From f1a19e517083a01079a63e4e16ba462a66b4ba91 Mon Sep 17 00:00:00 2001 From: s-a-malik <52804002+s-a-malik@users.noreply.github.com> Date: Fri, 30 Jan 2026 12:23:21 +0000 Subject: [PATCH] arxiv paper --- .github/workflows/ci.yml | 53 + .gitignore | 19 + .python-version | 1 + Makefile | 45 + README.md | 171 +- .../chemeleon_diversity_planner_comp.yaml | 24 + .../agent/chemeleon_generative_baseline.yaml | 23 + configs/agent/chemeleon_llm_planner.yaml | 24 + .../chemeleon_mlip_ranking_chain_filter.yaml | 21 + configs/agent/filter/chain.yaml | 11 + configs/agent/filter/min_distance.yaml | 3 + configs/agent/filter/noop.yaml | 2 + configs/agent/filter/smact.yaml | 2 + configs/agent/filter/uniqueness.yaml | 6 + configs/agent/generator/cached.yaml | 15 + configs/agent/generator/chemeleon.yaml | 5 + configs/agent/generator/random.yaml | 6 + configs/agent/llm_react_orchestrator.yaml | 121 + configs/agent/planner/diversity.yaml | 14 + configs/agent/planner/grid_search.yaml | 31 + configs/agent/planner/iterative.yaml | 9 + configs/agent/planner/llm.yaml | 50 + configs/agent/planner/random.yaml | 6 + configs/agent/planner/ucb.yaml | 11 + configs/agent/random_generator_baseline.yaml | 17 + ...ndom_generator_diversity_planner_comp.yaml | 21 + .../agent/random_generator_llm_planner.yaml | 19 + configs/agent/scorer/chain.yaml | 26 + configs/agent/scorer/diversity.yaml | 5 + configs/agent/scorer/llm.yaml | 35 + configs/agent/scorer/oracle.yaml | 18 + configs/agent/scorer/random.yaml | 4 + configs/config.yaml | 32 + configs/dataset/phase_diagram.yaml | 12 + configs/environment/convex_hull.yaml | 27 + configs/logger/wandb.yaml | 5 + configs/oracle/analytic.yaml | 14 + configs/oracle/mace.yaml | 27 + configs/oracle/orb.yaml | 17 + ...-02-07-mp-elemental-reference-entries.json | 1 + data/2025-02-01-mp-energies.csv | 154719 +++++++++++++++ ...ry_n10_maxatoms20_intermetallic_smact.json | 62 + ...ry_n10_maxatoms20_intermetallic_smact.json | 72 + ...ry_n10_maxatoms20_intermetallic_smact.json | 52 + made/__init__.py | 9 + made/agents/README.md | 393 + made/agents/__init__.py | 17 + made/agents/base.py | 453 + made/agents/filters/__init__.py | 13 + made/agents/filters/chain.py | 131 + made/agents/filters/min_distance.py | 73 + made/agents/filters/noop.py | 34 + made/agents/filters/smact.py | 58 + made/agents/filters/uniqueness.py | 124 + made/agents/generators/__init__.py | 9 + made/agents/generators/cached.py | 290 + made/agents/generators/chemeleon.py | 148 + made/agents/generators/random.py | 89 + made/agents/llm_react_orchestrator.py | 1378 + made/agents/planners/__init__.py | 7 + made/agents/planners/grid_search.py | 787 + made/agents/planners/llm.py | 198 + made/agents/scorers/__init__.py | 13 + made/agents/scorers/chain.py | 246 + made/agents/scorers/diversity.py | 134 + made/agents/scorers/llm.py | 186 + made/agents/scorers/oracle.py | 321 + made/agents/scorers/random.py | 34 + made/agents/workflow.py | 53 + made/data/__init__.py | 5 + made/data/chemical_system.py | 168 + made/envs/__init__.py | 5 + made/envs/base.py | 52 + made/envs/convex_hull.py | 841 + made/evaluation/__init__.py | 19 + made/evaluation/metrics.py | 1575 + made/oracles/__init__.py | 11 + made/oracles/ase_potential.py | 231 + made/oracles/base.py | 96 + made/oracles/classic/__init__.py | 0 made/oracles/classic/analytic.py | 46 + made/oracles/mace/__init__.py | 3 + made/oracles/mace/mace_oracle.py | 117 + made/oracles/orb/__init__.py | 0 made/oracles/orb/orb_oracle.py | 138 + made/oracles/qe/__init__.py | 0 made/oracles/qe/qe_oracle.py | 3 + made/utils/__init__.py | 5 + made/utils/agent_utils.py | 51 + made/utils/convex_hull_utils.py | 134 + made/utils/llm.py | 200 + made/utils/structure_hash.py | 59 + notebooks/basic_analysis.ipynb | 158 + notebooks/results_analysis_utils.py | 536 + pyproject.toml | 97 + scripts/generate_systems.py | 445 + scripts/run_baseline_experiments.py | 479 + scripts/run_baseline_experiments_modal.py | 533 + scripts/run_benchmark.py | 635 + scripts/run_multi_systems.py | 340 + tests/dummy_test.py | 2 + uv.lock | 5873 + 102 files changed, 173909 insertions(+), 4 deletions(-) create mode 100644 .github/workflows/ci.yml create mode 100644 .python-version create mode 100644 Makefile create mode 100644 configs/agent/chemeleon_diversity_planner_comp.yaml create mode 100644 configs/agent/chemeleon_generative_baseline.yaml create mode 100644 configs/agent/chemeleon_llm_planner.yaml create mode 100644 configs/agent/chemeleon_mlip_ranking_chain_filter.yaml create mode 100644 configs/agent/filter/chain.yaml create mode 100644 configs/agent/filter/min_distance.yaml create mode 100644 configs/agent/filter/noop.yaml create mode 100644 configs/agent/filter/smact.yaml create mode 100644 configs/agent/filter/uniqueness.yaml create mode 100644 configs/agent/generator/cached.yaml create mode 100644 configs/agent/generator/chemeleon.yaml create mode 100644 configs/agent/generator/random.yaml create mode 100644 configs/agent/llm_react_orchestrator.yaml create mode 100644 configs/agent/planner/diversity.yaml create mode 100644 configs/agent/planner/grid_search.yaml create mode 100644 configs/agent/planner/iterative.yaml create mode 100644 configs/agent/planner/llm.yaml create mode 100644 configs/agent/planner/random.yaml create mode 100644 configs/agent/planner/ucb.yaml create mode 100644 configs/agent/random_generator_baseline.yaml create mode 100644 configs/agent/random_generator_diversity_planner_comp.yaml create mode 100644 configs/agent/random_generator_llm_planner.yaml create mode 100644 configs/agent/scorer/chain.yaml create mode 100644 configs/agent/scorer/diversity.yaml create mode 100644 configs/agent/scorer/llm.yaml create mode 100644 configs/agent/scorer/oracle.yaml create mode 100644 configs/agent/scorer/random.yaml create mode 100644 configs/config.yaml create mode 100644 configs/dataset/phase_diagram.yaml create mode 100644 configs/environment/convex_hull.yaml create mode 100644 configs/logger/wandb.yaml create mode 100644 configs/oracle/analytic.yaml create mode 100644 configs/oracle/mace.yaml create mode 100644 configs/oracle/orb.yaml create mode 100644 data/2023-02-07-mp-elemental-reference-entries.json create mode 100644 data/2025-02-01-mp-energies.csv create mode 100644 data/systems_10_mp_20/systems_quaternary_n10_maxatoms20_intermetallic_smact.json create mode 100644 data/systems_10_mp_20/systems_quinary_n10_maxatoms20_intermetallic_smact.json create mode 100644 data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json create mode 100644 made/__init__.py create mode 100644 made/agents/README.md create mode 100644 made/agents/__init__.py create mode 100644 made/agents/base.py create mode 100644 made/agents/filters/__init__.py create mode 100644 made/agents/filters/chain.py create mode 100644 made/agents/filters/min_distance.py create mode 100644 made/agents/filters/noop.py create mode 100644 made/agents/filters/smact.py create mode 100644 made/agents/filters/uniqueness.py create mode 100644 made/agents/generators/__init__.py create mode 100644 made/agents/generators/cached.py create mode 100644 made/agents/generators/chemeleon.py create mode 100644 made/agents/generators/random.py create mode 100644 made/agents/llm_react_orchestrator.py create mode 100644 made/agents/planners/__init__.py create mode 100644 made/agents/planners/grid_search.py create mode 100644 made/agents/planners/llm.py create mode 100644 made/agents/scorers/__init__.py create mode 100644 made/agents/scorers/chain.py create mode 100644 made/agents/scorers/diversity.py create mode 100644 made/agents/scorers/llm.py create mode 100644 made/agents/scorers/oracle.py create mode 100644 made/agents/scorers/random.py create mode 100644 made/agents/workflow.py create mode 100644 made/data/__init__.py create mode 100644 made/data/chemical_system.py create mode 100644 made/envs/__init__.py create mode 100644 made/envs/base.py create mode 100644 made/envs/convex_hull.py create mode 100644 made/evaluation/__init__.py create mode 100644 made/evaluation/metrics.py create mode 100644 made/oracles/__init__.py create mode 100644 made/oracles/ase_potential.py create mode 100644 made/oracles/base.py create mode 100644 made/oracles/classic/__init__.py create mode 100644 made/oracles/classic/analytic.py create mode 100644 made/oracles/mace/__init__.py create mode 100644 made/oracles/mace/mace_oracle.py create mode 100644 made/oracles/orb/__init__.py create mode 100644 made/oracles/orb/orb_oracle.py create mode 100644 made/oracles/qe/__init__.py create mode 100644 made/oracles/qe/qe_oracle.py create mode 100644 made/utils/__init__.py create mode 100644 made/utils/agent_utils.py create mode 100644 made/utils/convex_hull_utils.py create mode 100644 made/utils/llm.py create mode 100644 made/utils/structure_hash.py create mode 100644 notebooks/basic_analysis.ipynb create mode 100644 notebooks/results_analysis_utils.py create mode 100644 pyproject.toml create mode 100644 scripts/generate_systems.py create mode 100644 scripts/run_baseline_experiments.py create mode 100644 scripts/run_baseline_experiments_modal.py create mode 100644 scripts/run_benchmark.py create mode 100644 scripts/run_multi_systems.py create mode 100644 tests/dummy_test.py create mode 100644 uv.lock diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml new file mode 100644 index 0000000..0f7c8f8 --- /dev/null +++ b/.github/workflows/ci.yml @@ -0,0 +1,53 @@ +name: CI + +on: + pull_request: + branches: [ "*" ] + +jobs: + test: + runs-on: ubuntu-latest + strategy: + matrix: + python-version: ["3.12"] + + steps: + - uses: actions/checkout@v4 + + - name: Install uv + uses: astral-sh/setup-uv@v4 + with: + enable-cache: true + + - name: Set up Python ${{ matrix.python-version }} + run: uv python install ${{ matrix.python-version }} + + - name: Install dependencies + run: uv sync --all-extras + + - name: Lint with ruff + run: | + uv run ruff check src/ + uv run ruff format --check src/ + + - name: Check import sorting + run: uv run isort --check-only src/ + + - name: Check code formatting with black + run: uv run black --check src/ + + - name: Run tests with pytest + run: uv run pytest --cov=src --cov-report=xml --cov-report=term-missing + + - name: Upload coverage to Codecov + uses: codecov/codecov-action@v4 + with: + file: ./coverage.xml + flags: unittests + name: codecov-umbrella + fail_ci_if_error: false + + - name: Upload coverage reports to Codecov + uses: codecov/codecov-action@v4 + env: + CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} \ No newline at end of file diff --git a/.gitignore b/.gitignore index b7faf40..df375fb 100644 --- a/.gitignore +++ b/.gitignore @@ -205,3 +205,22 @@ cython_debug/ marimo/_static/ marimo/_lsp/ __marimo__/ + +.DS_Store +results/ + +*.cif +*.zip +*.extxyz +*.json.gz +*.json +*.pdf + +wandb/ + +# checkpoints +*.ckpt + +# include data +!data/* +!data/*/* \ No newline at end of file diff --git a/.python-version b/.python-version new file mode 100644 index 0000000..e4fba21 --- /dev/null +++ b/.python-version @@ -0,0 +1 @@ +3.12 diff --git a/Makefile b/Makefile new file mode 100644 index 0000000..cc34277 --- /dev/null +++ b/Makefile @@ -0,0 +1,45 @@ +install: + @command -v uv >/dev/null 2>&1 || { echo "uv is not installed. Installing uv..."; curl -LsSf https://astral.sh/uv/0.6.12/install.sh | sh; source $HOME/.local/bin/env; } + uv sync --all-extras + +# Linting and formatting +lint: + uv run ruff check src/ + uv run ruff format --check src/ + +lint-fix: + uv run ruff check --fix src/ + uv run ruff format src/ + uv run isort src/ + +format: + uv run black src/ + uv run isort src/ + uv run ruff format src/ + +check: + uv run ruff check src/ + uv run black --check src/ + uv run isort --check-only src/ + +# Testing +test: + uv run pytest + +test-cov: + uv run pytest --cov=src --cov-report=html --cov-report=term-missing + +test-cov-xml: + uv run pytest --cov=src --cov-report=xml --cov-report=term-missing + +# Clean up +clean: + rm -rf build/ + rm -rf dist/ + rm -rf *.egg-info/ + rm -rf .pytest_cache/ + rm -rf .coverage + rm -rf htmlcov/ + rm -rf coverage.xml + find . -type d -name __pycache__ -exec rm -rf {} + + find . -type f -name "*.pyc" -delete \ No newline at end of file diff --git a/README.md b/README.md index 5fe5d46..9a4cb73 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,169 @@ -# MADE +# MADE: MAterials Discovery Environments -Code to accompany _Towards Dynamic Benchmarks for -Agentic Materials Discovery_ (NeurIPS 2025 AI4Materials Workshop Paper). +This is the official code repository for the paper: -Updated benchmark code will be deposited here shortly. +> **MADE: Benchmark Environments for Closed-Loop Materials Discovery** +> [Arxiv Preprint](https://arxiv.org/abs/2601.20996) +> [NeurIPS AI4Mat 2025 Workshop Paper](https://openreview.net/pdf?id=Cfj7uBu5dy) + +## Overview + +MADE (MAterials Discovery Environments) provides dynamic benchmark environments +for evaluating end-to-end autonomous materials discovery pipelines. MADE simulates closed-loop +discovery campaigns where agents propose, evaluate, and refine candidate materials +under constrained oracle budgets. + +## Key Features + +- **Closed-loop evaluation**: Agents iteratively propose structures and receive feedback +- **Modular agents**: Compose generators, planners, scorers, and filters +- **Flexible environments**: Define your own convex hull discovery tasks with any oracle. +- **Discovery metrics**: AF, EF, AUDC, mSUN for comparing strategies + +## Installation + +Install dependencies using [uv](https://docs.astral.sh/uv/): + +```bash +uv sync +``` + +Set up API keys or add to .env file: + +```bash +export MATERIALS_PROJECT_API_KEY=your_key +export WANDB_API_KEY=your_key # optional +export ANTHROPIC_API_KEY=your_key # for Anthropic agents +export OPENAI_API_KEY=your_key # for OpenAI agents +``` + +Add these API keys to Modal secrets too if running on Modal. + +Update the wandb entity in `configs/logger/wandb.yaml` to your wandb username/team if you want to save progress to wandb. Otherwise, set `use_wandb: false`. + +## Quick Start + +```bash +# Run a single benchmark locally (Li-O system, random agent, ORB oracle, 3 episodes, 5 queries) +uv run scripts/run_benchmark.py + +# Run on Modal (parallel episodes) +uv run scripts/run_benchmark.py experiment.infra=modal + +# Run with custom config +uv run scripts/run_benchmark.py dataset.elements='[Fe,O]' experiment.num_episodes=5 +``` + +## Architecture + +- **Environment** (`ConvexHullEnvironment`): Defines discovery task on a phase diagram +- **Oracle** (ORB, MACE, Analytic): Evaluates formation energy of proposed structures +- **Agent**: Pipeline or Orchestrator for that proposes structures for evaluation. See `src/made/agents/README.md` for more details on available agents and extending. + +All environment, oracle, and agent components are defined via Hydra config files in `configs/`. These can be combined in a variety of ways to create different agents and environments. + +## Running Baseline Experiments + +We provide the configs used to run the baseline experiments in the paper in the agents config folder. These can be run using the scripts in `scripts/`. For example: + +```bash +# Local (sequential) +uv run scripts/run_baseline_experiments.py \ + --agent-configs "random_generator_baseline chemeleon_generative_baseline" \ + --systems-file ./data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json + +# Modal (parallel) +uv run modal run --detach scripts/run_baseline_experiments_modal.py \ + --agent-configs "random_generator_baseline chemeleon_generative_baseline" \ + --systems-file ./data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json +``` + +to run the random generator and chemeleon generative baseline on ternary intermetallic systems. + +This will save results to `./results/baselines/`, or on a Modal volume if running on Modal. + +## Results Format + +### Single Run (`run_benchmark.py`) + +```text +results/--/ +├── .hydra/ # Hydra config files +│ ├── config.yaml # Full resolved config +│ └── overrides.yaml # CLI overrides used +├── trajectories/ +│ ├── episode_000.json # Full trajectory for episode 0 +│ ├── episode_001.json # Full trajectory for episode 1 +│ └── phase_diagram_*.png # Phase diagram visualizations +├── summary/ +│ ├── summary.json # Aggregated metrics (mean/std across episodes) +│ ├── episodes.json # Per-episode metrics +│ ├── episodes.csv # Per-episode metrics (CSV format) +│ └── phase_diagram_gt.png # Ground truth phase diagram +└── run_benchmark.log # Execution log +``` + +### Baseline Experiments (`run_baseline_experiments.py`) + +```text +results/baselines_/ +└── __systems_queries_stabilitymeV/ + ├── experiment_metadata.json # Experiment configuration + ├── progress.json # Progress tracking (status, completed systems) + ├── overall_summary/ # Aggregated metrics across all systems + │ ├── summary.json # Summary statistics (mean/std/sem) + │ └── per_system_summary.csv # Per-system breakdown + └── systems/ + └── / # e.g., Co-Mg-Na + ├── trajectories/ + │ ├── episode_000.json + │ ├── episode_001.json + │ └── phase_diagram_episode_*.png + └── summary/ + ├── summary.json + ├── episodes.json + ├── episodes.csv + └── phase_diagram_gt.png +``` + +### Analyzing Results + +See `notebooks/basic_analysis.ipynb` for a basic example of loading and analyzing results from a single benchmark run. `notebooks/results_analysis_utils.py` contains utility functions for loading and analyzing results from a single benchmark run and comparing baseline experiments. + +## Generating Systems + +We provide the scripts to generate the systems used in the baseline experiments in `scripts/generate_systems.py`. For example: + +```bash +uv run scripts/generate_systems.py --output-dir ./data/systems_10_mp_20 --filter-by-smact --system-sizes [3,4,5] --only-intermetallics +``` + +to generate the systems used in the baseline experiments. + +## Extending MADE + +MADE is designed to be extensible. You can create custom components by subclassing the base classes and adding Hydra configs: + +- **Oracles**: Subclass `Oracle` from `made.oracles.base`, implement `evaluate(structure) -> dict` +- **Environments**: Subclass `Environment` from `made.envs.base`, implement `reset()`, `step()`, `get_state()` +- **Agents**: See `src/made/agents/README.md` for detailed documentation on creating new agents and components (planners, generators, filters, scorers) + +## License + +MIT License - see [LICENSE](LICENSE) + +## Citation + +If you use MADE in your research, please cite our paper: + +```bibtex +@misc{malik2026made, + title={MADE: Benchmark Environments for Closed-Loop Materials Discovery}, + author={Shreshth A Malik and Tiarnan Doherty and Panagiotis Tigas and Muhammed Razzak and Stephen J. Roberts and Aron Walsh and Yarin Gal}, + year={2026}, + eprint={2601.20996}, + archivePrefix={arXiv}, + primaryClass={cs.LG}, + url={https://arxiv.org/abs/2601.20996}, +} +``` diff --git a/configs/agent/chemeleon_diversity_planner_comp.yaml b/configs/agent/chemeleon_diversity_planner_comp.yaml new file mode 100644 index 0000000..dc03da0 --- /dev/null +++ b/configs/agent/chemeleon_diversity_planner_comp.yaml @@ -0,0 +1,24 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: diversity + - generator: cached + - filter: noop + - scorer: random + +planner: + max_stoichiometry: 20 + num_compositions: 1 + num_candidates: 32 + selection_strategy_kwargs: + mask_same_reduced_formula: false # include comparisons between compositions with same reduced formula + +generator: + num_initial_candidates: 32 + cache_by_composition: true + base_generator: + _target_: made.agents.generators.ChemeleonGenerator + task: csp + batch_size: 256 + device: cuda + output_dir: null diff --git a/configs/agent/chemeleon_generative_baseline.yaml b/configs/agent/chemeleon_generative_baseline.yaml new file mode 100644 index 0000000..ef7d416 --- /dev/null +++ b/configs/agent/chemeleon_generative_baseline.yaml @@ -0,0 +1,23 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: random + - generator: cached + - filter: noop + - scorer: random + +planner: + return_all_compositions: true + max_stoichiometry: 20 + +generator: + num_initial_candidates: 1024 + cache_by_composition: false + base_generator: + _target_: made.agents.generators.ChemeleonGenerator + task: csp + batch_size: 256 + device: cuda + output_dir: null + + diff --git a/configs/agent/chemeleon_llm_planner.yaml b/configs/agent/chemeleon_llm_planner.yaml new file mode 100644 index 0000000..ac1a5c5 --- /dev/null +++ b/configs/agent/chemeleon_llm_planner.yaml @@ -0,0 +1,24 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: llm + - generator: cached + - filter: noop + - scorer: random + +planner: + max_stoichiometry: 20 + num_compositions: 1 + num_candidates: 32 + +generator: + num_initial_candidates: 32 + cache_by_composition: true + base_generator: + _target_: made.agents.generators.ChemeleonGenerator + task: csp + batch_size: 256 + device: cuda + output_dir: null + + diff --git a/configs/agent/chemeleon_mlip_ranking_chain_filter.yaml b/configs/agent/chemeleon_mlip_ranking_chain_filter.yaml new file mode 100644 index 0000000..ed2f6b9 --- /dev/null +++ b/configs/agent/chemeleon_mlip_ranking_chain_filter.yaml @@ -0,0 +1,21 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: random + - generator: cached + - filter: chain + - scorer: oracle + +planner: + return_all_compositions: true + max_stoichiometry: 20 + +generator: + num_initial_candidates: 1024 + cache_by_composition: false + base_generator: + _target_: made.agents.generators.ChemeleonGenerator + task: csp + batch_size: 256 + device: cuda + output_dir: null diff --git a/configs/agent/filter/chain.yaml b/configs/agent/filter/chain.yaml new file mode 100644 index 0000000..e486841 --- /dev/null +++ b/configs/agent/filter/chain.yaml @@ -0,0 +1,11 @@ +_target_: made.agents.filters.FilterChain +filters: + - _target_: made.agents.filters.MinDistanceFilter + min_distance_threshold: 0.5 + - _target_: made.agents.filters.SMACTValidityFilter + - _target_: made.agents.filters.UniquenessFilter + ltol: 0.2 + stol: 0.3 + angle_tol: 5.0 + primitive_cell: true + diff --git a/configs/agent/filter/min_distance.yaml b/configs/agent/filter/min_distance.yaml new file mode 100644 index 0000000..8739919 --- /dev/null +++ b/configs/agent/filter/min_distance.yaml @@ -0,0 +1,3 @@ +_target_: made.agents.filters.MinDistanceFilter +min_distance_threshold: 0.5 + diff --git a/configs/agent/filter/noop.yaml b/configs/agent/filter/noop.yaml new file mode 100644 index 0000000..8195dbb --- /dev/null +++ b/configs/agent/filter/noop.yaml @@ -0,0 +1,2 @@ +_target_: made.agents.filters.NoOpFilter + diff --git a/configs/agent/filter/smact.yaml b/configs/agent/filter/smact.yaml new file mode 100644 index 0000000..ad89ba9 --- /dev/null +++ b/configs/agent/filter/smact.yaml @@ -0,0 +1,2 @@ +_target_: made.agents.filters.SMACTValidityFilter + diff --git a/configs/agent/filter/uniqueness.yaml b/configs/agent/filter/uniqueness.yaml new file mode 100644 index 0000000..926791d --- /dev/null +++ b/configs/agent/filter/uniqueness.yaml @@ -0,0 +1,6 @@ +_target_: made.agents.filters.UniquenessFilter +ltol: 0.2 +stol: 0.3 +angle_tol: 5.0 +primitive_cell: true + diff --git a/configs/agent/generator/cached.yaml b/configs/agent/generator/cached.yaml new file mode 100644 index 0000000..d1fc258 --- /dev/null +++ b/configs/agent/generator/cached.yaml @@ -0,0 +1,15 @@ +_target_: made.agents.generators.CachedGenerator + +# Number of candidates to generate and cache initially +num_initial_candidates: 1024 + +# Whether to maintain separate cache per composition (True) or global cache (False) +cache_by_composition: false + +# Base generator to use for creating candidates de novo +base_generator: + _target_: made.agents.generators.ChemeleonGenerator + task: csp + batch_size: 32 + device: cuda + output_dir: null diff --git a/configs/agent/generator/chemeleon.yaml b/configs/agent/generator/chemeleon.yaml new file mode 100644 index 0000000..8b3eafc --- /dev/null +++ b/configs/agent/generator/chemeleon.yaml @@ -0,0 +1,5 @@ +_target_: made.agents.generators.ChemeleonGenerator +task: csp # "csp" for Crystal Structure Prediction or "dng" for De Novo Generation +batch_size: 32 +device: cuda # "cpu" or "cuda" +output_dir: null diff --git a/configs/agent/generator/random.yaml b/configs/agent/generator/random.yaml new file mode 100644 index 0000000..2a1083c --- /dev/null +++ b/configs/agent/generator/random.yaml @@ -0,0 +1,6 @@ +_target_: made.agents.generators.RandomGenerator +lattice_length_range: [3.0, 15.0] +lattice_angle_range: [60.0, 120.0] +seed: null + + diff --git a/configs/agent/llm_react_orchestrator.yaml b/configs/agent/llm_react_orchestrator.yaml new file mode 100644 index 0000000..27b5e79 --- /dev/null +++ b/configs/agent/llm_react_orchestrator.yaml @@ -0,0 +1,121 @@ +# LLM ReAct Orchestrator Agent Configuration +# +# This agent uses DSPy's ReAct to orchestrate various generators, filters, and scorers. +# It maintains a buffer of pre-validated candidates and decides what actions to take +# at each step: generate more structures, score them, query for specific criteria, or select. +# +# Key features: +# - All generated structures are filtered before adding to buffer +# - Uniqueness filter always re-run on new generations (can't be cached) +# - Flexible buffer queries (topk, bottomk, diverse, by composition) +# - Caching of structure hashes to avoid duplicate processing + +_target_: made.agents.LLMReActOrchestratorAgent + +defaults: + # scorers + - /agent/scorer@scorers.diversity: diversity + - /agent/scorer@scorers.random: random + - /agent/scorer@scorers.llm: llm + - /agent/scorer@scorers.oracle: oracle + + # generators + - /agent/generator@generators.chemeleon: chemeleon + - /agent/generator@generators.random: random + + +# Static filters - applied automatically after generation (using chain format) +# These can be cached - results don't change based on state +static_filters: + _target_: made.agents.filters.FilterChain + filters: + - _target_: made.agents.filters.MinDistanceFilter + min_distance_threshold: 0.5 + - _target_: made.agents.filters.SMACTValidityFilter + +# Uniqueness filter configuration (always re-run, not cached) +# Set to null to disable uniqueness checking +uniqueness_filter: + _target_: made.agents.filters.UniquenessFilter + ltol: 0.2 + stol: 0.3 + angle_tol: 5.0 + primitive_cell: true + + +# LLM configuration for DSPy +llm_config: + model: "openai/gpt-5.1" # anthropic/claude-sonnet-4-5-20250929 + cache: false + max_output_tokens: null + temperature: null + +# Context configuration with customizable prompts +context_config: + # Whether to include full structure details in evaluation history + # Shows complete structure: lattice parameters, all atomic species and positions + # Helps LLM learn structural patterns from past discoveries + include_structure_in_history: true + + # Whether to include full structure details in known stable materials from phase diagram + # Shows complete structure: lattice parameters, all atomic species and positions + # Helps LLM understand what stable structures already exist + include_structure_in_known_materials: false + + # Main ReAct orchestration prompt + orchestration_prompt: | + You are an autonomous materials discovery agent. + + OBJECTIVE: Find as many NOVEL, UNIQUE, STABLE (or metastable) structures as possible. Use the available tools, then select ONE composition + structure for oracle evaluation. + + - Structures with e_above_hull <= stability_tolerance are stable/metastable (SUCCESS!) + - Entries marked [STABLE, NOVEL] in evaluation_history are successful discoveries + - We want to MAXIMIZE the number of novel stable structures found + + IMPORTANT: Different structures for the SAME composition can have DIFFERENT stabilities. + - One unstable structure for a composition does NOT mean all structures for that composition are unstable. + - Generators produce many different structures for the same composition + + UNIT CELL SIZE MATTERS: + - Compositions are stored by REDUCED formula (e.g., Li2O) + - But you can generate different UNIT CELL SIZES: Li2O, Li4O2, Li6O3, etc. + - These occupy the same position on the phase diagram but are different structures + - Different unit cell sizes often have different stabilities + + BUFFER ORGANIZATION: + - Buffer is organized by reduced formula: {composition: [structures]} + - Each structure shows its full formula (unit cell size) and index + - Selection is two-step: pick composition, then pick structure index + + WORKFLOW: + 1. Decide which composition(s) to explore based on evaluation history + 2. Generate/create candidate structures for those compositions + 3. Score candidates if needed to prioritize within each composition + 4. List compositions and query structures to decide what to evaluate + 5. Select ONE composition + structure for oracle evaluation + + STRATEGY GUIDANCE: + - If buffer empty/small: Generate more structures (diverse compositions OR more for promising ones) + - If buffer has candidates: Score them, query compositions, select best + - Balance exploration (new compositions) vs exploitation (more structures for successful compositions) + + +# Enabled tools (list of tool names) +# Available: generate_structures, create_structure, score_buffer, list_compositions, query_structures, get_buffer_stats, select_for_evaluation +enabled_tools: + - generate_structures # Generate structures using generators + - create_structure # LLM can create structures directly by specifying lattice + sites + - score_buffer # Score structures in buffer (all or by composition) + - list_compositions # List compositions with counts and optional scores + - query_structures # Query structures within a specific composition + - get_buffer_stats # Get detailed buffer statistics + - select_for_evaluation # Select composition + structure for oracle evaluation + +# ReAct configuration +max_iters: 10 # Maximum iterations per step + +# Constraints +max_stoichiometry: 20 + +# History settings +max_history_length: 20 # Max evaluation history entries to show LLM diff --git a/configs/agent/planner/diversity.yaml b/configs/agent/planner/diversity.yaml new file mode 100644 index 0000000..2df3245 --- /dev/null +++ b/configs/agent/planner/diversity.yaml @@ -0,0 +1,14 @@ +_target_: made.agents.planners.grid_search.GridSearchPlanner +max_stoichiometry: 20 +num_compositions: 1 +num_candidates: 32 +seed: null +selection_strategy: "diversity" # uses GridSearchPlanner with diversity selection strategy +selection_strategy_kwargs: + distance_metric: euclidean # euclidean | manhattan | cosine + unattempted_weight: 5.0 + attempt_weight_factor: 0.7 + failure_weight_factor: 0.3 + mask_same_reduced_formula: true + + diff --git a/configs/agent/planner/grid_search.yaml b/configs/agent/planner/grid_search.yaml new file mode 100644 index 0000000..98b8480 --- /dev/null +++ b/configs/agent/planner/grid_search.yaml @@ -0,0 +1,31 @@ +_target_: made.agents.planners.grid_search.GridSearchPlanner + +# Basic parameters +max_stoichiometry: 20 # maximum number of atoms in compositions +num_compositions: 1 # number of compositions to generate per step +num_candidates: 32 # number of structures to tell the generator to generate for each composition +seed: null # random seed for reproducibility +score_function: "e_above_hull" # "energy_per_atom", "formation_energy_per_atom", "e_above_hull" +filter_by_smact_validity: true # if true, only enumerate compositions that pass SMACT validity checks +return_all_compositions: false # if true, return all valid compositions in plan (useful with cached generator, ignores selection strategy) + +# Strategy selection - choose one of: +# "random", "ucb", "unexplored", "iterative" or "diversity" +selection_strategy: "random" + +# Strategy-specific parameters +selection_strategy_kwargs: + # For ucb strategies: + exploration_factor: 1.0 # balance between exploration and exploitation + ucb_reward: "failure_rate" # "success_rate", "failure_rate" (1 - success_rate), "best_score" (which uses the score function) + + # For iterative and random strategies: + max_attempts_per_composition: 5 # filter out compositions tried N times + move_on_success: true # filter out compositions with a stable configuration + + # For diversity strategy: + distance_metric: "euclidean" + unattempted_weight: 5.0 + attempt_weight_factor: 0.7 + failure_weight_factor: 0.3 + mask_same_reduced_formula: true # exclude comparisons between compositions with same reduced formula \ No newline at end of file diff --git a/configs/agent/planner/iterative.yaml b/configs/agent/planner/iterative.yaml new file mode 100644 index 0000000..513c304 --- /dev/null +++ b/configs/agent/planner/iterative.yaml @@ -0,0 +1,9 @@ +_target_: made.agents.planners.grid_search.GridSearchPlanner +max_stoichiometry: 20 +num_compositions: 1 +num_candidates: 32 +seed: null +selection_strategy: "iterative" +selection_strategy_kwargs: + max_attempts_per_composition: 5 + move_on_success: true diff --git a/configs/agent/planner/llm.yaml b/configs/agent/planner/llm.yaml new file mode 100644 index 0000000..2946236 --- /dev/null +++ b/configs/agent/planner/llm.yaml @@ -0,0 +1,50 @@ +_target_: made.agents.planners.llm.LLMPlanner + +max_stoichiometry: 20 +num_compositions: 1 +num_candidates: 32 + +# Context window management - random sample if exceeded +max_context_entries: 20 # Max history entries to show LLM (null = no limit) + +llm_config: + model: openai/gpt-5.1 # anthropic/claude-sonnet-4-5-20250929 + max_output_tokens: null + temperature: null + cache: false # cache responses in dspy + +# how to parse the state for the LLM +context_config: + objective_prompt: | + You are a planner for a material discovery experiment. Your goal is to discover as many NOVEL, UNIQUE, STABLE (or metastable) structures as possible. + + CRITICAL CONSTRAINT: You MUST ONLY use elements from the provided 'elements' list in your compositions. And you MUST ONLY propose compositions that are within the max_stoichiometry. + - Example: If elements=['Li', 'O'], you can propose Li2O, LiO2, etc., but NOT Na2O, Fe2O3, etc. + - Example: If max_stoichiometry=20, you can propose Li2O, LiO2, etc., but NOT Li19O19. + + DEFINITIONS: + - STABLE/METASTABLE: Structures with e_above_hull <= stability_tolerance. + - NOVEL: Not already known on the convex hull (is_newly_discovered=True). + - UNIQUE: Structurally distinct from previously evaluated structures. + - Entries marked is_stable_or_metastable=True with is_newly_discovered=True are successful discoveries. + + PHASE DIAGRAM CONCEPTS: + - Reduced formulas (e.g., Li2O) represent UNIQUE POINTS on the phase diagram. + - Different reduced compositions = different phase diagram points → PRIORITIZE DIVERSE reduced compositions for broad coverage. + + STRUCTURE DIVERSITY AT SAME COMPOSITION: + - Multiple DIFFERENT structures can exist at the SAME reduced composition (same phase diagram point) + - Different structures for the SAME composition can have DIFFERENT stabilities (one unstable doesn't mean all are!) + - Different unit cell sizes (Li2O vs Li4O2) create different structures but occupy the SAME phase diagram point + + STRATEGY: + - Explore diverse reduced compositions (different phase diagram points) to maximize phase diagram coverage. + - If a reduced composition has yielded stable/metastable NOVEL structures, consider proposing MORE unit cell sizes for it as additional stable polymorphs may exist. + - Compositions with only [unstable] entries may still have stable structures. + - Balance exploration (new reduced compositions) vs exploitation (trying to find stable structures for compositions with only [unstable] entries) + + Propose FULL formulas with specific unit cell sizes (e.g., Li2O, Li4O2, LiO2) not just reduced formulas. + include_structure_info: true # whether to include structure information in the context + include_composition_counter: true # whether to include composition counter in the context + include_recent_trial: true # whether to include recent trial in the context + previous_observations: 1 # Number of recent observations to include in LLM context diff --git a/configs/agent/planner/random.yaml b/configs/agent/planner/random.yaml new file mode 100644 index 0000000..e87fb33 --- /dev/null +++ b/configs/agent/planner/random.yaml @@ -0,0 +1,6 @@ +_target_: made.agents.planners.grid_search.GridSearchPlanner +max_stoichiometry: 20 +num_compositions: 8 # number of compositions to generate +num_candidates: 32 # number of structures to generate for each composition (total number of structures is num_compositions * num_candidates) +seed: null +selection_strategy: "random" # uses GridSearchPlanner with random selection strategy diff --git a/configs/agent/planner/ucb.yaml b/configs/agent/planner/ucb.yaml new file mode 100644 index 0000000..b6e7241 --- /dev/null +++ b/configs/agent/planner/ucb.yaml @@ -0,0 +1,11 @@ +_target_: made.agents.planners.grid_search.GridSearchPlanner +max_stoichiometry: 20 +num_compositions: 1 +num_candidates: 32 +seed: null +selection_strategy: "ucb" +selection_strategy_kwargs: + exploration_factor: 1.0 + ucb_reward: "failure_rate" + + diff --git a/configs/agent/random_generator_baseline.yaml b/configs/agent/random_generator_baseline.yaml new file mode 100644 index 0000000..bfc0a29 --- /dev/null +++ b/configs/agent/random_generator_baseline.yaml @@ -0,0 +1,17 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: random + - generator: cached + - filter: noop + - scorer: random + +planner: + return_all_compositions: true + max_stoichiometry: 20 + +generator: + num_initial_candidates: 1024 + cache_by_composition: false + base_generator: + _target_: made.agents.generators.RandomGenerator \ No newline at end of file diff --git a/configs/agent/random_generator_diversity_planner_comp.yaml b/configs/agent/random_generator_diversity_planner_comp.yaml new file mode 100644 index 0000000..673df59 --- /dev/null +++ b/configs/agent/random_generator_diversity_planner_comp.yaml @@ -0,0 +1,21 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: diversity + - generator: cached + - filter: noop + - scorer: random + +planner: + max_stoichiometry: 20 + num_compositions: 1 + num_candidates: 32 + selection_strategy_kwargs: + mask_same_reduced_formula: false # include comparisons between compositions with same reduced formula + +generator: + num_initial_candidates: 32 + cache_by_composition: true + base_generator: + _target_: made.agents.generators.RandomGenerator + diff --git a/configs/agent/random_generator_llm_planner.yaml b/configs/agent/random_generator_llm_planner.yaml new file mode 100644 index 0000000..6fda97c --- /dev/null +++ b/configs/agent/random_generator_llm_planner.yaml @@ -0,0 +1,19 @@ +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: llm + - generator: cached + - filter: noop + - scorer: random + +planner: + max_stoichiometry: 20 + num_compositions: 1 + num_candidates: 32 + +generator: + num_initial_candidates: 32 + cache_by_composition: true + base_generator: + _target_: made.agents.generators.RandomGenerator + diff --git a/configs/agent/scorer/chain.yaml b/configs/agent/scorer/chain.yaml new file mode 100644 index 0000000..0feaf0b --- /dev/null +++ b/configs/agent/scorer/chain.yaml @@ -0,0 +1,26 @@ +_target_: made.agents.scorers.ScorerChain + +# List of scorers to combine +scorers: + # Example: Combine energy-based scoring with diversity + - _target_: made.agents.scorers.OracleScorer + score_function: "e_above_hull" + enable_cache: true + rerank_on_state_change: true + defaults: + - /oracle@oracle: analytic + + - _target_: made.agents.scorers.CompositionDiversity + distance_metric: "euclidean" + +# Weights for each scorer (will be normalized to sum to 1) +# Default: equal weights [1.0, 1.0, ...] +weights: [0.7, 0.3] # 70% weight on energy, 30% on diversity + +# Combination method: "weighted_sum" or "pareto" +combination_method: "weighted_sum" # Use weighted sum to combine objectives + +# Whether to normalize each scorer's scores to [0, 1] before combination +# Default: true. Set to false if scores are already on comparable scales. +normalize_scores: true + diff --git a/configs/agent/scorer/diversity.yaml b/configs/agent/scorer/diversity.yaml new file mode 100644 index 0000000..bdb7ef2 --- /dev/null +++ b/configs/agent/scorer/diversity.yaml @@ -0,0 +1,5 @@ +_target_: made.agents.scorers.CompositionDiversity +distance_metric: euclidean +seed: null + + diff --git a/configs/agent/scorer/llm.yaml b/configs/agent/scorer/llm.yaml new file mode 100644 index 0000000..2f7b7f7 --- /dev/null +++ b/configs/agent/scorer/llm.yaml @@ -0,0 +1,35 @@ +_target_: made.agents.scorers.LLMScorer + +# LLM backend configuration (mirrors planner config) +llm_config: + model: openai/gpt-5.1 # anthropic/claude-sonnet-4-5-20250929 + max_output_tokens: null + temperature: null + cache: false + +# Context window management - random sample if exceeded +max_candidates: 50 # Max candidates to show LLM (null = no limit) +max_context_entries: 20 # Max history entries to show LLM (null = no limit) + +# How to summarize the state for the LLM selector +context_config: + objective_prompt: | + You are selecting one candidate structure to evaluate in a material discovery experiment next. + + OBJECTIVE: Find as many NOVEL, UNIQUE, STABLE (or metastable) structures as possible. Choose the best candidate structure index from the list of candidates. + - Structures with e_above_hull <= stability_tolerance are stable/metastable. + - NOVEL: Not already known on the convex hull (is_newly_discovered=True). + - UNIQUE: Structurally distinct from previously evaluated structures. + - Entries marked [STABLE, NOVEL] or is_stable_or_metastable=True with is_newly_discovered=True are successful discoveries. + + IMPORTANT: + - Multiple different structures can exist as stable/metastable polymorphs at the same composition + - One unstable structure for a composition does NOT mean all structures for that composition are unstable. + - Balance exploration (diverse structures) vs exploitation (unique structures similar to previously successful structures). + + + include_structure_info: true + include_composition_counter: true + include_recent_trial: true + previous_observations: 1 + diff --git a/configs/agent/scorer/oracle.yaml b/configs/agent/scorer/oracle.yaml new file mode 100644 index 0000000..6c9f33f --- /dev/null +++ b/configs/agent/scorer/oracle.yaml @@ -0,0 +1,18 @@ +_target_: made.agents.scorers.OracleScorer + +defaults: + # Choose the surrogate oracle independently of the environment's oracle + # This oracle is used for pre-ranking candidates (surrogate model) + # Choose using oracle@agent.scorer.oracle= + # Override specific options using agent.scorer.oracle.= + - /oracle@oracle: mace + +# what to score by +score_function: "e_above_hull" # "energy_per_atom", "formation_energy_per_atom", "e_above_hull" + +# Whether to cache surrogate results (enables efficient reranking for e_above_hull) +enable_cache: true + +# Whether to recompute scores when state changes (only relevant for e_above_hull) +# When enabled, reranks using cached energies without re-evaluating the surrogate +rerank_on_state_change: true diff --git a/configs/agent/scorer/random.yaml b/configs/agent/scorer/random.yaml new file mode 100644 index 0000000..ff7a5b6 --- /dev/null +++ b/configs/agent/scorer/random.yaml @@ -0,0 +1,4 @@ +_target_: made.agents.scorers.RandomSelector +seed: null + + diff --git a/configs/config.yaml b/configs/config.yaml new file mode 100644 index 0000000..3f0fe12 --- /dev/null +++ b/configs/config.yaml @@ -0,0 +1,32 @@ +defaults: + - agent: random_generator_baseline + - dataset: phase_diagram + - environment: convex_hull + - logger: wandb + - oracle: orb + - _self_ + +# Global experiment settings +experiment: + output_dir: ${hydra:run.dir} + num_episodes: 3 + seed: null + infra: local # local, modal + verbose: true # print info during episode + logging_level: INFO # DEBUG, INFO, WARNING, ERROR, CRITICAL + # for multi-system evaluation run_multi_systems.py + # List of chemical systems to evaluate (each a list of element symbols) + # Example: [[Co, Nb, Sn], [Li, O], [Si, Ge, Sn]] + systems: [] + # Alternatively, provide a JSON file containing [[El, El, ...], ...] + systems_file: null + # If set, limit the number of systems loaded from systems_file/systems + max_systems: 5 + +hydra: + run: + dir: ${hydra:runtime.cwd}/results/${now:%Y%m%d-%H%M%S}-${hydra:runtime.choices.oracle}-${hydra:runtime.choices.agent} + sweep: + dir: ${hydra.run.dir} + subdir: ${hydra.job.num} + diff --git a/configs/dataset/phase_diagram.yaml b/configs/dataset/phase_diagram.yaml new file mode 100644 index 0000000..fce2ed9 --- /dev/null +++ b/configs/dataset/phase_diagram.yaml @@ -0,0 +1,12 @@ +_target_: made.data.PhaseDiagramDataset + +# NOTE: The dataset provides RAW, UNFILTERED Materials Project data. +# Task-specific filtering (SMACT, max_stoichiometry, energy thresholds) +# is applied at the Environment level (see configs/environment/). + +# Elements for the chemical system +elements: + - Li + - O +# Optional: Materials Project thermo types (only filtering applied at dataset level) +thermo_types: [GGA_GGA+U] \ No newline at end of file diff --git a/configs/environment/convex_hull.yaml b/configs/environment/convex_hull.yaml new file mode 100644 index 0000000..d3bc9cc --- /dev/null +++ b/configs/environment/convex_hull.yaml @@ -0,0 +1,27 @@ +_target_: made.envs.ConvexHullEnvironment + +# NOTE: The environment applies TASK-SPECIFIC FILTERING to the raw dataset +# to define the "effective ground truth" for discovery. All metrics (recall, +# precision, novelty) are computed against this filtered ground truth. + +budget: 5 + +# dataset and oracle instances are provided by the application at call-site + +# Initialization mode +start_with_all_stable: true # false means start with elemental references only, true means start with all stable entries from MP +compute_elemental_from_oracle: true # if true, compute elemental reference energies using oracle from dataset structures + +# Stability thresholds +stability_tolerance: 0.1 # Energy tolerance (eV/atom) for considering a phase stable relative to the convex hull +include_near_stable_from_ground_truth: true # Include GT entries within stability_tolerance of the hull as stable + +# FILTERING: These filters define what phases are discoverable in this task +filter_by_smact: true # Filter out entries that don't pass SMACT validity checks (chemically implausible) +max_stoichiometry: 20 # Filter out entries with > N atoms per unit cell (null = no filtering) + +# StructureMatcher parameters for novelty detection +structure_matcher_ltol: 0.2 +structure_matcher_stol: 0.3 +structure_matcher_angle_tol: 5 +structure_matcher_primitive_cell: true \ No newline at end of file diff --git a/configs/logger/wandb.yaml b/configs/logger/wandb.yaml new file mode 100644 index 0000000..310c7cc --- /dev/null +++ b/configs/logger/wandb.yaml @@ -0,0 +1,5 @@ +use_wandb: true +wandb_project: "made-benchmark" +wandb_entity: your-wandb-username # Set to your wandb username/team +wandb_run_name: null # Optionally set a unique run name for the benchmark +wandb_tags: ["benchmark"] \ No newline at end of file diff --git a/configs/oracle/analytic.yaml b/configs/oracle/analytic.yaml new file mode 100644 index 0000000..0c77cf0 --- /dev/null +++ b/configs/oracle/analytic.yaml @@ -0,0 +1,14 @@ +_target_: made.oracles.AnalyticOracle + +model_name: lj # lennard-jones +element_reference_energies_path: ./data/2023-02-07-mp-elemental-reference-entries.json +relax: true +relax_kwargs: + optimizer: fire + fmax: 0.02 + steps: 500 + relax_unit_cell: true + +# Number of worker threads for parallel evaluation (1 = sequential, >1 = parallel) +# Structures will be automatically batched across workers +num_workers: 1 \ No newline at end of file diff --git a/configs/oracle/mace.yaml b/configs/oracle/mace.yaml new file mode 100644 index 0000000..c552b08 --- /dev/null +++ b/configs/oracle/mace.yaml @@ -0,0 +1,27 @@ +_target_: made.oracles.MACEOracle +# Model type: "mp" (Materials Project), "off" (Organic Force Field), or "custom" +model_name: mp +# Model size: "small", "medium", "large", or custom model name +model: medium +# Device: "auto", "cpu", or "cuda" +device: auto +# Default dtype: "float32" or "float64" +default_dtype: float32 +# Whether to include dispersion correction (for mace_mp only) +dispersion: false +# Path to custom model file (required if model_type is "custom") +# model_path: null +# Use MP reference energies if available (from MatBench Discovery) +element_reference_energies_path: ./data/2023-02-07-mp-elemental-reference-entries.json +# Use dataset elements unless explicitly overridden +relax: true +relax_kwargs: + optimizer: fire + fmax: 0.02 + steps: 500 + relax_unit_cell: true + +# Number of worker threads for parallel evaluation (1 = sequential, >1 = parallel) +# Structures will be automatically batched across workers +num_workers: 1 + diff --git a/configs/oracle/orb.yaml b/configs/oracle/orb.yaml new file mode 100644 index 0000000..b92721b --- /dev/null +++ b/configs/oracle/orb.yaml @@ -0,0 +1,17 @@ +_target_: made.oracles.ORBOracle +# Enum-like string values will be converted inside the class; strings here are fine +model_name: orb-v3-conservative-inf-omat +device: auto +# use MP reference energies if available (from MatBench Discovery) +element_reference_energies_path: ./data/2023-02-07-mp-elemental-reference-entries.json +# Use dataset elements unless explicitly overridden +relax: true +relax_kwargs: + optimizer: fire + fmax: 0.02 + steps: 500 + relax_unit_cell: true + +# Number of worker threads for parallel evaluation (1 = sequential, >1 = parallel) +# Structures will be automatically batched across workers +num_workers: 1 \ No newline at end of file diff --git a/data/2023-02-07-mp-elemental-reference-entries.json b/data/2023-02-07-mp-elemental-reference-entries.json new file mode 100644 index 0000000..a5f070a --- /dev/null +++ b/data/2023-02-07-mp-elemental-reference-entries.json @@ -0,0 +1 @@ +{"Ne": {"@module": "pymatgen.entries.computed_entries", "@class": "ComputedEntry", "energy": -0.02593678, "composition": {"Ne": 1.0}, "entry_id": "mp-111-GGA", "correction": 0.0, "energy_adjustments": [], "parameters": {"potcar_spec": [{"titel": "PAW_PBE Ne 05Jan2001", "hash": "52064eee378b9e37a295a674f1c278f0"}], "is_hubbard": false, "hubbards": {}, "run_type": "GGA"}, "data": {"oxide_type": "None", "aspherical": true, "last_updated": {"@module": "datetime", "@class": "datetime", "string": 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"energy_adjustments": [], "parameters": {"potcar_spec": [{"titel": "PAW_PBE Cs_sv 08Apr2002", "hash": "096b53a7d80cc0086976bcda50d536e5"}], "is_hubbard": false, "hubbards": {}, "run_type": "GGA"}, "data": {"oxide_type": "None", "aspherical": true, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-04-29 19:22:36.859000"}, "task_id": "mp-1337612", "material_id": "mp-1184151", "oxidation_states": {}, "run_type": "GGA"}}} \ No newline at end of file diff --git a/data/2025-02-01-mp-energies.csv b/data/2025-02-01-mp-energies.csv new file mode 100644 index 0000000..81dd823 --- /dev/null +++ b/data/2025-02-01-mp-energies.csv @@ -0,0 +1,154719 @@ +material_id,formula,energy_per_atom,formation_energy_per_atom,energy_above_hull,decomposition_enthalpy,energy_type,spacegroup_symbol,protostructure_spglib,n_sites,protostructure_moyo +mp-111,Ne,-0.02593678,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Ne,1.0,A_cF4_225_a:Ne 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+mp-1186658,PmTh3,-6.70416688,0.0438623881,0.0438623881,0.0438623881,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Th,4.0,AB3_cP4_221_a_c:Pm-Th +mp-1186545,Pm3Th,-5.34335663,0.0730146744,0.0730146744,0.0730146744,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Th,4.0,A3B_tI8_139_ad_b:Pm-Th +mp-158,As,-4.6361115,0.023006905,0.023006905,0.023006905,GGA,Cmce,A_oC8_64_f:As,4.0,A_oC8_64_f:As +mp-1182332,As,-3.568668605,1.0904498,1.0904498,1.0904498,GGA,P4/mmm,A_tP1_123_a:As,2.0,A_tP1_123_a:As +mp-1238842,As,-4.2472272567000005,0.4118911483,0.4118911483,0.4118911483,GGA,I4/mmm,A_tI6_139_ad:As,3.0,A_tI6_139_ad:As +mp-11,As,-4.659118405,0.0,0.0,0.0,GGA,R-3m,A_hR6_166_c:As,2.0,A_hR6_166_c:As +mp-10,As,-4.5467212,0.112397205,0.112397205,0.112397205,GGA,Pm-3m,A_cP1_221_a:As,1.0,A_cP1_221_a:As +mp-1096826,As,-4.10052398,0.558594425,0.558594425,0.558594425,GGA,Fm-3m,A_cF4_225_a:As,1.0,A_cF4_225_a:As +mp-1186535,PmAs3,-5.208203935,-0.5262295506,0.0054729925,-0.5262295506,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Pm,4.0,A3B_tI8_139_ad_b:As-Pm +mp-1186534,PmAs3,-5.2136769275,-0.5317025431,0.0,-0.5317025431,GGA,Pm-3m,A3B_cP4_221_c_a:As-Pm,4.0,A3B_cP4_221_c_a:As-Pm +mp-1184205,Er3Np,-6.3136114075,0.3491226203,0.3491226203,0.3491226203,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Np,4.0,A3B_cP4_221_c_a:Er-Np +mp-1184412,ErNp3,-10.2067477475,0.6460167159,0.6460167159,0.6460167159,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Np,4.0,AB3_tI8_139_a_bd:Er-Np +mp-1006245,ErNp3,-10.16895308,0.6838113834,0.6838113834,0.6838113834,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Np,4.0,AB3_cP4_221_a_c:Er-Np +mp-1184115,Er,-4.56771881,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Er,3.0,A_hR9_166_ac:Er +mp-99,Er,-4.5610396600000005,0.00667915,0.00667915,0.00667915,GGA,P6_3/mmc,A_hP2_194_c:Er,2.0,A_hP2_194_c:Er +mp-1184113,Er,-4.55986876,0.00785005,0.00785005,0.00785005,GGA,P6_3/mmc,A_hP4_194_ac:Er,4.0,A_hP4_194_2a2c:Er +mp-10752,Er,-4.5408031,0.02691571,0.02691571,0.02691571,GGA,Fm-3m,A_cF4_225_a:Er,1.0,A_cF4_225_a:Er 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+mp-1185063,KPm3,-3.371914025,0.4685924536,0.4685924536,0.4685924536,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Pm,4.0,AB3_tI8_139_a_bd:K-Pm +mp-1184963,KPm3,-3.3594388125,0.4810676661,0.4810676661,0.4810676661,GGA,Pm-3m,AB3_cP4_221_a_c:K-Pm,4.0,AB3_cP4_221_a_c:K-Pm +mp-1185157,K3Pm,-1.46282697,0.5576078209,0.5576078209,0.5576078209,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Pm,4.0,A3B_tI8_139_ad_b:K-Pm +mp-1185146,K3Pm,-1.46708236,0.5533524309,0.5533524309,0.5533524309,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Pm,8.0,A3B_hP8_194_h_c:K-Pm +mp-1185049,KPm,-2.4741719250000003,0.4562987098,0.4562987098,0.4562987098,GGA,P-6m2,AB_hP2_187_a_d:K-Pm,2.0,AB_hP2_187_a_d:K-Pm +mp-1018890,PaP2,-7.52325515,-0.7428319256,0.2901871567,0.2164646826,GGA,P4/mmm,A2B_tP3_123_h_a:P-Pa,3.0,A2B_tP3_123_h_a:P-Pa +mp-1019093,PaP2,-7.8134423067,-1.0330190822,0.0,-0.0737224741,GGA,P4/nmm,A2B_tP6_129_ac_c:P-Pa,6.0,A2B_tP6_129_ac_c:P-Pa +mp-1207343,Pa2P3,-3.94805347,3.105793898,4.27906657,4.27906657,GGA,P4/mmm,A3B2_tP5_123_ag_g:P-Pa,5.0,A3B2_tP5_123_ag_g:P-Pa +mp-862853,PaP3,-7.1380387625,-0.6993957175000001,0.0753685942,0.0753685942,GGA,P6_3/mmc,A3B_hP8_194_h_c:P-Pa,8.0,A3B_hP8_194_h_c:P-Pa +mp-567978,Pa3P4,-8.4044104971,-1.2333813533,0.0,-0.3479364257,GGA,I-43d,A4B3_cI28_220_c_a:P-Pa,14.0,A4B3_cI28_220_c_a:P-Pa +mp-1186622,PmP3,-5.547841825,-0.3002293644,0.0,-0.3002293644,GGA,I4/mmm,A3B_tI8_139_ad_b:P-Pm,4.0,A3B_tI8_139_ad_b:P-Pm +mp-1106322,Lu5Tl3,-3.9742081112,-0.2626228562,0.0,-0.06301312,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Tl,16.0,A5B3_hP16_193_dg_g:Lu-Tl +mp-2060,LuTl3,-3.0452234475,-0.1430034575,0.0,-0.0147687442,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Tl,4.0,AB3_cP4_221_a_c:Lu-Tl +mp-1189963,Lu3Tl5,-3.3517553956,-0.179746984,0.0199894581,0.0199894581,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Lu-Tl,16.0,A3B5_oC32_63_ce_cfg:Lu-Tl +mp-1206747,LuTl,-3.69826626,-0.2564694267,0.0,-0.0337197033,GGA,P4/mmm,AB_tP2_123_a_d:Lu-Tl,2.0,AB_tP2_123_a_d:Lu-Tl +mp-2541,SmTl,-3.92454693,-0.3839322892,0.0,-0.0518987653,GGA,P4/mmm,AB_tP2_123_a_d:Sm-Tl,2.0,AB_tP2_123_a_d:Sm-Tl +mp-11568,SmTl,-3.91927214,-0.3786574992,0.00527479,-0.0466239753,GGA,Pm-3m,AB_cP2_221_a_b:Sm-Tl,2.0,AB_cP2_221_a_b:Sm-Tl +mp-319,Sm2Tl,-4.2006996617,-0.2674278561,0.0139628578,0.0139628578,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Sm-Tl,6.0,A2B_hP6_194_ac_d:Sm-Tl +mp-11569,SmTl3,-3.22739734,-0.2757684463,0.0,-0.0441001165,GGA,Pm-3m,AB3_cP4_221_a_c:Sm-Tl,4.0,AB3_cP4_221_a_c:Sm-Tl +mp-1106334,Sm3Tl5,-3.5936242619,-0.3475024946,0.0,-0.0176521269,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Sm-Tl,16.0,A3B5_oC32_63_ce_cfg:Sm-Tl +mp-1188446,Sm5Tl3,-4.1516720675,-0.3165645531,0.0,-0.0200105887,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Sm-Tl,16.0,A5B3_tI32_140_bk_ah:Sm-Tl +mp-1185522,Lu3Tl,-4.1241237225,-0.1427500458,0.0323318583,0.0323318583,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Tl,8.0,A3B_hP8_194_h_c:Lu-Tl +mp-1187028,Sm3Lu,-4.651190195,0.0179870363,0.0179870363,0.0179870363,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Sm,8.0,AB3_hP8_194_c_h:Lu-Sm +mp-972351,Tl,-2.3626431467,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Tl,3.0,A_hR9_166_ac:Tl +mp-972373,Tl,-2.3366258025,0.0260173442,0.0260173442,0.0260173442,GGA,P6_3/mmc,A_hP4_194_ac:Tl,4.0,A_hP4_194_2a2c:Tl +mp-82,Tl,-2.358761855,0.0038812917,0.0038812917,0.0038812917,GGA,P6_3/mmc,A_hP2_194_c:Tl,2.0,A_hP2_194_c:Tl +mp-1187790,Tl,-2.3591788069,0.0034643398,0.0034643398,0.0034643398,GGA,I-43m,A_cI58_217_ac2g:Tl,29.0,A_cI58_217_a4c9g:Tl +mp-151,Tl,-2.35195354,0.0106896067,0.0106896067,0.0106896067,GGA,Fm-3m,A_cF4_225_a:Tl,1.0,A_cF4_225_a:Tl +mp-39,Tl,-2.36165298,0.0009901667,0.0009901667,0.0009901667,GGA,Im-3m,A_cI2_229_a:Tl,1.0,A_cI2_229_a:Tl +mp-972549,SmLu3,-4.5635545162,0.0068049075,0.0068049075,0.0068049075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Sm,8.0,A3B_hP8_194_h_c:Lu-Sm +mp-978544,SmLuTl2,-3.80776189,-0.3165561529,0.0042804453,0.0042804453,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Lu-Sm-Tl +mp-632401,B,-6.3878560625,0.2915357083,0.2915357083,0.2915357083,GGA,P1,A_aP12_1_12a:B,12.0,A_aP12_1_12a:B +mp-1182425,B,-6.1970581892,0.4823335817,0.4823335817,0.4823335817,GGA,C2/m,A_mC24_12_2i2j:B,12.0,A_mC24_12_4i4j:B +mp-729184,B,-5.1807766923,1.4986150786,1.4986150786,1.4986150786,GGA,P2/c,A_mP40_13_10g:B,40.0,A_mP40_13_10g:B +mp-1193675,B,-6.6519556614,0.0274361094,0.0274361094,0.0274361094,GGA,Pnnm,A_oP28_58_3g2h:B,28.0,A_oP28_58_3g2h:B +mp-22046,B,-6.5810399782,0.0983517926,0.0983517926,0.0983517926,GGA,P4_2/nnm,A_tP50_134_a2m2n:B,50.0,A_tP50_134_a2m2n:B +mp-570316,B,-6.5241250717,0.1552666992,0.1552666992,0.1552666992,GGA,P4_2/nnm,A_tP48_134_2m2n:B,48.0,A_tP48_134_13m21n:B +mp-570602,B,-6.4559232252,0.2234685456,0.2234685456,0.2234685456,GGA,P4_2/nnm,A_tP50_134_a2m2n:B,50.0,A_tP50_134_2a13m21n:B +mp-160,B,-6.6793917708,0.0,0.0,0.0,GGA,R-3m,A_hR36_166_2h:B,12.0,A_hR36_166_2h:B +mp-541848,B,-5.9703168636,0.7090749072,0.7090749072,0.7090749072,GGA,R-3m,A_hR324_166_10h4i:B,108.0,A_hR324_166_10h4i:B +mp-161,B,-6.6524155427,0.0269762282,0.0269762282,0.0269762282,GGA,R-3m,A_hR315_166_ac9h4i:B,105.0,A_hR315_166_ac9h4i:B +mp-1104251,B,-6.4647247373,0.2146670335,0.2146670335,0.2146670335,GGA,R-3m,A_hR45_166_ac2h:B,15.0,A_hR45_166_ac2h:B +mp-1228790,B,-6.4887071913,0.1906845795,0.1906845795,0.1906845795,GGA,R-3m,A_hR315_166_ac9h4i:B,105.0,A_hR315_166_ac9h4i:B +mp-1055985,B,-5.97208649,0.7073052808,0.7073052808,0.7073052808,GGA,P6/mmm,A_hP1_191_a:B,1.0,A_hP1_191_a:B +mp-1196985,B,-6.4648164996,0.2145752713,0.2145752713,0.2145752713,GGA,Pm-3,A_cP48_200_2j2k:B,48.0,A_cP48_200_2j2k:B +mp-1202723,B,-6.3579610008,0.32143077,0.32143077,0.32143077,GGA,Fm-3m,A_cF48_225_h:B,12.0,A_cF48_225_h:B +mp-862984,PmB3,-6.2987132325,-0.1015338237,0.0,-0.1015338237,GGA,P6_3/mmc,A3B_hP8_194_h_c:B-Pm,8.0,A3B_hP8_194_h_c:B-Pm +mp-862869,Pa2S3,-8.049508479,-1.7617726949,0.0,-0.671230128,GGA,R-3c,A2B3_hR30_167_c_e:Pa-S,10.0,A2B3_hR30_167_c_e:Pa-S +mp-561513,S,-4.1175057218,0.0189441451,0.0189441451,0.0189441451,GGA,P-1,A_aP28_2_14i:S,28.0,A_aP28_2_28i:S +mp-1196831,S,-4.1259412349,0.010508632,0.010508632,0.010508632,GGA,P2,A_mP80_3_abcd38e:S,80.0,A_mP80_3_abcd38e:S +mp-7,S,-4.0719493567,0.0645005102,0.0645005102,0.0645005102,GGA,R-3,A_hR18_148_f:S,6.0,A_hR18_148_f:S +mp-557869,S,-4.1355880181,0.0008618487,0.0008618488,0.0008618488,GGA,P2_1,A_mP48_4_24a:S,48.0,A_mP48_4_48a:S +mp-666931,S,-4.1157234966,0.0207263703,0.0207263703,0.0207263703,GGA,C2,A_mC64_5_16c:S,32.0,A_aP32_1_32a:S +mp-96,S,-4.1364498669,0.0,0.0,0.0,GGA,P2/c,A_mP32_13_8g:S,32.0,A_mP32_13_8g:S +mp-83,S,-4.0984271325,0.0380227344,0.0380227344,0.0380227344,GGA,P2_1/c,A_mP56_14_14e:S,56.0,A_mP56_14_14e:S +mp-557488,S,-4.1197811764,0.0166686905,0.0166686905,0.0166686905,GGA,P2_1/c,A_mP36_14_9e:S,36.0,A_mP36_14_34e:S +mp-557559,S,-4.0959074254,0.0405424415,0.0405424415,0.0405424415,GGA,P2_1/c,A_mP28_14_7e:S,28.0,A_mP28_14_25e:S +mp-583072,S,-4.1080733141,0.0283765527,0.0283765527,0.0283765527,GGA,P2_1/c,A_mP104_14_26e:S,104.0,A_mP104_14_103e:S +mp-556269,S,-4.0992716076,0.0371782592,0.0371782592,0.0371782592,GGA,P2_1/c,A_mP72_14_18e:S,72.0,A_mP72_14_71e:S +mp-1065250,S,-3.7888221625,0.3476277044,0.3476277044,0.3476277044,GGA,P2_1/c,A_mP4_14_e:S,4.0,A_mP4_14_e:S +mp-1094073,S,-3.5655804,0.5708694669000001,0.5708694669000001,0.5708694669000001,GGA,P2_1/c,A_mP4_14_e:S,4.0,A_mP4_14_e:S +mp-1179643,S,-3.7880428325,0.3484070344,0.3484070344,0.3484070344,GGA,P2_1/c,A_mP4_14_e:S,4.0,A_mP4_14_e:S +mp-557376,S,-4.1046634935,0.0317863734,0.0317863734,0.0317863734,GGA,C2/c,A_mC40_15_5f:S,20.0,A_mC40_15_18f:S +mp-557031,S,-4.0924738738,0.0439759931,0.0439759931,0.0439759931,GGA,C2/c,A_mC64_15_8f:S,32.0,A_mC64_15_31f:S +mp-555915,S,-4.1158655622,0.0205843047,0.0205843047,0.0205843047,GGA,P2_12_12_1,A_oP72_19_18a:S,72.0,A_oP72_19_69a:S +mp-561370,S,-4.1080875147,0.0283623522,0.0283623522,0.0283623522,GGA,Pca2_1,A_oP88_29_22a:S,88.0,A_oP88_29_86a:S +mp-558014,S,-4.1223470696,0.0141027973,0.0141027973,0.0141027973,GGA,Pnnm,A_oP24_58_eg2h:S,24.0,A_oP24_58_3e4g12h:S +mp-558964,S,-4.1223316771,0.0141181898,0.0141181898,0.0141181898,GGA,Pbcn,A_oP80_60_10d:S,80.0,A_oP80_60_70d:S +mp-1179639,S,-3.7814105125,0.3550393544,0.3550393544,0.3550393544,GGA,Cccm,A_oC8_66_l:S,4.0,A_oC8_66_l:S +mp-1179641,S,-3.7920249,0.3444249669,0.3444249669,0.3444249669,GGA,Cccm,A_oC8_66_l:S,4.0,A_oC8_66_l:S +mp-77,S,-4.1354432691,0.0010065978,0.0010065978,0.0010065978,GGA,Fddd,A_oF128_70_4h:S,32.0,A_oF128_70_4h:S +mp-994911,S,-4.12585397,0.0105958969,0.0105958969,0.0105958969,GGA,P4mm,A_tP8_99_de:S,8.0,A_tP8_99_2d3e:S +mp-1064933,S,-3.7867860925,0.3496637744,0.3496637744,0.3496637744,GGA,P4_2/mnm,A_tP4_136_f:S,4.0,A_tP4_136_f:S +mp-655141,S,-3.7791411383,0.3573087285,0.3573087285,0.3573087285,GGA,P3,A_hP18_143_6d:S,18.0,A_hP18_143_14d:S +mp-608100,S,-3.6963069228,0.4401429441,0.4401429441,0.4401429441,GGA,P3,A_hP18_143_6d:S,18.0,A_hP18_143_14d:S +mp-555760,S,-4.0955079267,0.0409419402,0.0409419402,0.0409419402,GGA,P3_221,A_hP9_154_ac:S,9.0,A_hP9_154_3a2c:S +mp-10869,S,-3.51000844,0.6264414269,0.6264414269,0.6264414269,GGA,Pm-3m,A_cP1_221_a:S,1.0,A_cP1_221_a:S +mp-684673,S,-2.8351671,1.3012827669,1.3012827669,1.3012827669,GGA,Fm-3m,A_cF4_225_a:S,1.0,A_cF4_225_a:S +mp-1063988,S,-2.99896608,1.1374837869,1.1374837869,1.1374837869,GGA,Im-3m,A_cI2_229_a:S,1.0,A_cI2_229_a:S +mp-862857,PaS3,-6.8441817737,-1.3631782086,0.0,-0.2620702743,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-S,8.0,AB3_hP8_194_c_h:Pa-S +mp-32800,Ac2S3,-6.5902754542,-2.4599355311,0.0,-2.4599355311,GGA,I-42d,A2B3_tI80_122_cde_3e:Ac-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d6e_16e:Ac-S, expected Ac5S8 to be Ac2S3" +mp-977351,Ac2S3,-6.55410188,-2.4237619569,0.0361735742,-2.4237619569,GGA,R-3c,A2B3_hR30_167_c_e:Ac-S,10.0,A2B3_hR30_167_c_e:Ac-S +mp-862600,Be2PtRh,-5.9939825675,-0.7654158375,0.0,-0.323028823,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Pt-Rh,4.0,A2BC_cF16_225_c_a_b:Be-Pt-Rh +mp-1072399,Be5Pt,-4.589629785,-0.4615968442,0.0,-0.3764752851,GGA,F-43m,A5B_cF24_216_ae_c:Be-Pt,6.0,A5B_cF24_216_ae_c:Be-Pt +mp-1227672,Be46Rh7,-4.3884334758,-0.1702608932,0.0633215336,0.0633215336,GGA,P3m1,A46B7_hP53_156_6a6b7c9d_6ab:Be-Rh,53.0,"Invalid WP multiplicities - A46B7_hP53_156_6a6b7c27d_6ab:Be-Rh, expected Be100Rh7 to be Be46Rh7" +mp-571622,Be12Pt,-4.0130644731,-0.0942884962,0.1187562012,0.1187562012,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Pt,13.0,"Invalid WP multiplicities - A12B_tI26_139_4f4i3j_a:Be-Pt, expected Be44Pt to be Be12Pt" +mp-11276,BeRh,-6.15967629,-0.6078159225,0.0,-0.3130571458,GGA,Pm-3m,AB_cP2_221_a_b:Be-Rh,2.0,AB_cP2_221_a_b:Be-Rh +mp-974616,Pt3Rh,-6.3978816175,-0.00345466,0.0,-0.0030886408,GGA,I4/mmm,A3B_tI8_139_ad_b:Pt-Rh,4.0,A3B_tI8_139_ad_b:Pt-Rh +mp-974395,Pt3Rh,-6.39565603,-0.0012290725,0.0022255875,-0.0008630533,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Rh,4.0,A3B_cP4_221_c_a:Pt-Rh +mp-974376,PtRh3,-7.04211229,-0.0010980575,5.34958e-05,5.34958e-05,GGA,I4/mmm,AB3_tI8_139_a_bd:Pt-Rh,4.0,AB3_tI8_139_a_bd:Pt-Rh +mp-974370,PtRh3,-7.037457645,0.0035565875,0.0047081408,0.0047081408,GGA,Pm-3m,AB3_cP4_221_a_c:Pt-Rh,4.0,AB3_cP4_221_a_c:Pt-Rh +mp-1219734,PtRh,-6.711363215,0.00635738,0.0086604867,0.0086604867,GGA,R-3m,AB_hR6_166_a_b:Pt-Rh,2.0,AB_hR6_166_a_b:Pt-Rh +mp-1183411,Be3Rh,-5.0782855825,-0.4326489663,0.0094891987,-0.1221460765,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Rh,4.0,A3B_tI8_139_ad_b:Be-Rh +mp-864894,Be3Rh,-5.0877747813,-0.442138165,0.0,-0.1316352752,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-Rh,8.0,A3B_hP8_194_h_c:Be-Rh +mp-989737,Ag,-2.8325560033,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Ag,3.0,A_hR9_166_ac:Ag +mp-8566,Ag,-2.8253295175,0.0072264858,0.0072264858,0.0072264858,GGA,P6_3/mmc,A_hP4_194_ac:Ag,4.0,A_hP4_194_ac:Ag +mp-10597,Ag,-2.82501485,0.0075411533,0.0075411533,0.0075411533,GGA,P6_3/mmc,A_hP2_194_c:Ag,2.0,A_hP2_194_c:Ag +mp-124,Ag,-2.82894684,0.0036091633,0.0036091633,0.0036091633,GGA,Fm-3m,A_cF4_225_a:Ag,1.0,A_cF4_225_a:Ag +mp-2646971,Ag,-2.79821884,0.0343371633,0.0343371633,0.0343371633,GGA,Im-3m,A_cI2_229_a:Ag,1.0,A_cI2_229_a:Ag +mp-817,TmTl3,-3.0690574475,-0.1781162317,0.0,-0.0390032092,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-Tm,4.0,A3B_cP4_221_c_a:Tl-Tm +mp-30360,TmAg3,-3.3699172475,-0.1265413892,0.1266313858,0.1266313858,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Tm,4.0,A3B_cP4_221_c_a:Ag-Tm +mp-1190038,Tm5Tl3,-3.9708014269,-0.2874131073,0.0,-0.0734626019,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Tl-Tm,16.0,A3B5_hP16_193_g_dg:Tl-Tm +mp-515,TmTl,-3.69746533,-0.278226045,0.0,-0.0272452296,GGA,Pm-3m,AB_cP2_221_a_b:Tl-Tm,2.0,AB_cP2_221_a_b:Tl-Tm +mp-866120,Tm2TlAg,-3.87263794,-0.3359204408,0.0,-0.0210599725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Tl-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Tl-Tm +mp-1187545,Tl3Ag,-2.37067027,0.1094510908,0.1094510908,0.1094510908,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Tl,4.0,AB3_tI8_139_a_bd:Ag-Tl +mp-1187490,Tl3Ag,-2.3726822775,0.1074390833,0.1074390833,0.1074390833,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Tl,4.0,AB3_cP4_221_a_c:Ag-Tl +mp-30359,TmAg2,-3.71787951,-0.3375636999999999,0.0,-0.1032337722,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Tm,3.0,A2B_tI6_139_e_a:Ag-Tm +mp-1187672,Tm3Tl,-4.09721232,-0.1496749658,0.0419337724,0.0419337724,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tl-Tm,8.0,AB3_hP8_194_c_h:Tl-Tm +mp-2796,TmAg,-4.005690605,-0.3514948917,0.0,-0.0983221167,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Tm,2.0,AB_cP2_221_a_b:Ag-Tm +mp-55,Sn,-3.94648406,0.063087795,0.063087795,0.063087795,GGA,I4/mmm,A_tI2_139_a:Sn,1.0,A_tI2_139_a:Sn +mp-1056308,Sn,-3.94360375,0.065968105,0.065968105,0.065968105,GGA,Immm,A_oI2_71_a:Sn,1.0,A_oI2_71_a:Sn +mp-1179414,Sn,-3.9130851375,0.0964867175,0.0964867175,0.0964867175,GGA,Immm,A_oI2_71_a:Sn,8.0,A_mC2_12_a:Sn +mp-623511,Sn,-3.94816485,0.061407005,0.061407005,0.061407005,GGA,I4/mmm,A_tI2_139_a:Sn,1.0,A_oI2_71_a:Sn +mp-84,Sn,-3.97406025,0.035511605,0.035511605,0.035511605,GGA,I4_1/amd,A_tI4_141_a:Sn,2.0,A_tI4_141_a:Sn +mp-949028,Sn,-3.9799500515,0.0296218035,0.0296218035,0.0296218035,GGA,Pm-3n,A_cP46_223_cik:Sn,46.0,A_cP46_223_ci2k:Sn +mp-1022725,Sn,-3.95531502,0.054256835,0.054256835,0.054256835,GGA,Fm-3m,A_cF4_225_a:Sn,1.0,A_cF4_225_a:Sn +mp-117,Sn,-4.009571855,0.0,0.0,0.0,GGA,Fd-3m,A_cF8_227_a:Sn,2.0,A_cF8_227_a:Sn +mp-7162,Sn,-3.9353751,0.074196755,0.074196755,0.074196755,GGA,Im-3m,A_cI2_229_a:Sn,1.0,A_cI2_229_a:Sn +mp-1025067,ReGe2,-7.2299063467,0.0002879517,0.0104661612,0.0104661612,GGA,C2/m,A2B_mC12_12_2i_i:Ge-Re,6.0,A2B_mC12_12_2i_i:Ge-Re +mp-1187030,Sn3Ge,-3.99939879,0.163537065,0.163537065,0.163537065,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Sn,4.0,AB3_tI8_139_a_bd:Ge-Sn +mp-1187023,Sn3Ge,-4.0054127525,0.1575231025,0.1575231025,0.1575231025,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Sn,4.0,AB3_cP4_221_a_c:Ge-Sn +mp-1187027,Sn3Ge,-4.0147555575,0.1481802975,0.1481802975,0.1481802975,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Sn,4.0,AB3_cF16_225_a_bc:Ge-Sn +mp-974432,Re3Sn,-9.78194844,0.5538399125,0.5538399125,0.5538399125,GGA,I4/mmm,A3B_tI8_139_ad_b:Re-Sn,4.0,A3B_tI8_139_ad_b:Re-Sn +mp-974426,Re3Sn,-9.7870447675,0.5487435850000001,0.5487435850000001,0.5487435850000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-Sn,8.0,A3B_hP8_194_h_c:Re-Sn +mp-975065,Re,-12.42602498,0.018502205,0.018502205,0.018502205,GGA,R-3m,A_hR9_166_ac:Re,3.0,A_hR9_166_ac:Re +mp-8,Re,-12.444527185,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP2_194_c:Re,2.0,A_hP2_194_c:Re +mp-1186901,Re,-12.4431240025,0.0014031825,0.0014031825,0.0014031825,GGA,P6_3/mmc,A_hP4_194_ac:Re,4.0,A_hP4_194_2a2c:Re +mp-8642,Re,-12.38177043,0.062756755,0.062756755,0.062756755,GGA,Fm-3m,A_cF4_225_a:Re,1.0,A_cF4_225_a:Re +mp-2647037,Re,-12.12621508,0.318312105,0.318312105,0.318312105,GGA,Im-3m,A_cI2_229_a:Re,1.0,A_cI2_229_a:Re +mp-1079020,Ge,-4.3092870963,0.3137407587,0.3137407587,0.3137407587,GGA,Cmce,A_oC16_64_df:Ge,8.0,A_oC16_64_df:Ge +mp-1224349,Ge,-4.37127396,0.251753895,0.251753895,0.251753895,GGA,Cmmm,A_oC2_65_a:Ge,1.0,A_oC2_65_a:Ge +mp-148,Ge,-4.37991836,0.243109495,0.243109495,0.243109495,GGA,Fmmm,A_oF16_69_gh:Ge,4.0,A_oF16_69_gh:Ge +mp-1061054,Ge,-4.387048845,0.23597901,0.23597901,0.23597901,GGA,Imma,A_oI4_74_e:Ge,2.0,A_oI4_74_e:Ge +mp-137,Ge,-4.4736379483,0.1493899067,0.1493899067,0.1493899067,GGA,P4_32_12,A_tP12_96_ab:Ge,12.0,A_tP12_96_ab:Ge +mp-78,Ge,-4.39330872,0.229719135,0.229719135,0.229719135,GGA,I4_1/amd,A_tI4_141_a:Ge,2.0,A_tI4_141_a:Ge +mp-128,Ge,-4.4754420525,0.1475858025,0.1475858025,0.1475858025,GGA,R-3,A_hR24_148_cf:Ge,8.0,A_hR24_148_cf:Ge +mp-1067619,Ge,-4.14688213,0.476145725,0.476145725,0.476145725,GGA,P6_3mc,A_hP4_186_ab:Ge,4.0,A_hP4_186_ab:Ge +mp-32,Ge,-4.623027855,0.0,0.0,0.0,GGA,Fd-3m,A_cF8_227_a:Ge,2.0,A_cF8_227_a:Ge +mp-1007760,Ge,-4.6012809625,0.0217468925,0.0217468925,0.0217468925,GGA,P6_3/mmc,A_hP4_194_f:Ge,4.0,A_hP4_194_f:Ge +mp-1008733,Ge,-4.29189024,0.331137615,0.331137615,0.331137615,GGA,P6_3/mmc,A_hP2_194_c:Ge,2.0,A_hP2_194_c:Ge +mp-1091415,Ge,-4.6093201675,0.0137076875,0.0137076875,0.0137076875,GGA,P6_3/mmc,A_hP8_194_ef:Ge,8.0,A_hP8_194_ef:Ge +mp-1080106,Ge,-4.4774315813,0.1455962737,0.1455962737,0.1455962737,GGA,Ia-3,A_cI16_206_c:Ge,8.0,A_cI16_206_c:Ge +mp-12093,Ge,-4.28899835,0.334029505,0.334029505,0.334029505,GGA,Fm-3m,A_cF4_225_a:Ge,1.0,A_cF4_225_a:Ge +mp-1197020,Ge,-4.2961439915,0.3268838635,0.3268838635,0.3268838635,GGA,Fd-3m,A_cF136_227_aeg:Ge,34.0,A_cF136_227_aeg:Ge +mp-1198022,Ge,-4.5981589194,0.0248689356,0.0248689356,0.0248689356,GGA,Fd-3m,A_cF136_227_aeg:Ge,34.0,A_cF136_227_aeg:Ge +mp-998883,Ge,-4.28353805,0.339489805,0.339489805,0.339489805,GGA,Im-3m,A_cI2_229_a:Ge,1.0,A_cI2_229_a:Ge +mp-631754,ReSnGe,-6.0790691533,0.9466398117,0.9517289164,0.9517289164,GGA,F-43m,ABC_cF12_216_c_a_b:Ge-Re-Sn,3.0,ABC_cF12_216_c_a_b:Ge-Re-Sn +mp-974545,ReSn3,-5.37577666,0.7425340275000001,0.7425340275000001,0.7425340275000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Re-Sn,4.0,AB3_cF16_225_a_bc:Re-Sn +mp-29141,Re3Ge7,-6.980164774,-0.01068712,0.0,-0.01068712,GGA,Cmcm,A7B3_oC40_63_c3f_cf:Ge-Re,20.0,A7B3_oC40_63_c3f_cf:Ge-Re +mp-979254,SnGe3,-4.1774010775,0.2922627775,0.2922627775,0.2922627775,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Sn,4.0,A3B_tI8_139_ad_b:Ge-Sn +mp-1187066,SnGe3,-4.1693190225,0.3003448325,0.3003448325,0.3003448325,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Sn,4.0,A3B_cP4_221_c_a:Ge-Sn +mp-995181,SnGe,-3.824278025,0.49202183,0.49202183,0.49202183,GGA,P3m1,AB_hP2_156_a_b:Ge-Sn,2.0,AB_hP2_156_a_b:Ge-Sn +mp-1201064,Re4Ge7,-7.4366772598,0.0305321698,0.0402477334,0.0402477334,GGA,P-4c2,A7B4_tP44_116_e3j_ach2i:Ge-Re,44.0,A7B4_tP44_116_e3j_ach2i:Ge-Re +mp-974445,Re3Ge,-10.1088919,0.3802604525,0.3840772811,0.3840772811,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Re,4.0,AB3_tI8_139_a_bd:Ge-Re +mp-1186900,Re3Ge,-10.1177250712,0.3714272812,0.3752441098,0.3752441098,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Re,8.0,AB3_hP8_194_c_h:Ge-Re +mp-1191460,HfMn,-9.7476172675,-0.1880151065,0.0094306119,0.0094306119,GGA,Fd-3m,AB_cF96_227_f_ce:Hf-Mn,24.0,AB_cF96_227_f_ce:Hf-Mn +mp-11449,HfMn2,-9.6903341625,-0.2632609578,0.0,-0.1379175535,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Hf-Mn,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Hf-Mn, expected Hf2Mn7 to be HfMn2" +mp-1190880,HfMn2,-9.6761986896,-0.2491254849,0.0141354729,-0.1237820806,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Hf-Mn,24.0,AB2_hP24_194_ef_fgh:Hf-Mn +mp-982930,HfTl3,-4.00631615,0.2549634675,0.2549634675,0.2549634675,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Tl,4.0,AB3_tI8_139_a_bd:Hf-Tl +mp-631324,HfMnTl,-6.24336638,0.9172494429,1.0488799218,1.0488799218,GGA,F-43m,ABC_cF12_216_c_a_b:Hf-Mn-Tl,3.0,ABC_cF12_216_c_a_b:Hf-Mn-Tl +mp-1009238,Hf2Tl,-7.39523525,0.0304384856,0.0304384856,0.0304384856,GGA,I4/mmm,A2B_tI6_139_e_a:Hf-Tl,3.0,A2B_tI6_139_e_a:Hf-Tl +mp-1192157,Hf2Mn,-9.7981374737,-0.1060063564,0.0256241225,0.0256241225,GGA,Fd-3m,A2B_cF96_227_cf_e:Hf-Mn,24.0,A2B_cF96_227_cf_e:Hf-Mn +mp-972987,Mn3Tl,-6.974391795,0.4877804607,0.4877804607,0.4877804607,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Tl,4.0,A3B_cP4_221_c_a:Mn-Tl +mp-1186009,MnTl3,-3.671884245,0.390601938,0.390601938,0.390601938,GGA,I4/mmm,AB3_tI8_139_a_bd:Mn-Tl,4.0,AB3_tI8_139_a_bd:Mn-Tl +mp-975059,MnTl3,-3.672280895,0.390205288,0.390205288,0.390205288,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Tl,8.0,AB3_hP8_194_c_h:Mn-Tl +mp-976106,Hf3Tl,-8.045566515,0.0129860442,0.0129860442,0.0129860442,GGA,I4/mmm,A3B_tI8_139_ad_b:Hf-Tl,4.0,A3B_tI8_139_ad_b:Hf-Tl +mp-1184549,HfTl,-6.02500945,0.1349066383,0.1349066383,0.1349066383,GGA,P-6m2,AB_hP2_187_a_d:Hf-Tl,2.0,AB_hP2_187_a_d:Hf-Tl +mp-1106070,Dy2Co17,-6.9433899911,-0.0983912439,0.0,-0.024085955,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Dy,19.0,A17B2_hR57_166_cdfh_c:Co-Dy +mp-569638,Dy2Co17,-6.9424057792,-0.0974070321,0.0009842118,-0.0231017432,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Dy,38.0,"Invalid WP multiplicities - A17B2_hP38_194_4f6g7j6k_2b2c:Co-Dy, expected DyCo26 to be Dy2Co17" +mp-1225767,Dy(Co5Mo)2,-7.5246573569,-0.0337908177,0.056121376,0.056121376,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Co-Dy-Mo,13.0,A10BC2_oI26_71_efhk_a_g:Co-Dy-Mo +mp-1213098,Dy4Co,-4.806164569,0.300928462,0.426883623,0.426883623,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Dy,10.0,AB4_cF40_227_a_e:Co-Dy +mp-1226395,CoMo,-9.0027100842,-0.0257261317,0.0093868066,0.0093868066,GGA,R-3m,AB_hR78_166_a2h_b6c:Co-Mo,26.0,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Co-Mo, expected Co67Mo19 to be CoMo" +mp-1226002,CoMo,-8.77226627,0.2047176825,0.2398306208,0.2398306208,GGA,P-6m2,AB_hP2_187_a_d:Co-Mo,2.0,AB_hP2_187_a_d:Co-Mo +mp-1006884,CoMo,-8.72100464,0.2559793125,0.2910922508,0.2910922508,GGA,Pm-3m,AB_cP2_221_a_b:Co-Mo,2.0,AB_cP2_221_a_b:Co-Mo +mp-1183707,CoMo3,-9.71027976,0.2010372712,0.2185937404,0.2185937404,GGA,Fm-3m,AB3_cF16_225_a_bc:Co-Mo,4.0,AB3_cF16_225_a_bc:Co-Mo +mp-1182516,Co2Mo3,-9.150935227,0.199781957,0.2278723077,0.2278723077,GGA,P2_1/m,A2B3_mP10_11_2e_3e:Co-Mo,10.0,A2B3_mP10_11_2e_3e:Co-Mo +mp-1188213,Co2Mo3,-8.8681031695,0.4826140145,0.5107043652000001,0.5107043652000001,GGA,Cmcm,A2B3_oC20_63_g_cg:Co-Mo,20.0,A2B3_oC20_63_g_cg:Co-Mo +mp-573622,Dy12Co7,-5.7052021442,-0.1767986366,0.0,-0.0061751766,GGA,P2_1/c,A7B12_mP38_14_a3e_6e:Co-Dy,38.0,"Invalid WP multiplicities - A7B12_mP38_14_2a11e_20e:Co-Dy, expected Dy5Co3 to be Dy12Co7" +mp-2628,DyCo2,-6.47829044,-0.2038162967,0.0,-0.0272705695,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Dy,6.0,A2B_cF24_227_c_b:Co-Dy +mp-2551,DyCo5,-6.80332843,-0.1119324608,0.0195852511,0.0195852511,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Dy,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Co-Dy, expected DyCo8 to be DyCo5" +mp-1188496,Dy2Co7,-6.7047905011,-0.1523684739,0.0091208042,0.0091208042,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Dy,18.0,A7B2_hR54_166_a2cdh_2c:Co-Dy +mp-1226451,Co3Mo,-7.7570480425,0.2856028313,0.3382722388,0.2998383806,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Mo,4.0,A3B_hP4_187_ah_b:Co-Mo +mp-1139,Co3Mo,-8.0953202813,-0.0526694075,0.0,-0.0384338581,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Mo,8.0,A3B_hP8_194_h_c:Co-Mo +mp-1008279,Co3Mo,-8.0431234525,-0.0004725787,0.0521968288,0.0137629706,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Mo,4.0,A3B_cP4_221_c_a:Co-Mo +mp-567747,Co7Mo6,-8.8595214162,-0.0262810142,0.0115329194,0.0115329194,GGA,R-3m,A7B6_hR39_166_ah_3c:Co-Mo,13.0,"Invalid WP multiplicities - A7B6_hR39_166_a2h_5c:Co-Mo, expected Co13Mo10 to be Co7Mo6" +mp-1193227,Co,-6.9819769975,0.1263407975,0.1263407975,0.1263407975,GGA,P4_2/mnm,A_tP28_136_f2ij:Co,28.0,A_tP28_136_f2ij:Co +mp-1271142,Co,-7.0981728675,0.0101449275,0.0101449275,0.0101449275,GGA,P-3m1,A_hP2_164_d:Co,4.0,A_hP2_194_c:Co +mp-669382,Co,-6.9906554041,0.1176623909,0.1176623909,0.1176623909,GGA,P6_3mc,A_hP46_186_2a3b6c:Co,46.0,A_hP46_186_4a6b34c:Co +mp-54,Co,-7.108317795,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP2_194_c:Co,2.0,A_hP2_194_c:Co +mp-1183710,Co,-7.1028703,0.005447495,0.005447495,0.005447495,GGA,P6_3/mmc,A_hP4_194_ac:Co,4.0,A_hP4_194_2a2c:Co +mp-102,Co,-7.0922038,0.016113995,0.016113995,0.016113995,GGA,Fm-3m,A_cF4_225_a:Co,1.0,A_cF4_225_a:Co +mp-1072089,Co,-6.90899152,0.199326275,0.199326275,0.199326275,GGA,Fd-3m,A_cF24_227_ad:Co,6.0,A_cF24_227_ad:Co +mp-2647057,Co,-7.01875206,0.089565735,0.089565735,0.089565735,GGA,Im-3m,A_cI2_229_a:Co,1.0,A_cI2_229_a:Co +mp-1225451,Dy4Co3,-5.8452150233,-0.1663434883,0.0159040881,0.0159040881,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Dy,21.0,A3B4_hP21_147_adg_2g:Co-Dy +mp-646392,Dy3Co,-5.38961353,-0.1574439513,0.0,-0.0374734479,GGA,Pnma,AB3_oP16_62_c_cd:Co-Dy,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_2c2d:Co-Dy, expected Dy6Co to be Dy3Co" +mp-568945,DyCo3,-6.6594101175,-0.1764750612,0.0,-0.0112085205,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Dy,12.0,"Invalid WP multiplicities - A3B_hR36_166_a2c3h_bc:Co-Dy, expected Dy3Co23 to be DyCo3" +mp-1187450,TePb3,-3.572390815,-0.0020790392,0.3062925525,0.3062925525,GGA,I4/mmm,A3B_tI8_139_ad_b:Pb-Te,4.0,A3B_tI8_139_ad_b:Pb-Te +mp-1187534,TePb3,-3.5787860975,-0.0084743217,0.29989727,0.29989727,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Te,8.0,A3B_hP8_194_h_c:Pb-Te +mp-21042,Te4Pt3,-4.4446550486,-0.0465659724,0.5737391557,0.5645738614,GGA,C2/m,A3B4_mC14_12_ai_2i:Pt-Te,7.0,A3B4_mC14_12_ai_2i:Pt-Te +mp-1077948,Te4Pt3,-4.3970021271,0.001086949,0.6213920771,0.6122267829,GGA,C2/m,A3B4_mC14_12_ai_2i:Pt-Te,7.0,A3B4_mC14_12_ai_2i:Pt-Te +mp-8628,Te4Pt3,-5.0183942043,-0.6203051281,0.0,-0.0091652943,GGA,R-3m,A3B4_hR21_166_ac_2c:Pt-Te,7.0,A3B4_hR21_166_ac_2c:Pt-Te +mp-19717,TePb,-4.044719665,-0.6167431833,0.0,-0.6110936356000001,GGA,Fm-3m,AB_cF8_225_a_b:Pb-Te,2.0,AB_cF8_225_a_b:Pb-Te +mp-685022,TePb,-3.9869249762,-0.5589484946000001,0.0577946888,-0.5532989468,GGA,Pnma,AB_oP8_62_c_c:Pb-Te,8.0,AB_oP8_62_c_c:Pb-Te +mp-1079574,TePb,-3.9892395662,-0.5612630846000001,0.0554800987,-0.5556135368,GGA,Pnma,AB_oP8_62_c_c:Pb-Te,8.0,AB_oP8_62_c_c:Pb-Te +mp-2517816,TePb,-4.00912708,-0.5811505983,0.035592585,-0.5755010506,GGA,P6_3/mmc,AB_hP4_194_a_c:Pb-Te,8.0,AB_hP4_194_a_c:Pb-Te +mp-20943,TePb,-3.81681571,-0.3888392283,0.227903955,-0.3831896806,GGA,Pm-3m,AB_cP2_221_a_b:Pb-Te,2.0,AB_cP2_221_a_b:Pb-Te +mp-20828,Pt3Pb,-5.56284044,-0.0813286825,0.0337437412,0.0337437412,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Pt,4.0,AB3_cP4_221_a_c:Pb-Pt +mp-1217437,TePtPb,-4.7953095983,-0.4862808372,0.0,-0.0156258955,GGA,P2_13,ABC_cP12_198_a_a_a:Pb-Pt-Te,12.0,ABC_cP12_198_a_a_a:Pb-Pt-Te +mp-399,Te2Pt,-4.7975293533,-0.6782809844000001,0.0,-0.1506670311,GGA,P-3m1,AB2_hP3_164_a_d:Pt-Te,3.0,AB2_hP3_164_a_d:Pt-Te +mp-11693,TePt,-5.163367165,-0.5561475583000001,0.0,-0.0133805712,GGA,R-3m,AB_hR12_166_c_c:Pt-Te,4.0,AB_hR12_166_c_c:Pt-Te +mp-571512,TePt,-5.0250779825,-0.4178583758,0.1382891825,0.1249086113,GGA,P6_3/mmc,AB_hP4_194_a_c:Pt-Te,4.0,AB_hP4_194_a_c:Pt-Te +mp-21296,PtPb4,-4.311113554,-0.126769234,0.0,-0.034711295,GGA,P4/nbm,A4B_tP10_125_m_a:Pb-Pt,10.0,A4B_tP10_125_m_a:Pb-Pt +mp-21318,PtPb2,-4.6410232,-0.1422140467,0.0304999044,0.0304999044,GGA,I4/mcm,A2B_tI12_140_h_a:Pb-Pt,6.0,A2B_tI12_140_h_a:Pb-Pt +mp-21380,PtPb,-4.849804935,0.04208526,0.2722301075,0.159945161,GGA,P6_3/mmc,AB_hP4_194_a_c:Pb-Pt,4.0,AB_hP4_194_a_c:Pb-Pt +mp-1066274,PtPb,-5.1220350425,-0.2301448475,0.0,-0.1122849465,GGA,P6_3/mmc,AB_hP4_194_c_a:Pb-Pt,4.0,AB_hP4_194_c_a:Pb-Pt +mp-1186846,PtPb3,-4.3216001037,-0.0193314712,0.1246670317,0.1246670317,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Pt,8.0,A3B_hP8_194_h_c:Pb-Pt +mp-570562,Te3Pt2,-4.947573608,-0.6331367440000001,0.004561141,0.004561141,GGA,C2/m,A2B3_mC20_12_2i_3i:Pt-Te,10.0,"Invalid WP multiplicities - A2B3_mC20_12_2i_6i:Pt-Te, expected Te3Pt to be Te3Pt2" +mp-541180,Te3Pt2,-4.944547704,-0.6301108400000001,0.007587045,0.007587045,GGA,R-3m,A2B3_hR30_166_2c_3c:Pt-Te,10.0,A2B3_hR30_166_2c_3c:Pt-Te +mp-10021,Ga,-3.012821725,0.0152742975,0.0152742975,0.0152742975,GGA,Cmcm,A_oC4_63_c:Ga,2.0,A_oC4_63_c:Ga +mp-567540,Ga,-3.0164135905,0.011682432,0.011682432,0.011682432,GGA,Cmcm,A_oC40_63_2cf3g:Ga,20.0,A_oC40_63_4c4f9g:Ga +mp-1067880,Ga,-3.0232727575,0.004823265,0.004823265,0.004823265,GGA,Cmcm,A_oC8_63_g:Ga,4.0,A_oC8_63_g:Ga +mp-1007857,Ga,-3.0127026475,0.015393375,0.015393375,0.015393375,GGA,Cmce,A_oC8_64_f:Ga,4.0,A_oC8_64_f:Ga +mp-142,Ga,-3.0280960225,0.0,0.0,0.0,GGA,Cmce,A_oC8_64_f:Ga,4.0,A_oC8_64_f:Ga +mp-140,Ga,-3.00392285,0.0241731725,0.0241731725,0.0241731725,GGA,I4/mmm,A_tI2_139_a:Ga,1.0,A_tI2_139_a:Ga +mp-569007,Ga,-2.9940321855,0.034063837,0.034063837,0.034063837,GGA,R-3m,A_hR66_166_ae3h:Ga,22.0,A_hR66_166_a3e13h:Ga +mp-569423,Ga,-3.0167530483,0.0113429742,0.0113429742,0.0113429742,GGA,I-43d,A_cI12_220_a:Ga,6.0,A_cI12_220_a:Ga +mp-668,PrGa2,-4.30592953,-0.6935635967,0.0,-0.1174812208,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Pr,3.0,A2B_hP3_191_c_b:Ga-Pr +mp-1104070,PrGa6,-3.6240351136,-0.3455377007,0.0,-0.0172286546,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Pr,14.0,A6B_tP14_125_gm_c:Ga-Pr +mp-567339,PrOs2,-9.1300599142,-0.0515130425,0.0,-0.0178484397,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Pr,12.0,A2B_hP12_194_ah_f:Os-Pr +mp-2498,PrOs2,-9.1077244967,-0.029177625,0.0223354175,0.0044869778,GGA,Fd-3m,A2B_cF24_227_c_b:Os-Pr,6.0,A2B_cF24_227_c_b:Os-Pr +mp-1189967,Pr3Os,-6.46826653,-0.0757453563,0.0,-0.0564279653,GGA,Pnma,AB3_oP16_62_c_cd:Os-Pr,16.0,AB3_oP16_62_c_cd:Os-Pr +mp-1209604,PrGa4Os,-5.1488366222,-0.4620604097,0.0039414356,0.0039414356,GGA,Pmma,A4BC_oP36_51_afijkl_bh_ek:Ga-Os-Pr,36.0,A4BC_oP36_51_afijkl_bh_ek:Ga-Os-Pr +mp-570875,Ga2Os,-5.9257097783,-0.1645232867,0.0739168072,0.0739168072,GGA,Fddd,A2B_oF24_70_e_a:Ga-Os,6.0,A2B_oF24_70_e_a:Ga-Os +mp-11406,Pr3Ga,-4.5756710475,-0.2329677256,0.0594276859,0.0594276859,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Pr,4.0,AB3_cP4_221_a_c:Ga-Pr +mp-1104052,Pr9Ga4,-4.6014509592,-0.3598712758,0.0,-0.0009102081,GGA,I4/m,A4B9_tI26_87_h_a2h:Ga-Pr,13.0,A4B9_tI26_87_h_a2h:Ga-Pr +mp-11404,PrGa,-4.483666355,-0.5791654663,0.0,-0.0319331813,GGA,Cmcm,AB_oC8_63_c_c:Ga-Pr,4.0,AB_oC8_63_c_c:Ga-Pr +mp-570844,Ga3Os,-5.34615898,-0.2682451056,0.0,-0.1448526406,GGA,P4_2/mnm,A3B_tP16_136_cj_f:Ga-Os,16.0,"Invalid WP multiplicities - A3B_tP16_136_3c3j_f:Ga-Os, expected Ga9Os to be Ga3Os" +mp-623027,Pr2Ga,-4.5652644225,-0.3686285783,0.0208093738,0.0208093738,GGA,Pnma,AB2_oP12_62_c_2c:Ga-Pr,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_5c:Ga-Pr, expected Pr5Ga to be Pr2Ga" +mp-1069751,Pr2Os3,-8.22286693,0.42591583,0.4813060427,0.4813060427,GGA,C2/m,A3B2_mC10_12_ai_i:Os-Pr,5.0,A3B2_mC10_12_ai_i:Os-Pr +mp-862756,PrGa3,-4.0408392862,-0.5745408306,0.0,-0.0332385634,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Pr,8.0,A3B_hP8_194_h_c:Ga-Pr +mp-669594,Pr5Ga3,-4.5610859066,-0.4374838012,0.0,-0.0008595588,GGA,P4/ncc,A3B5_tP32_130_cf_cg:Ga-Pr,32.0,"Invalid WP multiplicities - A3B5_tP32_130_3c3f_4c4g:Ga-Pr, expected Pr20Ga9 to be Pr5Ga3" +mp-1105805,Pr5Ga3,-4.5453496019,-0.4217474966,0.0157363047,0.0148767459,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ga-Pr,16.0,A3B5_tI32_140_ah_bk:Ga-Pr +mp-1209511,Pr4Os,-5.648563579,0.421634511,0.482230796,0.482230796,GGA,Fd-3m,AB4_cF40_227_a_e:Os-Pr,10.0,AB4_cF40_227_a_e:Os-Pr +mp-1183623,CdCu3,-3.2250508025,0.08007664,0.08007664,0.08007664,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Cu,4.0,AB3_cP4_221_a_c:Cd-Cu +mp-16775,CdCu2,-3.0230567067,0.01737766,0.01737766,0.01737766,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Cd-Cu,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Cd-Cu, expected CdCu4 to be CdCu2" +mp-568315,CdCu2,-3.0330025871,0.0074317796,0.0074317796,0.0074317796,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Cd-Cu,24.0,"Invalid WP multiplicities - AB2_hP24_194_2e3f_4f4g4h:Cd-Cu, expected Cd5Cu16 to be CdCu2" +mp-30696,Cd5Cu2,-1.8088649482,0.0215439289,0.0215439289,0.0215439289,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Cd-Cu,28.0,A5B2_hP28_194_ahk_ch:Cd-Cu +mp-1183542,Cd,-0.90473076,0.0181589999999999,0.0181589999999999,0.0181589999999999,GGA,R-3m,A_hR3_166_a:Cd,1.0,A_hR3_166_a:Cd +mp-94,Cd,-0.90928185,0.01360791,0.01360791,0.01360791,GGA,P6_3/mmc,A_hP2_194_c:Cd,2.0,A_hP2_194_c:Cd +mp-1183591,Cd,-0.8884319975,0.0344577625,0.0344577625,0.0344577625,GGA,P6_3/mmc,A_hP4_194_ac:Cd,4.0,A_hP4_194_2a2c:Cd +mp-1096861,Cd,-0.92288976,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Cd,1.0,A_cF4_225_a:Cd +mp-2647135,Cd,-0.8575805999999999,0.06530916,0.06530916,0.06530916,GGA,Im-3m,A_cI2_229_a:Cd,1.0,A_cI2_229_a:Cd +mp-1080022,ZrCu,-6.4508883412,-0.1274346913,0.022505553,0.022505553,GGA,Cm,AB_mC16_8_2ab_2ab:Cu-Zr,8.0,AB_mC16_8_2ab_2ab:Cu-Zr +mp-1067210,ZrCu,-6.4485023875,-0.1250487375,0.0248915067,0.0248915067,GGA,P2_1/m,AB_mP4_11_e_e:Cu-Zr,4.0,AB_mP4_11_e_e:Cu-Zr +mp-2210,ZrCu,-6.43115911,-0.10770546,0.0422347842,0.0422347842,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Zr,2.0,AB_cP2_221_a_b:Cu-Zr +mp-1178625,Zr3Cd2,-2.62841613,2.869360152,2.984779916,2.984779916,GGA,Pmmm,A2B3_oP5_47_ae_bcd:Cd-Zr,5.0,A2B3_oP5_47_ae_bcd:Cd-Zr +mp-636095,Zr3Cd2,-4.3255974980000005,1.172178784,1.287598548,1.287598548,GGA,P4/mmm,A2B3_tP5_123_ab_cf:Cd-Zr,5.0,A2B3_tP5_123_ab_cf:Cd-Zr +mp-1077372,Zr2Cu,-7.1405078517,-0.0756385417,0.0584835883,0.014073031,GGA,C2/m,AB2_mC12_12_i_2i:Cu-Zr,6.0,AB2_mC12_12_i_2i:Cu-Zr +mp-193,Zr2Cu,-7.19899144,-0.13412213,0.0,-0.0444105573,GGA,I4/mmm,AB2_tI6_139_a_e:Cu-Zr,3.0,AB2_tI6_139_a_e:Cu-Zr +mp-583800,Zr2Cu,-7.1296831588,-0.0648138488,0.0693082812,0.0248977239,GGA,Fd-3m,AB2_cF96_227_e_cf:Cu-Zr,24.0,"Invalid WP multiplicities - AB2_cF96_227_e_2c2f:Cu-Zr, expected Zr4Cu to be Zr2Cu" +mp-30603,ZrCu5,-4.9570753617,-0.1164530317,0.0097814568,0.0097814568,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Zr,6.0,A5B_cF24_216_ae_c:Cu-Zr +mp-1072655,ZrCu2,-5.6996640533,-0.1176260633,0.0456308138,0.0456308138,GGA,Cmcm,A2B_oC12_63_g_c:Cu-Zr,6.0,A2B_oC12_63_g_c:Cu-Zr +mp-11293,ZrCdCu2,-4.5650542725,-0.14780334,0.0,-0.0029012067,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Cu-Zr,4.0,AB2C_cF16_225_a_c_b:Cd-Cu-Zr +mp-1018104,Zr2Cd,-6.1237530367,-0.11765603,0.0,-0.02957157,GGA,I4/mmm,AB2_tI6_139_a_e:Cd-Zr,3.0,AB2_tI6_139_a_e:Cd-Zr +mp-1188077,Zr7Cu10,-6.0892540171,-0.15831454,0.0,-0.0028693462,GGA,Cmce,A10B7_oC68_64_f2g_adef:Cu-Zr,34.0,"Invalid WP multiplicities - A10B7_oC68_64_f2g_a2def:Cu-Zr, expected Zr9Cu10 to be Zr7Cu10" +mp-1195821,Zr3Cu8,-5.4795082514,-0.1670759559,0.0,-0.0053493714,GGA,Pnma,A8B3_oP44_62_4c2d_cd:Cu-Zr,44.0,A8B3_oP44_62_4c2d_cd:Cu-Zr +mp-1216441,Zr14Cu51,-5.2204776311,-0.1631338005,0.0,-0.0234276014,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Cu-Zr,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Cu-Zr, expected Zr14Cu71 to be Zr14Cu51" +mp-1188030,Zr3Cd,-6.713987565,-0.0724896525,0.01575237,0.01575237,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Zr,4.0,AB3_tI8_139_a_bd:Cd-Zr +mp-1188029,Zr3Cd,-6.7184346825,-0.07693677,0.0113052525,0.0113052525,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Zr,4.0,AB3_cP4_221_a_c:Cd-Zr +mp-11313,ZrCd3,-2.932771845,-0.1036793675,0.0,-0.0484894475,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Zr,4.0,A3B_cP4_221_c_a:Cd-Zr +mp-580287,Zr3Cu,-7.402646435,0.032930705,0.1335223025,0.1335223025,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Zr,4.0,AB3_cP4_221_a_c:Cu-Zr +mp-1188040,ZrCu3,-5.2891021925,-0.0777720325,0.0877414838,0.0877414838,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Zr,8.0,A3B_hP8_194_h_c:Cu-Zr +mp-1206389,ZrCd,-4.18864042,0.546654775,0.65872014,0.65872014,GGA,P4/mmm,AB_tP4_123_g_g:Cd-Zr,4.0,AB_tP4_123_g_g:Cd-Zr +mp-1017540,ZrCd,-4.845675035,-0.11037984,0.001685525,0.001685525,GGA,P4/nmm,AB_tP4_129_c_c:Cd-Zr,4.0,AB_tP4_129_c_c:Cd-Zr +mp-33,Ru,-9.27440254,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP2_194_c:Ru,2.0,A_hP2_194_c:Ru +mp-8639,Ru,-9.16714577,0.10725677,0.10725677,0.10725677,GGA,Fm-3m,A_cF4_225_a:Ru,1.0,A_cF4_225_a:Ru +mp-979953,Yb3Ta,-3.4619144125,0.657236205,0.657236205,0.657236205,GGA,I4/mmm,AB3_tI8_139_a_bd:Ta-Yb,,AB3_tI8_139_a_bd:Ta-Yb +mp-972364,Yb,-1.53960828,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Yb,,A_hR9_166_ac:Yb +mp-141,Yb,-1.52593039,0.01367789,0.01367789,0.01367789,GGA,P6_3/mmc,A_hP2_194_c:Yb,,A_hP2_194_c:Yb +mp-1187875,Yb,-1.5243665525,0.0152417275,0.0152417275,0.0152417275,GGA,P6_3/mmc,A_hP4_194_ac:Yb,,A_hP4_194_2a2c:Yb +mp-162,Yb,-1.53679337,0.00281491,0.00281491,0.00281491,GGA,Fm-3m,A_cF4_225_a:Yb,,A_cF4_225_a:Yb +mp-71,Yb,-1.52241528,0.017193,0.017193,0.017193,GGA,Im-3m,A_cI2_229_a:Yb,,A_cI2_229_a:Yb +mp-1217988,Ta3Ru,-11.3163548075,-0.10442095,0.11212053,0.0729795881,GGA,Cmmm,AB3_oC8_65_b_ck:Ru-Ta,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Ru-Ta, expected Ta5Ru to be Ta3Ru" +mp-977390,Ta3Ru,-11.4284753375,-0.21654148,0.0,-0.0391409419,GGA,Fm-3m,AB3_cF16_225_a_bc:Ru-Ta,4.0,AB3_cF16_225_a_bc:Ru-Ta +mp-1217908,TaRu,-10.70591751,-0.139827425,0.17970442,0.1223766279,GGA,Cmmm,AB_oC4_65_a_c:Ru-Ta,2.0,AB_oC4_65_a_c:Ru-Ta +mp-1601,TaRu,-10.88562193,-0.319531845,0.0,-0.0573277921,GGA,P4/mmm,AB_tP2_123_a_d:Ru-Ta,2.0,AB_tP2_123_a_d:Ru-Ta +mp-12110,TaRu,-10.85210212,-0.286012035,0.03351981,-0.0238079821,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Ta,2.0,AB_cP2_221_a_b:Ru-Ta +mp-981458,YbTa,-6.009815605,0.68887735,0.68887735,0.68887735,GGA,P-6m2,AB_hP2_187_a_d:Ta-Yb,,AB_hP2_187_a_d:Ta-Yb +mp-979937,Yb3Ru,-3.3633820375,0.1099248075,0.1527632844,0.1527632844,GGA,Fm-3m,AB3_cF16_225_a_bc:Ru-Yb,,AB3_cF16_225_a_bc:Ru-Yb +mp-567116,YbRu,-5.19987574,0.20712967,0.2928066237,0.2928066237,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Yb,,AB_cP2_221_a_b:Ru-Yb +mp-1218044,Ta3Ru2,-11.108268455,-0.283840861,0.0,-0.005505162,GGA,P4/mmm,A2B3_tP10_123_2g_ad2h:Ru-Ta,10.0,"Invalid WP multiplicities - A2B3_tP10_123_3g_ad3h:Ru-Ta, expected Ta4Ru3 to be Ta3Ru2" +mp-1102295,YbRu2,-6.810373725,-0.1142359383,0.0,-0.1142359383,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Yb,,A2B_hP12_194_ah_f:Ru-Yb +mp-865172,YbTaRu2,-8.2360579575,-0.24951021,0.0,-0.0469058106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Yb,,A2BC_cF16_225_c_a_b:Ru-Ta-Yb +mp-1215845,Yb2Ru,-4.1065114967,0.0113615367,0.0684795058,0.0684795058,GGA,P4/mmm,AB2_tP3_123_a_h:Ru-Yb,,AB2_tP3_123_a_h:Ru-Yb +mp-1217912,TaRu3,-9.8906272025,0.02961911,0.2377311425,0.1893850325,GGA,P-6m2,A3B_hP4_187_ah_b:Ru-Ta,4.0,A3B_hP4_187_ah_b:Ru-Ta +mp-1187258,TaRu3,-10.1111141062,-0.1908677937,0.0172442388,-0.0311018713,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ru-Ta,8.0,A3B_hP8_194_h_c:Ru-Ta +mp-867816,TaRu3,-10.128358345,-0.2081120325,0.0,-0.04834611,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Ta,4.0,A3B_cP4_221_c_a:Ru-Ta +mp-1197394,Tb11Cd45,-1.8914863583,-0.2395566029,0.0,-0.0182902564,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Tb,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Tb +mp-1192934,Tb6Cu23,-4.3974504969,-0.1875211862,0.0197246753,0.0197246753,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Cu-Tb,29.0,A23B6_cF116_225_ad2f_e:Cu-Tb +mp-570403,TbCd3,-2.1323705587,-0.2816117137,0.0,-0.0115059124,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Tb,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c2g_c:Cd-Tb, expected TbCd6 to be TbCd3" +mp-30498,TbCd3,-2.1293215488,-0.2785627038,0.00304901,-0.0084569024,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Tb,8.0,A3B_hP8_194_h_c:Cd-Tb +mp-30497,TbCd2,-2.4776753167,-0.3176267767,0.0,-0.0231753992,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Tb,3.0,A2B_hP3_191_c_b:Cd-Tb +mp-1208521,Tb2CdCu2,-3.972780233,-0.294773173,0.0,-0.007912744,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Tb,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Tb +mp-1837,TbCu,-4.60589193,-0.239105545,0.0,-0.0405953613,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Tb,2.0,AB_cP2_221_a_b:Cu-Tb +mp-1527,TbCu2,-4.5422733917,-0.264680245,0.0,-0.05064183,GGA,Imma,A2B_oI12_74_h_e:Cu-Tb,6.0,A2B_oI12_74_h_e:Cu-Tb +mp-721,TbCd,-3.098758635,-0.320130705,0.0,-0.0819106225,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Tb,2.0,AB_cP2_221_a_b:Cd-Tb +mp-11363,TbCu5,-4.3773711933,-0.188971285,0.0,-0.0379125517,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Tb,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c2g_a:Cu-Tb, expected TbCu10 to be TbCu5" +mp-1077262,TbCu5,-4.3707978050000005,-0.1823978967,0.0065733883,-0.0313391633,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Tb,6.0,A5B_cF24_216_ae_c:Cu-Tb +mp-1186925,SbAu3,-3.4393160625,0.0483457475,0.0794074508,0.0794074508,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Sb,4.0,A3B_tI8_139_ad_b:Au-Sb +mp-1186917,SbAu3,-3.4359276925,0.0517341175,0.0827958208,0.0827958208,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Sb,4.0,A3B_cP4_221_c_a:Au-Sb +mp-1219474,Sb3Au,-3.9890996525,-0.0738782225,0.0193068875,-0.0189372806,GGA,P4/mmm,AB3_tP4_123_a_bg:Au-Sb,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2g:Au-Sb, expected Sb5Au to be Sb3Au" +mp-29665,Sb3Au,-4.00840654,-0.09318511,0.0,-0.0382441681,GGA,Im-3m,AB3_cI8_229_a_b:Au-Sb,4.0,AB3_cI8_229_a_b:Au-Sb +mp-738,Sb2Au,-3.9172160825,-0.0732545892,0.0095766197,0.0095766197,GGA,Pa-3,AB2_cP12_205_a_c:Au-Sb,12.0,AB2_cP12_205_a_c:Au-Sb +mp-755435,Tl2Au,-2.6913881483,-0.0249987172,0.0131657783,-0.0249987172,GGA,I4/mcm,AB2_tI12_140_c_h:Au-Tl,6.0,AB2_tI12_140_c_h:Au-Tl +mp-30571,Tl2Au,-2.7045539267,-0.0381644956,0.0,-0.0381644956,GGA,I4/mcm,AB2_tI12_140_a_h:Au-Tl,6.0,AB2_tI12_140_a_h:Au-Tl +mp-978969,TlAu3,-2.9655449375,0.0805273492,0.094839035,0.094839035,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Tl,4.0,A3B_tI8_139_ad_b:Au-Tl +mp-1187508,TlAu3,-2.9373562175,0.1087160692,0.123027755,0.123027755,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Tl,4.0,A3B_cP4_221_c_a:Au-Tl +mp-1187532,Tl3Au,-2.5529891875,0.0374636725,0.0660870442,0.0660870442,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Tl,4.0,AB3_cP4_221_a_c:Au-Tl +mp-1080569,Tl3Au,-2.5496714375,0.0407814225,0.0694047942,0.0694047942,GGA,Pm-3n,AB3_cP8_223_a_c:Au-Tl,8.0,AB3_cP8_223_a_c:Au-Tl +mp-621624,Tl7Sb2,-2.8141560863,-0.0589889189,0.0,-0.0077378767,GGA,Im-3m,A2B7_cI54_229_e_afh:Sb-Tl,27.0,"Invalid WP multiplicities - A2B7_cI54_229_e_a7f7h:Sb-Tl, expected Tl47Sb2 to be Tl7Sb2" +mp-1002219,TlSb,-3.21323524,0.0325869533,0.071025235,0.071025235,GGA,F-43m,AB_cF8_216_a_c:Sb-Tl,2.0,AB_cF8_216_a_c:Sb-Tl +mp-6958,TlSb,-3.17401595,0.0718062433,0.110244525,0.110244525,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Tl,2.0,AB_cP2_221_a_b:Sb-Tl +mp-542839,TlSbAu,-3.4160781138000003,-0.1609026515,0.0,-0.1004047993,GGA,Pna2_1,ABC_oP24_33_2a_2a_2a:Au-Sb-Tl,24.0,ABC_oP24_33_2a_2a_2a:Au-Sb-Tl +mp-1187486,Tl3Sb,-2.8618900925,-0.0576574225,0.0,-0.0007752507,GGA,Pm-3m,AB3_cP4_221_a_c:Sb-Tl,4.0,AB3_cP4_221_a_c:Sb-Tl +mp-865752,YbGa2Ir,-4.68511033,-0.5765517037,0.0442583598,0.0442583598,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ir-Yb,,A2BC_cF16_225_c_a_b:Ga-Ir-Yb +mp-1207594,Yb4Ir,-2.934880906,0.064492554,0.309823096,0.309823096,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Yb,,AB4_cF40_227_a_e:Ir-Yb +mp-1584,YbIr2,-7.0310739417,-0.6255817283,0.0,-0.3802511863,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Yb,,A2B_cF24_227_c_b:Ir-Yb +mp-1181401,Ga5Ir3,-5.4806009844,-0.2736281528,0.2088660531,0.1642691981,GGA,P-4n2,A5B3_tP32_118_f2i_aceh:Ga-Ir,32.0,"Invalid WP multiplicities - A5B3_tP32_118_3f12i_2ac3e3h:Ga-Ir, expected Ga18Ir5 to be Ga5Ir3" +mp-1212680,Ga5Ir3,-5.6894670375,-0.4824942059,0.0,-0.044596855,GGA,P-4n2,A5B3_tP32_118_f2i_aceh:Ga-Ir,32.0,A5B3_tP32_118_f2i_aceh:Ga-Ir +mp-1207617,Yb2(Ga3Ir)3,-4.6848099296,-0.6242825509000001,0.0,-0.0859551125,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Yb,,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Yb +mp-1102309,Yb2Ga,-2.38620369,-0.3504328292,0.0,-0.044046955,GGA,Pnma,AB2_oP12_62_c_2c:Ga-Yb,,AB2_oP12_62_c_2c:Ga-Yb +mp-570425,YbGa5,-3.1106512767,-0.3306365446,0.0104044454,0.0104044454,GGA,I4/mmm,A5B_tI24_139_d2eg_e:Ga-Yb,,"Invalid WP multiplicities - A5B_tI24_139_2d3e2g_e:Ga-Yb, expected YbGa9 to be YbGa5" +mp-1101830,Yb3Ga8,-3.10742294,-0.48527812,0.0349833736,0.0349833736,GGA,Immm,A8B3_oI22_71_2e2f_af:Ga-Yb,,A8B3_oI22_71_2e2f_af:Ga-Yb +mp-1068803,YbGa4,-3.136292086,-0.405893612,0.003355576,-0.0188300267,GGA,C2/m,A4B_mC10_12_hi_a:Ga-Yb,,A4B_mC10_12_hi_a:Ga-Yb +mp-1088,YbGa4,-3.139647662,-0.409249188,0.0,-0.0221856027,GGA,I4/mmm,A4B_tI10_139_de_a:Ga-Yb,,"Invalid WP multiplicities - A4B_tI10_139_d2e_a:Ga-Yb, expected YbGa6 to be YbGa4" +mp-13449,YbGa2,-3.07944795,-0.5475145083,0.06525724,-0.0829818177,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Yb,,A2B_hP3_191_c_b:Ga-Yb +mp-2178,YbGa2,-3.14470519,-0.6127717483,0.0,-0.1482390577,GGA,P6_3/mmc,A2B_hP6_194_f_b:Ga-Yb,,A2B_hP6_194_f_b:Ga-Yb +mp-11388,GaIr,-6.332239545,-0.3989744438,0.0,-0.012979079,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Ir,2.0,AB_cP2_221_a_b:Ga-Ir +mp-1105061,Yb3Ga8Ir3,-4.5348253621,-0.5806185364,0.0408915236,0.0408915236,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Yb,,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Yb +mp-1198012,Yb5Ir3,-4.7311008281,-0.4544328356,0.0055619306,-0.1025431134,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Yb,,A3B5_tP32_130_cf_bg:Ir-Yb +mp-1189800,Yb5Ir3,-4.7366627587,-0.4599947662,0.0,-0.1081050441,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Yb,,A3B5_hP16_193_g_dg:Ir-Yb +mp-31253,Ga2Ir,-5.4157470617,-0.4508716533,0.0,-0.0053801727,GGA,Cmcm,A2B_oC36_63_2c2f_cf:Ga-Ir,18.0,"Invalid WP multiplicities - A2B_oC36_63_2c3f_cf:Ga-Ir, expected Ga8Ir3 to be Ga2Ir" +mp-568705,YbIr,-5.508259155,-0.319237925,0.2117226821,0.2117226821,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Yb,,AB_cP2_221_a_b:Ir-Yb +mp-1208130,YbGa6,-1.3772353,1.4382196164,1.730540465,1.730540465,GGA,P4/mmm,A6B_tP14_123_is_e:Ga-Yb,,A6B_tP14_123_is_e:Ga-Yb +mp-1104639,YbGa6,-3.0988317621,-0.2833768457,0.0089440029,0.0089440029,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Yb,,A6B_tP14_125_gm_c:Ga-Yb +mp-1189634,Ga3Ir,-4.8352101119,-0.35452955,0.0193775576,0.0193775576,GGA,P4_2/mnm,A3B_tP16_136_cj_f:Ga-Ir,16.0,A3B_tP16_136_cj_f:Ga-Ir +mp-31311,Ga9Ir2,-4.3954572577,-0.3109361157,0.0,-0.053096443,GGA,Pc,A9B2_mP22_7_9a_2a:Ga-Ir,22.0,A9B2_mP22_7_9a_2a:Ga-Ir +mp-1191262,Ga9Ir2,-4.3937486695,-0.3092275275,0.0017085882,-0.0513878548,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Ga-Ir,22.0,A9B2_mP22_14_a4e_e:Ga-Ir +mp-569360,Hg,-0.3024057167,0.0012746483,0.0012746483,0.0012746483,GGA,C2/m,A_mC6_12_ai:Hg,3.0,A_mC6_12_ai:Hg +mp-1077098,Hg,-0.28573679,0.017943575,0.017943575,0.017943575,GGA,P2_1/c,A_mP6_14_ae:Hg,6.0,A_mP6_14_ae:Hg +mp-1224431,Hg,-0.2630577338,0.0406226312,0.0406226312,0.0406226312,GGA,Ama2,A_oC68_40_2a5b5c:Hg,34.0,A_oC68_40_4a10b16c:Hg +mp-975272,Hg,-0.302625715,0.00105465,0.00105465,0.00105465,GGA,Cmcm,A_oC4_63_c:Hg,2.0,A_oC4_63_c:Hg +mp-1546032,Hg,-0.2954548617,0.0082255033,0.0082255033,0.0082255033,GGA,Cmce,A_oC12_64_af:Hg,6.0,A_oC12_64_af:Hg +mp-1181096,Hg,-0.2910382999999999,0.012642065,0.012642065,0.012642065,GGA,Fmmm,A_oF4_69_a:Hg,1.0,A_oF4_69_a:Hg +mp-1184687,Hg,-0.28448253,0.019197835,0.019197835,0.019197835,GGA,Fmmm,A_oF8_69_g:Hg,2.0,A_oF8_69_g:Hg +mp-1096992,Hg,-0.2754540475,0.0282263175,0.0282263175,0.0282263175,GGA,I-42d,A_tI8_122_d:Hg,4.0,A_tI8_122_d:Hg +mp-569289,Hg,-0.2961188999999999,0.007561465,0.007561465,0.007561465,GGA,I4/mmm,A_tI2_139_a:Hg,1.0,A_tI2_139_a:Hg +mp-1184591,Hg,-0.278943295,0.02473707,0.02473707,0.02473707,GGA,I4_1/amd,A_tI4_141_a:Hg,2.0,A_tI4_141_a:Hg +mp-611219,Hg,-0.21932567,0.084354695,0.084354695,0.084354695,GGA,R-3m,A_hR3_166_a:Hg,1.0,A_hR3_166_a:Hg +mp-982872,Hg,-0.28320923,0.020471135,0.020471135,0.020471135,GGA,R-3m,A_hR3_166_a:Hg,1.0,A_hR3_166_a:Hg +mp-1184569,Hg,-0.27885665,0.024823715,0.024823715,0.024823715,GGA,R-3m,A_hR3_166_a:Hg,1.0,A_hR3_166_a:Hg +mp-2629196,Hg,-0.3028278267,0.0008525383,0.0008525383,0.0008525383,GGA,R-3m,A_hR9_166_ac:Hg,3.0,A_hR9_166_ac:Hg +mp-10861,Hg,-0.3007846233,0.0028957417,0.0028957417,0.0028957417,GGA,P6/mmm,A_hP3_191_ad:Hg,3.0,A_hP3_191_ad:Hg +mp-1184554,Hg,-0.303680365,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP2_194_c:Hg,2.0,A_hP2_194_c:Hg +mp-1184709,Hg,-0.297118285,0.00656208,0.00656208,0.00656208,GGA,P6_3/mmc,A_hP4_194_ac:Hg,4.0,A_hP4_194_2a2c:Hg +mp-1184766,Hg,-0.3029616025,0.0007187625,0.0007187625,0.0007187625,GGA,P4_132,A_cP20_213_cd:Hg,20.0,A_cP20_213_8c9d:Hg +mp-864900,Hg,-0.3021916334,0.0014887316,0.0014887316,0.0014887316,GGA,I-43m,A_cI58_217_ac2g:Hg,29.0,A_cI58_217_a4c9g:Hg +mp-1184657,Hg,-0.2985949812,0.0050853838,0.0050853838,0.0050853838,GGA,Pm-3n,A_cP8_223_ac:Hg,8.0,A_cP8_223_2a2c:Hg +mp-753304,Hg,-0.29137629,0.012304075,0.012304075,0.012304075,GGA,Fm-3m,A_cF4_225_a:Hg,1.0,A_cF4_225_a:Hg +mp-1017981,Hg,-0.30259183,0.001088535,0.001088535,0.001088535,GGA,Im-3m,A_cI2_229_a:Hg,1.0,A_cI2_229_a:Hg +mp-1187980,Yb3Pb,-2.4667620187,-0.3838940412,0.0279682594,0.0279682594,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Yb,,AB3_hP8_194_c_h:Pb-Yb +mp-1187953,Yb3Pb,-2.4466376,-0.3637696225,0.0480926781,0.0480926781,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Yb,,AB3_cP4_221_a_c:Pb-Yb +mp-1223984,HgPb3,-2.8282253475,0.0321800463,0.0321800463,0.0321800463,GGA,P4/mmm,AB3_tP4_123_a_bh:Hg-Pb,4.0,AB3_tP4_123_a_bh:Hg-Pb +mp-21430,YbPb3,-3.484290865,-0.3149034925,0.0,-0.0395604875,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Yb,,A3B_cP4_221_c_a:Pb-Yb +mp-865908,Yb2HgPb,-2.4309357875,-0.6570497888,0.0,-0.0628102575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pb-Yb,,ABC2_cF16_225_a_b_c:Hg-Pb-Yb +mp-1224108,HgPb4,-2.998746452,0.032107277,0.032107277,0.032107277,GGA,R-3m,AB4_hR15_166_a_2c:Hg-Pb,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Hg-Pb, expected HgPb6 to be HgPb4" +mp-571493,YbHgPb,-2.2449233383,-0.3929447667,0.0819182321,0.0819182321,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Hg-Pb-Yb,,ABC_hP6_194_c_d_a:Hg-Pb-Yb +mp-2673,YbPb,-3.176813685,-0.5506860100000001,0.0,-0.0952347725,GGA,P4/mmm,AB_tP2_123_a_d:Pb-Yb,,AB_tP2_123_a_d:Pb-Yb +mp-1062824,YbHg2,-1.2041910533,-0.4885347167,0.0258201108,0.0258201108,GGA,P-3m1,A2B_hP3_164_d_a:Hg-Yb,,A2B_hP3_164_d_a:Hg-Yb +mp-570749,YbHg2,-1.2052947633,-0.4896384267,0.0247164008,0.0247164008,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Yb,,A2B_hP3_191_c_b:Hg-Yb +mp-1184700,Hg3Pb,-1.0999974887,0.0559245525,0.0559245525,0.0559245525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Pb,8.0,A3B_hP8_194_h_c:Hg-Pb +mp-2545,YbHg,-1.559437375,-0.6377930525000001,0.0,-0.2705642325,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Yb,,AB_cP2_221_a_b:Hg-Yb +mp-571634,Yb5Pb3,-2.8591167513,-0.504618925,0.0449148781,0.0449148781,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Yb,,"Invalid WP multiplicities - A3B5_hP16_193_g_2d2g:Pb-Yb, expected Yb10Pb3 to be Yb5Pb3" +mp-1216297,Yb14Hg51,-0.9138085768,-0.3439283532,0.0460347244,0.0460347244,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Hg-Yb,,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Hg-Yb, expected Yb14Hg71 to be Yb14Hg51" +mp-865171,YbHg3,-1.0652980588,-0.452635715,0.0,-0.0659446229,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Yb,,A3B_hP8_194_h_c:Hg-Yb +mp-11544,Yb2Pb,-2.8131042775,-0.5491497342,0.0,-0.0847724371,GGA,Pnma,AB2_oP12_62_c_2c:Pb-Yb,,AB2_oP12_62_c_2c:Pb-Yb +mp-972941,NaBi3,-3.3501084012,-0.1391102304,0.0193972638,0.0193972638,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Na,8.0,A3B_hP8_194_h_c:Bi-Na +mp-1210348,NaIn2,-2.1917972758,0.0835003086,0.1784494875,0.1784494875,GGA,Fd-3m,A2B_cF48_227_e_c:In-Na,12.0,A2B_cF48_227_e_c:In-Na +mp-2030206,InBi,-3.273436355,0.022650075,0.0485873875,0.022650075,GGA,P4/mmm,AB_tP2_123_a_d:Bi-In,2.0,AB_tP2_123_a_d:Bi-In +mp-23313,InBi,-3.3220237425,-0.0259373125,0.0,-0.0259373125,GGA,P4/nmm,AB_tP4_129_c_a:Bi-In,4.0,AB_tP4_129_c_a:Bi-In +mp-569765,InBi,-3.260538885,0.035547545,0.0614848575,0.035547545,GGA,P4/nmm,AB_tP4_129_a_c:Bi-In,4.0,AB_tP2_123_a_d:Bi-In +mp-1001833,InBi,-3.29608368,2.75e-06,0.0259400625,2.75e-06,GGA,F-43m,AB_cF8_216_a_c:Bi-In,2.0,AB_cF8_216_a_c:Bi-In +mp-1055994,In,-2.72188849,0.02979524,0.02979524,0.02979524,GGA,I4/mmm,A_tI2_139_a:In,1.0,A_tI2_139_a:In +mp-1184502,In,-2.75168373,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:In,3.0,A_hR9_166_ac:In +mp-973111,In,-2.7039832,0.04770053,0.04770053,0.04770053,GGA,P6_3/mmc,A_hP2_194_c:In,2.0,A_hP2_194_c:In +mp-1184511,In,-2.7014489075,0.0502348225,0.0502348225,0.0502348225,GGA,P6_3/mmc,A_hP4_194_ac:In,4.0,A_hP4_194_2a2c:In +mp-1184693,In,-2.6983742852,0.0533094448,0.0533094448,0.0533094448,GGA,I-43m,A_cI58_217_ac2g:In,29.0,A_cI58_217_a4c10g:In +mp-85,In,-2.71487315,0.03681058,0.03681058,0.03681058,GGA,Fm-3m,A_cF4_225_a:In,1.0,A_cF4_225_a:In +mp-1184478,In,-2.71684631,0.03483742,0.03483742,0.03483742,GGA,Im-3m,A_cI2_229_a:In,1.0,A_cI2_229_a:In +mp-22924,NaBi,-2.8985222,-0.3170149883,0.0,-0.0565945013,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Na,2.0,AB_tP2_123_a_d:Bi-Na +mp-1184488,In3Bi,-2.9979664475,0.0259186325,0.0388872887,0.0388872887,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-In,4.0,AB3_cP4_221_a_c:Bi-In +mp-1186158,NaIn3,-2.4651822925,-0.0707881716,0.00402375,-0.003176325,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Na,4.0,A3B_tI8_139_ad_b:In-Na +mp-864754,NaIn3,-2.465889395,-0.0714952741,0.0033166475,-0.0038834275,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Na,8.0,A3B_hP8_194_h_c:In-Na +mp-976589,NaIn3,-2.4692060425,-0.0748119216,0.0,-0.007200075,GGA,Pm-3m,A3B_cP4_221_c_a:In-Na,4.0,A3B_cP4_221_c_a:In-Na +mp-580161,Na3InBi2,-2.6971921122,-0.2971524672,0.0,-0.0114013918,GGA,P2_1/c,A2BC3_mP72_14_6e_3e_9e:Bi-In-Na,72.0,"Invalid WP multiplicities - A2BC3_mP72_14_22e_10e_32e:Bi-In-Na, expected Na16In5Bi11 to be Na3InBi2" +mp-31430,Na2In,-1.9088653412,-0.1099539023,0.0,-0.0198047734,GGA,C222_1,AB2_oC48_20_2c_ab3c:In-Na,24.0,AB2_oC48_20_2c_ab3c:In-Na +mp-1222586,Na3In2Bi3,-2.8129194416,-0.1888681003,0.0488931409,0.0488931409,GGA,Pm,A3B2C3_mP32_6_6a6b_2a6b_6a6b:Bi-In-Na,32.0,A3B2C3_mP32_6_6a6b_2a6b_6a6b:Bi-In-Na +mp-1223901,InBi3,-3.5392517675,0.0290360125,0.0420046687,0.0420046687,GGA,C222,A3B_oC8_21_ak_c:Bi-In,4.0,A3B_oC8_21_ak_c:Bi-In +mp-23180,In5Bi3,-3.1248576362,0.0351281188,0.0545811031,0.0545811031,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Bi-In,16.0,A3B5_tI32_140_ah_cl:Bi-In +mp-27838,Na3Bi,-2.3337469962,-0.3817307437,0.0,-0.2232232495,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Bi-Na,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Bi-Na, expected Na5Bi to be Na3Bi" +mp-977189,Na3Bi,-2.33285247,-0.3808362174,0.0008945262,-0.2223287233,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Na,4.0,AB3_cF16_225_a_bc:Bi-Na +mp-1223990,In4Bi,-2.910817292,0.058627518,0.069002443,0.069002443,GGA,C2/m,AB4_mC10_12_a_2i:Bi-In,5.0,"Invalid WP multiplicities - AB4_mC10_12_a_3i:Bi-In, expected In6Bi to be In4Bi" +mp-1097229,NaIn2Bi,-1.965379495,0.7012159759000001,0.85972347,0.85972347,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-In-Na,4.0,AB2C_oI8_71_a_e_b:Bi-In-Na +mp-1079952,Na,-1.2362134962,0.0863117972,0.0863117972,0.0863117972,GGA,Pnma,A_oP8_62_2c:Na,8.0,A_oP8_62_2c:Na +mp-127,Na,-1.3102012,0.0123240934,0.0123240934,0.0123240934,GGA,Im-3m,A_cI2_229_a:Na,1.0,A_cI2_229_a:Na +mp-974920,Na,-1.31001461,0.0125106834,0.0125106834,0.0125106834,GGA,I4/mmm,A_tI2_139_a:Na,1.0,A_tI2_139_a:Na +mp-973198,Na,-1.3146522167,0.0078730768,0.0078730768,0.0078730768,GGA,R-3m,A_hR9_166_ac:Na,3.0,A_hR9_166_ac:Na +mp-10172,Na,-1.312223005,0.0103022884,0.0103022884,0.0103022884,GGA,P6_3/mmc,A_hP2_194_c:Na,2.0,A_hP2_194_c:Na +mp-999501,Na,-1.1985561325,0.1239691609,0.1239691609,0.1239691609,GGA,P6_3/mmc,A_hP4_194_ac:Na,4.0,A_hP4_194_ac:Na +mp-982370,Na,-1.3106778975,0.0118473959,0.0118473959,0.0118473959,GGA,P6_3/mmc,A_hP4_194_ac:Na,4.0,A_hP4_194_2a2c:Na +mp-1186055,Na,-1.297696866,0.0248284274,0.0248284274,0.0248284274,GGA,P4_132,A_cP20_213_cd:Na,20.0,A_cP20_213_8c9d:Na +mp-1221597,Na,-0.91174199,0.4107833034,0.4107833034,0.4107833034,GGA,F-43m,A_cF24_216_abe:Na,6.0,A_cF24_216_abe:Na +mp-1186081,Na,-1.3225252934,0.0,0.0,0.0,GGA,I-43m,A_cI58_217_ac2g:Na,29.0,A_cI58_217_a4c10g:Na +mp-567772,Na,-1.3095472038,0.0129780897,0.0129780897,0.0129780897,GGA,I-43d,A_cI16_220_c:Na,8.0,A_cI16_220_c:Na +mp-689577,Na,-0.23878791,1.0837373834,1.0837373834,1.0837373834,GGA,Pm-3m,A_cP1_221_a:Na,1.0,A_cP1_221_a:Na +mp-1186040,Na,-1.3046253862,0.0178999072,0.0178999072,0.0178999072,GGA,Pm-3n,A_cP8_223_ac:Na,8.0,A_cP8_223_2a2c:Na +mp-974558,Na,-1.31163779,0.0108875034,0.0108875034,0.0108875034,GGA,Fm-3m,A_cF4_225_a:Na,1.0,A_cF4_225_a:Na +mp-1223979,In2Bi,-3.0847021633,0.0299166999999999,0.0472082417,0.0472082417,GGA,Fmmm,AB2_oF12_69_a_g:Bi-In,3.0,AB2_oF12_69_a_g:Bi-In +mp-1223757,In2Bi,-3.0846503733,0.02996849,0.0472600317,0.0472600317,GGA,P-6m2,AB2_hP3_187_a_cf:Bi-In,3.0,AB2_hP3_187_a_cf:Bi-In +mp-571172,In2Bi,-3.0415186033,0.07310026,0.0903918017,0.0903918017,GGA,P6/mmm,AB2_hP3_191_a_d:Bi-In,3.0,AB2_hP3_191_a_d:Bi-In +mp-23188,In2Bi,-3.1029324067,0.0116864567,0.0289779983,0.0289779983,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Bi-In,6.0,AB2_hP6_194_c_ad:Bi-In +mp-20628,NaIn,-2.172328205,-0.1352236933,0.0,-0.0393265832,GGA,Fd-3m,AB_cF16_227_a_b:In-Na,4.0,AB_cF16_227_a_b:In-Na +mp-864758,Na3In,-1.7170645750000002,-0.0372496724,0.0452157543,0.0452157543,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Na,4.0,AB3_tI8_139_a_bd:In-Na +mp-1186047,Na3In,-1.72793756,-0.0481226574,0.0343427693,0.0343427693,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Na,4.0,AB3_cF16_225_a_bc:In-Na +mp-1096344,Na2InBi,-1.405350295,0.9039555667,1.1797753815,1.1797753815,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-In-Na,4.0,ABC2_oI8_71_a_b_e:Bi-In-Na +mp-1207442,Zr4Ir,-8.158404823,0.447442517,0.8671324185,0.8671324185,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Zr,10.0,AB4_cF40_227_a_e:Ir-Zr +mp-30748,Zr3Ir,-9.1449963944,-0.5246123769000001,0.0,-0.0233829731,GGA,I-42m,AB3_tI32_121_f_g2i:Ir-Zr,16.0,AB3_tI32_121_f_g2i:Ir-Zr +mp-1438,ZrIr3,-9.4915085825,-0.7257577900000001,0.0,-0.2058901388,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Zr,4.0,A3B_cP4_221_c_a:Ir-Zr +mp-1187996,Yb3Zr,-2.9457112012,0.3459201662,0.3459201662,0.3459201662,GGA,P6_3/mmc,A3B_hP8_194_h_c:Yb-Zr,,A3B_hP8_194_h_c:Yb-Zr +mp-979940,Yb3Zr,-2.9245692925,0.367062075,0.367062075,0.367062075,GGA,Fm-3m,A3B_cF16_225_ac_b:Yb-Zr,,A3B_cF16_225_ac_b:Yb-Zr +mp-715,ZrIr2,-9.434679865,-0.6931568683,0.0782474688,0.0782474688,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Zr,6.0,A2B_cF24_227_c_b:Ir-Zr +mp-568992,ZrIr,-9.5557648363,-0.8626974312000001,0.0,-0.1264347376,GGA,Cmcm,AB_oC16_63_2c_2c:Ir-Zr,8.0,AB_oC16_63_4c_4c:Ir-Zr +mp-1017541,ZrIr,-9.482976495,-0.78990909,0.0727883412,-0.0536463964,GGA,P4/mmm,AB_tP2_123_a_d:Ir-Zr,2.0,AB_tP2_123_a_d:Ir-Zr +mp-11484,ZrIr,-9.474422475,-0.78135507,0.0813423612,-0.0450923764,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Zr,2.0,AB_cP2_221_a_b:Ir-Zr +mp-30749,Zr5Ir3,-9.3982408567,-0.7415151454000001,0.0,-0.0246113839,GGA,P6_122,A3B5_hP48_178_ac_a2bc:Ir-Zr,48.0,A3B5_hP48_178_ac_a2bc:Ir-Zr +mp-1188697,Zr5Ir3,-9.3889717969,-0.7322460856,0.0092690598,-0.0153423241,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Zr,16.0,A3B5_hP16_193_g_dg:Ir-Zr +mp-1077297,Zr2Ir,-9.312917685,-0.6683058717,0.0009083509,0.0009083509,GGA,I4/mcm,AB2_tI12_140_a_h:Ir-Zr,6.0,AB2_tI12_140_a_h:Ir-Zr +mp-1191706,Zr2Ir,-9.2709322788,-0.6263204654,0.0428937572,0.0428937572,GGA,Fd-3m,AB2_cF96_227_e_cf:Ir-Zr,24.0,AB2_cF96_227_e_cf:Ir-Zr +mp-1187806,YbZrIr2,-7.6315896875,-0.69054537,0.0062836492,0.0062836492,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Yb-Zr,,A2BC_cF16_225_c_a_b:Ir-Yb-Zr +mp-1211963,La8Sb14Pt17,-6.0477158944,-0.9066045959,0.0,-0.0466268755,GGA,I4cm,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:La-Pt-Sb,78.0,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:La-Pt-Sb +mp-1832,LaPt5,-6.633971265,-0.7520256475,0.0,-0.18422691,GGA,P6/mmm,AB5_hP6_191_a_cg:La-Pt,6.0,AB5_hP6_191_a_cg:La-Pt +mp-15659,Sb2Pt3,-5.6548746560000005,-0.360594168,0.04855285,0.04855285,GGA,Ibam,A3B2_oI20_72_aj_j:Pt-Sb,10.0,A3B2_oI20_72_aj_j:Pt-Sb +mp-1223,La4Sb3,-5.8066845729,-1.2165371243,0.0,-0.0191243468,GGA,I-43d,A4B3_cI28_220_c_a:La-Sb,14.0,A4B3_cI28_220_c_a:La-Sb +mp-562,Sb2Pt,-5.2552997842,-0.4789211842,0.0,-0.1379653358,GGA,Pa-3,AB2_cP12_205_a_c:Pt-Sb,12.0,AB2_cP12_205_a_c:Pt-Sb +mp-1104856,La3Pt4,-6.7264291193,-1.1417784629,0.0,-0.0049231064,GGA,R-3,A3B4_hR42_148_f_abf:La-Pt,14.0,A3B4_hR42_148_f_abf:La-Pt +mp-2845,SbPt,-5.6115010525,-0.5114337725,0.0,-0.1064669734,GGA,P6_3/mmc,AB_hP4_194_a_c:Pt-Sb,4.0,AB_hP4_194_a_c:Pt-Sb +mp-1189501,La7Pt3,-6.056072141,-0.7795271715000001,0.0,-0.0501734202,GGA,P6_3mc,A7B3_hP20_186_b2c_c:La-Pt,20.0,A7B3_hP20_186_b2c_c:La-Pt +mp-912,LaPt2,-6.7688333767,-1.0760754617,0.0,-0.0760252953,GGA,Fd-3m,AB2_cF24_227_a_d:La-Pt,6.0,AB2_cF24_227_a_d:La-Pt +mp-1222889,LaSbPt,-5.8335007083,-0.7881201533000001,0.3110012895,0.3110012895,GGA,C2/m,ABC_mC12_12_i_i_i:La-Pt-Sb,6.0,ABC_mC12_12_i_i_i:La-Pt-Sb +mp-961702,LaSbPt,-5.7648802967,-0.7194997417,0.3796217011,0.3796217011,GGA,F-43m,ABC_cF12_216_a_b_c:La-Pt-Sb,3.0,ABC_cF12_216_a_b_c:La-Pt-Sb +mp-1104753,La3Pt2,-6.3625292593000005,-0.9724716683,0.0085120562,0.0085120562,GGA,R-3,A3B2_hR45_148_acf_f:La-Pt,15.0,A3B2_hR45_148_acf_f:La-Pt +mp-1030,SbPt7,-5.9221788238,-0.0938120138,0.0340464294,0.0340464294,GGA,Fm-3m,A7B_cF32_225_ad_b:Pt-Sb,8.0,A7B_cF32_225_ad_b:Pt-Sb +mp-1106084,La5Sb3,-5.7064365669,-1.0730566612,0.0061642741,0.0061642741,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:La-Sb,16.0,A5B3_hP16_193_dg_g:La-Sb +mp-973354,SbPt3,-5.7402927675,-0.1546924675,0.1010244188,0.1010244188,GGA,I4/mmm,A3B_tI8_139_ad_b:Pt-Sb,4.0,A3B_tI8_139_ad_b:Pt-Sb +mp-1078755,SbPt3,-5.8228333013,-0.2372330012,0.018483885,0.018483885,GGA,I4/mmm,A3B_tI16_139_cde_e:Pt-Sb,8.0,A3B_tI16_139_cde_e:Pt-Sb +mp-1186949,SbPt3,-5.7372770688,-0.1516767687,0.1040401175,0.1040401175,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pt-Sb,8.0,A3B_hP8_194_h_c:Pt-Sb +mp-973353,SbPt3,-5.7354864675,-0.1498861675,0.1058307188,0.1058307188,GGA,Fm-3m,A3B_cF16_225_ac_b:Pt-Sb,4.0,A3B_cF16_225_ac_b:Pt-Sb +mp-1002104,LaPt,-6.68601049,-1.1824402775,0.0,-0.1112063124,GGA,Cmcm,AB_oC8_63_c_c:La-Pt,4.0,AB_oC8_63_c_c:La-Pt +mp-11487,LaPt3,-6.6390498725,-0.8516981063,0.0623524483,0.0623524483,GGA,Pm-3m,AB3_cP4_221_a_c:La-Pt,4.0,AB3_cP4_221_a_c:La-Pt +mp-1101942,LaSb2,-5.4020994883,-1.0040962933,0.0,-0.0952823383,GGA,Cmce,AB2_oC24_64_f_ef:La-Sb,12.0,AB2_oC24_64_f_ef:La-Sb +mp-1211592,La4Pt,-5.291522149,-0.128489801,0.39119498,0.39119498,GGA,Fd-3m,A4B_cF40_227_e_a:La-Pt,10.0,A4B_cF40_227_e_a:La-Pt +mp-759,La2Sb,-5.639424605,-0.972419455,0.0,-0.0185913117,GGA,I4/mmm,A2B_tI12_139_ce_e:La-Sb,6.0,A2B_tI12_139_ce_e:La-Sb +mp-10177,LaSb,-5.679312885,-1.1468087125,0.21641222,0.0059961625,GGA,P4/mmm,AB_tP2_123_a_d:La-Sb,2.0,AB_tP2_123_a_d:La-Sb +mp-1065,LaSb,-5.895725105,-1.3632209325,0.0,-0.2104160575,GGA,Fm-3m,AB_cF8_225_a_b:La-Sb,2.0,AB_cF8_225_a_b:La-Sb +mp-110,Mg,-1.57447816,0.02580189,0.02580189,0.02580189,GGA,Im-3m,A_cI2_229_a:Mg,1.0,A_cI2_229_a:Mg +mp-1247180,Mg,-1.422901379,0.177378671,0.177378671,0.177378671,GGA,Pmmn,A_oP10_59_a2e:Mg,10.0,A_oP10_59_a3e:Mg +mp-1056351,Mg,-1.57155674,0.02872331,0.02872331,0.02872331,GGA,I4/mmm,A_tI2_139_a:Mg,1.0,A_tI2_139_a:Mg +mp-1094122,Mg,-1.5968959167,0.0033841333,0.0033841333,0.0033841333,GGA,R-3m,A_hR9_166_ac:Mg,3.0,A_hR9_166_ac:Mg +mp-1055956,Mg,-1.36376991,0.23651014,0.23651014,0.23651014,GGA,P6/mmm,A_hP1_191_a:Mg,1.0,A_hP1_191_a:Mg +mp-153,Mg,-1.591001335,0.009278715,0.009278715,0.009278715,GGA,P6_3/mmc,A_hP2_194_c:Mg,2.0,A_hP2_194_c:Mg +mp-973364,Mg,-1.58695233,0.01332772,0.01332772,0.01332772,GGA,P6_3/mmc,A_hP4_194_ac:Mg,4.0,A_hP4_194_2a2c:Mg +mp-1056702,Mg,-1.60028005,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Mg,1.0,A_cF4_225_a:Mg +mp-863704,Pm2MgTl,-3.6249501775,-0.2589482171,0.0,-0.06561905,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pm-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Pm-Tl +mp-1186748,PmMg149,-1.6458378312000002,-0.0245560327,0.0,-0.0213888268,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Pm,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Pm, expected PmMg315 to be PmMg149" +mp-1186620,PmMg2,-2.74459336,-0.0942258858,0.020010895,0.020010895,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Pm,6.0,A2B_cF24_227_c_b:Mg-Pm +mp-570849,Mg5Tl2,-1.8477250643,-0.0296269867,0.0088704496,0.0088704496,GGA,Ibam,A5B2_oI28_72_afj_j:Mg-Tl,14.0,"Invalid WP multiplicities - A5B2_oI28_72_2a2f3j_j:Mg-Tl, expected Mg6Tl to be Mg5Tl2" +mp-1186484,Pm2Mg,-3.741548785,-0.0410938867,0.0290193792,0.0290193792,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Pm,6.0,AB2_mC12_12_i_2i:Mg-Pm +mp-1186483,Pm2Mg,-3.7574457733,-0.056990875,0.0131223908,0.0131223908,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Pm,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Pm, expected Pm4Mg to be Pm2Mg" +mp-977264,Pm2Mg,-3.7525769067,-0.0521220083,0.0179912575,0.0179912575,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Pm,3.0,AB2_tI6_139_a_e:Mg-Pm +mp-867199,Pm3Tl,-4.35764294,-0.2040754115,0.0,-0.1011481408,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Tl,4.0,A3B_cP4_221_c_a:Pm-Tl +mp-1185990,MgTl3,-2.15190083,0.0201515425,0.0384006133,0.0384006133,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Tl,4.0,AB3_tI8_139_a_bd:Mg-Tl +mp-978262,MgTl3,-2.1433581075,0.028694265,0.0469433358,0.0469433358,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Tl,8.0,AB3_hP8_194_c_h:Mg-Tl +mp-1185982,MgTl3,-2.1099699125,0.06208246,0.0803315308,0.0803315308,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Tl,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Tl, expected MgTl5 to be MgTl3" +mp-862970,PmTl3,-3.2683997525,-0.3087818119,0.0,-0.2407566747,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Tl,4.0,AB3_cP4_221_a_c:Pm-Tl +mp-11498,MgTl,-2.01795974,-0.0364981417,0.0,-0.0106110403,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Tl,2.0,AB_cP2_221_a_b:Mg-Tl +mp-1186517,Pm3Mg,-3.959353625,0.0036231294,0.0562080788,0.0562080788,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Pm,4.0,AB3_tI8_139_a_bd:Mg-Pm +mp-1186609,PmMgTl2,-3.01542279,-0.2463956235,0.0,-0.0009510083,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Pm-Tl +mp-1186612,PmMg3,-2.4815922825,-0.0937466644,0.0250235575,-0.0172937003,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Pm,8.0,A3B_hP8_194_h_c:Mg-Pm +mp-1186603,PmMg3,-2.5066158400000003,-0.1187702219,0.0,-0.0423172578,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Pm,4.0,A3B_cF16_225_ac_b:Mg-Pm +mp-977250,Pm5Mg,-4.1888848450000005,0.0366137654,0.0716703983,0.0716703983,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Pm,6.0,AB5_oC12_38_a_2a3b:Mg-Pm +mp-1185792,Mg3Tl,-1.815706585,-0.0248357608,0.0139948912,0.0076663408,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Tl,4.0,A3B_tI8_139_ad_b:Mg-Tl +mp-864938,Mg3Tl,-1.8297014762,-0.0388306521,0.0,-0.0063285504,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Tl,8.0,A3B_hP8_194_h_c:Mg-Tl +mp-1185786,Mg3Tl,-1.8273772825,-0.0365064583,0.0023241937,-0.0040043567,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Tl,4.0,A3B_cP4_221_c_a:Mg-Tl +mp-1185635,Mg149Tl,-1.6339750934,-0.0286126228,0.0,-0.0275771387,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Tl,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Tl, expected Mg309Tl to be Mg149Tl" +mp-569593,PmMg,-3.280581085,-0.1051698987,0.0,-0.023467285,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Pm,2.0,AB_cP2_221_a_b:Mg-Pm +mp-567244,Mg2Tl,-1.8779739622,-0.02357288,0.0144802686,0.0144802686,GGA,P-62m,A2B_hP9_189_fg_ad:Mg-Tl,9.0,"Invalid WP multiplicities - A2B_hP9_189_2f3g_a2d:Mg-Tl, expected Mg3Tl to be Mg2Tl" +mp-1079811,SmAu,-4.8297135362,-0.8334794688,0.0016002863,-0.2102745447,GGA,Pnma,AB_oP8_62_c_c:Au-Sm,8.0,AB_oP8_62_c_c:Au-Sm +mp-999193,SmAu,-4.8313138225,-0.8350797550000001,0.0,-0.211874831,GGA,Cmcm,AB_oC8_63_c_c:Au-Sm,4.0,AB_oC8_63_c_c:Au-Sm +mp-11257,SmAu,-4.78517466,-0.7889405925,0.0461391625,-0.1657356685,GGA,Pm-3m,AB_cP2_221_a_b:Au-Sm,2.0,AB_cP2_221_a_b:Au-Sm +mp-1219385,Sm14Au51,-4.2177393688,-0.6326903243,0.0,-0.0290418019,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Sm,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Sm, expected Sm14Au71 to be Sm14Au51" +mp-621351,SmInAu,-4.3203981056,-0.7390141506,0.0,-0.0456411556,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Sm,9.0,ABC_hP9_189_ad_g_f:Au-In-Sm +mp-973498,In3Au,-2.8910033075,-0.00877001,0.1627618375,0.1627618375,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-In,4.0,AB3_tI8_139_a_bd:Au-In +mp-1184506,In3Au,-2.8921272388,-0.0098939413,0.1616379062,0.1616379062,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-In,8.0,AB3_hP8_194_c_h:Au-In +mp-1188557,Sm3In5,-3.98781765,-0.4985455181,0.0,-0.0311808925,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Sm,16.0,A5B3_oC32_63_cfg_ce:In-Sm +mp-1017579,In2Au3,-3.230080096,-0.165077404,0.0,-0.005129054,GGA,P-3m1,A3B2_hP5_164_ad_d:Au-In,5.0,A3B2_hP5_164_ad_d:Au-In +mp-1206431,In2Au3,-3.141832236,-0.076829544,0.08824786,0.083118806,GGA,P-3m1,A3B2_hP5_164_ad_d:Au-In,5.0,A3B2_hP5_164_ad_d:Au-In +mp-19977,SmIn3,-3.69385338,-0.4504440488,0.0,-0.11808037,GGA,Pm-3m,A3B_cP4_221_c_a:In-Sm,4.0,A3B_cP4_221_c_a:In-Sm +mp-1005762,Sm3Au,-4.5942617088,-0.2368516075,0.1969561381,0.1969561381,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Sm,8.0,AB3_hP8_194_c_h:Au-Sm +mp-567550,In3Au7,-3.2507200473,-0.1334975283,0.0023752138,0.0023752138,GGA,P-3,A7B3_hP60_147_ab2d6g_3g:Au-In,60.0,"Invalid WP multiplicities - A7B3_hP60_147_ab4d29g_13g:Au-In, expected In39Au92 to be In3Au7" +mp-1205925,Sm2InAu2,-4.536701329,-0.789377329,0.0,-0.0119369367,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Sm,10.0,A2BC2_tP10_127_g_a_h:Au-In-Sm +mp-680545,In4Au9,-3.2319484938,-0.1187428846,0.01937637,0.01937637,GGA,P-43m,A9B4_cP52_215_3efgi_ei:Au-In,52.0,"Invalid WP multiplicities - A9B4_cP52_215_11e5f5g6i_4e4i:Au-In, expected In4Au11 to be In4Au9" +mp-510099,In3Au10,-3.2649191873,-0.1115444804,0.0003974377,0.0003974377,GGA,P6_3/m,A10B3_hP26_176_c3h_h:Au-In,26.0,A10B3_hP26_176_c3h_h:Au-In +mp-1091,SmAu6,-3.9021584921,-0.4218901871,0.0,-0.0022486455,GGA,P4_2/ncm,A6B_tP56_138_cei2j_i:Au-Sm,56.0,A6B_tP56_138_cei2j_i:Au-Sm +mp-19816,Sm2In,-4.4055077883,-0.3425557883,0.0,-0.0019576067,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Sm,6.0,"Invalid WP multiplicities - AB2_hP6_194_c_2ad:In-Sm, expected Sm3In to be Sm2In" +mp-20298,SmIn,-4.219420135,-0.4842852025,0.0,-0.0525924257,GGA,Pm-3m,AB_cP2_221_a_b:In-Sm,2.0,AB_cP2_221_a_b:In-Sm +mp-22154,In2Au,-3.15445895,-0.22870913,0.0,-0.1369994611,GGA,Fm-3m,AB2_cF12_225_a_c:Au-In,3.0,AB2_cF12_225_a_c:Au-In +mp-569683,InAu3,-3.2646028438,-0.1212704113,0.0,-0.003627862,GGA,Pmmn,A3B_oP8_59_ae_b:Au-In,8.0,A3B_oP8_59_ae_b:Au-In +mp-1223816,InAu3,-3.129081825,0.0142506075,0.1355210187,0.1318931568,GGA,P-6m2,A3B_hP4_187_ah_b:Au-In,4.0,A3B_hP4_187_ah_b:Au-In +mp-568596,SmInAu2,-4.2007995725,-0.6962911063,0.0,-0.0532696415,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Sm,4.0,A2BC_cF16_225_c_a_b:Au-In-Sm +mp-1103633,Sm2Au,-4.8154284175,-0.5784103275,0.0,-0.0216904908,GGA,Pnma,AB2_oP12_62_c_2c:Au-Sm,12.0,AB2_oP12_62_c_2c:Au-Sm +mp-1005752,Sm3In,-4.4854420737,-0.25858154,0.0101731313,-0.0016646988,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Sm,8.0,AB3_hP8_194_c_h:In-Sm +mp-21202,Sm3In,-4.495615205,-0.2687546712,0.0,-0.01183783,GGA,Pm-3m,AB3_cP4_221_a_c:In-Sm,4.0,AB3_cP4_221_a_c:In-Sm +mp-30417,SmAu3,-4.3254548525,-0.6903968188,0.0,-0.0330915637,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Sm,8.0,A3B_oP8_59_ae_b:Au-Sm +mp-1185812,Mg5Ge,-2.111911635,-0.0078402842,0.1266151233,0.1266151233,GGA,Cm,AB5_mC12_8_a_5a:Ge-Mg,6.0,AB5_mC12_8_a_5a:Ge-Mg +mp-1185804,Mg5Ge,-2.1057532583,-0.0016819075,0.1327735,0.1327735,GGA,Amm2,AB5_oC12_38_a_2a3b:Ge-Mg,6.0,AB5_oC12_38_a_2a3b:Ge-Mg +mp-1185811,Mg5Ge,-2.12125693,-0.0171855792,0.1172698283,0.1172698283,GGA,R32,AB5_hR18_155_a_ce:Ge-Mg,6.0,AB5_hR18_155_a_ce:Ge-Mg +mp-1232373,Mg5Ge,-1.97447601,0.1295953408,0.2640507483,0.2640507483,GGA,F-43m,AB5_cF24_216_a_ce:Ge-Mg,6.0,AB5_cF24_216_a_ce:Ge-Mg +mp-1182832,Eu3Ge5,-3.7648426069,2.9709254775,3.5862055669,3.5455543306,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Eu-Ge,16.0,"Invalid WP multiplicities - A3B5_oC32_63_2c2e_2c3f3g:Eu-Ge, expected Eu3Ge7 to be Eu3Ge5" +mp-1189484,Eu3Ge5,-7.3510481737,-0.6152800894,0.0,-0.0406512362,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Eu-Ge,16.0,A3B5_oC32_63_ce_cfg:Eu-Ge +mp-1184335,Eu3Mg,-8.08406326,0.0087581025,0.0518079156,0.0518079156,GGA,Pmm2,A3B_oP4_25_abc_d:Eu-Mg,4.0,A3B_oP4_25_abc_d:Eu-Mg +mp-1184342,Eu3Mg,-8.122348405,-0.0295270425,0.0135227706,0.0135227706,GGA,Imm2,A3B_oI8_44_ac_b:Eu-Mg,4.0,"Invalid WP multiplicities - A3B_oI8_44_a2c_b:Eu-Mg, expected Eu5Mg to be Eu3Mg" +mp-1184394,Eu3Mg,-8.1132018162,-0.0203804537,0.0226693594,0.0226693594,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Mg,8.0,A3B_hP8_194_h_c:Eu-Mg +mp-1184275,Eu3Mg,-8.102781745,-0.0099603825,0.0330894306,0.0330894306,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Mg,4.0,A3B_cP4_221_c_a:Eu-Mg +mp-1184312,Eu3Mg,-8.092114015,0.0007073475,0.0437571606,0.0437571606,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Mg,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Eu-Mg, expected Eu5Mg to be Eu3Mg" +mp-1184282,EuMg5,-3.08016968,-0.0371026717,0.0316945272,0.0316945272,GGA,P-62m,AB5_hP6_189_a_cg:Eu-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2c3g:Eu-Mg, expected EuMg13 to be EuMg5" +mp-1198512,EuMg5,-3.0465931008,-0.0035260925,0.0652711063,0.0652711063,GGA,P6_3/mmc,AB5_hP36_194_h_afghk:Eu-Mg,36.0,AB5_hP36_194_h_afghk:Eu-Mg +mp-1095642,Eu2Ge,-8.9744361967,-0.5954257117,0.0,-0.0286963761,GGA,Pnma,A2B_oP12_62_2c_c:Eu-Ge,12.0,A2B_oP12_62_2c_c:Eu-Ge +mp-1018794,Mg2Ge,-2.7239599683,-0.1160973167,0.1528134983,-0.0559253475,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ge-Mg,6.0,AB2_hP6_194_c_ad:Ge-Mg +mp-408,Mg2Ge,-2.8767734667,-0.268910815,0.0,-0.2087388458,GGA,Fm-3m,AB2_cF12_225_a_c:Ge-Mg,3.0,AB2_cF12_225_a_c:Ge-Mg +mp-250,Mg2Ge,-2.3936013067,0.214261345,0.48317216,0.2744333142,GGA,Fd-3m,AB2_cF24_227_a_d:Ge-Mg,6.0,AB2_cF24_227_a_d:Ge-Mg +mp-1184300,EuMg3,-3.8368131075,-0.07235262,0.0194457303,0.0194457303,GGA,Fm-3m,AB3_cF16_225_a_bc:Eu-Mg,4.0,AB3_cF16_225_a_bc:Eu-Mg +mp-1201532,Eu3(MgGe)5,-5.2730166208,-0.5124362419,0.0,-0.0274310556,GGA,Pnma,A3B5C5_oP52_62_3c_5c_5c:Eu-Ge-Mg,52.0,A3B5C5_oP52_62_3c_5c_5c:Eu-Ge-Mg +mp-1185865,MgGe,-3.17254074,-0.0608867875,0.1407963238,0.1407963238,GGA,C2/m,AB_mC8_12_i_i:Ge-Mg,4.0,AB_mC8_12_i_i:Ge-Mg +mp-1185875,MgGe5,-3.9122128767,0.2070236775,0.2742513813,0.2742513813,GGA,Cm,A5B_mC12_8_5a_a:Ge-Mg,6.0,A5B_mC12_8_5a_a:Ge-Mg +mp-1185874,MgGe5,-3.893826685,0.2254098692,0.2926375729,0.2926375729,GGA,Amm2,A5B_oC12_38_2a3b_a:Ge-Mg,6.0,A5B_oC12_38_2a3b_a:Ge-Mg +mp-1185863,MgGe5,-3.92296675,0.1962698042,0.2634975079,0.2634975079,GGA,P-62m,A5B_hP6_189_cg_a:Ge-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:Ge-Mg, expected MgGe7 to be MgGe5" +mp-867152,EuMgGe,-6.0761847033,-0.582748135,0.0,-0.0898618516,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Ge-Mg,12.0,ABC_oP12_62_c_c_c:Eu-Ge-Mg +mp-1184420,Eu5Mg,-8.8082094817,0.00600536,0.0347052354,0.0347052354,GGA,Amm2,A5B_oC12_38_2a3b_a:Eu-Mg,6.0,A5B_oC12_38_2a3b_a:Eu-Mg +mp-1184358,Eu5Mg,-8.8028175883,0.0113972533,0.0400971288,0.0400971288,GGA,P-62m,A5B_hP6_189_cg_a:Eu-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:Eu-Mg, expected Eu7Mg to be Eu5Mg" +mp-1185867,MgGe2,-3.5660786633,0.04936659,0.1838219975,0.1838219975,GGA,C2/m,A2B_mC12_12_2i_i:Ge-Mg,6.0,A2B_mC12_12_2i_i:Ge-Mg +mp-1184410,EuMg,-6.0006143025,-0.0719733775,0.0141262488,0.0141262488,GGA,Pmma,AB_oP4_51_e_f:Eu-Mg,4.0,AB_oP4_51_e_f:Eu-Mg +mp-21253,EuMg,-6.007609495,-0.07896857,0.0071310563,0.0071310563,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Mg,2.0,AB_cP2_221_a_b:Eu-Mg +mp-1185299,EuMg149,-1.6826265165,-0.0246349881,0.0,-0.0223389981,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Eu-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Eu-Mg, expected EuMg315 to be EuMg149" +mp-20712,EuGe,-8.15583243,-0.7158176025,0.0,-0.0893923066,GGA,Cmcm,AB_oC8_63_c_c:Eu-Ge,4.0,AB_oC8_63_c_c:Eu-Ge +mp-642855,Mg3Ge,-2.4157815613,-0.05981456,0.1418685512,0.1418685512,GGA,P6_3/m,AB3_hP8_176_c_h:Ge-Mg,8.0,AB3_hP8_176_c_h:Ge-Mg +mp-1232376,Mg19Ge5,-2.0771384658,0.1528807102,0.3209499696,0.3209499696,GGA,P-43m,A5B19_cP24_215_ae_cei:Ge-Mg,24.0,"Invalid WP multiplicities - A5B19_cP24_215_a2e_c4e4i:Ge-Mg, expected Mg67Ge9 to be Mg19Ge5" +mp-613838,Eu(MgGe)3,-4.433204555,-0.3007866243,0.1038351177,0.1038351177,GGA,Cmcm,AB3C3_oC28_63_c_3c_3c:Eu-Ge-Mg,14.0,"Invalid WP multiplicities - AB3C3_oC28_63_c_6c_6c:Eu-Ge-Mg, expected Eu(MgGe)6 to be Eu(MgGe)3" +mp-1188934,Eu5Ge3,-8.7818320731,-0.6375705025,0.0,-0.0120468181,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Eu-Ge,16.0,A5B3_tI32_140_cl_ah:Eu-Ge +mp-1101792,EuMg2,-4.5999604867,-0.11410652,0.0006929817,-0.0395485833,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Eu-Mg,12.0,AB2_hP12_194_f_ah:Eu-Mg +mp-1184321,EuMg2,-4.6006534683,-0.1147995017,0.0,-0.040241565,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-Mg,6.0,AB2_cF24_227_a_d:Eu-Mg +mp-1078610,EuGe3,-6.4005815938,-0.3690602525,0.0411264737,0.0411264737,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Ge,8.0,AB3_hP8_194_c_h:Eu-Ge +mp-1183959,Eu2Mg,-7.403865655,-0.0324377717,0.0249619792,0.0249619792,GGA,C2/m,A2B_mC12_12_2i_i:Eu-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Eu-Mg, expected Eu3Mg to be Eu2Mg" +mp-1183936,Eu2Mg,-7.4092577233,-0.03782984,0.0195699108,0.0195699108,GGA,Cmcm,A2B_oC12_63_2c_c:Eu-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Eu-Mg, expected Eu4Mg to be Eu2Mg" +mp-1185869,MgGe3,-3.7858029775,0.0815379263,0.1823794819,0.1823794819,GGA,Imm2,A3B_oI8_44_ac_b:Ge-Mg,4.0,A3B_oI8_44_ac_b:Ge-Mg +mp-1185864,MgGe3,-3.7544999075,0.1128409963,0.2136825519,0.2136825519,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Mg,4.0,A3B_tI8_139_ad_b:Ge-Mg +mp-1185868,MgGe3,-3.7459600963,0.1213808075,0.2222223631,0.2222223631,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Mg,8.0,A3B_hP8_194_h_c:Ge-Mg +mp-22116,EuGe2,-7.0285851067,-0.5275659367000001,0.0193496983,0.0193496983,GGA,P-3m1,AB2_hP3_164_a_d:Eu-Ge,3.0,AB2_hP3_164_a_d:Eu-Ge +mp-1181450,EuGe2,-6.1560272633,0.3449919067,0.8919075417000001,0.8919075417000001,GGA,P-3m1,AB2_hP3_164_a_d:Eu-Ge,3.0,AB2_hP3_164_a_d:Eu-Ge +mp-1212684,Mg5Mn4,-4.5742490167,0.386802252,0.3934216958,0.3934216958,GGA,Pbam,A5B4_oP36_55_2g3h_ad2gh:Mg-Mn,36.0,A5B4_oP36_55_2g3h_ad2gh:Mg-Mn +mp-570153,Mg44Rh7,-2.6142987001,-0.2228775768,0.0,-0.0188725559,GGA,F-43m,A44B7_cF408_216_4efg5h_2ef:Mg-Rh,102.0,"Invalid WP multiplicities - A44B7_cF408_216_16e6f5g54h_8e4f:Mg-Rh, expected Mg389Rh28 to be Mg44Rh7" +mp-1172,MgRh,-4.94716338,-0.46486942,0.0,-0.106018601,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Rh,2.0,AB_cP2_221_a_b:Mg-Rh +mp-977273,MgRh5,-6.5262511883,-0.1226146217,0.0535058333,0.0535058333,GGA,Cm,AB5_mC12_8_a_5a:Mg-Rh,6.0,AB5_mC12_8_a_5a:Mg-Rh +mp-1016282,Mg7Mn,-2.43085234,0.1146446153,0.1250702391,0.1250702391,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Mn,8.0,A7B_hP8_187_ajk_d:Mg-Mn +mp-542429,Mg3Rh,-3.3942607967,-0.3529737917,0.0,-0.008835274,GGA,P6_3cm,A3B_hP24_185_ab2c_c:Mg-Rh,24.0,A3B_hP24_185_ab2c_c:Mg-Rh +mp-2577,Mn3Rh,-8.649278575,0.0633098616,0.152467371,0.152467371,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Rh,4.0,A3B_cP4_221_c_a:Mn-Rh +mp-977463,MgMnRh2,-6.696296245,-0.3235684745,0.0,-0.001976255,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Mg-Mn-Rh +mp-12693,Mg2Rh,-3.9435869,-0.4219642433,0.0,-0.0211207522,GGA,I4/mmm,A2B_tI6_139_e_a:Mg-Rh,3.0,A2B_tI6_139_e_a:Mg-Rh +mp-1185893,MgMn,-5.0738442425,0.3073034285,0.3132609279,0.3132609279,GGA,Pmma,AB_oP4_51_e_f:Mg-Mn,4.0,AB_oP4_51_e_f:Mg-Mn +mp-1185582,Mg149Rh,-1.670167225,-0.0314603229,0.0,-0.0206348406,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Rh,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Rh, expected Mg315Rh to be Mg149Rh" +mp-1212508,Mg5Mn3,-4.1671335531,0.2687972127,0.2762440868,0.2762440868,GGA,P1,A5B3_aP16_1_10a_6a:Mg-Mn,16.0,A5B3_mP16_6_5a5b_3a3b:Mg-Mn +mp-1237317,Mg5Mn3,-4.1728130525000005,0.2631177133,0.2705645875,0.2705645875,GGA,P-1,A5B3_aP16_2_5i_3i:Mg-Mn,16.0,"Invalid WP multiplicities - A5B3_aP16_2_9i_6i:Mg-Mn, expected Mg3Mn2 to be Mg5Mn3" +mp-865611,MgRh3,-6.1874815975,-0.2641806825,0.0,-0.0317459725,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Rh,4.0,AB3_oI8_44_a_bc:Mg-Rh +mp-30778,Mg5Rh2,-3.62969551,-0.3825503686,0.0,-9.2405e-06,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Mg-Rh,28.0,A5B2_hP28_194_ahk_ch:Mg-Rh +mp-1023507,Mg15Mn,-2.0184537269,0.0544347758,0.065605087,0.065605087,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Mn,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Mn, expected Mg27Mn to be Mg15Mn" +mp-1185627,Mg149Mn,-1.6625271837,-0.0118355654,0.0,-0.0118355654,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Mn,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Mn, expected Mg315Mn to be Mg149Mn" +mp-417,MnRh,-8.4414766,-0.178315019,0.0,-0.178315019,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Rh,2.0,AB_cP2_221_a_b:Mn-Rh +mp-1079919,Mg3Mn,-3.09703946,0.3936744005,0.4026106496,0.4026106496,GGA,P2_1/m,A3B_mP8_11_3e_e:Mg-Mn,8.0,A3B_mP8_11_3e_e:Mg-Mn +mp-1016241,Mg3Mn,-3.2966321275,0.194081733,0.2030179821,0.2030179821,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Mn,4.0,A3B_oP4_25_abc_d:Mg-Mn +mp-978286,Mg3Mn,-3.310479345,0.1802345155,0.1891707646,0.1891707646,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Mn,4.0,A3B_cP4_221_c_a:Mg-Mn +mp-978285,Mg3Mn,-3.3175656575,0.173148203,0.1820844521,0.1820844521,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Mn,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Mn, expected Mg5Mn to be Mg3Mn" +mp-1211157,LiCa4,-1.671277307,0.3149871703,0.318486152,0.318486152,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Li,10.0,A4B_cF40_227_e_a:Ca-Li +mp-30478,Ca2Pb,-3.1255546033,-0.5509389933000001,0.0,-0.0796145454,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Pb,12.0,A2B_oP12_62_2c_c:Ca-Pb +mp-1009756,Ca2Pb,-3.0895448333,-0.5149292233,0.03600977,-0.0436047754,GGA,Fm-3m,A2B_cF12_225_c_a:Ca-Pb,3.0,A2B_cF12_225_c_a:Ca-Pb +mp-570466,Li2Ca,-1.9488880292,-0.0077394914,0.0039237808,-0.0077394914,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ca-Li,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Ca-Li, expected Li4Ca to be Li2Ca" +mp-11644,Li2Ca,-1.95281181,-0.0116632722,0.0,-0.0116632722,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Li,6.0,AB2_cF24_227_a_d:Ca-Li +mp-20998,LiCaPb,-3.0169775833,-0.4745876444,0.0,-0.0220283617,GGA,P-6m2,ABC_hP9_187_bg_ci_eh:Ca-Li-Pb,9.0,"Invalid WP multiplicities - ABC_hP9_187_bg_c2i_eh:Ca-Li-Pb, expected Li5(CaPb)3 to be LiCaPb" +mp-1103107,Li,-1.8535433942,0.0553794725,0.0553794725,0.0553794725,GGA,Cmce,A_oC24_64_fg:Li,12.0,A_oC24_64_fg:Li +mp-1018134,Li,-1.9089228667,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Li,3.0,A_hR9_166_ac:Li +mp-1063005,Li,-1.8903453333,0.0185775333,0.0185775333,0.0185775333,GGA,P6/mmm,A_hP3_191_ad:Li,3.0,A_hP3_191_ad:Li +mp-10173,Li,-1.906417405,0.0025054617,0.0025054617,0.0025054617,GGA,P6_3/mmc,A_hP2_194_c:Li,2.0,A_hP2_194_c:Li +mp-976411,Li,-1.9061253275,0.0027975392,0.0027975392,0.0027975392,GGA,P6_3/mmc,A_hP4_194_ac:Li,4.0,A_hP4_194_2a2c:Li +mp-604313,Li,-1.6471241225000002,0.2617987442,0.2617987442,0.2617987442,GGA,P4_132,A_cP4_213_a:Li,4.0,A_cP4_213_a:Li +mp-567337,Li,-1.8980511275,0.0108717392,0.0108717392,0.0108717392,GGA,I-43d,A_cI16_220_c:Li,8.0,A_cI16_220_c:Li +mp-51,Li,-1.90603016,0.0028927067,0.0028927067,0.0028927067,GGA,Fm-3m,A_cF4_225_a:Li,1.0,A_cF4_225_a:Li +mp-135,Li,-1.90379596,0.0051269067,0.0051269067,0.0051269067,GGA,Im-3m,A_cI2_229_a:Li,1.0,A_cI2_229_a:Li +mp-1097609,LiCa2Pb,-1.220975995,1.1872164292,1.6039059287,1.6039059287,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Li-Pb,4.0,A2BC_oI8_71_e_a_b:Ca-Li-Pb +mp-1185325,LiCa2Pb,-2.804020145,-0.3958277208,0.0208617788,0.0208617788,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Li-Pb,4.0,A2BC_cF16_225_c_a_b:Ca-Li-Pb +mp-1096537,LiCaPb2,-1.695535255,1.1394189667,1.5357994625,1.5357994625,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Li-Pb,4.0,ABC2_oI8_71_a_b_e:Ca-Li-Pb +mp-30760,Li3Pb,-2.68145159,-0.3215976725,0.001960421,0.001960421,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pb,4.0,A3B_cF16_225_ac_b:Li-Pb +mp-20034,CaPb,-3.380005705,-0.52088223,0.0,-0.074185591,GGA,P4/mmm,AB_tP2_123_a_d:Ca-Pb,2.0,AB_tP2_123_a_d:Ca-Pb +mp-573651,Li22Pb5,-2.5138947507,-0.2709488835,0.0084611133,0.0084611133,GGA,F-43m,A22B5_cF432_216_abcd6efg4h_2efg:Li-Pb,108.0,"Invalid WP multiplicities - A22B5_cF432_216_abcd22e6f6g42h_8e6f6g:Li-Pb, expected Li167Pb26 to be Li22Pb5" +mp-865892,Li2CaPb,-2.80242098,-0.4183978092,0.0,-0.0263873562,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Ca-Li-Pb +mp-574272,Ca5Pb3,-3.1503268465,-0.5045842702000001,0.0388405323,0.0388405323,GGA,P6_3mc,A5B3_hP48_186_3cd_3c:Ca-Pb,48.0,"Invalid WP multiplicities - A5B3_hP48_186_17c8d_11c:Ca-Pb, expected Ca3Pb to be Ca5Pb3" +mp-1182146,Ca5Pb3,-3.1672629581,-0.5215203819,0.0219044206,0.0219044206,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ca-Pb,16.0,A5B3_hP16_193_dg_g:Ca-Pb +mp-504760,Li10Pb3,-2.5463984583,-0.2212315447,0.0986589405,0.0986589405,GGA,P-43m,A10B3_cP52_215_4efgi_i:Li-Pb,52.0,A10B3_cP52_215_4efgi_i:Li-Pb +mp-1064227,Ca,-1.998460445,0.007139435,0.007139435,0.007139435,GGA,Cmcm,A_oC4_63_c:Ca,2.0,A_hP2_194_c:Ca +mp-1067285,Ca,-1.72876946,0.27683042,0.27683042,0.27683042,GGA,Cmce,A_oC8_64_f:Ca,4.0,A_oC8_64_f:Ca +mp-1078638,Ca,-1.9864478788,0.0191520013,0.0191520013,0.0191520013,GGA,P4_12_12,A_tP8_92_b:Ca,8.0,A_tP8_92_b:Ca +mp-1227541,Ca,-1.03268839,0.97291149,0.97291149,0.97291149,GGA,P4/mmm,A_tP1_123_a:Ca,1.0,A_mP1_10_a:Ca +mp-166,Ca,-1.98438209,0.02121779,0.02121779,0.02121779,GGA,I4/mmm,A_tI2_139_a:Ca,1.0,A_tI2_139_a:Ca +mp-1183455,Ca,-1.9925282,0.01307168,0.01307168,0.01307168,GGA,I4/mmm,A_tI2_139_a:Ca,1.0,A_tI2_139_a:Ca +mp-1008498,Ca,-1.8406898625,0.1649100175,0.1649100175,0.1649100175,GGA,I4/mcm,A_tI8_140_h:Ca,4.0,A_tI8_140_h:Ca +mp-132,Ca,-1.999689985,0.005909895,0.005909895,0.005909895,GGA,P6_3/mmc,A_hP2_194_c:Ca,2.0,A_hP2_194_c:Ca +mp-1183484,Ca,-1.9992001725,0.0063997075,0.0063997075,0.0063997075,GGA,P6_3/mmc,A_hP4_194_ac:Ca,4.0,A_hP4_194_2a2c:Ca +mp-10683,Ca,-1.60598638,0.3996134999999999,0.3996134999999999,0.3996134999999999,GGA,Pm-3m,A_cP1_221_a:Ca,1.0,A_cP1_221_a:Ca +mp-45,Ca,-2.00559988,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Ca,1.0,A_cF4_225_a:Ca +mp-21,Ca,-1.98205783,0.02354205,0.02354205,0.02354205,GGA,Im-3m,A_cI2_229_a:Ca,1.0,A_cI2_229_a:Ca +mp-20549,CaPb3,-3.5762183800000003,-0.2903331075,0.0,-0.0298919925,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Pb,4.0,AB3_cP4_221_a_c:Ca-Pb +mp-30479,Ca3Pb,-2.8032942575,-0.37093258,0.042271665,0.042271665,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Pb,4.0,A3B_cP4_221_c_a:Ca-Pb +mp-30761,Li7Pb2,-2.6280109044,-0.318260437,0.0,-0.0126248799,GGA,P-3m1,A7B2_hP9_164_ac2d_d:Li-Pb,9.0,A7B2_hP9_164_ac2d_d:Li-Pb +mp-27587,Li8Pb3,-2.7287401891,-0.3278925397,0.0,-0.0108147682,GGA,R-3m,A8B3_hR33_166_4c_ac:Li-Pb,11.0,"Invalid WP multiplicities - A8B3_hR33_166_5c_ac:Li-Pb, expected Li10Pb3 to be Li8Pb3" +mp-2314,LiPb,-3.08266373,-0.2718787617,0.0,-0.0450975036,GGA,Pm-3m,AB_cP2_221_a_b:Li-Pb,2.0,AB_cP2_221_a_b:Li-Pb +mp-976075,Li3Ca,-1.8874487825,0.0456433375,0.0543907917,0.0543907917,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Li,4.0,AB3_tI8_139_a_bd:Ca-Li +mp-975929,Li3Ca,-1.88439413,0.04869799,0.0574454442,0.0574454442,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Li,4.0,AB3_cF16_225_a_bc:Ca-Li +mp-1185275,LiPb3,-3.3772748675,-0.1155588483,0.0203805325,0.0203805325,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Pb,4.0,AB3_tI8_139_a_bd:Li-Pb +mp-1211148,LiPb3,-2.989371375,0.2723446442,0.408284025,0.408284025,GGA,Pm-3m,AB3_cP4_221_a_d:Li-Pb,4.0,AB3_cP4_221_a_d:Li-Pb +mp-976272,LiCa3,-1.908402205,0.0730284217,0.0774021488,0.0774021488,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Li,4.0,A3B_tI8_139_ad_b:Ca-Li +mp-1185350,LiCa3,-1.9175890212,0.0638416054,0.0682153325,0.0682153325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Li,8.0,A3B_hP8_194_h_c:Ca-Li +mp-574275,Li17Pb4,-2.5398825211,-0.2873931396,0.0,-0.0096854627,GGA,F-43m,A17B4_cF420_216_a6efg4h_2efg:Li-Pb,105.0,"Invalid WP multiplicities - A17B4_cF420_216_a24e6f5g47h_7e4f6g:Li-Pb, expected Li727Pb88 to be Li17Pb4" +mp-862696,CeGa3,-4.3084702738,-0.5541259681,0.0,-0.0808734869,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Ga,8.0,AB3_hP8_194_c_h:Ce-Ga +mp-1196848,Ce(Ga4Fe)2,-4.6272458234,-0.345618573,0.0028149832,0.0028149832,GGA,Pbam,AB2C8_oP44_55_g_2g_ad2g5h:Ce-Fe-Ga,44.0,AB2C8_oP44_55_g_2g_ad2g5h:Ce-Fe-Ga +mp-542328,Ce5Ga3,-5.2015723881,-0.3578556578,0.0042102119,0.0042102119,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Ce-Ga,16.0,A5B3_tI32_140_bk_ah:Ce-Ga +mp-204,CeFe2,-7.7060086383,-0.0816314467,0.0,-0.0749659967,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Fe,6.0,AB2_cF24_227_a_d:Ce-Fe +mp-1224889,GaFe4,-7.383184214,-0.0015480415,0.106706056,0.106706056,GGA,Fmmm,A4B_oF20_69_2g_a:Fe-Ga,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Fe-Ga, expected GaFe6 to be GaFe4" +mp-540538,Ga4Fe3,-5.5389486514,-0.1785989771,0.0228876231,0.0228876231,GGA,C2/m,A3B4_mC42_12_a2ij_2i2j:Fe-Ga,21.0,A3B4_mC42_12_a2ij_2i2j:Fe-Ga +mp-1245108,Fe,-8.1905657127,0.2794554973,0.2794554973,0.2794554973,GGA,P1,A_aP100_1_100a:Fe,100.0,A_aP100_1_100a:Fe +mp-1271198,Fe,-8.415029175,0.054992035,0.054992035,0.054992035,GGA,Cmcm,A_oC4_63_c:Fe,4.0,A_oC4_63_c:Fe +mp-1194030,Fe,-8.29473249,0.17528872,0.17528872,0.17528872,GGA,P4_2/mnm,A_tP28_136_f2ij:Fe,28.0,A_tP28_136_f2ij:Fe +mp-1271068,Fe,-8.452951355,0.017069855,0.017069855,0.017069855,GGA,I4/mmm,A_tI2_139_a:Fe,4.0,A_tI2_139_a:Fe +mp-1271128,Fe,-8.37088661,0.0991345999999999,0.0991345999999999,0.0991345999999999,GGA,I4/mmm,A_tI2_139_a:Fe,2.0,A_tI2_139_a:Fe +mp-1096950,Fe,-7.993321789999999,0.47669942,0.47669942,0.47669942,GGA,P6/mmm,A_hP1_191_a:Fe,1.0,A_hP1_191_a:Fe +mp-136,Fe,-8.37221529,0.09780592,0.09780592,0.09780592,GGA,P6_3/mmc,A_hP2_194_c:Fe,2.0,A_hP2_194_c:Fe +mp-568345,Fe,-7.70860905,0.76141216,0.76141216,0.76141216,GGA,Pm-3m,A_cP1_221_a:Fe,1.0,A_cP1_221_a:Fe +mp-150,Fe,-8.32165671,0.1483644999999999,0.1483644999999999,0.1483644999999999,GGA,Fm-3m,A_cF4_225_a:Fe,1.0,A_cF4_225_a:Fe +mp-13,Fe,-8.47002121,0.0,0.0,0.0,GGA,Im-3m,A_cI2_229_a:Fe,1.0,A_cI2_229_a:Fe +mp-1224926,GaFe,-5.80775702,-0.0586984038,0.1280839791,0.1280839791,GGA,P-6m2,AB_hP2_187_a_d:Fe-Ga,2.0,AB_hP2_187_a_d:Fe-Ga +mp-567332,Ce,-5.933089155,0.0,0.0,0.0,GGA,C2/m,A_mC4_12_i:Ce,2.0,A_cF4_225_a:Ce +mp-64,Ce,-5.89342692,0.039662235,0.039662235,0.039662235,GGA,Cmcm,A_oC4_63_c:Ce,2.0,A_oC4_63_c:Ce +mp-20372,Ce,-5.8902502175,0.0428389375,0.0428389375,0.0428389375,GGA,P6_3/mmc,A_hP4_194_ac:Ce,4.0,A_hP4_194_2a2c:Ce +mp-20736,Ce,-5.851675695,0.08141346,0.08141346,0.08141346,GGA,P6_3/mmc,A_hP2_194_c:Ce,2.0,A_hP2_194_c:Ce +mp-28,Ce,-5.93152909,0.001560065,0.001560065,0.001560065,GGA,Fm-3m,A_cF4_225_a:Ce,1.0,A_cF4_225_a:Ce +mp-10024,Ce,-5.70483875,0.228250405,0.228250405,0.228250405,GGA,Im-3m,A_cI2_229_a:Ce,1.0,A_cI2_229_a:Ce +mp-1224892,GaFe3,-7.1099937775,-0.0004538644,0.1348637575,0.079966209,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-Ga,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-Ga, expected GaFe5 to be GaFe3" +mp-19870,GaFe3,-7.244857535,-0.1353176219,0.0,-0.0548975485,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Ga,4.0,A3B_cP4_221_c_a:Fe-Ga +mp-1078766,GaFe3,-7.2297037225,-0.1201638094,0.0151538125,-0.039743736,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Ga,8.0,A3B_hP8_194_h_c:Fe-Ga +mp-672661,GaFe3,-7.20898948,-0.0994495669,0.035868055,-0.0190294935,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Ga,4.0,A3B_cF16_225_ac_b:Fe-Ga +mp-1226981,CeGa7Fe5,-5.6258157846,-0.2812106029,0.0106829199,0.0106829199,GGA,Imm2,AB5C7_oI26_44_a_be_2ab2c:Ce-Fe-Ga,13.0,AB5C7_oI26_44_a_be_2ab2c:Ce-Fe-Ga +mp-1018276,CeGa,-4.9535657325,-0.4729731438,0.0,-0.0153630411,GGA,Cmcm,AB_oC8_63_c_c:Ce-Ga,4.0,AB_oC8_63_c_c:Ce-Ga +mp-1229159,Ce19Ga13,-5.135681425,-0.3827457301,0.0070469581,0.0070469581,GGA,P4/m,A19B13_tP32_83_abc2l_dghjk:Ce-Ga,32.0,"Invalid WP multiplicities - A19B13_tP32_83_abc11l_dgh3j3k:Ce-Ga, expected Ce91Ga29 to be Ce19Ga13" +mp-654,Ce2Fe17,-8.1876001205,0.01537561,0.0411539616,0.0411539616,GGA,R-3m,A2B17_hR57_166_c_cdfh:Ce-Fe,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Ce-Fe, expected Ce2Fe23 to be Ce2Fe17" +mp-1195962,Ce2Fe17,-8.1874277713,0.0155479592,0.0413263108,0.0413263108,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ce-Fe,38.0,A2B17_hP38_194_bc_fgjk:Ce-Fe +mp-1182265,Ce2Ga2Fe15,-7.6719993332,-0.0418578329,0.0642924387,0.0642924387,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Ce-Fe-Ga,19.0,A2B15C2_hR57_166_c_dfh_c:Ce-Fe-Ga +mp-11317,CeFe5,-8.0555310133,-0.0083318125,0.0324839108,0.0324839108,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Fe,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ce-Fe, expected CeFe8 to be CeFe5" +mp-711,CeGa6,-3.7654032186,-0.3223081771,0.0,-0.0056647668,GGA,P4/nbm,AB6_tP14_125_c_gm:Ce-Ga,14.0,"Invalid WP multiplicities - AB6_tP14_125_c_g2m:Ce-Ga, expected CeGa10 to be CeGa6" +mp-1224880,GaFe2,-6.6629127067,-0.0068665592,0.145605983,0.145605983,GGA,Fmmm,A2B_oF12_69_g_a:Fe-Ga,3.0,A2B_oF12_69_g_a:Fe-Ga +mp-1224826,GaFe2,-6.5659773367,0.0900688108,0.242541353,0.242541353,GGA,P-3m1,A2B_hP3_164_d_a:Fe-Ga,3.0,A2B_hP3_164_d_a:Fe-Ga +mp-1213958,Ce4Fe,-6.119950887,0.320524679,0.345014113,0.345014113,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Fe,10.0,A4B_cF40_227_e_a:Ce-Fe +mp-636368,Ga3Fe,-4.6268244631,-0.2382471437,0.0,-0.1340644071,GGA,P4_2/mnm,AB3_tP16_136_f_cj:Fe-Ga,16.0,"Invalid WP multiplicities - AB3_tP16_136_f_3c3j:Fe-Ga, expected Ga9Fe to be Ga3Fe" +mp-1106087,Ce3Ga2,-5.137871819,-0.366779917,0.0174674075,0.0174674075,GGA,P4_2/mnm,A3B2_tP20_136_dfg_j:Ce-Ga,20.0,A3B2_tP20_136_dfg_j:Ce-Ga +mp-2209,CeGa2,-4.5870806733,-0.5906536067,0.0,-0.06357858,GGA,P6/mmm,AB2_hP3_191_a_d:Ce-Ga,3.0,AB2_hP3_191_a_d:Ce-Ga +mp-1183742,Ce3Ga,-5.4568384288,-0.2499975569,0.0011610387,-0.0114271183,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Ga,8.0,A3B_hP8_194_h_c:Ce-Ga +mp-19920,Ce3Ga,-5.4579994675,-0.2511585956,0.0,-0.0125881571,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Ga,4.0,A3B_cP4_221_c_a:Ce-Ga +mp-570920,Ga5Fe6,-6.1426371673,-0.1462183152,0.0312068383,0.0312068383,GGA,C2/m,A6B5_mC44_12_eg2ij_3ij:Fe-Ga,22.0,"Invalid WP multiplicities - A6B5_mC44_12_2e2h4i3j_6i3j:Fe-Ga, expected Ga6Fe7 to be Ga5Fe6" +mp-1183555,CaNdAg2,-3.423776795,-0.3140619652,0.0,-0.0177798575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Nd +mp-646824,Ca3Ag8,-2.8409057768,-0.2338832617,0.0290708977,0.0290708977,GGA,Im-3m,A8B3_cI44_229_ch_e:Ag-Ca,22.0,"Invalid WP multiplicities - A8B3_cI44_229_2c2h_e:Ag-Ca, expected Ca3Ag16 to be Ca3Ag8" +mp-1183511,CaAg3,-2.82447218,-0.1986552075,0.05133014,0.05133014,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Ca,4.0,A3B_tI8_139_ad_b:Ag-Ca +mp-1183471,CaAg3,-2.8233337975,-0.197516825,0.0524685225,0.0524685225,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Ca,4.0,A3B_cF16_225_ac_b:Ag-Ca +mp-13270,CaAg2,-2.85444162,-0.2975376578,0.0,-0.02217661,GGA,Imma,A2B_oI12_74_h_e:Ag-Ca,6.0,A2B_oI12_74_h_e:Ag-Ca +mp-1186294,NdAg3,-3.5112982337,-0.1948443731,0.0627900147,0.0627900147,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Nd,8.0,A3B_hP8_194_h_c:Ag-Nd +mp-1183491,Ca3Nd,-2.6076095025,0.0886272656,0.0886272656,0.0886272656,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Nd,4.0,A3B_cF16_225_ac_b:Ca-Nd +mp-1220721,Nd14Ag51,-3.4979396978,-0.248487079,0.0,-0.0677864813,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Nd,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Nd, expected Nd14Ag71 to be Nd14Ag51" +mp-983582,CaNd3,-3.9883732325,0.0891373119,0.0891373119,0.0891373119,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Nd,8.0,AB3_hP8_194_c_h:Ca-Nd +mp-973965,Nd3Ag,-4.2664317575,0.0178178177,0.1454995488,0.1454995488,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Nd,8.0,AB3_hP8_194_c_h:Ag-Nd +mp-1072737,NdAg2,-3.7574088333,-0.2796556869,0.0,-0.0283189357,GGA,Imma,A2B_oI12_74_h_e:Ag-Nd,6.0,A2B_oI12_74_h_e:Ag-Nd +mp-567891,NdAg2,-3.75069207,-0.2729389236,0.0067167633,-0.0216021723,GGA,P6/mmm,A2B_hP3_191_c_b:Ag-Nd,3.0,A2B_hP3_191_c_b:Ag-Nd +mp-1236,NdAg,-4.05571518,-0.2553634621,0.0,-0.0456216969,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Nd,2.0,AB_cP2_221_a_b:Ag-Nd +mp-1183452,Ca3Ag,-2.267078785,-0.0547398742,0.1345829329,0.1345829329,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Ca,4.0,AB3_cP4_221_a_c:Ag-Ca +mp-538,CaAg,-2.756278695,-0.3372007533,0.0,-0.0474079225,GGA,Cmcm,AB_oC8_63_c_c:Ag-Ca,4.0,AB_oC8_63_c_c:Ag-Ca +mp-974788,Nd,-4.7654302433,0.0027171892,0.0027171892,0.0027171892,GGA,R-3m,A_hR9_166_ac:Nd,3.0,A_hR9_166_ac:Nd +mp-123,Nd,-4.7681474325,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP4_194_ac:Nd,4.0,A_hP4_194_ac:Nd +mp-159,Nd,-4.75913303,0.0090144025,0.0090144025,0.0090144025,GGA,Fm-3m,A_cF4_225_a:Nd,1.0,A_cF4_225_a:Nd +mp-4,Nd,-4.62818377,0.1399636625,0.1399636625,0.1399636625,GGA,Im-3m,A_cI2_229_a:Nd,1.0,A_cI2_229_a:Nd +mp-31172,Ca5Ag3,-2.5996926369,-0.2839842106,0.0,-0.0310836456,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ag-Ca,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_c2l:Ag-Ca, expected Ca3Ag to be Ca5Ag3" +mp-16770,Ca2Ag7,-2.8829225533,-0.2341345774,0.0,-0.0357761389,GGA,Cmcm,A7B2_oC36_63_cgh_f:Ag-Ca,18.0,A7B2_oC36_63_cgh_f:Ag-Ca +mp-20064,DyGa2,-4.1968840633,-0.6425577683,0.0,-0.0267688313,GGA,P6/mmm,AB2_hP3_191_a_d:Dy-Ga,3.0,AB2_hP3_191_a_d:Dy-Ga +mp-1078613,DyPt,-6.6208888262,-1.2819287463,0.0,-0.0924200642,GGA,Pnma,AB_oP8_62_c_c:Dy-Pt,8.0,AB_oP8_62_c_c:Dy-Pt +mp-1205197,Dy3Ga2,-4.5126456317,-0.5373351187000001,0.0,-0.0247465762,GGA,I4/mcm,A3B2_tI80_140_ghm_achl:Dy-Ga,40.0,A3B2_tI80_140_ghm_achl:Dy-Ga +mp-571406,Ga2Pt,-4.6143056531,-0.5718638648000001,0.0091855735,-0.0141836225,GGA,I4_1/acd,A2B_tI96_142_2g_df:Ga-Pt,48.0,"Invalid WP multiplicities - A2B_tI96_142_18g_4d4f:Ga-Pt, expected Ga9Pt2 to be Ga2Pt" +mp-22095,Ga2Pt,-4.6234912267,-0.5810494383,0.0,-0.023369196,GGA,Fm-3m,A2B_cF12_225_c_a:Ga-Pt,3.0,A2B_cF12_225_c_a:Ga-Pt +mp-21400,Ga3Pt2,-4.842159818,-0.5968488765000001,0.0037759655,0.0037759655,GGA,P-3m1,A3B2_hP5_164_ad_d:Ga-Pt,5.0,A3B2_hP5_164_ad_d:Ga-Pt +mp-916,DyPt2,-6.6838148233,-1.1007969967,0.009148898,0.009148898,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Pt,6.0,AB2_cF24_227_a_d:Dy-Pt +mp-1184308,Ga3Pt,-3.9376438412,-0.1487884944,0.3021615639,0.3021615639,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Pt,8.0,A3B_hP8_194_h_c:Ga-Pt +mp-1184210,Ga3Pt,-3.9415940825,-0.1527387356,0.2982113227,0.2982113227,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Pt,4.0,A3B_cP4_221_c_a:Ga-Pt +mp-1184218,Ga3Pt,-3.95384612,-0.1649907731,0.2859592852,0.2859592852,GGA,Fm-3m,A3B_cF16_225_ac_b:Ga-Pt,4.0,A3B_cF16_225_ac_b:Ga-Pt +mp-2465,DyPt3,-6.7123366125,-1.0072899125,0.0,-0.181692165,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pt,4.0,AB3_cP4_221_a_c:Dy-Pt +mp-1095583,DyGaPt,-5.6695681633,-1.1008961025,0.0,-0.1394913785,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ga-Pt,12.0,ABC_oP12_62_c_c_c:Dy-Ga-Pt +mp-1188512,Ga7Pt3,-4.479103137,-0.5380959252,0.0,-0.0121149852,GGA,Im-3m,A7B3_cI40_229_df_e:Ga-Pt,20.0,A7B3_cI40_229_df_e:Ga-Pt +mp-1104450,Dy3Ga9Pt2,-4.4777027857,-0.6765962598,0.0173000307,0.0173000307,GGA,Immm,A3B9C2_oI28_71_ag_b2n_f:Dy-Ga-Pt,14.0,A3B9C2_oI28_71_ag_b2n_f:Dy-Ga-Pt +mp-542342,Dy5Ga3,-4.4983170262,-0.4835392428,0.020212431,0.020212431,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Dy-Ga,16.0,A5B3_tI32_140_cl_ah:Dy-Ga +mp-1212792,Dy4Ga12Pt,-4.2075644876,-0.6290096082000001,0.0,-0.0342421288,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Dy-Ga-Pt,17.0,A4B12C_cI34_229_c_de_a:Dy-Ga-Pt +mp-1103421,Dy2Pt,-6.0343744575,-0.9394721242,0.0,-0.036685485,GGA,Pnma,A2B_oP12_62_2c_c:Dy-Pt,12.0,A2B_oP12_62_2c_c:Dy-Pt +mp-1225770,Dy6Ga19Pt3,-4.2962914479,-0.6038648254,0.0485301609,0.0485301609,GGA,Cm,A6B19C3_mC56_8_6a_19a_3a:Dy-Ga-Pt,28.0,A6B19C3_mC56_8_6a_19a_3a:Dy-Ga-Pt +mp-2223,GaPt2,-5.58983383,-0.5330462758,0.0,-0.0151312946,GGA,Pmma,AB2_oP24_51_bei_dei2j:Ga-Pt,24.0,AB2_oP24_51_bei_dei2j:Ga-Pt +mp-1212888,Dy4Pt,-4.928049809,-0.028393673,0.537702062,0.537702062,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Pt,10.0,A4B_cF40_227_e_a:Dy-Pt +mp-30663,Ga3Pt5,-5.4847855837,-0.5547912503,0.0024904434,0.0024904434,GGA,Cmmm,A3B5_oC16_65_ah_bej:Ga-Pt,8.0,A3B5_oC16_65_ah_bej:Ga-Pt +mp-30604,DyGa,-4.4462271725,-0.6287857413,0.0,-0.0391819024,GGA,Cmcm,AB_oC8_63_c_c:Dy-Ga,4.0,AB_oC8_63_c_c:Dy-Ga +mp-1025551,GaPt,-5.1796026187,-0.6299879475,0.0,-0.0518313493,GGA,P2_13,AB_cP8_198_a_a:Ga-Pt,8.0,AB_cP8_198_a_a:Ga-Pt +mp-1199016,Ga5Pt,-3.8409758521,-0.3057069467,0.0,-0.006764766,GGA,P2_1/m,A5B_mP48_11_2e9f_2f:Ga-Pt,48.0,A5B_mP48_11_2e9f_2f:Ga-Pt +mp-1190297,DyGa3,-3.9506413319,-0.527872605,0.0096147281,-0.035847905,GGA,R-3m,AB3_hR48_166_2c_2h:Dy-Ga,16.0,AB3_hR48_166_2c_2h:Dy-Ga +mp-865103,DyGa3,-3.9539610475,-0.5311923206,0.0062950125,-0.0391676206,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Ga,8.0,AB3_hP8_194_c_h:Dy-Ga +mp-1201237,DyGa3,-3.9565957755,-0.5338270486,0.0036602845,-0.0418023486,GGA,P6_3/mmc,AB3_hP40_194_b2f_h2k:Dy-Ga,40.0,AB3_hP40_194_b2f_h2k:Dy-Ga +mp-570291,DyGa3,-3.96025606,-0.5374873331,0.0,-0.0454626331,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Ga,4.0,AB3_cP4_221_a_c:Dy-Ga +mp-623066,GaPt3,-5.7497591025,-0.4393851069,0.0047773363,-0.0396004,GGA,P4/mbm,AB3_tP16_127_f_egh:Ga-Pt,16.0,"Invalid WP multiplicities - AB3_tP16_127_f_2e2g3h:Ga-Pt, expected GaPt7 to be GaPt3" +mp-1078666,GaPt3,-5.740439185,-0.4300651894,0.0140972538,-0.0302804825,GGA,P4/mbm,AB3_tP8_127_c_bg:Ga-Pt,8.0,AB3_tP8_127_c_bg:Ga-Pt +mp-1181673,GaPt3,-5.6262661469,-0.3158921512,0.1282702919,0.0838925556,GGA,P4/mbm,AB3_tP16_127_f_egh:Ga-Pt,16.0,"Invalid WP multiplicities - AB3_tP16_127_f_2e2g3h:Ga-Pt, expected GaPt7 to be GaPt3" +mp-862621,GaPt3,-5.7545364387,-0.4441624431,0.0,-0.0443777362,GGA,I4/mcm,AB3_tI16_140_b_ah:Ga-Pt,8.0,AB3_tI16_140_b_ah:Ga-Pt +mp-11407,GaPt3,-5.7412860875,-0.4309120919,0.0132503512,-0.031127385,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Pt,4.0,AB3_cP4_221_a_c:Ga-Pt +mp-1196980,Dy3Ga5,-4.2750448181,-0.6549397391,0.0,-0.0158249775,GGA,Pnma,A3B5_oP32_62_cd_3cd:Dy-Ga,32.0,A3B5_oP32_62_cd_3cd:Dy-Ga +mp-984713,Dy3Ga,-4.452836815,-0.2407226794,0.0951117698,0.0951117698,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Ga,4.0,A3B_cP4_221_c_a:Dy-Ga +mp-1189839,Dy5Pt3,-6.1562868944,-1.0003701244,0.0247161553,0.0247161553,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Pt,16.0,A5B3_hP16_193_dg_g:Dy-Pt +mp-1202228,Dy5Pt4,-6.4177485858,-1.1601410881,0.0076354508,0.0076354508,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Dy-Pt,36.0,A5B4_oP36_62_c2d_2cd:Dy-Pt +mp-1105479,Dy3Pt,-5.6804931288,-0.7076196688,0.0,-0.0030155756,GGA,Pnma,A3B_oP16_62_cd_c:Dy-Pt,16.0,A3B_oP16_62_cd_c:Dy-Pt +mp-1104534,DyGa6,-3.5521054657,-0.2984821836,0.0086534354,0.0086534354,GGA,P4/nbm,AB6_tP14_125_c_gm:Dy-Ga,14.0,AB6_tP14_125_c_gm:Dy-Ga +mp-1104664,Dy3Pt4,-6.6708232743,-1.2272670171,0.0,-0.0229661636,GGA,R-3,A3B4_hR42_148_f_abf:Dy-Pt,14.0,A3B4_hR42_148_f_abf:Dy-Pt +mp-567580,PaC,-9.813560935,-0.4418958587,0.0,-0.24630732,GGA,Fm-3m,AB_cF8_225_a_b:C-Pa,2.0,AB_cF8_225_a_b:C-Pa +mp-24,C,-8.3936912362,0.8349742562,0.8349742562,0.8349742562,GGA,Ia-3,A_cI16_206_c:C,8.0,A_cI16_206_c:C +mp-1197903,C,-7.8181657749,1.4104997176,1.4104997176,1.4104997176,GGA,P1,A_aP80_1_80a:C,80.0,A_aP80_1_80a:C +mp-1244913,C,-8.2344125448,0.9942529477,0.9942529477,0.9942529477,GGA,P1,A_aP100_1_100a:C,100.0,A_aP100_1_100a:C +mp-1244964,C,-8.2940688179,0.9345966746,0.9345966746,0.9345966746,GGA,P1,A_aP100_1_100a:C,100.0,A_aP100_1_100a:C +mp-1245190,C,-8.2137190889,1.0149464036,1.0149464036,1.0149464036,GGA,P1,A_aP100_1_100a:C,100.0,A_aP100_1_100a:C +mp-731594,C,-7.7275103332,1.5011551593,1.5011551593,1.5011551593,GGA,P2_1,A_mP28_4_14a:C,28.0,A_mP28_4_14a:C +mp-1096869,C,-9.110795272,0.1178702205,0.1178702205,0.1178702205,GGA,Cm,A_mC142_8_11a30b:C,71.0,A_mC142_8_11a55b:C +mp-1182029,C,-8.22625635,1.0024091425,1.0024091425,1.0024091425,GGA,P2/m,A_mP1_10_a:C,1.0,A_mP1_10_a:C +mp-2647017,C,-9.0510934885,0.177572004,0.177572004,0.177572004,GGA,P2_1/m,A_mP20_11_10e:C,20.0,A_mP20_11_20e:C +mp-632329,C,-9.214553435,0.0141120575,0.0141120575,0.0141120575,GGA,C2/m,A_mC4_12_i:C,2.0,A_mC4_12_i:C +mp-1080826,C,-8.9277499925,0.3009155,0.3009155,0.3009155,GGA,C2/m,A_mC16_12_4i:C,8.0,A_mC16_12_4i:C +mp-723638,C,-8.187300829,1.0413646635,1.0413646635,1.0413646635,GGA,P2_1/c,A_mP48_14_12e:C,48.0,A_mP48_14_12e:C +mp-1182684,C,-7.6990027224,1.5296627701,1.5296627701,1.5296627701,GGA,P2_12_12_1,A_oP80_19_20a:C,80.0,A_oP80_19_20a:C +mp-2646980,C,-8.586009818299999,0.6426556742,0.6426556742,0.6426556742,GGA,Pmmm,A_oP6_47_ijm:C,6.0,A_oP6_47_ijm:C +mp-568028,C,-8.6978042838,0.5308612087,0.5308612087,0.5308612087,GGA,Pnnm,A_oP120_58_2g14h:C,120.0,A_oP120_58_8g109h:C +mp-1147718,C,-8.8399725669,0.3886929256,0.3886929256,0.3886929256,GGA,Pnnm,A_oP120_58_2g14h:C,120.0,A_oP120_58_2g15h:C +mp-1205283,C,-8.5293626002,0.6993028923,0.6993028923,0.6993028923,GGA,Pnnm,A_oP120_58_2g14h:C,120.0,A_oP120_58_2g14h:C +mp-1190171,C,-8.9359953856,0.2926701069,0.2926701069,0.2926701069,GGA,Pnma,A_oP16_62_4c:C,16.0,A_oP16_62_4c:C +mp-1196857,C,-7.6275853123,1.6010801802,1.6010801802,1.6010801802,GGA,Pnma,A_oP52_62_c6d:C,52.0,A_oP52_62_c6d:C +mp-683919,C,-8.8782526234,0.3504128691,0.3504128691,0.3504128691,GGA,Cmcm,A_oC280_63_2f5g14h:C,140.0,A_oC280_63_7f18g109h:C +mp-1056957,C,-6.610471275,2.6181942175,2.6181942175,2.6181942175,GGA,Cmcm,A_oC4_63_c:C,2.0,A_oC4_63_c:C +mp-1097832,C,-6.621003805,2.6076616875000003,2.6076616875000003,2.6076616875000003,GGA,Cmcm,A_oC4_63_c:C,2.0,A_oC4_63_c:C +mp-1008374,C,-8.7902539875,0.438411505,0.438411505,0.438411505,GGA,Cmmm,A_oC8_65_gh:C,4.0,A_oC8_65_2g2h:C +mp-579909,C,-8.2836642788,0.9450012137,0.9450012137,0.9450012137,GGA,Cmmm,A_oC16_65_mn:C,8.0,A_oC16_65_2m2n:C +mp-568410,C,-8.7197784837,0.5088870087,0.5088870087,0.5088870087,GGA,Cmmm,A_oC16_65_mn:C,8.0,A_oC16_65_mn:C +mp-1078845,C,-8.9608955838,0.2677699087,0.2677699087,0.2677699087,GGA,Cmmm,A_oC16_65_pq:C,8.0,A_oC16_65_pq:C +mp-624889,C,-7.9725875062,1.2560779862,1.2560779862,1.2560779862,GGA,Cmme,A_oC16_67_lm:C,8.0,A_oC16_67_2l2m:C +mp-568363,C,-9.22041158,0.0082539125,0.0082539125,0.0082539125,GGA,Cmme,A_oC8_67_m:C,4.0,A_oC8_67_m:C +mp-568286,C,-9.2204766625,0.00818883,0.00818883,0.00818883,GGA,Cmme,A_oC8_67_m:C,4.0,A_oC8_67_m:C +mp-937760,C,-9.222609265,0.0060562275,0.0060562275,0.0060562275,GGA,Fmmm,A_oF8_69_g:C,2.0,A_oF8_69_g:C +mp-630227,C,-8.833123294,0.3955421985,0.3955421985,0.3955421985,GGA,Immm,A_oI120_71_lmn6o:C,60.0,A_oI120_71_3l4m4n37o:C +mp-1008395,C,-8.8935838175,0.335081675,0.335081675,0.335081675,GGA,I4/mmm,A_tI8_139_h:C,4.0,A_tI8_139_h:C +mp-1095534,C,-8.1053081617,1.1233573308,1.1233573308,1.1233573308,GGA,I4/mmm,A_tI24_139_hl:C,12.0,A_tI24_139_hl:C +mp-1095633,C,-8.2299113233,0.9987541692,0.9987541692,0.9987541692,GGA,I4/mmm,A_tI24_139_hm:C,12.0,A_tI24_139_hm:C +mp-1181996,C,-6.59184474,2.6368207525000003,2.6368207525000003,2.6368207525000003,GGA,I4/mmm,A_tI2_139_a:C,1.0,A_tI2_139_a:C +mp-1205417,C,-8.0600264105,1.168639082,1.168639082,1.168639082,GGA,I4/mmm,A_tI40_139_hlm:C,20.0,A_tI40_139_hlm:C +mp-990424,C,-9.218892915,0.0097725775,0.0097725775,0.0097725775,GGA,P-3m1,A_hP4_164_cd:C,4.0,A_hP4_164_cd:C +mp-680372,C,-8.819515511,0.4091499815,0.4091499815,0.4091499815,GGA,R-3m,A_hR180_166_2h4i:C,60.0,A_hR180_166_10h40i:C +mp-169,C,-9.225443465,0.0032220275,0.0032220275,0.0032220275,GGA,R-3m,A_hR6_166_c:C,2.0,A_hR6_166_c:C +mp-569304,C,-9.2267807,0.0018847925,0.0018847925,0.0018847925,GGA,R-3m,A_hR12_166_2c:C,4.0,A_hR12_166_3c:C +mp-569416,C,-9.198477725,0.0301877675,0.0301877675,0.0301877675,GGA,R-3m,A_hR24_166_4c:C,8.0,A_hR24_166_8c:C +mp-569517,C,-9.082063157,0.1466023355,0.1466023355,0.1466023355,GGA,R-3m,A_hR30_166_5c:C,10.0,A_hR30_166_10c:C +mp-569567,C,-9.0824196864,0.1462458061,0.1462458061,0.1462458061,GGA,R-3m,A_hR42_166_7c:C,14.0,A_hR42_166_12c:C +mp-2516584,C,-9.2286654925,0.0,0.0,0.0,GGA,R-3m,A_hR12_166_2c:C,4.0,A_hR12_166_3c:C +mp-990448,C,-9.21952875,0.0091367425,0.0091367425,0.0091367425,GGA,P6/mmm,A_hP2_191_c:C,2.0,A_hP2_191_c:C +mp-568806,C,-9.21672921,0.0119362825,0.0119362825,0.0119362825,GGA,P6/mmm,A_hP2_191_c:C,2.0,A_hP2_191_c:C +mp-1040425,C,-9.219185055,0.0094804375,0.0094804375,0.0094804375,GGA,P6/mmm,A_hP2_191_c:C,2.0,A_hP2_191_c:C +mp-48,C,-9.2202971575,0.008368335,0.008368335,0.008368335,GGA,P6_3/mmc,A_hP4_194_bc:C,4.0,A_hP4_194_bc:C +mp-47,C,-9.0652641875,0.163401305,0.163401305,0.163401305,GGA,P6_3/mmc,A_hP4_194_f:C,4.0,A_hP4_194_f:C +mp-606949,C,-9.2184253992,0.0102400933,0.0102400933,0.0102400933,GGA,P6_3/mmc,A_hP12_194_bc2f:C,12.0,A_hP12_194_2b2c7f:C +mp-611426,C,-9.0809636412,0.1477018512,0.1477018512,0.1477018512,GGA,P6_3/mmc,A_hP8_194_ef:C,8.0,A_hP8_194_4e4f:C +mp-611448,C,-9.0841729933,0.1444924992,0.1444924992,0.1444924992,GGA,P6_3/mmc,A_hP12_194_e2f:C,12.0,A_hP12_194_3e6f:C +mp-616440,C,-9.0856238513,0.1430416412,0.1430416412,0.1430416412,GGA,P6_3/mmc,A_hP16_194_e3f:C,16.0,A_hP16_194_3e8f:C +mp-997182,C,-9.2190248725,0.00964062,0.00964062,0.00964062,GGA,P6_3/mmc,A_hP4_194_bc:C,4.0,A_hP4_194_bc:C +mp-667273,C,-8.8379891542,0.3906763383,0.3906763383,0.3906763383,GGA,Fm-3,A_cF240_202_h2i:C,60.0,A_cF240_202_11h33i:C +mp-1196583,C,-8.843629407,0.3850360855,0.3850360855,0.3850360855,GGA,Pa-3,A_cP240_205_10d:C,240.0,A_cP240_205_10d:C +mp-1018088,C,-7.9225885075,1.306076985,1.306076985,1.306076985,GGA,I4_132,A_cI8_214_a:C,4.0,A_cI8_214_a:C +mp-1192619,C,-7.3083753021,1.9202901904,1.9202901904,1.9202901904,GGA,I-43m,A_cI58_217_ac2g:C,29.0,A_cI58_217_ac2g:C +mp-998866,C,-6.47199271,2.7566727825,2.7566727825,2.7566727825,GGA,Pm-3m,A_cP1_221_a:C,1.0,A_cP1_221_a:C +mp-1188817,C,-8.4634420035,0.765223489,0.765223489,0.765223489,GGA,Pm-3m,A_cP20_221_gi:C,20.0,A_cP20_221_gi:C +mp-66,C,-9.090368165,0.1382973275,0.1382973275,0.1382973275,GGA,Fd-3m,A_cF8_227_a:C,2.0,A_cF8_227_a:C +mp-570002,C,-8.463124965,0.7655405275,0.7655405275,0.7655405275,GGA,Im-3m,A_cI16_229_f:C,8.0,A_cI16_229_f:C +mp-1018130,PaC2,-9.5847832667,-0.2607847183,0.0338125208,0.0338125208,GGA,I4/mmm,A2B_tI6_139_e_a:C-Pa,3.0,A2B_tI6_139_e_a:C-Pa +mp-2249,HoZn,-3.27164524,-0.3505689999999999,0.0,-0.0556751913,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Zn,2.0,AB_cP2_221_a_b:Ho-Zn +mp-1192847,Ho6Zn23,-2.2593765238,-0.312184929,0.0243778161,0.0243778161,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Ho-Zn,29.0,A6B23_cF116_225_e_ad2f:Ho-Zn +mp-1184637,Ho2ZnHg,-3.082478275,-0.4004178463,0.0178827775,0.0178827775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Ho-Zn +mp-975256,Ho3Hg,-3.6616995325,-0.1489727888,0.094043335,0.094043335,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Ho,4.0,AB3_cP4_221_a_c:Hg-Ho +mp-1244987,Zn,-1.2013688532,0.0583747568,0.0583747568,0.0583747568,GGA,P1,A_aP100_1_100a:Zn,100.0,A_aP100_1_100a:Zn +mp-1245093,Zn,-1.2046746948,0.0550689152,0.0550689152,0.0550689152,GGA,P1,A_aP100_1_100a:Zn,100.0,A_aP100_1_100a:Zn +mp-1245184,Zn,-1.2108917173,0.0488518927,0.0488518927,0.0488518927,GGA,P1,A_aP100_1_100a:Zn,100.0,A_aP100_1_100a:Zn +mp-1245266,Zn,-1.2074276352,0.0523159748,0.0523159748,0.0523159748,GGA,P1,A_aP100_1_100a:Zn,100.0,A_aP100_1_100a:Zn +mp-1187812,Zn,-1.2488937933,0.0108498167,0.0108498167,0.0108498167,GGA,R-3m,A_hR9_166_ac:Zn,3.0,A_hR9_166_ac:Zn +mp-79,Zn,-1.25974361,0.0,0.0,0.0,GGA,P6_3/mmc,A_hP2_194_c:Zn,2.0,A_hP2_194_c:Zn +mp-2646972,Zn,-1.25453823,0.00520538,0.00520538,0.00520538,GGA,Fm-3m,A_cF4_225_a:Zn,1.0,A_cF4_225_a:Zn +mp-2647117,Zn,-1.18808118,0.07166243,0.07166243,0.07166243,GGA,Im-3m,A_cI2_229_a:Zn,1.0,A_cI2_229_a:Zn +mp-1092,HoHg,-2.929076865,-0.4860322475,0.0,-0.205388026,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Ho,2.0,AB_cP2_221_a_b:Hg-Ho +mp-30736,HoZn3,-2.4545337081,-0.3641237831,0.0,-0.0107840045,GGA,Pnma,AB3_oP16_62_c_3c:Ho-Zn,16.0,AB3_oP16_62_c_3c:Ho-Zn +mp-865259,HoHg3,-1.7105448837,-0.3371823925,0.0,-0.06086351,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Ho,8.0,A3B_hP8_194_h_c:Hg-Ho +mp-1197586,Ho13Zn58,-2.1894648858,-0.3213459465,0.0,-0.0155813658,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Ho-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Ho-Zn +mp-30713,Ho2Zn17,-1.8473652958,-0.2378674479,0.0,-0.0204767612,GGA,R-3m,A2B17_hR57_166_c_cdfh:Ho-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Ho-Zn, expected Ho2Zn23 to be Ho2Zn17" +mp-1200616,Ho2Zn17,-1.8401431268,-0.2306452789,0.0072221689,-0.0132545923,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ho-Zn,38.0,A2B17_hP38_194_bc_fgjk:Ho-Zn +mp-1215602,Zn3Hg,-0.8732406775,0.1474871212,0.1474871212,0.1474871212,GGA,Amm2,AB3_oC8_38_a_bc:Hg-Zn,4.0,AB3_oC8_38_a_bc:Hg-Zn +mp-972095,Zn3Hg,-0.9185445088,0.10218329,0.10218329,0.10218329,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Zn,8.0,AB3_hP8_194_c_h:Hg-Zn +mp-2041,HoZn2,-2.7604904417,-0.393191745,0.0,-0.0335862229,GGA,Imma,AB2_oI12_74_e_h:Ho-Zn,6.0,AB2_oI12_74_e_h:Ho-Zn +mp-1103837,HoZn12,-1.6948735554,-0.17954031,0.0,-0.0057140981,GGA,I4/mmm,AB12_tI26_139_a_fij:Ho-Zn,13.0,AB12_tI26_139_a_fij:Ho-Zn +mp-1063224,HoHg2,-2.0471807533,-0.3172575533,0.0695414575,0.0695414575,GGA,I4/mmm,A2B_tI6_139_e_a:Hg-Ho,3.0,A2B_tI6_139_e_a:Hg-Ho +mp-1009113,HoHg2,-1.7886994533,-0.0587762533,0.3280227575,0.3280227575,GGA,P-3m1,A2B_hP3_164_d_a:Hg-Ho,3.0,A2B_hP3_164_d_a:Hg-Ho +mp-11461,HoHg2,-2.0983483767,-0.3684251767,0.0183738342,0.0183738342,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Ho,3.0,A2B_hP3_191_c_b:Hg-Ho +mp-971767,ZnHg3,-0.4277582575,0.1149379187,0.1149379187,0.1149379187,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Zn,4.0,A3B_tI8_139_ad_b:Hg-Zn +mp-971803,ZnHg3,-0.4146014675,0.1280947088,0.1280947088,0.1280947088,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Zn,4.0,A3B_cP4_221_c_a:Hg-Zn +mp-971757,ZnHg3,-0.420939915,0.1217562612,0.1217562612,0.1217562612,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Zn,4.0,A3B_cF16_225_ac_b:Hg-Zn +mp-11483,TmIr,-7.61509644,-0.9579616383,0.0,-0.090068467,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Tm,2.0,AB_cP2_221_a_b:Ir-Tm +mp-979040,TmAl3,-4.3296248538,-0.4014841254,0.0122969763,-0.0272798475,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Tm,8.0,A3B_hP8_194_h_c:Al-Tm +mp-768,TmAl3,-4.34192183,-0.4137811017,0.0,-0.0395768237,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Tm,4.0,A3B_cP4_221_c_a:Al-Tm +mp-1105081,Tm5Ir2,-6.4385583714,-0.7162661605,0.0,-0.012477278,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Tm,14.0,A2B5_mC28_15_f_e2f:Ir-Tm +mp-982635,Tm3Al2,-4.510670509,-0.326938923,0.0,-0.0005648533,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Tm,20.0,A2B3_tP20_136_j_dfg:Al-Tm +mp-1885,AlIr,-7.250982695,-0.95897769,0.0,-0.515877365,GGA,Pm-3m,AB_cP2_221_a_b:Al-Ir,2.0,AB_cP2_221_a_b:Al-Ir +mp-1188237,Tm3Ir,-6.1984990631,-0.6320139506,0.0,-0.0052810602,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Tm,16.0,AB3_oP16_62_c_cd:Ir-Tm +mp-30743,TmIr2,-8.2316837117,-0.8474491172,0.0,-0.208808025,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Tm,6.0,A2B_cF24_227_c_b:Ir-Tm +mp-1244953,Al,-3.6498522018,0.0957236282,0.0957236282,0.0957236282,GGA,P1,A_aP100_1_100a:Al,100.0,A_aP100_1_100a:Al +mp-1245067,Al,-3.6312671435,0.1143086865,0.1143086865,0.1143086865,GGA,P1,A_aP100_1_100a:Al,100.0,A_aP100_1_100a:Al +mp-1245129,Al,-3.6508254192,0.0947504108,0.0947504108,0.0947504108,GGA,P1,A_aP100_1_100a:Al,100.0,A_aP100_1_100a:Al +mp-1245152,Al,-3.6434942792,0.1020815508,0.1020815508,0.1020815508,GGA,P1,A_aP100_1_100a:Al,100.0,A_aP100_1_100a:Al +mp-1245307,Al,-3.6380262889,0.1075495411,0.1075495411,0.1075495411,GGA,P1,A_aP100_1_100a:Al,100.0,A_aP100_1_100a:Al +mp-1239196,Al,-3.4434502975,0.3021255325,0.3021255325,0.3021255325,GGA,I4/mmm,A_tI8_139_de:Al,4.0,A_tI8_139_de:Al +mp-1183144,Al,-3.7341298575,0.0114459725,0.0114459725,0.0114459725,GGA,P6_3/mmc,A_hP4_194_ac:Al,4.0,A_hP4_194_2a2c:Al +mp-2647008,Al,-3.713497605,0.032078225,0.032078225,0.032078225,GGA,P6_3/mmc,A_hP2_194_c:Al,2.0,A_hP2_194_c:Al +mp-134,Al,-3.74557583,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Al,1.0,A_cF4_225_a:Al +mp-998860,Al,-3.65313185,0.09244398,0.09244398,0.09244398,GGA,Im-3m,A_cI2_229_a:Al,1.0,A_cI2_229_a:Al +mp-1187635,Tm3Al,-4.49125423,-0.197983705,0.0063531219,0.0063531219,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Tm,8.0,AB3_hP8_194_c_h:Al-Tm +mp-858,TmAl2,-4.4879347317,-0.4989390372,0.0,-0.0870957737,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Tm,6.0,A2B_cF24_227_c_b:Al-Tm +mp-2294,Al3Ir,-5.683440905,-0.6646504875,0.0,-0.0466880904,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Al-Ir,8.0,A3B_hP8_194_bf_c:Al-Ir +mp-1200220,Al3Ir,-5.5851401528,-0.5663497353,0.0983007522,0.0516126618,GGA,Pm-3n,A3B_cP32_223_k_ac:Al-Ir,32.0,A3B_cP32_223_k_ac:Al-Ir +mp-1207988,Tm2(Al3Ir)3,-5.7943853882,-0.8531599699,0.0,-0.1754351889,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Tm +mp-12003,Al9Ir2,-5.1965083018,-0.5249582264,0.0,-0.0415760536,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Al-Ir,22.0,"Invalid WP multiplicities - A9B2_mP22_14_a5e_e:Al-Ir, expected Al11Ir2 to be Al9Ir2" +mp-1208015,Tm4Al,-3.804593831,0.5251896737,0.6886591352,0.6886591352,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Tm,10.0,AB4_cF40_227_a_e:Al-Tm +mp-16721,TmAl,-4.5186732137,-0.4079675871,0.0,-0.0165286212,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Tm,16.0,AB_oP16_57_cd_2d:Al-Tm +mp-1208002,Tm4Ir,-5.248685215,0.0996699597,0.6052811202,0.6052811202,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Tm,10.0,AB4_cF40_227_a_e:Ir-Tm +mp-1198195,Tm5Ir3,-6.9950361691000005,-0.8832262120000001,0.0,-0.0662536024,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Tm,32.0,A3B5_tP32_130_cf_bg:Ir-Tm +mp-1208004,Tm5Ir3,-6.9607165587,-0.8489066017,0.0343196103,-0.0319339921,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Tm,16.0,A3B5_hP16_193_g_dg:Ir-Tm +mp-1094830,MgCd5,-1.0443057017,-0.00851756,0.0380145267,0.0380145267,GGA,Cm,A5B_mC12_8_5a_a:Cd-Mg,6.0,A5B_mC12_8_5a_a:Cd-Mg +mp-1039011,MgCd5,-1.0252385583,0.0105495833,0.05708167,0.05708167,GGA,P-6m2,A5B_hP6_187_agh_d:Cd-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Cd-Mg, expected MgCd9 to be MgCd5" +mp-1094742,MgCd5,-1.063393815,-0.0276056733,0.0189264133,0.0189264133,GGA,P-62m,A5B_hP6_189_cg_a:Cd-Mg,6.0,A5B_hP6_189_cg_a:Cd-Mg +mp-1094704,Mg5Cd,-1.51195105,-0.0245693817,0.0398289995,0.0398289995,GGA,Cm,AB5_mC12_8_a_5a:Cd-Mg,6.0,AB5_mC12_8_a_5a:Cd-Mg +mp-1094951,Mg5Cd,-1.5470696617000002,-0.0596879933,0.0047103878,0.0047103878,GGA,Amm2,AB5_oC12_38_a_2a3b:Cd-Mg,6.0,AB5_oC12_38_a_2a3b:Cd-Mg +mp-1094796,Mg5Cd,-1.5174620733,-0.030080405,0.0343179761,0.0343179761,GGA,R32,AB5_hR18_155_a_ce:Cd-Mg,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Cd-Mg, expected Mg10Cd to be Mg5Cd" +mp-1039434,Mg5Cd,-1.48075273,0.0066289383,0.0710273195,0.0710273195,GGA,P-6m2,AB5_hP6_187_a_dgh:Cd-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Cd-Mg, expected Mg9Cd to be Mg5Cd" +mp-1039246,MgCd,-1.3336956367,-0.0721107317,0.0268199983,0.0216408783,GGA,C2,AB_mC12_5_ac_bc:Cd-Mg,6.0,AB_mC12_5_ac_bc:Cd-Mg +mp-1039471,MgCd,-1.325212045,-0.06362714,0.03530359,0.03012447,GGA,Cm,AB_mC12_8_3a_3a:Cd-Mg,6.0,AB_mC12_8_3a_3a:Cd-Mg +mp-1039463,MgCd,-1.3051984917,-0.0436135867,0.0553171433,0.0501380233,GGA,Cm,AB_mC12_8_3a_3a:Cd-Mg,6.0,AB_mC12_8_3a_3a:Cd-Mg +mp-1039222,MgCd,-1.3161546183,-0.0545697133,0.0443610167,0.0391818967,GGA,Cm,AB_mC12_8_3a_3a:Cd-Mg,6.0,AB_mC12_8_3a_3a:Cd-Mg +mp-1038767,MgCd,-1.3253897625,-0.0638048575,0.0351258725,0.0299467525,GGA,C2/m,AB_mC8_12_i_i:Cd-Mg,4.0,AB_mC8_12_i_i:Cd-Mg +mp-1038944,MgCd,-1.3079524158,-0.0463675108,0.0525632192,0.0473840992,GGA,Amm2,AB_oC12_38_2ab_a2b:Cd-Mg,12.0,AB_oC12_38_2a4b_4a2b:Cd-Mg +mp-1039186,MgCd,-1.3351323242,-0.0735474192,0.0253833108,0.0202041908,GGA,Amm2,AB_oC12_38_ae_bd:Cd-Mg,12.0,AB_oC12_38_2a2e_2b2d:Cd-Mg +mp-978274,MgCd,-1.360515635,-0.09893073,0.0,-0.00517912,GGA,Amm2,AB_oC12_38_2ab_a2b:Cd-Mg,6.0,AB_oC12_38_2ab_a2b:Cd-Mg +mp-11307,MgCd,-1.3600779225,-0.0984930175,0.0004377125,-0.0047414075,GGA,Pmma,AB_oP4_51_e_f:Cd-Mg,4.0,AB_oP4_51_e_f:Cd-Mg +mp-1039164,MgCd,-1.320520955,-0.05893605,0.03999468,0.03481556,GGA,Pmmn,AB_oP4_59_a_b:Cd-Mg,4.0,AB_oP4_59_a_b:Cd-Mg +mp-1039124,MgCd,-1.34936532,-0.087780415,0.011150315,0.005971195,GGA,P4/mmm,AB_tP2_123_a_d:Cd-Mg,2.0,AB_tP2_123_a_d:Cd-Mg +mp-1039136,MgCd,-1.26887495,-0.007290045,0.091640685,0.086461565,GGA,P3m1,AB_hP6_156_2ab_a2b:Cd-Mg,6.0,AB_hP6_156_2ab_a2b:Cd-Mg +mp-1038975,MgCd,-1.28385555,-0.022270645,0.076660085,0.071480965,GGA,P-3m1,AB_hP4_164_d_d:Cd-Mg,4.0,AB_hP4_164_d_d:Cd-Mg +mp-1038972,MgCd,-1.31881085,-0.057225945,0.041704785,0.036525665,GGA,R-3m,AB_hR6_166_a_b:Cd-Mg,2.0,AB_hR6_166_a_b:Cd-Mg +mp-1039121,MgCd,-0.799625225,0.46195968,0.5608904100000001,0.55571129,GGA,P6_3mc,AB_hP4_186_b_b:Cd-Mg,4.0,AB_hP4_186_b_b:Cd-Mg +mp-1039443,MgCd,-1.2534317983,0.0081531067,0.1070838367,0.1019047167,GGA,P-6m2,AB_hP6_187_ah_dg:Cd-Mg,6.0,"Invalid WP multiplicities - AB_hP6_187_ah_d2g:Cd-Mg, expected Mg5Cd3 to be MgCd" +mp-1038829,MgCd,-1.318898605,-0.0573136999999999,0.04161703,0.03643791,GGA,P-6m2,AB_hP2_187_a_d:Cd-Mg,2.0,AB_hP2_187_a_d:Cd-Mg +mp-1039025,MgCd,-0.79987496,0.461709945,0.560640675,0.555461555,GGA,F-43m,AB_cF8_216_a_c:Cd-Mg,2.0,AB_cF8_216_a_c:Cd-Mg +mp-1038814,MgCd,-1.346753345,-0.08516844,0.01376229,0.00858317,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Mg,2.0,AB_cP2_221_a_b:Cd-Mg +mp-1039157,MgCd,-1.11174351,0.149841395,0.248772125,0.243593005,GGA,Fm-3m,AB_cF8_225_a_b:Cd-Mg,2.0,AB_cF8_225_a_b:Cd-Mg +mp-1094851,MgCd3,-1.1300708675,-0.037833535,0.031964595,0.02996673,GGA,Pmm2,A3B_oP4_25_abc_d:Cd-Mg,4.0,A3B_oP4_25_abc_d:Cd-Mg +mp-1094937,MgCd3,-1.11756898,-0.0253316475,0.0444664825,0.0424686175,GGA,Imm2,A3B_oI8_44_ac_b:Cd-Mg,4.0,A3B_oI8_44_ac_b:Cd-Mg +mp-1094771,MgCd3,-1.1436879725,-0.05145064,0.01834749,0.016349625,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Mg,4.0,A3B_tI8_139_ad_b:Cd-Mg +mp-1038869,MgCd3,-1.109129775,-0.0168924425,0.0529056875,0.0509078225,GGA,P-6m2,A3B_hP4_187_ah_b:Cd-Mg,4.0,A3B_hP4_187_ah_b:Cd-Mg +mp-30491,MgCd3,-1.1620354625,-0.06979813,0.0,-0.001997865,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Mg,8.0,A3B_hP8_194_h_c:Cd-Mg +mp-1094839,MgCd3,-1.1467762475,-0.054538915,0.015259215,0.01326135,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Mg,4.0,A3B_cP4_221_c_a:Cd-Mg +mp-1039249,MgCd3,-1.0988743675,-0.006637035,0.063161095,0.06116323,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Mg,4.0,A3B_cF16_225_ac_b:Cd-Mg +mp-1016231,CsMg3,-1.147884085,0.2761765455,0.2761765455,0.2761765455,GGA,Pmm2,AB3_oP4_25_a_bcd:Cs-Mg,4.0,AB3_oP4_25_a_bcd:Cs-Mg +mp-1713,CsCd13,-0.9642256629,-0.0432992877,0.0,-0.0432992877,GGA,Fm-3c,A13B_cF112_226_bi_a:Cd-Cs,28.0,A13B_cF112_226_bi_a:Cd-Cs +mp-1016273,CsMg6Cd,-1.1654807094,0.2620158446,0.3137663284,0.3137663284,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Cs-Mg, expected CsMg12Cd to be CsMg6Cd" +mp-1016267,CsMg6Cd,-1.1745509306,0.2529456234,0.3046961071,0.3046961071,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Cs-Mg, expected CsMg12Cd to be CsMg6Cd" +mp-1016264,CsMg7,-1.2167147975,0.2954555428,0.2954555428,0.2954555428,GGA,P-6m2,AB7_hP8_187_a_djk:Cs-Mg,8.0,AB7_hP8_187_a_djk:Cs-Mg +mp-1016253,Mg7Cd,-1.54050791,-0.0249016463,0.0303005354,0.0303005354,GGA,P-6m2,AB7_hP8_187_a_djk:Cd-Mg,8.0,AB7_hP8_187_a_djk:Cd-Mg +mp-1185581,Mg149Cd,-1.62484909,-0.0290849753,0.0,-0.0266974555,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Cd-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l5m16n8o:Cd-Mg, expected Mg309Cd to be Mg149Cd" +mp-1023489,Mg15Cd,-1.5674315119000002,-0.009488355,0.0319195275,0.0319195275,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Cd-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Cd-Mg, expected Mg27Cd to be Mg15Cd" +mp-1023568,CsMg15,-1.3792786656,0.1769465295,0.1769465295,0.1769465295,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Cs-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Cs-Mg, expected CsMg27 to be CsMg15" +mp-1094911,Mg2Cd,-1.4190518333,-0.0445685467,0.05253432,0.0436022167,GGA,Cm,AB2_mC12_8_2a_4a:Cd-Mg,6.0,AB2_mC12_8_2a_4a:Cd-Mg +mp-1039319,Mg2Cd,-1.4138962667,-0.03941298,0.0576898867,0.0487577833,GGA,C2/m,AB2_mC12_12_i_2i:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094776,Mg2Cd,-1.432605895,-0.0581226083,0.0389802583,0.030048155,GGA,C2/m,AB2_mC12_12_i_2i:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094985,Mg2Cd,-1.4448841117,-0.070400825,0.0267020417,0.0177699383,GGA,C2/c,AB2_mC12_15_e_f:Cd-Mg,6.0,AB2_mC12_15_e_f:Cd-Mg +mp-1094927,Mg2Cd,-1.4535723483,-0.0790890617,0.018013805,0.0090817017,GGA,Amm2,AB2_oC12_38_2a_a3b:Cd-Mg,6.0,AB2_oC12_38_2a_a3b:Cd-Mg +mp-1094697,Mg2Cd,-1.44041313,-0.0659298433,0.0311730233,0.02224092,GGA,Cmcm,AB2_oC12_63_c_g:Cd-Mg,6.0,AB2_oC12_63_c_g:Cd-Mg +mp-1039255,Mg2Cd,-1.437527425,-0.0630441383,0.0340587283,0.025126625,GGA,Cmcm,AB2_oC12_63_c_2c:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094909,Mg2Cd,-1.4715861533,-0.0971028667,0.0,-0.0089321033,GGA,Cmcm,AB2_oC12_63_c_2c:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094936,Mg2Cd,-1.4626639133,-0.0881806267,0.00892224,-9.8633e-06,GGA,Cmcm,AB2_oC12_63_c_2c:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094907,Mg2Cd,-1.435843265,-0.0613599783,0.0357428883,0.026810785,GGA,R32,AB2_hR18_155_c_ae:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Cd-Mg, expected Mg7Cd2 to be Mg2Cd" +mp-1039309,Mg2Cd,-1.3672295967,0.00725369,0.1043565567,0.0954244533,GGA,P-3m1,AB2_hP6_164_d_2d:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1039026,Mg2Cd,-1.3841837917,-0.009700505,0.0874023617,0.0784702583,GGA,P-6m2,AB2_hP6_187_g_adh:Cd-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Cd-Mg, expected Mg3Cd to be Mg2Cd" +mp-1094747,Mg2Cd,-1.4252282733,-0.0507449867,0.04635788,0.0374257767,GGA,P-62m,AB2_hP6_189_c_ag:Cd-Mg,6.0,AB2_hP6_189_c_ag:Cd-Mg +mp-1039495,Mg2Cd,-1.3842058483000002,-0.0097225617,0.087380305,0.0784482017,GGA,P6_3/mmc,AB2_hP6_194_c_f:Cd-Mg,6.0,AB2_hP6_194_c_f:Cd-Mg +mp-1038797,MgCd2,-1.1907746167,-0.0420880933,0.04831226,0.0374209033,GGA,Cm,A2B_mC12_8_4a_2a:Cd-Mg,6.0,A2B_mC12_8_4a_2a:Cd-Mg +mp-1094812,MgCd2,-1.1877469317,-0.0390604083,0.051339945,0.0404485883,GGA,C2/m,A2B_mC12_12_2i_i:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1039204,MgCd2,-1.1872798183,-0.038593295,0.0518070583,0.0409157017,GGA,C2/m,A2B_mC12_12_2i_i:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1094901,MgCd2,-1.1995421433,-0.05085562,0.0395447333,0.0286533767,GGA,C2/m,A2B_mC12_12_2i_i:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1094694,MgCd2,-1.2138843167,-0.0651977933,0.02520256,0.0143112033,GGA,C2/c,A2B_mC12_15_f_e:Cd-Mg,6.0,A2B_mC12_15_f_e:Cd-Mg +mp-1039543,MgCd2,-1.198239165,-0.0495526417,0.0408477117,0.029956355,GGA,Amm2,A2B_oC12_38_a3b_2a:Cd-Mg,12.0,A2B_oC12_38_2a6b_4a:Cd-Mg +mp-1094763,MgCd2,-1.2390868767,-0.0904003533,0.0,-0.0108913567,GGA,Cmcm,A2B_oC12_63_2c_c:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1094757,MgCd2,-1.2075471767,-0.0588606533,0.0315397,0.0206483433,GGA,Cmcm,A2B_oC12_63_g_c:Cd-Mg,6.0,A2B_oC12_63_g_c:Cd-Mg +mp-1094804,MgCd2,-1.23731845,-0.0886319267,0.0017684267,-0.00912293,GGA,Cmcm,A2B_oC12_63_2c_c:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1038882,MgCd2,-1.21202441,-0.0633378867,0.0270624667,0.01617111,GGA,Cmcm,A2B_oC12_63_2c_c:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1039029,MgCd2,-0.815928505,0.3327580183,0.4231583717,0.412267015,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cd-Mg,6.0,A2B_tP6_136_f_a:Cd-Mg +mp-1038785,MgCd2,-1.2125123811,-0.0638258578,0.0265744956,0.0156831389,GGA,R32,A2B_hR18_155_ae_c:Cd-Mg,18.0,"Invalid WP multiplicities - A2B_hR18_155_3a4e_c:Cd-Mg, expected Mg2Cd15 to be MgCd2" +mp-1039056,MgCd2,-1.140425285,0.0082612383,0.0986615917,0.087770235,GGA,P-3m1,A2B_hP6_164_2d_d:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Cd-Mg, expected MgCd3 to be MgCd2" +mp-1039175,MgCd2,-1.15512112,-0.0064345967,0.0839657567,0.0730744,GGA,P-6m2,A2B_hP6_187_adg_h:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Cd-Mg, expected MgCd3 to be MgCd2" +mp-972954,MgCd2,-1.1939627517,-0.0452762283,0.045124125,0.0342327683,GGA,P-62m,A2B_hP6_189_ag_c:Cd-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_189_a2g_c:Cd-Mg, expected Mg2Cd7 to be MgCd2" +mp-1039217,MgCd2,-1.1543049767,-0.0056184533,0.0847819,0.0738905433,GGA,P6_3/mmc,A2B_hP6_194_f_c:Cd-Mg,6.0,A2B_hP6_194_f_c:Cd-Mg +mp-1026592,CsMg14Cd,-1.3581348244,0.1557534776,0.1954355112,0.1954355112,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Cs-Mg, expected CsMg18Cd to be CsMg14Cd" +mp-1026598,CsMg14Cd,-1.3510035006,0.1628848014,0.2025668349,0.2025668349,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Cs-Mg, expected CsMg26Cd to be CsMg14Cd" +mp-978251,CsMg149,-1.5728619999,0.0227188655,0.0227188655,0.0227188655,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Cs-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Cs-Mg, expected CsMg315 to be CsMg149" +mp-1016237,Mg3Cd,-1.48137381,-0.0504413325,0.0323494475,0.0293100313,GGA,Pmm2,AB3_oP4_25_a_bcd:Cd-Mg,4.0,AB3_oP4_25_a_bcd:Cd-Mg +mp-1039426,Mg3Cd,-1.465622425,-0.0346899475,0.0481008325,0.0450614163,GGA,Imm2,AB3_oI8_44_a_bc:Cd-Mg,4.0,AB3_oI8_44_a_bc:Cd-Mg +mp-1039293,Mg3Cd,-1.4807210875,-0.04978861,0.03300217,0.0299627538,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Mg,4.0,AB3_tI8_139_a_bd:Cd-Mg +mp-1039055,Mg3Cd,-1.457046245,-0.0261137675,0.0566770125,0.0536375963,GGA,P-6m2,AB3_hP4_187_a_bh:Cd-Mg,4.0,AB3_hP4_187_a_bh:Cd-Mg +mp-30490,Mg3Cd,-1.5137232575,-0.08279078,0.0,-0.0030394162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Mg,8.0,AB3_hP8_194_c_h:Cd-Mg +mp-978273,Mg3Cd,-1.486887165,-0.0559546875,0.0268360925,0.0237966763,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Mg,4.0,AB3_cP4_221_a_c:Cd-Mg +mp-1038832,Mg3Cd,-1.4578064525,-0.026873975,0.055916805,0.0528773888,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Mg,4.0,AB3_cF16_225_a_bc:Cd-Mg +mp-550,Al12Mo,-4.41114895,-0.11941356,0.0114446877,0.0114446877,GGA,Im-3,A12B_cI26_204_g_a:Al-Mo,13.0,A12B_cI26_204_g_a:Al-Mo +mp-669,ThAl2,-5.4166811067000005,-0.44834447,0.0,-0.0737472308,GGA,P6/mmm,A2B_hP3_191_c_b:Al-Th,3.0,A2B_hP3_191_c_b:Al-Th +mp-16720,ThAl2,-5.381838475,-0.4135018383,0.0348426317,-0.0389045992,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Th,6.0,A2B_cF24_227_c_b:Al-Th +mp-568153,Al22Mo5,-5.3754335152,-0.3150291148,0.0,-0.0549374399,GGA,Fdd2,A22B5_oF216_43_11b_a2b:Al-Mo,54.0,"Invalid WP multiplicities - A22B5_oF216_43_40b_2a5b:Al-Mo, expected Al20Mo3 to be Al22Mo5" +mp-1651,Th2Al,-6.4198190967,-0.2287216533,0.0,-0.0045494183,GGA,I4/mcm,AB2_tI12_140_a_h:Al-Th,6.0,AB2_tI12_140_a_h:Al-Th +mp-1187069,Th3Mo,-7.919749585,0.35205663,0.35205663,0.35205663,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mo-Th,8.0,AB3_hP8_194_c_h:Mo-Th +mp-178,ThAl,-5.89967989,-0.31996285,0.0185702117,0.0185702117,GGA,Cmcm,AB_oC8_63_c_c:Al-Th,4.0,AB_oC8_63_c_c:Al-Th +mp-1201295,Th6Al43Mo4,-4.9925053458,-0.295797598,0.014590615,0.014590615,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Th,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Th +mp-569049,Al5Mo,-5.169671742,-0.2407501987,0.0427760047,0.0427760047,GGA,P321,A5B_hP60_150_3c7def4g_2c3d:Al-Mo,60.0,"Invalid WP multiplicities - A5B_hP60_150_6c14d2e2f20g_4c6d:Al-Mo, expected Al43Mo5 to be Al5Mo" +mp-571053,Al5Mo,-5.1672357925,-0.2383142492,0.0452119542,0.0452119542,GGA,R-3c,A5B_hR36_167_ce_b:Al-Mo,12.0,"Invalid WP multiplicities - A5B_hR36_167_4c4e_b:Al-Mo, expected Al20Mo to be Al5Mo" +mp-568607,Al5Mo,-5.1714997275,-0.2425781842,0.0409480192,0.0409480192,GGA,P6_322,A5B_hP12_182_bcg_d:Al-Mo,12.0,"Invalid WP multiplicities - A5B_hP12_182_2b2c4g_d:Al-Mo, expected Al16Mo to be Al5Mo" +mp-1182936,Al2Mo3,-7.8828366805,0.1227837175,0.3956863761,0.3956863761,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Al-Mo,40.0,A2B3_mP40_14_4e_6e:Al-Mo +mp-1198386,Al2Mo3,-7.9406725728,0.0649478252,0.3378504838,0.3378504838,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Al-Mo,40.0,A2B3_mP40_14_4e_6e:Al-Mo +mp-1306,ThAl3,-5.0645608688,-0.4019144338,0.0,-0.0354896667,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Th,8.0,A3B_hP8_194_h_c:Al-Th +mp-259,AlMo3,-9.3147304763,-0.2440989363,0.0,-0.1286858556,GGA,Pm-3n,AB3_cP8_223_a_c:Al-Mo,8.0,AB3_cP8_223_a_c:Al-Mo +mp-1208289,Th4Al,-5.935614884,0.744586882,0.8818198740000001,0.8818198740000001,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Th,10.0,AB4_cF40_227_a_e:Al-Th +mp-570651,Al17Mo4,-5.3601201571,-0.2621492262,0.0541320772,0.0541320772,GGA,C2/c,A17B4_mC84_15_e8f_2f:Al-Mo,42.0,"Invalid WP multiplicities - A17B4_mC84_15_2e28f_5f:Al-Mo, expected Al29Mo5 to be Al17Mo4" +mp-2378,Th3Al2,-6.175809125,-0.229263843,0.0433823737,0.0433823737,GGA,P4/mbm,A2B3_tP10_127_g_ah:Al-Th,10.0,A2B3_tP10_127_g_ah:Al-Th +mp-2733,Al8Mo3,-6.0177068682,-0.3357471436,0.0,-0.017871431,GGA,C2/m,A8B3_mC22_12_4i_ai:Al-Mo,11.0,A8B3_mC22_12_4i_ai:Al-Mo +mp-30334,Th2Al7,-4.8998679006,-0.3391181994,0.018139075,0.018139075,GGA,Pbam,A7B2_oP18_55_agi_h:Al-Th,18.0,A7B2_oP18_55_agi_h:Al-Th +mp-571247,Al3Mo,-5.8419832925,-0.3213888925,0.0089795321,0.0089795321,GGA,C2/m,A3B_mC32_12_6i_2i:Al-Mo,16.0,"Invalid WP multiplicities - A3B_mC32_12_12i_3i:Al-Mo, expected Al4Mo to be Al3Mo" +mp-30180,Al4Mo,-5.4172048867,-0.2516142007,0.0669210421,0.0669210421,GGA,Cm,A4B_mC30_8_2a5b_ab:Al-Mo,15.0,A4B_mC30_8_2a5b_ab:Al-Mo +mp-19927,CeZnGe,-4.5296371192,-0.5910169125,0.0,-0.0634829966,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ce-Ge-Zn,12.0,ABC_hP12_194_ab_f_f:Ce-Ge-Zn +mp-986,CeZn,-3.78994466,-0.1935282775,0.0283525763,0.0283525763,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Zn,2.0,AB_cP2_221_a_b:Ce-Zn +mp-1213908,Ce3Ge5,-5.7878695587,-0.6735687162,0.0,-0.0028653198,GGA,Fdd2,A3B5_oF64_43_ab_a2b:Ce-Ge,16.0,A3B5_oF64_43_ab_a2b:Ce-Ge +mp-394,CeZn5,-2.2993102717,-0.2606757375,0.0105614986,0.0105614986,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ce-Zn, expected CeZn8 to be CeZn5" +mp-11665,Ce2(Zn2Ge)3,-3.4128374427,-0.3861353032,0.0,-0.0125850904,GGA,P-62m,A2B3C6_hP11_189_c_g_fg:Ce-Ge-Zn,11.0,"Invalid WP multiplicities - A2B3C6_hP11_189_c_g_2f2g:Ce-Ge-Zn, expected Ce2(Zn4Ge)3 to be Ce2(Zn2Ge)3" +mp-510493,Ce5Ge3,-6.0402347544,-0.5984185869,0.0114589106,0.0114589106,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ce-Ge,16.0,A5B3_hP16_193_dg_g:Ce-Ge +mp-971928,Zn3Ge,-1.98297408,0.1175905912,0.1175905912,0.1175905912,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Zn,4.0,AB3_tI8_139_a_bd:Ge-Zn +mp-17567,Ce2(ZnGe2)3,-4.3358881982,-0.3919267191,0.0,-0.0319660377,GGA,Cmcm,A2B6C3_oC44_63_2c_2ch_ce:Ce-Ge-Zn,22.0,"Invalid WP multiplicities - A2B6C3_oC44_63_2c_3c2h_2c3e:Ce-Ge-Zn, expected Ce2Zn8Ge11 to be Ce2(ZnGe2)3" +mp-21055,CeGe2,-5.6341399867,-0.5744250317,0.0375160775,0.0375160775,GGA,I4_1/amd,AB2_tI12_141_a_e:Ce-Ge,6.0,AB2_tI12_141_a_e:Ce-Ge +mp-984703,CeGe5,-5.1384409317,-0.2970695267,0.0089010279,0.0089010279,GGA,Immm,AB5_oI12_71_a_bm:Ce-Ge,6.0,AB5_oI12_71_a_bm:Ce-Ge +mp-1188050,ZnGe3,-3.4841317325,0.2980750613,0.2980750613,0.2980750613,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Zn,8.0,A3B_hP8_194_h_c:Ge-Zn +mp-971753,ZnGe3,-3.5133371525,0.2688696412,0.2688696412,0.2688696412,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Zn,4.0,A3B_cP4_221_c_a:Ge-Zn +mp-862292,Ce3Zn11,-2.5531840207,-0.2920092225,0.0,-0.0072548962,GGA,Immm,A3B11_oI28_71_ag_bf2n:Ce-Zn,14.0,"Invalid WP multiplicities - A3B11_oI28_71_ag_b2f8n:Ce-Zn, expected Ce3Zn37 to be Ce3Zn11" +mp-1079395,CeGe,-5.9832059525000005,-0.7051474475,0.0,-0.0073904483,GGA,Pnma,AB_oP8_62_c_c:Ce-Ge,8.0,AB_oP8_62_c_c:Ce-Ge +mp-568360,Ce13Zn58,-2.3921712936,-0.2767446965,0.0016603377,0.0016603377,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Ce-Zn,142.0,"Invalid WP multiplicities - A13B58_hP142_194_2a10h7k_2b2c4f6g6h10i11j42k19l:Ce-Zn, expected Ce37Zn327 to be Ce13Zn58" +mp-640370,CeZn11,-1.8473399208,-0.1981508488,0.0,-0.0068116304,GGA,I4_1/amd,AB11_tI48_141_b_aci:Ce-Zn,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_2a3c5i:Ce-Zn, expected CeZn48 to be CeZn11" +mp-1213824,Ce4Ge3,-6.0686371664,-0.6970028543,0.0,-0.0136586523,GGA,I-43d,A4B3_cI28_220_c_a:Ce-Ge,14.0,A4B3_cI28_220_c_a:Ce-Ge +mp-1200696,Ce5Ge4,-6.0593470356,-0.7085073472,0.0,-0.0096945833,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ce-Ge,36.0,A5B4_oP36_62_c2d_2cd:Ce-Ge +mp-1385,CeZn2,-3.1133665967,-0.2958411383,0.0,-0.03457301,GGA,Imma,AB2_oI12_74_e_h:Ce-Zn,6.0,AB2_oI12_74_e_h:Ce-Zn +mp-1077032,CeZn2,-3.109146665,-0.2916212067,0.0042199317,-0.0303530783,GGA,Imma,AB2_oI12_74_e_h:Ce-Zn,6.0,AB2_oI12_74_e_h:Ce-Zn +mp-1200337,Ce3Ge,-5.9584478663,-0.3528740363,0.0537109621,0.0537109621,GGA,P4_2/n,A3B_tP32_86_3g_g:Ce-Ge,32.0,A3B_tP32_86_3g_g:Ce-Ge +mp-1188098,CeZn3,-2.7220066406,-0.2939266444,0.0,-0.0007678471,GGA,Pnma,AB3_oP16_62_c_3c:Ce-Zn,16.0,AB3_oP16_62_c_3c:Ce-Zn +mp-640118,CeZn3,-2.7209442112,-0.292864215,0.0010624294,0.0002945822,GGA,Cmcm,AB3_oC16_63_c_cf:Ce-Zn,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_2cf:Ce-Zn, expected CeZn4 to be CeZn3" +mp-542458,Ce2Zn17,-1.9933663642,-0.2416916442,0.0,-0.0120038094,GGA,R-3m,A2B17_hR57_166_c_cdfh:Ce-Zn,19.0,A2B17_hR57_166_c_cdfh:Ce-Zn +mp-978252,Ce2Zn17,-1.9842103542,-0.2325356342,0.00915601,-0.0028477994,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ce-Zn,38.0,A2B17_hP38_194_bc_fgjk:Ce-Zn +mp-1207544,ZnGe,-2.4951409219,0.4462448106,0.4462448106,0.4462448106,GGA,Pca2_1,AB_oP16_29_2a_2a:Ge-Zn,16.0,AB_oP16_29_2a_2a:Ge-Zn +mp-1226948,Ce2Ge3,-5.756865042,-0.609812667,0.0700717955,0.0700717955,GGA,Imm2,A2B3_oI10_44_ab_2ab:Ce-Ge,,A2B3_oI10_44_ab_2ab:Ce-Ge +mp-698212,Ce3Zn22,-2.0714257648,-0.2508806894,0.0,-0.0023874967,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:Ce-Zn,50.0,A3B22_tI100_141_ae_c3hi:Ce-Zn +mp-984772,Ce3Zn,-4.8179399275,-0.0531871588,0.0577532681,0.0577532681,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Zn,4.0,A3B_tI8_139_ad_b:Ce-Zn +mp-1213848,Ce4Ge7,-5.7669859014,-0.6675721191,0.0,-0.0144145761,GGA,C222_1,A4B7_oC44_20_abc_a3c:Ce-Ge,22.0,A4B7_oC44_20_abc_a3c:Ce-Ge +mp-1227268,Ce4Ge7,-5.68904927,-0.5896354877000001,0.0779366314,0.0635220553,GGA,Pmm2,A4B7_oP11_25_abcd_2a2b2cd:Ce-Ge,11.0,A4B7_oP11_25_abcd_2a2b2cd:Ce-Ge +mp-1207013,Si2Rh3,-7.39857748,-0.809865546,0.0,-0.0552457158,GGA,P-3m1,A3B2_hP5_164_ad_d:Rh-Si,5.0,A3B2_hP5_164_ad_d:Rh-Si +mp-1072248,EuSi2,-7.5075083267,-0.47162904,0.0,-0.0895994683,GGA,I4_1/amd,AB2_tI12_141_a_e:Eu-Si,6.0,AB2_tI12_141_a_e:Eu-Si +mp-19862,EuSi2,-7.4672221633,-0.4313428767,0.0402861633,-0.049313305,GGA,P6/mmm,AB2_hP3_191_a_d:Eu-Si,3.0,AB2_hP3_191_a_d:Eu-Si +mp-1068807,EuSi3Rh,-7.489633538,-0.710180786,0.0,-0.114885573,GGA,I4mm,ABC3_tI10_107_a_a_ab:Eu-Rh-Si,5.0,ABC3_tI10_107_a_a_ab:Eu-Rh-Si +mp-978552,SiRh3,-7.22086363,-0.34130322,0.1960691619,0.1960691619,GGA,I4/mmm,A3B_tI8_139_ad_b:Rh-Si,4.0,A3B_tI8_139_ad_b:Rh-Si +mp-21383,Eu(SiRh)2,-7.246445532,-0.079194812,0.6275881863,0.6275881863,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Rh-Si +mp-540791,Si4Rh3,-6.9639658529,-0.7076521771000001,0.0,-0.0387525261,GGA,Pnma,A3B4_oP28_62_3c_4c:Rh-Si,28.0,A3B4_oP28_62_3c_4c:Rh-Si +mp-21012,Si3Rh5,-7.3853657362,-0.7481790562,0.0266731009,0.0266731009,GGA,Pbam,A5B3_oP16_55_agh_ch:Rh-Si,16.0,A5B3_oP16_55_agh_ch:Rh-Si +mp-1219339,Si13Rh20,-7.3460505673,-0.7455871797,0.055790272,0.055790272,GGA,P-3,A20B13_hP33_147_d3g_a2g:Rh-Si,33.0,A20B13_hP33_147_d3g_a2g:Rh-Si +mp-1190061,Eu5Si3,-8.9276316756,-0.4825112894,0.0,-0.0162351525,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Eu-Si,16.0,A5B3_tI32_140_cl_ah:Eu-Si +mp-20418,SiRh2,-7.4344744325,-0.7164965092000001,0.0,-0.0416085542,GGA,Pnma,A2B_oP12_62_2c_c:Rh-Si,12.0,A2B_oP12_62_2c_c:Rh-Si +mp-1102477,Eu2Si,-9.0771272733,-0.43068673,0.0,-0.0017878061,GGA,Pnma,A2B_oP12_62_2c_c:Eu-Si,12.0,A2B_oP12_62_2c_c:Eu-Si +mp-2287,SiRh,-7.157755065,-0.7629421150000001,0.0174408113,-0.0127010342,GGA,P2_1/c,AB_mP8_14_e_e:Rh-Si,8.0,AB_mP8_14_e_e:Rh-Si +mp-818,SiRh,-7.1751958763,-0.7803829262,0.0,-0.0301418454,GGA,Pnma,AB_oP8_62_c_c:Rh-Si,8.0,AB_oP8_62_c_c:Rh-Si +mp-1483,SiRh,-7.1423365988,-0.7475236487,0.0328592775,0.0027174321,GGA,P2_13,AB_cP8_198_a_a:Rh-Si,8.0,AB_cP8_198_a_a:Rh-Si +mp-10110,SiRh,-6.89117668,-0.49636373,0.2840191963,0.2538773508,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Si,2.0,AB_cP2_221_a_b:Rh-Si +mp-21279,EuSi,-8.4142042725,-0.5730443575,0.0,-0.0951968893,GGA,Cmcm,AB_oC8_63_c_c:Eu-Si,4.0,AB_oC8_63_c_c:Eu-Si +mp-542709,EuSi6,-6.1690389979,-0.0534804293,0.1486463021,0.1486463021,GGA,Cmcm,AB6_oC28_63_c_3f:Eu-Si,14.0,AB6_oC28_63_c_3f:Eu-Si +mp-1189512,Eu3Rh,-9.8721118306,-0.3382835131,0.0,-0.1686838369,GGA,Pnma,A3B_oP16_62_cd_c:Eu-Rh,16.0,A3B_oP16_62_cd_c:Eu-Rh +mp-568792,Si5Rh4,-6.9795872906,-0.6924959983,0.0313185675,0.0313185675,GGA,P2_1/m,A4B5_mP18_11_4e_5e:Rh-Si,18.0,"Invalid WP multiplicities - A4B5_mP18_11_5e_10e:Rh-Si, expected Si2Rh to be Si5Rh4" +mp-623827,EuRh2,-8.7808049833,-0.4522658033,0.0,-0.3019175753,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-Rh,6.0,AB2_cF24_227_a_d:Eu-Rh +mp-15965,Hf5Si3,-8.9756530944,-0.7179156894000001,0.0333882006,0.0333882006,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Hf-Si,16.0,A5B3_hP16_193_dg_g:Hf-Si +mp-1042,HfSi,-8.47378358,-0.78253005,0.0,-0.0739370902,GGA,Pnma,AB_oP8_62_c_c:Hf-Si,8.0,AB_oP8_62_c_c:Hf-Si +mp-31022,Hf2Si4Ru3,-8.5252725442,-0.8098438997,0.0069152303,0.0069152303,GGA,C2/c,A2B3C4_mC72_15_2f_3f_2e3f:Hf-Ru-Si,36.0,"Invalid WP multiplicities - A2B3C4_mC72_15_2f_6f_2e3f:Hf-Ru-Si, expected HfSi2Ru3 to be Hf2Si4Ru3" +mp-17216,Hf5Si4,-8.7151026453,-0.7720785042,0.0035189492,0.0035189492,GGA,P4_12_12,A5B4_tP36_92_a2b_2b:Hf-Si,36.0,A5B4_tP36_92_a2b_2b:Hf-Si +mp-569815,Si2Ru,-7.2520737579,-0.5437275579,0.0,-0.05068743,GGA,Cmce,AB2_oC48_64_df_2g:Ru-Si,24.0,"Invalid WP multiplicities - AB2_oC48_64_3d3f_7g:Ru-Si, expected Si7Ru3 to be Si2Ru" +mp-7754,Si2Ru,-7.1246364633,-0.4162902633,0.1274372946,0.0767498646,GGA,P4/mmm,AB2_tP3_123_a_h:Ru-Si,3.0,AB2_tP3_123_a_h:Ru-Si +mp-12874,Si2Ru,-6.9631531067,-0.2548069067,0.2889206512,0.2382332212,GGA,Fm-3m,AB2_cF12_225_a_c:Ru-Si,3.0,AB2_cF12_225_a_c:Ru-Si +mp-1184668,Hf3Si,-9.0675179713,-0.2432966913,0.2967468688,0.2967468688,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Si,8.0,A3B_hP8_194_h_c:Hf-Si +mp-22192,Si3Ru2,-7.5565999875,-0.5916481535,0.0,-0.0199699903,GGA,Pbcn,A2B3_oP40_60_2cd_3d:Ru-Si,40.0,A2B3_oP40_60_2cd_3d:Ru-Si +mp-669501,Si3Ru2,-7.3215541497,-0.3566023157,0.2350458377,0.2150758475,GGA,Pbcn,A2B3_oP40_60_2cd_3d:Ru-Si,40.0,"Invalid WP multiplicities - A2B3_oP40_60_7c6d_14d:Ru-Si, expected Si28Ru19 to be Si3Ru2" +mp-1179780,Si3Ru2,-6.9437553283,0.0211965057,0.6128446592,0.5928746690000001,GGA,Pbcn,A2B3_oP40_60_2cd_3d:Ru-Si,40.0,"Invalid WP multiplicities - A2B3_oP40_60_7c6d_14d:Ru-Si, expected Si28Ru19 to be Si3Ru2" +mp-20191,Si3Ru2,-7.534964653,-0.570012819,0.0216353345,0.0016653442,GGA,P-4c2,A2B3_tP20_116_adi_ej:Ru-Si,20.0,A2B3_tP20_116_adi_ej:Ru-Si +mp-9938,Hf2Si,-9.1666234433,-0.72005808,0.0,-0.0783485999999999,GGA,I4/mcm,A2B_tI12_140_h_a:Hf-Si,6.0,A2B_tI12_140_h_a:Hf-Si +mp-10025,SiRu2,-8.3727163042,-0.3813419342,0.0277274467,0.0277274467,GGA,Pnma,A2B_oP12_62_2c_c:Ru-Si,12.0,A2B_oP12_62_2c_c:Ru-Si +mp-2105,Hf3Si2,-8.914492006,-0.7700513760000001,0.0,-0.0187810415,GGA,P4/mbm,A3B2_tP10_127_ah_g:Hf-Si,10.0,A3B2_tP10_127_ah_g:Hf-Si +mp-1105935,Si3Ru5,-8.2582398544,-0.4272440056,0.0329590478,0.0329590478,GGA,Pbam,A5B3_oP16_55_agh_ch:Ru-Si,16.0,A5B3_oP16_55_agh_ch:Ru-Si +mp-978509,Si3Ru,-6.1773397125,0.210249445,0.6180451134,0.6180451134,GGA,Fm-3m,AB3_cF16_225_a_bc:Ru-Si,4.0,AB3_cF16_225_a_bc:Ru-Si +mp-1069,HfSi2,-7.4540780233,-0.5181363267,0.0035503733,0.0035503733,GGA,Cmcm,AB2_oC12_63_c_2c:Hf-Si,6.0,AB2_oC12_63_c_2c:Hf-Si +mp-189,SiRu,-7.9634643563,-0.6136040713,0.0,-0.0641576875,GGA,P2_13,AB_cP8_198_a_a:Ru-Si,8.0,AB_cP8_198_a_a:Ru-Si +mp-381,SiRu,-7.953726485,-0.6038662,0.0097378713,-0.0544198162,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Si,2.0,AB_cP2_221_a_b:Ru-Si +mp-866062,HfSiRu2,-9.28279389,-0.7999658550000001,0.0,-0.0787038819,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Si +mp-1212161,HfSiRu,-9.1722447828,-0.9532749161,0.0,-0.1419859363,GGA,Ima2,ABC_oI36_46_3b_ac_bc:Hf-Ru-Si,18.0,ABC_oI36_46_3b_ac_bc:Hf-Ru-Si +mp-1078884,HfSiRu,-9.1629625367,-0.94399267,0.0092822461,-0.1327036902,GGA,P-62m,ABC_hP9_189_f_g_ad:Hf-Ru-Si,9.0,ABC_hP9_189_f_g_ad:Hf-Ru-Si +mp-975921,HfRu3,-9.6565766038,-0.2114774413,0.2029824962,0.2029824962,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Ru,8.0,AB3_hP8_194_c_h:Hf-Ru +mp-1007657,HfRu3,-9.6694253975,-0.224326235,0.1901337025,0.1901337025,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Ru,4.0,AB3_cP4_221_a_c:Hf-Ru +mp-2802,HfRu,-10.44471566,-0.8289198750000001,0.0,-0.6793690517000001,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Ru,2.0,AB_cP2_221_a_b:Hf-Ru +mp-510412,Si3Ru4,-8.1440971554,-0.5193022625,0.0066440843,0.0066440843,GGA,Pnma,A4B3_oP28_62_4c_3c:Ru-Si,28.0,A4B3_oP28_62_4c_3c:Ru-Si +mp-1210665,Lu5Ru2,-6.3109297521,-0.4318500836,0.0,-0.0251942952,GGA,C2/c,A5B2_mC28_15_e2f_f:Lu-Ru,14.0,A5B2_mC28_15_e2f_f:Lu-Ru +mp-11495,LuRu,-7.366505535,-0.468829005,0.0,-0.0535536272,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Ru,2.0,AB_cP2_221_a_b:Lu-Ru +mp-1185530,LuZr3,-7.5329244588,0.0080886437,0.0080886437,0.0080886437,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Zr,8.0,AB3_hP8_194_c_h:Lu-Zr +mp-1189148,Lu3Ru,-6.1056071106,-0.3962935856,0.0,-0.0184247625,GGA,Pnma,A3B_oP16_62_cd_c:Lu-Ru,16.0,A3B_oP16_62_cd_c:Lu-Ru +mp-1205980,Lu3Ru2,-6.76818298,-0.345851652,0.105720523,0.105720523,GGA,P6_3/m,A3B2_hP10_176_h_bc:Lu-Ru,10.0,A3B2_hP10_176_h_bc:Lu-Ru +mp-214,ZrRu,-9.56863061,-0.6575790250000001,0.0,-0.3789836719,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Zr,2.0,AB_cP2_221_a_b:Ru-Zr +mp-1188033,ZrRu3,-9.2269680537,-0.1342409912,0.1945485213,0.1945485213,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ru-Zr,8.0,A3B_hP8_194_h_c:Ru-Zr +mp-1017544,ZrRu3,-9.24334961,-0.1506225475,0.178166965,0.178166965,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Zr,4.0,A3B_cP4_221_c_a:Ru-Zr +mp-865434,LuZrRu2,-8.5014491325,-0.5970850750000001,0.0,-0.03388106,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Zr +mp-569979,ZrRu2,-9.4036290408,-0.3714604708,0.0669255458,0.0669255458,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Zr,12.0,A2B_hP12_194_ah_f:Ru-Zr +mp-1185519,LuRu3,-8.029069575,0.05696996,0.358757915,0.358757915,GGA,I4/mmm,AB3_tI8_139_a_bd:Lu-Ru,4.0,AB3_tI8_139_a_bd:Lu-Ru +mp-973652,LuRu3,-8.0313908175,0.0546487175,0.3564366725,0.3564366725,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Ru,4.0,AB3_cP4_221_a_c:Lu-Ru +mp-568630,LuRu2,-8.0923024733,-0.40238394,0.0,-0.08983127,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Lu-Ru,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Lu-Ru, expected LuRu4 to be LuRu2" +mp-1222252,LuZr,-6.49445324,0.039872335,0.039872335,0.039872335,GGA,P-6m2,AB_hP2_187_a_d:Lu-Zr,2.0,AB_hP2_187_a_d:Lu-Zr +mp-1180295,Na3Si17,-4.7536159643,0.0562831553,0.0562831553,0.0562831553,GGA,Fd-3m,A3B17_cF160_227_bc_aeg:Na-Si,40.0,A3B17_cF160_227_bc_aeg:Na-Si +mp-4276,NaSi2Pd3,-5.2399113075,-0.6211101769,0.0,-0.1203081369,GGA,Imm2,AB3C2_oI24_44_ab_ce_2d:Na-Pd-Si,12.0,"Invalid WP multiplicities - AB3C2_oI24_44_ab_c2e_4d:Na-Pd-Si, expected NaSi4Pd5 to be NaSi2Pd3" +mp-1221235,Na3Si34,-5.0015230589,0.0911361005,0.0911361005,0.0911361005,GGA,R-3m,A3B34_hR111_166_ac_2c3hi:Na-Si,37.0,"Invalid WP multiplicities - A3B34_hR111_166_ac_3c14h8i:Na-Si, expected NaSi62 to be Na3Si34" +mp-186,Na4Si23,-4.7496338672,0.0678630166,0.0678630166,0.0678630166,GGA,Pm-3n,A4B23_cP54_223_ac_dik:Na-Si,54.0,"Invalid WP multiplicities - A4B23_cP54_223_ac_d2ik:Na-Si, expected Na4Si31 to be Na4Si23" +mp-2402,NaSi,-3.3492063369,0.0247153248,0.0247153248,0.0247153248,GGA,C2/c,AB_mC32_15_2f_2f:Na-Si,16.0,AB_mC32_15_2f_2f:Na-Si +mp-1189723,NaSi,-3.3242815194,0.0496401423,0.0496401423,0.0496401423,GGA,C2/c,AB_mC32_15_2f_2f:Na-Si,16.0,AB_mC32_15_2f_2f:Na-Si +mp-1220929,NaSi34,-5.1911122106,0.1169831698,0.1169831698,0.1169831698,GGA,F-43m,AB34_cF140_216_a_bc2e2h:Na-Si,35.0,AB34_cF140_216_a_bc2e2h:Na-Si +mp-697068,SiPd2,-5.9276988467,-0.6660049633,0.0,-0.0937041308,GGA,P-62m,A2B_hP9_189_fg_ad:Pd-Si,9.0,A2B_hP9_189_fg_ad:Pd-Si +mp-569278,SiPd2,-5.4539759033,-0.19228202,0.4737229433,0.3800188125,GGA,P-62m,A2B_hP9_189_2f_bc:Pd-Si,9.0,"Invalid WP multiplicities - A2B_hP9_189_5f_bc:Pd-Si, expected SiPd5 to be SiPd2" +mp-1186427,Pd,-5.173160825,0.006720985,0.006720985,0.006720985,GGA,P6_3/mmc,A_hP4_194_ac:Pd,4.0,A_hP4_194_2a2c:Pd +mp-2646997,Pd,-5.157308825,0.022572985,0.022572985,0.022572985,GGA,P6_3/mmc,A_hP2_194_c:Pd,2.0,A_hP2_194_c:Pd +mp-2,Pd,-5.17988181,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Pd,1.0,A_cF4_225_a:Pd +mp-2646977,Pd,-5.13511674,0.04476507,0.04476507,0.04476507,GGA,Im-3m,A_cI2_229_a:Pd,1.0,A_cI2_229_a:Pd +mp-505071,Si2Pd9,-5.6765018377,-0.4519952605,0.0,-0.0107211432,GGA,Pnma,A9B2_oP44_62_3c3d_2c:Pd-Si,44.0,A9B2_oP44_62_3c3d_2c:Pd-Si +mp-389,SiPd,-5.805998595,-0.503398675,0.0,-0.0038949525,GGA,Pnma,AB_oP8_62_c_c:Pd-Si,8.0,AB_oP8_62_c_c:Pd-Si +mp-1079083,SiPd,-5.673182025,-0.370582105,0.13281657,0.1289216175,GGA,I4/mcm,AB_tI16_140_h_h:Pd-Si,8.0,AB_tI16_140_h_h:Pd-Si +mp-976971,NaPd3,-4.2142192975,0.0013233834,0.008717815,0.008717815,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Pd,4.0,AB3_tI8_139_a_bd:Na-Pd +mp-1186079,Na3Si,-2.16912468,0.1790987976,0.1790987976,0.1790987976,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Si,4.0,A3B_cF16_225_ac_b:Na-Si +mp-1220932,Na5Si51,-4.9706570874,0.0883401625,0.0883401625,0.0883401625,GGA,C2/m,A5B51_mC224_12_ad4i_15i18j:Na-Si,112.0,"Invalid WP multiplicities - A5B51_mC224_12_ac8i_30i72j:Na-Si, expected Na3Si58 to be Na5Si51" +mp-1220793,Na5Si34,-4.8303608372,0.068958124,0.068958124,0.068958124,GGA,R-3m,A5B34_hR117_166_cd_2c3hi:Na-Si,39.0,"Invalid WP multiplicities - A5B34_hR117_166_cd_3c14h8i:Na-Si, expected Na5Si186 to be Na5Si34" +mp-1220969,NaSi68,-5.2437150326,0.1221422331,0.1221422331,0.1221422331,GGA,R3m,AB68_hR207_160_a_8a12b4c:Na-Si,69.0,"Invalid WP multiplicities - AB68_hR207_160_a_8a36b24c:Na-Si, expected NaSi260 to be NaSi68" +mp-1221185,Na7Si51,-4.8591140804,0.071039309,0.071039309,0.071039309,GGA,C2/m,A7B51_mC232_12_e4ij_15i18j:Na-Si,116.0,"Invalid WP multiplicities - A7B51_mC232_12_2e7i3j_30i72j:Na-Si, expected Na5Si58 to be Na7Si51" +mp-1104400,NaSi6,-4.7370813886,0.1021233933,0.1021233933,0.1021233933,GGA,Cmcm,AB6_oC28_63_c_3f:Na-Si,14.0,AB6_oC28_63_c_3f:Na-Si +mp-1268190,NaSi6,-4.4996303143,0.3395744676,0.3395744676,0.3395744676,GGA,P6/m,AB6_hP7_175_a_k:Na-Si,7.0,AB6_hP7_175_a_k:Na-Si +mp-20622,SiPd3,-5.8479927762,-0.6067519112,0.0,-0.0584522845,GGA,Pnma,A3B_oP16_62_cd_c:Pd-Si,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:Pd-Si, expected SiPd5 to be SiPd3" +mp-1219217,SiPd4,-5.491824584,-0.26285553,0.2304081707,0.2304081707,GGA,R-3m,A4B_hR15_166_2c_a:Pd-Si,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Pd-Si, expected SiPd6 to be SiPd4" +mp-1186067,Na3Pd,-2.3033626,-0.0164981774,0.0056851175,-0.0164981774,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Pd,4.0,A3B_tI8_139_ad_b:Na-Pd +mp-1186074,Na3Pd,-2.3090477175,-0.0221832949,0.0,-0.0221832949,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Pd,4.0,A3B_cF16_225_ac_b:Na-Pd +mp-1190256,Pr5Sb3,-5.5727319306,-1.0362903688,0.0,-0.0196033706,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Pr-Sb,16.0,A5B3_hP16_193_dg_g:Pr-Sb +mp-1484,Pr4Sb3,-5.6490681679,-1.1475500621,0.0,-0.0062838161,GGA,I-43d,A4B3_cI28_220_c_a:Pr-Sb,14.0,A4B3_cI28_220_c_a:Pr-Sb +mp-975802,PrSb3,-4.9216233525,-0.6296459838,0.0712546425,0.0712546425,GGA,Pm-3m,AB3_cP4_221_a_c:Pr-Sb,4.0,AB3_cP4_221_a_c:Pr-Sb +mp-1641,CrSb,-6.8893845675000005,0.0016397875,0.0276453437,0.0276453437,GGA,P6_3/mmc,AB_hP4_194_a_c:Cr-Sb,4.0,AB_hP4_194_a_c:Cr-Sb +mp-1102202,PrSb2,-5.2808369133,-0.9345341683,0.0,-0.0803781133,GGA,Cmce,AB2_oC24_64_f_ef:Pr-Sb,12.0,AB2_oC24_64_f_ef:Pr-Sb +mp-1209589,PrCrSb3,-5.9363580935,-0.5721667045000001,0.0,-0.001043981,GGA,Pbcm,ABC3_oP20_57_c_d_c2d:Cr-Pr-Sb,20.0,ABC3_oP20_57_c_d_c2d:Cr-Pr-Sb +mp-22498,CrSb2,-6.0050240583,-0.034674075,0.0,-0.034674075,GGA,Pnnm,AB2_oP6_58_a_g:Cr-Sb,6.0,AB2_oP6_58_a_g:Cr-Sb +mp-2666,CrSb2,-5.9541966633,0.01615332,0.050827395,0.01615332,GGA,I4/mcm,AB2_tI12_140_a_h:Cr-Sb,6.0,AB2_tI12_140_a_h:Cr-Sb +mp-1186706,Pr3Cr,-5.6256680725,0.3732731113,0.3732731113,0.3732731113,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Pr,4.0,AB3_tI8_139_a_bd:Cr-Pr +mp-1186703,Pr3Cr,-5.615947255,0.3829939288,0.3829939288,0.3829939288,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Pr,4.0,AB3_cF16_225_a_bc:Cr-Pr +mp-1644,PrSb,-5.489140575,-1.0341870775,0.247047005,0.0494582165,GGA,P4/mmm,AB_tP2_123_a_d:Pr-Sb,2.0,AB_tP2_123_a_d:Pr-Sb +mp-1785,PrSb,-5.73618758,-1.2812340825,0.0,-0.1975887885,GGA,Fm-3m,AB_cF8_225_a_b:Pr-Sb,2.0,AB_cF8_225_a_b:Pr-Sb +mp-1071848,Pr2Sb,-5.478508865,-0.914904615,0.0062423794,0.0062423794,GGA,I4/mmm,A2B_tI12_139_ce_e:Pr-Sb,6.0,A2B_tI12_139_ce_e:Pr-Sb +mp-1217743,Tb4Co3,-5.8446001738,-0.1499690617,0.0148212377,0.0148212377,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Tb,21.0,A3B4_hP21_147_adg_2g:Co-Tb +mp-1188994,Tb3Co,-5.3947672975,-0.1419132737,0.0,-0.0331542359,GGA,Pnma,AB3_oP16_62_c_cd:Co-Tb,16.0,AB3_oP16_62_c_cd:Co-Tb +mp-1095562,TbCo3,-6.650108935,-0.1602790638,0.0,-0.0089754896,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Tb,12.0,A3B_hR36_166_ach_bc:Co-Tb +mp-570592,Tb4CdCo,-4.6707144688,-0.2426024763,0.0,-0.0412833921,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Co-Tb,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e5f6g:Cd-Co-Tb, expected Tb41(CdCo)2 to be Tb4CdCo" +mp-1200,TbCo5,-6.8004974567000005,-0.1045049442,0.0172317827,0.0172317827,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Tb,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Co-Tb, expected TbCo8 to be TbCo5" +mp-1189067,Tb2Co17,-6.9412389374,-0.0933371103,0.0,-0.0258511887,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Tb,19.0,A17B2_hR57_166_cdfh_c:Co-Tb +mp-1199370,Tb2Co17,-6.9409559063,-0.0930540792,0.0002830311,-0.0255681576,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Tb,38.0,A17B2_hP38_194_fgjk_bc:Co-Tb +mp-1205432,Tb2Co7,-6.6994030128,-0.1408522611,0.006579357,0.006579357,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Tb,18.0,A7B2_hR54_166_a2cdh_2c:Co-Tb +mp-2265,TbCo2,-6.4663247433,-0.1826575133,0.0,-0.0223790145,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Tb,6.0,A2B_cF24_227_c_b:Co-Tb +mp-30967,Tb12Co7,-5.7060984645,-0.1602764768,0.0,-0.0067832613,GGA,P2_1/c,A7B12_mP38_14_a3e_6e:Co-Tb,38.0,"Invalid WP multiplicities - A7B12_mP38_14_a3e_7e:Co-Tb, expected Tb2Co to be Tb12Co7" +mp-1208529,Tb4Co,-4.830753915,0.298402524,0.411933143,0.411933143,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Tb,10.0,AB4_cF40_227_a_e:Co-Tb +mp-1878,HfBe13,-4.3590192171,-0.1754794832,0.0,-0.0206294238,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Hf,28.0,"Invalid WP multiplicities - A13B_cF112_226_b2i_a:Be-Hf, expected HfBe25 to be HfBe13" +mp-2025,HfBe5,-5.0050966,-0.2293877075,0.0,-0.016656266,GGA,P6/mmm,A5B_hP6_191_cg_a:Be-Hf,6.0,A5B_hP6_191_cg_a:Be-Hf +mp-30365,BeAu,-3.6428400963,-0.1361926638,0.0,-0.0172297529,GGA,P2_13,AB_cP8_198_a_a:Au-Be,8.0,AB_cP8_198_a_a:Au-Be +mp-1224390,HfAu9,-4.130761816,-0.188549113,0.00400203,0.00400203,GGA,C2/m,A9B_mC20_12_a4i_d:Au-Hf,10.0,"Invalid WP multiplicities - A9B_mC20_12_a6i_c:Au-Hf, expected HfAu13 to be HfAu9" +mp-1096461,HfBeAu2,-3.050719545,2.0103719288,2.4595085728,2.4595085728,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Be-Hf,4.0,A2BC_oI8_71_e_a_b:Au-Be-Hf +mp-1079296,HfAu3,-5.426086615,-0.4813778575,0.0,-0.0535821793,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Hf,8.0,A3B_oP8_59_ae_b:Au-Hf +mp-1105643,Hf2Be17,-4.6202130316000005,-0.2262974124,0.0019026752,-0.0316663232,GGA,R-3m,A17B2_hR57_166_cdfh_c:Be-Hf,19.0,A17B2_hR57_166_cdfh_c:Be-Hf +mp-1198059,Hf2Be17,-4.6211028295,-0.2271872103,0.0010128773,-0.0325561211,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Be-Hf,38.0,A17B2_hP38_194_fgjk_bc:Be-Hf +mp-1212567,Hf2Be17,-4.6221157068,-0.2282000875,0.0,-0.0335689983,GGA,P6_3/mmc,A17B2_hP114_194_e2fgj4kl_cdef:Be-Hf,114.0,A17B2_hP114_194_e2fgj4kl_cdef:Be-Hf +mp-1018153,HfAu2,-6.0623614467,-0.5607104367,0.0,-0.0428401844,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Hf,3.0,A2B_tI6_139_e_a:Au-Hf +mp-1220,Be5Au,-3.7471765433,-0.0853521558,0.0,-0.0399546012,GGA,F-43m,AB5_cF24_216_a_ce:Au-Be,6.0,"Invalid WP multiplicities - AB5_cF24_216_a_c2e:Au-Be, expected Be9Au to be Be5Au" +mp-1212463,Hf7Au10,-6.5780479891,-0.5522160356,0.0,-8.87515e-05,GGA,Cmce,A10B7_oC68_64_f2g_adef:Au-Hf,34.0,A10B7_oC68_64_f2g_adef:Au-Hf +mp-30383,Hf2Au,-8.1681011067,-0.4386810867,0.0,-0.077033595,GGA,I4/mmm,AB2_tI6_139_a_e:Au-Hf,3.0,AB2_tI6_139_a_e:Au-Hf +mp-1184626,Hf3Be,-8.298541615,0.1042033737,0.173019686,0.173019686,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Hf,4.0,AB3_tI8_139_a_bd:Be-Hf +mp-12664,Be12Au,-3.6286278938,0.0749749046,0.1143682073,0.1143682073,GGA,I4/mmm,AB12_tI26_139_a_fij:Au-Be,13.0,AB12_tI26_139_a_fij:Au-Be +mp-1018057,HfBe,-6.9268534225,-0.078552475,0.0590801495,0.0590801495,GGA,Cmcm,AB_oC8_63_c_c:Be-Hf,4.0,AB_oC8_63_c_c:Be-Hf +mp-12761,BeAu2,-3.5648272433,-0.1357682883,0.0,-0.0449731792,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Be,3.0,A2B_tI6_139_e_a:Au-Be +mp-976725,Hf3Au,-8.4724154975,-0.186053225,0.14295759,0.14295759,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Hf,4.0,AB3_cP4_221_a_c:Au-Hf +mp-1206652,HfAu,-6.090280685,0.5252548300000001,1.0677260675,1.0381703063,GGA,P4/mmm,AB_tP4_123_g_g:Au-Hf,4.0,AB_tP4_123_g_g:Au-Hf +mp-1007755,HfAu,-7.1580067525,-0.5424712375,0.0,-0.0295557612,GGA,P4/nmm,AB_tP4_129_c_c:Au-Hf,4.0,AB_tP4_129_c_c:Au-Hf +mp-2553,HfBe2,-5.9827500367,-0.1707451167,0.0127650493,0.0127650493,GGA,P6/mmm,A2B_hP3_191_c_b:Be-Hf,3.0,A2B_hP3_191_c_b:Be-Hf +mp-983539,BeAu3,-3.3102595925,0.0800051237,0.18183134,0.18183134,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Be,4.0,A3B_cP4_221_c_a:Au-Be +mp-2744,LiPd,-3.98210958,-0.4377072417,0.0,-0.098923052,GGA,P-6m2,AB_hP2_187_a_d:Li-Pd,2.0,AB_hP2_187_a_d:Li-Pd +mp-2743,LiPd,-3.96499777,-0.4205954317,0.01711181,-0.081811242,GGA,Pm-3m,AB_cP2_221_a_b:Li-Pd,2.0,AB_cP2_221_a_b:Li-Pd +mp-976281,Li3Pd,-3.030267465,-0.3036048625,0.0029711416,0.0029711416,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Pd,4.0,A3B_tI8_139_ad_b:Li-Pd +mp-11489,Li3Pd,-3.0328727825,-0.30621018,0.0003658241,0.0003658241,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pd,4.0,A3B_cF16_225_ac_b:Li-Pd +mp-1104675,Tm3Pd4,-5.8595882071,-0.9814405629,0.0,-0.0384469014,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Tm,14.0,A4B3_hR42_148_abf_f:Pd-Tm +mp-975649,LiTm3,-3.6524520525,0.1816552317,0.1816552317,0.1816552317,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Tm,8.0,AB3_hP8_194_c_h:Li-Tm +mp-982,TmPd3,-5.9306988825,-0.9268286692,0.0,-0.3543216742,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Tm,4.0,A3B_cP4_221_c_a:Pd-Tm +mp-348,TmPd,-5.777318275,-0.9494596583,0.0,-0.0906991658,GGA,Pm-3m,AB_cP2_221_a_b:Pd-Tm,2.0,AB_cP2_221_a_b:Pd-Tm +mp-1185283,Li3Tm,-2.3371928063,0.2134581996,0.2134581996,0.2134581996,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Tm,8.0,A3B_hP8_194_h_c:Li-Tm +mp-867364,LiTmPd2,-4.9229868875000005,-0.73685641,0.0151897932,0.0151897932,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Tm +mp-1197547,Li15Pd4,-2.8673120724,-0.2697662703,0.0,-0.0119050661,GGA,I-43d,A15B4_cI76_220_ae_c:Li-Pd,38.0,A15B4_cI76_220_ae_c:Li-Pd +mp-861936,LiPd3,-4.632674385,-0.2705323108,0.0,-0.0035352175,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Pd,4.0,AB3_cP4_221_a_c:Li-Pd +mp-728,Li2Pd,-3.3835279567,-0.3842854422,0.0,-0.0342429083,GGA,P6/mmm,A2B_hP3_191_c_b:Li-Pd,3.0,A2B_hP3_191_c_b:Li-Pd +mp-1079855,LiPd7,-4.9526539613,-0.1816420192,0.0,-0.0463758638,GGA,Fm-3m,AB7_cF32_225_a_bd:Li-Pd,8.0,AB7_cF32_225_a_bd:Li-Pd +mp-20831,Gd4Sb3,-10.9565416436,-1.1434712607,0.0,-0.064601935,GGA,I-43d,A4B3_cI28_220_c_a:Gd-Sb,14.0,A4B3_cI28_220_c_a:Gd-Sb +mp-31379,Zr2Sb,-7.7845701317,-0.7097692983,0.0,-0.0215802788,GGA,I4/mmm,AB2_tI12_139_e_ce:Sb-Zr,6.0,AB2_tI12_139_e_ce:Sb-Zr +mp-979,ZrSb2,-6.2805056583,-0.6786046217,0.0,-0.0568818127,GGA,Pnnm,A2B_oP24_58_4g_2g:Sb-Zr,24.0,A2B_oP24_58_4g_2g:Sb-Zr +mp-542044,Zr11Sb18,-6.5125373084,-0.7074776791,0.0069517859,0.0069517859,GGA,I-42d,A18B11_tI116_122_d4e_a5c:Sb-Zr,58.0,A18B11_tI116_122_d4e_a5c:Sb-Zr +mp-510403,GdSb,-10.36124262,-1.25868088,0.0,-0.2004958361,GGA,Fm-3m,AB_cF8_225_a_b:Gd-Sb,2.0,AB_cF8_225_a_b:Gd-Sb +mp-1188049,ZrSb3,-5.4303262437,-0.1966501563,0.31230331,0.31230331,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sb-Zr,8.0,A3B_hP8_194_h_c:Sb-Zr +mp-1184763,GdZr,-11.19419496,0.117716475,0.117716475,0.117716475,GGA,P-6m2,AB_hP2_187_a_d:Gd-Zr,2.0,AB_hP2_187_a_d:Gd-Zr +mp-570196,Zr5Sb4,-7.3455249006,-0.7616906661,0.0196422619,0.0196422619,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Sb-Zr,18.0,"Invalid WP multiplicities - A4B5_hP18_193_2b2g_3d3g:Sb-Zr, expected Zr15Sb8 to be Zr5Sb4" +mp-505759,Zr5Sb3,-7.6381003484,-0.7474119897,0.0,-0.0016665044,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Zr,32.0,A3B5_oP32_62_cd_3cd:Sb-Zr +mp-2649,Zr5Sb3,-7.6294720231,-0.7387836644,0.0086283253,0.0069618209,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Zr,16.0,A3B5_hP16_193_g_dg:Sb-Zr +mp-32967,Zr7Sb4,-7.6809441377,-0.7400432859,0.0,-0.0028974848,GGA,P2_1/c,A4B7_mP44_14_4e_7e:Sb-Zr,44.0,"Invalid WP multiplicities - A4B7_mP44_14_12e_25e:Sb-Zr, expected Zr25Sb12 to be Zr7Sb4" +mp-1071459,GdZrSb,-9.7990195283,-0.8814114917,0.0,-0.0325233273,GGA,I4/mmm,ABC_tI12_139_e_e_c:Gd-Sb-Zr,6.0,ABC_tI12_139_e_e_c:Gd-Sb-Zr +mp-1212641,Gd3Sb4,-9.3649519243,-0.9728988271,0.1059704986,0.1059704986,GGA,I-43d,A3B4_cI28_220_a_c:Gd-Sb,14.0,A3B4_cI28_220_a_c:Gd-Sb +mp-1105139,Zr3Sb,-7.9886155694,-0.5455897869,0.0,-0.0132628131,GGA,I-4,AB3_tI32_82_g_3g:Sb-Zr,16.0,AB3_tI32_82_g_3g:Sb-Zr +mp-1188056,Zr3Sb,-7.88248321,-0.4394574275,0.1061323594,0.0928695462,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sb-Zr,8.0,AB3_hP8_194_c_h:Sb-Zr +mp-10638,ZrSb,-7.14167447,-0.8033235350000001,0.0051461437,-0.0587217452,GGA,Cmcm,AB_oC24_63_cf_cf:Sb-Zr,12.0,AB_oC24_63_cf_cf:Sb-Zr +mp-569671,ZrSb,-7.1468206138,-0.8084696788,0.0,-0.063867889,GGA,P2_13,AB_cP8_198_a_a:Sb-Zr,8.0,AB_cP8_198_a_a:Sb-Zr +mp-1027,HfRh3,-8.75891596,-0.7463877999999999,0.0,-0.1361721592,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Rh,4.0,AB3_cP4_221_a_c:Hf-Rh +mp-17045,Hf3Rh5,-9.2519617662,-0.9153234612,0.0,-0.1129339113,GGA,Pbam,A3B5_oP16_55_ah_cgh:Hf-Rh,16.0,"Invalid WP multiplicities - A3B5_oP16_55_ah_c2gh:Hf-Rh, expected Hf3Rh7 to be Hf3Rh5" +mp-1190626,Hf2Rh,-9.7069441092,-0.6140487992,0.0,-0.0417879325,GGA,Fd-3m,A2B_cF96_227_cf_e:Hf-Rh,24.0,A2B_cF96_227_cf_e:Hf-Rh +mp-1212367,Hf4Fe,-9.043788993,0.6159664730000001,0.7254550343,0.7254550343,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Hf,10.0,AB4_cF40_227_a_e:Fe-Hf +mp-1184368,FeRh3,-7.6709720825,-0.0302358775,0.0,-0.00831097,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Rh,8.0,AB3_hP8_194_c_h:Fe-Rh +mp-1184364,Fe3Rh,-8.21579834,-0.022205465,0.0,-0.0002805575,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Rh,4.0,A3B_cF16_225_ac_b:Fe-Rh +mp-956096,HfFe2,-9.29759967,-0.3318558533,0.01426974,-0.2406153856,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Hf,12.0,A2B_hP12_194_ah_f:Fe-Hf +mp-1191401,HfFe2,-9.3055334013,-0.3397895846,0.0063360087,-0.2485491169,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Fe-Hf,24.0,A2B_hP24_194_fgh_ef:Fe-Hf +mp-333,HfFe2,-9.31186941,-0.3461255933,0.0,-0.2548851256,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Hf,6.0,A2B_cF24_227_c_b:Fe-Hf +mp-1093826,Hf2FeRh,-5.907381985,3.0297948,3.6064589875,3.6044580222,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Hf-Rh,4.0,AB2C_oI8_71_a_e_b:Fe-Hf-Rh +mp-1184678,Hf2FeRh,-9.5138409725,-0.5766641875,0.0,-0.0020009653,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Hf-Rh,4.0,AB2C_cF16_225_a_c_b:Fe-Hf-Rh +mp-2754,Hf2Fe,-9.6439473587,-0.1824809354,0.0,-0.0094181388,GGA,Fd-3m,AB2_cF96_227_e_cf:Fe-Hf,24.0,AB2_cF96_227_e_cf:Fe-Hf +mp-1224847,FeRh,-7.88612943,0.03103511,0.074884925,0.0572557812,GGA,R-3m,AB_hR6_166_a_b:Fe-Rh,2.0,AB_hR6_166_a_b:Fe-Rh +mp-1918,FeRh,-7.961014355,-0.043849815,0.0,-0.0176291438,GGA,Pm-3m,AB_cP2_221_a_b:Fe-Rh,2.0,AB_cP2_221_a_b:Fe-Rh +mp-11457,HfRh,-9.51913975,-0.8583913,0.0,-0.0721855511,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Rh,2.0,AB_cP2_221_a_b:Hf-Rh +mp-11675,NbTe2,-6.2050781867,-0.7424392444,0.0,-0.0522557651,GGA,C2/m,AB2_mC18_12_ai_3i:Nb-Te,9.0,AB2_mC18_12_ai_3i:Nb-Te +mp-1018150,NbTe2,-6.1690774733,-0.7064385311,0.0360007133,-0.0162550518,GGA,P-3m1,AB2_hP3_164_a_d:Nb-Te,3.0,AB2_hP3_164_a_d:Nb-Te +mp-30797,Nb5Te4,-7.5579862089,-0.5491252341,0.0,-0.0023630078,GGA,I4/m,A5B4_tI18_87_ah_h:Nb-Te,9.0,A5B4_tI18_87_ah_h:Nb-Te +mp-2053,Nb3Sb,-8.93364846,-0.32541937,0.0,-0.1046053744,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Sb,8.0,A3B_cP8_223_c_a:Nb-Sb +mp-1969,NbSb2,-6.518770785,-0.3990016117,0.0,-0.163466683,GGA,C2/m,AB2_mC12_12_i_2i:Nb-Sb,6.0,AB2_mC12_12_i_2i:Nb-Sb +mp-640862,Sb16Te3,-4.0868642074,-0.1134990747,0.0,-0.0089507405,GGA,R-3m,A16B3_hR57_166_8c_ac:Sb-Te,19.0,"Invalid WP multiplicities - A16B3_hR57_166_16c_a2c:Sb-Te, expected Sb32Te5 to be Sb16Te3" +mp-12826,Sb8Te3,-4.0407587227,-0.1805834864,0.0029677368,0.0029677368,GGA,R-3m,A8B3_hR33_166_4c_ac:Sb-Te,11.0,"Invalid WP multiplicities - A8B3_hR33_166_6c_ac:Sb-Te, expected Sb4Te to be Sb8Te3" +mp-673700,Nb2Sb,-8.1405502286,-0.0300131219,0.3241800386,0.3241800386,GGA,P1,A2B_aP21_1_14a_7a:Nb-Sb,21.0,A2B_aP21_1_14a_7a:Nb-Sb +mp-1173086,Nb2Sb,-8.0415695324,0.0689675743,0.4231607348,0.4231607348,GGA,Cm,A2B_mC42_8_14a_7a:Nb-Sb,21.0,A2B_mC42_8_14a_7a:Nb-Sb +mp-1219456,SbTe,-3.585937835,0.0502157317,0.3724118318,0.3724118318,GGA,Cmmm,AB_oC4_65_a_c:Sb-Te,2.0,AB_oC4_65_a_c:Sb-Te +mp-7716,SbTe,-3.949610565,-0.3134569983,0.0087391018,0.0087391018,GGA,P-3m1,AB_hP12_164_c2d_c2d:Sb-Te,12.0,AB_hP12_164_c2d_c2d:Sb-Te +mp-1219463,SbTe,-3.81364226,-0.1774886933,0.1447074068,0.1447074068,GGA,R-3m,AB_hR6_166_a_b:Sb-Te,2.0,AB_hR6_166_a_b:Sb-Te +mp-1219459,SbTe,-3.64975676,-0.0136031933,0.3085929068,0.3085929068,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Te,2.0,AB_cP2_221_a_b:Sb-Te +mp-1219462,SbTe2,-3.8623314467,-0.3904604378,0.0,-0.0711272328,GGA,P-3m1,AB2_hP3_164_a_d:Sb-Te,3.0,AB2_hP3_164_a_d:Sb-Te +mp-570751,Nb3Te,-8.6250807062,-0.2632754529,0.0456074912,0.0456074912,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Te,8.0,A3B_cP8_223_c_a:Nb-Te +mp-274,Nb5Sb4,-7.83950601,-0.3925582144,0.0,-0.032800465,GGA,I4/m,A5B4_tI18_87_ah_h:Nb-Sb,9.0,A5B4_tI18_87_ah_h:Nb-Sb +mp-571224,Nb5Sb4,-7.5785726289,-0.1316248333,0.2609333811,0.2281329161,GGA,I4/m,A5B4_tI18_87_ah_h:Nb-Sb,9.0,"Invalid WP multiplicities - A5B4_tI18_87_a2h_h:Nb-Sb, expected Nb9Sb4 to be Nb5Sb4" +mp-569571,Nb3Sb2Te5,-6.0727317595,-0.6448870528,0.0,-0.0207967801,GGA,I-43m,A3B2C5_cI40_217_e_c_cd:Nb-Sb-Te,20.0,"Invalid WP multiplicities - A3B2C5_cI40_217_e_c_3c3d:Nb-Sb-Te, expected Nb3Sb2Te15 to be Nb3Sb2Te5" +mp-1078331,Sb2Te3,-3.865419564,-0.327835532,0.055364314,0.03182353,GGA,C2/m,A2B3_mC20_12_2i_3i:Sb-Te,10.0,A2B3_mC20_12_2i_3i:Sb-Te +mp-1079094,Sb2Te3,-3.454059178,0.083524854,0.4667247,0.443183916,GGA,C2/m,A2B3_mC20_12_2i_3i:Sb-Te,10.0,A2B3_mC20_12_2i_3i:Sb-Te +mp-1078904,Sb2Te3,-3.788480725,-0.250896693,0.132303153,0.108762369,GGA,C2/c,A2B3_mC20_15_f_ef:Sb-Te,10.0,A2B3_mC20_15_f_ef:Sb-Te +mp-1080789,Sb2Te3,-3.792663734,-0.255079702,0.128120144,0.10457936,GGA,Immm,A2B3_oI20_71_2e_ac2f:Sb-Te,10.0,A2B3_oI20_71_2e_ac2f:Sb-Te +mp-1201,Sb2Te3,-3.920783878,-0.383199846,0.0,-0.023540784,GGA,R-3m,A2B3_hR15_166_c_ac:Sb-Te,5.0,A2B3_hR15_166_c_ac:Sb-Te +mp-1172848,Sb2Te3,-3.53652246,0.001061572,0.384261418,0.360720634,GGA,P6/mmm,A2B3_hP5_191_e_ae:Sb-Te,5.0,A2B3_hP5_191_e_ae:Sb-Te +mp-1173644,Nb7Te6,-7.4567101387,-0.5667893202000001,0.0030471331,0.0030471331,GGA,P-1,A7B6_aP52_2_14i_12i:Nb-Te,52.0,"Invalid WP multiplicities - A7B6_aP52_2_27i_24i:Nb-Te, expected Nb9Te8 to be Nb7Te6" +mp-20196,NbTe4,-5.191766648,-0.6568609253000001,0.0154074177,-0.2113973787,GGA,P4/mcc,AB4_tP10_124_a_m:Nb-Te,10.0,AB4_tP10_124_a_m:Nb-Te +mp-650328,NbTe4,-5.2036390938,-0.6687333712,0.0035349719,-0.2232698245,GGA,P4/ncc,AB4_tP60_130_3c_3g:Nb-Te,60.0,"Invalid WP multiplicities - AB4_tP60_130_10c_34g:Nb-Te, expected Nb5Te68 to be NbTe4" +mp-568220,NbTe4,-5.2071740657,-0.6722683431,0.0,-0.2268047964,GGA,P4/ncc,AB4_tP120_130_a3ce_6g:Nb-Te,120.0,"Invalid WP multiplicities - AB4_tP120_130_3a10c6e_83g:Nb-Te, expected Nb25Te332 to be NbTe4" +mp-1219477,Sb2Te,-3.9269634483,-0.1265273239,0.0939958664,0.0939958664,GGA,I4_1/amd,A2B_tI12_141_c_b:Sb-Te,6.0,A2B_tI12_141_c_b:Sb-Te +mp-6997,Sb2Te,-4.0045377356,-0.2041016111,0.0164215792,0.0164215792,GGA,P-3m1,A2B_hP9_164_c2d_ad:Sb-Te,9.0,"Invalid WP multiplicities - A2B_hP9_164_c3d_ad:Sb-Te, expected Sb8Te3 to be Sb2Te" +mp-982779,NbTe,-6.968745015,-0.3464395483,0.2699971481,0.2699971481,GGA,P-6m2,AB_hP2_187_a_d:Nb-Te,2.0,AB_hP2_187_a_d:Nb-Te +mp-1207123,NbSb,-7.3560304875,-0.2408773475,0.1532917163,0.1532917163,GGA,P6_3/mmc,AB_hP4_194_a_c:Nb-Sb,4.0,AB_hP4_194_a_c:Nb-Sb +mp-7564,Nb3Te4,-6.8282855329,-0.7029800052,0.0,-0.0420925113,GGA,P6_3/m,A3B4_hP14_176_h_ch:Nb-Te,14.0,A3B4_hP14_176_h_ch:Nb-Te +mp-1104504,Nb3Te4,-6.5342615971,-0.4089560695,0.2940239357,0.2519314244,GGA,P6_3/m,A3B4_hP14_176_h_ch:Nb-Te,14.0,A3B4_hP14_176_h_ch:Nb-Te +mp-866071,MgTaOs2,-9.163155655,-0.18495752,0.0,-0.0399217214,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Mg-Os-Ta +mp-978290,Mg3Os,-3.84479253,0.162259365,0.1774167656,0.1774167656,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Os,4.0,A3B_tI8_139_ad_b:Mg-Os +mp-1185785,Mg3Os,-3.8343408863,0.1727110087,0.1878684093,0.1878684093,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Os,8.0,A3B_hP8_194_h_c:Mg-Os +mp-1217906,TaOs3,-11.3604565825,0.0245133975,0.16671376,0.1615751754,GGA,P-6m2,A3B_hP4_187_ah_b:Os-Ta,4.0,A3B_hP4_187_ah_b:Os-Ta +mp-1187248,TaOs3,-11.4990161725,-0.1140461925,0.02815417,0.0230155854,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Ta,8.0,A3B_hP8_194_h_c:Os-Ta +mp-1187243,TaOs3,-11.5271703425,-0.1422003625,0.0,-0.0051385846,GGA,Pm-3m,A3B_cP4_221_c_a:Os-Ta,4.0,A3B_cP4_221_c_a:Os-Ta +mp-1185640,Mg149Ta,-1.6820868558000002,-0.0134234886,0.0,-0.0134234886,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Ta,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l6m16n8o_d:Mg-Ta, expected Mg321Ta to be Mg149Ta" +mp-978304,Mg3Ta,-3.8110744275,0.3535800175,0.3637152018,0.3637152018,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Ta,4.0,A3B_cP4_221_c_a:Mg-Ta +mp-1185910,MgOs3,-8.42400008,0.396595505,0.4016479719,0.4016479719,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Os,8.0,AB3_hP8_194_c_h:Mg-Os +mp-1185983,MgTa3,-8.9863533525,0.3070498825,0.3104282773,0.3104282773,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Ta,4.0,AB3_tI8_139_a_bd:Mg-Ta +mp-1185998,MgTa3,-8.99641084,0.296992395,0.3003707898,0.3003707898,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Ta,8.0,AB3_hP8_194_c_h:Mg-Ta +mp-1185977,MgTa3,-8.9863781625,0.3070250725,0.3104034673,0.3104034673,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Ta,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Ta, expected MgTa5 to be MgTa3" +mp-978258,MgTa,-6.3998494975,0.3291793425,0.3359361321,0.3359361321,GGA,Pmma,AB_oP4_51_e_f:Mg-Ta,4.0,AB_oP4_51_e_f:Mg-Ta +mp-1185600,Mg149Os,-1.6845357675,-0.020075135,0.0,-0.020075135,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Os,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Os, expected Mg315Os to be Mg149Os" +mp-1185911,MgOs,-6.13465146,0.27917228,0.2892772137,0.2892772137,GGA,Pmma,AB_oP4_51_e_f:Mg-Os,4.0,AB_oP4_51_e_f:Mg-Os +mp-1218177,Ta3Os2,-11.934561817,-0.328948267,0.0,-0.1016650098,GGA,Cmm2,A2B3_oC60_35_abd2f_2d3e2f:Os-Ta,30.0,"Invalid WP multiplicities - A2B3_oC60_35_abd4f_2d3e4f:Os-Ta, expected Ta13Os10 to be Ta3Os2" +mp-1187197,Ta3Os,-11.963922435,-0.263747355,0.0,-0.0581546881,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Ta,4.0,AB3_cF16_225_a_bc:Os-Ta +mp-1018151,NbPd2,-7.2451194467,-0.4247632267,0.0,-0.03787466,GGA,Immm,AB2_oI6_71_a_e:Nb-Pd,3.0,AB2_oI6_71_a_e:Nb-Pd +mp-669692,NbPd3,-6.8358276458,-0.4255900283,0.0,-0.1070176083,GGA,Pmmn,AB3_oP24_59_ae_befg:Nb-Pd,24.0,"Invalid WP multiplicities - AB3_oP24_59_2a2e_2b4e3f5g:Nb-Pd, expected NbPd6 to be NbPd3" +mp-1135,NbPd3,-6.8332610575,-0.42302344,0.0025665883,-0.10445102,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Pd,4.0,AB3_tI8_139_a_bd:Nb-Pd +mp-1220332,NbPd,-7.76618236,-0.125588935,0.2028340383,0.2028340383,GGA,R-3m,AB_hR6_166_a_b:Nb-Pd,2.0,AB_hR6_166_a_b:Nb-Pd +mp-1220368,NbPd4,-6.329198934,-0.165032478,0.1754395447,0.1754395447,GGA,R-3m,AB4_hR15_166_a_2c:Nb-Pd,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Nb-Pd, expected NbPd6 to be NbPd4" +mp-1220417,Nb6PdRh,-9.3410199313,-0.1970174413,0.01737946,0.01737946,GGA,Pm-3,A6BC_cP8_200_f_a_b:Nb-Pd-Rh,8.0,A6BC_cP8_200_f_a_b:Nb-Pd-Rh +mp-1220441,Nb4Rh,-9.677574388,-0.123668782,0.080116628,0.080116628,GGA,Fmmm,A4B_oF20_69_2g_a:Nb-Rh,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Nb-Rh, expected Nb6Rh to be Nb4Rh" +mp-1220678,Nb2Pd,-8.69291335,-0.23208272,0.0,-0.0197011067,GGA,Fmmm,A2B_oF12_69_g_a:Nb-Pd,3.0,A2B_oF12_69_g_a:Nb-Pd +mp-567345,NbRh,-9.1185117383,-0.3857052833,0.0156117867,-0.0041572177,GGA,P2/m,AB_mP6_10_am_en:Nb-Rh,6.0,"Invalid WP multiplicities - AB_mP6_10_c2m_en:Nb-Rh, expected Nb5Rh3 to be NbRh" +mp-11515,NbRh,-9.1107731575,-0.3779667025,0.0233503675,0.0035813631,GGA,Pmma,AB_oP4_51_e_f:Nb-Rh,4.0,AB_oP4_51_e_f:Nb-Rh +mp-1102348,NbRh,-9.1279003092,-0.3950938542,0.0062232158,-0.0135457885,GGA,Pmma,AB_oP12_51_ei_fj:Nb-Rh,12.0,AB_oP12_51_ei_fj:Nb-Rh +mp-1963,NbRh,-9.134123525,-0.40131707,0.0,-0.0197690044,GGA,P4/mmm,AB_tP2_123_a_d:Nb-Rh,2.0,AB_tP2_123_a_d:Nb-Rh +mp-1219925,PdRh,-6.17944551,0.09264933,0.09264933,0.09264933,GGA,R-3m,AB_hR6_166_a_b:Pd-Rh,2.0,AB_hR6_166_a_b:Pd-Rh +mp-1186230,NbRh3,-8.5431745825,-0.49461742,0.0137469487,-0.2183079863,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Rh,8.0,AB3_hP8_194_c_h:Nb-Rh +mp-1191559,NbRh3,-8.5569215312,-0.5083643688,0.0,-0.232054935,GGA,P6_3/mmc,AB3_hP24_194_bf_hk:Nb-Rh,24.0,AB3_hP24_194_bf_hk:Nb-Rh +mp-2449,NbRh3,-8.5485088625,-0.4999517,0.0084126687,-0.2236422662,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Rh,4.0,AB3_cP4_221_a_c:Nb-Rh +mp-1220635,Nb3Pd,-9.026734375,-0.1557851425,0.0182768975,0.0182768975,GGA,Cmmm,A3B_oC8_65_bk_c:Nb-Pd,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Nb-Pd, expected Nb5Pd to be Nb3Pd" +mp-1186442,Pd3Rh,-5.6585266975,0.0674616275,0.0674616275,0.0674616275,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Rh,4.0,A3B_tI8_139_ad_b:Pd-Rh +mp-1545,Nb3Rh,-9.67178751,-0.2547317625,0.0,-0.0540732275,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Rh,8.0,A3B_cP8_223_c_a:Nb-Rh +mp-1220414,NbRh2,-8.6450528383,-0.3684125783,0.1042693575,0.1042693575,GGA,Pm,AB2_mP6_6_2a_a3b:Nb-Rh,6.0,AB2_mP6_6_2a_a3b:Nb-Rh +mp-1220379,NbRh2,-8.6142450733,-0.3376048133,0.1350771225,0.1350771225,GGA,P2/m,AB2_mP6_10_m_aen:Nb-Rh,6.0,AB2_mP6_10_m_cen:Nb-Rh +mp-1220401,Nb4Pd,-9.233733012,-0.116712618,0.022537014,0.022537014,GGA,Fmmm,A4B_oF20_69_2g_a:Nb-Pd,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Nb-Pd, expected Nb6Pd to be Nb4Pd" +mp-1211578,LaIn2Cl5,-4.4648682056,-2.0046109725,0.0,-0.0106809717,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-In-La,32.0,A5B2C_oP32_62_3cd_d_c:Cl-In-La +mp-1185116,La3Cl,-4.539611605,-0.3754721113,0.5802721838,0.5802721838,GGA,I4/mmm,AB3_tI8_139_a_bd:Cl-La,4.0,AB3_tI8_139_a_bd:Cl-La +mp-1185003,La3Cl,-4.535369755,-0.3712302613,0.5845140337,0.5845140337,GGA,Pm-3m,AB3_cP4_221_a_c:Cl-La,4.0,AB3_cP4_221_a_c:Cl-La +mp-571636,InCl,-3.4190914325,-1.1189812375,0.0016458791,-0.0163566515,GGA,Cmc2_1,AB_oC8_36_a_a:Cl-In,4.0,AB_oC8_63_c_c:Cl-In +mp-571555,InCl,-3.4192492175,-1.1191390225,0.0014880941,-0.0165144365,GGA,Cmcm,AB_oC8_63_c_c:Cl-In,4.0,AB_oC8_63_c_c:Cl-In +mp-23276,InCl,-3.4207373116,-1.1206271166,0.0,-0.0180025306,GGA,P2_13,AB_cP64_198_2a2b_2a2b:Cl-In,64.0,AB_cP64_198_2a2b_2a2b:Cl-In +mp-20582,LaIn,-4.348811695,-0.5049662775,0.0,-0.0763775125,GGA,Pm-3m,AB_cP2_221_a_b:In-La,2.0,AB_cP2_221_a_b:In-La +mp-20729,LaIn3,-3.773728055,-0.4759634812,0.0,-0.0987885825,GGA,Pm-3m,A3B_cP4_221_c_a:In-La,4.0,A3B_cP4_221_c_a:In-La +mp-22282,LaIn2,-3.9826913867,-0.5028998650000001,0.0,-0.017268785,GGA,Imma,A2B_oI12_74_h_e:In-La,6.0,A2B_oI12_74_h_e:In-La +mp-20909,La3In,-4.684626955,-0.2947006937,0.0,-0.028992445,GGA,Pm-3m,AB3_cP4_221_a_c:In-La,4.0,AB3_cP4_221_a_c:In-La +mp-22896,LaCl3,-5.4876371562,-2.867232885,0.0,-1.9700819413,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-La,8.0,A3B_hP8_176_h_c:Cl-La +mp-862983,InCl3,-3.5159183675,-1.44159494,0.0,-0.3760831744,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-In,8.0,A3B_hP8_194_h_c:Cl-In +mp-1212122,InCl2,-3.5702680375,-1.4206823542,0.0,-0.0451122839,GGA,Pnna,A2B_oP24_52_2e_cd:Cl-In,24.0,A2B_oP24_52_2e_cd:Cl-In +mp-20760,La2In,-4.5621769783,-0.354277665,0.0105115567,0.0105115567,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-La,6.0,AB2_hP6_194_c_ad:In-La +mp-667324,In2Cl3,-3.5117979708,-1.3020024828,0.0033328666,0.0033328666,GGA,Pnma,A3B2_oP160_62_6c9d_2c7d:Cl-In,160.0,"Invalid WP multiplicities - A3B2_oP160_62_24c65d_8c49d:Cl-In, expected In53Cl77 to be In2Cl3" +mp-1184519,In3Cl,-2.8741747775,-0.348277815,0.2120357433,0.2120357433,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-In,8.0,AB3_hP8_194_c_h:Cl-In +mp-28112,In5Cl9,-3.5277950068,-1.3567058218,0.0227811735,0.0227811735,GGA,R-3c,A9B5_hR84_167_ef_ce:Cl-In,28.0,"Invalid WP multiplicities - A9B5_hR84_167_e2f_ce:Cl-In, expected InCl3 to be In5Cl9" +mp-28730,In7Cl9,-3.4841161623,-1.2404526592,0.0,-0.0064659388,GGA,Pa-3,A9B7_cP64_205_acd_bd:Cl-In,64.0,"Invalid WP multiplicities - A9B7_cP64_205_a3c3d_bd:Cl-In, expected In7Cl25 to be In7Cl9" +mp-27929,LaCl,-5.18657377,-1.7943018875,0.1171867025,0.1171867025,GGA,R-3m,AB_hR12_166_c_c:Cl-La,4.0,AB_hR12_166_c_c:Cl-La +mp-1102427,PrMn2,-7.48918332,0.2124621264,0.2124621264,0.2124621264,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Pr,12.0,A2B_hP12_194_ah_f:Mn-Pr +mp-20023,PrIn,-4.253895195,-0.4876004525,0.0,-0.0499432607,GGA,Pm-3m,AB_cP2_221_a_b:In-Pr,2.0,AB_cP2_221_a_b:In-Pr +mp-1189599,Pr3In5,-4.0269948312,-0.5143528419,0.0,-0.0376421438,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Pr,16.0,A5B3_oC32_63_cfg_ce:In-Pr +mp-20903,PrIn3,-3.72481018,-0.4658209438,0.0,-0.1229190492,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pr,4.0,A3B_cP4_221_c_a:In-Pr +mp-1186754,Pr3In,-4.5324815675,-0.2588813187,0.01434553,-0.007334075,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Pr,8.0,AB3_hP8_194_c_h:In-Pr +mp-19764,Pr3In,-4.5468270975,-0.2732268487,0.0,-0.021679605,GGA,Pm-3m,AB3_cP4_221_a_c:In-Pr,4.0,AB3_cP4_221_a_c:In-Pr +mp-1194037,Pr6Mn23,-8.0290096083,0.2265692278,0.2265692278,0.2265692278,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Pr,29.0,A23B6_cF116_225_ad2f_e:Mn-Pr +mp-19854,Pr2In,-4.4398947383,-0.335396325,0.0092883917,0.0092883917,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Pr,6.0,AB2_hP6_194_c_ad:In-Pr +mp-1225318,Mn3In,-7.3383715412,0.2210608604,0.2210608604,0.2210608604,GGA,R3m,AB3_hR156_160_a2bc_3a10bc:In-Mn,52.0,"Invalid WP multiplicities - AB3_hR156_160_a4b3c_3a12b3c:In-Mn, expected Mn57In31 to be Mn3In" +mp-1186012,MnIn3,-4.1158696175,0.238397003,0.238397003,0.238397003,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Mn,4.0,A3B_tI8_139_ad_b:In-Mn +mp-1219898,PrMnIn,-5.6344713267,-0.0696030676,0.2554639007,0.2554639007,GGA,P-6m2,ABC_hP3_187_a_c_f:In-Mn-Pr,3.0,ABC_hP3_187_a_c_f:In-Mn-Pr +mp-11527,Tm2Ni17,-5.8527596697,-0.2099178589,0.0044559513,0.0044559513,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Tm,38.0,A17B2_hP38_194_fgjk_bc:Ni-Tm +mp-1102316,TmOs2,-9.3432201292,-0.3663633681,0.0,-0.2275469492,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Tm,12.0,A2B_hP12_194_ah_f:Os-Tm +mp-865368,Tm2NiOs,-6.8766216925,-0.3868279533,0.0361682548,0.0361682548,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Ni-Os-Tm +mp-1576,TmNi2,-5.8427896083,-0.4974200139,0.0,-0.0318257178,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Tm,6.0,A2B_cF24_227_c_b:Ni-Tm +mp-1187673,TmOs3,-9.2304803475,0.3090040808,0.5837766069,0.5837766069,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Tm,8.0,A3B_hP8_194_h_c:Os-Tm +mp-1207975,Tm3Os,-6.4760553675,-0.3123369425,0.0,-0.1749506795,GGA,Pnma,AB3_oP16_62_c_cd:Os-Tm,16.0,AB3_oP16_62_c_cd:Os-Tm +mp-11526,TmNi5,-5.9021783367000005,-0.3394251994,0.0,-0.028599678,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Tm,6.0,A5B_hP6_191_cg_a:Ni-Tm +mp-11525,TmNi,-5.62922567,-0.5012396183,0.0,-0.092723008,GGA,Pnma,AB_oP8_62_c_c:Ni-Tm,8.0,AB_oP8_62_c_c:Ni-Tm +mp-1209640,Tm4Ni,-4.492394801,0.2443008737,0.4644300777,0.4644300777,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Tm,10.0,AB4_cF40_227_a_e:Ni-Tm +mp-1102684,TmNi3,-5.9018330008,-0.447771635,0.0,-0.0293490283,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Tm,12.0,A3B_hR36_166_ach_bc:Ni-Tm +mp-1208031,Tm3Ni,-5.0770722425,-0.275161505,0.0,-0.0245416958,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Tm,16.0,AB3_oP16_62_c_cd:Ni-Tm +mp-11375,EuHg,-5.834447345,-0.5541062625000001,0.0,-0.2048991125,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Hg,2.0,AB_cP2_221_a_b:Eu-Hg +mp-1080132,EuHg3,-3.2166771688,-0.424666445,0.0,-0.075459295,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Hg,8.0,AB3_hP8_194_c_h:Eu-Hg +mp-1183650,CdHg3,-0.419526225,0.0389564888,0.0389564888,0.0389564888,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Hg,4.0,AB3_tI8_139_a_bd:Cd-Hg +mp-1183652,CdHg3,-0.422735485,0.0357472288,0.0357472288,0.0357472288,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Hg,8.0,AB3_hP8_194_c_h:Cd-Hg +mp-1183639,CdHg3,-0.4163502025,0.0421325113,0.0421325113,0.0421325113,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Hg,4.0,AB3_cF16_225_a_bc:Cd-Hg +mp-864634,EuCd3,-3.531807145,-0.275389375,0.0,-0.0078331603,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Eu,4.0,A3B_cF16_225_ac_b:Cd-Eu +mp-864796,EuCdHg2,-3.3474054825,-0.40059241,0.0,-0.0256849883,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Eu-Hg,4.0,ABC2_cF16_225_a_b_c:Cd-Eu-Hg +mp-20719,EuHg2,-4.08706371,-0.4656095333,0.0022035175,0.0022035175,GGA,P6/mmm,AB2_hP3_191_a_d:Eu-Hg,3.0,AB2_hP3_191_a_d:Eu-Hg +mp-1226878,Cd3Hg,-0.7274524925,0.0406349188,0.0406349188,0.0406349188,GGA,P-6m2,A3B_hP4_187_ah_b:Cd-Hg,4.0,A3B_hP4_187_ah_b:Cd-Hg +mp-1183661,Cd3Hg,-0.7475678475,0.0205195637,0.0205195637,0.0205195637,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Hg,8.0,A3B_hP8_194_h_c:Cd-Hg +mp-11299,Cd2Hg,-0.7014352567000001,0.0150513717,0.0150513717,0.0150513717,GGA,I4/mmm,A2B_tI6_139_e_a:Cd-Hg,3.0,A2B_tI6_139_e_a:Cd-Hg +mp-583684,EuCd11,-1.8193170875,-0.1185846575,0.0,-0.0267881992,GGA,I4_1/amd,A11B_tI48_141_aci_b:Cd-Eu,24.0,"Invalid WP multiplicities - A11B_tI48_141_2a3c4i_b:Cd-Eu, expected EuCd40 to be EuCd11" +mp-30487,EuCd2,-4.3763024333,-0.3420419933,0.0,-0.04084189,GGA,Imma,A2B_oI12_74_h_e:Cd-Eu,6.0,A2B_oI12_74_h_e:Cd-Eu +mp-30488,CdHg2,-0.48323438,0.0268491167,0.0268491167,0.0268491167,GGA,I4/mmm,AB2_tI6_139_a_e:Cd-Hg,3.0,AB2_tI6_139_a_e:Cd-Hg +mp-1226757,CdHg2,-0.4628691467,0.04721435,0.04721435,0.04721435,GGA,Fmmm,AB2_oF12_69_a_g:Cd-Hg,3.0,AB2_oF12_69_a_g:Cd-Hg +mp-1183915,Eu2CdHg,-5.8888317425,-0.4536883112,0.0,-0.0002243999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Hg,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Hg +mp-580236,EuCd,-5.94276734,-0.35282156,0.0,-0.096290065,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Eu,2.0,AB_cP2_221_a_b:Cd-Eu +mp-861954,LiTaRu2,-8.281778665000001,-0.2029022708,0.0,-0.0189632933,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Li-Ru-Ta +mp-30353,AgPt3,-5.22679998,0.0346890108,0.0713885042,0.0713885042,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Pt,4.0,AB3_cP4_221_a_c:Ag-Pt +mp-12651,MgPt,-4.5472946825000005,-0.7115879975,0.0,-0.0554424875,GGA,P2_13,AB_cP8_198_a_a:Mg-Pt,8.0,AB_cP8_198_a_a:Mg-Pt +mp-1206346,MgPt7,-5.809392085,-0.2971154237,0.0,-0.0082030088,GGA,Fm-3m,AB7_cF32_225_a_bd:Mg-Pt,8.0,AB7_cF32_225_a_bd:Mg-Pt +mp-1210857,Mg26Ag7,-1.9763353562,-0.1146634373,0.0081113947,0.0081113947,GGA,Fm-3,A7B26_cF264_202_abh_cefhi:Ag-Mg,66.0,A7B26_cF264_202_abh_cefhi:Ag-Mg +mp-1185809,Mg5Ag,-1.865291125,-0.0596317494,0.0423888326,0.0423888326,GGA,Cm,AB5_mC12_8_a_5a:Ag-Mg,6.0,AB5_mC12_8_a_5a:Ag-Mg +mp-1185802,Mg5Ag,-1.8912777867,-0.0856184111,0.0164021709,0.0164021709,GGA,Amm2,AB5_oC12_38_a_2a3b:Ag-Mg,6.0,AB5_oC12_38_a_2a3b:Ag-Mg +mp-1185807,Mg5Ag,-1.876378715,-0.0707193394,0.0313012426,0.0313012426,GGA,R32,AB5_hR18_155_a_ce:Ag-Mg,6.0,AB5_hR18_155_a_ce:Ag-Mg +mp-1185801,Mg5Ag,-1.878764635,-0.0731052594,0.0289153226,0.0289153226,GGA,P-62m,AB5_hP6_189_a_cg:Ag-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2cg:Ag-Mg, expected Mg7Ag to be Mg5Ag" +mp-864952,Mg3Ag,-2.0271241637,-0.1187751254,0.0211524607,0.0211524607,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Mg,8.0,AB3_hP8_194_c_h:Ag-Mg +mp-1185840,MgAg2,-2.5958905317000003,-0.1740931794,0.0173658575,0.0173658575,GGA,C2/m,A2B_mC12_12_2i_i:Ag-Mg,6.0,A2B_mC12_12_2i_i:Ag-Mg +mp-1185842,MgAg2,-2.5955279117,-0.1737305594,0.0177284775,0.0177284775,GGA,C2/c,A2B_mC12_15_f_e:Ag-Mg,6.0,A2B_mC12_15_f_e:Ag-Mg +mp-1185822,MgAg2,-2.601628555,-0.1798312028,0.0116278342,0.0116278342,GGA,Cmcm,A2B_oC12_63_g_c:Ag-Mg,6.0,A2B_oC12_63_g_c:Ag-Mg +mp-1185823,MgAg2,-2.5835946783,-0.1617973261,0.0296617108,0.0296617108,GGA,Cmcm,A2B_oC12_63_2c_c:Ag-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Ag-Mg, expected MgAg4 to be MgAg2" +mp-1094121,MgAg2,-2.5033693325,-0.0815719803,0.1098870567,0.1098870567,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ag-Mg,12.0,A2B_hP12_194_ah_f:Ag-Mg +mp-864932,Mg2AgPt,-3.6021931425,-0.5761307867000001,0.0,-0.0448613142,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Pt +mp-977056,MgPt5,-5.65346397,-0.3274728617,0.0632123642,0.0632123642,GGA,Cm,AB5_mC12_8_a_5a:Mg-Pt,6.0,AB5_mC12_8_a_5a:Mg-Pt +mp-1185945,MgPt5,-5.5843633033,-0.258372195,0.1323130308,0.1323130308,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Pt,6.0,AB5_oC12_38_a_2a3b:Mg-Pt +mp-1185952,MgPt5,-5.6429071,-0.3169159917,0.0737692342,0.0737692342,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Pt,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2c2g:Mg-Pt, expected MgPt10 to be MgPt5" +mp-1185946,MgPt2,-5.150415295,-0.5695663983,0.0528461542,0.0528461542,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Pt,6.0,AB2_mC12_12_i_2i:Mg-Pt +mp-1185948,MgPt2,-5.1639330467,-0.58308415,0.0393284025,0.0393284025,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Pt,6.0,AB2_hP6_189_c_ag:Mg-Pt +mp-678,Mg54Ag17,-2.0305789085,-0.1352468696,0.0,-0.0016579538,GGA,Immm,A17B54_oI142_71_afhlmn_egi2l2m2n3o:Ag-Mg,71.0,"Invalid WP multiplicities - A17B54_oI142_71_afhlmn_egi2l2m3n3o:Ag-Mg, expected Mg58Ag17 to be Mg54Ag17" +mp-30777,MgPt3,-5.5312448325,-0.5778248300000001,0.0,-0.1091281705,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Pt,4.0,AB3_cP4_221_a_c:Mg-Pt +mp-12065,Ag3Pt,-3.6295172875,0.012683045,0.0303001517,0.0303001517,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Pt,4.0,A3B_cP4_221_c_a:Ag-Pt +mp-1185568,Mg149Pt,-1.6669349221,-0.0368491837,0.0,-0.0212650356,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Pt,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Pt, expected Mg315Pt to be Mg149Pt" +mp-1185836,MgAg3,-2.6846994125,-0.1602123975,0.0016238862,-0.01733587,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Mg,4.0,A3B_tI8_139_ad_b:Ag-Mg +mp-1222022,MgAg3,-2.579376695,-0.05488968,0.1069466037,0.0879868475,GGA,R-3m,A3B_hR12_166_ac_b:Ag-Mg,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ag-Mg, expected MgAg5 to be MgAg3" +mp-864934,MgAg3,-2.6863232988,-0.1618362838,0.0,-0.0189597562,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Mg,8.0,A3B_hP8_194_h_c:Ag-Mg +mp-30351,MgAg3,-2.6861073425,-0.1616203275,0.0002159562,-0.0187437999999999,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Mg,4.0,A3B_cP4_221_c_a:Ag-Mg +mp-1229032,AgPt4,-5.460410406,-0.0369925493,0.0,-0.022898864,GGA,R-3m,AB4_hR15_166_a_2c:Ag-Pt,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ag-Pt, expected AgPt6 to be AgPt4" +mp-1185839,MgAg5,-2.73097169,-0.1037950122,0.0040958436,0.0040958436,GGA,R32,A5B_hR18_155_cd_b:Ag-Mg,6.0,A5B_hR18_155_cd_b:Ag-Mg +mp-1185833,MgAg5,-2.73309853,-0.1059218522,0.0019690036,0.0019690036,GGA,P-62m,A5B_hP6_189_cg_a:Ag-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:Ag-Mg, expected MgAg7 to be MgAg5" +mp-18707,Mg3Pt,-3.3023989183,-0.5844055508,0.0,-0.0473498544,GGA,P6_3cm,A3B_hP24_185_ab2c_c:Mg-Pt,24.0,A3B_hP24_185_ab2c_c:Mg-Pt +mp-569265,Mg3Pt,-3.2924146325,-0.574421265,0.0099842858,-0.0373655686,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Mg-Pt,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:Mg-Pt, expected Mg5Pt to be Mg3Pt" +mp-1222034,MgAg4,-2.626954688,-0.0408538753,0.0886151517,0.0886151517,GGA,R-3m,A4B_hR15_166_2c_a:Ag-Mg,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ag-Mg, expected MgAg6 to be MgAg4" +mp-1185838,Mg5Pt,-2.65030204,-0.3048797783,0.0920064687,0.0920064687,GGA,C2/m,A5B_mC12_12_a2i_c:Mg-Pt,6.0,"Invalid WP multiplicities - A5B_mC12_12_a3i_d:Mg-Pt, expected Mg7Pt to be Mg5Pt" +mp-1185591,Mg149Ag,-1.6374608449,-0.0289656219,0.0,-0.0251999248,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ag-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l5m16n8o:Ag-Mg, expected Mg309Ag to be Mg149Ag" +mp-2696,MgAg,-2.46712257,-0.2507045433,0.0,-0.0797385408,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Mg,2.0,AB_cP2_221_a_b:Ag-Mg +mp-1185756,Mg2Ag,-2.1617754567,-0.1507367556,0.026116483,0.026116483,GGA,C2/m,AB2_mC12_12_i_2i:Ag-Mg,6.0,AB2_mC12_12_i_2i:Ag-Mg +mp-1185754,Mg2Ag,-2.1731395033,-0.1621008022,0.0147524363,0.0147524363,GGA,Cmcm,AB2_oC12_63_c_g:Ag-Mg,6.0,AB2_oC12_63_c_g:Ag-Mg +mp-1229015,AgPt,-4.487078875,-0.0352342133,0.0,-0.01211387,GGA,R-3m,AB_hR6_166_a_b:Ag-Pt,2.0,AB_hR6_166_a_b:Ag-Pt +mp-1183209,AgPt,-4.474371635,-0.0225269733,0.01270724,0.00059337,GGA,P-6m2,AB_hP2_187_a_d:Ag-Pt,2.0,AB_hP2_187_a_d:Ag-Pt +mp-13208,Mg2Pt,-3.79892377,-0.7083592967,0.0,-0.0815595969,GGA,I4/mcm,A2B_tI12_140_h_a:Mg-Pt,6.0,A2B_tI12_140_h_a:Mg-Pt +mp-1186580,PmHg3,-1.78550268,-0.3701068256,0.0,-0.3180318608,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Pm,4.0,A3B_cF16_225_ac_b:Hg-Pm +mp-862883,CaPmHg2,-2.38727408,-0.5463983469,0.0,-0.1387531481,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Pm +mp-12541,Ca4Hg9,-1.2280622479,-0.4007143398,0.0324980987,0.0324980987,GGA,P-43m,A4B9_cP52_215_ei_3efgi:Ca-Hg,52.0,"Invalid WP multiplicities - A4B9_cP52_215_4e4i_11e6f6g9i:Ca-Hg, expected Ca2Hg7 to be Ca4Hg9" +mp-1227899,Ca14Hg51,-0.9716901789,-0.3014425338,0.0410524399,0.0410524399,GGA,P-6,A14B51_hP65_174_i2j2k_acghj2k6l:Ca-Hg,65.0,"Invalid WP multiplicities - A14B51_hP65_174_i2j2k_ac2ghj2k9l:Ca-Hg, expected Ca14Hg71 to be Ca14Hg51" +mp-11288,Ca3Hg2,-1.796363977,-0.471531903,0.0,-0.009857221,GGA,P4/mbm,A3B2_tP10_127_ah_g:Ca-Hg,10.0,A3B2_tP10_127_ah_g:Ca-Hg +mp-1183509,Ca3Pm,-2.594653205,0.0971822856,0.0971822856,0.0971822856,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Pm,4.0,A3B_cF16_225_ac_b:Ca-Pm +mp-30475,CaHg11,-0.4897083956,-0.0442014043,0.0883115319,0.0883115319,GGA,Pm-3m,AB11_cP36_221_c_agij:Ca-Hg,36.0,AB11_cP36_221_c_agij:Ca-Hg +mp-11286,CaHg,-1.7067646600000002,-0.5521245375,0.0,-0.0898214731,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Hg,2.0,AB_cP2_221_a_b:Ca-Hg +mp-1009651,CaHg2,-1.0398151667,-0.1688282967,0.2802390883,0.2802390883,GGA,P-3m1,AB2_hP3_164_a_d:Ca-Hg,3.0,AB2_hP3_164_a_d:Ca-Hg +mp-11287,CaHg2,-1.3179085367,-0.4469216667,0.0021457183,0.0021457183,GGA,P6/mmm,AB2_hP3_191_a_d:Ca-Hg,3.0,AB2_hP3_191_a_d:Ca-Hg +mp-1183605,CaPm3,-3.9669091462,0.0973975656,0.0973975656,0.0973975656,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Pm,8.0,AB3_hP8_194_c_h:Ca-Pm +mp-1186512,Pm3Hg,-3.7905157375,-0.1516889044,0.00453599,-0.0283199625,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Pm,4.0,AB3_tI8_139_a_bd:Hg-Pm +mp-1186514,Pm3Hg,-3.7950517275,-0.1562248944,0.0,-0.0328559525,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Pm,8.0,AB3_hP8_194_c_h:Hg-Pm +mp-31154,Ca5Hg3,-1.8027765231,-0.4353964612,0.00982652,0.00982652,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Hg,16.0,A5B3_tI32_140_cl_ah:Ca-Hg +mp-1091387,CaHg3,-1.1203442025,-0.3911839588,0.00635485,-0.0470464621,GGA,Cmcm,AB3_oC16_63_c_cg:Ca-Hg,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_2c3g:Ca-Hg, expected CaHg8 to be CaHg3" +mp-863648,CaHg3,-1.1266990525,-0.3975388088,0.0,-0.0534013121,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Hg,8.0,AB3_hP8_194_c_h:Ca-Hg +mp-1103139,Ca2Hg,-1.8396681533,-0.4013747783,0.0,-0.0069424339,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Hg,12.0,A2B_oP12_62_2c_c:Ca-Hg +mp-1105761,Ca3Hg,-1.8781778975,-0.2980578962,0.0029731875,0.0029731875,GGA,Pnma,A3B_oP16_62_cd_c:Ca-Hg,16.0,A3B_oP16_62_cd_c:Ca-Hg +mp-571484,Ca3Hg,-1.777729345,-0.1976093437,0.10342174,0.10342174,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Hg,4.0,A3B_cP4_221_c_a:Ca-Hg +mp-7273,Te8Rh3,-4.9585982436,-0.6641099930000001,0.0,-0.1060026487,GGA,R-3,A3B8_hR33_148_d_cf:Rh-Te,11.0,A3B8_hR33_148_d_cf:Rh-Te +mp-1147675,Rh3Cl4,-4.7199758221,-0.507537215,0.3158206412,0.3158206412,GGA,Pm-3n,A4B3_cP14_223_e_c:Cl-Rh,14.0,A4B3_cP14_223_e_c:Cl-Rh +mp-867259,RhCl2,-4.452767025,-0.7656399617,0.1949442039,0.1949442039,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Rh,6.0,A2B_tP6_136_f_a:Cl-Rh +mp-979264,Te6RhCl3,-3.755164877,-0.578189556,0.0778135235,0.0778135235,GGA,R-3c,A3BC6_hR60_167_e_a_f:Cl-Rh-Te,20.0,A3BC6_hR60_167_e_a_f:Cl-Rh-Te +mp-1217447,Te10Rh7,-5.2656360212,-0.3842704904,0.2263393246,0.2263393246,GGA,P-1,A7B10_aP34_2_7i_10i:Rh-Te,34.0,"Invalid WP multiplicities - A7B10_aP34_2_12i_18i:Rh-Te, expected Te3Rh2 to be Te10Rh7" +mp-1208308,Te2Cl,-3.1608023592,-0.4490862103,0.0092427698,0.0092427698,GGA,Pnma,AB2_oP24_62_2c_4c:Cl-Te,24.0,AB2_oP24_62_2c_4c:Cl-Te +mp-1101148,Te16Rh9,-5.3254900708,-0.6626234659,0.0017200128,-0.0077775152,GGA,P-1,A9B16_aP25_2_a4i_8i:Rh-Te,25.0,"Invalid WP multiplicities - A9B16_aP25_2_a6i_14i:Rh-Te, expected Te28Rh13 to be Te16Rh9" +mp-1217429,Te16Rh9,-5.3272100836,-0.6643434787,0.0,-0.009497528,GGA,P2/m,A9B16_mP25_10_ajkmn_2m2n2o:Rh-Te,25.0,"Invalid WP multiplicities - A9B16_mP25_10_c2i2j2m2n_4m4n8o:Rh-Te, expected Te48Rh17 to be Te16Rh9" +mp-684876,Te40Rh31,-5.0865514835,-0.1002728962,0.4845365041,0.4845365041,GGA,P1,A31B40_aP71_1_31a_40a:Rh-Te,71.0,A31B40_aP71_1_31a_40a:Rh-Te +mp-27770,RhCl3,-4.3081366487,-1.0806571862,0.0,-0.506427215,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Rh,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Cl-Rh, expected RhCl5 to be RhCl3" +mp-569561,TeCl4,-3.2074800587,-1.0999895521,0.0,-0.9209077732,GGA,C2/c,A4B_mC80_15_8f_2f:Cl-Te,40.0,"Invalid WP multiplicities - A4B_mC80_15_30f_5f:Cl-Te, expected TeCl6 to be TeCl4" +mp-1628,TeRh,-5.5658153225,-0.3120084408,0.2070099019,0.2070099019,GGA,P6_3/mmc,AB_hP4_194_a_c:Rh-Te,4.0,AB_hP4_194_a_c:Rh-Te +mp-1025159,Te4Rh3,-5.3349436529,-0.3826369124,0.2105269079,0.2105269079,GGA,C2/m,A3B4_mC14_12_ai_2i:Rh-Te,7.0,A3B4_mC14_12_ai_2i:Rh-Te +mp-228,Te2Rh,-5.22376448,-0.6734579278,0.0086732708,-0.0091857919,GGA,P-3m1,AB2_hP3_164_a_d:Rh-Te,3.0,AB2_hP3_164_a_d:Rh-Te +mp-754,Te2Rh,-5.2324377508,-0.6821311986,0.0,-0.0178590628,GGA,Pa-3,AB2_cP12_205_a_c:Rh-Te,12.0,AB2_cP12_205_a_c:Rh-Te +mp-1101145,Te16Rh15,-5.5108859542,-0.3251597496,0.2106011203,0.2106011203,GGA,P2/m,A15B16_mP31_10_abgjkmno_2m2n2o:Rh-Te,31.0,"Invalid WP multiplicities - A15B16_mP31_10_abd2k2l2m2n3o_4m4n8o:Rh-Te, expected Te48Rh31 to be Te16Rh15" +mp-1193541,Te7RhCl7,-3.566978918,-0.7464985351000001,0.0575000352,0.0575000352,GGA,P-1,A7BC7_aP30_2_7i_i_7i:Cl-Rh-Te,30.0,A7BC7_aP30_2_7i_i_7i:Cl-Rh-Te +mp-1341,Te2Rh3,-5.931400402,-0.2554933227,0.1597213515,0.1597213515,GGA,Cmcm,A3B2_oC20_63_cf_ac:Rh-Te,10.0,A3B2_oC20_63_cf_ac:Rh-Te +mp-27628,Te3Cl2,-3.1626435365,-0.5372453365000001,0.0127494395,0.0127494395,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Cl-Te,20.0,A2B3_mP20_14_2e_3e:Cl-Te +mp-684869,Te16Rh11,-5.0168263789,-0.1538530136,0.461279837,0.461279837,GGA,P-1,A11B16_aP27_2_a5i_8i:Rh-Te,27.0,"Invalid WP multiplicities - A11B16_aP27_2_a9i_15i:Rh-Te, expected Te30Rh19 to be Te16Rh11" +mp-22945,TeRhCl,-4.9897706783,-0.8710538706000001,0.0,-0.0447495593,GGA,C2/m,ABC_mC12_12_i_i_i:Cl-Rh-Te,6.0,ABC_mC12_12_i_i_i:Cl-Rh-Te +mp-1072729,TmTe2,-4.9384792667,-1.3509968633,0.0778745792,0.0778745792,GGA,P4/nmm,A2B_tP6_129_ac_c:Te-Tm,6.0,A2B_tP6_129_ac_c:Te-Tm +mp-1183336,Ba3Tm,-2.302721135,0.2554689258,0.2554689258,0.2554689258,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Tm,4.0,A3B_tI8_139_ad_b:Ba-Tm +mp-1183349,Ba3Tm,-2.32198958,0.2362004808,0.2362004808,0.2362004808,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Tm,8.0,A3B_hP8_194_h_c:Ba-Tm +mp-2150,BaTe2,-4.209713795,-1.4745182194,0.0,-0.005594495,GGA,I4/mcm,AB2_tI12_140_a_h:Ba-Te,6.0,AB2_tI12_140_a_h:Ba-Te +mp-18196,Ba(TmTe2)2,-5.1065280296,-1.7574038354,0.0,-0.02544761,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Te-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-Te-Tm +mp-1104890,Tm2Te5,-4.7404298979,-1.2164012817,0.0735862968,0.0735862968,GGA,Cmcm,A5B2_oC28_63_5c_2c:Te-Tm,14.0,A5B2_oC28_63_5c_2c:Te-Tm +mp-8234,BaTe3,-4.0388214125,-1.2015982575,0.0,-0.0957095929,GGA,P-42_1m,AB3_tP8_113_a_ce:Ba-Te,8.0,"Invalid WP multiplicities - AB3_tP8_113_a_c2e:Ba-Te, expected BaTe5 to be BaTe3" +mp-1025537,TmTe3,-4.3056441775,-0.8292059017000001,0.3566187788,0.2351452198,GGA,Cmcm,A3B_oC16_63_3c_c:Te-Tm,8.0,A3B_oC16_63_3c_c:Te-Tm +mp-1087512,TmTe3,-4.6622629563,-1.1858246804,0.0,-0.121473559,GGA,Cmcm,A3B_oC16_63_3c_c:Te-Tm,8.0,A3B_oC16_63_3c_c:Te-Tm +mp-1183360,Ba3Te,-2.870825575,-0.6457678967,0.3560194325,0.3560194325,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Te,4.0,A3B_tI8_139_ad_b:Ba-Te +mp-984765,Ba3Te,-2.8735934225,-0.6485357442,0.353251585,0.353251585,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Te,8.0,A3B_hP8_194_h_c:Ba-Te +mp-10656,TmTe,-5.16862128,-1.3590506217,0.049664275,-0.0062932449,GGA,P6_3/mmc,AB_hP4_194_a_c:Te-Tm,4.0,AB_hP4_194_a_c:Te-Tm +mp-1094027,TmTe,-5.218285555,-1.4087148967,0.0,-0.0559575199,GGA,P6_3/mmc,AB_hP4_194_c_a:Te-Tm,4.0,AB_hP4_194_c_a:Te-Tm +mp-571233,TmTe,-5.07522551,-1.2656548517,0.143060045,0.0871025251,GGA,Pm-3m,AB_cP2_221_a_b:Te-Tm,2.0,AB_cP2_221_a_b:Te-Tm +mp-237,TmTe,-5.18372659,-1.3741559317,0.034558965,-0.0213985549,GGA,Fm-3m,AB_cF8_225_a_b:Te-Tm,2.0,AB_cF8_225_a_b:Te-Tm +mp-1188133,Tm2Te3,-5.2996265575,-1.6233088522,0.0,-0.2492247755,GGA,Fddd,A3B2_oF80_70_eh_2f:Te-Tm,20.0,A3B2_oF80_70_eh_2f:Te-Tm +mp-1206966,Tm2Te3,-2.440530114,1.2357875913,2.8590964435,2.6098716680000003,GGA,P4/mmm,A3B2_tP5_123_ag_g:Te-Tm,5.0,A3B2_tP5_123_ag_g:Te-Tm +mp-2600,BaTe,-4.369597765,-1.8384573483,0.16511731,-0.694332119,GGA,Pm-3m,AB_cP2_221_a_b:Ba-Te,2.0,AB_cP2_221_a_b:Ba-Te +mp-1000,BaTe,-4.534715075,-2.0035746583,0.0,-0.8594494290000001,GGA,Fm-3m,AB_cF8_225_a_b:Ba-Te,2.0,AB_cF8_225_a_b:Ba-Te +mp-1185799,Mg3Pa,-3.2363121875,0.342564015,0.342564015,0.342564015,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Pa,8.0,A3B_hP8_194_h_c:Mg-Pa +mp-978291,Mg3Pa,-3.227369505,0.3515066975,0.3515066975,0.3515066975,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Pa,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Pa, expected Mg5Pa to be Mg3Pa" +mp-30825,PaRh3,-8.7855710075,-0.88367394,0.0,-0.88367394,GGA,Pm-3m,AB3_cP4_221_a_c:Pa-Rh,4.0,AB3_cP4_221_a_c:Pa-Rh +mp-976742,MgPa3,-7.336599275,0.1994692325,0.1994692325,0.1994692325,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Pa,4.0,AB3_tI8_139_a_bd:Mg-Pa +mp-977441,MgPaRh2,-7.0977348625,-0.63684475,0.0,-0.0282568528,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pa-Rh,4.0,ABC2_cF16_225_a_b_c:Mg-Pa-Rh +mp-976365,Nd3Au,-4.602013185,-0.2074321106,0.2067847175,0.2067847175,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Nd,4.0,AB3_tI8_139_a_bd:Au-Nd +mp-1186260,Nd3Au,-4.6190134763,-0.2244324019,0.1897844263,0.1897844263,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Nd,8.0,AB3_hP8_194_c_h:Au-Nd +mp-1104525,NdAu6,-3.9027455864,-0.4153970961,0.0054969645,0.0054969645,GGA,C2/c,A6B_mC28_15_3f_e:Au-Nd,14.0,A6B_mC28_15_3f_e:Au-Nd +mp-1224962,FeAu,-5.621342695,0.25060891,0.25060891,0.25060891,GGA,R-3m,AB_hR6_166_a_b:Au-Fe,2.0,AB_hR6_166_a_b:Au-Fe +mp-1072880,Nd2Fe,-5.6443960217,0.3577093367,0.3577093367,0.3577093367,GGA,R-3m,AB2_hR18_166_c_abc:Fe-Nd,6.0,AB2_hR18_166_c_abc:Fe-Nd +mp-1510,Nd2Fe17,-7.7573406989,0.3230095871,0.3230095871,0.3230095871,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Nd,19.0,A17B2_hR57_166_cdfh_c:Fe-Nd +mp-1077234,Mg2Ru,-4.0378387133,0.1204821667,0.2435231219,0.2435231219,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Ru,6.0,A2B_oC12_63_g_c:Mg-Ru +mp-1185795,Mg3Ru,-3.505556335,0.0132543375,0.1109926048,0.1109926048,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Ru,4.0,A3B_tI8_139_ad_b:Mg-Ru +mp-1185782,Mg3Ru,-3.5058310625,0.01297961,0.1107178773,0.1107178773,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Ru,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Ru, expected Mg5Ru to be Mg3Ru" +mp-1185555,Mg149Ru,-1.6752952853,-0.0238544187,0.0,-0.021466367,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Ru,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Ru, expected Mg315Ru to be Mg149Ru" +mp-625,Mg3Ru2,-4.8132121515,-0.1432831055,0.0,-0.1288743962,GGA,P4_132,A3B2_cP20_213_d_c:Mg-Ru,20.0,A3B2_cP20_213_d_c:Mg-Ru +mp-1096011,MgGeRu2,-3.517301915,2.6757263312,2.8824090175,2.8824090175,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Mg-Ru,4.0,ABC2_oI8_71_a_b_e:Ge-Mg-Ru +mp-972228,Zr3As2,-8.04654962,-1.05428188,0.0,-0.0033165282,GGA,Pnma,A2B3_oP20_62_2c_3c:As-Zr,20.0,A2B3_oP20_62_2c_3c:As-Zr +mp-27606,ZrAs2,-6.7935192108,-0.8382067308000001,0.0,-0.0766870708,GGA,Pnma,A2B_oP12_62_2c_c:As-Zr,12.0,A2B_oP12_62_2c_c:As-Zr +mp-1200894,Zr3As,-8.3213282853,-0.7457732116,0.0,-0.0575782075,GGA,P4_2/n,AB3_tP32_86_g_3g:As-Zr,32.0,AB3_tP32_86_g_3g:As-Zr +mp-1203256,Zr14As9,-8.0691064904,-1.043024992,0.0,-0.001481821,GGA,Pnnm,A9B14_oP92_58_9g_ac13g:As-Zr,92.0,A9B14_oP92_58_9g_ac13g:As-Zr +mp-1215428,Zr8As5,-8.0077473473,-0.9556552654,0.0772124772,0.0772124772,GGA,P2/m,A5B8_mP52_10_6m4n_cd5m10n:As-Zr,52.0,A5B8_mP52_10_6m4n_ad5m10n:As-Zr +mp-1215880,Zr8As5,-7.9934078712,-0.9413157892,0.0915519534,0.0915519534,GGA,Pmc2_1,A5B8_oP52_26_4a6b_10a6b:As-Zr,52.0,"Invalid WP multiplicities - A5B8_oP52_26_12a8b_10a20b:As-Zr, expected Zr3As2 to be Zr8As5" +mp-1682,ZrAs,-7.7456890075,-1.14227949,0.0,-0.1690257909,GGA,P6_3/mmc,AB_hP8_194_ac_f:As-Zr,8.0,AB_hP8_194_ac_f:As-Zr +mp-10054,ZrAs,-7.67911343,-1.0757039125,0.0665755775,-0.1024502134,GGA,Fm-3m,AB_cF8_225_a_b:As-Zr,2.0,AB_cF8_225_a_b:As-Zr +mp-669436,ZrAsPd,-7.047891085,-0.9189908033,0.0,-0.0166498867,GGA,Pmmn,ABC_oP30_59_a2e_b2e_a2e:As-Pd-Zr,30.0,"Invalid WP multiplicities - ABC_oP30_59_2a6e_2b4e_2a4e:As-Pd-Zr, expected Zr5As7Pd5 to be ZrAsPd" +mp-1191610,Zr7As4,-8.134681645,-1.001010915,0.0,-0.0161890689,GGA,C2/m,A4B7_mC44_12_4i_ad6i:As-Zr,22.0,A4B7_mC44_12_4i_ac6i:As-Zr +mp-1103521,Sr8Rh5,-3.9938269708,-0.1217125879,0.0309987566,0.0309987566,GGA,Pm-3m,A5B8_cP13_221_abc_g:Rh-Sr,13.0,A5B8_cP13_221_abc_g:Rh-Sr +mp-1063245,Sr2Rh,-3.7109265333,-0.1298282744,0.0025215575,0.0025215575,GGA,Fm-3m,AB2_cF12_225_a_c:Rh-Sr,3.0,AB2_cF12_225_a_c:Rh-Sr +mp-30667,Sr8Ga7,-2.712233285,-0.3980586327,0.0,-0.0341416346,GGA,P2_13,A7B8_cP60_198_a2b_2a2b:Ga-Sr,60.0,A7B8_cP60_198_a2b_2a2b:Ga-Sr +mp-30923,Ga5Rh3,-5.2520159925,-0.5978405272,0.0035614796,0.0035614796,GGA,P-1,A5B3_aP16_2_5i_3i:Ga-Rh,16.0,A5B3_aP16_2_5i_3i:Ga-Rh +mp-2444,GaRh,-5.8761615,-0.6799595537,0.0,-0.1746604542,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Rh,2.0,AB_cP2_221_a_b:Ga-Rh +mp-1184265,GaRh3,-6.6004711525,-0.3202162444,0.0197635325,0.0197635325,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Rh,4.0,AB3_tI8_139_a_bd:Ga-Rh +mp-1200062,Ga16Rh3,-4.0050684618,-0.2923074108,0.0074141689,0.0074141689,GGA,Ccce,A16B3_oC76_68_2e3i_ae:Ga-Rh,38.0,A16B3_oC76_68_2e3i_ae:Ga-Rh +mp-31312,Ga9Rh2,-4.1616321168,-0.3451339402,0.0,-0.0130224738,GGA,Pc,A9B2_mP22_7_9a_2a:Ga-Rh,22.0,A9B2_mP22_7_9a_2a:Ga-Rh +mp-1190908,Ga9Rh2,-4.1586475745,-0.342149398,0.0029845423,-0.0100379315,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Ga-Rh,22.0,A9B2_mP22_14_a4e_e:Ga-Rh +mp-1078231,Sr(GaRh)2,-5.195713096,-0.7008528483,0.0,-0.1568852053,GGA,Fddd,A2B2C_oF40_70_e_f_a:Ga-Rh-Sr,10.0,A2B2C_oF40_70_e_f_a:Ga-Rh-Sr +mp-1188977,Ga3Rh,-4.5369794081,-0.4248304237,0.0119197698,0.0119197698,GGA,P4_2/mnm,A3B_tP16_136_cj_f:Ga-Rh,16.0,A3B_tP16_136_cj_f:Ga-Rh +mp-1184314,Ga3Rh,-4.3324303887,-0.2202814044,0.2164687892,0.2164687892,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Rh,8.0,A3B_hP8_194_h_c:Ga-Rh +mp-182,SrGa2,-3.0820245267,-0.5001293606,0.0,-0.0892656247,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Sr,3.0,A2B_hP3_191_c_b:Ga-Sr +mp-1199262,SrGa,-2.7487058073,-0.3899110694,0.0251593513,0.0251593513,GGA,P2_13,AB_cP64_198_2a2b_2a2b:Ga-Sr,64.0,AB_cP64_198_2a2b_2a2b:Ga-Sr +mp-1328,SrRh2,-5.7374027283,-0.2646996639,0.0,-0.1987720121,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Sr,6.0,A2B_cF24_227_c_b:Rh-Sr +mp-1827,SrGa4,-3.17977598,-0.4194004713,0.0,-0.119322855,GGA,I4/mmm,A4B_tI10_139_de_a:Ga-Sr,5.0,"Invalid WP multiplicities - A4B_tI10_139_d2e_a:Ga-Sr, expected SrGa6 to be SrGa4" +mp-1200191,Ga21Rh4,-4.0231772972,-0.3012873791,0.0024304883,0.0024304883,GGA,Cmce,A21B4_oC100_64_a2d4g_2d:Ga-Rh,50.0,A21B4_oC100_64_a2d4g_2d:Ga-Rh +mp-1208743,Sr4Rh,-2.745577798,0.0788785387,0.1582884378,0.1582884378,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Sr,10.0,AB4_cF40_227_a_e:Rh-Sr +mp-30665,Ga17Rh10,-5.2325928784,-0.598492468,0.0,-0.0067080899,GGA,P-4c2,A17B10_tP108_116_e8j_ad2g2h5i:Ga-Rh,108.0,A17B10_tP108_116_e8j_ad2g2h5i:Ga-Rh +mp-2108,Ti5Si3,-7.7125831469,-0.7434063752000001,0.0,-0.084823819,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Ti,16.0,A3B5_hP16_193_g_dg:Si-Ti +mp-11573,TiTc,-9.62463208,-0.4965665992,0.0,-0.4965665992,GGA,Pm-3m,AB_cP2_221_a_b:Tc-Ti,2.0,AB_cP2_221_a_b:Tc-Ti +mp-1077503,TiSi2,-6.7627614,-0.5140520411,0.0,-0.025156545,GGA,Cmcm,A2B_oC12_63_2c_c:Si-Ti,6.0,A2B_oC12_63_2c_c:Si-Ti +mp-2582,TiSi2,-6.7552558767,-0.5065465178,0.0075055233,-0.0176510217,GGA,Fddd,A2B_oF24_70_e_a:Si-Ti,6.0,A2B_oF24_70_e_a:Si-Ti +mp-570991,TiSi2,-6.5831560133,-0.3344466544,0.1796053867,0.1544488417,GGA,Immm,A2B_oI6_71_e_a:Si-Ti,3.0,A2B_oI6_71_e_a:Si-Ti +mp-1179092,TiSi2,-6.0255889033,0.2231204556,0.7371724967000001,0.7120159517,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Ti,6.0,A2B_oF24_70_e_a:Si-Ti +mp-865669,TiSiTc2,-9.0625445325,-0.5520225483,0.0,-0.0595447756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Si-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Si-Tc-Ti +mp-7092,TiSi,-7.3937482675,-0.7333432442000001,0.0,-0.0355864687,GGA,Pnma,AB_oP8_62_c_c:Si-Ti,8.0,AB_oP8_62_c_c:Si-Ti +mp-1065146,TiSi,-7.15263351,-0.4922284867,0.2411147575,0.2055282888,GGA,Amm2,AB_oC4_38_a_b:Si-Ti,2.0,AB_oC4_65_a_c:Si-Ti +mp-22558,TiSi,-7.153448715,-0.4930436917,0.2402995525,0.2047130838,GGA,Cmmm,AB_oC4_65_a_c:Si-Ti,2.0,AB_oC4_65_a_c:Si-Ti +mp-980420,Ti3Si,-7.7557946409,-0.4778461209,0.0177581292,0.0177581292,GGA,P4_2/n,AB3_tP32_86_g_3g:Si-Ti,32.0,AB3_tP32_86_g_3g:Si-Ti +mp-1187525,Ti3Si,-7.7211668775,-0.4432183575,0.0523858926,0.0523858926,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Ti,8.0,AB3_hP8_194_c_h:Si-Ti +mp-998986,Ti3Si,-7.579560245,-0.301611725,0.1939925251,0.1939925251,GGA,Fm-3m,AB3_cF16_225_a_bc:Si-Ti,4.0,AB3_cF16_225_a_bc:Si-Ti +mp-505527,Ti5Si4,-7.5566285983,-0.7589916869000001,0.0,-0.02117594,GGA,P4_12_12,A4B5_tP36_92_2b_a2b:Si-Ti,36.0,A4B5_tP36_92_2b_a2b:Si-Ti +mp-2647026,Ti5Si,-7.7630405042,-0.2792441519,0.0511586815,0.0511586815,GGA,R32,AB5_hR18_155_a_ce:Si-Ti,12.0,"Invalid WP multiplicities - AB5_hR18_155_a_4c4e:Si-Ti, expected Ti20Si to be Ti5Si" +mp-1008689,Ti2Si,-6.76525258,0.3068481078,0.9676537746,0.9676537746,GGA,F-43m,AB2_cF12_216_a_bc:Si-Ti,3.0,AB2_cF12_216_a_bc:Si-Ti +mp-1186039,Na3Eu,-3.4405566175,0.1155878026,0.1155878026,0.1155878026,GGA,Fm-3m,AB3_cF16_225_a_bc:Eu-Na,4.0,AB3_cF16_225_a_bc:Eu-Na +mp-1210811,Na9Hg,-0.592491875,0.6281489256,0.6887222556,0.6887222556,GGA,Cmmm,AB9_oC20_65_a_dekp:Hg-Na,10.0,AB9_oC20_65_a_dekp:Hg-Na +mp-1186050,Na3Hg,-1.2026242925,-0.1348102312,0.0166230938,0.0166230938,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Na,4.0,AB3_tI8_139_a_bd:Hg-Na +mp-1186058,Na3Hg,-1.21087848,-0.1430644187,0.0083689063,0.0083689063,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Na,8.0,AB3_hP8_194_c_h:Hg-Na +mp-29551,Na3Hg,-1.20418209,-0.1363680287,0.0150652963,0.0150652963,GGA,Fm-3m,AB3_cF16_225_a_bc:Hg-Na,4.0,AB3_cF16_225_a_bc:Hg-Na +mp-1186152,NaHg3,-0.752255345,-0.1938637479,0.0,-0.0173417113,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Na,8.0,A3B_hP8_194_h_c:Hg-Na +mp-1186137,NaHg3,-0.7426391625000001,-0.1842475654,0.0096161825,-0.0077255287,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Na,4.0,A3B_cP4_221_c_a:Hg-Na +mp-1186142,NaHg3,-0.7450267225,-0.1866351254,0.0072286225,-0.0101130888,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Na,4.0,A3B_cF16_225_ac_b:Hg-Na +mp-1186144,NaEuHg2,-3.4275913,-0.3808693441,0.0197492169,0.0197492169,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Na +mp-541787,Na8Hg3,-1.2098584857,-0.1651999909,0.0,-0.0116593724,GGA,R-3c,A3B8_hR132_167_bce_2c2f:Hg-Na,44.0,A3B8_hR132_167_bce_2c2f:Hg-Na +mp-17974,Na3Hg2,-1.1271946595,-0.2122073374,0.0,-0.0011260601,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Hg-Na,20.0,"Invalid WP multiplicities - A2B3_tP20_136_j_3d2fg:Hg-Na, expected Na3Hg to be Na3Hg2" +mp-570560,Na3Hg2,-1.0789969065,-0.1640095844,0.048197753,0.0470716929,GGA,P4_2/mnm,A2B3_tP20_136_j_cfg:Hg-Na,20.0,"Invalid WP multiplicities - A2B3_tP20_136_j_3c3f3g:Hg-Na, expected Na9Hg2 to be Na3Hg2" +mp-1186172,NaEu3,-7.9240801075,0.0993025659,0.0993025659,0.0993025659,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Na,4.0,A3B_tI8_139_ad_b:Eu-Na +mp-255,NaHg,-1.0602336887,-0.2471308595,0.0,-0.0262402553,GGA,Cmcm,AB_oC16_63_g_2c:Hg-Na,8.0,AB_oC16_63_g_2c:Hg-Na +mp-11466,NaHg2,-0.8786580567000001,-0.2353627155,0.0,-0.0237432637,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Na,3.0,A2B_hP3_191_c_b:Hg-Na +mp-753,ZnSb,-2.8183688231,-0.1239963981,0.0,-0.038361764,GGA,Pbca,AB_oP16_61_c_c:Sb-Zn,16.0,AB_oP16_61_c_c:Sb-Zn +mp-1077536,ZnSb2,-3.2214320483,-0.0488500183,0.0338142471,0.0338142471,GGA,P-4n2,A2B_tP6_118_f_a:Sb-Zn,6.0,A2B_tP6_118_f_a:Sb-Zn +mp-1215678,ZnCdSb2,-2.7166334631,-0.1064745006,0.0222307766,0.0222307766,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Cd-Sb-Zn,16.0,AB2C_oP16_19_a_2a_a:Cd-Sb-Zn +mp-1183739,CdSb3,-3.2622473012,0.0652260687,0.1319331469,0.1319331469,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Sb,8.0,AB3_hP8_194_c_h:Cd-Sb +mp-1226724,CdSb,-2.509016265,0.016929235,0.1503433912,0.016929235,GGA,Pmmm,AB_oP2_47_a_d:Cd-Sb,2.0,AB_oP2_47_a_d:Cd-Sb +mp-1321,CdSb,-2.6593596562,-0.1334141562,0.0,-0.1334141562,GGA,Pbca,AB_oP16_61_c_c:Cd-Sb,16.0,AB_oP16_61_c_c:Cd-Sb +mp-669510,Cd6Sb5,-2.0195319027,0.3606812573,0.4819668539,0.4819668539,GGA,R-3c,A6B5_hR66_167_f_ce:Cd-Sb,22.0,"Invalid WP multiplicities - A6B5_hR66_167_f_3c3e:Cd-Sb, expected Cd2Sb5 to be Cd6Sb5" +mp-672684,Zn6Sb5,-2.4664168755,0.0975347482,0.2102587465,0.2102587465,GGA,R-3c,A5B6_hR66_167_ce_f:Sb-Zn,22.0,"Invalid WP multiplicities - A5B6_hR66_167_3c4e_f:Sb-Zn, expected ZnSb3 to be Zn6Sb5" +mp-1191566,Zn6Sb5,-2.6546159691,-0.0906643455,0.0220596528,0.0220596528,GGA,R-3c,A5B6_hR66_167_ce_f:Sb-Zn,22.0,A5B6_hR66_167_ce_f:Sb-Zn +mp-971763,ZnSb3,-3.3062844975,0.105402335,0.1674005341,0.1674005341,GGA,Fm-3m,A3B_cF16_225_ac_b:Sb-Zn,4.0,A3B_cF16_225_ac_b:Sb-Zn +mp-570748,Zn13Sb10,-2.6040512964,-0.096804369,0.0110185859,0.0110185859,GGA,P-1,A10B13_aP92_2_20i_26i:Sb-Zn,92.0,"Invalid WP multiplicities - A10B13_aP92_2_39i_51i:Sb-Zn, expected Zn17Sb13 to be Zn13Sb10" +mp-971966,Zn3Sb,-1.8656317625,0.111426255,0.1734244541,0.1734244541,GGA,I4/mmm,AB3_tI8_139_a_bd:Sb-Zn,4.0,AB3_tI8_139_a_bd:Sb-Zn +mp-669913,Sr2Pb3,-3.348543241,-0.4451576177,0.0110617205,0.0110617205,GGA,P4/mbm,A3B2_tP10_127_ag_h:Pb-Sr,10.0,"Invalid WP multiplicities - A3B2_tP10_127_2a2g_h:Pb-Sr, expected SrPb3 to be Sr2Pb3" +mp-867207,Sr2HgPb,-2.4489352375,-0.6001066521,0.0,-0.0624692513,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pb-Sr,4.0,ABC2_cF16_225_a_b_c:Hg-Pb-Sr +mp-1203353,Sr5Pb4,-3.0993398381,-0.5106669995,0.0328149169,0.0328149169,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Sr,36.0,A4B5_oP36_62_2cd_c2d:Pb-Sr +mp-1097349,SrHg2Pb,-0.703141325,0.7992339883,1.20674526,1.1907245858,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Pb-Sr,4.0,A2BC_oI8_71_e_a_b:Hg-Pb-Sr +mp-1187216,SrHg2Pb,-1.909886585,-0.4075112717,0.0,-0.0160206742,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pb-Sr,4.0,A2BC_cF16_225_c_a_b:Hg-Pb-Sr +mp-1187137,Sr3Pb,-2.4995740625,-0.304292205,0.1010161408,0.1010161408,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Sr,4.0,AB3_cP4_221_a_c:Pb-Sr +mp-21162,SrPb3,-3.529881045,-0.3230223792,0.0,-0.0447988681,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Sr,4.0,A3B_cP4_221_c_a:Pb-Sr +mp-30828,Sr2Pb,-2.90428912,-0.5404111278,0.0,-0.1476725823,GGA,Pnma,AB2_oP12_62_c_2c:Pb-Sr,12.0,AB2_oP12_62_c_2c:Pb-Sr +mp-21093,SrPb,-3.2460875725,-0.5450173108,0.0,-0.0577465191,GGA,Cmcm,AB_oC8_63_c_c:Pb-Sr,4.0,AB_oC8_63_c_c:Pb-Sr +mp-1019277,SrHgPb,-2.36803372,-0.4660934239,0.0,-0.0084651742,GGA,P6_3mc,ABC_hP6_186_b_b_a:Hg-Pb-Sr,6.0,ABC_hP6_186_b_b_a:Hg-Pb-Sr +mp-1205201,Dy3Rh2,-6.4764302941,-0.7666350421,0.0,-0.0159323866,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Dy-Rh,70.0,A3B2_tI140_140_bgh2m_acfh2l:Dy-Rh +mp-30620,DyRh5,-7.201273505,-0.2965524733,0.076006655,0.076006655,GGA,P6/mmm,AB5_hP6_191_a_cg:Dy-Rh,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Dy-Rh, expected DyRh8 to be DyRh5" +mp-1183830,Dy5Mg,-4.0690203317,0.0366820433,0.0632706817,0.0632706817,GGA,Amm2,A5B_oC12_38_2a3b_a:Dy-Mg,6.0,A5B_oC12_38_2a3b_a:Dy-Mg +mp-1183822,Dy5Mg,-4.089619285,0.01608309,0.0426717283,0.0426717283,GGA,R32,A5B_hR18_155_cd_b:Dy-Mg,6.0,A5B_hR18_155_cd_b:Dy-Mg +mp-1225309,Dy3Mg,-3.8747032075,-0.019543065,0.0203398925,0.0203398925,GGA,P4/mmm,A3B_tP4_123_ah_b:Dy-Mg,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Dy-Mg, expected Dy5Mg to be Dy3Mg" +mp-864888,Dy2Mg,-3.651398775,-0.046780865,0.0063964117,0.0063964117,GGA,Cmcm,A2B_oC12_63_2c_c:Dy-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Dy-Mg, expected Dy4Mg to be Dy2Mg" +mp-1183839,DyMg5,-2.108056975,-0.00669246,0.0511003205,0.0511003205,GGA,C2/m,AB5_mC12_12_a_c2i:Dy-Mg,6.0,"Invalid WP multiplicities - AB5_mC12_12_a_d4i:Dy-Mg, expected DyMg9 to be DyMg5" +mp-1105501,Dy3Rh,-5.8170656019,-0.5208985044000001,0.0,-0.0069607815,GGA,Pnma,A3B_oP16_62_cd_c:Dy-Rh,16.0,A3B_oP16_62_cd_c:Dy-Rh +mp-1212808,Dy4Rh,-5.079015379,0.079275667,0.4959944705,0.4959944705,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Rh,10.0,A4B_cF40_227_e_a:Dy-Rh +mp-1184537,DyMg149,-1.6459646916,-0.025641263,0.0,-0.0236535733,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Dy-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Dy-Mg, expected DyMg315 to be DyMg149" +mp-571208,Dy4MgRh,-4.9624930521,-0.3972038388,0.0,-0.0233495308,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-Mg-Rh,24.0,"Invalid WP multiplicities - A4BC_cF96_216_4e4f5g_e_e:Dy-Mg-Rh, expected Dy35(MgRh)2 to be Dy4MgRh" +mp-1183833,DyMg2,-2.66649752,-0.06404854,0.01223234,0.01223234,GGA,P6/mmm,AB2_hP3_191_a_d:Dy-Mg,3.0,AB2_hP3_191_a_d:Dy-Mg +mp-30602,DyMg2,-2.6646602358,-0.0622112558,0.0140696242,0.0140696242,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Mg,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Dy-Mg, expected Dy2Mg7 to be DyMg2" +mp-1183802,DyMg2,-2.66564067,-0.06319169,0.01308919,0.01308919,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Mg,6.0,AB2_cF24_227_a_d:Dy-Mg +mp-867831,DyMgRh2,-5.9509073325,-0.716986675,0.0,-0.04234157,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Mg-Rh +mp-1188653,Dy5Rh3,-6.3581303481,-0.7172731219,0.0118844766,0.0118844766,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Rh,16.0,A5B3_hP16_193_dg_g:Dy-Rh +mp-672670,Dy5Mg24,-2.1575967138,-0.0389534241,0.0199942241,0.0199942241,GGA,I-43m,A5B24_cI58_217_ac_2g:Dy-Mg,29.0,"Invalid WP multiplicities - A5B24_cI58_217_a2c_14g:Dy-Mg, expected Dy3Mg56 to be Dy5Mg24" +mp-1388,DyRh2,-7.19025245,-0.7451182567,0.0,-0.154631625,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Rh,6.0,AB2_cF24_227_a_d:Dy-Rh +mp-2077,DyMg,-3.18329936,-0.079765915,0.0,-0.021882051,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Mg,2.0,AB_cP2_221_a_b:Dy-Mg +mp-232,DyRh,-6.869968145,-0.8844207900000001,0.0,-0.1258545424,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Rh,2.0,AB_cP2_221_a_b:Dy-Rh +mp-1105786,Dy7Rh3,-6.0507684165,-0.6167252675,0.0,-0.0139145839,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Dy-Rh,20.0,A7B3_hP20_186_b2c_c:Dy-Rh +mp-1183817,DyMg3,-2.4119629225,-0.060056175,0.0144821875,-0.0058054097,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Mg,8.0,AB3_hP8_194_c_h:Dy-Mg +mp-1546,DyMg3,-2.42644511,-0.0745383625,0.0,-0.0202875972,GGA,Fm-3m,AB3_cF16_225_a_bc:Dy-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Dy-Mg, expected DyMg5 to be DyMg3" +mp-607721,NdZnRh,-5.1139245871,-0.6498582829,0.0,-0.121732385,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Nd-Rh-Zn,24.0,"Invalid WP multiplicities - ABC_oP24_62_4c_5c_4c:Nd-Rh-Zn, expected Nd4Zn4Rh5 to be NdZnRh" +mp-971779,ZnRh3,-6.0075534725,-0.1693866675,0.02279913,0.02279913,GGA,I4/mmm,A3B_tI8_139_ad_b:Rh-Zn,4.0,A3B_tI8_139_ad_b:Rh-Zn +mp-1104743,Nd3Rh2,-6.4221717080000005,-0.6155601005,0.0,-0.0149182648,GGA,R-3,A3B2_hR45_148_acf_f:Nd-Rh,15.0,A3B2_hR45_148_acf_f:Nd-Rh +mp-1201296,Nd5Rh4,-6.5687778331,-0.6467813172,0.0,-0.0035972719,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Nd-Rh,36.0,A5B4_oP36_62_c2d_2cd:Nd-Rh +mp-1189498,Nd7Rh3,-6.043823566,-0.4968280022,0.0,-0.0334998293,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Nd-Rh,20.0,A7B3_hP20_186_b2c_c:Nd-Rh +mp-6938,ZnRh,-4.696397335,-0.384371595,0.0,-0.1335529163,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Zn,2.0,AB_cP2_221_a_b:Rh-Zn +mp-2290,NdRh2,-7.1536944017,-0.6547733442,0.0,-0.0931925014,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-Rh,6.0,AB2_cF24_227_a_d:Nd-Rh +mp-1065290,NdRh3,-6.7111039575,0.0041638031,0.5076780792,0.4952438112,GGA,P6/mmm,AB3_hP4_191_a_g:Nd-Rh,4.0,AB3_hP4_191_a_g:Nd-Rh +mp-864699,NdRh3,-7.2187820367,-0.503514276,0.0,-0.0124342679,GGA,P6_3/mmc,AB3_hP24_194_cf_abdk:Nd-Rh,24.0,AB3_hP24_194_cf_abdk:Nd-Rh +mp-13447,Zn13Rh,-1.8258295079,-0.1300455936,0.0,-0.0084281836,GGA,C2/m,AB13_mC28_12_a_c2i2j:Rh-Zn,14.0,AB13_mC28_12_a_c2i2j:Rh-Zn +mp-13448,Zn11Rh2,-2.4608525331,-0.2619451908,0.0,-0.0385741681,GGA,I-43m,A2B11_cI52_217_c_ceg:Rh-Zn,26.0,A2B11_cI52_217_c_ceg:Rh-Zn +mp-999335,NdRh,-6.7439416275,-0.6777139762000001,0.0,-0.0289346523,GGA,Cmcm,AB_oC8_63_c_c:Nd-Rh,4.0,AB_oC8_63_c_c:Nd-Rh +mp-865342,Zn3Rh,-3.118135365,-0.33225069,0.0,-0.0362981647,GGA,I4/mmm,AB3_tI8_139_a_bd:Rh-Zn,4.0,AB3_tI8_139_a_bd:Rh-Zn +mp-980200,Zn3Rh,-3.1063731637,-0.3204884887,0.0117622012,-0.0245359635,GGA,P6_3/mmc,AB3_hP8_194_c_h:Rh-Zn,8.0,AB3_hP8_194_c_h:Rh-Zn +mp-1220520,Nd4Rh,-5.5984757653,-0.3110962453,0.0201224228,0.0201224228,GGA,Pm,A4B_mP15_6_2a2b4c_2ab:Nd-Rh,15.0,"Invalid WP multiplicities - A4B_mP15_6_2a2b8c_2ab:Nd-Rh, expected Nd20Rh3 to be Nd4Rh" +mp-1210090,Nd4Rh,-5.198206731,0.089172789,0.4203914572,0.4203914572,GGA,Fd-3m,A4B_cF40_227_e_a:Nd-Rh,10.0,A4B_cF40_227_e_a:Nd-Rh +mp-1102915,Mg2Pb,-2.3348015892,-0.0303991992,0.0261013475,0.0057839317,GGA,Pnma,A2B_oP12_62_2c_c:Mg-Pb,12.0,A2B_oP12_62_2c_c:Mg-Pb +mp-20724,Mg2Pb,-2.3609029367,-0.0565005467,0.0,-0.0203174158,GGA,Fm-3m,A2B_cF12_225_c_a:Mg-Pb,3.0,A2B_cF12_225_c_a:Mg-Pb +mp-1183811,Ce2MgPb,-4.452320045,-0.1575436875,0.0844259717,0.0844259717,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Mg-Pb,4.0,A2BC_cF16_225_c_a_b:Ce-Mg-Pb +mp-1016346,CeMg7,-2.0675486725,0.0743325156,0.08849697,0.08849697,GGA,P-6m2,AB7_hP8_187_a_djk:Ce-Mg,8.0,AB7_hP8_187_a_djk:Ce-Mg +mp-1039659,CeMg2,-3.0195656833,0.0249840683,0.0501653206,0.0501653206,GGA,Cm,AB2_mC12_8_2a_4a:Ce-Mg,6.0,AB2_mC12_8_2a_4a:Ce-Mg +mp-1038955,CeMg2,-3.03536104,0.0091887117,0.0343699639,0.0343699639,GGA,C2/m,AB2_mC12_12_i_2i:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039304,CeMg2,-3.0397717467,0.004778005,0.0299592572,0.0299592572,GGA,C2/m,AB2_mC12_12_i_2i:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039548,CeMg2,-2.9703033017,0.07424645,0.0994277022,0.0994277022,GGA,C2/c,AB2_mC12_15_e_f:Ce-Mg,6.0,AB2_mC12_15_e_f:Ce-Mg +mp-1094815,CeMg2,-3.002891155,0.0416585967,0.0668398489,0.0668398489,GGA,Amm2,AB2_oC12_38_2a_a3b:Ce-Mg,6.0,AB2_oC12_38_2a_a3b:Ce-Mg +mp-1039524,CeMg2,-2.96413052,0.0804192317,0.1056004839,0.1056004839,GGA,Cmcm,AB2_oC12_63_c_g:Ce-Mg,6.0,AB2_oC12_63_c_g:Ce-Mg +mp-1039345,CeMg2,-3.0647362733,-0.0201865217,0.0049947306,0.0049947306,GGA,Cmcm,AB2_oC12_63_c_2c:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039381,CeMg2,-2.9985502467,0.045999505,0.0711807572,0.0711807572,GGA,Cmcm,AB2_oC12_63_c_2c:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039357,CeMg2,-3.0498009017,-0.00525115,0.0199301022,0.0199301022,GGA,Cmcm,AB2_oC12_63_c_2c:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1094684,CeMg2,-3.0126762733,0.0318734783,0.0570547306,0.0570547306,GGA,P-3m1,AB2_hP6_164_d_2d:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039355,CeMg2,-3.03372413,0.0108256217,0.0360068739,0.0360068739,GGA,P-6m2,AB2_hP6_187_g_adh:Ce-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Ce-Mg, expected CeMg3 to be CeMg2" +mp-1039549,CeMg2,-2.9366010417,0.10794871,0.1331299622,0.1331299622,GGA,P-62m,AB2_hP6_189_c_ag:Ce-Mg,6.0,AB2_hP6_189_c_ag:Ce-Mg +mp-1039492,CeMg2,-3.0456529233,-0.0011031717,0.0240780806,0.0240780806,GGA,P6_3/mmc,AB2_hP6_194_c_f:Ce-Mg,6.0,AB2_hP6_194_c_f:Ce-Mg +mp-1102767,CeMg2,-2.9737196442,0.0708301075,0.0960113597,0.0960113597,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ce-Mg,12.0,AB2_hP12_194_f_ah:Ce-Mg +mp-21419,CeMg2,-3.0264045583,0.0181451933,0.0433264456,0.0433264456,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Mg,6.0,AB2_cF24_227_a_d:Ce-Mg +mp-1039505,CeMg,-3.6631988667,0.1034857358,0.122371675,0.122371675,GGA,C2,AB_mC12_5_ac_bc:Ce-Mg,6.0,AB_mC12_5_ac_bc:Ce-Mg +mp-1039594,CeMg,-3.734777095,0.0319075075,0.0507934467,0.0507934467,GGA,Cm,AB_mC12_8_3a_3a:Ce-Mg,6.0,AB_mC12_8_3a_3a:Ce-Mg +mp-1039481,CeMg,-3.722099915,0.0445846875,0.0634706267,0.0634706267,GGA,Cm,AB_mC12_8_3a_3a:Ce-Mg,6.0,AB_mC12_8_3a_3a:Ce-Mg +mp-1038816,CeMg,-3.7589986275,0.007685975,0.0265719142,0.0265719142,GGA,C2/m,AB_mC8_12_i_i:Ce-Mg,4.0,AB_mC8_12_i_i:Ce-Mg +mp-1039049,CeMg,-3.7094420992,0.0572425033,0.0761284425,0.0761284425,GGA,Amm2,AB_oC12_38_2ab_a2b:Ce-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ce-Mg +mp-1039711,CeMg,-3.663540635,0.1031439675,0.1220299067,0.1220299067,GGA,Amm2,AB_oC12_38_ae_bd:Ce-Mg,12.0,AB_oC12_38_2a2e_2b2d:Ce-Mg +mp-1039582,CeMg,-3.71793547,0.0487491325,0.0676350717,0.0676350717,GGA,Amm2,AB_oC12_38_2ab_a2b:Ce-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ce-Mg +mp-1039509,CeMg,-3.6997136108,0.0669709917,0.0858569308,0.0858569308,GGA,Amm2,AB_oC12_38_2ab_a2b:Ce-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ce-Mg +mp-1094963,CeMg,-3.75621824,0.0104663625,0.0293523017,0.0293523017,GGA,Pmma,AB_oP4_51_e_f:Ce-Mg,4.0,AB_oP4_51_e_f:Ce-Mg +mp-1038788,CeMg,-3.745459565,0.0212250375,0.0401109767,0.0401109767,GGA,Pmmn,AB_oP4_59_a_b:Ce-Mg,4.0,AB_oP4_59_a_b:Ce-Mg +mp-1039765,CeMg,-3.7443248033,0.0223597992,0.0412457383,0.0412457383,GGA,P3m1,AB_hP6_156_2ab_a2b:Ce-Mg,6.0,AB_hP6_156_2ab_a2b:Ce-Mg +mp-1039083,CeMg,-3.72558539,0.0410992125,0.0599851517,0.0599851517,GGA,P-3m1,AB_hP4_164_d_d:Ce-Mg,4.0,AB_hP4_164_d_d:Ce-Mg +mp-1038887,CeMg,-3.75499048,0.0116941225,0.0305800617,0.0305800617,GGA,R-3m,AB_hR6_166_a_b:Ce-Mg,2.0,AB_hR6_166_a_b:Ce-Mg +mp-1039574,CeMg,-3.7347646033,0.0319199992,0.0508059383,0.0508059383,GGA,P-6m2,AB_hP6_187_ah_dg:Ce-Mg,6.0,"Invalid WP multiplicities - AB_hP6_187_ah_d2g:Ce-Mg, expected Ce3Mg5 to be CeMg" +mp-1038715,CeMg,-3.7498641,0.0168205025,0.0357064417,0.0357064417,GGA,P-6m2,AB_hP2_187_a_d:Ce-Mg,2.0,AB_hP2_187_a_d:Ce-Mg +mp-1039581,CeMg,-2.733594725,1.0330898775,1.0519758167,1.0519758167,GGA,P6_3/mmc,AB_hP4_194_c_d:Ce-Mg,4.0,AB_hP4_194_c_d:Ce-Mg +mp-1039365,CeMg,-2.4001775325,1.36650707,1.3853930092,1.3853930092,GGA,F-43m,AB_cF8_216_a_c:Ce-Mg,8.0,AB_cF8_216_a_c:Ce-Mg +mp-1062,CeMg,-3.67973078,0.0869538225,0.1058397617,0.1058397617,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Mg,2.0,AB_cP2_221_a_b:Ce-Mg +mp-1039270,CeMg,-3.123934495,0.6427501075000001,0.6616360467,0.6616360467,GGA,Fm-3m,AB_cF8_225_a_b:Ce-Mg,2.0,AB_cF8_225_a_b:Ce-Mg +mp-976824,MgPb3,-3.17130412,0.013251195,0.0344389,0.0344389,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Pb,4.0,AB3_tI8_139_a_bd:Mg-Pb +mp-976828,MgPb3,-3.1936340425,-0.0090787275,0.0121089775,0.0121089775,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Pb,4.0,"Invalid WP multiplicities - AB3_hP4_187_a_b2h:Mg-Pb, expected MgPb5 to be MgPb3" +mp-1185974,MgPb3,-3.1515396037,0.0330157113,0.0542034163,0.0542034163,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Pb,8.0,AB3_hP8_194_c_h:Mg-Pb +mp-1038988,Ce3Mg,-4.7709790325,0.0789078462,0.0883508158,0.0883508158,GGA,Pmm2,A3B_oP4_25_abc_d:Ce-Mg,4.0,A3B_oP4_25_abc_d:Ce-Mg +mp-1038902,Ce3Mg,-4.762899175,0.0869877037,0.0964306733,0.0964306733,GGA,Imm2,A3B_oI8_44_ac_b:Ce-Mg,4.0,A3B_oI8_44_ac_b:Ce-Mg +mp-1038790,Ce3Mg,-4.7658776175,0.0840092612,0.0934522308,0.0934522308,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Mg,4.0,A3B_tI8_139_ad_b:Ce-Mg +mp-1038876,Ce3Mg,-4.7736279225,0.0762589562,0.0857019258,0.0857019258,GGA,P-6m2,A3B_hP4_187_ah_b:Ce-Mg,4.0,A3B_hP4_187_ah_b:Ce-Mg +mp-1039470,Ce3Mg,-4.72021422,0.1296726587,0.1391156283,0.1391156283,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Mg,8.0,A3B_hP8_194_h_c:Ce-Mg +mp-1094904,Ce3Mg,-4.75631613,0.0935707487,0.1030137183,0.1030137183,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Mg,4.0,A3B_cP4_221_c_a:Ce-Mg +mp-1039189,Ce3Mg,-4.6629135725,0.1869733062,0.1964162758,0.1964162758,GGA,Fm-3m,A3B_cF16_225_ac_b:Ce-Mg,4.0,A3B_cF16_225_ac_b:Ce-Mg +mp-1185919,MgPb,-2.67425749,-0.01779393,0.02458148,0.02458148,GGA,C2/m,AB_mC8_12_i_i:Mg-Pb,4.0,AB_mC8_12_i_i:Mg-Pb +mp-1185937,MgPb,-2.6901740050000003,-0.033710445,0.008664965,0.008664965,GGA,Pmma,AB_oP4_51_e_f:Mg-Pb,4.0,AB_oP4_51_e_f:Mg-Pb +mp-1039088,CeMg5,-2.267970045,0.0544448558,0.073330795,0.073330795,GGA,Cm,AB5_mC12_8_a_5a:Ce-Mg,6.0,AB5_mC12_8_a_5a:Ce-Mg +mp-1039565,CeMg5,-2.2726680117,0.0497468892,0.0686328283,0.0686328283,GGA,Amm2,AB5_oC12_38_a_2a3b:Ce-Mg,12.0,"Invalid WP multiplicities - AB5_oC12_38_a_4a6b:Ce-Mg, expected CeMg10 to be CeMg5" +mp-1094711,CeMg5,-2.2045892717,0.1178256292,0.1367115683,0.1367115683,GGA,R32,AB5_hR18_155_a_ce:Ce-Mg,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Ce-Mg, expected CeMg10 to be CeMg5" +mp-1038976,CeMg5,-2.3379099183,-0.0154950175,0.0033909217,0.0033909217,GGA,P-6m2,AB5_hP6_187_a_dgh:Ce-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Ce-Mg, expected CeMg9 to be CeMg5" +mp-1038949,CeMg5,-2.272044335,0.0503705658,0.069256505,0.069256505,GGA,P-62m,AB5_hP6_189_a_cg:Ce-Mg,6.0,AB5_hP6_189_a_cg:Ce-Mg +mp-1016254,CeMg3,-2.59898169,0.0845006363,0.112829545,0.1023414058,GGA,Pmm2,AB3_oP4_25_a_bcd:Ce-Mg,4.0,AB3_oP4_25_a_bcd:Ce-Mg +mp-1094814,CeMg3,-2.578547485,0.1049348412,0.13326375,0.1227756108,GGA,Imm2,AB3_oI8_44_a_bc:Ce-Mg,4.0,AB3_oI8_44_a_bc:Ce-Mg +mp-1038878,CeMg3,-2.69643894,-0.0129566138,0.015372295,0.0048841558,GGA,P-6m2,AB3_hP4_187_a_bh:Ce-Mg,4.0,AB3_hP4_187_a_bh:Ce-Mg +mp-1094760,CeMg3,-2.6685765338,0.0149057925,0.0432347012,0.0327465621,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Mg,8.0,AB3_hP8_194_c_h:Ce-Mg +mp-1038837,CeMg3,-2.6211024925,0.0623798338,0.0907087425,0.0802206033,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Mg,4.0,AB3_cP4_221_a_c:Ce-Mg +mp-1798,CeMg3,-2.711811235,-0.0283289087,0.0,-0.0104881392,GGA,Fm-3m,AB3_cF16_225_a_bc:Ce-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Ce-Mg, expected CeMg5 to be CeMg3" +mp-1094837,Ce2Mg,-4.3969841033,0.09183535,0.1044259761,0.1044259761,GGA,C2/m,A2B_mC12_12_2i_i:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1039008,Ce2Mg,-4.468344785,0.0204746683,0.0330652944,0.0330652944,GGA,C2/m,A2B_mC12_12_2i_i:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1039605,Ce2Mg,-4.44913284,0.0396866133,0.0522772394,0.0522772394,GGA,C2/c,A2B_mC12_15_f_e:Ce-Mg,6.0,A2B_mC12_15_f_e:Ce-Mg +mp-1094732,Ce2Mg,-4.4312706767,0.0575487767,0.0701394028,0.0701394028,GGA,Amm2,A2B_oC12_38_a3b_2a:Ce-Mg,6.0,A2B_oC12_38_a3b_2a:Ce-Mg +mp-1039535,Ce2Mg,-4.4246889117,0.0641305417,0.0767211678,0.0767211678,GGA,Cmcm,A2B_oC12_63_2c_c:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1039259,Ce2Mg,-4.4100363575,0.0787830958,0.0913737219,0.0913737219,GGA,Cmcm,A2B_oC12_63_2c_c:Ce-Mg,12.0,"Invalid WP multiplicities - A2B_oC12_63_5c_c:Ce-Mg, expected Ce5Mg to be Ce2Mg" +mp-1094918,Ce2Mg,-4.4767996983,0.012019755,0.0246103811,0.0246103811,GGA,Cmcm,A2B_oC12_63_2c_c:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1039534,Ce2Mg,-4.417588485,0.0712309683,0.0838215944,0.0838215944,GGA,Cmcm,A2B_oC12_63_g_c:Ce-Mg,6.0,A2B_oC12_63_g_c:Ce-Mg +mp-1039508,Ce2Mg,-3.848418375,0.6404010783,0.6529917044,0.6529917044,GGA,P4_2/mnm,A2B_tP6_136_f_a:Ce-Mg,6.0,A2B_tP6_136_f_a:Ce-Mg +mp-1183941,Ce2Mg,-4.3593122367,0.1295072167,0.1420978428,0.1420978428,GGA,I4/mmm,A2B_tI6_139_e_a:Ce-Mg,3.0,A2B_tI6_139_e_a:Ce-Mg +mp-1039631,Ce2Mg,-4.3913482183,0.097471235,0.1100618611,0.1100618611,GGA,R32,A2B_hR18_155_ae_c:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Ce-Mg, expected Ce7Mg2 to be Ce2Mg" +mp-1039090,Ce2Mg,-4.431393635,0.0574258183,0.0700164444,0.0700164444,GGA,P-3m1,A2B_hP6_164_2d_d:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1038873,Ce2Mg,-4.42387785,0.0649416033,0.0775322294,0.0775322294,GGA,P-6m2,A2B_hP6_187_adg_h:Ce-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Ce-Mg, expected Ce3Mg to be Ce2Mg" +mp-1039288,Ce2Mg,-4.38523961,0.1035798433,0.1161704694,0.1161704694,GGA,P-62m,A2B_hP6_189_ag_c:Ce-Mg,6.0,A2B_hP6_189_ag_c:Ce-Mg +mp-1039269,Ce2Mg,-4.418360945,0.0704585083,0.0830491344,0.0830491344,GGA,P6_3/mmc,A2B_hP6_194_f_c:Ce-Mg,6.0,A2B_hP6_194_f_c:Ce-Mg +mp-1185831,Mg5Pb,-1.94578303,0.00655819,0.0489875707,0.0489875707,GGA,Cm,A5B_mC12_8_5a_a:Mg-Pb,6.0,A5B_mC12_8_5a_a:Mg-Pb +mp-1185825,Mg5Pb,-1.937437015,0.014904205,0.0573335857,0.0573335857,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Pb,6.0,A5B_oC12_38_2a3b_a:Mg-Pb +mp-1185832,Mg5Pb,-1.9671504533,-0.0148092333,0.0276201474,0.0276201474,GGA,R32,A5B_hR18_155_cd_b:Mg-Pb,6.0,A5B_hR18_155_cd_b:Mg-Pb +mp-1185818,Mg5Pb,-1.9577747683,-0.0054335483,0.0369958324,0.0369958324,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Pb,6.0,"Invalid WP multiplicities - A5B_hP6_189_2c3g_a:Mg-Pb, expected Mg13Pb to be Mg5Pb" +mp-1185962,MgPb5,-3.3354238283,0.0251620717,0.0392872083,0.0392872083,GGA,Cm,AB5_mC12_8_a_5a:Mg-Pb,6.0,AB5_mC12_8_a_5a:Mg-Pb +mp-976891,MgPb5,-3.3148137083,0.0457721917,0.0598973283,0.0598973283,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Pb,6.0,AB5_oC12_38_a_2a3b:Mg-Pb +mp-976969,MgPb5,-3.3288367367,0.0317491633,0.0458743,0.0458743,GGA,R32,AB5_hR18_155_a_ce:Mg-Pb,6.0,AB5_hR18_155_a_ce:Mg-Pb +mp-978293,Mg3Pb,-2.164446845,-0.03607504,0.0133899237,0.0133899237,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Pb,4.0,A3B_tI8_139_ad_b:Mg-Pb +mp-1185787,Mg3Pb,-2.1657912788,-0.0374194737,0.01204549,0.01204549,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Pb,8.0,A3B_hP8_194_h_c:Mg-Pb +mp-1094871,Ce5Mg,-5.1243813317,0.0865729725,0.0928682856,0.0928682856,GGA,Cm,A5B_mC12_8_5a_a:Ce-Mg,6.0,A5B_mC12_8_5a_a:Ce-Mg +mp-1094810,Ce5Mg,-5.0744520017,0.1365023025,0.1427976156,0.1427976156,GGA,Amm2,A5B_oC12_38_2a3b_a:Ce-Mg,6.0,A5B_oC12_38_2a3b_a:Ce-Mg +mp-1038971,Ce5Mg,-5.117160275,0.0937940292,0.1000893422,0.1000893422,GGA,R32,A5B_hR18_155_cd_b:Ce-Mg,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Ce-Mg, expected Ce10Mg to be Ce5Mg" +mp-1039435,Ce5Mg,-5.134477025,0.0764772792,0.0827725922,0.0827725922,GGA,P-6m2,A5B_hP6_187_agh_d:Ce-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Ce-Mg, expected Ce9Mg to be Ce5Mg" +mp-1039084,Ce5Mg,-5.1161478733,0.0948064308,0.1011017439,0.1011017439,GGA,P-62m,A5B_hP6_189_cg_a:Ce-Mg,6.0,A5B_hP6_189_cg_a:Ce-Mg +mp-1103919,CeMg12,-1.9343738138,-0.0008007558,0.0079158315,0.0079158315,GGA,I4/mmm,AB12_tI26_139_a_fij:Ce-Mg,13.0,AB12_tI26_139_a_fij:Ce-Mg +mp-1185936,MgPb2,-3.0024711367,0.0060535933,0.0343038667,0.0343038667,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Pb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Pb, expected MgPb3 to be MgPb2" +mp-1210680,MgPb2,-3.0045415875,0.0039831425,0.0322334158,0.0322334158,GGA,Pnma,AB2_oP12_62_c_2c:Mg-Pb,12.0,AB2_oP12_62_c_2c:Mg-Pb +mp-1185940,MgPb2,-2.987856425,0.020668305,0.0489185783,0.0489185783,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Pb,6.0,AB2_oC12_63_c_g:Mg-Pb +mp-1185999,MgPb2,-3.0002106817,0.0083140483,0.0365643217,0.0365643217,GGA,P-6m2,AB2_hP6_187_g_adh:Mg-Pb,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Mg-Pb, expected MgPb3 to be MgPb2" +mp-1185955,MgPb2,-3.0166610417,-0.0081363117,0.0201139617,0.0201139617,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mg-Pb,6.0,AB2_hP6_194_c_f:Mg-Pb +mp-1185570,Mg149Pb,-1.6432835583,-0.0289210615,0.0,-0.0277910505,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Pb,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Pb, expected Mg309Pb to be Mg149Pb" +mp-1214097,Ce4Mg,-4.386192067,0.680335267,0.6878896427,0.6878896427,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Mg,10.0,A4B_cF40_227_e_a:Ce-Mg +mp-680564,Ce2Mg17,-2.0345018692,0.0218633497,0.0337913113,0.0337913113,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ce-Mg,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_3f4g7j7k:Ce-Mg, expected CeMg51 to be Ce2Mg17" +mp-680586,Ce5Mg41,-2.0725113689,-0.0012738075,0.0110431093,0.0110431093,GGA,I4/m,A5B41_tI92_87_ah_bf3h3i:Ce-Mg,46.0,"Invalid WP multiplicities - A5B41_tI92_87_ah_b4f11h17i:Ce-Mg, expected Ce5Mg197 to be Ce5Mg41" +mp-1023633,CeMg15,-1.8263182656,0.0447623534,0.0518445806,0.0518445806,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Ce-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Ce-Mg, expected CeMg27 to be CeMg15" +mp-1007666,HoAu,-4.82009371,-0.8919482750000001,0.0,-0.1323979863,GGA,Cmcm,AB_oC8_63_c_c:Au-Ho,4.0,AB_oC8_63_c_c:Au-Ho +mp-11245,HoAu,-4.8037782700000005,-0.8756328350000001,0.01631544,-0.1160825463,GGA,Pm-3m,AB_cP2_221_a_b:Au-Ho,2.0,AB_cP2_221_a_b:Au-Ho +mp-30386,HoAu3,-4.3234591837,-0.7224454662,0.0,-0.0198560875,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Ho,8.0,A3B_oP8_59_ae_b:Au-Ho +mp-30385,Ho2Au,-4.7898293675,-0.6435961208000001,0.0,-0.0489639375,GGA,Pnma,AB2_oP12_62_c_2c:Au-Ho,12.0,AB2_oP12_62_c_2c:Au-Ho +mp-1102992,HoAlAu,-4.6626637608,-0.7953748608000001,0.0,-0.1010168916,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Ho,12.0,ABC_oP12_62_c_c_c:Al-Au-Ho +mp-30550,AlAu2,-3.744227008,-0.3131137313,0.003522247,-0.0121331238,GGA,Pnnm,AB2_oP30_58_a2g_5g:Al-Au,30.0,AB2_oP30_58_a2g_5g:Al-Au +mp-569558,AlAu2,-3.747749255,-0.3166359783,0.0,-0.0156553708,GGA,Pnma,AB2_oP12_62_c_2c:Al-Au,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_5c:Al-Au, expected AlAu5 to be AlAu2" +mp-1018179,AlAu2,-3.74127876,-0.3101654833,0.006470495,-0.0091848758,GGA,I4/mmm,AB2_tI6_139_a_e:Al-Au,3.0,AB2_tI6_139_a_e:Al-Au +mp-990,HoAu2,-4.58556208,-0.8755044567,0.0,-0.0965580542,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Ho,3.0,A2B_tI6_139_e_a:Au-Ho +mp-1183223,AlAu3,-3.5897160387,-0.1979105812,0.0526666984,0.0526666984,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Au,8.0,AB3_hP8_194_c_h:Al-Au +mp-1399,AlAu,-3.90526697,-0.395538055,0.0,-0.0256923842,GGA,P2_1/m,AB_mP8_11_2e_2e:Al-Au,8.0,AB_mP8_11_2e_2e:Al-Au +mp-10871,AlAu,-3.75307207,-0.243343155,0.1521949,0.1265025158,GGA,Pm-3m,AB_cP2_221_a_b:Al-Au,2.0,AB_cP2_221_a_b:Al-Au +mp-1183189,Al3Au,-3.7416342625,-0.11398189,0.2033096325,0.2033096325,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Au,4.0,A3B_tI8_139_ad_b:Al-Au +mp-1199447,HoAu6,-3.8810398993,-0.4202254893,0.007517605,0.007517605,GGA,P4_2/ncm,A6B_tP56_138_cei2j_i:Au-Ho,56.0,A6B_tP56_138_cei2j_i:Au-Ho +mp-982559,HoAlAu2,-4.43606646,-0.7171292850000001,0.0252304994,0.0252304994,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Ho,4.0,AB2C_cF16_225_a_c_b:Al-Au-Ho +mp-16480,Al3Au8,-3.669121853,-0.2665960811,0.0019972073,0.0019972073,GGA,R-3c,A3B8_hR132_167_bce_2c2f:Al-Au,44.0,A3B8_hR132_167_bce_2c2f:Al-Au +mp-30387,HoAu4,-4.134427706,-0.5988403320000001,0.0,-0.017430855,GGA,I4/m,A4B_tI10_87_h_a:Au-Ho,5.0,A4B_tI10_87_h_a:Au-Ho +mp-16621,HoAl7Au3,-4.1993409732,-0.5063331841,0.0,-0.0323687881,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Ho,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Ho, expected HoAl13Au3 to be HoAl7Au3" +mp-2647,Al2Au,-4.0113999167,-0.4230553633,0.0,-0.1593633267,GGA,Fm-3m,A2B_cF12_225_c_a:Al-Au,3.0,A2B_cF12_225_c_a:Al-Au +mp-1228956,AlAu4,-3.5074068460000003,-0.13918608,0.0717559805,0.0563177128,GGA,C2/m,AB4_mC10_12_a_2i:Al-Au,5.0,"Invalid WP multiplicities - AB4_mC10_12_a_3i:Al-Au, expected AlAu6 to be AlAu4" +mp-1490,AlAu4,-3.5791628265,-0.2109420605,0.0,-0.0154382677,GGA,P2_13,AB4_cP20_198_a_ab:Al-Au,20.0,AB4_cP20_198_a_ab:Al-Au +mp-1096592,Hf2ZnFe,-4.3265598425,3.0844758775,3.3307250472,3.3307250472,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Hf-Zn,4.0,AB2C_oI8_71_a_e_b:Fe-Hf-Zn +mp-1186266,Nd3Dy,-4.6996596625,0.0281476219,0.0281476219,0.0281476219,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Nd,8.0,AB3_hP8_194_c_h:Dy-Nd +mp-1186262,Nd3Dy,-4.7191287175,0.0086785669,0.0086785669,0.0086785669,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Nd,4.0,AB3_cP4_221_a_c:Dy-Nd +mp-1220129,NdDy,-4.6428787117,0.0445884246,0.0445884246,0.0445884246,GGA,R3m,AB_hR18_160_3a_3a:Dy-Nd,6.0,AB_hR18_160_3a_3a:Dy-Nd +mp-1186297,NdDyZn2,-3.2985650275,-0.3249596544,0.0057517475,0.0057517475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Nd-Zn +mp-1186301,NdDy3,-4.6239267375,0.0232002506,0.0232002506,0.0232002506,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Nd,4.0,A3B_tI8_139_ad_b:Dy-Nd +mp-974325,NdDy3,-4.6260637188,0.0210632694,0.0210632694,0.0210632694,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Nd,8.0,A3B_hP8_194_h_c:Dy-Nd +mp-975388,NdDy3,-4.628451355,0.0186756331,0.0186756331,0.0186756331,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Nd,4.0,A3B_cP4_221_c_a:Dy-Nd +mp-1079180,HoPt,-6.6226645962,-1.2958935013,0.0,-0.0873472223,GGA,Pnma,AB_oP8_62_c_c:Ho-Pt,8.0,AB_oP8_62_c_c:Ho-Pt +mp-607111,AlPt3,-6.1822597256,-0.6925157781,0.0,-0.0523853775,GGA,P4/mbm,AB3_tP16_127_f_egh:Al-Pt,16.0,"Invalid WP multiplicities - AB3_tP16_127_f_2egh:Al-Pt, expected AlPt4 to be AlPt3" +mp-1079182,AlPt3,-6.1687346313,-0.6789906838,0.0135250944,-0.0388602831,GGA,P4/mbm,AB3_tP8_127_c_bg:Al-Pt,8.0,AB3_tP8_127_c_bg:Al-Pt +mp-1182870,AlPt3,-5.9980548294,-0.5083108819000001,0.1842048963,0.1318195188,GGA,P4/mbm,AB3_tP16_127_f_egh:Al-Pt,16.0,"Invalid WP multiplicities - AB3_tP16_127_f_3e2g4h:Al-Pt, expected AlPt9 to be AlPt3" +mp-1080448,AlPt3,-6.17984488,-0.6901009325,0.0024148456,-0.0499705319,GGA,I4/mcm,AB3_tI16_140_b_ah:Al-Pt,8.0,AB3_tI16_140_b_ah:Al-Pt +mp-188,AlPt3,-6.1701995,-0.6804555525,0.0120602256,-0.0403251519,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Pt,4.0,AB3_cP4_221_a_c:Al-Pt +mp-1982,Al21Pt8,-5.1436520936,-0.7565431629,0.0,-0.0167144871,GGA,I4_1/a,A21B8_tI116_88_a5f_2f:Al-Pt,58.0,A21B8_tI116_88_a5f_2f:Al-Pt +mp-10905,Al3Pt2,-5.670163068,-0.994364242,0.0,-0.0410187305,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Pt,5.0,A3B2_hP5_164_ad_d:Al-Pt +mp-569916,Al3Pt2,-5.314298805,-0.638499979,0.355864263,0.3148455325,GGA,P-3m1,A3B2_hP10_164_abcd_2d:Al-Pt,10.0,"Invalid WP multiplicities - A3B2_hP10_164_abcd_4d:Al-Pt, expected Al3Pt4 to be Al3Pt2" +mp-1212276,Ho4Pt,-4.911852902,-0.031699142,0.5426797845,0.5426797845,GGA,Fd-3m,A4B_cF40_227_e_a:Ho-Pt,10.0,A4B_cF40_227_e_a:Ho-Pt +mp-1212326,Ho4(Al8Pt3)3,-5.3084750149,-0.9067546019,0.0,-0.1015449138,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Ho-Pt,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Ho-Pt +mp-1183175,Al3Pt,-4.76746728,-0.4405020775,0.2451151639,0.2451151639,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Pt,4.0,A3B_tI8_139_ad_b:Al-Pt +mp-1102104,Ho2Pt,-6.0357953367,-0.9571449833,0.0,-0.0388212915,GGA,Pnma,A2B_oP12_62_2c_c:Ho-Pt,12.0,A2B_oP12_62_2c_c:Ho-Pt +mp-1501,Al3Pt5,-6.1068157313,-0.90776647,0.0,-0.0070299934,GGA,Pbam,A3B5_oP16_55_ah_cgh:Al-Pt,16.0,A3B5_oP16_55_ah_cgh:Al-Pt +mp-1103863,Ho3Pt4,-6.6742827764,-1.2411742207,0.0,-0.0227337063,GGA,R-3,A3B4_hR42_148_f_abf:Ho-Pt,14.0,A3B4_hR42_148_f_abf:Ho-Pt +mp-2579,HoPt2,-6.6779059683,-1.1030141317,0.0227647967,0.0227647967,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Pt,6.0,AB2_cF24_227_a_d:Ho-Pt +mp-16960,AlPt2,-6.1483533533,-0.8524058633,0.0011013375,-0.016389624,GGA,Pmma,AB2_oP24_51_bei_dei2j:Al-Pt,24.0,"Invalid WP multiplicities - AB2_oP24_51_bei_dei3j:Al-Pt, expected Al2Pt5 to be AlPt2" +mp-16526,AlPt2,-6.1494546908,-0.8535072008,0.0,-0.0174909615,GGA,Pnma,AB2_oP12_62_c_2c:Al-Pt,12.0,AB2_oP12_62_c_2c:Al-Pt +mp-1103032,HoAlPt,-5.9607766442,-1.1610706375,0.0,-0.1215899097,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ho-Pt,12.0,ABC_oP12_62_c_c_c:Al-Ho-Pt +mp-1189141,Ho5Pt3,-6.1591792475,-1.0184987087,0.0234052774,0.0234052774,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Pt,16.0,A5B3_hP16_193_dg_g:Ho-Pt +mp-1502,Al2Pt,-5.41472131,-0.89395965,0.0,-0.0273141356,GGA,Fm-3m,A2B_cF12_225_c_a:Al-Pt,3.0,A2B_cF12_225_c_a:Al-Pt +mp-10904,AlPt,-5.9507788787,-1.0424243037,0.0,-0.0865479604,GGA,P2_13,AB_cP8_198_a_a:Al-Pt,8.0,AB_cP8_198_a_a:Al-Pt +mp-10903,AlPt,-5.8400464,-0.931691825,0.1107324787,0.0241845183,GGA,Pm-3m,AB_cP2_221_a_b:Al-Pt,2.0,AB_cP2_221_a_b:Al-Pt +mp-195,HoPt3,-6.723760255,-1.0248080475,0.0,-0.1975474487,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Pt,4.0,AB3_cP4_221_a_c:Ho-Pt +mp-1198999,Ho5Pt4,-6.4272331719,-1.1831689908,0.0,-0.0001916622,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ho-Pt,36.0,A5B4_oP36_62_c2d_2cd:Ho-Pt +mp-1215027,Al21Pt5,-4.4178611014,-0.2250626772,0.3023352008,0.3023352008,GGA,F-43m,A21B5_cF416_216_6efg4h_2efg:Al-Pt,104.0,A21B5_cF416_216_6efg4h_2efg:Al-Pt +mp-1188476,Ho3Pt,-5.6725636406,-0.7179736581,0.0,-0.0001149206,GGA,Pnma,A3B_oP16_62_cd_c:Ho-Pt,16.0,A3B_oP16_62_cd_c:Ho-Pt +mp-1183711,Ce3Ti,-6.255128935,0.1685609354,0.1685609354,0.1685609354,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Ti,4.0,A3B_cP4_221_c_a:Ce-Ti +mp-20680,Ce4Sb3,-6.166660365,-1.006751745,0.0011583893,0.0011583893,GGA,I-43d,A4B3_cI28_220_c_a:Ce-Sb,14.0,A4B3_cI28_220_c_a:Ce-Sb +mp-569837,Ti3Sb,-7.3263481006,-0.3724787781,0.0552978769,0.0267338623,GGA,I4/mcm,AB3_tI32_140_h_abk:Sb-Ti,16.0,"Invalid WP multiplicities - AB3_tI32_140_h_2ab3k:Sb-Ti, expected Ti15Sb2 to be Ti3Sb" +mp-1412,Ti3Sb,-7.3816459775,-0.427776655,0.0,-0.0285640146,GGA,Pm-3n,AB3_cP8_223_a_c:Sb-Ti,8.0,AB3_cP8_223_a_c:Sb-Ti +mp-2187,TiSb,-6.5676784375,-0.5554318092,0.0,-0.0112264946,GGA,P6_3/mmc,AB_hP4_194_c_a:Sb-Ti,4.0,AB_hP4_194_c_a:Sb-Ti +mp-569640,TiSb,-6.2784292950000005,-0.2661826667,0.2892491425,0.2780226479,GGA,P6_3/mmc,AB_hP4_194_a_c:Sb-Ti,4.0,AB_hP4_194_a_c:Sb-Ti +mp-568,TiSb2,-5.9034919083,-0.5189937428,0.0,-0.14870587,GGA,I4/mcm,A2B_tI12_140_h_a:Sb-Ti,6.0,A2B_tI12_140_h_a:Sb-Ti +mp-22033,Ti5Sb3,-7.0461719688,-0.5631139933,0.0,-0.0250434006,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Ti,32.0,A3B5_oP32_62_cd_3cd:Sb-Ti +mp-1217255,Ti13Sb3,-7.4715625269,-0.2822875308,0.0385449604,0.0385449604,GGA,Pmm2,A3B13_oP16_25_abc_abc2d2e2f:Sb-Ti,16.0,"Invalid WP multiplicities - A3B13_oP16_25_abc_abc2d4e4f:Sb-Ti, expected Ti7Sb to be Ti13Sb3" +mp-1206780,Ti2Sb,-7.1722786117,-0.5322835206000001,0.0,-0.0142819733,GGA,I4/mmm,AB2_tI12_139_e_ce:Sb-Ti,6.0,AB2_tI12_139_e_ce:Sb-Ti +mp-1183738,CeSb3,-5.27805106,-0.6980278413000001,0.0,-0.0203899775,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Sb,4.0,AB3_cP4_221_a_c:Ce-Sb +mp-1188999,Ce5Sb3,-6.1364884869,-0.8799323,0.0181257444,0.0181257444,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ce-Sb,16.0,A5B3_hP16_193_dg_g:Ce-Sb +mp-22678,Ce2Sb,-6.1443440467,-0.81261753,0.0,-0.029588395,GGA,I4/mmm,A2B_tI12_139_ce_e:Ce-Sb,6.0,A2B_tI12_139_ce_e:Ce-Sb +mp-1213815,Ce3TiSb5,-6.1611017428,-1.0122388893,0.0,-0.0696545833,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Ce-Sb-Ti,18.0,A3B5C_hP18_193_g_dg_b:Ce-Sb-Ti +mp-21140,CeSb,-5.991607855,-0.9605626575,0.19381693,0.0152187095,GGA,P4/mmm,AB_tP2_123_a_d:Ce-Sb,2.0,AB_tP2_123_a_d:Ce-Sb +mp-387,CeSb,-6.185424785,-1.1543795875,0.0,-0.1785982205,GGA,Fm-3m,AB_cF8_225_a_b:Ce-Sb,2.0,AB_cF8_225_a_b:Ce-Sb +mp-1102986,CeSb2,-5.63388103,-0.9035171517,0.0,-0.0533720617,GGA,Cmce,AB2_oC24_64_f_ef:Ce-Sb,12.0,AB2_oC24_64_f_ef:Ce-Sb +mp-1187528,TiSb3,-5.0506024175,0.0200215167,0.4092668238,0.4092668238,GGA,I4/mmm,A3B_tI8_139_ad_b:Sb-Ti,4.0,A3B_tI8_139_ad_b:Sb-Ti +mp-7576,CrSi,-7.7945293275,-0.2553465775,0.068759559,0.068759559,GGA,P2_13,AB_cP8_198_a_a:Cr-Si,8.0,AB_cP8_198_a_a:Cr-Si +mp-2783,Ta2Si,-10.2464216817,-0.5327972517,0.0016131518,0.0016131518,GGA,I4/mcm,AB2_tI12_140_a_h:Si-Ta,6.0,AB2_tI12_140_a_h:Si-Ta +mp-570963,TaCr2,-10.4892776025,-0.1013200792,0.0127920158,-0.1013200792,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cr-Ta,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Cr-Ta, expected TaCr4 to be TaCr2" +mp-2385,TaCr2,-10.5020696183,-0.114112095,0.0,-0.114112095,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Ta,6.0,A2B_cF24_227_c_b:Cr-Ta +mp-1218071,Ta3Cr8Si,-9.9210055467,-0.0690863233,0.1429783675,0.1429783675,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Cr-Si-Ta,12.0,A8BC3_hP12_156_2b2d_a_a2c:Cr-Si-Ta +mp-1105936,Cr3Si5,-6.8062575238,0.2044590462,0.5291665404,0.5291665404,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Cr-Si,16.0,A3B5_tI32_140_ah_bk:Cr-Si +mp-568646,Ta3Si,-10.6705500578,-0.4208873278,0.0,-0.0212893891,GGA,P4_2/n,AB3_tP32_86_g_3g:Si-Ta,32.0,"Invalid WP multiplicities - AB3_tP32_86_g_17g:Si-Ta, expected Ta17Si to be Ta3Si" +mp-1200627,Ta3(CrSi)8,-8.6004633646,-0.3793972125,0.011950297,0.011950297,GGA,Pnma,A8B8C3_oP76_62_4c2d_6cd_3c:Cr-Si-Ta,76.0,A8B8C3_oP76_62_4c2d_6cd_3c:Cr-Si-Ta +mp-8937,CrSi2,-7.1594691233,-0.3249079467,0.0,-0.154676895,GGA,I4/mmm,AB2_tI6_139_a_e:Cr-Si,3.0,AB2_tI6_139_a_e:Cr-Si +mp-1222,CrSi2,-7.1465159289,-0.3119547522,0.0129531944,-0.1417237006,GGA,P6_222,AB2_hP9_180_c_i:Cr-Si,9.0,AB2_hP9_180_c_i:Cr-Si +mp-11191,CrSi2,-7.1465241522,-0.3119629756,0.0129449711,-0.1417319239,GGA,P6_422,AB2_hP9_181_c_i:Cr-Si,9.0,AB2_hP9_181_c_i:Cr-Si +mp-729,Cr3Si,-8.9190185312,-0.3229034213,0.0,-0.1358026642,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Si,8.0,A3B_cP8_223_c_a:Cr-Si +mp-1218008,Ta2Cr3Si,-10.0504092842,-0.3670733342,0.0,-0.0677676232,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cr-Si-Ta,12.0,A3BC2_hP12_194_h_a_f:Cr-Si-Ta +mp-1989,Ta5Si3,-10.0367772213,-0.5911719413000001,0.0,-0.0712146109,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Si-Ta,16.0,A3B5_tI32_140_ah_cl:Si-Ta +mp-570287,Ta5Si3,-9.9866354669,-0.5410301869,0.0501417544,-0.0210728565,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Si-Ta,16.0,"Invalid WP multiplicities - A3B5_tI32_140_2a3h_2b3k:Si-Ta, expected Ta7Si4 to be Ta5Si3" +mp-10203,Ta5Si3,-9.9225899781,-0.4769846981,0.1141872431,0.0429726322,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Ta,16.0,A3B5_hP16_193_g_dg:Si-Ta +mp-517,TaSi2,-7.9995433567,-0.4300721267,5.7544e-06,-0.1147804247,GGA,P6_222,A2B_hP9_180_i_c:Si-Ta,9.0,A2B_hP9_180_i_c:Si-Ta +mp-11192,TaSi2,-7.9995491111,-0.4300778811,0.0,-0.1147861791,GGA,P6_422,A2B_hP9_181_i_c:Si-Ta,9.0,A2B_hP9_181_i_c:Si-Ta +mp-1217990,Ta2CrSi6,-7.6573800111,-0.3328787989,0.0621424374,0.0621424374,GGA,C222,AB6C2_oC18_21_a_el_k:Cr-Si-Ta,9.0,"Invalid WP multiplicities - AB6C2_oC18_21_a_2e2l_k:Cr-Si-Ta, expected Ta2CrSi12 to be Ta2CrSi6" +mp-1217999,TaCr4Si,-9.2942609642,0.0216199592,0.3127911,0.3127911,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Cr-Si-Ta,12.0,A4BC_hP12_164_abi_d_d:Cr-Si-Ta +mp-7506,Cr5Si3,-8.3483000656,-0.2806511356,0.0428536432,0.0428536432,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Cr-Si,16.0,A5B3_tI32_140_bk_ah:Cr-Si +mp-1208441,Ta4Cr,-10.037216048,1.37961555,1.4138491785,1.4138491785,GGA,Fd-3m,AB4_cF40_227_a_e:Cr-Ta,10.0,AB4_cF40_227_a_e:Cr-Ta +mp-1218263,Ta4Cr7Si8,-8.7372932687,-0.4001886871,0.0136992151,0.0136992151,GGA,Pnma,A7B8C4_oP76_62_3c2d_6cd_4c:Cr-Si-Ta,76.0,A7B8C4_oP76_62_3c2d_6cd_4c:Cr-Si-Ta +mp-505630,Ta2Cr4Si5,-8.2438770645,-0.1116647655,0.2900895064,0.2900895064,GGA,Ibam,A4B5C2_oI44_72_2j_a2j_f:Cr-Si-Ta,22.0,A4B5C2_oI44_72_2j_a2j_f:Cr-Si-Ta +mp-1185271,LiPa,-5.43266773,0.2791260333,0.2791260333,0.2791260333,GGA,P-6m2,AB_hP2_187_a_d:Li-Pa,2.0,AB_hP2_187_a_d:Li-Pa +mp-865029,LiPaRu2,-7.830612135,-0.3375139833,0.0,-0.3375139833,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Li-Pa-Ru +mp-862944,Er2CuRu,-6.012903715,-0.3856420075,0.0,-0.0402468025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Ru +mp-1189274,Er3Ru,-6.0987811,-0.3543913575,0.0,-0.0119986275,GGA,Pnma,A3B_oP16_62_cd_c:Er-Ru,16.0,A3B_oP16_62_cd_c:Er-Ru +mp-31198,Er3Ru2,-6.760829047,-0.310436745,0.07225458,0.07225458,GGA,P6_3/m,A3B2_hP10_176_h_bc:Er-Ru,10.0,A3B2_hP10_176_h_bc:Er-Ru +mp-1190026,Er3Ru2,-6.098331589,0.352060713,0.734752038,0.734752038,GGA,I-43d,A3B2_cI40_220_ab_c:Er-Ru,20.0,A3B2_cI40_220_ab_c:Er-Ru +mp-1184121,CuRu3,-7.70573079,0.2748727825,0.2748727825,0.2748727825,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Ru,4.0,AB3_tI8_139_a_bd:Cu-Ru +mp-1103691,Er5Ru2,-6.3037915671,-0.3913059771,0.0,-0.0362118386,GGA,C2/c,A5B2_mC28_15_e2f_f:Er-Ru,14.0,A5B2_mC28_15_e2f_f:Er-Ru +mp-1184026,Cu3Ru,-5.1202523212,0.2727533163,0.2727533163,0.2727533163,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Ru,8.0,A3B_hP8_194_h_c:Cu-Ru +mp-569220,ErRu2,-8.0680984333,-0.36259047,0.0,-0.179981014,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Ru,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Er-Ru, expected ErRu4 to be ErRu2" +mp-984705,ErRu3,-7.9679287475,0.12980286,0.4017457125,0.4017457125,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Ru,4.0,AB3_tI8_139_a_bd:Er-Ru +mp-1184213,ErRu3,-7.9788057575,0.11892585,0.3908687025,0.3908687025,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Ru,4.0,AB3_cP4_221_a_c:Er-Ru +mp-1187593,Tl3As,-2.8823796738,0.0543822875,0.0543822875,0.0543822875,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Tl,8.0,AB3_hP8_194_c_h:As-Tl +mp-1007770,TlAs,-3.39419375,0.1166870258,0.1166870258,0.1166870258,GGA,F-43m,AB_cF8_216_a_c:As-Tl,2.0,AB_cF8_216_a_c:As-Tl +mp-11553,TlPt,-3.70090039,0.5159878433,0.6023486286,0.6023486286,GGA,P6/mmm,AB_hP6_191_ad_f:Pt-Tl,6.0,AB_hP6_191_ad_f:Pt-Tl +mp-1079689,Tl3Pt,-3.1343361875,0.1554295025,0.1986098951,0.1986098951,GGA,Pm-3n,AB3_cP8_223_a_c:Pt-Tl,8.0,AB3_cP8_223_a_c:Pt-Tl +mp-1183320,AsPt3,-5.6702305063,0.047899085,0.2419906309,0.2419906309,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Pt,8.0,AB3_hP8_194_c_h:As-Pt +mp-1183186,AsPt3,-5.66175799,0.0563716013,0.2504631472,0.2504631472,GGA,Pm-3m,AB3_cP4_221_a_c:As-Pt,4.0,AB3_cP4_221_a_c:As-Pt +mp-1025353,TlAsPt5,-5.4709834629,-0.1313508698,0.0165703502,0.0165703502,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:As-Pt-Tl,7.0,AB5C_tP7_123_b_ai_c:As-Pt-Tl +mp-30853,Tl2Pt3,-4.691370193,-0.1036329423,0.0,-0.072969726,GGA,P6_3/mmc,A3B2_hP20_194_k_bcf:Pt-Tl,20.0,A3B2_hP20_194_k_bcf:Pt-Tl +mp-571160,Tl2Pt,-3.6499118983,-0.0511053606,0.0064684963,0.0064684963,GGA,I4/mcm,AB2_tI12_140_a_h:Pt-Tl,6.0,AB2_tI12_140_a_h:Pt-Tl +mp-1101251,Tl2Pt,-3.58713666,0.0116698778,0.0692437346,0.0692437346,GGA,I4/mcm,AB2_tI12_140_c_h:Pt-Tl,6.0,AB2_tI12_140_c_h:Pt-Tl +mp-2513,As2Pt,-5.6473674992,-0.5175774558,0.0,-0.5175774558,GGA,Pa-3,A2B_cP12_205_c_a:As-Pt,12.0,A2B_cP12_205_c_a:As-Pt +mp-865374,Tm2OsPd,-6.9743047675,-0.6345747458000001,0.0125314823,0.0125314823,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Pd-Tm,4.0,ABC2_cF16_225_a_b_c:Os-Pd-Tm +mp-1184930,HoLu3,-4.5338079338,0.0025071737,0.0025071737,0.0025071737,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Lu,8.0,AB3_hP8_194_c_h:Ho-Lu +mp-973689,Ho3Lu,-4.5593544512,0.0076898313,0.0076898313,0.0076898313,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Lu,8.0,A3B_hP8_194_h_c:Ho-Lu +mp-1184891,HoLuCu2,-4.60879002,-0.2833468375,0.0,-0.0395974281,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-Ho-Lu +mp-11572,TaTc,-11.606893315,-0.4976850275,0.0,-0.4976850275,GGA,Pm-3m,AB_cP2_221_a_b:Ta-Tc,2.0,AB_cP2_221_a_b:Ta-Tc +mp-1187396,Tc3Mo,-10.3628741925,0.1190175438,0.1190175438,0.1190175438,GGA,I4/mmm,AB3_tI8_139_a_bd:Mo-Tc,4.0,AB3_tI8_139_a_bd:Mo-Tc +mp-1217419,Tc3Mo,-10.3783446825,0.1035470538,0.1035470538,0.1035470538,GGA,P-6m2,AB3_hP4_187_a_bh:Mo-Tc,4.0,AB3_hP4_187_a_bh:Mo-Tc +mp-1187395,Tc3Mo,-10.3649493175,0.1169424187,0.1169424187,0.1169424187,GGA,Pm-3m,AB3_cP4_221_a_c:Mo-Tc,4.0,AB3_cP4_221_a_c:Mo-Tc +mp-977363,Ta2TcMo,-11.580882175,-0.3504210962,0.0,-0.04799232,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Ta-Tc,4.0,AB2C_cF16_225_a_c_b:Mo-Ta-Tc +mp-1217895,TaMo,-11.458886395,-0.107172525,0.0,-0.107172525,GGA,Cmmm,AB_oC4_65_a_c:Mo-Ta,2.0,AB_oC4_65_a_c:Mo-Ta +mp-1217398,TcMo,-10.495166875,0.1079776525,0.1079776525,0.1079776525,GGA,Cmmm,AB_oC4_65_a_c:Mo-Tc,2.0,AB_oC4_65_a_c:Mo-Tc +mp-30786,TmMn2,-7.5852182192,0.0147371167,0.0329286709,0.0329286709,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Tm,12.0,A2B_hP12_194_ah_f:Mn-Tm +mp-1192498,Tm6Mn23,-8.2141025131,-0.0216416766,0.0,-0.0049400864,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Tm,29.0,A23B6_cF116_225_ad2f_e:Mn-Tm +mp-1189245,Tm5Rh3,-6.3409237744,-0.7819111835,0.0,-0.046266196,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Rh-Tm,16.0,A3B5_hP16_193_g_dg:Rh-Tm +mp-30865,TmRh2,-7.1663673783,-0.7648836572000001,0.0,-0.06265114,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Tm,6.0,A2B_cF24_227_c_b:Rh-Tm +mp-11564,TmRh,-6.90093163,-0.9808599833,0.0,-0.2062463111,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Tm,2.0,AB_cP2_221_a_b:Rh-Tm +mp-980811,TmMn12,-8.8209785577,-0.0194386401,0.0,-0.0113923758,GGA,I4/mmm,A12B_tI26_139_fij_a:Mn-Tm,13.0,A12B_tI26_139_fij_a:Mn-Tm +mp-1187567,TmRh3,-7.2051085425,-0.5629187842,0.0107439588,0.0107439588,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Tm,4.0,A3B_cP4_221_c_a:Rh-Tm +mp-1208068,Tm4Rh,-4.9791515440000005,0.0743783687,0.4913976666,0.4913976666,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Tm,10.0,AB4_cF40_227_a_e:Rh-Tm +mp-978995,TmMnRh2,-7.65671552,-0.5650989061,0.014488595,0.014488595,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Tm +mp-542632,GdNi,-10.338368395,-0.410238935,0.0,-0.0998133688,GGA,Cmcm,AB_oC8_63_c_c:Gd-Ni,4.0,AB_oC8_63_c_c:Gd-Ni +mp-1106250,Gd5Pb3,-10.7421493631,-0.5523303119,0.0,-0.3857649356,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Gd-Pb,16.0,A5B3_hP16_193_dg_g:Gd-Pb +mp-580102,Gd2Ni17,-6.8420031524,-0.1886048345,0.0072831582,0.0072831582,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Gd-Ni,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_4f4g8j9k:Gd-Ni, expected GdNi61 to be Gd2Ni17" +mp-669713,Gd2Ni7,-7.9935457522,-0.3698567256,0.0,-0.0108563094,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Gd-Ni,18.0,"Invalid WP multiplicities - A2B7_hR54_166_4c_a4c2d4h:Gd-Ni, expected Gd8Ni39 to be Gd2Ni7" +mp-1212834,GdNiPb,-8.2658358658,-0.4095338692,0.0,-0.0049936846,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ni-Pb,12.0,ABC_oP12_62_c_c_c:Gd-Ni-Pb +mp-21305,GdNi5,-7.4729569283,-0.3101559883,0.0,-0.026393911,GGA,P6/mmm,AB5_hP6_191_a_cg:Gd-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Gd-Ni, expected GdNi8 to be GdNi5" +mp-543019,GdNi2,-8.959365955,-0.413900755,0.0,-0.0215393567,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Ni,6.0,AB2_cF24_227_a_d:Gd-Ni +mp-1101986,GdNi3,-8.2375557,-0.38342263,0.0,-0.0025548971,GGA,R-3m,AB3_hR36_166_ac_bch:Gd-Ni,12.0,AB3_hR36_166_ac_bch:Gd-Ni +mp-1076927,GdPb3,-6.636646615,-0.3331307525,0.0,-0.1121986278,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Pb,4.0,AB3_cP4_221_a_c:Gd-Pb +mp-1105962,La5Bi3,-5.3646860769,-0.8394982125,0.0111943669,0.0111943669,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-La,16.0,A3B5_hP16_193_g_dg:Bi-La +mp-867248,LaBi3,-4.7081567125,-0.5937880888,0.0,-0.057694275,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-La,4.0,A3B_cP4_221_c_a:Bi-La +mp-22926,LaBi,-5.460435745,-1.0721876275,0.0,-0.2117698039,GGA,Fm-3m,AB_cF8_225_a_b:Bi-La,2.0,AB_cF8_225_a_b:Bi-La +mp-1077063,La2Bi,-5.3476953433,-0.7768608967,0.0,-0.0306402633,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-La,6.0,AB2_tI12_139_e_ce:Bi-La +mp-23187,La4Bi3,-5.4030971493,-0.9365977479,0.0090212807,0.0090212807,GGA,I-43d,A3B4_cI28_220_a_c:Bi-La,14.0,A3B4_cI28_220_a_c:Bi-La +mp-1223101,La8(BiSb)3,-5.6128942214,-1.0845707964,0.0,-0.00349272,GGA,C2,A3B8C3_mC28_5_ac_4c_bc:Bi-La-Sb,14.0,"Invalid WP multiplicities - A3B8C3_mC28_5_ac_7c_bc:Bi-La-Sb, expected La14(BiSb)3 to be La8(BiSb)3" +mp-1227319,Bi3Sb,-4.00695934,-0.0943421825,0.0,-0.03152492,GGA,R3m,A3B_hR12_160_3a_a:Bi-Sb,4.0,A3B_hR12_160_3a_a:Bi-Sb +mp-1227290,BiSb,-4.11037971,-0.125634525,0.0,-0.0627397367,GGA,R3m,AB_hR6_160_a_a:Bi-Sb,2.0,AB_hR6_160_a_a:Bi-Sb +mp-7317,Sm5Co2,-5.5053279543,-0.103961345,0.0,-0.0055898723,GGA,C2/c,A2B5_mC28_15_f_e2f:Co-Sm,14.0,A2B5_mC28_15_f_e2f:Co-Sm +mp-980752,Sm3Co,-5.4146620806,-0.0986430306,0.0,-0.0076768538,GGA,Pnma,AB3_oP16_62_c_cd:Co-Sm,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_3c2d:Co-Sm, expected Sm7Co to be Sm3Co" +mp-1429,SmCo5,-6.7762270533,-0.0661978683,0.0161054189,0.0161054189,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Sm,6.0,A5B_hP6_191_cg_a:Co-Sm +mp-1219301,Sm(Co5Mo)2,-7.5089869392,-0.0095204542,0.0573842638,0.0573842638,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Co-Mo-Sm,13.0,A10B2C_oI26_71_efhk_g_a:Co-Mo-Sm +mp-1106043,Sm2Co7,-6.62159834,-0.044332025,0.047632467,0.047632467,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Sm,18.0,A7B2_hR54_166_a2cdh_2c:Co-Sm +mp-540547,Sm2Co7,-6.6620670736,-0.0848007586,0.0071637334,0.0071637334,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Co-Sm,36.0,A7B2_hP36_194_aefhk_2f:Co-Sm +mp-1105544,Sm2Co17,-6.9254794621,-0.0687123682,0.0,-0.0224678056,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Sm,19.0,A17B2_hR57_166_cdfh_c:Co-Sm +mp-1200096,Sm2Co17,-6.9226536137,-0.0658865197,0.0028258484,-0.0196419572,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Sm,38.0,A17B2_hP38_194_fgjk_bc:Co-Sm +mp-1094061,SmCo12,-6.7539395138,0.1705527688,0.2207656533,0.2207656533,GGA,I4/mmm,A12B_tI26_139_hij_a:Co-Sm,13.0,A12B_tI26_139_hij_a:Co-Sm +mp-336,SmCo2,-6.40721543,-0.095474855,0.0,-0.0008768217,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Sm,6.0,A2B_cF24_227_c_b:Co-Sm +mp-1101053,SmCo3,-6.5402680292,-0.0293831492,0.0634589336,0.0634589336,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Sm,12.0,A3B_hR36_166_ach_bc:Co-Sm +mp-1211328,Sm4Co,-4.8961396,0.300392867,0.3793072915,0.3793072915,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Sm,10.0,AB4_cF40_227_a_e:Co-Sm +mp-1191306,Sm5Co19,-6.7019827292,-0.0915256967,0.0,-0.0086354344,GGA,R-3m,A19B5_hR72_166_a3c2h_b2c:Co-Sm,24.0,A19B5_hR72_166_a3c2h_b2c:Co-Sm +mp-1197433,Sm5Co19,-6.6595597067,-0.0491026742,0.0424230225,0.0337875881,GGA,P6_3/mmc,A19B5_hP48_194_abcef2k_d2f:Co-Sm,48.0,A19B5_hP48_194_abcef2k_d2f:Co-Sm +mp-2685,HgPd,-2.911492435,-0.1697113475,0.0,-0.0741914108,GGA,P4/mmm,AB_tP2_123_a_d:Hg-Pd,2.0,AB_tP2_123_a_d:Hg-Pd +mp-8675,HgPd,-2.8390049675,-0.09722388,0.0724874675,-0.0017039433,GGA,P2_13,AB_cP8_198_a_a:Hg-Pd,8.0,AB_cP8_198_a_a:Hg-Pd +mp-1184702,Hg3Pd,-1.4795321412,0.043198585,0.1280542587,0.1280542587,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Pd,8.0,A3B_hP8_194_h_c:Hg-Pd +mp-974617,Hg3Pd,-1.4635532,0.0591775263,0.1440332,0.1440332,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Pd,4.0,A3B_cP4_221_c_a:Hg-Pd +mp-30721,Hg5Pd2,-1.7567484429,-0.059867665,0.0371102479,0.0371102479,GGA,P4/mbm,A5B2_tP14_127_cj_g:Hg-Pd,14.0,A5B2_tP14_127_cj_g:Hg-Pd +mp-30826,Pd13Pb9,-4.8354096689,-0.2557602525,0.0195480534,0.0195480534,GGA,C2/c,A9B13_mC88_15_e4f_e6f:Pb-Pd,44.0,"Invalid WP multiplicities - A9B13_mC88_15_2e12f_2e24f:Pb-Pd, expected Pd25Pb13 to be Pd13Pb9" +mp-20849,Pd3Pb,-5.1130057125,-0.2999325875,0.0,-0.1436346554,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Pd,4.0,AB3_cP4_221_a_c:Pb-Pd +mp-1210215,PdPb,-4.7075017278,-0.2612372878,0.0,-0.0182765588,GGA,P-1,AB_aP32_2_8i_8i:Pb-Pd,32.0,AB_aP32_2_8i_8i:Pb-Pd +mp-1096631,HgPd2Pb,-2.4623138225,1.1317089412,1.3471832589,1.3471832589,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Hg-Pb-Pd +mp-1184658,HgPd3,-4.0979457025,-0.1371142537,0.0,-0.05225858,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Pd,4.0,AB3_tI8_139_a_bd:Hg-Pd +mp-977129,HgPd3,-4.0740912363,-0.1132597875,0.0238544662,-0.0284041137,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Pd,8.0,AB3_hP8_194_c_h:Hg-Pd +mp-863720,HgPd3,-4.077983355,-0.1171519062,0.0199623475,-0.0322962325,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Pd,4.0,AB3_cP4_221_a_c:Hg-Pd +mp-1186443,PdPb3,-4.0562692725,0.0231864825,0.1769211,0.1769211,GGA,I4/mmm,A3B_tI8_139_ad_b:Pb-Pd,4.0,A3B_tI8_139_ad_b:Pb-Pd +mp-20599,PdPb2,-4.4067048067,-0.20497949,0.0,-0.0308212981,GGA,I4/mcm,A2B_tI12_140_h_a:Pb-Pd,6.0,A2B_tI12_140_h_a:Pb-Pd +mp-27641,CsBr3,-2.8335765862,-1.4449547457,0.0,-0.3975306062,GGA,Pnma,A3B_oP16_62_3c_c:Br-Cs,16.0,A3B_oP16_62_3c_c:Br-Cs +mp-1059765,CoBr,-3.946220385,0.3844526775,0.9335108713,0.9335108713,GGA,P6/mmm,AB_hP2_191_a_b:Br-Co,2.0,AB_hP2_191_a_b:Br-Co +mp-22906,CsBr,-3.2786994,-2.054484049,0.04036423,-1.0911808851,GGA,Pm-3m,AB_cP2_221_a_b:Br-Cs,2.0,AB_cP2_221_a_b:Br-Cs +mp-571222,CsBr,-3.31906363,-2.094848279,0.0,-1.1315451151,GGA,Fm-3m,AB_cF8_225_a_b:Br-Cs,2.0,AB_cF8_225_a_b:Br-Cs +mp-30033,CoBr2,-4.1368690767,-0.7320775917,0.0,-0.7320775917,GGA,P-3m1,A2B_hP3_164_d_a:Br-Co,3.0,A2B_hP3_164_d_a:Br-Co +mp-1214168,Cs2CoBr4,-3.7407087675,-1.5819607876,0.0,-0.0220203932,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Br-Co-Cs,28.0,A4BC2_oP28_62_2cd_c_2c:Br-Co-Cs +mp-29287,Cs3CoBr5,-3.6489915906,-1.6979175282,0.0,-0.0019817425,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Br-Co-Cs,18.0,"Invalid WP multiplicities - A5BC3_tI36_140_2c3l_b_2ah:Br-Co-Cs, expected Cs4CoBr14 to be Cs3CoBr5" +mp-2391,YbPd3,-4.966522115,-0.6967086875,0.0,-0.2150719371,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Yb,,A3B_cP4_221_c_a:Pd-Yb +mp-1063517,YbPd2,-4.4968376033,-0.5303803033,0.2265070637,0.2265070637,GGA,I4/mmm,A2B_tI6_139_d_a:Pd-Yb,,A2B_tI6_139_d_a:Pd-Yb +mp-1087494,YbPdPb,-4.1767059556,-0.6993269022,0.0,-0.0769540122,GGA,P-62m,ABC_hP9_189_f_bc_g:Pb-Pd-Yb,,ABC_hP9_189_f_bc_g:Pb-Pd-Yb +mp-1104397,Yb5Pd2,-3.1885658364,-0.608879405,0.0,-0.0313890575,GGA,C2/c,A2B5_mC28_15_f_e2f:Pd-Yb,,A2B5_mC28_15_f_e2f:Pd-Yb +mp-865816,YbPd2Pb,-4.5612210725,-0.65821633,0.0,-0.0327771018,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Yb,,AB2C_cF16_225_a_c_b:Pb-Pd-Yb +mp-1105057,Yb3Pd4,-4.4454275836,-0.8256630007,0.0,-0.0120564079,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Yb,,A4B3_hR42_148_abf_f:Pd-Yb +mp-1190258,Yb3Pd,-2.9800211088,-0.5303444462,0.0024250331,0.0024250331,GGA,Pnma,AB3_oP16_62_c_cd:Pd-Yb,,AB3_oP16_62_c_cd:Pd-Yb +mp-1079587,YbPd,-4.1941939775,-0.8344489325000001,0.0259168225,-0.0629818307,GGA,Pnma,AB_oP8_62_c_c:Pd-Yb,,AB_oP8_62_c_c:Pd-Yb +mp-2547,YbPd,-4.2201108,-0.860365755,0.0,-0.0888986532,GGA,Pm-3m,AB_cP2_221_a_b:Pd-Yb,,AB_cP2_221_a_b:Pd-Yb +mp-1186077,Na3Ce,-2.0343147425,0.4408515163,0.4408515163,0.4408515163,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Na,4.0,AB3_cP4_221_a_c:Ce-Na +mp-1186065,Na3Ce,-2.010767885,0.4643983738,0.4643983738,0.4643983738,GGA,Fm-3m,AB3_cF16_225_a_bc:Ce-Na,4.0,AB3_cF16_225_a_bc:Ce-Na +mp-865080,NaCeAu2,-3.95439879,-0.5035541779,0.0,-0.0104721325,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Na,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Na +mp-1052,NaAu2,-3.0063422017,-0.3829124372,0.0,-0.1699362717,GGA,Fd-3m,A2B_cF24_227_c_b:Au-Na,6.0,A2B_cF24_227_c_b:Au-Na +mp-1210247,Na4Au,-1.676443495,0.0363531398,0.2062134884,0.2062134884,GGA,Fd-3m,AB4_cF40_227_a_e:Au-Na,10.0,AB4_cF40_227_a_e:Au-Na +mp-976765,Na3Au,-1.9943516575,-0.1839871874,0.0283382484,0.0283382484,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Na,4.0,AB3_tI8_139_a_bd:Au-Na +mp-1186030,Na3Au,-1.9871439888,-0.1767795187,0.0355459171,0.0355459171,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Na,8.0,AB3_hP8_194_c_h:Au-Na +mp-1186018,Na3Au,-1.994719635,-0.1843551649,0.0279702709,0.0279702709,GGA,Fm-3m,AB3_cF16_225_a_bc:Au-Na,4.0,AB3_cF16_225_a_bc:Au-Na +mp-1186109,NaAu3,-2.981487885,-0.1954450616,0.0917392663,0.0917392663,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Na,4.0,A3B_tI8_139_ad_b:Au-Na +mp-1186115,NaAu3,-2.9801853025,-0.1941424791,0.0930418488,0.0930418488,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Na,8.0,A3B_hP8_194_h_c:Au-Na +mp-1363,Na2Au,-2.25607811,-0.283100581,0.0,-0.0590339617,GGA,I4/mcm,AB2_tI12_140_a_h:Au-Na,6.0,AB2_tI12_140_a_h:Au-Na +mp-1186164,NaCe3,-4.35177218,0.4286760096,0.4286760096,0.4286760096,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Na,4.0,A3B_cP4_221_c_a:Ce-Na +mp-1200672,Sm5Pb4,-4.8384640611,-0.566961955,0.0,-0.0582683278,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Sm,36.0,A4B5_oP36_62_2cd_c2d:Pb-Sm +mp-1204969,Sm11Hg45,-1.3885770499,-0.2176830515,0.0842648418,0.0842648418,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Sm,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Sm +mp-867238,SmPb3,-4.3064100975,-0.3422782612,0.0,-0.0871453815,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Sm,4.0,A3B_cP4_221_c_a:Pb-Sm +mp-1062114,SmHg2,-2.1658659333,-0.3905503117,0.0231199267,-0.0445961535,GGA,C2/m,A2B_mC6_12_i_a:Hg-Sm,3.0,A2B_mC6_12_i_a:Hg-Sm +mp-1008777,SmHg2,-1.8669163367,-0.091600715,0.3220695233,0.2543534431,GGA,P-3m1,A2B_hP3_164_d_a:Hg-Sm,3.0,A2B_hP3_164_d_a:Hg-Sm +mp-1207109,SmHg2,-2.18898586,-0.4136702383,0.0,-0.0677160802,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Sm,3.0,A2B_hP3_191_c_b:Hg-Sm +mp-867879,SmHg3,-1.7917041262,-0.3842973188,0.0,-0.07404464,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Sm,8.0,A3B_hP8_194_h_c:Hg-Sm +mp-1179514,Sm5Pb3,-4.8878742869,-0.5465153013,0.0,-0.0681411517,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Sm,16.0,A3B5_hP16_193_g_dg:Pb-Sm +mp-978795,Sm3Hg,-3.76304492,-0.1481852275,0.0069411119,0.0069411119,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Sm,4.0,AB3_tI8_139_a_bd:Hg-Sm +mp-980429,Sm3Hg,-3.7690980475,-0.154238355,0.0008879844,0.0008879844,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Sm,8.0,AB3_hP8_194_c_h:Hg-Sm +mp-1187015,Sm2HgPb,-3.856128815,-0.4927538888,0.008545011,0.008545011,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pb-Sm,4.0,ABC2_cF16_225_a_b_c:Hg-Pb-Sm +mp-542570,AsSe,-4.4070968534,-0.3295819121,0.0049366132,0.0049366132,GGA,P2_1/c,AB_mP32_14_4e_4e:As-Se,32.0,AB_mP32_14_4e_4e:As-Se +mp-15650,AsRu,-7.228844885,-0.2620844125,0.0357589812,0.0357589812,GGA,Pnma,AB_oP8_62_c_c:As-Ru,8.0,AB_oP8_62_c_c:As-Ru +mp-1194350,As4Se3,-4.4407759043,-0.2801747539,0.0065554107,0.0065554107,GGA,Pnma,A4B3_oP28_62_2cd_cd:As-Se,28.0,A4B3_oP28_62_2cd_cd:As-Se +mp-1922,RuSe2,-6.1616372358,-0.7395620707,0.0,-0.7395620707,GGA,Pa-3,AB2_cP12_205_a_c:Ru-Se,12.0,AB2_cP12_205_a_c:Ru-Se +mp-766,As2Ru,-6.594670975,-0.397124525,0.0,-0.2224015833,GGA,Pnnm,A2B_oP6_58_g_a:As-Ru,6.0,A2B_oP6_58_g_a:As-Ru +mp-1214794,AsRuSe,-6.3834822275,-0.5736714199,0.0,-0.0053281221,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Ru-Se,12.0,ABC_mP12_14_e_e_e:As-Ru-Se +mp-1078443,As2Se3,-4.362616479,-0.4014222304,0.0,-0.1377567007,GGA,C2/m,A2B3_mC20_12_2i_3i:As-Se,10.0,A2B3_mC20_12_2i_3i:As-Se +mp-909,As2Se3,-4.3578164625,-0.3966222139,0.0048000165,-0.1329566842,GGA,P2_1/c,A2B3_mP20_14_2e_3e:As-Se,20.0,A2B3_mP20_14_2e_3e:As-Se +mp-1228838,As2Se,-4.35947085,-0.0880880874,0.1349242628,0.1349242628,GGA,I4_1/amd,A2B_tI12_141_c_b:As-Se,6.0,A2B_tI12_141_c_b:As-Se +mp-18192,Sr3Sn5,-3.7048986088,-0.5653561544,0.0,-0.0226234912,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Sn-Sr,16.0,A5B3_oC32_63_cfg_ce:Sn-Sr +mp-1698,SrSn,-3.5255838475,-0.6760511933000001,0.0,-0.0765527069,GGA,Cmcm,AB_oC8_63_c_c:Sn-Sr,4.0,AB_oC8_63_c_c:Sn-Sr +mp-1219223,Sn13Pd20,-5.2513681694,-0.5325175538,0.0049351373,0.0049351373,GGA,C2,A20B13_mC132_5_2a2b18c_13c:Pd-Sn,66.0,"Invalid WP multiplicities - A20B13_mC132_5_2a2b28c_21c:Pd-Sn, expected Sn7Pd10 to be Sn13Pd20" +mp-1187136,Sr3Sn,-2.622852925,-0.3533398713,0.1111230458,0.1111230458,GGA,Pm-3m,AB3_cP4_221_a_c:Sn-Sr,4.0,AB3_cP4_221_a_c:Sn-Sr +mp-1102131,Sr2Pd,-3.2936085233,-0.4406522844,0.0,-0.0362658822,GGA,Pnma,AB2_oP12_62_c_2c:Pd-Sr,12.0,AB2_oP12_62_c_2c:Pd-Sr +mp-1558,SrPd2,-4.6521335433,-0.6357145189,0.0,-0.14544617,GGA,Fd-3m,A2B_cF24_227_c_b:Pd-Sr,6.0,A2B_cF24_227_c_b:Pd-Sr +mp-1208722,Sr4Pd,-2.4350607010000003,-0.0474895763,0.2169017943,0.2169017943,GGA,Fd-3m,AB4_cF40_227_a_e:Pd-Sr,10.0,AB4_cF40_227_a_e:Pd-Sr +mp-1209131,Sn9Pd13,-5.2308000659000005,-0.5296814193,0.0069659078,0.0069659078,GGA,P3_121,A13B9_hP66_152_a2b5c_a4c:Pd-Sn,66.0,A13B9_hP66_152_a2b5c_a4c:Pd-Sn +mp-17720,Sr5Sn3,-3.1931636725,-0.6336408185,0.0,-0.0001651031,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Sn-Sr,16.0,A3B5_tI32_140_ah_cl:Sn-Sr +mp-2128,Sn4Pd,-4.480478088,-0.236844242,0.0,-0.002723719,GGA,Ccce,AB4_oC20_68_a_i:Pd-Sn,10.0,AB4_oC20_68_a_i:Pd-Sn +mp-999143,SrPd,-4.041267235,-0.6065796033,0.0,-0.0683962017,GGA,Cmcm,AB_oC8_63_c_c:Pd-Sr,4.0,AB_oC8_63_c_c:Pd-Sr +mp-2369,SnPd,-5.1265419763,-0.5318151438000001,0.0,-0.0518790914,GGA,Pnma,AB_oP8_62_c_c:Pd-Sn,8.0,AB_oP8_62_c_c:Pd-Sn +mp-1371,Sn3Pd,-4.5947999975,-0.2926506538,0.0011530773,0.0011530773,GGA,Cmce,AB3_oC32_64_d_fg:Pd-Sn,16.0,AB3_oC32_64_d_fg:Pd-Sn +mp-1573,Sn2Pd,-4.7884113862,-0.3887362129,0.0,-0.0163640625,GGA,I4_1/acd,AB2_tI48_142_d_ef:Pd-Sn,24.0,AB2_tI48_142_d_ef:Pd-Sn +mp-30834,SrSn3Pd,-4.359321092,-0.5797029263,0.0,-0.0586150297,GGA,I4mm,AB3C_tI10_107_a_ab_a:Pd-Sn-Sr,5.0,AB3C_tI10_107_a_ab_a:Pd-Sn-Sr +mp-1218937,SnPd3,-5.01045027,-0.1231459487,0.3937113575,0.2823596613,GGA,R-3m,A3B_hR12_166_ac_b:Pd-Sn,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Pd-Sn, expected SnPd5 to be SnPd3" +mp-718,SnPd3,-5.4041616275,-0.5168573062,0.0,-0.1113516962,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Sn,4.0,A3B_cP4_221_c_a:Pd-Sn +mp-1187228,SrPd3,-4.66162263,-0.3543379092,0.1504978975,0.1504978975,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pd-Sr,8.0,A3B_hP8_194_h_c:Pd-Sr +mp-978,Sr2Sn,-3.08213681,-0.6192838894,0.0,-0.0560476063,GGA,Pnma,AB2_oP12_62_c_2c:Sn-Sr,12.0,AB2_oP12_62_c_2c:Sn-Sr +mp-18063,SrSn3,-3.8389663875,-0.4094141329,0.0,-0.0285190971,GGA,R-3m,A3B_hR48_166_2h_2c:Sn-Sr,16.0,"Invalid WP multiplicities - A3B_hR48_166_3h_2c:Sn-Sr, expected Sr2Sn9 to be SrSn3" +mp-1186781,SrSn3,-3.7955877225,-0.3660354679,0.043378665,0.0148595679,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-Sr,8.0,A3B_hP8_194_h_c:Sn-Sr +mp-1186760,SrSn3,-3.7829985975,-0.3534463429,0.05596779,0.0274486929,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Sr,4.0,A3B_cP4_221_c_a:Sn-Sr +mp-1260,SrPd5,-4.9721075117,-0.3739570944,0.0,-0.056099835,GGA,P6/mmm,A5B_hP6_191_cg_a:Pd-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Pd-Sr, expected SrPd7 to be SrPd5" +mp-714,SrSn4,-3.852666763,-0.3071105883,0.020420718,0.020420718,GGA,Cmcm,A4B_oC20_63_acf_c:Sn-Sr,10.0,A4B_oC20_63_acf_c:Sn-Sr +mp-1219006,Sn7Pd5,-4.9174177408,-0.4202167379,0.0400589404,0.0400589404,GGA,C2,A5B7_mC24_5_a2c_b3c:Pd-Sn,12.0,A5B7_mC24_5_a2c_b3c:Pd-Sn +mp-1851,SnPd2,-5.3304526383,-0.5406741467,0.0,-0.0147503813,GGA,Pnma,A2B_oP12_62_2c_c:Pd-Sn,12.0,A2B_oP12_62_2c_c:Pd-Sn +mp-32682,Te8Ir3,-5.24034962,-0.5438269212,0.0181154345,-0.0686951826,GGA,P-1,A3B8_aP33_2_acd3i_12i:Ir-Te,33.0,"Invalid WP multiplicities - A3B8_aP33_2_acd6i_22i:Ir-Te, expected Te44Ir15 to be Te8Ir3" +mp-1217357,Te8Ir3,-5.2584650545,-0.5619423558000001,0.0,-0.0868106171,GGA,R-3,A3B8_hR33_148_d_cf:Ir-Te,11.0,"Invalid WP multiplicities - A3B8_hR33_148_d_2c2f:Ir-Te, expected Te16Ir3 to be Te8Ir3" +mp-505164,NbTe4Ir,-5.9371758604,-0.6850153949000001,0.0,-0.0234374879,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Ir-Nb-Te,24.0,ABC4_oP24_31_2a_2a_8a:Ir-Nb-Te +mp-1458,Nb3Ir,-10.1882502538,-0.4026629288,0.0,-0.1428539387,GGA,Pm-3n,AB3_cP8_223_a_c:Ir-Nb,8.0,AB3_cP8_223_a_c:Ir-Nb +mp-1186231,NbIr3,-9.7662517863,-0.6120998913,0.0,-0.3295863223,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Nb,8.0,A3B_hP8_194_h_c:Ir-Nb +mp-1339,NbIr3,-9.758132035,-0.60398014,0.0081197513,-0.321466571,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Nb,4.0,A3B_cP4_221_c_a:Ir-Nb +mp-1095683,NbIr,-9.9841495008,-0.5142798908,0.0053380892,-0.0068984808,GGA,Pmma,AB_oP12_51_ei_fj:Ir-Nb,12.0,AB_oP12_51_ei_fj:Ir-Nb +mp-1359,NbIr,-9.98948759,-0.51961798,0.0,-0.01223657,GGA,P4/mmm,AB_tP2_123_a_d:Ir-Nb,2.0,AB_tP2_123_a_d:Ir-Nb +mp-1103512,Te2Ir,-5.591839682,-0.5501576931000001,0.0305588763,-0.035043867,GGA,P-1,AB2_aP15_2_a2i_5i:Ir-Te,15.0,"Invalid WP multiplicities - AB2_aP15_2_a4i_10i:Ir-Te, expected Te20Ir9 to be Te2Ir" +mp-1551,Te2Ir,-5.61638834,-0.5747063511,0.0060102183,-0.059592525,GGA,C2/m,AB2_mC18_12_ai_3i:Ir-Te,9.0,"Invalid WP multiplicities - AB2_mC18_12_ai_4i:Ir-Te, expected Te8Ir3 to be Te2Ir" +mp-569322,Te2Ir,-5.6100091008,-0.5683271119000001,0.0123894575,-0.0532132858,GGA,Pnma,AB2_oP12_62_c_2c:Ir-Te,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_4c:Ir-Te, expected Te4Ir to be Te2Ir" +mp-569388,Te2Ir,-5.6223985583000005,-0.5807165694,0.0,-0.0656027433,GGA,Pnma,AB2_oP24_62_2c_4c:Ir-Te,24.0,"Invalid WP multiplicities - AB2_oP24_62_4c_12c:Ir-Te, expected Te3Ir to be Te2Ir" +mp-10845,Te2Ir,-5.330498705,-0.2888167161,0.2918998533,0.22629711,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ir-Te,6.0,AB2_tP6_136_a_f:Ir-Te +mp-2285,Te2Ir,-5.5959195167,-0.5542375278,0.0264790417,-0.0391237017,GGA,P-3m1,AB2_hP3_164_a_d:Ir-Te,3.0,AB2_hP3_164_a_d:Ir-Te +mp-10844,Te2Ir,-5.5501661383,-0.5084841494,0.07223242,0.0066296767,GGA,Pa-3,AB2_cP12_205_a_c:Ir-Te,12.0,AB2_cP12_205_a_c:Ir-Te +mp-10187,TeIr,-5.930304265,0.0605657717,0.4961031988,0.4961031988,GGA,P6_3/mmc,AB_hP4_194_a_c:Ir-Te,4.0,AB_hP4_194_a_c:Ir-Te +mp-1220502,Nb5Ir7,-9.83548632,-0.4708559483,0.0795893354,0.0795893354,GGA,Pmm2,A7B5_oP12_25_abc2e_d2f:Ir-Nb,12.0,"Invalid WP multiplicities - A7B5_oP12_25_abc4e_d4f:Ir-Nb, expected Nb9Ir11 to be Nb5Ir7" +mp-581665,CaIn2,-2.5107168733,-0.00772776,0.41702996,0.3053116033,GGA,P6_3/mmc,AB2_hP6_194_a_f:Ca-In,6.0,AB2_hP6_194_a_f:Ca-In +mp-21068,CaIn2,-2.9277468333,-0.42475772,0.0,-0.1117183567,GGA,P6_3/mmc,AB2_hP6_194_b_f:Ca-In,6.0,AB2_hP6_194_b_f:Ca-In +mp-20669,Ca2In,-2.6165703975,-0.3622759008,0.0037279752,0.0037279752,GGA,Pnma,A2B_oP12_62_2c_c:Ca-In,12.0,A2B_oP12_62_2c_c:Ca-In +mp-18614,In3Rh,-4.1922916788,-0.2874519138,0.0,-0.0805386438,GGA,P4_2/mnm,A3B_tP16_136_cj_f:In-Rh,16.0,A3B_tP16_136_cj_f:In-Rh +mp-1184791,InRh3,-6.3582127375,-0.1470609025,0.0598523675,0.0598523675,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Rh,8.0,AB3_hP8_194_c_h:In-Rh +mp-1214064,CaIn2Rh,-4.2372846097,-0.5189658072000001,0.0,-0.0516507018,GGA,Pnma,AB2C_oP32_62_2c_2d_2c:Ca-In-Rh,32.0,AB2C_oP32_62_2c_2d_2c:Ca-In-Rh +mp-20220,CaInRh,-4.5817224008,-0.5411919075,0.0,-0.0691738032,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-In-Rh,12.0,ABC_oP12_62_c_c_c:Ca-In-Rh +mp-21220,CaIn4Rh,-3.789545415,-0.3934383033,0.0,-0.0087702556,GGA,Pmma,AB4C_oP12_51_e_afj_e:Ca-In-Rh,12.0,AB4C_oP12_51_e_afj_e:Ca-In-Rh +mp-1093881,CaInRh2,-3.03107992,1.8403949175,2.3009462203,2.3009462203,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-In-Rh,4.0,ABC2_oI8_71_a_b_e:Ca-In-Rh +mp-1214306,Ca8In3,-2.5372398655,-0.3281625718,0.0001848791,-0.0317550166,GGA,P1,A8B3_aP22_1_16a_6a:Ca-In,22.0,"Invalid WP multiplicities - A8B3_aP22_2_16i_be3i:Ca-In, expected Ca4In to be Ca8In3" +mp-1191538,Ca8In3,-2.5374247445,-0.3283474509,0.0,-0.0319398957,GGA,P-1,A8B3_aP22_2_8i_be2i:Ca-In,22.0,"Invalid WP multiplicities - A8B3_aP22_2_14i_be4i:Ca-In, expected Ca14In5 to be Ca8In3" +mp-899,InRh,-5.47182234,-0.41382654,0.0,-0.1965701319,GGA,Pm-3m,AB_cP2_221_a_b:In-Rh,2.0,AB_cP2_221_a_b:In-Rh +mp-21187,CaIn,-2.8379679625,-0.4593261575,0.0102328875,-0.0658093471,GGA,I4/mmm,AB_tI16_139_de_h:Ca-In,8.0,AB_tI16_139_de_h:Ca-In +mp-20263,CaIn,-2.84820085,-0.469559045,0.0,-0.0760422346,GGA,Pm-3m,AB_cP2_221_a_b:Ca-In,2.0,AB_cP2_221_a_b:Ca-In +mp-20581,Ca3In,-2.41144775,-0.2193269075,0.0816582558,0.0816582558,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-In,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Ca-In, expected Ca5In to be Ca3In" +mp-1183498,Ca3Ho,-2.49763714,0.1521649875,0.1521649875,0.1521649875,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Ho,4.0,A3B_cP4_221_c_a:Ca-Ho +mp-1008223,CaSe,-4.75104732,-2.0002916412,0.258026135,-2.0002916412,GGA,F-43m,AB_cF8_216_a_c:Ca-Se,2.0,AB_cF8_216_a_c:Ca-Se +mp-1415,CaSe,-5.009073455,-2.2583177762,0.0,-2.2583177762,GGA,Fm-3m,AB_cF8_225_a_b:Ca-Se,2.0,AB_cF8_225_a_b:Ca-Se +mp-9824,Ho2Se3,-6.092548433,-2.1620379984,0.0,-0.2060748412,GGA,Fddd,A2B3_oF80_70_2e_fh:Ho-Se,20.0,A2B3_oF80_70_2e_fh:Ho-Se +mp-685041,Ho2Se3,-6.0282463675,-2.0977359329,0.0643020655,-0.1417727757,GGA,I-42d,A2B3_tI80_122_cde_3e:Ho-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_16e:Ho-Se, expected Ho17Se32 to be Ho2Se3" +mp-464,HoSe,-5.9907422,-1.9515820262,0.0,-0.1498836942,GGA,Fm-3m,AB_cF8_225_a_b:Ho-Se,2.0,AB_cF8_225_a_b:Ho-Se +mp-1183597,CaHo3,-3.7978057725,0.14040085,0.14040085,0.14040085,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Ho,4.0,AB3_tI8_139_a_bd:Ca-Ho +mp-1018728,HoSe2,-5.710761065,-1.8526837899,0.0,-0.0034380832,GGA,P4/nmm,AB2_tP6_129_c_ac:Ho-Se,6.0,AB2_tP6_129_c_ac:Ho-Se +mp-32833,Ho6Se11,-5.8374060115,-1.9580248659,0.0,-0.0143545441,GGA,P1,A6B11_aP68_1_24a_44a:Ho-Se,68.0,A6B11_aP68_1_24a_44a:Ho-Se +mp-675701,Ca(HoSe2)2,-5.7723521657,-2.1789145185,0.0106319879,0.0106319879,GGA,P2/m,AB2C4_mP7_10_c_bd_mn:Ca-Ho-Se,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_m2n:Ca-Ho-Se, expected Ca(HoSe3)2 to be Ca(HoSe2)2" +mp-1211140,Li8Ag5,-2.4669731258,-0.202806745,0.0,-0.0103037694,GGA,I-43m,A5B8_cI52_217_ce_cg:Ag-Li,26.0,A5B8_cI52_217_ce_cg:Ag-Li +mp-28228,Ag7Te4,-2.9254997156,0.0200562477,0.2324636524,0.2324636524,GGA,P6/mmm,A7B4_hP55_191_efloq_ckn:Ag-Te,55.0,A7B4_hP55_191_efloq_ckn:Ag-Te +mp-568761,AgTe,-3.2448278344,-0.256896886,0.0,-0.0090132344,GGA,Pnma,AB_oP32_62_2cd_2cd:Ag-Te,32.0,"Invalid WP multiplicities - AB_oP32_62_8c6d_7c6d:Ag-Te, expected Ag20Te19 to be AgTe" +mp-962069,LiAgTe,-3.1924066633,-0.5641450756,0.1261588133,0.1261588133,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Li-Te,3.0,ABC_cF12_216_a_c_b:Ag-Li-Te +mp-685048,Ag2Te,-3.0757300067,-0.1395907067,0.0629301467,0.031673884,GGA,P1,A2B_aP21_1_14a_7a:Ag-Te,21.0,A2B_aP21_1_14a_7a:Ag-Te +mp-1247858,Ag2Te,-0.7489415208,2.1871977792,2.3897186325,2.3584623699,GGA,P1,A2B_aP12_1_8a_4a:Ag-Te,12.0,A2B_aP12_1_8a_4a:Ag-Te +mp-684798,Ag2Te,-3.1025963408,-0.1664570408,0.0360638125,0.0048075499,GGA,Pc,A2B_mP12_7_4a_2a:Ag-Te,12.0,"Invalid WP multiplicities - A2B_mP12_7_6a_2a:Ag-Te, expected Ag3Te to be Ag2Te" +mp-1592,Ag2Te,-3.1386601533,-0.2025208533,0.0,-0.0312562626,GGA,P2_1/c,A2B_mP12_14_2e_e:Ag-Te,12.0,A2B_mP12_14_2e_e:Ag-Te +mp-32811,Ag2Te,-3.1006162283,-0.1644769283,0.038043925,0.0067876624,GGA,Cmce,A2B_oC12_64_f_a:Ag-Te,6.0,A2B_oC12_64_f_a:Ag-Te +mp-1229101,Ag2Te,-3.1127332767,-0.1765939767,0.0259268767,-0.005329386,GGA,I4/mmm,A2B_tI6_139_d_a:Ag-Te,3.0,A2B_tI6_139_d_a:Ag-Te +mp-1229041,AgTe3,-3.322707045,-0.2570886242,0.058839225,-0.1286401811,GGA,P4/mmm,AB3_tP4_123_a_bg:Ag-Te,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2g:Ag-Te, expected AgTe5 to be AgTe3" +mp-28246,AgTe3,-3.38154627,-0.3159278492,0.0,-0.1874794061,GGA,Im-3m,AB3_cI8_229_a_b:Ag-Te,4.0,AB3_cI8_229_a_b:Ag-Te +mp-2530,Li2Te,-3.4984708,-1.1780869244,0.0,-0.4240855987,GGA,Fm-3m,A2B_cF12_225_c_a:Li-Te,3.0,A2B_cF12_225_c_a:Li-Te +mp-976408,Li3Ag,-2.2966050725,-0.1567739217,0.000247865,-0.0197558531,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Li,4.0,AB3_tI8_139_a_bd:Ag-Li +mp-977126,Li3Ag,-2.2890652063,-0.1492340554,0.0077877313,-0.0122159869,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Li,8.0,AB3_hP8_194_c_h:Ag-Li +mp-865875,Li3Ag,-2.2968529375,-0.1570217867,0.0,-0.0200037181,GGA,Fm-3m,AB3_cF16_225_a_bc:Ag-Li,4.0,AB3_cF16_225_a_bc:Ag-Li +mp-1185280,Li3Te,-3.0323366863,-0.8148180629,0.0687471304,0.0687471304,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Te,8.0,A3B_hP8_194_h_c:Li-Te +mp-1222549,Li9Ag4,-2.3617553008,-0.1686376228,0.0080062888,0.0080062888,GGA,Fmm2,A4B9_oF104_42_2ace_2c3d2e:Ag-Li,26.0,"Invalid WP multiplicities - A4B9_oF104_42_2ac2e_3c4d4e:Ag-Li, expected Li5Ag2 to be Li9Ag4" +mp-1222584,Li3Ag2,-2.47493409,-0.1965579687,0.0087770783,0.0087770783,GGA,P4/mmm,A2B3_tP10_123_2g_ad2h:Ag-Li,10.0,"Invalid WP multiplicities - A2B3_tP10_123_3g_ad4h:Ag-Li, expected Li5Ag3 to be Li3Ag2" +mp-1018026,LiAg,-2.59144083,-0.220701395,0.001067615,-0.0352136237,GGA,I4_1/amd,AB_tI8_141_a_b:Ag-Li,4.0,AB_tI8_141_a_b:Ag-Li +mp-2426,LiAg,-2.592508445,-0.22176901,0.0,-0.0362812387,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Li,2.0,AB_cP2_221_a_b:Ag-Li +mp-862716,LiAg3,-2.7496110475,-0.1479633283,0.0,-0.0370788233,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Li,4.0,A3B_tI8_139_ad_b:Ag-Li +mp-1185342,LiAg3,-2.7420519338,-0.1404042146,0.0075591138,-0.0295197096,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Li,8.0,A3B_hP8_194_h_c:Ag-Li +mp-1185300,LiAg3,-2.7440564675,-0.1424087483,0.00555458,-0.0315242433,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Li,4.0,A3B_cP4_221_c_a:Ag-Li +mp-1185477,LiTe3,-3.2846277762,-0.4499176396,0.0,-0.0081350429,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Te,8.0,AB3_hP8_194_c_h:Li-Te +mp-1197413,Sc9Te2,-6.2808568764,-0.528235628,0.0,-0.0034673448,GGA,Cmc2_1,A9B2_oC88_36_10a4b_2b:Sc-Te,44.0,A9B2_oC88_36_10a4b_2b:Sc-Te +mp-680731,Tl2Te3,-3.247699581,-0.4166587863,0.031100109,-0.0374567226,GGA,Cc,A3B2_mC20_9_3a_2a:Te-Tl,10.0,A3B2_mC20_9_3a_2a:Te-Tl +mp-29711,Tl2Te3,-3.27879969,-0.4477588953,0.0,-0.0685568316,GGA,C2/c,A3B2_mC20_15_ef_f:Te-Tl,10.0,A3B2_mC20_15_ef_f:Te-Tl +mp-10026,ScTe,-6.1264990325,-1.3886115333,0.0,-0.1025264893,GGA,P6_3/mmc,AB_hP4_194_a_c:Sc-Te,4.0,AB_hP4_194_a_c:Sc-Te +mp-1079832,ScTe,-6.1056789388,-1.3677914396,0.0208200937,-0.0817063955,GGA,P6_3/mmc,AB_hP8_194_f_ac:Sc-Te,8.0,AB_hP8_194_f_ac:Sc-Te +mp-1219373,Sc3Te4,-5.9296854943,-1.4195953674,0.0346443271,0.0346443271,GGA,R3m,A3B4_hR21_160_3a_4a:Sc-Te,7.0,A3B4_hR21_160_3a_4a:Sc-Te +mp-541594,Sc8Te3,-6.2387634739,-0.7760661539,0.0124732088,0.0124732088,GGA,C2/m,A8B3_mC88_12_16i_6i:Sc-Te,44.0,A8B3_mC88_12_16i_6i:Sc-Te +mp-21576,Sc2Te,-6.2314898869,-0.9620751858,0.0,-0.0226635974,GGA,Pnma,A2B_oP36_62_6c_3c:Sc-Te,36.0,A2B_oP36_62_6c_3c:Sc-Te +mp-13314,ScTlTe2,-4.8808331225,-1.1354021129,0.0,-0.0447655777,GGA,R-3m,AB2C_hR12_166_a_c_b:Sc-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Sc-Te-Tl +mp-1186974,Sc3Tl,-5.5483746025,-0.2083619871,0.0,-0.2083619871,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sc-Tl,8.0,A3B_hP8_194_h_c:Sc-Tl +mp-1796,Tl5Te3,-2.9616550631000003,-0.3062633865,0.1428966302,0.1428966302,GGA,I-4,A3B5_tI32_82_abg_e2g:Te-Tl,16.0,A3B5_tI32_82_abg_e2g:Te-Tl +mp-174,Tl5Te3,-3.0936756906,-0.438284014,0.0108760027,0.0108760027,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Te-Tl,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_c2l:Te-Tl, expected Tl3Te to be Tl5Te3" +mp-582753,Tl2Te,-3.0637432245,-0.4408791623,0.0,-0.0512933721,GGA,C2/c,AB2_mC132_15_e5f_11f:Te-Tl,66.0,"Invalid WP multiplicities - AB2_mC132_15_2e18f_39f:Te-Tl, expected Tl39Te19 to be Tl2Te" +mp-685069,Sc2Te3,-5.899462137,-1.480490959,0.0,-0.1555352828,GGA,P-1,A2B3_aP20_2_be3i_6i:Sc-Te,20.0,"Invalid WP multiplicities - A2B3_aP20_2_be4i_11i:Sc-Te, expected Sc5Te11 to be Sc2Te3" +mp-32654,Sc2Te3,-5.862762182,-1.443791004,0.036699955,-0.1188353278,GGA,C2/c,A2B3_mC20_15_2e_cf:Sc-Te,10.0,"Invalid WP multiplicities - A2B3_mC20_15_2e_2c2f:Sc-Te, expected ScTe3 to be Sc2Te3" +mp-12383,Sc2Te3,-5.898880148,-1.47990897,0.000581989,-0.1549532938,GGA,Fddd,A2B3_oF80_70_2e_fh:Sc-Te,20.0,A2B3_oF80_70_2e_fh:Sc-Te +mp-1219396,Sc2Te3,-5.863545754,-1.444574576,0.035916383,-0.1196188998,GGA,Immm,A2B3_oI10_71_f_ae:Sc-Te,5.0,A2B3_oI10_71_f_ae:Sc-Te +mp-1186975,Sc3Te,-6.0635649275,-0.5283866254,0.1950768036,0.1950768036,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sc-Te,8.0,A3B_hP8_194_h_c:Sc-Te +mp-2048,TlTe,-3.2269770997,-0.4740025797,0.0,-0.0288235842,GGA,P4_2/nmc,AB_tP64_137_cdf2g_2h:Te-Tl,64.0,"Invalid WP multiplicities - AB_tP64_137_c2df3g_3h:Te-Tl, expected Tl12Te11 to be TlTe" +mp-2081,TlTe,-3.1887668944,-0.4357923744,0.0382102053,0.0093866211,GGA,I4/mcm,AB_tI32_140_adh_k:Te-Tl,16.0,AB_tI32_140_adh_k:Te-Tl +mp-16223,TlTe,-3.0773778744,-0.3244033544,0.1495992253,0.1207756411,GGA,I4/mcm,AB_tI32_140_abh_k:Te-Tl,16.0,AB_tI32_140_abh_k:Te-Tl +mp-1187016,ScTe3,-4.5406142825,-0.6000175862,0.3252892631,0.3252892631,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Te,8.0,AB3_hP8_194_c_h:Sc-Te +mp-1186283,Nd3Sc,-5.1119723938,0.0472554569,0.0472554569,0.0472554569,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Sc,8.0,A3B_hP8_194_h_c:Nd-Sc +mp-976356,NdSc3,-5.89819318,0.0431955069,0.0431955069,0.0431955069,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Sc,8.0,AB3_hP8_194_c_h:Nd-Sc +mp-29778,Nd4Ge7,-5.4017462614,-0.7259476509,0.0,-0.0058284136,GGA,C222_1,A7B4_oC44_20_a3c_abc:Ge-Nd,22.0,"Invalid WP multiplicities - A7B4_oC44_20_a4c_abc:Ge-Nd, expected Nd4Ge9 to be Nd4Ge7" +mp-1077156,NdGe5,-4.9017208583,-0.2545064071,0.0782195996,0.0782195996,GGA,Immm,A5B_oI12_71_al_c:Ge-Nd,6.0,A5B_oI12_71_al_c:Ge-Nd +mp-4854,NdScGe,-5.9574711767,-0.7162563792000001,0.0,-0.0167335601,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-Nd-Sc,6.0,ABC_tI12_139_e_e_c:Ge-Nd-Sc +mp-172,Nd5Ge4,-5.5047156008,-0.8010657583,0.0,-0.0176377853,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Nd,36.0,A4B5_oP36_62_2cd_c2d:Ge-Nd +mp-1191959,Nd2Ge9,-4.9592184068,-0.3098051741,0.0531686514,0.0531686514,GGA,Pmmn,A9B2_oP22_59_a4e_2a:Ge-Nd,22.0,A9B2_oP22_59_a4e_2a:Ge-Nd +mp-1220672,Nd4Ge13,-5.0099845141,-0.3528108762,0.1169199568,0.1169199568,GGA,Pmm2,A13B4_oP17_25_2a2b4c5d_2a2b:Ge-Nd,17.0,A13B4_oP17_25_2a2b4c5d_2a2b:Ge-Nd +mp-663,NdGe,-5.54396178,-0.8483741362,0.0,-0.0652907763,GGA,Cmcm,AB_oC8_63_c_c:Ge-Nd,4.0,AB_oC8_63_c_c:Ge-Nd +mp-975664,NdGe3,-5.06339326,-0.4040855106,0.0950034994,0.0950034994,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Nd,4.0,A3B_cP4_221_c_a:Ge-Nd +mp-2015,Nd3Ge5,-5.42007066,-0.7426229634,0.0,-0.0064731054,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Nd,16.0,"Invalid WP multiplicities - A5B3_oF64_43_a3b_ab:Ge-Nd, expected Nd3Ge7 to be Nd3Ge5" +mp-1464,Nd5Ge3,-5.41597286,-0.7022452691000001,0.0,-0.0263460355,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Nd,16.0,A3B5_hP16_193_g_dg:Ge-Nd +mp-1465,Nd5Ge3,-5.1408191412,-0.4270915503,0.2751537188,0.2488076833,GGA,P6_3/mcm,A3B5_hP16_193_g_cg:Ge-Nd,16.0,A3B5_hP16_193_g_cg:Ge-Nd +mp-2129,NdGe2,-5.2753055133,-0.6039044658,0.0615475475,0.0615475475,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Nd,6.0,A2B_tI12_141_e_a:Ge-Nd +mp-1220290,Nd2Ge3,-5.366720266,-0.6856445800000001,0.078128618,0.078128618,GGA,Imm2,A3B2_oI10_44_2ab_ab:Ge-Nd,,A3B2_oI10_44_2ab_ab:Ge-Nd +mp-10653,SrTe,-4.12894943,-1.7125497567,0.241547895,-1.7125497567,GGA,Pm-3m,AB_cP2_221_a_b:Sr-Te,2.0,AB_cP2_221_a_b:Sr-Te +mp-1958,SrTe,-4.370497325,-1.9540976517,0.0,-1.9540976517,GGA,Fm-3m,AB_cF8_225_a_b:Sr-Te,2.0,AB_cF8_225_a_b:Sr-Te +mp-582549,In2Te5,-3.5517003286,-0.5202864819,0.0008713576,-0.1254952876,GGA,Cc,A2B5_mC28_9_2a_5a:In-Te,14.0,"Invalid WP multiplicities - A2B5_mC28_9_4a_9a:In-Te, expected In4Te9 to be In2Te5" +mp-1197742,In2Te5,-3.5525716862,-0.5211578395,0.0,-0.1263666452,GGA,C2/c,A2B5_mC84_15_3f_e7f:In-Te,42.0,A2B5_mC84_15_3f_e7f:In-Te +mp-1223866,In2Te3,-3.5393647,-0.552707672,0.004663607,0.004663607,GGA,Imm2,A2B3_oI10_44_c_ac:In-Te,5.0,"Invalid WP multiplicities - A2B3_oI10_44_c_a2c:In-Te, expected In2Te5 to be In2Te3" +mp-1105025,In2Te3,-3.2362684,-0.249611372,0.307759907,0.307759907,GGA,I4mm,A2B3_tI30_107_bd_acd:In-Te,15.0,A2B3_tI30_107_bd_acd:In-Te +mp-1224450,In2Te3,-3.330680688,-0.34402366,0.213347619,0.213347619,GGA,P3m1,A2B3_hP5_156_ab_abc:In-Te,5.0,A2B3_hP5_156_ab_abc:In-Te +mp-1068510,In2Te3,-3.476749002,-0.490091974,0.067279305,0.067279305,GGA,R-3m,A2B3_hR15_166_c_ac:In-Te,5.0,A2B3_hR15_166_c_ac:In-Te +mp-622511,In2Te3,-3.502108552,-0.515451524,0.041919755,0.041919755,GGA,F-43m,A2B3_cF180_216_gh_a2efh:In-Te,45.0,"Invalid WP multiplicities - A2B3_cF180_216_4g5h_a8e3f6h:In-Te, expected In28Te41 to be In2Te3" +mp-20320,InTe,-3.4353805887,-0.4878857771,0.0119628063,0.0107746158,GGA,I4/mcm,AB_tI16_140_ab_h:In-Te,8.0,AB_tI16_140_ab_h:In-Te +mp-2819,InTe,-3.229199905,-0.2817050933,0.21814349,0.2169552995,GGA,Pm-3m,AB_cP2_221_a_b:In-Te,2.0,AB_cP2_221_a_b:In-Te +mp-2597,InTe,-3.447343395,-0.4998485833,0.0,-0.0011881905,GGA,Fm-3m,AB_cF8_225_a_b:In-Te,2.0,AB_cF8_225_a_b:In-Te +mp-20397,Sr(InTe2)2,-3.7922989729,-0.9685726176,0.0,-0.0121366607,GGA,Cccm,A2BC4_oC28_66_l_a_kl:In-Sr-Te,14.0,A2BC4_oC28_66_l_a_kl:In-Sr-Te +mp-35663,Sr(InTe2)2,-3.72061771,-0.8968913548,0.0716812629,0.0595446021,GGA,I4/m,A2BC4_tI14_87_d_a_h:In-Sr-Te,7.0,A2BC4_tI14_87_d_a_h:In-Sr-Te +mp-617281,In4Te3,-3.3676365461,-0.4481147461,0.0,-0.0196731032,GGA,Pnnm,A4B3_oP28_58_4g_3g:In-Te,28.0,"Invalid WP multiplicities - A4B3_oP28_58_13g_11g:In-Te, expected In13Te11 to be In4Te3" +mp-669311,In7Te10,-3.5431488415,-0.561099133,0.0,-0.0146101774,GGA,R32,A7B10_hR102_155_c2f_cde2f:In-Te,34.0,"Invalid WP multiplicities - A7B10_hR102_155_c7f_2c3d3e9f:In-Te, expected In11Te19 to be In7Te10" +mp-541885,In3Te4,-3.4567679614,-0.4813001381,0.0681322236,0.0681322236,GGA,R-3m,A3B4_hR21_166_ac_2c:In-Te,7.0,A3B4_hR21_166_ac_2c:In-Te +mp-1739,Hf5Ge3,-8.6348147744,-0.6779361850000001,0.0023189825,0.0023189825,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Hf,16.0,A3B5_hP16_193_g_dg:Ge-Hf +mp-1184667,Ge3Ir,-5.467824315,0.2090551213,0.4351408992,0.4351408992,GGA,Fm-3m,A3B_cF16_225_ac_b:Ge-Ir,4.0,A3B_cF16_225_ac_b:Ge-Ir +mp-9939,Hf2Ge,-8.8357749017,-0.6566395967,0.0,-0.0480118058,GGA,I4/mcm,AB2_tI12_140_a_h:Ge-Hf,6.0,AB2_tI12_140_a_h:Ge-Hf +mp-1072256,Hf2Ge,-8.20828693,-0.029151625,0.6274879717,0.5794761658,GGA,I4/mcm,AB2_tI12_140_c_h:Ge-Hf,6.0,AB2_tI12_140_c_h:Ge-Hf +mp-976273,Hf3Ge2,-8.51794907,-0.69442451,0.0,-0.0066884598,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ge-Hf,10.0,A2B3_tP10_127_g_ah:Ge-Hf +mp-208,GeIr,-7.0588030675,-0.32807205,0.0,-0.0120484345,GGA,Pnma,AB_oP8_62_c_c:Ge-Ir,8.0,AB_oP8_62_c_c:Ge-Ir +mp-1202616,Hf3Ge,-9.0936597388,-0.4700110025,0.022468695,0.022468695,GGA,P4_2/n,AB3_tP32_86_g_3g:Ge-Hf,32.0,AB3_tP32_86_g_3g:Ge-Hf +mp-1184664,Hf3Ge,-8.8747672925,-0.2511185562,0.2413611412,0.2413611412,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Hf,4.0,AB3_tI8_139_a_bd:Ge-Hf +mp-737,Hf5Ge4,-8.2916087628,-0.7051580328,0.0,-0.0477659225,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Hf,36.0,A4B5_oP36_62_2cd_c2d:Ge-Hf +mp-1102841,HfGeIr,-8.6465276175,-0.8403105958,0.0,-0.1738426742,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Hf-Ir,12.0,ABC_oP12_62_c_c_c:Ge-Hf-Ir +mp-489,Ge4Ir,-5.6414785,-0.17536938,0.0054992423,0.0054992423,GGA,P3_121,A4B_hP15_152_2ac_b:Ge-Ir,15.0,"Invalid WP multiplicities - A4B_hP15_152_5a3c_b:Ge-Ir, expected Ge11Ir to be Ge4Ir" +mp-13683,HfGe2,-6.8733116917,-0.4722301117,0.0,-0.049135292,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Hf,6.0,A2B_oC12_63_2c_c:Ge-Hf +mp-505780,Ge7Ir3,-6.158952686,-0.2713029335,0.0,-0.0240284746,GGA,Im-3m,A7B3_cI40_229_df_e:Ge-Ir,20.0,A7B3_cI40_229_df_e:Ge-Ir +mp-541844,Ge5Ir4,-6.8476791278,-0.3511373506,0.0,-0.0388344996,GGA,P-4c2,A5B4_tP36_116_e2j_ach2i:Ge-Ir,36.0,A5B4_tP36_116_e2j_ach2i:Ge-Ir +mp-31284,NaSn5,-3.6231346042,-0.0614038428,0.0163934258,0.0163934258,GGA,P-42_1m,AB5_tP12_113_c_a2e:Na-Sn,12.0,AB5_tP12_113_c_a2e:Na-Sn +mp-1221030,Ni4Sn3,-5.2798150125,-0.2584918289,0.0,-0.004012471,GGA,Pm,A4B3_mP56_6_2a6b12c_12a12b:Ni-Sn,56.0,"Invalid WP multiplicities - A4B3_mP56_6_2a6b24c_12a12b:Ni-Sn, expected Ni7Sn3 to be Ni4Sn3" +mp-1221178,Na7Sn12,-3.170982545,-0.1513752127,0.0177459333,0.0177459333,GGA,P-1,A7B12_aP76_2_14i_24i:Na-Sn,76.0,A7B12_aP76_2_14i_24i:Na-Sn +mp-1198760,Na5Sn13,-3.3587021031,-0.0955320707,0.0341300436,0.0341300436,GGA,Cmcm,A5B13_oC288_63_4c4f2h_11fg7h:Na-Sn,144.0,A5B13_oC288_63_4c4f2h_11fg7h:Na-Sn +mp-1212538,Na2Sn,-2.289609235,-0.0714017544,0.1154765824,0.1154765824,GGA,I4_1/acd,A2B_tI96_142_2g_g:Na-Sn,48.0,A2B_tI96_142_2g_g:Na-Sn +mp-1186066,Na3Ni,-2.0173785325,0.4195496076,0.4195496076,0.4195496076,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Ni,4.0,A3B_tI8_139_ad_b:Na-Ni +mp-1186073,Na3Ni,-2.0201742325,0.4167539076,0.4167539076,0.4167539076,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Ni,4.0,A3B_cF16_225_ac_b:Na-Ni +mp-1077925,Na5Sn2,-2.2677119071,-0.1774590247,0.0,-0.0029270077,GGA,R-3m,A5B2_hR21_166_a2c_c:Na-Sn,7.0,A5B2_hR21_166_a2c_c:Na-Sn +mp-680646,NiSn,-5.1275881194,-0.2327338519,0.0079021226,0.0079021226,GGA,Pbam,AB_oP32_55_acg2h_2g2h:Ni-Sn,32.0,"Invalid WP multiplicities - AB_oP32_55_2ac3g7h_5g6h:Ni-Sn, expected Ni23Sn22 to be NiSn" +mp-669720,Ni3Sn2,-5.3327299555,-0.2608192055,0.0,-0.0140534116,GGA,Pnma,A3B2_oP20_62_cd_2c:Ni-Sn,20.0,"Invalid WP multiplicities - A3B2_oP20_62_3c2d_3c:Ni-Sn, expected Ni7Sn3 to be Ni3Sn2" +mp-864742,Na3Sn,-2.130962865,-0.1366759312,0.030192147,0.030192147,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Sn,4.0,A3B_tI8_139_ad_b:Na-Sn +mp-1186080,Na3Sn,-2.124442315,-0.1301553812,0.036712697,0.036712697,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Sn,4.0,A3B_cF16_225_ac_b:Na-Sn +mp-976870,NaNi3,-4.148267275,0.5174665584,0.5174665584,0.5174665584,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Ni,4.0,AB3_tI8_139_a_bd:Na-Ni +mp-976872,NaNi3,-4.14928927,0.5164445634,0.5164445634,0.5164445634,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Ni,4.0,AB3_cP4_221_a_c:Na-Ni +mp-1080147,Ni3Sn,-5.5138195225,-0.1763240487,0.0088800612,-0.0133120453,GGA,Pmmn,A3B_oP8_59_ae_b:Ni-Sn,8.0,A3B_oP8_59_ae_b:Ni-Sn +mp-20112,Ni3Sn,-5.5226995837,-0.18520411,0.0,-0.0221921066,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Sn,8.0,A3B_hP8_194_h_c:Ni-Sn +mp-11522,Ni3Sn,-5.52223511,-0.1847396362,0.0004644738,-0.0217276328,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Sn,4.0,A3B_cP4_221_c_a:Ni-Sn +mp-11523,Ni3Sn,-5.4739497825,-0.1364543087,0.0487498012,0.0265576947,GGA,Fm-3m,A3B_cF16_225_ac_b:Ni-Sn,4.0,A3B_cF16_225_ac_b:Ni-Sn +mp-20174,Ni3Sn4,-4.9911654714,-0.22278012,0.0,-0.0139135231,GGA,C2/m,A3B4_mC14_12_ai_2i:Ni-Sn,7.0,A3B4_mC14_12_ai_2i:Ni-Sn +mp-1221338,Na2NiSn,-2.9771155975,0.131574183,0.3103543262,0.3103543262,GGA,Pmmm,A2BC_oP4_47_ad_f_g:Na-Ni-Sn,4.0,A2BC_oP4_47_ad_f_g:Na-Ni-Sn +mp-30794,Na15Sn4,-2.0433816016,-0.1551622952,0.0,-0.0244030138,GGA,I-43d,A15B4_cI76_220_ae_c:Na-Sn,38.0,A15B4_cI76_220_ae_c:Na-Sn +mp-1219822,Ni7Sn8,-5.0632679567,-0.2274325167,0.0048707257,0.0048707257,GGA,P2/m,A7B8_mP15_10_bcemn_2m2n:Ni-Sn,15.0,"Invalid WP multiplicities - A7B8_mP15_10_bcdm2n_2m4n:Ni-Sn, expected Ni3Sn4 to be Ni7Sn8" +mp-1193435,Na9Sn4,-2.3257831673,-0.1764743165,0.005332083,0.005332083,GGA,Cmcm,A9B4_oC52_63_c4f_2f:Na-Sn,26.0,A9B4_oC52_63_c4f_2f:Na-Sn +mp-542377,Na9Sn4,-2.3295027865,-0.1801939357,0.0016124638,0.0016124638,GGA,P6_3/mmc,A9B4_hP26_194_ce3f_ef:Na-Sn,26.0,A9B4_hP26_194_ce3f_ef:Na-Sn +mp-11051,NaSn,-2.8858945031000003,-0.2198459289,0.0,-0.0528302424,GGA,I4_1/acd,AB_tI64_142_ef_g:Na-Sn,32.0,AB_tI64_142_ef_g:Na-Sn +mp-583168,NaSn2,-3.269484205,-0.1555945372,0.0,-0.0090305846,GGA,C2/m,AB2_mC48_12_g3i_2i3j:Na-Sn,24.0,"Invalid WP multiplicities - AB2_mC48_12_2g6i_4i11j:Na-Sn, expected Na4Sn13 to be NaSn2" +mp-1186176,NaSn3,-3.4272778625,-0.0894676479,0.027228255,0.027228255,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Sn,4.0,AB3_tI8_139_a_bd:Na-Sn +mp-1186190,NaSn3,-3.4346275787,-0.0968173641,0.0198785388,0.0198785388,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Sn,8.0,AB3_hP8_194_c_h:Na-Sn +mp-1188739,ErAl,-4.5685174863,-0.4118701663,0.0,-0.0118166,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Er,16.0,AB_oP16_57_cd_2d:Al-Er +mp-1842,NbAl3,-5.76353898,-0.4290308475,0.0,-0.3191044643,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Nb,4.0,A3B_tI8_139_ad_b:Al-Nb +mp-1102875,Er2Al,-4.5868498058,-0.2931786558,0.0,-0.018598545,GGA,Pnma,AB2_oP12_62_c_2c:Al-Er,12.0,AB2_oP12_62_c_2c:Al-Er +mp-1208,ErAl2,-4.5265519667,-0.5069284767,0.0,-0.0901588312,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Er,6.0,A2B_cF24_227_c_b:Al-Er +mp-31181,Er3Al2,-4.5653106425,-0.3264490245,0.0142062355,0.0142062355,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Er,20.0,A2B3_tP20_136_j_dfg:Al-Er +mp-1213435,Er6Nb4Al43,-4.6456244308,-0.3272981344,0.0,-0.0079441948,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Nb,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Nb +mp-796,Nb3Al,-8.6861585287,-0.1737857912,0.0460669753,0.0460669753,GGA,Pm-3n,AB3_cP8_223_a_c:Al-Nb,8.0,AB3_cP8_223_a_c:Al-Nb +mp-1212928,Er4Al,-3.887723622,0.515566592,0.6914737855,0.6914737855,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Er,10.0,AB4_cF40_227_a_e:Al-Er +mp-1201145,Er2Al17,-3.9141353755,-0.0820181792,0.0944952461,0.0944952461,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Al-Er,38.0,A17B2_hP38_194_fgjk_bc:Al-Er +mp-18427,Nb2Al,-8.2758656587,-0.293137022,0.0,-0.076810388,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Al-Nb,30.0,AB2_tP30_136_ai_fij:Al-Nb +mp-862656,ErAl3,-4.36677402,-0.415662445,0.00355694,-0.0354660875,GGA,R-3m,A3B_hR60_166_d2h_b2c:Al-Er,20.0,A3B_hR60_166_d2h_b2c:Al-Er +mp-1184171,ErAl3,-4.362354125,-0.41124255,0.007976835,-0.0310461925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Er,8.0,A3B_hP8_194_h_c:Al-Er +mp-2134,ErAl3,-4.37033096,-0.419219385,0.0,-0.0390230275,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Er,4.0,A3B_cP4_221_c_a:Al-Er +mp-1220481,Nb4Al,-8.939345798,-0.1091866,0.0666956132,0.0666956132,GGA,Fmmm,AB4_oF20_69_a_2g:Al-Nb,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Al-Nb, expected Nb6Al to be Nb4Al" +mp-1187566,TlZn3,-1.3500573725,0.1854111217,0.1854111217,0.1854111217,GGA,Pm-3m,AB3_cP4_221_a_c:Tl-Zn,4.0,AB3_cP4_221_a_c:Tl-Zn +mp-1200584,La3Zn22,-1.9917574284,-0.290862199,0.0,-0.0070900613,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:La-Zn,50.0,A3B22_tI100_141_ae_c3hi:La-Zn +mp-571191,LaZn11,-1.7984982925000002,-0.2323993913,0.0,-0.0041737197,GGA,I4_1/amd,AB11_tI48_141_b_aci:La-Zn,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_2a3c5i:La-Zn, expected LaZn48 to be LaZn11" +mp-2615,LaZn,-3.413689955,-0.3158145975,0.0,-0.0345431862,GGA,Pm-3m,AB_cP2_221_a_b:La-Zn,2.0,AB_cP2_221_a_b:La-Zn +mp-567258,LaZn2,-2.8601933233,-0.3750285483,0.0,-0.0448232656,GGA,Imma,AB2_oI12_74_e_h:La-Zn,6.0,AB2_oI12_74_e_h:La-Zn +mp-861620,LaZn4,-2.33671414,-0.341717831,0.0,-0.0158274567,GGA,Cmcm,AB4_oC20_63_c_2ce:La-Zn,10.0,AB4_oC20_63_c_2ce:La-Zn +mp-1193170,LaZn13,-1.7262003046,-0.203866445,0.0,-0.0046669668,GGA,Fm-3c,AB13_cF112_226_a_bi:La-Zn,28.0,AB13_cF112_226_a_bi:La-Zn +mp-973564,La2TlZn,-3.7282576525,-0.3546574108,0.0144249275,0.0144249275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:La-Tl-Zn +mp-1185085,La3Zn,-4.077928625,-0.0609873938,0.096919905,0.096919905,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Zn,4.0,A3B_tI8_139_ad_b:La-Zn +mp-1184975,La3Zn,-4.0774701075,-0.0605288763,0.0973784225,0.0973784225,GGA,Pm-3m,A3B_cP4_221_c_a:La-Zn,4.0,A3B_cP4_221_c_a:La-Zn +mp-30709,La2Zn17,-1.9198166458,-0.2730979311,0.0,-0.0057327457,GGA,R-3m,A2B17_hR57_166_c_cdfh:La-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:La-Zn, expected La2Zn23 to be La2Zn17" +mp-1018755,LaTlZn,-3.2157822583,-0.3629843044,0.028196403,0.028196403,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:La-Tl-Zn,6.0,ABC_hP6_194_a_c_d:La-Tl-Zn +mp-1185121,LaZn3,-2.4774381438,-0.29862866,0.05558069,0.05558069,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Zn,8.0,AB3_hP8_194_c_h:La-Zn +mp-2424,LaZn5,-2.1860600233,-0.3136058308,0.0069221535,0.0069221535,GGA,P6/mmm,AB5_hP6_191_a_cg:La-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:La-Zn, expected LaZn8 to be LaZn5" +mp-1187551,Tl3Zn,-1.95414817,0.1327700925,0.1327700925,0.1327700925,GGA,I4/mmm,A3B_tI8_139_ad_b:Tl-Zn,4.0,A3B_tI8_139_ad_b:Tl-Zn +mp-1187498,Tl3Zn,-1.9509647175,0.135953545,0.135953545,0.135953545,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-Zn,4.0,A3B_cP4_221_c_a:Tl-Zn +mp-981380,Tl3Zn,-1.9560678825,0.13085038,0.13085038,0.13085038,GGA,Fm-3m,A3B_cF16_225_ac_b:Tl-Zn,4.0,A3B_cF16_225_ac_b:Tl-Zn +mp-1186663,PmTmAl2,-4.55002913,-0.3706467785,0.0074743669,0.0074743669,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pm-Tm,4.0,A2BC_cF16_225_c_a_b:Al-Pm-Tm +mp-862980,PmAl3,-4.44280712,-0.4459896669,0.0,-0.3853326379,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Pm,8.0,A3B_hP8_194_h_c:Al-Pm +mp-1186496,Pm3Al,-4.6812717862,-0.1819710869,0.0,-0.0333078646,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Pm,8.0,AB3_hP8_194_c_h:Al-Pm +mp-1186489,Pm3Al,-4.6678650425,-0.1685643431,0.0134067438,-0.0199011208,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Pm,4.0,AB3_cP4_221_a_c:Al-Pm +mp-1183838,Ce3Ho,-5.501121475,0.0942976088,0.0942976088,0.0942976088,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Ho,4.0,A3B_tI8_139_ad_b:Ce-Ho +mp-1183745,Ce3Ho,-5.4988031325,0.0966159513,0.0966159513,0.0966159513,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Ho,4.0,A3B_cP4_221_c_a:Ce-Ho +mp-1183730,CeHoZn2,-3.527487345,-0.2687410338,0.026152775,0.026152775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Ho-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Ho-Zn +mp-1183834,CeHo3,-4.8516149550000005,0.0684639863,0.0684639863,0.0684639863,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Ho,4.0,AB3_cP4_221_a_c:Ce-Ho +mp-1220202,Nd4Zn3Au5,-3.957437605,-0.689001725,0.0,-0.0321914356,GGA,Pm,A5B4C3_mP12_6_2a3b_2a2b_2ab:Au-Nd-Zn,12.0,A5B4C3_mP12_6_2a3b_2a2b_2ab:Au-Nd-Zn +mp-977576,NdZnAu2,-3.730189605,-0.5862758444,0.0283772527,0.0283772527,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Nd-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Nd-Zn +mp-1188513,HoSi3,-5.5097846987,-0.2951939587,0.12055201,0.12055201,GGA,I4/mmm,AB3_tI32_139_de_im:Ho-Si,16.0,AB3_tI32_139_de_im:Ho-Si +mp-569851,Ho10Si17,-5.7290494059,-0.6159199537000001,0.0,-0.0294109444,GGA,Imm2,A10B17_oI54_44_c2e_2ab7d:Ho-Si,27.0,"Invalid WP multiplicities - A10B17_oI54_44_c7e_2ab13d:Ho-Si, expected Ho30Si29 to be Ho10Si17" +mp-1224909,Ho3Si4,-5.2548543729,-0.1907831257,0.5040976156,0.5040976156,GGA,Cm,A3B4_mC56_8_12a_16a:Ho-Si,28.0,A3B4_mC56_8_12a_16a:Ho-Si +mp-542829,Ho5Si4,-5.6714762058,-0.7144410425000001,0.0207845686,0.0207845686,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ho-Si,36.0,A5B4_oP36_62_c2d_2cd:Ho-Si +mp-1219398,Sc2Si3,-6.138394582,-0.350216122,0.290928154,0.290928154,GGA,P-6m2,A2B3_hP5_187_i_abc:Sc-Si,5.0,A2B3_hP5_187_i_abc:Sc-Si +mp-1212379,Ho2Sc3Si4,-6.3398730408,-0.7994844658,0.0,-0.0290136894,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Ho-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Ho-Sc-Si +mp-13236,Ho5Si3,-5.5630234769,-0.6645236719000001,0.0,-0.0617140423,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Si,16.0,A5B3_hP16_193_dg_g:Ho-Si +mp-9969,ScSi,-6.6803239125000005,-0.8014303450000001,0.0,-0.1417727777,GGA,Cmcm,AB_oC8_63_c_c:Sc-Si,4.0,AB_oC8_63_c_c:Sc-Si +mp-1009752,ScSi,-5.351662405,0.5272311625,1.3286615075,1.1868887298,GGA,F-43m,AB_cF8_216_a_c:Sc-Si,2.0,AB_cF8_216_a_c:Sc-Si +mp-1209086,Sc5Si4,-6.6622437019,-0.7329528525,0.0418037828,0.0418037828,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Sc-Si,36.0,A5B4_oP36_62_c2d_2cd:Sc-Si +mp-1223930,Ho2Si3,-5.6518880540000005,-0.563733688,0.0923844849,0.0923844849,GGA,Imm2,A2B3_oI10_44_ab_2ab:Ho-Si,5.0,A2B3_oI10_44_ab_2ab:Ho-Si +mp-1184706,Ho3Si,-5.0151317488,-0.2219955888,0.2210201925,0.2210201925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Si,8.0,A3B_hP8_194_h_c:Ho-Si +mp-2841,ScSi2,-6.0504475267,-0.322745805,0.2115410917,0.2115410917,GGA,P6/mmm,AB2_hP3_191_a_d:Sc-Si,3.0,AB2_hP3_191_a_d:Sc-Si +mp-7822,Sc5Si3,-6.73370195,-0.7414144981,0.0,-0.1229855288,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Sc-Si,16.0,A5B3_hP16_193_dg_g:Sc-Si +mp-1190215,Sc5Si3,-6.2555601694,-0.2632727175,0.4781417806,0.3551562518,GGA,P6_3/mcm,A5B3_hP16_193_cg_g:Sc-Si,16.0,A5B3_hP16_193_cg_g:Sc-Si +mp-1077147,HoSi2,-5.62040101,-0.4760527,0.0782752583,0.0782752583,GGA,I4_1/amd,AB2_tI12_141_a_e:Ho-Si,6.0,AB2_tI12_141_a_e:Ho-Si +mp-1752,HoSi2,-5.60457391,-0.4602255999999999,0.0941023583,0.0941023583,GGA,P6/mmm,AB2_hP3_191_a_d:Ho-Si,3.0,AB2_hP3_191_a_d:Ho-Si +mp-1184707,Ho3Sc,-4.99999527,0.0199286587,0.0199286587,0.0199286587,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Sc,8.0,A3B_hP8_194_h_c:Ho-Sc +mp-1224213,HoScSi,-5.8622386139,-0.4155066122,0.2161895368,0.2161895368,GGA,Amm2,ABC_oC36_38_abde_df_abce:Ho-Sc-Si,18.0,ABC_oC36_38_abde_df_abce:Ho-Sc-Si +mp-12900,HoSi,-5.79297691,-0.78911346,0.0026737025,-0.1042287441,GGA,Pnma,AB_oP8_62_c_c:Ho-Si,8.0,AB_oP8_62_c_c:Ho-Si +mp-12899,HoSi,-5.7956506125,-0.7917871625,0.0,-0.1069024466,GGA,Cmcm,AB_oC8_63_c_c:Ho-Si,4.0,AB_oC8_63_c_c:Ho-Si +mp-13453,BePd3,-5.2017443212,-0.3819797475,0.0,-0.0023957338,GGA,Cmcm,AB3_oC16_63_c_cf:Be-Pd,8.0,AB3_oC16_63_c_cf:Be-Pd +mp-1183847,CoPd3,-5.6149370075,0.0470537987,0.0470537987,0.0470537987,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Pd,8.0,AB3_hP8_194_c_h:Co-Pd +mp-1183687,CoPd3,-5.6174570325,0.0445337737,0.0445337737,0.0445337737,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Pd,4.0,AB3_cP4_221_a_c:Co-Pd +mp-1183408,Be3Pd,-4.4127671125,-0.3132370113,0.0714471513,0.0714471513,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Pd,4.0,A3B_tI8_139_ad_b:Be-Pd +mp-13452,BePd2,-5.2058375133,-0.5061120183,0.0,-0.0538885792,GGA,I4/mmm,AB2_tI6_139_a_e:Be-Pd,3.0,AB2_tI6_139_a_e:Be-Pd +mp-650,Be5Pd,-4.294832965,-0.3153419425,0.0,-0.1065172683,GGA,F-43m,A5B_cF24_216_ae_c:Be-Pd,6.0,A5B_cF24_216_ae_c:Be-Pd +mp-1226001,CoPd,-6.04713961,0.0969601925,0.0969601925,0.0969601925,GGA,R-3m,AB_hR6_166_a_b:Co-Pd,2.0,AB_hR6_166_a_b:Co-Pd +mp-11274,BePd,-5.05235816,-0.5927108225000001,0.0,-0.1501888294,GGA,Pm-3m,AB_cP2_221_a_b:Be-Pd,2.0,AB_cP2_221_a_b:Be-Pd +mp-12666,Be12Pd,-3.9163090223,-0.0660908538,0.0794515812,0.0794515812,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Pd,13.0,A12B_tI26_139_fij_a:Be-Pd +mp-1226439,Co2Pd,-6.38930257,0.07620323,0.07620323,0.07620323,GGA,P-3m1,A2B_hP3_164_d_a:Co-Pd,3.0,A2B_hP3_164_d_a:Co-Pd +mp-1096569,Be2CoPd,-2.638524,2.3032323338,2.752525385,2.752525385,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Co-Pd,4.0,A2BC_oI8_71_e_a_b:Be-Co-Pd +mp-977386,LiLu2Tc,-5.42625962,-0.0983939071,0.005743536,0.005743536,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Tc +mp-973493,LiLu3,-3.6917793437,0.1761642629,0.1761642629,0.1761642629,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Lu,8.0,AB3_hP8_194_c_h:Li-Lu +mp-1185208,Li3Lu,-2.34973161,0.21219817,0.21219817,0.21219817,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Lu,8.0,A3B_hP8_194_h_c:Li-Lu +mp-977230,Li3Tc,-3.39752366,0.6243282262000001,0.6243282262000001,0.6243282262000001,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Tc,4.0,A3B_tI8_139_ad_b:Li-Tc +mp-976334,Li3Tc,-3.4073792025,0.6144726837000001,0.6144726837000001,0.6144726837000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Tc,4.0,A3B_cF16_225_ac_b:Li-Tc +mp-23267,BeCl2,-4.316295795,-1.8374670667,0.0,-1.8374670667,GGA,Ibam,AB2_oI12_72_a_j:Be-Cl,6.0,AB2_oI12_72_a_j:Be-Cl +mp-570974,BeCl2,-4.307286154,-1.8284574256,0.009009641,-1.8284574256,GGA,I4_1/acd,AB2_tI96_142_g_deg:Be-Cl,48.0,"Invalid WP multiplicities - AB2_tI96_142_g_8d6e7g:Be-Cl, expected BeCl14 to be BeCl2" +mp-569030,BeCl2,-4.2974091567,-1.8185804283,0.0188866383,-1.8185804283,GGA,P3_221,AB2_hP27_154_ac_3c:Be-Cl,27.0,"Invalid WP multiplicities - AB2_hP27_154_3a3c_15c:Be-Cl, expected Be3Cl10 to be BeCl2" +mp-570227,BeCl2,-4.3102518865,-1.8314231582,0.0060439085,-1.8314231582,GGA,I-43m,AB2_cI144_217_h_fgh:Be-Cl,72.0,"Invalid WP multiplicities - AB2_cI144_217_h_11f9g15h:Be-Cl, expected BeCl25 to be BeCl2" +mp-1172909,BeCl2,-1.1562047136,1.3226240147,3.1600910814,1.3226240147,GGA,I-43m,AB2_cI36_217_d_g:Be-Cl,36.0,AB2_cI36_217_d_g:Be-Cl +mp-1190080,BeCl2,-4.2897870544,-1.8109583261,0.0265087406,-1.8109583261,GGA,I-43m,AB2_cI36_217_d_g:Be-Cl,18.0,AB2_cI36_217_d_g:Be-Cl +mp-30096,Be2Te7Cl6,-3.6260883183,-0.9212091888,0.0,-0.0028907701,GGA,Pnnm,A2B6C7_oP30_58_f_gh_aeh:Be-Cl-Te,30.0,A2B6C7_oP30_58_f_gh_aeh:Be-Cl-Te +mp-1183441,BeTe,-4.0059017725,-0.5645423933,0.0058195475,-0.5645423933,GGA,P6_3mc,AB_hP4_186_b_b:Be-Te,4.0,AB_hP4_186_b_b:Be-Te +mp-252,BeTe,-4.01172132,-0.5703619408,0.0,-0.5703619408,GGA,F-43m,AB_cF8_216_a_c:Be-Te,2.0,AB_cF8_216_a_c:Be-Te +mp-1095968,NbCrTc2,-6.161520505,3.957387095,4.0221520763,4.0221520763,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Cr-Nb-Tc +mp-1104033,Nb6Cr7,-9.8469080938,0.0130274854,0.0368280615,0.0368280615,GGA,R-3m,A7B6_hR39_166_ah_3c:Cr-Nb,13.0,A7B6_hR39_166_ah_3c:Cr-Nb +mp-999392,NbCr3,-9.40587029,0.3592415725,0.3813421075,0.3813421075,GGA,I4/mmm,A3B_tI8_139_ad_b:Cr-Nb,4.0,A3B_tI8_139_ad_b:Cr-Nb +mp-999393,NbCr3,-9.24419027,0.5209215925,0.5430221275,0.5430221275,GGA,Pm-3m,A3B_cP4_221_c_a:Cr-Nb,4.0,A3B_cP4_221_c_a:Cr-Nb +mp-999390,NbCr3,-9.6649832575,0.100128605,0.12222914,0.12222914,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-Nb,4.0,A3B_cF16_225_ac_b:Cr-Nb +mp-1093888,Nb2CrTc,-6.1001736075,3.9539005162,4.042388335,4.042388335,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Cr-Nb-Tc +mp-999441,Nb3Cr,-9.7135484375,0.27569221,0.2867424775,0.2867424775,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Nb,4.0,AB3_tI8_139_a_bd:Cr-Nb +mp-999446,Nb3Cr,-9.600180985,0.3890596625,0.40010993,0.40010993,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Nb,4.0,AB3_cP4_221_a_c:Cr-Nb +mp-999439,Nb3Cr,-9.8904801225,0.098760525,0.1098107925,0.1098107925,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Nb,4.0,AB3_cF16_225_a_bc:Cr-Nb +mp-1077258,Nb2Cr,-9.3005195633,0.6513662867000001,0.6660999767,0.6660999767,GGA,Fd-3m,AB2_cF24_227_a_d:Cr-Nb,6.0,AB2_cF24_227_a_d:Cr-Nb +mp-1220609,NbCr2,-9.6024157808,0.2000508792,0.2295182592,0.2000508792,GGA,I-4m2,A2B_tI48_119_g3i_efh:Cr-Nb,24.0,A2B_tI48_119_g3i_efh:Cr-Nb +mp-1095643,NbCr2,-9.81267856,-0.0102119,0.01925548,-0.0102119,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cr-Nb,12.0,A2B_hP12_194_ah_f:Cr-Nb +mp-1191777,NbCr2,-9.8224450117,-0.0199783517,0.0094890283,-0.0199783517,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Cr-Nb,24.0,A2B_hP24_194_fgh_ef:Cr-Nb +mp-548,NbCr2,-9.83193404,-0.02946738,0.0,-0.02946738,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Nb,6.0,A2B_cF24_227_c_b:Cr-Nb +mp-1210078,Nb4Cr,-8.77827248,1.233381046,1.24222126,1.24222126,GGA,Fd-3m,AB4_cF40_227_a_e:Cr-Nb,10.0,AB4_cF40_227_a_e:Cr-Nb +mp-1096384,NbCr2Tc,-6.12531946,3.8166902712,3.8814552525,3.8814552525,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Nb-Tc,4.0,A2BC_oI8_71_e_a_b:Cr-Nb-Tc +mp-1220345,NbSnSb,-6.3328534,-0.2528940217,0.016161185,0.016161185,GGA,Fmmm,ABC_oF24_69_f_g_h:Nb-Sb-Sn,6.0,ABC_oF24_69_f_g_h:Nb-Sb-Sn +mp-1220795,Nb12Sn3Sb,-8.7899368394,-0.2041007591,0.0001506331,0.0001506331,GGA,Pmmm,A12BC3_oP16_47_2knpw_a_bl:Nb-Sb-Sn,16.0,"Invalid WP multiplicities - A12BC3_oP16_47_2j2l4m2v_b_fn:Nb-Sb-Sn, expected Nb24Sn3Sb to be Nb12Sn3Sb" +mp-1192223,Nb6Sn5,-7.4835216295,-0.1511862191,0.0005242445,0.0005242445,GGA,Immm,A6B5_oI44_71_egkl_fghl:Nb-Sn,22.0,A6B5_oI44_71_egkl_fghl:Nb-Sn +mp-1186237,NbSn3,-5.2224970363,0.310008115,0.4143397162,0.4143397162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Sn,8.0,AB3_hP8_194_c_h:Nb-Sn +mp-1046,NbSn2,-6.179258385,-0.1391088017,0.0,-0.0467172233,GGA,Fddd,AB2_oF48_70_e_ef:Nb-Sn,12.0,AB2_oF48_70_e_ef:Nb-Sn +mp-1218972,Sn3Sb,-4.04923662,-0.0098074188,0.03214927,0.03214927,GGA,C222,AB3_oC8_21_a_ck:Sb-Sn,4.0,AB3_oC8_21_a_ck:Sb-Sn +mp-1187037,Sn3Sb,-4.0005737625,0.0388554387,0.0808121275,0.0808121275,GGA,Pm-3m,AB3_cP4_221_a_c:Sb-Sn,4.0,AB3_cP4_221_a_c:Sb-Sn +mp-1326,Nb3Sn,-8.74223381,-0.1638620663,0.0,-0.0807096457,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Sn,8.0,A3B_cP8_223_c_a:Nb-Sn +mp-1179352,SnSb,-4.0678698713,0.0014166762,0.0853300537,0.0079549554,GGA,Cmmm,AB_oC4_65_a_d:Sb-Sn,8.0,AB_oC4_65_a_d:Sb-Sn +mp-1218920,SnSb,-4.122306665,-0.0530201175,0.03089326,-0.0464818383,GGA,P4/mmm,AB_tP2_123_a_b:Sb-Sn,2.0,AB_tP2_123_a_b:Sb-Sn +mp-1218916,SnSb,-4.035928135,0.0333584125,0.11727179,0.0398966917,GGA,R3m,AB_hR6_160_a_a:Sb-Sn,2.0,AB_hR6_160_a_a:Sb-Sn +mp-16365,SnSb,-3.996032285,0.0732542625,0.15716764,0.0797925417,GGA,F-43m,AB_cF8_216_a_c:Sb-Sn,2.0,AB_cF8_216_a_c:Sb-Sn +mp-1625,SnSb,-4.01602897,0.0532575775,0.137170955,0.0597958567,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Sn,2.0,AB_cP2_221_a_b:Sb-Sn +mp-10635,SnSb,-4.153199925,-0.0839133775,0.0,-0.0773750983,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Sn,2.0,AB_cF8_225_a_b:Sb-Sn +mp-23294,RuBr3,-4.2684241431,-0.7850522606,0.0011860869,-0.7850522606,GGA,Pmmn,A3B_oP16_59_ab2e_f:Br-Ru,16.0,A3B_hP8_193_g_b:Br-Ru +mp-22892,RuBr3,-4.26961023,-0.7862383475,0.0,-0.7862383475,GGA,P6_3/mcm,A3B_hP8_193_g_b:Br-Ru,8.0,A3B_hP8_193_g_b:Br-Ru +mp-30985,Tb6Br7,-4.5941188769,-1.6189346531000002,0.0445408965,0.0445408965,GGA,C2/m,A7B6_mC26_12_a3i_3i:Br-Tb,13.0,A7B6_mC26_12_a3i_3i:Br-Tb +mp-27924,TbBr,-4.628040985,-1.53434377,0.0103120975,0.0103120975,GGA,R-3m,AB_hR12_166_c_c:Br-Tb,4.0,AB_hR12_166_c_c:Br-Tb +mp-1189033,Tb3Ru,-6.1006888337,-0.3063136237,0.0,-0.0092560387,GGA,Pnma,AB3_oP16_62_c_cd:Ru-Tb,16.0,AB3_oP16_62_c_cd:Ru-Tb +mp-31007,Tb5Br8,-4.6191410015,-1.88098276,0.0201321538,0.0201321538,GGA,C2/m,A8B5_mC26_12_4i_a2i:Br-Tb,13.0,"Invalid WP multiplicities - A8B5_mC26_12_5i_a2i:Br-Tb, expected TbBr2 to be Tb5Br8" +mp-1188684,Tb6RuBr10,-5.0300927729,-1.9353349824,0.0,-0.0474709191,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Ru-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Br-Ru-Tb +mp-1104420,Tb5Ru2,-6.29958518,-0.3394943829,0.0,-0.0331645284,GGA,C2/c,A2B5_mC28_15_f_e2f:Ru-Tb,14.0,A2B5_mC28_15_f_e2f:Ru-Tb +mp-863746,TbBr3,-4.6403465738000005,-2.3169838013,0.0,-1.0943450073,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Tb,8.0,A3B_hP8_194_h_c:Br-Tb +mp-1187366,TbRu3,-7.91704382,0.19734961,0.4272268469,0.4272268469,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Tb,4.0,A3B_cP4_221_c_a:Ru-Tb +mp-1101970,TbRu2,-8.0342267092,-0.3065029825,0.0,-0.1480722705,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Tb,12.0,A2B_hP12_194_ah_f:Ru-Tb +mp-1104698,Eu3Pt2,-9.464745314,-0.8820909060000001,0.0,-0.0260893706,GGA,R-3,A3B2_hR45_148_acf_f:Eu-Pt,15.0,A3B2_hR45_148_acf_f:Eu-Pt +mp-22797,EuPt2,-8.4294597517,-0.9630369383,0.0,-0.4144740082,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-Pt,6.0,AB2_cF24_227_a_d:Eu-Pt +mp-1196458,Eu5Pt4,-9.3108873592,-0.9142715503,0.0,-0.0186896389,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Eu-Pt,36.0,A5B4_oP36_62_c2d_2cd:Eu-Pt +mp-1213212,Eu4Pt,-9.569668368,-0.149840264,0.344474784,0.344474784,GGA,Fd-3m,A4B_cF40_227_e_a:Eu-Pt,10.0,A4B_cF40_227_e_a:Eu-Pt +mp-867502,Eu2PtAu,-8.320735635,-0.855980905,0.0177158736,0.0177158736,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Eu-Pt,4.0,AB2C_cF16_225_a_c_b:Au-Eu-Pt +mp-1104413,Eu5Pt2,-9.7672037314,-0.7061643543,0.0,-0.0760994214,GGA,C2/c,A5B2_mC28_15_e2f_f:Eu-Pt,14.0,A5B2_mC28_15_e2f_f:Eu-Pt +mp-1018148,ScAu2,-5.1122052133,-0.8187941783,0.0,-0.1546738044,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Sc,3.0,A2B_tI6_139_e_a:Au-Sc +mp-1068446,ScAu4,-4.434535984,-0.548936563,0.0,-0.057660056,GGA,I4/m,A4B_tI10_87_h_a:Au-Sc,5.0,A4B_tI10_87_h_a:Au-Sc +mp-972895,ScAu3,-4.6286328475000005,-0.5901040712,0.0600290975,0.0600290975,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Sc,8.0,A3B_hP8_194_h_c:Au-Sc +mp-1186977,ScAu3,-4.62415663,-0.5856278538,0.064505315,0.064505315,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Sc,4.0,A3B_cF16_225_ac_b:Au-Sc +mp-1186989,ScOs3,-9.8992975225,0.1043453262,0.3894074194,0.3894074194,GGA,I4/mmm,A3B_tI8_139_ad_b:Os-Sc,4.0,A3B_tI8_139_ad_b:Os-Sc +mp-981384,ScOs3,-9.9046095325,0.0990333162,0.3840954094,0.3840954094,GGA,Pm-3m,A3B_cP4_221_c_a:Os-Sc,4.0,A3B_cP4_221_c_a:Os-Sc +mp-568623,Sc44Os7,-7.2019465726,-0.1976286779,0.0,-0.0068004438,GGA,F-43m,A7B44_cF408_216_2ef_4efg5h:Os-Sc,102.0,"Invalid WP multiplicities - A7B44_cF408_216_7e4f_16e5f6g54h:Os-Sc, expected Sc389Os26 to be Sc44Os7" +mp-1186981,Sc3Os,-7.7294115662,-0.17321788,0.1752379326,0.1752379326,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Sc,8.0,AB3_hP8_194_c_h:Os-Sc +mp-12305,Sc11Os4,-8.0085273227,-0.3707519977,0.0,-0.1285234255,GGA,Fm-3m,A4B11_cF120_225_abd_e2f:Os-Sc,30.0,A4B11_cF120_225_abd_e2f:Os-Sc +mp-11256,ScAu,-5.61127569,-0.8081001375,0.0,-0.0734029458,GGA,Pm-3m,AB_cP2_221_a_b:Au-Sc,2.0,AB_cP2_221_a_b:Au-Sc +mp-567612,ScOs2,-9.9758174458,-0.3800827908,0.0,-0.2115591555,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Sc,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Os-Sc, expected ScOs4 to be ScOs2" +mp-1209057,Sc2Au,-5.963540275,-0.650600205,0.0,-0.11186678,GGA,Pnma,AB2_oP12_62_c_2c:Au-Sc,12.0,AB2_oP12_62_c_2c:Au-Sc +mp-972966,Sc2OsAu,-7.3805473475,-0.5890004375,0.0031471114,0.0031471114,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Os-Sc +mp-1186365,OsAu3,-4.6072873225,0.6549660350000001,0.6549660350000001,0.6549660350000001,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Os,4.0,A3B_tI8_139_ad_b:Au-Os +mp-977310,OsAu3,-4.57324122,0.6890121375,0.6890121375,0.6890121375,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Os,4.0,A3B_cP4_221_c_a:Au-Os +mp-2395,Sb3Rh,-5.4778698475,-0.54004195,0.0,-0.0976160662,GGA,Im-3,AB3_cI32_204_c_g:Rh-Sb,16.0,AB3_cI32_204_c_g:Rh-Sb +mp-20619,SbRh,-6.3387385063,-0.5920839513,0.0,-0.1170687771,GGA,Pnma,AB_oP8_62_c_c:Rh-Sb,8.0,AB_oP8_62_c_c:Rh-Sb +mp-21359,SbRh2,-6.6460014967,-0.36012917,0.0345934642,0.0345934642,GGA,Pnma,A2B_oP12_62_2c_c:Rh-Sb,12.0,A2B_oP12_62_2c_c:Rh-Sb +mp-31453,NbSbRh,-7.5987705133,-0.4005657967,0.0736897111,0.0736897111,GGA,F-43m,ABC_cF12_216_a_c_b:Nb-Rh-Sb,3.0,ABC_cF12_216_a_c_b:Nb-Rh-Sb +mp-2682,Sb2Rh,-5.7973379617,-0.5899011783,0.0,-0.0325118946,GGA,P2_1/c,AB2_mP12_14_e_2e:Rh-Sb,12.0,AB2_mP12_14_e_2e:Rh-Sb +mp-973342,SbRh3,-6.81304548,-0.2575642675,0.0384777081,0.0384777081,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Sb,4.0,A3B_cP4_221_c_a:Rh-Sb +mp-1023619,Mg15Zr,-2.0165210725,0.0179727638,0.0380985863,0.0380985863,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Zr,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Zr, expected Mg27Zr to be Mg15Zr" +mp-1027852,Mg14ZrNb,-2.4903965837,0.0754113144,0.0941954155,0.0941954155,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Zr, expected Mg18ZrNb to be Mg14ZrNb" +mp-1027833,Mg14ZrNb,-2.4484045063,0.1174033919,0.136187493,0.136187493,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Zr, expected Mg26ZrNb to be Mg14ZrNb" +mp-1094770,MgZr,-4.9757654225,0.0982249175,0.1089586895,0.1089586895,GGA,Pmma,AB_oP4_51_e_f:Mg-Zr,4.0,AB_oP4_51_e_f:Mg-Zr +mp-1094974,MgZr,-4.997460965,0.076529375,0.087263147,0.087263147,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Zr,2.0,AB_tP2_123_a_d:Mg-Zr +mp-1094479,MgZr,-5.01734608,0.05664426,0.067378032,0.067378032,GGA,R-3m,AB_hR6_166_a_b:Mg-Zr,2.0,AB_hR6_166_a_b:Mg-Zr +mp-1094882,MgZr,-5.01080751,0.06318283,0.073916602,0.073916602,GGA,P-6m2,AB_hP2_187_a_d:Mg-Zr,2.0,AB_hP2_187_a_d:Mg-Zr +mp-1094743,MgZr,-4.986195795,0.087794545,0.098528317,0.098528317,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Zr,2.0,AB_cP2_221_a_b:Mg-Zr +mp-1185904,MgNb3,-7.70362303,0.2724257625,0.2765662801,0.2765662801,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Nb,4.0,AB3_tI8_139_a_bd:Mg-Nb +mp-1185899,MgNb3,-7.71920332,0.2568454725,0.2609859901,0.2609859901,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Nb,4.0,AB3_cP4_221_a_c:Mg-Nb +mp-1185897,MgNb3,-7.711673325,0.2643754675,0.2685159851,0.2685159851,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Nb,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Nb, expected MgNb5 to be MgNb3" +mp-1016217,Mg3Zr,-3.233118055,0.10401714,0.1201177981,0.1201177981,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Zr,4.0,A3B_oP4_25_abc_d:Mg-Zr +mp-1094466,Mg3Zr,-3.295008795,0.0421264,0.0582270581,0.0582270581,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Zr,8.0,A3B_hP8_194_h_c:Mg-Zr +mp-1094792,Mg3Zr,-3.3009947025,0.0361404925,0.0522411506,0.0522411506,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Zr,4.0,A3B_cP4_221_c_a:Mg-Zr +mp-1094467,Mg3Zr,-3.2289915925,0.1081436025,0.1242442606,0.1242442606,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Zr,4.0,A3B_cF16_225_ac_b:Mg-Zr +mp-1023502,Mg15Nb,-2.0608199088,0.0707742031,0.0863011439,0.0863011439,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Nb,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Nb, expected Mg27Nb to be Mg15Nb" +mp-1022466,Mg6ZrNb,-3.345637085,0.1856986612,0.2017993193,0.2017993193,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Zr, expected Mg12ZrNb to be Mg6ZrNb" +mp-1022478,Mg6ZrNb,-3.4053026263,0.12603312,0.1421337781,0.1421337781,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Zr, expected Mg12ZrNb to be Mg6ZrNb" +mp-1061732,MgZr2,-6.20123713,0.03065664,0.037812488,0.037812488,GGA,R-3m,AB2_hR9_166_a_c:Mg-Zr,3.0,AB2_hR9_166_a_c:Mg-Zr +mp-1063020,MgNb2,-7.00646507,0.2611649733,0.2666856634,0.2666856634,GGA,C2/m,AB2_mC6_12_a_i:Mg-Nb,3.0,AB2_mC6_12_a_i:Mg-Nb +mp-1061772,MgNb2,-7.1198957367,0.1477343067,0.1532549967,0.1532549967,GGA,Fmmm,AB2_oF12_69_a_g:Mg-Nb,3.0,AB2_oF12_69_a_g:Mg-Nb +mp-1061635,MgNb2,-6.9781888333,0.28944121,0.2949619001,0.2949619001,GGA,R-3m,AB2_hR9_166_a_c:Mg-Nb,3.0,AB2_hR9_166_a_c:Mg-Nb +mp-1215202,ZrNb,-9.21367461,0.110828225,0.110828225,0.110828225,GGA,Cmmm,AB_oC4_65_a_c:Nb-Zr,2.0,AB_oC4_65_a_c:Nb-Zr +mp-1016331,Mg7Nb,-2.5076483262,0.1552598475,0.1697516589,0.1697516589,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Nb,8.0,A7B_hP8_187_ajk_d:Mg-Nb +mp-1079163,Mg7Nb,-2.5502583988,0.112649775,0.1271415864,0.1271415864,GGA,Fm-3m,A7B_cF32_225_ad_b:Mg-Nb,8.0,A7B_cF32_225_ad_b:Mg-Nb +mp-1016284,Mg7Zr,-2.4106614438,0.0580461788,0.0768302798,0.0768302798,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Zr,8.0,A7B_hP8_187_ajk_d:Mg-Zr +mp-1185589,Mg149Nb,-1.6734052063,-0.0164516564,0.0,-0.0164516564,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Nb,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Nb, expected Mg315Nb to be Mg149Nb" +mp-1016220,Mg3Nb,-3.4689935050000003,0.2565427925,0.2689643452,0.2689643452,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Nb,4.0,A3B_oP4_25_abc_d:Mg-Nb +mp-1094472,MgZr3,-6.798439465,0.01240602,0.017772906,0.017772906,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Zr,4.0,AB3_tI8_139_a_bd:Mg-Zr +mp-978270,MgZr3,-6.77697745,0.033868035,0.039234921,0.039234921,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Zr,8.0,AB3_hP8_194_c_h:Mg-Zr +mp-1094768,MgZr3,-6.79912643,0.011719055,0.017085941,0.017085941,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Zr,4.0,AB3_cP4_221_a_c:Mg-Zr +mp-1094471,MgZr3,-6.6896555925,0.1211898925,0.1265567785,0.1265567785,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Zr,4.0,AB3_cF16_225_a_bc:Mg-Zr +mp-1185655,Mg149Zr,-1.6679206143,-0.0213244271,0.0,-0.0213244271,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Zr,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Zr, expected Mg309Zr to be Mg149Zr" +mp-1226063,CoNi,-6.338299655,0.1059275825,0.1231198525,0.1231198525,GGA,Cmmm,AB_oC4_65_a_c:Co-Ni,2.0,AB_oC4_65_a_c:Co-Ni +mp-1226076,CoNi,-6.437923205,0.0063040325,0.0234963025,0.0234963025,GGA,R-3m,AB_hR6_166_a_b:Co-Ni,2.0,AB_hR6_166_a_b:Co-Ni +mp-1006883,CoNi,-6.291841815,0.1523854225,0.1695776925,0.1695776925,GGA,Pm-3m,AB_cP2_221_a_b:Co-Ni,2.0,AB_cP2_221_a_b:Co-Ni +mp-1226559,Co3Ni,-6.77878303,-0.0025105137,0.0232778913,-0.0025105137,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Ni,4.0,A3B_hP4_187_ah_b:Co-Ni +mp-1183837,Co3Ni,-6.8020609212,-0.025788405,0.0,-0.025788405,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Ni,8.0,A3B_hP8_194_h_c:Co-Ni +mp-1008349,Co3Ni,-6.77619016,8.23563e-05,0.0258707613,8.23563e-05,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Ni,4.0,A3B_cP4_221_c_a:Co-Ni +mp-1183785,CoNi3,-6.0970822375,0.0150997213,0.0236958563,0.0236958563,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Ni,8.0,AB3_hP8_194_c_h:Co-Ni +mp-1183751,CoNi3,-6.1013248775,0.0108570813,0.0194532163,0.0194532163,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Ni,4.0,AB3_cP4_221_a_c:Co-Ni +mp-865168,Be3Ni,-4.53327952,-0.2836857012,0.0,-0.049545075,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Ni,4.0,A3B_tI8_139_ad_b:Be-Ni +mp-984315,Be3Ni,-4.5301950612,-0.2806012425,0.0030844588,-0.0464606162,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-Ni,8.0,A3B_hP8_194_h_c:Be-Ni +mp-1033,BeNi,-5.228056025,-0.4682812525,0.0,-0.245823605,GGA,Pm-3m,AB_cP2_221_a_b:Be-Ni,2.0,AB_cP2_221_a_b:Be-Ni +mp-867271,Be2CoNi,-5.510443555,-0.4186235038,0.0,-0.0315452375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Co-Ni,4.0,A2BC_cF16_225_c_a_b:Be-Co-Ni +mp-1183432,BeNi3,-5.428901825,-0.1589460987,0.0751945275,0.0751945275,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Ni,4.0,AB3_tI8_139_a_bd:Be-Ni +mp-984717,BeNi3,-5.43118532,-0.1612295937,0.0729110325,0.0729110325,GGA,Pm-3m,AB3_cP4_221_a_c:Be-Ni,4.0,AB3_cP4_221_a_c:Be-Ni +mp-1227597,Be46Ir7,-4.6182674057,-0.2053988953,0.0383814558,0.0383814558,GGA,P3m1,A46B7_hP53_156_6a6b7c9d_6ab:Be-Ir,53.0,"Invalid WP multiplicities - A46B7_hP53_156_6a6b7c27d_6ab:Be-Ir, expected Be100Ir7 to be Be46Ir7" +mp-1097269,HfBeIr2,-5.197340405,2.6460271587,3.388191695,3.388191695,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Hf-Ir,4.0,ABC2_oI8_71_a_b_e:Be-Hf-Ir +mp-1184576,HfBeIr2,-8.5690203525,-0.7256527888000001,0.0165117475,0.0165117475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Hf-Ir,4.0,ABC2_cF16_225_a_b_c:Be-Hf-Ir +mp-862714,Be3Ir,-5.4756095725,-0.4614413788,0.0,-0.2839499421,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Ir,4.0,A3B_tI8_139_ad_b:Be-Ir +mp-1183225,Ag3Rh,-3.7427557375,0.2227382325,0.2227382325,0.2227382325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Rh,8.0,A3B_hP8_194_h_c:Ag-Rh +mp-985297,Ag3Rh,-3.7438452275,0.2216487425,0.2216487425,0.2216487425,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Rh,4.0,A3B_cP4_221_c_a:Ag-Rh +mp-1183156,Ag3Rh,-3.7365691075,0.2289248625,0.2289248625,0.2289248625,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Rh,4.0,A3B_cF16_225_ac_b:Ag-Rh +mp-972530,Sm2AgRh,-5.400379705,-0.4918706692,0.0240129946,0.0240129946,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Rh-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-Rh-Sm +mp-1219378,Sm14Ag51,-3.485083542,-0.2463056642,0.0,-0.0686564732,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Sm,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Sm, expected Sm14Ag71 to be Sm14Ag51" +mp-2475,SmAg,-4.05268086,-0.2771097908,0.0,-0.120150299,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Sm,2.0,AB_cP2_221_a_b:Ag-Sm +mp-978790,Sm3Ag,-4.2293554975,0.0177231046,0.156278,0.156278,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Sm,4.0,AB3_tI8_139_a_bd:Ag-Sm +mp-979714,Sm3Ag,-4.2286061213,0.0184724808,0.1570273762,0.1570273762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Sm,8.0,AB3_hP8_194_c_h:Ag-Sm +mp-972557,SmAg3,-3.5079260762,-0.20386254,0.046189572,0.046189572,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Sm,8.0,A3B_hP8_194_h_c:Ag-Sm +mp-862736,SmAg3,-3.51026349,-0.2061999537,0.0438521582,0.0438521582,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Sm,4.0,A3B_cF16_225_ac_b:Ag-Sm +mp-1183233,AgRh,-4.83512652,0.2633054167,0.2633054167,0.2633054167,GGA,P-6m2,AB_hP2_187_a_d:Ag-Rh,2.0,AB_hP2_187_a_d:Ag-Rh +mp-1096460,Sc2TcRu,-5.232639385,2.8423555388,3.2590454075,3.2590454075,GGA,Immm,AB2C_oI8_71_a_e_b:Ru-Sc-Tc,4.0,AB2C_oI8_71_a_e_b:Ru-Sc-Tc +mp-1207242,PrPb2,-4.1887956833,-0.120062385,0.3525717383,0.3220395353,GGA,I4/mmm,A2B_tI6_139_e_a:Pb-Pr,3.0,A2B_tI6_139_e_a:Pb-Pr +mp-1103021,PrPb2,-4.5413674217,-0.4726341233,0.0,-0.030532203,GGA,I4_1/amd,A2B_tI24_141_2e_e:Pb-Pr,12.0,A2B_tI24_141_2e_e:Pb-Pr +mp-1188302,Pr5Pb3,-4.9036396881,-0.52333094,0.0,-0.0337514937,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Pr,16.0,A3B5_hP16_193_g_dg:Pb-Pr +mp-1210858,Pr12Ni6Pb,-5.3066932358,-0.2664650142,0.0,-0.0041955192,GGA,Im-3,A6BC12_cI38_204_e_a_g:Ni-Pb-Pr,19.0,A6BC12_cI38_204_e_a_g:Ni-Pb-Pr +mp-641069,Pr5NiPb3,-5.0251880278,-0.4893428428,0.0151114113,0.0151114113,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ni-Pb-Pr,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_2d2g:Ni-Pb-Pr, expected Pr10NiPb3 to be Pr5NiPb3" +mp-1191011,Pr5Ni19,-5.8477768038,-0.2758132331,0.0031810827,0.0018079558,GGA,R-3m,A19B5_hR72_166_a3c2h_b2c:Ni-Pr,24.0,A19B5_hR72_166_a3c2h_b2c:Ni-Pr +mp-1199510,Pr5Ni19,-5.8509578865,-0.2789943158,0.0,-0.0013731269,GGA,P6_3/mmc,A19B5_hP48_194_abcef2k_d2f:Ni-Pr,48.0,A19B5_hP48_194_abcef2k_d2f:Ni-Pr +mp-21481,Pr3Pb,-4.8456544575,-0.3318133738,0.0170739196,0.0170739196,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Pr,4.0,AB3_cP4_221_a_c:Pb-Pr +mp-2370,PrNi5,-5.8745721417,-0.2609739492,0.0,-0.0377784965,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Pr,6.0,A5B_hP6_191_cg_a:Ni-Pr +mp-1189469,Pr7Ni3,-5.2620544895,-0.181379457,0.001095262,0.001095262,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ni-Pr,20.0,A3B7_hP20_186_c_b2c:Ni-Pr +mp-1222239,Pr31Ni64,-5.739067648,-0.2849957962,0.0040604396,0.0040604396,GGA,R3m,A64B31_hR285_160_4a12b4c_7a8b:Ni-Pr,95.0,"Invalid WP multiplicities - A64B31_hR285_160_4a36b24c_7a24b:Ni-Pr, expected Pr79Ni256 to be Pr31Ni64" +mp-11799,PrNi,-5.573386995,-0.2928657775,0.0,-0.0560296883,GGA,Cmcm,AB_oC8_63_c_c:Ni-Pr,4.0,AB_oC8_63_c_c:Ni-Pr +mp-1189779,Pr2Ni7,-5.8412020594000005,-0.2831166961,5.35728e-05,-0.0013263701,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Pr,18.0,A7B2_hR54_166_a2cdh_2c:Ni-Pr +mp-1201333,Pr2Ni7,-5.8412556322,-0.2831702689,0.0,-0.0013799429,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Pr,36.0,A7B2_hP36_194_aefhk_2f:Ni-Pr +mp-1106122,Pr3Ni,-5.1855904406,-0.1548769544,0.0,-0.0037274069,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Pr,16.0,AB3_oP16_62_c_cd:Ni-Pr +mp-1102445,PrNi3,-5.8177112950000005,-0.2873823462,0.0,-0.0032425265,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Pr,12.0,A3B_hR36_166_ach_bc:Ni-Pr +mp-20939,PrPb3,-4.3711416575,-0.3914299162,0.0,-0.0369543237,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Pr,4.0,A3B_cP4_221_c_a:Pb-Pr +mp-2016,PrNi2,-5.7240414117,-0.2769817067,0.01222845,0.01222845,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Pr,6.0,A2B_cF24_227_c_b:Ni-Pr +mp-1198681,Pr5Pb4,-4.8833513817,-0.5772272644,0.0,-0.0659669951,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Pr,36.0,A4B5_oP36_62_2cd_c2d:Pb-Pr +mp-1184578,Ho3Bi,-4.72284931,-0.325920375,0.1289945802,0.1289945802,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Ho,4.0,AB3_cP4_221_a_c:Bi-Ho +mp-1196727,Ho5Bi2Pd,-5.1644357656,-0.6928227131,0.0011414067,0.0011414067,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Bi-Ho-Pd,32.0,A2B5C_oP32_62_d_3cd_c:Bi-Ho-Pd +mp-1009132,HoBiPd,-5.4830163633,-0.9487564267,0.0,-0.1590975793,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ho-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Ho-Pd +mp-1104206,Ho3Pd4,-5.8787651171,-0.9549431386,0.0,-0.0225144779,GGA,R-3,A3B4_hR42_148_f_abf:Ho-Pd,14.0,A3B4_hR42_148_f_abf:Ho-Pd +mp-1184745,HoBi3,-4.3732214875,-0.3472524225,0.07870899,0.07870899,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Ho,4.0,A3B_tI8_139_ad_b:Bi-Ho +mp-1184746,HoBi3,-4.3750569388,-0.3490878738,0.0768735387,0.0768735387,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Ho,8.0,A3B_hP8_194_h_c:Bi-Ho +mp-31465,Ho5Bi3,-4.9865614003,-0.6823724328,0.0,-0.0434303141,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Ho,32.0,A3B5_oP32_62_cd_3cd:Bi-Ho +mp-1196496,Ho5Bi3,-4.9782180378,-0.6740290703,0.0083433625,-0.0350869516,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Ho,32.0,A3B5_oP32_62_cd_3cd:Bi-Ho +mp-12544,Ho3Pd2,-5.569212418,-0.747814372,0.00668714,0.00668714,GGA,P4/mbm,A3B2_tP10_127_ah_g:Ho-Pd,10.0,A3B2_tP10_127_ah_g:Ho-Pd +mp-1227388,Bi3Pd5,-4.88935372,-0.211744165,0.100788466,0.100788466,GGA,P-6m2,A3B5_hP8_187_ah_b2i:Bi-Pd,8.0,"Invalid WP multiplicities - A3B5_hP8_187_ah_b3i:Bi-Pd, expected Bi3Pd7 to be Bi3Pd5" +mp-30464,Bi2Pd5,-5.0861082886,-0.2889101014,0.0,-0.004768153,GGA,C2/m,A2B5_mC28_12_2i_g2ij:Bi-Pd,14.0,A2B5_mC28_12_2i_g2ij:Bi-Pd +mp-1001913,HoBi,-4.79349428,-0.58204528,0.269877545,-0.0107677002,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Ho,2.0,AB_cP2_221_a_b:Bi-Ho +mp-22866,HoBi,-5.063371825,-0.851922825,0.0,-0.2806452452,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Ho,2.0,AB_cF8_225_a_b:Bi-Ho +mp-1062597,HoPd2,-5.6136204,-0.6328962367000001,0.2957748747,0.2957748747,GGA,I4/mmm,AB2_tI6_139_a_d:Ho-Pd,3.0,AB2_tI6_139_a_d:Ho-Pd +mp-30463,BiPd3,-5.1189318844,-0.2738982444,0.0,-0.0211019056,GGA,Pmma,AB3_oP16_51_af_behk:Bi-Pd,16.0,AB3_oP16_51_af_behk:Bi-Pd +mp-1227285,BiPd3,-5.093367595,-0.248333955,0.0255642894,0.0044623838,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Pd,4.0,AB3_cF16_225_a_bc:Bi-Pd +mp-1087502,HoPd,-5.82427223,-0.94312689,0.0,-0.0744874042,GGA,Pnma,AB_oP8_62_c_c:Ho-Pd,8.0,AB_oP8_62_c_c:Ho-Pd +mp-832,HoPd,-5.7945218050000005,-0.913376465,0.029750425,-0.0447369792,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Pd,2.0,AB_cP2_221_a_b:Ho-Pd +mp-1198800,Bi3Pd8,-5.0833937825,-0.2688008852,0.0146503591,0.0146503591,GGA,R3,A3B8_hR132_146_6a2b_8a8b:Bi-Pd,44.0,"Invalid WP multiplicities - A3B8_hR132_161_6ab_8a4b:Bi-Pd, expected Bi9Pd20 to be Bi3Pd8" +mp-568746,Bi2Pd,-4.5596676383,-0.2727142817,0.0,-0.0423114999999999,GGA,C2/m,A2B_mC12_12_2i_i:Bi-Pd,6.0,A2B_mC12_12_2i_i:Bi-Pd +mp-570197,Bi2Pd,-4.5340345333,-0.2470811767,0.025633105,-0.016678395,GGA,I4/mmm,A2B_tI6_139_e_a:Bi-Pd,3.0,A2B_tI6_139_e_a:Bi-Pd +mp-1979,HoPd3,-5.9361966625,-0.9056830875,0.0,-0.3486329233,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Pd,4.0,AB3_cP4_221_a_c:Ho-Pd +mp-1212221,Ho5BiPd2,-5.3445929444,-0.7055558069,0.0,-0.0054718666,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Ho-Pd,16.0,AB5C2_tI32_140_a_cl_h:Bi-Ho-Pd +mp-569727,BiPd,-4.8450903494,-0.3349048794,0.0106992931,-0.0551049266,GGA,Cmc2_1,AB_oC32_36_2ab_2ab:Bi-Pd,16.0,"Invalid WP multiplicities - AB_oC32_36_3a3b_4a2b:Bi-Pd, expected Bi9Pd8 to be BiPd" +mp-1008488,BiPd,-4.8557896425,-0.3456041725,0.0,-0.0658042197,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Pd,4.0,AB_hP4_194_c_a:Bi-Pd +mp-1077796,LaInPt4,-6.1553925933,-0.8266885742000001,0.0,-0.0553346422,GGA,F-43m,ABC4_cF24_216_a_c_e:In-La-Pt,6.0,ABC4_cF24_216_a_c_e:In-La-Pt +mp-20451,LaInPt,-5.5688173678,-0.9825426494,0.0,-0.1316223051,GGA,P-62m,ABC_hP9_189_f_g_bc:In-La-Pt,9.0,ABC_hP9_189_f_g_bc:In-La-Pt +mp-1018159,ErSb2,-4.5953995,-0.32015907,0.4678729333,0.4678729333,GGA,C222,AB2_oC6_21_a_k:Er-Sb,3.0,AB2_oC6_21_a_k:Er-Sb +mp-1008931,ErSb,-5.18382134,-0.8354613150000001,0.34658669,0.0736593903,GGA,Pm-3m,AB_cP2_221_a_b:Er-Sb,2.0,AB_cP2_221_a_b:Er-Sb +mp-2191,ErSb,-5.53040803,-1.182048005,0.0,-0.2729272997,GGA,Fm-3m,AB_cF8_225_a_b:Er-Sb,2.0,AB_cF8_225_a_b:Er-Sb +mp-21272,ErNiSb,-5.79309428,-0.96747537,0.0,-0.1578884222,GGA,F-43m,ABC_cF12_216_a_c_b:Er-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Er-Ni-Sb +mp-1213207,Er5Ni2Sb,-5.3877547106,-0.5717711294,0.0,-0.0037058167,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Er-Ni-Sb,16.0,A5B2C_tI32_140_cl_h_a:Er-Ni-Sb +mp-1184274,ErSb3,-4.7433052663,-0.5046246338,0.0863993688,0.0863993688,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Sb,8.0,AB3_hP8_194_c_h:Er-Sb +mp-2409,Ni5Sb2,-5.5334183657,-0.2250346686,0.0,-0.0045288625,GGA,C2/m,A5B2_mC28_12_g2ij_2i:Ni-Sb,14.0,A5B2_mC28_12_g2ij_2i:Ni-Sb +mp-1225477,Er10NiSb5,-5.3656464738,-0.8592507875000001,0.0,-0.0007637223,GGA,Pmc2_1,A10BC5_oP32_26_3a3b2c_a_b2c:Er-Ni-Sb,32.0,"Invalid WP multiplicities - A10BC5_oP32_26_3a3b3c_a_b3c:Er-Ni-Sb, expected Er12NiSb7 to be Er10NiSb5" +mp-1079414,Er(NiSb)2,-5.479950589,-0.602751659,0.124412437,0.124412437,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Er-Ni-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Er-Ni-Sb +mp-12052,Er4Sb3,-5.4043880057,-1.0246910114,0.0270775871,0.0270775871,GGA,I-43d,A4B3_cI28_220_c_a:Er-Sb,14.0,A4B3_cI28_220_c_a:Er-Sb +mp-19895,NiSb2,-5.0046930767,-0.3253133567,0.0,-0.0130431571,GGA,Pnnm,AB2_oP6_58_a_g:Ni-Sb,6.0,AB2_oP6_58_a_g:Ni-Sb +mp-1106023,NiSb3,-4.8268418069,-0.2850567069,0.0,-0.0410716894,GGA,Im-3,AB3_cI32_204_c_g:Ni-Sb,16.0,AB3_cI32_204_c_g:Ni-Sb +mp-672371,Ni3Sb,-5.5634933963,-0.1961405762,0.0007647587,0.0007647587,GGA,Pmmn,A3B_oP8_59_ae_b:Ni-Sb,8.0,A3B_oP8_59_ae_b:Ni-Sb +mp-976893,Ni3Sb,-5.5495621525,-0.1822093325,0.0146960025,0.0146960025,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Sb,8.0,A3B_hP8_194_h_c:Ni-Sb +mp-976847,Ni3Sb,-5.5559636325,-0.1886108125,0.0082945225,0.0082945225,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Sb,4.0,A3B_cP4_221_c_a:Ni-Sb +mp-10260,Ni3Sb,-5.5203384,-0.15298558,0.043919755,0.043919755,GGA,Fm-3m,A3B_cF16_225_ac_b:Ni-Sb,4.0,A3B_cF16_225_ac_b:Ni-Sb +mp-641565,Er5Sb3,-5.3492915275,-0.9460918063,0.0079672375,-0.0494871713,GGA,Pnma,A5B3_oP32_62_3cd_cd:Er-Sb,32.0,"Invalid WP multiplicities - A5B3_oP32_62_12c4d_3c3d:Er-Sb, expected Er20Sb9 to be Er5Sb3" +mp-12960,Er5Sb3,-5.357258765,-0.9540590438,0.0,-0.0574544087,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Sb,16.0,A5B3_hP16_193_dg_g:Er-Sb +mp-810,NiSb,-5.321266145,-0.366697185,0.0,-0.0852557544,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-Sb,4.0,AB_hP4_194_a_c:Ni-Sb +mp-571400,Dy3Se4,-6.0099513343,-2.0379504156,0.0581388014,0.0581388014,GGA,I-43d,A3B4_cI28_220_a_c:Dy-Se,14.0,A3B4_cI28_220_a_c:Dy-Se +mp-696673,Cr7Se8,-7.024905006,-0.6556633986,0.0647171636,0.0647171636,GGA,C2/m,A7B8_mC30_12_afhi_2ij:Cr-Se,15.0,A7B8_mC30_12_aehi_2ij:Cr-Se +mp-7368,Dy2Se3,-6.083226364,-2.1429647414,0.0,-0.1297286278,GGA,Pnma,A2B3_oP20_62_2c_3c:Dy-Se,20.0,A2B3_oP20_62_2c_3c:Dy-Se +mp-1212890,DyCrSe3,-6.3886903305,-1.4391765819,0.037519855,0.037519855,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Dy-Se,20.0,ABC3_oP20_62_c_c_3c:Cr-Dy-Se +mp-1018683,DySe2,-5.735094315,-1.8688910499,0.0,-0.0059458568,GGA,P4/nmm,AB2_tP6_129_c_ac:Dy-Se,6.0,AB2_tP6_129_c_ac:Dy-Se +mp-1226358,Cr7Se10,-6.0379515265,-0.0067487578,0.7877886269000001,0.7877886269000001,GGA,C2/m,A7B10_mC68_12_7i_10i:Cr-Se,34.0,"Invalid WP multiplicities - A7B10_mC68_12_12i_18i:Cr-Se, expected Cr2Se3 to be Cr7Se10" +mp-1104327,Cr5Se8,-6.6763339608,-0.8122932553000001,0.0,-0.0115276369,GGA,C2/m,A5B8_mC26_12_ahi_2ij:Cr-Se,13.0,A5B8_mC26_12_ahi_2ij:Cr-Se +mp-32633,Dy6Se11,-5.8605153394,-1.9725302045,0.0,-0.0230292453,GGA,P1,A6B11_aP68_1_24a_44a:Dy-Se,68.0,A6B11_aP68_1_24a_44a:Dy-Se +mp-1226371,Cr2Se3,-6.764431963,-0.8056660884,0.004762044,-0.009321693,GGA,P-1,A2B3_aP20_2_4i_6i:Cr-Se,20.0,"Invalid WP multiplicities - A2B3_aP20_2_7i_12i:Cr-Se, expected Cr7Se12 to be Cr2Se3" +mp-1226456,Cr2Se3,-6.7621486705,-0.8033827959000001,0.0070453365,-0.0070384005,GGA,P-1,A2B3_aP20_2_4i_6i:Cr-Se,20.0,"Invalid WP multiplicities - A2B3_aP20_2_7i_12i:Cr-Se, expected Cr7Se12 to be Cr2Se3" +mp-2832,Cr2Se3,-6.769194007,-0.8104281324,0.0,-0.014083737,GGA,R-3,A2B3_hR30_148_abc_f:Cr-Se,10.0,A2B3_hR30_148_abc_f:Cr-Se +mp-1189023,Cr2Se3,-6.7674621795,-0.8086963049,0.0017318275,-0.0123519095,GGA,P-31c,A2B3_hP20_163_bcf_i:Cr-Se,20.0,A2B3_hP20_163_bcf_i:Cr-Se +mp-1061769,CrSe2,-6.3014636033,-0.7531734616,0.0153837767,-0.0491859736,GGA,C2/m,AB2_mC6_12_a_i:Cr-Se,3.0,AB2_mC6_12_a_i:Cr-Se +mp-1009581,CrSe2,-6.3168473800000005,-0.7685572382,0.0,-0.0645697503,GGA,P-3m1,AB2_hP3_164_a_d:Cr-Se,3.0,AB2_hP3_164_a_d:Cr-Se +mp-1407787,CrSe2,-6.2922367558,-0.7439466141000001,0.0246106242,-0.0399591261,GGA,F-43m,AB2_cF48_216_e_2e:Cr-Se,12.0,AB2_cF48_227_c_e:Cr-Se +mp-1399418,CrSe2,-6.2901776992,-0.7418875574,0.0266696808,-0.0379000695,GGA,Fd-3m,AB2_cF48_227_c_e:Cr-Se,12.0,AB2_cF48_227_c_e:Cr-Se +mp-7132,DySe,-5.5580348325,-1.5066856737,0.4722147325,0.2791182775,GGA,P6_3mc,AB_hP4_186_b_b:Dy-Se,4.0,AB_hP4_186_b_b:Dy-Se +mp-814,DySe,-6.030249565,-1.9789004062,0.0,-0.193096455,GGA,Fm-3m,AB_cF8_225_a_b:Dy-Se,2.0,AB_cF8_225_a_b:Dy-Se +mp-984712,Cr3Se,-7.87168473,0.2420787419,0.5797571304,0.5797571304,GGA,I4/mmm,A3B_tI8_139_ad_b:Cr-Se,4.0,A3B_tI8_139_ad_b:Cr-Se +mp-604915,CrSe,-7.1110154575,-0.5365359837,0.1388207933,0.1388207933,GGA,P4/nmm,AB_tP4_129_a_c:Cr-Se,4.0,AB_tP4_129_a_c:Cr-Se +mp-2189,CrSe,-7.112991575,-0.5385121012,0.1368446758,0.1368446758,GGA,P6_3/mmc,AB_hP4_194_a_c:Cr-Se,4.0,AB_hP4_194_a_c:Cr-Se +mp-27840,Cr3Se4,-6.90140913,-0.7667250842000001,0.0051112324,0.0051112324,GGA,C2/m,A3B4_mC14_12_ai_2i:Cr-Se,7.0,A3B4_mC14_12_ai_2i:Cr-Se +mp-1225384,Dy4CrSe7,-6.2311686325,-1.8518707014,0.0464927126,0.0464927126,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Dy-Se,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Dy-Se +mp-16842,Nb5Ge3,-8.5236158188,-0.4766647231,0.0033134656,-0.0516173044,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-Nb,16.0,A3B5_tI32_140_ah_bk:Ge-Nb +mp-569891,Nb5Ge3,-8.2459552019,-0.1990041063,0.2809740825,0.2260433125,GGA,I4/mcm,A3B5_tI32_140_ah_dk:Ge-Nb,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_2d2k:Ge-Nb, expected Nb10Ge3 to be Nb5Ge3" +mp-1188215,Nb5Ge3,-8.5269292844,-0.4799781888,0.0,-0.05493077,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ge-Nb,16.0,A3B5_tI32_140_ah_cl:Ge-Nb +mp-17910,Nb5Ge3,-8.4645815619,-0.4176304663,0.0623477225,0.0074169525,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Nb,16.0,A3B5_hP16_193_g_dg:Ge-Nb +mp-1220831,Nb10Ge7,-8.3001213071,-0.4545774609,0.0081798514,0.0081798514,GGA,P-31m,A7B10_hP17_162_ak_cdk:Ge-Nb,17.0,A7B10_hP17_162_ak_cdk:Ge-Nb +mp-29735,Nb10Ge7,-7.6972827692,0.148261077,0.6110183893000001,0.6110183893000001,GGA,P-3m1,A7B10_hP51_164_ad3i_gh3i:Ge-Nb,51.0,A7B10_hP51_164_ad3i_gh3i:Ge-Nb +mp-1204207,Nb10Ge7,-8.3020580882,-0.4565142421,0.0062430702,0.0062430702,GGA,P-3m1,A7B10_hP51_164_ad3i_gh3i:Ge-Nb,51.0,A7B10_hP51_164_ad3i_gh3i:Ge-Nb +mp-363,NbGe2,-6.7924794856,-0.3433592356,0.0,-0.0846678317,GGA,P6_222,A2B_hP9_180_i_c:Ge-Nb,9.0,A2B_hP9_180_i_c:Ge-Nb +mp-1220710,Nb3Ge,-8.831089875,-0.0993541312,0.2206313279,0.2206313279,GGA,Amm2,AB3_oC32_38_abd_abd2ef:Ge-Nb,16.0,AB3_oC32_38_abd_abd2ef:Ge-Nb +mp-1198302,Nb3Ge,-9.0497959631,-0.3180602194,0.0019252398,0.0019252398,GGA,P4_2/n,AB3_tP32_86_g_3g:Ge-Nb,32.0,AB3_tP32_86_g_3g:Ge-Nb +mp-1189187,Nb3Ge,-8.8881517556,-0.1564160119,0.1635694473,0.1635694473,GGA,I4/mcm,AB3_tI32_140_h_abk:Ge-Nb,16.0,AB3_tI32_140_h_abk:Ge-Nb +mp-571322,Nb3Ge,-8.91717354,-0.1854377962,0.1345476629,0.1345476629,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Nb,4.0,AB3_cP4_221_a_c:Ge-Nb +mp-1373,Nb3Ge,-8.9980545712,-0.2663188275,0.0536666317,0.0536666317,GGA,Pm-3n,AB3_cP8_223_a_c:Ge-Nb,8.0,AB3_cP8_223_a_c:Ge-Nb +mp-21681,Nb5Ge4,-8.0647420614,-0.3982268814,0.0492229852,0.0492229852,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Nb,36.0,A4B5_oP36_62_2cd_c2d:Ge-Nb +mp-22287,NbGeIr,-8.3836314117,-0.52937572,0.0,-0.0492277545,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Nb,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Nb +mp-1186610,PmNdMg2,-3.280632585,-0.1008201212,0.006205555,0.006205555,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Pm,4.0,A2BC_cF16_225_c_a_b:Mg-Nd-Pm +mp-1186614,PmNd,-4.73201974,0.0273251375,0.0273251375,0.0273251375,GGA,P-6m2,AB_hP2_187_a_d:Nd-Pm,2.0,AB_hP2_187_a_d:Nd-Pm +mp-1186599,NdMg149,-1.6456493343,-0.0242501684,0.0,-0.0207925546,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Nd,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Nd, expected NdMg315 to be NdMg149" +mp-1327,NdMg,-3.2930951950000003,-0.1088814537,0.0,-0.023724281,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Nd,2.0,AB_cP2_221_a_b:Mg-Nd +mp-2389,NdMg2,-2.756923,-0.1006871558,0.01889529,0.01889529,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Nd,6.0,A2B_cF24_227_c_b:Mg-Nd +mp-1787,NdMg3,-2.5171798375,-0.1249329419,0.0,-0.0406844861,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Nd,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Nd, expected NdMg5 to be NdMg3" +mp-976421,Nd3Mg,-3.9769961625,-0.0008155756,0.0536251513,0.0536251513,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Nd,4.0,AB3_tI8_139_a_bd:Mg-Nd +mp-1186274,Nd3Mg,-3.9744771975,0.0017033894,0.0561441163,0.0561441163,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Nd,4.0,AB3_cP4_221_a_c:Mg-Nd +mp-1186244,PmNd3,-4.75067382,0.013072335,0.013072335,0.013072335,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Pm,4.0,A3B_tI8_139_ad_b:Nd-Pm +mp-1186246,PmNd3,-4.7318808425,0.0318653125,0.0318653125,0.0318653125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Pm,8.0,A3B_hP8_194_h_c:Nd-Pm +mp-1186243,PmNd3,-4.753231025,0.01051513,0.01051513,0.01051513,GGA,Pm-3m,A3B_cP4_221_c_a:Nd-Pm,4.0,A3B_cP4_221_c_a:Nd-Pm +mp-1186252,Nd2Mg,-3.7540529617,-0.0418613233,0.0307263125,0.0307263125,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Nd,6.0,AB2_mC12_12_i_2i:Mg-Nd +mp-976425,Nd2Mg,-3.7708316317,-0.0586399933,0.0139476425,0.0139476425,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Nd,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Nd, expected Nd4Mg to be Nd2Mg" +mp-1186250,Nd2Mg,-3.7594429167,-0.0472512783,0.0253363575,0.0253363575,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Nd,3.0,AB2_tI6_139_a_e:Mg-Nd +mp-1186288,Nd5Mg,-4.2026020533,0.0375674821,0.0738612999999999,0.0738612999999999,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Nd,6.0,AB5_oC12_38_a_2a3b:Mg-Nd +mp-1186293,Nd5Mg,-4.2323259117,0.0078436237,0.0441374417,0.0441374417,GGA,R32,AB5_hR18_155_a_ce:Mg-Nd,6.0,AB5_hR18_155_a_ce:Mg-Nd +mp-1199923,Nd5Mg41,-2.0009875993,-0.0563741382,0.0100920353,0.0100920353,GGA,I4/m,A41B5_tI92_87_af3h3i_bh:Mg-Nd,46.0,A41B5_tI92_87_af3h3i_bh:Mg-Nd +mp-1186523,Pm3Nd,-4.7416878525,0.0132557475,0.0132557475,0.0132557475,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Pm,4.0,AB3_tI8_139_a_bd:Nd-Pm +mp-1186527,Pm3Nd,-4.7247331788,0.0302104213,0.0302104213,0.0302104213,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Pm,8.0,AB3_hP8_194_c_h:Nd-Pm +mp-30772,NdMg12,-1.8782671085,-0.0343049521,0.0190148474,0.0190148474,GGA,I4/mmm,A12B_tI26_139_fij_a:Mg-Nd,13.0,"Invalid WP multiplicities - A12B_tI26_139_3f2i4j_a:Mg-Nd, expected NdMg36 to be NdMg12" +mp-1210095,Nd4Mg,-3.5517333,0.582840656,0.6263932375,0.6263932375,GGA,Fd-3m,AB4_cF40_227_a_e:Mg-Nd,10.0,AB4_cF40_227_a_e:Mg-Nd +mp-573,Ni3Se4,-5.02252444,-0.5476593042,0.0293382043,-0.0108277279,GGA,C2/m,A3B4_mC14_12_ai_2i:Ni-Se,7.0,A3B4_mC14_12_ai_2i:Ni-Se +mp-1206903,Nd3(AgGe)4,-4.5649481609,-0.5534229127,0.0,-0.0520034342,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Nd,,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Nd +mp-1009080,HoCd2,-2.0166812733,0.12604819,0.42835152,0.4098822867,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Ho,3.0,A2B_hP3_164_d_a:Cd-Ho +mp-11301,HoCd2,-2.4450327933,-0.30230333,0.0,-0.0184692333,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Ho,3.0,A2B_hP3_191_c_b:Cd-Ho +mp-1225485,HoCd6,-1.6087723524,-0.1630941481,0.0,-0.003272911,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Ho,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Ho, expected HoCd8 to be HoCd6" +mp-11302,HoCd3,-2.1044124675,-0.26664293,0.0,-0.0145868959,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Ho,8.0,A3B_oC16_63_cg_c:Cd-Ho +mp-1212306,Ho4CdPt,-4.8321346383,-0.6115248783,0.0,-0.0268507283,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ho-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Ho-Pt +mp-170,HoCd,-3.070865745,-0.31821643,0.0,-0.0914889325,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Ho,2.0,AB_cP2_221_a_b:Cd-Ho +mp-864673,HoCdPt2,-5.24689676,-0.8350054425000001,0.01093972,0.01093972,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ho-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Ho-Pt +mp-1197508,Ho11Cd45,-1.8614780719,-0.219754201,0.0,-0.0048856619,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Ho,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Ho +mp-480,ErPt2,-6.6744639517,-1.1044688017,0.0370297373,0.0370297373,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Pt,6.0,AB2_cF24_227_a_d:Er-Pt +mp-1104136,Er3Pt4,-6.6815249507,-1.254712135,0.0,-0.0218323041,GGA,R-3,A3B4_hR42_148_f_abf:Er-Pt,14.0,A3B4_hR42_148_f_abf:Er-Pt +mp-1189835,Er3Pt,-5.6732312187,-0.7296587812,0.0013375731,0.0013375731,GGA,Pnma,A3B_oP16_62_cd_c:Er-Pt,16.0,A3B_oP16_62_cd_c:Er-Pt +mp-31466,Er5Bi3,-4.9574591084,-0.6624514284,0.0,-0.0413609372,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Er,32.0,A3B5_oP32_62_cd_3cd:Bi-Er +mp-1201625,Er5Bi3,-4.946594375,-0.651586695,0.0108647334,-0.0304962038,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Er,32.0,A3B5_oP32_62_cd_3cd:Bi-Er +mp-1183477,BiPt3,-5.5135454075,-7.313500000000001e-05,0.1487113288,0.1487113288,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Pt,4.0,AB3_tI8_139_a_bd:Bi-Pt +mp-1183439,BiPt3,-5.5062783075,0.007193965,0.1559784288,0.1559784288,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Pt,4.0,AB3_cP4_221_a_c:Bi-Pt +mp-1195885,Er5Pt4,-6.4361210281,-1.2002179914,0.0,-0.0026259853,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Er-Pt,36.0,A5B4_oP36_62_c2d_2cd:Er-Pt +mp-1190067,Er5Pt3,-6.1634820325,-1.0319827812,0.0272625942,0.0272625942,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Pt,16.0,A5B3_hP16_193_dg_g:Er-Pt +mp-22923,BiPt,-5.0092185,-0.053407275,0.2441616525,0.1568059375,GGA,P6_3/mmc,AB_hP4_194_a_c:Bi-Pt,4.0,AB_hP4_194_a_c:Bi-Pt +mp-1066078,BiPt,-5.2533801525,-0.2975689275,0.0,-0.087355715,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Pt,4.0,AB_hP4_194_c_a:Bi-Pt +mp-30610,Er2Pt,-6.0435187858,-0.9746618058,0.0,-0.0433347917,GGA,Pnma,A2B_oP12_62_2c_c:Er-Pt,12.0,A2B_oP12_62_2c_c:Er-Pt +mp-1092293,Bi2Pt,-4.8146722967,-0.2306351033,0.04964918,-0.0322558183,GGA,C2/m,A2B_mC6_12_i_a:Bi-Pt,3.0,A2B_mC6_12_i_a:Bi-Pt +mp-568531,Bi2Pt,-4.8643214767,-0.2802842833,0.0,-0.0819049983,GGA,Pbca,A2B_oP24_61_2c_c:Bi-Pt,24.0,"Invalid WP multiplicities - A2B_oP24_61_8c_c:Bi-Pt, expected Bi8Pt to be Bi2Pt" +mp-1078313,Bi2Pt,-4.8379405911,-0.2539033978,0.0263808856,-0.0555241128,GGA,P31m,A2B_hP9_157_abc_c:Bi-Pt,9.0,A2B_hP9_157_abc_c:Bi-Pt +mp-569581,Bi2Pt,-4.8274906967,-0.2434535033,0.03683078,-0.0450742183,GGA,P-3m1,A2B_hP3_164_d_a:Bi-Pt,3.0,A2B_hP3_164_d_a:Bi-Pt +mp-22864,Bi2Pt,-4.8550322050000005,-0.2709950117,0.0092892717,-0.0726157267,GGA,Pa-3,A2B_cP12_205_c_a:Bi-Pt,12.0,A2B_cP12_205_c_a:Bi-Pt +mp-1025030,ErPt5,-6.4629986783,-0.6424344433,0.0525233183,0.0525233183,GGA,P6/mmm,AB5_hP6_191_a_cg:Er-Pt,6.0,AB5_hP6_191_a_cg:Er-Pt +mp-31462,Er5BiPt2,-5.7907365113,-0.9380677838,0.0,-4.12656e-05,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Er-Pt,16.0,AB5C2_tI32_140_a_cl_h:Bi-Er-Pt +mp-1184182,ErBi3,-4.3512355475,-0.3289389975,0.08512133,0.08512133,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Er,8.0,A3B_hP8_194_h_c:Bi-Er +mp-1184168,ErBi3,-4.337774625,-0.315478075,0.0985822525,0.0985822525,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Er,4.0,A3B_cP4_221_c_a:Bi-Er +mp-1025444,ErPt,-6.6284831713,-1.3090571063,0.0,-0.084997927,GGA,Pnma,AB_oP8_62_c_c:Er-Pt,8.0,AB_oP8_62_c_c:Er-Pt +mp-1212906,Er4Pt,-4.903509773,-0.035108061,0.5496890225000001,0.5496890225000001,GGA,Fd-3m,A4B_cF40_227_e_a:Er-Pt,10.0,A4B_cF40_227_e_a:Er-Pt +mp-30454,ErBiPt,-5.86779518,-1.0413480933,0.0,-0.1686433558,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Er-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Er-Pt +mp-1913,ErPt3,-6.737716335,-1.0424366425,0.0,-0.16898502,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pt,4.0,AB3_cP4_221_a_c:Er-Pt +mp-23245,ErBi,-5.032224625,-0.8281206550000001,0.0,-0.2768400369,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Er,2.0,AB_cF8_225_a_b:Bi-Er +mp-22921,TbBi,-5.1329465,-0.8955188850000001,0.0,-0.21333523,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Tb,2.0,AB_cF8_225_a_b:Bi-Tb +mp-1208420,Tb5BiPd2,-5.3664309331,-0.6949205269000001,0.0046510254,0.0046510254,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pd-Tb,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pd-Tb +mp-1187275,Tb3Bi,-4.79186442,-0.3559675625,0.1269245971,0.1269245971,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Tb,4.0,AB3_tI8_139_a_bd:Bi-Tb +mp-1208315,TbBi3,-3.124421275,0.9145370975,1.36229654,1.36229654,GGA,Cmmm,A3B_oC8_65_ce_b:Bi-Tb,4.0,A3B_oC8_65_ce_b:Bi-Tb +mp-1187331,TbBi3,-4.4268782075,-0.387919835,0.0598396075,0.0598396075,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Tb,4.0,A3B_tI8_139_ad_b:Bi-Tb +mp-1187332,TbBi3,-4.4251208475,-0.386162475,0.0615969675,0.0615969675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Tb,8.0,A3B_hP8_194_h_c:Bi-Tb +mp-570759,Tb4Bi3,-5.060392145,-0.7662590321,0.0314423411,0.0314423411,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Tb,14.0,A3B4_cI28_220_a_c:Bi-Tb +mp-1207177,TbBiPd,-5.5145721967,-0.9629931833,0.0,-0.1604656617,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Tb,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Tb +mp-1100767,TbBiPd2,-5.4646865525,-0.75603184,0.0777164079,0.0777164079,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Tb,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Tb +mp-31463,Tb5Bi3,-5.0540695706,-0.7174073344,0.006930905,-0.0457681706,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Tb,32.0,A3B5_oP32_62_cd_3cd:Bi-Tb +mp-1198601,Tb5Bi3,-5.0463620778,-0.7096998416,0.0146383978,-0.0380606778,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Tb,32.0,A3B5_oP32_62_cd_3cd:Bi-Tb +mp-1189848,Tb5Bi3,-5.0610004756,-0.7243382394,0.0,-0.0526990756,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Tb,16.0,A3B5_hP16_193_g_dg:Bi-Tb +mp-1194443,LaCu13,-4.2280591446,-0.069081015,0.0,-0.0045467311,GGA,Fm-3c,A13B_cF112_226_bi_a:Cu-La,28.0,A13B_cF112_226_bi_a:Cu-La +mp-1078920,LaCu,-4.6860270150000005,-0.1684201275,0.0,-0.0066286237,GGA,Pnma,AB_oP8_62_c_c:Cu-La,8.0,AB_oP8_62_c_c:Cu-La +mp-30590,LaCu6,-4.3478181571,-0.1290685679,4.04715e-05,4.04715e-05,GGA,P2_1/c,A6B_mP28_14_6e_e:Cu-La,28.0,A6B_mP28_14_6e_e:Cu-La +mp-636256,LaCu6,-4.3474229561,-0.1286733668,0.0004356726,0.0004356726,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-La,28.0,"Invalid WP multiplicities - A6B_oP28_62_14c6d_c:Cu-La, expected LaCu26 to be LaCu6" +mp-2613,LaCu5,-4.38779179,-0.1491183808,0.0,-0.0075555231,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-La,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c2g_a:Cu-La, expected LaCu10 to be LaCu5" +mp-1207143,LaCd2Cu,-2.928408255,-0.2081599312,0.07696694,0.07696694,GGA,F-43m,A2BC_cF16_216_ac_b_d:Cd-Cu-La,4.0,A2BC_cF16_216_ac_b_d:Cd-Cu-La +mp-30589,LaCu4,-4.4256216207,-0.1590548637,0.003384242,0.003384242,GGA,I-4m2,A4B_tI90_119_gh5ij_aefi:Cu-La,45.0,A4B_tI90_119_gh5ij_aefi:Cu-La +mp-2051,LaCu2,-4.5938621533,-0.215722005,0.0,-0.0525048019,GGA,P6/mmm,A2B_hP3_191_c_b:Cu-La,3.0,A2B_hP3_191_c_b:Cu-La +mp-1212681,EuGa4Au3,-4.4935189775,-0.4696399913,0.0,-0.0540914802,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:Au-Eu-Ga,8.0,A3BC4_tP8_123_ah_b_i:Au-Eu-Ga +mp-1225205,EuGaAu,-6.2095195017,-0.6898595608,0.0,-0.0321148417,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Eu-Ga,6.0,ABC_mC12_12_i_i_i:Au-Eu-Ga +mp-1184283,EuGaAu2,-5.484539085,-0.5263236294,0.104353575,0.104353575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Ga,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Ga +mp-1079945,SrAs3,-4.5136963262,-0.5969841592,0.0048245825,-0.0380141767,GGA,P-1,A3B_aP8_2_3i_i:As-Sr,8.0,A3B_aP8_2_3i_i:As-Sr +mp-9907,SrAs3,-4.5185209088,-0.6018087417,0.0,-0.0428387592,GGA,C2/m,A3B_mC16_12_ij_i:As-Sr,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_i:As-Sr, expected SrAs5 to be SrAs3" +mp-641533,InAs,-3.7355590492,-0.0301579817,0.1985045458,-0.0301579817,GGA,Cmcm,AB_oC24_63_cf_cf:As-In,12.0,AB_oC24_63_2c3f_2c3f:As-In +mp-1007652,InAs,-3.9277895375,-0.22238847,0.0062740575,-0.22238847,GGA,P6_3mc,AB_hP4_186_b_b:As-In,4.0,AB_hP4_186_b_b:As-In +mp-20412,InAs,-3.8214741594,-0.1160730919,0.1125894356,-0.1160730919,GGA,Pa-3,AB_cP16_205_c_c:As-In,16.0,AB_cP16_205_c_c:As-In +mp-20305,InAs,-3.934063595,-0.2286625275,0.0,-0.2286625275,GGA,F-43m,AB_cF8_216_a_c:As-In,2.0,AB_cF8_216_a_c:As-In +mp-21391,InAs,-3.74624664,-0.0408455725,0.187816955,-0.0408455725,GGA,Fm-3m,AB_cF8_225_a_b:As-In,2.0,AB_cF8_225_a_b:As-In +mp-15698,Sr5As3,-3.86075684,-1.0576540298,0.0,-0.0702077351,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Sr,16.0,A3B5_hP16_193_g_dg:As-Sr +mp-1013559,Sr3As2,-3.597434838,-0.720091404,0.3706287691,0.3706287691,GGA,Pm-3m,A2B3_cP5_221_ab_c:As-Sr,5.0,A2B3_cP5_221_ab_c:As-Sr +mp-678007,Sr3As4,-4.338408705,-0.9519867079,0.0062475479,-0.0116847846,GGA,P1,A4B3_aP14_1_8a_6a:As-Sr,14.0,A4B3_oF56_43_2b_ab:As-Sr +mp-15339,Sr3As4,-4.3446562529,-0.9582342557,0.0,-0.0179323325,GGA,Fdd2,A4B3_oF56_43_2b_ab:As-Sr,14.0,A4B3_oF56_43_2b_ab:As-Sr +mp-973466,In3As,-3.14217301,0.0863693888,0.2007006525,0.2007006525,GGA,Pm-3m,AB3_cP4_221_a_c:As-In,4.0,AB3_cP4_221_a_c:As-In +mp-1205860,Sr(InAs)2,-3.908601879,-0.6063823343,0.0,-0.084637645,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_a:As-In-Sr,10.0,A2B2C_hP10_194_f_f_a:As-In-Sr +mp-1049,SrAs,-4.250005125,-1.0756991958,0.0,-0.0323270424,GGA,P-62m,AB_hP12_189_eh_fg:As-Sr,12.0,AB_hP12_189_eh_fg:As-Sr +mp-971740,Sr3As,-2.7581128438,-0.3262131525,0.378889534,0.378889534,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Sr,8.0,AB3_hP8_194_c_h:As-Sr +mp-15697,Sr2As,-3.5394999083,-0.8601314711,0.0800054443,0.0800054443,GGA,I4/mmm,AB2_tI12_139_e_ce:As-Sr,6.0,AB2_tI12_139_e_ce:As-Sr +mp-29424,Sr4As3,-4.0906999123,-1.1285100511,0.0,-0.0631223788,GGA,Pbam,A3B4_oP56_55_e2ghi_fg2h2i:As-Sr,56.0,A3B4_oP56_55_e2ghi_fg2h2i:As-Sr +mp-1184140,GaGe3,-3.9696834325,0.2546114644,0.2546114644,0.2546114644,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Ge,8.0,AB3_hP8_194_c_h:Ga-Ge +mp-1183975,GaGe3,-3.9844611525,0.2398337444,0.2398337444,0.2398337444,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Ge,4.0,AB3_cP4_221_a_c:Ga-Ge +mp-1183985,GaGe3,-3.9648558025,0.2594390944,0.2594390944,0.2594390944,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Ge,4.0,AB3_cF16_225_a_bc:Ga-Ge +mp-542812,GaTe,-3.6573686517,-0.5716676937,0.0034221783,-0.0809769673,GGA,C2/m,AB_mC24_12_3i_3i:Ga-Te,12.0,AB_mC24_12_3i_3i:Ga-Te +mp-10009,GaTe,-3.66079083,-0.5750898721000001,0.0,-0.0843991456,GGA,P6_3/mmc,AB_hP8_194_f_f:Ga-Te,8.0,AB_hP8_194_f_f:Ga-Te +mp-1224769,GaGe,-3.6629071,0.1626548387,0.1626548387,0.1626548387,GGA,F-43m,AB_cF8_216_a_c:Ga-Ge,2.0,AB_cF8_216_a_c:Ga-Ge +mp-1184010,Ga3Te,-3.152999515,-0.0961010248,0.1914439112,0.1914439112,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Te,4.0,A3B_tI8_139_ad_b:Ga-Te +mp-973545,Ga3Te,-3.1367409112,-0.079842421,0.207702515,0.207702515,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Te,8.0,A3B_hP8_194_h_c:Ga-Te +mp-976053,Ge3Te,-4.00085001,0.2522473546,0.4038570525,0.4038570525,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Te,4.0,A3B_tI8_139_ad_b:Ge-Te +mp-1224830,GaGeTe2,-3.7826764262,-0.2982425102,0.1409121238,0.1409121238,GGA,P-3m1,ABC2_hP8_164_d_d_2d:Ga-Ge-Te,8.0,ABC2_hP8_164_d_d_2d:Ga-Ge-Te +mp-1181264,GeTe,-3.379869165,0.5032977092,0.8065171050000001,0.5032977092,GGA,Cm,AB_mC4_8_a_a:Ge-Te,2.0,AB_mC4_8_a_a:Ge-Te +mp-628781,GeTe,-4.0718967394,-0.1887298652,0.1144895306,-0.1887298652,GGA,Pbcn,AB_oP16_60_d_d:Ge-Te,16.0,AB_oP16_60_d_d:Ge-Te +mp-1080459,GeTe,-4.1381637775,-0.2549969033,0.0482224925,-0.2549969033,GGA,Pnma,AB_oP8_62_c_c:Ge-Te,8.0,AB_oP8_62_c_c:Ge-Te +mp-938,GeTe,-4.18638627,-0.3032193958,0.0,-0.3032193958,GGA,R3m,AB_hR6_160_a_a:Ge-Te,2.0,AB_hR6_160_a_a:Ge-Te +mp-1172873,GeTe,-4.0607273,-0.1775604258,0.12565897,-0.1775604258,GGA,R3m,AB_hR6_160_a_a:Ge-Te,2.0,AB_hR6_160_a_a:Ge-Te +mp-672698,GeTe,-3.860770575,0.0223962992,0.325615695,0.0223962992,GGA,Pm-3m,AB_cP2_221_a_b:Ge-Te,2.0,AB_cP2_221_a_b:Ge-Te +mp-2612,GeTe,-4.16607757,-0.2829106958,0.0203087,-0.2829106958,GGA,Fm-3m,AB_cF8_225_a_b:Ge-Te,2.0,AB_cF8_225_a_b:Ge-Te +mp-8211,GaGeTe,-3.971580845,-0.3734375881,0.00995566,0.00995566,GGA,R-3m,ABC_hR18_166_c_c_c:Ga-Ge-Te,6.0,ABC_hR18_166_c_c_c:Ga-Ge-Te +mp-2371,Ga2Te5,-3.6514560129,-0.5410672255,0.0,-0.1302041498,GGA,I4/m,A2B5_tI14_87_d_ah:Ga-Te,7.0,A2B5_tI14_87_d_ah:Ga-Te +mp-1184355,Ga3Ge,-3.3310375012,0.0957914794,0.0957914794,0.0957914794,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Ge,8.0,A3B_hP8_194_h_c:Ga-Ge +mp-973875,Ga3Ge,-3.3394077925,0.0874211881,0.0874211881,0.0874211881,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Ge,4.0,A3B_cP4_221_c_a:Ga-Ge +mp-18388,Ga7Te10,-3.6731497424,-0.5772832076000001,0.0,-0.002088835,GGA,R32,A7B10_hR102_155_c2f_cde2f:Ga-Te,34.0,A7B10_hR102_155_c2f_cde2f:Ga-Te +mp-32580,Ga2Te3,-3.533084723,-0.435862778,0.139345528,0.1380402713,GGA,Cm,A2B3_mC20_8_4a_6a:Ga-Te,10.0,A2B3_mC20_8_4a_6a:Ga-Te +mp-1224873,Ga2Te3,-3.486543832,-0.389321887,0.185886419,0.1845811623,GGA,Cm,A2B3_mC10_8_2a_3a:Ga-Te,5.0,A2B3_mC10_8_2a_3a:Ga-Te +mp-38970,Ga2Te3,-3.672430251,-0.5752083060000001,0.0,-0.0013052567,GGA,Cc,A2B3_mC20_9_2a_3a:Ga-Te,10.0,"Invalid WP multiplicities - A2B3_mC20_9_4a_5a:Ga-Te, expected Ga4Te5 to be Ga2Te3" +mp-1224840,Ga2Te3,-3.65788272,-0.560660775,0.014547531,0.0132422743,GGA,Imm2,A2B3_oI10_44_c_ac:Ga-Te,5.0,A2B3_oI10_44_c_ac:Ga-Te +mp-1070116,Ga2Te3,-3.337333892,-0.240111947,0.335096359,0.3337911023,GGA,R-3m,A2B3_hR15_166_c_ac:Ga-Te,5.0,A2B3_hR15_166_c_ac:Ga-Te +mp-1078628,Na2HgPb,-1.8412616925,-0.175917187,0.0361274873,0.0361274873,GGA,Cmcm,AB2C_oC16_63_a_g_c:Hg-Na-Pb,8.0,AB2C_oC16_63_a_g_c:Hg-Na-Pb +mp-21895,Na15Pb4,-1.9618909818,-0.1361821565,0.0,-0.0616733189,GGA,I-43d,A15B4_cI76_220_ae_c:Na-Pb,38.0,A15B4_cI76_220_ae_c:Na-Pb +mp-20555,NaPb3,-3.2434935825,-0.1283769566,0.0,-0.039897712,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Pb,4.0,AB3_cP4_221_a_c:Na-Pb +mp-30792,NaPb,-2.6945446709,-0.1769584892,0.0,-0.0449644887,GGA,I4_1/acd,AB_tI64_142_ef_g:Na-Pb,32.0,AB_tI64_142_ef_g:Na-Pb +mp-1093809,NaHg2Pb,-0.78667948,0.6239537934,0.80047583,0.80047583,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Na-Pb,4.0,A2BC_oI8_71_e_a_b:Hg-Na-Pb +mp-972185,Tl3Hg,-1.8399391225,0.0079633288,0.0201913453,0.0201913453,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Tl,4.0,AB3_cP4_221_a_c:Hg-Tl +mp-1062935,LaHg2,-2.3277921533,-0.480002875,0.0013776633,-0.0227776183,GGA,P-3m1,A2B_hP3_164_d_a:Hg-La,3.0,A2B_hP3_164_d_a:Hg-La +mp-1063280,LaHg2,-1.96118844,-0.1133991617,0.3679813767,0.343826095,GGA,P-3m1,A2B_hP3_164_d_a:Hg-La,3.0,A2B_hP3_164_d_a:Hg-La +mp-11463,LaHg2,-2.3291698167,-0.4813805383,0.0,-0.0241552817,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-La,3.0,A2B_hP3_191_c_b:Hg-La +mp-1185066,La3Hg,-3.9639452075,-0.1860197875,0.0638591425,0.0638591425,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-La,4.0,AB3_tI8_139_a_bd:Hg-La +mp-1185127,La3Hg,-3.9670357662,-0.1891103463,0.0607685838,0.0607685838,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-La,8.0,AB3_hP8_194_c_h:Hg-La +mp-972971,LaTlHg2,-2.38324504,-0.4067422946,0.005482015,0.005482015,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Tl,4.0,A2BC_cF16_225_c_a_b:Hg-La-Tl +mp-1216519,TlHg,-1.3202112,0.0129505558,0.0374065889,0.0374065889,GGA,R-3m,AB_hR6_166_a_b:Hg-Tl,2.0,AB_hR6_166_a_b:Hg-Tl +mp-11473,TlHg,-1.355689855,-0.0225280992,0.0019279339,0.0019279339,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Tl,2.0,AB_cP2_221_a_b:Hg-Tl +mp-734,LaHg,-3.119601595,-0.49975786,0.0,-0.1352853985,GGA,Pm-3m,AB_cP2_221_a_b:Hg-La,2.0,AB_cP2_221_a_b:Hg-La +mp-1222812,LaHg3,-1.64562849,-0.18386644,0.252092515,0.2114675766,GGA,P-6m2,A3B_hP4_187_ah_b:Hg-La,4.0,A3B_hP4_187_ah_b:Hg-La +mp-862332,LaHg3,-1.897721005,-0.435958955,0.0,-0.0406249384,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-La,8.0,A3B_hP8_194_h_c:Hg-La +mp-1204948,La11Hg45,-1.5536200845,-0.3400183955,0.0025207834,0.0025207834,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-La,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-La +mp-1205088,La13Hg58,-1.4367575904,-0.2849047237,0.0343891589,0.0343891589,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Hg-La,142.0,A58B13_hP142_194_bcfghij4kl_a2hk:Hg-La +mp-11474,TlHg3,-0.85510511,-0.0366840496,0.0,-0.02542,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Tl,4.0,A3B_cP4_221_c_a:Hg-Tl +mp-973572,La2TlHg,-3.5942477975,-0.4596633671,0.0013906025,0.0013906025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-La-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-La-Tl +mp-1093656,Ca2AgRh,-2.33822218,1.2137937283,1.557664813,1.557664813,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Rh,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Rh +mp-1183516,Ca2AgRh,-3.8774792325,-0.3254633242,0.0184077605,0.0184077605,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ca-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Ca-Rh +mp-1206433,CdCl6,-1.9178079557,-0.2015065671,0.4396502057,0.4396502057,GGA,Cmmm,AB6_oC14_65_a_kp:Cd-Cl,7.0,AB6_oC14_65_a_kp:Cd-Cl +mp-28361,Al2CdCl8,-3.9627991082,-1.8534959536,0.0,-0.0158048845,GGA,Pc,A2BC8_mP22_7_2a_a_8a:Al-Cd-Cl,22.0,"Invalid WP multiplicities - A2BC8_mP22_7_3a_a_8a:Al-Cd-Cl, expected Al3CdCl8 to be Al2CdCl8" +mp-1102961,AlCdCl4,-3.728368765,-1.7179333933,0.0,-0.0188954358,GGA,P-1,ABC4_aP12_2_i_i_4i:Al-Cd-Cl,12.0,ABC4_aP12_2_i_i_4i:Al-Cd-Cl +mp-25469,AlCl3,-4.2886094963,-1.9658130438,0.0,-1.9658130438,GGA,C2/m,AB3_mC16_12_g_ij:Al-Cl,8.0,AB3_mC16_12_g_ij:Al-Cl +mp-25470,AlCl3,-3.3793316825,-1.05653523,0.9092778138,-1.05653523,GGA,P-3m1,AB3_hP4_164_a_bd:Al-Cl,4.0,AB3_hP4_164_a_bd:Al-Cl +mp-632403,CdCl2,-2.9718250233,-1.43183733,0.06419514,-0.8969237442,GGA,C2,AB2_mC6_5_a_c:Cd-Cl,3.0,AB2_mC6_5_a_c:Cd-Cl +mp-695850,CdCl2,-3.0342799633,-1.49429227,0.0017402,-0.9593786842,GGA,C2/m,AB2_mC6_12_a_i:Cd-Cl,3.0,AB2_mC6_12_a_i:Cd-Cl +mp-1181940,CdCl2,-2.98881315,-1.4488254567,0.0472070133,-0.9139118708,GGA,P-4m2,AB2_tP3_115_a_g:Cd-Cl,3.0,AB2_tP3_115_a_g:Cd-Cl +mp-22881,CdCl2,-3.0360201633,-1.49603247,0.0,-0.9611188842,GGA,R-3m,AB2_hR9_166_a_c:Cd-Cl,3.0,AB2_hR9_166_a_c:Cd-Cl +mp-1183215,AlCd3,-1.513240005,0.1153212725,0.1153212725,0.1153212725,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Cd,4.0,AB3_tI8_139_a_bd:Al-Cd +mp-1080124,CdCl4,-2.305303583,-0.641896303,0.255723179,0.255723179,GGA,Cmce,AB4_oC20_64_a_ef:Cd-Cl,10.0,AB4_oC20_64_a_ef:Cd-Cl +mp-1183140,Al3Cd,-2.903079075,0.1368252375,0.1368252375,0.1368252375,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Cd,4.0,A3B_cP4_221_c_a:Al-Cd +mp-1228985,AlCrNi,-6.4237992,-0.0308792067,0.4083474567,0.4083474567,GGA,Imma,ABC_oI12_74_e_a_c:Al-Cr-Ni,6.0,ABC_oI12_74_e_a_c:Al-Cr-Ni +mp-1226243,Cr4Ni,-8.788022766000001,0.090442546,0.095978141,0.095978141,GGA,Fmmm,A4B_oF20_69_2g_a:Cr-Ni,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Cr-Ni, expected Cr6Ni to be Cr4Ni" +mp-1077252,Cr2Ni,-8.0925456933,0.2695315133,0.278757505,0.278757505,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Ni,6.0,A2B_cF24_227_c_b:Cr-Ni +mp-1229048,Al2Ni3,-5.508037524,-0.541725184,0.04275607,0.04275607,GGA,P4/mmm,A2B3_tP10_123_2g_ad2h:Al-Ni,10.0,"Invalid WP multiplicities - A2B3_tP10_123_3g_ad3h:Al-Ni, expected Al3Ni4 to be Al2Ni3" +mp-1008284,Cr3Ni,-8.501342665,0.1834771075,0.1903966013,0.1903966013,GGA,I4/mmm,A3B_tI8_139_ad_b:Cr-Ni,4.0,A3B_tI8_139_ad_b:Cr-Ni +mp-1008278,Cr3Ni,-8.534473975000001,0.1503457975,0.1572652913,0.1572652913,GGA,Pm-3m,A3B_cP4_221_c_a:Cr-Ni,4.0,A3B_cP4_221_c_a:Cr-Ni +mp-1008275,Cr3Ni,-8.5155723225,0.16924745,0.1761669437,0.1761669437,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-Ni,4.0,A3B_cF16_225_ac_b:Cr-Ni +mp-1228923,AlCr2,-7.66435735,0.0195329067,0.14230004,0.0819249433,GGA,Fmmm,AB2_oF12_69_a_g:Al-Cr,3.0,AB2_oF12_69_a_g:Al-Cr +mp-1699,AlCr2,-7.80665739,-0.1227671333,0.0,-0.0603750967,GGA,I4/mmm,AB2_tI6_139_a_e:Al-Cr,3.0,AB2_tI6_139_a_e:Al-Cr +mp-16514,Al3Ni5,-5.58306793,-0.5658915688,0.0,-0.0194238387,GGA,Cmmm,A3B5_oC16_65_ah_bej:Al-Ni,8.0,A3B5_oC16_65_ah_bej:Al-Ni +mp-1226232,CrNi,-7.564783715,0.15180836,0.1656473475,0.1656473475,GGA,R-3m,AB_hR6_166_a_b:Cr-Ni,2.0,AB_hR6_166_a_b:Cr-Ni +mp-1226196,CrNi,-7.459845425,0.25674665,0.2705856375,0.2705856375,GGA,Pm-3m,AB_cP2_221_a_b:Cr-Ni,2.0,AB_cP2_221_a_b:Cr-Ni +mp-10885,AlCrNi2,-6.501882575,-0.26215841,0.1293112406,0.1293112406,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cr-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Cr-Ni +mp-1025044,AlNi2,-5.6033257,-0.50137597,0.0205835642,0.0205835642,GGA,P-3m1,AB2_hP6_164_d_abd:Al-Ni,6.0,AB2_hP6_164_d_abd:Al-Ni +mp-784631,CrNi2,-7.0895589267,-0.0184519833,0.0,-0.0061825456,GGA,Immm,AB2_oI6_71_a_e:Cr-Ni,3.0,AB2_oI6_71_a_e:Cr-Ni +mp-1077077,CrNi2,-6.8808817333,0.19022521,0.2086771933,0.2024946478,GGA,Fd-3m,AB2_cF24_227_a_d:Cr-Ni,6.0,AB2_cF24_227_a_d:Cr-Ni +mp-867780,Al3Cr,-5.3628258225,-0.1403820825,0.0,-0.005875146,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Cr,4.0,A3B_tI8_139_ad_b:Al-Cr +mp-1228713,Al4Ni15,-5.6277567811,-0.2759487011,0.0896053747,0.0896053747,GGA,P4/mmm,A4B15_tP19_123_2h_ae2g2i:Al-Ni,19.0,"Invalid WP multiplicities - A4B15_tP19_123_3h_a2e3g7i:Al-Ni, expected Al2Ni13 to be Al4Ni15" +mp-622209,Al3Ni,-4.6591319512,-0.4049159088,0.0,-0.02165159,GGA,Pnma,A3B_oP16_62_cd_c:Al-Ni,16.0,"Invalid WP multiplicities - A3B_oP16_62_2cd_c:Al-Ni, expected Al4Ni to be Al3Ni" +mp-31019,Al45Cr7,-4.6574375185,-0.1166251215,0.0,-0.0410347694,GGA,C2/m,A45B7_mC104_12_a8i7j_dij:Al-Cr,52.0,A45B7_mC104_12_a8i7j_cij:Al-Cr +mp-1228914,Al4CrNi15,-5.9220457375,-0.355175688,0.0,-0.0051342666,GGA,P4/mmm,A4BC15_tP20_123_2g_a_ce2h2i:Al-Cr-Ni,20.0,"Invalid WP multiplicities - A4BC15_tP20_123_3g_a_c2e3h7i:Al-Cr-Ni, expected Al6CrNi39 to be Al4CrNi15" +mp-1214894,Al11Cr4,-5.457991466,-0.1370898653,0.0025876192,0.0025876192,GGA,P-1,A11B4_aP15_2_a5i_2i:Al-Cr,15.0,A11B4_aP15_2_a5i_2i:Al-Cr +mp-1228854,AlNi,-5.17503722,-0.412180965,0.24665903,0.1935084053,GGA,C2/m,AB_mC4_12_a_d:Al-Ni,2.0,AB_mC4_12_a_c:Al-Ni +mp-1228868,AlNi,-5.394916205,-0.63205995,0.026780045,-0.0263705797,GGA,P4/mmm,AB_tP2_123_a_d:Al-Ni,2.0,AB_tP2_123_a_d:Al-Ni +mp-1487,AlNi,-5.42169625,-0.658839995,0.0,-0.0531506247,GGA,Pm-3m,AB_cP2_221_a_b:Al-Ni,2.0,AB_cP2_221_a_b:Al-Ni +mp-1007923,CrNi3,-6.762167495,-0.0138031175,3.587e-05,3.587e-05,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Ni,4.0,AB3_tI8_139_a_bd:Cr-Ni +mp-1226338,CrNi3,-6.693569235,0.0547951425,0.06863413,0.06863413,GGA,R-3m,AB3_hR12_166_a_bc:Cr-Ni,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cr-Ni, expected CrNi5 to be CrNi3" +mp-1007974,CrNi3,-6.754253255,-0.0058888775,0.00795011,0.00795011,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Ni,4.0,AB3_cP4_221_a_c:Cr-Ni +mp-1007975,CrNi3,-6.6373992375,0.11096514,0.1248041275,0.1248041275,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Ni,4.0,AB3_cF16_225_a_bc:Cr-Ni +mp-1183232,AlNi3,-5.6929301675,-0.4214336999999999,0.012661765,-0.0441726542,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Ni,8.0,AB3_hP8_194_c_h:Al-Ni +mp-2593,AlNi3,-5.7055919325,-0.434095465,0.0,-0.0568344192,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Ni,4.0,AB3_cP4_221_a_c:Al-Ni +mp-672232,AlNi3,-5.658682765,-0.3871862975,0.0469091675,-0.0099252517,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Ni,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Al-Ni, expected AlNi5 to be AlNi3" +mp-1057,Al3Ni2,-5.17262308,-0.6132229100000001,0.0,-0.0205543488,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Ni,5.0,A3B2_hP5_164_ad_d:Al-Ni +mp-19954,Al8Cr5,-6.0717539527,-0.0540736458,0.0806174532,0.0806174532,GGA,R3m,A8B5_hR78_160_a3bc_a3b:Al-Cr,26.0,A8B5_hR78_160_a3bc_a3b:Al-Cr +mp-16515,Al4Ni3,-5.2459614512,-0.6284309712,0.0,-0.0021746084,GGA,Ia-3d,A4B3_cI112_230_af_g:Al-Ni,56.0,A4B3_cI112_230_af_g:Al-Ni +mp-1217804,Ta11Al4,-9.870542843,-0.1760190263,0.0221565939,0.0221565939,GGA,P2/m,A4B11_mP30_10_ce2mn_3m4n2o:Al-Ta,30.0,"Invalid WP multiplicities - A4B11_mP30_10_ae2mn_3m4n4o:Al-Ta, expected Ta15Al4 to be Ta11Al4" +mp-1178983,Ta5Al3,-8.9483172675,-0.1326153125,0.1222312788,0.1222312788,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Al-Ta,16.0,A3B5_hP16_193_g_dg:Al-Ta +mp-1096286,Ta2AlRe,-5.59774585,4.3786687188,4.6383472403,4.6383472403,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Al-Re-Ta +mp-1208546,Ta24Al19,-8.538763275800001,-0.2654469063,0.0008361397,0.0008361397,GGA,P2_1/c,A19B24_mP86_14_a9e_12e:Al-Ta,86.0,A19B24_mP86_14_a9e_12e:Al-Ta +mp-1217883,Ta13Al23,-6.9226815598,-0.2476995243,0.0522851515,0.0522851515,GGA,R3m,A23B13_hR324_160_3a14b4c_6a7b2c:Al-Ta,108.0,"Invalid WP multiplicities - A23B13_hR324_160_3a22b12c_6a11b6c:Al-Ta, expected Ta25Al47 to be Ta13Al23" +mp-1194073,Ta17Al12,-8.6432945493,-0.1422900779,0.1191920575,0.1191920575,GGA,I-43m,A12B17_cI58_217_g_acg:Al-Ta,29.0,A12B17_cI58_217_g_acg:Al-Ta +mp-639874,Ta2Al,-9.2296668163,-0.075956453,0.1717630723,0.1340926515,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Al-Ta,30.0,"Invalid WP multiplicities - AB2_tP30_136_ai_3f5i5j:Al-Ta, expected Ta46Al5 to be Ta2Al" +mp-1193531,Ta2Al,-9.4014298887,-0.2477195253,0.0,-0.0376704208,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Al-Ta,30.0,AB2_tP30_136_ai_fij:Al-Ta +mp-1095983,TaAlRe2,-5.8749989,4.2481030575,4.5059361638,4.5059361638,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Re-Ta,4.0,AB2C_oI8_71_a_e_b:Al-Re-Ta +mp-869,TaAl3,-6.092616465,-0.318990185,0.0,-0.147505899,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Ta,4.0,A3B_tI8_139_ad_b:Al-Ta +mp-1209585,Yb4Zn11,-1.3753012973,-0.0409271087,0.2930551331,0.2930551331,GGA,I4_1/amd,A4B11_tI60_141_h_aci:Yb-Zn,,A4B11_tI60_141_h_aci:Yb-Zn +mp-1660,ErZn,-3.267989905,-0.354258695,0.0,-0.06168605,GGA,Pm-3m,AB_cP2_221_a_b:Er-Zn,2.0,AB_cP2_221_a_b:Er-Zn +mp-1188367,ErZn3,-2.4479428425,-0.3612054325,0.0,-0.0120254812,GGA,Pnma,AB3_oP16_62_c_3c:Er-Zn,16.0,AB3_oP16_62_c_3c:Er-Zn +mp-1025096,ErZn2,-2.75249887,-0.39009686,0.0,-0.0312070067,GGA,Imma,AB2_oI12_74_e_h:Er-Zn,6.0,AB2_oI12_74_e_h:Er-Zn +mp-1703,YbZn,-1.72618271,-0.326506765,0.0,-0.055130135,GGA,Pm-3m,AB_cP2_221_a_b:Yb-Zn,,AB_cP2_221_a_b:Yb-Zn +mp-11577,YbZn,-1.5051116050000002,-0.10543566,0.221071105,0.16594097,GGA,Fm-3m,AB_cF8_225_a_b:Yb-Zn,,AB_cF8_225_a_b:Yb-Zn +mp-569927,ErZn5,-2.08181595,-0.27074314,0.0276197461,0.0276197461,GGA,P6/mmm,AB5_hP6_191_a_cg:Er-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_2c2g:Er-Zn, expected ErZn10 to be ErZn5" +mp-225,ErZn5,-2.0781369883,-0.2670641783,0.0312987077,0.0312987077,GGA,P6_3/mmc,AB5_hP36_194_h_afghk:Er-Zn,36.0,AB5_hP36_194_h_afghk:Er-Zn +mp-657,YbZn2,-1.71486734,-0.3618355067,0.0,-0.0437341267,GGA,Imma,AB2_oI12_74_e_h:Yb-Zn,,AB2_oI12_74_e_h:Yb-Zn +mp-1187815,YbZn3,-1.5767488412,-0.2470390637,0.0799798617,0.0799798617,GGA,P6_3/mmc,AB3_hP8_194_c_h:Yb-Zn,,AB3_hP8_194_c_h:Yb-Zn +mp-1104142,Yb3Zn11,-1.6318121443,-0.3120975336,0.0,-0.0102723431,GGA,Immm,A3B11_oI28_71_ag_bf2n:Yb-Zn,,A3B11_oI28_71_ag_bf2n:Yb-Zn +mp-1202230,Yb3Zn17,-1.5271935135,-0.225470203,0.0308261059,0.0308261059,GGA,Im-3,A3B17_cI160_204_g_def2gh:Yb-Zn,,A3B17_cI160_204_g_def2gh:Yb-Zn +mp-1204970,Yb13Zn58,-1.5970906149,-0.286104178,0.0,-0.0014943357,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Yb-Zn,,A13B58_hP142_194_a2hk_bcfghij4kl:Yb-Zn +mp-1194047,YbZn13,-1.4367185779,-0.1569846343,0.0024306132,0.0024306132,GGA,Fm-3c,AB13_cF112_226_a_bi:Yb-Zn,,AB13_cF112_226_a_bi:Yb-Zn +mp-30615,Er6Zn23,-2.2525834121,-0.30843114,0.0238625596,0.0238625596,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Er-Zn,29.0,"Invalid WP multiplicities - A6B23_cF116_225_e_ad3f:Er-Zn, expected Er6Zn31 to be Er6Zn23" +mp-980062,YbErZn2,-2.49289929,-0.3361957125,0.0041870175,0.0041870175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Yb-Zn,,ABC2_cF16_225_a_b_c:Er-Yb-Zn +mp-1187992,Yb3Er,-2.165276035,0.1313598775,0.1313598775,0.1313598775,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Yb,,AB3_hP8_194_c_h:Er-Yb +mp-30614,ErZn12,-1.6867960254,-0.1725927846,0.0,-0.0036255923,GGA,I4/mmm,AB12_tI26_139_a_fij:Er-Zn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Er-Zn, expected ErZn16 to be ErZn12" +mp-980070,YbEr3,-3.68820937,0.1224818075,0.1224818075,0.1224818075,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Yb,,A3B_tI8_139_ad_b:Er-Yb +mp-568437,Yb2Zn17,-1.5052103342,-0.2160072853,0.0,-0.008015089,GGA,R-3m,A2B17_hR57_166_c_cdfh:Yb-Zn,,A2B17_hR57_166_c_cdfh:Yb-Zn +mp-1204417,Yb2Zn17,-1.4956077311,-0.2064046821,0.0096026032,0.0015875142,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Yb-Zn,,A2B17_hP38_194_bc_fgjk:Yb-Zn +mp-1203997,Er13Zn58,-2.1817603754,-0.3163311654,0.0,-0.0152094309,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Er-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Er-Zn +mp-30963,Er2Zn17,-1.8391697889,-0.2312182632,0.0,-0.020259219,GGA,R-3m,A2B17_hR57_166_c_cdfh:Er-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Er-Zn, expected Er2Zn23 to be Er2Zn17" +mp-1200103,Er2Zn17,-1.8354120671,-0.2274605413,0.0037577218,-0.0165014972,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Er-Zn,38.0,A2B17_hP38_194_bc_fgjk:Er-Zn +mp-864767,YbZn11,-1.4690501212,-0.1859844554,0.0,-0.0082325921,GGA,I4_1/amd,AB11_tI48_141_b_aci:Yb-Zn,,AB11_tI48_141_b_aci:Yb-Zn +mp-1193848,Zr2Re,-9.9762214023,-0.1295785873,0.0844003301,0.0844003301,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Re-Zr,30.0,AB2_tP30_136_ai_fij:Re-Zr +mp-1096386,ZrNbRe2,-6.54355115,4.3409638600000005,4.6103426437,4.6103426437,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Re-Zr,4.0,AB2C_oI8_71_a_e_b:Nb-Re-Zr +mp-1220322,NbRe,-11.41300538,-0.1400892675,0.0,-0.1400892675,GGA,Cmmm,AB_oC4_65_a_c:Nb-Re,2.0,AB_oC4_65_a_c:Nb-Re +mp-1374,Zr5Re24,-11.9925594117,-0.2198988741,0.0,-0.0341204026,GGA,I-43m,A24B5_cI58_217_2g_ac:Re-Zr,29.0,A24B5_cI58_217_2g_ac:Re-Zr +mp-12109,ZrRe2,-11.5047567117,-0.3591717117,0.0,-0.0662183183,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Zr,12.0,A2B_hP12_194_ah_f:Re-Zr +mp-574458,Zr21Re25,-11.0144198188,-0.3488786698,0.0,-0.056075644,GGA,R-3c,A25B21_hR276_167_b2e3f_e3f:Re-Zr,92.0,"Invalid WP multiplicities - A25B21_hR276_167_b10e29f_5e28f:Re-Zr, expected Zr183Re205 to be Zr21Re25" +mp-864640,Ta2NbIr,-11.0524193975,-0.3885957775,0.0,-0.0398726113,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Nb-Ta,4.0,ABC2_cF16_225_a_b_c:Ir-Nb-Ta +mp-571499,TaIr,-10.947852915,-0.59974701,0.0,-0.0885773225,GGA,Pmma,AB_oP12_51_ei_fj:Ir-Ta,12.0,"Invalid WP multiplicities - AB_oP12_51_ei_2f2j:Ir-Ta, expected Ta2Ir to be TaIr" +mp-1187241,TaIr3,-10.2828639138,-0.6895938713,0.0109922187,-0.3897203663,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Ta,8.0,A3B_hP8_194_h_c:Ir-Ta +mp-265,TaIr3,-10.2938561325,-0.70058609,0.0,-0.400712585,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Ta,4.0,A3B_cP4_221_c_a:Ir-Ta +mp-1217892,TaNb,-10.979440565,0.00010077,0.00010077,0.00010077,GGA,Cmmm,AB_oC4_65_a_c:Nb-Ta,2.0,AB_oC4_65_a_c:Nb-Ta +mp-1187196,Ta3Ir,-11.4246950525,-0.321753285,0.0,-0.02187978,GGA,Fm-3m,AB3_cF16_225_a_bc:Ir-Ta,4.0,AB3_cF16_225_a_bc:Ir-Ta +mp-1186561,PmCd3,-2.1813779112,-0.3015750106,0.0021374938,-0.2702656671,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Pm,8.0,A3B_hP8_194_h_c:Cd-Pm +mp-862899,PmCd3,-2.183515405,-0.3037125044,0.0,-0.2724031608,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Pm,4.0,A3B_cF16_225_ac_b:Cd-Pm +mp-864629,Pm2TlCd,-3.5476971325,-0.3510427446,0.0,-0.0963039021,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pm-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Pm-Tl +mp-1186493,Pm3Cd,-3.8875572125,-0.0939280306,0.0073094708,0.0073094708,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Pm,4.0,AB3_tI8_139_a_bd:Cd-Pm +mp-1186498,Pm3Cd,-3.8867579088,-0.0931287269,0.0081087746,0.0081087746,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Pm,8.0,AB3_hP8_194_c_h:Cd-Pm +mp-1223675,IrPd,-6.89915169,0.110006305,0.110006305,0.110006305,GGA,R-3m,AB_hR6_166_a_b:Ir-Pd,2.0,AB_hR6_166_a_b:Ir-Pd +mp-1184784,IrPd3,-5.966938065,0.1275818375,0.1275818375,0.1275818375,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-Pd,4.0,AB3_tI8_139_a_bd:Ir-Pd +mp-11454,Hf2Pd,-8.8914723533,-0.5267190633000001,0.0,-0.067580065,GGA,I4/mmm,A2B_tI6_139_e_a:Hf-Pd,3.0,A2B_tI6_139_e_a:Hf-Pd +mp-1190654,Hf2Pd,-8.8065211192,-0.4417678292,0.0849512342,0.0173711692,GGA,Fd-3m,A2B_cF96_227_cf_e:Hf-Pd,24.0,A2B_cF96_227_cf_e:Hf-Pd +mp-1207004,HfPd2,-7.5892878967,-0.8169703467,0.0013324271,0.0013324271,GGA,I4/mmm,AB2_tI6_139_a_e:Hf-Pd,3.0,AB2_tI6_139_a_e:Hf-Pd +mp-981539,Hf2IrPd,-9.30288227,-0.8197087575,0.0240556476,0.0240556476,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Pd +mp-865166,HfPd5,-6.614759655,-0.638659975,0.0,-0.0499267004,GGA,Cmmm,AB5_oC12_65_a_cgh:Hf-Pd,6.0,AB5_oC12_65_a_cgh:Hf-Pd +mp-1077225,HfPd5,-5.0440579217,0.9320417583,1.5707017333,1.5207750329,GGA,Cmmm,AB5_oC12_65_a_cgh:Hf-Pd,6.0,AB5_oC12_65_a_cgh:Hf-Pd +mp-1007692,HfPd,-8.2572439175,-0.6887084975000001,0.0,-0.0168637925,GGA,Cmcm,AB_oC8_63_c_c:Hf-Pd,4.0,AB_oC8_63_c_c:Hf-Pd +mp-1002106,HfPd,-8.196927235,-0.6283918150000001,0.0603166825,0.04345289,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Pd,2.0,AB_cP2_221_a_b:Hf-Pd +mp-11453,HfPd3,-7.2573085269,-0.8830999119,0.0,-0.155284751,GGA,P6_3/mmc,AB3_hP16_194_ac_gh:Hf-Pd,16.0,"Invalid WP multiplicities - AB3_hP16_194_ac_g2h:Hf-Pd, expected Hf2Pd9 to be HfPd3" +mp-1007656,HfPd3,-7.2431860275,-0.8689774125,0.0141224994,-0.1411622517,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Pd,4.0,AB3_cP4_221_a_c:Hf-Pd +mp-1190933,Li8Hf3,-3.05432254,1.0495820076,1.0495820076,1.0495820076,GGA,Im-3m,A3B8_cI44_229_e_ch:Hf-Li,22.0,A3B8_cI44_229_e_ch:Hf-Li +mp-973948,LiHf,-5.61115168,0.3219042683,0.3219042683,0.3219042683,GGA,P-6m2,AB_hP2_187_a_d:Hf-Li,2.0,AB_hP2_187_a_d:Hf-Li +mp-862684,LiHf2Os,-8.6646019025,-0.4019348133,0.0,-0.0475275108,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Li-Os,4.0,A2BC_cF16_225_c_a_b:Hf-Li-Os +mp-377,LuRh,-6.97204545,-1.029416255,0.0,-0.2357437636,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Rh,2.0,AB_cP2_221_a_b:Lu-Rh +mp-1210757,Lu4Rh,-5.021194835,0.068427155,0.5019736037,0.5019736037,GGA,Fd-3m,A4B_cF40_227_e_a:Lu-Rh,10.0,A4B_cF40_227_e_a:Lu-Rh +mp-1728,LuRh2,-7.184558445,-0.7680363583,0.0,-0.032916175,GGA,Fd-3m,AB2_cF24_227_a_d:Lu-Rh,6.0,AB2_cF24_227_a_d:Lu-Rh +mp-1101900,LuCo3,-6.63679576,-0.1753197837,0.0441978058,0.0441978058,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Lu,12.0,A3B_hR36_166_ach_bc:Co-Lu +mp-1204082,Lu2Co17,-6.9493916097,-0.1134282647,0.0,-0.0161993805,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Lu,38.0,A17B2_hP38_194_fgjk_bc:Co-Lu +mp-2206,LuCo2,-6.5081494617,-0.262287425,0.0,-0.0410524705,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Lu,6.0,A2B_cF24_227_c_b:Co-Lu +mp-1189116,Lu3Co,-5.3838810344,-0.2160886956,0.0,-0.0670675013,GGA,Pnma,AB3_oP16_62_c_cd:Co-Lu,16.0,AB3_oP16_62_c_cd:Co-Lu +mp-865778,Lu5Rh3,-6.4001091175,-0.8128995913,0.0,-0.0408373999999999,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Rh,16.0,A5B3_hP16_193_dg_g:Lu-Rh +mp-973886,Lu2CoRh,-6.5078919175,-0.6292602412,0.0142037166,0.0142037166,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Lu-Rh,4.0,AB2C_cF16_225_a_c_b:Co-Lu-Rh +mp-865802,LuRh3,-7.24144068,-0.5879721475,0.0,-0.0119448787,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Rh,4.0,AB3_cP4_221_a_c:Lu-Rh +mp-1222465,Lu4Co3,-5.8852871138000005,-0.2554649045,0.0,-0.0195767535,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Lu,21.0,A3B4_hP21_147_adg_2g:Co-Lu +mp-1210664,Lu4Co,-4.741072209,0.297351766,0.4702227225,0.4702227225,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Lu,10.0,AB4_cF40_227_a_e:Co-Lu +mp-1189949,Lu2Co7,-6.7386082672,-0.2052609778,0.0,-0.0154946821,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Lu,18.0,A7B2_hR54_166_a2cdh_2c:Co-Lu +mp-1079681,ZrAu3,-5.095065095,-0.5027284375000001,0.0,-0.0284610809,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Zr,8.0,A3B_oP8_59_ae_b:Au-Zr +mp-1185137,La3Zr,-5.6816571875,0.1572732987,0.1572732987,0.1572732987,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Zr,8.0,A3B_hP8_194_h_c:La-Zr +mp-1185011,La3Zr,-5.688589565,0.1503409212,0.1503409212,0.1503409212,GGA,Pm-3m,A3B_cP4_221_c_a:La-Zr,4.0,A3B_cP4_221_c_a:La-Zr +mp-1018103,ZrAu2,-5.6068416,-0.5750200567,0.0,-0.0783855733,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Zr,3.0,A2B_tI6_139_e_a:Au-Zr +mp-1103395,La2Au,-4.9357496133000005,-0.55378421,0.0,-0.0041779,GGA,Pnma,AB2_oP12_62_c_2c:Au-La,12.0,AB2_oP12_62_c_2c:Au-La +mp-1223670,La14Au51,-4.2952676597,-0.6633894832,0.0,-0.0743615343,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-La,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-La, expected La14Au71 to be La14Au51" +mp-11263,Zr3Au,-7.5767903263,-0.3475443538,0.0,-0.0347792538,GGA,Pm-3n,AB3_cP8_223_a_c:Au-Zr,8.0,AB3_cP8_223_a_c:Au-Zr +mp-1097508,LaZrAu2,-3.11484985,1.8930180838,2.5577014938,2.5577014938,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Zr,4.0,A2BC_oI8_71_e_a_b:Au-La-Zr +mp-1215274,ZrAu,-6.39523789,-0.484446575,0.01157352,0.01157352,GGA,P4/mmm,AB_tP2_123_a_d:Au-Zr,2.0,AB_tP2_123_a_d:Au-Zr +mp-2348,Zr2Au,-7.20678122,-0.4170201333,0.0,-0.0238417058,GGA,I4/mmm,AB2_tI6_139_a_e:Au-Zr,3.0,AB2_tI6_139_a_e:Au-Zr +mp-17813,ZrAu4,-4.7424614625,-0.4138157365,0.0,-0.0116329865,GGA,Pnma,A4B_oP20_62_4c_c:Au-Zr,20.0,"Invalid WP multiplicities - A4B_oP20_62_13c_c:Au-Zr, expected ZrAu13 to be ZrAu4" +mp-1172826,ZrAu4,-4.5495819895,-0.2209362635,0.192879473,0.1812464865,GGA,Pnma,A4B_oP20_62_4c_c:Au-Zr,20.0,"Invalid WP multiplicities - A4B_oP20_62_12c_c:Au-Zr, expected ZrAu12 to be ZrAu4" +mp-864901,LaAu3,-4.3731064313,-0.683693155,0.0215091054,0.0215091054,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-La,8.0,A3B_hP8_194_h_c:Au-La +mp-976113,LaAu3,-4.357483415,-0.6680701388,0.0371321217,0.0371321217,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-La,4.0,A3B_cF16_225_ac_b:Au-La +mp-1072087,LaAu2,-4.6337863517,-0.80586265,0.0,-0.0752640583,GGA,Imma,A2B_oI12_74_h_e:Au-La,6.0,A2B_oI12_74_h_e:Au-La +mp-1025399,LaAu,-4.9249785737,-0.8200340212,0.0043754437,-0.1402105912,GGA,Pnma,AB_oP8_62_c_c:Au-La,8.0,AB_oP8_62_c_c:Au-La +mp-1002136,LaAu,-4.9293540175,-0.824409465,0.0,-0.144586035,GGA,Cmcm,AB_oC8_63_c_c:Au-La,4.0,AB_oC8_63_c_c:Au-La +mp-570855,SmAgPb,-4.2008482233,-0.4462518206,0.0,-0.0726552065,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Pb-Sm,6.0,ABC_hP6_186_b_b_a:Ag-Pb-Sm +mp-1223925,HoFeRu,-7.6799459133,-0.2376683733,0.0007164276,0.0007164276,GGA,Imma,ABC_oI12_74_a_e_c:Fe-Ho-Ru,6.0,ABC_oI12_74_a_e_c:Fe-Ho-Ru +mp-865379,LuSnRu2,-7.21001734,-0.4401854762,0.0,-0.0747565403,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Sn +mp-680677,Sn3Ru2,-6.2940762565,-0.1785721275,0.0016199621,0.0016199621,GGA,P-4c2,A2B3_tP20_116_adi_ej:Ru-Sn,20.0,"Invalid WP multiplicities - A2B3_tP20_116_a2d2i_3e3j:Ru-Sn, expected Sn18Ru7 to be Sn3Ru2" +mp-22344,Sn7Ru3,-5.799245165,-0.2102241045,0.0,-0.0762950089,GGA,Im-3m,A3B7_cI40_229_e_df:Ru-Sn,20.0,A3B7_cI40_229_e_df:Ru-Sn +mp-1187108,Sn3Ru,-4.9786933637,0.3470861625,0.5222729163000001,0.5222729163000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ru-Sn,8.0,AB3_hP8_194_c_h:Ru-Sn +mp-510219,Sn2Ru,-5.9118586417,-0.147343225,0.0528702079,0.0528702079,GGA,I4/mcm,AB2_tI12_140_a_h:Ru-Sn,6.0,AB2_tI12_140_a_h:Ru-Sn +mp-1101946,TbAsPd,-6.0196766467,-1.1952212083,0.0,-0.0670902657,GGA,Pnma,ABC_oP12_62_c_c_c:As-Pd-Tb,12.0,ABC_oP12_62_c_c_c:As-Pd-Tb +mp-980061,TbAs3,-5.1499123513,-0.4969820225,0.2686008212,0.2686008212,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Tb,8.0,A3B_hP8_194_h_c:As-Tb +mp-1187312,TbAs3,-5.156532835,-0.5036025062,0.2619803375,0.2619803375,GGA,Pm-3m,A3B_cP4_221_c_a:As-Tb,4.0,A3B_cP4_221_c_a:As-Tb +mp-2640,TbAs,-6.17790794,-1.5311656875,0.0,-1.1954306833,GGA,Fm-3m,AB_cF8_225_a_b:As-Tb,2.0,AB_cF8_225_a_b:As-Tb +mp-1183114,AcCu3,-4.183301825,-0.0786030706,0.0,-0.0786030706,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Cu,8.0,AB3_hP8_194_c_h:Ac-Cu +mp-861883,Ac2CuIr,-5.6146603125,-0.3196625962,0.0,-0.2934615727,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Ir,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Ir +mp-972077,TcGe3,-5.64977517,0.4076554575,0.4076554575,0.4076554575,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Tc,4.0,A3B_tI8_139_ad_b:Ge-Tc +mp-972324,Tc3As,-8.774286505,0.160972305,0.2776740208,0.2776740208,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Tc,4.0,AB3_tI8_139_a_bd:As-Tc +mp-1187415,Tc3Ge,-8.8624287437,0.0638074288,0.0638074288,0.0638074288,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Tc,8.0,AB3_hP8_194_c_h:Ge-Tc +mp-1187385,Tc3Ge,-8.8640805,0.0621556725,0.0621556725,0.0621556725,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Tc,4.0,AB3_cF16_225_a_bc:Ge-Tc +mp-1096754,Tc2GeAs,-4.979086605,2.5217694325,2.6384711483,2.6384711483,GGA,Immm,ABC2_oI8_71_a_b_e:As-Ge-Tc,4.0,ABC2_oI8_71_a_b_e:As-Ge-Tc +mp-8886,Tc2As3,-7.219810739,-0.280084118,0.0,-0.280084118,GGA,P-1,A3B2_aP20_2_6i_4i:As-Tc,20.0,A3B2_aP20_2_6i_4i:As-Tc +mp-972202,TcAs3,-5.6798783825,0.4046201575,0.5796727312000001,0.5796727312000001,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Tc,4.0,A3B_tI8_139_ad_b:As-Tc +mp-1187399,TcAs3,-5.670705915,0.413792625,0.5888451987000001,0.5888451987000001,GGA,Fm-3m,A3B_cF16_225_ac_b:As-Tc,4.0,A3B_cF16_225_ac_b:As-Tc +mp-543052,Tm5Sb3,-5.2715715491,-0.9257989445,0.0019912503,-0.0493115486,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Tm,32.0,A3B5_oP32_62_cd_3cd:Sb-Tm +mp-972463,Tm5Sb3,-5.2735627994,-0.9277901948,0.0,-0.0513027989,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Tm,16.0,A3B5_hP16_193_g_dg:Sb-Tm +mp-16314,TmSbPt,-6.1693852667,-1.2773952722,0.0,-0.2545357537,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sb-Tm,3.0,ABC_cF12_216_c_a_b:Pt-Sb-Tm +mp-1018120,TmSb2,-4.5575256733,-0.3129130389,0.45770008,0.45770008,GGA,C222,A2B_oC6_21_k_a:Sb-Tm,3.0,A2B_oC6_21_k_a:Sb-Tm +mp-17861,Tm3Sb,-4.9861819909000005,-0.5970551134000001,0.0214716831,0.0214716831,GGA,P4_2/n,AB3_tP32_86_g_3g:Sb-Tm,32.0,AB3_tP32_86_g_3g:Sb-Tm +mp-1187662,TmSb3,-4.698151115,-0.4824413292,0.09551851,0.09551851,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sb-Tm,8.0,A3B_hP8_194_h_c:Sb-Tm +mp-1207961,Tm5SbPt2,-5.8455155881,-1.0142099635,0.0185939688,0.0185939688,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pt-Sb-Tm,16.0,A2BC5_tI32_140_h_a_cl:Pt-Sb-Tm +mp-1002220,TmSb,-5.1113723,-0.8089539683,0.34696571,-0.0296133954,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Tm,2.0,AB_cP2_221_a_b:Sb-Tm +mp-2520,TmSb,-5.45833801,-1.1559196783,0.0,-0.3765791054,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Tm,2.0,AB_cF8_225_a_b:Sb-Tm +mp-1102731,YbCd2,-1.4499473433,-0.3214847433,0.0082655375,0.0082655375,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cd-Yb,,A2B_hP12_194_ah_f:Cd-Yb +mp-1183573,CaYbCd2,-1.718399615,-0.370652695,0.004414795,0.004414795,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Yb,,AB2C_cF16_225_a_c_b:Ca-Cd-Yb +mp-1217591,YbCd6,-1.214997367,-0.2040049613,0.0071760213,-0.034514222,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Yb,,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Yb, expected YbCd8 to be YbCd6" +mp-680604,YbCd6,-1.2221733883,-0.2111809826,0.0,-0.0416902433,GGA,I23,A6B_cI168_197_3cde4f_f:Cd-Yb,,"Invalid WP multiplicities - A6B_cI168_197_11c5d6e39f_f:Cd-Yb, expected Yb6Cd289 to be YbCd6" +mp-1187925,Yb3Cd,-1.5085026575,-0.1230740075,0.07494262,0.07494262,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Yb,,AB3_cP4_221_a_c:Cd-Yb +mp-1187945,Yb3Cd,-1.4738708575,-0.0884422075,0.10957442,0.10957442,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Yb,,AB3_cF16_225_a_bc:Cd-Yb +mp-1227062,CaYb3,-1.6363922375,0.0197139425,0.0197139425,0.0197139425,GGA,Cmm2,AB3_oC8_35_a_bc:Ca-Yb,,AB3_oC8_35_a_bc:Ca-Yb +mp-1183558,CaYb3,-1.63565653,0.02044965,0.02044965,0.02044965,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Yb,,AB3_cP4_221_a_c:Ca-Yb +mp-1227047,CaYb3,-1.633118485,0.022987695,0.022987695,0.022987695,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Yb,,"Invalid WP multiplicities - AB3_tI8_139_a_b2d:Ca-Yb, expected CaYb5 to be CaYb3" +mp-1183611,CaYb3,-1.6165904662,0.0395157138,0.0395157138,0.0395157138,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Yb,,AB3_hP8_194_c_h:Ca-Yb +mp-1183594,CaYb3,-1.62536999,0.03073619,0.03073619,0.03073619,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Yb,,AB3_cF16_225_a_bc:Ca-Yb +mp-1187653,YbCd3,-1.3736781838,-0.2966087937,0.0,-0.0233819457,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Yb,,A3B_hP8_194_h_c:Cd-Yb +mp-865366,YbCd3,-1.3728803025,-0.2958109125,0.0007978813,-0.0225840645,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Yb,,A3B_cF16_225_ac_b:Cd-Yb +mp-1857,YbCd,-1.627282275,-0.396033255,0.0,-0.153912806,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Yb,,AB_cP2_221_a_b:Cd-Yb +mp-1183850,CeBi3,-4.84012622,-0.4764870838,0.0,-0.0575971625,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Ce,4.0,A3B_tI8_139_ad_b:Bi-Ce +mp-23252,Ce4Bi3,-5.759788175,-0.7235276021,0.0,-0.0033932093,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Ce,14.0,A3B4_cI28_220_a_c:Bi-Ce +mp-1206513,CeGeBi2,-4.970357085,-0.4110832675,0.0595600656,0.0595600656,GGA,I4/mmm,A2BC_tI16_139_cd_e_e:Bi-Ce-Ge,8.0,A2BC_tI16_139_cd_e_e:Bi-Ce-Ge +mp-1188996,Ce5Bi3,-5.7501734919,-0.6018093462,0.0315754884,0.0315754884,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Ce,16.0,A3B5_hP16_193_g_dg:Bi-Ce +mp-635471,CeBi,-5.57291311,-0.6861239675,0.151655875,-0.0174942583,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Ce,2.0,AB_tP2_123_a_d:Bi-Ce +mp-639445,CeBi,-5.547819555,-0.6610304125,0.17674943,0.0075992967,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Ce,2.0,AB_cP2_221_a_b:Bi-Ce +mp-23285,CeBi,-5.724568985,-0.8377798425,0.0,-0.1691501333,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Ce,2.0,AB_cF8_225_a_b:Bi-Ce +mp-1199773,Ce5GeBi2,-5.8769892344,-0.6308077481000001,0.0,-0.0051592982,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Bi-Ce-Ge,32.0,A2B5C_oP32_62_d_3cd_c:Bi-Ce-Ge +mp-1077367,Ce2Bi,-5.7988296067,-0.5632737933,0.0,-0.0005301028,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Ce,6.0,AB2_tI12_139_e_ce:Bi-Ce +mp-973623,GeBi3,-3.843111095,0.1930127163,0.1930127163,0.1930127163,GGA,Fm-3m,A3B_cF16_225_ac_b:Bi-Ge,4.0,A3B_cF16_225_ac_b:Bi-Ge +mp-1223722,InSn3,-3.643790515,0.0513093087,0.0513093087,0.0513093087,GGA,P-6m2,AB3_hP4_187_a_bh:In-Sn,4.0,AB3_hP4_187_a_bh:In-Sn +mp-1184812,InSn3,-3.63955825,0.0555415737,0.0555415737,0.0555415737,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Sn,8.0,AB3_hP8_194_c_h:In-Sn +mp-1184776,InSn3,-3.6493968275,0.0457029962,0.0457029962,0.0457029962,GGA,Pm-3m,AB3_cP4_221_a_c:In-Sn,4.0,AB3_cP4_221_a_c:In-Sn +mp-22870,InBr,-3.132871465,-0.980515435,0.0,-0.0390794263,GGA,Cmcm,AB_oC8_63_c_c:Br-In,4.0,AB_oC8_63_c_c:Br-In +mp-1223653,InSn4,-3.610148678,0.147845552,0.147845552,0.147845552,GGA,Cmmm,AB4_oC10_65_a_2g:In-Sn,5.0,"Invalid WP multiplicities - AB4_oC10_65_a_3g:In-Sn, expected InSn6 to be InSn4" +mp-23507,InSn2Br5,-3.4512619806,-1.1342658444,0.0062877256,0.0062877256,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-In-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:Br-In-Sn, expected InSn2Br9 to be InSn2Br5" +mp-568108,InBr2,-3.16341476,-1.21083463,0.0,-0.0078450301,GGA,Pnna,A2B_oP24_52_2e_cd:Br-In,24.0,"Invalid WP multiplicities - A2B_oP24_52_11e_4c3d:Br-In, expected In7Br22 to be InBr2" +mp-570219,InBr3,-3.1565316638,-1.3038394838,0.0,-0.3957135112,GGA,C2/m,A3B_mC16_12_ij_g:Br-In,8.0,"Invalid WP multiplicities - A3B_mC16_12_2i2j_g:Br-In, expected InBr6 to be InBr3" +mp-23216,SnBr4,-3.2288945405,-1.1845575055,0.0,-0.4694251125,GGA,P2_1/c,A4B_mP20_14_4e_e:Br-Sn,20.0,A4B_mP20_14_4e_e:Br-Sn +mp-685174,In2Br3,-3.1537042276,-1.1212137376,0.0010959553,-0.0025067856,GGA,P2_1,A3B2_mP160_4_48a_32a:Br-In,160.0,A3B2_mP160_4_96a_64a:Br-In +mp-685014,In2Br3,-3.1548001829,-1.1223096929,0.0,-0.0036027409,GGA,P2_12_12_1,A3B2_oP80_19_12a_8a:Br-In,80.0,"Invalid WP multiplicities - A3B2_oP80_19_48a_29a:Br-In, expected In29Br48 to be In2Br3" +mp-1224025,In3Sn,-3.02759182,0.0385639413,0.0385639413,0.0385639413,GGA,C2/m,A3B_mC8_12_ai_c:In-Sn,4.0,"Invalid WP multiplicities - A3B_mC8_12_a2i_c:In-Sn, expected In5Sn to be In3Sn" +mp-1184894,In3Sn,-3.03287783,0.0332779313,0.0332779313,0.0332779313,GGA,Pm-3m,A3B_cP4_221_c_a:In-Sn,4.0,A3B_cP4_221_c_a:In-Sn +mp-652621,In5Br7,-3.1442540359,-1.0917859559,0.0068913606,0.0068913606,GGA,Cc,A7B5_mC192_9_28a_20a:Br-In,96.0,"Invalid WP multiplicities - A7B5_mC192_9_55a_38a:Br-In, expected In38Br55 to be In5Br7" +mp-568546,In5Br7,-3.1460232592,-1.0935551792,0.0051221374,0.0051221374,GGA,C2/c,A7B5_mC192_15_14f_2e9f:Br-In,96.0,"Invalid WP multiplicities - A7B5_mC192_15_52f_4e36f:Br-In, expected In19Br26 to be In5Br7" +mp-680178,In5Br7,-3.1450980085,-1.0926299285,0.006047388,0.006047388,GGA,P4_12_12,A7B5_tP192_92_14b_2a9b:Br-In,192.0,"Invalid WP multiplicities - A7B5_tP192_92_108b_8a68b:Br-In, expected In2Br3 to be In5Br7" +mp-28988,In7Br9,-3.1365555773,-1.0591155098,0.0100213363,0.0100213363,GGA,Pa-3,A9B7_cP64_205_acd_bd:Br-In,64.0,"Invalid WP multiplicities - A9B7_cP64_205_a3c3d_bd:Br-In, expected In7Br25 to be In7Br9" +mp-998398,InSnBr3,-3.383548804,-1.099480689,0.01027263,0.007857878,GGA,P1,A3BC_aP5_1_3a_a_a:Br-In-Sn,5.0,A3BC_aP5_1_3a_a_a:Br-In-Sn +mp-1224379,InSnBr3,-3.3507206608,-1.0666525458,0.0431007732,0.0406860212,GGA,Fmm2,A3BC_oF160_42_2a2cd4e_cde_2abcd:Br-In-Sn,40.0,"Invalid WP multiplicities - A3BC_oF160_42_2a4cd15e_2cd2e_2abcd:Br-In-Sn, expected In7(SnBr9)4 to be InSnBr3" +mp-998555,InSnBr3,-3.393821434,-1.109753319,0.0,-0.002414752,GGA,R3c,A3BC_hR30_161_b_a_a:Br-In-Sn,10.0,A3BC_hR30_161_b_a_a:Br-In-Sn +mp-29862,SnBr2,-3.5611126308000003,-1.1892364592,0.0026508625,-0.2021052046,GGA,Pnma,A2B_oP12_62_2c_c:Br-Sn,12.0,A2B_oP12_62_2c_c:Br-Sn +mp-978985,SnBr2,-3.5563384333,-1.1844622617,0.00742506,-0.1973310071,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Sn,6.0,A2B_tP6_136_f_a:Br-Sn +mp-1272139,SnBr2,-3.5637634933,-1.1918873217,0.0,-0.2047560671,GGA,P-3m1,A2B_hP3_164_d_a:Br-Sn,3.0,A2B_hP3_164_d_a:Br-Sn +mp-1105170,SnBr2,-3.5549489533000003,-1.1830727817,0.00881454,-0.1959415271,GGA,P6_3/m,A2B_hP18_176_2h_h:Br-Sn,18.0,A2B_hP18_176_2h_h:Br-Sn +mp-680760,In4Br7,-3.1498525386,-1.1609495177,0.0096465045,0.0096465045,GGA,C2/c,A7B4_mC88_15_7f_ce3f:Br-In,44.0,"Invalid WP multiplicities - A7B4_mC88_15_26f_2c2e11f:Br-In, expected InBr2 to be In4Br7" +mp-568692,In4Br7,-3.1434181959,-1.154515175,0.0160808472,0.0160808472,GGA,R-3m,A7B4_hR66_166_c2h_ab3c:Br-In,22.0,"Invalid WP multiplicities - A7B4_hR66_166_2c9h_ab6c:Br-In, expected In7Br29 to be In4Br7" +mp-1219961,SmCd6,-1.6519836335,-0.1868515342,0.0112559132,0.0112559132,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Sm,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Sm, expected SmCd8 to be SmCd6" +mp-567122,Sm11Cd45,-1.9321675177,-0.2636945412,0.0,-0.0196680536,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Sm,112.0,"Invalid WP multiplicities - A45B11_cF448_216_ac16e4f5g55h_bd6e5h:Cd-Sm, expected Sm43Cd390 to be Sm11Cd45" +mp-1188617,Sm7Pt3,-5.8932904795,-0.768940189,0.0,-0.0532113415,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Pt-Sm,20.0,A3B7_hP20_186_c_b2c:Pt-Sm +mp-1187010,Sm3Cd,-3.8600979025,-0.0904358613,0.069291575,0.069291575,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Sm,4.0,AB3_tI8_139_a_bd:Cd-Sm +mp-979339,Sm3Cd,-3.8617058125,-0.0920437712,0.067683665,0.067683665,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Sm,8.0,AB3_hP8_194_c_h:Cd-Sm +mp-30845,SmPt3,-6.6283293125,-0.8953327888,0.0,-0.0953495888,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Sm,4.0,A3B_cP4_221_c_a:Pt-Sm +mp-582240,Sm13Cd58,-1.8488727414,-0.2309963212,0.0163784267,0.0163784267,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Cd-Sm,142.0,"Invalid WP multiplicities - A58B13_hP142_194_2b2c4f5g6h11i11j42k19l_2a9h7k:Cd-Sm, expected Sm71Cd657 to be Sm13Cd58" +mp-1025431,SmPt,-6.58774114,-1.1928814125,0.0,-0.1539210622,GGA,Pnma,AB_oP8_62_c_c:Pt-Sm,8.0,AB_oP8_62_c_c:Pt-Sm +mp-979465,SmCd3,-2.1682068588,-0.296393005,0.0,-0.0055313506,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Sm,8.0,A3B_hP8_194_h_c:Cd-Sm +mp-867158,SmCd3,-2.1681678025,-0.2963539488,3.90562e-05,-0.0054922943,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Sm,4.0,A3B_cF16_225_ac_b:Cd-Sm +mp-30495,SmCd2,-2.5212434933,-0.3331216083,0.0,-0.0290413142,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Sm,3.0,A2B_hP3_191_c_b:Cd-Sm +mp-1208941,Sm4CdPt,-4.8733258221,-0.5619312188,0.0,-0.0282572674,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pt-Sm,24.0,ABC4_cF96_216_e_e_efg:Cd-Pt-Sm +mp-572,SmCd,-3.14019282,-0.3194548725,0.0,-0.0696136663,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Sm,2.0,AB_cP2_221_a_b:Cd-Sm +mp-1208942,Sm4Pt,-5.012380542,-0.02328497,0.4893418227,0.4893418227,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Sm,10.0,AB4_cF40_227_a_e:Pt-Sm +mp-1104800,Sm3Pt4,-6.6268663629,-1.1353961221,0.0033836564,0.0033836564,GGA,R-3,A4B3_hR42_148_abf_f:Pt-Sm,14.0,A4B3_hR42_148_abf_f:Pt-Sm +mp-1127,SmPt2,-6.686928525,-1.0666442667,0.0,-0.0592819223,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Sm,6.0,A2B_cF24_227_c_b:Pt-Sm +mp-1203399,SmCd11,-1.36443069,-0.1252328987,0.0,-0.0133624873,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Sm,36.0,A11B_cP36_221_agij_c:Cd-Sm +mp-1186347,Ni3Rh,-6.140653015,0.0355264625,0.0355264625,0.0355264625,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Rh,8.0,A3B_hP8_194_h_c:Ni-Rh +mp-1185909,MgNi3,-4.7847135075,-0.049540985,0.1158686378,0.1158686378,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Ni,4.0,AB3_tI8_139_a_bd:Mg-Ni +mp-1185907,MgNi3,-4.8058458575,-0.070673335,0.0947362878,0.0947362878,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Ni,8.0,AB3_hP8_194_c_h:Mg-Ni +mp-1063661,MgNi3,-4.8069923875,-0.071819865,0.0935897578,0.0935897578,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Ni,4.0,AB3_cP4_221_a_c:Mg-Ni +mp-1016229,Mg3Ni,-2.601243755,0.0440004525,0.1792103107,0.1792103107,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Ni,4.0,A3B_oP4_25_abc_d:Mg-Ni +mp-1185921,MgNi5,-5.0996708917,-0.0161769833,0.0940960985,0.0940960985,GGA,R32,AB5_hR18_155_a_ce:Mg-Ni,6.0,AB5_hR18_155_a_ce:Mg-Ni +mp-1220054,NiRh,-6.502018325,0.07020395,0.07020395,0.07020395,GGA,R-3m,AB_hR6_166_a_b:Ni-Rh,2.0,AB_hR6_166_a_b:Ni-Rh +mp-1185908,MgNi,-3.8383822175,-0.1481738525,0.0486793833,0.0486793833,GGA,Pmma,AB_oP4_51_e_f:Mg-Ni,4.0,AB_cP2_221_a_b:Mg-Ni +mp-1018140,MgNi,-3.841390745,-0.15118238,0.0456708558,0.0456708558,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Ni,2.0,AB_tP2_123_a_d:Mg-Ni +mp-978288,MgNi,-3.8287620567,-0.1385536917,0.0582995441,0.0582995441,GGA,R-3m,AB_hR18_166_ac_d:Mg-Ni,6.0,AB_hR18_166_ac_d:Mg-Ni +mp-1010953,MgNi,-3.842773235,-0.15256487,0.0442883658,0.0442883658,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Ni,2.0,AB_cP2_221_a_b:Mg-Ni +mp-1016301,Mg7Ni,-2.0948678225,0.0278943062,0.1061784902,0.1061784902,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Ni,8.0,A7B_hP8_187_ajk_d:Mg-Ni +mp-1185770,Mg2NiRh,-4.433239555,-0.3469883925,0.0101703652,0.0101703652,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Ni-Rh,4.0,A2BC_cF16_225_c_a_b:Mg-Ni-Rh +mp-1023622,Mg15Ni,-1.8424348438,0.0190862456,0.0689075924,0.0689075924,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Ni,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Ni, expected Mg27Ni to be Mg15Ni" +mp-1101861,Mg2Ni,-2.9420585692000003,0.0515070242,0.2246673319,0.1729867141,GGA,Cc,A2B_mC24_9_4a_2a:Mg-Ni,12.0,A2B_mC24_9_4a_2a:Mg-Ni +mp-1185791,Mg2Ni,-3.1655660783,-0.172000485,0.0011598228,-0.0505207951,GGA,I4/mcm,A2B_tI12_140_h_a:Mg-Ni,6.0,A2B_tI12_140_h_a:Mg-Ni +mp-2137,Mg2Ni,-3.1667259011,-0.1731603078,0.0,-0.0516806178,GGA,P6_222,A2B_hP18_180_fj_ac:Mg-Ni,18.0,A2B_hP18_180_fj_ac:Mg-Ni +mp-1077177,Mg2Ni,-2.94903024,0.0445353533,0.2176956611,0.1660150433,GGA,Fm-3m,A2B_cF12_225_c_a:Mg-Ni,3.0,A2B_cF12_225_c_a:Mg-Ni +mp-1061691,MgNi2,-4.42842437,-0.0415732333,0.1789729304,0.06013668,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Ni,3.0,AB2_tI6_139_a_e:Mg-Ni +mp-2675,MgNi2,-4.6073973004,-0.2205461637,0.0,-0.1188362504,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Mg-Ni,24.0,AB2_hP24_194_ef_fgh:Mg-Ni +mp-1185705,MgNi2,-4.604685615,-0.2178344783,0.0027116854,-0.116124565,GGA,Fd-3m,AB2_cF24_227_a_d:Mg-Ni,6.0,AB2_cF24_227_a_d:Mg-Ni +mp-1185599,Mg149Ni,-1.6525403065000002,-0.0243945456,0.0,-0.0209313394,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Ni,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Ni, expected Mg315Ni to be Mg149Ni" +mp-7138,YbSb2,-4.0313604383,-0.7654901850000001,0.0,-0.1066079138,GGA,Cmcm,A2B_oC12_63_2c_c:Sb-Yb,,A2B_oC12_63_2c_c:Sb-Yb +mp-1916,YbSb,-3.57217434,-0.73786958,0.263779816,0.263779816,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Yb,,AB_cF8_225_a_b:Sb-Yb +mp-570014,YbSbPt,-4.92731983,-1.0140722167,0.0,-0.0854232531,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sb-Yb,,ABC_cF12_216_c_a_b:Pt-Sb-Yb +mp-1207622,Yb5Pt9,-5.3632987839,-0.9105672639,0.1665486389,0.1665486389,GGA,P4_2/mnm,A9B5_tP28_136_aij_bi:Pt-Yb,,"Invalid WP multiplicities - A9B5_tP28_136_a2i2j_2b2i:Pt-Yb, expected Yb10Pt17 to be Yb5Pt9" +mp-571358,Yb3Pt4,-5.05069405,-0.92164289,0.1501243113,0.1501243113,GGA,R-3,A4B3_hR42_148_abf_f:Pt-Yb,,A4B3_hR42_148_abf_f:Pt-Yb +mp-1102776,Yb2Pt,-3.9997183267,-0.9496017,0.0,-0.0160235153,GGA,Pnma,AB2_oP12_62_c_2c:Pt-Yb,,AB2_oP12_62_c_2c:Pt-Yb +mp-17402,Yb11Sb10,-3.8080389729,-1.0353864262,0.0,-0.0307133566,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Sb-Yb,,"Invalid WP multiplicities - A10B11_tI84_139_2d2e4h3i6m_e4h12n:Sb-Yb, expected Yb19Sb14 to be Yb11Sb10" +mp-1207604,Yb4Pt,-2.675849148,-0.22993586,0.3638071365,0.3638071365,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Yb,,AB4_cF40_227_a_e:Pt-Yb +mp-300,YbPt3,-5.7141038250000005,-0.7758517650000001,0.0333223375,0.0333223375,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Yb,,A3B_cP4_221_c_a:Pt-Yb +mp-16826,Yb5Sb3,-3.5425541434,-1.0319235034,0.0057139322,-0.1005133116,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Yb,,A3B5_oP32_62_cd_3cd:Sb-Yb +mp-201,Yb5Sb3,-3.5482680756,-1.0376374356,0.0,-0.1062272438,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Yb,,A3B5_hP16_193_g_dg:Sb-Yb +mp-1295,Yb4Sb3,-3.7138169107,-1.0644687907,0.0,-0.028023066,GGA,I-43d,A3B4_cI28_220_a_c:Sb-Yb,,A3B4_cI28_220_a_c:Sb-Yb +mp-1190212,Yb5Pt3,-4.2472105206,-1.0082803506,0.0,-0.0164323886,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Yb,,A3B5_hP16_193_g_dg:Pt-Yb +mp-1197435,Yb5Pt4,-4.6158778075,-1.0622583986,0.0,-0.0327168817,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pt-Yb,,A4B5_oP36_62_2cd_c2d:Pt-Yb +mp-570180,YbPt,-4.85192125,-1.04655045,0.0198680498,0.0198680498,GGA,Pnma,AB_oP8_62_c_c:Pt-Yb,,AB_oP8_62_c_c:Pt-Yb +mp-1104662,Yb5Pt2,-3.6825340007,-0.8482042807,0.0,-0.0342599664,GGA,C2/c,A2B5_mC28_15_f_e2f:Pt-Yb,,A2B5_mC28_15_f_e2f:Pt-Yb +mp-410,YbPt2,-5.6395237767,-1.0788988033,0.0,-0.1982683169,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Yb,,A2B_cF24_227_c_b:Pt-Yb +mp-1186632,PmPr,-4.73727952,0.0284445187,0.0284445187,0.0284445187,GGA,P-6m2,AB_hP2_187_a_d:Pm-Pr,2.0,AB_hP2_187_a_d:Pm-Pr +mp-1186626,PmPrMg2,-3.28599317,-0.1029911256,0.00603235,0.00603235,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pm-Pr,4.0,A2BC_cF16_225_c_a_b:Mg-Pm-Pr +mp-1186635,PmPr3,-4.7593257875,0.0139891094,0.0139891094,0.0139891094,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Pr,4.0,AB3_tI8_139_a_bd:Pm-Pr +mp-1186526,Pm3Pr,-4.7440168775,0.0141163031,0.0141163031,0.0141163031,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Pr,4.0,A3B_tI8_139_ad_b:Pm-Pr +mp-1186531,Pm3Pr,-4.726707455,0.0314257256,0.0314257256,0.0314257256,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Pr,8.0,A3B_hP8_194_h_c:Pm-Pr +mp-864907,MgZrPd2,-5.8264606275,-0.6995245525,0.0,-0.0026201263,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Zr +mp-2286,Li2Se,-3.85571906,-1.4177999897,0.0,-1.4177999897,GGA,Fm-3m,A2B_cF12_225_c_a:Li-Se,3.0,A2B_cF12_225_c_a:Li-Se +mp-1247874,Ag2Se,-0.8985136178,2.155160877,2.3796828089,2.28214593,GGA,P1,A2B_aP9_1_6a_3a:Ag-Se,9.0,A2B_aP9_1_6a_3a:Ag-Se +mp-568889,Ag2Se,-3.1519764825,-0.0983019877,0.1262199442,0.0286830652,GGA,P222_1,A2B_oP12_17_abe_e:Ag-Se,12.0,"Invalid WP multiplicities - A2B_oP12_53_3g3h_h:Ag-Se, expected Ag6Se to be Ag2Se" +mp-754954,Ag2Se,-3.2731696567,-0.2194951619,0.00502677,-0.0925101089,GGA,P2_12_12_1,A2B_oP12_19_2a_a:Ag-Se,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Ag-Se, expected Ag5Se to be Ag2Se" +mp-568936,Ag2Se,-3.2781964267,-0.2245219319,0.0,-0.0975368789,GGA,P2_12_12_1,A2B_oP12_19_2a_a:Ag-Se,12.0,"Invalid WP multiplicities - A2B_oP12_19_7a_a:Ag-Se, expected Ag7Se to be Ag2Se" +mp-1183005,Ag2Se,-3.2259328975,-0.1722584027,0.0522635292,-0.0452733498,GGA,P2_12_12_1,A2B_oP12_19_2a_a:Ag-Se,12.0,A2B_oP12_19_2a_a:Ag-Se +mp-32758,Ag2Se,-3.2428867117,-0.1892122169,0.035309715,-0.0622271639,GGA,Cmce,A2B_oC12_64_f_a:Ag-Se,6.0,A2B_oC12_64_f_a:Ag-Se +mp-2275442,Ag2Se,-3.1524637883,-0.0987892936,0.1257326383,0.0281957594,GGA,Pmma,A2B_oP6_51_ef_e:Ag-Se,6.0,"Invalid WP multiplicities - A2B_oP6_51_2e2f_e:Ag-Se, expected Ag4Se to be Ag2Se" +mp-568971,Ag2Se,-3.2714319275,-0.2177574327,0.0067644992,-0.0907723798,GGA,Pnma,A2B_oP12_62_2c_c:Ag-Se,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Ag-Se, expected Ag5Se to be Ag2Se" +mp-2022604,Ag2Se,-3.2739931425,-0.2203186477,0.0042032842,-0.0933335948,GGA,Pnma,A2B_oP12_62_2c_c:Ag-Se,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Ag-Se, expected Ag5Se to be Ag2Se" +mp-1229100,Ag2Se,-3.2528528067,-0.1991783119,0.02534362,-0.0721932589,GGA,Fm-3m,A2B_cF12_225_c_a:Ag-Se,3.0,A2B_tI6_139_d_a:Ag-Se +mp-379,AgSe,-3.312473385,-0.1482396445,0.1021692242,0.1021692242,GGA,F-43m,AB_cF8_216_a_c:Ag-Se,2.0,AB_cF8_216_a_c:Ag-Se +mp-1101086,AgSe5,-3.6875349742,-0.3021827422,0.0,-0.2460522593,GGA,Cc,AB5_mC24_9_a_5a:Ag-Se,12.0,AB5_mC24_9_a_5a:Ag-Se +mp-1100393,LiAgSe,-3.3923455033,-0.6465487208,0.17461224,0.17461224,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Li-Se,3.0,ABC_cF12_216_a_c_b:Ag-Li-Se +mp-1183249,Ag3Se,-3.09618031,-0.0977854381,0.0706060108,0.0706060108,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Se,8.0,A3B_hP8_194_h_c:Ag-Se +mp-1201245,PrCd11,-1.3913821244,-0.1469910315,0.0,-0.02457567,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Pr,36.0,A11B_cP36_221_agij_c:Cd-Pr +mp-1209336,Pr2Sn3,-5.024650466,-0.7065450510000001,0.0,-0.0313239247,GGA,P-1,A2B3_aP20_2_4i_6i:Pr-Sn,20.0,A2B3_aP20_2_4i_6i:Pr-Sn +mp-975641,Pr3Cd,-3.9189046625,-0.1025029062,0.0561757675,0.0561757675,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Pr,4.0,AB3_tI8_139_a_bd:Cd-Pr +mp-1222226,PrCd6,-1.6838898076,-0.2098549055,0.0060655528,0.0060655528,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Pr,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Pr, expected PrCd8 to be PrCd6" +mp-1196361,Pr5Sn4,-5.1860193608,-0.7479286725000001,0.0,-0.05930537,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Pr-Sn,36.0,A5B4_oP36_62_c2d_2cd:Pr-Sn +mp-581655,Pr13Cd58,-1.8863605358,-0.2570734809,0.0054471532,0.0054471532,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Cd-Pr,142.0,"Invalid WP multiplicities - A58B13_hP142_194_2b2c4f5g6h11i11j42k19l_2a9h7k:Cd-Pr, expected Pr71Cd657 to be Pr13Cd58" +mp-1190005,Pr3Sn5,-4.9623580525,-0.663535985,0.0180115087,0.0180115087,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Pr-Sn,16.0,A3B5_oC32_63_ce_cfg:Pr-Sn +mp-1025069,PrSn2,-4.9065680533,-0.6398848983000001,0.0,-0.0218019767,GGA,Cmmm,AB2_oC12_65_g_ach:Pr-Sn,6.0,AB2_oC12_65_g_ach:Pr-Sn +mp-376,PrSn3,-4.70991059,-0.50750526,0.0,-0.0275915862,GGA,Pm-3m,AB3_cP4_221_a_c:Pr-Sn,4.0,AB3_cP4_221_a_c:Pr-Sn +mp-570696,Pr5Sn3,-5.1722780644,-0.6806225219,0.0,-0.0431291637,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Pr-Sn,16.0,"Invalid WP multiplicities - A5B3_tI32_140_b2k_2a2h:Pr-Sn, expected Pr3Sn2 to be Pr5Sn3" +mp-1189687,Pr5Sn3,-5.1679365519000005,-0.6762810094,0.0043415125,-0.0387876512,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Pr-Sn,16.0,A5B3_hP16_193_dg_g:Pr-Sn +mp-1204245,Pr11Cd45,-1.9586712728,-0.2779569423,0.0,-0.0105589149,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Pr,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Pr +mp-2324,PrCd2,-2.5499892467,-0.341094155,0.0,-0.0293810283,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Pr,3.0,A2B_hP3_191_c_b:Cd-Pr +mp-982009,Pr2CdSn,-4.1583333525,-0.5347650712,0.0336781969,0.0336781969,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pr-Sn,4.0,AB2C_cF16_225_a_c_b:Cd-Pr-Sn +mp-646,PrCd,-3.169255105,-0.3173573475,0.0,-0.0615367312,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Pr,2.0,AB_cP2_221_a_b:Cd-Pr +mp-1209313,Pr2Sn5,-4.7729838321,-0.5430308629,0.0212085279,0.0212085279,GGA,Cmmm,A2B5_oC28_65_2g_acg3h:Pr-Sn,14.0,A2B5_oC28_65_2g_acg3h:Pr-Sn +mp-862755,PrCd3,-2.196284775,-0.3088910163,0.0,-0.0062282081,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Pr,4.0,A3B_cF16_225_ac_b:Cd-Pr +mp-571188,Pr3Sn,-5.0267820725,-0.4387097925,0.0150385554,0.0150385554,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Sn,4.0,A3B_cP4_221_c_a:Pr-Sn +mp-864924,NdMgHg2,-2.214770655,-0.4708236019,0.0,-0.1119531158,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Nd,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Nd +mp-22570,Mg5In2,-2.0018760429,-0.0726235129,0.0064871623,0.0064871623,GGA,Ibam,A2B5_oI28_72_j_afj:In-Mg,14.0,A2B5_oI28_72_j_afj:In-Mg +mp-1184184,Er3In,-4.3582716925,-0.2445616525,0.0125273938,0.0125273938,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-In,8.0,A3B_hP8_194_h_c:Er-In +mp-1184156,Er3In,-4.367608235,-0.253898195,0.0031908513,0.0031908513,GGA,Pm-3m,A3B_cP4_221_c_a:Er-In,4.0,A3B_cP4_221_c_a:Er-In +mp-978283,Mg3In,-1.95161944,-0.06348847,0.0188957675,0.0036804935,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Mg,4.0,AB3_tI8_139_a_bd:In-Mg +mp-672314,Mg3In,-1.7457659012,0.1423650688,0.2247493062,0.2095340322,GGA,R-3m,AB3_hR48_166_2c_2h:In-Mg,16.0,"Invalid WP multiplicities - AB3_hR48_166_3c_6h:In-Mg, expected Mg6In to be Mg3In" +mp-697180,Mg3In,-1.9668316225,-0.0787006525,0.003683585,-0.011531689,GGA,R-3m,AB3_hR48_166_2c_2h:In-Mg,16.0,"Invalid WP multiplicities - AB3_hR48_166_2c_3h:In-Mg, expected Mg9In2 to be Mg3In" +mp-1180519,Mg3In,-1.6918265388,0.1963044312,0.2786886687,0.2634733947,GGA,R-3m,AB3_hR48_166_2c_2h:In-Mg,16.0,"Invalid WP multiplicities - AB3_hR48_166_2c_3h:In-Mg, expected Mg9In2 to be Mg3In" +mp-1222128,Mg3In,-1.91129307,-0.0231620999999999,0.0592221375,0.0440068635,GGA,R-3m,AB3_hR12_166_a_bc:In-Mg,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:In-Mg, expected Mg5In to be Mg3In" +mp-1079072,Mg3In,-1.9622937375,-0.0741627675,0.00822147,-0.006993804,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Mg,8.0,AB3_hP8_194_c_h:In-Mg +mp-569125,Mg3In,-1.9705152075,-0.0823842375,0.0,-0.015215274,GGA,Pm-3m,AB3_cP4_221_a_c:In-Mg,4.0,AB3_cP4_221_a_c:In-Mg +mp-1185903,MgIn2,-2.369573255,-0.0016907517,0.042501925,0.0377243017,GGA,Cm,A2B_mC12_8_4a_2a:In-Mg,6.0,A2B_mC12_8_4a_2a:In-Mg +mp-1185905,MgIn2,-2.3903630833,-0.02248058,0.0217120967,0.0169344733,GGA,C2/m,A2B_mC12_12_2i_i:In-Mg,6.0,A2B_mC12_12_2i_i:In-Mg +mp-1185912,MgIn2,-2.3918533833,-0.02397088,0.0202217967,0.0154441733,GGA,C2/m,A2B_mC12_12_2i_i:In-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:In-Mg, expected MgIn3 to be MgIn2" +mp-1185920,MgIn2,-2.3904595467,-0.0225770433,0.0216156333,0.01683801,GGA,C2/m,A2B_mC12_12_2i_i:In-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:In-Mg, expected MgIn3 to be MgIn2" +mp-1185934,MgIn2,-2.36344374,0.0044387633,0.04863144,0.0438538167,GGA,Amm2,A2B_oC12_38_a3b_2a:In-Mg,6.0,A2B_oC12_38_a3b_2a:In-Mg +mp-1185898,MgIn2,-2.3702547633,-0.00237226,0.0418204167,0.0370427933,GGA,Cmcm,A2B_oC12_63_g_c:In-Mg,6.0,A2B_oC12_63_g_c:In-Mg +mp-1185916,MgIn2,-2.3614119667,0.0064705367,0.0506632133,0.04588559,GGA,Cmcm,A2B_oC12_63_2c_c:In-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:In-Mg, expected MgIn4 to be MgIn2" +mp-1077016,MgIn2,-2.2438269083,0.124055595,0.1682482717,0.1634706483,GGA,Fd-3m,A2B_cF24_227_c_b:In-Mg,6.0,A2B_cF24_227_c_b:In-Mg +mp-1222037,MgIn2,-2.41207518,-0.0441926767,0.0,-0.0047776233,GGA,I4/mmm,A2B_tI6_139_e_a:In-Mg,3.0,A2B_tI6_139_e_a:In-Mg +mp-1185901,MgIn2,-2.389526425,-0.0216439217,0.022548755,0.0177711317,GGA,R32,A2B_hR18_155_ae_c:In-Mg,6.0,A2B_hR18_155_ae_c:In-Mg +mp-1185913,MgIn2,-2.3996373317,-0.0317548283,0.0124378483,0.007660225,GGA,P-6m2,A2B_hP6_187_adg_h:In-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:In-Mg, expected MgIn3 to be MgIn2" +mp-1185629,MgIn2,-2.39985715,-0.0319746467,0.01221803,0.0074404067,GGA,P-62m,A2B_hP6_189_ag_c:In-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_189_a2g_c:In-Mg, expected Mg2In7 to be MgIn2" +mp-1185798,Mg2In,-2.0038251183,-0.0197438417,0.0550020837,0.0550020837,GGA,Cmcm,AB2_oC12_63_c_2c:In-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:In-Mg, expected Mg4In to be Mg2In" +mp-31326,Mg2In,-2.0574050111,-0.0733237344,0.0014221909,0.0014221909,GGA,P-62m,AB2_hP9_189_ad_fg:In-Mg,9.0,AB2_hP9_189_ad_fg:In-Mg +mp-877,Er2In,-4.3051591783,-0.342785395,0.0,-0.0260012883,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Er-In,6.0,A2B_hP6_194_ac_d:Er-In +mp-1291,ErIn3,-3.58228327,-0.37659077,0.0,-0.0989531587,GGA,Pm-3m,AB3_cP4_221_a_c:Er-In,4.0,AB3_cP4_221_a_c:Er-In +mp-1106153,Er3In5,-3.8491533019,-0.4164564169,0.0,-0.0173673919,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Er-In,16.0,A3B5_oC32_63_ce_cfg:Er-In +mp-973320,MgIn3,-2.4834876125,-0.0196548025,0.013489705,0.013489705,GGA,Imm2,A3B_oI8_44_ac_b:In-Mg,4.0,A3B_oI8_44_ac_b:In-Mg +mp-20566,MgIn3,-2.477198015,-0.013365205,0.0197793025,0.0197793025,GGA,Pm-3m,A3B_cP4_221_c_a:In-Mg,4.0,A3B_cP4_221_c_a:In-Mg +mp-973308,MgIn3,-2.4873133525,-0.0234805425,0.009663965,0.009663965,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Mg,4.0,A3B_tI8_139_ad_b:In-Mg +mp-1185630,MgIn3,-2.4679731262,-0.0041403162,0.0290041912,0.0290041912,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Mg,8.0,A3B_hP8_194_h_c:In-Mg +mp-1185827,Mg5In,-1.8211966767,-0.0290160133,0.035430232,0.035430232,GGA,Cm,AB5_mC12_8_a_5a:In-Mg,6.0,AB5_mC12_8_a_5a:In-Mg +mp-1185830,Mg5In,-1.82264795,-0.0304672867,0.0339789586,0.0339789586,GGA,Amm2,AB5_oC12_38_a_2a3b:In-Mg,6.0,AB5_oC12_38_a_2a3b:In-Mg +mp-1185835,Mg5In,-1.8251667683,-0.032986105,0.0314601403,0.0314601403,GGA,R32,AB5_hR18_155_a_ce:In-Mg,6.0,AB5_hR18_155_a_ce:In-Mg +mp-1185817,Mg5In,-1.822808595,-0.0306279317,0.0338183136,0.0338183136,GGA,P-62m,AB5_hP6_189_a_cg:In-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2c3g:In-Mg, expected Mg13In to be Mg5In" +mp-1205779,ErMgIn,-3.3341947011,-0.3609671711,0.0,-0.0710165511,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-In-Mg,9.0,ABC_hP9_189_f_ad_g:Er-In-Mg +mp-1185594,Mg149In,-1.6379613748,-0.0300053003,0.0,-0.0278083873,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:In-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k4l5m16n8o:In-Mg, expected Mg303In to be Mg149In" +mp-1189039,Er5In3,-4.2349327175,-0.3482270625,0.0142588037,0.0142588037,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-In,16.0,A5B3_hP16_193_dg_g:Er-In +mp-1221957,MgIn,-2.23510447,-0.05912258,0.000346721,0.000346721,GGA,C2/m,AB_mC4_12_a_d:In-Mg,2.0,AB_mC4_12_a_c:In-Mg +mp-1185891,MgIn,-2.234716275,-0.058734385,0.000734916,0.000734916,GGA,Pmma,AB_oP4_51_e_f:In-Mg,4.0,AB_oP4_51_e_f:In-Mg +mp-1185918,MgIn5,-2.530694815,0.0290883017,0.05118464,0.05118464,GGA,Cm,A5B_mC12_8_5a_a:In-Mg,6.0,A5B_mC12_8_5a_a:In-Mg +mp-983609,MgIn5,-2.5233387833,0.0364443333,0.0585406717,0.0585406717,GGA,Amm2,A5B_oC12_38_2a3b_a:In-Mg,6.0,A5B_oC12_38_2a3b_a:In-Mg +mp-973372,MgIn5,-2.5602277833,-0.0004446667,0.0216516717,0.0216516717,GGA,P-6m2,A5B_hP6_187_agh_d:In-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:In-Mg, expected MgIn9 to be MgIn5" +mp-1185922,MgIn5,-2.5286383383,0.0311447783,0.0532411167,0.0532411167,GGA,P-62m,A5B_hP6_189_cg_a:In-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:In-Mg, expected MgIn7 to be MgIn5" +mp-11370,ErIn,-4.08128855,-0.42158728,0.0,-0.0367041582,GGA,Pm-3m,AB_cP2_221_a_b:Er-In,2.0,AB_cP2_221_a_b:Er-In +mp-863702,Er2MgIn,-3.66863762,-0.29678727,0.0,-0.016142669,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-In-Mg,4.0,A2BC_cF16_225_c_a_b:Er-In-Mg +mp-1186091,Na3Zn,-1.230601455,0.0762284176,0.0906847053,0.0906847053,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Zn,4.0,A3B_tI8_139_ad_b:Na-Zn +mp-1186099,Na3Zn,-1.2397706062,0.0670592663,0.0815155541,0.0815155541,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Zn,8.0,A3B_hP8_194_h_c:Na-Zn +mp-1186094,Na3Zn,-1.2293803825,0.0774494901,0.0919057778,0.0919057778,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Zn,4.0,A3B_cP4_221_c_a:Na-Zn +mp-1186211,NaZn3,-1.2043440225,0.0710950084,0.1144638715,0.1144638715,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Zn,8.0,AB3_hP8_194_c_h:Na-Zn +mp-950,NaZn13,-1.3179227989,-0.053694783,0.0,-0.053694783,GGA,Fm-3c,AB13_cF112_226_a_bi:Na-Zn,28.0,AB13_cF112_226_a_bi:Na-Zn +mp-7956,Na3Sb,-2.5003914575,-0.4762471774,0.0,-0.2668084342,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Na-Sb,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:Na-Sb, expected Na5Sb to be Na3Sb" +mp-1206835,Na2ZnSb2,-1.65333448,0.7792248554000001,1.1673178203,1.1673178203,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Na-Sb-Zn,5.0,A2B2C_tP5_123_g_g_a:Na-Sb-Zn +mp-7944,NaSb,-3.1446407531,-0.4188774864,0.0,-0.1013793681,GGA,P2_1/c,AB_mP16_14_2e_2e:Na-Sb,16.0,AB_mP16_14_2e_2e:Na-Sb +mp-4247,NaZnSb,-2.6046599983,-0.3675699505,0.0,-0.0844619885,GGA,P4/nmm,ABC_tP6_129_c_c_a:Na-Sb-Zn,6.0,ABC_tP6_129_c_c_a:Na-Sb-Zn +mp-1022458,Mg6ZrCd,-2.3641662163,0.01986762,0.0781584613,0.0781584613,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Zr, expected Mg12ZrCd to be Mg6ZrCd" +mp-1022467,Mg6ZrCd,-2.3670141113,0.017019725,0.0753105663,0.0753105663,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Zr, expected Mg12ZrCd to be Mg6ZrCd" +mp-1096616,MgZrCd2,-1.190710125,1.807729925,1.9132279725,1.9132279725,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Mg-Zr,4.0,A2BC_oI8_71_e_a_b:Cd-Mg-Zr +mp-1027840,Mg14ZrCd,-1.9916221844,0.0005347588,0.0434869711,0.0434869711,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Zr, expected Mg18ZrCd to be Mg14ZrCd" +mp-1027841,Mg14ZrCd,-1.99406987,-0.0019129269,0.0410392854,0.0410392854,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Zr, expected Mg26ZrCd to be Mg14ZrCd" +mp-1096598,LiTi2Ir,-4.079475515,2.555109755,3.0576563404,3.0576563404,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Li-Ti,4.0,ABC2_oI8_71_a_b_e:Ir-Li-Ti +mp-1185428,LiTi2Ir,-7.131092955,-0.496507685,0.0060389004,0.0060389004,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Ti +mp-864930,LiTiIr2,-7.530547945,-0.6602271342,0.0,-0.0793611358,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Ti,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Ti +mp-1198296,Al12Ru,-4.2157311644,-0.0448609721,0.132495604,0.132495604,GGA,P-43m,A12B_cP52_215_3efg2i_e:Al-Ru,52.0,A12B_cP52_215_3efg2i_e:Al-Ru +mp-16529,Al6Ru,-4.8647847157,-0.3293764986,0.0,-0.0035722724,GGA,Cmcm,A6B_oC28_63_efg_c:Al-Ru,14.0,A6B_oC28_63_efg_c:Al-Ru +mp-17880,Al13Ru4,-5.5830949578,-0.5366187255,0.0,-0.0182400693,GGA,C2/m,A13B4_mC102_12_ah8i5j_4ij:Al-Ru,51.0,A13B4_mC102_12_ah8i5j_4ij:Al-Ru +mp-1185702,Mg16Al12Ru,-2.7843273269,-0.0317137648,0.0700226554,0.0700226554,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Ru,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Ru, expected Mg49Al39Ru to be Mg16Al12Ru" +mp-542569,AlRu,-7.183460135,-0.67347095,0.0,-0.082504975,GGA,Pm-3m,AB_cP2_221_a_b:Al-Ru,2.0,AB_cP2_221_a_b:Al-Ru +mp-10910,Al2Ru,-6.3073535567,-0.71883549,0.0,-0.079514119,GGA,Fddd,A2B_oF24_70_e_a:Al-Ru,6.0,A2B_oF24_70_e_a:Al-Ru +mp-1009834,Al2Ru,-6.2749139833,-0.6863959167,0.0324395733,-0.0470745456,GGA,I4/mmm,A2B_tI6_139_e_a:Al-Ru,3.0,A2B_tI6_139_e_a:Al-Ru +mp-1070580,Al3Ru2,-6.666265684,-0.7091591700000001,0.0,-0.008469496,GGA,I4/mmm,A3B2_tI10_139_ae_e:Al-Ru,5.0,A3B2_tI10_139_ae_e:Al-Ru +mp-1069983,Al3Ru2,-6.423839664,-0.46673315,0.24242602,0.233956524,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Ru,5.0,A3B2_hP5_164_ad_d:Al-Ru +mp-1188814,Al3Ru,-5.5147224888,-0.3869399813,0.1770112589,0.1770112589,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Al-Ru,16.0,A3B_hP16_194_gh_ac:Al-Ru +mp-1074088,Mg4Si7,-3.8199681209,0.2144270073,0.2846408655,0.2846408655,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074094,Mg4Si7,-3.8620730714,0.1723220568,0.242535915,0.242535915,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074122,Mg4Si7,-3.8601430782,0.17425205,0.2444659082,0.2444659082,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074145,Mg4Si7,-3.8847707459,0.1496243823,0.2198382405,0.2198382405,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074146,Mg4Si7,-3.8662621418,0.1681329864,0.2383468445,0.2383468445,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074131,Mg4Si7,-3.84348646,0.1909086682,0.2611225264,0.2611225264,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074143,Mg4Si7,-3.88058391,0.1538112182,0.2240250764,0.2240250764,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074178,Mg4Si7,-3.8808111923,0.1535839359,0.2237977941,0.2237977941,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074135,Mg4Si7,-3.8741165223,0.1602786059,0.2304924641,0.2304924641,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074147,Mg4Si7,-3.8741304914,0.1602646368,0.230478495,0.230478495,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074181,Mg4Si7,-3.8716472332,0.162747895,0.2329617532,0.2329617532,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074194,Mg4Si7,-3.8882420377,0.1461530905,0.2163669486,0.2163669486,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074189,Mg4Si7,-3.8845247618,0.1498703664,0.2200842245,0.2200842245,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074209,Mg4Si7,-3.8689923032,0.165402825,0.2356166832,0.2356166832,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074218,Mg4Si7,-3.8501102932,0.184284835,0.2544986932,0.2544986932,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074213,Mg4Si7,-3.8189750355,0.2154200927,0.2856339509,0.2856339509,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074199,Mg4Si7,-3.8559918664,0.1784032618,0.24861712,0.24861712,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074207,Mg4Si7,-3.8786060105,0.1557891177,0.2260029759,0.2260029759,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074265,Mg4Si7,-3.842683715,0.1917114132,0.2619252714,0.2619252714,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1100446,Mg4Si7,-3.8625988068,0.1717963214,0.2420101795,0.2420101795,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1100447,Mg4Si7,-3.8589315441,0.1754635841,0.2456774423,0.2456774423,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1250310,Mg4Si7,-3.8117125545,0.2226825736,0.2928964318,0.2928964318,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1344756,Mg4Si7,-3.5239013741000003,0.5104937541,0.5807076123,0.5807076123,GGA,P1,A4B7_aP22_1_8a_14a:Mg-Si,22.0,A4B7_aP22_1_8a_14a:Mg-Si +mp-1074123,Mg4Si7,-3.8626399627,0.1717551655,0.2419690236,0.2419690236,GGA,P-1,A4B7_aP22_2_be3i_7i:Mg-Si,22.0,A4B7_aP22_2_be3i_7i:Mg-Si +mp-1074228,Mg4Si7,-3.8739834509,0.1604116773,0.2306255355,0.2306255355,GGA,P-1,A4B7_aP22_2_ab3i_7i:Mg-Si,22.0,A4B7_aP22_2_ab3i_7i:Mg-Si +mp-1074080,Mg4Si7,-3.8575632018,0.1768319264,0.2470457845,0.2470457845,GGA,Pm,A4B7_mP22_6_3a5b_9a5b:Mg-Si,22.0,A4B7_mP22_6_3a5b_9a5b:Mg-Si +mp-1074108,Mg4Si7,-3.8605564959,0.1738386323,0.2440524905,0.2440524905,GGA,Pm,A4B7_mP22_6_3a5b_9a5b:Mg-Si,22.0,A4B7_mP22_6_3a5b_9a5b:Mg-Si +mp-1074110,Mg4Si7,-3.8655596582,0.16883547,0.2390493282,0.2390493282,GGA,Pm,A4B7_mP22_6_3a5b_9a5b:Mg-Si,22.0,A4B7_mP22_6_3a5b_9a5b:Mg-Si +mp-1074106,Mg4Si7,-3.85885365,0.1755414782,0.2457553364,0.2457553364,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1074141,Mg4Si7,-3.8695188218,0.1648763064,0.2350901645,0.2350901645,GGA,Pm,A4B7_mP22_6_3a5b_9a5b:Mg-Si,22.0,A4B7_mP22_6_3a5b_9a5b:Mg-Si +mp-1074174,Mg4Si7,-3.8812899073,0.1531052209,0.2233190791,0.2233190791,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1074175,Mg4Si7,-3.8657558005,0.1686393277,0.2388531859,0.2388531859,GGA,Pm,A4B7_mP22_6_4a4b_7a7b:Mg-Si,22.0,A4B7_mP22_6_4a4b_7a7b:Mg-Si +mp-1074193,Mg4Si7,-3.8563084105,0.1780867177,0.2483005759,0.2483005759,GGA,Pm,A4B7_mP22_6_4a4b_6a8b:Mg-Si,22.0,A4B7_mP22_6_4a4b_6a8b:Mg-Si +mp-1074201,Mg4Si7,-3.8180996555,0.2162954727,0.2865093309,0.2865093309,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1074195,Mg4Si7,-3.8370100955,0.1973850327,0.2675988909,0.2675988909,GGA,Pm,A4B7_mP22_6_3a5b_9a5b:Mg-Si,22.0,A4B7_mP22_6_3a5b_9a5b:Mg-Si +mp-1074233,Mg4Si7,-3.8593802973,0.1750148309,0.2452286891,0.2452286891,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1258448,Mg4Si7,-3.85375633,0.1806387982,0.2508526564,0.2508526564,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1255862,Mg4Si7,-3.8778708295,0.1565242986,0.2267381568,0.2267381568,GGA,Pm,A4B7_mP22_6_3a5b_8a6b:Mg-Si,22.0,A4B7_mP22_6_3a5b_8a6b:Mg-Si +mp-1074144,Mg4Si7,-3.7709956641,0.2633994641,0.3336133223,0.3336133223,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1074148,Mg4Si7,-3.8422252655,0.1921698627,0.2623837209,0.2623837209,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1074192,Mg4Si7,-3.8598418395,0.1745532886,0.2447671468,0.2447671468,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1074240,Mg4Si7,-3.7713195364,0.2630755918,0.33328945,0.33328945,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1074203,Mg4Si7,-3.8848332964,0.1495618318,0.21977569,0.21977569,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1100444,Mg4Si7,-3.8728505191,0.1615446091,0.2317584673,0.2317584673,GGA,Cm,A4B7_mC44_8_8a_14a:Mg-Si,22.0,A4B7_mC44_8_8a_14a:Mg-Si +mp-1074149,Mg4Si7,-3.8637898764,0.1706052518,0.24081911,0.24081911,GGA,C2/m,A4B7_mC22_12_2i_a3i:Mg-Si,11.0,A4B7_mC22_12_2i_a3i:Mg-Si +mp-1074792,Mg7Si4,-2.9193019173,0.0719010345,0.1947752864,0.1947752864,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074799,Mg7Si4,-2.9023247132,0.0888782386,0.2117524905,0.2117524905,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074803,Mg7Si4,-2.9246077095,0.0665952423,0.1894694941,0.1894694941,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074798,Mg7Si4,-2.8903918036,0.1008111482,0.2236853999999999,0.2236853999999999,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074815,Mg7Si4,-2.8168858777,0.1743170741,0.2971913259,0.2971913259,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074820,Mg7Si4,-2.9081368095,0.0830661423,0.2059403941,0.2059403941,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074841,Mg7Si4,-2.8927889123,0.0984140395,0.2212882914,0.2212882914,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074843,Mg7Si4,-2.9225492514,0.0686537005,0.1915279523,0.1915279523,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074858,Mg7Si4,-2.8888941427,0.1023088091,0.2251830609,0.2251830609,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074863,Mg7Si4,-2.8613432309,0.1298597209,0.2527339727,0.2527339727,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074830,Mg7Si4,-2.9212278391,0.0699751127,0.1928493645,0.1928493645,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074849,Mg7Si4,-2.9406948027,0.0505081491,0.1733824009,0.1733824009,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074846,Mg7Si4,-2.8547406132,0.1364623386,0.2593365905,0.2593365905,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074832,Mg7Si4,-2.8873199055,0.1038830464,0.2267572982,0.2267572982,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074833,Mg7Si4,-2.9213130168,0.069889935,0.1927641868,0.1927641868,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074916,Mg7Si4,-2.9220118032,0.0691911486,0.1920654005,0.1920654005,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074855,Mg7Si4,-2.9023178909,0.0888850609,0.2117593127,0.2117593127,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074835,Mg7Si4,-2.9410218959,0.0501810559,0.1730553077,0.1730553077,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074930,Mg7Si4,-2.8893181909,0.1018847609,0.2247590127,0.2247590127,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074887,Mg7Si4,-2.847662955,0.1435399968,0.2664142486,0.2664142486,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074938,Mg7Si4,-2.8869337605,0.1042691914,0.2271434432,0.2271434432,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074923,Mg7Si4,-2.9268981691,0.0643047827,0.1871790345,0.1871790345,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074844,Mg7Si4,-2.8850424805,0.1061604714,0.2290347232,0.2290347232,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074927,Mg7Si4,-2.9026471027,0.0885558491,0.2114301009,0.2114301009,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074917,Mg7Si4,-2.8830189755,0.1081839764,0.2310582282,0.2310582282,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074925,Mg7Si4,-2.8919915345,0.0992114173,0.2220856691,0.2220856691,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074856,Mg7Si4,-2.9133890477,0.0778139041,0.2006881559,0.2006881559,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1326565,Mg7Si4,-2.6705327064,0.3206702455,0.4435444973,0.4435444973,GGA,P1,A7B4_aP22_1_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1074891,Mg7Si4,-2.8683026355,0.1229003164,0.2457745682,0.2457745682,GGA,Pm,A7B4_mP22_6_6a8b_4a4b:Mg-Si,22.0,A7B4_mP22_6_6a8b_4a4b:Mg-Si +mp-1255599,Mg7Si4,-2.8895219545,0.1016809973,0.2245552491,0.2245552491,GGA,Cm,A7B4_mC44_8_14a_8a:Mg-Si,22.0,A7B4_aP22_1_14a_8a:Mg-Si +mp-1185634,Mg149Si,-1.6499072569000002,-0.0241269537,0.0,-0.0215524455,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Si,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Si, expected Mg309Si to be Mg149Si" +mp-1074934,Mg3Si4,-3.6444556243,0.1415604143,0.2243124614,0.2243124614,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1074932,Mg3Si4,-3.6475729514,0.1384430871,0.2211951343,0.2211951343,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1074957,Mg3Si4,-3.653717755,0.1322982836,0.2150503307,0.2150503307,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1074960,Mg3Si4,-3.6443572814,0.1416587571,0.2244108043,0.2244108043,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075012,Mg3Si4,-3.655806935,0.1302091036,0.2129611507,0.2129611507,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075016,Mg3Si4,-3.6339127857,0.1521032529,0.2348553,0.2348553,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075009,Mg3Si4,-3.652514325,0.1335017136,0.2162537607,0.2162537607,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075018,Mg3Si4,-3.6204054536,0.165610585,0.2483626321,0.2483626321,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075036,Mg3Si4,-3.6224700186,0.16354602,0.2462980671,0.2462980671,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075011,Mg3Si4,-3.6558993407,0.1301166979,0.212868745,0.212868745,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075030,Mg3Si4,-3.6274689943,0.1585470443,0.2412990914,0.2412990914,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075045,Mg3Si4,-3.6252846071,0.1607314314,0.2434834786,0.2434834786,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075013,Mg3Si4,-3.632314405,0.1537016336,0.2364536807,0.2364536807,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075001,Mg3Si4,-3.6538675779,0.1321484607,0.2149005079,0.2149005079,GGA,P1,A3B4_aP28_1_12a_16a:Mg-Si,28.0,A3B4_aP28_1_12a_16a:Mg-Si +mp-1075015,Mg3Si4,-3.638787965,0.1472280736,0.2299801207,0.2299801207,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075031,Mg3Si4,-3.630334565,0.1556814736,0.2384335207,0.2384335207,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075035,Mg3Si4,-3.675763195,0.1102528436,0.1930048907,0.1930048907,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075048,Mg3Si4,-3.56358561,0.2224304286,0.3051824757,0.3051824757,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075047,Mg3Si4,-3.5993982307,0.1866178079,0.269369855,0.269369855,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075025,Mg3Si4,-3.6215434857,0.1644725529,0.2472246,0.2472246,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075111,Mg3Si4,-3.5873226386,0.1986934,0.2814454471,0.2814454471,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075098,Mg3Si4,-3.6308283836,0.155187655,0.2379397021,0.2379397021,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075104,Mg3Si4,-3.6685355471,0.1174804914,0.2002325386,0.2002325386,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075115,Mg3Si4,-3.62690941,0.1591066286,0.2418586757,0.2418586757,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075100,Mg3Si4,-3.6411932857,0.1448227529,0.2275748,0.2275748,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075113,Mg3Si4,-3.6541720757,0.1318439629,0.21459601,0.21459601,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075137,Mg3Si4,-3.6562914821,0.1297245564,0.2124766036,0.2124766036,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075040,Mg3Si4,-3.61735709,0.1686589486,0.2514109957,0.2514109957,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075132,Mg3Si4,-3.5630326536,0.222983385,0.3057354321,0.3057354321,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075139,Mg3Si4,-3.6400210164,0.1459950221,0.2287470693,0.2287470693,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075157,Mg3Si4,-3.6559226243,0.1300934143,0.2128454614,0.2128454614,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075163,Mg3Si4,-3.5786522771,0.2073637614,0.2901158086,0.2901158086,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075196,Mg3Si4,-3.5585925021,0.2274235364,0.3101755836,0.3101755836,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075184,Mg3Si4,-3.6413990179,0.1446170207,0.2273690679,0.2273690679,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075168,Mg3Si4,-3.6249060021,0.1611100364,0.2438620836,0.2438620836,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075198,Mg3Si4,-3.5771559679,0.2088600707,0.2916121179,0.2916121179,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075203,Mg3Si4,-3.6432441557,0.1427718829,0.22552393,0.22552393,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075191,Mg3Si4,-3.6194378314,0.1665782071,0.2493302543,0.2493302543,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075217,Mg3Si4,-3.5456825457,0.2403334929,0.32308554,0.32308554,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075263,Mg3Si4,-3.644493805,0.1415222336,0.2242742807,0.2242742807,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075232,Mg3Si4,-3.6054728436,0.180543195,0.2632952421,0.2632952421,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075267,Mg3Si4,-3.6278349864,0.1581810521,0.2409330993,0.2409330993,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075269,Mg3Si4,-3.6405824893,0.1454335493,0.2281855964,0.2281855964,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075273,Mg3Si4,-3.6123182564,0.1736977821,0.2564498293,0.2564498293,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075302,Mg3Si4,-3.5911332429,0.1948827957,0.2776348429,0.2776348429,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075310,Mg3Si4,-3.5741787821,0.2118372564,0.2945893036,0.2945893036,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075335,Mg3Si4,-3.6615788021,0.1244372364,0.2071892836,0.2071892836,GGA,P1,A3B4_aP28_1_12a_16a:Mg-Si,28.0,A3B4_aP28_1_12a_16a:Mg-Si +mp-1075311,Mg3Si4,-3.6766959329,0.1093201057,0.1920721529,0.1920721529,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075337,Mg3Si4,-3.6139902721,0.1720257664,0.2547778136,0.2547778136,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075341,Mg3Si4,-3.6240169193,0.1619991193,0.2447511664,0.2447511664,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075240,Mg3Si4,-3.6266121107,0.1594039279,0.242155975,0.242155975,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075355,Mg3Si4,-3.6519372736,0.134078765,0.2168308121,0.2168308121,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075253,Mg3Si4,-3.6265964475,0.1594195911,0.2421716382,0.2421716382,GGA,P1,A3B4_aP28_1_12a_16a:Mg-Si,28.0,A3B4_aP28_1_12a_16a:Mg-Si +mp-1075371,Mg3Si4,-3.6091511236,0.176864915,0.2596169621,0.2596169621,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075392,Mg3Si4,-3.5587521207,0.2272639179,0.310015965,0.310015965,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075456,Mg3Si4,-3.544879085,0.2411369536,0.3238890007,0.3238890007,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1075482,Mg3Si4,-3.5911407164,0.1948753221,0.2776273693,0.2776273693,GGA,P1,A3B4_aP28_1_12a_16a:Mg-Si,28.0,A3B4_aP28_1_12a_16a:Mg-Si +mp-1100448,Mg3Si4,-3.6284896964,0.1575263421,0.2402783893,0.2402783893,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1244647,Mg3Si4,-3.5801924129,0.2058236257,0.2885756729,0.2885756729,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1399135,Mg3Si4,-1.8603445521,1.9256714864,2.0084235336,2.0084235336,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1403490,Mg3Si4,-2.3370069514000003,1.4490090871,1.5317611343,1.5317611343,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1403979,Mg3Si4,-1.2678713229,2.5181447157,2.6008967629,2.6008967629,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1406221,Mg3Si4,-1.5337855986,2.25223044,2.3349824871,2.3349824871,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1399879,Mg3Si4,-1.4353162286,2.35069981,2.4334518571,2.4334518571,GGA,P1,A3B4_aP14_1_6a_8a:Mg-Si,14.0,A3B4_aP14_1_6a_8a:Mg-Si +mp-1074955,Mg3Si4,-3.6536874186,0.13232862,0.2150806671,0.2150806671,GGA,P-1,A3B4_aP14_2_3i_4i:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_aP14_2_4i_8i:Mg-Si, expected MgSi2 to be Mg3Si4" +mp-1075131,Mg3Si4,-3.6011729236,0.184843115,0.2675951621,0.2675951621,GGA,P-1,A3B4_aP14_2_3i_4i:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_aP14_2_4i_8i:Mg-Si, expected MgSi2 to be Mg3Si4" +mp-1074924,Mg3Si4,-3.6352453529,0.1507706857,0.2335227329,0.2335227329,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1074998,Mg3Si4,-3.6453165807,0.1406994579,0.223451505,0.223451505,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1074941,Mg3Si4,-3.6464157579,0.1396002807,0.2223523279,0.2223523279,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1075091,Mg3Si4,-3.6757663086,0.11024973,0.1930017771,0.1930017771,GGA,Pm,A3B4_mP14_6_3a3b_4a4b:Mg-Si,14.0,A3B4_mP14_6_3a3b_4a4b:Mg-Si +mp-1075194,Mg3Si4,-3.613695265,0.1723207736,0.2550728207,0.2550728207,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1075277,Mg3Si4,-3.6543195971,0.1316964414,0.2144484886,0.2144484886,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1075286,Mg3Si4,-3.6284830457,0.1575329929,0.24028504,0.24028504,GGA,Pm,A3B4_mP14_6_5ab_2a6b:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_mP14_10_bc3m_2m6n:Mg-Si, expected MgSi2 to be Mg3Si4" +mp-1075351,Mg3Si4,-3.5740220586,0.21199398,0.2947460271,0.2947460271,GGA,Pm,A3B4_mP14_6_2a4b_5a3b:Mg-Si,14.0,A3B4_mP14_6_2a4b_5a3b:Mg-Si +mp-1074947,Mg3Si4,-3.6292292279,0.1567868107,0.2395388579,0.2395388579,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075010,Mg3Si4,-3.6550708214,0.1309452171,0.2136972643,0.2136972643,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075060,Mg3Si4,-3.671044285,0.1149717536,0.1977238007,0.1977238007,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075102,Mg3Si4,-3.58744372,0.1985723186,0.2813243657,0.2813243657,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075120,Mg3Si4,-3.6348021979,0.1512138407,0.2339658879,0.2339658879,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075127,Mg3Si4,-3.516449705,0.2695663336,0.3523183807,0.3523183807,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_oC28_38_2a2bc_ab4c:Mg-Si, expected Mg3Si5 to be Mg3Si4" +mp-1075152,Mg3Si4,-3.6924209557,0.0935950829,0.17634713,0.17634713,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075190,Mg3Si4,-3.6470465971,0.1389694414,0.2217214886,0.2217214886,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075282,Mg3Si4,-3.61742253,0.1685935086,0.2513455557,0.2513455557,GGA,Cm,A3B4_mC28_8_6a_8a:Mg-Si,14.0,A3B4_mC28_8_6a_8a:Mg-Si +mp-1075211,Mg3Si4,-3.6045443671,0.1814716714,0.2642237186,0.2642237186,GGA,P2/m,A3B4_mP14_10_bc2m_m3n:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_mP14_10_bc3m_2m6n:Mg-Si, expected MgSi2 to be Mg3Si4" +mp-1075020,Mg3Si4,-3.61388,0.1721360386,0.2548880857,0.2548880857,GGA,P2_1/m,A3B4_mP14_11_3e_4e:Mg-Si,14.0,"Invalid WP multiplicities - A3B4_mP14_11_4e_8e:Mg-Si, expected MgSi2 to be Mg3Si4" +mp-1074003,Mg9Si5,-2.9802215207,-0.0138564779,0.1102715929,0.1102715929,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074008,Mg9Si5,-2.9697128971,-0.0033478543,0.1207802164,0.1207802164,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074009,Mg9Si5,-2.9316896861,0.0346753568,0.1588034275,0.1588034275,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074028,Mg9Si5,-2.9515839121000003,0.0147811307,0.1389092014,0.1389092014,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074026,Mg9Si5,-2.8979132164,0.0684518264,0.1925798971,0.1925798971,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074023,Mg9Si5,-2.9415314425,0.0248336004,0.1489616711,0.1489616711,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074041,Mg9Si5,-2.9285914679,0.037773575,0.1619016457,0.1619016457,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074044,Mg9Si5,-2.9445675918000003,0.0217974511,0.1459255218,0.1459255218,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074046,Mg9Si5,-2.9652734904,0.0010915525,0.1252196232,0.1252196232,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074057,Mg9Si5,-2.9816488996,-0.0152838568,0.1088442139,0.1088442139,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074064,Mg9Si5,-2.8851158404,0.0812492025,0.2053772732,0.2053772732,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074050,Mg9Si5,-2.8973921671,0.0689728757,0.1931009464,0.1931009464,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074061,Mg9Si5,-2.969033045,-0.0026680021,0.1214600686,0.1214600686,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074063,Mg9Si5,-2.9122037468,0.0541612961,0.1782893668,0.1782893668,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074069,Mg9Si5,-2.9373812943,0.0289837486,0.1531118193,0.1531118193,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074066,Mg9Si5,-2.9554785279,0.010886515,0.1350145857,0.1350145857,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074062,Mg9Si5,-2.9201723893,0.0461926536,0.1703207243,0.1703207243,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074093,Mg9Si5,-2.9356087786,0.0307562643,0.154884335,0.154884335,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-1074095,Mg9Si5,-2.8955951236,0.0707699193,0.19489799,0.19489799,GGA,P1,A9B5_aP28_1_18a_10a:Mg-Si,28.0,A9B5_aP28_1_18a_10a:Mg-Si +mp-542854,Mg9Si5,-3.0494978718,-0.0831328289,0.0409952418,0.0409952418,GGA,P6_3/m,A9B5_hP28_176_hi_cef:Mg-Si,28.0,A9B5_hP28_176_hi_cef:Mg-Si +mp-1100712,Mg9Si5,-3.0428878754,-0.0765228325,0.0476052382,0.0476052382,GGA,R32,A9B5_hR84_155_de2f_5c:Mg-Si,28.0,"Invalid WP multiplicities - A9B5_hR84_155_3d3e12f_10c:Mg-Si, expected Mg9Si2 to be Mg9Si5" +mp-1074039,Mg9Si5,-3.03494279,-0.0685777471,0.0555503236,0.0555503236,GGA,R-3c,A9B5_hR84_167_ef_b2c:Mg-Si,28.0,"Invalid WP multiplicities - A9B5_hR84_167_6e7f_2b7c:Mg-Si, expected Mg15Si4 to be Mg9Si5" +mp-865464,PmSi3,-5.48661819,-0.2299940869,0.0,-0.1510311925,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Si,8.0,AB3_hP8_194_c_h:Pm-Si +mp-1075600,Mg5Si9,-3.900873755,0.1583592821,0.2273193214,0.2273193214,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075592,Mg5Si9,-3.8691668321,0.190066205,0.2590262443,0.2590262443,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075608,Mg5Si9,-3.8857027575,0.1735302796,0.2424903189,0.2424903189,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075609,Mg5Si9,-3.8292414996,0.2299915375,0.2989515768,0.2989515768,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075610,Mg5Si9,-3.8226778157,0.2365552214,0.3055152607,0.3055152607,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075612,Mg5Si9,-3.8615506446,0.1976823925,0.2666424318,0.2666424318,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075684,Mg5Si9,-3.8368377968,0.2223952404,0.2913552796,0.2913552796,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075674,Mg5Si9,-3.8966520493,0.1625809879,0.2315410271,0.2315410271,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075616,Mg5Si9,-3.8234154332,0.2358176039,0.3047776432,0.3047776432,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075617,Mg5Si9,-3.8393759968,0.2198570404,0.2888170796,0.2888170796,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075664,Mg5Si9,-3.9081626889,0.1510703482,0.2200303875,0.2200303875,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075715,Mg5Si9,-3.8984221921,0.160810845,0.2297708843,0.2297708843,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075620,Mg5Si9,-3.8549469007,0.2042861364,0.2732461757,0.2732461757,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075717,Mg5Si9,-3.8613266414,0.1979063957,0.266866435,0.266866435,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075693,Mg5Si9,-3.8490494436,0.2101835936,0.2791436329,0.2791436329,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075719,Mg5Si9,-3.8681326018,0.1911004354,0.2600604746,0.2600604746,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075720,Mg5Si9,-3.8340940089,0.2251390282,0.2940990675,0.2940990675,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075622,Mg5Si9,-3.8756795093,0.1835535279,0.2525135671,0.2525135671,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075723,Mg5Si9,-3.8301136214,0.2291194157,0.298079455,0.298079455,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075724,Mg5Si9,-3.8750972136,0.1841358236,0.2530958629,0.2530958629,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075725,Mg5Si9,-3.8585358289,0.2006972082,0.2696572475,0.2696572475,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075627,Mg5Si9,-3.9011597257,0.1580733114,0.2270333507,0.2270333507,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075666,Mg5Si9,-3.8518878439,0.2073451932,0.2763052325,0.2763052325,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075635,Mg5Si9,-3.8427678539,0.2164651832,0.2854252225,0.2854252225,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075731,Mg5Si9,-3.8746218721,0.184611165,0.2535712043,0.2535712043,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075734,Mg5Si9,-3.8240711857,0.2351618514,0.3041218907,0.3041218907,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075638,Mg5Si9,-3.8553319204,0.2039011168,0.2728611561,0.2728611561,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075640,Mg5Si9,-3.8307232454,0.2285097918,0.2974698311,0.2974698311,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075741,Mg5Si9,-3.89335649,0.1658765471,0.2348365864,0.2348365864,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075644,Mg5Si9,-3.8623076364,0.1969254007,0.26588544,0.26588544,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075742,Mg5Si9,-3.8413810279,0.2178520093,0.2868120486,0.2868120486,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075645,Mg5Si9,-3.8601405789,0.1990924582,0.2680524975,0.2680524975,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075744,Mg5Si9,-3.8268682404,0.2323647968,0.3013248361,0.3013248361,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075649,Mg5Si9,-3.9074596939,0.1517733432,0.2207333825,0.2207333825,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075651,Mg5Si9,-3.8359433204,0.2232897168,0.2922497561,0.2922497561,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075655,Mg5Si9,-3.8403085218,0.2189245154,0.2878845546,0.2878845546,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075658,Mg5Si9,-3.8966897936,0.1625432436,0.2315032829,0.2315032829,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075761,Mg5Si9,-3.8971528668,0.1620801704,0.2310402096,0.2310402096,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075660,Mg5Si9,-3.8509682396,0.2082647975,0.2772248368,0.2772248368,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075766,Mg5Si9,-3.8420831182,0.2171499189,0.2861099582,0.2861099582,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1075779,Mg5Si9,-3.8267968761,0.2324361611,0.3013962004,0.3013962004,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1341154,Mg5Si9,-3.3764021311,0.6828309061000001,0.7517909454,0.7517909454,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1347342,Mg5Si9,-3.3668531764000003,0.6923798607,0.7613399,0.7613399,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1378759,Mg5Si9,-3.1205388757,0.9386941614,1.0076542007,1.0076542007,GGA,P1,A5B9_aP28_1_10a_18a:Mg-Si,28.0,A5B9_aP28_1_10a_18a:Mg-Si +mp-1074264,Mg4Si3,-3.1873555957,0.0522264457,0.1625625086,0.1625625086,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074272,Mg4Si3,-3.181671945,0.0579100964,0.1682461593,0.1682461593,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074263,Mg4Si3,-3.1348112932,0.1047707482,0.2151068111,0.2151068111,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074276,Mg4Si3,-3.2022454107,0.0373366307,0.1476726936,0.1476726936,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074279,Mg4Si3,-3.1620415529,0.0775404886,0.1878765514,0.1878765514,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074283,Mg4Si3,-3.166412795,0.0731692464,0.1835053093,0.1835053093,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074291,Mg4Si3,-3.0931233393,0.1464587021,0.256794765,0.256794765,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074288,Mg4Si3,-3.2037298579,0.0358521836,0.1461882464,0.1461882464,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074292,Mg4Si3,-3.1968378407,0.0427442007,0.1530802636,0.1530802636,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074278,Mg4Si3,-3.1411356525,0.0984463889,0.2087824518,0.2087824518,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074327,Mg4Si3,-3.1205054707,0.1190765707,0.2294126336,0.2294126336,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074344,Mg4Si3,-3.1410957896,0.0984862518,0.2088223146,0.2088223146,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074338,Mg4Si3,-3.1758232907,0.0637587507,0.1740948136,0.1740948136,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074320,Mg4Si3,-3.177753785,0.0618282564,0.1721643193,0.1721643193,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074346,Mg4Si3,-3.1868414564,0.052740585,0.1630766479,0.1630766479,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074356,Mg4Si3,-3.2341003507,0.0054816907,0.1158177536,0.1158177536,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074347,Mg4Si3,-3.1387874046,0.1007946368,0.2111306996,0.2111306996,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074350,Mg4Si3,-3.1294846379,0.1100974036,0.2204334664,0.2204334664,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074345,Mg4Si3,-3.1260333,0.1135487414,0.2238848043,0.2238848043,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074382,Mg4Si3,-3.2025492179,0.0370328236,0.1473688864,0.1473688864,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074349,Mg4Si3,-3.1356994607,0.1038825807,0.2142186436,0.2142186436,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074396,Mg4Si3,-3.0456024071,0.1939796343,0.3043156971,0.3043156971,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074386,Mg4Si3,-3.1443166007,0.0952654407,0.2056015036,0.2056015036,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074388,Mg4Si3,-3.1243787729,0.1152032686,0.2255393314,0.2255393314,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074380,Mg4Si3,-3.0842688,0.1553132414,0.2656493043,0.2656493043,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074404,Mg4Si3,-3.2063049864,0.033277055,0.1436131179,0.1436131179,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074408,Mg4Si3,-3.1846177221,0.0549643193,0.1653003821,0.1653003821,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074429,Mg4Si3,-3.1292448336,0.1103372079,0.2206732707,0.2206732707,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074433,Mg4Si3,-3.1639157557,0.0756662857,0.1860023486,0.1860023486,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074413,Mg4Si3,-3.0880805386,0.1515015029,0.2618375657,0.2618375657,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074417,Mg4Si3,-3.1919570757,0.0476249657,0.1579610286,0.1579610286,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074489,Mg4Si3,-3.1885098043,0.0510722371,0.1614083,0.1614083,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074500,Mg4Si3,-3.1746403293,0.0649417121,0.175277775,0.175277775,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074518,Mg4Si3,-3.1640924786,0.0754895629,0.1858256257,0.1858256257,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074458,Mg4Si3,-3.1556063386,0.0839757029,0.1943117657,0.1943117657,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074517,Mg4Si3,-3.1808120436,0.0587699979,0.1691060607,0.1691060607,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074465,Mg4Si3,-3.1622215071,0.0773605343,0.1876965971,0.1876965971,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074526,Mg4Si3,-3.172769435,0.0668126064,0.1771486693,0.1771486693,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074455,Mg4Si3,-3.1542563914,0.08532565,0.1956617129,0.1956617129,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074545,Mg4Si3,-3.1562519793,0.0833300621,0.193666125,0.193666125,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074553,Mg4Si3,-3.1240344246,0.1155476168,0.2258836796,0.2258836796,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074466,Mg4Si3,-3.1895933443,0.0499886971,0.16032476,0.16032476,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074468,Mg4Si3,-3.1466047329,0.0929773086,0.2033133714,0.2033133714,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074472,Mg4Si3,-3.1605898707,0.0789921707,0.1893282336,0.1893282336,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074528,Mg4Si3,-3.1632213489,0.0763606925,0.1866967554,0.1866967554,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074519,Mg4Si3,-3.1484920261,0.0910900154,0.2014260782,0.2014260782,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074562,Mg4Si3,-3.2049493614,0.03463268,0.1449687429,0.1449687429,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074542,Mg4Si3,-3.1630497743,0.0765322671,0.18686833,0.18686833,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074587,Mg4Si3,-3.1208093429,0.1187726986,0.2291087614,0.2291087614,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074597,Mg4Si3,-3.1518388971,0.0877431443,0.1980792071,0.1980792071,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074611,Mg4Si3,-3.1405839943,0.0989980471,0.20933411,0.20933411,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074673,Mg4Si3,-3.1445492318,0.0950328096,0.2053688725,0.2053688725,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074546,Mg4Si3,-3.1342765089,0.1053055325,0.2156415954,0.2156415954,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074588,Mg4Si3,-3.1344797171,0.1051023243,0.2154383871,0.2154383871,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1074639,Mg4Si3,-3.1658642343,0.0737178071,0.18405387,0.18405387,GGA,P1,A4B3_aP28_1_16a_12a:Mg-Si,28.0,A4B3_aP28_1_16a_12a:Mg-Si +mp-1100713,Mg4Si3,-3.1863731171,0.0532089243,0.1635449871,0.1635449871,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_mC28_5_7c_2a4c:Mg-Si, expected Mg7Si5 to be Mg4Si3" +mp-1237695,Mg4Si3,-3.0802407964,0.159341245,0.2696773079,0.2696773079,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1244644,Mg4Si3,-3.0969112636,0.1426707779,0.2530068407,0.2530068407,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1404518,Mg4Si3,-1.93414561,1.3054364314,1.4157724943,1.4157724943,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1400283,Mg4Si3,-1.3643140014,1.87526804,1.9856041029,1.9856041029,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1385353,Mg4Si3,-0.5110194650000001,2.7285625764,2.8388986393,2.8388986393,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1389247,Mg4Si3,-1.6736148014,1.56596724,1.6763033029,1.6763033029,GGA,P1,A4B3_aP14_1_8a_6a:Mg-Si,14.0,A4B3_aP14_1_8a_6a:Mg-Si +mp-1074307,Mg4Si3,-3.1393118843,0.1002701571,0.21060622,0.21060622,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_7i_4i:Mg-Si, expected Mg7Si4 to be Mg4Si3" +mp-1074333,Mg4Si3,-3.2185795607,0.0210024807,0.1313385436,0.1313385436,GGA,P-1,A4B3_aP14_2_ad3i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_ad4i_6i:Mg-Si, expected Mg5Si6 to be Mg4Si3" +mp-1074375,Mg4Si3,-3.2227842914,0.01679775,0.1271338129,0.1271338129,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_6i_6i:Mg-Si, expected MgSi to be Mg4Si3" +mp-1074412,Mg4Si3,-3.2014965136,0.0380855279,0.1484215907,0.1484215907,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_7i_4i:Mg-Si, expected Mg7Si4 to be Mg4Si3" +mp-1074467,Mg4Si3,-3.2359565743,0.0036254671,0.11396153,0.11396153,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_6i_6i:Mg-Si, expected MgSi to be Mg4Si3" +mp-1074475,Mg4Si3,-3.1246797843,0.1149022571,0.22523832,0.22523832,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_8i_5i:Mg-Si, expected Mg8Si5 to be Mg4Si3" +mp-1074549,Mg4Si3,-3.1224930971,0.1170889443,0.2274250071,0.2274250071,GGA,P-1,A4B3_aP14_2_4i_ac2i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_8i_ac4i:Mg-Si, expected Mg8Si5 to be Mg4Si3" +mp-1074538,Mg4Si3,-3.1822070129,0.0573750286,0.1677110914,0.1677110914,GGA,P-1,A4B3_aP7_2_2i_ai:Mg-Si,7.0,"Invalid WP multiplicities - A4B3_aP7_2_3i_ai:Mg-Si, expected Mg2Si to be Mg4Si3" +mp-1074483,Mg4Si3,-3.1279686986,0.1116133429,0.2219494057,0.2219494057,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_5i_5i:Mg-Si, expected MgSi to be Mg4Si3" +mp-1074480,Mg4Si3,-3.1304309921,0.1091510493,0.2194871121,0.2194871121,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_6i_6i:Mg-Si, expected MgSi to be Mg4Si3" +mp-1074573,Mg4Si3,-3.1401705779,0.0994114636,0.2097475264,0.2097475264,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_8i_5i:Mg-Si, expected Mg8Si5 to be Mg4Si3" +mp-1078478,Mg4Si3,-3.0795017643,0.1600802771,0.27041634,0.27041634,GGA,P-1,A4B3_aP7_2_2i_ai:Mg-Si,14.0,A4B3_aP7_2_4i_2a2i:Mg-Si +mp-1383748,Mg4Si3,-1.5684723186,1.6711097229,1.7814457857,1.7814457857,GGA,P-1,A4B3_aP14_2_4i_3i:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_aP14_2_5i_5i:Mg-Si, expected MgSi to be Mg4Si3" +mp-1074287,Mg4Si3,-3.1801652143,0.0594168271,0.16975289,0.16975289,GGA,C2,A4B3_mC28_5_4c_2a2c:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_mC28_5_7c_2a4c:Mg-Si, expected Mg7Si5 to be Mg4Si3" +mp-1074285,Mg4Si3,-3.1771464907,0.0624355507,0.1727716136,0.1727716136,GGA,Cm,A4B3_mC28_8_2a3b_2a2b:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_mC28_8_2a5b_2a2b:Mg-Si, expected Mg2Si to be Mg4Si3" +mp-1074331,Mg4Si3,-3.186069885,0.0535121564,0.1638482193,0.1638482193,GGA,Cm,A4B3_mC28_8_2a3b_2a2b:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_mC28_8_2a5b_2a2b:Mg-Si, expected Mg2Si to be Mg4Si3" +mp-1237483,Mg4Si3,-2.6920251914,0.54755685,0.6578929129000001,0.6578929129000001,GGA,C2/m,A4B3_mC14_12_2i_ai:Mg-Si,14.0,A4B3_mC14_12_4i_2a2i:Mg-Si +mp-1074532,Mg4Si3,-3.1889190807,0.0506629607,0.1609990236,0.1609990236,GGA,I222,A4B3_oI28_23_efk_gk:Mg-Si,14.0,A4B3_oI28_23_2e2f2k_2g2k:Mg-Si +mp-1074405,Mg4Si3,-3.2116762614,0.02790578,0.1382418429,0.1382418429,GGA,R-3,A4B3_hR42_148_abf_f:Mg-Si,14.0,"Invalid WP multiplicities - A4B3_hR42_148_ab3f_f:Mg-Si, expected Mg10Si3 to be Mg4Si3" +mp-1075360,Mg5Si6,-3.5623441868,0.1243202159,0.2120875386,0.2120875386,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075368,Mg5Si6,-3.5467869818,0.1398774209,0.2276447436,0.2276447436,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075385,Mg5Si6,-3.5175336977,0.169130705,0.2568980277,0.2568980277,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075403,Mg5Si6,-3.5503549777,0.136309425,0.2240767477,0.2240767477,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075363,Mg5Si6,-3.5676142418,0.1190501609,0.2068174836,0.2068174836,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075387,Mg5Si6,-3.5631079,0.1235565027,0.2113238255,0.2113238255,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075421,Mg5Si6,-3.51965591,0.1670084927,0.2547758155,0.2547758155,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075418,Mg5Si6,-3.5405788355,0.1460855673,0.23385289,0.23385289,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075422,Mg5Si6,-3.5399449159,0.1467194868,0.2344868095,0.2344868095,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075464,Mg5Si6,-3.5152442859,0.1714201168,0.2591874395,0.2591874395,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075466,Mg5Si6,-3.5563981441,0.1302662586,0.2180335814,0.2180335814,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075475,Mg5Si6,-3.5396733441,0.1469910586,0.2347583814,0.2347583814,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075486,Mg5Si6,-3.59002808,0.0966363227,0.1844036455,0.1844036455,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075483,Mg5Si6,-3.5317351077,0.154929295,0.2426966177,0.2426966177,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075495,Mg5Si6,-3.5362452005,0.1504192023,0.238186525,0.238186525,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075499,Mg5Si6,-3.5218019795,0.1648624232,0.2526297459,0.2526297459,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075500,Mg5Si6,-3.5359312955,0.1507331073,0.23850043,0.23850043,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075505,Mg5Si6,-3.5583812905,0.1282831123,0.216050435,0.216050435,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075510,Mg5Si6,-3.5735207609,0.1131436418,0.2009109645,0.2009109645,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075570,Mg5Si6,-3.5848190795,0.1018453232,0.1896126459,0.1896126459,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075573,Mg5Si6,-3.5661707936,0.1204936091,0.2082609318,0.2082609318,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075576,Mg5Si6,-3.5446706618,0.1419937409,0.2297610636,0.2297610636,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075566,Mg5Si6,-3.5486219605,0.1380424423,0.225809765,0.225809765,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075569,Mg5Si6,-3.5475810491,0.1390833536,0.2268506764,0.2268506764,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075578,Mg5Si6,-3.5127766468,0.1738877559,0.2616550786,0.2616550786,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075589,Mg5Si6,-3.5091730936000003,0.1774913091,0.2652586318,0.2652586318,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1100471,Mg5Si6,-3.5461900464,0.1404743564,0.2282416791,0.2282416791,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1100472,Mg5Si6,-3.5552668118,0.1313975909,0.2191649136,0.2191649136,GGA,P1,A5B6_aP22_1_10a_12a:Mg-Si,22.0,A5B6_aP22_1_10a_12a:Mg-Si +mp-1075479,Mg5Si6,-3.5903963464,0.0962680564,0.1840353791,0.1840353791,GGA,P-1,A5B6_aP22_2_5i_6i:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_aP22_2_9i_11i:Mg-Si, expected Mg9Si11 to be Mg5Si6" +mp-1075582,Mg5Si6,-3.5921313114,0.0945330914,0.1823004141,0.1823004141,GGA,P-1,A5B6_aP22_2_5i_6i:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_aP22_2_7i_8i:Mg-Si, expected Mg7Si8 to be Mg5Si6" +mp-1100474,Mg5Si6,-3.5826895209,0.1039748818,0.1917422045,0.1917422045,GGA,P-1,A5B6_aP22_2_5i_6i:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_aP22_2_7i_11i:Mg-Si, expected Mg7Si11 to be Mg5Si6" +mp-1100709,Mg5Si6,-3.6019018373,0.0847625655,0.1725298882,0.1725298882,GGA,P-1,A5B6_aP11_2_a2i_3i:Mg-Si,11.0,"Invalid WP multiplicities - A5B6_aP11_2_a2i_5i:Mg-Si, expected MgSi2 to be Mg5Si6" +mp-1075504,Mg5Si6,-3.5466210032000003,0.1400433995,0.2278107223,0.2278107223,GGA,P2_1,A5B6_mP22_4_5a_6a:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_mP22_4_9a_12a:Mg-Si, expected Mg3Si4 to be Mg5Si6" +mp-1075513,Mg5Si6,-3.5669509741,0.1197134286,0.2074807514,0.2074807514,GGA,C2,A5B6_mC44_5_5c_6c:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_mC44_5_9c_9c:Mg-Si, expected MgSi to be Mg5Si6" +mp-1075396,Mg5Si6,-3.5893242814,0.0973401214,0.1851074441,0.1851074441,GGA,Pm,A5B6_mP22_6_2a8b_10a2b:Mg-Si,22.0,A5B6_mP22_6_2a8b_10a2b:Mg-Si +mp-1075406,Mg5Si6,-3.565244775,0.1214196277,0.2091869505,0.2091869505,GGA,Pm,A5B6_mP22_6_4a6b_7a5b:Mg-Si,22.0,A5B6_mP22_6_4a6b_7a5b:Mg-Si +mp-1075433,Mg5Si6,-3.554911685,0.1317527177,0.2195200405,0.2195200405,GGA,Pm,A5B6_mP22_6_2a8b_10a2b:Mg-Si,22.0,A5B6_mP22_6_2a8b_10a2b:Mg-Si +mp-1075384,Mg5Si6,-3.5436806155,0.1429837873,0.23075111,0.23075111,GGA,Pm,A5B6_mP22_6_4a6b_7a5b:Mg-Si,22.0,A5B6_mP22_6_4a6b_7a5b:Mg-Si +mp-1075489,Mg5Si6,-3.5498309086,0.1368334941,0.2246008168,0.2246008168,GGA,Pm,A5B6_mP22_6_2a8b_10a2b:Mg-Si,22.0,A5B6_mP22_6_2a8b_10a2b:Mg-Si +mp-1075490,Mg5Si6,-3.56732313,0.1193412727,0.2071085955,0.2071085955,GGA,Pm,A5B6_mP22_6_4a6b_7a5b:Mg-Si,22.0,A5B6_mP22_6_4a6b_7a5b:Mg-Si +mp-1100708,Mg5Si6,-3.51560189,0.1710625127,0.2588298355,0.2588298355,GGA,Pm,A5B6_mP22_6_2a8b_11ab:Mg-Si,22.0,A5B6_mP22_6_2a8b_11ab:Mg-Si +mp-1075362,Mg5Si6,-3.5509707541,0.1356936486,0.2234609714,0.2234609714,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075366,Mg5Si6,-3.5566389664,0.1300254364,0.2177927591,0.2177927591,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075372,Mg5Si6,-3.5793166282,0.1073477745,0.1951150973,0.1951150973,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075399,Mg5Si6,-3.5644214277,0.122242975,0.2100102977,0.2100102977,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075405,Mg5Si6,-3.5853745577,0.101289845,0.1890571677,0.1890571677,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075412,Mg5Si6,-3.5034606245,0.1832037782,0.2709711009,0.2709711009,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075377,Mg5Si6,-3.5963352795,0.0903291232,0.1780964459,0.1780964459,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075413,Mg5Si6,-3.5356230859,0.1510413168,0.2388086395,0.2388086395,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075469,Mg5Si6,-3.5493271241,0.1373372786,0.2251046014,0.2251046014,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075487,Mg5Si6,-3.55617775,0.1304866527,0.2182539755,0.2182539755,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075496,Mg5Si6,-3.5288079723,0.1578564305,0.2456237532,0.2456237532,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075515,Mg5Si6,-3.5625652682,0.1240991345,0.2118664573,0.2118664573,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075521,Mg5Si6,-3.5028557614,0.1838086414,0.2715759641,0.2715759641,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075577,Mg5Si6,-3.5784973686,0.1081670341,0.1959343568,0.1959343568,GGA,Cm,A5B6_mC44_8_10a_12a:Mg-Si,22.0,A5B6_mC44_8_10a_12a:Mg-Si +mp-1075532,Mg5Si6,-3.5493761791000003,0.1372882236,0.2250555464,0.2250555464,GGA,P2/m,A5B6_mP22_10_cd4n_5mn:Mg-Si,22.0,A5B6_mP22_10_ad4n_5mn:Mg-Si +mp-1075481,Mg5Si6,-3.5940738218,0.0925905809,0.1803579036,0.1803579036,GGA,P2_1/m,A5B6_mP22_11_5e_6e:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_mP22_11_7e_8e:Mg-Si, expected Mg7Si8 to be Mg5Si6" +mp-568306,Mg5Si6,-3.6210593955,0.0656050073,0.15337233,0.15337233,GGA,C2/m,A5B6_mC22_12_a2i_3i:Mg-Si,11.0,"Invalid WP multiplicities - A5B6_mC22_12_a3i_5i:Mg-Si, expected Mg7Si10 to be Mg5Si6" +mp-31404,Mg5Si6,-3.51407434,0.1725900627,0.2603573855,0.2603573855,GGA,C2/m,A5B6_mC22_12_a2i_3i:Mg-Si,11.0,A5B6_mC22_12_a2i_3i:Mg-Si +mp-1075430,Mg5Si6,-3.5860129845,0.1006514182,0.1884187409,0.1884187409,GGA,C2/m,A5B6_mC44_12_5i_6i:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_mC44_12_7i_11i:Mg-Si, expected Mg7Si11 to be Mg5Si6" +mp-1075502,Mg5Si6,-3.5274399709,0.1592244318,0.2469917545,0.2469917545,GGA,Ama2,A5B6_oC44_40_5b_6b:Mg-Si,22.0,"Invalid WP multiplicities - A5B6_oC44_40_9b_9b:Mg-Si, expected MgSi to be Mg5Si6" +mp-1073371,MgSi2,-3.983445925,0.166859445,0.2312221483,0.2312221483,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073363,MgSi2,-3.9735713346,0.1767340354,0.2410967387,0.2410967387,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1073316,MgSi2,-3.98749891,0.16280646,0.2271691633,0.2271691633,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073405,MgSi2,-3.970448705,0.179856665,0.2442193683,0.2442193683,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073396,MgSi2,-3.9823533092,0.1679520608,0.2323147642,0.2323147642,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073398,MgSi2,-3.9576112975,0.1926940725,0.2570567758,0.2570567758,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1073395,MgSi2,-3.9052378775,0.2450674925,0.3094301958,0.3094301958,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1073409,MgSi2,-3.9747644742,0.1755408958,0.2399035992,0.2399035992,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073451,MgSi2,-3.9128067325,0.2374986375,0.3018613408,0.3018613408,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073470,MgSi2,-3.9675847808,0.1827205892,0.2470832925,0.2470832925,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073493,MgSi2,-3.9865443458,0.1637610242,0.2281237275,0.2281237275,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1073465,MgSi2,-3.9227081225,0.2275972475,0.2919599508,0.2919599508,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073483,MgSi2,-3.9765209558,0.1737844142,0.2381471175,0.2381471175,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073358,MgSi2,-4.000994165,0.149311205,0.2136739083,0.2136739083,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073528,MgSi2,-4.0277898567,0.1225155133,0.1868782167,0.1868782167,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073519,MgSi2,-3.9703839883,0.1799213817,0.244284085,0.244284085,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073545,MgSi2,-3.9037446083,0.2465607617,0.310923465,0.310923465,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073459,MgSi2,-3.9117487917,0.2385565783,0.3029192817,0.3029192817,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073530,MgSi2,-3.9443818642,0.2059235058,0.2702862092,0.2702862092,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073557,MgSi2,-3.933075105,0.217230265,0.2815929683,0.2815929683,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073562,MgSi2,-3.9059912475,0.2443141225,0.3086768258,0.3086768258,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073590,MgSi2,-3.9907777496,0.1595276204,0.2238903237,0.2238903237,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1073592,MgSi2,-3.9544683933,0.1958369767,0.26019968,0.26019968,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073623,MgSi2,-3.9856948967,0.1646104733,0.2289731767,0.2289731767,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073613,MgSi2,-3.9195026675,0.2308027025,0.2951654058,0.2951654058,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073665,MgSi2,-3.9328742192,0.2174311508,0.2817938542,0.2817938542,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073655,MgSi2,-3.9654646104,0.1848407596,0.2492034629,0.2492034629,GGA,P1,AB2_aP24_1_8a_16a:Mg-Si,24.0,AB2_aP24_1_8a_16a:Mg-Si +mp-1100467,MgSi2,-4.0001478075,0.1501575625,0.2145202658,0.2145202658,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1100469,MgSi2,-3.980560165,0.169745205,0.2341079083,0.2341079083,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1250351,MgSi2,-3.895877595,0.254427775,0.3187904783,0.3187904783,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1262288,MgSi2,-3.8951841808,0.2551211892,0.3194838925,0.3194838925,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1255188,MgSi2,-3.9862183325,0.1640870375,0.2284497408,0.2284497408,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1398291,MgSi2,-3.5499270758,0.6003782942,0.6647409975,0.6647409975,GGA,P1,AB2_aP12_1_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073298,MgSi2,-3.9973198921,0.1529854779,0.2173481812,0.2173481812,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073326,MgSi2,-3.9322462729,0.2180590971,0.2824218004,0.2824218004,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073387,MgSi2,-3.9658523975,0.1844529725,0.2488156758,0.2488156758,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073408,MgSi2,-3.981162375,0.169142995,0.2335056983,0.2335056983,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_aP12_2_2i_6i:Mg-Si, expected MgSi3 to be MgSi2" +mp-1073416,MgSi2,-3.9938398633,0.1564655067,0.22082821,0.22082821,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,AB2_aP12_2_2i_4i:Mg-Si +mp-1073454,MgSi2,-3.9829882404,0.1673171296,0.2316798329,0.2316798329,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,AB2_aP24_2_8i_16i:Mg-Si +mp-1073277,MgSi2,-3.9680664008,0.1822389692,0.2466016725,0.2466016725,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_aP12_2_2i_6i:Mg-Si, expected MgSi3 to be MgSi2" +mp-1073469,MgSi2,-3.9272184342,0.2230869358,0.2874496392,0.2874496392,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,AB2_aP12_2_2i_4i:Mg-Si +mp-1073369,MgSi2,-3.9859864858,0.1643188842,0.2286815875,0.2286815875,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,AB2_aP12_2_3i_6i:Mg-Si +mp-1073539,MgSi2,-3.9961087662,0.1541966038,0.2185593071,0.2185593071,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073647,MgSi2,-3.9189614788,0.2313438912,0.2957065946,0.2957065946,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073672,MgSi2,-3.9699736992,0.1803316708,0.2446943742,0.2446943742,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,AB2_aP24_2_8i_16i:Mg-Si +mp-1073630,MgSi2,-3.9396281217,0.2106772483,0.2750399517,0.2750399517,GGA,P-1,AB2_aP24_2_4i_8i:Mg-Si,24.0,"Invalid WP multiplicities - AB2_aP24_2_6i_16i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1100462,MgSi2,-3.9154022933,0.2349030767,0.29926578,0.29926578,GGA,P-1,AB2_aP12_2_2i_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_aP12_2_2i_8i:Mg-Si, expected MgSi4 to be MgSi2" +mp-1100464,MgSi2,-3.9532723233,0.1970330467,0.26139575,0.26139575,GGA,P-1,AB2_aP6_2_i_2i:Mg-Si,6.0,"Invalid WP multiplicities - AB2_aP6_2_i_4i:Mg-Si, expected MgSi4 to be MgSi2" +mp-1248532,MgSi2,-3.8940303292,0.2562750408,0.3206377442,0.3206377442,GGA,P-1,AB2_aP12_2_bei_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_aP12_2_be2i_8i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073644,MgSi2,-4.0148980175,0.1354073525,0.1997700558,0.1997700558,GGA,P2_1,AB2_mP12_4_2a_4a:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_4_3a_7a:Mg-Si, expected Mg3Si7 to be MgSi2" +mp-1073313,MgSi2,-3.9672028208,0.1831025492,0.2474652525,0.2474652525,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073300,MgSi2,-3.9728892283,0.1774161417,0.241778845,0.241778845,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073477,MgSi2,-3.9946750417,0.1556303283,0.2199930317,0.2199930317,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073523,MgSi2,-3.9563645892,0.1939407808,0.2583034842,0.2583034842,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073263,MgSi2,-3.9846568825,0.1656484875,0.2300111908,0.2300111908,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073570,MgSi2,-3.9748261217,0.1754792483,0.2398419517,0.2398419517,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1073604,MgSi2,-4.030232965,0.120072405,0.1844351083,0.1844351083,GGA,Pm,AB2_mP12_6_2a2b_4a4b:Mg-Si,12.0,AB2_mP12_6_2a2b_4a4b:Mg-Si +mp-1100457,MgSi2,-3.982702125,0.167603245,0.2319659483,0.2319659483,GGA,Pm,AB2_mP24_6_4a4b_8c:Mg-Si,24.0,"Invalid WP multiplicities - AB2_mP24_6_4a4b_16c:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073318,MgSi2,-3.9384008817,0.2119044883,0.2762671917,0.2762671917,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073360,MgSi2,-3.89585018,0.25445519,0.3188178933,0.3188178933,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073410,MgSi2,-3.95766344,0.19264193,0.2570046333,0.2570046333,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073302,MgSi2,-4.0108250725,0.1394802975,0.2038430008,0.2038430008,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_aP12_1_4a_8a:Mg-Si +mp-1073428,MgSi2,-3.9983163192,0.1519890508,0.2163517542,0.2163517542,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073306,MgSi2,-3.97785887,0.1724465,0.2368092033,0.2368092033,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073481,MgSi2,-3.9358547658,0.2144506042,0.2788133075,0.2788133075,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073362,MgSi2,-3.9984555433,0.1518498267,0.21621253,0.21621253,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073522,MgSi2,-4.0149836708,0.1353216992,0.1996844025,0.1996844025,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073274,MgSi2,-3.9779842192,0.1723211508,0.2366838542,0.2366838542,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073598,MgSi2,-3.9302189792,0.2200863908,0.2844490942,0.2844490942,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073587,MgSi2,-3.8977470642,0.2525583058,0.3169210092,0.3169210092,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073678,MgSi2,-3.8980152608,0.2522901092,0.3166528125,0.3166528125,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073638,MgSi2,-3.9598715617,0.1904338083,0.2547965117,0.2547965117,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1100463,MgSi2,-3.9617284708,0.1885768992,0.2529396025,0.2529396025,GGA,Cm,AB2_mC24_8_4a_8a:Mg-Si,12.0,AB2_mC24_8_4a_8a:Mg-Si +mp-1073330,MgSi2,-3.9063642892,0.2439410808,0.3083037842,0.3083037842,GGA,P2/m,AB2_mP12_10_2m_4n:Mg-Si,12.0,AB2_mP12_10_4m_8n:Mg-Si +mp-1073304,MgSi2,-3.9905740975,0.1597312725,0.2240939758,0.2240939758,GGA,P2/m,AB2_mP12_10_mn_2m2n:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_10_mn_4m4n:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073366,MgSi2,-3.9248488858,0.2254564842,0.2898191875,0.2898191875,GGA,P2/m,AB2_mP12_10_2m_4n:Mg-Si,12.0,AB2_mP12_10_4m_8n:Mg-Si +mp-1073268,MgSi2,-3.9843501808,0.1659551892,0.2303178925,0.2303178925,GGA,P2/m,AB2_mP12_10_mn_2m2n:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_10_mn_4m4n:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073594,MgSi2,-3.9084823083,0.2418230617,0.306185765,0.306185765,GGA,P2/m,AB2_mP12_10_mn_acm2n:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_10_m2n_acm3n:Mg-Si, expected Mg3Si5 to be MgSi2" +mp-1073669,MgSi2,-3.8760456525,0.2742597175,0.3386224208,0.3386224208,GGA,P2/m,AB2_mP12_10_mn_adm2n:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_10_mn_cd2m4n:Mg-Si, expected Mg2Si7 to be MgSi2" +mp-1073419,MgSi2,-3.9291795917,0.2211257783,0.2854884817,0.2854884817,GGA,P2_1/m,AB2_mP6_11_e_2e:Mg-Si,6.0,"Invalid WP multiplicities - AB2_mP6_11_e_3e:Mg-Si, expected MgSi3 to be MgSi2" +mp-1073478,MgSi2,-3.9983600442,0.1519453258,0.2163080292,0.2163080292,GGA,P2_1/m,AB2_mP12_11_2e_4e:Mg-Si,12.0,AB2_mP12_11_4e_8e:Mg-Si +mp-1073484,MgSi2,-3.9198542675,0.2304511025,0.2948138058,0.2948138058,GGA,P2_1/m,AB2_mP12_11_2e_4e:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_11_2e_8e:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073599,MgSi2,-3.9782562192,0.1720491508,0.2364118542,0.2364118542,GGA,P2_1/m,AB2_mP24_11_4e_4f:Mg-Si,24.0,"Invalid WP multiplicities - AB2_mP24_11_8e_16f:Mg-Si, expected MgSi4 to be MgSi2" +mp-1100460,MgSi2,-3.8778150917,0.2724902783,0.3368529817,0.3368529817,GGA,P2_1/m,AB2_mP6_11_e_2e:Mg-Si,6.0,"Invalid WP multiplicities - AB2_mP6_11_e_3e:Mg-Si, expected MgSi3 to be MgSi2" +mp-1073315,MgSi2,-3.9418070717,0.2084982983,0.2728610017,0.2728610017,GGA,C2/m,AB2_mC24_12_adi_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_ad2i_8i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073294,MgSi2,-3.9928655858,0.1574397842,0.2218024875,0.2218024875,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,AB2_mC24_12_2i_4i:Mg-Si +mp-1073361,MgSi2,-3.9826047725,0.1677005975,0.2320633008,0.2320633008,GGA,C2/m,AB2_mC24_12_adi_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_ac2i_8i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073413,MgSi2,-3.9605195183,0.1897858517,0.254148555,0.254148555,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,AB2_mC24_12_3i_6i:Mg-Si +mp-1073359,MgSi2,-3.988782665,0.161522705,0.2258854083,0.2258854083,GGA,C2/m,AB2_mC24_12_aci_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_ac2i_7i:Mg-Si, expected Mg3Si7 to be MgSi2" +mp-1073254,MgSi2,-3.9832506317,0.1670547383,0.2314174417,0.2314174417,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Si,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Si, expected MgSi3 to be MgSi2" +mp-1073495,MgSi2,-3.9861068617,0.1641985083,0.2285612117,0.2285612117,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,AB2_mC24_12_2i_4i:Mg-Si +mp-1073532,MgSi2,-3.945467645,0.204837725,0.2692004283,0.2692004283,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_3i_7i:Mg-Si, expected Mg3Si7 to be MgSi2" +mp-1073575,MgSi2,-3.8983153942,0.2519899758,0.3163526792,0.3163526792,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,AB2_mC24_12_2i_4i:Mg-Si +mp-1073593,MgSi2,-3.9838749075,0.1664304625,0.2307931658,0.2307931658,GGA,C2/m,AB2_mC24_12_2i_2j:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_4i_7j:Mg-Si, expected Mg2Si7 to be MgSi2" +mp-1073578,MgSi2,-3.8529729317,0.2973324383,0.3616951417,0.3616951417,GGA,C2/m,AB2_mC12_12_i_aci:Mg-Si,6.0,AB2_mC12_12_i_adi:Mg-Si +mp-1073586,MgSi2,-3.8517337858,0.2985715842,0.3629342875,0.3629342875,GGA,C2/m,AB2_mC24_12_aci_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_ac2i_8i:Mg-Si, expected Mg3Si8 to be MgSi2" +mp-1073635,MgSi2,-3.88560045,0.26470492,0.3290676233,0.3290676233,GGA,C2/m,AB2_mC6_12_a_i:Mg-Si,12.0,AB2_aP3_2_a_i:Mg-Si +mp-1073656,MgSi2,-3.9651702133,0.1851351567,0.24949786,0.24949786,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,AB2_mC24_12_4i_8i:Mg-Si +mp-1073663,MgSi2,-3.9791189658,0.1711864042,0.2355491075,0.2355491075,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC12_12_i_5i:Mg-Si, expected MgSi5 to be MgSi2" +mp-1100461,MgSi2,-3.99482764,0.15547773,0.2198404333,0.2198404333,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Si,6.0,AB2_mC12_12_i_2i:Mg-Si +mp-1260852,MgSi2,-3.9732369142,0.1770684558,0.2414311592,0.2414311592,GGA,C2/m,AB2_mC24_12_2i_4i:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mC24_12_2i_6i:Mg-Si, expected MgSi3 to be MgSi2" +mp-1262552,MgSi2,-3.9875946133,0.1627107567,0.22707346,0.22707346,GGA,C2/m,AB2_mC12_12_i_aci:Mg-Si,12.0,"Invalid WP multiplicities - AB2_oC12_63_c_2a2c:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073642,MgSi2,-4.0469667092,0.1033386608,0.1677013642,0.1677013642,GGA,P2_1/c,AB2_mP12_14_e_2e:Mg-Si,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_5e:Mg-Si, expected MgSi5 to be MgSi2" +mp-1100466,MgSi2,-4.0499919275,0.1003134425,0.1646761458,0.1646761458,GGA,P2_1/c,AB2_mP12_14_e_2e:Mg-Si,12.0,"Invalid WP multiplicities - AB2_hR18_166_c_5c:Mg-Si, expected MgSi5 to be MgSi2" +mp-1073455,MgSi2,-3.978734125,0.171571245,0.2359339483,0.2359339483,GGA,P2_12_12_1,AB2_oP24_19_2a_4a:Mg-Si,24.0,"Invalid WP multiplicities - AB2_oP24_19_5a_14a:Mg-Si, expected Mg5Si14 to be MgSi2" +mp-1073367,MgSi2,-3.91019217,0.2401132,0.3044759033,0.3044759033,GGA,Pmm2,AB2_oP12_25_ace_2b2d2f:Mg-Si,12.0,AB2_oP12_25_ace_2b2d2f:Mg-Si +mp-1263094,MgSi2,-3.9307857975,0.2195195725,0.2838822758,0.2838822758,GGA,Pmc2_1,AB2_oP24_26_2a2b_4c:Mg-Si,24.0,"Invalid WP multiplicities - AB2_oP24_55_3g4h_10i:Mg-Si, expected Mg7Si20 to be MgSi2" +mp-1073529,MgSi2,-3.9744509175,0.1758544525,0.2402171558,0.2402171558,GGA,Pnma,AB2_oP12_62_c_2c:Mg-Si,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_4c:Mg-Si, expected MgSi4 to be MgSi2" +mp-1100458,MgSi2,-3.9965942688,0.1537111012,0.2180738046,0.2180738046,GGA,Pnma,AB2_oP24_62_2c_2d:Mg-Si,24.0,"Invalid WP multiplicities - AB2_oP24_62_5c_10d:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073568,MgSi2,-3.9759301467,0.1743752233,0.2387379267,0.2387379267,GGA,Cmcm,AB2_oC12_63_c_ac:Mg-Si,6.0,AB2_oC12_63_c_ac:Mg-Si +mp-1073299,MgSi2,-3.9420258467,0.2082795233,0.2726422267,0.2726422267,GGA,Cmmm,AB2_oC6_65_a_h:Mg-Si,3.0,AB2_oC6_65_a_h:Mg-Si +mp-1445202,MgSi2,-3.9122435267,0.2380618433,0.3024245467,0.3024245467,GGA,Immm,AB2_oI6_71_a_e:Mg-Si,3.0,AB2_mC6_12_a_i:Mg-Si +mp-1120781,Ni3Se4,-5.0518626443,-0.5769975085,0.0,-0.0401659321,GGA,Fd-3m,A3B4_cF56_227_ad_e:Ni-Se,14.0,"Invalid WP multiplicities - A3B4_cF56_227_2a2d_e:Ni-Se, expected Ni3Se2 to be Ni3Se4" +mp-7449,Cs2Se3,-3.55920879,-1.1035009546,0.0,-0.0805616688,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:Cs-Se,10.0,A2B3_oC20_36_2a_ab:Cs-Se +mp-14336,Cs2Ni3Se4,-4.5398038678,-0.8603749017000001,0.0,-0.1001757811,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Ni-Se,9.0,"Invalid WP multiplicities - A2B3C4_oF36_69_g_a2c_n:Cs-Ni-Se, expected Cs2Ni5Se4 to be Cs2Ni3Se4" +mp-541055,Cs2Se5,-3.6976472661,-0.94473839,0.0,-0.0044156301,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:Cs-Se,28.0,A2B5_oP28_19_2a_5a:Cs-Se +mp-571033,NiSe,-5.09980253,-0.4617784512,0.0643807317,0.0643807317,GGA,P4/nmm,AB_tP4_129_a_c:Ni-Se,4.0,AB_tP4_129_a_c:Ni-Se +mp-15651,NiSe,-5.16124464,-0.5232205612,0.0029386217,0.0029386217,GGA,R3m,AB_hR18_160_b_b:Ni-Se,6.0,AB_hR18_160_b_b:Ni-Se +mp-662,NiSe,-5.1110416175,-0.4730175387,0.0531416442,0.0531416442,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-Se,4.0,AB_hP4_194_a_c:Ni-Se +mp-1058331,CsSe,-2.97749317,-0.7818362451,0.3598798675,0.3598798675,GGA,Pm-3m,AB_cP2_221_a_b:Cs-Se,2.0,AB_cP2_221_a_b:Cs-Se +mp-1071078,NiSe2,-4.812299475,-0.5549795966000001,0.0,-0.1062037566,GGA,Pnnm,AB2_oP6_58_a_g:Ni-Se,6.0,AB2_oP6_58_a_g:Ni-Se +mp-20901,NiSe2,-4.798220175,-0.5409002966,0.0140793,-0.0921244566,GGA,Pa-3,AB2_cP12_205_a_c:Ni-Se,12.0,AB2_cP12_205_a_c:Ni-Se +mp-1201920,CsSe4,-3.7937487704,-0.8179391138000001,0.0,-0.1566222408,GGA,Pbcm,AB4_oP80_57_2c2d_2d7e:Cs-Se,80.0,AB4_oP80_57_2c2d_2d7e:Cs-Se +mp-1011709,Cs2Se,-2.9475899708,-1.1853512302,0.0200568125,-0.5722951444000001,GGA,P2_1/c,A2B_mP12_14_2e_e:Cs-Se,12.0,A2B_mP12_14_2e_e:Cs-Se +mp-1080271,Cs2Se,-2.8958947967,-1.1336560561,0.0717519867,-0.5205999702,GGA,Cmc2_1,A2B_oC12_36_2a_a:Cs-Se,6.0,A2B_oC12_36_2a_a:Cs-Se +mp-569272,Cs2Se,-2.8925193233,-1.1302805827,0.07512746,-0.5172244969,GGA,Fdd2,A2B_oF24_43_b_a:Cs-Se,6.0,A2B_oF24_43_b_a:Cs-Se +mp-1011730,Cs2Se,-2.67525216,-0.9130134194,0.2923946233,-0.2999573335,GGA,Pmma,A2B_oP6_51_ef_e:Cs-Se,6.0,A2B_oP6_51_ef_e:Cs-Se +mp-1011696,Cs2Se,-2.947786765,-1.1855480244,0.0198600183,-0.5724919385,GGA,Pnma,A2B_oP12_62_2c_c:Cs-Se,12.0,A2B_oP12_62_2c_c:Cs-Se +mp-1080276,Cs2Se,-2.89174364,-1.1295048994,0.0759031433,-0.5164488135,GGA,Cmcm,A2B_oC12_63_ac_c:Cs-Se,6.0,A2B_oC12_63_ac_c:Cs-Se +mp-1247784,Cs2Se,-2.86871759,-1.1064788494,0.0989291933,-0.4934227635,GGA,P-3m1,A2B_hP3_164_d_a:Cs-Se,3.0,A2B_hP3_164_d_a:Cs-Se +mp-1080258,Cs2Se,-2.9047747867,-1.1425360461,0.0628719967,-0.5294799602,GGA,R-3m,A2B_hR18_166_2c_c:Cs-Se,6.0,A2B_hR18_166_2c_c:Cs-Se +mp-1080254,Cs2Se,-2.894311205,-1.1320724644,0.0733355783,-0.5190163785,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Cs-Se,6.0,A2B_hP6_194_ac_d:Cs-Se +mp-1011697,Cs2Se,-2.6621069817,-0.8998682411000001,0.3055398017,-0.2868121552,GGA,Pn-3m,A2B_cP6_224_b_a:Cs-Se,6.0,A2B_cP6_224_b_a:Cs-Se +mp-1011695,Cs2Se,-2.9676467833,-1.2054080427,0.0,-0.5923519569,GGA,Fm-3m,A2B_cF12_225_c_a:Cs-Se,3.0,A2B_cF12_225_c_a:Cs-Se +mp-985605,Cs3Ni,-1.4156088475,0.7009771016,0.7009771016,0.7009771016,GGA,I4/mmm,A3B_tI8_139_ad_b:Cs-Ni,4.0,A3B_tI8_139_ad_b:Cs-Ni +mp-685124,Ni19Se20,-5.1015031221000005,-0.4927639817,0.0425200288,0.0425200288,GGA,P-1,A19B20_aP39_2_acd8i_10i:Ni-Se,39.0,"Invalid WP multiplicities - A19B20_aP39_2_acd16i_20i:Ni-Se, expected Ni7Se8 to be Ni19Se20" +mp-2056,Ni3Se2,-5.321432126,-0.4549855269,0.0,-0.036409078,GGA,R32,A3B2_hR15_155_d_c:Ni-Se,5.0,A3B2_hR15_155_d_c:Ni-Se +mp-1186370,Ni3Se,-5.2195096125,-0.0104292331,0.2739367212,0.2739367212,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Se,8.0,A3B_hP8_194_h_c:Ni-Se +mp-10998,Yb2Ge2Ir,-5.000394171,-0.7676528810000001,0.0,-0.0421378281,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Ir-Yb,,"Invalid WP multiplicities - A2BC2_mC20_12_4i_i_4i:Ge-Ir-Yb, expected Yb4Ge4Ir to be Yb2Ge2Ir" +mp-1195984,Yb3Ge13Ir4,-5.48810543,-0.4845092462,0.0,-0.0405851111,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Yb,,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Yb +mp-17578,Yb4Ge6Ir7,-6.3731034365,-0.7398305241,0.0,-0.101434894,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Yb,,"Invalid WP multiplicities - A6B7C4_cI34_229_e_a2d_c:Ge-Ir-Yb, expected Yb4Ge6Ir13 to be Yb4Ge6Ir7" +mp-1199005,Yb5(Ge5Ir2)2,-5.3509445374,-0.6518889232,0.0,-0.031330369,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Yb,,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Yb +mp-568672,YbGeIr,-5.7883560925,-0.7879993208,0.0,-0.0479590853,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Yb,,ABC_oP12_62_c_c_c:Ge-Ir-Yb +mp-1186616,PmMg2Sc,-3.636653515,-0.0657606331,0.0199169525,0.0199169525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pm-Sc,4.0,A2BC_cF16_225_c_a_b:Mg-Pm-Sc +mp-973147,Mg5Sc,-2.3769598833,0.0120183425,0.0467296042,0.0467296042,GGA,Cm,A5B_mC12_8_5a_a:Mg-Sc,6.0,A5B_mC12_8_5a_a:Mg-Sc +mp-1185829,Mg5Sc,-2.4002099217,-0.0112316958,0.0234795659,0.0234795659,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Sc,6.0,A5B_oC12_38_2a3b_a:Mg-Sc +mp-1185837,Mg5Sc,-2.3652092267,0.0237689992,0.0584802609,0.0584802609,GGA,R32,A5B_hR18_155_cd_b:Mg-Sc,6.0,A5B_hR18_155_cd_b:Mg-Sc +mp-1185819,Mg5Sc,-2.37297972,0.0159985058,0.0507097676,0.0507097676,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Sc,6.0,"Invalid WP multiplicities - A5B_hP6_189_2c3g_a:Mg-Sc, expected Mg13Sc to be Mg5Sc" +mp-1222127,Mg4Sc,-2.5188119440000003,0.027905917,0.0643905965,0.0643905965,GGA,R-3m,A4B_hR15_166_2c_a:Mg-Sc,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Mg-Sc, expected Mg6Sc to be Mg4Sc" +mp-1186537,Pm3Sc,-5.101498155,0.0445258631,0.0445258631,0.0445258631,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Sc,4.0,A3B_tI8_139_ad_b:Pm-Sc +mp-976797,Pm3Sc,-5.1044067375,0.0416172806,0.0416172806,0.0416172806,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Sc,8.0,A3B_hP8_194_h_c:Pm-Sc +mp-1185947,MgSc,-3.98940618,-0.0230316025,0.01707324,0.015887011,GGA,Pmma,AB_oP4_51_e_f:Mg-Sc,4.0,AB_oP4_51_e_f:Mg-Sc +mp-1174,MgSc,-4.00647942,-0.0401048425,0.0,-0.001186229,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Sc,2.0,AB_cP2_221_a_b:Mg-Sc +mp-1186642,PmSc3,-5.8737205875,0.0632668219,0.0632668219,0.0632668219,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Sc,4.0,AB3_tI8_139_a_bd:Pm-Sc +mp-864937,Mg3Sc,-2.8177222375,-0.0343949237,0.0047498825,-0.0013370337,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Sc,8.0,A3B_hP8_194_h_c:Mg-Sc +mp-1185790,Mg3Sc,-2.82247212,-0.0391448062,0.0,-0.0060869162,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Sc,4.0,A3B_cP4_221_c_a:Mg-Sc +mp-1185631,Mg149Sc,-1.6580268333,-0.0261988562,0.0,-0.0251549947,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Sc,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Sc, expected Mg309Sc to be Mg149Sc" +mp-1185687,MgSc5,-5.5300905017,0.0136804275,0.0330643367,0.0330643367,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Sc,6.0,AB5_oC12_38_a_2a3b:Mg-Sc +mp-1079116,Mg7Sc,-2.176122785,0.0156808969,0.0481753863,0.0481753863,GGA,Fm-3m,A7B_cF32_225_ad_b:Mg-Sc,8.0,A7B_cF32_225_ad_b:Mg-Sc +mp-1185968,MgSc3,-5.1286963275,0.0207255137,0.0498013775,0.0498013775,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Sc,4.0,AB3_oI8_44_a_bc:Mg-Sc +mp-1185966,MgSc3,-5.1247154675,0.0247063737,0.0537822375,0.0537822375,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Sc,4.0,"Invalid WP multiplicities - AB3_hP4_187_a_b2h:Mg-Sc, expected MgSc5 to be MgSc3" +mp-1185777,Mg2Sc,-3.1979243783,-0.0202479767,0.0192168417,0.0192168417,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sc,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sc, expected Mg3Sc to be Mg2Sc" +mp-1185779,Mg2Sc,-3.1869139033,-0.0092375017,0.0302273167,0.0302273167,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sc,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sc, expected Mg3Sc to be Mg2Sc" +mp-1185774,Mg2Sc,-3.2117470067,-0.034070605,0.0053942133,0.0053942133,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sc,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Mg-Sc, expected Mg4Sc to be Mg2Sc" +mp-1185956,MgSc2,-4.7707971233,-0.01572437,0.0230434483,0.0110121917,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sc,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sc, expected MgSc3 to be MgSc2" +mp-864941,MgSc2,-4.7938405717,-0.0387678183,0.0,-0.0120312567,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sc,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Sc, expected MgSc4 to be MgSc2" +mp-1192294,Tm3(GaNi3)2,-5.5082520173,-0.5842048905,0.0,-0.0326045216,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Ga-Ni-Tm,22.0,A2B6C3_cI44_229_c_h_e:Ga-Ni-Tm +mp-1941,GaNi,-4.769186825,-0.3650704738,0.0333835145,0.0333835145,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Ni,2.0,AB_cP2_221_a_b:Ga-Ni +mp-11397,Ga3Ni2,-4.5373116840000005,-0.4083993985,0.0,-0.0276156238,GGA,P-3m1,A3B2_hP5_164_ad_d:Ga-Ni,5.0,A3B2_hP5_164_ad_d:Ga-Ni +mp-1225030,Ga21Ni5,-3.5720441712,-0.0147095607,0.1954838267,0.1954838267,GGA,Fmm2,A21B5_oF104_42_a3c3d2e_ae:Ga-Ni,26.0,"Invalid WP multiplicities - A21B5_oF104_42_a4c6d7e_a2e:Ga-Ni, expected Ga49Ni9 to be Ga21Ni5" +mp-16852,Ga7Ni3,-4.181609904,-0.3279016842,0.0,-0.0168349103,GGA,Im-3m,A7B3_cI40_229_df_e:Ga-Ni,20.0,A7B3_cI40_229_df_e:Ga-Ni +mp-1207993,Tm5Ga3,-4.4289626712,-0.4960295232,0.0139183147,0.0139183147,GGA,C2/m,A3B5_mC32_12_ij_ghij:Ga-Tm,16.0,A3B5_mC32_12_ij_ghij:Ga-Tm +mp-1188658,Tm5Ga3,-4.4140581906000005,-0.4811250426,0.0288227954,0.0288227954,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Tm,16.0,A3B5_hP16_193_g_dg:Ga-Tm +mp-1202141,Tm3Ga2,-4.4406840235,-0.5439443605000001,0.0,-0.022748066,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Tm,40.0,A2B3_tI80_140_achl_ghm:Ga-Tm +mp-1216720,Tm2Ga3Ni,-4.6115637667,-0.642214501,0.023269971,0.023269971,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Tm,6.0,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Tm +mp-1184034,GaNi3,-5.36974509,-0.2776185744,0.0132879075,-0.0271799808,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Ni,4.0,AB3_tI8_139_a_bd:Ga-Ni +mp-1184058,GaNi3,-5.3758082325,-0.2836817169,0.007224765,-0.0332431233,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Ni,8.0,AB3_hP8_194_c_h:Ga-Ni +mp-815,GaNi3,-5.3830329975,-0.2909064819,0.0,-0.0404678883,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Ni,4.0,AB3_cP4_221_a_c:Ga-Ni +mp-11398,Ga3Ni5,-5.1237793238,-0.3756578903,0.0,-0.0073536607,GGA,Cmmm,A3B5_oC16_65_ah_bej:Ga-Ni,8.0,A3B5_oC16_65_ah_bej:Ga-Ni +mp-1106118,TmGa2Ni3,-5.1987733794,-0.5533671281,0.0,-0.0260916272,GGA,P6/mmm,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Tm,18.0,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Tm +mp-1095433,TmGa4Ni,-4.2459121983,-0.5178528328,0.0,-0.0156812903,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Tm,12.0,A4BC_oC24_63_acf_c_c:Ga-Ni-Tm +mp-1224858,GaNi2,-4.9659720267,-0.1031822325,0.2442251883,0.2442251883,GGA,P-3m1,AB2_hP3_164_a_d:Ga-Ni,3.0,AB2_hP3_164_a_d:Ga-Ni +mp-570904,GaNi2,-5.1897090883,-0.3269192942,0.0204881267,0.0204881267,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ga-Ni,6.0,"Invalid WP multiplicities - AB2_hP6_194_c_2ad:Ga-Ni, expected GaNi3 to be GaNi2" +mp-982016,Tm3Ga,-4.3525779737,-0.2386774006,0.1012878247,0.1012878247,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Tm,8.0,AB3_hP8_194_c_h:Ga-Tm +mp-1095578,Ga5Ni,-3.6680594067,-0.1812899413,0.0008776611,0.0008776611,GGA,I4/mcm,A5B_tI24_140_cl_a:Ga-Ni,12.0,A5B_tI24_140_cl_a:Ga-Ni +mp-1207025,Tm2GaNi2,-5.316597268,-0.6085892222,0.0,-0.0082673495,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Tm,5.0,AB2C2_oI10_71_a_f_h:Ga-Ni-Tm +mp-1187602,TmGaNi2,-5.2434556525,-0.477404451,0.1101419761,0.1101419761,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Tm,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Tm +mp-30677,Tm3Ga5,-4.1994860778,-0.62848778,0.0,-0.0226825109,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ga-Tm,32.0,A5B3_oP32_62_3cd_cd:Ga-Tm +mp-21589,Ga9Ni13,-5.0437145718,-0.3894127062,0.0,-0.0087939814,GGA,C2/m,A9B13_mC44_12_a2ij_bfh2ij:Ga-Ni,22.0,"Invalid WP multiplicities - A9B13_mC44_12_a2ij_be2h2ij:Ga-Ni, expected Ga3Ni5 to be Ga9Ni13" +mp-1956,TmGa2,-4.1111283883,-0.6004525656,0.0,-0.0086503473,GGA,Imma,A2B_oI12_74_h_e:Ga-Tm,6.0,A2B_oI12_74_h_e:Ga-Tm +mp-1188961,Tm6GaNi2,-4.9948002706,-0.3899800569,0.0,-0.0024769621,GGA,Immm,AB2C6_oI36_71_ab_fg_lmn:Ga-Ni-Tm,18.0,AB2C6_oI36_71_ab_fg_lmn:Ga-Ni-Tm +mp-1206164,Tm3Ga5Ni,-4.4816451778,-0.6651870597,0.0,-0.0239839031,GGA,P-62m,A5BC3_hP9_189_cf_b_g:Ga-Ni-Tm,9.0,A5BC3_hP9_189_cf_b_g:Ga-Ni-Tm +mp-1025504,TmGa2Ni,-4.735234865,-0.6571938279,0.0,-0.0508095227,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ni-Tm,8.0,A2BC_oC16_63_f_c_c:Ga-Ni-Tm +mp-30655,Ga4Ni3,-4.603434962,-0.3958929434,0.0096649093,0.0096649093,GGA,Ia-3d,A4B3_cI112_230_af_g:Ga-Ni,56.0,A4B3_cI112_230_af_g:Ga-Ni +mp-1203076,Tm4Ga21Ni10,-4.4805509714,-0.5007016867,0.0020919017,0.0020919017,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Tm,35.0,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Tm +mp-1101855,TmGaNi,-5.0943994175,-0.6663767089,0.0,-0.0361854397,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Tm,12.0,ABC_oP12_62_c_c_c:Ga-Ni-Tm +mp-1187644,TmGa3,-3.881779675,-0.4917488023,0.0266822925,-0.0377596344,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Tm,8.0,A3B_hP8_194_h_c:Ga-Tm +mp-1603,TmGa3,-3.9084619675,-0.5184310948,0.0,-0.0644419269,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Tm,4.0,A3B_cP4_221_c_a:Ga-Tm +mp-1208426,TmGa6,-1.6315411579,1.603374779,1.8996211189,1.8996211189,GGA,P4/mmm,A6B_tP14_123_is_e:Ga-Tm,14.0,A6B_tP14_123_is_e:Ga-Tm +mp-1103824,TmGa6,-3.5005950221,-0.2656790852,0.0305672546,0.0305672546,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Tm,14.0,A6B_tP14_125_gm_c:Ga-Tm +mp-1065301,TmGa,-4.3738291025,-0.6218633796,0.0,-0.040344166,GGA,Cmcm,AB_oC8_63_c_c:Ga-Tm,4.0,AB_oC8_63_c_c:Ga-Tm +mp-672389,MnTe,-6.3624876425,-0.2098270498,0.0935644843,0.0935644843,GGA,P2_1/m,AB_mP8_11_2e_2e:Mn-Te,8.0,"Invalid WP multiplicities - AB_mP8_11_3e_4e:Mn-Te, expected Mn3Te4 to be MnTe" +mp-404,MnTe,-6.44581963,-0.2931590373,0.0102324968,0.0102324968,GGA,P6_3/mmc,AB_hP4_194_a_c:Mn-Te,4.0,AB_hP4_194_a_c:Mn-Te +mp-1079443,MnTe,-6.2644132838,-0.111752691,0.191638843,0.191638843,GGA,Pnma,AB_oP8_62_c_c:Mn-Te,8.0,AB_oP8_62_c_c:Mn-Te +mp-1080073,MnTe,-6.443569835,-0.2909092423,0.0124822918,0.0124822918,GGA,Pnma,AB_oP8_62_c_c:Mn-Te,8.0,AB_hP4_194_a_c:Mn-Te +mp-1172860,MnTe,-5.6784701325,0.4741904602,0.7775819943000001,0.7775819943000001,GGA,Imma,AB_oI16_74_h_h:Mn-Te,16.0,AB_oI16_74_h_h:Mn-Te +mp-1009222,MnTe,-6.41889521,-0.2662346173,0.0371569168,0.0371569168,GGA,F-43m,AB_cF8_216_a_c:Mn-Te,2.0,AB_cF8_216_a_c:Mn-Te +mp-1406,MnTe,-6.40026678,-0.2476061873,0.0557853468,0.0557853468,GGA,Fm-3m,AB_cF8_225_a_b:Mn-Te,2.0,AB_cF8_225_a_b:Mn-Te +mp-758104,Mn11Pd21,-6.7740502459,-0.2253100515,0.02346939,0.02346939,GGA,P4/mmm,A11B21_tP32_123_aejk_bcdfst:Mn-Pd,32.0,"Invalid WP multiplicities - A11B21_tP32_123_a2e4j4k_bcd2f4s3t:Mn-Pd, expected Mn37Pd63 to be Mn11Pd21" +mp-622980,MnTePd,-5.83185771,-0.0034567115,0.380771734,0.380771734,GGA,F-43m,ABC_cF12_216_a_b_c:Mn-Pd-Te,3.0,ABC_cF12_216_a_b_c:Mn-Pd-Te +mp-22792,MnTePd,-6.0381542533,-0.2097532549,0.1744751907,0.1744751907,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Pd-Te,3.0,ABC_cF12_216_a_c_b:Mn-Pd-Te +mp-31138,MnPd3,-6.4043533388,-0.2289381582,0.0,-0.0432664488,GGA,I4/mmm,AB3_tI16_139_e_cde:Mn-Pd,8.0,AB3_tI16_139_e_cde:Mn-Pd +mp-1221576,MnPd3,-6.2636003875,-0.088185207,0.1407529512,0.0974865025,GGA,R-3m,AB3_hR12_166_a_bc:Mn-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mn-Pd, expected MnPd5 to be MnPd3" +mp-1186013,MnPd3,-6.3853578375,-0.209942657,0.0189955013,-0.0242709475,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Pd,8.0,AB3_hP8_194_c_h:Mn-Pd +mp-21893,MnTe2,-5.554064405,-0.4045220454,0.0,-0.2090826872,GGA,Pa-3,AB2_cP12_205_a_c:Mn-Te,12.0,AB2_cP12_205_a_c:Mn-Te +mp-1102640,MnPd2,-6.7548219167,-0.2475622793,0.0,-0.0029622746,GGA,Pnma,AB2_oP12_62_c_2c:Mn-Pd,12.0,AB2_oP12_62_c_2c:Mn-Pd +mp-1210958,Mn7Pd9,-6.9527439256,-0.0306787172,0.196509118,0.196509118,GGA,I4/mmm,A7B9_tI32_139_ach_bn:Mn-Pd,16.0,A7B9_tI32_139_ach_bn:Mn-Pd +mp-1185988,Mn3Te,-7.5099630563,0.1473748861,0.2990706532,0.2990706532,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Te,8.0,A3B_hP8_194_h_c:Mn-Te +mp-1185993,Mn3Te,-7.5084394475,0.1488984949,0.3005942619,0.3005942619,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Te,4.0,A3B_cF16_225_ac_b:Mn-Te +mp-1078895,Mn3Pd5,-6.9256127938,-0.252430928,0.0,-0.0168291388,GGA,Cmmm,A3B5_oC16_65_ah_bej:Mn-Pd,8.0,A3B5_oC16_65_ah_bej:Mn-Pd +mp-238,MnPd,-7.37066887,-0.199720319,0.0022244234,0.0022244234,GGA,P4/mmm,AB_tP2_123_a_d:Mn-Pd,2.0,AB_tP2_123_a_d:Mn-Pd +mp-1902,MnPd,-7.36354666,-0.192598109,0.0093466334,0.0093466334,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Pd,2.0,AB_cP2_221_a_b:Mn-Pd +mp-19880,FeTe2,-5.3808727417,-0.4619950761,0.0,-0.2819667172,GGA,Pnnm,AB2_oP6_58_a_g:Fe-Te,6.0,AB2_oP6_58_a_g:Fe-Te +mp-1224800,FeTe2,-5.2571831433,-0.3383054778,0.1236895983,-0.1582771189,GGA,P-3m1,AB2_hP3_164_a_d:Fe-Te,3.0,AB2_hP3_164_a_d:Fe-Te +mp-1102002,FeTe2,-5.3359630433,-0.4170853778,0.0449096983,-0.2370570189,GGA,Pa-3,AB2_cP12_205_a_c:Fe-Te,12.0,AB2_cP12_205_a_c:Fe-Te +mp-29957,Zr5Te6,-6.7254233327,-1.1255743773,0.0038280418,0.0038280418,GGA,P-3m1,A6B5_hP33_164_3i_adgh:Te-Zr,33.0,A6B5_hP33_164_3i_adgh:Te-Zr +mp-1215634,Zr2Te3,-6.45940342,-1.154339632,0.0,-0.012338483,GGA,R-3,A3B2_hR30_148_f_abc:Te-Zr,10.0,A3B2_hR30_148_f_abc:Te-Zr +mp-961649,ZrFeTe,-7.3928734833,-0.6725309056000001,0.0665500333,0.0665500333,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Te-Zr,3.0,ABC_cF12_216_c_a_b:Fe-Te-Zr +mp-350,Zr5Te4,-7.1905276544,-1.0447802407,0.0,-0.0438176539,GGA,I4/m,A4B5_tI18_87_h_ah:Te-Zr,9.0,A4B5_tI18_87_h_ah:Te-Zr +mp-1190681,ZrFe2,-8.768570395,-0.272656045,0.0080273783,-0.1136295956,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Fe-Zr,24.0,A2B_hP24_194_fgh_ef:Fe-Zr +mp-1718,ZrFe2,-8.7765977733,-0.2806834233,0.0,-0.121656974,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Zr,6.0,A2B_cF24_227_c_b:Fe-Zr +mp-1018107,ZrTe2,-6.10684912,-1.1620783144,0.0,-0.0616051994,GGA,P-3m1,A2B_hP3_164_d_a:Te-Zr,3.0,A2B_hP3_164_d_a:Te-Zr +mp-685077,Fe2Te3,-5.479498968,-0.205506948,0.2102886205,0.2102886205,GGA,R-3c,A2B3_hR30_167_c_e:Fe-Te,10.0,A2B3_hR30_167_c_e:Fe-Te +mp-9381,Zr6FeTe2,-7.9607122822,-0.622619307,0.0,-0.0398978599,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Te-Zr,9.0,"Invalid WP multiplicities - AB2C6_hP9_189_a_d_2f2g:Fe-Te-Zr, expected Zr12FeTe2 to be Zr6FeTe2" +mp-31205,Zr3Fe,-8.63774837,-0.109467595,0.0,-0.0042113112,GGA,Cmcm,AB3_oC16_63_c_cf:Fe-Zr,8.0,AB3_oC16_63_c_cf:Fe-Zr +mp-1184307,Fe3Te,-7.0062890375,0.1320533433,0.3053014969,0.3053014969,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Te,4.0,A3B_cF16_225_ac_b:Fe-Te +mp-1215393,Zr3Te2,-6.91086637,-0.5249236347,0.4194438089,0.4194438089,GGA,R32,A2B3_hR15_155_c_d:Te-Zr,5.0,A2B3_hR15_155_c_d:Te-Zr +mp-21273,FeTe,-6.07670609,-0.2700425383,0.0764537688,0.0764537688,GGA,P4/nmm,AB_tP4_129_a_c:Fe-Te,4.0,AB_tP4_129_a_c:Fe-Te +mp-10761,FeTe,-5.9693653475,-0.1627017958,0.1837945113,0.1837945113,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-Te,4.0,AB_hP4_194_a_c:Fe-Te +mp-21559,Zr2Te,-7.5318806617,-0.7856449439000001,0.0081033038,0.0081033038,GGA,Pnma,AB2_oP36_62_3c_6c:Te-Zr,36.0,AB2_oP36_62_3c_6c:Te-Zr +mp-582924,Zr6Fe23,-8.6526641917,-0.1665713776,0.0076459197,0.0076459197,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Zr,29.0,"Invalid WP multiplicities - A23B6_cF116_225_a5d13f_e:Fe-Zr, expected Zr2Fe45 to be Zr6Fe23" +mp-2089,ZrTe3,-5.5275445463,-1.0331399688,0.0,-0.0176167179,GGA,P2_1/m,A3B_mP8_11_3e_e:Te-Zr,8.0,A3B_mP8_11_3e_e:Te-Zr +mp-1207484,Zr4Fe,-7.969170557,0.5629941890000001,0.6505682650000001,0.6505682650000001,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Zr,10.0,AB4_cF40_227_a_e:Fe-Zr +mp-605,ZrTe5,-4.9130065367,-0.8689681872,0.0,-0.1802082081,GGA,Cmcm,A5B_oC24_63_c2f_c:Te-Zr,12.0,A5B_oC24_63_c2f_c:Te-Zr +mp-568865,ZrTe,-6.9300198588,-1.0845165971,0.0241048112,0.0047004188,GGA,Pnma,AB_oP8_62_c_c:Te-Zr,8.0,AB_oP8_62_c_c:Te-Zr +mp-1539,ZrTe,-6.95412467,-1.1086214083,0.0,-0.0194043925,GGA,P-6m2,AB_hP2_187_a_d:Te-Zr,2.0,AB_hP2_187_a_d:Te-Zr +mp-1319,ZrTe,-6.68081439,-0.8353111283,0.27331028,0.2539058875,GGA,P6_3/mmc,AB_hP4_194_a_c:Te-Zr,4.0,AB_hP4_194_a_c:Te-Zr +mp-569544,ZrTe,-6.8990533325,-1.0535500708,0.0550713375,0.035666945,GGA,P6_3/mmc,AB_hP4_194_c_a:Te-Zr,4.0,AB_hP4_194_c_a:Te-Zr +mp-1793,Zr3Te,-7.8020761988,-0.6054742529,0.0,-0.016240545,GGA,I-4,AB3_tI32_82_g_3g:Te-Zr,16.0,AB3_tI32_82_g_3g:Te-Zr +mp-1103188,Zr3Te,-7.1192493908,0.077352555,0.6828268079,0.6665862629,GGA,R-3m,AB3_hR36_166_ac_bch:Te-Zr,12.0,AB3_hR36_166_ac_bch:Te-Zr +mp-1159,Zr2Fe,-8.660942765,-0.139135275,0.0045754857,0.0045754857,GGA,I4/mcm,AB2_tI12_140_a_h:Fe-Zr,6.0,AB2_tI12_140_a_h:Fe-Zr +mp-17682,Zr2Fe,-8.6020434971,-0.0802360071,0.0634747536,0.0634747536,GGA,Fd-3m,AB2_cF96_227_e_cf:Fe-Zr,24.0,AB2_cF96_227_e_cf:Fe-Zr +mp-21165,PdSe,-4.8986967062,-0.5608000624,0.0,-0.0113267718,GGA,P4_2/m,AB_tP16_84_cej_k:Pd-Se,16.0,AB_tP16_84_cej_k:Pd-Se +mp-571383,PdSe,-4.8964344923,-0.5585378485,0.002262214,-0.0090645578,GGA,P4_2/mbc,AB_tP48_135_g2h_gi:Pd-Se,48.0,"Invalid WP multiplicities - AB_tP48_135_3g11h_6g7i:Pd-Se, expected Pd7Se10 to be PdSe" +mp-1077944,HgPd5Se,-4.5155977057,-0.2728832925,0.0,-0.0225515302,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:Hg-Pd-Se,7.0,AB5C_tP7_123_c_ai_b:Hg-Pd-Se +mp-618,Pd7Se2,-5.0720875406,-0.26642136,0.0127243613,0.0127243613,GGA,P2_1/c,A7B2_mP18_14_a3e_e:Pd-Se,18.0,"Invalid WP multiplicities - A7B2_mP18_14_a4e_e:Pd-Se, expected Pd9Se2 to be Pd7Se2" +mp-7818,Pd4Se,-5.097804921,-0.2547171775,0.0,-0.0149379535,GGA,P-42_1c,A4B_tP10_114_e_a:Pd-Se,10.0,A4B_tP10_114_e_a:Pd-Se +mp-21765,Pd17Se15,-4.9311781664000005,-0.5406574497000001,0.0,-0.0087782141,GGA,Pm-3m,A17B15_cP64_221_acfm_eij:Pd-Se,64.0,"Invalid WP multiplicities - A17B15_cP64_221_a2cf3m_eij:Pd-Se, expected Pd17Se6 to be Pd17Se15" +mp-568593,Pd34Se11,-5.0532885593,-0.2850439417,0.0185303234,0.0185303234,GGA,P2_1/c,A34B11_mP90_14_17e_a5e:Pd-Se,90.0,"Invalid WP multiplicities - A34B11_mP90_14_66e_2a17e:Pd-Se, expected Pd11Se3 to be Pd34Se11" +mp-1120759,PdSe2,-4.6401395433,-0.5829046216,0.0135864875,-0.2090379133,GGA,P2_1/c,AB2_mP6_14_a_e:Pd-Se,6.0,AB2_mP6_14_a_e:Pd-Se +mp-2418,PdSe2,-4.6537260308,-0.5964911091,0.0,-0.2226244008,GGA,Pbca,AB2_oP12_61_a_c:Pd-Se,12.0,AB2_oP12_61_a_c:Pd-Se +mp-1202782,Hg3Pd8Se9,-4.2185728933,-0.5279079496,0.0,-0.0300284254,GGA,Pmmn,A3B8C9_oP40_59_ae_2eg_befg:Hg-Pd-Se,40.0,A3B8C9_oP40_59_ae_2eg_befg:Hg-Pd-Se +mp-2503,Pd7Se4,-5.0021290527,-0.4346000909,0.0,-0.0057797455,GGA,P2_12_12,A7B4_oP22_18_a3c_abc:Pd-Se,22.0,A7B4_oP22_18_a3c_abc:Pd-Se +mp-1018722,HgSe,-2.308186575,-0.4083906537,0.033351075,-0.4083906537,GGA,P3_221,AB_hP6_154_a_b:Hg-Se,6.0,AB_hP6_154_a_b:Hg-Se +mp-820,HgSe,-2.34153765,-0.4417417287,0.0,-0.4417417287,GGA,F-43m,AB_cF8_216_a_c:Hg-Se,2.0,AB_cF8_216_a_c:Hg-Se +mp-957,HgSe,-2.1901008,-0.2903048787,0.15143685,-0.2903048787,GGA,Fm-3m,AB_cF8_225_a_b:Hg-Se,2.0,AB_cF8_225_a_b:Hg-Se +mp-1093999,Zn2Ag,-1.8276454908,-0.0436310831,0.0141022922,0.0141022922,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ag-Zn,12.0,AB2_hP12_194_f_ah:Ag-Zn +mp-862973,PmZn2Ag,-2.825727945,-0.3000815585,0.0,-0.018185885,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Pm-Zn +mp-1187946,ZnAg3,-2.4604205775,-0.0210676725,0.0072726675,0.0059948471,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Zn,4.0,A3B_tI8_139_ad_b:Ag-Zn +mp-1187952,ZnAg3,-2.46314224,-0.023789335,0.004551005,0.0032731846,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Zn,8.0,A3B_hP8_194_h_c:Ag-Zn +mp-864794,ZnAg3,-2.467693245,-0.02834034,0.0,-0.0012778204,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Zn,4.0,A3B_cP4_221_c_a:Ag-Zn +mp-982373,Pm3Zn,-3.9115940275,-0.0337513831,0.0733138292,0.0733138292,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Zn,4.0,A3B_tI8_139_ad_b:Pm-Zn +mp-1186546,Pm3Zn,-3.9215086163,-0.0436659719,0.0633992404,0.0633992404,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Zn,8.0,A3B_hP8_194_h_c:Pm-Zn +mp-1186539,PmAg3,-3.5127291187000003,-0.2006765356,0.0026192113,-0.2006765356,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Pm,8.0,A3B_hP8_194_h_c:Ag-Pm +mp-862878,PmAg3,-3.51534833,-0.2032957469,0.0,-0.2032957469,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Pm,4.0,A3B_cF16_225_ac_b:Ag-Pm +mp-30361,Zn8Ag5,-1.9312868865,-0.0666154329,0.0,-0.0208747687,GGA,I-43m,A5B8_cI52_217_ce_cg:Ag-Zn,26.0,"Invalid WP multiplicities - A5B8_cI52_217_ce_c2g:Ag-Zn, expected Zn14Ag5 to be Zn8Ag5" +mp-1186488,Pm3Ag,-4.25658563,0.0144601127,0.0822253617,0.0822253617,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Pm,4.0,AB3_tI8_139_a_bd:Ag-Pm +mp-1186499,Pm3Ag,-4.2528426438,0.018203099,0.0859683479,0.0859683479,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Pm,8.0,AB3_hP8_194_c_h:Ag-Pm +mp-982393,Pm2ZnAg,-3.6897746325,-0.2914285679,0.0,-0.1075051642,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Zn +mp-1215497,Zn3Ag,-1.6810187125,-0.0280720042,0.0152280272,0.0152280272,GGA,P-6m2,AB3_hP4_187_a_bh:Ag-Zn,4.0,AB3_hP4_187_a_bh:Ag-Zn +mp-1187969,Zn3Ag,-1.6941461763,-0.0411994679,0.0021005635,0.0021005635,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Zn,8.0,AB3_hP8_194_c_h:Ag-Zn +mp-1215724,ZnAg,-2.0898384811,-0.0436886744,0.010839887,0.010839887,GGA,P1,AB_aP18_1_9a_9a:Ag-Zn,18.0,AB_aP18_1_9a_9a:Ag-Zn +mp-1912,ZnAg,-2.095782925,-0.0496331183,0.0048954432,0.0048954432,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Zn,2.0,AB_cP2_221_a_b:Ag-Zn +mp-1215437,ZnAg,-2.06250432,-0.0163545133,0.0381740482,0.0381740482,GGA,Cmmm,AB_oC4_65_a_c:Ag-Zn,2.0,AB_oC4_65_a_c:Ag-Zn +mp-1187974,ZnAg,-2.08455764,-0.0384078333,0.0161207282,0.0161207282,GGA,P-6m2,AB_hP2_187_a_d:Ag-Zn,2.0,AB_hP2_187_a_d:Ag-Zn +mp-862732,PmZn3,-2.453638925,-0.3211956369,0.0,-0.3066403129,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Zn,8.0,AB3_hP8_194_c_h:Pm-Zn +mp-1186673,PmZnAg2,-3.13870755,-0.2198580652,0.0318305875,0.0318305875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pm-Zn,4.0,A2BC_cF16_225_c_a_b:Ag-Pm-Zn +mp-1016281,Mg7Mo,-2.548796225,0.2071550825,0.219485505,0.219485505,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Mo,8.0,A7B_hP8_187_ajk_d:Mg-Mo +mp-1185565,Mg149Mo,-1.6759138158,-0.0139979654,0.0,-0.0139979654,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Mo,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Mo, expected Mg315Mo to be Mg149Mo" +mp-1028116,CaMg14Mo,-2.0775669431,0.125881225,0.1642678386,0.1642678386,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Mo, expected CaMg18Mo to be CaMg14Mo" +mp-1028114,CaMg14Mo,-2.0732974056,0.1301507625,0.1685373761,0.1685373761,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Mo, expected CaMg26Mo to be CaMg14Mo" +mp-1184449,CaMg149,-1.6292602193,-0.0262780371,0.0,-0.0241553285,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ca-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Ca-Mg, expected CaMg315 to be CaMg149" +mp-1039086,Ca5Mg,-1.9219582517,0.0160883233,0.0426221804,0.0426221804,GGA,Cm,A5B_mC12_8_5a_a:Ca-Mg,6.0,A5B_mC12_8_5a_a:Ca-Mg +mp-1094906,Ca5Mg,-1.9234306317,0.0146159433,0.0411498004,0.0411498004,GGA,Amm2,A5B_oC12_38_2a3b_a:Ca-Mg,6.0,A5B_oC12_38_2a3b_a:Ca-Mg +mp-1039385,Ca5Mg,-1.9038680083,0.0341785667,0.0607124238,0.0607124238,GGA,P-6m2,A5B_hP6_187_agh_d:Ca-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Ca-Mg, expected Ca9Mg to be Ca5Mg" +mp-1094702,Ca5Mg,-1.9304581383,0.0075884367,0.0341222938,0.0341222938,GGA,P-62m,A5B_hP6_189_cg_a:Ca-Mg,6.0,A5B_hP6_189_cg_a:Ca-Mg +mp-1023150,CaMg6Mo,-2.5397660006,0.2668502856,0.3189752184,0.3189752184,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Mo, expected CaMg12Mo to be CaMg6Mo" +mp-1023161,CaMg6Mo,-2.64096098,0.1656553062,0.2177802391,0.2177802391,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ca-Mg-Mo,8.0,AB6C_tP8_123_a_fk_c:Ca-Mg-Mo +mp-1039439,CaMg,-1.7890689383,0.0138710267,0.0934725979,0.0934725979,GGA,C2,AB_mC12_5_ac_bc:Ca-Mg,6.0,AB_mC12_5_ac_bc:Ca-Mg +mp-1039552,CaMg,-1.7662435633,0.0366964017,0.1162979729,0.1162979729,GGA,Cm,AB_mC12_8_3a_3a:Ca-Mg,6.0,AB_mC12_8_3a_3a:Ca-Mg +mp-1039430,CaMg,-1.8161185167,-0.0131785517,0.0664230196,0.0664230196,GGA,Cm,AB_mC12_8_3a_3a:Ca-Mg,6.0,AB_mC12_8_3a_3a:Ca-Mg +mp-1039360,CaMg,-1.8023027183,0.0006372467,0.0802388179,0.0802388179,GGA,Cm,AB_mC12_8_3a_3a:Ca-Mg,6.0,AB_mC12_8_3a_3a:Ca-Mg +mp-1039350,CaMg,-1.8571719225,-0.0542319575,0.0253696137,0.0253696137,GGA,C2/m,AB_mC8_12_i_i:Ca-Mg,4.0,AB_mC8_12_i_i:Ca-Mg +mp-1038953,CaMg,-1.8368464525,-0.0339064875,0.0456950838,0.0456950838,GGA,Amm2,AB_oC12_38_2ab_a2b:Ca-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ca-Mg +mp-1039403,CaMg,-1.815578175,-0.01263821,0.0669633613,0.0669633613,GGA,Amm2,AB_oC12_38_ae_bd:Ca-Mg,12.0,AB_oC12_38_2a2e_2b2d:Ca-Mg +mp-1039468,CaMg,-1.8520576267,-0.0491176617,0.0304839096,0.0304839096,GGA,Amm2,AB_oC12_38_2ab_a2b:Ca-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ca-Mg +mp-1039493,CaMg,-1.7653852908,0.0375546742,0.1171562454,0.1171562454,GGA,Amm2,AB_oC12_38_2ab_a2b:Ca-Mg,12.0,AB_oC12_38_2a4b_4a2b:Ca-Mg +mp-1094852,CaMg,-1.8593296025,-0.0563896375,0.0232119338,0.0232119338,GGA,Pmma,AB_oP4_51_e_f:Ca-Mg,4.0,AB_oP4_51_e_f:Ca-Mg +mp-1183575,CaMg,-1.88130334,-0.078363375,0.0012381962,0.0012381962,GGA,Pmma,AB_oP4_51_e_f:Ca-Mg,4.0,AB_tP2_123_a_d:Ca-Mg +mp-1039167,CaMg,-1.7567046325,0.0462353325,0.1258369038,0.1258369038,GGA,Pmmn,AB_oP4_59_a_b:Ca-Mg,4.0,AB_oP4_59_a_b:Ca-Mg +mp-1094998,CaMg,-1.881693555,-0.07875359,0.0008479812,0.0008479812,GGA,P4/mmm,AB_tP2_123_a_d:Ca-Mg,2.0,AB_tP2_123_a_d:Ca-Mg +mp-1038862,CaMg,-1.7182599183,0.0846800467,0.1642816179,0.1642816179,GGA,P3m1,AB_hP6_156_2ab_a2b:Ca-Mg,6.0,AB_hP6_156_2ab_a2b:Ca-Mg +mp-1039120,CaMg,-1.722916405,0.08002356,0.1596251312,0.1596251312,GGA,P-3m1,AB_hP4_164_d_d:Ca-Mg,4.0,AB_hP4_164_d_d:Ca-Mg +mp-1039368,CaMg,-1.748175405,0.05476456,0.1343661312,0.1343661312,GGA,R-3m,AB_hR6_166_a_b:Ca-Mg,2.0,AB_hR6_166_a_b:Ca-Mg +mp-1039536,CaMg,-1.7091181933,0.0938217717,0.1734233429,0.1734233429,GGA,P-6m2,AB_hP6_187_ah_dg:Ca-Mg,6.0,"Invalid WP multiplicities - AB_hP6_187_ah_d2g:Ca-Mg, expected Ca3Mg5 to be CaMg" +mp-1038961,CaMg,-1.746669785,0.05627018,0.1358717513,0.1358717513,GGA,P-6m2,AB_hP2_187_a_d:Ca-Mg,2.0,AB_hP2_187_a_d:Ca-Mg +mp-1039148,CaMg,-1.882242435,-0.07930247,0.0002991012,0.0002991012,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Mg,2.0,AB_cP2_221_a_b:Ca-Mg +mp-1016235,CaMg3,-1.678498045,0.0231119625,0.1088756073,0.1088756073,GGA,Pmm2,AB3_oP4_25_a_bcd:Ca-Mg,4.0,AB3_oP4_25_a_bcd:Ca-Mg +mp-1039033,CaMg3,-1.663827225,0.0377827825,0.1235464273,0.1235464273,GGA,Imm2,AB3_oI8_44_a_bc:Ca-Mg,4.0,AB3_oI8_44_a_bc:Ca-Mg +mp-1039409,CaMg3,-1.74034623,-0.0387362225,0.0470274223,0.0470274223,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Mg,4.0,AB3_tI8_139_a_bd:Ca-Mg +mp-1039117,CaMg3,-1.6253909275,0.07621908,0.1619827248,0.1619827248,GGA,P-6m2,AB3_hP4_187_a_bh:Ca-Mg,4.0,AB3_hP4_187_a_bh:Ca-Mg +mp-1039383,CaMg3,-1.7555577362,-0.0539477287,0.0318159161,0.0318159161,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Mg,8.0,AB3_hP8_194_c_h:Ca-Mg +mp-1094922,CaMg3,-1.7311942325,-0.029584225,0.0561794198,0.0561794198,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Mg,4.0,AB3_cP4_221_a_c:Ca-Mg +mp-1094734,CaMg3,-1.7510994725,-0.049489465,0.0362741798,0.0362741798,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Mg,4.0,AB3_cF16_225_a_bc:Ca-Mg +mp-1039531,Ca2Mg,-1.8365708983,0.0339223717,0.0869900858,0.0869900858,GGA,Cm,A2B_mC12_8_4a_2a:Ca-Mg,6.0,A2B_mC12_8_4a_2a:Ca-Mg +mp-1039397,Ca2Mg,-1.88837373,-0.01788046,0.0351872542,0.0351872542,GGA,C2/m,A2B_mC12_12_2i_i:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1039467,Ca2Mg,-1.9101523117,-0.0396590417,0.0134086725,0.0134086725,GGA,C2/m,A2B_mC12_12_2i_i:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1095005,Ca2Mg,-1.8988908367,-0.0283975667,0.0246701475,0.0246701475,GGA,C2/m,A2B_mC12_12_2i_i:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1038724,Ca2Mg,-1.812453355,0.058039915,0.1111076292,0.1111076292,GGA,P-6m2,A2B_hP6_187_adg_h:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1039390,Ca2Mg,-1.8595110617,0.0109822083,0.0640499225,0.0640499225,GGA,C2/c,A2B_mC12_15_f_e:Ca-Mg,6.0,A2B_mC12_15_f_e:Ca-Mg +mp-1038760,Ca2Mg,-1.8320302817,0.0384629883,0.0915307025,0.0915307025,GGA,Amm2,A2B_oC12_38_a3b_2a:Ca-Mg,12.0,A2B_oC12_38_2a6b_4a:Ca-Mg +mp-1039421,Ca2Mg,-1.8346391767,0.0358540933,0.0889218075,0.0889218075,GGA,Cmcm,A2B_oC12_63_2c_c:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1039340,Ca2Mg,-1.8848756917,-0.0143824217,0.0386852925,0.0386852925,GGA,Cmcm,A2B_oC12_63_g_c:Ca-Mg,6.0,A2B_oC12_63_g_c:Ca-Mg +mp-1039317,Ca2Mg,-1.9009197367,-0.0304264667,0.0226412475,0.0226412475,GGA,Cmcm,A2B_oC12_63_2c_c:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1038840,Ca2Mg,-1.8770568733,-0.0065636033,0.0465041108,0.0465041108,GGA,Cmcm,A2B_oC12_63_2c_c:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1039332,Ca2Mg,-1.8400673633,0.0304259067,0.0834936208,0.0834936208,GGA,R32,A2B_hR18_155_ae_c:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Ca-Mg, expected Ca7Mg2 to be Ca2Mg" +mp-1039462,Ca2Mg,-1.797955675,0.072537595,0.1256053092,0.1256053092,GGA,P-3m1,A2B_hP6_164_2d_d:Ca-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Ca-Mg, expected Ca3Mg to be Ca2Mg" +mp-1038937,Ca2Mg,-1.849739745,0.020753525,0.0738212392,0.0738212392,GGA,P-62m,A2B_hP6_189_ag_c:Ca-Mg,6.0,A2B_hP6_189_ag_c:Ca-Mg +mp-1039227,Ca2Mg,-1.8120851217,0.0584081483,0.1114758625,0.1114758625,GGA,P6_3/mmc,A2B_hP6_194_f_c:Ca-Mg,6.0,A2B_hP6_194_f_c:Ca-Mg +mp-1038993,CaMg2,-1.6930167933,0.0423698667,0.148505295,0.1047691758,GGA,Cm,AB2_mC12_8_2a_4a:Ca-Mg,6.0,AB2_mC12_8_2a_4a:Ca-Mg +mp-1039570,CaMg2,-1.7782393333000002,-0.0428526733,0.063282755,0.0195466358,GGA,C2/m,AB2_mC12_12_i_2i:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ca-Mg, expected CaMg3 to be CaMg2" +mp-1039108,CaMg2,-1.73225261,0.00313405,0.1092694783,0.0655333592,GGA,C2/m,AB2_mC12_12_i_2i:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ca-Mg, expected CaMg3 to be CaMg2" +mp-2432,CaMg2,-1.8415220883,-0.1061354283,0.0,-0.0437361192,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ca-Mg,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Ca-Mg, expected Ca2Mg7 to be CaMg2" +mp-1038946,CaMg2,-1.7315751700000002,0.00381149,0.1099469183,0.0662107992,GGA,C2/c,AB2_mC12_15_e_f:Ca-Mg,6.0,AB2_mC12_15_e_f:Ca-Mg +mp-1039441,CaMg2,-1.6992496408000002,0.0361370192,0.1422724475,0.0985363283,GGA,Amm2,AB2_oC12_38_2a_a3b:Ca-Mg,12.0,AB2_oC12_38_4a_2a6b:Ca-Mg +mp-1039330,CaMg2,-1.6816515683,0.0537350917,0.15987052,0.1161344008,GGA,Cmcm,AB2_oC12_63_c_2c:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ca-Mg, expected CaMg3 to be CaMg2" +mp-1039382,CaMg2,-1.7678762583,-0.0324895983,0.07364583,0.0299097108,GGA,Cmcm,AB2_oC12_63_c_2c:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ca-Mg, expected CaMg3 to be CaMg2" +mp-1039393,CaMg2,-1.7746997050000002,-0.039313045,0.0668223833,0.0230862642,GGA,Cmcm,AB2_oC12_63_c_g:Ca-Mg,6.0,AB2_oC12_63_c_g:Ca-Mg +mp-1095016,CaMg2,-1.79088848,-0.05550182,0.0506336083,0.0068974892,GGA,I4/mmm,AB2_tI6_139_a_e:Ca-Mg,3.0,AB2_tI6_139_a_e:Ca-Mg +mp-1038991,CaMg2,-1.6305471467,0.1048395133,0.2109749417,0.1672388225,GGA,P-3m1,AB2_hP6_164_d_2d:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Ca-Mg, expected CaMg3 to be CaMg2" +mp-1039529,CaMg2,-1.83444167,-0.09905501,0.0070804183,-0.0366557008,GGA,R-3m,AB2_hR18_166_c_ad:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_hR18_166_c_a2d:Ca-Mg, expected Ca2Mg7 to be CaMg2" +mp-1039233,CaMg2,-1.6427225317,0.0926641283,0.1987995567,0.1550634375,GGA,P-6m2,AB2_hP6_187_g_adh:Ca-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Ca-Mg, expected CaMg3 to be CaMg2" +mp-1039528,CaMg2,-1.7216066067,0.0137800533,0.1199154817,0.0761793625,GGA,P-62m,AB2_hP6_189_c_ag:Ca-Mg,6.0,AB2_hP6_189_c_ag:Ca-Mg +mp-1039199,CaMg2,-1.63760685,0.09777981,0.2039152383,0.1601791192,GGA,P6_3/mmc,AB2_hP6_194_c_f:Ca-Mg,6.0,AB2_hP6_194_c_f:Ca-Mg +mp-1183430,CaMg2,-1.839228145,-0.103841485,0.0022939433,-0.0414421758,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Mg,6.0,AB2_cF24_227_a_d:Ca-Mg +mp-1023508,CaMg15,-1.6129693838,0.0126431556,0.0525702876,0.0525702876,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Ca-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Ca-Mg, expected CaMg27 to be CaMg15" +mp-1016223,Mg3Mo,-3.5748135825,0.3368089825,0.3473779161,0.3473779161,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Mo,4.0,A3B_oP4_25_abc_d:Mg-Mo +mp-978287,Mg3Mo,-3.6061912425,0.3054313225,0.3160002561,0.3160002561,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Mo,4.0,A3B_cP4_221_c_a:Mg-Mo +mp-1039411,Ca3Mg,-1.89219339,0.0120765325,0.0518773181,0.0518773181,GGA,Imm2,A3B_oI8_44_ac_b:Ca-Mg,4.0,A3B_oI8_44_ac_b:Ca-Mg +mp-1094735,Ca3Mg,-1.9038472075,0.000422715,0.0402235006,0.0402235006,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Mg,4.0,A3B_tI8_139_ad_b:Ca-Mg +mp-1039142,Ca3Mg,-1.8640755525,0.04019437,0.0799951556,0.0799951556,GGA,P-6m2,A3B_hP4_187_ah_b:Ca-Mg,4.0,A3B_hP4_187_ah_b:Ca-Mg +mp-1094989,Ca3Mg,-1.9126170512,-0.0083471287,0.0314536569,0.0314536569,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Mg,8.0,A3B_hP8_194_h_c:Ca-Mg +mp-1094857,Ca3Mg,-1.91573507,-0.0114651475,0.0283356381,0.0283356381,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Mg,4.0,A3B_cP4_221_c_a:Ca-Mg +mp-1039230,Ca3Mg,-1.880131275,0.0241386475,0.0639394331,0.0639394331,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Mg,4.0,A3B_cF16_225_ac_b:Ca-Mg +mp-1016276,CaMg7,-1.6398874263,0.0110576025,0.0662635721,0.0662635721,GGA,P-6m2,AB7_hP8_187_a_djk:Ca-Mg,8.0,AB7_hP8_187_a_djk:Ca-Mg +mp-1038866,CaMg5,-1.6458807333,0.0219526217,0.087344483,0.087344483,GGA,Cm,AB5_mC12_8_a_5a:Ca-Mg,6.0,AB5_mC12_8_a_5a:Ca-Mg +mp-1038987,CaMg5,-1.6456151292,0.0222182258,0.0876100872,0.0876100872,GGA,Amm2,AB5_oC12_38_a_2a3b:Ca-Mg,12.0,"Invalid WP multiplicities - AB5_oC12_38_a_4a6b:Ca-Mg, expected CaMg10 to be CaMg5" +mp-1039318,CaMg5,-1.656972245,0.01086111,0.0762529714,0.0762529714,GGA,R32,AB5_hR18_155_a_ce:Ca-Mg,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Ca-Mg, expected CaMg10 to be CaMg5" +mp-1039028,CaMg5,-1.5822659167,0.0855674383,0.1509592997,0.1509592997,GGA,P-6m2,AB5_hP6_187_a_dgh:Ca-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Ca-Mg, expected CaMg9 to be CaMg5" +mp-1039273,CaMg5,-1.6903280550000002,-0.0224947,0.0428971614,0.0428971614,GGA,P-62m,AB5_hP6_189_a_cg:Ca-Mg,6.0,AB5_hP6_189_a_cg:Ca-Mg +mp-1185895,MgMo3,-8.1657779225,0.3685296725,0.3720526504,0.3720526504,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Mo,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Mo, expected MgMo5 to be MgMo3" +mp-1023496,Mg15Mo,-2.0761623581,0.1019533206,0.1151644876,0.1151644876,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Mo,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Mo, expected Mg27Mo to be Mg15Mo" +mp-1225796,Cu4Se3,-4.07172001,-0.2310684224,0.1015888798,0.1015888798,GGA,R-3m,A4B3_hR21_166_2c_ac:Cu-Se,7.0,"Invalid WP multiplicities - A4B3_hR21_166_4c_ac:Cu-Se, expected Cu8Se3 to be Cu4Se3" +mp-684606,Cu27Se20,-4.1191087596,-0.276623448,0.0548969993,0.0548969993,GGA,R3m,A27B20_hR141_160_27a_20a:Cu-Se,47.0,A27B20_hR141_160_27a_20a:Cu-Se +mp-20683,Cu3Se2,-4.179859459,-0.3219708659,0.0,-0.0344721517,GGA,P-42_1m,A3B2_tP10_113_ae_e:Cu-Se,10.0,A3B2_tP10_113_ae_e:Cu-Se +mp-32857,Cu13Se8,-4.0995379667,-0.2301580366,0.0764808833,0.0764808833,GGA,F-43m,A13B8_cF84_216_afg_2e:Cu-Se,21.0,A13B8_cF84_216_afg_2e:Cu-Se +mp-571486,CuSe,-4.1569324667,-0.3593733928,0.0,-0.0025109486,GGA,Cmcm,AB_oC24_63_cf_cf:Cu-Se,12.0,AB_oC24_63_cf_cf:Cu-Se +mp-580226,CuSe,-4.11257622,-0.3150171462,0.0443562467,0.0418452981,GGA,P4/nmm,AB_tP4_129_a_c:Cu-Se,4.0,AB_tP4_129_a_c:Cu-Se +mp-582060,CuSe,-3.9302238742,-0.1326648003,0.2267085925,0.2241976439,GGA,P6_3/mmc,AB_hP12_194_cf_de:Cu-Se,12.0,AB_hP12_194_c2f_d2e:Cu-Se +mp-488,CuSe,-4.1561874792,-0.3586284053,0.0007449875,-0.0017659611,GGA,P6_3/mmc,AB_hP12_194_cf_de:Cu-Se,12.0,AB_hP12_194_cf_de:Cu-Se +mp-568998,CuSe,-3.9391493792,-0.1415903053,0.2177830875,0.2152721389,GGA,P6_3/mmc,AB_hP12_194_cf_de:Cu-Se,12.0,"Invalid WP multiplicities - AB_hP12_194_c2f_2d2e:Cu-Se, expected Cu5Se6 to be CuSe" +mp-685189,Cu29Se19,-4.0839622083,-0.2235598853,0.0950571174,0.0950571174,GGA,R3m,A29B19_hR144_160_29a_19a:Cu-Se,48.0,A29B19_hR144_160_29a_19a:Cu-Se +mp-684605,Cu17Se10,-4.0694846137,-0.1937206075,0.1044005646,0.1044005646,GGA,Cm,A17B10_mC54_8_17a_10a:Cu-Se,27.0,A17B10_mC54_8_17a_10a:Cu-Se +mp-1225742,CuAu4,-3.4259858,0.012961134,0.032216132,0.032216132,GGA,R-3m,A4B_hR15_166_2c_a:Au-Cu,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Cu, expected CuAu6 to be CuAu4" +mp-684923,Cu25Se26,-4.1519276023,-0.3602831872,0.0013571254,0.0013571254,GGA,Pm,A25B26_mP153_6_11a12b26c_13a13b26c:Cu-Se,153.0,"Invalid WP multiplicities - A25B26_mP153_6_11a12b31c_13a13b30c:Cu-Se, expected Cu85Se86 to be Cu25Se26" +mp-2793,AuSe,-3.7217636225,-0.3368668837,0.0,-0.3368668837,GGA,C2/m,AB_mC8_12_ad_i:Au-Se,4.0,AB_mC8_12_ac_i:Au-Se +mp-570325,AuSe,-3.712211585,-0.3273148462,0.0095520375,-0.3273148462,GGA,C2/m,AB_mC16_12_2i_2i:Au-Se,8.0,"Invalid WP multiplicities - AB_mC16_12_2i_3i:Au-Se, expected Au2Se3 to be AuSe" +mp-10678,AuSe,-3.4693846275,-0.0844878887,0.252378995,-0.0844878887,GGA,P6_3/mmc,AB_hP4_194_a_c:Au-Se,4.0,AB_hP4_194_a_c:Au-Se +mp-30151,CuAuSe4,-3.9527124667,-0.3932567032,0.0,-0.0820122279,GGA,P2_1/m,ABC4_mP12_11_a_e_2ef:Au-Cu-Se,12.0,ABC4_mP12_11_a_e_2ef:Au-Cu-Se +mp-1225761,Cu4Au,-3.869343792,0.064797944,0.094049346,0.094049346,GGA,R-3m,AB4_hR15_166_a_2c:Au-Cu,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Au-Cu, expected Cu6Au to be Cu4Au" +mp-684970,Cu19Se11,-4.0598157333,-0.1818173005,0.1133226599,0.1133226599,GGA,P1,A19B11_aP30_1_19a_11a:Cu-Se,30.0,A19B11_aP30_1_19a_11a:Cu-Se +mp-684525,Cu2Se,-4.0416451733,-0.1435369008,0.1247721542,0.1247721542,GGA,Cm,A2B_mC24_8_8a_4a:Cu-Se,12.0,A2B_mC24_8_8a_4a:Cu-Se +mp-1097707,Cu2Se,-4.0837835573,-0.1856752847,0.0826337702,0.0826337702,GGA,P2_1/c,A2B_mP144_14_24e_12e:Cu-Se,144.0,"Invalid WP multiplicities - A2B_mP144_14_96e_46e:Cu-Se, expected Cu48Se23 to be Cu2Se" +mp-684653,Cu2Se,-4.0347211117,-0.1366128391,0.1316962158,0.1316962158,GGA,Pmn2_1,A2B_oP6_31_2a_a:Cu-Se,6.0,"Invalid WP multiplicities - A2B_oP6_31_3a_a:Cu-Se, expected Cu3Se to be Cu2Se" +mp-1225805,Cu2Se,-4.0481900867,-0.1500818141,0.1182272408,0.1182272408,GGA,Imm2,A2B_oI6_44_c_a:Cu-Se,3.0,A2B_oI6_44_c_a:Cu-Se +mp-1021499,Cu2Se,-4.0547267483,-0.1566184758,0.1116905792,0.1116905792,GGA,P4_32_12,A2B_tP12_96_b_a:Cu-Se,12.0,A2B_tP12_96_b_a:Cu-Se +mp-22297,Cu2Se,-4.0170338667,-0.1189255941,0.1493834608,0.1493834608,GGA,F-43m,A2B_cF12_216_ac_b:Cu-Se,3.0,A2B_cF12_216_ac_b:Cu-Se +mp-16366,Cu2Se,-4.0333341567,-0.1352258841,0.1330831708,0.1330831708,GGA,Fm-3m,A2B_cF12_225_c_a:Cu-Se,3.0,A2B_cF12_225_c_a:Cu-Se +mp-2258,Cu3Au,-3.929439755,-0.0365642525,0.0,-0.012495505,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Cu,4.0,AB3_cP4_221_a_c:Au-Cu +mp-582681,CuAu,-3.7255778155,-0.0390334805,0.0091040145,-0.0119342305,GGA,Imma,AB_oI40_74_5e_5e:Au-Cu,20.0,"Invalid WP multiplicities - AB_oI40_74_7e_10e:Au-Cu, expected Cu10Au7 to be CuAu" +mp-522,CuAu,-3.73468183,-0.048137495,0.0,-0.021038245,GGA,P4/mmm,AB_tP2_123_a_d:Au-Cu,2.0,AB_tP2_123_a_d:Au-Cu +mp-1225677,CuAu,-3.662509385,0.02403495,0.072172445,0.0511342,GGA,R-3m,AB_hR6_166_a_b:Au-Cu,2.0,AB_hR6_166_a_b:Au-Cu +mp-2000,CuSe2,-4.0949209033,-0.3979110282,0.0,-0.1529184609,GGA,Pnnm,AB2_oP6_58_a_g:Cu-Se,6.0,AB2_oP6_58_a_g:Cu-Se +mp-2280,CuSe2,-4.0908213158,-0.3938114407,0.0040995875,-0.1488188734,GGA,Pa-3,AB2_cP12_205_a_c:Cu-Se,12.0,AB2_cP12_205_a_c:Cu-Se +mp-685107,Cu9Se5,-4.0765811993,-0.192837098,0.0946368895,0.0946368895,GGA,P1,A9B5_aP14_1_9a_5a:Cu-Se,14.0,"Invalid WP multiplicities - A9B5_mC28_5_a5c_b3c:Cu-Se, expected Cu11Se7 to be Cu9Se5" +mp-673655,Cu9Se5,-4.090665075,-0.2069209737,0.0805530138,0.0805530138,GGA,P-1,A9B5_aP28_2_9i_5i:Cu-Se,28.0,"Invalid WP multiplicities - A9B5_aP28_2_16i_8i:Cu-Se, expected Cu2Se to be Cu9Se5" +mp-1173070,Cu9Se5,-4.0792092929,-0.1954651916,0.0920087959,0.0920087959,GGA,C2,A9B5_mC28_5_a4c_b2c:Cu-Se,14.0,"Invalid WP multiplicities - A9B5_mC28_5_a5c_b3c:Cu-Se, expected Cu11Se7 to be Cu9Se5" +mp-1184018,CuAu3,-3.4925207725,-0.012307605,0.0117611425,0.0117611425,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Cu,4.0,A3B_tI8_139_ad_b:Au-Cu +mp-1184004,CuAu3,-3.4884048725,-0.008191705,0.0158770425,0.0158770425,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Cu,8.0,A3B_hP8_194_h_c:Au-Cu +mp-2103,CuAu3,-3.497847415,-0.0176342475,0.0064345,0.0064345,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Cu,4.0,A3B_cP4_221_c_a:Au-Cu +mp-673255,Cu9Se8,-4.1526062771,-0.337303227,0.0110694226,0.0110694226,GGA,P1,A9B8_aP17_1_9a_8a:Cu-Se,17.0,A9B8_aP17_1_9a_8a:Cu-Se +mp-936248,Cu9Se8,-4.0053653029,-0.1900622529,0.1583103968,0.1583103968,GGA,P1,A9B8_aP17_1_9a_8a:Cu-Se,17.0,A9B8_aP17_1_9a_8a:Cu-Se +mp-1341349,Cu9Se8,-4.1161398159,-0.3008367658,0.0475358838,0.0475358838,GGA,P1,A9B8_aP17_1_9a_8a:Cu-Se,17.0,A9B8_aP17_1_9a_8a:Cu-Se +mp-1186502,Pm3Er,-4.6869107275,0.0179257169,0.0179257169,0.0179257169,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Pm,4.0,AB3_tI8_139_a_bd:Er-Pm +mp-977053,Pm3Er,-4.6821917437,0.0226447006,0.0226447006,0.0226447006,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Pm,8.0,AB3_hP8_194_c_h:Er-Pm +mp-1186495,Pm3Er,-4.695578445,0.0092579994,0.0092579994,0.0092579994,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pm,4.0,AB3_cP4_221_a_c:Er-Pm +mp-1186559,PmErAl2,-4.576395615,-0.3740424169,0.0087238781,0.0087238781,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Er-Pm,4.0,A2BC_cF16_225_c_a_b:Al-Er-Pm +mp-1186563,PmEr3,-4.5854109925,0.0280136956,0.0280136956,0.0280136956,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Pm,4.0,A3B_tI8_139_ad_b:Er-Pm +mp-1186568,PmEr3,-4.5983141975,0.0151104906,0.0151104906,0.0151104906,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Pm,8.0,A3B_hP8_194_h_c:Er-Pm +mp-1186551,PmEr3,-4.5884869325,0.0249377556,0.0249377556,0.0249377556,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Pm,4.0,A3B_cP4_221_c_a:Er-Pm +mp-863671,Pm2CuRu,-5.92181502,-0.2031415563,0.0,-0.1612953735,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Pm-Ru +mp-1186511,Pm3Cu,-4.43378491,0.1539234994,0.1957696821,0.1957696821,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Pm,4.0,AB3_tI8_139_a_bd:Cu-Pm +mp-863677,PmCu3,-4.3875791312,-0.1255385481,0.0,-0.1255385481,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Pm,8.0,A3B_hP8_194_h_c:Cu-Pm +mp-1250,Lu2In,-4.2588604333,-0.32766551,0.0,-0.0227406958,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Lu,6.0,AB2_hP6_194_c_ad:In-Lu +mp-1207089,LuIn,-4.02133869,-0.385021565,0.0,-0.0096973342,GGA,P4/mmm,AB_tP2_123_a_d:In-Lu,2.0,AB_tP2_123_a_d:In-Lu +mp-977,LuIn3,-3.5192803925,-0.325279965,0.0,-0.056283625,GGA,Pm-3m,A3B_cP4_221_c_a:In-Lu,4.0,A3B_cP4_221_c_a:In-Lu +mp-1185170,La3Lu,-4.8027555375,0.0294874212,0.0294874212,0.0294874212,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Lu,4.0,A3B_tI8_139_ad_b:La-Lu +mp-1185068,LaLuIn2,-4.186481395,-0.4464001238,0.0024166375,0.0024166375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-La-Lu,4.0,A2BC_cF16_225_c_a_b:In-La-Lu +mp-1210556,Lu5In4,-4.1154881033,-0.3808783789,0.0,-0.0149754989,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:In-Lu,18.0,A4B5_hP18_193_bg_dg:In-Lu +mp-1206287,LuIn2,-3.7001011133,-0.3586617867,0.0,-0.013467955,GGA,Cmmm,A2B_oC12_65_acg_h:In-Lu,6.0,A2B_oC12_65_acg_h:In-Lu +mp-1188644,Lu5In3,-4.1928614112,-0.3353859375,0.0122343983,0.0122343983,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:In-Lu,16.0,A3B5_hP16_193_g_dg:In-Lu +mp-1185478,Lu3In,-4.318425165,-0.2397913425,0.00595779,0.00595779,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Lu,8.0,AB3_hP8_194_c_h:In-Lu +mp-976949,Lu3In,-4.32263639,-0.2440025675,0.001746565,0.001746565,GGA,Pm-3m,AB3_cP4_221_a_c:In-Lu,4.0,AB3_cP4_221_a_c:In-Lu +mp-1226077,CoAu4,-3.889184228,0.151584931,0.151584931,0.151584931,GGA,R-3m,A4B_hR15_166_2c_a:Au-Co,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Co, expected CoAu6 to be CoAu4" +mp-1097104,Be2CoAu,-2.4681948725,1.9970615087,2.2269494397,2.2269494397,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Co,4.0,AB2C_oI8_71_a_e_b:Au-Be-Co +mp-1206590,CoAu3,-3.9979868575,0.2345040912,0.2345040912,0.2345040912,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Co,4.0,A3B_cP4_221_c_a:Au-Co +mp-1078899,LuNi,-5.6732361288,-0.5226925287,0.0,-0.1341770813,GGA,Pnma,AB_oP8_62_c_c:Lu-Ni,8.0,AB_oP8_62_c_c:Lu-Ni +mp-1202260,Lu2Ni17,-5.8576254871,-0.2100347187,0.0048743076,0.0048743076,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Lu-Ni,38.0,A2B17_hP38_194_bc_fgjk:Lu-Ni +mp-2130,LuNi2,-5.8784285567,-0.5180205967,0.0,-0.0865380198,GGA,Fd-3m,AB2_cF24_227_a_d:Lu-Ni,6.0,AB2_cF24_227_a_d:Lu-Ni +mp-1220081,Ni4Ru,-6.37442055,0.104569302,0.104569302,0.104569302,GGA,R-3m,A4B_hR15_166_2c_a:Ni-Ru,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ni-Ru, expected Ni6Ru to be Ni4Ru" +mp-1185497,LuNi3,-5.812589845,-0.347249705,0.0818969058,0.0818969058,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Ni,4.0,AB3_cP4_221_a_c:Lu-Ni +mp-1219922,NiRu,-7.371514955,0.155754655,0.155754655,0.155754655,GGA,P-6m2,AB_hP2_187_a_d:Ni-Ru,2.0,AB_hP2_187_a_d:Ni-Ru +mp-1210828,Lu4Ni,-4.534580817,0.238206935,0.4472839465,0.4472839465,GGA,Fd-3m,A4B_cF40_227_e_a:Lu-Ni,10.0,A4B_cF40_227_e_a:Lu-Ni +mp-865335,Lu2NiRu,-6.5490784275,-0.5249683625,0.0,-0.0292075956,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Lu-Ni-Ru +mp-11491,LuNi5,-5.910544945,-0.340272625,0.0,-0.0473186315,GGA,P6/mmm,AB5_hP6_191_a_cg:Lu-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Lu-Ni, expected LuNi8 to be LuNi5" +mp-861646,ThCdRh2,-6.3809630575,-0.61462212,0.0010468775,0.0010468775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Th,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Th +mp-1107,Th7Rh3,-7.978637149,-0.579644013,0.0,-0.0065618745,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Rh-Th,20.0,A3B7_hP20_186_c_b2c:Rh-Th +mp-2509,ThRh3,-8.094381425,-0.7176859600000001,0.0,-0.1020169625,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Th,4.0,A3B_cP4_221_c_a:Rh-Th +mp-30499,Th6Cd7,-4.0504318004,-0.1317104296,0.0136844731,0.0136844731,GGA,Pbam,A7B6_oP26_55_agi_g2h:Cd-Th,26.0,A7B6_oP26_55_agi_g2h:Cd-Th +mp-1210,ThCd2,-3.26655866,-0.1800127367,0.0,-0.039783922,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Th,3.0,A2B_hP3_191_c_b:Cd-Th +mp-1025443,ThCd3,-2.6913976475,-0.145765765,0.0,-0.0005798738,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Th,8.0,A3B_hP8_194_h_c:Cd-Th +mp-1187405,Th3Cd,-5.8021081,-0.0109919725,0.0565128037,0.0565128037,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Th,4.0,AB3_tI8_139_a_bd:Cd-Th +mp-1187057,Th3Rh,-7.4511902925,-0.0497196375,0.43331704,0.43331704,GGA,I4/mmm,AB3_tI8_139_a_bd:Rh-Th,4.0,AB3_tI8_139_a_bd:Rh-Th +mp-1194521,Th6Cd23,-2.3765237855,-0.1106750276,0.0169268845,0.0169268845,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Cd-Th,29.0,A23B6_cF116_225_ad2f_e:Cd-Th +mp-12755,ThRh,-8.3442199575,-0.9551368975,0.0,-0.2439030752,GGA,Cmcm,AB_oC8_63_c_c:Rh-Th,4.0,AB_oC8_63_c_c:Rh-Th +mp-1202085,ThCd5,-2.0803484758,-0.0756306342,0.0350183485,0.0350183485,GGA,P6_3/mmc,A5B_hP36_194_afghk_h:Cd-Th,36.0,A5B_hP36_194_afghk_h:Cd-Th +mp-568337,ThRh2,-8.20171666,-0.8208919967,0.0,-0.0240557242,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Rh-Th,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:Rh-Th, expected ThRh3 to be ThRh2" +mp-1204208,ThCd11,-1.5393360011,-0.0755322003,0.0,-0.0269436119,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Th,36.0,A11B_cP36_221_agij_c:Cd-Th +mp-1219493,ReMo3,-11.1844402575,0.0609291212,0.0651059806,0.0651059806,GGA,Cmmm,A3B_oC8_65_bk_c:Mo-Re,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Mo-Re, expected ReMo5 to be ReMo3" +mp-1219517,ReMo3,-10.9369765525,0.3083928262,0.3125696856,0.3125696856,GGA,R-3m,A3B_hR12_166_ac_b:Mo-Re,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Mo-Re, expected ReMo5 to be ReMo3" +mp-974420,Re3Mo,-11.9226261625,0.1221817538,0.1347123319,0.1347123319,GGA,I4/mmm,AB3_tI8_139_a_bd:Mo-Re,4.0,AB3_tI8_139_a_bd:Mo-Re +mp-1219135,Re3Mo,-11.9276169375,0.1171909788,0.1297215569,0.1297215569,GGA,P-6m2,AB3_hP4_187_a_bh:Mo-Re,4.0,AB3_hP4_187_a_bh:Mo-Re +mp-974589,Re3Mo,-11.923953105,0.1208548113,0.1333853894,0.1333853894,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mo-Re,8.0,AB3_hP8_194_c_h:Mo-Re +mp-977353,Ta2ReMo,-12.0922121,-0.3407789612,0.0,-0.1817442962,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Re-Ta,4.0,ABC2_cF16_225_a_b_c:Mo-Re-Ta +mp-1219485,ReMo,-11.54035824,0.1047304075,0.1130841262,0.1130841262,GGA,Cmmm,AB_oC4_65_a_c:Mo-Re,2.0,AB_oC4_65_a_c:Mo-Re +mp-1219297,Re3Mo2,-11.738025858,0.066950497,0.0769749595,0.0769749595,GGA,Cmm2,A2B3_oC60_35_abd2f_2d3e2f:Mo-Re,30.0,"Invalid WP multiplicities - A2B3_oC60_35_abd4f_2d3e4f:Mo-Re, expected Re13Mo10 to be Re3Mo2" +mp-1217894,TaRe,-12.351038725,-0.1998863175,0.0,-0.05446887,GGA,Cmmm,AB_oC4_65_a_c:Re-Ta,2.0,AB_oC4_65_a_c:Re-Ta +mp-1093870,TaRe2Mo,-7.083806305,4.8143142225,4.9909689922,4.9909689922,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Re-Ta,4.0,AB2C_oI8_71_a_e_b:Mo-Re-Ta +mp-12662,Re24Mo5,-12.1826855686,-0.0138268448,0.0,-0.0138268448,GGA,I-43m,A5B24_cI58_217_ac_2g:Mo-Re,29.0,A5B24_cI58_217_ac_2g:Mo-Re +mp-1187203,Ta3Re,-12.22259119,-0.2181261713,0.0,-0.1181830125,GGA,Fm-3m,AB3_cF16_225_a_bc:Re-Ta,4.0,AB3_cF16_225_a_bc:Re-Ta +mp-867901,ScTaTc2,-10.0531914575,-0.3253103013,0.0379200503,0.0379200503,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sc-Ta-Tc,4.0,ABC2_cF16_225_a_b_c:Sc-Ta-Tc +mp-1071835,DyCu2,-4.53840997,-0.27000991,0.0,-0.0504290617,GGA,Imma,A2B_oI12_74_h_e:Cu-Dy,6.0,A2B_oI12_74_h_e:Cu-Dy +mp-1225716,DyCu7,-4.2578108025,-0.0951566112,0.0480404813,0.0480404813,GGA,Pmmm,A7B_oP24_47_agh2i2jk2x_bj:Cu-Dy,24.0,"Invalid WP multiplicities - A7B_oP24_47_agh4i3j2k5x_b2j:Cu-Dy, expected Dy5Cu41 to be DyCu7" +mp-1183851,DyOs3,-9.1619052663,0.4103170162,0.6416625675000001,0.6416625675000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Os,8.0,AB3_hP8_194_c_h:Dy-Os +mp-1189887,Dy3Os,-6.5186544831,-0.2567224956,0.0,-0.14104972,GGA,Pnma,A3B_oP16_62_cd_c:Dy-Os,16.0,A3B_oP16_62_cd_c:Dy-Os +mp-1194041,Dy6Cu23,-4.3995823617,-0.1953591048,0.0146587371,0.0146587371,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Cu-Dy,29.0,A23B6_cF116_225_ad2f_e:Cu-Dy +mp-864959,Dy2CuOs,-6.399417255,-0.26438031,0.0089660699,0.0089660699,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Dy-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Dy-Os +mp-1225307,DyCu5,-4.3747328217,-0.1909294567,0.0,-0.0335568444,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Dy,6.0,A5B_hP6_191_cg_a:Cu-Dy +mp-30578,DyCu5,-4.3702881733,-0.1864848083,0.0044446483,-0.0291121961,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Dy,6.0,A5B_cF24_216_ae_c:Cu-Dy +mp-2334,DyCu,-4.601228995,-0.24823224,0.0,-0.0457248075,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Dy,2.0,AB_cP2_221_a_b:Cu-Dy +mp-1102508,DyOs2,-9.3289679683,-0.308460735,0.0,-0.1943618481,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Os,12.0,AB2_hP12_194_f_ah:Dy-Os +mp-1219908,PdPt,-5.67029985,-0.044792285,0.0,-0.0324873633,GGA,R-3m,AB_hR6_166_a_b:Pd-Pt,2.0,AB_hR6_166_a_b:Pd-Pt +mp-1186450,PdPt3,-5.866777825,-0.0184573825,0.00393876,0.00393876,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Pt,4.0,AB3_tI8_139_a_bd:Pd-Pt +mp-1096175,CdPd2Pt,-2.3563870475,1.9820596275,2.2207604367,2.2207604367,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pd-Pt,4.0,AB2C_oI8_71_a_e_b:Cd-Pd-Pt +mp-1096620,Cd2PdPt,-1.802606635,1.4715920275,1.8297005775,1.8297005775,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:Cd-Pd-Pt +mp-1183778,DyRu3,-7.9373874075,0.1701112075,0.4149864994,0.4149864994,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Ru,4.0,AB3_cP4_221_a_c:Dy-Ru +mp-1105019,DyGa3Ru,-5.180565354,-0.5874698645,0.0,-0.0379000026,GGA,Pm-3m,AB3C_cP15_221_d_ag_c:Dy-Ga-Ru,15.0,AB3C_cP15_221_d_ag_c:Dy-Ga-Ru +mp-1206285,Dy3Ru2,-6.7535327,-0.27969958,0.0683477363,0.0683477363,GGA,P6_3/m,A3B2_hP10_176_h_bc:Dy-Ru,10.0,A3B2_hP10_176_h_bc:Dy-Ru +mp-30622,Dy5Ru2,-6.2976730393,-0.3572817136,0.0,-0.0332011385,GGA,C2/c,A5B2_mC28_15_e2f_f:Dy-Ru,14.0,"Invalid WP multiplicities - A5B2_mC28_15_e3f_f:Dy-Ru, expected Dy7Ru2 to be Dy5Ru2" +mp-1101878,DyRu2,-8.0450310292,-0.3265003892,0.0,-0.1597689228,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Ru,12.0,AB2_hP12_194_f_ah:Dy-Ru +mp-1105841,Dy3Ru,-6.0975444825,-0.3238537175,0.0,-0.0112322181,GGA,Pnma,A3B_oP16_62_cd_c:Dy-Ru,16.0,A3B_oP16_62_cd_c:Dy-Ru +mp-22627,Dy2(Ga3Ru)3,-5.1322823868,-0.5401648509,0.0,-0.0076499725,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Ru,28.0,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Ru +mp-1213672,Dy3Ga15Ru4,-4.8978665728,-0.5188024357000001,0.0,-0.0063846018,GGA,Pnma,A3B15C4_oP88_62_3c_5c5d_2d:Dy-Ga-Ru,88.0,A3B15C4_oP88_62_3c_5c5d_2d:Dy-Ga-Ru +mp-631309,LiHg2Os,-2.7399443775,0.6959683792,0.8828704388,0.8828704388,GGA,F-43m,A2BC_cF16_216_ac_b_d:Hg-Li-Os,4.0,A2BC_cF16_216_ac_b_d:Hg-Li-Os +mp-978009,HgOs,-4.77404022,0.9914836775,0.9914836775,0.9914836775,GGA,P-6m2,AB_hP2_187_a_d:Hg-Os,2.0,AB_hP2_187_a_d:Hg-Os +mp-1216626,Tm(CrFe5)2,-8.3509092354,-0.0061290459,0.0290173556,0.0290173556,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Tm,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Tm +mp-1017511,Cr3Fe,-9.0870656175,0.2702252875,0.2702252875,0.2702252875,GGA,I4/mmm,A3B_tI8_139_ad_b:Cr-Fe,4.0,A3B_tI8_139_ad_b:Cr-Fe +mp-1008285,Cr3Fe,-9.097880265,0.25941064,0.25941064,0.25941064,GGA,Pm-3m,A3B_cP4_221_c_a:Cr-Fe,4.0,A3B_cP4_221_c_a:Cr-Fe +mp-1008282,Cr3Fe,-9.2304990925,0.1267918125,0.1267918125,0.1267918125,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-Fe,4.0,A3B_cF16_225_ac_b:Cr-Fe +mp-1193308,Tm6Fe23,-7.7297542214,-0.0861162776,0.0084154231,0.0084154231,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Tm,29.0,A23B6_cF116_225_ad2f_e:Fe-Tm +mp-1018081,CrFe3,-8.71577486,0.050002915,0.050002915,0.050002915,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Fe,4.0,AB3_cP4_221_a_c:Cr-Fe +mp-1018067,CrFe3,-8.70210365,0.063674125,0.063674125,0.063674125,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Fe,4.0,AB3_cF16_225_a_bc:Cr-Fe +mp-1226230,CrFe4,-8.678655054,0.027971408,0.027971408,0.027971408,GGA,Fmmm,AB4_oF20_69_a_2g:Cr-Fe,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Cr-Fe, expected CrFe6 to be CrFe4" +mp-1077708,Cr2Fe,-8.9694619433,0.28924344,0.28924344,0.28924344,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Fe,6.0,A2B_cF24_227_c_b:Cr-Fe +mp-30640,Tm2Fe17,-8.0725554379,-0.022974837,0.0251202388,0.0251202388,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Tm,38.0,A17B2_hP38_194_fgjk_bc:Fe-Tm +mp-1208166,Tm4Fe,-4.846546914,0.4281256667,0.4710601928,0.4710601928,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Tm,10.0,AB4_cF40_227_a_e:Fe-Tm +mp-1226211,CrFe,-8.96870067,0.09283367,0.09283367,0.09283367,GGA,Cmmm,AB_oC4_65_a_c:Cr-Fe,2.0,AB_oC4_65_a_c:Cr-Fe +mp-1103015,TmFe3,-7.5857005683,-0.114225805,0.0,-0.0068894896,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Tm,12.0,A3B_hR36_166_ach_bc:Fe-Tm +mp-1102236,TmFe2,-7.2571445375,-0.1185185897,0.0245964975,-0.0169845408,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Tm,12.0,A2B_hP12_194_ah_f:Fe-Tm +mp-571183,TmFe2,-7.281741035,-0.1431150872,0.0,-0.0415810383,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Tm,6.0,A2B_cF24_227_c_b:Fe-Tm +mp-865179,Hf2FeOs,-10.42633161,-0.5233899350000001,0.0,-0.0368310003,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Hf-Os,4.0,AB2C_cF16_225_a_c_b:Fe-Hf-Os +mp-581527,Bi14Rh3,-4.6076473894,-0.1453078935,0.0150303149,0.0150303149,GGA,Fddd,A14B3_oF136_70_e3h_ac:Bi-Rh,34.0,"Invalid WP multiplicities - A14B3_oF136_70_4e19h_2a2c:Bi-Rh, expected Bi14Rh to be Bi14Rh3" +mp-1071453,Nd2Bi,-5.145163535,-0.6862355367,0.0158118186,0.0158118186,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Nd,6.0,AB2_tI12_139_e_ce:Bi-Nd +mp-581990,Bi3Rh,-4.90108759,-0.179643775,0.0187611698,0.0187611698,GGA,Pnma,A3B_oP16_62_3c_c:Bi-Rh,16.0,"Invalid WP multiplicities - A3B_oP16_62_11c_c:Bi-Rh, expected Bi11Rh to be Bi3Rh" +mp-1210131,NdBiRh,-6.0573669208,-0.73305211,0.0,-0.0391813643,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Nd-Rh,12.0,ABC_oP12_62_c_c_c:Bi-Nd-Rh +mp-23300,NdBi,-5.271112405,-0.9667941238,0.0,-0.2222055394,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Nd,2.0,AB_cF8_225_a_b:Bi-Nd +mp-22868,BiRh,-5.488778615,0.113619885,0.3047911725,0.2832839794,GGA,P6_3/mmc,AB_hP4_194_a_c:Bi-Rh,4.0,AB_hP4_194_a_c:Bi-Rh +mp-1064554,BiRh,-5.7935697875,-0.1911712875,0.0,-0.0215071931,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Rh,4.0,AB_hP4_194_c_a:Bi-Rh +mp-23175,Nd4Bi3,-5.2215379707,-0.8509583821000001,0.0146981136,0.0146981136,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Nd,14.0,A3B4_cI28_220_a_c:Bi-Nd +mp-30467,Bi4Rh,-4.7269695142,-0.1817166362,0.0,-0.0242721078,GGA,Ia-3d,A4B_cI120_230_h_c:Bi-Rh,60.0,A4B_cI120_230_h_c:Bi-Rh +mp-23217,Bi2Rh,-5.2413141692,-0.2262187925,0.0,-0.0403000891,GGA,P2_1/c,A2B_mP12_14_2e_e:Bi-Rh,12.0,A2B_mP12_14_2e_e:Bi-Rh +mp-1105838,Nd5Bi3,-5.2100788437,-0.7898032747,0.0,-0.0315014931,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Nd,16.0,A3B5_hP16_193_g_dg:Bi-Nd +mp-1224945,FeCu,-6.11278359,0.17183035,0.17183035,0.17183035,GGA,Cmmm,AB_oC4_65_a_c:Cu-Fe,2.0,AB_oC4_65_a_c:Cu-Fe +mp-1093742,Hf2FeCu,-4.9155690875,3.2053323975,3.4381061231,3.4381061231,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Fe-Hf,4.0,ABC2_oI8_71_a_b_e:Cu-Fe-Hf +mp-1224953,FeCu3,-5.0863980475,0.1055122575,0.1055122575,0.1055122575,GGA,Cmmm,A3B_oC8_65_bk_c:Cu-Fe,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Cu-Fe, expected FeCu5 to be FeCu3" +mp-1184444,FeCu3,-5.010659505,0.1812508,0.1812508,0.1812508,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Fe,8.0,A3B_hP8_194_h_c:Cu-Fe +mp-1224977,FeCu4,-4.911770692,0.061598886,0.061598886,0.061598886,GGA,R-3m,A4B_hR15_166_2c_a:Cu-Fe,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Cu-Fe, expected FeCu6 to be FeCu4" +mp-1225131,Fe3Cu,-7.3069163425,0.0704012325,0.0704012325,0.0704012325,GGA,Cmmm,AB3_oC8_65_b_ck:Cu-Fe,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Cu-Fe, expected Fe5Cu to be Fe3Cu" +mp-1184311,Fe3Cu,-7.2450426875,0.1322748875,0.1322748875,0.1322748875,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Fe,4.0,AB3_tI8_139_a_bd:Cu-Fe +mp-1184260,Fe3Cu,-7.19635389,0.180963685,0.180963685,0.180963685,GGA,Fm-3m,AB3_cF16_225_a_bc:Cu-Fe,4.0,AB3_cF16_225_a_bc:Cu-Fe +mp-1063255,LaPd2,-5.69861733,-0.6000270883000001,0.2334412333,0.2334412333,GGA,I4/mmm,AB2_tI6_139_a_d:La-Pd,3.0,AB2_tI6_139_a_d:La-Pd +mp-1087240,La2InPd2,-5.437279747,-0.8405874350000001,0.0,-0.0758017825,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-La-Pd,10.0,AB2C2_tP10_127_a_h_g:In-La-Pd +mp-1105925,La7Pd3,-5.530061774,-0.5208922575,0.0,-0.021823641,GGA,P6_3mc,A7B3_hP20_186_b2c_c:La-Pd,20.0,A7B3_hP20_186_b2c_c:La-Pd +mp-30753,LaPd5,-5.7174598217,-0.5782237958,0.0,-0.0307075999999999,GGA,P6/mmm,AB5_hP6_191_a_cg:La-Pd,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:La-Pd, expected LaPd8 to be LaPd5" +mp-21367,LaIn2Pd,-4.5691066838,-0.66429259,0.0,-0.0255420125,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-La-Pd,8.0,A2BC_oC16_63_f_c_c:In-La-Pd +mp-1104435,La3Pd4,-5.9227684329,-0.8474043536,0.0,-0.01862525,GGA,R-3,A3B4_hR42_148_f_abf:La-Pd,14.0,A3B4_hR42_148_f_abf:La-Pd +mp-1197789,La4In21Pd10,-4.2330335926,-0.5379420254,0.0,-0.0130306126,GGA,C2/m,A21B4C10_mC70_12_a10i_2i_5i:In-La-Pd,35.0,A21B4C10_mC70_12_a10i_2i_5i:In-La-Pd +mp-20138,LaInPd,-4.8170250178,-0.5278341361000001,0.2344000344,0.2344000344,GGA,P-62m,ABC_hP9_189_f_g_ad:In-La-Pd,9.0,ABC_hP9_189_f_g_ad:In-La-Pd +mp-674,LaPd3,-5.9401874275,-0.8212742937,0.0,-0.1574021386,GGA,Pm-3m,AB3_cP4_221_a_c:La-Pd,4.0,AB3_cP4_221_a_c:La-Pd +mp-1002115,LaPd,-5.889725485,-0.8317810275,0.0,-0.0703009097,GGA,Cmcm,AB_oC8_63_c_c:La-Pd,4.0,AB_oC8_63_c_c:La-Pd +mp-20743,LaInPd2,-5.3134012875,-0.8015376737000001,0.0,-0.0587542319,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:In-La-Pd,8.0,ABC2_hP8_194_a_c_f:In-La-Pd +mp-1225312,DyCoNi,-6.1374718867,-0.3057247817,0.0234244217,0.0234244217,GGA,Imma,ABC_oI12_74_a_e_c:Co-Dy-Ni,6.0,ABC_oI12_74_a_e_c:Co-Dy-Ni +mp-1223936,HgAu3,-2.4536865475000003,0.0776450438,0.0776450438,0.0776450438,GGA,P-6m2,A3B_hP4_187_ah_b:Au-Hg,4.0,A3B_hP4_187_ah_b:Au-Hg +mp-1184705,HgAu3,-2.4775846313,0.05374696,0.05374696,0.05374696,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Hg,8.0,A3B_hP8_194_h_c:Au-Hg +mp-862739,PuHgAu2,-5.09652105,0.1832996237,0.4698653892,0.4698653892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-Pu,4.0,A2BC_cF16_225_c_a_b:Au-Hg-Pu +mp-1812,Hg5Au6,-1.9044177686,0.0193725791,0.0193725791,0.0193725791,GGA,P6_3/mcm,A6B5_hP22_193_k_dg:Au-Hg,22.0,A6B5_hP22_193_k_dg:Au-Hg +mp-973626,Hg3Au,-0.929537335,0.1166934388,0.1166934388,0.1166934388,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Hg,8.0,AB3_hP8_194_c_h:Au-Hg +mp-973055,Hg3Au,-0.89452825,0.1517025238,0.1517025238,0.1517025238,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Hg,4.0,AB3_cP4_221_a_c:Au-Hg +mp-1223945,HgAu4,-2.618593186,0.061248487,0.061248487,0.061248487,GGA,R-3m,A4B_hR15_166_2c_a:Au-Hg,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Hg, expected HgAu6 to be HgAu4" +mp-861592,PuAu3,-6.3909570712,-0.3685859888,0.0,-0.3386830558,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Pu,8.0,A3B_hP8_194_h_c:Au-Pu +mp-1186664,PuAu3,-5.90400682,0.1183642625,0.4869502512,0.1482671954,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Pu,4.0,A3B_cF16_225_ac_b:Au-Pu +mp-1186840,Pu3Au,-11.6090580463,-0.0897087988,0.0331531975,0.0331531975,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Pu,8.0,AB3_hP8_194_c_h:Au-Pu +mp-978096,Pu3Au,-10.917242205,0.6021070425,0.7249690388000001,0.7249690388000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Au-Pu,4.0,AB3_cF16_225_a_bc:Au-Pu +mp-1186792,PuHg3,-3.917245175,-0.1225253188,0.0,-0.1225253188,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Pu,4.0,A3B_cF16_225_ac_b:Hg-Pu +mp-1205978,CaAgPb,-3.2453226333,-0.3950549822,0.0,-0.0409787219,GGA,P-6m2,ABC_hP9_187_ah_fi_cg:Ag-Ca-Pb,9.0,"Invalid WP multiplicities - ABC_hP9_187_ah_f2i_cg:Ag-Ca-Pb, expected Ca5(AgPb)3 to be CaAgPb" +mp-1096029,CaAg2Pb,-1.664404685,1.1814350542,1.4777262908,1.4777262908,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Pb,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Pb +mp-864991,Ca2AgPb,-3.108315795,-0.4692150867,0.0,-0.02059743,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ca-Pb,4.0,AB2C_cF16_225_a_c_b:Ag-Ca-Pb +mp-23405,Cs2TeBr6,-3.0968177722,-1.5132310369000002,0.0,-0.0934047001,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Te,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Te +mp-1104734,TeBr6,-2.4035186857,-0.6233078467000001,0.0051269984,0.0051269984,GGA,P4/mnc,A6B_tP14_128_eh_a:Br-Te,14.0,A6B_tP14_128_eh_a:Br-Te +mp-1178386,CsTe4,-3.4230050715,-0.7292798824000001,0.0,-0.0021521344,GGA,P2_1/c,AB4_mP20_14_e_4e:Cs-Te,20.0,"Invalid WP multiplicities - AB4_mP20_14_e_11e:Cs-Te, expected CsTe11 to be CsTe4" +mp-1188281,Cs5Te3,-2.8517635719000003,-1.1133973793,0.0004302791,0.0004302791,GGA,I4/m,A5B3_tI32_87_d2h_eh:Cs-Te,16.0,A5B3_tI32_87_d2h_eh:Cs-Te +mp-863764,TeBr2,-2.6805985883,-0.5974777372,0.1377870921,0.1377870921,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Te,6.0,A2B_tP6_136_f_a:Br-Te +mp-1191593,Cs3Te22,-3.4508085364,-0.5772510656000001,0.0,-0.0163581067,GGA,I4/m,A3B22_tI50_87_ae_ch2i:Cs-Te,25.0,A3B22_tI50_87_ae_ch2i:Cs-Te +mp-1104010,Cs2Te5,-3.36177837,-0.8607306256,0.0,-0.017188107,GGA,Cmcm,A2B5_oC28_63_2c_ch:Cs-Te,14.0,A2B5_oC28_63_2c_ch:Cs-Te +mp-8361,CsTe,-3.0778726487,-1.058518516,0.0,-0.010401514,GGA,Pbam,AB_oP8_55_g_h:Cs-Te,8.0,AB_oP8_55_g_h:Cs-Te +mp-1205022,CsTe7,-3.4463061959,-0.5839882428000001,0.0104990728,0.0104990728,GGA,P4/ncc,AB7_tP128_130_bcf_7g:Cs-Te,128.0,AB7_tP128_130_bcf_7g:Cs-Te +mp-27648,Te2Br,-2.9871183171,-0.3739049449,0.0,-0.0073179519,GGA,Pnma,AB2_oP24_62_2c_4c:Br-Te,24.0,AB2_oP24_62_2c_4c:Br-Te +mp-505634,Cs2Te3,-3.240037185,-0.9958927002,0.0,-0.0296751997,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:Cs-Te,10.0,A2B3_oC20_36_2a_ab:Cs-Te +mp-1208424,TeBr4,-2.7508926258,-0.8798087831,0.0,-0.2642499693,GGA,C2/c,A4B_mC80_15_8f_2f:Br-Te,40.0,A4B_mC80_15_8f_2f:Br-Te +mp-573763,Cs2Te,-2.776967585,-1.1322640392,0.0,-0.1425774798,GGA,Pnma,A2B_oP12_62_2c_c:Cs-Te,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Cs-Te, expected Cs5Te to be Cs2Te" +mp-505464,Cs2Te13,-3.4667998227,-0.6232143988000001,0.0,-0.0206251971,GGA,Pbcm,A2B13_oP60_57_cd_d6e:Cs-Te,60.0,A2B13_oP60_57_cd_d6e:Cs-Te +mp-1098156,LaMg3,-2.4762482925,-0.0420364787,0.090479465,0.0619212455,GGA,P4/mmm,AB3_tP4_123_a_ce:La-Mg,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_c2e:La-Mg, expected LaMg5 to be LaMg3" +mp-1094174,LaMg3,-2.5656530975000003,-0.1314412837,0.00107466,-0.0274835595,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Mg,4.0,AB3_tI8_139_a_bd:La-Mg +mp-1094169,LaMg3,-2.52607886,-0.0918670462,0.0406488975,0.012090678,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Mg,8.0,AB3_hP8_194_c_h:La-Mg +mp-1016227,LaMg3,-2.479285965,-0.0450741512,0.0874417925,0.058883573,GGA,Pm-3m,AB3_cP4_221_a_c:La-Mg,4.0,AB3_cP4_221_a_c:La-Mg +mp-2306,LaMg3,-2.5667277575,-0.1325159437,0.0,-0.0285582195,GGA,Fm-3m,AB3_cF16_225_a_bc:La-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:La-Mg, expected LaMg5 to be LaMg3" +mp-1016316,LaMg7,-1.997850765,0.0193951669,0.0958282491,0.0958282491,GGA,P-6m2,AB7_hP8_187_a_djk:La-Mg,8.0,AB7_hP8_187_a_djk:La-Mg +mp-1094177,La2Mg,-3.8675730617,-0.043474975,0.0299932067,0.0299932067,GGA,C2/m,A2B_mC12_12_2i_i:La-Mg,6.0,A2B_mC12_12_2i_i:La-Mg +mp-1094190,La2Mg,-3.8408457817,-0.016747695,0.0567204867,0.0567204867,GGA,C2/m,A2B_mC12_12_2i_i:La-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:La-Mg, expected La3Mg to be La2Mg" +mp-1094203,La2Mg,-3.8508237583,-0.0267256717,0.04674251,0.04674251,GGA,C2/c,A2B_mC12_15_f_e:La-Mg,6.0,A2B_mC12_15_f_e:La-Mg +mp-1094170,La2Mg,-3.80182124,0.0222768467,0.0957450283,0.0957450283,GGA,Cmcm,A2B_oC12_63_2c_c:La-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:La-Mg, expected La3Mg to be La2Mg" +mp-1094195,La2Mg,-3.836860985,-0.0127628983,0.0607052833,0.0607052833,GGA,Cmcm,A2B_oC12_63_g_c:La-Mg,6.0,A2B_oC12_63_g_c:La-Mg +mp-1094201,La2Mg,-3.8188775033,0.0052205833,0.078688765,0.078688765,GGA,R32,A2B_hR18_155_ae_c:La-Mg,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:La-Mg, expected La7Mg2 to be La2Mg" +mp-1183095,Ac3La,-4.2868174275,0.0380656044,0.0380656044,0.0380656044,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-La,4.0,A3B_tI8_139_ad_b:Ac-La +mp-985540,Ac3La,-4.2869329863,0.0379500456,0.0379500456,0.0379500456,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-La,8.0,A3B_hP8_194_h_c:Ac-La +mp-1094168,LaMg2,-2.7602974017,-0.0481083333,0.07696972,0.07696972,GGA,C2/m,AB2_mC12_12_i_2i:La-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:La-Mg, expected LaMg3 to be LaMg2" +mp-1094176,LaMg2,-2.7252262933,-0.013037225,0.1120408283,0.1120408283,GGA,C2/m,AB2_mC12_12_i_2i:La-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:La-Mg, expected LaMg3 to be LaMg2" +mp-1094187,LaMg2,-2.7280110833,-0.015822015,0.1092560383,0.1092560383,GGA,C2/c,AB2_mC12_15_e_f:La-Mg,6.0,AB2_mC12_15_e_f:La-Mg +mp-1094163,LaMg2,-2.75162745,-0.0394383817,0.0856396717,0.0856396717,GGA,Cmcm,AB2_oC12_63_c_2c:La-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:La-Mg, expected LaMg3 to be LaMg2" +mp-1094179,LaMg2,-2.7122145133,-2.5445e-05,0.1250526083,0.1250526083,GGA,Cmcm,AB2_oC12_63_c_g:La-Mg,6.0,AB2_oC12_63_c_g:La-Mg +mp-1094161,LaMg2,-2.7052803433,0.006908725,0.1319867783,0.1319867783,GGA,P-62m,AB2_hP6_189_c_ag:La-Mg,6.0,AB2_hP6_189_c_ag:La-Mg +mp-1095697,LaMg2,-2.8107293592,-0.0985402908,0.0265377625,0.0265377625,GGA,P6_3/mmc,AB2_hP12_194_f_ah:La-Mg,12.0,AB2_hP12_194_f_ah:La-Mg +mp-1909,LaMg2,-2.83669334,-0.1245042717,0.0005737817,0.0005737817,GGA,Fd-3m,AB2_cF24_227_a_d:La-Mg,6.0,AB2_cF24_227_a_d:La-Mg +mp-1023560,LaMg15,-1.7921357831,0.0166272078,0.0563700155,0.0563700155,GGA,P-6m2,AB15_hP16_187_a_bhjkn:La-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:La-Mg, expected LaMg27 to be LaMg15" +mp-1094178,La5Mg,-4.3717785583,0.0082740375,0.0450081283,0.0450081283,GGA,Cm,A5B_mC12_8_5a_a:La-Mg,6.0,A5B_mC12_8_5a_a:La-Mg +mp-1185098,La5Mg,-4.34940587,0.0306467258,0.0673808167,0.0673808167,GGA,Amm2,A5B_oC12_38_2a3b_a:La-Mg,6.0,A5B_oC12_38_2a3b_a:La-Mg +mp-1094218,La5Mg,-4.3692252767,0.0108273192,0.04756141,0.04756141,GGA,R32,A5B_hR18_155_cd_b:La-Mg,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:La-Mg, expected La10Mg to be La5Mg" +mp-1185091,La5Mg,-4.369157405,0.0108951908,0.0476292817,0.0476292817,GGA,P-62m,A5B_hP6_189_cg_a:La-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:La-Mg, expected La7Mg to be La5Mg" +mp-866286,AcMg,-2.935716435,-0.0749889062,0.0,-0.035424281,GGA,Pm-3m,AB_cP2_221_a_b:Ac-Mg,2.0,AB_cP2_221_a_b:Ac-Mg +mp-1094759,La3Mg,-4.111681935,-0.0096065938,0.0454945425,0.0454945425,GGA,Pmm2,A3B_oP4_25_abc_d:La-Mg,4.0,A3B_oP4_25_abc_d:La-Mg +mp-1094172,La3Mg,-4.11641188,-0.0143365388,0.0407645975,0.0407645975,GGA,Imm2,A3B_oI8_44_ac_b:La-Mg,4.0,A3B_oI8_44_ac_b:La-Mg +mp-1094171,La3Mg,-4.11596879,-0.0138934488,0.0412076875,0.0412076875,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Mg,4.0,A3B_tI8_139_ad_b:La-Mg +mp-975341,La3Mg,-4.106735495,-0.0046601537,0.0504409825,0.0504409825,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Mg,8.0,A3B_hP8_194_h_c:La-Mg +mp-1094855,La3Mg,-4.1165298275,-0.0144544863,0.04064665,0.04064665,GGA,Pm-3m,A3B_cP4_221_c_a:La-Mg,4.0,A3B_cP4_221_c_a:La-Mg +mp-1094164,LaMg,-3.2829549567000003,-0.0148113792,0.0953908933,0.0785668246,GGA,C2,AB_mC12_5_ac_bc:La-Mg,6.0,AB_mC12_5_ac_bc:La-Mg +mp-1094166,LaMg,-3.2492137117,0.0189298658,0.1291321383,0.1123080696,GGA,Cm,AB_mC12_8_3a_3a:La-Mg,6.0,AB_mC12_8_3a_3a:La-Mg +mp-1094182,LaMg,-3.28802803,-0.0198844525,0.09031782,0.0734937513,GGA,Cm,AB_mC12_8_3a_3a:La-Mg,6.0,AB_mC12_8_3a_3a:La-Mg +mp-1094173,LaMg,-3.276617525,-0.0084739475,0.101728325,0.0849042563,GGA,Amm2,AB_oC12_38_ae_bd:La-Mg,6.0,AB_oC12_38_ae_bd:La-Mg +mp-1094216,LaMg,-3.3174284083,-0.0492848308,0.0609174417,0.0440933729,GGA,Amm2,AB_oC12_38_2ab_a2b:La-Mg,6.0,AB_oC12_38_2ab_a2b:La-Mg +mp-1094739,LaMg,-3.36122872,-0.0930851425,0.01711713,0.0002930613,GGA,Pmma,AB_oP4_51_e_f:La-Mg,4.0,AB_oP4_51_e_f:La-Mg +mp-1104,LaMg,-3.37834585,-0.1102022725,0.0,-0.0168240687,GGA,Pm-3m,AB_cP2_221_a_b:La-Mg,2.0,AB_cP2_221_a_b:La-Mg +mp-1222990,La4Mg,-4.29246502,-0.023603326,0.020477583,0.020477583,GGA,I4/mmm,A4B_tI10_139_2e_a:La-Mg,5.0,"Invalid WP multiplicities - A4B_tI10_139_3e_a:La-Mg, expected La6Mg to be La4Mg" +mp-1211837,La4Mg,-3.735912801,0.532948893,0.577029802,0.577029802,GGA,Fd-3m,A4B_cF40_227_e_a:La-Mg,10.0,A4B_cF40_227_e_a:La-Mg +mp-1183237,AcMg3,-2.2674756538,-0.0369718644,0.0172184887,0.0101558315,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Mg,8.0,AB3_hP8_194_c_h:Ac-Mg +mp-984785,AcMg3,-2.2846941425,-0.0541903531,0.0,-0.0070626573,GGA,Fm-3m,AB3_cF16_225_a_bc:Ac-Mg,4.0,AB3_cF16_225_a_bc:Ac-Mg +mp-1183049,AcLa,-4.468408025,0.0601830313,0.0601830313,0.0601830313,GGA,P-6m2,AB_hP2_187_a_d:Ac-La,2.0,AB_hP2_187_a_d:Ac-La +mp-1183101,AcLaMg2,-3.147359765,-0.0829242119,0.0108843281,0.0108843281,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-La-Mg,4.0,ABC2_cF16_225_a_b_c:Ac-La-Mg +mp-1211590,La5Mg41,-2.0319770041,-0.0691179264,0.0,-0.0054739111,GGA,I4/m,A5B41_tI92_87_ah_bf3h3i:La-Mg,46.0,A5B41_tI92_87_ah_bf3h3i:La-Mg +mp-1094186,LaMg5,-2.144102365,0.0121321942,0.1072595636,0.1072595636,GGA,Cm,AB5_mC12_8_a_5a:La-Mg,6.0,AB5_mC12_8_a_5a:La-Mg +mp-1184231,AcMg149,-1.6370954674,-0.020009451,0.0,-0.0185643749,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ac-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Ac-Mg, expected AcMg315 to be AcMg149" +mp-985059,AcLa3,-4.7056368025,0.0266622781,0.0266622781,0.0266622781,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-La,4.0,AB3_tI8_139_a_bd:Ac-La +mp-1183051,AcLa3,-4.6790829962,0.0532160844,0.0532160844,0.0532160844,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-La,8.0,AB3_hP8_194_c_h:Ac-La +mp-30752,La2Mg17,-2.0127329303,-0.0613237166,0.0056115385,0.0056115385,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:La-Mg,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_fgj2k:La-Mg, expected La2Mg23 to be La2Mg17" +mp-1104815,LaMg12,-1.9050324585,-0.0481580196,0.0007562052,0.0007562052,GGA,I4/mmm,AB12_tI26_139_a_fij:La-Mg,13.0,AB12_tI26_139_a_fij:La-Mg +mp-1183089,Ac2Mg,-3.3106908283,-0.02981414,0.0201784642,0.0201784642,GGA,C2/m,A2B_mC12_12_2i_i:Ac-Mg,6.0,A2B_mC12_12_2i_i:Ac-Mg +mp-1183085,Ac2Mg,-3.2978193183,-0.01694263,0.0330499742,0.0330499742,GGA,Cmcm,A2B_oC12_63_2c_c:Ac-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Ac-Mg, expected Ac4Mg to be Ac2Mg" +mp-985286,Ac2Mg,-3.2979387433,-0.017062055,0.0329305492,0.0329305492,GGA,I4/mmm,A2B_tI6_139_e_a:Ac-Mg,3.0,A2B_tI6_139_e_a:Ac-Mg +mp-875,AlOs,-7.887310035,-0.400838405,0.0209908375,0.0209908375,GGA,Pm-3m,AB_cP2_221_a_b:Al-Os,2.0,AB_cP2_221_a_b:Al-Os +mp-567929,Al13Os4,-5.9497978335,-0.4438004506,0.0,-0.0467846929,GGA,C2/m,A13B4_mC34_12_a6i_2i:Al-Os,17.0,"Invalid WP multiplicities - A13B4_mC34_12_a12i_4i:Al-Os, expected Al25Os8 to be Al13Os4" +mp-1220038,OsPt3,-7.282482265,0.0777095825,0.0777095825,0.0777095825,GGA,R-3m,AB3_hR12_166_a_bc:Os-Pt,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Os-Pt, expected OsPt5 to be OsPt3" +mp-7188,Al2Os,-6.8019453533,-0.56243899,0.0,-0.0887614683,GGA,I4/mmm,A2B_tI6_139_e_a:Al-Os,3.0,A2B_tI6_139_e_a:Al-Os +mp-1220039,OsPt4,-7.080604246,0.021775896,0.021775896,0.021775896,GGA,R-3m,AB4_hR15_166_a_2c:Os-Pt,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Os-Pt, expected OsPt6 to be OsPt4" +mp-16521,Al3Os2,-7.2322864,-0.49399393,0.012201161,0.012201161,GGA,I4/mmm,A3B2_tI10_139_ae_e:Al-Os,5.0,A3B2_tI10_139_ae_e:Al-Os +mp-1093553,Al2OsPt,-3.8510222125,2.34639089,3.0785176631,3.0785176631,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Pt,4.0,A2BC_oI8_71_e_a_b:Al-Os-Pt +mp-1548,PrMg,-3.303469955,-0.1128770525,0.0,-0.027271055,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Pr,2.0,AB_cP2_221_a_b:Mg-Pr +mp-1220280,Pr14Au51,-4.2297014835,-0.6312297517000001,0.0,-0.0838525267,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Pr,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Pr, expected Pr14Au71 to be Pr14Au51" +mp-569032,PrAu6,-3.9049771043,-0.4158059964,0.0028667981,0.0028667981,GGA,C2/c,A6B_mC28_15_3f_e:Au-Pr,14.0,"Invalid WP multiplicities - A6B_mC28_15_8f_e:Au-Pr, expected PrAu16 to be PrAu6" +mp-1186686,Pr2Mg,-3.7662623,-0.0455651133,0.029686255,0.029686255,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Pr,6.0,AB2_mC12_12_i_2i:Mg-Pr +mp-1186685,Pr2Mg,-3.7793241983,-0.0586270117,0.0166243567,0.0166243567,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Pr,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Pr, expected Pr4Mg to be Pr2Mg" +mp-1186691,Pr2Mg,-3.7683959233,-0.0476987367,0.0275526317,0.0275526317,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Pr,3.0,AB2_tI6_139_a_e:Mg-Pr +mp-30415,PrAu2,-4.5375698483,-0.7613465967,0.0,-0.0627823596,GGA,Imma,A2B_oI12_74_h_e:Au-Pr,6.0,A2B_oI12_74_h_e:Au-Pr +mp-1079915,PrAu,-4.82110467,-0.7937107925,0.0,-0.1441235392,GGA,Pnma,AB_oP8_62_c_c:Au-Pr,8.0,AB_oP8_62_c_c:Au-Pr +mp-999306,PrAu,-4.8151749975,-0.78778112,0.0059296725,-0.1381938667,GGA,Cmcm,AB_oC8_63_c_c:Au-Pr,4.0,AB_oC8_63_c_c:Au-Pr +mp-11255,PrAu,-4.76408498,-0.7366911025,0.05701969,-0.0871038492,GGA,Pm-3m,AB_cP2_221_a_b:Au-Pr,2.0,AB_cP2_221_a_b:Au-Pr +mp-1186718,Pr3Mg,-3.9910138325,-0.0052645037,0.0511740225,0.0511740225,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Pr,4.0,AB3_tI8_139_a_bd:Mg-Pr +mp-30775,PrMg2,-2.76829075,-0.1078021317,0.0138732033,0.0138732033,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Pr,6.0,A2B_cF24_227_c_b:Mg-Pr +mp-428,PrMg3,-2.5215109525,-0.1260744762,0.0,-0.0353163613,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Pr,4.0,A3B_cF16_225_ac_b:Mg-Pr +mp-1197847,Pr5Mg41,-2.0078576263,-0.061857391,0.0048477574,0.0048477574,GGA,I4/m,A41B5_tI92_87_af3h3i_bh:Mg-Pr,46.0,A41B5_tI92_87_af3h3i_bh:Mg-Pr +mp-1209749,Pr4Mg,-3.575978209,0.568802405,0.613953226,0.613953226,GGA,Fd-3m,AB4_cF40_227_a_e:Mg-Pr,10.0,AB4_cF40_227_a_e:Mg-Pr +mp-1186994,PrMg149,-1.6453216704,-0.023837449,0.0,-0.0200435291,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Pr,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Pr, expected PrMg315 to be PrMg149" +mp-1186744,Pr5Mg,-4.2160486,0.0347528708,0.072378555,0.072378555,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Pr,6.0,AB5_oC12_38_a_2a3b:Mg-Pr +mp-1186745,Pr5Mg,-4.2476480183,0.0031534525,0.0407791367,0.0407791367,GGA,R32,AB5_hR18_155_a_ce:Mg-Pr,6.0,AB5_hR18_155_a_ce:Mg-Pr +mp-1186699,Pr3Au,-4.607037475,-0.2028876587,0.2004832737,0.2004832737,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Pr,4.0,AB3_tI8_139_a_bd:Au-Pr +mp-1186701,Pr3Au,-4.6223879838,-0.2182381675,0.185132765,0.185132765,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Pr,8.0,AB3_hP8_194_c_h:Au-Pr +mp-30776,PrMg12,-1.8838378754,-0.0388943096,0.0144615224,0.0144615224,GGA,I4/mmm,A12B_tI26_139_fij_a:Mg-Pr,13.0,A12B_tI26_139_fij_a:Mg-Pr +mp-2714,Pr2Au,-4.8163924133,-0.53782791,0.0,-0.0086873817,GGA,Pnma,AB2_oP12_62_c_2c:Au-Pr,12.0,AB2_oP12_62_c_2c:Au-Pr +mp-975893,PrMgAu2,-3.953053735,-0.7208162838000001,0.0,-0.0204184125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Pr +mp-1219469,SbPd6Se,-5.11878181,-0.2807563628,0.0884657467,0.0884657467,GGA,R-3m,A6BC_hR24_166_3c_a_b:Pd-Sb-Se,8.0,"Invalid WP multiplicities - A6BC_hR24_166_4c_a_b:Pd-Sb-Se, expected SbPd8Se to be SbPd6Se" +mp-2160,Sb2Se3,-4.287896815,-0.5387494324000001,0.0,-0.5387494324000001,GGA,Pnma,A2B3_oP20_62_2c_3c:Sb-Se,20.0,A2B3_oP20_62_2c_3c:Sb-Se +mp-672706,Sb2Se3,-4.1928029945,-0.4436556119,0.0950938205,-0.4436556119,GGA,Pnma,A2B3_oP20_62_2c_3c:Sb-Se,20.0,"Invalid WP multiplicities - A2B3_oP20_62_2c_9c:Sb-Se, expected Sb2Se9 to be Sb2Se3" +mp-1179704,Sb2Se3,-4.2127137955,-0.4635664129,0.0751830195,-0.4635664129,GGA,Pnma,A2B3_oP20_62_2c_3c:Sb-Se,20.0,"Invalid WP multiplicities - A2B3_oP20_62_2c_9c:Sb-Se, expected Sb2Se9 to be Sb2Se3" +mp-4368,SbPdSe,-4.90668289,-0.6384180474000001,0.0,-0.0837345038,GGA,P2_13,ABC_cP12_198_a_a_a:Pd-Sb-Se,12.0,ABC_cP12_198_a_a_a:Pd-Sb-Se +mp-867173,SrInHg2,-1.6708660125,-0.4087315342,0.0,-0.011200626,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Sr,4.0,A2BC_cF16_225_c_a_b:Hg-In-Sr +mp-1218256,SrIn3Hg,-2.3498222,-0.3001771983,0.0,-0.000813771,GGA,I4mm,AB3C_tI10_107_a_ab_a:Hg-In-Sr,5.0,AB3C_tI10_107_a_ab_a:Hg-In-Sr +mp-1096160,Sr2InHg,-0.6498361525,0.9587515979,1.442966185,1.4365217947,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-In-Sr,4.0,ABC2_oI8_71_a_b_e:Hg-In-Sr +mp-1187240,Sr2InHg,-2.0928023375,-0.4842145871,0.0,-0.0064443903,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Sr,4.0,ABC2_cF16_225_a_b_c:Hg-In-Sr +mp-1212244,In3Hg,-1.2413998,0.8982830888000001,0.8982830888000001,0.8982830888000001,GGA,Cmmm,AB3_oC8_65_a_de:Hg-In,4.0,AB3_oC8_65_a_de:Hg-In +mp-1184933,In3Hg,-2.1105375475,0.0291453413,0.0291453413,0.0291453413,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-In,8.0,AB3_hP8_194_c_h:Hg-In +mp-20132,InHg,-1.52280425,0.0048777975,0.0048777975,0.0048777975,GGA,R-3m,AB_hR6_166_a_b:Hg-In,2.0,AB_hR6_166_a_b:Hg-In +mp-1223650,InHg3,-0.896900605,0.0187806012,0.0187806012,0.0187806012,GGA,C222,A3B_oC8_21_ak_c:Hg-In,4.0,A3B_oC8_21_ak_c:Hg-In +mp-1184789,InHg3,-0.9110937512,0.004587455,0.004587455,0.004587455,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-In,8.0,A3B_hP8_194_h_c:Hg-In +mp-1068325,Sr(InHg)2,-1.881921852,-0.3218775233,0.005107704,0.005107704,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Hg-In-Sr,5.0,A2B2C_tI10_139_e_d_a:Hg-In-Sr +mp-1094950,MgGa3,-2.7256187425,-0.0544767131,0.0542867022,0.0542867022,GGA,Pmm2,A3B_oP4_25_abc_d:Ga-Mg,4.0,A3B_oP4_25_abc_d:Ga-Mg +mp-1094660,MgGa3,-2.720178585,-0.0490365556,0.0597268597,0.0597268597,GGA,Imm2,A3B_oI8_44_ac_b:Ga-Mg,4.0,A3B_oI8_44_ac_b:Ga-Mg +mp-1185866,MgGa3,-2.7445607475,-0.0734187181,0.0353446972,0.0353446972,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Mg,4.0,A3B_tI8_139_ad_b:Ga-Mg +mp-1094971,MgGa3,-2.68052156,-0.0093795306,0.0993838847,0.0993838847,GGA,P-6m2,A3B_hP4_187_ah_b:Ga-Mg,4.0,A3B_hP4_187_ah_b:Ga-Mg +mp-1094645,MgGa3,-2.747161565,-0.0760195356,0.0327438797,0.0327438797,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Mg,8.0,A3B_hP8_194_h_c:Ga-Mg +mp-1094969,MgGa3,-2.759798495,-0.0886564656,0.0201069497,0.0201069497,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Mg,4.0,A3B_cP4_221_c_a:Ga-Mg +mp-1094614,MgGa3,-2.6992833,-0.0281412706,0.0806221447,0.0806221447,GGA,Fm-3m,A3B_cF16_225_ac_b:Ga-Mg,4.0,A3B_cF16_225_ac_b:Ga-Mg +mp-1023503,Mg15Ga,-1.6999252025,-0.0104066542,0.0386025058,0.0386025058,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Ga-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Ga-Mg, expected Mg27Ga to be Mg15Ga" +mp-20353,GdGa,-9.1832358375,-0.6311267062,0.0,-0.0674295575,GGA,Cmcm,AB_oC8_63_c_c:Ga-Gd,4.0,AB_oC8_63_c_c:Ga-Gd +mp-1104838,GdGa6,-4.9302822186,-0.3238967364,0.0,-0.0104636318,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Gd,14.0,A6B_tP14_125_gm_c:Ga-Gd +mp-1184401,Gd3Ga,-11.5926401975,-0.2785245119,0.0396772837,0.0396772837,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Gd,4.0,AB3_cP4_221_a_c:Ga-Gd +mp-1985644,Gd3Ga2,-10.166034626,-0.509122873,0.0,-0.004221508,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ga-Gd,10.0,A2B3_tP10_127_g_ah:Ga-Gd +mp-21049,GdMg2,-5.8472331233,-0.08833901,0.0025003967,0.0025003967,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Mg,6.0,AB2_cF24_227_a_d:Gd-Mg +mp-1094662,MgGa5,-2.8176967333,-0.0275700396,0.044938904,0.044938904,GGA,Cm,A5B_mC12_8_5a_a:Ga-Mg,6.0,A5B_mC12_8_5a_a:Ga-Mg +mp-1094639,MgGa5,-2.7924318733,-0.0023051796,0.070203764,0.070203764,GGA,Amm2,A5B_oC12_38_2a3b_a:Ga-Mg,6.0,A5B_oC12_38_2a3b_a:Ga-Mg +mp-1094638,MgGa5,-2.8191609767,-0.0290342829,0.0434746606,0.0434746606,GGA,R32,A5B_hR18_155_cd_b:Ga-Mg,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Ga-Mg, expected MgGa10 to be MgGa5" +mp-1094618,MgGa5,-2.78019417,0.0099325237,0.0824414673,0.0824414673,GGA,P-6m2,A5B_hP6_187_agh_d:Ga-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Ga-Mg, expected MgGa9 to be MgGa5" +mp-1094651,MgGa5,-2.8341901617,-0.0440634679,0.0284454756,0.0284454756,GGA,P-62m,A5B_hP6_189_cg_a:Ga-Mg,6.0,A5B_hP6_189_cg_a:Ga-Mg +mp-865078,Gd2Mg,-9.9718722533,-0.0543640767,0.0164429933,0.0164429933,GGA,Cmcm,A2B_oC12_63_2c_c:Gd-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Gd-Mg, expected Gd4Mg to be Gd2Mg" +mp-1016252,Mg7Ga,-1.806792075,-0.0280350284,0.0433026896,0.0433026896,GGA,P-6m2,AB7_hP8_187_a_djk:Ga-Mg,8.0,AB7_hP8_187_a_djk:Ga-Mg +mp-1185597,Mg149Ga,-1.6388611381,-0.0290623149,0.0,-0.0260580547,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ga-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l5m16n8o:Ga-Mg, expected Mg309Ga to be Mg149Ga" +mp-20534,GdMg3,-4.802394405,-0.0831538075,0.0,-0.01689955,GGA,Fm-3m,AB3_cF16_225_a_bc:Gd-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Gd-Mg, expected GdMg5 to be GdMg3" +mp-27668,Mg2Ga5,-2.7444496479,-0.1243010461,0.0,-0.0174647089,GGA,I4/mmm,A5B2_tI28_139_en_h:Ga-Mg,14.0,"Invalid WP multiplicities - A5B2_tI28_139_e2n_h:Ga-Mg, expected Mg2Ga9 to be Mg2Ga5" +mp-1770,Mg5Ga2,-2.1369814807,-0.12875401,0.0,-0.0076701771,GGA,Ibam,A2B5_oI28_72_j_afj:Ga-Mg,14.0,A2B5_oI28_72_j_afj:Ga-Mg +mp-1094624,MgGa2,-2.614609525,-0.06245216,0.0671860233,0.0671860233,GGA,C2/m,A2B_mC12_12_2i_i:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094640,MgGa2,-2.62297035,-0.070812985,0.0588251983,0.0588251983,GGA,C2/m,A2B_mC12_12_2i_i:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094646,MgGa2,-2.589952335,-0.03779497,0.0918432133,0.0918432133,GGA,C2/m,A2B_mC12_12_2i_i:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094682,MgGa2,-2.6377154233,-0.0855580583,0.044080125,0.044080125,GGA,C2/c,A2B_mC12_15_f_e:Ga-Mg,6.0,A2B_mC12_15_f_e:Ga-Mg +mp-1094622,MgGa2,-2.5975411617,-0.0453837967,0.0842543867,0.0842543867,GGA,Amm2,A2B_oC12_38_a3b_2a:Ga-Mg,6.0,A2B_oC12_38_a3b_2a:Ga-Mg +mp-567539,MgGa2,-2.6651941271,-0.1130367621,0.0166014212,0.0166014212,GGA,Pbam,A2B_oP24_55_g3h_2g:Ga-Mg,24.0,"Invalid WP multiplicities - A2B_oP24_55_3g11h_6g:Ga-Mg, expected Mg3Ga7 to be MgGa2" +mp-1094616,MgGa2,-2.6121007317,-0.0599433667,0.0696948167,0.0696948167,GGA,Cmcm,A2B_oC12_63_2c_c:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094630,MgGa2,-2.6195910983,-0.0674337333,0.06220445,0.06220445,GGA,Cmcm,A2B_oC12_63_g_c:Ga-Mg,6.0,A2B_oC12_63_g_c:Ga-Mg +mp-1094659,MgGa2,-2.591328805,-0.03917144,0.0904667433,0.0904667433,GGA,Cmcm,A2B_oC12_63_2c_c:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094663,MgGa2,-2.5689916850000003,-0.01683432,0.1128038633,0.1128038633,GGA,Cmcm,A2B_oC12_63_2c_c:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Ga-Mg, expected MgGa3 to be MgGa2" +mp-30651,MgGa2,-2.6767997583,-0.1246423933,0.00499579,0.00499579,GGA,P6_3/mmc,A2B_hP6_194_f_b:Ga-Mg,6.0,A2B_hP6_194_f_b:Ga-Mg +mp-1094628,MgGa2,-2.2554052517,0.2967521133,0.4263902967,0.4263902967,GGA,P4_2/mnm,A2B_tP6_136_f_a:Ga-Mg,6.0,A2B_tP6_136_f_a:Ga-Mg +mp-1094644,MgGa2,-2.6266701067,-0.0745127417,0.0551254417,0.0551254417,GGA,R32,A2B_hR18_155_ae_c:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Ga-Mg, expected Mg2Ga7 to be MgGa2" +mp-1094615,MgGa2,-2.5432625417,0.0088948233,0.1385330067,0.1385330067,GGA,P-3m1,A2B_hP6_164_2d_d:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094611,MgGa2,-2.5768750133,-0.0247176483,0.104920535,0.104920535,GGA,P-6m2,A2B_hP6_187_adg_h:Ga-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Ga-Mg, expected MgGa3 to be MgGa2" +mp-1094629,MgGa2,-2.630635965,-0.0784786,0.0511595833,0.0511595833,GGA,P-62m,A2B_hP6_189_ag_c:Ga-Mg,6.0,A2B_hP6_189_ag_c:Ga-Mg +mp-1094641,MgGa2,-2.57679577,-0.024638405,0.1049997783,0.1049997783,GGA,P6_3/mmc,A2B_hP6_194_f_c:Ga-Mg,6.0,A2B_hP6_194_f_c:Ga-Mg +mp-1094649,Mg2Ga,-2.1366767433,-0.0604580358,0.0763291278,0.0726435639,GGA,Cm,AB2_mC12_8_2a_4a:Ga-Mg,6.0,AB2_mC12_8_2a_4a:Ga-Mg +mp-1094619,Mg2Ga,-2.1401091217,-0.0638904142,0.0728967494,0.0692111856,GGA,C2/m,AB2_mC12_12_i_2i:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094635,Mg2Ga,-2.1507684683,-0.0745497608,0.0622374028,0.0585518389,GGA,C2/m,AB2_mC12_12_i_2i:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094674,Mg2Ga,-2.1443062117,-0.0680875042,0.0686996594,0.0650140956,GGA,C2/m,AB2_mC12_12_i_2i:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094634,Mg2Ga,-2.1516122917,-0.0753935842,0.0613935794,0.0577080156,GGA,C2/c,AB2_mC12_15_e_f:Ga-Mg,6.0,AB2_mC12_15_e_f:Ga-Mg +mp-1094647,Mg2Ga,-2.1105199817,-0.0343012742,0.1024858894,0.0988003256,GGA,Amm2,AB2_oC12_38_2a_a3b:Ga-Mg,6.0,AB2_oC12_38_2a_a3b:Ga-Mg +mp-1094613,Mg2Ga,-2.127723525,-0.0515048175,0.0852823461,0.0815967822,GGA,Cmcm,AB2_oC12_63_c_2c:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094642,Mg2Ga,-2.17671132,-0.1004926125,0.0362945511,0.0326089872,GGA,Cmcm,AB2_oC12_63_c_2c:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094658,Mg2Ga,-2.1154296467,-0.0392109392,0.0975762244,0.0938906606,GGA,Cmcm,AB2_oC12_63_c_2c:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094671,Mg2Ga,-2.1508243117,-0.0746056042,0.0621815594,0.0584959956,GGA,Cmcm,AB2_oC12_63_c_g:Ga-Mg,6.0,AB2_oC12_63_c_g:Ga-Mg +mp-30650,Mg2Ga,-2.2130058711,-0.1367871636,0.0,-0.0036855639,GGA,P-62c,AB2_hP18_190_bf_gh:Ga-Mg,18.0,AB2_hP18_190_bf_gh:Ga-Mg +mp-1094625,Mg2Ga,-2.1480277283,-0.0718090208,0.0649781428,0.0612925789,GGA,R32,AB2_hR18_155_c_ae:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Ga-Mg, expected Mg7Ga2 to be Mg2Ga" +mp-1094623,Mg2Ga,-2.0826685333,-0.0064498258,0.1303373378,0.1266517739,GGA,P-3m1,AB2_hP6_164_d_2d:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094610,Mg2Ga,-2.130909425,-0.0546907175,0.0820964461,0.0784108822,GGA,P-6m2,AB2_hP6_187_g_adh:Ga-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Ga-Mg, expected Mg3Ga to be Mg2Ga" +mp-1094656,Mg2Ga,-2.1418112333,-0.0655925258,0.0711946378,0.0675090739,GGA,P-62m,AB2_hP6_189_c_ag:Ga-Mg,6.0,AB2_hP6_189_c_ag:Ga-Mg +mp-1094653,Mg2Ga,-2.1295929217,-0.0533742142,0.0834129494,0.0797273856,GGA,P6_3/mmc,AB2_hP6_194_c_f:Ga-Mg,6.0,AB2_hP6_194_c_f:Ga-Mg +mp-1016221,Mg3Ga,-2.0084347975,-0.0512007544,0.0647940796,0.0647940796,GGA,Pmm2,AB3_oP4_25_a_bcd:Ga-Mg,4.0,AB3_oP4_25_a_bcd:Ga-Mg +mp-1094608,Mg3Ga,-2.0116365175,-0.0544024744,0.0615923596,0.0615923596,GGA,Imm2,AB3_oI8_44_a_bc:Ga-Mg,4.0,AB3_oI8_44_a_bc:Ga-Mg +mp-978280,Mg3Ga,-2.025647625,-0.0684135819,0.0475812521,0.0475812521,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Mg,4.0,AB3_tI8_139_a_bd:Ga-Mg +mp-1094854,Mg3Ga,-1.9928613725,-0.0356273294,0.0803675046,0.0803675046,GGA,P-6m2,AB3_hP4_187_a_bh:Ga-Mg,4.0,AB3_hP4_187_a_bh:Ga-Mg +mp-1094652,Mg3Ga,-2.0389945162,-0.0817604731,0.0342343609,0.0342343609,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Mg,8.0,AB3_hP8_194_c_h:Ga-Mg +mp-978281,Mg3Ga,-2.04201161,-0.0847775669,0.0312172671,0.0312172671,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Mg,4.0,AB3_cP4_221_a_c:Ga-Mg +mp-1094633,Mg3Ga,-1.9872894075,-0.0300553644,0.0859394696,0.0859394696,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Mg,4.0,AB3_cF16_225_a_bc:Ga-Mg +mp-1094661,MgGa,-2.403421955,-0.0892339188,0.059084245,0.0420905684,GGA,C2,AB_mC12_5_ac_bc:Ga-Mg,6.0,AB_mC12_5_ac_bc:Ga-Mg +mp-1094643,MgGa,-2.3867061833,-0.0725181471,0.0758000167,0.0588063401,GGA,Cm,AB_mC12_8_3a_3a:Ga-Mg,6.0,AB_mC12_8_3a_3a:Ga-Mg +mp-1094650,MgGa,-2.420282035,-0.1060939987,0.042224165,0.0252304884,GGA,Cm,AB_mC12_8_3a_3a:Ga-Mg,6.0,AB_mC12_8_3a_3a:Ga-Mg +mp-1094667,MgGa,-2.3755483,-0.0613602637,0.0869578999999999,0.0699642234,GGA,Cm,AB_mC12_8_3a_3a:Ga-Mg,6.0,AB_mC12_8_3a_3a:Ga-Mg +mp-1094621,MgGa,-2.415857785,-0.1016697488,0.046648415,0.0296547384,GGA,C2/m,AB_mC8_12_i_i:Ga-Mg,4.0,AB_mC8_12_i_i:Ga-Mg +mp-574266,MgGa,-2.4625062,-0.1483181637,0.0,-0.0169936766,GGA,I4_1/a,AB_tI32_88_f_f:Ga-Mg,16.0,AB_tI32_88_f_f:Ga-Mg +mp-1094632,MgGa,-2.4185551383,-0.1043671021,0.0439510617,0.0269573851,GGA,Amm2,AB_oC12_38_2ab_a2b:Ga-Mg,6.0,AB_oC12_38_2ab_a2b:Ga-Mg +mp-1094637,MgGa,-2.38655704,-0.0723690037,0.07594916,0.0589554834,GGA,Amm2,AB_oC12_38_ae_bd:Ga-Mg,6.0,AB_oC12_38_ae_bd:Ga-Mg +mp-1094648,MgGa,-2.3795196417,-0.0653316054,0.0829865583,0.0659928818,GGA,Amm2,AB_oC12_38_2ab_a2b:Ga-Mg,6.0,AB_oC12_38_2ab_a2b:Ga-Mg +mp-1094672,MgGa,-2.358237655,-0.0440496187,0.104268545,0.0872748684,GGA,Amm2,AB_oC12_38_2ab_a2b:Ga-Mg,6.0,AB_oC12_38_2ab_a2b:Ga-Mg +mp-1094863,MgGa,-2.4382061175,-0.1240180813,0.0243000825,0.0073064059,GGA,Pmma,AB_oP4_51_e_f:Ga-Mg,4.0,AB_oP4_51_e_f:Ga-Mg +mp-1094729,MgGa,-2.3933594025,-0.0791713662,0.0691467975,0.0521531209,GGA,Pmmn,AB_oP4_59_a_b:Ga-Mg,4.0,AB_oP4_59_a_b:Ga-Mg +mp-1094883,MgGa,-2.445643765,-0.1314557287,0.016862435,-0.0001312416,GGA,P4/mmm,AB_tP2_123_a_d:Ga-Mg,2.0,AB_tP2_123_a_d:Ga-Mg +mp-1094620,MgGa,-2.343365415,-0.0291773788,0.119140785,0.1021471084,GGA,P3m1,AB_hP6_156_2ab_a2b:Ga-Mg,6.0,AB_hP6_156_2ab_a2b:Ga-Mg +mp-1094858,MgGa,-2.34225752,-0.0280694837,0.12024868,0.1032550034,GGA,P-3m1,AB_hP4_164_d_d:Ga-Mg,4.0,AB_hP4_164_d_d:Ga-Mg +mp-1094617,MgGa,-2.40068066,-0.0864926237,0.06182554,0.0448318634,GGA,R-3m,AB_hR6_166_a_b:Ga-Mg,2.0,AB_hR6_166_a_b:Ga-Mg +mp-1094992,MgGa,-1.79823658,0.5159514563,0.66426962,0.6472759434,GGA,P6_3mc,AB_hP4_186_b_b:Ga-Mg,4.0,AB_hP4_186_b_b:Ga-Mg +mp-1094627,MgGa,-2.3291878333,-0.0149997971,0.1333183667,0.1163246901,GGA,P-6m2,AB_hP6_187_ah_dg:Ga-Mg,6.0,"Invalid WP multiplicities - AB_hP6_187_ah_d2g:Ga-Mg, expected Mg5Ga3 to be MgGa" +mp-1094850,MgGa,-2.40768847,-0.0935004338,0.05481773,0.0378240534,GGA,P-6m2,AB_hP2_187_a_d:Ga-Mg,2.0,AB_hP2_187_a_d:Ga-Mg +mp-1095013,MgGa,-2.0325480075,0.2816400288,0.4299581925,0.4129645159,GGA,P6_3/mmc,AB_hP4_194_c_d:Ga-Mg,4.0,AB_hP4_194_c_d:Ga-Mg +mp-1094654,MgGa,-1.77746248,0.5367255562000001,0.68504372,0.6680500434000001,GGA,F-43m,AB_cF8_216_a_c:Ga-Mg,2.0,AB_cF8_216_a_c:Ga-Mg +mp-1094849,MgGa,-2.440367895,-0.1261798588,0.022138305,0.0051446284,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Mg,2.0,AB_cP2_221_a_b:Ga-Mg +mp-1094636,MgGa,-2.17592409,0.1382639462,0.28658211,0.2695884334,GGA,Fm-3m,AB_cF8_225_a_b:Ga-Mg,2.0,AB_cF8_225_a_b:Ga-Mg +mp-574004,GdMgGa,-6.7293876478,-0.4945548769,0.0,-0.0662824477,GGA,P-62m,ABC_hP9_189_ad_f_g:Ga-Gd-Mg,9.0,ABC_hP9_189_ad_f_g:Ga-Gd-Mg +mp-1094612,Mg5Ga,-1.8677818217,-0.0295324429,0.0566909804,0.0566909804,GGA,Cm,AB5_mC12_8_a_5a:Ga-Mg,6.0,AB5_mC12_8_a_5a:Ga-Mg +mp-1094626,Mg5Ga,-1.8654282833,-0.0271789046,0.0590445188,0.0590445188,GGA,Amm2,AB5_oC12_38_a_2a3b:Ga-Mg,6.0,AB5_oC12_38_a_2a3b:Ga-Mg +mp-1094657,Mg5Ga,-1.871685155,-0.0334357763,0.0527876471,0.0527876471,GGA,R32,AB5_hR18_155_a_ce:Ga-Mg,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Ga-Mg, expected Mg10Ga to be Mg5Ga" +mp-1094631,Mg5Ga,-1.84631753,-0.0080681513,0.0781552721,0.0781552721,GGA,P-6m2,AB5_hP6_187_a_dgh:Ga-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Ga-Mg, expected Mg9Ga to be Mg5Ga" +mp-1094606,Mg5Ga,-1.8690132267,-0.0307638479,0.0554595754,0.0554595754,GGA,P-62m,AB5_hP6_189_a_cg:Ga-Mg,6.0,AB5_hP6_189_a_cg:Ga-Mg +mp-865386,GdGa3,-6.33861051,-0.5485079331,0.0,-0.0385600813,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Gd,8.0,A3B_hP8_194_h_c:Ga-Gd +mp-2636,GdMg,-7.94441175,-0.106210605,0.0,-0.0348590617,GGA,Pm-3m,AB_cP2_221_a_b:Gd-Mg,2.0,AB_cP2_221_a_b:Gd-Mg +mp-19773,GdGa2,-7.3654257033,-0.6546542750000001,0.0,-0.0786067508,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Gd,3.0,A2B_hP3_191_c_b:Ga-Gd +mp-1225566,Er3Mg,-3.842843795,-0.016984675,0.0164901025,0.0164901025,GGA,P4/mmm,A3B_tP4_123_ah_b:Er-Mg,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Er-Mg, expected Er5Mg to be Er3Mg" +mp-1184193,Er3Mg,-3.8164348525,0.0094242675,0.042899045,0.042899045,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Mg,8.0,A3B_hP8_194_h_c:Er-Mg +mp-11368,Er5Ga3,-4.4689802194,-0.4786199547,0.0303811505,0.0303811505,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Ga,16.0,A5B3_hP16_193_dg_g:Er-Ga +mp-2422,ErGa2,-4.1511313833,-0.609827765,0.0,-0.0077211546,GGA,P6/mmm,AB2_hP3_191_a_d:Er-Ga,3.0,AB2_hP3_191_a_d:Er-Ga +mp-2218,Er5Mg24,-2.146606229,-0.0346988066,0.0114634435,0.0114634435,GGA,I-43m,A5B24_cI58_217_ac_2g:Er-Mg,29.0,"Invalid WP multiplicities - A5B24_cI58_217_ac_3g:Er-Mg, expected Er5Mg36 to be Er5Mg24" +mp-2228,ErMg,-3.150948985,-0.066949555,0.0,-0.0174250758,GGA,Pm-3m,AB_cP2_221_a_b:Er-Mg,2.0,AB_cP2_221_a_b:Er-Mg +mp-1184090,Er2MgGa,-3.7657179925,-0.3247645694,0.043858688,0.043858688,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ga-Mg,4.0,A2BC_cF16_225_c_a_b:Er-Ga-Mg +mp-862915,Er2Mg,-3.6226919183,-0.0441193617,0.000513675,0.000513675,GGA,Cmcm,A2B_oC12_63_2c_c:Er-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Er-Mg, expected Er4Mg to be Er2Mg" +mp-1225520,Er2Mg,-3.5288283767,0.04974418,0.0943772167,0.0943772167,GGA,Fmmm,A2B_oF12_69_g_a:Er-Mg,3.0,A2B_oF12_69_g_a:Er-Mg +mp-13497,Er2Mg,-3.6063545333,-0.0277819767,0.01685106,0.01685106,GGA,I4/mmm,A2B_tI6_139_e_a:Er-Mg,3.0,A2B_tI6_139_e_a:Er-Mg +mp-1184165,Er3Ga,-4.4217581,-0.2389449869,0.1003890833,0.1003890833,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Ga,4.0,A3B_cP4_221_c_a:Er-Ga +mp-30607,ErMg2,-2.6424789742,-0.0530526708,0.0064050642,0.0064050642,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Mg,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Er-Mg, expected Er2Mg7 to be ErMg2" +mp-1184269,ErMg2,-2.6443559,-0.0549295967,0.0045281383,0.0045281383,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Mg,6.0,AB2_cF24_227_a_d:Er-Mg +mp-1207050,ErMgGa,-3.5457010633,-0.4803361025,0.0,-0.0546255423,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Ga-Mg,9.0,ABC_hP9_189_f_ad_g:Er-Ga-Mg +mp-1197972,Er3Ga5,-4.2452867094,-0.6398321416,0.0,-0.0257434456,GGA,Pnma,A3B5_oP32_62_cd_3cd:Er-Ga,32.0,A3B5_oP32_62_cd_3cd:Er-Ga +mp-1213556,ErGa6,-1.6476647643,1.6003773707,1.9013233982,1.9013233982,GGA,P4/mmm,AB6_tP14_123_e_is:Er-Ga,14.0,AB6_tP14_123_e_is:Er-Ga +mp-1103883,ErGa6,-3.5277569236,-0.2797147886,0.0212312389,0.0212312389,GGA,P4/nbm,AB6_tP14_125_c_gm:Er-Ga,14.0,AB6_tP14_125_c_gm:Er-Ga +mp-1184181,Er5Mg,-4.054925595,0.0182200883,0.0405366067,0.0405366067,GGA,R32,A5B_hR18_155_cd_b:Er-Mg,6.0,A5B_hR18_155_cd_b:Er-Mg +mp-1184195,ErGa3,-3.9195948937,-0.5065931744000001,0.0200623738,-0.0411898366,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Ga,8.0,AB3_hP8_194_c_h:Er-Ga +mp-398,ErGa3,-3.9396572675,-0.5266555481,0.0,-0.0612522103,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Ga,4.0,AB3_cP4_221_a_c:Er-Ga +mp-1184255,ErMg5,-2.0823265567,0.01252662,0.0579814942,0.0579814942,GGA,Cm,AB5_mC12_8_a_5a:Er-Mg,6.0,AB5_mC12_8_a_5a:Er-Mg +mp-1184241,ErMg5,-2.103969265,-0.0091160883,0.0363387858,0.0363387858,GGA,Amm2,AB5_oC12_38_a_2a3b:Er-Mg,6.0,AB5_oC12_38_a_2a3b:Er-Mg +mp-1184297,ErMg5,-2.0619790683,0.0328741083,0.0783289825,0.0783289825,GGA,P-6m2,AB5_hP6_187_a_dgh:Er-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Er-Mg, expected ErMg9 to be ErMg5" +mp-1198546,Er3Ga2,-4.4948042073,-0.5429345123,0.0,-0.0346642507,GGA,I4/mcm,A3B2_tI80_140_ghm_achl:Er-Ga,40.0,A3B2_tI80_140_ghm_achl:Er-Ga +mp-1185250,ErMg149,-1.6458245036,-0.0257615285,0.0,-0.0242758799,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Er-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Er-Mg, expected ErMg315 to be ErMg149" +mp-1018077,ErGa,-4.424778905,-0.6268714888,0.0,-0.0408713635,GGA,Cmcm,AB_oC8_63_c_c:Er-Ga,4.0,AB_oC8_63_c_c:Er-Ga +mp-1184313,ErMg3,-2.3880722225,-0.0459324825,0.0097793425,0.0015562805,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Mg,8.0,AB3_hP8_194_c_h:Er-Mg +mp-862681,ErMg3,-2.397851565,-0.055711825,0.0,-0.008223062,GGA,Fm-3m,AB3_cF16_225_a_bc:Er-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Er-Mg, expected ErMg5 to be ErMg3" +mp-1209724,Pr4Al,-4.121362961,0.452476809,0.607066167,0.607066167,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Pr,10.0,AB4_cF40_227_a_e:Al-Pr +mp-1106232,PrAl,-4.6463645425,-0.38312375,0.003349645,-0.0151836775,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Pr,16.0,AB_oP16_57_cd_2d:Al-Pr +mp-568417,PrAl,-4.6497141875,-0.386473395,0.0,-0.0185333225,GGA,Cmcm,AB_oC16_63_ac_g:Al-Pr,8.0,AB_oC16_63_ac_g:Al-Pr +mp-10902,PrAl,-4.598847245,-0.3356064525,0.0508669425,0.03233362,GGA,Pm-3m,AB_cP2_221_a_b:Al-Pr,2.0,AB_cP2_221_a_b:Al-Pr +mp-1219953,PrDyAl4,-4.5550507317,-0.4933847458,0.0103245867,0.0103245867,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-Pr,6.0,A4BC_cF24_216_e_a_c:Al-Dy-Pr +mp-1103225,Pr2Al,-4.6692953225,-0.2334995425,0.0241493875,0.0241493875,GGA,Pnma,AB2_oP12_62_c_2c:Al-Pr,12.0,AB2_oP12_62_c_2c:Al-Pr +mp-1189,PrAl2,-4.5812725683,-0.4905867633,0.0,-0.0697531592,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Pr,6.0,A2B_cF24_227_c_b:Al-Pr +mp-1186708,Pr3Dy,-4.71900758,0.0183684463,0.0183684463,0.0183684463,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-Pr,4.0,AB3_tI8_139_a_bd:Dy-Pr +mp-1186713,Pr3Dy,-4.7070015037,0.0303745225,0.0303745225,0.0303745225,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Pr,8.0,AB3_hP8_194_c_h:Dy-Pr +mp-1186705,Pr3Dy,-4.727828045,0.0095479813,0.0095479813,0.0095479813,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pr,4.0,AB3_cP4_221_a_c:Dy-Pr +mp-1079266,Pr3Al,-4.69131862,-0.1692453462,0.0239913513,0.0239913513,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Pr,8.0,AB3_hP8_194_c_h:Al-Pr +mp-2093,Pr3Al,-4.6821515,-0.1600782262,0.0331584713,0.0331584713,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Pr,4.0,AB3_cP4_221_a_c:Al-Pr +mp-12553,PrAl3,-4.44242202,-0.4380137088,0.0,-0.026959989,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Pr,8.0,A3B_hP8_194_h_c:Al-Pr +mp-570409,PrAl3,-4.35392409,-0.3495157787,0.08849793,0.061537941,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Pr,4.0,A3B_cP4_221_c_a:Al-Pr +mp-1103934,PrAl4,-4.2625503993,-0.3099085843,0.0419283367,0.0419283367,GGA,Imm2,A4B_oI30_44_2a2b4c_ac:Al-Pr,15.0,"Invalid WP multiplicities - A4B_tI10_139_2d2e_a:Al-Pr, expected PrAl8 to be PrAl4" +mp-2336,PrAl4,-4.267676294,-0.315034479,0.036802442,0.036802442,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Pr,5.0,"Invalid WP multiplicities - A4B_tI10_139_d2e_a:Al-Pr, expected PrAl6 to be PrAl4" +mp-1186520,PrDy3,-4.624742405,0.0255741637,0.0255741637,0.0255741637,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Pr,4.0,A3B_tI8_139_ad_b:Dy-Pr +mp-1186524,PrDy3,-4.6270370688,0.0232794999999999,0.0232794999999999,0.0232794999999999,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Pr,8.0,A3B_hP8_194_h_c:Dy-Pr +mp-976138,PrDy3,-4.63041964,0.0198969287,0.0198969287,0.0198969287,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Pr,4.0,A3B_cP4_221_c_a:Dy-Pr +mp-1103785,Pr3Al11,-4.3444003721,-0.3769681296,0.0,-0.0015278079,GGA,Immm,A11B3_oI28_71_bf2n_ag:Al-Pr,14.0,A11B3_oI28_71_bf2n_ag:Al-Pr +mp-1093569,Li2ZnPd,-1.49903568,1.0653321083,1.4514447558,1.4514447558,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Pd-Zn,4.0,A2BC_oI8_71_e_a_b:Li-Pd-Zn +mp-867258,LiZnPd2,-3.969741735,-0.5876342108,0.0,-0.080640245,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Zn +mp-976414,Li3Zn,-1.8458110625,-0.09918301,0.0101572233,0.0101572233,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Zn,4.0,A3B_tI8_139_ad_b:Li-Zn +mp-1185291,Li3Zn,-1.8444518487,-0.0978237962,0.0115164371,0.0115164371,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Zn,8.0,A3B_hP8_194_h_c:Li-Zn +mp-976412,Li3Zn,-1.8501864525,-0.1035584,0.0057818333,0.0057818333,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Zn,4.0,A3B_cF16_225_ac_b:Li-Zn +mp-1210982,LiZn2,-1.3878395975,0.0882970981,0.2752141683,0.2752141683,GGA,Fd-3m,AB2_cF48_227_c_e:Li-Zn,12.0,AB2_cF48_227_c_e:Li-Zn +mp-1193737,LiZn13,-1.3397315236,-0.0336179667,0.0152492825,0.0152492825,GGA,Fm-3c,AB13_cF112_226_a_bi:Li-Zn,28.0,AB13_cF112_226_a_bi:Li-Zn +mp-1934,LiZn,-1.803013705,-0.2186804667,0.0,-0.0813835806,GGA,Fd-3m,AB_cF16_227_a_b:Li-Zn,4.0,AB_cF16_227_a_b:Li-Zn +mp-867250,LiZn2Pd,-2.8677222650000003,-0.4656492908,0.0,-0.0681687125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Pd-Zn +mp-1222288,LiZn3,-1.514402345,-0.0923639208,0.0786714512,0.0183634208,GGA,P-6m2,AB3_hP4_187_a_bh:Li-Zn,4.0,AB3_hP4_187_a_bh:Li-Zn +mp-975799,LiZn3,-1.5930737962,-0.1710353721,0.0,-0.0603080304,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Zn,8.0,AB3_hP8_194_c_h:Li-Zn +mp-865907,LiZn3,-1.5914250175,-0.1693865933,0.0016487787,-0.0586592517,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Zn,4.0,AB3_cF16_225_a_bc:Li-Zn +mp-1185596,Mg149Al,-1.6418165332,-0.0272345113,0.0,-0.0267990395,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Al-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Al-Mg, expected Mg315Al to be Mg149Al" +mp-568106,Mg41Al67,-2.9023424592,0.0288155284,0.0517000434,0.0517000434,GGA,Pm-3m,A67B41_cP108_221_aeh2il_cfgm:Al-Mg,108.0,"Invalid WP multiplicities - A67B41_cP108_221_a5e11h21i14l_3c6f8g12m:Al-Mg, expected Mg397Al751 to be Mg41Al67" +mp-972892,MgHg5,-0.546131765,-0.0263514525,0.0454216583,0.0454216583,GGA,Amm2,A5B_oC12_38_2a3b_a:Hg-Mg,6.0,A5B_oC12_38_2a3b_a:Hg-Mg +mp-981382,MgHg5,-0.5492544833,-0.0294741708,0.04229894,0.04229894,GGA,R32,A5B_hR18_155_cd_b:Hg-Mg,6.0,A5B_hR18_155_cd_b:Hg-Mg +mp-2351903,MgHg5,-0.5499210483,-0.0301407358,0.041632375,0.041632375,GGA,R32,A5B_hR18_155_cd_b:Hg-Mg,6.0,A5B_hR18_155_cd_b:Hg-Mg +mp-1185885,MgHg5,-0.5354039683,-0.0156236558,0.056149455,0.056149455,GGA,P-6m2,A5B_hP6_187_agh_d:Hg-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_ag2h_d:Hg-Mg, expected MgHg7 to be MgHg5" +mp-1185887,MgHg5,-0.5458769883,-0.0260966758,0.045676435,0.045676435,GGA,P-62m,A5B_hP6_189_cg_a:Hg-Mg,6.0,A5B_hP6_189_cg_a:Hg-Mg +mp-1185739,Mg17Al11Hg,-2.4027415428,-0.0334389447,0.0111031566,0.0111031566,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-Hg-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-Hg-Mg, expected Mg27Al19Hg to be Mg17Al11Hg" +mp-30719,Mg2Hg,-1.3631438433,-0.1950636883,0.0024985925,0.0024985925,GGA,Pnma,AB2_oP12_62_c_2c:Hg-Mg,12.0,AB2_oP12_62_c_2c:Hg-Mg +mp-1185579,Mg149Hg,-1.6223447852,-0.0307087331,0.0,-0.0265442572,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Hg-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Hg-Mg, expected Mg315Hg to be Mg149Hg" +mp-1023506,Mg15Al,-1.7229063675,0.0114546688,0.0386610355,0.0386610355,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Al-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Al-Mg, expected Mg27Al to be Mg15Al" +mp-1016271,Mg7Al,-1.8536331962,0.0148088263,0.0419836878,0.0419836878,GGA,P-6m2,AB7_hP8_187_a_djk:Al-Mg,8.0,AB7_hP8_187_a_djk:Al-Mg +mp-12766,Mg13Al14,-2.6485974481,0.0640581915,0.0889862643,0.0889862643,GGA,Im-3m,A14B13_cI54_229_ef_ah:Al-Mg,27.0,"Invalid WP multiplicities - A14B13_cI54_229_e2f_ah:Al-Mg, expected Mg13Al22 to be Mg13Al14" +mp-1185675,Mg16Al12Hg,-2.4731264869,-0.0298481722,0.0140020661,0.0140020661,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-Hg-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-Hg-Mg, expected Mg26Al20Hg to be Mg16Al12Hg" +mp-1185668,Mg16Al12Hg,-2.4690989266,-0.0258206119,0.0180296265,0.0180296265,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Hg-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a9b5c:Al-Hg-Mg, expected Mg58Al48Hg to be Mg16Al12Hg" +mp-1194114,Mg13Al16,-2.7639617307,0.0199297841,0.0441916186,0.0441916186,GGA,I-43m,A16B13_cI58_217_cg_ag:Al-Mg,29.0,A16B13_cI58_217_cg_ag:Al-Mg +mp-1185877,MgHg2,-0.8422457883000001,-0.1063655283,0.0371806933,0.0371806933,GGA,C2/m,A2B_mC12_12_2i_i:Hg-Mg,6.0,A2B_mC12_12_2i_i:Hg-Mg +mp-1185878,MgHg2,-0.8595278767000001,-0.1236476167,0.019898605,0.019898605,GGA,C2/m,A2B_mC12_12_2i_i:Hg-Mg,6.0,A2B_mC12_12_2i_i:Hg-Mg +mp-11464,MgHg2,-0.8585959233,-0.1227156633,0.0208305583,0.0208305583,GGA,I4/mmm,A2B_tI6_139_e_a:Hg-Mg,3.0,A2B_tI6_139_e_a:Hg-Mg +mp-1185886,MgHg2,-0.8559636583,-0.1200833983,0.0234628233,0.0234628233,GGA,C2/c,A2B_mC12_15_f_e:Hg-Mg,6.0,A2B_mC12_15_f_e:Hg-Mg +mp-1185876,MgHg2,-0.8384150433,-0.1025347833,0.0410114383,0.0410114383,GGA,Cmcm,A2B_oC12_63_2c_c:Hg-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Hg-Mg, expected MgHg4 to be MgHg2" +mp-1185810,Mg5Hg,-1.4458044283,-0.0616243258,0.0515780699,0.0515780699,GGA,Cm,AB5_mC12_8_a_5a:Hg-Mg,6.0,AB5_mC12_8_a_5a:Hg-Mg +mp-1185805,Mg5Hg,-1.46953404,-0.0853539375,0.0278484582,0.0278484582,GGA,Amm2,AB5_oC12_38_a_2a3b:Hg-Mg,6.0,AB5_oC12_38_a_2a3b:Hg-Mg +mp-973295,Mg5Hg,-1.46422985,-0.0800497475,0.0331526482,0.0331526482,GGA,R32,AB5_hR18_155_a_ce:Hg-Mg,6.0,AB5_hR18_155_a_ce:Hg-Mg +mp-1185814,Mg5Hg,-1.457564055,-0.0733839525,0.0398184432,0.0398184432,GGA,P-62m,AB5_hP6_189_a_cg:Hg-Mg,6.0,AB5_hP6_189_a_cg:Hg-Mg +mp-569103,Mg3Hg,-1.3975665167,-0.1214363879,0.0347314571,0.033174661,GGA,R32,AB3_hR72_155_de_3c2f:Hg-Mg,24.0,"Invalid WP multiplicities - AB3_hR72_155_2de_6c8f:Hg-Mg, expected Mg20Hg3 to be Mg3Hg" +mp-731,Mg3Hg,-1.3890182713,-0.1128881425,0.0432797025,0.0417229064,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Hg-Mg,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Hg-Mg, expected Mg5Hg to be Mg3Hg" +mp-1185784,Mg3Hg,-1.4322979737,-0.156167845,0.0,-0.0015567961,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Mg,8.0,AB3_hP8_194_c_h:Hg-Mg +mp-978282,Mg3Hg,-1.4080430825,-0.1319129538,0.0242548912,0.0226980951,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Mg,4.0,AB3_cP4_221_a_c:Hg-Mg +mp-11465,Mg5Hg3,-1.3323146669,-0.2182594988,0.0,-0.0181318994,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Hg-Mg,16.0,A3B5_hP16_193_g_dg:Hg-Mg +mp-1210739,Mg2Al3,-2.7935192425,0.0939382755,0.117231502,0.117231502,GGA,I4_1/amd,A3B2_tI40_141_ch_h:Al-Mg,20.0,A3B2_tI40_141_ch_h:Al-Mg +mp-1039192,MgAl2,-2.3715865267,0.65889071,0.680846335,0.6767635087,GGA,P4_2/mnm,A2B_tP6_136_f_a:Al-Mg,6.0,A2B_tP6_136_f_a:Al-Mg +mp-1102064,MgAl2,-3.0108273558,0.0196498808,0.0416055058,0.0375226795,GGA,I4_1/amd,A2B_tI24_141_2e_e:Al-Mg,12.0,A2B_tI24_141_2e_e:Al-Mg +mp-1222013,MgAl2,-2.9866134533,0.0438637833,0.0658194083,0.061736582,GGA,P-3m1,A2B_hP3_164_d_a:Al-Mg,3.0,A2B_hP3_164_d_a:Al-Mg +mp-1094116,MgAl2,-3.0524328617,-0.021955625,0.0,-0.0040828263,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Al-Mg,12.0,A2B_hP12_194_ah_f:Al-Mg +mp-1094700,Mg18Al11,-2.4294017883,-0.0153888562,0.0116578118,0.0116578118,GGA,Cm,A11B18_mC58_8_a5b_6a6b:Al-Mg,29.0,"Invalid WP multiplicities - A11B18_mC58_8_a5b_6a7b:Al-Mg, expected Mg20Al11 to be Mg18Al11" +mp-17659,Mg23Al30,-2.8378667766000003,-0.0232683606,0.0007062856,0.0007062856,GGA,R-3,A30B23_hR159_148_5f_a2c3f:Al-Mg,53.0,"Invalid WP multiplicities - A30B23_hR159_148_6f_a2c3f:Al-Mg, expected Mg23Al36 to be Mg23Al30" +mp-1185881,MgHg3,-0.6830946250000001,-0.0552643387,0.0523953275,0.0523953275,GGA,Pmm2,A3B_oP4_25_abc_d:Hg-Mg,4.0,A3B_oP4_25_abc_d:Hg-Mg +mp-1185883,MgHg3,-0.6890092225000001,-0.0611789362,0.04648073,0.04648073,GGA,Imm2,A3B_oI8_44_ac_b:Hg-Mg,4.0,A3B_oI8_44_ac_b:Hg-Mg +mp-1185879,MgHg3,-0.6914765525000001,-0.0636462662,0.0440134,0.0440134,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Mg,4.0,A3B_tI8_139_ad_b:Hg-Mg +mp-1205873,MgHg3,-0.70692523,-0.0790949437,0.0285647225,0.0285647225,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Hg-Mg,8.0,A3B_hP8_194_bf_c:Hg-Mg +mp-1185880,MgHg3,-0.694285865,-0.0664555787,0.0412040875,0.0412040875,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Mg,4.0,A3B_cP4_221_c_a:Hg-Mg +mp-1016233,Mg3Al,-2.108918845,0.02768515,0.0547970012,0.0547970012,GGA,Pmm2,AB3_oP4_25_a_bcd:Al-Mg,4.0,AB3_oP4_25_a_bcd:Al-Mg +mp-1094961,Mg3Al,-2.1197244125,0.0168795825,0.0439914337,0.0439914337,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Mg,4.0,AB3_tI8_139_a_bd:Al-Mg +mp-1094970,Mg3Al,-2.1293303075,0.0072736875,0.0343855387,0.0343855387,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Mg,8.0,AB3_hP8_194_c_h:Al-Mg +mp-978271,Mg3Al,-2.1373769575,-0.0007729625,0.0263388887,0.0263388887,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Mg,4.0,AB3_cP4_221_a_c:Al-Mg +mp-1094666,Mg3Al,-2.0882992975,0.0483046975,0.0754165487,0.0754165487,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Mg,4.0,AB3_cF16_225_a_bc:Al-Mg +mp-2151,Mg17Al12,-2.5150179345,-0.0270292859,0.0,-0.0026814537,GGA,I-43m,A12B17_cI58_217_g_acg:Al-Mg,29.0,A12B17_cI58_217_g_acg:Al-Mg +mp-1408,MgHg,-1.16729954,-0.2153193325,0.0,-0.0376077832,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Mg,2.0,AB_cP2_221_a_b:Hg-Mg +mp-1094685,Mg16Al13,-2.5843093976,-0.0223450324,0.0039923906,0.0039923906,GGA,Cm,A13B16_mC58_8_3a5b_4a6b:Al-Mg,29.0,"Invalid WP multiplicities - A13B16_mC58_8_3a5b_4a7b:Al-Mg, expected Mg18Al13 to be Mg16Al13" +mp-1094692,Mg16Al13,-2.5806826586,-0.0187182934,0.0076191296,0.0076191296,GGA,R3m,A13B16_hR87_160_a2bc_a3bc:Al-Mg,29.0,"Invalid WP multiplicities - A13B16_hR87_160_a4b3c_a7b4c:Al-Mg, expected Mg46Al31 to be Mg16Al13" +mp-1094683,Mg16Al13,-2.5778545331,-0.0158901679,0.0104472551,0.0104472551,GGA,I-43m,A13B16_cI58_217_ag_cg:Al-Mg,29.0,"Invalid WP multiplicities - A13B16_cI58_217_ag_c2g:Al-Mg, expected Mg28Al13 to be Mg16Al13" +mp-1094987,MgAl,-2.64354515,0.02938279,0.0546824188,0.0546824188,GGA,Pmma,AB_oP4_51_e_f:Al-Mg,4.0,AB_oP4_51_e_f:Al-Mg +mp-1039141,MgAl,-2.67368411,-0.00075617,0.0245434588,0.0245434588,GGA,P4/mmm,AB_tP2_123_a_d:Al-Mg,2.0,AB_tP2_123_a_d:Al-Mg +mp-1038779,MgAl,-2.622878,0.05004994,0.0753495688,0.0753495688,GGA,R-3m,AB_hR6_166_a_b:Al-Mg,2.0,AB_hR6_166_a_b:Al-Mg +mp-1039019,MgAl,-2.634439555,0.038488385,0.0637880137,0.0637880137,GGA,P-6m2,AB_hP2_187_a_d:Al-Mg,2.0,AB_hP2_187_a_d:Al-Mg +mp-1094664,MgAl,-2.0706783225,0.6022496175000001,0.6275492463,0.6275492463,GGA,P6_3/mmc,AB_hP4_194_c_d:Al-Mg,4.0,AB_hP4_194_c_d:Al-Mg +mp-1038818,MgAl,-1.78490112,0.88802682,0.9133264488,0.9133264488,GGA,F-43m,AB_cF8_216_a_c:Al-Mg,2.0,AB_cF8_216_a_c:Al-Mg +mp-1038934,MgAl,-2.60800495,0.06492299,0.0902226187,0.0902226187,GGA,Pm-3m,AB_cP2_221_a_b:Al-Mg,2.0,AB_cP2_221_a_b:Al-Mg +mp-1039010,MgAl,-2.22699302,0.44593492,0.4712345488,0.4712345488,GGA,Fm-3m,AB_cF8_225_a_b:Al-Mg,2.0,AB_cF8_225_a_b:Al-Mg +mp-1038916,MgAl3,-3.2006925525,0.0085593325,0.0250260512,0.0250260512,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Mg,4.0,A3B_tI8_139_ad_b:Al-Mg +mp-1039119,MgAl3,-3.1913881638,0.0178637212,0.03433044,0.03433044,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Mg,8.0,A3B_hP8_194_h_c:Al-Mg +mp-1039180,MgAl3,-3.1239391875,0.0853126975,0.1017794162,0.1017794162,GGA,Fm-3m,A3B_cF16_225_ac_b:Al-Mg,4.0,A3B_cF16_225_ac_b:Al-Mg +mp-1094492,MgZn2,-1.3864668367,-0.01321108,0.1198869517,0.1077406364,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Zn,6.0,AB2_mC12_8_2a_4a:Mg-Zn +mp-1094432,MgZn2,-1.4082261367,-0.03497038,0.0981276517,0.0859813364,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094456,MgZn2,-1.38295544,-0.0096996833,0.1233983483,0.1112520331,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094504,MgZn2,-1.3797845967,-0.00652884,0.1265691917,0.1144228764,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094461,MgZn2,-1.4218396083,-0.0485838517,0.08451418,0.0723678648,GGA,C2/c,AB2_mC12_15_e_f:Mg-Zn,6.0,AB2_mC12_15_e_f:Mg-Zn +mp-1094191,MgZn2,-1.404438135,-0.0311823783,0.1019156533,0.0897693381,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Zn,6.0,AB2_oC12_38_2a_a3b:Mg-Zn +mp-567626,MgZn2,-1.3683162,0.0049395567,0.1380375883,0.1258912731,GGA,Cmcm,AB2_oC12_63_c_ac:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_2a2c:Mg-Zn, expected MgZn4 to be MgZn2" +mp-1094198,MgZn2,-1.4336042383,-0.0603484817,0.07274955,0.0606032348,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Zn,6.0,AB2_oC12_63_c_g:Mg-Zn +mp-1094439,MgZn2,-1.4330749667,-0.05981921,0.0732788217,0.0611325064,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094460,MgZn2,-1.378067545,-0.0048117883,0.1282862433,0.1161399281,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094483,MgZn2,-1.4406219617,-0.067366205,0.0657318267,0.0535855114,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094500,MgZn2,-1.3725823133,0.0006734433,0.133771475,0.1216251598,GGA,R32,AB2_hR18_155_c_ae:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Mg-Zn, expected Mg2Zn7 to be MgZn2" +mp-1094426,MgZn2,-1.3586511433,0.0146046133,0.147702645,0.1355563298,GGA,P-6m2,AB2_hP6_187_g_adh:Mg-Zn,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Mg-Zn, expected MgZn3 to be MgZn2" +mp-1094463,MgZn2,-1.3921483233,-0.0188925667,0.114205465,0.1020591498,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Zn,6.0,AB2_hP6_189_c_ag:Mg-Zn +mp-1124,MgZn2,-1.5028619158,-0.1296061592,0.0034918725,-0.0086544427,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Mg-Zn,12.0,AB2_hP12_194_f_ah:Mg-Zn +mp-1094436,MgZn2,-1.3597302017,0.013525555,0.1466235867,0.1344772714,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mg-Zn,6.0,AB2_hP6_194_c_f:Mg-Zn +mp-978269,MgZn2,-1.5063537883,-0.1330980317,0.0,-0.0121463152,GGA,Fd-3m,AB2_cF24_227_a_d:Mg-Zn,6.0,AB2_cF24_227_a_d:Mg-Zn +mp-935148,Mg4Zn7,-1.5136196953,-0.1300446525,0.0021131601,0.0021131601,GGA,C2,A4B7_mC110_5_10c_a17c:Mg-Zn,55.0,"Invalid WP multiplicities - A4B7_mC110_5_19c_a34c:Mg-Zn, expected Mg38Zn69 to be Mg4Zn7" +mp-1189726,TmZn3,-2.4206570444,-0.356890481,0.0,-0.011238681,GGA,Pnma,AB3_oP16_62_c_3c:Tm-Zn,16.0,AB3_oP16_62_c_3c:Tm-Zn +mp-1094445,MgZn,-1.4667924033,-0.0367805733,0.0842701555,0.0842701555,GGA,C2,AB_mC12_5_ac_bc:Mg-Zn,6.0,AB_mC12_5_ac_bc:Mg-Zn +mp-1094435,MgZn,-1.4561924417,-0.0261806117,0.0948701171,0.0948701171,GGA,Cm,AB_mC12_8_3a_3a:Mg-Zn,6.0,AB_mC12_8_3a_3a:Mg-Zn +mp-1094493,MgZn,-1.428647365,0.001364465,0.1224151938,0.1224151938,GGA,Cm,AB_mC12_8_3a_3a:Mg-Zn,6.0,AB_mC12_8_3a_3a:Mg-Zn +mp-1094505,MgZn,-1.480135205,-0.050123375,0.0709273538,0.0709273538,GGA,C2/m,AB_mC8_12_i_i:Mg-Zn,4.0,AB_mC8_12_i_i:Mg-Zn +mp-1094474,MgZn,-1.4501618433,-0.0201500133,0.1009007155,0.1009007155,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Zn,6.0,AB_oC12_38_2ab_a2b:Mg-Zn +mp-1094475,MgZn,-1.5066592283,-0.0766473983,0.0444033305,0.0444033305,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Zn,6.0,AB_oC12_38_2ab_a2b:Mg-Zn +mp-1094488,MgZn,-1.4513396383,-0.0213278083,0.0997229205,0.0997229205,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Zn,6.0,AB_oC12_38_2ab_a2b:Mg-Zn +mp-1094490,MgZn,-1.46874308,-0.03873125,0.0823194788,0.0823194788,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Zn,6.0,AB_oC12_38_ae_bd:Mg-Zn +mp-2415538,MgZn,-1.4843221467,-0.0543103167,0.0667404121,0.0667404121,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Zn,6.0,AB_oC12_38_ae_bd:Mg-Zn +mp-978268,MgZn,-1.51822967,-0.08821784,0.0328328888,0.0328328888,GGA,Pmma,AB_oP4_51_e_f:Mg-Zn,4.0,AB_oP4_51_e_f:Mg-Zn +mp-1094956,MgZn,-1.447040565,-0.017028735,0.1040219938,0.1040219938,GGA,Pmmn,AB_oP4_59_a_b:Mg-Zn,4.0,AB_oP4_59_a_b:Mg-Zn +mp-1094862,MgZn,-1.49810425,-0.06809242,0.0529583088,0.0529583088,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Zn,2.0,AB_tP2_123_a_d:Mg-Zn +mp-1094429,MgZn,-1.4276699917,0.0023418383,0.1233925671,0.1233925671,GGA,P3m1,AB_hP6_156_2ab_a2b:Mg-Zn,6.0,AB_hP6_156_2ab_a2b:Mg-Zn +mp-1094788,MgZn,-1.421632685,0.008379145,0.1294298738,0.1294298738,GGA,P-3m1,AB_hP4_164_d_d:Mg-Zn,4.0,AB_hP4_164_d_d:Mg-Zn +mp-1094477,MgZn,-1.43960087,-0.00958904,0.1114616888,0.1114616888,GGA,R-3m,AB_hR6_166_a_b:Mg-Zn,2.0,AB_hR6_166_a_b:Mg-Zn +mp-1094782,MgZn,-1.442889875,-0.012878045,0.1081726838,0.1081726838,GGA,P-6m2,AB_hP2_187_a_d:Mg-Zn,2.0,AB_hP2_187_a_d:Mg-Zn +mp-583266,MgZn,-1.5024292725,-0.0724174425,0.0486332863,0.0486332863,GGA,P6_3/mmc,AB_hP12_194_af_h:Mg-Zn,12.0,"Invalid WP multiplicities - AB_hP12_194_2a2f_h:Mg-Zn, expected Mg2Zn to be MgZn" +mp-1094779,MgZn,-1.508155975,-0.078144145,0.0429065838,0.0429065838,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Zn,2.0,AB_cP2_221_a_b:Mg-Zn +mp-1094741,MgZn3,-1.3655835475,-0.0207058275,0.0817472692,0.0817472692,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-Zn,4.0,AB3_oP4_25_a_bcd:Mg-Zn +mp-1094430,MgZn3,-1.3659630475,-0.0210853275,0.0813677692,0.0813677692,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Zn,4.0,AB3_oI8_44_a_bc:Mg-Zn +mp-1094476,MgZn3,-1.379680015,-0.034802295,0.0676508017,0.0676508017,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Zn,4.0,AB3_tI8_139_a_bd:Mg-Zn +mp-1094920,MgZn3,-1.3332723425,0.0116053775,0.1140584742,0.1140584742,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Zn,4.0,AB3_hP4_187_a_bh:Mg-Zn +mp-1094478,MgZn3,-1.4102855238,-0.0654078038,0.037045293,0.037045293,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Zn,8.0,AB3_hP8_194_c_h:Mg-Zn +mp-1094867,MgZn3,-1.3994066475,-0.0545289275,0.0479241692,0.0479241692,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Zn,4.0,AB3_cP4_221_a_c:Mg-Zn +mp-569406,TmZn2,-2.7221274267,-0.3903532122,0.0,-0.0332151504,GGA,Imma,AB2_oI12_74_e_h:Tm-Zn,6.0,AB2_oI12_74_e_h:Tm-Zn +mp-1016243,Mg3Zn,-1.522563345,-0.007417405,0.0663389513,0.0663389513,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Zn,4.0,A3B_oP4_25_abc_d:Mg-Zn +mp-1094427,Mg3Zn,-1.51419257,0.00095337,0.0747097263,0.0747097263,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Zn,4.0,A3B_oI8_44_ac_b:Mg-Zn +mp-1094433,Mg3Zn,-1.5269714525,-0.0118255125,0.0619308438,0.0619308438,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Zn,4.0,A3B_tI8_139_ad_b:Mg-Zn +mp-1094789,Mg3Zn,-1.5196399275,-0.0044939875,0.0692623688,0.0692623688,GGA,P-6m2,A3B_hP4_187_ah_b:Mg-Zn,4.0,A3B_hP4_187_ah_b:Mg-Zn +mp-1094451,Mg3Zn,-1.5641218988,-0.0489759588,0.0247803975,0.0247803975,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Zn,8.0,A3B_hP8_194_h_c:Mg-Zn +mp-1094791,Mg3Zn,-1.5346974125,-0.0195514725,0.0542048838,0.0542048838,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Zn,4.0,A3B_cP4_221_c_a:Mg-Zn +mp-1094464,Mg3Zn,-1.5052353625,0.0099105775,0.0836669338,0.0836669338,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Zn,4.0,A3B_cF16_225_ac_b:Mg-Zn +mp-1094459,Mg5Zn,-1.5390264967,0.00449748,0.0624890454,0.0624890454,GGA,Cm,A5B_mC12_8_5a_a:Mg-Zn,6.0,A5B_mC12_8_5a_a:Mg-Zn +mp-1094434,Mg5Zn,-1.5731968183,-0.0296728417,0.0283187238,0.0283187238,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Zn,6.0,A5B_oC12_38_2a3b_a:Mg-Zn +mp-1094425,Mg5Zn,-1.541808915,0.0017150617,0.0597066271,0.0597066271,GGA,R32,A5B_hR18_155_cd_b:Mg-Zn,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Zn, expected Mg10Zn to be Mg5Zn" +mp-1094450,Mg5Zn,-1.5199605867,0.02356339,0.0815549554,0.0815549554,GGA,P-6m2,A5B_hP6_187_agh_d:Mg-Zn,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Mg-Zn, expected Mg9Zn to be Mg5Zn" +mp-1094473,Mg5Zn,-1.54346527,5.8706700000000005e-05,0.0580502721,0.0580502721,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Zn,6.0,A5B_hP6_189_cg_a:Mg-Zn +mp-1199856,TmZn5,-2.0556394747,-0.2598805625,0.0316218937,0.0316218937,GGA,P6_3/mmc,AB5_hP36_194_h_afghk:Tm-Zn,36.0,AB5_hP36_194_h_afghk:Tm-Zn +mp-1094485,MgZn5,-1.3145640617,0.0019356217,0.0737437835,0.0737437835,GGA,Cm,AB5_mC12_8_a_5a:Mg-Zn,6.0,AB5_mC12_8_a_5a:Mg-Zn +mp-580931,MgZn5,-1.3587101696,-0.0422104863,0.0295976755,0.0295976755,GGA,C2/m,AB5_mC48_12_2i_ad5i2j:Mg-Zn,24.0,"Invalid WP multiplicities - AB5_mC48_12_2i_ac8i5j:Mg-Zn, expected Mg2Zn19 to be MgZn5" +mp-1094484,MgZn5,-1.3447242817,-0.0282245983,0.0435835635,0.0435835635,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Zn,6.0,AB5_oC12_38_a_2a3b:Mg-Zn +mp-1094194,MgZn5,-1.3412304717,-0.0247307883,0.0470773735,0.0470773735,GGA,R32,AB5_hR18_155_a_ce:Mg-Zn,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Mg-Zn, expected MgZn10 to be MgZn5" +mp-1094428,MgZn5,-1.2820145,0.0344851833,0.1062933451,0.1062933451,GGA,P-6m2,AB5_hP6_187_a_dgh:Mg-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Mg-Zn, expected MgZn9 to be MgZn5" +mp-1094462,MgZn5,-1.3403790833,-0.0238794,0.0479287618,0.0479287618,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Zn,6.0,AB5_hP6_189_a_cg:Mg-Zn +mp-1023616,Mg15Zn,-1.5746492256,0.0043472969,0.0426328737,0.0426328737,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Zn,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Zn, expected Mg27Zn to be Mg15Zn" +mp-1194452,Tm6Zn23,-2.2285039666,-0.3033620503,0.0231661182,0.0231661182,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Tm-Zn,29.0,A6B23_cF116_225_e_ad2f:Tm-Zn +mp-1016279,Mg7Zn,-1.5566761588,0.0010368362,0.0511460062,0.0511460062,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Zn,8.0,A7B_hP8_187_ajk_d:Mg-Zn +mp-1094455,Mg2Zn,-1.4891198233,-0.00235192,0.0871692271,0.0871692271,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Zn,6.0,A2B_mC12_8_4a_2a:Mg-Zn +mp-1094458,Mg2Zn,-1.4975417583,-0.010773855,0.0787472921,0.0787472921,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094489,Mg2Zn,-1.48802458,-0.0012566767,0.0882644704,0.0882644704,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094503,Mg2Zn,-1.518846315,-0.0320784117,0.0574427354,0.0574427354,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094468,Mg2Zn,-1.5102296667,-0.0234617633,0.0660593838,0.0660593838,GGA,C2/c,A2B_mC12_15_f_e:Mg-Zn,6.0,A2B_mC12_15_f_e:Mg-Zn +mp-1094465,Mg2Zn,-1.5005380967000002,-0.0137701933,0.0757509538,0.0757509538,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Zn,6.0,A2B_oC12_38_a3b_2a:Mg-Zn +mp-1094422,Mg2Zn,-1.5411801933,-0.05441229,0.0351088571,0.0351088571,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094437,Mg2Zn,-1.517917045,-0.0311491417,0.0583720054,0.0583720054,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Zn,6.0,A2B_oC12_63_g_c:Mg-Zn +mp-1094440,Mg2Zn,-1.531436145,-0.0446682417,0.0448529054,0.0448529054,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094469,Mg2Zn,-1.4968052083,-0.010037305,0.0794838421,0.0794838421,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094421,Mg2Zn,-1.48531272,0.0014551833,0.0909763304,0.0909763304,GGA,R32,A2B_hR18_155_ae_c:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Mg-Zn, expected Mg7Zn2 to be Mg2Zn" +mp-1094480,Mg2Zn,-1.4651213567,0.0216465467,0.1111676938,0.1111676938,GGA,P-3m1,A2B_hP6_164_2d_d:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094438,Mg2Zn,-1.4875647,-0.0007967967,0.0887243504,0.0887243504,GGA,P-6m2,A2B_hP6_187_adg_h:Mg-Zn,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Mg-Zn, expected Mg3Zn to be Mg2Zn" +mp-1094448,Mg2Zn,-1.4918437483,-0.005075845,0.0844453021,0.0844453021,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Zn,6.0,A2B_hP6_189_ag_c:Mg-Zn +mp-1094431,Mg2Zn,-1.48681013,-4.22267e-05,0.0894789204,0.0894789204,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Zn,6.0,A2B_hP6_194_f_c:Mg-Zn +mp-1103916,TmZn12,-1.6763244623,-0.1691891744,0.0,-0.0060382612,GGA,I4/mmm,AB12_tI26_139_a_fij:Tm-Zn,13.0,AB12_tI26_139_a_fij:Tm-Zn +mp-865233,TmMgZn2,-2.478034,-0.3291333267,0.0,-0.030155864,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Tm-Zn +mp-30784,Mg2Zn11,-1.3792273879,-0.0670935564,0.0,-0.0056636956,GGA,Pm-3,A2B11_cP39_200_f_begik:Mg-Zn,39.0,A2B11_cP39_200_f_begik:Mg-Zn +mp-1202379,Tm13Zn58,-2.1583702422,-0.3097647509,0.0,-0.0146424037,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Tm-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Tm-Zn +mp-570025,Mg21Zn25,-1.5444817349000002,-0.1292758371,0.0,-0.0143244279,GGA,R-3c,A21B25_hR276_167_e3f_b2e3f:Mg-Zn,92.0,"Invalid WP multiplicities - A21B25_hR276_167_6e25f_2b11e29f:Mg-Zn, expected Mg168Zn209 to be Mg21Zn25" +mp-1185642,Mg149Zn,-1.6257329741,-0.027723167,0.0,-0.0261373834,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Zn,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Zn, expected Mg315Zn to be Mg149Zn" +mp-2316,TmZn,-3.22542274,-0.3576332233,0.0,-0.0648683142,GGA,Pm-3m,AB_cP2_221_a_b:Tm-Zn,2.0,AB_cP2_221_a_b:Tm-Zn +mp-30714,Tm2Zn17,-1.8215387347,-0.2232591444,0.0,-0.0165479177,GGA,R-3m,A2B17_hR57_166_c_cdfh:Tm-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Tm-Zn, expected Tm2Zn23 to be Tm2Zn17" +mp-1196915,Tm2Zn17,-1.8167069134,-0.2184273231,0.0048318213,-0.0117160963,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Tm-Zn,38.0,A2B17_hP38_194_bc_fgjk:Tm-Zn +mp-1186516,Pm3Ho,-4.6914960475,0.0170129119,0.0170129119,0.0170129119,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Pm,4.0,AB3_tI8_139_a_bd:Ho-Pm +mp-1186521,Pm3Ho,-4.6831190625,0.0253898969,0.0253898969,0.0253898969,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Pm,8.0,AB3_hP8_194_c_h:Ho-Pm +mp-1186584,PmHo3,-4.5997730225,0.0246692106,0.0246692106,0.0246692106,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Pm,4.0,A3B_tI8_139_ad_b:Ho-Pm +mp-984754,PmHo3,-4.60668919,0.0177530431,0.0177530431,0.0177530431,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Pm,8.0,A3B_hP8_194_h_c:Ho-Pm +mp-1186587,PmHo3,-4.6031919,0.0212503331,0.0212503331,0.0212503331,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Pm,4.0,A3B_cP4_221_c_a:Ho-Pm +mp-973796,PmHo,-4.64076338,0.0257122163,0.0257122163,0.0257122163,GGA,P-6m2,AB_hP2_187_a_d:Ho-Pm,2.0,AB_hP2_187_a_d:Ho-Pm +mp-1186586,PmHoRu2,-7.203577635,-0.2331385669,0.0253335012,0.0253335012,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pm-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-Pm-Ru +mp-867865,ReRh3,-8.707762705,-0.0734000063,0.0,-0.0230185154,GGA,P6_3/mmc,AB3_hP8_194_c_h:Re-Rh,8.0,AB3_hP8_194_c_h:Re-Rh +mp-631377,Re2PtRh,-9.0356100875,0.5455138025,0.7021871569,0.7021871569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Re-Rh,4.0,AB2C_cF16_225_a_c_b:Pt-Re-Rh +mp-1219540,Re3Pt,-10.8978617775,-0.0466830587,0.1877511963,-0.0447857525,GGA,P-6m2,AB3_hP4_187_a_bh:Pt-Re,4.0,AB3_hP4_187_a_bh:Pt-Re +mp-862589,Re3Pt,-11.0856129738,-0.234434255,0.0,-0.2325369488,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pt-Re,8.0,AB3_hP8_194_c_h:Pt-Re +mp-1219539,Re3Rh,-11.2442377925,-0.0697654362,0.0813790362,-0.0452987675,GGA,P-6m2,A3B_hP4_187_ah_b:Re-Rh,4.0,A3B_hP4_187_ah_b:Re-Rh +mp-1186923,Re3Rh,-11.3256168288,-0.1511444725,0.0,-0.1266778038,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-Rh,8.0,A3B_hP8_194_h_c:Re-Rh +mp-1219507,RePt,-9.242048095,0.0157821575,0.1720716608,0.1720716608,GGA,R-3m,AB_hR6_166_a_b:Pt-Re,2.0,AB_hR6_166_a_b:Pt-Re +mp-1219500,RePt,-9.261624865,-0.0037946125,0.1524948908,0.1524948908,GGA,P-6m2,AB_hP2_187_a_d:Pt-Re,2.0,AB_hP2_187_a_d:Pt-Re +mp-1185112,La3Pm,-4.868770835,0.0208700744,0.0208700744,0.0208700744,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Pm,4.0,A3B_tI8_139_ad_b:La-Pm +mp-1185133,LaPm3,-4.774220255,0.0226882631,0.0226882631,0.0226882631,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Pm,4.0,AB3_tI8_139_a_bd:La-Pm +mp-976823,LaPm3,-4.7645364225,0.0323720956,0.0323720956,0.0323720956,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Pm,8.0,AB3_hP8_194_c_h:La-Pm +mp-1185021,LaPmRu2,-7.15638013,-0.0975415031,0.0027448846,0.0027448846,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Pm-Ru,4.0,ABC2_cF16_225_a_b_c:La-Pm-Ru +mp-1222883,LaDy,-4.724402095,0.0469948775,0.0469948775,0.0469948775,GGA,P-6m2,AB_hP2_187_a_d:Dy-La,2.0,AB_hP2_187_a_d:Dy-La +mp-972908,La3Dy,-4.82093526,0.0327667788,0.0327667788,0.0327667788,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-La,4.0,AB3_tI8_139_a_bd:Dy-La +mp-1184989,LaDyTl2,-3.9499253525,-0.3829052929,0.0,-0.005963165,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-La-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-La-Tl +mp-669328,ReTe3Br5,-3.9161833428,-0.6228959522,0.1604713643,0.1604713643,GGA,P2_1,A5BC3_mP36_4_10a_2a_6a:Br-Re-Te,36.0,"Invalid WP multiplicities - A5BC3_mP36_4_19a_3a_12a:Br-Re-Te, expected Re3Te12Br19 to be ReTe3Br5" +mp-1102447,ReTe2,-6.6217995375,-0.3780865469,0.0581739362,0.0581739362,GGA,P-1,AB2_aP12_2_2i_4i:Re-Te,12.0,AB2_aP12_2_2i_4i:Re-Te +mp-1209284,Re3Te4Br3,-6.053760255,-0.5971712432,0.006381614,0.006381614,GGA,P-1,A3B3C4_aP40_2_6i_6i_8i:Br-Re-Te,40.0,A3B3C4_aP40_2_6i_6i_8i:Br-Re-Te +mp-1210365,Re3Br7,-5.531095494,-0.7106175075000001,0.0,-0.7106175075000001,GGA,P-1,A7B3_aP40_2_14i_6i:Br-Re,40.0,A7B3_aP40_2_14i_6i:Br-Re +mp-583070,Re2Te5,-6.2682196371,-0.4674219462,0.0,-0.1433477631,GGA,Pbca,A2B5_oP84_61_3c_a7c:Re-Te,84.0,"Invalid WP multiplicities - A2B5_oP84_61_19c_4a48c:Re-Te, expected Re19Te50 to be Re2Te5" +mp-974474,ReBr,-5.99637333,1.0024044275,1.5099883614,1.5099883614,GGA,P6_3mc,AB_hP4_186_b_b:Br-Re,4.0,AB_hP4_186_b_b:Br-Re +mp-623087,Re3(TeBr)7,-4.8499644591,-0.7200867463,0.0065502959,0.0065502959,GGA,R-3,A7B3C7_hR102_148_c2f_f_c2f:Br-Re-Te,34.0,"Invalid WP multiplicities - A7B3C7_hR102_148_2c6f_f_2c11f:Br-Re-Te, expected Re3(Te7Br4)5 to be Re3(TeBr)7" +mp-662556,Re(TeBr2)2,-4.401331615,-0.838009859,0.0,-0.0718361656,GGA,I-4,A4BC2_tI56_82_4g_g_2g:Br-Re-Te,28.0,"Invalid WP multiplicities - A4BC2_tI56_82_14g_g_8g:Br-Re-Te, expected Re(Te4Br7)2 to be Re(TeBr2)2" +mp-974469,ReTe,-7.2201961,0.5737204392,0.9009158015,0.9009158015,GGA,P6_3mc,AB_hP4_186_b_b:Re-Te,4.0,AB_hP4_186_b_b:Re-Te +mp-27398,TlBr2,-2.8909657896,-1.068065854,0.0,-0.0735140151,GGA,Pnna,A2B_oP24_52_2e_cd:Br-Tl,24.0,A2B_oP24_52_2e_cd:Br-Tl +mp-979268,Tl3Br,-2.6124746625,-0.45223522,0.1441284083,0.1441284083,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Tl,4.0,AB3_tI8_139_a_bd:Br-Tl +mp-982064,Tl3Br,-2.5867982738,-0.4265588313,0.1698047971,0.1698047971,GGA,P6_3/mmc,AB3_hP8_194_c_h:Br-Tl,8.0,AB3_hP8_194_c_h:Br-Tl +mp-27857,PdBr2,-3.51269627,-0.75071678,0.0,-0.75071678,GGA,C2/c,A2B_mC12_15_f_a:Br-Pd,6.0,A2B_mC12_15_f_c:Br-Pd +mp-1297,Tl9Pd13,-4.2426789177,-0.2153038336,0.0,-0.0234334046,GGA,P-3m1,A13B9_hP22_164_aefi_bdi:Pd-Tl,22.0,A13B9_hP22_164_aefi_bdi:Pd-Tl +mp-570896,Tl2Pd,-3.4261688367,-0.1244461356,0.0,-0.0029926909,GGA,I4/mcm,AB2_tI12_140_a_h:Pd-Tl,6.0,AB2_tI12_140_a_h:Pd-Tl +mp-1101944,TlPd2,-4.4525033592,-0.2117011036,0.0071796882,0.0071796882,GGA,Pnma,A2B_oP12_62_2c_c:Pd-Tl,12.0,A2B_oP12_62_2c_c:Pd-Tl +mp-731800,TlBr3,-2.6117786544,-0.8563466202000001,0.0,-0.0552972297,GGA,Pnma,A3B_oP16_62_cd_c:Br-Tl,16.0,A3B_oP16_62_cd_c:Br-Tl +mp-571030,TlPd3,-4.690870955,-0.2152988108,0.007516635,-0.0565229831,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Tl,4.0,A3B_tI8_139_ad_b:Pd-Tl +mp-1079938,TlPd3,-4.69838759,-0.2228154458,0.0,-0.0640396181,GGA,I4/mmm,A3B_tI16_139_cde_e:Pd-Tl,8.0,A3B_tI16_139_cde_e:Pd-Tl +mp-569785,TlPd3,-4.6690661775,-0.1934940333,0.0293214125,-0.0347182056,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Tl,4.0,A3B_cP4_221_c_a:Pd-Tl +mp-568949,TlBr,-3.1279313225,-1.1700955842,0.0226316725,-0.2491655726,GGA,Cmcm,AB_oC8_63_c_c:Br-Tl,4.0,AB_oC8_63_c_c:Br-Tl +mp-22875,TlBr,-3.10536847,-1.1475327317,0.045194525,-0.2266027201,GGA,Pm-3m,AB_cP2_221_a_b:Br-Tl,2.0,AB_cP2_221_a_b:Br-Tl +mp-568560,TlBr,-3.150562995,-1.1927272567,0.0,-0.2717972451,GGA,Fm-3m,AB_cF8_225_a_b:Br-Tl,2.0,AB_cF8_225_a_b:Br-Tl +mp-31287,Tl3PdBr5,-3.2701004861,-1.0442168306,0.0011736006,0.0011736006,GGA,Pbca,A5BC3_oP72_61_5c_c_3c:Br-Pd-Tl,72.0,A5BC3_oP72_61_5c_c_3c:Br-Pd-Tl +mp-680345,Tl2Br3,-2.9819902706,-1.1051160139,0.0128144012,0.0128144012,GGA,C2/c,A3B2_mC320_15_24f_abcd2e13f:Br-Tl,160.0,"Invalid WP multiplicities - A3B2_mC320_15_93f_2a2b2c2d4e49f:Br-Tl, expected Tl55Br93 to be Tl2Br3" +mp-973534,FeRe,-10.361760885,0.0955133125,0.1049079504,0.1049079504,GGA,P-6m2,AB_hP2_187_a_d:Fe-Re,2.0,AB_hP2_187_a_d:Fe-Re +mp-865212,Fe3Re,-9.4674678638,-0.00382016,0.000877159,0.000877159,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Re,8.0,A3B_hP8_194_h_c:Fe-Re +mp-639789,Fe2Re3,-10.8659983605,-0.0112735655,0.0,-0.0092361468,GGA,P4_132,A2B3_cP20_213_c_d:Fe-Re,20.0,A2B3_cP20_213_c_d:Fe-Re +mp-1184298,FeRe3,-11.4448537525,0.0060469387,0.0130929172,0.0130929172,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Re,8.0,AB3_hP8_194_c_h:Fe-Re +mp-1227059,Ce(Fe5Re)2,-8.9008513708,-0.0145163227,0.0072123613,0.0072123613,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Ce-Fe-Re,13.0,AB10C2_oI26_71_a_efhk_g:Ce-Fe-Re +mp-1186528,Pm3Pd,-5.000537095,-0.1426599006,0.1288142333,0.1288142333,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Pm,4.0,AB3_tI8_139_a_bd:Pd-Pm +mp-12545,Er3Pd2,-5.575509855,-0.762925845,0.0,-0.018010377,GGA,P4/mbm,A3B2_tP10_127_ah_g:Er-Pd,10.0,A3B2_tP10_127_ah_g:Er-Pd +mp-1104774,Er3Pd4,-5.8851382793,-0.9676120407,0.0,-0.0407200914,GGA,R-3,A3B4_hR42_148_f_abf:Er-Pd,14.0,A3B4_hR42_148_f_abf:Er-Pd +mp-862954,PmPd3,-5.88696934,-0.8144224019,0.0,-0.7668691017,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Pm,4.0,A3B_cP4_221_c_a:Pd-Pm +mp-851,ErPd,-5.804944645,-0.931144335,0.0,-0.0488182092,GGA,Pm-3m,AB_cP2_221_a_b:Er-Pd,2.0,AB_cP2_221_a_b:Er-Pd +mp-1186560,PmErPd2,-5.76213466,-0.8426284719,0.0,-0.0972053588,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Er-Pd-Pm +mp-2825,ErPd3,-5.943102045,-0.916260985,0.0,-0.3518206279,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pd,4.0,AB3_cP4_221_a_c:Er-Pd +mp-1062078,ErPd2,-5.6195275933,-0.6437001167,0.2965246943,0.2965246943,GGA,I4/mmm,AB2_tI6_139_a_d:Er-Pd,3.0,AB2_tI6_139_a_d:Er-Pd +mp-1198033,Tb5Pb4,-4.7666204681,-0.5419072703,0.0,-0.0443043719,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Tb,36.0,A4B5_oP36_62_2cd_c2d:Pb-Tb +mp-2747,TbPd3,-5.927455765,-0.8839528825,0.0,-0.3438664092,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Tb,4.0,A3B_cP4_221_c_a:Pd-Tb +mp-1104088,Tb3Pd4,-5.8719518886,-0.9258625257,0.0,-0.0188395986,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Tb,14.0,A4B3_hR42_148_abf_f:Pd-Tb +mp-1206368,TbPd2Pb,-5.3745134875,-0.69781929,0.0066317756,0.0066317756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Tb,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Tb +mp-1105825,Tb5Pb3,-4.8318417794,-0.5431203156000001,0.0,-0.0858860563,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Tb,16.0,A3B5_hP16_193_g_dg:Pb-Tb +mp-1061979,TbPd2,-5.61011887,-0.61207563,0.291435086,0.291435086,GGA,I4/mmm,A2B_tI6_139_d_a:Pd-Tb,3.0,A2B_tI6_139_d_a:Pd-Tb +mp-1187325,Tb3Pb,-4.6694486625,-0.26551232,0.0965678904,0.0965678904,GGA,I4/mmm,AB3_tI8_139_a_bd:Pb-Tb,4.0,AB3_tI8_139_a_bd:Pb-Tb +mp-31087,Tb2Pd2Pb,-5.508147376,-0.839918798,0.0,-0.0826059779,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Pb-Pd-Tb,10.0,AB2C2_tP10_127_a_g_h:Pb-Pd-Tb +mp-1080451,TbPd,-5.8233749,-0.916250945,0.0,-0.106121235,GGA,Pnma,AB_oP8_62_c_c:Pd-Tb,8.0,AB_oP8_62_c_c:Pd-Tb +mp-999124,TbPd,-5.8226075125,-0.9154835575,0.0007673875,-0.1053538475,GGA,Cmcm,AB_oC8_63_c_c:Pd-Tb,4.0,AB_oC8_63_c_c:Pd-Tb +mp-21156,TbPb3,-4.24040309,-0.2973262625,0.0,-0.0534679909,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Tb,4.0,A3B_cP4_221_c_a:Pb-Tb +mp-1183726,CdSn,-2.379802855,0.0864279525,0.0864279525,0.0864279525,GGA,P-6m2,AB_hP2_187_a_d:Cd-Sn,2.0,AB_hP2_187_a_d:Cd-Sn +mp-1183720,CdSn3,-3.1656487925,0.0722525387,0.0722525387,0.0722525387,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Sn,4.0,AB3_tI8_139_a_bd:Cd-Sn +mp-1183741,CdSn3,-3.172015655,0.0658856762,0.0658856762,0.0658856762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Sn,8.0,AB3_hP8_194_c_h:Cd-Sn +mp-861877,CdSnRh2,-5.254361825,-0.3390924863,0.0,-0.0671115862,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Sn +mp-1436,EuAg2,-5.6208919183,-0.3135206494,0.0,-0.0666054977,GGA,Imma,A2B_oI12_74_h_e:Ag-Eu,6.0,A2B_oI12_74_h_e:Ag-Eu +mp-542568,EuAg5,-4.241674865,-0.1717112289,0.0,-0.0149509042,GGA,P6/mmm,A5B_hP6_191_cg_a:Ag-Eu,6.0,A5B_hP6_191_cg_a:Ag-Eu +mp-1187684,YbEuAg2,-4.7249528375,-0.3595223158,0.0091210356,0.0091210356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-Yb,,A2BC_cF16_225_c_a_b:Ag-Eu-Yb +mp-621667,Eu3Ag2,-7.569914428,-0.2826909467,0.0,-0.024995687,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ag-Eu,10.0,"Invalid WP multiplicities - A2B3_tP10_127_g_2a2h:Ag-Eu, expected Eu3Ag to be Eu3Ag2" +mp-1188013,Yb3Eu,-3.705759865,0.013196795,0.013196795,0.013196795,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Yb,,AB3_tI8_139_a_bd:Eu-Yb +mp-1188080,Yb3Eu,-3.7017008525,0.0172558075,0.0172558075,0.0172558075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Yb,,AB3_hP8_194_c_h:Eu-Yb +mp-1184295,Eu3Ag,-8.4475155375,-0.0466251867,0.130056655,0.130056655,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Eu,4.0,AB3_cP4_221_a_c:Ag-Eu +mp-1215470,YbEu,-5.890818665,0.007486375,0.007486375,0.007486375,GGA,Cmmm,AB_oC4_65_a_c:Eu-Yb,,AB_oC4_65_a_c:Eu-Yb +mp-1215556,YbEu,-5.88319607,0.01510897,0.01510897,0.01510897,GGA,R-3m,AB_hR6_166_a_b:Eu-Yb,,AB_hR6_166_a_b:Eu-Yb +mp-623782,EuAg,-4.3684729375,2.1763059642,2.4984250388,2.4705580494,GGA,P1,AB_aP8_1_4a_4a:Ag-Eu,8.0,AB_aP8_1_4a_4a:Ag-Eu +mp-665747,EuAg,-6.8668979762,-0.3221190746,0.0,-0.0278669894,GGA,Pnma,AB_oP8_62_c_c:Ag-Eu,8.0,AB_oP8_62_c_c:Ag-Eu +mp-1184357,EuAg3,-4.840284165,-0.1516167125,0.0909992267,0.0909992267,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Eu,4.0,A3B_tI8_139_ad_b:Ag-Eu +mp-1184392,EuAg3,-4.8664306188,-0.1777631663,0.0648527729,0.0648527729,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Eu,8.0,A3B_hP8_194_h_c:Ag-Eu +mp-1187831,YbEu3,-8.0686801225,0.0089732975,0.0089732975,0.0089732975,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Yb,,A3B_tI8_139_ad_b:Eu-Yb +mp-1187681,YbEu3,-8.067298385,0.010355035,0.010355035,0.010355035,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Yb,,A3B_cF16_225_ac_b:Eu-Yb +mp-11501,MnNi3,-6.741222075,-0.115615742,0.0,-0.0947475175,GGA,Pm-3m,AB3_cP4_221_a_c:Mn-Ni,4.0,AB3_cP4_221_a_c:Mn-Ni +mp-1095824,Hf2MnNi,-5.3905404,3.323592108,3.6818905747,3.6818905747,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mn-Ni,4.0,A2BC_oI8_71_e_a_b:Hf-Mn-Ni +mp-1221603,MnNi,-7.42431652,0.046759466,0.1238366274,0.1238366274,GGA,Cmmm,AB_oC4_65_a_c:Mn-Ni,2.0,AB_oC4_65_a_c:Mn-Ni +mp-1797,MnNi,-7.51125475,-0.040178764,0.0368983974,0.0368983974,GGA,P4/mmm,AB_tP2_123_a_d:Mn-Ni,2.0,AB_tP2_123_a_d:Mn-Ni +mp-1221588,MnNi,-7.36477369,0.106302296,0.1833794574,0.1833794574,GGA,R-3m,AB_hR6_166_a_b:Mn-Ni,2.0,AB_hR6_166_a_b:Mn-Ni +mp-11500,MnNi,-7.512812435,-0.041736449,0.0353407124,0.0353407124,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Ni,2.0,AB_cP2_221_a_b:Mn-Ni +mp-975932,PrLuIn2,-4.130026885,-0.4287209513,0.016205046,0.016205046,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Pr,4.0,A2BC_cF16_225_c_a_b:In-Lu-Pr +mp-978088,PrLu3,-4.5710393238,0.014900005,0.014900005,0.014900005,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Pr,8.0,A3B_hP8_194_h_c:Lu-Pr +mp-1186721,Pr3Lu,-4.68955954,0.0263574062,0.0263574062,0.0263574062,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Pr,8.0,AB3_hP8_194_c_h:Lu-Pr +mp-1227231,CaBeGe,-3.8529683733,-0.39695484,0.048405266,0.048405266,GGA,P-6m2,ABC_hP3_187_a_d_e:Be-Ca-Ge,3.0,ABC_hP3_187_a_d_e:Be-Ca-Ge +mp-1214249,Ca2(BeGe)3,-2.7901404637,0.8471747763,1.1983467055,1.1983467055,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Be-Ca-Ge,8.0,A3B2C3_tP8_123_ag_g_bg:Be-Ca-Ge +mp-1845,CaBe13,-3.7135454261,-0.0979763457,0.0,-0.0979763457,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Ca,28.0,A13B_cF112_226_bi_a:Be-Ca +mp-31209,Ca(BeGe)2,-4.007454799,-0.261358535,0.027983463,0.027983463,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Be-Ca-Ge,10.0,A2BC2_tP10_129_ac_c_bc:Be-Ca-Ge +mp-9548,GeAs,-4.6841291767,-0.0430560467,0.0,-0.012252992,GGA,C2/m,AB_mC24_12_3i_3i:As-Ge,12.0,AB_mC24_12_3i_3i:As-Ge +mp-7591,GeAs,-4.57868537,0.06238776,0.1054438067,0.0931908147,GGA,I4mm,AB_tI4_107_a_a:As-Ge,2.0,AB_tI4_107_a_a:As-Ge +mp-1184561,Ge3As,-4.28967598,0.3423745125,0.3639025358,0.3639025358,GGA,Fm-3m,AB3_cF16_225_a_bc:As-Ge,4.0,AB3_cF16_225_a_bc:As-Ge +mp-17524,GeAs2,-4.6881589613,-0.0410707396,0.0,-0.0123667085,GGA,Pbam,A2B_oP24_55_2g2h_gh:As-Ge,24.0,A2B_oP24_55_2g2h_gh:As-Ge +mp-569600,Ge3As4,-4.6374365914,0.006214435,0.0484196358,0.0484196358,GGA,P-43m,A4B3_cP7_215_e_c:As-Ge,7.0,A4B3_cP7_215_e_c:As-Ge +mp-973736,GeAs3,-4.2394960075,0.41059976,0.4414028147,0.4414028147,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Ge,4.0,A3B_tI8_139_ad_b:As-Ge +mp-1224319,GeAs3,-4.586309555,0.0637862125,0.0945892672,0.0945892672,GGA,R3m,A3B_hR12_160_3a_a:As-Ge,4.0,A3B_hR12_160_3a_a:As-Ge +mp-2473,Re3As7,-7.0721745555,-0.0774335165,0.0,-0.0774335165,GGA,Im-3m,A7B3_cI40_229_df_e:As-Re,20.0,A7B3_cI40_229_df_e:As-Re +mp-1186907,ReAs3,-6.0155604325,0.5899101675,0.6544380979000001,0.6544380979000001,GGA,Fm-3m,A3B_cF16_225_ac_b:As-Re,4.0,A3B_cF16_225_ac_b:As-Re +mp-1219536,ReGeAs,-7.278002525,-0.0357780433,0.0061841645,0.0061841645,GGA,C2/m,ABC_mC12_12_i_i_i:As-Ge-Re,6.0,ABC_mC12_12_i_i_i:As-Ge-Re +mp-1186752,PrIr3,-7.93186371,-0.1078116363,0.4017867337,0.4017867337,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Pr,8.0,A3B_hP8_194_h_c:Ir-Pr +mp-1206065,PrIn2Ir,-5.3044288088,-0.52375196,0.0,-0.0085354657,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ir-Pr,8.0,A2BC_oC16_63_f_c_c:In-Ir-Pr +mp-946,PrIr2,-8.1653891983,-0.6794644933,0.0,-0.3680125182,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Pr,6.0,A2B_cF24_227_c_b:Ir-Pr +mp-22812,In2Ir,-4.9424077892,-0.1618072425,0.0,-0.0207601969,GGA,Fddd,A2B_oF48_70_ef_e:In-Ir,12.0,"Invalid WP multiplicities - A2B_oF48_70_3e3f_e:In-Ir, expected In6Ir to be In2Ir" +mp-1209721,Pr4Ir,-5.463092045,0.129319395,0.4700648945,0.4700648945,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Pr,10.0,AB4_cF40_227_a_e:Ir-Pr +mp-1104160,Pr5Ir2,-6.4238271657,-0.483627575,0.0,-0.0051343487,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Pr,14.0,A2B5_mC28_15_f_e2f:Ir-Pr +mp-1189759,Pr7Ir3,-6.4976820495,-0.499517767,0.0001649885,0.0001649885,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ir-Pr,20.0,A3B7_hP20_186_c_b2c:Ir-Pr +mp-636498,In3Ir,-4.4320492688,-0.1586779263,0.0,-0.0373224944,GGA,Pnma,A3B_oP16_62_cd_c:In-Ir,16.0,"Invalid WP multiplicities - A3B_oP16_62_4c5d_c:In-Ir, expected In14Ir to be In3Ir" +mp-630976,In3Ir,-4.4305323794,-0.1571610369,0.0015168894,-0.035805605,GGA,P4_2/mnm,A3B_tP16_136_cj_f:In-Ir,16.0,"Invalid WP multiplicities - A3B_tP16_136_4c4j_f:In-Ir, expected In12Ir to be In3Ir" +mp-1205021,Pr5Ir3,-6.8864513678,-0.5839724534,0.0,-0.0476474015,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Pr,32.0,A3B5_tP32_130_cf_bg:Ir-Pr +mp-1106395,Pr3Ir,-6.2212197356,-0.4259318744,0.0,-0.0027577462,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Pr,16.0,AB3_oP16_62_c_cd:Ir-Pr +mp-1078092,PrIn5Ir,-4.2998269514,-0.3887185821,0.0,-0.0462545007,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Ir-Pr,7.0,A5BC_tP7_123_ci_b_a:In-Ir-Pr +mp-1104068,Lu(Mo3Se4)2,-7.4328144753,-0.9286716086,0.0687277353,0.0687277353,GGA,R-3,AB6C8_hR45_148_a_f_cf:Lu-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Lu-Mo-Se +mp-4229,Nd(AgGe)2,-4.35953804,-0.4236750102,0.0,-0.0178315409,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Ge-Nd,5.0,A2B2C_tI10_139_d_e_a:Ag-Ge-Nd +mp-1229108,Ag3Ge,-3.1963982125,0.0837757537,0.0837757537,0.0837757537,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Ge,4.0,A3B_hP4_187_ah_b:Ag-Ge +mp-985282,Ag3Ge,-3.18044306,0.0997309063,0.0997309063,0.0997309063,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Ge,4.0,A3B_cP4_221_c_a:Ag-Ge +mp-985283,Ag3Ge,-3.17997564,0.1001983263,0.1001983263,0.1001983263,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Ge,4.0,A3B_cF16_225_ac_b:Ag-Ge +mp-1183245,AgGe3,-3.89012631,0.2852835821,0.2852835821,0.2852835821,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Ge,4.0,AB3_tI8_139_a_bd:Ag-Ge +mp-12565,MnAu4,-4.530861306,-0.0793526476,0.0,-0.01295719,GGA,I4/m,A4B_tI10_87_h_a:Au-Mn,5.0,A4B_tI10_87_h_a:Au-Mn +mp-1221711,MnAu4,-4.417977168,0.0335314904,0.112884138,0.099926948,GGA,R-3m,A4B_hR15_166_2c_a:Au-Mn,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Mn, expected MnAu6 to be MnAu4" +mp-1393,Sn4Au,-3.937203868,-0.074769984,0.0049967018,0.0049967018,GGA,Ccce,AB4_oC20_68_a_i:Au-Sn,10.0,AB4_oC20_68_a_i:Au-Sn +mp-1221687,MnAu3,-4.714622295,0.031293028,0.1223855937,0.1223855937,GGA,R-3m,A3B_hR12_166_ac_b:Au-Mn,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Au-Mn, expected MnAu5 to be MnAu3" +mp-1186010,MnAu3,-4.80115311,-0.055237787,0.0358547788,0.0358547788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Mn,8.0,A3B_hP8_194_h_c:Au-Mn +mp-1206376,MnAu3,-4.7508728625,-0.0049575395,0.0861350263,0.0861350263,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Mn,4.0,A3B_cP4_221_c_a:Au-Mn +mp-30410,Mn2Au5,-5.03680081,-0.0805950123,0.0188832093,0.0188832093,GGA,C2/m,A5B2_mC14_12_a2i_i:Au-Mn,7.0,"Invalid WP multiplicities - A5B2_mC14_12_a3i_i:Au-Mn, expected Mn2Au7 to be Mn2Au5" +mp-30418,SnAu5,-3.4431553517,-0.0466583758,0.01477334,0.01477334,GGA,R32,A5B_hR18_155_cd_b:Au-Sn,6.0,"Invalid WP multiplicities - A5B_hR18_155_2cd_b:Au-Sn, expected SnAu7 to be SnAu5" +mp-1219114,Sn9Au4,-3.7364619046,0.0467438412,0.1694618192,0.1694618192,GGA,Cm,A4B9_mC52_8_4a2b_4a7b:Au-Sn,26.0,"Invalid WP multiplicities - A4B9_mC52_8_4a2b_4a10b:Au-Sn, expected Sn3Au to be Sn9Au4" +mp-1213259,Mn8Sn5,-7.090214735,0.0900915428,0.0900915428,0.0900915428,GGA,Pnma,A8B5_oP52_62_a3c2d_5c:Mn-Sn,52.0,A8B5_oP52_62_a3c2d_5c:Mn-Sn +mp-22514,Mn2Sn,-7.2832814933,0.161252653,0.161252653,0.161252653,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Mn-Sn,6.0,A2B_hP6_194_ac_d:Mn-Sn +mp-12675,MnAu,-6.229282545,-0.011333899,0.071660423,0.071660423,GGA,P4/mmm,AB_tP2_123_a_d:Au-Mn,2.0,AB_tP2_123_a_d:Au-Mn +mp-12674,MnAu,-6.2280170550000005,-0.010068409,0.072925913,0.072925913,GGA,Pm-3m,AB_cP2_221_a_b:Au-Mn,2.0,AB_cP2_221_a_b:Au-Mn +mp-600428,Mn3Sn2,-7.0289159655,0.0721219517,0.0721219517,0.0721219517,GGA,Pnma,A3B2_oP20_62_cd_2c:Mn-Sn,20.0,"Invalid WP multiplicities - A3B2_oP20_62_2c3d_4c:Mn-Sn, expected Mn2Sn to be Mn3Sn2" +mp-11252,MnAu2,-5.3472521933,-0.110659096,0.0,-0.0354370845,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Mn,3.0,A2B_tI6_139_e_a:Au-Mn +mp-20086,MnSn2,-5.7173834517,0.009669549,0.009669549,0.009669549,GGA,I4/mcm,AB2_tI12_140_a_h:Mn-Sn,6.0,AB2_tI12_140_a_h:Mn-Sn +mp-11295,DyCd3,-2.1182916338,-0.2744276038,0.0,-0.0130754581,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Dy,8.0,A3B_oC16_63_cg_c:Cd-Dy +mp-1102078,DyNi3,-5.9016702708,-0.4148710508,0.0,-0.0041656908,GGA,R-3m,AB3_hR36_166_ac_bch:Dy-Ni,12.0,AB3_hR36_166_ac_bch:Dy-Ni +mp-1212922,Dy4CdNi,-4.4837874512,-0.2954251512,0.0,-0.0369733587,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Dy-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Dy-Ni +mp-1197654,Dy2Ni17,-5.8575812105,-0.20095504,0.0071565516,0.0071565516,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Dy-Ni,38.0,A2B17_hP38_194_bc_fgjk:Dy-Ni +mp-770,DyCd,-3.082951975,-0.318113675,0.0,-0.08552632,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Dy,2.0,AB_cP2_221_a_b:Cd-Dy +mp-865205,Dy2Ni7,-5.917220795,-0.3978285239,0.0,-0.01141115,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Dy-Ni,18.0,"Invalid WP multiplicities - A2B7_hR54_166_3c_a4cd2h:Dy-Ni, expected DyNi4 to be Dy2Ni7" +mp-1197874,Dy2Ni7,-5.9106558947,-0.3912636236,0.0065649003,-0.0048462497,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:Dy-Ni,36.0,A2B7_hP36_194_2f_aefhk:Dy-Ni +mp-1071811,DyCdNi4,-5.130239765,-0.355202545,0.0,-0.0464516097,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Dy-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Dy-Ni +mp-1227006,DyCd6,-1.6208909467,-0.1717301752,0.0,-0.0044547939,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Dy,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Dy, expected DyCd8 to be DyCd6" +mp-1183624,Cd3Ni,-2.05237024,0.08483125,0.0910756983,0.0910756983,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Ni,4.0,A3B_cP4_221_c_a:Cd-Ni +mp-11294,DyCd2,-2.4609719267,-0.3101164733,0.0,-0.0211268458,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Dy,3.0,A2B_hP3_191_c_b:Cd-Dy +mp-421,DyNi2,-5.838355935,-0.4493358683,0.0,-0.0213493378,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Ni,6.0,AB2_cF24_227_a_d:Dy-Ni +mp-2738,DyNi,-5.64767925,-0.45421749,0.0,-0.0570956881,GGA,Pnma,AB_oP8_62_c_c:Dy-Ni,8.0,AB_oP8_62_c_c:Dy-Ni +mp-985556,CdNi,-3.3640021167,-0.0124888967,0.0,-0.0124888967,GGA,Fd-3m,AB_cF96_227_f_ce:Cd-Ni,24.0,AB_cF96_227_f_ce:Cd-Ni +mp-11310,CdNi,-2.9679509475,0.3835622725,0.3960511692,0.3835622725,GGA,Fd-3m,AB_cF96_227_f_ce:Cd-Ni,24.0,AB_cF96_227_f_ce:Cd-Ni +mp-1213233,Dy4Ni,-4.601639726,0.239817082,0.422713763,0.422713763,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Ni,10.0,A4B_cF40_227_e_a:Dy-Ni +mp-1205189,Dy11Cd45,-1.87651605,-0.2300036493,0.0,-0.0069247598,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Dy,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Dy +mp-1179,DyNi5,-5.9140883933,-0.32951002,0.0,-0.025196401,GGA,P6/mmm,AB5_hP6_191_a_cg:Dy-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Dy-Ni, expected DyNi8 to be DyNi5" +mp-7281,Dy3Ni2,-5.441920138,-0.365793362,0.0,-0.00241937,GGA,C2/m,A3B2_mC20_12_3i_2i:Dy-Ni,10.0,A3B2_mC20_12_3i_2i:Dy-Ni +mp-1229280,Cd5Ni,-1.6860729865,0.0463579269,0.0505208924,0.0505208924,GGA,Cmm2,A5B_oC96_35_2a4d5e5f_2bdf:Cd-Ni,48.0,"Invalid WP multiplicities - A5B_oC96_35_2a6d7e10f_2bd2f:Cd-Ni, expected Cd17Ni3 to be Cd5Ni" +mp-1993,Tm5Mg24,-2.1262029186,-0.0301374594,0.0007499469,0.0007499469,GGA,I-43m,A24B5_cI58_217_2g_ac:Mg-Tm,29.0,"Invalid WP multiplicities - A24B5_cI58_217_3g_ac:Mg-Tm, expected Tm5Mg36 to be Tm5Mg24" +mp-981212,TmMg2,-2.60850276,-0.0497042522,0.0,-0.0003999233,GGA,P6/mmm,A2B_hP3_191_c_b:Mg-Tm,3.0,A2B_hP3_191_c_b:Mg-Tm +mp-2214,TmMg2,-2.6059432542,-0.0471447464,0.0025595058,0.0021595825,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mg-Tm,12.0,"Invalid WP multiplicities - A2B_hP12_194_a2h_f:Mg-Tm, expected Tm2Mg7 to be TmMg2" +mp-1187676,TmMg2,-2.6071076967,-0.0483091889,0.0013950633,0.00099514,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Tm,6.0,A2B_cF24_227_c_b:Mg-Tm +mp-1186654,PmTmMg2,-3.19062231,-0.0838878485,0.0017897371,0.0017897371,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pm-Tm,4.0,A2BC_cF16_225_c_a_b:Mg-Pm-Tm +mp-1505,TmMg,-3.096397245,-0.0583395083,0.0,-0.013255945,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Tm,2.0,AB_cP2_221_a_b:Mg-Tm +mp-1187654,TmMg5,-2.086994805,-0.0074555261,0.0224023,0.0224023,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Tm,6.0,A5B_oC12_38_2a3b_a:Mg-Tm +mp-979081,TmMg5,-2.0452875183,0.0342517606,0.0641095867,0.0641095867,GGA,P-6m2,A5B_hP6_187_agh_d:Mg-Tm,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Mg-Tm, expected TmMg9 to be TmMg5" +mp-865323,Tm2Mg,-3.55777984,-0.0404628744,0.0,-0.0015698689,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Tm,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Tm, expected Tm4Mg to be Tm2Mg" +mp-1186653,PmTm,-4.583092545,0.0300963279,0.0300963279,0.0300963279,GGA,P-6m2,AB_hP2_187_a_d:Pm-Tm,2.0,AB_hP2_187_a_d:Pm-Tm +mp-1216590,Tm3Mg,-3.7722255625,-0.0152789825,0.0150681733,0.0150681733,GGA,P4/mmm,AB3_tP4_123_a_bh:Mg-Tm,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2h:Mg-Tm, expected Tm5Mg to be Tm3Mg" +mp-980660,Tm3Mg,-3.7472258325,0.0097207475,0.0400679033,0.0400679033,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Tm,8.0,AB3_hP8_194_c_h:Mg-Tm +mp-1187658,Tm5Mg,-3.9677529917,0.0288232028,0.04905464,0.04905464,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Tm,6.0,AB5_oC12_38_a_2a3b:Mg-Tm +mp-1187640,Tm5Mg,-3.9756623217,0.0209138728,0.04114531,0.04114531,GGA,R32,AB5_hR18_155_a_ce:Mg-Tm,6.0,AB5_hR18_155_a_ce:Mg-Tm +mp-1187597,TmMg3,-2.3426292975,-0.0234604042,0.021326335,0.0161110446,GGA,P4/mmm,A3B_tP4_123_ae_c:Mg-Tm,4.0,A3B_tP4_123_ae_c:Mg-Tm +mp-971920,TmMg3,-2.3558193288,-0.0366504354,0.0081363038,0.0029210134,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Tm,8.0,A3B_hP8_194_h_c:Mg-Tm +mp-1187579,TmMg3,-2.356548375,-0.0373794817,0.0074072575,0.0021919671,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Tm,4.0,A3B_cP4_221_c_a:Mg-Tm +mp-1187610,TmMg3,-2.3639556325,-0.0447867392,0.0,-0.0052152904,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Tm,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Tm, expected TmMg5 to be TmMg3" +mp-1186536,Pm3Tm,-4.663368575,0.0184970227,0.0184970227,0.0184970227,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Tm,4.0,A3B_tI8_139_ad_b:Pm-Tm +mp-1186542,Pm3Tm,-4.6590651338,0.022800464,0.022800464,0.022800464,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Tm,8.0,A3B_hP8_194_h_c:Pm-Tm +mp-982881,PmTm3,-4.512461655,0.0320504931,0.0320504931,0.0320504931,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Tm,4.0,AB3_tI8_139_a_bd:Pm-Tm +mp-1186668,PmTm3,-4.5329386962000005,0.0115734519,0.0115734519,0.0115734519,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Tm,8.0,AB3_hP8_194_c_h:Pm-Tm +mp-1186656,PmTm3,-4.515973165,0.0285389831,0.0285389831,0.0285389831,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Tm,4.0,AB3_cP4_221_a_c:Pm-Tm +mp-564,TePd,-4.73793652,-0.5763426683,0.0,-0.0915035083,GGA,P6_3/mmc,AB_hP4_194_a_c:Pd-Te,4.0,AB_hP4_194_a_c:Pd-Te +mp-12543,Dy3Pd2,-5.569058006,-0.733033178,0.0,-0.016610514,GGA,P4/mbm,A3B2_tP10_127_ah_g:Dy-Pd,10.0,A3B2_tP10_127_ah_g:Dy-Pd +mp-2226,DyPd,-5.788862655,-0.89552833,0.0,-0.0418840862,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Pd,2.0,AB_cP2_221_a_b:Dy-Pd +mp-1225322,Dy4Te7,-5.17985362,-1.504372837,0.0553637782,0.0553637782,GGA,P-4m2,A4B7_tP11_115_2g_abc2g:Dy-Te,11.0,"Invalid WP multiplicities - A4B7_tP11_115_3g_abc3g:Dy-Te, expected Dy2Te3 to be Dy4Te7" +mp-1208304,Te3Pd5,-4.2939190769,0.1222467644,0.5576208176,0.5576208176,GGA,Fd-3m,A5B3_cF64_227_ae_bc:Pd-Te,16.0,A5B3_cF64_227_ae_bc:Pd-Te +mp-29907,Te4Pd9,-4.8768091385000005,-0.3235660721,0.0359018038,0.0359018038,GGA,P2_1/c,A9B4_mP52_14_9e_4e:Pd-Te,52.0,A9B4_mP52_14_9e_4e:Pd-Te +mp-1217326,TePd3,-4.8491547425,-0.1784169117,0.1159885265,0.1159885265,GGA,P4/mmm,A3B_tP4_123_ah_b:Pd-Te,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Pd-Te, expected TePd5 to be TePd3" +mp-979273,TePd3,-4.8971715075,-0.2264336767,0.0679717615,0.0679717615,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Te,4.0,A3B_tI8_139_ad_b:Pd-Te +mp-2530518,TePd3,-4.90615771,-0.2354198792,0.058985559,0.058985559,GGA,Fm-3m,A3B_cF16_225_ac_b:Pd-Te,4.0,A3B_cF16_225_ac_b:Pd-Te +mp-1190964,TePd4,-4.7851073924000005,-0.0125407657,0.2254772264,0.2254772264,GGA,F-43m,A4B_cF100_216_2efg_ae:Pd-Te,25.0,A4B_cF100_216_2efg_ae:Pd-Te +mp-2159,DyTe,-5.36098766,-1.4859412933,0.0,-0.0673329408,GGA,Fm-3m,AB_cF8_225_a_b:Dy-Te,2.0,AB_cF8_225_a_b:Dy-Te +mp-782,Te2Pd,-4.4377381967,-0.6155736644,0.0,-0.2313452189,GGA,P-3m1,AB2_hP3_164_a_d:Pd-Te,3.0,AB2_hP3_164_a_d:Pd-Te +mp-638586,Te3Pd13,-5.0219449562,-0.2239211306,0.0,-0.00779263,GGA,Fd-3m,A13B3_cF128_227_adef_bc:Pd-Te,32.0,"Invalid WP multiplicities - A13B3_cF128_227_2a4d6e8f_2bc:Pd-Te, expected Te2Pd41 to be Te3Pd13" +mp-1217443,Te2Pd7,-4.8716879859,-0.1443786019,0.1187004774,0.1187004774,GGA,R-3m,A7B2_hR81_166_bc3h_acd:Pd-Te,27.0,"Invalid WP multiplicities - A7B2_hR81_166_b2c11h_acd:Pd-Te, expected Te6Pd71 to be Te2Pd7" +mp-505682,Dy2Te,-5.1325717111,-1.0136118533,0.0,-0.0229843244,GGA,Pnma,A2B_oP36_62_6c_3c:Dy-Te,36.0,A2B_oP36_62_6c_3c:Dy-Te +mp-1018679,DyTe2,-5.0581339517,-1.4270010761,0.047844175,0.047844175,GGA,P4/nmm,AB2_tP6_129_c_ac:Dy-Te,6.0,AB2_tP6_129_c_ac:Dy-Te +mp-30067,Te3Pd10,-4.8296634931,-0.1197607408,0.1529572182,0.1529572182,GGA,Fd-3m,A10B3_cF104_227_ef_ad:Pd-Te,26.0,A10B3_cF104_227_ef_ad:Pd-Te +mp-1025482,DyTe3,-4.3835507113,-0.8743745813,0.3670194187,0.2460074442,GGA,Cmcm,AB3_oC16_63_c_3c:Dy-Te,8.0,AB3_oC16_63_c_3c:Dy-Te +mp-1086673,DyTe3,-4.75057013,-1.241394,0.0,-0.1210119746,GGA,Cmcm,AB3_oC16_63_c_3c:Dy-Te,8.0,AB3_oC16_63_c_3c:Dy-Te +mp-797,DyPd3,-5.93207348,-0.8954654125,0.0,-0.3472516596,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pd,4.0,AB3_cP4_221_a_c:Dy-Pd +mp-613,Te2Pd3,-4.707508137,-0.3422566937,0.1213110826,0.1213110826,GGA,Cmcm,A3B2_oC20_63_cf_ac:Pd-Te,10.0,A3B2_oC20_63_cf_ac:Pd-Te +mp-1188427,Dy2Te3,-5.390304524,-1.661606252,0.0,-0.1621484933,GGA,Fddd,A2B3_oF80_70_2e_fh:Dy-Te,20.0,A2B3_oF80_70_2e_fh:Dy-Te +mp-1207258,Dy2Te3,-2.523746146,1.204952126,2.866558378,2.7044098847,GGA,P4/mmm,A2B3_tP5_123_g_ag:Dy-Te,5.0,A2B3_tP5_123_g_ag:Dy-Te +mp-29639,Te7Pd20,-4.9478810778,-0.2960004314,0.0088471264,0.0088471264,GGA,R-3,A20B7_hR81_148_c3f_af:Pd-Te,27.0,A20B7_hR81_148_c3f_af:Pd-Te +mp-1063239,DyPd2,-5.6115447,-0.6226945467,0.293458009,0.293458009,GGA,I4/mmm,AB2_tI6_139_a_d:Dy-Pd,3.0,AB2_tI6_139_a_d:Dy-Pd +mp-1193776,Te5Pd21,-4.7930589373,-0.0048263421,0.2245166584,0.2245166584,GGA,F-43m,A21B5_cF104_216_a2efg_ce:Pd-Te,26.0,A21B5_cF104_216_a2efg_ce:Pd-Te +mp-1103932,Dy2Te5,-4.8418799071,-1.2804366005,0.0610079357,0.0610079357,GGA,Cmcm,A2B5_oC28_63_2c_5c:Dy-Te,14.0,A2B5_oC28_63_2c_5c:Dy-Te +mp-1212830,Dy7(TePd)2,-5.2825146327,-0.8376161521000001,0.0484599397,0.0484599397,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Dy-Pd-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Dy-Pd-Te +mp-1104399,Dy3Pd4,-5.8740646850000005,-0.939795005,0.0,-0.0442846514,GGA,R-3,A3B4_hR42_148_f_abf:Dy-Pd,14.0,A3B4_hR42_148_f_abf:Dy-Pd +mp-1009018,InAg,-2.74344424,0.0486756267,0.0727014885,0.0727014885,GGA,Pm-3m,AB_cP2_221_a_b:Ag-In,2.0,AB_cP2_221_a_b:Ag-In +mp-1223839,InAg3,-2.7370831925,0.0752547425,0.108633765,0.102283837,GGA,Cmmm,A3B_oC8_65_bk_c:Ag-In,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Ag-In, expected InAg5 to be InAg3" +mp-1223787,InAg3,-2.7661641475,0.0461737875,0.07955281,0.073202882,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-In,4.0,A3B_hP4_187_ah_b:Ag-In +mp-30343,InAg3,-2.8457169575,-0.0333790225,0.0,-0.006349928,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-In,4.0,A3B_cP4_221_c_a:Ag-In +mp-1223819,InAg4,-2.743128038,0.0732535107,0.0999567287,0.0999567287,GGA,R-3m,A4B_hR15_166_2c_a:Ag-In,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ag-In, expected InAg6 to be InAg4" +mp-11237,ScAg,-4.86952577,-0.2870132158,0.0,-0.0561120537,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Sc,2.0,AB_cP2_221_a_b:Ag-Sc +mp-1018128,ScAg2,-4.30706192,-0.3078682161,0.0,-0.0681897311,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Sc,3.0,A2B_tI6_139_e_a:Ag-Sc +mp-1186973,ScAg3,-3.890137215,-0.1826029363,0.0589793325,0.0589793325,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Sc,4.0,A3B_cF16_225_ac_b:Ag-Sc +mp-20539,ScIn3,-3.9452157175,-0.2983356437,0.0,-0.0323940925,GGA,Pm-3m,A3B_cP4_221_c_a:In-Sc,4.0,A3B_cP4_221_c_a:In-Sc +mp-30347,ScInAg2,-4.0005596375,-0.3132434271,0.0,-0.0527433667,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Sc,4.0,A2BC_cF16_225_c_a_b:Ag-In-Sc +mp-862337,Sc2InAg,-4.9388030575,-0.3765085717,0.0,-0.0124545975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-In-Sc +mp-1184493,In3Ag,-2.7109236825,0.0609781158,0.0729910467,0.0729910467,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-In,4.0,AB3_tI8_139_a_bd:Ag-In +mp-1184517,In3Ag,-2.6991951038,0.0727066946,0.0847196255,0.0847196255,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-In,8.0,AB3_hP8_194_c_h:Ag-In +mp-21975,In4Ag9,-2.8409388048,-0.0332665779,0.0,-0.0024551725,GGA,P-43m,A9B4_cP52_215_3efgi_ei:Ag-In,52.0,"Invalid WP multiplicities - A9B4_cP52_215_3e2fgi_ei:Ag-In, expected In8Ag21 to be In4Ag9" +mp-1206268,ScIn2,-4.29986759,-0.354588735,0.0,-0.01140929,GGA,Cmmm,A2B_oC12_65_acg_h:In-Sc,6.0,A2B_oC12_65_acg_h:In-Sc +mp-1224231,In9Ag17,-2.8305956527,-0.0260338978,0.0053845368,0.0053845368,GGA,Cm,A17B9_mC104_8_12a11b_4a7b:Ag-In,52.0,"Invalid WP multiplicities - A17B9_mC104_8_12a15b_4a11b:Ag-In, expected In13Ag21 to be In9Ag17" +mp-19713,Sc3In,-5.7327103575,-0.2954375963,0.0,-0.0146643337,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Sc,8.0,AB3_hP8_194_c_h:In-Sc +mp-570428,Sc3In,-5.72442635,-0.2871535887,0.0082840075,-0.0063803262,GGA,Pm-3m,AB3_cP4_221_a_c:In-Sc,4.0,AB3_cP4_221_a_c:In-Sc +mp-760385,In2Ag,-2.6987154883,0.0799256661,0.0959429073,0.0959429073,GGA,I4/mcm,AB2_tI12_140_c_h:Ag-In,6.0,AB2_tI12_140_c_h:Ag-In +mp-19974,In2Ag,-2.7922060433,-0.0135648889,0.0024523523,0.0024523523,GGA,I4/mcm,AB2_tI12_140_a_h:Ag-In,6.0,AB2_tI12_140_a_h:Ag-In +mp-31348,Sc2In,-5.51323833,-0.37436435,0.0,-0.0331169367,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Sc,6.0,AB2_hP6_194_c_ad:In-Sc +mp-30354,ScAg4,-3.734349324,-0.2018107003,0.0,-0.0170897707,GGA,I4/m,A4B_tI10_87_h_a:Ag-Sc,5.0,A4B_tI10_87_h_a:Ag-Sc +mp-1207100,ScIn,-4.974943465,-0.4328670475,0.0,-0.068390505,GGA,P4/mmm,AB_tP2_123_a_d:In-Sc,2.0,AB_tP2_123_a_d:In-Sc +mp-1079776,Hf2Co7,-7.9964464689,-0.2550461772,0.0080219561,0.0080219561,GGA,C2/m,A7B2_mC18_12_aej_i:Co-Hf,9.0,A7B2_mC18_12_afj_i:Co-Hf +mp-1205422,Hf2Co7,-7.9964203872,-0.2550200956,0.0080480377,0.0080480377,GGA,C2/m,A7B2_mC36_12_i3j_2i:Co-Hf,18.0,A7B2_mC36_12_i3j_2i:Co-Hf +mp-1105489,HfCo7,-7.40484832,0.0595783794,0.2096712695,0.2096712695,GGA,P4/mmm,A7B_tP8_123_afk_c:Co-Hf,8.0,A7B_tP8_123_afk_c:Co-Hf +mp-1184729,Hf3Co,-9.1251721975,0.1197990237,0.3387988916,0.3387988916,GGA,I4/mmm,AB3_tI8_139_a_bd:Co-Hf,4.0,AB3_tI8_139_a_bd:Co-Hf +mp-1184654,Hf3Co,-9.1137942325,0.1311769887,0.3501768566,0.3501768566,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Hf,4.0,AB3_cP4_221_a_c:Co-Hf +mp-2337,HfCo2,-8.4271389583,-0.3691974183,0.0,-0.0548973898,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Hf,6.0,A2B_cF24_227_c_b:Co-Hf +mp-1184721,HfCo3,-8.0280931087,-0.207557505,0.0820429495,0.0820429495,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Hf,8.0,A3B_hP8_194_h_c:Co-Hf +mp-1208139,Tm4Co,-4.70110104,0.3012308577,0.4066630424,0.4066630424,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Tm,10.0,AB4_cF40_227_a_e:Co-Tm +mp-1189465,Tm2Co7,-6.710429885,-0.1871081726,0.0018861816,0.0018861816,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Tm,18.0,A7B2_hR54_166_a2cdh_2c:Co-Tm +mp-1217007,Tm4Co3,-5.8299682643,-0.2259261102,0.0,-0.056268087,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Tm,21.0,A3B4_hP21_147_adg_2g:Co-Tm +mp-1102252,TmCo3,-6.6108147692,-0.1606175671,0.0471063187,0.0471063187,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Tm,12.0,A3B_hR36_166_ach_bc:Co-Tm +mp-1212302,Hf4Co,-8.873497353,0.51391743,0.6891173243000001,0.6891173243000001,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Hf,10.0,AB4_cF40_227_a_e:Co-Hf +mp-1196360,Tm2Co17,-6.9413475561,-0.1101331686,0.0,-0.0215029816,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Tm,38.0,A17B2_hP38_194_fgjk_bc:Co-Tm +mp-632,TmCo2,-6.4947361517,-0.2639124806,0.0,-0.064453146,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Tm,6.0,A2B_cF24_227_c_b:Co-Tm +mp-1190841,Hf2Co,-9.2995651088,-0.2919998237,0.0,-0.0245803471,GGA,Fd-3m,AB2_cF96_227_e_cf:Co-Hf,24.0,AB2_cF96_227_e_cf:Co-Hf +mp-982739,TmHfCo2,-7.461277215,-0.2988622042,0.020363414,0.020363414,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Tm,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Tm +mp-1192795,Hf6Co23,-7.946169041,-0.2484296112,0.0,-0.0109728255,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Co-Hf,29.0,A23B6_cF116_225_ad2f_e:Co-Hf +mp-1064981,HfCo,-8.933882627500001,-0.401129215,0.0,-0.070530594,GGA,Cmcm,AB_oC8_63_c_c:Co-Hf,4.0,AB_oC8_63_c_c:Co-Hf +mp-2027,HfCo,-8.931260535,-0.3985071225,0.0026220925,-0.0679085015,GGA,Pm-3m,AB_cP2_221_a_b:Co-Hf,2.0,AB_cP2_221_a_b:Co-Hf +mp-2026,PrTl3,-3.3032798075,-0.3360710088,0.0,-0.0819324794,GGA,Pm-3m,AB3_cP4_221_a_c:Pr-Tl,4.0,AB3_cP4_221_a_c:Pr-Tl +mp-693,Pr3Tl,-4.3902333,-0.2138931971,0.0,-0.0006730017,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Tl,4.0,A3B_cP4_221_c_a:Pr-Tl +mp-12599,PrTl,-3.96569172,-0.3939172692,0.0,-0.0433982256,GGA,Pm-3m,AB_cP2_221_a_b:Pr-Tl,2.0,AB_cP2_221_a_b:Pr-Tl +mp-1189377,Pr3Tl5,-3.6506994187,-0.381207794,0.0,-0.016213655,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Pr-Tl,16.0,A3B5_oC32_63_ce_cfg:Pr-Tl +mp-570469,Pr5Tl3,-4.19388757,-0.3198302931,0.0,-0.01592506,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Pr-Tl,16.0,"Invalid WP multiplicities - A5B3_tI32_140_b2k_2a2h:Pr-Tl, expected Pr3Tl2 to be Pr5Tl3" +mp-1185406,LiPr3,-3.9211904275,0.1417196054,0.1417196054,0.1417196054,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Pr,4.0,AB3_cP4_221_a_c:Li-Pr +mp-12600,Pr2Tl,-4.2421108367,-0.2672926178,0.01722531,0.01722531,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Pr-Tl,6.0,"Invalid WP multiplicities - A2B_hP6_194_2ac_d:Pr-Tl, expected Pr3Tl to be Pr2Tl" +mp-865715,Li2PrTl,-3.0048401125,-0.2644914538,0.0,-0.0402308892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pr-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Pr-Tl +mp-865709,LiPrTl2,-3.1939926525,-0.3402139237,0.0,-0.0090957662,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Pr-Tl +mp-976321,Li3Pr,-2.4370964575,0.1898221312,0.1898221312,0.1898221312,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pr,4.0,A3B_cF16_225_ac_b:Li-Pr +mp-1188043,Zr3Pt,-8.3351202063,-0.4065614038,0.1349099337,0.1349099337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pt-Zr,8.0,AB3_hP8_194_c_h:Pt-Zr +mp-971951,Zr3Pt,-8.345657455,-0.4170986525,0.124372685,0.124372685,GGA,Pm-3m,AB3_cP4_221_a_c:Pt-Zr,4.0,AB3_cP4_221_a_c:Pt-Zr +mp-20695,Zr3In,-7.3494154075,-0.2507190025,0.0,-0.0934848725,GGA,Pm-3m,AB3_cP4_221_a_c:In-Zr,4.0,AB3_cP4_221_a_c:In-Zr +mp-1069815,In3Pt2,-4.543314856,-0.46385129,0.004846894,0.004846894,GGA,P-3m1,A3B2_hP5_164_ad_d:In-Pt,5.0,A3B2_hP5_164_ad_d:In-Pt +mp-1184857,In3Pt,-3.6003638675,-0.01881774,0.3399635858,0.3399635858,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Pt,4.0,A3B_tI8_139_ad_b:In-Pt +mp-1184825,In3Pt,-3.60654525,-0.0249991225,0.3337822033,0.3337822033,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pt,4.0,A3B_cP4_221_c_a:In-Pt +mp-1188129,ZrPt3,-7.7120322587,-1.0217571113,0.0,-0.265605794,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pt-Zr,16.0,A3B_hP16_194_gh_ac:Pt-Zr +mp-30858,ZrPt3,-7.6970536875,-1.00677854,0.0149785712,-0.2506272227,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Zr,4.0,A3B_cP4_221_c_a:Pt-Zr +mp-20800,ZrIn2,-4.950946875,-0.2672575117,0.0,-0.0215453317,GGA,I4_1/amd,A2B_tI24_141_2e_e:In-Zr,12.0,A2B_tI24_141_2e_e:In-Zr +mp-1205768,ZrPt8,-6.8285753544,-0.4822678889,0.0,-0.0281536172,GGA,I4/mmm,A8B_tI18_139_hi_a:Pt-Zr,9.0,A8B_tI18_139_hi_a:Pt-Zr +mp-570578,ZrIn3,-4.412022095,-0.21133414,0.0,-0.0108910062,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Zr,4.0,A3B_tI8_139_ad_b:In-Zr +mp-1078602,ZrIn3,-4.40874486,-0.208056905,0.003277235,-0.0076137712,GGA,I4/mmm,A3B_tI16_139_cde_e:In-Zr,8.0,A3B_tI16_139_cde_e:In-Zr +mp-1223977,In5Pt11,-5.4176876737,-0.3838823506,0.0203754796,0.0203754796,GGA,P2/m,A5B11_mP16_10_a2n_cdg2m2n:In-Pt,16.0,"Invalid WP multiplicities - A5B11_mP16_10_a3n_cdg2m3n:In-Pt, expected In7Pt13 to be In5Pt11" +mp-510439,In2Pt3,-5.2177172,-0.474363716,0.0,-0.0510018558,GGA,P6_3/mmc,A2B3_hP20_194_bcf_k:In-Pt,20.0,A2B3_hP20_194_bcf_k:In-Pt +mp-1188953,Zr5Pt3,-8.4311486356,-0.8121607469000001,4.62594e-05,4.62594e-05,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Zr,16.0,A3B5_hP16_193_g_dg:Pt-Zr +mp-22075,In7Pt3,-4.178056198,-0.430537591,0.0,-0.010408885,GGA,Im-3m,A7B3_cI40_229_df_e:In-Pt,20.0,A7B3_cI40_229_df_e:In-Pt +mp-1215299,ZrInPt2,-6.61921036,-0.75879761,0.0857948956,0.0857948956,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Pt-Zr,4.0,AB2C_tP4_123_a_h_b:In-Pt-Zr +mp-571310,ZrInPt2,-6.6586114875,-0.7981987375,0.0463937681,0.0463937681,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pt-Zr,4.0,AB2C_cF16_225_a_c_b:In-Pt-Zr +mp-1191960,Zr2Pt,-8.42637792,-0.7041997267,0.0177620567,0.0177620567,GGA,Fd-3m,AB2_cF96_227_e_cf:Pt-Zr,24.0,AB2_cF96_227_e_cf:Pt-Zr +mp-510438,InPt,-4.864805627,-0.453397102,0.018133848,0.018133848,GGA,C2/m,AB_mC20_12_a2i_d2i:In-Pt,10.0,AB_mC20_12_a2i_d2i:In-Pt +mp-1223656,InPt,-4.65705399,-0.245645465,0.225885485,0.225885485,GGA,R-3m,AB_hR6_166_a_b:In-Pt,2.0,AB_hR6_166_a_b:In-Pt +mp-1207687,Zr2In3,-5.040788244,0.029302246,0.315444057,0.315444057,GGA,I4_1/amd,A3B2_tI40_141_ch_h:In-Zr,20.0,A3B2_tI40_141_ch_h:In-Zr +mp-1207380,ZrIn,-5.96416044,-0.31446826,0.0,-0.053826152,GGA,P4/mmm,AB_tP2_123_a_d:In-Zr,2.0,AB_tP2_123_a_d:In-Zr +mp-1215265,ZrIn,-5.8107988850000005,-0.161106705,0.153361555,0.099535403,GGA,R-3m,AB_hR6_166_a_b:In-Zr,2.0,AB_hR6_166_a_b:In-Zr +mp-1224298,In3Pt4,-5.0847651957,-0.4362531286,0.0373012257,0.0373012257,GGA,P1,A3B4_aP21_1_9a_12a:In-Pt,21.0,A3B4_aP21_1_9a_12a:In-Pt +mp-571060,In9Pt13,-5.1381588141,-0.4249821445,0.0491240473,0.0491240473,GGA,C2/m,A9B13_mC44_12_a2ij_bfh2ij:In-Pt,22.0,"Invalid WP multiplicities - A9B13_mC44_12_a3i2j_be2h4i3j:In-Pt, expected In5Pt9 to be In9Pt13" +mp-30859,Zr9Pt11,-8.1807496185,-0.995161009,0.0833629593,0.0833629593,GGA,I4/m,A11B9_tI40_87_adi_b2h:Pt-Zr,20.0,A11B9_tI40_87_adi_b2h:Pt-Zr +mp-1223755,InPt2,-5.3547918208,-0.3901416975,0.0308080103,0.0308080103,GGA,P2/m,AB2_mP24_10_m3n_acdg3m3n:In-Pt,24.0,AB2_mP24_10_m5n_acdg5m5n:In-Pt +mp-1224042,In3Pt5,-5.1088639513,-0.2825242275,0.1718092354,0.1718092354,GGA,P-6m2,A3B5_hP8_187_ah_b2i:In-Pt,8.0,"Invalid WP multiplicities - A3B5_hP8_187_ah_b3i:In-Pt, expected In3Pt7 to be In3Pt5" +mp-1065995,ZrPt,-8.39235965,-1.082942675,0.0,-0.1166187703,GGA,Cmcm,AB_oC8_63_c_c:Pt-Zr,4.0,AB_oC8_63_c_c:Pt-Zr +mp-11554,ZrPt,-8.21820331,-0.908786335,0.17415634,0.0575375697,GGA,Pm-3m,AB_cP2_221_a_b:Pt-Zr,2.0,AB_cP2_221_a_b:Pt-Zr +mp-20516,InPt3,-5.59545312,-0.3541821975,0.0,-0.047076317,GGA,Pm-3m,AB3_cP4_221_a_c:In-Pt,4.0,AB3_cP4_221_a_c:In-Pt +mp-1207440,Zr7Pt10,-8.1660412874,-1.0751449574,0.0,-0.0137971872,GGA,Cmce,A10B7_oC68_64_f2g_adef:Pt-Zr,34.0,A10B7_oC68_64_f2g_adef:Pt-Zr +mp-1223728,In2Pt,-4.0381609333,-0.1799940067,0.2868156667,0.2616481507,GGA,P-3m1,A2B_hP3_164_d_a:In-Pt,3.0,A2B_hP3_164_d_a:In-Pt +mp-22682,In2Pt,-4.3249766,-0.4668096733,0.0,-0.025167516,GGA,Fm-3m,A2B_cF12_225_c_a:In-Pt,3.0,A2B_cF12_225_c_a:In-Pt +mp-437,MgAu,-3.044165975,-0.6070849500000001,0.0,-0.1265916679,GGA,Pm-3m,AB_cP2_221_a_b:Au-Mg,2.0,AB_cP2_221_a_b:Au-Mg +mp-30407,Mg13Au41,-3.2643490831,-0.3933712563,0.0,-2.80357e-05,GGA,P6_3/mcm,A41B13_hP108_193_dg2i3jk_b2gi:Au-Mg,108.0,A41B13_hP108_193_dg2i3jk_b2gi:Au-Mg +mp-1185573,Mg149Au,-1.6455192423,-0.0340818459,0.0,-0.0230084528,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Au-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Au-Mg, expected Mg315Au to be Mg149Au" +mp-1185854,MgAu2,-3.1674721317,-0.4514574483,0.0228127947,0.0228127947,GGA,C2/m,A2B_mC12_12_2i_i:Au-Mg,6.0,A2B_mC12_12_2i_i:Au-Mg +mp-1185857,MgAu2,-3.1754478267,-0.4594331433,0.0148370997,0.0148370997,GGA,Cmcm,A2B_oC12_63_2c_c:Au-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Au-Mg, expected MgAu4 to be MgAu2" +mp-30408,MgAu3,-3.2613590869,-0.4058775744,0.0019853151,-0.0048736862,GGA,Cmcm,A3B_oC64_63_2cdef2g_2cf:Au-Mg,32.0,A3B_oC64_63_2cdef2g_2cf:Au-Mg +mp-570017,MgAu3,-3.263344402,-0.4078628895,0.0,-0.0068590013,GGA,Cmcm,A3B_oC160_63_2c4f2g4h_2c4f:Au-Mg,80.0,"Invalid WP multiplicities - A3B_oC160_63_4c15f7g27h_4c13f:Au-Mg, expected Mg5Au26 to be MgAu3" +mp-1185848,MgAu3,-3.25156657,-0.3960850575,0.011777832,0.0049188307,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Mg,4.0,A3B_tI8_139_ad_b:Au-Mg +mp-864935,MgAu3,-3.255480855,-0.3999993425,0.007863547,0.0010045457,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Mg,8.0,A3B_hP8_194_h_c:Au-Mg +mp-1185846,MgAu3,-3.2466947025,-0.39121319,0.0166496995,0.0097906982,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Mg,4.0,A3B_cP4_221_c_a:Au-Mg +mp-1557,Mg3Au,-2.4334946717,-0.4148141342,0.00043811,-0.0325136661,GGA,P-3c1,AB3_hP24_165_f_adg:Au-Mg,24.0,"Invalid WP multiplicities - AB3_hP24_165_f_ad2g:Au-Mg, expected Mg5Au to be Mg3Au" +mp-17783,Mg3Au,-2.4339327817,-0.4152522442,0.0,-0.0329517761,GGA,P6_3cm,AB3_hP24_185_c_ab2c:Au-Mg,24.0,AB3_hP24_185_c_ab2c:Au-Mg +mp-11251,Mg3Au,-2.2179450563,-0.1992645188,0.2159877254,0.1830359493,GGA,P6_3/mmc,AB3_hP8_194_b_cf:Au-Mg,8.0,"Invalid WP multiplicities - AB3_hP8_194_b_c2f:Au-Mg, expected Mg5Au to be Mg3Au" +mp-1078964,Mg3Au,-2.4124803062,-0.3937997688,0.0214524754,-0.0114993007,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Au-Mg,8.0,AB3_hP8_194_c_bf:Au-Mg +mp-1185813,Mg5Au,-2.08270316,-0.2034894517,0.0812249849,0.0812249849,GGA,R32,AB5_hR18_155_a_ce:Au-Mg,6.0,AB5_hR18_155_a_ce:Au-Mg +mp-1186494,Pm3Au,-4.590311025,-0.2089337831,0.0230085675,0.0109210792,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Pm,4.0,AB3_tI8_139_a_bd:Au-Pm +mp-1186500,Pm3Au,-4.6133195925,-0.2319423506,0.0,-0.0120874883,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Pm,8.0,AB3_hP8_194_c_h:Au-Pm +mp-11250,Mg2Au,-2.6597007875000003,-0.5015534208,0.0,-0.0223569414,GGA,Pnma,AB2_oP12_62_c_2c:Au-Mg,12.0,AB2_oP12_62_c_2c:Au-Mg +mp-1222172,Mg3Au13,-3.2699367588,-0.3098551244,0.0,-0.0034794344,GGA,P4mm,A13B3_tP16_99_2a3b4c_2ab:Au-Mg,16.0,"Invalid WP multiplicities - A13B3_tP16_99_2a3b7c_2ab:Au-Mg, expected Mg3Au19 to be Mg3Au13" +mp-862933,PmMgAu2,-3.971881835,-0.7472352419,0.0,-0.2208160325,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Pm +mp-1185695,MgAu5,-3.248012305,-0.2530639633,0.0223628139,0.0223628139,GGA,R32,A5B_hR18_155_cd_b:Au-Mg,6.0,A5B_hR18_155_cd_b:Au-Mg +mp-1185852,MgAu5,-3.2550647067,-0.260116365,0.0153104122,0.0153104122,GGA,P-62m,A5B_hP6_189_cg_a:Au-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:Au-Mg, expected MgAu7 to be MgAu5" +mp-862985,PmAu3,-4.3026116675,-0.6595645869,0.0,-0.58225047,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Pm,8.0,A3B_hP8_194_h_c:Au-Pm +mp-1186538,PmAu3,-4.28985366,-0.6468065794,0.0127580075,-0.5694924625000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Pm,4.0,A3B_cF16_225_ac_b:Au-Pm +mp-2576,Sr2Ge,-3.1996992325,-0.5323609786,0.0,-0.0411752521,GGA,Pnma,AB2_oP12_62_c_2c:Ge-Sr,12.0,AB2_oP12_62_c_2c:Ge-Sr +mp-1203966,SrHg8,-0.6279694769,-0.1703098799,0.0262830186,0.0262830186,GGA,Pnma,A8B_oP72_62_16c_2c:Hg-Sr,72.0,A8B_oP72_62_16c_2c:Hg-Sr +mp-1184688,Hg3Ge,-1.128602965,0.2549142725,0.2549142725,0.2549142725,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Hg,8.0,AB3_hP8_194_c_h:Ge-Hg +mp-1198122,Sr7Ge6,-3.62940346,-0.5859710521,0.0145084417,0.0145084417,GGA,Pnma,A6B7_oP52_62_2c2d_c3d:Ge-Sr,52.0,A6B7_oP52_62_2c2d_c3d:Ge-Sr +mp-1095972,Sr2HgGe,-1.0895802025,0.9868435792,1.5624298487,1.5624298487,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Hg-Sr,4.0,ABC2_oI8_71_a_b_e:Ge-Hg-Sr +mp-1187086,Sr2HgGe,-2.6372783125,-0.5608545308,0.0147317388,0.0147317388,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hg-Sr,4.0,ABC2_cF16_225_a_b_c:Ge-Hg-Sr +mp-542,SrHg,-1.5268444,-0.5302574908000001,0.0,-0.068110385,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Sr,2.0,AB_cP2_221_a_b:Hg-Sr +mp-2147,SrGe,-3.7771757025,-0.6209150483,0.0,-0.0520306287,GGA,Cmcm,AB_oC8_63_c_c:Ge-Sr,4.0,AB_oC8_63_c_c:Ge-Sr +mp-1199288,Sr13Hg58,-0.8454704964,-0.2880497068,0.0318651631,0.0318651631,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Hg-Sr,142.0,A58B13_hP142_194_bcfghij4kl_a2hk:Hg-Sr +mp-1209515,Sr11Hg54,-0.8079783377,-0.2697757577,0.028206061,0.028206061,GGA,P-6,A54B11_hP65_174_adgh3jk6l_ij2k:Hg-Sr,65.0,A54B11_hP65_174_adgh3jk6l_ij2k:Hg-Sr +mp-1219820,Sr21Hg109,-0.8133583087,-0.2858158294,0.0,-0.0107321728,GGA,P1,A109B21_aP130_1_109a_21a:Hg-Sr,130.0,A109B21_aP130_1_109a_21a:Hg-Sr +mp-568526,SrHg2,-1.2457249283,-0.4801068672,0.0080480483,-0.0195378992,GGA,Imma,A2B_oI12_74_h_e:Hg-Sr,6.0,A2B_oI12_74_h_e:Hg-Sr +mp-11472,SrHg2,-1.2537729767,-0.4881549156,0.0,-0.0275859475,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Sr,3.0,A2B_hP3_191_c_b:Hg-Sr +mp-1105844,Sr3Hg,-1.6196339731,-0.2765937919,0.0024952206,0.0024952206,GGA,Pnma,AB3_oP16_62_c_cd:Hg-Sr,16.0,AB3_oP16_62_c_cd:Hg-Sr +mp-1187119,Sr3Hg,-1.45843445,-0.1153942688,0.1636947438,0.1636947438,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Sr,4.0,AB3_cP4_221_a_c:Hg-Sr +mp-982376,SrHg3,-1.0591822225,-0.4090485854,0.0166761212,-0.0138821935,GGA,Pmmn,A3B_oP8_59_ae_b:Hg-Sr,8.0,"Invalid WP multiplicities - A3B_oP8_59_2a2e_b:Hg-Sr, expected SrHg6 to be SrHg3" +mp-1189701,SrHg3,-1.0446356931,-0.394502056,0.0312226506,0.0006643359,GGA,Pnma,A3B_oP16_62_cd_c:Hg-Sr,16.0,A3B_oP16_62_cd_c:Hg-Sr +mp-1080094,SrHg3,-1.0712063913,-0.4210727542,0.0046519525,-0.0259063622,GGA,Cmcm,A3B_oC16_63_cg_c:Hg-Sr,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c3g_c:Hg-Sr, expected SrHg8 to be SrHg3" +mp-1080552,SrHg3,-1.0758583438,-0.4257247067,0.0,-0.0305583147,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Sr,8.0,A3B_hP8_194_h_c:Hg-Sr +mp-1105296,SrGe3,-4.1714234944,-0.2817792398,0.0893525194,0.0893525194,GGA,I4/mmm,A3B_tI32_139_im_de:Ge-Sr,16.0,A3B_tI32_139_im_de:Ge-Sr +mp-13427,Sr3Hg2,-1.581710638,-0.44654242,0.0,-0.0177504087,GGA,P4/mbm,A2B3_tP10_127_g_ah:Hg-Sr,10.0,A2B3_tP10_127_g_ah:Hg-Sr +mp-17757,Sr5Ge3,-3.3421527963,-0.5525839423000001,0.0019155537,0.0019155537,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ge-Sr,16.0,A3B5_tI32_140_ah_cl:Ge-Sr +mp-1244,SrGe2,-4.1274548888,-0.4822718343,0.0125705112,-0.0683284687,GGA,Pnma,A2B_oP24_62_2cd_2c:Ge-Sr,24.0,A2B_oP24_62_2cd_2c:Ge-Sr +mp-7390,SrGe2,-4.1400254,-0.4948423456,0.0,-0.08089898,GGA,P-3m1,A2B_hP3_164_d_a:Ge-Sr,3.0,A2B_hP3_164_d_a:Ge-Sr +mp-1197367,SrHg11,-0.5187080031,-0.099543214,0.0479014599,0.0479014599,GGA,Pm-3m,A11B_cP36_221_agij_c:Hg-Sr,36.0,A11B_cP36_221_agij_c:Hg-Sr +mp-1218949,Sr14Hg51,-0.9587035738,-0.3565403898,0.0144373649,0.0144373649,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Hg-Sr,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Hg-Sr, expected Sr14Hg71 to be Sr14Hg51" +mp-1184726,HgGe3,-3.194261755,0.3489292275,0.3489292275,0.3489292275,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Hg,8.0,A3B_hP8_194_h_c:Ge-Hg +mp-1184571,HgGe3,-3.2008865275,0.342304455,0.342304455,0.342304455,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Hg,4.0,A3B_cP4_221_c_a:Ge-Hg +mp-978984,TmMgPt2,-5.61539941,-1.0608038817,0.0,-0.0232883863,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pt-Tm,4.0,AB2C_cF16_225_a_c_b:Mg-Pt-Tm +mp-1183306,AlRh3,-6.931956215,-0.472331355,0.0721545925,0.0721545925,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Rh,8.0,AB3_hP8_194_c_h:Al-Rh +mp-1203489,Al13Rh4,-5.1999539706,-0.6029117782,0.0223804461,0.0223804461,GGA,C2/m,A13B4_mC102_12_ah8i5j_4ij:Al-Rh,51.0,A13B4_mC102_12_ah8i5j_4ij:Al-Rh +mp-1645,Al9Rh2,-4.9060863568,-0.5025592468,0.0,-0.0310062266,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Al-Rh,22.0,"Invalid WP multiplicities - A9B2_mP22_14_a5e_e:Al-Rh, expected Al11Rh2 to be Al9Rh2" +mp-364,AlRh,-6.643913745,-1.088971895,0.0,-0.4719664063,GGA,Pm-3m,AB_cP2_221_a_b:Al-Rh,2.0,AB_cP2_221_a_b:Al-Rh +mp-1183412,BeAl3,-3.5844543925,0.1595806962,0.1595806962,0.1595806962,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Be,4.0,A3B_tI8_139_ad_b:Al-Be +mp-862287,BeAlRh2,-6.4222953575,-0.8688942488,0.0,-0.02050034,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Be-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Be-Rh +mp-1791,Al5Rh2,-5.5205111589,-0.7410118889,0.0,-0.0455172313,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Al-Rh,28.0,A5B2_hP28_194_ahk_ch:Al-Rh +mp-1106137,Eu7Au3,-8.718672979,-0.556607119,0.0,-0.0038572714,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Au-Eu,20.0,A3B7_hP20_186_c_b2c:Au-Eu +mp-1102568,EuZnAu,-5.5636915383000005,-0.6334824017,0.0,-0.0444764,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Eu-Zn,12.0,ABC_oP12_62_c_c_c:Au-Eu-Zn +mp-2436,EuZn5,-3.0153471617,-0.25606052,0.0,-0.0193582322,GGA,P6/mmm,AB5_hP6_191_a_cg:Eu-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Eu-Zn, expected EuZn8 to be EuZn5" +mp-1227723,Eu4Zn51,-2.0959685629,-0.1818789027,0.0,-0.0045649015,GGA,R-3,A4B51_hR165_148_2c_ac8f:Eu-Zn,55.0,"Invalid WP multiplicities - A4B51_hR165_148_4c_ac48f:Eu-Zn, expected Eu8Zn291 to be Eu4Zn51" +mp-669703,EuZn13,-2.0769597643,-0.174554855,0.0040762102,0.0040762102,GGA,Fm-3c,AB13_cF112_226_a_bi:Eu-Zn,28.0,AB13_cF112_226_a_bi:Eu-Zn +mp-681,EuZn2,-4.5692424783,-0.310412805,0.0,-0.0457580275,GGA,Imma,AB2_oI12_74_e_h:Eu-Zn,6.0,AB2_oI12_74_e_h:Eu-Zn +mp-1184264,EuZnAu2,-5.0195711625,-0.50344381,0.0845024172,0.0845024172,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Zn +mp-1191536,EuZn11,-2.209362155,-0.1998470292,0.0,-0.0095927826,GGA,I4_1/amd,AB11_tI48_141_b_aci:Eu-Zn,24.0,AB11_tI48_141_b_aci:Eu-Zn +mp-1071698,EuAu2,-6.3556825417,-0.7540939417,0.0,-0.1100105358,GGA,Imma,A2B_oI12_74_h_e:Au-Eu,6.0,A2B_oI12_74_h_e:Au-Eu +mp-510098,EuAu5,-4.8729172217,-0.4351819217,0.0,-0.0581349508,GGA,P6/mmm,A5B_hP6_191_cg_a:Au-Eu,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Au-Eu, expected EuAu13 to be EuAu5" +mp-1184375,EuAu3,-5.555750235,-0.536088285,0.0585496467,0.0585496467,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Eu,4.0,A3B_tI8_139_ad_b:Au-Eu +mp-1184419,EuAu3,-5.5753217287,-0.5556597787,0.0389781529,0.0389781529,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Eu,8.0,A3B_hP8_194_h_c:Au-Eu +mp-1184365,EuAu3,-5.55432463,-0.5346626800000001,0.0599752517,0.0599752517,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Eu,4.0,A3B_cF16_225_ac_b:Au-Eu +mp-1104457,Eu3Au2,-8.1741488327,-0.7103949527,0.0,-0.0216260632,GGA,R-3,A2B3_hR45_148_f_acf:Au-Eu,15.0,A2B3_hR45_148_f_acf:Au-Eu +mp-1261,EuZn,-6.03162174,-0.273249035,0.0,-0.0404394313,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Zn,2.0,AB_cP2_221_a_b:Eu-Zn +mp-1189094,Eu3Au,-8.985149145,-0.473927295,0.0,-0.0100880292,GGA,Pnma,AB3_oP16_62_c_cd:Au-Eu,16.0,AB3_oP16_62_c_cd:Au-Eu +mp-1078589,EuAu,-7.58637256,-0.82093066,0.0,-0.0941485865,GGA,Pnma,AB_oP8_62_c_c:Au-Eu,8.0,AB_oP8_62_c_c:Au-Eu +mp-1228815,AlRe,-8.4108314025,-0.315779895,0.0,-0.020089315,GGA,P4/nmm,AB_tP4_129_c_c:Al-Re,4.0,AB_tP4_129_c_c:Al-Re +mp-10908,AlRe,-8.10546931,-0.0104178025,0.3053620925,0.2852727775,GGA,Pm-3m,AB_cP2_221_a_b:Al-Re,2.0,AB_cP2_221_a_b:Al-Re +mp-1208386,Tb(Al5Re)2,-5.5085145383,-0.3562700175,0.0,-0.0179099531,GGA,Cmcm,A10B2C_oC104_63_de4f2gh_h_ac:Al-Re-Tb,52.0,A10B2C_oC104_63_de4f2gh_h_ac:Al-Re-Tb +mp-16528,Al6Re,-5.1940901857,-0.2058070193,0.0064653561,0.0064653561,GGA,Cmcm,A6B_oC28_63_efg_c:Al-Re,14.0,A6B_oC28_63_efg_c:Al-Re +mp-1648,Al12Re,-4.558126,-0.1434000658,0.0,-0.0325809015,GGA,Im-3,A12B_cI26_204_g_a:Al-Re,13.0,A12B_cI26_204_g_a:Al-Re +mp-10909,AlRe2,-9.8077753933,-0.26289866,0.0,-0.05237873,GGA,I4/mmm,AB2_tI6_139_a_e:Al-Re,3.0,AB2_tI6_139_a_e:Al-Re +mp-1192984,Al5Re24,-11.0196624462,-0.0749544603,0.0610276052,0.0610276052,GGA,I-43m,A5B24_cI58_217_ac_2g:Al-Re,29.0,A5B24_cI58_217_ac_2g:Al-Re +mp-1214889,Al11Re4,-6.4068954593,-0.341599268,0.0,-0.0976683185,GGA,P-1,A11B4_aP15_2_a5i_2i:Al-Re,15.0,A11B4_aP15_2_a5i_2i:Al-Re +mp-1102249,TbRe2,-10.0369028683,-0.1957627117,0.0,-0.1957627117,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Tb,12.0,A2B_hP12_194_ah_f:Re-Tb +mp-30863,Sc57Rh13,-6.944455616,-0.4203593118,0.0,-0.0373380451,GGA,Pm-3,A13B57_cP140_200_abjk_efh2j2k2l:Rh-Sc,140.0,A13B57_cP140_200_abjk_efh2j2k2l:Rh-Sc +mp-635,ScRh3,-7.7131895625,-0.6068413838,0.0,-0.0912358325,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Sc,4.0,A3B_cP4_221_c_a:Rh-Sc +mp-2583,TiRh,-8.37127207,-0.7413721267000001,0.0,-0.0298280664,GGA,P4/mmm,AB_tP2_123_a_d:Rh-Ti,2.0,AB_tP2_123_a_d:Rh-Ti +mp-11563,TiRh,-8.35115537,-0.7212554267,0.0201166999999999,-0.0097113664,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Ti,2.0,AB_cP2_221_a_b:Rh-Ti +mp-1780,ScRh,-7.87959959,-1.0312111025,0.0,-0.5069883582,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Sc,2.0,AB_cP2_221_a_b:Rh-Sc +mp-1152,TiRh3,-8.1150613775,-0.6179574708000001,0.0,-0.100704005,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Ti,4.0,A3B_cP4_221_c_a:Rh-Ti +mp-17413,Ti3Rh5,-8.3393821237,-0.7758801987,0.0,-0.0962153999999999,GGA,Pbam,A5B3_oP16_55_agh_ch:Rh-Ti,16.0,A5B3_oP16_55_agh_ch:Rh-Ti +mp-1096387,ScTiRh2,-5.12460313,2.1145410854,3.0008327,3.0008327,GGA,Immm,A2BC_oI8_71_e_a_b:Rh-Sc-Ti,4.0,A2BC_oI8_71_e_a_b:Rh-Sc-Ti +mp-1018124,Ti2Rh,-8.3441931767,-0.6257625422,0.0,-0.1315144578,GGA,I4/mmm,AB2_tI6_139_a_e:Rh-Ti,3.0,AB2_tI6_139_a_e:Rh-Ti +mp-433,DyAl,-4.5918073806,-0.4156260456,0.0,-0.0137290223,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Dy,16.0,AB_oP16_57_cd_2d:Al-Dy +mp-11843,DyAl,-4.567949475,-0.39176814,0.0238579056,0.0101288833,GGA,Pm-3m,AB_cP2_221_a_b:Al-Dy,2.0,AB_cP2_221_a_b:Al-Dy +mp-570093,DyZn2,-2.76807658,-0.3926518933,0.0,-0.0334582733,GGA,Imma,AB2_oI12_74_e_h:Dy-Zn,6.0,AB2_oI12_74_e_h:Dy-Zn +mp-571624,Dy3Al2,-4.5813561365,-0.3190537005,0.0193740047,0.0193740047,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Dy,20.0,A2B3_tP20_136_j_dfg:Al-Dy +mp-30626,DyZn3,-2.461950725,-0.3654463075,0.0,-0.0094769619,GGA,Pnma,AB3_oP16_62_c_3c:Dy-Zn,16.0,AB3_oP16_62_c_3c:Dy-Zn +mp-1184122,Dy3Al,-4.5877741225,-0.196290035,0.0189315737,0.0189315737,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Dy,8.0,AB3_hP8_194_c_h:Al-Dy +mp-1184060,Dy3Al,-4.5773169975,-0.18583291,0.0293886988,0.0293886988,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Dy,4.0,AB3_cP4_221_a_c:Al-Dy +mp-865159,Dy2AlZn,-3.93473723,-0.38001395,0.0011431953,0.0011431953,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Dy-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Dy-Zn +mp-1193674,Dy6Zn23,-2.2675756797,-0.3153403669,0.0250263624,0.0250263624,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Dy-Zn,29.0,A6B23_cF116_225_e_ad2f:Dy-Zn +mp-1104551,DyZn12,-1.7018167462,-0.1846082723,0.0,-0.0062021127,GGA,I4/mmm,AB12_tI26_139_a_fij:Dy-Zn,13.0,AB12_tI26_139_a_fij:Dy-Zn +mp-803,DyAl2,-4.5494780683,-0.5168319017,0.0,-0.0921896748,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Dy,6.0,A2B_cF24_227_c_b:Al-Dy +mp-30964,Dy2Zn17,-1.8561986947,-0.2441347447,0.0,-0.0216477845,GGA,R-3m,A2B17_hR57_166_c_cdfh:Dy-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Dy-Zn, expected Dy2Zn23 to be Dy2Zn17" +mp-570071,Dy2Zn17,-1.8537818403,-0.2417178903,0.0024168545,-0.0192309301,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Dy-Zn,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_4f4g9j8k:Dy-Zn, expected DyZn61 to be Dy2Zn17" +mp-1198587,Dy2Al17,-3.9306135342,-0.0943839137,0.0863109568,0.0863109568,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Al-Dy,38.0,A17B2_hP38_194_fgjk_bc:Al-Dy +mp-1102728,Dy2Al,-4.6066786483,-0.286962145,0.0,-0.0098781146,GGA,Pnma,AB2_oP12_62_c_2c:Al-Dy,12.0,AB2_oP12_62_c_2c:Al-Dy +mp-1212899,Dy4Al,-3.925305858,0.50923878,0.681416067,0.681416067,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Dy,10.0,AB4_cF40_227_a_e:Al-Dy +mp-983585,Al3Zn,-3.0991512325,0.0249665425,0.0249665425,0.0249665425,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Zn,4.0,A3B_cP4_221_c_a:Al-Zn +mp-1197303,Dy13Zn58,-2.1991024875,-0.3265199763,0.0,-0.0148390332,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Dy-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Dy-Zn +mp-30627,DyZn5,-2.10285187,-0.2852677217,0.0238598168,0.0238598168,GGA,P6/mmm,AB5_hP6_191_a_cg:Dy-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Dy-Zn, expected DyZn8 to be DyZn5" +mp-31178,DyAl3,-4.24680237,-0.2859237875,0.14322653,0.1017001388,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Dy,4.0,A3B_tI8_139_ad_b:Al-Dy +mp-1103088,DyAl3,-4.3900289,-0.4291503175,0.0,-0.0415263912,GGA,R-3m,A3B_hR36_166_dh_bc:Al-Dy,12.0,A3B_hR36_166_dh_bc:Al-Dy +mp-1106237,DyAl3,-4.3848436015,-0.423965019,0.0051852985,-0.0363410927,GGA,R-3m,A3B_hR60_166_d2h_b2c:Al-Dy,20.0,A3B_hR60_166_d2h_b2c:Al-Dy +mp-569981,DyAl3,-4.3881303794,-0.4272517969,0.0018985206,-0.0396278706,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Al-Dy,16.0,"Invalid WP multiplicities - A3B_hP16_194_3g3h_2ac:Al-Dy, expected DyAl6 to be DyAl3" +mp-864995,DyAl3,-4.3896120875,-0.428733505,0.0004168125,-0.0411095787,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Dy,8.0,A3B_hP8_194_h_c:Al-Dy +mp-567589,DyAl3,-4.383816775,-0.4229381925,0.006212125,-0.0353142662,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Dy,4.0,A3B_cP4_221_c_a:Al-Dy +mp-1104161,Dy3Zn11,-2.3157125314,-0.3387453721,0.0059207134,0.0059207134,GGA,Immm,A3B11_oI28_71_ag_bf2n:Dy-Zn,14.0,A3B11_oI28_71_ag_bf2n:Dy-Zn +mp-1018674,DyAlZn,-3.6591814317,-0.455146005,0.0,-0.0004041075,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Dy-Zn,6.0,ABC_hP6_194_c_a_d:Al-Dy-Zn +mp-1206713,Al2Zn,-2.9090789667,0.0078861233,0.0078861233,0.0078861233,GGA,P-3m1,A2B_hP3_164_d_a:Al-Zn,3.0,A2B_hP3_164_d_a:Al-Zn +mp-2303,DyZn,-3.27995347,-0.346688245,0.0,-0.052199325,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Zn,2.0,AB_cP2_221_a_b:Dy-Zn +mp-1208273,Ti2Se3,-6.7095949395000005,-1.4538512462,0.0124558325,0.0124558325,GGA,P-31c,A3B2_hP20_163_i_bcf:Se-Ti,20.0,A3B2_hP20_163_i_bcf:Se-Ti +mp-1216675,TiMo2,-9.9500383367,-0.0877742578,0.0431154341,0.0431154341,GGA,Fmmm,A2B_oF12_69_g_a:Mo-Ti,3.0,A2B_oF12_69_g_a:Mo-Ti +mp-1104333,Ti(Mo3Se4)2,-7.4889502093,-0.7598379095000001,0.1293984938,0.1293984938,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Ti,15.0,"Invalid WP multiplicities - A6B8C_hR45_148_f_c2f_a:Mo-Se-Ti, expected Ti(Mo3Se7)2 to be Ti(Mo3Se4)2" +mp-679962,Ti8Se3,-7.4990472564,-0.8034408412,0.0059851464,0.0059851464,GGA,C2/m,A3B8_mC88_12_6i_16i:Se-Ti,44.0,"Invalid WP multiplicities - A3B8_mC88_12_12i_30i:Se-Ti, expected Ti5Se2 to be Ti8Se3" +mp-1186027,MoSe,-7.292124335,-0.1213435412,0.619446515,0.619446515,GGA,P-6m2,AB_hP2_187_a_d:Mo-Se,2.0,AB_hP2_187_a_d:Mo-Se +mp-7581,MoSe2,-6.93339464,-0.9875702849,0.00014979,-0.3764346844,GGA,R3m,AB2_hR9_160_a_2a:Mo-Se,3.0,AB2_hR9_160_a_2a:Mo-Se +mp-1023940,MoSe2,-6.93317348,-0.9873491249,0.00037095,-0.3762135244,GGA,P-3m1,AB2_hP6_164_d_2d:Mo-Se,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Mo-Se, expected MoSe3 to be MoSe2" +mp-1027692,MoSe2,-6.93354443,-0.9877200749,0.0,-0.3765844744,GGA,P-3m1,AB2_hP12_164_2d_4d:Mo-Se,12.0,"Invalid WP multiplicities - AB2_hP12_164_3d_7d:Mo-Se, expected Mo3Se7 to be MoSe2" +mp-1025799,MoSe2,-6.9334325944,-0.9876082393,0.0001118356,-0.3764726389,GGA,P-6m2,AB2_hP9_187_ah_2gh:Mo-Se,9.0,"Invalid WP multiplicities - AB2_hP9_187_ah_4g2h:Mo-Se, expected MoSe4 to be MoSe2" +mp-1023934,MoSe2,-6.9323852200000005,-0.9865608649,0.00115921,-0.3754252644,GGA,P-6m2,AB2_hP3_187_a_h:Mo-Se,3.0,AB2_hP3_187_a_h:Mo-Se +mp-1018807,MoSe2,-6.9310560783,-0.9852317232,0.0024883517,-0.3740961227,GGA,P6_3/mmc,AB2_hP6_194_b_f:Mo-Se,6.0,AB2_hP6_194_b_f:Mo-Se +mp-1634,MoSe2,-6.9333597033,-0.9875353482,0.0001847267,-0.3763997477,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mo-Se,6.0,AB2_hP6_194_c_f:Mo-Se +mp-510285,Ti11Se4,-7.5070649518,-0.7847944122,0.0069617882,0.0069617882,GGA,C2/m,A4B11_mC90_12_6i_a16i:Se-Ti,45.0,A4B11_mC90_12_6i_a16i:Se-Ti +mp-32630,Ti19Se20,-6.9776225374,-1.338325669,0.0464079015,0.0464079015,GGA,P-1,A20B19_aP39_2_10i_acd8i:Se-Ti,39.0,"Invalid WP multiplicities - A20B19_aP39_2_20i_acd16i:Se-Ti, expected Ti7Se8 to be Ti19Se20" +mp-743270,Mo15Se19,-7.0332426678,-0.2947994406,0.5331423869,0.5331423869,GGA,C2/c,A15B19_mC136_15_e7f_e9f:Mo-Se,68.0,"Invalid WP multiplicities - A15B19_mC136_15_2e27f_2e29f:Mo-Se, expected Mo14Se15 to be Mo15Se19" +mp-568488,Mo15Se19,-7.5009452237,-0.7625019965000001,0.065439831,0.065439831,GGA,R-3c,A15B19_hR204_167_e2f_2ce2f:Mo-Se,68.0,"Invalid WP multiplicities - A15B19_hR204_167_5e14f_8c6e15f:Mo-Se, expected Mo99Se124 to be Mo15Se19" +mp-570170,Mo15Se19,-7.5025716732,-0.7641284460000001,0.0638133815,0.0638133815,GGA,P6_3/m,A15B19_hP68_176_h2i_efh2i:Mo-Se,68.0,"Invalid WP multiplicities - A15B19_hP68_176_5h19i_4e4f6h15i:Mo-Se, expected Mo129Se124 to be Mo15Se19" +mp-571651,TiSe,-7.0453549737,-1.3496532266,0.0134896906,0.0134896906,GGA,Pnma,AB_oP8_62_c_c:Se-Ti,8.0,AB_oP8_62_c_c:Se-Ti +mp-13152,TiSe,-6.7612486025,-1.0655468553,0.2975960619,0.2975960619,GGA,P4/nmm,AB_tP4_129_c_a:Se-Ti,4.0,AB_tP4_129_c_a:Se-Ti +mp-1079888,TiSe,-6.8804278025,-1.1847260553,0.1784168619,0.1784168619,GGA,R-3m,AB_hR24_166_2c_abc:Se-Ti,8.0,AB_hR24_166_2c_abc:Se-Ti +mp-10027,TiSe,-6.7940286,-1.0983268528,0.2648160644,0.2648160644,GGA,P6_3/mmc,AB_hP4_194_a_c:Se-Ti,4.0,AB_hP4_194_a_c:Se-Ti +mp-568789,TiSe,-7.018912315,-1.3232105678,0.0399323494,0.0399323494,GGA,P6_3/mmc,AB_hP4_194_c_a:Se-Ti,4.0,AB_hP4_194_c_a:Se-Ti +mp-299,Mo9Se11,-7.5372241603,-0.7339302980000001,0.0809387638,0.0809387638,GGA,Cmcm,A9B11_oC80_63_cfgh_cf2gh:Mo-Se,40.0,"Invalid WP multiplicities - A9B11_oC80_63_cfgh_c2f2gh:Mo-Se, expected Mo9Se13 to be Mo9Se11" +mp-638048,Mo9Se11,-7.552999039999999,-0.7497051778,0.065163884,0.065163884,GGA,P6_3/m,A9B11_hP40_176_hi_fhi:Mo-Se,40.0,"Invalid WP multiplicities - A9B11_hP40_176_5h6i_3f4h4i:Mo-Se, expected Mo17Se14 to be Mo9Se11" +mp-620032,Ti2Se,-7.4150890303,-0.9861238599,0.0,-0.0157897504,GGA,Pnnm,AB2_oP36_58_3g_6g:Se-Ti,36.0,"Invalid WP multiplicities - AB2_oP36_58_9g_22g:Se-Ti, expected Ti22Se9 to be Ti2Se" +mp-680576,Ti2Se,-7.4101902036,-0.9812250333,0.0048988267,-0.0108909238,GGA,Pnma,AB2_oP36_62_3c_6c:Se-Ti,36.0,"Invalid WP multiplicities - AB2_oP36_62_6c_22c:Se-Ti, expected Ti11Se3 to be Ti2Se" +mp-619905,Ti9Se2,-7.6268754405,-0.5313071582000001,0.0086889508,0.0086889508,GGA,Pbam,A2B9_oP22_55_g_b2g2h:Se-Ti,22.0,"Invalid WP multiplicities - A2B9_oP22_55_g_2b7g7h:Se-Ti, expected Ti15Se to be Ti9Se2" +mp-1181732,Mo3Se4,-6.7130957043,-0.0672962413,0.7793209657,0.7793209657,GGA,P-1,A3B4_aP14_2_3i_4i:Mo-Se,14.0,"Invalid WP multiplicities - A3B4_aP14_2_6i_7i:Mo-Se, expected Mo6Se7 to be Mo3Se4" +mp-21021,Mo3Se4,-7.431545235,-0.7857457721000001,0.060871435,0.060871435,GGA,R-3,A3B4_hR42_148_f_cf:Mo-Se,14.0,A3B4_hR42_148_f_cf:Mo-Se +mp-1217116,Ti3Se,-7.37397264,-0.5783757581,0.1641188917,0.1641188917,GGA,P-6m2,AB3_hP4_187_a_di:Se-Ti,4.0,AB3_hP4_187_a_di:Se-Ti +mp-685942,Ti2(Mo3Se4)5,-7.567403159499999,-0.8540527477000001,0.0271205644,0.0271205644,GGA,P-1,A15B20C2_aP74_2_15i_20i_2i:Mo-Se-Ti,74.0,"Invalid WP multiplicities - A15B20C2_aP74_2_28i_38i_2i:Mo-Se-Ti, expected TiMo14Se19 to be Ti2(Mo3Se4)5" +mp-1077978,Ti3Se4,-6.8145466429,-1.4331006485,0.0503330514,-0.009020265,GGA,C2/m,A4B3_mC14_12_2i_ai:Se-Ti,7.0,A4B3_mC14_12_2i_ai:Se-Ti +mp-9227,Ti3Se4,-6.8648796943,-1.4834336999,0.0,-0.0593533164,GGA,P6_3/m,A4B3_hP14_176_ch_h:Se-Ti,14.0,A4B3_hP14_176_ch_h:Se-Ti +mp-680260,Ti45Se16,-7.5205144587,-0.7790107801,0.0,-0.0030444641,GGA,P1,A16B45_aP61_1_16a_45a:Se-Ti,61.0,"Invalid WP multiplicities - A16B45_mC122_12_15i_a43i:Se-Ti, expected Ti29Se10 to be Ti45Se16" +mp-1364133,Ti45Se16,-7.3429911423,-0.6014874637000001,0.1775233164,0.1744788523,GGA,P-1,A16B45_aP61_2_8i_a22i:Se-Ti,61.0,"Invalid WP multiplicities - A16B45_aP61_2_15i_a43i:Se-Ti, expected Ti29Se10 to be Ti45Se16" +mp-1198191,Ti45Se16,-7.4728085248,-0.7313048462,0.0477059339,0.0446614698,GGA,C2/m,A16B45_mC122_12_8i_a22i:Se-Ti,61.0,A16B45_mC122_12_8i_a22i:Se-Ti +mp-11765,Ti5Se4,-7.2097063078,-1.2695834196,0.0,-0.0411066485,GGA,I4/m,A4B5_tI18_87_h_ah:Se-Ti,9.0,A4B5_tI18_87_h_ah:Se-Ti +mp-1206038,Mo3Se,-8.8021901688,0.2060252832,0.5764203113,0.5764203113,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Se,8.0,A3B_cP8_223_c_a:Mo-Se +mp-1101121,Ti20Se19,-7.0258946677,-1.2737880418,0.0677642221,0.0677642221,GGA,P1,A19B20_aP39_1_19a_20a:Se-Ti,39.0,A19B20_aP39_1_19a_20a:Se-Ti +mp-2194,TiSe2,-6.3887832867,-1.4263449627,0.0,-0.2148022575,GGA,P-3m1,A2B_hP3_164_d_a:Se-Ti,3.0,A2B_hP3_164_d_a:Se-Ti +mp-1216655,TiMo,-9.45668457,-0.0861135067,0.0120537622,0.0120537622,GGA,Cmmm,AB_oC4_65_a_c:Mo-Ti,2.0,AB_oC4_65_a_c:Mo-Ti +mp-998968,TiMo,-8.66984326,0.7007278033000001,0.7988950722,0.7988950722,GGA,Imma,AB_oI8_74_e_e:Mo-Ti,4.0,AB_oI8_74_e_e:Mo-Ti +mp-1017983,TiMo3,-10.25536149,-0.1472509033,0.0,-0.08142021,GGA,Immm,A3B_oI8_71_af_b:Mo-Ti,4.0,A3B_oI8_71_af_b:Mo-Ti +mp-1220719,Nb3In,-8.2105106375,0.053389075,0.053389075,0.053389075,GGA,Cmmm,AB3_oC8_65_b_ck:In-Nb,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:In-Nb, expected Nb5In to be Nb3In" +mp-22060,Nb3In,-8.231625355,0.0322743575,0.0322743575,0.0322743575,GGA,Pm-3n,AB3_cP8_223_a_c:In-Nb,8.0,AB3_cP8_223_a_c:In-Nb +mp-1097662,NbInTc2,-5.1356411675,3.2579254975,3.3226904788,3.3226904788,GGA,Immm,ABC2_oI8_71_a_b_e:In-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:In-Nb-Tc +mp-985564,InTc3,-8.1309341775,0.3274659637,0.3274659637,0.3274659637,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Tc,4.0,AB3_tI8_139_a_bd:In-Tc +mp-981749,TcAg3,-4.120161685,0.5944150537,0.5944150537,0.5944150537,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Tc,4.0,A3B_tI8_139_ad_b:Ag-Tc +mp-568953,LuAg4,-3.401165912,-0.2309310053,0.0,-0.0262694967,GGA,I4/m,A4B_tI10_87_h_a:Ag-Lu,5.0,A4B_tI10_87_h_a:Ag-Lu +mp-1185499,LuAg3,-3.4763044025,-0.22164977,0.0505955513,0.0505955513,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Lu,4.0,A3B_cF16_225_ac_b:Ag-Lu +mp-1018131,LuAg2,-3.73645669,-0.3411025144,0.0,-0.1440804967,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Lu,3.0,A2B_tI6_139_e_a:Ag-Lu +mp-865214,Lu2TcAg,-5.767251695,-0.2084776979,0.0235731881,0.0235731881,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Tc +mp-1095487,LuTc2,-8.691775985,-0.2776998483,0.0,-0.2776998483,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Lu-Tc,12.0,AB2_hP12_194_f_ah:Lu-Tc +mp-983409,Ho2MnOs,-7.4150186725,-0.026468557,0.1877711555,0.1877711555,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Mn-Os,4.0,A2BC_cF16_225_c_a_b:Ho-Mn-Os +mp-1184920,HoOs3,-9.1876028887,0.3785249012,0.6247115369,0.6247115369,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Os,8.0,AB3_hP8_194_c_h:Ho-Os +mp-1101953,HoOs2,-9.3406300908,-0.3282488475,0.0,-0.2060248583,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Os,12.0,AB2_hP12_194_f_ah:Ho-Os +mp-1186060,MnOs3,-10.74277019,-0.0317407945,0.0,-0.0301242846,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Os,8.0,AB3_hP8_194_c_h:Mn-Os +mp-14015,HoMn12,-8.8192456469,-0.0095077719,0.0,-0.0095077719,GGA,I4/mmm,AB12_tI26_139_a_fij:Ho-Mn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Ho-Mn, expected HoMn16 to be HoMn12" +mp-1190011,Ho3Os,-6.5186524856,-0.2750039756,0.0,-0.1519106578,GGA,Pnma,A3B_oP16_62_cd_c:Ho-Os,16.0,A3B_oP16_62_cd_c:Ho-Os +mp-1102759,HoMn2,-7.5292795883,0.1062002297,0.1130669539,0.1130669539,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Mn,12.0,AB2_hP12_194_f_ah:Ho-Mn +mp-2769,HoMn2,-7.51890624,0.116573578,0.1234403022,0.1234403022,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Mn,6.0,AB2_cF24_227_a_d:Ho-Mn +mp-1185935,Mn3Os,-9.6832028563,-0.0048495297,0.0057307351,0.0057307351,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Os,8.0,A3B_hP8_194_h_c:Mn-Os +mp-1212417,Ho4Mn,-4.940108447,0.5582217074,0.5602817247,0.5602817247,GGA,Fd-3m,A4B_cF40_227_e_a:Ho-Mn,10.0,A4B_cF40_227_e_a:Ho-Mn +mp-669648,Ho6Mn23,-8.2063771759,0.0081333392,0.0163023732,0.0163023732,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Ho-Mn,29.0,"Invalid WP multiplicities - A6B23_cF116_225_e_a5d12f:Ho-Mn, expected Ho6Mn127 to be Ho6Mn23" +mp-1071690,Be5Co,-4.4927534,-0.19185638,0.0,-0.0204654658,GGA,F-43m,A5B_cF24_216_ae_c:Be-Co,6.0,A5B_cF24_216_ae_c:Be-Co +mp-2773,BeCo,-5.72974061,-0.30587528,0.0,-0.1344843658,GGA,Pm-3m,AB_cP2_221_a_b:Be-Co,2.0,AB_cP2_221_a_b:Be-Co +mp-1245822,CoPt2,-5.8632733933,0.553588085,0.6180246650000001,0.6180246650000001,GGA,Pa-3,AB2_cP12_205_a_c:Co-Pt,12.0,AB2_cP12_205_a_c:Co-Pt +mp-949,CoPt,-6.6754329850000005,-0.0857074275,0.0,-0.0115263306,GGA,P4/mmm,AB_tP2_123_a_d:Co-Pt,2.0,AB_tP2_123_a_d:Co-Pt +mp-1225998,CoPt,-6.61671907,-0.0269935125,0.058713915,0.0471875844,GGA,R-3m,AB_hR6_166_a_b:Co-Pt,2.0,AB_hR6_166_a_b:Co-Pt +mp-867270,Be2CoPt,-5.756374365,-0.5918051538,0.0,-0.2787933542,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Co-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Co-Pt +mp-1227342,Be2Co,-4.8766214833,-0.0142403083,0.2591090325,0.2591090325,GGA,Fmmm,A2B_oF12_69_g_a:Be-Co,3.0,A2B_oF12_69_g_a:Be-Co +mp-1183423,Be3Co,-4.8353191575,-0.25368006,0.0034063113,-0.033318955,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Co,4.0,A3B_tI8_139_ad_b:Be-Co +mp-1183425,Be3Co,-4.8387254687,-0.2570863712,0.0,-0.0367252663,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-Co,8.0,A3B_hP8_194_h_c:Be-Co +mp-1226450,Co3Pt,-6.80363384,0.0453878363,0.1399488737,0.08824155,GGA,R-3m,A3B_hR12_166_ac_b:Co-Pt,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Co-Pt, expected Co5Pt to be Co3Pt" +mp-1226436,Co3Pt,-6.82309816,0.0259235163,0.1204845537,0.06877723,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Pt,4.0,A3B_hP4_187_ah_b:Co-Pt +mp-865193,Co3Pt,-6.9435827137,-0.0945610375,0.0,-0.0517073238,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Pt,8.0,A3B_hP8_194_h_c:Co-Pt +mp-1226089,CoPt3,-6.359386995,-0.0289575562,0.0248436,0.0138961575,GGA,R-3m,AB3_hR12_166_a_bc:Co-Pt,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Co-Pt, expected CoPt5 to be CoPt3" +mp-922,CoPt3,-6.384230595,-0.0538011562,0.0,-0.0109474425,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Pt,4.0,AB3_cP4_221_a_c:Co-Pt +mp-1104193,Be12Co,-4.0395561646,-0.0409967665,0.0475523319,0.0475523319,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Co,13.0,A12B_tI26_139_fij_a:Be-Co +mp-973866,LuOs3,-9.2911138175,0.259649385,0.5515306456,0.5515306456,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Os,8.0,AB3_hP8_194_c_h:Lu-Os +mp-1025122,LuCu2,-4.5340798383,-0.294291885,0.0,-0.1132194636,GGA,Imma,A2B_oI12_74_h_e:Cu-Lu,6.0,A2B_oI12_74_h_e:Cu-Lu +mp-865830,Lu2CuOs,-6.457188775,-0.36506999,0.0,-0.0322947337,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Os +mp-1189947,Lu3Os,-6.5346833006,-0.3371285531,0.0,-0.1911879228,GGA,Pnma,A3B_oP16_62_cd_c:Lu-Os,16.0,A3B_oP16_62_cd_c:Lu-Os +mp-580136,LuCu5,-4.3727451417,-0.20324783,0.0,-0.0297200928,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Lu,6.0,"Invalid WP multiplicities - A5B_cF24_216_a2e_c:Cu-Lu, expected LuCu9 to be LuCu5" +mp-567590,LuOs2,-9.3810701408,-0.3891750142,0.0,-0.2393401017,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Lu-Os,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Lu-Os, expected LuOs4 to be LuOs2" +mp-1193217,Lu6Cu23,-4.401877761,-0.2154137428,0.0098102384,0.0098102384,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Cu-Lu,29.0,A23B6_cF116_225_ad2f_e:Cu-Lu +mp-862473,Sc2AgRu,-6.6347831975,-0.4418090092,0.0,-0.0240563972,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Ru-Sc +mp-1183261,Ag3Ru,-3.9185834588,0.5244341788,0.5244341788,0.5244341788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Ru,8.0,A3B_hP8_194_h_c:Ag-Ru +mp-16756,Ta3Ga2,-8.603877273,-0.277972286,0.0,-0.0282119998,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ga-Ta,10.0,A2B3_tP10_127_g_ah:Ga-Ta +mp-11416,TaGa3,-5.40458424,-0.1690678156,0.0,-0.0532460298,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Ta,4.0,A3B_tI8_139_ad_b:Ga-Ta +mp-568376,Ta5Ga3,-8.8021710613,-0.2555240341,0.0050749841,0.0050749841,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ga-Ta,16.0,"Invalid WP multiplicities - A3B5_tI32_140_2a3h_2b3k:Ga-Ta, expected Ta7Ga4 to be Ta5Ga3" +mp-1188462,Ta5Ga3,-8.7923276163,-0.2456805891,0.0149184291,0.0149184291,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ga-Ta,16.0,A3B5_tI32_140_ah_cl:Ga-Ta +mp-30668,Ta5Ga3,-8.7124249519,-0.1657779247,0.0948210934,0.0948210934,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Ta,16.0,A3B5_hP16_193_g_dg:Ga-Ta +mp-1190774,Ta6Ga5,-8.0499727482,-0.205686758,0.0553134028,0.0553134028,GGA,P6_3/mmc,A5B6_hP22_194_ach_gh:Ga-Ta,22.0,A5B6_hP22_194_ach_gh:Ga-Ta +mp-867788,TaGaOs2,-9.6394393225,-0.3042871944,0.0,-0.0756081307,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Ga-Os-Ta +mp-570436,CaIr2,-7.0339171567,-0.47309441,0.0,-0.3777373842,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Ir,6.0,AB2_cF24_227_a_d:Ca-Ir +mp-1194887,Ca4As3,-4.3049102721,-1.1620881671,0.0,-0.0619674182,GGA,Pbam,A3B4_oP56_55_e2ghi_fg2h2i:As-Ca,56.0,A3B4_oP56_55_e2ghi_fg2h2i:As-Ca +mp-10106,Ca2As,-3.830073645,-0.93996759,0.0452111144,0.0452111144,GGA,I4/mmm,AB2_tI12_139_e_ce:As-Ca,6.0,AB2_tI12_139_e_ce:As-Ca +mp-31234,Ca4As7Ir8,-6.5012155897,-0.6410207584000001,0.0,-0.0604505542,GGA,P2_1/m,A7B4C8_mP38_11_7e_4e_8e:As-Ca-Ir,38.0,A7B4C8_mP38_11_7e_4e_8e:As-Ca-Ir +mp-1900,CaAs3,-4.5540350637,-0.55829629,0.0,-0.0091428114,GGA,P-1,A3B_aP8_2_3i_i:As-Ca,8.0,A3B_aP8_2_3i_i:As-Ca +mp-540912,As3Ir,-6.133111695,-0.4291643463,0.0,-0.0671372575,GGA,Im-3,A3B_cI32_204_g_c:As-Ir,16.0,A3B_cI32_204_g_c:As-Ir +mp-1188146,CaAs,-4.0649230469,-0.7325639044000001,0.3566164531,0.3114231789,GGA,Pbcn,AB_oP16_60_d_d:As-Ca,16.0,AB_oP16_60_d_d:As-Ca +mp-888,CaAs,-4.4215395,-1.0891803575,0.0,-0.0451932743,GGA,P-62m,AB_hP12_189_eh_fg:As-Ca,12.0,AB_hP12_189_eh_fg:As-Ca +mp-1096854,Ca3As2,-3.837904266,-0.7708969760000001,0.362518058,0.362518058,GGA,Pm-3m,A2B3_cP5_221_ab_c:As-Ca,5.0,A2B3_cP5_221_ab_c:As-Ca +mp-10047,Ca5As3,-4.1089953694,-1.1083260425,0.0,-0.0711807,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Ca,16.0,A3B5_hP16_193_g_dg:As-Ca +mp-570356,Ca5Ir,-3.3827981612,-0.2383925646,0.0,-0.1201189621,GGA,Pnma,A5B_oP24_62_c2d_c:Ca-Ir,24.0,"Invalid WP multiplicities - A5B_oP24_62_4c13d_c:Ca-Ir, expected Ca30Ir to be Ca5Ir" +mp-1214053,Ca4Ir,-3.24080199,0.13136475,0.3854041043,0.3854041043,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Ir,10.0,A4B_cF40_227_e_a:Ca-Ir +mp-31010,Ca2As3,-4.4763565608,-0.8786455658000001,0.0,-0.0018188352,GGA,P2/c,A3B2_mP40_13_6g_ef3g:As-Ca,40.0,A3B2_mP40_13_6g_ef3g:As-Ca +mp-15649,As2Ir,-6.5349264483,-0.482702785,0.0,-0.1012233661,GGA,P2_1/c,A2B_mP12_14_2e_e:As-Ir,12.0,A2B_mP12_14_2e_e:As-Ir +mp-19819,GdIn,-8.89097149,-0.477068505,0.00076771,-0.097226982,GGA,P4/mmm,AB_tP2_123_a_d:Gd-In,2.0,AB_tP2_123_a_d:Gd-In +mp-21005,GdIn,-8.8917392,-0.477836215,0.0,-0.097994692,GGA,Pm-3m,AB_cP2_221_a_b:Gd-In,2.0,AB_cP2_221_a_b:Gd-In +mp-20258,GdIn3,-5.9986798100000005,-0.4158864525,0.0,-0.176968345,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-In,4.0,AB3_cP4_221_a_c:Gd-In +mp-1072518,In2Cu,-3.0647257683,0.136132275,0.1392430731,0.1392430731,GGA,I4/mcm,AB2_tI12_140_c_h:Cu-In,6.0,AB2_tI12_140_c_h:Cu-In +mp-1018730,In2Cu,-3.01702915,0.1838288933,0.1869396914,0.1869396914,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Cu-In,6.0,AB2_hP6_194_c_ad:Cu-In +mp-1213603,GdIn2Cu9,-4.8356923404,-0.1296631962,0.0048048146,0.0048048146,GGA,P4/mbm,A9BC2_tP24_127_cjk_a_g:Cu-Gd-In,24.0,A9BC2_tP24_127_cjk_a_g:Cu-Gd-In +mp-1194708,GdCu6,-5.6685811711,-0.1441008482,0.0033999646,0.0033999646,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Gd,28.0,A6B_oP28_62_4cd_c:Cu-Gd +mp-614489,GdInCu2,-6.5570749575,-0.30052013,0.01439973,0.01439973,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Gd-In,4.0,A2BC_cF16_225_c_a_b:Cu-Gd-In +mp-636253,GdCu5,-5.9341102133,-0.1720842817,0.0,-0.0150216145,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Gd,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Cu-Gd, expected GdCu13 to be GdCu5" +mp-646039,In7Cu10,-3.5432240291,0.0011202538,0.0066098975,0.0066098975,GGA,C2/m,A10B7_mC68_12_eh2i3j_3i2j:Cu-In,34.0,"Invalid WP multiplicities - A10B7_mC68_12_2e2g4i12j_6i8j:Cu-In, expected In11Cu16 to be In7Cu10" +mp-1018053,InCu,-3.36482842,0.06061678,0.0652829771,0.0652829771,GGA,P6_3/mmc,AB_hP4_194_a_c:Cu-In,4.0,AB_hP4_194_a_c:Cu-In +mp-683917,In4Cu9,-3.6677156585,0.0168685685,0.0233294568,0.0233294568,GGA,P-43m,A9B4_cP52_215_3efgi_ei:Cu-In,52.0,"Invalid WP multiplicities - A9B4_cP52_215_12e4f5g11i_4e4i:Cu-In, expected In32Cu117 to be In4Cu9" +mp-638079,Gd2In,-10.6571209733,-0.35581157,0.0105680533,0.0105680533,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Gd-In,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:Gd-In, expected Gd3In to be Gd2In" +mp-1077293,GdInCu4,-5.7980531833,-0.2606144083,0.0,-0.0519153839,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Gd-In,6.0,A4BC_cF24_216_e_a_c:Cu-Gd-In +mp-1188928,In9Cu11,-3.482764347,0.010057,0.0151898169,0.0151898169,GGA,P2/m,A11B9_mP20_10_ace2m2n_h2m2n:Cu-In,20.0,A11B9_mP20_10_ace2m2n_h2m2n:Cu-In +mp-1224313,In9Cu11,-3.472997262,0.019824085,0.0249569019,0.0249569019,GGA,C2/m,A11B9_mC40_12_a5i_d4i:Cu-In,20.0,"Invalid WP multiplicities - A11B9_mC40_12_a9i_d8i:Cu-In, expected In17Cu19 to be In9Cu11" +mp-974023,In3Cu,-2.91213061,0.176433855,0.1787669536,0.1787669536,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cu-In,8.0,AB3_hP8_194_c_h:Cu-In +mp-1184480,In3Cu,-2.8982418425,0.1903226225,0.1926557211,0.1926557211,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-In,4.0,AB3_cP4_221_a_c:Cu-In +mp-1184479,Gd3In,-11.55566394,-0.3106513275,0.0,-0.04379265,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-In,4.0,A3B_cP4_221_c_a:Gd-In +mp-1077933,GdCu2,-7.6726405933,-0.2477954,0.0,-0.0561089967,GGA,Imma,A2B_oI12_74_h_e:Cu-Gd,6.0,A2B_oI12_74_h_e:Cu-Gd +mp-1224410,InCu4,-3.760566018,0.069136064,0.0734911813,0.0734911813,GGA,I4/mmm,A4B_tI10_139_2e_a:Cu-In,,"Invalid WP multiplicities - A4B_tI10_139_3e_a:Cu-In, expected InCu6 to be InCu4" +mp-12118,InCu2,-3.551203265,0.0988290917,0.1050506879,0.1050506879,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Cu-In,6.0,A2B_hP6_194_ac_d:Cu-In +mp-21985,In3Cu7,-3.701482464,-0.006532676,0.0,-0.006532676,GGA,P-1,A7B3_aP40_2_ab13i_6i:Cu-In,40.0,A7B3_aP40_2_ab13i_6i:Cu-In +mp-1184858,InCu3,-3.7430443775,0.0192815575,0.0247254542,0.0247254542,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-In,8.0,A3B_hP8_194_h_c:Cu-In +mp-614455,GdCu,-9.29895298,-0.211288525,0.0,-0.025441975,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Gd,2.0,AB_cP2_221_a_b:Cu-Gd +mp-505692,Np5Ge4,-9.0310171528,0.2168728279,0.3398369885,0.3398369885,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Ge-Np,18.0,A4B5_hP18_193_bg_dg:Ge-Np +mp-542019,Np5Ge3,-9.67811846,0.1478792864,0.2516302969,0.2516302969,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-Np,16.0,A3B5_tI32_140_ah_bk:Ge-Np +mp-20365,NpGe3,-6.9117178325,-0.2075020209,0.0,-0.2075020209,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Np,4.0,A3B_cP4_221_c_a:Ge-Np +mp-310,NpCo2,-9.1302021883,-0.0753970979,0.0,-0.0753970979,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Np,6.0,A2B_cF24_227_c_b:Co-Np +mp-1226096,Co7Ge4,-6.3117555445,-0.1071795459,0.0549789591,0.0549789591,GGA,P-6m2,A7B4_hP11_187_cg2i_abh:Co-Ge,11.0,"Invalid WP multiplicities - A7B4_hP11_187_cg4i_abh:Co-Ge, expected Co11Ge4 to be Co7Ge4" +mp-22732,Co5Ge7,-5.2760552983,0.3825100317,0.5677999381000001,0.5677999381000001,GGA,I4mm,A5B7_tI24_107_ac_abd:Co-Ge,12.0,A5B7_tI24_107_ac_abd:Co-Ge +mp-1102616,Co2Ge,-6.4297641525,-0.1498763375,0.0,-0.004924165,GGA,Pnma,A2B_oP12_62_2c_c:Co-Ge,12.0,A2B_oP12_62_2c_c:Co-Ge +mp-1667,Co2Ge,-6.3775251517,-0.0976373367,0.0522390008,0.0473148358,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Co-Ge,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:Co-Ge, expected Co3Ge to be Co2Ge" +mp-1195194,Np2Co17,-7.7225550666,0.000442927,0.0242525368,0.0242525368,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Np,38.0,A17B2_hP38_194_fgjk_bc:Co-Np +mp-1186362,NpCo3,-8.5452962488,0.0228870178,0.0794348412,0.0794348412,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Np,8.0,A3B_hP8_194_h_c:Co-Np +mp-1186120,NpCo3,-8.563189467499999,0.0049937991,0.0615416225,0.0615416225,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Np,4.0,A3B_cP4_221_c_a:Co-Np +mp-1226445,Co3Ge2,-6.226814184,-0.112612365,0.064284741,0.064284741,GGA,P-6m2,A3B2_hP5_187_ai_bc:Co-Ge,5.0,A3B2_hP5_187_ai_bc:Co-Ge +mp-1182234,CoGe,-5.8555218412,0.0101509838,0.2275792425,0.1616649296,GGA,Cm,AB_mC16_8_4a_4a:Co-Ge,8.0,AB_mC16_8_4a_4a:Co-Ge +mp-21237,CoGe,-6.0831010837,-0.2174282588,0.0,-0.0659143129,GGA,C2/m,AB_mC16_12_aci_2i:Co-Ge,8.0,AB_mC16_12_adi_2i:Co-Ge +mp-1079143,CoGe,-5.4173283875,0.4483444375,0.6657726963,0.5998583833000001,GGA,C2/m,AB_mC16_12_ace_hi:Co-Ge,8.0,AB_mC16_12_ace_gi:Co-Ge +mp-10692,CoGe,-6.07732769,-0.211654865,0.0057733938,-0.0601409192,GGA,P2_13,AB_cP8_198_a_a:Co-Ge,8.0,AB_cP8_198_a_a:Co-Ge +mp-1226058,Co4Ge,-5.864700784,0.7465590230000001,0.8364848255,0.8364848255,GGA,P4/mmm,A4B_tP5_123_2g_a:Co-Ge,5.0,"Invalid WP multiplicities - A4B_tP5_123_3g_a:Co-Ge, expected Co6Ge to be Co4Ge" +mp-1226010,Co4Ge,-6.4745223240000005,0.136737483,0.2266632855,0.2266632855,GGA,R-3m,A4B_hR15_166_2c_a:Co-Ge,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-Ge, expected Co6Ge to be Co4Ge" +mp-22125,Np(CoGe)2,-7.565586172,-0.2834919758,0.0,-0.1095493688,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Np,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Np +mp-30045,CoGe2,-5.6046093892,-0.1531515542,0.0,-0.0081993817,GGA,Cmce,AB2_oC24_64_d_ef:Co-Ge,12.0,AB2_oC24_64_d_ef:Co-Ge +mp-1213423,Eu2As3,-7.8574865198,-0.9592147568,0.0018298378,0.0018298378,GGA,P2/c,A3B2_mP40_13_6g_ef3g:As-Eu,40.0,A3B2_mP40_13_6g_ef3g:As-Eu +mp-570456,Eu(CoAs)2,-7.423970534,-0.6655956940000001,0.0,-0.0778405445,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Eu,5.0,A2B2C_tI10_139_e_d_a:As-Co-Eu +mp-20995,Eu4As3,-9.1081873221,-1.2502784057,0.0,-0.0686599346,GGA,I-43d,A3B4_cI28_220_a_c:As-Eu,14.0,A3B4_cI28_220_a_c:As-Eu +mp-583,CoAs,-6.184033515,-0.300315415,0.0,-0.0559730538,GGA,Pnma,AB_oP8_62_c_c:As-Co,8.0,AB_oP8_62_c_c:As-Co +mp-15679,CoAs,-6.15334189,-0.26962379,0.030691625,-0.0252814288,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Co,4.0,AB_hP4_194_c_a:As-Co +mp-608321,Eu3As4,-8.0726743707,-1.0144630821,0.00859947,0.0035295439,GGA,Cc,A4B3_mC28_9_4a_3a:As-Eu,14.0,"Invalid WP multiplicities - A4B3_oF56_43_6b_ab:As-Eu, expected EuAs4 to be Eu3As4" +mp-1104668,Eu3As4,-8.0812738407,-1.0230625521,0.0,-0.0050699261,GGA,Fdd2,A4B3_oF56_43_2b_ab:As-Eu,14.0,A4B3_oF56_43_2b_ab:As-Eu +mp-22210,Co2As,-6.23882035,0.0530976483,0.253307925,0.253307925,GGA,P-6m2,AB2_hP3_187_a_cf:As-Co,3.0,AB2_hP3_187_a_cf:As-Co +mp-18206,Co2As,-6.4326386211,-0.1407206228,0.0594896539,0.0594896539,GGA,P-62m,AB2_hP36_189_acfk_2f2gjk:As-Co,36.0,AB2_hP36_189_acfk_2f2gjk:As-Co +mp-1079254,Co2As,-6.4209381444,-0.1290201461,0.0711901306,0.0711901306,GGA,P-62m,AB2_hP9_189_ad_fg:As-Co,9.0,AB2_hP9_189_ad_fg:As-Co +mp-452,CoAs3,-5.5762627219,-0.3048444694,0.0,-0.0605021081,GGA,Im-3,A3B_cI32_204_g_c:As-Co,16.0,A3B_cI32_204_g_c:As-Co +mp-1106198,Eu5As4,-8.9689986156,-1.1999449911,0.0313687243,0.0313687243,GGA,Cmce,A4B5_oC36_64_df_ag:As-Eu,18.0,A4B5_oC36_64_df_ag:As-Eu +mp-1106024,Eu5As3,-9.2775619931,-1.1197664663,0.0,-0.0257728612,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Eu,16.0,A3B5_hP16_193_g_dg:As-Eu +mp-2715,CoAs2,-5.8013080167,-0.325789815,0.0,-0.0224550304,GGA,P2_1/c,A2B_mP12_14_2e_e:As-Co,12.0,A2B_mP12_14_2e_e:As-Co +mp-1018672,CoAs2,-5.7826223667,-0.307104165,0.01868565,-0.0037693804,GGA,Pnnm,A2B_oP6_58_g_a:As-Co,6.0,A2B_oP6_58_g_a:As-Co +mp-16316,Co5As2,-6.5113466076,-0.1028000669,0.0688087417,0.0688087417,GGA,P6_3cm,A2B5_hP42_185_abc_ab4c:As-Co,42.0,A2B5_hP42_185_abc_ab4c:As-Co +mp-1101926,EuAs,-8.6229974017,-1.1649372992,0.0,-0.0282668202,GGA,P-62m,AB_hP12_189_eh_fg:As-Eu,12.0,AB_hP12_189_eh_fg:As-Eu +mp-1102993,EuAs,-8.6219442108,-1.1638841083,0.0010531908,-0.0272136294,GGA,P-62m,AB_hP12_189_eh_fg:As-Eu,12.0,AB_hP12_189_eh_fg:As-Eu +mp-2273178,EuAs,-8.6206949125,-1.16263481,0.0023024892,-0.0259643311,GGA,P6_3/mmc,AB_hP4_194_a_c:As-Eu,4.0,AB_hP4_194_a_c:As-Eu +mp-1078702,EuAs3,-6.6860612375,-0.6274719837,0.0079783338,-0.0279627608,GGA,P-1,A3B_aP8_2_3i_i:As-Eu,8.0,A3B_aP8_2_3i_i:As-Eu +mp-1078796,EuAs3,-6.6940395713,-0.6354503175,0.0,-0.0359410945,GGA,C2/m,A3B_mC16_12_ij_i:As-Eu,8.0,A3B_mC16_12_ij_i:As-Eu +mp-982246,PbAu3,-3.355510365,0.0280629025,0.081645635,0.081645635,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Pb,4.0,A3B_cF16_225_ac_b:Au-Pb +mp-1183814,CePbAu2,-4.60826166,-0.5598866037,0.0,-0.0519481317,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Pb,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Pb +mp-1025468,CeAu,-5.2409351938,-0.6374496163000001,0.0049812537,-0.1952413528,GGA,Pnma,AB_oP8_62_c_c:Au-Ce,8.0,AB_oP8_62_c_c:Au-Ce +mp-1018087,CeAu,-5.2459164475,-0.64243087,0.0,-0.2002226065,GGA,Cmcm,AB_oC8_63_c_c:Au-Ce,4.0,AB_oC8_63_c_c:Au-Ce +mp-1183852,Ce3Au,-5.4515773088,-0.1832899425,0.1379254925,0.1379254925,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Ce,8.0,AB3_hP8_194_c_h:Au-Ce +mp-1190478,PbAu2,-3.4878302850000003,-0.0676932617,0.0037503817,-0.0269655308,GGA,Pbcn,A2B_oP24_60_acd_d:Au-Pb,24.0,A2B_oP24_60_acd_d:Au-Pb +mp-19871,PbAu2,-3.4915806667,-0.0714436433,0.0,-0.0307159125,GGA,Fd-3m,A2B_cF24_227_c_b:Au-Pb,6.0,A2B_cF24_227_c_b:Au-Pb +mp-1190312,Ce5Pb3,-5.4323507788,-0.3319274056,0.0,-0.0338025838,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ce-Pb,16.0,A5B3_hP16_193_dg_g:Ce-Pb +mp-1210471,Pb4Au,-3.398417236,0.22647682,0.27647188,0.27647188,GGA,Fd-3m,AB4_cF40_227_a_e:Au-Pb,10.0,AB4_cF40_227_a_e:Au-Pb +mp-1206707,CePb2,-4.5320460333,-0.0792516017,0.2712071378,0.2712071378,GGA,I4/mmm,AB2_tI6_139_a_e:Ce-Pb,3.0,AB2_tI6_139_a_e:Ce-Pb +mp-865572,CeAu3,-4.5227147937000005,-0.584031005,0.0,-0.126072091,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Ce,8.0,A3B_hP8_194_h_c:Au-Ce +mp-30412,Pb3Au,-3.6654496275,-0.062493825,0.0,-0.0014022288,GGA,I-42m,AB3_tI32_121_f_g2i:Au-Pb,16.0,AB3_tI32_121_f_g2i:Au-Pb +mp-1103758,CeAu6,-4.0326682407,-0.3788995043,0.0,-0.0451675014,GGA,C2/c,A6B_mC28_15_3f_e:Au-Ce,14.0,A6B_mC28_15_3f_e:Au-Ce +mp-1102362,Ce2Au,-5.3943465392,-0.3476597692,0.0806274775,0.0806274775,GGA,Pnma,AB2_oP12_62_c_2c:Au-Ce,12.0,AB2_oP12_62_c_2c:Au-Ce +mp-20225,CePb3,-4.6235109975,-0.3557534062,0.0,-0.222982444,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Pb,4.0,AB3_cP4_221_a_c:Ce-Pb +mp-22795,Pb2Au,-3.6478475083,-0.0814554617,0.0,-0.017171673,GGA,I4/mcm,AB2_tI12_140_a_h:Au-Pb,6.0,AB2_tI12_140_a_h:Au-Pb +mp-1018661,CePbAu,-4.8048898867,-0.4983504783,0.0210064817,0.0210064817,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ce-Pb,6.0,ABC_hP6_194_c_a_d:Au-Ce-Pb +mp-570018,Ce3Pb,-5.6568939275,-0.2789152937,0.0,-0.0576303567,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Pb,4.0,A3B_cP4_221_c_a:Ce-Pb +mp-1207654,Zr54Os17,-9.4428850425,-0.253574052,0.0093907793,0.0093907793,GGA,Immm,A17B54_oI142_71_afhlmn_egi2l2m2n3o:Os-Zr,71.0,A17B54_oI142_71_afhlmn_egi2l2m2n3o:Os-Zr +mp-1017542,ZrOs3,-10.563728795,-0.006278065,0.2845717263,0.2845717263,GGA,Pm-3m,A3B_cP4_221_c_a:Os-Zr,4.0,A3B_cP4_221_c_a:Os-Zr +mp-1193087,Zr11Os4,-9.555149079,-0.2928706357,0.0,-0.009813857,GGA,Fm-3m,A4B11_cF120_225_abd_e2f:Os-Zr,30.0,A4B11_cF120_225_abd_e2f:Os-Zr +mp-864897,Zr2CuOs,-8.4470684875,-0.3415746475,0.0,-0.0012387954,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Os-Zr,4.0,ABC2_cF16_225_a_b_c:Cu-Os-Zr +mp-11541,ZrOs,-10.41826549,-0.53073146,0.0,-0.1824855242,GGA,Pm-3m,AB_cP2_221_a_b:Os-Zr,2.0,AB_cP2_221_a_b:Os-Zr +mp-570684,ZrOs2,-10.721944885,-0.3877997217,0.0,-0.0339787483,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Zr,12.0,A2B_hP12_194_ah_f:Os-Zr +mp-1222405,LiCd3,-1.271204275,-0.1018062383,0.0625232775,0.0236403737,GGA,P-6m2,A3B_hP4_187_ah_b:Cd-Li,4.0,A3B_hP4_187_ah_b:Cd-Li +mp-865612,LiCd3,-1.3331152825,-0.1637172458,0.00061227,-0.0382706338,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Li,8.0,A3B_hP8_194_h_c:Cd-Li +mp-973940,LiCd3,-1.3337275525,-0.1643295158,0.0,-0.0388829038,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Li,4.0,A3B_cF16_225_ac_b:Cd-Li +mp-1183657,CdBi3,-3.0404136575,0.07067563,0.07067563,0.07067563,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Cd,4.0,A3B_tI8_139_ad_b:Bi-Cd +mp-1183629,CdBi3,-3.0225979775,0.08849131,0.08849131,0.08849131,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Cd,4.0,A3B_cP4_221_c_a:Bi-Cd +mp-975904,Li3Cd,-1.8362969175,-0.1738823275,0.00711394,-0.0484357154,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Li,4.0,AB3_tI8_139_a_bd:Cd-Li +mp-1222495,Li3Cd,-1.737699505,-0.075284915,0.1057113525,0.0501616971,GGA,R-3m,AB3_hR12_166_a_bc:Cd-Li,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cd-Li, expected Li5Cd to be Li3Cd" +mp-867343,Li3Cd,-1.8434108575,-0.1809962675,0.0,-0.0555496554,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Li,4.0,AB3_cF16_225_a_bc:Cd-Li +mp-1183658,Cd3Bi,-1.5915911575,0.060698445,0.060698445,0.060698445,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Cd,4.0,AB3_tI8_139_a_bd:Bi-Cd +mp-1437,LiCd,-1.6667995375,-0.2508932242,0.0,-0.0782303325,GGA,Fd-3m,AB_cF16_227_a_b:Cd-Li,4.0,AB_cF16_227_a_b:Cd-Li +mp-1210799,Li2Cd,-1.5976270283,-0.0173818639,0.1869133892,0.1869133892,GGA,Fd-3m,AB2_cF48_227_c_e:Cd-Li,12.0,AB2_cF48_227_c_e:Cd-Li +mp-2646976,Li3Bi,-2.9229004287,-0.5310859962,0.0108224488,-0.3318870679,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Bi-Li,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Bi-Li, expected Li5Bi to be Li3Bi" +mp-23222,Li3Bi,-2.9337228775,-0.541908445,0.0,-0.3427095167,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Li,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Bi-Li, expected Li5Bi to be Li3Bi" +mp-22902,LiBi,-3.273103855,-0.3983978567,0.0,-0.03712556,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Li,2.0,AB_tP2_123_a_d:Bi-Li +mp-1095979,Li2CdBi,-1.3738977,0.7714084558000001,1.1419621425,1.1419621425,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cd-Li,4.0,ABC2_oI8_71_a_b_e:Bi-Cd-Li +mp-1184983,Li2CdBi,-2.51080527,-0.3654991142,0.0050545725,0.0050545725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Cd-Li,4.0,ABC2_cF16_225_a_b_c:Bi-Cd-Li +mp-569451,Sb2Pd5,-5.3344950943,-0.4548648757,0.002063115,0.002063115,GGA,P6_3cm,A5B2_hP42_185_ab4c_abc:Pd-Sb,42.0,"Invalid WP multiplicities - A5B2_hP42_185_2a4b20c_a3b3c:Pd-Sb, expected Sb8Pd35 to be Sb2Pd5" +mp-1356,Sb2Pd,-4.9585792833,-0.47928452,0.0,-0.1209071467,GGA,Pa-3,AB2_cP12_205_a_c:Pd-Sb,12.0,AB2_cP12_205_a_c:Pd-Sb +mp-680057,Sb3Pd8,-5.3449954682,-0.45171745,0.000323385,-0.0025044475,GGA,R3,A8B3_hR132_146_8a8b_6a2b:Pd-Sb,44.0,"Invalid WP multiplicities - A8B3_hR132_146_8a23b_6a5b:Pd-Sb, expected Sb3Pd11 to be Sb3Pd8" +mp-669525,Sb3Pd8,-5.1904843495,-0.2972063314,0.1548345036,0.1520066712,GGA,R3c,A8B3_hR132_161_4a4b_3ab:Pd-Sb,44.0,A8B3_hR132_161_4a4b_3ab:Pd-Sb +mp-1198995,Sb3Pd8,-5.3453188532,-0.452040835,0.0,-0.0028278325,GGA,R-3c,A8B3_hR132_167_2c2f_bce:Pd-Sb,44.0,"Invalid WP multiplicities - A8B3_hR132_167_4c3f_b2ce:Pd-Sb, expected Sb4Pd13 to be Sb3Pd8" +mp-542106,SbPd2,-5.27325047,-0.4436621833,0.0311853783,0.0311853783,GGA,Cmc2_1,A2B_oC24_36_4a_2a:Pd-Sb,12.0,A2B_oC24_36_4a_2a:Pd-Sb +mp-1186930,SbPd3,-5.28531247,-0.3681508025,0.0593670054,0.0593670054,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pd-Sb,8.0,A3B_hP8_194_h_c:Pd-Sb +mp-1186928,SbPd3,-5.2849254125,-0.367763745,0.0597540629,0.0597540629,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Sb,4.0,A3B_cP4_221_c_a:Pd-Sb +mp-973402,SbPd3,-5.28734384,-0.3701821725,0.0573356354,0.0573356354,GGA,Fm-3m,A3B_cF16_225_ac_b:Pd-Sb,4.0,A3B_cF16_225_ac_b:Pd-Sb +mp-1769,SbPd,-5.192007585,-0.53756606,0.0,-0.0689651344,GGA,P6_3/mmc,AB_hP4_194_a_c:Pd-Sb,4.0,AB_hP4_194_a_c:Pd-Sb +mp-30066,Sb7Pd20,-5.3507830926,-0.4433518007,0.0,-0.0136339699,GGA,R-3,A20B7_hR81_148_c3f_af:Pd-Sb,27.0,A20B7_hR81_148_c3f_af:Pd-Sb +mp-22077,Gd3Pd2,-11.217300943,-0.699674875,0.005873887,0.005873887,GGA,P4/mbm,A3B2_tP10_127_ah_g:Gd-Pd,10.0,A3B2_tP10_127_ah_g:Gd-Pd +mp-21427,GdPd3,-8.270934735,-0.8669928175,0.0,-0.4260248413,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Pd,4.0,AB3_cP4_221_a_c:Gd-Pd +mp-11427,GdPd,-10.5099379775,-0.8819359525,0.0,-0.1344559511,GGA,Cmcm,AB_oC8_63_c_c:Gd-Pd,4.0,AB_oC8_63_c_c:Gd-Pd +mp-21061,GdSbPd,-8.8830351483,-1.088033385,0.0,-0.0801009958,GGA,P6_3mc,ABC_hP6_186_a_b_b:Gd-Pd-Sb,6.0,ABC_hP6_186_a_b_b:Gd-Pd-Sb +mp-1404,CdAu,-2.2735289325,-0.1751430525,0.0,-0.0207390546,GGA,Pmma,AB_oP4_51_e_f:Au-Cd,4.0,AB_oP4_51_e_f:Au-Cd +mp-16886,CdAu,-2.2587061894,-0.1603203094,0.0148227431,-0.0059163115,GGA,P31m,AB_hP18_157_ab2c_ab2c:Au-Cd,18.0,AB_hP18_157_a2b2c_a2b2c:Au-Cd +mp-1226718,CdAu,-2.217177245,-0.118791365,0.0563516875,0.0356126329,GGA,P-6m2,AB_hP2_187_a_d:Au-Cd,2.0,AB_hP2_187_a_d:Au-Cd +mp-2757,CdAu,-2.269598485,-0.171212605,0.0039304475,-0.0168086071,GGA,Pm-3m,AB_cP2_221_a_b:Au-Cd,2.0,AB_cP2_221_a_b:Au-Cd +mp-1226978,Cd3Au8,-2.6042270791,0.0284752191,0.1627063557,0.1627063557,GGA,P3m1,A8B3_hP11_156_2a6b_3a:Au-Cd,11.0,A8B3_hP11_156_2a6b_3a:Au-Cd +mp-622107,CeCd2,-2.4177662133,0.1751900117,0.4304717233,0.3724482528,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Ce,3.0,A2B_hP3_164_d_a:Cd-Ce +mp-866189,CeCd2,-2.8482379367,-0.2552817117,0.0,-0.0580234706,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Ce,3.0,A2B_hP3_191_c_b:Cd-Ce +mp-30371,Cd5Au3,-1.9710478744,-0.1665360244,0.0,-0.0133267031,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Au-Cd,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_b2k:Au-Cd, expected Cd3Au to be Cd5Au3" +mp-1183748,Ce3Cd,-4.7055396325,-0.0250003262,0.0707303156,0.0707303156,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Ce,4.0,AB3_tI8_139_a_bd:Cd-Ce +mp-1215055,Ce2Cd17,-1.5355167995,-0.0852376295,0.0457252602,0.0457252602,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Cd-Ce,38.0,A17B2_hP38_194_fgjk_bc:Cd-Ce +mp-1193415,Cd8Au5,-1.9749195642,-0.1478020196,0.0193960838,0.0193960838,GGA,I-43m,A5B8_cI52_217_ce_cg:Au-Cd,26.0,A5B8_cI52_217_ce_cg:Au-Cd +mp-866185,CeCdAu2,-3.93121559,-0.5802798612,0.0,-0.0774504203,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Ce,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Ce +mp-1183643,CdAu3,-2.81074981,-0.12461587,0.005524075,-0.0370443437,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Cd,4.0,A3B_tI8_139_ad_b:Au-Cd +mp-865144,CdAu3,-2.8114419987,-0.1253080587,0.0048318863,-0.0377365325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Cd,8.0,A3B_hP8_194_h_c:Au-Cd +mp-1264,CdAu3,-2.816273885,-0.130139945,0.0,-0.0425684188,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Cd,4.0,A3B_cP4_221_c_a:Au-Cd +mp-2863,CeCd3,-2.39735513,-0.2219155212,0.0,-0.0126669842,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Ce,4.0,A3B_cF16_225_ac_b:Cd-Ce +mp-640089,CeCd11,-1.4575885642,-0.1171821879,0.0,-0.0432103475,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Ce,36.0,"Invalid WP multiplicities - A11B_cP36_221_a6g8i6j_c:Cd-Ce, expected Ce3Cd217 to be CeCd11" +mp-1226953,Cd3Au,-1.509240465,0.001397355,0.132672945,0.1124213712,GGA,Cmmm,AB3_oC8_65_b_ck:Au-Cd,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Au-Cd, expected Cd5Au to be Cd3Au" +mp-30370,Cd3Au,-1.64191341,-0.13127559,0.0,-0.0202515737,GGA,P6_3cm,AB3_hP24_185_c_ab2c:Au-Cd,24.0,AB3_hP24_185_c_ab2c:Au-Cd +mp-11291,CeCd,-3.54625865,-0.1182691925,0.0731920912,0.0731920912,GGA,P4/mmm,AB_tP2_123_a_d:Cd-Ce,2.0,AB_tP2_123_a_d:Cd-Ce +mp-183,CeCd,-3.537400725,-0.1094112675,0.0820500162,0.0820500162,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Ce,2.0,AB_cP2_221_a_b:Cd-Ce +mp-11082,CeCdAu,-3.9220994656,-0.5454791606,0.0,-0.0597206806,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Ce,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Ce +mp-17094,Ge3Mo5,-8.6259521294,-0.113785365,0.0409530969,0.0409530969,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-Mo,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_b2k:Ge-Mo, expected GeMo3 to be Ge3Mo5" +mp-1188813,Ge3Mo5,-8.5253943637,-0.0132275994,0.1415108625,0.1415108625,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Mo,16.0,A3B5_hP16_193_g_dg:Ge-Mo +mp-9970,ScGe,-6.3055438075,-0.8277953275000001,0.0,-0.0372649627,GGA,Cmcm,AB_oC8_63_c_c:Ge-Sc,4.0,AB_oC8_63_c_c:Ge-Sc +mp-1009753,ScGe,-5.22599562,0.25175286,1.0795481875,1.0422832248,GGA,F-43m,AB_cF8_216_a_c:Ge-Sc,2.0,AB_cF8_216_a_c:Ge-Sc +mp-1196279,Sc11Ge10,-6.3401664102,-0.8217169481000001,0.0129707093,0.0129707093,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Sc,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Sc +mp-569901,Ge23Mo13,-6.9979508651,-0.1278649736,0.0372481599,0.0372481599,GGA,P-4n2,A23B13_tP144_118_f11i_ac6e6h:Ge-Mo,144.0,"Invalid WP multiplicities - A23B13_tP144_118_4f82i_2a2c24e22h:Ge-Mo, expected Ge7Mo2 to be Ge23Mo13" +mp-1209981,Sc3(Ge2Mo)2,-6.9403985717,-0.3647520211,0.2783198333,0.2783198333,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Mo-Sc,36.0,A4B2C3_oP36_62_2cd_d_cd:Ge-Mo-Sc +mp-17190,Sc5Ge3,-6.5348704094,-0.8434417731,0.0,-0.1314201911,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Sc,16.0,A3B5_hP16_193_g_dg:Ge-Sc +mp-10212,ScGe2,-5.7650658867,-0.5722242817000001,0.0,-0.02036073,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Sc,6.0,A2B_oC12_63_2c_c:Ge-Sc +mp-13688,Ge2Mo,-6.8634404775,-0.1662052042,0.0,-0.0481759978,GGA,Pnma,A2B_oP12_62_2c_c:Ge-Mo,12.0,A2B_oP12_62_2c_c:Ge-Mo +mp-10201,Ge2Mo,-6.84314288,-0.1459076067,0.0202975975,-0.0278784003,GGA,I4/mmm,A2B_tI6_139_e_a:Ge-Mo,3.0,A2B_tI6_139_e_a:Ge-Mo +mp-1184671,Ge3Mo,-5.752409185,0.4262742337,0.5509281369,0.5509281369,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Mo,4.0,A3B_tI8_139_ad_b:Ge-Mo +mp-1198803,Sc5Ge4,-6.4165948689,-0.8438774306,0.0,-0.0091281272,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Sc,36.0,A4B5_oP36_62_2cd_c2d:Ge-Sc +mp-1199518,Sc2Ge4Mo3,-7.6197801731,-0.5426690664,0.0,-0.0882481844,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Mo-Sc,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Mo-Sc +mp-494,GeMo3,-9.43981869,-0.1498241437,0.0,-0.0739672338,GGA,Pm-3n,AB3_cP8_223_a_c:Ge-Mo,8.0,AB3_cP8_223_a_c:Ge-Mo +mp-22460,LiIn,-2.5852343075,-0.2549310092,0.0,-0.000192477,GGA,Fd-3m,AB_cF16_227_a_b:In-Li,4.0,AB_cF16_227_a_b:In-Li +mp-510430,Li13In3,-2.2729972525,-0.206056724,0.0,-0.0257305452,GGA,Fd-3m,A3B13_cF128_227_ad_bcef:In-Li,32.0,A3B13_cF128_227_ad_bcef:In-Li +mp-1210993,LiIn2,-2.503855475,-0.0330920328,0.1396395125,0.1396395125,GGA,Fd-3m,A2B_cF48_227_e_c:In-Li,12.0,A2B_cF48_227_e_c:In-Li +mp-21293,Li3In2,-2.54015774,-0.294130528,0.0,-0.009855978,GGA,R-3m,A2B3_hR15_166_c_ac:In-Li,5.0,A2B3_hR15_166_c_ac:In-Li +mp-976055,Li3In,-2.3509014,-0.2312883175,0.0096910979,0.0096910979,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Li,4.0,AB3_tI8_139_a_bd:In-Li +mp-867226,Li3In,-2.3600479875,-0.240434905,0.0005445104,0.0005445104,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Li,4.0,AB3_cF16_225_a_bc:In-Li +mp-1079408,Li5In4,-2.5655788311,-0.2820955807,0.0,-0.0053870611,GGA,P-3m1,A4B5_hP9_164_cd_a2d:In-Li,9.0,A4B5_hP9_164_cd_a2d:In-Li +mp-1185287,LiAc3,-3.401310995,0.1668009773,0.1668009773,0.1668009773,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Li,4.0,A3B_cP4_221_c_a:Ac-Li +mp-985305,Ac3In,-3.9389481925,-0.1601460044,0.0,-0.0243173496,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-In,8.0,A3B_hP8_194_h_c:Ac-In +mp-973748,LiIn3,-2.6640074775,-0.1230139633,0.00861785,0.0044515412,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Li,4.0,A3B_tI8_139_ad_b:In-Li +mp-863027,LiIn3,-2.6726253275,-0.1316318133,0.0,-0.0041663087,GGA,Pm-3m,A3B_cP4_221_c_a:In-Li,4.0,A3B_cP4_221_c_a:In-Li +mp-976407,Li3Ac,-2.281359325,0.1806265769,0.1806265769,0.1806265769,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Li,4.0,AB3_tI8_139_a_bd:Ac-Li +mp-865897,Li2AcIn,-2.9229604475,-0.2502843298,0.0,-0.0346270769,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-In-Li,4.0,ABC2_cF16_225_a_b_c:Ac-In-Li +mp-867297,AcIn3,-3.5015425138,-0.4074859644,0.0,-0.3541039629,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-In,8.0,AB3_hP8_194_c_h:Ac-In +mp-31324,Li2In,-2.4773861583,-0.2875430039,0.0,-0.0172771972,GGA,Cmcm,AB2_oC12_63_c_2c:In-Li,6.0,AB2_oC12_63_c_2c:In-Li +mp-1185667,Na3Ge,-2.14647048,0.0011804538,0.0785210647,0.0785210647,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Na,4.0,AB3_cF16_225_a_bc:Ge-Na +mp-1095396,NaGe2Pd3,-4.8518429467,-0.5004718744000001,0.0,-0.0705905262,GGA,Imma,A2BC3_oI24_74_h_e_cf:Ge-Na-Pd,,A2BC3_oI24_74_h_e_cf:Ge-Na-Pd +mp-29657,NaGe,-3.1274577959,-0.1546812217,0.0,-0.1546812217,GGA,P2_1/c,AB_mP32_14_4e_4e:Ge-Na,32.0,AB_mP32_14_4e_4e:Ge-Na +mp-2042,HoNi3,-5.9062065883,-0.4255018608,0.0,-0.0089750704,GGA,R-3m,AB3_hR36_166_ac_bch:Ho-Ni,12.0,"Invalid WP multiplicities - AB3_hR36_166_ac_bc2h:Ho-Ni, expected HoNi5 to be HoNi3" +mp-2759,Ho6Fe23,-7.7249883459,-0.0593007234,0.0104447276,0.0104447276,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Ho,29.0,A23B6_cF116_225_ad2f_e:Fe-Ho +mp-1212334,Ho4Ni,-4.578364547,0.243589885,0.448722255,0.448722255,GGA,Fd-3m,A4B_cF40_227_e_a:Ho-Ni,10.0,A4B_cF40_227_e_a:Ho-Ni +mp-1196975,Ho2Fe17,-8.0753799145,-0.0145810561,0.0209034717,0.0209034717,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Ho,38.0,A17B2_hP38_194_fgjk_bc:Fe-Ho +mp-1223954,HoFeNi,-6.5001008117,-0.2225785583,0.0895876933,0.0895876933,GGA,Imma,ABC_oI12_74_a_e_c:Fe-Ho-Ni,6.0,ABC_oI12_74_a_e_c:Fe-Ho-Ni +mp-1072076,FeNi2,-6.573167735,0.1035971217,0.1858444767,0.1858444767,GGA,Fd-3m,AB2_cF24_227_a_d:Fe-Ni,6.0,AB2_cF24_227_a_d:Fe-Ni +mp-1224697,Fe2Ni,-7.5288791167,0.0445139167,0.0893294867,0.0893294867,GGA,P-3m1,A2B_hP3_164_d_a:Fe-Ni,3.0,A2B_hP3_164_d_a:Fe-Ni +mp-1077745,Fe2Ni,-7.3948328433,0.17856019,0.22337576,0.22337576,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Ni,6.0,A2B_cF24_227_c_b:Fe-Ni +mp-1198423,Ho3Fe29,-8.1012308559,0.0043266972,0.0359301047,0.0359301047,GGA,C2/m,A29B3_mC64_12_ceg4i4j_bi:Fe-Ho,32.0,A29B3_mC64_12_aeh4i4j_ci:Fe-Ho +mp-30634,HoFe3,-7.5823938783,-0.0842757533,0.0,-0.0074838592,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Ho,12.0,A3B_hR36_166_ach_bc:Fe-Ho +mp-1080523,Ho3Ni2,-5.439923532,-0.378423538,0.0050922735,0.0050922735,GGA,C2/m,A3B2_mC20_12_3i_2i:Ho-Ni,10.0,A3B2_mC20_12_3i_2i:Ho-Ni +mp-1104814,Ho3Ni2,-5.4268281607,-0.3653281667,0.0181876448,0.0181876448,GGA,R-3,A3B2_hR45_148_acf_f:Ho-Ni,15.0,A3B2_hR45_148_acf_f:Ho-Ni +mp-1190300,Ho2Ni7,-5.9145373161,-0.4005623717,0.0,-0.0058664472,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Ho-Ni,18.0,A2B7_hR54_166_2c_a2cdh:Ho-Ni +mp-1079337,FeNi3,-6.526046935,-0.0734391225,0.0163202325,-0.039827445,GGA,Pmmn,AB3_oP8_59_a_be:Fe-Ni,8.0,AB3_oP8_59_a_be:Fe-Ni +mp-1007855,FeNi3,-6.525334645,-0.0727268325,0.0170325225,-0.039115155,GGA,I4/mmm,AB3_tI8_139_a_bd:Fe-Ni,4.0,AB3_tI8_139_a_bd:Fe-Ni +mp-1225078,FeNi3,-6.4636662075,-0.011058395,0.07870096,0.0225532825,GGA,R-3m,AB3_hR12_166_a_bc:Fe-Ni,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Fe-Ni, expected FeNi5 to be FeNi3" +mp-1418,FeNi3,-6.5423671675,-0.089759355,0.0,-0.0561476775,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Ni,4.0,AB3_cP4_221_a_c:Fe-Ni +mp-1007854,FeNi3,-6.43395344,0.0186543725,0.1084137275,0.05226605,GGA,Fm-3m,AB3_cF16_225_a_bc:Fe-Ni,4.0,AB3_cF16_225_a_bc:Fe-Ni +mp-1224965,FeNi,-7.109070335,0.01600861,0.083231965,0.07584818,GGA,Cmmm,AB_oC4_65_a_c:Fe-Ni,2.0,AB_oC4_65_a_c:Fe-Ni +mp-2213,FeNi,-7.1923023,-0.067223355,0.0,-0.007383785,GGA,P4/mmm,AB_tP2_123_a_d:Fe-Ni,2.0,AB_tP2_123_a_d:Fe-Ni +mp-1224976,FeNi,-7.123654945,0.001424,0.068647355,0.06126357,GGA,R-3m,AB_hR6_166_a_b:Fe-Ni,2.0,AB_hR6_166_a_b:Fe-Ni +mp-1202187,Ho2Ni17,-5.8592675758,-0.2052075074,0.0051613674,0.0051613674,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ho-Ni,38.0,A2B17_hP38_194_bc_fgjk:Ho-Ni +mp-1224780,Fe3Ni,-7.7915643575,0.00598572,0.0395973975,0.0395973975,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-Ni,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-Ni, expected Fe5Ni to be Fe3Ni" +mp-1007862,Fe3Ni,-7.7547857175,0.04276436,0.0763760375,0.0763760375,GGA,I4/mmm,A3B_tI8_139_ad_b:Fe-Ni,4.0,A3B_tI8_139_ad_b:Fe-Ni +mp-1224827,Fe3Ni,-7.710788995,0.0867610825,0.12037276,0.12037276,GGA,R-3m,A3B_hR12_166_ac_b:Fe-Ni,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Fe-Ni, expected Fe5Ni to be Fe3Ni" +mp-999189,Fe3Ni,-7.7535256625,0.044024415,0.0776360925,0.0776360925,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Ni,4.0,A3B_cP4_221_c_a:Fe-Ni +mp-1007853,Fe3Ni,-7.772057205,0.0254928725,0.05910455,0.05910455,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Ni,4.0,A3B_cF16_225_ac_b:Fe-Ni +mp-1223882,HoFeNi4,-6.28566543,-0.2568359633,0.0547897079,0.0547897079,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Fe-Ho-Ni,6.0,ABC4_hP6_187_a_c_ek:Fe-Ho-Ni +mp-1225009,Fe3Ni2,-7.426228187,-0.032160789,0.021617895,0.021617895,GGA,P4/mmm,A3B2_tP10_123_ad2g_2h:Fe-Ni,10.0,"Invalid WP multiplicities - A3B2_tP10_123_ad3g_3h:Fe-Ni, expected Fe4Ni3 to be Fe3Ni2" +mp-1213581,Ho4Fe,-4.934654571,0.425276767,0.4551846185,0.4551846185,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Ho,10.0,AB4_cF40_227_a_e:Fe-Ho +mp-673,HoNi2,-5.8453141233,-0.4644200467,0.0,-0.0246690136,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Ni,6.0,AB2_cF24_227_a_d:Ho-Ni +mp-11871,HoNi,-5.6495221525,-0.4682493775,0.0,-0.0575771488,GGA,Pnma,AB_oP8_62_c_c:Ho-Ni,8.0,AB_oP8_62_c_c:Ho-Ni +mp-1553,HoNi5,-5.91359943,-0.3330840517,0.0,-0.0253152405,GGA,P6/mmm,AB5_hP6_191_a_cg:Ho-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ho-Ni, expected HoNi8 to be HoNi5" +mp-2812,HoFe5,-7.87597677,-0.05389095,0.0022928856,0.0022928856,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Ho,6.0,A5B_hP6_191_cg_a:Fe-Ho +mp-1102099,HoFe2,-7.2518638658,-0.0777134358,0.0219794025,-0.0028016551,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Ho,12.0,A2B_hP12_194_ah_f:Fe-Ho +mp-1926,HoFe2,-7.2738432683,-0.0996928383,0.0,-0.0247810576,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Ho,6.0,A2B_cF24_227_c_b:Fe-Ho +mp-1189188,Ho3Ni,-5.138256285,-0.2564154625,0.0,-0.0199007513,GGA,Pnma,A3B_oP16_62_cd_c:Ho-Ni,16.0,A3B_oP16_62_cd_c:Ho-Ni +mp-11488,LaTl,-4.071675205,-0.4223500792,0.0,-0.0393862566,GGA,Pm-3m,AB_cP2_221_a_b:La-Tl,2.0,AB_cP2_221_a_b:La-Tl +mp-865102,NaLaTl2,-3.0511202675,-0.3051655946,1.12573e-05,1.12573e-05,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Na-Tl,4.0,ABC2_cF16_225_a_b_c:La-Na-Tl +mp-1185103,La3Tl,-4.510832605,-0.2181664896,0.0221294475,0.0153029767,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Tl,4.0,A3B_tI8_139_ad_b:La-Tl +mp-371,La3Tl,-4.5329620525,-0.2402959371,0.0,-0.0068264708,GGA,Pm-3m,A3B_cP4_221_c_a:La-Tl,4.0,A3B_cP4_221_c_a:La-Tl +mp-1186189,NaTl3,-2.1831125125,-0.0804988291,0.0,-0.0241598479,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Tl,4.0,AB3_tI8_139_a_bd:Na-Tl +mp-1186197,NaTl3,-2.1673076675,-0.0646939841,0.015804845,-0.0083550029,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Tl,8.0,AB3_hP8_194_c_h:Na-Tl +mp-1078955,NaTl,-1.92812686,-0.0855426399,0.0271353225,0.0139238227,GGA,Cmcm,AB_oC16_63_g_ac:Na-Tl,8.0,AB_oC16_63_g_ac:Na-Tl +mp-1192187,NaTl,-1.9375110796,-0.0949268595,0.0177511029,0.0045396032,GGA,Cmce,AB_oC48_64_def_fg:Na-Tl,24.0,AB_oC48_64_def_fg:Na-Tl +mp-1079298,NaTl,-1.8929759938,-0.0503917737,0.0622861888,0.049074689,GGA,P6_3/mmc,AB_hP8_194_f_bc:Na-Tl,8.0,AB_hP8_194_f_bc:Na-Tl +mp-1564,NaTl,-1.9552621825,-0.1126779624,0.0,-0.0132114998,GGA,Fd-3m,AB_cF16_227_a_b:Na-Tl,4.0,AB_cF16_227_a_b:Na-Tl +mp-975994,NaLa3,-3.7972183525,0.2354182996,0.2354182996,0.2354182996,GGA,Pm-3m,A3B_cP4_221_c_a:La-Na,4.0,A3B_cP4_221_c_a:La-Na +mp-1189767,La5Tl3,-4.32119982,-0.3502041994,0.0,-0.0188811912,GGA,I4/mcm,A5B3_tI32_140_bk_ah:La-Tl,16.0,A5B3_tI32_140_bk_ah:La-Tl +mp-977403,Na3Tl,-1.64923151,-0.0666767532,0.0174069105,0.0174069105,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Tl,4.0,A3B_tI8_139_ad_b:Na-Tl +mp-1186088,Na3Tl,-1.6575906025,-0.0750358457,0.009047818,0.009047818,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Tl,8.0,A3B_hP8_194_h_c:Na-Tl +mp-982773,Na3Tl,-1.6544265825000002,-0.0718718257,0.012211838,0.012211838,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Tl,4.0,A3B_cP4_221_c_a:Na-Tl +mp-982873,Na3Tl,-1.660657995,-0.0781032382,0.0059804255,0.0059804255,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Tl,4.0,A3B_cF16_225_ac_b:Na-Tl +mp-30795,Na2Tl,-1.7813427962,-0.1121115517,0.0,-0.0224834054,GGA,C222_1,A2B_oC48_20_ab3c_2c:Na-Tl,24.0,A2B_oC48_20_ab3c_2c:Na-Tl +mp-1210089,NaTl2,-1.9990357908,0.0169014048,0.1081266117,0.1081266117,GGA,Fd-3m,AB2_cF48_227_c_e:Na-Tl,12.0,AB2_cF48_227_c_e:Na-Tl +mp-1186146,NaLa,-2.95042134,0.1788448592,0.1788448592,0.1788448592,GGA,P-6m2,AB_hP2_187_a_d:La-Na,2.0,AB_hP2_187_a_d:La-Na +mp-1221203,Na3Tl4,-1.9955796871,-0.0787013347,0.0247825896,0.0247825896,GGA,R3m,A3B4_hR21_160_3a_4a:Na-Tl,7.0,A3B4_hR21_160_3a_4a:Na-Tl +mp-1186114,Na3La,-1.9357304075,0.2901653388,0.2901653388,0.2901653388,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Na,8.0,AB3_hP8_194_c_h:La-Na +mp-1186051,Na3La,-1.908824395,0.3170713513,0.3170713513,0.3170713513,GGA,Fm-3m,AB3_cF16_225_a_bc:La-Na,4.0,AB3_cF16_225_a_bc:La-Na +mp-1106000,La3Tl5,-3.7433780769,-0.4157234458,0.0,-0.0221708969,GGA,Cmcm,A3B5_oC32_63_ce_cfg:La-Tl,16.0,A3B5_oC32_63_ce_cfg:La-Tl +mp-2001,LaTl3,-3.370739155,-0.3647550187,0.0,-0.0876060549,GGA,Pm-3m,AB3_cP4_221_a_c:La-Tl,4.0,AB3_cP4_221_a_c:La-Tl +mp-22510,FeGe,-6.64884918,-0.1023246475,0.0198208833,-0.0166687629,GGA,C2/m,AB_mC16_12_aci_2i:Fe-Ge,8.0,AB_mC16_12_adi_2i:Fe-Ge +mp-22478,FeGe,-6.6686700633000005,-0.1221455308,0.0,-0.0364896462,GGA,P6/mmm,AB_hP6_191_f_ad:Fe-Ge,6.0,"Invalid WP multiplicities - AB_hP6_191_f_a2d:Fe-Ge, expected Fe3Ge5 to be FeGe" +mp-21255,FeGe,-6.6418359287,-0.0953113962,0.0268341346,-0.0096555116,GGA,P2_13,AB_cP8_198_a_a:Fe-Ge,8.0,AB_cP8_198_a_a:Fe-Ge +mp-672953,Np(FeGe)2,-7.838702948,-0.0119273857,0.1178079459,0.1178079459,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Np,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Np +mp-568258,Fe2Ge,-6.96495313,0.2227369617,0.3333981828,0.3333981828,GGA,P6/mmm,A2B_hP3_191_c_b:Fe-Ge,3.0,A2B_hP3_191_c_b:Fe-Ge +mp-20432,Fe2Ge,-7.22189691,-0.0342068183,0.0764544028,0.0764544028,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Fe-Ge,6.0,A2B_hP6_194_ac_d:Fe-Ge +mp-636946,Fe6Ge5,-6.8131302191,-0.0917423523,0.0272710941,0.0272710941,GGA,C2/m,A6B5_mC44_12_eg2ij_3ij:Fe-Ge,22.0,"Invalid WP multiplicities - A6B5_mC44_12_e2h4i4j_6i4j:Fe-Ge, expected Fe15Ge14 to be Fe6Ge5" +mp-1210139,Np4Fe,-11.223373896,0.8288540910000001,0.8288540910000001,0.8288540910000001,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Np,10.0,AB4_cF40_227_a_e:Fe-Np +mp-977155,NpFe3,-9.38918727,0.2002735578,0.2002735578,0.2002735578,GGA,I4/mmm,A3B_tI8_139_ad_b:Fe-Np,4.0,A3B_tI8_139_ad_b:Fe-Np +mp-21078,Fe3Ge,-7.6036402213,-0.09536735,0.0095517162,-0.0080518616,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Ge,8.0,A3B_hP8_194_h_c:Fe-Ge +mp-20344,Fe3Ge,-7.6078467475,-0.0995738762,0.00534519,-0.0122583878,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Ge,4.0,A3B_cP4_221_c_a:Fe-Ge +mp-20711,Fe3Ge,-7.6131919375,-0.1049190662,0.0,-0.0176035778,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Ge,4.0,A3B_cF16_225_ac_b:Fe-Ge +mp-1225358,Fe7Ge4,-7.1331321782,-0.0620176427,0.0507316347,0.0507316347,GGA,P-6m2,A7B4_hP11_187_cg2i_abh:Fe-Ge,11.0,"Invalid WP multiplicities - A7B4_hP11_187_cg4i_abh:Fe-Ge, expected Fe11Ge4 to be Fe7Ge4" +mp-1212970,Fe7Ge4,-7.14732003,-0.0762054945,0.0365437829,0.0365437829,GGA,P6_3/mmc,A7B4_hP22_194_agh_ch:Fe-Ge,22.0,A7B4_hP22_194_agh_ch:Fe-Ge +mp-1225239,Fe3Ge2,-6.9188772620000005,0.012346606,0.127601551,0.127601551,GGA,P-3m1,A3B2_hP5_164_ad_d:Fe-Ge,5.0,A3B2_hP5_164_ad_d:Fe-Ge +mp-1225197,Fe3Ge2,-7.004344706,-0.073120838,0.042134107,0.042134107,GGA,P-6m2,A3B2_hP5_187_ai_bc:Fe-Ge,5.0,A3B2_hP5_187_ai_bc:Fe-Ge +mp-601833,Fe13Ge3,-7.8273179337,-0.0786079778,8.13219e-05,8.13219e-05,GGA,Pm-3m,A13B3_cP16_221_abcg_d:Fe-Ge,16.0,"Invalid WP multiplicities - A13B3_cP16_221_ab3c3g_d:Fe-Ge, expected Fe35Ge3 to be Fe13Ge3" +mp-11383,NpFe2,-9.840625465,0.1219819021,0.1219819021,0.1219819021,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Np,6.0,A2B_cF24_227_c_b:Fe-Np +mp-1184472,FeGe3,-5.1614449238,0.42333127,0.4844040354,0.4844040354,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Ge,8.0,AB3_hP8_194_c_h:Fe-Ge +mp-640708,FeGe2,-5.9095293675,-0.0041703942,0.0772599597,0.0772599597,GGA,Cmce,AB2_oC48_64_df_2g:Fe-Ge,24.0,"Invalid WP multiplicities - AB2_oC48_64_2d3f_9g:Fe-Ge, expected Fe5Ge18 to be FeGe2" +mp-21117,FeGe2,-5.96869781,-0.0633388367,0.0180915172,0.0180915172,GGA,I4/mcm,AB2_tI12_140_a_h:Fe-Ge,6.0,AB2_tI12_140_a_h:Fe-Ge +mp-1183684,Co3Se,-6.0642061325,0.1410100832,0.4048863011,0.4048863011,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Se,4.0,A3B_cP4_221_c_a:Co-Se +mp-20862,CoSe2,-5.3122636667,-0.6122167499,0.0,-0.1779866705,GGA,Pnnm,AB2_oP6_58_a_g:Co-Se,6.0,AB2_oP6_58_a_g:Co-Se +mp-22309,CoSe2,-5.29658257,-0.5965356532,0.0156810967,-0.1623055739,GGA,Pa-3,AB2_cP12_205_a_c:Co-Se,12.0,AB2_cP12_205_a_c:Co-Se +mp-1390196,CoSe2,-5.2788264175,-0.5787795007000001,0.0334372492,-0.1445494214,GGA,Fd-3m,AB2_cF48_227_c_e:Co-Se,12.0,AB2_cF48_227_c_e:Co-Se +mp-604908,CoSe,-5.8068727825,-0.5047581462,0.0099130908,0.0099130908,GGA,P4/nmm,AB_tP4_129_a_c:Co-Se,4.0,AB_tP4_129_a_c:Co-Se +mp-426,CoSe,-5.6820295125,-0.3799148762,0.1347563608,0.1347563608,GGA,P6_3/mmc,AB_hP4_194_a_c:Co-Se,4.0,AB_hP4_194_a_c:Co-Se +mp-22745,Co9Se8,-5.9050700559,-0.4967081749,0.0,-0.0216416844,GGA,Fm-3m,A9B8_cF68_225_af_ce:Co-Se,17.0,A9B8_cF68_225_af_ce:Co-Se +mp-685129,Co17Se20,-5.6387597749000005,-0.4830940433,0.0563370901,0.0563370901,GGA,P-1,A17B20_aP74_2_ab16i_20i:Co-Se,74.0,"Invalid WP multiplicities - A17B20_aP74_2_ab32i_39i:Co-Se, expected Co11Se13 to be Co17Se20" +mp-684829,Co27Se32,-5.6348760725,-0.4858295005,0.0547207242,0.0547207242,GGA,P-1,A27B32_aP59_2_bce12i_16i:Co-Se,59.0,"Invalid WP multiplicities - A27B32_aP59_2_bce24i_30i:Co-Se, expected Co17Se20 to be Co27Se32" +mp-11800,Co3Se4,-5.5856413129,-0.5415556992,0.0167401171,0.0145568857,GGA,C2/m,A3B4_mC14_12_ai_2i:Co-Se,7.0,A3B4_mC14_12_ai_2i:Co-Se +mp-20456,Co3Se4,-5.60238143,-0.5582958163,0.0,-0.0021832314,GGA,Fd-3m,A3B4_cF56_227_ad_e:Co-Se,14.0,A3B4_cF56_227_ad_e:Co-Se +mp-1226026,CoRh,-7.153922695,0.0823901375,0.0823901375,0.0823901375,GGA,R-3m,AB_hR6_166_a_b:Co-Rh,2.0,AB_hR6_166_a_b:Co-Rh +mp-32861,Rh3Se8,-5.2707734255,-0.7198447499,0.0064472882,-0.0967059258,GGA,P2_1/c,A3B8_mP22_14_ae_4e:Rh-Se,22.0,"Invalid WP multiplicities - A3B8_mP22_14_2a2e_15e:Rh-Se, expected RhSe5 to be Rh3Se8" +mp-1407,Rh3Se8,-5.2772207136,-0.7262920381,0.0,-0.103153214,GGA,R-3,A3B8_hR33_148_d_cf:Rh-Se,11.0,A3B8_hR33_148_d_cf:Rh-Se +mp-974372,Rh3Se,-6.3385937825,0.0586149894,0.3458395546,0.3458395546,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-Se,8.0,A3B_hP8_194_h_c:Rh-Se +mp-900,RhSe,-5.8916146925,-0.4615050187,0.1129441117,0.1129441117,GGA,P6_3/mmc,AB_hP4_194_a_c:Rh-Se,4.0,AB_hP4_194_a_c:Rh-Se +mp-1078249,Co(RhSe2)2,-5.7061192557,-0.5888936206000001,0.0535225893,0.0535225893,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Rh-Se,7.0,AB2C4_mC14_12_a_i_2i:Co-Rh-Se +mp-1183704,CoRh3,-7.2348265575,0.0654837937,0.0654837937,0.0654837937,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Rh,4.0,AB3_cP4_221_a_c:Co-Rh +mp-684800,Rh9Se20,-5.4055372958,-0.7090890067000001,0.0272242488,0.0272242488,GGA,P-1,A9B20_aP116_2_abeh16i_40i:Rh-Se,116.0,"Invalid WP multiplicities - A9B20_aP116_2_abeh30i_80i:Rh-Se, expected Rh2Se5 to be Rh9Se20" +mp-1105666,Rh2Se3,-5.732608991,-0.6893389564,0.0,-0.0211453569,GGA,Pbcn,A2B3_oP20_60_d_cd:Rh-Se,20.0,A2B3_oP20_60_d_cd:Rh-Se +mp-1226422,Co3Rh,-6.9410284175,0.2312868963,0.2312868963,0.2312868963,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Rh,4.0,A3B_hP4_187_ah_b:Co-Rh +mp-1192175,RhSe2,-5.5278142746,-0.7424373328,0.0,-0.0337420003,GGA,Pnma,AB2_oP24_62_2c_4c:Rh-Se,24.0,AB2_oP24_62_2c_4c:Rh-Se +mp-983,RhSe2,-5.49411375,-0.7087368082000001,0.0337005246,-4.14757e-05,GGA,Pa-3,AB2_cP12_205_a_c:Rh-Se,12.0,AB2_cP12_205_a_c:Rh-Se +mp-980757,Sm5Sb3,-5.5314481631,-1.0339563637,0.0,-0.0337452372,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Sm,16.0,A3B5_hP16_193_g_dg:Sb-Sm +mp-2281,SmSb,-5.69075174,-1.2669580525,0.0,-0.204100174,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Sm,2.0,AB_cF8_225_a_b:Sb-Sm +mp-978832,Sm3Pd,-4.9876262975,-0.1537162437,0.2745349512,0.2745349512,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Sm,4.0,AB3_tI8_139_a_bd:Pd-Sm +mp-978802,Sm3Pd,-4.9840072,-0.1500971462,0.2781540488,0.2781540488,GGA,Pm-3m,AB3_cP4_221_a_c:Pd-Sm,4.0,AB3_cP4_221_a_c:Pd-Sm +mp-1078805,SmSb2Pd,-5.4650212625,-0.9259036562,0.0,-0.0228110156,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Pd-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Pd-Sb-Sm +mp-648832,Sm10Pd21,-5.8813336958,-0.8502569423,0.0004460326,-0.0069436855,GGA,P-1,A21B10_aP62_2_ad20i_10i:Pd-Sm,62.0,"Invalid WP multiplicities - A21B10_mC124_12_2e20i19j_20i:Pd-Sm, expected SmPd3 to be Sm10Pd21" +mp-662804,Sm10Pd21,-5.8817797284,-0.8507029748,0.0,-0.0073897181,GGA,C2/m,A21B10_mC124_12_e10i5j_10i:Pd-Sm,62.0,"Invalid WP multiplicities - A21B10_mC124_12_2e20i19j_20i:Pd-Sm, expected SmPd3 to be Sm10Pd21" +mp-1063016,SmPd2,-5.58978862,-0.5636720350000001,0.2881992869,0.2881992869,GGA,I4/mmm,A2B_tI6_139_d_a:Pd-Sm,3.0,A2B_tI6_139_d_a:Pd-Sm +mp-1104311,Sm3Pd4,-5.8444032021000005,-0.8622195386,0.0,-0.0080519781,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Sm,14.0,A4B3_hR42_148_abf_f:Pd-Sm +mp-1105892,Sm7Pd3,-5.3703668155,-0.513391978,0.000509456,0.000509456,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Pd-Sm,20.0,A3B7_hP20_186_c_b2c:Pd-Sm +mp-367,Sm4Sb3,-5.5954677757,-1.1295608814,0.0042533489,0.0042533489,GGA,I-43d,A3B4_cI28_220_a_c:Sb-Sm,14.0,A3B4_cI28_220_a_c:Sb-Sm +mp-1208933,Sm2Sb5,-5.1140565068,-0.8166024396,0.0,-0.0389874068,GGA,P2_1/m,A5B2_mP28_11_10e_4e:Sb-Sm,28.0,A5B2_mP28_11_10e_4e:Sb-Sm +mp-29647,SmSb2,-5.2327470767,-0.9072175383,0.0094639264,0.0094639264,GGA,Cmce,A2B_oC24_64_ef_f:Sb-Sm,12.0,A2B_oC24_64_ef_f:Sb-Sm +mp-1218997,SmSbPd,-5.18251322,-0.5066901583,0.5776336617,0.5010525992,GGA,P-3m1,ABC_hP6_164_d_d_c:Pd-Sb-Sm,6.0,ABC_hP6_164_d_d_c:Pd-Sb-Sm +mp-1208838,SmSbPd,-5.7601468817,-1.08432382,0.0,-0.0765810625,GGA,P6_3mc,ABC_hP6_186_b_b_a:Pd-Sb-Sm,6.0,ABC_hP6_186_b_b_a:Pd-Sb-Sm +mp-1019103,SmSbPd,-5.7293033383,-1.0534802767,0.0308435433,-0.0457375192,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Pd-Sb-Sm,6.0,ABC_hP6_194_c_d_a:Pd-Sb-Sm +mp-31380,SmPd,-5.8057363625,-0.8565023900000001,0.0,-0.0860795779,GGA,Cmcm,AB_oC8_63_c_c:Pd-Sm,4.0,AB_oC8_63_c_c:Pd-Sm +mp-357,SmPd3,-5.894924455,-0.8303665638000001,0.0,-0.1710717583,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Sm,4.0,A3B_cP4_221_c_a:Pd-Sm +mp-1207368,Sm2Sb3Pd,-2.18660494,2.31407136,3.353659815,3.353659815,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Pd-Sb-Sm,6.0,AB3C2_tP6_123_a_bg_g:Pd-Sb-Sm +mp-1077018,Sm2Sb,-5.4216635983,-0.8996057617000001,0.0194665617,0.0194665617,GGA,I4/mmm,AB2_tI12_139_e_ce:Sb-Sm,6.0,AB2_tI12_139_e_ce:Sb-Sm +mp-9945,CoTe2,-4.9330852867,-0.4681087594,0.0199028133,-0.0360277694,GGA,Pnnm,AB2_oP6_58_a_g:Co-Te,6.0,AB2_oP6_58_a_g:Co-Te +mp-1009641,CoTe2,-4.9529881,-0.4880115728,0.0,-0.0559305827,GGA,P-3m1,AB2_hP3_164_a_d:Co-Te,3.0,AB2_hP3_164_a_d:Co-Te +mp-1103359,CoTe2,-4.9195948058,-0.4546182786,0.0333932942,-0.0225372886,GGA,Pa-3,AB2_cP12_205_a_c:Co-Te,12.0,AB2_cP12_205_a_c:Co-Te +mp-1226090,Co5Te6,-5.2969258009,-0.3513417705,0.0479404255,0.0479404255,GGA,R-3,A5B6_hR33_148_a2c_f:Co-Te,11.0,"Invalid WP multiplicities - A5B6_hR33_148_a3c_f:Co-Te, expected Co7Te6 to be Co5Te6" +mp-1183699,Co3Te,-6.00509949,0.1119653296,0.2949696694,0.2949696694,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-Te,4.0,A3B_tI8_139_ad_b:Co-Te +mp-684822,Co19Te34,-5.0294161304,-0.4646908761,0.0049051657,0.0049051657,GGA,P-1,A19B34_aP53_2_a9i_17i:Co-Te,53.0,"Invalid WP multiplicities - A19B34_aP53_2_a17i_32i:Co-Te, expected Co35Te64 to be Co19Te34" +mp-1217269,TeSe2,-3.69797205,-0.3195957671,0.0,-0.1572979774,GGA,C2,A2B_mC6_5_c_a:Se-Te,3.0,A2B_mC6_5_c_a:Se-Te +mp-1225994,CoTeSe,-5.1167175233,-0.5342058013000001,0.01590836,0.01590836,GGA,P3m1,ABC_hP3_156_a_b_c:Co-Se-Te,3.0,ABC_hP3_156_a_b_c:Co-Se-Te +mp-1217322,TeSe,-3.56305537,-0.2434466845,0.0,-0.0037498592,GGA,P1,AB_aP6_1_3a_3a:Se-Te,6.0,AB_aP6_1_3a_3a:Se-Te +mp-1187404,Te3Se,-3.1476634312,0.0837938582,0.2055172004,0.2055172004,GGA,P6_3/mmc,AB3_hP8_194_c_h:Se-Te,8.0,AB3_hP8_194_c_h:Se-Te +mp-788,CoTe,-5.4014398925,-0.2756280483,0.0903806313,0.0903806313,GGA,P6_3/mmc,AB_hP4_194_a_c:Co-Te,4.0,AB_hP4_194_a_c:Co-Te +mp-1186405,PaNi,-7.73951713,-0.09211646,0.1816756225,0.1816756225,GGA,R-3m,AB_hR6_166_a_b:Ni-Pa,2.0,AB_hR6_166_a_b:Ni-Pa +mp-862865,PaZn3,-3.3672797025,-0.04380583,0.0,-0.04380583,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Zn,8.0,AB3_hP8_194_c_h:Pa-Zn +mp-983497,Pa3Zn,-7.3854723025,0.065462095,0.0800640383,0.0800640383,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Zn,4.0,A3B_cP4_221_c_a:Pa-Zn +mp-1186422,PaZnNi2,-5.8510788225,-0.267408415,0.0294537128,0.0294537128,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Pa-Zn,4.0,A2BC_cF16_225_c_a_b:Ni-Pa-Zn +mp-971804,ZnNi3,-4.7660970825,-0.11605867,0.0114265975,0.0114265975,GGA,I4/mmm,A3B_tI8_139_ad_b:Ni-Zn,4.0,A3B_tI8_139_ad_b:Ni-Zn +mp-971758,ZnNi3,-4.7635118675,-0.113473455,0.0140118125,0.0140118125,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Zn,4.0,A3B_cP4_221_c_a:Ni-Zn +mp-1215582,ZnNi4,-4.905219512,-0.029161446,0.072826768,0.072826768,GGA,R-3m,A4B_hR15_166_2c_a:Ni-Zn,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ni-Zn, expected ZnNi6 to be ZnNi4" +mp-1215522,ZnNi,-3.64916848,-0.129228335,0.1257422,0.0240539952,GGA,C2/m,AB_mC4_12_a_d:Ni-Zn,2.0,AB_mC4_12_a_d:Ni-Zn +mp-429,ZnNi,-3.77491068,-0.254970535,0.0,-0.1016882048,GGA,P4/mmm,AB_tP2_123_a_d:Ni-Zn,2.0,AB_tP2_123_a_d:Ni-Zn +mp-567903,ZnNi,-2.692143235,0.82779691,1.082767445,0.9810792402,GGA,F-43m,AB_cF8_216_a_c:Ni-Zn,2.0,AB_cF8_216_a_c:Ni-Zn +mp-1486,ZnNi,-3.765752925,-0.24581278,0.009157755,-0.0925304498,GGA,Pm-3m,AB_cP2_221_a_b:Ni-Zn,2.0,AB_cP2_221_a_b:Ni-Zn +mp-971941,Zn3Ni,-2.5589615525,-0.169119675,0.0282571401,0.0282571401,GGA,I4/mmm,AB3_tI8_139_a_bd:Ni-Zn,4.0,AB3_tI8_139_a_bd:Ni-Zn +mp-1187948,Zn3Ni,-2.5539238762,-0.1640819987,0.0332948163,0.0332948163,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Zn,8.0,AB3_hP8_194_c_h:Ni-Zn +mp-581951,Zn53Ni16,-2.5011540558,-0.1932033571,0.0,-0.0099905762,GGA,Cmce,A16B53_oC276_64_4f2g_a6f10g:Ni-Zn,138.0,"Invalid WP multiplicities - A16B53_oC276_64_16f14g_2a24f73g:Ni-Zn, expected Zn171Ni44 to be Zn53Ni16" +mp-862852,PaNi3,-7.1244567987,-0.4106881237,0.0,-0.3646298938,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Pa,8.0,A3B_hP8_194_h_c:Ni-Pa +mp-1207504,Zn22Ni3,-1.931195336,-0.1290045576,0.0,-0.0023895381,GGA,C2/m,A3B22_mC50_12_ai_h4i3j:Ni-Zn,25.0,A3B22_mC50_12_ai_h4i3j:Ni-Zn +mp-11532,Zn11Ni2,-2.1175156458,-0.1623269481,0.0,-0.01390155,GGA,I-43m,A2B11_cI52_217_c_ceg:Ni-Zn,26.0,A2B11_cI52_217_c_ceg:Ni-Zn +mp-1197877,La5Rh4,-6.7092121506,-0.6939602611,0.0189638467,0.0189638467,GGA,Pnma,A5B4_oP36_62_c2d_2cd:La-Rh,36.0,A5B4_oP36_62_c2d_2cd:La-Rh +mp-1105069,La2Sn5,-4.8780936779,-0.6038260371,0.0254042507,0.0254042507,GGA,Cmmm,A2B5_oC28_65_2g_acg3h:La-Sn,14.0,A2B5_oC28_65_2g_acg3h:La-Sn +mp-1182656,La2Sn5,-4.42494946,-0.1506818193,0.4785484686,0.4785484686,GGA,Cmmm,A2B5_oC28_65_gh_ac3gh:La-Sn,14.0,A2B5_oC28_65_gh_ac3gh:La-Sn +mp-1681,La3Sn,-5.182072705,-0.4776744125,0.0,-0.0079163913,GGA,Pm-3m,A3B_cP4_221_c_a:La-Sn,4.0,A3B_cP4_221_c_a:La-Sn +mp-569100,LaRh3,-7.2633967,-0.5061640212,0.0196793262,0.009215355,GGA,R-3m,AB3_hR36_166_ac_bch:La-Rh,12.0,"Invalid WP multiplicities - AB3_hR36_166_a2c_bch:La-Rh, expected La5Rh9 to be LaRh3" +mp-974030,LaRh3,-7.2830760262,-0.5258433475000001,0.0,-0.0104639712,GGA,P6_3/mmc,AB3_hP24_194_cf_abdk:La-Rh,24.0,AB3_hP24_194_cf_abdk:La-Rh +mp-1065783,LaRh3,-7.1061940275,-0.3489613487,0.1768819987,0.1664180275,GGA,Pm-3m,AB3_cP4_221_a_c:La-Rh,4.0,AB3_cP4_221_a_c:La-Rh +mp-1002107,LaRh,-6.890009815,-0.7398523275000001,0.0,-0.0400393455,GGA,Cmcm,AB_oC8_63_c_c:La-Rh,4.0,AB_oC8_63_c_c:La-Rh +mp-1077735,LaSn2,-4.990597055,-0.67221345,0.0136743365,0.0136743365,GGA,Cmmm,AB2_oC12_65_g_ach:La-Sn,6.0,AB2_oC12_65_g_ach:La-Sn +mp-17370,LaSn2Rh,-5.8658364312,-0.78597176,0.0,-0.0317959631,GGA,Cmcm,ABC2_oC32_63_ac_f_2cf:La-Rh-Sn,16.0,"Invalid WP multiplicities - ABC2_oC32_63_ac_f_4cf:La-Rh-Sn, expected LaSn3Rh to be LaSn2Rh" +mp-1086668,LaSn2Rh,-5.8286713238,-0.7488066525,0.0371651075,0.0053691444,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Rh-Sn,8.0,ABC2_oC16_63_c_c_2c:La-Rh-Sn +mp-626,La4Rh3,-6.6819377636,-0.7052303307000001,0.0,-0.0211804779,GGA,I-43d,A4B3_cI28_220_c_a:La-Rh,14.0,A4B3_cI28_220_c_a:La-Rh +mp-1190346,La2Rh7,-7.2653881239,-0.4407026461,0.0267136628,0.0267136628,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:La-Rh,18.0,A2B7_hR54_166_2c_a2cdh:La-Rh +mp-568375,La2Rh7,-7.2781720875,-0.4534866097,0.0139296992,0.0139296992,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:La-Rh,36.0,"Invalid WP multiplicities - A2B7_hP36_194_5f_2a4e4f5h7k:La-Rh, expected La2Rh15 to be La2Rh7" +mp-30755,La2Sn5Rh3,-5.934588304,-0.7333085945000001,0.0,-0.0050255038,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:La-Rh-Sn,20.0,A2B3C5_oI40_72_j_aj_bfj:La-Rh-Sn +mp-1188370,La3Sn5,-5.0832807725,-0.7262956988,0.0033114934,0.0033114934,GGA,Cmcm,A3B5_oC32_63_ce_cfg:La-Sn,16.0,A3B5_oC32_63_ce_cfg:La-Sn +mp-1104495,La3Rh2,-6.569056274,-0.661728863,0.0066886628,0.0066886628,GGA,R-3,A3B2_hR45_148_acf_f:La-Rh,15.0,A3B2_hR45_148_acf_f:La-Rh +mp-510494,La5Sn3,-5.2932309181,-0.7046370319,0.0,-0.0317591401,GGA,I4/mcm,A5B3_tI32_140_bk_ah:La-Sn,16.0,A5B3_tI32_140_bk_ah:La-Sn +mp-1105908,La5Sn3,-5.2807596944,-0.6921658081000001,0.0124712238,-0.0192879163,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:La-Sn,16.0,A5B3_hP16_193_dg_g:La-Sn +mp-1211329,La2Sn3,-5.1359847905,-0.7558388355,0.0,-0.0124472658,GGA,P-1,A2B3_aP20_2_4i_6i:La-Sn,20.0,A2B3_aP20_2_4i_6i:La-Sn +mp-1193123,La(Sn2Rh)2,-5.759169275,-0.6587535229,0.0,-0.0258482649,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:La-Rh-Sn,28.0,AB2C4_oP28_62_c_2c_4c:La-Rh-Sn +mp-1079273,La3Sn7,-4.938414692,-0.6509122620000001,0.0,-0.015378771,GGA,Cmmm,A3B7_oC20_65_ag_cg2h:La-Sn,10.0,A3B7_oC20_65_ag_cg2h:La-Sn +mp-1189031,La7Rh3,-6.204070043,-0.5395727085,0.0,-0.0432760612,GGA,P6_3mc,A7B3_hP20_186_b2c_c:La-Rh,20.0,A7B3_hP20_186_b2c_c:La-Rh +mp-1702,LaRh2,-7.2420467833,-0.6871725017,0.0,-0.0899928275,GGA,Fd-3m,AB2_cF24_227_a_d:La-Rh,6.0,AB2_cF24_227_a_d:La-Rh +mp-976378,La3Sn4,-5.1695452414,-0.7629297079,0.0,-0.0005384814,GGA,Cmcm,A3B4_oC28_63_cf_acf:La-Sn,14.0,"Invalid WP multiplicities - A3B4_oC28_63_2c3f_2a2c4f:La-Sn, expected La2Sn3 to be La3Sn4" +mp-30757,La5Sn4,-5.3055823742,-0.7813242692,0.0,-0.0220628762,GGA,Pnma,A5B4_oP36_62_c2d_2cd:La-Sn,36.0,A5B4_oP36_62_c2d_2cd:La-Sn +mp-1211535,La4Rh,-5.44909027,-0.027423012,0.332292127,0.332292127,GGA,Fd-3m,A4B_cF40_227_e_a:La-Rh,10.0,A4B_cF40_227_e_a:La-Rh +mp-1181275,La11Sn10,-5.2790799917,-0.7842325295,0.0,-0.0075069007,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:La-Sn,42.0,A11B10_tI84_139_eh2n_dehim:La-Sn +mp-12378,LaSnRh,-6.3271476922,-0.8905187489,0.0,-0.1199201331,GGA,P-62m,ABC_hP9_189_f_ad_g:La-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:La-Rh-Sn +mp-633,LaSn3,-4.81620602,-0.5750253525,0.0,-0.0325984675,GGA,Pm-3m,AB3_cP4_221_a_c:La-Sn,4.0,AB3_cP4_221_a_c:La-Sn +mp-640274,La3Sn13Rh4,-5.4306360541,-0.6111517086,0.0,-0.0291448083,GGA,I4_132,A3B4C13_cI320_214_gh_abgh_e4i:La-Rh-Sn,160.0,"Invalid WP multiplicities - A3B4C13_cI320_214_9g9h_3a4b8g9h_8e76i:La-Rh-Sn, expected La27Sn236Rh29 to be La3Sn13Rh4" +mp-30513,La3Sn13Rh4,-5.4296373515,-0.610153006,0.0009987026,-0.0281461057,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:La-Rh-Sn,40.0,"Invalid WP multiplicities - A3B4C13_cP40_223_c_e_a2k:La-Rh-Sn, expected La3Sn25Rh4 to be La3Sn13Rh4" +mp-983430,HfZnPt2,-6.713407125,-0.8736073050000001,0.0054946431,0.0054946431,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Pt-Zn,4.0,AB2C_cF16_225_a_c_b:Hf-Pt-Zn +mp-1201271,HfZn22,-1.6875297235,-0.0496363126,0.003959332,0.003959332,GGA,Fd-3m,AB22_cF184_227_a_cdfg:Hf-Zn,46.0,AB22_cF184_227_a_cdfg:Hf-Zn +mp-1070103,Hf2Pt3,-8.74144054,-1.115884936,0.0088760837,0.0088760837,GGA,I4/mmm,A2B3_tI10_139_e_ae:Hf-Pt,5.0,A2B3_tI10_139_e_ae:Hf-Pt +mp-30856,ZnPt3,-5.1808057675,-0.312519875,0.0,-0.029878055,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Zn,4.0,A3B_cP4_221_c_a:Pt-Zn +mp-866108,HfZn3,-3.6382544125,-0.2041494475,0.0,-0.0283742939,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Zn,8.0,AB3_hP8_194_c_h:Hf-Zn +mp-1016106,HfZn16,-1.8438698009,-0.0725117544,0.0,-0.0113945897,GGA,Cmcm,AB16_oC68_63_c_ac2fg2h:Hf-Zn,34.0,AB16_oC68_63_c_ac2fg2h:Hf-Zn +mp-865355,Zn3Pt,-2.86214037,-0.3995493325,0.0,-0.0646643641,GGA,I4/mmm,AB3_tI8_139_a_bd:Pt-Zn,4.0,AB3_tI8_139_a_bd:Pt-Zn +mp-30857,Zn12Pt7,-3.5198493955,-0.4874885239,0.0078174229,0.0078174229,GGA,Pbam,A7B12_oP38_55_a3g_6h:Pt-Zn,38.0,"Invalid WP multiplicities - A7B12_oP38_55_a3g_7h:Pt-Zn, expected Zn2Pt to be Zn12Pt7" +mp-569514,Zn49Pt29,-3.5466276859,-0.4980340555,0.0,-0.008550785,GGA,Amm2,A29B49_oC156_38_a14d_b24e:Pt-Zn,78.0,"Invalid WP multiplicities - A29B49_oC156_38_a25d_b48e:Pt-Zn, expected Zn97Pt51 to be Zn49Pt29" +mp-894,ZnPt,-4.230722105,-0.56528364,0.0,-0.1301357474,GGA,P4/mmm,AB_tP2_123_a_d:Pt-Zn,2.0,AB_tP2_123_a_d:Pt-Zn +mp-974049,Hf3Pt,-9.3731622475,-0.387487145,0.1866588925,0.1866588925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Pt,8.0,A3B_hP8_194_h_c:Hf-Pt +mp-1184553,Hf3Pt,-9.3917376425,-0.40606254,0.1680834975,0.1680834975,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Pt,4.0,A3B_cP4_221_c_a:Hf-Pt +mp-1014219,HfZn,-5.80766889,-0.19920257,4.4779000000000006e-05,4.4779000000000006e-05,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Zn,2.0,AB_cP2_221_a_b:Hf-Zn +mp-1192084,HfZn2,-4.3796794879,-0.2207874046,0.0,-0.0182869163,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Hf-Zn,24.0,AB2_hP24_194_ef_fgh:Hf-Zn +mp-514,HfZn2,-4.3762610267,-0.2173689433,0.0034184612,-0.014868455,GGA,Fd-3m,AB2_cF24_227_a_d:Hf-Zn,6.0,AB2_cF24_227_a_d:Hf-Zn +mp-1224475,HfPt4,-7.7209470405,-0.8726025785,0.0,-0.001031029,GGA,P4/mmm,AB4_tP20_123_2g_ace2h2i:Hf-Pt,20.0,"Invalid WP multiplicities - AB4_tP20_123_3g_ac2e3h7i:Hf-Pt, expected Hf3Pt20 to be HfPt4" +mp-11456,HfPt3,-8.1321116844,-1.0894644369,0.0,-0.156041269,GGA,P6_3/mmc,AB3_hP16_194_ac_gh:Hf-Pt,16.0,"Invalid WP multiplicities - AB3_hP16_194_2ac_4g4h:Hf-Pt, expected HfPt8 to be HfPt3" +mp-1018054,HfPt3,-8.1272866825,-1.084639435,0.0048250019,-0.1512162671,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Pt,4.0,AB3_cP4_221_a_c:Hf-Pt +mp-1007691,HfPt,-9.16245325,-1.148292075,0.0,-0.2183879617,GGA,Cmcm,AB_oC8_63_c_c:Hf-Pt,4.0,AB_oC8_63_c_c:Hf-Pt +mp-11455,HfPt,-8.989856715,-0.97569554,0.172596535,-0.0457914267,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Pt,2.0,AB_cP2_221_a_b:Hf-Pt +mp-1014231,Hf2Zn,-7.23574785,-0.1777072933,0.0,-0.04490558,GGA,I4/mmm,A2B_tI6_139_e_a:Hf-Zn,3.0,A2B_tI6_139_e_a:Hf-Zn +mp-31467,Ga3Pd7,-5.122031807,-0.5876857332000001,0.001795208,0.001795208,GGA,C2/m,A3B7_mC20_12_ai_c3i:Ga-Pd,10.0,A3B7_mC20_12_ai_d3i:Ga-Pd +mp-2408,Ga3Pd5,-5.0095862469,-0.6366241072000001,0.0130909853,0.0130909853,GGA,Pbam,A3B5_oP16_55_ah_cgh:Ga-Pd,16.0,"Invalid WP multiplicities - A3B5_oP16_55_2a3h_cg2h:Ga-Pd, expected Ga8Pd7 to be Ga3Pd5" +mp-405,Ga2Pd5,-5.1305969611,-0.5655110904,0.0,-0.0024188695,GGA,Pnma,A2B5_oP28_62_2c_5c:Ga-Pd,28.0,A2B5_oP28_62_2c_5c:Ga-Pd +mp-31485,Ga5Pd13,-5.1315360278,-0.5493724921,0.0004299569,0.0004299569,GGA,C2/m,A5B13_mC36_12_a2i_c6i:Ga-Pd,18.0,A5B13_mC36_12_a2i_d6i:Ga-Pd +mp-30660,Ga5Pd,-3.6436621275,-0.2569351404,0.0,-0.0093802544,GGA,I4/mcm,A5B_tI24_140_cl_a:Ga-Pd,12.0,A5B_tI24_140_cl_a:Ga-Pd +mp-971720,ZnGa3,-2.549983875,0.0360240444,0.0360240444,0.0360240444,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Zn,4.0,A3B_cP4_221_c_a:Ga-Zn +mp-1106289,Ga7Pd3,-4.1192305535,-0.4455987948,0.0,-0.0263862745,GGA,Im-3m,A7B3_cI40_229_df_e:Ga-Pd,20.0,A7B3_cI40_229_df_e:Ga-Pd +mp-1184278,GaPd3,-5.0964915463,-0.4545561831,0.0402660209,0.0402660209,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Pd,8.0,AB3_hP8_194_c_h:Ga-Pd +mp-1184209,GaPd3,-5.09614067,-0.4542053069,0.0406168972,0.0406168972,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Pd,4.0,AB3_cP4_221_a_c:Ga-Pd +mp-1184254,GaPd3,-5.08459396,-0.4426585969,0.0521636072,0.0521636072,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Pd,4.0,AB3_cF16_225_a_bc:Ga-Pd +mp-1869,GaPd2,-5.1080304742,-0.6454105933000001,0.0,-0.0359744717,GGA,Pnma,AB2_oP12_62_c_2c:Ga-Pd,12.0,AB2_oP12_62_c_2c:Ga-Pd +mp-1224802,GaPd,-4.64434527,-0.5403563537,0.1222722363,0.0227964794,GGA,R-3m,AB_hR6_166_a_b:Ga-Pd,2.0,AB_hR6_166_a_b:Ga-Pd +mp-1078526,GaPd,-4.7666175063,-0.66262859,0.0,-0.0994757568,GGA,P2_13,AB_cP8_198_a_a:Ga-Pd,8.0,AB_cP8_198_a_a:Ga-Pd +mp-1212609,GaPd,-4.680704325,-0.5767154087,0.0859131813,-0.0135625756,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Pd,2.0,AB_cP2_221_a_b:Ga-Pd +mp-30662,Zn3Ga4Pd7,-4.3313313364,-0.60627508,0.0193472671,0.0193472671,GGA,R3,A4B7C3_hR42_146_ab_a2b_b:Ga-Pd-Zn,14.0,"Invalid WP multiplicities - A4B7C3_hR42_146_ab_a4b_b:Ga-Pd-Zn, expected Zn3Ga4Pd13 to be Zn3Ga4Pd7" +mp-1093745,ZnGaPd2,-2.5376825975,1.1242182156,1.7436728556,1.7436728556,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Pd-Zn +mp-637377,Ti2In5,-4.1857326279,0.0356106126,0.1173578679,0.1173578679,GGA,P4/mbm,A5B2_tP14_127_cj_g:In-Ti,14.0,"Invalid WP multiplicities - A5B2_tP14_127_2c2j_g:In-Ti, expected TiIn5 to be Ti2In5" +mp-1205133,Ti8In5,-6.022378091,-0.1052738769,0.0303435433,0.0303435433,GGA,P-43m,A5B8_cP52_215_2ei_2efgi:In-Ti,52.0,A5B8_cP52_215_2ei_2efgi:In-Ti +mp-540671,Ti7Cl16,-5.6172058559,-1.9282914786,0.0,-0.0069817039,GGA,Pnnm,A16B7_oP46_58_4g2h_agh:Cl-Ti,46.0,A16B7_oP46_58_4g2h_agh:Cl-Ti +mp-1216825,TiIn,-5.46664557,-0.1430576967,0.0,-0.0575226717,GGA,P4/mmm,AB_tP2_123_a_d:In-Ti,2.0,AB_tP2_123_a_d:In-Ti +mp-30092,TiCl4,-5.139105816,-2.0811780847,0.0,-0.424048404,GGA,P2_1/c,A4B_mP20_14_4e_e:Cl-Ti,20.0,A4B_mP20_14_4e_e:Cl-Ti +mp-1008702,Ti2In,-5.64478908,0.5361001744,0.668410805,0.668410805,GGA,F-43m,AB2_cF12_216_a_bc:In-Ti,3.0,AB2_cF12_216_a_bc:In-Ti +mp-28116,TiCl2,-5.6694732633000005,-1.8052848178,0.0426611826,0.0426611826,GGA,P-3m1,A2B_hP3_164_d_a:Cl-Ti,3.0,A2B_hP3_164_d_a:Cl-Ti +mp-1101117,Ti2(InCl3)3,-4.5624055493,-1.656486609,0.0074462128,0.0074462128,GGA,P6_3mc,A9B3C2_hP28_186_3c_a2b_2b:Cl-In-Ti,28.0,"Invalid WP multiplicities - A9B3C2_hP28_186_16c_a4b_4b:Cl-In-Ti, expected Ti4In5Cl48 to be Ti2(InCl3)3" +mp-20433,Ti3In4,-4.9862510743,-0.0300780786,0.0925428043,0.0925428043,GGA,P4/mbm,A4B3_tP14_127_j_cg:In-Ti,14.0,"Invalid WP multiplicities - A4B3_tP14_127_j_2c2g:In-Ti, expected Ti3In2 to be Ti3In4" +mp-1187541,Ti3In,-6.73152893,-0.121988985,0.0049481125,-0.0504601367,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Ti,4.0,AB3_tI8_139_a_bd:In-Ti +mp-866046,Ti3In,-6.7364770425,-0.1269370975,0.0,-0.0554082492,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Ti,8.0,AB3_hP8_194_c_h:In-Ti +mp-1187665,Ti3In,-6.7275616475,-0.1180217025,0.008915395,-0.0464928542,GGA,Pm-3m,AB3_cP4_221_a_c:In-Ti,4.0,AB3_cP4_221_a_c:In-Ti +mp-998979,Ti3In,-6.6412502625,-0.0317103175,0.09522678,0.0398185308,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Ti,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:In-Ti, expected Ti5In to be Ti3In" +mp-23275,TiCl3,-5.4038687637,-2.0435932646,0.0278188363,-0.0356733453,GGA,R-3,A3B_hR24_148_f_c:Cl-Ti,8.0,A3B_hR24_148_f_c:Cl-Ti +mp-571377,TiCl3,-5.4063610296,-2.0460855304,0.0253265704,-0.0381656111,GGA,C2/m,A3B_mC48_12_3i3j_gj:Cl-Ti,24.0,"Invalid WP multiplicities - A3B_mC48_12_5i10j_2g3j:Cl-Ti, expected Ti8Cl25 to be TiCl3" +mp-2036706,TiCl3,-5.410002185,-2.0497266858,0.021685415,-0.0418067666,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Ti,8.0,A3B_mC16_12_ij_g:Cl-Ti +mp-571424,TiCl3,-5.405743805,-2.0454683058,0.025943795,-0.0375483866,GGA,C2/c,A3B_mC32_15_3f_2e:Cl-Ti,16.0,"Invalid WP multiplicities - A3B_mC32_15_8f_4e:Cl-Ti, expected TiCl4 to be TiCl3" +mp-568230,TiCl3,-5.4041648175,-2.0438893183,0.0275227825,-0.0359693991,GGA,P312,A3B_hP24_149_3l_acgi:Cl-Ti,24.0,"Invalid WP multiplicities - A3B_hP24_149_13l_ac2gi:Cl-Ti, expected Ti4Cl39 to be TiCl3" +mp-569756,TiCl3,-5.4050370633,-2.0447615642,0.0266505367,-0.0368416449,GGA,P3_112,A3B_hP24_151_3c_2a:Cl-Ti,24.0,"Invalid WP multiplicities - A3B_hP24_151_11c_4a:Cl-Ti, expected Ti2Cl11 to be TiCl3" +mp-567354,TiCl3,-5.4033196,-2.0430441008,0.0283679999999999,-0.0351241816,GGA,P-31m,A3B_hP8_162_k_c:Cl-Ti,8.0,A3B_hP8_162_k_c:Cl-Ti +mp-567330,TiCl3,-5.4036574556,-2.0433819565,0.0280301444,-0.0354620372,GGA,P-31c,A3B_hP16_163_i_ac:Cl-Ti,16.0,"Invalid WP multiplicities - A3B_hP16_163_i_2a2c:Cl-Ti, expected Ti2Cl3 to be TiCl3" +mp-571143,TiCl3,-5.4316876,-2.0714121008,0.0,-0.0634921816,GGA,P6_3/mcm,A3B_hP8_193_g_b:Cl-Ti,8.0,A3B_hP8_193_g_b:Cl-Ti +mp-1103958,GdIr3,-10.7282139267,-0.5803577317,0.0,-0.5803577317,GGA,R-3m,AB3_hR36_166_ac_bch:Gd-Ir,12.0,AB3_hR36_166_ac_bch:Gd-Ir +mp-510400,GdIr3,-10.510248385,-0.36239219,0.2179655417,-0.36239219,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Ir,4.0,AB3_cP4_221_a_c:Gd-Ir +mp-1224874,Gd2Si3,-9.300295772,-0.414656058,0.220310282,0.220310282,GGA,P-6m2,A2B3_hP5_187_i_abc:Gd-Si,5.0,A2B3_hP5_187_i_abc:Gd-Si +mp-1184530,Gd3Si,-12.1766026225,-0.263181435,0.1320138559,0.1320138559,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Si,8.0,A3B_hP8_194_h_c:Gd-Si +mp-21192,GdSi2,-8.8535481567,-0.5446287233,0.0,-0.0309802133,GGA,I4_1/amd,AB2_tI12_141_a_e:Gd-Si,6.0,AB2_tI12_141_a_e:Gd-Si +mp-20125,GdSi2,-8.8301111067,-0.5211916733,0.02343705,-0.0075431633,GGA,P6/mmm,AB2_hP3_191_a_d:Gd-Si,3.0,AB2_hP3_191_a_d:Gd-Si +mp-1069477,GdSi3Ir,-8.65090753,-0.812805428,0.0,-0.179436298,GGA,I4mm,ABC3_tI10_107_a_a_ab:Gd-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Gd-Ir-Si +mp-1199486,Gd5Si4,-10.933889775,-0.7025694061000001,0.0,-0.0177047261,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Gd-Si,36.0,A5B4_oP36_62_c2d_2cd:Gd-Si +mp-601371,GdSi,-10.5211929,-0.7704727650000001,0.0,-0.1073885296,GGA,Pnma,AB_oP8_62_c_c:Gd-Si,8.0,AB_oP8_62_c_c:Gd-Si +mp-20700,Gd(SiIr)2,-8.594124512,-0.07339918,0.6530377904,0.6530377904,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Ir-Si +mp-976588,HoTh3,-6.6738196625,0.0321762425,0.0321762425,0.0321762425,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Th,4.0,AB3_cP4_221_a_c:Ho-Th +mp-1184722,Ho3Th,-5.23998532,0.050285895,0.050285895,0.050285895,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Th,8.0,A3B_hP8_194_h_c:Ho-Th +mp-1102354,ThTc2,-9.5187744,-0.1403956867,0.0,-0.1403956867,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Tc-Th,12.0,A2B_hP12_194_ah_f:Tc-Th +mp-864626,HoThTc2,-8.2264176925,-0.04703144,0.1066737462,0.1066737462,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Ho-Tc-Th +mp-1223797,HoTh,-5.97432764,0.02380592,0.02380592,0.02380592,GGA,R-3m,AB_hR6_166_a_b:Ho-Th,2.0,AB_hR6_166_a_b:Ho-Th +mp-1101968,HoTc2,-8.639502501700001,-0.2049402483,0.0,-0.2049402483,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Tc,12.0,AB2_hP12_194_f_ah:Ho-Tc +mp-1187451,ThTc3,-9.357750565,0.2661932062,0.3714899712,0.3714899712,GGA,I4/mmm,A3B_tI8_139_ad_b:Tc-Th,4.0,A3B_tI8_139_ad_b:Tc-Th +mp-1187476,ThTc3,-9.3546565375,0.2692872337,0.3745839987,0.3745839987,GGA,Fm-3m,A3B_cF16_225_ac_b:Tc-Th,4.0,A3B_aP4_2_bi_d:Tc-Th +mp-863660,Pm2CoIr,-6.67181639,-0.309857235,0.0,-0.309857235,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ir-Pm,4.0,ABC2_cF16_225_a_b_c:Co-Ir-Pm +mp-1226027,CoIr,-7.930818925,0.0425570625,0.0425570625,0.0425570625,GGA,R-3m,AB_hR6_166_a_b:Co-Ir,2.0,AB_hR6_166_a_b:Co-Ir +mp-1226007,CoIr,-7.949039385,0.0243366025,0.0243366025,0.0243366025,GGA,P-6m2,AB_hP2_187_a_d:Co-Ir,2.0,AB_hP2_187_a_d:Co-Ir +mp-1226447,Co3Ir,-7.4954264775,0.0454204138,0.0454204138,0.0454204138,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Ir,4.0,A3B_hP4_187_ah_b:Co-Ir +mp-1183698,Co3Ir,-7.4899925475,0.0508543438,0.0508543438,0.0508543438,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Ir,4.0,A3B_cP4_221_c_a:Co-Ir +mp-30579,ErCu5,-4.37234306,-0.1950510333,0.0,-0.0534335308,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Er,6.0,"Invalid WP multiplicities - A5B_cF24_216_a2e_c:Cu-Er, expected ErCu9 to be ErCu5" +mp-1955,ErCu,-4.60668835,-0.27322561,0.0,-0.0607993563,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Er,2.0,AB_cP2_221_a_b:Cu-Er +mp-1024991,ErCu2,-4.5386123883,-0.283235005,0.0,-0.0490966833,GGA,Imma,A2B_oI12_74_h_e:Cu-Er,6.0,A2B_oI12_74_h_e:Cu-Er +mp-985437,ErLu3,-4.5305515262,0.0020910663,0.0020910663,0.0020910663,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Lu,8.0,AB3_hP8_194_c_h:Er-Lu +mp-1184196,Er3Lu,-4.55008093,0.0059458075,0.0059458075,0.0059458075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Lu,8.0,A3B_hP8_194_h_c:Er-Lu +mp-1184202,ErLuCu2,-4.61210468,-0.2903340125,0.0,-0.0433617506,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Er-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-Er-Lu +mp-1183256,AgPb3,-3.407531545,0.0850927583,0.0850927583,0.0850927583,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Pb,4.0,AB3_tI8_139_a_bd:Ag-Pb +mp-985702,AgPb3,-3.399717235,0.0929070683,0.0929070683,0.0929070683,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Pb,8.0,AB3_hP8_194_c_h:Ag-Pb +mp-1183076,Ac2AgPb,-4.08403976,-0.3871514879,0.0,-0.2391945997,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ag-Pb,4.0,A2BC_cF16_225_c_a_b:Ac-Ag-Pb +mp-865950,AcAg3,-3.3564227188,-0.2017119644,0.0,-0.0746581346,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Ag,8.0,AB3_hP8_194_c_h:Ac-Ag +mp-1183065,AcAg2Pb,-3.6706472975,-0.2959137765,0.0,-0.0974563003,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-Pb,4.0,AB2C_cF16_225_a_c_b:Ac-Ag-Pb +mp-1229123,Ag3Pb,-2.91043117,0.1421475999999999,0.1421475999999999,0.1421475999999999,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Pb,4.0,A3B_hP4_187_ah_b:Ag-Pb +mp-1183080,Ac3Ag,-3.7127340575,0.086286199,0.2133400287,0.2133400287,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Ag,4.0,A3B_tI8_139_ad_b:Ac-Ag +mp-1183112,Ac3Ag,-3.7058952675,0.093124989,0.2201788188,0.2201788188,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Ag,8.0,A3B_hP8_194_h_c:Ac-Ag +mp-866199,AcAg,-3.730973165,-0.2541076596,0.0,-0.1196330167,GGA,Pm-3m,AB_cP2_221_a_b:Ac-Ag,2.0,AB_cP2_221_a_b:Ac-Ag +mp-681992,Zr5Pb3,-6.8805103812,-0.1459548362,0.0,-0.0300851508,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Zr,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_4d4g:Pb-Zr, expected Zr20Pb3 to be Zr5Pb3" +mp-1187844,Zr3Pb,-7.4779808625,-0.1390436225,0.0,-0.0417403983,GGA,I4/mmm,AB3_tI8_139_a_bd:Pb-Zr,4.0,AB3_tI8_139_a_bd:Pb-Zr +mp-1207529,ZrPb,-6.146365885,-0.016192035,0.100571834,0.100571834,GGA,P2_1/c,AB_mP8_14_e_e:Pb-Zr,8.0,AB_mP8_14_e_e:Pb-Zr +mp-961709,ZrPtPb,-6.2281454067,-0.1176517333,0.60431005,0.60431005,GGA,F-43m,ABC_cF12_216_a_b_c:Pb-Pt-Zr,3.0,ABC_cF12_216_a_b_c:Pb-Pt-Zr +mp-1095669,HfTc2,-10.5882315042,-0.3620758642,0.0,-0.0392983125,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Hf-Tc,12.0,AB2_hP12_194_f_ah:Hf-Tc +mp-11460,HfTc,-10.643080315,-0.4841663275,0.0,-0.2126094294,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Tc,2.0,AB_cP2_221_a_b:Hf-Tc +mp-1203605,Hf21Re25,-11.7202785954,-0.4112753508,0.0,-0.088102759,GGA,R-3c,A21B25_hR276_167_e3f_b2e3f:Hf-Re,92.0,A21B25_hR276_167_e3f_b2e3f:Hf-Re +mp-1689,HfRe2,-12.0118395125,-0.3964250458,0.0,-0.0502376619,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Hf-Re,12.0,AB2_hP12_194_f_ah:Hf-Re +mp-973443,Hf2ReTc,-11.0838288275,-0.40394278,0.0273270451,0.0273270451,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Re-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Re-Tc +mp-974492,ReTc3,-10.883631485,-0.00202048,0.0,-0.000279975,GGA,P6_3/mmc,AB3_hP8_194_c_h:Re-Tc,8.0,AB3_hP8_194_c_h:Re-Tc +mp-1186915,ReTc,-11.406064075,-0.00348101,0.0,-0.0021340233,GGA,P-6m2,AB_hP2_187_a_d:Re-Tc,2.0,AB_hP2_187_a_d:Re-Tc +mp-567490,Hf5Re24,-12.2768395307,-0.2611637517,0.0,-0.0561163142,GGA,I-43m,A5B24_cI58_217_ac_2g:Hf-Re,29.0,A5B24_cI58_217_ac_2g:Hf-Re +mp-974411,Re3Tc,-11.9228422075,0.0007129175,0.0024534225,0.0024534225,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-Tc,8.0,A3B_hP8_194_h_c:Re-Tc +mp-2665,PrRu2,-7.8732815617,-0.0967112833,0.0,-0.0049943051,GGA,Fd-3m,AB2_cF24_227_a_d:Pr-Ru,6.0,AB2_cF24_227_a_d:Pr-Ru +mp-1220249,Pr14Ag51,-3.4989632734,-0.2467627082,0.0,-0.067457001,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Pr,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Pr, expected Pr14Ag71 to be Pr14Ag51" +mp-861481,Pr2AgRu,-5.5927778375,-0.1755853242,0.0325089263,0.0325089263,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pr-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Pr-Ru +mp-1104937,Pr5Ru2,-6.25593294,-0.1911709607,0.0,-0.0056430291,GGA,C2/c,A5B2_mC28_15_e2f_f:Pr-Ru,14.0,A5B2_mC28_15_e2f_f:Pr-Ru +mp-1072619,PrAg2,-3.7595028483,-0.2774969278,0.0,-0.031767594,GGA,Imma,A2B_oI12_74_h_e:Ag-Pr,6.0,A2B_oI12_74_h_e:Ag-Pr +mp-568654,PrAg2,-3.7541625733,-0.2721566528,0.005340275,-0.026427319,GGA,P6/mmm,A2B_hP3_191_c_b:Ag-Pr,3.0,A2B_hP3_191_c_b:Ag-Pr +mp-2525,PrAg,-4.05100001,-0.2442691308,0.0,-0.036146435,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Pr,2.0,AB_cP2_221_a_b:Ag-Pr +mp-1105741,Pr3Ru,-6.0721135762,-0.167833625,0.0,-0.0005590344,GGA,Pnma,A3B_oP16_62_cd_c:Pr-Ru,16.0,A3B_oP16_62_cd_c:Pr-Ru +mp-1209568,Pr4Ru,-5.400495459,0.279109653,0.413376553,0.413376553,GGA,Fd-3m,A4B_cF40_227_e_a:Pr-Ru,10.0,A4B_cF40_227_e_a:Pr-Ru +mp-1197932,Pr7Ru3,-6.3215604448,-0.1926056542,0.0,-0.0049769314,GGA,Pnma,A7B3_oP40_62_c3d_cd:Pr-Ru,40.0,A7B3_oP40_62_c3d_cd:Pr-Ru +mp-975647,Pr3Ag,-4.28358748,0.0102308371,0.1323654025,0.1323654025,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Pr,4.0,AB3_tI8_139_a_bd:Ag-Pr +mp-1186704,Pr3Ag,-4.2741882475,0.0196300696,0.141764635,0.141764635,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Pr,8.0,AB3_hP8_194_c_h:Ag-Pr +mp-571262,CaRh2,-5.9891324133,-0.41106054,0.0,-0.2840990883,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Rh,6.0,AB2_cF24_227_a_d:Ca-Rh +mp-1214063,Ca5Rh,-3.1282210462,-0.2295031679,0.0,-0.1025417162,GGA,Pnma,A5B_oP24_62_c2d_c:Ca-Rh,24.0,A5B_oP24_62_c2d_c:Ca-Rh +mp-951,CeRh2,-7.6003814033,-0.7131464383,0.0,-0.0324953117,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Rh,6.0,AB2_cF24_227_a_d:Ce-Rh +mp-1018117,CeRh,-7.421627535,-0.7729290225000001,0.0,-0.0980080946,GGA,Cmcm,AB_oC8_63_c_c:Ce-Rh,4.0,AB_oC8_63_c_c:Ce-Rh +mp-1106144,Ce7Rh3,-6.8161105195000005,-0.45365575,0.0101016635,0.0101016635,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Rh,20.0,A7B3_hP20_186_b2c_c:Ce-Rh +mp-1518,CeRh3,-7.64101537,-0.6345121787,0.0,-0.09965235,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Rh,4.0,AB3_cP4_221_a_c:Ce-Rh +mp-680602,Ce5Rh4,-7.2313654528,-0.6621790911000001,0.0248689289,0.0248689289,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ce-Rh,36.0,"Invalid WP multiplicities - A5B4_oP36_62_4c9d_7c5d:Ce-Rh, expected Ce22Rh17 to be Ce5Rh4" +mp-1183467,CaCeRh2,-6.2205822275,-0.5537560337,0.0202756819,0.0202756819,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-Rh +mp-1103692,Ce3Rh2,-7.0910539,-0.585477259,0.032865959,0.032865959,GGA,R-3,A3B2_hR45_148_acf_f:Ce-Rh,15.0,A3B2_hR45_148_acf_f:Ce-Rh +mp-1214055,Ca4Rh,-3.010591456,0.066750022,0.3083570147,0.3083570147,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Rh,10.0,A4B_cF40_227_e_a:Ca-Rh +mp-1063314,Ca2Rh,-4.04575878,-0.2539229033,0.0360993886,0.0360993886,GGA,Fm-3m,A2B_cF12_225_c_a:Ca-Rh,3.0,A2B_cF12_225_c_a:Ca-Rh +mp-12774,ThIr,-9.152103685,-1.02595747,0.0,-0.2699424405,GGA,Cmcm,AB_oC8_63_c_c:Ir-Th,4.0,AB_oC8_63_c_c:Ir-Th +mp-865450,ThGa3,-4.6512646387,-0.5267280594,0.0,-0.0477520669,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Th,8.0,A3B_hP8_194_h_c:Ga-Th +mp-571094,Th7Ir3,-8.504535416,-0.663304387,0.0,-0.047729905,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ir-Th,20.0,"Invalid WP multiplicities - A3B7_hP20_186_c_2b7c:Ir-Th, expected Th23Ir3 to be Th7Ir3" +mp-30669,ThGa,-5.7487514513,-0.527774315,0.0,-0.0251530629,GGA,Pnma,AB_oP16_62_2c_2c:Ga-Th,16.0,AB_oP16_62_2c_2c:Ga-Th +mp-2067,ThGa2,-5.1286514217,-0.6386346567,0.0,-0.1115578454,GGA,I4_1/amd,A2B_tI12_141_e_a:Ga-Th,6.0,A2B_tI12_141_e_a:Ga-Th +mp-11419,ThGa2,-5.1281975033,-0.6381807383,0.0004539183,-0.1111039271,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Th,3.0,A2B_hP3_191_c_b:Ga-Th +mp-312,ThIr5,-9.0467150133,-0.445710155,0.0,-0.0290732058,GGA,P6/mmm,A5B_hP6_191_cg_a:Ir-Th,6.0,A5B_hP6_191_cg_a:Ir-Th +mp-1079844,ThGaIr,-7.3562354467,-0.9294392958,0.0,-0.1408639905,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ir-Th,9.0,ABC_hP9_189_f_bc_g:Ga-Ir-Th +mp-30670,Th3Ga2,-6.069453202,-0.409899843,0.0211745915,0.0211745915,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ga-Th,10.0,A2B3_tP10_127_g_ah:Ga-Th +mp-568411,Th2Ga,-6.318545355,-0.3666078475,0.0,-0.0147583042,GGA,I4/mcm,AB2_tI12_140_a_h:Ga-Th,6.0,AB2_tI12_140_a_h:Ga-Th +mp-1187,ThIr2,-9.196849435,-0.8332738983,0.0,-0.0974400858,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Th,6.0,A2B_cF24_227_c_b:Ir-Th +mp-1208347,Th4Ir,-7.536734554,0.162038882,0.6042418067,0.6042418067,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Th,10.0,AB4_cF40_227_a_e:Ir-Th +mp-1095723,BeGeRh2,-3.49559045,2.277173665,2.85364622,2.85364622,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ge-Rh,4.0,ABC2_oI8_71_a_b_e:Be-Ge-Rh +mp-1216558,Tl3In,-2.44894413,0.0109591625,0.0109591625,0.0109591625,GGA,Cmmm,AB3_oC8_65_b_ck:In-Tl,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:In-Tl, expected Tl5In to be Tl3In" +mp-1187638,Tl3In,-2.4284859875,0.031417305,0.031417305,0.031417305,GGA,Pm-3m,AB3_cP4_221_a_c:In-Tl,4.0,AB3_cP4_221_a_c:In-Tl +mp-1216611,TlIn3,-2.6387218375,0.0157017467,0.0157017467,0.0157017467,GGA,P4/mmm,A3B_tP4_123_ah_b:In-Tl,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:In-Tl, expected TlIn5 to be TlIn3" +mp-1187742,TlIn3,-2.6183132175,0.0361103667,0.0361103667,0.0361103667,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Tl,4.0,A3B_tI8_139_ad_b:In-Tl +mp-1187827,TlIn3,-2.6093160163,0.0451075679,0.0451075679,0.0451075679,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Tl,8.0,A3B_hP8_194_h_c:In-Tl +mp-1185194,La2TlIn,-4.206832945,-0.4602476733,0.003410505,0.003410505,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-La-Tl,4.0,AB2C_cF16_225_a_c_b:In-La-Tl +mp-1216527,TlIn,-2.51984286,0.0373205783,0.0373205783,0.0373205783,GGA,R-3m,AB_hR6_166_a_b:In-Tl,2.0,AB_hR6_166_a_b:In-Tl +mp-1215860,Yb(LuSe2)2,-5.6912686171,-2.1819607271,0.00446476,0.00446476,GGA,P2/m,A2B4C_mP7_10_bd_mn_c:Lu-Se-Yb,,"Invalid WP multiplicities - A2B4C_mP7_10_ce_2m2n_b:Lu-Se-Yb, expected Yb(LuSe4)2 to be Yb(LuSe2)2" +mp-542601,Yb3Se4,-4.4961309886,-1.8386351671,0.1514532125,0.1514532125,GGA,Pnma,A4B3_oP28_62_4c_3c:Se-Yb,,A4B3_oP28_62_4c_3c:Se-Yb +mp-1215699,Yb3Se4,-4.3753994171,-1.7179035956000002,0.272184784,0.272184784,GGA,Cmmm,A4B3_oC14_65_gj_af:Se-Yb,,"Invalid WP multiplicities - A4B3_oC14_65_2g2j_a2f:Se-Yb, expected Yb5Se8 to be Yb3Se4" +mp-1216180,Yb29Se32,-4.6816798098,-2.1158141147,0.0917702627,0.0917702627,GGA,I4/mmm,A32B29_tI122_139_2egijmn_acefh2n:Se-Yb,,"Invalid WP multiplicities - A32B29_tI122_139_4e4g4i4jm8n_a2c2e4f4h10n:Se-Yb, expected Yb121Se128 to be Yb29Se32" +mp-1018793,LuSe2,-5.6126940350000005,-1.7751028766,0.0018035996,0.0018035996,GGA,P4/nmm,AB2_tP6_129_c_ac:Lu-Se,6.0,AB2_tP6_129_c_ac:Lu-Se +mp-1189125,Lu2Se3,-6.038214866,-2.1322877714,0.0,-0.338779361,GGA,Fddd,A2B3_oF80_70_2e_fh:Lu-Se,20.0,A2B3_oF80_70_2e_fh:Lu-Se +mp-673650,Lu2Se3,-5.927844608,-2.0219175134,0.110370258,-0.228409103,GGA,I-42d,A2B3_tI80_122_cde_3e:Lu-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_11e:Lu-Se, expected Lu17Se22 to be Lu2Se3" +mp-1077033,YbSe2,-4.36517835,-1.5213679382,0.0264785792,0.0264785792,GGA,P4/nmm,A2B_tP6_129_ac_c:Se-Yb,,A2B_tP6_129_ac_c:Se-Yb +mp-1187999,Yb3Lu,-2.1452768863,0.1396669538,0.1396669538,0.1396669538,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Yb,,AB3_hP8_194_c_h:Lu-Yb +mp-7208,Yb2Se3,-4.361103974,-1.6477137754,0.2097020455,0.2097020455,GGA,Fddd,A3B2_oF80_70_eh_2f:Se-Yb,,A3B2_oF80_70_eh_2f:Se-Yb +mp-1188185,Yb2Se3,-4.3141431045,-1.6007529059,0.256662915,0.256662915,GGA,Fddd,A3B2_oF80_70_eh_2f:Se-Yb,,A3B2_oF80_70_eh_2f:Se-Yb +mp-684694,Yb2Se3,-4.4992233015,-1.7858331029,0.071582718,0.071582718,GGA,I-42d,A3B2_tI80_122_3e_cde:Se-Yb,,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d6e:Se-Yb, expected Yb5Se8 to be Yb2Se3" +mp-1215799,Yb5Se7,-4.5390950133,-1.858309868,0.0764982788,0.0764982788,GGA,C2/m,A7B5_mC24_12_a3i_d2i:Se-Yb,,A7B5_mC24_12_a3i_d2i:Se-Yb +mp-684686,Yb43Se45,-4.624110978,-2.084120381,0.1848819003,0.1848819003,GGA,Pm,A45B43_mP88_6_10a11b12c_9a10b12c:Se-Yb,,"Invalid WP multiplicities - A45B43_mP88_6_10a11b24c_9a10b24c:Se-Yb, expected Yb67Se69 to be Yb43Se45" +mp-10648,YbSe,-4.6966640775,-2.1789041987,0.1428655775,-0.1410976039,GGA,P6_3/mmc,AB_hP4_194_c_d:Se-Yb,,AB_hP4_194_c_d:Se-Yb +mp-286,YbSe,-4.839529655,-2.3217697762,0.0,-0.2839631814,GGA,Fm-3m,AB_cF8_225_a_b:Se-Yb,,AB_cF8_225_a_b:Se-Yb +mp-414,LuSe,-5.82954771,-1.8211167112,0.0,-0.044210235,GGA,Fm-3m,AB_cF8_225_a_b:Lu-Se,2.0,AB_cF8_225_a_b:Lu-Se +mp-1096561,Zr2CuTc,-4.75120025,3.1376114688,3.4074374775000003,3.3434710426,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Tc-Zr +mp-1232423,Zr2CuTc,-8.1586377275,-0.2698260087,0.0,-0.0639664349,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Cu-Tc-Zr +mp-1095545,ZrTc2,-10.0712027442,-0.3148765708,0.0,-0.3148765708,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Tc-Zr,12.0,A2B_hP12_194_ah_f:Tc-Zr +mp-11422,GdHg,-7.700589225,-0.5106879225000001,0.0,-0.2615746575,GGA,Pm-3m,AB_cP2_221_a_b:Gd-Hg,2.0,AB_cP2_221_a_b:Gd-Hg +mp-2012,LiHg,-1.480105735,-0.3738041192,0.0,-0.1440213537,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Li,2.0,AB_cP2_221_a_b:Hg-Li +mp-1185337,LiHg3,-0.8814597475,-0.1764687571,0.0104333025,0.0104333025,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Li,4.0,A3B_tI8_139_ad_b:Hg-Li +mp-1079267,LiHg3,-0.8846154025,-0.1796244121,0.0072776475,0.0072776475,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Li,8.0,A3B_hP8_194_h_c:Hg-Li +mp-976599,LiHg3,-0.8730163999999999,-0.1680254096,0.01887665,0.01887665,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Li,4.0,A3B_cP4_221_c_a:Hg-Li +mp-973824,LiHg3,-0.8774097075,-0.1724187171,0.0144833425,0.0144833425,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Li,4.0,A3B_cF16_225_ac_b:Hg-Li +mp-1078842,GdHg3,-4.1204607312,-0.3736698975,0.0,-0.1183259362,GGA,P6_3/mmc,AB3_hP8_194_c_h:Gd-Hg,8.0,AB3_hP8_194_c_h:Gd-Hg +mp-867969,LiGdHg2,-4.589488925,-0.4413874658,0.000858555,0.000858555,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Li +mp-976047,Li3Hg,-1.78494524,-0.2773329988,0.00260812,-0.0904309392,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Li,4.0,AB3_tI8_139_a_bd:Hg-Li +mp-1185205,Li3Hg,-1.7770434038,-0.2694311625,0.0105099562,-0.0825291029,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Li,8.0,AB3_hP8_194_c_h:Hg-Li +mp-1646,Li3Hg,-1.78755336,-0.2799411188,0.0,-0.0930390592,GGA,Fm-3m,AB3_cF16_225_a_bc:Hg-Li,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Hg-Li, expected Li5Hg to be Li3Hg" +mp-22146,In3Pd5,-4.7907739525,-0.5214664225,0.0,-0.0105674094,GGA,Pbam,A3B5_oP16_55_ah_cgh:In-Pd,16.0,"Invalid WP multiplicities - A3B5_oP16_55_a2h_c2g3h:In-Pd, expected In5Pd11 to be In3Pd5" +mp-2606,BaPd5,-4.9754959083,-0.3390985767,0.0,-0.0502032858,GGA,P6/mmm,AB5_hP6_191_a_cg:Ba-Pd,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ba-Pd, expected BaPd8 to be BaPd5" +mp-22141,BaIn2,-2.9560346767,-0.4819205433,0.0,-0.0991395211,GGA,Imma,AB2_oI12_74_e_h:Ba-In,6.0,AB2_oI12_74_e_h:Ba-In +mp-21215,InPd,-4.461230755,-0.495447985,0.0,-0.0065895494,GGA,Pm-3m,AB_cP2_221_a_b:In-Pd,2.0,AB_cP2_221_a_b:In-Pd +mp-1025520,BaIn2Pd,-3.7205305412,-0.5699744888,0.0,-0.0646857515,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ba-In-Pd,8.0,AB2C_oC16_63_c_f_c:Ba-In-Pd +mp-22646,InPd2,-4.8865318058,-0.5160493558,0.0,-0.0149908712,GGA,Pnma,AB2_oP12_62_c_2c:In-Pd,12.0,AB2_oP12_62_c_2c:In-Pd +mp-1687,BaPd2,-4.670703435,-0.5777905817,0.0,-0.1364274746,GGA,Fd-3m,AB2_cF24_227_a_d:Ba-Pd,6.0,AB2_cF24_227_a_d:Ba-Pd +mp-1214438,Ba4Pd,-2.635119741,-0.063963427,0.1545320995,0.1545320995,GGA,Fd-3m,A4B_cF40_227_e_a:Ba-Pd,10.0,A4B_cF40_227_e_a:Ba-Pd +mp-31509,BaIn,-2.7554651925,-0.4201358575,0.0,-0.0286253488,GGA,Cmcm,AB_oC16_63_2c_g:Ba-In,8.0,AB_oC16_63_2c_g:Ba-In +mp-1008505,BaPd,-4.0930560125,-0.5436276375,0.0,-0.0726527413,GGA,Cmcm,AB_oC8_63_c_c:Ba-Pd,4.0,AB_oC8_63_c_c:Ba-Pd +mp-1064367,BaPd,-4.08872829,-0.5392999150000001,0.0043277225,-0.0683250188,GGA,P6_3/mmc,AB_hP4_194_c_a:Ba-Pd,4.0,AB_hP4_194_c_a:Ba-Pd +mp-1102396,Ba2In,-2.4976450108,-0.3011004742,0.0007876922,0.0007876922,GGA,Pnma,A2B_oP12_62_2c_c:Ba-In,12.0,A2B_oP12_62_2c_c:Ba-In +mp-568655,In7Pd3,-3.877324521,-0.397181367,0.0,-0.0501023325,GGA,Im-3m,A7B3_cI40_229_df_e:In-Pd,20.0,"Invalid WP multiplicities - A7B3_cI40_229_5d4f_e:In-Pd, expected In31Pd3 to be In7Pd3" +mp-22687,BaIn4,-2.938039126,-0.352897154,0.0,-0.063744828,GGA,I4/mmm,AB4_tI10_139_a_de:Ba-In,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_2de:Ba-In, expected BaIn6 to be BaIn4" +mp-1185043,In3Pd,-3.44040128,-0.08166803,0.2493164425,0.2493164425,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Pd,8.0,A3B_hP8_194_h_c:In-Pd +mp-1184826,In3Pd,-3.4335126725,-0.0747794225,0.25620505,0.25620505,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pd,4.0,A3B_cP4_221_c_a:In-Pd +mp-510436,InPd3,-5.00708417,-0.43425188,0.0259907288,-0.0472148631,GGA,P4/mmm,AB3_tP4_123_a_ce:In-Pd,4.0,AB3_tP4_123_a_ce:In-Pd +mp-1223699,InPd3,-4.9221765525,-0.3493442625,0.1108983462,0.0376927544,GGA,P4/mmm,AB3_tP4_123_a_bh:In-Pd,4.0,AB3_tP4_123_a_bh:In-Pd +mp-1007664,InPd3,-5.0273090175,-0.4544767275,0.0057658812,-0.0674397106,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Pd,4.0,AB3_tI8_139_a_bd:In-Pd +mp-1078721,InPd3,-5.0330748987,-0.4602426087,0.0,-0.0732055919,GGA,I4/mmm,AB3_tI16_139_e_cde:In-Pd,8.0,AB3_tI16_139_e_cde:In-Pd +mp-1223702,InPd3,-4.71913284,-0.14630055,0.3139420587,0.2407364669,GGA,R-3m,AB3_hR12_166_a_bc:In-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:In-Pd, expected InPd5 to be InPd3" +mp-31337,InPd3,-5.0082097075,-0.4353774175,0.0248651912,-0.0483404006,GGA,Pm-3m,AB3_cP4_221_a_c:In-Pd,4.0,AB3_cP4_221_a_c:In-Pd +mp-1103028,Ba2Pd,-3.3701031075,-0.3641592108,0.0,-0.0017407858,GGA,Pnma,A2B_oP12_62_2c_c:Ba-Pd,12.0,A2B_oP12_62_2c_c:Ba-Pd +mp-510437,In3Pd2,-4.185735008,-0.462772046,0.0,-0.01645737,GGA,P-3m1,A3B2_hP5_164_ad_d:In-Pd,5.0,A3B2_hP5_164_ad_d:In-Pd +mp-1105101,Ba9In4,-2.4588892431,-0.2836962138,0.0,-0.0057573146,GGA,I4/m,A9B4_tI26_87_a2h_h:Ba-In,13.0,A9B4_tI26_87_a2h_h:Ba-In +mp-1186396,PaGaPt2,-6.9706153575,-0.7993585269,0.0102802792,0.0102802792,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Pa-Pt,4.0,ABC2_cF16_225_a_b_c:Ga-Pa-Pt +mp-1186416,PaGa3,-5.0111647937,-0.3614266119,0.0169988037,-0.3614266119,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Pa,8.0,A3B_hP8_194_h_c:Ga-Pa +mp-861982,PaGa3,-5.0281635975,-0.3784254156,0.0,-0.3784254156,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Pa,4.0,A3B_cP4_221_c_a:Ga-Pa +mp-1077534,PaPt5,-7.3919132583,-0.7468580483,0.0,-0.0633610475,GGA,F-43m,AB5_cF24_216_a_ce:Pa-Pt,6.0,AB5_cF24_216_a_ce:Pa-Pt +mp-862858,PaPt3,-7.9572616562,-1.0252455013,0.0,-0.3530732577,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Pt,8.0,AB3_hP8_194_c_h:Pa-Pt +mp-13494,Nd3Fe29,-8.0799039956,0.0430665477,0.0430665477,0.0430665477,GGA,C2/m,A29B3_mC64_12_ceg4i4j_bi:Fe-Nd,32.0,"Invalid WP multiplicities - A29B3_mC64_12_aeh4i5j_ci:Fe-Nd, expected NdFe11 to be Nd3Fe29" +mp-1184272,Fe3Au,-7.0290712625,0.141915145,0.141915145,0.141915145,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Fe,4.0,AB3_tI8_139_a_bd:Au-Fe +mp-1184413,Fe3Au,-7.0174248388,0.1535615688,0.1535615688,0.1535615688,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Fe,8.0,AB3_hP8_194_c_h:Au-Fe +mp-1210178,Nd4Fe,-5.079226178,0.42929601,0.42929601,0.42929601,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Nd,10.0,AB4_cF40_227_a_e:Fe-Nd +mp-866076,NdAu3,-4.2977435387,-0.6502951806,0.0279581917,0.0279581917,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Nd,8.0,A3B_hP8_194_h_c:Au-Nd +mp-975073,NdAu3,-4.2831497875,-0.6357014294000001,0.042551943,0.042551943,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Nd,4.0,A3B_cF16_225_ac_b:Au-Nd +mp-1220890,Nd14Au51,-4.2303025229,-0.6345787375,0.0,-0.0601737072,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Nd,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Nd, expected Nd14Au71 to be Nd14Au51" +mp-1102098,Nd2Au,-4.8223480592,-0.5522891042,0.0,-0.0134266025,GGA,Pnma,AB2_oP12_62_c_2c:Au-Nd,12.0,AB2_oP12_62_c_2c:Au-Nd +mp-12788,Nd3Au4,-4.7230048086,-0.8087233375,0.0,-0.0166756103,GGA,R-3,A4B3_hR42_148_abf_f:Au-Nd,14.0,A4B3_hR42_148_abf_f:Au-Nd +mp-1080709,NdAu,-4.8293084687,-0.8082937525,0.0,-0.076500685,GGA,Pnma,AB_oP8_62_c_c:Au-Nd,8.0,AB_oP8_62_c_c:Au-Nd +mp-999338,NdAu,-4.8278799275,-0.8068652112,0.0014285413,-0.0750721437,GGA,Cmcm,AB_oC8_63_c_c:Au-Nd,4.0,AB_oC8_63_c_c:Au-Nd +mp-11254,NdAu,-4.776239445,-0.7552247288,0.0530690238,-0.0234316613,GGA,Pm-3m,AB_cP2_221_a_b:Au-Nd,2.0,AB_cP2_221_a_b:Au-Nd +mp-1207,NdFe2,-7.15514207,0.0809212142,0.0809212142,0.0809212142,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Nd,6.0,A2B_cF24_227_c_b:Fe-Nd +mp-973557,FeAu3,-4.41924243,0.1536743725,0.1536743725,0.1536743725,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Fe,4.0,A3B_cF16_225_ac_b:Au-Fe +mp-567586,Nd17Au36,-4.5207001108,-0.7675254249,0.0,-0.046873661,GGA,P4/nmm,A36B17_tP106_129_3i2j2k_a2cd2ij:Au-Nd,106.0,"Invalid WP multiplicities - A36B17_tP106_129_23i16j25k_2a4c3d14i7j:Au-Nd, expected Nd24Au89 to be Nd17Au36" +mp-11382,NdFe5,-7.8133772317,0.0396650154,0.0396650154,0.0396650154,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Nd,6.0,A5B_hP6_191_cg_a:Fe-Nd +mp-1203126,Nd6Fe13Au,-7.1728858027,-0.0732336865,0.0096096791,0.0096096791,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Au-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Au-Fe-Nd +mp-1025126,MgSi2,-3.9919453667,0.1583600033,0.2227227067,0.2227227067,GGA,Imma,AB2_oI12_74_e_h:Mg-Si,6.0,AB2_oI12_74_e_h:Mg-Si +mp-1100459,MgSi2,-3.939053895,0.211251475,0.2756141783,0.2756141783,GGA,Imma,AB2_oI12_74_e_h:Mg-Si,6.0,AB2_oC6_65_a_h:Mg-Si +mp-1257615,MgSi2,-3.9042710625,0.2460343075,0.3103970108,0.3103970108,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Si,12.0,AB2_mC6_12_a_i:Mg-Si +mp-1073325,MgSi2,-4.0243823767,0.1259229933,0.1902856967,0.1902856967,GGA,P-3m1,AB2_hP3_164_a_d:Mg-Si,3.0,AB2_hP3_164_a_d:Mg-Si +mp-1073456,MgSi2,-4.0295269583,0.1207784117,0.185141115,0.185141115,GGA,R-3m,AB2_hR18_166_c_2c:Mg-Si,6.0,"Invalid WP multiplicities - AB2_hR18_166_c_4c:Mg-Si, expected MgSi4 to be MgSi2" +mp-1073501,MgSi2,-4.0727003733,0.0776049967,0.1419677,0.1419677,GGA,R-3m,AB2_hR9_166_a_c:Mg-Si,3.0,AB2_hR9_166_a_c:Mg-Si +mp-1072984,Mg2Si3,-3.723953024,0.171349814,0.248585058,0.248585058,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1072996,Mg2Si3,-3.7244287765,0.1708740615,0.2481093055,0.2481093055,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1072989,Mg2Si3,-3.7464519455,0.1488508925,0.2260861365,0.2260861365,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073012,Mg2Si3,-3.7380273355,0.1572755025,0.2345107465,0.2345107465,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073015,Mg2Si3,-3.7226557755,0.1726470625,0.2498823065,0.2498823065,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073037,Mg2Si3,-3.7630051785,0.1322976595,0.2095329035,0.2095329035,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073021,Mg2Si3,-3.7498147625,0.1454880755,0.2227233195,0.2227233195,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073041,Mg2Si3,-3.748424369,0.146878469,0.224113713,0.224113713,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073075,Mg2Si3,-3.626066357,0.269236481,0.346471725,0.346471725,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073089,Mg2Si3,-3.7200093215,0.1752935165,0.2525287605,0.2525287605,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073061,Mg2Si3,-3.7025328845,0.1927699535,0.2700051975,0.2700051975,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073122,Mg2Si3,-3.7054532175,0.1898496205,0.2670848645,0.2670848645,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073121,Mg2Si3,-3.7262194605,0.1690833775,0.2463186215,0.2463186215,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073130,Mg2Si3,-3.6494367565,0.2458660815,0.3231013255,0.3231013255,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073134,Mg2Si3,-3.7179279695,0.1773748685,0.2546101125,0.2546101125,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073146,Mg2Si3,-3.6998113295,0.1954915085,0.2727267525,0.2727267525,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073166,Mg2Si3,-3.734276757,0.161026081,0.238261325,0.238261325,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073164,Mg2Si3,-3.81604994,0.079252898,0.156488142,0.156488142,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073210,Mg2Si3,-3.637590072,0.257712766,0.33494801,0.33494801,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1073232,Mg2Si3,-3.759420324,0.135882514,0.213117758,0.213117758,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1262335,Mg2Si3,-3.697111015,0.198191823,0.275427067,0.275427067,GGA,P1,A2B3_aP20_1_8a_12a:Mg-Si,20.0,A2B3_aP20_1_8a_12a:Mg-Si +mp-1072992,Mg2Si3,-3.673789087,0.221513751,0.298748995,0.298748995,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1072994,Mg2Si3,-3.781472431,0.113830407,0.191065651,0.191065651,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,"Invalid WP multiplicities - A2B3_aP10_2_4i_7i:Mg-Si, expected Mg4Si7 to be Mg2Si3" +mp-1073016,Mg2Si3,-3.790889153,0.104413685,0.181648929,0.181648929,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_aP10_2_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073035,Mg2Si3,-3.765342515,0.129960323,0.207195567,0.207195567,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_aP10_2_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073045,Mg2Si3,-3.754648729,0.140654109,0.217889353,0.217889353,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1073059,Mg2Si3,-3.7660703395,0.1292324985,0.2064677425,0.2064677425,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,"Invalid WP multiplicities - A2B3_aP20_2_4i_7i:Mg-Si, expected Mg4Si7 to be Mg2Si3" +mp-1073065,Mg2Si3,-3.756697495,0.138605343,0.215840587,0.215840587,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1073116,Mg2Si3,-3.720625406,0.174677432,0.251912676,0.251912676,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_aP10_2_3i_4i:Mg-Si, expected Mg3Si4 to be Mg2Si3" +mp-1073154,Mg2Si3,-3.7562816575,0.1390211805,0.2162564245,0.2162564245,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,"Invalid WP multiplicities - A2B3_aP20_2_4i_7i:Mg-Si, expected Mg4Si7 to be Mg2Si3" +mp-1073157,Mg2Si3,-3.70842839,0.186874448,0.264109692,0.264109692,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1073181,Mg2Si3,-3.703731528,0.19157131,0.268806554,0.268806554,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,A2B3_aP20_2_8i_12i:Mg-Si +mp-1073199,Mg2Si3,-3.723078788,0.17222405,0.249459294,0.249459294,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,A2B3_aP20_2_8i_12i:Mg-Si +mp-1073201,Mg2Si3,-3.6996287965,0.1956740415,0.2729092855,0.2729092855,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,A2B3_aP20_2_8i_12i:Mg-Si +mp-1073208,Mg2Si3,-3.702071625,0.193231213,0.270466457,0.270466457,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,A2B3_aP20_2_4i_6i:Mg-Si +mp-1073308,Mg2Si3,-3.741010276,0.154292562,0.231527806,0.231527806,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_aP10_2_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073438,Mg2Si3,-3.6799209215,0.2153819165,0.2926171605,0.2926171605,GGA,P-1,A2B3_aP20_2_4i_6i:Mg-Si,20.0,A2B3_aP20_2_8i_12i:Mg-Si +mp-1073236,Mg2Si3,-3.730208834,0.165094004,0.242329248,0.242329248,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1073256,Mg2Si3,-3.795219393,0.100083445,0.177318689,0.177318689,GGA,P-1,A2B3_aP10_2_2i_3i:Mg-Si,10.0,A2B3_aP10_2_2i_3i:Mg-Si +mp-1072993,Mg2Si3,-3.757307079,0.137995759,0.215231003,0.215231003,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1073003,Mg2Si3,-3.7679212765,0.1273815615,0.2046168055,0.2046168055,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1073033,Mg2Si3,-3.746541337,0.148761501,0.225996745,0.225996745,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1073043,Mg2Si3,-3.7371349735,0.1581678645,0.2354031085,0.2354031085,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1073100,Mg2Si3,-3.770240589,0.125062249,0.202297493,0.202297493,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1073176,Mg2Si3,-3.778877594,0.116425244,0.193660488,0.193660488,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1259056,Mg2Si3,-3.7281060855,0.1671967525,0.2444319965,0.2444319965,GGA,Cm,A2B3_mC40_8_8a_12a:Mg-Si,20.0,A2B3_mC40_8_8a_12a:Mg-Si +mp-1072988,Mg2Si3,-3.7555983985,0.1397044395,0.2169396835,0.2169396835,GGA,C2/m,A2B3_mC40_12_4i_6i:Mg-Si,20.0,A2B3_mC40_12_8i_12i:Mg-Si +mp-1073013,Mg2Si3,-3.751719716,0.143583122,0.220818366,0.220818366,GGA,C2/m,A2B3_mC40_12_4i_6i:Mg-Si,20.0,A2B3_mC40_12_4i_6i:Mg-Si +mp-1073070,Mg2Si3,-3.792163388,0.10313945,0.180374694,0.180374694,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_mC20_12_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073083,Mg2Si3,-3.733879373,0.161423465,0.238658709,0.238658709,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_mC20_12_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073115,Mg2Si3,-3.766512949,0.128789889,0.206025133,0.206025133,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_mC20_12_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073114,Mg2Si3,-3.792113661,0.103189177,0.180424421,0.180424421,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,A2B3_mC20_12_2i_3i:Mg-Si +mp-1073136,Mg2Si3,-3.713764781,0.181538057,0.258773301,0.258773301,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,A2B3_mC20_12_2i_3i:Mg-Si +mp-1073227,Mg2Si3,-3.71722074,0.178082098,0.255317342,0.255317342,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,10.0,"Invalid WP multiplicities - A2B3_mC20_12_2i_4i:Mg-Si, expected MgSi2 to be Mg2Si3" +mp-1073224,Mg2Si3,-3.7618566605,0.1334461775,0.2106814215,0.2106814215,GGA,C2/m,A2B3_mC40_12_4i_6i:Mg-Si,20.0,A2B3_mC40_12_8i_12i:Mg-Si +mp-1267863,Mg2Si3,-3.736157325,0.159145513,0.236380757,0.236380757,GGA,C2/m,A2B3_mC20_12_2i_3i:Mg-Si,20.0,A2B3_mC20_12_4i_6i:Mg-Si +mp-1262925,Mg2Si3,-3.71408541,0.181217428,0.258452672,0.258452672,GGA,C2/m,A2B3_mC40_12_4i_6i:Mg-Si,20.0,A2B3_mC40_12_4i_6i:Mg-Si +mp-1073877,Mg6Si5,-3.1821218191,0.1568118582,0.2621326455,0.2621326455,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073903,Mg6Si5,-3.2887775032,0.0501561741,0.1554769614,0.1554769614,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073910,Mg6Si5,-3.3058805055,0.0330531718,0.1383739591,0.1383739591,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073904,Mg6Si5,-3.2482260564,0.0907076209,0.1960284082,0.1960284082,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073916,Mg6Si5,-3.2240999,0.1148337773,0.2201545645,0.2201545645,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073919,Mg6Si5,-3.2259318345,0.1130018427,0.21832263,0.21832263,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073915,Mg6Si5,-3.2178794195,0.1210542577,0.226375045,0.226375045,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073900,Mg6Si5,-3.2210561586,0.1178775186,0.2231983059,0.2231983059,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073927,Mg6Si5,-3.2456653259,0.0932683514,0.1985891386,0.1985891386,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073933,Mg6Si5,-3.23136881,0.1075648673,0.2128856545,0.2128856545,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073934,Mg6Si5,-3.2321480159,0.1067856614,0.2121064486,0.2121064486,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073935,Mg6Si5,-3.2826440345,0.0562896427,0.16161043,0.16161043,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073940,Mg6Si5,-3.2479161432,0.0910175341,0.1963383214,0.1963383214,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073917,Mg6Si5,-3.2555476436,0.0833860336,0.1887068209,0.1887068209,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073929,Mg6Si5,-3.1991024836,0.1398311936,0.2451519809,0.2451519809,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073958,Mg6Si5,-3.2173324818,0.1216011955,0.2269219827,0.2269219827,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073950,Mg6Si5,-3.2056865295,0.1332471477,0.238567935,0.238567935,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073962,Mg6Si5,-3.2029338173,0.13599986,0.2413206473,0.2413206473,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073996,Mg6Si5,-3.2129972377,0.1259364395,0.2312572268,0.2312572268,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073998,Mg6Si5,-3.1584743959,0.1804592814,0.2857800686,0.2857800686,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1074007,Mg6Si5,-3.2118085732,0.1271251041,0.2324458914,0.2324458914,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1074011,Mg6Si5,-3.2210493614,0.1178843159,0.2232051032,0.2232051032,GGA,P1,A6B5_aP22_1_12a_10a:Mg-Si,22.0,A6B5_aP22_1_12a_10a:Mg-Si +mp-1073909,Mg6Si5,-3.2808476023,0.058086075,0.1634068623,0.1634068623,GGA,Pm,A6B5_mP22_6_6a6b_5a5b:Mg-Si,22.0,A6B5_mP22_6_6a6b_5a5b:Mg-Si +mp-1073921,Mg6Si5,-3.3003382927,0.0385953845,0.1439161718,0.1439161718,GGA,Pm,A6B5_mP22_6_6a6b_5a5b:Mg-Si,22.0,A6B5_mP22_6_6a6b_5a5b:Mg-Si +mp-1073908,Mg6Si5,-3.2319250155,0.1070086618,0.2123294491,0.2123294491,GGA,Pm,A6B5_mP22_6_5a7b_7a3b:Mg-Si,22.0,A6B5_mP22_6_5a7b_7a3b:Mg-Si +mp-1073911,Mg6Si5,-3.2634664455,0.0754672318,0.1807880191,0.1807880191,GGA,Pm,A6B5_mP22_6_6a6b_4a6b:Mg-Si,22.0,A6B5_mP22_6_6a6b_4a6b:Mg-Si +mp-1073926,Mg6Si5,-3.2243170009,0.1146166764,0.2199374636,0.2199374636,GGA,Pm,A6B5_mP22_6_5a7b_7a3b:Mg-Si,22.0,A6B5_mP22_6_5a7b_7a3b:Mg-Si +mp-1073992,Mg6Si5,-3.2276807545,0.1112529227,0.21657371,0.21657371,GGA,Pm,A6B5_mP22_6_5a7b_7a3b:Mg-Si,22.0,A6B5_mP22_6_5a7b_7a3b:Mg-Si +mp-1073876,Mg6Si5,-3.1878387764,0.1510949009,0.2564156882,0.2564156882,GGA,Cm,A6B5_mC44_8_12a_10a:Mg-Si,22.0,A6B5_mC44_8_12a_10a:Mg-Si +mp-1073686,MgSi,-3.4261967292,0.0866023108,0.1831463658,0.1831463658,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073702,MgSi,-3.4047329079,0.1080661321,0.2046101871,0.2046101871,GGA,P1,AB_aP24_1_12a_12a:Mg-Si,24.0,AB_aP24_1_12a_12a:Mg-Si +mp-1073695,MgSi,-3.4351351342,0.0776639058,0.1742079608,0.1742079608,GGA,P1,AB_aP24_1_12a_12a:Mg-Si,24.0,AB_aP24_1_12a_12a:Mg-Si +mp-1073720,MgSi,-3.3544888958,0.1583101442,0.2548541992,0.2548541992,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073734,MgSi,-3.4194387917,0.0933602483,0.1899043033,0.1899043033,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073730,MgSi,-3.375283705,0.137515335,0.23405939,0.23405939,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073750,MgSi,-3.4565801379,0.0562189021,0.1527629571,0.1527629571,GGA,P1,AB_aP24_1_12a_12a:Mg-Si,24.0,AB_aP24_1_12a_12a:Mg-Si +mp-1073785,MgSi,-3.3991187667,0.1136802733,0.2102243283,0.2102243283,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073809,MgSi,-3.3987702575,0.1140287825,0.2105728375,0.2105728375,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073822,MgSi,-3.3988932783,0.1139057617,0.2104498167,0.2104498167,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073733,MgSi,-3.3255336733,0.1872653667,0.2838094217,0.2838094217,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073819,MgSi,-3.4017540175,0.1110450225,0.2075890775,0.2075890775,GGA,P1,AB_aP24_1_12a_12a:Mg-Si,24.0,AB_aP24_1_12a_12a:Mg-Si +mp-1073857,MgSi,-3.4442390067,0.0685600333,0.1651040883,0.1651040883,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073861,MgSi,-3.3962343592,0.1165646808,0.2131087358,0.2131087358,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073816,MgSi,-3.4334234508,0.0793755892,0.1759196442,0.1759196442,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1073859,MgSi,-3.3586360292,0.1541630108,0.2507070658,0.2507070658,GGA,P1,AB_aP12_1_6a_6a:Mg-Si,12.0,AB_aP12_1_6a_6a:Mg-Si +mp-1073721,MgSi,-3.4443225396,0.0684765004,0.1650205554,0.1650205554,GGA,P1,AB_aP24_1_12a_12a:Mg-Si,24.0,AB_aP24_1_12a_12a:Mg-Si +mp-1073688,MgSi,-3.403156095,0.109642945,0.2061869999999999,0.2061869999999999,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1073754,MgSi,-3.4339792154,0.0788198246,0.1753638796,0.1753638796,GGA,P-1,AB_aP24_2_6i_6i:Mg-Si,24.0,AB_aP24_2_12i_12i:Mg-Si +mp-1073735,MgSi,-3.3876268908,0.1251721492,0.2217162042,0.2217162042,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_4i_5i:Mg-Si, expected Mg4Si5 to be MgSi" +mp-1073743,MgSi,-3.3978243092,0.1149747308,0.2115187858,0.2115187858,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,AB_aP12_2_5i_5i:Mg-Si +mp-1073780,MgSi,-3.4440598033,0.0687392367,0.1652832917,0.1652832917,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073799,MgSi,-3.4656349025,0.0471641375,0.1437081925,0.1437081925,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_4i_5i:Mg-Si, expected Mg4Si5 to be MgSi" +mp-1073829,MgSi,-3.4251121458,0.0876868942,0.1842309492,0.1842309492,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073823,MgSi,-3.3856382442,0.1271607958,0.2237048508,0.2237048508,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1073862,MgSi,-3.4582693083,0.0545297317,0.1510737867,0.1510737867,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073864,MgSi,-3.4302579142000003,0.0825411258,0.1790851808,0.1790851808,GGA,P-1,AB_aP24_2_6i_6i:Mg-Si,24.0,AB_aP24_2_12i_12i:Mg-Si +mp-1073812,MgSi,-3.4191064783,0.0936925617,0.1902366167,0.1902366167,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,AB_aP12_2_6i_6i:Mg-Si +mp-1073852,MgSi,-3.4052141142,0.1075849258,0.2041289808,0.2041289808,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,AB_aP12_2_6i_6i:Mg-Si +mp-1073820,MgSi,-3.4407016433,0.0720973967,0.1686414517,0.1686414517,GGA,P-1,AB_aP24_2_6i_6i:Mg-Si,24.0,"Invalid WP multiplicities - AB_aP24_2_11i_12i:Mg-Si, expected Mg11Si12 to be MgSi" +mp-1100454,MgSi,-3.4280057662,0.0847932737,0.1813373288,0.1813373288,GGA,P-1,AB_aP24_2_6i_6i:Mg-Si,24.0,AB_aP24_2_12i_12i:Mg-Si +mp-1100455,MgSi,-3.4914839375,0.0213151025,0.1178591575,0.1178591575,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1100456,MgSi,-3.4208892667,0.0919097733,0.1884538283,0.1884538283,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1248557,MgSi,-3.4014062233,0.1113928167,0.2079368717,0.2079368717,GGA,P-1,AB_aP12_2_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_aP12_2_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1073722,MgSi,-3.4335440533,0.0792549867,0.1757990417,0.1757990417,GGA,P2_1,AB_mP24_4_6a_6a:Mg-Si,24.0,AB_mP24_4_12a_12a:Mg-Si +mp-1073692,MgSi,-3.4212743592,0.0915246808,0.1880687358,0.1880687358,GGA,Cm,AB_mC24_8_6a_6a:Mg-Si,12.0,AB_mC24_8_6a_6a:Mg-Si +mp-1073700,MgSi,-3.41641888,0.09638016,0.192924215,0.192924215,GGA,Cm,AB_mC24_8_6a_6a:Mg-Si,12.0,AB_mC24_8_6a_6a:Mg-Si +mp-1073716,MgSi,-3.4121362092,0.1006628308,0.1972068858,0.1972068858,GGA,Cm,AB_mC24_8_6a_6a:Mg-Si,12.0,AB_mC24_8_6a_6a:Mg-Si +mp-1073851,MgSi,-3.3813184683,0.1314805717,0.2280246267,0.2280246267,GGA,Cm,AB_mC24_8_6a_6a:Mg-Si,12.0,AB_mC24_8_6a_6a:Mg-Si +mp-1073728,MgSi,-3.498103645,0.014695395,0.11123945,0.11123945,GGA,P2_1/m,AB_mP4_11_e_e:Mg-Si,4.0,AB_mP4_11_e_e:Mg-Si +mp-1073745,MgSi,-3.3847338875,0.1280651525,0.2246092075,0.2246092075,GGA,P2_1/m,AB_mP12_11_3e_3e:Mg-Si,12.0,"Invalid WP multiplicities - AB_mP12_11_4e_5e:Mg-Si, expected Mg4Si5 to be MgSi" +mp-1073794,MgSi,-3.5102306333,0.0025684067,0.0991124617,0.0991124617,GGA,P2_1/m,AB_mP12_11_3e_3e:Mg-Si,12.0,"Invalid WP multiplicities - AB_mP12_11_4e_6e:Mg-Si, expected Mg2Si3 to be MgSi" +mp-1100450,MgSi,-3.4815297,0.03126934,0.127813395,0.127813395,GGA,P2_1/m,AB_mP8_11_2e_f:Mg-Si,8.0,"Invalid WP multiplicities - AB_mP8_11_4e_f:Mg-Si, expected Mg2Si to be MgSi" +mp-1073739,MgSi,-3.35265246,0.16014658,0.256690635,0.256690635,GGA,C2/m,AB_mC8_12_i_i:Mg-Si,4.0,AB_mC8_12_i_i:Mg-Si +mp-1073777,MgSi,-3.4874436992,0.0253553408,0.1218993958,0.1218993958,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073789,MgSi,-3.4226472642,0.0901517758,0.1866958308,0.1866958308,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073810,MgSi,-3.3943309942,0.1184680458,0.2150121008,0.2150121008,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1073850,MgSi,-3.4137362892,0.0990627508,0.1956068058,0.1956068058,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1100451,MgSi,-3.3701669558000003,0.1426320842,0.2391761392,0.2391761392,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_6i_5i:Mg-Si, expected Mg6Si5 to be MgSi" +mp-1100452,MgSi,-3.4113410867,0.1014579533,0.1980020083,0.1980020083,GGA,C2/m,AB_mC24_12_3i_3i:Mg-Si,12.0,"Invalid WP multiplicities - AB_mC24_12_3i_5i:Mg-Si, expected Mg3Si5 to be MgSi" +mp-1073693,MgSi,-3.445803235,0.066995805,0.16353986,0.16353986,GGA,Cmcm,AB_oC24_63_3c_3c:Mg-Si,12.0,AB_oC24_63_6c_6c:Mg-Si +mp-1073795,MgSi,-3.47950594,0.0332931,0.129837155,0.129837155,GGA,Cmcm,AB_oC16_63_2c_f:Mg-Si,8.0,"Invalid WP multiplicities - AB_oC16_63_4c_f:Mg-Si, expected Mg2Si to be MgSi" +mp-1073737,MgSi,-3.357233575,0.155565465,0.25210952,0.25210952,GGA,Cmcm,AB_oC8_63_c_c:Mg-Si,4.0,AB_oC8_63_c_c:Mg-Si +mp-1073705,MgSi,-3.36184391,0.15095513,0.247499185,0.247499185,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Si,2.0,AB_tP2_123_a_d:Mg-Si +mp-1016216,Mg3Si,-2.45055679,0.105982755,0.2080248828,0.2080248828,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Si,4.0,A3B_oP4_25_abc_d:Mg-Si +mp-867165,Pm3Si,-5.1561249325,-0.2368886831,0.0,-0.1602239875,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Si,4.0,A3B_cP4_221_c_a:Pm-Si +mp-863696,Pm2MgSi,-4.403540915,-0.2718702337,0.0,-0.075218668,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Mg-Pm-Si +mp-1185967,MgSi3,-4.110064755,0.35899378,0.4072658075,0.4072658075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Si,8.0,AB3_hP8_194_c_h:Mg-Si +mp-1016319,Mg7Si,-2.02475502,0.0536547775,0.1156719871,0.1156719871,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Si,8.0,A7B_hP8_187_ajk_d:Mg-Si +mp-1074619,Mg2Si,-2.80454491,0.0707478,0.1994732067,0.1498720776,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074636,Mg2Si,-2.8052876658,0.0700050442,0.1987304508,0.1491293218,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074644,Mg2Si,-2.8303611,0.04493161,0.1736570167,0.1240558876,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074665,Mg2Si,-2.7614096208000003,0.1138830892,0.2426084958,0.1930073668,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074668,Mg2Si,-2.7986115825,0.0766811275,0.2054065342,0.1558054051,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074681,Mg2Si,-2.8183110258,0.0569816842,0.1857070908,0.1361059618,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074685,Mg2Si,-2.7719774992,0.1033152108,0.2320406175,0.1824394885,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074703,Mg2Si,-2.7820848017,0.0932079083,0.221933315,0.172332186,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074700,Mg2Si,-2.84207312,0.03321959,0.1619449967,0.1123438676,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074613,Mg2Si,-2.7921690742000003,0.0831236358,0.2118490425,0.1622479135,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074733,Mg2Si,-2.7647003075,0.1105924025,0.2393178092,0.1897166801,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074772,Mg2Si,-2.7833436617,0.0919490483,0.220674455,0.171073326,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074770,Mg2Si,-2.7628810375,0.1124116725,0.2411370792,0.1915359501,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074676,Mg2Si,-2.8050446775,0.0702480325,0.1989734392,0.1493723101,GGA,P1,A2B_aP12_1_8a_4a:Mg-Si,12.0,A2B_aP12_1_8a_4a:Mg-Si +mp-1074616,Mg2Si,-2.8113755575,0.0639171525,0.1926425592,0.1430414301,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_8i_2i:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1074645,Mg2Si,-2.8310283775,0.0442643325,0.1729897392,0.1233886101,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_8i_2i:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1074632,Mg2Si,-2.8672166842,0.0080760258,0.1368014325,0.0872003035,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_3i:Mg-Si, expected Mg7Si3 to be Mg2Si" +mp-1074669,Mg2Si,-2.735440305,0.139852405,0.2685778117,0.2189766826,GGA,P-1,A2B_aP6_2_2i_i:Mg-Si,6.0,"Invalid WP multiplicities - A2B_mC12_12_4i_i:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1074667,Mg2Si,-2.8397198533,0.0355728567,0.1642982633,0.1146971343,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,A2B_aP12_2_8i_4i:Mg-Si +mp-1074672,Mg2Si,-2.8767778258,-0.0014851158,0.1272402908,0.0776391618,GGA,P-1,A2B_aP12_2_be3i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_be5i_2i:Mg-Si, expected Mg3Si to be Mg2Si" +mp-1074729,Mg2Si,-2.85981519,0.01547752,0.1442029267,0.0946017976,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_8i_2i:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1074759,Mg2Si,-2.8301006317,0.0451920783,0.173917485,0.124316356,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,A2B_aP12_2_8i_4i:Mg-Si +mp-1074780,Mg2Si,-2.8152014167,0.0600912933,0.1888167,0.139215571,GGA,P-1,A2B_aP12_2_ac3i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_ac6i_2i:Mg-Si, expected Mg7Si2 to be Mg2Si" +mp-1074753,Mg2Si,-2.8731997867,0.0020929233,0.13081833,0.081217201,GGA,P-1,A2B_aP12_2_4i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_8i_2i:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1237875,Mg2Si,-2.7486269025,0.1266658075,0.2553912142,0.2057900851,GGA,P-1,A2B_aP12_2_ac3i_2i:Mg-Si,12.0,"Invalid WP multiplicities - A2B_aP12_2_ac6i_2i:Mg-Si, expected Mg7Si2 to be Mg2Si" +mp-1074641,Mg2Si,-2.8618359175,0.0134567925,0.1421821992,0.0925810701,GGA,P2_1,A2B_mP12_4_4a_2a:Mg-Si,12.0,A2B_mP12_4_6a_3a:Mg-Si +mp-1074720,Mg2Si,-2.8155722233,0.0597204867,0.1884458933,0.1388447643,GGA,P2_1,A2B_mP12_4_4a_2a:Mg-Si,12.0,"Invalid WP multiplicities - A2B_mP12_4_8a_2a:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1074751,Mg2Si,-2.8187658858,0.0565268242,0.1852522308,0.1356511018,GGA,P2_1,A2B_mP12_4_4a_2a:Mg-Si,12.0,A2B_mP12_4_6a_3a:Mg-Si +mp-1074637,Mg2Si,-2.7945927633,0.0806999467,0.2094253533,0.1598242243,GGA,C2/m,A2B_mC24_12_eij_abi:Mg-Si,12.0,A2B_mC24_12_fij_abi:Mg-Si +mp-1074730,Mg2Si,-2.860286965,0.015005745,0.1437311517,0.0941300226,GGA,P2_1/c,A2B_mP12_14_2e_e:Mg-Si,12.0,"Invalid WP multiplicities - A2B_mP12_14_7e_e:Mg-Si, expected Mg7Si to be Mg2Si" +mp-1100468,Mg2Si,-2.8499928683,0.0252998417,0.1540252483,0.1044241193,GGA,P2_1/c,A2B_mP12_14_2e_e:Mg-Si,12.0,"Invalid WP multiplicities - A2B_mP12_14_7e_e:Mg-Si, expected Mg7Si to be Mg2Si" +mp-1074738,Mg2Si,-2.8516465458,0.0236461642,0.1523715708,0.1027704418,GGA,Pnma,A2B_oP12_62_2c_c:Mg-Si,12.0,A2B_oP12_62_2c_c:Mg-Si +mp-1101851,Mg2Si,-2.9473293842,-0.0720366742,0.0566887325,0.0070876035,GGA,Pnma,A2B_oP12_62_2c_c:Mg-Si,12.0,A2B_oP12_62_2c_c:Mg-Si +mp-1180797,Mg2Si,-0.38315251,2.4921402,2.6208656067,2.5712644776,GGA,Pnma,A2B_oP12_62_2c_c:Mg-Si,12.0,A2B_oP12_62_2c_c:Mg-Si +mp-1074714,Mg2Si,-2.8384773183,0.0368153917,0.1655407983,0.1159396693,GGA,Cmcm,A2B_oC12_63_ac_c:Mg-Si,6.0,A2B_oC12_63_ac_c:Mg-Si +mp-1074652,Mg2Si,-2.9159351617,-0.0406424517,0.088082955,0.038481826,GGA,P4/nmm,A2B_tP6_129_ac_c:Mg-Si,6.0,"Invalid WP multiplicities - A2B_tP6_129_2a2c_c:Mg-Si, expected Mg4Si to be Mg2Si" +mp-1018796,Mg2Si,-2.843987395,0.031305315,0.1600307217,0.1104295926,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Mg-Si,6.0,A2B_hP6_194_ac_d:Mg-Si +mp-1367,Mg2Si,-3.0040181167,-0.1287254067,0.0,-0.049601129,GGA,Fm-3m,A2B_cF12_225_c_a:Mg-Si,3.0,A2B_cF12_225_c_a:Mg-Si +mp-570657,Mg2Si,-2.4214047217,0.4538879883,0.5826133950000001,0.5330122660000001,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Si,6.0,A2B_cF24_227_c_b:Mg-Si +mp-1075790,Mg3Si2,-3.1015943445,0.0287008975,0.1445537635,0.1445537635,GGA,P-1,A3B2_aP20_2_ab5i_4i:Mg-Si,20.0,"Invalid WP multiplicities - A3B2_aP20_2_ab10i_8i:Mg-Si, expected Mg11Si8 to be Mg3Si2" +mp-1075792,Mg3Si2,-3.10250625,0.027788992,0.143641858,0.143641858,GGA,P-1,A3B2_aP10_2_3i_2i:Mg-Si,10.0,A3B2_aP10_2_3i_2i:Mg-Si +mp-1075793,Mg3Si2,-3.0897039445,0.0405912975,0.1564441635,0.1564441635,GGA,P-1,A3B2_aP20_2_6i_4i:Mg-Si,20.0,"Invalid WP multiplicities - A3B2_aP20_2_11i_8i:Mg-Si, expected Mg11Si8 to be Mg3Si2" +mp-1075810,Mg3Si2,-3.118562352,0.01173289,0.127585756,0.127585756,GGA,P-1,A3B2_aP5_2_ai_i:Mg-Si,5.0,A3B2_aP5_2_ai_i:Mg-Si +mp-1075818,Mg3Si2,-3.083038488,0.047256754,0.16310962,0.16310962,GGA,P-1,A3B2_aP20_2_6i_4i:Mg-Si,20.0,A3B2_aP20_2_6i_4i:Mg-Si +mp-1075851,Mg3Si2,-3.041854932,0.08844031,0.204293176,0.204293176,GGA,P-1,A3B2_aP10_2_3i_2i:Mg-Si,10.0,A3B2_aP10_2_3i_2i:Mg-Si +mp-1075771,Mg3Si2,-3.000007298,0.130287944,0.24614081,0.24614081,GGA,C2/m,A3B2_mC20_12_3i_2i:Mg-Si,10.0,A3B2_mC20_12_3i_2i:Mg-Si +mp-1100449,Mg3Si2,-3.11877895,0.011516292,0.127369158,0.127369158,GGA,C2/m,A3B2_mC10_12_ah_i:Mg-Si,5.0,A3B2_mC10_12_ah_i:Mg-Si +mp-1075786,Mg3Si2,-3.1236977295,0.0065975125,0.1224503785,0.1224503785,GGA,P2_1/c,A3B2_mP20_14_3e_2e:Mg-Si,20.0,"Invalid WP multiplicities - A3B2_mP20_14_7e_4e:Mg-Si, expected Mg7Si4 to be Mg3Si2" +mp-1075796,Mg3Si2,-3.138941231,-0.008645989,0.107206877,0.107206877,GGA,C2/c,A3B2_mC20_15_ef_f:Mg-Si,10.0,"Invalid WP multiplicities - A3B2_mC20_15_e2f_f:Mg-Si, expected Mg5Si2 to be Mg3Si2" +mp-1023509,Mg15Si,-1.80894057,0.0304043538,0.0724091042,0.0724091042,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Si,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Si, expected Mg27Si to be Mg15Si" +mp-20171,Pu(SiNi)2,-7.977353498,-0.6416039480000001,0.0,-0.1515918005,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Ni-Pu-Si +mp-29667,Si2Ni3,-6.1331117412,-0.4949025212,0.0062515277,0.0062515277,GGA,Cmcm,A3B2_oC80_63_acf2gh_2cgh:Ni-Si,40.0,A3B2_oC80_63_acf2gh_2cgh:Ni-Si +mp-1118,SiNi2,-6.1876561892,-0.5257923925,0.0,-0.0439941086,GGA,Pnma,A2B_oP12_62_2c_c:Ni-Si,12.0,A2B_oP12_62_2c_c:Ni-Si +mp-507,SiNi2,-6.1404349867,-0.47857119,0.0472212025,0.0032270939,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Ni-Si,6.0,A2B_hP6_194_ac_d:Ni-Si +mp-1209041,Si9Ni25,-6.1330626488,-0.4468485526,0.0093315105,0.0093315105,GGA,P-3,A25B9_hP34_147_ac2d3g_bdg:Ni-Si,34.0,A25B9_hP34_147_ac2d3g_bdg:Ni-Si +mp-1080146,Pu3Si2,-11.044054031,-0.313223821,0.035849603,0.035849603,GGA,P4/mbm,A3B2_tP10_127_ah_g:Pu-Si,10.0,A3B2_tP10_127_ah_g:Pu-Si +mp-999192,SiNi,-6.0204152525,-0.4176878975,0.0465086362,0.0238872783,GGA,Pmmn,AB_oP4_59_a_a:Ni-Si,4.0,AB_oP4_59_a_a:Ni-Si +mp-351,SiNi,-6.0669238887,-0.4641965338,0.0,-0.022621358,GGA,Pnma,AB_oP8_62_c_c:Ni-Si,8.0,AB_oP8_62_c_c:Ni-Si +mp-1095177,SiNi,-5.9703251113,-0.3675977563,0.0965987775,0.0739774195,GGA,P2_13,AB_cP8_198_a_a:Ni-Si,8.0,AB_cP8_198_a_a:Ni-Si +mp-20713,PuSi,-10.28291996,-0.43634178,0.0,-0.0759230344,GGA,Pnma,AB_oP8_62_c_c:Pu-Si,8.0,AB_oP8_62_c_c:Pu-Si +mp-867907,PuSi3,-7.95420186,-0.318253755,0.01105396,0.01105396,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pu-Si,8.0,AB3_hP8_194_c_h:Pu-Si +mp-2291,Si2Ni,-5.89628718,-0.3526962667,0.0,-0.0432319108,GGA,Fm-3m,AB2_cF12_225_a_c:Ni-Si,3.0,AB2_cF12_225_a_c:Ni-Si +mp-21105,PuSi2,-8.81190175,-0.4390769533,0.0,-0.0814605233,GGA,I4_1/amd,AB2_tI12_141_a_e:Pu-Si,6.0,AB2_tI12_141_a_e:Pu-Si +mp-10186,PuSi2,-8.7985954967,-0.4257707,0.0133062533,-0.06815427,GGA,P6/mmm,AB2_hP3_191_a_d:Pu-Si,3.0,AB2_hP3_191_a_d:Pu-Si +mp-27276,Si12Ni31,-6.152249566,-0.4711320442,0.0,-0.0006365977,GGA,P321,A31B12_hP43_150_ac2d4g_c2def:Ni-Si,43.0,A31B12_hP43_150_ac2d4g_c2def:Ni-Si +mp-1219285,SiNi3,-5.8411049375,-0.14967292,0.2911991625,0.2723675748,GGA,R-3m,A3B_hR12_166_ac_b:Ni-Si,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ni-Si, expected SiNi5 to be SiNi3" +mp-828,SiNi3,-6.1323041,-0.4408720825,0.0,-0.0188315877,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Si,4.0,A3B_cP4_221_c_a:Ni-Si +mp-1227691,Be46Os7,-4.8018715651,-0.0734835689,0.1664610898,0.1664610898,GGA,P3m1,A46B7_hP53_156_6a6b7c9d_6ab:Be-Os,53.0,"Invalid WP multiplicities - A46B7_hP53_156_6a6b7c27d_6ab:Be-Os, expected Be100Os7 to be Be46Os7" +mp-1096368,Be2OsPt,-3.262999715,2.931331905,3.2082900115,3.2082900115,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Os-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Os-Pt +mp-1199166,Be17Os3,-5.1351146264,-0.2725085766,0.0,-0.2005426032,GGA,Im-3,A17B3_cI160_204_def2gh_g:Be-Os,80.0,A17B3_cI160_204_def2gh_g:Be-Os +mp-1183835,DyPa,-6.866644285,0.194081465,0.194081465,0.194081465,GGA,P-6m2,AB_hP2_187_a_d:Dy-Pa,2.0,AB_hP2_187_a_d:Dy-Pa +mp-1183793,DyPa3,-8.0987414675,0.1889537375,0.1889537375,0.1889537375,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pa,4.0,AB3_cP4_221_a_c:Dy-Pa +mp-867279,DyPaRu2,-8.56882335,-0.401259205,0.0,-0.1563839131,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Pa-Ru +mp-2083,Sn2Ir,-5.9196099133,-0.3004172833,0.0,-0.0357070507,GGA,Fm-3m,AB2_cF12_225_a_c:Ir-Sn,3.0,AB2_cF12_225_a_c:Ir-Sn +mp-571075,Np3Sn,-10.4842459725,0.2289817522,0.2742827217,0.2742827217,GGA,Pm-3m,A3B_cP4_221_c_a:Np-Sn,4.0,A3B_cP4_221_c_a:Np-Sn +mp-20033,SnIr,-6.6669816950000005,-0.2429786775,0.0,-0.0141143814,GGA,P6_3/mmc,AB_hP4_194_a_c:Ir-Sn,4.0,AB_hP4_194_a_c:Ir-Sn +mp-881,NpSn3,-6.38002672,-0.1359029084,0.0,-0.1359029084,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Sn,4.0,AB3_cP4_221_a_c:Np-Sn +mp-20466,Sn7Ir5,-6.2886061692,-0.2670083454,0.004689635,0.004689635,GGA,I4mm,A5B7_tI24_107_ad_abc:Ir-Sn,12.0,"Invalid WP multiplicities - A5B7_tI24_107_ad_a2bc:Ir-Sn, expected Sn9Ir5 to be Sn7Ir5" +mp-1187093,SnIr3,-7.59279264,0.0384259588,0.1599152975,0.1599152975,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Sn,8.0,A3B_hP8_194_h_c:Ir-Sn +mp-1080586,Sn4Ir,-5.172695927,-0.197351607,0.0074670685,-0.017101237,GGA,Ccce,AB4_oC20_68_a_i:Ir-Sn,10.0,AB4_oC20_68_a_i:Ir-Sn +mp-31277,Sn4Ir,-5.1801629955,-0.2048186755,0.0,-0.0245683055,GGA,I4_1/acd,AB4_tI40_142_b_g:Ir-Sn,20.0,AB4_tI40_142_b_g:Ir-Sn +mp-20314,NpSnIr,-9.0094904889,-0.4108952501,0.0,-0.1287315494,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-Np-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Ir-Np-Sn, expected Np3Sn3Ir5 to be NpSnIr" +mp-22040,Sn7Ir3,-5.72202154,-0.2637909875,0.0127266439,0.0127266439,GGA,Im-3m,A3B7_cI40_229_e_df:Ir-Sn,20.0,"Invalid WP multiplicities - A3B7_cI40_229_e_d2f:Ir-Sn, expected Sn11Ir3 to be Sn7Ir3" +mp-19712,PrAgPb,-4.236730505,-0.4613608956,0.0,-0.0611004887,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Pb-Pr,6.0,ABC_hP6_186_b_b_a:Ag-Pb-Pr +mp-1220390,NbAu4,-4.636483518,0.00288309,0.073232636,0.073232636,GGA,R-3m,A4B_hR15_166_2c_a:Au-Nb,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Nb, expected NbAu6 to be NbAu4" +mp-1220409,Nb6OsAu,-9.555197165,-0.1665622062,0.0003644544,0.0003644544,GGA,Pm-3,AB6C_cP8_200_a_f_b:Au-Nb-Os,8.0,AB6C_cP8_200_a_f_b:Au-Nb-Os +mp-2123,Nb3Au2,-7.517823696,-0.147487872,0.0,-0.0595588772,GGA,I4/mmm,A2B3_tI10_139_e_ae:Au-Nb,5.0,A2B3_tI10_139_e_ae:Au-Nb +mp-1188500,Nb3Au2,-7.395230933,-0.024895109,0.122592763,0.0630338858,GGA,P4_132,A2B3_cP20_213_c_d:Au-Nb,20.0,A2B3_cP20_213_c_d:Au-Nb +mp-1932,Nb3Os,-10.6244940388,-0.2416734013,0.0,-0.0919307002,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Os,8.0,A3B_cP8_223_c_a:Nb-Os +mp-1186218,Nb3Os,-10.6159624925,-0.233141855,0.0085315463,-0.083399154,GGA,Fm-3m,A3B_cF16_225_ac_b:Nb-Os,4.0,A3B_cF16_225_ac_b:Nb-Os +mp-1220934,Nb3Os2,-10.7913183177,-0.2395883217,0.0,-0.0462496007,GGA,Cmm2,A3B2_oC60_35_2d3e2f_abd2f:Nb-Os,30.0,"Invalid WP multiplicities - A3B2_oC60_35_2d3e4f_abd4f:Nb-Os, expected Nb13Os10 to be Nb3Os2" +mp-1220360,NbOs3,-10.90574227,0.0401095625,0.1399380299,0.1399380299,GGA,P-6m2,AB3_hP4_187_a_bh:Nb-Os,4.0,AB3_hP4_187_a_bh:Nb-Os +mp-1186225,NbOs3,-11.01295319,-0.0671013575,0.0327271099,0.0327271099,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Os,4.0,AB3_cP4_221_a_c:Nb-Os +mp-1220645,Nb3Au,-8.465885635,-0.071436355,0.020743565,0.020743565,GGA,Cmmm,AB3_oC8_65_b_ck:Au-Nb,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Au-Nb, expected Nb5Au to be Nb3Au" +mp-2752,Nb3Au,-8.4601635475,-0.0657142675,0.0264656525,0.0264656525,GGA,Pm-3n,AB3_cP8_223_a_c:Au-Nb,8.0,AB3_cP8_223_a_c:Au-Nb +mp-1606,NbAu2,-5.6669389233,-0.1172492433,0.0,-0.0353115367,GGA,P6/mmm,A2B_hP3_191_c_b:Au-Nb,3.0,A2B_hP3_191_c_b:Au-Nb +mp-632413,CoCl2,-4.5596485467,-0.9578515083,0.02394586,-0.7398662711,GGA,C2/m,A2B_mC6_12_i_a:Cl-Co,3.0,A2B_mC6_12_i_a:Cl-Co +mp-696114,CoCl2,-4.5835944067,-0.9817973683,0.0,-0.7638121311,GGA,P-3m1,A2B_hP3_164_d_a:Cl-Co,3.0,A2B_hP3_164_d_a:Cl-Co +mp-1120788,CoCl2,-4.5831754267,-0.9813783883,0.00041898,-0.7633931511000001,GGA,P-3m1,A2B_hP3_164_d_a:Cl-Co,3.0,A2B_hP3_164_d_a:Cl-Co +mp-23240,CoCl2,-4.58196661,-0.9801695717,0.0016277967,-0.7621843344,GGA,R-3m,A2B_hR9_166_c_a:Cl-Co,3.0,A2B_hR9_166_c_a:Cl-Co +mp-34457,Li2CoCl4,-4.1683919202,-1.5512047533,0.0906651383,0.0906651383,GGA,P1,A4BC2_aP42_1_24a_6a_12a:Cl-Co-Li,42.0,A4BC2_aP42_1_24a_6a_12a:Cl-Co-Li +mp-22980,Li2CoCl4,-4.2412078586,-1.6240206917000002,0.0178492,0.0178492,GGA,Cmmm,A4BC2_oC14_65_gj_a_f:Cl-Co-Li,7.0,"Invalid WP multiplicities - A4BC2_oC14_65_2g2j_a_f:Cl-Co-Li, expected Li2CoCl8 to be Li2CoCl4" +mp-1222796,Li2CoCl4,-4.1024879586,-1.4853007917,0.1565691,0.1565691,GGA,Imma,A4BC2_oI28_74_hi_a_bc:Cl-Co-Li,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_2h2i_a_bc:Cl-Co-Li, expected Li2CoCl8 to be Li2CoCl4" +mp-677135,Li2CoCl4,-2.6104175818,0.0067695851,1.6486394768,1.6486394768,GGA,P4_122,A4BC2_tP28_91_2d_a_2b:Cl-Co-Li,28.0,"Invalid WP multiplicities - A4BC2_tP28_91_6d_a_4b:Cl-Co-Li, expected Li4CoCl12 to be Li2CoCl4" +mp-1183689,Co3Cl,-5.2204235975,0.5729489138,0.9411229269,0.9411229269,GGA,Fm-3m,AB3_cF16_225_a_bc:Cl-Co,4.0,AB3_cF16_225_a_bc:Cl-Co +mp-505391,Li6CoCl8,-4.0983749727,-1.8750317543,0.0308671467,0.0308671467,GGA,Fm-3m,A8BC6_cF60_225_ce_a_d:Cl-Co-Li,15.0,A8BC6_cF60_225_ce_a_d:Cl-Co-Li +mp-976017,Li3Co,-2.8799479825,0.3288236162,0.3288236162,0.3288236162,GGA,I4/mmm,AB3_tI8_139_a_bd:Co-Li,4.0,AB3_tI8_139_a_bd:Co-Li +mp-977165,Li3Co,-2.880863665,0.3279079337,0.3279079337,0.3279079337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Li,8.0,AB3_hP8_194_c_h:Co-Li +mp-1185319,LiCl,-4.0156540475,-2.1369242842,0.0,-2.1369242842,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Li,4.0,AB_hP4_186_b_b:Cl-Li +mp-22905,LiCl,-3.995192165,-2.1164624017,0.0204618825,-2.1164624017,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Li,2.0,AB_cF8_225_a_b:Cl-Li +mp-1206633,CoCl6,-2.8802006986,-0.2802667336,0.1405035671,0.1405035671,GGA,Cmmm,A6B_oC14_65_kp_a:Cl-Co,7.0,A6B_oC14_65_kp_a:Cl-Co +mp-865558,AcTe3,-4.5903394025,-1.2025662306,0.0,-1.2025662306,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Te,4.0,AB3_tI8_139_a_bd:Ac-Te +mp-864755,LiAcTe2,-4.49926146,-1.4200840448,0.0,-0.3770183328,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Li-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Li-Te +mp-866041,Ga2IrRu,-6.4609641825,-0.4187069912,0.0,-0.0453715069,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Ga-Ir-Ru +mp-1217954,TaNi,-9.0769389919,-0.2579818369,0.0273891371,0.0273891371,GGA,R-3m,AB_hR78_166_a2h_b6c:Ni-Ta,26.0,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Ni-Ta, expected Ta19Ni67 to be TaNi" +mp-1191664,Ta5Ni,-10.7368095354,0.1080279363,0.2255782362,0.2255782362,GGA,Fd-3m,AB5_cF96_227_c_ef:Ni-Ta,24.0,AB5_cF96_227_c_ef:Ni-Ta +mp-1867,Ta2Ni,-10.0669979133,-0.2351006,0.0,-0.0631127087,GGA,I4/mcm,AB2_tI12_140_a_h:Ni-Ta,6.0,AB2_tI12_140_a_h:Ni-Ta +mp-1101992,Ta2Ni,-9.7178445675,0.1140527458,0.3491533458,0.2860406371,GGA,P6_3/mcm,AB2_hP12_193_d_bg:Ni-Ta,12.0,AB2_hP12_193_d_bg:Ni-Ta +mp-1218103,Ta4(CuNi3)3,-7.2372204531,-0.2528479125,0.0261444795,0.0261444795,GGA,Pmm2,A3B9C4_oP16_25_af_c2e2f_bde:Cu-Ni-Ta,16.0,"Invalid WP multiplicities - A3B9C4_oP16_25_af_c3e3f_bde:Cu-Ni-Ta, expected Ta4Cu3Ni13 to be Ta4(CuNi3)3" +mp-1225694,CuNi3,-5.2677457975,0.09215838,0.09215838,0.09215838,GGA,Cmmm,AB3_oC8_65_b_ck:Cu-Ni,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Cu-Ni, expected CuNi5 to be CuNi3" +mp-1184054,CuNi3,-5.32796876,0.0319354175,0.0319354175,0.0319354175,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Ni,4.0,AB3_tI8_139_a_bd:Cu-Ni +mp-1225695,CuNi,-4.874809155,0.06486252,0.06486252,0.06486252,GGA,Cmmm,AB_oC4_65_a_c:Cu-Ni,2.0,AB_oC4_65_a_c:Cu-Ni +mp-1225687,CuNi,-4.921190945,0.01848073,0.01848073,0.01848073,GGA,R-3m,AB_hR6_166_a_b:Cu-Ni,2.0,AB_hR6_166_a_b:Cu-Ni +mp-1184069,CuNi,-4.91039607,0.029275605,0.029275605,0.029275605,GGA,P-6m2,AB_hP2_187_a_d:Cu-Ni,2.0,AB_hP2_187_a_d:Cu-Ni +mp-1157,TaNi2,-8.1405902733,-0.3345732767,0.0010680713,0.0010680713,GGA,I4/mmm,A2B_tI6_139_e_a:Ni-Ta,3.0,A2B_tI6_139_e_a:Ni-Ta +mp-569776,TaNi3,-7.657989255,-0.3584423375,0.0023341975,-0.10751238,GGA,P2_1/m,A3B_mP16_11_2e2f_2e:Ni-Ta,16.0,"Invalid WP multiplicities - A3B_mP16_11_4e7f_2e:Ni-Ta, expected TaNi9 to be TaNi3" +mp-891,TaNi3,-7.6571487912,-0.3576018737,0.0031746613,-0.1066719162,GGA,Pmmn,A3B_oP8_59_ae_b:Ni-Ta,8.0,A3B_oP8_59_ae_b:Ni-Ta +mp-570491,TaNi3,-7.6603234525,-0.360776535,0.0,-0.1098465775,GGA,I4/mmm,A3B_tI8_139_ad_b:Ni-Ta,4.0,A3B_tI8_139_ad_b:Ni-Ta +mp-1217931,TaNi3,-7.1731018075,0.12644511,0.487221645,0.3773750675,GGA,P-6m2,A3B_hP4_187_ah_b:Ni-Ta,4.0,A3B_hP4_187_ah_b:Ni-Ta +mp-1187227,Ta3Cu,-9.7531920725,0.1649428175,0.1649428175,0.1649428175,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Ta,4.0,AB3_tI8_139_a_bd:Cu-Ta +mp-1225698,Cu3Ni,-4.4689301025,0.05050907,0.05050907,0.05050907,GGA,Cmmm,A3B_oC8_65_bk_c:Cu-Ni,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Cu-Ni, expected Cu5Ni to be Cu3Ni" +mp-1183561,CaHoCd2,-2.4437851075,-0.33533804,0.0008210375,0.0008210375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Ho,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Ho +mp-861993,Ho2TlAg,-3.932330215,-0.3423259925,0.0,-0.01426547,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-Tl +mp-1224563,Ho14Ag51,-3.4486511782,-0.2392037882,0.0,-0.0224652148,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Ho,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Ho, expected Ho14Ag71 to be Ho14Ag51" +mp-2120,HoAg2,-3.7512690367,-0.3354287444,0.0,-0.0542304932,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Ho,3.0,A2B_tI6_139_e_a:Ag-Ho +mp-2778,HoAg,-4.04802069,-0.3405382533,0.0,-0.088966695,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Ho,2.0,AB_cP2_221_a_b:Ag-Ho +mp-15954,As2Rh,-6.0626542992,-0.5018060725,0.0,-0.0536168475,GGA,P2_1/c,A2B_mP12_14_2e_e:As-Rh,12.0,A2B_mP12_14_2e_e:As-Rh +mp-1087498,Ce(AsRh)2,-6.918706459,-0.922718118,0.0,-0.0441055548,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Ce-Rh,10.0,A2BC2_tP10_129_ac_c_bc:As-Ce-Rh +mp-1183729,CeAs3,-5.666435375,-0.6888242825,0.0545028994,0.0545028994,GGA,Pm-3m,A3B_cP4_221_c_a:As-Ce,4.0,A3B_cP4_221_c_a:As-Ce +mp-21011,Ce4As3,-6.5840537293,-1.1969520386,0.0280994614,0.0280994614,GGA,I-43d,A3B4_cI28_220_a_c:As-Ce,14.0,A3B4_cI28_220_a_c:As-Ce +mp-10478,CeAsRh,-7.129103945,-1.1435988017,0.0,-0.095132148,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ce-Rh,12.0,ABC_oP12_62_c_c_c:As-Ce-Rh +mp-1183832,CeAsRh,-7.12598093,-1.1404757867,0.003123015,-0.092009133,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Ce-Rh,6.0,ABC_hP6_194_c_a_d:As-Ce-Rh +mp-1102364,AsRh2,-6.842417755,-0.3798397067,0.0806206317,-0.013855314,GGA,Pnma,AB2_oP12_62_c_2c:As-Rh,12.0,AB2_oP12_62_c_2c:As-Rh +mp-2302,AsRh2,-6.9230383867,-0.4604603383,0.0,-0.0944759457,GGA,Fm-3m,AB2_cF12_225_a_c:As-Rh,3.0,AB2_cF12_225_a_c:As-Rh +mp-1101892,CeAs2,-6.0748782308,-0.9911029092,0.0,-0.0382850758,GGA,Pnma,A2B_oP12_62_2c_c:As-Ce,12.0,A2B_oP12_62_2c_c:As-Ce +mp-1228882,As7Rh12,-6.7721681853,-0.4045090655,0.0603034554,0.0603034554,GGA,P3,A7B12_hP19_143_a2d_4d:As-Rh,19.0,A7B12_hP19_143_a2d_4d:As-Rh +mp-8182,As3Rh,-5.7692203006,-0.4338045294,0.0,-0.057449975,GGA,Im-3,A3B_cI32_204_g_c:As-Rh,16.0,A3B_cI32_204_g_c:As-Rh +mp-2748,CeAs,-6.72533053,-1.42922675,0.0,-0.2940294503,GGA,Fm-3m,AB_cF8_225_a_b:As-Ce,2.0,AB_cF8_225_a_b:As-Ce +mp-22079,AsRh,-6.4886717538,-0.4769586163,0.0041745892,0.0041745892,GGA,Pnma,AB_oP8_62_c_c:As-Rh,8.0,AB_oP8_62_c_c:As-Rh +mp-974430,Re3Ir,-11.62976321,-0.0867592762,0.01907532,0.0124531875,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-Re,4.0,AB3_tI8_139_a_bd:Ir-Re +mp-1186902,Re3Ir,-11.64883853,-0.1058345963,0.0,-0.0066221325,GGA,Pm-3m,AB3_cP4_221_a_c:Ir-Re,4.0,AB3_cP4_221_a_c:Ir-Re +mp-861978,Hf2ReIr,-11.0479312925,-0.7485964362,0.0,-0.0673191499,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Re,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Re +mp-1219533,ReIr,-10.83990561,-0.1984249275,0.0,-0.0693716794,GGA,P-6m2,AB_hP2_187_a_d:Ir-Re,2.0,AB_hP2_187_a_d:Ir-Re +mp-1219535,ReIr3,-9.8404631575,-0.1005057263,0.0517661737,-0.0012932625,GGA,R-3m,A3B_hR12_166_ac_b:Ir-Re,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ir-Re, expected ReIr5 to be ReIr3" +mp-867792,ReIr3,-9.8922293313,-0.1522719,0.0,-0.0530594363,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Re,8.0,A3B_hP8_194_h_c:Ir-Re +mp-1183475,CaBr,-3.331201945,-1.55188784,0.2918724925,0.2918724925,GGA,P6_3mc,AB_hP4_186_b_b:Br-Ca,4.0,AB_hP4_186_b_b:Br-Ca +mp-1183444,CaBr,-3.37347876,-1.5941646550000002,0.2495956775,0.2495956775,GGA,P-6m2,AB_hP2_187_a_d:Br-Ca,2.0,AB_hP2_187_a_d:Br-Ca +mp-984523,CsCa3,-1.478174105,0.249876398,0.249876398,0.249876398,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Cs,4.0,A3B_tI8_139_ad_b:Ca-Cs +mp-1183935,CsCa3,-1.4679917575,0.2600587455,0.2600587455,0.2600587455,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Cs,4.0,A3B_cF16_225_ac_b:Ca-Cs +mp-22888,CaBr2,-4.1622326233,-2.45834711,0.0,-1.3955706733,GGA,Pnnm,A2B_oP6_58_g_a:Br-Ca,6.0,A2B_oP6_58_g_a:Br-Ca +mp-571166,CaBr2,-4.1616205583,-2.457735045,0.000612065,-1.3949586083,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Ca,6.0,A2B_tP6_136_f_a:Br-Ca +mp-30056,CsCaBr3,-3.86891267,-2.3568952216,0.0,-0.016981471,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Br-Ca-Cs,5.0,A3BC_cP5_221_c_b_a:Br-Ca-Cs +mp-1185563,Cs3Ca,-0.9557644675,0.2171872816,0.2171872816,0.2171872816,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Cs,8.0,AB3_hP8_194_c_h:Ca-Cs +mp-1025267,Cs2CaBr4,-3.7189448743,-2.2891565966,0.0,-0.00713193,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Br-Ca-Cs,7.0,A4BC2_tI14_139_ce_a_e:Br-Ca-Cs +mp-1192842,Lu5Mg24,-2.1246394393,-0.0207955152,0.0119613196,0.0119613196,GGA,I-43m,A5B24_cI58_217_ac_2g:Lu-Mg,29.0,A5B24_cI58_217_ac_2g:Lu-Mg +mp-2481,Mg2Cu,-2.5520047067,-0.1187491167,0.0,-0.0474279867,GGA,Fddd,AB2_oF48_70_e_ef:Cu-Mg,12.0,AB2_oF48_70_e_ef:Cu-Mg +mp-865014,Mg2Cu,-2.53457876,-0.10132317,0.0174259467,-0.03000204,GGA,Ibam,AB2_oI12_72_a_j:Cu-Mg,6.0,AB2_oI12_72_a_j:Cu-Mg +mp-1052023,Mg2Cu,-2.5361889617,-0.1029333717,0.015815745,-0.0316122417,GGA,I4/mcm,AB2_tI12_140_a_h:Cu-Mg,6.0,AB2_tI12_140_a_h:Cu-Mg +mp-1185860,MgCu5,-3.70527698,-0.02255808,0.04876305,0.04876305,GGA,R32,A5B_hR18_155_cd_b:Cu-Mg,6.0,A5B_hR18_155_cd_b:Cu-Mg +mp-1016285,Mg7Cu,-1.8856447512,0.0270011263,0.071532045,0.071532045,GGA,P-6m2,AB7_hP8_187_a_djk:Cu-Mg,8.0,AB7_hP8_187_a_djk:Cu-Mg +mp-1185803,Mg5Cu,-1.9972910367,0.0194767833,0.0788513417,0.0788513417,GGA,P-62m,AB5_hP6_189_a_cg:Cu-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2cg:Cu-Mg, expected Mg7Cu to be Mg5Cu" +mp-1016224,Mg3Cu,-2.185131315,0.03988039,0.1289422275,0.1289422275,GGA,Pmm2,AB3_oP4_25_a_bcd:Cu-Mg,4.0,AB3_oP4_25_a_bcd:Cu-Mg +mp-978279,Mg3Cu,-2.2321934825,-0.0071817775,0.08188006,0.08188006,GGA,Imm2,AB3_oI8_44_a_bc:Cu-Mg,4.0,"Invalid WP multiplicities - AB3_oI8_44_a_b2c:Cu-Mg, expected Mg5Cu to be Mg3Cu" +mp-2479851,Mg3Cu,-2.23656565,-0.011553945,0.0775078925,0.0775078925,GGA,Immm,AB3_oI8_71_a_bf:Cu-Mg,4.0,"Invalid WP multiplicities - AB3_oI8_71_a_b2f:Cu-Mg, expected Mg5Cu to be Mg3Cu" +mp-1222304,Lu3Mg,-3.7117936675,0.078989235,0.1020202675,0.1020202675,GGA,Cmmm,A3B_oC8_65_bk_c:Lu-Mg,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Lu-Mg, expected Lu5Mg to be Lu3Mg" +mp-1185475,Lu3Mg,-3.7807237025,0.0100591999999999,0.0330902325,0.0330902325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Mg,8.0,A3B_hP8_194_h_c:Lu-Mg +mp-1023610,Mg15Cu,-1.7363489475,0.0201140163,0.0423794756,0.0423794756,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Cu-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Cu-Mg, expected Mg27Cu to be Mg15Cu" +mp-1185856,MgCu3,-3.527659775,-0.05318476,0.053796935,0.053796935,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Mg,4.0,A3B_tI8_139_ad_b:Cu-Mg +mp-1038,MgCu2,-3.40887339,-0.14264226,0.0,-0.0760711208,GGA,Fd-3m,A2B_cF24_227_c_b:Cu-Mg,6.0,A2B_cF24_227_c_b:Cu-Mg +mp-973684,LuMg3,-2.3538604425000003,-0.023412775,0.0124952985,0.0124952985,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Mg,8.0,AB3_hP8_194_c_h:Lu-Mg +mp-1185492,LuMg3,-2.3561466775,-0.02569901,0.0102090635,0.0102090635,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Mg,4.0,AB3_cP4_221_a_c:Lu-Mg +mp-1185502,LuMg3,-2.3589666,-0.0285189325,0.007389141,0.007389141,GGA,Fm-3m,AB3_cF16_225_a_bc:Lu-Mg,4.0,AB3_cF16_225_a_bc:Lu-Mg +mp-972916,MgCu,-2.9390775375,-0.0893341775,0.0413615108,0.0413615108,GGA,Pmma,AB_oP4_51_e_f:Cu-Mg,4.0,AB_oP4_51_e_f:Cu-Mg +mp-2672345,MgCu,-2.9430872575,-0.0933438975,0.0373517908,0.0373517908,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Mg,4.0,AB_cP2_221_a_b:Cu-Mg +mp-2195,LuMg,-3.10667735,-0.046062065,0.0,-0.0270494433,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Mg,2.0,AB_cP2_221_a_b:Lu-Mg +mp-1185595,LuMg149,-1.6457760416,-0.0260248551,0.0,-0.0252207619,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Lu-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Lu-Mg, expected LuMg315 to be LuMg149" +mp-1210855,Mg4Cu,-1.758856095,0.341209279,0.412458749,0.412458749,GGA,Fd-3m,AB4_cF40_227_a_e:Cu-Mg,10.0,AB4_cF40_227_a_e:Cu-Mg +mp-1187885,Yb2CdGa,-2.2143707575,-0.4568201719,0.0,-0.0180023999999999,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ga-Yb,,ABC2_cF16_225_a_b_c:Cd-Ga-Yb +mp-1213756,Cr7Te8,-6.5212213567,-0.3400360609,0.0737428107,0.0737428107,GGA,C2/m,A7B8_mC30_12_afhi_2ij:Cr-Te,15.0,A7B8_mC30_12_aehi_2ij:Cr-Te +mp-1213754,Cr5Te8,-6.1219574408,-0.4749047872,0.0,-0.0067972996,GGA,C2/m,A5B8_mC26_12_ahi_2ij:Cr-Te,13.0,A5B8_mC26_12_ahi_2ij:Cr-Te +mp-1213750,Cr5Te8,-6.1135877631,-0.4665351095,0.0083696777,0.0015723781,GGA,P-3m1,A5B8_hP13_164_abe_di:Cr-Te,13.0,A5B8_hP13_164_abe_di:Cr-Te +mp-685055,CrTe2,-5.7900147633,-0.4767950111,0.0,-0.0111790064,GGA,P-3m1,AB2_hP3_164_a_d:Cr-Te,3.0,AB2_hP3_164_a_d:Cr-Te +mp-1226170,CrRh,-8.50484984,0.00382783,0.0761880183,0.0761880183,GGA,P-6m2,AB_hP2_187_a_d:Cr-Rh,2.0,AB_hP2_187_a_d:Cr-Rh +mp-1077939,Cr(Te2Rh)2,-5.8300703371,-0.5508007967,0.0338830879,0.0338830879,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Rh-Te,7.0,AB2C4_mC14_12_a_i_2i:Cr-Rh-Te +mp-1226350,Cr3Te5,-5.8117737425,-0.2273147579,0.2479444462,0.2479444462,GGA,P-3m1,A3B5_hP8_164_ac_b2d:Cr-Te,8.0,"Invalid WP multiplicities - A3B5_hP8_164_ac_b4d:Cr-Te, expected CrTe3 to be Cr3Te5" +mp-540922,CrTe3,-5.2212630206,-0.4505217331,0.0,-0.0929254748,GGA,P2_1/c,AB3_mP32_14_2e_6e:Cr-Te,32.0,AB3_mP32_14_2e_6e:Cr-Te +mp-1226086,Cr5Te6,-6.4680199868,-0.3657406495,0.0574422873,0.0574422873,GGA,P-1,A5B6_aP22_2_ac4i_6i:Cr-Te,22.0,"Invalid WP multiplicities - A5B6_aP22_2_ac6i_10i:Cr-Te, expected Cr7Te10 to be Cr5Te6" +mp-2750,Cr2Te3,-6.2127037545,-0.4655012305,0.0,-0.002469063,GGA,P-31c,A2B3_hP20_163_bcf_i:Cr-Te,20.0,A2B3_hP20_163_bcf_i:Cr-Te +mp-958,Cr3Rh,-9.0055370938,0.0753254763,0.1115055704,0.1115055704,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Rh,8.0,A3B_cP8_223_c_a:Cr-Rh +mp-12585,CrRh3,-8.0450330525,-0.1085402825,0.0,-0.1085402825,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Rh,4.0,AB3_cP4_221_a_c:Cr-Rh +mp-1078012,Cr3Te4,-6.3617019114,-0.428506771,0.0148277343,0.0148277343,GGA,C2/m,A3B4_mC14_12_ai_2i:Cr-Te,7.0,A3B4_mC14_12_ai_2i:Cr-Te +mp-570122,Cr3Te4,-6.3146585314,-0.381463391,0.0618711143,0.0618711143,GGA,P-3m1,A3B4_hP7_164_ac_2d:Cr-Te,7.0,"Invalid WP multiplicities - A3B4_hP7_164_ac_4d:Cr-Te, expected Cr3Te8 to be Cr3Te4" +mp-1079818,CrTe,-6.6454029663,-0.2472262846,0.1406914075,0.1406914075,GGA,Pnma,AB_oP8_62_c_c:Cr-Te,8.0,AB_hP4_194_a_c:Cr-Te +mp-794,CrTe,-6.6442423425,-0.2460656608,0.1418520312,0.1418520312,GGA,P6_3/mmc,AB_hP4_194_a_c:Cr-Te,4.0,AB_hP4_194_a_c:Cr-Te +mp-1008926,CrTe,-6.48567735,-0.0875006683,0.3004170237,0.3004170237,GGA,F-43m,AB_cF8_216_a_c:Cr-Te,2.0,AB_cF8_216_a_c:Cr-Te +mp-1009079,CrTe,-6.608614355,-0.2104376733,0.1774800187,0.1774800187,GGA,Fm-3m,AB_cF8_225_a_b:Cr-Te,2.0,AB_cF8_225_a_b:Cr-Te +mp-27932,Li9Ge4,-3.0887585081,-0.3447264142,0.0032214327,-0.0209967068,GGA,Cmcm,A4B9_oC52_63_2f_c4f:Ge-Li,26.0,"Invalid WP multiplicities - A4B9_oC52_63_2f_c5f:Ge-Li, expected Li11Ge4 to be Li9Ge4" +mp-2362521,Li9Ge4,-3.0919799408,-0.3479478469,0.0,-0.0242181395,GGA,P6_3/mmc,A4B9_hP26_194_ef_ce3f:Ge-Li,26.0,"Invalid WP multiplicities - A4B9_hP26_194_ef_ce4f:Ge-Li, expected Li11Ge4 to be Li9Ge4" +mp-983425,Li2PmGe,-3.673994865,-0.3761408873,0.005180115,0.005180115,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Pm,4.0,AB2C_cF16_225_a_c_b:Ge-Li-Pm +mp-29630,Li7Ge2,-2.8309004706,-0.318843162,0.0112702357,0.0112702357,GGA,Cmmm,A2B7_oC36_65_gj_achipq:Ge-Li,18.0,A2B7_oC36_65_gj_achipq:Ge-Li +mp-9918,LiGe,-3.5467761112,-0.2808007504,0.0,-0.0275460332,GGA,I4_1/a,AB_tI32_88_f_f:Ge-Li,16.0,AB_tI32_88_f_f:Ge-Li +mp-8490,LiGe,-3.54084922,-0.2748738592,0.0059268912,-0.0216191419,GGA,I4_1/amd,AB_tI24_141_ae_be:Ge-Li,12.0,AB_tI24_141_ae_be:Ge-Li +mp-867342,Li3Ge,-2.9148163825,-0.3273672688,0.008542325,0.008542325,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Li,4.0,AB3_cF16_225_a_bc:Ge-Li +mp-29631,Li11Ge6,-3.1841274812,-0.3172852069,0.0148633232,0.0148633232,GGA,Cmcm,A6B11_oC68_63_2c2f_3c4f:Ge-Li,34.0,A6B11_oC68_63_2c2f_3c4f:Ge-Li +mp-1185395,LiPm3,-3.8844634025,0.155674056,0.155674056,0.155674056,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Pm,4.0,AB3_cP4_221_a_c:Li-Pm +mp-1186581,PmGe3,-5.0626261788,-0.4077197069,0.0,-0.2940424812,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Pm,8.0,A3B_hP8_194_h_c:Ge-Pm +mp-1204063,Li22Ge5,-2.6853593807,-0.2738244792,0.0144063074,0.0144063074,GGA,F-43m,A5B22_cF432_216_2efg_abcd6efg4h:Ge-Li,108.0,A5B22_cF432_216_2efg_abcd6efg4h:Ge-Li +mp-862731,Pm3Ge,-5.0596953825,-0.3410316769,0.0,-0.2051251079,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Pm,4.0,AB3_cP4_221_a_c:Ge-Pm +mp-1777,Li15Ge4,-2.8079862847,-0.3276728942,0.0,-0.0230461583,GGA,I-43d,A4B15_cI76_220_c_ae:Ge-Li,38.0,"Invalid WP multiplicities - A4B15_cI76_220_c_a2e:Ge-Li, expected Li27Ge4 to be Li15Ge4" +mp-861955,LiPm2Ge,-4.4349912525,-0.4267324108,0.0,-0.0681461287,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Pm,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Pm +mp-1212365,Li12Ge7,-3.2287569789,-0.3199006955,0.0068428052,0.0068428052,GGA,Pnma,A7B12_oP152_62_4c5d_2c11d:Ge-Li,152.0,A7B12_oP152_62_4c5d_2c11d:Ge-Li +mp-1185206,Li3Pm,-2.4193616325,0.1999660981,0.1999660981,0.1999660981,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Pm,8.0,A3B_hP8_194_h_c:Li-Pm +mp-1185191,Li3Pm,-2.4157405075,0.2035872231,0.2035872231,0.2035872231,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pm,4.0,A3B_cF16_225_ac_b:Li-Pm +mp-1185336,LiGe3,-3.9389274225,0.0055741854,0.1459745606,0.1459745606,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Li,4.0,A3B_tI8_139_ad_b:Ge-Li +mp-570870,Hf5Sb9,-6.7612037779000005,-0.5507068986,0.0,-0.0045832714,GGA,P4/n,A5B9_tP28_85_cg_c2g:Hf-Sb,28.0,"Invalid WP multiplicities - A5B9_tP28_85_cg_2c10g:Hf-Sb, expected Hf5Sb42 to be Hf5Sb9" +mp-13450,HfSb,-7.68037225,-0.6372771150000001,0.0015439075,-0.0964264662,GGA,Cmcm,AB_oC24_63_cf_cf:Hf-Sb,12.0,AB_oC24_63_cf_cf:Hf-Sb +mp-1079914,HfSb,-7.6819161575,-0.6388210225000001,0.0,-0.0979703737,GGA,P2_13,AB_cP8_198_a_a:Hf-Sb,8.0,AB_cP8_198_a_a:Hf-Sb +mp-1224386,Hf4GeSb7,-6.64501771,-0.5321183221,0.0,-0.0087497545,GGA,Pm,AB4C7_mP12_6_a_2a2b_3a4b:Ge-Hf-Sb,12.0,AB4C7_mP12_6_a_2a2b_3a4b:Ge-Hf-Sb +mp-17466,Hf5Sb3,-8.3038450391,-0.5322264303,0.0,-0.0033118319,GGA,Pnma,A5B3_oP32_62_3cd_cd:Hf-Sb,32.0,"Invalid WP multiplicities - A5B3_oP32_62_3c2d_cd:Hf-Sb, expected Hf7Sb3 to be Hf5Sb3" +mp-1206519,Hf2Sb3,-3.634433912,2.825842444,3.4029835798,3.4029835798,GGA,P4/mmm,A2B3_tP5_123_g_ag:Hf-Sb,5.0,A2B3_tP5_123_g_ag:Hf-Sb +mp-2180,HfSb2,-6.6024045646000005,-0.5306740613,0.0,-0.0166809559,GGA,Pnnm,AB2_oP24_58_2g_4g:Hf-Sb,24.0,AB2_oP24_58_2g_4g:Hf-Sb +mp-1018717,HfSb2,-6.5437868,-0.4720562967,0.0586177646,0.0419368087,GGA,P4/nmm,AB2_tP6_129_c_ac:Hf-Sb,6.0,AB2_tP6_129_c_ac:Hf-Sb +mp-976582,HfSb3,-5.6511548262,-0.0651066388,0.3328989072,0.3328989072,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Sb,8.0,AB3_hP8_194_c_h:Hf-Sb +mp-976111,Ge3Sb,-4.214418585,0.2851026163,0.2851026163,0.2851026163,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Sb,4.0,A3B_cP4_221_c_a:Ge-Sb +mp-976122,Ge3Sb,-4.21388186,0.2856393413,0.2856393413,0.2856393413,GGA,Fm-3m,A3B_cF16_225_ac_b:Ge-Sb,4.0,A3B_cF16_225_ac_b:Ge-Sb +mp-1184683,GeSb3,-4.1002183737,0.15228952,0.15228952,0.15228952,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Sb,8.0,AB3_hP8_194_c_h:Ge-Sb +mp-1224311,GeSb,-4.22852197,0.1474925775,0.1474925775,0.1474925775,GGA,P4/mmm,AB_tP2_123_a_b:Ge-Sb,2.0,AB_tP2_123_a_b:Ge-Sb +mp-1224310,GeSb,-4.202810595,0.1732039525,0.1732039525,0.1732039525,GGA,F-43m,AB_cF8_216_a_c:Ge-Sb,2.0,AB_cF8_216_a_c:Ge-Sb +mp-9935,GeSb,-4.326589055,0.0494254925,0.0494254925,0.0494254925,GGA,Fm-3m,AB_cF8_225_a_b:Ge-Sb,2.0,AB_cF8_225_a_b:Ge-Sb +mp-15964,Hf3Sb,-8.9191502569,-0.4190081744,0.0,-0.0641905542,GGA,I-4,A3B_tI32_82_3g_g:Hf-Sb,16.0,A3B_tI32_82_3g_g:Hf-Sb +mp-17688,CsGaTe2,-3.5033790006,-0.9508514553,0.0,-0.1340472613,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Cs-Ga-Te,32.0,"Invalid WP multiplicities - ABC2_mC64_15_2f_3f_3e4f:Cs-Ga-Te, expected Cs4Ga6Te11 to be CsGaTe2" +mp-30574,CsGa7,-2.869426365,-0.1079170488,0.0,-0.0289032621,GGA,R-3m,AB7_hR48_166_c_c2h:Cs-Ga,16.0,"Invalid WP multiplicities - AB7_hR48_166_c_c3h:Cs-Ga, expected CsGa10 to be CsGa7" +mp-1200207,Cs8Ga11,-2.2718665555,-0.1417468069,0.0,-0.0197606098,GGA,R-3c,A8B11_hR114_167_cf_cef:Cs-Ga,38.0,A8B11_hR114_167_cf_cef:Cs-Ga +mp-574338,CsGa3,-2.6529501833,-0.1580275734,0.0,-0.035826849,GGA,I-4m2,AB3_tI24_119_af_b2i:Cs-Ga,12.0,"Invalid WP multiplicities - AB3_tI24_119_af_b4i:Cs-Ga, expected Cs3Ga17 to be CsGa3" +mp-7623,MgAs4,-4.2729072595,-0.2255565255,0.0,-0.0168477992,GGA,P4_12_12,A4B_tP20_92_2b_a:As-Mg,20.0,"Invalid WP multiplicities - A4B_tP20_92_3b_a:As-Mg, expected MgAs6 to be MgAs4" +mp-1185845,MgAs,-3.523796685,-0.3940974575,0.1318863081,0.1318863081,GGA,R32,AB_hR18_155_ac_e:As-Mg,6.0,AB_hR18_155_ac_e:As-Mg +mp-973740,MgAs,-3.505713215,-0.3760139875,0.1499697781,0.1499697781,GGA,P-6m2,AB_hP2_187_a_d:As-Mg,2.0,AB_hP2_187_a_d:As-Mg +mp-973307,Mg5As,-2.1479450217,-0.0378585792,0.2230273288,0.2230273288,GGA,Cm,AB5_mC12_8_a_5a:As-Mg,6.0,AB5_mC12_8_a_5a:As-Mg +mp-1185806,Mg5As,-2.2099157917,-0.0998293492,0.1610565588,0.1610565588,GGA,Amm2,AB5_oC12_38_a_2a3b:As-Mg,6.0,AB5_oC12_38_a_2a3b:As-Mg +mp-1206394,Eu(MgAs)2,-5.516984138,-0.961824396,0.0,-0.1324515896,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Eu-Mg,5.0,A2BC2_hP5_164_d_a_d:As-Eu-Mg +mp-7891,Mg3As2,-3.430370588,-0.6065551960000001,0.019570983,-0.240283486,GGA,P-3m1,A2B3_hP5_164_d_ad:As-Mg,5.0,A2B3_hP5_164_d_ad:As-Mg +mp-1990,Mg3As2,-3.449941571,-0.626126179,0.0,-0.259854469,GGA,Ia-3,A2B3_cI80_206_ad_e:As-Mg,40.0,A2B3_cI80_206_ad_e:As-Mg +mp-7844,Mg3As2,-3.284197791,-0.460382399,0.16574378,-0.094110689,GGA,Pn-3m,A2B3_cP10_224_b_d:As-Mg,10.0,A2B3_cP10_224_b_d:As-Mg +mp-978259,Mg2As,-2.9537416867,-0.3338488517,0.1879229642,0.1879229642,GGA,Cmcm,AB2_oC12_63_c_2c:As-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:As-Mg, expected Mg3As to be Mg2As" +mp-1185758,Mg2As,-2.9676140467,-0.3477212117,0.1740506042,0.1740506042,GGA,Immm,AB2_oI12_71_e_fg:As-Mg,6.0,"Invalid WP multiplicities - AB2_oI12_71_e_2fg:As-Mg, expected Mg3As to be Mg2As" +mp-1206317,La2CdSb3,-2.0754725617,1.78817872,2.7446338442,2.7446338442,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cd-La-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cd-La-Sb +mp-1094226,Zr4Sn3,-6.8111590357,-0.2083707379,0.3779979899,0.3779979899,GGA,P6_3/m,A3B4_hP14_176_h_ch:Sn-Zr,14.0,"Invalid WP multiplicities - A3B4_hP14_176_h_2c3h:Sn-Zr, expected Zr11Sn3 to be Zr4Sn3" +mp-1094315,Zr4Sn3,-6.9352926486,-0.3325043507,0.253864377,0.253864377,GGA,P6_3/m,A3B4_hP14_176_h_ch:Sn-Zr,14.0,"Invalid WP multiplicities - A3B4_hP14_176_h_c2h:Sn-Zr, expected Zr7Sn3 to be Zr4Sn3" +mp-1216300,Zr20Sn13,-7.3251847745,-0.5652318438,0.007346828,0.007346828,GGA,P2/m,A13B20_mP33_10_amn2o_ijklmn2o:Sn-Zr,33.0,"Invalid WP multiplicities - A13B20_mP33_10_a2m2n6o_2ij2kl2m2n6o:Sn-Zr, expected Zr4Sn3 to be Zr20Sn13" +mp-864947,ZrSnRh2,-7.5621850925,-0.7407130362000001,0.0,-0.0515998385,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Zr,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Zr +mp-1094276,ZrSn,-6.5233761983,-0.2447399558,0.3064096112,0.3064096112,GGA,P2_1/m,AB_mP12_11_3e_3e:Sn-Zr,12.0,AB_mP12_11_5e_5e:Sn-Zr +mp-1094289,ZrSn,-6.5676095392,-0.2889732967,0.2621762704,0.2621762704,GGA,P2_1/m,AB_mP12_11_3e_3e:Sn-Zr,12.0,AB_mP12_11_4e_4e:Sn-Zr +mp-1094263,ZrSn,-6.5280686325,-0.24943239,0.3017171771,0.3017171771,GGA,Pmm2,AB_oP8_25_abe_cdf:Sn-Zr,8.0,"Invalid WP multiplicities - AB_oP8_25_abe_cd2f:Sn-Zr, expected Zr3Sn2 to be ZrSn" +mp-1094269,ZrSn,-6.5661710083,-0.2875347658,0.2636148012,0.2636148012,GGA,Pmc2_1,AB_oP12_26_2ab_a2b:Sn-Zr,12.0,AB_oP12_26_2a4b_4a2b:Sn-Zr +mp-1094278,ZrSn,-6.5620239225,-0.28338768,0.2677618871,0.2677618871,GGA,Pmc2_1,AB_oP12_26_2ab_a2b:Sn-Zr,12.0,AB_oP12_26_2a4b_4a2b:Sn-Zr +mp-1094237,ZrSn,-6.516780293,-0.2381440505,0.3130055166,0.3130055166,GGA,Amm2,AB_oC20_38_ade_bde:Sn-Zr,10.0,"Invalid WP multiplicities - AB_oC20_38_a2d2e_b2de:Sn-Zr, expected Zr7Sn9 to be ZrSn" +mp-1094544,ZrSn,-6.599054403,-0.3204181605,0.2307314066,0.2307314066,GGA,Amm2,AB_oC20_38_ade_bde:Sn-Zr,10.0,"Invalid WP multiplicities - AB_oC20_38_ad2e_b2d2e:Sn-Zr, expected Zr9Sn7 to be ZrSn" +mp-1094898,ZrSn,-6.61534298,-0.3367067375,0.2144428296,0.2144428296,GGA,Pmma,AB_oP4_51_e_f:Sn-Zr,4.0,AB_oP4_51_e_f:Sn-Zr +mp-1094291,ZrSn,-6.5151397346,-0.2365034921,0.314646075,0.314646075,GGA,Pbcm,AB_oP24_57_3d_3d:Sn-Zr,24.0,AB_oP24_57_9d_9d:Sn-Zr +mp-1094528,ZrSn,-6.655317475,-0.3766812325,0.1744683346,0.1744683346,GGA,Pbcm,AB_oP8_57_d_d:Sn-Zr,8.0,AB_tP4_129_c_c:Sn-Zr +mp-1094261,ZrSn,-6.4013141063,-0.1226778638,0.4284717033,0.4284717033,GGA,Pmmn,AB_oP8_59_ab_ab:Sn-Zr,8.0,AB_oP8_59_2ab_2ab:Sn-Zr +mp-1094283,ZrSn,-6.4779432606,-0.1993070181,0.351842549,0.351842549,GGA,Pmmn,AB_oP16_59_2e_abe:Sn-Zr,16.0,AB_oP16_59_6e_2a2b4e:Sn-Zr +mp-1094542,ZrSn,-6.5393742775,-0.260738035,0.2904115321,0.2904115321,GGA,Pmmn,AB_oP16_59_abe_2e:Sn-Zr,16.0,AB_oP16_59_2a2b4e_6e:Sn-Zr +mp-1094597,ZrSn,-6.5754736406,-0.2968373981,0.254312169,0.254312169,GGA,Pmmn,AB_oP16_59_2ae_2be:Sn-Zr,16.0,"Invalid WP multiplicities - AB_oP16_59_4a3e_4b2e:Sn-Zr, expected Zr4Sn5 to be ZrSn" +mp-1094703,ZrSn,-6.5554056775,-0.276769435,0.2743801321,0.2743801321,GGA,Pmmn,AB_oP4_59_a_b:Sn-Zr,4.0,AB_oP4_59_a_b:Sn-Zr +mp-1094260,ZrSn,-6.676457045,-0.3978208025,0.1533287646,0.1533287646,GGA,Pnma,AB_oP8_62_c_c:Sn-Zr,8.0,AB_oP8_62_c_c:Sn-Zr +mp-1094268,ZrSn,-6.4693762375,-0.190739995,0.3604095721,0.3604095721,GGA,P-6m2,AB_hP8_187_ak_dj:Sn-Zr,8.0,AB_hP8_187_ak_dj:Sn-Zr +mp-1094874,ZrSn,-6.537823575,-0.2591873325,0.2919622346,0.2919622346,GGA,Pm-3m,AB_cP2_221_a_b:Sn-Zr,2.0,AB_cP2_221_a_b:Sn-Zr +mp-1094312,ZrSn3,-5.27668961,-0.1325855612,0.1873125075,0.1873125075,GGA,I4/mmm,A3B_tI8_139_ad_b:Sn-Zr,4.0,A3B_tI8_139_ad_b:Sn-Zr +mp-1094224,ZrSn3,-5.0199420475,0.1241620013,0.44406007,0.44406007,GGA,Fm-3m,A3B_cF16_225_ac_b:Sn-Zr,4.0,A3B_cF16_225_ac_b:Sn-Zr +mp-510522,Zr5Sn3,-7.4109395744,-0.565037235,0.0,-0.0261462374,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Zr,16.0,A3B5_hP16_193_g_dg:Sn-Zr +mp-1094267,Zr3Sn,-7.7581958313,-0.345027395,0.031664095,0.031664095,GGA,Pmmn,AB3_oP8_59_a_be:Sn-Zr,8.0,"Invalid WP multiplicities - AB3_oP8_59_a_2b3e:Sn-Zr, expected Zr8Sn to be Zr3Sn" +mp-1094255,Zr3Sn,-7.7488151725,-0.3356467363,0.0410447537,0.0410447537,GGA,I4/mmm,AB3_tI8_139_a_bd:Sn-Zr,4.0,AB3_tI8_139_a_bd:Sn-Zr +mp-1188061,Zr3Sn,-7.7770816488,-0.3639132125,0.0127782775,0.0127782775,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Zr,8.0,AB3_hP8_194_c_h:Sn-Zr +mp-30876,Zr3Sn,-7.778209848799999,-0.3650414125,0.0116500775,0.0116500775,GGA,Pm-3n,AB3_cP8_223_a_c:Sn-Zr,8.0,AB3_cP8_223_a_c:Sn-Zr +mp-1188413,Zr3Rh,-8.6687746637,-0.4169222238,0.0,-0.0048979562,GGA,I-42m,AB3_tI32_121_f_g2i:Rh-Zr,16.0,AB3_tI32_121_f_g2i:Rh-Zr +mp-1188054,Zr3Rh,-8.48753168,-0.23567924,0.1812429837,0.1763450275,GGA,I4/mmm,AB3_tI8_139_a_bd:Rh-Zr,4.0,AB3_tI8_139_a_bd:Rh-Zr +mp-543001,Zr5Sn4,-7.1234436778,-0.59268917,0.0,-0.0377299366,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Sn-Zr,18.0,A4B5_hP18_193_bg_dg:Sn-Zr +mp-571664,Zr2Rh,-8.7026020667,-0.54936569,0.0,-0.0057437917,GGA,I4/mcm,AB2_tI12_140_a_h:Rh-Zr,6.0,AB2_tI12_140_a_h:Rh-Zr +mp-1080815,ZrSnRh,-7.3983434989,-0.7578167139,0.0135119606,-0.0802915007,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Zr,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-Zr +mp-4667,ZrSnRh,-7.4118554594,-0.7713286744000001,0.0,-0.0938034613,GGA,P-62c,ABC_hP18_190_bf_g_h:Rh-Sn-Zr,18.0,ABC_hP18_190_bf_g_h:Rh-Sn-Zr +mp-1017545,ZrRh,-8.7021454525,-0.7461412025,0.050880045,-0.0552063996,GGA,Pmma,AB_oP4_51_e_f:Rh-Zr,4.0,AB_oP4_51_e_f:Rh-Zr +mp-2808,ZrRh,-8.70698976,-0.75098551,0.0460357375,-0.0600507071,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Zr,2.0,AB_cP2_221_a_b:Rh-Zr +mp-669917,ZrRh,-8.7530254975,-0.7970212475,0.0,-0.1060864446,GGA,Pnma,AB_oP8_62_c_c:Rh-Zr,8.0,AB_oP8_62_c_c:Rh-Zr +mp-567181,ZrRh,-8.751711165,-0.795706915,0.0013143325,-0.1047721121,GGA,Cmcm,AB_oC16_63_2c_2c:Rh-Zr,8.0,"Invalid WP multiplicities - AB_oC16_63_2c_3c:Rh-Zr, expected Zr3Rh2 to be ZrRh" +mp-1215257,ZrRh,-8.701362275,-0.745358025,0.0516632225,-0.0544232221,GGA,P4/mmm,AB_tP2_123_a_d:Rh-Zr,2.0,AB_tP2_123_a_d:Rh-Zr +mp-1215783,Zr10Sn7,-7.2529051435,-0.5738457738,0.0058307209,0.0058307209,GGA,P-31m,A7B10_hP17_162_ak_cdk:Sn-Zr,17.0,A7B10_hP17_162_ak_cdk:Sn-Zr +mp-2626,Zr3Rh5,-8.6051917925,-0.7971116375,0.0,-0.0618910913,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Rh-Zr,16.0,"Invalid WP multiplicities - A5B3_oC32_63_cf2g_ce:Rh-Zr, expected Zr3Rh7 to be Zr3Rh5" +mp-1094254,Zr5Sn,-7.976060535,-0.1847147008,0.0664129592,0.0664129592,GGA,P-62m,AB5_hP6_189_a_cg:Sn-Zr,6.0,AB5_hP6_189_a_cg:Sn-Zr +mp-1094290,Zr2Sn,-7.2323050696,-0.1973140312,0.3049412888,0.3049412888,GGA,P2_1/m,AB2_mP24_11_4e_8e:Sn-Zr,24.0,AB2_mP24_11_8e_16e:Sn-Zr +mp-1094277,Zr2Sn,-7.2769928092,-0.2420017708,0.2602535492,0.2602535492,GGA,Pmmn,AB2_oP12_59_e_abe:Sn-Zr,12.0,"Invalid WP multiplicities - AB2_oP12_59_e_2a2b4e:Sn-Zr, expected Zr6Sn to be Zr2Sn" +mp-1094272,Zr2Sn,-7.45230343,-0.4173123917,0.0849429283,0.0849429283,GGA,Cmcm,AB2_oC12_63_c_g:Sn-Zr,6.0,AB2_oC12_63_c_g:Sn-Zr +mp-1094253,Zr2Sn,-7.355168675,-0.3201776367,0.1820776833,0.1820776833,GGA,P-62m,AB2_hP6_189_c_ag:Sn-Zr,6.0,"Invalid WP multiplicities - AB2_hP6_189_c_a2g:Sn-Zr, expected Zr7Sn2 to be Zr2Sn" +mp-229,ZrRh3,-8.333575905,-0.6734198450000001,0.0,-0.1420120867,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Zr,4.0,A3B_cP4_221_c_a:Rh-Zr +mp-755328,ZrSn2,-5.948812205,-0.4265307583,0.0,-0.0709172563,GGA,Fddd,A2B_oF24_70_e_a:Sn-Zr,6.0,A2B_oF24_70_e_a:Sn-Zr +mp-1184798,InPb,-3.189617115,0.042548285,0.0437232817,0.0437232817,GGA,Cm,AB_mC4_8_a_a:In-Pb,2.0,AB_mC4_8_a_a:In-Pb +mp-1223654,InPb,-3.20904931,0.02311609,0.0242910867,0.0242910867,GGA,R-3m,AB_hR6_166_a_b:In-Pb,2.0,AB_hR6_166_a_b:In-Pb +mp-1093713,Mg2InPb,-1.1208584075,1.2953643175,1.3514237615,1.3514237615,GGA,Immm,AB2C_oI8_71_a_e_b:In-Mg-Pb,4.0,AB2C_oI8_71_a_e_b:In-Mg-Pb +mp-1184932,In3Pb,-2.9492617275,0.0426628375,0.0444253325,0.0426628375,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Pb,8.0,A3B_hP8_194_h_c:In-Pb +mp-1184921,In3Pb,-2.99368706,-0.001762495,0.0,-0.001762495,GGA,Fm-3m,A3B_cF16_225_ac_b:In-Pb,4.0,A3B_cF16_225_ac_b:In-Pb +mp-1223890,In4Pb,-2.903761804,0.040114594,0.04152459,0.04152459,GGA,C2/m,A4B_mC10_12_2i_a:In-Pb,5.0,"Invalid WP multiplicities - A4B_mC10_12_3i_a:In-Pb, expected In6Pb to be In4Pb" +mp-867326,Al2RuRh,-6.9586091475,-0.92614363,0.0,-0.0449222075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Rh-Ru +mp-1219522,RuRh4,-7.732777618,0.013549186,0.013549186,0.013549186,GGA,R-3m,A4B_hR15_166_2c_a:Rh-Ru,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Rh-Ru, expected RuRh6 to be RuRh4" +mp-974341,RuRh3,-7.7941403588,0.0476911788,0.0476911788,0.0476911788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-Ru,8.0,A3B_hP8_194_h_c:Rh-Ru +mp-974335,RuRh3,-7.7870886125,0.054742925,0.054742925,0.054742925,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Ru,4.0,A3B_cP4_221_c_a:Rh-Ru +mp-1186926,Ru3Rh,-8.78334897,0.0135299025,0.0135299025,0.0135299025,GGA,P6_3/mmc,AB3_hP8_194_c_h:Rh-Ru,8.0,AB3_hP8_194_c_h:Rh-Ru +mp-1219503,RuRh,-8.28703698,0.032318225,0.032318225,0.032318225,GGA,P-6m2,AB_hP2_187_a_d:Rh-Ru,2.0,AB_hP2_187_a_d:Rh-Ru +mp-1189085,Er5Tl3,-4.0137014444,-0.2728860081,0.0194290781,-0.0422729731,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Er-Tl,16.0,A5B3_tI32_140_cl_ah:Er-Tl +mp-1105965,Er5Tl3,-4.0331305225,-0.2923150862,0.0,-0.0617020513,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Tl,16.0,A5B3_hP16_193_dg_g:Er-Tl +mp-1105801,Er3Tl5,-3.4306064206,-0.2410599002,0.0118854681,0.0118854681,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Er-Tl,16.0,A3B5_oC32_63_ce_cfg:Er-Tl +mp-1054,ErTl,-3.772665025,-0.3074840467,0.0,-0.0407965534,GGA,P4/mmm,AB_tP2_123_a_d:Er-Tl,2.0,AB_tP2_123_a_d:Er-Tl +mp-217,ErTl,-3.763909095,-0.2987281167,0.00875593,-0.0320406234,GGA,Pm-3m,AB_cP2_221_a_b:Er-Tl,2.0,AB_cP2_221_a_b:Er-Tl +mp-1184108,Er2TlZn,-3.50850038,-0.3190442858,0.0118350856,0.0118350856,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Tl-Zn +mp-1018688,ErTlZn,-3.0122821933,-0.2822470044,0.03018433,0.03018433,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Er-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Er-Tl-Zn +mp-2431,ErTl3,-3.1123187525,-0.19840669,0.0,-0.0377000899,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Tl,4.0,AB3_cP4_221_a_c:Er-Tl +mp-1187257,TaZn3,-3.975073365,-0.06582125,0.0011400359,0.0011400359,GGA,Pm-3m,AB3_cP4_221_a_c:Ta-Zn,4.0,AB3_cP4_221_a_c:Ta-Zn +mp-865234,TaZnRu2,-8.2630954725,-0.3465138925,0.0,-0.1201259892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Zn,4.0,A2BC_cF16_225_c_a_b:Ru-Ta-Zn +mp-1105040,Ta6Zn7,-6.2371350462,-0.0859911192,0.0,-0.0138789651,GGA,R-3m,A6B7_hR39_166_3c_ah:Ta-Zn,13.0,A6B7_hR39_166_3c_ah:Ta-Zn +mp-862679,TaZn2,-4.8817033312,-0.0892817146,0.0,-0.0155147585,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Ta-Zn,24.0,AB2_hP24_194_ef_fgh:Ta-Zn +mp-1102895,TaZn2,-4.8765989417,-0.084177325,0.0051043896,-0.0104103689,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ta-Zn,12.0,AB2_hP12_194_f_ah:Ta-Zn +mp-983567,CaAc3,-3.5329375525,0.0593436731,0.0593436731,0.0593436731,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Ca,8.0,A3B_hP8_194_h_c:Ac-Ca +mp-1183486,Ca3Ac,-2.477232105,0.0572615569,0.0572615569,0.0572615569,GGA,Fm-3m,AB3_cF16_225_a_bc:Ac-Ca,4.0,AB3_cF16_225_a_bc:Ac-Ca +mp-1183488,CaAcMg2,-2.423085165,-0.0912514181,0.0,-0.0116498469,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Mg,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Mg +mp-568683,La16Al13,-4.7656412972,-0.3632757983,0.0056614594,0.0056614594,GGA,P-62m,A13B16_hP29_189_cegi_fghi:Al-La,29.0,"Invalid WP multiplicities - A13B16_hP29_189_c2e2g4i_3f2g2h4i:Al-La, expected La47Al36 to be La16Al13" +mp-1222875,LaErAl4,-4.5562068633,-0.4752019908,0.028781595,0.028781595,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Er-La,6.0,A4BC_cF24_216_e_a_c:Al-Er-La +mp-959,LaAl3,-4.4844384362,-0.4412547875,0.0,-0.0109990627,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-La,8.0,A3B_hP8_194_h_c:Al-La +mp-2694,LaAl2,-4.64342495,-0.501038695,0.0,-0.0696998562,GGA,Fd-3m,A2B_cF24_227_c_b:Al-La,6.0,A2B_cF24_227_c_b:Al-La +mp-1104765,LaAl4,-4.3365625293,-0.3529004443,0.0203583773,0.0203583773,GGA,Imm2,A4B_oI30_44_2a2b4c_ac:Al-La,15.0,A4B_oI30_44_2a2b4c_ac:Al-La +mp-21109,LaAl4,-4.342397184,-0.358735099,0.0145237227,0.0145237227,GGA,I4/mmm,A4B_tI10_139_de_a:Al-La,5.0,"Invalid WP multiplicities - A4B_tI10_139_2de_a:Al-La, expected LaAl6 to be LaAl4" +mp-973464,LaEr3,-4.6120651525,0.0477257313,0.0477257313,0.0477257313,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-La,4.0,A3B_tI8_139_ad_b:Er-La +mp-1211397,La4Al,-4.288078691,0.409842159,0.5744449355,0.5744449355,GGA,Fd-3m,AB4_cF40_227_a_e:Al-La,10.0,AB4_cF40_227_a_e:Al-La +mp-16505,La3Al11,-4.4005884121,-0.3999201661,0.0,-0.0176080132,GGA,Immm,A11B3_oI28_71_bf2n_ag:Al-La,14.0,A11B3_oI28_71_bf2n_ag:Al-La +mp-1084828,La3Al,-4.8397908137000005,-0.2013915275,0.0043619431,0.0043619431,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-La,8.0,AB3_hP8_194_c_h:Al-La +mp-10889,La3Al,-4.8188165625,-0.1804172763,0.0253361944,0.0253361944,GGA,Pm-3m,AB3_cP4_221_a_c:Al-La,4.0,AB3_cP4_221_a_c:Al-La +mp-12684,LaAl,-4.7522984087,-0.4115069412,0.0,-0.0156030885,GGA,Cmcm,AB_oC16_63_ac_g:Al-La,8.0,AB_oC16_63_ac_g:Al-La +mp-972912,La3Er,-4.8116639175,0.0322711138,0.0322711138,0.0322711138,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-La,4.0,AB3_tI8_139_a_bd:Er-La +mp-13378,TbZnRh,-5.1479978067,-0.72852528,0.0,-0.0962944819,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Tb-Zn,12.0,ABC_oP12_62_c_c_c:Rh-Tb-Zn +mp-1208469,Tb4Rh,-5.09982742,0.080527034,0.486929257,0.486929257,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Tb,10.0,AB4_cF40_227_a_e:Rh-Tb +mp-1104493,TbZn12,-1.70746711,-0.1881371546,0.0,-0.0053313631,GGA,I4/mmm,AB12_tI26_139_a_fij:Tb-Zn,13.0,AB12_tI26_139_a_fij:Tb-Zn +mp-11561,TbRh,-6.85192904,-0.852592055,0.0,-0.110171607,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Tb,2.0,AB_cP2_221_a_b:Rh-Tb +mp-1188983,TbZn3,-2.4699664825,-0.36656725,0.0,-0.0085141288,GGA,Pnma,AB3_oP16_62_c_3c:Tb-Zn,16.0,AB3_oP16_62_c_3c:Tb-Zn +mp-1202922,Tb3Rh2,-6.4720908029,-0.7457479949,0.0,-0.0185609896,GGA,I4/mcm,A2B3_tI140_140_acfh2l_bgh2m:Rh-Tb,70.0,A2B3_tI140_140_acfh2l_bgh2m:Rh-Tb +mp-11562,TbRh5,-7.20766275,-0.298345175,0.0700920933,0.0700920933,GGA,P6/mmm,A5B_hP6_191_cg_a:Rh-Tb,6.0,A5B_hP6_191_cg_a:Rh-Tb +mp-2338,TbZn2,-2.7769710783,-0.392353305,0.0,-0.03344019,GGA,Imma,AB2_oI12_74_e_h:Tb-Zn,6.0,AB2_oI12_74_e_h:Tb-Zn +mp-1187382,TbZnRh2,-5.7922825975,-0.636601235,0.009016595,0.009016595,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tb-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Tb-Zn +mp-1310,TbRh2,-7.1912018167,-0.7368745367,0.0,-0.1614059217,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Tb,6.0,A2B_cF24_227_c_b:Rh-Tb +mp-1104325,Tb3Zn11,-2.3253063707,-0.34242937,0.0048926648,0.0048926648,GGA,Immm,A3B11_oI28_71_ag_bf2n:Tb-Zn,14.0,A3B11_oI28_71_ag_bf2n:Tb-Zn +mp-568012,Tb2Zn17,-1.8651223237,-0.2501552937,0.0,-0.0240146686,GGA,R-3m,A2B17_hR57_166_c_cdfh:Tb-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_2c2d3f4h:Tb-Zn, expected TbZn26 to be Tb2Zn17" +mp-30880,Tb2Zn17,-1.8627106003,-0.2477435703,0.0024117234,-0.0216029452,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Tb-Zn,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_fgj2k:Tb-Zn, expected Tb2Zn23 to be Tb2Zn17" +mp-1201388,Tb13Zn58,-2.2081485889,-0.3305163539,0.0,-0.0144830165,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Tb-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Tb-Zn +mp-1105551,Tb5Rh3,-6.3534859225,-0.6953916588,0.0143648263,0.0143648263,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Rh-Tb,16.0,A3B5_hP16_193_g_dg:Rh-Tb +mp-1187315,Tb3Zn,-3.8305463625,-0.039835885,0.1319665375,0.1319665375,GGA,Pm-3m,A3B_cP4_221_c_a:Tb-Zn,4.0,A3B_cP4_221_c_a:Tb-Zn +mp-836,TbZn,-3.2906597,-0.343604845,0.0,-0.0493398662,GGA,Pm-3m,AB_cP2_221_a_b:Tb-Zn,2.0,AB_cP2_221_a_b:Tb-Zn +mp-1105609,Tb3Rh,-5.8248543213,-0.5080027787,0.0,-0.0065178158,GGA,Pnma,AB3_oP16_62_c_cd:Rh-Tb,16.0,AB3_oP16_62_c_cd:Rh-Tb +mp-1106174,Tb7Rh3,-6.0551305865,-0.6017819555,0.0,-0.0145307714,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Rh-Tb,20.0,A3B7_hP20_186_c_b2c:Rh-Tb +mp-1193291,Tb6Zn23,-2.2757617779,-0.3178204114,0.0255198548,0.0255198548,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Tb-Zn,29.0,A6B23_cF116_225_e_ad2f:Tb-Zn +mp-1079895,Np3Si2,-9.706767249,0.2320277718,0.3661246465,0.3661246465,GGA,P4/mbm,A3B2_tP10_127_ah_g:Np-Si,10.0,A3B2_tP10_127_ah_g:Np-Si +mp-1079393,Co3Si,-6.9439097887,-0.256341935,0.0688350594,0.0688350594,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Si,8.0,A3B_hP8_194_h_c:Co-Si +mp-7577,CoSi,-6.8472125313,-0.5803946188,0.0,-0.15222668,GGA,P2_13,AB_cP8_198_a_a:Co-Si,8.0,AB_cP8_198_a_a:Co-Si +mp-22746,CoSi,-6.64609891,-0.3792809975,0.2011136213,0.0488869412,GGA,Pm-3m,AB_cP2_221_a_b:Co-Si,2.0,AB_cP2_221_a_b:Co-Si +mp-1220075,Np2Si3,-8.415675078,0.0186276125,0.2197729246,0.2197729246,GGA,P-6m2,A2B3_hP5_187_i_abc:Np-Si,5.0,A2B3_hP5_187_i_abc:Np-Si +mp-21130,Np(CoSi)2,-8.094823738,-0.4918134717,0.0,-0.0274977767,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Np-Si +mp-19905,Co2Si,-6.9808871992,-0.4335693258,0.0,-0.04663958,GGA,Pnma,A2B_oP12_62_2c_c:Co-Si,12.0,A2B_oP12_62_2c_c:Co-Si +mp-21298,NpSi2,-8.1563000383,-0.2234947913,0.0,-0.0539106433,GGA,I4_1/amd,AB2_tI12_141_a_e:Np-Si,6.0,AB2_tI12_141_a_e:Np-Si +mp-1105498,Co2Si3,-6.3815850775000005,-0.2830671415,0.202750637,0.202750637,GGA,P-4c2,A2B3_tP20_116_adi_ej:Co-Si,20.0,A2B3_tP20_116_adi_ej:Co-Si +mp-20425,NpSi3,-7.493700985,-0.1877675422,0.0,-0.0201464487,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Si,4.0,AB3_cP4_221_a_c:Np-Si +mp-20765,NpSi,-9.073513565,0.1130352906,0.2806563841,0.2806563841,GGA,Pnma,AB_oP8_62_c_c:Np-Si,8.0,AB_oP8_62_c_c:Np-Si +mp-19937,NpSi,-9.319766215,-0.1332173594,0.0344037341,0.0344037341,GGA,Cmcm,AB_oC16_63_2c_f:Np-Si,8.0,AB_oC16_63_2c_f:Np-Si +mp-2379,CoSi2,-6.4090845033,-0.4227665517,0.0,-0.0358368058,GGA,Fm-3m,AB2_cF12_225_a_c:Co-Si,3.0,AB2_cF12_225_a_c:Co-Si +mp-2731,TiGa3,-4.6190734475,-0.3741284265,0.0,-0.0430740763,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Ti,4.0,A3B_tI8_139_ad_b:Ga-Ti +mp-1238909,Ti13Pt42,-6.4248896629,0.0774557127,0.8858687251,0.8858687251,GGA,P-1,A42B13_aP55_2_21i_a6i:Pt-Ti,55.0,"Invalid WP multiplicities - A42B13_aP55_2_41i_a12i:Pt-Ti, expected Ti25Pt82 to be Ti13Pt42" +mp-1193532,Ti6Ga16Pt7,-5.3100268431,-0.5403571293,0.0823695078,0.0823695078,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Pt-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Pt-Ti +mp-571342,TiGa2,-5.0919671542,-0.4414058003,0.0,-0.0199078381,GGA,I4_1/amd,A2B_tI24_141_2e_e:Ga-Ti,12.0,A2B_tI24_141_2e_e:Ga-Ti +mp-569708,TiPt3,-7.3762384296,-0.8490154355,0.0,-0.1471747102,GGA,P-3m1,A3B_hP28_164_e3i_ac2d:Pt-Ti,28.0,"Invalid WP multiplicities - A3B_hP28_164_2e11i_a2c3d:Pt-Ti, expected Ti11Pt72 to be TiPt3" +mp-972220,TiPt3,-7.3654169212,-0.8381939271000001,0.0108215084,-0.1363532018,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pt-Ti,8.0,A3B_hP8_194_h_c:Pt-Ti +mp-1189793,TiPt3,-7.3734042956,-0.8461813015,0.002834134,-0.1443405762,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pt-Ti,16.0,A3B_hP16_194_gh_ac:Pt-Ti +mp-12107,TiPt3,-7.3712946475,-0.8440716533,0.0049437821,-0.142230928,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Ti,4.0,A3B_cP4_221_c_a:Pt-Ti +mp-2767,TiGa,-5.933429735,-0.4716357154,0.0,-0.0248944314,GGA,P4/mmm,AB_tP2_123_a_d:Ga-Ti,2.0,AB_tP2_123_a_d:Ga-Ti +mp-30675,Ti5Ga4,-6.1719171328,-0.4397122246,0.0114885764,0.0114885764,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Ga-Ti,18.0,A4B5_hP18_193_bg_dg:Ga-Ti +mp-30671,Ti2Ga,-6.6758103667,-0.4027836814,0.0,-0.0118840646,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ga-Ti,6.0,AB2_hP6_194_c_ad:Ga-Ti +mp-1008726,Ti2Ga,-5.84842715,0.4245995353,0.8273832167,0.8154991521,GGA,F-43m,AB2_cF12_216_a_bc:Ga-Ti,3.0,AB2_cF12_216_a_bc:Ga-Ti +mp-1188153,Ti5Ga3,-6.4958756769,-0.425657158,0.0,-0.0056604681,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ga-Ti,16.0,A3B5_tI32_140_ah_bk:Ga-Ti +mp-30674,Ti5Ga3,-6.4786841469,-0.408465628,0.01719153,0.0115310619,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Ti,16.0,A3B5_hP16_193_g_dg:Ga-Ti +mp-30852,TiPt8,-6.70931208,-0.4354722381,0.0,-0.0581320446,GGA,I4/mmm,A8B_tI18_139_hi_a:Pt-Ti,9.0,"Invalid WP multiplicities - A8B_tI18_139_2hi_a:Pt-Ti, expected TiPt12 to be TiPt8" +mp-22662,TiGaPt,-6.478535345,-0.8136282253,0.0,-0.0978970685,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ga-Pt-Ti,6.0,ABC_hP6_194_c_d_a:Ga-Pt-Ti +mp-2339,Ti3Pt,-8.0859607025,-0.64655836,0.0,-0.1864410129,GGA,Pm-3n,AB3_cP8_223_a_c:Pt-Ti,8.0,AB3_cP8_223_a_c:Pt-Ti +mp-30673,Ti2Ga3,-5.434448011,-0.4593935908,0.0,-0.0058958245,GGA,P4/m,A3B2_tP10_83_adj_k:Ga-Ti,10.0,A3B2_tP10_83_adj_k:Ga-Ti +mp-972069,Ti3Ga,-6.9885010225,-0.3098580044,0.01152653,-0.0077702433,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Ti,4.0,AB3_tI8_139_a_bd:Ga-Ti +mp-672250,Ti3Ga,-6.4688828725,0.2097601456,0.53114468,0.5118479067,GGA,P6/mmm,AB3_hP4_191_a_f:Ga-Ti,4.0,AB3_hP4_191_a_f:Ga-Ti +mp-30672,Ti3Ga,-7.0000275525,-0.3213845344,0.0,-0.0192967733,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Ti,8.0,AB3_hP8_194_c_h:Ga-Ti +mp-998988,Ti3Ga,-6.870768635,-0.1921256169,0.1292589175,0.1099621442,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Ti,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Ga-Ti, expected Ti5Ga to be Ti3Ga" +mp-998949,TiPt,-7.9035473625,-0.9202346942,0.0,-0.0770003317,GGA,Pmma,AB_oP4_51_e_f:Pt-Ti,4.0,AB_oP4_51_e_f:Pt-Ti +mp-11552,TiPt,-7.767860005,-0.7845473367,0.1356873575,0.0586870258,GGA,Pm-3m,AB_cP2_221_a_b:Pt-Ti,2.0,AB_cP2_221_a_b:Pt-Ti +mp-30851,Ti3Pt5,-7.696840195,-0.9415723637,0.0,-0.0569472989,GGA,Ibam,A5B3_oI32_72_afj_bj:Pt-Ti,16.0,A5B3_oI32_72_afj_bj:Pt-Ti +mp-1185527,LuPaRe2,-9.7400815925,-0.008914205,0.2322545281,0.2322545281,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pa-Re,4.0,ABC2_cF16_225_a_b_c:Lu-Pa-Re +mp-1103739,LuRe2,-10.1248932742,-0.3215583108,0.0,-0.3215583108,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Lu-Re,12.0,AB2_hP12_194_f_ah:Lu-Re +mp-1186413,PaRe3,-11.4115171425,0.3005444113,0.3005444113,0.3005444113,GGA,I4/mmm,AB3_tI8_139_a_bd:Pa-Re,4.0,AB3_tI8_139_a_bd:Pa-Re +mp-973911,Pa3Re,-10.0650383112,0.18209198,0.18209198,0.18209198,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pa-Re,8.0,A3B_hP8_194_h_c:Pa-Re +mp-1186399,Pa3Re,-10.06089108,0.1862392112,0.1862392112,0.1862392112,GGA,Fm-3m,A3B_cF16_225_ac_b:Pa-Re,4.0,A3B_cF16_225_ac_b:Pa-Re +mp-1025438,LuPt,-6.6335302125,-1.3374882925,0.0,-0.0799368545,GGA,Pnma,AB_oP8_62_c_c:Lu-Pt,8.0,AB_oP8_62_c_c:Lu-Pt +mp-1102319,Lu2Pt,-6.0545213275,-1.0168432075,0.0,-0.0452659098,GGA,Pnma,A2B_oP12_62_2c_c:Lu-Pt,12.0,A2B_oP12_62_2c_c:Lu-Pt +mp-1009016,LuAs,-5.5609228900000005,-0.9708884275,0.499152415,-0.9708884275,GGA,Pm-3m,AB_cP2_221_a_b:As-Lu,2.0,AB_cP2_221_a_b:As-Lu +mp-2017,LuAs,-6.060075305,-1.4700408425,0.0,-1.4700408425,GGA,Fm-3m,AB_cF8_225_a_b:As-Lu,2.0,AB_cF8_225_a_b:As-Lu +mp-1202267,Lu5Pt4,-6.4457498347,-1.2358291814,0.0,-0.0052225839,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Lu-Pt,36.0,A5B4_oP36_62_c2d_2cd:Lu-Pt +mp-1189834,Lu3Pt,-5.6648785319,-0.7563823119,0.0062500938,0.0062500938,GGA,Pnma,A3B_oP16_62_cd_c:Lu-Pt,16.0,A3B_oP16_62_cd_c:Lu-Pt +mp-790,LuPt3,-6.76702315,-1.08343553,0.0,-0.3335721654,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Pt,4.0,AB3_cP4_221_a_c:Lu-Pt +mp-1190342,Lu5Pt3,-6.1814438606,-1.0791747906,0.0197881571,0.0197881571,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Pt,16.0,A5B3_hP16_193_dg_g:Lu-Pt +mp-1102150,LuAsPt,-6.2382727292,-1.1545386475,0.0321577826,0.0321577826,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Lu-Pt,12.0,ABC_hP12_194_f_ab_f:As-Lu-Pt +mp-1104877,Lu3Pt4,-6.6922493164,-1.2854800536,0.0,-0.0205782646,GGA,R-3,A3B4_hR42_148_f_abf:Lu-Pt,14.0,A3B4_hR42_148_f_abf:Lu-Pt +mp-1187388,TbTmIr2,-7.559937395,-0.8631699242,0.0168371248,0.0168371248,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Tb-Tm,4.0,A2BC_cF16_225_c_a_b:Ir-Tb-Tm +mp-1187313,Tb3Tm,-4.5713985075,0.0233349233,0.0233349233,0.0233349233,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Tm,4.0,A3B_tI8_139_ad_b:Tb-Tm +mp-1187306,Tb3Tm,-4.5729568700000005,0.0217765608,0.0217765608,0.0217765608,GGA,Pm-3m,A3B_cP4_221_c_a:Tb-Tm,4.0,A3B_cP4_221_c_a:Tb-Tm +mp-1096152,HfBe2Pt,-2.9941865575,2.8826004625,3.5545575277,3.5545575277,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Hf-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Hf-Pt +mp-1188131,Er3Os,-6.5251249175,-0.2924939525,0.0,-0.1621524753,GGA,Pnma,A3B_oP16_62_cd_c:Er-Os,16.0,A3B_oP16_62_cd_c:Er-Os +mp-1102333,ErOs2,-9.3550618292,-0.3475772725,0.0,-0.2175799603,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Os,12.0,AB2_hP12_194_f_ah:Er-Os +mp-1184334,ErOs3,-9.2183528487,0.3441024263,0.6047853806,0.6047853806,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Os,8.0,AB3_hP8_194_c_h:Er-Os +mp-867344,Er2NiOs,-6.8918040475,-0.356068615,0.0478570041,0.0478570041,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ni-Os,4.0,A2BC_cF16_225_c_a_b:Er-Ni-Os +mp-1187300,Tb3Pm,-4.6447439375,0.0186662181,0.0186662181,0.0186662181,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Tb,4.0,AB3_tI8_139_a_bd:Pm-Tb +mp-1187308,Tb3Pm,-4.64155197,0.0218581856,0.0218581856,0.0218581856,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Tb,8.0,AB3_hP8_194_c_h:Pm-Tb +mp-1187369,TbPm3,-4.6948818013,0.0266164656,0.0266164656,0.0266164656,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Tb,8.0,A3B_hP8_194_h_c:Pm-Tb +mp-1186636,PmRh3,-7.06045511,-0.3495886269,0.017927055,-0.3495886269,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Rh,8.0,AB3_hP8_194_c_h:Pm-Rh +mp-862959,PmRh3,-7.078382165,-0.3675156819,0.0,-0.3675156819,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Rh,4.0,AB3_cP4_221_a_c:Pm-Rh +mp-980059,TbPmRh2,-6.78665991,-0.7582788694,0.0,-0.2056229669,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Tb +mp-7303,ErCd3,-2.0924604937,-0.2583634713,0.0,-0.0157632985,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Er,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2g_c:Cd-Er, expected ErCd5 to be ErCd3" +mp-867,ErCd,-3.062466665,-0.31716238,0.0,-0.0971332075,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Er,2.0,AB_cP2_221_a_b:Cd-Er +mp-1204723,Er11Cd45,-1.8487993164,-0.209960993,0.0,-0.0034270559,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Er,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Er +mp-1227922,ErCd6,-1.5982840273,-0.154704403,0.0,-0.002005499,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Er,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Er, expected ErCd8 to be ErCd6" +mp-1078684,ErCdGa,-3.3351611622,-0.4955929647,0.0,-0.0267425269,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Er-Ga,9.0,ABC_hP9_189_f_g_bc:Cd-Er-Ga +mp-1062169,ErCd2,-2.0185963267,0.11923645,0.41260868,0.3971995575,GGA,C2/m,A2B_mC6_12_i_a:Cd-Er,3.0,A2B_mC6_12_i_a:Cd-Er +mp-1063156,ErCd2,-2.00535863,0.1324741467,0.4258463767,0.4104372542,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Er,3.0,A2B_hP3_164_d_a:Cd-Er +mp-11296,ErCd2,-2.4312050067,-0.29337223,0.0,-0.0154091225,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Er,3.0,A2B_hP3_191_c_b:Cd-Er +mp-979026,SmTm3,-4.5249553188,0.0115677825,0.0115677825,0.0115677825,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sm-Tm,8.0,AB3_hP8_194_c_h:Sm-Tm +mp-978514,SmTm3,-4.5071422175,0.0293808838,0.0293808838,0.0293808838,GGA,Pm-3m,AB3_cP4_221_a_c:Sm-Tm,4.0,AB3_cP4_221_a_c:Sm-Tm +mp-978960,Sm3Tm,-4.6385716175,0.0193268396,0.0193268396,0.0193268396,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Tm,4.0,A3B_tI8_139_ad_b:Sm-Tm +mp-979973,Sm3Tm,-4.6380200775,0.0198783796,0.0198783796,0.0198783796,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sm-Tm,8.0,A3B_hP8_194_h_c:Sm-Tm +mp-979253,Sm3Tm,-4.6465978425,0.0113006146,0.0113006146,0.0113006146,GGA,Pm-3m,A3B_cP4_221_c_a:Sm-Tm,4.0,A3B_cP4_221_c_a:Sm-Tm +mp-972541,SmTmTl2,-3.8138220425,-0.3338950796,0.0,-0.0028159125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sm-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Sm-Tl-Tm +mp-542388,Lu7Te,-4.7046832919,-0.3559383502,0.0075823402,0.0075823402,GGA,Cmcm,A7B_oC32_63_c3f_c:Lu-Te,16.0,A7B_oC32_63_c3f_c:Lu-Te +mp-684997,Ni23Te42,-4.5651926062,-0.4888542806,0.0038538452,0.0038538452,GGA,P-1,A23B42_aP65_2_a11i_21i:Ni-Te,65.0,"Invalid WP multiplicities - A23B42_aP65_2_a21i_41i:Ni-Te, expected Ni43Te82 to be Ni23Te42" +mp-1025470,LuTe3,-4.2851659288,-0.7974488788,0.3479082725,0.1990716494,GGA,Cmcm,AB3_oC16_63_c_3c:Lu-Te,8.0,AB3_oC16_63_c_3c:Lu-Te +mp-1080689,LuTe3,-4.6330742013,-1.1453571512,0.0,-0.1488366231,GGA,Cmcm,AB3_oC16_63_c_3c:Lu-Te,8.0,AB3_oC16_63_c_3c:Lu-Te +mp-1220085,Ni3Te4,-4.7200901329,-0.4467139024,0.0007703668,0.0007703668,GGA,C2/m,A3B4_mC14_12_ai_2i:Ni-Te,7.0,"Invalid WP multiplicities - A3B4_mC14_12_ai_3i:Ni-Te, expected NiTe2 to be Ni3Te4" +mp-31103,Ni3Te2,-5.069139787,-0.3437354217,0.0,-0.022358125,GGA,P2_1/m,A3B2_mP10_11_3e_2e:Ni-Te,10.0,A3B2_mP10_11_3e_2e:Ni-Te +mp-2578,NiTe2,-4.5273720067,-0.5051225178000001,0.0,-0.0446076157,GGA,P-3m1,AB2_hP3_164_a_d:Ni-Te,3.0,AB2_hP3_164_a_d:Ni-Te +mp-1102324,NiTe2,-4.479055825,-0.4568063361,0.0483161817,0.0037085659,GGA,Pa-3,AB2_cP12_205_a_c:Ni-Te,12.0,AB2_cP12_205_a_c:Ni-Te +mp-10264,NiTe,-4.8634429075,-0.4017216208,0.0025339619,0.0025339619,GGA,R-3m,AB_hR12_166_c_c:Ni-Te,4.0,AB_hR12_166_c_c:Ni-Te +mp-203,NiTe,-4.8609152525,-0.3991939658,0.0050616169,0.0050616169,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-Te,4.0,AB_hP4_194_a_c:Ni-Te +mp-11584,Lu8Te,-4.6951719333,-0.3272930385,0.0,-0.0109033939,GGA,P-62m,A8B_hP9_189_cfg_b:Lu-Te,9.0,"Invalid WP multiplicities - A8B_hP9_189_c2fg_b:Lu-Te, expected Lu11Te to be Lu8Te" +mp-569141,Lu11Te4,-4.8866213593,-0.7330427398,0.0,-0.0003949053,GGA,C2/m,A11B4_mC90_12_a16i_6i:Lu-Te,45.0,"Invalid WP multiplicities - A11B4_mC90_12_a29i_11i:Lu-Te, expected Lu59Te22 to be Lu11Te4" +mp-11752,Lu7(NiTe)2,-5.2434085727,-0.7439959558,0.0,-0.0558786284,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Lu-Ni-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Lu-Ni-Te +mp-1189748,Lu2Te3,-5.288796589,-1.594432845,0.0,-0.27861459,GGA,Fddd,A2B3_oF80_70_2e_fh:Lu-Te,20.0,A2B3_oF80_70_2e_fh:Lu-Te +mp-1206986,Lu2Te3,-2.5032721,1.191091644,2.785524489,2.506909899,GGA,P4/mmm,A2B3_tP5_123_g_ag:Lu-Te,5.0,A2B3_tP5_123_g_ag:Lu-Te +mp-973750,LuTe2,-4.9017645083,-1.2992437394,0.0955999083,0.0955999083,GGA,P4/nmm,AB2_tP6_129_c_ac:Lu-Te,6.0,AB2_tP6_129_c_ac:Lu-Te +mp-1185504,LuTe,-5.172808235,-1.3406800283,0.0,-0.0046642149,GGA,P-6m2,AB_hP2_187_a_d:Lu-Te,2.0,AB_hP2_187_a_d:Lu-Te +mp-1254,LuTe,-5.13083234,-1.2987041333,0.041975895,0.0373116801,GGA,Fm-3m,AB_cF8_225_a_b:Lu-Te,2.0,AB_cF8_225_a_b:Lu-Te +mp-976953,Ni3Te,-5.1822757038,-0.0613467204,0.1534879181,0.1534879181,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Te,8.0,A3B_hP8_194_h_c:Ni-Te +mp-1213035,Er4Co,-4.776380112,0.299458495,0.4439674885,0.4439674885,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Er,10.0,AB4_cF40_227_a_e:Co-Er +mp-1225765,Er4Co3,-5.8591676686,-0.2026207221,0.0152278266,0.0152278266,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Er,21.0,A3B4_hP21_147_adg_2g:Co-Er +mp-1225178,Er(Co5Mo)2,-7.5283798285,-0.0405185223,0.0579099882,0.0579099882,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Co-Er-Mo,13.0,A10BC2_oI26_71_efhk_a_g:Co-Er-Mo +mp-1188770,Er3Co,-5.3835047981,-0.1806362419,0.0,-0.037234576,GGA,Pnma,AB3_oP16_62_c_cd:Co-Er,16.0,AB3_oP16_62_c_cd:Co-Er +mp-537,ErCo2,-6.50510747,-0.2436560033,0.0,-0.0365101082,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Er,6.0,A2B_cF24_227_c_b:Co-Er +mp-569509,Er2Co7,-6.72559284,-0.1818525972,0.005050067,0.005050067,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Er,18.0,A7B2_hR54_166_a3c3d2h_4c:Co-Er +mp-2740,ErCo5,-6.8090119133,-0.1241272825,0.0246264093,0.0246264093,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Er,6.0,A5B_hP6_191_cg_a:Co-Er +mp-2531,Er2Co17,-6.9474753611,-0.1065890382,0.0,-0.0198618169,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Er,38.0,A17B2_hP38_194_fgjk_bc:Co-Er +mp-30970,Er12Co7,-5.7150577332,-0.2113287708,0.0,-0.0127816493,GGA,P2_1/c,A7B12_mP38_14_a3e_6e:Co-Er,38.0,"Invalid WP multiplicities - A7B12_mP38_14_a3e_7e:Co-Er, expected Er2Co to be Er12Co7" +mp-411,ErCo3,-6.6791451992,-0.2059771504,0.0,-0.0086737017,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Er,12.0,"Invalid WP multiplicities - A3B_hR36_166_ac2h_bc:Co-Er, expected ErCo5 to be ErCo3" +mp-1183485,Ca3Mn,-3.4264466275,0.3682571055,0.3682571055,0.3682571055,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Mn,4.0,A3B_cF16_225_ac_b:Ca-Mn +mp-1227083,CaMn2Te3,-5.70896383,-0.7490391393,0.0730010778,0.0730010778,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Ca-Mn-Te,6.0,AB2C3_hP6_164_a_d_bd:Ca-Mn-Te +mp-569170,CaTe,-4.399385185,-1.8249322983,0.034405285,-1.8249322983,GGA,P6_3/mmc,AB_hP4_194_a_c:Ca-Te,4.0,AB_hP4_194_a_c:Ca-Te +mp-10684,CaTe,-4.121540475,-1.5470875883,0.312249995,-1.5470875883,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Te,2.0,AB_cP2_221_a_b:Ca-Te +mp-1519,CaTe,-4.43379047,-1.8593375833,0.0,-1.8593375833,GGA,Fm-3m,AB_cF8_225_a_b:Ca-Te,2.0,AB_cF8_225_a_b:Ca-Te +mp-1194089,CaMn28,-8.8449630228,0.0702793241,0.0702793241,0.0702793241,GGA,I-43m,AB28_cI58_217_a_c2g:Ca-Mn,29.0,AB28_cI58_217_a_c2g:Ca-Mn +mp-1183356,Ba3Na,-1.7053485725000002,0.0645139559,0.0750127185,0.0750127185,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Na,4.0,A3B_tI8_139_ad_b:Ba-Na +mp-1183304,Ba3Na,-1.72536866,0.0444938684,0.054992631,0.054992631,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Na,4.0,A3B_cP4_221_c_a:Ba-Na +mp-21446,BaPb3,-3.6368038325,-0.372574795,0.0,-0.0351473383,GGA,R-3m,AB3_hR36_166_ac_eh:Ba-Pb,12.0,"Invalid WP multiplicities - AB3_hR36_166_ac_e2h:Ba-Pb, expected BaPb5 to be BaPb3" +mp-1183391,BaPb3,-3.5926678,-0.3284387625,0.0441360325,0.0089886942,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-Pb,4.0,AB3_cP4_221_a_c:Ba-Pb +mp-1097489,BaNa2Pb,-1.05767063,1.0114975192,1.305608553,1.305608553,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Na-Pb,4.0,AB2C_oI8_71_a_e_b:Ba-Na-Pb +mp-1183312,BaNa2Pb,-2.3203124075,-0.2511442583,0.0429667755,0.0429667755,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Na-Pb,4.0,AB2C_cF16_225_a_c_b:Ba-Na-Pb +mp-622106,Ba5Pb3,-3.1295008363,-0.5378988475,0.0151178269,0.0151178269,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ba-Pb,16.0,A5B3_tI32_140_2c2l_2a2h:Ba-Pb +mp-11820,BaNa2,-1.5321303925,-0.0107885502,0.0032098,0.0032098,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ba-Na,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Ba-Na, expected Ba2Na7 to be BaNa2" +mp-21246,Ba2Pb,-3.0581471933,-0.5412815433,0.0,-0.0631492344,GGA,Pnma,A2B_oP12_62_2c_c:Ba-Pb,12.0,A2B_oP12_62_2c_c:Ba-Pb +mp-1247741,BaNa,-1.4557845837,0.164965533,0.1859630583,0.1730569456,GGA,Fd-3m,AB_cF96_227_ce_f:Ba-Na,24.0,AB_cF96_227_ce_f:Ba-Na +mp-1247744,BaNa,-1.6417476421,-0.0209975254,0.0,-0.0129061127,GGA,Fd-3m,AB_cF96_227_f_ce:Ba-Na,24.0,AB_cF96_227_f_ce:Ba-Na +mp-1095846,Ba2NaPb,-1.3136227175,0.9046578434,1.3106190009,1.3106190009,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Na-Pb,4.0,A2BC_oI8_71_e_a_b:Ba-Na-Pb +mp-630923,Ba3Pb5,-3.5461612062,-0.506141185,0.0,-0.0257427538,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ba-Pb,16.0,"Invalid WP multiplicities - A3B5_oC32_63_2c2e_2c3f2g:Ba-Pb, expected BaPb2 to be Ba3Pb5" +mp-20136,BaPb,-3.4040330725,-0.5882220675000001,0.0,-0.0662020512,GGA,Cmcm,AB_oC8_63_c_c:Ba-Pb,4.0,AB_oC8_63_c_c:Ba-Pb +mp-1210149,Sm23Cd4Rh7,-5.2894016322,-0.4726605959,0.0,-0.0254487747,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Rh-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Rh-Sm +mp-1206219,Sm2CdRh2,-5.652639291,-0.634903737,0.0,-0.0277411547,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Rh-Sm,10.0,AB2C2_tP10_127_a_g_h:Cd-Rh-Sm +mp-974368,Rh3Pb,-6.386647675,0.064744995,0.104397755,0.104397755,GGA,I4/mmm,AB3_tI8_139_a_bd:Pb-Rh,4.0,AB3_tI8_139_a_bd:Pb-Rh +mp-1185255,Li3Rh,-3.3328497337,-0.0600806162,0.0344238046,0.0344238046,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Rh,8.0,A3B_hP8_194_h_c:Li-Rh +mp-1185235,Li3Rh,-3.3313692575,-0.05860014,0.0359042808,0.0359042808,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Rh,4.0,A3B_cF16_225_ac_b:Li-Rh +mp-321,RhPb2,-5.0002334333,-0.0703660967,0.0,-0.01047731,GGA,I4/mcm,A2B_tI12_140_h_a:Pb-Rh,6.0,A2B_tI12_140_h_a:Pb-Rh +mp-1001787,LiRh3,-6.1365215025,-0.1360598833,0.0,-0.0415554625,GGA,Imm2,AB3_oI8_44_a_bc:Li-Rh,4.0,AB3_oI8_44_a_bc:Li-Rh +mp-1185455,LiRh3,-6.068198235,-0.0677366158,0.0683232675,0.026767805,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Rh,4.0,AB3_tI8_139_a_bd:Li-Rh +mp-442,RhPb,-5.61778299,-0.07930552,0.0,-0.007438976,GGA,P6/mmm,AB_hP6_191_ad_f:Pb-Rh,6.0,AB_hP6_191_ad_f:Pb-Rh +mp-569678,Rh4Pb5,-5.4154591411,-0.0798517156,0.0,-0.0035260033,GGA,Fmmm,A5B4_oF72_69_2gho_fgl:Pb-Rh,18.0,"Invalid WP multiplicities - A5B4_oF72_69_2g3h2o_2fhk:Pb-Rh, expected Rh5Pb9 to be Rh4Pb5" +mp-861663,LiRh2Pb,-5.3253047775,-0.2377583583,0.0,-0.0819323463,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Li-Pb-Rh +mp-600561,LiRh,-4.82562421,-0.1890088417,0.0,-0.0909385919,GGA,P-6m2,AB_hP2_187_a_d:Li-Rh,2.0,AB_hP2_187_a_d:Li-Rh +mp-1184714,HoAs3,-5.118585655,-0.4786446338,0.28059494,0.28059494,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Ho,8.0,A3B_hP8_194_h_c:As-Ho +mp-1103217,HoAsSe,-5.8250803292,-1.5792674116,0.0004496833,-0.0406953797,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ho-Se,12.0,ABC_oP12_62_c_c_c:As-Ho-Se +mp-1212091,HoAsSe,-5.8255300125,-1.5797170949,0.0,-0.0411450631,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ho-Se,12.0,ABC_oP12_62_c_c_c:As-Ho-Se +mp-2272172,HoAsSe,-5.8100337367,-1.5642208191,0.0154962758,-0.0256487872,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Ho-Se,6.0,ABC_tP6_129_a_c_c:As-Ho-Se +mp-1184710,Ho3As,-5.000609675,-0.3990234212,0.3602161525,0.3602161525,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Ho,4.0,AB3_tI8_139_a_bd:As-Ho +mp-1001917,HoAs,-5.657417395,-1.0366537575,0.48182539,-0.59781973,GGA,Pm-3m,AB_cP2_221_a_b:As-Ho,2.0,AB_cP2_221_a_b:As-Ho +mp-295,HoAs,-6.139242785,-1.5184791475,0.0,-1.07964512,GGA,Fm-3m,AB_cF8_225_a_b:As-Ho,2.0,AB_cF8_225_a_b:As-Ho +mp-30731,HoSnPd2,-5.6231568725,-0.8852207862,0.0,-0.0376532565,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Ho-Pd-Sn +mp-11764,HoSnPd,-5.504695465,-0.91407462,0.0,-0.0897077936,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Ho-Pd-Sn +mp-1079218,Ho3Sn7,-4.703465006,-0.5220420465,0.0,-0.003440736,GGA,Cmmm,A3B7_oC20_65_cg_ag2h:Ho-Sn,10.0,A3B7_oC20_65_cg_ag2h:Ho-Sn +mp-1182591,Ho3Sn7,-3.202945592,0.9784773675,1.500519414,1.497078678,GGA,Cmmm,A3B7_oC20_65_cg_ag2h:Ho-Sn,10.0,A3B7_oC20_65_cg_ag2h:Ho-Sn +mp-1080577,HoSn3,-4.4993691812,-0.3465880725,0.0884469663,0.0884469663,GGA,Amm2,AB3_oC16_38_ab_3a3b:Ho-Sn,8.0,AB3_oC16_38_ab_3a3b:Ho-Sn +mp-11477,HoSn3,-4.5604002175,-0.4076191087,0.02741593,0.02741593,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Sn,4.0,AB3_cP4_221_a_c:Ho-Sn +mp-1203269,Ho11Sn10,-5.0303504212,-0.7207210821000001,0.0,-0.053596659,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Ho-Sn,42.0,A11B10_tI84_139_eh2n_dehim:Ho-Sn +mp-1072865,HoSn2,-4.776741205,-0.5762236783,0.0,-0.0245911372,GGA,Cmcm,AB2_oC12_63_c_2c:Ho-Sn,6.0,AB2_oC12_63_c_2c:Ho-Sn +mp-30735,Ho5Sn3,-5.0830104331,-0.7154154437,0.0,-0.1478475916,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Sn,16.0,A5B3_hP16_193_dg_g:Ho-Sn +mp-1227305,BiTe,-3.5703247300000003,-0.0784272183,0.3562737325,0.3562737325,GGA,Cmmm,AB_oC4_65_a_c:Bi-Te,2.0,AB_oC4_65_a_c:Bi-Te +mp-23224,BiTe,-3.9248024967,-0.432904985,0.0017959658,0.0017959658,GGA,P-3m1,AB_hP12_164_c2d_c2d:Bi-Te,12.0,AB_hP12_164_c2d_c2d:Bi-Te +mp-1227339,BiTe,-3.81130421,-0.3194066983,0.1152942525,0.1152942525,GGA,R-3m,AB_hR6_166_a_b:Bi-Te,2.0,AB_hR6_166_a_b:Bi-Te +mp-567362,BiTe,-3.822339905,-0.3304423933,0.1042585575,0.1042585575,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Te,2.0,AB_cF8_225_a_b:Bi-Te +mp-1084847,TbTe3,-4.7732898025,-1.2572188575,0.0,-0.1701599567,GGA,Cmcm,AB3_oC16_63_c_3c:Tb-Te,8.0,AB3_oC16_63_c_3c:Tb-Te +mp-1208342,TbTe3,-3.59676769,-0.080696745,1.1765221125,1.0063621558,GGA,Cmmm,AB3_oC8_65_a_de:Tb-Te,4.0,AB3_oC8_65_a_de:Tb-Te +mp-1227413,Bi2Te,-3.7960023083,-0.1879075906,0.1088642228,0.1088642228,GGA,I-42d,A2B_tI12_122_d_a:Bi-Te,6.0,A2B_tI12_122_d_a:Bi-Te +mp-35216,BiTe3,-3.5980204475,-0.280418745,0.0377643913,0.0377643913,GGA,R3m,AB3_hR12_160_a_3a:Bi-Te,4.0,AB3_hR12_160_a_3a:Bi-Te +mp-867290,TbTe,-5.40890777,-1.5200717733,0.0,-0.1279964567,GGA,P-6m2,AB_hP2_187_a_d:Tb-Te,2.0,AB_hP2_187_a_d:Tb-Te +mp-1176,TbTe,-5.40671169,-1.5178756933000002,0.00219608,-0.1258003767,GGA,Fm-3m,AB_cF8_225_a_b:Tb-Te,2.0,AB_cF8_225_a_b:Tb-Te +mp-580062,Bi8Te9,-3.92067959,-0.4492874676,0.0072935029,0.0072935029,GGA,R-3m,A8B9_hR51_166_4c_a4c:Bi-Te,17.0,"Invalid WP multiplicities - A8B9_hR51_166_7c_a8c:Bi-Te, expected Bi14Te17 to be Bi8Te9" +mp-1214397,Bi8Te7,-3.9198103624,-0.4046734096,0.0052301856,0.0052301856,GGA,P-3m1,A8B7_hP45_164_4c8d_a3c7d:Bi-Te,45.0,A8B7_hP45_164_4c8d_a3c7d:Bi-Te +mp-1217576,TbBiTe3,-4.643690782,-1.0627362,0.027055499,0.027055499,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-Tb-Te,5.0,ABC3_hR15_160_a_a_3a:Bi-Tb-Te +mp-1105684,Tb2Te3,-5.410220356,-1.67049038,0.0,-0.1308180194,GGA,Fddd,A2B3_oF80_70_2e_fh:Tb-Te,20.0,A2B3_oF80_70_2e_fh:Tb-Te +mp-1206225,Tb2Te3,-2.553972502,1.185757474,2.8562478540000003,2.7254298346,GGA,P4/mmm,A2B3_tP5_123_g_ag:Tb-Te,5.0,A2B3_tP5_123_g_ag:Tb-Te +mp-28229,Bi4Te3,-3.9232600743,-0.38156376,0.0,-0.0099249145,GGA,R-3m,A4B3_hR21_166_2c_ac:Bi-Te,7.0,A4B3_hR21_166_2c_ac:Bi-Te +mp-1187309,Tb3Te,-4.79591636,-0.5343153117,0.225720575,0.225720575,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Te,4.0,A3B_tI8_139_ad_b:Tb-Te +mp-1182783,Bi2Te3,-3.297000664,0.125178524,0.634271542,0.5204280004,GGA,C2/m,A2B3_mC10_12_i_ai:Bi-Te,5.0,A2B3_mC10_12_i_ai:Bi-Te +mp-34202,Bi2Te3,-3.931272206,-0.5090930180000001,0.0,-0.1138435416,GGA,R-3m,A2B3_hR15_166_c_ac:Bi-Te,5.0,"Invalid WP multiplicities - A2B3_hR15_166_c_a2c:Bi-Te, expected Bi2Te5 to be Bi2Te3" +mp-568390,Bi2Te3,-3.681669956,-0.259490768,0.24960225,0.1357587084,GGA,R-3m,A2B3_hR15_166_c_ac:Bi-Te,5.0,"Invalid WP multiplicities - A2B3_hR15_166_c_a2c:Bi-Te, expected Bi2Te5 to be Bi2Te3" +mp-1217469,TbTe2,-3.9888807733,-0.3485548111,1.1382593367,1.1382593367,GGA,P4/mmm,AB2_tP3_123_a_g:Tb-Te,3.0,AB2_tP3_123_a_g:Tb-Te +mp-1019324,TbTe2,-5.08973783,-1.4494118678,0.03740228,0.03740228,GGA,P4/nmm,AB2_tP6_129_c_ac:Tb-Te,6.0,AB2_tP6_129_c_ac:Tb-Te +mp-685007,Tb5Te9,-4.9575777484,-1.2817503527,0.2706624495,0.2706624495,GGA,P2,A5B9_mP56_3_2a2d8e_2a2b2c2d14e:Tb-Te,56.0,"Invalid WP multiplicities - A5B9_mP56_3_2a2b16e_2a2b2c2d28e:Tb-Te, expected Tb9Te16 to be Tb5Te9" +mp-1217665,Tb5Te9,-5.223900008,-1.5480726123,0.0043401898,0.0043401898,GGA,P-4,A5B9_tP56_81_2g4h_ef2g7h:Tb-Te,56.0,"Invalid WP multiplicities - A5B9_tP56_81_4g8h_2e2f4g13h:Tb-Te, expected Tb10Te17 to be Tb5Te9" +mp-1183665,Cd3Se,-1.73557849,-0.1694333006,0.2583730625,0.2583730625,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Se,4.0,A3B_tI8_139_ad_b:Cd-Se +mp-1232349,Cd3Se4,-2.9791015932,-0.5859137088,0.1805759264,0.1805759264,GGA,Cm,A3B4_mC56_8_6b_4a6b:Cd-Se,28.0,"Invalid WP multiplicities - A3B4_mC56_8_12b_4a12b:Cd-Se, expected Cd6Se7 to be Cd3Se4" +mp-1237095,Cd3Se4,-2.8601589389,-0.4669710546,0.2995185807,0.2995185807,GGA,Cm,A3B4_mC56_8_6b_4a6b:Cd-Se,,"Invalid WP multiplicities - A3B4_mC56_8_12b_4a12b:Cd-Se, expected Cd6Se7 to be Cd3Se4" +mp-1103966,Cd(Mo3Se4)2,-7.0028546467,-0.7385824972,0.066903252,0.066903252,GGA,R-3,AB6C8_hR45_148_a_f_cf:Cd-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Cd-Mo-Se +mp-1095493,CdSe2,-3.2858964192,-0.6476588474,0.0,-0.0772503633,GGA,Pa-3,AB2_cP12_205_a_c:Cd-Se,12.0,AB2_cP12_205_a_c:Cd-Se +mp-1198018,Cd2Mo15Se19,-7.1194933483,-0.7041364248,0.0905667089,0.0905667089,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:Cd-Mo-Se,72.0,A2B15C19_hR216_167_c_e2f_2ce2f:Cd-Mo-Se +mp-1070,CdSe,-3.063861955,-0.8544613362,0.00115139,-0.3417868409,GGA,P6_3mc,AB_hP4_186_b_b:Cd-Se,4.0,AB_hP4_186_b_b:Cd-Se +mp-2691,CdSe,-3.065013345,-0.8556127262000001,0.0,-0.3429382309,GGA,F-43m,AB_cF8_216_a_c:Cd-Se,2.0,AB_cF8_216_a_c:Cd-Se +mp-1055,CdSe,-2.91974202,-0.7103414012,0.145271325,-0.1976669059,GGA,Fm-3m,AB_cF8_225_a_b:Cd-Se,2.0,AB_cF8_225_a_b:Cd-Se +mp-1080756,ErAu3,-4.3202449825,-0.72290378,0.0,-0.01708905,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Er,8.0,A3B_oP8_59_ae_b:Au-Er +mp-862599,LiErAu2,-3.9821505675,-0.7260491483,0.0,-0.0001353071,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Er-Li,4.0,A2BC_cF16_225_c_a_b:Au-Er-Li +mp-2466,ErAu2,-4.58542874,-0.8802678033,0.0,-0.0984410258,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Er,3.0,A2B_tI6_139_e_a:Au-Er +mp-1102972,Er2Au,-4.7876887692,-0.6512488958,0.0,-0.0514670475,GGA,Pnma,AB2_oP12_62_c_2c:Au-Er,12.0,AB2_oP12_62_c_2c:Au-Er +mp-1185330,LiEr2Au,-4.0029220675,-0.4233614458,0.065075226,0.065075226,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Er-Li,4.0,AB2C_cF16_225_a_c_b:Au-Er-Li +mp-975909,LiAu3,-3.286864325,-0.3542221083,0.0097462775,-0.083108575,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Li,4.0,A3B_tI8_139_ad_b:Au-Li +mp-1185333,LiAu3,-3.2827494887,-0.3501072721,0.0138611137,-0.0789937387,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Li,8.0,A3B_hP8_194_h_c:Au-Li +mp-11248,LiAu3,-3.2966106025,-0.3639683858,0.0,-0.0928548525,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Li,4.0,A3B_cP4_221_c_a:Au-Li +mp-1222403,LiAu,-2.9965819700000003,-0.4051795367,0.13704753,-0.0194436275,GGA,R-3m,AB_hR6_166_a_b:Au-Li,2.0,AB_hR6_166_a_b:Au-Li +mp-1206794,LiAu,-3.1336295,-0.5422270667,0.0,-0.1564911575,GGA,Pm-3m,AB_cP2_221_a_b:Au-Li,2.0,AB_cP2_221_a_b:Au-Li +mp-977195,Li3Er,-2.3611225538,0.2124992987,0.2124992987,0.2124992987,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Li,8.0,AB3_hP8_194_c_h:Er-Li +mp-1070583,ErAu4,-4.133792248,-0.601142886,0.0,-0.022819862,GGA,I4/m,A4B_tI10_87_h_a:Au-Er,5.0,A4B_tI10_87_h_a:Au-Er +mp-1185345,LiEr3,-3.71832868,0.1846911442,0.1846911442,0.1846911442,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Li,8.0,A3B_hP8_194_h_c:Er-Li +mp-1185200,Li3Au,-2.65349381,-0.40333116,0.0041722725,-0.024897757,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Li,4.0,AB3_tI8_139_a_bd:Au-Li +mp-11247,Li3Au,-2.6576660825,-0.4075034325,0.0,-0.0290700295,GGA,Fm-3m,AB3_cF16_225_a_bc:Au-Li,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Au-Li, expected Li5Au to be Li3Au" +mp-567395,Li15Au4,-2.5488539297,-0.3525712455,0.0,-0.0094104603,GGA,I-43d,A4B15_cI76_220_c_ae:Au-Li,38.0,"Invalid WP multiplicities - A4B15_cI76_220_c_5a5e:Au-Li, expected Li75Au4 to be Li15Au4" +mp-11243,ErAu,-4.8204731775,-0.8996727725,0.0,-0.1339144229,GGA,Cmcm,AB_oC8_63_c_c:Au-Er,4.0,AB_oC8_63_c_c:Au-Er +mp-2442,ErAu,-4.806268835,-0.88546843,0.0142043425,-0.1197100804,GGA,Pm-3m,AB_cP2_221_a_b:Au-Er,2.0,AB_cP2_221_a_b:Au-Er +mp-1185266,LiNi3,-4.7906292925,0.0217039342,0.0217039342,0.0217039342,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Ni,4.0,AB3_tI8_139_a_bd:Li-Ni +mp-1185381,LiIn2Ni,-3.51424149,-0.2161347383,0.002805463,0.002805463,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Ni,4.0,A2BC_cF16_225_c_a_b:In-Li-Ni +mp-1185204,Li3Ni,-2.783442995,0.093283325,0.093283325,0.093283325,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Ni,4.0,A3B_tI8_139_ad_b:Li-Ni +mp-1185214,Li3Ni,-2.7829140425,0.0938122775,0.0938122775,0.0938122775,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Ni,8.0,A3B_hP8_194_h_c:Li-Ni +mp-1183644,Cd3Ge,-1.7208104975,0.1271137863,0.1271137863,0.1271137863,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Ge,4.0,A3B_tI8_139_ad_b:Cd-Ge +mp-1183649,CdGe3,-3.4099938225,0.2879995088,0.2879995088,0.2879995088,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Ge,4.0,AB3_tI8_139_a_bd:Cd-Ge +mp-1183666,CdGe3,-3.406567595,0.2914257363,0.2914257363,0.2914257363,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Ge,8.0,AB3_hP8_194_c_h:Cd-Ge +mp-1078690,YbCdGe,-2.9119416956,-0.5500997306000001,0.0,-0.0674014406,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Ge-Yb,,ABC_hP9_189_f_bc_g:Cd-Ge-Yb +mp-864732,Yb2CdGe,-2.72089734,-0.5646137963,0.0,-0.0135931342,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ge-Yb,,ABC2_cF16_225_a_b_c:Cd-Ge-Yb +mp-1078978,Yb2CdGe2,-3.220866157,-0.5712337510000001,0.0115415477,0.0115415477,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ge-Yb,,AB2C2_tP10_127_a_g_h:Cd-Ge-Yb +mp-1097462,Mg2CuAu,-1.6094743375,1.033937855,1.4272824728,1.4272824728,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cu-Mg,4.0,ABC2_oI8_71_a_b_e:Au-Cu-Mg +mp-1097319,MgCuAu2,-2.01326319,1.04854949,1.4042521723,1.4042521723,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Mg,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Mg +mp-982015,LaDyMg2,-3.2688687125,-0.0830302013,0.0119538925,0.0119538925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-La-Mg,4.0,ABC2_cF16_225_a_b_c:Dy-La-Mg +mp-2359,NdPt5,-6.5474259933,-0.6934569879,0.0,-0.1278939933,GGA,P6/mmm,AB5_hP6_191_a_cg:Nd-Pt,6.0,AB5_hP6_191_a_cg:Nd-Pt +mp-1209997,Nd4Pt,-5.054040276,-0.025295666,0.4669473215,0.4669473215,GGA,Fd-3m,A4B_cF40_227_e_a:Nd-Pt,10.0,A4B_cF40_227_e_a:Nd-Pt +mp-16315,GePt3,-6.0194020762,-0.3102951225,0.0,-0.0432047116,GGA,I4/mcm,AB3_tI16_140_b_ah:Ge-Pt,8.0,AB3_tI16_140_b_ah:Ge-Pt +mp-1103985,Nd3Pt2,-6.2222770753,-0.9329352878,0.0069270509,0.0069270509,GGA,R-3,A3B2_hR45_148_acf_f:Nd-Pt,15.0,A3B2_hR45_148_acf_f:Nd-Pt +mp-1206212,Nd2Ge6Pt,-5.37131728,-0.5551400228,0.0662047328,0.0662047328,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Pt,,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Pt +mp-542640,GePt,-5.815619455,-0.4685388675,0.0,-0.0486776193,GGA,Pnma,AB_oP8_62_c_c:Ge-Pt,8.0,AB_oP8_62_c_c:Ge-Pt +mp-975665,Nd(Ge3Pt)4,-5.3553011729,-0.3830061746,0.0123379989,0.0123379989,GGA,Im-3,A12BC4_cI34_204_g_a_c:Ge-Nd-Pt,17.0,A12BC4_cI34_204_g_a_c:Ge-Nd-Pt +mp-1106223,NdGe2Pt,-5.9202708056,-0.89893669,0.0,-0.0294771833,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Nd-Pt,16.0,A2BC_oI32_71_efm_ei_m:Ge-Nd-Pt +mp-1080485,NdPt,-6.5610005725,-1.1413601962,0.0,-0.1196771528,GGA,Pnma,AB_oP8_62_c_c:Nd-Pt,8.0,AB_oP8_62_c_c:Nd-Pt +mp-570934,NdPt,-6.554730975,-1.1350905987,0.0062695975,-0.1134075553,GGA,Cmcm,AB_oC8_63_c_c:Nd-Pt,4.0,AB_oC8_63_c_c:Nd-Pt +mp-1079773,Nd(GePt)2,-6.145593316,-0.9142993595,0.0,-0.0691431467,GGA,Pmn2_1,A2BC2_oP10_31_2a_a_2a:Ge-Nd-Pt,10.0,A2BC2_oP10_31_2a_a_2a:Ge-Nd-Pt +mp-21070,Nd(GePt)2,-6.06839405,-0.8371000935,0.077199266,0.0080561193,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Nd-Pt,5.0,A2BC2_tI10_139_e_a_d:Ge-Nd-Pt +mp-1220495,Nd2Ge3Pt,-5.783231525,-0.8704795667,0.0116029387,0.0116029387,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Pt,6.0,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Pt +mp-20061,GePt2,-5.9321871711,-0.3437556728,0.0315669692,0.0315669692,GGA,P-62m,AB2_hP9_189_ad_fg:Ge-Pt,9.0,AB2_hP9_189_ad_fg:Ge-Pt +mp-569120,NdPt3,-6.59373134,-0.8483444919,0.017379455,0.017379455,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Pt,4.0,AB3_cP4_221_a_c:Nd-Pt +mp-1543,Ge2Pt,-5.445852045,-0.3401223683,0.0035258308,0.0035258308,GGA,Pnnm,A2B_oP6_58_g_a:Ge-Pt,6.0,A2B_oP6_58_g_a:Ge-Pt +mp-1103688,Nd3Pt4,-6.5977850943,-1.0850742975,0.0119847743,0.0119847743,GGA,R-3,A3B4_hR42_148_f_abf:Nd-Pt,14.0,A3B4_hR42_148_f_abf:Nd-Pt +mp-2720,NdPt2,-6.6747955967,-1.0379909058,0.0,-0.0791725047,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-Pt,6.0,AB2_cF24_227_a_d:Nd-Pt +mp-1184728,Ge3Pt,-4.9169571863,0.068097035,0.3258331844,0.3258331844,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Pt,8.0,A3B_hP8_194_h_c:Ge-Pt +mp-1105567,Nd7Pt3,-5.89740768,-0.7383644813,0.0,-0.0386630154,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Nd-Pt,20.0,A7B3_hP20_186_b2c_c:Nd-Pt +mp-542587,Ge3Pt2,-5.61464788,-0.412377839,0.0,-0.020888871,GGA,Pnma,A3B2_oP20_62_3c_2c:Ge-Pt,20.0,"Invalid WP multiplicities - A3B2_oP20_62_7c_6c:Ge-Pt, expected Ge7Pt6 to be Ge3Pt2" +mp-21673,Ge2Pt3,-5.9192357915,-0.4273446575,0.0,-0.022103288,GGA,Pnma,A2B3_oP40_62_2cd_2c2d:Ge-Pt,40.0,A2B3_oP40_62_2cd_2c2d:Ge-Pt +mp-20576,Ge2Pt3,-5.915285616,-0.423394482,0.0039501755,-0.0181531125,GGA,Cmcm,A2B3_oC20_63_ac_cf:Ge-Pt,10.0,"Invalid WP multiplicities - A2B3_oC20_63_2a2c_2c3f:Ge-Pt, expected GePt2 to be Ge2Pt3" +mp-1220139,NdGePt,-6.16243158,-1.0083287108,0.0,-0.0285841854,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Nd-Pt,6.0,ABC_mC12_12_i_i_i:Ge-Nd-Pt +mp-1210622,Nd3(Ge3Pt2)2,-6.0186260596,-0.916538159,0.0,-0.01169275,GGA,Pnma,A6B3C4_oP52_62_6c_3c_4c:Ge-Nd-Pt,52.0,A6B3C4_oP52_62_6c_3c_4c:Ge-Nd-Pt +mp-21405,InSe,-3.8333967325,-0.7095991287000001,0.03667178,-0.0181612189,GGA,C2/m,AB_mC8_12_i_i:In-Se,4.0,AB_mC8_12_i_i:In-Se +mp-22691,InSe,-3.8700685125,-0.7462709087,0.0,-0.0548329989,GGA,R3m,AB_hR12_160_2a_2a:In-Se,4.0,AB_hR12_160_2a_2a:In-Se +mp-1079260,InSe,-3.8697331625,-0.7459355587000001,0.00033535,-0.0544976489,GGA,P-6m2,AB_hP8_187_gh_gi:In-Se,8.0,AB_hP8_187_gh_gi:In-Se +mp-20485,InSe,-3.8663797588,-0.7425821549,0.0036887537,-0.0511442451,GGA,P6_3/mmc,AB_hP8_194_f_f:In-Se,8.0,AB_hP8_194_f_f:In-Se +mp-627397,In2Se,-3.4022791254,-0.4025194795,0.0949944596,0.0949944596,GGA,Pnnm,A2B_oP24_58_4g_2g:In-Se,24.0,"Invalid WP multiplicities - A2B_oP24_58_10g_4g:In-Se, expected In5Se2 to be In2Se" +mp-19932,In4Se3,-3.6832191493,-0.6125806703000001,0.0270801086,0.0270801086,GGA,Pnnm,A4B3_oP28_58_4g_3g:In-Se,28.0,A4B3_oP28_58_4g_3g:In-Se +mp-1184883,In3Se,-3.1587982525,-0.2210575856,0.1520778687,0.1520778687,GGA,Pm-3m,A3B_cP4_221_c_a:In-Se,4.0,A3B_cP4_221_c_a:In-Se +mp-1225539,In23Se28,-3.88417355,-0.7238941938,0.0496155072,0.0496155072,GGA,Cm,A23B28_mC102_8_11a6b_14a7b:In-Se,51.0,A23B28_mC102_8_11a6b_14a7b:In-Se +mp-1104359,In2CoSe4,-4.3633152879,-0.5639822642,0.1558081214,0.1558081214,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Co-In-Se,14.0,AB2C4_cF56_227_a_d_e:Co-In-Se +mp-1232036,InSe2,-3.742771905,-0.4949363432,0.1732620277,0.1732620277,GGA,P4/nmm,AB2_tP6_129_c_ac:In-Se,6.0,AB2_tP6_129_c_ac:In-Se +mp-19907,In2Se3,-3.68262512,-0.4844047414,0.3174333037,0.1576579349,GGA,R3m,A2B3_hR15_160_2a_3a:In-Se,5.0,A2B3_hR15_160_2a_3a:In-Se +mp-1017565,In2Se3,-3.948847044,-0.7506266654,0.0512113797,-0.1085639891,GGA,P-3m1,A2B3_hP5_164_d_ad:In-Se,5.0,A2B3_hP5_164_d_ad:In-Se +mp-20830,In2Se3,-3.469667766,-0.2714473874,0.5303906577,0.3706152889,GGA,R-3m,A2B3_hR15_166_c_ac:In-Se,5.0,A2B3_hR15_166_c_ac:In-Se +mp-612740,In2Se3,-4.0000584237,-0.8018380451,0.0,-0.1597753688,GGA,P6_1,A2B3_hP30_169_2a_3a:In-Se,30.0,"Invalid WP multiplicities - A2B3_hP30_169_4a_15a:In-Se, expected In4Se15 to be In2Se3" +mp-672673,In2Se3,-3.5927112647,-0.3944908861,0.407347159,0.2475717902,GGA,P6_5,A2B3_hP30_170_2a_3a:In-Se,30.0,"Invalid WP multiplicities - A2B3_hP30_170_6a_12a:In-Se, expected InSe2 to be In2Se3" +mp-567596,In6Se7,-3.8777041042,-0.7252823563,0.0423605279,0.0423605279,GGA,P2_1,A6B7_mP26_4_6a_7a:In-Se,26.0,"Invalid WP multiplicities - A6B7_mP26_11_10e_13e:In-Se, expected In10Se13 to be In6Se7" +mp-1192955,In6Se7,-3.8770189654,-0.7245972174,0.0430456668,0.0430456668,GGA,P2_1/m,A6B7_mP26_11_6e_7e:In-Se,26.0,A6B7_mP26_11_6e_7e:In-Se +mp-505764,Nb9Co4Ge,-9.0325649311,-0.1777046171,0.0207079002,0.0207079002,GGA,I4/mcm,A4BC9_tI56_140_eh_a_b2k:Co-Ge-Nb,28.0,"Invalid WP multiplicities - A4BC9_tI56_140_2e2h_a_2b10k:Co-Ge-Nb, expected Nb42Co8Ge to be Nb9Co4Ge" +mp-1104334,Nb7Co6,-8.8927532431,-0.1728269315,0.0,-0.0318226714,GGA,R-3m,A6B7_hR39_166_h_a3c:Co-Nb,13.0,A6B7_hR39_166_h_a3c:Co-Nb +mp-1220660,NbCo3,-7.9397049262,-0.08314032,0.07618887,0.0280298313,GGA,P-3m1,A3B_hP24_164_c2defi_c2d:Co-Nb,24.0,A3B_hP24_164_c2defi_c2d:Co-Nb +mp-570557,NbCo3,-7.9498515054,-0.0932868992,0.0660422908,0.0178832521,GGA,P6_3mc,A3B_hP24_186_3b2c_2ab:Co-Nb,24.0,"Invalid WP multiplicities - A3B_hP24_186_6b11c_4a2b:Co-Nb, expected Nb2Co13 to be NbCo3" +mp-977426,NbCo3,-8.0158937962,-0.15932919,0.0,-0.0481590387,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Nb,8.0,A3B_hP8_194_h_c:Co-Nb +mp-1018021,NbCo3,-8.00236052,-0.1457959137,0.0135332762,-0.0346257625,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Nb,4.0,A3B_cP4_221_c_a:Co-Nb +mp-1220661,NbCo,-8.7575660327,-0.1527546152,0.0182726175,0.0182726175,GGA,R-3m,AB_hR78_166_a2h_b6c:Co-Nb,,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Co-Nb, expected Nb19Co67 to be NbCo" +mp-1009264,NbCo,-8.642405925,-0.0375945075,0.1334327252,0.1334327252,GGA,Pm-3m,AB_cP2_221_a_b:Co-Nb,2.0,AB_cP2_221_a_b:Co-Nb +mp-1220720,Nb2Co3Ge,-8.0020356133,-0.3102703933,0.0,-0.0276307948,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ge-Nb,12.0,A3BC2_hP12_194_h_a_f:Co-Ge-Nb +mp-580140,Nb6Co16Ge7,-7.4278372045,-0.3001782409,0.0,-0.046088219,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Nb,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Ge-Nb, expected Nb6Co80Ge13 to be Nb6Co16Ge7" +mp-622633,Nb6Co7,-7.8603269815,0.6293695419,0.7985970757,0.7985970757,GGA,R-3m,A7B6_hR39_166_ah_3c:Co-Nb,13.0,"Invalid WP multiplicities - A7B6_hR39_166_a2h_6c:Co-Nb, expected Nb12Co13 to be Nb6Co7" +mp-7250,Nb6Co7,-8.6533011538,-0.1636046304,0.0056229034,0.0056229034,GGA,R-3m,A7B6_hR39_166_ah_3c:Co-Nb,13.0,A7B6_hR39_166_ah_3c:Co-Nb +mp-1182324,Nb6Co7,-7.9628368915,0.5268596319000001,0.6960871657000001,0.6960871657000001,GGA,R-3m,A7B6_hR39_166_ah_3c:Co-Nb,13.0,"Invalid WP multiplicities - A7B6_hR39_166_a2h_6c:Co-Nb, expected Nb12Co13 to be Nb6Co7" +mp-1101983,NbCo2,-8.2490349533,-0.1430547433,0.0201737942,0.0201737942,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Co-Nb,12.0,A2B_hP12_194_ah_f:Co-Nb +mp-1191009,NbCo2,-8.2542070783,-0.1482268683,0.0150016692,0.0150016692,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Co-Nb,24.0,A2B_hP24_194_fgh_ef:Co-Nb +mp-670,NbCo2,-8.2503263,-0.14434609,0.0188824476,0.0188824476,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Nb,6.0,A2B_cF24_227_c_b:Co-Nb +mp-973266,Lu3Al,-4.5254838888,-0.1983770412,0.0058863328,0.0058863328,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Lu,8.0,AB3_hP8_194_c_h:Al-Lu +mp-1185427,Lu3Al,-4.5212855175,-0.19417867,0.0100847041,0.0100847041,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Lu,4.0,AB3_cP4_221_a_c:Al-Lu +mp-1234,LuAl2,-4.48633578,-0.48230172,0.0,-0.0812550452,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Lu,6.0,A2B_cF24_227_c_b:Al-Lu +mp-16508,Lu3Al2,-4.5376220425,-0.3268213985,0.0,-0.006594431,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Lu,20.0,A2B3_tP20_136_j_dfg:Al-Lu +mp-1210553,Lu4Al,-3.831921411,0.5339541710000001,0.6973648703,0.6973648703,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Lu,10.0,AB4_cF40_227_a_e:Al-Lu +mp-973539,LuAl3,-4.320477865,-0.3810583625,0.020369795,-0.0193320725,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Lu,8.0,A3B_hP8_194_h_c:Al-Lu +mp-2805,LuAl3,-4.34084766,-0.4014281575,0.0,-0.0397018675,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Lu,4.0,A3B_cP4_221_c_a:Al-Lu +mp-1210912,Lu2(Al3Rh)3,-5.4404964336,-0.8087102107,0.0,-0.095726488,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Lu-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Lu-Rh +mp-16507,LuAl,-4.5335468844,-0.4002837094,0.0,-0.0151571903,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Lu,16.0,AB_oP16_57_cd_2d:Al-Lu +mp-1208499,Tb6Nb4Al43,-4.6617549204,-0.3358836477,0.0,-0.0091445877,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Tb,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Tb +mp-862446,TaAlRu2,-9.2858105925,-0.7477709575,0.0,-0.25126956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Ru-Ta +mp-1191769,Lu3AlNi8,-5.7942475483,-0.4984541458,0.0205511852,0.0205511852,GGA,P6_3/mmc,AB3C8_hP24_194_a_cf_bdk:Al-Lu-Ni,24.0,AB3C8_hP24_194_a_cf_bdk:Al-Lu-Ni +mp-1192322,Lu3AlNi8,-5.8106712771,-0.5148778746,0.0041274565,0.0041274565,GGA,P6_3/mmc,AB3C8_hP24_194_c_df_abk:Al-Lu-Ni,24.0,AB3C8_hP24_194_c_df_abk:Al-Lu-Ni +mp-1189515,LuAl3Ni2,-5.2085299489,-0.6555380539,0.0,-0.0002471214,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Lu-Ni,18.0,A3BC2_hP18_191_fk_ad_l:Al-Lu-Ni +mp-1222497,LuAl8Ni3,-4.6178415958,-0.2990109958,0.2226020761,0.2226020761,GGA,Amm2,A8BC3_oC24_38_ab3c_a_a2b:Al-Lu-Ni,12.0,"Invalid WP multiplicities - A8BC3_oC24_38_ab5c_a_a2b:Al-Lu-Ni, expected Lu(Al4Ni)3 to be LuAl8Ni3" +mp-1025389,LuAl2Ni,-5.1015761163,-0.6535164013,0.0,-0.0461445049,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Lu-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Lu-Ni +mp-1079819,LuAlNi,-5.3183307678,-0.6361097578,0.0,-0.0107063206,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Lu-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Lu-Ni +mp-1070507,Lu2AlNi2,-5.472463112,-0.602913066,0.0,-0.0121701998,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Lu-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Lu-Ni +mp-16509,LuAl4Ni,-4.7364825433,-0.5225841233,0.0,-0.0126897617,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Lu-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Lu-Ni +mp-1224761,Fe3Pt,-7.8610247025,0.009274535,0.12527248,0.12527248,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-Pt,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-Pt, expected Fe5Pt to be Fe3Pt" +mp-11798,Fe3Pt,-7.9435974625,-0.073298225,0.04269972,0.04269972,GGA,P4/mmm,A3B_tP4_123_ae_c:Fe-Pt,4.0,A3B_tP4_123_ae_c:Fe-Pt +mp-1224766,Fe3Pt,-7.8339278325,0.036371405,0.15236935,0.15236935,GGA,R-3m,A3B_hR12_166_ac_b:Fe-Pt,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Fe-Pt, expected Fe5Pt to be Fe3Pt" +mp-1649,Fe3Pt,-7.943218065,-0.0729188275,0.0430791175,0.0430791175,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Pt,4.0,A3B_cP4_221_c_a:Fe-Pt +mp-1191778,Al9Fe2,-4.8391721995,-0.2346063005,0.0178821468,0.0178821468,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Al-Fe,22.0,A9B2_mP22_14_a4e_e:Al-Fe +mp-985578,AlFe,-5.64677744,0.46102108,0.787908095,0.7348805655,GGA,P6/mmm,AB_hP2_191_a_b:Al-Fe,2.0,AB_hP2_191_a_b:Al-Fe +mp-2658,AlFe,-6.434685535,-0.326887015,0.0,-0.0530275295,GGA,Pm-3m,AB_cP2_221_a_b:Al-Fe,2.0,AB_cP2_221_a_b:Al-Fe +mp-1228919,AlFe3,-7.374916425,-0.08600656,0.112886615,0.0774369475,GGA,Cmmm,AB3_oC8_65_b_ck:Al-Fe,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Al-Fe, expected AlFe5 to be AlFe3" +mp-1183162,AlFe3,-7.48780304,-0.198893175,0.0,-0.0354496675,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Fe,4.0,AB3_cP4_221_a_c:Al-Fe +mp-2018,AlFe3,-7.485971815,-0.19706195,0.001831225,-0.0336184425,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Fe,4.0,AB3_cF16_225_a_bc:Al-Fe +mp-570001,Al6Fe,-4.6163406707,-0.1958440721,0.0025397079,0.0025397079,GGA,Cmcm,A6B_oC28_63_efg_c:Al-Fe,14.0,"Invalid WP multiplicities - A6B_oC28_63_4e4f2g_c:Al-Fe, expected Al20Fe to be Al6Fe" +mp-1202900,Al13Fe4,-5.1839597924,-0.3267497553,0.0,-0.0695872916,GGA,C2/m,A13B4_mC102_12_ah8i5j_4ij:Al-Fe,51.0,A13B4_mC102_12_ah8i5j_4ij:Al-Fe +mp-1224692,Fe2Pt,-7.56309167,0.1073002433,0.26196417,0.26196417,GGA,P-3m1,A2B_hP3_164_d_a:Fe-Pt,3.0,A2B_hP3_164_d_a:Fe-Pt +mp-984873,Al3Fe,-5.0807489325,-0.1540617575,0.1726956233,0.1726956233,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Fe,8.0,A3B_hP8_194_h_c:Al-Fe +mp-1193259,Al8Fe5,-5.84310178,-0.2804315731,0.0463956108,0.0463956108,GGA,I-43m,A8B5_cI52_217_cg_ce:Al-Fe,26.0,A8B5_cI52_217_cg_ce:Al-Fe +mp-1228952,AlFe4,-7.58793963,-0.062807496,0.096307044,0.096307044,GGA,Fmmm,AB4_oF20_69_a_2g:Al-Fe,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Al-Fe, expected AlFe6 to be AlFe4" +mp-2260,FePt,-7.502573155,-0.23199589,0.0,-0.1085039413,GGA,P4/mmm,AB_tP2_123_a_d:Fe-Pt,2.0,AB_tP2_123_a_d:Fe-Pt +mp-985579,AlFe2,-7.03654364,-0.1413375567,0.1002202317,0.1002202317,GGA,P6/mmm,AB2_hP3_191_a_d:Al-Fe,3.0,AB2_hP3_191_a_d:Al-Fe +mp-31184,AlFe2,-7.000050925,-0.1048448417,0.1367129467,0.1367129467,GGA,Fd-3m,AB2_cF24_227_a_d:Al-Fe,6.0,AB2_cF24_227_a_d:Al-Fe +mp-1095825,Al2FePt,-3.6434295025,1.864647045,2.5767088669,2.5767088669,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Fe-Pt,4.0,A2BC_oI8_71_e_a_b:Al-Fe-Pt +mp-649,FePt3,-6.844540965,-0.1736856725,0.0,-0.0576877275,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Pt,4.0,AB3_cP4_221_a_c:Fe-Pt +mp-1214901,Al12Fe7,-5.7994764084,-0.3133154384,0.0135033481,0.0135033481,GGA,P-1,A12B7_aP19_2_6i_a3i:Al-Fe,19.0,A12B7_aP19_2_6i_a3i:Al-Fe +mp-14793,Mg2SiPt,-4.2892438513,-0.6149909887,0.0,-0.0784052957,GGA,P6_3/mmc,A2BC_hP8_194_f_c_b:Mg-Pt-Si,8.0,A2BC_hP8_194_f_c_b:Mg-Pt-Si +mp-30324,Mg5(Si8Pt5)2,-5.616167939,-0.5994640058,0.0,-0.0881267286,GGA,F-43m,A5B10C16_cF124_216_ae_ef_eh:Mg-Pt-Si,31.0,"Invalid WP multiplicities - A5B10C16_cF124_216_ae_2ef_e2h:Mg-Pt-Si, expected Mg5(Si2Pt)14 to be Mg5(Si8Pt5)2" +mp-2488,SiOs,-8.65471994,-0.32837721,0.0478655367,0.0478655367,GGA,P2_13,AB_cP8_198_a_a:Os-Si,8.0,AB_cP8_198_a_a:Os-Si +mp-10015,SiOs,-8.62767533,-0.3013326,0.0749101467,0.0749101467,GGA,Pm-3m,AB_cP2_221_a_b:Os-Si,2.0,AB_cP2_221_a_b:Os-Si +mp-1072645,Si2Os,-7.730705755,-0.3713712583,0.0309304725,0.0048714883,GGA,C2/m,AB2_mC12_12_i_2i:Os-Si,6.0,AB2_mC12_12_i_2i:Os-Si +mp-17123,Si2Os,-7.7616362275,-0.4023017308,0.0,-0.0260589842,GGA,Cmce,AB2_oC48_64_df_2g:Os-Si,24.0,AB2_oC48_64_df_2g:Os-Si +mp-9033,Np(SiOs)2,-9.702870012,-0.4522398917,0.0,-0.1512456944,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Np-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Np-Os-Si +mp-16608,Si3Os2,-8.197629086,-0.451491296,0.0,-0.0787593735,GGA,Pbcn,A2B3_oP40_60_2cd_3d:Os-Si,40.0,A2B3_oP40_60_2cd_3d:Os-Si +mp-16609,Si3Os2,-8.1671435555,-0.4210057655,0.0304855305,-0.048273843,GGA,P-4c2,A2B3_tP20_116_adi_ej:Os-Si,20.0,A2B3_tP20_116_adi_ej:Os-Si +mp-978508,Si3Os,-6.5510571025,0.3247732775,0.6264995756,0.6264995756,GGA,I4/mmm,AB3_tI8_139_a_bd:Os-Si,4.0,AB3_tI8_139_a_bd:Os-Si +mp-1252369,Si3Os,-6.5570781625,0.3187522175,0.6204785156,0.6204785156,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Si,4.0,AB3_cF16_225_a_bc:Os-Si +mp-11535,NpOs2,-11.6060520167,0.1947861638,0.1947861637,0.1947861637,GGA,Fd-3m,AB2_cF24_227_a_d:Np-Os,6.0,AB2_cF24_227_a_d:Np-Os +mp-1187998,Yb3Pa,-2.97011411,0.563258265,0.563258265,0.563258265,GGA,Pm-3m,AB3_cP4_221_a_c:Pa-Yb,,AB3_cP4_221_a_c:Pa-Yb +mp-567089,YbRh,-5.05859801,-0.606639935,0.0,-0.1642734163,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Yb,,AB_cP2_221_a_b:Rh-Yb +mp-1187600,YbPa3,-7.1945456975,0.3263548675,0.3263548675,0.3263548675,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Yb,,A3B_cP4_221_c_a:Pa-Yb +mp-865836,YbPaRh2,-7.13173666,-0.68601449,0.0,-0.0881365425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Rh-Yb,,AB2C_cF16_225_a_c_b:Pa-Rh-Yb +mp-1207616,Yb4Rh,-2.788283563,-0.083735365,0.158920609,0.158920609,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Yb,,AB4_cF40_227_a_e:Rh-Yb +mp-2235,YbRh2,-6.012563365,-0.589822025,0.0,-0.1853954017,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Yb,,A2B_cF24_227_c_b:Rh-Yb +mp-1188599,Gd3Sb4Au3,-7.777596349,-0.920994581,0.0,-0.1447874467,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Gd-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Gd-Sb +mp-1184461,Gd3Au,-11.6567843325,-0.2812221525,0.1331796075,0.1331796075,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Gd,4.0,AB3_cP4_221_a_c:Au-Gd +mp-1063174,GdAu2,-7.69734101,-0.8227122633,0.0,-0.2701765833,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Gd,3.0,A2B_tI6_139_e_a:Au-Gd +mp-635426,GdAu,-9.50380564,-0.82880352,0.0,-0.2117693225,GGA,Pm-3m,AB_cP2_221_a_b:Au-Gd,2.0,AB_cP2_221_a_b:Au-Gd +mp-1217420,Th3(OsRu2)2,-9.3929302678,-0.30471696,0.0549850039,0.0549850039,GGA,P-1,A2B4C3_aP18_2_cei_bd3i_3i:Os-Ru-Th,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cei_bd4i_5i:Os-Ru-Th, expected Th5Os2Ru5 to be Th3(OsRu2)2" +mp-569819,Th7Os3,-8.8933512415,-0.3354402375,0.0,-0.2203522335,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Os-Th,20.0,"Invalid WP multiplicities - A3B7_hP20_186_c_2b7c:Os-Th, expected Th23Os3 to be Th7Os3" +mp-1208262,Th4Ru,-7.546372014,0.239595094,0.5143056097,0.5143056097,GGA,Fd-3m,AB4_cF40_227_a_e:Ru-Th,10.0,AB4_cF40_227_a_e:Ru-Th +mp-574438,ThRu2,-8.9731618667,-0.3189407567,0.038663295,0.038663295,GGA,Fd-3m,A2B_cF24_227_c_b:Ru-Th,6.0,A2B_cF24_227_c_b:Ru-Th +mp-974326,OsRu3,-9.7621121775,0.000531585,0.0052518875,0.0052518875,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Ru,8.0,AB3_hP8_194_c_h:Os-Ru +mp-1208312,Th4Os,-7.797735675,0.378824411,0.6024512360000001,0.6024512360000001,GGA,Fd-3m,AB4_cF40_227_a_e:Os-Th,10.0,AB4_cF40_227_a_e:Os-Th +mp-573601,Th7Ru3,-8.3840873105,-0.4120657735,0.0,-0.090222127,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ru-Th,20.0,"Invalid WP multiplicities - A3B7_hP20_186_c_2b7c:Ru-Th, expected Th23Ru3 to be Th7Ru3" +mp-1220023,OsRu,-10.26032559,-0.009440605,0.0,-0.009440605,GGA,P-6m2,AB_hP2_187_a_d:Os-Ru,2.0,AB_hP2_187_a_d:Os-Ru +mp-1828,ThOs2,-10.2119488233,-0.25575112,0.0,-0.0960176736,GGA,Fd-3m,A2B_cF24_227_c_b:Os-Th,6.0,A2B_cF24_227_c_b:Os-Th +mp-12775,ThRu,-8.8805364725,-0.5364060775,0.0,-0.1751357677,GGA,Cmcm,AB_oC8_63_c_c:Ru-Th,4.0,AB_oC8_63_c_c:Ru-Th +mp-1078957,Ta3Be2,-8.789195628,-0.178763904,0.0,-0.0059529054,GGA,P4/mbm,A2B3_tP10_127_g_ah:Be-Ta,10.0,A2B3_tP10_127_g_ah:Be-Ta +mp-1102049,TaBe3,-6.0075407425,-0.2385366863,0.0,-0.0520279534,GGA,R-3m,A3B_hR36_166_ach_bc:Be-Ta,12.0,A3B_hR36_166_ach_bc:Be-Ta +mp-1189402,Ta2Be17,-4.7763489053,-0.1823713282,0.0,-0.026813234,GGA,R-3m,A17B2_hR57_166_cdfh_c:Be-Ta,19.0,A17B2_hR57_166_cdfh_c:Be-Ta +mp-975794,Li3Be,-2.124866375,0.2416789913,0.2416789913,0.2416789913,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Li,4.0,AB3_tI8_139_a_bd:Be-Li +mp-977119,Li3Be,-2.1213573412,0.245188025,0.245188025,0.245188025,GGA,P6_3/mmc,AB3_hP8_194_c_h:Be-Li,8.0,AB3_hP8_194_c_h:Be-Li +mp-11278,Ta2Be,-9.3119478617,-0.16029182,0.0,-0.0113219,GGA,I4/mcm,AB2_tI12_140_a_h:Be-Ta,6.0,AB2_tI12_140_a_h:Be-Ta +mp-1208417,Ta4Be,-9.14895615,1.085148527,1.181323619,1.181323619,GGA,Fd-3m,AB4_cF40_227_a_e:Be-Ta,10.0,AB4_cF40_227_a_e:Be-Ta +mp-631449,LiTaBe,-4.5182822067,1.3170889139,1.4476501417,1.4476501417,GGA,F-43m,ABC_cF12_216_a_b_c:Be-Li-Ta,3.0,ABC_cF12_216_a_b_c:Be-Li-Ta +mp-2676,TaBe2,-6.6344253283,-0.188890875,0.0354141964,0.0354141964,GGA,Fd-3m,A2B_cF24_227_c_b:Be-Ta,6.0,A2B_cF24_227_c_b:Be-Ta +mp-567842,TaBe12,-4.503213,-0.1393105377,0.0,-0.0060391825,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Ta,13.0,"Invalid WP multiplicities - A12B_tI26_139_4f4i3j_a:Be-Ta, expected TaBe44 to be TaBe12" +mp-1001825,LiBe,-2.657209665,0.1669582008,0.1669582008,0.1669582008,GGA,P2_1/m,AB_mP4_11_e_e:Be-Li,4.0,AB_mP4_11_e_e:Be-Li +mp-2475638,LiBe,-2.661992715,0.1621751508,0.1621751508,0.1621751508,GGA,P2_1/m,AB_mP4_11_e_e:Be-Li,4.0,AB_mP4_11_e_e:Be-Li +mp-1058798,LiBe,-2.458184435,0.3659834308,0.3659834308,0.3659834308,GGA,Pm-3m,AB_cP2_221_a_b:Be-Li,2.0,AB_cP2_221_a_b:Be-Li +mp-1183510,Ca3Os,-3.8951281325,0.415913635,0.415913635,0.415913635,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Os,4.0,A3B_cF16_225_ac_b:Ca-Os +mp-17564,Ca5Sb3,-3.8598186356,-1.0579432456,0.0,-0.0857830319,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ca-Sb,32.0,A5B3_oP32_62_3cd_cd:Ca-Sb +mp-12467,Ca5Sb3,-3.8595038388,-1.0576284488,0.0003147969,-0.0854682351,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ca-Sb,16.0,A5B3_hP16_193_dg_g:Ca-Sb +mp-12241,Ca11Sb10,-4.0538738512,-1.0371304664,0.0,-0.1504732701,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Ca-Sb,42.0,A11B10_tI84_139_eh2n_dehim:Ca-Sb +mp-1183599,CaOs3,-8.0682586963,0.8536668462,0.8536668462,0.8536668462,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Os,8.0,AB3_hP8_194_c_h:Ca-Os +mp-1013546,Ca3Sb2,-3.527323602,-0.672363178,0.3804380869,0.3804380869,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ca-Sb,5.0,A3B2_cP5_221_c_ab:Ca-Sb +mp-1214123,Ca(Sb3Os)4,-5.7894881300000005,-0.1151890429,0.0126748774,0.0126748774,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ca-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:Ca-Os-Sb +mp-2695,Sb2Os,-6.5112658283,-0.016142525,0.0,-0.016142525,GGA,Pnnm,AB2_oP6_58_a_g:Os-Sb,6.0,AB2_oP6_58_a_g:Os-Sb +mp-9925,Ca2Sb,-3.65880809,-0.9454077567,0.0,-0.0050137606,GGA,I4/mmm,A2B_tI12_139_ce_e:Ca-Sb,6.0,A2B_tI12_139_ce_e:Ca-Sb +mp-1227357,Be3Cu,-3.9342290142,-0.1048676979,0.0004129521,0.0004129521,GGA,R3m,A3B_hR36_160_3a2b_3a:Be-Cu,12.0,"Invalid WP multiplicities - A3B_hR36_160_3a6b_3a:Be-Cu, expected Be7Cu to be Be3Cu" +mp-1183404,Be3Cu,-3.8715719875,-0.0422106712,0.0630699788,0.0630699788,GGA,Fm-3m,A3B_cF16_225_ac_b:Be-Cu,4.0,A3B_cF16_225_ac_b:Be-Cu +mp-1077154,SmCu2,-4.5373120233,-0.2316455317,0.0,-0.0402475627,GGA,Imma,A2B_oI12_74_h_e:Cu-Sm,6.0,A2B_oI12_74_h_e:Cu-Sm +mp-1208596,SmBe13,-3.9834897739,-0.1741359611,0.0,-0.1741359611,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Sm,28.0,A13B_cF112_226_bi_a:Be-Sm +mp-227,SmCu5,-4.377161415,-0.1747248342,0.0,-0.0195162802,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Sm,6.0,A5B_hP6_191_cg_a:Cu-Sm +mp-2031,Be2Cu,-3.9997183333,-0.1403742,0.0,-0.0370476322,GGA,Fd-3m,A2B_cF24_227_c_b:Be-Cu,6.0,A2B_cF24_227_c_b:Be-Cu +mp-2323,BeCu,-4.019554075,-0.1002443075,0.0050363425,0.0050363425,GGA,Pm-3m,AB_cP2_221_a_b:Be-Cu,2.0,AB_cP2_221_a_b:Be-Cu +mp-30699,SmCu6,-4.3319784364,-0.1442889857,0.0054751579,0.0054751579,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Sm,28.0,A6B_oP28_62_4cd_c:Cu-Sm +mp-980769,SmCu,-4.6169675062,-0.2080711038,0.0,-0.034336955,GGA,Pnma,AB_oP8_62_c_c:Cu-Sm,8.0,AB_oP8_62_c_c:Cu-Sm +mp-12586,SmCu,-4.58832111,-0.1794247075,0.0286463963,-0.0056905588,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Sm,2.0,AB_cP2_221_a_b:Cu-Sm +mp-1219080,SmBeCu4,-4.2770323917,-0.134561445,0.0458957143,0.0458957143,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Sm,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Sm +mp-973434,Hf2IrRu,-10.36517163,-0.8583679350000001,0.030085635,0.030085635,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Ru +mp-977434,Nb3Ru,-10.087854335,-0.19327492,0.0,-0.104121005,GGA,Fm-3m,A3B_cF16_225_ac_b:Nb-Ru,4.0,A3B_cF16_225_ac_b:Nb-Ru +mp-1205565,Tm3Ru2,-6.721827023,-0.326564753,0.073771369,0.073771369,GGA,P6_3/m,A2B3_hP10_176_bc_h:Ru-Tm,10.0,A2B3_hP10_176_bc_h:Ru-Tm +mp-1104150,Tm5Ru2,-6.2558080014,-0.4089534019,0.0,-0.036010908,GGA,C2/c,A2B5_mC28_15_f_e2f:Ru-Tm,14.0,A2B5_mC28_15_f_e2f:Ru-Tm +mp-1220372,NbRu3,-9.4363995125,0.0447286525,0.1775358125,0.1338825675,GGA,P-6m2,AB3_hP4_187_a_bh:Nb-Ru,4.0,AB3_hP4_187_a_bh:Nb-Ru +mp-1186229,NbRu3,-9.60217928,-0.121051115,0.011756045,-0.0318972,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Ru,8.0,AB3_hP8_194_c_h:Nb-Ru +mp-11517,NbRu3,-9.613935325,-0.13280716,0.0,-0.043653245,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Ru,4.0,AB3_cP4_221_a_c:Nb-Ru +mp-1220677,Nb2Ru,-9.8885729967,-0.0629021233,0.1253837667,0.1253837667,GGA,Fmmm,A2B_oF12_69_g_a:Nb-Ru,3.0,A2B_oF12_69_g_a:Nb-Ru +mp-1101770,TmRu2,-8.0551093033,-0.3802291356,0.0,-0.1893842147,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Tm,12.0,A2B_hP12_194_ah_f:Ru-Tm +mp-865248,TmNbRu2,-8.6682273325,-0.3867409467,0.0,-0.0667354052,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Tm +mp-1187652,TmRu3,-7.9752228525,0.0995379083,0.38470976,0.38470976,GGA,I4/mmm,A3B_tI8_139_ad_b:Ru-Tm,4.0,A3B_tI8_139_ad_b:Ru-Tm +mp-1187581,TmRu3,-7.9828129725,0.0919477883,0.37711964,0.37711964,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Tm,4.0,A3B_cP4_221_c_a:Ru-Tm +mp-1207837,Tm3Ru,-6.0477365737,-0.3722593712,0.0,-0.0144251446,GGA,Pnma,AB3_oP16_62_c_cd:Ru-Tm,16.0,AB3_oP16_62_c_cd:Ru-Tm +mp-1220325,NbRu,-9.74777149,-0.0599177,0.11839013,0.10312334,GGA,Cmmm,AB_oC4_65_a_c:Nb-Ru,2.0,AB_oC4_65_a_c:Nb-Ru +mp-432,NbRu,-9.86616162,-0.17830783,0.0,-0.01526679,GGA,P4/mmm,AB_tP2_123_a_d:Nb-Ru,2.0,AB_tP2_123_a_d:Nb-Ru +mp-11516,NbRu,-9.84172649,-0.1538727,0.02443513,0.00916834,GGA,Pm-3m,AB_cP2_221_a_b:Nb-Ru,2.0,AB_cP2_221_a_b:Nb-Ru +mp-2004,Cu10Sb3,-4.0843750092,0.0217073308,0.0499202642,0.0499202642,GGA,P6_3/m,A10B3_hP26_176_c3h_h:Cu-Sb,26.0,A10B3_hP26_176_c3h_h:Cu-Sb +mp-7925,HoSb2,-4.60525457,-0.3251174533,0.5360725894,0.5360725894,GGA,C222,AB2_oC6_21_a_k:Ho-Sb,3.0,AB2_oC6_21_a_k:Ho-Sb +mp-1189310,Ho3Cu3Sb4,-5.0396480855,-0.7835629275,0.0,-0.0280614865,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Ho-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Ho-Sb +mp-1206948,Ho2CuSb3,-1.9073310883,2.3678402667,3.2263666633,3.2263666633,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Ho-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Ho-Sb +mp-2124,Ho4Sb3,-5.43664867,-1.0485573557,0.0232462711,0.0232462711,GGA,I-43d,A4B3_cI28_220_c_a:Ho-Sb,14.0,A4B3_cI28_220_c_a:Ho-Sb +mp-11140,Ho2Sb5,-5.0223826136,-0.7638363364,0.0,-0.0770203279,GGA,P2_1/m,A2B5_mP28_11_4e_10e:Ho-Sb,28.0,A2B5_mP28_11_4e_10e:Ho-Sb +mp-20900,Cu3Sb,-4.0742172375,0.032438075,0.0630020863,0.0630020863,GGA,Pmmn,A3B_oP8_59_ae_b:Cu-Sb,8.0,A3B_oP8_59_ae_b:Cu-Sb +mp-1225736,Cu3Sb,-3.815399665,0.2912556475,0.3218196587,0.3218196587,GGA,P-6m2,A3B_hP4_187_ah_b:Cu-Sb,4.0,A3B_hP4_187_ah_b:Cu-Sb +mp-1183969,Cu3Sb,-4.07068063,0.0359746825,0.0665386938,0.0665386938,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Sb,4.0,A3B_cP4_221_c_a:Cu-Sb +mp-2002,Cu3Sb,-3.974173135,0.1324821775,0.1630461888,0.1630461888,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-Sb,4.0,A3B_cF16_225_ac_b:Cu-Sb +mp-976679,HoSb3,-4.7668454675,-0.52449232,0.1438644744,0.1438644744,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Sb,8.0,AB3_hP8_194_c_h:Ho-Sb +mp-1224673,Ho7Cu5Sb,-4.4053519169,-0.0436675569,0.3613857722,0.3613857722,GGA,P4mm,A5B7C_tP13_99_a2c_4a3b_b:Cu-Ho-Sb,13.0,"Invalid WP multiplicities - A5B7C_tP13_99_a4c_4a3b_b:Cu-Ho-Sb, expected Ho7Cu9Sb to be Ho7Cu5Sb" +mp-1009017,HoSb,-5.212663345,-0.85695829,0.344969725,0.1204188109,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Sb,2.0,AB_cP2_221_a_b:Ho-Sb +mp-2050,HoSb,-5.55763307,-1.201928015,0.0,-0.2245509141,GGA,Fm-3m,AB_cF8_225_a_b:Ho-Sb,2.0,AB_cF8_225_a_b:Ho-Sb +mp-30596,Cu11Sb3,-4.0905969493,0.0149942714,0.0411919954,0.0411919954,GGA,Amm2,A11B3_oC28_38_a2d3e_bd:Cu-Sb,14.0,A11B3_oC28_38_a2d3e_bd:Cu-Sb +mp-1825,Cu2Sb,-4.1498902083,-0.040752015,0.0,-0.040752015,GGA,P4/nmm,A2B_tP6_129_ac_c:Cu-Sb,6.0,A2B_tP6_129_ac_c:Cu-Sb +mp-21015,HoCuSb2,-4.9217300925,-0.6868255875,0.0,-0.0215886038,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Ho-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Ho-Sb +mp-2681,Ho5Sb3,-5.3865913444,-0.9742103356,0.0,-0.0567226494,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Sb,16.0,A5B3_hP16_193_dg_g:Ho-Sb +mp-982018,Ho3Sb,-4.97610716,-0.5070501975,0.1424233596,0.1424233596,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Sb,4.0,A3B_tI8_139_ad_b:Ho-Sb +mp-983459,HfZr,-9.25069594,0.00174889,0.00174889,0.00174889,GGA,P-6m2,AB_hP2_187_a_d:Hf-Zr,2.0,AB_hP2_187_a_d:Hf-Zr +mp-1096645,HfZrOs2,-6.4462120775,3.7936940525,4.413467085,4.413467085,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Os-Zr,4.0,AB2C_oI8_71_a_e_b:Hf-Os-Zr +mp-1184607,HfZrOs2,-10.8534023325,-0.6134962025,0.00627683,0.00627683,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Os-Zr,4.0,AB2C_cF16_225_a_c_b:Hf-Os-Zr +mp-1184723,HfZr3,-8.89655035,0.00352238,0.00352238,0.00352238,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Zr,8.0,AB3_hP8_194_c_h:Hf-Zr +mp-645449,Te3Au2,-3.4945598107,-0.2990234747,0.035093312,0.035093312,GGA,P1,A2B3_aP60_1_24a_36a:Au-Te,60.0,A2B3_aP60_1_24a_36a:Au-Te +mp-571547,Te2Au,-3.5483521317,-0.3615208694,0.0097200046,-0.0611337057,GGA,Pc,AB2_mP12_7_2a_4a:Au-Te,12.0,"Invalid WP multiplicities - AB2_mP12_7_3a_5a:Au-Te, expected Te5Au3 to be Te2Au" +mp-567525,Te2Au,-3.54029509,-0.3534638278,0.0177770462,-0.0530766641,GGA,C2/m,AB2_mC6_12_a_i:Au-Te,3.0,AB2_mC6_12_a_i:Au-Te +mp-1662,Te2Au,-3.53987298,-0.3530417178,0.0181991562,-0.0526545541,GGA,P-3m1,AB2_hP3_164_a_d:Au-Te,3.0,AB2_hP3_164_a_d:Au-Te +mp-20123,Te2Au,-3.5580721362,-0.371240874,0.0,-0.0708537103,GGA,Pma2,AB2_oP24_28_acd_2c3d:Au-Te,24.0,AB2_oP24_28_acd_2c3d:Au-Te +mp-1183224,AgAu3,-3.2024852875,-0.0389347867,0.000143425,-0.0180718875,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Au,4.0,AB3_tI8_139_a_bd:Ag-Au +mp-985287,AgAu3,-3.1952488812,-0.0316983804,0.0073798312,-0.0108354813,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Au,8.0,AB3_hP8_194_c_h:Ag-Au +mp-863750,AgAu3,-3.2026287125,-0.0390782117,0.0,-0.0182153125,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Au,4.0,AB3_cP4_221_a_c:Ag-Au +mp-1229092,AgAu,-3.0949448,-0.0417257983,0.0,-0.0019126238,GGA,R-3m,AB_hR6_166_a_b:Ag-Au,2.0,AB_hR6_166_a_b:Ag-Au +mp-1183227,AgAu,-3.088098195,-0.0348791933,0.006846605,0.0049339812,GGA,P-6m2,AB_hP2_187_a_d:Ag-Au,2.0,AB_hP2_187_a_d:Ag-Au +mp-1229219,Ag3Te32Au13,-3.5204127087,-0.3611643213,0.0042251677,0.0042251677,GGA,C2,A3B13C32_mC96_5_ac_a6c_16c:Ag-Au-Te,48.0,"Invalid WP multiplicities - A3B13C32_mC96_5_ac_a10c_32c:Ag-Au-Te, expected Ag3Te64Au21 to be Ag3Te32Au13" +mp-1183214,Ag3Au,-2.98343564,-0.0405481375,0.0,-0.0196852383,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Au,4.0,A3B_tI8_139_ad_b:Ag-Au +mp-1183205,Ag3Au,-2.9750212162,-0.0321337137,0.0084144238,-0.0112708146,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Au,8.0,A3B_hP8_194_h_c:Ag-Au +mp-1183137,Ag3Au,-2.981966825,-0.0390793225,0.001468815,-0.0182164233,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Au,4.0,A3B_cP4_221_c_a:Ag-Au +mp-3291,AgTe4Au,-3.46891411,-0.3556371806,0.0,-0.0194395746,GGA,P2/c,ABC4_mP12_13_e_b_2g:Ag-Au-Te,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_b_3g:Ag-Au-Te, expected AgTe6Au to be AgTe4Au" +mp-31495,AgTe2Au,-3.1750778212,-0.0768153737,0.2133007981,0.2133007981,GGA,Pmma,ABC2_oP8_51_a_d_ef:Ag-Au-Te,8.0,ABC2_oP8_51_a_d_ef:Ag-Au-Te +mp-1217358,Te3Au,-3.478041695,-0.302091775,0.0,-0.0236611195,GGA,P4/mmm,AB3_tP4_123_a_bg:Au-Te,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2g:Au-Te, expected Te5Au to be Te3Au" +mp-5710,Ag3Te2Au,-3.2186851025,-0.2089914697,0.0,-0.004542815,GGA,I4_132,A3BC2_cI48_214_f_a_e:Ag-Au-Te,24.0,A3BC2_cI48_214_f_a_e:Ag-Au-Te +mp-1229158,Ag(Te5Au2)2,-3.4929409147,-0.3355313856,0.0294680111,0.0294680111,GGA,C2/m,AB4C10_mC30_12_a_2i_5i:Ag-Au-Te,15.0,"Invalid WP multiplicities - AB4C10_mC30_12_a_3i_10i:Ag-Au-Te, expected Ag(Te10Au3)2 to be Ag(Te5Au2)2" +mp-980060,TbAg3,-3.5100189525000003,-0.227010425,0.0419039966,0.0419039966,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Tb,4.0,A3B_tI8_139_ad_b:Ag-Tb +mp-981748,TbAg3,-3.5006547337,-0.2176462062,0.0512682154,0.0512682154,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Tb,8.0,A3B_hP8_194_h_c:Ag-Tb +mp-1206191,Tb3(AgSn)4,-4.2503282573,-0.4983637361,7.7792e-05,7.7792e-05,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Sn-Tb,,A4B4C3_oI22_71_n_eg_bf:Ag-Sn-Tb +mp-1217874,Tb14Ag51,-3.4676042902,-0.2469661122,0.0,-0.0390642096,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Tb,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Tb, expected Tb14Ag71 to be Tb14Ag51" +mp-611,Ag3Sn,-3.14600378,-0.0191938138,0.0,-0.0191938138,GGA,Pmmn,A3B_oP8_59_ae_b:Ag-Sn,8.0,A3B_oP8_59_ae_b:Ag-Sn +mp-1229107,Ag3Sn,-3.045337355,0.0814726112,0.100666425,0.0814726112,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Sn,4.0,A3B_hP4_187_ah_b:Ag-Sn +mp-1217615,TbAgSn2,-4.32390765,-0.4523911967,0.0090002715,0.0090002715,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ag-Sn-Tb,4.0,AB2C_tP4_123_a_e_c:Ag-Sn-Tb +mp-1183248,AgSn3,-3.6102247125,0.1050931796,0.1114911175,0.1114911175,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Sn,8.0,AB3_hP8_194_c_h:Ag-Sn +mp-1198576,Tb5Sn4,-5.1014889719,-0.7448092031,0.0,-0.0062973831,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Sn-Tb,36.0,A4B5_oP36_62_2cd_c2d:Sn-Tb +mp-1201140,Tb11Sn10,-5.0828778798,-0.7460328488,0.0,-0.0212382433,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Sn-Tb,42.0,A10B11_tI84_139_dehim_eh2n:Sn-Tb +mp-1072922,TbSn2,-4.8225436233,-0.60470702,0.0,-0.0231270285,GGA,Cmcm,A2B_oC12_63_2c_c:Sn-Tb,6.0,A2B_oC12_63_2c_c:Sn-Tb +mp-1217625,TbAgSn,-4.1352451617,-0.3097471756,0.29409394,0.2152636469,GGA,P-3m1,ABC_hP6_164_d_d_c:Ag-Sn-Tb,6.0,ABC_hP6_164_d_d_c:Ag-Sn-Tb +mp-31422,TbAgSn,-4.4293391017,-0.6038411156,0.0,-0.0788302931,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Sn-Tb,6.0,ABC_hP6_186_b_b_a:Ag-Sn-Tb +mp-1217616,TbAgSn,-4.3668629167,-0.5413649306,0.062476185,-0.0163541081,GGA,P-6m2,ABC_hP3_187_a_c_f:Ag-Sn-Tb,3.0,ABC_hP3_187_a_c_f:Ag-Sn-Tb +mp-1217617,TbAgSn,-3.9828684667,-0.1573704806,0.446470635,0.3676403419,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Sn-Tb,3.0,ABC_hP3_187_a_d_e:Ag-Sn-Tb +mp-30358,TbAg2,-3.7549123133,-0.3217529444,0.0,-0.0483676041,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Tb,3.0,A2B_tI6_139_e_a:Ag-Tb +mp-1079704,Tb3Sn7,-4.74981087,-0.5528007415,0.0,-0.0085644235,GGA,Cmmm,A7B3_oC20_65_ag2h_cg:Sn-Tb,10.0,A7B3_oC20_65_ag2h_cg:Sn-Tb +mp-1187267,Tb3Ag,-4.173460925,0.0104526508,0.16581108,0.16581108,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Tb,4.0,AB3_cP4_221_a_c:Ag-Tb +mp-1106357,Tb5Sn3,-5.1221278275,-0.7220595694,0.0,-0.0936268043,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Tb,16.0,A3B5_hP16_193_g_dg:Sn-Tb +mp-2268,TbAg,-4.04417791,-0.3107168583,0.0,-0.06940215,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Tb,2.0,AB_cP2_221_a_b:Ag-Tb +mp-1080069,TbSn3,-4.5364495,-0.3706790837,0.0899882008,0.0899882008,GGA,Amm2,A3B_oC16_38_3a3b_ab:Sn-Tb,8.0,A3B_oC16_38_3a3b_ab:Sn-Tb +mp-11570,TbSn3,-4.607088845,-0.4413184287,0.0193488558,0.0193488558,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Tb,4.0,A3B_cP4_221_c_a:Sn-Tb +mp-1185268,Li3Sc,-2.7927048638,0.2221045625,0.2221045625,0.2221045625,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Sc,8.0,A3B_hP8_194_h_c:Li-Sc +mp-865795,LiSc2Ru,-6.3265721625,-0.3645062583,0.0,-0.0314399528,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Li-Ru-Sc +mp-631366,TcSnSe,-5.2118582033,0.7435158892,1.1892159342,1.1892159342,GGA,F-43m,ABC_cF12_216_a_c_b:Se-Sn-Tc,3.0,ABC_cF12_216_a_c_b:Se-Sn-Tc +mp-1217417,Tc3Sn,-8.5722608425,0.20061133,0.20061133,0.20061133,GGA,P-6m2,AB3_hP4_187_a_bh:Sn-Tc,4.0,AB3_hP4_187_a_bh:Sn-Tc +mp-1187397,Tc3Sn,-8.5437703388,0.2291018337,0.2291018337,0.2291018337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Tc,8.0,AB3_hP8_194_c_h:Sn-Tc +mp-1187394,Tc3Sn,-8.54983003,0.2230421425,0.2230421425,0.2230421425,GGA,Fm-3m,AB3_cF16_225_a_bc:Sn-Tc,4.0,AB3_cF16_225_a_bc:Sn-Tc +mp-1205370,SnSe,-4.121057495,-0.3683158287,0.3002342387,0.1220065063,GGA,Pmmn,AB_oP8_59_e_e:Se-Sn,8.0,AB_oP8_59_e_e:Se-Sn +mp-691,SnSe,-4.4212917337,-0.6685500674,0.0,-0.1782277325,GGA,Pnma,AB_oP8_62_c_c:Se-Sn,8.0,AB_oP8_62_c_c:Se-Sn +mp-1179336,SnSe,-4.409616905,-0.6568752387,0.0116748287,-0.1665529037,GGA,Pnma,AB_oP8_62_c_c:Se-Sn,8.0,AB_oC8_63_c_c:Se-Sn +mp-2168,SnSe,-4.4066689475,-0.6539272812,0.0146227862,-0.1636049462,GGA,Cmcm,AB_oC8_63_c_c:Se-Sn,4.0,AB_oC8_63_c_c:Se-Sn +mp-628773,SnSe,-4.3454136925,-0.5926720262,0.0758780412,-0.1023496912,GGA,Cmcm,AB_oC8_63_c_c:Se-Sn,4.0,AB_oC8_63_c_c:Se-Sn +mp-1205455,SnSe,-3.7875392425,-0.0347975762,0.6337524912,0.4555247588,GGA,Cmcm,AB_oC16_63_g_g:Se-Sn,8.0,AB_oC16_63_g_g:Se-Sn +mp-8936,SnSe,-4.3750249925,-0.6222833262,0.0462667412,-0.1319609912,GGA,P4/nmm,AB_tP4_129_c_c:Se-Sn,4.0,AB_tP4_129_c_c:Se-Sn +mp-2693,SnSe,-4.41865949,-0.6659178237000001,0.0026322437,-0.1755954887,GGA,Fm-3m,AB_cF8_225_a_b:Se-Sn,2.0,AB_cF8_225_a_b:Se-Sn +mp-1187043,Sn3Se,-3.9443091575,-0.0631523968,0.2711226369,0.2711226369,GGA,Pm-3m,AB3_cP4_221_a_c:Se-Sn,4.0,AB3_cP4_221_a_c:Se-Sn +mp-1187055,Sn3Se,-3.955776645,-0.0746198843,0.2596551494,0.2596551494,GGA,Fm-3m,AB3_cF16_225_a_bc:Se-Sn,4.0,AB3_cF16_225_a_bc:Se-Sn +mp-665,SnSe2,-4.3208947167,-0.6537631132,0.0,-0.2080630683,GGA,P-3m1,A2B_hP3_164_d_a:Se-Sn,3.0,A2B_hP3_164_d_a:Se-Sn +mp-862920,PmIn3,-3.711031815,-0.4596334369,0.0,-0.4596334369,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pm,4.0,A3B_cP4_221_c_a:In-Pm +mp-862916,PmInCu2,-4.2260968025,-0.3009369544,0.0,-0.0640334433,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Pm,4.0,A2BC_cF16_225_c_a_b:Cu-In-Pm +mp-862289,AcHg3,-1.6743793438,-0.4163253181,0.0,-0.3926412162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Hg,8.0,AB3_hP8_194_c_h:Ac-Hg +mp-1187088,SnHg3,-1.1340889925,0.096064245,0.096064245,0.096064245,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Sn,8.0,A3B_hP8_194_h_c:Hg-Sn +mp-864795,Ac2SnHg,-3.689200105,-0.5502995462,0.0,-0.1855392138,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Hg-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Hg-Sn +mp-861939,Ac3Sn,-4.40449747,-0.3112232506,0.0,-0.3112232506,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Sn,4.0,A3B_cP4_221_c_a:Ac-Sn +mp-1187047,Sn3Hg,-3.0186263062,0.0644726762,0.0644726762,0.0644726762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Sn,8.0,AB3_hP8_194_c_h:Hg-Sn +mp-985291,Ac3Hg,-3.2378536525,-0.0710523056,0.0677228004,0.0677228004,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Hg,8.0,A3B_hP8_194_h_c:Ac-Hg +mp-1183197,AcSnHg2,-2.6028243125,-0.4182974144,0.0,-0.0584423143,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Sn,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Sn +mp-1096285,Li2CuAg,-1.71345952,0.9739425817,1.1185264167,1.1185264167,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cu-Li,4.0,ABC2_oI8_71_a_b_e:Ag-Cu-Li +mp-862658,LiCu3,-3.5863144425,-0.0346787233,0.0,-0.0346787233,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Li,4.0,A3B_tI8_139_ad_b:Cu-Li +mp-1185338,LiCu3,-3.5797432275,-0.0281075083,0.006571215,-0.0281075083,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Li,8.0,A3B_hP8_194_h_c:Cu-Li +mp-1185312,LiCu3,-3.584516845,-0.0328811258,0.0017975975,-0.0328811258,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Li,4.0,A3B_cP4_221_c_a:Cu-Li +mp-974058,LiCu3,-3.56919721,-0.0175614908,0.0171172325,-0.0175614908,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-Li,4.0,A3B_cF16_225_ac_b:Cu-Li +mp-975882,Li3Cu,-2.44612199,0.0103718275,0.0219314019,0.0219314019,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Li,4.0,AB3_tI8_139_a_bd:Cu-Li +mp-1096413,LiCuAg2,-1.6563051175,1.2620052683,1.391429185,1.391429185,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Cu-Li,4.0,A2BC_oI8_71_e_a_b:Ag-Cu-Li +mp-1193251,LaBe13,-3.9613095571,-0.136425675,0.0,-0.136425675,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-La,28.0,A13B_cF112_226_bi_a:Be-La +mp-1192952,LaBeCu12,-4.2398275789,-0.1065490068,0.0,-0.0233978622,GGA,Fm-3c,AB12C_cF112_226_b_i_a:Be-Cu-La,28.0,AB12C_cF112_226_b_i_a:Be-Cu-La +mp-1225530,DyHoMn4,-7.5102546483,0.1292881647,0.1361548889,0.1361548889,GGA,F-43m,ABC4_cF24_216_a_c_e:Dy-Ho-Mn,6.0,ABC4_cF24_216_a_c_e:Dy-Ho-Mn +mp-975467,Mn3Hg,-6.5197537725,0.4276777878,0.4276777878,0.4276777878,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Mn,4.0,AB3_cP4_221_a_c:Hg-Mn +mp-2222,MnHg,-4.400119955,0.3327278735,0.3327278735,0.3327278735,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Mn,2.0,AB_cP2_221_a_b:Hg-Mn +mp-1096028,MnHgPd2,-3.4118500275,1.5445147918000002,1.7410873017,1.7410873017,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Hg-Mn-Pd +mp-30720,Mn2Hg5,-2.5984311357000003,0.2362020656,0.2362020656,0.2362020656,GGA,P4/mbm,A5B2_tP14_127_cj_g:Hg-Mn,14.0,A5B2_tP14_127_cj_g:Hg-Mn +mp-1185994,MnHg3,-2.223849505,0.2944145918,0.2944145918,0.2944145918,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Mn,4.0,A3B_cP4_221_c_a:Hg-Mn +mp-524,Ba3As14,-4.6318675362,-0.4563038603,0.0,-0.0132252556,GGA,P2_1/c,A14B3_mP34_14_7e_ae:As-Ba,34.0,A14B3_mP34_14_7e_ae:As-Ba +mp-31243,BaAs2,-4.5322907528,-0.7865535028,0.0,-0.0490419683,GGA,Pc,A2B_mP18_7_6a_3a:As-Ba,18.0,A2B_mP18_7_6a_3a:As-Ba +mp-1013560,Ba3As2,-3.6677144,-0.652682074,0.4141938398,0.4141938398,GGA,Pm-3m,A2B3_cP5_221_ab_c:As-Ba,5.0,A2B3_cP5_221_ab_c:As-Ba +mp-685008,Ba20As13,-4.0686108177,-1.0701854218,0.0,-0.045921053,GGA,Fdd2,A13B20_oF264_43_a6b_10b:As-Ba,66.0,"Invalid WP multiplicities - A13B20_oF264_43_2a22b_35b:As-Ba, expected Ba35As23 to be Ba20As13" +mp-1214488,Ba4As3,-4.1445960864,-1.0512739471,0.0,-0.0171052769,GGA,I-43d,A3B4_cI28_220_a_c:As-Ba,14.0,A3B4_cI28_220_a_c:As-Ba +mp-620346,Ba3InAs3,-4.1908207493,-0.9785402114,0.0,-0.1099798324,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:As-Ba-In,28.0,"Invalid WP multiplicities - A3B3C_oP28_62_5c_10c_c:As-Ba-In, expected Ba10InAs5 to be Ba3InAs3" +mp-10045,Ba5As3,-3.956022245,-1.0094935056,0.009240694,0.009240694,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Ba,16.0,A3B5_hP16_193_g_dg:As-Ba +mp-2768,Ba2As,-3.6684232017,-0.8360671067000001,0.0694744041,0.0694744041,GGA,I4/mmm,AB2_tI12_139_e_ce:As-Ba,6.0,AB2_tI12_139_e_ce:As-Ba +mp-644875,Ba2(InAs)5,-3.9392587752,-0.5315953956,0.0,-0.0367207163,GGA,Pnma,A5B2C5_oP48_62_5c_2c_5c:As-Ba-In,48.0,"Invalid WP multiplicities - A5B2C5_oP48_62_18c_4c_17c:As-Ba-In, expected Ba4In17As18 to be Ba2(InAs)5" +mp-15325,BaAs3,-4.6017772287,-0.62769469,0.0,-0.0165863098,GGA,C2/m,A3B_mC16_12_ij_i:As-Ba,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_i:As-Ba, expected BaAs5 to be BaAs3" +mp-1189210,Tm5Sn3,-4.9970549188,-0.6960683335000001,0.0,-0.1491429751,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Tm,16.0,A3B5_hP16_193_g_dg:Sn-Tm +mp-1080427,TmSnIr,-6.6322182533,-0.8576044339000001,0.0,-0.164357335,GGA,P-62m,ABC_hP9_189_ad_g_f:Ir-Sn-Tm,9.0,ABC_hP9_189_ad_g_f:Ir-Sn-Tm +mp-1078819,TmSn3,-4.44457832,-0.3184405729,0.0858432375,0.0858432375,GGA,Amm2,A3B_oC16_38_3a3b_ab:Sn-Tm,8.0,A3B_oC16_38_3a3b_ab:Sn-Tm +mp-1187647,Tm3Sn,-4.73607119,-0.3768016587,0.0872438969,0.0872438969,GGA,I4/mmm,AB3_tI8_139_a_bd:Sn-Tm,4.0,AB3_tI8_139_a_bd:Sn-Tm +mp-1187649,Tm3Sn,-4.729712415,-0.3704428837,0.0936026719,0.0936026719,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Tm,8.0,AB3_hP8_194_c_h:Sn-Tm +mp-1199158,Tm11Sn10,-4.9384496967,-0.6846445440000001,0.0,-0.0430536655,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Sn-Tm,42.0,A10B11_tI84_139_dehim_eh2n:Sn-Tm +mp-1077102,TmSn2,-4.704038125,-0.5390450806,0.0,-0.1033621889,GGA,Cmcm,A2B_oC12_63_2c_c:Sn-Tm,6.0,A2B_oC12_63_2c_c:Sn-Tm +mp-977409,NbTc2Ge,-9.120710495,-0.2593077988,0.0,-0.0485941943,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Nb-Tc,4.0,ABC2_cF16_225_a_b_c:Ge-Nb-Tc +mp-1212972,Dy3In5,-3.8982694313,-0.450922035,0.0,-0.023242285,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Dy-In,16.0,A3B5_oC32_63_ce_cfg:Dy-In +mp-974059,LiDyIn2,-3.38048694,-0.3757176483,0.0137047062,0.0137047062,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Li,4.0,AB2C_cF16_225_a_c_b:Dy-In-Li +mp-20786,Dy3In,-4.4037820725,-0.26077101,0.0001488362,0.0001488362,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-In,4.0,A3B_cP4_221_c_a:Dy-In +mp-1185324,LiDy2In,-3.7290012175,-0.2604561483,0.0122757869,0.0122757869,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-In-Li,4.0,A2BC_cF16_225_c_a_b:Dy-In-Li +mp-865580,Li2DyIn,-3.0786231,-0.2845440242,0.0,-0.0187876525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-In-Li,4.0,ABC2_cF16_225_a_b_c:Dy-In-Li +mp-257,DyIn,-4.12829697,-0.449061685,0.0,-0.0329257537,GGA,Pm-3m,AB_cP2_221_a_b:Dy-In,2.0,AB_cP2_221_a_b:Dy-In +mp-568144,Dy5In3,-4.2924730013,-0.3813498275,0.0,-0.00816456,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Dy-In,16.0,"Invalid WP multiplicities - A5B3_tI32_140_b2k_2a2h:Dy-In, expected Dy3In2 to be Dy5In3" +mp-21351,Dy2In,-4.336312265,-0.3478931283,0.0,-0.00673624,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Dy-In,6.0,A2B_hP6_194_ac_d:Dy-In +mp-20236,DyIn3,-3.6217573225,-0.406297815,0.0,-0.105683125,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-In,4.0,AB3_cP4_221_a_c:Dy-In +mp-1183523,Ca3Dy,-2.524436085,0.131460535,0.131460535,0.131460535,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Dy,8.0,A3B_hP8_194_h_c:Ca-Dy +mp-1061855,DyHg2,-1.8077127333,-0.0696635433,0.3249890442,0.3249890442,GGA,P-3m1,AB2_hP3_164_a_d:Dy-Hg,3.0,AB2_hP3_164_a_d:Dy-Hg +mp-11367,DyHg2,-2.1177387567,-0.3796895667,0.0149630208,0.0149630208,GGA,P6/mmm,AB2_hP3_191_a_d:Dy-Hg,3.0,AB2_hP3_191_a_d:Dy-Hg +mp-1183497,CaDy3,-3.8242144625,0.1322756375,0.1322756375,0.1322756375,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Dy,4.0,AB3_tI8_139_a_bd:Ca-Dy +mp-866228,CaDyHg2,-2.3363764625,-0.5314396,0.0,-0.012216585,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Dy-Hg,4.0,ABC2_cF16_225_a_b_c:Ca-Dy-Hg +mp-1184059,Dy3Hg,-3.68182375,-0.1508135288,0.0923472175,0.0923472175,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Hg,4.0,A3B_cP4_221_c_a:Dy-Hg +mp-864994,DyHg3,-1.7282751188,-0.348818135,0.0,-0.06405096,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Hg,8.0,AB3_hP8_194_c_h:Dy-Hg +mp-2443,DyHg,-2.941555095,-0.4863214925,0.0,-0.198182341,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Hg,2.0,AB_cP2_221_a_b:Dy-Hg +mp-862728,Pm2ZnRu,-5.265195125,-0.2563874262,0.0,-0.149322214,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Ru-Zn +mp-1244877,GaSb,-3.4973871029,0.0811615283,0.3339356071,0.0811615284,GGA,P1,AB_aP100_1_50a_50a:Ga-Sb,100.0,AB_aP100_1_50a_50a:Ga-Sb +mp-1244895,GaSb,-3.5464643152,0.032084316,0.2848583948,0.0320843161,GGA,P1,AB_aP100_1_50a_50a:Ga-Sb,100.0,AB_aP100_1_50a_50a:Ga-Sb +mp-1245088,GaSb,-3.5440460325,0.0345025987,0.2872766775,0.0345025988,GGA,P1,AB_aP100_1_50a_50a:Ga-Sb,100.0,AB_aP100_1_50a_50a:Ga-Sb +mp-1245146,GaSb,-3.5461095745,0.0324390568,0.2852131355,0.0324390568,GGA,P1,AB_aP100_1_50a_50a:Ga-Sb,100.0,AB_aP100_1_50a_50a:Ga-Sb +mp-1245217,GaSb,-3.5180472447,0.0605013866,0.3132754653,0.0605013866,GGA,P1,AB_aP100_1_50a_50a:Ga-Sb,100.0,AB_aP100_1_50a_50a:Ga-Sb +mp-684664,GaSb,-3.637271785,-0.0587231537,0.194050925,-0.0587231537,GGA,Immm,AB_oI4_71_a_b:Ga-Sb,2.0,AB_oI4_71_a_b:Ga-Sb +mp-1224785,GaSb,-3.646576195,-0.0680275637,0.184746515,-0.0680275637,GGA,I-4m2,AB_tI4_119_a_c:Ga-Sb,2.0,AB_tI4_119_a_c:Ga-Sb +mp-1018059,GaSb,-3.818369155,-0.2398205237,0.012953555,-0.2398205237,GGA,P6_3mc,AB_hP4_186_b_b:Ga-Sb,4.0,AB_hP4_186_b_b:Ga-Sb +mp-1156,GaSb,-3.83132271,-0.2527740787,0.0,-0.2527740787,GGA,F-43m,AB_cF8_216_a_c:Ga-Sb,2.0,AB_cF8_216_a_c:Ga-Sb +mp-1184258,Ga3Sb,-3.2828734075,0.0204489194,0.1468359588,0.1468359588,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Sb,4.0,A3B_tI8_139_ad_b:Ga-Sb +mp-1184224,GaSb3,-3.790580425,0.0631945106,0.18958155,0.18958155,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Sb,4.0,AB3_cF16_225_a_bc:Ga-Sb +mp-1224811,GaNi3Sb,-5.089599596,-0.1900981355,0.165025191,0.165025191,GGA,P-6m2,AB3C_hP5_187_b_ai_c:Ga-Ni-Sb,5.0,AB3C_hP5_187_b_ai_c:Ga-Ni-Sb +mp-10850,SbTePd,-4.7283773725,-0.5776477247,0.0,-0.0302186325,GGA,P2_13,ABC_cP12_198_a_a_a:Pd-Sb-Te,12.0,ABC_cP12_198_a_a_a:Pd-Sb-Te +mp-1219556,Sb2Te4Pd3,-4.5725005914,-0.5312926488,0.0589970558,0.0589970558,GGA,P1,A3B2C4_aP36_1_12a_8a_16a:Pd-Sb-Te,36.0,A3B2C4_aP36_1_12a_8a_16a:Pd-Sb-Te +mp-1219442,SbTePd2,-4.9746714375,-0.5666537492,0.0,-0.009699385,GGA,P-6m2,A2BC_hP4_187_i_a_d:Pd-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Pd-Sb-Te +mp-1184417,Gd3Al,-11.7038470125,-0.210361375,0.0,-0.0035643256,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Gd,4.0,AB3_cP4_221_a_c:Al-Gd +mp-19923,GdAl2,-7.720092075,-0.531000775,0.0,-0.1027623738,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Gd,6.0,A2B_cF24_227_c_b:Al-Gd +mp-1078585,GdAl,-9.3244431338,-0.4135940987,0.0,-0.0108490838,GGA,Cmcm,AB_oC16_63_ac_g:Al-Gd,8.0,AB_oC16_63_ac_g:Al-Gd +mp-12753,GdAl,-9.30614562,-0.395296585,0.0182975137,0.00744843,GGA,Pm-3m,AB_cP2_221_a_b:Al-Gd,2.0,AB_cP2_221_a_b:Al-Gd +mp-865411,GdAl3,-6.763772985,-0.4355605525,0.0,-0.0373099713,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Gd,8.0,A3B_hP8_194_h_c:Al-Gd +mp-680956,Gd6Ta4Al43,-5.7865486997,-0.2592354044,0.0342984865,0.0342984865,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Gd-Ta,106.0,"Invalid WP multiplicities - A43B6C4_hP106_193_5g7h11i12j20k17l_k_2b2g:Al-Gd-Ta, expected Gd6Ta8Al505 to be Gd6Ta4Al43" +mp-1222143,Mg3InAg4,-2.5597801775,-0.1994366908,0.0023341787,0.0023341787,GGA,R-3m,A4BC3_hR24_166_2c_a_bc:Ag-In-Mg,8.0,"Invalid WP multiplicities - A4BC3_hR24_166_4c_a_bc:Ag-In-Mg, expected Mg3InAg8 to be Mg3InAg4" +mp-973088,MgInAg2,-2.6571061425,-0.1528371958,0.0,-0.008328006,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-In-Mg +mp-1097591,Mg2InAg,-1.0731838525,1.1230161058,1.278103028,1.278103028,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-In-Mg,4.0,ABC2_oI8_71_a_b_e:Ag-In-Mg +mp-1096496,NaZn2Au,-1.1601506,0.6188230284,0.817396094,0.817396094,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Na-Zn,4.0,ABC2_oI8_71_a_b_e:Au-Na-Zn +mp-1025364,Dy(TiGa2)2,-5.1796149286,-0.5353070767,0.0095809471,0.0095809471,GGA,I4/mmm,AB4C2_tI14_139_a_h_d:Dy-Ga-Ti,7.0,AB4C2_tI14_139_a_h_d:Dy-Ga-Ti +mp-1187217,SrPmPt2,-5.54528026,-0.899704656,0.0,-0.2604830381,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Pt-Sr,4.0,AB2C_cF16_225_a_c_b:Pm-Pt-Sr +mp-1187235,SrPm3,-3.8250617488,0.1602183565,0.1602183565,0.1602183565,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Sr,8.0,A3B_hP8_194_h_c:Pm-Sr +mp-1104074,Sr3Pt2,-4.191493642,-0.749344242,0.0,-0.0270408801,GGA,R-3,A2B3_hR45_148_f_acf:Pt-Sr,15.0,A2B3_hR45_148_f_acf:Pt-Sr +mp-570832,SrPt5,-5.8639143283,-0.5230543194,0.0,-0.0969065742,GGA,P6/mmm,A5B_hP6_191_cg_a:Pt-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Pt-Sr, expected SrPt13 to be SrPt5" +mp-1349,SrPt2,-5.4628821883,-0.8522954906,0.0,-0.2266385521,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Sr,6.0,A2B_cF24_227_c_b:Pt-Sr +mp-30843,Sr7Pt3,-3.6359353713,-0.6319499579,0.0,-0.0699417764,GGA,Pnma,A3B7_oP40_62_cd_c3d:Pt-Sr,40.0,"Invalid WP multiplicities - A3B7_oP40_62_cd_c4d:Pt-Sr, expected Sr3Pt to be Sr7Pt3" +mp-1203497,Sr5Pt4,-4.39934938,-0.7624604304,0.0040423531,0.0040423531,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pt-Sr,36.0,A4B5_oP36_62_2cd_c2d:Pt-Sr +mp-1208740,Sr4Pt,-2.731756484,-0.1659350573,0.2553649146,0.2553649146,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Sr,10.0,AB4_cF40_227_a_e:Pt-Sr +mp-1187161,Sr3Pm,-2.2772997162,0.1774559544,0.1774559544,0.1774559544,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Sr,8.0,AB3_hP8_194_c_h:Pm-Sr +mp-1216565,TmBeCu4,-4.2974178767,-0.1954053819,0.0113879583,0.0113879583,GGA,R3m,AB4C_hR18_160_a_ab_a:Be-Cu-Tm,6.0,AB4C_hR18_160_a_ab_a:Be-Cu-Tm +mp-1193090,TmBe13,-3.9769437496,-0.1849292733,0.0,-0.1849292733,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Tm,28.0,A13B_cF112_226_bi_a:Be-Tm +mp-1186628,PmPrIr2,-7.36298139,-0.5609022806,0.0,-0.0513039106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pm-Pr,4.0,A2BC_cF16_225_c_a_b:Ir-Pm-Pr +mp-983312,TmLuRu2,-7.331153185,-0.4447554292,0.0,-0.0139429256,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Tm +mp-972416,Tm3Lu,-4.482972135,0.0041420625,0.0041420625,0.0041420625,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Tm,8.0,AB3_hP8_194_c_h:Lu-Tm +mp-1187686,TmLu3,-4.5080413313,0.0016304146,0.0016304146,0.0016304146,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Tm,8.0,A3B_hP8_194_h_c:Lu-Tm +mp-568342,TbCl,-5.0060945575,-1.7646431775,0.0727232433,0.0727232433,GGA,R-3m,AB_hR12_166_c_c:Cl-Tb,4.0,AB_hR12_166_c_c:Cl-Tb +mp-27923,TbCl,-5.006997615,-1.765546235,0.0718201858,0.0718201858,GGA,R-3m,AB_hR12_166_c_c:Cl-Tb,4.0,AB_hR12_166_c_c:Cl-Tb +mp-1214626,Ba2TbCl7,-5.0152480462,-2.8740407863,0.0,-0.0036154388,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Tb,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Tb +mp-1183384,BaTb,-2.975261645,0.301408875,0.301408875,0.301408875,GGA,P-6m2,AB_hP2_187_a_d:Ba-Tb,2.0,AB_hP2_187_a_d:Ba-Tb +mp-23293,TbCl3,-5.26498456,-2.71999054,0.0037149587,-1.3419657244,GGA,Cmcm,A3B_oC16_63_cf_c:Cl-Tb,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:Cl-Tb, expected TbCl5 to be TbCl3" +mp-570232,TbCl3,-5.2686995188,-2.7237054988,0.0,-1.3456806831,GGA,P4_2/mnm,A3B_tP16_136_fj_e:Cl-Tb,16.0,"Invalid WP multiplicities - A3B_tP16_136_4f5j_e:Cl-Tb, expected TbCl14 to be TbCl3" +mp-568170,TbCl3,-5.2449858137,-2.6999917937,0.023713705,-1.3219669781,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Tb,8.0,A3B_hP8_176_h_c:Cl-Tb +mp-1205852,Tb2Cl3,-5.167708141,-2.204839705,0.0,-0.025875306,GGA,C2/m,A3B2_mC20_12_3i_2i:Cl-Tb,10.0,A3B2_mC20_12_3i_2i:Cl-Tb +mp-1183343,Ba3Tb,-2.36150014,0.23632259,0.23632259,0.23632259,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Tb,4.0,A3B_tI8_139_ad_b:Ba-Tb +mp-978919,Ba3Tb,-2.3761890125000003,0.2216337175,0.2216337175,0.2216337175,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Tb,8.0,A3B_hP8_194_h_c:Ba-Tb +mp-23199,BaCl2,-4.8162561283,-2.9442400417,0.0239985383,-2.9442400417,GGA,Pnma,AB2_oP12_62_c_2c:Ba-Cl,12.0,AB2_oP12_62_c_2c:Ba-Cl +mp-567680,BaCl2,-4.8101634211,-2.9381473344,0.0300912456,-2.9381473344,GGA,P-62m,AB2_hP9_189_ad_fg:Ba-Cl,9.0,"Invalid WP multiplicities - AB2_hP9_189_ad_2f3g:Ba-Cl, expected BaCl5 to be BaCl2" +mp-568662,BaCl2,-4.8402546667,-2.96823858,0.0,-2.96823858,GGA,Fm-3m,AB2_cF12_225_a_c:Ba-Cl,3.0,AB2_cF12_225_a_c:Ba-Cl +mp-659211,GaCl3,-2.59301197,-0.4495854694,1.1182911063,0.7800762719000001,GGA,P-1,A3B_aP8_2_3i_i:Cl-Ga,8.0,"Invalid WP multiplicities - A3B_aP8_2_6i_i:Cl-Ga, expected GaCl6 to be GaCl3" +mp-571266,GaCl3,-3.7098212363,-1.5663947356,0.00148184,-0.3367329944,GGA,P-1,A3B_aP8_2_3i_i:Cl-Ga,8.0,"Invalid WP multiplicities - A3B_aP8_2_6i_i:Cl-Ga, expected GaCl6 to be GaCl3" +mp-30952,GaCl3,-3.7113030763,-1.5678765756000002,0.0,-0.3382148344,GGA,C2/m,A3B_mC16_12_g2i_i:Cl-Ga,8.0,A3B_mC16_12_g2i_i:Cl-Ga +mp-616204,Ga3Cl7,-3.6779985583,-1.4755940895,0.0096019035,0.0096019035,GGA,Pna2_1,A7B3_oP40_33_7a_3a:Cl-Ga,40.0,"Invalid WP multiplicities - A7B3_oP40_33_26a_8a:Cl-Ga, expected Ga4Cl13 to be Ga3Cl7" +mp-1213982,Cd(GaCl4)2,-3.5410573782,-1.5622050977000002,0.0,-0.0139223691,GGA,Pc,AB8C2_mP22_7_a_8a_2a:Cd-Cl-Ga,22.0,AB8C2_mP22_7_a_8a_2a:Cd-Cl-Ga +mp-568848,GaCl2,-3.6717987188,-1.4300756046,0.0,-0.0247479003,GGA,Pnna,A2B_oP24_52_2e_cd:Cl-Ga,24.0,"Invalid WP multiplicities - A2B_oP24_52_10e_3c3d:Cl-Ga, expected Ga3Cl10 to be GaCl2" +mp-1182452,CrGa,-6.3560284577,-0.0154567114,0.0822481861,0.0822481861,GGA,R-3m,AB_hR78_166_a2h_bfh:Cr-Ga,26.0,AB_hR78_166_a2h_bfh:Cr-Ga +mp-18654,Cr3Ga4,-5.8920995795,-0.024738651,0.086924089,0.086924089,GGA,C2/m,A3B4_mC42_12_a2ij_2i2j:Cr-Ga,21.0,A3B4_mC42_12_a2ij_2i2j:Cr-Ga +mp-1097653,CrGaRu2,-4.80733165,3.0001554931,3.19435841,3.1551735344,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ga-Ru,4.0,ABC2_oI8_71_a_b_e:Cr-Ga-Ru +mp-1183688,CrGaRu2,-8.00169006,-0.1942029169,0.0,-0.0391848756,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ga-Ru,4.0,ABC2_cF16_225_a_b_c:Cr-Ga-Ru +mp-1070544,CrGa4,-4.509414148,-0.156327836,0.0,-0.1447831322,GGA,Im-3m,AB4_cI10_229_a_c:Cr-Ga,5.0,AB4_cI10_229_a_c:Cr-Ga +mp-1226177,CrRu,-9.33403927,0.129685735,0.129685735,0.129685735,GGA,P-6m2,AB_hP2_187_a_d:Cr-Ru,2.0,AB_hP2_187_a_d:Cr-Ru +mp-1226223,Cr3Ru,-9.3811042875,0.17728195,0.17728195,0.17728195,GGA,Cmmm,A3B_oC8_65_bk_c:Cr-Ru,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Cr-Ru, expected Cr5Ru to be Cr3Ru" +mp-1272,Cr3Ru,-9.4763967237,0.0819895138,0.0819895138,0.0819895138,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Ru,8.0,A3B_cP8_223_c_a:Cr-Ru +mp-1231,Cr3Ga,-8.0386248162,-0.0418152081,0.0070372406,0.0070372406,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Ga,8.0,A3B_cP8_223_c_a:Cr-Ga +mp-1103570,Ca5Pt2,-3.8704165293,-0.7032356664,0.0,-0.0932113888,GGA,C2/c,A5B2_mC28_15_e2f_f:Ca-Pt,14.0,A5B2_mC28_15_e2f_f:Ca-Pt +mp-30481,CaPt5,-5.9068605783,-0.513316165,0.0,-0.047351265,GGA,P6/mmm,AB5_hP6_191_a_cg:Ca-Pt,6.0,AB5_hP6_191_a_cg:Ca-Pt +mp-1214057,Ca4Pt,-2.9707264440000003,-0.152019876,0.3402450905,0.3402450905,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Pt,10.0,A4B_cF40_227_e_a:Ca-Pt +mp-1103211,CaPt2,-5.5943628092,-0.8784073025,0.0535224975,-0.2340458207,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ca-Pt,12.0,AB2_hP12_194_f_ah:Ca-Pt +mp-842,CaPt2,-5.6478853067,-0.9319298,0.0,-0.2875683182,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Pt,6.0,AB2_cF24_227_a_d:Ca-Pt +mp-984698,Ca3Pt2,-4.4858472447,-0.8540339887,0.0,-0.043910887,GGA,R-3,A3B2_hR45_148_acf_f:Ca-Pt,15.0,"Invalid WP multiplicities - A3B2_hR45_148_a2c3f_f:Ca-Pt, expected Ca23Pt6 to be Ca3Pt2" +mp-1096542,Ca2PdPt,-2.9976748925,0.8178788300000001,1.6119509748,1.6119509748,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:Ca-Pd-Pt +mp-1183493,Ca2PdPt,-4.6035252525,-0.78797153,0.0061006148,0.0061006148,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Ca-Pd-Pt +mp-1105651,Ca5Pt3,-4.3288786438,-0.7987037238,0.0223431319,0.0223431319,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Ca-Pt,16.0,A5B3_tI32_140_bk_ah:Ca-Pt +mp-11576,YbTl,-2.4374607,-0.4863349867,0.0,-0.176589214,GGA,Pm-3m,AB_cP2_221_a_b:Tl-Yb,,AB_cP2_221_a_b:Tl-Yb +mp-570438,Yb8Tl3,-2.0638604723,-0.2997881377,0.0,-0.0203058568,GGA,P-1,A3B8_aP22_2_be2i_8i:Tl-Yb,,"Invalid WP multiplicities - A3B8_aP22_2_be4i_16i:Tl-Yb, expected Yb16Tl5 to be Yb8Tl3" +mp-1183236,AcYb3,-2.12477414,0.0602258219,0.0602258219,0.0602258219,GGA,Fm-3m,AB3_cF16_225_a_bc:Ac-Yb,,AB3_cF16_225_a_bc:Ac-Yb +mp-985506,Ac3Tl,-3.7789236,-0.0973815577,0.0,-0.0973815577,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Tl,8.0,A3B_hP8_194_h_c:Ac-Tl +mp-570164,YbTl3,-2.41886468,-0.26198025,0.0,-0.0188127567,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-Yb,,A3B_cP4_221_c_a:Tl-Yb +mp-569605,Yb2Tl,-2.15554269,-0.3415894544,0.0079445097,0.0079445097,GGA,Pnma,AB2_oP12_62_c_2c:Tl-Yb,,"Invalid WP multiplicities - AB2_oP12_62_c_4c:Tl-Yb, expected Yb4Tl to be Yb2Tl" +mp-1183088,Ac3Yb,-3.43928433,0.0364989956,0.0364989956,0.0364989956,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Yb,,A3B_tI8_139_ad_b:Ac-Yb +mp-972002,Ac3Yb,-3.419855105,0.0559282206,0.0559282206,0.0559282206,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Yb,,A3B_hP8_194_h_c:Ac-Yb +mp-1183059,Ac3Yb,-3.445843235,0.0299400906,0.0299400906,0.0299400906,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Yb,,A3B_cP4_221_c_a:Ac-Yb +mp-1183192,AcYbTl2,-3.0158684375,-0.4193510423,0.0,-0.1374521108,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Tl-Yb,,AB2C_cF16_225_a_c_b:Ac-Tl-Yb +mp-11521,ScNi,-6.56347999,-0.5071770975000001,0.0,-0.0684729208,GGA,Pm-3m,AB_cP2_221_a_b:Ni-Sc,2.0,AB_cP2_221_a_b:Ni-Sc +mp-1186988,ScNi3,-6.30737452,-0.3891547337,0.0330196421,0.0330196421,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Sc,8.0,A3B_hP8_194_h_c:Ni-Sc +mp-1186985,ScNi3,-6.31645434,-0.3982345537,0.0239398221,0.0239398221,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Sc,4.0,A3B_cP4_221_c_a:Ni-Sc +mp-1211596,Sc4Ni,-5.974874937,0.247127683,0.46101961,0.46101961,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Sc,10.0,AB4_cF40_227_a_e:Ni-Sc +mp-570673,ScNi5,-6.155612735,-0.2834206508,0.0085232729,0.0085232729,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Sc,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Ni-Sc, expected ScNi13 to be ScNi5" +mp-867501,Sc2Ni,-6.5048448417,-0.356486545,0.0,-0.01836848,GGA,Fd-3m,AB2_cF96_227_e_cf:Ni-Sc,24.0,AB2_cF96_227_e_cf:Ni-Sc +mp-850,ScNi2,-6.4851692967,-0.5209218083,0.0,-0.0844958303,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Sc,6.0,A2B_cF24_227_c_b:Ni-Sc +mp-972961,Sc2NiRh,-7.2011662425,-0.7488205525,0.0203735475,0.0203735475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Ni-Rh-Sc +mp-1197416,Sc2Ni7,-6.2921357839,-0.389258565,0.0,-0.0266708617,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Sc,36.0,A7B2_hP36_194_aefhk_2f:Ni-Sc +mp-570820,La4CdRu,-5.2920097133,-0.3017895933,0.0,-0.0344720017,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-La-Ru,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_3e3f4g_e:Cd-La-Ru, expected La27(CdRu)2 to be La4CdRu" +mp-1426,Sm2Fe17,-8.0522720047,0.0228613026,0.0228613026,0.0228613026,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Sm,19.0,A17B2_hR57_166_cdfh_c:Fe-Sm +mp-985581,SmFe12,-7.9226141354,0.2588351458,0.2588351458,0.2588351458,GGA,I4/mmm,A12B_tI26_139_hij_a:Fe-Sm,13.0,A12B_tI26_139_hij_a:Fe-Sm +mp-1104899,SmFe12,-8.1577284,0.0237208812,0.0237208812,0.0237208812,GGA,I4/mmm,A12B_tI26_139_fij_a:Fe-Sm,13.0,A12B_tI26_139_fij_a:Fe-Sm +mp-1193555,Sm6Fe23,-7.6696866807,0.0241755483,0.0241755483,0.0241755483,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Sm,29.0,A23B6_cF116_225_ad2f_e:Fe-Sm +mp-1196845,Sm6TlFe13,-7.101998121,-0.0627763367,0.0,-0.0205677296,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Sm-Tl,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Sm-Tl +mp-1102187,SmFe3,-7.5246613317,0.0075011096,0.0075011096,0.0075011096,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Sm,12.0,A3B_hR36_166_ach_bc:Fe-Sm +mp-1729,SmFe2,-7.1967578483,0.0227850033,0.0227850033,0.0227850033,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Sm,6.0,A2B_cF24_227_c_b:Fe-Sm +mp-1566,SmFe5,-7.83828432,0.0064977108,0.0064977108,0.0064977108,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Sm,6.0,A5B_hP6_191_cg_a:Fe-Sm +mp-978962,Tl3Fe,-3.2962419075,0.593245755,0.593245755,0.593245755,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Tl,4.0,AB3_cP4_221_a_c:Fe-Tl +mp-1078965,Cs2Sb2Pd,-3.614015653,-0.5682778462,0.0,-0.0774500973,GGA,Cmcm,A2BC2_oC20_63_2c_a_g:Cs-Pd-Sb,10.0,A2BC2_oC20_63_2c_a_g:Cs-Pd-Sb +mp-1204039,CsSb,-3.0448542488,-0.5326524427,0.0020157906,-0.074314778,GGA,P2_1/c,AB_mP32_14_4e_4e:Cs-Sb,32.0,AB_mP32_14_4e_4e:Cs-Sb +mp-573514,CsSb,-3.0468700394,-0.5346682333,0.0,-0.0763305686,GGA,P2_12_12_1,AB_oP16_19_2a_2a:Cs-Sb,16.0,AB_oP16_19_6a_6a:Cs-Sb +mp-628742,Cs5Sb8,-3.3557811,-0.4704717323,0.0,-0.0591884759,GGA,P2_1/c,A5B8_mP52_14_5e_8e:Cs-Sb,52.0,"Invalid WP multiplicities - A5B8_mP52_14_19e_30e:Cs-Sb, expected Cs19Sb30 to be Cs5Sb8" +mp-1191118,Cs2Sb,-2.4140793396,-0.4408106782,0.0,-0.0274379148,GGA,Pnma,A2B_oP24_62_4c_2c:Cs-Sb,24.0,A2B_oP24_62_4c_2c:Cs-Sb +mp-10378,Cs3Sb,-2.0565271175,-0.3527250284,0.0,-0.0221170198,GGA,Fm-3m,A3B_cF16_225_ac_b:Cs-Sb,4.0,A3B_cF16_225_ac_b:Cs-Sb +mp-1208431,Ta4Co,-9.870282451,1.037603212,1.187160105,1.187160105,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Ta,10.0,AB4_cF40_227_a_e:Co-Ta +mp-1104548,Ta7Co6,-9.9172148038,-0.2514955592,0.0,-0.0033024446,GGA,R-3m,A6B7_hR39_166_h_a3c:Co-Ta,13.0,A6B7_hR39_166_h_a3c:Co-Ta +mp-574,Ta2Co,-10.52388584,-0.2492614883,0.0,-0.0676258067,GGA,I4/mcm,AB2_tI12_140_a_h:Co-Ta,6.0,AB2_tI12_140_a_h:Co-Ta +mp-1102370,Ta2Co,-10.0547801383,0.2198442133,0.4691057017,0.401479895,GGA,P6_3/mcm,AB2_hP12_193_d_bg:Co-Ta,12.0,AB2_hP12_193_d_bg:Co-Ta +mp-1218179,TaCo,-9.730920315,-0.2478726025,0.0019177598,0.0019177598,GGA,R-3m,AB_hR78_166_a2h_b6c:Co-Ta,26.0,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Co-Ta, expected Ta19Co67 to be TaCo" +mp-1009826,TaCo,-9.601979595,-0.1189318825,0.1308584798,0.1308584798,GGA,Pm-3m,AB_cP2_221_a_b:Co-Ta,2.0,AB_cP2_221_a_b:Co-Ta +mp-1218015,TaCoNi2,-7.9626332812,-0.331041085,0.0,-0.0109545343,GGA,Amm2,AB2C_oC16_38_d_abe_ab:Co-Ni-Ta,8.0,AB2C_oC16_38_d_abe_ab:Co-Ni-Ta +mp-1217989,Ta4CoNi,-10.2971883417,-0.2439275092,0.0,-0.001746465,GGA,I422,ABC4_tI12_97_a_b_j:Co-Ni-Ta,6.0,ABC4_tI12_97_a_b_j:Co-Ni-Ta +mp-570463,TaCo2,-8.9108392671,-0.2193681938,0.0230329817,0.0230329817,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Co-Ta,24.0,"Invalid WP multiplicities - A2B_hP24_194_4f6g4h_2e3f:Co-Ta, expected Ta5Co19 to be TaCo2" +mp-570430,TaCo2,-8.9046321275,-0.2131610542,0.0292401213,0.0292401213,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Co-Ta,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Co-Ta, expected TaCo4 to be TaCo2" +mp-1799,TaCo2,-8.9086216067,-0.2171505333,0.0252506421,0.0252506421,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Ta,6.0,A2B_cF24_227_c_b:Co-Ta +mp-1218093,TaCo3,-8.4505289867,-0.1548462329,0.0838603492,0.0096799124,GGA,P3m1,A3B_hP12_156_a2b2d_a2c:Co-Ta,12.0,A3B_hP12_156_a2b2d_a2c:Co-Ta +mp-1218185,TaCo3,-8.436981435,-0.1412986813,0.0974079008,0.0232274641,GGA,P-3m1,A3B_hP24_164_c2defi_c2d:Co-Ta,24.0,A3B_hP24_164_c2defi_c2d:Co-Ta +mp-7851,TaCo3,-8.5343893358,-0.2387065821,0.0,-0.0741804368,GGA,R-3m,A3B_hR36_166_dh_bc:Co-Ta,12.0,A3B_hR36_166_dh_bc:Co-Ta +mp-1095124,TaCo3,-8.5290185312,-0.2333357775,0.0053708046,-0.0688096322,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Ta,8.0,A3B_hP8_194_h_c:Co-Ta +mp-11358,TaCo3,-8.5322427925,-0.2365600387,0.0021465433,-0.0720338934,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Ta,4.0,A3B_cP4_221_c_a:Co-Ta +mp-23163,CsBi2,-3.1997893217,-0.3409957776,0.0,-0.0821999371,GGA,Fd-3m,A2B_cF24_227_c_b:Bi-Cs,6.0,A2B_cF24_227_c_b:Bi-Cs +mp-574498,Cs3Bi2,-2.418431444,-0.3449943688,0.0063791111,0.0063791111,GGA,C2/c,A2B3_mC20_15_f_ef:Bi-Cs,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e2f:Bi-Cs, expected Cs3Bi to be Cs3Bi2" +mp-1080693,Cs2Bi2Pd,-3.334246776,-0.4039138132,0.0,-0.0582475893,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:Bi-Cs-Pd,10.0,A2B2C_oC20_63_g_2c_a:Bi-Cs-Pd +mp-635413,Cs3Bi,-1.92781712,-0.2961430584,0.0,-0.080521578,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Cs,4.0,AB3_cF16_225_a_bc:Bi-Cs +mp-1205121,CsBi,-2.7561395119,-0.3881937608,0.0,-0.0446988638,GGA,P2_1/c,AB_mP32_14_4e_4e:Bi-Cs,32.0,AB_mP32_14_4e_4e:Bi-Cs +mp-1188632,Tm5In3,-4.1760980006,-0.3468194623,0.014081446,0.014081446,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:In-Tm,16.0,A3B5_hP16_193_g_dg:In-Tm +mp-21205,Tm2InPd2,-5.298549349,-0.8859257097000001,0.0,-0.0196111103,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Tm,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Tm +mp-1207945,TmIn2Pd,-4.4252493947,-0.6354782214,0.0,-0.0085625106,GGA,I4mm,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Tm,40.0,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Tm +mp-1078235,TmInPd,-4.9466848811,-0.81088456,0.0,-0.0362688451,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Tm,9.0,ABC_hP9_189_f_bc_g:In-Pd-Tm +mp-1187834,Tm3In,-4.2865811375,-0.2417836375,0.0107907846,0.0107907846,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Tm,8.0,AB3_hP8_194_c_h:In-Tm +mp-1187699,Tm3In,-4.2945506125,-0.2497531125,0.0028213096,0.0028213096,GGA,Pm-3m,AB3_cP4_221_a_c:In-Tm,4.0,AB3_cP4_221_a_c:In-Tm +mp-21486,Tm2In,-4.2378840883,-0.3367658961,0.0,-0.0221387195,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Tm,6.0,"Invalid WP multiplicities - AB2_hP6_194_c_2ad:In-Tm, expected Tm3In to be Tm2In" +mp-20848,TmIn,-4.01754719,-0.4037876133,0.0,-0.0104229673,GGA,Pm-3m,AB_cP2_221_a_b:In-Tm,2.0,AB_cP2_221_a_b:In-Tm +mp-21177,TmIn3,-3.5411605275,-0.3584388742,0.0,-0.1565450675,GGA,Pm-3m,A3B_cP4_221_c_a:In-Tm,4.0,A3B_cP4_221_c_a:In-Tm +mp-567348,TmInPd2,-5.2465657175,-0.8497450242,0.0,-0.0497740035,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:In-Pd-Tm +mp-1191268,Tm5(In2Pd)2,-4.6633350295,-0.6864554244000001,0.0,-0.0630812562,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Tm,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Tm +mp-1208206,Tm5In4,-4.1106717106,-0.4011259287,0.0,-0.0196788878,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:In-Tm,18.0,A4B5_hP18_193_bg_dg:In-Tm +mp-1103307,CaPtPb,-4.6161466,-0.6863531767000001,0.0,-0.0367968692,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pb-Pt,12.0,ABC_oP12_62_c_c_c:Ca-Pb-Pt +mp-11266,BaCd2,-1.58925826,-0.3343401067,0.0,-0.0548518907,GGA,Imma,AB2_oI12_74_e_h:Ba-Cd,6.0,AB2_oI12_74_e_h:Ba-Cd +mp-1186127,NaCd3,-1.0882942975,-0.0654956541,0.01050088,0.0021597472,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Na,4.0,A3B_tI8_139_ad_b:Cd-Na +mp-973166,NaCd3,-1.0828695663,-0.0600709229,0.0159256112,0.0075844784,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Na,8.0,A3B_hP8_194_h_c:Cd-Na +mp-865077,NaCd3,-1.0987951775,-0.0759965341,0.0,-0.0083411328,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Na,4.0,A3B_cF16_225_ac_b:Cd-Na +mp-527,BaCd,-1.74870439,-0.32777204,0.0,-0.0417085483,GGA,Pm-3m,AB_cP2_221_a_b:Ba-Cd,2.0,AB_cP2_221_a_b:Ba-Cd +mp-31216,BaCd11,-1.1660052963,-0.1601084379,0.0,-0.0532167452,GGA,I4_1/amd,AB11_tI48_141_b_aci:Ba-Cd,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_ac2i:Ba-Cd, expected BaCd19 to be BaCd11" +mp-1203422,Na2Cd11,-1.0532731359,-0.0689009861,0.0034409801,0.0034409801,GGA,Pm-3,A11B2_cP39_200_befik_g:Cd-Na,39.0,A11B2_cP39_200_befik_g:Cd-Na +mp-1186031,Na3Cd,-1.253522755,-0.0309063449,0.0073096825,-0.0055741669,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Na,4.0,AB3_tI8_139_a_bd:Cd-Na +mp-983509,Na3Cd,-1.2608324375,-0.0382160274,0.0,-0.0128838494,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Na,8.0,AB3_hP8_194_c_h:Cd-Na +mp-1186024,Na3Cd,-1.2559209825,-0.0333045724,0.004911455,-0.0079723944,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Na,4.0,AB3_cF16_225_a_bc:Cd-Na +mp-1228287,Ba7Cd31,-1.342666035,-0.2362868997,0.0,-0.0058744551,GGA,P-6m2,A7B31_hP38_187_acik_ghkl3n:Ba-Cd,38.0,"Invalid WP multiplicities - A7B31_hP38_187_acik_2ghkl4n:Ba-Cd, expected Ba7Cd39 to be Ba7Cd31" +mp-8093,Ba2Cd,-1.8247334233,-0.2377868767,0.0,-0.0192721833,GGA,I4/mmm,A2B_tI6_139_e_a:Ba-Cd,3.0,A2B_tI6_139_e_a:Ba-Cd +mp-1097453,Ba2NaCd,-0.5289921350000001,0.9918490984,1.1701892559,1.1701892559,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Na,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Na +mp-680434,Na26Cd141,-1.0583168029,-0.0732083371,0.0,-0.0041713884,GGA,P6/mmm,A141B26_hP167_191_aci2j2klm4opqr_elmn:Cd-Na,167.0,"Invalid WP multiplicities - A141B26_hP167_191_a2c5i11j12k6l6m45o11p10q21r_2e5l4m7n:Cd-Na, expected Na142Cd1541 to be Na26Cd141" +mp-1189540,Eu2Se3,-7.957922267,-1.7575746604,0.157942732,0.157942732,GGA,Fddd,A2B3_oF80_70_2e_fh:Eu-Se,20.0,A2B3_oF80_70_2e_fh:Eu-Se +mp-1095519,Eu2In,-8.1048531375,-0.3496240275,0.0,-0.0232308578,GGA,Pnma,A2B_oP12_62_2c_c:Eu-In,12.0,A2B_oP12_62_2c_c:Eu-In +mp-1184515,Eu3In,-8.6312888225,-0.25061654,0.023290925,0.023290925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-In,8.0,A3B_hP8_194_h_c:Eu-In +mp-1192827,Eu8In3,-8.5089050155,-0.2988081436,0.0,-0.0127521211,GGA,P-1,A8B3_aP22_2_8i_be2i:Eu-In,22.0,A8B3_aP22_2_8i_be2i:Eu-In +mp-638253,EuIn4,-4.520454573,-0.267707229,0.031358409,0.031358409,GGA,C2/m,AB4_mC20_12_i_4i:Eu-In,10.0,"Invalid WP multiplicities - AB4_mC20_12_i_7i:Eu-In, expected EuIn7 to be EuIn4" +mp-1104657,Eu(InSe2)2,-5.47143134,-1.2222863156,0.0015326512,0.0015326512,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Eu-In-Se,14.0,AB2C4_oC28_66_a_l_kl:Eu-In-Se +mp-1008928,EuSe,-8.861798965,-1.9853423262,0.293428945,-0.5206967758000001,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Se,2.0,AB_cP2_221_a_b:Eu-Se +mp-21009,EuSe,-9.15522791,-2.2787712712,0.0,-0.8141257208,GGA,Fm-3m,AB_cF8_225_a_b:Eu-Se,2.0,AB_cF8_225_a_b:Eu-Se +mp-636316,EuIn2,-5.7315672333,-0.4781108133,0.0,-0.1091203698,GGA,P6_3/mmc,AB2_hP6_194_b_f:Eu-In,6.0,AB2_hP6_194_b_f:Eu-In +mp-1184466,EuIn3,-4.9899273662,-0.3619141187,0.0119179287,-0.0033310088,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-In,8.0,AB3_hP8_194_c_h:Eu-In +mp-1184378,EuIn3,-5.001845295,-0.3738320475,0.0,-0.0152489375,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-In,4.0,AB3_cP4_221_a_c:Eu-In +mp-1232230,EuSe2,-7.4229563917,-1.6733481399,0.0,-0.1541672924,GGA,P4/nmm,AB2_tP6_129_c_ac:Eu-Se,6.0,AB2_tP6_129_c_ac:Eu-Se +mp-1206272,TaSe6,-4.1247642657,0.5656995194000001,1.1413046779,1.1413046779,GGA,Cmmm,A6B_oC14_65_kp_a:Se-Ta,7.0,A6B_oC14_65_kp_a:Se-Ta +mp-8732,Ta2Se,-9.6736437883,-0.6031548758,0.0,-0.036586025,GGA,P4/nmm,AB2_tP6_129_c_2c:Se-Ta,6.0,AB2_tP6_129_c_2c:Se-Ta +mp-9983,Ta2Se3,-7.855300761,-1.0146428224,0.012498314,0.012498314,GGA,P2_1/m,A3B2_mP10_11_3e_2e:Se-Ta,10.0,A3B2_mP10_11_3e_2e:Se-Ta +mp-29652,TaSe3,-6.5936870431,-1.0073090274,0.0,-0.1574557512,GGA,P2_1/m,A3B_mP16_11_6e_2e:Se-Ta,16.0,A3B_mP16_11_6e_2e:Se-Ta +mp-1191680,TaSe3,-6.5812300583,-0.9948520426,0.0124569848,-0.1449987664,GGA,P2_1/m,A3B_mP24_11_9e_3e:Se-Ta,24.0,A3B_mP24_11_9e_3e:Se-Ta +mp-542621,TaSe2,-6.7964986653,-0.5132984702,0.6198392313000001,0.4980848877,GGA,P-1,A2B_aP15_2_5i_a2i:Se-Ta,15.0,A2B_aP15_2_5i_a2i:Se-Ta +mp-542495,TaSe2,-7.4076903356,-1.1244901405,0.008647561,-0.1131067826,GGA,P-1,A2B_aP39_2_13i_a6i:Se-Ta,39.0,A2B_aP39_2_13i_a6i:Se-Ta +mp-500,TaSe2,-7.408183595,-1.1249833999,0.0081543017,-0.1136000419,GGA,P6_3/mmc,A2B_hP6_194_f_b:Se-Ta,6.0,A2B_hP6_194_f_b:Se-Ta +mp-8954,TaSe2,-7.4163378967,-1.1331377016,0.0,-0.1217543436,GGA,Fmm2,A2B_oF12_42_c_a:Se-Ta,3.0,A2B_oF12_42_c_a:Se-Ta +mp-13870,TaSe2,-7.4035424067,-1.1203422116,0.01279549,-0.1089588536,GGA,R3m,A2B_hR18_160_4a_2a:Se-Ta,6.0,A2B_hR18_160_4a_2a:Se-Ta +mp-7834,TaSe2,-7.41202031,-1.1288201149,0.0043175867,-0.1174367569,GGA,R3m,A2B_hR9_160_2a_a:Se-Ta,3.0,A2B_hR9_160_2a_a:Se-Ta +mp-11324,TaSe2,-7.38561495,-1.1024147549,0.0307229467,-0.0910313969,GGA,P-3m1,A2B_hP3_164_d_a:Se-Ta,3.0,A2B_hP3_164_d_a:Se-Ta +mp-567724,TaSe2,-7.3894547833,-1.1062545882,0.0268831133,-0.0948712303,GGA,R-3m,A2B_hR9_166_c_a:Se-Ta,3.0,A2B_hR9_166_c_a:Se-Ta +mp-680184,TaSe2,-7.4070748117,-1.1238746166,0.009263085,-0.1124912586,GGA,P6_3/m,A2B_hP156_176_2f8i_ab4h2i:Se-Ta,156.0,"Invalid WP multiplicities - A2B_hP156_176_7f83i_2a2b23h20i:Se-Ta, expected Ta193Se512 to be TaSe2" +mp-7926,TaSe2,-7.4095211742,-1.1263209791,0.0068167225,-0.1149376211,GGA,P6_3mc,A2B_hP12_186_2a2b_2b:Se-Ta,12.0,A2B_hP12_186_2a2b_2b:Se-Ta +mp-637232,TaSe2,-7.4079143925,-1.1247141974,0.0084235042,-0.1133308394,GGA,P-6m2,A2B_hP12_187_gh2i_adg:Se-Ta,12.0,"Invalid WP multiplicities - A2B_hP12_187_2gh3i_adg:Se-Ta, expected TaSe3 to be TaSe2" +mp-1019276,TaSe2,-7.409517525,-1.1263173299,0.0068203717,-0.1149339719,GGA,P6_3/mmc,A2B_hP6_194_f_c:Se-Ta,6.0,A2B_hP6_194_f_c:Se-Ta +mp-501,TaSe2,-7.3984467475,-1.1152465524,0.0178911492,-0.1038631944,GGA,P6_3/mmc,A2B_hP12_194_2f_ab:Se-Ta,12.0,A2B_hP12_194_2f_ab:Se-Ta +mp-1207005,LiTaSe2,-6.2791031825,-1.0894723195,0.0841658869,0.0841658869,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-Se-Ta,4.0,AB2C_hP4_164_a_d_b:Li-Se-Ta +mp-9472,LiAg2Ge,-3.2130132,-0.1637475179,0.0,-0.018305174,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Ag-Ge-Li +mp-1096577,Li2AgGe,-1.69473966,1.1236177379,1.3894196779,1.3894196779,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Ge-Li,4.0,ABC2_oI8_71_a_b_e:Ag-Ge-Li +mp-1184969,Li2AgGe,-3.0627821325,-0.2444247346,0.0213772054,0.0213772054,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ge-Li,4.0,ABC2_cF16_225_a_b_c:Ag-Ge-Li +mp-29166,Li3Ag2Ge3,-3.3077378713,-0.1501173498,0.0721567844,0.0721567844,GGA,Pn-3m,A2B3C3_cP16_224_b_d_ac:Ag-Ge-Li,16.0,A2B3C3_cP16_224_b_d_ac:Ag-Ge-Li +mp-1222558,Li3Ag3Ge2,-3.096230415,-0.162418875,0.052355854,0.052355854,GGA,Pmmm,A3B2C3_oP8_47_abg_j_hk:Ag-Ge-Li,8.0,A3B2C3_oP8_47_abg_j_hk:Ag-Ge-Li +mp-1206714,Al2Sn,-3.5176476067,0.3159268983,0.3159268983,0.3159268983,GGA,Fm-3m,A2B_cF12_225_c_a:Al-Sn,3.0,A2B_cF12_225_c_a:Al-Sn +mp-1228524,Al2Te3,-4.062331094,-0.678117226,0.0263805573,-0.0006952831,GGA,Cc,A2B3_mC20_9_2a_3a:Al-Te,10.0,A2B3_mC20_9_4a_6a:Al-Te +mp-29502,Al2Te3,-4.0887116512,-0.7044977832,0.0,-0.0270758403,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Al-Te,40.0,A2B3_mP40_14_4e_6e:Al-Te +mp-1247924,Al2Te3,-4.009048102,-0.624834234,0.0796635493,0.0525877089,GGA,R3,A2B3_hR30_146_ab_3ab:Al-Te,10.0,"Invalid WP multiplicities - A2B3_hR30_146_a2b_3a3b:Al-Te, expected Al7Te12 to be Al2Te3" +mp-1183200,Al3Sn,-3.648347375,0.1632274612,0.1632274612,0.1632274612,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Sn,4.0,A3B_tI8_139_ad_b:Al-Sn +mp-1183131,Al3Sn,-3.65322097,0.1583538663,0.1583538663,0.1583538663,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Sn,4.0,A3B_cP4_221_c_a:Al-Sn +mp-1187080,Sn3Te,-3.8344282525,-0.0414228879,0.20715677,0.20715677,GGA,I4/mmm,A3B_tI8_139_ad_b:Sn-Te,4.0,A3B_tI8_139_ad_b:Sn-Te +mp-1187067,Sn3Te,-3.8062918075,-0.0132864429,0.235293215,0.235293215,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Te,4.0,A3B_cP4_221_c_a:Sn-Te +mp-16364,SnTe,-3.821099755,-0.2446608808,0.252498435,-0.1549151133,GGA,F-43m,AB_cF8_216_a_c:Sn-Te,2.0,AB_cF8_216_a_c:Sn-Te +mp-1481,SnTe,-3.846007465,-0.2695685908,0.227590725,-0.1798228233,GGA,Pm-3m,AB_cP2_221_a_b:Sn-Te,2.0,AB_cP2_221_a_b:Sn-Te +mp-1883,SnTe,-4.07359819,-0.4971593158,0.0,-0.4074135483,GGA,Fm-3m,AB_cF8_225_a_b:Sn-Te,2.0,AB_cF8_225_a_b:Sn-Te +mp-7760,AlSn,-3.670483525,0.2070903175,0.2070903175,0.2070903175,GGA,P-6m2,AB_hP2_187_a_d:Al-Sn,2.0,AB_hP2_187_a_d:Al-Sn +mp-14506,Al7Te10,-4.0739899047,-0.6826905080000001,0.0079935932,0.0079935932,GGA,R32,A7B10_hR102_155_c2f_cde2f:Al-Te,34.0,A7B10_hR102_155_c2f_cde2f:Al-Te +mp-530331,Al6SnTe10,-4.1014577604,-0.6946291858,0.0,-0.0145241634,GGA,P3_121,A6BC10_hP102_152_6c_c_ab9c:Al-Sn-Te,102.0,"Invalid WP multiplicities - A6BC10_hP102_152_31c_c_2a3b46c:Al-Sn-Te, expected Al62Sn2Te97 to be Al6SnTe10" +mp-9254,Al2Te5,-3.9416246143,-0.6262415962,0.0,-0.1230288939,GGA,C2/m,A2B5_mC14_12_i_a2i:Al-Te,7.0,A2B5_mC14_12_i_a2i:Al-Te +mp-978885,SnTe3,-3.494491035,-0.1346186512,0.1139610067,0.1139610067,GGA,Fm-3m,AB3_cF16_225_a_bc:Sn-Te,4.0,AB3_cF16_225_a_bc:Sn-Te +mp-1187341,TbHf,-7.12158745,0.174190115,0.174190115,0.174190115,GGA,P-6m2,AB_hP2_187_a_d:Hf-Tb,2.0,AB_hP2_187_a_d:Hf-Tb +mp-1217682,Tb2HfAl9,-4.814994,-0.403652025,0.0184662867,0.0184662867,GGA,P4/mmm,A9BC2_tP12_123_aegi_c_h:Al-Hf-Tb,12.0,"Invalid WP multiplicities - A9BC2_tP12_123_a2eg3i_c_h:Al-Hf-Tb, expected Tb2HfAl19 to be Tb2HfAl9" +mp-1025223,Hf4Al3,-7.6889175343,-0.3938484471,0.0,-0.0429562782,GGA,P6/mmm,A3B4_hP7_191_f_de:Al-Hf,7.0,A3B4_hP7_191_f_de:Al-Hf +mp-846,Hf2Al3,-6.656737219,-0.426516109,0.0019004582,0.0019004582,GGA,Fdd2,A3B2_oF40_43_ab_b:Al-Hf,10.0,A3B2_oF40_43_ab_b:Al-Hf +mp-2614,HfAl3,-5.6869951975,-0.3885160675,0.0067824825,-0.0571212738,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Hf,4.0,A3B_tI8_139_ad_b:Al-Hf +mp-568718,HfAl3,-5.69377768,-0.39529855,0.0,-0.0639037563,GGA,I4/mmm,A3B_tI16_139_cde_e:Al-Hf,8.0,"Invalid WP multiplicities - A3B_tI16_139_2cd2e_e:Al-Hf, expected HfAl5 to be HfAl3" +mp-1007730,HfAl3,-5.6705538725,-0.3720747425,0.0232238075,-0.0406799488,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Hf,4.0,A3B_cP4_221_c_a:Al-Hf +mp-1184670,Hf3Al,-8.625287545,-0.221001815,0.0087431125,0.0087431125,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Hf,8.0,AB3_hP8_194_c_h:Al-Hf +mp-1105883,Tb4HfAl15,-4.629062512,-0.395147968,0.032334296,0.032334296,GGA,R-3m,A15BC4_hR60_166_d2h_b_2c:Al-Hf-Tb,20.0,A15BC4_hR60_166_d2h_b_2c:Al-Hf-Tb +mp-12772,Hf2Al,-8.1512054983,-0.2645542017,0.0417723683,0.0417723683,GGA,I4/mcm,AB2_tI12_140_a_h:Al-Hf,6.0,AB2_tI12_140_a_h:Al-Hf +mp-2361,Hf5Al3,-7.9195035156,-0.2916694356,0.0529479556,0.0529479556,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Al-Hf,16.0,A3B5_hP16_193_g_dg:Al-Hf +mp-12657,HfAl2,-6.2579732883,-0.441859725,0.0,-0.0292180867,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Al-Hf,12.0,"Invalid WP multiplicities - A2B_hP12_194_a2h_f:Al-Hf, expected Hf2Al7 to be HfAl2" +mp-8462,Hf3Al2,-7.8031067765,-0.3305630265,0.0370288575,0.0370288575,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Hf,20.0,A2B3_tP20_136_j_dfg:Al-Hf +mp-249,HfAl,-7.253097455,-0.401715025,0.0065368055,0.0065368055,GGA,Cmcm,AB_oC8_63_c_c:Al-Hf,4.0,AB_oC8_63_c_c:Al-Hf +mp-864637,NdAl,-4.6494656800000005,-0.3926040487,0.0,-0.0161584044,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Nd,16.0,"Invalid WP multiplicities - AB_oP16_57_2c2d_7d:Al-Nd, expected Nd7Al4 to be NdAl" +mp-12793,NdAl,-4.607117685,-0.3502560537,0.042347995,0.0261895906,GGA,Pm-3m,AB_cP2_221_a_b:Al-Nd,2.0,AB_cP2_221_a_b:Al-Nd +mp-16513,NdAl3,-4.4431167225,-0.4418979919,0.0,-0.027338544,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Nd,8.0,A3B_hP8_194_h_c:Al-Nd +mp-569630,NdOs2,-9.176687595,-0.1023934975,0.0,-0.0558394853,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Nd-Os,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:Nd-Os, expected NdOs4 to be NdOs2" +mp-400,NdAl2,-4.5883605567,-0.5019275258,0.0,-0.0764608483,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Nd,6.0,A2B_cF24_227_c_b:Al-Nd +mp-1209871,Nd(Al5Os)2,-5.437002855,-0.4617228094,0.0,-0.0355769788,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Nd-Os,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Nd-Os +mp-1188656,Nd3Os,-6.4876989594,-0.1047465275,0.0,-0.0663489659,GGA,Pnma,A3B_oP16_62_cd_c:Nd-Os,16.0,A3B_oP16_62_cd_c:Nd-Os +mp-1080098,Nd3Al,-4.6878749437,-0.1753704119,0.0209316125,0.0209316125,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Nd,8.0,AB3_hP8_194_c_h:Al-Nd +mp-976358,Nd3Al,-4.6769057625,-0.1644012306,0.0319007938,0.0319007938,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Nd,4.0,AB3_cP4_221_a_c:Al-Nd +mp-1101848,Nd2Al,-4.6698893275,-0.2425990958,0.0191369367,0.0191369367,GGA,Pnma,AB2_oP12_62_c_2c:Al-Nd,12.0,AB2_oP12_62_c_2c:Al-Nd +mp-568171,Nd2Al,-4.06005763,0.3672326017,0.6289686342,0.6289686342,GGA,Fd-3m,AB2_cF24_227_a_d:Al-Nd,6.0,AB2_cF24_227_a_d:Al-Nd +mp-1209972,Nd3(Al3Os)4,-6.0516390184,-0.5694904933,0.0,-0.0523606695,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Nd-Os,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Nd-Os +mp-1103952,NdAl4,-4.2355064807,-0.2854163302,0.0681020633,0.0681020633,GGA,Imm2,A4B_oI30_44_2a2b4c_ac:Al-Nd,15.0,A4B_oI30_44_2a2b4c_ac:Al-Nd +mp-1834,NdAl4,-4.253355586,-0.3032654355,0.050252958,0.050252958,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Nd,5.0,"Invalid WP multiplicities - A4B_tI10_139_d2e_a:Al-Nd, expected NdAl6 to be NdAl4" +mp-1209964,Nd4Al,-4.102461777,0.461171335,0.6182129545,0.6182129545,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Nd,10.0,AB4_cF40_227_a_e:Al-Nd +mp-1104100,Nd3Al11,-4.3418143021,-0.3771159859,0.0016537214,0.0016537214,GGA,Immm,A11B3_oI28_71_bf2n_ag:Al-Nd,14.0,A11B3_oI28_71_bf2n_ag:Al-Nd +mp-1097091,HfZnRh2,-4.626529125,1.85985797,2.7079910825,2.5808238408,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Rh-Zn,4.0,AB2C_oI8_71_a_e_b:Hf-Rh-Zn +mp-1184580,HfZnRh2,-7.3345202075,-0.8481331125,0.0,-0.1271672417,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Hf-Rh-Zn +mp-1096292,Hf2ZnRh,-4.36618913,2.7684182550000003,3.2972375795,3.2972375795,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Rh-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Rh-Zn +mp-1228752,Al4Cu15,-4.1225404879,-0.0977824158,0.0617655758,0.0617655758,GGA,P4/mmm,A4B15_tP19_123_2h_ae2g2i:Al-Cu,19.0,"Invalid WP multiplicities - A4B15_tP19_123_3h_a2e3g7i:Al-Cu, expected Al2Cu13 to be Al4Cu15" +mp-12794,Al2Cu,-3.8870210033,-0.0235682267,0.1544980033,0.118717072,GGA,P4/mmm,A2B_tP3_123_e_a:Al-Cu,3.0,A2B_tP3_123_e_a:Al-Cu +mp-998,Al2Cu,-4.028987475,-0.1655346983,0.0125315317,-0.0232493997,GGA,I4/mcm,A2B_tI12_140_h_a:Al-Cu,6.0,A2B_tI12_140_h_a:Al-Cu +mp-985806,Al2Cu,-4.0415190067,-0.17806623,0.0,-0.0357809313,GGA,Fm-3m,A2B_cF12_225_c_a:Al-Cu,3.0,A2B_cF12_225_c_a:Al-Cu +mp-10886,Al3Cu2,-4.04534259,-0.158314424,0.0338964932,0.0338964932,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Cu,5.0,A3B2_hP5_164_ad_d:Al-Cu +mp-985825,Al3Cu,-3.9239673625,-0.0899838225,0.04356585,0.04356585,GGA,P4/mmm,A3B_tP4_123_ah_b:Al-Cu,4.0,A3B_tP4_123_ah_b:Al-Cu +mp-1183161,Al3Cu,-3.8712873775,-0.0373038375,0.096245835,0.096245835,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Cu,4.0,A3B_cP4_221_c_a:Al-Cu +mp-2500,AlCu,-4.135819198,-0.213427948,0.0,-0.0214214931,GGA,C2/m,AB_mC20_12_a2i_d2i:Al-Cu,10.0,AB_mC20_12_a2i_d2i:Al-Cu +mp-1022721,AlCu,-4.06175796,-0.13936671,0.074061238,0.0526397449,GGA,Pm-3m,AB_cP2_221_a_b:Al-Cu,2.0,AB_cP2_221_a_b:Al-Cu +mp-31434,Np3Al,-10.319241395,0.3279873234,0.381055172,0.381055172,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Np,4.0,AB3_cP4_221_a_c:Al-Np +mp-16520,NpAl4,-5.689574536,-0.1035579358,0.0,-0.018649378,GGA,Imma,A4B_oI20_74_aeh_e:Al-Np,10.0,A4B_oI20_74_aeh_e:Al-Np +mp-2573,NpAl3,-6.151277005,-0.1051502122,0.0126413463,0.0126413463,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Np,4.0,A3B_cP4_221_c_a:Al-Np +mp-977216,NpAl3,-6.1454930988,-0.0993663059,0.0184252525,0.0184252525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Np,8.0,A3B_hP8_194_h_c:Al-Np +mp-12802,AlCu3,-4.2002622,-0.18946324,0.0,-0.0203890345,GGA,Pmmn,AB3_oP8_59_a_be:Al-Cu,8.0,AB3_oP8_59_a_be:Al-Cu +mp-1183216,AlCu3,-4.1934905225,-0.1826915625,0.0067716775,-0.013617357,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Cu,8.0,AB3_hP8_194_c_h:Al-Cu +mp-1008555,AlCu3,-4.1922928125,-0.1814938525,0.0079693875,-0.012419647,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Cu,4.0,AB3_cP4_221_a_c:Al-Cu +mp-12777,AlCu3,-4.175352865,-0.164553905,0.024909335,0.0045203005,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Cu,4.0,AB3_cF16_225_a_bc:Al-Cu +mp-593,Al4Cu9,-4.1984885106,-0.2080913298,0.0,-0.0130977726,GGA,P-43m,A4B9_cP52_215_ei_3efgi:Al-Cu,52.0,"Invalid WP multiplicities - A4B9_cP52_215_ei_4e2f3gi:Al-Cu, expected Al8Cu29 to be Al4Cu9" +mp-1186160,Np3Cu,-10.41991132,0.3157251084,0.3157251084,0.3157251084,GGA,Fm-3m,AB3_cF16_225_a_bc:Cu-Np,4.0,AB3_cF16_225_a_bc:Cu-Np +mp-1182885,AlCu4,-4.1437394265,-0.1152589245,0.0363116675,0.0363116675,GGA,P2_13,AB4_cP20_198_a_ab:Al-Cu,20.0,AB4_cP20_198_a_ab:Al-Cu +mp-5267,Np(Al2Cu)4,-4.7854894054,-0.2232422514,0.0,-0.0427305622,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Np,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Np +mp-20660,NpAl2,-6.9544913767,-0.1415142629,0.0,-0.0480474076,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Np,6.0,A2B_cF24_227_c_b:Al-Np +mp-12817,Tb(Zn10Fe)2,-2.1677016778,-0.13425469,0.0,-0.0104645769,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Fe-Tb-Zn,46.0,"Invalid WP multiplicities - A2BC20_cF184_227_d_a_2cfg:Fe-Tb-Zn, expected Tb(Zn11Fe)2 to be Tb(Zn10Fe)2" +mp-2584,TbFe3,-7.5655043758,-0.0543969433,0.0,-0.0113447371,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Tb,12.0,A3B_hR36_166_ach_bc:Fe-Tb +mp-1179239,TbFe2,-5.6060191617,1.585450345,1.6428532867,1.6338031835,GGA,C2/m,A2B_mC12_12_ade_i:Fe-Tb,6.0,A2B_mC12_12_ade_i:Fe-Tb +mp-1102431,TbFe2,-7.2283016342,-0.0368321275,0.0205708142,0.011520711,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Tb,12.0,A2B_hP12_194_ah_f:Fe-Tb +mp-589,TbFe2,-7.2488724483,-0.0574029417,0.0,-0.0090501031,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Tb,6.0,A2B_cF24_227_c_b:Fe-Tb +mp-1193316,Tb6Fe23,-7.708434171,-0.0319967769,0.0130213831,0.0130213831,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Tb,29.0,A23B6_cF116_225_ad2f_e:Fe-Tb +mp-571149,Tb2Fe17,-8.0693964605,-0.00312842,0.0197755561,0.0197755561,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Tb,19.0,A17B2_hR57_166_cdfh_c:Fe-Tb +mp-1194635,Tb2Fe17,-8.0704427908,-0.0041747503,0.0187292259,0.0187292259,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Tb,38.0,A17B2_hP38_194_fgjk_bc:Fe-Tb +mp-1228933,AlCo4,-6.465239706,-0.029470304,0.215120307,0.215120307,GGA,R-3m,AB4_hR15_166_a_2c:Al-Co,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Al-Co, expected AlCo6 to be AlCo4" +mp-284,AlCo,-6.03842334,-0.6114765275,0.0,-0.2682790769,GGA,Pm-3m,AB_cP2_221_a_b:Al-Co,2.0,AB_cP2_221_a_b:Al-Co +mp-1215090,Al19Co6,-4.9428305696,-0.390196668,0.0139399606,0.0139399606,GGA,C2/m,A19B6_mC100_12_g8i5j_4ij:Al-Co,50.0,A19B6_mC100_12_g8i5j_4ij:Al-Co +mp-1080667,AlCo3,-6.4735018512,-0.2058695475,0.0998687162,0.0998687162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Co,8.0,AB3_hP8_194_c_h:Al-Co +mp-1018101,AlCo3,-6.4505684325,-0.1829361287,0.122802135,0.122802135,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Co,4.0,AB3_cP4_221_a_c:Al-Co +mp-1198336,Al13Co4,-4.9228542183,-0.3860449848,0.0122476266,0.0122476266,GGA,Pmn2_1,A13B4_oP102_31_17a11b_8a2b:Al-Co,102.0,A13B4_oP102_31_17a11b_8a2b:Al-Co +mp-30751,Al13Co4,-4.9243393097,-0.3875300762,0.0107625352,0.0107625352,GGA,Pnnm,A13B4_oP102_58_af8g5h_4gh:Al-Co,102.0,"Invalid WP multiplicities - A13B4_oP102_58_af15g10h_8gh:Al-Co, expected Al73Co20 to be Al13Co4" +mp-16488,Al9Co2,-4.6888667845,-0.3318833245,0.0,-0.0324282657,GGA,P2_1/c,A9B2_mP22_14_a4e_e:Al-Co,22.0,A9B2_mP22_14_a4e_e:Al-Co +mp-1228607,Al3Co,-4.9920563581,-0.4057950369,0.0107601284,0.0107601284,GGA,Cm,A3B_mC32_8_12a_4a:Al-Co,,A3B_mC32_8_12a_4a:Al-Co +mp-196,Al5Co2,-5.1672663304,-0.4609070818,0.0,-0.0257289748,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Al-Co,28.0,A5B2_hP28_194_ahk_ch:Al-Co +mp-1199900,Yb2Co17,-6.5464207505,-0.0242829045,0.0,-0.0047772329,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Yb,,A17B2_hP38_194_fgjk_bc:Co-Yb +mp-18367,Yb(Al4Co)2,-4.5871259516,-0.4306849961,0.0,-0.0340388523,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Co-Yb,,"Invalid WP multiplicities - A8B2C_oP44_55_2a2d2g5h_2g_g:Al-Co-Yb, expected YbAl9Co2 to be Yb(Al4Co)2" +mp-1105958,Yb3Co,-2.88090353,0.0508821288,0.0740451138,0.0740451138,GGA,Pnma,AB3_oP16_62_c_cd:Co-Yb,,AB3_oP16_62_c_cd:Co-Yb +mp-281,YbCo2,-5.31384925,-0.06176796,0.0,-0.0263454752,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Yb,,A2B_cF24_227_c_b:Co-Yb +mp-1207631,Yb4Co,-2.345337075,0.308013108,0.326543496,0.326543496,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Yb,,AB4_cF40_227_a_e:Co-Yb +mp-1095601,YbCo3,-5.7559907117,-0.0398502954,0.008221202,0.008221202,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Yb,,A3B_hR36_166_ach_bc:Co-Yb +mp-1215785,YbAlCo,-4.318055885,-0.1868885833,0.220762435,0.220762435,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Yb,,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Yb, expected Yb3(AlCo)2 to be YbAlCo" +mp-253,ScCo2,-7.203091435,-0.35338987,0.0,-0.1063020933,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Sc,6.0,A2B_cF24_227_c_b:Co-Sc +mp-1219393,ScAlCo,-6.2109771708,-0.4821895942,0.0103455275,0.0103455275,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Sc,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Sc, expected Sc3(AlCo)2 to be ScAlCo" +mp-862259,Sc3Al,-5.9546223,-0.2688765137,0.0,-0.0056658187,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Sc,8.0,AB3_hP8_194_c_h:Al-Sc +mp-978498,Sc3Al,-5.93330626,-0.2475604738,0.02131604,0.0156502213,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Sc,4.0,AB3_cP4_221_a_c:Al-Sc +mp-27162,Sc3Co,-6.7487414888,-0.2223102112,0.0,-0.0264691063,GGA,Pnma,AB3_oP32_62_2c_2c2d:Co-Sc,32.0,AB3_oP32_62_2c_2c2d:Co-Sc +mp-813,ScAl2,-5.0947623133,-0.486888725,0.0,-0.03468511,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Sc,6.0,A2B_cF24_227_c_b:Al-Sc +mp-2212,ScCo,-7.091025115,-0.370631665,0.0,-0.0633759933,GGA,Pm-3m,AB_cP2_221_a_b:Co-Sc,2.0,AB_cP2_221_a_b:Co-Sc +mp-862602,ScAlCo2,-6.5890985525,-0.5154284213,0.0,-0.024374325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Co-Sc +mp-1209129,Sc4Al,-5.2942776,0.52081285,0.735914061,0.735914061,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Sc,10.0,AB4_cF40_227_a_e:Al-Sc +mp-30562,Sc2Co,-6.8522068083,-0.2611214733,0.0106292225,0.0106292225,GGA,I4/mcm,AB2_tI12_140_a_h:Co-Sc,6.0,AB2_tI12_140_a_h:Co-Sc +mp-1209073,Sc4Co,-6.198552346,0.289086497,0.466934666,0.466934666,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Sc,10.0,AB4_cF40_227_a_e:Co-Sc +mp-999206,ScAl,-5.375143645,-0.3361211775,0.110627345,0.0827969817,GGA,Cmcm,AB_oC8_63_c_c:Al-Sc,4.0,AB_oC8_63_c_c:Al-Sc +mp-331,ScAl,-5.48577099,-0.4467485225,0.0,-0.0278303633,GGA,Pm-3m,AB_cP2_221_a_b:Al-Sc,2.0,AB_cP2_221_a_b:Al-Sc +mp-999204,ScAl3,-4.75404473,-0.3617455813,0.09318558,0.0034209625,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Sc,4.0,A3B_tI8_139_ad_b:Al-Sc +mp-2121,ScAl3,-4.8472303100000005,-0.4549311612,0.0,-0.0897646175,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Sc,4.0,A3B_cP4_221_c_a:Al-Sc +mp-11220,Sc2Al,-5.82111894,-0.3509475933,0.0,-0.02278041,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Al-Sc,6.0,AB2_hP6_194_c_ad:Al-Sc +mp-1219430,Sc2AlCo3,-6.7166798,-0.4274352292,0.0397276067,0.0397276067,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Co-Sc,6.0,AB3C2_hR18_166_a_d_c:Al-Co-Sc +mp-1209089,Sc2(Al3Co)3,-5.4007258321,-0.5650062561,0.0,-0.0429842236,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Sc,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Sc +mp-13379,DyZnRh,-5.147368345,-0.737088905,0.0,-0.0874578159,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Rh-Zn,12.0,ABC_oP12_62_c_c_c:Dy-Rh-Zn +mp-865257,DyZnRh2,-5.8059031275,-0.6571165800000001,0.0,-0.0051959956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Zn +mp-581987,Dy(Zn10Rh)2,-2.1800215493,-0.2439226459,0.0054723874,0.0054723874,GGA,Fd-3m,AB2C20_cF184_227_a_d_cfg:Dy-Rh-Zn,46.0,"Invalid WP multiplicities - AB2C20_cF184_227_a_d_4c7f10g:Dy-Rh-Zn, expected Dy(Zn85Rh)2 to be Dy(Zn10Rh)2" +mp-1184107,Dy2ZnRh,-5.0640685925,-0.6046623025,0.0217290588,0.0217290588,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Rh-Zn +mp-977435,ZrAlRh2,-7.7004071525,-0.9449341025,0.0,-0.0019375312,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Rh-Zr +mp-1482,Zr2Al3,-6.187818729,-0.521392979,0.0,-0.005287661,GGA,Fdd2,A3B2_oF40_43_ab_b:Al-Zr,10.0,A3B2_oF40_43_ab_b:Al-Zr +mp-395,ZrAl3,-5.43336371,-0.48725668,0.0,-0.0838897338,GGA,I4/mmm,A3B_tI16_139_cde_e:Al-Zr,8.0,A3B_tI16_139_cde_e:Al-Zr +mp-1065309,ZrAl3,-5.408416115,-0.462309085,0.024947595,-0.0589421388,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Zr,4.0,A3B_tI8_139_ad_b:Al-Zr +mp-569775,ZrAl3,-5.4104483875,-0.4643413575,0.0229153225,-0.0609744113,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Zr,4.0,A3B_cP4_221_c_a:Al-Zr +mp-1188018,Zr3Al,-7.6326966375,-0.2855272075,0.016783185,-0.017010889,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Zr,8.0,AB3_hP8_194_c_h:Al-Zr +mp-1471,Zr3Al,-7.6494798225,-0.3023103925,0.0,-0.033794074,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Zr,4.0,AB3_cP4_221_a_c:Al-Zr +mp-13470,Zr3Al2,-7.028779497,-0.401928787,0.0330600246,0.0330600246,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Zr,20.0,A2B3_tP20_136_j_dfg:Al-Zr +mp-12752,Zr4Al3,-6.9499080357,-0.4602608914,0.0,-0.0377387579,GGA,P6/mmm,A3B4_hP7_191_f_de:Al-Zr,7.0,A3B4_hP7_191_f_de:Al-Zr +mp-570774,Zr5Al4,-6.8318809694,-0.4184580283,0.0474632416,0.0474632416,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Al-Zr,18.0,"Invalid WP multiplicities - A4B5_hP18_193_2b3g_2d2g:Al-Zr, expected Zr10Al11 to be Zr5Al4" +mp-11233,ZrAl,-6.61724506,-0.47060683,0.0151257646,0.0151257646,GGA,Cmcm,AB_oC8_63_c_c:Al-Zr,4.0,AB_oC8_63_c_c:Al-Zr +mp-12773,Zr2Al,-7.2648365983,-0.317844235,0.0581763903,0.0581763903,GGA,I4/mcm,AB2_tI12_140_a_h:Al-Zr,6.0,AB2_tI12_140_a_h:Al-Zr +mp-2557,Zr2Al,-7.30506613,-0.3580737667,0.0179468587,0.0179468587,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Al-Zr,6.0,AB2_hP6_194_c_ad:Al-Zr +mp-16724,Zr5Al3,-7.1210771706,-0.3741733406,0.0387024011,0.0387024011,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Al-Zr,16.0,A3B5_tI32_140_ah_bk:Al-Zr +mp-2044,Zr5Al3,-7.101201525,-0.354297695,0.0585780468,0.0585780468,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Al-Zr,16.0,A3B5_hP16_193_g_dg:Al-Zr +mp-1215326,ZrAlRh,-7.3217373508,-0.7692092408000001,0.03417357,0.03417357,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Rh-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Rh-Zr, expected Zr3(AlRh)2 to be ZrAlRh" +mp-2772,ZrAl2,-5.8841066917,-0.5378225950000001,0.0,-0.0316013044,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Al-Zr,12.0,"Invalid WP multiplicities - A2B_hP12_194_a2h_f:Al-Zr, expected Zr2Al7 to be ZrAl2" +mp-1192673,Zr6Al16Rh7,-6.4409719831,-0.8283660469,0.0,-0.0329694533,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Zr +mp-1099077,Mg14GaNi,-1.95857127,-0.0078116823,0.0686955453,0.0686955453,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Ni, expected Mg18GaNi to be Mg14GaNi" +mp-1028338,Mg14GaNi,-1.9508087206,-4.9133000000000005e-05,0.0764580946,0.0764580946,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Ni, expected Mg26GaNi to be Mg14GaNi" +mp-1021728,Mg6GaNi,-2.31251621,-0.0112770847,0.1150567684,0.1150567684,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Ni, expected Mg12GaNi to be Mg6GaNi" +mp-1021777,Mg6GaNi,-2.3155422938,-0.0143031684,0.1120306847,0.1120306847,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Ni, expected Mg12GaNi to be Mg6GaNi" +mp-865092,MgGaNi2,-4.3831417325,-0.3359793744,0.0,-0.0293485493,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Ni +mp-1095939,NbTcMo2,-6.2456855825,4.2926254687,4.3573904500000005,4.3573904500000005,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Nb-Tc,4.0,A2BC_oI8_71_e_a_b:Mo-Nb-Tc +mp-1096275,NbTc2Mo,-6.32110958,4.09594868,4.1607136612,4.1607136612,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-Tc +mp-1096600,Nb2TcMo,-6.13450942,4.2177153638,4.3196301225,4.3196301225,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Tc +mp-1220327,NbMo,-10.54777713,-0.074299555,0.0,-0.074299555,GGA,Cmmm,AB_oC4_65_a_c:Mo-Nb,2.0,AB_oC4_65_a_c:Mo-Nb +mp-12659,Mn2Nb,-9.6180590092,-0.1429471345,0.0,-0.1429471345,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Nb,12.0,"Invalid WP multiplicities - A2B_hP12_194_a2h_f:Mn-Nb, expected Mn7Nb2 to be Mn2Nb" +mp-1095740,MnNb2Re,-6.3548975725,4.0973905668,4.2210403759,4.2210403759,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Nb-Re,4.0,AB2C_oI8_71_a_e_b:Mn-Nb-Re +mp-1185924,Mn3Re,-9.92282872,0.0598145453,0.0598145453,0.0598145453,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Re,4.0,A3B_cF16_225_ac_b:Mn-Re +mp-1097466,MnNbTc2,-6.25536082,3.7407887355,3.8267764016,3.8267764016,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Mn-Nb-Tc +mp-1097543,MnNb2Tc,-6.0170959675,3.9142201118,4.0444516872,4.0444516872,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Mn-Nb-Tc +mp-2333,NdPd3,-5.867924275,-0.7909760594,0.0,-0.3138515513,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Pd,4.0,AB3_cP4_221_a_c:Nd-Pd +mp-1533,Nd3Tl,-4.3779344925,-0.2111631315,0.0013892742,0.0013892742,GGA,Pm-3m,A3B_cP4_221_c_a:Nd-Tl,4.0,A3B_cP4_221_c_a:Nd-Tl +mp-1105755,Nd5Tl3,-4.1849119337,-0.3188286084,0.0,-0.0173794625,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Nd-Tl,16.0,A5B3_tI32_140_bk_ah:Nd-Tl +mp-569352,NdTl3,-3.2833699425,-0.3193507244,0.0,-0.0719494632,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Tl,4.0,AB3_cP4_221_a_c:Nd-Tl +mp-1106115,Nd7Pd3,-5.3849575585,-0.4932898127,0.0,-0.0039214735,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Nd-Pd,20.0,A7B3_hP20_186_b2c_c:Nd-Pd +mp-999336,NdPd,-5.78962852,-0.8156138987,0.0,-0.0831172009,GGA,Cmcm,AB_oC8_63_c_c:Nd-Pd,4.0,AB_oC8_63_c_c:Nd-Pd +mp-2816,Nd2Tl,-4.2338820383,-0.2675693678,0.0158338397,0.0158338397,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Nd-Tl,6.0,A2B_hP6_194_ac_d:Nd-Tl +mp-30799,NdTlPd,-4.7500304411,-0.6464729781,0.0,-0.0525307332,GGA,P-62m,ABC_hP9_189_f_ad_g:Nd-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Nd-Pd-Tl +mp-1189917,Nd3Tl5,-3.6358091456,-0.3711018918,0.0,-0.0155589494,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Nd-Tl,16.0,A3B5_oC32_63_ce_cfg:Nd-Tl +mp-976423,Nd3Pd,-5.002955535,-0.1318745081,0.2792003358,0.2792003358,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Pd,4.0,A3B_tI8_139_ad_b:Nd-Pd +mp-1104199,Nd3Pd4,-5.8213519479,-0.8179277282,0.0,-0.0093532121,GGA,R-3,A3B4_hR42_148_f_abf:Nd-Pd,14.0,A3B4_hR42_148_f_abf:Nd-Pd +mp-571405,NdTl,-3.95713045,-0.3917351604,0.0,-0.0467699103,GGA,Pm-3m,AB_cP2_221_a_b:Nd-Tl,2.0,AB_cP2_221_a_b:Nd-Tl +mp-1062510,NdPd2,-5.57533256,-0.5326955425000001,0.2708579623,0.2708579623,GGA,I4/mmm,AB2_tI6_139_a_d:Nd-Pd,3.0,AB2_tI6_139_a_d:Nd-Pd +mp-1220060,Pr3Tm3Mn23,-8.1319226114,0.0920972249,0.1101094503,0.1101094503,GGA,R3m,A23B3C3_hR87_160_5a6b_b_b:Mn-Pr-Tm,29.0,A23B3C3_hR87_160_5a6b_b_b:Mn-Pr-Tm +mp-1186741,Pr3Tm,-4.6766946037,0.0279435683,0.0279435683,0.0279435683,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Tm,8.0,A3B_hP8_194_h_c:Pr-Tm +mp-975795,PrTm3,-4.5158901125,0.0362128938,0.0362128938,0.0362128938,GGA,I4/mmm,AB3_tI8_139_a_bd:Pr-Tm,4.0,AB3_tI8_139_a_bd:Pr-Tm +mp-975651,PrTm3,-4.5356106538,0.0164923525,0.0164923525,0.0164923525,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-Tm,8.0,AB3_hP8_194_c_h:Pr-Tm +mp-11437,Er3Rh,-5.8149965519,-0.5481304769,0.0,-0.0083795185,GGA,Pnma,A3B_oP16_62_cd_c:Er-Rh,16.0,A3B_oP16_62_cd_c:Er-Rh +mp-865749,YbErRh2,-6.0157400375,-0.80675433,0.0,-0.03005828,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Yb,,AB2C_cF16_225_a_c_b:Er-Rh-Yb +mp-569915,Er5Rh3,-6.3741528675,-0.75771316,0.009829107,0.009829107,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Rh,16.0,"Invalid WP multiplicities - A5B3_hP16_193_2d3g_g:Er-Rh, expected Er13Rh3 to be Er5Rh3" +mp-30612,Er7Rh3,-6.054396678,-0.6477011500000001,0.0,-0.0131177301,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Er-Rh,20.0,"Invalid WP multiplicities - A7B3_hP20_186_b3c_c:Er-Rh, expected Er10Rh3 to be Er7Rh3" +mp-2381,ErRh,-6.912765505,-0.946752165,0.0,-0.1575023406,GGA,Pm-3m,AB_cP2_221_a_b:Er-Rh,2.0,AB_cP2_221_a_b:Er-Rh +mp-1212942,Er4Rh,-5.049009044,0.078027578,0.5165319595,0.5165319595,GGA,Fd-3m,A4B_cF40_227_e_a:Er-Rh,10.0,A4B_cF40_227_e_a:Er-Rh +mp-1762,ErRh2,-7.190962205,-0.7588506883,0.0,-0.1276825783,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Rh,6.0,AB2_cF24_227_a_d:Er-Rh +mp-1198715,Er3Rh2,-6.49384374,-0.807489306,0.0,-0.0102626485,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Er-Rh,70.0,A3B2_tI140_140_bgh2m_acfh2l:Er-Rh +mp-1805,ErRh5,-7.1897219817,-0.2915122883,0.0879130558,0.0879130558,GGA,P6/mmm,AB5_hP6_191_a_cg:Er-Rh,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Er-Rh, expected ErRh8 to be ErRh5" +mp-1096220,NaCa2Rh,-1.93865909,1.2358491409,1.4533658598,1.4533658598,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Na-Rh,4.0,A2BC_oI8_71_e_a_b:Ca-Na-Rh +mp-1186124,NaCa2Rh,-3.3027779225,-0.1282696916,0.0892470273,0.0892470273,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Na-Rh,4.0,A2BC_cF16_225_c_a_b:Ca-Na-Rh +mp-1186042,Na3Ca,-1.4236372788,0.0696566613,0.0696566613,0.0696566613,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Na,8.0,AB3_hP8_194_c_h:Ca-Na +mp-1186032,Na3Ca,-1.404594745,0.0886991951,0.0886991951,0.0886991951,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Na,4.0,AB3_cP4_221_a_c:Ca-Na +mp-977062,Na3Ca,-1.407984385,0.0853095551,0.0853095551,0.0853095551,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Na,4.0,AB3_cF16_225_a_bc:Ca-Na +mp-1186132,NaCa3,-1.76363442,0.0711968134,0.0711968134,0.0711968134,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Na,4.0,A3B_tI8_139_ad_b:Ca-Na +mp-1186129,NaCa3,-1.747445705,0.0873855284,0.0873855284,0.0873855284,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Na,4.0,A3B_cF16_225_ac_b:Ca-Na +mp-1190353,Na3Rh,-2.4595821181,0.3733888195,0.3733888195,0.3733888195,GGA,Pnma,A3B_oP16_62_3c_c:Na-Rh,16.0,A3B_oP16_62_3c_c:Na-Rh +mp-1186072,Na3Rh,-2.4761775175,0.3567934201,0.3567934201,0.3567934201,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Rh,4.0,A3B_tI8_139_ad_b:Na-Rh +mp-982981,Na3Rh,-2.4610780987,0.3718928388,0.3718928388,0.3718928388,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Rh,8.0,A3B_hP8_194_h_c:Na-Rh +mp-9435,La3ZrSb5,-6.0731205456,-1.1841507517,0.0,-0.0491352561,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:La-Sb-Zr,18.0,"Invalid WP multiplicities - A3B5C_hP18_193_g_2d2g_b:La-Sb-Zr, expected La3ZrSb10 to be La3ZrSb5" +mp-1211,ScCd,-3.91784189,-0.2901624575,0.0,-0.1173009287,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Sc,2.0,AB_cP2_221_a_b:Cd-Sc +mp-1179520,Sc5Ga3,-5.6228817794,-0.5295525803,0.0078149839,0.0078149839,GGA,C2/m,A3B5_mC32_12_ij_ghij:Ga-Sc,16.0,A3B5_mC32_12_ij_ghij:Ga-Sc +mp-17332,Sc5Ga3,-5.6157584894,-0.5224292903000001,0.0149382739,0.0149382739,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Sc,16.0,A3B5_hP16_193_g_dg:Ga-Sc +mp-11411,ScGa,-5.28278373,-0.6025011662,0.0,-0.0154114601,GGA,Cmcm,AB_oC8_63_c_c:Ga-Sc,4.0,AB_oC8_63_c_c:Ga-Sc +mp-31502,ScCd7,-1.7056954169,-0.1066082388,0.0006004744,0.0006004744,GGA,Cmcm,A7B_oC32_63_cefg_c:Cd-Sc,16.0,A7B_oC32_63_cefg_c:Cd-Sc +mp-30494,ScCd3,-2.4897020225,-0.2144174262,0.0,-0.0466244479,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Sc,8.0,A3B_hP8_194_h_c:Cd-Sc +mp-1097405,Sc2CdGa,-2.173590605,1.9803903931,2.4285100997,2.4285100997,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-Sc,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-Sc +mp-1186933,Sc2CdGa,-4.5937168875,-0.4397358894,0.0083838172,0.0083838172,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ga-Sc,4.0,ABC2_cF16_225_a_b_c:Cd-Ga-Sc +mp-1186968,Sc3Ga,-5.84067343,-0.3342975956,0.0239474472,0.0239474472,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Sc,8.0,AB3_hP8_194_c_h:Ga-Sc +mp-11413,ScGa2,-4.673678515,-0.5441247983,0.023459249,0.023459249,GGA,Cmmm,A2B_oC12_65_acg_h:Ga-Sc,6.0,A2B_oC12_65_acg_h:Ga-Sc +mp-11412,ScGa2,-4.696258215,-0.5667044983,0.000879549,0.000879549,GGA,Imma,A2B_oI12_74_h_e:Ga-Sc,6.0,A2B_oI12_74_h_e:Ga-Sc +mp-30666,Sc3Ga2,-5.5839119405,-0.5731920685,0.0,-0.029049771,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Sc,40.0,A2B3_tI80_140_achl_ghm:Ga-Sc +mp-1200767,Sc3Ga5,-4.8682758347,-0.6010399062,0.0,-0.0253862409,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ga-Sc,32.0,A5B3_oP32_62_3cd_cd:Ga-Sc +mp-1209233,Sc11Ga10,-5.3433906386,-0.5844325252,0.0110902844,0.0110902844,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ga-Sc,42.0,A10B11_tI84_139_dehim_eh2n:Ga-Sc +mp-932,ScGa3,-4.3548616225,-0.5006723294000001,0.0,-0.0756439556,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Sc,4.0,A3B_cP4_221_c_a:Ga-Sc +mp-972876,Sc3Cd,-5.1113799,-0.1313056313,0.0137755975,0.0137755975,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Sc,8.0,AB3_hP8_194_c_h:Cd-Sc +mp-1183669,CdIn,-1.79797818,0.039308565,0.039308565,0.039308565,GGA,P-6m2,AB_hP2_187_a_d:Cd-In,2.0,AB_hP2_187_a_d:Cd-In +mp-1183676,CdIn3,-2.2447401013,0.0497451362,0.0497451362,0.0497451362,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-In,8.0,AB3_hP8_194_c_h:Cd-In +mp-1183674,CdIn3,-2.2426822775,0.05180296,0.05180296,0.05180296,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-In,4.0,AB3_cF16_225_a_bc:Cd-In +mp-862711,Sc2CdIn,-4.45883625,-0.373958325,0.0,-0.0124435725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Sc,4.0,ABC2_cF16_225_a_b_c:Cd-In-Sc +mp-12661,Cd3In,-1.3580739,0.0220143525,0.0220143525,0.0220143525,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-In,4.0,A3B_cP4_221_c_a:Cd-In +mp-30328,Ho6FeBi2,-5.2803453111,-0.4308505678,0.0,-0.0098662456,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Ho,9.0,"Invalid WP multiplicities - A2BC6_hP9_189_c_b_2f2g:Bi-Fe-Ho, expected Ho12FeBi2 to be Ho6FeBi2" +mp-1018084,CrAgTe2,-5.0421258,-0.349071985,0.0417676892,0.0417676892,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-Te,4.0,ABC2_hR12_160_a_a_2a:Ag-Cr-Te +mp-1183721,CrAg3,-4.26966346,0.26801541,0.26801541,0.26801541,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Cr,4.0,A3B_tI8_139_ad_b:Ag-Cr +mp-20118,Cr2AgTe4,-5.40551313,-0.4466739133,0.0,-0.02952954,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ag-Cr-Te,14.0,AB2C4_cF56_227_a_d_e:Ag-Cr-Te +mp-1080611,CaIn2Ni,-3.6848373962,-0.3625613912,0.0,-0.0255454771,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ca-In-Ni,8.0,AB2C_oC16_63_c_f_c:Ca-In-Ni +mp-1102167,CaNi3,-4.9952308075000005,-0.1587283275,2.67167e-05,2.67167e-05,GGA,R-3m,AB3_hR36_166_ac_bch:Ca-Ni,12.0,AB3_hR36_166_ac_bch:Ca-Ni +mp-1101884,CaNi5,-5.2595728375,-0.1085256242,0.0029425929,0.0029425929,GGA,Imma,AB5_oI24_74_e_agi:Ca-Ni,12.0,AB5_oI24_74_e_agi:Ca-Ni +mp-774,CaNi5,-5.2620156633,-0.11096845,0.0004997671,0.0004997671,GGA,P6/mmm,AB5_hP6_191_a_cg:Ca-Ni,6.0,AB5_hP6_191_a_cg:Ca-Ni +mp-1105997,Ca2Ni7,-5.0899750139,-0.1486242894,0.0,-0.0058159211,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Ca-Ni,18.0,A2B7_hR54_166_2c_a2cdh:Ca-Ni +mp-21677,Ca3(InNi2)4,-4.4750890483,-0.2574471817,0.0,-0.0194938195,GGA,P6_3mc,A3B4C8_hP30_186_c_bc_ab2c:Ca-In-Ni,30.0,A3B4C8_hP30_186_c_bc_ab2c:Ca-In-Ni +mp-1214129,Ca4Ni,-2.543169915,0.217337325,0.2740815175,0.2740815175,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Ni,10.0,A4B_cF40_227_e_a:Ca-Ni +mp-2295,CaNi2,-4.711105055,-0.1891473083,0.0,-0.0480554617,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Ni,6.0,AB2_cF24_227_a_d:Ca-Ni +mp-1419473,CaIn4Ni,-3.3739032933,-0.2418247133,0.0442058733,0.0442058733,GGA,Amm2,AB4C_oC24_38_ab_ab3c_ab:Ca-In-Ni,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_2a2c3f_c:Ca-In-Ni, expected CaIn10Ni to be CaIn4Ni" +mp-672194,CaIn4Ni,-3.4118859717,-0.2798073917,0.006223195,0.006223195,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ca-In-Ni,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_2a2c3f_c:Ca-In-Ni, expected CaIn10Ni to be CaIn4Ni" +mp-1059707,CaNi,-3.869078955,0.023789325,0.1656498062,0.1656498062,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Ni,2.0,AB_cP2_221_a_b:Ca-Ni +mp-1080454,DyPdPb,-5.2252461567,-0.72547425,0.0,-0.0235462058,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-Pb-Pd,9.0,ABC_hP9_189_f_g_ad:Dy-Pb-Pd +mp-20176,DyPb3,-4.21430025,-0.2781182375,0.0,-0.0403357564,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pb,4.0,AB3_cP4_221_a_c:Dy-Pb +mp-569760,Dy5Pb3,-4.807685135,-0.5362007088,0.0,-0.0903585566,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Pb,16.0,"Invalid WP multiplicities - A5B3_hP16_193_2d2g_g:Dy-Pb, expected Dy10Pb3 to be Dy5Pb3" +mp-31088,Dy2Pd2Pb,-5.499510527,-0.842313653,0.0,-0.0452443055,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Dy-Pb-Pd +mp-1206592,DyPd2Pb,-5.372212965,-0.7024135825000001,0.0173719675,0.0173719675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Dy-Pb-Pd +mp-1199847,Dy5Pb4,-4.7377969003,-0.5284055136,0.0,-0.0399978551,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Dy-Pb,36.0,A5B4_oP36_62_c2d_2cd:Dy-Pb +mp-1095677,NpSb2,-7.4355406758,-0.3669466221,0.0,-0.0664056858,GGA,Cmce,AB2_oC24_64_f_ef:Np-Sb,12.0,AB2_oC24_64_f_ef:Np-Sb +mp-977366,NpSb3,-6.62645001,-0.2927541597,0.0,-0.0175441931,GGA,I4/mmm,AB3_tI8_139_a_bd:Np-Sb,4.0,AB3_tI8_139_a_bd:Np-Sb +mp-977296,NpSb3,-6.39404884,-0.0603529897,0.23240117,0.2148569769,GGA,P6_3/mmc,AB3_hP8_194_c_h:Np-Sb,8.0,AB3_hP8_194_c_h:Np-Sb +mp-1188998,NpPd3,-7.6016007069,-0.4797444291,0.0,-0.4797444291,GGA,P6_3/mmc,AB3_hP16_194_ac_gh:Np-Pd,16.0,AB3_hP16_194_ac_gh:Np-Pd +mp-2375,NpPd3,-7.2762792675,-0.1544229897,0.3253214394,-0.1544229897,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Pd,4.0,AB3_cP4_221_a_c:Np-Pd +mp-1186321,NpSbPd2,-7.01052749,-0.1513913547,0.3019009972,0.3019009972,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Np-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Np-Pd-Sb +mp-20055,NpSb,-8.85285622,-0.3144657594,0.00164873,-0.0392557928,GGA,P4/mmm,AB_tP2_123_a_d:Np-Sb,2.0,AB_tP2_123_a_d:Np-Sb +mp-20969,NpSb,-8.85450495,-0.3161144894,0.0,-0.0409045228,GGA,Fm-3m,AB_cF8_225_a_b:Np-Sb,2.0,AB_cF8_225_a_b:Np-Sb +mp-1187337,TbErRh2,-6.8717807375,-0.8891055750000001,0.010566535,0.010566535,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Tb +mp-980385,Tb3Er,-4.5957036425,0.022000635,0.022000635,0.022000635,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Tb,4.0,AB3_tI8_139_a_bd:Er-Tb +mp-1187281,Tb3Er,-4.5968078125,0.020896465,0.020896465,0.020896465,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Tb,4.0,AB3_cP4_221_a_c:Er-Tb +mp-975050,Rb3Co,-1.66148981,0.8509901931,0.8509901931,0.8509901931,GGA,Fm-3m,AB3_cF16_225_a_bc:Co-Rb,4.0,AB3_cF16_225_a_bc:Co-Rb +mp-570539,Rb3As7,-3.9168784041,-0.3613352989,0.0031152962,-0.0217318469,GGA,P2_1/c,A7B3_mP80_14_14e_6e:As-Rb,80.0,"Invalid WP multiplicities - A7B3_mP80_14_52e_22e:As-Rb, expected Rb11As26 to be Rb3As7" +mp-680413,Rb3As7,-3.9199937003,-0.3644505951,0.0,-0.024847143,GGA,Pbca,A7B3_oP160_61_14c_6c:As-Rb,160.0,"Invalid WP multiplicities - A7B3_oP160_61_109c_42c:As-Rb, expected Rb42As109 to be Rb3As7" +mp-1207142,Rb(CoAs)2,-5.293456488,-0.3903751935,0.0,-0.1010253248,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Rb,5.0,A2B2C_tI10_139_e_d_a:As-Co-Rb +mp-15556,Rb2As3,-3.601273442,-0.41358877,0.0,-0.019833844,GGA,Fmmm,A3B2_oF40_69_hm_fg:As-Rb,10.0,A3B2_oF40_69_hm_fg:As-Rb +mp-542233,Rb3As11,-4.1470377989,-0.2761874652,0.0,-0.0158656116,GGA,Pbcn,A11B3_oP56_60_c5d_cd:As-Rb,56.0,"Invalid WP multiplicities - A11B3_oP56_60_3c33d_2c3d:As-Rb, expected Rb8As69 to be Rb3As11" +mp-10802,RbAs,-3.2428854956,-0.4230592569,0.0,-0.0565410646,GGA,P2_12_12_1,AB_oP16_19_2a_2a:As-Rb,16.0,AB_oP16_19_2a_2a:As-Rb +mp-7898,Rb3As,-2.1490219038,-0.2488417481,0.0,-0.0373121197,GGA,P6_3/mmc,AB3_hP8_194_c_bf:As-Rb,8.0,AB3_hP8_194_c_bf:As-Rb +mp-1184183,CuGe3,-4.16912464,0.3229479188,0.3248502392,0.3248502392,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Ge,4.0,AB3_tI8_139_a_bd:Cu-Ge +mp-1025440,CuGe3,-4.1863492275,0.3057233313,0.3076256517,0.3076256517,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Cu-Ge,8.0,AB3_hP8_194_c_bf:Cu-Ge +mp-1184147,CuGe3,-4.1638989012,0.3281736575,0.3300759779,0.3300759779,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cu-Ge,8.0,AB3_hP8_194_c_h:Cu-Ge +mp-1225980,Cu19Sn16,-4.063151206,-0.0049204514,0.016392744,0.016392744,GGA,P1,A19B16_aP35_1_19a_16a:Cu-Sn,35.0,A19B16_aP35_1_19a_16a:Cu-Sn +mp-1213530,Cu41Sn11,-4.0626656663,0.0175797929,0.0274422691,0.0274422691,GGA,F-43m,A41B11_cF416_216_7ef2g3h_efh:Cu-Sn,104.0,A41B11_cF416_216_7ef2g3h_efh:Cu-Sn +mp-1184132,CuSn3,-3.79787633,0.2341042288,0.2457598825,0.2457598825,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Sn,4.0,AB3_tI8_139_a_bd:Cu-Sn +mp-1184173,CuSn3,-3.8060358763,0.2259446825,0.2376003362,0.2376003362,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cu-Sn,8.0,AB3_hP8_194_c_h:Cu-Sn +mp-568524,Cu5Sn4,-4.0651031793,-0.0057342048,0.0149869574,0.0149869574,GGA,C2,A5B4_mC54_5_a7c_ab5c:Cu-Sn,27.0,A5B4_mC54_5_a7c_ab5c:Cu-Sn +mp-845,Cu5Sn4,-4.0690324219,-0.0096634475,0.0110577147,0.0110577147,GGA,P2_1/c,A5B4_mP36_14_5e_4e:Cu-Sn,36.0,A5B4_mP36_14_5e_4e:Cu-Sn +mp-581786,Cu3Sn,-4.0702611987,0.0065367675,0.0181924213,0.0181924213,GGA,Pmmn,A3B_oP8_59_ae_b:Cu-Sn,8.0,"Invalid WP multiplicities - A3B_oP8_59_2ae_b:Cu-Sn, expected Cu4Sn to be Cu3Sn" +mp-1195862,Cu3Sn,-4.061596837,0.0152011292,0.026856783,0.026856783,GGA,Cmcm,A3B_oC80_63_5c5g_5c:Cu-Sn,40.0,A3B_oC80_63_5c5g_5c:Cu-Sn +mp-13138,Cu3Sn,-4.0765522512,0.000245715,0.0119013688,0.0119013688,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Sn,8.0,A3B_hP8_194_h_c:Cu-Sn +mp-838,Cu3Sn,-4.01488046,0.0619175063,0.07357316,0.07357316,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-Sn,4.0,A3B_cF16_225_ac_b:Cu-Sn +mp-569339,Cu10Sn3,-3.88562373,0.1928979827,0.2036570477,0.2036570477,GGA,P-31m,A10B3_hP26_162_e3k_ch:Cu-Sn,26.0,"Invalid WP multiplicities - A10B3_hP26_162_2e14k_ch:Cu-Sn, expected Cu44Sn3 to be Cu10Sn3" +mp-568495,Cu10Sn3,-4.0673329742,0.0111887385,0.0219478035,0.0219478035,GGA,P6_3,A10B3_hP26_173_a3b2c_c:Cu-Sn,26.0,"Invalid WP multiplicities - A10B3_hP26_173_2a6b8c_c:Cu-Sn, expected Cu32Sn3 to be Cu10Sn3" +mp-30597,Cu10Sn3,-4.0632806377,0.015241075,0.02600014,0.02600014,GGA,P6_3/m,A10B3_hP26_176_bcfi_h:Cu-Sn,26.0,A10B3_hP26_176_bcfi_h:Cu-Sn +mp-19724,Cu3Ge,-4.2358689275,-0.0057069613,0.0,-0.0057069613,GGA,Pmmn,A3B_oP8_59_ae_b:Cu-Ge,8.0,A3B_oP8_59_ae_b:Cu-Ge +mp-1225745,Cu3Ge,-4.0949384725,0.1352234937,0.140930455,0.1352234937,GGA,P-6m2,A3B_hP4_187_ah_b:Cu-Ge,4.0,A3B_hP4_187_ah_b:Cu-Ge +mp-1184021,Cu3Ge,-4.2327561625,-0.0025941963,0.003112765,-0.0025941963,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Ge,8.0,A3B_hP8_194_h_c:Cu-Ge +mp-10598,CuSn,-4.07770057,-0.0233113075,0.0,-0.0112719279,GGA,P6_3/mmc,AB_hP4_194_a_c:Cu-Sn,4.0,AB_hP4_194_a_c:Cu-Sn +mp-1227576,Cu81Sn22,-4.0638200293,0.0162413404,0.0261995688,0.0261995688,GGA,R3m,A81B22_hR309_160_6a19b3c_a5bc:Cu-Sn,103.0,"Invalid WP multiplicities - A81B22_hR309_160_6a25b9c_a7b3c:Cu-Sn, expected Cu27Sn8 to be Cu81Sn22" +mp-1233,Cu6Sn5,-4.0715974409,-0.0131338686,0.0080582291,0.0080582291,GGA,C2/c,A6B5_mC44_15_ae2f_e2f:Cu-Sn,22.0,A6B5_mC44_15_ce2f_e2f:Cu-Sn +mp-1225769,Cu5Ge2,-4.1804343214,0.0684355443,0.0738707455,0.0738707455,GGA,R3m,A5B2_hR21_160_5a_2a:Cu-Ge,7.0,A5B2_hR21_160_5a_2a:Cu-Ge +mp-1225722,Cu5Ge2,-4.18334878,0.0655210857,0.0709562869,0.0709562869,GGA,R-3m,A5B2_hR21_166_a2c_c:Cu-Ge,7.0,"Invalid WP multiplicities - A5B2_hR21_166_a4c_c:Cu-Ge, expected Cu9Ge2 to be Cu5Ge2" +mp-1225733,Cu6SnGe,-4.1434158437,0.0100641225,0.01874543,0.01874543,GGA,Pmm2,A6BC_oP8_25_adef_b_c:Cu-Ge-Sn,8.0,"Invalid WP multiplicities - A6BC_oP8_25_ad2ef_c_b:Cu-Ge-Sn, expected Cu8SnGe to be Cu6SnGe" +mp-979011,TmZr,-6.451023425,0.0607446017,0.0607446017,0.0607446017,GGA,P-6m2,AB_hP2_187_a_d:Tm-Zr,2.0,AB_hP2_187_a_d:Tm-Zr +mp-1187712,TmZr3,-7.512465175,0.0172691533,0.0172691533,0.0172691533,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tm-Zr,8.0,AB3_hP8_194_c_h:Tm-Zr +mp-567807,TmZrSb,-6.5428461783,-0.8253337472000001,0.0,-0.04206268,GGA,I4/mmm,ABC_tI12_139_e_e_c:Sb-Tm-Zr,6.0,ABC_tI12_139_e_e_c:Sb-Tm-Zr +mp-1187059,Th3Pt,-7.3190110263,-0.2408340088,0.3745318379,0.3745318379,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pt-Th,8.0,AB3_hP8_194_c_h:Pt-Th +mp-1079168,ThGaPt,-6.5657397022,-1.0613771714,0.0,-0.1253200356,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Pt-Th,9.0,ABC_hP9_189_f_bc_g:Ga-Pt-Th +mp-865400,ThPt3,-7.489113455,-1.0822989025,0.0,-0.1571891912,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pt-Th,8.0,A3B_hP8_194_h_c:Pt-Th +mp-1187452,ThPt3,-7.4808947125,-1.07408016,0.0082187425,-0.1489704487,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Th,4.0,A3B_cP4_221_c_a:Pt-Th +mp-1078992,Th3Pt5,-7.3957510375,-0.8210958687000001,0.412950625,0.4077330381,GGA,P-62m,A5B3_hP8_189_cg_f:Pt-Th,8.0,A5B3_hP8_189_cg_f:Pt-Th +mp-1207128,Th3Pt5,-7.8087016625,-1.2340464937,0.0,-0.0052175869,GGA,P-62m,A5B3_hP8_189_cf_g:Pt-Th,8.0,A5B3_hP8_189_cf_g:Pt-Th +mp-12754,ThPt,-7.9573725675,-1.2148767825,0.0,-0.1714485494,GGA,Cmcm,AB_oC8_63_c_c:Pt-Th,4.0,AB_oC8_63_c_c:Pt-Th +mp-569074,Th7Pt3,-7.749479787,-0.7384390160000001,0.0,-0.0095129465,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Pt-Th,20.0,A3B7_hP20_186_c_b2c:Pt-Th +mp-1070844,ThPt2,-7.7521879117,-1.233479615,0.0,-0.0500156517,GGA,I4/mmm,A2B_tI12_139_ce_e:Pt-Th,6.0,A2B_tI12_139_ce_e:Pt-Th +mp-19761,LaGe2,-5.4163986067,-0.6890443350000001,0.0059020154,0.0059020154,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-La,6.0,A2B_tI12_141_e_a:Ge-La +mp-1188469,La5Ge3,-5.5140761031,-0.6954362169,0.0,-0.0566023784,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-La,16.0,A3B5_hP16_193_g_dg:Ge-La +mp-1223265,La2Ge3,-5.472956058,-0.724736503,0.0601619368,0.0601619368,GGA,Imm2,A3B2_oI10_44_2ab_ab:Ge-La,5.0,A3B2_oI10_44_2ab_ab:Ge-La +mp-1069898,LaGe3Os,-6.530957878,-0.524466258,0.0,-0.0762336196,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-La-Os,5.0,A3BC_tI10_107_ab_a_a:Ge-La-Os +mp-647589,La6Ge11,-5.4684262093000005,-0.7349350896,0.0008904579,0.0008904579,GGA,P2_1/c,A11B6_mP68_14_11e_6e:Ge-La,68.0,"Invalid WP multiplicities - A11B6_mP68_14_43e_22e:Ge-La, expected La22Ge43 to be La6Ge11" +mp-631288,LaGeOs,-6.0032781467,0.92552265,1.4933749508,1.4933749508,GGA,F-43m,ABC_cF12_216_a_c_b:Ge-La-Os,3.0,ABC_cF12_216_a_c_b:Ge-La-Os +mp-1211671,La3Ge5,-5.5085735106,-0.7681784369,0.0,-0.0022505489,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-La,16.0,A5B3_oF64_43_a2b_ab:Ge-La +mp-1184652,Ge3Os,-5.8191961225,0.4549166262,0.5174462825,0.5174462825,GGA,Fm-3m,A3B_cF16_225_ac_b:Ge-Os,4.0,A3B_cF16_225_ac_b:Ge-Os +mp-1025100,LaGe5,-4.9735593233,-0.29836826,0.0491049152,0.0491049152,GGA,Immm,A5B_oI12_71_al_c:Ge-La,6.0,A5B_oI12_71_al_c:Ge-La +mp-1189101,La3Os,-6.66087206,-0.1520248738,0.0,-0.1277327291,GGA,Pnma,A3B_oP16_62_cd_c:La-Os,16.0,A3B_oP16_62_cd_c:La-Os +mp-1211568,La4Os,-5.936522764,0.257756406,0.379376305,0.379376305,GGA,Fd-3m,A4B_cF40_227_e_a:La-Os,10.0,A4B_cF40_227_e_a:La-Os +mp-10032,Ge2Os,-6.907847255,-0.083372875,0.0,-0.024269641,GGA,C2/m,A2B_mC12_12_2i_i:Ge-Os,6.0,A2B_mC12_12_2i_i:Ge-Os +mp-1211472,La4Ge7,-5.4949617827,-0.7581232914,0.0,-0.0070702152,GGA,C222_1,A7B4_oC44_20_a3c_abc:Ge-La,22.0,A7B4_oC44_20_a3c_abc:Ge-La +mp-1102043,LaOs2,-9.1950263742,-0.0647790525,0.0027875581,0.0027875581,GGA,P6_3/mmc,AB2_hP12_194_f_ah:La-Os,12.0,AB2_hP12_194_f_ah:La-Os +mp-1768,LaOs2,-9.1690800883,-0.0388327667,0.0287338439,0.0287338439,GGA,Fd-3m,AB2_cF24_227_a_d:La-Os,6.0,AB2_cF24_227_a_d:La-Os +mp-21345,LaGe,-5.6151395012,-0.8356220212000001,0.01615643,-0.1038146944,GGA,Pnma,AB_oP8_62_c_c:Ge-La,8.0,AB_oP8_62_c_c:Ge-La +mp-1084830,LaGe,-5.6312959313,-0.8517784513000001,0.0,-0.1199711244,GGA,Cmcm,AB_oC16_63_f_2c:Ge-La,8.0,AB_oC16_63_f_2c:Ge-La +mp-16610,Ge3Os2,-7.3356875657,-0.0709238808,0.0041117067,0.0041117067,GGA,Pbcn,A3B2_oP40_60_3d_2cd:Ge-Os,40.0,A3B2_oP40_60_3d_2cd:Ge-Os +mp-510032,Ge3Os2,-7.327630411,-0.062866726,0.0121688615,0.0121688615,GGA,P-4c2,A3B2_tP20_116_ej_adi:Ge-Os,20.0,A3B2_tP20_116_ej_adi:Ge-Os +mp-622620,ErNiSn,-5.4540924225000005,-0.6682833075,0.0,-0.0834775255,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Er-Ni-Sn +mp-1079596,Er2NiSn6,-4.7633886911,-0.4330547544,0.0001910846,0.0001910846,GGA,Cmmm,A2BC6_oC18_65_h_a_2gh:Er-Ni-Sn,9.0,A2BC6_oC18_65_h_a_2gh:Er-Ni-Sn +mp-3816,Er6Ni2Sn,-5.1962190922,-0.4210904172,0.015882633,0.015882633,GGA,Immm,A6B2C_oI36_71_lmn_fg_ab:Er-Ni-Sn,18.0,"Invalid WP multiplicities - A6B2C_oI36_71_l2mn_fg_ab:Er-Ni-Sn, expected Er8Ni2Sn to be Er6Ni2Sn" +mp-1212981,ErNiSn4,-4.7278820542,-0.3301915692,0.0396921697,0.0396921697,GGA,Cmmm,ABC4_oC24_65_g_h_acg2h:Er-Ni-Sn,12.0,ABC4_oC24_65_g_h_acg2h:Er-Ni-Sn +mp-1079474,ErSn3,-4.4813845087,-0.332275915,0.0877016146,0.0877016146,GGA,Amm2,AB3_oC16_38_ab_3a3b:Er-Sn,8.0,AB3_oC16_38_ab_3a3b:Er-Sn +mp-11372,ErSn3,-4.5382018550000005,-0.3890932613,0.0308842683,0.0308842683,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Sn,4.0,AB3_cP4_221_a_c:Er-Sn +mp-30613,ErSn2,-4.7553234783,-0.5597026383,0.0,-0.0257594408,GGA,Cmcm,AB2_oC12_63_c_2c:Er-Sn,6.0,AB2_oC12_63_c_2c:Er-Sn +mp-31385,Er5Sn3,-5.0669976319,-0.70858393,0.0,-0.1487023667,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Sn,16.0,A5B3_hP16_193_dg_g:Er-Sn +mp-1079090,Er3Sn7,-4.680988977,-0.5039730355,0.0,-0.000240661,GGA,Cmmm,A3B7_oC20_65_cg_ag2h:Er-Sn,10.0,A3B7_oC20_65_cg_ag2h:Er-Sn +mp-1182251,Er3Sn7,-4.318445763,-0.1414298215,0.362543214,0.362302553,GGA,Cmmm,A3B7_oC20_65_cg_ag2h:Er-Sn,10.0,A3B7_oC20_65_cg_ag2h:Er-Sn +mp-1184177,Er3Sn,-4.80855106,-0.3803689887,0.0920202979,0.0920202979,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Sn,4.0,A3B_tI8_139_ad_b:Er-Sn +mp-1196661,ErNiSn2,-5.1465754083,-0.5548256083,0.0,-0.0328190271,GGA,Pnma,ABC2_oP48_62_3c_3c_6c:Er-Ni-Sn,48.0,ABC2_oP48_62_3c_3c_6c:Er-Ni-Sn +mp-1196703,Er11Sn10,-5.0071358121,-0.7052012664,0.0,-0.0482700295,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Er-Sn,42.0,A11B10_tI84_139_eh2n_dehim:Er-Sn +mp-1105178,Er2Sn5,-4.64464849,-0.4756060764,0.0043682431,0.0043682431,GGA,Pmmn,A2B5_oP14_59_ab_2a3b:Er-Sn,14.0,A2B5_oP14_59_ab_2a3b:Er-Sn +mp-1225872,Er4NiSn8,-4.8414103515,-0.5239036777,0.034298336,0.034298336,GGA,Pmm2,A4BC8_oP13_25_abcd_a_2a2b2c2d:Er-Ni-Sn,13.0,A4BC8_oP13_25_abcd_a_2a2b2c2d:Er-Ni-Sn +mp-1080713,Er2Ni2Sn,-5.549846488,-0.6087899210000001,0.0,-0.0118808273,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Er-Ni-Sn,10.0,A2B2C_tP10_127_h_g_a:Er-Ni-Sn +mp-1016239,HfMg3,-3.51784984,0.171657455,0.186361305,0.186361305,GGA,Pmm2,AB3_oP4_25_a_bcd:Hf-Mg,4.0,AB3_oP4_25_a_bcd:Hf-Mg +mp-1094185,HfMg3,-3.43819163,0.251315665,0.266019515,0.266019515,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Mg,4.0,AB3_tI8_139_a_bd:Hf-Mg +mp-981375,HfMg3,-3.5388678725,0.1506394225,0.1653432725,0.1653432725,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Mg,8.0,AB3_hP8_194_c_h:Hf-Mg +mp-1094958,HfMg3,-3.545398315,0.14410898,0.15881283,0.15881283,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Mg,4.0,AB3_cP4_221_a_c:Hf-Mg +mp-1094184,HfMg3,-3.49122532,0.198281975,0.212985825,0.212985825,GGA,Fm-3m,AB3_cF16_225_a_bc:Hf-Mg,4.0,AB3_cF16_225_a_bc:Hf-Mg +mp-1094222,Hf2Mg,-5.8260476883,1.345505015,1.3520400595,1.3520400595,GGA,P4_2/mnm,A2B_tP6_136_f_a:Hf-Mg,6.0,A2B_tP6_136_f_a:Hf-Mg +mp-1018154,Hf2Hg,-6.8582103467,-0.1188575383,0.0,-0.090820635,GGA,I4/mmm,A2B_tI6_139_e_a:Hf-Hg,3.0,A2B_tI6_139_e_a:Hf-Hg +mp-1185513,HfMg149,-1.675467209,-0.0194744325,0.0,-0.0194744325,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Hf-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l5m16n8o:Hf-Mg, expected HfMg309 to be HfMg149" +mp-1016256,HfMg7,-2.5428102737,0.1020833988,0.1192378904,0.1192378904,GGA,P-6m2,AB7_hP8_187_a_djk:Hf-Mg,8.0,AB7_hP8_187_a_djk:Hf-Mg +mp-1097250,HfMgHg2,-1.337717515,1.7034899375,1.8557211806,1.8557211806,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Hg-Mg,4.0,AB2C_oI8_71_a_e_b:Hf-Hg-Mg +mp-1023478,HfMg15,-2.0796888131,0.0428980481,0.0612778606,0.0612778606,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Hf-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Hf-Mg, expected HfMg27 to be HfMg15" +mp-1094220,Hf3Mg,-7.78943648,0.078525305,0.0834265883,0.0834265883,GGA,I4/mmm,A3B_tI8_139_ad_b:Hf-Mg,4.0,A3B_tI8_139_ad_b:Hf-Mg +mp-1094259,Hf3Mg,-7.7656547475,0.1023070375,0.1072083208,0.1072083208,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Mg,8.0,A3B_hP8_194_h_c:Hf-Mg +mp-1094258,Hf3Mg,-7.6307589775,0.2372028075,0.2421040908,0.2421040908,GGA,Fm-3m,A3B_cF16_225_ac_b:Hf-Mg,4.0,A3B_cF16_225_ac_b:Hf-Mg +mp-1094780,HfMg,-5.5691278175,0.2096067225,0.2194092892,0.2194092892,GGA,Pmma,AB_oP4_51_e_f:Hf-Mg,4.0,AB_oP4_51_e_f:Hf-Mg +mp-1094964,HfMg,-5.585335155,0.193399385,0.2032019517,0.2032019517,GGA,P4/mmm,AB_tP2_123_a_d:Hf-Mg,2.0,AB_tP2_123_a_d:Hf-Mg +mp-1094181,HfMg,-5.64716065,0.13157389,0.1413764567,0.1413764567,GGA,R-3m,AB_hR6_166_a_b:Hf-Mg,2.0,AB_hR6_166_a_b:Hf-Mg +mp-1097929,HfMg,-5.4842832375,0.2944513025,0.3042538692,0.3042538692,GGA,P6_3mc,AB_hP4_186_b_b:Hf-Mg,4.0,AB_hP4_186_b_b:Hf-Mg +mp-1094978,HfMg,-4.16742781,1.61130673,1.6211092967,1.6211092967,GGA,P6_3/mmc,AB_hP4_194_c_d:Hf-Mg,4.0,AB_hP4_194_c_d:Hf-Mg +mp-1094183,HfMg,-3.6102843,2.16845024,2.1782528067,2.1782528067,GGA,F-43m,AB_cF8_216_a_c:Hf-Mg,2.0,AB_cF8_216_a_c:Hf-Mg +mp-1094990,HfMg,-5.561975705,0.216758835,0.2265614017,0.2265614017,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Mg,2.0,AB_cP2_221_a_b:Hf-Mg +mp-1094180,HfMg,-4.809061145,0.969673395,0.9794759617,0.9794759617,GGA,Fm-3m,AB_cF8_225_a_b:Hf-Mg,2.0,AB_cF8_225_a_b:Hf-Mg +mp-1184632,Hf3Hg,-7.57535338,-0.0315415162,0.0576016375,0.0576016375,GGA,I4/mmm,A3B_tI8_139_ad_b:Hf-Hg,4.0,A3B_tI8_139_ad_b:Hf-Hg +mp-973853,Pa3Tc,-9.60262437,0.1235338612,0.1235338612,0.1235338612,GGA,Fm-3m,A3B_cF16_225_ac_b:Pa-Tc,4.0,A3B_cF16_225_ac_b:Pa-Tc +mp-1186415,PaTc3,-10.1039234225,0.0452219513,0.0452219513,0.0452219513,GGA,I4/mmm,AB3_tI8_139_a_bd:Pa-Tc,4.0,AB3_tI8_139_a_bd:Pa-Tc +mp-1186430,PaZnTc2,-7.97186351,-0.09794197,0.0,-0.0790817841,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Zn,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Zn +mp-1206378,Zn7Tc,-2.4633661775,-0.0660106506,0.0,-0.0660106506,GGA,Fm-3m,AB7_cF32_225_a_bd:Tc-Zn,8.0,AB7_cF32_225_a_bd:Tc-Zn +mp-1185632,Mg149Se,-1.6458379555,-0.0329203626,0.0,-0.0130618067,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Se,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l4m16n8o_d:Mg-Se, expected Mg303Se to be Mg149Se" +mp-1018040,MgSe,-4.03748746,-1.4893916962,0.0,-0.6264784344000001,GGA,P6_3mc,AB_hP4_186_b_b:Mg-Se,4.0,AB_hP4_186_b_b:Mg-Se +mp-13031,MgSe,-4.032300185,-1.4842044212,0.005187275,-0.6212911594,GGA,F-43m,AB_cF8_216_a_c:Mg-Se,2.0,AB_cF8_216_a_c:Mg-Se +mp-10760,MgSe,-4.01847544,-1.4703796762,0.01901202,-0.6074664144,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Se,2.0,AB_cF8_225_a_b:Mg-Se +mp-1006591,Mg(InSe2)2,-4.0215763996,-1.009105911,0.0,-0.0108239656,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:In-Mg-Se,28.0,"Invalid WP multiplicities - A2BC4_aP28_2_7i_4i_15i:In-Mg-Se, expected Mg4In7Se15 to be Mg(InSe2)2" +mp-1232060,Mg(InSe2)2,-3.8942918389,-0.8818213503000001,0.1272845607,0.1164605951,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:In-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:In-Mg-Se +mp-1232044,Mg(InSe2)2,-3.9412344654,-0.9287639767,0.0803419343,0.0695179687,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:In-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:In-Mg-Se +mp-1232047,Mg(InSe2)2,-3.9004171671,-0.8879466785000001,0.1211592325,0.1103352669,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:In-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:In-Mg-Se +mp-1232400,Mg(InSe2)2,-3.6921470593,-0.6796765706,0.3294293404,0.3186053748,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:In-Mg-Se,28.0,A2BC4_oP28_62_2c_c_2cd:In-Mg-Se +mp-1232056,Mg(InSe2)2,-3.9623234771,-0.9498529885,0.0592529225,0.0484289569,GGA,I-42d,A2BC4_tI28_122_d_a_e:In-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:In-Mg-Se +mp-1222200,Mg(InSe2)2,-4.0120799471,-0.9996094585,0.0094964525,-0.0013275131,GGA,R-3m,A2BC4_hR21_166_c_a_2c:In-Mg-Se,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_4c:In-Mg-Se, expected Mg(InSe4)2 to be Mg(InSe2)2" +mp-1001034,Mg(InSe2)2,-3.9857921379,-0.9733216492,0.0357842618,0.0249602962,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:In-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:In-Mg-Se +mp-1103590,MgSe2,-4.0073506033,-1.1433162682,0.0,-0.1503884708,GGA,Pa-3,AB2_cP12_205_a_c:Mg-Se,12.0,AB2_cP12_205_a_c:Mg-Se +mp-1185834,Mg5Se,-2.1880480467,-0.2718294254,0.2334600184,0.2334600184,GGA,Cm,A5B_mC12_8_5a_a:Mg-Se,6.0,A5B_mC12_8_5a_a:Mg-Se +mp-1232193,MgInSe3,-3.738031033,-0.7700913904000001,0.2792776278,0.2792776278,GGA,C2/m,ABC3_mC20_12_i_g_ij:In-Mg-Se,20.0,ABC3_mC20_12_i_g_ij:In-Mg-Se +mp-1237970,MgInSe3,-3.750943127,-0.7830034844,0.2663655338,0.2663655338,GGA,C2/m,ABC3_mC20_12_i_g_ij:In-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:In-Mg-Se +mp-1232401,MgInSe3,-3.7399101377,-0.7719704951,0.2773985231,0.2773985231,GGA,R-3,ABC3_hR30_148_c_c_f:In-Mg-Se,30.0,ABC3_hR30_148_c_c_f:In-Mg-Se +mp-1980,YbNi2,-4.8118332567,-0.4452060433,0.0,-0.0970083776,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Yb,,A2B_cF24_227_c_b:Ni-Yb +mp-12782,YbAl2Ni,-4.231343315,-0.52861916,0.0,-0.063412208,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Yb,,A2BC_oC16_63_f_c_c:Al-Ni-Yb +mp-1207772,Yb4Ni,-2.289202781,0.098511179,0.2557007945,0.2557007945,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Yb,,AB4_cF40_227_a_e:Ni-Yb +mp-1215764,YbAlNi,-4.0943503442,-0.4059100808,0.0800429114,0.0800429114,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Yb,,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Yb, expected Yb3(AlNi)2 to be YbAlNi" +mp-1215767,YbAlNi,-4.0941529458,-0.4057126825,0.0802403097,0.0802403097,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Ni-Yb,,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Ni-Yb, expected Yb3(AlNi)2 to be YbAlNi" +mp-1078733,YbAlNi,-4.1258497056,-0.4374094422,0.04854355,0.04854355,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Yb,,ABC_hP9_189_f_bc_g:Al-Ni-Yb +mp-2645,YbNi5,-5.3262617500000005,-0.2528798033,0.0,-0.0068069392,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Yb,,A5B_hP6_191_cg_a:Ni-Yb +mp-18482,Yb4Al23Ni6,-4.270188233,-0.4220822545,0.0,-0.0079175839,GGA,C2/m,A23B6C4_mC66_12_a11i_3i_2i:Al-Ni-Yb,,"Invalid WP multiplicities - A23B6C4_mC66_12_a14i_5i_3i:Al-Ni-Yb, expected Yb6Al29Ni10 to be Yb4Al23Ni6" +mp-1199108,Yb2Ni17,-5.4821069368,-0.1483416674,0.0113718926,0.0113718926,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Yb,,A17B2_hP38_194_fgjk_bc:Ni-Yb +mp-1207023,Yb2AlNi2,-4.128833208,-0.451820058,0.0,-0.0329413338,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Yb,,AB2C2_oI10_71_a_f_h:Al-Ni-Yb +mp-1080433,YbNi,-3.9811371638,-0.3212646837,0.02445375,0.02445375,GGA,Pnma,AB_oP8_62_c_c:Ni-Yb,,AB_oP8_62_c_c:Ni-Yb +mp-1189509,Yb3Ni,-2.7962273994,-0.1964870194,0.0,-0.0295347531,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Yb,,AB3_oP16_62_c_cd:Ni-Yb +mp-1095559,YbNi3,-5.0816687367,-0.3616641567,0.0,-0.0042897817,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Yb,,A3B_hR36_166_ach_bc:Ni-Yb +mp-1188334,Yb2Ni7,-5.1658941878,-0.3280971522,0.0,-0.0026944467,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Yb,,A7B2_hR54_166_a2cdh_2c:Ni-Yb +mp-1215317,ZrAlOs,-8.3551884683,-0.5149738383,0.0254572879,0.0254572879,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Os-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Os-Zr, expected Zr3(AlOs)2 to be ZrAlOs" +mp-542437,Gd2Zn17,-2.8597039837,-0.2508678863,0.0,-0.0937668667,GGA,R-3m,A2B17_hR57_166_c_cdfh:Gd-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_2c3d5f3h:Gd-Zn, expected Gd2Zn61 to be Gd2Zn17" +mp-1198632,Gd2Zn17,-2.8545691837,-0.2457330863,0.0051348,-0.0886320667,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Gd-Zn,38.0,A2B17_hP38_194_bc_fgjk:Gd-Zn +mp-1224750,GdDy,-9.332068875,0.009385665,0.009385665,0.009385665,GGA,P-6m2,AB_hP2_187_a_d:Dy-Gd,2.0,AB_hP2_187_a_d:Dy-Gd +mp-1193017,Gd6Zn23,-4.2201929169,-0.3087847628,0.0044988298,0.0044988298,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Gd-Zn,29.0,A6B23_cF116_225_e_ad2f:Gd-Zn +mp-1184431,Gd3Dy,-11.6628413,0.04594709,0.04594709,0.04594709,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Gd,4.0,AB3_cP4_221_a_c:Dy-Gd +mp-1184524,GdDyZn2,-5.6543822725,-0.3537831975,0.0020822525,0.0020822525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Gd-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Gd-Zn +mp-1184460,Gd3Zn,-10.941518865,-0.0694912825,0.113030045,0.113030045,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-Zn,4.0,A3B_cP4_221_c_a:Gd-Zn +mp-2497,GdZn,-8.03297558,-0.365042655,0.0,-0.0718438775,GGA,Pm-3m,AB_cP2_221_a_b:Gd-Zn,2.0,AB_cP2_221_a_b:Gd-Zn +mp-1076988,GdZn2,-5.9228015233,-0.3909317033,0.0,-0.0578788302,GGA,Imma,AB2_oI12_74_e_h:Gd-Zn,6.0,AB2_oI12_74_e_h:Gd-Zn +mp-972868,SiAu3,-3.6276689,0.1840721075,0.1840721075,0.1840721075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Si,8.0,A3B_hP8_194_h_c:Au-Si +mp-1186998,SiAu3,-3.62969914,0.1820418675,0.1820418675,0.1820418675,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Si,4.0,A3B_cF16_225_ac_b:Au-Si +mp-1225750,Er2Si3,-5.641613652,-0.55933531,0.07186323,0.07186323,GGA,Pmm2,A2B3_oP5_25_ab_2cd:Er-Si,5.0,A2B3_oP5_25_ab_2cd:Er-Si +mp-1079295,ErSi,-5.782413455,-0.785895035,0.00310314,-0.1272066327,GGA,Pnma,AB_oP8_62_c_c:Er-Si,8.0,AB_oP8_62_c_c:Er-Si +mp-378,ErSi,-5.785516595,-0.788998175,0.0,-0.1303097727,GGA,Cmcm,AB_oC8_63_c_c:Er-Si,4.0,AB_oC8_63_c_c:Er-Si +mp-1219349,Si3Au10,-3.72224249,0.0481247477,0.0481247477,0.0481247477,GGA,I-43m,A10B3_cI52_217_2cg_e:Au-Si,26.0,A10B3_cI52_217_2cg_e:Au-Si +mp-3147,Er(SiAu)2,-4.884712434,-0.49148866,0.036672022,0.036672022,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Er-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Er-Si +mp-31167,Er5Si3,-5.5615748869,-0.6722563694,0.0,-0.0699162679,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Si,16.0,A5B3_hP16_193_dg_g:Er-Si +mp-1077267,ErSi2,-5.5962978917,-0.4568462683,0.069152515,0.069152515,GGA,I4_1/amd,AB2_tI12_141_a_e:Er-Si,6.0,AB2_tI12_141_a_e:Er-Si +mp-2145,ErSi2,-5.5826741167,-0.4432224933,0.08277629,0.08277629,GGA,P6/mmm,AB2_hP3_191_a_d:Er-Si,3.0,AB2_hP3_191_a_d:Er-Si +mp-775,Er5Si4,-5.6619730147,-0.7130989958,0.0240139322,0.0240139322,GGA,P2_1/c,A5B4_mP36_14_5e_4e:Er-Si,36.0,A5B4_mP36_14_5e_4e:Er-Si +mp-568446,Er5Si4,-5.6627585836000005,-0.7138845647000001,0.0232283633,0.0232283633,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Er-Si,36.0,"Invalid WP multiplicities - A5B4_oP36_62_4c7d_7c5d:Er-Si, expected Er18Si17 to be Er5Si4" +mp-1217156,Ti4Cr,-8.155112794,0.0918903133,0.1234262122,0.1234262122,GGA,Fmmm,AB4_oF20_69_a_2g:Cr-Ti,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Cr-Ti, expected Ti6Cr to be Ti4Cr" +mp-1208307,Ti4Cr,-7.470536194,0.7764669133000001,0.8080028122,0.8080028122,GGA,Fd-3m,AB4_cF40_227_a_e:Cr-Ti,10.0,AB4_cF40_227_a_e:Cr-Ti +mp-1589,TiCr2,-9.1528046267,-0.0856089744,0.0195106883,-0.0856089744,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cr-Ti,12.0,A2B_hP12_194_ah_f:Cr-Ti +mp-568636,TiCr2,-9.1696891413,-0.102493489,0.0026261738,-0.102493489,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Cr-Ti,24.0,"Invalid WP multiplicities - A2B_hP24_194_4f6g4h_3e4f:Cr-Ti, expected Ti7Cr19 to be TiCr2" +mp-1425,TiCr2,-9.172315315,-0.1051196628,0.0,-0.1051196628,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Ti,6.0,A2B_cF24_227_c_b:Cr-Ti +mp-1216959,TiCr,-8.630888855,0.1433808883,0.2222206354,0.2222206354,GGA,Cmmm,AB_oC4_65_a_c:Cr-Ti,2.0,AB_oC4_65_a_c:Cr-Ti +mp-568324,Cr5Ge3,-7.7475494494,0.019240665,0.1125206525,0.1125206525,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Cr-Ge,16.0,"Invalid WP multiplicities - A5B3_tI32_140_2b2k_a2h:Cr-Ge, expected Cr2Ge to be Cr5Ge3" +mp-1008727,Ti2Ge,-6.5744042633,0.2302663661,0.8487599557000001,0.8487599557000001,GGA,F-43m,AB2_cF12_216_a_bc:Ge-Ti,3.0,AB2_cF12_216_a_bc:Ge-Ti +mp-1189044,Ti3Ge,-7.5217309887,-0.4443550125,0.0195151797,0.0195151797,GGA,I-4,AB3_tI32_82_g_3g:Ge-Ti,16.0,AB3_tI32_82_g_3g:Ge-Ti +mp-998987,Ti3Ge,-7.3489736125,-0.2715976363,0.192272556,0.192272556,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Ti,4.0,AB3_cF16_225_a_bc:Ge-Ti +mp-1217423,Ti4Cr2Ge5,-7.0699598227,-0.3423959789,0.1394630768,0.1355604433,GGA,C2/m,A2B5C4_mC44_12_fg_ghij_eij:Cr-Ge-Ti,22.0,A2B5C4_mC44_12_fg_ghij_eij:Cr-Ge-Ti +mp-1192266,Ti4Cr2Ge5,-7.2094228995,-0.4818590558,0.0,-0.0039026335,GGA,Ibam,A2B5C4_oI44_72_f_a2j_2j:Cr-Ge-Ti,22.0,A2B5C4_oI44_72_f_a2j_2j:Cr-Ge-Ti +mp-568151,Ti5Ge3,-7.3641232444,-0.6958052883,0.0,-0.0961969389,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Ti,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_3d3g:Ge-Ti, expected Ti5Ge to be Ti5Ge3" +mp-567889,TiGe2,-6.13271756,-0.4188683178,0.0,-0.0073521958,GGA,Fddd,A2B_oF24_70_e_a:Ge-Ti,6.0,A2B_oF24_70_e_a:Ge-Ti +mp-20861,CrGe,-7.1234560688,0.0145815938,0.0892055837,0.0892055837,GGA,P2_13,AB_cP8_198_a_a:Cr-Ge,8.0,AB_cP8_198_a_a:Cr-Ge +mp-20685,Cr3Ge,-8.5074785512,-0.111935985,0.0,-0.1075207046,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Ge,8.0,A3B_cP8_223_c_a:Cr-Ge +mp-571123,Cr11Ge8,-7.4929451964,0.0421992778,0.128606003,0.128606003,GGA,Pnma,A11B8_oP76_62_7c2d_6cd:Cr-Ge,76.0,"Invalid WP multiplicities - A11B8_oP76_62_28c14d_21c6d:Cr-Ge, expected Cr56Ge33 to be Cr11Ge8" +mp-579963,Cr11Ge19,-6.4785537575,-0.011185377,0.0435388823,0.0435388823,GGA,P-4n2,A11B19_tP120_118_ac5e5h_f9i:Cr-Ge,120.0,"Invalid WP multiplicities - A11B19_tP120_118_a2c19e19h_4f67i:Cr-Ge, expected Cr79Ge276 to be Cr11Ge19" +mp-1191564,Ti6Ge5,-6.9324565214,-0.5244482145,0.1492759939,0.1492759939,GGA,Immm,A5B6_oI44_71_efgm_ehkm:Ge-Ti,22.0,A5B6_oI44_71_efgm_ehkm:Ge-Ti +mp-1365,Ti6Ge5,-7.0709575327,-0.6629492259,0.0107749825,0.0107749825,GGA,Ibam,A5B6_oI44_72_a2j_f2j:Ge-Ti,22.0,A5B6_oI44_72_a2j_f2j:Ge-Ti +mp-1198692,Ti5Ge4,-7.1269237036,-0.6858602032000001,0.0,-0.0187387789,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Ti,36.0,A4B5_oP36_62_2cd_c2d:Ge-Ti +mp-1225170,Fe2Si5,-6.5036646179,-0.2084313936,0.1306844007,0.1306844007,GGA,P4/mmm,A2B5_tP14_123_2g_5h:Fe-Si,14.0,"Invalid WP multiplicities - A2B5_tP14_123_3g_9h:Fe-Si, expected FeSi3 to be Fe2Si5" +mp-1714,FeSi2,-6.8358541833,-0.3956350933,0.0,-0.0783155158,GGA,Cmce,AB2_oC48_64_df_2g:Fe-Si,24.0,AB2_oC48_64_df_2g:Fe-Si +mp-20738,FeSi2,-6.7772086300000005,-0.33698954,0.0586455533,-0.0196699625,GGA,P4/mmm,AB2_tP3_123_a_h:Fe-Si,3.0,AB2_tP3_123_a_h:Fe-Si +mp-20177,Pu(FeSi)2,-8.585080912,-0.17337755,0.2179825033,0.2179825033,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Pu-Si +mp-1225186,Fe2Si,-7.7478655433,-0.2927453933,0.0686268421,0.0686268421,GGA,P4/mmm,A2B_tP6_123_adg_h:Fe-Si,6.0,A2B_tP6_123_adg_h:Fe-Si +mp-1225177,Fe2Si,-7.6905343933,-0.2354142433,0.1259579921,0.1259579921,GGA,I4/mmm,A2B_tI6_139_e_a:Fe-Si,3.0,A2B_tI6_139_e_a:Fe-Si +mp-22787,Fe2Si,-7.8117442683,-0.3566241183,0.0047481171,0.0047481171,GGA,P-3m1,A2B_hP6_164_abd_d:Fe-Si,6.0,A2B_hP6_164_abd_d:Fe-Si +mp-2570,PuFe2,-10.1096058483,0.2930210683,0.2930210683,0.2930210683,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Pu,6.0,A2B_cF24_227_c_b:Fe-Pu +mp-19800,Fe11Si5,-7.8464358162,-0.32788435,0.0191619941,0.0191619941,GGA,Pm-3m,A11B5_cP16_221_cg_abd:Fe-Si,16.0,"Invalid WP multiplicities - A11B5_cP16_221_c2g_abd:Fe-Si, expected Fe19Si5 to be Fe11Si5" +mp-871,FeSi,-7.4236489862,-0.4759793662,0.0,-0.0998497604,GGA,P2_13,AB_cP8_198_a_a:Fe-Si,8.0,AB_cP8_198_a_a:Fe-Si +mp-1105464,Pu6Fe,-13.3550780836,0.0845006579,0.0845006579,0.0845006579,GGA,I4/mcm,AB6_tI28_140_a_hk:Fe-Pu,14.0,AB6_tI28_140_a_hk:Fe-Pu +mp-1225135,Fe4Si,-7.921627504,-0.06054693,0.182708006,0.182708006,GGA,Fmmm,A4B_oF20_69_2g_a:Fe-Si,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Fe-Si, expected Fe6Si to be Fe4Si" +mp-1225210,Fe3Si,-7.9153066875,-0.2064612725,0.0976073975,0.0610068163,GGA,P4/mmm,A3B_tP4_123_ah_b:Fe-Si,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Fe-Si, expected Fe5Si to be Fe3Si" +mp-2199,Fe3Si,-8.012914085,-0.30406867,0.0,-0.0366005812,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Si,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Fe-Si, expected Fe5Si to be Fe3Si" +mp-449,Fe5Si3,-7.6843029163,-0.3560453988,0.0339786194,0.0339786194,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Fe-Si,16.0,A5B3_hP16_193_dg_g:Fe-Si +mp-1196624,Fe5Si3,-7.5077532331,-0.1794957156,0.2105283025,0.2105283025,GGA,Ia-3d,A5B3_cI64_230_ac_d:Fe-Si,32.0,A5B3_cI64_230_ac_d:Fe-Si +mp-1101922,EuFe2,-8.7323501592,0.3333312475,0.3333312475,0.3333312475,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Eu-Fe,12.0,AB2_hP12_194_f_ah:Eu-Fe +mp-582357,Eu(FeSi)2,-8.06807519,-0.458539134,0.0,-0.0124980497,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Fe-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Fe-Si +mp-862972,AcAgAu2,-3.9346507375,-0.5592769848,0.0,-0.0327699137,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ag-Au,4.0,ABC2_cF16_225_a_b_c:Ac-Ag-Au +mp-867838,AcAu3,-4.1746098762,-0.6889046244,0.0,-0.6562600871000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Au,8.0,AB3_hP8_194_c_h:Ac-Au +mp-1183064,Ac3Au,-4.0072853675,-0.0979336119,0.1317012629,0.1317012629,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Au,4.0,A3B_cP4_221_c_a:Ac-Au +mp-863729,Ho2OsPd,-6.9706352,-0.5776184550000001,0.0474204394,0.0474204394,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Os-Pd,4.0,A2BC_cF16_225_c_a_b:Ho-Os-Pd +mp-863733,Pm2RuAu,-5.9736565825,-0.4613142862,0.0,-0.2339047437,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Au-Pm-Ru +mp-974364,RuAu3,-4.4082258375,0.3657862975,0.3657862975,0.3657862975,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Ru,4.0,A3B_tI8_139_ad_b:Au-Ru +mp-974365,RuAu3,-4.3837971,0.390215035,0.390215035,0.390215035,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Ru,8.0,A3B_hP8_194_h_c:Au-Ru +mp-1226078,CoBiTe,-4.9165901917,-0.2192192522,0.0705813817,0.0705813817,GGA,P2/m,ABC_mP6_10_m_ce_n:Bi-Co-Te,6.0,ABC_mP6_10_m_ae_n:Bi-Co-Te +mp-1105522,CoBi3,-4.64718324,0.0102630562,0.0102630562,0.0102630562,GGA,Pnma,A3B_oP16_62_3c_c:Bi-Co,16.0,A3B_oP16_62_3c_c:Bi-Co +mp-985280,Co3Bi,-5.8770106875,0.4143499413,0.4143499413,0.4143499413,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Co,4.0,AB3_tI8_139_a_bd:Bi-Co +mp-1422,GdPt2,-9.83479792,-1.09533496,0.0,-0.0570177417,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Pt,6.0,AB2_cF24_227_a_d:Gd-Pt +mp-1106170,Gd3Pt,-12.75216661,-0.6772916,0.0,-0.062527035,GGA,Pnma,A3B_oP16_62_cd_c:Gd-Pt,16.0,A3B_oP16_62_cd_c:Gd-Pt +mp-11428,GdPt,-11.30315691,-1.22952913,0.0,-0.301411514,GGA,Pnma,AB_oP8_62_c_c:Gd-Pt,8.0,AB_oP8_62_c_c:Gd-Pt +mp-1184494,GdCdPt2,-7.570839985,-0.785520325,0.035980895,0.035980895,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Gd-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Gd-Pt +mp-20272,GdPt3,-9.0150918125,-0.9427112625,0.0,-0.1212100425,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Pt,4.0,AB3_cP4_221_a_c:Gd-Pt +mp-679989,Bi(Mo2Cl5)3,-5.7505286788,-1.357690511,0.0,-0.002554574,GGA,C2/c,AB15C6_mC176_15_f_15f_6f:Bi-Cl-Mo,88.0,"Invalid WP multiplicities - AB15C6_mC176_15_f_57f_23f:Bi-Cl-Mo, expected BiMo23Cl57 to be Bi(Mo2Cl5)3" +mp-620029,MoCl2,-6.1917856,-1.3442111233,0.0,-0.1982253511,GGA,Cmce,A2B_oC72_64_df2g_d2f:Cl-Mo,36.0,"Invalid WP multiplicities - A2B_oC72_64_4d4f10g_4d5f:Cl-Mo, expected Mo9Cl28 to be MoCl2" +mp-1104558,Bi10Mo3,-5.1462386685,0.3108260723,0.3108260723,0.3108260723,GGA,C2/m,A10B3_mC26_12_5i_ai:Bi-Mo,13.0,A10B3_mC26_12_5i_ai:Bi-Mo +mp-22853,MoCl3,-5.3870490162,-1.2892339937,0.0343831258,0.0343831258,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Mo,8.0,A3B_mC16_12_ij_g:Cl-Mo +mp-1221495,MoCl3,-5.3682948094,-1.2704797869,0.0531373327,0.0531373327,GGA,C2/m,A3B_mC32_12_2i2j_gh:Cl-Mo,16.0,A3B_mC32_12_2i2j_gh:Cl-Mo +mp-568394,MoCl3,-5.3863294963,-1.2885144738,0.0351026458,0.0351026458,GGA,C2/c,A3B_mC32_15_3f_2e:Cl-Mo,16.0,"Invalid WP multiplicities - A3B_mC32_15_10f_2e:Cl-Mo, expected MoCl10 to be MoCl3" +mp-684640,MoCl3,-5.3807080534,-1.2828930309,0.0407240886,0.0407240886,GGA,P-31c,A3B_hP32_163_2i_acf:Cl-Mo,32.0,"Invalid WP multiplicities - A3B_hP32_163_21i_a2c2f:Cl-Mo, expected MoCl18 to be MoCl3" +mp-22908,BiCl3,-3.7508223762,-1.4042975987,0.0,-0.8514920993,GGA,Pnma,AB3_oP16_62_c_cd:Bi-Cl,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:Bi-Cl, expected BiCl5 to be BiCl3" +mp-569436,MoCl5,-4.6499211817,-1.3018656133,0.0011575025,-0.0260283726,GGA,P-1,A5B_aP12_2_5i_i:Cl-Mo,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_i:Cl-Mo, expected MoCl9 to be MoCl5" +mp-1427168,MoCl5,-1.1616605925,2.1863949758,3.4894180917,3.4622322165,GGA,P-1,A5B_aP12_2_5i_i:Cl-Mo,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_i:Cl-Mo, expected MoCl9 to be MoCl5" +mp-571256,MoCl5,-4.6484420156,-1.3003864472,0.0026366686,-0.0245492065,GGA,C2/m,A5B_mC72_12_3i6j_gj:Cl-Mo,36.0,"Invalid WP multiplicities - A5B_mC72_12_6i23j_gj:Cl-Mo, expected Mo3Cl52 to be MoCl5" +mp-29147,MoCl5,-4.6315877029,-1.2835321346,0.0194909812,-0.0076948939,GGA,P2_1/c,A5B_mP48_14_10e_2e:Cl-Mo,48.0,A5B_mP48_14_10e_2e:Cl-Mo +mp-569855,MoCl5,-4.6510786842,-1.3030231158,0.0,-0.0271858751,GGA,Pnma,A5B_oP48_62_2c4d_d:Cl-Mo,48.0,"Invalid WP multiplicities - A5B_oP48_62_7c23d_d:Cl-Mo, expected Mo2Cl53 to be MoCl5" +mp-1221436,MoCl6,-4.3877674414,-1.25392886,0.0002599619,-0.1370519036,GGA,P-31m,A6B_hP7_162_k_a:Cl-Mo,7.0,A6B_hP7_162_k_a:Cl-Mo +mp-1221487,MoCl6,-4.3880274033,-1.2541888219,0.0,-0.1373118655,GGA,P-3m1,A6B_hP21_164_3i_ad:Cl-Mo,21.0,A6B_hP21_164_3i_ad:Cl-Mo +mp-582968,Bi6Cl7,-3.7884633374,-1.0205639989,0.0,-0.0123503383,GGA,Pnnm,A6B7_oP104_58_6g3h_e7g3h:Bi-Cl,104.0,"Invalid WP multiplicities - A6B7_oP104_58_21g20h_4e26g20h:Bi-Cl, expected Bi61Cl70 to be Bi6Cl7" +mp-32625,MoCl4,-4.9476522483,-1.2996928983,0.011567819,0.011567819,GGA,P2/c,A4B_mP30_13_6g_2ef:Cl-Mo,30.0,"Invalid WP multiplicities - A4B_mP30_13_21g_4ef:Cl-Mo, expected Mo5Cl42 to be MoCl4" +mp-569005,MoCl4,-4.954104377,-1.306145027,0.0051156903,0.0051156903,GGA,P-31m,A4B_hP30_162_2kl_i:Cl-Mo,30.0,"Invalid WP multiplicities - A4B_hP30_162_10k8l_i:Cl-Mo, expected MoCl26 to be MoCl4" +mp-1221517,MoCl4,-4.8707074613,-1.2227481113,0.088512606,0.088512606,GGA,P-31m,A4B_hP15_162_2k_ad:Cl-Mo,15.0,"Invalid WP multiplicities - A4B_hP15_162_3k_ad:Cl-Mo, expected MoCl6 to be MoCl4" +mp-1189810,Bi3Mo,-5.2901945187,0.3015848562,0.3015848562,0.3015848562,GGA,P2_1/m,A3B_mP16_11_6e_2e:Bi-Mo,16.0,A3B_mP16_11_6e_2e:Bi-Mo +mp-1105985,Bi14Mo5,-5.3989719074,0.2849806384,0.2849806384,0.2849806384,GGA,C2/m,A14B5_mC38_12_7i_a2i:Bi-Mo,19.0,A14B5_mC38_12_7i_a2i:Bi-Mo +mp-1190719,Bi8Mo3,-5.4314472677,0.3195403114,0.3195403114,0.3195403114,GGA,P2_1/m,A8B3_mP22_11_8e_3e:Bi-Mo,22.0,A8B3_mP22_11_8e_3e:Bi-Mo +mp-973992,Ho3Pb,-4.61741269,-0.25244427,0.0985190613,0.0985190613,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Pb,4.0,A3B_tI8_139_ad_b:Ho-Pb +mp-31089,Ho2Pd2Pb,-5.491576401,-0.844130715,0.0,-0.077348203,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Ho-Pb-Pd +mp-30730,Ho5Pb3,-4.7826931919,-0.5264449969,0.0,-0.0943707216,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Pb,16.0,A5B3_hP16_193_dg_g:Ho-Pb +mp-1386,HoPb3,-4.1886984525,-0.2586109325,0.0,-0.028171319,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Pb,4.0,AB3_cP4_221_a_c:Ho-Pb +mp-1206634,HoPd2Pb,-5.36960677,-0.70590188,0.0107305122,0.0107305122,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Ho-Pb-Pd +mp-1203932,Ho5Pb4,-4.7079361,-0.51208803,0.0,-0.0352419339,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ho-Pb,36.0,A5B4_oP36_62_c2d_2cd:Ho-Pb +mp-865315,Lu2MgOs,-5.6887642,-0.22137707,0.0453129375,0.0453129375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Mg-Os,4.0,A2BC_cF16_225_c_a_b:Lu-Mg-Os +mp-865010,HfGaRu2,-8.49636387,-0.6128413369,0.0,-0.0433633581,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hf-Ru,4.0,ABC2_cF16_225_a_b_c:Ga-Hf-Ru +mp-1104805,Dy5Ir2,-6.4766443536,-0.6608154164000001,0.0,-0.0115447232,GGA,C2/c,A5B2_mC28_15_e2f_f:Dy-Ir,14.0,A5B2_mC28_15_e2f_f:Dy-Ir +mp-1184064,Dy3Tm,-4.5478026975,0.0262462883,0.0262462883,0.0262462883,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Tm,4.0,A3B_cP4_221_c_a:Dy-Tm +mp-1200226,Dy5Ir3,-7.0077573672,-0.8141027747,0.0,-0.0394178433,GGA,P4/ncc,A5B3_tP32_130_bg_cf:Dy-Ir,32.0,A5B3_tP32_130_bg_cf:Dy-Ir +mp-1188160,Dy5Ir3,-6.9689745669,-0.7753199744,0.0387828003,-0.000635043,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Ir,16.0,A5B3_hP16_193_dg_g:Dy-Ir +mp-1184143,DyTm3,-4.50030569,0.0082675875,0.0082675875,0.0082675875,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Tm,8.0,AB3_hP8_194_c_h:Dy-Tm +mp-1204219,Dy3Ir2,-7.1060141716,-0.8065683956,0.0087532863,0.0087532863,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Dy-Ir,70.0,A3B2_tI140_140_bgh2m_acfh2l:Dy-Ir +mp-1212870,Dy4Ir,-5.348961278,0.10415503,0.5708253185000001,0.5708253185000001,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Ir,10.0,A4B_cF40_227_e_a:Dy-Ir +mp-1184120,DyTmIr2,-7.573702855,-0.8838301992,0.0052492753,0.0052492753,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ir-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-Ir-Tm +mp-1105615,Dy3Ir,-6.2480365356,-0.5833378606,0.0,-0.0051243712,GGA,Pnma,A3B_oP16_62_cd_c:Dy-Ir,16.0,A3B_oP16_62_cd_c:Dy-Ir +mp-1358,DyIr2,-8.256208425,-0.8283233583,0.0,-0.3033177289,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Ir,6.0,AB2_cF24_227_a_d:Dy-Ir +mp-2417,DyIr3,-8.21753961,-0.437017265,0.1842252538,0.1842252538,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Ir,4.0,AB3_cP4_221_a_c:Dy-Ir +mp-590,NiAs,-5.504984405,-0.2853568625,0.0063543546,0.0063543546,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Ni,4.0,AB_hP4_194_c_a:As-Ni +mp-2347,NiAs,-5.1673662725,0.05226127,0.3439724871,0.3439724871,GGA,P6_3/mmc,AB_hP4_194_a_c:As-Ni,4.0,AB_hP4_194_a_c:As-Ni +mp-19768,NiAsRh,-6.33568505,-0.401164065,0.0,-0.0388893452,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Ni-Rh,6.0,ABC_tP6_129_c_a_c:As-Ni-Rh +mp-976930,Ni3As,-5.6293550413,-0.12947293,0.080896846,0.080896846,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Ni,8.0,AB3_hP8_194_c_h:As-Ni +mp-1220148,NiAs2Rh3,-6.5309813583,-0.3324318417,0.09838036,0.09838036,GGA,Pmc2_1,A2BC3_oP12_26_ab_a_a2b:As-Ni-Rh,12.0,A2BC3_oP12_26_ab_a_a2b:As-Ni-Rh +mp-1100786,Ni11As8,-5.6155916979,-0.3074627126,0.0002225728,-0.038660578,GGA,C2/c,A8B11_mC76_15_2e3f_e5f:As-Ni,38.0,A8B11_mC76_15_2e3f_e5f:As-Ni +mp-28227,Ni11As8,-5.6158142707,-0.3076852854,0.0,-0.0388831507,GGA,P4_12_12,A8B11_tP76_92_2a3b_a5b:As-Ni,76.0,A8B11_tP76_92_2a3b_a5b:As-Ni +mp-19814,NiAs2,-5.288492935,-0.2557017717,0.0022864125,-0.0654638633,GGA,Pnnm,A2B_oP6_58_g_a:As-Ni,6.0,A2B_oP6_58_g_a:As-Ni +mp-505510,NiAs2,-5.2907793475,-0.2579881842,0.0,-0.0677502758,GGA,Pbca,A2B_oP24_61_2c_c:As-Ni,24.0,A2B_oP24_61_2c_c:As-Ni +mp-21873,NiAs2,-5.2725636567,-0.2397724933,0.0182156908,-0.049534585,GGA,Pa-3,A2B_cP12_205_c_a:As-Ni,12.0,A2B_cP12_205_c_a:As-Ni +mp-941,Ni5As2,-5.7002683455,-0.2404226012,0.0,-0.0316361575,GGA,P6_3cm,A2B5_hP42_185_abc_ab4c:As-Ni,42.0,A2B5_hP42_185_abc_ab4c:As-Ni +mp-1212912,Dy5Ni2Bi,-5.2653450788,-0.4610079925,0.0011955742,0.0011955742,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Dy-Ni,16.0,AB5C2_tI32_140_a_cl_h:Bi-Dy-Ni +mp-1220533,NiBi,-4.8537859484,-0.0434730434,0.0,-0.0024927039,GGA,Cm,AB_mC64_8_8a4b_8a4b:Bi-Ni,32.0,"Invalid WP multiplicities - AB_mC64_8_8a8b_8a6b:Bi-Ni, expected Ni5Bi6 to be NiBi" +mp-999318,NiBi,-4.8511939225,-0.0408810175,0.0025920259,9.93221e-05,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Ni,4.0,AB_hP4_194_c_a:Bi-Ni +mp-22861,NiBi,-4.551050225,0.25926268,0.3027357234,0.3002430196,GGA,P6_3/mmc,AB_hP4_194_a_c:Bi-Ni,4.0,AB_hP4_194_a_c:Bi-Ni +mp-22907,DyBi,-5.098242655,-0.87460467,0.0,-0.314006153,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Dy,2.0,AB_cF8_225_a_b:Bi-Dy +mp-30452,DyNiBi,-5.4310026867,-0.6885318033000001,0.0,-0.0860988071,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Dy-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Dy-Ni +mp-31464,Dy5Bi3,-5.020173345,-0.7007481463,0.0,-0.0447946438,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Dy,32.0,A3B5_oP32_62_cd_3cd:Bi-Dy +mp-1198474,Dy5Bi3,-5.0124697009,-0.6930445022,0.0077036441,-0.0370909997,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Dy,32.0,A3B5_oP32_62_cd_3cd:Bi-Dy +mp-1080746,Dy(NiBi)2,-5.018979727,-0.249372035,0.1811362644,0.1811362644,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Bi-Dy-Ni,10.0,A2BC2_tP10_129_ac_c_bc:Bi-Dy-Ni +mp-1225392,Dy4Ni3Bi8,-4.9267685073,-0.4940038113,0.0357292267,0.0357292267,GGA,P-4m2,A8B4C3_tP15_115_ef2g_2g_abc:Bi-Dy-Ni,15.0,"Invalid WP multiplicities - A8B4C3_tP15_115_ef3g_3g_abc:Bi-Dy-Ni, expected Dy6Ni3Bi10 to be Dy4Ni3Bi8" +mp-1184068,Dy3Bi,-4.7645145175,-0.349302105,0.1178633258,0.1178633258,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Dy,4.0,AB3_cP4_221_a_c:Bi-Dy +mp-23179,NiBi3,-4.3868715269,-0.0614705094,0.0,-0.0397339877,GGA,Pnma,A3B_oP16_62_3c_c:Bi-Ni,16.0,A3B_oP16_62_3c_c:Bi-Ni +mp-976799,Ni3Bi,-5.1435209475,0.151703845,0.1734403667,0.1734403667,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Ni,4.0,AB3_cP4_221_a_c:Bi-Ni +mp-1209970,Nd4Ir,-5.456638193,0.125566589,0.486761621,0.486761621,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Nd,10.0,AB4_cF40_227_a_e:Ir-Nd +mp-30522,Nd5Ir3,-6.9185588838,-0.6240539209,0.0,-0.0648966479,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Nd,32.0,A3B5_tP32_130_cf_bg:Ir-Nd +mp-1104605,Nd5Ir2,-6.443249705,-0.5121632018,0.0,-0.0113665172,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Nd,14.0,A2B5_mC28_15_f_e2f:Ir-Nd +mp-1104303,La3Ir2,-7.184880306,-0.6879023710000001,0.0,-0.0112676617,GGA,R-3,A2B3_hR45_148_f_acf:Ir-La,15.0,A2B3_hR45_148_f_acf:Ir-La +mp-1190236,La2Ir7,-8.4432464639,-0.4720183006,0.0201866472,0.0201866472,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ir-La,18.0,A7B2_hR54_166_a2cdh_2c:Ir-La +mp-1195853,La2Ir7,-8.4483375217,-0.4771093583,0.0150955894,0.0150955894,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ir-La,36.0,A7B2_hP36_194_aefhk_2f:Ir-La +mp-1185150,La3Nd,-4.873539225,0.0205029619,0.0205029619,0.0205029619,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Nd,4.0,A3B_tI8_139_ad_b:La-Nd +mp-569264,NdIr5,-8.4382426583,-0.2781896029,0.0781460167,0.0781460167,GGA,P6/mmm,A5B_hP6_191_cg_a:Ir-Nd,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Ir-Nd, expected NdIr13 to be NdIr5" +mp-890,NdIr2,-8.19434317,-0.7126712392,0.0,-0.1600160808,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Nd,6.0,A2B_cF24_227_c_b:Ir-Nd +mp-1188750,Nd2Ir7,-8.3878090378,-0.4538830239,0.0212311356,0.0212311356,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ir-Nd,18.0,A7B2_hR54_166_a2cdh_2c:Ir-Nd +mp-1104396,La5Ir2,-6.609558155,-0.5585718857,0.0,-0.0005210554,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-La,14.0,A2B5_mC28_15_f_e2f:Ir-La +mp-1185040,LaNdIr2,-7.42075421,-0.5754984856,0.1099729026,0.1099729026,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-La-Nd,4.0,A2BC_cF16_225_c_a_b:Ir-La-Nd +mp-1199235,La5Ir3,-7.0702701506,-0.6708528925,0.0,-0.008465282,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-La,32.0,A3B5_tP32_130_cf_bg:Ir-La +mp-1211489,La4Ir,-5.730383329,-0.013890809,0.377109511,0.377109511,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-La,10.0,AB4_cF40_227_a_e:Ir-La +mp-1188506,La3Ir,-6.4001834575,-0.4885695838,0.0001808163,0.0001808163,GGA,Pnma,AB3_oP16_62_c_cd:Ir-La,16.0,AB3_oP16_62_c_cd:Ir-La +mp-1189686,Nd3Ir,-6.2372129094,-0.45149379,0.0,-0.0033509884,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Nd,16.0,AB3_oP16_62_c_cd:Ir-Nd +mp-1384,LaIr5,-8.4924555417,-0.3044258742,0.0647278367,0.0647278367,GGA,P6/mmm,A5B_hP6_191_cg_a:Ir-La,6.0,A5B_hP6_191_cg_a:Ir-La +mp-1101882,NdIr3,-8.353118005,-0.5322555119,0.0022479175,0.0022479175,GGA,R-3m,A3B_hR36_166_ach_bc:Ir-Nd,12.0,A3B_hR36_166_ach_bc:Ir-Nd +mp-1996,NdIr3,-7.99688915,-0.1760266569,0.3584767725,0.3584767725,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Nd,4.0,A3B_cP4_221_c_a:Ir-Nd +mp-1463,LaIr2,-8.2759325767,-0.7383074217000001,0.0,-0.1591976943,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-La,6.0,A2B_cF24_227_c_b:Ir-La +mp-1105837,La7Ir3,-6.6925785565,-0.585843329,0.0,-0.0093064822,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ir-La,20.0,A3B7_hP20_186_c_b2c:Ir-La +mp-1185124,LaNd3,-4.7903550975,0.0197572531,0.0197572531,0.0197572531,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Nd,4.0,AB3_tI8_139_a_bd:La-Nd +mp-977225,LaNd3,-4.7760949113,0.0340174394,0.0340174394,0.0340174394,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Nd,8.0,AB3_hP8_194_c_h:La-Nd +mp-1185074,LaNd3,-4.793966155,0.0161461956,0.0161461956,0.0161461956,GGA,Pm-3m,AB3_cP4_221_a_c:La-Nd,4.0,AB3_cP4_221_a_c:La-Nd +mp-1102848,LaIr3,-8.4079394375,-0.5451120262,0.00861854,0.00861854,GGA,R-3m,A3B_hR36_166_ach_bc:Ir-La,12.0,A3B_hR36_166_ach_bc:Ir-La +mp-1212862,GdIn2Cl5,-5.5478775975,-1.9451059725,0.0,-0.034313833,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Gd-In,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Gd-In +mp-23265,GdCl3,-7.606390217499999,-2.7009571625,0.0,-1.3222632013,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Gd,8.0,A3B_hP8_176_h_c:Cl-Gd +mp-656152,Gd2Cl3,-8.941987886,-2.202416994,0.003493344,-0.041651264,GGA,Cm,A3B2_mC20_8_6a_4a:Cl-Gd,10.0,A3B2_mC20_12_3i_2i:Cl-Gd +mp-1078829,Gd2Cl3,-8.94548123,-2.205910338,0.0,-0.045144608,GGA,C2/m,A3B2_mC20_12_3i_2i:Cl-Gd,10.0,A3B2_mC20_12_3i_2i:Cl-Gd +mp-1184482,GdCl,-9.568972805,-1.606643355,0.23161526,0.23161526,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Gd,4.0,AB_hP4_186_b_b:Cl-Gd +mp-1092318,TmInAu,-4.2242792244,-0.7238121733,0.0,-0.0390752044,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Tm,9.0,ABC_hP9_189_ad_g_f:Au-In-Tm +mp-568247,TmAu3,-4.2993793688,-0.7250090129,0.0,-0.0124914713,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Tm,8.0,"Invalid WP multiplicities - A3B_oP8_59_2a2e_b:Au-Tm, expected TmAu6 to be TmAu3" +mp-1068348,TmAu4,-4.12052701,-0.6062543253,0.0,-0.026247115,GGA,I4/m,A4B_tI10_87_h_a:Au-Tm,5.0,A4B_tI10_87_h_a:Au-Tm +mp-1078625,Tm2InAu2,-4.461031268,-0.8108075527,0.0,-0.0145052963,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Tm,10.0,A2BC2_tP10_127_g_a_h:Au-In-Tm +mp-1208212,Tm2InAu2,-4.240825635,-0.5906019197,0.220205633,0.2057003367,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Au-In-Tm,20.0,A2BC2_tP10_127_h_a_g:Au-In-Tm +mp-1188482,Tm2InAu2,-4.458683088,-0.8084593727,0.00234818,-0.0121571163,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-In-Tm,20.0,A2BC2_tP20_136_j_d_fg:Au-In-Tm +mp-568830,TmInAu2,-4.1396793925,-0.6958586042,0.0,-0.0129168272,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Tm,4.0,A2BC_cF16_225_c_a_b:Au-In-Tm +mp-1095690,Tm2Au,-4.7376834042,-0.6624991219,0.0,-0.0591408681,GGA,Pnma,AB2_oP12_62_c_2c:Au-Tm,12.0,AB2_oP12_62_c_2c:Au-Tm +mp-560,TmAu2,-4.5641560433,-0.8896229022000001,0.0,-0.1046044333,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Tm,3.0,A2B_tI6_139_e_a:Au-Tm +mp-1017507,TmAu,-4.7798960925,-0.9050373808,0.0,-0.1289763688,GGA,Cmcm,AB_oC8_63_c_c:Au-Tm,4.0,AB_oC8_63_c_c:Au-Tm +mp-447,TmAu,-4.770081595,-0.8952228833,0.0098144975,-0.1191618713,GGA,Pm-3m,AB_cP2_221_a_b:Au-Tm,2.0,AB_cP2_221_a_b:Au-Tm +mp-568552,LuNi4Sn,-5.68848366,-0.4133054775,0.0014790053,0.0014790053,GGA,F-43m,AB4C_cF24_216_a_e_c:Lu-Ni-Sn,6.0,AB4C_cF24_216_a_e_c:Lu-Ni-Sn +mp-11492,LuNi2Sn,-5.53913518,-0.5164362462000001,0.0179266927,0.0179266927,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Lu-Ni-Sn +mp-30771,Lu6Ni2Sn,-5.1894996161,-0.4455498011,0.0,-0.014193078,GGA,Immm,A6B2C_oI36_71_lmn_fg_ab:Lu-Ni-Sn,18.0,"Invalid WP multiplicities - A6B2C_oI36_71_l2mn_fg_ab:Lu-Ni-Sn, expected Lu8Ni2Sn to be Lu6Ni2Sn" +mp-865201,LuNi5Sn,-5.7279343204,-0.3806192096,0.0,-0.0141373204,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Lu-Ni-Sn,28.0,AB5C_oP28_62_c_3cd_c:Lu-Ni-Sn +mp-7736,LuNiSn2,-5.0941688417,-0.5141111142,0.0,-0.0171464918,GGA,Pnma,ABC2_oP48_62_3c_3c_6c:Lu-Ni-Sn,48.0,"Invalid WP multiplicities - ABC2_oP48_62_3c_4c_8c:Lu-Ni-Sn, expected Lu3(NiSn2)4 to be LuNiSn2" +mp-31136,Lu2NiSn6,-4.7106500444,-0.3907090611,0.004757058,0.004757058,GGA,Cmmm,A2BC6_oC18_65_h_a_2gh:Lu-Ni-Sn,9.0,A2BC6_oC18_65_h_a_2gh:Lu-Ni-Sn +mp-31433,LuNiSn4,-4.688907855,-0.299012085,0.0437286578,0.0437286578,GGA,Cmmm,ABC4_oC24_65_g_h_acg2h:Lu-Ni-Sn,12.0,ABC4_oC24_65_g_h_acg2h:Lu-Ni-Sn +mp-977588,LuNiSn,-5.42416108,-0.653941395,0.0,-0.1034987556,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Lu-Ni-Sn +mp-861886,LiDyHg2,-2.223486315,-0.4427187058,0.0,-0.0126559,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Li +mp-568931,YbNiSb,-4.5314443067,-0.7151955733,0.0,-0.0226450704,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Yb,,ABC_cF12_216_c_a_b:Ni-Sb-Yb +mp-1215858,Yb2NiSb2,-4.181394026,-0.757922882,0.077812914,0.077812914,GGA,R3m,AB2C2_hR15_160_a_2a_2a:Ni-Sb-Yb,,AB2C2_hR15_160_a_2a_2a:Ni-Sb-Yb +mp-976076,NaAc2Sn,-3.6721441275,-0.2785323366,0.0,-0.0154274768,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Na-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Na-Sn +mp-976031,NaAc,-2.54579647,0.1760536805,0.1760536805,0.1760536805,GGA,P-6m2,AB_hP2_187_a_d:Ac-Na,2.0,AB_hP2_187_a_d:Ac-Na +mp-1186103,NaAc3,-3.216957285,0.204555294,0.204555294,0.204555294,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Na,4.0,A3B_cP4_221_c_a:Ac-Na +mp-1186105,NaAc3,-3.21382005,0.207692529,0.207692529,0.207692529,GGA,Fm-3m,A3B_cF16_225_ac_b:Ac-Na,4.0,A3B_cF16_225_ac_b:Ac-Na +mp-5519,HoGeAu,-4.9812990367,-0.8215261283,0.0,-0.0750527289,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Ho,6.0,ABC_hP6_186_b_b_a:Au-Ge-Ho +mp-13308,HoGeAu,-4.90669852,-0.7469256117,0.0746005167,-0.0004522122,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Ge-Ho,3.0,ABC_cF12_216_c_a_b:Au-Ge-Ho +mp-1224077,Ho2Ge3,-5.080576424,-0.473796163,0.2600390393,0.2600390393,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Ho,5.0,A3B2_hP5_187_abc_i:Ge-Ho +mp-1224335,GeAu3,-3.5290037075000003,0.0821647563,0.0821647563,0.0821647563,GGA,P-6m2,A3B_hP4_187_ah_b:Au-Ge,4.0,A3B_hP4_187_ah_b:Au-Ge +mp-1184712,GeAu3,-3.5395555013,0.0716129625,0.0716129625,0.0716129625,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Ge,8.0,A3B_hP8_194_h_c:Au-Ge +mp-1184584,GeAu3,-3.5486277875,0.0625406762,0.0625406762,0.0625406762,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Ge,4.0,A3B_cF16_225_ac_b:Au-Ge +mp-16342,HoGe,-5.4647261275,-0.8620077650000001,0.0,-0.0338256145,GGA,Cmcm,AB_oC8_63_c_c:Ge-Ho,4.0,AB_oC8_63_c_c:Ge-Ho +mp-29774,Ho14Ge23,-5.305023922,-0.6973654127000001,0.0025562179,0.0025562179,GGA,C222_1,A23B14_oC148_20_a11c_ab6c:Ge-Ho,74.0,A23B14_oC148_20_a11c_ab6c:Ge-Ho +mp-9994,Ho11Ge10,-5.4464442562,-0.8446930124,0.0108666582,0.0108666582,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Ho,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Ho +mp-1106032,Ho5Ge3,-5.3961917563,-0.7985507669,0.0,-0.083926401,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Ho,16.0,A3B5_hP16_193_g_dg:Ge-Ho +mp-1675,Ho3Ge4,-5.3842692836,-0.778649565,0.0,-0.0122904457,GGA,Cmcm,A4B3_oC28_63_acf_cf:Ge-Ho,14.0,A4B3_oC28_63_acf_cf:Ge-Ho +mp-1196008,Ho5Ge4,-5.4474239636,-0.8469622114,0.0,-0.0131575567,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Ho,36.0,A4B5_oP36_62_2cd_c2d:Ge-Ho +mp-542748,Ho3Ge5,-5.3024183706,-0.694622635,0.0,-0.0034836992,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Ho,16.0,A5B3_oF64_43_a2b_ab:Ge-Ho +mp-1184646,Ge3Au,-4.04727725,0.2384641413,0.2384641413,0.2384641413,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Ge,4.0,AB3_tI8_139_a_bd:Au-Ge +mp-1025422,HoGe3,-5.0607158975,-0.4478427888,0.0152389679,0.0152389679,GGA,Cmcm,A3B_oC16_63_3c_c:Ge-Ho,8.0,A3B_oC16_63_3c_c:Ge-Ho +mp-1228098,Ho6Ge11,-5.1431678591,-0.5344761165,0.1192863635,0.1192863635,GGA,P1,A11B6_aP34_1_22a_12a:Ge-Ho,34.0,A11B6_aP34_1_22a_12a:Ge-Ho +mp-15514,NaSe2,-3.6544908358,-0.8830414196,0.0,-0.1755550966,GGA,I-42d,AB2_tI48_122_cd_2e:Na-Se,24.0,AB2_tI48_122_cd_2e:Na-Se +mp-1212318,Na(YbSe2)3,-2.519363401,0.1723184989,1.8302927905,1.8302927905,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Na-Se-Yb,,AB6C3_oC20_65_a_kp_de:Na-Se-Yb +mp-1186096,Na3Yb,-1.285159505,0.0916365351,0.0916365351,0.0916365351,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Yb,,A3B_hP8_194_h_c:Na-Yb +mp-1186084,Na3Yb,-1.2703172425,0.1064787976,0.1064787976,0.1064787976,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Yb,,A3B_cP4_221_c_a:Na-Yb +mp-1186089,Na3Yb,-1.276114615,0.1006814251,0.1006814251,0.1006814251,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Yb,,A3B_cF16_225_ac_b:Na-Yb +mp-15668,NaSe,-3.47044787,-1.0612294844,0.0,-0.0100852571,GGA,P6_3/mmc,AB_hP8_194_ac_f:Na-Se,8.0,AB_hP8_194_ac_f:Na-Se +mp-1059357,NaSe,-3.062685005,-0.6534666194000001,0.407762865,0.3976776079,GGA,Fm-3m,AB_cF8_225_a_b:Na-Se,2.0,AB_cF8_225_a_b:Na-Se +mp-10988,NaYbSe2,-3.9582029875,-1.4947138553,0.196785775,0.196785775,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-Se-Yb,,AB2C_hR12_166_a_c_b:Na-Se-Yb +mp-1186204,NaYb3,-1.413460145,0.0718773884,0.0718773884,0.0718773884,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Yb,,AB3_hP8_194_c_h:Na-Yb +mp-980189,NaYb3,-1.400230325,0.0851072084,0.0851072084,0.0851072084,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Yb,,AB3_cF16_225_a_bc:Na-Yb +mp-1266,Na2Se,-3.26623439,-1.2192470351,0.0,-0.5117607122,GGA,Fm-3m,A2B_cF12_225_c_a:Na-Se,3.0,A2B_cF12_225_c_a:Na-Se +mp-30763,LiPd2Pb,-4.4152042975,-0.4198709083,0.0,-0.0516278213,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Li-Pb-Pd +mp-1096683,LiPdPb2,-2.35102695,1.2774977542,1.5726418562,1.5726418562,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pb-Pd,4.0,AB2C_oI8_71_a_e_b:Li-Pb-Pd +mp-1222614,Li2PdPb,-3.61414724,-0.4365535867,0.0,-0.0618611202,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pb-Pd,4.0,A2BC_cF16_216_ac_b_d:Li-Pb-Pd +mp-861651,Li2PdPb,-3.5567195075,-0.3791258542,0.0574277325,-0.0044333877,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Pd,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Pd +mp-2684,TbGa2,-4.2208747067,-0.657355325,0.0,-0.0350570448,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Tb,3.0,A2B_hP3_191_c_b:Ga-Tb +mp-1208775,TbGa6,-1.6640724607,1.5934907157,1.9028529446,1.9028529446,GGA,P4/mmm,A6B_tP14_123_is_e:Ga-Tb,14.0,A6B_tP14_123_is_e:Ga-Tb +mp-1104458,TbGa6,-3.5658397057,-0.3082765293,0.0010856996,0.0010856996,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Tb,14.0,A6B_tP14_125_gm_c:Ga-Tb +mp-568053,Tb4Ga12Pt,-4.2233599818,-0.6383158647,0.0,-0.0411669597,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pt-Tb,17.0,"Invalid WP multiplicities - A12BC4_cI34_229_2d3e_a_c:Ga-Pt-Tb, expected Tb4Ga30Pt to be Tb4Ga12Pt" +mp-22251,TbGaPt,-5.6741748675,-1.09630972,0.0,-0.1417769301,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Tb,12.0,ABC_oP12_62_c_c_c:Ga-Pt-Tb +mp-1197692,Tb3Ga2,-4.5241463092,-0.5322882402,0.0,-0.0245291868,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Tb,40.0,A2B3_tI80_140_achl_ghm:Ga-Tb +mp-1104864,Tb3Pt4,-6.6666349486000005,-1.2112590086,0.0,-0.0173210279,GGA,R-3,A4B3_hR42_148_abf_f:Pt-Tb,14.0,A4B3_hR42_148_abf_f:Pt-Tb +mp-1079305,TbPt,-6.6193195675,-1.2665698575,0.0,-0.0941525517,GGA,Pnma,AB_oP8_62_c_c:Pt-Tb,8.0,AB_oP8_62_c_c:Pt-Tb +mp-7425,TbPt,-6.54116035,-1.18841064,0.0781592175,-0.0159933342,GGA,Pm-3m,AB_cP2_221_a_b:Pt-Tb,2.0,AB_cP2_221_a_b:Pt-Tb +mp-1198980,Tb5Pt4,-6.4151364014,-1.1422070925,0.0094846958,0.0094846958,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pt-Tb,36.0,A4B5_oP36_62_2cd_c2d:Pt-Tb +mp-1188342,Tb5Ga3,-4.5098379656,-0.4778231447,0.0211970805,0.0211970805,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ga-Tb,16.0,A3B5_tI32_140_ah_cl:Ga-Tb +mp-1208453,Tb3Pt,-5.6892307181,-0.6956728131000001,0.0,-0.0042210756,GGA,Pnma,AB3_oP16_62_c_cd:Pt-Tb,16.0,AB3_oP16_62_c_cd:Pt-Tb +mp-1208452,Tb4Pt,-4.948925116,-0.027205572,0.5293326785,0.5293326785,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Tb,10.0,AB4_cF40_227_a_e:Pt-Tb +mp-11551,Tb2Pt,-6.0352241567,-0.92193565,0.0,-0.0348910029,GGA,Pnma,AB2_oP12_62_c_2c:Pt-Tb,12.0,AB2_oP12_62_c_2c:Pt-Tb +mp-1697,TbPt2,-6.6893063917,-1.0970954783,0.0,-0.0051111037,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Tb,6.0,A2B_cF24_227_c_b:Pt-Tb +mp-1549,TbPt3,-6.699560585,-0.98761907,0.0,-0.1647974613,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Tb,4.0,A3B_cP4_221_c_a:Pt-Tb +mp-1103677,Tb3Ga9Pt2,-4.4838295643,-0.6768131970000001,0.0228384987,0.0228384987,GGA,Immm,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Tb,14.0,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Tb +mp-11417,TbGa,-4.45873375,-0.6275026887,0.0,-0.0372290131,GGA,Cmcm,AB_oC8_63_c_c:Ga-Tb,4.0,AB_oC8_63_c_c:Ga-Tb +mp-1217671,Tb6Ga19Pt3,-4.3265089611,-0.6281724972,0.0316098556,0.0316098556,GGA,Cm,A19B3C6_mC56_8_19a_3a_6a:Ga-Pt-Tb,28.0,A19B3C6_mC56_8_19a_3a_6a:Ga-Pt-Tb +mp-1197290,Tb3Ga5,-4.2932027716,-0.66275547,0.0,-0.0128633041,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ga-Tb,32.0,A5B3_oP32_62_3cd_cd:Ga-Tb +mp-867246,TbGa3,-3.97076665,-0.5411031081000001,0.0002807925,-0.0364697563,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Tb,8.0,A3B_hP8_194_h_c:Ga-Tb +mp-11418,TbGa3,-3.9710474425,-0.5413839006,0.0,-0.0367505488,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Tb,4.0,A3B_cP4_221_c_a:Ga-Tb +mp-1105543,Tb5Pt3,-6.1541163238,-0.9809625162,0.0271316856,0.0271316856,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Tb,16.0,A3B5_hP16_193_g_dg:Pt-Tb +mp-30437,CaSnPd,-4.5378361192,-0.8061516042,0.0,-0.1332098412,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Ca-Pd-Sn +mp-2450,CaSn,-3.6556970125,-0.648111145,0.0,-0.039486519,GGA,Cmcm,AB_oC8_63_c_c:Ca-Sn,4.0,AB_oC8_63_c_c:Ca-Sn +mp-11958,CaSn2Pd,-4.46746952,-0.66631317,0.0,-0.0382537505,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ca-Pd-Sn,8.0,ABC2_oC16_63_c_c_f:Ca-Pd-Sn +mp-568774,Ca36Sn23,-3.4403246337,-0.6535153397,0.0022643168,0.0022643168,GGA,P4/mbm,A36B23_tP118_127_3fgj3l_a3egh3k:Ca-Sn,118.0,"Invalid WP multiplicities - A36B23_tP118_127_11f3g8j37l_a11e4g4h18k:Ca-Sn, expected Ca356Sn111 to be Ca36Sn23" +mp-1097429,CaSnPd2,-2.87763464,1.2160991988,1.9289242536,1.9289242536,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Ca-Pd-Sn +mp-22735,Ca2Sn,-3.3208790808,-0.6472885425,0.0,-0.0708011204,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Sn,12.0,A2B_oP12_62_2c_c:Ca-Sn +mp-1009730,Ca2Sn,-3.2909373,-0.6173467617,0.0299417808,-0.0408593396,GGA,Fm-3m,A2B_cF12_225_c_a:Ca-Sn,3.0,A2B_cF12_225_c_a:Ca-Sn +mp-1183489,Ca3Sn,-2.94463538,-0.4380425062,0.0474239006,0.0474239006,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Sn,4.0,A3B_cP4_221_c_a:Ca-Sn +mp-31394,Ca7Sn6,-3.5701777587,-0.6396677363000001,0.011303027,0.011303027,GGA,Pnma,A7B6_oP52_62_c3d_2c2d:Ca-Sn,52.0,A7B6_oP52_62_c3d_2c2d:Ca-Sn +mp-1214016,Ca5Sn3,-3.4027992506,-0.64570988,0.0078408591,0.0078408591,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Sn,16.0,A5B3_tI32_140_cl_ah:Ca-Sn +mp-680302,Ca31Sn20,-3.4476005334,-0.6561292907,0.0,-0.0027280667,GGA,I4/mcm,A31B20_tI204_140_b2gh3m_ac2fh3l:Ca-Sn,102.0,"Invalid WP multiplicities - A31B20_tI204_140_2b8g4h35m_2a2c6f4h21l:Ca-Sn, expected Ca17Sn6 to be Ca31Sn20" +mp-11290,CaSn3,-3.91542327,-0.4068444088,0.0,-0.0827888362,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Sn,4.0,AB3_cP4_221_a_c:Ca-Sn +mp-1093967,Al2CuRh,-2.93635342,1.80231313,2.4604244486,2.4604244486,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Rh +mp-1214887,Al7Cu2Rh,-4.5581712605,-0.3799960585,0.0,-0.0095388032,GGA,P4/mnc,A7B2C_tP40_128_egi_h_e:Al-Cu-Rh,40.0,A7B2C_tP40_128_egi_h_e:Al-Cu-Rh +mp-1225704,CuRh,-5.65844161,0.07331566,0.07331566,0.07331566,GGA,R-3m,AB_hR6_166_a_b:Cu-Rh,2.0,AB_hR6_166_a_b:Cu-Rh +mp-1184028,Cu3Rh,-4.8747105425,0.0407714275,0.0407714275,0.0407714275,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Rh,4.0,A3B_tI8_139_ad_b:Cu-Rh +mp-1184027,Cu3Rh,-4.869611345,0.045870625,0.045870625,0.045870625,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Rh,8.0,A3B_hP8_194_h_c:Cu-Rh +mp-1097150,AlCuRh2,-3.2336631325,2.4096864275,2.954172375,2.954172375,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cu-Rh,4.0,ABC2_oI8_71_a_b_e:Al-Cu-Rh +mp-1183191,AlCuRh2,-6.1771211275,-0.5337715675,0.01071438,0.01071438,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Cu-Rh +mp-1184222,ErZnPd2,-4.8139162425,-0.7671097325,0.0172683142,0.0172683142,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Er-Pd-Zn +mp-1079852,ErZnPd,-4.4349366167,-0.7658218733000001,0.0,-0.0648532569,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Er-Pd-Zn +mp-864989,Mn2AlRe,-8.82716285,-0.1986294502,0.0,-0.0319710167,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-Re,4.0,AB2C_cF16_225_a_c_b:Al-Mn-Re +mp-1217177,Ti3Fe,-7.9976911975,0.0414331175,0.2518481933,0.2518481933,GGA,P-6m2,AB3_hP4_187_a_bh:Fe-Ti,4.0,AB3_hP4_187_a_bh:Fe-Ti +mp-1184336,FeIr3,-8.8194150675,-0.07308413,0.0,-0.07308413,GGA,I4/mmm,AB3_tI8_139_a_bd:Fe-Ir,4.0,AB3_tI8_139_a_bd:Fe-Ir +mp-1184374,FeIr3,-8.789606880000001,-0.0432759425,0.0298081875,-0.0432759425,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Ir,8.0,AB3_hP8_194_c_h:Fe-Ir +mp-10596,FeIr3,-8.7808935325,-0.034562595,0.038521535,-0.034562595,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Ir,4.0,AB3_cP4_221_a_c:Fe-Ir +mp-1217161,Ti4Fe,-8.014011864,-0.0036140087,0.164718052,0.164718052,GGA,Fmmm,AB4_oF20_69_a_2g:Fe-Ti,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Fe-Ti, expected Ti6Fe to be Ti4Fe" +mp-1216834,TiFe,-8.29640543,-0.1136488167,0.307181335,0.1354789319,GGA,Cmmm,AB_oC4_65_a_c:Fe-Ti,2.0,AB_oC4_65_a_c:Fe-Ti +mp-305,TiFe,-8.603586765,-0.4208301517,0.0,-0.1717024031,GGA,Pm-3m,AB_cP2_221_a_b:Fe-Ti,2.0,AB_cP2_221_a_b:Fe-Ti +mp-1192216,Ti2Fe,-8.3018720071,-0.2148702593,0.0656831751,0.0656831751,GGA,Fd-3m,AB2_cF96_227_e_cf:Fe-Ti,24.0,AB2_cF96_227_e_cf:Fe-Ti +mp-2454,TiFe2,-8.5618967167,-0.2833852378,0.0,-0.0028318033,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Ti,12.0,A2B_hP12_194_ah_f:Fe-Ti +mp-1216986,TiFe4,-8.229247458,0.1258679133,0.295899056,0.295899056,GGA,I4/mmm,A4B_tI10_139_2e_a:Fe-Ti,5.0,"Invalid WP multiplicities - A4B_tI10_139_3e_a:Fe-Ti, expected TiFe6 to be TiFe4" +mp-861672,Ti2FeIr,-8.942575325,-0.6677154692,0.0,-0.0284903925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ir-Ti,4.0,ABC2_cF16_225_a_b_c:Fe-Ir-Ti +mp-1224967,FeIr,-8.63942382,0.014803875,0.0635266283,0.0635266283,GGA,R-3m,AB_hR6_166_a_b:Fe-Ir,2.0,AB_hR6_166_a_b:Fe-Ir +mp-1097537,Ti2MnPt,-5.03312719,2.7229059714,3.3316929862,3.3316929862,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Pt-Ti,4.0,ABC2_oI8_71_a_b_e:Mn-Pt-Ti +mp-1217189,Ti5Mn7,-8.8752510925,-0.2409538318,0.019532749,0.019532749,GGA,P-3m1,A7B5_hP12_164_ai_b2d:Mn-Ti,12.0,A7B5_hP12_164_ai_b2d:Mn-Ti +mp-1949,TiMn2,-9.0119993058,-0.2721584389,0.0,-0.0793953734,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Ti,12.0,A2B_hP12_194_ah_f:Mn-Ti +mp-1208237,Ti5Mn3,-8.4219739881,-0.0515357432,0.1243482845,0.1243482845,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Mn-Ti,16.0,A3B5_hP16_193_g_dg:Mn-Ti +mp-1202079,Ti21Mn25,-8.8387242716,-0.2549043879,0.0,-0.0304132402,GGA,R-3c,A25B21_hR276_167_b2e3f_e3f:Mn-Ti,92.0,A25B21_hR276_167_b2e3f_e3f:Mn-Ti +mp-1221567,MnPt2,-7.29129064,-0.1898633293,0.1613061367,0.1613061367,GGA,P-3m1,AB2_hP3_164_a_d:Mn-Pt,3.0,AB2_hP3_164_a_d:Mn-Pt +mp-1670,MnPt,-7.962775905,-0.346201599,0.0,-0.08819856,GGA,P4/mmm,AB_tP2_123_a_d:Mn-Pt,2.0,AB_tP2_123_a_d:Mn-Pt +mp-1221545,MnPt,-7.62423537,-0.007661064,0.338540535,0.250341975,GGA,R-3m,AB_hR6_166_a_b:Mn-Pt,2.0,AB_hR6_166_a_b:Mn-Pt +mp-1180,MnPt3,-7.1975072125,-0.3536533995,0.0,-0.1805525999999999,GGA,Pm-3m,AB3_cP4_221_a_c:Mn-Pt,4.0,AB3_cP4_221_a_c:Mn-Pt +mp-1185931,Mn3Pt,-8.5516474775,-0.1623526784,0.010748121,0.010748121,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Pt,8.0,A3B_hP8_194_h_c:Mn-Pt +mp-30785,Mn3Pt,-8.3252732325,0.0640215666,0.237122366,0.237122366,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Pt,4.0,A3B_cP4_221_c_a:Mn-Pt +mp-982380,Li2Mg,-1.8407981117,-0.0347561839,0.0077953817,0.0077953817,GGA,Cm,A2B_mC12_8_4a_2a:Li-Mg,6.0,A2B_mC12_8_4a_2a:Li-Mg +mp-976843,Li2Mg,-1.8380467717,-0.0320048439,0.0105467217,0.0105467217,GGA,C2/m,A2B_mC12_12_2i_i:Li-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Li-Mg, expected Li3Mg to be Li2Mg" +mp-1094601,Li2Mg,-1.8427406317,-0.0366987039,0.0058528617,0.0058528617,GGA,C2/m,A2B_mC12_12_2i_i:Li-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Li-Mg, expected Li3Mg to be Li2Mg" +mp-1094607,Li2Mg,-1.836327105,-0.0302851772,0.0122663883,0.0122663883,GGA,C2/c,A2B_mC12_15_f_e:Li-Mg,6.0,A2B_mC12_15_f_e:Li-Mg +mp-1094562,Li2Mg,-1.8238362917,-0.0177943639,0.0247572017,0.0247572017,GGA,Amm2,A2B_oC12_38_a3b_2a:Li-Mg,6.0,A2B_oC12_38_a3b_2a:Li-Mg +mp-976982,Li2Mg,-1.8321014233,-0.0260594956,0.01649207,0.01649207,GGA,Cmcm,A2B_oC12_63_2c_c:Li-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Li-Mg, expected Li4Mg to be Li2Mg" +mp-977218,Li2Mg,-1.815050805,-0.0090088772,0.0335426883,0.0335426883,GGA,Cmcm,A2B_oC12_63_2c_c:Li-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Li-Mg, expected Li3Mg to be Li2Mg" +mp-1094586,Li2Mg,-1.83791579,-0.0318738622,0.0106777033,0.0106777033,GGA,Cmcm,A2B_oC12_63_g_c:Li-Mg,6.0,A2B_oC12_63_g_c:Li-Mg +mp-976885,Li2Mg,-1.8379144267,-0.0318724989,0.0106790667,0.0106790667,GGA,R32,A2B_hR18_155_ae_c:Li-Mg,6.0,A2B_hR18_155_ae_c:Li-Mg +mp-1094569,Li2Mg,-1.8072212017,-0.0011792739,0.0413722917,0.0413722917,GGA,P-3m1,A2B_hP6_164_2d_d:Li-Mg,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Li-Mg, expected Li3Mg to be Li2Mg" +mp-1094576,Li2Mg,-1.8349185783,-0.0288766506,0.013674915,0.013674915,GGA,P-62m,A2B_hP6_189_ag_c:Li-Mg,6.0,A2B_hP6_189_ag_c:Li-Mg +mp-977207,Li2Mg,-1.8254765983,-0.0194346706,0.023116895,0.023116895,GGA,P6_3/mmc,A2B_hP6_194_f_c:Li-Mg,6.0,A2B_hP6_194_f_c:Li-Mg +mp-1094609,LiMg5,-1.6626392433,-0.0109187239,0.0311383317,0.0311383317,GGA,Cm,AB5_mC12_8_a_5a:Li-Mg,6.0,AB5_mC12_8_a_5a:Li-Mg +mp-1094599,LiMg5,-1.691804365,-0.0400838456,0.00197321,0.00197321,GGA,Amm2,AB5_oC12_38_a_2a3b:Li-Mg,6.0,AB5_oC12_38_a_2a3b:Li-Mg +mp-1094588,LiMg5,-1.6470454233,0.0046750961,0.0467321517,0.0467321517,GGA,P-6m2,AB5_hP6_187_a_dgh:Li-Mg,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Li-Mg, expected LiMg9 to be LiMg5" +mp-1094558,LiMg5,-1.674386315,-0.0226657956,0.01939126,0.01939126,GGA,P-62m,AB5_hP6_189_a_cg:Li-Mg,6.0,AB5_hP6_189_a_cg:Li-Mg +mp-1023493,LiMg15,-1.623590035,-0.004019809,0.0284708671,0.0284708671,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Li-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Li-Mg, expected LiMg27 to be LiMg15" +mp-1094589,LiMg,-1.7870208117000002,-0.0324193533,0.0275663783,0.0155323973,GGA,C2,AB_mC12_5_ac_bc:Li-Mg,6.0,AB_mC12_5_ac_bc:Li-Mg +mp-976244,LiMg,-1.7951047433,-0.040503285,0.0194824467,0.0074484657,GGA,Cm,AB_mC12_8_3a_3a:Li-Mg,6.0,AB_mC12_8_3a_3a:Li-Mg +mp-1100190,LiMg,-1.78385512,-0.0292536617,0.03073207,0.018698089,GGA,Cm,AB_mC12_8_3a_3a:Li-Mg,6.0,AB_mC12_8_3a_3a:Li-Mg +mp-976262,LiMg,-1.7862249633,-0.031623505,0.0283622267,0.0163282457,GGA,C2/m,AB_mC12_12_ai_ci:Li-Mg,6.0,AB_mC12_12_a2i_d2i:Li-Mg +mp-1094568,LiMg,-1.7936939925000002,-0.0390925342,0.0208931975,0.0088592165,GGA,C2/m,AB_mC8_12_i_i:Li-Mg,4.0,AB_mC8_12_i_i:Li-Mg +mp-976239,LiMg,-1.80335651,-0.0487550517,0.01123068,-0.000803301,GGA,Amm2,AB_oC12_38_2ab_a2b:Li-Mg,6.0,AB_oC12_65_ah_cg:Li-Mg +mp-1094573,LiMg,-1.7941557433000002,-0.039554285,0.0204314467,0.0083974657,GGA,Amm2,AB_oC12_38_2ab_a2b:Li-Mg,6.0,AB_oC12_38_2ab_a2b:Li-Mg +mp-1094575,LiMg,-1.7900658133,-0.035464355,0.0245213767,0.0124873957,GGA,Amm2,AB_oC12_38_2ab_a2b:Li-Mg,6.0,AB_oC12_38_2ab_a2b:Li-Mg +mp-1094594,LiMg,-1.7854451917,-0.0308437333,0.0291419983,0.0171080173,GGA,Amm2,AB_oC12_38_ae_bd:Li-Mg,6.0,AB_oC12_38_ae_bd:Li-Mg +mp-1094675,LiMg,-1.792243545,-0.0376420867,0.022343645,0.010309664,GGA,Pmma,AB_oP4_51_e_f:Li-Mg,4.0,AB_oP4_51_e_f:Li-Mg +mp-1185370,LiMg,-1.8126361725,-0.0580347142,0.0019510175,-0.0100829635,GGA,Pmma,AB_oP4_51_e_f:Li-Mg,4.0,AB_tP2_123_a_d:Li-Mg +mp-1222270,LiMg,-1.78641329,-0.0318118317,0.0281738999999999,0.016139919,GGA,Cmmm,AB_oC4_65_a_c:Li-Mg,2.0,AB_oC4_65_a_c:Li-Mg +mp-2362485,LiMg,-1.8077924833,-0.053191025,0.0067947067,-0.0052392743,GGA,Cmmm,AB_oC12_65_ah_cg:Li-Mg,6.0,AB_oC12_65_ah_cg:Li-Mg +mp-1185380,LiMg,-1.806882645,-0.0522811867,0.007704545,-0.004329436,GGA,Imma,AB_oI8_74_e_e:Li-Mg,4.0,AB_oI8_74_e_e:Li-Mg +mp-1094673,LiMg,-1.81388677,-0.0592853117,0.00070042,-0.011333561,GGA,P4/mmm,AB_tP2_123_a_d:Li-Mg,2.0,AB_tP2_123_a_d:Li-Mg +mp-1094592,LiMg,-1.7701978683,-0.01559641,0.0443893217,0.0323553407,GGA,P3m1,AB_hP6_156_2ab_a2b:Li-Mg,6.0,AB_hP6_156_2ab_a2b:Li-Mg +mp-1094853,LiMg,-1.7608122875,-0.0062108292,0.0537749025,0.0417409215,GGA,P-3m1,AB_hP4_164_d_d:Li-Mg,4.0,AB_hP4_164_d_d:Li-Mg +mp-1094578,LiMg,-1.775263175,-0.0206617167,0.039324015,0.027290034,GGA,R-3m,AB_hR6_166_a_b:Li-Mg,2.0,AB_hR6_166_a_b:Li-Mg +mp-1094580,LiMg,-1.7616290267,-0.0070275683,0.0529581633,0.0409241823,GGA,P-6m2,AB_hP6_187_ah_dg:Li-Mg,6.0,"Invalid WP multiplicities - AB_hP6_187_a2h_dg:Li-Mg, expected Li5Mg3 to be LiMg" +mp-1094982,LiMg,-1.78500377,-0.0304023117,0.02958342,0.017549439,GGA,P-6m2,AB_hP2_187_a_d:Li-Mg,2.0,AB_hP2_187_a_d:Li-Mg +mp-1094889,LiMg,-1.81458719,-0.0599857317,0.0,-0.012033981,GGA,Pm-3m,AB_cP2_221_a_b:Li-Mg,2.0,AB_cP2_221_a_b:Li-Mg +mp-976944,Li5Mg,-1.8797976617,-0.0223152644,0.000251665,0.0002410572,GGA,Cm,A5B_mC12_8_5a_a:Li-Mg,6.0,A5B_mC12_8_5a_a:Li-Mg +mp-977122,Li5Mg,-1.8677152583,-0.0102328611,0.0123340683,0.0123234606,GGA,Amm2,A5B_oC12_38_2a3b_a:Li-Mg,6.0,A5B_oC12_38_2a3b_a:Li-Mg +mp-981935,Li5Mg,-1.8800493267,-0.0225669294,0.0,-1.06078e-05,GGA,R32,A5B_hR18_155_cd_b:Li-Mg,6.0,A5B_hR18_155_cd_b:Li-Mg +mp-1094590,Li5Mg,-1.8620582183,-0.0045758211,0.0179911083,0.0179805006,GGA,P-6m2,A5B_hP6_187_agh_d:Li-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Li-Mg, expected Li9Mg to be Li5Mg" +mp-865604,Li5Mg,-1.8790692417,-0.0215868444,0.000980085,0.0009694772,GGA,P-62m,A5B_hP6_189_cg_a:Li-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2c3g_a:Li-Mg, expected Li13Mg to be Li5Mg" +mp-976139,Li3Mg,-1.85393781,-0.0221756475,0.011658835,0.0097459825,GGA,Pmm2,A3B_oP4_25_abc_d:Li-Mg,4.0,A3B_oP4_25_abc_d:Li-Mg +mp-1094591,Li3Mg,-1.865596645,-0.0338344825,0.0,-0.0019128525,GGA,Imm2,A3B_oI8_44_ac_b:Li-Mg,4.0,A3B_oI8_44_ac_b:Li-Mg +mp-1094159,Li3Mg,-1.8640295425,-0.03226738,0.0015671025,-0.00034575,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Mg,4.0,A3B_tI8_139_ad_b:Li-Mg +mp-1094598,Li3Mg,-1.8595359775,-0.027773815,0.0060606675,0.004147815,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Mg,8.0,A3B_hP8_194_h_c:Li-Mg +mp-976254,Li3Mg,-1.8614582675,-0.029696105,0.0041383775,0.002225525,GGA,Pm-3m,A3B_cP4_221_c_a:Li-Mg,4.0,A3B_cP4_221_c_a:Li-Mg +mp-976256,Li3Mg,-1.8591663975,-0.027404235,0.0064302475,0.004517395,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Mg,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Li-Mg, expected Li5Mg to be Li3Mg" +mp-1016274,LiMg7,-1.6523152175,-0.0134548154,0.0247756883,0.0247756883,GGA,P-6m2,AB7_hP8_187_a_djk:Li-Mg,8.0,AB7_hP8_187_a_djk:Li-Mg +mp-864630,LiMg2Hg,-1.6109491125000002,-0.2576582796,0.0,-0.0402116406,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Hg-Li-Mg +mp-1093699,LiMgHg2,-0.47818727,0.5509536417,0.8617915700000001,0.8455153675,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Mg,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Mg +mp-1185363,LiMgHg2,-1.33997884,-0.3108379283,0.0,-0.0162762025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Mg,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Mg +mp-1206428,Li3Mg5,-1.7480320362,-0.03201093,0.02600795,0.02600795,GGA,I4/mmm,A3B5_tI16_139_ac_bf:Li-Mg,8.0,A3B5_tI16_139_ac_bf:Li-Mg +mp-1094604,LiMg2,-1.7265158,-0.0233548111,0.0340084517,0.0266799775,GGA,Cm,AB2_mC12_8_2a_4a:Li-Mg,6.0,AB2_mC12_8_2a_4a:Li-Mg +mp-973455,LiMg2,-1.7429004483,-0.0397394594,0.0176238033,0.0102953292,GGA,C2/m,AB2_mC12_12_i_2i:Li-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094600,LiMg2,-1.73253173,-0.0293707411,0.0279925217,0.0206640475,GGA,C2/m,AB2_mC12_12_i_2i:Li-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094570,LiMg2,-1.7300652783,-0.0269042894,0.0304589733,0.0231304992,GGA,C2/c,AB2_mC12_15_e_f:Li-Mg,6.0,AB2_mC12_15_e_f:Li-Mg +mp-1094587,LiMg2,-1.749610055,-0.0464490661,0.0109141967,0.0035857225,GGA,Amm2,AB2_oC12_38_2a_a3b:Li-Mg,6.0,AB2_oC12_38_2a_a3b:Li-Mg +mp-973374,LiMg2,-1.7605242517000002,-0.0573632628,0.0,-0.0073284742,GGA,Cmcm,AB2_oC12_63_c_2c:Li-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Li-Mg, expected LiMg4 to be LiMg2" +mp-1094574,LiMg2,-1.7408208317,-0.0376598428,0.01970342,0.0123749458,GGA,Cmcm,AB2_oC12_63_c_2c:Li-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094579,LiMg2,-1.7496216133,-0.0464606244,0.0109026383,0.0035741642,GGA,Cmcm,AB2_oC12_63_c_2c:Li-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094593,LiMg2,-1.7345299933,-0.0313690044,0.0259942583,0.0186657842,GGA,Cmcm,AB2_oC12_63_c_g:Li-Mg,6.0,AB2_oC12_63_c_g:Li-Mg +mp-865939,LiMg2,-1.75423565,-0.0510746611,0.0062886017,-0.0010398725,GGA,I4/mmm,AB2_tI6_139_a_e:Li-Mg,3.0,AB2_tI6_139_a_e:Li-Mg +mp-1094605,LiMg2,-1.7300043867,-0.0268433978,0.030519865,0.0231913908,GGA,R32,AB2_hR18_155_c_ae:Li-Mg,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Li-Mg, expected Li2Mg7 to be LiMg2" +mp-1094559,LiMg2,-1.7085614667,-0.0054004778,0.051962785,0.0446343108,GGA,P-3m1,AB2_hP6_164_d_2d:Li-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094581,LiMg2,-1.725825375,-0.0226643861,0.0346988767,0.0273704025,GGA,P-6m2,AB2_hP6_187_g_adh:Li-Mg,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Li-Mg, expected LiMg3 to be LiMg2" +mp-1094156,LiMg2,-1.73434336,-0.0311823711,0.0261808917,0.0188524175,GGA,P-62m,AB2_hP6_189_c_ag:Li-Mg,6.0,AB2_hP6_189_c_ag:Li-Mg +mp-1094582,LiMg2,-1.7176154733,-0.0144544844,0.0429087783,0.0355803042,GGA,P6_3/mmc,AB2_hP6_194_c_f:Li-Mg,6.0,AB2_hP6_194_c_f:Li-Mg +mp-1208454,Tb4Ir,-5.369730431,0.105449285,0.5579823225,0.5579823225,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Tb,10.0,AB4_cF40_227_a_e:Ir-Tb +mp-1217467,TbLu,-4.56220922,0.01544909,0.01544909,0.01544909,GGA,P-6m2,AB_hP2_187_a_d:Lu-Tb,2.0,AB_hP2_187_a_d:Lu-Tb +mp-1761,LuIr2,-8.24663942,-0.84736646,0.0,-0.17266094,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Lu,6.0,A2B_cF24_227_c_b:Ir-Lu +mp-1105600,Lu5Ir3,-7.02494784,-0.8849409475000001,0.0,-0.0293276658,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Lu,16.0,A3B5_hP16_193_g_dg:Ir-Lu +mp-1210563,Lu4Ir,-5.291797107,0.092650145,0.6180020890000001,0.6180020890000001,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Lu,10.0,AB4_cF40_227_a_e:Ir-Lu +mp-1187291,Tb3Lu,-4.5834654025,0.0225468025,0.0225468025,0.0225468025,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Tb,4.0,AB3_cP4_221_a_c:Lu-Tb +mp-1106276,Tb3Ir,-6.2510494169,-0.5656662969,0.0,-0.0047107794,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Tb,16.0,AB3_oP16_62_c_cd:Ir-Tb +mp-1189562,Lu3Ir,-6.257011365,-0.65668993,0.0,-0.0058064325,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Lu,16.0,AB3_oP16_62_c_cd:Ir-Lu +mp-1187371,TbLuIr2,-7.5918589575,-0.8838127125,0.0232426573,0.0232426573,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Lu-Tb,4.0,A2BC_cF16_225_c_a_b:Ir-Lu-Tb +mp-1198700,Tb3Ir2,-7.0976494597,-0.7816561277,0.0103911767,0.0103911767,GGA,I4/mcm,A2B3_tI140_140_acfh2l_bgh2m:Ir-Tb,70.0,A2B3_tI140_140_acfh2l_bgh2m:Ir-Tb +mp-2725,TbIr2,-8.2558058717,-0.8187277183,0.0,-0.384474314,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Tb,6.0,A2B_cF24_227_c_b:Ir-Tb +mp-1529,LuIr,-7.69175063,-1.01205828,0.0,-0.1432206843,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Lu,2.0,AB_cP2_221_a_b:Ir-Lu +mp-1103978,Tb5Ir2,-6.4766204286,-0.64109202,0.0,-0.0114600892,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Tb,14.0,A2B5_mC28_15_f_e2f:Ir-Tb +mp-1201266,Tb5Ir3,-7.0004376456,-0.7895460156,0.0,-0.0386382865,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Tb,32.0,A3B5_tP32_130_cf_bg:Ir-Tb +mp-1188649,Tb5Ir3,-6.9609876119,-0.7500959819,0.0394500338,0.0008117473,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Tb,16.0,A3B5_hP16_193_g_dg:Ir-Tb +mp-567963,Lu5Ir2,-6.4983841343,-0.7438668543,0.0,-0.0219623479,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Lu,14.0,"Invalid WP multiplicities - A2B5_mC28_15_f_2e4f:Ir-Lu, expected Lu5Ir to be Lu5Ir2" +mp-1105001,Tm3Pt4,-6.6556811543,-1.2682469329,0.0,-0.0207603393,GGA,R-3,A4B3_hR42_148_abf_f:Pt-Tm,14.0,A4B3_hR42_148_abf_f:Pt-Tm +mp-1008673,TmCd2,-1.9719649033,0.1352400778,0.41827265,0.4050787025,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Tm,3.0,A2B_hP3_164_d_a:Cd-Tm +mp-11311,TmCd2,-2.3902375533,-0.2830325722,0.0,-0.0131939475,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Tm,3.0,A2B_hP3_191_c_b:Cd-Tm +mp-571271,TmPt2,-6.6443710567,-1.1050037022,0.0524508367,0.0524508367,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Tm,6.0,A2B_cF24_227_c_b:Pt-Tm +mp-1202074,Tm11Cd45,-1.8194958529,-0.1987060519,0.0,-0.0038378302,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Tm,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Tm +mp-2351,TmPt3,-6.73282004,-1.0605111942,0.0,-0.2317584175,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Tm,4.0,A3B_cP4_221_c_a:Pt-Tm +mp-1102133,Tm2Pt,-5.9993667392,-0.9917653503,0.0,-0.042781086,GGA,Pnma,AB2_oP12_62_c_2c:Pt-Tm,12.0,AB2_oP12_62_c_2c:Pt-Tm +mp-1025409,TmPt,-6.595761125,-1.3222767533,0.0,-0.0848930003,GGA,Pnma,AB_oP8_62_c_c:Pt-Tm,8.0,AB_oP8_62_c_c:Pt-Tm +mp-1189442,Tm3Pt,-5.6152819469,-0.7406220494,0.0032019633,0.0032019633,GGA,Pnma,AB3_oP16_62_c_cd:Pt-Tm,16.0,AB3_oP16_62_c_cd:Pt-Tm +mp-1194,CdPt,-3.80314323,-0.30613169,0.0,-0.1240115337,GGA,P4/mmm,AB_tP2_123_a_d:Cd-Pt,2.0,AB_tP2_123_a_d:Cd-Pt +mp-1067236,CdPt3,-4.9630059925,-0.1789335625,0.0,-0.0258677175,GGA,Cmmm,AB3_oC8_65_a_bf:Cd-Pt,4.0,AB3_oC8_65_a_bf:Cd-Pt +mp-1226746,CdPt3,-4.8357082675,-0.0516358375,0.127297725,0.1014300075,GGA,R-3m,AB3_hR12_166_a_bc:Cd-Pt,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cd-Pt, expected CdPt5 to be CdPt3" +mp-866022,CdPt3,-4.949421055,-0.165348625,0.0135849375,-0.01228278,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Pt,4.0,AB3_cP4_221_a_c:Cd-Pt +mp-1199106,Tm5Pt4,-6.3982357683,-1.2133790576,0.0,-0.0012727719,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pt-Tm,36.0,A4B5_oP36_62_2cd_c2d:Pt-Tm +mp-1183641,Cd3Pt,-2.3952574,-0.18530675,0.0,-0.032240905,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Pt,4.0,A3B_tI8_139_ad_b:Cd-Pt +mp-1183654,Cd3Pt,-2.3936764513,-0.1837258013,0.0015809488,-0.0306599563,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Pt,8.0,A3B_hP8_194_h_c:Cd-Pt +mp-30502,TmCd3,-2.0591402762,-0.2480141004,0.0,-0.0163107145,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Tm,8.0,A3B_oC16_63_cg_c:Cd-Tm +mp-1208017,Tm4Pt,-4.832694291,-0.0377992883,0.5572599218000001,0.5572599218000001,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Tm,10.0,AB4_cF40_227_a_e:Pt-Tm +mp-1105869,Tm5Pt3,-6.1272375063,-1.0531653717,0.0217051189,0.0217051189,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Tm,16.0,A3B5_hP16_193_g_dg:Pt-Tm +mp-1208037,Tm4CdPt,-4.7729549108,-0.6233941153,0.0,-0.023015549,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pt-Tm,24.0,ABC4_cF96_216_e_e_efg:Cd-Pt-Tm +mp-865202,TmCdPt2,-5.24163283,-0.8563848742,0.01170603,0.01170603,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pt-Tm,4.0,AB2C_cF16_225_a_c_b:Cd-Pt-Tm +mp-2502,TmCd,-3.012850265,-0.3134876733,0.0,-0.1012132442,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Tm,2.0,AB_cP2_221_a_b:Cd-Tm +mp-1208944,Sm4Rh,-5.161357392,0.08637309,0.4504286905,0.4504286905,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Sm,10.0,AB4_cF40_227_a_e:Rh-Sm +mp-17391,Sm3Rh2,-6.446845888,-0.6699710590000001,0.0,-0.0185093381,GGA,R-3,A2B3_hR45_148_f_acf:Rh-Sm,15.0,A2B3_hR45_148_f_acf:Rh-Sm +mp-1201454,Sm11Sn10,-5.1418321805,-0.7608718931,0.0,-0.0270634552,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Sm-Sn,42.0,A11B10_tI84_139_eh2n_dehim:Sm-Sn +mp-680553,Sm3Sn13Rh4,-5.3445718345,-0.5577006345000001,0.0,-0.0265790634,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Rh-Sm-Sn,40.0,"Invalid WP multiplicities - A4B3C13_cP40_223_e_c_2a3k:Rh-Sm-Sn, expected Sm3(Sn19Rh2)2 to be Sm3Sn13Rh4" +mp-840,SmRh2,-7.17319627,-0.690795645,0.0,-0.0941267383,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Sm,6.0,A2B_cF24_227_c_b:Rh-Sm +mp-972520,SmSnRh2,-6.56521182,-0.7010183875,1.6684e-06,1.6684e-06,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sm-Sn,4.0,A2BC_cF16_225_c_a_b:Rh-Sm-Sn +mp-1077593,SmSn2,-4.85595832,-0.6100483717,0.0,-0.0461592108,GGA,Cmmm,AB2_oC12_65_g_ach:Sm-Sn,6.0,AB2_oC12_65_g_ach:Sm-Sn +mp-436,SmRh,-6.769744285,-0.7282972825,0.0,-0.0287965379,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Sm,2.0,AB_cP2_221_a_b:Rh-Sm +mp-1205407,Sm3Rh,-5.8350860694,-0.4550695006,0.0,-0.0076985898,GGA,Pnma,AB3_oP16_62_c_cd:Rh-Sm,16.0,AB3_oP16_62_c_cd:Rh-Sm +mp-1198128,Sm5Sn4,-5.1579037928,-0.7544351156,0.0,-0.004632275,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Sm-Sn,36.0,A5B4_oP36_62_c2d_2cd:Sm-Sn +mp-1189638,Sm7Rh3,-6.0491477485,-0.536845093,0.0,-0.0101417396,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Rh-Sm,20.0,A3B7_hP20_186_c_b2c:Rh-Sm +mp-1080129,SmSnRh,-6.23414659,-0.8699913033000001,0.0,-0.1489387597,GGA,P-62m,ABC_hP9_189_ad_f_g:Rh-Sm-Sn,9.0,ABC_hP9_189_ad_f_g:Rh-Sm-Sn +mp-2484,SmSn3,-4.64742976,-0.460604335,0.0,-0.0030680562,GGA,Pm-3m,AB3_cP4_221_a_c:Sm-Sn,4.0,AB3_cP4_221_a_c:Sm-Sn +mp-1189874,Sm5Sn3,-5.1607103181,-0.7080045381000001,0.0,-0.0567697631,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Sm-Sn,16.0,A5B3_hP16_193_dg_g:Sm-Sn +mp-1196525,Sm5Rh4,-6.5968649061,-0.7024024444,0.0,-0.0065086194,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Rh-Sm,36.0,A4B5_oP36_62_2cd_c2d:Rh-Sm +mp-978974,SnRh3,-6.77798643,-0.2523625638,0.0196183362,0.0196183362,GGA,I4/mmm,A3B_tI8_139_ad_b:Rh-Sn,4.0,A3B_tI8_139_ad_b:Rh-Sn +mp-1187077,SnRh3,-6.7833147113,-0.257690845,0.014290055,0.014290055,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-Sn,8.0,A3B_hP8_194_h_c:Rh-Sn +mp-1187036,Sn3Rh,-4.74690484,0.1013510187,0.4257427788,0.4257427788,GGA,Fm-3m,AB3_cF16_225_a_bc:Rh-Sn,4.0,AB3_cF16_225_a_bc:Rh-Sn +mp-317,SnRh,-6.1498396637,-0.4628998012,0.0,-0.0742955208,GGA,P2_13,AB_cP8_198_a_a:Rh-Sn,8.0,AB_cP8_198_a_a:Rh-Sn +mp-636334,SnRh2,-6.6087037317,-0.3626412,0.0,-0.0365473696,GGA,Pnma,A2B_oP12_62_2c_c:Rh-Sn,12.0,"Invalid WP multiplicities - A2B_oP12_62_4c_c:Rh-Sn, expected SnRh4 to be SnRh2" +mp-1208843,Sm2Sn5,-4.7267908414,-0.5146434779,0.0100083014,0.0100083014,GGA,Cmmm,A2B5_oC28_65_2g_acg3h:Sm-Sn,14.0,A2B5_oC28_65_2g_acg3h:Sm-Sn +mp-1191108,SmRh3,-7.233732155,-0.5308547187,0.0,-0.012757985,GGA,P6_3/mmc,A3B_hP24_194_abck_df:Rh-Sm,24.0,A3B_hP24_194_abck_df:Rh-Sm +mp-1205030,Sm5(Sn5Rh2)2,-5.6238720142,-0.7214572403,0.0,-0.025101492,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Rh-Sm-Sn,38.0,A4B5C10_tP38_127_i_a2h_gij:Rh-Sm-Sn +mp-571474,Sm4Sn3,-5.1589911864,-0.7442683143000001,0.0,-0.0004459021,GGA,I-43d,A4B3_cI28_220_c_a:Sm-Sn,14.0,A4B3_cI28_220_c_a:Sm-Sn +mp-1194122,Sm(Sn2Rh)2,-5.6908586375,-0.6215030239,0.0,-0.0321713495,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Rh-Sm-Sn,28.0,A2BC4_oP28_62_2c_c_4c:Rh-Sm-Sn +mp-1103044,Sn2Rh,-5.5423845542,-0.4145673608,0.0,-0.058675005,GGA,Cmce,AB2_oC24_64_d_ef:Rh-Sn,12.0,AB2_oC24_64_d_ef:Rh-Sn +mp-1219386,Sn2Rh,-4.3610887278,0.7667284656000001,1.1812958264,1.1226208214,GGA,I4mm,AB2_tI18_107_3a_bd:Rh-Sn,9.0,AB2_tI18_107_3a_bd:Rh-Sn +mp-565,Sn2Rh,-5.52722577,-0.3994085767,0.0151587842,-0.0435162208,GGA,I4/mcm,AB2_tI12_140_a_h:Rh-Sn,6.0,AB2_tI12_140_a_h:Rh-Sn +mp-1188303,Sn4Rh,-4.9508054575,-0.2702863995,0.0,-0.021545983,GGA,I4_1/acd,AB4_tI40_142_b_g:Rh-Sn,20.0,AB4_tI40_142_b_g:Rh-Sn +mp-1208852,Sn4Rh,-4.947993454,-0.267474396,0.0028120035,-0.0187339795,GGA,P3_121,AB4_hP15_152_a_2bc:Rh-Sn,15.0,AB4_hP15_152_a_2bc:Rh-Sn +mp-1021668,In3Sb,-3.1055663325,-0.009553225,0.0949972775,0.0949972775,GGA,Pm-3m,A3B_cP4_221_c_a:In-Sb,4.0,A3B_cP4_221_c_a:In-Sb +mp-1207221,In2Sb,-3.261507945,-0.0507183783,0.0886822917,0.0886822917,GGA,P6_3/mmc,A2B_hP6_194_ac_d:In-Sb,6.0,A2B_hP6_194_ac_d:In-Sb +mp-1224185,In3Co,-3.7747344513,0.066107795,0.0792974838,0.066107795,GGA,Cmmm,AB3_oC16_65_g_ehj:Co-In,8.0,AB3_oC16_65_g_ehj:Co-In +mp-22236,In3Co,-3.854031935,-0.0131896888,0.0,-0.0131896888,GGA,P4_2/mnm,AB3_tP16_136_f_cj:Co-In,16.0,AB3_tP16_136_f_cj:Co-In +mp-1212332,InSb2,-2.34537123,1.3245241733,1.4639248433,1.4639248433,GGA,Pmmm,AB2_oP3_47_a_i:In-Sb,3.0,AB2_oP3_47_a_i:In-Sb +mp-1317,CoSb3,-5.2055655638000005,-0.331735185,0.0,-0.1033326012,GGA,Im-3,AB3_cI32_204_c_g:Co-Sb,16.0,AB3_cI32_204_c_g:Co-Sb +mp-19744,InSb,-3.453115725,-0.01277324,0.196327765,0.0252655438,GGA,Pmm2,AB_oP2_25_a_b:In-Sb,2.0,AB_oP2_25_a_b:In-Sb +mp-684597,InSb,-3.52963622,-0.089293735,0.11980727,-0.0512549512,GGA,Imm2,AB_oI4_44_a_b:In-Sb,2.0,AB_oI4_44_a_b:In-Sb +mp-569020,InSb,-3.5006687525,-0.0603262675,0.1487747375,-0.0222874837,GGA,Pmmn,AB_oP4_59_a_b:In-Sb,4.0,AB_tP4_129_a_c:In-Sb +mp-20253,InSb,-3.5282909575,-0.0879484725,0.1211525325,-0.0499096887,GGA,Cmcm,AB_oC24_63_cf_cf:In-Sb,12.0,AB_oC24_63_cf_cf:In-Sb +mp-21210,InSb,-3.5082160275,-0.0678735425,0.1412274625,-0.0298347587,GGA,Cmcm,AB_oC8_63_c_c:In-Sb,4.0,AB_oC8_63_c_c:In-Sb +mp-1223637,InSb,-3.53353019,-0.093187705,0.1159133,-0.0551489212,GGA,I-4m2,AB_tI4_119_a_c:In-Sb,2.0,AB_tI4_119_a_c:In-Sb +mp-1223633,InSb,-3.45864696,-0.018304475,0.19079653,0.0197343088,GGA,P4/mmm,AB_tP2_123_a_b:In-Sb,2.0,AB_tP2_123_a_b:In-Sb +mp-1007661,InSb,-3.63253143,-0.192188945,0.01691206,-0.1541501612,GGA,P6_3mc,AB_hP4_186_b_b:In-Sb,4.0,AB_hP4_186_b_b:In-Sb +mp-20012,InSb,-3.64944349,-0.209101005,0.0,-0.1710622212,GGA,F-43m,AB_cF8_216_a_c:In-Sb,2.0,AB_cF8_216_a_c:In-Sb +mp-10148,InSb,-3.423492715,0.01684977,0.225950775,0.0548885538,GGA,Pm-3m,AB_cP2_221_a_b:In-Sb,2.0,AB_cP2_221_a_b:In-Sb +mp-10149,InSb,-3.511453045,-0.07111056,0.137990445,-0.0330717762,GGA,Fm-3m,AB_cF8_225_a_b:In-Sb,2.0,AB_cF8_225_a_b:In-Sb +mp-20296,In2Co,-4.1712493308,0.0326457542,0.0443699219,0.0443699219,GGA,Fddd,AB2_oF48_70_e_ef:Co-In,12.0,AB2_oF48_70_e_ef:Co-In +mp-1188565,In5Sb3,-3.3038572681,-0.0356794719,0.1211462819,0.1211462819,GGA,I4/mcm,A5B3_tI32_140_cl_ah:In-Sb,16.0,A5B3_tI32_140_cl_ah:In-Sb +mp-755,CoSb2,-5.4266435367,-0.3045367783,0.0024733958,0.0024733958,GGA,P2_1/c,AB2_mP12_14_e_2e:Co-Sb,12.0,AB2_mP12_14_e_2e:Co-Sb +mp-9835,CoSb2,-5.418244985,-0.2961382267,0.0108719475,0.0108719475,GGA,Pnnm,AB2_oP6_58_a_g:Co-Sb,6.0,AB2_oP6_58_a_g:Co-Sb +mp-1224696,In(CoSb3)16,-5.1585342852,-0.3173523165,0.0094683548,0.0094683548,GGA,C2/m,A16BC48_mC130_12_ef3j_a_8i8j:Co-In-Sb,65.0,"Invalid WP multiplicities - A16BC48_mC130_12_2e2f10j_a_14i27j:Co-In-Sb, expected In(Co6Sb17)8 to be In(CoSb3)16" +mp-2644,CoSb,-5.87621967,-0.2575601525,0.0,-0.0291575687,GGA,P6_3/mmc,AB_hP4_194_a_c:Co-Sb,4.0,AB_hP4_194_a_c:Co-Sb +mp-975511,InSb3,-3.739027795,0.0456440675,0.15019457,0.15019457,GGA,Pm-3m,AB3_cP4_221_a_c:In-Sb,4.0,AB3_cP4_221_a_c:In-Sb +mp-975512,InSb3,-3.739992725,0.0446791375,0.14922964,0.14922964,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Sb,4.0,AB3_cF16_225_a_bc:In-Sb +mp-1224652,In(CoSb3)20,-5.162431379,-0.3148003416,0.0129910978,0.0129910978,GGA,C2/m,A20BC60_mC162_12_ef4j_a_10i10j:Co-In-Sb,81.0,"Invalid WP multiplicities - A20BC60_mC162_12_2ef14j_a_18i35j:Co-In-Sb, expected In(Co31Sb88)2 to be In(CoSb3)20" +mp-17383,Ni2Ge,-5.697585285,-0.3031515467,0.0008735637,0.0008735637,GGA,Pnma,AB2_oP12_62_c_2c:Ge-Ni,12.0,AB2_oP12_62_c_2c:Ge-Ni +mp-1594,Ni2Ge,-5.669196345,-0.2747626067,0.0292625037,0.0292625037,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ge-Ni,6.0,AB2_hP6_194_c_ad:Ge-Ni +mp-1099,NiGe,-5.5065553413,-0.3049730738,0.0,-0.0518450616,GGA,Pnma,AB_oP8_62_c_c:Ge-Ni,8.0,AB_oP8_62_c_c:Ge-Ni +mp-1220076,Ni4Ge,-5.467164494,0.081550421,0.313572002,0.313572002,GGA,R-3m,AB4_hR15_166_a_2c:Ge-Ni,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ge-Ni, expected Ni6Ge to be Ni4Ge" +mp-21008,Ni3Ge,-5.78088645,-0.2900269762,0.0,-0.0456924033,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Ni,4.0,AB3_cP4_221_a_c:Ge-Ni +mp-1200317,Ni5Ge2,-5.7287736705,-0.2792395119,0.0167866647,0.0167866647,GGA,P6_3cm,A2B5_hP42_185_abc_ab4c:Ge-Ni,42.0,A2B5_hP42_185_abc_ab4c:Ge-Ni +mp-29900,NiGe2,-5.172683145,-0.1639523483,0.0393630342,0.0393630342,GGA,Cmce,A2B_oC24_64_ef_d:Ge-Ni,12.0,A2B_oC24_64_ef_d:Ge-Ni +mp-1106111,Ni5Ge3,-5.6565405094,-0.3103196387,0.0007045387,-0.0016389292,GGA,C2,A3B5_mC32_5_ab2c_5c:Ge-Ni,16.0,A3B5_mC32_5_ab2c_5c:Ge-Ni +mp-1428,Ni5Ge3,-5.6572450481,-0.3110241775,0.0,-0.002343468,GGA,C2/c,A3B5_mC32_15_ef_c2f:Ge-Ni,16.0,A3B5_mC32_15_ef_c2f:Ge-Ni +mp-976774,NiGe3,-4.651516035,0.2607890263,0.4132755631,0.4132755631,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Ni,4.0,A3B_tI8_139_ad_b:Ge-Ni +mp-1186341,NiGe3,-4.6403228,0.2719822613,0.4244687981,0.4244687981,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Ni,4.0,A3B_cP4_221_c_a:Ge-Ni +mp-862665,AcGe3,-4.9376375375,-0.4400728944,0.0,-0.4400728944,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Ge,8.0,AB3_hP8_194_c_h:Ac-Ge +mp-983587,Ac2NiGe,-4.9997634175000005,-0.33838478,0.0,-0.1439151447,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ge-Ni,4.0,A2BC_cF16_225_c_a_b:Ac-Ge-Ni +mp-30082,Ni19Ge12,-5.6425095368,-0.3102859503,0.0001526365,0.0001526365,GGA,C2,A12B19_mC62_5_ab5c_a9c:Ge-Ni,31.0,A12B19_mC62_5_ab5c_a9c:Ge-Ni +mp-1219825,Ni7Ge4,-5.6426540055,-0.2832841709,0.0258311701,0.0258311701,GGA,Imm2,A4B7_oI22_44_abc_a3c:Ge-Ni,11.0,"Invalid WP multiplicities - A4B7_oI22_44_abc_a5c:Ge-Ni, expected Ni11Ge4 to be Ni7Ge4" +mp-1219818,Ni7Ge4,-5.6247165482,-0.2653467136,0.0437686274,0.0437686274,GGA,P-6m2,A4B7_hP11_187_abh_cg2i:Ge-Ni,11.0,"Invalid WP multiplicities - A4B7_hP11_187_abh_cg3i:Ge-Ni, expected Ni9Ge4 to be Ni7Ge4" +mp-1184788,GeRh3,-6.9037879150000006,-0.2248000487,0.1187471181,0.1187471181,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Rh,8.0,AB3_hP8_194_c_h:Ge-Rh +mp-1078464,MnGe,-7.015281865,-0.1227602915,0.0,-0.0287656685,GGA,P2_13,AB_cP8_198_a_a:Ge-Mn,8.0,AB_cP8_198_a_a:Ge-Mn +mp-973883,Ge3Rh,-5.2180163675,0.0903314913,0.3646825453,0.3646825453,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Rh,4.0,A3B_tI8_139_ad_b:Ge-Rh +mp-1094140,MnGe2,-6.170371455,-0.0343477876,0.0474924067,0.0474924067,GGA,I4/mcm,A2B_tI12_140_h_a:Ge-Mn,6.0,A2B_tI12_140_h_a:Ge-Mn +mp-1186709,MnGe3,-5.42942091,0.3283538043,0.38973395,0.38973395,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Mn,4.0,A3B_cP4_221_c_a:Ge-Mn +mp-4664,MnGeRh2,-7.566464365,-0.4380496432,0.0,-0.07632754,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Rh +mp-18649,MnGeRh,-7.420190555,-0.3704068826,0.0,-0.0021315567,GGA,Ima2,ABC_oI36_46_bc_3b_ac:Ge-Mn-Rh,18.0,"Invalid WP multiplicities - ABC_oI36_46_2b2c_3b_ac:Ge-Mn-Rh, expected MnGe2Rh to be MnGeRh" +mp-1079184,MnGeRh,-7.4109195056,-0.3611358332,0.0092710494,0.0071394928,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Mn-Rh,9.0,ABC_hP9_189_ad_f_g:Ge-Mn-Rh +mp-1203373,Ge22Rh17,-6.2963004686,-0.478355684,0.0,-0.0031148538,GGA,I-42d,A22B17_tI156_122_d5e_a8c:Ge-Rh,78.0,A22B17_tI156_122_d5e_a8c:Ge-Rh +mp-22585,GeRh2,-6.9086107542,-0.4580628892,0.0,-0.0418328181,GGA,Pnma,AB2_oP12_62_c_2c:Ge-Rh,12.0,AB2_oP12_62_c_2c:Ge-Rh +mp-617291,Mn5Ge3,-7.5666187631,-0.10672376,0.0154799594,0.0154799594,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Mn,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_3d3g:Ge-Mn, expected Mn5Ge to be Mn5Ge3" +mp-1097859,Mn3Ge5,-6.4034222306,-0.0782740867,0.0137961319,0.0137961319,GGA,P-4n2,A5B3_tP32_118_f2i_aceh:Ge-Mn,32.0,A5B3_tP32_118_f2i_aceh:Ge-Mn +mp-22239,GeRh,-6.53879705,-0.5451291875000001,0.0,-0.0701961659,GGA,Pnma,AB_oP8_62_c_c:Ge-Rh,8.0,AB_oP8_62_c_c:Ge-Rh +mp-20866,GeRh,-6.4967798987,-0.5031120362,0.0420171512,-0.0281790146,GGA,P2_13,AB_cP8_198_a_a:Ge-Rh,8.0,AB_cP8_198_a_a:Ge-Rh +mp-624221,Ge3Rh5,-6.8045866944,-0.46825883,0.0115706337,0.0115706337,GGA,Pbam,A3B5_oP16_55_ah_cgh:Ge-Rh,16.0,A3B5_oP16_55_2a2h_2c2g2h:Ge-Rh +mp-654223,Mn11Ge8,-7.3547860697,-0.1039233827,0.0184853895,0.0184853895,GGA,Pnma,A8B11_oP76_62_6cd_7c2d:Ge-Mn,76.0,"Invalid WP multiplicities - A8B11_oP76_62_22c7d_24c14d:Ge-Mn, expected Mn13Ge9 to be Mn11Ge8" +mp-1104286,Ge4Rh,-5.3617278093,-0.1904439513,0.0290368919,0.0290368919,GGA,P3_121,A4B_hP15_152_2ac_b:Ge-Rh,15.0,A4B_hP15_152_2ac_b:Ge-Rh +mp-632686,Mn5Ge2,-7.8678835986,-0.00272186,0.1190843079,0.1190843079,GGA,Ibam,A2B5_oI28_72_j_afj:Ge-Mn,14.0,"Invalid WP multiplicities - A2B5_oI28_72_j_2a3f2j:Ge-Mn, expected Mn6Ge to be Mn5Ge2" +mp-704981,Mn5Ge2,-7.8911100624,-0.0259483238,0.095857844,0.095857844,GGA,P6_3cm,A2B5_hP42_185_abc_ab4c:Ge-Mn,42.0,"Invalid WP multiplicities - A2B5_hP42_185_2a3bc_2a4b19c:Ge-Mn, expected Mn67Ge11 to be Mn5Ge2" +mp-20473,Mn2Ge,-7.6921523517,-0.043132872,0.0788853233,0.0788853233,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ge-Mn,6.0,AB2_hP6_194_c_ad:Ge-Mn +mp-1008920,Mn2Ge,-7.516129023299999,0.1328904564,0.2549086517,0.2549086517,GGA,F-43m,AB2_cF12_216_a_bc:Ge-Mn,3.0,AB2_cF12_216_a_bc:Ge-Mn +mp-1222005,Mn3Ge,-7.84269037,0.1845780628,0.30622521,0.2557272361,GGA,R-3m,AB3_hR12_166_a_bc:Ge-Mn,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Ge-Mn, expected Mn5Ge to be Mn3Ge" +mp-1078873,Mn3Ge,-8.0806725475,-0.0534041147,0.0682430325,0.0177450586,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Mn,8.0,AB3_hP8_194_c_h:Ge-Mn +mp-20139,Mn3Ge,-8.06660867,-0.0393402372,0.08230691,0.0318089361,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Mn,4.0,AB3_cP4_221_a_c:Ge-Mn +mp-865027,Mn3Ge,-8.14891558,-0.1216471472,0.0,-0.0504979739,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Mn,4.0,AB3_cF16_225_a_bc:Ge-Mn +mp-1215714,Zn2Pd,-3.0039932496,-0.4375369063,0.0,-0.0022664712,GGA,Cmm2,AB2_oC48_35_2a2de_a3b3cd2e:Pd-Zn,24.0,"Invalid WP multiplicities - AB2_oC48_35_2a2de_a3b4cd2e:Pd-Zn, expected Zn9Pd4 to be Zn2Pd" +mp-999298,Pd3Au,-4.7570816425,-0.053699785,0.0,-0.0228539875,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Pd,4.0,AB3_cP4_221_a_c:Au-Pd +mp-1215779,Zn10Pd3,-2.5000538115,-0.3356629246,0.0072457467,0.0072457467,GGA,Cm,A3B10_mC52_8_2a2b_6a7b:Pd-Zn,26.0,"Invalid WP multiplicities - A3B10_mC52_8_2a2b_6a10b:Pd-Zn, expected Zn13Pd3 to be Zn10Pd3" +mp-1103252,ZnPd2,-4.3353665508,-0.4621974742,0.0,-0.0464475142,GGA,Pnma,A2B_oP12_62_2c_c:Pd-Zn,12.0,A2B_oP12_62_2c_c:Pd-Zn +mp-1215509,ZnPd2,-4.2878249083,-0.4146558317,0.0475416425,0.0010941283,GGA,P4/mmm,A2B_tP6_123_adg_h:Pd-Zn,6.0,A2B_tP6_123_adg_h:Pd-Zn +mp-865425,ZnPd3,-4.535331855,-0.335484595,0.0111635106,0.0111635106,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Zn,4.0,A3B_tI8_139_ad_b:Pd-Zn +mp-971909,ZnPd3,-4.5187427713,-0.3188955113,0.0277525944,0.0277525944,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pd-Zn,8.0,A3B_hP8_194_h_c:Pd-Zn +mp-1187913,ZnPd3,-4.5176484025,-0.3178011425,0.0288469631,0.0288469631,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Zn,4.0,A3B_cP4_221_c_a:Pd-Zn +mp-977383,ZnPd2Au,-4.060047975,-0.3367006675,0.0167200513,0.0167200513,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Pd-Zn +mp-1207512,Zn3Au5,-2.6948068223,-0.1762267186,0.0055181108,0.0055181108,GGA,Ibam,A5B3_oI128_72_acfhj3k_bdi2k:Au-Zn,64.0,A5B3_oI128_72_acfhj3k_bdi2k:Au-Zn +mp-1219920,PdAu,-4.2885735,-0.061691595,0.0045710975,0.0045710975,GGA,R-3m,AB_hR6_166_a_b:Au-Pd,2.0,AB_hR6_166_a_b:Au-Pd +mp-1652,ZnPd,-3.7960934,-0.57628069,0.0,-0.1264134998,GGA,P4/mmm,AB_tP2_123_a_d:Pd-Zn,2.0,AB_tP2_123_a_d:Pd-Zn +mp-1215579,ZnPd4,-4.626360446,-0.230506276,0.0468122085,0.0468122085,GGA,R-3m,A4B_hR15_166_2c_a:Pd-Zn,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Pd-Zn, expected ZnPd6 to be ZnPd4" +mp-973839,PdAu3,-3.8292075525,-0.0788256,0.0,-0.0479798025,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Pd,4.0,A3B_tI8_139_ad_b:Au-Pd +mp-1186447,PdAu3,-3.8194696987,-0.0690877463,0.0097378537,-0.0382419487,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Pd,8.0,A3B_hP8_194_h_c:Au-Pd +mp-973834,PdAu3,-3.8291397475,-0.078757795,6.7805e-05,-0.0479119975,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Pd,4.0,A3B_cP4_221_c_a:Au-Pd +mp-1215488,Zn5Pd3,-3.1548633,-0.425067865,0.0471549872,0.0471549872,GGA,P4/mmm,A3B5_tP8_123_ag_b2h:Pd-Zn,8.0,"Invalid WP multiplicities - A3B5_tP8_123_a2g_b2h:Pd-Zn, expected ZnPd to be Zn5Pd3" +mp-865357,Zn3Pd,-2.6045434675,-0.3647653075,0.0,-0.0056565329,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Zn,4.0,AB3_tI8_139_a_bd:Pd-Zn +mp-1684,ZnAu,-2.482554825,-0.21574202,0.0,-0.0405212951,GGA,Pm-3m,AB_cP2_221_a_b:Au-Zn,2.0,AB_cP2_221_a_b:Au-Zn +mp-1188000,Zn3Au,-1.916687775,-0.1534095675,0.01979917,-0.0455385575,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Zn,8.0,AB3_hP8_194_c_h:Au-Zn +mp-30424,Zn3Au,-1.936486945,-0.1732087375,0.0,-0.0653377275,GGA,Pm-3n,AB3_cP32_223_ac_k:Au-Zn,32.0,AB3_cP32_223_ac_k:Au-Zn +mp-1208176,Zn61Pd8,-1.8964979246,-0.1822455378,0.0,-0.0081822929,GGA,Cmce,A8B61_oC276_64_4f_a6f12g:Pd-Zn,138.0,A8B61_oC276_64_4f_a6f12g:Pd-Zn +mp-1215575,ZnAu4,-2.930836264,-0.059781942,0.058416169,0.058416169,GGA,R-3m,A4B_hR15_166_2c_a:Au-Zn,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Au-Zn, expected ZnAu6 to be ZnAu4" +mp-1208530,Zn74Pd21,-2.4581657936,-0.3318653183,0.0,-0.0065118188,GGA,Cmcm,A21B74_oC380_63_c5fg2h_ac8f2g13h:Pd-Zn,190.0,A21B74_oC380_63_c5fg2h_ac8f2g13h:Pd-Zn +mp-1755,ZnAu3,-2.9180950412,-0.1477476388,0.0,-0.0302631597,GGA,Cmce,A3B_oC32_64_def_d:Au-Zn,16.0,"Invalid WP multiplicities - A3B_oC32_64_3d3e2f_d:Au-Zn, expected ZnAu8 to be ZnAu3" +mp-669566,ZnAu3,-2.9082136806000003,-0.1378662781,0.0098813606,-0.0203817991,GGA,I4_1/acd,A3B_tI64_142_def_d:Au-Zn,32.0,"Invalid WP multiplicities - A3B_tI64_142_7d7e7f_d:Au-Zn, expected ZnAu21 to be ZnAu3" +mp-1215448,Zn2PdAu,-3.132791545,-0.3894787875,0.0065325675,0.0065325675,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Au-Pd-Zn,4.0,ABC2_tP4_123_a_b_h:Au-Pd-Zn +mp-971891,Zn2PdAu,-3.131438785,-0.3881260275,0.0078853275,0.0078853275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Pd-Zn +mp-30485,Ca3Zn,-1.93854357,-0.1194077575,0.0144933963,0.0144933963,GGA,Cmcm,A3B_oC16_63_cf_c:Ca-Zn,8.0,A3B_oC16_63_cf_c:Ca-Zn +mp-1039229,Ca3Zn,-1.794196555,0.0249392575,0.1588404112,0.1588404112,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Zn,4.0,A3B_tI8_139_ad_b:Ca-Zn +mp-1039292,Ca3Zn,-1.82388787,-0.0047520575,0.1291490962,0.1291490962,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Zn,8.0,A3B_hP8_194_h_c:Ca-Zn +mp-1038879,Ca3Zn,-1.823514675,-0.0043788625,0.1295222913,0.1295222913,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Zn,4.0,A3B_cP4_221_c_a:Ca-Zn +mp-1039454,Ca3Zn,-1.7688558825,0.05027993,0.1841810837,0.1841810837,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Zn,4.0,A3B_cF16_225_ac_b:Ca-Zn +mp-1095974,Ca2ZnCd,-0.3756791325,1.17277915,1.4735770712,1.4735770712,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Zn +mp-1183459,Ca2ZnCd,-1.8366284175,-0.288170135,0.0126277862,0.0126277862,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Zn +mp-1039208,Ca2Zn,-1.7729637767000002,-0.0159826533,0.1625522183,0.1625522183,GGA,P4_2/mnm,A2B_tP6_136_f_a:Ca-Zn,6.0,A2B_tP6_136_f_a:Ca-Zn +mp-1227465,Ca4Zn51,-1.4674503369,-0.1534626345,0.0,-0.0059504352,GGA,R-3,A4B51_hR165_148_2c_ac8f:Ca-Zn,55.0,"Invalid WP multiplicities - A4B51_hR165_148_4c_ac48f:Ca-Zn, expected Ca8Zn291 to be Ca4Zn51" +mp-1094784,CaZn3,-1.5888904975,-0.14268282,0.1227407242,0.1227407242,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Zn,4.0,AB3_tI8_139_a_bd:Ca-Zn +mp-680531,CaZn3,-1.4542985653,-0.0080908878,0.2573326564,0.2573326564,GGA,P6_3/mmc,AB3_hP32_194_bh_afhk:Ca-Zn,32.0,"Invalid WP multiplicities - AB3_hP32_194_2b2h_2a4f6h6k:Ca-Zn, expected CaZn8 to be CaZn3" +mp-1039262,CaZn3,-1.64749445,-0.2012867725,0.0641367717,0.0641367717,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Zn,8.0,AB3_hP8_194_c_h:Ca-Zn +mp-1094980,CaZn3,-1.5527207525,-0.106513075,0.1589104692,0.1589104692,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Zn,4.0,AB3_cP4_221_a_c:Ca-Zn +mp-1039032,CaZn3,-1.6041376175000002,-0.15792994,0.1074936042,0.1074936042,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Zn,4.0,AB3_cF16_225_a_bc:Ca-Zn +mp-1183517,CaCd3,-1.45948619,-0.2659189,0.0022294378,0.0022294378,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Cd,8.0,AB3_hP8_194_c_h:Ca-Cd +mp-18167,Ca3Cd2,-1.8608556245,-0.2883397925,0.0,-0.0050584125,GGA,P4_2/mnm,A3B2_tP20_136_dfg_j:Ca-Cd,20.0,A3B2_tP20_136_dfg_j:Ca-Cd +mp-1183501,Ca3Cd,-1.85830677,-0.12338442,0.0568279503,0.0568279503,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Cd,4.0,A3B_cP4_221_c_a:Ca-Cd +mp-18567,CaZn11,-1.4868629133,-0.1649646142,0.0,-0.0030930969,GGA,I4_1/amd,AB11_tI48_141_b_aci:Ca-Zn,24.0,AB11_tI48_141_b_aci:Ca-Zn +mp-1038828,CaZn,-1.872744675,-0.24007293,0.0074211875,0.0045162496,GGA,Pmma,AB_oP4_51_e_f:Ca-Zn,4.0,AB_oP4_51_e_f:Ca-Zn +mp-30483,CaZn,-1.8801658625,-0.2474941175,0.0,-0.0029049379,GGA,Cmcm,AB_oC8_63_c_c:Ca-Zn,4.0,AB_oC8_63_c_c:Ca-Zn +mp-1039275,CaZn,-1.7410993,-0.108427555,0.1390665625,0.1361616246,GGA,R-3m,AB_hR6_166_a_b:Ca-Zn,2.0,AB_hR6_166_a_b:Ca-Zn +mp-1095001,CaZn,-1.68537581,-0.052704065,0.1947900525,0.1918851146,GGA,R-3m,AB_hR6_166_a_b:Ca-Zn,2.0,AB_hR6_166_a_b:Ca-Zn +mp-1038915,CaZn,-1.68400011,-0.051328365,0.1961657525,0.1932608146,GGA,P-6m2,AB_hP2_187_a_d:Ca-Zn,2.0,AB_hP2_187_a_d:Ca-Zn +mp-1039123,CaZn,-1.41678138,0.215890365,0.4633844825,0.4604795446,GGA,P6_3/mmc,AB_hP4_194_c_d:Ca-Zn,4.0,AB_hP4_194_c_d:Ca-Zn +mp-1038783,CaZn,-1.25399938,0.378672365,0.6261664825000001,0.6232615446,GGA,F-43m,AB_cF8_216_a_c:Ca-Zn,2.0,AB_cF8_216_a_c:Ca-Zn +mp-1039147,CaZn,-1.87439176,-0.241720015,0.0057741025,0.0028691646,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Zn,2.0,AB_cP2_221_a_b:Ca-Zn +mp-1039447,CaZn,-1.69922589,-0.066554145,0.1809399725,0.1780350346,GGA,Fm-3m,AB_cF8_225_a_b:Ca-Zn,2.0,AB_cF8_225_a_b:Ca-Zn +mp-1444,CaCd2,-1.6143134133,-0.33052028,0.0,-0.035207105,GGA,Imma,AB2_oI12_74_e_h:Ca-Cd,6.0,AB2_oI12_74_e_h:Ca-Cd +mp-1078,CaCd2,-1.6019997917,-0.3182066583,0.0123136217,-0.0228934833,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ca-Cd,12.0,AB2_hP12_194_f_ah:Ca-Cd +mp-672227,CaZn13,-1.4583942268,-0.1453751689,0.0053470614,0.0053470614,GGA,Fm-3c,AB13_cF112_226_a_bi:Ca-Zn,28.0,AB13_cF112_226_a_bi:Ca-Zn +mp-981200,Zn3Cd,-1.103752525,0.0717776225,0.0717776225,0.0717776225,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Zn,4.0,AB3_tI8_139_a_bd:Cd-Zn +mp-2786,Ca5Zn3,-1.9267555094,-0.2008517306,0.0,-0.0152311425,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Zn,16.0,A5B3_tI32_140_cl_ah:Ca-Zn +mp-1734,CaZn5,-1.6119942983,-0.22794131,0.0,-0.0169963078,GGA,P6/mmm,AB5_hP6_191_a_cg:Ca-Zn,6.0,AB5_hP6_191_a_cg:Ca-Zn +mp-1725,CaZn2,-1.811268145,-0.3029057783,0.0,-0.0651880646,GGA,Imma,AB2_oI12_74_e_h:Ca-Zn,6.0,AB2_oI12_74_e_h:Ca-Zn +mp-13364,CaZn2,-1.7827037875,-0.2743414208,0.0285643575,-0.0366237071,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ca-Zn,12.0,AB2_hP12_194_f_ah:Ca-Zn +mp-1229298,CaCd6,-1.265518475,-0.1879558407,0.0,-0.0360021836,GGA,Immm,AB6_oI168_71_lmn_efghij2l2m3n4o:Ca-Cd,84.0,"Invalid WP multiplicities - AB6_oI168_71_lmn_efghij2l2m3n7o:Ca-Cd, expected CaCd8 to be CaCd6" +mp-1073,CaCd,-1.818346545,-0.354101725,0.0,-0.0499442497,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Cd,2.0,AB_cP2_221_a_b:Ca-Cd +mp-1223860,IrRu,-9.065146215,-0.008727855,0.0408627869,0.0408627869,GGA,R-3m,AB_hR6_166_a_b:Ir-Ru,2.0,AB_hR6_166_a_b:Ir-Ru +mp-974421,IrRu,-9.09971444,-0.04329608,0.0062945619,0.0062945619,GGA,P-6m2,AB_hP2_187_a_d:Ir-Ru,2.0,AB_hP2_187_a_d:Ir-Ru +mp-1096518,Ti2IrRu,-5.6890195625,2.7869356258,3.59730145,3.59730145,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Ru-Ti,4.0,ABC2_oI8_71_a_b_e:Ir-Ru-Ti +mp-1187430,Ti2IrRu,-9.2700056125,-0.7940504242,0.0163154,0.0163154,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Ti +mp-1089,TiIr3,-9.335620635,-0.7329219958000001,0.0,-0.304111995,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Ti,4.0,A3B_cP4_221_c_a:Ir-Ti +mp-862620,IrRu3,-9.2180951162,-0.0526846663,0.0,-0.0310366262,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ir-Ru,8.0,AB3_hP8_194_c_h:Ir-Ru +mp-1235,TiIr,-9.2245831,-0.8576200017000001,0.0,-0.1568061257,GGA,P4/mmm,AB_tP2_123_a_d:Ir-Ti,2.0,AB_tP2_123_a_d:Ir-Ti +mp-12594,TiIr,-9.139234785,-0.7722716867,0.085348315,-0.0714578107,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Ti,2.0,AB_cP2_221_a_b:Ir-Ti +mp-1217113,Ti3Ir2,-8.96063951,-0.6879706280000001,0.057114641,0.057114641,GGA,P4/mmm,A2B3_tP10_123_2g_ad2h:Ir-Ti,10.0,"Invalid WP multiplicities - A2B3_tP10_123_3g_ad4h:Ir-Ti, expected Ti5Ir3 to be Ti3Ir2" +mp-544,Ti3Ir,-8.7075107275,-0.5762831700000001,0.0,-0.1463015275,GGA,Pm-3n,AB3_cP8_223_a_c:Ir-Ti,8.0,AB3_cP8_223_a_c:Ir-Ti +mp-974358,Ir3Ru,-8.9939228875,-0.0464966175,0.0,-0.0248485775,GGA,I4/mmm,A3B_tI8_139_ad_b:Ir-Ru,4.0,A3B_tI8_139_ad_b:Ir-Ru +mp-1217110,Ti4Ru,-8.301838992,-0.1305648707,0.174679788,0.174679788,GGA,Fmmm,AB4_oF20_69_a_2g:Ru-Ti,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Ru-Ti, expected Ti6Ru to be Ti4Ru" +mp-1244924,Ti,-7.7122051535,0.1832868632,0.1832868632,0.1832868632,GGA,P1,A_aP100_1_100a:Ti,100.0,A_aP100_1_100a:Ti +mp-1245006,Ti,-7.7541080328,0.1413839839,0.1413839839,0.1413839839,GGA,P1,A_aP100_1_100a:Ti,100.0,A_aP100_1_100a:Ti +mp-1245164,Ti,-7.7571601314,0.1383318853,0.1383318853,0.1383318853,GGA,P1,A_aP100_1_100a:Ti,100.0,A_aP100_1_100a:Ti +mp-1245170,Ti,-7.725877728,0.1696142887,0.1696142887,0.1696142887,GGA,P1,A_aP100_1_100a:Ti,100.0,A_aP100_1_100a:Ti +mp-1245320,Ti,-7.7403900131,0.1551020036,0.1551020036,0.1551020036,GGA,P1,A_aP100_1_100a:Ti,100.0,A_aP100_1_100a:Ti +mp-1238818,Ti,-7.585184209999999,0.3103078067,0.3103078067,0.3103078067,GGA,P-3m1,A_hP6_164_3d:Ti,6.0,A_hP6_164_5d:Ti +mp-72,Ti,-7.8954920167,0.0,0.0,0.0,GGA,P6/mmm,A_hP3_191_ad:Ti,3.0,A_hP3_191_ad:Ti +mp-46,Ti,-7.89105717,0.0044348467,0.0044348467,0.0044348467,GGA,P6_3/mmc,A_hP2_194_c:Ti,2.0,A_hP2_194_c:Ti +mp-6985,Ti,-7.8335295,0.0619625167,0.0619625167,0.0619625167,GGA,Fm-3m,A_cF4_225_a:Ti,1.0,A_cF4_225_a:Ti +mp-73,Ti,-7.78345591,0.1120361067,0.1120361067,0.1120361067,GGA,Im-3m,A_cI2_229_a:Ti,1.0,A_cI2_229_a:Ti +mp-592,TiRu,-9.348058925,-0.7631116467,0.0,-0.5901370877000001,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Ti,2.0,AB_cP2_221_a_b:Ru-Ti +mp-998947,TiRu3,-9.137990875,-0.2083159658,0.1732398575,0.1732398575,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Ti,4.0,A3B_cP4_221_c_a:Ru-Ti +mp-1103391,Tb2Al,-4.6202981758,-0.2821954992,0.0,-0.0047433883,GGA,Pnma,AB2_oP12_62_c_2c:Al-Tb,12.0,AB2_oP12_62_c_2c:Al-Tb +mp-16502,Ho2Al,-4.5950751242,-0.2916106008,0.0,-0.0156390387,GGA,Pnma,AB2_oP12_62_c_2c:Al-Ho,12.0,AB2_oP12_62_c_2c:Al-Ho +mp-756,TbAl2,-4.5622466883,-0.5204074350000001,0.0,-0.0913292512,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Tb,6.0,A2B_cF24_227_c_b:Al-Tb +mp-11226,Tb3Al,-4.5960855875,-0.183917055,0.0277295694,0.0277295694,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Tb,4.0,AB3_cP4_221_a_c:Al-Tb +mp-1106135,Ho3Al2,-4.571231495,-0.323555841,0.0169934567,0.0169934567,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Ho,20.0,A2B3_tP20_136_j_dfg:Al-Ho +mp-1187350,TbHo3,-4.5708651425,0.024533035,0.024533035,0.024533035,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Tb,4.0,A3B_tI8_139_ad_b:Ho-Tb +mp-1187338,TbHo3,-4.5704999025,0.024898275,0.024898275,0.024898275,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Tb,4.0,A3B_cP4_221_c_a:Ho-Tb +mp-1202952,Tb2Al17,-3.9390878374,-0.0999551368,0.0834251547,0.0834251547,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Al-Tb,38.0,A17B2_hP38_194_fgjk_bc:Al-Tb +mp-11225,TbAl,-4.6061491312000005,-0.4161781662,0.0,-0.0148766992,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Tb,16.0,AB_oP16_57_cd_2d:Al-Tb +mp-1009839,TbAl,-4.58129747,-0.391326505,0.0248516612,0.0099749621,GGA,Pm-3m,AB_cP2_221_a_b:Al-Tb,2.0,AB_cP2_221_a_b:Al-Tb +mp-1217468,TbHo,-4.590621015,0.01776647,0.01776647,0.01776647,GGA,P-6m2,AB_hP2_187_a_d:Ho-Tb,2.0,AB_hP2_187_a_d:Ho-Tb +mp-1208467,Tb4Al,-3.952309249,0.504298797,0.6736160965,0.6736160965,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Tb,10.0,AB4_cF40_227_a_e:Al-Tb +mp-391,HoAl2,-4.53668277,-0.5121625933,0.0,-0.091633199,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Ho,6.0,A2B_cF24_227_c_b:Al-Ho +mp-1187294,Tb3Ho,-4.6003681225,0.02100867,0.02100867,0.02100867,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Tb,4.0,AB3_tI8_139_a_bd:Ho-Tb +mp-1187285,Tb3Ho,-4.6012744975,0.020102295,0.020102295,0.020102295,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Tb,4.0,AB3_cP4_221_a_c:Ho-Tb +mp-1079618,TbAl4,-4.262009312,-0.338675428,0.009747126,0.009747126,GGA,Imma,A4B_oI20_74_aeh_e:Al-Tb,10.0,A4B_oI20_74_aeh_e:Al-Tb +mp-1188420,HoAl,-4.5779496931,-0.4139573431,0.0,-0.012070746,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Ho,16.0,AB_oP16_57_cd_2d:Al-Ho +mp-1212293,Ho4Al,-3.901863897,0.513178365,0.6881447255,0.6881447255,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Ho,10.0,AB4_cF40_227_a_e:Al-Ho +mp-980938,Tb3Al2,-4.593324474,-0.314474482,0.021314084,0.021314084,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Tb,20.0,A2B3_tP20_136_j_dfg:Al-Tb +mp-369,TbAl3,-4.4012444283,-0.4334710308,0.0020571617,-0.0266461002,GGA,R-3m,A3B_hR36_166_dh_bc:Al-Tb,12.0,"Invalid WP multiplicities - A3B_hR36_166_d2h_bc:Al-Tb, expected TbAl5 to be TbAl3" +mp-1189958,TbAl3,-4.39927503,-0.4315016325,0.00402656,-0.0246767019,GGA,R-3m,A3B_hR60_166_d2h_b2c:Al-Tb,20.0,A3B_hR60_166_d2h_b2c:Al-Tb +mp-867232,TbAl3,-4.40330159,-0.4355281925,0.0,-0.0287032619,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Tb,8.0,A3B_hP8_194_h_c:Al-Tb +mp-1186855,TbAl3,-4.3901536475,-0.42238025,0.0131479425,-0.0155553194,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Tb,4.0,A3B_cP4_221_c_a:Al-Tb +mp-898,HoAl3,-4.3752631295,-0.4204790395,0.0033363805,-0.0363570945,GGA,R-3m,A3B_hR60_166_d2h_b2c:Al-Ho,20.0,"Invalid WP multiplicities - A3B_hR60_166_d3h_b2c:Al-Ho, expected Ho5Al21 to be HoAl3" +mp-1102065,HoAl3,-4.37859951,-0.42381542,0.0,-0.039693475,GGA,R-3m,A3B_hR36_166_dh_bc:Al-Ho,12.0,A3B_hR36_166_dh_bc:Al-Ho +mp-1184638,HoAl3,-4.3752287937,-0.4204447037,0.0033707163,-0.0363227588,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Ho,8.0,A3B_hP8_194_h_c:Al-Ho +mp-1877,HoAl3,-4.3765267425,-0.4217426525,0.0020727675,-0.0376207075,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Ho,4.0,A3B_cP4_221_c_a:Al-Ho +mp-1217470,TbHoAl4,-4.5487882033,-0.5156084883000001,0.0006765258,0.0006765258,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ho-Tb,6.0,A4BC_cF24_216_e_a_c:Al-Ho-Tb +mp-1217363,TcRu,-9.876539695,-0.0590189525,0.0,-0.002253565,GGA,P-6m2,AB_hP2_187_a_d:Ru-Tc,2.0,AB_hP2_187_a_d:Ru-Tc +mp-972784,SiTc3,-9.2359018475,-0.1090931312,0.1351013419,0.1351013419,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Tc,8.0,AB3_hP8_194_c_h:Si-Tc +mp-1097311,Si2TcRu,-4.81856736,2.8028520262,3.353848535,3.353848535,GGA,Immm,AB2C_oI8_71_a_e_b:Ru-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Ru-Si-Tc +mp-1256664,Si2TcRu,-4.7786306225,2.8427887637,3.3937852725,3.3937852725,GGA,Immm,AB2C_oI8_71_a_e_b:Ru-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Ru-Si-Tc +mp-1079910,SiTc,-8.3813674337,-0.4883889462,0.0,-0.0385279929,GGA,P2_13,AB_cP8_198_a_a:Si-Tc,8.0,AB_cP8_198_a_a:Si-Tc +mp-861630,Tc3Ru,-10.1353899625,-0.0463101188,0.0,-0.0168006425,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ru-Tc,8.0,AB3_hP8_194_c_h:Ru-Tc +mp-1203760,Si7Tc4,-7.7925304852,-0.5725503043,0.0,-0.2173583434,GGA,P-4c2,A7B4_tP44_116_e3j_ach2i:Si-Tc,44.0,A7B4_tP44_116_e3j_ach2i:Si-Tc +mp-1219219,SiTc4,-9.220523162,0.1530515999999999,0.3484071785,0.3484071785,GGA,Fmmm,AB4_oF20_69_a_2g:Si-Tc,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Si-Tc, expected SiTc6 to be SiTc4" +mp-867356,TcRu3,-9.6131822975,-0.0672206562,0.0,-0.03771118,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ru-Tc,8.0,A3B_hP8_194_h_c:Ru-Tc +mp-866222,AcSi3,-5.3881938112,-0.2889115369,0.0,-0.28385935,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Si,8.0,AB3_hP8_194_c_h:Ac-Si +mp-864809,AcZn3,-2.2258763275,-0.2507748681,0.0,-0.2507748681,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Zn,8.0,AB3_hP8_194_c_h:Ac-Zn +mp-1183122,Ac3Si,-4.4623673237,-0.0151565606,0.081147285,0.081147285,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Si,8.0,A3B_hP8_194_h_c:Ac-Si +mp-1187941,ZnSi3,-3.865362165,0.51856226,0.51856226,0.51856226,GGA,I4/mmm,A3B_tI8_139_ad_b:Si-Zn,4.0,A3B_tI8_139_ad_b:Si-Zn +mp-971761,ZnSi3,-3.8622510425,0.5216733825000001,0.5216733825000001,0.5216733825000001,GGA,Pm-3m,A3B_cP4_221_c_a:Si-Zn,4.0,A3B_cP4_221_c_a:Si-Zn +mp-866289,Ac2ZnSi,-4.020655745,-0.2888028313,0.0,-0.1089073629,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Si-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Si-Zn +mp-1183092,Ac3Zn,-3.3210617375,0.0847554206,0.1683470433,0.1683470433,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Zn,4.0,A3B_tI8_139_ad_b:Ac-Zn +mp-1183116,Ac3Zn,-3.33815636,0.0676607981,0.1512524208,0.1512524208,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Zn,8.0,A3B_hP8_194_h_c:Ac-Zn +mp-1187936,Zn3Si,-2.1045717175,0.1965654975,0.1965654975,0.1965654975,GGA,I4/mmm,AB3_tI8_139_a_bd:Si-Zn,4.0,AB3_tI8_139_a_bd:Si-Zn +mp-1097101,BePt2Au,-2.63972269,2.1491676863,2.2876467395,2.2876467395,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Be-Pt,4.0,ABC2_oI8_71_a_b_e:Au-Be-Pt +mp-1095792,Be2PtAu,-2.5818379275,1.624122335,1.9010804415,1.9010804415,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Be-Pt +mp-1219709,PtAu,-4.63161646,0.0408911999999999,0.0408911999999999,0.0408911999999999,GGA,R-3m,AB_hR6_166_a_b:Au-Pt,2.0,AB_hR6_166_a_b:Au-Pt +mp-1186779,PtAu,-4.605919385,0.066588275,0.066588275,0.066588275,GGA,P-6m2,AB_hP2_187_a_d:Au-Pt,2.0,AB_hP2_187_a_d:Au-Pt +mp-1093854,BeCdPt2,-2.45473883,1.7464034863,2.0482954715,2.0482954715,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cd-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Cd-Pt +mp-1097528,Be2CdPt,-2.00080205,1.6174101525,1.992655947,1.992655947,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cd-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Cd-Pt +mp-1220323,NbTc,-10.360501955,-0.1295299625,0.0,-0.0410421438,GGA,Cmmm,AB_oC4_65_a_c:Nb-Tc,2.0,AB_oC4_65_a_c:Nb-Tc +mp-1220634,Nb2Tc,-10.3057334333,-0.1179837583,0.0,-0.03163045,GGA,Fmmm,A2B_oF12_69_g_a:Nb-Tc,3.0,A2B_oF12_69_g_a:Nb-Tc +mp-1093635,NbTc2Sb,-5.4725538975,3.265342145,3.4624266769,3.4624266769,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Sb-Tc,4.0,ABC2_oI8_71_a_b_e:Nb-Sb-Tc +mp-20465,As2Pd,-5.1556646858,-0.3229584792,0.0,-0.13637556,GGA,Pa-3,A2B_cP12_205_c_a:As-Pd,12.0,A2B_cP12_205_c_a:As-Pd +mp-1214686,As2Pd5,-5.3816601845,-0.3505679188,0.0177729494,0.0177729494,GGA,P6_3cm,A2B5_hP42_185_abc_ab4c:As-Pd,42.0,A2B5_hP42_185_abc_ab4c:As-Pd +mp-2512,AsPd5,-5.3631088308,-0.2700209217,0.0,-0.0268728279,GGA,C2/m,AB5_mC24_12_i_g2ij:As-Pd,12.0,AB5_mC24_12_i_g2ij:As-Pd +mp-22064,Cr2As,-8.0039871856,-0.0155827372,0.1028797394,0.1028797394,GGA,P-62m,AB2_hP9_189_ad_fg:As-Cr,9.0,AB2_hP9_189_ad_fg:As-Cr +mp-8073,AsPd2,-5.3794598467,-0.3731658383,0.0,-0.01679643,GGA,Cmc2_1,AB2_oC24_36_2a_4a:As-Pd,12.0,AB2_oC24_36_2a_4a:As-Pd +mp-1080831,AsPd2,-5.36733323,-0.3610392217,0.0121266167,-0.0046698133,GGA,P-62m,AB2_hP9_189_ad_fg:As-Pd,9.0,AB2_hP9_189_ad_fg:As-Pd +mp-505539,Cr5As3,-7.7973598456,-0.017035775,0.1162345113,0.1162345113,GGA,Pnma,A3B5_oP32_62_cd_3cd:As-Cr,32.0,A3B5_oP32_62_cd_3cd:As-Cr +mp-1105134,AsPd3,-5.4144130994,-0.3647221406,0.0,-0.038318321,GGA,I-4,AB3_tI32_82_g_3g:As-Pd,16.0,AB3_tI32_82_g_3g:As-Pd +mp-28704,Cr4As3,-7.6214882014,-0.108696045,0.0436128536,0.0436128536,GGA,C2/m,A3B4_mC28_12_3i_ac3i:As-Cr,14.0,A3B4_mC28_12_3i_ad3i:As-Cr +mp-1205827,CrAsPd,-6.7038685289,-0.2065193006,0.0392948569,0.0392948569,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Cr-Pd,9.0,ABC_hP9_189_ad_f_g:As-Cr-Pd +mp-1228793,AsPd4,-5.231646554,-0.155917425,0.1519839842,0.1519839842,GGA,I4/mmm,AB4_tI10_139_a_2e:As-Pd,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_3e:As-Pd, expected AsPd6 to be AsPd4" +mp-15681,CrAs2,-6.4448949267,-0.1211334999999999,0.0,-0.0026710233,GGA,C2/m,A2B_mC12_12_2i_i:As-Cr,6.0,A2B_mC12_12_2i_i:As-Cr +mp-1226166,CrPd,-7.152484705,0.263979935,0.3135977683,0.3135977683,GGA,R-3m,AB_hR6_166_a_b:Cr-Pd,2.0,AB_hR6_166_a_b:Cr-Pd +mp-568565,CrAs,-7.3337766525,-0.177693715,0.0,-0.0652664335,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Cr,4.0,AB_hP4_194_c_a:As-Cr +mp-1183700,Cr3As,-8.289639835,0.1149253688,0.2037722263,0.2037722263,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Cr,4.0,AB3_tI8_139_a_bd:As-Cr +mp-1213747,Cr3As,-8.47865425,-0.0740890463,0.0147578112,0.0147578112,GGA,Pm-3n,AB3_cP8_223_a_c:As-Cr,8.0,AB3_cP8_223_a_c:As-Cr +mp-1183682,Cr3As,-8.2642098975,0.1403553062,0.2292021637,0.2292021637,GGA,Fm-3m,AB3_cF16_225_a_bc:As-Cr,4.0,AB3_cF16_225_a_bc:As-Cr +mp-865786,CrPd3,-6.372599975,-0.07442675,0.0,-0.07442675,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Pd,4.0,AB3_cP4_221_a_c:Cr-Pd +mp-1199529,Hf2As,-8.9950631469,-0.8038976586000001,0.0,-0.0086729304,GGA,Pnnm,AB2_oP36_58_3g_6g:As-Hf,36.0,AB2_oP36_58_3g_6g:As-Hf +mp-11452,HfOs,-11.301092835,-0.708814605,0.0,-0.2915288679,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Os,2.0,AB_cP2_221_a_b:Hf-Os +mp-1007693,HfOs3,-11.0051311525,-0.0953083225,0.25909898,0.25909898,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Os,4.0,AB3_cP4_221_a_c:Hf-Os +mp-1190267,Hf3As2,-8.742539407,-0.904578627,0.0,-0.0096567034,GGA,Pnma,A2B3_oP20_62_2c_3c:As-Hf,20.0,A2B3_oP20_62_2c_3c:As-Hf +mp-1191415,Hf2Os,-10.8074363025,-0.4268544725,0.0456885975,0.0456885975,GGA,Fd-3m,A2B_cF96_227_cf_e:Hf-Os,24.0,A2B_cF96_227_cf_e:Hf-Os +mp-1197748,Hf5As3,-8.8396793611,-0.8692668155000001,0.0,-0.0017556242,GGA,Pnma,A3B5_oP64_62_6c_10c:As-Hf,64.0,A3B5_oP64_62_6c_10c:As-Hf +mp-570960,HfOs2,-11.2116916317,-0.4077170017,0.0648260683,0.0648260683,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Hf-Os,12.0,AB2_hP12_194_f_ah:Hf-Os +mp-1192251,Hf7As4,-8.8812802505,-0.8506623568,0.0007765068,0.0007765068,GGA,C2/m,A4B7_mC44_12_4i_ad6i:As-Hf,22.0,A4B7_mC44_12_4i_ac6i:As-Hf +mp-9954,HfAs,-8.3056960737,-0.9975423562,0.0,-0.1498878641,GGA,P6_3/mmc,AB_hP8_194_ac_f:As-Hf,8.0,AB_hP8_194_ac_f:As-Hf +mp-2455,As2Os,-7.067428355,-0.2188936083,0.0,-0.2188936083,GGA,Pnnm,A2B_oP6_58_g_a:As-Os,6.0,A2B_oP6_58_g_a:As-Os +mp-1079823,HfAsOs,-9.17309011,-0.5585318217,0.1064964158,0.1064964158,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Hf-Os,9.0,ABC_hP9_189_ad_f_g:As-Hf-Os +mp-582067,Hf3As,-9.2754426231,-0.6427712494000001,0.0,-0.0398480054,GGA,C2/c,AB3_mC64_15_2f_6f:As-Hf,32.0,"Invalid WP multiplicities - AB3_mC64_15_4f_21f:As-Hf, expected Hf21As4 to be Hf3As" +mp-568048,Hf54Os17,-10.5802971558,-0.3189809032,0.0204514428,0.0204514428,GGA,Immm,A54B17_oI142_71_egi2l2m2n3o_afhlmn:Hf-Os,71.0,"Invalid WP multiplicities - A54B17_oI142_71_2e2g2i6l7m8n22o_af2h3l4m3n:Hf-Os, expected Hf272Os47 to be Hf54Os17" +mp-29646,HfAs2,-7.1779228808,-0.7527809342,0.0,-0.0877526967,GGA,Pnma,A2B_oP12_62_2c_c:As-Hf,12.0,A2B_oP12_62_2c_c:As-Hf +mp-30581,Hf2Cu,-8.16446756,-0.1599393167,0.0,-0.0588565793,GGA,I4/mmm,AB2_tI6_139_a_e:Cu-Hf,3.0,AB2_tI6_139_a_e:Cu-Hf +mp-1184704,HfCu3,-5.653469495,-0.089767235,0.0724953201,0.0724953201,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Hf,4.0,A3B_tI8_139_ad_b:Cu-Hf +mp-865176,HfCu3,-5.6519672225,-0.0882649625,0.0739975926,0.0739975926,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-Hf,4.0,A3B_cF16_225_ac_b:Cu-Hf +mp-7353,Hf3Cu8,-5.8633689611,-0.1665307384,0.0,-0.0041640936,GGA,Pnma,A8B3_oP44_62_4c2d_cd:Cu-Hf,44.0,A8B3_oP44_62_4c2d_cd:Cu-Hf +mp-864939,Hf2CuIr,-8.7888303875,-0.57582566,0.0276596261,0.0276596261,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Hf-Ir,4.0,AB2C_cF16_225_a_c_b:Cu-Hf-Ir +mp-1212499,Hf5Ir3,-10.3617526129,-0.8240966517,0.0,-0.1131062029,GGA,P6_122,A5B3_hP48_178_a2bc_ac:Hf-Ir,48.0,A5B3_hP48_178_a2bc_ac:Hf-Ir +mp-1189573,Hf5Ir3,-10.3446150863,-0.806959125,0.0171375267,-0.0959686763,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Hf-Ir,16.0,A5B3_hP16_193_dg_g:Hf-Ir +mp-1224756,Hf14Cu51,-5.5166877311,-0.1557617835,0.0,-0.0242452004,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Cu-Hf,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Cu-Hf, expected Hf14Cu71 to be Hf14Cu51" +mp-1200988,Hf7Cu10,-6.6896983547,-0.1783813012,0.0,-0.0141769469,GGA,Cmce,A10B7_oC68_64_f2g_adef:Cu-Hf,34.0,A10B7_oC68_64_f2g_adef:Cu-Hf +mp-2126,HfIr3,-9.9351878575,-0.817064965,0.0,-0.3430713325,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Ir,4.0,AB3_cP4_221_a_c:Hf-Ir +mp-1007786,HfIr,-10.34579887,-0.947987265,0.0,-0.1262345089,GGA,P2_1/m,AB_mP4_11_e_e:Hf-Ir,4.0,AB_mP4_11_e_e:Hf-Ir +mp-1002122,HfIr,-10.30337068,-0.905559075,0.04242819,-0.0838063189,GGA,Pm-3m,AB_cP2_221_a_b:Hf-Ir,2.0,AB_cP2_221_a_b:Hf-Ir +mp-1018055,HfIr,-10.326703475,-0.92889187,0.019095395,-0.1071391139,GGA,Pmma,AB_oP4_51_e_f:Hf-Ir,4.0,AB_oP4_51_e_f:Hf-Ir +mp-1206659,HfIr,-10.3079844775,-0.9101728725,0.0378143925,-0.0884201164,GGA,P4/mmm,AB_tP2_123_a_d:Hf-Ir,4.0,AB_tP2_123_a_d:Hf-Ir +mp-1226933,Cd3Ag,-1.417640465,-0.0173341442,0.0276454502,0.0276454502,GGA,P-6m2,AB3_hP4_187_a_bh:Ag-Cd,4.0,AB3_hP4_187_a_bh:Ag-Cd +mp-1226728,CdAg,-1.921416215,-0.0436933333,0.0198756739,0.0198756739,GGA,Amm2,AB_oC4_38_a_b:Ag-Cd,2.0,AB_oC4_38_a_b:Ag-Cd +mp-1226716,CdAg,-1.89742755,-0.0197046683,0.0438643389,0.0438643389,GGA,Cmmm,AB_oC4_65_a_c:Ag-Cd,2.0,AB_oC4_65_a_c:Ag-Cd +mp-1226726,CdAg,-1.896396115,-0.0186732333,0.0448957739,0.0448957739,GGA,R-3m,AB_hR6_166_a_b:Ag-Cd,2.0,AB_hR6_166_a_b:Ag-Cd +mp-2642,CdAg,-1.93464121,-0.0569183283,0.0066506789,0.0066506789,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Cd,2.0,AB_cP2_221_a_b:Ag-Cd +mp-19783,GdAg2,-6.8704347767,-0.2900233611,0.0,-0.0842316622,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Gd,3.0,A2B_tI6_139_e_a:Ag-Gd +mp-567857,Cd8Ag5,-1.7265761527,-0.069199376,0.0,-0.0254160465,GGA,I-43m,A5B8_cI52_217_ce_cg:Ag-Cd,26.0,"Invalid WP multiplicities - A5B8_cI52_217_3c3e_2c3g:Ag-Cd, expected Cd22Ag15 to be Cd8Ag5" +mp-1183647,CdAg3,-2.4039030375,-0.048763595,0.00260628,-0.0203044308,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Cd,4.0,A3B_tI8_139_ad_b:Ag-Cd +mp-1226736,CdAg3,-2.3644266225,-0.00928718,0.042082695,0.0191719842,GGA,R-3m,A3B_hR12_166_ac_b:Ag-Cd,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ag-Cd, expected CdAg5 to be CdAg3" +mp-865910,CdAg3,-2.4006268325,-0.04548739,0.005882485,-0.0170282258,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Cd,8.0,A3B_hP8_194_h_c:Ag-Cd +mp-1183627,CdAg3,-2.4065093175,-0.051369875,0.0,-0.0229107108,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Cd,4.0,A3B_cP4_221_c_a:Ag-Cd +mp-22138,GdCd3,-4.4918157463,-0.2806178663,0.0,-0.0392402063,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Gd,8.0,A3B_hP8_194_h_c:Cd-Gd +mp-1184421,Gd3Cd,-10.9148407375,-0.1270266175,0.045519945,0.045519945,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Gd,8.0,AB3_hP8_194_c_h:Cd-Gd +mp-20965,GdCd2,-5.6291374667,-0.32183688,0.0,-0.0197272608,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Gd,3.0,A2B_hP3_191_c_b:Cd-Gd +mp-1031,GdCd,-7.844599125,-0.345093125,0.0,-0.10118035,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Gd,2.0,AB_cP2_221_a_b:Cd-Gd +mp-1185588,Gd3Ag,-11.2931985137,-0.0279678329,0.1263759413,0.1263759413,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Gd,8.0,AB3_hP8_194_c_h:Ag-Gd +mp-542779,GdAg,-8.76302667,-0.3086875483,0.0,-0.0911700275,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Gd,2.0,AB_cP2_221_a_b:Ag-Gd +mp-1184474,GdAg3,-4.6170731775,1.026374385,1.2438919058,1.2438919058,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Gd,8.0,A3B_hP8_194_h_c:Ag-Gd +mp-1184477,GdCdAg2,-5.443613825,-0.2775828233,0.0,-0.0335161401,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Gd,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Gd +mp-20656,DyMn12,-8.8154889954,-0.0038758919,0.0,-0.0038758919,GGA,I4/mmm,AB12_tI26_139_a_fij:Dy-Mn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Dy-Mn, expected DyMn16 to be DyMn12" +mp-1213216,Dy4Mn,-4.966187349,0.5516451814000001,0.5524849580000001,0.5524849580000001,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Mn,10.0,A4B_cF40_227_e_a:Dy-Mn +mp-1225797,DyErMn4,-7.5362591192,0.1008353505,0.1080829119,0.1080829119,GGA,P-3m1,ABC4_hP12_164_d_d_abi:Dy-Er-Mn,12.0,ABC4_hP12_164_d_d_abi:Dy-Er-Mn +mp-1225587,DyErMn4,-7.5187249267,0.118369543,0.1256171044,0.1256171044,GGA,F-43m,ABC4_cF24_216_a_c_e:Dy-Er-Mn,6.0,ABC4_cF24_216_a_c_e:Dy-Er-Mn +mp-1184100,Dy3Er,-4.5719802225,0.02503961,0.02503961,0.02503961,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Er,4.0,A3B_cP4_221_c_a:Dy-Er +mp-1102404,DyMn2,-7.5293651183,0.1142406897,0.117039945,0.117039945,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Mn,12.0,AB2_hP12_194_f_ah:Dy-Mn +mp-2483,DyMn2,-7.502223325,0.141382483,0.1441817383,0.1441817383,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Mn,6.0,AB2_cF24_227_a_d:Dy-Mn +mp-1192635,Dy6Mn23,-8.1978122966,0.0217419365,0.025072085,0.025072085,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Dy-Mn,29.0,A6B23_cF116_225_e_ad2f:Dy-Mn +mp-22482,ErMn12,-8.8186429554,-0.010035085,0.0,-0.0074140449,GGA,I4/mmm,AB12_tI26_139_a_fij:Er-Mn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Er-Mn, expected ErMn16 to be ErMn12" +mp-1183856,DyEr3,-4.5671260512,0.0103597662,0.0103597662,0.0103597662,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Er,8.0,AB3_hP8_194_c_h:Dy-Er +mp-1225278,DyEr,-4.574262965,0.01298986,0.01298986,0.01298986,GGA,P-6m2,AB_hP2_187_a_d:Dy-Er,2.0,AB_hP2_187_a_d:Dy-Er +mp-1193393,Er6Mn23,-8.2185208866,-0.0070496942,0.0015724047,0.0015724047,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Er-Mn,29.0,A6B23_cF116_225_e_ad2f:Er-Mn +mp-1095567,ErMn2,-7.570450875,0.0601322564,0.0673798178,0.0673798178,GGA,C2/m,AB2_mC24_12_2i_acij:Er-Mn,12.0,AB2_mC24_12_2i_adij:Er-Mn +mp-1102409,ErMn2,-7.4842744517,0.1463086797,0.1535562411,0.1535562411,GGA,Cmcm,AB2_oC24_63_f_acg:Er-Mn,12.0,AB2_oC24_63_f_acg:Er-Mn +mp-11855,ErMn2,-7.5962485342,0.0343345972,0.0415821586,0.0415821586,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Mn,12.0,AB2_hP12_194_f_ah:Er-Mn +mp-571090,ErMn2,-7.54313095,0.0874521814,0.0946997428,0.0946997428,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Mn,6.0,AB2_cF24_227_a_d:Er-Mn +mp-644739,LaGa6,-3.6659671507,-0.3653124021,0.0,-0.063777635,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-La,14.0,A6B_tP14_125_gm_c:Ga-La +mp-1002133,LaGa,-4.57376152,-0.5917099562,0.0,-0.0264156063,GGA,Cmcm,AB_oC8_63_c_c:Ga-La,4.0,AB_oC8_63_c_c:Ga-La +mp-1104417,La5Ru2,-6.4483435393,-0.2727948814,0.0,-0.0049490546,GGA,C2/c,A5B2_mC28_15_e2f_f:La-Ru,14.0,A5B2_mC28_15_e2f_f:La-Ru +mp-1072429,Ga2Ru,-5.5235796383,-0.4133814433,0.0,-0.0549630442,GGA,Fddd,A2B_oF24_70_e_a:Ga-Ru,6.0,A2B_oF24_70_e_a:Ga-Ru +mp-1213370,Ga2Ru,-5.1180270267,-0.0078288317,0.4055526117,0.3505895675,GGA,Fd-3m,A2B_cF48_227_e_c:Ga-Ru,12.0,A2B_tI24_141_h_c:Ga-Ru +mp-19839,LaGa2,-4.3676475067,-0.7035811233,0.0,-0.217523359,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-La,3.0,A2B_hP3_191_c_b:Ga-La +mp-1199411,La3(GaRu)2,-6.1314044555,-0.5009732498,0.0,-0.0848254681,GGA,P2_1/m,A2B3C2_mP42_11_a3ef_3e3f_3f:Ga-La-Ru,42.0,A2B3C2_mP42_11_a3ef_3e3f_3f:Ga-La-Ru +mp-1189592,La3Ru,-6.2560616437,-0.23545568,0.0032398413,0.0032398413,GGA,Pnma,A3B_oP16_62_cd_c:La-Ru,16.0,A3B_oP16_62_cd_c:La-Ru +mp-1185165,La3Ru,-5.8899930275,0.1306129363,0.3693084575,0.3693084575,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Ru,4.0,A3B_tI8_139_ad_b:La-Ru +mp-2019,LaRu2,-7.9602046267,-0.1319338983,0.0017812852,0.0017812852,GGA,Fd-3m,AB2_cF24_227_a_d:La-Ru,6.0,AB2_cF24_227_a_d:La-Ru +mp-1202486,La7Ru3,-6.518327621,-0.2808018855,0.0,-0.0132892909,GGA,Pnma,A7B3_oP40_62_c3d_cd:La-Ru,40.0,A7B3_oP40_62_c3d_cd:La-Ru +mp-20487,La3Ga,-4.7212523175,-0.2622229831,0.0454965302,0.0454965302,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-La,4.0,AB3_cP4_221_a_c:Ga-La +mp-1211948,La2(Ga3Ru)3,-5.1754476704,-0.536298668,0.0,-0.0133095562,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-La-Ru,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-La-Ru +mp-672204,Ga3Ru,-4.9768085737,-0.3871359219,0.0,-0.0770998394,GGA,P4_2/mnm,A3B_tP16_136_cj_f:Ga-Ru,16.0,A3B_tP16_136_cj_f:Ga-Ru +mp-22320,GaRu,-6.452232635,-0.3009833537,0.0090527288,0.0090527288,GGA,Pm-3m,AB_cP2_221_a_b:Ga-Ru,2.0,AB_cP2_221_a_b:Ga-Ru +mp-672217,La5Ga3,-4.6821197191,-0.46157927,0.0,-0.0177968028,GGA,P4/ncc,A3B5_tP32_130_cf_cg:Ga-La,32.0,"Invalid WP multiplicities - A3B5_tP32_130_3c3f_4c4g:Ga-La, expected La20Ga9 to be La5Ga3" +mp-1211363,La4Ru,-5.6817560060000005,0.121930186,0.312886603,0.312886603,GGA,Fd-3m,A4B_cF40_227_e_a:La-Ru,10.0,A4B_cF40_227_e_a:La-Ru +mp-1209947,Sc44Ru7,-6.9480572478,-0.2117933576,0.0,-6.81267e-05,GGA,F-43m,A7B44_cF408_216_2ef_4efg5h:Ru-Sc,102.0,A7B44_cF408_216_2ef_4efg5h:Ru-Sc +mp-1186393,NpSc3,-7.648608785,0.3376879641,0.3376879641,0.3376879641,GGA,I4/mmm,AB3_tI8_139_a_bd:Np-Sc,4.0,AB3_tI8_139_a_bd:Np-Sc +mp-30867,ScRu,-8.346511335,-0.5430755125,0.0,-0.1151987929,GGA,Pm-3m,AB_cP2_221_a_b:Ru-Sc,2.0,AB_cP2_221_a_b:Ru-Sc +mp-1194143,Sc11Ru4,-7.521478253,-0.4044935653,0.0,-0.0454136598,GGA,Fm-3m,A4B11_cF120_225_abd_e2f:Ru-Sc,30.0,A4B11_cF120_225_abd_e2f:Ru-Sc +mp-973022,ScRu3,-8.58908686,-0.0501676788,0.2423771725,0.2423771725,GGA,I4/mmm,A3B_tI8_139_ad_b:Ru-Sc,4.0,A3B_tI8_139_ad_b:Ru-Sc +mp-973004,ScRu3,-8.58645528,-0.0475360987,0.2450087525,0.2450087525,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Sc,4.0,A3B_cP4_221_c_a:Ru-Sc +mp-1036,NpRu2,-10.3372828817,0.1615787054,0.1615787054,0.1615787054,GGA,Fd-3m,AB2_cF24_227_a_d:Np-Ru,6.0,AB2_cF24_227_a_d:Np-Ru +mp-1210377,Sc57Ru13,-7.1653053718,-0.2864772003,0.0,-0.0025255398,GGA,Pm-3,A13B57_cP140_200_abjk_efh2j2k2l:Ru-Sc,140.0,A13B57_cP140_200_abjk_efh2j2k2l:Ru-Sc +mp-1209003,Sc5Ru3,-7.8919335513,-0.4562394081,0.0125957755,0.0125957755,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ru-Sc,16.0,A3B5_hP16_193_g_dg:Ru-Sc +mp-1186344,NpScRu2,-9.5744324975,-0.1171690309,0.1753758203,0.1753758203,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Np-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Np-Ru-Sc +mp-567750,ScRu2,-8.6838178633,-0.3900598017,0.0,-0.02800946,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Sc,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Ru-Sc, expected ScRu4 to be ScRu2" +mp-861487,PrHg3,-1.8254061862,-0.4024194738,0.0,-0.0808079781,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Pr,8.0,A3B_hP8_194_h_c:Hg-Pr +mp-880,Pr2Fe17,-8.0267653179,0.0549279495,0.0549279495,0.0549279495,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Pr,19.0,"Invalid WP multiplicities - A17B2_hR57_166_cdf2h_c:Fe-Pr, expected Pr2Fe23 to be Pr2Fe17" +mp-1186716,Pr3Hg,-3.8191001025,-0.157500695,0.0796591225,0.0796591225,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Pr,4.0,AB3_tI8_139_a_bd:Hg-Pr +mp-1199872,Pr11Hg45,-1.4720236753,-0.2888883229,0.0272984064,0.0272984064,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Pr,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Pr +mp-1198021,Pr6Fe13Hg,-6.9869308725,-0.0319613412,0.0154706223,0.0154706223,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Hg-Pr,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Hg-Pr +mp-2373,PrFe2,-7.1227411517,0.1175749067,0.1175749067,0.1175749067,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Pr,6.0,A2B_cF24_227_c_b:Fe-Pr +mp-11469,PrHg,-3.016612695,-0.474319635,0.0,-0.1943595506,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Pr,2.0,AB_cP2_221_a_b:Hg-Pr +mp-1184346,FeHg3,-1.8890353862,0.45623019,0.45623019,0.45623019,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Hg,8.0,AB3_hP8_194_c_h:Fe-Hg +mp-1209804,Pr4Fe,-5.083784942,0.434943904,0.434943904,0.434943904,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Pr,10.0,AB4_cF40_227_a_e:Fe-Pr +mp-1212517,HfBr4,-5.116213608,-1.882353138,0.0,-0.5202140820000001,GGA,Pa-3,A4B_cP40_205_cd_c:Br-Hf,40.0,A4B_cP40_205_cd_c:Br-Hf +mp-864915,HfBr3,-5.356742325,-1.70267382,0.0620322469,0.0620322469,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Hf,8.0,A3B_hP8_194_h_c:Br-Hf +mp-975411,RbBr3,-2.4875006825,-1.0775959169,0.0,-0.0423231775,GGA,I4/mmm,A3B_tI8_139_ad_b:Br-Rb,4.0,A3B_tI8_139_ad_b:Br-Rb +mp-974972,Rb3Hf,-2.0145113325,1.2101864794,1.2101864794,1.2101864794,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Rb,4.0,AB3_tI8_139_a_bd:Hf-Rb +mp-1186851,Rb3Hf,-2.0467841338,1.1779136781,1.1779136781,1.1779136781,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Rb,8.0,AB3_hP8_194_c_h:Hf-Rb +mp-1190209,RbHf2Br9,-4.8780973183,-1.9720833931,0.0,-0.058364865,GGA,P2/c,A9B2C_mP24_13_e4g_g_f:Br-Hf-Rb,24.0,A9B2C_mP24_13_e4g_g_f:Br-Hf-Rb +mp-23303,RbBr,-3.282144205,-2.0153630037,0.055182475,-1.2969657258,GGA,Pm-3m,AB_cP2_221_a_b:Br-Rb,2.0,AB_cP2_221_a_b:Br-Rb +mp-22867,RbBr,-3.33732668,-2.0705454787,0.0,-1.3521482008,GGA,Fm-3m,AB_cF8_225_a_b:Br-Rb,2.0,AB_cF8_225_a_b:Br-Rb +mp-1105896,La5Pb3,-5.0294079844,-0.5521608925,0.0,-0.0008740554,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:La-Pb,16.0,A5B3_hP16_193_dg_g:La-Pb +mp-573855,La7Ni3,-5.41567929,-0.2264333125,0.0,-0.01281482,GGA,P6_3mc,A7B3_hP20_186_b2c_c:La-Ni,20.0,"Invalid WP multiplicities - A7B3_hP20_186_2b9c_c:La-Ni, expected La29Ni3 to be La7Ni3" +mp-1188908,La2Ni7,-5.907891295,-0.315338965,0.0,-0.0056581061,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:La-Ni,18.0,A2B7_hR54_166_2c_a2cdh:La-Ni +mp-1679,La2Ni7,-5.9076714122,-0.3151190822,0.0002198828,-0.0054382233,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:La-Ni,36.0,"Invalid WP multiplicities - A2B7_hP36_194_2f_aefh2k:La-Ni, expected LaNi5 to be La2Ni7" +mp-602393,La4Ni3Pb4,-5.0400123473,-0.31864628,0.154117425,0.154117425,GGA,R3,A4B3C4_hR33_146_ab_b_ab:La-Ni-Pb,11.0,"Invalid WP multiplicities - A4B3C4_hR33_146_a2b_b_a2b:La-Ni-Pb, expected La7Ni3Pb7 to be La4Ni3Pb4" +mp-1189497,La3Ni,-5.3321277681,-0.1850882694,0.0036061577,0.0036061577,GGA,Pnma,A3B_oP16_62_cd_c:La-Ni,16.0,A3B_oP16_62_cd_c:La-Ni +mp-1206936,LaPb2,-4.4242840833,-0.303850335,0.1905114662,0.1905114662,GGA,I4/mmm,AB2_tI6_139_a_e:La-Pb,3.0,AB2_tI6_139_a_e:La-Pb +mp-21691,La5Pb4,-5.0123599617,-0.6200684278,0.0,-0.002445424,GGA,Pnma,A5B4_oP36_62_c2d_2cd:La-Pb,36.0,A5B4_oP36_62_c2d_2cd:La-Pb +mp-569446,NiPb,-4.659023795,0.08736808,0.08736808,0.08736808,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-Pb,4.0,AB_hP4_194_a_c:Ni-Pb +mp-21432,LaPb3,-4.465708895,-0.4472218162,0.0,-0.1681910238,GGA,Pm-3m,AB3_cP4_221_a_c:La-Pb,4.0,AB3_cP4_221_a_c:La-Pb +mp-2317,LaNi5,-5.9211583050000005,-0.2817098875,0.0,-0.0452056637,GGA,P6/mmm,AB5_hP6_191_a_cg:La-Ni,6.0,AB5_hP6_191_a_cg:La-Ni +mp-542804,La5NiPb3,-5.1634374356,-0.5414248339000001,0.0186644844,0.0186644844,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:La-Ni-Pb,18.0,A5BC3_hP18_193_dg_b_g:La-Ni-Pb +mp-1211984,La12Ni6Pb,-5.4467464068,-0.3085594379,0.0,-0.0063387044,GGA,Im-3,A12B6C_cI38_204_g_e_a:La-Ni-Pb,19.0,A12B6C_cI38_204_g_e_a:La-Ni-Pb +mp-867883,La3Pb,-5.006014855,-0.3758477588,0.0,-0.0077404971,GGA,Pm-3m,A3B_cP4_221_c_a:La-Pb,4.0,A3B_cP4_221_c_a:La-Pb +mp-1213461,La4Ni,-4.959976039,0.144856981,0.2958125227,0.2958125227,GGA,Fd-3m,A4B_cF40_227_e_a:La-Ni,10.0,A4B_cF40_227_e_a:La-Ni +mp-571336,La4Pb3,-5.0381849607,-0.6264750136,0.0,-0.0219283081,GGA,I-43d,A4B3_cI28_220_c_a:La-Pb,14.0,A4B3_cI28_220_c_a:La-Pb +mp-976830,Ni3Pb,-5.12459532,0.1386689575,0.1386689575,0.1386689575,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Pb,4.0,A3B_cP4_221_c_a:Ni-Pb +mp-1064719,LaNi,-5.6858112775,-0.327739385,0.0,-0.0341478208,GGA,Cmcm,AB_oC8_63_c_c:La-Ni,4.0,AB_oC8_63_c_c:La-Ni +mp-582055,La7Ni16,-5.8683973939000005,-0.345169715,0.0,-0.02023368,GGA,I-42m,A7B16_tI46_121_adi_2ij:La-Ni,23.0,"Invalid WP multiplicities - A7B16_tI46_121_a2d2i_7i5j:La-Ni, expected La13Ni68 to be La7Ni16" +mp-1691,La2Ni3,-5.7696555400000005,-0.32717069,0.0094775303,0.0094775303,GGA,Cmce,A2B3_oC20_64_f_ae:La-Ni,10.0,A2B3_oC20_64_f_ae:La-Ni +mp-2764,LaNi3,-5.8927706308,-0.3236663446,0.0017624329,0.0017624329,GGA,R-3m,AB3_hR36_166_ac_bch:La-Ni,12.0,"Invalid WP multiplicities - AB3_hR36_166_ac_bc2h:La-Ni, expected LaNi5 to be LaNi3" +mp-2708,LaNi2,-5.81770817,-0.318948015,0.0236394289,0.0236394289,GGA,Fd-3m,AB2_cF24_227_a_d:La-Ni,6.0,AB2_cF24_227_a_d:La-Ni +mp-1187555,Tl3Cd,-1.9702755675,0.0324292325,0.0324292325,0.0324292325,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Tl,4.0,AB3_tI8_139_a_bd:Cd-Tl +mp-979269,Tl3Cd,-1.966033365,0.036671435,0.036671435,0.036671435,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Tl,4.0,AB3_cP4_221_a_c:Cd-Tl +mp-1187513,Tl3Cd,-1.919254325,0.083450475,0.083450475,0.083450475,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Tl,4.0,AB3_cF16_225_a_bc:Cd-Tl +mp-977589,Tm2TlCd,-3.365412795,-0.3061118567,0.0,-0.0102549975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Tl-Tm,4.0,ABC2_cF16_225_a_b_c:Cd-Tl-Tm +mp-30708,HfNi2,-7.6561897183,-0.483702255,0.0480762987,0.0480762987,GGA,Fd-3m,AB2_cF24_227_a_d:Hf-Ni,6.0,AB2_cF24_227_a_d:Hf-Ni +mp-861,Hf2Ni,-8.905189875,-0.3403516283,0.0057491817,0.0057491817,GGA,I4/mcm,A2B_tI12_140_h_a:Hf-Ni,6.0,A2B_tI12_140_h_a:Hf-Ni +mp-1018715,Hf5Pb,-8.87967242,0.0367596167,0.04856076,0.04856076,GGA,P4/mmm,A5B_tP6_123_agh_d:Hf-Pb,6.0,A5B_tP6_123_agh_d:Hf-Pb +mp-7285,HfNi3,-7.3605076608,-0.5361078933,0.0019843297,-0.0560342696,GGA,R-3m,AB3_hR36_166_ac_eh:Hf-Ni,12.0,"Invalid WP multiplicities - AB3_hR36_166_ac_e2h:Hf-Ni, expected HfNi5 to be HfNi3" +mp-12174,HfNi3,-7.3624919905,-0.538092223,0.0,-0.0580185992,GGA,P6_3/mmc,AB3_hP40_194_b2f_h2k:Hf-Ni,40.0,"Invalid WP multiplicities - AB3_hP40_194_b2f_h3k:Hf-Ni, expected Hf5Ni21 to be HfNi3" +mp-1184730,HfNi3,-7.3508435225,-0.5264437550000001,0.011648468,-0.0463701312,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Ni,8.0,AB3_hP8_194_c_h:Hf-Ni +mp-27165,Hf8Ni21,-7.4275716972,-0.4951447138,0.0409880946,0.0409880946,GGA,P-1,A8B21_aP29_2_4i_a10i:Hf-Ni,29.0,"Invalid WP multiplicities - A8B21_aP29_2_4i_a11i:Hf-Ni, expected Hf8Ni23 to be Hf8Ni21" +mp-1188785,Hf9Ni11,-8.115781791,-0.4559715535,0.0669678631,0.0669678631,GGA,I4/m,A9B11_tI40_87_a2h_bdi:Hf-Ni,20.0,A9B11_tI40_87_a2h_bdi:Hf-Ni +mp-27166,Hf3Ni7,-7.535188157,-0.5019357720000001,0.0323682494,0.0323682494,GGA,P-1,A3B7_aP20_2_3i_be6i:Hf-Ni,20.0,A3B7_aP20_2_3i_be6i:Hf-Ni +mp-1018056,HfNi,-8.38781407,-0.519151215,0.0,-0.0638388638,GGA,Cmcm,AB_oC8_63_c_c:Hf-Ni,4.0,AB_oC8_63_c_c:Hf-Ni +mp-1198091,Hf7Ni10,-8.0162733226,-0.5161739103,0.0096623664,0.0096623664,GGA,Cmce,A7B10_oC68_64_adef_f2g:Hf-Ni,34.0,A7B10_oC68_64_adef_f2g:Hf-Ni +mp-569516,HfNi5,-6.8216756317,-0.34536356,0.0133645887,0.0133645887,GGA,F-43m,AB5_cF24_216_a_ce:Hf-Ni,6.0,"Invalid WP multiplicities - AB5_cF24_216_a_c2e:Hf-Ni, expected HfNi9 to be HfNi5" +mp-1184772,Hf3Pb,-8.413755255,-0.017701715,0.0,-0.017701715,GGA,I4/mmm,A3B_tI8_139_ad_b:Hf-Pb,4.0,A3B_tI8_139_ad_b:Hf-Pb +mp-1006132,Hf3Pb,-8.4046756587,-0.0086221187,0.0090795963,-0.0086221187,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Pb,8.0,A3B_hP8_194_h_c:Hf-Pb +mp-1184703,Hf3Pb,-8.40635533,-0.01030179,0.007399925,-0.01030179,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Pb,4.0,A3B_cP4_221_c_a:Hf-Pb +mp-1205858,Hf2Ni7,-7.1722566922,-0.4638861567,0.0144180416,0.0144180416,GGA,C2/m,A2B7_mC18_12_i_aej:Hf-Ni,9.0,A2B7_mC18_12_i_afj:Hf-Ni +mp-1184747,Hf3Ni,-8.8739186425,0.0390073,0.2985829075,0.2985829075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Ni,8.0,A3B_hP8_194_h_c:Hf-Ni +mp-1184570,Hf3Ni,-8.876848335,0.0360776075,0.295653215,0.295653215,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Ni,4.0,A3B_cP4_221_c_a:Hf-Ni +mp-961732,HfNiPb,-5.9950971433,0.4882271167,0.8343279267,0.8343279267,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Ni-Pb,3.0,ABC_cF12_216_a_b_c:Hf-Ni-Pb +mp-865349,Li2GdTl,-5.3034651475,-0.2393123675,0.0,-0.0083653773,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Gd-Li-Tl +mp-20503,GdTl3,-5.5444218625,-0.2534089425,0.0,-0.0631975617,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Tl,4.0,AB3_cP4_221_a_c:Gd-Tl +mp-1077191,Li2Tl,-2.29595093,-0.23578797,0.0,-0.0009955622,GGA,Cmcm,A2B_oC12_63_2c_c:Li-Tl,6.0,A2B_oC12_63_2c_c:Li-Tl +mp-1185269,Li3Gd,-4.7881492738,0.1625734362,0.1625734362,0.1625734362,GGA,P6_3/mmc,AB3_hP8_194_c_h:Gd-Li,8.0,AB3_hP8_194_c_h:Gd-Li +mp-12283,Li5Tl2,-2.27483614,-0.2362789076,0.0,-0.0041159214,GGA,R-3m,A5B2_hR21_166_a2c_c:Li-Tl,7.0,"Invalid WP multiplicities - A5B2_hR21_166_a3c_c:Li-Tl, expected Li7Tl2 to be Li5Tl2" +mp-1185253,LiTl3,-2.3242166775,-0.0750036008,0.0397912283,0.0397912283,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Tl,4.0,AB3_tI8_139_a_bd:Li-Tl +mp-973191,LiTl3,-2.3168595175,-0.0676464408,0.0471483883,0.0471483883,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Tl,4.0,AB3_cP4_221_a_c:Li-Tl +mp-19966,GdTl,-8.599805455,-0.3804227617,0.0,-0.093099399,GGA,Pm-3m,AB_cP2_221_a_b:Gd-Tl,2.0,AB_cP2_221_a_b:Gd-Tl +mp-1185526,LiGd3,-10.8898895275,0.1444328692,0.1444328692,0.1444328692,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Li,8.0,A3B_hP8_194_h_c:Gd-Li +mp-1185378,LiGd2Tl,-8.3295715225,-0.2236188992,0.0122621506,0.0122621506,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Gd-Li-Tl +mp-1185386,LiGdTl2,-5.47448462,-0.29690177,0.00810444,0.00810444,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Gd-Li-Tl +mp-1191883,LiTl,-2.2746154804,-0.1388324737,0.0907571846,0.0380085037,GGA,Cmce,AB_oC48_64_def_fg:Li-Tl,24.0,AB_oC48_64_def_fg:Li-Tl +mp-1237690,LiTl,-2.2863131521,-0.1505301454,0.0790595129,0.0263108321,GGA,Cmce,AB_oC48_64_def_fg:Li-Tl,24.0,AB_oC48_64_def_fg:Li-Tl +mp-1078753,LiTl,-2.1892212412,-0.0534382346,0.1761514238,0.1234027429,GGA,P6_3/mmc,AB_hP8_194_f_bc:Li-Tl,8.0,AB_hP8_194_f_bc:Li-Tl +mp-934,LiTl,-2.365372665,-0.2295896583,0.0,-0.0527486808,GGA,Pm-3m,AB_cP2_221_a_b:Li-Tl,2.0,AB_cP2_221_a_b:Li-Tl +mp-579628,Gd2Tl,-10.481562185,-0.3099329761,0.0,-0.0563178017,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Gd-Tl,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:Gd-Tl, expected Gd3Tl to be Gd2Tl" +mp-7396,Li3Tl,-2.251797185,-0.2294442483,0.0,-0.0227002042,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Tl,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Li-Tl, expected Li5Tl to be Li3Tl" +mp-30765,LiPt7,-5.7723300625,-0.2214730492,0.0,-0.0135049275,GGA,Fm-3m,AB7_cF32_225_a_bd:Li-Pt,8.0,AB7_cF32_225_a_bd:Li-Pt +mp-11807,LiPt,-4.597471185,-0.6074430917,0.0,-0.115766619,GGA,P-6m2,AB_hP2_187_a_d:Li-Pt,2.0,AB_hP2_187_a_d:Li-Pt +mp-976322,Li3Pt,-3.3631005625,-0.4136250825,0.0040369125,-0.0069976133,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Pt,4.0,A3B_tI8_139_ad_b:Li-Pt +mp-867227,Li3Pt,-3.367137475,-0.417661995,0.0,-0.0110345258,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pt,4.0,A3B_cF16_225_ac_b:Li-Pt +mp-861931,LiPt3,-5.44651695,-0.4159362433,0.0,-0.0658065133,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Pt,4.0,AB3_cP4_221_a_c:Li-Pt +mp-1185326,LiDy2Pt,-4.9581034375,-0.6596959708,0.0449081223,0.0449081223,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Pt +mp-1211180,Li4Pt,-2.634242716,0.1071222413,0.4412518373,0.4412518373,GGA,Fd-3m,A4B_cF40_227_e_a:Li-Pt,10.0,A4B_cF40_227_e_a:Li-Pt +mp-977188,Li3Dy,-2.3708795525,0.2125093075,0.2125093075,0.2125093075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Li,8.0,AB3_hP8_194_c_h:Dy-Li +mp-2170,Li2Pt,-3.83849631,-0.5421699589,0.0,-0.0612475983,GGA,P6/mmm,A2B_hP3_191_c_b:Li-Pt,3.0,A2B_hP3_191_c_b:Li-Pt +mp-30764,LiPt2,-5.1139180733,-0.4301882378,0.0495836217,0.0495836217,GGA,Fd-3m,AB2_cF24_227_a_d:Li-Pt,6.0,AB2_cF24_227_a_d:Li-Pt +mp-1185340,LiDy3,-3.74255922,0.1897616267,0.1897616267,0.1897616267,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Li,8.0,A3B_hP8_194_h_c:Dy-Li +mp-974060,LiDy3,-3.7375979325,0.1947229142,0.1947229142,0.1947229142,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Li,4.0,A3B_cP4_221_c_a:Dy-Li +mp-1187127,Sr3La,-2.35174751,0.1493743563,0.1493743563,0.1493743563,GGA,Fm-3m,AB3_cF16_225_a_bc:La-Sr,4.0,AB3_cF16_225_a_bc:La-Sr +mp-1097482,SrLaCd2,-0.6761912,1.4416288196,1.766079355,1.766079355,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-La-Sr,4.0,A2BC_oI8_71_e_a_b:Cd-La-Sr +mp-30496,SrCd,-1.630530945,-0.3243393383,0.0,-0.0359559671,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Sr,2.0,AB_cP2_221_a_b:Cd-Sr +mp-1187229,SrLa3,-3.985360355,0.1390183371,0.1390183371,0.1390183371,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Sr,4.0,A3B_tI8_139_ad_b:La-Sr +mp-1187249,SrLa3,-3.978717845,0.1456608471,0.1456608471,0.1456608471,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Sr,8.0,A3B_hP8_194_h_c:La-Sr +mp-30489,La2Cd17,-1.5147522534,-0.1694290887,0.0220976935,0.0220976935,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Cd-La,38.0,A17B2_hP38_194_fgjk_bc:Cd-La +mp-1187152,SrCd3,-1.3440157375,-0.2294750542,0.0499300384,0.0499300384,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Sr,4.0,A3B_cF16_225_ac_b:Cd-Sr +mp-569954,SrCd11,-1.1122554425,-0.1254820414,0.0,-0.0124832959,GGA,I4_1/amd,A11B_tI48_141_aci_b:Cd-Sr,24.0,"Invalid WP multiplicities - A11B_tI48_141_2a3c5i_b:Cd-Sr, expected SrCd48 to be SrCd11" +mp-581920,La13Cd58,-1.941943935,-0.2842580414,0.0,-0.0220975819,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Cd-La,142.0,"Invalid WP multiplicities - A58B13_hP142_194_2b2c4f5g6h11i11j42k19l_2a9h7k:Cd-La, expected La71Cd657 to be La13Cd58" +mp-677,SrCd2,-1.524479495,-0.3460551706,0.0,-0.0826751937,GGA,Imma,A2B_oI12_74_h_e:Cd-Sr,6.0,A2B_oI12_74_h_e:Cd-Sr +mp-1185113,La3Cd,-4.0492010338,-0.116473265,0.0458076012,0.0458076012,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-La,8.0,AB3_hP8_194_c_h:Cd-La +mp-1184995,La3Cd,-4.0542775675,-0.1215497987,0.0407310675,0.0407310675,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-La,4.0,AB3_cP4_221_a_c:Cd-La +mp-542484,Sr5Cd3,-1.64714659,-0.2451295217,0.0,-0.0018750179,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Cd-Sr,16.0,"Invalid WP multiplicities - A3B5_tI32_140_2a2h_2c3l:Cd-Sr, expected Sr7Cd3 to be Sr5Cd3" +mp-1212170,Sr4Cd11,-1.1891412807,-0.0618238691,0.230911239,0.230911239,GGA,I4_1/amd,A11B4_tI60_141_aci_h:Cd-Sr,30.0,A11B4_tI60_141_aci_h:Cd-Sr +mp-862559,LaCd3,-2.2532159025,-0.3270468063,0.0,-0.0067255446,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-La,4.0,A3B_cF16_225_ac_b:Cd-La +mp-1201591,LaCd11,-1.4227163233,-0.1654001179,0.0,-0.031268756,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-La,36.0,A11B_cP36_221_agij_c:Cd-La +mp-1219283,SrCd6,-1.2261167085,-0.1937121351,0.0,-0.015712682,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Sr,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Sr, expected SrCd8 to be SrCd6" +mp-1179325,Sr,-1.28977295,0.3997205033,0.3997205033,0.3997205033,GGA,P4/mmm,A_tP1_123_a:Sr,1.0,A_tP1_123_a:Sr +mp-567826,Sr,-1.54115725,0.1483362033,0.1483362033,0.1483362033,GGA,I4/mcm,A_tI8_140_h:Sr,4.0,A_tI8_140_h:Sr +mp-10617,Sr,-1.430844575,0.2586488783,0.2586488783,0.2586488783,GGA,I4_1/amd,A_tI4_141_a:Sr,2.0,A_tI4_141_a:Sr +mp-1187073,Sr,-1.6894934533,0.0,0.0,0.0,GGA,R-3m,A_hR9_166_ac:Sr,3.0,A_hR9_166_ac:Sr +mp-19858,Sr,-1.45310347,0.2363899833,0.2363899833,0.2363899833,GGA,P6/mmm,A_hP1_191_a:Sr,1.0,A_hP1_191_a:Sr +mp-1056418,Sr,-0.28976532,1.3997281333,1.3997281333,1.3997281333,GGA,P6/mmm,A_hP1_191_a:Sr,1.0,A_hP1_191_a:Sr +mp-139,Sr,-1.6838999,0.0055935533,0.0055935533,0.0055935533,GGA,P6_3/mmc,A_hP2_194_c:Sr,2.0,A_hP2_194_c:Sr +mp-867202,Sr,-1.68155755,0.0079359033,0.0079359033,0.0079359033,GGA,P6_3/mmc,A_hP4_194_ac:Sr,4.0,A_hP4_194_2a2c:Sr +mp-639774,Sr,-1.29243919,0.3970542633,0.3970542633,0.3970542633,GGA,Pm-3m,A_cP1_221_a:Sr,1.0,A_cP1_221_a:Sr +mp-76,Sr,-1.68309892,0.0063945333,0.0063945333,0.0063945333,GGA,Fm-3m,A_cF4_225_a:Sr,1.0,A_cF4_225_a:Sr +mp-95,Sr,-1.6764370400000002,0.0130564133,0.0130564133,0.0130564133,GGA,Im-3m,A_cI2_229_a:Sr,1.0,A_cI2_229_a:Sr +mp-12055,LaCd2,-2.6258376567,-0.365242115,0.0,-0.0390236667,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-La,3.0,A2B_hP3_191_c_b:Cd-La +mp-776,LaCd,-3.254010165,-0.3245617325,0.0,-0.0506301462,GGA,Pm-3m,AB_cP2_221_a_b:Cd-La,2.0,AB_cP2_221_a_b:Cd-La +mp-1215363,Zr4Pd,-8.150073842,-0.275936976,0.016882568,0.016882568,GGA,I4/mmm,AB4_tI10_139_a_2e:Pd-Zr,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_3e:Pd-Zr, expected Zr6Pd to be Zr4Pd" +mp-1025513,ZrGe,-7.3904624813,-0.8050982388,0.0,-0.0220730823,GGA,Pnma,AB_oP8_62_c_c:Ge-Zr,8.0,AB_oP8_62_c_c:Ge-Zr +mp-1184682,Ge3Pd,-4.6959499325,0.0662914113,0.29687425,0.29687425,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Pd,4.0,A3B_cP4_221_c_a:Ge-Pd +mp-30842,ZrPd3,-6.8411815938,-0.8193450787000001,0.0,-0.2515805838,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pd-Zr,16.0,A3B_hP16_194_gh_ac:Pd-Zr +mp-1017543,ZrPd3,-6.8163139375,-0.7944774225,0.0248676562,-0.2267129275,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Zr,4.0,A3B_cP4_221_c_a:Pd-Zr +mp-1018102,ZrPd2,-7.05950741,-0.7570193267,0.0065309867,0.0065309867,GGA,I4/mmm,A2B_tI6_139_e_a:Pd-Zr,3.0,A2B_tI6_139_e_a:Pd-Zr +mp-13495,ZrPd,-7.5157520025,-0.6519607825,0.0,-0.0192456285,GGA,Cmcm,AB_oC8_63_c_c:Pd-Zr,4.0,AB_oC8_63_c_c:Pd-Zr +mp-13496,ZrPd,-7.45122602,-0.5874347999999999,0.0645259825,0.045280354,GGA,Pm-3m,AB_cP2_221_a_b:Pd-Zr,2.0,AB_cP2_221_a_b:Pd-Zr +mp-1207436,Zr9Pd11,-7.3400059615,-0.6446056825,0.0408319592,0.0408319592,GGA,I4/m,A11B9_tI40_87_adi_b2h:Pd-Zr,20.0,A11B9_tI40_87_adi_b2h:Pd-Zr +mp-423,GePd2,-5.5330653511,-0.5388015261,0.0,-0.0631017275,GGA,P-62m,AB2_hP9_189_ad_fg:Ge-Pd,9.0,AB2_hP9_189_ad_fg:Ge-Pd +mp-1200749,Zr5Ge4,-7.6480810458,-0.8446794269000001,0.0,-0.0411006754,GGA,P4_12_12,A4B5_tP36_92_2b_a2b:Ge-Zr,36.0,A4B5_tP36_92_2b_a2b:Ge-Zr +mp-17706,Zr5Ge3,-7.8776277319,-0.8016793925,0.0,-0.0633390905,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Zr,16.0,A3B5_hP16_193_g_dg:Ge-Zr +mp-582201,Ge8Pd21,-5.5069784903,-0.4807115645,0.0,-0.013710916,GGA,I4_1/a,A8B21_tI116_88_2f_a5f:Ge-Pd,58.0,"Invalid WP multiplicities - A8B21_tI116_88_7f_2a33f:Ge-Pd, expected Ge14Pd67 to be Ge8Pd21" +mp-1203324,Zr3Ge,-8.1134623134,-0.5469298772,0.0,-0.0124769489,GGA,P4_2/n,AB3_tP32_86_g_3g:Ge-Zr,32.0,AB3_tP32_86_g_3g:Ge-Zr +mp-1188039,Zr3Ge,-7.928375555,-0.3618431188,0.1850867584,0.1726098096,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Zr,8.0,AB3_hP8_194_c_h:Ge-Zr +mp-12712,Zr3Pd4,-7.3179547071,-0.6947219743,0.0050628929,0.0050628929,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Zr,14.0,A4B3_hR42_148_abf_f:Pd-Zr +mp-1103057,GePd5,-5.4059677392,-0.3188949217,0.0,-0.0284650181,GGA,C2/m,AB5_mC24_12_i_g2ij:Ge-Pd,12.0,AB5_mC24_12_i_g2ij:Ge-Pd +mp-1103608,ZrGePd,-7.0199894258,-0.9031193275,0.0,-0.1474812739,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pd-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Pd-Zr +mp-266,Zr2Pd,-7.91312693,-0.4880325733,0.0,-0.0449739056,GGA,I4/mmm,AB2_tI6_139_a_e:Pd-Zr,3.0,AB2_tI6_139_a_e:Pd-Zr +mp-2430,ZrGe2,-6.5293144583,-0.598062345,0.0,-0.0613301858,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Zr,6.0,A2B_oC12_63_2c_c:Ge-Zr +mp-1424,GePd,-5.36262051,-0.4611656775,0.0,-0.0570645329,GGA,Pnma,AB_oP8_62_c_c:Ge-Pd,8.0,AB_oP8_62_c_c:Ge-Pd +mp-15843,Ge9Pd25,-5.4855421235,-0.453062831,0.0111163829,0.0111163829,GGA,P-3,A9B25_hP34_147_adg_bc2d3g:Ge-Pd,34.0,"Invalid WP multiplicities - A9B25_hP34_147_adg_bc2d4g:Ge-Pd, expected Ge9Pd31 to be Ge9Pd25" +mp-1215735,Zn10Fe3,-2.9568458031,-0.0331919777,0.0060045395,0.0060045395,GGA,Fmm2,A3B10_oF104_42_2cd_2ac2d3e:Fe-Zn,26.0,"Invalid WP multiplicities - A3B10_oF104_42_2cd_2a2c3d6e:Fe-Zn, expected Zn6Fe to be Zn10Fe3" +mp-1380,Zn3Ru,-3.414928175,-0.1515198325,0.0,-0.0256144915,GGA,I4/mmm,AB3_tI16_139_e_cde:Ru-Zn,8.0,AB3_tI16_139_e_cde:Ru-Zn +mp-1224803,FeRu,-8.74388538,0.128326495,0.128326495,0.128326495,GGA,P-6m2,AB_hP2_187_a_d:Fe-Ru,2.0,AB_hP2_187_a_d:Fe-Ru +mp-1215473,ZnFe,-4.87354163,-0.00865922,0.0225609608,0.0225609608,GGA,P4/mmm,AB_tP2_123_a_d:Fe-Zn,2.0,AB_tP2_123_a_d:Fe-Zn +mp-1722,Zn13Fe,-1.8056091457,-0.0308457071,0.0,-0.0205719998,GGA,C2/m,AB13_mC28_12_a_c2i2j:Fe-Zn,14.0,AB13_mC28_12_a_c2i2j:Fe-Zn +mp-1215649,Zn13Fe,-1.7036313736,0.071132065,0.1019777721,0.0814057724,GGA,C2/m,AB13_mC28_12_a_c2i2j:Fe-Zn,14.0,AB13_mC28_12_a_c2i2j:Fe-Zn +mp-1215526,ZnFe3,-6.6474762725000005,0.0199755375,0.0355856279,0.0355856279,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-Zn,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-Zn, expected ZnFe5 to be ZnFe3" +mp-1205290,Zn6Ru,-2.548586704,-0.1438918183,0.0,-0.0573090569,GGA,P4_132,AB6_cP252_213_ace_4d7e:Ru-Zn,252.0,AB6_cP252_213_ace_4d7e:Ru-Zn +mp-1215884,Zn9Fe4,-3.4373025073,0.0409880565,0.0842159992,0.0708608365,GGA,Cm,A4B9_mC52_8_4a2b_4a7b:Fe-Zn,26.0,"Invalid WP multiplicities - A4B9_mC52_8_4a2b_4a11b:Fe-Zn, expected Zn13Fe4 to be Zn9Fe4" +mp-1207450,Zn9Fe4,-3.5215185065,-0.0432279427,0.0,-0.0133551628,GGA,I-43m,A4B9_cI52_217_2c_eg:Fe-Zn,26.0,A4B9_cI52_217_2c_eg:Fe-Zn +mp-1238832,ZnCl3,-2.6927426838,-0.9914042863,0.1762705562,0.1762705562,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Zn,8.0,A3B_hP8_176_h_c:Cl-Zn +mp-571540,ZnCl2,-3.2064135614,-1.5541412514,0.0027585386,-0.6728929969,GGA,P2_1/c,A2B_mP36_14_6e_3e:Cl-Zn,36.0,"Invalid WP multiplicities - A2B_mP36_14_23e_8e:Cl-Zn, expected Zn8Cl23 to be ZnCl2" +mp-22889,ZnCl2,-3.2083061125,-1.5560338025,0.0008659875,-0.6747855481,GGA,Pna2_1,A2B_oP12_33_2a_a:Cl-Zn,12.0,A2B_oP12_33_2a_a:Cl-Zn +mp-22909,ZnCl2,-3.2091721,-1.55689979,0.0,-0.6756515356,GGA,I-42d,A2B_tI12_122_d_a:Cl-Zn,6.0,A2B_tI12_122_d_a:Cl-Zn +mp-567279,ZnCl2,-3.2055384483,-1.5532661383000002,0.0036336517,-0.6720178839000001,GGA,P4_2/nmc,A2B_tP6_137_d_a:Cl-Zn,6.0,A2B_tP6_137_d_a:Cl-Zn +mp-540578,Cs2ZnCl4,-3.5367795007,-2.0446802158,0.0,-0.0287550245,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Zn,28.0,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Zn +mp-1228983,CsZn8,-1.1083693511,0.1108918991,0.1108918991,0.1108918991,GGA,Imm2,AB8_oI18_44_a_2a2b2c:Cs-Zn,9.0,"Invalid WP multiplicities - AB8_oI18_44_a_2a2b3c:Cs-Zn, expected CsZn10 to be CsZn8" +mp-22865,CsCl,-3.579180745,-2.207211229,0.047738895,-2.207211229,GGA,Pm-3m,AB_cP2_221_a_b:Cl-Cs,2.0,AB_cP2_221_a_b:Cl-Cs +mp-573697,CsCl,-3.62691964,-2.254950124,0.0,-2.254950124,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Cs,2.0,AB_cF8_225_a_b:Cl-Cs +mp-570262,Cs3ZnCl5,-3.5578332056,-2.0924294249,0.0,-0.0010225628,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Cl-Cs-Zn,18.0,"Invalid WP multiplicities - A5B3C_tI36_140_2c2l_2a3h_b:Cl-Cs-Zn, expected Cs8ZnCl10 to be Cs3ZnCl5" +mp-1104669,Ca5Pd2,-3.4139047279,-0.5013671536000001,0.0,-0.0111810429,GGA,C2/c,A5B2_mC28_15_e2f_f:Ca-Pd,14.0,A5B2_mC28_15_e2f_f:Ca-Pd +mp-16260,Ca(GePd)2,-5.037036874,-0.7147530320000001,0.0,-0.0306989084,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Pd,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Pd +mp-213,CaPd,-4.267843725,-0.67510288,0.0,-0.0144652127,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Pd,2.0,AB_cP2_221_a_b:Ca-Pd +mp-16571,Ca7Ge6,-3.849599714,-0.6359561533,0.0151581287,0.0151581287,GGA,Pnma,A7B6_oP52_62_c3d_2c2d:Ca-Ge,52.0,A7B6_oP52_62_c3d_2c2d:Ca-Ge +mp-1063133,CaPd2,-4.5191133667,-0.3973255333,0.296810205,0.123806315,GGA,I4/mmm,AB2_tI6_139_a_d:Ca-Pd,3.0,AB2_tI6_139_a_d:Ca-Pd +mp-833,CaPd2,-4.8159235717,-0.6941357383,0.0,-0.17300389,GGA,Fd-3m,AB2_cF24_227_a_d:Ca-Pd,6.0,AB2_cF24_227_a_d:Ca-Pd +mp-1204241,Ca3Ge4,-4.0761084588,-0.5748354502,0.009776764,0.009776764,GGA,P6_3/m,A3B4_hP42_176_abci_dfhi:Ca-Ge,42.0,A3B4_hP42_176_abci_dfhi:Ca-Ge +mp-1071127,Ca2GePd3,-4.8204094783,-0.7914306375,0.0,-0.0432983447,GGA,R-3m,A2BC3_hR18_166_c_a_d:Ca-Ge-Pd,6.0,A2BC3_hR18_166_c_a_d:Ca-Ge-Pd +mp-304,Ca2Ge,-3.49201505,-0.6139391783,0.0,-0.0557301189,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Ge,12.0,A2B_oP12_62_2c_c:Ca-Ge +mp-1009755,Ca2Ge,-3.47616396,-0.5980880883,0.01585109,-0.0398790289,GGA,Fm-3m,A2B_cF12_225_c_a:Ca-Ge,3.0,A2B_cF12_225_c_a:Ca-Ge +mp-2360,CaGe,-3.975707745,-0.6613938775,0.0,-0.0468299703,GGA,Cmcm,AB_oC8_63_c_c:Ca-Ge,4.0,AB_oC8_63_c_c:Ca-Ge +mp-1105294,Ca5(GePd)6,-4.8386755918,-0.7889428041000001,0.0,-0.0577043326,GGA,Im-3m,A5B6C6_cI34_229_ac_e_d:Ca-Ge-Pd,17.0,A5B6C6_cI34_229_ac_e_d:Ca-Ge-Pd +mp-1078326,Ca2GePd2,-4.590945435,-0.7921471880000001,0.0,-0.0362148423,GGA,Fdd2,A2BC2_oF40_43_b_a_b:Ca-Ge-Pd,10.0,A2BC2_oF40_43_b_a_b:Ca-Ge-Pd +mp-1106061,Ca3Pd,-3.24237125,-0.4432008875,0.0,-0.0045046281,GGA,Pnma,A3B_oP16_62_cd_c:Ca-Pd,16.0,A3B_oP16_62_cd_c:Ca-Pd +mp-1214048,Ca4Pd,-2.679067101,-0.038610835,0.315949875,0.315949875,GGA,Fd-3m,A4B_cF40_227_e_a:Ca-Pd,10.0,A4B_cF40_227_e_a:Ca-Pd +mp-11826,CaPd5,-5.0179956383,-0.3671608167,0.0,-0.0200929475,GGA,P6/mmm,AB5_hP6_191_a_cg:Ca-Pd,6.0,AB5_hP6_191_a_cg:Ca-Pd +mp-1884,Ca5Ge3,-3.6151205625,-0.6279851919,0.0,-0.0021823387,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Ge,16.0,A5B3_tI32_140_cl_ah:Ca-Ge +mp-10008,Ca7Ge,-2.3394710575,-0.0066926806,0.2235345112,0.2235345112,GGA,Fm-3m,A7B_cF32_225_ad_b:Ca-Ge,8.0,"Invalid WP multiplicities - A7B_cF32_225_a2d_b:Ca-Ge, expected Ca13Ge to be Ca7Ge" +mp-1205360,CaGe3,-4.2393629562,-0.270692095,0.0909854025,0.0909854025,GGA,I4/mmm,AB3_tI32_139_de_im:Ca-Ge,16.0,AB3_tI32_139_de_im:Ca-Ge +mp-1104661,Ca3Pd2,-3.9158514767,-0.6405388247,0.0,-0.046512617,GGA,R-3,A3B2_hR45_148_acf_f:Ca-Pd,15.0,A3B2_hR45_148_acf_f:Ca-Pd +mp-643542,CaGe2,-4.13491367,-0.3843618067,0.0978748567,0.0627324324,GGA,C2/m,AB2_mC6_12_a_i:Ca-Ge,3.0,AB2_mC6_12_a_i:Ca-Ge +mp-1009654,CaGe2,-4.2116301567,-0.4610782933,0.02115837,-0.0139840543,GGA,P-3m1,AB2_hP3_164_a_d:Ca-Ge,3.0,AB2_hP3_164_a_d:Ca-Ge +mp-567456,CaGe2,-4.2327885267,-0.4822366633,0.0,-0.0351424243,GGA,R-3m,AB2_hR9_166_a_c:Ca-Ge,3.0,AB2_hR9_166_a_c:Ca-Ge +mp-1024,CaGe2,-4.2309642083,-0.480412345,0.0018243183,-0.0333181059,GGA,R-3m,AB2_hR18_166_c_2c:Ca-Ge,6.0,AB2_hR18_166_c_2c:Ca-Ge +mp-13286,CaGe2,-4.2296679733,-0.47911611,0.0031205533,-0.0320218709,GGA,P6_3mc,AB2_hP6_186_b_ab:Ca-Ge,6.0,AB2_hP6_186_b_ab:Ca-Ge +mp-976357,Lu3Sn,-4.761829145,-0.3687232912,0.0791368071,0.0791368071,GGA,I4/mmm,A3B_tI8_139_ad_b:Lu-Sn,4.0,A3B_tI8_139_ad_b:Lu-Sn +mp-1185473,Lu3Sn,-4.756027485,-0.3629216312,0.0849384671,0.0849384671,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Sn,8.0,A3B_hP8_194_h_c:Lu-Sn +mp-1106258,Lu5Sn3,-5.0009736681,-0.6717901475,0.0,-0.2634087821,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Sn,16.0,A5B3_hP16_193_dg_g:Lu-Sn +mp-1190019,LuZn3,-2.4156395681,-0.3405942306,0.0,-0.0064917793,GGA,Pnma,AB3_oP16_62_c_3c:Lu-Zn,16.0,AB3_oP16_62_c_3c:Lu-Zn +mp-1187976,ZnSn3,-3.1988624375,0.1232523562,0.1232523562,0.1232523562,GGA,I4/mmm,A3B_tI8_139_ad_b:Sn-Zn,4.0,A3B_tI8_139_ad_b:Sn-Zn +mp-971919,ZnSn3,-3.2093463775,0.1127684162,0.1127684162,0.1127684162,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-Zn,8.0,A3B_hP8_194_h_c:Sn-Zn +mp-980905,ZnSn3,-3.195506445,0.1266083487,0.1266083487,0.1266083487,GGA,Fm-3m,A3B_cF16_225_ac_b:Sn-Zn,4.0,A3B_cF16_225_ac_b:Sn-Zn +mp-11496,LuZn,-3.2515692,-0.361222135,0.0,-0.0753935325,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Zn,2.0,AB_cP2_221_a_b:Lu-Zn +mp-1079133,LuZnSn2,-3.8250404688,-0.3750810088,0.0146651224,0.0146651224,GGA,P4/nmm,AB2C_tP8_129_c_ac_b:Lu-Sn-Zn,8.0,AB2C_tP8_129_c_ac_b:Lu-Sn-Zn +mp-1024948,LuZn2,-2.7279173833,-0.3811048033,0.0,-0.0336346046,GGA,Imma,AB2_oI12_74_e_h:Lu-Zn,6.0,AB2_oI12_74_e_h:Lu-Zn +mp-30715,Lu2Zn17,-1.8115273737,-0.2084988258,0.0,-0.0137749154,GGA,R-3m,A2B17_hR57_166_c_cdfh:Lu-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Lu-Zn, expected Lu2Zn23 to be Lu2Zn17" +mp-1203035,Lu2Zn17,-1.8060286292,-0.2030000813,0.0054987445,-0.0082761709,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Lu-Zn,38.0,A2B17_hP38_194_bc_fgjk:Lu-Zn +mp-1104393,LuZn12,-1.6683206554,-0.1577149754,0.0,-0.0053504488,GGA,I4/mmm,AB12_tI26_139_a_fij:Lu-Zn,13.0,AB12_tI26_139_a_fij:Lu-Zn +mp-1210661,LuZnSn,-3.7496479725,-0.4862259775,0.0,-0.0328601295,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Lu-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Lu-Sn-Zn +mp-1072259,LuSn2,-4.6809482817,-0.5009168717,0.0,-0.142628793,GGA,Cmcm,AB2_oC12_63_c_2c:Lu-Sn,6.0,AB2_oC12_63_c_2c:Lu-Sn +mp-1188070,Zn3Sn,-1.8483924662,0.098808205,0.098808205,0.098808205,GGA,P-1,AB3_aP8_2_i_3i:Sn-Zn,8.0,"Invalid WP multiplicities - AB3_aP8_2_i_6i:Sn-Zn, expected Zn6Sn to be Zn3Sn" +mp-971950,Zn3Sn,-1.8229680775,0.1242325937,0.1242325937,0.1242325937,GGA,I4/mmm,AB3_tI8_139_a_bd:Sn-Zn,4.0,AB3_tI8_139_a_bd:Sn-Zn +mp-1199967,LuZn5,-2.0494367031,-0.2461586081,0.031659366,0.031659366,GGA,P6_3/mmc,AB5_hP36_194_h_afghk:Lu-Zn,36.0,AB5_hP36_194_h_afghk:Lu-Zn +mp-1192910,Lu6Zn23,-2.2270991983,-0.2926231241,0.0194770012,0.0194770012,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Lu-Zn,29.0,A6B23_cF116_225_e_ad2f:Lu-Zn +mp-1199665,Lu13Zn58,-2.1532341706,-0.2963681687,0.0,-0.0168321213,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Lu-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Lu-Zn +mp-30526,Mn4Al19,-4.8733121787,-0.185746877,0.0138604243,0.0138604243,GGA,Pm-3,A19B4_cP138_200_efh2j2k2l_jk:Al-Mn,138.0,A19B4_cP138_200_efh2j2k2l_jk:Al-Mn +mp-973149,Mn3Al,-7.875052355,-0.0671469284,0.0689959435,0.0689959435,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Mn,4.0,AB3_cF16_225_a_bc:Al-Mn +mp-1212295,Mn4Al9,-5.5767491621000005,-0.1645765745,0.1115870179,0.1115870179,GGA,Pnma,A9B4_oP156_62_5c11d_6c3d:Al-Mn,156.0,A9B4_oP156_62_5c11d_6c3d:Al-Mn +mp-1180309,Mn2Al3,-6.1578554215,-0.2457038067,0.0285984185,0.0285984185,GGA,P4_132,A3B2_cP20_213_d_c:Al-Mn,20.0,A3B2_cP20_213_d_c:Al-Mn +mp-173,MnAl6,-4.6930505214,-0.1736976254,0.0,-0.0129546991,GGA,Cmcm,A6B_oC28_63_efg_c:Al-Mn,14.0,"Invalid WP multiplicities - A6B_oC28_63_ef2g_c:Al-Mn, expected MnAl8 to be MnAl6" +mp-1194040,Mn5Al8,-6.0258430612,-0.1970212842,0.0775911688,0.0775911688,GGA,R3m,A8B5_hR78_160_a3bc_a3b:Al-Mn,26.0,A8B5_hR78_160_a3bc_a3b:Al-Mn +mp-1221583,MnIr,-9.054092205,-0.053867469,0.1032603963,0.1032603963,GGA,R-3m,AB_hR6_166_a_b:Ir-Mn,2.0,AB_hR6_166_a_b:Ir-Mn +mp-2856,Mn4Al11,-5.4669505533,-0.2769908668,0.0,-0.0346788447,GGA,P-1,A11B4_aP15_2_a5i_2i:Al-Mn,15.0,"Invalid WP multiplicities - A11B4_aP15_2_a6i_2i:Al-Mn, expected Mn4Al13 to be Mn4Al11" +mp-1221720,MnAlIr2,-8.19289005,-0.5467751795,0.0438842825,0.0112775981,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Ir-Mn,4.0,AB2C_tP4_123_a_h_b:Al-Ir-Mn +mp-864950,MnAlIr2,-8.2367743325,-0.5906594620000001,0.0,-0.0326066844,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ir-Mn,4.0,AB2C_cF16_225_a_c_b:Al-Ir-Mn +mp-1221621,MnAlIr,-7.45770279,-0.2090276893,0.4302907707,0.4302907707,GGA,F-43m,ABC_cF12_216_a_c_b:Al-Ir-Mn,3.0,ABC_cF12_216_a_c_b:Al-Ir-Mn +mp-865022,MnIr3,-9.0835136462,-0.1641841882,0.0,-0.1141603408,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Mn,8.0,A3B_hP8_194_h_c:Ir-Mn +mp-1104165,MnAl12,-4.2610607585,-0.0988357391,0.0,-0.0053062485,GGA,Im-3,A12B_cI26_204_g_a:Al-Mn,13.0,A12B_cI26_204_g_a:Al-Mn +mp-864735,Mn3Ir,-9.2311915562,-0.1500715422,0.0,-0.0953434795,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ir-Mn,8.0,AB3_hP8_194_c_h:Ir-Mn +mp-771,MnAl,-6.726081305,-0.272285744,0.0,-0.0675325717,GGA,P4/mmm,AB_tP2_123_a_d:Al-Mn,2.0,AB_tP2_123_a_d:Al-Mn +mp-12067,MnAl,-6.6783853650000005,-0.224589804,0.04769594,-0.0198366317,GGA,Pm-3m,AB_cP2_221_a_b:Al-Mn,2.0,AB_cP2_221_a_b:Al-Mn +mp-1093810,MnAl2Ir,-3.99705719,2.375843093,2.99147481,2.99147481,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ir-Mn,4.0,A2BC_oI8_71_e_a_b:Al-Ir-Mn +mp-16511,Mn3Al10,-5.2332240785,-0.2377006803,0.0093412585,0.0093412585,GGA,P6_3/mmc,A10B3_hP26_194_ahk_h:Al-Mn,26.0,A10B3_hP26_194_ahk_h:Al-Mn +mp-969,YbAl2,-3.3538087333,-0.34355542,0.0,-0.1904496,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Yb,,A2B_cF24_227_c_b:Al-Yb +mp-1187947,Yb3Al,-2.12977887,-0.0386787025,0.09015458,0.09015458,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Yb,,AB3_cF16_225_a_bc:Al-Yb +mp-570278,Yb3Ge8,-4.2050224714,-0.4229272277,0.0,-0.0080101836,GGA,P-1,A8B3_aP22_2_8i_3i:Ge-Yb,,"Invalid WP multiplicities - A8B3_aP22_2_16i_4i:Ge-Yb, expected YbGe4 to be Yb3Ge8" +mp-1207597,Yb4Al,-1.5956377540000002,0.385164036,0.488230662,0.488230662,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Yb,,AB4_cF40_227_a_e:Al-Yb +mp-571643,Yb11Ge10,-3.6159523757,-0.60804906,0.0354115367,0.0354115367,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Yb,,"Invalid WP multiplicities - A10B11_tI84_139_2d2e3h4i4m_2e4h13n:Ge-Yb, expected Yb31Ge17 to be Yb11Ge10" +mp-583724,Yb7Al5Ge8,-3.884930725,-0.5604627275,0.0,-0.0366157139,GGA,C2/m,A5B8C7_mC40_12_a2i_4i_d3i:Al-Ge-Yb,,"Invalid WP multiplicities - A5B8C7_mC40_12_a2i_6i_c5i:Al-Ge-Yb, expected Yb11Al5Ge12 to be Yb7Al5Ge8" +mp-972063,YbGe3,-4.2020597488,-0.3498867875,0.0377965046,0.0377965046,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Yb,,A3B_hP8_194_h_c:Ge-Yb +mp-767,Yb3Ge5,-4.03725645,-0.5705109356,0.0,-0.0622097211,GGA,P-62m,A5B3_hP8_189_cf_g:Ge-Yb,,A5B3_hP8_189_cf_g:Ge-Yb +mp-1259,YbAl3,-3.36632799,-0.1722440475,0.0854225175,0.0854225175,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Yb,,A3B_cP4_221_c_a:Al-Yb +mp-1215864,Yb2Ge3,-3.704426604,-0.314766579,0.2679998997,0.2679998997,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Yb,,A3B2_hP5_187_abc_i:Ge-Yb +mp-1694,Yb2Ge,-3.2226813367,-0.6552665317,0.0,-0.1376777556,GGA,Pnma,AB2_oP12_62_c_2c:Ge-Yb,,AB2_oP12_62_c_2c:Ge-Yb +mp-1183203,AlGe3,-4.15267901,0.2509858388,0.2509858388,0.2509858388,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Ge,4.0,AB3_tI8_139_a_bd:Al-Ge +mp-1183195,Al3Ge,-3.8674521525,0.0974866838,0.0974866838,0.0974866838,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Ge,4.0,A3B_tI8_139_ad_b:Al-Ge +mp-864676,Yb2AlGe3,-4.0061231696,-0.5571438437,0.0,-0.0159594429,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Yb,,AB3C2_oP24_62_c_3c_2c:Al-Ge-Yb +mp-11595,Yb5Ge3,-3.2781779937,-0.5822873731,0.0743879058,0.0743879058,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Yb,,A3B5_hP16_193_g_dg:Ge-Yb +mp-21300,Yb5Ge4,-3.5690401711,-0.6590231911000001,0.0,-0.0360445056,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Yb,,A4B5_oP36_62_2cd_c2d:Ge-Yb +mp-1190320,Al6Ge5,-4.0968694432,0.0475482164,0.0475482164,0.0475482164,GGA,R-3c,A6B5_hR66_167_f_ce:Al-Ge,22.0,A6B5_hR66_167_f_ce:Al-Ge +mp-4041,Yb(AlGe)2,-4.087607194,-0.432244064,0.0,-0.0979577578,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Yb,,A2B2C_hP5_164_d_d_a:Al-Ge-Yb +mp-1105669,NdZn3,-2.4828021131,-0.3459575475,0.0,-0.0026670391,GGA,Pnma,AB3_oP16_62_c_3c:Nd-Zn,16.0,AB3_oP16_62_c_3c:Nd-Zn +mp-11467,NdHg,-3.011433405,-0.4755195062,0.0,-0.1532424194,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Nd,2.0,AB_cP2_221_a_b:Hg-Nd +mp-1186257,Nd2ZnHg,-3.150835705,-0.375905995,0.0192210375,0.0192210375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Nd-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Nd-Zn +mp-1186314,NdHg3,-1.8183575188,-0.3985603869,0.0,-0.0606183983,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Nd,8.0,A3B_hP8_194_h_c:Hg-Nd +mp-11468,NdHg2,-2.2215388367,-0.4297027825,0.0,-0.0054893558,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Nd,3.0,A2B_hP3_191_c_b:Hg-Nd +mp-976417,Nd3Hg,-3.8090079525,-0.1569772869,0.0807824663,0.0807824663,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Nd,4.0,AB3_tI8_139_a_bd:Hg-Nd +mp-1201594,Nd11Hg45,-1.45958216,-0.2789529067,0.0342016829,0.0342016829,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Nd,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Hg-Nd +mp-30801,NdZn5,-2.1499384333,-0.3054608529,0.0027502347,0.0027502347,GGA,P6/mmm,AB5_hP6_191_a_cg:Nd-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Nd-Zn, expected NdZn8 to be NdZn5" +mp-1053,NdZn,-3.32868008,-0.3147345587,0.0,-0.0387920881,GGA,Pm-3m,AB_cP2_221_a_b:Nd-Zn,2.0,AB_cP2_221_a_b:Nd-Zn +mp-1103818,Nd3Zn11,-2.3442780293,-0.3327336002,0.0,-0.0037481742,GGA,Immm,A3B11_oI28_71_ag_bf2n:Nd-Zn,14.0,A3B11_oI28_71_ag_bf2n:Nd-Zn +mp-1213180,Nd4Zn11,-2.0690845087,0.126233454,0.4765841508,0.4765841508,GGA,I4_1/amd,A4B11_tI60_141_h_aci:Nd-Zn,30.0,A4B11_tI60_141_h_aci:Nd-Zn +mp-30800,NdZn2,-2.797134845,-0.3679232942,0.0,-0.0323734096,GGA,Imma,AB2_oI12_74_e_h:Nd-Zn,6.0,AB2_oI12_74_e_h:Nd-Zn +mp-30711,Nd2Zn17,-1.8966525821,-0.2676033066,0.0,-0.0099476539,GGA,R-3m,A2B17_hR57_166_c_cdfh:Nd-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Nd-Zn, expected Nd2Zn23 to be Nd2Zn17" +mp-1199021,Nd2Zn17,-1.8915974603,-0.2625481847,0.0050551218,-0.0048925321,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Nd-Zn,38.0,A2B17_hP38_194_bc_fgjk:Nd-Zn +mp-1186287,Nd3Zn,-3.9228526075,-0.0318061306,0.1255611487,0.1255611487,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Zn,4.0,A3B_tI8_139_ad_b:Nd-Zn +mp-1186290,Nd3Zn,-3.9327400362,-0.0416935594,0.11567372,0.11567372,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Zn,8.0,A3B_hP8_194_h_c:Nd-Zn +mp-30802,NdZn11,-1.7702969433,-0.2181863481,0.0,-0.0063337304,GGA,I4_1/amd,AB11_tI48_141_b_aci:Nd-Zn,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_ac2i:Nd-Zn, expected NdZn19 to be NdZn11" +mp-1199143,Nd3Zn22,-1.964931094,-0.2841790253,0.0,-0.0074899076,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:Nd-Zn,50.0,A3B22_tI100_141_ae_c3hi:Nd-Zn +mp-608072,SrIn,-2.6458714944,-0.4252829027,0.0,-0.0389046242,GGA,Cc,AB_mC32_9_4a_4a:In-Sr,16.0,"Invalid WP multiplicities - AB_oF64_43_4b_7b:In-Sr, expected Sr7In4 to be SrIn" +mp-655461,SrIn,-2.6417648475,-0.4211762558,0.0041066469,-0.0347979773,GGA,Fdd2,AB_oF64_43_2b_2b:In-Sr,16.0,"Invalid WP multiplicities - AB_oF64_43_4b_7b:In-Sr, expected Sr7In4 to be SrIn" +mp-569426,SrZn2,-1.6440830017,-0.2410894439,0.0,-0.0253810631,GGA,Imma,AB2_oI12_74_e_h:Sr-Zn,6.0,AB2_oI12_74_e_h:Sr-Zn +mp-13365,SrZn2,-1.5924610717,-0.1894675139,0.05162193,0.0262408669,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Sr-Zn,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Sr-Zn, expected Sr2Zn7 to be SrZn2" +mp-12724,SrZn,-1.6834357262,-0.2088171946,0.0,-0.0280001117,GGA,Pnma,AB_oP8_62_c_c:Sr-Zn,8.0,AB_oP8_62_c_c:Sr-Zn +mp-1217777,SrZnIn3,-2.536667262,-0.2958096113,0.0,-0.0093470412,GGA,I4mm,A3BC_tI10_107_ab_a_a:In-Sr-Zn,5.0,A3BC_tI10_107_ab_a_a:In-Sr-Zn +mp-567822,Sr3In11,-2.8152232714,-0.2911517436,0.0,-0.0037869525,GGA,Immm,A11B3_oI28_71_bf2n_ag:In-Sr,14.0,"Invalid WP multiplicities - A11B3_oI28_71_bf7n_ag:In-Sr, expected Sr3In31 to be Sr3In11" +mp-570362,Sr5In3,-2.4270326575,-0.3392178504,0.0067260355,0.0067260355,GGA,I4/mcm,A3B5_tI32_140_ah_cl:In-Sr,16.0,A3B5_tI32_140_2a2h_2c2l:In-Sr +mp-705522,Sr28In11,-2.2760337895,-0.2869482068,0.0,-0.0318099946,GGA,Imm2,A11B28_oI78_44_a5c_ab13c:In-Sr,39.0,"Invalid WP multiplicities - A11B28_oI78_44_a8c_ab24c:In-Sr, expected Sr50In17 to be Sr28In11" +mp-1218673,Sr4Zn51,-1.4545139984,-0.1635158543,0.0064552261,0.0064552261,GGA,R-3,A4B51_hR165_148_2c_ac8f:Sr-Zn,55.0,"Invalid WP multiplicities - A4B51_hR165_148_4c_ac48f:Sr-Zn, expected Sr8Zn291 to be Sr4Zn51" +mp-18026,SrZn11,-1.4719487292,-0.1763926322,0.0,-0.0005310144,GGA,I4_1/amd,AB11_tI48_141_b_aci:Sr-Zn,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_ac2i:Sr-Zn, expected SrZn19 to be SrZn11" +mp-1187138,Sr3Zn,-1.5004143425,0.08164165,0.1860502473,0.1860502473,GGA,Pm-3m,A3B_cP4_221_c_a:Sr-Zn,4.0,A3B_cP4_221_c_a:Sr-Zn +mp-567207,SrIn4,-2.80440234,-0.2651566653,0.006584962,0.006584962,GGA,C2/m,A4B_mC20_12_4i_i:In-Sr,10.0,"Invalid WP multiplicities - A4B_mC20_12_8i_i:In-Sr, expected SrIn8 to be SrIn4" +mp-22466,SrIn4,-2.801371358,-0.2621256833,0.009615944,0.009615944,GGA,I4/mmm,A4B_tI10_139_de_a:In-Sr,5.0,A4B_tI10_139_de_a:In-Sr +mp-642322,Sr11In7,-2.4485233158,-0.345955866,0.0088034662,0.0088034662,GGA,Fm-3m,A7B11_cF144_225_ef_abfh:In-Sr,36.0,"Invalid WP multiplicities - A7B11_cF144_225_5e5f_ab7f6h:In-Sr, expected Sr13In7 to be Sr11In7" +mp-1435,SrZn5,-1.5539681508,-0.2225995669,0.0,-0.0246413308,GGA,Pnma,AB5_oP24_62_c_3cd:Sr-Zn,24.0,AB5_oP24_62_c_3cd:Sr-Zn +mp-638,SrZn5,-1.5466998017,-0.2153312178,0.0072683492,-0.0173729817,GGA,P6/mmm,AB5_hP6_191_a_cg:Sr-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_2cg:Sr-Zn, expected SrZn7 to be SrZn5" +mp-1097246,Sr2ZnIn,-0.668834005,1.1787695567,1.4958196053,1.4958196053,GGA,Immm,AB2C_oI8_71_a_e_b:In-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:In-Sr-Zn +mp-1187231,Sr2ZnIn,-2.1592655375,-0.3116619758,0.0053880728,0.0053880728,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Sr-Zn,4.0,AB2C_cF16_225_a_c_b:In-Sr-Zn +mp-672707,SrZn13,-1.4596247954,-0.169184768,0.0,-0.0085888396,GGA,Fm-3c,AB13_cF112_226_a_bi:Sr-Zn,28.0,AB13_cF112_226_a_bi:Sr-Zn +mp-981211,ZnIn3,-2.2793684462,0.0993302537,0.0993302537,0.0993302537,GGA,Cmcm,A3B_oC16_63_cg_c:In-Zn,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c3g_c:In-Zn, expected ZnIn8 to be ZnIn3" +mp-971832,ZnIn3,-2.2871580675,0.0915406325,0.0915406325,0.0915406325,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Zn,4.0,A3B_tI8_139_ad_b:In-Zn +mp-1187954,ZnIn3,-2.2716575825,0.1070411175,0.1070411175,0.1070411175,GGA,Fm-3m,A3B_cF16_225_ac_b:In-Zn,4.0,A3B_cF16_225_ac_b:In-Zn +mp-1206486,SrIn5,-2.7155283533,-0.1408763361,0.08557502,0.08557502,GGA,P6/mmm,A5B_hP6_191_cg_a:In-Sr,6.0,A5B_hP6_191_cg_a:In-Sr +mp-31349,Sr3In,-2.0780254275,-0.122984405,0.1313560511,0.1313560511,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Sr,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:In-Sr, expected Sr5In to be Sr3In" +mp-1211218,Sr4Zn11,-1.341179522,0.0331640462,0.2668575393,0.2668575393,GGA,I4_1/amd,A4B11_tI60_141_h_aci:Sr-Zn,30.0,A4B11_tI60_141_h_aci:Sr-Zn +mp-972175,Zn3In,-1.521548715,0.111179925,0.111179925,0.111179925,GGA,Cmcm,AB3_oC16_63_c_cg:In-Zn,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_2c2g:In-Zn, expected Zn6In to be Zn3In" +mp-1188074,Zn3In,-1.5662776925,0.0664509475,0.0664509475,0.0664509475,GGA,Cmcm,AB3_oC16_63_c_cg:In-Zn,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_2c2g:In-Zn, expected Zn6In to be Zn3In" +mp-971934,Zn3In,-1.5268408425,0.1058877975,0.1058877975,0.1058877975,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Zn,4.0,AB3_tI8_139_a_bd:In-Zn +mp-1080608,SrIn3,-2.7922240775,-0.3060879167,0.031821873,0.031821873,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Sr,8.0,A3B_hP8_194_h_c:In-Sr +mp-1187154,SrIn3,-2.7714684075,-0.2853322467,0.052577543,0.052577543,GGA,Pm-3m,A3B_cP4_221_c_a:In-Sr,4.0,A3B_cP4_221_c_a:In-Sr +mp-20074,SrIn2,-2.8446322017,-0.4470118972,0.0,-0.0999721707,GGA,P6_3/mmc,A2B_hP6_194_f_b:In-Sr,6.0,A2B_hP6_194_f_b:In-Sr +mp-865985,CdPd3,-4.38421823,-0.2685844325,0.0,-0.0635417275,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Pd,4.0,AB3_tI8_139_a_bd:Cd-Pd +mp-1226738,CdPd3,-4.25524726,-0.1396134625,0.12897097,0.0654292425,GGA,R-3m,AB3_hR12_166_a_bc:Cd-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cd-Pd, expected CdPd5 to be CdPd3" +mp-1183675,CdPd3,-4.3627934125,-0.247159615,0.0214248175,-0.04211691,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Pd,8.0,AB3_hP8_194_c_h:Cd-Pd +mp-1183655,CdPd3,-4.365902685,-0.2502688875,0.018315545,-0.0452261825,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Pd,4.0,AB3_cP4_221_a_c:Cd-Pd +mp-607960,Cd27Pd8,-1.9114265393,-0.015510025,0.2287873922,0.2287873922,GGA,Cmc2_1,A27B8_oC140_36_7a10b_4a2b:Cd-Pd,70.0,"Invalid WP multiplicities - A27B8_oC140_36_13a38b_8a8b:Cd-Pd, expected Cd89Pd24 to be Cd27Pd8" +mp-1183635,Cd3Pd,-2.205753905,-0.2186161325,0.0401844926,0.0401844926,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Pd,4.0,A3B_tI8_139_ad_b:Cd-Pd +mp-1183648,Cd3Pd,-2.2054183613,-0.2182805887,0.0405200363,0.0405200363,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Pd,8.0,A3B_hP8_194_h_c:Cd-Pd +mp-1183621,Cd3Pd,-2.201647185,-0.2145094125,0.0442912126,0.0442912126,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Pd,4.0,A3B_cP4_221_c_a:Cd-Pd +mp-1210703,Mg3Pd5,-4.4860287963,-0.6484976463000001,0.0,-0.0079535869,GGA,Pbam,A3B5_oP16_55_ah_cgh:Mg-Pd,16.0,A3B5_oP16_55_ah_cgh:Mg-Pd +mp-1696,CdPd,-3.461471195,-0.41008541,0.0,-0.1515115134,GGA,P4/mmm,AB_tP2_123_a_d:Cd-Pd,2.0,AB_tP2_123_a_d:Cd-Pd +mp-1185771,Mg2Pd,-3.3185663967,-0.52508576,0.0069913931,0.0069913931,GGA,I4/mmm,A2B_tI6_139_e_a:Mg-Pd,3.0,A2B_tI6_139_e_a:Mg-Pd +mp-18316,Mg2Pd,-3.3212282675,-0.5277476308,0.0043295222,0.0043295222,GGA,Fd-3m,A2B_cF96_227_cf_e:Mg-Pd,24.0,"Invalid WP multiplicities - A2B_cF96_227_2c2f_e:Mg-Pd, expected Mg4Pd to be Mg2Pd" +mp-1212554,Mg29Pd4,-2.1685706778,-0.1343995054,0.0820793951,0.0820793951,GGA,F-43m,A29B4_cF396_216_a2ef2g5h_3e:Mg-Pd,99.0,A29B4_cF396_216_a2ef2g5h_3e:Mg-Pd +mp-1214676,Cd53Pd16,-2.1578563108,-0.2478379595,0.0,-0.0225792439,GGA,Cmce,A53B16_oC276_64_a6f10g_4f2g:Cd-Pd,138.0,A53B16_oC276_64_a6f10g_4f2g:Cd-Pd +mp-1097169,MgCdPd2,-1.987488915,1.2332444425,1.8092111825,1.8092111825,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Mg-Pd +mp-1185850,MgCdPd2,-3.795634535,-0.5749011775,0.0010655625,0.0010655625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Pd +mp-12741,MgPd2,-4.5934572792,-0.6067760558,0.0,-0.00905587,GGA,Pnma,AB2_oP12_62_c_2c:Mg-Pd,12.0,AB2_oP12_62_c_2c:Mg-Pd +mp-506,MgPd,-4.131929,-0.74184807,0.0,-0.1451004304,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Pd,2.0,AB_cP2_221_a_b:Mg-Pd +mp-647220,Cd85Pd27,-2.1822073622,-0.2330784473,0.0203191497,0.0203191497,GGA,Fmm2,A85B27_oF448_42_a10c2d15e_a6cd3e:Cd-Pd,112.0,"Invalid WP multiplicities - A85B27_oF448_42_a20c4d57e_a12c2d11e:Cd-Pd, expected Cd277Pd73 to be Cd85Pd27" +mp-1185816,Mg5Pd,-2.43843343,-0.2415530867,0.0472417314,0.0472417314,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Pd,6.0,A5B_hP6_189_cg_a:Mg-Pd +mp-12742,MgPd3,-4.781146635,-0.496165265,0.0,-0.0256406696,GGA,I4/mmm,AB3_tI16_139_e_cde:Mg-Pd,8.0,AB3_tI16_139_e_cde:Mg-Pd +mp-1185927,MgPd3,-4.7679051475000005,-0.4829237775,0.0132414875,-0.0123991821,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Pd,4.0,AB3_tI8_139_a_bd:Mg-Pd +mp-1221964,MgPd3,-4.5891370275,-0.3041556575,0.1920096075,0.1663689379,GGA,R-3m,AB3_hR12_166_a_bc:Mg-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mg-Pd, expected MgPd5 to be MgPd3" +mp-1185939,MgPd3,-4.75565018,-0.47066881,0.025496455,-0.0001442146,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Pd,8.0,AB3_hP8_194_c_h:Mg-Pd +mp-7753,MgPd3,-4.771199715,-0.486218345,0.00994692,-0.0156937496,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Pd,4.0,AB3_cP4_221_a_c:Mg-Pd +mp-1185580,Mg149Pd,-1.6583868497,-0.0342427879,0.0,-0.0230061479,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Pd,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Pd, expected Mg315Pd to be Mg149Pd" +mp-18712,Mg3Pd,-2.9165544904000003,-0.4213740004,0.0,-0.0052765935,GGA,P6_3cm,A3B_hP24_185_ab2c_c:Mg-Pd,24.0,A3B_hP24_185_ab2c_c:Mg-Pd +mp-1079229,Mg3Pd,-2.9064257575,-0.4112452675,0.0101287329,0.0048521394,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Mg-Pd,8.0,A3B_hP8_194_bf_c:Mg-Pd +mp-976976,MgPd5,-4.9163348933,-0.3330533767,0.0012197583,-0.0022765333,GGA,R32,AB5_hR18_155_a_ce:Mg-Pd,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_c2e:Mg-Pd, expected MgPd8 to be MgPd5" +mp-977059,MgPd5,-4.9175546517,-0.334273135,0.0,-0.0034962917,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Pd,6.0,"Invalid WP multiplicities - AB5_hP6_189_a_2c2g:Mg-Pd, expected MgPd10 to be MgPd5" +mp-1227077,Cd43Pd8,-1.7520583504,-0.1614051316,0.0062499587,0.0062499587,GGA,R3m,A43B8_hR153_160_a10b2c_2a2b:Cd-Pd,51.0,"Invalid WP multiplicities - A43B8_hR153_160_a14b6c_2a2b:Cd-Pd, expected Cd79Pd8 to be Cd43Pd8" +mp-605027,Mg5Pd2,-2.9483922807000003,-0.3253688707,0.1467737346,0.1417871396,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Mg-Pd,28.0,"Invalid WP multiplicities - A5B2_hP28_194_2a4h3k_ch:Mg-Pd, expected Mg8Pd to be Mg5Pd2" +mp-2406,Mg5Pd2,-3.0951660154,-0.4721426054,0.0,-0.004986595,GGA,P6_3/mmc,A5B2_hP28_194_ahk_ch:Mg-Pd,28.0,A5B2_hP28_194_ahk_ch:Mg-Pd +mp-1097401,Mg2CdPd,-1.2659597425,1.059873175,1.480262575,1.480262575,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Pd +mp-1185761,Mg2CdPd,-2.7349584625,-0.409125545,0.011263855,0.011263855,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Cd-Mg-Pd +mp-696,SiPt,-6.3767848538,-0.6285591787,0.0,-0.0001192278,GGA,Pnma,AB_oP8_62_c_c:Pt-Si,8.0,AB_oP8_62_c_c:Pt-Si +mp-1025220,SiAgPt5,-5.7851328143,-0.2689127238,0.0582831724,0.0582831724,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:Ag-Pt-Si,7.0,AB5C_tP7_123_c_ai_b:Ag-Pt-Si +mp-567618,Si5Pt12,-6.4600786862,-0.5788910397,0.0515716956,0.0515716956,GGA,P4/n,A12B5_tP68_85_6g_ac2g:Pt-Si,68.0,"Invalid WP multiplicities - A12B5_tP68_85_43g_2a2c10g:Pt-Si, expected Si11Pt43 to be Si5Pt12" +mp-16317,Si5Pt12,-6.4371917053,-0.5560040588,0.0744586765,0.0744586765,GGA,I4/m,A12B5_tI34_87_hi_ah:Pt-Si,17.0,A12B5_tI34_87_hi_ah:Pt-Si +mp-29661,Si5Pt6,-6.4564864027,-0.6789054873,0.0,-0.0269012391,GGA,P2_1/m,A6B5_mP22_11_6e_5e:Pt-Si,22.0,A6B5_mP22_11_6e_5e:Pt-Si +mp-1299,SiPt2,-6.57038599,-0.7145244333,0.0,-0.1111854176,GGA,I4/mmm,A2B_tI6_139_d_a:Pt-Si,3.0,A2B_tI6_139_d_a:Pt-Si +mp-1024071,SiPt2,-6.4669612978,-0.6110997411,0.1034246922,-0.0077607253,GGA,P-62m,A2B_hP9_189_fg_ad:Pt-Si,9.0,A2B_hP9_189_fg_ad:Pt-Si +mp-1248087,Si3Ag,-4.3308832225,0.4462443008,0.4462443008,0.4462443008,GGA,C2/m,AB3_mC16_12_i_ij:Ag-Si,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_2i2j:Ag-Si, expected Si6Ag to be Si3Ag" +mp-978524,Si3Ag,-4.2311347625,0.5459927608,0.5459927608,0.5459927608,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Si,4.0,AB3_tI8_139_a_bd:Ag-Si +mp-978806,Si3Ag,-4.2071756638,0.5699518596,0.5699518596,0.5699518596,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Si,8.0,AB3_hP8_194_c_h:Ag-Si +mp-13363,SiPt3,-6.3985264587,-0.4888469612,0.0470463638,0.0470463638,GGA,C2/m,A3B_mC16_12_ghi_i:Pt-Si,8.0,A3B_mC16_12_ghi_i:Pt-Si +mp-21163,SiPt3,-6.3923376337,-0.4826581362,0.0532351888,0.0532351888,GGA,Pnma,A3B_oP16_62_cd_c:Pt-Si,16.0,A3B_oP16_62_cd_c:Pt-Si +mp-1079269,SiPt3,-6.3449795787,-0.4353000812,0.1005932438,0.1005932438,GGA,P4/mbm,A3B_tP8_127_bg_c:Pt-Si,8.0,A3B_tP8_127_bg_c:Pt-Si +mp-10744,Si3Pt2,-6.201059917,-0.517415771,0.0,-0.014568428,GGA,P6_3/mmc,A2B3_hP10_194_f_bf:Pt-Si,10.0,A2B3_hP10_194_f_bf:Pt-Si +mp-972763,Si3Pt,-5.6036862075,-0.016914355,0.3064705019,0.3064705019,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pt-Si,8.0,AB3_hP8_194_c_h:Pt-Si +mp-1219243,SiAg3,-3.29589217,0.18485434,0.18485434,0.18485434,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Si,4.0,A3B_hP4_187_ah_b:Ag-Si +mp-1187005,SiAg3,-3.2877544437,0.1929920662,0.1929920662,0.1929920662,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Si,8.0,A3B_hP8_194_h_c:Ag-Si +mp-1095654,SiAg2,-3.1602104125,0.5365995997,0.5365995997,0.5365995997,GGA,Cmcm,A2B_oC24_63_acg_f:Ag-Si,12.0,A2B_oC24_63_acg_f:Ag-Si +mp-2080,SrBe13,-3.6437355389,-0.050745489,0.0,-0.050745489,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Sr,28.0,A13B_cF112_226_bi_a:Be-Sr +mp-13053,SrSi,-3.9814053938,-0.4239996521,0.0071709438,-0.0787783716,GGA,Pnma,AB_oP8_62_c_c:Si-Sr,8.0,AB_oP8_62_c_c:Si-Sr +mp-2661,SrSi,-3.9885763375,-0.4311705958,0.0,-0.0859493154,GGA,Cmcm,AB_oC8_63_c_c:Si-Sr,4.0,AB_oC8_63_c_c:Si-Sr +mp-570777,SrSi,-3.938804368,-0.3813986263,0.0497719695,-0.0361773459,GGA,Immm,AB_oI40_71_f2m_abfim:Si-Sr,20.0,"Invalid WP multiplicities - AB_oI40_71_2f6m_ab2f2i2m:Si-Sr, expected Sr9Si14 to be SrSi" +mp-6907,SrSi,-3.615828455,-0.0584227133,0.3727478825,0.2867985671,GGA,Pm-3m,AB_cP2_221_a_b:Si-Sr,2.0,AB_cP2_221_a_b:Si-Sr +mp-1727,SrSi2,-4.49838734,-0.3183441689,0.0,-0.030897105,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Sr,6.0,A2B_tI12_141_e_a:Si-Sr +mp-496,SrSi2,-4.4952876258,-0.3152444547,0.0030997142,-0.0277973908,GGA,P4_332,A2B_cP12_212_c_a:Si-Sr,12.0,A2B_cP12_212_c_a:Si-Sr +mp-14172,SrSi2,-4.4952968675000005,-0.3152536964,0.0030904725,-0.0278066325,GGA,P4_132,A2B_cP12_213_c_a:Si-Sr,12.0,A2B_cP12_213_c_a:Si-Sr +mp-1218354,SrBeSi,-3.8485042233,-0.2304294406,0.0570176233,0.0570176233,GGA,P-6m2,ABC_hP3_187_a_c_f:Be-Si-Sr,3.0,ABC_hP3_187_a_c_f:Be-Si-Sr +mp-1183407,Be3Si,-3.8737877525,0.2871014037,0.2871014037,0.2871014037,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Si,4.0,A3B_tI8_139_ad_b:Be-Si +mp-13052,Sr5Si3,-3.3512069369,-0.2607792673,0.1045998469,0.101851445,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Si-Sr,16.0,A3B5_tI32_140_ah_bk:Si-Sr +mp-746,Sr5Si3,-3.4558067837,-0.3653791142,0.0,-0.0027484019,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Si-Sr,16.0,A3B5_tI32_140_ah_cl:Si-Sr +mp-1009829,Be2Si,-4.04255649,0.2588247633,0.2588247633,0.2588247633,GGA,Fm-3m,A2B_cF12_225_c_a:Be-Si,3.0,A2B_cF12_225_c_a:Be-Si +mp-1009,SrSi6,-4.9144665936,-0.0228377888,0.1135954264,0.1135954264,GGA,Cmcm,A6B_oC28_63_3f_c:Si-Sr,14.0,"Invalid WP multiplicities - A6B_oC28_63_4f_c:Si-Sr, expected SrSi8 to be SrSi6" +mp-1106,Sr2Si,-3.2745523967,-0.3397840844,0.0,-0.0150026496,GGA,Pnma,AB2_oP12_62_c_2c:Si-Sr,12.0,AB2_oP12_62_c_2c:Si-Sr +mp-13051,Sr2Si,-3.19667695,-0.2619086378,0.0778754467,0.062872797,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Si-Sr,6.0,AB2_hP6_194_c_ad:Si-Sr +mp-1218710,Sr2Si3,-4.202734164,-0.2717459647,0.091728775,0.091728775,GGA,Imm2,A3B2_oI10_44_2ab_ab:Si-Sr,5.0,A3B2_oI10_44_2ab_ab:Si-Sr +mp-1304,Zr5Si4,-8.0331036131,-0.8731285831000001,0.0013379625,0.0013379625,GGA,P4_12_12,A4B5_tP36_92_2b_a2b:Si-Zr,36.0,A4B5_tP36_92_2b_a2b:Si-Zr +mp-1189696,Si5Ir4,-7.5826053844,-0.6403468433,0.0282976086,0.0282976086,GGA,P2_1/m,A4B5_mP18_11_4e_5e:Ir-Si,18.0,A4B5_mP18_11_4e_5e:Ir-Si +mp-1200912,Zr3Si,-8.3163277944,-0.5492228144,0.0171578981,0.0171578981,GGA,P4_2/n,AB3_tP32_86_g_3g:Si-Zr,32.0,AB3_tP32_86_g_3g:Si-Zr +mp-1188035,Zr3Si,-8.1003861388,-0.3332811588,0.2330995537,0.2330995537,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Zr,8.0,AB3_hP8_194_c_h:Si-Zr +mp-1128,SiIr,-7.7948665988,-0.6629904938,0.0,-0.0472507782,GGA,Pnma,AB_oP8_62_c_c:Ir-Si,8.0,AB_oP8_62_c_c:Ir-Si +mp-1215348,Zr5Si3,-7.7710577037,-0.3942505487,0.423185705,0.423185705,GGA,Pm,A3B5_mP8_6_3a_a4b:Si-Zr,8.0,A3B5_mP8_6_3a_a4b:Si-Zr +mp-568115,Zr5Si3,-8.1702067013,-0.7933995463,0.0240367075,0.0240367075,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Zr,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_4d4g:Si-Zr, expected Zr20Si3 to be Zr5Si3" +mp-1206741,Si2Ir,-7.0713834267,-0.5083600133,0.0129532178,0.0129532178,GGA,Fm-3m,AB2_cF12_225_a_c:Ir-Si,3.0,AB2_cF12_225_a_c:Ir-Si +mp-1207024,Zr3Si2,-8.153541026,-0.854793436,0.0,-0.0288465728,GGA,P4/mbm,A2B3_tP10_127_g_ah:Si-Zr,10.0,A2B3_tP10_127_g_ah:Si-Zr +mp-893,ZrSi,-7.8843457338,-0.8978364038000001,0.0012215288,-0.0928746769,GGA,Pnma,AB_oP8_62_c_c:Si-Zr,8.0,AB_oP8_62_c_c:Si-Zr +mp-11322,ZrSi,-7.8855672625,-0.8990579325,0.0,-0.0940962056,GGA,Cmcm,AB_oC8_63_c_c:Si-Zr,4.0,AB_oC8_63_c_c:Si-Zr +mp-1066771,ZrSi,-7.000387935,-0.013878605,0.8851793275000001,0.7910831219000001,GGA,I4_1/amd,AB_tI8_141_a_b:Si-Zr,4.0,AB_tI8_141_a_b:Si-Zr +mp-2084,Si5Ir3,-7.2911396353,-0.5859030491,0.0005743359,0.0005743359,GGA,P2_1/c,A3B5_mP64_14_6e_10e:Ir-Si,64.0,"Invalid WP multiplicities - A3B5_mP64_14_6e_13e:Ir-Si, expected Si13Ir6 to be Si5Ir3" +mp-1103038,SiIr2,-8.1892548217,-0.488526025,0.0,-0.0045969521,GGA,Pnma,A2B_oP12_62_2c_c:Ir-Si,12.0,A2B_oP12_62_2c_c:Ir-Si +mp-1206308,SiIr2,-8.032130535,-0.3314017383,0.1571242867,0.1525273346,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Ir-Si,6.0,A2B_hP6_194_ac_d:Ir-Si +mp-569802,Si3Ir,-6.15921837,0.1193786975,0.5103636208,0.5103636208,GGA,P6_3mc,AB3_hP8_186_b_c:Ir-Si,8.0,AB3_hP8_186_b_c:Ir-Si +mp-29663,Si3Ir,-6.1408449725,0.137752095,0.5287370183,0.5287370183,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Ir-Si,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Ir-Si, expected Si5Ir to be Si3Ir" +mp-15656,Si4Ir3,-7.5583419629,-0.6702598686,0.0,-0.0423573211,GGA,Pnma,A3B4_oP28_62_3c_4c:Ir-Si,28.0,A3B4_oP28_62_3c_4c:Ir-Si +mp-1841,SiIr3,-8.379553505,-0.3943983625,0.0,-0.0280038437,GGA,I4/mcm,A3B_tI16_140_ah_b:Ir-Si,8.0,A3B_tI16_140_ah_b:Ir-Si +mp-1219241,Si2Ir3,-7.670245302,-0.197057582,0.3612542305,0.3612542305,GGA,P-6m2,A3B2_hP5_187_ai_bc:Ir-Si,5.0,A3B2_hP5_187_ai_bc:Ir-Si +mp-1515,ZrSi2,-7.0665733883,-0.6004611583,0.0,-0.0010892033,GGA,Cmcm,A2B_oC12_63_2c_c:Si-Zr,6.0,A2B_oC12_63_2c_c:Si-Zr +mp-1102869,ZrSiIr,-8.7262917083,-1.122474095,0.0,-0.3135338033,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Zr,12.0,ABC_oP12_62_c_c_c:Ir-Si-Zr +mp-1278,Zr2Si,-8.2620807133,-0.7551742833,0.0,-0.0361900125,GGA,I4/mcm,AB2_tI12_140_a_h:Si-Zr,6.0,AB2_tI12_140_a_h:Si-Zr +mp-865079,TiZnPd2,-5.4604951425,-0.5817453308,0.0,-0.0201445337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Pd-Ti-Zn +mp-1217168,Ti4Pd,-7.57666996,-0.2242999847,0.0529252453,0.0529252453,GGA,I4/mmm,AB4_tI10_139_a_2e:Pd-Ti,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_3e:Pd-Ti, expected Ti6Pd to be Ti4Pd" +mp-30882,TiZn2,-3.6696335767,-0.1979738311,0.0,-0.00023155,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ti-Zn,12.0,AB2_hP12_194_f_ah:Ti-Zn +mp-570199,Ti3Pd5,-6.8151278875,-0.61689225,0.0,-0.0021505688,GGA,P4/mmm,A5B3_tP8_123_agh_bh:Pd-Ti,8.0,"Invalid WP multiplicities - A5B3_tP8_123_a2gh_bh:Pd-Ti, expected Ti3Pd7 to be Ti3Pd5" +mp-1080070,Ti3Pd5,-6.4975214663,-0.2992858288,0.3176064212,0.3154558525,GGA,P4/mmm,A5B3_tP8_123_agh_bh:Pd-Ti,8.0,A5B3_tP8_123_agh_bh:Pd-Ti +mp-1079796,Ti3Pd,-7.5631210025,-0.3465315375,0.0,-0.0085187433,GGA,Pm-3n,AB3_cP8_223_a_c:Pd-Ti,8.0,AB3_cP8_223_a_c:Pd-Ti +mp-1208498,Ti3Zn22,-2.1778366282,-0.1218032094,0.0,-0.0140270614,GGA,P4_2/mbc,A3B22_tP100_135_bh_g2h4i:Ti-Zn,100.0,A3B22_tP100_135_bh_g2h4i:Ti-Zn +mp-30840,Ti2Pd3,-6.870789104,-0.6046632113,0.0,-0.0020174063,GGA,Cmcm,A3B2_oC20_63_cg_g:Pd-Ti,10.0,A3B2_oC20_63_cg_g:Pd-Ti +mp-1014230,TiZn,-4.77054914,-0.1929313267,0.0,-0.0155979733,GGA,Pm-3m,AB_cP2_221_a_b:Ti-Zn,2.0,AB_cP2_221_a_b:Ti-Zn +mp-979261,TiPd,-7.08259678,-0.5449098667,0.0020110375,0.0020110375,GGA,P2_1/m,AB_mP4_11_e_e:Pd-Ti,4.0,AB_mP4_11_e_e:Pd-Ti +mp-980094,TiPd,-7.0819403075,-0.5442533942000001,0.00266751,0.00266751,GGA,Pmma,AB_oP4_51_e_f:Pd-Ti,4.0,AB_oP4_51_e_f:Pd-Ti +mp-1056985,TiPd,-7.06983034,-0.5321434267,0.0147774775,0.0147774775,GGA,P4/mmm,AB_tP2_123_a_d:Pd-Ti,2.0,AB_tP2_123_a_d:Pd-Ti +mp-11546,TiPd,-7.01121821,-0.4735312967,0.0733896075,0.0733896075,GGA,Pm-3m,AB_cP2_221_a_b:Pd-Ti,2.0,AB_cP2_221_a_b:Pd-Ti +mp-2327,TiZn16,-1.7143889065,-0.0643071549,0.0,-0.0045996993,GGA,Cmcm,AB16_oC68_63_c_ac2fg2h:Ti-Zn,34.0,AB16_oC68_63_c_ac2fg2h:Ti-Zn +mp-1014229,Ti2Zn,-5.8402687567000005,-0.1566928756,0.0,-0.0210104617,GGA,I4/mmm,A2B_tI6_139_e_a:Ti-Zn,3.0,A2B_tI6_139_e_a:Ti-Zn +mp-1105911,TiPd3,-6.5084367537,-0.6496523921,0.0,-0.1759980438,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pd-Ti,16.0,A3B_hP16_194_gh_ac:Pd-Ti +mp-636328,TiPd3,-6.500012645,-0.6412282833,0.0084241087,-0.167573935,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Ti,4.0,A3B_cP4_221_c_a:Pd-Ti +mp-13164,Ti2Pd,-7.44097234,-0.4506837256,0.0,-0.0380260783,GGA,I4/mmm,AB2_tI6_139_a_e:Pd-Ti,3.0,AB2_tI6_139_a_e:Pd-Ti +mp-1096372,TiZn2Pd,-2.0595085125,1.8392067492,2.2301532937,2.2301532937,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Ti-Zn,4.0,ABC2_oI8_71_a_b_e:Pd-Ti-Zn +mp-1187491,TiZn2Pd,-4.2758953175,-0.3771800558,0.0137664887,0.0137664887,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ti-Zn,4.0,ABC2_cF16_225_a_b_c:Pd-Ti-Zn +mp-1187474,Ti3Zn,-6.3428849325,-0.1063300175,0.0111896392,0.0111896392,GGA,I4/mmm,A3B_tI8_139_ad_b:Ti-Zn,4.0,A3B_tI8_139_ad_b:Ti-Zn +mp-866186,Ti3Zn,-6.3436128725,-0.1070579575,0.0104616992,0.0104616992,GGA,Pm-3m,A3B_cP4_221_c_a:Ti-Zn,4.0,A3B_cP4_221_c_a:Ti-Zn +mp-1187531,TiZn3,-3.1127570075,-0.1940762958,0.0060714625,-0.0258566138,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ti-Zn,8.0,AB3_hP8_194_c_h:Ti-Zn +mp-21289,TiZn3,-3.11882847,-0.2001477583,0.0,-0.0319280763,GGA,Pm-3m,AB3_cP4_221_a_c:Ti-Zn,4.0,AB3_cP4_221_a_c:Ti-Zn +mp-1061861,TiPd2,-6.7166243433,-0.6315391311,0.0,-0.0037268337,GGA,Immm,A2B_oI6_71_e_a:Pd-Ti,3.0,A2B_oI6_71_e_a:Pd-Ti +mp-1018121,TiPd2,-6.7153433967,-0.6302581844,0.0012809467,-0.0024458871,GGA,I4/mmm,A2B_tI6_139_e_a:Pd-Ti,3.0,A2B_tI6_139_e_a:Pd-Ti +mp-1205524,Ho3Ru2,-6.75440062,-0.295194282,0.0701515857,0.0701515857,GGA,P6_3/m,A3B2_hP10_176_h_bc:Ho-Ru,10.0,A3B2_hP10_176_h_bc:Ho-Ru +mp-1104820,Ho5Ru2,-6.2972028336,-0.3742243436,0.0,-0.0360122575,GGA,C2/c,A5B2_mC28_15_e2f_f:Ho-Ru,14.0,A5B2_mC28_15_e2f_f:Ho-Ru +mp-1184890,HoPaRu2,-8.5828995625,-0.42142991,0.0,-0.1629578419,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-Pa-Ru +mp-1189938,Ho3Ru,-6.0930177481,-0.3376104606,0.0,-0.01016416,GGA,Pnma,A3B_oP16_62_cd_c:Ho-Ru,16.0,A3B_oP16_62_cd_c:Ho-Ru +mp-1102089,HoRu2,-8.0550340742,-0.3446294242,0.0,-0.1699913972,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Ru,12.0,AB2_hP12_194_f_ah:Ho-Ru +mp-1104500,Sm5Ir2,-6.45755649,-0.5618709136,0.0,-0.010126758,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Sm,14.0,A2B5_mC28_15_f_e2f:Ir-Sm +mp-1199558,Sm5Ir3,-6.9531045744,-0.6895754225,0.0,-0.1979383731,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Sm,32.0,A3B5_tP32_130_cf_bg:Ir-Sm +mp-7342,Sm3Ir,-6.245159795,-0.4966116488,0.0,-0.0049745994,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Sm,16.0,AB3_oP16_62_c_cd:Ir-Sm +mp-1495,ErIr2,-8.25729952,-0.84243713,0.0,-0.2280480267,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Ir,6.0,AB2_cF24_227_a_d:Er-Ir +mp-1212945,Er4Ir,-5.32081095,0.101050934,0.5938514810000001,0.5938514810000001,GGA,Fd-3m,A4B_cF40_227_e_a:Er-Ir,10.0,A4B_cF40_227_e_a:Er-Ir +mp-979614,Sm3Er,-4.6592144363,0.0216548675,0.0216548675,0.0216548675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Sm,8.0,AB3_hP8_194_c_h:Er-Sm +mp-972539,Sm3Er,-4.669813345,0.0110559588,0.0110559588,0.0110559588,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Sm,4.0,AB3_cP4_221_a_c:Er-Sm +mp-1187013,SmErIr2,-7.5039523825,-0.7631590563,0.0418773482,0.0418773482,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ir-Sm,4.0,AB2C_cF16_225_a_c_b:Er-Ir-Sm +mp-978548,SmEr3,-4.5775693025,0.0278663388,0.0278663388,0.0278663388,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Sm,4.0,A3B_tI8_139_ad_b:Er-Sm +mp-978927,SmEr3,-4.5911520837,0.0142835575,0.0142835575,0.0142835575,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Sm,8.0,A3B_hP8_194_h_c:Er-Sm +mp-1201760,Er5Ir3,-7.02895622,-0.8597191463,0.0,-0.0408695451,GGA,P4/ncc,A5B3_tP32_130_bg_cf:Er-Ir,32.0,A5B3_tP32_130_bg_cf:Er-Ir +mp-1189715,Er5Ir3,-6.9930199669,-0.8237828931000001,0.0359362531,-0.004933292,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Ir,16.0,A5B3_hP16_193_dg_g:Er-Ir +mp-2713,ErIr,-7.62466015,-0.921583655,0.0,-0.0692710871,GGA,Pm-3m,AB_cP2_221_a_b:Er-Ir,2.0,AB_cP2_221_a_b:Er-Ir +mp-1189478,Er3Ir,-6.2513983363,-0.6160006838000001,0.0,-0.005518765,GGA,Pnma,A3B_oP16_62_cd_c:Er-Ir,16.0,A3B_oP16_62_cd_c:Er-Ir +mp-1196567,Er3Ir2,-7.1287782334,-0.8527732754,0.0193187726,0.0193187726,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Er-Ir,70.0,A3B2_tI140_140_bgh2m_acfh2l:Er-Ir +mp-1103964,Er5Ir2,-6.4856168229,-0.6976936214,0.0,-0.0120590912,GGA,C2/c,A5B2_mC28_15_e2f_f:Er-Ir,14.0,A5B2_mC28_15_e2f_f:Er-Ir +mp-977583,LiNpIr2,-8.2771251725,-0.1437324455,0.1889111667,0.1889111667,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Np,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Np +mp-2149,NpIr2,-10.65174083,-0.4435248163,0.0,-0.4435248162,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Np,6.0,A2B_cF24_227_c_b:Ir-Np +mp-30738,LiIr3,-7.3100906025,-0.2040342508,0.0,-0.0710627025,GGA,Imm2,A3B_oI8_44_ac_b:Ir-Li,4.0,A3B_oI8_44_ac_b:Ir-Li +mp-279,LiIr,-5.63962162,-0.2659430967,0.0,-0.1299202628,GGA,P-6m2,AB_hP2_187_a_d:Ir-Li,2.0,AB_hP2_187_a_d:Ir-Li +mp-1185256,Li3Np,-3.9957835675,0.6728535028,0.6728535028,0.6728535028,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Np,8.0,A3B_hP8_194_h_c:Li-Np +mp-1185274,LiNp3,-9.7479640325,0.4401014451,0.4401014451,0.4401014451,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Np,4.0,AB3_cF16_225_a_bc:Li-Np +mp-982619,Ho3Tm,-4.5457598138,0.0100056946,0.0100056946,0.0100056946,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Tm,8.0,A3B_hP8_194_h_c:Ho-Tm +mp-30585,HoCu5,-4.3779843333,-0.1982439633,0.0,-0.0592344708,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Ho,6.0,A5B_hP6_191_cg_a:Cu-Ho +mp-580364,HoCu5,-4.37098623,-0.19124586,0.0069981033,-0.0522363675,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Ho,6.0,"Invalid WP multiplicities - A5B_cF24_216_a2e_c:Cu-Ho, expected HoCu9 to be HoCu5" +mp-30600,TmCu5,-4.3609432633,-0.1989651344,0.0,-0.0545306883,GGA,F-43m,A5B_cF24_216_ae_c:Cu-Tm,6.0,A5B_cF24_216_ae_c:Cu-Tm +mp-1184899,HoTm3,-4.4951216212,0.0073571638,0.0073571638,0.0073571638,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Tm,8.0,AB3_hP8_194_c_h:Ho-Tm +mp-985,TmCu,-4.581016995,-0.2934959483,0.0,-0.0768442792,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Tm,2.0,AB_cP2_221_a_b:Cu-Tm +mp-1077209,TmCu2,-4.51361848,-0.2888688922,0.0,-0.0426383508,GGA,Imma,A2B_oI12_74_h_e:Cu-Tm,6.0,A2B_oI12_74_h_e:Cu-Tm +mp-1971,HoCu,-4.607587675,-0.266779905,0.0,-0.0582656663,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Ho,2.0,AB_cP2_221_a_b:Cu-Ho +mp-30584,HoCu2,-4.5382930550000005,-0.278018985,0.0,-0.0455070508,GGA,Imma,A2B_oI12_74_h_e:Cu-Ho,6.0,A2B_oI12_74_h_e:Cu-Ho +mp-976972,HoTmCu2,-4.588620415,-0.2744560067,0.00568192,0.00568192,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ho-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Ho-Tm +mp-984351,CuAg3,-3.0635108625,0.0857078075,0.0857078075,0.0857078075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Cu,8.0,A3B_hP8_194_h_c:Ag-Cu +mp-1937,YbCu,-3.1090451725,-0.2896376975,0.0,-0.070726985,GGA,Pnma,AB_oP8_62_c_c:Cu-Yb,,AB_oP8_62_c_c:Cu-Yb +mp-1193632,Yb6Cu23,-3.7738853159,-0.2042507266,0.0384226844,0.0384226844,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Cu-Yb,,A23B6_cF116_225_ad2f_e:Cu-Yb +mp-1187915,Yb3Ag,-1.9593663475,-0.0965211367,0.1363645425,0.1363645425,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Yb,,AB3_cP4_221_a_c:Ag-Yb +mp-568559,YbAg2,-2.7651409517000003,-0.3635675228,0.0,-0.023136294,GGA,Imma,A2B_oI12_74_h_e:Ag-Yb,,A2B_oI12_74_h_e:Ag-Yb +mp-1008617,YbAg2,-2.74068049,-0.3391070611,0.0244604617,0.0013241677,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Yb,,A2B_tI6_139_e_a:Ag-Yb +mp-1607,YbCu5,-3.899623405,-0.2270164667,0.0,-0.0624811592,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Yb,,A5B_hP6_191_cg_a:Cu-Yb +mp-571212,Yb5Ag3,-2.373792195,-0.3493285188,0.0,-0.0073468331,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ag-Yb,,"Invalid WP multiplicities - A3B5_tI32_140_2a3h_2c2l:Ag-Yb, expected Yb5Ag4 to be Yb5Ag3" +mp-567538,YbCu2,-3.5378881567,-0.29188095,0.0,-0.0335538679,GGA,Imma,A2B_oI12_74_h_e:Cu-Yb,,A2B_oI12_74_h_e:Cu-Yb +mp-1103426,YbCu2,-3.5126307317,-0.266623525,0.025257425,-0.0082964429,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cu-Yb,,A2B_hP12_194_ah_f:Cu-Yb +mp-1077741,YbCu4Ag,-3.7123988783,-0.2509003844,0.0,-0.0256961667,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Yb,,AB4C_cF24_216_a_e_c:Ag-Cu-Yb +mp-568629,YbAg,-2.599888565,-0.4138064233,0.001361205,-0.0494808119,GGA,Pnma,AB_oP8_62_c_c:Ag-Yb,,AB_oP8_62_c_c:Ag-Yb +mp-2266,YbAg,-2.60124977,-0.4151676283,0.0,-0.0508420169,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Yb,,AB_cP2_221_a_b:Ag-Yb +mp-1184011,Cu3Ag,-3.6921690825,0.0903749208,0.0903749208,0.0903749208,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Cu,4.0,AB3_tI8_139_a_bd:Ag-Cu +mp-571608,Yb3Ag2,-2.421567834,-0.3647804647,0.0,-0.002284124,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ag-Yb,,"Invalid WP multiplicities - A2B3_tP10_127_g_2a2h:Ag-Yb, expected Yb3Ag to be Yb3Ag2" +mp-1188064,YbAg3,-2.7874269263,-0.2781078538,0.0307392487,0.0307392487,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Yb,,A3B_hP8_194_h_c:Ag-Yb +mp-1187821,YbAg3,-2.7860496625,-0.27673059,0.0321165125,0.0321165125,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Yb,,A3B_cF16_225_ac_b:Ag-Yb +mp-1187968,Yb3Cu,-2.095540755,0.0839671225,0.2287859713,0.2287859713,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Yb,,AB3_cP4_221_a_c:Cu-Yb +mp-569486,Yb2Ag7,-2.8358412494,-0.2906069624,0.0,-0.0433999813,GGA,Cmcm,A7B2_oC36_63_cgh_f:Ag-Yb,,"Invalid WP multiplicities - A7B2_oC36_63_2c3g3h_f:Ag-Yb, expected YbAg10 to be Yb2Ag7" +mp-861889,Sc3Tc,-7.4097475062,-0.0702359412,0.0441518966,0.0441518966,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sc-Tc,8.0,A3B_hP8_194_h_c:Sc-Tc +mp-867262,ScTc3,-9.4670032225,-0.1134067375,0.1153689381,0.1153689381,GGA,Fm-3m,AB3_cF16_225_a_bc:Sc-Tc,4.0,AB3_cF16_225_a_bc:Sc-Tc +mp-977552,Be3Tc,-5.6612924475,-0.2665730625,0.0,-0.2665730625,GGA,Pm-3m,A3B_cP4_221_c_a:Be-Tc,4.0,A3B_cP4_221_c_a:Be-Tc +mp-1209010,Sc2Be17,-4.1867984655,-0.1744323121,0.0028363492,0.0028363492,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Be-Sc,38.0,A17B2_hP38_194_fgjk_bc:Be-Sc +mp-1215101,Be13Tc,-3.489306547,0.723051038,0.7992147702,0.7992147702,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-Tc,56.0,A13B_cF224_227_ab2g_c:Be-Tc +mp-1101860,ScTc2,-9.3229498992,-0.3050342342,0.0,-0.1988226294,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Sc-Tc,12.0,AB2_hP12_194_f_ah:Sc-Tc +mp-11277,ScBe5,-4.3670145783,-0.1954256733,0.0,-0.0329642062,GGA,P6/mmm,A5B_hP6_191_cg_a:Be-Sc,6.0,A5B_hP6_191_cg_a:Be-Sc +mp-972891,ScBe13,-4.091894945,-0.1672637771,0.0,-0.0488989939,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Sc,28.0,A13B_cF112_226_bi_a:Be-Sc +mp-862563,Sc2BeTc,-6.8236446425,-0.1323971375,0.0406184023,0.0406184023,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Be-Sc-Tc +mp-1183841,DyHo3,-4.5631539725,0.02534939,0.02534939,0.02534939,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-Ho,4.0,AB3_tI8_139_a_bd:Dy-Ho +mp-1183844,DyHo3,-4.5752415562,0.0132618063,0.0132618063,0.0132618063,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Ho,8.0,AB3_hP8_194_c_h:Dy-Ho +mp-1183788,DyHo3,-4.5621357925,0.02636757,0.02636757,0.02636757,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Ho,4.0,AB3_cP4_221_a_c:Dy-Ho +mp-1225502,DyHo,-4.579797505,0.01480035,0.01480035,0.01480035,GGA,P-6m2,AB_hP2_187_a_d:Dy-Ho,2.0,AB_hP2_187_a_d:Dy-Ho +mp-1189763,Dy3Tl5,-3.4858662888,-0.2816692571,0.0007748862,0.0007748862,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Dy-Tl,16.0,A3B5_oC32_63_ce_cfg:Dy-Tl +mp-2013,HoTl3,-3.1335706875,-0.21598611,0.0,-0.0415177407,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Tl,4.0,AB3_cP4_221_a_c:Ho-Tl +mp-1540,HoTl,-3.7881088,-0.3155827917,0.0,-0.0363961812,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Tl,2.0,AB_cP2_221_a_b:Ho-Tl +mp-30625,Dy2Tl,-4.1173452767,-0.2586063344,0.006682005,0.006682005,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Dy-Tl,6.0,A2B_hP6_194_ac_d:Dy-Tl +mp-1188242,Ho3Tl5,-3.4567578469,-0.261702554,0.0040818969,0.0040818969,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ho-Tl,16.0,A3B5_oC32_63_ce_cfg:Ho-Tl +mp-1189395,Dy5Tl3,-4.0444106269,-0.2791776719,0.01927171,-0.0023393769,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Dy-Tl,16.0,A5B3_tI32_140_cl_ah:Dy-Tl +mp-1181553,Dy5Tl3,-4.0636823369,-0.2984493819,0.0,-0.0216110869,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Tl,16.0,A5B3_hP16_193_dg_g:Dy-Tl +mp-1184065,Dy3Ho,-4.57669972,0.0239926275,0.0239926275,0.0239926275,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Ho,4.0,A3B_cP4_221_c_a:Dy-Ho +mp-1212214,Ho5Tl3,-4.0266123625,-0.2766156387,0.0200550281,-0.039928545,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ho-Tl,16.0,A5B3_tI32_140_cl_ah:Ho-Tl +mp-1181055,Ho5Tl3,-4.0466673906,-0.2966706669,0.0,-0.0599835731,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Tl,16.0,A5B3_hP16_193_dg_g:Ho-Tl +mp-2415,DyTl3,-3.15703318,-0.23335411,0.0,-0.0455746053,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Tl,4.0,AB3_cP4_221_a_c:Dy-Tl +mp-11374,DyTl,-3.81624917,-0.3315341767,0.0,-0.0414748572,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Tl,2.0,AB_cP2_221_a_b:Dy-Tl +mp-1183780,DyHoTl2,-3.8109248475,-0.3323043467,0.0,-0.0087458625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-Tl +mp-1227533,Be10Ru3,-5.1746189727,-0.1579007981,0.1656668736,0.1656668736,GGA,Cm,A10B3_mC52_8_6a7b_2a2b:Be-Ru,26.0,"Invalid WP multiplicities - A10B3_mC52_8_6a10b_2a2b:Be-Ru, expected Be13Ru3 to be Be10Ru3" +mp-1227622,Be46Ru7,-4.5645071902000005,-0.094057953,0.1506736739,0.1506736739,GGA,P3m1,A46B7_hP53_156_6a6b7c9d_6ab:Be-Ru,53.0,"Invalid WP multiplicities - A46B7_hP53_156_6a6b7c27d_6ab:Be-Ru, expected Be100Ru7 to be Be46Ru7" +mp-1183427,BeGe3,-3.883753455,0.5183706525,0.5183706525,0.5183706525,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Ge,4.0,AB3_tI8_139_a_bd:Be-Ge +mp-1183420,BeGe3,-3.869024405,0.5330997025,0.5330997025,0.5330997025,GGA,Pm-3m,AB3_cP4_221_a_c:Be-Ge,4.0,AB3_cP4_221_a_c:Be-Ge +mp-1025397,GeRu,-7.2314897212,-0.2827745237,0.0111882608,0.0111882608,GGA,P2_13,AB_cP8_198_a_a:Ge-Ru,8.0,AB_cP8_198_a_a:Ge-Ru +mp-1196493,Be3Ru2,-5.8704267737,0.0829819613,0.3818607533,0.3818607533,GGA,Ia-3,A3B2_cI80_206_e_ad:Be-Ru,40.0,A3B2_cI80_206_e_ad:Be-Ru +mp-30443,Be17Ru3,-4.8476065211,-0.2779452049,0.0,-0.0772871066,GGA,Im-3,A17B3_cI160_204_def2gh_g:Be-Ru,80.0,A17B3_cI160_204_def2gh_g:Be-Ru +mp-1183424,Be3Ge,-3.584141675,0.3761749375,0.3761749375,0.3761749375,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Ge,4.0,A3B_tI8_139_ad_b:Be-Ge +mp-21945,Ge3Ru2,-6.8363330705,-0.3527553415,0.0,-0.1265357225,GGA,Pbcn,A3B2_oP40_60_3d_2cd:Ge-Ru,40.0,A3B2_oP40_60_3d_2cd:Ge-Ru +mp-706531,Ge3Ru2,-6.833647323,-0.350069594,0.0026857475,-0.123849975,GGA,P-4c2,A3B2_tP20_116_ej_adi:Ge-Ru,20.0,A3B2_tP20_116_ej_adi:Ge-Ru +mp-865562,Be3Ru,-5.4575904475,-0.3344301638,0.0,-0.0269527724,GGA,I4/mmm,A3B_tI8_139_ad_b:Be-Ru,4.0,A3B_tI8_139_ad_b:Be-Ru +mp-984612,Be3Ru,-5.4473699038,-0.32420962,0.0102205438,-0.0167322287,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-Ru,8.0,A3B_hP8_194_h_c:Be-Ru +mp-1103315,Be2Ru,-5.91649697,-0.3320875467,0.0,-0.03481629,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Ru,12.0,A2B_hP12_194_ah_f:Be-Ru +mp-1183473,BeRu3,-7.7987863575,0.0918687637,0.2164015938,0.2164015938,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Ru,4.0,AB3_tI8_139_a_bd:Be-Ru +mp-1227382,Be8Ru,-4.4673357828,-0.112924065,0.0929612719,0.0929612719,GGA,P-6m2,A8B_hP18_187_aghikn_h:Be-Ru,18.0,A8B_hP18_187_aghikn_h:Be-Ru +mp-862713,BeGeRu2,-7.0075109625,-0.2796995125,0.0,-0.0081852902,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Ge-Ru,4.0,ABC2_cF16_225_a_b_c:Be-Ge-Ru +mp-1093693,HfTlAu2,-3.0987758075,1.6181232367,2.0386560642,2.0386560642,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Tl,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Tl +mp-1183877,Eu2CdGa,-6.5233925475,-0.4071452019,0.0053214025,0.0053214025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Ga,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Ga +mp-22317,EuGa2,-5.9991267783,-0.5613954967,0.0,-0.0226017368,GGA,Imma,AB2_oI12_74_e_h:Eu-Ga,6.0,AB2_oI12_74_e_h:Eu-Ga +mp-21168,EuGa2,-5.9744149467,-0.5366836650000001,0.0247118317,0.0021100949,GGA,P6/mmm,AB2_hP3_191_a_d:Eu-Ga,3.0,AB2_hP3_191_a_d:Eu-Ga +mp-21884,EuGa4,-4.9182183340000005,-0.444341156,0.0,-0.0756287787,GGA,I4/mmm,AB4_tI10_139_a_de:Eu-Ga,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_d2e:Eu-Ga, expected EuGa6 to be EuGa4" +mp-1213313,Eu5Ga3,-7.8780623394,-0.3319002059,0.0499896681,0.0499896681,GGA,C2/m,A5B3_mC32_12_ghij_ij:Eu-Ga,16.0,A5B3_mC32_12_ghij_ij:Eu-Ga +mp-1184542,Eu3Ga5,-6.2879518912,-0.5490162022,0.0,-0.0061812781,GGA,Cmcm,A3B5_oC32_63_cf_c2f:Eu-Ga,16.0,"Invalid WP multiplicities - A3B5_oC32_63_cf_c3f:Eu-Ga, expected Eu3Ga7 to be Eu3Ga5" +mp-1102706,Eu3Ga8,-5.5024053855,-0.5027896055000001,0.0053993727,0.0053993727,GGA,Immm,A3B8_oI22_71_af_2e2f:Eu-Ga,11.0,A3B8_oI22_71_af_2e2f:Eu-Ga +mp-672286,Eu3Ga2,-7.772788688,-0.407349199,0.0,-0.02965988,GGA,C2/c,A3B2_mC20_15_ef_f:Eu-Ga,10.0,"Invalid WP multiplicities - A3B2_mC20_15_e2f_f:Eu-Ga, expected Eu5Ga2 to be Eu3Ga2" +mp-1079244,EuGa,-7.11466056,-0.4721116488,0.0,-0.0017993372,GGA,P-1,AB_aP8_2_2i_2i:Eu-Ga,8.0,AB_aP8_2_4i_4i:Eu-Ga +mp-1183646,Cd3Ga,-1.3955371075,0.0536542181,0.0536542181,0.0536542181,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Ga,4.0,A3B_tI8_139_ad_b:Cd-Ga +mp-1183662,Cd3Ga,-1.39703133,0.0521599956,0.0521599956,0.0521599956,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Ga,8.0,A3B_hP8_194_h_c:Cd-Ga +mp-1193741,Eu5Ga9,-6.162786335,-0.5529382491,0.001383365,0.001383365,GGA,Cmcm,A5B9_oC56_63_c2f_c4f:Eu-Ga,28.0,A5B9_oC56_63_c2f_c4f:Eu-Ga +mp-1220601,Nb6Te8Pb,-6.578874314,-0.6144126836,0.0424517552,0.0424517552,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Pb-Te,15.0,A6BC8_hP15_147_g_a_dg:Nb-Pb-Te +mp-22068,Nb3Pb,-8.383447515,0.1206930325,0.1206930325,0.1206930325,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Pb,8.0,A3B_cP8_223_c_a:Nb-Pb +mp-30803,PuNi2,-8.4382878,0.1710827633,0.3869443137,0.3869443137,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Pu,6.0,A2B_cF24_227_c_b:Ni-Pu +mp-1224107,InNi4,-5.132765418,0.041680672,0.111582344,0.111582344,GGA,I4/mmm,AB4_tI10_139_a_2e:In-Ni,,"Invalid WP multiplicities - AB4_tI10_139_a_3e:In-Ni, expected InNi6 to be InNi4" +mp-567327,Pu2Ni17,-6.7634615913000005,-0.0898826324,0.0409768845,0.0409768845,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Pu,38.0,"Invalid WP multiplicities - A17B2_hP38_194_4f5g8j7k_2b2c:Ni-Pu, expected Pu4Ni113 to be Pu2Ni17" +mp-12751,PuNi,-10.1577094875,-0.1337219825,0.0281741803,0.0281741803,GGA,Cmcm,AB_oC8_63_c_c:Ni-Pu,4.0,AB_oC8_63_c_c:Ni-Pu +mp-19876,InNi,-4.440664385,-0.17475418,0.0,-0.0458504974,GGA,P6/mmm,AB_hP6_191_ad_f:In-Ni,6.0,AB_hP6_191_ad_f:In-Ni +mp-20997,InNi,-4.348476845,-0.08256664,0.09218754,0.0463370426,GGA,Pm-3m,AB_cP2_221_a_b:In-Ni,2.0,AB_cP2_221_a_b:In-Ni +mp-21092,InNi2,-4.78672917,-0.0160768067,0.10042598,0.10042598,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Ni,6.0,AB2_hP6_194_c_ad:In-Ni +mp-569318,PuNi4,-7.6898607427,-0.2121837327,0.009270506,0.009270506,GGA,C2/m,A4B_mC30_12_gi2j_ai:Ni-Pu,15.0,A4B_mC30_12_2g2i3j_a2i:Ni-Pu +mp-636403,PuNi3,-8.1449063367,-0.2428442442,0.0,-0.0437374699,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Pu,12.0,"Invalid WP multiplicities - A3B_hR36_166_a2c4h_b2c:Ni-Pu, expected Pu5Ni29 to be PuNi3" +mp-1212307,In7Ni3,-3.802032923,-0.141813308,0.0,-0.0287939765,GGA,Im-3m,A7B3_cI40_229_df_e:In-Ni,20.0,A7B3_cI40_229_df_e:In-Ni +mp-21315,PuNi5,-7.4019478567,-0.207194235,0.0,-0.0303744578,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Pu,6.0,A5B_hP6_191_cg_a:Ni-Pu +mp-21385,In3Ni2,-4.113757352,-0.150692442,0.007591302,0.007591302,GGA,P-3m1,A3B2_hP5_164_ad_d:In-Ni,5.0,A3B2_hP5_164_ad_d:In-Ni +mp-1210171,Pu4Ni,-12.105428382,0.464869618,0.5296280831,0.5296280831,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Pu,10.0,AB4_cF40_227_a_e:Ni-Pu +mp-641509,In9Ni13,-4.6503198291,-0.1090957195,0.0338849732,0.0338849732,GGA,C2/m,A9B13_mC44_12_a2ij_bfh2ij:In-Ni,22.0,"Invalid WP multiplicities - A9B13_mC44_12_a4i3j_b2e2h4i4j:In-Ni, expected In7Ni11 to be In9Ni13" +mp-1219775,PuIn,-8.551531495,-0.041770465,0.168848225,0.111540805,GGA,C2/m,AB_mC4_12_a_d:In-Pu,2.0,AB_mC4_12_a_c:In-Pu +mp-21468,PuIn,-8.72037972,-0.21061869,0.0,-0.05730742,GGA,P4/mmm,AB_tP2_123_a_d:In-Pu,2.0,AB_tP2_123_a_d:In-Pu +mp-20360,PuIn3,-5.860689285,-0.229966905,0.0,-0.12465756,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pu,4.0,A3B_cP4_221_c_a:In-Pu +mp-614895,Pu3In,-11.1050299025,0.2837697775,0.3890791225,0.3890791225,GGA,Pm-3m,AB3_cP4_221_a_c:In-Pu,4.0,AB3_cP4_221_a_c:In-Pu +mp-1184929,In3Ni,-3.292488295,0.2163086725,0.3344864292,0.3344864292,GGA,I4/mmm,A3B_tI8_139_ad_b:In-Ni,4.0,A3B_tI8_139_ad_b:In-Ni +mp-1184852,In3Ni,-3.2853480925,0.223448875,0.3416266317,0.3416266317,GGA,Pm-3m,A3B_cP4_221_c_a:In-Ni,4.0,A3B_cP4_221_c_a:In-Ni +mp-1213091,In3Ni7,-4.95430956,-0.082708765,0.022143743,0.022143743,GGA,P-1,A3B7_aP40_2_6i_ab13i:In-Ni,40.0,A3B7_aP40_2_6i_ab13i:In-Ni +mp-640458,Pu2InNi2,-8.130524809,0.439001941,0.6527663472,0.6527663472,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Pu,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Pu +mp-1223768,InNi3,-4.7275904625,0.29543298,0.38281007,0.38281007,GGA,R-3m,AB3_hR12_166_a_bc:In-Ni,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:In-Ni, expected InNi5 to be InNi3" +mp-22469,InNi3,-5.0867192687,-0.0636958262,0.0236812638,0.0236812638,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Ni,8.0,AB3_hP8_194_c_h:In-Ni +mp-22784,InNi3,-5.06475026,-0.0417268175,0.0456502725,0.0456502725,GGA,Pm-3m,AB3_cP4_221_a_c:In-Ni,4.0,AB3_cP4_221_a_c:In-Ni +mp-11440,HfGa2,-5.7973336758,-0.4595399842,0.0,-0.0130374231,GGA,I4_1/amd,A2B_tI24_141_2e_e:Ga-Hf,12.0,A2B_tI24_141_2e_e:Ga-Hf +mp-30379,GaAu,-3.3804567387,-0.2294677275,0.0,-0.0435830842,GGA,Pnma,AB_oP8_62_c_c:Au-Ga,8.0,AB_oP8_62_c_c:Au-Ga +mp-22337,Hf5Ga3,-7.8003313038,-0.4415521516,0.0,-0.013634268,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Hf,16.0,A3B5_hP16_193_g_dg:Ga-Hf +mp-30572,Hf2Ga,-8.04874054,-0.4012491792,0.0,-0.0087583778,GGA,I4/mcm,AB2_tI12_140_a_h:Ga-Hf,6.0,AB2_tI12_140_a_h:Ga-Hf +mp-571598,Ga2Au7,-3.312884237,-0.0936213431,0.0083643135,0.0083643135,GGA,P-62m,A7B2_hP27_189_adfg2i_eh:Au-Ga,27.0,"Invalid WP multiplicities - A7B2_hP27_189_a2d3f3g10i_2e2h:Au-Ga, expected Ga12Au83 to be Ga2Au7" +mp-1184296,Ga3Au,-3.12975849,-0.0402159731,0.1383702806,0.1383702806,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Ga,4.0,AB3_tI8_139_a_bd:Au-Ga +mp-1184316,Ga3Au,-3.1121061863,-0.0225636694,0.1560225844,0.1560225844,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Ga,8.0,AB3_hP8_194_c_h:Au-Ga +mp-983412,Ga3Au,-3.1225482075,-0.0330056906,0.1455805631,0.1455805631,GGA,Fm-3m,AB3_cF16_225_a_bc:Au-Ga,4.0,AB3_cF16_225_a_bc:Au-Ga +mp-30703,Hf11Ga10,-7.1503056683,-0.4926847371,0.0016078789,0.0016078789,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ga-Hf,42.0,A10B11_tI84_139_dehim_eh2n:Ga-Hf +mp-11387,HfGa3,-5.145877115,-0.3855078406,0.0,-0.0408528525,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Hf,4.0,A3B_tI8_139_ad_b:Ga-Hf +mp-510188,HfGa,-6.9993446633000005,-0.5067021371,0.0,-0.0135147845,GGA,Pbcm,AB_oP24_57_c2d_c2d:Ga-Hf,24.0,AB_oP24_57_c2d_c2d:Ga-Hf +mp-30380,GaAu2,-3.3256076225,-0.1336542817,0.0193242033,0.0193242033,GGA,Cmc2_1,A2B_oC24_36_4a_2a:Au-Ga,12.0,A2B_oC24_36_4a_2a:Au-Ga +mp-1103431,Ga2Au,-3.21214377,-0.1021190883,0.1359959167,0.0508593967,GGA,P2_1/c,AB2_mP12_14_e_2e:Au-Ga,12.0,AB2_mP12_14_e_2e:Au-Ga +mp-1102090,Ga2Au,-3.2500456158,-0.1400209342,0.0980940708,0.0129575508,GGA,Pnma,AB2_oP12_62_c_2c:Au-Ga,12.0,AB2_oP12_62_c_2c:Au-Ga +mp-2776,Ga2Au,-3.3481396867,-0.238115005,0.0,-0.08513652,GGA,Fm-3m,AB2_cF12_225_a_c:Au-Ga,3.0,AB2_cF12_225_a_c:Au-Ga +mp-1184650,Hf3Ga,-8.4523694675,-0.2274536894,0.073483195,0.073483195,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Hf,4.0,AB3_tI8_139_a_bd:Ga-Hf +mp-12952,HfGaAu,-5.93150492,-0.5117825692,0.0,-0.0016573588,GGA,P-6m2,ABC_hP6_187_h_i_ab:Au-Ga-Hf,6.0,ABC_hP6_187_h_i_ab:Au-Ga-Hf +mp-11441,Hf2Ga3,-6.295031563,-0.4952983375,0.0,-0.0168934922,GGA,Fdd2,A3B2_oF40_43_ab_b:Ga-Hf,10.0,A3B2_oF40_43_ab_b:Ga-Hf +mp-1097567,HfGaAu2,-3.1947324375,1.6885298256,2.1563594375,2.1563594375,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ga-Hf,4.0,A2BC_oI8_71_e_a_b:Au-Ga-Hf +mp-1195872,Sm3Ga2,-4.5437764835,-0.5013863935,0.0,-0.0100695998,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Sm,40.0,A2B3_tI80_140_achl_ghm:Ga-Sm +mp-867143,SmGa3,-4.0147096888,-0.5639911381,0.0,-0.0339287841,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Sm,8.0,A3B_hP8_194_h_c:Ga-Sm +mp-21658,Sm5Ga3,-4.5477478078,-0.463095465,0.0069542789,0.0069542789,GGA,P4/ncc,A3B5_tP32_130_cf_cg:Ga-Sm,32.0,"Invalid WP multiplicities - A3B5_tP32_130_cf_c2g:Ga-Sm, expected Sm3Ga to be Sm5Ga3" +mp-1105942,Sm5Ga3,-4.5360338875,-0.4513815447,0.0186681992,0.0186681992,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ga-Sm,16.0,A3B5_tI32_140_ah_cl:Ga-Sm +mp-1210439,SmGa6,-1.884529155,1.385065455,1.7163600757,1.7073461054,GGA,P4/mmm,A6B_tP14_123_is_e:Ga-Sm,14.0,A6B_tP14_123_is_e:Ga-Sm +mp-1104451,SmGa6,-3.6008892307,-0.3312946207,0.0,-0.0090139704,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Sm,14.0,A6B_tP14_125_gm_c:Ga-Sm +mp-1208926,Sm2(Ga3Ir)3,-5.1980322039,-0.6833651316,0.0,-0.1142286654,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Sm +mp-20366,Sm3Ga,-4.5350655825,-0.2391019756,0.0742645203,0.0742645203,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Sm,4.0,AB3_cP4_221_a_c:Ga-Sm +mp-999177,SmGa,-4.4775431875,-0.6042021088,0.0,-0.0340883078,GGA,Cmcm,AB_oC8_63_c_c:Ga-Sm,4.0,AB_oC8_63_c_c:Ga-Sm +mp-11415,Sm9Ga4,-4.5778490562,-0.379413725,0.0062681162,0.0062681162,GGA,I4/m,A4B9_tI26_87_h_a2h:Ga-Sm,13.0,A4B9_tI26_87_h_a2h:Ga-Sm +mp-477,SmGa2,-4.2762522067,-0.68465948,0.0,-0.107264685,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Sm,3.0,A2B_hP3_191_c_b:Ga-Sm +mp-1186350,NiIr3,-8.080461755,-0.00660195,0.0,-0.00660195,GGA,I4/mmm,A3B_tI8_139_ad_b:Ir-Ni,4.0,A3B_tI8_139_ad_b:Ir-Ni +mp-1220071,NiIr,-7.2967846,0.01250083,0.01690213,0.01690213,GGA,R-3m,AB_hR6_166_a_b:Ir-Ni,2.0,AB_hR6_166_a_b:Ir-Ni +mp-1104276,ErNi4,-5.9114439167,-0.3737908107,0.0065499513,0.0065499513,GGA,C2/m,AB4_mC30_12_ai_gi2j:Er-Ni,15.0,AB4_mC30_12_ai_gi2j:Er-Ni +mp-853,ErNi5,-5.914515475,-0.33644844,0.0,-0.0211218603,GGA,P6/mmm,AB5_hP6_191_a_cg:Er-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Er-Ni, expected ErNi8 to be ErNi5" +mp-540546,Er3Ni2,-5.4356488693,-0.3829629113,0.0126518777,0.0126518777,GGA,R-3,A3B2_hR45_148_acf_f:Er-Ni,15.0,A3B2_hR45_148_acf_f:Er-Ni +mp-1188219,Er2Ni7,-5.9203127967,-0.40960231,0.0,-0.0064820772,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Er-Ni,18.0,A2B7_hR54_166_2c_a2cdh:Er-Ni +mp-1200559,Er2Ni7,-5.9168338306,-0.4061233439,0.0034789661,-0.0030031111,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:Er-Ni,36.0,A2B7_hP36_194_2f_aefhk:Er-Ni +mp-1051,ErNi3,-5.9134883417,-0.4364561292,0.0,-0.0091919442,GGA,R-3m,AB3_hR36_166_ac_bch:Er-Ni,12.0,AB3_hR36_166_ac_bch:Er-Ni +mp-1213096,Er4Ni,-4.574232377,0.235970007,0.4484308325,0.4484308325,GGA,Fd-3m,A4B_cF40_227_e_a:Er-Ni,10.0,A4B_cF40_227_e_a:Er-Ni +mp-1939,ErNi2,-5.8562472,-0.48024981,0.0,-0.0285099593,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Ni,6.0,AB2_cF24_227_a_d:Er-Ni +mp-1105907,Er3Ni,-5.1363993094,-0.2655760319,0.0,-0.024422385,GGA,Pnma,A3B_oP16_62_cd_c:Er-Ni,16.0,A3B_oP16_62_cd_c:Er-Ni +mp-30608,Er2Ni17,-5.8601430584,-0.2076293121,0.0048644395,0.0048644395,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Er-Ni,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_fgj2k:Er-Ni, expected Er2Ni23 to be Er2Ni17" +mp-567314,ErNi,-5.6562350388,-0.4823072937,0.0,-0.0628617954,GGA,Pnma,AB_oP8_62_c_c:Er-Ni,8.0,AB_oP8_62_c_c:Er-Ni +mp-862992,Er2NiIr,-6.647197035,-0.708694915,0.0164562938,0.0164562938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Ni +mp-1187048,Sn3Au,-3.777200515,0.0484488762,0.1481572334,0.1481572334,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Sn,8.0,AB3_hP8_194_c_h:Au-Sn +mp-640079,Mn3Au,-7.3891440567,0.3008379124,0.3423350734,0.3423350734,GGA,P4/mmm,AB3_tP12_123_ae_cghi:Au-Mn,12.0,"Invalid WP multiplicities - AB3_tP12_123_a2e_c2gh3i:Au-Mn, expected Mn19Au5 to be Mn3Au" +mp-1775,SnAu,-3.826022075,-0.1842951475,0.0,-0.0801127047,GGA,P6_3/mmc,AB_hP4_194_a_c:Au-Sn,4.0,AB_hP4_194_a_c:Au-Sn +mp-1147651,SnAu,-3.67733669,-0.0356097625,0.148685385,0.0685726803,GGA,P2_13,AB_cP8_198_a_a:Au-Sn,8.0,AB_cP8_198_a_a:Au-Sn +mp-1186041,MnSn3,-5.0313419075,0.2663408068,0.2663408068,0.2663408068,GGA,I4/mmm,AB3_tI8_139_a_bd:Mn-Sn,4.0,AB3_tI8_139_a_bd:Mn-Sn +mp-974906,MnSn3,-5.0182534875,0.2794292268,0.2794292268,0.2794292268,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Sn,8.0,AB3_hP8_194_c_h:Mn-Sn +mp-22027,MnSnAu,-5.5272460233,-0.0454229743,0.0774404574,0.0774404574,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Mn-Sn,3.0,ABC_cF12_216_c_a_b:Au-Mn-Sn +mp-980109,SnAu3,-3.5006795862,-0.0428751225,0.0492724512,0.0492724512,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Sn,8.0,A3B_hP8_194_h_c:Au-Sn +mp-999507,MnSn,-6.4383867725,0.147406801,0.147406801,0.147406801,GGA,P6_3/mmc,AB_hP4_194_a_c:Mn-Sn,4.0,AB_hP4_194_a_c:Mn-Sn +mp-1018155,MnSn,-5.76917759,0.8166159835,0.8166159835,0.8166159835,GGA,F-43m,AB_cF8_216_a_c:Mn-Sn,2.0,AB_cF8_216_a_c:Mn-Sn +mp-1009206,MnSn,-6.275702235,0.3100913385,0.3100913385,0.3100913385,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Sn,2.0,AB_cP2_221_a_b:Mn-Sn +mp-1018145,MnSn,-6.260258225,0.3255353485,0.3255353485,0.3255353485,GGA,Fm-3m,AB_cF8_225_a_b:Mn-Sn,2.0,AB_cF8_225_a_b:Mn-Sn +mp-22389,Mn3Sn,-7.698895305,0.1750091278,0.1750091278,0.1750091278,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Sn,8.0,A3B_hP8_194_h_c:Mn-Sn +mp-1018023,Mn3Sn,-7.6508281925,0.2230762403,0.2230762403,0.2230762403,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Sn,4.0,A3B_cF16_225_ac_b:Mn-Sn +mp-30409,Mn2Au,-7.0192611833,0.1800430114,0.2353725594,0.2353725594,GGA,I4/mmm,AB2_tI6_139_a_e:Au-Mn,3.0,AB2_tI6_139_a_e:Au-Mn +mp-30411,Mn9Au31,-4.6606246712,-0.0619126805,0.0233099261,0.0233099261,GGA,P4/m,A31B9_tP40_83_ae3j4k_cjk:Au-Mn,40.0,"Invalid WP multiplicities - A31B9_tP40_83_ae4j4k_cjk:Au-Mn, expected Mn9Au35 to be Mn9Au31" +mp-1462,Sn2Au,-3.8972863796,-0.1329444763,0.0,-0.0094966418,GGA,Pbca,AB2_oP24_61_c_2c:Au-Sn,24.0,AB2_oP24_61_c_2c:Au-Sn +mp-988940,AlAs,-4.411075395,-0.2087282775,0.276413885,-0.2087282775,GGA,Fm-3m,AB_cF8_225_a_b:Al-As,2.0,AB_cF8_225_a_b:Al-As +mp-1228845,AlNi4As3,-5.4315451025,-0.3261103819,0.0573830297,0.0573830297,GGA,P-6m2,AB3C4_hP8_187_a_bh_2i:Al-As-Ni,8.0,"Invalid WP multiplicities - AB3C4_hP8_187_a_bh_3i:Al-As-Ni, expected Al(Ni2As)3 to be AlNi4As3" +mp-1182888,AlAs2,-4.3184454688,0.0361587446,0.3595868529,0.3595868529,GGA,Ibca,AB2_oI48_73_f_acde:Al-As,24.0,AB2_oI48_73_f_acde:Al-As +mp-1191099,AlAs2,-4.2824051737,0.0721990396,0.3956271479,0.3956271479,GGA,Ibca,AB2_oI48_73_f_acde:Al-As,24.0,AB2_oI48_73_f_acde:Al-As +mp-1183129,Al3As,-3.85288403,0.1210774438,0.363648525,0.363648525,GGA,Pm-3m,A3B_cP4_221_c_a:Al-As,4.0,A3B_cP4_221_c_a:Al-As +mp-1183798,DyLuZn2,-3.2644934,-0.352687255,0.001267935,0.001267935,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Lu-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Lu-Zn +mp-1224495,HfMnAl,-7.9789680925,-0.3573747085,0.0,-0.0048143671,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Hf-Mn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Hf-Mn, expected Hf3(MnAl)2 to be HfMnAl" +mp-1068431,Yb(ZnSb)2,-2.996176732,-0.5327571360000001,0.0,-0.0404777281,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Sb-Yb-Zn,,A2BC2_hP5_164_d_a_d:Sb-Yb-Zn +mp-1216147,Yb2ZnSb2,-3.3999105542,-0.8805180242,0.0,-0.0582411712,GGA,Pm,A2B2C_mP45_6_10a8b_6a12b_8ab:Sb-Yb-Zn,,A2B2C_mP45_6_10a8b_6a12b_8ab:Sb-Yb-Zn +mp-1093601,LiCa2Zn,-0.5520744,1.2428921592,1.379709131,1.379709131,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Li-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Li-Zn +mp-1102084,DyTc2,-8.6251600075,-0.1824717642,0.0,-0.1824717642,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Tc,12.0,AB2_hP12_194_f_ah:Dy-Tc +mp-1184093,DyTh3,-6.6775123225,0.034578075,0.034578075,0.034578075,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Th,4.0,AB3_cP4_221_a_c:Dy-Th +mp-1225515,DyTh2,-6.4434671567,0.0347006233,0.0347006233,0.0347006233,GGA,P-3m1,AB2_hP3_164_a_d:Dy-Th,3.0,AB2_hP3_164_a_d:Dy-Th +mp-866011,DyThTc2,-8.2120690875,-0.0265883425,0.1102654806,0.1102654806,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Dy-Tc-Th +mp-20379,DyTh,-5.862848645,0.1474739,0.1474739,0.1474739,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Th,2.0,AB_cP2_221_a_b:Dy-Th +mp-631395,CaTaTc,-7.0331271,1.0415450517,1.37333507,1.37333507,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Ta-Tc,3.0,ABC_cF12_216_a_c_b:Ca-Ta-Tc +mp-976029,Ho3Zr,-5.4880472025,0.0856846075,0.0856846075,0.0856846075,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Zr,4.0,A3B_tI8_139_ad_b:Ho-Zr +mp-981545,Ho3Zr,-5.48918167,0.08455014,0.08455014,0.08455014,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Zr,4.0,A3B_cP4_221_c_a:Ho-Zr +mp-1184885,HoZr,-6.475124355,0.089930395,0.089930395,0.089930395,GGA,P-6m2,AB_hP2_187_a_d:Ho-Zr,2.0,AB_hP2_187_a_d:Ho-Zr +mp-1184822,HoZrRu2,-8.440083215,-0.52035457,0.0,-0.0127764568,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Zr +mp-1097315,Zr2OsPd,-5.4073133325,2.9683492925,3.5596954138,3.5596954138,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Pd-Zr,4.0,ABC2_oI8_71_a_b_e:Os-Pd-Zr +mp-1072041,GdCu4Au,-5.942776935,-0.318305115,0.0,-0.0265849083,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-Gd,6.0,AB4C_cF24_216_a_e_c:Au-Cu-Gd +mp-1184435,Gd2CuAu,-9.39439118,-0.5130578925,0.00698813,0.00698813,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Gd,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Gd +mp-1213855,Ce8Pd24Pb,-6.0849550918,-0.7669392206000001,0.0400461285,0.0400461285,GGA,Pm-3m,A8BC24_cP33_221_g_a_efh:Ce-Pb-Pd,33.0,A8BC24_cP33_221_g_a_efh:Ce-Pb-Pd +mp-21443,Ce2Pd2Pb,-5.926443119,-0.738725319,0.0,-0.1206257993,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Ce-Pb-Pd +mp-1076964,GdTe2,-8.2878142183,-1.5002362094,0.0,-0.0904744411,GGA,P4/nmm,AB2_tP6_129_c_ac:Gd-Te,6.0,AB2_tP6_129_c_ac:Gd-Te +mp-1184509,GdTe,-10.209396895,-1.5996828283,0.022944575,-0.18992106,GGA,P-6m2,AB_hP2_187_a_d:Gd-Te,2.0,AB_hP2_187_a_d:Gd-Te +mp-574283,GdTe,-10.23234147,-1.6226274033,0.0,-0.212865635,GGA,Fm-3m,AB_cF8_225_a_b:Gd-Te,2.0,AB_cF8_225_a_b:Gd-Te +mp-1188567,Gd(Tl3Te2)3,-4.0234095462,-0.6359254262,0.0171753559,0.0171753559,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Gd-Te-Tl,16.0,AB6C9_tI32_87_a_eh_bi:Gd-Te-Tl +mp-1105966,Gd2Te3,-9.208146554,-1.691714122,0.0,-0.142521435,GGA,Pnma,A2B3_oP20_62_2c_3c:Gd-Te,20.0,A2B3_oP20_62_2c_3c:Gd-Te +mp-1065609,GdTlTe2,-6.971109935,-1.2897656417,0.0,-0.0671146295,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Gd-Te-Tl +mp-865358,DySnRu2,-7.1488198475,-0.3575289038,0.0006420967,0.0006420967,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Sn +mp-1096605,GaFeRu2,-4.3934396,3.1182909781,3.27646687,3.2733090194,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Ga-Ru,4.0,ABC2_oI8_71_a_b_e:Fe-Ga-Ru +mp-1184055,GaFeRu2,-7.66990647,-0.1581758919,0.0,-0.0031578506,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ga-Ru,4.0,ABC2_cF16_225_a_b_c:Fe-Ga-Ru +mp-11078,BaIn2Rh,-4.15827788,-0.4616153125,0.0,-0.0446341137,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ba-In-Rh,8.0,AB2C_oC16_63_c_f_c:Ba-In-Rh +mp-1214412,Ba4Rh,-2.964438223,0.043603303,0.0708682745,0.0708682745,GGA,Fd-3m,A4B_cF40_227_e_a:Ba-Rh,10.0,A4B_cF40_227_e_a:Ba-Rh +mp-568430,BaRh2,-5.6400801317,-0.0908832383,0.0,-0.0908832383,GGA,Fd-3m,AB2_cF24_227_a_d:Ba-Rh,6.0,AB2_cF24_227_a_d:Ba-Rh +mp-639160,Gd2InGe2,-8.752829131,-0.7228323470000001,0.0,-0.037138885,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Gd-Ge-In,10.0,A2B2C_tP10_127_h_g_a:Gd-Ge-In +mp-977437,HoZrOs2,-9.210298655,-0.314087565,0.1047536144,0.1047536144,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Os-Zr,4.0,AB2C_cF16_225_a_c_b:Ho-Os-Zr +mp-1210754,Lu5Ni2Sb,-5.3759140744,-0.5891606744,0.0,-0.0306671153,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Lu-Ni-Sb,16.0,A5B2C_tI32_140_cl_h_a:Lu-Ni-Sb +mp-20185,LuNiSb,-5.7653160367,-0.9552865567,0.0,-0.1842808194,GGA,F-43m,ABC_cF12_216_a_c_b:Lu-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Lu-Ni-Sb +mp-1215707,Zr10CrSb5,-7.8806877619,-0.6447465137,0.0206622034,0.0206622034,GGA,I422,AB5C10_tI32_97_a_bj_ck:Cr-Sb-Zr,16.0,AB5C10_tI32_97_a_bj_ck:Cr-Sb-Zr +mp-1207417,Zr5CrSb2,-8.0994355006,-0.5182413631,0.0234822627,0.0234822627,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Cr-Sb-Zr,16.0,AB2C5_tI32_140_a_h_bk:Cr-Sb-Zr +mp-1195916,Ho2Cr2Co15,-7.1802304779,-0.0699315513,0.0286473048,0.0286473048,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Co-Cr-Ho,38.0,A15B2C2_hP38_194_gjk_f_bc:Co-Cr-Ho +mp-631572,GaReAs,-5.72040162,0.9901789175,1.225190675,1.225190675,GGA,F-43m,ABC_cF12_216_a_c_b:As-Ga-Re,3.0,ABC_cF12_216_a_c_b:As-Ga-Re +mp-1224777,GaRe,-7.62135012,0.1149614838,0.1779922529,0.1779922529,GGA,P-6m2,AB_hP2_187_a_d:Ga-Re,2.0,AB_hP2_187_a_d:Ga-Re +mp-1188393,Ga3Re,-5.4767499669,-0.0945461537,0.0,-0.0945461537,GGA,P4_2/mnm,A3B_tP16_136_cj_f:Ga-Re,16.0,A3B_tP16_136_cj_f:Ga-Re +mp-1184644,Ho2TlIn,-3.95206813,-0.3822819758,0.0,-0.006808335,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-In-Tl,4.0,A2BC_cF16_225_c_a_b:Ho-In-Tl +mp-1188159,Zr5CuBi3,-6.8951846533,-0.41083163,0.0,-0.0745224264,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Zr,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-Zr +mp-569792,CuBi,-3.8844279525,0.0854199475,0.0854199475,0.0854199475,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Cu,4.0,AB_hP4_194_c_a:Bi-Cu +mp-1078729,Zr6CuBi2,-7.3100867889,-0.3027102656,0.0,-0.0139200533,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Cu-Zr,9.0,A2BC6_hP9_189_c_b_fg:Bi-Cu-Zr +mp-1189356,LuAgSe2,-5.0005766913,-1.4142443216,0.00263126,0.00263126,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Ag-Lu-Se,16.0,ABC2_oP16_19_a_a_2a:Ag-Lu-Se +mp-11974,TmSnRh,-6.1886053822,-0.9053669994,0.0,-0.1250052722,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Tm,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-Tm +mp-865252,TmSnRh2,-6.64082604,-0.8373202854,0.0,-0.0952513389,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Tm,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Tm +mp-862619,LiErIn2,-3.35987641,-0.3648741258,0.0038811191,0.0038811191,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Li,4.0,AB2C_cF16_225_a_c_b:Er-In-Li +mp-865579,Li2ErIn,-3.0536814675,-0.2693693992,0.0,-0.0076740871,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-In-Li,4.0,ABC2_cF16_225_a_b_c:Er-In-Li +mp-976743,LiEr2In,-3.69995803,-0.2509469758,0.0122822469,0.0122822469,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-In-Li,4.0,A2BC_cF16_225_c_a_b:Er-In-Li +mp-1096643,LiTl2Pd,-1.9949762425,0.9585465,1.2183507879,1.2183507879,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pd-Tl,4.0,ABC2_oI8_71_a_b_e:Li-Pd-Tl +mp-1185239,LiTl2Pd,-3.19840702,-0.2448842775,0.0149200104,0.0149200104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Pd-Tl +mp-865863,Li2TlPd,-3.198942345,-0.3588496725,0.0,-0.0252012225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pd-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Pd-Tl +mp-12716,LiTlPd2,-4.062646155,-0.4048137467,0.0,-0.090865326,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Li-Pd-Tl,4.0,AB2C_tI8_139_a_d_b:Li-Pd-Tl +mp-1210196,Nb2GeAs2,-6.363473736,0.465301213,1.006497309,1.006497309,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Ge-Nb,5.0,A2BC2_tP5_123_g_a_g:As-Ge-Nb +mp-1018812,NbGeAs,-6.9055072533,-0.44435682,0.0066399267,0.0066399267,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Ge-Nb,6.0,ABC_tP6_129_c_a_c:As-Ge-Nb +mp-1185606,La3Ho,-4.8148456475,0.0327618987,0.0327618987,0.0327618987,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-La,4.0,AB3_tI8_139_a_bd:Ho-La +mp-973091,LaHoMg2,-3.2618025475,-0.0820585287,0.0117500113,0.0117500113,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-La-Mg,4.0,ABC2_cF16_225_a_b_c:Ho-La-Mg +mp-1184310,Eu2ZnGa,-6.5801244125,-0.3796636044,0.0,-0.0049928983,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Ga-Zn +mp-1225196,EuZnGa,-5.3037159233,-0.4554354458,0.0,-0.019531295,GGA,C2/m,ABC_mC12_12_i_i_i:Eu-Ga-Zn,6.0,ABC_mC12_12_i_i_i:Eu-Ga-Zn +mp-1225416,Eu(ZnGa)2,-4.157096882,-0.390560669,0.0,-0.0082143837,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ga-Zn,5.0,AB2C2_tI10_139_a_d_e:Eu-Ga-Zn +mp-16341,Li2HgGe,-2.4612039425,-0.2750654542,0.0522369806,0.0522369806,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hg-Li,4.0,ABC2_cF16_225_a_b_c:Ge-Hg-Li +mp-867836,LaZnAu2,-3.7809572275,-0.5950785488,0.0382385734,0.0382385734,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Zn,4.0,A2BC_cF16_225_c_a_b:Au-La-Zn +mp-975650,Pr2ZnHg,-3.1531985475,-0.3718896763,0.018418675,0.018418675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pr-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Pr-Zn +mp-865431,YbZnAu2,-2.966173225,-0.6293942525,0.0059175673,0.0059175673,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Yb-Zn,,A2BC_cF16_225_c_a_b:Au-Yb-Zn +mp-13027,YbZnAu,-2.7481039292,-0.7236926325,0.0,-0.0602119055,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Yb-Zn,,ABC_oP12_62_c_c_c:Au-Yb-Zn +mp-11533,ZrZnNi4,-5.9016165133000005,-0.41361802,0.0,-0.0229908258,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Zn-Zr,6.0,A4BC_cF24_216_e_a_c:Ni-Zn-Zr +mp-1195444,Zr(Zn10Ni)2,-2.1523888574,-0.1826998926,0.0,-0.0229737556,GGA,Fd-3m,A2B20C_cF184_227_d_cfg_a:Ni-Zn-Zr,46.0,A2B20C_cF184_227_d_cfg_a:Ni-Zn-Zr +mp-1100781,ZrZnNi2,-5.73470529,-0.39277589,0.0094480213,0.0094480213,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Ni-Zn-Zr +mp-568402,Sr(SiPd)2,-5.29916917,-0.7191905433,0.0,-0.0574201958,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Sr +mp-1218917,Sr(SiPd)6,-5.6208062073,-0.596137554,0.0,-0.0097420065,GGA,Ibam,A6B6C_oI52_72_jk_jk_a:Pd-Si-Sr,26.0,A6B6C_oI52_72_jk_jk_a:Pd-Si-Sr +mp-8843,SrSiPd,-4.8311036383,-0.7328725406000001,0.0,-0.1027110833,GGA,P2_13,ABC_cP12_198_a_a_a:Pd-Si-Sr,12.0,ABC_cP12_198_a_a_a:Pd-Si-Sr +mp-20330,Mn3SiIr,-8.57337305,-0.2234134328,0.1209050251,0.1209050251,GGA,P2_13,AB3C_cP20_198_a_b_a:Ir-Mn-Si,20.0,AB3C_cP20_198_a_b_a:Ir-Mn-Si +mp-21851,MnSiIr,-8.3522767608,-0.5436875935000001,0.0,-0.0721713996,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Mn-Si,12.0,ABC_oP12_62_c_c_c:Ir-Mn-Si +mp-1184510,GdLuRu2,-9.6405236575,-0.3540541975,0.0,-0.0233979175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Lu-Ru,4.0,ABC2_cF16_225_a_b_c:Gd-Lu-Ru +mp-1096402,In2IrRh,-3.26989015,2.1566372275,2.4242282134,2.4242282134,GGA,Immm,A2BC_oI8_71_e_a_b:In-Ir-Rh,4.0,A2BC_oI8_71_e_a_b:In-Ir-Rh +mp-1192912,La3RuBr3,-5.7316706154,-1.6257407804,0.0,-0.0880319347,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-La-Ru,28.0,A3B3C_cI56_214_h_g_a:Br-La-Ru +mp-865845,Yb2CuIr,-4.42830648,-0.4240921275,0.0,-0.0137929752,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Yb,,ABC2_cF16_225_a_b_c:Cu-Ir-Yb +mp-864759,LiYb2Ir,-3.8182440075,-0.3616006058,0.0,-0.0549374283,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Yb,,ABC2_cF16_225_a_b_c:Ir-Li-Yb +mp-1183229,AgIr,-5.478751535,0.3567435567,0.3567435567,0.3567435567,GGA,P-6m2,AB_hP2_187_a_d:Ag-Ir,2.0,AB_hP2_187_a_d:Ag-Ir +mp-979270,Tb2AgIr,-5.82886759,-0.5939369942,0.0220651568,0.0220651568,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Tb,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Tb +mp-1097084,Fe2IrRh,-4.993582475,3.2921136425,3.3384934458,3.3384934458,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Ir-Rh,4.0,A2BC_oI8_71_e_a_b:Fe-Ir-Rh +mp-975222,RbSr3,-1.37553746,0.1367161481,0.1367161481,0.1367161481,GGA,I4/mmm,AB3_tI8_139_a_bd:Rb-Sr,4.0,AB3_tI8_139_a_bd:Rb-Sr +mp-975199,RbSr3,-1.37575276,0.1365008481,0.1365008481,0.1365008481,GGA,Pm-3m,AB3_cP4_221_a_c:Rb-Sr,4.0,AB3_cP4_221_a_c:Rb-Sr +mp-975219,RbSr3,-1.37195527,0.1402983381,0.1402983381,0.1402983381,GGA,Fm-3m,AB3_cF16_225_a_bc:Rb-Sr,4.0,AB3_cF16_225_a_bc:Rb-Sr +mp-1209189,RbSr2Br5,-3.9624525109,-2.4468696823,0.0,-0.0084351797,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-Rb-Sr,32.0,A5BC2_mP32_14_5e_e_2e:Br-Rb-Sr +mp-1186879,Rb3Sr,-1.0084207525,0.1493531652,0.1493531652,0.1493531652,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Sr,4.0,A3B_tI8_139_ad_b:Rb-Sr +mp-974799,Rb3Sr,-1.02167381,0.1361001077,0.1361001077,0.1361001077,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Sr,4.0,A3B_cP4_221_c_a:Rb-Sr +mp-1186873,Rb3Sr,-1.0225652375,0.1352086802,0.1352086802,0.1352086802,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Sr,4.0,A3B_cF16_225_ac_b:Rb-Sr +mp-1189005,Tb6NiBr10,-4.8353325753,-1.9461198353,0.0,-0.0737973592,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Ni-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Br-Ni-Tb +mp-1105392,Ce3Bi4Pt3,-6.0170381615,-0.8795757670000001,0.0,-0.0242453575,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Ce-Pt,20.0,A4B3C3_cI40_220_c_a_b:Bi-Ce-Pt +mp-1018162,CeBiPt,-6.2319376567,-0.9503671217,0.0,-0.0356412609,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ce-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Ce-Pt +mp-1095943,AgSbPd2,-2.7123864475,1.6179437683,1.9740794396,1.9740794396,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Sb,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Sb +mp-1097087,HfCdAu2,-2.8518633575,1.50509734,1.9256301675,1.9256301675,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Hf,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Hf +mp-1018156,Hf2Cd,-7.0068494133,-0.0610934733,0.0,-0.014849705,GGA,I4/mmm,AB2_tI6_139_a_e:Cd-Hf,3.0,AB2_tI6_139_a_e:Cd-Hf +mp-1206672,HfCd,-4.79048776,0.649551635,0.7189172875000001,0.69537174,GGA,P4/mmm,AB_tP4_123_g_g:Cd-Hf,4.0,AB_tP4_123_g_g:Cd-Hf +mp-1007758,HfCd,-5.5094050475,-0.0693656525,0.0,-0.0235455475,GGA,P4/nmm,AB_tP4_129_c_c:Cd-Hf,4.0,AB_tP4_129_c_c:Cd-Hf +mp-1185285,LiAcHg2,-2.0745005025,-0.4151358515,0.0,-0.0894586858,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Li +mp-862912,PmHgAu2,-3.490341375,-0.5898447031,0.0,-0.0267660367,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Hg-Pm +mp-865228,LiScPt2,-6.0582186325,-0.9623039796,0.0,-0.0387300256,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Sc +mp-865444,LiSc2Pt,-5.895551785,-0.7343031858,0.0,-0.0018541321,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Li-Pt-Sc +mp-1200971,Sc2Nb3Ge4,-7.544608515,-0.7156124317,0.0,-0.0875545124,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Sc,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Sc +mp-1209275,Sc2Nb3Ge4,-7.3880725578,-0.5590764744,0.1565359572,0.0689814449,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Sc,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Sc +mp-1219488,Sc2(NbGe)3,-7.74221504,-0.6374729281,0.0005598874,0.0005598874,GGA,Amm2,A3B3C2_oC32_38_abde_df_abe:Ge-Nb-Sc,16.0,A3B3C2_oC32_38_abde_df_abe:Ge-Nb-Sc +mp-973229,ScNb,-8.03046612,0.1864209525,0.1864209525,0.1864209525,GGA,P-6m2,AB_hP2_187_a_d:Nb-Sc,2.0,AB_hP2_187_a_d:Nb-Sc +mp-1186972,Sc3Nb,-7.174942535,0.0997355538,0.0997355538,0.0997355538,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Sc,4.0,AB3_tI8_139_a_bd:Nb-Sc +mp-865461,LuZrCo2,-7.1159172625,-0.2945955775,0.0,-0.0150618161,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Lu-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Lu-Zr +mp-1079085,LuInPd,-4.9521106111,-0.8012719244000001,0.0,-0.0326988194,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Lu-Pd,9.0,ABC_hP9_189_f_g_bc:In-Lu-Pd +mp-12129,LuInPd2,-5.26818475,-0.8600852825,0.0,-0.060309386,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:In-Lu-Pd +mp-1211130,LuIn2Pd,-4.4194012325,-0.618351285,0.0,-0.0046333815,GGA,I4mm,A2BC_tI80_107_c2de_2acd_bcd:In-Lu-Pd,40.0,A2BC_tI80_107_c2de_2acd_bcd:In-Lu-Pd +mp-12691,Lu2InPd2,-5.319420239,-0.888750561,0.0,-0.0182643483,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Lu-Pd,10.0,AB2C2_tP10_127_a_h_g:In-Lu-Pd +mp-1192497,Lu5(In2Pd)2,-4.6762614873,-0.67887502,0.0,-0.0648857295,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:In-Lu-Pd,22.0,A4B5C2_oP22_55_2g_b2h_g:In-Lu-Pd +mp-1097670,CdPd2Au,-2.0472481475,1.5918856975,1.8883051475,1.8443841783,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cd-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Cd-Pd +mp-1183633,CdPd2Au,-3.935553295,-0.29641945,0.0,-0.0439209692,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cd-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Cd-Pd +mp-1096217,CdPdAu2,-1.9075912175,1.255042675,1.4683223725,1.4683223725,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Pd,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Pd +mp-7173,ScSbPt,-6.74503989,-1.2341720017,0.0,-0.2786862565,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sb-Sc,3.0,ABC_cF12_216_c_a_b:Pt-Sb-Sc +mp-984660,Dy2InHg,-3.5318163975,-0.4645819538,0.003109635,0.003109635,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Hg-In,4.0,A2BC_cF16_225_c_a_b:Dy-Hg-In +mp-22115,TbSbRh,-6.44672333,-1.0708315933,0.0,-0.1062242867,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Sb-Tb,12.0,ABC_oP12_62_c_c_c:Rh-Sb-Tb +mp-1105882,Tb4Sb6Rh7,-6.4650164135,-0.8849207118,0.0156359524,0.0156359524,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Rh-Sb-Tb,17.0,A7B6C4_cI34_229_ad_e_c:Rh-Sb-Tb +mp-1209989,Nd4CdPt,-4.8803286204,-0.5358931521,0.0,-0.0068738124,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Nd-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Nd-Pt +mp-1210477,Nd23Cd4Pt7,-5.1813238365,-0.5972978592,0.0,-0.0018543162,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Pt,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Pt +mp-1206818,Dy2MgPd2,-5.015326603,-0.7806031330000001,0.0,-0.0064254737,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-Mg-Pd,10.0,A2BC2_tP10_127_h_a_g:Dy-Mg-Pd +mp-1078639,DyMgPd,-4.4889267789,-0.6932772122,0.0,-0.0388356503,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:Dy-Mg-Pd +mp-1223084,LaGa2Pt3,-5.7897257,-0.9221258483,0.0,-0.077695954,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Ga-La-Pt,6.0,A2BC3_hP6_191_c_a_g:Ga-La-Pt +mp-1095587,LaGaPt,-5.72008037,-1.0416682208,0.0,-0.1002987989,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-La-Pt,12.0,ABC_oP12_62_c_c_c:Ga-La-Pt +mp-1222794,LaGa3Pt,-4.766798436,-0.7485127375,0.0,-0.0263268687,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-La-Pt,5.0,A3BC_tI10_119_af_c_b:Ga-La-Pt +mp-1209547,PrAsSe,-5.9225356192,-1.6105570733,0.0,-0.0742415126,GGA,Pnma,ABC_oP12_62_c_c_c:As-Pr-Se,12.0,ABC_oP12_62_c_c_c:As-Pr-Se +mp-1072185,PrAsSe,-5.8904205033,-1.5784419574,0.0321151158,-0.0421263968,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Pr-Se,6.0,ABC_tP6_129_a_c_c:As-Pr-Se +mp-570205,PrSe2,-5.8698803817,-1.9456374782,0.0,-0.0185853727,GGA,P2_1/c,AB2_mP12_14_e_2e:Pr-Se,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_6e:Pr-Se, expected PrSe6 to be PrSe2" +mp-1190410,PrSe2,-5.8587686329,-1.9345257295,0.0111117487,-0.007473624,GGA,P-4b2,AB2_tP24_117_i_acgi:Pr-Se,24.0,AB2_tP24_117_i_acgi:Pr-Se +mp-1018940,PrSe2,-5.8476227583,-1.9233798549,0.0222576233,0.0036722506,GGA,P4/nmm,AB2_tP6_129_c_ac:Pr-Se,6.0,AB2_tP6_129_c_ac:Pr-Se +mp-1674,PrSe,-6.21078314,-2.0723745237,0.0,-0.2106053312,GGA,Fm-3m,AB_cF8_225_a_b:Pr-Se,2.0,AB_cF8_225_a_b:Pr-Se +mp-684619,Pr27Se40,-6.1853444713,-2.1715994789,0.0,-0.0055727928,GGA,P1,A27B40_aP67_1_27a_40a:Pr-Se,67.0,A27B40_aP67_1_27a_40a:Pr-Se +mp-32689,Pr2Se3,-6.1788174798,-2.1689082912,0.0,-0.0064500896,GGA,I-42d,A2B3_tI80_122_cde_3e:Pr-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Pr-Se, expected Pr9Se16 to be Pr2Se3" +mp-722,Pr3Se4,-6.1743595307,-2.1277362199,0.0176940401,0.0176940401,GGA,I-43d,A3B4_cI28_220_a_c:Pr-Se,14.0,A3B4_cI28_220_a_c:Pr-Se +mp-14613,Pr10Se19,-5.9325151307,-1.9935021781,0.0,-0.0093697321,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Pr-Se,58.0,A10B19_tP58_86_e2g_ae4g:Pr-Se +mp-1226035,CoSbSe,-5.3564181067,-0.4453412691,0.0212477556,0.0212477556,GGA,P2/m,ABC_mP6_10_ce_m_n:Co-Sb-Se,6.0,ABC_mP6_10_ae_m_n:Co-Sb-Se +mp-1096753,Ca2HgAu,-1.18194285,0.7152476813,1.39661144,1.39661144,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-Hg,4.0,AB2C_oI8_71_a_e_b:Au-Ca-Hg +mp-1093882,CaHgAu2,-1.795928385,0.4183326763,0.9518596,0.9518596,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Hg,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Hg +mp-1096736,Zr2AlTc,-4.627643965,3.1727600438,3.5627067651,3.5627067651,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Al-Tc-Zr +mp-1096663,ZrAlTc2,-5.016324925,3.2373136625,3.6336798811,3.6336798811,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Tc-Zr,4.0,AB2C_oI8_71_a_e_b:Al-Tc-Zr +mp-862445,TaAlOs2,-10.066109365,-0.551587285,0.0,-0.2017756771,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Os-Ta +mp-1206914,ZnTe2,-2.8477854267,-0.3323336278,0.1237750611,0.1237750611,GGA,P-3m1,A2B_hP3_164_d_a:Te-Zn,3.0,A2B_hP3_164_d_a:Te-Zn +mp-541441,ZnTe,-2.6200613375,-0.4185365858,0.2656264475,-0.169286365,GGA,Cmcm,AB_oC8_63_c_c:Te-Zn,4.0,AB_oC8_63_c_c:Te-Zn +mp-571195,ZnTe,-2.8819986567,-0.680473905,0.0036891283,-0.4312236842,GGA,P3_1,AB_hP6_144_a_a:Te-Zn,6.0,AB_hP6_144_a_a:Te-Zn +mp-1071319,ZnTe,-2.734078865,-0.5325541133,0.15160892,-0.2833038925,GGA,P3_121,AB_hP6_152_a_b:Te-Zn,6.0,AB_hP6_152_a_b:Te-Zn +mp-9281,ZnTe,-2.7355610133,-0.5340362617000001,0.1501267717,-0.2847860408,GGA,P6_422,AB_hP6_181_c_d:Te-Zn,6.0,AB_hP6_181_c_d:Te-Zn +mp-8884,ZnTe,-2.8804360275,-0.6789112758,0.0052517575,-0.429661055,GGA,P6_3mc,AB_hP4_186_b_b:Te-Zn,4.0,AB_hP4_186_b_b:Te-Zn +mp-2176,ZnTe,-2.885687785,-0.6841630333000001,0.0,-0.4349128125,GGA,F-43m,AB_cF8_216_a_c:Te-Zn,2.0,AB_cF8_216_a_c:Te-Zn +mp-948,ZnTe,-2.5971357,-0.3956109483,0.288552085,-0.1463607275,GGA,Fm-3m,AB_cF8_225_a_b:Te-Zn,2.0,AB_cF8_225_a_b:Te-Zn +mp-7908,Al2ZnTe4,-3.7512406757,-0.7049379838000001,0.0,-0.0062501291,GGA,I-4,A2B4C_tI14_82_ac_g_b:Al-Te-Zn,7.0,A2B4C_tI14_82_ac_g_b:Al-Te-Zn +mp-1093793,Ti2BeTc,-4.27437053,3.1983884308,3.519340234,3.519340234,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Tc-Ti,4.0,ABC2_oI8_71_a_b_e:Be-Tc-Ti +mp-1187423,Ti2BeTc,-7.7782782875,-0.3055193267,0.0154324765,0.0154324765,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Be-Tc-Ti +mp-1184331,ErPa3,-8.105075145,0.1728530525,0.1728530525,0.1728530525,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pa,4.0,AB3_cP4_221_a_c:Er-Pa +mp-1184323,ErPaOs2,-9.3818480875,-0.247568505,0.0131144494,0.0131144494,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Os-Pa,4.0,AB2C_cF16_225_a_c_b:Er-Os-Pa +mp-862378,Sc2TcAu,-7.082152625,-0.5072878362000001,0.0531001128,0.0531001128,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Au-Sc-Tc +mp-1187278,Tb3Dy,-4.60696535,0.020505935,0.020505935,0.020505935,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-Tb,4.0,AB3_tI8_139_a_bd:Dy-Tb +mp-1187334,TbDyIn2,-4.14887986,-0.46274976,0.0,-0.0302789427,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Tb,4.0,AB2C_cF16_225_a_c_b:Dy-In-Tb +mp-1187408,Th3Cl,-6.1117811375,-0.089253285,0.7400310459,0.7400310459,GGA,I4/mmm,AB3_tI8_139_a_bd:Cl-Th,4.0,AB3_tI8_139_a_bd:Cl-Th +mp-567431,ThCl4,-5.615310837,-2.653709859,0.0,-2.152927889,GGA,I4_1/a,A4B_tI20_88_f_a:Cl-Th,10.0,A4B_tI20_88_f_a:Cl-Th +mp-23215,ThCl4,-5.60705056,-2.645449582,0.008260277,-2.144667612,GGA,I4_1/amd,A4B_tI20_141_h_a:Cl-Th,10.0,A4B_tI20_141_h_a:Cl-Th +mp-1173190,Sr9ThCl22,-4.7226701047,-2.7449480469000003,0.1120146592,0.1120146592,GGA,Cmmm,A22B9C_oC64_65_acm2r_b2g2h_d:Cl-Sr-Th,32.0,"Invalid WP multiplicities - A22B9C_oC64_65_ac4m11r_b4g4h_d:Cl-Sr-Th, expected Sr17ThCl106 to be Sr9ThCl22" +mp-1187440,ThCl,-5.88315238,-1.251954925,0.4066137369,0.4066137369,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Th,4.0,AB_hP4_186_b_b:Cl-Th +mp-676727,Sr18ThCl40,-4.7096718427,-2.8153293544,0.0588581692,0.0588581692,GGA,R-3m,A40B18C_hR177_166_20c_9c_a:Cl-Sr-Th,59.0,"Invalid WP multiplicities - A40B18C_hR177_166_39c_17c_a:Cl-Sr-Th, expected Sr34ThCl78 to be Sr18ThCl40" +mp-1208012,Tm4CdIr,-5.1543257763,-0.5435481707,0.0,-0.0177096458,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Tm,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Tm +mp-1184253,ErTmAg2,-4.0196871875,-0.3425206275,0.006416205,0.006416205,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Er-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Er-Tm +mp-1225713,Gd(Co5Mo)2,-8.2444493723,-0.0251724177,0.0485263573,0.0485263573,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Co-Gd-Mo,13.0,A10BC2_oI26_71_efhk_a_g:Co-Gd-Mo +mp-1225806,Gd4Co3,-11.2249127481,-0.1349924131,0.0,-0.0919968538,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Gd,21.0,A3B4_hP21_147_adg_2g:Co-Gd +mp-542633,GdCo2,-7.8989088667,1.53201041,1.6439016046,1.6439016046,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Gd,6.0,A2B_cF24_227_c_b:Co-Gd +mp-1077071,GdCo5,-8.3424724833,-0.0728539475,0.0228663941,0.0228663941,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Gd,6.0,A5B_hP6_191_cg_a:Co-Gd +mp-1201816,Gd2Co17,-7.931533553399999,-0.0897626589,0.0,-0.0437496395,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Gd,38.0,A17B2_hP38_194_fgjk_bc:Co-Gd +mp-22181,Gd(GePd)2,-7.545790154,-0.80940184,0.0,-0.1432741933,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-Ge-Pd,5.0,AB2C2_tI10_139_a_e_d:Gd-Ge-Pd +mp-1025134,HoCu4Pd,-4.7271261533,-0.36727326,0.0,-0.0338477094,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Ho-Pd,6.0,A4BC_cF24_216_e_a_c:Cu-Ho-Pd +mp-983410,Ho2CuPd,-5.200344285,-0.58936773,0.0155856675,0.0155856675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Pd,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Pd +mp-1093886,Ta2MnRu,-6.48922152,4.048771753,4.3100117478,4.3100117478,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Ru-Ta,4.0,ABC2_oI8_71_a_b_e:Mn-Ru-Ta +mp-867811,TaMnRu2,-10.152655605,-0.2605061045,0.0,-0.0658717784,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Mn-Ru-Ta +mp-1210342,Th3In13Ni4,-4.3270777,-0.270377202,0.0064706683,0.0064706683,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:In-Ni-Th,40.0,A13B4C3_cP40_223_ak_e_c:In-Ni-Th +mp-1078804,ThInNi,-5.7907859233,-0.4755597033,0.0,-0.0827786435,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Th,9.0,ABC_hP9_189_f_bc_g:In-Ni-Th +mp-1202421,Nd6CdFe13,-7.001376814,-0.0192743097,0.0125704411,0.0125704411,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Cd-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Cd-Fe-Nd +mp-581734,Gd2Fe17,-9.0655186958,-0.0053815879,0.0191568837,0.0191568837,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Gd,19.0,"Invalid WP multiplicities - A17B2_hR57_166_2c3d4f5h_c:Fe-Gd, expected Gd2Fe67 to be Gd2Fe17" +mp-1196805,Gd2Fe17,-9.0658538982,-0.0057167903,0.0188216813,0.0188216813,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Gd,38.0,A17B2_hP38_194_fgjk_bc:Fe-Gd +mp-1181137,GdFe5,-9.4432239617,-0.03885258,0.0,-0.0335281185,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Gd,6.0,A5B_hP6_191_cg_a:Fe-Gd +mp-1194558,Gd6Fe23,-8.3938943676,1.2360098141,1.2729867523,1.2729867523,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Gd,29.0,A23B6_cF116_225_ad2f_e:Fe-Gd +mp-1212901,Gd(Ga2Fe)4,-5.8362537985,-0.2838710862,0.0267170444,0.0267170444,GGA,I4/mmm,A4B8C_tI26_139_f_ij_a:Fe-Ga-Gd,13.0,A4B8C_tI26_139_f_ij_a:Fe-Ga-Gd +mp-20089,GdFe2,-10.3224874633,0.01623409,0.047316154,0.047316154,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Gd,6.0,A2B_cF24_227_c_b:Fe-Gd +mp-1225497,Gd(GaFe)6,-6.5229157315,-0.1333137596,0.1456037488,0.1456037488,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Gd,13.0,A6B6C_oF52_69_dm_em_a:Fe-Ga-Gd +mp-1226294,Cr3Os,-9.85259593,0.19403153,0.19403153,0.19403153,GGA,Cmmm,A3B_oC8_65_bk_c:Cr-Os,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Cr-Os, expected Cr5Os to be Cr3Os" +mp-416,Cr3Os,-10.02075622,0.02587124,0.02587124,0.02587124,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Os,8.0,A3B_cP8_223_c_a:Cr-Os +mp-1096196,Nb2CrOs,-6.21212597,4.058630275,4.2390165428,4.2390165428,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Nb-Os,4.0,AB2C_oI8_71_a_e_b:Cr-Nb-Os +mp-1186203,Nb2CrOs,-10.433751625,-0.16299538,0.0173908878,0.0173908878,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Nb-Os,4.0,AB2C_cF16_225_a_c_b:Cr-Nb-Os +mp-1187167,SmEu3,-8.807702710000001,0.0646951738,0.0646951738,0.0646951738,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Sm,8.0,A3B_hP8_194_h_c:Eu-Sm +mp-1173299,Sm2EuSe4,-7.0097085079,-2.1985913678,0.0036959932,0.0036959932,GGA,I-42d,AB4C2_tI28_122_a_e_d:Eu-Se-Sm,14.0,AB4C2_tI28_122_a_e_d:Eu-Se-Sm +mp-1186714,Sm3Eu,-6.0269317875,0.0762582637,0.0762582637,0.0762582637,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Sm,8.0,AB3_hP8_194_c_h:Eu-Sm +mp-1187053,Sm3Eu,-6.035924315,0.0672657362,0.0672657362,0.0672657362,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Sm,4.0,AB3_cP4_221_a_c:Eu-Sm +mp-1219049,SmEuSe2,-7.6599727325,-2.1681200099,0.0,-0.005842615,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-Se-Sm,4.0,AB2C_hR12_166_a_c_b:Eu-Se-Sm +mp-1223942,HoGaAu,-4.4160364217,-0.7879074575,0.0,-0.0367542217,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ga-Ho,6.0,ABC_mC12_12_i_i_i:Au-Ga-Ho +mp-1187938,YbAgAu2,-3.3240686175,-0.5940865467,0.0143364758,0.0143364758,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Yb,,AB2C_cF16_225_a_c_b:Ag-Au-Yb +mp-1187879,Yb2AgAu,-2.9843803875,-0.6879667467,0.0,-0.0023977825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Yb,,ABC2_cF16_225_a_b_c:Ag-Au-Yb +mp-864775,HoAgHg2,-2.33492297,-0.3293415692,0.0,-0.0154054005,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Ho,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Ho +mp-1184691,Ho2AgHg,-3.4841093825,-0.4088458554,0.004439395,0.004439395,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Ho,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Ho +mp-1184608,Hg3Pt,-1.56562921,0.1799143938,0.2681942913,0.2681942913,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Pt,4.0,A3B_tI8_139_ad_b:Hg-Pt +mp-1184551,Hg3Pt,-1.536963615,0.2085799888,0.2968598863,0.2968598863,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Pt,4.0,A3B_cP4_221_c_a:Hg-Pt +mp-1224002,HgPt4,-4.817153264,0.100489465,0.124030771,0.124030771,GGA,R-3m,AB4_hR15_166_a_2c:Hg-Pt,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Hg-Pt, expected HgPt6 to be HgPt4" +mp-1093641,Li2HgPt,-1.650161605,0.8980032496,1.388626855,1.388626855,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Pt,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Pt +mp-1066522,HgPt3,-4.5781394325,0.0511306488,0.0805572812,0.0805572812,GGA,Cmmm,AB3_oC8_65_a_bf:Hg-Pt,4.0,AB3_oC8_65_a_bf:Hg-Pt +mp-1224016,HgPt3,-4.5569361625,0.0723339188,0.1017605512,0.1017605512,GGA,P4/mmm,AB3_tP4_123_a_bh:Hg-Pt,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2h:Hg-Pt, expected HgPt5 to be HgPt3" +mp-1007690,HgPt3,-4.5557007575,0.0735693238,0.1029959563,0.1029959563,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Pt,4.0,AB3_cP4_221_a_c:Hg-Pt +mp-1093623,LiHg2Pt,-1.2570742675,0.8897799617000001,1.193856325,1.193856325,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Pt,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Pt +mp-936,Hg4Pt,-1.55133618,-0.094165224,0.0,-0.059485962,GGA,Im-3m,A4B_cI10_229_c_a:Hg-Pt,5.0,A4B_cI10_229_c_a:Hg-Pt +mp-11470,Hg2Pt,-2.2839634533,-0.05779877,0.02067225,0.02067225,GGA,P4/mmm,A2B_tP3_123_e_a:Hg-Pt,3.0,A2B_tP3_123_e_a:Hg-Pt +mp-623,HgPt,-3.13054587,0.0568609725,0.1157142375,0.1157142375,GGA,P4/mmm,AB_tP2_123_a_d:Hg-Pt,2.0,AB_tP2_123_a_d:Hg-Pt +mp-20347,NdSnPt,-5.9841947108,-1.034577175,0.0106703314,-0.1872314942,GGA,Pnma,ABC_oP12_62_c_c_c:Nd-Pt-Sn,12.0,ABC_oP12_62_c_c_c:Nd-Pt-Sn +mp-21111,NdSnPt,-5.9948650422,-1.0452475064,0.0,-0.1979018256,GGA,P-62m,ABC_hP9_189_f_ad_g:Nd-Pt-Sn,9.0,ABC_hP9_189_f_ad_g:Nd-Pt-Sn +mp-1096007,HfMgPt2,-4.392821865,1.5321120650000002,2.53956719,2.5007224386,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Hf-Mg-Pt +mp-1184572,HfMgPt2,-6.932389055,-1.007455125,0.0,-0.0388447514,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Mg-Pt,4.0,ABC2_cF16_225_a_b_c:Hf-Mg-Pt +mp-1021167,CeMg6Mo,-3.0853285419,0.2122239037,0.2316728249,0.2316728249,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Mo, expected CeMg12Mo to be CeMg6Mo" +mp-1021169,CeMg6Mo,-3.1139167056,0.18363574,0.2030846612,0.2030846612,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ce-Mg-Mo, expected CeMg12Mo to be CeMg6Mo" +mp-1026721,CeMg14Mo,-2.3424574819,0.1064587659,0.1232291823,0.1232291823,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Mo, expected CeMg18Mo to be CeMg14Mo" +mp-1026764,CeMg14Mo,-2.2750531325,0.1738631153,0.1906335316,0.1906335316,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Mo, expected CeMg26Mo to be CeMg14Mo" +mp-457,CeBe13,-4.0474568682,-0.1513528396,0.0,-0.1513528396,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Ce,28.0,"Invalid WP multiplicities - A13B_cF112_226_b2i_a:Be-Ce, expected CeBe25 to be CeBe13" +mp-1226619,CeBeAl3,-4.49561226,-0.313766358,0.0242060021,0.0242060021,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Be-Ce,5.0,A3BC_tI10_107_ab_a_a:Al-Be-Ce +mp-1215683,Zr10(AlSb)3,-7.4271097856,-0.6083136913,0.0,-0.0077043209,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Al-Sb-Zr,16.0,A3B3C10_hP16_189_f_g_fgh:Al-Sb-Zr +mp-1106245,Zr5AlSb3,-7.3168808406,-0.7756494294,0.0,-0.052992724,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Al-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Al-Sb-Zr +mp-1023918,AlSb,-4.0049917475,-0.0677032125,0.1877947075,-0.0677032125,GGA,Cmcm,AB_oC8_63_c_c:Al-Sb,4.0,AB_oC8_63_c_c:Al-Sb +mp-1228806,AlSb,-3.954204985,-0.01691645,0.23858147,-0.01691645,GGA,I-4m2,AB_tI4_119_a_c:Al-Sb,2.0,AB_tI4_119_a_c:Al-Sb +mp-1018100,AlSb,-4.1844925175,-0.2472039825,0.0082939375,-0.2472039825,GGA,P6_3mc,AB_hP4_186_b_b:Al-Sb,4.0,AB_hP4_186_b_b:Al-Sb +mp-15621,AlSb,-4.0757844569,-0.1384959219,0.1170019981,-0.1384959219,GGA,Pa-3,AB_cP16_205_c_c:Al-Sb,16.0,AB_cP16_205_c_c:Al-Sb +mp-2624,AlSb,-4.192786455,-0.25549792,0.0,-0.25549792,GGA,F-43m,AB_cF8_216_a_c:Al-Sb,2.0,AB_cF8_216_a_c:Al-Sb +mp-1194575,Tb3ZnAu5,-4.2991458672,-0.7955623217000001,0.0,-0.0067327032,GGA,Cmcm,A5B3C_oC72_63_g2h_2c2f_2c:Au-Tb-Zn,36.0,A5B3C_oC72_63_g2h_2c2f_2c:Au-Tb-Zn +mp-1096375,Ti2NbIr,-5.38483196,3.2978488533,3.8162586096,3.8162586096,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Nb-Ti,4.0,ABC2_oI8_71_a_b_e:Ir-Nb-Ti +mp-865538,Ti2RePd,-8.8417808575,-0.4879326004,0.0,-0.0155027463,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Pd-Re-Ti +mp-1096074,TiBe2Pt,-2.834877785,2.5264849817,3.116801699,3.116801699,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-Ti,4.0,A2BC_oI8_71_e_a_b:Be-Pt-Ti +mp-1187463,TiBe2Pt,-5.9363884925,-0.5750257258,0.0152909915,0.0152909915,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Pt-Ti,4.0,A2BC_cF16_225_c_a_b:Be-Pt-Ti +mp-1093845,TiBePt2,-4.0263551675,1.9179377129,2.7062617280000003,2.7062617280000003,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Pt-Ti,4.0,AB2C_oI8_71_a_e_b:Be-Pt-Ti +mp-1220247,Sc(TiFe3)2,-8.3752962814,-0.2704540149,0.0097837836,0.0097837836,GGA,P3m1,A6BC2_hP36_156_6c6d_3ab_3a5b:Fe-Sc-Ti,36.0,"Invalid WP multiplicities - A6BC2_hP36_156_6c18d_3ab_3a5b:Fe-Sc-Ti, expected ScTi2Fe15 to be Sc(TiFe3)2" +mp-1096549,SiGe,-4.9711881794,0.0529847631,0.0529847631,0.0529847631,GGA,P2_1,AB_mP32_4_8a_8a:Ge-Si,32.0,AB_mP32_4_15a_15a:Ge-Si +mp-978534,SiGe,-4.9475256275,0.076647315,0.076647315,0.076647315,GGA,P6_3mc,AB_hP4_186_b_b:Ge-Si,4.0,AB_hP4_186_b_b:Ge-Si +mp-1219182,SiGe,-4.96392909,0.0602438525,0.0602438525,0.0602438525,GGA,F-43m,AB_cF8_216_a_c:Ge-Si,2.0,AB_cF8_216_a_c:Ge-Si +mp-972751,Si3Ge,-4.6439428475,0.5808026387,0.5808026387,0.5808026387,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-Si,4.0,AB3_cF16_225_a_bc:Ge-Si +mp-1094056,Si7Ge,-5.25489202,0.0701397381,0.0701397381,0.0701397381,GGA,P-43m,AB7_cP8_215_a_ce:Ge-Si,8.0,"Invalid WP multiplicities - AB7_cP8_215_a_c2e:Ge-Si, expected Si11Ge to be Si7Ge" +mp-1187004,SiGe3,-4.402472285,0.4211281138,0.4211281138,0.4211281138,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-Si,4.0,A3B_tI8_139_ad_b:Ge-Si +mp-1217979,SrSiGe,-4.2321589767,-0.3195458639,0.0943975017,0.0943975017,GGA,P-6m2,ABC_hP3_187_a_c_f:Ge-Si-Sr,3.0,ABC_hP3_187_a_c_f:Ge-Si-Sr +mp-1217072,Ti3Al,-6.983624355,-0.125611385,0.1535454875,0.0778608808,GGA,P-6m2,AB3_hP4_187_a_bh:Al-Ti,4.0,AB3_hP4_187_a_bh:Al-Ti +mp-1823,Ti3Al,-7.1371698425,-0.2791568725,0.0,-0.0756846067,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Ti,8.0,AB3_hP8_194_c_h:Al-Ti +mp-999027,Ti3Al,-7.018487025,-0.160474055,0.1186828175,0.0429982108,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Ti,4.0,AB3_cF16_225_a_bc:Al-Ti +mp-1217111,Ti5Al11,-5.447949175,-0.4055245367,0.0175921456,0.0175921456,GGA,P4mm,A11B5_tP16_99_2ab4c_2a3b:Al-Ti,16.0,"Invalid WP multiplicities - A11B5_tP16_99_2ab7c_2a3b:Al-Ti, expected Ti5Al17 to be Ti5Al11" +mp-1008753,Ti2Al,-5.9396966933,0.5724899278000001,0.8942426867000001,0.8942426867000001,GGA,F-43m,AB2_cF12_216_a_bc:Al-Ti,3.0,AB2_cF12_216_a_bc:Al-Ti +mp-1217027,TiAl3,-5.026130675,-0.2430757983,0.155201995,0.081343831,GGA,Pmm2,A3B_oP4_25_abc_d:Al-Ti,4.0,A3B_oP4_25_abc_d:Al-Ti +mp-542915,TiAl3,-5.18133267,-0.3982777933,0.0,-0.073858164,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Ti,4.0,A3B_tI8_139_ad_b:Al-Ti +mp-998981,TiAl3,-5.1560990425,-0.3730441658,0.0252336275,-0.0486245365,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Ti,4.0,A3B_cP4_221_c_a:Al-Ti +mp-1211304,Lu6Ti4Al43,-4.4674029479,-0.3208476295,0.0,-0.0188340357,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Ti +mp-1208324,Ti2Al3,-5.5029617945,-0.0974194898,0.32419611,0.32419611,GGA,I4_1/amd,A3B2_tI40_141_ch_h:Al-Ti,20.0,A3B2_tI40_141_ch_h:Al-Ti +mp-1953,TiAl,-6.227478455,-0.4069445317,0.0,-0.0364439955,GGA,P4/mmm,AB_tP2_123_a_d:Al-Ti,2.0,AB_tP2_123_a_d:Al-Ti +mp-1217008,TiAl,-6.072019145,-0.2514852217,0.15545931,0.1190153145,GGA,P-6m2,AB_hP2_187_a_d:Al-Ti,2.0,AB_hP2_187_a_d:Al-Ti +mp-1061123,TiAl,-6.08658215,-0.2660482267,0.140896305,0.1044523095,GGA,Pm-3m,AB_cP2_221_a_b:Al-Ti,2.0,AB_cP2_221_a_b:Al-Ti +mp-11809,TiAl2,-5.5559761583,-0.4270949328,0.0043013792,-0.0200842117,GGA,Cmmm,A2B_oC12_65_acg_h:Al-Ti,6.0,A2B_oC12_65_acg_h:Al-Ti +mp-567705,TiAl2,-5.5602775375,-0.4313963119,0.0,-0.0243855908,GGA,I4_1/amd,A2B_tI24_141_2e_e:Al-Ti,12.0,"Invalid WP multiplicities - A2B_tI24_141_5e_e:Al-Ti, expected TiAl5 to be TiAl2" +mp-1217092,Ti3Al5,-5.71177749,-0.40998309,0.0153002769,0.0153002769,GGA,Pmmm,A5B3_oP8_47_abgj_hk:Al-Ti,8.0,A5B3_oP8_47_abgj_hk:Al-Ti +mp-1217081,Ti3Al5,-5.69949773,-0.39770333,0.0275800369,0.0275800369,GGA,P4/mmm,A5B3_tP8_123_ai_bcd:Al-Ti,8.0,A5B3_tP8_123_ai_bcd:Al-Ti +mp-1185096,La3Sc,-5.2326829225,0.0524396825,0.0524396825,0.0524396825,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Sc,4.0,A3B_tI8_139_ad_b:La-Sc +mp-569411,La3ScBi5,-5.3989363483,-0.9163878961,0.0,-0.0371766572,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Bi-La-Sc,18.0,"Invalid WP multiplicities - A5B3C_hP18_193_2d2g_g_b:Bi-La-Sc, expected La3ScBi10 to be La3ScBi5" +mp-1097113,Be2CuPd,-2.2722099375,1.917268615,2.2662643513000003,2.2662643513000003,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Be-Cu-Pd +mp-1093749,BeCuPd2,-2.54429447,2.0053013188,2.3921183725,2.3921183725,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cu-Pd,4.0,ABC2_oI8_71_a_b_e:Be-Cu-Pd +mp-865169,CaErRh2,-5.96906518,-0.6435815725,0.005065218,0.005065218,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Er-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Er-Rh +mp-1224754,Fe3Pd,-7.5967856075,0.0507007525,0.0867845308,0.0867845308,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-Pd,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-Pd, expected Fe5Pd to be Fe3Pd" +mp-30635,Fe3Pd,-7.580099075,0.067387285,0.1034710633,0.1034710633,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Pd,4.0,A3B_cP4_221_c_a:Fe-Pd +mp-2831,FePd,-6.88864197,-0.06369046,0.0084770967,0.0084770967,GGA,P4/mmm,AB_tP2_123_a_d:Fe-Pd,2.0,AB_tP2_123_a_d:Fe-Pd +mp-1224715,Fe2(PdAu)3,-5.2890147963,-0.001348065,0.0741485133,0.0741485133,GGA,Pmmm,A3B2C3_oP8_47_aj_k_bgh:Au-Fe-Pd,8.0,A3B2C3_oP8_47_aj_k_bgh:Au-Fe-Pd +mp-1224793,FePd2,-6.3220906067,-0.0454956633,0.0507277456,0.0507277456,GGA,P-3m1,AB2_hP3_164_a_d:Fe-Pd,3.0,AB2_hP3_164_a_d:Fe-Pd +mp-1224883,FePd3,-6.0648496125,-0.0624329525,0.0458183825,-0.028311205,GGA,R-3m,AB3_hR12_166_a_bc:Fe-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Fe-Pd, expected FePd5 to be FePd3" +mp-21845,FePd3,-6.110667995,-0.108251335,0.0,-0.0741295875,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Pd,4.0,AB3_cP4_221_a_c:Fe-Pd +mp-1224694,Fe2Pd,-7.3009363967,0.07237168,0.1204833844,0.1204833844,GGA,P-3m1,A2B_hP3_164_d_a:Fe-Pd,3.0,A2B_hP3_164_d_a:Fe-Pd +mp-1021660,NbInRu,-7.1948101833,0.18098692,0.3762321925,0.3762321925,GGA,F-43m,ABC_cF12_216_a_b_c:In-Nb-Ru,3.0,ABC_cF12_216_a_b_c:In-Nb-Ru +mp-864788,NbInRu2,-8.1021811225,-0.25173266,0.0,-0.1011182508,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:In-Nb-Ru +mp-1226053,CoAsPd,-5.677858745,-0.0287527417,0.2668195053,0.2668195053,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Co-Pd,6.0,ABC_tP6_129_c_c_a:As-Co-Pd +mp-28330,TeAuCl7,-3.0909644939,-0.9401928813,0.0,-0.0090644693,GGA,P-1,AB7C_aP18_2_i_7i_i:Au-Cl-Te,18.0,AB7C_aP18_2_i_7i_i:Au-Cl-Te +mp-27647,AuCl3,-2.9249249819000003,-0.7200519869,0.0,-0.1376675503,GGA,P2_1/c,AB3_mP16_14_e_3e:Au-Cl,16.0,AB3_mP16_14_e_3e:Au-Cl +mp-1228677,AuCl,-2.827289875,-0.266080545,0.2561326325,0.2288548019,GGA,Cm,AB_mC4_8_a_a:Au-Cl,2.0,AB_mC4_8_a_a:Au-Cl +mp-1120780,AuCl,-3.0775097413,-0.5163004112,0.0059127662,-0.0213650644,GGA,P4_2/ncm,AB_tP8_138_c_e:Au-Cl,8.0,AB_tP8_138_c_e:Au-Cl +mp-32780,AuCl,-3.0834225075,-0.5222131775000001,0.0,-0.0272778306,GGA,I4_1/amd,AB_tI16_141_c_e:Au-Cl,8.0,AB_tI16_141_c_e:Au-Cl +mp-1183171,AuCl,-2.7278035,-0.16659417,0.3556190075,0.3283411769,GGA,P6_3mc,AB_hP4_186_b_b:Au-Cl,4.0,AB_hP4_186_b_b:Au-Cl +mp-1214857,AuCl4,-2.669472549,-0.535866821,0.0401747685,0.0401747685,GGA,I4_1/amd,AB4_tI20_141_a_h:Au-Cl,10.0,AB4_tI20_141_a_h:Au-Cl +mp-27490,Te2AuCl,-3.47282831,-0.6205706983,0.0,-0.0331971397,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-Cl-Te,8.0,ABC2_oC16_63_c_c_f:Au-Cl-Te +mp-541656,AuCl2,-2.9835655692,-0.6599137958,0.0,-0.0058080787,GGA,P-1,AB2_aP12_2_2i_4i:Au-Cl,12.0,AB2_aP12_2_2i_4i:Au-Cl +mp-1183201,Au3Cl,-2.76604733,0.151498335,0.4126049238,0.4126049238,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Cl,4.0,A3B_tI8_139_ad_b:Au-Cl +mp-1096272,MnNb2Ru,-5.8930580125,3.7666989655,3.9382977282,3.9382977282,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Nb-Ru,4.0,AB2C_oI8_71_a_e_b:Mn-Nb-Ru +mp-864992,MnNbRu2,-9.617154815,-0.164123462,0.0,-0.0398485717,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Mn-Nb-Ru +mp-1207694,TmSbIr,-6.69545936,-0.8810357456000001,0.0221091342,0.0221091342,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sb-Tm,12.0,ABC_oP12_62_c_c_c:Ir-Sb-Tm +mp-1187620,YbNdPt2,-5.7201965925,-1.1076910044,0.0,-0.0038016564,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nd-Pt-Yb,,AB2C_cF16_225_a_c_b:Nd-Pt-Yb +mp-1212891,Eu3Sn5,-6.9682754513,-0.6159173669,0.0,-0.012927205,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Eu-Sn,16.0,A3B5_oC32_63_ce_cfg:Eu-Sn +mp-1187560,TlSn,-3.132188595,0.0539189058,0.0539189058,0.0539189058,GGA,Cm,AB_mC4_8_a_a:Sn-Tl,2.0,AB_mC4_8_a_a:Sn-Tl +mp-2556,TlSn,-3.13850257,0.0476049308,0.0476049308,0.0476049308,GGA,P4/mmm,AB_tP2_123_a_d:Sn-Tl,2.0,AB_tP2_123_a_d:Sn-Tl +mp-1187690,TlSn3,-3.53020294,0.0676367379,0.0676367379,0.0676367379,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-Tl,8.0,A3B_hP8_194_h_c:Sn-Tl +mp-567833,EuSn,-7.83878089,-0.7054940625,0.0,-0.0809301079,GGA,Cmcm,AB_oC8_63_c_c:Eu-Sn,4.0,AB_oC8_63_c_c:Eu-Sn +mp-1184286,Eu2TlSn,-7.28211672,-0.5605620696,0.0,-0.02214475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Sn-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-Sn-Tl +mp-1216560,Tl4Sn,-2.6699512160000003,0.0220776723,0.0220776723,0.0220776723,GGA,R-3m,AB4_hR15_166_a_2c:Sn-Tl,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Sn-Tl, expected Tl6Sn to be Tl4Sn" +mp-1187553,Tl3Sn,-2.7425222288,0.031853095,0.031853095,0.031853095,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Tl,8.0,AB3_hP8_194_c_h:Sn-Tl +mp-1213070,Eu2Sn,-8.81061789,-0.6360927383,0.0,-0.0980124683,GGA,Pnma,A2B_oP12_62_2c_c:Eu-Sn,12.0,A2B_oP12_62_2c_c:Eu-Sn +mp-867368,Eu3Sn,-9.1495176875,-0.4543733738,0.02269618,0.02269618,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Sn,8.0,A3B_hP8_194_h_c:Eu-Sn +mp-20387,EuSn3,-6.0719156025,-0.5004862613000001,0.0,-0.0898746833,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Sn,4.0,AB3_cP4_221_a_c:Eu-Sn +mp-1097555,Ta2CoOs,-6.2869809425,4.2258291788,4.5223222864,4.5223222864,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Os-Ta,4.0,ABC2_oI8_71_a_b_e:Co-Os-Ta +mp-1078859,Er6MnTe2,-5.4351672767,-0.6735072835,0.0,-0.0425818773,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Er-Mn-Te,9.0,A6BC2_hP9_189_fg_a_d:Er-Mn-Te +mp-1187613,YbDyCd2,-2.3563441225,-0.3583004625,0.0,-0.0012269975,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Yb,,A2BC_cF16_225_c_a_b:Cd-Dy-Yb +mp-1187988,Yb3Dy,-2.1836012438,0.1228016762,0.1228016762,0.1228016762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Yb,,AB3_hP8_194_c_h:Dy-Yb +mp-1187669,YbDy3,-3.7323156475,0.1076765525,0.1076765525,0.1076765525,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Yb,,A3B_tI8_139_ad_b:Dy-Yb +mp-980063,YbDy3,-3.727491655,0.112500545,0.112500545,0.112500545,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Yb,,A3B_cP4_221_c_a:Dy-Yb +mp-1184389,EuAgHg2,-3.7604365575,-0.3362069242,0.0277760189,0.0277760189,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Eu-Hg,4.0,ABC2_cF16_225_a_b_c:Ag-Eu-Hg +mp-1183893,Eu2AgHg,-6.335682655,-0.4231226629,0.0149900056,0.0149900056,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Hg,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Hg +mp-865978,YbPrHg2,-2.3071931425,-0.5752244512,0.0,-0.0191681075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pr-Yb,,A2BC_cF16_225_c_a_b:Hg-Pr-Yb +mp-1220294,Nd2Sn4Pd,-5.0753757043,-0.6818808336000001,0.0052412847,0.0052412847,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Nd-Pd-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:Nd-Pd-Sn +mp-1192386,Nd3(SnPd)5,-5.4327184812,-0.7979715102,0.0,-0.0022349838,GGA,C2/m,A3B5C5_mC52_12_3i_5i_ad4i:Nd-Pd-Sn,26.0,A3B5C5_mC52_12_3i_5i_ac4i:Nd-Pd-Sn +mp-22695,NdSnPd,-5.5590260883,-0.9064923892,0.0065425294,-0.112516352,GGA,Pnma,ABC_oP12_62_c_c_c:Nd-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Nd-Pd-Sn +mp-22419,NdSnPd,-5.5655686178,-0.9130349186,0.0,-0.1190588814,GGA,P-62m,ABC_hP9_189_f_ad_g:Nd-Pd-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Nd-Pd-Sn, expected Nd3Sn3Pd5 to be NdSnPd" +mp-7447,Rb2Se3,-3.5699436760000003,-1.0801831604,0.0,-0.0305909571,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:Rb-Se,10.0,A2B3_oC20_36_2a_ab:Rb-Se +mp-974774,Rb3Tc,-2.0841176275,1.2414426631,1.2414426631,1.2414426631,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Tc,4.0,A3B_tI8_139_ad_b:Rb-Tc +mp-974820,Rb3Tc,-2.07751805,1.2480422406,1.2480422406,1.2480422406,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Tc,4.0,A3B_cF16_225_ac_b:Rb-Tc +mp-620372,Rb2Se5,-3.6958105739,-0.9185783549,0.0,-0.1470189546,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:Rb-Se,28.0,"Invalid WP multiplicities - A2B5_oP28_19_5a_18a:Rb-Se, expected Rb5Se18 to be Rb2Se5" +mp-9063,RbSe,-3.4024520958,-1.1642293208,0.0,-0.0363818271,GGA,P-62m,AB_hP12_189_fg_eh:Rb-Se,12.0,AB_hP12_189_fg_eh:Rb-Se +mp-1061530,RbSe,-2.90921938,-0.6709966049,0.4932327158,0.4568508887,GGA,Fm-3m,AB_cF8_225_a_b:Rb-Se,2.0,AB_cF8_225_a_b:Rb-Se +mp-541355,Rb2(TcSe2)3,-5.9101545380000005,-0.9993860065,0.0,-0.4148361443,GGA,C2/c,A2B6C3_mC88_15_2ef_6f_3f:Rb-Se-Tc,44.0,A2B6C3_mC88_15_2ef_6f_3f:Rb-Se-Tc +mp-11327,Rb2Se,-3.0262812567,-1.2072880491,0.0,-0.4311351686,GGA,Fm-3m,A2B_cF12_225_c_a:Rb-Se,3.0,A2B_cF12_225_c_a:Rb-Se +mp-581510,La4CdCo,-4.8290555421,-0.1998495462,0.0,-0.0240557029,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Co-La,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_3e3f4g:Cd-Co-La, expected La27(CdCo)2 to be La4CdCo" +mp-979013,SmGe3,-5.0420715437,-0.3951541187,0.1005321646,0.1005321646,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Sm,8.0,A3B_hP8_194_h_c:Ge-Sm +mp-1219394,Sm2GeRu3,-7.3787138767,-0.3981459192,0.0547544758,0.0547544758,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ge-Ru-Sm,6.0,AB3C2_hR18_166_a_d_c:Ge-Ru-Sm +mp-1072419,SmGe5,-4.8838849367,-0.2449307017,0.0855268206,0.0855268206,GGA,Immm,A5B_oI12_71_al_c:Ge-Sm,6.0,A5B_oI12_71_al_c:Ge-Sm +mp-22044,Sm2Ge2Ru,-6.353687922,-0.762161818,0.0,-0.004654141,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Sm,10.0,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Sm +mp-1194691,Sm3(GeRu)2,-6.6464569954,-0.6535113961,0.0,-0.0271870222,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ge-Ru-Sm,28.0,A2B2C3_oP28_57_cd_e_de:Ge-Ru-Sm +mp-754776,Sm2Ge5Ru3,-6.6872641745,-0.649712258,0.0,-0.0348145515,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ru-Sm,20.0,"Invalid WP multiplicities - A5B3C2_oI40_72_a4f4j_bj_j:Ge-Ru-Sm, expected Sm2Ge17Ru3 to be Sm2Ge5Ru3" +mp-22145,Sm3(Ge2Ru)2,-6.4293235289,-0.740804095,0.0117556233,0.0117556233,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Ge-Ru-Sm,9.0,A4B2C3_mC18_12_2i_i_ai:Ge-Ru-Sm +mp-20655,SmGeRu,-6.8746720542,-0.6693332108000001,0.0162617625,-0.0121573519,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ru-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Ru-Sm +mp-1019109,SmGeRu,-6.8909338167000005,-0.6855949733000001,0.0,-0.0284191144,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Ru-Sm,6.0,ABC_tP6_129_c_a_c:Ge-Ru-Sm +mp-1219196,Sm2Ge3,-5.179994218,-0.5187430510000001,0.2491558355,0.2491558355,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Sm,5.0,A3B2_hP5_187_abc_i:Ge-Sm +mp-21224,Sm(GeRu)2,-7.164995492,-0.662306107,0.0,-0.092045607,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Sm,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Sm +mp-972521,SmGe,-5.5361837275,-0.8653767325,0.0,-0.0654861012,GGA,Cmcm,AB_oC8_63_c_c:Ge-Sm,4.0,AB_oC8_63_c_c:Ge-Sm +mp-1200023,Sm3Ge13Ru4,-6.0128630718,-0.4452265377,0.028562903,0.028562903,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Sm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Sm +mp-1188992,Sm5Ge3,-5.4230227862,-0.7402710062000001,0.0,-0.0442278337,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Sm,16.0,A3B5_hP16_193_g_dg:Ge-Sm +mp-12750,SmGe2,-5.237598575,-0.58271796,0.0781970844,0.0781970844,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Sm,6.0,A2B_tI12_141_e_a:Ge-Sm +mp-1506,Sm5Ge4,-5.5010558447,-0.8249400564,0.0,-0.0151658689,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Sm,36.0,A4B5_oP36_62_2cd_c2d:Ge-Sm +mp-1191192,Sm4Ge7,-5.3763196277,-0.7185433073,0.002454923,0.002454923,GGA,C222_1,A7B4_oC44_20_a3c_abc:Ge-Sm,22.0,A7B4_oC44_20_a3c_abc:Ge-Sm +mp-580126,Sm3Ge5,-5.3989075944,-0.7400453844,0.0034840406,-0.0092659583,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Sm,16.0,"Invalid WP multiplicities - A5B3_oF64_43_2a7b_2a2b:Ge-Sm, expected Sm3Ge8 to be Sm3Ge5" +mp-569320,Sm3Ge5,-5.402391635,-0.7435294250000001,0.0,-0.012749999,GGA,P-62c,A5B3_hP16_190_bch_g:Ge-Sm,16.0,"Invalid WP multiplicities - A5B3_hP16_190_2b2c2h_g:Ge-Sm, expected Sm3Ge10 to be Sm3Ge5" +mp-1079739,GdSnPt,-9.1326068911,-1.0803310861,0.0,-0.1730274561,GGA,P-62m,ABC_hP9_189_f_ad_g:Gd-Pt-Sn,9.0,ABC_hP9_189_f_ad_g:Gd-Pt-Sn +mp-623460,GdSn3,-6.837508905,-0.3112994538,0.151796675,0.141993325,GGA,Amm2,AB3_oC16_38_ab_3a3b:Gd-Sn,8.0,AB3_oC16_38_ab_3a3b:Gd-Sn +mp-19919,GdSn3,-6.98930558,-0.4630961288,0.0,-0.00980335,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Sn,4.0,AB3_cP4_221_a_c:Gd-Sn +mp-1079214,GdSnPt2,-8.5303660075,-0.9733758237,0.0,-0.0144347433,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Gd-Pt-Sn,8.0,AB2C_hP8_194_c_f_a:Gd-Pt-Sn +mp-1071567,GdSn2,-7.9694790217,-0.6043903717,0.0,-0.1927493683,GGA,Cmcm,AB2_oC12_63_c_2c:Gd-Sn,6.0,AB2_oC12_63_c_2c:Gd-Sn +mp-865253,LuMgPd2,-4.98597335,-0.8657248025000001,0.0,-0.007646945,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Lu-Mg-Pd +mp-12962,Zr6FeSb2,-8.1206330078,-0.5634966222000001,0.0,-0.034694644,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sb-Zr,9.0,"Invalid WP multiplicities - AB2C6_hP9_189_a_d_2f2g:Fe-Sb-Zr, expected Zr12FeSb2 to be Zr6FeSb2" +mp-1189764,Zr5FeSb3,-7.7496150283,-0.6834452417,0.0,-0.0036450649,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Fe-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Fe-Sb-Zr +mp-1216223,Zr3Fe2Sb3,-7.4350665247,-0.5637980209,0.0425542381,0.0425542381,GGA,Pm,A2B3C3_mP32_6_2a6b_6a6b_6a6b:Fe-Sb-Zr,32.0,A2B3C3_mP32_6_2a6b_6a6b_6a6b:Fe-Sb-Zr +mp-1224995,Fe5Sb4,-6.6080977767,-0.0674187756,0.0365837578,0.0365837578,GGA,Imm2,A5B4_oI18_44_a2c_abc:Fe-Sb,9.0,"Invalid WP multiplicities - A5B4_oI18_44_a4c_abc:Fe-Sb, expected Fe9Sb4 to be Fe5Sb4" +mp-2619,FeSb,-6.3761623975,-0.0766511725,0.0403516775,0.0403516775,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-Sb,4.0,AB_hP4_194_a_c:Fe-Sb +mp-971669,FeSb3,-5.3812663206,-0.1670100881,0.0,-0.0500072381,GGA,Im-3,AB3_cI32_204_c_g:Fe-Sb,16.0,AB3_cI32_204_c_g:Fe-Sb +mp-20714,FeSb2,-5.7320116967,-0.1560038,0.0,-0.0075503883,GGA,Pnnm,AB2_oP6_58_a_g:Fe-Sb,6.0,AB2_oP6_58_a_g:Fe-Sb +mp-1072181,FeSb2,-5.54056088,0.0354470167,0.1914508167,0.1839004283,GGA,I4/mcm,AB2_tI12_140_a_h:Fe-Sb,6.0,AB2_tI12_140_a_h:Fe-Sb +mp-1225139,Fe4Sb3,-6.2559095329,0.3536745471,0.4539627043,0.4539627043,GGA,P-6m2,A4B3_hP7_187_2h_ai:Fe-Sb,7.0,"Invalid WP multiplicities - A4B3_hP7_187_3h_ai:Fe-Sb, expected Fe2Sb to be Fe4Sb3" +mp-1184324,Fe3Sb,-7.3579321663,0.0268340513,0.0853354763,0.0853354763,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Sb,8.0,A3B_hP8_194_h_c:Fe-Sb +mp-961652,ZrFeSb,-7.5537129967,-0.5048053033000001,0.0341744825,0.0341744825,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Sb-Zr,3.0,ABC_cF12_216_c_a_b:Fe-Sb-Zr +mp-569213,Dy4Ni12Sn25,-4.9142454122,-0.3281945855,0.0024460733,0.0024460733,GGA,Im-3,A4B12C25_cI82_204_c_g_a2g:Dy-Ni-Sn,41.0,"Invalid WP multiplicities - A4B12C25_cI82_204_c_g_a15g:Dy-Ni-Sn, expected Dy4Ni12Sn181 to be Dy4Ni12Sn25" +mp-1213139,DyNi4Sn,-5.6506636961000005,-0.3611794603,0.0324866879,0.0324866879,GGA,P6/mmm,AB4C_hP18_191_ad_kl_f:Dy-Ni-Sn,18.0,AB4C_hP18_191_ad_kl_f:Dy-Ni-Sn +mp-1207036,Dy2Ni2Sn,-5.548177118,-0.591493339,0.002501098,-0.0039929469,GGA,Immm,A2B2C_oI10_71_e_g_c:Dy-Ni-Sn,5.0,A2B2C_oI10_71_e_g_c:Dy-Ni-Sn +mp-1079840,Dy2Ni2Sn,-5.550678216,-0.593994437,0.0,-0.0064940449,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Dy-Ni-Sn,10.0,A2B2C_tP10_127_h_g_a:Dy-Ni-Sn +mp-568709,Dy2Ni7Sn3,-5.5676813794,-0.4257442123,0.0,-0.0029704739,GGA,Cmce,A2B7C3_oC96_64_df_3f2g_2ef:Dy-Ni-Sn,48.0,"Invalid WP multiplicities - A2B7C3_oC96_64_3d3f_9f12g_6e3f:Dy-Ni-Sn, expected Dy2Ni11Sn3 to be Dy2Ni7Sn3" +mp-510152,DyNiSn,-5.4706062,-0.6717744083,0.0,-0.0861199356,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Dy-Ni-Sn +mp-1225917,Dy4NiSn8,-4.8915619046,-0.5620342985,0.0239948478,0.0239948478,GGA,Pmm2,A4BC8_oP13_25_abcd_a_2a2b2c2d:Dy-Ni-Sn,13.0,A4BC8_oP13_25_abcd_a_2a2b2c2d:Dy-Ni-Sn +mp-580525,DyNiSn2,-5.1767463248,-0.5752295173,0.0,-0.0372136612,GGA,Pnma,ABC2_oP48_62_3c_3c_6c:Dy-Ni-Sn,48.0,"Invalid WP multiplicities - ABC2_oP48_62_11c_9c_22c:Dy-Ni-Sn, expected Dy11Ni9Sn22 to be DyNiSn2" +mp-1212896,DyNiSn4,-4.7511308092,-0.3469289858,0.0446420463,0.0446420463,GGA,Cmmm,ABC4_oC24_65_g_h_acg2h:Dy-Ni-Sn,12.0,ABC4_oC24_65_g_h_acg2h:Dy-Ni-Sn +mp-1079605,Dy2NiSn6,-4.7959857033,-0.4569699822,0.0073669184,0.0073669184,GGA,Cmmm,A2BC6_oC18_65_h_a_2gh:Dy-Ni-Sn,9.0,A2BC6_oC18_65_h_a_2gh:Dy-Ni-Sn +mp-1213483,DyNi3Sn2,-5.3370501944,-0.3426600961,0.1120502552,0.1120502552,GGA,P6/mmm,AB3C2_hP18_191_ad_fl_k:Dy-Ni-Sn,18.0,AB3C2_hP18_191_ad_fl_k:Dy-Ni-Sn +mp-1106355,Dy6Ni2Sn,-5.2017503333,-0.400576305,0.0160193702,0.0160193702,GGA,Immm,A6B2C_oI36_71_lmn_fg_ab:Dy-Ni-Sn,18.0,A6B2C_oI36_71_lmn_fg_ab:Dy-Ni-Sn +mp-567097,LiCu2Ge,-3.8653531375,-0.1827621221,0.0,-0.0200330787,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Cu-Ge-Li +mp-1205902,Li5(CuGe)2,-3.3053057678,-0.3065187252,0.0,-0.0046801537,GGA,P-3m1,A2B2C5_hP9_164_c_d_a2d:Cu-Ge-Li,9.0,A2B2C5_hP9_164_c_d_a2d:Cu-Ge-Li +mp-1222687,Li2Cu3Ge,-3.6342602633,-0.1778446636,0.0353227533,0.0353227533,GGA,R-3m,A3BC2_hR18_166_d_a_c:Cu-Ge-Li,6.0,A3BC2_hR18_166_d_a_c:Cu-Ge-Li +mp-676117,Li2CuGe,-3.4464132338,-0.3113931692,0.0083579563,-0.0276437091,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Cu-Ge-Li,8.0,ABC2_oP8_31_a_a_2a:Cu-Ge-Li +mp-1222779,Li2CuGe,-2.992411905,0.1426081596,0.462359285,0.4263576197,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-Ge-Li,4.0,ABC2_hR12_160_a_a_2a:Cu-Ge-Li +mp-35841,Li2CuGe,-3.45477119,-0.3197511254,0.0,-0.0360016653,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cu-Ge-Li,4.0,ABC2_cF16_216_a_c_bd:Cu-Ge-Li +mp-1096100,Al2TcNi,-3.41313782,2.4948440012,3.0335127162,3.0335127162,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ni-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Ni-Tc +mp-1248348,Al2TcNi,-3.4122533275,2.4957284937,3.0343972087,3.0343972087,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ni-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Ni-Tc +mp-1186562,PmErZn2,-3.2919053175,-0.3324682294,0.0,-0.0398955844,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Pm-Zn +mp-999438,Nb3Fe,-9.4840073225,0.20947676,0.263578119,0.263578119,GGA,I4/mmm,AB3_tI8_139_a_bd:Fe-Nb,4.0,AB3_tI8_139_a_bd:Fe-Nb +mp-999440,Nb3Fe,-9.40601833,0.2874657525,0.3415671115,0.3415671115,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Nb,4.0,AB3_cP4_221_a_c:Fe-Nb +mp-999395,Nb3Fe,-9.6627487575,0.030735325,0.084836684,0.084836684,GGA,Fm-3m,AB3_cF16_225_a_bc:Fe-Nb,4.0,AB3_cF16_225_a_bc:Fe-Nb +mp-1220667,Nb3AlFe8,-8.6567126933,-0.1725743075,0.0200740508,0.0200740508,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Fe-Nb,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Fe-Nb +mp-568901,NbFe2,-9.1443678192,-0.1305853325,0.0042086475,-0.0492997853,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Nb,12.0,A2B_hP12_194_ah_f:Fe-Nb +mp-1192350,NbFe2,-9.1431248292,-0.1293423425,0.0054516375,-0.0480567953,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Fe-Nb,24.0,A2B_hP24_194_fgh_ef:Fe-Nb +mp-1077790,NbFe2,-9.1485764667,-0.13479398,0.0,-0.0535084328,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Nb,6.0,A2B_cF24_227_c_b:Fe-Nb +mp-865280,NbAlFe2,-8.0724849275,-0.375754105,0.0,-0.1188768925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Nb,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Nb +mp-1220454,NbAlFe4,-8.1230706142,-0.1685763292,0.0819264075,0.0819264075,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Fe-Nb,12.0,AB4C_hP12_164_d_abi_d:Al-Fe-Nb +mp-1221111,NbFe,-9.3938658431,-0.1082027181,0.0,-0.0025790028,GGA,R-3m,AB_hR78_166_a2h_b6c:Fe-Nb,26.0,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Fe-Nb, expected Nb19Fe67 to be NbFe" +mp-1071283,Nb2Fe,-8.9481862833,0.60935748,0.6814926254,0.6814926254,GGA,Fd-3m,AB2_cF24_227_a_d:Fe-Nb,6.0,AB2_cF24_227_a_d:Fe-Nb +mp-1220549,NbAlFe,-7.7568108767,-0.3178435167,0.0484907374,0.0484907374,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Nb, expected Nb3(AlFe)2 to be NbAlFe" +mp-1103885,Nb6Fe7,-9.3354706585,-0.1125492192,0.0017899439,0.0017899439,GGA,R-3m,A7B6_hR39_166_ah_3c:Fe-Nb,13.0,A7B6_hR39_166_ah_3c:Fe-Nb +mp-999391,NbFe3,-8.848262445,0.0295797225,0.1306752075,0.1306752075,GGA,I4/mmm,A3B_tI8_139_ad_b:Fe-Nb,4.0,A3B_tI8_139_ad_b:Fe-Nb +mp-1065741,NbFe3,-8.843819605,0.0340225625,0.1351180475,0.1351180475,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Nb,4.0,A3B_cP4_221_c_a:Fe-Nb +mp-999389,NbFe3,-8.9275340325,-0.049691865,0.05140362,0.05140362,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-Nb,4.0,A3B_cF16_225_ac_b:Fe-Nb +mp-1221162,Nb19Fe20,-9.3730812454,-0.1083320156,0.0019161841,0.0019161841,GGA,P-3m1,A20B19_hP39_164_d3i_a3c6d:Fe-Nb,39.0,"Invalid WP multiplicities - A20B19_hP39_164_d17i_a5c10d:Fe-Nb, expected Nb31Fe104 to be Nb19Fe20" +mp-1097337,Ti2GaRe,-4.6813015325,3.1346002777,3.5693875375,3.5693875375,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Re-Ti,4.0,ABC2_oI8_71_a_b_e:Ga-Re-Ti +mp-1187443,Ti2GaRe,-8.238249055,-0.4223472448,0.012440015,0.012440015,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Ga-Re-Ti +mp-1190240,TmSiPt2,-6.6901686806,-1.1793136573,0.0,-0.0951346971,GGA,Pnma,A2BC_oP16_62_d_c_c:Pt-Si-Tm,16.0,A2BC_oP16_62_d_c_c:Pt-Si-Tm +mp-1195989,Tm3Si11Pt23,-6.6001179485,-0.8503322469,0.0106534676,0.0106534676,GGA,Fm-3m,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Tm,74.0,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Tm +mp-7108,Tm(SiPt)2,-6.493777058,-1.0000294333,0.0,-0.0228509589,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Tm +mp-1216539,Tm(SiPt)2,-6.434617616,-0.9408699913,0.059159442,0.0363084831,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Pt-Si-Tm,5.0,A2B2C_tI10_139_e_d_a:Pt-Si-Tm +mp-1206787,Tm2(SiPt)3,-5.0513033775,0.3788247346,1.457458725,1.457458725,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Tm,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Tm +mp-1095501,TmSiPt,-6.5337371767,-1.2096415856,0.0,-0.1627370404,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Tm,12.0,ABC_oP12_62_c_c_c:Pt-Si-Tm +mp-1208191,Tm6Ti4Al43,-4.4713759671,-0.3299280181,0.0,-0.0223206382,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Tm +mp-1201871,Li7Si3,-3.2078870842,-0.2440456685,0.0,-0.018429407,GGA,P3_212,A7B3_hP60_153_2a6c_3c:Li-Si,60.0,A7B3_hP60_153_2a6c_3c:Li-Si +mp-27930,Li7Si2,-2.8884731406,-0.1981291265,0.0283369329,0.0283369329,GGA,Pbam,A7B2_oP36_55_ad3g3h_gh:Li-Si,36.0,A7B2_oP36_55_ad3g3h_gh:Li-Si +mp-1185431,LiSi3,-4.309629015,0.2365902242,0.3237493915,0.3237493915,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Si,4.0,AB3_tI8_139_a_bd:Li-Si +mp-975321,LiSi3,-4.3227939237,0.2234253154,0.3105844827,0.3105844827,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Si,8.0,AB3_hP8_194_c_h:Li-Si +mp-1314,Li12Si7,-3.4210881213,-0.2166512471,0.0035403335,0.0035403335,GGA,Pnma,A12B7_oP152_62_2c11d_4c5d:Li-Si,152.0,A12B7_oP152_62_2c11d_4c5d:Li-Si +mp-672287,Li13Si4,-2.9704044518,-0.2340944878,0.0,-0.0076981426,GGA,Pbam,A13B4_oP34_55_a3g3h_gh:Li-Si,34.0,"Invalid WP multiplicities - A13B4_oP34_55_2a9g11h_3g3h:Li-Si, expected Li7Si2 to be Li13Si4" +mp-542598,Li22Si5,-2.7433021494,-0.1831949933,0.0171318857,0.0171318857,GGA,F-43m,A22B5_cF432_216_abcd6efg4h_2efg:Li-Si,108.0,A22B5_cF432_216_abcd6efg4h_2efg:Li-Si +mp-1211165,Li13(Si5Pd7)2,-4.6986836661,-0.6017235875,0.0,-0.0177594916,GGA,Pnnm,A13B14C10_oP74_58_a6g_7g_5g:Li-Pd-Si,74.0,A13B14C10_oP74_58_a6g_7g_5g:Li-Pd-Si +mp-20747,LiSi3Pd,-4.60680792,0.0661438333,0.3891782534,0.3891782534,GGA,I4mm,ABC3_tI10_107_a_a_ab:Li-Pd-Si,5.0,ABC3_tI10_107_a_a_ab:Li-Pd-Si +mp-29720,Li21Si5,-2.7931844647,-0.2080317589,0.0,-0.0073984972,GGA,F-43m,A21B5_cF416_216_6efg4h_2efg:Li-Si,104.0,"Invalid WP multiplicities - A21B5_cF416_216_6efg5h_2efg:Li-Si, expected Li24Si5 to be Li21Si5" +mp-569849,Li15Si4,-2.8688572087,-0.2196406234,0.0,-0.000562888,GGA,I-43d,A15B4_cI76_220_ae_c:Li-Si,38.0,"Invalid WP multiplicities - A15B4_cI76_220_6a6e_c:Li-Si, expected Li45Si2 to be Li15Si4" +mp-864997,LiSiPd2,-5.1204601125,-0.6969589833000001,0.0,-0.098295909,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Si,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Si +mp-795,LiSi,-3.8291932194,-0.162072771,0.0122455636,0.0122455636,GGA,I4_1/a,AB_tI32_88_f_f:Li-Si,16.0,AB_tI32_88_f_f:Li-Si +mp-570363,LiSi,-3.6235575444,0.043562904,0.2178812386,0.2178812386,GGA,I4_1/a,AB_tI32_88_f_f:Li-Si,16.0,AB_tI32_88_f_f:Li-Si +mp-1222271,LiSi,-3.5455076625,0.1216127858,0.2959311205,0.2959311205,GGA,Fd-3m,AB_cF16_227_a_b:Li-Si,4.0,AB_cF16_227_a_b:Li-Si +mp-27705,Li2Si,-3.2704818217,-0.1894272339,0.0429972123,0.0429972123,GGA,R-3m,A2B_hR18_166_2c_c:Li-Si,6.0,A2B_hR18_166_2c_c:Li-Si +mp-1221725,Mn4Cu,-8.015898004,0.1335555637,0.1335555637,0.1335555637,GGA,R-3m,AB4_hR15_166_a_2c:Cu-Mn,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Cu-Mn, expected Mn6Cu to be Mn4Cu" +mp-1097093,MnCuRh2,-4.30260496,2.6948544655,2.7840119750000003,2.7840119750000003,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Mn-Rh,4.0,ABC2_oI8_71_a_b_e:Cu-Mn-Rh +mp-974747,MnCu3,-5.2721596075,0.092749218,0.092749218,0.092749218,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Mn,8.0,A3B_hP8_194_h_c:Cu-Mn +mp-1096136,Zr2RuRh,-5.6687653975,2.76476252,3.4920626562,3.4920626562,GGA,Immm,ABC2_oI8_71_a_b_e:Rh-Ru-Zr,4.0,ABC2_oI8_71_a_b_e:Rh-Ru-Zr +mp-867919,ErNbRu2,-8.6588533,-0.3543960675,0.0,-0.0461502751,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Nb-Ru +mp-1224449,HfMo4,-10.632681816,0.035276078,0.138361304,0.138361304,GGA,Fmmm,AB4_oF20_69_a_2g:Hf-Mo,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Hf-Mo, expected HfMo6 to be HfMo4" +mp-631313,SrHf2Mo,-7.2548140625,0.8575663433,0.9219946096,0.9219946096,GGA,F-43m,A2BC_cF16_216_ac_b_d:Hf-Mo-Sr,4.0,A2BC_cF16_216_ac_b_d:Hf-Mo-Sr +mp-1224314,HfMo,-10.331183255,0.070236315,0.1990928475,0.1990928475,GGA,Cmmm,AB_oC4_65_a_c:Hf-Mo,2.0,AB_oC4_65_a_c:Hf-Mo +mp-1187122,Sr3Mo,-3.138815085,0.8397175325,0.8397175325,0.8397175325,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-Sr,4.0,AB3_cF16_225_a_bc:Mo-Sr +mp-1224345,HfMo2,-10.5141827667,0.03531365,0.20712236,0.03531365,GGA,Fmmm,AB2_oF12_69_a_g:Hf-Mo,3.0,AB2_oF12_69_a_g:Hf-Mo +mp-1191083,HfMo2,-10.7144491233,-0.1649527067,0.0068560033,-0.1649527067,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Hf-Mo,24.0,AB2_hP24_194_ef_fgh:Hf-Mo +mp-2363,HfMo2,-10.7213051267,-0.17180871,0.0,-0.17180871,GGA,Fd-3m,AB2_cF24_227_a_d:Hf-Mo,6.0,AB2_cF24_227_a_d:Hf-Mo +mp-1212251,Hf4Mo,-9.145346281,0.989534965,1.041077578,1.041077578,GGA,Fd-3m,A4B_cF40_227_e_a:Hf-Mo,10.0,A4B_cF40_227_e_a:Hf-Mo +mp-11270,MnBe2,-5.7972492667,-0.2503022593,0.0,-0.0912887387,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Mn,12.0,A2B_hP12_194_ah_f:Be-Mn +mp-1097375,MnBe2Os,-3.75861603,3.208436083,3.3974491892,3.3974491892,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Mn-Os,4.0,A2BC_oI8_71_e_a_b:Be-Mn-Os +mp-973292,MnBe3,-5.2739536825,-0.1788902107,0.0105237698,0.0105237698,GGA,Pm-3m,A3B_cP4_221_c_a:Be-Mn,4.0,A3B_cP4_221_c_a:Be-Mn +mp-1104792,MnBe12,-4.2194898377,-0.0629537091,0.0,-0.0051916492,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Mn,13.0,A12B_tI26_139_fij_a:Be-Mn +mp-974571,Mn3Be,-7.8137188462,-0.0073541609,0.0865091863,0.0865091863,GGA,P6_3/mmc,AB3_hP8_194_c_h:Be-Mn,8.0,AB3_hP8_194_c_h:Be-Mn +mp-864622,Nd2IrPd,-6.6003305025,-0.7116777887,0.0271455464,0.0271455464,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Nd-Pd,4.0,AB2C_cF16_225_a_c_b:Ir-Nd-Pd +mp-1210532,Lu5BiPd2,-5.3157190413,-0.7150933725,0.0,-0.0308145303,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Lu-Pd,16.0,AB5C2_tI32_140_a_cl_h:Bi-Lu-Pd +mp-1207185,LuBiPd,-5.4215878867,-0.9078140667,0.0,-0.1559133831,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Lu-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Lu-Pd +mp-1185495,LuBiPd2,-5.4285324875,-0.74823167,0.0765214552,0.0765214552,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Bi-Lu-Pd +mp-1213266,Gd12Co6Pb,-11.5790931532,-0.2487762732,0.0,-0.0717881355,GGA,Im-3,A6B12C_cI38_204_e_g_a:Co-Gd-Pb,19.0,A6B12C_cI38_204_e_g_a:Co-Gd-Pb +mp-1184465,CoPb3,-4.1992573413,0.36230741,0.36230741,0.36230741,GGA,Cmcm,AB3_oC16_63_c_cg:Co-Pb,8.0,"Invalid WP multiplicities - AB3_mP8_11_e_6e:Co-Pb, expected CoPb6 to be CoPb3" +mp-1183900,CoPb3,-3.9867070125,0.5748577387,0.5748577387,0.5748577387,GGA,Fm-3m,AB3_cF16_225_a_bc:Co-Pb,4.0,AB3_cF16_225_a_bc:Co-Pb +mp-1206950,Tb2As3Au,-2.0716357367,2.3483591658,3.3691362908,3.3691362908,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Au-Tb,6.0,A3BC2_tP6_123_ag_b_g:As-Au-Tb +mp-1202146,TbAs2Au,-5.0477178412,-0.7410966137,0.02448623,0.02448623,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Tb,16.0,A2BC_oC32_64_df_e_f:As-Au-Tb +mp-1097468,CaScIn2,-1.8421685475,1.6181905637,2.06940361,2.06940361,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-In-Sc,4.0,AB2C_oI8_71_a_e_b:Ca-In-Sc +mp-12783,Sr(CdGa)2,-2.26634898,-0.3480559763,0.0,-0.0178309507,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cd-Ga-Sr,5.0,A2B2C_tI10_139_d_e_a:Cd-Ga-Sr +mp-1218528,Sr3(Cd2Ga)2,-2.0186628717,-0.3724149333,0.0249983006,0.0249983006,GGA,Cm,A4B2C3_mC36_8_8a_4a_6a:Cd-Ga-Sr,18.0,A4B2C3_mC36_8_8a_4a_6a:Cd-Ga-Sr +mp-1096106,Sr2CdGa,-0.7130161925,1.1194769798,1.4891818593,1.4891818593,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-Sr +mp-1187072,Sr2CdGa,-2.1807625225,-0.3482693502,0.0214355293,0.0214355293,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ga-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-Ga-Sr +mp-1218329,SrCdGa,-2.2782648617,-0.3981051164,0.0249871492,0.0249871492,GGA,C2/m,ABC_mC12_12_i_i_i:Cd-Ga-Sr,6.0,ABC_mC12_12_i_i_i:Cd-Ga-Sr +mp-1095959,Sc2TlRh,-3.813420885,1.7845514217,2.3696109686,2.3696109686,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Rh-Sc-Tl +mp-867881,ScTlRh2,-6.43779598,-0.5818639821,0.0,-0.0206405146,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sc-Tl,4.0,A2BC_cF16_225_c_a_b:Rh-Sc-Tl +mp-1187540,TlRh3,-5.9681920812,0.1456996079,0.1456996079,0.1456996079,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-Tl,8.0,A3B_hP8_194_h_c:Rh-Tl +mp-1202972,Er2Nb3Ge4,-7.1763203989,-0.7394910478000001,0.0,-0.0987129428,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Er-Ge-Nb,36.0,A2B4C3_oP36_62_d_2cd_cd:Er-Ge-Nb +mp-1187956,Yb2TlSn,-2.9370095725,-0.5741516821,0.0,-0.0015175225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sn-Tl-Yb,,ABC2_cF16_225_a_b_c:Sn-Tl-Yb +mp-1215883,YbPr3Co34,-6.8124271524,-0.0343974004,0.0002161616,0.0002161616,GGA,Cm,A34B3C_mC76_8_10a12b_3a_a:Co-Pr-Yb,,"Invalid WP multiplicities - A34B3C_mC76_8_10a23b_3a_a:Co-Pr-Yb, expected YbPr3Co56 to be YbPr3Co34" +mp-1215870,YbPrCo17,-6.7125172282,-0.0197847782,0.0113852313,0.0113852313,GGA,P6_3/mmc,A17BC_hP38_194_fgjk_c_b:Co-Pr-Yb,,A17BC_hP38_194_fgjk_c_b:Co-Pr-Yb +mp-1202229,Sm5Bi3,-5.1349682584,-0.7456685003,0.0248549909,-0.014150785,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Sm,32.0,A3B5_oP32_62_cd_3cd:Bi-Sm +mp-1188575,Sm5Bi3,-5.1598232494,-0.7705234913,0.0,-0.0390057759,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Sm,16.0,A3B5_hP16_193_g_dg:Bi-Sm +mp-675353,Sm3(Bi7Te12)2,-4.0836981254,-0.5870652555,0.1278341982,0.1278341982,GGA,P1,A14B3C24_aP41_1_14a_3a_24a:Bi-Sm-Te,41.0,A14B3C24_aP41_1_14a_3a_24a:Bi-Sm-Te +mp-1019266,SmTe2,-5.1741749917,-1.5057756844,0.0118940092,0.0118940092,GGA,P4/nmm,AB2_tP6_129_c_ac:Sm-Te,6.0,AB2_tP6_129_c_ac:Sm-Te +mp-1106376,Sm2Te3,-5.4670998435,-1.6936818535,0.0,-0.103255622,GGA,Pnma,A2B3_oP20_62_2c_3c:Sm-Te,20.0,A2B3_oP20_62_2c_3c:Sm-Te +mp-684911,Sm2Te3,-5.4383471425,-1.6649291525,0.028752701,-0.074502921,GGA,I-42d,A2B3_tI80_122_cde_3e:Sm-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_12e:Sm-Te, expected Sm3Te4 to be Sm2Te3" +mp-1104531,Sm2Te5,-4.9440144207,-1.3506284583,0.0413182639,0.0413182639,GGA,Cmcm,A2B5_oC28_63_2c_5c:Sm-Te,14.0,A2B5_oC28_63_2c_5c:Sm-Te +mp-10652,SmTe,-5.417582775,-1.4866367608,0.106175475,-0.0632698531,GGA,Pm-3m,AB_cP2_221_a_b:Sm-Te,2.0,AB_cP2_221_a_b:Sm-Te +mp-342,SmTe,-5.52375825,-1.5928122358,0.0,-0.1694453281,GGA,Fm-3m,AB_cF8_225_a_b:Sm-Te,2.0,AB_cF8_225_a_b:Sm-Te +mp-38292,Sm(BiTe2)2,-4.3294646179,-0.7619234795000001,0.1489821034,0.1489821034,GGA,I-42d,A2BC4_tI28_122_d_a_e:Bi-Sm-Te,14.0,A2BC4_tI28_122_d_a_e:Bi-Sm-Te +mp-1206229,Sm2Bi,-5.0854088,-0.6595216667,0.0253881033,0.0253881033,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Sm,6.0,AB2_tI12_139_e_ce:Bi-Sm +mp-972658,SmBi3,-4.5029481925,-0.4429348112,0.0288451725,0.0288451725,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Sm,4.0,A3B_tI8_139_ad_b:Bi-Sm +mp-978744,SmBi3,-4.497889605,-0.4378762238,0.03390376,0.03390376,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Sm,8.0,A3B_hP8_194_h_c:Bi-Sm +mp-9399,SmTe3,-4.8347804475,-1.2976544937,0.0,-0.1158545927,GGA,Cmcm,AB3_oC16_63_c_3c:Sm-Te,8.0,AB3_oC16_63_c_3c:Sm-Te +mp-1059552,SmBi,-5.02588134,-0.7463437075,0.19721626,-0.0069594778,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Sm,2.0,AB_tP2_123_a_d:Bi-Sm +mp-22873,SmBi,-5.2230976,-0.9435599675,0.0,-0.2041757378,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Sm,2.0,AB_cF8_225_a_b:Bi-Sm +mp-571144,Sm3Te4,-5.4451310343,-1.6267050374,0.0381569254,0.0381569254,GGA,I-43d,A3B4_cI28_220_a_c:Sm-Te,14.0,A3B4_cI28_220_a_c:Sm-Te +mp-1219075,SmBiTe3,-4.663064208,-1.065265619,0.0361218167,0.0361218167,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-Sm-Te,5.0,ABC3_hR15_160_a_a_3a:Bi-Sm-Te +mp-23283,Sm4Bi3,-5.1663429107,-0.8240840636000001,0.0205979175,0.0205979175,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Sm,14.0,A3B4_cI28_220_a_c:Bi-Sm +mp-1093728,Ba2LiIn,-0.94915191,1.1754872092,1.4161994117,1.4161994117,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-In-Li,4.0,A2BC_oI8_71_e_a_b:Ba-In-Li +mp-1214979,Ba3LiIn11,-2.852270178,-0.3233122636,0.0445591636,0.0445591636,GGA,P6_3/mmc,A3B11C_hP30_194_h_fhk_a:Ba-In-Li,30.0,A3B11C_hP30_194_h_fhk_a:Ba-In-Li +mp-1183341,Ba3Li,-1.80381643,0.1126454917,0.1128763677,0.1128763677,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Li,4.0,A3B_tI8_139_ad_b:Ba-Li +mp-569841,Ba19Li44,-1.9057652196,0.0061892247,0.0068342118,0.0068342118,GGA,I-42d,A19B44_tI252_122_ac4e_2d10e:Ba-Li,126.0,"Invalid WP multiplicities - A19B44_tI252_122_2a4c27e_7d75e:Ba-Li, expected Ba59Li157 to be Ba19Li44" +mp-210,BaLi4,-1.9116720847,-0.0007388033,0.0,-0.0007388033,GGA,P6_3/mmc,AB4_hP30_194_h_afhk:Ba-Li,30.0,AB4_hP30_194_h_afhk:Ba-Li +mp-976793,LiEr2Ga,-3.8304440975,-0.3123299702,0.0270040999,0.0270040999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Er-Ga-Li +mp-975788,Pr2AgHg,-3.5399482925,-0.3654363229,0.0,-0.00614194,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Pr,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Pr +mp-861988,PrAgHg2,-2.4189618425,-0.3637562204,0.0,-0.0077611992,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Pr,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Pr +mp-570689,CaInPt,-4.4309922933,-0.8215199833,0.0,-0.0247351206,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-In-Pt,12.0,ABC_oP12_62_c_c_c:Ca-In-Pt +mp-21885,Ca2InPt2,-4.664242704,-0.883212678,0.0,-0.0370027208,GGA,C2/c,A2BC2_mC20_15_f_e_f:Ca-In-Pt,10.0,A2BC2_mC20_15_f_e_f:Ca-In-Pt +mp-21027,CaIn2Pt,-4.0837752588,-0.6887500938000001,0.0,-0.0542472177,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ca-In-Pt,8.0,AB2C_oC16_63_c_f_c:Ca-In-Pt +mp-1102076,EuMgPd,-6.2993127433,-0.62025819,0.0,-0.0774411489,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Mg-Pd,12.0,ABC_oP12_62_c_c_c:Eu-Mg-Pd +mp-1103880,Tm3Ga9Pt2,-4.4216147307,-0.6485692227000001,0.0116710529,0.0116710529,GGA,Immm,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Tm,14.0,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Tm +mp-1216926,Tm6Ga17Pt5,-4.5742263539,-0.6925009424,0.0173821614,0.0173821614,GGA,C2/m,A17B5C6_mC56_12_a8i_d2i_3i:Ga-Pt-Tm,28.0,"Invalid WP multiplicities - A17B5C6_mC56_12_a12i_c3i_4i:Ga-Pt-Tm, expected Tm8Ga25Pt7 to be Tm6Ga17Pt5" +mp-1103049,TmGaPt,-5.6392307233,-1.1142091347,0.0,-0.1403079016,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Tm,12.0,ABC_oP12_62_c_c_c:Ga-Pt-Tm +mp-541062,Ca3GaAs3,-4.2975457689,-1.0086527864,0.0,-0.0187207875,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:As-Ca-Ga,28.0,A3B3C_oP28_62_3c_3c_c:As-Ca-Ga +mp-1070099,Ca(GaAs)2,-4.107697318,-0.6316915710000001,0.0,-0.0148589339,GGA,R-3m,A2BC2_hR15_166_c_a_c:As-Ca-Ga,5.0,A2BC2_hR15_166_c_a_c:As-Ca-Ga +mp-568790,Ca14GaAs11,-4.3159546875,-1.1483855799,0.0,-0.0266715226,GGA,I4_1/acd,A11B14C_tI208_142_bf2g_e3g_a:As-Ca-Ga,104.0,"Invalid WP multiplicities - A11B14C_tI208_142_4b7f21g_6e35g_a:As-Ca-Ga, expected Ca152GaAs102 to be Ca14GaAs11" +mp-17558,Ca5(GaAs3)2,-4.3347740904,-0.9471662538,0.0,-0.0146796225,GGA,Pbam,A6B5C2_oP26_55_g2h_a2g_h:As-Ca-Ga,26.0,"Invalid WP multiplicities - A6B5C2_oP26_55_3g7h_a5g_h:As-Ca-Ga, expected Ca11(GaAs10)2 to be Ca5(GaAs3)2" +mp-1191219,GdRh3,-9.5926585996,-0.5503971371,0.0,-0.0103238008,GGA,P6_3/mmc,AB3_hP24_194_cf_abdk:Gd-Rh,24.0,AB3_hP24_194_cf_abdk:Gd-Rh +mp-1103440,GdZnRh,-8.2783677217,-0.7116431483,0.0,-0.1156526976,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Rh-Zn,12.0,ABC_oP12_62_c_c_c:Gd-Rh-Zn +mp-1184416,Gd2ZnRh,-9.7548119925,-0.5607380025,0.02296006,0.02296006,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Gd-Rh-Zn +mp-1742,GdRh,-11.522568525,-0.80235347,0.0,-0.2622801337,GGA,Pm-3m,AB_cP2_221_a_b:Gd-Rh,2.0,AB_cP2_221_a_b:Gd-Rh +mp-571283,GdRh5,-8.77734776,-0.2944041617,0.0725272631,0.0725272631,GGA,P6/mmm,AB5_hP6_191_a_cg:Gd-Rh,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_2c2g:Gd-Rh, expected GdRh10 to be GdRh5" +mp-20084,GdRh2,-10.3216771083,-0.7200977817,0.0,-0.0857152003,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Rh,6.0,AB2_cF24_227_a_d:Gd-Rh +mp-1202823,Zn9(InSb3)2,-2.516040669,-0.0680955284,0.0394559543,0.0394559543,GGA,P2_12_12_1,A2B6C9_oP136_19_4a_12a_18a:In-Sb-Zn,136.0,A2B6C9_oP136_19_4a_12a_18a:In-Sb-Zn +mp-1183130,Al3Ag,-3.4743664825,0.0429543908,0.0712581869,0.0712581869,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Al,4.0,AB3_cP4_221_a_c:Ag-Al +mp-1228947,AlAg4,-3.002570204,0.0125897647,0.0735773783,0.0735773783,GGA,R-3m,A4B_hR15_166_2c_a:Ag-Al,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ag-Al, expected AlAg6 to be AlAg4" +mp-861934,HoAlAg2,-3.8340001825,-0.3357260058,0.0,-0.0039896592,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Ho,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Ho +mp-1228901,AlAg,-3.32877331,-0.0397073933,0.0169001988,0.0169001988,GGA,P-6m2,AB_hP2_187_a_d:Ag-Al,2.0,AB_hP2_187_a_d:Ag-Al +mp-1228927,AlAg3,-3.0462517425,0.0145592175,0.0907937345,0.0711668096,GGA,Cmmm,A3B_oC8_65_bk_c:Ag-Al,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Ag-Al, expected AlAg5 to be AlAg3" +mp-1228988,AlAg3,-3.137045477,-0.076234517,0.0,-0.0196269249,GGA,R3,A3B_hR60_146_5b_2ab:Ag-Al,20.0,"Invalid WP multiplicities - A3B_hR60_146_9b_2ab:Ag-Al, expected Al5Ag27 to be AlAg3" +mp-985805,AlAg2,-3.212372735,-0.0754767894,0.0,-0.0077127743,GGA,Cmcm,A2B_oC12_63_g_c:Ag-Al,6.0,A2B_oC12_63_g_c:Ag-Al +mp-973635,Lu2ZnIn,-3.6291699675,-0.3658378725,0.0101689,0.0101689,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:In-Lu-Zn +mp-865843,YbNdZn2,-2.5448820975,-0.3380713644,0.0,-0.0174507025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Yb-Zn,,ABC2_cF16_225_a_b_c:Nd-Yb-Zn +mp-19731,CeMgPd,-4.8022811644,-0.5645308261,0.0,-0.0699654461,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:Ce-Mg-Pd +mp-1227660,Ca2ZnGa3,-2.8757650117,-0.4832264387,0.0,-0.0136010711,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Ca-Ga-Zn,6.0,A2B3C_mC12_8_2a_3a_a:Ca-Ga-Zn +mp-1096562,Ca2ZnGa,-0.820792925,1.2539669231,1.6168573855,1.6168573855,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ga-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Ga-Zn +mp-1183463,Ca2ZnGa,-2.433200205,-0.3584403569,0.0044501055,0.0044501055,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Ga-Zn +mp-1227661,Ca2Zn3Ga,-2.173926235,-0.3708384663,0.0,-0.0078258011,GGA,Cm,A2BC3_mC12_8_2a_a_3a:Ca-Ga-Zn,6.0,A2BC3_mC12_8_2a_a_3a:Ca-Ga-Zn +mp-1225762,ErScSi,-5.8553811822,-0.4135458672,0.2208996853,0.2208996853,GGA,Amm2,ABC_oC36_38_abde_df_abce:Er-Sc-Si,18.0,ABC_oC36_38_abde_df_abce:Er-Sc-Si +mp-1212960,Er2Sc3Si4,-6.3331753653,-0.7960512481,0.0,-0.0268200217,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Er-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Er-Sc-Si +mp-979952,Yb3Ti,-2.7390578725,0.3895213417,0.3895213417,0.3895213417,GGA,I4/mmm,AB3_tI8_139_a_bd:Ti-Yb,,AB3_tI8_139_a_bd:Ti-Yb +mp-979963,Yb3Ti,-2.7268521325,0.4017270817,0.4017270817,0.4017270817,GGA,Pm-3m,AB3_cP4_221_a_c:Ti-Yb,,AB3_cP4_221_a_c:Ti-Yb +mp-1200740,Yb(TiAl10)2,-4.2201890363,-0.2096625618,0.0,-0.0141199749,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Ti-Yb,,A20B2C_cF184_227_cfg_d_a:Al-Ti-Yb +mp-1199732,Yb6Ti4Al43,-4.0777238876,-0.2686790115,0.0,-0.0136806419,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Yb +mp-1026791,CeMg14Si,-2.0949734056,0.0151720872,0.1158092943,0.1158092943,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Si, expected CeMg18Si to be CeMg14Si" +mp-1099093,CeMg14Si,-2.0359741619,0.0741713309,0.174808538,0.174808538,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Si, expected CeMg26Si to be CeMg14Si" +mp-1017493,CeMg6Si,-2.60883394,0.0111769956,0.1970734144,0.1970734144,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Si, expected CeMg12Si to be CeMg6Si" +mp-1099326,CeMg6Si,-2.5736820125,0.0463289231,0.2322253419,0.2322253419,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Si,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Si +mp-1192551,Ce6Mg23Si,-2.658730821,-0.064387684,0.0050958332,0.0050958332,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Si,30.0,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Si +mp-3545,CeMgSi2,-5.0840231175,-0.4880218013,0.0,-0.0089845931,GGA,I4_1/amd,ABC2_tI32_141_e_e_2e:Ce-Mg-Si,16.0,ABC2_tI32_141_e_e_2e:Ce-Mg-Si +mp-1214287,Ce2MgSi4,-5.0508732025,-0.0269117054,0.5139271996,0.5139271996,GGA,I4_1/amd,A2BC4_tI56_141_h_c_2h:Ce-Mg-Si,28.0,A2BC4_tI56_141_h_c_2h:Ce-Mg-Si +mp-505296,Ce2MgSi2,-5.424455834,-0.56103695,0.0,-0.0608461768,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:Ce-Mg-Si +mp-19865,Ce(MgSi)2,-4.39655957,-0.399702507,0.0,-0.0051509943,GGA,P4/mmm,AB2C2_tP5_123_a_e_h:Ce-Mg-Si,5.0,AB2C2_tP5_123_a_e_h:Ce-Mg-Si +mp-866016,AcBiAu2,-4.29952732,-0.6721702856,0.0,-0.212900536,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Bi,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Bi +mp-1216545,Tl3Bi,-2.72646487,0.0056397725,0.0539314963,0.0242759117,GGA,P-6m2,AB3_hP4_187_a_bh:Bi-Tl,4.0,AB3_hP4_187_a_bh:Bi-Tl +mp-1006059,Tl3Bi,-2.7803963663,-0.0482917238,0.0,-0.0296555846,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Tl,8.0,AB3_hP8_194_c_h:Bi-Tl +mp-1187502,Tl3Bi,-2.779632745,-0.0475281025,0.0007636213,-0.0288919633,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Tl,4.0,AB3_cP4_221_a_c:Bi-Tl +mp-30469,TlBi2,-3.3975701733,-0.0496963711,0.0,-0.0282333828,GGA,P6/mmm,A2B_hP3_191_c_b:Bi-Tl,3.0,A2B_hP3_191_c_b:Bi-Tl +mp-1216575,Tl4Bi,-2.670019622,-0.0118072787,0.0268261003,0.0268261003,GGA,R-3m,AB4_hR15_166_a_2c:Bi-Tl,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Bi-Tl, expected Tl6Bi to be Tl4Bi" +mp-1096440,Tl2CdBi,-1.5974962075,0.7746700883000001,0.8110995783,0.8110995783,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cd-Tl,4.0,ABC2_oI8_71_a_b_e:Bi-Cd-Tl +mp-1187484,TlBi3,-3.427064685,0.0439629492,0.0812352275,0.0812352275,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Tl,4.0,A3B_cP4_221_c_a:Bi-Tl +mp-30083,TlBi,-3.03881176,0.0627543783,0.1118888905,0.1118888905,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Tl,2.0,AB_cP2_221_a_b:Bi-Tl +mp-1097115,TlCd2Bi,-1.1006167175,0.9116112317,0.9361784877,0.9361784877,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Cd-Tl,4.0,AB2C_oI8_71_a_e_b:Bi-Cd-Tl +mp-1093594,Cd2RhAu,-1.7669947525,1.353997595,1.4750975375,1.4700845047,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cd-Rh,4.0,AB2C_oI8_71_a_e_b:Au-Cd-Rh +mp-1183541,Cd2RhAu,-3.24209229,-0.1210999425,0.0,-0.0050130328,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Cd-Rh,4.0,AB2C_cF16_225_a_c_b:Au-Cd-Rh +mp-1215827,YbGdTe2,-7.2146509,-1.7390653233000002,0.0105343125,0.0105343125,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-Te-Yb,,AB2C_hR12_166_a_c_b:Gd-Te-Yb +mp-1188067,YbGd3,-10.7311990113,0.2107947387,0.2107947387,0.2107947387,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Yb,,A3B_hP8_194_h_c:Gd-Yb +mp-1189945,Yb2Te3,-3.700833824,-1.199006976,0.314683448,0.314683448,GGA,Fddd,A3B2_oF80_70_eh_2f:Te-Yb,,A3B2_oF80_70_eh_2f:Te-Yb +mp-1206896,Yb2Te3,-1.755637416,0.7461894320000001,2.259879856,2.259879856,GGA,P4/mmm,A3B2_tP5_123_ag_g:Te-Yb,,A3B2_tP5_123_ag_g:Te-Yb +mp-1779,YbTe,-4.218028955,-1.8765718683,0.0,-0.8773993883000001,GGA,Fm-3m,AB_cF8_225_a_b:Te-Yb,,AB_cF8_225_a_b:Te-Yb +mp-1077459,YbTe2,-3.8805094833,-1.2717694611,0.0,-0.0207215489,GGA,P4/nmm,A2B_tP6_129_ac_c:Te-Yb,,A2B_tP6_129_ac_c:Te-Yb +mp-1187335,TbDyRh2,-6.852642855,-0.860200685,0.0083057375,0.0083057375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Tb +mp-867338,AcCdAg2,-2.91138348,-0.2340892865,0.0,-0.0093763125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-Cd,4.0,AB2C_cF16_225_a_c_b:Ac-Ag-Cd +mp-865206,TmCdRh2,-5.64672461,-0.6148893792,0.0,-0.0412266363,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Tm +mp-11536,NpRh3,-9.1000277025,-0.3398518797,0.0,-0.3398518797,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Rh,4.0,AB3_cP4_221_a_c:Np-Rh +mp-16471,Np(GeRh)2,-7.927518392,-0.5430281658,0.0,-0.1069248158,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Np-Rh,5.0,A2BC2_tI10_139_e_a_d:Ge-Np-Rh +mp-19914,RbGdTe4,-5.8348899908,-1.2299100099,0.0,-0.0344127442,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Gd-Rb-Te,12.0,ABC4_tP12_125_a_b_m:Gd-Rb-Te +mp-1186906,Rb3Gd,-3.5314716925000003,0.7229594219000001,0.7229594219000001,0.7229594219000001,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Rb,4.0,AB3_cP4_221_a_c:Gd-Rb +mp-1213426,Er5CoBi2,-5.2525239744,-0.5490377113,0.0,-0.02147909,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Bi-Co-Er,32.0,A2BC5_oP32_62_d_c_3cd:Bi-Co-Er +mp-1212883,Er12Co5Bi,-5.5405056606,-0.3074665592,0.0,-0.0305643599,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Er,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Er +mp-1206841,Er6CoBi2,-5.1547437189,-0.4663427283,0.0216907928,0.0216907928,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Er,9.0,A2BC6_hP9_189_c_b_fg:Bi-Co-Er +mp-1070869,ZrCu4Ag,-4.7797430583,-0.1502291728,0.0,-0.0239946843,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Zr,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Zr +mp-1096264,ZrCu2Ag,-2.5848495025,2.3098179908,2.45281642,2.45281642,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cu-Zr,4.0,AB2C_oI8_71_a_e_b:Ag-Cu-Zr +mp-1189825,Tb6RhBr10,-4.9606262818,-1.9782270012,0.0017729327,0.0017729327,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Rh-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Br-Rh-Tb +mp-1203586,Tb5RhBr9,-5.0044636417,-2.0369040857,0.0,-0.0283758016,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Br-Rh-Tb,120.0,A9BC5_tI240_88_9f_f_5f:Br-Rh-Tb +mp-1189645,Tb7RhBr12,-4.9157042295,-1.993643703,0.0,-0.0025688785,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Br-Rh-Tb,20.0,A12BC7_hR60_148_2f_a_bf:Br-Rh-Tb +mp-3398,Ho2Ni2Pb,-5.412611702,-0.525064068,0.0,-0.0547607032,GGA,Cmmm,A2B2C_oC10_65_h_g_a:Ho-Ni-Pb,5.0,A2B2C_oC10_65_h_g_a:Ho-Ni-Pb +mp-1212092,HoNiPb,-5.1007836975,-0.4090528242,0.0285005658,0.0285005658,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ni-Pb,12.0,ABC_oP12_62_c_c_c:Ho-Ni-Pb +mp-568340,Ho5NiPb3,-4.9455960406,-0.5200269028,0.0045988061,0.0045988061,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ho-Ni-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_4d4g_b_g:Ho-Ni-Pb, expected Ho20NiPb3 to be Ho5NiPb3" +mp-1212509,Ho12Ni6Pb,-5.3015459605,-0.3866841926,0.0,-0.0068930052,GGA,Im-3,A12B6C_cI38_204_g_e_a:Ho-Ni-Pb,19.0,A12B6C_cI38_204_g_e_a:Ho-Ni-Pb +mp-862338,Sc2CuRu,-6.981064675,-0.47142782,0.0,-0.059492425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Ru-Sc +mp-11815,SrSbAu,-3.4819716133,-0.4511793822,0.3209102284,0.3209102284,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Au-Sb-Sr,6.0,ABC_hP6_194_a_c_d:Au-Sb-Sr +mp-863251,Sr2SbAu,-3.674761165,-0.9792936283,0.0,-0.0348383629,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Sb-Sr,4.0,ABC2_cF16_225_a_b_c:Au-Sb-Sr +mp-862875,ThGaAu2,-4.8479200025,-0.6004904344,0.016526536,0.016526536,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Th,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Th +mp-1077831,EuScGe,-7.721875455,-0.6510425350000001,0.036963362,0.036963362,GGA,I4/mmm,ABC_tI12_139_e_e_c:Eu-Ge-Sc,6.0,ABC_tI12_139_e_e_c:Eu-Ge-Sc +mp-1214750,Ba(InPt)2,-4.5780923940000005,-0.665170586,0.0,-0.0552659005,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-In-Pt,5.0,AB2C2_tI10_139_a_d_e:Ba-In-Pt +mp-1227995,BaIn3Pt,-3.783351808,-0.534319918,0.0023114265,0.0023114265,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-In-Pt,5.0,AB3C_tI10_107_a_ab_a:Ba-In-Pt +mp-21032,BaIn2Pt,-4.0033996288,-0.6300306988000001,0.0,-0.0335788788,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ba-In-Pt,8.0,AB2C_oC16_63_c_f_c:Ba-In-Pt +mp-1079833,SmCoSb2,-5.739338085,-0.7181114825,0.04414762,0.04414762,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Co-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Co-Sb-Sm +mp-569163,SmCoSb3,-5.520396468,-0.677614938,0.0133743875,0.0133743875,GGA,Pbcm,AB3C_oP40_57_e_2c2de_cd:Co-Sb-Sm,40.0,"Invalid WP multiplicities - AB3C_oP40_57_e_6c6d6e_2c3d:Co-Sb-Sm, expected Sm5(CoSb12)2 to be SmCoSb3" +mp-19991,SrIn4Pd,-3.4257730167,-0.4464213194,0.0,-0.0088736265,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Pd-Sr,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2ac2f_c_c:In-Pd-Sr, expected SrIn7Pd to be SrIn4Pd" +mp-1095684,SrInPd,-3.8599545625,-0.6529348981,0.0,-0.0170502519,GGA,Pnma,ABC_oP12_62_c_c_c:In-Pd-Sr,12.0,ABC_oP12_62_c_c_c:In-Pd-Sr +mp-21024,SrIn2Pd,-3.6899760838,-0.5967904029000001,0.0,-0.0471122942,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Pd-Sr,8.0,A2BC_oC16_63_f_c_c:In-Pd-Sr +mp-20843,Sr2InPd2,-3.965246892,-0.6671600407,0.0,-0.0327672605,GGA,C2/c,AB2C2_mC20_15_e_f_f:In-Pd-Sr,10.0,AB2C2_mC20_15_e_f_f:In-Pd-Sr +mp-1215613,Yb7MgPt4,-3.9920366183,-0.9368640108,0.0,-0.0147999606,GGA,Pm,AB4C7_mP12_6_a_2a2b_3a4b:Mg-Pt-Yb,,AB4C7_mP12_6_a_2a2b_3a4b:Mg-Pt-Yb +mp-1096662,BeZnPt2,-2.5092833575,1.7760724213,2.2091445165,2.2091445165,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Pt-Zn,4.0,AB2C_oI8_71_a_e_b:Be-Pt-Zn +mp-1097557,Be2ZnPt,-2.0336898875,1.6687357775,2.1455800021,2.1455800021,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-Zn,4.0,A2BC_oI8_71_e_a_b:Be-Pt-Zn +mp-977427,Zn2PtRh,-4.5012545625,-0.51252246,0.0,-0.0376948425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Pt-Rh-Zn +mp-1212405,Ho6Nb4Al43,-4.6507074875,-0.3307181655,0.0,-0.0092830025,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Nb,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Nb +mp-1102536,AlCuBr4,-3.6123096,-1.26949363,0.0,-0.0289772279,GGA,P-42c,AB4C_tP12_112_b_n_e:Al-Br-Cu,12.0,AB4C_tP12_112_b_n_e:Al-Br-Cu +mp-39008,AlBr4,-3.238324705,-1.246786875,0.0180042775,0.0180042775,GGA,Fm-3c,AB4_cF120_226_c_i:Al-Br,30.0,AB4_cF120_226_c_i:Al-Br +mp-23219,CuBr2,-3.1215085433,-0.7197541,0.00843329,-0.34670655,GGA,C2/m,A2B_mC6_12_i_a:Br-Cu,3.0,A2B_mC6_12_i_a:Br-Cu +mp-2360071,CuBr2,-3.1299418333,-0.72818739,0.0,-0.35513984,GGA,C2/m,A2B_mC6_12_i_a:Br-Cu,3.0,A2B_mC6_12_i_a:Br-Cu +mp-1147530,CuBr2,-2.92419777,-0.5224433267,0.2057440633,-0.1493957767,GGA,P4/mmm,A2B_tP3_123_e_b:Br-Cu,3.0,A2B_tP3_123_e_b:Br-Cu +mp-1147532,CuBr2,-2.91751043,-0.5157559867,0.2124314033,-0.1427084367,GGA,I4/mmm,A2B_tI6_139_c_a:Br-Cu,3.0,A2B_tI6_139_c_a:Br-Cu +mp-23288,AlBr3,-3.6821541456,-1.5809889406000002,0.0,-0.4121262453,GGA,P2_1/c,AB3_mP16_14_e_3e:Al-Br,16.0,AB3_mP16_14_e_3e:Al-Br +mp-32880,CuBr,-3.384647005,-0.558529505,0.00104182,-0.0123889625,GGA,I-4m2,AB_tI4_119_a_c:Br-Cu,2.0,AB_tI4_119_a_c:Br-Cu +mp-22917,CuBr,-3.38296338,-0.55684588,0.002725445,-0.0107053375,GGA,P4/nmm,AB_tP4_129_c_a:Br-Cu,4.0,AB_tP4_129_c_a:Br-Cu +mp-23227,CuBr,-3.344686415,-0.518568915,0.04100241,0.0275716275,GGA,P6_3/mmc,AB_hP4_194_c_b:Br-Cu,4.0,AB_hP4_194_c_b:Br-Cu +mp-23212,CuBr,-3.32419376,-0.49807626,0.061495065,0.0480642825,GGA,Pa-3,AB_cP16_205_c_c:Br-Cu,16.0,AB_cP16_205_c_c:Br-Cu +mp-22913,CuBr,-3.385688825,-0.5595713250000001,0.0,-0.0134307825,GGA,F-43m,AB_cF8_216_a_c:Br-Cu,2.0,AB_cF8_216_a_c:Br-Cu +mp-570354,CuBr,-3.205221185,-0.379103685,0.18046764,0.1670368575,GGA,Fm-3m,AB_cF8_225_a_b:Br-Cu,2.0,AB_cF8_225_a_b:Br-Cu +mp-1226493,CeZn2Fe,-4.2271995675,0.0034498287,0.2253306825,0.2253306825,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ce-Fe-Zn,4.0,ABC2_tP4_123_a_c_e:Ce-Fe-Zn +mp-13549,CeZnAu,-4.072955485,-0.5840505633,0.0,-0.0895769019,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Ce-Zn,12.0,ABC_oP12_62_c_c_c:Au-Ce-Zn +mp-1077954,Ce(ZnAu2)2,-3.5676427929,-0.4893421679,0.0,-0.0753016657,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Au-Ce-Zn,7.0,A4BC2_tI14_139_h_a_d:Au-Ce-Zn +mp-1183743,CeZnAu2,-3.968560855,-0.5334116638,0.0174870495,0.0174870495,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Zn +mp-982205,Rb3Cd,-0.8972143850000001,0.0689086094,0.081176978,0.081176978,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Rb,4.0,AB3_tI8_139_a_bd:Cd-Rb +mp-975019,Rb3Cd,-0.91186072,0.0542622744,0.066530643,0.066530643,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Rb,4.0,AB3_cP4_221_a_c:Cd-Rb +mp-975028,Rb3Cd,-0.9069383775,0.0591846169,0.0714529855,0.0714529855,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Rb,4.0,AB3_cF16_225_a_bc:Cd-Rb +mp-974981,Rb3Mg,-0.9654087,0.1700618669,0.1731216208,0.1731216208,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Rb,4.0,"Invalid WP multiplicities - AB3_oI8_44_a_b2c:Mg-Rb, expected Rb5Mg to be Rb3Mg" +mp-974940,Rb3Mg,-0.9471294475,0.1883411194,0.1914008733,0.1914008733,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Rb,4.0,AB3_tI8_139_a_bd:Mg-Rb +mp-1186860,Rb3Mg,-0.9581864838,0.1772840831,0.1803438371,0.1803438371,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Rb,8.0,AB3_hP8_194_c_h:Mg-Rb +mp-1186852,Rb3Mg,-0.9582629025,0.1772076644,0.1802674183,0.1802674183,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Rb,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Rb, expected Rb5Mg to be Rb3Mg" +mp-1186819,Rb2Mg,-0.968640565,0.2184755,0.2225551719,0.2225551719,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Rb,6.0,AB2_mC12_12_i_2i:Mg-Rb +mp-1186828,Rb2Mg,-0.9932485583,0.1938675067,0.1979471786,0.1979471786,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Rb,6.0,AB2_mC12_12_i_2i:Mg-Rb +mp-974768,Rb2Mg,-1.0056053967,0.1815106683,0.1855903403,0.1855903403,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Rb,6.0,AB2_oC12_63_c_g:Mg-Rb +mp-1186834,Rb2Mg,-1.018577695,0.16853837,0.1726180419,0.1726180419,GGA,I4/mcm,AB2_tI12_140_a_h:Mg-Rb,6.0,AB2_tI12_140_a_h:Mg-Rb +mp-1040,RbCd13,-0.9725754371,-0.0455682262,0.0,-0.0455682262,GGA,Fm-3c,A13B_cF112_226_bi_a:Cd-Rb,28.0,A13B_cF112_226_bi_a:Cd-Rb +mp-1016325,RbMg7,-1.2851113275,0.2377004753,0.2484096142,0.2484096142,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Rb,8.0,A7B_hP8_187_ajk_d:Mg-Rb +mp-974974,RbMg,-1.09320222,0.1972048413,0.2033243492,0.2033243492,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Rb,6.0,"Invalid WP multiplicities - AB_oC12_38_a2e_bd:Mg-Rb, expected Rb3Mg5 to be RbMg" +mp-1186894,RbMg,-1.1221268733,0.1682801879,0.1743996958,0.1743996958,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Rb,6.0,AB_oC12_38_2ab_a2b:Mg-Rb +mp-1187343,RbMg149,-1.6083058325,-0.0121574224,0.0,-0.0121574224,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Rb,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Rb, expected RbMg315 to be RbMg149" +mp-1026631,RbMg14Cd,-1.4025514056,0.1166576277,0.1563396612,0.1563396612,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Rb, expected RbMg18Cd to be RbMg14Cd" +mp-1026620,RbMg14Cd,-1.3937804369,0.1254285964,0.16511063,0.16511063,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Rb, expected RbMg26Cd to be RbMg14Cd" +mp-1023517,RbMg15,-1.4209418419,0.1406040845,0.1520781619,0.1520781619,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Rb,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Rb, expected RbMg27 to be RbMg15" +mp-1186892,RbMg2,-1.2129622717,0.1807357858,0.1888951297,0.1888951297,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Rb,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Rb, expected RbMg3 to be RbMg2" +mp-1016226,RbMg3,-1.2092599,0.2360836556,0.2452629175,0.2452629175,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Rb,4.0,A3B_oP4_25_abc_d:Mg-Rb +mp-975110,RbMg3,-1.18532491,0.2600186456,0.2691979075,0.2691979075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Rb,8.0,A3B_hP8_194_h_c:Mg-Rb +mp-1017075,RbMg6Cd,-1.2367974162,0.2013406003,0.2530910841,0.2530910841,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Rb, expected RbMg12Cd to be RbMg6Cd" +mp-1017091,RbMg6Cd,-1.2398874025,0.1982506141,0.2500010978,0.2500010978,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Rb, expected RbMg12Cd to be RbMg6Cd" +mp-21238,ThSi,-7.078022025,-0.658433885,0.0,-0.0483207087,GGA,Pnma,AB_oP8_62_c_c:Si-Th,8.0,AB_oP8_62_c_c:Si-Th +mp-1025522,ThTe3,-5.5006509287,-1.2897069462,0.0,-0.2737167484,GGA,P2_1/m,A3B_mP8_11_3e_e:Te-Th,8.0,A3B_mP8_11_3e_e:Te-Th +mp-9521,Th7Te12,-6.2139160005,-1.4972487126,0.0,-0.1972906067,GGA,P-6,A12B7_hP19_174_2j2k_ajk:Te-Th,19.0,"Invalid WP multiplicities - A12B7_hP19_174_2j3k_ajk:Te-Th, expected Th7Te15 to be Th7Te12" +mp-1921,ThTe,-6.589930355,-1.3113482833,0.0,-0.1260263858,GGA,Pm-3m,AB_cP2_221_a_b:Te-Th,2.0,AB_cP2_221_a_b:Te-Th +mp-2755,SiTe2,-4.1416713267,-0.2376947211,0.0,-0.1948385823,GGA,P-3m1,AB2_hP3_164_a_d:Si-Te,3.0,AB2_hP3_164_a_d:Si-Te +mp-2844,ThSi2,-6.6578365533,-0.5696717833,0.0029390733,-0.13071586,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Th,6.0,A2B_tI12_141_e_a:Si-Th +mp-7497,ThSi2,-6.6607756267,-0.5726108567,0.0,-0.1336549333,GGA,P6/mmm,A2B_hP3_191_c_b:Si-Th,3.0,A2B_hP3_191_c_b:Si-Th +mp-20617,Th3Si2,-6.181386713,0.437055449,1.069670017,0.963802557,GGA,P4/mbm,A2B3_tP10_127_g_bg:Si-Th,10.0,A2B3_tP10_127_g_bg:Si-Th +mp-1079146,Th3Si2,-7.25105673,-0.632614568,0.0,-0.10586746,GGA,P4/mbm,A2B3_tP10_127_g_ah:Si-Th,10.0,A2B3_tP10_127_g_ah:Si-Th +mp-1025053,ThSiTe,-6.34087868,-1.0133846222,0.0154178331,0.0154178331,GGA,I4/mmm,ABC_tI12_139_c_e_e:Si-Te-Th,6.0,ABC_tI12_139_c_e_e:Si-Te-Th +mp-31135,Si19Te8,-4.8396403567,-0.0904740709,0.0151680274,0.0151680274,GGA,R3c,A19B8_hR162_161_a6b_2a2b:Si-Te,54.0,"Invalid WP multiplicities - A19B8_hR162_161_a8b_2a2b:Si-Te, expected Si25Te8 to be Si19Te8" +mp-867767,BeSiRh2,-6.785428475,-0.8120918162,0.0,-0.1179923919,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Rh-Si,4.0,AB2C_cF16_225_a_c_b:Be-Rh-Si +mp-972828,Cu3Si,-4.4556679775,-0.0249334675,0.031550779,0.031550779,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Si,4.0,A3B_tI8_139_ad_b:Cu-Si +mp-867317,Cu3Si,-4.472173235,-0.041438725,0.0150455215,0.0150455215,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Si,8.0,A3B_hP8_194_h_c:Cu-Si +mp-567271,Np(CuSi)2,-6.482627988,-0.0832621717,0.050834703,0.050834703,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Np-Si +mp-1213668,Cu7Si6,-1.9336753385,2.7775827285,2.8181355208000003,2.8181355208000003,GGA,P-1,A7B6_aP13_2_a3i_3i:Cu-Si,13.0,A7B6_aP13_2_a3i_3i:Cu-Si +mp-14266,Cu15Si4,-4.4378451105,-0.0594571016,0.0,-0.0245613332,GGA,I-43d,A15B4_cI76_220_ae_c:Cu-Si,38.0,A15B4_cI76_220_ae_c:Cu-Si +mp-1206157,Cu7Si2,-4.3853361244,0.0085619589,0.0671382145,0.0671382145,GGA,P-3m1,A7B2_hP9_164_ac2d_d:Cu-Si,9.0,A7B2_hP9_164_ac2d_d:Cu-Si +mp-866209,Pm2SiNi,-5.5498504875,-0.3732156487,0.0,-0.05759916,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Ni-Pm-Si +mp-1187629,YbPaIr2,-7.8702502,-0.6874648750000001,0.0,-0.099774109,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pa-Yb,,A2BC_cF16_225_c_a_b:Ir-Pa-Yb +mp-30741,PaIr3,-9.8725479275,-0.8650561275,0.0,-0.8650561275,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Pa,4.0,A3B_cP4_221_c_a:Ir-Pa +mp-631592,Re2RuBr,-7.914591595,1.014529715,1.3185824917,1.3185824917,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Br-Re-Ru,4.0,AB2C_cF16_225_a_c_b:Br-Re-Ru +mp-974455,Re3Ru,-11.714956015,-0.0629599912,0.0,-0.033764935,GGA,Imm2,A3B_oI8_44_ac_b:Re-Ru,4.0,A3B_oI8_44_ac_b:Re-Ru +mp-974625,Re3Ru,-11.7043104625,-0.0523144387,0.0106455525,-0.0231193825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-Ru,8.0,A3B_hP8_194_h_c:Re-Ru +mp-631435,ReRuBr,-6.6309408433,1.1263785083,1.5148997431,1.5148997431,GGA,F-43m,ABC_cF12_216_a_b_c:Br-Re-Ru,3.0,ABC_cF12_216_a_b_c:Br-Re-Ru +mp-862630,ReRu3,-10.15451887,-0.0875851687,0.0,-0.066598505,GGA,P6_3/mmc,AB3_hP8_194_c_h:Re-Ru,8.0,AB3_hP8_194_c_h:Re-Ru +mp-979923,SmMn3,-7.7050101962,0.3461478066,0.3461478066,0.3461478066,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Sm,8.0,A3B_hP8_194_h_c:Mn-Sm +mp-569487,Sm2(MnBi2)3,-5.6721597068000005,-0.220691259,0.1224214565,0.1224214565,GGA,P2_1/m,A6B3C2_mP22_11_6e_3e_2e:Bi-Mn-Sm,22.0,"Invalid WP multiplicities - A6B3C2_mP22_11_10e_6e_4e:Bi-Mn-Sm, expected Sm2Mn3Bi5 to be Sm2(MnBi2)3" +mp-1193387,Sm6Mn23,-8.0778653438,0.1648197778,0.1648197778,0.1648197778,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Sm,29.0,A23B6_cF116_225_ad2f_e:Mn-Sm +mp-1102799,SmMn2,-7.5348909133,0.1459813264,0.1459813264,0.1459813264,GGA,Cmcm,A2B_oC24_63_acg_f:Mn-Sm,12.0,"Invalid WP multiplicities - A2B_oC24_63_a2c3g_f:Mn-Sm, expected Sm2Mn9 to be SmMn2" +mp-1095689,SmMn2,-7.5331350458,0.1477371939,0.1477371939,0.1477371939,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Sm,12.0,A2B_hP12_194_ah_f:Mn-Sm +mp-1197167,Nd6Fe13Ag,-7.0959542535,-0.0183684371,0.0071679091,0.0071679091,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Ag-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Ag-Fe-Nd +mp-1184294,FeAg3,-3.9029498962,0.3389724088,0.3389724088,0.3389724088,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Fe,8.0,A3B_hP8_194_h_c:Ag-Fe +mp-973533,FeAg3,-3.8951503925,0.3467719125,0.3467719125,0.3467719125,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Fe,4.0,A3B_cF16_225_ac_b:Ag-Fe +mp-1184230,Fe3Ag,-6.7186275275,0.3420273808,0.3420273808,0.3420273808,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Fe,4.0,AB3_cP4_221_a_c:Ag-Fe +mp-1224956,FeAg,-5.24188692,0.4094016867,0.4094016867,0.4094016867,GGA,R-3m,AB_hR6_166_a_b:Ag-Fe,2.0,AB_hR6_166_a_b:Ag-Fe +mp-1187837,YbCe3,-4.598064095,0.2366548413,0.2366548413,0.2366548413,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Yb,,A3B_hP8_194_h_c:Ce-Yb +mp-1187737,YbCe3,-4.630053135,0.2046658012,0.2046658012,0.2046658012,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Yb,,A3B_cP4_221_c_a:Ce-Yb +mp-1188063,Yb3Ce,-2.41941977,0.2185587287,0.2185587287,0.2185587287,GGA,Fm-3m,AB3_cF16_225_a_bc:Ce-Yb,,AB3_cF16_225_a_bc:Ce-Yb +mp-1187622,YbCeRh2,-6.25798006,-0.7076517662,0.0,-0.0178672875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Rh-Yb,,AB2C_cF16_225_a_c_b:Ce-Rh-Yb +mp-1225995,CoRe,-9.699577445,0.076845045,0.1217251999999999,0.1217251999999999,GGA,P-6m2,AB_hP2_187_a_d:Co-Re,2.0,AB_hP2_187_a_d:Co-Re +mp-1096523,Nb2CoRe,-5.8649039475,4.0739598175,4.2295180676,4.2295180676,GGA,C2,AB2C_mC8_5_a_2a_a:Co-Nb-Re,4.0,AB2C_mC8_5_a_2a_a:Co-Nb-Re +mp-1226041,Co4Re,-7.883156614,0.292403059,0.310355121,0.310355121,GGA,R-3m,A4B_hR15_166_2c_a:Co-Re,,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-Re, expected Co6Re to be Co4Re" +mp-865960,CoRe3,-11.17779507,-0.0673202325,0.0,-0.0673202325,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Re,8.0,AB3_hP8_194_c_h:Co-Re +mp-1097143,Be2CoRu,-2.9590938775,3.0062926387,3.2837631088,3.2837631088,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Co-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Co-Ru +mp-1183807,Co3Ru,-7.5373653825,0.1124735988,0.1124735988,0.1124735988,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Ru,8.0,A3B_hP8_194_h_c:Co-Ru +mp-1225997,CoRu,-8.040371115,0.1509890525,0.1509890525,0.1509890525,GGA,P-6m2,AB_hP2_187_a_d:Co-Ru,2.0,AB_hP2_187_a_d:Co-Ru +mp-1226024,Co4Ru,-7.40806822,0.133466524,0.133466524,0.133466524,GGA,R-3m,A4B_hR15_166_2c_a:Co-Ru,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-Ru, expected Co6Ru to be Co4Ru" +mp-864974,Hf2CuOs,-9.2380521475,-0.4278141075,0.0125919637,0.0125919637,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Hf-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Hf-Os +mp-1096656,Ta2CrRe,-6.826772625,4.6265098537,4.8770590125,4.7987908013,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Cr-Re-Ta +mp-1186772,Ta2CrRe,-11.7038316375,-0.2505491588,0.0,-0.0782682112,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Re-Ta,4.0,ABC2_cF16_225_a_b_c:Cr-Re-Ta +mp-1097518,TaCr2Re,-6.3500392575,4.5520606813,4.6773352606,4.6773352606,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Re-Ta,4.0,A2BC_oI8_71_e_a_b:Cr-Re-Ta +mp-1097630,TaCrRe2,-6.8708507625,4.7291191050000005,4.8543936844,4.8543936844,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Re-Ta,4.0,AB2C_oI8_71_a_e_b:Cr-Re-Ta +mp-1183703,CrRe3,-11.6135573325,0.1330999238,0.1330999238,0.1330999238,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Re,4.0,AB3_cP4_221_a_c:Cr-Re +mp-30644,Hf3Nb2Ga3,-7.8528261531,-0.4580179984,0.0,-0.0568797797,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Ga-Hf-Nb,16.0,A3B3C2_hP16_193_g_g_d:Ga-Hf-Nb +mp-862312,LiBePd2,-4.55426344,-0.5522386021,0.0,-0.03702957,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Be-Li-Pd +mp-21164,SrGePt,-5.0253522892,-0.8974674131,0.0,-0.1838637958,GGA,P2_13,ABC_cP12_198_a_a_a:Ge-Pt-Sr,12.0,ABC_cP12_198_a_a_a:Ge-Pt-Sr +mp-1068239,SrGe3Pt,-4.947266292,-0.6213242243,0.0,-0.0828437765,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-Pt-Sr,5.0,A3BC_tI10_107_ab_a_a:Ge-Pt-Sr +mp-1213372,Dy5CoBi2,-5.2910025816,-0.5630987997,0.0,-0.0253717151,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Bi-Co-Dy,32.0,A2BC5_oP32_62_d_c_3cd:Bi-Co-Dy +mp-1212904,Dy5Co2Bi,-5.48714112,-0.350758755,0.0309989299,0.0309989299,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Co-Dy,16.0,AB2C5_tI32_140_a_h_cl:Bi-Co-Dy +mp-1213103,Dy12Co5Bi,-5.5396114006,-0.2805269458,0.0,-0.0238574969,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Dy,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Dy +mp-1220689,Nb(ZnGa)3,-3.4686190714,-0.1879299375,0.0,-0.0116639557,GGA,R-3m,A3BC3_hR21_166_e_a_d:Ga-Nb-Zn,7.0,A3BC3_hR21_166_e_a_d:Ga-Nb-Zn +mp-30798,NbZn2,-4.3687223208,-0.1617915675,0.0,-0.0084742857,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Nb-Zn,24.0,"Invalid WP multiplicities - AB2_hP24_194_ef_f2gh:Nb-Zn, expected Nb4Zn11 to be NbZn2" +mp-640041,NbZn16,-1.8261141476,-0.0462786888,0.0,-0.0077294853,GGA,Cmcm,AB16_oC68_63_c_ac2fg2h:Nb-Zn,34.0,"Invalid WP multiplicities - AB16_oC68_63_c_2a2c7f4g14h:Nb-Zn, expected NbZn82 to be NbZn16" +mp-953,NbZn3,-3.6339680825,-0.163834115,0.0,-0.0371089571,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Zn,4.0,AB3_cP4_221_a_c:Nb-Zn +mp-1104372,Nb6Zn7,-5.4776018085,-0.1371375385,0.0,-0.0064597339,GGA,R-3m,A6B7_hR39_166_3c_ah:Nb-Zn,13.0,A6B7_hR39_166_3c_ah:Nb-Zn +mp-569983,Ni2PdSe2,-5.192104049,-0.4457084239,0.0147119954,0.0147119954,GGA,I4/mmm,A2BC2_tI40_139_k_abc_hi:Ni-Pd-Se,20.0,"Invalid WP multiplicities - A2BC2_tI40_139_k_abc_2h3i:Ni-Pd-Se, expected Ni2PdSe5 to be Ni2PdSe2" +mp-1184837,HoMg2Sc,-3.57631933,-0.0474598112,0.0109748612,0.0109748612,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Sc,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Sc +mp-1207700,Yb3(Co2Sn)4,-5.3991264037,-0.2308827623,0.051858481,0.051858481,GGA,P6_3mc,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Yb,,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Yb +mp-1217734,Yb9Co13Sn38,-4.6079042643,-0.2974319918,0.0177862296,0.0177862296,GGA,Pmmm,A13B38C9_oP120_47_3Ai_2Aahluv3w3x3y3z_3jorxy:Co-Sn-Yb,,"Invalid WP multiplicities - A13B38C9_oP120_47_24Ai_12Aah2l4u4v12w12x12y12z_6j2o2r2x4y:Co-Sn-Yb, expected Yb22Co97Sn163 to be Yb9Co13Sn38" +mp-1198658,Yb3Co4Sn13,-4.5757732045,-0.3169466977,0.0018858283,0.0018858283,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Sn-Yb,,A4B13C3_cP40_223_e_ak_c:Co-Sn-Yb +mp-569975,Yb3CoSn6,-4.0600729725,-0.481615596,0.0,-0.0084747255,GGA,Cmcm,AB6C3_oC40_63_c_2c2f_cf:Co-Sn-Yb,,"Invalid WP multiplicities - AB6C3_oC40_63_c_2c6f_2c3f:Co-Sn-Yb, expected Yb8CoSn14 to be Yb3CoSn6" +mp-610738,Zr(InBr3)2,-4.1002678161,-1.5036858083,0.0,-0.0352111675,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Br-In-Zr,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_4e5h_d_a:Br-In-Zr, expected Zr(InBr14)2 to be Zr(InBr3)2" +mp-1187574,YbMgRh2,-5.0076992925,-0.5405732750000001,0.0,-0.0048185975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Yb,,AB2C_cF16_225_a_c_b:Mg-Rh-Yb +mp-865148,PaAlTc2,-8.854720525,-0.35934093,0.0,-0.0485321375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Al-Pa-Tc +mp-1184673,Ho2ZnTc,-5.36739356,-0.1710934863,0.0810436069,0.0810436069,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Tc-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Tc-Zn +mp-1185058,LaPrMg2,-3.3366858375,-0.1073175975,0.004222065,0.004222065,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:La-Mg-Pr +mp-1093720,Al2TcRh,-3.7713735775,2.5326510412000003,3.2768213782,3.2768213782,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Rh-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Rh-Tc +mp-1181563,Eu2Mn5Al12,-6.1191048184,-0.2627369226,0.0478587953,0.0478587953,GGA,R-3m,A12B2C5_hR57_166_fh_c_cd:Al-Eu-Mn,19.0,A12B2C5_hR57_166_fh_c_cd:Al-Eu-Mn +mp-1096308,AlFeRu2,-4.480228005,3.210872525,3.547608,3.547608,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Fe-Ru,4.0,ABC2_oI8_71_a_b_e:Al-Fe-Ru +mp-1037,PrPt5,-6.5517081483,-0.6956127558,0.0,-0.157529095,GGA,P6/mmm,AB5_hP6_191_a_cg:Pr-Pt,6.0,AB5_hP6_191_a_cg:Pr-Pt +mp-570042,PrAlPt,-5.8953190283,-1.0294473933,0.0,-0.1233588742,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pr-Pt,12.0,ABC_oP12_62_c_c_c:Al-Pr-Pt +mp-570734,Pr3Pt4,-6.5724557979,-1.0542771486,0.0189719129,0.0189719129,GGA,R-3,A3B4_hR42_148_f_abf:Pr-Pt,14.0,"Invalid WP multiplicities - A3B4_hR42_148_f_ab2f:Pr-Pt, expected Pr3Pt7 to be Pr3Pt4" +mp-1106063,Pr7Pt3,-5.889845011,-0.7218709865,0.0,-0.0429499468,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Pr-Pt,20.0,A7B3_hP20_186_b2c_c:Pr-Pt +mp-1078557,PrPt,-6.5372712487,-1.1112517112,0.0,-0.1190783525,GGA,Pnma,AB_oP8_62_c_c:Pr-Pt,8.0,AB_oP8_62_c_c:Pr-Pt +mp-12607,PrPt,-6.5324755025,-1.106455965,0.0047957463,-0.1142826062,GGA,Cmcm,AB_oC8_63_c_c:Pr-Pt,4.0,AB_oC8_63_c_c:Pr-Pt +mp-1209426,Pr4Pt,-5.064917213,-0.025965945,0.4552813793,0.4552813793,GGA,Fd-3m,A4B_cF40_227_e_a:Pr-Pt,10.0,A4B_cF40_227_e_a:Pr-Pt +mp-1061,PrPt2,-6.6636363267,-1.0225788617,0.0,-0.0987251286,GGA,Fd-3m,AB2_cF24_227_a_d:Pr-Pt,6.0,AB2_cF24_227_a_d:Pr-Pt +mp-1104177,Pr3Pt2,-6.202224834,-0.905228053,0.0113332959,0.0113332959,GGA,R-3,A3B2_hR45_148_acf_f:Pr-Pt,15.0,A3B2_hR45_148_acf_f:Pr-Pt +mp-12598,PrPt3,-6.55570192,-0.8071254912,0.0519703175,0.0519703175,GGA,Pm-3m,AB3_cP4_221_a_c:Pr-Pt,4.0,AB3_cP4_221_a_c:Pr-Pt +mp-1186479,Pm2SiPt,-5.9735139325,-0.7241299337,0.0,-0.3377389297,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Pt-Si,4.0,A2BC_cF16_225_c_a_b:Pm-Pt-Si +mp-1187128,Sr3Ni,-2.33596071,0.37619355,0.37619355,0.37619355,GGA,Pm-3m,AB3_cP4_221_a_c:Ni-Sr,4.0,AB3_cP4_221_a_c:Ni-Sr +mp-1217970,SrSiNi,-4.6939378833,-0.3956218289,0.0371664096,0.0371664096,GGA,P-6m2,ABC_hP3_187_a_c_f:Ni-Si-Sr,3.0,ABC_hP3_187_a_c_f:Ni-Si-Sr +mp-1218730,Sr2Si3Ni,-4.6236133917,-0.3844337789,0.0577454629,0.0577454629,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Ni-Si-Sr,6.0,AB3C2_hP6_187_a_bcd_i:Ni-Si-Sr +mp-1069139,SrSi3Ni,-5.156341326,-0.4072244813,0.0,-0.023138483,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ni-Si-Sr,5.0,AB3C_tI10_107_a_ab_a:Ni-Si-Sr +mp-19753,Gd(SiPd)2,-7.971161056,-0.913856672,0.0,-0.182935951,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Pd-Si +mp-1224641,GdSiPd,-9.109709445,-0.882602085,0.0,-0.0077019967,GGA,C2/m,ABC_mC12_12_i_i_i:Gd-Pd-Si,6.0,ABC_mC12_12_i_i_i:Gd-Pd-Si +mp-622508,GdSi2Rh3,-8.855849643300001,-1.0192359917,0.0,-0.0577508004,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Gd-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:Gd-Rh-Si +mp-21240,Gd(SiRh)2,-9.038832954,-1.107758146,0.0,-0.1812153213,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Rh-Si +mp-1025413,ThSi2Ni,-6.832599645,-0.8214418975000001,0.0,-0.0890322387,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Th,8.0,AB2C_oC16_63_c_2c_c:Ni-Si-Th +mp-5682,Th(SiNi)2,-6.793242474,-0.82828894,0.0,-0.0943350838,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Th +mp-1217306,Th2Si3Ni,-6.9094834683,-0.7621822567000001,0.0049236367,0.0049236367,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Ni-Si-Th,6.0,AB3C2_hP6_187_a_bcd_i:Ni-Si-Th +mp-1077789,ThSiNi,-7.0319022517,-0.8254645983000001,0.0,-0.1040641943,GGA,I4_1md,ABC_tI12_109_a_a_a:Ni-Si-Th,6.0,ABC_tI12_109_a_a_a:Ni-Si-Th +mp-1184733,GdTh3,-9.0122005425,0.067223705,0.067223705,0.067223705,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Th,4.0,AB3_cP4_221_a_c:Gd-Th +mp-1184613,GdThRu2,-10.39191319,-0.3822167975,0.0,-0.0177719813,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ru-Th,4.0,AB2C_cF16_225_a_c_b:Gd-Ru-Th +mp-1097539,AgPd2Pb,-2.6728544025,1.5533872708,1.7686628865,1.7686628865,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Pb-Pd +mp-1215074,Ag3Pd13Pb6,-4.6587188235,-0.1990818253,0.0511564776,0.0511564776,GGA,P3_121,A3B6C13_hP66_152_ac_3c_a2b5c:Ag-Pb-Pd,66.0,A3B6C13_hP66_152_ac_3c_a2b5c:Ag-Pb-Pd +mp-10965,DyAgSb2,-4.6310239725,-0.7066876417,0.0,-0.0514790158,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Ag-Dy-Sb,8.0,ABC2_tP8_129_a_c_bc:Ag-Dy-Sb +mp-1206934,Dy2AgSb3,-1.879829405,2.1923594956,3.0702701933,3.0702701933,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-Dy-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-Dy-Sb +mp-861977,PaGaNi2,-6.421333365,-0.3955748544,0.0043590333,0.0043590333,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Pa,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Pa +mp-976762,NiAg3,-3.384484015,0.1849671575,0.1849671575,0.1849671575,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Ni,4.0,A3B_tI8_139_ad_b:Ag-Ni +mp-976772,NiAg3,-3.3798100125,0.18964116,0.18964116,0.18964116,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Ni,4.0,A3B_cP4_221_c_a:Ag-Ni +mp-1100764,Ni3Ag,-4.8100301175,0.2332113933,0.2332113933,0.2332113933,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Ni,4.0,AB3_tI8_139_a_bd:Ag-Ni +mp-976804,NiAgTe2,-3.992407275,-0.2675811575,0.1112607308,0.1112607308,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Ni-Te,4.0,ABC2_hR12_160_a_a_2a:Ag-Ni-Te +mp-1187563,YbDyPt2,-5.7547567925,-1.1825913525,0.0,-0.0084177295,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Pt-Yb,,AB2C_cF16_225_a_c_b:Dy-Pt-Yb +mp-608517,EuSnPt,-7.71302771,-0.9337920517,0.0,-0.1627386441,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Pt-Sn,12.0,ABC_oP12_62_c_c_c:Eu-Pt-Sn +mp-27833,Tl2TeCl6,-3.3311549767,-1.2245091826,0.0,-0.0249584796,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Te-Tl,9.0,A6BC2_cF36_225_e_a_c:Cl-Te-Tl +mp-1206058,TlCl3,-3.10374676,-1.1266834783,0.0,-0.2052409937,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Tl,8.0,A3B_mC16_12_ij_g:Cl-Tl +mp-726693,TlCl3,-2.9657823844,-0.9887191027,0.1379643756,-0.0672766181,GGA,Pnma,A3B_oP16_62_cd_c:Cl-Tl,16.0,A3B_oP16_62_cd_c:Cl-Tl +mp-1077305,TlCl2,-2.3355794417,-0.3156739528,0.9129160267,0.8926909695,GGA,C2/m,A2B_mC12_12_2i_i:Cl-Tl,6.0,A2B_mC12_12_2i_i:Cl-Tl +mp-27205,TlCl2,-3.2484954683,-1.2285899794,0.0,-0.0202250571,GGA,I4_1/a,A2B_tI24_88_f_ab:Cl-Tl,12.0,A2B_tI24_88_f_ab:Cl-Tl +mp-571079,TlCl,-3.4102810425,-1.3046911392,0.0193110025,-0.2432660746,GGA,Cmcm,AB_oC8_63_c_c:Cl-Tl,4.0,AB_oC8_63_c_c:Cl-Tl +mp-23167,TlCl,-3.38272385,-1.2771339467,0.046868195,-0.2157088821,GGA,Pm-3m,AB_cP2_221_a_b:Cl-Tl,2.0,AB_cP2_221_a_b:Cl-Tl +mp-569639,TlCl,-3.429592045,-1.3240021417,0.0,-0.2625770771,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Tl,2.0,AB_cF8_225_a_b:Cl-Tl +mp-983458,Tl3Cl,-2.7056671375,-0.4715506125,0.1904504583,0.1904504583,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-Tl,8.0,AB3_hP8_194_c_h:Cl-Tl +mp-1187500,Tl3Cl,-2.70360509,-0.469488565,0.1925125058,0.1925125058,GGA,Pm-3m,AB3_cP4_221_a_c:Cl-Tl,4.0,AB3_cP4_221_a_c:Cl-Tl +mp-680294,Tl2Cl3,-3.3278893322,-1.2737100775,0.0,-0.0069552332,GGA,Pnma,A3B2_oP160_62_6c9d_2c7d:Cl-Tl,160.0,"Invalid WP multiplicities - A3B2_oP160_62_23c66d_8c52d:Cl-Tl, expected Tl112Cl155 to be Tl2Cl3" +mp-1120770,Tl2Cl3,-3.186817232,-1.1326379773,0.1410721002,0.134116867,GGA,R-3m,A3B2_hR15_166_ac_c:Cl-Tl,5.0,A3B2_hR15_166_ac_c:Cl-Tl +mp-1079780,LaHgPd,-4.1948200233,-0.7216302633,0.0,-0.0594132033,GGA,P-62m,ABC_hP9_189_f_g_bc:Hg-La-Pd,9.0,ABC_hP9_189_f_g_bc:Hg-La-Pd +mp-12465,Co(TePd)2,-5.048029729,-0.2970910887,0.163983046,0.163983046,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Pd-Te,10.0,AB2C2_oI20_72_a_j_j:Co-Pd-Te +mp-1205648,Rb2NiAs2,-3.808825912,-0.396937585,0.0,-0.0528913931,GGA,Cmcm,A2BC2_oC20_63_g_a_2c:As-Ni-Rb,10.0,A2BC2_oC20_63_g_a_2c:As-Ni-Rb +mp-865743,Ga2IrRh,-6.108950875,-0.5442173512,0.0,-0.0047503525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Ga-Ir-Rh +mp-1183895,Eu2GaHg,-6.4669757675,-0.5055307706000001,0.007578185,0.007578185,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Ga-Hg,4.0,A2BC_cF16_225_c_a_b:Eu-Ga-Hg +mp-1184013,GaHg3,-0.91819934,0.0665849394,0.0665849394,0.0665849394,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Hg,4.0,AB3_tI8_139_a_bd:Ga-Hg +mp-1184024,GaHg3,-0.9197065338,0.0650777456,0.0650777456,0.0650777456,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Hg,8.0,AB3_hP8_194_c_h:Ga-Hg +mp-1183987,GaHg3,-0.91556042,0.0692238594,0.0692238594,0.0692238594,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Hg,4.0,AB3_cF16_225_a_bc:Ga-Hg +mp-1184268,Ga3Hg,-2.27198827,0.0750038381,0.0750038381,0.0750038381,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Hg,4.0,A3B_tI8_139_ad_b:Ga-Hg +mp-1184289,Ga3Hg,-2.2599167638,0.0870753444,0.0870753444,0.0870753444,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Hg,8.0,A3B_hP8_194_h_c:Ga-Hg +mp-11697,TaSb2,-6.9769647433,-0.2717047067,0.0,-0.1226723613,GGA,C2/m,A2B_mC12_12_2i_i:Sb-Ta,6.0,A2B_mC12_12_2i_i:Sb-Ta +mp-568221,Ta5Sb4,-8.4029783622,0.0197875389,0.2681747811,0.223018732,GGA,I4/m,A4B5_tI18_87_h_ah:Sb-Ta,9.0,A4B5_tI18_87_h_ah:Sb-Ta +mp-2598,Ta5Sb4,-8.6711531433,-0.2483872422,0.0,-0.0451560491,GGA,I4/m,A4B5_tI18_87_h_ah:Sb-Ta,9.0,A4B5_tI18_87_h_ah:Sb-Ta +mp-31459,TaCoSb,-7.8864738433,-0.1881082883,0.0984535746,0.0984535746,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Sb-Ta,3.0,ABC_cF12_216_c_a_b:Co-Sb-Ta +mp-541,Ta3Sb,-10.0689004012,-0.1433168688,0.0,-0.003599045,GGA,Pm-3n,AB3_cP8_223_a_c:Sb-Ta,8.0,AB3_cP8_223_a_c:Sb-Ta +mp-1187254,TaSb3,-5.6771046525,0.384090685,0.587869215,0.587869215,GGA,Fm-3m,A3B_cF16_225_ac_b:Sb-Ta,4.0,A3B_cF16_225_ac_b:Sb-Ta +mp-1218850,Sr2CdAu3,-3.0121718283,-0.6582513839,0.0124873617,0.0124873617,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Au-Cd-Sr,6.0,A3BC2_mC12_8_3a_a_2a:Au-Cd-Sr +mp-1095513,SrCdAu,-2.56604028,-0.6039518756000001,0.0,-0.0497658961,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Cd-Sr,12.0,ABC_oP12_62_c_c_c:Au-Cd-Sr +mp-1097215,SrCdAu2,-1.77628524,0.5137515633,1.0746695962,1.0746695962,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Sr,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Sr +mp-1206259,TmMgAu,-3.7969589822,-0.6802931578,0.0,-0.0691505085,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Mg-Tm,9.0,ABC_hP9_189_ad_g_f:Au-Mg-Tm +mp-865225,TmMgAu2,-3.948307995,-0.7923381267,0.0,-0.0362769612,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Tm,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Tm +mp-1096350,FeTc2Ge,-5.1380881375,3.3154936013,3.3905630650000003,3.3765663667,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Ge-Tc,4.0,ABC2_oI8_71_a_b_e:Fe-Ge-Tc +mp-1184276,FeTc2Ge,-8.5286512025,-0.0750694638,0.0,-0.0139966983,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ge-Tc,4.0,ABC2_cF16_225_a_b_c:Fe-Ge-Tc +mp-977562,NdCdAu2,-3.708606,-0.6489057019000001,0.0,-0.0559266304,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Nd +mp-1209833,NdCdAu,-3.6340820856,-0.6457756881000001,0.0,-0.0369777746,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Nd,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Nd +mp-1207149,Nd2CdAu2,-4.110231978,-0.708842253,0.0019406608,0.0019406608,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Cd-Nd,10.0,A2BC2_tP10_127_g_a_h:Au-Cd-Nd +mp-1186608,PmLuZn2,-3.2793095425,-0.3315645269,0.0,-0.0438882471,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Pm-Zn +mp-1023139,CsCaMg6,-1.3069036744,0.2559316446,0.3080565775,0.3080565775,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Cs-Mg, expected CsCaMg12 to be CsCaMg6" +mp-1023288,CsCaMg6,-1.3206020675,0.2422332515,0.2943581843,0.2943581843,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Cs-Mg, expected CsCaMg12 to be CsCaMg6" +mp-1028231,CsCaMg14,-1.4180176431,0.1635400414,0.201926655,0.201926655,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Cs-Mg, expected CsCaMg18 to be CsCaMg14" +mp-1028191,CsCaMg14,-1.4204358331,0.1611218514,0.199508465,0.199508465,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Cs-Mg, expected CsCaMg26 to be CsCaMg14" +mp-1096229,La2ZnIn,-1.565641275,1.9052191125,2.31560955,2.31560955,GGA,Immm,AB2C_oI8_71_a_e_b:In-La-Zn,4.0,AB2C_oI8_71_a_e_b:In-La-Zn +mp-1018758,LaZnIn,-3.4364957233,-0.454017575,0.0,-0.0150533683,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:In-La-Zn,6.0,ABC_hP6_194_c_a_d:In-La-Zn +mp-865017,Dy2ZnRu,-5.306356655,-0.3694266975,0.0,-0.0046526648,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Ru-Zn +mp-580113,Dy(Zn10Ru)2,-2.2984262739,-0.1962321817,0.0,-0.0106927788,GGA,Fd-3m,AB2C20_cF184_227_a_d_cfg:Dy-Ru-Zn,46.0,"Invalid WP multiplicities - AB2C20_cF184_227_a_d_4c9f9g:Dy-Ru-Zn, expected Dy(Zn85Ru)2 to be Dy(Zn10Ru)2" +mp-975822,PrNdZn2,-3.32994905,-0.3128139481,0.0,-0.002298135,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Nd-Pr-Zn +mp-29796,Ho(AlCl4)3,-4.5454264383,-2.1703279208,0.0,-0.0278161802,GGA,P3_112,A3B12C_hP48_151_ac_6c_b:Al-Cl-Ho,48.0,"Invalid WP multiplicities - A3B12C_hP48_151_2a2c_7c_b:Al-Cl-Ho, expected Ho(Al3Cl7)2 to be Ho(AlCl4)3" +mp-864662,HoCl3,-5.2046125437,-2.6726078312,0.0,-0.8526318723,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Ho,8.0,A3B_hP8_194_h_c:Cl-Ho +mp-1213127,Ho5Cl11,-4.9778416744000005,-2.2749699487,0.1749205632,0.1749205632,GGA,P2_1/m,A11B5_mP64_11_2e10f_2e4f:Cl-Ho,64.0,A11B5_mP64_11_2e10f_2e4f:Cl-Ho +mp-864641,HoCl2,-5.02078466,-2.2609572633,0.1146941422,0.1146941422,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Ho,6.0,A2B_tP6_136_f_a:Cl-Ho +mp-1188696,Ho2Al3Ge4,-4.74456799,-0.4230505844,0.0163778694,0.0163778694,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Ho,18.0,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Ho +mp-1212392,Ho2AlGe3,-5.0911841421,-0.6279379529,0.0048377007,0.0048377007,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Ho,24.0,AB3C2_oP24_62_c_3c_2c:Al-Ge-Ho +mp-1077785,HoAlGe,-4.96511315,-0.648108965,0.0,-0.0429127915,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Ho,6.0,ABC_oC12_63_a_c_c:Al-Ge-Ho +mp-1207012,Ho(AlGe)2,-4.666029086,-0.402105838,0.0,-0.013240459,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Ho,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Ho +mp-1224112,Ho8(AlGe3)3,-5.203683516,-0.7285210587000001,0.0080568762,0.0080568762,GGA,C2/m,A3B9C8_mC40_12_ai_d4i_4i:Al-Ge-Ho,20.0,"Invalid WP multiplicities - A3B9C8_mC40_12_a2i_d7i_7i:Al-Ge-Ho, expected Ho14(AlGe3)5 to be Ho8(AlGe3)3" +mp-1080449,SmZnPd,-4.4388210956,-0.7194172439000001,0.0,-0.0719127353,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Sm-Zn,9.0,ABC_hP9_189_ad_f_g:Pd-Sm-Zn +mp-1199331,Pu2Re3Si5,-9.722473476,-0.4228886395,0.0,-0.070273354,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Pu-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Pu-Re-Si +mp-1103797,PuRe2,-12.7295614167,0.32273615,0.32273615,0.32273615,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Pu-Re,12.0,AB2_hP12_194_f_ah:Pu-Re +mp-867277,Ho2MgAl,-3.89372927,-0.266060865,0.0,-0.0222679409,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ho-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Ho-Mg +mp-1097298,HfSiTc2,-5.6659294875,3.36001675,3.8462943869,3.8462943869,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Hf-Si-Tc +mp-1223968,Ho2SiGe,-5.63907982,-0.8357889138,0.0,-0.0081726842,GGA,Amm2,AB2C_oC8_38_a_ab_b:Ge-Ho-Si,4.0,AB2C_oC8_38_a_ab_b:Ge-Ho-Si +mp-1223846,Ho4SiGe3,-5.5485353975,-0.8455307631000001,0.0033675762,0.0033675762,GGA,Pmm2,A3B4C_oP8_25_abc_abcd_d:Ge-Ho-Si,8.0,A3B4C_oP8_25_abc_abcd_d:Ge-Ho-Si +mp-1223829,Ho4Si3Ge,-5.7045802475,-0.8010030694,0.0127849688,0.0127849688,GGA,Pmm2,AB4C3_oP8_25_a_abcd_bcd:Ge-Ho-Si,8.0,AB4C3_oP8_25_a_abcd_bcd:Ge-Ho-Si +mp-978510,Si3As,-4.6504333838,0.58333474,0.6099916087,0.6099916087,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Si,8.0,AB3_hP8_194_c_h:As-Si +mp-972752,Si3As,-4.6681551675,0.5656129562000001,0.592269825,0.592269825,GGA,Fm-3m,AB3_cF16_225_a_bc:As-Si,4.0,AB3_cF16_225_a_bc:As-Si +mp-978553,SiAs2,-4.9856032633,-0.0710849833,0.0,-0.0612018733,GGA,Pbam,A2B_oP24_55_2g2h_gh:As-Si,24.0,A2B_oP24_55_2g2h_gh:As-Si +mp-21268,SiAs2,-4.8678076533,0.0467106267,0.11779561,0.0565937367,GGA,Pa-3,A2B_cP12_205_c_a:As-Si,12.0,A2B_cP12_205_c_a:As-Si +mp-570744,Si3As4,-5.0001965286,-0.0127068557,0.04822313,0.04822313,GGA,P-43m,A4B3_cP7_215_e_c:As-Si,7.0,A4B3_cP7_215_e_c:As-Si +mp-978499,SiAs3,-4.346155305,0.5045130062000001,0.5578267437000001,0.5578267437000001,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Si,4.0,A3B_tI8_139_ad_b:As-Si +mp-978567,SiAs3,-4.3286195213,0.52204879,0.5753625275,0.5753625275,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Si,8.0,A3B_hP8_194_h_c:As-Si +mp-1172435,SiAs3,-4.5050463788,0.3456219325,0.39893567,0.39893567,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Si,8.0,A3B_hP8_194_h_c:As-Si +mp-38407,Li5SiAs3,-3.7363733694,-0.520008083,0.0231060226,0.0231060226,GGA,C2/c,A3B5C_mC36_15_af_e2f_e:As-Li-Si,18.0,"Invalid WP multiplicities - A3B5C_mC36_15_2c2f_2e6f_e:As-Li-Si, expected Li14SiAs6 to be Li5SiAs3" +mp-1192706,Ta4Co4Si7,-8.1906806293,-0.601240102,0.0,-0.0064706964,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Ta,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Ta +mp-1102650,TaCoSi,-8.8298053867,-0.699334235,0.0,-0.1190114977,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Ta,12.0,ABC_oP12_62_c_c_c:Co-Si-Ta +mp-1218046,TaCo4Si,-7.7279879042,-0.1085934308,0.3032360448,0.3032360448,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Co-Si-Ta,12.0,A4BC_hP12_164_abi_d_d:Co-Si-Ta +mp-1198832,Ta13Co40Si31,-7.7889096548,-0.5666634652,0.0376394826,0.0376394826,GGA,P6/mmm,A40B31C13_hP168_191_djlm2oqr_cij2k2op_elmn:Co-Si-Ta,168.0,A40B31C13_hP168_191_djlm2oqr_cij2k2op_elmn:Co-Si-Ta +mp-1218133,Ta3Co8Si,-8.3388185358,-0.1833857625,0.1704436821,0.1704436821,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Co-Si-Ta,12.0,A8BC3_hP12_156_2b2d_a_a2c:Co-Si-Ta +mp-1217775,Ta2Co3Si,-8.8966433983,-0.4856722858,0.0,-0.0148045806,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Si-Ta,12.0,A3BC2_hP12_194_h_a_f:Co-Si-Ta +mp-570661,Ta6Co16Si7,-8.2482409779,-0.5635176431,0.0,-0.0737318704,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Si-Ta,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Si-Ta, expected Ta6Co80Si13 to be Ta6Co16Si7" +mp-29015,CaThBr6,-4.6099841756,-2.2677806619,0.0530621744,0.0530621744,GGA,Pmma,A6BC_oP16_51_efij_e_f:Br-Ca-Th,16.0,"Invalid WP multiplicities - A6BC_oP16_51_2ef3i3j_f_e:Br-Ca-Th, expected CaThBr15 to be CaThBr6" +mp-865003,Be2IrPd,-5.9759800175,-0.6016945875,0.0,-0.1515253833,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Pd +mp-631468,SrScBe,-2.6304983633,1.2899601111,1.3681303804,1.3681303804,GGA,F-43m,ABC_cF12_216_a_b_c:Be-Sc-Sr,3.0,ABC_cF12_216_a_b_c:Be-Sc-Sr +mp-1187149,Sr3Sc,-2.5556721125,0.2945652538,0.2945652538,0.2945652538,GGA,I4/mmm,AB3_tI8_139_a_bd:Sc-Sr,4.0,AB3_tI8_139_a_bd:Sc-Sr +mp-1097656,CaLaPd2,-3.39415694,0.9311857113,1.6923960944,1.6923960944,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-La-Pd,4.0,ABC2_oI8_71_a_b_e:Ca-La-Pd +mp-1184514,Gd2CdIn,-8.3939181975,-0.437213705,0.0,-0.025749035,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Gd-In,4.0,AB2C_cF16_225_a_c_b:Cd-Gd-In +mp-1219078,SmErMn4,-7.4810387,0.1746889855,0.1819365469,0.1819365469,GGA,F-43m,AB4C_cF24_216_a_e_c:Er-Mn-Sm,6.0,AB4C_cF24_216_a_e_c:Er-Mn-Sm +mp-1219121,SmEr3Mn8,-7.5236491233,0.1195062851,0.1267538465,0.1267538465,GGA,P3m1,A3B8C_hP12_156_a2b_2c2d_a:Er-Mn-Sm,12.0,A3B8C_hP12_156_a2b_2c2d_a:Er-Mn-Sm +mp-1084794,NdCdGa,-3.4270284056,-0.5206506672,0.0,-0.0048160739,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Ga-Nd,9.0,ABC_hP9_189_f_bc_g:Cd-Ga-Nd +mp-961708,NbInPt,-6.15920634,0.1488343567,0.6114385337,0.6114385337,GGA,F-43m,ABC_cF12_216_a_c_b:In-Nb-Pt,3.0,ABC_cF12_216_a_c_b:In-Nb-Pt +mp-1186111,NaAcIn2,-3.01106087,-0.2742939298,0.0004030485,0.0004030485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-In-Na,4.0,AB2C_cF16_225_a_c_b:Ac-In-Na +mp-603326,Gd2CdPd2,-8.669728077,-0.782748505,0.0,-0.0188082373,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Gd-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Gd-Pd +mp-623988,GdCdPd,-7.4115744144,-0.6852764778,0.0,-0.0262648698,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Gd-Pd,9.0,ABC_hP9_189_f_g_bc:Cd-Gd-Pd +mp-866034,GdCdPd2,-7.00343794,-0.663744035,0.038623849,0.038623849,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Gd-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Gd-Pd +mp-1186466,PrNdIr2,-7.3419330625,-0.5354526756,0.110547509,0.110547509,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Nd-Pr,4.0,A2BC_cF16_225_c_a_b:Ir-Nd-Pr +mp-1218977,Sn2(PdPt)3,-5.6826756987,-0.4611520612,0.0,-0.014309365,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Pd-Pt-Sn,8.0,A3B3C2_oP8_47_aj_bgh_k:Pd-Pt-Sn +mp-1187011,SmHf,-7.09700867,0.2408789125,0.2408789125,0.2408789125,GGA,P-6m2,AB_hP2_187_a_d:Hf-Sm,2.0,AB_hP2_187_a_d:Hf-Sm +mp-1208861,Sm3HfSb5,-5.9864062328,-1.0133002733,0.0082297821,0.0082297821,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Hf-Sb-Sm,18.0,AB5C3_hP18_193_b_dg_g:Hf-Sb-Sm +mp-978829,Sm3Hf,-5.8479296225,0.1803072363,0.1803072363,0.1803072363,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Sm,4.0,AB3_tI8_139_a_bd:Hf-Sm +mp-978797,Sm3Hf,-5.85333956,0.1748972988,0.1748972988,0.1748972988,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Sm,4.0,AB3_cP4_221_a_c:Hf-Sm +mp-13445,Rb2As2Pt,-3.957297206,-0.487209551,0.0,-0.1474629697,GGA,Cmcm,A2BC2_oC20_63_g_a_2c:As-Pt-Rb,10.0,"Invalid WP multiplicities - A2BC2_oC20_63_g_a_4c:As-Pt-Rb, expected Rb4As2Pt to be Rb2As2Pt" +mp-1067281,Rb3Pt,-2.01412157,0.2390623144,0.2390623144,0.2390623144,GGA,Pm-3m,AB3_cP4_221_a_c:Pt-Rb,4.0,AB3_cP4_221_a_c:Pt-Rb +mp-1209953,Nd4Ru,-5.397870986,0.271527468,0.427301072,0.427301072,GGA,Fd-3m,A4B_cF40_227_e_a:Nd-Ru,10.0,A4B_cF40_227_e_a:Nd-Ru +mp-1206625,Nd2Ge2Ru,-6.343287223,-0.7319365999999999,0.008729044,0.008729044,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-Nd-Ru,10.0,A2B2C_mC20_12_2i_2i_i:Ge-Nd-Ru +mp-1064690,NdRu3,-7.62030093,0.5275378331,0.6450843688,0.6450843688,GGA,P6/mmm,AB3_hP4_191_a_g:Nd-Ru,4.0,AB3_hP4_191_a_g:Nd-Ru +mp-1102217,NdRu2,-7.9290462183,-0.1567287142,0.0,-0.054513036,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Nd-Ru,12.0,AB2_hP12_194_f_ah:Nd-Ru +mp-1781,NdRu2,-7.9084595433,-0.1361420392,0.020586675,-0.033926361,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-Ru,6.0,AB2_cF24_227_a_d:Nd-Ru +mp-630836,Nd3(GeRu)2,-6.6316722536,-0.6174860982,0.0,-0.0149601083,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Nd-Ru,28.0,"Invalid WP multiplicities - A2B3C2_oP28_57_3c2d_3d4e_e:Ge-Nd-Ru, expected Nd11Ge5Ru2 to be Nd3(GeRu)2" +mp-1196347,Nd3Ge13Ru4,-6.013551831,-0.4384811024,0.0373499744,0.0373499744,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Ru,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Ru +mp-22397,Nd(GeRu)2,-7.173404534,-0.6608028895,0.0,-0.1419017862,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Nd-Ru,5.0,A2BC2_tI10_139_e_a_d:Ge-Nd-Ru +mp-1103979,Nd5Ru2,-6.2746824879,-0.2190335961,0.0,-0.0275727303,GGA,C2/c,A5B2_mC28_15_e2f_f:Nd-Ru,14.0,A5B2_mC28_15_e2f_f:Nd-Ru +mp-21194,NdGeRu,-6.8907192583,-0.6688599825,0.0,-0.0333252213,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Nd-Ru,6.0,ABC_tP6_129_c_c_a:Ge-Nd-Ru +mp-1106300,Nd3Ru,-6.0894282144,-0.194717005,0.0,-0.0030626084,GGA,Pnma,A3B_oP16_62_cd_c:Nd-Ru,16.0,A3B_oP16_62_cd_c:Nd-Ru +mp-676644,Yb(Ga3Te5)2,-3.7390826126,-0.7307741804,0.0,-0.0024642788,GGA,C2,A6B10C_mC68_5_6c_ab9c_c:Ga-Te-Yb,,"Invalid WP multiplicities - A6B10C_mC68_5_11c_ab18c_c:Ga-Te-Yb, expected YbGa11Te19 to be Yb(Ga3Te5)2" +mp-1009008,LaTe,-5.714930895,-1.6752743958,0.12929045,-0.0606284525,GGA,Pm-3m,AB_cP2_221_a_b:La-Te,2.0,AB_cP2_221_a_b:La-Te +mp-1560,LaTe,-5.844221345,-1.8045648458,0.0,-0.1899189025,GGA,Fm-3m,AB_cF8_225_a_b:La-Te,2.0,AB_cF8_225_a_b:La-Te +mp-1104212,La2Te5,-5.1457992757,-1.4902930362,0.0305741095,0.0305741095,GGA,Cmcm,A2B5_oC28_63_2c_5c:La-Te,14.0,A2B5_oC28_63_2c_5c:La-Te +mp-1185210,LaSbTe,-5.5496304342,-1.4801923547,0.0057817275,-0.1135963993,GGA,Pnma,ABC_oP12_62_c_c_c:La-Sb-Te,12.0,ABC_oP12_62_c_c_c:La-Sb-Te +mp-1018747,LaSbTe,-5.5554121617,-1.4859740822,0.0,-0.1193781268,GGA,P4/nmm,ABC_tP6_129_c_a_c:La-Sb-Te,6.0,ABC_tP6_129_c_a_c:La-Sb-Te +mp-1223110,La4SbTe7,-5.4547932150000005,-1.6317789722,0.0017176895,0.0017176895,GGA,P-4m2,A4BC7_tP12_115_2g_a_bcd2g:La-Sb-Te,12.0,"Invalid WP multiplicities - A4BC7_tP12_115_3g_a_bcd3g:La-Sb-Te, expected La6SbTe9 to be La4SbTe7" +mp-1025418,LaTe3,-4.6495449837,-1.0580637875,0.3414505763,0.2459426192,GGA,Cmcm,AB3_oC16_63_c_3c:La-Te,8.0,AB3_oC16_63_c_3c:La-Te +mp-1078612,LaTe3,-4.99099556,-1.3995143637,0.0,-0.0955079571,GGA,Cmcm,AB3_oC16_63_c_3c:La-Te,8.0,AB3_oC16_63_c_3c:La-Te +mp-879,La3Te4,-5.7569160621,-1.8453096495,0.0,-0.0029947337,GGA,I-43d,A3B4_cI28_220_a_c:La-Te,14.0,A3B4_cI28_220_a_c:La-Te +mp-1205384,LaTe2,-5.4224551933,-1.6815822294,0.0010886254,-0.0276786546,GGA,Pma2,AB2_oP12_28_ac_ab2c:La-Te,12.0,AB2_oP12_28_ac_ab2c:La-Te +mp-1329,LaTe2,-5.4205980017,-1.6797250378,0.0029458171,-0.0258214629,GGA,P4/nmm,AB2_tP6_129_c_ac:La-Te,6.0,AB2_tP6_129_c_ac:La-Te +mp-987595,LaTe2,-5.4231333392,-1.6822603753,0.0004104796,-0.0283568004,GGA,P4bm,AB2_tP24_100_abc_abcd:La-Te,24.0,"Invalid WP multiplicities - AB2_tP24_100_2a2b3c_2ab3c4d:La-Te, expected La2Te5 to be LaTe2" +mp-1342078,LaTe2,-5.4231086058,-1.6822356419000002,0.0004352129,-0.0283320671,GGA,P4bm,AB2_tP24_100_abc_abcd:La-Te,24.0,"Invalid WP multiplicities - AB2_tP24_100_2a2b3c_2ab3c4d:La-Te, expected La2Te5 to be LaTe2" +mp-571576,LaTe2,-5.4235438188,-1.6826708549,0.0,-0.02876728,GGA,P4bm,AB2_tP24_100_abc_abcd:La-Te,24.0,"Invalid WP multiplicities - AB2_tP24_100_2a2b3c_2ab3c4d:La-Te, expected La2Te5 to be LaTe2" +mp-32755,La2Te3,-5.7178013217,-1.8574149437,0.0,-0.0608969326,GGA,I-42d,A2B3_tI80_122_cde_3e:La-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d6e_16e:La-Te, expected La5Te8 to be La2Te3" +mp-1079035,MnAsPd,-6.5796608756,-0.2459890399,0.0481655611,0.0481655611,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Mn-Pd,9.0,ABC_hP9_189_ad_f_g:As-Mn-Pd +mp-12559,MnAsPd2,-6.28635677,-0.2411324407,0.0648131525,0.0648131525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:As-Mn-Pd +mp-999132,SmTlTe2,-4.6234863875,-1.2815261204,0.0,-0.0526659892,GGA,R-3m,AB2C_hR12_166_a_c_b:Sm-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Sm-Te-Tl +mp-1188848,Sm(Tl3Te2)3,-3.4504710919,-0.6478329784,0.0032079234,0.0032079234,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Sm-Te-Tl,16.0,AB6C9_tI32_87_a_eh_bi:Sm-Te-Tl +mp-1207249,Sm3TlTe6,-2.688448616,0.8493750752,2.2725873395,2.2725873395,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Sm-Te-Tl,10.0,A3B6C_oC20_65_de_kp_a:Sm-Te-Tl +mp-1207231,LiInIr,-4.66897825,-0.1692979911,0.1265520233,0.1265520233,GGA,P-6m2,ABC_hP3_187_b_c_e:In-Ir-Li,3.0,ABC_hP3_187_b_c_e:In-Ir-Li +mp-31208,LiIn2Ir,-4.3734846,-0.3108034733,0.0,-0.0891903169,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Ir-Li,4.0,A2BC_cF16_225_c_a_b:In-Ir-Li +mp-31443,Li2InIr,-4.1365392975,-0.2845483867,0.0007097694,0.0007097694,GGA,F-43m,ABC2_cF16_216_a_c_bd:In-Ir-Li,4.0,ABC2_cF16_216_a_c_bd:In-Ir-Li +mp-567200,Li2InIr,-4.036782,-0.1847910892,0.1004670669,0.1004670669,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Ir-Li,4.0,ABC2_cF16_225_a_b_c:In-Ir-Li +mp-1096283,Li2CaCd,-0.6917046,0.9948792433,1.1839706175,1.1839706175,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Cd-Li,4.0,ABC2_oI8_71_a_b_e:Ca-Cd-Li +mp-867803,LiCa2Cd,-1.9079395775,-0.1971864808,0.0,-0.0126003834,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Li,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Li +mp-1185160,La3Tm,-4.78930918,0.0316550046,0.0316550046,0.0316550046,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Tm,4.0,A3B_tI8_139_ad_b:La-Tm +mp-1185130,LaTmMg2,-3.2374320375,-0.0843313804,0.0094771596,0.0094771596,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:La-Mg-Tm +mp-979291,TaZnOs2,-9.0204035025,-0.1273394775,0.0126586345,0.0126586345,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Ta-Zn,4.0,A2BC_cF16_225_c_a_b:Os-Ta-Zn +mp-11253,NaSnAu,-3.231676825,-0.3630171089,0.0,-0.052892262,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Na-Sn,12.0,ABC_oP12_62_c_c_c:Au-Na-Sn +mp-570351,Na2Sn3Au,-3.2639602696,-0.2726855776,0.0,-0.0133797546,GGA,P6_3/mmc,AB2C3_hP24_194_f_bh_k:Au-Na-Sn,24.0,AB2C3_hP24_194_f_bh_k:Au-Na-Sn +mp-1222050,Na10Sn4Au13,-3.0216935774,-0.3615451939,0.0014346689,0.0014346689,GGA,Immm,A13B10C4_oI162_71_bflmn3o_f2g2ilmno_lmn:Au-Na-Sn,81.0,"Invalid WP multiplicities - A13B10C4_oI162_71_bflmn6o_f2g2ilmno_lmn:Au-Na-Sn, expected Na10Sn4Au21 to be Na10Sn4Au13" +mp-867182,Sm2ZnIr,-5.42063146,-0.536793945,0.0421083796,0.0421083796,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Sm-Zn +mp-1215401,ZnCu2,-3.1856068633,-0.03288788,0.0276154733,0.0276154733,GGA,P-3m1,A2B_hP3_164_d_a:Cu-Zn,3.0,A2B_hP3_164_d_a:Cu-Zn +mp-1215483,Zn3Cu,-1.9685582375,0.0010511375,0.0819309,0.0784611331,GGA,Cmmm,AB3_oC8_65_b_ck:Cu-Zn,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Cu-Zn, expected Zn5Cu to be Zn3Cu" +mp-972042,Zn3Cu,-2.0504891375,-0.0808797625,0.0,-0.0034697669,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cu-Zn,8.0,AB3_hP8_194_c_h:Cu-Zn +mp-1096539,ZnCu2Au,-1.822322045,1.3606876925,1.4685587025,1.4685587025,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Zn,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Zn +mp-1215545,ZnCu2Au,-3.1875938825,-0.004584145,0.103286865,0.103286865,GGA,R3m,AB2C_hR12_160_a_2a_a:Au-Cu-Zn,4.0,AB2C_hR12_160_a_2a_a:Au-Cu-Zn +mp-1215462,ZnCu,-2.731922375,-0.052447235,0.038307795,0.0356717331,GGA,Cmmm,AB_oC4_65_a_c:Cu-Zn,2.0,AB_oC4_65_a_c:Cu-Zn +mp-987,ZnCu,-2.77023017,-0.09075503,0.0,-0.0026360619,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Zn,2.0,AB_cP2_221_a_b:Cu-Zn +mp-1368,Zn8Cu5,-2.4602989015,-0.1084541146,0.0,-0.0107168008,GGA,I-43m,A5B8_cI52_217_ce_cg:Cu-Zn,26.0,A5B8_cI52_217_ce_cg:Cu-Zn +mp-1215529,ZnCu3,-3.4097277225,-0.0203868175,0.0249906975,0.0249906975,GGA,R-3m,A3B_hR12_166_ac_b:Cu-Zn,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Cu-Zn, expected ZnCu5 to be ZnCu3" +mp-1215518,ZnCu3,-3.41076807,-0.021427165,0.02395035,0.02395035,GGA,P-6m2,A3B_hP4_187_ah_b:Cu-Zn,4.0,A3B_hP4_187_ah_b:Cu-Zn +mp-1216020,Zn35Cu17,-2.2892580662,-0.1012284558,0.0,-0.0045919206,GGA,P1,A17B35_aP52_1_17a_35a:Cu-Zn,52.0,A17B35_aP52_1_17a_35a:Cu-Zn +mp-1215564,ZnCuAu2,-3.10814965,-0.13147108,0.0151023075,0.0018802238,GGA,P2/m,A2BC_mP8_10_2n_m_m:Au-Cu-Zn,8.0,A2BC_mP8_10_2n_m_m:Au-Cu-Zn +mp-864623,ZnCuAu2,-3.1232519575,-0.1465733875,0.0,-0.0132220837,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cu-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Cu-Zn +mp-12759,Zn2CuAu,-2.62897081,-0.1558268375,0.0,-0.0025783125,GGA,Pmmn,ABC2_oP8_59_a_b_e:Au-Cu-Zn,8.0,ABC2_oP8_59_a_b_e:Au-Cu-Zn +mp-3648,Zn2CuAu,-2.619928635,-0.1467846625,0.009042175,0.0064638625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Zn +mp-862767,TbMgCd2,-2.33080377,-0.3106973525,0.0,-0.0656817543,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Tb,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Tb +mp-1096422,TiAgAu2,-2.76315741,1.5557955950000002,1.8731496033,1.8731496033,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Ti,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Ti +mp-1961,TiAg,-5.26700777,0.09701624,0.16248169,0.1399710133,GGA,P4/mmm,AB_tP2_123_a_d:Ag-Ti,2.0,AB_tP2_123_a_d:Ag-Ti +mp-1017985,TiAg,-5.42948946,-0.06546545,0.0,-0.0225106767,GGA,P4/nmm,AB_tP4_129_c_c:Ag-Ti,4.0,AB_tP4_129_c_c:Ag-Ti +mp-979115,Ti2Ag,-6.2651197100000005,-0.0572730311,0.0,-0.0136293978,GGA,I4/mmm,AB2_tI6_139_a_e:Ag-Ti,3.0,AB2_tI6_139_a_e:Ag-Ti +mp-621131,Ti3Ag,-6.5280747025,0.1016833108,0.1446380842,0.1446380842,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Ti,4.0,AB3_cP4_221_a_c:Ag-Ti +mp-1097200,TiGaAu2,-2.93902053,1.4288174798,1.8079836297,1.8079836297,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ga-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Ga-Ti +mp-1223823,Hf2Cr3Si,-9.3799463933,-0.3301399767,0.0298890633,0.0298890633,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Cr-Hf-Si,12.0,A3B2C_hP12_194_h_f_a:Cr-Hf-Si +mp-1204660,HfCrSi2,-8.1822699973,-0.5670518573000001,0.0,-0.0016623158,GGA,Pbam,ABC2_oP48_55_ei_gi_2g2hi:Cr-Hf-Si,48.0,ABC2_oP48_55_ei_gi_2g2hi:Cr-Hf-Si +mp-1102342,HfCrSi,-8.9140859517,-0.5689011083000001,0.0024178433,0.0024178433,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Hf-Si,12.0,ABC_oP12_62_c_c_c:Cr-Hf-Si +mp-14504,Hf6Cr5Si7,-8.7119398871,-0.6016289015,0.0083581982,0.0083581982,GGA,Pnma,A5B6C7_oP72_62_c2d_6c_5cd:Cr-Hf-Si,72.0,A5B6C7_oP72_62_c2d_6c_5cd:Cr-Hf-Si +mp-1212482,Hf2Cr4Si5,-8.2991858891,-0.5125351536,0.0,-0.0119598957,GGA,Ibam,A4B2C5_oI44_72_fj_j_a2j:Cr-Hf-Si,22.0,A4B2C5_oI44_72_fj_j_a2j:Cr-Hf-Si +mp-865352,Mg17Al11Pd,-2.6212032907,-0.0837558152,0.0098559727,0.0098559727,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Pd,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Pd, expected Mg27Al19Pd to be Mg17Al11Pd" +mp-865152,MgAlPd2,-4.7601702375,-0.8337653625,0.0,-0.0058305825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Pd +mp-1185686,Mg16Al12Pd,-2.6907809648,-0.0793577728,0.0142366329,0.0142366329,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Pd,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Pd, expected Mg26Al20Pd to be Mg16Al12Pd" +mp-1185690,Mg16Al12Pd,-2.6758030069,-0.0643798148,0.0292145908,0.0292145908,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pd,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b6c_a:Al-Mg-Pd, expected Mg61Al39Pd to be Mg16Al12Pd" +mp-570009,Np(MnSi)2,-8.536166744,-0.1116774789,0.2357663453,0.2357663453,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Mn-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Mn-Np-Si +mp-1186380,Pa3Cd,-7.1691405725,0.1975803625,0.1975803625,0.1975803625,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Pa,4.0,AB3_cP4_221_a_c:Cd-Pa +mp-1186397,PaCd,-5.146984345,0.071792865,0.071792865,0.071792865,GGA,P-6m2,AB_hP2_187_a_d:Cd-Pa,2.0,AB_hP2_187_a_d:Cd-Pa +mp-861974,PaCdPt2,-6.3814293425,-0.7364740775,0.0,-0.0529770767,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pa-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Pa-Pt +mp-866027,YbRh2Pb,-5.508887665,-0.5136698925000001,0.0,-0.0713033737,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Rh-Yb,,AB2C_cF16_225_a_c_b:Pb-Rh-Yb +mp-1207815,Yb4Rh6Pb19,-4.1920210328,-0.0235874234,0.2324005999999999,0.2324005999999999,GGA,I23,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Yb,,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Yb +mp-862424,Sc2TcNi,-7.5299745725,-0.3285461137,0.0463184528,0.0463184528,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Ni-Sc-Tc +mp-1183800,DyErAg2,-4.044056425,-0.3341520108,0.0060732125,0.0060732125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-Er,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-Er +mp-618813,Gd2Br3,-8.459324944,-1.89705905,0.007978507,0.007978507,GGA,C2/m,A3B2_mC20_12_3i_2i:Br-Gd,10.0,"Invalid WP multiplicities - A3B2_mC20_12_3i_3i:Br-Gd, expected GdBr to be Gd2Br3" +mp-1064427,GdBr,-9.338693065,-1.52411778,0.0634135175,0.0634135175,GGA,P-3m1,AB_hP4_164_d_d:Br-Gd,4.0,AB_hP4_164_d_d:Br-Gd +mp-637600,Gd6CoBr10,-8.2527993582,-1.9530737974,0.0,-0.0668615475,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Co-Gd,17.0,"Invalid WP multiplicities - A10BC6_aP17_2_7i_a_4i:Br-Co-Gd, expected Gd8CoBr14 to be Gd6CoBr10" +mp-27182,GdBr3,-7.0650987538,-2.3812969462,0.0,-1.19563504,GGA,C2/m,A3B_mC16_12_ij_g:Br-Gd,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Br-Gd, expected GdBr5 to be GdBr3" +mp-1209787,Pr3RhBr3,-5.4065252725,-1.6399381118,0.0,-0.0508647815,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-Pr-Rh,28.0,A3B3C_cI56_214_h_g_a:Br-Pr-Rh +mp-1185442,Lu2CuPd,-5.222656435,-0.642409055,0.0,-0.0448957756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Pd,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Pd +mp-1198585,Sm6Fe13Pb,-7.1951215073,-0.0883995267,0.0,-0.0155308199,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Pb-Sm,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Pb-Sm +mp-30432,Ba(RhPb2)3,-4.8714500350000005,-0.242671938,0.0,-0.046058708,GGA,Cmcm,AB6C3_oC40_63_c_2c2g_cg:Ba-Pb-Rh,20.0,"Invalid WP multiplicities - AB6C3_oC40_63_c_2c4g_2c3g:Ba-Pb-Rh, expected Ba(Rh4Pb5)2 to be Ba(RhPb2)3" +mp-1097294,LiBe2Au,-1.6458813775,1.5195262717,1.790639805,1.790639805,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Li,4.0,AB2C_oI8_71_a_e_b:Au-Be-Li +mp-982974,LiBeAu2,-3.3824406575,-0.3334157246,0.0057941406,0.0057941406,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Be-Li,4.0,A2BC_cF16_225_c_a_b:Au-Be-Li +mp-1096505,Sc2TlHg,-2.0323332075,1.8004822229,2.150813245,2.0847046411,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Sc-Tl +mp-1186961,Sc2TlHg,-4.1831464525,-0.3503310221,0.0,-0.0661086039,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sc-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Sc-Tl +mp-13608,Be13Sb,-3.6175150036,0.1497256025,0.1497256025,0.1497256025,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Sb,28.0,"Invalid WP multiplicities - A13B_cF112_226_b2i_a:Be-Sb, expected Be25Sb to be Be13Sb" +mp-9575,LiBeSb,-3.56726892,-0.3081565961,0.01780653,0.0104303869,GGA,P6_3mc,ABC_hP6_186_b_a_b:Be-Li-Sb,6.0,ABC_hP6_186_b_a_b:Be-Li-Sb +mp-1100398,LiBeSb,-3.58507545,-0.3259631261,0.0,-0.0073761431,GGA,F-43m,ABC_cF12_216_c_a_b:Be-Li-Sb,3.0,ABC_cF12_216_c_a_b:Be-Li-Sb +mp-17325,Ba5Sn3,-3.32320738,-0.6202585969000001,0.0112619581,0.0112619581,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ba-Sn,16.0,"Invalid WP multiplicities - A5B3_tI32_140_c2l_ah:Ba-Sn, expected Ba3Sn to be Ba5Sn3" +mp-18636,Ba3Sn5,-3.8515435087,-0.6259454969,0.0,-0.0120586056,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ba-Sn,16.0,"Invalid WP multiplicities - A3B5_oC32_63_ce_cf2g:Ba-Sn, expected Ba3Sn7 to be Ba3Sn5" +mp-872,BaSn,-3.6669172625,-0.7026438650000001,0.0,-0.0683303258,GGA,Cmcm,AB_oC8_63_c_c:Ba-Sn,4.0,AB_oC8_63_c_c:Ba-Sn +mp-567510,BaSn2,-3.89700745,-0.5843012333000001,0.0,-0.0192802646,GGA,P-3m1,AB2_hP3_164_a_d:Ba-Sn,3.0,AB2_hP3_164_a_d:Ba-Sn +mp-7759,BaSn3,-3.9300945388,-0.4431719125,0.0,-0.0049459875,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Sn,8.0,AB3_hP8_194_c_h:Ba-Sn +mp-1190176,Ba3Sn2,-3.396221679,-0.641007973,0.004737244,0.004737244,GGA,P4_32_12,A3B2_tP20_96_ab_b:Ba-Sn,20.0,A3B2_tP20_96_ab_b:Ba-Sn +mp-1981,Ba2Sn,-3.2236533633,-0.607812785,0.0,-0.05647181,GGA,Pnma,A2B_oP12_62_2c_c:Ba-Sn,12.0,A2B_oP12_62_2c_c:Ba-Sn +mp-571353,BaSn5,-3.9303691833,-0.2692301475,0.0262177942,0.0262177942,GGA,P6/mmm,AB5_hP6_191_a_bh:Ba-Sn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_b2h:Ba-Sn, expected BaSn9 to be BaSn5" +mp-1068048,BaSn3Au,-3.947063402,-0.502748901,0.0,-0.078450102,GGA,I4mm,ABC3_tI10_107_a_a_ab:Au-Ba-Sn,5.0,ABC3_tI10_107_a_a_ab:Au-Ba-Sn +mp-2480,OsSe2,-6.5651566875,-0.4920932257,0.0,-0.4920932257,GGA,Pa-3,AB2_cP12_205_a_c:Os-Se,12.0,AB2_cP12_205_a_c:Os-Se +mp-1101771,SbOsSe,-6.6196554617,-0.3355620791,0.0,-0.0335664181,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-Sb-Se,12.0,ABC_mP12_14_e_e_e:Os-Sb-Se +mp-977425,Ta2CrRu,-10.93883889,-0.2780875725,0.0,-0.0578949987,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Cr-Ru-Ta +mp-1072553,TmCdNi4,-5.1243420467,-0.3711300628,0.0,-0.0521602514,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Tm,6.0,AB4C_cF24_216_a_e_c:Cd-Ni-Tm +mp-1207915,Tm4CdNi,-4.414344435,-0.3132830794,0.0,-0.025346185,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ni-Tm,24.0,ABC4_cF96_216_e_e_efg:Cd-Ni-Tm +mp-21079,Tb(GeRu)2,-7.142375782,-0.6565304040000001,0.0,-0.1105532632,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Tb,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Tb +mp-19788,Tb2Ge2Ru,-6.353734754,-0.795896664,0.0,-0.0067756115,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Tb,10.0,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Tb +mp-21310,TbGeRu,-6.89125221,-0.7139867117,0.0,-0.0271457259,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ru-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Ru-Tb +mp-1188258,Tb3Ge3Ru2,-6.5577497862000005,-0.7676264181,0.0,-0.0024459863,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Ru-Tb,16.0,A3B2C3_oC32_63_cf_f_cf:Ge-Ru-Tb +mp-1225146,FeSnPt,-6.2802485575,-0.0966730958,0.2848370725,0.2848370725,GGA,P3m1,ABC_hP12_156_2a2b_4a_b3c:Fe-Pt-Sn,12.0,ABC_hP12_156_2a2b_4a_b3c:Fe-Pt-Sn +mp-1201523,Ho2Mn3Co14,-7.2268290295,-0.0601283586,0.0386297869,0.0386297869,GGA,P6_3/mmc,A14B2C3_hP38_194_fjk_bc_g:Co-Ho-Mn,38.0,A14B2C3_hP38_194_fjk_bc_g:Co-Ho-Mn +mp-1217699,Tb2InAg,-4.10377484,-0.3905318567,0.0,-0.0272334527,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-In-Tb,4.0,ABC2_tP4_123_a_b_h:Ag-In-Tb +mp-22382,TbInAg2,-3.6347202725,-0.3719298133,0.0,-0.0525804039,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Tb,4.0,A2BC_cF16_225_c_a_b:Ag-In-Tb +mp-646337,Tb2EuSe4,-6.9889134961,-2.2018592231,0.0,-0.0115098486,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-Se-Tb,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Eu-Se-Tb, expected Tb5EuSe13 to be Tb2EuSe4" +mp-1187375,TbEu3,-8.7750921963,0.0762506788,0.0762506788,0.0762506788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Tb,8.0,A3B_hP8_194_h_c:Eu-Tb +mp-1187468,Tb3Eu,-5.96044259,0.079582435,0.079582435,0.079582435,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Tb,4.0,AB3_tI8_139_a_bd:Eu-Tb +mp-1187304,Tb3Eu,-5.954161235,0.08586379,0.08586379,0.08586379,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Tb,4.0,AB3_cP4_221_a_c:Eu-Tb +mp-1095816,Mg2PtAu,-2.0727208775,1.0636729775,1.7230094512,1.7230094512,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Mg-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Mg-Pt +mp-1205936,HoMgPd,-4.4832244089,-0.6957008322,0.0,-0.0354713449,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:Ho-Mg-Pd +mp-1206892,Ho2MgPd2,-5.01252672,-0.787554438,0.0071168173,0.0071168173,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-Mg-Pd,10.0,A2BC2_tP10_127_h_a_g:Ho-Mg-Pd +mp-10359,Zr(CoGe)6,-6.4069262246,-0.3349435685,0.0061447677,0.0061447677,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Zr,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_c2de_a:Co-Ge-Zr, expected Zr(Co3Ge4)2 to be Zr(CoGe)6" +mp-1103148,ZrCoGe,-7.465312305,-0.7056302117000001,0.0,-0.0743175947,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Zr,12.0,ABC_oP12_62_c_c_c:Co-Ge-Zr +mp-22233,Zr4Co4Ge7,-6.953431813,-0.6210805673,0.0,-0.0254024437,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Zr,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Zr +mp-18135,Zr4Co7Ge6,-7.1728810847,-0.6030461309,0.0,-0.0491688551,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Co-Ge-Zr,17.0,A7B6C4_cI34_229_ad_e_c:Co-Ge-Zr +mp-672654,Zr6Co16Ge7,-7.2762037952,-0.4699802267,0.0,-0.0012404111,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Zr,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Ge-Zr, expected Zr6Co80Ge13 to be Zr6Co16Ge7" +mp-1028261,CeMg14Mn,-2.2591981006,0.0844909711,0.0997647599,0.0997647599,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Mn, expected CeMg18Mn to be CeMg14Mn" +mp-1028131,CeMg14Mn,-2.2372512775,0.1064377942,0.121711583,0.121711583,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Mn, expected CeMg26Mn to be CeMg14Mn" +mp-1023140,CeMg6Mn,-2.8681672138,0.2189308796,0.2375634585,0.2375634585,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Mn,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Mn +mp-1023248,CeMg6Mn,-2.82720108,0.2598970134,0.2785295923,0.2785295923,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Mn,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Mn +mp-1220484,NbAlCu,-6.2583844817,-0.2763553017,0.0,-0.017216065,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cu-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cu-Nb, expected Nb3(AlCu)2 to be NbAlCu" +mp-1186214,Nb3Cu,-8.4296841925,0.171096255,0.171096255,0.171096255,GGA,Fm-3m,AB3_cF16_225_a_bc:Cu-Nb,4.0,AB3_cF16_225_a_bc:Cu-Nb +mp-1087517,NdZnPd,-4.4309356378,-0.6950113536,0.0,-0.0601039065,GGA,P-62m,ABC_hP9_189_f_ad_g:Nd-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Nd-Pd-Zn +mp-1190606,Nd6Zn4Pd13,-5.1888189652,-0.7981092885000001,0.0,-0.0633537983,GGA,Im-3m,A6B13C4_cI46_229_e_ah_c:Nd-Pd-Zn,23.0,A6B13C4_cI46_229_e_ah_c:Nd-Pd-Zn +mp-976143,PrDyZn2,-3.2951193775,-0.3183244237,0.0081682325,0.0081682325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Pr-Zn +mp-1096407,AlNiPt2,-3.3580579275,2.05893686,2.6990672606,2.6990672606,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ni-Pt,4.0,ABC2_oI8_71_a_b_e:Al-Ni-Pt +mp-1228921,Al3Ni2Pt,-5.5512614267,-0.7399057317000001,0.0467956996,0.0467956996,GGA,P4/mmm,A3B2C_tP6_123_ag_h_d:Al-Ni-Pt,6.0,"Invalid WP multiplicities - A3B2C_tP6_123_a2g_h_d:Al-Ni-Pt, expected Al5Ni2Pt to be Al3Ni2Pt" +mp-1229119,Al(Ni4Pt)3,-5.8582904562,-0.1507519594,0.0266170227,0.0266170227,GGA,P4/mmm,AB12C3_tP16_123_a_cdh2i_bg:Al-Ni-Pt,16.0,"Invalid WP multiplicities - AB12C3_tP16_123_a_cd2h5i_b2g:Al-Ni-Pt, expected AlNi26Pt5 to be Al(Ni4Pt)3" +mp-1228186,Al4Ni3Pt,-5.51923809,-0.7200072550000001,0.0347288172,0.0347288172,GGA,P4/mmm,A4B3C_tP8_123_2h_ag_b:Al-Ni-Pt,8.0,"Invalid WP multiplicities - A4B3C_tP8_123_2h_a2g_b:Al-Ni-Pt, expected Al4Ni5Pt to be Al4Ni3Pt" +mp-1248407,Al2NiPt,-3.2196496275,1.6159557875,2.4665879369,2.4665879369,GGA,P-1,A2BC_aP4_2_i_a_d:Al-Ni-Pt,4.0,A2BC_aP4_2_i_a_d:Al-Ni-Pt +mp-1096538,Al2NiPt,-3.2154080925,1.6201973225,2.4708294719,2.4708294719,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ni-Pt,4.0,A2BC_oI8_71_e_a_b:Al-Ni-Pt +mp-1228426,Al2NiPt,-5.628782275,-0.79317686,0.0574552894,0.0574552894,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Ni-Pt,4.0,A2BC_tP4_123_h_a_b:Al-Ni-Pt +mp-1215228,ZrTi4Be5,-6.006607388,-0.1239340858,0.0214029212,0.0214029212,GGA,P4/mmm,A5B4C_tP10_123_a2g_2h_d:Be-Ti-Zr,10.0,"Invalid WP multiplicities - A5B4C_tP10_123_a3g_3h_d:Be-Ti-Zr, expected ZrTi6Be7 to be ZrTi4Be5" +mp-1187081,SiSn3,-4.0420997,0.3214086988,0.3214086988,0.3214086988,GGA,P-1,AB3_aP4_2_b_ci:Si-Sn,4.0,AB3_aP4_2_b_ci:Si-Sn +mp-978494,SiSn3,-4.04227894,0.3212294587,0.3212294587,0.3212294587,GGA,Pm-3m,AB3_cP4_221_a_c:Si-Sn,4.0,AB3_cP4_221_a_c:Si-Sn +mp-1025324,SiSnPt5,-6.2198076357,-0.5354424236,0.0,-0.0138873314,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pt-Si-Sn,7.0,A5BC_tP7_123_ai_b_c:Pt-Si-Sn +mp-1009813,SiSn,-4.52544612,0.1919988225,0.1919988225,0.1919988225,GGA,F-43m,AB_cF8_216_a_c:Si-Sn,2.0,AB_cF8_216_a_c:Si-Sn +mp-1094080,Si18Sn,-4.4834620853,0.8673429882,0.8673429882,0.8673429882,GGA,Cm,A18B_mC38_8_6a6b_a:Si-Sn,19.0,"Invalid WP multiplicities - A18B_mC38_8_6a8b_a:Si-Sn, expected Si22Sn to be Si18Sn" +mp-1200148,Er11(In3Si2)2,-4.7868998836,-0.5746960069,0.0,-0.0178834492,GGA,I4/mmm,A11B6C4_tI84_139_eh2n_hm_dei:Er-In-Si,42.0,A11B6C4_tI84_139_eh2n_hm_dei:Er-In-Si +mp-1102668,CrSbPt,-6.440049275,0.1776780683,0.5186339167,0.5186339167,GGA,P2_13,ABC_cP12_198_a_a_a:Cr-Pt-Sb,12.0,ABC_cP12_198_a_a_a:Cr-Pt-Sb +mp-11494,LuPb3,-4.0919593625,-0.17723643,0.02262746,0.02262746,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Pb,4.0,AB3_cP4_221_a_c:Lu-Pb +mp-1210614,Lu6Pb5,-4.58960653,-0.4360666691,0.0,-0.0308971304,GGA,Ibam,A6B5_oI44_72_f2j_a2j:Lu-Pb,22.0,A6B5_oI44_72_f2j_a2j:Lu-Pb +mp-1105871,Lu5Pb3,-4.6820934894,-0.4642567631,0.0,-0.1045017611,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Pb,16.0,A5B3_hP16_193_dg_g:Lu-Pb +mp-11493,LuPb2,-4.1247892233,-0.14270767,0.1237775167,0.1237775167,GGA,I4/mmm,AB2_tI6_139_a_e:Lu-Pb,3.0,AB2_tI6_139_a_e:Lu-Pb +mp-16747,LuAgPb,-3.9875986089,-0.2988807444,0.0049131061,0.0049131061,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Lu-Pb,9.0,ABC_hP9_189_f_g_bc:Ag-Lu-Pb +mp-861995,PaNi2Sn,-6.670274525,-0.3991470563,0.0,-0.1253549737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Pa-Sn,4.0,A2BC_cF16_225_c_a_b:Ni-Pa-Sn +mp-1179501,SmPdPb,-5.2018438033,-0.664805465,0.0652816733,0.0119871725,GGA,P-6m2,ABC_hP3_187_a_c_f:Pb-Pd-Sm,9.0,ABC_hP3_187_a_c_f:Pb-Pd-Sm +mp-1079245,SmPdPb,-5.2671254767,-0.7300871383,0.0,-0.0532945008,GGA,P-62m,ABC_hP9_189_f_bc_g:Pb-Pd-Sm,9.0,ABC_hP9_189_f_bc_g:Pb-Pd-Sm +mp-1187039,SmPd2Pb,-5.36515445,-0.6674052438,0.0240275175,0.0240275175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Sm,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Sm +mp-672272,Sm2Pd2Pb,-5.514067757,-0.8121511650000001,0.0,-0.031497926,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Pb-Pd-Sm,10.0,AB2C2_tP10_127_a_g_h:Pb-Pd-Sm +mp-32829,CuCl4,-2.757204838,-0.458534176,0.09155172,0.09155172,GGA,I-42m,A4B_tI10_121_i_a:Cl-Cu,5.0,A4B_tI10_121_i_a:Cl-Cu +mp-1225654,CuCl,-3.656962915,-0.68309125,0.00451612,0.00451612,GGA,R3m,AB_hR6_160_a_a:Cl-Cu,2.0,AB_cF8_216_a_c:Cl-Cu +mp-1184046,CuCl,-3.65821955,-0.684347885,0.003259485,0.003259485,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Cu,4.0,AB_hP4_186_b_b:Cl-Cu +mp-23287,CuCl,-3.61579611,-0.641924445,0.045682925,0.045682925,GGA,Pa-3,AB_cP16_205_c_c:Cl-Cu,16.0,AB_cP16_205_c_c:Cl-Cu +mp-22914,CuCl,-3.659133975,-0.68526231,0.00234506,0.00234506,GGA,F-43m,AB_cF8_216_a_c:Cl-Cu,2.0,AB_cF8_216_a_c:Cl-Cu +mp-571386,CuCl,-3.483428875,-0.50955721,0.17805016,0.17805016,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Cu,2.0,AB_cF8_225_a_b:Cl-Cu +mp-1213141,CuCl3,-3.0312852681,-0.6200811056000001,0.0675262644,0.0675262644,GGA,Cmmm,A3B_oC32_65_hj2p_gi:Cl-Cu,16.0,A3B_oC32_65_hj2p_gi:Cl-Cu +mp-1183968,Cu3Cl,-3.3611028975,0.17543627,0.5192399550000001,0.5192399550000001,GGA,Pm-3m,AB3_cP4_221_a_c:Cl-Cu,4.0,AB3_cP4_221_a_c:Cl-Cu +mp-23174,ReCl3,-5.6309598417,-1.1334255504,0.0,-0.1217931654,GGA,R-3m,A3B_hR72_166_3h_h:Cl-Re,24.0,A3B_hR72_166_3h_h:Cl-Re +mp-27645,ReCl5,-4.637693869,-1.0231587881,0.0541882125,0.0541882125,GGA,P2_1/c,A5B_mP48_14_10e_2e:Cl-Re,48.0,A5B_mP48_14_10e_2e:Cl-Re +mp-1078114,ReCl6,-4.42357415,-1.0613245579,0.0,-0.1843313109,GGA,R-3,A6B_hR21_148_f_a:Cl-Re,7.0,A6B_hR21_148_f_a:Cl-Re +mp-30999,CuCl2,-3.5155698233,-0.9168098267,0.0,-0.2750016529,GGA,C2/m,A2B_mC6_12_i_a:Cl-Cu,3.0,A2B_mC6_12_i_a:Cl-Cu +mp-1147758,CuCl2,-3.3184427933,-0.7196827967,0.19712703,-0.0778746229,GGA,P4/mmm,A2B_tP3_123_e_b:Cl-Cu,3.0,A2B_tP3_123_e_b:Cl-Cu +mp-1147756,CuCl2,-3.3071495467,-0.70838955,0.2084202767,-0.0665813762,GGA,I4/mmm,A2B_tI6_139_c_a:Cl-Cu,3.0,A2B_tI6_139_c_a:Cl-Cu +mp-1238872,CuCl2,-3.4289237867,-0.8301637900000001,0.0866460367,-0.1883556162,GGA,R-3m,A2B_hR9_166_c_a:Cl-Cu,3.0,A2B_hR9_166_c_a:Cl-Cu +mp-27340,ReCl4,-5.046809309,-1.079074544,0.0207038766,0.0207038766,GGA,P2/c,A4B_mP20_13_ef3g_g:Cl-Re,20.0,A4B_mP20_13_ef3g_g:Cl-Re +mp-631418,CuRe2Cl,-6.6276594725,1.0815399525,1.4593484693,1.4593484693,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cl-Cu-Re,4.0,ABC2_cF16_225_a_b_c:Cl-Cu-Re +mp-977143,LaDyRu2,-7.21596479,-0.1930650337,0.1200002104,0.1200002104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-La-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-La-Ru +mp-865954,LiHo2Rh,-5.1102182725,-0.5007061533,0.0116704193,0.0116704193,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Ho-Li-Rh +mp-1093664,Sr2AgPb,-1.463918145,1.01712935,1.4740992656,1.4740992656,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pb-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Pb-Sr +mp-1072264,TbCu4Ag,-4.2108554667,-0.2335640028,0.0,-0.0440070663,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Tb,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Tb +mp-1217677,Tb2CuAg,-4.3259676175,-0.2758438992,0.0,-0.0009326975,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Cu-Tb,4.0,ABC2_tP4_123_a_b_h:Ag-Cu-Tb +mp-10063,CdSnSb2,-3.43305848,-0.1354424563,0.0,-0.0267786894,GGA,I-42d,AB2C_tI16_122_a_d_b:Cd-Sb-Sn,8.0,AB2C_tI16_122_a_d_b:Cd-Sb-Sn +mp-1219027,SmHo3Ni4,-5.6364344513,-0.4381395181,0.6080396659,0.6080396659,GGA,Pm,A3B4C_mP8_6_a2b_2a2b_a:Ho-Ni-Sm,8.0,A3B4C_mP8_6_a2b_2a2b_a:Ho-Ni-Sm +mp-1219116,SmHo3Ni4,-5.6383271421,-0.440032209,0.6061469751,0.6061469751,GGA,Pm,A3B4C_mP24_6_4a5b_6a6b_2ab:Ho-Ni-Sm,24.0,A3B4C_mP24_6_4a5b_6a6b_2ab:Ho-Ni-Sm +mp-972471,Sm3Ho,-4.667463605,0.0170782138,0.0170782138,0.0170782138,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Sm,4.0,AB3_tI8_139_a_bd:Ho-Sm +mp-979899,Sm3Ho,-4.662624665,0.0219171538,0.0219171538,0.0219171538,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Sm,8.0,AB3_hP8_194_c_h:Ho-Sm +mp-978949,Sm3Ho,-4.67297552,0.0115662988,0.0115662988,0.0115662988,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Sm,4.0,AB3_cP4_221_a_c:Ho-Sm +mp-972607,SmHo3,-4.5925174825,0.0239357038,0.0239357038,0.0239357038,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Sm,4.0,A3B_tI8_139_ad_b:Ho-Sm +mp-1187022,SmHo3,-4.5987846075,0.0176685788,0.0176685788,0.0176685788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Sm,8.0,A3B_hP8_194_h_c:Ho-Sm +mp-1120769,RuPt,-7.59695257,0.07581536,0.07581536,0.07581536,GGA,P4/mmm,AB_tP2_123_a_d:Pt-Ru,2.0,AB_tP2_123_a_d:Pt-Ru +mp-866119,Tm2RuPt,-6.954142235,-0.8798405583000001,0.0,-0.0223041806,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Pt-Ru-Tm +mp-1219797,Ni6SnTe2,-5.2711873711,-0.2737425131,0.0,-0.0004654522,GGA,I4mm,A6BC2_tI18_107_2a2b_a_2a:Ni-Sn-Te,9.0,A6BC2_tI18_107_2a2b_a_2a:Ni-Sn-Te +mp-1068053,Ca2AgPd2,-4.054256624,-0.6135527473,0.0,-0.0460095765,GGA,Immm,AB2C2_oI10_71_a_f_h:Ag-Ca-Pd,5.0,AB2C2_oI10_71_a_f_h:Ag-Ca-Pd +mp-1096516,Ca2AgPd,-2.0840182375,0.9218911558,1.4402450546,1.4402450546,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Pd,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Pd +mp-1183456,Ca2AgPd,-3.5118918025,-0.5059824092,0.0123714896,0.0123714896,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ca-Pd,4.0,AB2C_cF16_225_a_c_b:Ag-Ca-Pd +mp-978997,Sm(NiBi)2,-5.110152352,-0.318184801,0.7414657703,0.7414657703,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Bi-Ni-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Bi-Ni-Sm +mp-1206682,SmNiBi,-5.4642339733,-0.6844966583000001,0.5130654736,0.5130654736,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Sm,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Sm +mp-1209049,Sm3Ni3Bi4,-5.2826333415,-0.596820845,0.4809850737,0.4809850737,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Ni-Sm,20.0,A4B3C3_cI40_220_c_a_b:Bi-Ni-Sm +mp-1183794,DyErRh2,-6.8819212675,-0.90614092,0.0094455575,0.0094455575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Er-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Er-Rh +mp-862432,Sc2AgIr,-6.7540352225,-0.6700531242000001,0.0096545049,0.0096545049,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Sc +mp-22575,Sc3As2,-6.817182049,-1.154053224,0.01203531,0.0106925815,GGA,Pnma,A2B3_oP20_62_2c_3c:As-Sc,20.0,A2B3_oP20_62_2c_3c:As-Sc +mp-1188926,Sc3As2,-6.829217359,-1.166088534,0.0,-0.0013427285,GGA,Pnma,A2B3_oP20_62_2c_3c:As-Sc,20.0,A2B3_oP20_62_2c_3c:As-Sc +mp-1105852,Sc3As2,-6.787849953,-1.124721128,0.041367406,0.0400246775,GGA,P4/m,A2B3_tP20_83_jk_adejk:As-Sc,20.0,A2B3_tP20_83_jk_adejk:As-Sc +mp-505002,Sc5As3,-6.8174723481,-1.1125097556,0.0,-0.0162339725,GGA,Pnma,A3B5_oP32_62_cd_3cd:As-Sc,32.0,A3B5_oP32_62_cd_3cd:As-Sc +mp-1219422,Sc7As3,-6.7173014255,-0.8868375305,0.003170274,0.003170274,GGA,I4/mcm,A3B7_tI80_140_hj_ab2kl:As-Sc,40.0,A3B7_tI80_140_hj_ab2kl:As-Sc +mp-1104526,Sc(Ni2As)2,-6.1267645057,-0.5880141293000001,0.0,-0.0753199701,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Sc,14.0,A2B4C_tP14_136_f_i_a:As-Ni-Sc +mp-1186963,Sc3As,-6.4050063988,-0.4908749688,0.2507982017,0.2507982017,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Sc,8.0,AB3_hP8_194_c_h:As-Sc +mp-12982,ScAs,-6.386002385,-0.8902086300000001,0.483481375,0.081531815,GGA,Pm-3m,AB_cP2_221_a_b:As-Sc,2.0,AB_cP2_221_a_b:As-Sc +mp-2052,ScAs,-6.86948376,-1.373690005,0.0,-0.40194956,GGA,Fm-3m,AB_cF8_225_a_b:As-Sc,2.0,AB_cF8_225_a_b:As-Sc +mp-865738,LiPrHg2,-2.280833615,-0.4565362771,0.0,-0.0324744,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Pr +mp-865145,NaTl2Bi,-2.654666495,-0.1825913158,0.0,-0.0090661056,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Bi-Na-Tl +mp-864898,Na2TlBi,-2.5108044125,-0.2987586966,0.0,-0.0165976669,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Na-Tl,4.0,AB2C_cF16_225_a_c_b:Bi-Na-Tl +mp-862743,LaCdAu2,-3.7704482125,-0.6687829962,0.0,-0.0553063296,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-La,4.0,A2BC_cF16_225_c_a_b:Au-Cd-La +mp-1207248,La2CdAu2,-4.213676018,-0.7451424240000001,0.0,-0.012688987,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Cd-La,10.0,A2BC2_tP10_127_g_a_h:Au-Cd-La +mp-542251,LaCdAu,-3.71540904,-0.6711494183000001,0.0,-0.0314480329,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-La,9.0,ABC_hP9_189_ad_g_f:Au-Cd-La +mp-1223045,LaGdAl4,-6.163968325,-0.4982295475,0.0177901875,0.0177901875,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Gd-La,6.0,A4BC_cF24_216_e_a_c:Al-Gd-La +mp-2646,Mg3Sb2,-3.051068536,-0.43930001,0.0069453083,-0.168662628,GGA,P-3m1,A3B2_hP5_164_ad_d:Mg-Sb,5.0,A3B2_hP5_164_ad_d:Mg-Sb +mp-1196139,Mg3Sb2,-3.0580138442,-0.4462453182,0.0,-0.1756079363,GGA,Ia-3,A3B2_cI80_206_e_ad:Mg-Sb,40.0,A3B2_cI80_206_e_ad:Mg-Sb +mp-1206370,Mg2Sb3,-3.33901866,-0.221505896,0.0759909828,0.0759909828,GGA,P-3m1,A2B3_hP5_164_d_ad:Mg-Sb,5.0,A2B3_hP5_164_d_ad:Mg-Sb +mp-1027864,Mg14ZrSb,-2.2407307012,-0.0481917906,0.0735831597,0.0735831597,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Zr, expected Mg18ZrSb to be Mg14ZrSb" +mp-1027856,Mg14ZrSb,-2.2265334156,-0.033994505,0.0877804453,0.0877804453,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Zr, expected Mg26ZrSb to be Mg14ZrSb" +mp-1016270,Mg7Sb,-1.9982714925,-0.0819012937,0.0732651151,0.0732651151,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Sb,8.0,A7B_hP8_187_ajk_d:Mg-Sb +mp-1094556,MgSb2,-3.4299728067,-0.14387863,0.1040354357,0.1040354357,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Sb,6.0,AB2_mC12_8_2a_4a:Mg-Sb +mp-1094527,MgSb2,-3.4166684717,-0.130574295,0.1173397707,0.1173397707,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sb, expected MgSb3 to be MgSb2" +mp-1094547,MgSb2,-3.393791895,-0.1076977183,0.1402163474,0.1402163474,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sb, expected MgSb3 to be MgSb2" +mp-1094561,MgSb2,-3.4290821083000003,-0.1429879317,0.104926134,0.104926134,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sb, expected MgSb3 to be MgSb2" +mp-1185954,MgSb2,-3.4269556317,-0.140861455,0.1070526107,0.1070526107,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sb, expected MgSb3 to be MgSb2" +mp-1094545,MgSb2,-3.37571951,-0.0896253333,0.1582887324,0.1582887324,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Sb,6.0,AB2_oC12_38_2a_a3b:Mg-Sb +mp-1094516,MgSb2,-3.3881520383,-0.1020578617,0.145856204,0.145856204,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Sb,6.0,AB2_oC12_63_c_g:Mg-Sb +mp-1094549,MgSb2,-3.37706429,-0.0909701133,0.1569439524,0.1569439524,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sb,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Sb, expected MgSb3 to be MgSb2" +mp-1094513,MgSb3,-3.5793476625,-0.08252672,0.1034088293,0.1034088293,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Sb,4.0,AB3_oI8_44_a_bc:Mg-Sb +mp-1094537,Mg5Sb,-2.0634289967,-0.041695415,0.1575738589,0.1575738589,GGA,Cm,A5B_mC12_8_5a_a:Mg-Sb,6.0,A5B_mC12_8_5a_a:Mg-Sb +mp-1094555,Mg5Sb,-2.133790845,-0.1120572633,0.0872120106,0.0872120106,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Sb,6.0,A5B_oC12_38_2a3b_a:Mg-Sb +mp-1094564,Mg5Sb,-2.102387625,-0.0806540433,0.1186152306,0.1186152306,GGA,R32,A5B_hR18_155_cd_b:Mg-Sb,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Sb, expected Mg10Sb to be Mg5Sb" +mp-1094540,Mg5Sb,-2.09556057,-0.0738269883,0.1254422856,0.1254422856,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Sb,6.0,A5B_hP6_189_cg_a:Mg-Sb +mp-1023488,Mg15Sb,-1.7968629625,-0.0385378381,0.0504742731,0.0504742731,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Sb,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Sb, expected Mg27Sb to be Mg15Sb" +mp-1094536,Mg2Sb,-2.560967295,-0.1177801817,0.2579005525,0.2579005525,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Sb,6.0,A2B_mC12_8_4a_2a:Mg-Sb +mp-1094553,Mg2Sb,-2.6595852717,-0.2163981583,0.1592825758,0.1592825758,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094583,Mg2Sb,-2.5367511383,-0.093564025,0.2821167092,0.2821167092,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094584,Mg2Sb,-2.63011982,-0.1869327067,0.1887480275,0.1887480275,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094595,Mg2Sb,-2.6468388083,-0.203651695,0.1720290392,0.1720290392,GGA,C2/c,A2B_mC12_15_f_e:Mg-Sb,6.0,A2B_mC12_15_f_e:Mg-Sb +mp-1094512,Mg2Sb,-2.6352145483,-0.192027435,0.1836532992,0.1836532992,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Sb,6.0,A2B_oC12_38_a3b_2a:Mg-Sb +mp-1094546,Mg2Sb,-2.5748123717,-0.1316252583,0.2440554758,0.2440554758,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094554,Mg2Sb,-2.638238435,-0.1950513217,0.1806294125,0.1806294125,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094572,Mg2Sb,-2.5920230067,-0.1488358933,0.2268448408,0.2268448408,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Sb,6.0,A2B_oC12_63_g_c:Mg-Sb +mp-1185773,Mg2Sb,-2.70517907,-0.2619919567,0.1136887775,0.1136887775,GGA,Immm,A2B_oI12_71_eg_f:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_oI12_71_e2g_f:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094560,Mg2Sb,-2.5838396033,-0.14065249,0.2350282442,0.2350282442,GGA,R32,A2B_hR18_155_ae_c:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Mg-Sb, expected Mg7Sb2 to be Mg2Sb" +mp-1094507,Mg2Sb,-2.51130584,-0.0681187267,0.3075620075,0.3075620075,GGA,P-6m2,A2B_hP6_187_adg_h:Mg-Sb,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Mg-Sb, expected Mg3Sb to be Mg2Sb" +mp-1094541,Mg2Sb,-2.5519998783,-0.108812765,0.2668679692,0.2668679692,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Sb,6.0,A2B_hP6_189_ag_c:Mg-Sb +mp-1094532,Mg2Sb,-2.52761255,-0.0844254367,0.2912552975,0.2912552975,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Sb,6.0,A2B_hP6_194_f_c:Mg-Sb +mp-1016236,Mg3Sb,-2.3418332425,-0.109372895,0.178102109,0.178102109,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Sb,4.0,A3B_oP4_25_abc_d:Mg-Sb +mp-1094538,Mg3Sb,-2.31183259,-0.0793722425,0.2081027615,0.2081027615,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Sb,4.0,A3B_oI8_44_ac_b:Mg-Sb +mp-1094551,Mg3Sb,-2.41429393,-0.1818335825,0.1056414215,0.1056414215,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Sb,4.0,A3B_tI8_139_ad_b:Mg-Sb +mp-1094709,Mg3Sb,-2.2658759575,-0.03341561,0.254059394,0.254059394,GGA,P-6m2,A3B_hP4_187_ah_b:Mg-Sb,4.0,A3B_hP4_187_ah_b:Mg-Sb +mp-1094548,Mg3Sb,-2.41518414,-0.1827237925,0.1047512115,0.1047512115,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Sb,8.0,A3B_hP8_194_h_c:Mg-Sb +mp-1094724,Mg3Sb,-2.448995885,-0.2165355375,0.0709394665,0.0709394665,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Sb,4.0,A3B_cP4_221_c_a:Mg-Sb +mp-1094520,Mg3Sb,-2.3190254925,-0.086565145,0.200909859,0.200909859,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Sb,4.0,A3B_cF16_225_ac_b:Mg-Sb +mp-1022455,Mg6ZrSb,-2.8674292575,-0.0826314862,0.1380606007,0.1380606007,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Zr, expected Mg12ZrSb to be Mg6ZrSb" +mp-1022462,Mg6ZrSb,-2.8693472312,-0.08454946,0.1361426269,0.1361426269,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Zr, expected Mg12ZrSb to be Mg6ZrSb" +mp-1094533,MgSb,-3.0939501433,-0.2293094983,0.1425616002,0.1425616002,GGA,C2,AB_mC12_5_ac_bc:Mg-Sb,6.0,AB_mC12_5_ac_bc:Mg-Sb +mp-1094204,MgSb,-2.9888773417000003,-0.1242366967,0.2476344019,0.2476344019,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sb,6.0,AB_mC12_8_3a_3a:Mg-Sb +mp-1094557,MgSb,-3.0189946683,-0.1543540233,0.2175170752,0.2175170752,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sb,6.0,AB_mC12_8_3a_3a:Mg-Sb +mp-1094566,MgSb,-3.0911918383,-0.2265511933,0.1453199052,0.1453199052,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sb,6.0,AB_mC12_8_3a_3a:Mg-Sb +mp-1094565,MgSb,-3.104902995,-0.24026235,0.1316087485,0.1316087485,GGA,C2/m,AB_mC8_12_i_i:Mg-Sb,4.0,AB_mC8_12_i_i:Mg-Sb +mp-1094534,MgSb,-3.02125361,-0.156612965,0.2152581335,0.2152581335,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sb,6.0,AB_oC12_38_2ab_a2b:Mg-Sb +mp-1094550,MgSb,-3.042819525,-0.17817888,0.1936922185,0.1936922185,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sb,6.0,AB_oC12_38_2ab_a2b:Mg-Sb +mp-1094552,MgSb,-3.09477532,-0.230134675,0.1417364235,0.1417364235,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Sb,6.0,AB_oC12_38_ae_bd:Mg-Sb +mp-1094585,MgSb,-2.9729400517,-0.1082994067,0.2635716919,0.2635716919,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sb,6.0,AB_oC12_38_2ab_a2b:Mg-Sb +mp-1094941,MgSb,-3.08250219,-0.217861545,0.1540095535,0.1540095535,GGA,Pmma,AB_oP4_51_e_f:Mg-Sb,4.0,AB_oP4_51_e_f:Mg-Sb +mp-1094715,MgSb,-3.14040909,-0.275768445,0.0961026535,0.0961026535,GGA,Pmmn,AB_oP4_59_a_b:Mg-Sb,4.0,AB_oP4_59_a_b:Mg-Sb +mp-1094668,MgSb,-3.094679485,-0.23003884,0.1418322585,0.1418322585,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Sb,2.0,AB_tP2_123_a_d:Mg-Sb +mp-1094571,MgSb,-3.148246165,-0.28360552,0.0882655785,0.0882655785,GGA,R-3m,AB_hR6_166_a_b:Mg-Sb,2.0,AB_hR6_166_a_b:Mg-Sb +mp-1097924,MgSb,-3.035404445,-0.1707638,0.2011072985,0.2011072985,GGA,P-6m2,AB_hP2_187_a_d:Mg-Sb,2.0,AB_hP2_187_a_d:Mg-Sb +mp-1094967,MgSb,-3.06745207,-0.202811425,0.1690596735,0.1690596735,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Sb,2.0,AB_cP2_221_a_b:Mg-Sb +mp-1094188,MgSb,-3.095031035,-0.23039039,0.1414807085,0.1414807085,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Sb,2.0,AB_cF8_225_a_b:Mg-Sb +mp-1185628,Mg149Sb,-1.6470524633,-0.0299142721,0.0,-0.0224768501,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Sb,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Sb, expected Mg309Sb to be Mg149Sb" +mp-977424,Yb2ZnPb,-2.51143866,-0.49853685,0.0,-0.0192458822,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Yb-Zn,,AB2C_cF16_225_a_c_b:Pb-Yb-Zn +mp-1077097,YbZnPb,-2.5998514533,-0.4291851333,0.0,-0.0216857897,GGA,P6_3mc,ABC_hP6_186_b_a_b:Pb-Yb-Zn,,ABC_hP6_186_b_a_b:Pb-Yb-Zn +mp-1186794,Pr3Gd,-7.0796262063,0.02508367,0.02508367,0.02508367,GGA,P6_3/mmc,AB3_hP8_194_c_h:Gd-Pr,8.0,AB3_hP8_194_c_h:Gd-Pr +mp-1220015,PrGdAl4,-6.1358583267,-0.4959697742,0.014823995,0.014823995,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Gd-Pr,6.0,A4BC_cF24_216_e_a_c:Al-Gd-Pr +mp-22385,Np(Al2Fe)4,-6.2182854192,-0.311172253,0.0,-0.0095101679,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Np,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Np +mp-1187598,Tm2MgCd,-3.0456425075,-0.1769323433,0.0089812475,0.0089812475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Tm,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Tm +mp-865227,TmMgCd2,-2.2579793575,-0.2775056092,0.0,-0.0561444508,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Tm,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Tm +mp-1184360,ErLuZn2,-3.2587165125,-0.356677375,0.00106304,0.00106304,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Lu-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Lu-Zn +mp-1098699,La2MgHg,-0.7991139025,2.1448797537,2.44985982,2.44985982,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Mg,4.0,AB2C_oI8_71_a_e_b:Hg-La-Mg +mp-867833,LaMgHg2,-2.27842423,-0.4925122588,0.0,-0.1108669397,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Mg,4.0,A2BC_cF16_225_c_a_b:Hg-La-Mg +mp-865615,GaSiRu2,-7.245119325,-0.4945645419,0.0,-0.032744465,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-Si +mp-1213416,Er6Ti4Al43,-4.4862906334,-0.3344407916,0.0,-0.0243707928,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Ti +mp-631409,TlTcIr2,-6.962401025,0.6376365879,0.7793902273000001,0.7793902273000001,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Tc-Tl,4.0,A2BC_cF16_225_c_a_b:Ir-Tc-Tl +mp-1080016,Tl3Ir,-3.4415757113,0.5400151938000001,0.5400151938000001,0.5400151938000001,GGA,Pm-3n,AB3_cP8_223_a_c:Ir-Tl,8.0,AB3_cP8_223_a_c:Ir-Tl +mp-971750,Tl3Ir,-3.45869938,0.522891525,0.522891525,0.522891525,GGA,Fm-3m,AB3_cF16_225_a_bc:Ir-Tl,4.0,AB3_cF16_225_a_bc:Ir-Tl +mp-20928,Sb2Ru,-6.2259390033,-0.3818039967,0.0,-0.2235814933,GGA,Pnnm,AB2_oP6_58_a_g:Ru-Sb,6.0,AB2_oP6_58_a_g:Ru-Sb +mp-31456,HfSbRu,-8.3266217233,-0.5397574533,0.1031673367,0.1031673367,GGA,F-43m,ABC_cF12_216_a_c_b:Hf-Ru-Sb,3.0,ABC_cF12_216_a_c_b:Hf-Ru-Sb +mp-7565,SbRu,-6.939035645,-0.237333755,0.0490192425,0.0490192425,GGA,Pnma,AB_oP8_62_c_c:Ru-Sb,8.0,AB_oP8_62_c_c:Ru-Sb +mp-8152,Li2CeAs2,-4.800547964,-0.9867136243,0.0,-0.0276973505,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ce-Li,5.0,A2BC2_hP5_164_d_a_d:As-Ce-Li +mp-862996,Pm2CdIn,-3.7120509025,-0.4181363687,0.0,-0.1636877217,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-In-Pm +mp-862613,LiAc2Ga,-3.50885133,-0.214009104,0.0,-0.0132400264,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Ac-Ga-Li +mp-27294,Ca3AsBr3,-4.2424351529,-2.0517204336,0.0,-0.0665633507,GGA,Pm-3m,AB3C3_cP7_221_a_c_d:As-Br-Ca,7.0,AB3C3_cP7_221_a_c_d:As-Br-Ca +mp-1186210,Nb2TcOs,-10.7011422125,-0.2534880988,0.0,-0.0710438441,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nb-Os-Tc,4.0,A2BC_cF16_225_c_a_b:Nb-Os-Tc +mp-1217407,Tc3Os,-10.61428301,-0.0369619437,0.0185048525,-0.0118652075,GGA,P-6m2,AB3_hP4_187_a_bh:Os-Tc,4.0,AB3_hP4_187_a_bh:Os-Tc +mp-862779,Tc3Os,-10.6327878625,-0.0554667963,0.0,-0.03037006,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Tc,8.0,AB3_hP8_194_c_h:Os-Tc +mp-867212,TcOs3,-11.0859755175,-0.0752902088,0.0,-0.0568012767,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Tc,8.0,A3B_hP8_194_h_c:Os-Tc +mp-1184593,Ho2IrPd,-6.73417681,-0.9383933775,0.0,-0.0236082925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Pd +mp-1186634,PmSm,-4.708873565,0.0256906637,0.0256906637,0.0256906637,GGA,P-6m2,AB_hP2_187_a_d:Pm-Sm,2.0,AB_hP2_187_a_d:Pm-Sm +mp-1186540,Pm3Sm,-4.729348685,0.0132045906,0.0132045906,0.0132045906,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Sm,4.0,A3B_tI8_139_ad_b:Pm-Sm +mp-1186541,Pm3Sm,-4.71365629,0.0288969856,0.0288969856,0.0288969856,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Sm,8.0,A3B_hP8_194_h_c:Pm-Sm +mp-1186530,Pm3Sm,-4.7323376425,0.0102156331,0.0102156331,0.0102156331,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Sm,4.0,A3B_cP4_221_c_a:Pm-Sm +mp-1186633,PmSm3,-4.713209815,0.0133653669,0.0133653669,0.0133653669,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Sm,4.0,AB3_tI8_139_a_bd:Pm-Sm +mp-1186647,PmSm3,-4.699000835,0.0275743469,0.0275743469,0.0275743469,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Sm,8.0,AB3_hP8_194_c_h:Pm-Sm +mp-1186640,PmSm3,-4.71619094,0.0103842419,0.0103842419,0.0103842419,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Sm,4.0,AB3_cP4_221_a_c:Pm-Sm +mp-1186652,PmSmRh2,-6.75286104,-0.7034249906000001,0.0,-0.1853282569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Sm +mp-1186201,NaYbPb2,-2.927649005,-0.3557920766,0.008030173,0.008030173,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Pb-Yb,,AB2C_cF16_225_a_c_b:Na-Pb-Yb +mp-1208427,Tm3Cu20Sb11,-4.354310584,-0.2122325454,0.0351136037,0.0351136037,GGA,F-43m,A20B11C3_cF272_216_e3h_ab2eh_g:Cu-Sb-Tm,68.0,A20B11C3_cF272_216_e3h_ab2eh_g:Cu-Sb-Tm +mp-1207358,Tm2CuSb3,-1.8495296867,2.3901171861,3.2086731258,3.2086731258,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Cu-Sb-Tm,6.0,AB3C2_tP6_123_a_bg_g:Cu-Sb-Tm +mp-1079294,TmCuSb2,-4.8581352137,-0.6498740704,0.0,-0.0566322256,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-Tm,8.0,AB2C_tP8_129_a_bc_c:Cu-Sb-Tm +mp-1096255,HfNi2Au,-4.0971510275,2.10068507,2.6198725045,2.6198725045,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hf-Ni,4.0,ABC2_oI8_71_a_b_e:Au-Hf-Ni +mp-862677,LiHoTl2,-3.1156697525,-0.311515245,0.0,-0.03892902,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Li-Tl +mp-865624,Li2HoTl,-2.909955675,-0.2192312375,0.0,-0.0003415904,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Ho-Li-Tl +mp-1140,NdCu5,-4.3686813,-0.1579845029,0.0,-0.0157214787,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Nd,6.0,A5B_hP6_191_cg_a:Cu-Nd +mp-11852,NdCu2,-4.524664265,-0.2024773408,0.0,-0.0320695969,GGA,Imma,A2B_oI12_74_h_e:Cu-Nd,6.0,A2B_oI12_74_h_e:Cu-Nd +mp-1207316,Nd2CuSb3,-2.0154190583,2.3216651508,3.2576030575,3.2576030575,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Nd-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Nd-Sb +mp-1186272,Nd3Cu,-4.44799321,0.1529190319,0.2443345244,0.2443345244,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Nd,4.0,AB3_tI8_139_a_bd:Cu-Nd +mp-1945,NdCu6,-4.32768158,-0.1329119439,0.0025033443,0.0025033443,GGA,P2_1/c,A6B_mP28_14_6e_e:Cu-Nd,28.0,A6B_mP28_14_6e_e:Cu-Nd +mp-1193079,NdCu6,-4.328430615,-0.1336609789,0.0017543093,0.0017543093,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Nd,28.0,A6B_oP28_62_4cd_c:Cu-Nd +mp-3435,Nd3Cu3Sb4,-5.1570473855,-0.8452406588,0.0,-0.028065275,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Nd-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Nd-Sb +mp-13392,NdCu,-4.6165080362,-0.182830985,0.0,-0.0309729794,GGA,Pnma,AB_oP8_62_c_c:Cu-Nd,8.0,AB_oP8_62_c_c:Cu-Nd +mp-20020,NdCuSb2,-5.0462144062,-0.7648752606,0.0,-0.0573727989,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Nd-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Nd-Sb +mp-1183196,AcYbAg2,-3.1830801825,-0.351606359,0.0,-0.016968715,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-Yb,,AB2C_cF16_225_a_c_b:Ac-Ag-Yb +mp-1183660,CdPb3,-2.971113365,0.0440943775,0.0440943775,0.0440943775,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Pb,4.0,AB3_tI8_139_a_bd:Cd-Pb +mp-20389,Na2CdPb,-1.97161966,-0.1514728058,0.0,-0.0195957667,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cd-Na-Pb,4.0,AB2C_cF16_216_a_bc_d:Cd-Na-Pb +mp-1183663,Cd3Pb,-1.546119365,0.0742097225,0.0742097225,0.0742097225,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Pb,8.0,A3B_hP8_194_h_c:Cd-Pb +mp-1097275,NaCdPb2,-1.3331468025,1.0845304959,1.2019987239,1.2019987239,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Na-Pb,4.0,ABC2_oI8_71_a_b_e:Cd-Na-Pb +mp-30582,HfCuHg2,-3.5240702375,0.14186887,0.2310523961,0.2310523961,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cu-Hf-Hg,4.0,ABC2_cF16_216_a_c_bd:Cu-Hf-Hg +mp-628808,Cu7Hg6,-2.0006464692,0.3467788292,0.3467788292,0.3467788292,GGA,R3m,A7B6_hR78_160_2a4b_2bc:Cu-Hg,26.0,"Invalid WP multiplicities - A7B6_hR78_160_2a10b_5b5c:Cu-Hg, expected Cu32Hg45 to be Cu7Hg6" +mp-1192989,Cu7Hg6,-2.2038203427,0.1436049558,0.1436049558,0.1436049558,GGA,R3m,A7B6_hR78_160_2a4b_2bc:Cu-Hg,26.0,A7B6_hR78_160_2a4b_2bc:Cu-Hg +mp-1192757,Cu7Hg6,-2.2074452623,0.1399800362,0.1399800362,0.1399800362,GGA,R-3m,A7B6_hR78_166_ab2h_fh:Cu-Hg,26.0,A7B6_hR78_166_ab2h_fh:Cu-Hg +mp-1186602,PmNdHg2,-3.00465391,-0.4731412887,0.0,-0.1037986056,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Nd-Pm,4.0,A2BC_cF16_225_c_a_b:Hg-Nd-Pm +mp-864940,Mg2PtRh,-4.8623014275,-0.7033011050000001,0.0,-0.1150723962,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pt-Rh,4.0,A2BC_cF16_225_c_a_b:Mg-Pt-Rh +mp-866059,GdMgRh2,-8.268984535,-0.6677300275,0.0,-0.0341185825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Gd-Mg-Rh +mp-1191587,Gd4MgRh,-11.2553135829,-0.3771341029,0.0,-0.0742794113,GGA,F-43m,A4BC_cF96_216_efg_e_e:Gd-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:Gd-Mg-Rh +mp-1097526,LiHg2Au,-1.115694695,0.3318467042,0.6029602375,0.6029602375,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Au-Hg-Li +mp-865714,Li2HgAu,-2.3081157725,-0.4592637479,0.0,-0.001248155,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Li,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Li +mp-1186729,Pr2MgIn,-3.804168745,-0.3257249225,0.0,-0.0111320467,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Pr,4.0,ABC2_cF16_225_a_b_c:In-Mg-Pr +mp-1205949,PrMgIn,-3.45369868,-0.409408835,0.0,-0.0705966433,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Pr,9.0,ABC_hP9_189_ad_g_f:In-Mg-Pr +mp-977356,ZnGaIr2,-5.846267795,-0.3550907969,0.0,-0.0586005425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ir-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Ir-Zn +mp-867147,BaNaHg2,-1.3648772625,-0.4026620216,0.0,-0.0088470621,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Ba-Hg-Na +mp-1224645,GdDyAl4,-6.1311956217,-0.5203268883000001,0.00358945,0.00358945,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-Gd,6.0,A4BC_cF24_216_e_a_c:Al-Dy-Gd +mp-1222115,Mg7GaAg12,-2.595393399,-0.1843569784,0.011598164,0.011598164,GGA,R3m,A12BC7_hR60_160_12a_a_7a:Ag-Ga-Mg,20.0,A12BC7_hR60_160_12a_a_7a:Ag-Ga-Mg +mp-865183,MgGaAg2,-2.7280660775000003,-0.1546940577,0.0,-0.0104583337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ga-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Ga-Mg +mp-1185509,LuAlCu2,-4.49021894,-0.3739840175,0.0,-0.0317152076,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Lu,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Lu +mp-1222454,Lu(AlCu)6,-4.3149513738,-0.3465171031,0.0,-0.0697198027,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Lu,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Lu +mp-1103511,Lu(Al2Cu)4,-4.2025845677,-0.2885550415,0.0,-0.0085206892,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Lu,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Lu +mp-1222329,LuAlCu,-4.519548655,-0.3976376483,0.0,-0.0093408458,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Lu,6.0,ABC_oI12_74_a_c_e:Al-Cu-Lu +mp-1184014,GaPb3,-3.5039763075,0.0375330006,0.0375330006,0.0375330006,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Pb,4.0,AB3_tI8_139_a_bd:Ga-Pb +mp-1184450,GaPb3,-3.4626909462,0.0788183619,0.0788183619,0.0788183619,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Pb,8.0,AB3_hP8_194_c_h:Ga-Pb +mp-1097225,Mg2GaPb,-1.1433194525,1.3420063456,1.4445967183,1.4445967183,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mg-Pb,4.0,AB2C_oI8_71_a_e_b:Ga-Mg-Pb +mp-1184425,Ga3Pb,-3.108141845,0.0910919394,0.0910919394,0.0910919394,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Pb,4.0,A3B_tI8_139_ad_b:Ga-Pb +mp-1184361,Ga3Pb,-3.105588035,0.0936457494,0.0936457494,0.0936457494,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Pb,4.0,A3B_cP4_221_c_a:Ga-Pb +mp-1184344,Ga3Pb,-3.10628319,0.0929505944,0.0929505944,0.0929505944,GGA,Fm-3m,A3B_cF16_225_ac_b:Ga-Pb,4.0,A3B_cF16_225_ac_b:Ga-Pb +mp-976135,PrEr3,-4.588727015,0.0322885312,0.0322885312,0.0322885312,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Pr,4.0,A3B_tI8_139_ad_b:Er-Pr +mp-1186525,PrEr3,-4.6012345763,0.01978097,0.01978097,0.01978097,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Pr,8.0,A3B_hP8_194_h_c:Er-Pr +mp-976147,PrEr3,-4.594202255,0.0268132912,0.0268132912,0.0268132912,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Pr,4.0,A3B_cP4_221_c_a:Er-Pr +mp-1186711,Pr3Er,-4.70759079,0.0200182287,0.0200182287,0.0200182287,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Pr,4.0,AB3_tI8_139_a_bd:Er-Pr +mp-975599,Pr3Er,-4.700079005,0.0275300137,0.0275300137,0.0275300137,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Pr,8.0,AB3_hP8_194_c_h:Er-Pr +mp-975639,Pr3Er,-4.7195234575,0.0080855612,0.0080855612,0.0080855612,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pr,4.0,AB3_cP4_221_a_c:Er-Pr +mp-976129,PrErZn2,-3.2843064025,-0.3172784562,0.012999425,0.012999425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Pr-Zn +mp-8125,LuCuSi,-5.311498235,-0.6296731617,0.0,-0.0416750861,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Lu-Si,6.0,ABC_hP6_194_c_a_d:Cu-Lu-Si +mp-5346,Lu(CuSi)2,-5.234186412,-0.520186428,0.0,-0.0676608548,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Lu-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Lu-Si +mp-1102095,Lu3(CuSi)4,-5.2998372091,-0.6033871764000001,0.0,-0.0234807118,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Lu-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Lu-Si +mp-1211151,Lu3Cu11Si4,-4.7845062533,-0.3203175283,0.0484190794,0.0484190794,GGA,P6_3/mmc,A11B3C4_hP36_194_fhk_h_bg:Cu-Lu-Si,36.0,A11B3C4_hP36_194_fhk_h_bg:Cu-Lu-Si +mp-1102132,ZrCrSi,-8.4479349575,-0.5725795808,0.0458182931,0.0458182931,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Si-Zr,12.0,ABC_oP12_62_c_c_c:Cr-Si-Zr +mp-1215601,Zr2Cr3Si,-8.8766389625,-0.2966620125,0.0809251292,0.0809251292,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cr-Si-Zr,12.0,A3BC2_hP12_194_h_a_f:Cr-Si-Zr +mp-21591,ZrCrSi2,-7.8484232279,-0.5855771879,0.0260048466,0.0260048466,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Cr-Si-Zr,48.0,"Invalid WP multiplicities - AB2C_oP48_55_2e2i_2g2hi_gi:Cr-Si-Zr, expected Zr(CrSi)2 to be ZrCrSi2" +mp-31125,Zr2Cr4Si5,-8.0405872891,-0.5102071718,0.0227536695,0.0227536695,GGA,Ibam,A4B5C2_oI44_72_fj_a2j_j:Cr-Si-Zr,22.0,"Invalid WP multiplicities - A4B5C2_oI44_72_2fj_a3j_j:Cr-Si-Zr, expected Zr2Cr6Si7 to be Zr2Cr4Si5" +mp-1217191,Ti3Si3Mo2,-8.289603315,-0.58288702,0.0269040892,0.0269040892,GGA,Amm2,A2B3C3_oC32_38_abd_abde_ef:Mo-Si-Ti,16.0,A2B3C3_oC32_38_abd_abde_ef:Mo-Si-Ti +mp-1217079,Ti2Si6Mo,-7.0708122656,-0.494307563,0.01449256,0.01449256,GGA,C222,AB6C2_oC18_21_a_el_k:Mo-Si-Ti,9.0,"Invalid WP multiplicities - AB6C2_oC18_21_a_2e2l_k:Mo-Si-Ti, expected Ti2Si12Mo to be Ti2Si6Mo" +mp-1217229,Ti(Si3Mo)2,-7.3614909389,-0.4571908926,0.0463573122,0.0463573122,GGA,C222,A2B6C_oC18_21_k_el_a:Mo-Si-Ti,9.0,"Invalid WP multiplicities - A2B6C_oC18_21_k_2e2l_a:Mo-Si-Ti, expected Ti(Si6Mo)2 to be Ti(Si3Mo)2" +mp-1187083,Th3Re,-8.345274345,0.3262511387,0.3623912953,0.3623912953,GGA,P6_3/mmc,AB3_hP8_194_c_h:Re-Th,8.0,AB3_hP8_194_c_h:Re-Th +mp-1225636,DyThRe4,-10.4501969425,-0.1504046375,0.0090625329,0.0090625329,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Dy-Re-Th,12.0,AB4C_hP12_164_d_abi_d:Dy-Re-Th +mp-1659,ThRe2,-10.8640112908,-0.0963737508,0.0,-0.0963737508,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Th,12.0,A2B_hP12_194_ah_f:Re-Th +mp-1183368,Ba3Pr,-2.4633223313,0.1711353125,0.1711353125,0.1711353125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Pr,8.0,A3B_hP8_194_h_c:Ba-Pr +mp-1183297,BaPr,-3.136028525,0.2139118225,0.2139118225,0.2139118225,GGA,P-6m2,AB_hP2_187_a_d:Ba-Pr,2.0,AB_hP2_187_a_d:Ba-Pr +mp-1205126,Ba9Pr6Br34,-4.4856594198,-2.4701661094,0.024530819,0.024530819,GGA,I4/m,A9B34C6_tI98_87_ai_dgh3i_eh:Ba-Br-Pr,49.0,A9B34C6_tI98_87_ai_dgh3i_eh:Ba-Br-Pr +mp-1097251,NbReTc2,-6.3543978325,4.4623796962,4.6122930325,4.6122930325,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Re-Tc,4.0,ABC2_oI8_71_a_b_e:Nb-Re-Tc +mp-1093781,Nb2ReTc,-6.391866825,4.3600772275,4.65788342,4.4948868425,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-Tc,4.0,A2BC_oI8_71_e_a_b:Nb-Re-Tc +mp-1186208,Nb2ReTc,-11.049750245,-0.2978061925,0.0,-0.1629965775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nb-Re-Tc,4.0,A2BC_cF16_225_c_a_b:Nb-Re-Tc +mp-1183073,Ac2TlIn,-3.712851755,-0.3736825321,0.0,-0.1837530119,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-In-Tl,4.0,A2BC_cF16_225_c_a_b:Ac-In-Tl +mp-1095794,Pd2PbAu,-2.841205375,1.4953677975000002,1.7131837667,1.7131837667,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Pb-Pd +mp-1219939,PdPb4Au,-4.016246045,-0.1321873633,0.0110301125,0.0110301125,GGA,I422,AB4C_tI12_97_a_j_b:Au-Pb-Pd,6.0,AB4C_tI12_97_a_j_b:Au-Pb-Pd +mp-1191355,GdIn2Ni9,-6.181750125,-0.2150234733,0.0,-0.00143504,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Gd-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Gd-In-Ni +mp-1192974,Gd11In9Ni4,-8.9599842908,-0.5131907521,0.0,-0.0264417508,GGA,Cmmm,A11B9C4_oC48_65_a2gip_c2q_q:Gd-In-Ni,24.0,A11B9C4_oC48_65_a2gip_c2q_q:Gd-In-Ni +mp-1206797,GdInNi4,-7.026984255,-0.3689254733,0.0,-0.0467345427,GGA,F-43m,ABC4_cF24_216_a_c_e:Gd-In-Ni,6.0,ABC4_cF24_216_a_c_e:Gd-In-Ni +mp-1076993,Gd2InNi2,-8.992067216,-0.499226902,0.0,-0.0323714819,GGA,Cmmm,A2BC2_oC10_65_h_a_g:Gd-In-Ni,5.0,A2BC2_oC10_65_h_a_g:Gd-In-Ni +mp-1095265,LiYbBi,-3.2319632508,-0.8022898253,0.0,-0.099708689,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Li-Yb,,ABC_oP12_62_c_c_c:Bi-Li-Yb +mp-1190782,LiYbBi,-3.2207142896,-0.7910408640000001,0.0112489613,-0.0884597277,GGA,P6_3mc,ABC_hP24_186_bc_bc_ac:Bi-Li-Yb,,ABC_hP24_186_bc_bc_ac:Bi-Li-Yb +mp-1077340,HoNi4Au,-5.5596491983,-0.3968429333,0.0,-0.0114247933,GGA,F-43m,ABC4_cF24_216_a_c_e:Au-Ho-Ni,6.0,ABC4_cF24_216_a_c_e:Au-Ho-Ni +mp-27832,Tl2SnCl6,-3.6361866556,-1.433289088,0.0,-0.05195553,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Sn-Tl,9.0,A6BC2_cF36_225_e_a_c:Cl-Sn-Tl +mp-1185076,LaHoIn2,-4.22802631,-0.4725804512,0.0,-0.0024150675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-La,4.0,AB2C_cF16_225_a_c_b:Ho-In-La +mp-866072,MgTaRh2,-7.612294035,-0.56562568,0.0,-0.0861657523,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Ta,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Ta +mp-640044,Pu2SnPd2,-8.383469947,0.19753248,0.670206787,0.670206787,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Pd-Pu-Sn,10.0,A2B2C_tP10_127_g_h_a:Pd-Pu-Sn +mp-580329,Pu3Sn,-11.974934125,-0.2716624138,0.0,-0.122012845,GGA,Pm-3m,A3B_cP4_221_c_a:Pu-Sn,4.0,A3B_cP4_221_c_a:Pu-Sn +mp-1102067,PuSn2,-7.82805953,-0.3990655167,0.0,-0.2783266661,GGA,I4_1/amd,AB2_tI24_141_e_2e:Pu-Sn,12.0,AB2_tI24_141_e_2e:Pu-Sn +mp-1210741,Pu2Sn3,-8.25189331,-0.139014865,0.2396661552,0.2396661552,GGA,I4_1/amd,A2B3_tI40_141_h_ch:Pu-Sn,20.0,A2B3_tI40_141_h_ch:Pu-Sn +mp-1079174,PuPd,-10.1721869712,-0.4483269012,0.0,-0.0181019175,GGA,Pnma,AB_oP8_62_c_c:Pd-Pu,8.0,AB_oP8_62_c_c:Pd-Pu +mp-22140,PuPd,-9.894838375,-0.170978305,0.2773485962,0.2592466788,GGA,Imma,AB_oI8_74_e_e:Pd-Pu,4.0,AB_oI8_74_e_e:Pd-Pu +mp-582399,Pu3Pd5,-8.40800771,0.179857795,0.7044130206,0.7044130206,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Pd-Pu,16.0,"Invalid WP multiplicities - A5B3_oC32_63_2c3f2g_c2e:Pd-Pu, expected Pu5Pd12 to be Pu3Pd5" +mp-2279,PuSn3,-6.432350165,0.1417883087,0.4410874463,0.4410874463,GGA,Pm-3m,AB3_cP4_221_a_c:Pu-Sn,4.0,AB3_cP4_221_a_c:Pu-Sn +mp-17717,Pu3Pd4,-9.5664060143,-0.4916856957,0.000200248,0.000200248,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Pu,14.0,A4B3_hR42_148_abf_f:Pd-Pu +mp-861601,PuPd3,-7.5216060725,-0.0697351325,0.5310484175,0.2170815233,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Pu,4.0,A3B_tI8_139_ad_b:Pd-Pu +mp-21085,PuPd3,-8.05265449,-0.60078355,0.0,-0.3139668942,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Pu,4.0,A3B_cP4_221_c_a:Pd-Pu +mp-1209494,SrCrGe2,-5.2938988242,-0.1467496658,0.2414693433,0.2414693433,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Sr,48.0,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Sr +mp-864715,HfInCo2,-7.01969914,-0.2883220525,0.0,-0.0114239888,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-In,4.0,A2BC_cF16_225_c_a_b:Co-Hf-In +mp-20469,YbIn3,-2.794787265,-0.3461223975,0.0,-0.0016854487,GGA,Pm-3m,A3B_cP4_221_c_a:In-Yb,,A3B_cP4_221_c_a:In-Yb +mp-980052,Yb3In,-2.06263537,-0.2200082275,0.068798781,0.068798781,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Yb,,AB3_cF16_225_a_bc:In-Yb +mp-865771,YbInPd2,-4.4358959275,-0.77313202,0.0,-0.066244923,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Yb,,AB2C_cF16_225_a_c_b:In-Pd-Yb +mp-21499,YbInPd,-3.9308411333,-0.7737831933,0.0,-0.0371510222,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Yb,,ABC_hP9_189_f_bc_g:In-Pd-Yb +mp-21267,Yb2InPd2,-4.032968053,-0.7948352710000001,0.013580947,0.013580947,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Yb,,AB2C2_tP10_127_a_g_h:In-Pd-Yb +mp-20240,YbIn2Pd,-3.7195926838,-0.6638782963000001,0.0,-0.0550156934,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Pd-Yb,,A2BC_oC16_63_f_c_c:In-Pd-Yb +mp-568058,YbIn2,-2.806907845,-0.459249265,0.0,-0.06236019,GGA,P6_3/mmc,A2B_hP6_194_f_b:In-Yb,,A2B_hP6_194_f_b:In-Yb +mp-567404,YbIn4Pd,-3.3978650083,-0.4434941733,0.0056874289,0.0056874289,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Pd-Yb,,"Invalid WP multiplicities - A4BC_oC24_63_a2c2f_c_c:In-Pd-Yb, expected YbIn7Pd to be YbIn4Pd" +mp-570322,Yb2In13Pd6,-3.8038663405,-0.4738474876,0.0280560752,0.0280560752,GGA,C2/m,A13B6C2_mC42_12_a6i_3i_i:In-Pd-Yb,,"Invalid WP multiplicities - A13B6C2_mC42_12_a12i_4i_i:In-Pd-Yb, expected Yb2In25Pd8 to be Yb2In13Pd6" +mp-680653,Yb8In3,-2.185236503,-0.3150621911,0.0,-0.0341216643,GGA,R-3c,A3B8_hR132_167_bce_2c2f:In-Yb,,A3B8_hR132_167_bce_2c2f:In-Yb +mp-581760,Yb2In,-2.287005185,-0.343371755,0.0205864998,0.0205864998,GGA,Pnma,AB2_oP12_62_c_2c:In-Yb,,"Invalid WP multiplicities - AB2_oP12_62_c_5c:In-Yb, expected Yb5In to be Yb2In" +mp-2459,YbIn,-2.644068435,-0.49842243,0.0,-0.09711192,GGA,Pm-3m,AB_cP2_221_a_b:In-Yb,,AB_cP2_221_a_b:In-Yb +mp-1218926,SnPtSe,-5.2428661133,-0.7173272291,0.0,-0.0804398014,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-Se-Sn,12.0,ABC_cP12_198_a_a_a:Pt-Se-Sn +mp-22238,TbSnPt,-5.96758409,-1.0625603317,0.0265162411,-0.1361195489,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Sn-Tb,12.0,ABC_oP12_62_c_c_c:Pt-Sn-Tb +mp-1079790,TbSnPt,-5.9941003311,-1.0890765728,0.0,-0.16263579,GGA,P-62m,ABC_hP9_189_ad_g_f:Pt-Sn-Tb,9.0,ABC_hP9_189_ad_g_f:Pt-Sn-Tb +mp-1078626,TbSnPt2,-6.1942277163,-0.9976765675,0.0,-0.0285543824,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Pt-Sn-Tb,8.0,A2BC_hP8_194_f_a_c:Pt-Sn-Tb +mp-1206314,TbSnPt2,-6.0153484938,-0.818797345,0.1788792225,0.1503248401,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Pt-Sn-Tb,8.0,A2BC_hP8_194_f_c_a:Pt-Sn-Tb +mp-1221948,MnGaIr2,-7.7772756425,-0.3105307239,0.0445577125,-0.0218450578,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ga-Ir-Mn,4.0,AB2C_tP4_123_a_h_b:Ga-Ir-Mn +mp-865088,MnGaIr2,-7.821833355,-0.3550884364,0.0,-0.0664027703,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ir-Mn,4.0,AB2C_cF16_225_a_c_b:Ga-Ir-Mn +mp-1206694,MnGaIr,-6.9497605833,0.0597545815,0.3931221968,0.3931221968,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Ir-Mn,3.0,ABC_cF12_216_c_a_b:Ga-Ir-Mn +mp-13513,SrNiGe2,-4.6984705112,-0.5195490504,0.0,-0.0152643162,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Sr,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Sr +mp-3207,Sr(NiGe)2,-5.009114672,-0.5099501673,0.0,-0.034600605,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Sr +mp-12521,SrNi3Ge2,-5.1585431042,-0.4458832369,0.0,-0.0050022086,GGA,P6_3/mmc,A2B3C_hP12_194_f_af_b:Ge-Ni-Sr,12.0,A2B3C_hP12_194_f_af_b:Ge-Ni-Sr +mp-1102589,SrNiGe,-4.5454317317,-0.5145457356,0.0,-0.0281992308,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Sr,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Sr +mp-12520,SrNi2Ge,-4.8872609,-0.4190622329,0.0,-0.0331529313,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Ge-Ni-Sr,8.0,AB2C_hP8_194_a_f_c:Ge-Ni-Sr +mp-29011,BiTePd,-4.41202299,-0.3574640456,0.1042001831,0.1042001831,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Pd-Te,12.0,ABC_cP12_198_a_a_a:Bi-Pd-Te +mp-9289,ZrSnTe,-6.054515575,-0.8209894489,0.0,-0.0266849125,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sn-Te-Zr,6.0,ABC_tP6_129_a_c_c:Sn-Te-Zr +mp-1097080,Hf2ZnTc,-4.7617589275,3.1219312263,3.4636380645,3.4636380645,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Tc-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Tc-Zn +mp-1184568,Hf2ZnTc,-8.218362895,-0.3346727412,0.007034097,0.007034097,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Tc-Zn,4.0,A2BC_cF16_225_c_a_b:Hf-Tc-Zn +mp-1186579,PmEuZn2,-4.6669447975,-0.2851869619,0.0,-0.0414972321,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Eu-Pm-Zn +mp-1186554,Pm3Eu,-6.057947805,0.0692093869,0.0692093869,0.0692093869,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Pm,8.0,AB3_hP8_194_c_h:Eu-Pm +mp-1186572,PmEu3,-8.815636915,0.0647500156,0.0647500156,0.0647500156,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Pm,8.0,A3B_hP8_194_h_c:Eu-Pm +mp-977115,NaSrHg2,-1.286433645,-0.3815887758,0.0071053994,0.0071053994,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Sr,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Sr +mp-1186184,NaSr3,-1.5559821125000002,0.0417693009,0.0417693009,0.0417693009,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Sr,8.0,AB3_hP8_194_c_h:Na-Sr +mp-1226821,CaAlGa,-3.3411859283,-0.4147620175,0.011115595,0.011115595,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Ca-Ga,6.0,ABC_mC12_12_i_i_i:Al-Ca-Ga +mp-9690,Ca(AlGa)2,-3.45805497,-0.347466253,0.0,-0.036054962,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ca-Ga,5.0,A2BC2_tI10_139_d_a_e:Al-Ca-Ga +mp-27233,SrAl,-2.8868565169,-0.1693218752,0.0381336772,0.0381336772,GGA,P2_13,AB_cP64_198_2a2b_2a2b:Al-Sr,64.0,"Invalid WP multiplicities - AB_cP64_198_2a5b_3a4b:Al-Sr, expected Sr15Al17 to be SrAl" +mp-1102672,Sr2Al,-2.3832443758,-0.0083901303,0.1299135713,0.1299135713,GGA,C2/c,AB2_mC24_15_f_2f:Al-Sr,12.0,AB2_mC24_15_f_2f:Al-Sr +mp-11224,Sr8Al7,-2.833939933,-0.1849413706,0.0086838117,0.0086838117,GGA,P2_13,A7B8_cP60_198_a2b_2a2b:Al-Sr,60.0,A7B8_cP60_198_a2b_2a2b:Al-Sr +mp-1079278,Sr(AlAu)2,-3.797664766,-0.6519829433000001,0.0,-0.0802528785,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Sr,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Sr +mp-1190136,SrAl2Au3,-3.80998911,-0.6429405911,0.0,-0.0550536092,GGA,Pnma,A2B3C_oP24_62_d_3c_c:Al-Au-Sr,24.0,A2B3C_oP24_62_d_3c_c:Al-Au-Sr +mp-1204001,Sr3Al2,-2.5802056722,-0.0682792682,0.0976851738,0.0976851738,GGA,P2_13,A2B3_cP60_198_2b_3a2b:Al-Sr,60.0,A2B3_cP60_198_2b_3a2b:Al-Sr +mp-1208483,Sr4Al,-1.775325106,0.3253848227,0.4083670436,0.4083670436,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Sr,10.0,AB4_cF40_227_a_e:Al-Sr +mp-2775,SrAl4,-3.566666578,-0.2323072233,0.0,-0.076198147,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Sr,5.0,A4B_tI10_139_de_a:Al-Sr +mp-22318,SrAl2,-3.3203968317,-0.2601817939,0.0013314183,0.0013314183,GGA,Imma,A2B_oI12_74_h_e:Al-Sr,6.0,A2B_oI12_74_h_e:Al-Sr +mp-1071777,SrAl2,-3.3086230583000003,-0.2484080206,0.0131051917,0.0131051917,GGA,P4/nmm,A2B_tP6_129_ac_c:Al-Sr,6.0,A2B_tP6_129_ac_c:Al-Sr +mp-1638,SrAl2,-3.3144741667,-0.2542591289,0.0072540833,0.0072540833,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Sr,6.0,A2B_cF24_227_c_b:Al-Sr +mp-1109,Sr5Al9,-3.2779892629000003,-0.2667285674,0.0,-0.0155039667,GGA,R-3m,A9B5_hR42_166_ach_b2c:Al-Sr,14.0,A9B5_hR42_166_ach_b2c:Al-Sr +mp-1095883,Ti2TcMo,-5.5966902875,3.6526279846,3.9499949186,3.9499949186,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Tc-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Tc-Ti +mp-866213,TiTc2Mo,-10.2119065225,-0.3463015183,0.0,-0.0980182188,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Mo-Tc-Ti +mp-11365,Ti3Cu,-6.9256242225,0.0207964575,0.1090442467,0.1090442467,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Ti,4.0,AB3_cP4_221_a_c:Cu-Ti +mp-1188441,TiCu4,-4.9434939615,-0.0850302222,0.0,-0.0104302285,GGA,Pnma,A4B_oP20_62_4c_c:Cu-Ti,20.0,A4B_oP20_62_4c_c:Cu-Ti +mp-1208489,Ti5Cu2,-6.7177363796,0.0931026808,0.193957297,0.193957297,GGA,Pbam,A2B5_oP28_55_gh_2g3h:Cu-Ti,28.0,A2B5_oP28_55_gh_2g3h:Cu-Ti +mp-622570,Ti2Cu3,-5.738053346,-0.1203325373,0.0003955267,0.0003955267,GGA,P4/nmm,A3B2_tP10_129_3c_2c:Cu-Ti,10.0,A3B2_tP10_129_6c_4c:Cu-Ti +mp-30599,Ti2Cu3,-5.692009376,-0.0742885673,0.0464394967,0.0464394967,GGA,I4/mmm,A3B2_tI10_139_ae_e:Cu-Ti,5.0,A3B2_tI10_139_ae_e:Cu-Ti +mp-742,Ti2Cu,-6.7477272867,-0.1176637189,0.0,-0.0271267911,GGA,I4/mmm,AB2_tI6_139_a_e:Cu-Ti,3.0,AB2_tI6_139_a_e:Cu-Ti +mp-1192264,Ti2Cu,-6.6551273408,-0.0250637731,0.0925999458,0.0654731547,GGA,Fd-3m,AB2_cF96_227_e_cf:Cu-Ti,24.0,AB2_cF96_227_e_cf:Cu-Ti +mp-2078,TiCu,-6.133154735,-0.1358053917,0.0,-0.012426847,GGA,P4/nmm,AB_tP4_129_c_c:Cu-Ti,4.0,AB_tP4_129_c_c:Cu-Ti +mp-11364,TiCu,-6.050485135,-0.0531357917,0.0826696,0.070242753,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Ti,2.0,AB_cP2_221_a_b:Cu-Ti +mp-1077023,TiCu2,-5.4645603417,-0.0999252228,0.0089035606,0.0089035606,GGA,Cmcm,A2B_oC12_63_g_c:Cu-Ti,6.0,A2B_oC12_63_g_c:Cu-Ti +mp-1096185,Ti2CuOs,-4.8120839175,2.9673056158,3.3887386325,3.3887386325,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Os-Ti +mp-2643,Ti3Cu4,-5.85201386,-0.1258277557,0.0,-0.0010744029,GGA,I4/mmm,A4B3_tI14_139_2e_ae:Cu-Ti,7.0,A4B3_tI14_139_2e_ae:Cu-Ti +mp-12546,TiCu3,-5.1415279988,-0.0932499921,0.0007046905,0.0007046905,GGA,Pmmn,A3B_oP8_59_ae_b:Cu-Ti,8.0,"Invalid WP multiplicities - A3B_oP8_59_a2e_b:Cu-Ti, expected TiCu5 to be TiCu3" +mp-867846,TaTiRe2,-11.6124580425,-0.4518770383,0.0,-0.1529644775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Re-Ta-Ti,4.0,A2BC_cF16_225_c_a_b:Re-Ta-Ti +mp-1093941,Ta2TiRe,-6.3528866075,4.6610070079,4.8909779575000005,4.8909779575000005,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Ta-Ti,4.0,AB2C_oI8_71_a_e_b:Re-Ta-Ti +mp-1187194,Ta2TiRe,-11.2407931125,-0.2268994971,0.0030714525,0.0030714525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Ta-Ti,4.0,AB2C_cF16_225_a_c_b:Re-Ta-Ti +mp-862937,PmMgZn2,-2.5691818225,-0.3516044244,0.0,-0.0978839258,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Pm-Zn +mp-1097230,Si2TcIr,-4.858082295,2.6543450012000003,3.2300347212,3.2300347212,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Ir-Si-Tc +mp-349,Yb3Si5,-4.3380327213,-0.3698558475,0.0397428131,0.0397428131,GGA,P-62m,A5B3_hP8_189_cf_g:Si-Yb,,A5B3_hP8_189_cf_g:Si-Yb +mp-1189414,YbSi3,-4.6325793062,-0.1786887137,0.1018982263,0.1018982263,GGA,I4/mmm,A3B_tI32_139_im_de:Si-Yb,,A3B_tI32_139_im_de:Si-Yb +mp-568551,Yb(CrSi)2,-6.57939645,-0.240128594,0.1602727548,0.1602727548,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Yb,,A2B2C_tI10_139_d_e_a:Cr-Si-Yb +mp-1188257,Yb5Si3,-3.3232808087,-0.3265313725,0.1249507475,0.1249507475,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Yb,,A3B5_hP16_193_g_dg:Si-Yb +mp-20101,Yb5Si4,-3.68695851,-0.4203681189,0.0669833136,0.0669833136,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Si-Yb,,A4B5_oP36_62_2cd_c2d:Si-Yb +mp-1077404,YbSi2,-4.5041973667,-0.37411592,0.0,-0.030084665,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Yb,,A2B_tI12_141_e_a:Si-Yb +mp-1671,YbSi2,-4.4356602533,-0.3055788067,0.0685371133,0.0384524483,GGA,P6/mmm,A2B_hP3_191_c_b:Si-Yb,,A2B_hP3_191_c_b:Si-Yb +mp-1188038,Yb3Cr,-3.192773985,0.3751940925,0.3751940925,0.3751940925,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Yb,,AB3_tI8_139_a_bd:Cr-Yb +mp-1187970,Yb3Cr,-3.16163544,0.4063326375,0.4063326375,0.4063326375,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Yb,,AB3_cP4_221_a_c:Cr-Yb +mp-1187957,Yb3Cr,-3.189201145,0.3787669325,0.3787669325,0.3787669325,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Yb,,AB3_cF16_225_a_bc:Cr-Yb +mp-1178782,Yb4Si7,-4.2218846459,-0.2095519795,0.19036957,0.19036957,GGA,P2_1/m,A7B4_mP22_11_7e_2f:Si-Yb,,"Invalid WP multiplicities - A7B4_mP22_11_11e_5f:Si-Yb, expected Yb10Si11 to be Yb4Si7" +mp-1207605,Yb4Si7,-4.3823474568,-0.3700147905,0.0299067591,0.0299067591,GGA,Cmcm,A7B4_oC44_63_3c2g_ef:Si-Yb,,"Invalid WP multiplicities - A7B4_oC44_63_3c3g_ef:Si-Yb, expected Yb4Si9 to be Yb4Si7" +mp-640566,Yb8Si11,-4.2145545568,-0.4253248426,0.0234915839,0.0234915839,GGA,Imm2,A11B8_oI38_44_2a3b3c_2a2b2c:Si-Yb,,"Invalid WP multiplicities - A11B8_oI38_44_2a3b5c_2a2b2c:Si-Yb, expected Yb8Si15 to be Yb8Si11" +mp-10651,YbSi,-3.9985100375,-0.5160468825,0.0,-0.0892319967,GGA,Cmcm,AB_oC8_63_c_c:Si-Yb,,AB_oC8_63_c_c:Si-Yb +mp-1187971,Yb3Si,-2.7375301338,-0.2264944162,0.0959759831,0.0959759831,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Yb,,AB3_hP8_194_c_h:Si-Yb +mp-1207599,Yb2Si,-3.2648053958,-0.4299605325,0.0,-0.0859292775,GGA,Pnma,AB2_oP12_62_c_2c:Si-Yb,,AB2_oP12_62_c_2c:Si-Yb +mp-1214241,Be15(Nb3Cu4)2,-5.3473096624,-0.1923897805,0.0,-0.0291006688,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Cu-Nb,29.0,A15B8C6_cF116_225_adf_f_e:Be-Cu-Nb +mp-1185035,LaErIn2,-4.2203680275,-0.4685946838,0.0,-0.005317905,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-La,4.0,AB2C_cF16_225_a_c_b:Er-In-La +mp-862612,ScPaTc2,-9.4853827375,-0.3432798238,0.0,-0.1145041481,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pa-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Pa-Sc-Tc +mp-1187538,YbPmCu2,-3.8515352225,-0.2293942369,0.0,-0.0104835244,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Yb,,A2BC_cF16_225_c_a_b:Cu-Pm-Yb +mp-1187549,YbPm3,-3.884250255,0.0635585569,0.0635585569,0.0635585569,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Yb,,A3B_tI8_139_ad_b:Pm-Yb +mp-981563,YbPm3,-3.8677985113,0.0800103006,0.0800103006,0.0800103006,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Yb,,A3B_hP8_194_h_c:Pm-Yb +mp-1187961,Yb3Pm,-2.2504749425,0.0918668481,0.0918668481,0.0918668481,GGA,Fm-3m,AB3_cF16_225_a_bc:Pm-Yb,,AB3_cF16_225_a_bc:Pm-Yb +mp-3868,Pr6Fe13Ag,-7.087217381,-0.0058040678,0.0186228453,0.0186228453,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Ag-Fe-Pr,40.0,"Invalid WP multiplicities - AB13C6_tI80_140_a_2d3k5l_fl:Ag-Fe-Pr, expected Pr6Fe34Ag to be Pr6Fe13Ag" +mp-973283,HoLuAg2,-4.033422035,-0.3413041858,0.0,-0.0431216162,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-Ho-Lu +mp-11524,TlNi,-3.84334862,0.2280412933,0.2280412933,0.2280412933,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-Tl,4.0,AB_hP4_194_a_c:Ni-Tl +mp-1093821,Sc2TlNi,-3.19058356,2.0113459492,2.3343884936,2.3343884936,GGA,Immm,AB2C_oI8_71_a_e_b:Ni-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Ni-Sc-Tl +mp-1095346,EuCdPt,-6.5039189342,-0.7535773075000001,0.0,-0.1010378417,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Eu-Pt,12.0,ABC_oP12_62_c_c_c:Cd-Eu-Pt +mp-1097310,MnBeIr2,-4.5018637475,3.1427103818,3.5046302225,3.4512227531,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Ir-Mn,4.0,AB2C_oI8_71_a_e_b:Be-Ir-Mn +mp-1185986,MnBeIr2,-8.00649397,-0.3619198407,0.0,-0.0534074694,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ir-Mn,4.0,AB2C_cF16_225_a_c_b:Be-Ir-Mn +mp-864943,MnBe2Ir,-6.822659355,-0.4528405545,0.0,-0.0951891212,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Mn,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Mn +mp-984791,CaTmCd2,-2.4057801725,-0.3239764667,0.0098182325,0.0098182325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Tm +mp-984767,DyHoIn2,-4.1239051825,-0.45076439,0.0,-0.0085513025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-In,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-In +mp-1096274,AgGeAu2,-2.2245413625,1.2762956021,1.3062661575,1.3062661575,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Ge,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Ge +mp-865998,HfGaIr2,-8.3890065625,-0.7234682094,0.012137372,0.012137372,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hf-Ir,4.0,ABC2_cF16_225_a_b_c:Ga-Hf-Ir +mp-1185247,Li2CeIn,-3.3171656725,-0.1915110179,0.0369840811,0.0369840811,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-In-Li,4.0,ABC2_cF16_225_a_b_c:Ce-In-Li +mp-1219099,SmCu4Pd,-4.6742766083,-0.2917275042,0.0092816217,0.0092816217,GGA,R3m,A4BC_hR18_160_ab_a_a:Cu-Pd-Sm,6.0,A4BC_hR18_160_ab_a_a:Cu-Pd-Sm +mp-867507,TaGaFe2,-8.2712192425,-0.3147402244,0.0,-0.1009507269,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Ta,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Ta +mp-1080793,PuTe3,-6.9714751825,-1.04703618,0.0,-0.1351962517,GGA,Cmcm,AB3_oC16_63_c_3c:Pu-Te,8.0,AB3_oC16_63_c_3c:Pu-Te +mp-1018953,PuSbTe,-8.2411616033,-1.0611131156,0.0,-0.1150554369,GGA,P4/nmm,ABC_tP6_129_c_a_c:Pu-Sb-Te,6.0,ABC_tP6_129_c_a_c:Pu-Sb-Te +mp-1186820,PuSb3,-7.1487405025,-0.48502999,0.0005733287,-0.0137672256,GGA,I4/mmm,AB3_tI8_139_a_bd:Pu-Sb,4.0,AB3_tI8_139_a_bd:Pu-Sb +mp-863035,PuSb3,-7.1493138312,-0.4856033188,0.0,-0.0143405544,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pu-Sb,8.0,AB3_hP8_194_c_h:Pu-Sb +mp-1209614,Pu4Sb3,-10.7067142471,-0.7840918129000001,0.0,-0.1562644943,GGA,I-43d,A4B3_cI28_220_c_a:Pu-Sb,14.0,A4B3_cI28_220_c_a:Pu-Sb +mp-1102456,PuSb2,-8.1369639558,-0.6283503525,0.0,-0.0604597383,GGA,Cmce,AB2_oC24_64_f_ef:Pu-Sb,12.0,AB2_oC24_64_f_ef:Pu-Sb +mp-684844,Pu2Te3,-8.9075400345,-1.3144211665,0.0,-0.0496485225,GGA,I-42d,A2B3_tI80_122_cde_3e:Pu-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_16e:Pu-Te, expected Pu17Te32 to be Pu2Te3" +mp-1019107,PuTe2,-8.0672699433,-1.2157865711,0.0,-0.0202031764,GGA,P4/nmm,AB2_tP6_129_c_ac:Pu-Te,6.0,AB2_tP6_129_c_ac:Pu-Te +mp-20438,PuTe,-9.966323055,-1.2607509433,0.07750081,-0.1653999712,GGA,Pm-3m,AB_cP2_221_a_b:Pu-Te,2.0,AB_cP2_221_a_b:Pu-Te +mp-1556,PuTe,-10.043823865,-1.3382517533,0.0,-0.2429007812,GGA,Fm-3m,AB_cF8_225_a_b:Pu-Te,2.0,AB_cF8_225_a_b:Pu-Te +mp-1219743,Pu2SbTe2,-8.70056701,-0.9103090727,0.261659498,0.261659498,GGA,P-4m2,A2BC2_tP5_115_g_a_g:Pu-Sb-Te,5.0,A2BC2_tP5_115_g_a_g:Pu-Sb-Te +mp-19933,PuSb,-9.909289615,-0.71086983,0.0264995447,0.0264995447,GGA,P4/mmm,AB_tP2_123_a_d:Pu-Sb,2.0,AB_tP2_123_a_d:Pu-Sb +mp-2566,PuSb,-9.93088499,-0.732465205,0.0049041697,0.0049041697,GGA,Fm-3m,AB_cF8_225_a_b:Pu-Sb,2.0,AB_cF8_225_a_b:Pu-Sb +mp-21263,PuSb,-9.87077619,-0.672356405,0.0650129697,0.0650129697,GGA,Pm-3m,AB_cP2_221_a_b:Pu-Sb,2.0,AB_cP2_221_a_b:Pu-Sb +mp-1184648,HfZrFe2,-9.1163078575,-0.2550748375,0.0045193575,0.0045193575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Hf-Zr,4.0,A2BC_cF16_225_c_a_b:Fe-Hf-Zr +mp-1224188,HfZrFe4,-9.0457364733,-0.31490739,0.0,-0.0015028817,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Hf-Zr,6.0,A4BC_cF24_216_e_a_c:Fe-Hf-Zr +mp-15121,RbFe2Te3,-5.0510240525,-0.4926083571,0.0878281564,0.0878281564,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Fe-Rb-Te,12.0,A2BC3_oC24_63_e_c_cg:Fe-Rb-Te +mp-1194713,Rb7(FeTe2)4,-4.1351576616,-0.6672486882,0.1416686582,0.1416686582,GGA,C2/c,A4B7C8_mC76_15_2f_e3f_4f:Fe-Rb-Te,38.0,A4B7C8_mC76_15_2f_e3f_4f:Fe-Rb-Te +mp-1185443,LiYbPb2,-3.117476945,-0.3990206233,0.0122617625,0.0122617625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pb-Yb,,AB2C_cF16_225_a_c_b:Li-Pb-Yb +mp-866180,Li2YbPb,-2.6817173225,-0.4141920517,0.0,-0.0228525709,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Yb,,A2BC_cF16_225_c_a_b:Li-Pb-Yb +mp-21242,LiYbPb,-2.8588457567,-0.4717863511,0.0,-0.0120963133,GGA,P-6m2,ABC_hP9_187_ah_cg_fi:Li-Pb-Yb,,"Invalid WP multiplicities - ABC_hP9_187_a2h_cg_fi:Li-Pb-Yb, expected Li5(YbPb)3 to be LiYbPb" +mp-1214910,Al2CdBr8,-3.4082960359,-1.5139080305,0.0,-0.011056225,GGA,Pc,A2B8C_mP22_7_2a_8a_a:Al-Br-Cd,22.0,A2B8C_mP22_7_2a_8a_a:Al-Br-Cd +mp-568690,CdBr2,-2.63647195,-1.29348981,0.0009963017,-1.29348981,GGA,R-3m,A2B_hR9_166_c_a:Br-Cd,3.0,A2B_hR9_166_c_a:Br-Cd +mp-568722,CdBr2,-2.6353902,-1.29240806,0.0020780517,-1.29240806,GGA,R-3m,A2B_hR18_166_2c_ab:Br-Cd,6.0,A2B_hR18_166_2c_ab:Br-Cd +mp-27934,CdBr2,-2.6374682517,-1.2944861117,0.0,-1.2944861117,GGA,P6_3mc,A2B_hP6_186_ab_b:Br-Cd,6.0,A2B_hP6_186_ab_b:Br-Cd +mp-1102246,LaSeCl,-5.9772912617,-2.5504728474,0.0090204788,0.0090204788,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-La-Se,12.0,ABC_oP12_62_c_c_c:Cl-La-Se +mp-1223184,La3Se4Cl,-6.2287750803,-2.3987495946,0.0068739522,0.0068739522,GGA,Pna2_1,AB3C4_oP32_33_a_3a_4a:Cl-La-Se,32.0,"Invalid WP multiplicities - AB3C4_oP32_33_a_8a_4a:Cl-La-Se, expected La8Se4Cl to be La3Se4Cl" +mp-642890,LaSe,-6.2049448087,-1.9889855174,0.2413306413,0.0092436231,GGA,P-1,AB_aP8_2_2i_2i:La-Se,8.0,AB_aP8_2_3i_3i:La-Se +mp-1065583,LaSe,-6.203389295,-1.9874300037,0.242886155,0.0107991369,GGA,C2/m,AB_mC8_12_i_i:La-Se,4.0,AB_mC8_12_i_i:La-Se +mp-1008999,LaSe,-6.202970135,-1.9870108437,0.243305315,0.0112182969,GGA,Pm-3m,AB_cP2_221_a_b:La-Se,2.0,AB_cP2_221_a_b:La-Se +mp-1161,LaSe,-6.44627545,-2.2303161587,0.0,-0.2320870181,GGA,Fm-3m,AB_cF8_225_a_b:La-Se,2.0,AB_cF8_225_a_b:La-Se +mp-1185605,LaSe3,-5.2686454825,-1.412710098,0.1419830232,0.1419830232,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Se,8.0,AB3_hP8_194_c_h:La-Se +mp-28223,LaSe2,-5.91626968,-1.9403263266,0.132597835,0.1097812126,GGA,P2_1/c,AB2_mP12_14_e_2e:La-Se,12.0,AB2_mP12_14_e_2e:La-Se +mp-570668,LaSe2,-6.048867515,-2.0729241616,0.0,-0.0228166224,GGA,P2_1/c,AB2_mP12_14_e_2e:La-Se,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_4e:La-Se, expected LaSe4 to be LaSe2" +mp-1019091,LaSe2,-6.0200624733,-2.0441191199,0.0288050417,0.0059884193,GGA,P4/nmm,AB2_tP6_129_c_ac:La-Se,6.0,AB2_tP6_129_c_ac:La-Se +mp-684726,La39Se56,-6.3764933609,-2.289384731,0.0151816302,0.0151816302,GGA,P1,A39B56_aP95_1_39a_56a:La-Se,95.0,A39B56_aP95_1_39a_56a:La-Se +mp-32798,La2Se3,-6.3852514078,-2.3133016792,0.0,-0.0509276168,GGA,I-42d,A2B3_tI80_122_cde_3e:La-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:La-Se, expected La9Se16 to be La2Se3" +mp-491,La3Se4,-6.3967857643,-2.2836904463,0.0059010841,0.0059010841,GGA,I-43d,A3B4_cI28_220_a_c:La-Se,14.0,A3B4_cI28_220_a_c:La-Se +mp-540675,SeCl4,-3.0127201785,-0.8347085550000001,0.0,-0.6346883165,GGA,C2/c,A4B_mC80_15_8f_2f:Cl-Se,40.0,A4B_mC80_15_8f_2f:Cl-Se +mp-667320,SeCl4,-2.9989205064,-0.8209088828000001,0.0137996721,-0.6208886444,GGA,P-43n,A4B_cP160_218_e5i_ei:Cl-Se,160.0,"Invalid WP multiplicities - A4B_cP160_218_7e93i_5e6i:Cl-Se, expected Se23Cl286 to be SeCl4" +mp-8866,La10Se19,-6.1132970793,-2.1208009026,0.0,-0.0064323414,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:La-Se,58.0,A10B19_tP58_86_e2g_ae4g:La-Se +mp-504825,SeCl,-3.172274665,-0.5000505962,0.0216422507,0.0216422507,GGA,P2_1/c,AB_mP16_14_2e_2e:Cl-Se,16.0,"Invalid WP multiplicities - AB_mP16_14_4e_6e:Cl-Se, expected Se3Cl2 to be SeCl" +mp-1093677,LiAg2Hg,-1.14375845,0.8256703596,1.0125724192,1.0125724192,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Hg-Li,4.0,A2BC_oI8_71_e_a_b:Ag-Hg-Li +mp-865874,Li2AgHg,-2.0385734225,-0.3000528971,0.0,-0.0022663325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Li,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Li +mp-1096330,LiAgHg2,-0.85986334,0.47734656,0.6642486196,0.6642486196,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Ag-Hg-Li +mp-1217675,Tb2ZnSb4,-4.6401443071,-0.7766470543,0.0,-0.0074251893,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:Sb-Tb-Zn,7.0,A4B2C_tP7_115_abg_g_c:Sb-Tb-Zn +mp-1206277,Tb2ZnSb3,-1.866400915,1.9528456733,2.8195757882,2.8195757882,GGA,P4/mmm,A3B2C_tP6_123_ag_g_b:Sb-Tb-Zn,6.0,A3B2C_tP6_123_ag_g_b:Sb-Tb-Zn +mp-1104798,Th(Al2Cu)4,-4.4185561031,-0.2819952131,0.0,-0.0187318198,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Th,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Th +mp-1187402,ThAlCu2,-5.1036495775,-0.2641877225,0.005349662,0.005349662,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Th,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Th +mp-12834,ThCu6,-4.7135960371,-0.1408677129,0.0,-0.0299825063,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Th,28.0,"Invalid WP multiplicities - A6B_oP28_62_4c2d_c:Cu-Th, expected ThCu8 to be ThCu6" +mp-1034,Th2Cu,-6.4045418217,-0.0955674317,0.0051136467,0.0051136467,GGA,I4/mcm,AB2_tI12_140_a_h:Cu-Th,6.0,AB2_tI12_140_a_h:Cu-Th +mp-579718,Th2Cu,-5.8189397033,0.4900346867,0.590715765,0.590715765,GGA,P6/mmm,AB2_hP3_191_a_d:Cu-Th,3.0,AB2_hP3_191_a_d:Cu-Th +mp-1377,ThCu2,-5.4054526867,-0.2013621567,0.0,-0.052898507,GGA,P6/mmm,A2B_hP3_191_c_b:Cu-Th,3.0,A2B_hP3_191_c_b:Cu-Th +mp-1217740,Th14Cu51,-4.9803123986,-0.1671807729,0.0,-0.0032786372,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Cu-Th,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Cu-Th, expected Th14Cu71 to be Th14Cu51" +mp-1093910,Sc2ZnNi,-2.854769115,2.07143551,2.5158068075,2.5158068075,GGA,Immm,AB2C_oI8_71_a_e_b:Ni-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Ni-Sc-Zn +mp-972935,ScZnNi2,-5.2080984025,-0.4199768838,0.0069887241,0.0069887241,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Ni-Sc-Zn +mp-1095845,LiTi2Os,-4.3271304,2.9046881825,3.2582185033,3.2582185033,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Li-Os-Ti +mp-505540,TiAsRh,-7.5159371158,-0.8762976853000001,0.0,-0.1118842545,GGA,Pnma,ABC_oP12_62_c_c_c:As-Rh-Ti,12.0,ABC_oP12_62_c_c_c:As-Rh-Ti +mp-961718,TiAsRh,-7.07227886,-0.4326394294,0.4436582558,0.3317740013,GGA,F-43m,ABC_cF12_216_a_b_c:As-Rh-Ti,3.0,ABC_cF12_216_a_b_c:As-Rh-Ti +mp-1199934,Ti3As,-7.7488932769,-0.6624946631,0.0,-0.0760188219,GGA,P4_2/n,AB3_tP32_86_g_3g:As-Ti,32.0,AB3_tP32_86_g_3g:As-Ti +mp-12071,Ti3As,-7.5841056212,-0.4977070075,0.1647876556,0.0887688337,GGA,Pm-3n,AB3_cP8_223_a_c:As-Ti,8.0,AB3_cP8_223_a_c:As-Ti +mp-10052,TiAs,-7.1834769725,-0.9061717617,0.0139558075,-0.0891261945,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Ti,4.0,AB_hP4_194_c_a:As-Ti +mp-1822,TiAs,-7.19743278,-0.9201275692,0.0,-0.103082002,GGA,P6_3/mmc,AB_hP8_194_ac_f:As-Ti,8.0,AB_hP8_194_ac_f:As-Ti +mp-568908,TiAs,-6.9624170425,-0.6851118317,0.2350157375,0.1319337355,GGA,P6_3/mmc,AB_hP4_194_a_c:As-Ti,4.0,AB_hP4_194_a_c:As-Ti +mp-1187559,TiAs3,-5.51036074,-0.0421489321,0.4348369513,0.4348369513,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Ti,8.0,A3B_hP8_194_h_c:As-Ti +mp-1201836,Ti5As3,-7.5615656741,-0.8797137618,0.0,-0.054714149,GGA,Pnma,A3B5_oP32_62_cd_3cd:As-Ti,32.0,A3B5_oP32_62_cd_3cd:As-Ti +mp-1208252,Ti5As3,-7.5478751306,-0.8660232183000001,0.0136905434,-0.0410236056,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Ti,16.0,A3B5_hP16_193_g_dg:As-Ti +mp-567082,Ti4As3,-7.4031193457,-0.8946445912000001,0.0023893737,0.0023893737,GGA,I-43d,A3B4_cI28_220_a_c:As-Ti,14.0,A3B4_cI28_220_a_c:As-Ti +mp-604647,TiAs2,-6.3738907867,-0.6359811778000001,0.0,-0.0225627983,GGA,Pnnm,A2B_oP24_58_4g_2g:As-Ti,24.0,"Invalid WP multiplicities - A2B_oP24_58_13g_7g:As-Ti, expected Ti7As13 to be TiAs2" +mp-672228,TiAs2,-6.0710609879,-0.333151379,0.3028297988,0.2802670004,GGA,Pnnm,A2B_oP24_58_4g_2g:As-Ti,24.0,"Invalid WP multiplicities - A2B_oP24_58_13g_8g:As-Ti, expected Ti8As13 to be TiAs2" +mp-1095771,Ti2CoOs,-5.346592755,3.1850745596,3.7454735175,3.7388649125,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Os-Ti +mp-1187422,Ti2CoOs,-9.0920662725,-0.5603989579,0.0,-0.006608605,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Os-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Os-Ti +mp-1187449,Th3Cr,-7.5957284413,0.3779271137,0.3779271137,0.3779271137,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Th,8.0,AB3_hP8_194_c_h:Cr-Th +mp-5400,Th(CrSi)2,-7.898902124,-0.384784274,0.0775354247,0.0775354247,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-Th +mp-1025341,Si2NiSe4,-4.79060119,-0.4171128113,0.292234833,0.292234833,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-Se-Si,7.0,AB4C2_mC14_12_a_2i_i:Ni-Se-Si +mp-1219269,Si(Ni3Se)2,-5.6529461156,-0.4198393305,0.0288735544,0.0288735544,GGA,I4mm,A6B2C_tI18_107_2a2b_2a_a:Ni-Se-Si,9.0,A6B2C_tI18_107_2a2b_2a_a:Ni-Se-Si +mp-1229228,Ba10Si69,-5.0120340829,-0.0305569504,0.0882632719,0.0882632719,GGA,Pmmm,A10B69_oP158_47_i3jmtxy_8A3kpquv4w3x3y4z:Ba-Si,158.0,"Invalid WP multiplicities - A10B69_oP158_47_i6j2m2t2x4y_60A6k2p2q4u4v16w12x12y14z:Ba-Si, expected Ba23Si374 to be Ba10Si69" +mp-9905,Ba2Si,-3.3778907825,-0.2901348125,0.0,-0.0233341058,GGA,Pnma,A2B_oP12_62_2c_c:Ba-Si,12.0,A2B_oP12_62_2c_c:Ba-Si +mp-1480,BaSi6,-4.9452661936,-0.0208543193,0.1132427888,0.1132427888,GGA,Cmcm,AB6_oC28_63_c_3f:Ba-Si,14.0,"Invalid WP multiplicities - AB6_oC28_63_c_4f:Ba-Si, expected BaSi8 to be BaSi6" +mp-669320,Ba5Si3,-3.5340043938,-0.300150795,0.0139452563,0.0139452563,GGA,P4/ncc,A5B3_tP32_130_cg_cf:Ba-Si,32.0,"Invalid WP multiplicities - A5B3_tP32_130_3c4g_3c3f:Ba-Si, expected Ba19Si9 to be Ba5Si3" +mp-30185,BaSi23,-5.17149734,0.1077230612,0.1468347178,0.1468347178,GGA,Pm-3n,AB23_cP48_223_a_cik:Ba-Si,48.0,AB23_cP48_223_a_cik:Ba-Si +mp-1190822,BaSi9Rh2,-5.8349244687,-0.3786367229,0.0,-0.025215341,GGA,C2/c,AB2C9_mC48_15_e_2e_e4f:Ba-Rh-Si,24.0,AB2C9_mC48_15_e_2e_e4f:Ba-Rh-Si +mp-1067235,BaSi,-4.05741085,-0.385264365,0.0007154025,-0.0409597688,GGA,C2/m,AB_mC8_12_i_i:Ba-Si,4.0,AB_mC8_12_i_i:Ba-Si +mp-2499,BaSi,-4.0581262525,-0.3859797675,0.0,-0.0416751713,GGA,Cmcm,AB_oC8_63_c_c:Ba-Si,4.0,AB_oC8_63_c_c:Ba-Si +mp-1237266,BaSi,-3.5454161600000003,0.126730325,0.5127100925,0.4710349212,GGA,Cmcm,AB_oC8_63_c_c:Ba-Si,4.0,AB_oC8_63_c_c:Ba-Si +mp-1619,Ba3Si4,-4.2901197807,-0.3675202179,0.0,-0.0128632427,GGA,P4_2/mnm,A3B4_tP28_136_def_ij:Ba-Si,28.0,A3B4_tP28_136_def_ij:Ba-Si +mp-18655,Ba(SiRh)2,-6.341346298,-0.84170095,0.0,-0.1922996545,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Rh-Si,20.0,AB2C2_mP20_14_e_2e_2e:Ba-Rh-Si +mp-640551,Ba4Si23,-4.9586707704,-0.0528109759,0.0862526917,0.0862526917,GGA,Pm-3n,A4B23_cP54_223_ac_dik:Ba-Si,54.0,"Invalid WP multiplicities - A4B23_cP54_223_2a2c_5d10i11k:Ba-Si, expected Ba8Si227 to be Ba4Si23" +mp-30186,Ba3Si23,-5.043101479,-0.0223614979,0.0859477048,0.0859477048,GGA,Pm-3n,A3B23_cP52_223_c_dik:Ba-Si,52.0,A3B23_cP52_223_c_dik:Ba-Si +mp-1477,BaSi2,-4.5694302521,-0.3128932521,0.0,-0.0270441937,GGA,Pnma,AB2_oP24_62_2c_2cd:Ba-Si,24.0,AB2_oP24_62_2c_2cd:Ba-Si +mp-1009827,BaSi2,-4.0903360333,0.1662009667,0.4790942187,0.452050025,GGA,I4/mmm,AB2_tI6_139_a_e:Ba-Si,3.0,AB2_tI6_139_a_e:Ba-Si +mp-7655,BaSi2,-4.55553033,-0.29899333,0.0138999221,-0.0131442717,GGA,P-3m1,AB2_hP3_164_a_d:Ba-Si,3.0,AB2_hP3_164_a_d:Ba-Si +mp-7701,BaSi2,-4.5334114767,-0.2768744767,0.0360187754,0.0089745817,GGA,P6/mmm,AB2_hP3_191_a_d:Ba-Si,3.0,AB2_hP3_191_a_d:Ba-Si +mp-7275,BaSi2,-4.5559892217,-0.2994522217,0.0134410304,-0.0136031633,GGA,P4_332,AB2_cP12_212_a_c:Ba-Si,12.0,AB2_cP12_212_a_c:Ba-Si +mp-16094,Ba6Si25,-4.8753153673,-0.1286443869,0.0530355659,0.0530355659,GGA,P4_132,A6B25_cP124_213_acd_2cd3e:Ba-Si,124.0,A6B25_cP124_213_acd_2cd3e:Ba-Si +mp-863741,Pm2PdRu,-6.4697903975,-0.4809481487,0.0,-0.2094740148,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Pd-Pm-Ru +mp-861956,LiPm2Ir,-5.504775165,-0.4426647421,0.0,-0.3096931937,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Pm,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Pm +mp-1095729,HfNbRe2,-6.7859952775,4.4508918325,4.7482106169,4.7482106169,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Nb-Re,4.0,ABC2_oI8_71_a_b_e:Hf-Nb-Re +mp-973456,Lu2TcAu,-6.123994615,-0.4548891187,0.1289399437,0.1289399437,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Au-Lu-Tc +mp-865174,HfCdRh2,-7.0704963175,-0.668322685,0.0,-0.0240640044,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hf-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Hf-Rh +mp-1183550,CaTmRh2,-5.958608855,-0.6560960942,0.0096046055,0.0096046055,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Tm +mp-977549,Zr2OsRu,-9.9920680025,-0.5927751950000001,0.0013800475,0.0013800475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-Zr,4.0,ABC2_cF16_225_a_b_c:Os-Ru-Zr +mp-1006057,LaPrIn2,-4.297531845,-0.492461765,0.0038215999999999,0.0038215999999999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-La-Pr,4.0,A2BC_cF16_225_c_a_b:In-La-Pr +mp-12006,CeCdNi4,-5.3431264933,-0.3470388875,0.0,-0.0346884927,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Ce-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Ce-Ni +mp-1214047,Ce4CdNi,-5.1811433567,-0.1085795133,0.0600294729,0.0600294729,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ce-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Ce-Ni +mp-1203677,Ce(Cd10Ni)2,-1.6378285361,-0.0747347224,0.0011004859,0.0011004859,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Cd-Ce-Ni,46.0,A20BC2_cF184_227_cfg_a_d:Cd-Ce-Ni +mp-1181047,Ho5SbAu2,-4.9611494819,-0.7625482831,0.0326446017,0.0326446017,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:Au-Ho-Sb,16.0,A2B5C_tI32_140_h_cl_a:Au-Ho-Sb +mp-1106363,Ho3Sb4Au3,-4.88044959,-0.8719618330000001,0.0,-0.0662696208,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Ho-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Ho-Sb +mp-861599,PuSnAu2,-6.6502346150000005,-0.4439410687,0.0,-0.0846403058,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pu-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Pu-Sn +mp-16044,Ca(As2Rh3)2,-6.5442492036,-0.6508018655000001,0.0,-0.0760287964,GGA,P-6m2,A4BC6_hP11_187_ak_c_jk:As-Ca-Rh,11.0,"Invalid WP multiplicities - A4BC6_hP11_187_a2k_c_j2k:As-Ca-Rh, expected CaAs7Rh9 to be Ca(As2Rh3)2" +mp-863651,Ho2CdIn,-3.6077059625,-0.397858155,0.0,-0.021067695,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ho-In,4.0,AB2C_cF16_225_a_c_b:Cd-Ho-In +mp-1223868,HoCdIn,-3.1137577233,-0.36143027,0.002532637,0.002532637,GGA,P-3m1,ABC_hP6_164_d_c_d:Cd-Ho-In,6.0,ABC_hP6_164_d_c_d:Cd-Ho-In +mp-866088,Hf2CoTc,-9.84108476,-0.49525106,0.0,-0.0526032888,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Hf-Tc,4.0,AB2C_cF16_225_a_c_b:Co-Hf-Tc +mp-15839,NdSbPt,-6.1623916133,-1.1729642825,0.0,-0.1359021656,GGA,P6_3mc,ABC_hP6_186_a_b_b:Nd-Pt-Sb,6.0,ABC_hP6_186_a_b_b:Nd-Pt-Sb +mp-11184,Nd3Sb4Pt7,-6.1017466393,-0.8647194609000001,0.0337359721,0.0337359721,GGA,C2/m,A3B7C4_mC28_12_ai_c3i_2i:Nd-Pt-Sb,14.0,"Invalid WP multiplicities - A3B7C4_mC28_12_ai_c5i_3i:Nd-Pt-Sb, expected Nd3Sb6Pt11 to be Nd3Sb4Pt7" +mp-1079347,La(AsRh)2,-6.775321445,-0.978749514,0.0,-0.076999179,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-La-Rh,10.0,A2BC2_tP10_129_ac_c_bc:As-La-Rh +mp-29815,LaAs2,-5.81423505,-1.0628204117,0.0,-0.020363525,GGA,Cc,A2B_mC48_9_8a_4a:As-La,24.0,A2B_mC48_9_8a_4a:As-La +mp-1102055,LaAs2,-5.8099110717,-1.0584964333,0.0043239783,-0.0160395467,GGA,P2_1/c,A2B_mP12_14_2e_e:As-La,12.0,A2B_mP12_14_2e_e:As-La +mp-10956,LaAsRh,-6.8096823817,-1.1565379217,0.0,-0.0557040554,GGA,I4_1md,ABC_tI12_109_a_a_a:As-La-Rh,6.0,ABC_tI12_109_a_a_a:As-La-Rh +mp-568959,La4As3,-6.1477866193,-1.3304461,0.0098556114,0.0098556114,GGA,I-43d,A3B4_cI28_220_a_c:As-La,14.0,A3B4_cI28_220_a_c:As-La +mp-20494,LaAs,-5.99123148,-1.193668725,0.370016605,0.0564896685,GGA,P4/mmm,AB_tP2_123_a_d:As-La,2.0,AB_tP2_123_a_d:As-La +mp-708,LaAs,-6.361248085,-1.56368533,0.0,-0.3135269365,GGA,Fm-3m,AB_cF8_225_a_b:As-La,2.0,AB_cF8_225_a_b:As-La +mp-1185145,LaAs3,-5.351763915,-0.623423335,0.1736919737,0.1736919737,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-La,8.0,A3B_hP8_194_h_c:As-La +mp-865000,HfScIr2,-9.4860487425,-0.9944171188,0.008809485,0.008809485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Sc,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Sc +mp-13413,ThCu5Sn,-4.7927755475,-0.2328521968,0.0,-0.0389552314,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sn-Th,28.0,A5BC_oP28_62_3cd_c_c:Cu-Sn-Th +mp-980084,Th(CuSn)2,-5.071979765,-0.345696705,0.0,-0.007134655,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Cu-Sn-Th,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_ac_b2c_c:Cu-Sn-Th, expected ThCu2Sn3 to be Th(CuSn)2" +mp-1217536,Th4Cu6Sn7,-5.1228715229,-0.2806552874,0.1032317363,0.1032317363,GGA,P4mm,A6B7C4_tP17_99_2a2c_a2b2c_2a2b:Cu-Sn-Th,17.0,"Invalid WP multiplicities - A6B7C4_tP17_99_2a4c_a2b4c_2a2b:Cu-Sn-Th, expected Th4Cu10Sn11 to be Th4Cu6Sn7" +mp-862740,Sr2TlCd,-2.056582405,-0.3904524517,0.0,-0.013047965,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Sr-Tl +mp-1186765,SrTl2Cd,-2.097169695,-0.2627523183,0.0081489327,0.0081489327,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Cd-Sr-Tl +mp-571581,SmSnPd,-5.5531411767000005,-0.91712791,0.0,-0.121420769,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sm-Sn,12.0,ABC_oP12_62_c_c_c:Pd-Sm-Sn +mp-978538,SmSnPd2,-5.5945316375,-0.822551235,0.0023012578,0.0023012578,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sm-Sn,4.0,A2BC_cF16_225_c_a_b:Pd-Sm-Sn +mp-1183565,CaYbGa2,-2.8762931125,-0.4759430612,0.0040893769,0.0040893769,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Ga-Yb,,AB2C_cF16_225_a_c_b:Ca-Ga-Yb +mp-5385,TbSnPd2,-5.6196101825,-0.8686847887,0.0,-0.023796346,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Tb,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Tb +mp-21401,TbSnPd,-5.5311431708,-0.9232032492,0.0,-0.1012910166,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sn-Tb,12.0,ABC_oP12_62_c_c_c:Pd-Sn-Tb +mp-1192719,Yb(SbSe2)2,-4.3746884089,-0.9773660274,0.0708177889,0.0708177889,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Sb-Se-Yb,,A2B4C_oP28_62_2c_4c_c:Sb-Se-Yb +mp-19973,LaCoGe3,-5.800396256,-0.617714563,0.0,-0.075793632,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Ge-La,5.0,"Invalid WP multiplicities - AB3C_tI10_107_a_a2b_a:Co-Ge-La, expected LaCoGe5 to be LaCoGe3" +mp-1095134,LaCoGe2,-5.9999963162,-0.6774011637,0.0,-0.0309409782,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-La,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-La +mp-1211797,La5CoGe3,-5.6554727644,-0.5824242217,0.0441063005,0.0441063005,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Co-Ge-La,18.0,AB3C5_hP18_193_b_g_dg:Co-Ge-La +mp-19939,La(CoGe)2,-6.27086534,-0.591125659,0.0,-0.049204728,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-La,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-La +mp-20761,LaCoGe,-6.1735975967,-0.6178133450000001,0.0,-0.0492728329,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Ge-La,6.0,ABC_tP6_129_a_c_c:Co-Ge-La +mp-1097381,Al2TcAu,-3.3280266825,1.9533914687,2.36632614,2.36632614,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Au-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Au-Tc +mp-1207463,Zn3(SnPt)2,-3.8719364821,-0.451844885,0.0,-0.0317353007,GGA,P6_3/mmc,A2B2C3_hP14_194_ac_f_de:Pt-Sn-Zn,14.0,A2B2C3_hP14_194_ac_f_de:Pt-Sn-Zn +mp-1026425,Mg14SnMo,-2.2556140362,0.0730823803,0.1286285093,0.1286285093,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Sn, expected Mg18SnMo to be Mg14SnMo" +mp-1026403,Mg14SnMo,-2.2661582787,0.0625381378,0.1180842668,0.1180842668,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Sn, expected Mg26SnMo to be Mg14SnMo" +mp-1021390,Mg6SnMo,-2.9259766706,0.1311361125,0.2149732206,0.2149732206,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Sn, expected Mg12SnMo to be Mg6SnMo" +mp-1021396,Mg6SnMo,-2.9143744288,0.1427383544,0.2265754625,0.2265754625,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Sn, expected Mg12SnMo to be Mg6SnMo" +mp-568419,Mg3Ir,-3.7538770546,-0.3440584721,0.0,-0.0639082757,GGA,P6_3cm,AB3_hP24_185_c_ab2c:Ir-Mg,24.0,"Invalid WP multiplicities - AB3_hP24_185_c_2a4b9c:Ir-Mg, expected Mg37Ir3 to be Mg3Ir" +mp-30739,Mg3Ir,-3.7386443487,-0.3288257663,0.0152327058,-0.0486755698,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Ir-Mg,8.0,AB3_hP8_194_c_bf:Ir-Mg +mp-569273,Mg44Ir7,-2.8069808579,-0.2132286725,0.0,-0.0034895758,GGA,F-43m,A7B44_cF408_216_2ef_4efg5h:Ir-Mg,102.0,"Invalid WP multiplicities - A7B44_cF408_216_4e3f_16e6f6g49h:Ir-Mg, expected Mg362Ir17 to be Mg44Ir7" +mp-1185575,Mg149Ir,-1.6787579091,-0.0302234982,0.0,-0.019739043,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ir-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Ir-Mg, expected Mg315Ir to be Mg149Ir" +mp-1185890,MgIr,-5.49702488,-0.277667765,0.0985494783,0.0759797913,GGA,Pmma,AB_oP4_51_e_f:Ir-Mg,4.0,AB_oP4_51_e_f:Ir-Mg +mp-683946,MgIr,-5.5955743583,-0.3762172433,0.0,-0.022569687,GGA,Cmce,AB_oC304_64_c2d2e2f6g_5f7g:Ir-Mg,152.0,"Invalid WP multiplicities - AB_oC304_64_3c7d8e8f44g_18f50g:Ir-Mg, expected Mg59Ir57 to be MgIr" +mp-1210677,Mg2Ir3,-6.300655718,-0.35748319,0.0,-0.0250684177,GGA,C2/m,A3B2_mC50_12_a3i2j_5i:Ir-Mg,25.0,A3B2_mC50_12_a3i2j_5i:Ir-Mg +mp-1210663,Mg7Ir3,-4.007121479,-0.23539519,0.1150950363,0.1150950363,GGA,Im-3m,A3B7_cI40_229_e_df:Ir-Mg,20.0,A3B7_cI40_229_e_df:Ir-Mg +mp-11883,MgIr2,-6.7289292617,-0.303213125,0.0,-0.0053104667,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ir-Mg,12.0,A2B_hP12_194_ah_f:Ir-Mg +mp-16860,Mg13Ir3,-3.2135673841,-0.2561334347,0.0153998224,0.0153998224,GGA,R-3c,A3B13_hR96_167_e_adef:Ir-Mg,32.0,A3B13_hR96_167_e_adef:Ir-Mg +mp-865360,Tm2MgIr,-5.3539671175,-0.5063708483,0.1017765144,0.1017765144,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mg-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Mg-Tm +mp-31499,Mg29Ir4,-2.668258524,-0.1906264583,0.000120006,0.000120006,GGA,F-43m,A4B29_cF396_216_3e_a2ef2g5h:Ir-Mg,99.0,A4B29_cF396_216_3e_a2ef2g5h:Ir-Mg +mp-1184025,Eu2MgIn,-6.515133485,-0.29864164,0.0,-0.0210159615,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-In-Mg,4.0,A2BC_cF16_225_c_a_b:Eu-In-Mg +mp-972914,Sc2AlCd,-4.6935638775,-0.3602129275,0.0082425625,0.0082425625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Sc +mp-1221618,MnBe4Al,-4.8156108867,-0.1714037897,0.0,-0.0257418992,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Be-Mn,6.0,AB4C_cF24_216_a_e_c:Al-Be-Mn +mp-4614,Tb(SiAg)2,-4.60117327,-0.3711504367,0.0,-0.0508018257,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Ag-Si-Tb +mp-1219464,SbAsRu,-6.3201655583,-0.29932483,0.0901394308,0.0901394308,GGA,P2/m,ABC_mP6_10_m_ce_n:As-Ru-Sb,6.0,ABC_mP6_10_m_ae_n:As-Ru-Sb +mp-631404,CrIrRu,-8.62353488,0.63175985,0.7386893478000001,0.7386893478000001,GGA,F-43m,ABC_cF12_216_a_b_c:Cr-Ir-Ru,3.0,ABC_cF12_216_a_b_c:Cr-Ir-Ru +mp-1226254,CrMoAs2,-7.6381098625,-0.183876265,0.0450929448,0.0450929448,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Cr-Mo,8.0,A2BC_oP8_26_ab_a_b:As-Cr-Mo +mp-1095837,Cr2ReMo,-6.452644165,4.1964238938,4.2006007531,4.2006007531,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Mo-Re,4.0,A2BC_oI8_71_e_a_b:Cr-Mo-Re +mp-631474,BiSb2Os,-5.154630105,0.6768346550000001,0.7457053644,0.7457053644,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Os-Sb,4.0,ABC2_cF16_225_a_b_c:Bi-Os-Sb +mp-865593,Lu2GaTc,-5.92240892,-0.3147499181,0.1280130991,0.1280130991,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Ga-Lu-Tc +mp-1185459,Lu2CdOs,-5.585051465,-0.2870119075,0.0493234599,0.0493234599,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Cd-Lu-Os +mp-1097342,Zr2OsRh,-5.87867632,3.04309282,3.7069691738,3.7069691738,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Os-Rh-Zr +mp-973286,LiLu2Pd,-4.5050121675,-0.4723357383,0.0148180842,0.0148180842,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Pd,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Pd +mp-977374,LiLuPd2,-4.9558240475,-0.7584147958,0.0045360384,0.0045360384,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Li-Lu-Pd +mp-1186651,PmSmTl2,-3.9345490825,-0.3859453948,0.0,-0.0657649444,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Pm-Sm-Tl +mp-1187003,Sm2IrAu,-6.1231198675,-0.735747755,0.0,-0.0423777085,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Sm,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Sm +mp-865779,Ga2CoRu,-5.91567356,-0.305945465,0.0040906175,0.0040906175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ga-Ru,4.0,AB2C_cF16_225_a_c_b:Co-Ga-Ru +mp-1209696,Sm12Co6Pb,-5.6162953674,-0.1960012905,0.0,-0.0314904104,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-Pb-Sm,19.0,A6BC12_cI38_204_e_a_g:Co-Pb-Sm +mp-1187504,YbSmAu2,-4.09690325,-0.8954136463000001,0.0001113812,0.0001113812,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sm-Yb,,A2BC_cF16_225_c_a_b:Au-Sm-Yb +mp-1532,NpNi2,-8.15458134,0.0147696738,0.1175491709,0.1175491709,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Np,6.0,A2B_cF24_227_c_b:Ni-Np +mp-1025137,NpNi5,-7.1032182183,-0.1284743715,0.0,-0.1284743715,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Np,6.0,A5B_hP6_191_cg_a:Ni-Np +mp-20821,NpGa3,-5.70347689,-0.1954599528,0.0,-0.0340287362,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Np,4.0,A3B_cP4_221_c_a:Ga-Np +mp-1080762,NpGa4,-5.177624766,-0.1655920118,0.0,-0.0092240495,GGA,Imma,A4B_oI20_74_aeh_e:Ga-Np,10.0,A4B_oI20_74_aeh_e:Ga-Np +mp-19849,NpGa2,-6.4891538,-0.1544965579,0.0192456224,0.0192456224,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Np,3.0,A2B_hP3_191_c_b:Ga-Np +mp-1025198,NpGa5Ni,-5.1521949929,-0.3138526395,0.0,-0.0501322711,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ni-Np,7.0,A5BC_tP7_123_ci_b_a:Ga-Ni-Np +mp-865926,Cd2PdRh,-3.8543283025,-0.2568360025,0.0,-0.0249143375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Cd-Pd-Rh +mp-861616,LiSc2Ir,-6.5196342,-0.6665603858,0.0,-0.067279261,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Sc +mp-1200686,Tb3Ge13Os4,-6.2868407578,-0.341244251,0.0,-0.0016681197,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Tb,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Os-Tb +mp-1186804,Pu2HgGe,-8.626966635,-0.261370415,0.0,-0.0178628113,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hg-Pu,4.0,ABC2_cF16_225_a_b_c:Ge-Hg-Pu +mp-1016,PuGe2,-8.1718529833,-0.3338883033,0.0303504071,0.0303504071,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Pu,6.0,A2B_tI12_141_e_a:Ge-Pu +mp-581934,Pu3Ge,-12.13481733,-0.2781816188,0.0,-0.1510315758,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Pu,4.0,AB3_cP4_221_a_c:Ge-Pu +mp-21484,PuGe3,-7.4156806025,-0.3814501288,0.0,-0.1310339012,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Pu,4.0,A3B_cP4_221_c_a:Ge-Pu +mp-1186728,Pr3Sc,-5.11758912,0.0512074725,0.0512074725,0.0512074725,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Sc,4.0,A3B_tI8_139_ad_b:Pr-Sc +mp-1186730,Pr3Sc,-5.1159421063,0.0528544863,0.0528544863,0.0528544863,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Sc,8.0,A3B_hP8_194_h_c:Pr-Sc +mp-4738,PrScGe,-5.9559158817,-0.71044831,0.0,-0.0123838679,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-Pr-Sc,6.0,ABC_tI12_139_e_e_c:Ge-Pr-Sc +mp-1200738,Pr5(Sn5Rh2)2,-5.6543667903,-0.7355521163000001,0.0,-0.035080979,GGA,P4/mbm,A5B4C10_tP38_127_a2h_i_gij:Pr-Rh-Sn,38.0,A5B4C10_tP38_127_a2h_i_gij:Pr-Rh-Sn +mp-12381,PrSnRh,-6.2208214267,-0.8358929333,0.0,-0.1342301921,GGA,P-62m,ABC_hP9_189_f_ad_g:Pr-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Pr-Rh-Sn +mp-683897,Pr3Sn13Rh4,-5.3699691325,-0.5737499895,0.0,-0.0253594254,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Pr-Rh-Sn,40.0,"Invalid WP multiplicities - A3B4C13_cP40_223_c_e_2a3k:Pr-Rh-Sn, expected Pr3(Sn19Rh2)2 to be Pr3Sn13Rh4" +mp-1194179,Pr(Sn2Rh)2,-5.7103865311,-0.6321281146000001,0.0,-0.0377881791,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Pr-Rh-Sn,28.0,AB2C4_oP28_62_c_2c_4c:Pr-Rh-Sn +mp-1097070,ZrGaRh2,-4.70690812,1.8691949781,2.7011572425,2.6390930353,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Ga-Rh-Zr +mp-1188021,ZrGaRh2,-7.4080653625,-0.8319622644,0.0,-0.0620642072,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Zr +mp-1078756,ZrGaRh,-7.1369199611,-0.8235517869000001,0.0,-0.0601068244,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Rh-Zr,9.0,ABC_hP9_189_f_bc_g:Ga-Rh-Zr +mp-1193205,Zr6Ga16Rh7,-5.8725464893,-0.6557914814,0.0019322582,0.0019322582,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Zr +mp-1205954,LaSnIr,-6.7563371067,-0.8283327267,0.0,-0.0944118225,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-La-Sn,9.0,ABC_hP9_189_ad_f_g:Ir-La-Sn +mp-1198240,La5(Sn5Ir2)2,-5.974589125,-0.7046159253000001,0.0,-0.012668771,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Ir-La-Sn,38.0,A4B5C10_tP38_127_i_a2h_gij:Ir-La-Sn +mp-1223426,La2Sn4Ir,-5.62428284,-0.6601777243,0.0384184421,0.0384184421,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Ir-La-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Ir-La-Sn +mp-1197480,La3Sn13Ir4,-5.6631331975,-0.54882359,0.0,-0.0499858834,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ir-La-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Ir-La-Sn +mp-1206035,RbSb3,-3.1227529638,0.2191314844,0.52595649,0.52595649,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Rb-Sb,8.0,AB3_hP8_194_c_bf:Rb-Sb +mp-31493,RbGa3,-2.6850123842,-0.1688068492,0.0,-0.0800700661,GGA,I-4m2,A3B_tI24_119_a2i_bf:Ga-Rb,12.0,A3B_tI24_119_a2i_bf:Ga-Rb +mp-1460,RbGa7,-2.8756770256,-0.1035262469,0.0,-0.0191228223,GGA,R-3m,A7B_hR48_166_c2h_c:Ga-Rb,16.0,A7B_hR48_166_c2h_c:Ga-Rb +mp-975015,Rb3Ga,-1.2770032275,0.2154213325,0.2716902822,0.2716902822,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Rb,4.0,AB3_tI8_139_a_bd:Ga-Rb +mp-16319,Rb3Sb,-2.1633257438,-0.3956748794,0.0,-0.1177559189,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Rb-Sb,8.0,A3B_hP8_194_bf_c:Rb-Sb +mp-33018,Rb3Sb,-2.1316903575,-0.3640394931,0.0316353863,-0.0861205327,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Sb,4.0,A3B_cF16_225_ac_b:Rb-Sb +mp-29371,Rb2GaSb2,-3.1396953012,-0.4902619717,0.0,-0.0705660583,GGA,Pnma,AB2C2_oP40_62_2c_2d_4c:Ga-Rb-Sb,40.0,"Invalid WP multiplicities - AB2C2_oP40_62_3c_5d_4c:Ga-Rb-Sb, expected Rb10Ga3Sb4 to be Rb2GaSb2" +mp-568018,RbSb2,-3.4886121917,-0.4091000075,0.0,-0.0656760429,GGA,C2/m,AB2_mC12_12_i_2i:Rb-Sb,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Rb-Sb, expected RbSb3 to be RbSb2" +mp-1219574,Rb5Sb4,-2.8739309656,-0.4940781519,0.0,-0.005489109,GGA,Cm,A5B4_mC18_8_5a_4a:Rb-Sb,9.0,A5B4_mC18_8_5a_4a:Rb-Sb +mp-10487,RbSb,-3.0699036031,-0.5151359469,0.0,-0.042302331,GGA,P2_1/c,AB_mP16_14_2e_2e:Rb-Sb,16.0,AB_mP16_14_2e_2e:Rb-Sb +mp-7444,RbSb,-3.0698935444,-0.5151258881,1.00588e-05,-0.0422922723,GGA,P2_12_12_1,AB_oP16_19_2a_2a:Rb-Sb,16.0,AB_oP16_19_2a_2a:Rb-Sb +mp-1009650,RbSb,-2.151546125,0.4032215313,0.9183574781,0.8760551471,GGA,F-43m,AB_cF8_216_a_c:Rb-Sb,2.0,AB_cF8_216_a_c:Rb-Sb +mp-1002227,RbSb,-2.328552675,0.2262149813,0.7413509281,0.6990485971,GGA,Fm-3m,AB_cF8_225_a_b:Rb-Sb,2.0,AB_cF8_225_a_b:Rb-Sb +mp-1190112,Sm2Ge5Rh3,-6.274812916,-0.8102894005,0.0,-0.0395685177,GGA,C2/c,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Sm,20.0,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Sm +mp-1209148,SmGe3Rh5,-6.8761770748,-0.7195982915,0.0190512985,0.0190512985,GGA,P6_3/m,A3B5C_hP54_176_3h_5h_h:Ge-Rh-Sm,54.0,A3B5C_hP54_176_3h_5h_h:Ge-Rh-Sm +mp-1211968,SmGe3Rh5,-6.8514379493,-0.6948591659000001,0.0437904241,0.0437904241,GGA,P6_3/m,A3B5C_hP108_176_6h_10h_2h:Ge-Rh-Sm,108.0,A3B5C_hP108_176_6h_10h_2h:Ge-Rh-Sm +mp-1204494,Sm3Ge13Rh4,-5.7329527245000005,-0.5473351245,0.0259035614,0.0259035614,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Sm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Sm +mp-1103010,Sm(Ge2Rh3)2,-6.8699585645,-0.7429999486000001,0.0,-0.0551233124,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:Ge-Rh-Sm,11.0,A4B6C_hP11_187_ak_jk_c:Ge-Rh-Sm +mp-1103463,SmGeRh,-6.483359775,-0.914719155,0.0,-0.0300461581,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Sm +mp-1205901,Sm2Ge6Rh,-5.4757956789,-0.5269459822,0.0669012229,0.0669012229,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Rh-Sm,,A6BC2_oC18_38_2a4b_b_2a:Ge-Rh-Sm +mp-31402,Sm2GeRh3,-6.860705495,-0.8351848725000001,0.0,-0.0324274725,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ge-Rh-Sm,6.0,AB3C2_hR18_166_a_d_c:Ge-Rh-Sm +mp-1208959,Sm3(GeRh)2,-6.3243659575,-0.8771616925,0.0,-0.0259750094,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Sm,28.0,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Sm +mp-5161,Sm(GeRh)2,-6.63384034,-0.895188823,0.0,-0.0782432952,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Sm,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Sm +mp-1206581,Sm2Ge2Rh,-6.108587019,-0.899079849,0.0,-0.004097663,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Rh-Sm,10.0,A2BC2_mC20_12_2i_i_2i:Ge-Rh-Sm +mp-1220337,Nb6AlSb,-8.7947682412,-0.2344673275,0.0381687408,0.0381687408,GGA,Pm-3,AB6C_cP8_200_a_f_b:Al-Nb-Sb,8.0,AB6C_cP8_200_a_f_b:Al-Nb-Sb +mp-1096166,BeAlCo2,-2.8844532025,2.5409528688,2.9996287725,2.9996287725,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Be-Co,4.0,ABC2_oI8_71_a_b_e:Al-Be-Co +mp-631515,CaHfZn,-3.4871811533,0.9203296867,1.098533527,1.098533527,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Hf-Zn,3.0,ABC_cF12_216_a_c_b:Ca-Hf-Zn +mp-1096485,Ti2NbPt,-5.0199585825,2.9708970158,3.5291105558,3.5291105558,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Pt-Ti,4.0,ABC2_oI8_71_a_b_e:Nb-Pt-Ti +mp-1100432,ScSiAg,-4.7500391767,0.1134085361,0.6476954328,0.6476954328,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Sc-Si,3.0,ABC_cF12_216_a_c_b:Ag-Sc-Si +mp-1095827,ReSi2Tc,-5.27465945,3.1392910975,3.5700191345,3.5700191345,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Re-Si-Tc +mp-1096536,ReSiTc2,-5.88677542,3.7610053562,4.0069403344,4.0069403344,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Re-Si-Tc +mp-9042,Np(SiPd)2,-7.413729198,-0.5820933258000001,0.0,-0.1154419104,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Np-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Np-Pd-Si +mp-1097307,Zr2PtAu,-4.2922541725,2.3178499725,3.1073313575,3.1073313575,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Au-Pt-Zr +mp-631340,SrLaZr2,-5.3256953825,0.6045300721,0.6045300721,0.6045300721,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Sr-Zr,4.0,ABC2_cF16_225_a_b_c:La-Sr-Zr +mp-1187148,Sr3Zr,-2.9035374925,0.500507755,0.500507755,0.500507755,GGA,I4/mmm,A3B_tI8_139_ad_b:Sr-Zr,4.0,A3B_tI8_139_ad_b:Sr-Zr +mp-1187139,Sr3Zr,-2.8851475975,0.51889765,0.51889765,0.51889765,GGA,Pm-3m,A3B_cP4_221_c_a:Sr-Zr,4.0,A3B_cP4_221_c_a:Sr-Zr +mp-1186504,Pm3Dy,-4.688446395,0.0261570569,0.0261570569,0.0261570569,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Pm,8.0,AB3_hP8_194_c_h:Dy-Pm +mp-1186490,Pm3Dy,-4.704559615,0.0100438369,0.0100438369,0.0100438369,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Pm,4.0,AB3_cP4_221_a_c:Dy-Pm +mp-973881,PmDy3,-4.62095061,0.0217751006,0.0217751006,0.0217751006,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Pm,4.0,A3B_tI8_139_ad_b:Dy-Pm +mp-1186565,PmDy3,-4.6224297862,0.0202959244,0.0202959244,0.0202959244,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Pm,8.0,A3B_hP8_194_h_c:Dy-Pm +mp-1186552,PmDy3,-4.6244623075,0.0182634031,0.0182634031,0.0182634031,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Pm,4.0,A3B_cP4_221_c_a:Dy-Pm +mp-984549,PmDyRh2,-6.79217096,-0.7706847344000001,0.0,-0.2059691121,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Pm-Rh +mp-1024977,YbNi4Au,-4.9450591933,-0.28938636,0.0398612158,0.0398612158,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Ni-Yb,,AB4C_cF24_216_a_e_c:Au-Ni-Yb +mp-865039,HfTc2Sn,-8.906910565,-0.2349008713,0.0366560269,0.0366560269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Sn-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Sn-Tc +mp-865829,Lu2CuIr,-6.19292321,-0.6980377375,0.0,-0.0187005219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Lu,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Lu +mp-862609,ScReTc2,-10.0776377475,-0.2030692025,0.045900531,0.045900531,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Re-Sc-Tc +mp-1093833,Hf2ReHg,-4.8614569475,3.304189455,3.5450791455,3.5450791455,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Hg-Re,4.0,A2BC_oI8_71_e_a_b:Hf-Hg-Re +mp-1183560,CaSmAg2,-3.4087042475,-0.3113797421,0.0,-0.00422447,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Sm +mp-600232,NpNiSn,-7.6902625492,-0.1110998104,0.054787413,0.054787413,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Np-Sn,12.0,ABC_oP12_62_c_c_c:Ni-Np-Sn +mp-865222,Dy2RuRh,-7.0863327675,-0.6232617450000001,0.0,-0.0110677407,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Dy-Rh-Ru +mp-678358,Hf5ZrTe8,-7.0009783082,-1.0381145277,0.0,-0.0176539086,GGA,P1,A5B8C_aP56_1_20a_32a_4a:Hf-Te-Zr,56.0,A5B8C_aP56_1_20a_32a_4a:Hf-Te-Zr +mp-1225105,FeAsRh,-6.9099484822,-0.0787993206,0.2419561497,0.2419561497,GGA,Amm2,ABC_oC6_38_a_b_a:As-Fe-Rh,9.0,ABC_oC6_38_a_b_a:As-Fe-Rh +mp-1225012,FeAsRh,-7.0063180778,-0.1751689161,0.1455865542,0.1455865542,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Fe-Rh,9.0,ABC_hP9_189_ad_f_g:As-Fe-Rh +mp-1093805,Zr2CoIr,-5.35508181,2.9054564988,3.5008233947000003,3.5008233947000003,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ir-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Ir-Zr +mp-1214229,Be15(Nb3Ni4)2,-6.0019771666,-0.3833524543,0.0,-0.0466323057,GGA,Fm-3m,A15B6C8_cF116_225_adf_e_f:Be-Nb-Ni,29.0,A15B6C8_cF116_225_adf_e_f:Be-Nb-Ni +mp-1184811,InGa3,-2.8933301937,0.0656627556,0.0656627556,0.0656627556,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-In,8.0,A3B_hP8_194_h_c:Ga-In +mp-1184785,InGa3,-2.9183770025,0.0406159469,0.0406159469,0.0406159469,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-In,4.0,A3B_cP4_221_c_a:Ga-In +mp-1187890,Yb2InGa,-2.700233225,-0.4854841469,0.0053952118,0.0053952118,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-In-Yb,,ABC2_cF16_225_a_b_c:Ga-In-Yb +mp-1184904,In3Ga,-2.767238195,0.0535486081,0.0535486081,0.0535486081,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-In,4.0,AB3_tI8_139_a_bd:Ga-In +mp-974309,In3Ga,-2.7744793925,0.0463074106,0.0463074106,0.0463074106,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-In,4.0,AB3_cF16_225_a_bc:Ga-In +mp-1183581,CaTmHg2,-2.2873218325,-0.5151228242,0.001906115,0.001906115,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Tm +mp-1227426,BiTeRh,-5.3071376267,-0.5244366622000001,0.0,-0.0702616667,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Rh-Te,12.0,ABC_cP12_198_a_a_a:Bi-Rh-Te +mp-31452,ZrNiBi,-6.3805486233,-0.32443981,0.0708959822,0.0708959822,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Zr,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Zr +mp-1205899,Zr6NiBi2,-7.5738575456,-0.3797110211,0.0,-0.0625220181,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Ni-Zr,9.0,A2BC6_hP9_189_c_b_fg:Bi-Ni-Zr +mp-1187455,ThInCu2,-4.8397931425,-0.2488043125,0.0,-0.0031330427,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Th,4.0,A2BC_cF16_225_c_a_b:Cu-In-Th +mp-21670,ThInCu5,-4.588429765,-0.2082047179,0.0,-0.049004725,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-In-Th,28.0,A5BC_oP28_62_3cd_c_c:Cu-In-Th +mp-983236,Pm2ZnOs,-5.6526685825000005,-0.1556196612,0.0,-0.048554449,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Os-Pm-Zn +mp-1219724,PrCdIn,-3.2473398667,-0.428846785,0.0,-0.0039355007,GGA,P-3m1,ABC_hP6_164_d_d_c:Cd-In-Pr,6.0,ABC_hP6_164_d_d_c:Cd-In-Pr +mp-1095793,ZnCdRh2,-2.107473915,2.1203383625,2.31252416,2.31252416,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Rh-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Rh-Zn +mp-1080712,LiSmSn2,-4.184793535,-0.5231303571,0.0502130623,0.0502130623,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Li-Sm-Sn,8.0,ABC2_oC16_63_c_c_2c:Li-Sm-Sn +mp-1197729,Li2Sm5Sn7,-4.630984698,-0.6682861699,0.0,-0.0164524639,GGA,P2_12_12_1,A2B5C7_oP56_19_2a_5a_7a:Li-Sm-Sn,56.0,A2B5C7_oP56_19_2a_5a_7a:Li-Sm-Sn +mp-1190768,LiSmSn,-4.2092509104,-0.6635572915,0.0,-0.0795056212,GGA,P6_3mc,ABC_hP24_186_bc_ac_bc:Li-Sm-Sn,24.0,ABC_hP24_186_bc_ac_bc:Li-Sm-Sn +mp-1220104,Np(Al2Cr)4,-6.3139101954,-0.0427889491,0.0929764198,0.0929764198,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Np,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Np +mp-1192941,Nb8PtSe20,-6.4824462241,-1.0755564589,0.0,-0.0056821056,GGA,C2/m,A8BC20_mC58_12_4i_a_10i:Nb-Pt-Se,29.0,A8BC20_mC58_12_4i_a_10i:Nb-Pt-Se +mp-862833,PaZnAu2,-4.6755762675,-0.3450332,0.0,-0.0722460236,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pa-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Pa-Zn +mp-865261,Lu2ZnOs,-5.7555628575,-0.3733098375,0.0,-0.0079797368,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Os-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Os-Zn +mp-1218308,Ta2Se8Br,-5.7953574111,-0.9557323737,0.0,-0.078358597,GGA,P2_1/c,AB8C2_mP88_14_2e_16e_4e:Br-Se-Ta,88.0,AB8C2_mP88_14_2e_16e_4e:Br-Se-Ta +mp-29412,Ta3Br7,-5.9710821545,-1.3266290345,0.0,-0.0040076185,GGA,Cmce,A7B3_oC80_64_def2g_fg:Br-Ta,40.0,A7B3_oC80_64_def2g_fg:Br-Ta +mp-1198538,Ta3Br7,-5.9637500987,-1.3192969787,0.0073320558,0.0033244373,GGA,Cmce,A7B3_oC80_64_def2g_fg:Br-Ta,40.0,A7B3_oC80_64_def2g_fg:Br-Ta +mp-1203015,TaBr5,-4.7284500506,-1.4579635039,0.0,-0.6706888515,GGA,C2/m,A5B_mC72_12_3i6j_gj:Br-Ta,36.0,A5B_mC72_12_3i6j_gj:Br-Ta +mp-568846,TaBr5,-4.7282149571000005,-1.4577284104,0.0002350935,-0.6704537580000001,GGA,Pnma,A5B_oP48_62_2c4d_d:Br-Ta,48.0,"Invalid WP multiplicities - A5B_oP48_62_7c29d_d:Br-Ta, expected Ta2Br65 to be TaBr5" +mp-541758,Ta2Se17Br12,-4.1597591763,-0.8764562621,0.0,-0.2103003526,GGA,P-1,A12B17C2_aP62_2_12i_17i_2i:Br-Se-Ta,62.0,A12B17C2_aP62_2_12i_17i_2i:Br-Se-Ta +mp-29589,Ta3(Se4Br3)2,-5.4248187891,-1.1390073367,0.0,-0.006016917,GGA,P-1,A6B8C3_aP34_2_6i_8i_3i:Br-Se-Ta,34.0,"Invalid WP multiplicities - A6B8C3_aP34_2_8i_10i_3i:Br-Se-Ta, expected Ta3(Se5Br4)2 to be Ta3(Se4Br3)2" +mp-680077,Ta2Br5,-5.8468561055,-1.3496136898,0.0,-0.008913105,GGA,Ia-3d,A5B2_cI336_230_g2h_h:Br-Ta,168.0,"Invalid WP multiplicities - A5B2_cI336_230_21g67h_h:Br-Ta, expected Ta2Br155 to be Ta2Br5" +mp-1186305,NdEr3,-4.60151799,0.0163079756,0.0163079756,0.0163079756,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Nd,8.0,A3B_hP8_194_h_c:Er-Nd +mp-1186300,NdEr3,-4.59241958,0.0254063856,0.0254063856,0.0254063856,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Nd,4.0,A3B_cP4_221_c_a:Er-Nd +mp-974638,NdErZn2,-3.2884934325,-0.3246550669,0.00984156,0.00984156,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Nd-Zn +mp-1186267,Nd3Er,-4.6911473762,0.0268929006,0.0268929006,0.0268929006,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Nd,8.0,AB3_hP8_194_c_h:Er-Nd +mp-1018952,PrZnIn,-3.376218735,-0.4454410367,0.0,-0.0084591844,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:In-Pr-Zn,6.0,ABC_hP6_194_c_a_d:In-Pr-Zn +mp-1186712,Pr2ZnIn,-3.6806977425,-0.28738803,0.10956073,0.10956073,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pr-Zn,4.0,AB2C_cF16_225_a_c_b:In-Pr-Zn +mp-1184086,Er2MgCd,-3.09797936,-0.1833275025,0.008728465,0.008728465,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Er-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Er-Mg +mp-863672,ErMgCd2,-2.29097844,-0.287533845,0.0,-0.0603904067,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Er-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Er-Mg +mp-865413,Lu2TcPd,-6.6436095975,-0.4980041487,0.0932871169,0.0932871169,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pd-Tc,4.0,A2BC_cF16_225_c_a_b:Lu-Pd-Tc +mp-1185413,LiPm2Co,-4.6138819425,0.0156993842,0.0156993842,0.0156993842,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Li-Pm,4.0,ABC2_cF16_225_a_b_c:Co-Li-Pm +mp-1102507,NdMn2,-7.3950915892,0.302301083,0.302301083,0.302301083,GGA,Cmcm,A2B_oC24_63_acg_f:Mn-Nd,12.0,A2B_oC24_63_acg_f:Mn-Nd +mp-569334,NdMn2,-7.2610563633,0.4363363089,0.4363363089,0.4363363089,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Nd,12.0,A2B_hP12_194_ah_f:Mn-Nd +mp-976751,Nd3Zr,-5.567709065,0.1453266669,0.1453266669,0.1453266669,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Zr,8.0,A3B_hP8_194_h_c:Nd-Zr +mp-1186337,NdZr,-6.44437552,0.2135485112,0.2135485112,0.2135485112,GGA,P-6m2,AB_hP2_187_a_d:Nd-Zr,2.0,AB_hP2_187_a_d:Nd-Zr +mp-1192883,Nd6Mn23,-8.0497722693,0.2031669139,0.2031669139,0.2031669139,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Nd,29.0,A23B6_cF116_225_ad2f_e:Mn-Nd +mp-1220133,NdZr3Mn8,-8.664550765,-0.0222697934,0.1182916331,0.1182916331,GGA,Cm,A8BC3_mC24_8_4a2b_a_3a:Mn-Nd-Zr,12.0,"Invalid WP multiplicities - A8BC3_mC24_8_4a4b_a_3a:Mn-Nd-Zr, expected Nd(ZrMn4)3 to be NdZr3Mn8" +mp-20642,NdMn12,-8.7723719585,0.0516534983,0.0516534983,0.0516534983,GGA,I4/mmm,A12B_tI26_139_fij_a:Mn-Nd,13.0,"Invalid WP multiplicities - A12B_tI26_139_fi2j_a:Mn-Nd, expected NdMn16 to be NdMn12" +mp-1095907,HfCrAu2,-4.36766912,2.171831005,2.5923638325,2.5923638325,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cr-Hf,4.0,A2BC_oI8_71_e_a_b:Au-Cr-Hf +mp-1097124,Ca2CdRh,-1.9055804275,1.16901892,1.5213404905,1.5213404905,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Rh,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Rh +mp-978796,SmDyIn2,-4.1781412175,-0.4709561088,0.0,-0.004282665,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-In-Sm +mp-978535,SmDy3,-4.6134195775,0.0213170862,0.0213170862,0.0213170862,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Sm,4.0,A3B_tI8_139_ad_b:Dy-Sm +mp-972534,SmDy3,-4.6145318637,0.0202048,0.0202048,0.0202048,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Sm,8.0,A3B_hP8_194_h_c:Dy-Sm +mp-978906,Sm3Dy,-4.6741192875,0.0165170237,0.0165170237,0.0165170237,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-Sm,4.0,AB3_tI8_139_a_bd:Dy-Sm +mp-979355,Sm3Dy,-4.6678820925,0.0227542187,0.0227542187,0.0227542187,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Sm,8.0,AB3_hP8_194_c_h:Dy-Sm +mp-972502,Sm3Dy,-4.6790275775,0.0116087337,0.0116087337,0.0116087337,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Sm,4.0,AB3_cP4_221_a_c:Dy-Sm +mp-1189852,Sc7CoCl12,-5.84200329,-2.1611012175,0.0,-0.0387569889,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Cl-Co-Sc,20.0,A12BC7_hR60_148_2f_a_bf:Cl-Co-Sc +mp-620271,GdBiPt,-9.0333363533,-1.0374214567,0.0,-0.171298544,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Gd-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Gd-Pt +mp-1184536,GdBi3,-6.823847695,-0.4244502875,0.0404648025,0.0404648025,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Gd,4.0,A3B_tI8_139_ad_b:Bi-Gd +mp-1184501,GdBi3,-6.8302645725,-0.430867165,0.034047925,0.034047925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Gd,8.0,A3B_hP8_194_h_c:Bi-Gd +mp-614481,GdBi,-9.888135865,-0.92983018,0.0,-0.6425854033,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Gd,2.0,AB_cF8_225_a_b:Bi-Gd +mp-1185181,LaEuPt2,-7.854616525,-1.0207976387,0.0336539486,0.0336539486,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-La-Pt,4.0,ABC2_cF16_225_a_b_c:Eu-La-Pt +mp-1185264,La3Eu,-6.21052668,0.0557290987,0.0557290987,0.0557290987,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-La,4.0,AB3_tI8_139_a_bd:Eu-La +mp-1185528,La3Eu,-6.1896524712,0.0766033075,0.0766033075,0.0766033075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-La,8.0,AB3_hP8_194_c_h:Eu-La +mp-1221441,MoPt,-8.6706108138,-0.2122190988,0.1064683813,0.0567332613,GGA,Amm2,AB_oC16_38_abd_abe:Mo-Pt,8.0,AB_oC16_38_abd_abe:Mo-Pt +mp-999502,MoPt,-8.777079195,-0.31868748,0.0,-0.04973512,GGA,Pmma,AB_oP4_51_e_f:Mo-Pt,4.0,AB_oP4_51_e_f:Mo-Pt +mp-1221433,MoPt,-8.61885076,-0.160459045,0.158228435,0.108493315,GGA,P-6m2,AB_hP2_187_a_d:Mo-Pt,2.0,AB_hP2_187_a_d:Mo-Pt +mp-1096581,Hf2MoPt,-6.0114694425,3.19632093,3.8348952338,3.8348952338,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mo-Pt,4.0,A2BC_oI8_71_e_a_b:Hf-Mo-Pt +mp-1184588,Hf2MoPt,-9.841799475,-0.6340091025,0.0045652013,0.0045652013,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Mo-Pt,4.0,A2BC_cF16_225_c_a_b:Hf-Mo-Pt +mp-952,MoPt2,-8.0212420633,-0.3586031467,0.0,-0.139324225,GGA,Immm,AB2_oI6_71_a_e:Mo-Pt,3.0,AB2_oI6_71_a_e:Mo-Pt +mp-1186016,Mo3Pt,-9.737438705,-0.0854177925,0.0739259475,0.0739259475,GGA,Pm-3m,A3B_cP4_221_c_a:Mo-Pt,4.0,A3B_cP4_221_c_a:Mo-Pt +mp-1232,Mo3Pt,-9.76451929,-0.1124983775,0.0468453625,0.0468453625,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Pt,8.0,A3B_cP8_223_c_a:Mo-Pt +mp-1221420,MoPt3,-7.43433716,-0.1695746425,0.0993777175,0.0993777175,GGA,Pmm2,AB3_oP4_25_a_bcd:Mo-Pt,4.0,AB3_oP4_25_a_bcd:Mo-Pt +mp-1221425,MoPt3,-7.3950824425,-0.130319925,0.138632435,0.138632435,GGA,R-3m,AB3_hR12_166_a_bc:Mo-Pt,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mo-Pt, expected MoPt5 to be MoPt3" +mp-13100,MoPt3,-7.384851635,-0.1200891175,0.1488632425,0.1488632425,GGA,Pm-3m,AB3_cP4_221_a_c:Mo-Pt,4.0,AB3_cP4_221_a_c:Mo-Pt +mp-1093644,Sc2CdRu,-3.75060894,1.9649486875,2.3815676725,2.3815676725,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ru-Sc,4.0,ABC2_oI8_71_a_b_e:Cd-Ru-Sc +mp-865175,LiEuTl2,-4.549620895,-0.326818155,0.0,-0.037320809,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Eu-Li-Tl +mp-1185411,LiEu3,-8.073424085,0.0965579817,0.0965579817,0.0965579817,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Li,4.0,A3B_tI8_139_ad_b:Eu-Li +mp-1185355,LiEu3,-8.0878978275,0.0820842392,0.0820842392,0.0820842392,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Li,8.0,A3B_hP8_194_h_c:Eu-Li +mp-1185335,LiEu2Tl,-6.426888685,-0.2304962817,0.0,-0.012318215,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-Li-Tl +mp-1185227,Li3Eu,-3.9061262825,0.0898163175,0.0898163175,0.0898163175,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Li,8.0,AB3_hP8_194_c_h:Eu-Li +mp-1185222,Li3Eu,-3.8862413325,0.1097012675,0.1097012675,0.1097012675,GGA,Fm-3m,AB3_cF16_225_a_bc:Eu-Li,4.0,AB3_cF16_225_a_bc:Eu-Li +mp-861460,AcInTe2,-4.4795239525,-1.1896563215,0.0,-0.2521168463,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-In-Te,4.0,ABC2_cF16_225_a_b_c:Ac-In-Te +mp-977553,Yb2PtAu,-4.14550872,-1.03945075,0.0,-0.0201013042,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pt-Yb,,ABC2_cF16_225_a_b_c:Au-Pt-Yb +mp-1215710,Yb4Pt3Au,-4.5067534038,-1.0510390188,0.0018956061,0.0018956061,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Au-Pt-Yb,,AB3C4_mP8_6_a_a2b_2a2b:Au-Pt-Yb +mp-862375,Sc2TcHg,-6.1025346025,-0.2702202225,0.0612690834,0.0612690834,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Hg-Sc-Tc +mp-1184101,Er2TlHg,-3.3432281675,-0.3927878846,0.0034473425,0.0034473425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Er-Hg-Tl +mp-862775,LiInRh2,-5.1511770175,-0.3038714333,0.0045314108,0.0045314108,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Rh,4.0,ABC2_cF16_225_a_b_c:In-Li-Rh +mp-31442,Li2InRh,-3.8587814425,-0.3753221092,0.0,-0.0803857906,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-Li-Rh,4.0,AB2C_cF16_216_a_bc_d:In-Li-Rh +mp-1207156,LiInRh,-4.3718290867,-0.3635242644,0.024632655,0.024632655,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:In-Li-Rh,6.0,ABC_hP6_194_c_d_a:In-Li-Rh +mp-13396,LiIn2Rh,-4.1036876475,-0.4095380983,0.0,-0.0666473344,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Rh,4.0,A2BC_cF16_225_c_a_b:In-Li-Rh +mp-11269,BaSn3Pd,-4.472409248,-0.6468947850000001,0.0,-0.0835879875,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ba-Pd-Sn,5.0,"Invalid WP multiplicities - ABC3_tI10_107_a_a_a2b:Ba-Pd-Sn, expected BaSn5Pd to be BaSn3Pd" +mp-1228724,AsRhSe,-5.8972344875000005,-0.7241219033,0.0,-0.1020002006,GGA,P2_13,ABC_cP12_198_a_a_a:As-Rh-Se,12.0,ABC_cP12_198_a_a_a:As-Rh-Se +mp-1223910,HoCoNi,-6.1523169233,-0.3286958083,0.0152544517,0.0152544517,GGA,Imma,ABC_oI12_74_a_e_c:Co-Ho-Ni,6.0,ABC_oI12_74_a_e_c:Co-Ho-Ni +mp-1204922,Ho2Co12Ni5,-6.5978060239000005,-0.104894725,0.0614995021,0.0614995021,GGA,P6_3/mmc,A12B2C5_hP38_194_jk_bc_fg:Co-Ho-Ni,38.0,A12B2C5_hP38_194_jk_bc_fg:Co-Ho-Ni +mp-1224084,Ho2(CoNi)5,-6.3190810317,-0.1851568554,0.0783006709,0.0783006709,GGA,Pmmm,A5B2C5_oP12_47_eij_bc_hx:Co-Ho-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oP12_47_e2ij_bc_hx:Co-Ho-Ni, expected Ho2Co7Ni5 to be Ho2(CoNi)5" +mp-1223880,HoCo3Ni2,-6.444780425,-0.2001744892,0.0430726562,0.0430726562,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Co-Ho-Ni,6.0,A3BC2_hP6_191_g_a_c:Co-Ho-Ni +mp-1223872,HoCo4Ni,-6.616931195,-0.15096174,0.0447654743,0.0447654743,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Ho-Ni,6.0,A4BC_hP6_187_ak_c_e:Co-Ho-Ni +mp-861733,LiTePd2,-4.375176505,-0.52217841,0.0768072755,0.0768072755,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Te,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Te +mp-18062,Na10YbSn12,-3.0007977296,-0.2668967089,0.0,-0.0071551953,GGA,I-43m,A10B12C_cI46_217_cd_g_a:Na-Sn-Yb,,"Invalid WP multiplicities - A10B12C_cI46_217_c2d_g_a:Na-Sn-Yb, expected Na16YbSn12 to be Na10YbSn12" +mp-1232181,Pm2Se3,-6.1771948825,-2.1794310669,0.0,-0.192747989,GGA,Pnma,A2B3_oP20_62_2c_3c:Pm-Se,20.0,A2B3_oP20_62_2c_3c:Pm-Se +mp-1232184,Pm2Se3,-6.1604819738,-2.1627181582,0.0167129087,-0.1760350803,GGA,I-42d,A2B3_tI80_122_cde_3e:Pm-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d6e_16e:Pm-Se, expected Pm19Se32 to be Pm2Se3" +mp-1232218,Pm2MgSe4,-5.3427568446,-1.759183901,0.22309306,0.22309306,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Pm-Se,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Pm-Se +mp-1232220,Pm2MgSe4,-5.5249090289,-1.9413360853,0.0409408757,0.0409408757,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Pm-Se,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Pm-Se +mp-1232211,Pm2MgSe4,-5.5202896214,-1.9367166778,0.0455602832,0.0455602832,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Pm-Se,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Pm-Se +mp-1232215,Pm2MgSe4,-5.4768168982,-1.8932439546,0.0890330064,0.0890330064,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Pm-Se,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Pm-Se +mp-1232291,Pm2MgSe4,-5.3581015493,-1.7745286056,0.2077483554,0.2077483554,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Pm-Se,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Pm-Se +mp-1232208,Pm2MgSe4,-5.48593156,-1.9023586163,0.0799183446,0.0799183446,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Pm-Se,14.0,AB2C4_tI28_122_a_d_e:Mg-Pm-Se +mp-1232231,Pm2MgSe4,-5.5169310750000005,-1.9333581313,0.0489188296,0.0489188296,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Pm-Se,14.0,AB2C4_cF56_227_a_d_e:Mg-Pm-Se +mp-1232152,PmMgSe3,-4.7886948835,-1.4209835224,0.336197094,0.336197094,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pm-Se,20.0,ABC3_mC20_12_g_i_ij:Mg-Pm-Se +mp-1237948,PmMgSe3,-4.7539764,-1.3862650389,0.3709155775,0.3709155775,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pm-Se,10.0,ABC3_mC20_12_g_i_ij:Mg-Pm-Se +mp-1232203,PmMgSe3,-4.8476462007,-1.4799348396,0.2772457768,0.2772457768,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-Pm-Se,30.0,ABC3_hR30_148_c_c_f:Mg-Pm-Se +mp-1232221,PmSe2,-5.8498283225000005,-1.9357065632,0.0,-0.1195140075,GGA,P2_1/c,AB2_mP12_14_e_2e:Pm-Se,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_5e:Pm-Se, expected PmSe5 to be PmSe2" +mp-1232216,PmSe2,-5.83318665,-1.9190648907,0.0166416725,-0.102872335,GGA,P4/nmm,AB2_tP6_129_c_ac:Pm-Se,6.0,AB2_tP6_129_c_ac:Pm-Se +mp-1186629,PmSe3,-5.07353659,-1.2639674011,0.1878125213,0.1878125213,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Se,4.0,AB3_tI8_139_a_bd:Pm-Se +mp-1232236,PmSe,-5.64861285,-1.5253859499,0.5377619,0.2908066058,GGA,P6_3mc,AB_hP4_186_b_b:Pm-Se,4.0,AB_hP4_186_b_b:Pm-Se +mp-1232234,PmSe,-6.18637475,-2.0631478499,0.0,-0.2469552942,GGA,Fm-3m,AB_cF8_225_a_b:Pm-Se,2.0,AB_cF8_225_a_b:Pm-Se +mp-1093548,Sc2TlZn,-2.071526385,2.0003048567,2.308019325,2.2605416011,GGA,Immm,A2BC_oI8_71_e_a_b:Sc-Tl-Zn,4.0,A2BC_oI8_71_e_a_b:Sc-Tl-Zn +mp-1186959,Sc2TlZn,-4.37954571,-0.3077144683,0.0,-0.0474777239,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sc-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Sc-Tl-Zn +mp-973910,PaAlCu2,-5.51264877,-0.1479853125,0.0135352912,0.0135352912,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Pa,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Pa +mp-1208183,Tm6Ta4Al43,-4.7374047251,-0.2969163525,0.0,-0.0132448543,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Tm +mp-981251,TmTa3,-9.6663544875,0.3459375908,0.3459375908,0.3459375908,GGA,Fm-3m,A3B_cF16_225_ac_b:Ta-Tm,4.0,A3B_cF16_225_ac_b:Ta-Tm +mp-541047,ZrAlPd2,-6.4663746175,-0.8031145975,0.0,-0.0201234613,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Pd-Zr +mp-1193840,Zr6Al16Pd7,-5.8404424769,-0.7551117966,0.0,-0.0441740191,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Zr +mp-1215302,ZrAlPd,-6.5175256292,-0.6931395392,0.0116750662,0.0116750662,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Pd-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Pd-Zr, expected Zr3(AlPd)2 to be ZrAlPd" +mp-1247838,Al2Se3,-2.906484262,0.6892929566,1.812623519,1.7003710577,GGA,P1,A2B3_aP10_1_4a_6a:Al-Se,10.0,A2B3_aP10_1_4a_6a:Al-Se +mp-11674,Al2Se3,-4.719107781,-1.1233305624,0.0,-0.1122524613,GGA,Cc,A2B3_mC20_9_2a_3a:Al-Se,10.0,A2B3_mC20_9_2a_3a:Al-Se +mp-685120,Al2Se3,-4.6911391302,-1.0953619117,0.0279686508,-0.0842838105,GGA,I4_1/amd,A2B3_tI80_141_ceh_3h:Al-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_141_3c2e5h_16h:Al-Se, expected Al15Se32 to be Al2Se3" +mp-1247927,Al2Se3,-4.638886535,-1.0431093164,0.080221246,-0.0320312153,GGA,R3,A2B3_hR30_146_ab_3ab:Al-Se,10.0,"Invalid WP multiplicities - A2B3_hR30_146_a2b_3a3b:Al-Se, expected Al7Se12 to be Al2Se3" +mp-1226050,Dy9Al5Se21,-5.5802895733,-1.763058095,0.0157515825,0.0157515825,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Dy-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Dy-Se, expected Dy24Al5Se51 to be Dy9Al5Se21" +mp-1228165,Al5Se8,-4.6289394092,-1.0370031807,0.0431223601,0.0431223601,GGA,F-43m,A5B8_cF52_216_ae_2e:Al-Se,13.0,A5B8_cF52_216_ae_2e:Al-Se +mp-4743,ErTiGe,-6.3918905017,-0.6964776078,0.0,-0.0211030179,GGA,P4/nmm,ABC_tP6_129_c_c_a:Er-Ge-Ti,6.0,ABC_tP6_129_c_c_a:Er-Ge-Ti +mp-1096223,TiBeCu2,-2.5476241550000003,2.4107054004,2.5730491707,2.5730491707,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Cu-Ti,4.0,AB2C_oI8_71_a_e_b:Be-Cu-Ti +mp-1208242,Ti6Be15Cu8,-4.92630062,-0.2277558464,0.0,-0.0653351511,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Cu-Ti,29.0,A15B8C6_cF116_225_adf_f_e:Be-Cu-Ti +mp-1219185,Sm2Si3Ge,-5.6243070867,-0.5682813842000001,0.0118483967,0.0118483967,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Ge-Si-Sm,6.0,AB3C2_oI12_44_a_a2b_ab:Ge-Si-Sm +mp-1105764,Pr5Si3,-5.5679346025,-0.5453742444,0.0,-0.0002668691,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Pr-Si,16.0,A5B3_tI32_140_cl_ah:Pr-Si +mp-1186731,Pr3Si,-5.1547788587,-0.212770035,0.1508127946,0.1508127946,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Si,8.0,A3B_hP8_194_h_c:Pr-Si +mp-1024960,PrScSi,-6.0982022217,-0.5853045917,0.0117078495,0.0117078495,GGA,I4/mmm,ABC_tI12_139_e_c_e:Pr-Sc-Si,6.0,ABC_tI12_139_e_c_e:Pr-Sc-Si +mp-1206584,PrScSi,-5.7542310217,-0.2413333917,0.3556790495,0.3556790495,GGA,I4/mmm,ABC_tI12_139_e_e_c:Pr-Sc-Si,6.0,ABC_tI12_139_e_e_c:Pr-Sc-Si +mp-1219840,Pr2Si3,-5.73114425,-0.56359113,0.0520629125,0.0520629125,GGA,Imm2,A2B3_oI10_44_ab_2ab:Pr-Si,5.0,A2B3_oI10_44_ab_2ab:Pr-Si +mp-1079937,Pr3Si2,-5.620118532,-0.5814478670000001,0.0,-0.0037556497,GGA,P4/mbm,A3B2_tP10_127_ah_g:Pr-Si,10.0,A3B2_tP10_127_ah_g:Pr-Si +mp-9968,PrSi,-5.8090078488,-0.7058959563,0.0,-0.090662971,GGA,Pnma,AB_oP8_62_c_c:Pr-Si,8.0,AB_oP8_62_c_c:Pr-Si +mp-568831,Pr2Sc3Si4,-6.3471782181,-0.7626792242,0.0,-0.0303823172,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Pr-Sc-Si,36.0,"Invalid WP multiplicities - A2B3C4_oP36_62_d_3c3d_5c3d:Pr-Sc-Si, expected Pr2Sc9Si11 to be Pr2Sc3Si4" +mp-542465,Pr5Si4,-5.7024576019,-0.6351463914000001,0.0016117375,0.0016117375,GGA,P4_12_12,A5B4_tP36_92_a2b_2b:Pr-Si,36.0,A5B4_tP36_92_a2b_2b:Pr-Si +mp-27760,PrSi2,-5.766006705,-0.5554927667,0.0,-0.0848954625,GGA,I4_1/amd,AB2_tI12_141_a_e:Pr-Si,6.0,AB2_tI12_141_a_e:Pr-Si +mp-1205499,Pr2ScSi2,-6.009577863,-0.6605945280000001,0.0,-0.0090761511,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Pr-Sc-Si,10.0,A2BC2_tP10_127_h_a_g:Pr-Sc-Si +mp-865828,YbPaRu2,-7.7462829675,-0.3455134625,0.0,-0.2598365087,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Yb,,AB2C_cF16_225_a_c_b:Pa-Ru-Yb +mp-1097363,HfInRu2,-5.0398758325,2.7745436275,3.2359129775,3.2359129775,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-In-Ru,4.0,ABC2_oI8_71_a_b_e:Hf-In-Ru +mp-1185270,LiNpRh2,-7.757391075,-0.361061503,0.0,-0.1344935832,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Np-Rh,4.0,ABC2_cF16_225_a_b_c:Li-Np-Rh +mp-1096376,HfScPd2,-4.5360584875,2.1262969512,2.9245365788,2.9245365788,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Hf-Pd-Sc +mp-865958,AcTlAg2,-3.2648562725,-0.2276237323,0.0,-0.0632408352,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Ag-Tl +mp-981392,HoHfOs2,-9.62826944,-0.37968625,0.1281965019,0.1281965019,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Ho-Os,4.0,ABC2_cF16_225_a_b_c:Hf-Ho-Os +mp-542428,Ba11Sb10,-4.0716434164,-1.1002750002,0.0016746419,0.0016746419,GGA,Immm,A11B10_oI84_71_el2m2n_efgilo:Ba-Sb,42.0,A11B10_oI84_71_el2m2n_efgilo:Ba-Sb +mp-17399,Ba5Sb4,-4.0369488142,-1.1357399631,0.0020028203,-0.0452897603,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ba-Sb,36.0,A5B4_oP36_62_c2d_2cd:Ba-Sb +mp-10089,Ba5Sb4,-4.0389516344,-1.1377427833,0.0,-0.0472925806,GGA,Cmce,A5B4_oC36_64_ag_df:Ba-Sb,18.0,A5B4_oC36_64_ag_df:Ba-Sb +mp-9909,Ba5Sb3,-3.8166932606,-1.0689584581,0.0,-0.0645865977,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ba-Sb,16.0,A5B3_hP16_193_dg_g:Ba-Sb +mp-6950,BaSb3,-4.2679011575,-0.6914064925000001,0.0,-0.0544461892,GGA,C2/m,AB3_mC16_12_i_ij:Ba-Sb,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_i2j:Ba-Sb, expected BaSb5 to be BaSb3" +mp-1183295,Ba3Sb,-3.0140395025,-0.5425579875000001,0.1700809846,0.1700809846,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Sb,4.0,A3B_cP4_221_c_a:Ba-Sb +mp-1106056,Ba(Sb3Os)4,-5.8340667212,-0.1648632188,0.0092153853,0.0092153853,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ba-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:Ba-Os-Sb +mp-2196,BaSb2,-4.2416062111,-0.8492804044000001,0.0,-0.0073461904,GGA,P2_1/m,AB2_mP18_11_3e_6e:Ba-Sb,18.0,AB2_mP18_11_3e_6e:Ba-Sb +mp-624668,BaSb2,-4.2411621233,-0.8488363167,0.0004440878,-0.0069021026,GGA,P2_1/m,AB2_mP6_11_e_2e:Ba-Sb,6.0,AB2_mP6_11_e_2e:Ba-Sb +mp-1182123,BaSb2,-4.1725320333,-0.7802062267000001,0.0690741778,0.0617279874,GGA,C2/m,AB2_mC6_12_a_i:Ba-Sb,3.0,AB2_mC6_12_a_i:Ba-Sb +mp-1062805,BaSb2,-3.9754858733,-0.5831600667,0.2661203378,0.2587741474,GGA,Cmmm,AB2_oC6_65_a_h:Ba-Sb,3.0,AB2_oC6_65_a_h:Ba-Sb +mp-1013582,Ba3Sb2,-3.480384694,-0.677399234,0.4163215812,0.4163215812,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ba-Sb,5.0,A3B2_cP5_221_c_ab:Ba-Sb +mp-16922,Ba2Sb3,-4.2073471112,-0.9623563913,0.0,-0.0252278783,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Ba-Sb,40.0,A2B3_mP40_14_4e_6e:Ba-Sb +mp-9908,Ba2Sb,-3.57999968,-0.9243493067,0.0258359894,0.0258359894,GGA,I4/mmm,A2B_tI12_139_ce_e:Ba-Sb,6.0,A2B_tI12_139_ce_e:Ba-Sb +mp-11760,ErCd2Cu,-2.7760641113,-0.1478878613,0.1206303478,0.1206303478,GGA,Cmcm,A2BC_oC16_63_g_c_c:Cd-Cu-Er,8.0,A2BC_oC16_63_g_c_c:Cd-Cu-Er +mp-1206454,Er2CdCu2,-3.952701003,-0.301352859,0.0,-0.004546904,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Er,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Er +mp-12008,ErCdCu4,-3.8983398883,-0.2504340133,0.0,-0.0585406092,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Cu-Er,6.0,AB4C_cF24_216_a_e_c:Cd-Cu-Er +mp-864639,Ta2NbOs,-11.5733632525,-0.31230632,0.0,-0.0559169496,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Os-Ta,4.0,ABC2_cF16_225_a_b_c:Nb-Os-Ta +mp-1095889,TaNbOs2,-6.68553823,4.4179161525,4.6562745648,4.6562745648,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Os-Ta,4.0,AB2C_oI8_71_a_e_b:Nb-Os-Ta +mp-867274,Be2CoIr,-6.321522985,-0.4651285588,0.0,-0.1575009729,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Co-Ir,4.0,A2BC_cF16_225_c_a_b:Be-Co-Ir +mp-1183055,AcHgTe2,-3.7189664625,-1.0410996727,0.0,-0.1006137462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Hg-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Hg-Te +mp-30516,Th3Sn13Rh4,-5.7149741645,-0.5238121472,0.0,-0.0187082955,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Th,40.0,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Th +mp-1095053,ThSnRh,-7.1891123911,-0.9265330661,0.0,-0.1909329862,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Th,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-Th +mp-1102214,BaCaPb,-3.1368148567,-0.5910742267,0.0,-0.0449639583,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Ca-Pb,12.0,ABC_oP12_62_c_c_c:Ba-Ca-Pb +mp-1227959,BaCa3,-1.9453971425,0.0385465025,0.0385465025,0.0385465025,GGA,R-3m,AB3_hR12_166_a_bc:Ba-Ca,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Ba-Ca, expected BaCa5 to be BaCa3" +mp-1183346,BaCa3,-1.9467653862,0.0371782588,0.0371782588,0.0371782588,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Ca,8.0,AB3_hP8_194_c_h:Ba-Ca +mp-1183342,Ba3Ca,-1.9014171275,0.0392140475,0.0392140475,0.0392140475,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Ca,4.0,A3B_tI8_139_ad_b:Ba-Ca +mp-1183374,Ba3Ca,-1.9107808362,0.0298503387,0.0298503387,0.0298503387,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Ca,8.0,A3B_hP8_194_h_c:Ba-Ca +mp-1183314,Ba3Ca,-1.90027682,0.040354355,0.040354355,0.040354355,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Ca,4.0,A3B_cP4_221_c_a:Ba-Ca +mp-864799,HoLuMg2,-3.134037205,-0.0580573325,0.0017879525,0.0017879525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Mg,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Mg +mp-569095,Rb3Bi,-2.0270548275,-0.3315319906,0.0,-0.1287285153,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Bi-Rb,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_2b3f:Bi-Rb, expected Rb8Bi to be Rb3Bi" +mp-23304,Rb3Bi,-1.9992698,-0.3037469631,0.0277850275,-0.1009434878,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Rb,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Bi-Rb, expected Rb5Bi to be Rb3Bi" +mp-1206291,RbBi3,-2.9267225212,0.1987778444,0.4659211388,0.4659211388,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Bi-Rb,8.0,A3B_hP8_194_bf_c:Bi-Rb +mp-23253,RbBi2,-3.2433618367,-0.3561910592,0.0,-0.1120491315,GGA,Fd-3m,A2B_cF24_227_c_b:Bi-Rb,6.0,A2B_cF24_227_c_b:Bi-Rb +mp-1219596,Rb5Bi4,-2.6093392622,-0.3577140531,0.0007919716,0.0007919716,GGA,Cm,A4B5_mC18_8_4a_5a:Bi-Rb,9.0,A4B5_mC18_8_4a_5a:Bi-Rb +mp-1209438,Rb4Bi,-1.530739716,0.021785368,0.2870109605,0.2870109605,GGA,Fd-3m,AB4_cF40_227_a_e:Bi-Rb,10.0,AB4_cF40_227_a_e:Bi-Rb +mp-1207251,Rb3Bi2,-2.449001656,-0.3244855605,0.0278549707,0.0278549707,GGA,C2/c,A2B3_mC20_15_f_ef:Bi-Rb,10.0,A2B3_mC20_15_f_ef:Bi-Rb +mp-974970,Rb3Mn,-2.33678749,0.6891168874,0.6891168874,0.6891168874,GGA,I4/mmm,AB3_tI8_139_a_bd:Mn-Rb,4.0,AB3_tI8_139_a_bd:Mn-Rb +mp-1186859,Rb3Mn,-2.3427933875,0.6831109899000001,0.6831109899000001,0.6831109899000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Mn-Rb,4.0,AB3_cF16_225_a_bc:Mn-Rb +mp-1209753,Rb2MnBi2,-3.25562491,0.5051874294,0.7981577427000001,0.7981577427000001,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Bi-Mn-Rb,5.0,A2BC2_tP5_123_g_a_g:Bi-Mn-Rb +mp-1018949,RbMnBi,-4.6546436483,0.0063691832,0.2505111109,0.2505111109,GGA,P4/nmm,ABC_tP6_129_c_a_c:Bi-Mn-Rb,6.0,ABC_tP6_129_c_a_c:Bi-Mn-Rb +mp-31105,RbBi,-2.7767244928,-0.3662128916,0.0,-0.008879587,GGA,P2_1/c,AB_mP32_14_4e_4e:Bi-Rb,32.0,AB_mP32_14_4e_4e:Bi-Rb +mp-1066029,RbBi,-2.4910788,-0.0805671987,0.2856456928,0.2767661058,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Rb,2.0,AB_tP2_123_a_d:Bi-Rb +mp-1205869,Lu2CdPd2,-4.898552486,-0.833641602,0.0,-0.0460525393,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Lu-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Lu-Pd +mp-1210768,Lu4CdPd,-4.50404975,-0.4729541417,0.0,-0.046746825,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Lu-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Lu-Pd +mp-866207,LuCdPd2,-4.726802845,-0.77590187,0.0,-0.0339002275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Lu-Pd +mp-1215205,ZrTaCo4,-8.3753339533,-0.23554238,0.0413544002,0.0413544002,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ta-Zr,6.0,A4BC_cF24_216_e_a_c:Co-Ta-Zr +mp-702,CeHg,-3.40367706,-0.2852923,0.0,-0.0076033438,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Hg,2.0,AB_cP2_221_a_b:Ce-Hg +mp-862668,CeHg3,-2.0259532137,-0.3149206512,0.0,-0.037231695,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Hg,8.0,AB3_hP8_194_c_h:Ce-Hg +mp-1183746,Ce3Hg,-4.6263230025,-0.100586045,0.042060105,0.042060105,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Hg,4.0,A3B_tI8_139_ad_b:Ce-Hg +mp-1185334,LiCeHg2,-2.4690551225,-0.3567119346,0.0,-0.027163725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Li +mp-30506,CeHg2,-2.5504019033,-0.3702519417,0.0,-0.0652074075,GGA,P6/mmm,AB2_hP3_191_a_d:Ce-Hg,3.0,AB2_hP3_191_a_d:Ce-Hg +mp-1225657,ErScGe,-5.6758537744,-0.5014485178,0.2337051972,0.2337051972,GGA,Amm2,ABC_oC36_38_abde_abcd_ef:Er-Ge-Sc,18.0,ABC_oC36_38_abde_abcd_ef:Er-Ge-Sc +mp-1185292,LiAc2Sn,-3.88980603,-0.3495948458,0.008771795,0.008771795,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Li-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Li-Sn +mp-865913,Li2AcSn,-3.39265818,-0.405510031,0.0,-0.0381478697,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Ac-Li-Sn +mp-976151,PrErMg2,-3.228308085,-0.0910119188,0.0002445825,0.0002445825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Pr +mp-865191,FeGeRu2,-8.0717289,-0.1612653637,0.0,-0.0142839715,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ge-Ru,4.0,ABC2_cF16_225_a_b_c:Fe-Ge-Ru +mp-1184277,Eu2ZnIr,-7.9656775125,-0.312632165,0.04838418,0.04838418,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Ir-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Ir-Zn +mp-1018669,CeTlZn,-3.4216505283,-0.2364918911,0.0340381458,0.0340381458,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Ce-Tl-Zn +mp-1184082,Er2ZnHg,-3.07752609,-0.4028106913,0.01681186,0.01681186,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Hg-Zn +mp-862261,Sc2ZnRu,-6.29382386,-0.49405277,0.0,-0.031732265,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Ru-Sc-Zn +mp-865298,TmZnPd2,-4.8051674975,-0.7813318342000001,0.0111716054,0.0111716054,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Tm-Zn,4.0,A2BC_cF16_225_c_a_b:Pd-Tm-Zn +mp-1187599,Tm2ZnPd,-4.494195505,-0.6463714383,0.0071750025,0.0071750025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Pd-Tm-Zn +mp-1103059,TmZnPd,-4.4135144842,-0.7750275364,0.0,-0.068491292,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Tm-Zn,12.0,ABC_oP12_62_c_c_c:Pd-Tm-Zn +mp-1079471,TmZnPd,-4.4083935911,-0.7699066433,0.0051208931,-0.063370399,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Tm-Zn,9.0,ABC_hP9_189_ad_f_g:Pd-Tm-Zn +mp-1224506,Hf(AlNi4)3,-6.11621062,-0.4564883275,0.003606327,0.003606327,GGA,P4/mmm,A3BC12_tP16_123_ag_b_cdh2i:Al-Hf-Ni,16.0,"Invalid WP multiplicities - A3BC12_tP16_123_a2g_b_cd2h5i:Al-Hf-Ni, expected HfAl5Ni26 to be Hf(AlNi4)3" +mp-5748,HfAlNi2,-6.9522332225,-0.6364736675,0.0,-0.0237723073,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Ni +mp-1025457,HfAl5Ni2,-5.57211959,-0.5414518975,0.0075098181,0.0075098181,GGA,I4/mmm,A5BC2_tI16_139_ag_b_e:Al-Hf-Ni,8.0,A5BC2_tI16_139_ag_b_e:Al-Hf-Ni +mp-1206477,Hf6Al2Ni,-8.4516385211,-0.3389249078,0.0,-0.0193402578,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Al-Hf-Ni,9.0,A2B6C_hP9_189_c_fg_b:Al-Hf-Ni +mp-1223828,Hf2Al3Ni,-6.6895502783000005,-0.53434324,0.0101172425,0.0101172425,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Hf-Ni,6.0,A3B2C_hR18_166_d_c_a:Al-Hf-Ni +mp-1078767,HfAlNi,-7.1413617533,-0.64706124,0.0,-0.080622697,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Hf-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Hf-Ni +mp-1008680,TiGePt,-7.06386927,-0.8673182061,0.0,-0.170185061,GGA,F-43m,ABC_cF12_216_a_c_b:Ge-Pt-Ti,3.0,ABC_cF12_216_a_c_b:Ge-Pt-Ti +mp-961671,TiGePt,-6.60131607,-0.4047650061,0.4625532,0.292368139,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Pt-Ti,3.0,ABC_cF12_216_a_b_c:Ge-Pt-Ti +mp-1097121,CrSiOs2,-5.7089619875,3.6743131025,3.9073618251,3.9073618251,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Os-Si,4.0,AB2C_oI8_71_a_e_b:Cr-Os-Si +mp-1224237,Ho2SiPd2,-5.7873686565,-0.7973887785,0.1364578994,0.1364578994,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:Ho-Pd-Si,20.0,A2B2C_oP20_58_2g_2g_g:Ho-Pd-Si +mp-4148,Ho(SiPd)2,-6.068851826,-0.910290116,0.0,-0.0889613651,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Pd-Si +mp-1212354,Ho3(Si3Pd10)2,-6.0023606834,-0.8335065114,0.0,-0.0645379235,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Ho-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:Ho-Pd-Si +mp-1105686,HoSiPd2,-6.0799114331,-0.9880388031,0.0,-0.0708558139,GGA,Pnma,AB2C_oP16_62_c_d_c:Ho-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Ho-Pd-Si +mp-1223935,Ho2Si3Pd,-5.940414065,-0.8369717917,0.0452797825,-0.0523371442,GGA,Pmm2,A2BC3_oP6_25_bd_a_a2c:Ho-Pd-Si,6.0,A2BC3_oP6_25_bd_a_a2c:Ho-Pd-Si +mp-1212362,Ho2Si3Pd,-5.9856938475,-0.8822515742,0.0,-0.0976169267,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Ho-Pd-Si,24.0,A2BC3_hP24_194_bh_f_k:Ho-Pd-Si +mp-1006367,Ce2HfSe5,-6.8543283822,-1.9414627912,0.0,-0.0050315561,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Ce-Hf-Se,32.0,A2BC5_oP32_62_d_c_3cd:Ce-Hf-Se +mp-1183827,Ce3Hf,-6.83725186,0.1018622638,0.1018622638,0.1018622638,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Hf,4.0,A3B_tI8_139_ad_b:Ce-Hf +mp-1183775,Ce3Hf,-6.812012955,0.1271011688,0.1271011688,0.1271011688,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Hf,4.0,A3B_cP4_221_c_a:Ce-Hf +mp-1184081,Er2RuAu,-6.0504521625,-0.6295216225,0.0078915159,0.0078915159,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Er-Ru,4.0,AB2C_cF16_225_a_c_b:Au-Er-Ru +mp-862377,LiBe2Ir,-4.9425752,-0.3860295058,0.0,-0.0340780706,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Li +mp-1186482,Pm2NiPt,-6.0007890575,-0.6627003962,0.0,-0.5982023002,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Ni-Pm-Pt +mp-1186615,PmNdRu2,-7.1115901375,-0.0947164287,0.0228301069,0.0228301069,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pm-Ru,4.0,ABC2_cF16_225_a_b_c:Nd-Pm-Ru +mp-1185224,LiCe2Os,-6.312713205,-0.0620960533,0.0526163133,0.0526163133,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Li-Os,4.0,A2BC_cF16_225_c_a_b:Ce-Li-Os +mp-1096123,HfScAu2,-3.6251221175,2.0842334163,2.7595191037,2.7595191037,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Sc +mp-1209714,Pr6OsBr10,-5.2189803559,-1.9576223994,0.0,-0.038047907,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Os-Pr,17.0,A10BC6_aP17_2_5i_a_3i:Br-Os-Pr +mp-1209814,Pr3OsBr3,-5.7734871004,-1.4550342882,0.0,-0.0100764361,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-Os-Pr,28.0,A3BC3_cI56_214_h_a_g:Br-Os-Pr +mp-28301,OsBr4,-4.0912665055,-0.6033703555000001,0.0,-0.6033703555000001,GGA,Pbca,A4B_oP40_61_4c_c:Br-Os,40.0,"Invalid WP multiplicities - A4B_oP40_61_23c_c:Br-Os, expected OsBr23 to be OsBr4" +mp-3447,Th(CrGe)2,-7.479977894,-0.286776114,0.1050245237,0.1050245237,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Ge-Th,5.0,A2B2C_tI10_139_d_e_a:Cr-Ge-Th +mp-1095822,Zr2PtRh,-5.173872765,2.4588378475,3.3988198088,3.3988198088,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Pt-Rh-Zr +mp-861662,CaZrRh2,-6.8900638175,-0.569584755,0.04841058,0.04841058,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Zr +mp-961692,TaInNi,-6.0326456267,0.7638870533000001,0.959352788,0.959352788,GGA,F-43m,ABC_cF12_216_a_b_c:In-Ni-Ta,3.0,ABC_cF12_216_a_b_c:In-Ni-Ta +mp-532294,Er2CdSe4,-5.1848582712,-1.7502906582,0.0354513735,0.0354513735,GGA,P3m1,AB2C4_hP84_156_3a4b5c_3a2bc6d_4a4b4c12d:Cd-Er-Se,84.0,"Invalid WP multiplicities - AB2C4_hP84_156_3a4b5c_3a2bc12d_4a4b4c33d:Cd-Er-Se, expected Er14Cd4Se37 to be Er2CdSe4" +mp-1095919,MnTc2Ge,-5.3972518425,3.2293284168,3.396798835,3.2907085625,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Mn-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Mn-Tc +mp-1186026,MnTc2Ge,-8.7940506775,-0.1674704182,0.0,-0.1060902725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Tc,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Tc +mp-645418,FeCl3,-4.5186044887,-1.0146966912,0.1499888321,0.0309780187,GGA,P1,A3B_aP8_1_6a_2a:Cl-Fe,8.0,A3B_aP8_1_6a_2a:Cl-Fe +mp-676241,FeCl3,-4.6442371437,-1.1403293462,0.0243561771,-0.0946546363,GGA,P1,A3B_aP8_1_6a_2a:Cl-Fe,8.0,A3B_aP8_1_6a_2a:Cl-Fe +mp-23204,FeCl3,-4.5951811225,-1.091273325,0.0734121983,-0.045598615,GGA,R-3,A3B_hR24_148_f_c:Cl-Fe,8.0,A3B_hR24_148_f_c:Cl-Fe +mp-1182789,FeCl3,-4.6678385694,-1.1639307719,0.0007547515,-0.1182560619,GGA,P-3,A3B_hP96_147_12g_4c8d:Cl-Fe,96.0,"Invalid WP multiplicities - A3B_hP96_147_70g_8c16d:Cl-Fe, expected Fe4Cl35 to be FeCl3" +mp-583463,FeCl3,-4.6685933208,-1.1646855233,0.0,-0.1190108133,GGA,P312,A3B_hP24_149_3l_acgi:Cl-Fe,24.0,"Invalid WP multiplicities - A3B_hP24_149_12l_ac2g2i:Cl-Fe, expected Fe5Cl36 to be FeCl3" +mp-985588,FeCl,-5.086729525,0.07254941,0.916894035,0.916894035,GGA,Pm-3m,AB_cP2_221_a_b:Cl-Fe,2.0,AB_cP2_221_a_b:Cl-Fe +mp-1225059,FeCl4,-4.170437406,-0.997603836,0.0,-0.0658554173,GGA,Cmmm,A4B_oC10_65_gj_a:Cl-Fe,5.0,"Invalid WP multiplicities - A4B_oC10_65_2gj_a:Cl-Fe, expected FeCl6 to be FeCl4" +mp-1203959,Sc4FeCl5,-6.1533139635,-1.8490558705,0.0,-0.0545972473,GGA,P4_2/nnm,A5BC4_tP80_134_k2mn_m_2mn:Cl-Fe-Sc,80.0,A5BC4_tP80_134_k2mn_m_2mn:Cl-Fe-Sc +mp-1207367,FeCl6,-3.1709950371,-0.3765320129,0.3360421557,0.3360421557,GGA,Cmmm,A6B_oC14_65_kp_a:Cl-Fe,7.0,A6B_oC14_65_kp_a:Cl-Fe +mp-571096,FeCl2,-5.17842237,-1.1227241933,0.00306864,-0.0874481726,GGA,P-3m1,A2B_hP3_164_d_a:Cl-Fe,3.0,A2B_hP3_164_d_a:Cl-Fe +mp-23229,FeCl2,-5.18149101,-1.1257928333,0.0,-0.0905168126,GGA,R-3m,A2B_hR9_166_c_a:Cl-Fe,3.0,A2B_hR9_166_c_a:Cl-Fe +mp-1215362,ZrInAu2,-4.8348807725,-0.3730936825,0.0876659208,0.0876659208,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Au-In-Zr,4.0,A2BC_tP4_123_h_a_b:Au-In-Zr +mp-581707,ZrInAu2,-4.91083408,-0.44904699,0.0117126133,0.0117126133,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Zr,4.0,A2BC_cF16_225_c_a_b:Au-In-Zr +mp-961693,ZrInAu,-5.3220446233,-0.46428917,0.0,-0.0277495919,GGA,F-43m,ABC_cF12_216_c_a_b:Au-In-Zr,3.0,ABC_cF12_216_c_a_b:Au-In-Zr +mp-1079489,Zr2InAu2,-5.746558889,-0.467589091,0.04437299,0.009392449,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Zr,10.0,A2BC2_tP10_127_g_a_h:Au-In-Zr +mp-1207424,Zr2InAu2,-5.790931879,-0.5119620810000001,0.0,-0.034980541,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-In-Zr,20.0,A2BC2_tP20_136_j_d_fg:Au-In-Zr +mp-1185394,LiGd2Ga,-8.5999329475,-0.3276171052,0.0,-0.0094153096,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Gd-Li,4.0,AB2C_cF16_225_a_c_b:Ga-Gd-Li +mp-8487,CaSbPt,-5.0456671533,-0.9770890067,0.0,-0.104257922,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pt-Sb,12.0,ABC_oP12_62_c_c_c:Ca-Pt-Sb +mp-1104522,Tb(Mo3Se4)2,-7.465592812,-0.9538889066,0.0472925781,0.0472925781,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Tb,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Tb +mp-2647002,NaZnBi,-2.3476330817,-0.2067137372,0.0076474597,0.0076474597,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-Na-Zn,6.0,ABC_tP6_129_c_c_a:Bi-Na-Zn +mp-1217263,TePdSe,-4.5460451567,-0.6063454297,0.0,-0.0003130429,GGA,P3m1,ABC_hP3_156_a_b_c:Pd-Se-Te,3.0,ABC_hP3_156_a_b_c:Pd-Se-Te +mp-1217383,Te8Pd5Se2,-4.442818932,-0.5736403219,0.0382420487,0.0382420487,GGA,Cm,A5B2C8_mC30_8_5a_2a_8a:Pd-Se-Te,15.0,A5B2C8_mC30_8_5a_2a_8a:Pd-Se-Te +mp-974973,HfZrZn2,-5.4973653375,-0.2412711175,0.0106238919,0.0106238919,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Zn-Zr,4.0,AB2C_cF16_225_a_c_b:Hf-Zn-Zr +mp-1185129,LaPmZn2,-3.3673399825,-0.3158308206,0.0,-0.0345594094,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:La-Pm-Zn +mp-1225037,Er2Al3Ga,-4.4236091250000005,-0.5235656029,0.0090876958,0.0090876958,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Er-Ga,6.0,A3B2C_hR18_166_d_c_a:Al-Er-Ga +mp-1225490,ErAlGa,-4.33098447,-0.5505209158000001,0.007857205,0.007857205,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Er-Ga,3.0,ABC_hP3_187_a_d_e:Al-Er-Ga +mp-1223788,HoAlGa,-4.3447778233,-0.5594175825000001,0.0100647217,0.0100647217,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Ho,3.0,ABC_hP3_187_a_c_f:Al-Ga-Ho +mp-1095720,Ti2BeMo,-4.0912663375,3.5027454146,3.6472559165,3.6472559165,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Be-Mo-Ti +mp-867131,SmMgCd2,-2.365674305,-0.3245128788,0.0,-0.0679046228,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Sm,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Sm +mp-1187002,Sm2MgCd,-3.19427154,-0.20418602,0.00534897,0.00534897,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Sm,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Sm +mp-1096636,CrSiTc2,-5.4253706125,3.524540235,3.7949710242,3.7949710242,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Cr-Si-Tc +mp-1093862,CrSi2Tc,-5.0508164375,2.6652641813,3.1499232269,3.1499232269,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Cr-Si-Tc +mp-8375,Th(SiTc)2,-8.473670022,-0.6765155820000001,0.0,-0.2042692192,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Si-Tc-Th,5.0,A2B2C_tI10_139_e_d_a:Si-Tc-Th +mp-10470,NbSiRh,-8.4711579675,-0.8408476542000001,0.0,-0.1474885928,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-Rh-Si,12.0,ABC_oP12_62_c_c_c:Nb-Rh-Si +mp-1100400,NbSiRh,-7.84207151,-0.2117611967,0.6290864575,0.4815978647,GGA,F-43m,ABC_cF12_216_a_b_c:Nb-Rh-Si,3.0,ABC_cF12_216_a_b_c:Nb-Rh-Si +mp-1194467,Hf10SiMo3,-9.9973558646,-0.1734873889,0.0360349993,0.0360349993,GGA,P6_3/mmc,A10B3C_hP28_194_ahk_h_c:Hf-Mo-Si,28.0,A10B3C_hP28_194_ahk_h_c:Hf-Mo-Si +mp-1224428,Hf3SiMo8,-10.1661505,0.00569,0.268484814,0.268484814,GGA,P3m1,A3B8C_hP12_156_a2b_2c2d_a:Hf-Mo-Si,12.0,A3B8C_hP12_156_a2b_2c2d_a:Hf-Mo-Si +mp-1212445,Hf2Si4Mo3,-8.8780055975,-0.6388277631,0.0,-0.0010211103,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Hf-Mo-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Hf-Mo-Si +mp-22258,HfSiMo,-9.4502808925,-0.7075618358,0.0,-0.1399746197,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Mo-Si,12.0,ABC_oP12_62_c_c_c:Hf-Mo-Si +mp-1224372,Hf2SiMo3,-10.00788406,-0.3617763233,0.0779089496,0.0779089496,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Hf-Mo-Si,12.0,A2B3C_hP12_194_f_h_a:Hf-Mo-Si +mp-1194003,Hf9SiMo4,-10.1111348864,-0.223804905,0.0041255593,0.0041255593,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Si,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Si +mp-4628,ZrSiSe,-7.0328647967,-1.2098880841,0.0,-0.0878768875,GGA,P4/nmm,ABC_tP6_129_c_a_c:Se-Si-Zr,6.0,ABC_tP6_129_c_a_c:Se-Si-Zr +mp-1207471,Zr2SiSe2,-5.793186542,0.1093219071,1.4719584835,1.4719584835,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Se-Si-Zr,5.0,A2BC2_tP5_123_g_a_g:Se-Si-Zr +mp-675769,Ce(Mo3Se4)2,-7.569100932,-0.9708154896,0.021583571,0.021583571,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ce-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_2c3f:Ce-Mo-Se, expected Ce(Mo3Se11)2 to be Ce(Mo3Se4)2" +mp-1093729,HfPtAu2,-3.5317892125,2.112232375,2.796305759,2.796305759,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Pt,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Pt +mp-1093618,Cu2AgAu,-1.923521095,1.6526917408,1.690583955,1.690583955,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-Cu,4.0,ABC2_oI8_71_a_b_e:Ag-Au-Cu +mp-20601,NdPb3,-4.35475973,-0.3782375694,0.0,-0.1194365461,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Pb,4.0,AB3_cP4_221_a_c:Nd-Pb +mp-1196232,Nd6Fe13Pb,-7.1879854123,-0.0663950425,0.0054192866,0.0054192866,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Pb,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Pb +mp-1106152,Nd5Pb3,-4.910942265,-0.5386074684000001,0.0,-0.0533555498,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Nd-Pb,16.0,A5B3_hP16_193_dg_g:Nd-Pb +mp-1204902,Nd5Pb4,-4.8741495453,-0.5751133850000001,0.0,-0.066204046,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Nd-Pb,36.0,A5B4_oP36_62_c2d_2cd:Nd-Pb +mp-23165,PtBr3,-3.4032483294,-0.7206937519000001,0.0,-0.7206937519000001,GGA,R-3,A3B_hR144_148_6f_2f:Br-Pt,48.0,A3B_hR144_148_6f_2f:Br-Pt +mp-631576,MoPt2Br,-5.7619830925,0.3732531775,0.9210033413,0.9210033413,GGA,F-43m,ABC2_cF16_216_a_c_bd:Br-Mo-Pt,4.0,ABC2_cF16_216_a_c_bd:Br-Mo-Pt +mp-1208135,Tm12Fe2Pb3,-5.0406395382,-0.2295802024,0.0292356456,0.0292356456,GGA,I4/mmm,A2B3C12_tI34_139_e_ac_hn:Fe-Pb-Tm,17.0,A2B3C12_tI34_139_e_ac_hn:Fe-Pb-Tm +mp-1102328,HoRe2,-10.0707031217,-0.2468820417,0.0,-0.2468820417,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Re,12.0,AB2_hP12_194_f_ah:Ho-Re +mp-1224069,HoFe11Re,-8.4993976315,-0.0226922958,0.0187595942,0.0187595942,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Ho-Re,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Ho-Re +mp-1224172,Ho(Fe5Re)2,-8.8233335,-0.0408969354,0.0160758435,0.0160758435,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Ho-Re,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Ho-Re +mp-976265,Hf2OsPd,-9.7618466575,-0.6814398325000001,0.0173217188,0.0173217188,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Os-Pd,4.0,A2BC_cF16_225_c_a_b:Hf-Os-Pd +mp-862942,NaPmAu2,-3.7504825375,-0.5952746335,0.0,-0.1540539729,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Na-Pm +mp-1186576,PmGePd2,-5.5965268325,-0.6631933831,0.0156614537,0.0156614537,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Ge-Pd-Pm +mp-863685,Pm2GePd,-5.5676564275,-0.7416578500000001,0.0,-0.2317145931,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Pd-Pm,4.0,ABC2_cF16_225_a_b_c:Ge-Pd-Pm +mp-1187785,YbEuGa2,-4.9576501375,-0.4944496062,0.0,-0.01099374,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Ga-Yb,,AB2C_cF16_225_a_c_b:Eu-Ga-Yb +mp-1186501,Pm3Ga,-4.559844395,-0.2399136475,0.0,-0.0494106058,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Pm,4.0,AB3_cP4_221_a_c:Ga-Pm +mp-1186460,Pm2GaSn,-4.701808305,-0.5671201744000001,0.0,-0.0765399817,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Ga-Pm-Sn +mp-863682,PmGa3,-4.0302167225,-0.5715091250000001,0.0,-0.4915379092,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Pm,8.0,A3B_hP8_194_h_c:Ga-Pm +mp-1188731,ThCrSe3,-6.9812120895,-1.4702840589,0.0268417863,0.0268417863,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cr-Se-Th,20.0,AB3C_oP20_62_a_cd_c:Cr-Se-Th +mp-974834,EuNi3,-6.7304262525,0.1689267075,0.2810163435,0.2810163435,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Ni,4.0,AB3_cP4_221_a_c:Eu-Ni +mp-1201182,Eu2Ni17,-6.3249364058,-0.0735507658,0.0051086279,0.0051086279,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Eu-Ni,38.0,A2B17_hP38_194_bc_fgjk:Eu-Ni +mp-636287,Eu3(GaNi)4,-6.4839811655,-0.4836233282,0.0,-0.0810131986,GGA,I-43m,A3B4C4_cI22_217_b_c_c:Eu-Ga-Ni,11.0,A3B4C4_cI22_217_b_c_c:Eu-Ga-Ni +mp-1102481,EuGa3Ni2,-5.66776866,-0.5175081221,0.0,-0.0489794006,GGA,Cmcm,AB3C2_oC24_63_c_cg_e:Eu-Ga-Ni,12.0,AB3C2_oC24_63_c_cg_e:Eu-Ga-Ni +mp-22311,EuNi5,-6.6508249067000005,-0.12454404,0.0,-0.0560408758,GGA,P6/mmm,AB5_hP6_191_a_cg:Eu-Ni,6.0,AB5_hP6_191_a_cg:Eu-Ni +mp-1096478,CaScHg2,-1.0016593725,1.2346980562,1.7255287475,1.7255287475,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Sc,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Sc +mp-1097558,Sc2CdHg,-1.656965825,1.8159112588,2.17576091,2.17576091,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Sc,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Sc +mp-1186937,Sc2CdHg,-3.831010115,-0.3581330312,0.00171662,0.00171662,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Sc,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Sc +mp-867263,ScCdHg2,-2.2260972775,-0.2604173787,0.0,-0.0346266792,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Sc,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Sc +mp-15236,CrSbSe3,-5.540308449,-0.6863518204,0.0,-0.011763038,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Sb-Se,20.0,ABC3_oP20_62_c_c_3c:Cr-Sb-Se +mp-1218018,Ta2GaNi3,-7.6576492442,-0.3103056904,0.0298262707,0.0298262707,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Ga-Ni-Ta,12.0,AB3C2_hP12_194_a_h_f:Ga-Ni-Ta +mp-21175,TaGaNi2,-6.9620500825,-0.3505133294,0.0070107379,0.0070107379,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Ta,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Ta +mp-1217921,TaGaNi6,-6.5620768975,-0.3662401809,0.0,-0.0403986725,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ga-Ni-Ta,8.0,AB6C_tP8_123_a_cdi_b:Ga-Ni-Ta +mp-1226367,CoGeMo,-7.4781361625,0.0475290908,0.2159478567,0.2159478567,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Ge-Mo,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Ge-Mo, expected Co2Ge2Mo3 to be CoGeMo" +mp-864747,HoMgTl2,-2.9229083325,-0.1959145292,0.0380889111,0.0380889111,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Mg-Tl +mp-1205788,HoMgTl,-3.1602941156,-0.3118500933,0.0,-0.0927352521,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-Mg-Tl,9.0,ABC_hP9_189_f_g_ad:Ho-Mg-Tl +mp-1184590,Ho2MgTl,-3.5015907325,-0.2196554983,0.0146563479,0.0146563479,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Ho-Mg-Tl +mp-1225803,Dy5(Sn3Rh)6,-5.3455925003,-0.538969231,0.0213909777,0.0213909777,GGA,F-43m,A5B6C18_cF116_216_ce_g_abeh:Dy-Rh-Sn,29.0,A5B6C18_cF116_216_ce_g_abeh:Dy-Rh-Sn +mp-866290,DySnRh2,-6.6309947000000005,-0.7947510913,0.0,-0.0633369503,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Sn +mp-1079974,DySnRh,-6.22360844,-0.896719585,0.0,-0.1255441101,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Dy-Rh-Sn +mp-1106269,Dy2Sn5Rh3,-5.835609495,-0.7001738385,0.0,-0.0257984655,GGA,Cmc2_1,A2B3C5_oC40_36_2a_3a_5a:Dy-Rh-Sn,20.0,A2B3C5_oC40_36_2a_3a_5a:Dy-Rh-Sn +mp-1205857,LuMgIn,-3.2795862367,-0.3219481367,0.0,-0.0561429663,GGA,P-62m,ABC_hP9_189_ad_f_g:In-Lu-Mg,9.0,ABC_hP9_189_ad_f_g:In-Lu-Mg +mp-865240,Lu2MgIn,-3.610912195,-0.26244599,0.0,-0.0073253562,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Lu-Mg,4.0,AB2C_cF16_225_a_c_b:In-Lu-Mg +mp-1184470,Gd2ZnIn,-8.4673706625,-0.4264527075,0.0,-0.0050132725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-In-Zn,4.0,A2BC_cF16_225_c_a_b:Gd-In-Zn +mp-1018711,GdZnIn,-6.4762771,-0.4470939067,0.0,-0.0333598683,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Gd-In-Zn,6.0,ABC_hP6_194_a_c_d:Gd-In-Zn +mp-1093684,BeAlPd2,-2.9115747225,1.5496133563,2.3029795125,2.3029795125,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Be-Pd,4.0,ABC2_oI8_71_a_b_e:Al-Be-Pd +mp-29844,Tb(AlCl4)3,-4.5549140927,-2.1765682483,0.0,-0.0212820908,GGA,P3_112,A3B12C_hP48_151_ac_6c_b:Al-Cl-Tb,48.0,"Invalid WP multiplicities - A3B12C_hP48_151_2a2c_7c_b:Al-Cl-Tb, expected Tb(Al3Cl7)2 to be Tb(AlCl4)3" +mp-867873,LiTm2Al,-3.85592649,-0.2043841042,0.0,-4.72773e-05,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Tm,4.0,ABC2_cF16_225_a_b_c:Al-Li-Tm +mp-1198488,Er6Al43Mo4,-4.6863965655,-0.3118932826,0.0063311347,0.0063311347,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Mo,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Mo +mp-1025358,Er(Al2Mo)2,-6.2711495686,-0.37953209,0.0046401944,0.0046401944,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Al-Er-Mo,7.0,A4BC2_tI14_139_h_a_d:Al-Er-Mo +mp-1219827,PuAlFe,-8.4851359583,0.3426758317,0.5606005083,0.5606005083,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Pu,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Pu, expected Pu3(AlFe)2 to be PuAlFe" +mp-1103450,SmAlPt,-5.9373419017,-1.0922434733,0.0,-0.1404261983,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pt-Sm,12.0,ABC_oP12_62_c_c_c:Al-Pt-Sm +mp-1225450,ErSiAg,-4.7380847433,-0.4628871289,0.1071567156,0.0631116544,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Er-Si,3.0,ABC_hP3_187_a_d_e:Ag-Er-Si +mp-1084844,ErSiAg,-4.8452414589,-0.5700438444,0.0,-0.0440450611,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Er-Si,9.0,ABC_hP9_189_f_g_bc:Ag-Er-Si +mp-1215329,ZrAl2Zn,-4.80201215,-0.477363175,0.0,-0.0466677027,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Al-Zn-Zr,4.0,A2BC_tP4_123_e_a_c:Al-Zn-Zr +mp-1215442,Zr2Al3Zn,-5.4490787767,-0.51710005,0.0,-0.0352030337,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Zn-Zr,6.0,A3BC2_hR18_166_d_a_c:Al-Zn-Zr +mp-1097425,CuSiTc2,-4.5182747975,3.04317585,3.2873703231,3.2873703231,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Cu-Si-Tc +mp-1076936,ThSiSe,-6.7801028417,-1.3350735891,0.0,-0.0185982031,GGA,I4/mmm,ABC_tI12_139_e_c_e:Se-Si-Th,6.0,ABC_tI12_139_e_c_e:Se-Si-Th +mp-631509,ZrBeCd,-3.6208887967,0.7824456217,0.9450039527,0.9450039527,GGA,F-43m,ABC_cF12_216_a_b_c:Be-Cd-Zr,3.0,ABC_cF12_216_a_b_c:Be-Cd-Zr +mp-867142,Sm2IrPd,-6.645349925,-0.78147786,0.0,-0.0449720571,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Sm +mp-1226295,CrIn3,-4.0911756175,0.3858490475,0.3858490475,0.3858490475,GGA,R-3m,AB3_hR12_166_a_bc:Cr-In,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cr-In, expected CrIn5 to be CrIn3" +mp-1183750,CrIn3,-4.1687154688,0.3083091962,0.3083091962,0.3083091962,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-In,8.0,AB3_hP8_194_c_h:Cr-In +mp-1094395,Mg3Ti,-3.01015395,0.1639290917,0.1793158931,0.1793158931,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Ti,4.0,A3B_oI8_44_ac_b:Mg-Ti +mp-1094396,Mg3Ti,-2.9616917363,0.2123913054,0.2277781069,0.2277781069,GGA,Pmmn,A3B_oP8_59_ae_b:Mg-Ti,8.0,"Invalid WP multiplicities - A3B_oP8_59_2a3e_b:Mg-Ti, expected Mg8Ti to be Mg3Ti" +mp-1094266,Mg3Ti,-2.9505854925,0.2234975492,0.2388843506,0.2388843506,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Ti,4.0,A3B_tI8_139_ad_b:Mg-Ti +mp-1094358,Mg3Ti,-2.96379869,0.2102843517,0.2256711531,0.2256711531,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Ti,4.0,A3B_cF16_225_ac_b:Mg-Ti +mp-1094905,MgTi3,-6.1809543,0.140734725,0.1458636588,0.1458636588,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-Ti,4.0,AB3_oP4_25_a_bcd:Mg-Ti +mp-1094330,MgTi3,-6.18175866,0.139930365,0.1450592988,0.1450592988,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Ti,4.0,AB3_oI8_44_a_bc:Mg-Ti +mp-1094382,MgTi3,-6.186813005,0.13487602,0.1400049538,0.1400049538,GGA,Pmmn,AB3_oP8_59_a_be:Mg-Ti,8.0,"Invalid WP multiplicities - AB3_oP8_59_a_2b3e:Mg-Ti, expected MgTi8 to be MgTi3" +mp-1094376,MgTi3,-6.175950025,0.1457389999999999,0.1508679338,0.1508679338,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Ti,4.0,AB3_tI8_139_a_bd:Mg-Ti +mp-1094865,MgTi3,-6.2334452925,0.0882437325,0.0933726663,0.0933726663,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Ti,4.0,AB3_hP4_187_a_bh:Mg-Ti +mp-978255,MgTi3,-6.1716204025,0.1500686225,0.1551975563,0.1551975563,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Ti,8.0,AB3_hP8_194_c_h:Mg-Ti +mp-1185971,MgTi3,-6.1666286075,0.1550604175,0.1601893513,0.1601893513,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Ti,4.0,AB3_cP4_221_a_c:Mg-Ti +mp-1094328,MgTi3,-6.10094744,0.220741585,0.2258705188,0.2258705188,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Ti,4.0,AB3_cF16_225_a_bc:Mg-Ti +mp-1094356,Mg2Ti,-3.5573736083,0.1413104306,0.1549875874,0.1549875874,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Ti,6.0,A2B_mC12_8_4a_2a:Mg-Ti +mp-1094386,Mg2Ti,-3.5878006504,0.1108833885,0.1245605453,0.1245605453,GGA,P2_1/m,A2B_mP24_11_8e_4e:Mg-Ti,24.0,A2B_mP24_11_16e_8e:Mg-Ti +mp-1094369,Mg2Ti,-3.563649575,0.1350344639,0.1487116207,0.1487116207,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Ti,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Ti, expected Mg3Ti to be Mg2Ti" +mp-1094374,Mg2Ti,-3.4622214183,0.2364626206,0.2501397774,0.2501397774,GGA,C2/c,A2B_mC12_15_f_e:Mg-Ti,6.0,A2B_mC12_15_f_e:Mg-Ti +mp-1094361,Mg2Ti,-3.5614361033,0.1372479356,0.1509250924,0.1509250924,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Ti,6.0,A2B_oC12_38_a3b_2a:Mg-Ti +mp-1094370,Mg2Ti,-3.4979878167000003,0.2006962222,0.2143733791,0.2143733791,GGA,Pmmn,A2B_oP12_59_abe_e:Mg-Ti,12.0,"Invalid WP multiplicities - A2B_oP12_59_2a2b4e_e:Mg-Ti, expected Mg6Ti to be Mg2Ti" +mp-1094344,Mg2Ti,-3.590084845,0.1085991939,0.1222763507,0.1222763507,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Ti,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Ti, expected Mg3Ti to be Mg2Ti" +mp-1094373,Mg2Ti,-3.470747895,0.2279361439,0.2416133007,0.2416133007,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Ti,6.0,A2B_oC12_63_g_c:Mg-Ti +mp-1094502,Mg2Ti,-3.4600759817,0.2386080572,0.2522852141,0.2522852141,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Ti,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Ti, expected Mg3Ti to be Mg2Ti" +mp-1094377,Mg2Ti,-3.5116726117,0.1870114272,0.2006885841,0.2006885841,GGA,R32,A2B_hR18_155_ae_c:Mg-Ti,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Mg-Ti, expected Mg7Ti2 to be Mg2Ti" +mp-1094319,Mg2Ti,-3.5023275617,0.1963564772,0.2100336341,0.2100336341,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Ti,6.0,A2B_hP6_189_ag_c:Mg-Ti +mp-1094362,Mg2Ti,-3.5522687533,0.1464152856,0.1600924424,0.1600924424,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Ti,6.0,A2B_hP6_194_f_c:Mg-Ti +mp-1023608,Mg15Ti,-1.946434825,0.0472959729,0.0665294747,0.0665294747,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Ti,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Ti, expected Mg27Ti to be Mg15Ti" +mp-1094379,Mg4Ti3,-4.1229077857,0.17532025,0.1870435273,0.1870435273,GGA,P6_3/m,A4B3_hP14_176_ch_h:Mg-Ti,14.0,"Invalid WP multiplicities - A4B3_hP14_176_c2h_h:Mg-Ti, expected Mg7Ti3 to be Mg4Ti3" +mp-1094481,Mg4Ti3,-4.1680287957,0.13019924,0.1419225173,0.1419225173,GGA,P6_3/m,A4B3_hP14_176_ch_h:Mg-Ti,14.0,"Invalid WP multiplicities - A4B3_hP14_176_2c2h_h:Mg-Ti, expected Mg8Ti3 to be Mg4Ti3" +mp-1185639,Mg149Ti,-1.6626270935,-0.0203789637,0.0,-0.0203789637,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Ti,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Ti, expected Mg315Ti to be Mg149Ti" +mp-1094325,MgTi2,-5.6277631933,0.1693248344,0.1761634129,0.1761634129,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Ti,6.0,AB2_mC12_8_2a_4a:Mg-Ti +mp-1094359,MgTi2,-5.6534734096,0.1436146182,0.1504531966,0.1504531966,GGA,P2_1/m,AB2_mP24_11_4e_8e:Mg-Ti,24.0,AB2_mP24_11_8e_16e:Mg-Ti +mp-1094351,MgTi2,-5.7353558833000005,0.0617321444,0.0685707229,0.0685707229,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Ti, expected MgTi3 to be MgTi2" +mp-1094511,MgTi2,-5.7147000567,0.0823879711,0.0892265495,0.0892265495,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Ti, expected MgTi3 to be MgTi2" +mp-1094381,MgTi2,-5.64845308,0.1486349478,0.1554735262,0.1554735262,GGA,C2/c,AB2_mC12_15_e_f:Mg-Ti,6.0,AB2_mC12_15_e_f:Mg-Ti +mp-1094380,MgTi2,-5.6101120617,0.1869759661,0.1938145445,0.1938145445,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Ti,6.0,AB2_oC12_38_2a_a3b:Mg-Ti +mp-1094339,MgTi2,-5.6316887300000005,0.1653992978,0.1722378762,0.1722378762,GGA,Pmmn,AB2_oP12_59_e_abe:Mg-Ti,12.0,"Invalid WP multiplicities - AB2_oP12_59_e_2a2b4e:Mg-Ti, expected MgTi6 to be MgTi2" +mp-1094275,MgTi2,-5.7188998600000005,0.0781881678,0.0850267462,0.0850267462,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Ti, expected MgTi3 to be MgTi2" +mp-1094326,MgTi2,-5.623711235,0.1733767928,0.1802153712,0.1802153712,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Ti, expected MgTi3 to be MgTi2" +mp-1094384,MgTi2,-5.6420357367000005,0.1550522911,0.1618908695,0.1618908695,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Ti,6.0,AB2_oC12_63_c_g:Mg-Ti +mp-1094506,MgTi2,-5.6994503467,0.0976376811,0.1044762595,0.1044762595,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Ti, expected MgTi3 to be MgTi2" +mp-1094329,MgTi2,-5.57431386,0.2227741678,0.2296127462,0.2296127462,GGA,R32,AB2_hR18_155_c_ae:Mg-Ti,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Mg-Ti, expected Mg2Ti7 to be MgTi2" +mp-1094371,MgTi2,-5.57423731,0.2228507178,0.2296892962,0.2296892962,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Ti,6.0,AB2_hP6_189_c_ag:Mg-Ti +mp-1097193,MgTiPt2,-3.881554255,1.5279554217,2.3794056766,2.3794056766,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pt-Ti,4.0,AB2C_oI8_71_a_e_b:Mg-Pt-Ti +mp-1094387,MgTi5,-6.7620666817,0.0842233406,0.0876426298,0.0876426298,GGA,Cm,AB5_mC12_8_a_5a:Mg-Ti,6.0,AB5_mC12_8_a_5a:Mg-Ti +mp-1094340,MgTi5,-6.7526287817,0.0936612406,0.0970805298,0.0970805298,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Ti,6.0,AB5_oC12_38_a_2a3b:Mg-Ti +mp-1094322,MgTi5,-6.784669985,0.0616200372,0.0650393264,0.0650393264,GGA,P-6m2,AB5_hP6_187_a_dgh:Mg-Ti,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Mg-Ti, expected MgTi9 to be MgTi5" +mp-1094343,MgTi5,-6.7436648883,0.1026251339,0.1060444231,0.1060444231,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Ti,6.0,AB5_hP6_189_a_cg:Mg-Ti +mp-1096002,TaTc2Sb,-5.8411055875,3.3359086025,3.5847511162,3.5847511162,GGA,Immm,ABC2_oI8_71_a_b_e:Sb-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Sb-Ta-Tc +mp-865846,LuHfRu2,-8.9246564675,-0.66792031,0.0,-0.01904587,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Lu-Ru,4.0,ABC2_cF16_225_a_b_c:Hf-Lu-Ru +mp-867111,LiDy2Ru,-5.3854822175,-0.2862574458,0.0,-0.0211819098,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Ru +mp-961715,HfPtPb,-6.4250743133,0.1552488267,0.9207768767,0.9207768767,GGA,F-43m,ABC_cF12_216_a_c_b:Hf-Pb-Pt,3.0,ABC_cF12_216_a_c_b:Hf-Pb-Pt +mp-861951,LiTaRh2,-7.67314245,-0.5493133908,0.0,-0.121015609,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Ta,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Ta +mp-1184223,ErScRu2,-7.8166082675,-0.4543600188,0.0047544897,0.0047544897,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Sc +mp-1183881,EuCr3,-8.5540597175,1.249976335,1.249976335,1.249976335,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-Eu,4.0,A3B_cF16_225_ac_b:Cr-Eu +mp-1068248,Eu(CrAs)2,-8.240555562,-0.464288852,0.0727635537,0.0727635537,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Cr-Eu,5.0,A2B2C_tI10_139_e_d_a:As-Cr-Eu +mp-1184391,Eu3Cr,-9.6815389475,0.42447427,0.42447427,0.42447427,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Eu,8.0,AB3_hP8_194_c_h:Cr-Eu +mp-1184329,Eu3Cr,-9.6630480475,0.44296517,0.44296517,0.44296517,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Eu,4.0,AB3_cP4_221_a_c:Cr-Eu +mp-865787,TmRh2Pb,-6.316436675,-0.5871621167000001,0.0,-0.0134993738,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Pb-Rh-Tm +mp-867298,CeTlAg2,-3.659880035,-0.1696689579,0.0027203247,0.0027203247,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ce-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Ce-Tl +mp-1183716,Ce2TlAg,-4.3900207925,-0.1246764275,0.0745646912,0.0745646912,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ce-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Ce-Tl +mp-865616,Yb2AgIr,-4.1697073825,-0.4821556967,0.0,-0.0090915789,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Yb,,ABC2_cF16_225_a_b_c:Ag-Ir-Yb +mp-1183779,DyRh2Pb,-6.3193467850000005,-0.5573343725000001,0.00150432,0.00150432,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Pb-Rh +mp-631516,Be2HgTe,-2.0289957325,0.7024572646,0.987638235,0.987638235,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Hg-Te,4.0,A2BC_cF16_225_c_a_b:Be-Hg-Te +mp-1095625,TmAsPd,-5.9523508708,-1.1807389914,0.0,-0.0595012928,GGA,Pnma,ABC_oP12_62_c_c_c:As-Pd-Tm,12.0,ABC_oP12_62_c_c_c:As-Pd-Tm +mp-1184137,DyTmIn2,-4.08230932,-0.4358118892,0.0,-0.0079492245,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-In-Tm +mp-1097483,TcGe2Rh,-4.36491809,2.3778325413,2.6521835953,2.6521835953,GGA,Immm,A2BC_oI8_71_e_a_b:Ge-Rh-Tc,4.0,A2BC_oI8_71_e_a_b:Ge-Rh-Tc +mp-961725,CrGeRh,-7.2169565733,-0.0034955083,0.35992395,0.35992395,GGA,F-43m,ABC_cF12_216_a_c_b:Cr-Ge-Rh,3.0,ABC_cF12_216_a_c_b:Cr-Ge-Rh +mp-1227298,BiSbPd2,-4.9669127475,-0.38459925,0.0569858662,0.0569858662,GGA,P-6m2,AB2C_hP4_187_a_i_d:Bi-Pd-Sb,4.0,AB2C_hP4_187_a_i_d:Bi-Pd-Sb +mp-1206717,LaBiPd,-5.6622416567,-1.0101156417,0.0,-0.1426630346,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-La-Pd,3.0,ABC_cF12_216_a_b_c:Bi-La-Pd +mp-1093906,LaBiPd2,-3.81668074,0.9673842237,1.8038008379,1.8038008379,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-La-Pd,4.0,ABC2_oI8_71_a_b_e:Bi-La-Pd +mp-1201588,Nd6Fe13Hg,-6.9945135388,-0.0433715042,0.0041804464,0.0041804464,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Hg-Nd,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Hg-Nd +mp-1217349,ThFe4Ni,-7.93998842,-0.0943084583,0.0495417715,0.0495417715,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Fe-Ni-Th,6.0,A4BC_hP6_187_ak_c_e:Fe-Ni-Th +mp-1217342,ThFeNi4,-6.80293712,-0.3021994233,0.0509810193,0.0509810193,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Fe-Ni-Th,6.0,AB4C_hP6_187_a_ck_e:Fe-Ni-Th +mp-1217336,ThFe2Ni3,-7.15678567,-0.207733885,0.0815929821,0.0815929821,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Fe-Ni-Th,6.0,A2B3C_hP6_191_c_g_a:Fe-Ni-Th +mp-1217364,Th2(FeNi)5,-7.3619402225,-0.1887313933,0.0643383977,0.0643383977,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Fe-Ni-Th,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Fe-Ni-Th, expected Th2Fe7Ni5 to be Th2(FeNi)5" +mp-864797,NdCrSe3,-6.4712829375,-1.4894970704,0.0,-0.0020566631,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Nd-Se,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_7c:Cr-Nd-Se, expected NdCrSe7 to be NdCrSe3" +mp-976410,Nd3Cr,-5.6226522325,0.3667202094,0.3667202094,0.3667202094,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Nd,4.0,AB3_tI8_139_a_bd:Cr-Nd +mp-1186177,NaTbTl2,-2.9100881625,-0.2395437408,0.0,-0.004364588,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Tb-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Tb-Tl +mp-1186186,NaTb3,-3.5030671475,0.3033387509,0.3033387509,0.3033387509,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Tb,8.0,AB3_hP8_194_c_h:Na-Tb +mp-1186178,NaTb3,-3.498739675,0.3076662234,0.3076662234,0.3076662234,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Tb,4.0,AB3_cF16_225_a_bc:Na-Tb +mp-1225465,Dy13Mg7Co4,-4.2786017867,-0.1317909346,0.0142257989,0.0142257989,GGA,R3m,A4B13C7_hR72_160_ab_a4b_a2b:Co-Dy-Mg,24.0,A4B13C7_hR72_160_ab_a4b_a2b:Co-Dy-Mg +mp-1205839,Dy4Mg3Co2,-4.3241113756,-0.1635976978,0.0,-0.0277883189,GGA,P2/m,A2B4C3_mP9_10_m_2n_am:Co-Dy-Mg,9.0,A2B4C3_mP9_10_m_2n_am:Co-Dy-Mg +mp-1212913,Dy4MgCo,-4.6726556796,-0.1500314787,0.0,-0.0184802062,GGA,F-43m,AB4C_cF96_216_e_efg_e:Co-Dy-Mg,24.0,AB4C_cF96_216_e_efg_e:Co-Dy-Mg +mp-1215355,ZrCrNi,-8.1805876217,-0.1869593617,0.1168631117,0.1168631117,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Ni-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Ni-Zr, expected Zr3(CrNi)2 to be ZrCrNi" +mp-1208377,Ta4CrSe8,-7.6131600785,-1.0707408622,0.0,-0.0091351877,GGA,P6_3/mmc,AB8C4_hP26_194_a_fk_bh:Cr-Se-Ta,26.0,AB8C4_hP26_194_a_fk_bh:Cr-Se-Ta +mp-1187280,Ta3CrSe6,-7.660330989,-1.0401460664,0.0038262742,0.0038262742,GGA,P6_322,AB6C3_hP20_182_c_i_af:Cr-Se-Ta,20.0,"Invalid WP multiplicities - AB6C3_hP20_182_c_i_2a2f:Cr-Se-Ta, expected Ta6CrSe6 to be Ta3CrSe6" +mp-1185577,CsHg3,-0.6773814875,-0.2257706207,0.0077344817,0.0077344817,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cs-Hg,8.0,AB3_hP8_194_c_h:Cs-Hg +mp-11027,Cs3Hg20,-0.5281748215000001,-0.1473133252,0.002357288,0.002357288,GGA,Pm-3n,A3B20_cP46_223_c_adek:Cs-Hg,46.0,"Invalid WP multiplicities - A3B20_cP46_223_c_ade2k:Cs-Hg, expected Cs3Hg32 to be Cs3Hg20" +mp-1097672,Cs2HgTe,-1.551840965,-0.2423932144,0.6183630800000001,0.6080190759,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-Hg-Te,4.0,A2BC_oI8_71_e_a_b:Cs-Hg-Te +mp-1185537,Cs2HgTe,-2.170204045,-0.8607562944,0.0,-0.0103440041,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cs-Hg-Te,4.0,A2BC_cF16_225_c_a_b:Cs-Hg-Te +mp-574379,CsHg2,-0.7579055017,-0.2569844676,0.0,-0.0344195221,GGA,Imma,AB2_oI12_74_e_h:Cs-Hg,6.0,AB2_oI12_74_e_h:Cs-Hg +mp-1080797,CsHg,-0.8156949637,-0.2161535952,0.0,-0.0234152445,GGA,P-1,AB_aP8_2_2i_2i:Cs-Hg,8.0,AB_aP8_2_2i_2i:Cs-Hg +mp-542239,Cs5Hg19,-0.6487212029,-0.2217654198,0.0,-0.0233359778,GGA,I4/m,A5B19_tI48_87_ah_bd2i:Cs-Hg,24.0,A5B19_tI48_87_ah_bd2i:Cs-Hg +mp-568335,Cs2Hg27,-0.4372698257,-0.0927810465,0.0,-0.0148912424,GGA,Im-3,A2B27_cI174_204_e_af4gh:Cs-Hg,87.0,"Invalid WP multiplicities - A2B27_cI174_204_e_a8f40g15h:Cs-Hg, expected Cs6Hg905 to be Cs2Hg27" +mp-1185553,Cs3Hg,-0.7512057125,-0.0037338422,0.1043429554,0.1043429554,GGA,Pm-3m,A3B_cP4_221_c_a:Cs-Hg,4.0,A3B_cP4_221_c_a:Cs-Hg +mp-1079319,YbMgPb,-2.5542964478,-0.2701179811,0.1054688094,0.1054688094,GGA,P-62m,ABC_hP9_189_ad_g_f:Mg-Pb-Yb,,ABC_hP9_189_ad_g_f:Mg-Pb-Yb +mp-1097480,MgSc2Ir,-3.7663522825,2.0095608275,2.6149655024,2.6149655024,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mg-Sc,4.0,ABC2_oI8_71_a_b_e:Ir-Mg-Sc +mp-1185963,MgSc2Ir,-6.34250373,-0.56659062,0.0388140549,0.0388140549,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Mg-Sc +mp-1097366,MgScIr2,-4.1963630275,2.2060413512,2.9233829441,2.9233829441,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Mg-Sc,4.0,A2BC_oI8_71_e_a_b:Ir-Mg-Sc +mp-1185957,MgScIr2,-7.1155653375,-0.7131609587000001,0.0041806341,0.0041806341,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Sc,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Sc +mp-1190803,GdEr4Al15,-4.844005038,-0.4174732915,0.0056964,0.0056964,GGA,R-3m,A15B4C_hR60_166_d2h_2c_b:Al-Er-Gd,20.0,A15B4C_hR60_166_d2h_2c_b:Al-Er-Gd +mp-1225066,GdErAl6,-5.5666723904,-0.4270103867,0.0020847646,0.0003795821,GGA,R3m,A6BC_hR72_160_6b_3a_3a:Al-Er-Gd,24.0,"Invalid WP multiplicities - A6BC_hR72_160_18b_3a_3a:Al-Er-Gd, expected GdErAl18 to be GdErAl6" +mp-1224902,GdErAl6,-5.568757155,-0.4290951513,0.0,-0.0017051825,GGA,P6_3/mmc,A6BC_hP16_194_gh_c_a:Al-Er-Gd,16.0,A6BC_hP16_194_gh_c_a:Al-Er-Gd +mp-1186313,NdHoZn2,-3.2925784025,-0.3250675219,0.0075842575,0.0075842575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Nd-Zn +mp-1213053,DyZnSn,-3.8811410233,-0.5891069217,0.0,-0.060391537,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Dy-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Dy-Sn-Zn +mp-1195710,Zr(Zn10Cu)2,-1.9389923572,-0.1154712193,0.0,-0.0187937918,GGA,Fd-3m,A2B20C_cF184_227_d_cfg_a:Cu-Zn-Zr,46.0,A2B20C_cF184_227_d_cfg_a:Cu-Zn-Zr +mp-1095940,Zr2ZnCu,-2.6305729975,2.9830148875,3.2015801321,3.2015801321,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Zn-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Zn-Zr +mp-1194230,Zr6Zn16Cu7,-3.696804199,-0.2438197772,0.0,-0.0091766039,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Cu-Zn-Zr,29.0,A7B16C6_cF116_225_ad_2f_e:Cu-Zn-Zr +mp-1192282,Zr3ZnCu2,-6.0061777779,-0.1559679712,0.0397222732,0.0397222732,GGA,Fd-3m,A2BC3_cF96_227_e_c_f:Cu-Zn-Zr,24.0,A2BC3_cF96_227_e_c_f:Cu-Zn-Zr +mp-1215166,ZrZnCu2,-4.6063846875,-0.1049202925,0.1167011875,0.1075328765,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Cu-Zn-Zr,4.0,A2BC_tP4_123_h_a_b:Cu-Zn-Zr +mp-11366,ZrZnCu2,-4.723085875,-0.22162148,0.0,-0.009168311,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Cu-Zn-Zr +mp-631480,IrOs2Br,-7.0100122275,1.201537115,1.4586748933,1.4586748933,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Br-Ir-Os,4.0,ABC2_cF16_225_a_b_c:Br-Ir-Os +mp-1226888,CeMnIn,-5.9799461033,-0.031016711,0.171347654,0.171347654,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-In-Mn,3.0,ABC_hP3_187_b_c_e:Ce-In-Mn +mp-981314,YbLuPd2,-5.0157754875,-0.9106948825,0.0066418175,0.0066418175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Yb,,AB2C_cF16_225_a_c_b:Lu-Pd-Yb +mp-1009084,BeSnAs2,-4.442035605,-0.1752302225,0.0,-0.1356333978,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Be-Sn,8.0,A2BC_tI16_122_d_a_b:As-Be-Sn +mp-1192721,La3IrBr3,-5.8400890643,-1.7964404236,0.0,-0.1016382829,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-Ir-La,28.0,A3BC3_cI56_214_h_a_g:Br-Ir-La +mp-978953,SrAcTl2,-3.02995215,-0.3959634615,0.0,-0.1225194117,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Ac-Sr-Tl +mp-754673,Er6Te2Ru,-5.5061433444,-0.7319958793,0.05522887,0.05522887,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Er-Ru-Te,9.0,"Invalid WP multiplicities - A6BC2_hP9_189_2f2g_a_d:Er-Ru-Te, expected Er12Te2Ru to be Er6Te2Ru" +mp-645701,Er17(TeRu2)3,-6.0896754898,-0.6001542325,0.0313252625,0.0313252625,GGA,P-1,A17B6C3_aP52_2_ac16i_6i_3i:Er-Ru-Te,52.0,"Invalid WP multiplicities - A17B6C3_mC104_12_ad30i_11i_6i:Er-Ru-Te, expected Er31Te6Ru11 to be Er17(TeRu2)3" +mp-1181630,Er17(TeRu2)3,-6.0807923423,-0.591271085,0.04020841,0.04020841,GGA,C2/m,A17B6C3_mC104_12_ac16i_6i_3i:Er-Ru-Te,52.0,"Invalid WP multiplicities - A17B6C3_mC104_12_ad30i_11i_6i:Er-Ru-Te, expected Er31Te6Ru11 to be Er17(TeRu2)3" +mp-976584,Hf9Mo4As,-10.0968586018,-0.264257165,0.0,-0.0069759323,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:As-Hf-Mo,28.0,AB9C4_hP28_194_c_hk_ah:As-Hf-Mo +mp-1224590,Hf15Mo11As2,-10.04928307,-0.1214893746,0.1664559425,0.1664559425,GGA,P-6m2,A2B15C11_hP28_187_ad_j2n_ij2k:As-Hf-Mo,28.0,"Invalid WP multiplicities - A2B15C11_hP28_187_ad_j3n_ij2k:As-Hf-Mo, expected Hf21Mo11As2 to be Hf15Mo11As2" +mp-4025,TmNiSb,-5.7594852967,-0.9644941822,0.0,-0.1684307183,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Tm,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Tm +mp-1207984,Tm5Ni2Sb,-5.338359345,-0.5798028804,0.0,-0.0117391077,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Ni-Sb-Tm,16.0,A2BC5_tI32_140_h_a_cl:Ni-Sb-Tm +mp-1095871,TaBe2Os,-3.5132080375,4.12778466,4.422867341,4.422867341,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Os-Ta,4.0,A2BC_oI8_71_e_a_b:Be-Os-Ta +mp-1096667,TaBeOs2,-5.56945451,3.9435268287,4.1632858896,4.1632858896,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Os-Ta,4.0,AB2C_oI8_71_a_e_b:Be-Os-Ta +mp-1183882,Eu2HgSb,-7.0720970725,-0.8354257712000001,0.0349322504,0.0349322504,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-Sb,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-Sb +mp-862872,PmAgAu2,-4.1148013175,-0.582085736,0.0,-0.0746107625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Pm,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Pm +mp-1186438,Pm2AgAu,-4.4358419975,-0.5339613354,0.0,-0.2090358429,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Pm +mp-1207394,Zr5CdSb2,-7.0495769038,-0.55965248,0.000690835,0.000690835,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Cd-Sb-Zr,16.0,AB2C5_tI32_140_a_h_bk:Cd-Sb-Zr +mp-1195597,Ir2(Se3Br2)3,-4.1479403254000005,-0.709220229,0.0,-0.1088534998,GGA,I4_1/a,A6B2C9_tI136_88_3f_f_e4f:Br-Ir-Se,68.0,A6B2C9_tI136_88_3f_f_e4f:Br-Ir-Se +mp-1192469,Ir(SeBr3)3,-3.2253327069,-0.6635308928,0.0746426558,0.0746426558,GGA,P-1,A9BC3_aP26_2_9i_i_3i:Br-Ir-Se,26.0,A9BC3_aP26_2_9i_i_3i:Br-Ir-Se +mp-1194789,Ir(SeBr3)3,-3.2051385012,-0.6433366871,0.0948368616,0.0948368616,GGA,P2_1/c,A9BC3_mP52_14_9e_e_3e:Br-Ir-Se,52.0,A9BC3_mP52_14_9e_e_3e:Br-Ir-Se +mp-1195337,Ir(SeBr3)3,-3.2194682677,-0.6576664536,0.080507095,0.080507095,GGA,P2_1/c,A9BC3_mP52_14_9e_e_3e:Br-Ir-Se,52.0,A9BC3_mP52_14_9e_e_3e:Br-Ir-Se +mp-1222293,LuBiTe3,-4.58699091,-1.028719444,0.0230434875,0.0230434875,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-Lu-Te,5.0,ABC3_hR15_160_a_a_3a:Bi-Lu-Te +mp-1097235,MgFePt2,-3.6370975175,1.9160444575,2.3878364012,2.3878364012,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Fe-Mg-Pt +mp-10383,LaTeAs,-5.6915456267,-1.4454018256,0.0,-0.059231164,GGA,Pnma,ABC_oP12_62_c_c_c:As-La-Te,12.0,ABC_oP12_62_c_c_c:As-La-Te +mp-631421,CrGaTe,-4.9184488,0.3563676619,0.73976091,0.73976091,GGA,F-43m,ABC_cF12_216_a_c_b:Cr-Ga-Te,3.0,ABC_cF12_216_a_c_b:Cr-Ga-Te +mp-31414,DySnAu,-4.781255125,-0.81784156,0.0,-0.0855225296,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Dy-Sn,6.0,ABC_hP6_186_b_a_b:Au-Dy-Sn +mp-1072501,DySnAu,-4.6850296317,-0.7216160667,0.0962254933,0.0107029638,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Dy-Sn,6.0,ABC_hP6_194_c_a_d:Au-Dy-Sn +mp-1213322,Dy2SnAu2,-4.570662358,-0.616480451,0.227670519,0.227670519,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Au-Dy-Sn,10.0,A2B2C_tP10_127_h_g_a:Au-Dy-Sn +mp-1105466,Dy2SnAu2,-4.793767153,-0.8395852460000001,0.004565724,0.004565724,GGA,P4_2/mnm,A2B2C_tP20_136_j_fg_d:Au-Dy-Sn,20.0,A2B2C_tP20_136_j_fg_d:Au-Dy-Sn +mp-866287,DySnAu2,-4.4850207375,-0.6939900638000001,0.0,-0.0146836404,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Dy-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Dy-Sn +mp-1185347,LiDy2Ga,-3.85105131,-0.3134031677,0.0224312815,0.0224312815,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Dy-Ga-Li +mp-1104129,Sn(Mo3Se4)2,-7.2061477227,-0.7360967669,0.054079293,0.054079293,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Sn,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Sn +mp-1219414,Sn3Mo15Se19,-7.2294264778,-0.7122430916,0.0485683174,0.0485683174,GGA,P2_1/m,A15B19C3_mP74_11_3e6f_3e8f_ef:Mo-Se-Sn,74.0,"Invalid WP multiplicities - A15B19C3_mP74_11_6e24f_6e26f_ef:Mo-Se-Sn, expected Sn3(Mo27Se29)2 to be Sn3Mo15Se19" +mp-1199886,Sn2Mo15Se19,-7.2975563725,-0.7107171104000001,0.0712279489,0.0712279489,GGA,R-3c,A15B19C2_hR216_167_e2f_2ce2f_c:Mo-Se-Sn,72.0,A15B19C2_hR216_167_e2f_2ce2f_c:Mo-Se-Sn +mp-1183278,AlPb3,-3.564782885,0.156096375,0.156096375,0.156096375,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Pb,4.0,AB3_tI8_139_a_bd:Al-Pb +mp-1183279,AlPb3,-3.5239524125,0.1969268475,0.1969268475,0.1969268475,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Pb,8.0,AB3_hP8_194_c_h:Al-Pb +mp-631582,AlTc2Pb,-6.503862785,0.5410124125,0.851821205,0.851821205,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Pb-Tc,4.0,ABC2_cF16_216_a_c_bd:Al-Pb-Tc +mp-972274,Tm2ZnHg,-3.0322543425,-0.4034806371,0.016302645,0.016302645,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Tm-Zn +mp-1026817,LiMg14Nb,-2.0689621169,0.081922171,0.1127409191,0.1127409191,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Nb, expected LiMg18Nb to be LiMg14Nb" +mp-1026820,LiMg14Nb,-2.0829404425,0.0679438454,0.0987625934,0.0987625934,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Nb, expected LiMg26Nb to be LiMg14Nb" +mp-1021284,LiMg6Nb,-2.5203973081,0.1810912177,0.2159778654,0.2159778654,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Nb, expected LiMg12Nb to be LiMg6Nb" +mp-1021316,LiMg6Nb,-2.5118742106000003,0.1896143152,0.2245009629,0.2245009629,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Nb, expected LiMg12Nb to be LiMg6Nb" +mp-863705,Pm2MgGa,-3.8713814625,-0.3390162831,0.0,-0.0835756406,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Pm,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Pm +mp-1206664,Li2ZrAl,-4.0446936975,-0.0169131492,0.2259531481,0.2259531481,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Li-Zr,4.0,AB2C_cF16_216_a_bc_d:Al-Li-Zr +mp-865840,Ti2TcIr,-9.594122745,-0.8466084554000001,0.0,-0.169515155,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Tc-Ti +mp-1093653,HfTiRh2,-5.6361290825,2.5091951142,3.3090768275,3.3090768275,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Rh-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Rh-Ti +mp-973538,Lu2AlZn,-3.88430927,-0.37250415,0.0082487722,0.0082487722,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Lu-Zn +mp-631368,SiSbOs2,-7.2027909575,0.799472575,0.9936473952,0.9936473952,GGA,F-43m,A2BC_cF16_216_ac_b_d:Os-Sb-Si,4.0,A2BC_cF16_216_ac_b_d:Os-Sb-Si +mp-865855,Ac2SiPd,-5.26704753,-0.5551600662,0.0,-0.2572562822,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Pd-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Pd-Si +mp-570837,Cs(AsRu)2,-6.146981964,-0.3944931116,0.0,-0.1127483432,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Cs-Ru,5.0,A2BC2_tI10_139_e_a_d:As-Cs-Ru +mp-862821,PaSnAu2,-5.42283528,-0.4048351513,0.0,-0.1467740346,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pa-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Pa-Sn +mp-865799,Yb2AsAu,-3.8371429525,-1.0840887112,0.0,-0.0426884767,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Au-Yb,,ABC2_cF16_225_a_b_c:As-Au-Yb +mp-865783,YbHoRh2,-6.0042892925,-0.79163107,0.0,-0.03074921,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Yb,,AB2C_cF16_225_a_c_b:Ho-Rh-Yb +mp-865872,LiZr2Re,-8.0109149475,-0.1487021196,0.0117820685,0.0117820685,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Re-Zr,4.0,ABC2_cF16_225_a_b_c:Li-Re-Zr +mp-1226674,CeSbRh,-6.6958162417,-0.88701682,0.1597593775,0.0042701873,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Rh-Sb,6.0,ABC_mC12_12_i_i_i:Ce-Rh-Sb +mp-22249,CeSbRh,-6.8555756192,-1.0467761975,0.0,-0.1554891902,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Rh-Sb,12.0,ABC_oP12_62_c_c_c:Ce-Rh-Sb +mp-1227249,Ce2Sb3Rh4,-6.5582673611,-0.5904436378,0.2605327803,0.2605327803,GGA,P4mm,A2B4C3_tP9_99_ab_2c_2ab:Ce-Rh-Sb,9.0,"Invalid WP multiplicities - A2B4C3_tP9_99_ab_4c_2ab:Ce-Rh-Sb, expected Ce2Sb3Rh8 to be Ce2Sb3Rh4" +mp-1200949,Ce2Sb4Rh3,-6.4355514192,-0.8272062103000001,0.0672783142,0.0672783142,GGA,Pnma,A2B3C4_oP36_62_2c_3c_4c:Ce-Rh-Sb,36.0,A2B3C4_oP36_62_2c_3c_4c:Ce-Rh-Sb +mp-1204028,Sm6Fe13Bi,-7.2315879057,-0.1184738222,0.0,-0.0157373567,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Sm,40.0,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Sm +mp-1187565,Tm2IrPt,-7.0637137825,-1.0984041958,0.0417149999999999,0.0417149999999999,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Pt-Tm +mp-1186643,PmSmGa2,-4.44828962,-0.5669594944,0.0,-0.0439581871,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:Ga-Pm-Sm +mp-1103746,GdGePt,-9.3684506425,-1.1116895042,0.0,-0.2538540852,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ge-Pt,12.0,ABC_oP12_62_c_c_c:Gd-Ge-Pt +mp-1209768,Pr8Sb14Pt17,-5.9612815558,-0.8519859188000001,0.0520866355,0.0520866355,GGA,I4cm,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Pr-Pt-Sb,78.0,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Pr-Pt-Sb +mp-1209759,Pr3Sb4Pt7,-6.0799773557,-0.8402162511,0.0579570164,0.0579570164,GGA,C2/m,A3B7C4_mC28_12_ai_c3i_2i:Pr-Pt-Sb,14.0,A3B7C4_mC28_12_ai_d3i_2i:Pr-Pt-Sb +mp-1018902,PrSbPt,-6.1650178483,-1.1713377433,0.0,-0.066094325,GGA,P6_3mc,ABC_hP6_186_a_b_b:Pr-Pt-Sb,6.0,ABC_hP6_186_a_b_b:Pr-Pt-Sb +mp-1105663,Pr3Sb4Pt3,-6.002056871,-1.0948446525,0.0,-0.0163797591,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Pr-Pt-Sb,20.0,A3B3C4_cI40_220_a_b_c:Pr-Pt-Sb +mp-1225586,ErGaAu,-4.4078160767,-0.7845837992,0.0,-0.039536015,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Er-Ga,6.0,ABC_mC12_12_i_i_i:Au-Er-Ga +mp-1104332,Er3Ga8Au3,-3.9347796736,-0.5240960586,0.0219949382,0.0219949382,GGA,Immm,A3B3C8_oI28_71_bf_ag_2n:Au-Er-Ga,14.0,A3B3C8_oI28_71_bf_ag_2n:Au-Er-Ga +mp-607514,Pr(In2Au)2,-3.6144921389,-0.4237200425,0.0004357682,0.0004357682,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Au-In-Pr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_6c_12c_c:Au-In-Pr, expected Pr(In2Au)6 to be Pr(In2Au)2" +mp-570611,PrInAu2,-4.19574907,-0.6756606987,0.0,-0.0459430213,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Pr,4.0,A2BC_cF16_225_c_a_b:Au-In-Pr +mp-1205890,Pr2InAu2,-4.532838219,-0.760586371,0.0,-0.009785483,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Pr,10.0,A2BC2_tP10_127_g_a_h:Au-In-Pr +mp-621132,PrInAu,-4.3243514467,-0.722194285,0.0,-0.0459837139,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Pr,9.0,ABC_hP9_189_ad_g_f:Au-In-Pr +mp-644280,GaCuPt2,-5.2930099875,-0.4756176544,0.0,-0.0577881244,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Cu-Ga-Pt,4.0,ABC2_tP4_123_a_c_e:Cu-Ga-Pt +mp-862791,GaCuPt2,-5.24416363,-0.4267712969,0.0488463575,-0.0089417669,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Pt,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Pt +mp-1212428,HfFeAs,-8.4006591883,-0.7052163067,0.0,-0.0401880692,GGA,Pnma,ABC_oP12_62_c_c_c:As-Fe-Hf,12.0,ABC_oP12_62_c_c_c:As-Fe-Hf +mp-862846,CaLaHg2,-2.4589654025,-0.5717234738,0.0,-0.045782275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-La,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-La +mp-1018020,NiAgSe2,-4.276510785,-0.3753818753,0.0653089334,0.0653089334,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Ni-Se,4.0,ABC2_hR12_160_a_a_2a:Ag-Ni-Se +mp-571479,BaYbSn3,-3.719106172,-0.6216464150000001,0.0,-0.0069508457,GGA,Cmce,AB3C_oC80_64_df_2f2g_g:Ba-Sn-Yb,,"Invalid WP multiplicities - AB3C_oC80_64_3d3f_8f9g_g:Ba-Sn-Yb, expected Ba3YbSn13 to be BaYbSn3" +mp-1183361,Ba3Yb,-1.7817105175,0.0424227575,0.0424227575,0.0424227575,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Yb,,A3B_tI8_139_ad_b:Ba-Yb +mp-1183354,Ba3Yb,-1.7896888438,0.0344444313,0.0344444313,0.0344444313,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Yb,,A3B_hP8_194_h_c:Ba-Yb +mp-1183315,Ba3Yb,-1.7818571250000002,0.04227615,0.04227615,0.04227615,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Yb,,A3B_cP4_221_c_a:Ba-Yb +mp-1183050,BaYb3,-1.5936155125,0.0408344325,0.0408344325,0.0408344325,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Yb,,AB3_tI8_139_a_bd:Ba-Yb +mp-1183433,BaYb3,-1.5902399775,0.0442099675,0.0442099675,0.0442099675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Yb,,AB3_hP8_194_c_h:Ba-Yb +mp-1183398,BaYb3,-1.601194255,0.03325569,0.03325569,0.03325569,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-Yb,,AB3_cP4_221_a_c:Ba-Yb +mp-1183399,BaYb3,-1.5864664575,0.0479834875,0.0479834875,0.0479834875,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Yb,,AB3_cF16_225_a_bc:Ba-Yb +mp-1223859,In2GaAs3,-3.9979009667,-0.2464311838,0.02351638,0.02351638,GGA,I-4m2,A3BC2_tI12_119_ae_c_f:As-Ga-In,6.0,A3BC2_tI12_119_ae_c_f:As-Ga-In +mp-1224045,InGa5As4,-3.864428033,-0.2115642868,0.0704498223,0.0704498223,GGA,R3m,A4B5C_hR30_160_4a_5a_a:As-Ga-In,10.0,A4B5C_hR30_160_4a_5a_a:As-Ga-In +mp-1223781,InGaAs2,-4.0491408525,-0.2746367119,0.01595337,0.01595337,GGA,P-4m2,A2BC_tP4_115_g_a_c:As-Ga-In,4.0,A2BC_tP4_115_g_a_c:As-Ga-In +mp-1223791,InGaAs2,-4.0329601225,-0.2584559819,0.0321341,0.0321341,GGA,R3m,A2BC_hR12_160_2a_a_a:As-Ga-In,4.0,A2BC_hR12_160_2a_a_a:As-Ga-In +mp-1103320,PrGeIr,-6.8778809217,-0.7970916583000001,0.0,-0.025712275,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Pr,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Pr +mp-1079141,Pr(GeIr)2,-7.116965743,-0.7761997780000001,0.0,-0.0957669716,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Pr,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Pr +mp-1201823,Pr3Ge13Ir4,-5.9980718497000005,-0.5082810447,0.024301126,0.024301126,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Pr,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Pr +mp-1188518,Pr2Ge5Ir3,-6.6678466665,-0.7486213340000001,0.0,-0.0358881105,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Pr,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Pr +mp-1188330,PrGe2Ir,-6.50770643,-0.7913575187,0.0,-0.0284580642,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-Pr,16.0,A2BC_oI32_71_efm_m_ei:Ge-Ir-Pr +mp-1206275,Pr2(GeIr)3,-4.200103215,2.0431714869,2.8272057200000003,2.8272057200000003,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Pr,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Pr +mp-574138,Cs2Te3As,-3.4775222842,-0.8308821460000001,0.0,-0.0009715625,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:As-Cs-Te,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_4e_7e:As-Cs-Te, expected Cs4Te7As to be Cs2Te3As" +mp-1207144,Sm2MgPd2,-5.014744991,-0.735301803,0.010151522,0.010151522,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Pd-Sm,10.0,AB2C2_tP10_127_a_g_h:Mg-Pd-Sm +mp-1208963,Sm4MgPd,-4.6058215933,-0.3300705267,0.0056397808,0.0056397808,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Pd-Sm,24.0,ABC4_cF96_216_e_e_efg:Mg-Pd-Sm +mp-1079743,SmMgPd,-4.5043366133,-0.671420615,0.0,-0.0505284598,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pd-Sm,9.0,ABC_hP9_189_f_bc_g:Mg-Pd-Sm +mp-1210911,Lu2(Al3Ir)3,-5.7882677436000005,-0.8405973114,0.0,-0.1700028093,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Lu,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Lu +mp-1226635,CeEuAl4,-5.6247312067,-0.4293321608,0.0,-0.0029621533,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Eu,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Eu +mp-1093853,Sc2ZnCd,-1.697735405,2.01415749,2.3500214675,2.3500214675,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Sc-Zn +mp-1096412,ScZn2Cd,-1.0342219075,1.4094896137,1.6897179508,1.6897179508,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Sc-Zn,4.0,ABC2_oI8_71_a_b_e:Cd-Sc-Zn +mp-1106219,Zr5AlPb3,-6.7516377333,-0.3491910456,0.0,-0.1347232175,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Al-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Al-Pb-Zr +mp-1095789,Sc2ZnIn,-2.13445234,2.0346390475,2.44185532,2.44185532,GGA,Immm,AB2C_oI8_71_a_e_b:In-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:In-Sc-Zn +mp-1186966,Sc2ZnIn,-4.5670345375,-0.39794315,0.0092731225,0.0092731225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:In-Sc-Zn +mp-1220051,NdHoAl4,-4.553610665,-0.4981340613,0.0089109983,0.0089109983,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ho-Nd,6.0,A4BC_cF24_216_e_a_c:Al-Ho-Nd +mp-1215327,ZrAlIr,-7.8654033408,-0.8214997942000001,0.0288551675,0.0288551675,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ir-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ir-Zr, expected Zr3(AlIr)2 to be ZrAlIr" +mp-1193568,Zr6Al16Ir7,-6.8274128424,-0.8589833141000001,0.0,-0.1173933591,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Zr +mp-973603,Lu2ZnPd,-4.5304181575,-0.6600365425,0.0077283475,0.0077283475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pd-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Pd-Zn +mp-1087473,LuZnPd,-4.4258605633,-0.77233525,0.0,-0.0608471602,GGA,P-62m,ABC_hP9_189_f_ad_g:Lu-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Lu-Pd-Zn +mp-865563,LuZnPd2,-4.8363380275,-0.80122359,0.0,-0.0027959884,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Lu-Pd-Zn +mp-1025063,LiAlPt,-4.629477765,-0.7209337594,0.1002124808,0.1002124808,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Al-Li-Pt,6.0,ABC_hP6_194_c_d_a:Al-Li-Pt +mp-30819,LiAl2Pt,-4.6947549575,-0.8269529958,0.0,-0.1156839996,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Al-Li-Pt +mp-862296,LiAlPt2,-5.3881464625,-0.9389551283,0.0,-0.1140214306,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Pt,4.0,ABC2_cF16_225_a_b_c:Al-Li-Pt +mp-30818,Li2AlPt,-4.1061693175,-0.6975305967000001,0.0,-0.0752231012,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Li-Pt,4.0,AB2C_cF16_216_a_bc_d:Al-Li-Pt +mp-1213111,Dy2Si3Pd,-6.00129817,-0.8897299067000001,0.0,-0.0987413302,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Dy-Pd-Si,24.0,A2BC3_hP24_194_bh_f_k:Dy-Pd-Si +mp-1213199,Dy3(Si3Pd10)2,-6.0040567986,-0.8326807676,0.0,-0.0676700348,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Dy-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:Dy-Pd-Si +mp-569825,Dy10Si17,-5.7484285833,-0.6262702533,0.0,-0.0390978033,GGA,Imm2,A10B17_oI54_44_c2e_2ab7d:Dy-Si,27.0,"Invalid WP multiplicities - A10B17_oI54_44_2c6e_2ab14d:Dy-Si, expected Dy28Si31 to be Dy10Si17" +mp-542828,Dy5Si4,-5.6839091411,-0.7133306611,0.0181333689,0.0181333689,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Dy-Si,36.0,A5B4_oP36_62_c2d_2cd:Dy-Si +mp-1226390,Dy3Si4,-5.7308704136,-0.6563514650000001,0.044634629,0.044634629,GGA,Cm,A3B4_mC56_8_12a_16a:Dy-Si,28.0,A3B4_mC56_8_12a_16a:Dy-Si +mp-1182,DySi,-5.8064422438,-0.7903898088,0.0022929987,-0.1019875459,GGA,Pnma,AB_oP8_62_c_c:Dy-Si,8.0,AB_oP8_62_c_c:Dy-Si +mp-2620,DySi,-5.8087352425,-0.7926828075,0.0,-0.1042805447,GGA,Cmcm,AB_oC8_63_c_c:Dy-Si,4.0,AB_oC8_63_c_c:Dy-Si +mp-1225435,Dy2SiPd2,-5.793206156,-0.79347509,0.1207483271,0.1207483271,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:Dy-Pd-Si,20.0,A2B2C_oP20_58_2g_2g_g:Dy-Pd-Si +mp-1105784,DySiPd2,-6.0816639787,-0.9836968562,0.0,-0.0670196154,GGA,Pnma,AB2C_oP16_62_c_d_c:Dy-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Dy-Pd-Si +mp-1225291,Dy2Si3,-5.67168237,-0.5737768160000001,0.0905305926,0.0905305926,GGA,Imm2,A2B3_oI10_44_ab_2ab:Dy-Si,5.0,A2B3_oI10_44_ab_2ab:Dy-Si +mp-3301,Dy(SiPd)2,-6.080429356,-0.916992052,0.0,-0.092768413,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Pd-Si +mp-2836,Dy5Si3,-5.5686765944,-0.6549405581000001,0.0,-0.0530678128,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Si,16.0,A5B3_hP16_193_dg_g:Dy-Si +mp-12770,DySi2,-5.6494240267,-0.4969497267,0.0666935013,0.0666935013,GGA,I4_1/amd,AB2_tI12_141_a_e:Dy-Si,6.0,AB2_tI12_141_a_e:Dy-Si +mp-993,DySi2,-5.6290091567000005,-0.4765348567,0.0871083713,0.0871083713,GGA,P6/mmm,AB2_hP3_191_a_d:Dy-Si,3.0,AB2_hP3_191_a_d:Dy-Si +mp-863714,Pm2NiRh,-6.1443081525,-0.4829258537,0.0,-0.2959225304,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Ni-Pm-Rh +mp-862884,CaPmPd2,-5.025019175,-0.7460427194,0.0,-0.1171860305,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Pm +mp-866224,Be2NiPt,-5.4750278175,-0.642503885,0.0,-0.2698842055,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ni-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Ni-Pt +mp-1096672,Sc2AgPb,-2.940537205,1.8619981158,2.2638230746,2.2638230746,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pb-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Pb-Sc +mp-865536,YbZrRh2,-6.95860877,-0.7546276075,0.0,-0.0527970162,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Yb-Zr,,A2BC_cF16_225_c_a_b:Rh-Yb-Zr +mp-972879,Sc2RuAu,-6.9833608175,-0.6800551300000001,0.0,-0.004467305,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Ru-Sc +mp-865325,Lu2CoRu,-6.74528295,-0.3891276062,0.0,-0.0085372125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Co-Lu-Ru +mp-978988,TbTmHg2,-2.90655344,-0.4771628767,0.0066799825,0.0066799825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tb-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Tb-Tm +mp-1198309,Sc5OsCl9,-6.1395194617,-2.1710832688,0.0,-0.0106520034,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Cl-Os-Sc,120.0,A9BC5_tI240_88_9f_f_5f:Cl-Os-Sc +mp-571035,OsCl4,-4.59967704,-0.875374226,0.0,-0.875374226,GGA,Cmmm,A4B_oC10_65_gj_a:Cl-Os,5.0,"Invalid WP multiplicities - A4B_oC10_65_2gj_a:Cl-Os, expected OsCl6 to be OsCl4" +mp-1105775,Sc4OsCl4,-6.6182491428,-1.7347613106000002,0.0,-0.0378043958,GGA,C2/c,A4BC4_mC36_15_2f_e_2f:Cl-Os-Sc,18.0,A4BC4_mC36_15_2f_e_2f:Cl-Os-Sc +mp-1186356,Os3Cl,-7.7330969,1.1495628375,1.4231172831,1.4231172831,GGA,Fm-3m,AB3_cF16_225_a_bc:Cl-Os,4.0,AB3_cF16_225_a_bc:Cl-Os +mp-1208911,Sm4As3,-5.9638353614,-1.2707353964,0.0318340636,0.0318340636,GGA,I-43d,A3B4_cI28_220_a_c:As-Sm,14.0,A3B4_cI28_220_a_c:As-Sm +mp-8951,SmAsPd,-6.0337117517,-1.1811829683,0.0,-0.0495957187,GGA,P6_3mc,ABC_hP6_186_b_b_a:As-Pd-Sm,6.0,ABC_hP6_186_b_b_a:As-Pd-Sm +mp-570216,Sm(AsPd)2,-5.708161686,-0.828844373,0.0398316571,0.0398316571,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Pd-Sm,5.0,A2B2C_tI10_139_e_d_a:As-Pd-Sm +mp-1208854,SmAs2Pd3,-5.7443762756000005,-0.8149648797,0.0,-0.0377904764,GGA,C2/m,A2B3C_mC36_12_3i_a4i_di:As-Pd-Sm,18.0,A2B3C_mC36_12_3i_a4i_ci:As-Pd-Sm +mp-972722,SmAs3,-5.1979040125,-0.523918675,0.23591351,0.23591351,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Sm,4.0,A3B_tI8_139_ad_b:As-Sm +mp-978502,SmAs3,-5.19902768,-0.5250423425,0.2347898425,0.2347898425,GGA,Pm-3m,A3B_cP4_221_c_a:As-Sm,4.0,A3B_cP4_221_c_a:As-Sm +mp-1009814,SmAs,-5.7607118,-1.07185953,0.44780484,0.0400339419,GGA,P4/mmm,AB_tP2_123_a_d:As-Sm,2.0,AB_tP2_123_a_d:As-Sm +mp-1738,SmAs,-6.20851664,-1.51966437,0.0,-0.4077708981,GGA,Fm-3m,AB_cF8_225_a_b:As-Sm,2.0,AB_cF8_225_a_b:As-Sm +mp-1105955,Er3Cu3Sb4,-5.020709246,-0.769031106,0.0,-0.0281643165,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Er-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Er-Sb +mp-1079261,ErCuSb2,-4.9013509588,-0.6701189688,0.0,-0.0292597137,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Er-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Er-Sb +mp-1207353,Er2CuSb3,-1.8994963067,2.3707783617,3.2115403425,3.2115403425,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Er-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Er-Sb +mp-862374,CdInPd2,-3.981800385,-0.4732161075,0.0,-0.02044941,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-In-Pd +mp-20654,Gd2InPd2,-9.104700493,-0.8519621270000001,0.0,-0.0130726447,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Gd-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Gd-In-Pd +mp-624070,GdInPd2,-7.5808168675,-0.78392447,0.0,-0.0067166083,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-In-Pd,4.0,ABC2_cF16_225_a_b_c:Gd-In-Pd +mp-20224,GdInPd,-8.1460877622,-0.8101918356000001,0.0,-0.0702548933,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-In-Pd,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Gd-In-Pd, expected Gd3In3Pd5 to be GdInPd" +mp-1078674,PrHgPd,-4.1017019189,-0.6802126089,0.0,-0.0632704143,GGA,P-62m,ABC_hP9_189_f_bc_g:Hg-Pd-Pr,9.0,ABC_hP9_189_f_bc_g:Hg-Pd-Pr +mp-1222276,LiHoSe2,-5.2131835075,-1.8423948345,0.0859671725,0.0405539106,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ho-Li-Se,4.0,ABC2_tP4_123_a_d_bc:Ho-Li-Se +mp-33322,LiHoSe2,-5.2823910462,-1.9116023733,0.0167596337,-0.0286536281,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ho-Li-Se,8.0,ABC2_tI16_141_a_b_e:Ho-Li-Se +mp-15796,LiHoSe2,-5.29915068,-1.928362007,0.0,-0.0454132619,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Li-Se,4.0,ABC2_hR12_166_a_b_c:Ho-Li-Se +mp-864599,TbSnAu2,-4.49688508,-0.6989595913000001,0.0,-0.0165627229,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sn-Tb,4.0,A2BC_cF16_225_c_a_b:Au-Sn-Tb +mp-1079634,Tb2SnAu2,-4.806790938,-0.8415773270000001,0.004587913,0.004587913,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Sn-Tb,10.0,A2BC2_tP10_127_g_a_h:Au-Sn-Tb +mp-31413,TbSnAu,-4.7996163967,-0.827009745,0.0,-0.09218924,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Sn-Tb,6.0,ABC_hP6_186_b_b_a:Au-Sn-Tb +mp-1096009,Na2TlPb,-1.1977330475,0.9823521534,1.1271703792,1.1271703792,GGA,Immm,A2BC_oI8_71_e_a_b:Na-Pb-Tl,4.0,A2BC_oI8_71_e_a_b:Na-Pb-Tl +mp-977162,NaTl2Pb,-2.515613205,-0.0754985408,0.0209596642,0.0209596642,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pb-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Pb-Tl +mp-1093865,Sc2IrOs,-5.603852075,2.57883288,3.2961633314,3.2961633314,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Os-Sc,4.0,ABC2_oI8_71_a_b_e:Ir-Os-Sc +mp-1186954,Sc2IrOs,-8.89650945,-0.713824495,0.0035059564,0.0035059564,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Os-Sc +mp-1093671,NaLi2Hg,-0.70170085,0.6593119979000001,0.8964171854,0.8964171854,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Na,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Na +mp-1096338,NaLiHg2,-0.5205133975,0.439188825,0.7496563144,0.7496563144,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Na,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Na +mp-1079448,PrCdGa,-3.4257560044,-0.5151254919,0.0022033839,0.0022033839,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Ga-Pr,9.0,ABC_hP9_189_f_bc_g:Cd-Ga-Pr +mp-1093631,BaHg2Bi,-0.8618437,0.7298625,1.22369022,1.22369022,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Bi-Hg,4.0,ABC2_oI8_71_a_b_e:Ba-Bi-Hg +mp-1183299,BaHg2Bi,-2.0833629325,-0.4916567325,0.0021709875,0.0021709875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Bi-Hg,4.0,ABC2_cF16_225_a_b_c:Ba-Bi-Hg +mp-20739,DyGePt,-6.23174045,-1.131424445,0.0,-0.1277236496,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Pt,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Pt +mp-641314,Dy2(GePt3)3,-6.3287252818,-0.7770926300000001,0.0,-0.0006960225,GGA,C2/c,A2B3C9_mC56_15_f_cf_e4f:Dy-Ge-Pt,28.0,"Invalid WP multiplicities - A2B3C9_mC56_15_f_cf_2e14f:Dy-Ge-Pt, expected Dy2(GePt10)3 to be Dy2(GePt3)3" +mp-645630,Dy3(Ge3Pt2)2,-5.931119059,-0.8662682183,0.0037222063,0.0037222063,GGA,Pnma,A3B6C4_oP52_62_3c_6c_4c:Dy-Ge-Pt,52.0,"Invalid WP multiplicities - A3B6C4_oP52_62_11c_22c_11c:Dy-Ge-Pt, expected DyGe2Pt to be Dy3(Ge3Pt2)2" +mp-1205994,Dy2Ge6Pt,-5.3139346022,-0.5336152544,0.0610705711,0.0610705711,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Dy-Ge-Pt,9.0,A2B6C_oC18_38_2a_2a4b_b:Dy-Ge-Pt +mp-616492,DyGe2Pt,-5.8455807875,-0.86458682,0.0,-0.0160184863,GGA,Immm,AB2C_oI32_71_eg_efn_n:Dy-Ge-Pt,16.0,"Invalid WP multiplicities - AB2C_oI32_71_2eg_e2f2n_n:Dy-Ge-Pt, expected Dy3Ge7Pt2 to be DyGe2Pt" +mp-1079316,Dy(GePt)2,-6.06016237,-0.8611405320000001,0.005129682,0.005129682,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Dy-Ge-Pt,10.0,AB2C2_tP10_129_c_ac_bc:Dy-Ge-Pt +mp-20137,Dy(GePt)2,-5.992561718,-0.79353988,0.072730334,0.072730334,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Pt,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Pt +mp-1097118,Sc2AlGa,-2.6628089175,2.1968435981,2.7376719128,2.7376719128,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ga-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Ga-Sc +mp-865007,Dy2MgIn,-3.70501979,-0.313635425,0.0,-0.018742746,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-In-Mg,4.0,A2BC_cF16_225_c_a_b:Dy-In-Mg +mp-20573,DyMgIn,-3.3715602789,-0.3853100722,0.0,-0.0771376378,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-In-Mg,9.0,ABC_hP9_189_f_ad_g:Dy-In-Mg +mp-1209825,NdMgAg,-3.32811247,-0.2611179747,0.0,-0.0281508933,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Nd,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Nd +mp-644504,NdMg2Ag,-2.8194961925,-0.1191803085,0.0948070833,0.0948070833,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Nd +mp-866074,NdMgAg2,-3.3033947675,-0.2950098952,0.0,-0.0295436362,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Nd +mp-1184062,Dy2TlZn,-3.54222098,-0.3332308708,0.00588034,0.00588034,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Tl-Zn +mp-1018680,DyTlZn,-3.0489002917,-0.3058424261,0.02352392,0.02352392,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Dy-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Dy-Tl-Zn +mp-1097097,Hf2AlRe,-5.28575787,3.7403623988,4.1459721012,4.1459721012,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Hf-Re,4.0,AB2C_oI8_71_a_e_b:Al-Hf-Re +mp-1248522,Hf2AlRe,-5.28905802,3.7370622488,4.1426719512,4.1426719512,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Hf-Re,4.0,AB2C_oI8_71_a_e_b:Al-Hf-Re +mp-1096573,Sc2ZnCo,-3.135521465,2.1227284388,2.49882702,2.49882702,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Co-Sc-Zn +mp-1903,BaAl4,-3.621437192,-0.24118154,0.0,-0.0998177139,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Ba,5.0,A4B_tI10_139_de_a:Al-Ba +mp-1952,Ba7Al13,-3.323717007,-0.2174514885,0.0248105197,0.0248105197,GGA,P-3m1,A13B7_hP20_164_2dei_bc2d:Al-Ba,20.0,"Invalid WP multiplicities - A13B7_hP20_164_2de2i_bc2d:Al-Ba, expected Ba7Al19 to be Ba7Al13" +mp-1190157,Ba3(AlPt)4,-4.9559329518,-0.8628637318,0.0,-0.078652193,GGA,Cmcm,A4B3C4_oC44_63_fg_ce_fg:Al-Ba-Pt,22.0,A4B3C4_oC44_63_fg_ce_fg:Al-Ba-Pt +mp-1214528,Ba4Al,-1.980877412,0.303417706,0.3832677394,0.3832677394,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Ba,10.0,AB4_cF40_227_a_e:Al-Ba +mp-567701,Ba21Al40,-3.3600771915,-0.2433311761,0.0,-0.0092541434,GGA,P31m,A40B21_hP61_157_3a2b5c3d_2a2b5c:Al-Ba,61.0,"Invalid WP multiplicities - A40B21_hP61_157_3a4b14c17d_2a4b14c:Al-Ba, expected Ba52Al155 to be Ba21Al40" +mp-570400,Ba7Al10,-3.2241987829,-0.2307527312,0.0,-0.0019253866,GGA,R-3m,A10B7_hR51_166_2ch_a3c:Al-Ba,17.0,A10B7_hR51_166_2ch_a3c:Al-Ba +mp-1079984,BaAl,-2.954166995,-0.12189161,0.0777334735,0.0777334735,GGA,Pnma,AB_oP8_62_c_c:Al-Ba,8.0,AB_oP8_62_c_c:Al-Ba +mp-2631,Ba4Al5,-3.1555588606,-0.2218056483,0.0,-0.0038725133,GGA,P6_3/mmc,A5B4_hP18_194_fh_ef:Al-Ba,18.0,A5B4_hP18_194_fh_ef:Al-Ba +mp-261,Ba3Al5,-3.2908068619,-0.2302063656,0.0073971257,0.0073971257,GGA,P6_3/mmc,A5B3_hP16_194_fh_af:Al-Ba,16.0,A5B3_hP16_194_fh_af:Al-Ba +mp-551,BaAl2,-3.335556585,-0.1988477183,0.0443206065,0.0443206065,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Ba,6.0,A2B_cF24_227_c_b:Al-Ba +mp-672259,AlFe2Mo,-8.0588488275,-0.1760317375,0.0379300246,0.0379300246,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Mo,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Mo +mp-1183054,Ac2GaSi,-4.5182514775,-0.3443104606,0.0,-0.0707316846,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ga-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Ga-Si +mp-1217251,Ti20(Sb3Se)3,-7.0607301859,-0.6370243757,0.0642716741,0.0642716741,GGA,Pm,A9B3C20_mP32_6_a4c_a2b_6a6b4c:Sb-Se-Ti,32.0,"Invalid WP multiplicities - A9B3C20_mP32_6_a8c_a2b_6a6b8c:Sb-Se-Ti, expected Ti28Sb17Se3 to be Ti20(Sb3Se)3" +mp-530251,Ti20(Sb3Se)3,-7.0621777905,-0.6384719803000001,0.0628240696,0.0628240696,GGA,Pmn2_1,A9B3C20_oP64_31_a4b_ab_6a7b:Sb-Se-Ti,64.0,"Invalid WP multiplicities - A9B3C20_oP64_31_a11b_ab_12a16b:Sb-Se-Ti, expected Ti44Sb23Se3 to be Ti20(Sb3Se)3" +mp-866188,TlCdRh2,-4.5425867725,-0.0390496108,0.0,-0.0390496108,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Tl +mp-631571,Bi2OsAu,-4.8662264625,0.67933046,0.7032527069000001,0.7032527069000001,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Bi-Os,4.0,AB2C_cF16_225_a_c_b:Au-Bi-Os +mp-862924,PmInPd2,-5.2142131375,-0.7487157194,0.0,-0.0525563058,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:In-Pd-Pm +mp-12612,Ba3Ag2,-2.5133974333,-0.228990068,0.0,-0.0040407383,GGA,R-3,A2B3_hR45_148_f_acf:Ag-Ba,15.0,A2B3_hR45_148_f_acf:Ag-Ba +mp-1814,BaAg5,-2.8439466917000003,-0.1636541989,0.0,-0.0160972167,GGA,P6/mmm,A5B_hP6_191_cg_a:Ag-Ba,6.0,A5B_hP6_191_cg_a:Ag-Ba +mp-1093949,Ba2TlAg,-1.167872005,1.0904152525,1.3801506658,1.3801506658,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ba-Tl,4.0,AB2C_oI8_71_a_e_b:Ag-Ba-Tl +mp-11840,BaAg,-2.6569521337,-0.2811866621,0.0,-0.0274001329,GGA,Pnma,AB_oP8_62_c_c:Ag-Ba,8.0,AB_oP8_62_c_c:Ag-Ba +mp-1077322,BaAg2,-2.8199697333,-0.2919407511,0.0031732133,-0.0695203206,GGA,Imma,A2B_oI12_74_h_e:Ag-Ba,6.0,A2B_oI12_74_h_e:Ag-Ba +mp-1241,BaAg2,-2.8231429467,-0.2951139644,0.0,-0.072693534,GGA,P6/mmm,A2B_hP3_191_c_b:Ag-Ba,3.0,A2B_hP3_191_c_b:Ag-Ba +mp-865905,YbPmRh2,-5.9305124475,-0.6758208619,0.0,-0.2334543431,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Yb,,AB2C_cF16_225_a_c_b:Pm-Rh-Yb +mp-505297,NbSbRu,-8.3161333633,-0.4812304233,0.0,-0.1825631553,GGA,F-43m,ABC_cF12_216_a_c_b:Nb-Ru-Sb,3.0,ABC_cF12_216_a_c_b:Nb-Ru-Sb +mp-862830,PaTlAu2,-4.8693442375,-0.2630762858,0.0,-0.0050151692,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pa-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Pa-Tl +mp-973792,Pa3Tl,-7.5516197125,0.1750395692,0.1750395692,0.1750395692,GGA,I4/mmm,A3B_tI8_139_ad_b:Pa-Tl,4.0,A3B_tI8_139_ad_b:Pa-Tl +mp-862896,PmCdRh2,-5.5703907575,-0.4698788019,0.0,-0.1236308458,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Pm-Rh +mp-1206439,Th2BiTe2,-4.959921846,0.0310416373,1.2170982819,1.2170982819,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Bi-Te-Th,5.0,AB2C2_tP5_123_a_g_g:Bi-Te-Th +mp-1187471,ThBi3,-5.1065208375,-0.3726894275,0.0435133275,0.0435133275,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Th,4.0,A3B_cP4_221_c_a:Bi-Th +mp-1019362,ThBiTe,-5.8594194217,-1.0602016639,0.0,-0.0387633128,GGA,P4/nmm,ABC_tP6_129_a_c_c:Bi-Te-Th,6.0,ABC_tP6_129_a_c_c:Bi-Te-Th +mp-23270,Th3Bi4,-6.0225530836,-0.650620045,0.0,-0.093531065,GGA,I-43d,A4B3_cI28_220_c_a:Bi-Th,14.0,A4B3_cI28_220_c_a:Bi-Th +mp-571335,ThBi2,-5.5865491767,-0.5549370067,0.0,-0.0488991939,GGA,P4/nmm,A2B_tP6_129_ac_c:Bi-Th,6.0,"Invalid WP multiplicities - A2B_tP6_129_2ac_c:Bi-Th, expected ThBi3 to be ThBi2" +mp-30468,ThBi,-6.18587665,-0.55870296,0.012411177,0.012411177,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Th,2.0,AB_cP2_221_a_b:Bi-Th +mp-1207320,Th2Bi3,-2.53150497,2.738331808,3.3602469415,3.3602469415,GGA,P4/mmm,A3B2_tP5_123_ag_g:Bi-Th,5.0,A3B2_tP5_123_ag_g:Bi-Th +mp-865224,Th2BiTe,-6.4125449075,-0.9596670267,0.0,-0.0184358165,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Te-Th,4.0,ABC2_cF16_225_a_b_c:Bi-Te-Th +mp-1106314,Th5Bi3,-6.5058236281,-0.4319787981,0.0,-0.0050093936,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Th,16.0,A3B5_hP16_193_g_dg:Bi-Th +mp-510595,Er5CoSb2,-5.5237205787,-0.7481062881,0.0,-0.0413863018,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Co-Er-Sb,32.0,AB5C2_oP32_62_c_3cd_d:Co-Er-Sb +mp-972061,YbTlHg2,-1.51953726,-0.3921342208,0.0,-0.0030503275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tl-Yb,,A2BC_cF16_225_c_a_b:Hg-Tl-Yb +mp-1187917,Yb2TlHg,-1.99991198,-0.5635269621,0.0,-0.0014629425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Tl-Yb,,ABC2_cF16_225_a_b_c:Hg-Tl-Yb +mp-20082,Yb(As2Rh3)2,-6.5405743836,-0.6894899182,0.0,-0.0349502571,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:As-Rh-Yb,,"Invalid WP multiplicities - A4B6C_hP11_187_a2k_3j2k_c:As-Rh-Yb, expected YbAs7Rh15 to be Yb(As2Rh3)2" +mp-22062,Yb4As6Rh7,-5.9945045524000005,-0.9554869853,0.0,-0.1491365462,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:As-Rh-Yb,,"Invalid WP multiplicities - A6B7C4_cI34_229_e_a2d_c:As-Rh-Yb, expected Yb4As6Rh13 to be Yb4As6Rh7" +mp-862316,LiBePt2,-5.131718215,-0.6840676221,0.0,-0.196981144,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Li-Pt,4.0,ABC2_cF16_225_a_b_c:Be-Li-Pt +mp-1096209,LiBe2Pt,-2.095535075,1.7691854042,2.278660795,2.2757860787,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Li-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Li-Pt +mp-1185317,LiBe2Pt,-4.37419587,-0.5094753908,0.0,-0.0028747163,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Li-Pt +mp-1093573,Zr2ReIr,-6.11924607,3.4753445863,4.0886287297,4.0886287297,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Re-Zr,4.0,ABC2_oI8_71_a_b_e:Ir-Re-Zr +mp-1093933,Zr2FeTc,-5.5881344075,3.3933809462,3.67228331,3.6184004686,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Fe-Tc-Zr +mp-1187984,Zr2FeTc,-9.2604177175,-0.2789023637,0.0,-0.0538828414,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Fe-Tc-Zr +mp-972411,Tb3Yb,-3.761085795,0.09959085,0.09959085,0.09959085,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Yb,,A3B_tI8_139_ad_b:Tb-Yb +mp-865254,TbYbHg2,-2.2667691775,-0.5714353999999999,0.0,-0.009662685,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tb-Yb,,A2BC_cF16_225_c_a_b:Hg-Tb-Yb +mp-1187393,TbYb3,-2.1953686987,0.1179290363,0.1179290363,0.1179290363,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tb-Yb,,AB3_hP8_194_c_h:Tb-Yb +mp-541487,TlPt2Se3,-4.8431467917,-0.6777060884,0.0,-0.102866338,GGA,P-3m1,A2B3C_hP12_164_ae_i_d:Pt-Se-Tl,12.0,A2B3C_hP12_164_ae_i_d:Pt-Se-Tl +mp-1214775,AuBr2,-2.5203232067,-0.3936769867,0.1679263229,0.1679263229,GGA,P4_2/mmc,AB2_tP6_131_e_i:Au-Br,6.0,AB2_tP6_131_e_i:Au-Br +mp-984614,Au3Br,-2.64288218,0.2007864025,0.4232615006,0.4232615006,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Br,4.0,A3B_tI8_139_ad_b:Au-Br +mp-1183348,Au3Br,-2.6936592475000003,0.150009335,0.3724844331,0.3724844331,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Br,8.0,A3B_hP8_194_h_c:Au-Br +mp-505366,AuBr,-2.8584053612,-0.4449501962,0.0,-0.0316636187,GGA,P4_2/ncm,AB_tP8_138_c_e:Au-Br,8.0,AB_tP8_138_c_e:Au-Br +mp-570140,AuBr,-2.8473972425,-0.4339420775,0.0110081187,-0.0206555,GGA,I4_1/amd,AB_tI16_141_c_e:Au-Br,8.0,AB_tI16_141_c_e:Au-Br +mp-27199,AuSeBr,-3.2931083113,-0.5188343754,0.0,-0.0327112105,GGA,Pnma,ABC_oP24_62_2c_d_d:Au-Br-Se,24.0,ABC_oP24_62_2c_d_d:Au-Br-Se +mp-27213,AuBr3,-2.6031716138,-0.6199298663,0.0,-0.3246721263,GGA,P2_1/c,AB3_mP32_14_2e_6e:Au-Br,32.0,AB3_mP32_14_2e_6e:Au-Br +mp-1206185,PuGa5Co,-5.39704647,-0.1803841504,0.1559955668,0.1559955668,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Pu,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Pu +mp-1183820,DyHoHg2,-2.92815893,-0.47901982,0.00715705,0.00715705,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Ho,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Ho +mp-1096053,NaSrTl2,-0.88522782,1.04909844,1.3256866242,1.3256866242,GGA,Immm,ABC2_oI8_71_a_b_e:Na-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:Na-Sr-Tl +mp-1186171,NaSrTl2,-2.19423178,-0.25990552,0.0166826642,0.0166826642,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Sr-Tl +mp-865128,NaSr2Tl,-1.97607142,-0.2100325833,0.0052022342,0.0052022342,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Na-Sr-Tl +mp-641743,Yb11(Sm2Se11)2,-4.8362534732,-1.7897646049,0.2107916342,0.2107916342,GGA,C2/m,A22B4C11_mC74_12_11i_2i_a5i:Se-Sm-Yb,,"Invalid WP multiplicities - A22B4C11_mC74_12_19i_4i_a9i:Se-Sm-Yb, expected Yb19(Sm4Se19)2 to be Yb11(Sm2Se11)2" +mp-11788,YbSmSe3,-5.256558892,-1.9073731224,0.1684170767,0.1684170767,GGA,Cmcm,A3BC_oC20_63_cf_c_a:Se-Sm-Yb,,A3BC_oC20_63_cf_c_a:Se-Sm-Yb +mp-1226008,CoAsSe,-5.56541225,-0.4776296908,0.0556668071,-0.0086264083,GGA,P2/m,ABC_mP6_10_m_ce_n:As-Co-Se,6.0,ABC_mP6_10_m_ae_n:As-Co-Se +mp-505511,CoAsSe,-5.6210790571,-0.5332964979,0.0,-0.0642932154,GGA,Pbca,ABC_oP24_61_c_c_c:As-Co-Se,24.0,ABC_oP24_61_c_c_c:As-Co-Se +mp-1226036,CoAsSe,-5.6081884025,-0.5204058433000001,0.0128906546,-0.0514025608,GGA,P2_13,ABC_cP12_198_a_a_a:As-Co-Se,12.0,ABC_cP12_198_a_a_a:As-Co-Se +mp-10846,NiAsSe,-5.0924480267,-0.4473925058,0.0,-0.0278701317,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ni-Se,12.0,ABC_cP12_198_a_a_a:As-Ni-Se +mp-11342,GaSe,-4.08939907,-0.8273953199,0.0,-0.1039394788,GGA,R3m,AB_hR12_160_2a_2a:Ga-Se,4.0,AB_hR12_160_2a_2a:Ga-Se +mp-568263,GaSe,-4.0891335087,-0.8271297587,0.0002655612,-0.1036739175,GGA,P6_3mc,AB_hP16_186_2a2b_2a2b:Ga-Se,16.0,"Invalid WP multiplicities - AB_hP16_186_3a3b_4a4b:Ga-Se, expected Ga3Se4 to be GaSe" +mp-1572,GaSe,-4.089180095,-0.8271763449,0.000218975,-0.1037205038,GGA,P-6m2,AB_hP8_187_gh_gi:Ga-Se,8.0,AB_hP8_187_gh_gi:Ga-Se +mp-1943,GaSe,-4.0890192287,-0.8270154787,0.0003798413,-0.1035596375,GGA,P6_3/mmc,AB_hP8_194_f_f:Ga-Se,8.0,AB_hP8_194_f_f:Ga-Se +mp-568128,GaSe,-3.6899118375,-0.4279080874,0.3994872325,0.2955477537,GGA,P6_3/mmc,AB_hP8_194_f_f:Ga-Se,8.0,AB_hP8_194_f_f:Ga-Se +mp-1104392,Eu(GaSe2)2,-5.6255579243,-1.2974379592,0.0059881661,-0.0262554464,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Eu-Ga-Se,14.0,AB2C4_oC28_66_a_l_kl:Eu-Ga-Se +mp-1201775,Eu(GaSe2)2,-5.6315460904,-1.3034261253,0.0,-0.0322436125,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Eu-Ga-Se,56.0,AB2C4_oF224_70_abe_2h_4h:Eu-Ga-Se +mp-680721,GaSe2,-3.8349997593,-0.4950267667,0.2284290745,0.2284290745,GGA,I-43m,AB2_cI144_217_h_fgh:Ga-Se,72.0,"Invalid WP multiplicities - AB2_cI144_217_h_9f10g14h:Ga-Se, expected Ga2Se47 to be GaSe2" +mp-1184214,Ga3Se,-3.31320376,-0.1681538737,0.2455437863,0.2455437863,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Se,4.0,A3B_cP4_221_c_a:Ga-Se +mp-1340,Ga2Se3,-4.176932305,-0.8681470094,0.0,-0.2062307535,GGA,Cc,A2B3_mC20_9_2a_3a:Ga-Se,10.0,A2B3_mC20_9_2a_3a:Ga-Se +mp-672302,Ga2Se3,-3.743085952,-0.4343006564,0.433846353,0.2276155995,GGA,Cc,A2B3_mC20_9_2a_3a:Ga-Se,10.0,"Invalid WP multiplicities - A2B3_mC20_9_2a_5a:Ga-Se, expected Ga2Se5 to be Ga2Se3" +mp-1224809,Ga2Se3,-4.166301304,-0.8575160084000001,0.010631001,-0.1955997525,GGA,Imm2,A2B3_oI10_44_c_ac:Ga-Se,5.0,A2B3_oI10_44_c_ac:Ga-Se +mp-1215611,Yb8Al3Ga,-1.8010990342,0.4140417785,0.6304832683,0.6304832683,GGA,R3m,A3BC8_hR36_160_3a_a_2a2b:Al-Ga-Yb,,"Invalid WP multiplicities - A3BC8_hR36_160_3a_a_2a6b:Al-Ga-Yb, expected Yb20Al3Ga to be Yb8Al3Ga" +mp-1215843,Yb2Al3Ga,-3.2804930083,-0.3898196629,0.0210398392,0.0210398392,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Ga-Yb,,A3BC2_hR18_166_d_a_c:Al-Ga-Yb +mp-1077295,YbAlGa,-3.18975065,-0.4186572725,0.0595063117,0.0595063117,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Al-Ga-Yb,,ABC_hP6_194_c_d_a:Al-Ga-Yb +mp-573498,Yb(AlGa)2,-3.401524264,-0.384133867,0.0,-0.016470818,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Ga-Yb,,A2B2C_tI10_139_d_e_a:Al-Ga-Yb +mp-1226650,CeAl3Ag,-4.353065484,-0.3525909543,0.0,-0.0142167746,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ag-Al-Ce,5.0,AB3C_tI10_107_a_ab_a:Ag-Al-Ce +mp-1226637,CeAl2Ag3,-3.9177252833,-0.2640738125,0.0,-0.0319835342,GGA,Cmmm,A3B2C_oC12_65_ah_e_c:Ag-Al-Ce,6.0,A3B2C_oC12_65_ah_e_c:Ag-Al-Ce +mp-865968,CeAlAg2,-4.0416261525,-0.2056819046,0.0537629317,0.0537629317,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Ce,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Ce +mp-1222417,LuAlCo,-5.5555905133,-0.430642465,0.02253952,0.02253952,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Lu,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Lu, expected Lu3(AlCo)2 to be LuAlCo" +mp-1222339,Lu2AlCo3,-6.0660615033,-0.3806564608,0.0,-0.0051565112,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Co-Lu,6.0,AB3C2_hR18_166_a_d_c:Al-Co-Lu +mp-16490,Lu2Al3Co,-5.0699731875,-0.5054821333,0.0,-0.0348008179,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Co-Lu,12.0,A3BC2_hP12_194_h_a_f:Al-Co-Lu +mp-1185346,LiCeZn2,-2.77419099,-0.1838161796,0.0380646742,0.0380646742,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Li-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Li-Zn +mp-961705,TiPtPb,-5.9855824967,-0.0924916944,0.5209981017,0.5209981017,GGA,F-43m,ABC_cF12_216_a_b_c:Pb-Pt-Ti,3.0,ABC_cF12_216_a_b_c:Pb-Pt-Ti +mp-866184,Ti3Pb,-6.91025301,-0.06047223,0.0,-0.0297455277,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Ti,8.0,AB3_hP8_194_c_h:Pb-Ti +mp-1187843,TiPb3,-4.4647146288,0.2936436779,0.3138010879,0.3138010879,GGA,P-3m1,A3B_hP8_164_i_d:Pb-Ti,8.0,A3B_hP8_194_h_c:Pb-Ti +mp-1217515,Ti13Pb3,-7.1395801813,-0.0283715921,0.0169825804,0.0169825804,GGA,Pmm2,A3B13_oP16_25_abc_abc2d2e2f:Pb-Ti,16.0,"Invalid WP multiplicities - A3B13_oP16_25_abc_abc2d4e4f:Pb-Ti, expected Ti7Pb to be Ti13Pb3" +mp-1217869,Ti24Pb19,-6.0852145458,-0.0379563428,0.007046247,0.007046247,GGA,P2/m,A19B24_mP43_10_adf2m2n2o_bcegmn4o:Pb-Ti,43.0,"Invalid WP multiplicities - A19B24_mP43_10_ace4m3n8o_bdfg2m2n10o:Pb-Ti, expected Ti52Pb49 to be Ti24Pb19" +mp-631422,CuSiBr,-3.2192501333,0.4732675433,1.0517419655,1.0517419655,GGA,F-43m,ABC_cF12_216_a_c_b:Br-Cu-Si,3.0,ABC_cF12_216_a_c_b:Br-Cu-Si +mp-631504,BaSiTc2,-6.01408617,1.002306545,1.2465010181,1.2465010181,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ba-Si-Tc,4.0,ABC2_cF16_216_a_c_bd:Ba-Si-Tc +mp-1185518,LuNpRu2,-9.299782005,-0.2953981847,0.0063897703,0.0063897703,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Np-Ru,4.0,ABC2_cF16_225_a_b_c:Lu-Np-Ru +mp-1185482,Lu3Np,-6.2626070875,0.3650507228,0.3650507228,0.3650507228,GGA,Pm-3m,A3B_cP4_221_c_a:Lu-Np,4.0,A3B_cP4_221_c_a:Lu-Np +mp-631563,TlCoAs2,-4.1062011725,0.5910982654,0.8354406267000001,0.8354406267000001,GGA,Fm-3m,A2BC_cF16_225_c_a_b:As-Co-Tl,4.0,A2BC_cF16_225_c_a_b:As-Co-Tl +mp-1187078,SmGdAg2,-6.4122184375,-0.2972633421,0.0,-0.0043646725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Gd-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Gd-Sm +mp-862978,Er2AgRu,-5.7068811675,-0.3962821267,0.0,-0.0322857344,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Ru +mp-1220391,Nb6PdPt,-9.2434121125,-0.2610564413,0.0167365288,0.0167365288,GGA,Pm-3,A6BC_cP8_200_f_a_b:Nb-Pd-Pt,8.0,A6BC_cP8_200_f_a_b:Nb-Pd-Pt +mp-1183596,CaLuPd2,-5.0296371975,-0.8080586925000001,0.0421784624,0.0421784624,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-Lu-Pd +mp-1184630,Ho2InOs,-6.0427282575,-0.2567610325,0.1143966619,0.1143966619,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-In-Os,4.0,A2BC_cF16_225_c_a_b:Ho-In-Os +mp-1206336,La2AgBi3,-1.9335648083,2.1041081256,2.8381313022,2.8381313022,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-Bi-La,6.0,AB3C2_tP6_123_a_bg_g:Ag-Bi-La +mp-1097175,Nb2MoRh,-5.74359051,3.859551505,4.0973598175,4.0973598175,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Rh,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Rh +mp-1221484,Mo2Rh,-9.7412139033,-0.0560112067,0.0699764717,0.0699764717,GGA,Fmmm,A2B_oF12_69_g_a:Mo-Rh,3.0,A2B_oF12_69_g_a:Mo-Rh +mp-1221397,MoRh3,-8.3160621675,-0.0814187375,0.15361875,0.0130720213,GGA,P-6m2,AB3_hP4_187_a_bh:Mo-Rh,4.0,AB3_hP4_187_a_bh:Mo-Rh +mp-30787,MoRh3,-8.4696809175,-0.2350374875,0.0,-0.1405467287,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mo-Rh,8.0,AB3_hP8_194_c_h:Mo-Rh +mp-12595,MoRh,-9.2939605075,-0.1889815175,0.0,-0.0322898592,GGA,Pmma,AB_oP4_51_e_f:Mo-Rh,4.0,AB_oP4_51_e_f:Mo-Rh +mp-1221419,MoRh,-9.1935266,-0.08854761,0.1004339075,0.0681440483,GGA,P-6m2,AB_hP2_187_a_d:Mo-Rh,2.0,AB_hP2_187_a_d:Mo-Rh +mp-1096701,Ga2CoIr,-3.3907680925,2.1099679125,2.478631175,2.478631175,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Ga-Ir,4.0,AB2C_oI8_71_a_e_b:Co-Ga-Ir +mp-1184229,Ga2CoIr,-5.8338772225,-0.3331412175,0.035522045,0.035522045,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ga-Ir,4.0,AB2C_cF16_225_a_c_b:Co-Ga-Ir +mp-1096176,ZrHgAu2,-2.4869957475,1.3627905013,1.7940555438,1.7940555438,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hg-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Hg-Zr +mp-1096259,Zr2HgAu,-2.7265411850000003,2.4416997213,2.7745744725,2.7745744725,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-Zr,4.0,ABC2_oI8_71_a_b_e:Au-Hg-Zr +mp-21487,EuIn2Rh,-6.3295671438,-0.5483978613,0.0,-0.050584285,GGA,Cmcm,AB2C_oC16_63_c_f_c:Eu-In-Rh,8.0,AB2C_oC16_63_c_f_c:Eu-In-Rh +mp-1101788,EuInRh,-7.3645054967,-0.5735076967,0.0,-0.0723514934,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-In-Rh,12.0,ABC_oP12_62_c_c_c:Eu-In-Rh +mp-21952,Eu(In4Rh)2,-4.6253676639,-0.3527233566,0.0,-0.0132735611,GGA,Pbam,AB8C2_oP44_55_g_ad2g5h_2g:Eu-In-Rh,44.0,"Invalid WP multiplicities - AB8C2_oP44_55_g_ad2g5h_3g:Eu-In-Rh, expected EuIn8Rh3 to be Eu(In4Rh)2" +mp-631344,NaOsSe2,-4.16581733,0.7196115897,1.4536316673,1.4536316673,GGA,F-43m,ABC2_cF16_216_a_c_bd:Na-Os-Se,4.0,ABC2_cF16_216_a_c_bd:Na-Os-Se +mp-1188702,Na3Os,-2.6206141425,1.1781216851,1.1781216851,1.1781216851,GGA,P4_2/mnm,A3B_tP16_136_fi_g:Na-Os,16.0,A3B_tP16_136_fi_g:Na-Os +mp-1186071,Na3Os,-2.6678259338,1.1309098938,1.1309098938,1.1309098938,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Os,8.0,A3B_hP8_194_h_c:Na-Os +mp-1186064,Na3Os,-2.669676195,1.1290596326,1.1290596326,1.1290596326,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Os,4.0,A3B_cF16_225_ac_b:Na-Os +mp-864910,MgZrRh2,-7.0130452725,-0.7938961675,0.0,-0.1374761016,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Zr +mp-22636,TaNiGe,-7.8477857542,-0.4274716992,0.0,-0.0705834014,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Ta,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Ta +mp-582719,Ta6Ni16Ge7,-7.1282618593,-0.3699843543,0.0015360016,0.0015360016,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Ge-Ni-Ta,29.0,"Invalid WP multiplicities - A7B16C6_cF116_225_a2d_10f_e:Ge-Ni-Ta, expected Ta6Ni80Ge13 to be Ta6Ni16Ge7" +mp-1218029,Ta2Ni3Ge,-7.9406394558,-0.32747393,0.0558185789,0.0558185789,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Ge-Ni-Ta,12.0,AB3C2_hP12_194_a_h_f:Ge-Ni-Ta +mp-976943,NaRe3,-8.8557426825,0.8082840296,0.8082840296,0.8082840296,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Re,4.0,AB3_cF16_225_a_bc:Na-Re +mp-1196650,Na2(ReSe2)3,-6.4008109307,-0.8595290209,0.0,-0.0400536858,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Na-Re-Se,44.0,A2B3C6_mC88_15_2ef_3f_6f:Na-Re-Se +mp-984106,Na3Re,-2.8030475325,1.2999782338,1.2999782338,1.2999782338,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Re,8.0,A3B_hP8_194_h_c:Na-Re +mp-982595,Na3Re,-2.801257295,1.3017684713,1.3017684713,1.3017684713,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Re,4.0,A3B_cF16_225_ac_b:Na-Re +mp-27369,RbGeCl3,-3.921218277,-1.6913838955,0.0,-0.0832919635,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:Cl-Ge-Rb,10.0,A3BC_mP10_11_ef_e_e:Cl-Ge-Rb +mp-1120729,RbGeCl3,-3.913733276,-1.6838988945,0.007485001,-0.0758069625,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:Cl-Ge-Rb,20.0,"Invalid WP multiplicities - A3BC_oP20_33_6a_a_a:Cl-Ge-Rb, expected RbGeCl6 to be RbGeCl3" +mp-1206221,Dy2Ge6Pd,-5.1877793189,-0.5064879167,0.0685391089,0.0417655172,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Dy-Ge-Pd,9.0,A2B6C_oC18_38_2a_2a4b_b:Dy-Ge-Pd +mp-1202284,Dy2Ge6Pd,-5.2563184278,-0.5750270256000001,0.0,-0.0267735917,GGA,Cmce,A2B6C_oC72_64_g_4fg_f:Dy-Ge-Pd,36.0,A2B6C_oC72_64_g_4fg_f:Dy-Ge-Pd +mp-22180,Dy(GePd)2,-5.639451866,-0.796930632,0.0,-0.016953692,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Pd,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Pd +mp-1225581,DyGePd,-5.7109475217,-0.9077153533,0.0848024283,-0.0090959692,GGA,C2/m,ABC_mC12_12_i_i_i:Dy-Ge-Pd,6.0,ABC_mC12_12_i_i_i:Dy-Ge-Pd +mp-1190104,DyGePd,-5.789798565,-0.9865663967,0.005951385,-0.0879470125,GGA,Imm2,ABC_oI36_44_ab2c_3c_3c:Dy-Ge-Pd,18.0,ABC_oI36_44_ab2c_3c_3c:Dy-Ge-Pd +mp-1190638,DyGePd,-5.79574995,-0.9925177817,0.0,-0.0938983975,GGA,Pmmn,ABC_oP24_59_abe_2e_2e:Dy-Ge-Pd,24.0,ABC_oP24_59_abe_2e_2e:Dy-Ge-Pd +mp-1106158,DyGePd2,-5.8105042437000005,-0.913109665,0.0,-0.0299267735,GGA,Pnma,ABC2_oP16_62_c_c_d:Dy-Ge-Pd,16.0,ABC2_oP16_62_c_c_d:Dy-Ge-Pd +mp-1212976,DyGe2Pd,-5.5182950287,-0.7601139388,0.0,-0.0043637848,GGA,Immm,AB2C_oI32_71_eg_efn_n:Dy-Ge-Pd,16.0,AB2C_oI32_71_eg_efn_n:Dy-Ge-Pd +mp-1096404,ZrScIr2,-5.765809225,2.3734502987,3.3340319856,3.3340319856,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Ir-Sc-Zr +mp-1185060,LaLuMg2,-3.244110665,-0.0797312337,0.0140773063,0.0140773063,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Lu-Mg,4.0,ABC2_cF16_225_a_b_c:La-Lu-Mg +mp-974789,Rb3Sn,-1.7248591800000002,0.0129343381,0.1522592703,0.1522592703,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Sn,4.0,A3B_cF16_225_ac_b:Rb-Sn +mp-974959,Rb3Li,-1.0649574975,0.1476737735,0.1476737735,0.1476737735,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Rb,4.0,AB3_tI8_139_a_bd:Li-Rb +mp-974938,Rb3Li,-1.0674822775,0.1451489935,0.1451489935,0.1451489935,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Rb,4.0,AB3_cP4_221_a_c:Li-Rb +mp-974950,Rb3Li,-1.06911254,0.143518731,0.143518731,0.143518731,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Rb,4.0,AB3_cF16_225_a_bc:Li-Rb +mp-11054,RbSn,-2.7737028281,-0.2786498644,0.0,-0.1964907681,GGA,I4_1/acd,AB_tI64_142_ef_g:Rb-Sn,32.0,AB_tI64_142_ef_g:Rb-Sn +mp-867229,RbSn3,-3.3755510538,-0.1232386444,0.0160862878,0.0160862878,GGA,P6_3/mmc,AB3_hP8_194_c_h:Rb-Sn,8.0,AB3_hP8_194_c_h:Rb-Sn +mp-680436,Rb2LiSn4,-3.1354993645,-0.2914595885,0.0,-0.0391262405,GGA,P-1,AB2C4_aP56_2_4i_8i_16i:Li-Rb-Sn,56.0,"Invalid WP multiplicities - AB2C4_aP56_2_7i_15i_30i:Li-Rb-Sn, expected Rb15Li7Sn30 to be Rb2LiSn4" +mp-862666,DyGaRh2,-6.4085531225,-0.8176784719,0.0,-0.0354883,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Ga-Rh +mp-1213121,Dy2(Ga3Rh)3,-4.8925318193,-0.7097202841,0.0,-0.0897385137,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Rh,28.0,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Rh +mp-1104487,Dy3Ga8Rh3,-5.00312471,-0.707549545,0.0130628583,0.0130628583,GGA,Immm,A3B8C3_oI28_71_ag_2n_bf:Dy-Ga-Rh,14.0,A3B8C3_oI28_71_ag_2n_bf:Dy-Ga-Rh +mp-1187927,YbAlHg2,-1.837314455,-0.364178245,0.0234677533,0.0234677533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Hg-Yb,,AB2C_cF16_225_a_c_b:Al-Hg-Yb +mp-1097574,Ba2HgGe,-1.2755026625,0.9156618625,1.480290315,1.480290315,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Ge-Hg,4.0,A2BC_oI8_71_e_a_b:Ba-Ge-Hg +mp-685607,CsTaSe3,-5.909243042,-1.261060155,0.003170398,-0.124491089,GGA,Pnma,AB3C_oP20_62_c_cd_c:Cs-Se-Ta,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c4d_c:Cs-Se-Ta, expected CsTaSe11 to be CsTaSe3" +mp-1225880,CsTaSe3,-5.91241344,-1.264230553,0.0,-0.127661487,GGA,P6_3mc,AB3C_hP10_186_b_c_a:Cs-Se-Ta,10.0,AB3C_hP10_186_b_c_a:Cs-Se-Ta +mp-861636,Er2ZnOs,-5.73261264,-0.326975475,0.0145133148,0.0145133148,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Os-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Os-Zn +mp-1213073,Dy2(Al3Ir)3,-5.8260038161,-0.8660710525,0.0,-0.1806779011,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Ir,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Ir +mp-1210750,Li2ZnPb,-2.41726304,-0.2197039367,0.0390987471,0.0390987471,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pb-Zn,4.0,A2BC_cF16_216_ac_b_d:Li-Pb-Zn +mp-1216734,TiMoAs2,-7.5973181263,-0.5824733921,0.0177127448,0.0177127448,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Mo-Ti,8.0,A2BC_oP8_26_ab_a_b:As-Mo-Ti +mp-1217100,Ti3MoAs4,-7.3433978062,-0.6973228338,0.0628340193,0.0628340193,GGA,P-3m1,A4BC3_hP8_164_2d_a_bc:As-Mo-Ti,8.0,"Invalid WP multiplicities - A4BC3_hP8_164_4d_a_bc:As-Mo-Ti, expected Ti3MoAs8 to be Ti3MoAs4" +mp-866139,TiBe2Ir,-6.6150060625,-0.5618180808000001,0.0,-0.0433169054,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Ti,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Ti +mp-866154,TiBeIr2,-8.139548845,-0.8116055346000001,0.0,-0.1276110758,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ir-Ti,4.0,AB2C_cF16_225_a_c_b:Be-Ir-Ti +mp-13963,HfSiTe,-7.01200994,-0.8367389556,0.0,-0.0238634867,GGA,P4/nmm,ABC_tP6_129_c_a_c:Hf-Si-Te,6.0,ABC_tP6_129_c_a_c:Hf-Si-Te +mp-1212437,Hf2SiTe2,-6.06352493,0.2617366453,1.237187208,1.237187208,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Hf-Si-Te,5.0,A2BC2_tP5_123_g_a_g:Hf-Si-Te +mp-1212872,Er3(Si3Pd10)2,-6.0019365852,-0.8346020745,0.0,-0.0615312866,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Er-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:Er-Pd-Si +mp-3218,Er(SiPd)2,-6.086930322,-0.931306624,0.0,-0.1129119244,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Pd-Si +mp-1212897,Er2Si3Pd,-5.972739355,-0.8741937683000001,0.0,-0.0916502542,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Er-Pd-Si,24.0,A2BC3_hP24_194_bh_f_k:Er-Pd-Si +mp-3352,ErSiPd2,-6.0808385881,-0.9926384731,0.0,-0.0462797095,GGA,Pnma,AB2C_oP16_62_c_d_c:Er-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Er-Pd-Si +mp-1225473,ErSiPd,-6.0055296267,-0.9478900767,0.0636859579,-0.0231317029,GGA,C2/m,ABC_mC12_12_i_i_i:Er-Pd-Si,6.0,ABC_mC12_12_i_i_i:Er-Pd-Si +mp-17093,ErSiPd,-6.0692155846,-1.0115760346,0.0,-0.0868176608,GGA,Pmmn,ABC_oP24_59_abe_2e_2e:Er-Pd-Si,24.0,ABC_oP24_59_abe_2e_2e:Er-Pd-Si +mp-1194918,Bi4Ir,-4.8889348058,-0.0488566658,0.0,-0.0128311138,GGA,R-3m,A4B_hR135_166_2h2i_df:Bi-Ir,45.0,A4B_hR135_166_2h2i_df:Bi-Ir +mp-1225844,Cu(Bi4Ir)3,-4.8183517487,-0.0245780756,0.0212250485,0.0212250485,GGA,Pm,A12BC3_mP16_6_6a6b_a_a2b:Bi-Cu-Ir,16.0,A12BC3_mP16_6_6a6b_a_a2b:Bi-Cu-Ir +mp-1101783,Bi2Ir,-5.5665134,-0.0600425867,0.0,-0.0193286985,GGA,P2_1/c,A2B_mP12_14_2e_e:Bi-Ir,12.0,A2B_mP12_14_2e_e:Bi-Ir +mp-867280,Be2IrPt,-6.3067484025,-0.7096500950000001,0.0,-0.4020225092,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Pt +mp-977578,Zr2TcPd,-8.6829150925,-0.5239345888,0.0,-0.0598534641,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Pd-Tc-Zr +mp-22707,EuAgSb,-6.5453274633,-0.8058077822,0.0,-0.1190501384,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Eu-Sb,6.0,ABC_hP6_194_c_a_d:Ag-Eu-Sb +mp-1183942,Eu2AgSb,-7.643222975,-0.7743327642000001,0.0374661698,0.0374661698,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Sb,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Sb +mp-1078223,Eu(Ag2Sb)2,-4.6361027414,-0.3724986995,0.0,-0.0136085386,GGA,R-3m,A4BC2_hR21_166_2c_a_c:Ag-Eu-Sb,7.0,A4BC2_hR21_166_2c_a_c:Ag-Eu-Sb +mp-867162,LiTm2Rh,-5.0924293975,-0.5362040017,0.0,-0.0149298793,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Tm +mp-976259,LiTmRh2,-5.843294665,-0.5649511575,0.019983255,0.019983255,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Tm +mp-976155,HoLuRh2,-6.9180924275,-0.960098645,0.012171375,0.012171375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Rh +mp-30512,CeTlPd,-5.07243408,-0.5805627094,0.0,-0.0578296076,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Ce-Pd-Tl +mp-1095912,MgNbOs2,-4.981229665,3.5578503225,3.6627312567,3.6627312567,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Nb-Os,4.0,ABC2_oI8_71_a_b_e:Mg-Nb-Os +mp-1185902,MgNbOs2,-8.6163557325,-0.077275745,0.0276051892,0.0276051892,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Nb-Os,4.0,ABC2_cF16_225_a_b_c:Mg-Nb-Os +mp-1208463,Tb4CdIr,-5.2349115458,-0.5184468225000001,0.0,-0.0346257229,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Tb,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Tb +mp-1199952,Nd6InFe13,-7.1208183128,-0.04727611,0.0070939071,0.0070939071,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Nd,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Nd +mp-1202771,Yb3Ge13Ru4,-5.454497254,-0.3637073982,0.0438117141,0.0438117141,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Yb,,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Yb +mp-21366,Yb(GeRu)2,-6.456279036,-0.589385222,0.0,-0.0684622,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Yb,,A2B2C_tI10_139_e_d_a:Ge-Ru-Yb +mp-642651,Yb2Ge4Ru3,-6.0670850911,-0.5788033578,0.0,-0.0007801655,GGA,C2/c,A4B3C2_mC72_15_2e3f_3f_2f:Ge-Ru-Yb,,"Invalid WP multiplicities - A4B3C2_mC72_15_4e11f_8f_7f:Ge-Ru-Yb, expected Yb7Ge13Ru8 to be Yb2Ge4Ru3" +mp-30413,TbPbAu,-4.5607477333,-0.68711601,0.0,-0.0743226794,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Pb-Tb,3.0,ABC_cF12_216_c_a_b:Au-Pb-Tb +mp-601842,Fe9Co7,-7.9420423931,-0.0677664272,0.0,-0.0048516431,GGA,Pm-3m,A7B9_cP16_221_acd_bg:Co-Fe,16.0,"Invalid WP multiplicities - A7B9_cP16_221_a3c2d_bg:Co-Fe, expected Fe9Co16 to be Fe9Co7" +mp-18695,Fe15Co,-8.3959012063,-0.0109864597,0.0009856338,0.0009856338,GGA,Pm-3m,AB15_cP16_221_a_bcdg:Co-Fe,16.0,AB15_cP16_221_a_bcdg:Co-Fe +mp-1084832,Fe5Co3,-7.9706957413,-0.0113133119,0.0498270975,0.0498270975,GGA,Im-3m,A3B5_cI16_229_b_ac:Co-Fe,8.0,A3B5_cI16_229_b_ac:Co-Fe +mp-641526,Fe13Co3,-8.2468749731,-0.0321731534,0.0037431269,0.0037431269,GGA,P4/mmm,A3B13_tP16_123_abc_defr:Co-Fe,16.0,"Invalid WP multiplicities - A3B13_tP16_123_abc_d2e2f3r:Co-Fe, expected Fe11Co to be Fe13Co3" +mp-1224993,FeCoPt2,-7.0480391725,-0.1178877613,0.0488597721,0.0488597721,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Co-Fe-Pt,4.0,ABC2_tP4_123_a_b_h:Co-Fe-Pt +mp-1225018,FeCoPt2,-6.9326934975,-0.0025420863,0.1642054471,0.1642054471,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Fe-Pt,4.0,ABC2_hR12_160_a_a_2a:Co-Fe-Pt +mp-601820,Fe3Co,-8.17748373,-0.0478883738,0.0,-0.0067726292,GGA,P4/mmm,AB3_tP4_123_a_ce:Co-Fe,4.0,AB3_tP4_123_a_ce:Co-Fe +mp-1225083,FeCo3,-7.413825515,0.0349181337,0.0688799275,0.0688799275,GGA,P4/mmm,A3B_tP4_123_ah_b:Co-Fe,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Co-Fe, expected FeCo5 to be FeCo3" +mp-1007852,FeCo3,-7.4386297725,0.0101138763,0.04407567,0.04407567,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Fe,4.0,A3B_cP4_221_c_a:Co-Fe +mp-1225016,FeCo,-7.8058413,-0.0166717975,0.05125179,0.0435650267,GGA,Cmmm,AB_oC4_65_a_c:Co-Fe,2.0,AB_oC4_65_a_c:Co-Fe +mp-2090,FeCo,-7.85709309,-0.0679235875,0.0,-0.0076867633,GGA,Pm-3m,AB_cP2_221_a_b:Co-Fe,2.0,AB_cP2_221_a_b:Co-Fe +mp-1096987,FeCo9,-6.640347859,0.6041402775,0.617724995,0.617724995,GGA,P4/mmm,A9B_tP10_123_ar_b:Co-Fe,10.0,A9B_tP10_123_ar_b:Co-Fe +mp-1080603,Fe7Co,-8.3232140487,-0.0234057656,0.0005384213,0.0005384213,GGA,Im-3m,AB7_cI16_229_a_bc:Co-Fe,8.0,AB7_cI16_229_a_bc:Co-Fe +mp-23059,Rb2SnCl6,-3.7842321211,-1.8884699033,0.0,-0.0978606244,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Sn,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Sn +mp-998611,RbSnCl3,-3.88993258,-1.7827893985,0.0,-0.0434837515,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Rb-Sn,10.0,A3BC_hR30_161_b_a_a:Cl-Rb-Sn +mp-1102327,LuGaPt,-5.6419535792,-1.101893625,0.0,-0.1390358905,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Lu-Pt,12.0,ABC_oP12_62_c_c_c:Ga-Lu-Pt +mp-21492,CeInNi,-5.2706020833,-0.4489655617,0.0,-0.0105245194,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-In-Ni,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ce-In-Ni, expected Ce3In3Ni5 to be CeInNi" +mp-1192200,Ce11In9Ni4,-5.1050685442,-0.3904985027,0.0,-0.0191461825,GGA,Cmmm,A11B9C4_oC48_65_a2gip_c2q_q:Ce-In-Ni,24.0,A11B9C4_oC48_65_a2gip_c2q_q:Ce-In-Ni +mp-1193040,CeIn2Ni9,-5.5072735262,-0.219132965,0.0115093588,0.0115093588,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Ce-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Ce-In-Ni +mp-1102039,CeIn4Ni,-4.1037075083,-0.3170473825,0.01024843,0.01024843,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ce-In-Ni,12.0,AB4C_oC24_63_c_acf_c:Ce-In-Ni +mp-1189631,Ce(In2Ni)3,-4.2278032375,-0.24944308,0.0168360795,0.0168360795,GGA,Pmmn,AB6C3_oP20_59_a_ab2e_be:Ce-In-Ni,20.0,AB6C3_oP20_59_a_ab2e_be:Ce-In-Ni +mp-1206393,CeInNi4,-5.6698796717,-0.3689930708,0.0,-0.0285827221,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-In-Ni,6.0,ABC4_cF24_216_a_c_e:Ce-In-Ni +mp-580324,Ce4In8Ni7,-4.8870296884,-0.3498305716,0.0379288653,0.0379288653,GGA,Cmmm,A4B8C7_oC76_65_gjq_acg2h2p_ip2q:Ce-In-Ni,38.0,"Invalid WP multiplicities - A4B8C7_oC76_65_2g2j4q_ac2g4h7p_2i2p5q:Ce-In-Ni, expected Ce12In21Ni16 to be Ce4In8Ni7" +mp-640108,Ce2InNi2,-5.701907482,-0.466280402,0.0,-0.071154795,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-In-Ni,10.0,A2BC2_tP10_127_h_a_g:Ce-In-Ni +mp-865974,TmNi2Sn,-5.5175279075,-0.5061077479,0.0236504241,0.0236504241,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-Tm,4.0,A2BC_cF16_225_c_a_b:Ni-Sn-Tm +mp-1095204,Tm2Ni2Sn,-5.520329171,-0.6160259587,0.0,-0.0163855403,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ni-Sn-Tm,10.0,A2BC2_tP10_127_g_a_h:Ni-Sn-Tm +mp-1079270,Tm2NiSn6,-4.7278033744,-0.4178879681,0.0013281932,0.0013281932,GGA,Cmmm,AB6C2_oC18_65_a_2gh_h:Ni-Sn-Tm,9.0,AB6C2_oC18_65_a_2gh_h:Ni-Sn-Tm +mp-1197522,TmNiSn2,-5.107731506,-0.5389525527,0.0,-0.0257941837,GGA,Pnma,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Tm,48.0,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Tm +mp-1188573,Tm6Ni2Sn,-5.1443694172,-0.4304963333,0.0112446233,0.0112446233,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Ni-Sn-Tm,18.0,A2BC6_oI36_71_fg_ab_lmn:Ni-Sn-Tm +mp-1102179,TmNiSn,-5.4183119667,-0.6631306472,0.0,-0.0813595356,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sn-Tm,12.0,ABC_oP12_62_c_c_c:Ni-Sn-Tm +mp-1207718,TmNiSn4,-4.6974474283,-0.3150708411,0.0442308607,0.0442308607,GGA,Cmmm,AB4C_oC24_65_g_ac2gh_h:Ni-Sn-Tm,12.0,AB4C_oC24_65_g_ac2gh_h:Ni-Sn-Tm +mp-1188157,Li2(TmGe)3,-4.5483975988,-0.6590931527,0.0840549958,0.0840549958,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Li-Tm,16.0,A3B2C3_oC32_63_cf_f_cf:Ge-Li-Tm +mp-1205941,LiTmGe,-4.3739442789,-0.7046822306,0.0,-0.0813856669,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Tm,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Tm +mp-1211496,Li(TmGe)4,-5.0632997872,-0.8072580117,0.0,-0.0131160976,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Tm,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Tm +mp-1222756,Li(TmGe2)2,-4.7520499757,-0.5588063852,0.0267549982,0.0267549982,GGA,Pm,A4BC2_mP7_6_2a2b_a_ab:Ge-Li-Tm,7.0,A4BC2_oC14_38_2a2b_a_ab:Ge-Li-Tm +mp-865909,Yb2HgGe,-2.6956340825,-0.6941528875,0.0,-0.0593620358,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hg-Yb,,ABC2_cF16_225_a_b_c:Ge-Hg-Yb +mp-865789,YbInAg2,-2.8525500725,-0.3634490683,0.0,-0.0264680216,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Yb,,A2BC_cF16_225_c_a_b:Ag-In-Yb +mp-1100846,YbAgSe2,-3.9225103706,-1.081513561,0.2045757615,0.2045757615,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Ag-Se-Yb,,"Invalid WP multiplicities - AB2C_oP16_19_a_5a_a:Ag-Se-Yb, expected YbAgSe5 to be YbAgSe2" +mp-1106005,YbAgSe2,-3.9901030706,-1.149106261,0.1369830615,0.1369830615,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Ag-Se-Yb,,AB2C_oP16_19_a_2a_a:Ag-Se-Yb +mp-1227359,Be4AlCr,-4.8457293725,-0.1196835792,0.0,-0.0041442274,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Be-Cr,12.0,AB4C_hP12_164_d_abi_d:Al-Be-Cr +mp-1227276,Be4AlCr,-4.8242656533,-0.09821986,0.0214637192,0.0173194917,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Be-Cr,6.0,AB4C_cF24_216_a_e_c:Al-Be-Cr +mp-1096715,Mg2HgRh,-1.3304751425,1.3866619412,1.7267563175,1.7267563175,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Rh,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Rh +mp-1212304,Ho4MgRh,-4.9513233037,-0.4022860704,0.0,-0.0270417818,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ho-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:Ho-Mg-Rh +mp-1224189,Ho7Mg3Rh2,-4.6877608117000005,-0.3872343133,0.0038589847,0.0038589847,GGA,Cm,A7B3C2_mC48_8_6a4b_2a2b_2ab:Ho-Mg-Rh,24.0,A7B3C2_mC48_8_6a4b_2a2b_2ab:Ho-Mg-Rh +mp-864744,HoMgRh2,-5.963501405,-0.7356752400000001,0.0,-0.0456786375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Ho-Mg-Rh +mp-865226,LuMgHg2,-2.101889495,-0.41974167,0.0,-0.076181555,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Mg,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Mg +mp-973771,Lu2MgHg,-2.97496302,-0.2384976562,0.020433825,0.020433825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Lu-Mg,4.0,AB2C_cF16_225_a_c_b:Hg-Lu-Mg +mp-1095184,NpSe3,-7.0839364862,-1.2250579577,0.0,-0.0779175465,GGA,P2_1/m,AB3_mP8_11_e_3e:Np-Se,8.0,AB3_mP8_11_e_3e:Np-Se +mp-1186355,NpSe3,-6.808203435,-0.9493249064,0.2757330512,0.1978155047,GGA,I4/mmm,AB3_tI8_139_a_bd:Np-Se,4.0,AB3_tI8_139_a_bd:Np-Se +mp-1197019,Np3Se5,-8.5145621997,-1.4742001457,0.0,-0.0479206236,GGA,Pnma,A3B5_oP32_62_cd_3cd:Np-Se,32.0,A3B5_oP32_62_cd_3cd:Np-Se +mp-684922,Np2Se3,-8.7352116157,-1.4585528567,0.0,-0.019237063,GGA,I-42d,A2B3_tI80_122_cde_3e:Np-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Np-Se, expected Np9Se16 to be Np2Se3" +mp-17336,NpCuSe2,-7.0302513575,-1.0205490309,0.02932833,0.02932833,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Np-Se,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Cu-Np-Se, expected NpCuSe5 to be NpCuSe2" +mp-1103625,Np2Se5,-7.5074628629,-1.3110176127,0.0,-0.0147761728,GGA,P4_2/nmc,A2B5_tP14_137_d_ag:Np-Se,14.0,A2B5_tP14_137_d_ag:Np-Se +mp-1193639,Np2Se5,-7.4977167693,-1.3012715192,0.0097460936,-0.0050300792,GGA,Pbcn,A2B5_oP28_60_d_c2d:Np-Se,28.0,A2B5_tP14_137_d_ag:Np-Se +mp-627,NpSe,-9.521623965,-1.2997783855,0.0,-0.0843176717,GGA,Fm-3m,AB_cF8_225_a_b:Np-Se,2.0,AB_cF8_225_a_b:Np-Se +mp-570181,Np3Se4,-8.9254474771,-1.3787353408,0.0344533812,0.0344533812,GGA,I-43d,A3B4_cI28_220_a_c:Np-Se,14.0,A3B4_cI28_220_a_c:Np-Se +mp-1221702,MnAlRh2,-7.5623536925,-0.653301977,0.0304380725,-0.01965852,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Mn-Rh,4.0,ABC2_tP4_123_a_b_h:Al-Mn-Rh +mp-10894,MnAlRh2,-7.592791765,-0.6837400495,0.0,-0.0500965925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Mn-Rh +mp-862962,CaLaZn2,-2.6809767325,-0.3157031812,0.0,-0.0281095452,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-La-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-La-Zn +mp-1097138,HfTiOs2,-6.34793906,3.7289149167,4.43685254,4.43685254,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Os-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Os-Ti +mp-865809,TiTc2Sb,-8.58725558,-0.4008127933,0.0,-0.08204849,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sb-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Sb-Tc-Ti +mp-1097317,Mg2ZnHg,-0.211212485,0.9797835338,1.1657399616,1.1657399616,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Zn +mp-20478,LuTiSi,-6.5948820817,-0.6476285594,0.0,-0.0096704002,GGA,P4/nmm,ABC_tP6_129_c_c_a:Lu-Si-Ti,6.0,ABC_tP6_129_c_c_a:Lu-Si-Ti +mp-1071438,GdNi4Au,-6.2504128167,0.49467901,0.85543507,0.85543507,GGA,F-43m,ABC4_cF24_216_a_c_e:Au-Gd-Ni,6.0,ABC4_cF24_216_a_c_e:Au-Gd-Ni +mp-1095967,La2AgOs,-4.1181598575,1.8648245533,2.0536179737,2.0536179737,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-La-Os,4.0,AB2C_oI8_71_a_e_b:Ag-La-Os +mp-977393,LiLu2Ru,-5.4182258975,-0.3619192858,0.0,-0.0318685696,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Ru +mp-983551,CePmTl2,-4.1610956775,-0.3088662348,0.0,-0.0524499319,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Ce-Pm-Tl +mp-1183854,CePm3,-4.9626034025,0.0835756281,0.0835756281,0.0835756281,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Pm,4.0,AB3_tI8_139_a_bd:Ce-Pm +mp-1183863,CePm3,-4.95189729,0.0942817406,0.0942817406,0.0942817406,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Pm,8.0,AB3_hP8_194_c_h:Ce-Pm +mp-1183767,Ce3Pm,-5.53523495,0.1022174969,0.1022174969,0.1022174969,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Pm,4.0,A3B_cP4_221_c_a:Ce-Pm +mp-1103143,SmAsPt,-6.3728286567,-1.2232160367,0.0,-0.0845475425,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Pt-Sm,12.0,ABC_hP12_194_f_f_ab:As-Pt-Sm +mp-1183904,Eu2AgPt,-7.9764389,-0.6220156692000001,0.0468613906,0.0468613906,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Pt +mp-1215632,YbTe4Pb3,-4.0749011225,-0.9185544896,0.013145865,0.013145865,GGA,C2/m,A3B4C_mC16_12_ai_2i_d:Pb-Te-Yb,,"Invalid WP multiplicities - A3B4C_mC16_12_a2i_3i_c:Pb-Te-Yb, expected YbTe6Pb5 to be YbTe4Pb3" +mp-1009088,BeGeAs2,-4.5945434138,-0.1743740313,0.0,-0.1435709766,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Be-Ge,8.0,A2BC_tI16_122_d_a_b:As-Be-Ge +mp-1222535,Lu(Fe5Mo)2,-8.5513194485,-0.0195915377,0.0224416165,0.0224416165,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Lu-Mo,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Lu-Mo +mp-1205652,TlNiCl3,-3.887289324,-1.1496113627,0.001975696,0.001975696,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Ni-Tl,10.0,A3BC_hP10_194_h_a_c:Cl-Ni-Tl +mp-570404,Ho4CdCo,-4.6475990583,-0.2541252192,0.0,-0.0342402229,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Co-Ho,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_3e4f5g:Cd-Co-Ho, expected Ho33(CdCo)2 to be Ho4CdCo" +mp-1097406,Sc2CdPt,-3.2807956575,1.633944665,2.3982803325,2.3982803325,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Cd-Pt-Sc +mp-1097454,ScCdPt2,-3.7373368225,1.1120695538,1.9388985238,1.9388985238,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pt-Sc,4.0,AB2C_oI8_71_a_e_b:Cd-Pt-Sc +mp-1186978,ScCdPt2,-5.6665386600000005,-0.8171322837,0.0096966863,0.0096966863,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:Cd-Pt-Sc +mp-865340,Tm2HgOs,-5.4326971275,-0.3120174671,0.1013256023,0.1013256023,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Hg-Os-Tm +mp-1187265,Tb2IrAu,-6.1662035875,-0.8209414925,0.0175339786,0.0175339786,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Tb,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Tb +mp-861966,AcHgAu2,-3.3463601625,-0.6032053194,0.0,-0.0051604637,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Hg,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Hg +mp-1206174,ErSeBr,-2.6612269717,0.5443259009,1.8264586717,1.8264586717,GGA,Pmmm,ABC_oP6_47_i_i_i:Br-Er-Se,6.0,ABC_oP6_47_i_i_i:Br-Er-Se +mp-1185933,Mn3Cd,-6.57503006,0.5272038491000001,0.5272038491000001,0.5272038491000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-Mn,4.0,AB3_cF16_225_a_bc:Cd-Mn +mp-1185991,MnCd3,-2.8102003075,0.1724708355,0.1724708355,0.1724708355,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Mn,4.0,A3B_cP4_221_c_a:Cd-Mn +mp-1096109,MnCdAu2,-3.0518657075,1.1063015555,1.2353702428,1.2353702428,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Mn,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Mn +mp-865028,AcTlTe2,-4.4462173725,-1.2536098873,0.0,-0.4410788938,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Te-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Te-Tl +mp-978805,SmLuHg2,-2.92627027,-0.4645459237,0.0,-0.0735191356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Sm +mp-4897,ScSnPd2,-6.0533324,-0.877881255,0.0,-0.0783928809,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Pd-Sc-Sn +mp-17092,ScSnPd,-6.0252901694,-0.8513159128000001,0.0,-0.0580473321,GGA,P-62c,ABC_hP18_190_bf_h_g:Pd-Sc-Sn,18.0,ABC_hP18_190_bf_h_g:Pd-Sc-Sn +mp-1209128,Sc6CdTe2,-5.7086600794,-0.6859582820000001,0.0207532945,0.0207532945,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Cd-Sc-Te,36.0,AB6C2_oP36_62_c_6c_2c:Cd-Sc-Te +mp-1095253,ScGePt,-6.7414377758,-1.0658943492,0.0,-0.2167364738,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Sc,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Sc +mp-1185128,La3Hf,-5.9907042425,0.2005983438,0.2005983438,0.2005983438,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-La,8.0,AB3_hP8_194_c_h:Hf-La +mp-973024,La3Hf,-5.993231775,0.1980708113,0.1980708113,0.1980708113,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-La,4.0,AB3_cP4_221_a_c:Hf-La +mp-1197516,La2HfSe5,-6.7330020766,-2.069406998,0.0,-0.001091008,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Hf-La-Se,32.0,AB2C5_oP32_62_c_d_3cd:Hf-La-Se +mp-972898,Sc2GaAu,-5.4386578925,-0.6969288344,0.0083718175,0.0083718175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ga-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Ga-Sc +mp-1222373,Lu(AlCr)6,-6.6514814015,-0.1197359923,0.0887729946,0.0887729946,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cr-Lu,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cr-Lu +mp-1104319,Lu(Al2Cr)4,-5.8314916862,-0.2085880677,0.0064249005,0.0064249005,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Lu,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Lu +mp-1184339,Eu2ZnRh,-7.61285082,-0.32833705,0.0251409629,0.0251409629,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Rh-Zn +mp-1200116,Pr(Al10Cr)2,-4.4474550765,-0.1431717159,0.0086500535,0.0086500535,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Pr,46.0,A20B2C_cF184_227_cfg_d_a:Al-Cr-Pr +mp-1104490,Pr(Al2Cr)4,-5.8285532062000005,-0.1856530312,0.0406170297,0.0406170297,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Pr,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Pr +mp-1216791,TmAlCo,-5.5222764642,-0.4123667814,0.0124475288,0.0124475288,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Tm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Tm, expected Tm3(AlCo)2 to be TmAlCo" +mp-1216604,TmAlCo4,-6.3752783283,-0.2661645894,0.0761435103,0.0761435103,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-Tm,6.0,AB4C_hP6_187_a_ck_e:Al-Co-Tm +mp-972957,ScTiRu2,-8.8507750175,-0.6565834671,0.0,-0.0034898875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-Ti,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-Ti +mp-11846,Pr(AlZn)2,-3.403056818,-0.444747891,0.0,-0.0706789712,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Pr-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-Pr-Zn +mp-1219931,Pr2AlZn,-3.969762025,-0.3279792875,0.0184059437,0.0184059437,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Pr-Zn,4.0,AB2C_tP4_123_a_h_b:Al-Pr-Zn +mp-1219678,PrAlZn,-3.6911439317,-0.4290688667,0.0,-0.0034790225,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Pr-Zn,6.0,ABC_mC12_12_i_i_i:Al-Pr-Zn +mp-1096740,Ti2FeRe,-5.65256917,3.5238139371,3.933198415,3.933198415,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Re-Ti,4.0,ABC2_oI8_71_a_b_e:Fe-Re-Ti +mp-1021666,AlSi,-4.28223907,0.30320786,0.30320786,0.30320786,GGA,Pm-3m,AB_cP2_221_a_b:Al-Si,2.0,AB_cP2_221_a_b:Al-Si +mp-1228120,Al4Si,-3.966609966,0.114914304,0.114914304,0.114914304,GGA,R-3m,A4B_hR15_166_2c_a:Al-Si,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Al-Si, expected Al6Si to be Al4Si" +mp-1228809,AlReSi,-7.6636777067,-0.4585373583,0.0,-0.0997623785,GGA,I4mm,ABC_tI6_107_a_a_a:Al-Re-Si,3.0,ABC_tI6_107_a_a_a:Al-Re-Si +mp-1203554,Al4Si19,-4.8422799935,0.2909089583,0.2909089583,0.2909089583,GGA,P1,A4B19_aP46_1_8a_38a:Al-Si,46.0,A4B19_aP46_1_8a_38a:Al-Si +mp-16569,Al17(Re2Si)2,-5.6259573672,-0.2214558929,0.0355956079,0.0355956079,GGA,Pm-3,A17B4C2_cP138_200_efhj2k2l_jk_j:Al-Re-Si,138.0,A17B4C2_cP138_200_efhj2k2l_jk_j:Al-Re-Si +mp-863713,Pm2NiIr,-6.51841856,-0.4885046837,0.0,-0.4240065877,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Pm,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Pm +mp-867213,Er2OsPd,-6.9910313975000005,-0.6053596825,0.0229844573,0.0229844573,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Os-Pd,4.0,A2BC_cF16_225_c_a_b:Er-Os-Pd +mp-1195837,Ga40Mo8Au,-4.4644308565,-0.1549834324,0.0,-0.0122219973,GGA,R-3,AB40C8_hR147_148_b_ad6f_cf:Au-Ga-Mo,49.0,AB40C8_hR147_148_b_ad6f_cf:Au-Ga-Mo +mp-865282,Tm2AgRu,-5.6794198575,-0.41476251,0.0,-0.0379660463,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Ru-Tm +mp-863715,Pm2IrAu,-6.11697194,-0.7136217338,0.0,-0.4862121912,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Pm,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Pm +mp-976343,HoErPd2,-5.7955523025,-0.9180794775,0.019056135,0.019056135,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Pd,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Pd +mp-1186591,PmHoIn2,-4.176109835,-0.4670301719,0.0,-0.0961367813,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Pm,4.0,AB2C_cF16_225_a_c_b:Ho-In-Pm +mp-680502,La10Ga5Br4,-4.7968265053,-1.075107322,0.0,-0.0119909829,GGA,I4/mcm,A4B5C10_tI76_140_fh_al_f2l:Br-Ga-La,38.0,"Invalid WP multiplicities - A4B5C10_tI76_140_3f2h_2a3l_4f12l:Br-Ga-La, expected La28Ga7Br5 to be La10Ga5Br4" +mp-30207,La3GaBr3,-4.8950896829,-1.6814893504,0.0,-0.0458510974,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Br-Ga-La,7.0,A3BC3_cP7_221_c_a_d:Br-Ga-La +mp-973114,HoLuRu2,-7.32265124,-0.4096101225,0.0035929807,0.0035929807,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Ru +mp-1187340,TbLuIn2,-4.0905613625,-0.4258903425,0.0,-0.0158352713,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Tb,4.0,A2BC_cF16_225_c_a_b:In-Lu-Tb +mp-865375,Tm2OsRh,-7.46758494,-0.5817484033,0.0810579873,0.0810579873,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Os-Rh-Tm +mp-1079958,LuSnIr,-6.6435286422,-0.8538764572,0.0,-0.1475137785,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-Lu-Sn,9.0,ABC_hP9_189_ad_f_g:Ir-Lu-Sn +mp-1218708,Sr2PtAu,-3.9857649375,-0.8047643808,0.0,-0.0210926844,GGA,Amm2,ABC2_oC8_38_a_b_ab:Au-Pt-Sr,4.0,ABC2_oC8_38_a_b_ab:Au-Pt-Sr +mp-862747,Sr2PtAu,-3.92642761,-0.7454270533,0.0593373275,0.0382446431,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pt-Sr,4.0,ABC2_cF16_225_a_b_c:Au-Pt-Sr +mp-30837,TbTlPd,-4.7211715744,-0.6622078889,0.0,-0.0386684681,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Tb-Tl,9.0,ABC_hP9_189_ad_f_g:Pd-Tb-Tl +mp-1185086,LaYbTl2,-3.2549823575,-0.4547569379,0.0,-0.000414405,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Tl-Yb,,AB2C_cF16_225_a_c_b:La-Tl-Yb +mp-1220078,Ni2As3Pd4,-5.4690287233,-0.3293447439,0.0152755498,0.0152755498,GGA,Amm2,A3B2C4_oC18_38_ae_e_abd:As-Ni-Pd,9.0,A3B2C4_oC18_38_ae_e_abd:As-Ni-Pd +mp-1079440,NiAsPd,-5.5220248378,-0.3156458728,0.0115763015,0.0115763015,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Ni-Pd,9.0,ABC_hP9_189_ad_g_f:As-Ni-Pd +mp-862957,PmSbPd2,-5.632319605,-0.8224928094,0.0,-0.2355499134,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Pm-Sb,4.0,A2BC_cF16_225_c_a_b:Pd-Pm-Sb +mp-1223794,HoMnIn,-5.5906287,-0.0919260693,0.198316924,0.198316924,GGA,P-6m2,ABC_hP3_187_b_c_e:Ho-In-Mn,3.0,ABC_hP3_187_b_c_e:Ho-In-Mn +mp-1079059,Er2InAu2,-4.50395187,-0.8169748,0.0,-0.0184009203,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Er-In,10.0,A2B2C_tP10_127_g_h_a:Au-Er-In +mp-30376,ErInAu2,-4.166281465,-0.69948983,0.0,-0.0193849914,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Er-In,4.0,A2BC_cF16_225_c_a_b:Au-Er-In +mp-30375,ErInAu,-4.2622694644,-0.7311746178,0.0,-0.0381707067,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Er-In,9.0,ABC_hP9_189_ad_f_g:Au-Er-In +mp-1080127,YbCdPb,-2.4613817256,-0.4030000222,0.0,-0.0105418026,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Pb-Yb,,ABC_hP9_189_f_bc_g:Cd-Pb-Yb +mp-865648,Yb2CdPb,-2.471119855,-0.5424315075,0.0,-0.069071875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pb-Yb,,ABC2_cF16_225_a_b_c:Cd-Pb-Yb +mp-1093936,Be2ZnOs,-2.3069071975,2.684576995,2.8448761577,2.8448761577,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Os-Zn,4.0,A2BC_oI8_71_e_a_b:Be-Os-Zn +mp-867372,ThCdAg2,-3.659247035,-0.1587820308,0.0,-0.0017558205,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Th,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Th +mp-568089,CeCoSb3,-5.759325206,-0.6736430720000001,0.0,-0.0104246397,GGA,Pbcm,ABC3_oP40_57_cd_e_2c2de:Ce-Co-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_2c2d_e_8c6d6e:Ce-Co-Sb, expected Ce2CoSb13 to be CeCoSb3" +mp-1079392,CeCoSb2,-6.0637003938,-0.7388480363000001,0.0,-0.0292262194,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ce-Co-Sb,8.0,ABC2_tP8_129_c_a_bc:Ce-Co-Sb +mp-9350,ScGeAu,-5.46556494,-0.72243862,0.0,-0.02692939,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Sc,6.0,ABC_hP6_186_b_b_a:Au-Ge-Sc +mp-961697,ScGeAu,-5.4362155833,-0.6930892633,0.0293493567,0.0024199667,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Ge-Sc,3.0,ABC_cF12_216_c_a_b:Au-Ge-Sc +mp-1210787,Nd23Cd4Ir7,-5.6238496556,-0.470085266,0.0,-0.0006627042,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Nd,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Nd +mp-1209983,Nd4CdIr,-5.2498068587,-0.4441545804,0.0,-0.0181168639,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Nd,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Nd +mp-1224242,Ho4FeSe7,-6.0233815117,-1.7507950922000002,0.1355563667,0.1355563667,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Fe-Ho-Se,12.0,AB4C7_mC24_8_a_4a_7a:Fe-Ho-Se +mp-1187933,Yb2TlZn,-2.078561605,-0.4031607758,0.0032600999999999,0.0032600999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tl-Yb-Zn,,AB2C_cF16_225_a_c_b:Tl-Yb-Zn +mp-865283,Tm2AlOs,-6.3172353575,-0.3360818308,0.0845007326,0.0845007326,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Al-Os-Tm +mp-1207816,Tm3(Al3Os)4,-6.0166752682,-0.5806812708,0.0,-0.0539647402,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Tm,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Tm +mp-1189717,EuAl3Pd2,-6.068678795,-0.75976331,0.0,-0.0389047135,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Eu-Pd,18.0,A3BC2_hP18_191_fk_ad_l:Al-Eu-Pd +mp-1096337,Ti2MoRh,-5.335160805,3.1650746983,3.650601625,3.650601625,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Rh-Ti +mp-1093769,TiCrTc2,-5.9754686975,3.5919856467,3.8509766825,3.8402689462,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Cr-Tc-Ti +mp-1187470,TiCrTc2,-9.82644538,-0.2589910358,0.0,-0.0107077362,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Cr-Tc-Ti +mp-1207493,YbSiPd,-4.8313492925,-0.7830799192,0.0,-0.0003333129,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Si-Yb,,ABC_oP12_62_c_c_c:Pd-Si-Yb +mp-1207621,Yb3(Si3Pd10)2,-5.6431773697,-0.7890956724,0.0,-0.0921645964,GGA,Fm-3m,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Yb,,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Yb +mp-1189833,YbSiPd2,-5.2472689506,-0.9160964681,0.0,-0.09874484,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Si-Yb,,A2BC_oP16_62_d_c_c:Pd-Si-Yb +mp-1207527,YbSi3Pd5,-5.6325056047,-0.7752865581,0.0,-0.0136092718,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Pd-Si-Yb,,A5B3C_oP36_62_5c_3c_c:Pd-Si-Yb +mp-4633,Yb(SiPd)2,-5.360353714,-0.8103521220000001,0.0,-0.0774749475,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Yb,,A2B2C_tI10_139_d_e_a:Pd-Si-Yb +mp-1097173,BeCrIr2,-4.6624586375,3.1048735363,3.3923492014,3.3923492014,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cr-Ir,4.0,ABC2_oI8_71_a_b_e:Be-Cr-Ir +mp-1095931,Be2CrIr,-3.6281884025,2.8643884425,3.1987484028,3.1987484028,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cr-Ir,4.0,A2BC_oI8_71_e_a_b:Be-Cr-Ir +mp-10049,MnAsRu,-7.9086299767,-0.2101178976,0.0,-0.0106696978,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Mn-Ru,9.0,ABC_hP9_189_ad_f_g:As-Mn-Ru +mp-1079969,MnAsRu,-7.7285673467,-0.0300552676,0.18006263,0.1693929322,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Mn-Ru,9.0,ABC_hP9_189_ad_g_f:As-Mn-Ru +mp-1095782,MnAsRu2,-5.08504006,3.0074446343,3.1650330575,3.1650330575,GGA,Immm,ABC2_oI8_71_a_b_e:As-Mn-Ru,4.0,ABC2_oI8_71_a_b_e:As-Mn-Ru +mp-795639,Rb2Be4Pt3,-3.7630602444,0.1405085961,0.3866935797,0.3866935797,GGA,Fmmm,A4B3C2_oF36_69_n_ac_g:Be-Pt-Rb,9.0,A4B3C2_oF36_69_n_ac_g:Be-Pt-Rb +mp-631356,NbOsPb,-7.55753895,0.7895675633,0.9226721865,0.9226721865,GGA,F-43m,ABC_cF12_216_c_a_b:Nb-Os-Pb,3.0,ABC_cF12_216_c_a_b:Nb-Os-Pb +mp-866109,HoNbOs2,-9.4509023825,-0.16629019,0.1295505173,0.1295505173,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Nb-Os,4.0,ABC2_cF16_225_a_b_c:Ho-Nb-Os +mp-573888,Ba2ScCl7,-5.0976286973,-2.7866111367,0.0257688033,0.0257688033,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-Cl-Sc,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_6a_26a_2a:Ba-Cl-Sc, expected Ba3ScCl13 to be Ba2ScCl7" +mp-669476,Ba2ScCl7,-5.0956327935,-2.784615233,0.027764707,0.027764707,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Sc,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_6e_26e_e:Ba-Cl-Sc, expected Ba6ScCl26 to be Ba2ScCl7" +mp-1078164,Ba3Sc4,-4.0297708529,0.4112007529,0.4112007529,0.4112007529,GGA,R-3m,A3B4_hR21_166_ac_2c:Ba-Sc,7.0,A3B4_hR21_166_ac_2c:Ba-Sc +mp-1097129,LiCrRh2,-4.2322597075,2.3403868117,2.4710713267,2.4710713267,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Li-Rh,4.0,ABC2_oI8_71_a_b_e:Cr-Li-Rh +mp-1185306,LiCrRh2,-6.7004063525,-0.1277598333,0.0029246817,0.0029246817,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Cr-Li-Rh +mp-1096265,LiSc2Co,-3.28492237,2.1356223479,2.3394353698,2.3394353698,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Li-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Li-Sc +mp-865936,LiSc2Tc,-6.3564429825,-0.1228179771,0.0,-0.0084301393,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Li-Sc-Tc +mp-1185046,LaTmTl2,-3.8944004575,-0.3601182521,0.005606385,0.005606385,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:La-Tl-Tm +mp-973069,HoLuTl2,-3.748550685,-0.2913892642,0.0,-0.005363155,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Tl +mp-10866,Np(GePd)2,-6.965778508,-0.4550587057,0.0,-0.0764439178,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Np-Pd,5.0,A2BC2_tI10_139_e_a_d:Ge-Np-Pd +mp-1183552,CaPmAg2,-3.4191206775,-0.3138071252,0.0,-0.0774414996,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Pm +mp-865262,TmTaRu2,-9.1826377775,-0.4620332442,0.0,-0.1058693206,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Tm,4.0,A2BC_cF16_225_c_a_b:Ru-Ta-Tm +mp-972657,SmBiAu2,-4.3927738975,-0.6160640812,0.0365915473,0.0365915473,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Sm +mp-1080419,SmBi2Au,-4.4978997188,-0.57953812,0.0233766837,0.0233766837,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Bi-Sm,8.0,AB2C_tP8_129_a_bc_c:Au-Bi-Sm +mp-1105248,Sm3Bi4Au3,-4.657433857,-0.7234977645,0.0,-0.0489835352,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Bi-Sm,20.0,A3B4C3_cI40_220_a_c_b:Au-Bi-Sm +mp-571599,Ba(BiPd)2,-4.654234429,-0.662291065,0.0,-0.1237022222,GGA,P2_1/m,AB2C2_mP10_11_e_2e_2e:Ba-Bi-Pd,10.0,"Invalid WP multiplicities - AB2C2_mP10_11_e_3e_4e:Ba-Bi-Pd, expected BaBi3Pd4 to be Ba(BiPd)2" +mp-1183618,CaGdCd2,-4.82783564,-0.34596023,0.003637195,0.003637195,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Gd,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Gd +mp-862293,La2AgIr,-5.8524657325,-0.4667146342,0.0760053312,0.0760053312,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-La,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-La +mp-11090,EuCdPd,-6.07497592,-0.62171813,0.0,-0.0911989283,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Eu-Pd,12.0,ABC_oP12_62_c_c_c:Cd-Eu-Pd +mp-1072474,TmSe2,-5.638875325,-1.8163225321,0.0,-0.0241272941,GGA,P4/nmm,A2B_tP6_129_ac_c:Se-Tm,6.0,A2B_tP6_129_ac_c:Se-Tm +mp-1189318,Tm2Se3,-6.0385153415,-2.1506342856,0.0,-0.112664932,GGA,Fddd,A3B2_oF80_70_eh_2f:Se-Tm,20.0,A3B2_oF80_70_eh_2f:Se-Tm +mp-32850,Tm2Se3,-5.9510303673,-2.0631493113,0.0874849742,-0.0251799577,GGA,I-42d,A3B2_tI80_122_3e_cde:Se-Tm,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d5e:Se-Tm, expected Tm9Se16 to be Tm2Se3" +mp-1216658,Tm5TeSe4,-5.729496066,-1.7788831739000002,0.013761273,0.013761273,GGA,R-3m,A4BC5_hR30_166_2c_a_b2c:Se-Te-Tm,10.0,"Invalid WP multiplicities - A4BC5_hR30_166_3c_a_b4c:Se-Te-Tm, expected Tm9TeSe6 to be Tm5TeSe4" +mp-684691,Tm23Se32,-6.0041163416,-2.0984184867,0.0045780805,0.0045780805,GGA,P1,A32B23_aP55_1_32a_23a:Se-Tm,55.0,A32B23_aP55_1_32a_23a:Se-Tm +mp-1216721,Tm5Te4Se,-5.333605953,-1.4887747362,0.015922548,0.015922548,GGA,C2/m,AB4C5_mC20_12_a_2i_c2i:Se-Te-Tm,10.0,"Invalid WP multiplicities - AB4C5_mC20_12_a_3i_c3i:Se-Te-Tm, expected Tm7Te6Se to be Tm5Te4Se" +mp-2822,TmSe,-5.874500285,-1.8886268345,0.0,-0.0852984475,GGA,Fm-3m,AB_cF8_225_a_b:Se-Tm,2.0,AB_cF8_225_a_b:Se-Tm +mp-1205724,Pr2CdRh2,-5.610763316,-0.568099914,0.0,-0.014094695,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Pr-Rh,10.0,AB2C2_tP10_127_a_h_g:Cd-Pr-Rh +mp-1210413,Pr23Cd4Rh7,-5.2868737124,-0.427975286,0.0,-0.0266513633,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Rh,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Rh +mp-5260,Ho(GeRu)2,-7.119579062,-0.64412513,0.0,-0.0775110842,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Ho-Ru,5.0,A2BC2_tI10_139_e_a_d:Ge-Ho-Ru +mp-1224206,Ho4Ge8Ru,-5.5492014238,-0.5808736654000001,0.0567626818,0.0567626818,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Ru,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Ru +mp-30172,Ho3Ge3Ru2,-6.5509805488,-0.7803411419,0.0,-0.0071376828,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Ge-Ho-Ru,16.0,A3B3C2_oC32_63_cf_cf_f:Ge-Ho-Ru +mp-1202131,Ho3Ge13Ru4,-5.985737014,-0.4385270697,0.015699655,0.015699655,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Ru,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Ru +mp-1205791,Ho2Ge2Ru,-6.337860998,-0.8008058,0.0,-0.0041313335,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-Ho-Ru,10.0,A2B2C_mC20_12_2i_2i_i:Ge-Ho-Ru +mp-1105625,Ho2Ge5Ru3,-6.642077665,-0.6317612015,0.0,-0.0372534737,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-Ho-Ru,20.0,A5B2C3_oI40_72_afj_j_bj:Ge-Ho-Ru +mp-22041,HoGeRu,-6.8871459792,-0.7271995575,0.0,-0.0297007161,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Ru,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Ru +mp-865535,Ac2ZnGa,-3.4809691025,-0.3484216906,0.0,-0.0875551375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Ga-Zn +mp-1018799,MgSc3Ru2,-7.0004786517,-0.4760632442,0.0,-0.0218295067,GGA,P4/mmm,AB2C3_tP6_123_a_g_dh:Mg-Ru-Sc,6.0,AB2C3_tP6_123_a_g_dh:Mg-Ru-Sc +mp-1063566,MgSc2Ru,-6.29471805,-0.40981285,0.0,-0.0393791732,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Mg-Ru-Sc,4.0,ABC2_tP4_123_a_b_h:Mg-Ru-Sc +mp-866079,MgSc2Ru,-6.1910202525,-0.3061150525,0.1036977975,0.0643186243,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Mg-Ru-Sc +mp-1213959,CaSbPd,-4.7051635258,-0.9336692158,0.0,-0.0882121215,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pd-Sb,12.0,ABC_oP12_62_c_c_c:Ca-Pd-Sb +mp-1093550,CaSbPd2,-2.9061332575,1.2174579275,1.9819718356,1.9819718356,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pd-Sb,4.0,AB2C_oI8_71_a_e_b:Ca-Pd-Sb +mp-1183547,CaSbPd2,-4.827762005,-0.70417082,0.0603430881,0.0603430881,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Sb +mp-571215,Ca2Sb4Pd3,-4.8293462128,-0.8219184183,0.0,-0.0397107678,GGA,I4/mmm,A2B3C4_tI36_139_2e_cde_2eg:Ca-Pd-Sb,18.0,"Invalid WP multiplicities - A2B3C4_tI36_139_2e_cd2e_4e4g:Ca-Pd-Sb, expected Ca(Sb3Pd)2 to be Ca2Sb4Pd3" +mp-865119,NaPrHg2,-2.05946953,-0.3817715854,0.0,-0.0210463381,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Pr +mp-1227012,Ce2MgCo9,-6.5869535992,-0.1335103896,0.0028198246,0.0028198246,GGA,R3m,A2B9C_hR36_160_2a_3a2b_a:Ce-Co-Mg,12.0,A2B9C_hR36_160_2a_3a2b_a:Ce-Co-Mg +mp-1022108,CeMg6Co,-2.6941124988,0.1362734075,0.1906458044,0.1906458044,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ce-Co-Mg, expected CeMg12Co to be CeMg6Co" +mp-1022114,CeMg6Co,-2.6977098375,0.1326760687,0.1870484656,0.1870484656,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Co-Mg,8.0,ABC6_oC16_38_a_b_abde:Ce-Co-Mg +mp-1099113,CeMg14Co,-2.1319690437,0.0833639344,0.1105501328,0.1105501328,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Co-Mg, expected CeMg18Co to be CeMg14Co" +mp-1099102,CeMg14Co,-2.0948369738,0.1204960044,0.1476822028,0.1476822028,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Co-Mg, expected CeMg26Co to be CeMg14Co" +mp-1096668,AlAgAu2,-2.331572225,0.9499017333,1.1876587775,1.1876587775,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Al-Au,4.0,ABC2_oI8_71_a_b_e:Ag-Al-Au +mp-864807,HfZnNi2,-6.1250069825,-0.4307054825,0.0,-0.003927518,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Hf-Ni-Zn +mp-1204825,Gd(Zn10Co)2,-2.494482342,-0.1689332102,0.0,-0.0082414099,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Co-Gd-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Co-Gd-Zn +mp-12550,AlCuPt2,-5.69440218,-0.697639895,0.0,-0.0461538475,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Al-Cu-Pt,4.0,ABC2_tP4_123_a_c_e:Al-Cu-Pt +mp-1025370,InSiPt5,-6.0329262871,-0.5282593786,0.0,-0.0196447943,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:In-Pt-Si,7.0,AB5C_tP7_123_c_ai_b:In-Pt-Si +mp-1097654,Mn2CoTc,-5.6534570575,3.2947897735,3.3263267883,3.3263267883,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Mn-Tc,4.0,AB2C_oI8_71_a_e_b:Co-Mn-Tc +mp-1185598,GdLuRh2,-9.214511835,-0.88308971,0.0327951525,0.0327951525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Gd-Lu-Rh +mp-862880,PmBiPd2,-5.470563285,-0.7328645169,0.0,-0.0367804458,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Pm +mp-1095955,Ta2OsRh,-6.5740587475,4.0027488925,4.4224904503,4.4224904503,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Rh-Ta,4.0,ABC2_oI8_71_a_b_e:Os-Rh-Ta +mp-1226973,Ce2(MnNi)5,-7.3564450742,-0.1417002266,0.0828475427,0.0828475427,GGA,Pmmm,A2B5C5_oP12_47_ad_fij_gx:Ce-Mn-Ni,12.0,"Invalid WP multiplicities - A2B5C5_oP12_47_ad_f2ij_gx:Ce-Mn-Ni, expected Ce2Mn7Ni5 to be Ce2(MnNi)5" +mp-5951,CeMnNi4,-6.6390163417,-0.2697411472,0.0339859402,0.0339859402,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-Mn-Ni,6.0,ABC4_cF24_216_a_c_e:Ce-Mn-Ni +mp-1226703,CeMn7Ni5,-7.5719999431,0.0409138723,0.2000439619,0.2000439619,GGA,Imm2,AB7C5_oI26_44_a_bce_2abc:Ce-Mn-Ni,13.0,AB7C5_oI26_44_a_bce_2abc:Ce-Mn-Ni +mp-867876,SmTlAg2,-3.440417035,-0.2538317129,0.0158203807,0.0158203807,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sm-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Sm-Tl +mp-972536,Sm2TlAg,-3.9900044775,-0.3319116225,0.0,-0.0013905825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sm-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Sm-Tl +mp-12748,ThMn2,-8.5066474375,0.0726488405,0.0726488405,0.0726488405,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Th,12.0,A2B_hP12_194_ah_f:Mn-Th +mp-1217317,ThMnCo4,-7.6221427817,-0.1206186613,0.0250777737,0.0250777737,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Mn-Th,6.0,A4BC_hP6_187_ak_c_e:Co-Mn-Th +mp-31222,Th6Mn23,-8.7452584507,0.0550691775,0.0550691775,0.0550691775,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Th,29.0,A23B6_cF116_225_ad2f_e:Mn-Th +mp-1217304,ThMn2Co3,-7.9497362783,-0.1059292418,0.0317893914,0.0317893914,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Mn-Th,6.0,A3B2C_hP6_191_g_c_a:Co-Mn-Th +mp-31221,ThMn12,-9.0195689523,0.0079727211,0.0079727211,0.0079727211,GGA,I4/mmm,A12B_tI26_139_fij_a:Mn-Th,13.0,A12B_tI26_139_fij_a:Mn-Th +mp-1213036,ErGa3Os,-5.46129247,-0.4854176085,0.0,-0.0293451894,GGA,Pm-3m,AB3C_cP15_221_d_ag_c:Er-Ga-Os,15.0,AB3C_cP15_221_d_ag_c:Er-Ga-Os +mp-647247,Er2Ga10Os3,-5.2898869873,-0.416653645,0.0,-0.0047873318,GGA,P4/mbm,A2B10C3_tP30_127_g_fl_ah:Er-Ga-Os,30.0,"Invalid WP multiplicities - A2B10C3_tP30_127_g_3f3l_2a2h:Er-Ga-Os, expected Er(Ga5Os)3 to be Er2Ga10Os3" +mp-1097623,Ca2PdRh,-2.8446302,1.29421716,1.8487016279,1.8487016279,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Pd-Rh,4.0,A2BC_oI8_71_e_a_b:Ca-Pd-Rh +mp-1210189,Nd2(Ga3Ru)3,-5.1536208189,-0.5384517698,0.0,-0.0200195334,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Nd-Ru,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Nd-Ru +mp-865815,YbPd2Au,-4.4987747875,-0.7054613125,0.0,-0.0115415675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pd-Yb,,AB2C_cF16_225_a_c_b:Au-Pd-Yb +mp-864800,Yb2PdAu,-3.794977635,-0.9117325425,0.0,-0.003564515,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Yb,,ABC2_cF16_225_a_b_c:Au-Pd-Yb +mp-35189,Co2SbTe,-5.6407065825,-0.2684709017,0.0433135144,0.0433135144,GGA,P-6m2,A2BC_hP4_187_i_a_d:Co-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Co-Sb-Te +mp-1226005,CoSbTe,-5.2003937567,-0.4068521139,0.0,-0.0093412404,GGA,P2/m,ABC_mP6_10_ce_m_n:Co-Sb-Te,6.0,ABC_mP6_10_ae_m_n:Co-Sb-Te +mp-1184815,GdErRh2,-9.18179958,-0.8386853825,0.035867435,0.035867435,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Gd-Rh +mp-1223727,InTe5Pb4,-3.905285868,-0.5734057203,0.019958543,0.019958543,GGA,I4/mmm,AB4C5_tI20_139_a_2e_b2e:In-Pb-Te,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:In-Pb-Te, expected InTe7Pb6 to be InTe5Pb4" +mp-1223713,InTe5Pb4,-3.904687983,-0.5728078353,0.020556428,0.020556428,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:In-Pb-Te,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:In-Pb-Te, expected In(Te3Pb2)3 to be InTe5Pb4" +mp-1224649,In6Te10Pb,-3.6137161671,-0.5751392033,0.0,-0.0107829944,GGA,C2,A6BC10_mC68_5_6c_c_ab9c:In-Pb-Te,34.0,"Invalid WP multiplicities - A6BC10_mC68_5_10c_c_ab13c:In-Pb-Te, expected In10Te14Pb to be In6Te10Pb" +mp-1097666,La2IrPt,-5.12636052,1.0690349075,2.0136571787,2.0136571787,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-La-Pt,4.0,AB2C_oI8_71_a_e_b:Ir-La-Pt +mp-1186242,Nd2HgPb,-3.8997014375,-0.5115458625,0.0114045648,0.0114045648,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Nd-Pb,4.0,AB2C_cF16_225_a_c_b:Hg-Nd-Pb +mp-1183271,Ac3Eu,-5.6038648250000005,0.0512668806,0.0512668806,0.0512668806,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Eu,8.0,A3B_hP8_194_h_c:Ac-Eu +mp-1183268,AcEuMg2,-4.4715854775,-0.0769012506,0.0091983756,0.0091983756,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Eu-Mg,4.0,ABC2_cF16_225_a_b_c:Ac-Eu-Mg +mp-1183125,AcEu3,-8.6975787162,0.0254663856,0.0254663856,0.0254663856,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Eu,8.0,AB3_hP8_194_c_h:Ac-Eu +mp-1205644,Er2CdPd2,-4.902259403,-0.8186412030000001,0.0,-0.0498868357,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Er-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Er-Pd +mp-863738,ErCdPd2,-4.7180764725,-0.7554834250000001,0.0,-0.0278654127,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Er-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Er-Pd +mp-1212944,Er4CdPd,-4.5226154838,-0.4603410154,0.0,-0.0367344533,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Er-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Er-Pd +mp-1184056,Eu2InHg,-6.4018199375,-0.5094780137,0.0,-0.0254911723,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-In,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-In +mp-1184408,EuInHg2,-3.8291953525,-0.4251837875,0.0,-0.0174621417,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-In,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-In +mp-867827,DyCdAu2,-3.6923008,-0.67294065,0.0,-0.022064185,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Dy,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Dy +mp-1206542,DyCdAu,-3.5917564856,-0.6572369522,0.0,-0.0466689835,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Dy,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Dy +mp-2039,ScMn2,-8.3617310217,-0.142897792,0.0,-0.142897792,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Sc,12.0,A2B_hP12_194_ah_f:Mn-Sc +mp-1206500,Sc6MnTe2,-6.6251224933,-0.6869623035,0.0,-0.0204911878,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Mn-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Mn-Sc-Te +mp-866067,Nd2CdIn,-3.7149165025,-0.4121994137,0.0,-0.008496675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Nd,4.0,ABC2_cF16_225_a_b_c:Cd-In-Nd +mp-1220203,NdCdIn,-3.23903087,-0.4247905625,0.0,-0.0029983503,GGA,P-3m1,ABC_hP6_164_d_d_c:Cd-In-Nd,6.0,ABC_hP6_164_d_d_c:Cd-In-Nd +mp-1102945,HfGeRh,-8.1945587133,-0.8797171283,0.0,-0.1443182734,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Hf-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Hf-Rh +mp-1079167,HfGeRh,-8.18506002,-0.8702184350000001,0.0094986933,-0.13481958,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Hf-Rh,9.0,ABC_hP9_189_ad_f_g:Ge-Hf-Rh +mp-1093534,HfGeRh2,-5.2132556575,2.1139524987,2.907535778,2.907535778,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Hf-Rh,4.0,ABC2_oI8_71_a_b_e:Ge-Hf-Rh +mp-683893,HfGe2Rh,-7.2794539273,-0.6375657748,0.0222220715,0.0222220715,GGA,Pbam,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Rh,48.0,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Rh +mp-1219999,PrGePd,-5.70518921,-0.8439174033,0.0887236572,0.0066380608,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Pr,6.0,ABC_mC12_12_i_i_i:Ge-Pd-Pr +mp-1209687,PrGePd,-5.7939128672,-0.9326410606,0.0,-0.0820855964,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Ge-Pd-Pr,36.0,ABC_oP36_62_3c_3c_3c:Ge-Pd-Pr +mp-1105974,PrGePd2,-5.799612475,-0.8586881675,0.0,-0.0229514132,GGA,Pnma,AB2C_oP16_62_c_d_c:Ge-Pd-Pr,16.0,AB2C_oP16_62_c_d_c:Ge-Pd-Pr +mp-1205872,Pr2Ge6Pd,-5.2465286989,-0.5265442044,0.0380193464,0.0380193464,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Pr,,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Pr +mp-1206754,Pr(GePd)2,-5.713949668,-0.836604651,0.0,-0.0925537437,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Pr,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-Pr +mp-1187617,YbNdMg2,-2.4603106625,-0.0832317094,0.006455125,0.006455125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Yb,,A2BC_cF16_225_c_a_b:Mg-Nd-Yb +mp-864933,Mg2AgRh,-3.7298231275,-0.3804671342,0.0,-0.0226801525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Rh +mp-1097560,Al2OsRu,-3.91825387,3.0799765375,3.6286583294,3.6286583294,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Ru,4.0,A2BC_oI8_71_e_a_b:Al-Os-Ru +mp-1255731,Al2OsRu,-5.4154855675,1.5827448400000002,2.1314266319,2.1314266319,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Ru,4.0,A2BC_oI8_71_e_a_b:Al-Os-Ru +mp-1189098,Eu3(AlAs2)2,-7.2906149728,-0.9685448972,0.0,-0.0505494307,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-As-Eu,18.0,A2B4C3_mC36_15_f_2f_ef:Al-As-Eu +mp-1093775,NaCaHg2,-0.4055758975,0.5782955784,0.9779232769,0.9779232769,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Na,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Na +mp-754955,LuSiRu,-7.2825143325,-0.8756239692000001,0.0,-0.1003927314,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Ru-Si,12.0,ABC_oP12_62_c_c_c:Lu-Ru-Si +mp-10453,Lu(SiRu)2,-7.651397358,-0.8673190260000001,0.0,-0.096503016,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Ru-Si +mp-669402,Lu2Si5Ru3,-7.191765721,-0.79259584,0.0,-0.0429889216,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Lu-Ru-Si,40.0,"Invalid WP multiplicities - A2B3C5_tP40_128_h_4d4h_4e5g5h:Lu-Ru-Si, expected Lu(Si2Ru)6 to be Lu2Si5Ru3" +mp-1200287,RbSi,-3.1891834141,0.0137426372,0.0193559616,0.0137426372,GGA,I4_1/acd,AB_tI64_142_ef_g:Rb-Si,32.0,AB_tI64_142_ef_g:Rb-Si +mp-1074,RbSi,-3.2085393756,-0.0056133244,0.0,-0.0056133244,GGA,P-43n,AB_cP64_218_ei_ei:Rb-Si,64.0,"Invalid WP multiplicities - AB_cP64_218_ei_2e3i:Rb-Si, expected Rb4Si11 to be RbSi" +mp-1186867,Rb3Si,-1.703269035,0.3884610269,0.3912676891,0.3912676891,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Si,4.0,A3B_tI8_139_ad_b:Rb-Si +mp-974572,Rb3Si,-1.6926904013,0.3990396606,0.4018463228,0.4018463228,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rb-Si,8.0,A3B_hP8_194_h_c:Rb-Si +mp-6960,Rb2SiAs2,-3.781094508,-0.440169911,0.0,-0.1008177752,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-Rb-Si,10.0,A2B2C_oI20_72_j_j_a:As-Rb-Si +mp-17490,Rb5SiAs3,-3.0894309958,-0.3888372617,0.0,-0.0337020897,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:As-Rb-Si,36.0,A3B5C_oP36_62_3c_5c_c:As-Rb-Si +mp-10152,La(SiIr)2,-7.705951508,-1.013249203,0.013864534,-0.1484099575,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ir-La-Si,10.0,A2BC2_tP10_129_ac_c_bc:Ir-La-Si +mp-3585,La(SiIr)2,-7.719816042,-1.027113737,0.0,-0.1622744915,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ir-La-Si,5.0,A2BC2_tI10_139_d_a_e:Ir-La-Si +mp-2914,LaSi3Ir,-6.87115201,-0.861072935,0.0,-0.1623928695,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ir-La-Si,5.0,ABC3_tI10_107_a_a_ab:Ir-La-Si +mp-1207309,La2(SiIr)3,-4.6923537563,1.8905550987,2.9072780894,2.9072780894,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Ir-La-Si,8.0,A3B2C3_tP8_123_ag_g_bg:Ir-La-Si +mp-3555,LaSiIr,-7.3993248517,-0.99940508,0.0,-0.0933392347,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-La-Si,12.0,ABC_cP12_198_a_a_a:Ir-La-Si +mp-867269,LiHo2Os,-5.83388731,-0.2586103008,0.0,-0.0443705883,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Li-Os,4.0,A2BC_cF16_225_c_a_b:Ho-Li-Os +mp-1096359,Cd2CuPt,-1.6198855125,1.384144365,1.5539905992,1.5539905992,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Cu-Pt,4.0,A2BC_oI8_71_e_a_b:Cd-Cu-Pt +mp-1097702,Be2PdRu,-2.9170588025,2.5662187175,2.9871069588,2.9871069588,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pd-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Pd-Ru +mp-1096363,Sc2AgPt,-3.76004473,1.6321121533,2.4206329956,2.4206329956,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Pt-Sc +mp-1186932,Sc2AgPt,-6.1742274125,-0.7820705292,0.0064503131,0.0064503131,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Pt-Sc +mp-1186791,Pu2SbAu,-9.532744665,-0.5481046900000001,0.0321441971,0.0321441971,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pu-Sb,4.0,AB2C_cF16_225_a_c_b:Au-Pu-Sb +mp-864981,Dy2AgIr,-5.83499155,-0.6138505842,0.0191359249,0.0191359249,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Ir,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Ir +mp-979979,Sm3Sb4Au3,-4.985245995,-0.9359050585,0.0,-0.0719557045,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Sb-Sm,20.0,A3B4C3_cI40_220_a_c_b:Au-Sb-Sm +mp-1209649,Sm2Sb3Au,-1.9638383283,2.2191713367,3.1854521966,3.1854521966,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Au-Sb-Sm,6.0,AB3C2_tP6_123_a_bg_g:Au-Sb-Sm +mp-1079703,SmSb2Au,-4.8470465413,-0.7844288875000001,0.0,-6.13874e-05,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Au-Sb-Sm +mp-865270,TmTaOs2,-10.01899833,-0.3219113517,0.0216588675,0.0216588675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Ta-Tm,4.0,A2BC_cF16_225_c_a_b:Os-Ta-Tm +mp-11203,Lu6FeSb2,-5.47026986,-0.5976335478,0.0,-0.0401962758,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Fe-Lu-Sb,9.0,AB6C2_hP9_189_a_fg_d:Fe-Lu-Sb +mp-1208016,Tm5Ni2Bi,-5.200567695,-0.4780752442,0.0,-0.0072042975,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Ni-Tm,16.0,AB2C5_tI32_140_a_h_cl:Bi-Ni-Tm +mp-568269,TmNiBi,-5.3683112533,-0.6694908422,0.0,-0.1049036582,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Tm,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Tm +mp-1072888,TmGeAu,-4.9257670650000005,-0.8015186389000001,0.0,-0.0570857717,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Tm,6.0,ABC_hP6_186_b_b_a:Au-Ge-Tm +mp-867321,AcInHg2,-2.3063976125,-0.4363427456,0.0,-0.0229638788,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-In,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-In +mp-1209679,PrBiRh,-6.0569041942,-0.7283366092,0.0,-0.0400591437,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Pr-Rh,12.0,ABC_oP12_62_c_c_c:Bi-Pr-Rh +mp-866226,CaTmPt2,-5.733488105,-1.0775626192,0.0251982165,0.0251982165,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pt-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-Pt-Tm +mp-1208629,Sr5Sb2As,-3.7051016278,-1.0345281089,0.0306071968,0.0306071968,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:As-Sb-Sr,32.0,AB2C5_oP32_62_c_d_3cd:As-Sb-Sr +mp-1013541,Sr3SbAs,-3.25092023,-0.479600229,0.6171049648,0.6171049648,GGA,Pm-3m,ABC3_cP5_221_a_b_c:As-Sb-Sr,5.0,ABC3_cP5_221_a_b_c:As-Sb-Sr +mp-1013561,Sr3SbAs,-3.686491058,-0.915171057,0.1815341368,0.1815341368,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Sb-Sr,5.0,ABC3_cP5_221_b_a_c:As-Sb-Sr +mp-1217660,Tb4Ni3Bi8,-4.9493340367,-0.5092148713,0.0253141287,0.0253141287,GGA,P-4m2,A8B3C4_tP15_115_ef2g_abc_2g:Bi-Ni-Tb,15.0,"Invalid WP multiplicities - A8B3C4_tP15_115_ef3g_abc_3g:Bi-Ni-Tb, expected Tb6Ni3Bi10 to be Tb4Ni3Bi8" +mp-1206686,TbNiBi,-5.44354144,-0.69187747,0.0,-0.0788560071,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Tb,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Tb +mp-1208428,Tb5Ni2Bi,-5.2754325044,-0.4538583806,0.0124731902,0.0124731902,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Ni-Tb,16.0,AB2C5_tI32_140_a_h_cl:Bi-Ni-Tb +mp-1079242,DyCdGa,-3.36555503,-0.5129641558,0.0,-0.0284589727,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Dy-Ga,9.0,ABC_hP9_189_f_g_bc:Cd-Dy-Ga +mp-973606,Nd2IrAu,-6.0903266575,-0.6781738962,0.0569893658,0.0569893658,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Nd,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Nd +mp-21014,DySnPd2,-5.62136062,-0.8773300413,0.0,-0.0304421548,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Dy-Pd-Sn +mp-30618,DySnPd,-5.5182739517,-0.9195271167,0.0,-0.0958597556,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Dy-Pd-Sn +mp-1104266,Np(Mo3Se4)2,-7.858666164,-0.7927346865,0.0949013868,0.0949013868,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Np-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Np-Se +mp-866105,Ca2HgPb,-2.60445247,-0.5975706712000001,0.0,-0.0610672875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-Pb,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-Pb +mp-1097562,CaHg2Pb,-0.7300554175,0.8513465025,1.2131500775,1.2131500775,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Pb,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Pb +mp-20879,CaHgPb,-2.3594927467,-0.3521836417,0.0762972208,0.0762972208,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Hg-Pb,6.0,ABC_hP6_194_a_c_d:Ca-Hg-Pb +mp-976627,Ge3Rh2Se3,-4.2931012509,0.5925779663,1.2724266247,1.172232868,GGA,P-1,A3B2C3_aP32_2_6i_4i_6i:Ge-Rh-Se,32.0,"Invalid WP multiplicities - A3B2C3_aP32_2_12i_7i_12i:Ge-Rh-Se, expected Ge12Rh7Se12 to be Ge3Rh2Se3" +mp-976401,Ge3Rh2Se3,-5.5655278756,-0.6798486584,0.0,-0.1001937567,GGA,R-3,A3B2C3_hR96_148_2f_cf_2f:Ge-Rh-Se,32.0,"Invalid WP multiplicities - A3B2C3_hR96_148_2f_cf_3f:Ge-Rh-Se, expected Ge6Rh4Se9 to be Ge3Rh2Se3" +mp-1203150,Tm6Al43Mo4,-4.6716434036,-0.3075420136,0.0082197849,0.0082197849,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Tm +mp-1184239,ErScZn2,-3.7140731725,-0.3591543887,0.0087577075,0.0087577075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Sc-Zn +mp-1224173,HfZn2Ga,-4.2208547275,-0.3446616594,0.0,-0.062235574,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ga-Hf-Zn,4.0,ABC2_tP4_123_a_c_e:Ga-Hf-Zn +mp-1224222,HfZn2Ga,-3.8945008875,-0.0183078194,0.32635384,0.264118266,GGA,R3m,ABC2_hR12_160_a_a_2a:Ga-Hf-Zn,4.0,ABC2_hR12_160_a_a_2a:Ga-Hf-Zn +mp-1224496,Hf4ZnGa11,-5.0182518081,-0.3684045595,0.0119975084,0.0119975084,GGA,P4mm,A11B4C_tP16_99_a2b4c_2a2b_a:Ga-Hf-Zn,16.0,"Invalid WP multiplicities - A11B4C_tP16_99_a2b8c_2a2b_a:Ga-Hf-Zn, expected Hf4ZnGa19 to be Hf4ZnGa11" +mp-974253,HoErZn2,-3.2694403175,-0.3520365925,0.000377255,0.000377255,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Zn +mp-569807,RbTiBr3,-4.444833229,-1.7378110132,0.0042974709,0.0042974709,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Rb-Ti,10.0,A3BC_hP10_194_h_c_a:Br-Rb-Ti +mp-1096377,Ti2GaTc,-4.4421325175,2.8527972327,3.33689839,3.33689839,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Tc-Ti,4.0,ABC2_oI8_71_a_b_e:Ga-Tc-Ti +mp-1187419,Ti2GaTc,-7.76086641,-0.4659366598,0.0181644975,0.0181644975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Ga-Tc-Ti +mp-1096046,TiGaTc2,-4.9095589125,3.0016575698,3.29650023,3.29650023,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Ga-Tc-Ti +mp-1187473,TiGaTc2,-8.1910851625,-0.2798686802,0.01497398,0.01497398,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Tc-Ti +mp-978533,SiHg3,-1.15418082,0.4299089612,0.4299089612,0.4299089612,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Si,4.0,A3B_tI8_139_ad_b:Hg-Si +mp-978652,SiHg3,-1.1569301737,0.4271596075,0.4271596075,0.4271596075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Si,8.0,A3B_hP8_194_h_c:Hg-Si +mp-983586,Ac2SiHg,-3.87156553,-0.3787284275,0.0,-0.1436494758,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Hg-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Hg-Si +mp-9024,LuSiAu,-5.16250884,-0.75579199,0.0,-0.0553222067,GGA,P-6m2,ABC_hP6_187_h_ab_i:Au-Lu-Si,6.0,ABC_hP6_187_h_ab_i:Au-Lu-Si +mp-7880,Sr(SiAg)2,-3.907686998,-0.266638694,0.0,-0.0627802644,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Ag-Si-Sr +mp-1226108,CoSiMo,-8.1227245258,-0.3296292142,0.0923129855,0.0923129855,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Mo-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Mo-Si, expected Co2Si2Mo3 to be CoSiMo" +mp-1226069,Co3SiMo2,-8.374697018300001,-0.3011017458,0.0,-0.0652058125,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Co-Mo-Si,12.0,A3B2C_hP12_194_h_f_a:Co-Mo-Si +mp-1095991,Zr2CdTc,-4.1949415125,2.8997909787,3.0900070453,3.0900070453,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Cd-Tc-Zr +mp-1097547,Nb2OsRu,-6.1447329375,4.031362075,4.2365950448,4.2365950448,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Os-Ru,4.0,A2BC_oI8_71_e_a_b:Nb-Os-Ru +mp-984721,BeGaCo2,-5.5319460725,-0.2859099531,0.0080290625,0.0080290625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Co-Ga,4.0,AB2C_cF16_225_a_c_b:Be-Co-Ga +mp-867284,Ho2CuRh,-5.740261455,-0.5831783850000001,0.0129418954,0.0129418954,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Rh +mp-1190262,Zr5Sb3Ru,-7.8485386683,-0.6929931783000001,0.0548084933,0.0548084933,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ru-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ru-Sb-Zr +mp-31457,ZrSbRu,-7.94788524,-0.6308504367000001,0.0,-0.0316651647,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Sb-Zr,3.0,ABC_cF12_216_c_a_b:Ru-Sb-Zr +mp-1093901,ZrSbRu2,-4.9777705225,2.828606215,3.3017440425,3.3017440425,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sb-Zr,4.0,A2BC_oI8_71_e_a_b:Ru-Sb-Zr +mp-1188015,ZrSbRu2,-8.21762385,-0.4112471125,0.061890715,0.061890715,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sb-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Sb-Zr +mp-1096111,ScMnAu2,-3.9035378425,1.6070242568,2.2211198905,2.2211198905,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mn-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Mn-Sc +mp-1194813,Rh2(Se3Br2)3,-3.9985509868,-0.7332575151,0.0,-0.0946787972,GGA,I4_1/a,A6B2C9_tI136_88_3f_f_e4f:Br-Rh-Se,68.0,A6B2C9_tI136_88_3f_f_e4f:Br-Rh-Se +mp-1187571,YbHoPt2,-5.755108205,-1.1890372575,0.0,-0.007881257,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pt-Yb,,AB2C_cF16_225_a_c_b:Ho-Pt-Yb +mp-1206926,Rb(AsRh)2,-5.611914372,-0.6064370475,0.0,-0.1609371418,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Rb-Rh,5.0,A2BC2_tI10_139_e_a_d:As-Rb-Rh +mp-1186871,Rb3Rh,-1.93002915,0.6464483719,0.6464483719,0.6464483719,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Rh,4.0,A3B_tI8_139_ad_b:Rb-Rh +mp-1186865,Rb3Rh,-1.930435715,0.6460418069,0.6460418069,0.6460418069,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Rh,4.0,A3B_cF16_225_ac_b:Rb-Rh +mp-22031,EuSnPd,-7.3006819483,-0.8185301267,0.0,-0.0499913533,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Eu-Pd-Sn +mp-1079406,Eu(SnPd)2,-6.460004715,-0.732822889,0.0,-0.0289787555,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Eu-Pd-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Eu-Pd-Sn +mp-1193516,Eu3(SnPd)2,-7.8154662236,-0.7940501193,0.0,-0.0314401043,GGA,Pbcm,A3B2C2_oP28_57_de_e_cd:Eu-Pd-Sn,28.0,A3B2C2_oP28_57_de_e_cd:Eu-Pd-Sn +mp-1209813,Sm3Sn13Ru4,-5.5784467587,-0.4095566247,0.0,-0.0125207864,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ru-Sm-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Ru-Sm-Sn +mp-1201411,SmSn3Ru,-5.670209944,-0.465869096,0.0,-0.0075716835,GGA,Pm-3n,ABC3_cP40_223_e_ac_k:Ru-Sm-Sn,40.0,ABC3_cP40_223_e_ac_k:Ru-Sm-Sn +mp-20208,Sm(Sn3Ru2)2,-6.3226491209,-0.3341375368,0.0,-0.0404478229,GGA,I-42m,A4BC6_tI22_121_i_a_ci:Ru-Sm-Sn,11.0,"Invalid WP multiplicities - A4BC6_tI22_121_i_a_2ci:Ru-Sm-Sn, expected Sm(Sn2Ru)4 to be Sm(Sn3Ru2)2" +mp-1218586,Sr3CaAg4,-2.6123995658,-0.3118615342,0.0114134274,0.0114134274,GGA,Pm,A4BC3_mP24_6_6a6b_2ab_4a5b:Ag-Ca-Sr,24.0,A4BC3_mP24_6_6a6b_2ab_4a5b:Ag-Ca-Sr +mp-1095901,SrCaAg2,-1.2811071275,1.0589442075,1.3868610997,1.3868610997,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Sr,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Sr +mp-1218380,SrCa3Ag4,-2.6973425975,-0.3177779592,0.0147808636,0.0147808636,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:Ag-Ca-Sr,8.0,A4B3C_oP8_25_abcd_abc_d:Ag-Ca-Sr +mp-1207256,Nb2GeSb2,-6.133189266,0.483538817,0.8998237811,0.8998237811,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Ge-Nb-Sb,5.0,AB2C2_tP5_123_a_g_g:Ge-Nb-Sb +mp-1018811,NbGeSb,-6.6798717167,-0.395427005,0.0,-0.0242465814,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Nb-Sb,6.0,ABC_tP6_129_a_c_c:Ge-Nb-Sb +mp-1097380,LiCa2Ag,-1.06754808,1.1206215775,1.3128602026,1.3128602026,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Li,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Li +mp-1195333,Nd2ZrSe5,-6.4287330887,-1.9832889783,0.0,-0.0141705889,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Nd-Se-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Nd-Se-Zr +mp-977575,MgSbRu2,-6.293293975,-0.2237723825,0.0098886664,0.0098886664,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-Sb,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-Sb +mp-1173113,Tb10YbSe16,-5.9926918996000005,-2.1475862358,0.0197491327,0.0197491327,GGA,P-4,A16B10C_tP27_81_4h_g2h_a:Se-Tb-Yb,,"Invalid WP multiplicities - A16B10C_tP27_81_12h_2g5h_a:Se-Tb-Yb, expected Tb24YbSe48 to be Tb10YbSe16" +mp-1186477,Pm2TlZn,-3.62099067,-0.3401228196,0.0,-0.0795562663,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Tl-Zn +mp-28947,NaSn2Cl5,-3.9114597266,-1.5884156886,0.0,-0.0093157422,GGA,Pnnm,A5BC2_oP32_58_e2gh_f_2g:Cl-Na-Sn,32.0,"Invalid WP multiplicities - A5BC2_oP32_58_e5g2h_f_3g:Cl-Na-Sn, expected NaSn3Cl10 to be NaSn2Cl5" +mp-1069676,Na3Cl2,-3.051921208,-1.5189913679,0.1687018947,0.1687018947,GGA,Cmmm,A2B3_oC10_65_h_ag:Cl-Na,5.0,A2B3_oC10_65_h_ag:Cl-Na +mp-1095060,Na3Cl2,-2.996501271,-1.4635714309,0.2241218317,0.2241218317,GGA,P4/m,A2B3_tP10_83_j_adk:Cl-Na,10.0,A2B3_tP10_83_j_adk:Cl-Na +mp-1064484,Na3Cl,-2.3727842675,-0.9187561324,0.1360521567,0.1360521567,GGA,P4/mmm,AB3_tP4_123_a_bh:Cl-Na,4.0,AB3_tP4_123_a_bh:Cl-Na +mp-1080771,NaCl7,-2.4932677075000003,-0.7104824683000001,0.0,-0.0646585363,GGA,Pm-3,A7B_cP8_200_af_b:Cl-Na,8.0,A7B_cP8_200_af_b:Cl-Na +mp-1120767,NaCl,-3.636376915,-2.0508459383,0.05877064,-0.5968098571,GGA,P6_3/mmc,AB_hP4_194_a_c:Cl-Na,12.0,AB_hP4_194_a_c:Cl-Na +mp-22851,NaCl,-3.540758715,-1.9552277383,0.15438884,-0.5011916571,GGA,Pm-3m,AB_cP2_221_a_b:Cl-Na,2.0,AB_cP2_221_a_b:Cl-Na +mp-22862,NaCl,-3.695147555,-2.1096165783,0.0,-0.6555804971,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Na,2.0,AB_cF8_225_a_b:Cl-Na +mp-1189265,NaCl3,-3.0086816825,-1.2916478641,0.0,-0.1147873592,GGA,Pnma,A3B_oP16_62_3c_c:Cl-Na,16.0,A3B_oP16_62_3c_c:Cl-Na +mp-1078558,NaCl3,-2.7686548138,-1.0516209954,0.2400268687,0.1252395096,GGA,Pm-3n,A3B_cP8_223_c_a:Cl-Na,8.0,A3B_cP8_223_c_a:Cl-Na +mp-1077015,Na2Cl,-2.6715640617,-1.173701646,0.2327094061,0.2327094061,GGA,Cmmm,AB2_oC12_65_g_ach:Cl-Na,6.0,AB2_oC12_65_g_ach:Cl-Na +mp-1077288,Na2Cl,-2.6737257367,-1.175863321,0.2305477311,0.2305477311,GGA,Imma,AB2_oI12_74_e_h:Cl-Na,6.0,AB2_oI12_74_e_h:Cl-Na +mp-1018810,Na2Cl,-2.7595625317,-1.261700116,0.1447109361,0.1447109361,GGA,P4/mmm,AB2_tP6_123_g_adh:Cl-Na,6.0,AB2_tP6_123_g_adh:Cl-Na +mp-990084,Na2Cl,-2.80013237,-1.3022699544,0.1041410978,0.1041410978,GGA,R-3m,AB2_hR9_166_a_c:Cl-Na,3.0,AB2_hR9_166_a_c:Cl-Na +mp-867882,SmCdAu2,-3.7025377225,-0.6552277487,0.0,-0.0607635971,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Sm +mp-1205933,Sm2CdAu2,-4.103346715,-0.721781509,0.004006996,0.004006996,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Cd-Sm,10.0,A2BC2_tP10_127_g_a_h:Au-Cd-Sm +mp-1206315,SmCdAu,-3.6247136367,-0.6529276717,0.0,-0.037002591,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Sm,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Sm +mp-862786,Ac2CuGe,-4.5944401625,-0.3532940275,0.0,-0.1804020392,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Ge,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Ge +mp-865953,AcYbZn2,-2.3461053925,-0.3010377656,0.0,-0.0296611356,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Yb-Zn,,ABC2_cF16_225_a_b_c:Ac-Yb-Zn +mp-865237,Tm2ZnIr,-5.4540029475,-0.6915407883,0.01624018,0.01624018,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Tm-Zn +mp-1223023,LaEuAl4,-5.478438915,-0.4492202108,0.0,-0.0044211342,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Eu-La,6.0,A4BC_cF24_216_e_a_c:Al-Eu-La +mp-1217691,Tb3DyAl8,-4.5691683133000005,-0.5296273317,0.0,-0.0064301525,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Al-Dy-Tb,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Al-Dy-Tb, expected Tb3DyAl20 to be Tb3DyAl8" +mp-1217572,TbDy3Al8,-4.5637211058,-0.5287766675,0.0,-0.0076796225,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Al-Dy-Tb,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Al-Dy-Tb, expected TbDy3Al20 to be TbDy3Al8" +mp-1217558,TbDyAl4,-4.5558815067000005,-0.5186387967,0.0105632029,0.0105632029,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-Tb,6.0,A4BC_cF24_216_e_a_c:Al-Dy-Tb +mp-1102975,EuGaPt,-7.3674368342,-0.9153597867,0.0,-0.1531435692,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Ga-Pt,12.0,ABC_oP12_62_c_c_c:Eu-Ga-Pt +mp-862676,LiHoIn2,-3.369170305,-0.3704955058,0.0096263003,0.0096263003,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Li,4.0,AB2C_cF16_225_a_c_b:Ho-In-Li +mp-1185328,LiHo2In,-3.7127353225,-0.2563792383,0.0118420025,0.0118420025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-In-Li,4.0,A2BC_cF16_225_c_a_b:Ho-In-Li +mp-865622,Li2HoIn,-3.0652954175,-0.2773108342,0.0,-0.012488505,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-In-Li,4.0,ABC2_cF16_225_a_b_c:Ho-In-Li +mp-1185399,LiPm2Sn,-4.3033362275,-0.4484413858,0.0,-0.0006219212,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Li-Pm-Sn +mp-862935,Li2PmSn,-3.6041738875,-0.4596839098,0.0,-0.0428984788,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Pm-Sn +mp-28818,RbCr5Se8,-6.431384965,-0.9161661619,0.0,-0.0090070523,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Rb-Se,14.0,"Invalid WP multiplicities - A5BC8_mC28_12_a3i_c_5i:Cr-Rb-Se, expected RbCr7Se10 to be RbCr5Se8" +mp-1206603,RbCrSe2,-5.4245666325,-1.018215508,0.0,-0.01471278,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Rb-Se,4.0,ABC2_hR12_160_a_a_2a:Cr-Rb-Se +mp-1220065,Rb3(Cr5Se8)4,-6.4995555547,-0.9018879383,0.0,-0.0102735544,GGA,P-1,A20B3C32_aP55_2_10i_ai_16i:Cr-Rb-Se,55.0,"Invalid WP multiplicities - A20B3C32_aP55_2_18i_a2i_32i:Cr-Rb-Se, expected Rb5(Cr9Se16)4 to be Rb3(Cr5Se8)4" +mp-1186842,Rb3Cr,-2.439781785,0.7088806369,0.7088806369,0.7088806369,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Rb,4.0,AB3_tI8_139_a_bd:Cr-Rb +mp-1186844,Rb3Cr,-2.4570153738,0.6916470481,0.6916470481,0.6916470481,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Rb,8.0,AB3_hP8_194_c_h:Cr-Rb +mp-975045,Rb3Cr,-2.43696409,0.7116983319,0.7116983319,0.7116983319,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Rb,4.0,AB3_cP4_221_a_c:Cr-Rb +mp-1095985,MgTiAu2,-2.5208654525,1.4900185642,2.00764553,2.00764553,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mg-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Mg-Ti +mp-1025253,Tb(TiGa2)2,-5.1838867586,-0.5356390124,0.0155908214,0.0155908214,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Tb-Ti,7.0,A4BC2_tI14_139_h_a_d:Ga-Tb-Ti +mp-866482,CsSi,-3.1616322163,-0.0012720152,0.0233021734,-0.0012720152,GGA,I4_1/acd,AB_tI64_142_ef_g:Cs-Si,32.0,AB_tI64_142_ef_g:Cs-Si +mp-1370,CsSi,-3.1849343897,-0.0245741887,0.0,-0.0245741887,GGA,P-43n,AB_cP64_218_ei_ei:Cs-Si,64.0,"Invalid WP multiplicities - AB_cP64_218_ei_2e3i:Cs-Si, expected Cs4Si11 to be CsSi" +mp-616140,Cs5SiAs3,-3.0429296389,-0.3896312939,0.0,-0.0365341515,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:As-Cs-Si,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_9c_16c_c:As-Cs-Si, expected Cs16SiAs9 to be Cs5SiAs3" +mp-573721,Cs2SiAs2,-3.760144336,-0.4532724192,0.0,-0.0999300442,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-Cs-Si,10.0,A2B2C_oI20_72_j_j_a:As-Cs-Si +mp-1183907,Cs3Si,-1.6179281950000002,0.4099530916,0.4222401859,0.4222401859,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-Si,8.0,A3B_hP8_194_h_c:Cs-Si +mp-865217,YbThRh2,-6.7045828675,-0.7840623,0.0,-0.0031738838,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Th-Yb,,A2BC_cF16_225_c_a_b:Rh-Th-Yb +mp-865595,Lu2CuRu,-6.0412511075,-0.437373545,0.0,-0.0447814788,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Ru +mp-1096515,Hf2CrIr,-6.238863,3.3626019275,3.937930549,3.937930549,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Hf-Ir,4.0,AB2C_oI8_71_a_e_b:Cr-Hf-Ir +mp-972633,SmErRu2,-7.2271611425,-0.2683836363,0.0638075791,0.0638075791,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Sm,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Sm +mp-1077290,ErCu4Au,-4.3908693733,-0.3511314583,0.0,-0.0335389908,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-Er,6.0,AB4C_cF24_216_a_e_c:Au-Cu-Er +mp-1184091,Er2CuAu,-4.7006478825,-0.57351631,0.0129328813,0.0129328813,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Er,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Er +mp-1065288,GdInAu2,-6.4970879375,-0.653195445,0.0006644911,0.0006644911,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Gd-In,4.0,A2BC_cF16_225_c_a_b:Au-Gd-In +mp-1080496,GdInAu,-7.4418687444,-0.7413060878000001,0.0,-0.0980516833,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Gd-In,9.0,ABC_hP9_189_ad_f_g:Au-Gd-In +mp-867897,ScTaRu2,-9.80956158,-0.6247986263,0.0,-0.1934949475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-Ta,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-Ta +mp-570890,SmBiRh,-6.0482428967,-0.7404485183,0.0,-0.0414625148,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Rh-Sm,12.0,ABC_oP12_62_c_c_c:Bi-Rh-Sm +mp-1187329,TbDyIr2,-7.5459086575,-0.8164033325000001,0.0,-0.0045281692,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ir-Tb,4.0,AB2C_cF16_225_a_c_b:Dy-Ir-Tb +mp-1096246,Hf2MnFe,-5.8374734475,3.549130193,3.7823592191,3.7823592191,GGA,I4/mmm,AB2C_tI8_139_a_e_b:Fe-Hf-Mn,4.0,AB2C_tI8_139_a_e_b:Fe-Hf-Mn +mp-1211420,La4CdIr,-5.3860067487,-0.4684480221,0.0,-0.0084932949,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-La,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-La +mp-1212154,La23Cd4Ir7,-5.77822029,-0.510903769,0.0,-0.0079277154,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-La,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-La +mp-1095862,La2CdIr,-3.3921905225,1.516144015,2.08304879,2.08304879,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ir-La,4.0,ABC2_oI8_71_a_b_e:Cd-Ir-La +mp-862994,Pm2CdGe,-4.25195328,-0.490202715,0.0,-0.1504960906,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ge-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-Ge-Pm +mp-1210535,Nd23Cd4Ru7,-5.4926024665,-0.2490798851,0.0,-0.0152371064,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Ru,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Ru +mp-19989,Ce2In8Co,-4.0307337527,-0.3045550305,0.0,-0.0006827027,GGA,P4/mmm,A2BC8_tP11_123_g_a_ehi:Ce-Co-In,11.0,"Invalid WP multiplicities - A2BC8_tP11_123_g_a_2eh3i:Ce-Co-In, expected Ce2In18Co to be Ce2In8Co" +mp-19961,CeIn5Co,-4.07545067,-0.2469041557,0.0,-0.0050985958,GGA,P4/mmm,ABC5_tP7_123_a_b_ci:Ce-Co-In,7.0,ABC5_tP7_123_a_b_ci:Ce-Co-In +mp-6992,Eu(NiAs)2,-6.952482058,-0.7253796640000001,0.0,-0.048395389,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Eu-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Eu-Ni +mp-16838,EuNi5As3,-6.4462916578,-0.5423982783,0.0,-0.0459118979,GGA,Cmcm,A3BC5_oC36_63_cf_c_a2f:As-Eu-Ni,18.0,"Invalid WP multiplicities - A3BC5_oC36_63_2c3f_c_a4f:As-Eu-Ni, expected EuNi9As8 to be EuNi5As3" +mp-972650,SmDyRh2,-6.8059047475,-0.7924075687000001,0.0139514675,0.0139514675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Sm +mp-567241,Pr3(AgSn)4,-3.9541107145,-0.1621808329,0.39768773,0.3537521716,GGA,Immm,A4B3C4_oI22_71_n_af_eg:Ag-Pr-Sn,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_a2f_2e2g:Ag-Pr-Sn, expected Pr5(AgSn2)4 to be Pr3(AgSn)4" +mp-1101777,Pr3(AgSn)4,-4.3517984445,-0.5598685629,0.0,-0.0439355584,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Pr-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Ag-Pr-Sn +mp-31421,PrAgSn,-4.4957115417,-0.6213670039,0.0,-0.0589076878,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Pr-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Pr-Sn +mp-1209345,Pr5AgSn3,-4.9488698522,-0.6415587030000001,0.0,-0.0077941688,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Ag-Pr-Sn,18.0,AB5C3_hP18_193_b_dg_g:Ag-Pr-Sn +mp-1223249,La2(TlSn)3,-4.104238325,-0.4806559231,0.0,-0.0016832761,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:La-Sn-Tl,8.0,A2B3C3_oP8_47_i_cl_def:La-Sn-Tl +mp-16043,Mg(As2Rh3)2,-6.3805300164,-0.5239299355,0.0089150145,0.0089150145,GGA,P-6m2,A4BC6_hP11_187_ak_c_jk:As-Mg-Rh,11.0,"Invalid WP multiplicities - A4BC6_hP11_187_a2k_c_j2k:As-Mg-Rh, expected MgAs7Rh9 to be Mg(As2Rh3)2" +mp-22326,Mg4As6Rh7,-5.6938057165,-0.6405124388,0.0,-0.0951481408,GGA,Im-3m,A6B4C7_cI34_229_e_c_ad:As-Mg-Rh,17.0,A6B4C7_cI34_229_e_c_ad:As-Mg-Rh +mp-12951,ZrGaAu,-5.54812145,-0.5982285658000001,0.0,-0.0266921375,GGA,P-6m2,ABC_hP6_187_h_i_ab:Au-Ga-Zr,6.0,ABC_hP6_187_h_i_ab:Au-Ga-Zr +mp-1095482,YbOs2,-8.0867473583,-0.0886329783,0.0,-0.0886329783,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Yb,,A2B_hP12_194_ah_f:Os-Yb +mp-980021,Yb3Os,-3.7551329725,0.206415095,0.2396524619,0.2396524619,GGA,I4/mmm,AB3_tI8_139_a_bd:Os-Yb,,AB3_tI8_139_a_bd:Os-Yb +mp-980006,Yb3Os,-3.7591515575,0.20239651,0.2356338769,0.2356338769,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Yb,,AB3_cF16_225_a_bc:Os-Yb +mp-980192,YbOs3,-8.2382651575,0.567162485,0.6336372187,0.6336372187,GGA,I4/mmm,A3B_tI8_139_ad_b:Os-Yb,,A3B_tI8_139_ad_b:Os-Yb +mp-1194864,Yb3Ge13Os4,-5.7464107487,-0.265027915,0.0132001843,0.0132001843,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Yb,,A13B4C3_cP40_223_ak_e_c:Ge-Os-Yb +mp-1190084,Yb4Ge6Os7,-6.8405522329,-0.2236009235,0.1192028875,0.1192028875,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Os-Yb,,A6B7C4_cI34_229_e_ad_c:Ge-Os-Yb +mp-978528,SmMg2Sc,-3.62593418,-0.063030345,0.015200755,0.015200755,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Sc-Sm,4.0,A2BC_cF16_225_c_a_b:Mg-Sc-Sm +mp-972479,Sm3Sc,-5.078433855,0.0436230225,0.0436230225,0.0436230225,GGA,I4/mmm,AB3_tI8_139_a_bd:Sc-Sm,4.0,AB3_tI8_139_a_bd:Sc-Sm +mp-978845,Sm3Sc,-5.083391945,0.0386649325,0.0386649325,0.0386649325,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Sm,8.0,AB3_hP8_194_c_h:Sc-Sm +mp-1185183,LaCeHg2,-3.251516325,-0.3824020775,0.0101230025,0.0101230025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-La,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-La +mp-1206197,Pr2(Sn2Au)3,-4.4256308855,-0.4764591909,0.0124170653,0.0124170653,GGA,I4mm,A3B2C6_tI22_107_ab_2a_2a2b:Au-Pr-Sn,11.0,A3B2C6_tI22_107_ab_2a_2a2b:Au-Pr-Sn +mp-867370,Pr3Sn5Au6,-4.4776309389,-0.6180689004000001,0.0,-0.0132568711,GGA,Pmmn,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Pr-Sn,28.0,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Pr-Sn +mp-1209635,Pr5Sn3Au,-5.0978325133,-0.7414851422000001,0.0046517968,0.0046517968,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Au-Pr-Sn,18.0,AB5C3_hP18_193_b_dg_g:Au-Pr-Sn +mp-31412,PrSnAu,-4.8512541017,-0.8298008983,0.0,-0.1157886087,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Pr-Sn,6.0,ABC_hP6_186_b_a_b:Au-Pr-Sn +mp-1071595,PrSnAu,-4.8058981483,-0.7844449450000001,0.0453559533,-0.0704326554,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Pr-Sn,6.0,ABC_hP6_194_c_a_d:Au-Pr-Sn +mp-862805,PrSnAu2,-4.52240601,-0.6878456075,0.0,-0.003117383,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pr-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Pr-Sn +mp-1181462,DyAgSe2,-5.05008481,-1.4422933603,0.0,-0.017019224,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Ag-Dy-Se,16.0,ABC2_oP16_19_a_a_2a:Ag-Dy-Se +mp-1095026,DyAgSe2,-5.0160413625,-1.4082499128,0.0340434475,0.0170242235,GGA,I4_1md,ABC2_tI16_109_a_a_2a:Ag-Dy-Se,8.0,ABC2_tI16_109_a_a_2a:Ag-Dy-Se +mp-1096163,MgZrHg2,-1.132368235,1.5564671175,1.7489914875,1.7489914875,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Mg-Zr,4.0,A2BC_oI8_71_e_a_b:Hg-Mg-Zr +mp-1220613,Nb6CdSe8,-6.9932814433,-1.0267473219,0.0317670827,0.0317670827,GGA,P-3,AB6C8_hP15_147_a_g_dg:Cd-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:Cd-Nb-Se +mp-11309,NbCd3,-3.072622515,0.144871065,0.144871065,0.144871065,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Nb,4.0,A3B_cP4_221_c_a:Cd-Nb +mp-867181,SmMgHg2,-2.20173572,-0.4701789912,0.0,-0.1463299971,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Sm +mp-1068002,Ca2MgPt2,-4.437688358,-0.8869390680000001,0.0,-0.0707653011,GGA,Immm,A2BC2_oI10_71_e_c_g:Ca-Mg-Pt,5.0,A2BC2_oI10_71_e_c_g:Ca-Mg-Pt +mp-1187434,Ti2FeTc,-9.105120415,-0.4497093679,0.0089890075,0.0089890075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Fe-Tc-Ti +mp-961646,TiTeOs,-7.89790363,-0.4758485167,0.248909515,0.248909515,GGA,F-43m,ABC_cF12_216_c_a_b:Os-Te-Ti,3.0,ABC_cF12_216_c_a_b:Os-Te-Ti +mp-1183220,AcRh2Pb,-5.9752410575,-0.3346316031,0.0,-0.2949788431,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Ac-Pb-Rh +mp-1186481,Pm2NiPd,-5.6173905875,-0.5021148037000001,0.0,-0.1661425737,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Pd-Pm,4.0,ABC2_cF16_225_a_b_c:Ni-Pd-Pm +mp-1096019,Sc2InOs,-4.2857373575,2.375259985,2.7797909889,2.7797909889,GGA,Immm,ABC2_oI8_71_a_b_e:In-Os-Sc,4.0,ABC2_oI8_71_a_b_e:In-Os-Sc +mp-1184750,HoErCu2,-4.59592073,-0.258785475,0.0112172825,0.0112172825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Er-Ho,4.0,A2BC_cF16_225_c_a_b:Cu-Er-Ho +mp-1186508,Pm2InSn,-4.611191745,-0.5456066875,0.0,-0.0923183908,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:In-Pm-Sn +mp-861875,LiHf2Re,-8.7742090925,-0.2072520646,0.0,-0.0180654032,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Li-Re,4.0,A2BC_cF16_225_c_a_b:Hf-Li-Re +mp-1093818,LiCd2Ir,-1.5263162925,1.6219678492,1.7995322767,1.7995322767,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Ir-Li,4.0,A2BC_oI8_71_e_a_b:Cd-Ir-Li +mp-631450,BeGe2Te,-3.5182233775,0.5139702396,0.79915121,0.79915121,GGA,F-43m,AB2C_cF16_216_a_bc_d:Be-Ge-Te,4.0,AB2C_cF16_216_a_bc_d:Be-Ge-Te +mp-1214964,Ca21(Cd2Bi9)2,-3.4659246266,-0.7929487927000001,0.0,-0.031124672,GGA,C2/m,A18B21C4_mC172_12_gh8i4j_3i9j_2ij:Bi-Ca-Cd,86.0,A18B21C4_mC172_12_gh8i4j_3i9j_2ij:Bi-Ca-Cd +mp-30446,Ca9Cd4Bi9,-3.2346572048,-0.6752771989,0.0,-0.0071740141,GGA,Pbam,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Ca-Cd,44.0,"Invalid WP multiplicities - A9B9C4_oP44_55_a2g2h_cg7h_2g:Bi-Ca-Cd, expected Ca17Cd4Bi9 to be Ca9Cd4Bi9" +mp-862889,PmCdAg2,-3.1227996525,-0.2881636302,0.0,-0.0513956308,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Pm +mp-639892,GdMn12,-9.5234529169,0.0165706019,0.0165706019,0.0165706019,GGA,I4/mmm,AB12_tI26_139_a_fij:Gd-Mn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_3f3i2j:Gd-Mn, expected GdMn32 to be GdMn12" +mp-1076939,GdMn2,-10.58173727,0.2183136714,0.2183136714,0.2183136714,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Mn,6.0,AB2_cF24_227_a_d:Gd-Mn +mp-1194710,Gd6Mn23,-9.2523240655,0.9264030089,0.9264030089,0.9264030089,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Gd-Mn,29.0,A6B23_cF116_225_e_ad2f:Gd-Mn +mp-1225348,GdEr3Mn8,-7.7966985742,0.6262515097,0.6334990711,0.6334990711,GGA,P3m1,A3BC8_hP12_156_a2b_a_2c2d:Er-Gd-Mn,12.0,A3BC8_hP12_156_a2b_a_2c2d:Er-Gd-Mn +mp-976591,GdMn3,-8.4775138412,1.9130281878,1.9130281878,1.9130281878,GGA,P6_3/mmc,AB3_hP8_194_c_h:Gd-Mn,8.0,AB3_hP8_194_c_h:Gd-Mn +mp-1196608,Nd6TlFe13,-7.0952256158,-0.0411354422,0.001375039,0.001375039,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Tl,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Tl +mp-861501,AgHgPd2,-3.5175372475,-0.1435372504,0.0,-0.0239977567,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Pd,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Pd +mp-1190234,Er8In3Co,-4.6757969338,-0.3503703117,0.0,-0.0290095998,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Co-Er-In,24.0,AB8C3_hP24_186_b_ab2c_c:Co-Er-In +mp-1213258,Er6InCo2,-5.2161675933,-0.2856529067,0.0,-0.0175801636,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Er-In,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Er-In +mp-12872,ErIn5Co,-3.8472205171,-0.2137269093,0.0064924598,0.0064924598,GGA,P4/mmm,ABC5_tP7_123_b_a_ci:Co-Er-In,7.0,ABC5_tP7_123_b_a_ci:Co-Er-In +mp-1025066,ErInCo4,-6.116440385,-0.1576614317,0.0307176062,0.0307176062,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Er-In,6.0,A4BC_cF24_216_e_a_c:Co-Er-In +mp-1006283,Er3(In2Co)2,-4.5547158367,-0.2295461767,0.14308668,0.1230695077,GGA,P-6,A2B3C4_hP9_174_ad_j_ek:Co-Er-In,9.0,A2B3C4_hP9_174_ad_j_ek:Co-Er-In +mp-1205952,Er3(In2Co)2,-4.6978025167,-0.3726328567,0.0,-0.0200171723,GGA,P-6,A2B3C4_hP9_174_ad_k_ej:Co-Er-In,9.0,A2B3C4_hP9_174_ad_k_ej:Co-Er-In +mp-21628,Mn6Ni16As7,-6.4264032183,-0.2171581332,0.0046033411,0.0046033411,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:As-Mn-Ni,29.0,"Invalid WP multiplicities - A7B6C16_cF116_225_ad_e_3f:As-Mn-Ni, expected Mn6Ni24As7 to be Mn6Ni16As7" +mp-1103634,MnNiAs,-6.7827839658,-0.2490271735,0.0075213731,-0.0163627368,GGA,Pnma,ABC_oP12_62_c_c_c:As-Mn-Ni,12.0,ABC_oP12_62_c_c_c:As-Mn-Ni +mp-1079845,MnNiAs,-6.7903053389,-0.2565485465,0.0,-0.0238841099,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Mn-Ni,9.0,ABC_hP9_189_ad_f_g:As-Mn-Ni +mp-510613,MnNiAs,-2.9966760367000003,3.5370807557,3.7936293022,3.7697451923,GGA,F-43m,ABC_cF12_216_a_b_c:As-Mn-Ni,3.0,ABC_cF12_216_a_b_c:As-Mn-Ni +mp-1217098,Ti4CuAg,-6.5062964317,-0.0873413083,0.0001270667,0.0001270667,GGA,P4/mmm,ABC4_tP6_123_a_d_gh:Ag-Cu-Ti,6.0,"Invalid WP multiplicities - ABC4_tP6_123_a_d_g2h:Ag-Cu-Ti, expected Ti6CuAg to be Ti4CuAg" +mp-27388,Ba(SiNi)2,-5.393574134,-0.527597262,0.0,-0.0472653389,GGA,Cmcm,AB2C2_oC20_63_c_e_f:Ba-Ni-Si,10.0,AB2C2_oC20_63_c_e_f:Ba-Ni-Si +mp-1228480,Ba8Si43Ni3,-5.1418299172,-0.2162579756,0.0,-0.0184115969,GGA,R32,A8B3C43_hR162_155_cde_d_2ce6f:Ba-Ni-Si,54.0,"Invalid WP multiplicities - A8B3C43_hR162_155_cde_d_4ce27f:Ba-Ni-Si, expected Ba8Si173Ni3 to be Ba8Si43Ni3" +mp-29819,Ba2Si3Ni,-4.7867290556,-0.4710556139,0.0,-0.0368366276,GGA,P-62m,A2BC3_hP18_189_2f_ac_gk:Ba-Ni-Si,18.0,A2BC3_hP18_189_2f_ac_gk:Ba-Ni-Si +mp-1186596,PmGdCu2,-6.9351856175,-0.1789161419,0.0069304081,0.0069304081,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Gd-Pm,4.0,A2BC_cF16_225_c_a_b:Cu-Gd-Pm +mp-863734,ErPaTc2,-8.8922387875,-0.1913234475,0.0,-0.0213377044,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Er-Pa-Tc +mp-1203027,Ga40AgMo8,-4.4449804955,-0.1445397244,0.0,-0.0109593398,GGA,R-3,AB40C8_hR147_148_b_ad6f_cf:Ag-Ga-Mo,49.0,AB40C8_hR147_148_b_ad6f_cf:Ag-Ga-Mo +mp-1187615,YbHoCd2,-2.34681387,-0.3548647025,0.00226014,0.00226014,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ho-Yb,,A2BC_cF16_225_c_a_b:Cd-Ho-Yb +mp-1219496,Sb2TeRu,-5.4888619063,-0.3199341779,0.1059030277,0.1059030277,GGA,Immm,AB2C_oI32_71_k_lm_n:Ru-Sb-Te,16.0,AB2C_oI32_71_k_lm_n:Ru-Sb-Te +mp-1102857,SbTeRu,-6.0429880433,-0.5274181522,0.0,-0.0270892408,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ru-Sb-Te,12.0,ABC_mP12_14_e_e_e:Ru-Sb-Te +mp-1183809,Ce2HgPb,-4.3078077425,-0.3371813062,0.0101105504,0.0101105504,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Hg-Pb,4.0,A2BC_cF16_225_c_a_b:Ce-Hg-Pb +mp-1192634,Ba(LuTe2)2,-5.1000140211,-1.7379997992,0.0,-0.0266692932,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Lu-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Lu-Te +mp-1187877,Yb2AgSb,-3.29441135,-0.7842178992000001,0.0104894254,0.0104894254,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Sb-Yb,,ABC2_cF16_225_a_b_c:Ag-Sb-Yb +mp-9440,YbAgSb,-3.6208897667,-0.7871679256,0.0,-0.1194016615,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Sb-Yb,,ABC_oP12_62_c_c_c:Ag-Sb-Yb +mp-1187170,SrAcGa2,-3.36312805,-0.3964129235,0.0,-0.0103886427,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ga-Sr,4.0,AB2C_cF16_225_a_c_b:Ac-Ga-Sr +mp-1077518,ErCu4Pd,-4.73001152,-0.37260697,0.0,-0.0389593956,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Er-Pd,6.0,A4BC_cF24_216_e_a_c:Cu-Er-Pd +mp-1184092,Er2CuPd,-5.20928185,-0.605650325,0.0,-0.0034653525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Pd,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Pd +mp-9592,Yb(MnAs)2,-6.339567,-0.5031918652,0.0396529493,0.0396529493,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Mn-Yb,,A2B2C_hP5_164_d_d_a:As-Mn-Yb +mp-864886,Dy2NiIr,-6.6137597725,-0.6557236375000001,0.0253018959,0.0253018959,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Ni +mp-866714,La3NiBr3,-7.7965840418,-4.1898350439,0.0,-2.6383132732,GGA,I4_122,A3B3C_tI56_98_dg_eg_d:Br-La-Ni,28.0,A3B3C_tI56_98_dg_eg_d:Br-La-Ni +mp-582242,La8Ni4Br7,-5.2729427142,-1.4055847211,2.2437647629,2.2437647629,GGA,C2/m,A7B8C4_mC38_12_a3i_4i_2i:Br-La-Ni,19.0,"Invalid WP multiplicities - A7B8C4_mC38_12_a3i_7i_3i:Br-La-Ni, expected La14Ni6Br7 to be La8Ni4Br7" +mp-1096441,Ga2CoRh,-3.1959909825,1.936213445,2.4171945975,2.4171945975,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Ga-Rh,4.0,AB2C_oI8_71_a_e_b:Co-Ga-Rh +mp-1097340,GaCoRh2,-3.7323236725,2.4839337169,2.8239134937,2.8239134937,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ga-Rh,4.0,ABC2_oI8_71_a_b_e:Co-Ga-Rh +mp-1188811,Lu4Ge6Os7,-7.7591906329,-0.4407470318,0.0,-0.0027828579,GGA,Im-3m,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Os,17.0,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Os +mp-1201905,LuGe2Os,-6.7717489077,-0.5231554927000001,0.0,-0.0628625101,GGA,Pbam,A2BC_oP48_55_2g2hi_gi_ei:Ge-Lu-Os,48.0,A2BC_oP48_55_2g2hi_gi_ei:Ge-Lu-Os +mp-1203141,Lu3Ge13Os4,-6.2389186942,-0.3103345245,0.0160647024,0.0160647024,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Lu-Os,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Lu-Os +mp-865662,Yb2AgPb,-2.91986415,-0.5137592417,0.0,-0.0308324225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pb-Yb,,ABC2_cF16_225_a_b_c:Ag-Pb-Yb +mp-1187818,YbAg2Pb,-3.0518773625,-0.3225355233,0.0,-0.0064096204,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pb-Yb,,A2BC_cF16_225_c_a_b:Ag-Pb-Yb +mp-1215789,YbAgPb,-3.0180076417,-0.3230705239,0.0755151617,0.0755151617,GGA,P-3m1,ABC_hP6_164_d_d_c:Ag-Pb-Yb,,ABC_hP6_164_d_d_c:Ag-Pb-Yb +mp-865122,NaNdTl2,-2.9724835225,-0.2684937677,0.0080659052,0.0080659052,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Nd-Tl +mp-984696,Hf(TlTe)4,-4.227344,-0.6739012011000001,0.0,-0.011960347,GGA,R-3,AB4C4_hR81_148_ac_2f_2f:Hf-Te-Tl,27.0,AB4C4_hR81_148_ac_2f_2f:Hf-Te-Tl +mp-1071252,LaGa2Rh3,-6.3286196283,-0.8144325017,0.0,-0.11450869,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Ga-La-Rh,6.0,A2BC3_hP6_191_c_a_g:Ga-La-Rh +mp-1211591,La3(GaRh)2,-5.8490199507,-0.7643300793000001,0.0,-0.0400225536,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ga-La-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ga-La-Rh +mp-1104245,Yb3Ga8Rh3,-4.2817217914,-0.643399175,0.0185793744,0.0185793744,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Yb,,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Yb +mp-1207626,Yb2(Ga3Rh)3,-4.4058553811,-0.6612122116,0.0,-0.0549374585,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Yb,,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Yb +mp-865757,YbGaRh2,-5.55375377,-0.7296737594,0.0,-0.086374015,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Yb,,AB2C_cF16_225_a_c_b:Ga-Rh-Yb +mp-1225323,Dy2InAg,-4.0887680525,-0.3893146992,0.0083136875,0.00225198,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Dy-In,4.0,AB2C_tP4_123_a_h_b:Ag-Dy-In +mp-1184170,Dy2InAg,-4.09708174,-0.3976283867,0.0,-0.0060617075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-In,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-In +mp-20898,DyInAg2,-3.624757635,-0.3688619908,0.0,-0.0543361092,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-In,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-In +mp-1222766,Mn2Ge3Pd4,-6.2514987157,-0.3723163391,0.0313822823,0.0313822823,GGA,Pm,A3B2C4_mP72_6_12a12b_10a6b_14a18b:Ge-Mn-Pd,72.0,A3B2C4_mP72_6_12a12b_10a6b_14a18b:Ge-Mn-Pd +mp-505781,MnGePd2,-6.3609265725,-0.3247248807,0.0793762639,0.0793762639,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Pd +mp-1192666,MnGe2Pd3,-6.0796774825,-0.4217247438,0.0157496038,0.0157496038,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ge-Mn-Pd,24.0,A2BC3_oP24_62_2c_c_3c:Ge-Mn-Pd +mp-610972,MnGePd,-6.6130514711,-0.2914098188,0.0447373504,0.0447373504,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Mn-Pd,9.0,ABC_hP9_189_ad_f_g:Ge-Mn-Pd +mp-1189707,Nd2Zn5Pb,-2.8305291287000003,-0.3870716306,0.0,-0.0172050209,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:Nd-Pb-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:Nd-Pb-Zn +mp-1213424,Er6Ta4Al43,-4.7524251619,-0.3015348964,0.0,-0.0154007794,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Ta +mp-1212359,Ho2(Al3Pd)3,-4.8576985104,-0.6852238218000001,0.0035947163,0.0035947163,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Ho-Pd,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Ho-Pd +mp-1212310,Ho4(Al8Pd3)3,-4.8945608462,-0.7096313411,0.0,-0.0309404474,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Ho-Pd,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Ho-Pd +mp-1102737,HoAlPd,-5.3902104675,-0.8875882975,0.0,-0.0925378757,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ho-Pd,12.0,ABC_oP12_62_c_c_c:Al-Ho-Pd +mp-1224066,Ho(MnAl)6,-6.5566804623,-0.2468377237,0.0389141019,0.0389141019,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Ho-Mn,13.0,A6BC6_oI26_71_efg_a_hk:Al-Ho-Mn +mp-1223751,HoMnAl,-6.0747397983,-0.244739801,0.031350079,0.031350079,GGA,Imma,ABC_oI12_74_a_e_c:Al-Ho-Mn,6.0,ABC_oI12_74_a_e_c:Al-Ho-Mn +mp-1103844,Ho(MnAl2)4,-5.8190380138,-0.342493654,0.0,-0.0133005746,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ho-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-Ho-Mn +mp-1212458,Ho6Mn4Al43,-4.5198014178,-0.2707018881,0.0131962339,0.0131962339,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Mn,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Mn +mp-1205465,Ce4Mg7Ge6,-4.1816921288,-0.4950754171,0.0,-0.0152785782,GGA,C2/m,A4B6C7_mC34_12_2i_3i_a3i:Ce-Ge-Mg,17.0,A4B6C7_mC34_12_2i_3i_a3i:Ce-Ge-Mg +mp-22511,Ce2MgGe2,-5.196363956,-0.653861142,0.0,-0.0490207323,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Ge-Mg,10.0,A2B2C_tP10_127_h_g_a:Ce-Ge-Mg +mp-1192858,Ce5(MgGe)8,-4.2881940738,-0.5047698350000001,0.0,-0.0019975738,GGA,C2/m,A5B8C8_mC42_12_a2i_4i_4i:Ce-Ge-Mg,21.0,A5B8C8_mC42_12_a2i_4i_4i:Ce-Ge-Mg +mp-1192839,Ce6Mg23Ge,-2.6382604923,-0.0706603612,0.0027140065,0.0027140065,GGA,Fm-3m,A6BC23_cF120_225_e_a_bd2f:Ce-Ge-Mg,30.0,A6BC23_cF120_225_e_a_bd2f:Ce-Ge-Mg +mp-1215711,Zr(MnAl)6,-6.8845423438,-0.2696771621,0.0259107039,0.0259107039,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Mn-Zr,13.0,A6B6C_oI26_71_efg_hk_a:Al-Mn-Zr +mp-1215704,Zr3Mn8Al,-8.7610934467,-0.2040267753,0.0,-0.0180843915,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Zr,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Zr +mp-1215277,ZrMnAl,-7.5070451508,-0.3552812335,0.0073376817,0.0073376817,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Mn-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Mn-Zr, expected Zr3(MnAl)2 to be ZrMnAl" +mp-1187046,Sm(Mg4Al3)4,-2.66070999,-0.0651935453,0.0191647404,0.0191647404,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Sm,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Sm, expected SmMg49Al48 to be Sm(Mg4Al3)4" +mp-972591,Sm(Mg4Al3)4,-2.66587029,-0.0703538453,0.0140044404,0.0140044404,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Sm,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Sm, expected Sm(Mg4Al)12 to be Sm(Mg4Al3)4" +mp-867894,Sm2MgAl,-3.9595432975,-0.26378626,0.0,-0.0116373159,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Sm,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Sm +mp-1216908,TmScSi,-5.8243065056,-0.4130989861,0.222892873,0.222892873,GGA,Amm2,ABC_oC36_38_df_abce_abde:Sc-Si-Tm,18.0,ABC_oC36_38_df_abce_abde:Sc-Si-Tm +mp-1208051,Tm2Sc3Si4,-6.3074504533,-0.7907448665,0.0,-0.0245855753,GGA,Pnma,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Tm,36.0,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Tm +mp-1187674,Tm3Sc,-4.9249946225,0.0149992213,0.0149992213,0.0149992213,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Tm,8.0,AB3_hP8_194_c_h:Sc-Tm +mp-13472,HfSiRh,-8.6503839242,-1.0681122808,0.0,-0.2411133357,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Rh-Si,12.0,ABC_oP12_62_c_c_c:Hf-Rh-Si +mp-1186577,PmEuRh2,-7.9488617775,-0.5148218119,0.0,-0.1756224594,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Eu-Pm-Rh +mp-1184532,GdTmIr2,-9.8905614275,-0.8333549217,0.0,-0.1609215253,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ir-Tm,4.0,AB2C_cF16_225_a_c_b:Gd-Ir-Tm +mp-1186624,PmGdIn2,-6.5622750425,-0.4797670369,0.0,-0.0876377837,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-In-Pm,4.0,AB2C_cF16_225_a_c_b:Gd-In-Pm +mp-1184831,HoTmRu2,-7.28899416,-0.3872318167,0.0,-0.006590985,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Tm +mp-1189297,Cs3NiCl5,-3.8247728133,-1.857103136,0.0216311328,0.0216311328,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Cl-Cs-Ni,18.0,A5B3C_tI36_140_cl_ah_b:Cl-Cs-Ni +mp-22950,CsNiCl3,-4.021991391,-1.5777615846000002,0.0,-0.048842235,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Ni,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Ni +mp-975896,PrNdTl2,-3.963572165,-0.3949872948,0.0,-0.00216108,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Nd-Pr-Tl +mp-1096391,Ba2TlPd,-1.9894909375,0.8556277717,1.2747110059,1.2747110059,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Pd-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Pd-Tl +mp-961712,TaTlPt,-6.8052676333,-0.0414162678,0.3319934289,0.3319934289,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Ta-Tl,3.0,ABC_cF12_216_c_a_b:Pt-Ta-Tl +mp-976590,HoTlRh2,-5.9759418325,-0.5575248933,0.0065589329,0.0065589329,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Tl +mp-1185512,LuCdPt2,-5.265597455,-0.869070725,0.0142215058,0.0142215058,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Lu-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Lu-Pt +mp-1210803,Lu4CdPt,-4.8104899758,-0.6308524492,0.0,-0.0209927437,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Lu-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Lu-Pt +mp-980201,TmHfIr2,-8.937133685,-0.9096604817,0.04331397,0.04331397,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Tm,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Tm +mp-1227348,Be4NbMo,-6.2407789342,-0.2566778325,0.0091626152,0.0091626152,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Be-Mo-Nb,12.0,A4BC_hP12_164_abi_d_d:Be-Mo-Nb +mp-1224988,Gd2InAg,-8.84184609,-0.4077250367,0.0,-0.014463155,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Gd-In,4.0,AB2C_tP4_123_a_h_b:Ag-Gd-In +mp-30332,BaAgBi,-3.1716878367,-0.3076811456,0.3670190733,0.2865229232,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ag-Ba-Bi,6.0,ABC_hP6_194_a_c_d:Ag-Ba-Bi +mp-1205318,BaAgBi,-3.53870691,-0.6747002189,0.0,-0.0804961502,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Ba-Bi,6.0,ABC_hP6_194_c_a_d:Ag-Ba-Bi +mp-1183207,Ba2AgBi,-3.300240775,-0.6724920217,0.0169905275,0.0169905275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ba-Bi,4.0,AB2C_cF16_225_a_c_b:Ag-Ba-Bi +mp-1187823,Tm2InHg,-3.439678165,-0.4379194296,0.0049410475,0.0049410475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Tm,4.0,ABC2_cF16_225_a_b_c:Hg-In-Tm +mp-3346,HoZrSb,-6.6056591217000005,-0.8526222083,0.0,-0.04360793,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ho-Sb-Zr,6.0,ABC_tI12_139_e_e_c:Ho-Sb-Zr +mp-1184263,Eu2TlHg,-6.2954841325,-0.5004023546,0.0,-0.0820330065,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-Tl +mp-1184250,EuTlHg2,-3.6838164525,-0.3770650333,0.0,-0.0006307025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Tl,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Tl +mp-653981,Zr6NiCl15,-5.9130524095,-2.0587619386,0.0,-0.001738312,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Cl-Ni-Zr,22.0,"Invalid WP multiplicities - A15BC6_cI44_229_3b3h_a_e:Cl-Ni-Zr, expected Zr6NiCl45 to be Zr6NiCl15" +mp-1208535,Tb2(Ga3Ir)3,-5.1810043843,-0.6783687455,0.0,-0.1182024123,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Tb +mp-1103954,Tb3Ga8Ir3,-5.2801607186,-0.6627915029,0.0271483467,0.0271483467,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Tb,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Tb +mp-1211161,Lu2(GePt3)3,-6.3197716604,-0.78040134,0.0395070489,0.0395070489,GGA,C2/c,A3B2C9_mC56_15_cf_f_e4f:Ge-Lu-Pt,28.0,A3B2C9_mC56_15_cf_f_e4f:Ge-Lu-Pt +mp-13580,LuGePt,-6.1911991608,-1.1194952625,0.0,-0.2194572563,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Lu-Pt,12.0,ABC_oP12_62_c_c_c:Ge-Lu-Pt +mp-1217735,Tb5(Sn3Rh)6,-5.3522693148,-0.5408910007000001,0.0233795868,0.0233795868,GGA,F-43m,A6B18C5_cF116_216_g_abeh_ce:Rh-Sn-Tb,29.0,A6B18C5_cF116_216_g_abeh_ce:Rh-Sn-Tb +mp-864600,TbSnRh2,-6.6207654225,-0.7776269987000001,0.0,-0.0499547936,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Tb,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Tb +mp-1084759,TbSnRh,-6.2310667511,-0.8949848094,0.0,-0.1306014329,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Tb,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-Tb +mp-1189471,Tb2Sn5Rh3,-5.8514248460000005,-0.7104733375000001,0.0,-0.0366832864,GGA,Cmc2_1,A3B5C2_oC40_36_3a_5a_2a:Rh-Sn-Tb,20.0,A3B5C2_oC40_36_3a_5a_2a:Rh-Sn-Tb +mp-1206643,NdMgTl,-3.2653714211,-0.3550145447,0.0,-0.0850679578,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Nd-Tl,9.0,ABC_hP9_189_f_g_bc:Mg-Nd-Tl +mp-864602,Nd2MgTl,-3.6344702625,-0.2596657471,0.0070344958,0.0070344958,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Nd-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Nd-Tl +mp-975184,NdMgTl2,-3.0242424075,-0.2508139635,0.0454916136,0.0454916136,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Nd-Tl +mp-1097236,Li2SnPb,-1.6882661225,1.1967500421,1.4956229175,1.4956229175,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Pb-Sn,4.0,A2BC_oI8_71_e_a_b:Li-Pb-Sn +mp-1184991,Li2SnPb,-3.1827167225,-0.2977005579,0.0011723175,0.0011723175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Sn +mp-1093900,Zn2AgPt,-1.5996600975000002,1.2561340383,1.6063342508,1.6063342508,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Pt-Zn +mp-1185549,Mg149Br,-1.6301534105000002,-0.030188372,0.0,-0.0109912161,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Br-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l4m16n8o:Br-Mg, expected Mg303Br to be Mg149Br" +mp-29483,MgInBr3,-3.3349938225,-1.5327840685,0.0112514615,0.0112514615,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-In-Mg,20.0,A3BC_oP20_62_3c_c_c:Br-In-Mg +mp-978272,Mg3Br,-1.8671856325,-0.2787185125,0.448113734,0.448113734,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Mg,4.0,AB3_tI8_139_a_bd:Br-Mg +mp-30034,MgBr2,-3.4884944967,-1.9197155933,0.0,-1.4991689237,GGA,P-3m1,A2B_hP3_164_d_a:Br-Mg,3.0,A2B_hP3_164_d_a:Br-Mg +mp-1207230,MgBr6,-2.0451609743,-0.4853823986,0.3373528557,0.3373528557,GGA,Cmmm,A6B_oC14_65_kp_a:Br-Mg,7.0,A6B_oC14_65_kp_a:Br-Mg +mp-1220338,Nd(ZnGa)2,-3.136751024,-0.4679856845,0.0,-0.0103315755,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ga-Nd-Zn,5.0,A2BC2_tI10_139_d_a_e:Ga-Nd-Zn +mp-976344,Nd2ZnGa,-3.9020407725,-0.4460071481,0.0054500625,0.0054500625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Nd-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Nd-Zn +mp-1184827,HoTmAl2,-4.5274143250000005,-0.3900653367,0.0208971284,0.0208971284,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ho-Tm,4.0,A2BC_cF16_225_c_a_b:Al-Ho-Tm +mp-1101978,PrAlAu,-4.6595388217,-0.7260842933,0.0,-0.0267284004,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Pr,12.0,ABC_oP12_62_c_c_c:Al-Au-Pr +mp-11034,PrAl7Au3,-4.2281531727,-0.5171002123,0.0,-0.0314942849,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Pr,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Pr, expected PrAl13Au3 to be PrAl7Au3" +mp-1091396,Pr(AlAu)2,-4.5130977340000005,-0.7491334510000001,0.0,-0.1274117113,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Pr,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Pr +mp-13536,TbZnNi,-4.3475681367,-0.4561526733,0.0,-0.0334346844,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Tb-Zn,9.0,ABC_hP9_189_ad_f_g:Ni-Tb-Zn +mp-13535,Tb2ZnNi2,-4.875622554,-0.45787272,0.0,-0.009182427,GGA,Immm,A2B2C_oI10_71_e_g_c:Ni-Tb-Zn,5.0,A2B2C_oI10_71_e_g_c:Ni-Tb-Zn +mp-510321,Zr5AlSn3,-7.102667895,-0.6012462789,0.0,-0.0324492367,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Al-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:Al-Sn-Zr +mp-3106,Np(SiRu)2,-9.053784284,-0.5843401198,0.0,-0.0934568627,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Np-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Np-Ru-Si +mp-1219304,Si6NiMo9,-8.8581341106,-0.36170312,0.0281506377,0.0281506377,GGA,I-42m,A9BC6_tI32_121_aj_b_ci:Mo-Ni-Si,16.0,A9BC6_tI32_121_aj_b_ci:Mo-Ni-Si +mp-1219305,Si3NiMo12,-9.7426040819,-0.2298608263,0.0216624411,0.0216624411,GGA,Pmmm,A12BC3_oP16_47_2knpw_a_bl:Mo-Ni-Si,16.0,"Invalid WP multiplicities - A12BC3_oP16_47_2j2l4m2v_b_fn:Mo-Ni-Si, expected Si3NiMo24 to be Si3NiMo12" +mp-1219330,SiNi3Mo2,-7.6741582333,-0.2646535183,0.0701618675,0.0292612033,GGA,Amm2,A2B3C_oC24_38_2c_abcd_e:Mo-Ni-Si,12.0,"Invalid WP multiplicities - A2B3C_oC24_38_3c_abcd_e:Mo-Ni-Si, expected Si(NiMo)3 to be SiNi3Mo2" +mp-1219280,SiNi3Mo2,-7.744320100799999,-0.3348153858,0.0,-0.0409006642,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Mo-Ni-Si,12.0,A2B3C_hP12_194_f_h_a:Mo-Ni-Si +mp-1219282,SiNiMo,-7.6746579875,-0.3242897142,0.1156755058,0.1156755058,GGA,Amm2,ABC_oC24_38_2c_abd_ce:Mo-Ni-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_abd_ce:Mo-Ni-Si, expected Si2Ni2Mo3 to be SiNiMo" +mp-1097531,BeCrPt2,-4.158213025,2.2254687188,2.514170126,2.514170126,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cr-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Cr-Pt +mp-1096492,Be2CrPt,-3.4640442675,2.3367073625,2.663739587,2.663739587,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cr-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Cr-Pt +mp-619747,Na3GdBr6,-4.805092989,-2.068906179,0.0155899265,0.0155899265,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Br-Gd-Na,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_10e_a_b2e:Br-Gd-Na, expected Na5GdBr20 to be Na3GdBr6" +mp-1173681,Na3GdBr6,-4.817795183,-2.081608373,0.0028877325,0.0028877325,GGA,R3,A6BC3_hR30_146_2b_a_3a:Br-Gd-Na,10.0,A6BC3_hR30_146_2b_a_3a:Br-Gd-Na +mp-1184631,Ho2AgRu,-5.696317955,-0.3783738842,0.0,-0.0242469377,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-Ru +mp-4652,MnRh2Pb,-7.00622896,-0.1054094345,0.023400835,0.023400835,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Mn-Pb-Rh +mp-1187370,TbPmIr2,-7.465508265,-0.7000640694,0.0,-0.0860182806,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pm-Tb,4.0,A2BC_cF16_225_c_a_b:Ir-Pm-Tb +mp-866131,Lu2TlAg,-3.8838397375,-0.32456469,0.0,-0.0332811406,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Tl +mp-972653,SmHoTl2,-3.8577847225,-0.3512143979,0.0,-0.0014568575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Sm-Tl +mp-569350,La5Sn3Br,-5.2960411522,-1.0447323278,0.0,-0.0593783444,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Br-La-Sn,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_3d3g_g:Br-La-Sn, expected La15Sn3Br to be La5Sn3Br" +mp-972993,LiSmAu2,-3.975933565,-0.6821153146000001,0.0065380962,0.0065380962,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Li-Sm +mp-865866,LiZrPt2,-6.522964345,-0.8732418108000001,0.0,-0.0003891982,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Zr,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Zr +mp-1096455,LiZr2Pt,-3.54486421,2.7240001517,3.2654714892,3.2654714892,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Li-Pt-Zr +mp-510594,Ho5CoSb2,-5.5362785356,-0.7514829575,0.0,-0.0370198142,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Co-Ho-Sb,32.0,AB5C2_oP32_62_c_3cd_d:Co-Ho-Sb +mp-1096424,Zr2CuPt,-4.0423704425,2.77406487,3.3905063296,3.3905063296,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Pt-Zr +mp-1212503,Ho5NiBi2,-5.1281503447,-0.5815054334,0.0,-0.0058130049,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Bi-Ho-Ni,32.0,A2B5C_oP32_62_d_3cd_c:Bi-Ho-Ni +mp-1189131,Ho5Ni2Bi,-5.2563197781,-0.4672189231,0.0047000036,0.0047000036,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Ho-Ni,16.0,AB5C2_tI32_140_a_cl_h:Bi-Ho-Ni +mp-1018139,HoNiBi,-5.4177149867,-0.6833700933,0.0,-0.0918828346,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ho-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Ho-Ni +mp-1207558,YbGa2Ag,-3.0927048575,-0.4856157754,0.0,-0.0260369642,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-Ga-Yb,,AB2C_oP16_62_c_2c_c:Ag-Ga-Yb +mp-863744,Ca2PdAu,-3.8603753225,-0.74413443,0.0,-0.0012814999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ca-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Ca-Pd +mp-1096025,CaPdAu2,-2.482934455,0.9503769675,1.503226475,1.503226475,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Pd,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Pd +mp-865089,NaCeTl2,-3.1960864075,-0.2008612221,0.0,-0.0027612908,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Ce-Na-Tl +mp-1184643,Ho2InHg,-3.512432595,-0.4573871362,0.0033112325,0.0033112325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Ho-In,4.0,AB2C_cF16_225_a_c_b:Hg-Ho-In +mp-977421,TbGaRh2,-6.393068585,-0.7952991194,0.0,-0.029023315,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Tb +mp-1208547,Tb2(Ga3Rh)3,-4.9015464675,-0.714795038,0.0,-0.0886792862,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Tb +mp-1104593,Tb3Ga8Rh3,-5.0121045821,-0.7106195757,0.0115052044,0.0115052044,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Tb,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Tb +mp-1224823,GaGePt6,-5.8939796388,-0.3842391641,0.0,-0.0070103812,GGA,I-42m,ABC6_tI16_121_a_b_ci:Ga-Ge-Pt,8.0,ABC6_tI16_121_a_b_ci:Ga-Ge-Pt +mp-1224871,Ga3GePt8,-5.6770561558,-0.4873576156,0.0088535176,0.0088535176,GGA,Pm,A3BC8_mP12_6_a2b_a_4a4b:Ga-Ge-Pt,12.0,A3BC8_mP12_6_a2b_a_4a4b:Ga-Ge-Pt +mp-972051,YbGa2Pd,-3.9435863888,-0.749665855,0.0,-0.0260754154,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Pd-Yb,,A2BC_oC16_63_f_c_c:Ga-Pd-Yb +mp-1207568,YbGa4Pd7,-4.5553586839,-0.3960949306,0.3017874447,0.3017874447,GGA,Pm-3m,A4B7C_cP36_221_i_agj_c:Ga-Pd-Yb,,A4B7C_cP36_221_i_agj_c:Ga-Pd-Yb +mp-1104297,Yb3Ga9Pd2,-3.6359396529,-0.6194073198000001,0.0,-0.0275848772,GGA,Immm,A9B2C3_oI28_71_b2n_f_ag:Ga-Pd-Yb,,A9B2C3_oI28_71_b2n_f_ag:Ga-Pd-Yb +mp-865756,YbGaPd2,-4.501694855,-0.7698278744,0.0105974469,0.0105974469,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Yb,,AB2C_cF16_225_a_c_b:Ga-Pd-Yb +mp-1102228,YbGaPd,-4.1044930917,-0.8552977208,0.0,-0.0687318992,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Yb,,ABC_oP12_62_c_c_c:Ga-Pd-Yb +mp-607853,Na8In6Au11,-2.8597755587,-0.3356552896,0.0,-0.0059582978,GGA,Pbcm,A11B6C8_oP100_57_3d4e_2d2e_2d3e:Au-In-Na,100.0,"Invalid WP multiplicities - A11B6C8_oP100_57_11d26e_7d11e_7d19e:Au-In-Na, expected Na45In29Au63 to be Na8In6Au11" +mp-21352,NaIn2Au,-2.8136259238,-0.2886822354,0.0,-0.0558476765,GGA,Cmcm,AB2C_oC16_63_c_f_c:Au-In-Na,8.0,AB2C_oC16_63_c_f_c:Au-In-Na +mp-542680,Na3In2Au,-2.3610975446,-0.2369599879,0.0,-0.0183421004,GGA,Fd-3m,AB2C3_cF96_227_c_e_f:Au-In-Na,24.0,AB2C3_cF96_227_c_e_f:Au-In-Na +mp-607437,Na2In5Au6,-3.0493979844,-0.2765701969,0.0190266614,0.0190266614,GGA,Pm-3,A6B5C2_cP39_200_ek_bfi_g:Au-In-Na,39.0,"Invalid WP multiplicities - A6B5C2_cP39_200_4e4k_b2f3i_g:Au-In-Na, expected Na6In37Au72 to be Na2In5Au6" +mp-1097583,Sc2AlTl,-2.52927847,2.1640108267,2.4568390836000003,2.4568390836000003,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Al-Sc-Tl +mp-983584,Al3Tl,-3.1151390425,0.2847036167,0.2847036167,0.2847036167,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Tl,4.0,A3B_cP4_221_c_a:Al-Tl +mp-1202005,Lu6Al43Mo4,-4.6676226684,-0.298413909,0.0117541035,0.0117541035,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Mo,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Mo +mp-971979,Tm2ZnAg,-3.604917495,-0.34392488,0.0106391775,0.0106391775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Tm-Zn +mp-1218061,Ta3AlCr8,-9.81107018,-0.0991294733,0.0171463813,0.0171463813,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Cr-Ta,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Cr-Ta +mp-1084778,CsZn4As3,-2.7943572613,-0.3053907579,0.0,-0.0971444415,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:As-Cs-Zn,8.0,A3BC4_tP8_123_ah_b_i:As-Cs-Zn +mp-1209201,Sm(AlBr4)3,-3.9562678423,-1.7942894932,0.0,-0.0188146974,GGA,P3_121,A3B12C_hP48_152_ac_6c_b:Al-Br-Sm,48.0,A3B12C_hP48_152_ac_6c_b:Al-Br-Sm +mp-1224494,HfAlRh,-7.7809393542,-0.7585817775,0.063944479,0.063944479,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Hf-Rh,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Hf-Rh, expected Hf3(AlRh)2 to be HfAlRh" +mp-864671,HfAlRh2,-8.128608675,-1.020763525,0.0,-0.0470819275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Rh +mp-983480,Hf6Al16Rh7,-6.6951102334,-0.7908860076,0.0,-0.0435806614,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Rh,29.0,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Rh +mp-978519,Sm2AlCd,-3.8693440525,-0.3429345875,0.0191342391,0.0191342391,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Sm,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Sm +mp-1217573,TbAl3Ag,-4.097075332,-0.3563454133,0.0003469809,0.0003469809,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Ag-Al-Tb,5.0,AB3C_tI10_119_a_bf_c:Ag-Al-Tb +mp-977394,TbAlAg2,-3.844790925,-0.3335274408,0.0058579788,0.0058579788,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Tb,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Tb +mp-1184560,HfZnPd2,-6.0738016275,-0.6796275625,0.0,-0.0228444721,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Hf-Pd-Zn +mp-1208279,Ti5AgSn3,-6.3340628739,-0.2964260237,0.0129919859,0.0129919859,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ag-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Ag-Sn-Ti +mp-863652,Ho2CdOs,-5.56112249,-0.2323537575,0.0802299069,0.0802299069,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Cd-Ho-Os +mp-983428,PmDyIn2,-4.1883533625,-0.4731792069,0.0,-0.0954372187,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Pm,4.0,AB2C_cF16_225_a_c_b:Dy-In-Pm +mp-977358,Ho2AgIr,-5.84140571,-0.6324537292,0.022613972,0.022613972,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-Ir,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-Ir +mp-1193756,Te7IrCl7,-3.6500826043,-0.7313271341,0.0476971249,0.0476971249,GGA,P-1,A7BC7_aP30_2_7i_i_7i:Cl-Ir-Te,30.0,A7BC7_aP30_2_7i_i_7i:Cl-Ir-Te +mp-1105647,Te6IrCl3,-3.8763290815,-0.5519411295000001,0.066600483,0.066600483,GGA,R-3c,A3BC6_hR60_167_e_a_f:Cl-Ir-Te,20.0,A3BC6_hR60_167_e_a_f:Cl-Ir-Te +mp-1184663,Ho2RuPt,-6.944167845,-0.816579445,0.0101559063,0.0101559063,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Pt-Ru +mp-631496,Be2ReCl,-4.483813855,0.9591585387,1.8623797641,1.8623797641,GGA,F-43m,A2BC_cF16_216_ac_b_d:Be-Cl-Re,4.0,A2BC_cF16_216_ac_b_d:Be-Cl-Re +mp-1093924,In2SnPb,-2.0504562575,1.2559403387,1.2571153354,1.2571153354,GGA,Immm,A2BC_oI8_71_e_a_b:In-Pb-Sn,4.0,A2BC_oI8_71_e_a_b:In-Pb-Sn +mp-1223808,In2SnPb,-3.273867275,0.0325293212,0.0337043179,0.0337043179,GGA,P4mm,A2BC_tP4_99_ab_a_b:In-Pb-Sn,4.0,A2BC_tP4_99_ab_a_b:In-Pb-Sn +mp-979288,Ta2NbRh,-10.5554459425,-0.2601539,0.0,-0.0324773852,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Rh-Ta,4.0,ABC2_cF16_225_a_b_c:Nb-Rh-Ta +mp-988256,FeSbPt,-5.0547570117,1.168628245,1.5095840933,1.5095840933,GGA,P1,ABC_aP12_1_4a_4a_4a:Fe-Pt-Sb,12.0,ABC_aP12_1_4a_4a_4a:Fe-Pt-Sb +mp-623035,FeSbPt,-6.1323152608,0.0910699958,0.4320258442,0.4320258442,GGA,R3,ABC_hR36_146_ab_ab_ab:Fe-Pt-Sb,12.0,"Invalid WP multiplicities - ABC_hR36_146_ab_a2b_a2b:Fe-Pt-Sb, expected Fe4(SbPt)7 to be FeSbPt" +mp-669307,FeSbPt,-5.896505905,0.3268793517,0.6678352,0.6678352,GGA,P2_13,ABC_cP12_198_a_a_a:Fe-Pt-Sb,12.0,ABC_cP12_198_a_a_a:Fe-Pt-Sb +mp-1102707,FeSbPt,-6.3056442775,-0.0822590208,0.2586968275,0.2586968275,GGA,P2_13,ABC_cP12_198_a_a_a:Fe-Pt-Sb,12.0,ABC_cF12_216_c_a_b:Fe-Pt-Sb +mp-1977567,FeSbPt,-6.3038031567,-0.0804179,0.2605379483,0.2605379483,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Pt-Sb,3.0,ABC_cF12_216_c_a_b:Fe-Pt-Sb +mp-1018677,DyScSb,-5.9400241617,-0.9172717667,0.0,-0.050323765,GGA,P4/nmm,ABC_tP6_129_c_c_a:Dy-Sb-Sc,6.0,ABC_tP6_129_c_c_a:Dy-Sb-Sc +mp-863739,ErCdRh2,-5.650702905,-0.5958968275000001,0.0,-0.0267588113,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Er-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Er-Rh +mp-1185602,La2GaAg,-4.3489950125,-0.4158284535,0.0071047175,0.0071047175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-La,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-La +mp-574176,Ba(InAu)2,-3.3434718235,-0.5494505435,0.0,-0.0594106785,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Au-Ba-In,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_3c_c_4c:Au-Ba-In, expected BaIn4Au3 to be Ba(InAu)2" +mp-1228509,Ba2In3Au,-3.076555645,-0.5154084667000001,0.0311446283,0.0311446283,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Au-Ba-In,6.0,AB2C3_mC12_8_a_2a_3a:Au-Ba-In +mp-571107,Er4InRh,-5.2984315604,-0.5672870871,0.0,-0.0390931737,GGA,F-43m,A4BC_cF96_216_efg_e_e:Er-In-Rh,24.0,"Invalid WP multiplicities - A4BC_cF96_216_3e4f5g_e_e:Er-In-Rh, expected Er33(InRh)2 to be Er4InRh" +mp-1206255,ErIn5Rh,-4.05226283,-0.3821992114,0.0,-0.01405232,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Er-In-Rh,7.0,AB5C_tP7_123_a_ci_b:Er-In-Rh +mp-1213466,Er21(In2Rh5)2,-5.8774651151,-0.7182677257000001,0.0,-0.0141993185,GGA,I4/mcm,A21B4C10_tI140_140_bgh2m_l_acfhl:Er-In-Rh,70.0,A21B4C10_tI140_140_bgh2m_l_acfhl:Er-In-Rh +mp-3141,ErInRh,-5.6480562233,-0.7534860867000001,0.0,-0.0509238383,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-In-Rh,9.0,ABC_hP9_189_f_g_ad:Er-In-Rh +mp-977400,ErInRh2,-6.29634838,-0.78434381,0.0,-0.1040544575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-In-Rh,4.0,ABC2_cF16_225_a_b_c:Er-In-Rh +mp-1184513,GdMgAu2,-5.0354543225,0.5205872500000001,1.238531485,1.238531485,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Gd-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Gd-Mg +mp-580154,GdMgAu,-6.9961056778,-0.6793442478,0.0,-0.1081409474,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Gd-Mg,9.0,ABC_hP9_189_ad_f_g:Au-Gd-Mg +mp-976125,PrGaAu2,-4.19051662,-0.6013251756,0.0836976617,0.0836976617,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Pr +mp-1219979,PrGa3Au,-4.038639726,-0.6108245615,0.0,-0.0245885736,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-Ga-Pr,5.0,AB3C_tI10_107_a_ab_a:Au-Ga-Pr +mp-1219847,Pr2Ga5Au3,-4.097864992,-0.6454712298,0.0,-0.0360360055,GGA,P-4m2,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Pr,10.0,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Pr +mp-1095984,Li2HgAs,-1.5556242575,0.6395368683,1.1170516652,1.1170516652,GGA,Immm,ABC2_oI8_71_a_b_e:As-Hg-Li,4.0,ABC2_oI8_71_a_b_e:As-Hg-Li +mp-1224093,Ho4CrSe7,-6.2000080342,-1.828836093,0.0854217018,0.0854217018,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Ho-Se,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Ho-Se +mp-1077088,PrCdNi4,-5.0660008933,-0.2619438542,0.0,-0.004466249,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Pr,6.0,AB4C_cF24_216_a_e_c:Cd-Ni-Pr +mp-1199068,Pr(Cd10Ni)2,-1.6112942593,-0.0982953761,0.0,-0.0194324211,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Pr,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Pr +mp-1209942,Pr4CdNi,-4.5339080479,-0.2294664712,0.0,-0.0079555058,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ni-Pr,24.0,ABC4_cF96_216_e_e_efg:Cd-Ni-Pr +mp-1210494,Pr23Cd4Ni7,-4.7503724891,-0.2176269549,0.0,-0.0019815872,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ni-Pr,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ni-Pr +mp-11990,Pr2CdNi2,-4.746231527,-0.337236601,0.0,-0.0309989965,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ni-Pr,10.0,AB2C2_tP10_127_a_g_h:Cd-Ni-Pr +mp-1196198,Li6Eu5Sn9,-5.4706207455,-0.5293861007,0.0189515345,0.0189515345,GGA,Cmcm,A5B6C9_oC80_63_3cf_3f_c4f:Eu-Li-Sn,40.0,A5B6C9_oC80_63_3cf_3f_c4f:Eu-Li-Sn +mp-1212398,Li2Eu5Sn7,-6.534184618,-0.5934804953,0.0201149455,0.0201149455,GGA,P2_12_12_1,A5B2C7_oP56_19_5a_2a_7a:Eu-Li-Sn,56.0,A5B2C7_oP56_19_5a_2a_7a:Eu-Li-Sn +mp-867474,Li2EuSn,-5.014736685,-0.4936318379,0.0,-0.0315131349,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Eu-Li-Sn +mp-1211360,Li8EuSn7,-3.7030593591,-0.3533476267,0.0591623557,0.0591623557,GGA,Cmcm,AB8C7_oC64_63_c_ac3f_3c2f:Eu-Li-Sn,32.0,AB8C7_oC64_63_c_ac3f_3c2f:Eu-Li-Sn +mp-1227436,Ca2Ga7Au,-3.291206308,-0.4430309163,0.0,-0.0304515022,GGA,P4mm,AB2C7_tP10_99_a_ab_a2b2c:Au-Ca-Ga,10.0,"Invalid WP multiplicities - AB2C7_tP10_99_a_ab_a2b4c:Au-Ca-Ga, expected Ca2Ga11Au to be Ca2Ga7Au" +mp-11811,CaGaAu,-3.48099629,-0.7118036558,0.0,-0.0811065426,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Ca-Ga,12.0,ABC_oP12_62_c_c_c:Au-Ca-Ga +mp-567485,CaGaAu3,-3.5497974665000003,-0.5787290860000001,0.0,-0.060120456,GGA,Pa-3,A3BC_cP40_205_d_c_c:Au-Ca-Ga,40.0,A3BC_cP40_205_d_c_c:Au-Ca-Ga +mp-1227579,Ca20(CdGa3)3,-2.5534731237,-0.3618002774,0.0,-0.0097759908,GGA,P422,A20B3C9_tP32_89_gh2p_abc_dp:Ca-Cd-Ga,32.0,"Invalid WP multiplicities - A20B3C9_tP32_89_2gh16p_abc_dp:Ca-Cd-Ga, expected Ca134(CdGa3)3 to be Ca20(CdGa3)3" +mp-1097594,Ca2CdGa,-0.8129004400000001,1.1776459456,1.5926696075,1.5926696075,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Ga,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Ga +mp-1183448,Ca2CdGa,-2.390443395,-0.3998970094,0.0151266525,0.0151266525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Ga,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Ga +mp-1227871,Ca3(CdGa2)2,-2.656234415,-0.4367940539,0.0193919183,0.0193919183,GGA,Cm,A3B2C4_mC36_8_6a_4a_8a:Ca-Cd-Ga,18.0,A3B2C4_mC36_8_6a_4a_8a:Ca-Cd-Ga +mp-864844,Zn2RhAu,-3.604055545,-0.3146362725,0.0,-0.014579465,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Rh-Zn +mp-1188114,Tb6GaNi2,-5.0540027889,-0.3434954575,0.0090339244,0.0090339244,GGA,Immm,AB2C6_oI36_71_ab_fg_lmn:Ga-Ni-Tb,18.0,AB2C6_oI36_71_ab_fg_lmn:Ga-Ni-Tb +mp-1217547,TbGa2Ni3,-5.2274306233,-0.5556025925,0.0,-0.0452904603,GGA,P-62m,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Tb,18.0,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Tb +mp-1189127,TbGa2Ni3,-5.2182471794,-0.5464191486000001,0.0091834439,-0.0361070164,GGA,P6/mmm,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Tb,18.0,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Tb +mp-1203178,Tb4Ga21Ni10,-4.5076736877,-0.5097066114000001,0.0,-0.0009304079,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Tb,35.0,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Tb +mp-1079552,TbGa2Ni,-4.7633106775,-0.6456369712000001,0.0,-0.0391580125,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ni-Tb,8.0,A2BC_oC16_63_f_c_c:Ga-Ni-Tb +mp-1102206,TbGa4Ni,-4.29742874,-0.542947595,0.0,-0.0261974115,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Tb,12.0,A4BC_oC24_63_acf_c_c:Ga-Ni-Tb +mp-1192010,Tb3(GaNi3)2,-5.5121491891000005,-0.5448664232,0.0,-0.0273964377,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Ga-Ni-Tb,22.0,A2B6C3_cI44_229_c_h_e:Ga-Ni-Tb +mp-1207034,Tb2GaNi2,-5.332966578,-0.5615462615,0.0,-0.007504929,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Tb,5.0,AB2C2_oI10_71_a_f_h:Ga-Ni-Tb +mp-1217529,TbGa3Ni,-4.483884262,-0.5841260925,0.0,-0.000102747,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ga-Ni-Tb,,A3BC_tI10_107_ab_a_a:Ga-Ni-Tb +mp-1217527,TbGa3Ni,-4.419693298,-0.5199351285,0.064190964,0.064088217,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Ni-Tb,,A3BC_tI10_119_af_b_c:Ga-Ni-Tb +mp-1217535,TbGaNi,-5.0756262317,-0.5947599642,0.036977775,0.0041599461,GGA,C2/m,ABC_mC12_12_i_i_i:Ga-Ni-Tb,6.0,ABC_mC12_12_i_i_i:Ga-Ni-Tb +mp-1103670,TbGaNi,-5.1126040067,-0.6317377392,0.0,-0.0328178289,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Tb,12.0,ABC_oP12_62_c_c_c:Ga-Ni-Tb +mp-1208350,TbGaNi4,-5.5798042439,-0.4493027701,0.0,-0.0091120714,GGA,P6/mmm,AB4C_hP18_191_f_kl_ad:Ga-Ni-Tb,18.0,AB4C_hP18_191_f_kl_ad:Ga-Ni-Tb +mp-1221424,Na2(TaSe2)3,-6.5812459686,-1.1999866647,0.0,-0.0915448564,GGA,R32,A2B6C3_hR66_155_2c_2f_ace:Na-Se-Ta,22.0,"Invalid WP multiplicities - A2B6C3_hR66_155_3c_2f_ace:Na-Se-Ta, expected NaTaSe2 to be Na2(TaSe2)3" +mp-985471,Ce2ZnHg,-3.56440255,-0.2070019788,0.0465845981,0.0465845981,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Ce-Hg-Zn +mp-1103516,Tm(MnAl2)4,-5.8097739092000005,-0.3414275068,0.0,-0.0152860173,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Tm,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Tm +mp-1216785,Tm(MnAl)6,-6.5515519138,-0.2499071326,0.032793103,0.032793103,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Mn-Tm,13.0,A6B6C_oI26_71_efg_hk_a:Al-Mn-Tm +mp-1208268,Tm6Mn4Al43,-4.5004004311,-0.2633658198,0.0159884598,0.0159884598,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mn-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mn-Tm +mp-7239,PrMgGa,-3.61888507,-0.4824577942,0.0,-0.0665333911,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Pr,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Pr +mp-1185736,Mg16ZrAl12,-2.7681458476,-0.0405909721,0.0499413304,0.0499413304,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Zr,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Zr, expected Mg26ZrAl20 to be Mg16ZrAl12" +mp-1185735,Mg16ZrAl12,-2.7755631493,-0.0480082738,0.0425240287,0.0425240287,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Zr,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Zr, expected Mg49ZrAl39 to be Mg16ZrAl12" +mp-1028216,Mg14ZrAl,-2.16843896,0.0001358625,0.0809430369,0.0809430369,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Zr, expected Mg18ZrAl to be Mg14ZrAl" +mp-1028197,Mg14ZrAl,-2.151748175,0.0168266475,0.0976338219,0.0976338219,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Zr, expected Mg26ZrAl to be Mg14ZrAl" +mp-1023402,Mg6ZrAl,-2.7229622006,0.0139073944,0.1525610574,0.1525610574,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Zr, expected Mg12ZrAl to be Mg6ZrAl" +mp-1023403,Mg6ZrAl,-2.7277951194,0.0090744756,0.1477281386,0.1477281386,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Zr, expected Mg12ZrAl to be Mg6ZrAl" +mp-961682,TiSnPd,-6.2815098733,-0.5865279794,0.0,-0.0641542872,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Pd-Sn-Ti +mp-865679,TiSnPd2,-6.1701125225,-0.6039056496,0.0,-0.0054550052,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Ti +mp-4283,LaSi2Pt,-6.5009584375,-1.0365143162,0.0,-0.1209542362,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Pt-Si,8.0,ABC2_oC16_63_c_c_2c:La-Pt-Si +mp-1080606,La(SiPt)2,-6.680431695,-1.094649734,0.0,-0.089910169,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:La-Pt-Si,10.0,AB2C2_tP10_129_c_ac_bc:La-Pt-Si +mp-4176,La(SiPt)2,-6.588217876,-1.002435915,0.092213819,0.00230365,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:La-Pt-Si +mp-1223224,La(SiPt)2,-6.616081884,-1.030299923,0.064349811,-0.025560358,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:La-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:La-Pt-Si +mp-1206485,LaSiPt,-6.606161655,-1.1286755033,0.0,-0.0435192,GGA,I4_1md,ABC_tI12_109_a_a_a:La-Pt-Si,6.0,ABC_tI12_109_a_a_a:La-Pt-Si +mp-1206882,LaSiPt3,-6.807128016,-1.092182997,0.0,-0.1199292758,GGA,P4mm,AB3C_tP5_99_b_ac_a:La-Pt-Si,5.0,AB3C_tP5_99_b_ac_a:La-Pt-Si +mp-863725,Pm2PdPt,-6.12144064,-0.9334156962,0.0,-0.6619415623,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Pd-Pm-Pt +mp-1189150,Th(As3Os)4,-6.7367167871,-0.3700845029,0.0,-0.0304895374,GGA,Im-3,A12B4C_cI34_204_g_c_a:As-Os-Th,17.0,A12B4C_cI34_204_g_c_a:As-Os-Th +mp-1220627,Nd(Fe5Re)2,-8.7913287554,0.005395391,0.0082860488,0.0082860488,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Nd-Re,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Nd-Re +mp-1102378,NdRe2,-9.873788275,0.0119456592,0.0119456592,0.0119456592,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Nd-Re,12.0,AB2_hP12_194_f_ah:Nd-Re +mp-1096499,LiNbRu2,-4.669892925,2.9698653217,3.0808458592,3.0808458592,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Nb-Ru,4.0,ABC2_oI8_71_a_b_e:Li-Nb-Ru +mp-1185361,LiNbRu2,-7.7383366575,-0.0985784108,0.0124021267,0.0124021267,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Li-Nb-Ru +mp-1097540,TlHg2Bi,-0.991991285,0.7106319667000001,0.7476101306,0.7476101306,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Hg-Tl,4.0,AB2C_oI8_71_a_e_b:Bi-Hg-Tl +mp-1096535,Tl2HgBi,-1.5355887075,0.6817752396,0.7264786681000001,0.7264786681000001,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Tl,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Tl +mp-1184208,ErTlRh2,-5.98388314,-0.5691387158,0.0,-6.996e-07,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Tl +mp-1184739,HoCdRh2,-5.639842595,-0.5813640025,0.0,-0.0172801762,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ho-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Ho-Rh +mp-569478,Ho4CdRh,-4.9333635292,-0.4972246775,0.0,-0.0404510806,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ho-Rh,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_3e2f5g_e:Cd-Ho-Rh, expected Ho27(CdRh)2 to be Ho4CdRh" +mp-1093851,ZrBe2Pt,-2.7196305425,2.8047843775,3.4520919851,3.4520919851,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-Zr,4.0,A2BC_oI8_71_e_a_b:Be-Pt-Zr +mp-1096291,Sc2TlAu,-2.8594305725,1.7159352667,2.2038854204,2.2038854204,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Au-Sc-Tl +mp-1096669,Tl2HgPb,-1.35344982,0.8319536121000001,0.8460820569,0.8460820569,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pb-Tl,4.0,ABC2_oI8_71_a_b_e:Hg-Pb-Tl +mp-1096464,TlHg2Pb,-0.8970005950000001,0.7736621417,0.7987516508,0.7987516508,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Pb-Tl,4.0,A2BC_oI8_71_e_a_b:Hg-Pb-Tl +mp-1095888,TlHgPb2,-1.44166415,1.0812402629,1.0947352317,1.0947352317,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Pb-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Pb-Tl +mp-1096356,Sc2TlCo,-3.4611538175,2.0728209704,2.3275907986,2.3275907986,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Co-Sc-Tl +mp-31018,SrAgBi,-3.4068782483,-0.6193653861,0.0,-0.0505050123,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-Bi-Sr,6.0,ABC_hP6_194_c_d_a:Ag-Bi-Sr +mp-1097475,Sr2AgBi,-1.7360925225,0.7769154875000001,1.4549573432,1.4549573432,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Bi-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Bi-Sr +mp-1184167,ErCdPt2,-5.2539356275,-0.845716825,0.0104070793,0.0104070793,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Er-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Er-Pt +mp-1212949,Er4CdPt,-4.8285030542000005,-0.6176866675,0.0,-0.0246349712,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Er-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Er-Pt +mp-972572,Sm2PdRh,-6.26651968,-0.7711791925,0.0212206438,0.0212206438,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Sm,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Sm +mp-864764,Ta2FeOs,-11.1274086075,-0.2741726325,0.0049153794,0.0049153794,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Os-Ta,8.0,ABC2_cF16_225_a_b_c:Fe-Os-Ta +mp-867222,LiCa2Ir,-3.9225833075,-0.2329441058,0.004525779,0.004525779,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Ca-Ir-Li +mp-1097419,TaGaRh2,-5.0446703975,2.3589519506,2.9250560666,2.9250560666,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Rh-Ta,4.0,AB2C_oI8_71_a_e_b:Ga-Rh-Ta +mp-1079540,La(SbPd)2,-5.6832384000000005,-0.972483759,0.0,-0.069668014,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:La-Pd-Sb,10.0,AB2C2_tP10_129_c_ac_bc:La-Pd-Sb +mp-1095714,LaSbPd2,-3.91217573,0.9440172612,1.9095558092,1.9095558092,GGA,Immm,AB2C_oI8_71_a_e_b:La-Pd-Sb,4.0,AB2C_oI8_71_a_e_b:La-Pd-Sb +mp-1078519,LaSb2Pd,-5.58418705,-0.9907142012,0.0,-0.0014154651,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:La-Pd-Sb,8.0,ABC2_tP8_129_c_a_bc:La-Pd-Sb +mp-1222781,LaSbPd,-5.4082384283,-0.65994171,0.486373825,0.4285143943,GGA,P-3m1,ABC_hP6_164_c_d_d:La-Pd-Sb,6.0,ABC_hP6_164_c_d_d:La-Pd-Sb +mp-1025082,LaSbPd,-5.8946122533,-1.146315535,0.0,-0.0578594307,GGA,P6_3mc,ABC_hP6_186_a_b_b:La-Pd-Sb,6.0,ABC_hP6_186_a_b_b:La-Pd-Sb +mp-1018745,LaSbPd,-5.891739825,-1.1434431067,0.0028724283,-0.0549870023,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:La-Pd-Sb,6.0,ABC_hP6_194_a_c_d:La-Pd-Sb +mp-1206246,La2(SbPd)3,-4.5303318925,0.1945010275,1.2321717025,1.2321717025,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:La-Pd-Sb,8.0,A2B3C3_tP8_123_g_ag_bg:La-Pd-Sb +mp-1211524,LaSb3Pd,-5.3571233618,-0.8565448348,0.0,-0.0152449102,GGA,Pbcm,ABC3_oP40_57_cd_e_2c2de:La-Pd-Sb,40.0,ABC3_oP40_57_cd_e_2c2de:La-Pd-Sb +mp-1183179,AcNdMg2,-3.0931493025,-0.0706786675,0.0212565125,0.0212565125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Ac-Mg-Nd +mp-1183235,AcNd3,-4.570123255,0.0362810712,0.0362810712,0.0362810712,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Nd,4.0,AB3_tI8_139_a_bd:Ac-Nd +mp-1183259,AcNd3,-4.55727578,0.0491285462,0.0491285462,0.0491285462,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Nd,8.0,AB3_hP8_194_c_h:Ac-Nd +mp-985554,Ac3Nd,-4.2377097525,0.0452083613,0.0452083613,0.0452083613,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Nd,8.0,A3B_hP8_194_h_c:Ac-Nd +mp-8848,TaFeTe3,-6.463757777,-0.512214473,0.0200597729,0.0200597729,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Fe-Ta-Te,10.0,ABC3_mP10_11_e_e_3e:Fe-Ta-Te +mp-28964,Ta4FeTe4,-8.183075195,-0.5748134946,0.0,-0.0777680993,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Fe-Ta-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Fe-Ta-Te +mp-1218111,Ta4Fe5Te12,-6.5446080624,-0.473137239,0.0372085879,0.0372085879,GGA,Pm,A5B4C12_mP21_6_2a3b_2a2b_6a6b:Fe-Ta-Te,21.0,A5B4C12_mP21_6_2a3b_2a2b_6a6b:Fe-Ta-Te +mp-867287,LiInAu2,-3.2095475275,-0.4074548783,0.0,-0.0273617081,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Li,4.0,A2BC_cF16_225_c_a_b:Au-In-Li +mp-30392,Li2InAu,-2.9347743825,-0.4739215167,0.0,-0.0739105916,GGA,F-43m,ABC2_cF16_216_a_c_bd:Au-In-Li,4.0,ABC2_cF16_216_a_c_bd:Au-In-Li +mp-1183564,CaNdAu2,-4.1381263175,-0.8077484894,0.0016998769,0.0016998769,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Ca-Nd +mp-4828,HfNi2Sn,-6.872656395,-0.4908978338,0.0473078729,0.0473078729,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Hf-Ni-Sn +mp-646507,Hf2Ni2Sn,-7.662444779,-0.565600124,0.020497401,0.020497401,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Hf-Ni-Sn,10.0,A2B2C_tP10_127_h_g_a:Hf-Ni-Sn +mp-510041,Hf2Ni2Sn,-7.6719558005,-0.5751111455,0.0109863795,0.0109863795,GGA,P4_2/mnm,A2B2C_tP20_136_fg_j_d:Hf-Ni-Sn,20.0,A2B2C_tP20_136_fg_j_d:Hf-Ni-Sn +mp-1212523,Hf5NiSn3,-7.9335751439,-0.4230421,0.0195756823,0.0195756823,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Hf-Ni-Sn,18.0,A5BC3_hP18_193_dg_b_g:Hf-Ni-Sn +mp-636297,HfNiSn,-6.3288536833,0.253445505,0.8841739033,0.7327047929,GGA,F-43m,ABC_cF12_216_c_a_b:Hf-Ni-Sn,3.0,ABC_cF12_216_c_a_b:Hf-Ni-Sn +mp-924128,HfNiSn,-7.2130275867,-0.6307283983,0.0,-0.1514691104,GGA,F-43m,ABC_cF12_216_a_c_b:Hf-Ni-Sn,3.0,ABC_cF12_216_a_c_b:Hf-Ni-Sn +mp-20523,HfNiSn,-6.4101579467,0.1721412417,0.80286964,0.6514005296000001,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Ni-Sn,3.0,ABC_cF12_216_a_b_c:Hf-Ni-Sn +mp-1104013,Dy3Ga9Pd2,-4.3294540743,-0.6556691927,0.0001570793,0.0001570793,GGA,Immm,A3B9C2_oI28_71_ag_b2n_f:Dy-Ga-Pd,14.0,A3B9C2_oI28_71_ag_b2n_f:Dy-Ga-Pd +mp-1188432,Dy4Ga12Pd,-4.1379552182,-0.6118268982,0.0,-0.0256764465,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Dy-Ga-Pd,17.0,A4B12C_cI34_229_c_de_a:Dy-Ga-Pd +mp-1092296,DyGa2Pd,-4.7627381575,-0.8020229837,0.0,-0.0437866485,GGA,Cmcm,AB2C_oC16_63_c_f_c:Dy-Ga-Pd,8.0,AB2C_oC16_63_c_f_c:Dy-Ga-Pd +mp-22129,DyGaPd,-5.16542085,-0.8938326258,0.0,-0.0606411933,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ga-Pd,12.0,ABC_oP12_62_c_c_c:Dy-Ga-Pd +mp-1189769,DyGaPd2,-5.3975030337,-0.8988414131,0.0,-0.042998531,GGA,Pnma,ABC2_oP16_62_c_c_d:Dy-Ga-Pd,16.0,ABC2_oP16_62_c_c_d:Dy-Ga-Pd +mp-11985,LaMgTl,-3.3410680756,-0.374757975,0.0,-0.0841682375,GGA,P-62m,ABC_hP9_189_f_g_ad:La-Mg-Tl,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:La-Mg-Tl, expected La3Mg3Tl5 to be LaMgTl" +mp-962063,LaMgTl,-3.0665905133,-0.1002804128,0.2744775622,0.1903093247,GGA,F-43m,ABC_cF12_216_a_c_b:La-Mg-Tl,3.0,ABC_cF12_216_a_c_b:La-Mg-Tl +mp-973256,LaMgTl2,-3.1255030275,-0.3101096654,0.0162506802,0.0162506802,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:La-Mg-Tl +mp-977187,La2MgTl,-3.7339860325,-0.2752516808,0.0105929978,0.0105929978,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:La-Mg-Tl +mp-1183764,CeLuMg2,-3.418413065,-0.0047631212,0.0277108808,0.0277108808,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Lu-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Lu-Mg +mp-1187670,TmScZn2,-3.6934324275,-0.3614844904,0.00811487,0.00811487,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sc-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Sc-Tm-Zn +mp-980649,TiNbRu2,-9.5991784125,-0.4627778783,0.00793186,0.00793186,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Ti,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Ti +mp-1183577,CaYbZn2,-1.79436524,-0.278191395,0.0088090462,0.0088090462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Yb-Zn,,ABC2_cF16_225_a_b_c:Ca-Yb-Zn +mp-861639,Ti2CoIr,-8.5918628025,-0.6574288004000001,0.0,-0.0283587675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ir-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Ir-Ti +mp-864672,NbSiTc2,-9.4762664725,-0.4142912325,0.0,-0.055576081,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Si-Tc,4.0,ABC2_cF16_225_a_b_c:Nb-Si-Tc +mp-10456,HfSiPt,-8.2543351717,-1.1031217117,0.0,-0.2412453514,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Pt-Si,12.0,ABC_oP12_62_c_c_c:Hf-Pt-Si +mp-961670,HfSiPt,-7.7579341067,-0.6067206467,0.496401065,0.2551557136,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Pt-Si,3.0,ABC_cF12_216_a_b_c:Hf-Pt-Si +mp-1184931,HoNp3,-10.1982950125,0.6581419659000001,0.6581419659000001,0.6581419659000001,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Np,4.0,AB3_tI8_139_a_bd:Ho-Np +mp-1184926,HoNp3,-10.16761102,0.6888259584,0.6888259584,0.6888259584,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Np,4.0,AB3_cP4_221_a_c:Ho-Np +mp-1184909,HoNpRu2,-9.236080635,-0.2163322272,0.0421398409,0.0421398409,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Np-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-Np-Ru +mp-1184927,HoNp,-7.87770119,0.8873930856000001,0.8873930856000001,0.8873930856000001,GGA,P-6m2,AB_hP2_187_a_d:Ho-Np,2.0,AB_hP2_187_a_d:Ho-Np +mp-1184795,Ho3Np,-6.3205923787,0.3531591941,0.3531591941,0.3531591941,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Np,8.0,A3B_hP8_194_h_c:Ho-Np +mp-1096678,Nb2TcRu,-6.0744982675,3.8849146238,4.1403970675,4.03883352,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ru-Tc,4.0,A2BC_oI8_71_e_a_b:Nb-Ru-Tc +mp-1186209,Nb2TcRu,-10.214895335,-0.2554824437,0.0,-0.1015635475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nb-Ru-Tc,4.0,A2BC_cF16_225_c_a_b:Nb-Ru-Tc +mp-1221132,Pr3Gd3Mn23,-8.4021814421,0.8149715132,0.8149715132,0.8149715132,GGA,R3m,A3B23C3_hR87_160_b_5a6b_b:Gd-Mn-Pr,29.0,A3B23C3_hR87_160_b_5a6b_b:Gd-Mn-Pr +mp-1186655,PmTmRu2,-7.2050588525,-0.261263146,0.0239087056,0.0239087056,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Pm-Ru-Tm +mp-631487,LaBeOs2,-7.10761216,0.6749265475,0.8057510868000001,0.8057510868000001,GGA,F-43m,ABC2_cF16_216_a_c_bd:Be-La-Os,4.0,ABC2_cF16_216_a_c_bd:Be-La-Os +mp-631303,InReGe,-5.9478345233,0.6585784,0.6636675048,0.6636675048,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-In-Re,3.0,ABC_cF12_216_a_b_c:Ge-In-Re +mp-865426,YbNdAg2,-3.36038269,-0.3671657602,0.0,-0.031900215,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Nd-Yb,,A2BC_cF16_225_c_a_b:Ag-Nd-Yb +mp-703,Pu5Rh4,-11.2682171364,-0.0686145664,0.2589990347,0.2589990347,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Pu-Rh,36.0,A5B4_oP36_62_c2d_2cd:Pu-Rh +mp-1210273,Pu4Rh,-12.605231513,0.281900725,0.4293268455,0.4293268455,GGA,Fd-3m,A4B_cF40_227_e_a:Pu-Rh,10.0,A4B_cF40_227_e_a:Pu-Rh +mp-1678,PuRh3,-9.503804685,-0.4136142,0.0,-0.0450488987,GGA,Pm-3m,AB3_cP4_221_a_c:Pu-Rh,4.0,AB3_cP4_221_a_c:Pu-Rh +mp-640039,Pu2InRh2,-9.714347633,-0.5111524070000001,0.0,-0.13205269,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Pu-Rh,10.0,AB2C2_tP10_127_a_h_g:In-Pu-Rh +mp-1897,PuRh2,-10.1569050917,-0.4914204017,0.0,-0.123763335,GGA,Fd-3m,AB2_cF24_227_a_d:Pu-Rh,6.0,AB2_cF24_227_a_d:Pu-Rh +mp-972639,SmDyIr2,-7.48787583,-0.7373154962,0.0330708734,0.0330708734,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ir-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-Ir-Sm +mp-978539,SmTmRu2,-7.218820585,-0.2830139254,0.060643189,0.060643189,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sm-Tm,4.0,A2BC_cF16_225_c_a_b:Ru-Sm-Tm +mp-15683,CrAsRh,-7.4739747233,-0.248483475,0.0722719953,0.0722719953,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Cr-Rh,9.0,ABC_hP9_189_ad_f_g:As-Cr-Rh +mp-1186510,PrSmIn2,-4.218156325,-0.4674414875,0.01850134,0.01850134,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Pr-Sm,4.0,A2BC_cF16_225_c_a_b:In-Pr-Sm +mp-1210351,Na3YbBr6,-3.328077459,-1.845542045,0.040401541,0.040401541,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Br-Na-Yb,,A6B3C_mP20_14_3e_ae_b:Br-Na-Yb +mp-1097671,TaBeRh2,-4.9083160125,2.6731355463,3.1972843574,3.1972843574,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Rh-Ta,4.0,AB2C_oI8_71_a_e_b:Be-Rh-Ta +mp-1096284,TaGaTc2,-5.51604496,3.3857429256,3.6811448,3.6811448,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Ga-Ta-Tc +mp-865793,LiSc2Rh,-6.0340857475,-0.5495435108,0.0,-0.0190876007,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Sc +mp-1093642,LiScRh2,-3.92305728,1.8194446479,2.42955462,2.42955462,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Rh-Sc,4.0,AB2C_oI8_71_a_e_b:Li-Rh-Sc +mp-1185444,LiScRh2,-6.336400325,-0.5938983971,0.016211575,0.016211575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Sc +mp-1096584,LiGa2Tc,-2.6982084275,1.8832300367,2.0873980162,2.0873980162,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Li-Tc,4.0,A2BC_oI8_71_e_a_b:Ga-Li-Tc +mp-1210979,Li3CeGa8,-3.2747992425,-0.2844137479,0.0727817898,0.0727817898,GGA,P6/mmm,AB8C3_hP12_191_a_dm_f:Ce-Ga-Li,12.0,AB8C3_hP12_191_a_dm_f:Ce-Ga-Li +mp-1222867,Li3CeGa8,-3.3300941142,-0.3397086196,0.0174869182,0.0174869182,GGA,P6/mmm,AB8C3_hP12_191_a_2h_be:Ce-Ga-Li,12.0,"Invalid WP multiplicities - AB8C3_hP12_191_a_5h_b2e:Ce-Ga-Li, expected Li5CeGa20 to be Li3CeGa8" +mp-1185229,LiCe2Ga,-4.3366768,-0.1358775002,0.1079450835,0.1079450835,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Ce-Ga-Li +mp-1184980,Li2CeGa,-3.3616946475,-0.1669369198,0.0695496521,0.0695496521,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Ga-Li,4.0,ABC2_cF16_225_a_b_c:Ce-Ga-Li +mp-865546,Yb2AgBi,-3.0992782075,-0.6612127842000001,0.0,-0.0054254073,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Bi-Yb,,ABC2_cF16_225_a_b_c:Ag-Bi-Yb +mp-1071555,YbAgBi,-3.3429540333,-0.6054028956,0.0,-0.0840827521,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Bi-Yb,,ABC_hP6_186_b_b_a:Ag-Bi-Yb +mp-977372,Pm2SnHg,-4.053896615,-0.6003123988,0.0,-0.1768663058,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-Pm-Sn +mp-1097352,Nb2FeMo,-5.83287724,4.04669311,4.1379442465,4.1379442465,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mo-Nb,4.0,ABC2_oI8_71_a_b_e:Fe-Mo-Nb +mp-1212924,Er4CdNi,-4.4695310788,-0.3072141321,0.0,-0.0244426508,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Er-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Er-Ni +mp-1072598,ErCdNi4,-5.13532093,-0.3667950483,0.0,-0.0498444133,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Er-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Er-Ni +mp-865945,LuInNi2,-5.121809945,-0.4135830425,0.0424240836,0.0424240836,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Lu-Ni,4.0,ABC2_cF16_225_a_b_c:In-Lu-Ni +mp-1206494,LuInNi,-4.8497138922000005,-0.4987902489,0.0,-0.0107392789,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Lu-Ni,9.0,ABC_hP9_189_f_g_bc:In-Lu-Ni +mp-1198338,Lu10In20Ni9,-4.3060137559000005,-0.4017981169,0.0,-0.0095395512,GGA,P4/nmm,A20B10C9_tP78_129_gh2ij_2cij_aij:In-Lu-Ni,78.0,A20B10C9_tP78_129_gh2ij_2cij_aij:In-Lu-Ni +mp-1206270,LuInNi4,-5.478754165,-0.4132240033,0.0,-0.0688748694,GGA,F-43m,ABC4_cF24_216_a_c_e:In-Lu-Ni,6.0,ABC4_cF24_216_a_c_e:In-Lu-Ni +mp-646321,Lu5(In2Ni)2,-4.6243117668,-0.5177880505,0.0,-0.0539938905,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:In-Lu-Ni,22.0,"Invalid WP multiplicities - A4B5C2_oP22_55_3g_2b6h_g:In-Lu-Ni, expected Lu7In3Ni to be Lu5(In2Ni)2" +mp-1068243,Lu2InNi2,-5.2290929,-0.5583212740000001,0.0,-0.0404285778,GGA,Cmmm,AB2C2_oC10_65_a_h_g:In-Lu-Ni,5.0,AB2C2_oC10_65_a_h_g:In-Lu-Ni +mp-1079510,Lu2InNi2,-5.210038872,-0.5392672460000001,0.019054028,-0.0213745498,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Lu-Ni,10.0,AB2C2_tP10_127_a_h_g:In-Lu-Ni +mp-21340,HfGePt,-7.78626703,-0.9024836283,0.0,-0.1118317477,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Hf-Pt,12.0,ABC_oP12_62_c_c_c:Ge-Hf-Pt +mp-961676,HfGePt,-7.2725928,-0.3888093983,0.51367423,0.4018424823,GGA,F-43m,ABC_cF12_216_a_c_b:Ge-Hf-Pt,3.0,ABC_cF12_216_a_c_b:Ge-Hf-Pt +mp-867156,ScGaRu2,-7.4179623425,-0.4406197906,0.0,-0.0035604456,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-Sc +mp-979260,Sc6Ga16Ru7,-5.7379415714,-0.5184529931,0.0,-0.010598195,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Sc +mp-973067,ScGa2Ru,-5.940565085,-0.5247991625,0.0042633293,0.0042633293,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ru-Sc,4.0,A2BC_cF16_225_c_a_b:Ga-Ru-Sc +mp-862311,Sc2GaRu,-6.844337295,-0.6024781019000001,0.0,-0.0296897625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Ru-Sc +mp-1212193,HfSbPd,-7.0125823092,-0.5905582825,0.1234796898,0.1234796898,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Pd-Sb,12.0,ABC_oP12_62_c_c_c:Hf-Pd-Sb +mp-1070907,Hf2Sb3Pd,-6.83566453,-0.588787265,0.0376150642,0.0376150642,GGA,P-4m2,A2BC3_tP6_115_g_a_bg:Hf-Pd-Sb,6.0,A2BC3_tP6_115_g_a_bg:Hf-Pd-Sb +mp-1195520,Hf3Sb7Pd,-6.3642261491,-0.5501845509000001,0.0,-0.0097612686,GGA,Pnma,A3BC7_oP44_62_3c_c_7c:Hf-Pd-Sb,44.0,A3BC7_oP44_62_3c_c_7c:Hf-Pd-Sb +mp-29905,Mn9(NbGe4)2,-7.5433563955,-0.1936211035,0.0,-0.001783853,GGA,Pnma,A8B9C2_oP76_62_6cd_5c2d_2c:Ge-Mn-Nb,76.0,A8B9C2_oP76_62_6cd_5c2d_2c:Ge-Mn-Nb +mp-29906,Mn4Nb7Ge8,-7.9167704301,-0.3198536255,0.0277649938,0.0277649938,GGA,Pnma,A8B4C7_oP76_62_6cd_2cd_5cd:Ge-Mn-Nb,76.0,A8B4C7_oP76_62_6cd_2cd_5cd:Ge-Mn-Nb +mp-567194,Mn2Nb9Ge8,-8.0585500197,-0.36276061,0.0402520872,0.0402520872,GGA,Pnma,A8B2C9_oP76_62_6cd_2c_5c2d:Ge-Mn-Nb,76.0,"Invalid WP multiplicities - A8B2C9_oP76_62_21c5d_2c_20c10d:Ge-Mn-Nb, expected Mn2Nb40Ge31 to be Mn2Nb9Ge8" +mp-9951,MnNbGe,-8.2861966644,-0.3240806021,0.0,-0.0098663185,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Mn-Nb,9.0,ABC_hP9_189_ad_g_f:Ge-Mn-Nb +mp-1209957,NaTlSe2,-3.427544935,-0.7582970861,0.0295540076,0.0295540076,GGA,I4/mcm,AB2C_tI16_140_a_h_b:Na-Se-Tl,8.0,AB2C_tI16_140_a_h_b:Na-Se-Tl +mp-1184824,HoLuAl2,-4.5338595925,-0.38523183,0.0218886963,0.0218886963,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Al-Ho-Lu +mp-1023291,RbCaMg6,-1.3623782144,0.2110985672,0.2632235,0.2632235,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Rb, expected RbCaMg12 to be RbCaMg6" +mp-1099112,RbCaMg6,-1.3480574737,0.2254193078,0.2775442406,0.2775442406,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:Ca-Mg-Rb +mp-975404,RbCa3,-1.53798337,0.2113500581,0.2113500581,0.2113500581,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Rb,4.0,A3B_tI8_139_ad_b:Ca-Rb +mp-975383,RbCa3,-1.5245420425,0.2247913856,0.2247913856,0.2247913856,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Rb,4.0,A3B_cP4_221_c_a:Ca-Rb +mp-975390,RbCa3,-1.53161002,0.2177234081,0.2177234081,0.2177234081,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Rb,4.0,A3B_cF16_225_ac_b:Ca-Rb +mp-975043,Rb3Ca,-1.0361449875,0.2006555369,0.2006555369,0.2006555369,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Rb,4.0,AB3_tI8_139_a_bd:Ca-Rb +mp-974635,Rb3Ca,-1.050188735,0.1866117894,0.1866117894,0.1866117894,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Rb,8.0,AB3_hP8_194_c_h:Ca-Rb +mp-1028196,RbCaMg14,-1.4519571362,0.1349212795,0.1733078931,0.1733078931,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Rb, expected RbCaMg18 to be RbCaMg14" +mp-1028185,RbCaMg14,-1.4593808131,0.1274976027,0.1658842163,0.1658842163,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Rb, expected RbCaMg26 to be RbCaMg14" +mp-1016323,NaMg7,-1.5118963938,0.0536643117,0.074606701,0.074606701,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Na,8.0,A7B_hP8_187_ajk_d:Mg-Na +mp-1096243,NaMgHg2,-0.3884837125,0.4940578059,0.7261096779,0.7261096779,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Mg-Na,4.0,A2BC_oI8_71_e_a_b:Hg-Mg-Na +mp-1186141,NaMgHg2,-1.1017328,-0.2191912816,0.0128605904,0.0128605904,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Na,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Na +mp-1096507,NaMg2Hg,-0.4331523125,0.7735391271000001,0.9287837614,0.9287837614,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Na,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Na +mp-973334,NaMg,-1.3500140475,0.1113886242,0.1233557038,0.1233557038,GGA,Pmma,AB_oP4_51_e_f:Mg-Na,4.0,AB_oP4_51_e_f:Mg-Na +mp-1023499,NaMg15,-1.5525115550000002,0.0304088227,0.052847097,0.052847097,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Na,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Na, expected NaMg27 to be NaMg15" +mp-982637,Na3Mg,-1.2982137725,0.0937502101,0.0997337499,0.0997337499,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Na,4.0,AB3_tI8_139_a_bd:Mg-Na +mp-1186056,Na3Mg,-1.3071161875,0.0848477951,0.0908313349,0.0908313349,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Na,8.0,AB3_hP8_194_c_h:Mg-Na +mp-1186046,Na3Mg,-1.296665555,0.0952984276,0.1012819674,0.1012819674,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Na,4.0,AB3_cP4_221_a_c:Mg-Na +mp-1016219,NaMg3,-1.4413786925,0.0894626684,0.1074132878,0.1074132878,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Na,4.0,A3B_oP4_25_abc_d:Mg-Na +mp-976768,NaMg3,-1.4357037075,0.0951376534,0.1130882728,0.1130882728,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Na,4.0,A3B_tI8_139_ad_b:Mg-Na +mp-974313,NaMg3,-1.43117615,0.0996652109,0.1176158303,0.1176158303,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Na,8.0,A3B_hP8_194_h_c:Mg-Na +mp-976856,NaMg3,-1.4278737825,0.1029675784,0.1209181978,0.1209181978,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Na,4.0,A3B_cP4_221_c_a:Mg-Na +mp-1186271,NaMg149,-1.6222029498,-0.0237745982,0.0,-0.0237745982,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Na,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Na, expected NaMg315 to be NaMg149" +mp-4469,Tm(SiNi)2,-6.20140769,-0.8240587213,0.0,-0.0679604609,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Tm +mp-1207982,Tm3Si3Ni,-5.8694215879,-0.8003362964,0.0,-0.032015895,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Ni-Si-Tm,14.0,AB3C3_mC28_12_i_3i_3i:Ni-Si-Tm +mp-1192110,Tm3(SiNi3)2,-6.0528325864,-0.6929269127000001,0.0,-0.0470347591,GGA,Im-3m,A6B2C3_cI44_229_h_c_e:Ni-Si-Tm,22.0,A6B2C3_cI44_229_h_c_e:Ni-Si-Tm +mp-1189601,Tm2Si5Ni3,-6.079898458,-0.7380313543,0.0099560275,0.0099560275,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Tm,20.0,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Tm +mp-1025393,TmSi2Ni,-6.09176581,-0.8151137692,0.0,-0.0697399204,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Tm,8.0,AB2C_oC16_63_c_2c_c:Ni-Si-Tm +mp-1207851,TmSi3Ni5,-6.2136547064,-0.6967132716000001,0.0,-0.0398412534,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Ni-Si-Tm,36.0,A5B3C_oP36_62_5c_3c_c:Ni-Si-Tm +mp-542391,Tm(SiNi5)2,-6.0739654558,-0.4487471263,0.0,-0.0298141864,GGA,P4/nmm,A10B2C_tP26_129_d2i_e_c:Ni-Si-Tm,26.0,A10B2C_tP26_129_d2i_e_c:Ni-Si-Tm +mp-1093545,TlAgPd2,-2.3987336150000003,1.4900070775,1.6541676714,1.6541676714,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Tl +mp-1187527,TlAgPd2,-4.0450438525,-0.15630316,0.0078574339,0.0078574339,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pd-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Pd-Tl +mp-864998,CaPuRh2,-7.70188934,0.0486241475,0.449183869,0.449183869,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pu-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Pu-Rh +mp-862925,PmInPt2,-5.72758884,-0.8164656669,0.0,-0.5007533860000001,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pm-Pt,4.0,ABC2_cF16_225_a_b_c:In-Pm-Pt +mp-1183902,Eu2AgPd,-7.61941256,-0.4878022067,0.0272954165,0.0272954165,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Pd,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Pd +mp-1187014,SmEuRh2,-7.95813729,-0.5320863712,0.0474555027,0.0474555027,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Eu-Rh-Sm +mp-1203338,Ga40SnMo8,-4.46034289,-0.1358813872,0.0,-0.0025061216,GGA,R-3,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Sn,49.0,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Sn +mp-12615,TbBe13,-3.9885783254,-0.1852402293,0.0,-0.1852402293,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Tb,28.0,A13B_cF112_226_bi_a:Be-Tb +mp-1217587,TbBeCu4,-4.2801139533,-0.1516796792,0.0443869507,0.0443869507,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Tb,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Tb +mp-865925,LiZrIr2,-7.6179898575,-0.5846168933,0.0,-0.0060636405,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Zr,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Zr +mp-976330,LiZr2Ir,-7.435234535,-0.4745449583,0.0273657086,0.0273657086,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Zr,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Zr +mp-1224459,Hf3TaCo8,-8.5418935283,-0.325569605,0.0119287526,0.0119287526,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Co-Hf-Ta,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Co-Hf-Ta, expected Hf3TaCo20 to be Hf3TaCo8" +mp-1186866,Rb3Ir,-2.1538382575,0.7911708419,0.7911708419,0.7911708419,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ir-Rb,8.0,AB3_hP8_194_c_h:Ir-Rb +mp-974949,Rb3Ir,-2.154457645,0.7905514544000001,0.7905514544000001,0.7905514544000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Ir-Rb,4.0,AB3_cF16_225_a_bc:Ir-Rb +mp-1207207,Rb(AsIr)2,-6.049581644,-0.4544537955,0.0,-0.1404192573,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ir-Rb,5.0,A2B2C_tI10_139_e_d_a:As-Ir-Rb +mp-1185510,LuScCo2,-6.57178463,-0.3042708262,0.0127425445,0.0127425445,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Lu-Sc,4.0,A2BC_cF16_225_c_a_b:Co-Lu-Sc +mp-1097077,In2HgPb,-1.45177035,0.9281533738,0.9293283704,0.9293283704,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-In-Pb,4.0,AB2C_oI8_71_a_e_b:Hg-In-Pb +mp-1096098,InHg2Pb,-0.920300165,0.8476227175000001,0.8482102158,0.8482102158,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Pb,4.0,A2BC_oI8_71_e_a_b:Hg-In-Pb +mp-1095725,InHgPb2,-1.5005656675,1.1195988912,1.1201863896,1.1201863896,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-In-Pb,4.0,ABC2_oI8_71_a_b_e:Hg-In-Pb +mp-18462,TbGa3Os,-5.476710826,-0.4875065065,0.0,-0.0215612833,GGA,Pm-3m,A3BC_cP15_221_ag_c_d:Ga-Os-Tb,15.0,A3BC_cP15_221_ag_c_d:Ga-Os-Tb +mp-1212561,Ge19(AsBr)4,-4.4205238674,-0.2469640087,0.0,-0.0228209278,GGA,P-43n,A4B4C19_cP54_218_e_ac_dei:As-Br-Ge,54.0,A4B4C19_cP54_218_e_ac_dei:As-Br-Ge +mp-1220433,Nb4CoPt3,-8.66188789,-0.4460206506,0.0558473394,0.0558473394,GGA,Pmm2,AB4C3_oP8_25_a_2b2d_a2c:Co-Nb-Pt,8.0,AB4C3_oP8_25_a_2b2d_a2c:Co-Nb-Pt +mp-1209194,Sm5(In2Pt)2,-5.0295398659,-0.7802732991,0.0,-0.0331311782,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Sm,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Sm +mp-646733,SmInPt,-4.8282049422,-0.3144038806,0.5352798871000001,0.5352798871000001,GGA,P-62m,ABC_hP9_189_g_ac_f:In-Pt-Sm,9.0,ABC_hP9_189_g_ac_f:In-Pt-Sm +mp-1209783,SmIn3Pt,-4.3772979838,-0.5683438548,0.006781797,0.006781797,GGA,Pm-3n,A3BC_cP40_223_k_e_ac:In-Pt-Sm,40.0,A3BC_cP40_223_k_e_ac:In-Pt-Sm +mp-1077380,SmInPt4,-6.0896122617,-0.7971450708000001,0.0,-0.0343881929,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Pt-Sm,6.0,AB4C_cF24_216_a_e_c:In-Pt-Sm +mp-864633,Nd2SnHg,-4.0645127625,-0.6021259912,0.0209451809,0.0209451809,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Nd-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-Nd-Sn +mp-10785,RbLuSe2,-5.05830826,-1.934981373,0.0,-0.1495684975,GGA,R-3m,ABC2_hR12_166_a_b_c:Lu-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Lu-Rb-Se +mp-974966,Rb3Lu,-1.2419262725,0.6237119119,0.6237119119,0.6237119119,GGA,I4/mmm,AB3_tI8_139_a_bd:Lu-Rb,4.0,AB3_tI8_139_a_bd:Lu-Rb +mp-1186850,Rb3Lu,-1.2344104825,0.6312277019,0.6312277019,0.6312277019,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Rb,4.0,AB3_cP4_221_a_c:Lu-Rb +mp-1215360,Zr5Co4Ni,-7.994743304,-0.299552203,0.036108174,0.036108174,GGA,P4/mmm,A4BC5_tP10_123_2g_a_d2h:Co-Ni-Zr,10.0,"Invalid WP multiplicities - A4BC5_tP10_123_3g_a_d4h:Co-Ni-Zr, expected Zr9Co6Ni to be Zr5Co4Ni" +mp-1215600,Zr2CoNi,-7.8975877025,-0.4016237688,0.0,-0.0279145225,GGA,Amm2,ABC2_oC8_38_a_b_ab:Co-Ni-Zr,4.0,ABC2_oC8_38_a_b_ab:Co-Ni-Zr +mp-1215275,ZrCoNi,-7.5033308367,-0.3579458017,0.0266575664,0.0266575664,GGA,Imma,ABC_oI12_74_a_c_e:Co-Ni-Zr,6.0,ABC_oI12_74_a_c_e:Co-Ni-Zr +mp-1215379,Zr4CoNi,-8.132897075,-0.2863542425,0.006031905,0.006031905,GGA,I422,ABC4_tI12_97_a_b_j:Co-Ni-Zr,6.0,ABC4_tI12_97_a_b_j:Co-Ni-Zr +mp-1097258,CdHgPd2,-1.7187105175,1.1778729188,1.4677712975,1.4677712975,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Pd +mp-1183640,CdHgPd2,-3.181272645,-0.2846892087,0.00520917,0.00520917,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Pd +mp-18504,Ca3(GeAs2)2,-4.5434815581,-0.7768894503,0.0,-0.0412012016,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:As-Ca-Ge,36.0,A4B3C2_mP36_14_4e_3e_2e:As-Ca-Ge +mp-1025356,ZnAsPt5,-5.4854361243,-0.3033606079,0.0,-0.0138683673,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:As-Pt-Zn,7.0,AB5C_tP7_123_b_ai_c:As-Pt-Zn +mp-1097493,AlTc2Mo,-5.249321605,3.5788043525,3.889613145,3.889613145,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Mo-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Mo-Tc +mp-1018694,ErZnGa,-3.5331021317,-0.5812493175,0.0,-0.065664688,GGA,P6_3mc,ABC_hP6_186_a_b_b:Er-Ga-Zn,6.0,ABC_hP6_186_a_b_b:Er-Ga-Zn +mp-1018690,ErZnGa,-3.5117352667,-0.5598824525,0.021366865,-0.044297823,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Er-Ga-Zn,6.0,ABC_hP6_194_a_c_d:Er-Ga-Zn +mp-1184077,Er2ZnGa,-3.842147095,-0.4863277819,0.00423731,0.00423731,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Ga-Zn +mp-1212353,Ho6Al43Mo4,-4.6917340144,-0.3155677059,0.0047379348,0.0047379348,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Mo,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Mo +mp-13381,CeZnPd,-4.761088835,-0.6368506433000001,0.002918015,-0.075607936,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Pd-Zn,12.0,ABC_oP12_62_c_c_c:Ce-Pd-Zn +mp-13382,CeZnPd,-4.76400685,-0.6397686583000001,0.0,-0.078525951,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Ce-Pd-Zn +mp-13118,CeZn3Pd2,-3.9178904467,-0.5725431792,0.0,-0.0304760181,GGA,P6/mmm,AB2C3_hP6_191_a_c_g:Ce-Pd-Zn,6.0,AB2C3_hP6_191_a_c_g:Ce-Pd-Zn +mp-12710,PrZnPd,-4.4195019667,-0.6793249083,0.0,-0.069981988,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Pr-Zn,9.0,ABC_hP9_189_ad_f_g:Pd-Pr-Zn +mp-865931,Ti2TcPd,-8.37777576,-0.5448995629,0.0,-0.0231558112,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Pd-Tc-Ti +mp-1211131,Mn8(Al9Zn)3,-4.8524431872000005,-0.1628142247,0.0630355538,0.0630355538,GGA,Cmcm,A27B8C3_oC152_63_c3f2g4h_2c2fg_cf:Al-Mn-Zn,76.0,A27B8C3_oC152_63_c3f2g4h_2c2fg_cf:Al-Mn-Zn +mp-1185238,LiTiPd2,-5.5752136275,-0.5341690017,0.0,-0.0121474537,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Ti,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Ti +mp-1202639,Yb5(Co2Si7)2,-5.2986082522,-0.4253141217,0.0235520278,0.0235520278,GGA,P2_1/c,A4B14C5_mP46_14_2e_7e_a2e:Co-Si-Yb,,A4B14C5_mP46_14_2e_7e_a2e:Co-Si-Yb +mp-5326,Yb(CoSi)2,-5.974177854,-0.6528018680000001,0.0,-0.161585063,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Yb,,A2B2C_tI10_139_d_e_a:Co-Si-Yb +mp-867918,ErPaRu2,-8.5994304275,-0.44163329,0.0,-0.1696904375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Pa-Ru +mp-1198778,Te6RuBr8,-3.3670551152,-0.6631574792,0.0488251495,0.0488251495,GGA,P2_1/c,A8BC6_mP60_14_8e_e_6e:Br-Ru-Te,60.0,A8BC6_mP60_14_8e_e_6e:Br-Ru-Te +mp-631383,MnCrRe,-9.7081145133,0.7117488024,0.7117488024,0.7117488024,GGA,F-43m,ABC_cF12_216_a_b_c:Cr-Mn-Re,3.0,ABC_cF12_216_a_b_c:Cr-Mn-Re +mp-1184245,ErTmTl2,-3.743028585,-0.3008184533,0.0,-0.0079634075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Er-Tl-Tm +mp-1184830,HoTmPd2,-5.7817694975,-0.9272675192,0.019025755,0.019025755,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-Pd-Tm +mp-975605,Pr6IrCl11,-5.5858419544,-2.3715212894,0.0,-0.0316311981,GGA,C2/m,A11BC6_mC36_12_ai2j_c_ij:Cl-Ir-Pr,18.0,"Invalid WP multiplicities - A11BC6_mC36_12_a2i7j_c_2i3j:Cl-Ir-Pr, expected Pr16IrCl33 to be Pr6IrCl11" +mp-862710,Sc2CdTc,-6.20021398,-0.2130972512,0.0463718153,0.0463718153,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Cd-Sc-Tc +mp-1184659,GdDyIn2,-6.4948322375,-0.4482631025,0.0151858475,0.0151858475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Gd-In,4.0,ABC2_cF16_225_a_b_c:Dy-Gd-In +mp-1078889,La(AsIr)2,-7.198392398,-0.812169943,0.0,-0.0412533385,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Ir-La,10.0,A2B2C_tP10_129_ac_bc_c:As-Ir-La +mp-1071028,LaAsIr,-7.1880295117,-1.043509615,0.0006998267,0.0006998267,GGA,I4_1md,ABC_tI12_109_a_a_a:As-Ir-La,6.0,ABC_tI12_109_a_a_a:As-Ir-La +mp-567961,Dy5BiAu2,-4.5020767575,-0.3243033413,0.3729901371,0.3729901371,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Dy,16.0,"Invalid WP multiplicities - A2BC5_tI32_140_h_a_2c2l:Au-Bi-Dy, expected Dy10BiAu2 to be Dy5BiAu2" +mp-1181507,Dy5BiAu2,-4.8734410825,-0.6956676663,0.0016258121,0.0016258121,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Dy,16.0,A2BC5_tI32_140_h_a_cl:Au-Bi-Dy +mp-569501,LiCaBi,-3.4008238208,-0.8158198619,0.0,-0.1025542605,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Ca-Li,12.0,ABC_oP12_62_c_c_c:Bi-Ca-Li +mp-20890,Eu(FeAs)2,-7.886361094,-0.583304888,0.0,-0.0360462623,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Eu-Fe,5.0,A2BC2_tI10_139_e_a_d:As-Eu-Fe +mp-1211018,Lu12Fe2Pb3,-5.0781581824,-0.2352528959,0.0141124906,0.0141124906,GGA,I4/mmm,A2B12C3_tI34_139_e_hn_ac:Fe-Lu-Pb,17.0,A2B12C3_tI34_139_e_hn_ac:Fe-Lu-Pb +mp-1185174,LaEuAu2,-6.2338367925,-0.7986435662,0.0240264963,0.0240264963,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-La,4.0,A2BC_cF16_225_c_a_b:Au-Eu-La +mp-1193169,Ba(TmSe2)2,-5.7820779596000005,-2.23146486,0.0,-0.0427941471,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Se-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-Se-Tm +mp-567780,RbSn2Br5,-3.529149755,-1.4335473259,0.0,-0.0028553459,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-Rb-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_2c2l_a_h:Br-Rb-Sn, expected Rb(SnBr5)2 to be RbSn2Br5" +mp-998157,RbSnBr3,-3.492675132,-1.5628369485,0.0111378265,-0.001889992,GGA,P1,A3BC_aP5_1_3a_a_a:Br-Rb-Sn,5.0,A3BC_mC10_8_ab_a_a:Br-Rb-Sn +mp-998778,RbSnBr3,-3.5038129585,-1.573974775,0.0,-0.0130278185,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Rb-Sn,20.0,A3BC_oP20_62_3c_c_c:Br-Rb-Sn +mp-569028,Rb2SnBr6,-3.3260711867,-1.6273145222,0.0,-0.0489845842,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Rb-Sn,9.0,A6B2C_cF36_225_e_c_a:Br-Rb-Sn +mp-1019138,SmSbTe,-5.3602599967,-1.3632955739,0.0,-0.1047935954,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sb-Sm-Te,6.0,ABC_tP6_129_a_c_c:Sb-Sm-Te +mp-675760,Sm3(Sb7Te12)2,-4.0910983139,-0.4959491138,0.1248946818,0.1248946818,GGA,P1,A14B3C24_aP41_1_14a_3a_24a:Sb-Sm-Te,41.0,A14B3C24_aP41_1_14a_3a_24a:Sb-Sm-Te +mp-1218986,SmSbTe3,-4.65075504,-0.995254029,0.0580068431,0.0580068431,GGA,R3m,ABC3_hR15_160_a_a_3a:Sb-Sm-Te,5.0,ABC3_hR15_160_a_a_3a:Sb-Sm-Te +mp-35197,Sm(SbTe2)2,-4.3259790029000005,-0.6760058331000001,0.1711655335,0.1711655335,GGA,I-42d,A2BC4_tI28_122_d_a_e:Sb-Sm-Te,14.0,A2BC4_tI28_122_d_a_e:Sb-Sm-Te +mp-865696,HoGaRh2,-6.4234135175,-0.8386333594000001,0.0,-0.04109169,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ho-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Ho-Rh +mp-1104770,Ho3Ga8Rh3,-4.9923269771,-0.7019756629,0.0170180907,0.0170180907,GGA,Immm,A8B3C3_oI28_71_2n_ag_bf:Ga-Ho-Rh,14.0,A8B3C3_oI28_71_2n_ag_bf:Ga-Ho-Rh +mp-1212406,Ho2(Ga3Rh)3,-4.8838773496000005,-0.7045483816,0.0,-0.0886600205,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Rh +mp-569811,Yb11GaSb9,-3.7772852964,-1.0570568077,0.0,-0.0435478972,GGA,Iba2,AB9C11_oI84_45_a_b4c_a5c:Ga-Sb-Yb,,"Invalid WP multiplicities - AB9C11_oI84_45_a_2b14c_2a19c:Ga-Sb-Yb, expected Yb40GaSb30 to be Yb11GaSb9" +mp-865076,NaCd2Pt,-2.5640272675,-0.2541677341,0.0,-0.068282605,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Na-Pt,4.0,A2BC_cF16_225_c_a_b:Cd-Na-Pt +mp-1186657,PmTmZn2,-3.26832873,-0.3318624885,0.0,-0.0390975794,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Pm-Tm-Zn +mp-1077599,ScAlGe,-5.4874568117,-0.5870992150000001,0.0,-0.0102116433,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Sc,6.0,ABC_oC12_63_a_c_c:Al-Ge-Sc +mp-21931,Sc11(AlGe4)2,-6.2473328236,-0.8124502210000001,0.0,-0.0180070501,GGA,I4/mmm,A2B8C11_tI84_139_h_deim_eh2n:Al-Ge-Sc,42.0,"Invalid WP multiplicities - A2B8C11_tI84_139_h_deim_eh3n:Al-Ge-Sc, expected Sc15(AlGe4)2 to be Sc11(AlGe4)2" +mp-1097494,MgPd2Pb,-2.6073998,1.310772885,1.8123155639,1.8123155639,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Mg-Pb-Pd +mp-29009,Li2MgBr4,-3.5426604686000003,-1.8811977395,0.0145967357,0.0145967357,GGA,Cmmm,A4B2C_oC14_65_gj_f_a:Br-Li-Mg,7.0,A4B2C_oC14_65_gj_f_a:Br-Li-Mg +mp-1222739,Li2MgBr4,-3.4883046071,-1.8268418781,0.0689525971,0.0689525971,GGA,Imma,A4B2C_oI28_74_hi_ac_b:Br-Li-Mg,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h2i_ac_b:Br-Li-Mg, expected Li2MgBr8 to be Li2MgBr4" +mp-675946,Li2MgBr4,-1.8974080146,-0.2359452856,1.6598491896,1.6598491896,GGA,P4_322,A4B2C_tP28_95_2d_2a_b:Br-Li-Mg,28.0,"Invalid WP multiplicities - A4B2C_tP28_95_7d_4a_b:Br-Li-Mg, expected Li4MgBr14 to be Li2MgBr4" +mp-29008,Li6MgBr8,-3.5648726247,-1.8663363653,0.0198896627,0.0198896627,GGA,Fm-3m,A8B6C_cF60_225_ce_d_a:Br-Li-Mg,15.0,A8B6C_cF60_225_ce_d_a:Br-Li-Mg +mp-1071720,ScZnPd,-4.98004961,-0.7226847683000001,0.0,-0.0528676146,GGA,Cmcm,ABC_oC12_63_c_c_a:Pd-Sc-Zn,6.0,ABC_oC12_63_c_c_a:Pd-Sc-Zn +mp-973142,ScZn2Pd,-4.0517158175,-0.5437562837000001,0.0281046773,0.0281046773,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Pd-Sc-Zn +mp-1095747,Sc2ZnPd,-2.9312825175,1.84485839,2.4895265175,2.4895265175,GGA,Immm,AB2C_oI8_71_a_e_b:Pd-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Pd-Sc-Zn +mp-1186962,Sc2ZnPd,-5.4107118975,-0.6345709900000001,0.0100971375,0.0100971375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Pd-Sc-Zn +mp-867135,ScZnPd2,-5.276540995,-0.7885469113,0.0,-0.045963185,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Pd-Sc-Zn +mp-1224401,HfTiFe4,-8.9247088933,-0.3025812456,0.01217417,0.01217417,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Hf-Ti,12.0,A4BC_hP12_164_abi_d_d:Fe-Hf-Ti +mp-1096589,HfTiFe2,-5.40989012,3.2882907467,3.6308574547,3.6308574547,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Hf-Ti,4.0,A2BC_oI8_71_e_a_b:Fe-Hf-Ti +mp-1093715,TiBeAu2,-2.823883415,1.7217838054,2.0668412615,2.0668412615,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Be-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Be-Ti +mp-866218,Ti2MnRh,-8.6520633325,-0.5727365336,0.0,-0.0506731341,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Rh-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Rh-Ti +mp-865523,TiMnRh2,-8.51700028,-0.5704695178,0.0,-0.0234968822,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Ti +mp-865468,Pm2SiPd,-5.6729580375,-0.6463869162,0.0,-0.2181360929,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Pd-Pm-Si +mp-1205037,Dy11(In3Si2)2,-4.8165356181,-0.5838675352,0.0,-0.0137762738,GGA,I4/mmm,A11B6C4_tI84_139_eh2n_hm_dei:Dy-In-Si,42.0,A11B6C4_tI84_139_eh2n_hm_dei:Dy-In-Si +mp-581736,Eu(SiRu)2,-8.667332374,-0.7360437860000001,0.0,-0.2380218935,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Ru-Si +mp-21248,NbSiIr,-8.9809841967,-0.8592984467,0.0,-0.2122616194,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Nb-Si,12.0,ABC_oP12_62_c_c_c:Ir-Nb-Si +mp-865639,LuPaRu2,-8.63814163,-0.492036565,0.0,-0.19024861,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Lu-Pa-Ru +mp-972649,SmHoRu2,-7.21665485,-0.2542048287,0.0663886554,0.0663886554,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Sm,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Sm +mp-866110,Ho2OsRu,-7.6312942475,-0.21464732,0.1367871652,0.1367871652,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Os-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Os-Ru +mp-984335,PmErIn2,-4.16491744,-0.4595102919,0.0,-0.0955055063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Pm,4.0,AB2C_cF16_225_a_c_b:Er-In-Pm +mp-631462,BeTcSe,-5.44846839,0.4168527059,1.1031112817,1.1031112817,GGA,F-43m,ABC_cF12_216_c_a_b:Be-Se-Tc,3.0,ABC_cF12_216_c_a_b:Be-Se-Tc +mp-1008524,BeSe,-4.148014455,-0.5303522837,0.49903558,-0.5303522837,GGA,P6_3/mmc,AB_hP4_194_a_c:Be-Se,4.0,AB_hP4_194_a_c:Be-Se +mp-1541,BeSe,-4.647050035,-1.0293878637,0.0,-1.0293878637,GGA,F-43m,AB_cF8_216_a_c:Be-Se,2.0,AB_cF8_216_a_c:Be-Se +mp-11335,BeSe,-4.10201074,-0.4843485687,0.545039295,-0.4843485687,GGA,Fm-3m,AB_cF8_225_a_b:Be-Se,2.0,AB_cF8_225_a_b:Be-Se +mp-862922,PmInNi2,-5.05230145,-0.2866765969,0.0,-0.0044692592,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-Pm,4.0,AB2C_cF16_225_a_c_b:In-Ni-Pm +mp-865971,Li2CeTl,-3.1659415425,-0.1375470338,0.0603548125,0.0603548125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Ce-Li-Tl +mp-867295,LiCeTl2,-3.4179659925,-0.2761414138,0.0,-0.0316628256,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Ce-Li-Tl +mp-865924,LiZrAu2,-4.7869430775,-0.5358462033,0.0,-0.0167226225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Zr,4.0,A2BC_cF16_225_c_a_b:Au-Li-Zr +mp-1227074,CeCdIn,-3.503781125,-0.30122691,0.0115272467,0.0115272467,GGA,P-3m1,ABC_hP6_164_d_c_d:Cd-Ce-In,6.0,ABC_hP6_164_d_c_d:Cd-Ce-In +mp-1183867,Ce2CdIn,-4.1024527125,-0.2172647625,0.0431774513,0.0431774513,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ce-In,4.0,AB2C_cF16_225_a_c_b:Cd-Ce-In +mp-1100408,TaSnRh,-8.18722276,-0.443336975,0.0,-0.0932873673,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sn-Ta,3.0,ABC_cF12_216_c_a_b:Rh-Sn-Ta +mp-9743,SrAsPd,-4.8085393183,-0.9657080956,0.0,-0.1137914941,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Pd-Sr,6.0,ABC_hP6_194_c_d_a:As-Pd-Sr +mp-4370,Sr(AsPd)2,-5.048355796,-0.7748570193000001,0.0,-0.0562072985,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Pd-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Pd-Sr +mp-30692,GdTlPd,-7.8670177111,-0.6608019789,0.0,-0.0615320608,GGA,P-62m,ABC_hP9_189_f_ad_g:Gd-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Gd-Pd-Tl +mp-1224498,Hf5Zr5Ga6,-7.4004305325,-0.4821165053,0.0017049364,0.0017049364,GGA,Amm2,A6B5C5_oC32_38_abde_af_bde:Ga-Hf-Zr,16.0,A6B5C5_oC32_38_abde_af_bde:Ga-Hf-Zr +mp-978516,SmAg2Hg,-2.9392483675000003,-0.2674037408,0.0402961463,0.0402961463,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Hg-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Hg-Sm +mp-978545,Sm2AgHg,-3.5262108225,-0.3828586629,0.0,-0.0891774281,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Sm +mp-867218,SmAgHg2,-2.3983132275,-0.3586875104,0.0,-0.0144705285,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Sm +mp-1069824,Ca2CdPt2,-4.237005248,-0.8217340160000001,0.0,-0.0367355273,GGA,Immm,A2BC2_oI10_71_e_c_g:Ca-Cd-Pt,5.0,A2BC2_oI10_71_e_c_g:Ca-Cd-Pt +mp-1103046,CaCdPt,-3.7193751892,-0.7195008692,0.0,-0.0271948128,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Cd-Pt,12.0,ABC_oP12_62_c_c_c:Ca-Cd-Pt +mp-1192828,Ca3(Cd2Pt)4,-3.0085396917,-0.4962429583,0.0,-0.0151273035,GGA,Fm-3m,A3B8C4_cF120_225_e_2f_abd:Ca-Cd-Pt,30.0,A3B8C4_cF120_225_e_2f_abd:Ca-Cd-Pt +mp-1208961,SmIn2Cl5,-4.3842438262,-1.9511642144,0.0,-0.060715873,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-In-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Cl-In-Sm +mp-2646994,Zr4CuPd,-7.539584365,-0.2946025317,0.01647482,0.01647482,GGA,I422,ABC4_tI12_97_a_b_j:Cu-Pd-Zr,6.0,ABC4_tI12_97_a_b_j:Cu-Pd-Zr +mp-1097521,Ca2TlGa,-1.037468025,1.3130167073,1.7736852825,1.7736852825,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ga-Tl,4.0,A2BC_oI8_71_e_a_b:Ca-Ga-Tl +mp-867299,Eu2HgGe,-6.9778332875,-0.6176553325,0.0173066,0.0173066,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Ge-Hg,4.0,A2BC_cF16_225_c_a_b:Eu-Ge-Hg +mp-1186332,NdTm3,-4.53377186,0.0151415656,0.0151415656,0.0151415656,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Tm,8.0,AB3_hP8_194_c_h:Nd-Tm +mp-973232,NdTm3,-4.5198810025,0.0290324231,0.0290324231,0.0290324231,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Tm,4.0,AB3_cP4_221_a_c:Nd-Tm +mp-1220270,Nd2Tm,-4.63895755,0.0317525461,0.0317525461,0.0317525461,GGA,R-3m,A2B_hR9_166_c_a:Nd-Tm,3.0,A2B_hR9_166_c_a:Nd-Tm +mp-1186286,Nd3Tm,-4.6698946262,0.025174804,0.025174804,0.025174804,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Tm,8.0,A3B_hP8_194_h_c:Nd-Tm +mp-1186331,NdTm,-4.58625274,0.0357386879,0.0357386879,0.0357386879,GGA,P-6m2,AB_hP2_187_a_d:Nd-Tm,2.0,AB_hP2_187_a_d:Nd-Tm +mp-976008,NdTmMg2,-3.1971147225,-0.0859789835,0.0037078508,0.0037078508,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Tm,4.0,A2BC_cF16_225_c_a_b:Mg-Nd-Tm +mp-23376,GaSeBr7,-2.896661835,-0.9638611894,0.0237367918,0.0237367918,GGA,Pc,A7BC_mP18_7_7a_a_a:Br-Ga-Se,18.0,A7BC_mP18_7_7a_a_a:Br-Ga-Se +mp-1186174,NaPm2Sn,-4.0392598925,-0.3309644441,0.01748895,0.01748895,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Na-Pm-Sn +mp-984704,CaAgHg2,-1.6950076200000002,-0.3336284667,0.0169084723,0.0169084723,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ca-Hg,4.0,ABC2_cF16_225_a_b_c:Ag-Ca-Hg +mp-1097367,Ca2SnAu,-1.949157265,0.8745061388,1.6038632012,1.6038632012,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-Sn,4.0,AB2C_oI8_71_a_e_b:Au-Ca-Sn +mp-977359,CaSnAu2,-3.733149965,-0.5924160312,0.0,-0.0028401303,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Ca-Sn +mp-1071278,CaSnAu,-3.82134287,-0.724991625,0.0129781142,-0.1140105558,GGA,Imm2,ABC_oI12_44_c_ab_c:Au-Ca-Sn,6.0,ABC_oI12_44_c_ab_c:Au-Ca-Sn +mp-29561,CaSnAu,-3.8343209842,-0.7379697392,0.0,-0.12698867,GGA,Pnma,ABC_oP60_62_5c_5c_5c:Au-Ca-Sn,60.0,ABC_oP60_62_5c_5c_5c:Au-Ca-Sn +mp-4410,Yb(Al2Mo)2,-5.7386960143,-0.2796657543,0.0344895058,0.0344895058,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:Al-Mo-Yb,,A4B2C_tI14_139_h_d_a:Al-Mo-Yb +mp-1204409,Yb6Al43Mo4,-4.2963353601,-0.2646370429,0.0,-0.0195686195,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Yb +mp-1187964,Yb3Mo,-3.284472285,0.5816464525,0.5816464525,0.5816464525,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-Yb,,AB3_cF16_225_a_bc:Mo-Yb +mp-1209309,Pr(Al5Os)2,-5.4341923562,-0.4579309012,0.0,-0.0325689017,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Os-Pr,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Os-Pr +mp-1209374,Pr3(Al3Os)4,-6.042369725,-0.5582067279,0.0,-0.0441582147,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Pr,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Pr +mp-865649,Ti2TcRh,-9.1121281025,-0.7331453904,0.0,-0.1141760275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Rh-Tc-Ti +mp-1027921,Mg14ZrSn,-2.2192965381,-0.0342219641,0.0626433983,0.0626433983,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-Zr, expected Mg18ZrSn to be Mg14ZrSn" +mp-1027918,Mg14ZrSn,-2.1997703663,-0.0146957922,0.0821695702,0.0821695702,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-Zr, expected Mg26ZrSn to be Mg14ZrSn" +mp-1022531,Mg6ZrSn,-2.8197129806000003,-0.0498438825,0.1166316923,0.1166316923,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-Zr, expected Mg12ZrSn to be Mg6ZrSn" +mp-1022543,Mg6ZrSn,-2.8082525825,-0.0383834844,0.1280920905,0.1280920905,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-Zr, expected Mg12ZrSn to be Mg6ZrSn" +mp-1095717,AlZnAu2,-2.105494565,0.782776295,1.0884163325,1.0884163325,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Au-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Au-Zn +mp-1183478,CaDyZn2,-2.5806332525,-0.2976647675,0.0044779662,0.0044779662,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Dy-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Dy-Zn +mp-864597,LiMgTl2,-2.2088713375,-0.150249035,0.0,-0.017205135,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Mg-Tl +mp-1222613,Li2MgTl,-2.15786093,-0.2126686975,0.0,-0.0290106419,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Tl,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Tl +mp-2987,Li2MgTl,-2.1411877125,-0.19599548,0.0166732175,-0.0123374244,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Mg-Tl +mp-30759,LiMg2Tl,-1.97154484,-0.1035133117,0.0268197761,0.0268197761,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Tl,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Tl +mp-13357,Yb2MgSi2,-3.4861141140000003,-0.38008758,0.0788306055,0.0788306055,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Si-Yb,,AB2C2_tP10_127_a_g_h:Mg-Si-Yb +mp-1215837,Yb7Mg3Si8,-3.63742192,-0.3607195672,0.0840649074,0.0840649074,GGA,P2_1,A3B8C7_mP36_4_3a_8a_7a:Mg-Si-Yb,,A3B8C7_mP36_4_3a_8a_7a:Mg-Si-Yb +mp-864619,YbMgSi,-3.2759011742,-0.4208323875,0.0,-0.0695507649,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Si-Yb,,ABC_oP12_62_c_c_c:Mg-Si-Yb +mp-1187199,Ta3Bi,-9.52168631,0.331769195,0.331769195,0.331769195,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Ta,4.0,AB3_cP4_221_a_c:Bi-Ta +mp-631451,Ta2CdBi,-6.3567382475,0.76299529,0.76299529,0.76299529,GGA,F-43m,ABC2_cF16_216_a_c_bd:Bi-Cd-Ta,4.0,ABC2_cF16_216_a_c_bd:Bi-Cd-Ta +mp-1183199,AcTlRh2,-5.6293086625,-0.326200189,0.0,-0.2937396697,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Rh-Tl +mp-862661,LiEr2Ru,-5.39937128,-0.3196805233,0.0,-0.0288931193,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Li-Ru +mp-974065,LuScPd2,-6.236134225,-0.9328384137,0.0082007875,0.0082007875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Lu-Pd-Sc +mp-640447,Ce5NiPb3,-5.5574102217,-0.3814631478,0.0,-0.0399567227,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ce-Ni-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d2g_b_g:Ce-Ni-Pb, expected Ce10NiPb3 to be Ce5NiPb3" +mp-1215849,Yb5ErCl13,-4.7436218421,-2.8332672742,0.0112808747,0.0112808747,GGA,P1,A13BC5_aP38_1_26a_2a_10a:Cl-Er-Yb,,A13BC5_aP38_1_26a_2a_10a:Cl-Er-Yb +mp-680254,Yb7Cl15,-4.5069726966,-2.7567314302,0.0031922955,0.0031922955,GGA,Pnma,A15B7_oP88_62_c7d_c3d:Cl-Yb,,"Invalid WP multiplicities - A15B7_oP88_62_4c49d_4c19d:Cl-Yb, expected Yb7Cl17 to be Yb7Cl15" +mp-1025388,YbCl3,-3.8814440262,-2.1101394613,0.0583720375,0.0583720375,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Yb,,A3B_mC16_12_ij_g:Cl-Yb +mp-1025400,YbCl3,-3.8300424038,-2.0587378387,0.10977366,0.10977366,GGA,Cmcm,A3B_oC16_63_cf_c:Cl-Yb,,A3B_oC16_63_cf_c:Cl-Yb +mp-1187659,YbCl3,-3.6332444263,-1.8619398612,0.3065716375,0.3065716375,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Yb,,A3B_hP8_194_h_c:Cl-Yb +mp-23220,YbCl2,-4.6272866746,-2.8817261413,0.0096225238,-0.1862554095,GGA,Pbca,A2B_oP24_61_2c_c:Cl-Yb,,A2B_oP24_61_2c_c:Cl-Yb +mp-865716,YbCl2,-4.6369091983,-2.891348665,0.0,-0.1958779332,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Yb,,A2B_tP6_136_f_a:Cl-Yb +mp-722729,Yb6Cl13,-4.4624868279,-2.7115064984,0.0276659211,0.0276659211,GGA,P-1,A13B6_aP38_2_13i_6i:Cl-Yb,,A13B6_aP38_2_13i_6i:Cl-Yb +mp-582735,Yb8Cl17,-4.4910827082,-2.7414031298,0.0342915886,0.0342915886,GGA,C2/c,A17B8_mC100_15_e8f_4f:Cl-Yb,,"Invalid WP multiplicities - A17B8_mC100_15_2e30f_13f:Cl-Yb, expected Yb13Cl31 to be Yb8Cl17" +mp-865623,Lu2IrRh,-7.3372524475,-1.026091675,0.0,-0.0053544075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Lu-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Lu-Rh +mp-1186659,PmTmTl2,-3.8252276475,-0.3373116377,0.0,-0.0580185877,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Pm-Tl-Tm +mp-631269,LiIrRh,-5.4387661933,0.5984554456,0.7929151483,0.7929151483,GGA,F-43m,ABC_cF12_216_a_c_b:Ir-Li-Rh,3.0,ABC_cF12_216_a_c_b:Ir-Li-Rh +mp-1102430,SbTeIr,-5.9902942642,-0.6200471597,0.0,-0.0751954712,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-Sb-Te,12.0,ABC_cP12_198_a_a_a:Ir-Sb-Te +mp-977543,ZrInRh2,-7.2287882125,-0.7217881875000001,0.0,-0.0945631246,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:In-Rh-Zr +mp-632693,Zr5(In2Rh)2,-6.7540988759000005,-0.5292030750000001,0.0,-0.05213666,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Rh-Zr,22.0,"Invalid WP multiplicities - A4B2C5_oP22_55_5g_g_2b8h:In-Rh-Zr, expected Zr9In5Rh to be Zr5(In2Rh)2" +mp-867292,Ga2RuRh,-6.2090279675,-0.5353023537,0.0,-0.0403045356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Ga-Rh-Ru +mp-1183185,AcYbAu2,-3.9222764575,-0.8701396356000001,0.0,-0.1625196108,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Yb,,AB2C_cF16_225_a_c_b:Ac-Au-Yb +mp-984104,Dy2IrAu,-6.1719685175,-0.8404960525,0.0114101453,0.0114101453,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Dy-Ir,4.0,AB2C_cF16_225_a_c_b:Au-Dy-Ir +mp-22017,LaIn2Ir,-5.3986146925,-0.5791625062,0.0,-0.0368057518,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ir-La,8.0,A2BC_oC16_63_f_c_c:In-Ir-La +mp-20911,LaIn5Ir,-4.3375029271,-0.4042372221,0.0,-0.0495105466,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Ir-La,7.0,"Invalid WP multiplicities - A5BC_tP7_123_c2i_b_a:In-Ir-La, expected LaIn9Ir to be LaIn5Ir" +mp-1018136,LaBiPt,-6.01132509,-1.0621152383,0.0,-0.080665529,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-La-Pt,3.0,ABC_cF12_216_a_b_c:Bi-La-Pt +mp-1189173,La3Bi4Pt3,-5.7732521795,-0.9349144,0.0217308017,0.0217308017,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-La-Pt,20.0,A4B3C3_cI40_220_c_a_b:Bi-La-Pt +mp-865446,Lu2AgHg,-3.459655515,-0.4151211629,0.0,-0.0513072713,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Lu +mp-1185507,LuAgHg2,-2.2780838825,-0.2878670692,0.0,-0.0387757934,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Lu,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Lu +mp-1184769,HoErIr2,-7.5925523175,-0.8858033075,0.01821016,0.01821016,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Ir,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Ir +mp-568634,Yb3(Ga2Ge3)2,-3.8458246469,-0.4251034115,0.0035903572,0.0035903572,GGA,C2/m,A4B6C3_mC52_12_4i_6i_3i:Ga-Ge-Yb,,"Invalid WP multiplicities - A4B6C3_mC52_12_6i_12i_6i:Ga-Ge-Yb, expected YbGaGe2 to be Yb3(Ga2Ge3)2" +mp-1104748,Yb(Ga2Ge)2,-3.4930606621,-0.2219109364,0.0704099121,0.0704099121,GGA,I4cm,A4B2C_tI28_108_2ac_c_b:Ga-Ge-Yb,,A4B2C_tI28_108_2ac_c_b:Ga-Ge-Yb +mp-567831,YbGa2Ge3,-3.8811805475,-0.3036998992,0.0137694731,0.0137694731,GGA,Cmc2_1,A2B3C_oC48_36_4a_6a_2a:Ga-Ge-Yb,,"Invalid WP multiplicities - A2B3C_oC48_36_7a_9a_4a:Ga-Ge-Yb, expected Yb4Ga7Ge9 to be YbGa2Ge3" +mp-12846,YbGaGe,-3.6749445125,-0.6113671267,0.0,-0.0472112038,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ga-Ge-Yb,,ABC_hP12_194_f_f_ab:Ga-Ge-Yb +mp-20001,SrSnPt,-4.7777316167,-0.8543320739,0.0,-0.0852258538,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Sn-Sr,12.0,ABC_oP12_62_c_c_c:Pt-Sn-Sr +mp-1203634,Sr6Sn12Pt11,-5.0995921933,-0.7880649691,0.0,-0.0526772897,GGA,Ibam,A11B12C6_oI116_72_ahijk_fj2k_jk:Pt-Sn-Sr,58.0,A11B12C6_oI116_72_ahijk_fj2k_jk:Pt-Sn-Sr +mp-1054555,CaCeHg2,-2.259334345,-0.1228219037,0.32250873,0.295886515,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Ce-Hg,4.0,ABC2_mC8_12_a_d_i:Ca-Ce-Hg +mp-866040,CaCeHg2,-2.581843075,-0.4453306337,0.0,-0.026622215,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-Hg,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-Hg +mp-1093734,Sr2LiPb,-1.1374350425,1.1127041683,1.5180125142,1.5180125142,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pb-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Pb-Sr +mp-867174,SrLi2Pb,-2.70088015,-0.3958835858,0.0,-0.0078210824,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Sr,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Sr +mp-984635,LiErSn,-4.1303836521,-0.6349791415,0.0,-0.0706191953,GGA,P6_3mc,ABC_hP24_186_ac_bc_bc:Er-Li-Sn,24.0,ABC_hP24_186_2a2c_2b2c_2b2c:Er-Li-Sn +mp-1080658,LiErSn2,-4.0095926525,-0.3856463058,0.1501516031,0.1501516031,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Er-Li-Sn,8.0,ABC2_oC16_63_c_c_2c:Er-Li-Sn +mp-1096400,Cs2CdHg,-0.335046785,0.4192969323,0.5390312304,0.5390312304,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Cs-Hg,4.0,AB2C_oI8_71_a_e_b:Cd-Cs-Hg +mp-1225895,CsRb,-0.90977535,0.0281928723,0.0281928723,0.0281928723,GGA,Cmmm,AB_oC4_65_a_c:Cs-Rb,2.0,AB_oC4_65_a_c:Cs-Rb +mp-1097089,CsRbNa2,-0.59507182,0.5351749379,0.5351749379,0.5351749379,GGA,Immm,AB2C_oI8_71_a_e_b:Cs-Na-Rb,4.0,AB2C_oI8_71_a_e_b:Cs-Na-Rb +mp-862689,Cs3Rb,-0.8602120062,0.0564732909,0.0564732909,0.0564732909,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-Rb,8.0,A3B_hP8_194_h_c:Cs-Rb +mp-1097263,Cs2RbNa,-0.5059148050000001,0.5175512225000001,0.5175512225000001,0.5175512225000001,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-Na-Rb,4.0,A2BC_oI8_71_e_a_b:Cs-Na-Rb +mp-1184016,CsRb3,-0.9169743475,0.0422767999,0.0422767999,0.0422767999,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-Rb,4.0,AB3_tI8_139_a_bd:Cs-Rb +mp-1183963,CsRb3,-0.9129899475,0.0462611999,0.0462611999,0.0462611999,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cs-Rb,8.0,AB3_hP8_194_c_h:Cs-Rb +mp-1183945,CsRb3,-0.9351089375,0.0241422099,0.0241422099,0.0241422099,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Rb,4.0,AB3_cP4_221_a_c:Cs-Rb +mp-1185559,CsRb3,-0.95275256,0.0064985874,0.0064985874,0.0064985874,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Rb,4.0,AB3_cF16_225_a_bc:Cs-Rb +mp-1211864,La4CdNi,-4.6547816725,-0.2469391958,0.0,-0.0021148505,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-La-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-La-Ni +mp-1204376,La(Cd10Ni)2,-1.6184444802,-0.09870206,0.0,-0.0102343643,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Cd-La-Ni,46.0,A20BC2_cF184_227_cfg_a_d:Cd-La-Ni +mp-1213625,La23Cd4Ni7,-4.8828215096,-0.2451544738,0.0,-0.0042464201,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-La-Ni,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-La-Ni +mp-1207146,La2CdNi2,-4.841890298,-0.370854832,0.0,-0.0274102103,GGA,Cmmm,AB2C2_oC10_65_a_h_g:Cd-La-Ni,5.0,AB2C2_oC10_65_a_h_g:Cd-La-Ni +mp-1189496,Rb3Pd,-1.8345821063,0.1957889006,0.1957889006,0.1957889006,GGA,I4/mmm,AB3_tI32_139_abc_hn:Pd-Rb,16.0,AB3_tI32_139_abc_hn:Pd-Rb +mp-1179774,Rb3Pd,-1.8376947956,0.1926762112,0.1926762112,0.1926762112,GGA,Im-3,AB3_cI32_204_ab_g:Pd-Rb,16.0,AB3_cI32_204_ab_g:Pd-Rb +mp-1070356,Rb2Te2Pd,-3.655469976,-0.9699576277,0.0,-0.056756374,GGA,Immm,AB2C2_oI10_71_a_f_h:Pd-Rb-Te,5.0,AB2C2_oI10_71_a_f_h:Pd-Rb-Te +mp-730208,Rb2Pd,-2.2788285467,0.101488105,0.101488105,0.101488105,GGA,R-3m,AB2_hR9_166_a_c:Pd-Rb,3.0,AB2_mC6_12_a_i:Pd-Rb +mp-1062711,Rb2Pd,-2.2799302133,0.1003864383,0.1003864383,0.1003864383,GGA,Fm-3m,AB2_cF12_225_a_c:Pd-Rb,3.0,AB2_cF12_225_a_c:Pd-Rb +mp-1212033,La23Mg4Pt7,-5.3399635974,-0.5626925134,0.0,-0.0017929394,GGA,P6_3mc,A23B4C7_hP68_186_ab7c_ac_b2c:La-Mg-Pt,68.0,A23B4C7_hP68_186_ab7c_ac_b2c:La-Mg-Pt +mp-865997,YbPrZn2,-2.5457536975,-0.3357533837,0.0,-0.0193514675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pr-Yb-Zn,,ABC2_cF16_225_a_b_c:Pr-Yb-Zn +mp-1187380,TbTa3,-9.639367925,0.4125568225,0.4125568225,0.4125568225,GGA,Fm-3m,A3B_cF16_225_ac_b:Ta-Tb,4.0,A3B_cF16_225_ac_b:Ta-Tb +mp-1208500,Tb6Ta4Al43,-4.7687964739,-0.3103612322,0.0,-0.0168419948,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Tb,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Tb +mp-1097502,TiAlTc2,-4.9452313025,3.1453551317,3.5951764936,3.5951764936,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Al-Tc-Ti +mp-861637,Ti2AlTc,-7.934918165,-0.4606184629,0.0,-0.0088628975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Al-Tc-Ti +mp-1228909,Al3SiPd4,-5.4940843063,-0.8213877113,0.0,-0.010021925,GGA,R3,A3B4C_hR24_146_b_ab_a:Al-Pd-Si,8.0,A3B4C_hR24_146_b_ab_a:Al-Pd-Si +mp-18663,Al17(SiPd2)4,-4.837277615,-0.4643425905,0.0834200183,0.0834200183,GGA,I4_1/a,A17B8C4_tI116_88_a4f_2f_f:Al-Pd-Si,58.0,A17B8C4_tI116_88_a4f_2f_f:Al-Pd-Si +mp-1228117,Al4SiPd,-4.5710335233,-0.3064496633,0.0315174271,0.0315174271,GGA,R-3m,A4BC_hR18_166_2c_a_b:Al-Pd-Si,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:Al-Pd-Si, expected Al6SiPd to be Al4SiPd" +mp-973285,HoLuAu2,-4.7966248325,-0.883843985,0.0143921375,0.0143921375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Au-Ho-Lu +mp-1223029,LaThPb6,-4.66783181,-0.3396133381,0.0024149812,0.0024149812,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:La-Pb-Th,8.0,AB6C_tP8_123_a_cdi_b:La-Pb-Th +mp-1183784,Ce3Cl,-5.30560555,-0.3936545188,0.5086074908,0.5086074908,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Cl,4.0,A3B_cP4_221_c_a:Ce-Cl +mp-582011,CeCl3,-5.5764608125,-2.7067860287,0.0,-2.5755678558,GGA,P6_3/m,AB3_hP8_176_c_h:Ce-Cl,8.0,AB3_hP8_176_c_h:Ce-Cl +mp-570796,SbCl5,-3.3849491167,-1.1563350267,0.0025457433,-0.2701528833,GGA,P2_1/c,A5B_mP48_14_10e_2e:Cl-Sb,48.0,"Invalid WP multiplicities - A5B_mP48_14_36e_7e:Cl-Sb, expected Sb7Cl36 to be SbCl5" +mp-23176,SbCl5,-3.38749486,-1.15888077,0.0,-0.2726986267,GGA,P6_3/mmc,A5B_hP12_194_fh_c:Cl-Sb,12.0,"Invalid WP multiplicities - A5B_hP12_194_f2h_c:Cl-Sb, expected SbCl8 to be SbCl5" +mp-567514,Ce9Sb16Cl3,-5.6174224145,-1.1528712639,0.0082557273,0.0082557273,GGA,P6_3/m,A9B3C16_hP56_176_3h_h_c5h:Ce-Cl-Sb,56.0,"Invalid WP multiplicities - A9B3C16_hP56_176_12h_h_c25h:Ce-Cl-Sb, expected Ce36Sb76Cl3 to be Ce9Sb16Cl3" +mp-22872,SbCl3,-3.74792602,-1.329273215,0.0,-0.286280522,GGA,Pnma,A3B_oP16_62_cd_c:Cl-Sb,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:Cl-Sb, expected SbCl5 to be SbCl3" +mp-1093807,Be2CoRh,-2.8505157625,2.6373470862,3.0941926875,3.0941926875,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Co-Rh,4.0,A2BC_oI8_71_e_a_b:Be-Co-Rh +mp-1080116,SmCuSb2,-5.0188526813,-0.74990386,0.0,-0.0402084306,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Cu-Sb-Sm +mp-1188666,Sm3Cu3Sb4,-5.132481884,-0.8355435465000001,0.0,-0.0287987815,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Cu-Sb-Sm,20.0,A3B4C3_cI40_220_a_c_b:Cu-Sb-Sm +mp-1187585,Tm2RuAu,-6.02437683,-0.6493879833,0.0,-0.0004712919,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Au-Ru-Tm +mp-1097284,AgSnRh2,-3.1130113075,2.2796745921,2.5516554921,2.5516554921,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Rh-Sn,4.0,AB2C_oI8_71_a_e_b:Ag-Rh-Sn +mp-1205332,Te6RhBr3,-3.6012551545,-0.5129323325,0.0637437659,0.0637437659,GGA,R-3c,A3BC6_hR60_167_e_a_f:Br-Rh-Te,20.0,A3BC6_hR60_167_e_a_f:Br-Rh-Te +mp-1187327,TbDyHg2,-2.940441455,-0.4783130375,0.0077238975,0.0077238975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Tb,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Tb +mp-1186749,PrHoIn2,-4.178364195,-0.4616936738,0.0,-0.0002112025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Pr,4.0,AB2C_cF16_225_a_c_b:Ho-In-Pr +mp-1016655,HfMg6Mo,-3.5578828875,0.2426820425,0.2896000256,0.2896000256,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Mo, expected HfMg12Mo to be HfMg6Mo" +mp-1016660,HfMg6Mo,-3.6202422825,0.1803226475,0.2272406306,0.2272406306,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Mo, expected HfMg12Mo to be HfMg6Mo" +mp-1026482,HfMg14Mo,-2.5883754838,0.1120470063,0.1453085645,0.1453085645,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Mo, expected HfMg18Mo to be HfMg14Mo" +mp-1026464,HfMg14Mo,-2.5304127831,0.1700097069,0.2032712651,0.2032712651,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Mo, expected HfMg26Mo to be HfMg14Mo" +mp-1186472,Pm2MgRu,-5.19061466,-0.0966728512,0.0,-0.0369715573,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Mg-Pm-Ru +mp-29359,Na2PdCl4,-3.7701575954,-1.5960034472,0.0,-0.0089955704,GGA,P4/ncc,A4B2C_tP28_130_g_f_c:Cl-Na-Pd,28.0,A4B2C_tP28_130_g_f_c:Cl-Na-Pd +mp-972062,YbTmHg2,-2.214675495,-0.5589743867,0.00088881,0.00088881,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tm-Yb,,A2BC_cF16_225_c_a_b:Hg-Tm-Yb +mp-1079880,ErPdPb,-5.2003436678,-0.7135944378,0.0,-0.0090935694,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-Pb-Pd,9.0,ABC_hP9_189_f_g_ad:Er-Pb-Pd +mp-31090,Er2Pd2Pb,-5.486970704,-0.8454010420000001,0.0,-0.0447866453,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Er-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Er-Pb-Pd +mp-1206593,ErPd2Pb,-5.36902714,-0.708994765,0.0167336417,0.0167336417,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Er-Pb-Pd +mp-1213066,ErNiPb,-5.078762315,-0.3919281283,0.0046706369,0.0046706369,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ni-Pb,12.0,ABC_oP12_62_c_c_c:Er-Ni-Pb +mp-570864,Er5NiPb3,-4.9304320483,-0.513024055,0.0,-0.0109206621,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Er-Ni-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_3d3g_b_g:Er-Ni-Pb, expected Er15NiPb3 to be Er5NiPb3" +mp-868003,LaInAu2,-4.26316504,-0.7043013312,0.0,-0.0433400687,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-La,4.0,A2BC_cF16_225_c_a_b:Au-In-La +mp-21523,La(In2Au)2,-3.6713775979,-0.4584481657,0.0,-0.0232114493,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Au-In-La,28.0,A2B4C_oP28_62_2c_4c_c:Au-In-La +mp-21438,LaInAu,-4.4084071856,-0.7545495739,0.0,-0.0863248147,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-La,9.0,ABC_hP9_189_ad_g_f:Au-In-La +mp-866195,Li2LaTl,-3.0463165775,-0.2671925812,0.0,-0.0341311033,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Li-Tl,4.0,AB2C_cF16_225_a_c_b:La-Li-Tl +mp-1093905,LiLa2Tl,-1.5620346,1.9738604558,2.227604715,2.227604715,GGA,Immm,A2BC_oI8_71_e_a_b:La-Li-Tl,4.0,A2BC_oI8_71_e_a_b:La-Li-Tl +mp-1097470,LiLaTl2,-1.4935757625,1.3989783037,1.75950912,1.7526086838,GGA,Immm,ABC2_oI8_71_a_b_e:La-Li-Tl,4.0,ABC2_oI8_71_a_b_e:La-Li-Tl +mp-1185376,LiLaTl2,-3.2530848825,-0.3605308163,0.0,-0.0069004362,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Li-Tl,4.0,ABC2_cF16_225_a_b_c:La-Li-Tl +mp-1218999,SnAsPd6,-5.3083417,-0.33984406,0.1009456634,0.1009456634,GGA,R-3m,AB6C_hR24_166_a_3c_b:As-Pd-Sn,8.0,"Invalid WP multiplicities - AB6C_hR24_166_a_4c_b:As-Pd-Sn, expected SnAsPd8 to be SnAsPd6" +mp-865848,LuInAg2,-3.5693406725,-0.3349041083,0.0,-0.0449805725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-In-Lu +mp-865505,Lu2InAg,-4.0433448525,-0.3868096592,0.0,-0.0341504467,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-In-Lu +mp-975789,PrTmMg2,-3.2018408275,-0.0875155079,0.0037409933,0.0037409933,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pr-Tm,4.0,A2BC_cF16_225_c_a_b:Mg-Pr-Tm +mp-531201,Ho2CdSe4,-5.1613531839,-1.7225884109,0.066185224,0.066185224,GGA,R3m,AB2C4_hR210_160_10a_5a5b_10a10b:Cd-Ho-Se,70.0,"Invalid WP multiplicities - AB2C4_hR210_160_10a_5a10b_10a27b:Cd-Ho-Se, expected Ho35Cd10Se91 to be Ho2CdSe4" +mp-4284,Ho2CdSe4,-5.216217465,-1.7774526921,0.0113209429,0.0113209429,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Ho-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-Ho-Se +mp-1224018,Ho4CdSe7,-5.5178957942,-1.8742369955,0.0700634575,0.0700634575,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cd-Ho-Se,12.0,AB4C7_mC24_8_a_4a_7a:Cd-Ho-Se +mp-1187438,ThMgAu2,-4.564754085,-0.67427851,0.0,-0.058215209,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Th,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Th +mp-1214275,Ce(AlBr4)3,-4.0232735294,-1.7853887416,0.0,-0.0182285442,GGA,P3_121,A3B12C_hP48_152_ac_6c_b:Al-Br-Ce,48.0,A3B12C_hP48_152_ac_6c_b:Al-Br-Ce +mp-1183567,CaPmMg2,-2.5846120900000003,-0.0954365144,0.0,-0.0030507794,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Ca-Mg-Pm +mp-1184409,Gd2MgCd,-7.888137,-0.2192834275,0.0063684375,0.0063684375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Gd-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Gd-Mg +mp-865590,GdMgCd2,-4.6896023,-0.3090568475,0.0,-0.0608210971,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Gd-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Gd-Mg +mp-1093791,Mn2AlTc,-5.13479113,2.9727702098,3.196246042,3.196246042,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Mn-Tc,4.0,AB2C_oI8_71_a_e_b:Al-Mn-Tc +mp-1096042,MnAl2Tc,-4.08202388,2.6714275943,3.0072548557,3.0072548557,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Mn-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Mn-Tc +mp-1185976,MnAl2Tc,-7.0695588775,-0.3161074032,0.0197198582,0.0197198582,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Mn-Tc,4.0,A2BC_cF16_225_c_a_b:Al-Mn-Tc +mp-631551,MnAlTc,-7.3032441367,0.4528325524,0.7508003287,0.7508003287,GGA,F-43m,ABC_cF12_216_c_a_b:Al-Mn-Tc,3.0,ABC_cF12_216_c_a_b:Al-Mn-Tc +mp-1208257,Ti4CrBi2,-7.2168531536,-0.2288540398,0.0,-0.0827311037,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Bi-Cr-Ti,14.0,A2BC4_tI28_140_h_a_k:Bi-Cr-Ti +mp-1186733,Pr3Ti,-5.2925587975,0.2669935229,0.2669935229,0.2669935229,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Ti,4.0,A3B_cP4_221_c_a:Pr-Ti +mp-1209653,Pr3TiSb5,-5.7831242433,-1.0183225231,0.0088314461,0.0088314461,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Pr-Sb-Ti,18.0,A3B5C_hP18_193_g_dg_b:Pr-Sb-Ti +mp-865904,BeSiIr2,-7.373509527499999,-0.6631097138000001,0.0,-0.1545344927,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ir-Si,4.0,AB2C_cF16_225_a_c_b:Be-Ir-Si +mp-1103162,TiSiPd,-6.9920631742,-0.8251658886000001,0.0,-0.1134900384,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Si-Ti,12.0,ABC_oP12_62_c_c_c:Pd-Si-Ti +mp-961659,TiSiPd,-6.7951539667,-0.6282566811,0.1969092075,0.0834191691,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Si-Ti,3.0,ABC_cF12_216_c_a_b:Pd-Si-Ti +mp-862885,CaPmRh2,-5.90536351,-0.5341740244000001,0.0,-0.2258786194,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Pm-Rh +mp-1192794,Gd4InIr,-11.8850441392,-0.5692763275,0.0,-0.2217786931,GGA,F-43m,A4BC_cF96_216_efg_e_e:Gd-In-Ir,24.0,A4BC_cF96_216_efg_e_e:Gd-In-Ir +mp-19745,GdInIr,-9.2504086522,-0.6949952689000001,0.0,-0.1826423297,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-In-Ir,9.0,ABC_hP9_189_f_g_ad:Gd-In-Ir +mp-1185069,LaLuTl2,-3.89053956,-0.3449785804,0.0108299563,0.0108299563,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Lu-Tl,4.0,ABC2_cF16_225_a_b_c:La-Lu-Tl +mp-583499,Bi6PtBr10,-3.6361830118,-1.0100446942,0.0178468538,0.0178468538,GGA,Pnma,A6B10C_oP136_62_2c5d_2c9d_ac:Bi-Br-Pt,136.0,"Invalid WP multiplicities - A6B10C_oP136_62_8c33d_8c66d_2a2c:Bi-Br-Pt, expected Bi37(PtBr35)2 to be Bi6PtBr10" +mp-568819,Bi20(PtBr12)3,-3.6044246702,-1.0462517475,0.0114169141,0.0114169141,GGA,C2/m,A20B36C3_mC118_12_4i3j_g3i7j_ai:Bi-Br-Pt,59.0,"Invalid WP multiplicities - A20B36C3_mC118_12_7i11j_2g6i28j_a2i:Bi-Br-Pt, expected Bi58Pt5Br128 to be Bi20(PtBr12)3" +mp-740,NdTe3,-4.86710606,-1.3175897819,0.0,-0.1109250427,GGA,Cmcm,AB3_oC16_63_c_3c:Nd-Te,8.0,AB3_oC16_63_c_3c:Nd-Te +mp-16380,Nd2Te3,-5.5105042955,-1.7172617865,0.0,-0.089043336,GGA,Pnma,A2B3_oP20_62_2c_3c:Nd-Te,20.0,A2B3_oP20_62_2c_3c:Nd-Te +mp-1119,Nd2Te5,-4.9865917493000005,-1.3790454162,0.0337043668,0.0337043668,GGA,Cmcm,A2B5_oC28_63_2c_5c:Nd-Te,14.0,A2B5_oC28_63_2c_5c:Nd-Te +mp-1220206,Nd4Te7,-5.1034286818,-1.3692713197,0.2511002839,0.2511002839,GGA,P4mm,A4B7_tP11_99_2a2b_2ab2c:Nd-Te,11.0,"Invalid WP multiplicities - A4B7_tP11_99_2a2b_2ab4c:Nd-Te, expected Nd4Te11 to be Nd4Te7" +mp-2550,NdTe2,-5.2221402817,-1.5372205419,0.0024092425,0.0024092425,GGA,P4/nmm,AB2_tP6_129_c_ac:Nd-Te,6.0,AB2_tP6_129_c_ac:Nd-Te +mp-1220048,NdTe,-4.273631315,-0.3179046521,1.31409412,1.1409107078,GGA,P4/mmm,AB_tP2_123_a_b:Nd-Te,2.0,AB_tP2_123_a_b:Nd-Te +mp-570,NdTe,-5.587725435,-1.6319987721,0.0,-0.1731834122,GGA,Fm-3m,AB_cF8_225_a_b:Nd-Te,2.0,AB_cF8_225_a_b:Nd-Te +mp-2204,Nd3Te4,-5.5068841071,-1.6672175542,0.0256833711,0.0256833711,GGA,I-43d,A3B4_cI28_220_a_c:Nd-Te,14.0,A3B4_cI28_220_a_c:Nd-Te +mp-37263,Ca(NdTe2)2,-5.1727092121,-1.7276923095,0.0301625618,0.0301625618,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Nd-Te,14.0,AB2C4_tI28_122_a_d_e:Ca-Nd-Te +mp-1185449,Lu2CoOs,-7.115908755,-0.2715121888,0.0492613951,0.0492613951,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Co-Lu-Os +mp-1201972,ZrCrGe2,-7.3295466056,-0.4678456531,0.0026805542,0.0026805542,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Zr,48.0,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Zr +mp-862370,Sc2PdRu,-7.56428061,-0.78447497,0.0,-0.059051835,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Pd-Ru-Sc +mp-867108,LiDyTl2,-3.128197665,-0.317948665,0.0,-0.0373867475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Li-Tl +mp-1185327,LiDy2Tl,-3.563593295,-0.1923083717,0.0206646106,0.0206646106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Tl +mp-865581,Li2DyTl,-2.92379864,-0.22697971,0.0,-0.0076947929,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Dy-Li-Tl +mp-1208896,SmSbRh,-6.4640961858,-1.0601311042,0.0,-0.13519921,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Sb-Sm,12.0,ABC_oP12_62_c_c_c:Rh-Sb-Sm +mp-867802,Sc2CuOs,-7.4067508375,-0.40887276,0.0,-0.0778889031,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Os-Sc +mp-867193,Sr2BiAu,-3.4868138975000003,-0.8634743883,0.0,-0.0251096168,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Sr,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Sr +mp-1095770,SrBiAu2,-2.2634478175,0.7559888283,1.3100705061,1.3100705061,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Bi-Sr,4.0,A2BC_oI8_71_e_a_b:Au-Bi-Sr +mp-31141,SrBiAu,-3.280390735,-0.3457692072,0.3325310479,0.3325310479,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Au-Bi-Sr,6.0,ABC_hP6_194_a_c_d:Au-Bi-Sr +mp-1226999,Ce2Ga3Cu,-4.6628647183,-0.4879192104,0.0,-0.0011983333,GGA,P3m1,A2BC3_hP6_156_2b_a_a2c:Ce-Cu-Ga,6.0,A2BC3_hP6_156_2b_a_a2c:Ce-Cu-Ga +mp-5981,Ce2Ga12Cu,-3.8228712613,-0.3360354447,0.0,-0.0201412042,GGA,P4/nbm,A2BC12_tP30_125_h_c_2g2m:Ce-Cu-Ga,30.0,"Invalid WP multiplicities - A2BC12_tP30_125_h_c_2g3m:Ce-Cu-Ga, expected Ce2Ga16Cu to be Ce2Ga12Cu" +mp-1226676,CeGa2Cu3,-4.3893677617,-0.3415508933,0.0,-0.0269815433,GGA,Cmmm,AB3C2_oC12_65_a_cg_f:Ce-Cu-Ga,6.0,AB3C2_oC12_65_a_cg_f:Ce-Cu-Ga +mp-1226613,CeGa3Cu,-4.272786984,-0.4494702055,0.0008820992,0.0008820992,GGA,I-4m2,ABC3_tI10_119_c_a_bf:Ce-Cu-Ga,5.0,ABC3_tI10_119_c_a_bf:Ce-Cu-Ga +mp-1226702,CeGaCu4,-4.45996205,-0.2336267404,0.0,-0.0030773606,GGA,Cmmm,AB4C_oC12_65_a_fg_c:Ce-Cu-Ga,6.0,AB4C_oC12_65_a_fg_c:Ce-Cu-Ga +mp-1226755,CeGaCu4,-4.4127783117,-0.1864430021,0.0471837383,0.0441063778,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Ce-Cu-Ga,6.0,AB4C_hP6_187_a_ck_e:Ce-Cu-Ga +mp-1226949,Ce2Ga5Cu3,-4.356476629,-0.4260487858,0.0005321375,0.0005321375,GGA,P-4m2,A2B3C5_tP10_115_g_abc_d2g:Ce-Cu-Ga,10.0,"Invalid WP multiplicities - A2B3C5_tP10_115_g_abc_d4g:Ce-Cu-Ga, expected Ce2(Ga3Cu)3 to be Ce2Ga5Cu3" +mp-1205295,Yb2PbAu2,-3.47360725,-0.805681724,0.0203247455,-0.040905484,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Pb-Yb,,A2BC2_tP10_127_g_a_h:Au-Pb-Yb +mp-542245,Yb2PbAu2,-3.4939319955,-0.8260064695,0.0,-0.0612302295,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-Pb-Yb,,A2BC2_tP20_136_j_d_fg:Au-Pb-Yb +mp-980054,YbPbAu2,-3.558765705,-0.6087608675,0.0,-0.000337845,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Yb,,A2BC_cF16_225_c_a_b:Au-Pb-Yb +mp-30733,HoSnPt,-5.9766890878000005,-1.0889844061,0.0,-0.1851009226,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Pt-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Ho-Pt-Sn, expected Ho3Sn3Pt5 to be HoSnPt" +mp-1187339,TbGaAu2,-4.2105594975,-0.6580029669,0.0285897975,0.0285897975,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Tb,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Tb +mp-1217530,TbGaAu,-4.4363454533,-0.7908974125,0.0,-0.03288009,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ga-Tb,6.0,ABC_mC12_12_i_i_i:Au-Ga-Tb +mp-1104310,Tb3Ga8Au3,-3.9819434786,-0.5569783014,0.0,-0.0032595737,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Au-Ga-Tb,14.0,A3B8C3_oI28_71_bf_2n_ag:Au-Ga-Tb +mp-1212383,Ho2SnAu2,-4.561051228,-0.616620509,0.250485504,0.250485504,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Au-Ho-Sn,10.0,A2B2C_tP10_127_h_g_a:Au-Ho-Sn +mp-1188895,Ho2SnAu2,-4.783429398,-0.838998679,0.028107334,0.028107334,GGA,P4_2/mnm,A2B2C_tP20_136_j_fg_d:Au-Ho-Sn,20.0,A2B2C_tP20_136_j_fg_d:Au-Ho-Sn +mp-1184832,HoSnAu2,-4.47305264,-0.6881164587,0.0086868071,0.0086868071,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ho-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Ho-Sn +mp-568814,HoSnAu,-4.7626461333,-0.8073585583,0.0431859467,-0.0814944908,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Ho-Sn,6.0,ABC_hP6_186_b_a_b:Au-Ho-Sn +mp-1076971,HoSnAu,-4.661593165,-0.70630559,0.144238915,0.0195584775,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ho-Sn,6.0,ABC_hP6_194_c_a_d:Au-Ho-Sn +mp-30390,HoSnAu,-4.80583208,-0.850544505,0.0,-0.1246804375,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Ho-Sn,3.0,ABC_cF12_216_c_a_b:Au-Ho-Sn +mp-1120810,Dy2Te3Se,-4.9483963725,-1.2584958996,0.3500600431,0.3500600431,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Dy-Se-Te,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_3a:Dy-Se-Te, expected Dy4Te3Se to be Dy2Te3Se" +mp-866037,GaNiRh2,-6.22559615,-0.3413840394,0.0,-0.0014042625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ni-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Ni-Rh +mp-13336,RbSc5Te8,-5.6055381729,-1.4777291197,0.0,-0.033957873,GGA,C2/m,AB5C8_mC28_12_a_d2i_4i:Rb-Sc-Te,14.0,"Invalid WP multiplicities - AB5C8_mC28_12_a_c3i_4i:Rb-Sc-Te, expected RbSc7Te8 to be RbSc5Te8" +mp-631961,La5In3Br,-4.5708719117,-0.7388591289,0.0,-0.0152820381,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Br-In-La,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_3d3g:Br-In-La, expected La15In3Br to be La5In3Br" +mp-867240,SmMgRh2,-5.8790382225,-0.6171677413000001,0.0,-0.0178084625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Sm +mp-1209545,Sm23Mg4Rh7,-5.308609239,-0.4121752274,0.0012931856,0.0012931856,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Rh-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Rh-Sm +mp-567957,Sm4MgRh,-5.0018835396,-0.3620614629,0.0,-0.014165073,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Rh-Sm,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_2e4f4g:Mg-Rh-Sm, expected Sm14MgRh to be Sm4MgRh" +mp-978039,Ho4Ga16Co3,-4.3350861835,-0.5044720433000001,0.0,-0.0064361881,GGA,P4/mmm,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Ho,23.0,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Ho +mp-4856,HoGa5Co,-4.3032994929,-0.4702699532,0.0,-0.0158425517,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Ho,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Ho +mp-1224330,Ho3(Ga2Co)2,-4.9685889656,-0.5156727111,0.0320764207,0.0320764207,GGA,Cm,A2B4C3_mC36_8_4a_8a_6a:Co-Ga-Ho,,A2B4C3_mC36_8_4a_8a_6a:Co-Ga-Ho +mp-1103576,HoGaCo,-5.4112262075,-0.5049519783,0.0,-0.0391671148,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Ho,12.0,ABC_oP12_62_c_c_c:Co-Ga-Ho +mp-1212396,Ho(GaCo)6,-5.3649433869,-0.3341055581,0.0088975308,0.0088975308,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Co-Ga-Ho,13.0,A6B6C_oI26_71_fk_egh_a:Co-Ga-Ho +mp-1191834,Ho8Ga3Co,-4.8139026342,-0.4095795656,0.0,-0.014457402,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Ho,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Ho +mp-11844,Ho6GaCo2,-5.2723848161,-0.3013642792,0.0,-0.0138164028,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Ho,18.0,"Invalid WP multiplicities - A2BC6_oI36_71_fg_ab_lm2n:Co-Ga-Ho, expected Ho8GaCo2 to be Ho6GaCo2" +mp-14125,Ho2(Ga3Co)3,-4.6094926232,-0.4850186712,0.0,-0.0254774057,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Ho,28.0,"Invalid WP multiplicities - A3B9C2_oC56_63_ae_cfg2h_g:Co-Ga-Ho, expected Ho2Ga13Co3 to be Ho2(Ga3Co)3" +mp-27603,Ho6(Ga3Co)7,-4.6266042393,-0.4841720552,0.0156929167,0.0156929167,GGA,P4/mbm,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Ho,68.0,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Ho +mp-1206810,Ho2GaCo2,-5.709008414,-0.4270985435,0.0,-0.0379425548,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Ho,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Ho +mp-1105905,HoGa2Co3,-5.7065343633,-0.3792753133,0.0,-0.0320197398,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Ho,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Ho +mp-4513,Ho2Ga8Co,-4.1667173409,-0.4850897305,0.00781897,0.00781897,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Ho,11.0,"Invalid WP multiplicities - AB8C2_tP11_123_a_2eh3i_g:Co-Ga-Ho, expected Ho2Ga18Co to be Ho2Ga8Co" +mp-866068,TbMgAu2,-3.9725522425,-0.776949705,0.0,-0.0359579887,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Tb,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Tb +mp-1205820,TbMgAu,-3.8529317067,-0.6834223233000001,0.0,-0.0874000455,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Mg-Tb,9.0,ABC_hP9_189_ad_g_f:Au-Mg-Tb +mp-972048,Zn6Mo,-2.6724885414,-0.0433297171,0.0,-0.0185070069,GGA,Fm-3m,AB6_cF28_225_a_d:Mo-Zn,7.0,AB6_cF28_225_a_d:Mo-Zn +mp-977997,ZnMo3,-8.2745052725,0.1746682125,0.1873060467,0.1873060467,GGA,Pm-3m,A3B_cP4_221_c_a:Mo-Zn,4.0,A3B_cP4_221_c_a:Mo-Zn +mp-1097619,ZnMoRu2,-4.5731441175,3.0904055825,3.174849751,3.174849751,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ru-Zn,4.0,AB2C_oI8_71_a_e_b:Mo-Ru-Zn +mp-644500,Zn7Mo,-2.4833217725,-0.02533985,0.0125736525,0.0125736525,GGA,Fm-3m,AB7_cF32_225_a_bd:Mo-Zn,8.0,AB7_cF32_225_a_bd:Mo-Zn +mp-1226498,CePrAl4,-4.7393446533,-0.4566282817,0.0207553783,0.0207553783,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Pr,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Pr +mp-631390,SrZrZn,-2.9513740333,0.8809385311,1.0723986944,1.0723986944,GGA,F-43m,ABC_cF12_216_a_b_c:Sr-Zn-Zr,3.0,ABC_cF12_216_a_b_c:Sr-Zn-Zr +mp-865351,Tm2ZnRu,-5.2902045575,-0.4187503083,0.0,-0.0221577775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Ru-Tm-Zn +mp-1212925,Er3(Al3Ru)4,-5.6999860939,-0.6606346966000001,0.0,-0.0355153211,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Er-Ru,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Er-Ru +mp-1212826,Er(Al5Ru)2,-5.1707396265,-0.5113333042,0.0,-0.0311269015,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Er-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Er-Ru +mp-1186325,NdTmZn2,-3.2650294325,-0.3241619135,0.0120219775,0.0120219775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Nd-Tm-Zn +mp-866073,MgSnRh2,-5.7246989425,-0.6400820312000001,0.0,-0.1761974206,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Sn +mp-12085,Np(CrSi)2,-8.610935738,0.0099663983,0.2715794728,0.2715794728,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Np-Si +mp-863732,Pm2PtRh,-6.6193918825,-0.8852604238,0.0,-0.7627551965,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Pt-Rh,4.0,A2BC_cF16_225_c_a_b:Pm-Pt-Rh +mp-973882,Lu2PdRh,-6.384420465,-0.987897785,0.013964165,0.013964165,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Lu-Pd-Rh +mp-861941,Ho2PdRu,-6.5828592125,-0.67808369,0.0,-0.0277316443,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Pd-Ru +mp-1096565,Sc2CuRh,-4.112269155,1.9198440325,2.5758472225,2.5758472225,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Cu-Rh-Sc +mp-1186958,Sc2CuRh,-6.670601215,-0.6384880275,0.0175151625,0.0175151625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Rh-Sc +mp-1093920,Tc2GeSb,-4.8026869425,2.5656398037,2.5656398037,2.5656398037,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Sb-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Sb-Tc +mp-1097445,Be2CoOs,-3.1504913275,3.3031364112,3.5362236326,3.5362236326,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Co-Os,4.0,A2BC_oI8_71_e_a_b:Be-Co-Os +mp-977561,LiTaIr2,-8.47154013,-0.6106479158,0.0,-0.1104181183,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Ta,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Ta +mp-541134,TeAuBr8,-2.637556239,-0.7534147857,0.0,-0.0655384476,GGA,P-1,AB8C_aP20_2_i_8i_i:Au-Br-Te,20.0,AB8C_aP20_2_i_8i_i:Au-Br-Te +mp-631569,BaHf2As,-6.0652498275,0.5578680238,1.2242894475,1.2242894475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Ba-Hf,4.0,ABC2_cF16_225_a_b_c:As-Ba-Hf +mp-686673,Ba(Hf2As3)6,-7.1278830566,-0.5062903279000001,0.3760873953,0.3760873953,GGA,P1,A18BC12_aP62_1_36a_2a_24a:As-Ba-Hf,62.0,A18BC12_aP62_1_36a_2a_24a:As-Ba-Hf +mp-867899,Sm2IrRh,-7.1217289025,-0.7117503225,0.0,-0.0389567021,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Sm +mp-19736,EuTe,-8.36341875,-1.6632649033,0.246083685,-1.1895782022,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Te,2.0,AB_cP2_221_a_b:Eu-Te +mp-542583,EuTe,-8.609502435,-1.9093485883,0.0,-1.4356618872,GGA,Fm-3m,AB_cF8_225_a_b:Eu-Te,2.0,AB_cF8_225_a_b:Eu-Te +mp-1184385,Eu3Te,-9.189107875,-0.7105300517,0.2441442425,0.2441442425,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Te,4.0,A3B_cP4_221_c_a:Eu-Te +mp-1103807,Eu(GaTe2)2,-5.0939695386,-0.9673384788,0.0,-0.010947235,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Eu-Ga-Te,14.0,AB2C4_oC28_66_a_l_kl:Eu-Ga-Te +mp-1102174,In2AsPt8,-5.6816905509,-0.3424585123,0.0,-0.00170434,GGA,P4/mmm,AB2C8_tP11_123_a_h_egi:As-In-Pt,11.0,AB2C8_tP11_123_a_h_egi:As-In-Pt +mp-1025212,InAsPt5,-5.7282908343,-0.333081015,0.0,-0.0085517422,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-In-Pt,7.0,ABC5_tP7_123_b_c_ai:As-In-Pt +mp-864973,Dy2CdIn,-3.6274208025,-0.40538401,0.0,-0.02179633,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Dy-In,4.0,AB2C_cF16_225_a_c_b:Cd-Dy-In +mp-1225370,DyCdIn,-3.1359008617,-0.3754474183,0.0002483227,0.0002483227,GGA,P-3m1,ABC_hP6_164_d_c_d:Cd-Dy-In,6.0,ABC_hP6_164_d_c_d:Cd-Dy-In +mp-866038,YbGdHg2,-4.635546595,-0.5797737825,0.0,-0.005533295,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Yb,,AB2C_cF16_225_a_c_b:Gd-Hg-Yb +mp-865001,HfScOs2,-10.25084903,-0.5647507812,0.0,-0.0222459986,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Os-Sc,4.0,AB2C_cF16_225_a_c_b:Hf-Os-Sc +mp-3046,Yb3Sn13Rh4,-4.840820935,-0.5307964132,0.0,-0.0451250718,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Yb,,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Yb +mp-865992,YbSnRh2,-5.8242920725000005,-0.7548431037000001,0.0,-0.1292462726,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Yb,,A2BC_cF16_225_c_a_b:Rh-Sn-Yb +mp-11973,YbSnRh,-5.0743323256,-0.7698363239,0.0,-0.0469631439,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Yb,,ABC_hP9_189_ad_g_f:Rh-Sn-Yb +mp-1219480,Sb8Pd3Au,-4.7390784617,-0.4186170158,0.0,-0.0384458236,GGA,R-3,AB3C8_hR36_148_a_e_cf:Au-Pd-Sb,12.0,"Invalid WP multiplicities - AB3C8_hR36_148_a_e_2c2f:Au-Pd-Sb, expected Sb16Pd3Au to be Sb8Pd3Au" +mp-1227289,Be4CoGe,-4.52932039,-0.081154205,0.1004694421,0.1004694421,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Co-Ge,6.0,A4BC_cF24_216_e_a_c:Be-Co-Ge +mp-1227299,BeCo2Ge,-5.85456409,-0.2097950125,0.0981696975,0.0518567569,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Be-Co-Ge,4.0,AB2C_tP4_123_a_h_b:Be-Co-Ge +mp-862706,BeCo2Ge,-5.9527337875,-0.30796471,0.0,-0.0463129406,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Co-Ge,4.0,AB2C_cF16_225_a_c_b:Be-Co-Ge +mp-1206830,Cs(CoAs)2,-5.274193752,-0.3881387976,0.0,-0.105899625,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Cs,5.0,A2B2C_tI10_139_e_d_a:As-Co-Cs +mp-1207415,Zr6Be15Co8,-5.9749366097,-0.3113525022,0.0,-0.0382690151,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Co-Zr,29.0,A15B8C6_cF116_225_adf_f_e:Be-Co-Zr +mp-29901,Rb2Cd3Te4,-2.7981529022,-0.8756016802000001,0.0,-0.0501380367,GGA,C2/c,A3B2C4_mC72_15_3f_aef_2e3f:Cd-Rb-Te,36.0,"Invalid WP multiplicities - A3B2C4_mC72_15_5f_2ce2f_2e4f:Cd-Rb-Te, expected Rb7(CdTe)10 to be Rb2Cd3Te4" +mp-1097568,MgZrPt2,-3.94133882,1.63122301,2.5907969925,2.5663966243000003,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pt-Zr,4.0,AB2C_oI8_71_a_e_b:Mg-Pt-Zr +mp-1185625,MgZrPt2,-6.5321358125,-0.9595739825,0.0,-0.0244003682,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pt-Zr,4.0,AB2C_cF16_225_a_c_b:Mg-Pt-Zr +mp-631475,TlZn2Tc,-3.253659625,0.5570327029000001,0.5947530747,0.5947530747,GGA,F-43m,ABC2_cF16_216_a_c_bd:Tc-Tl-Zn,4.0,ABC2_cF16_216_a_c_bd:Tc-Tl-Zn +mp-1096443,Mg2HgPt,-1.3510476875,1.0427957588,1.5740652313,1.5740652313,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Pt,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Pt +mp-1095763,Al2OsPd,-3.689318225,2.285282,2.9532073663,2.9532073663,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Pd,4.0,A2BC_oI8_71_e_a_b:Al-Os-Pd +mp-1248716,Al2OsPd,-3.6895197675,2.2850804575,2.9530058238,2.9530058238,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Pd,4.0,A2BC_oI8_71_e_a_b:Al-Os-Pd +mp-1096501,NaZnPd2,-1.9077284,1.3277797309,1.6744278365,1.6744278365,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Na-Pd-Zn +mp-864756,Yb2MgIn,-2.1628676025,-0.3050725175,0.0,-0.0122977369,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Yb,,ABC2_cF16_225_a_b_c:In-Mg-Yb +mp-972180,YbMgIn2,-2.50612792,-0.3453139725,0.0060355469,0.0060355469,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Mg-Yb,,A2BC_cF16_225_c_a_b:In-Mg-Yb +mp-1225265,DyErAl4,-4.53741845,-0.5112836217,0.0005965675,0.0005965675,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-Er,6.0,A4BC_cF24_216_e_a_c:Al-Dy-Er +mp-1183795,DyErAl2,-4.5582503725,-0.391836045,0.0219120609,0.0219120609,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Dy-Er,4.0,A2BC_cF16_225_c_a_b:Al-Dy-Er +mp-865888,TiSnRu2,-8.1968828725,-0.5834156346,0.0,-0.1267797739,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Ti +mp-12571,HfBeSi,-7.0048886,-0.6309152917,0.0,-0.0855877787,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Be-Hf-Si,6.0,ABC_hP6_194_c_a_d:Be-Hf-Si +mp-4903,Tm(CuSi)2,-5.247216528,-0.5422395633,0.0,-0.0827391475,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Tm +mp-1216594,TmCuSi,-5.27927508,-0.6124883722000001,0.02886906,-0.01599762,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-Tm,3.0,ABC_hP3_187_a_c_f:Cu-Si-Tm +mp-8123,TmCuSi,-5.30814414,-0.6413574322000001,0.0,-0.04486668,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Tm,6.0,ABC_hP6_194_c_d_a:Cu-Si-Tm +mp-1102518,Tm3(CuSi)4,-5.2970442409,-0.6128983255,0.0,-0.01659447,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Tm,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Tm +mp-1208077,Tm3Cu11Si4,-4.7737202406,-0.3170506983,0.0574982783,0.0574982783,GGA,P6_3/mmc,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Tm,36.0,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Tm +mp-1096760,TiAlIr2,-4.9864381925,2.3430458592,3.251344705,3.251344705,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ir-Ti,4.0,AB2C_oI8_71_a_e_b:Al-Ir-Ti +mp-1187464,TiAlIr2,-8.2372825875,-0.9077985358,0.00050031,0.00050031,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ir-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Ir-Ti +mp-1193121,Ti6Al16Ir7,-6.5954740514,-0.7619842362,0.0,-0.0809524549,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Ti +mp-866282,CaThRh2,-6.6827720275,-0.6457535600000001,0.0111462781,0.0111462781,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Th,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Th +mp-1185228,HoPu3,-11.6550129913,0.1914679737,0.1914679737,0.1914679737,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Pu,8.0,AB3_hP8_194_c_h:Ho-Pu +mp-1184889,HoPuOs2,-10.0079641975,0.3182813175,0.5644679531,0.5644679531,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Os-Pu,4.0,AB2C_cF16_225_a_c_b:Ho-Os-Pu +mp-1006115,Ho3Pu,-6.35119828,0.6525679550000001,0.6525679550000001,0.6525679550000001,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Pu,4.0,A3B_cP4_221_c_a:Ho-Pu +mp-639135,Pr3RuCl3,-5.8330664582,-1.6669622032,0.0,-0.0120850493,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:Cl-Pr-Ru,28.0,"Invalid WP multiplicities - A3B3C_oP28_62_8c_9c_c:Cl-Pr-Ru, expected Pr9RuCl8 to be Pr3RuCl3" +mp-865751,YbDyRh2,-5.99511622,-0.7763635050000001,0.0,-0.0308331425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Yb,,AB2C_cF16_225_a_c_b:Dy-Rh-Yb +mp-973979,LiFePd2,-5.4270720075,-0.2423950833,0.0125423158,0.0125423158,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Fe-Li-Pd +mp-1093859,TlIn2Bi,-1.9159008,1.0107241342,1.0354671463,1.0354671463,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-In-Tl,4.0,AB2C_oI8_71_a_e_b:Bi-In-Tl +mp-1097214,Tl2InBi,-1.8269801425,1.0023846458,1.0389020138,1.0389020138,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-In-Tl,4.0,ABC2_oI8_71_a_b_e:Bi-In-Tl +mp-569012,Cs(AsRh)2,-5.604418442,-0.6159674576,0.0,-0.1866902838,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Cs-Rh,5.0,A2BC2_tI10_139_e_a_d:As-Cs-Rh +mp-1208192,Tm12In2Fe3,-5.1674163306,-0.1895659676,0.0,-0.0328240106,GGA,I4/mmm,A3B2C12_tI34_139_ae_c_hn:Fe-In-Tm,17.0,A3B2C12_tI34_139_ae_c_hn:Fe-In-Tm +mp-1215213,ZrTaCr4,-9.9062260567,-0.0699480333,0.0033238775,0.0033238775,GGA,F-43m,A4BC_cF24_216_e_a_c:Cr-Ta-Zr,6.0,A4BC_cF24_216_e_a_c:Cr-Ta-Zr +mp-1095820,InNi2Au,-2.5867741575,1.809685615,1.9083604788,1.9083604788,GGA,Immm,ABC2_oI8_71_a_b_e:Au-In-Ni,4.0,ABC2_oI8_71_a_b_e:Au-In-Ni +mp-1184770,InNi2Au,-4.476088745,-0.0796289725,0.0190458913,0.0190458913,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-In-Ni,4.0,ABC2_cF16_225_a_b_c:Au-In-Ni +mp-865994,YbScRh2,-6.478049535,-0.8278762538000001,0.0,-0.008950735,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sc-Yb,,A2BC_cF16_225_c_a_b:Rh-Sc-Yb +mp-1187986,Yb3Sc,-2.5493962775,0.1884272087,0.1884272087,0.1884272087,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Yb,,AB3_hP8_194_c_h:Sc-Yb +mp-865281,Tm2AgPt,-5.293405805,-0.8295657625,0.00732006,0.00732006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Pt-Tm +mp-978086,PrMo3,-8.7625590025,0.5669050187,0.5669050187,0.5669050187,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mo-Pr,8.0,A3B_hP8_194_h_c:Mo-Pr +mp-1196024,Pr(Ga5Mo)8,-4.4950993057,-0.1548962948,0.0175918129,0.0175918129,GGA,R-3,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Pr,49.0,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Pr +mp-1222868,LaNdNi10,-5.904262975,-0.2788028635,0.0,-5.73275e-05,GGA,Pmmm,ABC10_oP12_47_a_d_fgijx:La-Nd-Ni,12.0,"Invalid WP multiplicities - ABC10_oP12_47_a_d_fg2ijx:La-Nd-Ni, expected LaNdNi12 to be LaNdNi10" +mp-1223354,LaNdNi2,-4.9843605475,0.3317464269,0.6553728675,0.6553728675,GGA,P2/m,ABC2_mP12_10_am_cdg_3n:La-Nd-Ni,12.0,"Invalid WP multiplicities - ABC2_mP12_10_am_cdg_5n:La-Nd-Ni, expected La3Nd3Ni10 to be LaNdNi2" +mp-30395,ScInAu2,-4.5357004775,-0.6277212687,0.0,-0.0066391556,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Sc,4.0,A2BC_cF16_225_c_a_b:Au-In-Sc +mp-1097073,Sc2InAu,-2.9179482325,1.7546777525,2.375161345,2.375161345,GGA,Immm,ABC2_oI8_71_a_b_e:Au-In-Sc,4.0,ABC2_oI8_71_a_b_e:Au-In-Sc +mp-1209388,Sc2InAu2,-5.1289251635,-0.7360479755,0.0,-0.0607930465,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-In-Sc,20.0,A2BC2_tP20_136_j_d_fg:Au-In-Sc +mp-998198,RbCaBr3,-3.839356738,-2.3103129495,0.02415873,-0.007086492,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Ca-Rb,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Ca-Rb, expected RbCaBr5 to be RbCaBr3" +mp-998536,RbCaBr3,-3.8627330005,-2.333689212,0.0007824675,-0.0304627545,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Ca-Rb,20.0,A3BC_oP20_62_3c_c_c:Br-Ca-Rb +mp-1209238,RbCaBr3,-3.863515468,-2.3344716795,0.0,-0.031245222,GGA,Pnma,A3BC_oP20_62_cd_a_c:Br-Ca-Rb,20.0,A3BC_oP20_62_cd_a_c:Br-Ca-Rb +mp-1209227,RbCaBr3,-3.839853948,-2.3108101595,0.02366152,-0.007583702,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Br-Ca-Rb,5.0,A3BC_cP5_221_c_b_a:Br-Ca-Rb +mp-1209174,RbSrCl3,-4.2824693215,-2.6393418203,0.0021210958,0.0021210958,GGA,P2_1/m,A3BC_mP20_11_2e2f_2e_ad:Cl-Rb-Sr,20.0,A3BC_mP20_11_2e2f_2e_ac:Cl-Rb-Sr +mp-1209111,RbSrCl3,-4.275119462,-2.6319919608,0.0094709553,0.0094709553,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:Cl-Rb-Sr,10.0,A3BC_tP10_127_bg_c_a:Cl-Rb-Sr +mp-998755,RbSrCl3,-4.283996577,-2.6408690758,0.0005938403,0.0005938403,GGA,R-3,A3BC_hR30_148_f_c_c:Cl-Rb-Sr,10.0,A3BC_hR30_148_f_c_c:Cl-Rb-Sr +mp-1209047,RbSrCl3,-4.243535842,-2.6004083408,0.0410545753,0.0410545753,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Rb-Sr,5.0,A3BC_cP5_221_c_a_b:Cl-Rb-Sr +mp-1209161,RbSr2Cl5,-4.4408860516,-2.7406105167,0.0,-0.0045915484,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-Rb-Sr,32.0,A5BC2_mP32_14_5e_e_2e:Cl-Rb-Sr +mp-20567,LiGa2Ru,-4.658898225,-0.3490188621,0.0,-0.0043601878,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Ru +mp-1222012,MgBe4Cu,-3.4665431267,-0.0236867633,0.0497006368,0.0497006368,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Cu-Mg,6.0,A4BC_cF24_216_e_a_c:Be-Cu-Mg +mp-1206471,Lu7(TeRh)2,-5.6712122091,-0.8837684667,0.0037331825,0.0037331825,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Lu-Rh-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Lu-Rh-Te +mp-975780,Li2TlSn,-2.8301837125,-0.2826685287,0.0047198883,0.0047198883,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sn-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Sn-Tl +mp-7038,TlPd2Se3,-4.4957137175,-0.6273568509,0.0,-0.0584994173,GGA,P-3m1,A2B3C_hP12_164_ae_i_d:Pd-Se-Tl,12.0,A2B3C_hP12_164_ae_i_d:Pd-Se-Tl +mp-1025248,TlPd5Se,-4.8381672486,-0.3013152951,0.0,-0.0020114231,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pd-Se-Tl,7.0,A5BC_tP7_123_ai_b_c:Pd-Se-Tl +mp-1077903,Tl2Pd3Se2,-4.3736102014,-0.4797881045,0.0,-0.0210851586,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Pd-Se-Tl,7.0,A3B2C2_hR21_166_d_c_ab:Pd-Se-Tl +mp-28954,Tl2PdSe2,-3.938121337,-0.5587231253,0.0,-0.013877644,GGA,Pbam,AB2C2_oP10_55_a_h_g:Pd-Se-Tl,10.0,AB2C2_oP10_55_a_h_g:Pd-Se-Tl +mp-1102702,HfNiGe,-7.5257974442,-0.7390129225000001,0.0,-0.0795981272,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Hf-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Hf-Ni +mp-961691,HfNiGe,-6.7274826633,0.0593018583,0.7983147808000001,0.7187166536,GGA,F-43m,ABC_cF12_216_a_c_b:Ge-Hf-Ni,3.0,ABC_cF12_216_a_c_b:Ge-Hf-Ni +mp-10076,Hf3(NiGe)4,-7.1660795409,-0.6675136109,0.0,-0.0074170245,GGA,Immm,A4B3C4_oI22_71_eg_bf_n:Ge-Hf-Ni,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_2eg_bf_n:Ge-Hf-Ni, expected Hf3(Ni2Ge3)2 to be Hf3(NiGe)4" +mp-580092,Hf6Ni16Ge7,-6.9525742617,-0.5875219843,0.0,-0.0359373722,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:Ge-Hf-Ni,29.0,"Invalid WP multiplicities - A7B6C16_cF116_225_a2d_e_10f:Ge-Hf-Ni, expected Hf6Ni80Ge13 to be Hf6Ni16Ge7" +mp-631349,ZnTcMo,-6.77299897,0.715678585,0.7408254995,0.7408254995,GGA,F-43m,ABC_cF12_216_c_a_b:Mo-Tc-Zn,3.0,ABC_cF12_216_c_a_b:Mo-Tc-Zn +mp-445,NdCo2,-6.3587298417,-0.0304688342,0.0321442942,0.0321442942,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Nd,6.0,A2B_cF24_227_c_b:Co-Nd +mp-1106011,Nd3Co,-5.4160837531,-0.06289373,0.0,-0.0046135966,GGA,Pnma,AB3_oP16_62_c_cd:Co-Nd,16.0,AB3_oP16_62_c_cd:Co-Nd +mp-1210260,Nd4Co,-4.934981029,0.301200476,0.35151546,0.35151546,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Nd,10.0,AB4_cF40_227_a_e:Co-Nd +mp-1210091,Nd3CoGe2,-5.7652544308,-0.6554517971,0.0,-0.0321747542,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Co-Ge-Nd,24.0,AB2C3_oP24_62_c_2c_3c:Co-Ge-Nd +mp-1080572,NdCoGe2,-5.939623505,-0.6589932706,0.0,-0.020166942,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Nd,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Nd +mp-1095461,NdCo3,-6.5649754825,-0.0417002781,0.0168931845,0.0168931845,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Nd,12.0,A3B_hR36_166_ach_bc:Co-Nd +mp-569,NdCo5,-6.7532772367,-0.0349878354,0.0195859615,0.0195859615,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Nd,6.0,A5B_hP6_191_cg_a:Co-Nd +mp-4999,Nd(CoGe)2,-6.23961448,-0.5934467335,0.0,-0.066252117,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Nd,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Nd +mp-1191158,Nd5Co19,-6.6710086967,-0.0502263939,0.0063572359,0.0063572359,GGA,R-3m,A19B5_hR72_166_a3c2h_b2c:Co-Nd,24.0,A19B5_hR72_166_a3c2h_b2c:Co-Nd +mp-1104652,Nd5Co2,-5.5033734029,-0.0666058668,0.0,-0.0034126336,GGA,C2/c,A2B5_mC28_15_f_e2f:Co-Nd,14.0,A2B5_mC28_15_f_e2f:Co-Nd +mp-1220304,Nd6Co5Ge2,-5.7301239,-0.0842370323,0.2537635267,0.2537635267,GGA,Amm2,A5B2C6_oC26_38_3ad_2b_abde:Co-Ge-Nd,13.0,A5B2C6_oC26_38_3ad_2b_abde:Co-Ge-Nd +mp-14625,NdCoGe3,-5.716365034,-0.5672552755,0.0,-0.040060659,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Ge-Nd,5.0,"Invalid WP multiplicities - AB3C_tI10_107_a_a2b_a:Co-Ge-Nd, expected NdCoGe5 to be NdCoGe3" +mp-1084826,Nd2Co3,-6.238078511,-0.065828861,0.0,-0.006960602,GGA,Cmce,A3B2_oC20_64_ae_f:Co-Nd,10.0,A3B2_oC20_64_ae_f:Co-Nd +mp-20531,NdCoGe,-6.1065641083,-0.6067330808,0.0,-0.0316675725,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Ge-Nd,6.0,ABC_tP6_129_a_c_c:Co-Ge-Nd +mp-1210116,Nd2Co,-4.3246681133,1.2235361067,1.2900242453,1.2900242453,GGA,Fd-3m,AB2_cF24_227_a_d:Co-Nd,6.0,AB2_cF24_227_a_d:Co-Nd +mp-1220493,NdCo,-5.91517765,0.0230549638,0.0891310539,0.0891310539,GGA,C2/m,AB_mC20_12_aj_d2i:Co-Nd,10.0,AB_mC20_12_aj_d2i:Co-Nd +mp-1220267,Nd4Co3Ge8,-5.8127372573,-0.6539528603,0.0097148007,0.0097148007,GGA,Pmm2,A3B8C4_oP15_25_abc_2a2b2c2d_abcd:Co-Ge-Nd,15.0,A3B8C4_oP15_25_abc_2a2b2c2d_abcd:Co-Ge-Nd +mp-1186251,Nd2Co3Ge5,-5.980226766,-0.5825880135,0.0,-0.002237009,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Nd,20.0,"Invalid WP multiplicities - A3B5C2_mC40_15_e2f_3e2f_f:Co-Ge-Nd, expected Nd2Co5Ge7 to be Nd2Co3Ge5" +mp-1209967,Nd2Co3Ge5,-5.9780430615,-0.5804043090000001,0.0021837045,-5.33045e-05,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Ge-Nd,20.0,A3B5C2_oI40_72_aj_bfj_j:Co-Ge-Nd +mp-1105870,Nd2Co7,-6.6126132639,-0.0243333272,0.0329202468,0.0329202468,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Nd,18.0,A7B2_hR54_166_a2cdh_2c:Co-Nd +mp-1198482,Nd2Co7,-6.5822989203,0.0059810164,0.0632345904,0.0632345904,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Co-Nd,36.0,A7B2_hP36_194_aefhk_2f:Co-Nd +mp-1006282,Nd7Co3,-5.519944426,-0.0497458847,0.0168246636,0.0168246636,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Co-Nd,20.0,A3B7_hP20_186_c_b2c:Co-Nd +mp-356,Nd2Co17,-6.9135960105,-0.0516119379,0.0,-0.0262343915,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Nd,19.0,A17B2_hR57_166_cdfh_c:Co-Nd +mp-1186435,Pm2AlGa,-4.52832427,-0.4596351456,0.0,-0.0957635788,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ga-Pm,4.0,ABC2_cF16_225_a_b_c:Al-Ga-Pm +mp-1097542,AlTc2Sb,-4.353742285,2.795221455,3.1060302475,3.1060302475,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Sb-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Sb-Tc +mp-1221973,MgHg4Te5,-2.356520294,-0.5033671963,0.017529133,0.017529133,GGA,I-4m2,A4BC5_tI20_119_2e_a_c2f:Hg-Mg-Te,10.0,"Invalid WP multiplicities - A4BC5_tI20_119_3e_a_c3f:Hg-Mg-Te, expected MgHg6Te7 to be MgHg4Te5" +mp-19934,CeMgPt,-5.3758866489,-0.8410524739,0.0,-0.099258418,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Mg-Pt,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ce-Mg-Pt, expected Ce3Mg3Pt5 to be CeMgPt" +mp-1204608,Tb11(In3Si2)2,-4.8328543226,-0.5857399607,0.0,-0.0371393247,GGA,I4/mmm,A6B4C11_tI84_139_hm_dei_eh2n:In-Si-Tb,42.0,A6B4C11_tI84_139_hm_dei_eh2n:In-Si-Tb +mp-867122,Ac2CuSi,-4.6760276375,-0.2343089587,0.0,-0.1118040896,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Si +mp-863668,Pm2CuOs,-6.31865739,-0.1117427038,0.0,-0.069896521,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Os-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Os-Pm +mp-1185587,Gd2PdRh,-8.4173629775,1.7567455625,2.5988902737,2.5988902737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Gd-Pd-Rh +mp-977444,PaAgAu2,-5.01302119,-0.2892750242,0.0,-0.0312139075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Pa,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Pa +mp-1208287,TeAsOs,-6.5700097017,-0.2267457922,0.0596121671,0.0596121671,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Os-Te,12.0,ABC_mP12_14_e_e_e:As-Os-Te +mp-1186550,PmCdCu2,-3.65270484,-0.1847434844,0.0001863825,0.0001863825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Cu-Pm,4.0,AB2C_cF16_225_a_c_b:Cd-Cu-Pm +mp-866122,Tm2RuRh,-7.1231283125,-0.7255329983000001,0.0,-0.0387050056,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Rh-Ru-Tm +mp-1097208,Ta2CrMo,-6.552396175,4.501167035,4.5975453331,4.5975453331,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mo-Ta,4.0,ABC2_oI8_71_a_b_e:Cr-Mo-Ta +mp-17273,Ba(HoTe2)2,-5.1547954346,-1.7752216842,0.0,-0.0238929896,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Ho-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Ho-Te +mp-1183340,Ba3Ho,-2.3384139575000003,0.246419465,0.246419465,0.246419465,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Ho,4.0,A3B_tI8_139_ad_b:Ba-Ho +mp-1217768,Ta2(PdRu)3,-8.70593842,-0.3211373813,0.0252271162,0.0252271162,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Pd-Ru-Ta,8.0,A3B3C2_oP8_47_aj_bgh_k:Pd-Ru-Ta +mp-1096280,Ta2MnCr,-6.403422865,4.2292316405,4.3558631328,4.3558631328,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mn-Ta,4.0,ABC2_oI8_71_a_b_e:Cr-Mn-Ta +mp-867869,Sm2AgRu,-5.64776332,-0.2617306167,0.0,-0.0024960834,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-Ru-Sm +mp-977537,ZrCdRh2,-6.6622904175,-0.612488885,0.0,-0.045578105,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Zr +mp-862554,LiEr2Ir,-5.5917258075,-0.6210271408,0.0,-0.0329467148,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Li +mp-867148,LiHfRh2,-7.3784326625,-0.7297507533,0.0,-0.0854920727,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Hf-Li-Rh +mp-1093761,Sc2OsRu,-5.3871734225,2.9045036225,3.3641388589,3.3641388589,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Ru-Sc,4.0,ABC2_oI8_71_a_b_e:Os-Ru-Sc +mp-1096047,ScCuAu2,-2.8738620975,1.3709978462,1.98509348,1.98509348,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Sc +mp-867756,Sc2CuAu,-5.55325974,-0.54375302,0.0006946875,0.0006946875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Sc +mp-1096089,LiTaPt2,-4.4724145125,2.0048272717,2.628226915,2.628226915,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pt-Ta,4.0,AB2C_oI8_71_a_e_b:Li-Pt-Ta +mp-864763,LiYb2Rh,-3.4441541075,-0.3560422833,0.0,-0.0527223158,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Yb,,ABC2_cF16_225_a_b_c:Li-Rh-Yb +mp-1208642,SrBeGe,-3.6976485033,-0.3470037789,0.0669395867,0.0669395867,GGA,P-6m2,ABC_hP3_187_a_c_f:Be-Ge-Sr,3.0,ABC_hP3_187_a_c_f:Be-Ge-Sr +mp-1218455,Sr4Be3Ge5,-3.76936615,-0.3450868431,0.0890812675,0.0890812675,GGA,P-6m2,A3B5C4_hP12_187_ag_bcdh_2i:Be-Ge-Sr,12.0,"Invalid WP multiplicities - A3B5C4_hP12_187_a2g_bcd2h_2i:Be-Ge-Sr, expected Sr4Be5Ge7 to be Sr4Be3Ge5" +mp-28987,NaPt2Se3,-4.8074792846,-0.8153915568000001,0.0,-0.035411891,GGA,P6_3mc,AB2C3_hP24_186_ab_bc_2c:Na-Pt-Se,24.0,"Invalid WP multiplicities - AB2C3_hP24_186_ab_bc_3c:Na-Pt-Se, expected Na2Pt4Se9 to be NaPt2Se3" +mp-14588,Na2PtSe2,-4.145280197,-1.0036788246,0.0,-0.0270523004,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Na-Pt-Se,10.0,A2BC2_oC20_36_2a_a_2a:Na-Pt-Se +mp-1213877,Ce2(Ga3Ir)3,-5.3607160621,-0.6725485584,0.0,-0.1171650429,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Ir,28.0,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Ir +mp-1213791,CeGaIr,-6.7846184858,-0.8514120333,0.0,-0.1502641268,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ga-Ir,12.0,ABC_oP12_62_c_c_c:Ce-Ga-Ir +mp-867475,TaSnRu2,-8.8663604925,-0.2623218513,0.0,-0.0136627171,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Ta,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Ta +mp-1221491,Mo2RuSe4,-7.2224849793,-0.8011494549,0.0456366921,0.0454677521,GGA,P1,A2BC4_aP14_1_4a_2a_8a:Mo-Ru-Se,14.0,A2BC4_aP14_1_4a_2a_8a:Mo-Ru-Se +mp-675462,Mo2RuSe4,-7.2658381807,-0.8445026563,0.0022834907,0.0021145507,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Mo-Ru-Se,28.0,"Invalid WP multiplicities - A2BC4_aP28_2_7i_3i_15i:Mo-Ru-Se, expected Mo7(RuSe5)3 to be Mo2RuSe4" +mp-1221499,Mo2RuSe4,-7.2681216714,-0.8467861471,0.0,-0.00016894,GGA,P-1,A2BC4_aP14_2_2i_i_4i:Mo-Ru-Se,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_4i_i_7i:Mo-Ru-Se, expected Mo4RuSe7 to be Mo2RuSe4" +mp-977410,NbGaFe2,-7.7751991725,-0.2578383019,0.0,-0.0513998466,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Nb,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Nb +mp-28846,TaCoTe2,-6.8556540506,-0.5424772477,0.0043344158,0.0043344158,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Co-Ta-Te,16.0,ABC2_mP16_14_e_e_2e:Co-Ta-Te +mp-653697,Ta(CoTe)2,-6.9606056845,-0.4884006832,0.0,-0.0378220813,GGA,Pnma,A2BC2_oP40_62_2d_2c_2cd:Co-Ta-Te,40.0,"Invalid WP multiplicities - A2BC2_oP40_62_10d_5c_5c3d:Co-Ta-Te, expected Ta5Co20Te11 to be Ta(CoTe)2" +mp-1199549,Ta4CoTe4,-8.0263598364,-0.5693985155,0.0,-0.0525407522,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Co-Ta-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Co-Ta-Te +mp-1093703,Zr2ZnCd,-2.015886965,2.8036216925,3.0032494975,3.0032494975,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Zn-Zr,4.0,ABC2_oI8_71_a_b_e:Cd-Zn-Zr +mp-22274,HoTiSi,-6.6027350917,-0.6349954528,0.0,-0.0022369693,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ho-Si-Ti,6.0,ABC_tP6_129_c_c_a:Ho-Si-Ti +mp-510084,Ho2Ti3Si4,-6.8433075908,-0.7819113786,0.0,-0.0138853689,GGA,P4_12_12,A2B4C3_tP36_92_b_2b_ab:Ho-Si-Ti,36.0,A2B4C3_tP36_92_b_2b_ab:Ho-Si-Ti +mp-1096095,Hf2ZnMo,-4.5925967725,3.4123461725,3.593226511,3.593226511,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mo-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Mo-Zn +mp-1220791,Nd14Zn43Sn3,-2.602389919,-0.3865273382,0.0,-0.0012115533,GGA,Pm,A14B3C43_mP60_6_4a10b_3a_25a18b:Nd-Sn-Zn,60.0,A14B3C43_mP60_6_4a10b_3a_25a18b:Nd-Sn-Zn +mp-1220073,NdZnSn,-3.7580173167,-0.4121963508,0.2315894492,0.1660776477,GGA,P-3m1,ABC_hP6_164_c_d_d:Nd-Sn-Zn,6.0,ABC_hP6_164_c_d_d:Nd-Sn-Zn +mp-20201,NdZnSn,-3.9896067658,-0.6437858,0.0,-0.0655118015,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Nd-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Nd-Sn-Zn +mp-1189924,Nd2Zn5Sn,-2.9403541756,-0.4597810794,0.0,-0.0109909295,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:Nd-Sn-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:Nd-Sn-Zn +mp-972984,HoErAl2,-4.5525044075,-0.3921845725,0.0207291822,0.0207291822,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Er-Ho,4.0,A2BC_cF16_225_c_a_b:Al-Er-Ho +mp-1094822,MgBi2,-3.1201424567,-0.0263896867,0.09394253,0.09394253,GGA,C2/m,A2B_mC12_12_2i_i:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1039263,MgBi2,-3.1241314117,-0.0303786417,0.089953575,0.089953575,GGA,C2/m,A2B_mC12_12_2i_i:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1038896,MgBi2,-3.1419263,-0.04817353,0.0721586867,0.0721586867,GGA,C2/m,A2B_mC12_12_2i_i:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1095014,MgBi2,-3.1455129017,-0.0517601317,0.068572085,0.068572085,GGA,C2/m,A2B_mC12_12_2i_i:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1039058,MgBi2,-3.1198769033,-0.0261241333,0.0942080833,0.0942080833,GGA,C2/c,A2B_mC12_15_f_e:Bi-Mg,6.0,A2B_mC12_15_f_e:Bi-Mg +mp-1094677,MgBi2,-3.0992240783,-0.0054713083,0.1148609083,0.1148609083,GGA,Cmcm,A2B_oC12_63_g_c:Bi-Mg,6.0,A2B_oC12_63_g_c:Bi-Mg +mp-1094878,MgBi2,-3.1342884683,-0.0405356983,0.0797965183,0.0797965183,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1038792,MgBi2,-3.12353613,-0.02978336,0.0905488567,0.0905488567,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1094981,MgBi2,-3.1414142233,-0.0476614533,0.0726707633,0.0726707633,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Bi-Mg, expected MgBi3 to be MgBi2" +mp-1017498,CeMg6Bi,-2.4813713444,-0.0594640213,0.1628363547,0.1628363547,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Ce-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Ce-Mg, expected CeMg12Bi to be CeMg6Bi" +mp-1099331,CeMg6Bi,-2.4604910638,-0.0385837406,0.1837166353,0.1837166353,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Ce-Mg,8.0,ABC6_oC16_38_a_b_abde:Bi-Ce-Mg +mp-1026720,CeMg14Bi,-2.0367498613,-0.0256561747,0.0940642902,0.0940642902,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Ce-Mg, expected CeMg18Bi to be CeMg14Bi" +mp-1099098,CeMg14Bi,-1.9914714375,0.0196222491,0.1393427139,0.1393427139,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Ce-Mg, expected CeMg26Bi to be CeMg14Bi" +mp-1039236,MgBi,-2.7872437017,-0.0668591117,0.1136392133,0.1136392133,GGA,C2,AB_mC12_5_ac_bc:Bi-Mg,6.0,AB_mC12_5_ac_bc:Bi-Mg +mp-1095012,MgBi,-2.7991298233,-0.0787452333,0.1017530917,0.1017530917,GGA,C2,AB_mC12_5_ac_bc:Bi-Mg,6.0,AB_mC12_5_ac_bc:Bi-Mg +mp-1039050,MgBi,-2.7598539950000003,-0.039469405,0.14102892,0.14102892,GGA,Cm,AB_mC12_8_3a_3a:Bi-Mg,6.0,AB_mC12_8_3a_3a:Bi-Mg +mp-1038970,MgBi,-2.75715112,-0.03676653,0.143731795,0.143731795,GGA,Cm,AB_mC12_8_3a_3a:Bi-Mg,6.0,AB_mC12_8_3a_3a:Bi-Mg +mp-1039334,MgBi,-2.74666215,-0.02627756,0.154220765,0.154220765,GGA,Cm,AB_mC12_8_3a_3a:Bi-Mg,6.0,AB_mC12_8_3a_3a:Bi-Mg +mp-1038936,MgBi,-2.8276530425,-0.1072684525,0.0732298725,0.0732298725,GGA,C2/m,AB_mC8_12_i_i:Bi-Mg,4.0,AB_mC8_12_i_i:Bi-Mg +mp-1038799,MgBi,-2.81630483,-0.09592024,0.084578085,0.084578085,GGA,Amm2,AB_oC12_38_ae_bd:Bi-Mg,12.0,AB_oC12_38_2a2e_2b2d:Bi-Mg +mp-1038761,MgBi,-2.7770821142,-0.0566975242,0.1238008008,0.1238008008,GGA,Amm2,AB_oC12_38_2ab_a2b:Bi-Mg,12.0,AB_oC12_38_2a4b_4a2b:Bi-Mg +mp-1039395,MgBi,-2.7954570925,-0.0750725025,0.1054258225,0.1054258225,GGA,Amm2,AB_oC12_38_2ab_a2b:Bi-Mg,12.0,AB_oC12_38_2a4b_4a2b:Bi-Mg +mp-1039419,MgBi,-2.7600556633,-0.0396710733,0.1408272517,0.1408272517,GGA,Amm2,AB_oC12_38_2ab_a2b:Bi-Mg,12.0,AB_oC12_38_2a4b_4a2b:Bi-Mg +mp-1039188,MgBi,-2.8065477175,-0.0861631275,0.0943351975,0.0943351975,GGA,Pmma,AB_oP4_51_e_f:Bi-Mg,4.0,AB_oP4_51_e_f:Bi-Mg +mp-1185694,MgBi,-2.834008975,-0.113624385,0.06687394,0.06687394,GGA,Pmmn,AB_oP4_59_a_b:Bi-Mg,4.0,AB_oP4_59_a_b:Bi-Mg +mp-1039305,MgBi,-2.83796157,-0.11757698,0.062921345,0.062921345,GGA,R-3m,AB_hR6_166_a_b:Bi-Mg,2.0,AB_hR6_166_a_b:Bi-Mg +mp-1039074,MgBi,-2.752377785,-0.031993195,0.14850513,0.14850513,GGA,P-6m2,AB_hP2_187_a_d:Bi-Mg,2.0,AB_hP2_187_a_d:Bi-Mg +mp-1039154,MgBi,-2.804571,-0.08418641,0.096311915,0.096311915,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Mg,2.0,AB_cP2_221_a_b:Bi-Mg +mp-1039170,MgBi,-2.7808775,-0.06049291,0.120005415,0.120005415,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Mg,2.0,AB_cF8_225_a_b:Bi-Mg +mp-1016234,Mg3Bi,-2.2007792625,-0.0404469425,0.1041457332,0.1041457332,GGA,Pmm2,AB3_oP4_25_a_bcd:Bi-Mg,4.0,AB3_oP4_25_a_bcd:Bi-Mg +mp-1039198,Mg3Bi,-2.1741054475,-0.0137731275,0.1308195482,0.1308195482,GGA,Imm2,AB3_oI8_44_a_bc:Bi-Mg,4.0,AB3_oI8_44_a_bc:Bi-Mg +mp-1094676,Mg3Bi,-2.24068903,-0.08035671,0.0642359657,0.0642359657,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Mg,4.0,AB3_tI8_139_a_bd:Bi-Mg +mp-1039075,Mg3Bi,-2.2458678325,-0.0855355125,0.0590571632,0.0590571632,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Mg,8.0,AB3_hP8_194_c_h:Bi-Mg +mp-1039073,Mg3Bi,-2.2760841025,-0.1157517825,0.0288408932,0.0288408932,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Mg,4.0,AB3_cP4_221_a_c:Bi-Mg +mp-1038831,Mg3Bi,-2.187766605,-0.027434285,0.1171583907,0.1171583907,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Mg,4.0,AB3_cF16_225_a_bc:Bi-Mg +mp-1038899,Mg2Bi,-2.3463618067,0.0006546033,0.1852502314,0.1852502314,GGA,Cm,AB2_mC12_8_2a_4a:Bi-Mg,6.0,AB2_mC12_8_2a_4a:Bi-Mg +mp-978260,Mg2Bi,-2.4234959667,-0.0764795567,0.1081160714,0.1081160714,GGA,C2/m,AB2_mC12_12_i_2i:Bi-Mg,6.0,AB2_mC12_12_i_2i:Bi-Mg +mp-1039091,Mg2Bi,-2.3803660233,-0.0333496133,0.1512460148,0.1512460148,GGA,C2/m,AB2_mC12_12_i_2i:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Bi-Mg, expected Mg3Bi to be Mg2Bi" +mp-1038906,Mg2Bi,-2.37111842,-0.02410201,0.1604936181,0.1604936181,GGA,C2/m,AB2_mC12_12_i_2i:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Bi-Mg, expected Mg3Bi to be Mg2Bi" +mp-1038759,Mg2Bi,-2.3969168317,-0.0499004217,0.1346952064,0.1346952064,GGA,Amm2,AB2_oC12_38_2a_a3b:Bi-Mg,12.0,AB2_oC12_38_4a_2a6b:Bi-Mg +mp-1039242,Mg2Bi,-2.3684033417,-0.0213869317,0.1632086964,0.1632086964,GGA,Cmcm,AB2_oC12_63_c_2c:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Bi-Mg, expected Mg3Bi to be Mg2Bi" +mp-1039182,Mg2Bi,-2.3922217883,-0.0452053783,0.1393902498,0.1393902498,GGA,Cmcm,AB2_oC12_63_c_g:Bi-Mg,6.0,AB2_oC12_63_c_g:Bi-Mg +mp-1038789,Mg2Bi,-2.3887644033,-0.0417479933,0.1428476348,0.1428476348,GGA,Cmcm,AB2_oC12_63_c_2c:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Bi-Mg, expected Mg3Bi to be Mg2Bi" +mp-1038781,Mg2Bi,-2.4111936883,-0.0641772783,0.1204183498,0.1204183498,GGA,Cmcm,AB2_oC12_63_c_2c:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Bi-Mg, expected Mg3Bi to be Mg2Bi" +mp-1095831,InCuAu2,-2.3448237575,1.0048398425,1.1233782406,1.1233782406,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-In,4.0,A2BC_oI8_71_e_a_b:Au-Cu-In +mp-605867,CeIn7Pt2,-4.103176747,-0.3694625565,0.086224949,0.0804885855,GGA,I4/mmm,AB7C2_tI20_139_a_bdg_e:Ce-In-Pt,10.0,"Invalid WP multiplicities - AB7C2_tI20_139_a_b2d2g_e:Ce-In-Pt, expected CeIn13Pt2 to be CeIn7Pt2" +mp-1078439,CeIn7Pt2,-4.189401696,-0.4556875055,0.0,-0.0057363635,GGA,I4/mmm,AB7C2_tI20_139_a_bdg_e:Ce-In-Pt,10.0,AB7C2_tI20_139_a_bdg_e:Ce-In-Pt +mp-602328,Ce(InPt)2,-5.477674886,-0.761930235,0.0023216855,0.0023216855,GGA,P2_1/m,AB2C2_mP20_11_2e_4e_4e:Ce-In-Pt,20.0,"Invalid WP multiplicities - AB2C2_mP20_11_4e_7e_6e:Ce-In-Pt, expected Ce4In7Pt6 to be Ce(InPt)2" +mp-1214689,CeIn3Pt,-4.6025911073,-0.5507363742,0.0364699134,0.0364699134,GGA,Pm-3n,AB3C_cP40_223_ac_k_e:Ce-In-Pt,40.0,AB3C_cP40_223_ac_k_e:Ce-In-Pt +mp-640922,CeInPt,-5.8389595656,-0.9203241639,0.0,-0.0505448652,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-In-Pt,9.0,ABC_hP9_189_f_g_ad:Ce-In-Pt +mp-1071478,CeInPt4,-6.3039550133,-0.8090706525,0.0,-0.008373505,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-In-Pt,6.0,ABC4_cF24_216_a_c_e:Ce-In-Pt +mp-637609,Ce12InPt7,-6.6172138795,-0.794879538,0.0050675078,0.0050675078,GGA,I4/mcm,A12BC7_tI80_140_ghm_c_ahl:Ce-In-Pt,40.0,"Invalid WP multiplicities - A12BC7_tI80_140_3g3h5m_c_a2h3l:Ce-In-Pt, expected Ce52InPt17 to be Ce12InPt7" +mp-645893,Ce6In14Pt11,-5.2344379887,-0.6891291606000001,0.049183621,0.049183621,GGA,Cm,A6B14C11_mC62_8_6a_14a_11a:Ce-In-Pt,31.0,A6B14C11_mC62_8_6a_14a_11a:Ce-In-Pt +mp-670677,Ce5(In2Pt)2,-5.4803277568,-0.6790143627,0.0,-0.0504219123,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Ce-In-Pt,22.0,"Invalid WP multiplicities - A5B4C2_oP22_55_2a6g_4h_h:Ce-In-Pt, expected Ce7In4Pt to be Ce5(In2Pt)2" +mp-20357,Ce2InPt2,-6.37067327,-1.018647534,0.0,-0.0326006057,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-In-Pt,10.0,A2BC2_tP10_127_h_a_g:Ce-In-Pt +mp-1103614,Ce2In8Pt,-4.0661070518,-0.4342178273,0.0,-0.0069598909,GGA,P4/mmm,A2B8C_tP11_123_g_ehi_a:Ce-In-Pt,11.0,A2B8C_tP11_123_g_ehi_a:Ce-In-Pt +mp-1202127,Tb2Nb3Ge4,-7.1916549325,-0.7400150725,0.0,-0.0882599262,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Tb,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Tb +mp-862943,NaPmHg2,-2.03895437,-0.3688472835,0.0,-0.1059381393,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Pm,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Pm +mp-1007908,DyTlTe2,-4.5773748225,-1.2633643792,0.0,-0.0595307858,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Dy-Te-Tl +mp-1213639,Dy(TlTe2)3,-2.6178020980000003,0.437653066,1.2186122138,1.2186122138,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Dy-Te-Tl,10.0,AB6C3_oC20_65_a_kp_de:Dy-Te-Tl +mp-1205756,DyMgAu,-3.8459018822,-0.6855855856,0.0,-0.0858459591,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Dy-Mg,9.0,ABC_hP9_189_ad_f_g:Au-Dy-Mg +mp-867762,DyMgAu2,-3.970199745,-0.7814920225,0.0,-0.036142005,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Dy-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Dy-Mg +mp-862938,PmMgHg2,-2.21257919,-0.4730334144,0.0,-0.1867054567,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Pm,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Pm +mp-1215403,ZnHgTe2,-2.48370948,-0.5212005396,0.010611035,0.010611035,GGA,P-4m2,AB2C_tP4_115_a_g_c:Hg-Te-Zn,4.0,AB2C_tP4_115_a_g_c:Hg-Te-Zn +mp-1215476,ZnHgTe2,-2.4652391225,-0.5027301821,0.0290813925,0.0290813925,GGA,R3m,AB2C_hR12_160_a_2a_a:Hg-Te-Zn,4.0,AB2C_hR12_160_a_2a_a:Hg-Te-Zn +mp-1215660,ZnHg4Te5,-2.225811913,-0.4067124593,0.03368824,0.03368824,GGA,R3m,A4B5C_hR30_160_4a_5a_a:Hg-Te-Zn,10.0,A4B5C_hR30_160_4a_5a_a:Hg-Te-Zn +mp-1199912,Ce(Zn10Ir)2,-2.3515700207,-0.2296209026,0.0,-0.0114657955,GGA,Fd-3m,AB2C20_cF184_227_a_d_cfg:Ce-Ir-Zn,46.0,AB2C20_cF184_227_a_d_cfg:Ce-Ir-Zn +mp-972630,SmErZn2,-3.287053675,-0.3356056338,0.00638309,0.00638309,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Sm-Zn +mp-973841,LiHo2Al,-3.91360388,-0.2087747708,0.0099331798,0.0099331798,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ho-Li,4.0,AB2C_cF16_225_a_c_b:Al-Ho-Li +mp-1217328,ThMn3Al2,-7.2640186417,-0.1988426773,0.0253295577,0.0253295577,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Al-Mn-Th,6.0,A2B3C_oC12_65_e_ah_c:Al-Mn-Th +mp-1217310,ThMnAl,-6.9865984617,-0.2127820043,0.0129067035,0.0129067035,GGA,Imma,ABC_oI12_74_a_c_e:Al-Mn-Th,6.0,ABC_oI12_74_a_c_e:Al-Mn-Th +mp-1104243,Th(MnAl2)4,-6.0020500215,-0.3077018632,0.0067639569,0.0067639569,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Th,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Th +mp-867251,LiZn2Pt,-3.1866312,-0.5617453483,0.0,-0.1374967145,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pt-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Pt-Zn +mp-1095855,LiZnPt2,-2.1696069075,1.6581263717,2.244790675,2.2444897375,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pt-Zn,4.0,AB2C_oI8_71_a_e_b:Li-Pt-Zn +mp-1185418,LiZnPt2,-4.4143975825,-0.5866643033,0.0,-0.0003009375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Zn,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Zn +mp-17334,Sc2Cr4Si5,-7.6437954795,-0.5161847305,0.0,-0.01872483,GGA,Ibam,A4B2C5_oI44_72_fj_j_a2j:Cr-Sc-Si,22.0,"Invalid WP multiplicities - A4B2C5_oI44_72_2fj_j_2a3j:Cr-Sc-Si, expected ScCr3Si4 to be Sc2Cr4Si5" +mp-1097640,SiTc2As,-5.0912562925,2.6101722888000003,2.9710684777000003,2.9710684777000003,GGA,Immm,ABC2_oI8_71_a_b_e:As-Si-Tc,4.0,ABC2_oI8_71_a_b_e:As-Si-Tc +mp-1189470,NbReSi,-9.8125236167,-0.488806865,0.0,-0.061611016,GGA,Ima2,ABC_oI36_46_3b_ac_bc:Nb-Re-Si,18.0,ABC_oI36_46_3b_ac_bc:Nb-Re-Si +mp-1095061,NbReSi,-9.8031697789,-0.4794530272,0.0093538378,-0.0522571782,GGA,P-62m,ABC_hP9_189_f_g_ad:Nb-Re-Si,9.0,ABC_hP9_189_f_g_ad:Nb-Re-Si +mp-570062,ZrTiSe4,-6.584483445,-1.5133436855,0.0216094133,0.0216094133,GGA,P2/m,A4BC_mP6_10_mn_a_e:Se-Ti-Zr,6.0,"Invalid WP multiplicities - A4BC_mP6_10_2mn_c_e:Se-Ti-Zr, expected ZrTiSe6 to be ZrTiSe4" +mp-863721,Pm2IrPt,-6.9637147725,-0.8610517363,0.0,-0.8610517363,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Ir-Pm-Pt +mp-971831,Tm3Th,-5.16291613,0.0474249999999999,0.0474249999999999,0.0474249999999999,GGA,I4/mmm,AB3_tI8_139_a_bd:Th-Tm,4.0,AB3_tI8_139_a_bd:Th-Tm +mp-1187682,Tm3Th,-5.1715205025,0.0388206275,0.0388206275,0.0388206275,GGA,P6_3/mmc,AB3_hP8_194_c_h:Th-Tm,8.0,AB3_hP8_194_c_h:Th-Tm +mp-865251,TmThTc2,-8.24056572,-0.0878228292,0.0982715587,0.0982715587,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-Th-Tm,4.0,A2BC_cF16_225_c_a_b:Tc-Th-Tm +mp-980014,TmTh3,-6.645975845,0.0333766983,0.0333766983,0.0333766983,GGA,Pm-3m,A3B_cP4_221_c_a:Th-Tm,4.0,A3B_cP4_221_c_a:Th-Tm +mp-862829,PaTe2Au,-5.3934935425,-0.6247039308,0.0,-0.0012805975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pa-Te,4.0,ABC2_cF16_225_a_b_c:Au-Pa-Te +mp-1095785,Be2CoCu,-2.3261806225,2.3454069262,2.5509848913,2.5509848913,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Co-Cu,4.0,A2BC_oI8_71_e_a_b:Be-Co-Cu +mp-1096032,Zr2ReRh,-5.8790462225,3.3470128562,3.9081698511,3.9081698511,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Re-Rh-Zr +mp-1188019,Zr2ReRh,-9.7770242475,-0.5509651688,0.0101918261,0.0101918261,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Rh-Zr,4.0,ABC2_cF16_225_a_b_c:Re-Rh-Zr +mp-1095730,Tl2CdIn,-1.1588776025,0.9410873433,0.9410873433,0.9410873433,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-In-Tl,4.0,ABC2_oI8_71_a_b_e:Cd-In-Tl +mp-1093975,TlCdIn2,-1.1838459425,1.0133791492,1.0133791492,1.0133791492,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-In-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-In-Tl +mp-1184341,CeHgAu2,-3.7077341475,-0.5116007675,0.0,-0.0172732137,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Hg,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Hg +mp-6954,SrAgAs,-3.8498163583,-0.7894270711,0.0,-0.0722942739,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-As-Sr,6.0,ABC_hP6_194_c_d_a:Ag-As-Sr +mp-866292,Ba2TlCd,-2.159913415,-0.3790427183,0.0,-0.0613130088,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-Tl,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-Tl +mp-20449,CeInIr,-6.5260393444,-0.6849703228,0.0,-0.0749459044,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-In-Ir,9.0,ABC_hP9_189_f_g_ad:Ce-In-Ir +mp-20975,CeIn5Ir,-4.4581366914,-0.3824306936,0.0,-0.0421167353,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Ce-In-Ir,7.0,"Invalid WP multiplicities - AB5C_tP7_123_a_c2i_b:Ce-In-Ir, expected CeIn9Ir to be CeIn5Ir" +mp-1207157,Ce2In8Ir,-4.2660341255,-0.3825720955,0.0075443927,0.0075443927,GGA,P4/mmm,A2B8C_tP11_123_g_ehi_a:Ce-In-Ir,11.0,A2B8C_tP11_123_g_ehi_a:Ce-In-Ir +mp-21278,CeIn2Ir,-5.5855923138,-0.5168696150000001,0.03573962,0.03573962,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ce-In-Ir,8.0,AB2C_oC16_63_c_f_c:Ce-In-Ir +mp-1217728,Tb2(InSn)3,-4.1224897675,-0.4284273981,0.017794208,0.017794208,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Tb,8.0,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Tb +mp-867900,DyCdRh2,-5.6318502825,-0.5672771975,0.0,-0.008438505,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Dy-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Dy-Rh +mp-570768,Dy4CdRh,-4.9434181746,-0.4910273429,0.0,-0.0377237817,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Dy-Rh,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_4e4f5g_e:Cd-Dy-Rh, expected Dy35(CdRh)2 to be Dy4CdRh" +mp-1223843,HoBiTe3,-4.6250198000000005,-1.054456664,0.0253049995,0.0253049995,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-Ho-Te,5.0,ABC3_hR15_160_a_a_3a:Bi-Ho-Te +mp-30307,DyBiRh,-6.0303122867,-0.7597843400000001,0.0,-0.0666514108,GGA,P-62m,ABC_hP9_189_f_g_bc:Bi-Dy-Rh,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:Bi-Dy-Rh, expected Dy3Bi3Rh5 to be DyBiRh" +mp-975055,Rb3Ac,-1.2824090775,0.4832852287,0.4832852287,0.4832852287,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Rb,4.0,AB3_tI8_139_a_bd:Ac-Rb +mp-974658,Rb3Ac,-1.28809959,0.4775947162,0.4775947162,0.4775947162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Rb,8.0,AB3_hP8_194_c_h:Ac-Rb +mp-862797,RbAcTe2,-4.30285787,-1.4557776533,0.0,-0.4278294216,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Rb-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Rb-Te +mp-975195,RbAc3,-2.9413840525,0.3946307212,0.3946307212,0.3946307212,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Rb,8.0,A3B_hP8_194_h_c:Ac-Rb +mp-975468,RbAc3,-2.95149474,0.3845200337,0.3845200337,0.3845200337,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Rb,4.0,A3B_cP4_221_c_a:Ac-Rb +mp-972626,SmGaAu2,-4.208342785,-0.6347312456,0.027100518,0.027100518,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Sm +mp-1219199,Sm2Ga5Au3,-3.940740871,-0.5008110327,0.0832806825,0.0832806825,GGA,P-4m2,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Sm,10.0,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Sm +mp-1219033,SmGa3Au,-3.994930242,-0.5795790015,0.0,-0.058290969,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-Ga-Sm,5.0,AB3C_tI10_107_a_ab_a:Au-Ga-Sm +mp-979961,Yb2AgHg,-2.0670645725,-0.5132013404,0.013279,0.013279,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Yb,,ABC2_cF16_225_a_b_c:Ag-Hg-Yb +mp-1187942,YbAgHg2,-1.648393165,-0.4035119117,0.0036558949,0.0036558949,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Yb,,AB2C_cF16_225_a_c_b:Ag-Hg-Yb +mp-680463,Rb4Pb9,-3.0297232623,-0.1577263454,0.0,-0.0241004829,GGA,P2_1/m,A9B4_mP52_11_6e6f_2e3f:Pb-Rb,52.0,"Invalid WP multiplicities - A9B4_mP52_11_11e24f_4e8f:Pb-Rb, expected Rb20Pb59 to be Rb4Pb9" +mp-974832,Rb3Pb,-1.656546535,0.0070157869,0.1155868002,0.1155868002,GGA,Fm-3m,AB3_cF16_225_a_bc:Pb-Rb,4.0,AB3_cF16_225_a_bc:Pb-Rb +mp-21525,RbPb,-2.5637325978,-0.2171420266,0.0,-0.1032285549,GGA,I4_1/acd,AB_tI64_142_g_ef:Pb-Rb,32.0,AB_tI64_142_g_ef:Pb-Rb +mp-608081,Rb3Pb4Au,-2.7589620438,-0.1257029816,0.0762341182,0.0762341182,GGA,Pmmn,AB4C3_oP16_59_a_ef_be:Au-Pb-Rb,16.0,"Invalid WP multiplicities - AB4C3_oP16_59_a_3e3f_2b2e:Au-Pb-Rb, expected Rb6Pb12Au to be Rb3Pb4Au" +mp-1186613,PmLuMg2,-3.19653537,-0.0785221344,0.0071554513,0.0071554513,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Pm +mp-1077596,EuInPt4,-6.9148867783,-0.69935031,0.0,-0.0073569869,GGA,F-43m,ABC4_cF24_216_a_c_e:Eu-In-Pt,6.0,ABC4_cF24_216_a_c_e:Eu-In-Pt +mp-21051,EuInPt,-7.2045537358,-0.8446141192000001,0.0,-0.0708043061,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-In-Pt,12.0,ABC_oP12_62_c_c_c:Eu-In-Pt +mp-1095035,Eu2InPt2,-7.975940435,-0.894349641,0.0,-0.0169960106,GGA,C2/c,A2BC2_mC20_15_f_e_f:Eu-In-Pt,10.0,A2BC2_mC20_15_f_e_f:Eu-In-Pt +mp-972526,SmSnAu2,-4.5178237025,-0.6988432050000001,0.0,-0.0063135448,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sm-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Sm-Sn +mp-4304,SmSnAu,-4.8375530217,-0.836873025,0.0189009883,-0.123637904,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Sm-Sn,6.0,ABC_hP6_186_b_a_b:Au-Sm-Sn +mp-1077233,SmSnAu,-4.7665342917,-0.765854295,0.0899197183,-0.052619174,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Sm-Sn,6.0,ABC_hP6_194_c_a_d:Au-Sm-Sn +mp-13305,SmSnAu,-4.85645401,-0.8557740133,0.0,-0.1425388924,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Sm-Sn,3.0,ABC_cF12_216_c_a_b:Au-Sm-Sn +mp-1105008,Tm(Mo3Se4)2,-7.438769074,-0.9376338804,0.0628232159,0.0628232159,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Tm,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Tm +mp-1208028,Tm4MgGe4,-5.0043876692,-0.7826395399,0.0048233608,0.0048233608,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Mg-Tm,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Mg-Tm +mp-1216973,Tm7Mg3Ge8,-4.7751205183,-0.7131254654,0.0125622224,0.0125622224,GGA,P2_1,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Tm,36.0,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Tm +mp-865403,Tm2MgGe2,-4.705937138,-0.7463358167,0.0,-0.0419602308,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Tm,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Tm +mp-1026805,LaCeMg14,-2.0484270269,0.0311365331,0.077961568,0.077961568,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-La-Mg, expected LaCeMg18 to be LaCeMg14" +mp-1026906,LaCeMg14,-2.0315987756,0.0479647844,0.0947898193,0.0947898193,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-La-Mg,16.0,ABC14_aP16_1_a_a_14a:Ce-La-Mg +mp-1017490,LaCeMg6,-2.4960989963,0.0627480737,0.1431705,0.1431705,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ce-La-Mg, expected LaCeMg12 to be LaCeMg6" +mp-1185169,LaCeMg2,-3.52461769,-0.0072036,0.08660494,0.08660494,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-La-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-La-Mg +mp-28019,NbCrSe5,-6.240134375,-0.9210043895,0.0,-0.0062223488,GGA,P2_1/m,ABC5_mP14_11_e_e_5e:Cr-Nb-Se,14.0,"Invalid WP multiplicities - ABC5_mP14_11_e_e_9e:Cr-Nb-Se, expected NbCrSe9 to be NbCrSe5" +mp-7443,Nb2CrSe4,-7.2674134129,-1.0046557756,0.053304139,0.053304139,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Nb-Se,7.0,"Invalid WP multiplicities - AB2C4_mC14_12_a_i_4i:Cr-Nb-Se, expected Nb2CrSe8 to be Nb2CrSe4" +mp-570420,Nb2CrSe4,-7.1009449311,-0.8381872938,0.2197726208,0.2197726208,GGA,P6_3/mmc,AB2C4_hP28_194_ac_bh_fk:Cr-Nb-Se,28.0,"Invalid WP multiplicities - AB2C4_hP28_194_ac_2b3h_3f3k:Cr-Nb-Se, expected Nb11(CrSe12)2 to be Nb2CrSe4" +mp-1220606,Nb5Cr3Se20,-6.2840620754,-0.948922891,0.010553236,0.010553236,GGA,Pm,A3B5C20_mP28_6_2ab_2a3b_10a10b:Cr-Nb-Se,28.0,A3B5C20_mP28_6_2ab_2a3b_10a10b:Cr-Nb-Se +mp-1220642,Nb5Cr3Se20,-6.2854938389,-0.9503546545,0.0091214725,0.0091214725,GGA,Pm,A3B5C20_mP28_6_2ab_2a3b_10a10b:Cr-Nb-Se,28.0,A3B5C20_mP28_6_2ab_2a3b_10a10b:Cr-Nb-Se +mp-985289,Nb3CrSe6,-7.204101056,-1.1108579104,0.0,-0.0527355537,GGA,P6_322,AB3C6_hP20_182_c_af_i:Cr-Nb-Se,20.0,"Invalid WP multiplicities - AB3C6_hP20_182_c_a2f_i:Cr-Nb-Se, expected Nb5CrSe6 to be Nb3CrSe6" +mp-17865,Nb4CrSe8,-6.97780278,-0.9758366684,0.1454396433,0.1454396433,GGA,P6_3/mmc,AB4C8_hP26_194_b_ag_fk:Cr-Nb-Se,26.0,"Invalid WP multiplicities - AB4C8_hP26_194_b_2ag_2f3k:Cr-Nb-Se, expected Nb5CrSe22 to be Nb4CrSe8" +mp-865833,LaYbZn2,-2.593085415,-0.3443097638,0.0,-0.0231490825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Yb-Zn,,ABC2_cF16_225_a_b_c:La-Yb-Zn +mp-862257,Sc2ZnAu,-4.8986601975,-0.5990192425,0.0,-0.004186425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Sc-Zn +mp-1093879,ScZnAu2,-2.476307475,1.0586867037,1.6846321047,1.6846321047,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Sc-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Sc-Zn +mp-1186992,ScZnAu2,-4.14497898,-0.6099848013,0.0159605997,0.0159605997,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Sc-Zn +mp-972925,ScZn2Au,-3.49157284,-0.4601132587,0.022992731,0.022992731,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Sc-Zn +mp-1097096,Ti2CuRh,-4.2907284,2.5228962433,2.9941311336,2.9941311336,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Rh-Ti +mp-1093915,TiCuRh2,-4.5410815975,2.1397470092,2.6821764762,2.6821764762,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Rh-Ti,4.0,AB2C_oI8_71_a_e_b:Cu-Rh-Ti +mp-1099079,CeMg14Sn,-2.0505140756,-0.0288527188,0.0760847034,0.0760847034,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Sn, expected CeMg18Sn to be CeMg14Sn" +mp-1028363,CeMg14Sn,-2.0054956675,0.0161656894,0.1211031116,0.1211031116,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Sn, expected CeMg26Sn to be CeMg14Sn" +mp-1192818,Ce6Mg23Sn,-2.5901843237,-0.0430327258,0.0329941839,0.0329941839,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Sn,30.0,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Sn +mp-1095568,CeMgSn,-4.309952985,-0.462305965,0.0,-0.0646371969,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Mg-Sn,12.0,ABC_oP12_62_c_c_c:Ce-Mg-Sn +mp-1021654,CeMg6Sn,-2.49769935,-0.0546566862,0.1327503997,0.1327503997,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Sn, expected CeMg12Sn to be CeMg6Sn" +mp-962078,CaCdSi,-2.8811540033,-0.0965514467,0.2559678261,0.2559678261,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Cd-Si,3.0,ABC_cF12_216_a_c_b:Ca-Cd-Si +mp-9916,NbCrSi,-8.86872173,-0.4754982167,0.0253131738,0.0253131738,GGA,P-62m,ABC_hP9_189_f_g_bc:Cr-Nb-Si,9.0,ABC_hP9_189_f_g_bc:Cr-Nb-Si +mp-1189988,Nb4CrSi3,-8.8542079163,-0.5624302013,0.0273351739,0.0273351739,GGA,I4/mcm,AB4C3_tI32_140_b_k_ah:Cr-Nb-Si,16.0,AB4C3_tI32_140_b_k_ah:Cr-Nb-Si +mp-29645,Nb2Cr4Si5,-8.2525884732,-0.4397348268,0.0,-0.0192583035,GGA,Ibam,A4B2C5_oI44_72_fj_j_a2j:Cr-Nb-Si,22.0,"Invalid WP multiplicities - A4B2C5_oI44_72_2fj_j_a3j:Cr-Nb-Si, expected Nb2Cr6Si7 to be Nb2Cr4Si5" +mp-569796,Nb2Cr4Si5,-7.9501946532,-0.1373410068,0.30239382,0.2831355165,GGA,Ibam,A4B2C5_oI44_72_2j_f_a2j:Cr-Nb-Si,22.0,"Invalid WP multiplicities - A4B2C5_oI44_72_5j_f_2a5j:Cr-Nb-Si, expected NbCr5Si6 to be Nb2Cr4Si5" +mp-1220824,Nb4Cr7Si8,-8.4029497457,-0.4356288672,0.0143689016,0.0143689016,GGA,Pnma,A7B4C8_oP76_62_3c2d_4c_6cd:Cr-Nb-Si,76.0,A7B4C8_oP76_62_3c2d_4c_6cd:Cr-Nb-Si +mp-1220838,Nb4Cr7Si8,-8.3886613718,-0.4213404934,0.0286572754,0.0286572754,GGA,Pnma,A7B4C8_oP76_62_3c2d_4c_6cd:Cr-Nb-Si,76.0,A7B4C8_oP76_62_3c2d_4c_6cd:Cr-Nb-Si +mp-1198196,Nb3(CrSi)8,-8.3373732147,-0.39364484,0.0298990213,0.0298990213,GGA,Pnma,A8B3C8_oP76_62_4c2d_3c_6cd:Cr-Nb-Si,76.0,A8B3C8_oP76_62_4c2d_3c_6cd:Cr-Nb-Si +mp-1220673,Nb3Cr8Si,-9.4328197083,-0.0200186325,0.1348245843,0.1348245843,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Cr-Nb-Si,12.0,A8B3C_hP12_156_2b2d_a2c_a:Cr-Nb-Si +mp-1220777,Nb2(CrSi)3,-8.5587724538,-0.3790591313,0.0850501829,0.0850501829,GGA,Amm2,A3B2C3_oC32_38_df_abe_abde:Cr-Nb-Si,16.0,A3B2C3_oC32_38_df_abe_abde:Cr-Nb-Si +mp-3276,Nb4Cr2Si5,-8.3853932168,-0.4910381941,0.034578092,0.034578092,GGA,Ibam,A2B4C5_oI44_72_f_2j_a2j:Cr-Nb-Si,22.0,A2B4C5_oI44_72_f_2j_a2j:Cr-Nb-Si +mp-1220471,NbCr4Si,-8.9681999192,0.0549355725,0.3150680597,0.3150680597,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Cr-Nb-Si,12.0,A4BC_hP12_164_abi_d_d:Cr-Nb-Si +mp-542065,CdAgSb,-2.6866169033,-0.0584679022,0.0323337001,0.0323337001,GGA,F-43m,ABC_cF12_216_c_a_b:Ag-Cd-Sb,3.0,ABC_cF12_216_c_a_b:Ag-Cd-Sb +mp-631398,TeOsCl2,-4.1737175775,0.3432190833,1.0970542366,1.0970542366,GGA,F-43m,A2BC_cF16_216_ac_b_d:Cl-Os-Te,4.0,A2BC_cF16_216_ac_b_d:Cl-Os-Te +mp-28866,Te2OsCl12,-3.6568805153,-1.0104525729,0.0146652038,0.0146652038,GGA,P-1,A12BC2_aP15_2_6i_a_i:Cl-Os-Te,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:Cl-Os-Te, expected Te2OsCl14 to be Te2OsCl12" +mp-1184442,EuGdRh2,-10.33177904,-0.566344095,0.0401915452,0.0401915452,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Eu-Gd-Rh +mp-1186235,Nd2AgRu,-5.6173788,-0.2065654479,0.0235192669,0.0235192669,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Nd-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Nd-Ru +mp-1184237,ErZrRu2,-8.4595600175,-0.5435038875,0.0,-0.0271376228,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Zr +mp-977407,Hf2ReRh,-10.61776385,-0.6869605712,0.0,-0.063563708,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Re-Rh,4.0,A2BC_cF16_225_c_a_b:Hf-Re-Rh +mp-30025,DyBr2,-4.4383554579,-1.8674076246,0.191338471,0.191338471,GGA,Pbca,A2B_oP24_61_2c_c:Br-Dy,24.0,A2B_oP24_61_2c_c:Br-Dy +mp-864986,DyBr2,-4.5070707517,-1.9361229183,0.1226231772,0.1226231772,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Dy,6.0,A2B_tP6_136_f_a:Br-Dy +mp-864982,DyBr3,-4.632557315,-2.3160893575,0.0,-0.8639971687,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Dy,8.0,A3B_hP8_194_h_c:Br-Dy +mp-1079040,CsDyBr3,-4.012957112,-1.9807022716,0.0924846973,0.0924846973,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:Br-Cs-Dy,10.0,A3BC_tP10_127_bg_c_a:Br-Cs-Dy +mp-1187001,Sm2TlIn,-4.0682218475,-0.4303470608,0.003761685,0.003761685,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Sm-Tl,4.0,AB2C_cF16_225_a_c_b:In-Sm-Tl +mp-672340,LiIn2Ru,-4.31890693,-0.1472337133,0.0378665567,0.0378665567,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Ru,4.0,A2BC_cF16_225_c_a_b:In-Li-Ru +mp-1183960,Ca3Eu,-4.0477137275,0.0207366325,0.0207366325,0.0207366325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Eu,8.0,A3B_hP8_194_h_c:Ca-Eu +mp-1183636,Ca3Eu,-4.01966663,0.04878373,0.04878373,0.04878373,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Eu,4.0,A3B_cP4_221_c_a:Ca-Eu +mp-1183612,CaYbEu2,-5.996975765,0.017827175,0.017827175,0.017827175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Eu-Yb,,AB2C_cF16_225_a_c_b:Ca-Eu-Yb +mp-1183620,CaEu3,-8.1748821,0.01926922,0.01926922,0.01926922,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Eu,4.0,AB3_tI8_139_a_bd:Ca-Eu +mp-1183604,CaEu3,-8.1845479788,0.0096033412,0.0096033412,0.0096033412,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Eu,8.0,AB3_hP8_194_c_h:Ca-Eu +mp-1183671,CaEu3,-8.17789625,0.01625507,0.01625507,0.01625507,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Eu,4.0,AB3_cF16_225_a_bc:Ca-Eu +mp-1228565,Ba3Sr3Np2,-3.9258237325,0.6642968353,0.6671291191000001,0.6671291191000001,GGA,P-4m2,A3B2C3_tP8_115_abc_g_dg:Ba-Np-Sr,8.0,A3B2C3_tP8_115_abc_g_dg:Ba-Np-Sr +mp-1227824,BaSr2Np,-3.90202466,0.6594107220000001,0.6631871003,0.6631871003,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ba-Np-Sr,4.0,ABC2_cF16_216_a_c_bd:Ba-Np-Sr +mp-1183335,BaSr3,-1.7402632025,0.0066006225,0.01226519,0.01226519,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Sr,4.0,AB3_tI8_139_a_bd:Ba-Sr +mp-984699,BaSr3,-1.7271561312,0.0197076938,0.0253722613,0.0253722613,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Sr,8.0,AB3_hP8_194_c_h:Ba-Sr +mp-1183324,BaSr3,-1.7370929975,0.0097708275,0.015435395,0.015435395,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Sr,4.0,AB3_cF16_225_a_bc:Ba-Sr +mp-1076925,Ba3Np,-3.9963425725,0.6798335528,0.6798335528,0.6798335528,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Np,4.0,A3B_cF16_225_ac_b:Ba-Np +mp-1227650,BaSr4,-1.741431956,-0.0060422053,0.0,-0.0060422053,GGA,R-3m,AB4_hR15_166_a_2c:Ba-Sr,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ba-Sr, expected BaSr6 to be BaSr4" +mp-1183345,Ba3Sr,-1.847221245,0.0143833233,0.0162715125,0.0162715125,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Sr,4.0,A3B_tI8_139_ad_b:Ba-Sr +mp-1183369,Ba3Sr,-1.845675545,0.0159290233,0.0178172125,0.0178172125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Sr,8.0,A3B_hP8_194_h_c:Ba-Sr +mp-1183330,Ba3Sr,-1.85997382,0.0016307483,0.0035189375,0.0035189375,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Sr,4.0,A3B_cF16_225_ac_b:Ba-Sr +mp-1182539,Ba2SrNp,-3.92814345,0.6906623036,0.6925504928,0.6925504928,GGA,R-3m,A2BC_hR12_166_c_a_b:Ba-Np-Sr,4.0,A2BC_mC8_12_i_a_c:Ba-Np-Sr +mp-1064865,Ba2SrNp,-3.9556049475,0.6632008061,0.6650889953,0.6650889953,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Np-Sr,4.0,A2BC_cF16_225_c_a_b:Ba-Np-Sr +mp-1227725,BaSr,-1.80162182,0.0026123767,0.006388755,0.006388755,GGA,Cmmm,AB_oC4_65_a_c:Ba-Sr,2.0,AB_oC4_65_a_c:Ba-Sr +mp-864904,HoCdAg2,-3.0775717,-0.2849690408,0.0,-0.0164570695,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Ho,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Ho +mp-1197955,Gd3Ge13Ru4,-7.4172922457,-0.446025296,0.0,-0.012512577,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Ru,40.0,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Ru +mp-19714,GdGeRu,-10.0229226825,-0.6984051375,0.0,-0.1269939192,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ge-Ru,12.0,ABC_oP12_62_c_c_c:Gd-Ge-Ru +mp-1190089,CsHf2Br9,-4.89066737,-1.9917477532,0.0,-0.0258838813,GGA,P2/c,A9BC2_mP24_13_e4g_f_g:Br-Cs-Hf,24.0,A9BC2_mP24_13_e4g_f_g:Br-Cs-Hf +mp-1238793,Cs2HfBr6,-4.44573329,-2.1050484284,0.0,-0.0789338333,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Hf,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Hf +mp-19886,ThSnPt,-6.90377021,-1.0722490683,0.0,-0.1867177767,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sn-Th,3.0,ABC_cF12_216_c_a_b:Pt-Sn-Th +mp-1212718,Ga3Te3Br,-3.6152286775,-0.7484809521,0.0,-0.0346298015,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Br-Ga-Te,28.0,AB3C3_oP28_62_c_3c_3c:Br-Ga-Te +mp-570186,Ga2Te2Br7,-3.1735496359,-1.0631858048,0.0,-0.0154085585,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:Br-Ga-Te,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_23e_5e_7e:Br-Ga-Te, expected Ga5Te7Br23 to be Ga2Te2Br7" +mp-976333,Li2AcTl,-2.77822691,-0.2028109381,0.0,-0.002753786,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Li-Tl +mp-1185293,LiAc2Tl,-3.2985553025,-0.1700762954,0.0015116892,0.0015116892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Ac-Li-Tl +mp-862549,LiAcTl2,-3.0007990575,-0.3119530156,0.0,-0.1646976672,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Ac-Li-Tl +mp-1096396,Hf2BeRe,-5.041309835,3.9832696925,4.2412726661,4.2412726661,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Hf-Re,4.0,AB2C_oI8_71_a_e_b:Be-Hf-Re +mp-639659,InCuPt2,-5.10240879,-0.35411953,0.0,-0.0029984381,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Cu-In-Pt,4.0,ABC2_tP4_123_a_c_e:Cu-In-Pt +mp-1097431,ScHgPd2,-3.200947335,1.0480309375,1.7027654675,1.7027654675,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Hg-Pd-Sc +mp-1093721,ScHg2Pd,-1.6291719025,1.4007560088,1.8546413875,1.8546413875,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Pd-Sc,4.0,A2BC_oI8_71_e_a_b:Hg-Pd-Sc +mp-1096309,Sc2HgPd,-2.8911285625,1.6459965338,2.314650335,2.314650335,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-Pd-Sc +mp-1184094,Dy2CuPt,-5.60756258,-0.7615841625,0.0124537869,0.0124537869,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Dy-Pt,4.0,AB2C_cF16_225_a_c_b:Cu-Dy-Pt +mp-542752,Ce4Co2Sn5,-5.7921009827,-0.5196599386,0.0,-0.0192174728,GGA,C2/m,A4B2C5_mC22_12_2i_i_a2i:Ce-Co-Sn,11.0,A4B2C5_mC22_12_2i_i_a2i:Ce-Co-Sn +mp-21915,Ce3Co4Sn13,-5.2685481032,-0.3506994653,0.0140354511,0.0140354511,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ce-Co-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ce-Co-Sn +mp-30203,Sc6AgTe2,-5.9287476114,-0.6938606758,0.0121510692,0.0121510692,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Ag-Sc-Te,36.0,AB6C2_oP36_62_c_6c_2c:Ag-Sc-Te +mp-27334,Tl3FeCl5,-4.0167744456,-1.2611484511,0.0,-0.0032160789,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Cl-Fe-Tl,18.0,A5BC3_tI36_140_cl_b_ah:Cl-Fe-Tl +mp-1209590,Rb2MnSb2,-3.414413,0.4618041834,0.8739129409,0.8739129409,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Rb-Sb,5.0,AB2C2_tP5_123_a_g_g:Mn-Rb-Sb +mp-3165,RbMnSb,-4.9304150867,-0.1732315518,0.1701924128,0.1701924128,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Rb-Sb,6.0,ABC_tP6_129_a_c_c:Mn-Rb-Sb +mp-786,MnSb,-6.7718627425,-0.1263544765,0.0,-0.0171419895,GGA,P6_3/mmc,AB_hP4_194_a_c:Mn-Sb,4.0,AB_hP4_194_a_c:Mn-Sb +mp-1009213,MnSb,-6.31918729,0.326320976,0.4526754525,0.435533463,GGA,F-43m,AB_cF8_216_a_c:Mn-Sb,2.0,AB_cF8_216_a_c:Mn-Sb +mp-1009207,MnSb,-6.442680185,0.202828081,0.3291825575,0.312040568,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Sb,2.0,AB_cP2_221_a_b:Mn-Sb +mp-1009217,MnSb,-6.60426264,0.041245626,0.1676001025,0.150458113,GGA,Fm-3m,AB_cF8_225_a_b:Mn-Sb,2.0,AB_cF8_225_a_b:Mn-Sb +mp-1221564,MnSb4,-4.993165416,0.1424386344,0.192980425,0.192980425,GGA,P4/mmm,AB4_tP5_123_a_2g:Mn-Sb,5.0,"Invalid WP multiplicities - AB4_tP5_123_a_3g:Mn-Sb, expected MnSb6 to be MnSb4" +mp-20664,Mn2Sb,-7.522097285,-0.0377533436,0.046482974,0.046482974,GGA,P4/nmm,A2B_tP6_129_ac_c:Mn-Sb,6.0,A2B_tP6_129_ac_c:Mn-Sb +mp-6912,Mn2Sb,-7.3392006467,0.1451432947,0.2293796124,0.2293796124,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Mn-Sb,6.0,A2B_hP6_194_ac_d:Mn-Sb +mp-1008875,Mn2Sb,-7.2472731233,0.237070818,0.3213071357,0.3213071357,GGA,F-43m,A2B_cF12_216_ac_b:Mn-Sb,3.0,A2B_cF12_216_ac_b:Mn-Sb +mp-1221705,Mn3Sb2,-7.130411208,0.0183984632,0.1194820444,0.1194820444,GGA,P-6m2,A3B2_hP5_187_ai_bc:Mn-Sb,5.0,A3B2_hP5_187_ai_bc:Mn-Sb +mp-684805,Mn14Sb13,-6.84597279,-0.10726056,0.014414121,0.014414121,GGA,C2/c,A14B13_mC108_15_ae6f_e6f:Mn-Sb,54.0,"Invalid WP multiplicities - A14B13_mC108_15_2a2e21f_2e22f:Mn-Sb, expected MnSb to be Mn14Sb13" +mp-684881,Mn27Sb26,-6.8042626306,-0.1112730999,0.0126973299,0.0126973299,GGA,P1,A27B26_aP53_1_27a_26a:Mn-Sb,53.0,A27B26_aP53_1_27a_26a:Mn-Sb +mp-1221363,Mn5Sb4,-6.9720100433,-0.0468898855,0.0654252047,0.0654252047,GGA,P-6m2,A5B4_hP9_187_c2i_abh:Mn-Sb,9.0,"Invalid WP multiplicities - A5B4_hP9_187_c4i_abh:Mn-Sb, expected Mn9Sb4 to be Mn5Sb4" +mp-1185930,Mn3Sb,-7.8592613737,0.0445004053,0.1076776435,0.1076776435,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Sb,8.0,A3B_hP8_194_h_c:Mn-Sb +mp-1636,Mn3Sb,-7.8745202725,0.0292415066,0.0924187448,0.0924187448,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Sb,4.0,A3B_cP4_221_c_a:Mn-Sb +mp-1185950,Mn3Sb,-7.85436549,0.0493962891,0.1125735273,0.1125735273,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Sb,4.0,A3B_cF16_225_ac_b:Mn-Sb +mp-1221744,Mn7Sb4,-7.2489568209,0.0828715431,0.1747657078,0.1747657078,GGA,P-6m2,A7B4_hP11_187_cg2i_abh:Mn-Sb,11.0,"Invalid WP multiplicities - A7B4_hP11_187_cg4i_abh:Mn-Sb, expected Mn11Sb4 to be Mn7Sb4" +mp-1093549,BaHg2Sb,-1.0112884775,0.65254575,1.2157509222,1.2157509222,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-Sb,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-Sb +mp-1096502,Ba2HgSb,-1.600630625,0.4670272462,1.340270062,1.340270062,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Sb,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Sb +mp-2988,Li2GaRh,-4.0396674475,-0.487105041,0.0,-0.1094974248,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Li-Rh,4.0,AB2C_cF16_216_a_bc_d:Ga-Li-Rh +mp-862730,LiGaRh2,-5.447360665,-0.5309520077000001,0.0,-0.09646781,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Rh +mp-4913,LiGa2Rh,-4.3831979725,-0.5508422771,0.0,-0.0447058846,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Rh +mp-31483,Na5TlSn3,-2.5243492033,-0.1905730723,0.0,-0.0055314445,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:Na-Sn-Tl,36.0,A5B3C_mP36_14_5e_3e_e:Na-Sn-Tl +mp-1093704,NaTl2Sn,-1.6543580825,0.8599877779,0.9699107424,0.9699107424,GGA,Immm,ABC2_oI8_71_a_b_e:Na-Sn-Tl,4.0,ABC2_oI8_71_a_b_e:Na-Sn-Tl +mp-1186187,NaTl2Sn,-2.5920624875,-0.0777166271,0.0322063374,0.0322063374,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Sn-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Sn-Tl +mp-865917,Lu2ZnTc,-5.38900063,-0.2234297313,0.0613187794,0.0613187794,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Tc-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Tc-Zn +mp-1185071,LaNdMg2,-3.32990779,-0.1037291306,0.0058127325,0.0058127325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:La-Mg-Nd +mp-863674,ErMgHg2,-2.1384082175,-0.44456832,0.0,-0.09441545,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Mg +mp-1093574,Hf2TiIr,-5.7083525275,3.4537235367,4.0120831052,4.0120831052,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Ti,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Ti +mp-980005,AcYbRh2,-5.66257554,-0.5652257831,0.0,-0.1228592644,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Rh-Yb,,AB2C_cF16_225_a_c_b:Ac-Rh-Yb +mp-1096366,Zr2BeTc,-4.39265788,3.4062053875,3.5966120353,3.5966120353,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Be-Tc-Zr +mp-570863,CrCoPt2,-7.362382145,-0.1364741687,0.0341409493,0.0341409493,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Co-Cr-Pt,4.0,ABC2_tP4_123_a_c_e:Co-Cr-Pt +mp-1226287,CrCoPt2,-7.1818830325,0.0440249438,0.2146400618,0.2146400618,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Cr-Pt,4.0,ABC2_hR12_160_a_a_2a:Co-Cr-Pt +mp-867798,La2AgRu,-5.705267585,-0.2105243967,0.0526861684,0.0526861684,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-La-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-La-Ru +mp-961704,NbTlPt,-5.52913571,0.6492247922000001,1.0573236206,1.0573236206,GGA,F-43m,ABC_cF12_216_a_b_c:Nb-Pt-Tl,3.0,ABC_cF12_216_a_b_c:Nb-Pt-Tl +mp-569366,Nb3Tl,-7.9583102437,0.2083293229,0.2083293229,0.2083293229,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Tl,8.0,A3B_cP8_223_c_a:Nb-Tl +mp-972641,SmHoIr2,-7.4949265425,-0.7504607012000001,0.0420427152,0.0420427152,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ir-Sm,4.0,AB2C_cF16_225_a_c_b:Ho-Ir-Sm +mp-5610,Ca(AsRu)2,-6.632903168,-0.6583748140000001,0.0,-0.1027222586,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Ru,5.0,A2BC2_tI10_139_e_a_d:As-Ca-Ru +mp-862364,Sc2OsPt,-8.32824109,-0.83738135,0.0,-0.0217800422,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Os-Pt-Sc +mp-1208999,ScAgSn,-4.8522656183,-0.4607332972,0.0,-0.0447044759,GGA,Ima2,ABC_oI36_46_ac_3b_bc:Ag-Sc-Sn,18.0,ABC_oI36_46_ac_3b_bc:Ag-Sc-Sn +mp-1208964,ScAgSn,-4.8520054311,-0.46047311,0.0002601872,-0.0444442887,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Sc-Sn,9.0,ABC_hP9_189_f_g_bc:Ag-Sc-Sn +mp-1097206,Sc2AgSn,-3.0293225225,1.8474439946,2.3868137826,2.3868137826,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Sc-Sn,4.0,AB2C_oI8_71_a_e_b:Ag-Sc-Sn +mp-1093744,ScAg2Sn,-2.30358449,1.6982037517,2.0437537246,2.0437537246,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Sc-Sn,4.0,A2BC_oI8_71_e_a_b:Ag-Sc-Sn +mp-1095735,Ta2MoPt,-6.1728523275,3.985232345,4.31887588,4.31887588,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Pt-Ta,4.0,ABC2_oI8_71_a_b_e:Mo-Pt-Ta +mp-1184856,HoSnRu2,-7.160587995,-0.3753915438,0.0,-0.0240620904,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Sn +mp-1184914,Li2EuIn,-4.4502474625,-0.2436146467,0.0206451525,0.0206451525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-In-Li,4.0,ABC2_cF16_225_a_b_c:Eu-In-Li +mp-1209661,Pr3ZrSb5,-5.9126848339,-1.07541549,0.0049421056,0.0049421056,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Pr-Sb-Zr,18.0,A3B5C_hP18_193_g_dg_b:Pr-Sb-Zr +mp-1211384,La4CdPt,-5.0047856675,-0.5484437508000001,0.0,-0.003245993,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-La-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-La-Pt +mp-567446,La23Cd4Pt7,-5.3137820921,-0.6162039834,0.0002054794,0.0002054794,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-La-Pt,68.0,"Invalid WP multiplicities - A4B23C7_hP68_186_2a3c_2a2b37c_b5c:Cd-La-Pt, expected La115Cd11Pt16 to be La23Cd4Pt7" +mp-1207422,Zr6Be15Cu8,-5.080511721,-0.2470272343,0.0,-0.034009595,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Cu-Zr,29.0,A15B8C6_cF116_225_adf_f_e:Be-Cu-Zr +mp-866051,HfFe2Sn,-7.9763311925,-0.2496303662,0.0099638288,0.0099638288,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Hf-Sn,4.0,A2BC_cF16_225_c_a_b:Fe-Hf-Sn +mp-1101809,SrCdGe,-2.8890199375,-0.4772162481,0.0,-0.0434477831,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Ge-Sr,12.0,ABC_oP12_62_c_c_c:Cd-Ge-Sr +mp-7881,Sr(CdGe)2,-2.8676457600000003,-0.3113800233,0.0,-0.0137016175,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cd-Ge-Sr,5.0,A2B2C_tI10_139_d_e_a:Cd-Ge-Sr +mp-1096602,Sr2CdGe,-1.1246504925,1.1065756379,1.5912104559,1.5912104559,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ge-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Ge-Sr +mp-1183566,CaTbHg2,-2.34702487,-0.5351931925,0.0,-0.016254735,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Tb,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Tb +mp-865126,NaTlPd2,-3.70208351,-0.190850495,0.0,-0.0142789765,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Pd-Tl,4.0,AB2C_cF16_225_a_c_b:Na-Pd-Tl +mp-977205,NaTl2Pd,-2.9513891025000003,-0.1444657533,0.0066802111,0.0066802111,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pd-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Pd-Tl +mp-1102366,SbRhSe,-5.7703204542,-0.7739135916000001,0.0,-0.107744336,GGA,P2_13,ABC_cP12_198_a_a_a:Rh-Sb-Se,12.0,ABC_cP12_198_a_a_a:Rh-Sb-Se +mp-867130,SmHoMg2,-3.2126563975,-0.0872676212,0.0,-0.000645815,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Sm +mp-1183124,AcEuZn2,-4.4938894375,-0.2694734306,0.0,-0.0366638269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Eu-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-Eu-Zn +mp-1217695,Tb2Mg5Ag,-2.5984309712,-0.0855949146,0.0599424121,0.0599424121,GGA,R-3m,AB5C2_hR24_166_a_b2c_c:Ag-Mg-Tb,8.0,"Invalid WP multiplicities - AB5C2_hR24_166_a_b3c_c:Ag-Mg-Tb, expected Tb2Mg7Ag to be Tb2Mg5Ag" +mp-1205829,TbMgAg,-3.2958815022,-0.2734807844,0.0,-0.0498043314,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Tb,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Tb +mp-12972,Zr6Sb2Pt,-8.0126085589,-0.7220152722000001,0.0,-0.0022872286,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Pt-Sb-Zr,9.0,AB2C6_hP9_189_a_d_fg:Pt-Sb-Zr +mp-1207448,Zr3Sb4Pt3,-6.9126244055,-0.8753737245000001,0.0,-0.059508107,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Pt-Sb-Zr,20.0,A3B4C3_cI40_220_a_c_b:Pt-Sb-Zr +mp-867234,TbMgHg2,-2.1737599775,-0.4632582575,0.0,-0.10977261,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Tb,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Tb +mp-981699,SmZnIn,-3.3601610617,-0.45015657,0.0,-0.013250733,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:In-Sm-Zn,6.0,ABC_hP6_194_c_a_d:In-Sm-Zn +mp-978950,Sm2ZnIn,-3.7595293275,-0.397379425,0.0096225525,0.0096225525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:In-Sm-Zn +mp-1183074,Ac2MgGa,-3.45406927,-0.2363877481,0.0,-0.0216183646,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ga-Mg,4.0,A2BC_cF16_225_c_a_b:Ac-Ga-Mg +mp-1215459,YbAl3Au,-3.724571514,-0.51452796,0.0,-0.0388648061,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Au-Yb,,A3BC_tI10_107_ab_a_a:Al-Au-Yb +mp-12784,YbAlAu,-3.6029518508,-0.7499298142,0.0,-0.0392052586,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Yb,,ABC_oP12_62_c_c_c:Al-Au-Yb +mp-16625,YbAl7Au3,-3.8893114732,-0.4729219195,0.0,-0.0082881032,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Yb,,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Yb, expected YbAl13Au3 to be YbAl7Au3" +mp-1096131,HfScZn2,-2.0922377125,2.6100486262,2.9020123266,2.9020123266,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Sc-Zn,4.0,ABC2_oI8_71_a_b_e:Hf-Sc-Zn +mp-1186567,PmCu2Si,-4.79536051,-0.2017920869,0.0113967906,0.0113967906,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Si,4.0,A2BC_cF16_225_c_a_b:Cu-Pm-Si +mp-865547,Pm2CuSi,-5.1219962625,-0.3655939262,0.0,-0.1462535412,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Cu-Pm-Si +mp-10469,NbSiPt,-7.9737399442,-0.7744878142,0.0,-0.0926302511,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-Pt-Si,12.0,ABC_oP12_62_c_c_c:Nb-Pt-Si +mp-567338,Pr(SiPt)2,-6.575253498,-1.020491807,0.0,-0.0500752388,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Pr-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Pr-Pt-Si +mp-1206158,Pr2(SiPt)3,-5.0385908063,0.4678048887,1.5233748419,1.5233748419,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Pr-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Pr-Pt-Si +mp-1106159,Pr2Si5Pt3,-6.433753952,-0.94357379,0.0,-0.0948810197,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Pr-Pt-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Pr-Pt-Si +mp-1080386,PrSiPt,-6.5398192317,-1.11403353,0.0,-0.1409757478,GGA,I4_1md,ABC_tI12_109_a_a_a:Pr-Pt-Si,6.0,ABC_tI12_109_a_a_a:Pr-Pt-Si +mp-1198014,Pr3Si11Pt23,-6.6603757277,-0.8858545938,0.0,-0.0759360568,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Pr-Pt-Si,74.0,A3B23C11_cF296_225_d_e2fk_e2f:Pr-Pt-Si +mp-1184248,ErTmPd2,-5.788088835,-0.9372593717,0.003042625,0.003042625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Er-Pd-Tm +mp-1215586,Zr2(PdRh)3,-7.5525108075,-0.71151452,0.0348679419,0.0348679419,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Pd-Rh-Zr,8.0,A3B3C2_oP8_47_aj_bgh_k:Pd-Rh-Zr +mp-1186645,PmSmRu2,-7.146250685,-0.1417673006,0.0233870619,0.0233870619,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Ru-Sm,4.0,AB2C_cF16_225_a_c_b:Pm-Ru-Sm +mp-1096750,ZrInRu2,-4.7569281925,2.7051191675,3.0808180925,3.0808180925,GGA,Immm,AB2C_oI8_71_a_e_b:In-Ru-Zr,4.0,AB2C_oI8_71_a_e_b:In-Ru-Zr +mp-998297,CsSrBr3,-3.830314646,-2.3815184829,0.01942967,-0.006940665,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Cs-Sr,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Cs-Sr, expected CsSrBr5 to be CsSrBr3" +mp-1213104,CsSrBr3,-3.849744316,-2.4009481529,0.0,-0.026370335,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Cs-Sr,20.0,A3BC_oP20_62_cd_c_a:Br-Cs-Sr +mp-998433,CsSrBr3,-3.844239462,-2.3954432989,0.005504854,-0.020865481,GGA,Cmcm,A3BC_oC20_63_cf_c_a:Br-Cs-Sr,10.0,A3BC_oC20_63_cf_c_a:Br-Cs-Sr +mp-1183952,Cs3Sr,-0.92241453,0.1715106124,0.1715106124,0.1715106124,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-Sr,8.0,A3B_hP8_194_h_c:Cs-Sr +mp-1184035,CsSr3,-1.325414045,0.165556638,0.165556638,0.165556638,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-Sr,4.0,AB3_tI8_139_a_bd:Cs-Sr +mp-1183994,CsSr3,-1.3172329925,0.1737376905,0.1737376905,0.1737376905,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Sr,4.0,AB3_cP4_221_a_c:Cs-Sr +mp-1184002,CsSr3,-1.3154250375,0.1755456455,0.1755456455,0.1755456455,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Sr,4.0,AB3_cF16_225_a_bc:Cs-Sr +mp-980648,TmThRu2,-8.09070832,-0.4810836317,0.0,-0.0164825919,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Th-Tm,4.0,A2BC_cF16_225_c_a_b:Ru-Th-Tm +mp-1188981,Tm3Sb4Au3,-4.812895577,-0.836379854,0.0,-0.073407885,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Sb-Tm,20.0,A3B4C3_cI40_220_a_c_b:Au-Sb-Tm +mp-1186470,PaInNi2,-6.2481491625,-0.291493725,0.0209745092,0.0209745092,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-Pa,4.0,AB2C_cF16_225_a_c_b:In-Ni-Pa +mp-1187666,YbLuIn2,-3.3148811875,-0.4238996225,0.017822375,0.017822375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Yb,,A2BC_cF16_225_c_a_b:In-Lu-Yb +mp-1097279,Li2PtPb,-2.0553130725,1.3450934583,1.784754385,1.784754385,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Pb-Pt,4.0,A2BC_oI8_71_e_a_b:Li-Pb-Pt +mp-978908,TbTmRh2,-6.863767355,-0.9040630392,0.01266298,0.01266298,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tb-Tm,4.0,A2BC_cF16_225_c_a_b:Rh-Tb-Tm +mp-1196603,Gd2Nb3Ge4,-9.2745101842,-0.7247022931,0.0,-0.083612596,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Gd-Ge-Nb,36.0,A2B4C3_oP36_62_d_2cd_cd:Gd-Ge-Nb +mp-10079,TbAgGe,-4.4482635711,-0.4182802517,0.165119475,0.165119475,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Ge-Tb,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Ag-Ge-Tb, expected Tb3Ag5Ge3 to be TbAgGe" +mp-862321,LiAsPd2,-4.74885618,-0.5169049571000001,0.0,-0.0364640142,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Li-Pd,4.0,ABC2_cF16_225_a_b_c:As-Li-Pd +mp-1096447,CrGeRu2,-5.0987378125,3.1074822888,3.3345739625,3.254463681,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ge-Ru,4.0,ABC2_oI8_71_a_b_e:Cr-Ge-Ru +mp-1206594,CrGeRu2,-8.433311775,-0.2270916737,0.0,-0.0801102815,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ge-Ru,4.0,ABC2_cF16_225_a_b_c:Cr-Ge-Ru +mp-1206261,Sm2Ge6Au,-4.9003160822,-0.4059581489,0.0931582093,0.0931582093,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Sm,9.0,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Sm +mp-1019101,SmGeAu,-5.04159936,-0.83643403,0.0,-0.1029805069,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Sm,6.0,ABC_hP6_186_b_b_a:Au-Ge-Sm +mp-567479,Ho4InIr,-5.5795931608,-0.5929675958,0.0,-0.0329890473,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ho-In-Ir,24.0,"Invalid WP multiplicities - A4BC_cF96_216_4e5f5g_e_e:Ho-In-Ir, expected Ho19InIr to be Ho4InIr" +mp-13525,HoInIr,-6.1004169122,-0.7095746522,0.0,-0.0599805683,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-In-Ir,9.0,ABC_hP9_189_f_g_ad:Ho-In-Ir +mp-1097226,MnPdAu2,-3.6367698325,1.585645443,1.7295066811000002,1.7295066811000002,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mn-Pd,4.0,A2BC_oI8_71_e_a_b:Au-Mn-Pd +mp-1093650,MnPd2Au,-3.746816635,1.952098593,2.1486616175,2.1466610783,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Mn-Pd +mp-1185995,MnPd2Au,-5.8954782525,-0.1965630245,0.0,-0.0020005392,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Mn-Pd +mp-3407,TlCr5Se8,-6.4179511093,-0.8040102294,0.0,-0.0058906964,GGA,C2/m,A5B8C_mC28_12_a2i_4i_d:Cr-Se-Tl,14.0,"Invalid WP multiplicities - A5B8C_mC28_12_a3i_5i_c:Cr-Se-Tl, expected TlCr7Se10 to be TlCr5Se8" +mp-998927,TlCrSe2,-5.2966972725,-0.5448188795000001,0.1622920886,0.1622920886,GGA,R3m,AB2C_hR12_160_a_2a_a:Cr-Se-Tl,4.0,AB2C_hR12_160_a_2a_a:Cr-Se-Tl +mp-1208019,TlCrSe2,-5.40161871,-0.649740317,0.0573706511,0.0573706511,GGA,R-3m,AB2C_hR12_166_a_c_b:Cr-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Cr-Se-Tl +mp-1190043,TlCr3Se5,-6.2136528606,-0.7912814222000001,0.0,-0.0105652344,GGA,C2/m,A3B5C_mC36_12_ac2i_5i_i:Cr-Se-Tl,18.0,A3B5C_mC36_12_ac2i_5i_i:Cr-Se-Tl +mp-1213656,Ho(TlTe2)3,-2.5552917,0.497725667,1.2722696408,1.2722696408,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Ho-Te-Tl,10.0,AB6C3_oC20_65_a_kp_de:Ho-Te-Tl +mp-1007663,HoTlTe2,-4.5644591875,-1.2565432367,0.0,-0.0596946077,GGA,R-3m,AB2C_hR12_166_a_c_b:Ho-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Ho-Te-Tl +mp-865882,Li2SmIn,-3.130163275,-0.3081343754,0.0,-0.04412688,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Sm,4.0,AB2C_cF16_225_a_c_b:In-Li-Sm +mp-1185481,LiSmIn2,-3.4207108675,-0.3879917521,0.0296452838,0.0296452838,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Sm,4.0,A2BC_cF16_225_c_a_b:In-Li-Sm +mp-1095449,HfGeMo,-9.0214736567,-0.5461846583000001,0.0,-0.0831367337,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Hf-Mo,12.0,ABC_oP12_62_c_c_c:Ge-Hf-Mo +mp-1193359,Hf9GeMo4,-10.0455322086,-0.2155086682,0.0,-0.0011678789,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Ge-Hf-Mo,28.0,AB9C4_hP28_194_c_hk_ah:Ge-Hf-Mo +mp-1224353,Hf3GeMo8,-10.1004363792,0.0045466063,0.2269971258,0.2269971258,GGA,P3m1,AB3C8_hP12_156_a_a2b_2c2d:Ge-Hf-Mo,12.0,AB3C8_hP12_156_a_a2b_2c2d:Ge-Hf-Mo +mp-1224560,Hf8GeMo5,-10.0245920589,-0.1311070129,0.1024593677,0.1024593677,GGA,Amm2,AB8C5_oC56_38_ab_ab2cd2f_abcd2e:Ge-Hf-Mo,28.0,"Invalid WP multiplicities - AB8C5_oC56_38_ab_ab4cd4f_abcd2e:Ge-Hf-Mo, expected Hf14GeMo5 to be Hf8GeMo5" +mp-1224404,GeMoAs,-6.8824205817,-0.173155125,0.0361770246,0.0361770246,GGA,C2/m,ABC_mC12_12_i_i_i:As-Ge-Mo,6.0,ABC_mC12_12_i_i_i:As-Ge-Mo +mp-675376,HoAgSe2,-5.001049775,-1.3993528178,0.0398680538,0.0361166556,GGA,Cm,ABC2_mC16_8_2a_2a_4a:Ag-Ho-Se,8.0,ABC2_aP8_1_2a_2a_4a:Ag-Ho-Se +mp-12955,HoAgSe2,-5.0409178287,-1.4392208716,0.0,-0.0037513981,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Ag-Ho-Se,16.0,ABC2_oP16_19_a_a_2a:Ag-Ho-Se +mp-1392664,HoAgSe2,-5.0007114113,-1.3990144541,0.0402064175,0.0364550194,GGA,Ima2,ABC2_oI16_46_b_b_2b:Ag-Ho-Se,8.0,ABC2_mC16_8_2a_2a_4a:Ag-Ho-Se +mp-1079429,HoAgSe2,-5.0063883225,-1.4046913653,0.0345295063,0.0307781081,GGA,I4_1md,ABC2_tI16_109_a_a_2a:Ag-Ho-Se,8.0,ABC2_tI16_109_a_a_2a:Ag-Ho-Se +mp-1223795,HoAgSe2,-4.9336492750000005,-1.3319523178,0.1072685538,0.1035171556,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Ho-Se,4.0,ABC2_tP4_123_a_d_bc:Ag-Ho-Se +mp-936760,HoAgSe2,-5.0005937175,-1.3988967603,0.0403241112,0.0365727131,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Ho-Se,8.0,ABC2_tI16_141_a_b_e:Ag-Ho-Se +mp-1205937,PrMgTl,-3.2710255978,-0.3564159472,0.0,-0.0850141783,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Pr-Tl,9.0,ABC_hP9_189_f_g_bc:Mg-Pr-Tl +mp-975914,PrMgTl2,-3.0320699175,-0.2554518929,0.0497131496,0.0497131496,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Pr-Tl +mp-861505,Pr2MgTl,-3.6423391325,-0.2611554558,0.0075645613,0.0075645613,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pr-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Pr-Tl +mp-1218994,Sn(TePd3)2,-5.0227253222,-0.4254503776,0.0618016342,0.0618016342,GGA,I4mm,A6BC2_tI18_107_2a2b_a_2a:Pd-Sn-Te,9.0,A6BC2_tI18_107_2a2b_a_2a:Pd-Sn-Te +mp-567945,SnTePd,-4.5537810354,-0.4428611826,0.1091721729,0.1091721729,GGA,Pbca,ABC_oP24_61_c_c_c:Pd-Sn-Te,24.0,ABC_oP24_61_c_c_c:Pd-Sn-Te +mp-1225042,Ga3Te9Pd32,-4.9695968311000005,-0.3530000351,0.0221202309,0.0221202309,GGA,R3,A3B32C9_hR132_146_3a_8a8b_3a2b:Ga-Pd-Te,44.0,A3B32C9_hR132_146_3a_8a8b_3a2b:Ga-Pd-Te +mp-662752,NbBr5,-1.1704068092,1.8073343058,3.1954458131,2.9685475292000003,GGA,P-1,A5B_aP12_2_5i_i:Br-Nb,12.0,"Invalid WP multiplicities - A5B_aP12_2_8i_i:Br-Nb, expected NbBr8 to be NbBr5" +mp-568245,NbBr5,-4.3631604825,-1.3854193675,0.0026921398,-0.2242061442,GGA,P-1,A5B_aP12_2_5i_i:Br-Nb,12.0,"Invalid WP multiplicities - A5B_aP12_2_8i_i:Br-Nb, expected NbBr8 to be NbBr5" +mp-28601,NbBr5,-4.3658526223,-1.3881115073,0.0,-0.226898284,GGA,Pnma,A5B_oP48_62_2c4d_d:Br-Nb,48.0,A5B_oP48_62_2c4d_d:Br-Nb +mp-655086,Nb2Br5,-5.1159128243,-1.12051972,0.2334938947,0.2334938947,GGA,Cmcm,A5B2_oC28_63_c2g_e:Br-Nb,14.0,"Invalid WP multiplicities - A5B2_oC28_63_c6g_e:Br-Nb, expected Nb2Br13 to be Nb2Br5" +mp-568616,Nb2Br5,-5.2688381686,-1.2734450643,0.0805685504,0.0805685504,GGA,Cmcm,A5B2_oC28_63_c2g_e:Br-Nb,14.0,"Invalid WP multiplicities - A5B2_oC28_63_c6g_e:Br-Nb, expected Nb2Br13 to be Nb2Br5" +mp-1080428,NbBr4,-4.65613954,-1.393455868,0.0,-0.0083236206,GGA,C2/m,A4B_mC20_12_2ij_g:Br-Nb,10.0,A4B_mC20_12_2ij_g:Br-Nb +mp-1105368,NbAlBr8,-4.1020786975,-1.4749679465,0.0,-0.0097054659,GGA,Cmcm,AB8C_oC40_63_c_2f2g_c:Al-Br-Nb,20.0,AB8C_oC40_63_c_2f2g_c:Al-Br-Nb +mp-27771,Nb3Br8,-5.2630085677,-1.3786320441,0.0,-0.0870035247,GGA,R-3m,A8B3_hR66_166_2c2h_h:Br-Nb,22.0,"Invalid WP multiplicities - A8B3_hR66_166_2c3h_h:Br-Nb, expected Nb3Br11 to be Nb3Br8" +mp-1189981,Zr5ZnSn3,-6.8085877511,-0.583369715,0.0,-0.0535838039,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Sn-Zn-Zr,18.0,A3BC5_hP18_193_g_b_dg:Sn-Zn-Zr +mp-16524,ScAlPd2,-6.0598534575,-0.9504013187,0.0,-0.039505195,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Pd-Sc +mp-1194261,Sc6Al16Pd7,-5.3589168641,-0.7319099476,0.0,-0.0338012907,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Sc +mp-1096101,Sc2AlPd,-3.39757142,2.0000275425,2.6772871825,2.6772871825,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Pd-Sc +mp-1226791,CaAl3Au,-3.794747028,-0.491505154,0.0,-0.050412785,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Au-Ca,5.0,A3BC_tI10_107_ab_a_a:Al-Au-Ca +mp-568424,CaAlAu,-3.702230875,-0.693878305,0.0,-0.060551895,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Ca,12.0,ABC_oP12_62_c_c_c:Al-Au-Ca +mp-865591,Ti2NiMo,-8.389727125,-0.2855344192,0.0,-0.0318106438,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Ni-Ti,4.0,ABC2_cF16_225_a_b_c:Mo-Ni-Ti +mp-867776,LiDy2Os,-5.8274409525,-0.2399749583,0.0,-0.0396723507,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Os,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Os +mp-32644,Pr5Cl12,-5.2175246786,-2.5065265201,0.0893502152,0.0893502152,GGA,P-3,A12B5_hP51_147_6g_ac6d:Cl-Pr,51.0,"Invalid WP multiplicities - A12B5_hP51_147_36g_a2c12d:Cl-Pr, expected Pr29Cl216 to be Pr5Cl12" +mp-1219679,PrBrCl2,-5.1323306313,-2.62457878,0.0050993125,0.0050993125,GGA,Pm,AB2C_mP8_6_2a_a3b_ab:Br-Cl-Pr,8.0,AB2C_mP8_6_2a_a3b_ab:Br-Cl-Pr +mp-975601,Pr3Cl,-4.342226015,-0.2944125338,0.6249604767,0.6249604767,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-Pr,8.0,AB3_hP8_194_c_h:Cl-Pr +mp-23211,PrCl3,-5.339747965,-2.7581190312,0.0,-0.6275714892,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Pr,8.0,A3B_hP8_176_h_c:Cl-Pr +mp-1185601,LaPmGa2,-4.4976583825,-0.5619730144,0.0,-0.0315929108,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-La-Pm,4.0,A2BC_cF16_225_c_a_b:Ga-La-Pm +mp-1096611,ZrScPd2,-4.2330430575,2.0769402812,2.8568060513,2.8568060513,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Pd-Sc-Zr +mp-1095710,ZrScRh2,-5.2328184075,2.1693779612,3.0834941362,3.0834941362,GGA,Immm,A2BC_oI8_71_e_a_b:Rh-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Rh-Sc-Zr +mp-1185385,LiLuTl2,-3.072653395,-0.283863475,0.0,-0.0408339325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Lu-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Lu-Tl +mp-1187437,ThCdCu2,-4.283796255,-0.1500059175,0.018498368,0.018498368,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Cu-Th,4.0,AB2C_cF16_225_a_c_b:Cd-Cu-Th +mp-1097509,ZrScCd2,-1.781491645,2.3999956687,2.6065319581,2.6065319581,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Cd-Sc-Zr +mp-1183783,DyErRu2,-7.2862510025,-0.35542332,0.0078216921,0.0078216921,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Er-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Er-Ru +mp-1096509,Sc2TcRh,-5.1651680625,2.4323031938,3.0697217622,3.0697217622,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Sc-Tc,4.0,AB2C_oI8_71_a_e_b:Rh-Sc-Tc +mp-1187411,TbEuRh2,-7.9694658975,-0.5644699875,0.0651624836,0.0651624836,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Eu-Rh-Tb +mp-1093719,MgBe2Pt,-2.03292058,1.7546391950000002,2.3152638903,2.3152638903,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Mg-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Mg-Pt +mp-1096574,MgBePt2,-2.689100395,1.6813894937,2.2644748783,2.2644748783,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Mg-Pt +mp-1008858,NdBiPd,-5.55877303,-0.9626002392,0.0,-0.1579437954,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Nd-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Nd-Pd +mp-862365,Sc2OsPd,-7.9610664625,-0.6930196,0.0,-0.0510367411,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Os-Pd-Sc +mp-13674,NaGeAu3,-3.3985613332,-0.2451215036,0.0,-0.0153740412,GGA,Pa-3,A3BC_cP40_205_d_c_c:Au-Ge-Na,40.0,A3BC_cP40_205_d_c_c:Au-Ge-Na +mp-1222058,Na26Ge14Au41,-3.2009068809,-0.3202005895,0.017031284,0.017031284,GGA,Immm,A41B14C26_oI162_71_bfglmn3o_ilmn_fgilmno:Au-Ge-Na,81.0,"Invalid WP multiplicities - A41B14C26_oI162_71_bfglmn6o_ilmn_fgilmno:Au-Ge-Na, expected Na26Ge14Au65 to be Na26Ge14Au41" +mp-1222153,Na26(Ge3Au8)5,-3.2150132696,-0.3176508566,0.0167175059,0.0167175059,GGA,Imm2,A40B15C26_oI162_44_ab2c3d7e_a3c2de_2a3c3d3e:Au-Ge-Na,81.0,"Invalid WP multiplicities - A40B15C26_oI162_44_ab4c4d19e_a3c5de_2a4c5d8e:Au-Ge-Na, expected Na52Ge21Au94 to be Na26(Ge3Au8)5" +mp-9249,NaGeAu,-3.3787426883,-0.3055976389,0.0,-0.0550910256,GGA,Imm2,ABC_oI12_44_c_c_ab:Au-Ge-Na,6.0,ABC_oI12_44_c_c_ab:Au-Ge-Na +mp-974415,Re3Pb,-9.2694208525,0.9921363038,0.9921363038,0.9921363038,GGA,Fm-3m,AB3_cF16_225_a_bc:Pb-Re,4.0,AB3_cF16_225_a_bc:Pb-Re +mp-974611,RePb3,-4.868781935,1.0268351637,1.0268351637,1.0268351637,GGA,Fm-3m,A3B_cF16_225_ac_b:Pb-Re,4.0,A3B_cF16_225_ac_b:Pb-Re +mp-1209672,Re3(PbSe3)2,-6.5353796973,-0.5595301917000001,0.11972006,0.11972006,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Pb-Re-Se,44.0,A2B3C6_mC88_15_2ef_3f_6f:Pb-Re-Se +mp-1220002,Re3PbSe6,-6.8805157887,-0.6783460397000001,0.0166308536,0.0166308536,GGA,Cc,AB3C6_mC80_9_2a_6a_12a:Pb-Re-Se,40.0,"Invalid WP multiplicities - AB3C6_mC80_9_2a_9a_18a:Pb-Re-Se, expected Re9(PbSe9)2 to be Re3PbSe6" +mp-505222,CdInBr3,-2.827530226,-1.16079853,0.008099311,0.008099311,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cd-In,20.0,A3BC_oP20_62_3c_c_c:Br-Cd-In +mp-1219380,Sc4Co3Sb4,-6.4981772164,-0.7553740559000001,0.0,-0.0056500323,GGA,Pm,A3B4C4_mP11_6_2ab_2a2b_2a2b:Co-Sb-Sc,11.0,A3B4C4_mP11_6_2ab_2a2b_2a2b:Co-Sb-Sc +mp-1022471,Mg6ZrNi,-2.9458212975,0.0453684037,0.1742675489,0.1742675489,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-Zr, expected Mg12ZrNi to be Mg6ZrNi" +mp-1022509,Mg6ZrNi,-2.91707378,0.0741159212,0.2030150664,0.2030150664,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Zr, expected Mg12ZrNi to be Mg6ZrNi" +mp-1185624,MgZrNi2,-5.76656401,-0.3395005,0.0109486376,0.0109486376,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ni-Zr,4.0,AB2C_cF16_225_a_c_b:Mg-Ni-Zr +mp-1028056,Mg14ZrNi,-2.2643076938,0.0314271819,0.1058538996,0.1058538996,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Zr, expected Mg18ZrNi to be Mg14ZrNi" +mp-1027925,Mg14ZrNi,-2.2494317044,0.0463031712,0.120729889,0.120729889,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Zr, expected Mg26ZrNi to be Mg14ZrNi" +mp-1225985,Er5(Sn3Rh)6,-5.3337422945,-0.5338548924000001,0.0035110409,0.0035110409,GGA,F-43m,A5B6C18_cF116_216_ce_g_abeh:Er-Rh-Sn,29.0,A5B6C18_cF116_216_ce_g_abeh:Er-Rh-Sn +mp-862931,ErSnRh2,-6.6518006675,-0.8253240662,0.0,-0.0853794834,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Sn +mp-31298,ErSnRh,-6.2196011767,-0.9057349983,0.0,-0.1265143082,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Er-Rh-Sn +mp-1104106,Ho3Ga9Pt2,-4.4575812893,-0.6616986141,0.0259524426,0.0259524426,GGA,Immm,A9B3C2_oI28_71_b2n_ag_f:Ga-Ho-Pt,14.0,A9B3C2_oI28_71_b2n_ag_f:Ga-Ho-Pt +mp-1102757,HoGaPt,-5.6641287333,-1.1035826625,0.0,-0.1397948201,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ho-Pt,12.0,ABC_oP12_62_c_c_c:Ga-Ho-Pt +mp-1212255,Ho4Ga12Pt,-4.1922353871,-0.6194165006,0.0,-0.0321227183,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Ho-Pt,17.0,A12B4C_cI34_229_de_c_a:Ga-Ho-Pt +mp-1096692,Sr2ZnGa,-0.706913495,1.2097931398,1.5234474172,1.5234474172,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Sr-Zn +mp-1187111,Sr2ZnGa,-2.2062199275,-0.2895132927,0.0241409847,0.0241409847,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Sr-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Sr-Zn +mp-863703,Pm2MgSn,-4.216036705,-0.4383025675,0.0,-0.0974652379,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Mg-Pm-Sn +mp-1227226,CaErAl4,-3.9861967267,-0.3935930583,0.0262393833,0.0262393833,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-Er,6.0,A4BC_cF24_216_e_a_c:Al-Ca-Er +mp-862838,PmAlCu2,-4.4664946725,-0.2928617994,0.0,-0.0605062117,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Pm,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Pm +mp-1223236,La4CeZn5,-3.487634001,-0.2900504385,0.0119468845,0.0119468845,GGA,P4/mmm,AB4C5_tP10_123_a_2g_d2h:Ce-La-Zn,10.0,"Invalid WP multiplicities - AB4C5_tP10_123_a_3g_d4h:Ce-La-Zn, expected La6CeZn9 to be La4CeZn5" +mp-1185219,LaCeZn2,-3.5887285175,-0.2415826475,0.0396887638,0.0396887638,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-La-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-La-Zn +mp-1093766,Ca2ZnIn,-0.763875335,1.24178144,1.6100123216000002,1.6100123216000002,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-In-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-In-Zn +mp-1183608,Ca2ZnIn,-2.363423715,-0.35776694,0.0104639416,0.0104639416,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-In-Zn +mp-15208,Nb4GaSe8,-6.5868700862,-1.0945156243,0.0050422237,0.0050422237,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Ga-Nb-Se,13.0,"Invalid WP multiplicities - AB4C8_cF52_216_a_e_3e:Ga-Nb-Se, expected Nb4GaSe12 to be Nb4GaSe8" +mp-1104954,Ho(Al2Cu)4,-4.2214924,-0.3027353085,0.0,-0.0169744892,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Ho,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Ho +mp-1078489,HoAlCu,-4.59972018,-0.4573230567,0.0,-0.0613460043,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Ho,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Ho +mp-1193845,Ho6Al7Cu16,-4.4876171131,-0.3737967424,0.0,-0.0399202529,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Ho,29.0,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Ho +mp-1224046,Ho(AlCu)6,-4.3230815631,-0.3499197269,0.0,-0.0554251513,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Ho,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Ho +mp-1223972,HoAlCu4,-4.3717973517,-0.250995455,0.0430497565,0.0430497565,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Ho,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Ho +mp-1224113,HoAl3Cu,-4.410639862,-0.426971256,0.0,-0.008673151,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-Ho,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-Ho +mp-1184328,EuMgZn2,-3.836179915,-0.2419876475,0.0,-0.0027362853,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Eu-Mg-Zn +mp-567679,TiGaRh,-6.26350651,-0.1675412069,0.5522633250000001,0.5522633250000001,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Rh-Ti,3.0,ABC_cF12_216_c_a_b:Ga-Rh-Ti +mp-1193834,Ti6Ga16Rh7,-5.6293145852,-0.5474992903,0.0434400308,0.0434400308,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Ti +mp-866157,TiGaRh2,-7.256939885,-0.8438889402,0.0,-0.1332230999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Ti +mp-1188596,Er2Si5Ni3,-6.106196156,-0.745952375,0.0083336645,0.0083336645,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Er-Ni-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Er-Ni-Si +mp-12382,ErSi2Ni,-6.1241095225,-0.8244866350000001,0.0,-0.07135996,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Er-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Er-Ni-Si +mp-1204590,ErSi3Ni5,-6.2240318236,-0.6968811236,0.0,-0.0390556574,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Er-Ni-Si,36.0,AB5C3_oP36_62_c_5c_3c:Er-Ni-Si +mp-1225662,Er4SiNi3,-5.6927069425,-0.5631315287,0.0063556374,0.0063556374,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:Er-Ni-Si,8.0,A4B3C_oP8_25_abcd_abc_d:Er-Ni-Si +mp-1213005,ErSiNi,-6.0679655158,-0.8102410092000001,0.0,-0.0494084548,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ni-Si,12.0,ABC_oP12_62_c_c_c:Er-Ni-Si +mp-21548,Er(SiNi5)2,-6.0790454792,-0.4467591969,0.0,-0.02903458,GGA,P4/nmm,AB10C2_tP26_129_c_d2i_e:Er-Ni-Si,26.0,"Invalid WP multiplicities - AB10C2_tP26_129_c_2d4i_e:Er-Ni-Si, expected Er(SiNi10)2 to be Er(SiNi5)2" +mp-12386,ErSi3Ni,-5.964020074,-0.6392581580000001,0.02033115,0.02033115,GGA,Cmmm,ABC3_oC20_65_g_h_g2h:Er-Ni-Si,10.0,ABC3_oC20_65_g_h_g2h:Er-Ni-Si +mp-569818,Er3Si3Ni,-5.9080244414,-0.7995605557000001,0.0,-0.0014583089,GGA,C2/m,A3BC3_mC28_12_3i_i_3i:Er-Ni-Si,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_6i_i_5i:Er-Ni-Si, expected Er6Si5Ni to be Er3Si3Ni" +mp-1192164,Er3(SiNi3)2,-6.0665408227,-0.6815760436,0.0,-0.0438222955,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Er-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Er-Ni-Si +mp-1225459,ErSiNi3,-6.080526042,-0.6138366660000001,0.0147416815,0.0147416815,GGA,I4mm,AB3C_tI10_107_a_ab_a:Er-Ni-Si,5.0,AB3C_tI10_107_a_ab_a:Er-Ni-Si +mp-4881,Er(SiNi)2,-6.22248412,-0.826758474,0.0,-0.061831163,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Ni-Si +mp-1225562,Er2Si3Ni,-5.8716272367,-0.6730391717,0.1396179767,0.1396179767,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Er-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Er-Ni-Si +mp-1096580,Be2OsAu,-2.9163930175,2.5786257725,2.7497632527,2.7497632527,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Os,4.0,AB2C_oI8_71_a_e_b:Au-Be-Os +mp-1213895,Ce3NbSb5,-6.3295850489,-0.9356318594,0.0,-0.0330449306,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Ce-Nb-Sb,18.0,A3BC5_hP18_193_g_b_dg:Ce-Nb-Sb +mp-1219917,PdRhPb4,-4.6980875517000005,-0.132291225,0.0053815683,0.0053815683,GGA,I422,A4BC_tI12_97_j_a_b:Pb-Pd-Rh,6.0,A4BC_tI12_97_j_a_b:Pb-Pd-Rh +mp-862977,Pm2AgIr,-5.7810520875,-0.4880333804,0.0,-0.4202681315,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Pm +mp-867837,BeCrRu2,-8.128221595,-0.1429052412,0.0,-0.0183724112,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Cr-Ru,4.0,ABC2_cF16_225_a_b_c:Be-Cr-Ru +mp-1095773,La2RuAu,-4.24441561,1.3606590775,1.8731501977,1.8731501977,GGA,Immm,AB2C_oI8_71_a_e_b:Au-La-Ru,4.0,AB2C_oI8_71_a_e_b:Au-La-Ru +mp-1185018,La2RuAu,-6.0561827525,-0.451108065,0.0613830552,0.0613830552,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-La-Ru,4.0,AB2C_cF16_225_a_c_b:Au-La-Ru +mp-1207047,Tm2AgSb3,-1.8070383167,2.2215001117,2.9973803294,2.9973803294,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-Sb-Tm,6.0,AB3C2_tP6_123_a_bg_g:Ag-Sb-Tm +mp-979042,Tm2BeOs,-6.12665282,-0.1470400346,0.1573963127,0.1573963127,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Be-Os-Tm +mp-1184615,Hf2CuRh,-8.325741455,-0.481268305,0.0339261137,0.0339261137,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Hf-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Hf-Rh +mp-1097186,HfCuRh2,-4.895719945,2.300532915,2.9447915956,2.9447915956,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Hf-Rh,4.0,ABC2_oI8_71_a_b_e:Cu-Hf-Rh +mp-1209785,Pr3PtBr3,-5.3343149036,-1.7524669643,0.0,-0.0448795673,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-Pr-Pt,28.0,A3B3C_cI56_214_h_g_a:Br-Pr-Pt +mp-977565,NdBiAu2,-4.412880235,-0.6237800944,0.0426118064,0.0426118064,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Nd +mp-1105400,Nd3Bi4Au3,-4.697218178,-0.7484136963,0.0,-0.0841074025,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Bi-Nd,20.0,A3B4C3_cI40_220_a_c_b:Au-Bi-Nd +mp-1079862,SrTl2Pd,-3.338478215,-0.4398128258,0.0,-0.0702104792,GGA,Cmcm,ABC2_oC16_63_c_c_f:Pd-Sr-Tl,8.0,ABC2_oC16_63_c_c_f:Pd-Sr-Tl +mp-1225311,DyBeCu4,-4.2783200333,-0.1544823025,0.0437044738,0.0437044738,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Dy,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Dy +mp-31189,DyBe13,-3.9875424129,-0.1861742639,0.0,-0.1861742639,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Dy,28.0,A13B_cF112_226_bi_a:Be-Dy +mp-1077443,NdScSb,-6.0050500433,-0.9285107842,0.0,-0.0358281833,GGA,I4/mmm,ABC_tI12_139_e_e_c:Nd-Sb-Sc,6.0,ABC_tI12_139_e_e_c:Nd-Sb-Sc +mp-1218620,SrCdPb,-2.5166241183,-0.4082806906,0.0,-0.0245481627,GGA,C2/m,ABC_mC12_12_i_i_i:Cd-Pb-Sr,6.0,ABC_mC12_12_i_i_i:Cd-Pb-Sr +mp-862721,Sr2CdPb,-2.49829187,-0.4946609358,0.0,-0.0259817462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pb-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-Pb-Sr +mp-867880,La2TlCd,-3.6688056475,-0.3794188683,0.0,-0.0059629625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-La-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-La-Tl +mp-1018753,LaTlCd,-3.104423245,-0.3639099078,0.0180781348,0.0180781348,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cd-La-Tl,6.0,ABC_hP6_194_c_a_d:Cd-La-Tl +mp-1183885,Eu2CdGe,-7.0247527125,-0.5097724088,0.0267557903,0.0267557903,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Ge,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Ge +mp-1102923,EuCdGe,-5.7873967808,-0.5197569758,0.0,-0.0333013549,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Eu-Ge,12.0,ABC_oP12_62_c_c_c:Cd-Eu-Ge +mp-1102693,ZrGeMo,-8.597468345,-0.5920088133,0.0,-0.0452480522,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mo-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Mo-Zr +mp-1215625,Zr3GeMo8,-9.7603255808,-0.0077146954,0.2168791907,0.2168791907,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Ge-Mo-Zr,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Ge-Mo-Zr, expected Zr3GeMo20 to be Zr3GeMo8" +mp-1205968,Tb2Ge6Au,-4.86032604,-0.38468367,0.1082650083,0.1082650083,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Tb,9.0,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Tb +mp-1019278,TbGeAu,-5.0124882283,-0.8353962433000001,0.0,-0.0843316875,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Tb,6.0,ABC_hP6_186_b_b_a:Au-Ge-Tb +mp-972601,SmLuMg2,-3.1849536525,-0.0749294637,0.0026493188,0.0026493188,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Sm +mp-16313,TbSbPt,-6.2244971633,-1.27966361,0.0,-0.2460989475,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sb-Tb,3.0,ABC_cF12_216_c_a_b:Pt-Sb-Tb +mp-1208407,Tb5SbPt2,-5.9110056612,-0.9806183637,0.0276344592,0.0276344592,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pt-Sb-Tb,16.0,A2BC5_tI32_140_h_a_cl:Pt-Sb-Tb +mp-1217382,ThFe4Co,-8.15175598,-0.0847124992,0.034312785,0.034312785,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Co-Fe-Th,6.0,AB4C_hP6_187_a_ck_e:Co-Fe-Th +mp-1217368,ThFe3Co2,-7.9073566,-0.0672636883,0.0836871783,0.0836871783,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Co-Fe-Th,6.0,A2B3C_hP6_191_c_g_a:Co-Fe-Th +mp-1217307,ThFeCo4,-7.5170907783,-0.130899005,0.0280919513,0.0280919513,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Fe-Th,6.0,A4BC_hP6_187_ak_c_e:Co-Fe-Th +mp-1217405,ThFe2Co3,-7.7343997217,-0.1212573792,0.0430502967,0.0430502967,GGA,Cmmm,A3B2C_oC12_65_ah_e_c:Co-Fe-Th,6.0,A3B2C_oC12_65_ah_e_c:Co-Fe-Th +mp-1217540,Th2(FeCo)5,-7.8317831025,-0.1051654754,0.0546200817,0.0546200817,GGA,Pmm2,A5B5C2_oP12_25_a2f_c2e_bd:Co-Fe-Th,12.0,"Invalid WP multiplicities - A5B5C2_oP12_25_a3f_c3e_bd:Co-Fe-Th, expected Th2(FeCo)7 to be Th2(FeCo)5" +mp-861660,LiNdHg2,-2.2781635475,-0.4570557902,0.0,-0.0323939775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Nd,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Nd +mp-977413,HoCdHg2,-1.884515325,-0.356350485,0.0,-0.0426812467,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Ho,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Ho +mp-1184627,Ho2CdHg,-2.9891358525,-0.3912888862,0.0108354525,0.0108354525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Ho,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Ho +mp-1206630,Ho2Ge6Pt,-5.2996577478,-0.5247557267,0.0606305505,0.0606305505,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Pt,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Pt +mp-1103105,HoGePt,-6.22360229,-1.131412275,0.0,-0.13008953,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Pt,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Pt +mp-570397,Ho2(GePt3)3,-6.3285970979,-0.7804470132,0.0059599571,0.0059599571,GGA,C2/c,A3B2C9_mC56_15_cf_f_e4f:Ge-Ho-Pt,28.0,"Invalid WP multiplicities - A3B2C9_mC56_15_2c2f_f_2e15f:Ge-Ho-Pt, expected HoGe3Pt16 to be Ho2(GePt3)3" +mp-580192,HoGe2Pt,-5.8289368419,-0.8540373669,0.0,-0.0054781606,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Ho-Pt,16.0,"Invalid WP multiplicities - A2BC_oI32_71_2e2f2m_e2i_m:Ge-Ho-Pt, expected Ho3(Ge4Pt)2 to be HoGe2Pt" +mp-1095498,Ba2Ni5Ge4,-5.1072009227,-0.4498604955,0.0,-0.0446708149,GGA,C2/m,A2B4C5_mC22_12_i_2i_a2i:Ba-Ge-Ni,11.0,A2B4C5_mC22_12_i_2i_a2i:Ba-Ge-Ni +mp-30169,Ba4Ni3Ge20,-4.6362846257,-0.2852895554,0.0181517934,0.0181517934,GGA,Pm-3n,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Ni,54.0,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Ni +mp-1208145,Tm(Al5Re)2,-5.4869764992,-0.3469266459,0.0,-0.0152579941,GGA,Cmcm,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Tm,78.0,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Tm +mp-568685,TmAlRh,-6.144770765,-0.9495310572,0.0,-0.0808207611,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Rh-Tm,12.0,ABC_oP12_62_c_c_c:Al-Rh-Tm +mp-1208005,Tm2(Al3Rh)3,-5.4451171325,-0.8197759235000001,0.0,-0.0996619219,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Tm +mp-973646,Lu2ZnHg,-3.052051545,-0.4007202912,0.015791225,0.015791225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Lu-Zn +mp-1097181,ZrScZn2,-1.90314034,2.4467738987,2.78115177,2.78115177,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Sc-Zn-Zr +mp-504740,Eu(Al4Fe)2,-5.5689170739,-0.3724033593,0.0,-0.0273051929,GGA,Pbam,A8BC2_oP44_55_ad2g5h_g_2g:Al-Eu-Fe,44.0,A8BC2_oP44_55_ad2g5h_g_2g:Al-Eu-Fe +mp-569200,Eu(Al2Fe)4,-6.0588089992,-0.3586787469,0.0,-0.0054187659,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Eu-Fe,13.0,"Invalid WP multiplicities - A8BC4_tI26_139_3i2j_a_f:Al-Eu-Fe, expected Eu(Al5Fe)4 to be Eu(Al2Fe)4" +mp-1080033,SiNiPd,-6.0607606378,-0.5989817978,0.0,-0.0030831199,GGA,P-62m,ABC_hP9_189_f_g_bc:Ni-Pd-Si,9.0,ABC_hP9_189_f_g_bc:Ni-Pd-Si +mp-1219266,Si2NiPd,-5.9249483538,-0.4722847163,0.0257773784,0.0257773784,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Ni-Pd-Si,8.0,ABC2_oP8_26_a_b_ab:Ni-Pd-Si +mp-867265,LiTm2Os,-5.81791929,-0.2959290042,0.0,-0.0535723335,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Li-Os-Tm +mp-1095550,HoAsPt,-6.29937967,-1.1951594717,0.0,-0.0077314611,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Ho-Pt,12.0,ABC_hP12_194_f_ab_f:As-Ho-Pt +mp-1187378,TbYbPd2,-5.0146072925,-0.8811727925,0.0071355575,0.0071355575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Tb-Yb,,A2BC_cF16_225_c_a_b:Pd-Tb-Yb +mp-983429,PmDyRu2,-7.1958079725,-0.2192744119,0.02560088,0.02560088,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pm-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Pm-Ru +mp-1222924,LaCeOs4,-9.44113367,-0.1447060067,0.0129384828,0.0129384828,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-La-Os,6.0,ABC4_cF24_216_a_c_e:Ce-La-Os +mp-1093544,TaMnOs2,-6.8197407975,4.048891148,4.209477607,4.209477607,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Os-Ta,4.0,AB2C_oI8_71_a_e_b:Mn-Os-Ta +mp-864761,Ta2MnOs,-11.306137835,-0.2799033395,0.0095287841,0.0095287841,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Os-Ta,4.0,ABC2_cF16_225_a_b_c:Mn-Os-Ta +mp-1096486,Ta2TcRu,-6.7817676175,4.0558815688,4.468617295,4.464490005,GGA,Immm,AB2C_oI8_71_a_e_b:Ru-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Ru-Ta-Tc +mp-1187200,Ta2TcRu,-11.2503849125,-0.4127357262,0.0,-0.00412729,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Ta-Tc,4.0,AB2C_cF16_225_a_c_b:Ru-Ta-Tc +mp-980669,TmLuCo2,-6.05527155,-0.2519161667,0.0,-0.0016709228,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Co-Lu-Tm +mp-1096314,La2AgPb,-2.400134045,1.7041702758,2.1871607537,2.1871607537,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-La-Pb,4.0,AB2C_oI8_71_a_e_b:Ag-La-Pb +mp-1106117,La5AgPb3,-4.8374120722,-0.5429084346,0.0008291061,0.0008291061,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Ag-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Ag-La-Pb +mp-1223038,LaAgPb,-4.105208075,-0.2781380156,0.22461254,0.1194175298,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-La-Pb,6.0,ABC_mC12_12_i_i_i:Ag-La-Pb +mp-13406,LaAgPb,-4.329820615,-0.5027505556,0.0,-0.1051950102,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-La-Pb,6.0,ABC_hP6_186_b_a_b:Ag-La-Pb +mp-1095938,BeNbOs2,-5.2599241925,3.8139389988,3.9939170475,3.9939170475,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Nb-Os,4.0,ABC2_oI8_71_a_b_e:Be-Nb-Os +mp-864890,Hf2FeIr,-9.9766957125,-0.67098735,0.0,-0.0106435185,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Hf-Ir,4.0,AB2C_cF16_225_a_c_b:Fe-Hf-Ir +mp-1210653,Lu4CdIr,-5.1937655221,-0.5529111854000001,0.0,-0.0136797971,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Lu,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Lu +mp-1206726,Tb2AgSb3,-1.9039765983,2.1774053889,3.0334987653,3.0334987653,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-Sb-Tb,6.0,AB3C2_tP6_123_a_bg_g:Ag-Sb-Tb +mp-1097135,Ca2TlIn,-1.0101664675,1.2712151917,1.734615565,1.72869049,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-In-Tl,4.0,A2BC_oI8_71_e_a_b:Ca-In-Tl +mp-1227698,Ca2TlIn,-2.7447820325,-0.4634003733,0.0,-0.005925075,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ca-In-Tl,4.0,A2BC_tP4_123_h_a_b:Ca-In-Tl +mp-1183531,Ca2TlIn,-2.730775895,-0.4493942358,0.0140061375,0.0080810625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-In-Tl +mp-569393,GdTlSe2,-7.4872911175,-1.629644032,0.0,-0.0987898268,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Gd-Se-Tl +mp-1225823,Dy(InCu)6,-3.6412658692,-0.1249482354,0.0043737358,0.0043737358,GGA,Immm,A6BC6_oI26_71_fk_a_egh:Cu-Dy-In,13.0,A6BC6_oI26_71_fk_a_egh:Cu-Dy-In +mp-1080594,DyInCu,-4.2329843722,-0.4137586256,0.0,-0.0473114672,GGA,P-62m,ABC_hP9_189_ad_f_g:Cu-Dy-In,9.0,ABC_hP9_189_ad_f_g:Cu-Dy-In +mp-1080384,DyInCu4,-4.2352621917,-0.2760459833,0.0,-0.0584712756,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Dy-In,6.0,A4BC_cF24_216_e_a_c:Cu-Dy-In +mp-22680,DyInCu2,-4.2143608725,-0.325139895,0.0197624094,0.0197624094,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-In,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-In +mp-1225653,Dy2In3Cu,-3.3919972617,0.2026413283,0.6275442886,0.6275442886,GGA,Pmm2,AB2C3_oP6_25_a_ab_a2b:Cu-Dy-In,6.0,AB2C3_oP6_25_a_ab_a2b:Cu-Dy-In +mp-1225405,Dy2In3Cu,-3.9908007317,-0.3961621417,0.0287408186,0.0287408186,GGA,P3m1,AB2C3_hP6_156_a_2b_a2c:Cu-Dy-In,6.0,AB2C3_hP6_156_a_2b_a2c:Cu-Dy-In +mp-1226099,DyIn7Cu5,-3.47929966,-0.0666376369,0.0619664578,0.0619664578,GGA,Imm2,A5BC7_oI26_44_ae_b_a2b2c:Cu-Dy-In,13.0,A5BC7_oI26_44_ae_b_a2b2c:Cu-Dy-In +mp-639756,DyIn3Cu2,-3.5994530767,-0.0894111817,0.1843246365,0.1843246365,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Cu-Dy-In,6.0,A2BC3_hP6_191_c_a_g:Cu-Dy-In +mp-975972,PrLuMg2,-3.2078031125,-0.0821990187,0.0090574825,0.0090574825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Pr +mp-1226356,Dy20In40Rh19,-4.9272659666,-0.5965705801,0.0,-0.0018336758,GGA,P-4m2,A20B40C19_tP79_115_2gjkl_2h2i2j2kl_abcjkl:Dy-In-Rh,79.0,"Invalid WP multiplicities - A20B40C19_tP79_115_2g2jkl_2h2i4j2kl_abc2jkl:Dy-In-Rh, expected Dy24In48Rh23 to be Dy20In40Rh19" +mp-571230,Dy4InRh,-5.3077413008,-0.5505514742000001,0.0,-0.0384375133,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-In-Rh,24.0,"Invalid WP multiplicities - A4BC_cF96_216_4e3f3g_e_e:Dy-In-Rh, expected Dy13InRh to be Dy4InRh" +mp-861892,DyInRh2,-6.27401583,-0.7522442525,0.0,-0.087684105,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-In-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-In-Rh +mp-20996,DyIn5Rh,-4.0783006671,-0.4026559014,0.0,-0.0196246924,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Dy-In-Rh,7.0,AB5C_tP7_123_a_ci_b:Dy-In-Rh +mp-567588,DyInRh,-5.65875059,-0.7511577767000001,0.0,-0.0559148137,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-In-Rh,9.0,ABC_hP9_189_f_g_ad:Dy-In-Rh +mp-14928,Sc2MnSe4,-6.7283337421,-1.612533826,0.0,-0.0219864989,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mn-Sc-Se,14.0,AB2C4_cF56_227_a_d_e:Mn-Sc-Se +mp-1232237,ScSe2,-6.0258620167,-1.5844313299,0.0734518,0.0734518,GGA,P4/nmm,AB2_tP6_129_c_ac:Sc-Se,6.0,AB2_tP6_129_c_ac:Sc-Se +mp-723973,Sc2Se3,-0.8752138180000001,3.7553207106,5.7447804665,5.435934266,GGA,P1,A2B3_aP10_1_4a_6a:Sc-Se,10.0,A2B3_aP10_2_2i_bd2i:Sc-Se +mp-684690,Sc2Se3,-6.586238563,-1.9557040344,0.0337557215,-0.275090479,GGA,C2/c,A2B3_mC20_15_2e_cf:Sc-Se,10.0,"Invalid WP multiplicities - A2B3_mC20_15_2e_2c2f:Sc-Se, expected ScSe3 to be Sc2Se3" +mp-1205354,Sc2Se3,-6.6199942845,-1.9894597559,0.0,-0.3088462005,GGA,Fddd,A2B3_oF80_70_2e_fh:Sc-Se,20.0,A2B3_oF80_70_2e_fh:Sc-Se +mp-1219395,Sc2Se3,-6.592210588,-1.9616760594,0.0277836965,-0.281062504,GGA,Immm,A2B3_oI10_71_f_ae:Sc-Se,5.0,A2B3_oI10_71_f_ae:Sc-Se +mp-1782,ScSe,-6.739077185,-1.8248868937,0.0,-0.1670037638,GGA,Fm-3m,AB_cF8_225_a_b:Sc-Se,2.0,AB_cF8_225_a_b:Sc-Se +mp-977581,EuHgAu2,-4.81602472,-0.5389131787,0.0266572775,0.0266572775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Hg,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Hg +mp-1210190,Rb5(Pb3Cl8)2,-3.8550113852,-1.7529691873000002,0.062233326,0.062233326,GGA,P4/mbm,A16B6C5_tP54_127_fgjl_ek_agh:Cl-Pb-Rb,54.0,A16B6C5_tP54_127_fgjl_ek_agh:Cl-Pb-Rb +mp-1209718,Rb2PbCl5,-3.5683640759,-1.7038142616,0.1199339509,0.1199339509,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-Pb-Rb,32.0,A5BC2_mP32_14_5e_e_2e:Cl-Pb-Rb +mp-998605,RbPbCl3,-3.87638783,-1.8286296055,0.038132586,0.0130093092,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-Pb-Rb,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-Pb-Rb, expected RbPbCl5 to be RbPbCl3" +mp-998604,RbPbCl3,-3.914520416,-1.8667621915,0.0,-0.0251232768,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Cl-Pb-Rb,10.0,A3BC_oC20_63_cf_a_c:Cl-Pb-Rb +mp-1209191,RbPbCl3,-3.876167596,-1.8284093715,0.03835282,0.0132295432,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Pb-Rb,5.0,A3BC_cP5_221_c_b_a:Cl-Pb-Rb +mp-29883,Rb3PbCl5,-3.7950960019,-2.0287701589,0.0060410647,0.0060410647,GGA,Pnma,A5BC3_oP36_62_c2d_c_cd:Cl-Pb-Rb,36.0,A5BC3_oP36_62_c2d_c_cd:Cl-Pb-Rb +mp-23475,Rb2PbCl6,-3.5690389544,-1.7062683794,0.0,-0.0932327661,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Pb-Rb,9.0,A6BC2_cF36_225_e_a_c:Cl-Pb-Rb +mp-674972,Rb6Pb5Cl16,-3.8697373961,-1.8688845685,0.025885795,0.025885795,GGA,C2/m,A16B5C6_mC108_12_g3i6j_i2j_egh3i:Cl-Pb-Rb,54.0,"Invalid WP multiplicities - A16B5C6_mC108_12_2g6i20j_2i3j_2f2gh6i:Cl-Pb-Rb, expected Rb11(PbCl6)8 to be Rb6Pb5Cl16" +mp-1095160,Eu2InPd2,-7.448637287,-0.7235470970000001,0.0,-0.015611658,GGA,C2/c,A2BC2_mC20_15_f_e_f:Eu-In-Pd,10.0,A2BC2_mC20_15_f_e_f:Eu-In-Pd +mp-21258,EuIn2Pd,-5.8606876787,-0.6256249113,0.0,-0.0355647579,GGA,Cmcm,AB2C_oC16_63_c_f_c:Eu-In-Pd,8.0,AB2C_oC16_63_c_f_c:Eu-In-Pd +mp-22008,EuIn4Pd,-4.8746612817,-0.4673915267,0.0,-0.0137695832,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Eu-In-Pd,12.0,AB4C_oC24_63_c_acf_c:Eu-In-Pd +mp-22322,EuInPd,-6.77558456,-0.7127287800000001,0.0,-0.0327026544,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-In-Pd,12.0,ABC_oP12_62_c_c_c:Eu-In-Pd +mp-1091389,EuInPd,-6.7676516556,-0.7047958756,0.0079329044,-0.02476975,GGA,P-62m,ABC_hP9_189_f_g_ad:Eu-In-Pd,9.0,ABC_hP9_189_f_g_ad:Eu-In-Pd +mp-1216753,Tm4CrSe7,-6.1458943767,-1.8102469178,0.0945077831,0.0945077831,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cr-Se-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Cr-Se-Tm +mp-1208476,Tb4CdPd,-4.5489773267,-0.4422713317,0.0,-0.030144115,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pd-Tb,24.0,ABC4_cF96_216_e_e_efg:Cd-Pd-Tb +mp-977397,TbCdPd2,-4.705233515,-0.7259786450000001,0.0,-0.0158733396,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Tb,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Tb +mp-1205561,Tb2CdPd2,-4.90759275,-0.797315634,0.0,-0.01912668,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Pd-Tb,10.0,AB2C2_tP10_127_a_g_h:Cd-Pd-Tb +mp-1208303,TbCdPd,-4.2651935167,-0.6861476267000001,0.0,-0.0145940841,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Pd-Tb,9.0,ABC_hP9_189_f_bc_g:Cd-Pd-Tb +mp-22794,TmGeRh,-6.4812724017,-0.9935486856,0.0,-0.0891826575,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Tm +mp-21810,Tm5(Ge5Rh2)2,-5.9432560789,-0.7818514923000001,0.0,-0.0425818275,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Tm,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Tm +mp-570843,Tm(GeRh)2,-6.54456914,-0.8544677653,0.0,-0.040286879,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Tm,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Tm +mp-1106021,Tm2Ge5Rh3,-6.1606430395,-0.7446696663,0.0023595495,0.0023595495,GGA,C2/c,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Tm,20.0,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Tm +mp-1201940,Tm3Ge13Rh4,-5.670977051,-0.5217720577,0.0116756301,0.0116756301,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Tm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Tm +mp-1208062,Tm3(GeRh)2,-6.28317589,-0.9400076443,0.0113000306,0.0113000306,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Tm,28.0,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Tm +mp-1192459,Tm(GeRh2)2,-6.9426964861,-0.7742503985,0.0,-0.1088670318,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ge-Rh-Tm,28.0,A2B4C_oP28_62_2c_4c_c:Ge-Rh-Tm +mp-1096340,NaHg2Bi,-0.8951750125,0.5474187759,0.7294971058,0.7294971058,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Hg-Na,4.0,AB2C_oI8_71_a_e_b:Bi-Hg-Na +mp-1093583,Na2HgBi,-1.1143964725,0.582908548,0.8854828728,0.8854828728,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Na,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Na +mp-1193575,Mn(NbSe2)4,-7.1018723796,-1.137677974,0.0,-0.054294321,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Mn-Nb-Se,26.0,AB4C8_hP26_194_a_bh_fk:Mn-Nb-Se +mp-1189932,Mn(NbSe2)3,-7.105737382,-1.0615974542,0.0476385704,0.0476385704,GGA,P6_322,AB3C6_hP20_182_c_af_i:Mn-Nb-Se,20.0,AB3C6_hP20_182_c_af_i:Mn-Nb-Se +mp-1220480,NbAlCo4,-7.24639702,-0.1997050117,0.1103399575,0.1103399575,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Co-Nb,12.0,AB4C_hP12_164_d_abi_d:Al-Co-Nb +mp-1220492,NbAlCo,-7.3610964875,-0.3760302658,0.0481480032,0.0481480032,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Nb, expected Nb3(AlCo)2 to be NbAlCo" +mp-5149,NbAlCo2,-7.44468919,-0.428810075,0.0,-0.0375581949,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Nb,4.0,AB2C_cF16_225_a_c_b:Al-Co-Nb +mp-1220669,Nb3AlCo8,-7.7641818692,-0.18784576,0.0613103917,0.0613103917,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Al-Co-Nb,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Al-Co-Nb, expected Nb3AlCo20 to be Nb3AlCo8" +mp-1220527,Nb4Al5Co3,-7.0247338108,-0.3198960863,0.1324106885,0.1324106885,GGA,P-6m2,A5B3C4_hP12_187_gj_k_hi:Al-Co-Nb,12.0,"Invalid WP multiplicities - A5B3C4_hP12_187_gj_k_2hi:Al-Co-Nb, expected Nb6Al5Co3 to be Nb4Al5Co3" +mp-1097608,Ti2MnTc,-5.5089399125,3.3194696551,3.6850089731,3.6850089731,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Tc-Ti,4.0,ABC2_oI8_71_a_b_e:Mn-Tc-Ti +mp-1187433,Ti2MnTc,-9.18377433,-0.3553647624,0.0101745556,0.0101745556,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Tc-Ti +mp-1206288,NpSi2Ni,-7.8585378325,-0.4638997272,0.0,-0.1410117599,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ni-Np-Si,,ABC2_oC16_63_c_c_2c:Ni-Np-Si +mp-571509,Np(SiNi)2,-7.434911656,-0.3631738358,0.0945563091,0.0945563091,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Ni-Np-Si +mp-1202224,PrSiAs3,-5.4451909613,-0.6084751613,0.0306355467,0.0306355467,GGA,Pna2_1,A3BC_oP40_33_6a_2a_2a:As-Pr-Si,40.0,A3BC_oP40_33_6a_2a_2a:As-Pr-Si +mp-1184698,Hf3Th,-9.1937081925,0.1276481425,0.1276481425,0.1276481425,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Th,8.0,A3B_hP8_194_h_c:Hf-Th +mp-1184636,HfThTc2,-9.7725783775,-0.249497085,0.0452344613,0.0452344613,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Hf-Tc-Th +mp-1225399,Dy3NiPd2,-5.7476848342,-0.7543080308,0.0,-0.0058833142,GGA,P2_1/m,A3BC2_mP12_11_3e_e_2e:Dy-Ni-Pd,12.0,A3BC2_mP12_11_3e_e_2e:Dy-Ni-Pd +mp-866100,Er2CuOs,-6.4255196575,-0.3100167275,0.0,-0.0086011333,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Os +mp-973951,Lu2CuRh,-5.7749071125,-0.6485532175000001,0.0,-0.0030669331,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Rh +mp-1193669,Hf9Re4As,-10.6984916414,-0.4090681832,0.0,-0.0092059276,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:As-Hf-Re,28.0,AB9C4_hP28_194_c_hk_ah:As-Hf-Re +mp-866125,LuTaRu2,-9.2436287175,-0.51174541,0.0,-0.117564985,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Ta +mp-866206,Yb2AgRh,-3.83334805,-0.5143279417000001,0.0,-0.00342416,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Rh-Yb,,ABC2_cF16_225_a_b_c:Ag-Rh-Yb +mp-861973,PaCdAu2,-4.6058527300000005,-0.359523125,0.0,-0.1007136644,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Pa,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Pa +mp-865163,HfBeRh2,-7.8788580725,-0.7725536637,0.0,-0.0149586346,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Hf-Rh,4.0,ABC2_cF16_225_a_b_c:Be-Hf-Rh +mp-1078700,Li2BiAu,-3.1599042387,-0.4268500229,0.0434624388,0.0434624388,GGA,Cmcm,ABC2_oC16_63_a_c_g:Au-Bi-Li,8.0,ABC2_oC16_63_a_c_g:Au-Bi-Li +mp-567076,Li2BiAu,-3.18468985,-0.4516356342,0.0186768275,0.0186768275,GGA,F-43m,ABC2_cF16_216_a_c_bd:Au-Bi-Li,4.0,ABC2_cF16_216_a_c_bd:Au-Bi-Li +mp-1184982,Li2BiAu,-3.1769135775,-0.4438593617,0.0264531,0.0264531,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Li,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Li +mp-1093540,Li2GaBi,-1.6831081975000002,0.988499524,1.371066738,1.371066738,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Ga-Li,4.0,ABC2_oI8_71_a_b_e:Bi-Ga-Li +mp-861872,Ac2HgGe,-3.7850235675,-0.4927590088,0.0,-0.2072929379,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ge-Hg,4.0,A2BC_cF16_225_c_a_b:Ac-Ge-Hg +mp-1216746,Tm2InAg,-4.0179878525,-0.3840102075,0.0,-0.006368955,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-In-Tm,4.0,ABC2_tP4_123_a_b_h:Ag-In-Tm +mp-569440,TmInAg2,-3.5737251925,-0.3505674025,0.0,-0.0623059278,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-In-Tm +mp-1096289,Sc2InHg,-2.082996855,1.8470787212,2.2782806675,2.2782806675,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-In-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-In-Sc +mp-1186950,Sc2InHg,-4.3502295,-0.4201539238,0.0110480225,0.0110480225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Sc,4.0,ABC2_cF16_225_a_b_c:Hg-In-Sc +mp-1097373,ScInHg2,-1.175142975,1.2477354163,1.501498855,1.501498855,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Sc,4.0,A2BC_oI8_71_e_a_b:Hg-In-Sc +mp-1097428,CdSnPd2,-2.6574879525,1.1655683563,1.6365186331,1.6365186331,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Cd-Pd-Sn +mp-1093670,LiHg2Rh,-1.3472129775,1.1229348892,1.3098369488,1.3098369488,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Rh,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Rh +mp-1093706,HfScNi2,-4.353757925,2.6087249487,3.121889105,3.121889105,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ni-Sc,4.0,AB2C_oI8_71_a_e_b:Hf-Ni-Sc +mp-1198816,Eu(Ga4Rh)2,-4.9991504164,-0.5254789873,0.0,-0.0220741749,GGA,Pbam,AB8C2_oP44_55_g_ad2g5h_2g:Eu-Ga-Rh,44.0,AB8C2_oP44_55_g_ad2g5h_2g:Eu-Ga-Rh +mp-645591,Eu2(Ga3Rh)3,-5.62829268,-0.6383075791,0.0,-0.0540512195,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Eu-Ga-Rh,28.0,"Invalid WP multiplicities - A2B9C3_oC56_63_g_2c3f2g4h_a2e:Eu-Ga-Rh, expected Eu2Ga28Rh5 to be Eu2(Ga3Rh)3" +mp-1068164,Tb2InNi2,-5.235167656,-0.519029798,0.0,-0.0392131195,GGA,Cmmm,AB2C2_oC10_65_a_g_h:In-Ni-Tb,5.0,AB2C2_oC10_65_a_g_h:In-Ni-Tb +mp-1078718,Tb2InNi2,-5.222130356,-0.505992498,0.0130373,-0.0261758195,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Tb,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Tb +mp-1191784,Tb5(In2Ni)2,-4.6766838150000005,-0.5186075623,0.0,-0.0066463047,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Ni-Tb,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Ni-Tb +mp-582293,TbInNi,-4.8858250044,-0.4970961678,0.0,-0.0173273278,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Tb,9.0,ABC_hP9_189_f_bc_g:In-Ni-Tb +mp-1191278,TbIn2Ni9,-5.3946442521,-0.2147306121,0.0059101838,0.0059101838,GGA,P4/mbm,A2B9C_tP24_127_g_cjk_a:In-Ni-Tb,24.0,A2B9C_tP24_127_g_cjk_a:In-Ni-Tb +mp-1218321,Tb20In40Ni19,-4.3805488875,-0.4238746075,0.0088093964,0.0088093964,GGA,P-4m2,A40B19C20_tP79_115_2h2i2j2kl_abcjkl_2gjkl:In-Ni-Tb,79.0,"Invalid WP multiplicities - A40B19C20_tP79_115_2h2i4j2kl_abc2jkl_2g2jkl:In-Ni-Tb, expected Tb24In48Ni23 to be Tb20In40Ni19" +mp-684517,Tb4In20Ni11,-4.1961055963,-0.2774586683,0.0113035924,0.0113035924,GGA,Cm,A20B11C4_mC70_8_20a_11a_4a:In-Ni-Tb,35.0,"Invalid WP multiplicities - A20B11C4_mC70_12_19i_a10i_4i:In-Ni-Tb, expected Tb8In38Ni21 to be Tb4In20Ni11" +mp-648006,Tb4In20Ni11,-4.1910051709,-0.2723582429,0.0164040179,0.0164040179,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:In-Ni-Tb,35.0,"Invalid WP multiplicities - A20B11C4_mC70_12_19i_a10i_4i:In-Ni-Tb, expected Tb8In38Ni21 to be Tb4In20Ni11" +mp-1191293,Tb11In9Ni4,-4.6307923613,-0.5114703867,0.0,-0.0014234588,GGA,Cmmm,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Tb,24.0,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Tb +mp-672325,TbIn2Ni,-4.4101602025,-0.4306926425,0.0,-0.0100059095,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ni-Tb,8.0,A2BC_oC16_63_f_c_c:In-Ni-Tb +mp-961678,ScCoTe,-6.4622083133,-0.9341773822,0.0061142183,0.0061142183,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Sc-Te,3.0,ABC_cF12_216_c_a_b:Co-Sc-Te +mp-1206267,Sc6CoTe2,-6.46778233,-0.7578107509,0.0,-0.0258437284,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Co-Sc-Te +mp-30344,Li2InAg,-2.640229015,-0.2897076483,0.0,-0.033749731,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-In-Li,4.0,ABC2_cF16_216_a_c_bd:Ag-In-Li +mp-567787,LiInAg2,-2.7932394025,-0.2118097517,0.0,-0.0502664163,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Li,4.0,A2BC_cF16_225_c_a_b:Ag-In-Li +mp-1095806,LiIn2Ag,-1.51229169,1.0489198925,1.220640675,1.220640675,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-In-Li,4.0,AB2C_oI8_71_a_e_b:Ag-In-Li +mp-1185379,LiIn2Ag,-2.7164628225,-0.15525124,0.0164695425,0.0164695425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-In-Li,4.0,AB2C_cF16_225_a_c_b:Ag-In-Li +mp-1215433,YbLuAl4,-3.8990600833,-0.3919163967,0.0210121733,0.0210121733,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Lu-Yb,,A4BC_cF24_216_e_a_c:Al-Lu-Yb +mp-1228817,AlReGe,-7.1854880967,-0.2477778067,0.0,-0.0372578767,GGA,I4mm,ABC_tI6_107_a_a_a:Al-Ge-Re,3.0,ABC_tI6_107_a_a_a:Al-Ge-Re +mp-1226818,Ce2ZnBi4,-4.6083445729,-0.5386476529,0.0,-0.0146388557,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:Bi-Ce-Zn,7.0,A4B2C_tP7_115_abg_g_c:Bi-Ce-Zn +mp-972949,LaSmZn2,-3.3591958825,-0.3156757675,0.0070909075,0.0070909075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:La-Sm-Zn +mp-571626,Mg3Ga7Co2,-3.5956073292,-0.2444283377,0.0,-0.0246850973,GGA,C2/c,A2B7C3_mC48_15_f_e3f_ef:Co-Ga-Mg,24.0,"Invalid WP multiplicities - A2B7C3_mC48_15_f_2e7f_2e3f:Co-Ga-Mg, expected Mg4Ga8Co to be Mg3Ga7Co2" +mp-1093640,MgGaCo2,-2.58650679,2.1247461256,2.2813924966,2.2813924966,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Ga-Mg,4.0,A2BC_oI8_71_e_a_b:Co-Ga-Mg +mp-1022065,Mg6GaCo,-2.387781345,0.0794804197,0.1692707161,0.1692707161,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Ga-Mg, expected Mg12GaCo to be Mg6GaCo" +mp-1022084,Mg6GaCo,-2.3989261119,0.0683356528,0.1581259492,0.1581259492,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Ga-Mg, expected Mg12GaCo to be Mg6GaCo" +mp-1028413,Mg14GaCo,-1.9864756712,0.0472952361,0.1050501233,0.1050501233,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Ga-Mg, expected Mg18GaCo to be Mg14GaCo" +mp-1028408,Mg14GaCo,-1.9910061369,0.0427647705,0.1005196577,0.1005196577,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Ga-Mg, expected Mg26GaCo to be Mg14GaCo" +mp-985557,Ce3Dy,-5.50647316,0.0950404162,0.0950404162,0.0950404162,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Dy,4.0,A3B_tI8_139_ad_b:Ce-Dy +mp-1183737,Ce3Dy,-5.502447785,0.0990657912,0.0990657912,0.0990657912,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Dy,4.0,A3B_cP4_221_c_a:Ce-Dy +mp-984779,CeDy3,-4.8555917775,0.0827706412,0.0827706412,0.0827706412,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Dy,4.0,AB3_tI8_139_a_bd:Ce-Dy +mp-984702,CeDyZn2,-3.531705985,-0.2668651813,0.0276237388,0.0276237388,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Dy-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Dy-Zn +mp-1205763,DyMgGa,-3.5704155278,-0.4920278903,0.0,-0.065065623,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Ga-Mg,9.0,ABC_hP9_189_f_ad_g:Dy-Ga-Mg +mp-1184078,Dy2MgGa,-3.79647243,-0.3359849919,0.0375002518,0.0375002518,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ga-Mg,4.0,A2BC_cF16_225_c_a_b:Dy-Ga-Mg +mp-1206507,Th2(SiPt)3,-5.6414761787,0.52315764,1.6697480519,1.6697480519,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Th,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Th +mp-1079221,Th(SiPt)2,-7.210087508,-1.128735318,0.0,-0.1715325874,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Pt-Si-Th,10.0,A2B2C_tP10_129_ac_bc_c:Pt-Si-Th +mp-4611,Th(SiPt)2,-7.110449386,-1.029097196,0.099638122,-0.0718944654,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Th +mp-1217352,ThSiPt,-7.317739285,-1.0143027517,0.16204615,0.0644420843,GGA,Imma,ABC_oI12_74_e_e_e:Pt-Si-Th,6.0,ABC_oI12_74_e_e_e:Pt-Si-Th +mp-1025098,ThSiPt,-7.479785435,-1.1763489017,0.0,-0.0976040657,GGA,I4_1md,ABC_tI12_109_a_a_a:Pt-Si-Th,6.0,ABC_tI12_109_a_a_a:Pt-Si-Th +mp-1217278,Th2Si3Pt,-7.1421321217,-0.94633147,0.0,-0.0718515908,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Pt-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Pt-Si-Th +mp-14589,Hf2Si4Ni3,-7.2687080033,-0.7180346456000001,0.0,-0.0090530598,GGA,Cmce,A2B3C4_oC36_64_f_ae_ef:Hf-Ni-Si,18.0,"Invalid WP multiplicities - A2B3C4_oC36_64_f_a2e_ef:Hf-Ni-Si, expected Hf2Si4Ni5 to be Hf2Si4Ni3" +mp-580744,Hf6Si7Ni16,-7.3397883766,-0.78107985,0.0,-0.1099456532,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Hf-Ni-Si,29.0,"Invalid WP multiplicities - A6B16C7_cF116_225_e_9f_a2d:Hf-Ni-Si, expected Hf6Si13Ni72 to be Hf6Si7Ni16" +mp-1194182,Hf4Si7Ni4,-7.433425386,-0.704990116,0.0138145917,0.0138145917,GGA,I4/mmm,A4B4C7_tI60_139_hi_k_ehij:Hf-Ni-Si,30.0,A4B4C7_tI60_139_hi_k_ehij:Hf-Ni-Si +mp-1224364,Hf2SiNi3,-7.7658665142,-0.6525154925000001,0.0477913839,0.0477913839,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Hf-Ni-Si,12.0,A2B3C_hP12_194_f_h_a:Hf-Ni-Si +mp-571147,Hf(SiNi)2,-7.208587292,-0.734967602,0.0,-0.022850208,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Hf-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Hf-Ni-Si +mp-1101952,HfSiNi,-7.9230497792,-0.8688351992000001,0.0,-0.0234083282,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Ni-Si,12.0,ABC_oP12_62_c_c_c:Hf-Ni-Si +mp-961686,HfSiNi,-7.3316951133,-0.2774805333,0.5913546658000001,0.5679463377,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Ni-Si,3.0,ABC_cF12_216_a_b_c:Hf-Ni-Si +mp-9605,Hf3Si3Ni2,-8.090383875,-0.8769095575,0.0,-0.0296506456,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Hf-Ni-Si,16.0,A3B2C3_oC32_63_cf_f_cf:Hf-Ni-Si +mp-672645,TiSiRh,-7.8416445908,-0.9466052853,0.0,-0.1671871074,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Si-Ti,12.0,ABC_oP12_62_c_c_c:Rh-Si-Ti +mp-1220758,Nb12IrAu3,-8.8999139444,-0.1576801531,0.0121205191,0.0121205191,GGA,Pmmm,A3BC12_oP16_47_al_b_2knpw:Au-Ir-Nb,16.0,"Invalid WP multiplicities - A3BC12_oP16_47_al_b_4k2n2p2w:Au-Ir-Nb, expected Nb24IrAu3 to be Nb12IrAu3" +mp-1096157,MnTlRh2,-4.2197731875,2.3435453572,2.4327028667,2.4327028667,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Rh-Tl,4.0,AB2C_oI8_71_a_e_b:Mn-Rh-Tl +mp-1221548,MnTlRh2,-6.59545923,-0.0321406853,0.0570168242,0.0570168242,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Mn-Rh-Tl,4.0,AB2C_tP4_123_a_h_b:Mn-Rh-Tl +mp-867220,LiTm2Ir,-5.56680116,-0.6420441867000001,0.0,-0.0380605457,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Tm +mp-1184074,DyTmRu2,-7.27935581,-0.3714989742,0.003211937,0.003211937,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Tm +mp-1184462,EuHg2Pb,-4.0414139675,-0.3971615675,0.00596841,0.00596841,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Pb,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Pb +mp-1018698,EuHgPb,-5.22129736,-0.4635209483,0.0,-0.0210274867,GGA,P6_3mc,ABC_hP6_186_a_b_b:Eu-Hg-Pb,6.0,ABC_hP6_186_a_b_b:Eu-Hg-Pb +mp-865677,ThSnPd2,-6.2413472675,-0.7955488363000001,0.0,-0.0106498159,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Th,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Th +mp-1103303,Pr2In8Co,-3.8497776518,-0.3330868205,0.008889548,0.008889548,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Pr,11.0,AB8C2_tP11_123_a_ehi_g:Co-In-Pr +mp-1210767,Pr12InCo6,-5.5231935732,-0.1141167542,0.0,-0.0214286477,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-In-Pr,19.0,A6BC12_cI38_204_e_a_g:Co-In-Pr +mp-1078167,PrIn5Co,-3.9282677614,-0.2643188757,0.006889164,0.006889164,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Pr,7.0,AB5C_tP7_123_b_ci_a:Co-In-Pr +mp-1101088,PrInCo2,-5.6182874,-0.1809811313,0.062819095,0.062819095,GGA,Pmma,A2BC_oP8_51_af_e_f:Co-In-Pr,8.0,A2BC_oP8_51_af_e_f:Co-In-Pr +mp-864607,ZrCdPd2,-5.5443566975,-0.586768195,0.0,-0.0059783533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Zr +mp-936636,Yb3(Bi7Te12)2,-2.7695453473,0.4944793868,1.203691261,1.203691261,GGA,P1,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb,,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb +mp-675170,Yb3(Bi7Te12)2,-3.8434016802,-0.5793769461,0.129834928,0.129834928,GGA,P1,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb,,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb +mp-1364489,Yb3(Bi7Te12)2,-3.5414413241,-0.27741659,0.4317952841,0.4317952841,GGA,P1,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb,,A14B24C3_aP41_1_14a_24a_3a:Bi-Te-Yb +mp-677162,Yb(BiTe2)2,-3.9182614314,-0.8048599867,0.0949412743,0.0949412743,GGA,I-42d,A2B4C_tI28_122_d_e_a:Bi-Te-Yb,,A2B4C_tI28_122_d_e_a:Bi-Te-Yb +mp-504985,Ba(GaPt)2,-4.83710637,-0.8136196450000001,0.0,-0.165405185,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Ga-Pt,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_6e_5e:Ba-Ga-Pt, expected BaGa6Pt5 to be Ba(GaPt)2" +mp-1215456,YbErSe2,-5.4017338675,-2.1269463562,0.0,-0.00446189,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-Se-Yb,,AB2C_hR12_166_a_c_b:Er-Se-Yb +mp-1215863,Yb(ErSe2)2,-5.7182630629,-2.1955928042,0.0090512418,0.0090512418,GGA,P2/m,A2B4C_mP7_10_bd_mn_c:Er-Se-Yb,,"Invalid WP multiplicities - A2B4C_mP7_10_ce_2m2n_b:Er-Se-Yb, expected Yb(ErSe4)2 to be Yb(ErSe2)2" +mp-1192445,Yb(ErSe2)2,-5.7212898214,-2.1986195628,0.0060244832,0.0060244832,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Er-Se-Yb,,A2B4C_oP28_62_2c_4c_c:Er-Se-Yb +mp-984350,Dy3Sb4Au3,-4.903999497,-0.888198349,0.0,-0.0764277058,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Dy-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Dy-Sb +mp-581281,Dy5SbAu2,-4.6243032625,-0.4104658325,0.3833897923,0.3833897923,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:Au-Dy-Sb,16.0,"Invalid WP multiplicities - A2B5C_tI32_140_h_2c3l_a:Au-Dy-Sb, expected Dy14SbAu2 to be Dy5SbAu2" +mp-1181498,Dy5SbAu2,-4.9715911531,-0.7577537231,0.0361019017,0.0361019017,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:Au-Dy-Sb,16.0,A2B5C_tI32_140_h_cl_a:Au-Dy-Sb +mp-31278,Ca3(Bi2Pd)4,-4.3808725403,-0.550189879,0.0,-0.020113931,GGA,Pbam,A8B3C4_oP30_55_g3h_ag_gh:Bi-Ca-Pd,30.0,A8B3C4_oP30_55_g3h_ag_gh:Bi-Ca-Pd +mp-1213983,CaBiPd,-4.4445442642,-0.7692206575,0.0,-0.0844520239,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Ca-Pd,12.0,ABC_oP12_62_c_c_c:Bi-Ca-Pd +mp-977540,CaBiPd2,-4.675023325,-0.6235601675,0.0115995241,0.0115995241,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Ca-Pd,4.0,ABC2_cF16_225_a_b_c:Bi-Ca-Pd +mp-1097641,LiGaIr2,-3.0630239775,2.5904478348,2.9442833762,2.9442833762,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ir-Li,4.0,AB2C_oI8_71_a_e_b:Ga-Ir-Li +mp-31441,Li2GaIr,-4.3541279,-0.433033916,0.0,-0.0909976313,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ga-Ir-Li,4.0,ABC2_cF16_216_a_c_bd:Ga-Ir-Li +mp-570528,Li2GaIr,-4.1334613975,-0.2123674135,0.2206665025,0.1296688712,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ir-Li,4.0,ABC2_cF16_225_a_b_c:Ga-Ir-Li +mp-5419,LiGa2Ir,-4.70226614,-0.5013788671,0.0,-0.0698042769,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Ga-Ir-Li +mp-1207274,LiGaIr,-5.0276014183,-0.4357837286,0.0,-0.0067439479,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Ir-Li,6.0,ABC_hP6_194_c_a_d:Ga-Ir-Li +mp-864804,LiTbHg2,-2.235380125,-0.4477177008,0.0,-0.0179394525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Tb,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Tb +mp-1185441,LiSm2Ga,-3.8961956825,-0.3026478927,0.0107186032,0.0107186032,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Sm,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Sm +mp-862657,LiCuPd2,-4.3899021375,-0.2979288483,0.0,-0.0174133675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Cu-Li-Pd +mp-1097385,Li2CuPd,-2.0072359975,1.2669975558,1.5552116375,1.5552116375,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Li-Pd,4.0,AB2C_oI8_71_a_e_b:Cu-Li-Pd +mp-1096671,LiCu2Pd,-2.072857125,1.7489473792,1.967801,1.967801,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Li-Pd,4.0,A2BC_oI8_71_e_a_b:Cu-Li-Pd +mp-1195347,Pr3Ge13Pt4,-5.4575791808,-0.5212485477000001,0.0733214052,0.0733214052,GGA,Cc,A13B3C4_mC80_9_13a_3a_4a:Ge-Pr-Pt,40.0,A13B3C4_mC80_9_13a_3a_4a:Ge-Pr-Pt +mp-1106226,PrGe2Pt,-5.9203377575000005,-0.8958140612000001,0.0,-0.0280366063,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Pr-Pt,16.0,A2BC_oI32_71_efm_ei_m:Ge-Pr-Pt +mp-645543,Pr3(Ge3Pt2)2,-6.0197551335,-0.9147230046,0.0,-0.0467651862,GGA,Pnma,A6B3C4_oP52_62_6c_3c_4c:Ge-Pr-Pt,52.0,"Invalid WP multiplicities - A6B3C4_oP52_62_22c_8c_12c:Ge-Pr-Pt, expected Pr4Ge11Pt6 to be Pr3(Ge3Pt2)2" +mp-505484,PrGePt,-6.2183094483,-1.059953805,0.0,-0.0923271937,GGA,Pmmn,ABC_oP24_59_2e_abe_2e:Ge-Pr-Pt,24.0,ABC_oP24_59_2e_abe_2e:Ge-Pr-Pt +mp-1205801,Pr2Ge6Pt,-5.3726302433,-0.5536178033,0.0659706928,0.0659706928,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Pr-Pt,,A6B2C_oC18_38_2a4b_2a_b:Ge-Pr-Pt +mp-1105939,Pr(Ge3Pt)4,-5.3619815729,-0.388936085,0.0059454021,0.0059454021,GGA,Im-3,A12BC4_cI34_204_g_a_c:Ge-Pr-Pt,17.0,A12BC4_cI34_204_g_a_c:Ge-Pr-Pt +mp-1025193,HfGa5Co,-4.9589998886,-0.3581446118,0.0,-0.0048498979,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Hf,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Hf +mp-1224596,Hf2Ga3Co,-6.4607176761,-0.4428870224,0.0726519649,0.0726519649,GGA,P1,AB3C2_aP18_1_3a_9a_6a:Co-Ga-Hf,18.0,AB3C2_aP18_1_3a_9a_6a:Co-Ga-Hf +mp-1224165,Hf2Ga3Co,-6.4712260683,-0.4533954146,0.0621435726,0.0621435726,GGA,Cm,AB3C2_mC12_8_a_3a_2a:Co-Ga-Hf,6.0,AB3C2_mC12_8_a_3a_2a:Co-Ga-Hf +mp-1193188,Hf6Ga16Co7,-5.8474304541,-0.4008478643,0.0646823953,0.0646823953,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Co-Ga-Hf,29.0,A7B16C6_cF116_225_ad_2f_e:Co-Ga-Hf +mp-1224583,HfGaCo,-7.1238254533,-0.4259578375,0.1288683322,0.0710060661,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Ga-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Ga-Hf, expected Hf3(GaCo)2 to be HfGaCo" +mp-1095158,HfGaCo,-7.2526937856,-0.5548261697,0.0,-0.0578622661,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Ga-Hf,9.0,ABC_hP9_189_ad_g_f:Co-Ga-Hf +mp-1247807,Hf6Ga2Co,-8.4877351733,-0.3868858378,0.0,-0.0220531104,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Co-Ga-Hf,9.0,AB2C6_hP9_189_a_d_fg:Co-Ga-Hf +mp-1018712,HfGa4Co,-5.1097981583,-0.2468163392,0.1453793394,0.1453793394,GGA,P4/mmm,AB4C_tP6_123_a_i_b:Co-Ga-Hf,6.0,AB4C_tP6_123_a_i_b:Co-Ga-Hf +mp-21660,HfGa2Co,-6.29179913,-0.5113744125,0.0,-0.0425964244,GGA,I4mm,AB2C_tI80_107_bcd_c2de_2acd:Co-Ga-Hf,40.0,"Invalid WP multiplicities - AB2C_tI80_107_b2cd_2c4de_2acd:Co-Ga-Hf, expected Hf5Ga16Co7 to be HfGa2Co" +mp-3576,HfGaCo2,-7.2925749475,-0.4920947869,0.0,-0.0694358043,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Hf,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Hf +mp-1096603,Ba2LiHg,-0.491935165,1.0207031129,1.3086962517,1.3086962517,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Li,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Li +mp-977445,Nd2ZnIr,-5.387004505,-0.4783863413,0.054365951,0.054365951,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Nd-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Nd-Zn +mp-1095745,MgInPt2,-2.708128505,1.4154291,2.0069885737,2.0069885737,GGA,Immm,ABC2_oI8_71_a_b_e:In-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:In-Mg-Pt +mp-1208848,Sm2MgSi2,-5.046848941,-0.6692312650000001,0.0,-0.0591524938,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Si-Sm,10.0,AB2C2_tP10_127_a_g_h:Mg-Si-Sm +mp-1197176,Sm6Al43Mo4,-4.7113136139,-0.3197310112,0.0090333339,0.0090333339,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Sm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Sm +mp-567874,Pr(AlBr4)3,-3.9718224883,-1.805949163,0.0,-0.0270084038,GGA,P3_121,A3B12C_hP48_152_ac_6c_b:Al-Br-Pr,48.0,"Invalid WP multiplicities - A3B12C_hP48_152_2a2c_27c_b:Al-Br-Pr, expected Pr(AlBr9)6 to be Pr(AlBr4)3" +mp-862831,PaTiTc2,-9.8760718425,-0.3432132008,0.0,-0.0949299013,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Ti +mp-1186418,PaTi3,-8.24671751,0.0535676675,0.0535676675,0.0535676675,GGA,Fm-3m,AB3_cF16_225_a_bc:Pa-Ti,4.0,AB3_cF16_225_a_bc:Pa-Ti +mp-1186423,PaTi,-8.61191027,0.0931680683,0.0931680683,0.0931680683,GGA,P-6m2,AB_hP2_187_a_d:Pa-Ti,2.0,AB_hP2_187_a_d:Pa-Ti +mp-31458,TiSbRu,-7.55431355,-0.4546816178,0.1520736404,0.1520736404,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Sb-Ti,3.0,ABC_cF12_216_c_a_b:Ru-Sb-Ti +mp-972275,Ti2ReRu,-9.949766905,-0.5722884654,0.00823676,0.00823676,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Re-Ru-Ti +mp-1097178,TaSiTc2,-5.87532839,3.6257649975,4.1188019844,4.1188019844,GGA,Immm,ABC2_oI8_71_a_b_e:Si-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Si-Ta-Tc +mp-1215186,ZrTiCo4,-7.78613906,-0.3067284222,0.0029554325,0.0029554325,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ti-Zr,6.0,A4BC_cF24_216_e_a_c:Co-Ti-Zr +mp-20647,Nd2ScSi2,-6.02334018,-0.679460174,0.0,-0.0263209969,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Nd-Sc-Si,10.0,A2BC2_tP10_127_h_a_g:Nd-Sc-Si +mp-1220582,Nd(ScSi)4,-6.5087975039,-0.7533201736,0.0048390219,0.0048390219,GGA,P2_12_12_1,AB4C4_oP36_19_a_4a_4a:Nd-Sc-Si,36.0,AB4C4_oP36_19_a_4a_4a:Nd-Sc-Si +mp-1077558,NdScSi,-6.1036723467,-0.5950274908000001,0.0109685913,0.0109685913,GGA,I4/mmm,ABC_tI12_139_e_c_e:Nd-Sc-Si,6.0,ABC_tI12_139_e_c_e:Nd-Sc-Si +mp-1207147,NdScSi,-5.7564608150000005,-0.2478159592,0.358180123,0.358180123,GGA,I4/mmm,ABC_tI12_139_e_e_c:Nd-Sc-Si,6.0,ABC_tI12_139_e_e_c:Nd-Sc-Si +mp-22565,MnSiRh,-7.8699606458,-0.5527469151000001,0.0368562086,0.0368562086,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Rh-Si,12.0,ABC_oP12_62_c_c_c:Mn-Rh-Si +mp-1014005,Mn2SiRh,-7.89253321,-0.114119089,0.3316169275,0.3316169275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Rh-Si,4.0,A2BC_cF16_225_c_a_b:Mn-Rh-Si +mp-865015,MnSiRh2,-7.9061842025,-0.5771969370000001,0.0,-0.026452216,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Si,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Si +mp-1217144,Ti4AlGe7,-6.0875756183,-0.4468473782,0.0,-0.0059950583,GGA,I-4m2,AB7C4_tI24_119_a_bcdef_ef:Al-Ge-Ti,12.0,"Invalid WP multiplicities - AB7C4_tI24_119_a_bcde2f_e2f:Al-Ge-Ti, expected Ti6AlGe9 to be Ti4AlGe7" +mp-1217033,TiAl3Ge,-4.897630984,-0.1465815117,0.172040723,0.172040723,GGA,P4mm,A3BC_tP10_99_2a2bc_ab_c:Al-Ge-Ti,10.0,A3BC_tP10_99_2a2bc_ab_c:Al-Ge-Ti +mp-1217076,Ti2AlGe3,-6.03044356,-0.4628363219,0.0,-0.0106039963,GGA,Amm2,AB3C2_oC12_38_a_a2b_ab:Al-Ge-Ti,6.0,AB3C2_oC12_38_a_a2b_ab:Al-Ge-Ti +mp-861963,LiLu2Os,-5.8674126950000005,-0.3228648608,0.0,-0.0622114768,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Os +mp-1224681,GdAgSn2,-6.6898078575,-0.4578523692,0.0,-0.0045595904,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ag-Gd-Sn,4.0,ABC2_tP4_123_a_c_e:Ag-Gd-Sn +mp-865893,LiZr2Tc,-7.5212031425,-0.1799623746,0.0,-0.0618836605,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Li-Tc-Zr +mp-862683,Ac2GaCu,-4.1003081525,-0.2578949756,0.0,-0.0544190217,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Ga,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Ga +mp-1096071,Hf2TcPt,-6.1444689675,2.9420686138,3.758297815,3.758297815,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Pt-Tc,4.0,A2BC_oI8_71_e_a_b:Hf-Pt-Tc +mp-1185025,LaNdTl2,-4.01592732,-0.4085671123,0.0,-0.0015244925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:La-Nd-Tl +mp-1183791,DyLuAg2,-4.0365456975,-0.3383333558,0.0,-0.0433840762,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-Lu +mp-1189524,Tb6IrBr10,-5.07934621,-2.0102336171,0.0,-0.0061466646,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Ir-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Br-Ir-Tb +mp-1197952,Tb5IrBr9,-5.1311790738,-2.0653444305,0.0,-0.0351417302,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Br-Ir-Tb,120.0,A9BC5_tI240_88_9f_f_5f:Br-Ir-Tb +mp-1184305,Gd2GaAg,-8.96155065,-0.4583265235,0.0115806038,0.0115806038,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Gd,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Gd +mp-977140,NaTa3,-8.422682015,0.8012825309,0.8012825309,0.8012825309,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Ta,4.0,AB3_cF16_225_a_bc:Na-Ta +mp-1186085,Na3Ta,-2.7152330950000003,1.2411052826,1.2411052826,1.2411052826,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Ta,4.0,A3B_tI8_139_ad_b:Na-Ta +mp-631337,NaTaNi,-4.91805366,1.4020928745,1.5923401905,1.5923401905,GGA,F-43m,ABC_cF12_216_a_b_c:Na-Ni-Ta,3.0,ABC_cF12_216_a_b_c:Na-Ni-Ta +mp-973442,Lu2AgPt,-5.3347164525,-0.8483188617,0.0,-0.0027586739,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Pt +mp-974583,NdSmIr2,-7.3983146775,-0.6074141956,0.0808271766,0.0808271766,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Nd-Sm,4.0,A2BC_cF16_225_c_a_b:Ir-Nd-Sm +mp-1205861,Tm2CdCu2,-3.917683518,-0.3030887287,0.0,-0.004372324,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Tm,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Tm +mp-1206022,TmCdCu4,-3.88509992,-0.2525079428,0.0,-0.0596160203,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Cu-Tm,6.0,AB4C_cF24_216_a_e_c:Cd-Cu-Tm +mp-1187333,TbErHg2,-2.9304916175,-0.4781302075,0.007239185,0.007239185,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Tb,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Tb +mp-1095996,HfTc2Ge,-5.561256855,3.2641168387,3.587579865,3.587579865,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Hf-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Hf-Tc +mp-1186684,Pr2GaAg,-4.25287284,-0.397256956,0.0144603425,0.0144603425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Pr,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Pr +mp-976426,LiLuHg2,-2.17095215,-0.4116436208,0.0111588875,0.0111588875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Lu,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Lu +mp-1186308,NdHgAu2,-3.4909426725,-0.5860447231,0.0010815139,0.0010815139,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Hg-Nd +mp-20332,GdMgPd,-7.6360974978,-0.6840027978000001,0.0,-0.0819210891,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:Gd-Mg-Pd +mp-1225757,Er5Ga2As,-4.9011241762,-0.7068861138,0.0106613533,0.0106613533,GGA,Amm2,AB5C2_oC32_38_d_abdef_abe:As-Er-Ga,16.0,AB5C2_oC32_38_d_abdef_abe:As-Er-Ga +mp-865630,Yb2AgGe,-3.20710029,-0.5734001854,0.0,-0.0261120348,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ge-Yb,,ABC2_cF16_225_a_b_c:Ag-Ge-Yb +mp-9776,YbAgGe,-3.4931003478,-0.4947029683,0.0,-0.0314522959,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Yb,,ABC_hP9_189_f_bc_g:Ag-Ge-Yb +mp-1813,Ba2Mg17,-1.6904387663,-0.0566118858,0.0,-0.010550607,GGA,R-3m,A2B17_hR57_166_c_cdfh:Ba-Mg,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_2c3d5f3h:Ba-Mg, expected Ba2Mg61 to be Ba2Mg17" +mp-1018653,BaMgPb,-2.4181264133,-0.0074923933,0.3927297357,0.3927297357,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ba-Mg-Pb,6.0,ABC_tP6_129_a_c_c:Ba-Mg-Pb +mp-1016333,BaMg7,-1.5456728438,0.0944440675,0.1544775665,0.1544775665,GGA,P-6m2,AB7_hP8_187_a_djk:Ba-Mg,8.0,AB7_hP8_187_a_djk:Ba-Mg +mp-568512,Ba6Mg23,-1.740448151,-0.0742312272,0.0,-0.0107672,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Ba-Mg,29.0,"Invalid WP multiplicities - A6B23_cF116_225_e_a5d8f:Ba-Mg, expected Ba6Mg95 to be Ba6Mg23" +mp-1183308,BaMg,-1.81497386,-0.055346365,0.0,-0.0013550519,GGA,Pmma,AB_oP4_51_e_f:Ba-Mg,4.0,AB_oP4_51_e_f:Ba-Mg +mp-1935,BaMg2,-1.7785000975,-0.0719884175,0.0,-0.0059036014,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ba-Mg,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Ba-Mg, expected Ba2Mg7 to be BaMg2" +mp-1016218,BaMg3,-1.58201402,0.0979397525,0.1714063855,0.1714063855,GGA,Pmm2,AB3_oP4_25_a_bcd:Ba-Mg,4.0,AB3_oP4_25_a_bcd:Ba-Mg +mp-1183328,BaMg3,-1.68430436,-0.0043505875,0.0691160455,0.0691160455,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Mg,4.0,AB3_cF16_225_a_bc:Ba-Mg +mp-20452,Ba(MgPb)2,-2.884687651,-0.375721815,0.0,-0.0869175497,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ba-Mg-Pb,10.0,AB2C2_tP10_129_c_ac_bc:Ba-Mg-Pb +mp-1023583,BaMg15,-1.54612138,0.0740771006,0.1142602319,0.1142602319,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Ba-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Ba-Mg, expected BaMg27 to be BaMg15" +mp-1184337,BaMg149,-1.6211377579,-0.0187330753,0.0,-0.0151476558,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ba-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Ba-Mg, expected BaMg315 to be BaMg149" +mp-862835,PaZnPt2,-6.508655395,-0.7794866675000001,0.0,-0.0767227226,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Pt-Zn,4.0,AB2C_cF16_225_a_c_b:Pa-Pt-Zn +mp-1186619,PmGdAl2,-6.9566776675,-0.3772236119,0.0210269694,0.0210269694,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Gd-Pm,4.0,A2BC_cF16_225_c_a_b:Al-Gd-Pm +mp-865236,Tm2ZnOs,-5.7062895775,-0.3465941058,0.0071548836,0.0071548836,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Os-Tm-Zn +mp-865044,MgInIr2,-5.7653772875,-0.2581692525,0.0259354572,0.0259354572,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ir-Mg,4.0,AB2C_cF16_225_a_c_b:In-Ir-Mg +mp-1227005,Ce2Al41Mo3,-4.4677606867,-0.1640272591,0.018961226,0.018961226,GGA,R-3m,A41B2C3_hR138_166_abd4hi_c_e:Al-Ce-Mo,46.0,"Invalid WP multiplicities - A41B2C3_hR138_166_abd21h8i_c_e:Al-Ce-Mo, expected Ce2Al227Mo3 to be Ce2Al41Mo3" +mp-1229051,Al3NiMo12,-9.3543567219,-0.1565651288,0.0478393387,0.0478393387,GGA,Pmmm,A3B12C_oP16_47_al_2knpw_b:Al-Mo-Ni,16.0,"Invalid WP multiplicities - A3B12C_oP16_47_al_4k2n2p2w_b:Al-Mo-Ni, expected Al3NiMo24 to be Al3NiMo12" +mp-1192592,Ce6Mg23Sb,-2.6357673377,-0.0846347603,0.0171196396,0.0171196396,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Sb,30.0,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-Sb +mp-1017454,CeMg6Sb,-2.5753995612,-0.1174282244,0.1827814798,0.1827814798,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Sb, expected CeMg12Sb to be CeMg6Sb" +mp-1099334,CeMg6Sb,-2.5563885888,-0.0984172519,0.2017924523,0.2017924523,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Sb,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Sb +mp-1026732,CeMg14Sb,-2.0881840831,-0.0590583897,0.0987896673,0.0987896673,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Sb, expected CeMg18Sb to be CeMg14Sb" +mp-1026735,CeMg14Sb,-2.0330066281,-0.0038809347,0.1539671223,0.1539671223,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Sb, expected CeMg26Sb to be CeMg14Sb" +mp-1093884,ScAlRu2,-4.4829587125,2.6737537913,3.2820270225,3.2820270225,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ru-Sc,4.0,AB2C_oI8_71_a_e_b:Al-Ru-Sc +mp-862546,Sc2AlRu,-6.9508394725,-0.5296103275,0.0182483404,0.0182483404,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Ru-Sc +mp-10911,Sc2Al3Ru,-6.180973635,-0.6516289283000001,0.0,-0.0675087716,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Ru-Sc,12.0,A3BC2_hP12_194_h_a_f:Al-Ru-Sc +mp-1192947,Sc6Al16Ru7,-6.2865288055,-0.671189299,0.0042634424,0.0042634424,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Sc +mp-1217017,TiAl6Mo,-5.5131550725,-0.3613304342,0.0029926748,0.0029926748,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Mo-Ti,8.0,A6BC_tP8_123_adi_b_c:Al-Mo-Ti +mp-861627,Ti2AlMo,-7.9182453175,-0.3226928242,0.0,-0.0449087217,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mo-Ti,4.0,ABC2_cF16_225_a_b_c:Al-Mo-Ti +mp-865021,Be2RuPt,-6.2243702075,-0.51827981,0.0,-0.2413217035,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Be-Pt-Ru +mp-1095634,TeAsRu,-6.2521106858,-0.5598350731,0.0,-0.0518458975,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Ru-Te,12.0,ABC_mP12_14_e_e_e:As-Ru-Te +mp-862860,AcInAu2,-4.0088655325,-0.6537098481,0.0,-0.0586114438,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-In,4.0,AB2C_cF16_225_a_c_b:Ac-Au-In +mp-1186639,PmPuAu2,-6.9923277375,-0.6007915744,0.0,-0.1595709138,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Pu,4.0,A2BC_cF16_225_c_a_b:Au-Pm-Pu +mp-1186666,PmPu3,-11.6626491425,0.2258651856,0.2258651856,0.2258651856,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Pu,4.0,AB3_tI8_139_a_bd:Pm-Pu +mp-1006164,PmPu3,-11.6615066812,0.2270076469,0.2270076469,0.2270076469,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Pu,8.0,AB3_hP8_194_c_h:Pm-Pu +mp-979287,TbLuHg2,-2.9149079875,-0.47423865,0.0045379875,0.0045379875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Tb,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Tb +mp-3569,Nd(Sb3Os)4,-5.9978046424,-0.1610027581,0.0138206456,0.0138206456,GGA,Im-3,AB4C12_cI34_204_a_c_g:Nd-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:Nd-Os-Sb +mp-1184284,ErTmCd2,-3.0306014775,-0.3082680392,0.0070569875,0.0070569875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Er-Tm,4.0,A2BC_cF16_225_c_a_b:Cd-Er-Tm +mp-1206321,YbTlBr3,-3.713767371,-2.0015000877,0.0,-0.016476667,GGA,Cmcm,A3BC_oC20_63_cf_c_a:Br-Tl-Yb,,A3BC_oC20_63_cf_c_a:Br-Tl-Yb +mp-1198252,La2Sb4Ir3,-6.6445661797,-0.7664193231,0.0315154149,0.0315154149,GGA,Pnma,A3B2C4_oP36_62_3c_2c_4c:Ir-La-Sb,36.0,A3B2C4_oP36_62_3c_2c_4c:Ir-La-Sb +mp-1211358,LaSbIr,-6.8618888992,-0.8940747242,0.048333979,0.048333979,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-La-Sb,12.0,ABC_oP12_62_c_c_c:Ir-La-Sb +mp-650513,Ca3(InAs2)2,-4.1510902411,-0.8003523833,0.0,-0.02341825,GGA,Pnnm,A4B3C2_oP18_58_2g_ag_g:As-Ca-In,18.0,"Invalid WP multiplicities - A4B3C2_oP18_58_6g_ag_g:As-Ca-In, expected Ca3(InAs6)2 to be Ca3(InAs2)2" +mp-1219295,SmGdCo17,-7.4290608758,-0.0797918816,0.0,-0.000554368,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Co-Gd-Sm,19.0,A17BC_hR57_160_2a3bc_a_a:Co-Gd-Sm +mp-1205489,Er7(TeRh)2,-5.6977327891,-0.8805274076,0.0287656849,0.0287656849,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Er-Rh-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Er-Rh-Te +mp-1224255,InSnCl3,-3.717824643,-1.25645153,0.047382566,0.0331559581,GGA,Fmm2,A3BC_oF160_42_2a2cd4e_cde_2abcd:Cl-In-Sn,40.0,"Invalid WP multiplicities - A3BC_oF160_42_2a4cd15e_2cd2e_2abcd:Cl-In-Sn, expected In7(SnCl9)4 to be InSnCl3" +mp-998567,InSnCl3,-3.765207209,-1.303834096,0.0,-0.0142266079,GGA,R-3,A3BC_hR30_148_f_c_c:Cl-In-Sn,10.0,A3BC_hR30_148_f_c_c:Cl-In-Sn +mp-1212110,InSn2Cl5,-3.8327700069,-1.3310811644,0.0096630466,0.0096630466,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-In-Sn,32.0,A5BC2_mP32_14_5e_e_2e:Cl-In-Sn +mp-1224544,Hf5Sc5Ge6,-7.5670621638,-0.7429085509000001,0.0189399194,0.0189399194,GGA,Amm2,A6B5C5_oC32_38_abde_ade_bf:Ge-Hf-Sc,16.0,A6B5C5_oC32_38_abde_ade_bf:Ge-Hf-Sc +mp-1224337,HfScGe4,-6.3365234783,-0.5395618858,0.0,-0.0173346892,GGA,Amm2,A4BC_oC12_38_2a2b_a_b:Ge-Hf-Sc,6.0,A4BC_oC12_38_2a2b_a_b:Ge-Hf-Sc +mp-30595,CuSnRh2,-6.0577664575,-0.3484178912,0.0,-0.0764369912,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Cu-Rh-Sn +mp-1223965,In3BiTe4,-3.446078285,-0.3624827983,0.1223374314,0.1223374314,GGA,I422,AB3C4_tI16_97_a_bc_j:Bi-In-Te,8.0,AB3C4_tI16_97_a_bc_j:Bi-In-Te +mp-1224344,InBi3Te4,-3.7747582408,-0.4189614042,0.0341839768,0.0341839768,GGA,Pm,A3BC4_mP24_6_4a5b_2ab_6a6b:Bi-In-Te,24.0,A3BC4_mP24_6_4a5b_2ab_6a6b:Bi-In-Te +mp-862369,Sc2IrRu,-8.538541265,-0.8440975325000001,0.0,-0.043326805,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Sc +mp-1199966,HoNiSn2,-5.1610975906,-0.5656752756,0.0,-0.0371276793,GGA,Pnma,ABC2_oP48_62_3c_3c_6c:Ho-Ni-Sn,48.0,ABC2_oP48_62_3c_3c_6c:Ho-Ni-Sn +mp-1224552,Ho4NiSn8,-4.8659053415,-0.5438786492000001,0.0290993667,0.0290993667,GGA,Pmm2,A4BC8_oP13_25_abcd_a_2a2b2c2d:Ho-Ni-Sn,13.0,A4BC8_oP13_25_abcd_a_2a2b2c2d:Ho-Ni-Sn +mp-1189081,Ho6Ni2Sn,-5.1946556494,-0.4097336011,0.0219103586,0.0219103586,GGA,Immm,A6B2C_oI36_71_lmn_fg_ab:Ho-Ni-Sn,18.0,A6B2C_oI36_71_lmn_fg_ab:Ho-Ni-Sn +mp-1078261,Ho2Ni2Sn,-5.547763425,-0.600830834,0.0,-0.008159891,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ho-Ni-Sn,10.0,A2B2C_tP10_127_h_g_a:Ho-Ni-Sn +mp-1212090,HoNiSn4,-4.7401318117,-0.3399929833,0.0371238671,0.0371238671,GGA,Cmmm,ABC4_oC24_65_g_h_acg2h:Ho-Ni-Sn,12.0,ABC4_oC24_65_g_h_acg2h:Ho-Ni-Sn +mp-31176,HoNiSn,-5.4568528433,-0.6661470417,0.0050078544,-0.0809409003,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Ho-Ni-Sn +mp-1079003,HoNiSn,-5.4618606978,-0.6711548961,0.0,-0.0859487547,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Ni-Sn,9.0,ABC_hP9_189_f_ad_g:Ho-Ni-Sn +mp-1106288,Zr5Sb3Se,-7.4681615922,-0.9546706647,0.0,-0.0013705994,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Sb-Se-Zr,18.0,A3BC5_hP18_193_g_b_dg:Sb-Se-Zr +mp-983559,CePmZn2,-3.5500138275,-0.2492341531,0.0,-0.0273532994,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Pm-Zn +mp-1096370,LiGe2Ir,-3.14051189,1.8578412992,2.1891177903,2.1891177903,GGA,Immm,A2BC_oI8_71_e_a_b:Ge-Ir-Li,4.0,A2BC_oI8_71_e_a_b:Ge-Ir-Li +mp-1185318,LiGe2Ir,-5.315947795,-0.3175946058,0.0136818853,0.0136818853,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ge-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Ge-Ir-Li +mp-861882,LiGeIr2,-6.46458817,-0.4123833996,0.0,-0.1142937732,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ir-Li,4.0,AB2C_cF16_225_a_c_b:Ge-Ir-Li +mp-22490,Sc3(NiGe)4,-6.24907295,-0.7390669995,0.0,-0.0146252411,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Ni-Sc,11.0,A4B4C3_oI22_71_eg_n_bf:Ge-Ni-Sc +mp-569969,Sc6Ni18Ge11,-6.099383383,-0.5882239180000001,0.0,-0.0178144433,GGA,Immm,A11B18C6_oI140_71_abfglmo_hj2l2m2o_2iln:Ge-Ni-Sc,70.0,"Invalid WP multiplicities - A11B18C6_oI140_71_abf2g4l3m4o_2h2j7l8m12o_3i2l3n:Ge-Ni-Sc, expected Sc13(Ni41Ge17)2 to be Sc6Ni18Ge11" +mp-1196023,Sc3Ni11Ge4,-6.0924846594,-0.4774278697,0.0462340042,0.0462340042,GGA,P6_3/mmc,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Sc,36.0,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Sc +mp-1219451,Sc3Ni11Ge4,-6.1270337544,-0.5119769647,0.0116849092,0.0116849092,GGA,P6_3/mmc,A4B11C3_hP36_194_ag_fhk_h:Ge-Ni-Sc,36.0,A4B11C3_hP36_194_ag_fhk_h:Ge-Ni-Sc +mp-570547,Sc6Ni16Ge7,-6.2209460541,-0.6058358302,0.0,-0.0267127951,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Ge-Ni-Sc,29.0,"Invalid WP multiplicities - A7B16C6_cF116_225_a2d_10f_e:Ge-Ni-Sc, expected Sc6Ni80Ge13 to be Sc6Ni16Ge7" +mp-915280,Sc9Ni5Ge8,-6.3517061791,-0.7663821707,0.0595860242,0.0595860242,GGA,Imm2,A8B5C9_oI44_44_2a3c_a2c_a4b2c:Ge-Ni-Sc,22.0,"Invalid WP multiplicities - A8B5C9_oI44_44_2a6c_a4c_a4b3c:Ge-Ni-Sc, expected Sc11Ni9Ge14 to be Sc9Ni5Ge8" +mp-637866,Sc9Ni5Ge8,-6.3509662477,-0.7656422393000001,0.0603259555,0.0603259555,GGA,Immm,A8B5C9_oI44_71_eim_bm_a2fm:Ge-Ni-Sc,22.0,"Invalid WP multiplicities - A8B5C9_oI44_71_2e2i4m_b2m_a4f3m:Ge-Ni-Sc, expected Sc7Ni3Ge8 to be Sc9Ni5Ge8" +mp-29802,Sc(NiGe)6,-5.6871070865,-0.3985335238,0.0288762982,0.0288762982,GGA,P6/mmm,A6B6C_hP52_191_cdeilm_no_ag:Ge-Ni-Sc,52.0,A6B6C_hP52_191_cdeilm_no_ag:Ge-Ni-Sc +mp-7066,ScNiGe,-6.3962015683,-0.8176570217,0.0,-0.0814656137,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Sc,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Sc +mp-984355,CeErMg2,-3.4329443,-0.0076022837,0.0369910175,0.0369910175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Er-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Er-Mg +mp-1183787,CeEr3,-4.8267990575,0.0822623388,0.0822623388,0.0822623388,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Er,4.0,AB3_tI8_139_a_bd:Ce-Er +mp-1183865,CeEr3,-4.8452926588,0.0637687375,0.0637687375,0.0637687375,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Er,8.0,AB3_hP8_194_c_h:Ce-Er +mp-1183761,CeEr3,-4.84282636,0.0662350363,0.0662350363,0.0662350363,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Er,4.0,AB3_cP4_221_a_c:Ce-Er +mp-1226960,CeEr,-5.18877532,0.0616286625,0.0616286625,0.0616286625,GGA,R3m,AB_hR18_160_3a_3a:Ce-Er,6.0,AB_hR18_160_3a_3a:Ce-Er +mp-1226617,CeEr,-5.15296249,0.0974414925,0.0974414925,0.0974414925,GGA,P-6m2,AB_hP2_187_a_d:Ce-Er,2.0,AB_hP2_187_a_d:Ce-Er +mp-1183435,Ce3Er,-5.5019673575,0.0897792112,0.0897792112,0.0897792112,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Er,4.0,A3B_tI8_139_ad_b:Ce-Er +mp-1183840,Ce3Er,-5.4952763375,0.0964702312,0.0964702312,0.0964702312,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Er,4.0,A3B_cP4_221_c_a:Ce-Er +mp-568468,Yb5(AlSb3)2,-3.9318747188,-0.8577823727,0.0,-0.013563777,GGA,Pbam,A2B6C5_oP26_55_h_g2h_a2g:Al-Sb-Yb,,"Invalid WP multiplicities - A2B6C5_oP26_55_h_2g6h_2a6g:Al-Sb-Yb, expected Yb7AlSb8 to be Yb5(AlSb3)2" +mp-1196426,Yb11AlSb9,-3.8116957312,-1.0573015374,0.0,-0.009090683,GGA,Iba2,AB9C11_oI84_45_a_b4c_a5c:Al-Sb-Yb,,AB9C11_oI84_45_a_b4c_a5c:Al-Sb-Yb +mp-1196138,Yb14AlSb11,-3.7884537279,-1.068488136,0.0,-0.0125602145,GGA,I4_1/acd,AB11C14_tI208_142_a_bf2g_e3g:Al-Sb-Yb,,AB11C14_tI208_142_a_bf2g_e3g:Al-Sb-Yb +mp-10872,HfAlAu2,-5.56416642,-0.501534205,0.0183374133,0.0183374133,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Hf,4.0,AB2C_cF16_225_a_c_b:Al-Au-Hf +mp-1191450,Hf3AlAu2,-7.1116219746,-0.4174708213,0.0842117927,0.0842117927,GGA,Fd-3m,AB2C3_cF96_227_c_e_f:Al-Au-Hf,24.0,AB2C3_cF96_227_c_e_f:Al-Au-Hf +mp-1224327,Hf2Al3Au,-6.2596580617,-0.5221601367,0.0,-0.0505877337,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Au-Hf,6.0,A3BC2_hR18_166_d_a_c:Al-Au-Hf +mp-1080545,ThAlCo,-6.17691904,-0.087668415,0.4367308889,0.3563637933,GGA,Amm2,ABC_oC18_38_ad_be_bd:Al-Co-Th,9.0,ABC_oC18_38_ad_be_bd:Al-Co-Th +mp-1206017,ThAlCo,-6.6136499289,-0.5243993039,0.0,-0.0803670956,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Co-Th,9.0,ABC_hP9_189_f_bc_g:Al-Co-Th +mp-1217301,ThAl2Co3,-6.4449419483,-0.4066147325,0.12006157,0.12006157,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Al-Co-Th,6.0,A2B3C_oC12_65_e_ah_c:Al-Co-Th +mp-1097325,Sc2AlPt,-3.7522030975,1.8682087425,2.7238622756,2.7238622756,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Pt-Sc +mp-973153,ScAlPt2,-6.67002246,-1.1149445662,0.0199590544,0.0199590544,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Pt-Sc +mp-1216745,Tm(AlCu)6,-4.3170049038,-0.3520410251,0.0,-0.0674869999999999,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Tm,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Tm +mp-865864,Tm(Al2Cu)4,-4.2058378538,-0.2952787197,0.0,-0.0108691228,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Tm,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cu-Tm, expected Tm(Al3Cu)4 to be Tm(Al2Cu)4" +mp-1216551,TmAlCu,-4.50276398,-0.3958913389,0.0726301056,0.0047658947,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Tm,6.0,ABC_oI12_74_a_c_e:Al-Cu-Tm +mp-865402,TmAlCu,-4.5753940856,-0.4685214444,0.0,-0.0678642109,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Tm,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Tm +mp-1216610,TmAlCu4,-4.3517160467,-0.2486763911,0.0491773487,0.0491773487,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Tm,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Tm +mp-980195,Tm6Al7Cu16,-4.4720518624,-0.3802811703,0.0,-0.0413868156,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Tm,29.0,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Tm +mp-567243,Tm(CrSi)2,-7.327886906,-0.4013736213,0.1054435028,0.1054435028,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-Tm +mp-1025045,TiGaPd,-6.0155453933,-0.6477221103,0.0,-0.0517703583,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ga-Pd-Ti,6.0,ABC_hP6_194_c_d_a:Ga-Pd-Ti +mp-866140,TiGaPd2,-5.978947685,-0.6581097702,0.0,-0.0072598194,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Pd-Ti +mp-867963,Pu(SiPt)2,-8.355190876,-0.90304267,0.0,-0.2581832746,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Pt-Pu-Si,10.0,"Invalid WP multiplicities - A2BC2_tP10_129_ac_c_b2c:Pt-Pu-Si, expected PuSi3Pt2 to be Pu(SiPt)2" +mp-680426,Pu31Pt20,-11.6734798444,-0.620035636,0.0,-0.0035418654,GGA,I4/mcm,A20B31_tI204_140_ac2fh3l_b2gh3m:Pt-Pu,102.0,"Invalid WP multiplicities - A20B31_tI204_140_2a2c8f4h18l_2b7g4h30m:Pt-Pu, expected Pu66Pt25 to be Pu31Pt20" +mp-7751,PuPt5,-7.9565620217,-0.5193112,0.0,-0.04220988,GGA,P6/mmm,A5B_hP6_191_cg_a:Pt-Pu,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Pt-Pu, expected PuPt8 to be PuPt5" +mp-1080388,PuPt5,-7.9042275133,-0.4669766917,0.0523345083,0.0101246283,GGA,F-43m,A5B_cF24_216_ae_c:Pt-Pu,6.0,A5B_cF24_216_ae_c:Pt-Pu +mp-615820,Pu2Pt,-12.0381731458,-0.5025698192,0.0244604714,0.0244604714,GGA,P2_1/m,AB2_mP12_11_2e_4e:Pt-Pu,12.0,"Invalid WP multiplicities - AB2_mP12_11_4e_6e:Pt-Pu, expected Pu3Pt2 to be Pu2Pt" +mp-1206869,Pu2(SiPt)3,-6.2353966063,1.6427322325,2.497132069,2.497132069,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Pt-Pu-Si,8.0,A3B2C3_tP8_123_ag_g_bg:Pt-Pu-Si +mp-1065793,PuPt,-10.9555153825,-0.7860295575,0.0,-0.137178037,GGA,Cmcm,AB_oC8_63_c_c:Pt-Pu,4.0,AB_oC8_63_c_c:Pt-Pu +mp-27659,PuPt4,-8.112110032,-0.40163571,0.196211802,0.196211802,GGA,Cmmm,A4B_oC10_65_fg_a:Pt-Pu,5.0,A4B_oC10_65_fg_a:Pt-Pu +mp-20644,PuPt2,-9.0429161683,-0.239547845,0.4995633275,0.4995633275,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Pu,6.0,A2B_cF24_227_c_b:Pt-Pu +mp-1188112,PuPt3,-8.658599985,-0.5382904125,0.1773615675,0.0477003769,GGA,I-4,A3B_tI32_82_3g_g:Pt-Pu,16.0,A3B_tI32_82_3g_g:Pt-Pu +mp-1186823,PuPt3,-8.7989178325,-0.67860826,0.03704372,-0.0926174706,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pt-Pu,8.0,A3B_hP8_194_h_c:Pt-Pu +mp-2523,PuPt3,-8.8359615525,-0.71565198,0.0,-0.1296611906,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Pu,4.0,A3B_cP4_221_c_a:Pt-Pu +mp-669556,Pu5Pt3,-11.7768288837,-0.5827549325,0.0101541444,0.0101541444,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Pu,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_3d3g:Pt-Pu, expected Pu5Pt to be Pu5Pt3" +mp-1105794,Pu2Si5Pt3,-7.779813405,-0.392246728,0.3508968175,0.3508968175,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Pt-Pu-Si,20.0,A3B2C5_oI40_72_aj_j_bfj:Pt-Pu-Si +mp-972486,Sm3Ti,-5.273403925,0.2394086804,0.2394086804,0.2394086804,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Ti,4.0,A3B_tI8_139_ad_b:Sm-Ti +mp-1209147,Sm6Ti4Al43,-4.5112128673,-0.3422837056,0.0,-0.0216737792,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-Ti +mp-685415,Na3SmBr6,-3.8757101314,-2.0752769319,0.0002733396,0.0002733396,GGA,P1,A6B3C_aP50_1_30a_15a_5a:Br-Na-Sm,50.0,A6B3C_aP50_1_30a_15a_5a:Br-Na-Sm +mp-1224942,Gd3ErNi4,-9.1644437,-0.4248646688,0.0033913559,0.0033913559,GGA,Pmm2,AB3C4_oP8_25_a_bcd_abcd:Er-Gd-Ni,8.0,AB3C4_oP8_25_a_bcd_abcd:Er-Gd-Ni +mp-972410,TmLuPd2,-5.7991427225,-0.9600053317,0.00187832,0.00187832,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Lu-Pd-Tm +mp-866299,ErTaOs2,-10.002466485,-0.28240866,0.0500620842,0.0500620842,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Er-Os-Ta +mp-984707,ErTa3,-9.672096135,0.36316679,0.36316679,0.36316679,GGA,Fm-3m,AB3_cF16_225_a_bc:Er-Ta,4.0,AB3_cF16_225_a_bc:Er-Ta +mp-1184847,HoLuIr2,-7.62089446,-0.9258375225,0.0234132575,0.0234132575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ir-Lu,4.0,AB2C_cF16_225_a_c_b:Ho-Ir-Lu +mp-28983,Pd(PbBr3)2,-3.5661809172,-1.1302535917,0.0195337256,0.0195337256,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Br-Pb-Pd,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_4e_e_a:Br-Pb-Pd, expected Pd(PbBr4)2 to be Pd(PbBr3)2" +mp-1080654,LaPdPb,-5.3798838456,-0.7703718506,0.0,-0.0485829809,GGA,P-62m,ABC_hP9_189_f_g_ad:La-Pb-Pd,9.0,ABC_hP9_189_f_g_ad:La-Pb-Pd +mp-1096086,LaPd2Pb,-3.7242355775,1.0278688712,1.733792845,1.733792845,GGA,Immm,ABC2_oI8_71_a_b_e:La-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:La-Pb-Pd +mp-20301,La2Pd2Pb,-5.630580165,-0.8416951850000001,0.0,-0.0467596637,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:La-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:La-Pb-Pd +mp-1225230,EuCdAg,-5.005998345,-0.3351824906,0.0,-0.0074011692,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Cd-Eu,6.0,ABC_mC12_12_i_i_i:Ag-Cd-Eu +mp-1184330,EuCdAg2,-4.4433282625,-0.2320773708,0.0280903706,0.0280903706,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Eu,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Eu +mp-862968,PmTlTe2,-4.396951375,-1.047002061,0.0,-0.7671527515000001,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Te-Tl,4.0,AB2C_cF16_225_a_c_b:Pm-Te-Tl +mp-1077547,TmNi4Au,-5.5570180567000005,-0.4119740328,0.0,-0.0198557075,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Ni-Tm,6.0,AB4C_cF24_216_a_e_c:Au-Ni-Tm +mp-1184828,HoTmIn2,-4.070164145,-0.4297612067,0.0,-0.0097279199,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-In-Tm +mp-631522,LaOs2Rh,-7.9300333225,0.7587291362,1.1286553,1.1286553,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Os-Rh,4.0,AB2C_cF16_225_a_c_b:La-Os-Rh +mp-1185515,LuMg2Sc,-3.54705918,-0.0335642487,0.009519205,0.009519205,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Sc,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Sc +mp-1202112,Gd3Co4Sn13,-6.425483282,-0.2861796813,0.0350496513,0.0350496513,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Gd-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Co-Gd-Sn +mp-1078772,TmAgGe,-4.6102594178,-0.6331196572000001,0.0,-0.07387182,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Tm,9.0,ABC_hP9_189_f_bc_g:Ag-Ge-Tm +mp-1077915,HgAsPd5,-4.7136461943,-0.3047593629,0.0,-0.0329267318,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-Hg-Pd,7.0,ABC5_tP7_123_b_c_ai:As-Hg-Pd +mp-973071,Hg3As,-1.1176644025,0.2748754725,0.2748754725,0.2748754725,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Hg,4.0,AB3_tI8_139_a_bd:As-Hg +mp-973599,Hg3As,-1.1158031987,0.2767366763,0.2767366763,0.2767366763,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Hg,8.0,AB3_hP8_194_c_h:As-Hg +mp-1214327,Ce2(Ga3Ru)3,-5.3207045696,-0.5391152745000001,0.0,-0.0607337011,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Ru,28.0,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Ru +mp-1093558,ZrMnRh2,-5.8109032525,2.298679663,2.8685146125000003,2.8655904430000003,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Mn-Rh-Zr +mp-1188022,ZrMnRh2,-8.679417865,-0.5698349495,0.0,-0.0029241695,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Zr +mp-1097566,CaHgPd2,-2.167175135,1.0000858313,1.5300173055,1.5300173055,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Hg-Pd,4.0,ABC2_oI8_71_a_b_e:Ca-Hg-Pd +mp-1097452,CaHg2Pd,-1.0694935725,0.8787170325,1.342452174,1.342452174,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Pd,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Pd +mp-1097426,Ca2HgPd,-1.52341093,0.8502795537000001,1.4638932625,1.4638932625,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Hg-Pd,4.0,A2BC_oI8_71_e_a_b:Ca-Hg-Pd +mp-1215455,Zr2As3Se,-6.775951885,-1.0145072262,0.0250381306,0.0250381306,GGA,P4mm,A3BC2_tP6_99_ac_b_ab:As-Se-Zr,6.0,A3BC2_tP6_99_ac_b_ab:As-Se-Zr +mp-1220191,Pr9Ga5Se21,-5.4499812846,-1.6904734863000002,0.0138772042,0.0138772042,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-Pr-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-Pr-Se, expected Pr24Ga5Se51 to be Pr9Ga5Se21" +mp-1222797,LaNdAl6,-4.457118185,-0.4349169953,0.0066593944,0.0066593944,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-La-Nd,8.0,A6BC_hP8_187_jk_a_d:Al-La-Nd +mp-1222785,LaNdAl4,-4.611210215,-0.4968005721,0.0046825383,0.0046825383,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-Nd,6.0,A4BC_cF24_216_e_a_c:Al-La-Nd +mp-1223083,La3Nd3Al22,-4.372258345,-0.3895750638,0.0,-0.0002301271,GGA,Cm,A22B3C3_mC56_8_22a_3a_3a:Al-La-Nd,28.0,A22B3C3_mC56_8_22a_3a_3a:Al-La-Nd +mp-1190029,Sm3Os,-6.5040563006,-0.1582748419,0.0,-0.0898537131,GGA,Pnma,AB3_oP16_62_c_cd:Os-Sm,16.0,AB3_oP16_62_c_cd:Os-Sm +mp-570007,SmOs2,-9.2402300083,-0.1824563433,0.0,-0.1121119692,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Sm,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Os-Sm, expected SmOs4 to be SmOs2" +mp-1208935,Sm3(Al3Os)4,-6.0572388858,-0.5829158287,0.0,-0.0587483629,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Sm,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Sm +mp-1096052,LiAl2Ru,-2.5605340025,2.1080852642,2.6472118817,2.6472118817,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Li-Ru,4.0,A2BC_oI8_71_e_a_b:Al-Li-Ru +mp-1264151,LiAl2Ru,-2.56581653,2.1028027367,2.6419293542,2.6419293542,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Li-Ru,4.0,A2BC_oI8_71_e_a_b:Al-Li-Ru +mp-1208645,SrZnCl2,-3.4922334331,-1.8306558373,0.3402957544,0.3402957544,GGA,Fd-3m,A2BC_cF64_227_e_c_d:Cl-Sr-Zn,16.0,A2BC_cF64_227_e_c_d:Cl-Sr-Zn +mp-23034,SrZnCl4,-3.9370016675,-2.2131043836,0.0126465725,0.0126465725,GGA,I4_1/a,A4BC_tI24_88_f_a_b:Cl-Sr-Zn,12.0,A4BC_tI24_88_f_a_b:Cl-Sr-Zn +mp-1187270,Tb2ZnIr,-5.461519605,-0.6197921075,0.0287609862,0.0287609862,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Tb-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Tb-Zn +mp-865414,Lu2ZnPt,-4.9491322825,-0.85593779,0.0046232561,0.0046232561,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pt-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Pt-Zn +mp-1210625,LuZnPt,-4.9495204583,-0.9989113083,0.0,-0.0810507194,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Pt-Zn,12.0,ABC_oP12_62_c_c_c:Lu-Pt-Zn +mp-1218878,Sm9Al5Se21,-5.6435106087,-1.7975307403,0.0,-0.0002523842,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Al-Se-Sm,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Al-Se-Sm, expected Sm24Al5Se51 to be Sm9Al5Se21" +mp-1022712,CsMg6Zn,-1.2919813088,0.1776219765,0.2244233985,0.2244233985,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-Zn +mp-1022718,CsMg6Zn,-1.2121968538,0.2574064315,0.3042078535,0.3042078535,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Zn,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Zn +mp-1028016,CsMg14Zn,-1.3668112519,0.1681304158,0.2047621186,0.2047621186,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Zn, expected CsMg18Zn to be CsMg14Zn" +mp-1028000,CsMg14Zn,-1.3552519475,0.1796897201,0.216321423,0.216321423,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Zn, expected CsMg26Zn to be CsMg14Zn" +mp-1219656,Rb(SiPt)4,-5.8887713622,-0.6702891986,0.0,-0.1116373627,GGA,I4,A4BC4_tI18_79_c_a_c:Pt-Rb-Si,9.0,A4BC4_tI18_79_c_a_c:Pt-Rb-Si +mp-1216648,TiTeSe,-6.05737156,-1.2124684308,0.0,-0.0102247983,GGA,P3m1,ABC_hP3_156_a_b_c:Se-Te-Ti,3.0,ABC_hP3_156_a_b_c:Se-Te-Ti +mp-1217118,Ti3(TeSe)2,-6.4925066757,-1.211805134,0.0103013493,0.0103013493,GGA,C2/m,A2B2C3_mC14_12_i_i_ai:Se-Te-Ti,7.0,A2B2C3_mC14_12_i_i_ai:Se-Te-Ti +mp-1025281,Ti2NiSe4,-6.2820563957,-1.2028040209,0.0197773757,0.0197773757,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-Se-Ti,7.0,AB4C2_mC14_12_a_2i_i:Ni-Se-Ti +mp-1219928,PdPtAu,-4.8414940433,0.0001383333,0.0550796156,0.0550796156,GGA,P3m1,ABC_hP3_156_a_b_c:Au-Pd-Pt,3.0,ABC_hP3_156_a_b_c:Au-Pd-Pt +mp-631463,CuTcBi,-5.43519746,0.6649141217,0.6649141217,0.6649141217,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Cu-Tc,3.0,ABC_cF12_216_a_b_c:Bi-Cu-Tc +mp-8221,ZrAsRu,-8.3493904044,-0.8556498794,0.0,-0.0941302194,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Ru-Zr,9.0,ABC_hP9_189_ad_g_f:As-Ru-Zr +mp-1185462,LiThRh2,-6.63921742,-0.6263682058000001,0.0,-0.0106992083,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Th,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Th +mp-1097354,Ta2MoRh,-6.44124113,4.04013718,4.3078723334,4.3078723334,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Rh-Ta,4.0,ABC2_oI8_71_a_b_e:Mo-Rh-Ta +mp-504957,RbReCl4,-4.9897118822,-1.5198438993,0.0,-0.0159360278,GGA,Cmcm,A4BC_oC72_63_2c2fgh_ce_cf:Cl-Rb-Re,36.0,"Invalid WP multiplicities - A4BC_oC72_63_4c7f4g6h_2c2e_2c2f:Cl-Rb-Re, expected Rb3Re3Cl25 to be RbReCl4" +mp-974856,Rb3Re,-2.2897237325,1.5568086181,1.5568086181,1.5568086181,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Re,4.0,A3B_tI8_139_ad_b:Rb-Re +mp-1065428,Rb3Re,-2.27103696,1.5754953906,1.5754953906,1.5754953906,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Re,4.0,A3B_cP4_221_c_a:Rb-Re +mp-1186857,Rb3Re,-2.28920479,1.5573275606,1.5573275606,1.5573275606,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Re,4.0,A3B_cF16_225_ac_b:Rb-Re +mp-1209274,RbRe,-4.260395635,2.4521349937,2.4521349937,2.4521349937,GGA,I4_1/amd,AB_tI16_141_c_d:Rb-Re,8.0,AB_tI16_141_c_d:Rb-Re +mp-1186476,Pm2TlSn,-4.4764684975,-0.5081435858,0.0,-0.1051391642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Sn-Tl,4.0,A2BC_cF16_225_c_a_b:Pm-Sn-Tl +mp-13302,LuSnAu,-4.6872953917,-0.7524939333,0.0632480117,-0.0562809442,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Lu-Sn,6.0,ABC_hP6_186_b_a_b:Au-Lu-Sn +mp-5177,LuSnAu,-4.7505434033,-0.8157419450000001,0.0,-0.1195289558,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Lu-Sn,3.0,ABC_cF12_216_c_a_b:Au-Lu-Sn +mp-1210987,Lu2SnAu2,-4.527111977,-0.607264598,0.243990157,0.243990157,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Au-Lu-Sn,10.0,A2B2C_tP10_127_h_g_a:Au-Lu-Sn +mp-5068,DyZrSb,-6.62452687,-0.8633639667,0.0,-0.0450912667,GGA,I4/mmm,ABC_tI12_139_e_e_c:Dy-Sb-Zr,6.0,ABC_tI12_139_e_e_c:Dy-Sb-Zr +mp-1183609,CaEuTl2,-4.6976228,-0.4506508067,0.0,-0.086638814,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Tl,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Tl +mp-1018936,PrSbTe,-5.409421765,-1.3916841356,0.0,-0.1292279154,GGA,P4/nmm,ABC_tP6_129_c_a_c:Pr-Sb-Te,6.0,ABC_tP6_129_c_a_c:Pr-Sb-Te +mp-865302,Tm2CdIn,-3.53335883,-0.3767977458,0.0,-0.0181601025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Tm,4.0,ABC2_cF16_225_a_b_c:Cd-In-Tm +mp-1097278,Zr2TcNi,-5.1742871125,3.1347571087,3.523818845,3.4879186134,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Ni-Tc-Zr +mp-1188020,Zr2TcNi,-8.6981059575,-0.3890617362,0.0,-0.0359002316,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Ni-Tc-Zr +mp-567114,Sr(BiPd)2,-4.565598258,-0.6195511913,0.0,-0.0788438895,GGA,P2_1/m,A2B2C_mP10_11_2e_2e_e:Bi-Pd-Sr,10.0,A2B2C_mP10_11_2e_2e_e:Bi-Pd-Sr +mp-1078567,Sr(BiPd)2,-4.560013661,-0.6139665943,0.005584597,-0.0732592925,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Bi-Pd-Sr,10.0,A2B2C_tP10_129_ac_bc_c:Bi-Pd-Sr +mp-1207133,Sr2(BiPd)3,-2.6599023275,1.1451101383,1.7973099528,1.7973099528,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Bi-Pd-Sr,8.0,A3B3C2_tP8_123_ag_bg_g:Bi-Pd-Sr +mp-1190072,Yb5CdCu2,-2.3762366056,-0.2738185431,0.0,-0.0299913806,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Cd-Cu-Yb,,AB2C5_tI32_140_a_h_cl:Cd-Cu-Yb +mp-12009,YbCdCu4,-3.39358054,-0.2503597533,0.0,-0.0227135919,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Cu-Yb,,AB4C_cF24_216_a_e_c:Cd-Cu-Yb +mp-1203297,Sc5IrCl9,-6.060180391,-2.2510064147,0.0,-0.0283245307,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Cl-Ir-Sc,120.0,A9BC5_tI240_88_9f_f_5f:Cl-Ir-Sc +mp-1097074,LiCaTl2,-1.046650855,1.113301405,1.45079201,1.45079201,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Li-Tl,4.0,ABC2_oI8_71_a_b_e:Ca-Li-Tl +mp-867167,LiCa2Tl,-2.35645609,-0.2857646467,0.0,-0.0502020313,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Li-Tl +mp-1097332,Li2CaTl,-0.93601822,1.11050397,1.3681084175,1.3681084175,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Li-Tl,4.0,AB2C_oI8_71_a_e_b:Ca-Li-Tl +mp-1185010,Li2CaTl,-2.2949516450000003,-0.248429455,0.0091749925,0.0091749925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Ca-Li-Tl +mp-1197864,Lu3Ge13Ir4,-5.9335130212,-0.4827155015,0.0072804006,0.0072804006,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Lu,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Lu +mp-1196530,Lu5(Ge5Ir2)2,-6.2163359461,-0.7327165845,0.0,-0.0364371495,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Lu,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Lu +mp-30235,Lu3Ge3Ir2,-6.5667078325,-0.9281073969,0.0,-0.0123813292,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Ir-Lu,16.0,"Invalid WP multiplicities - A3B2C3_oC32_63_2c2f_f_c2f:Ge-Ir-Lu, expected Lu5(Ge3Ir)2 to be Lu3Ge3Ir2" +mp-10999,LuGeIr,-6.95224554,-0.9581080217,0.0,-0.096707338,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Lu,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Lu +mp-1093622,Al2TcPt,-3.845532365,2.1351986162,2.9120806638000003,2.9120806638000003,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Pt-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Pt-Tc +mp-1097504,MgSnRu2,-3.28318295,2.7564812962,2.8912626275,2.8912626275,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ru-Sn,4.0,AB2C_oI8_71_a_e_b:Mg-Ru-Sn +mp-1185980,MgSnRu2,-6.1701169575,-0.1304527113,0.00432862,0.00432862,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-Sn +mp-20202,MgSn4Ru,-4.692257075,-0.2067620733,0.0,-0.0431645488,GGA,I4/mcm,ABC4_tI24_140_c_a_l:Mg-Ru-Sn,12.0,ABC4_tI24_140_c_a_l:Mg-Ru-Sn +mp-865359,Tm2MgIn,-3.610058185,-0.2841495283,0.0,-0.0116200398,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Tm,4.0,ABC2_cF16_225_a_b_c:In-Mg-Tm +mp-20979,TmMgIn,-3.2936861356,-0.3510864011,0.0,-0.0727826851,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Tm,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:In-Mg-Tm, expected Tm3Mg3In5 to be TmMgIn" +mp-1183859,CeHoMg2,-3.43865825,-0.0096437188,0.04133551,0.04133551,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Ho-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Ho-Mg +mp-1208006,Tm4(Al8Pd3)3,-4.8730394546,-0.6996314032000001,0.0,-0.0305016555,GGA,P-1,A24B9C4_aP37_2_12i_a4i_2i:Al-Pd-Tm,37.0,A24B9C4_aP37_2_12i_a4i_2i:Al-Pd-Tm +mp-1207996,Tm2(Al3Pd)3,-4.8298393607,-0.6725894502,0.0063087655,0.0063087655,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Tm +mp-1095667,TmAlPd,-5.3639002975,-0.8968026097,0.0,-0.1042199588,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pd-Tm,12.0,ABC_oP12_62_c_c_c:Al-Pd-Tm +mp-973430,LuScZn2,-3.7072729075,-0.3640461962,0.00734762,0.00734762,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Sc-Zn +mp-1184106,Er2AlCd,-3.79759022,-0.3466144175,0.0179018556,0.0179018556,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Er,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Er +mp-1187586,Tm2AlRu,-5.90441375,-0.4115014458,0.0903009065,0.0903009065,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Al-Ru-Tm +mp-1208023,Tm3(Al3Ru)4,-5.6808056839,-0.6559621897,0.0,-0.0327974091,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Tm,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Tm +mp-1219911,PrHoAl4,-4.5463028083,-0.4886998175,0.0126748608,0.0126748608,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ho-Pr,6.0,A4BC_cF24_216_e_a_c:Al-Ho-Pr +mp-1212881,Er4(Al8Pd3)3,-4.8887912116,-0.7054498211,0.0,-0.0297329755,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Er-Pd,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Er-Pd +mp-1102820,ErAlPd,-5.3906215667,-0.8928960833,0.0,-0.106006012,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Er-Pd,12.0,ABC_oP12_62_c_c_c:Al-Er-Pd +mp-1078545,ErAlPd,-5.3858982578,-0.8881727744000001,0.0047233089,-0.1012827031,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Er-Pd,9.0,ABC_hP9_189_f_g_bc:Al-Er-Pd +mp-1212854,Er2(Al3Pd)3,-4.8516699382,-0.6812938296000001,0.0034518653,0.0034518653,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Er-Pd,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Er-Pd +mp-862704,ScZn2Pt,-4.3989440925,-0.6681716812,0.0507738567,0.0507738567,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Pt-Sc-Zn +mp-862258,Sc2ZnPt,-5.834415455,-0.83546167,0.0,-0.0208357969,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Pt-Sc-Zn +mp-1077722,ScZnPt,-5.4958086033,-0.941359925,0.0,-0.0867844917,GGA,Cmcm,ABC_oC12_63_c_c_a:Pt-Sc-Zn,6.0,ABC_oC12_63_c_c_a:Pt-Sc-Zn +mp-867768,ScZnPt2,-5.8546650425,-0.9210452037,0.0,-0.0094958108,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Pt-Sc-Zn +mp-10870,Zr5ZnSb3,-7.0473890539,-0.7823612228,0.0,-0.0959652385,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Sb-Zn-Zr,18.0,A3BC5_hP18_193_g_b_dg:Sb-Zn-Zr +mp-1217070,Ti2RePt,-9.3091767725,-0.7325156379000001,0.0,-0.0734288888,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Pt-Re-Ti,4.0,ABC2_tP4_123_a_b_h:Pt-Re-Ti +mp-865877,Ti2RePt,-9.2400517225,-0.6633905879,0.06912505,-0.0043038388,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Pt-Re-Ti +mp-1184843,HoPaTc2,-8.8720398875,-0.1674520325,0.0,-0.0137468462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Ho-Pa-Tc +mp-631946,SnOs2Ru,-8.34265687,0.5920204438000001,0.6697977968000001,0.6697977968000001,GGA,F-43m,A2BC_cF16_216_ac_b_d:Os-Ru-Sn,4.0,A2BC_cF16_216_ac_b_d:Os-Ru-Sn +mp-864793,NdAgAs2,-5.0038417856,-0.7741067242,0.0,-0.0224792185,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-As-Nd,16.0,AB2C_oP16_62_c_2c_c:Ag-As-Nd +mp-10816,NdAgAs2,-4.9985610188,-0.7688259573,0.0052807669,-0.0171984517,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ag-As-Nd,8.0,AB2C_tP8_129_a_bc_c:Ag-As-Nd +mp-4050,Eu(AsRu)2,-8.330449734,-0.7056409960000001,0.0,-0.1191218571,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Eu-Ru,5.0,A2BC2_tI10_139_e_a_d:As-Eu-Ru +mp-1097544,BeGaPd2,-2.83245223,1.4493658969,2.0770356031,2.0770356031,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ga-Pd,4.0,ABC2_oI8_71_a_b_e:Be-Ga-Pd +mp-972412,TmLuIr2,-7.63358049,-0.9651669142,0.019843045,0.019843045,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Ir-Lu-Tm +mp-1095797,HgBiPb2,-1.9227305675,0.9696353412,0.9696353412,0.9696353412,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Pb,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Pb +mp-1227326,BiPb,-3.749893395,0.026674705,0.026674705,0.026674705,GGA,P-6m2,AB_hP2_187_a_d:Bi-Pb,2.0,AB_hP2_187_a_d:Bi-Pb +mp-1227459,BiPb4,-3.715785768,0.022429714,0.022429714,0.022429714,GGA,R-3m,AB4_hR15_166_a_2c:Bi-Pb,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Bi-Pb, expected BiPb6 to be BiPb4" +mp-1183465,Bi3Pb,-3.7514382225,0.0570903925,0.0570903925,0.0570903925,GGA,Fm-3m,A3B_cF16_225_ac_b:Bi-Pb,4.0,A3B_cF16_225_ac_b:Bi-Pb +mp-1097170,Be2IrRu,-3.215289005,3.1826266075,3.56977017,3.5078157488,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Ir-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Ir-Ru +mp-1183419,Be2IrRu,-6.785059175,-0.3871435625,0.0,-0.0619544212,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Ru +mp-1184432,Eu3Lu,-8.7359281075,0.0870608725,0.0870608725,0.0870608725,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Lu,8.0,A3B_hP8_194_h_c:Eu-Lu +mp-645692,Eu(LuSe2)2,-6.9391893146,-2.1845394931,0.0,-0.0103992932,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Lu-Se,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_11c:Eu-Lu-Se, expected EuLu5Se11 to be Eu(LuSe2)2" +mp-867116,BeGaIr2,-6.6046874475,-0.4935931356,0.0,-0.1402921208,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Ga-Ir,4.0,ABC2_cF16_225_a_b_c:Be-Ga-Ir +mp-1186456,Pm2CoNi,-5.722387,-0.12500222,0.0,-0.060504124,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ni-Pm,4.0,ABC2_cF16_225_a_b_c:Co-Ni-Pm +mp-1097303,GaReGe2,-3.8830608275,2.2966089019,2.3340615753,2.3340615753,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ge-Re,4.0,AB2C_oI8_71_a_e_b:Ga-Ge-Re +mp-864960,Dy2CuRh,-5.7338380875,-0.5645660325,0.0158345851,0.0158345851,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Dy-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Dy-Rh +mp-1206479,YbTlCu4,-3.5835378283,-0.2003581439,0.0161857294,0.0161857294,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Tl-Yb,,A4BC_cF24_216_e_a_c:Cu-Tl-Yb +mp-1187546,Tl3Cu,-2.5068146475,0.28996938,0.28996938,0.28996938,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Tl,4.0,AB3_tI8_139_a_bd:Cu-Tl +mp-1187519,Tl3Cu,-2.510389725,0.2863943025,0.2863943025,0.2863943025,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Tl,4.0,AB3_cP4_221_a_c:Cu-Tl +mp-1213431,EuIn6Ni7,-5.0016678868,-0.1996635339,0.0139554021,0.0139554021,GGA,Ibam,AB6C7_oI56_72_a_jk_djk:Eu-In-Ni,28.0,AB6C7_oI56_72_a_jk_djk:Eu-In-Ni +mp-1225919,Eu2In3Ni,-6.094695105,-0.3364965267,0.0584442689,0.0584442689,GGA,Pmm2,A2B3C_oP6_25_bd_a2c_a:Eu-In-Ni,6.0,A2B3C_oP6_25_bd_a2c_a:Eu-In-Ni +mp-19997,EuIn2Ni,-5.7628679012,-0.3777414163,0.0,-0.0074583802,GGA,Cmcm,AB2C_oC16_63_c_f_c:Eu-In-Ni,8.0,AB2C_oC16_63_c_f_c:Eu-In-Ni +mp-1006242,EuInNi5,-6.182141605,-0.1950889007,0.0,-0.0242539252,GGA,R-3m,ABC5_hR42_166_ab_c_2ch:Eu-In-Ni,14.0,"Invalid WP multiplicities - ABC5_hR42_166_ab_c_3c2h:Eu-In-Ni, expected EuInNi9 to be EuInNi5" +mp-1191370,EuIn2Ni9,-5.7966237125,-0.1481570975,0.0,-0.0052295421,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Eu-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Eu-In-Ni +mp-1103002,EuIn4Ni,-4.8338857967,-0.3265735633,0.0,-0.01386643,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Eu-In-Ni,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_a2c3f_c:Eu-In-Ni, expected EuIn9Ni to be EuIn4Ni" +mp-1215322,ZrCoRe,-9.6731415058,-0.3062929692,0.0289890792,0.0289890792,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Re-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Re-Zr, expected Zr3(CoRe)2 to be ZrCoRe" +mp-1097564,Zr2CoRe,-5.5453465075,3.6167150525,3.9305822394,3.9305822394,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Re-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Re-Zr +mp-864803,NaAcAu2,-3.6062997025,-0.6084336273000001,0.0,-0.1491638777,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Na,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Na +mp-38008,Li2CdCl4,-3.5853069936,-1.8517524031,0.0105039607,0.0105039607,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Cd-Cl-Li,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_c2e:Cd-Cl-Li, expected Li3CdCl14 to be Li2CdCl4" +mp-1187651,YbEuHg2,-3.6968354475,-0.595842745,0.0001069125,0.0001069125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Yb,,AB2C_cF16_225_a_c_b:Eu-Hg-Yb +mp-866193,Li2LaIn,-3.192411525,-0.3160273829,0.0,-0.0435282731,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-La-Li,4.0,ABC2_cF16_225_a_b_c:In-La-Li +mp-1093690,LiLa2In,-1.6174519900000002,2.0157032117,2.32106725,2.32106725,GGA,Immm,AB2C_oI8_71_a_e_b:In-La-Li,4.0,AB2C_oI8_71_a_e_b:In-La-Li +mp-1095913,LiLaIn2,-1.600936555,1.4861378029,1.9087954481,1.9087954481,GGA,Immm,A2BC_oI8_71_e_a_b:In-La-Li,4.0,A2BC_oI8_71_e_a_b:In-La-Li +mp-1224881,Ga3Te3As,-3.7984032771,-0.4879283982,0.0236540021,0.0236540021,GGA,Cm,AB3C3_mC14_8_a_3a_3a:As-Ga-Te,7.0,AB3C3_mC14_8_a_3a_3a:As-Ga-Te +mp-675954,Ga3Te3As,-3.794432455,-0.4839575761,0.0276248243,0.0276248243,GGA,Pmn2_1,AB3C3_oP14_31_a_3a_3a:As-Ga-Te,14.0,"Invalid WP multiplicities - AB3C3_oP14_31_a_4a_4a:As-Ga-Te, expected Ga4Te4As to be Ga3Te3As" +mp-1096546,ScGa2Os,-3.2894491,2.614558045,3.0566715905,3.0566715905,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Os-Sc,4.0,A2BC_oI8_71_e_a_b:Ga-Os-Sc +mp-862300,Sc2GaOs,-7.259983225,-0.5298828094,0.0,-0.02910672,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Os-Sc +mp-1193385,Sc6Ga16Os7,-6.0806368221,-0.3897429255,0.0248757904,0.0248757904,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Sc +mp-1206077,Er2Ge6Pt,-5.2859998167,-0.5143622533000001,0.0624093687,0.0624093687,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Pt,9.0,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Pt +mp-1213024,Er2(GePt3)3,-6.3270814514,-0.7810299468,0.0154505064,0.0154505064,GGA,C2/c,A2B3C9_mC56_15_f_cf_e4f:Er-Ge-Pt,28.0,A2B3C9_mC56_15_f_cf_e4f:Er-Ge-Pt +mp-13579,ErGePt,-6.2200782167,-1.1327848883,0.0,-0.1359499596,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Pt,12.0,ABC_oP12_62_c_c_c:Er-Ge-Pt +mp-17760,ErGe2Pt,-5.8119508,-0.84072384,0.0088648263,0.0088648263,GGA,Immm,AB2C_oI32_71_eg_efn_n:Er-Ge-Pt,16.0,"Invalid WP multiplicities - AB2C_oI32_71_2e2g_e2fn_n:Er-Ge-Pt, expected Er4Ge5Pt2 to be ErGe2Pt" +mp-3332,NaCrSe2,-5.536158535,-1.0443096053,0.0,-0.0547794123,GGA,R-3m,ABC2_hR12_166_a_b_c:Cr-Na-Se,4.0,ABC2_hR12_166_a_b_c:Cr-Na-Se +mp-1179932,NaCrSe2,-4.4624615025,0.0293874272,1.0736970325,1.0189176202,GGA,P6/mmm,ABC2_hP4_191_a_b_e:Cr-Na-Se,4.0,ABC2_hP4_191_a_b_e:Cr-Na-Se +mp-1103969,NaCr5Se8,-6.40262208,-0.8629753325,0.0142760779,0.0142760779,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Na-Se,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-Na-Se +mp-1221432,Na2(CrSe2)3,-5.7577185182,-0.9777492579,0.0,-0.0086448436,GGA,C2/m,A3B2C6_mC22_12_ag_h_ij:Cr-Na-Se,11.0,"Invalid WP multiplicities - A3B2C6_mC22_12_ag_h_2i3j:Cr-Na-Se, expected Na2Cr3Se16 to be Na2(CrSe2)3" +mp-676009,Na3Cr11Se20,-6.1254543594,-0.8292976652,0.0575018244,0.0575018244,GGA,Cm,A11B3C20_mC68_8_11a_3a_20a:Cr-Na-Se,34.0,A11B3C20_mC68_8_11a_3a_20a:Cr-Na-Se +mp-982378,Na3Cr,-2.8475578675,0.5575979701,0.5575979701,0.5575979701,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Na,4.0,AB3_tI8_139_a_bd:Cr-Na +mp-676541,Na4Cr13Se23,-6.1239050247,-0.844262968,0.0594825234,0.0594825234,GGA,Cm,A13B4C23_mC80_8_13a_4a_23a:Cr-Na-Se,40.0,A13B4C23_mC80_8_13a_4a_23a:Cr-Na-Se +mp-1225849,Er6Ga17Pt5,-4.6032957418,-0.7018810331,0.0251700415,0.0251700415,GGA,C2/m,A6B17C5_mC56_12_3i_a8i_d2i:Er-Ga-Pt,28.0,"Invalid WP multiplicities - A6B17C5_mC56_12_4i_a12i_c3i:Er-Ga-Pt, expected Er8Ga25Pt7 to be Er6Ga17Pt5" +mp-1105029,Er3Ga9Pt2,-4.4495440557,-0.6568092505,0.025493661,0.025493661,GGA,Immm,A3B9C2_oI28_71_ag_b2n_f:Er-Ga-Pt,14.0,A3B9C2_oI28_71_ag_b2n_f:Er-Ga-Pt +mp-1212821,Er4Ga12Pt,-4.1797000612,-0.6103376594000001,0.0,-0.027234975,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Er-Ga-Pt,17.0,A4B12C_cI34_229_c_de_a:Er-Ga-Pt +mp-1102669,ErGaPt,-5.665448245,-1.1097988608,0.0,-0.1373198783,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ga-Pt,12.0,ABC_oP12_62_c_c_c:Er-Ga-Pt +mp-1226252,Cr4Te3Se,-6.7393687487000005,-0.297116369,0.1626610943,0.1626610943,GGA,P-6m2,A4BC3_hP8_187_2h_a_bi:Cr-Se-Te,8.0,"Invalid WP multiplicities - A4BC3_hP8_187_3h_a_bi:Cr-Se-Te, expected Cr6Te3Se to be Cr4Te3Se" +mp-1226320,Cr2TeSe,-6.8495644775,-0.3632363998,0.1684008348,0.1684008348,GGA,P-6m2,A2BC_hP4_187_i_a_d:Cr-Se-Te,4.0,A2BC_hP4_187_i_a_d:Cr-Se-Te +mp-1226346,Cr3(TeSe)2,-6.6321339443,-0.5981943511000001,0.0093910598,0.0093910598,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Cr-Se-Te,7.0,A3B2C2_mC14_12_ai_i_i:Cr-Se-Te +mp-1226038,Cr5(Te3Se)2,-6.1780669354,-0.4767672688,0.0843145472,0.0843145472,GGA,P3m1,A5B2C6_hP13_156_5b_2a_2a4c:Cr-Se-Te,13.0,A5B2C6_hP13_156_5b_2a_2a4c:Cr-Se-Te +mp-1097530,Zn2IrPd,-2.107043475,2.0274073275,2.412550705,2.412550705,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pd-Zn,4.0,ABC2_oI8_71_a_b_e:Ir-Pd-Zn +mp-865004,Dy2ZnOs,-5.71370659,-0.28853541,0.0308017136,0.0308017136,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Os-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Os-Zn +mp-1207829,Yb6Mn4Al43,-4.1220866603,-0.2174551218,0.0,-0.0074926846,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mn-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mn-Yb +mp-1215952,Yb(MnAl)6,-6.2464610838,-0.170679929,0.0806607577,0.0806607577,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Mn-Yb,,A6B6C_oI26_71_efg_hk_a:Al-Mn-Yb +mp-1104855,Yb(MnAl2)4,-5.5209820823,-0.2784993063,0.0117844254,0.0117844254,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Yb,,A8B4C_tI26_139_ij_f_a:Al-Mn-Yb +mp-1079386,TbZnPd,-4.4421209067,-0.7507904,0.0,-0.0685193522,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Tb-Zn,9.0,ABC_hP9_189_ad_f_g:Pd-Tb-Zn +mp-1039048,Mg2Bi,-2.3939569883000003,-0.0469405783,0.1376550498,0.1376550498,GGA,R32,AB2_hR18_155_c_ae:Bi-Mg,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Bi-Mg, expected Mg7Bi2 to be Mg2Bi" +mp-1038834,Mg2Bi,-2.3798102883,-0.0327938783,0.1518017498,0.1518017498,GGA,P-62m,AB2_hP6_189_c_ag:Bi-Mg,6.0,AB2_hP6_189_c_ag:Bi-Mg +mp-569018,Mg3Bi2,-2.712961672,-0.21659799,0.0,-0.099751089,GGA,P-3m1,A2B3_hP5_164_d_ad:Bi-Mg,5.0,"Invalid WP multiplicities - A2B3_hP5_164_d_a2d:Bi-Mg, expected Mg5Bi2 to be Mg3Bi2" +mp-1196079,Mg3Bi2,-2.702199259,-0.205835577,0.010762413,-0.088988676,GGA,Ia-3,A2B3_cI80_206_ad_e:Bi-Mg,40.0,A2B3_cI80_206_ad_e:Bi-Mg +mp-1016327,Mg7Bi,-1.9129170025,-0.0326108175,0.0519774297,0.0519774297,GGA,P-6m2,AB7_hP8_187_a_djk:Bi-Mg,8.0,AB7_hP8_187_a_djk:Bi-Mg +mp-1023495,Mg15Bi,-1.7548264012,-0.0145332837,0.0400527491,0.0400527491,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Bi-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Bi-Mg, expected Mg27Bi to be Mg15Bi" +mp-1207227,Mg2Bi3,-3.019656782,-0.075251284,0.069147376,0.069147376,GGA,P-3m1,A3B2_hP5_164_ad_d:Bi-Mg,5.0,A3B2_hP5_164_ad_d:Bi-Mg +mp-1185557,Mg149Bi,-1.642998832,-0.0277840548,0.0,-0.0241740883,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Bi-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l5m16n8o:Bi-Mg, expected Mg309Bi to be Mg149Bi" +mp-1094681,Mg5Bi,-1.9690924983,0.0045557317,0.109145455,0.109145455,GGA,Cm,AB5_mC12_8_a_5a:Bi-Mg,6.0,AB5_mC12_8_a_5a:Bi-Mg +mp-1094714,Mg5Bi,-2.0096473033,-0.0359990733,0.06859065,0.06859065,GGA,Amm2,AB5_oC12_38_a_2a3b:Bi-Mg,6.0,AB5_oC12_38_a_2a3b:Bi-Mg +mp-1038921,Mg5Bi,-1.99779956,-0.02415133,0.0804383934,0.0804383934,GGA,R32,AB5_hR18_155_a_ce:Bi-Mg,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Bi-Mg, expected Mg10Bi to be Mg5Bi" +mp-1094983,Mg5Bi,-2.0020142717,-0.0283660417,0.0762236817,0.0762236817,GGA,P-62m,AB5_hP6_189_a_cg:Bi-Mg,6.0,AB5_hP6_189_a_cg:Bi-Mg +mp-1185698,MgBi5,-3.443366975,0.023753975,0.0839200833,0.0839200833,GGA,Amm2,A5B_oC12_38_2a3b_a:Bi-Mg,6.0,A5B_oC12_38_2a3b_a:Bi-Mg +mp-1185699,MgBi5,-3.4290282533,0.0380926967,0.098258805,0.098258805,GGA,R32,A5B_hR18_155_cd_b:Bi-Mg,6.0,A5B_hR18_155_cd_b:Bi-Mg +mp-1185855,MgBi5,-3.4292639267,0.0378570233,0.0980231317,0.0980231317,GGA,P-62m,A5B_hP6_189_cg_a:Bi-Mg,6.0,"Invalid WP multiplicities - A5B_hP6_189_2cg_a:Bi-Mg, expected MgBi7 to be MgBi5" +mp-1185697,MgBi3,-3.2880939238,-0.0076570637,0.0825920988,0.0825920988,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Mg,8.0,A3B_hP8_194_h_c:Bi-Mg +mp-1096597,Mg2CdAu,-1.10597677,0.743356195,1.1195212606,1.1195212606,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cd-Mg,4.0,ABC2_oI8_71_a_b_e:Au-Cd-Mg +mp-1222015,MgCdAu2,-2.66922193,-0.4014884775,0.0,-0.0103744762,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Au-Cd-Mg,4.0,A2BC_tP4_123_h_a_b:Au-Cd-Mg +mp-865150,MgCdAu2,-2.6622665750000003,-0.3945331225,0.006955355,-0.0034191212,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Mg +mp-631362,SiTe2Os,-5.1545061075,0.5803182042,0.9237194841,0.9237194841,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Si-Te,4.0,ABC2_cF16_225_a_b_c:Os-Si-Te +mp-1186439,Pm2AgOs,-6.0365636325,-0.1463116129,0.0,-0.078546364,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Os-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Os-Pm +mp-864977,Dy2AgOs,-6.1008722275,-0.2824979492,0.0284206071,0.0284206071,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Os,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Os +mp-19829,YbCrSb3,-5.164923336,-0.448991442,0.0207048915,0.0207048915,GGA,Pbcm,AB3C_oP20_57_c_c2d_d:Cr-Sb-Yb,,AB3C_oP20_57_c_c2d_d:Cr-Sb-Yb +mp-866008,Dy2TlAg,-3.9452038125,-0.343010605,0.0,-0.01020768,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Tl +mp-1183243,AcSnPd2,-5.291651225,-0.6690236044,0.0,-0.2207109833,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Ac-Pd-Sn +mp-1186372,Pa2BiTe,-6.9760408525,-0.4727597667,0.0,-0.0667683658,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pa-Te,4.0,AB2C_cF16_225_a_c_b:Bi-Pa-Te +mp-865856,PaBi3,-5.40762815,-0.1485951375,0.0,-0.1485951375,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Pa,4.0,A3B_tI8_139_ad_b:Bi-Pa +mp-973876,PaBi3,-5.39556136,-0.1365283475,0.01206679,-0.1365283475,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Pa,8.0,A3B_hP8_194_h_c:Bi-Pa +mp-1224193,HfZrMo4,-10.4699096033,-0.15532792,0.0002408,0.0002408,GGA,F-43m,AB4C_cF24_216_a_e_c:Hf-Mo-Zr,6.0,AB4C_cF24_216_a_e_c:Hf-Mo-Zr +mp-1097384,Hf2TcPd,-5.8925235975,2.9712011062,3.59339454,3.5576385187,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Pd-Tc,4.0,A2BC_oI8_71_e_a_b:Hf-Pd-Tc +mp-1184594,Hf2TcPd,-9.4859181375,-0.6221934338,0.0,-0.0357560213,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Pd-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Pd-Tc +mp-979043,Tm2CoCu,-5.2877393425,-0.2479405146,0.0174684703,0.0174684703,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cu-Tm,4.0,ABC2_cF16_225_a_b_c:Co-Cu-Tm +mp-1207929,TmBiRh,-5.43872683,-0.2118493556,0.4782309974,0.4782309974,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Rh-Tm,3.0,ABC_cF12_216_c_a_b:Bi-Rh-Tm +mp-1185198,LaEuAg2,-5.5067655825,-0.2922353546,0.0,-0.0040976244,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-La,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-La +mp-1225463,Dy2As7Rh12,-6.8905359138,-0.6905789160000001,0.0,-0.05754912,GGA,P3,A7B2C12_hP21_143_a2d_bc_4d:As-Dy-Rh,21.0,A7B2C12_hP21_143_a2d_bc_4d:As-Dy-Rh +mp-1096470,Zr2PdPt,-4.6602643375,2.42633976,3.2937914888,3.2937914888,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Pd-Pt-Zr +mp-569047,SmTlPd,-4.7400724822,-0.6530354517,0.0,-0.0531855458,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Sm-Tl,9.0,ABC_hP9_189_ad_f_g:Pd-Sm-Tl +mp-1206151,CeMnSn2,-5.9931247425,-0.2145627032,0.2283516409,0.2283516409,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Mn-Sn,8.0,ABC2_oC16_63_c_c_2c:Ce-Mn-Sn +mp-1184105,Dy2TlHg,-3.3817047525,-0.4117304546,0.0,-0.00280262,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Dy-Hg-Tl +mp-567912,SmHgPd,-4.0948200311,-0.6941039278000001,0.0,-0.0460189675,GGA,P-62m,ABC_hP9_189_f_bc_g:Hg-Pd-Sm,9.0,ABC_hP9_189_f_bc_g:Hg-Pd-Sm +mp-1219688,PrAsPd,-5.576480565,-0.703178575,0.4777619867,0.4060974463,GGA,Cmmm,ABC_oC12_65_g_h_k:As-Pd-Pr,6.0,ABC_oC12_65_g_h_k:As-Pd-Pr +mp-1207199,PrAsPd,-6.0542425517,-1.1809405617,0.0,-0.0716645404,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Pd-Pr,6.0,ABC_hP6_194_c_d_a:As-Pd-Pr +mp-1209563,PrAs2Pd3,-5.7714445672,-0.8316465681,0.0,-0.0545933681,GGA,C2/m,A2B3C_mC36_12_3i_a4i_di:As-Pd-Pr,,A2B3C_mC36_12_3i_a4i_ci:As-Pd-Pr +mp-570183,Pr(AsPd)2,-5.752028588,-0.860247351,0.0158770827,0.0158770827,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Pd-Pr,5.0,A2B2C_tI10_139_e_d_a:As-Pd-Pr +mp-865090,NaAcTl2,-2.81632824,-0.2740815914,0.0,-0.1772288083,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Ac-Na-Tl +mp-1222408,LuCuSn,-4.4104743667,-0.200564685,0.36221241,0.2682917841,GGA,P-3m1,ABC_hP6_164_d_c_d:Cu-Lu-Sn,6.0,ABC_hP6_164_d_c_d:Cu-Lu-Sn +mp-13200,LuCuSn,-4.7726867767000005,-0.5627770950000001,0.0,-0.0939206259,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Lu-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Lu-Sn +mp-1072823,LuCuSn,-4.711039825,-0.5011301433,0.0616469517,-0.0322736742,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Lu-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Lu-Sn +mp-1206069,Lu3(CuSn)4,-4.6271583009,-0.4455250591,0.0191673473,0.0191673473,GGA,C2/m,A4B3C4_mC22_12_2i_ai_2i:Cu-Lu-Sn,11.0,A4B3C4_mC22_12_2i_ai_2i:Cu-Lu-Sn +mp-1078587,Lu(CuSn)2,-4.386597192,-0.238895678,0.108095102,0.108095102,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-Lu-Sn,10.0,A2BC2_tP10_129_ac_c_bc:Cu-Lu-Sn +mp-861930,LiPdAu2,-3.7501130175,-0.3409708483,0.0,-0.0036301843,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Au-Li-Pd +mp-866176,Li2PdAu,-3.57456353,-0.5066611442,0.0,-0.01669399,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Li-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Li-Pd +mp-1096115,LiPd2Au,-2.1755075225,1.7101345992,2.0217550875,2.0217550875,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Li-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Li-Pd +mp-1185262,LiPd2Au,-4.1719831,-0.2863409783,0.02527951,0.02527951,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Li-Pd +mp-617426,InFeBr3,-3.955092827,-0.7789348410000001,0.264136746,0.264136746,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Fe-In,20.0,"Invalid WP multiplicities - A3BC_oP20_62_10c_c_c:Br-Fe-In, expected InFeBr10 to be InFeBr3" +mp-1211519,Nd2Sb3Pd,-3.3424579717,1.1747387608,2.2305625975,2.2305625975,GGA,P4/mmm,A2BC3_tP6_123_g_a_bg:Nd-Pd-Sb,6.0,A2BC3_tP6_123_g_a_bg:Nd-Pd-Sb +mp-542565,Nd3Sb5Pd6,-5.5995835686,-0.8832450430000001,0.0,-0.0198707429,GGA,Pmmn,A3B6C5_oP28_59_ae_2b2e_a2e:Nd-Pd-Sb,28.0,A3B6C5_oP28_59_ae_2b2e_a2e:Nd-Pd-Sb +mp-21122,NdSb2Pd,-5.4962120862,-0.9447041556,0.0,-0.0368895263,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Nd-Pd-Sb,8.0,ABC2_tP8_129_c_a_bc:Nd-Pd-Sb +mp-1180068,NdSb2Pd,-5.1323781025,-0.5808701719,0.3638339838,0.3269444575,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Nd-Pd-Sb,8.0,ABC2_tP8_129_c_a_bc:Nd-Pd-Sb +mp-570619,NdSbPd,-5.5605359292,-0.8681924350000001,0.1970926092,0.1480887833,GGA,Pmma,ABC_oP12_51_ef_i_j:Nd-Pd-Sb,12.0,"Invalid WP multiplicities - ABC_oP12_51_2e2f_i_j:Nd-Pd-Sb, expected Nd2SbPd to be NdSbPd" +mp-1018815,NdSbPd,-5.7576285383,-1.0652850442,0.0,-0.0490038258,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Nd-Pd-Sb,6.0,ABC_hP6_194_a_c_d:Nd-Pd-Sb +mp-1186307,NdHoMg2,-3.23006662,-0.0922875194,0.0,-0.00103254,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Nd +mp-1220341,Nd2Ge3Ir,-6.1263240533,-0.752355285,0.0636785238,0.0636785238,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Ge-Ir-Nd,6.0,A3BC2_oP6_25_a2b_a_cd:Ge-Ir-Nd +mp-1196944,Nd3Ge13Ir4,-6.0022523538,-0.5143752971000001,0.0208180511,0.0208180511,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Nd,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Nd +mp-22768,Nd2Ge2Ir,-5.992686206,-0.468529255,0.366089409,0.366089409,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Ir-Nd,10.0,A2BC2_mC20_12_2i_i_2i:Ge-Ir-Nd +mp-1103641,NdGeIr,-6.9019848383,-0.8254483492,0.0,-0.0388403033,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Nd,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Nd +mp-1106400,Nd2Ge5Ir3,-6.6671149065,-0.7504412385,0.0,-0.031316663,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Nd,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Nd +mp-1206248,Nd2(GeIr)3,-5.548255435,0.6918296863000001,1.4898461031,1.4898461031,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Nd,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Nd +mp-542593,NdGe2Ir,-6.5130229756,-0.7998636450000001,0.0,-0.0331002569,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-Nd,16.0,A2BC_oI32_71_efm_m_ei:Ge-Ir-Nd +mp-1080558,Nd(GeIr)2,-7.119771558,-0.7815572575,0.0,-0.0949859107,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Nd,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Nd +mp-1078280,Ca2GaPd2,-4.263725175,-0.7839132945,0.0,-0.0759670155,GGA,C2/c,A2BC2_mC20_15_f_e_f:Ca-Ga-Pd,10.0,A2BC2_mC20_15_f_e_f:Ca-Ga-Pd +mp-31480,Ca3(GaPd)2,-3.9185444114,-0.7138650821,0.0,-0.0179425579,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Ca-Ga-Pd,28.0,A3B2C2_oP28_57_de_cd_e:Ca-Ga-Pd +mp-31082,Li4ZrGe2,-3.6921901271,-0.059411869,0.4043433525,0.4043433525,GGA,R-3m,A2B4C_hR21_166_c_2c_a:Ge-Li-Zr,7.0,"Invalid WP multiplicities - A2B4C_hR21_166_c_4c_a:Ge-Li-Zr, expected Li8ZrGe2 to be Li4ZrGe2" +mp-1222416,LiZr4Ge,-6.948986165,-0.1618606247,0.2027592934,0.2027592934,GGA,Amm2,ABC4_oC12_38_a_b_2a2b:Ge-Li-Zr,6.0,ABC4_oC12_38_a_b_2a2b:Ge-Li-Zr +mp-1215665,Zr3CoSe6,-6.791191986,-1.4185031309,0.0607019805,0.0607019805,GGA,R-3,AB6C3_hR30_148_a_f_bc:Co-Se-Zr,10.0,AB6C3_hR30_148_a_f_bc:Co-Se-Zr +mp-1189783,PrAlPd2,-5.5895754638,-0.8680141625000001,0.0,-0.0148805725,GGA,Pnma,AB2C_oP16_62_c_d_c:Al-Pd-Pr,16.0,AB2C_oP16_62_c_d_c:Al-Pd-Pr +mp-1080703,PrAlPd,-5.35506241,-0.7862746117,0.0,-0.0609070206,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pd-Pr,9.0,ABC_hP9_189_f_bc_g:Al-Pd-Pr +mp-1208217,TiAsRu,-7.9932953989,-0.7169577450000001,0.0,-0.0409493783,GGA,Ima2,ABC_oI36_46_bc_ac_3b:As-Ru-Ti,18.0,ABC_oI36_46_bc_ac_3b:As-Ru-Ti +mp-865442,TiAlOs2,-9.107799465,-0.5838487883,0.0,-0.0194038463,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Os-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Os-Ti +mp-1192680,Ti6Al16Os7,-6.8775208228,-0.4673919472,0.0725353234,0.0725353234,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Os-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Os-Ti +mp-20192,HfMnSi,-8.847343265,-0.6658358143,0.0,-0.0983516739,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Mn-Si,12.0,ABC_oP12_62_c_c_c:Hf-Mn-Si +mp-1212656,Hf3(Mn2Si3)2,-8.2356585159,-0.6147710975,0.0,-0.0034384211,GGA,P4_2/mbc,A3B4C6_tP104_135_3h_ghi_g5h:Hf-Mn-Si,104.0,A3B4C6_tP104_135_3h_ghi_g5h:Hf-Mn-Si +mp-1203090,HfMnSi2,-8.1276110694,-0.6351509739,0.0,-0.0227146142,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Hf-Mn-Si,48.0,ABC2_oP48_55_gi_ei_2g2hi:Hf-Mn-Si +mp-631280,MnTcOs,-9.5994466033,0.6505606190000001,0.6941462874000001,0.6941462874000001,GGA,F-43m,ABC_cF12_216_a_b_c:Mn-Os-Tc,3.0,ABC_cF12_216_a_b_c:Mn-Os-Tc +mp-1093657,ScBePt2,-4.129345415,1.4241917375,2.3468722605,2.3468722605,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Pt-Sc,4.0,AB2C_oI8_71_a_e_b:Be-Pt-Sc +mp-1096150,ScBe2Pt,-2.67606054,2.2945464987,2.9872225205,2.9872225205,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-Sc,4.0,A2BC_oI8_71_e_a_b:Be-Pt-Sc +mp-1097288,Sc2PtRh,-4.98399903,1.54109582,2.67039284,2.67039284,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Pt-Rh-Sc +mp-1186956,Sc2PtRh,-7.6399052675,-1.1148104175,0.0144866025,0.0144866025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Pt-Rh-Sc +mp-1227408,Ca(LuTe2)2,-5.0372977657,-1.6629085524,0.0072113607,0.0072113607,GGA,P2/m,AB2C4_mP7_10_c_bd_mn:Ca-Lu-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Ca-Lu-Te, expected Ca(LuTe4)2 to be Ca(LuTe2)2" +mp-865601,Lu2RuRh,-7.1958142375,-0.7756613750000001,0.0,-0.026538745,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Lu-Rh-Ru +mp-979044,Tm2CuAu,-4.66654257,-0.5853526908000001,0.0139139737,0.0139139737,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Tm,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Tm +mp-972882,Sc2CdAg,-4.3800077225,-0.2749117292,0.0136761075,0.0136761075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Sc +mp-1096118,ScCd2Ag,-1.3605091475,1.3921920096,1.6221318512,1.6221318512,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-Sc,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-Sc +mp-867127,ScCdAg2,-3.475579975,-0.2454622571,0.0,-0.0027102155,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Sc,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Sc +mp-1206853,FeSbRh2,-7.05204605,-0.2201365025,0.0978303806,0.0978303806,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Fe-Rh-Sb,4.0,AB2C_tI8_139_a_d_b:Fe-Rh-Sb +mp-35091,Li31Zr2Sb13,-3.401431425,-0.5764525936,0.1108235315,0.1108235315,GGA,R3m,A31B13C2_hR138_160_31a_13a_2a:Li-Sb-Zr,46.0,A31B13C2_hR138_160_31a_13a_2a:Li-Sb-Zr +mp-1210802,Tb3Ga15Ru4,-4.9051806551,-0.5223557098,0.0,-0.0053082388,GGA,Pnma,A15B4C3_oP88_62_5c5d_2d_3c:Ga-Ru-Tb,88.0,A15B4C3_oP88_62_5c5d_2d_3c:Ga-Ru-Tb +mp-1208714,Tb2(Ga3Ru)3,-5.1395806632,-0.543523233,0.0,-0.009454219,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Tb +mp-1104461,TbGa3Ru,-5.1864355887,-0.5878242472,0.0,-0.0354526728,GGA,Pm-3m,A3BC_cP15_221_ag_c_d:Ga-Ru-Tb,15.0,A3BC_cP15_221_ag_c_d:Ga-Ru-Tb +mp-675683,Yb3(Sb7Te12)2,-3.8651943483,-0.5026532839,0.0990888093,0.0990888093,GGA,P1,A14B24C3_aP41_1_14a_24a_3a:Sb-Te-Yb,,A14B24C3_aP41_1_14a_24a_3a:Sb-Te-Yb +mp-675892,Yb(SbTe2)2,-3.8939643036,-0.6981308274,0.1117467393,0.1117467393,GGA,I-42d,A2B4C_tI28_122_d_e_a:Sb-Te-Yb,,A2B4C_tI28_122_d_e_a:Sb-Te-Yb +mp-29068,Hf5FeTe3,-8.2358835628,-0.7152297806,0.0,-0.0192734711,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Fe-Hf-Te,36.0,AB5C3_oP36_62_c_5c_3c:Fe-Hf-Te +mp-623814,Hf8FeTe6,-7.9259581223,-0.7934668683,0.0,-0.0011094953,GGA,Pmmn,AB8C6_oP30_59_a_ab3e_3e:Fe-Hf-Te,30.0,"Invalid WP multiplicities - AB8C6_oP30_59_a_2a2b9e_7e:Fe-Hf-Te, expected Hf22FeTe14 to be Hf8FeTe6" +mp-1077332,HoCdNi4,-5.1323081767,-0.3613339517,0.0,-0.0500247486,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Ho-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Ho-Ni +mp-1212299,Ho4CdNi,-4.4729770579,-0.3008667379,0.0,-0.0238509529,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ho-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Ho-Ni +mp-1207769,Yb12Ga19Au25,-3.4661469559,-0.6472867097,0.0,-0.048252949,GGA,Pmm2,A25B19C12_oP56_25_2abc3d5e4f_2abcd3e4f_2b2c2e2f:Au-Ga-Yb,,A25B19C12_oP56_25_2abc3d5e4f_2abcd3e4f_2b2c2e2f:Au-Ga-Yb +mp-17668,YbGa7Au3,-3.3299096814,-0.370098187,0.0100148959,0.0100148959,GGA,R-3c,A3B7C_hR66_167_e_af_b:Au-Ga-Yb,,"Invalid WP multiplicities - A3B7C_hR66_167_e_a2f_b:Au-Ga-Yb, expected YbGa13Au3 to be YbGa7Au3" +mp-865748,YbGaAu2,-3.4284890525,-0.6496219769,0.0446168242,0.0446168242,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Yb,,A2BC_cF16_225_c_a_b:Au-Ga-Yb +mp-1215511,YbGa3Au,-3.330066446,-0.5505107765,0.0,-0.0446468191,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-Ga-Yb,,AB3C_tI10_107_a_ab_a:Au-Ga-Yb +mp-1205487,Er7(TePd)2,-5.2590296718000005,-0.8389926648,0.0230152023,0.0230152023,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Er-Pd-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Er-Pd-Te +mp-865050,HfMgRh2,-7.4427769525,-0.8712557475,0.0,-0.1433821761,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Hf-Mg-Rh +mp-867257,CaPrCd2,-2.5303829625,-0.3723116738,0.0,-0.0365821375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Pr,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Pr +mp-1188761,Sc4Ge6Os7,-8.1816459129,-0.4369626447,0.0320864492,0.0320864492,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Os-Sc,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Os-Sc +mp-1078635,ScGeOs,-8.0227056556,-0.6284175256,0.0,-0.0765539739,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Os-Sc,9.0,ABC_hP9_189_ad_g_f:Ge-Os-Sc +mp-1202831,ScGe2Os,-7.2268892417,-0.5254161804,0.0,-0.0473081285,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Os-Sc,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Os-Sc +mp-1206999,SmGePd3,-5.442807,-0.466555116,0.3398895764,0.3398895764,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-Pd-Sm,5.0,AB3C_cP5_221_b_c_a:Ge-Pd-Sm +mp-31491,Sm(GePd)2,-5.693658014,-0.828776921,0.0,-0.0565598233,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Sm,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-Sm +mp-1219017,SmGePd,-5.7212629267,-0.8807643267,0.0881211656,-0.0001912967,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Sm,6.0,ABC_mC12_12_i_i_i:Ge-Pd-Sm +mp-1208689,SmGePd,-5.8093840922,-0.9688854922,0.0,-0.0883124622,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Ge-Pd-Sm,36.0,ABC_oP36_62_3c_3c_3c:Ge-Pd-Sm +mp-1218993,SmGePd,-5.7779542733,-0.9374556733,0.0314298189,-0.0568826433,GGA,P-6m2,ABC_hP3_187_a_c_f:Ge-Pd-Sm,3.0,ABC_hP3_187_a_c_f:Ge-Pd-Sm +mp-1208901,Sm2Ge5Pd3,-5.544460583,-0.7352648855,0.0,-0.0036622395,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Pd-Sm,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Pd-Sm +mp-1208653,SmGe2Pd,-5.5791663775,-0.7930354637,0.0,-0.0220121257,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pd-Sm,16.0,A2BC_oI32_71_efm_m_ei:Ge-Pd-Sm +mp-1188088,SmGePd2,-5.8135155812,-0.8881711787000001,0.0,-0.023837234,GGA,Pnma,AB2C_oP16_62_c_d_c:Ge-Pd-Sm,16.0,AB2C_oP16_62_c_d_c:Ge-Pd-Sm +mp-1209001,Sm3(Ge3Pd10)2,-5.6894975848,-0.6725471802,0.0,-0.0104403688,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:Ge-Pd-Sm,29.0,A6B20C3_cF116_225_e_fh_ac:Ge-Pd-Sm +mp-1207158,Sm2Ge6Pd,-5.2371642622,-0.5310285722,0.0417366487,0.0417366487,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Sm,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Sm +mp-1184500,Gd2ZnHg,-7.847911855,-0.4189947412,0.0188705475,0.0188705475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Gd-Hg-Zn +mp-1190711,Sr2(ZnAu2)3,-2.9871347059,-0.5506338208,0.0,-0.0580158909,GGA,R-3c,A6B2C3_hR66_167_f_c_e:Au-Sr-Zn,22.0,A6B2C3_hR66_167_f_c_e:Au-Sr-Zn +mp-1187981,Yb3Nb,-3.1434832225,0.5365492475,0.5365492475,0.5365492475,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Yb,,AB3_tI8_139_a_bd:Nb-Yb +mp-1187985,Yb3Nb,-3.1446178537,0.5354146163,0.5354146163,0.5354146163,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Yb,,AB3_hP8_194_c_h:Nb-Yb +mp-1207755,Yb6Nb4Al43,-4.2483819108,-0.27286058,0.0,-0.0266626343,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Yb +mp-1187680,YbNb3,-7.4524974975,0.5083833525,0.5083833525,0.5083833525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nb-Yb,,A3B_hP8_194_h_c:Nb-Yb +mp-672651,Zr6Ni16Ge7,-6.663644379,-0.5902103912000001,0.0,-0.0303233377,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Ge-Ni-Zr,29.0,"Invalid WP multiplicities - A7B16C6_cF116_225_a2d_10f_e:Ge-Ni-Zr, expected Zr6Ni80Ge13 to be Zr6Ni16Ge7" +mp-1102687,ZrNiGe,-7.10337166,-0.7864166050000001,0.0,-0.103724968,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Zr +mp-961662,ZrNiGe,-6.2743304467,0.0426246083,0.8290412133,0.7253162453,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Ni-Zr,3.0,ABC_cF12_216_a_b_c:Ge-Ni-Zr +mp-1183155,Al2NiOs,-6.660660305,-0.5359963625,0.0043382563,0.0043382563,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ni-Os,4.0,A2BC_cF16_225_c_a_b:Al-Ni-Os +mp-5491,MnAlAu2,-5.111757035,-0.2479182545,0.0,-0.008652066,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Mn,4.0,AB2C_cF16_225_a_c_b:Al-Au-Mn +mp-961679,TaAlPt,-7.2422034733,-0.0173745467,0.6775749892,0.6775749892,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Pt-Ta,3.0,ABC_cF12_216_a_b_c:Al-Pt-Ta +mp-1226572,CeGaSi,-5.4182868817,-0.6227858125,0.0,-0.0218281542,GGA,Imma,ABC_oI12_74_e_e_e:Ce-Ga-Si,,ABC_oI12_74_e_e_e:Ce-Ga-Si +mp-1206504,CeGaSi,-5.398701015,-0.6031999458,0.0195858667,-0.0022422875,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Ga-Si,,ABC_tI12_109_a_a_a:Ce-Ga-Si +mp-505267,Np2Si4Tc3,-9.2168780117,-0.4747948653,0.0,-0.0606488353,GGA,P2_1/c,A2B4C3_mP18_14_e_2e_ae:Np-Si-Tc,18.0,A2B4C3_mP18_14_e_2e_ae:Np-Si-Tc +mp-962076,SrCdSi,-2.2702196033,0.4090141444,0.7412138142,0.7412138142,GGA,F-43m,ABC_cF12_216_a_b_c:Cd-Si-Sr,3.0,ABC_cF12_216_a_b_c:Cd-Si-Sr +mp-861619,TiZnPt2,-6.066988865,-0.7426132983,0.0183120272,0.0183120272,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Pt-Ti-Zn +mp-1097636,TiZn2Pt,-2.15573551,1.9657926292,2.4724365575,2.4724365575,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Ti-Zn,4.0,ABC2_oI8_71_a_b_e:Pt-Ti-Zn +mp-1225125,Fe3Si4Ir,-7.5099931263,-0.516271885,0.0064602631,0.0064602631,GGA,R3,A3BC4_hR24_146_b_a_ab:Fe-Ir-Si,8.0,A3BC4_hR24_146_b_a_ab:Fe-Ir-Si +mp-1185419,LiSiPt2,-5.55863997,-0.6895130858,0.0176194969,0.0176194969,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Si,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Si +mp-1105613,Li4SiPt3,-4.6212859269,-0.7119847448000001,0.0,-0.1332476008,GGA,R32,A4B3C_hR48_155_cf_de_c:Li-Pt-Si,16.0,A4B3C_hR48_155_cf_de_c:Li-Pt-Si +mp-1096554,Nb2ReRh,-6.03486262,3.9679986637,4.2387018325,4.2387018325,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-Rh,4.0,A2BC_oI8_71_e_a_b:Nb-Re-Rh +mp-862558,LiEr2Os,-5.8448696575,-0.2769376783,0.0,-0.049304716,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Li-Os,4.0,A2BC_cF16_225_c_a_b:Er-Li-Os +mp-570687,AgCl,-3.063158695,-0.7226123633,0.01127005,-0.0997822711,GGA,P2_1/m,AB_mP4_11_e_e:Ag-Cl,4.0,AB_mP4_11_e_e:Ag-Cl +mp-22922,AgCl,-3.074428745,-0.7338824133,0.0,-0.1110523211,GGA,Fm-3m,AB_cF8_225_a_b:Ag-Cl,2.0,AB_cF8_225_a_b:Ag-Cl +mp-570858,AgCl,-3.0383847675,-0.6978384358,0.0360439775,-0.0750083436,GGA,Cmcm,AB_oC8_63_c_c:Ag-Cl,4.0,AB_oC8_63_c_c:Ag-Cl +mp-726265,AgCl,-2.937698675,-0.5971523433,0.13673007,0.0256777489,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Cl,2.0,AB_cP2_221_a_b:Ag-Cl +mp-1183265,Ag3Cl,-2.6900071138,-0.1034559462,0.2634852604,0.2634852604,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Cl,8.0,A3B_hP8_194_h_c:Ag-Cl +mp-864635,Ag2Cl3,-2.989540508,-0.7473961107,0.0,-0.16029018,GGA,R-3c,A2B3_hR30_167_c_e:Ag-Cl,10.0,A2B3_hR30_167_c_e:Ag-Cl +mp-28557,Ag2PdCl4,-3.412840805,-0.8072493112,0.0,-0.0063752429,GGA,Cmce,A2B4C_oC28_64_e_df_a:Ag-Cl-Pd,14.0,A2B4C_oC28_64_e_df_a:Ag-Cl-Pd +mp-980647,TmThOs2,-8.8094427825,-0.2233356492,0.1273529072,0.1273529072,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Th-Tm,4.0,A2BC_cF16_225_c_a_b:Os-Th-Tm +mp-1096681,CdSbRh2,-3.006620795,1.93850589,2.2345478656,2.2345478656,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Rh-Sb,4.0,AB2C_oI8_71_a_e_b:Cd-Rh-Sb +mp-980384,YbDyPd2,-5.01374522,-0.8872055350000001,0.0,-0.0092584925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Pd-Yb,,AB2C_cF16_225_a_c_b:Dy-Pd-Yb +mp-1188004,Zr2TcRh,-9.3408071025,-0.6357200837,0.0,-0.1123739241,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Rh-Tc-Zr +mp-974584,ReAu3,-4.911435935,0.6551073612,0.6551073612,0.6551073612,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Re,4.0,A3B_tI8_139_ad_b:Au-Re +mp-631573,Re2AuSe,-7.138912705,0.7757992569000001,1.0436236359,1.0436236359,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Re-Se,4.0,AB2C_cF16_216_a_bc_d:Au-Re-Se +mp-22276,Mn2InCo,-6.8396739725,0.2063340548,0.221446165,0.221446165,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-In-Mn,4.0,ABC2_cF16_216_a_c_bd:Co-In-Mn +mp-1018696,EuCdPb,-5.4055292983,-0.441349755,0.0,-0.0602221517,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cd-Eu-Pb,6.0,ABC_hP6_186_b_a_b:Cd-Eu-Pb +mp-1183962,Eu2CdPb,-6.7953215,-0.5079363925,0.0,-0.0709153975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Pb,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Pb +mp-865380,Tm2PdPt,-6.1778359725,-1.1271644783,0.0087037275,0.0087037275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Pd-Pt-Tm +mp-1184497,GdDyRh2,-9.186063325,-0.83318212,0.01020501,0.01020501,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Gd-Rh +mp-866280,CaSmRh2,-5.91433535,-0.5511349113,0.0050231544,0.0050231544,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Sm +mp-862361,Sc2NiOs,-7.9155801525,-0.4974695725,0.0,-0.0557835436,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Ni-Os-Sc +mp-1184981,Li2NdPb,-3.4219546325,-0.3472945735,0.0203097074,0.0203097074,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Nd-Pb,4.0,A2BC_cF16_225_c_a_b:Li-Nd-Pb +mp-1096732,TlCdPd2,-2.2543268975,1.1569972342,1.4536581446,1.4536581446,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-Pd-Tl +mp-1187583,Tm2PtRh,-6.7081079325,-1.1113299233,0.040238445,0.040238445,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Pt-Rh-Tm +mp-1097581,CdCuPd2,-2.105299695,1.7401653175,2.0068698825,2.0068698825,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Cu-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Cu-Pd +mp-1183508,CaEuCd2,-3.8753605425,-0.3482652425,0.0051963999999999,0.0051963999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Eu,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Eu +mp-977379,Ho2NiIr,-6.6281146375,-0.6822674875,0.021171952,0.021171952,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Ni +mp-983063,PmSmHg2,-2.9922899175,-0.4731676206,0.0,-0.1625487569,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Pm-Sm +mp-16238,Li2AgSb,-3.201018775,-0.5061680308000001,0.0,-0.0282875563,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ag-Li-Sb,4.0,AB2C_cF16_216_a_bc_d:Ag-Li-Sb +mp-1097668,LiAg2Sb,-1.7603706425,1.1653883858,1.4303233738,1.4303233738,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Li-Sb,4.0,A2BC_oI8_71_e_a_b:Ag-Li-Sb +mp-1185309,LiAg2Sb,-3.1840229725,-0.2582639442,0.0066710437,0.0066710437,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Sb,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Sb +mp-1095947,MgTlPd2,-2.40968727,1.1709844342,1.6346315669,1.6346315669,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Mg-Pd-Tl +mp-29073,Nb2GeTe4,-6.0632872843,-0.7205927831000001,0.0,-0.034273401,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ge-Nb-Te,28.0,AB2C4_mP28_14_e_2e_4e:Ge-Nb-Te +mp-28754,Nb3GeTe6,-6.0993131847,-0.7206353512,0.0065113703,0.0065113703,GGA,Pnma,AB3C6_oP40_62_c_3c_3d:Ge-Nb-Te,40.0,AB3C6_oP40_62_c_3c_3d:Ge-Nb-Te +mp-1173636,Nb24Ge7Te48,-6.0952262653,-0.7069832422,0.0219056654,0.0219056654,GGA,Cm,A7B24C48_mC158_8_3a2b_12a6b_24b:Ge-Nb-Te,79.0,"Invalid WP multiplicities - A7B24C48_mC158_8_3a4b_12a12b_38b:Ge-Nb-Te, expected Nb36Ge11Te76 to be Nb24Ge7Te48" +mp-569338,YbAlPd,-4.2992816975,-0.8109263908000001,0.0,-0.0526762225,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pd-Yb,,ABC_oP12_62_c_c_c:Al-Pd-Yb +mp-1080600,YbAl2Pd,-4.2598528125,-0.7071923750000001,0.0,-0.0457563234,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Pd-Yb,,A2BC_oC16_63_f_c_c:Al-Pd-Yb +mp-1228473,Al3GePd4,-5.3558905162,-0.7834801931,0.0173273438,0.0173273438,GGA,R3,A3BC4_hR24_146_b_a_ab:Al-Ge-Pd,8.0,A3BC4_hR24_146_b_a_ab:Al-Ge-Pd +mp-1078902,ThAlPt,-6.8298490178,-1.0863265511,0.0,-0.1429619866,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pt-Th,9.0,ABC_hP9_189_f_bc_g:Al-Pt-Th +mp-1095895,Li2ZnHg,-0.64972821,0.6955892171,0.99183151,0.99183151,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Zn +mp-1096409,LiZnHg2,-0.456401155,0.4876056467,0.6745077062,0.6745077062,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Zn,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Zn +mp-1209920,Nd2(Al3Rh)3,-5.4827828407,-0.8156827732,0.0,-0.0942879908,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Nd-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Nd-Rh +mp-1209843,NdAlRh,-6.1126813608,-0.8200043167000001,0.0,-0.0574683708,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Nd-Rh,12.0,ABC_oP12_62_c_c_c:Al-Nd-Rh +mp-865256,LuMgZn2,-2.4763593625,-0.316179915,0.0,-0.0240801633,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Mg-Zn +mp-1217534,TbScSi,-5.8782597256,-0.4142086472,0.2098028153,0.2098028153,GGA,Amm2,ABC_oC36_38_df_abce_abde:Sc-Si-Tb,18.0,ABC_oC36_38_df_abce_abde:Sc-Si-Tb +mp-1217472,TbScSi2,-6.2191622975,-0.7647944812,0.0304638525,0.0304638525,GGA,Amm2,AB2C_oC8_38_a_ab_b:Sc-Si-Tb,4.0,AB2C_oC8_38_a_ab_b:Sc-Si-Tb +mp-1208563,Tb2Sc3Si4,-6.3546093694,-0.8026747433,0.0,-0.0334043403,GGA,Pnma,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Tb,36.0,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Tb +mp-570957,CsSiTe3,-3.8731231935,-0.7229955771000001,0.0,-0.078227991,GGA,Cc,ABC3_mC40_9_2a_2a_6a:Cs-Si-Te,20.0,"Invalid WP multiplicities - ABC3_mC40_9_4a_3a_11a:Cs-Si-Te, expected Cs4Si3Te11 to be CsSiTe3" +mp-574224,Cs4SiTe4,-3.4435590433,-1.0457644776,0.0,-0.10485913,GGA,P-43n,A4BC4_cP72_218_ei_ac_ei:Cs-Si-Te,72.0,"Invalid WP multiplicities - A4BC4_cP72_218_7e7i_2a2c_6e7i:Cs-Si-Te, expected Cs28Si2Te27 to be Cs4SiTe4" +mp-631365,TeRuPb,-4.3552916733,1.0214934944,1.4326556167,1.4326556167,GGA,F-43m,ABC_cF12_216_c_a_b:Pb-Ru-Te,3.0,ABC_cF12_216_c_a_b:Pb-Ru-Te +mp-30139,BeBr2,-3.7370800183,-1.4552568433,0.0,-1.4552568433,GGA,Ibam,AB2_oI12_72_a_j:Be-Br,6.0,AB2_oI12_72_a_j:Be-Br +mp-631505,BeCuBr,-2.5871392367,0.5434100517,1.3061320233,1.3061320233,GGA,F-43m,ABC_cF12_216_a_b_c:Be-Br-Cu,3.0,ABC_cF12_216_a_b_c:Be-Br-Cu +mp-1184836,HoLuPd2,-5.805540375,-0.9397596225,0.018957645,0.018957645,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Pd +mp-1212706,FeAgBr4,-3.7908384504,-0.8717233615000001,0.0,-0.0952642546,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ag-Br-Fe,24.0,AB4C_mP24_14_e_4e_e:Ag-Br-Fe +mp-862982,Ag2Br3,-2.70858739,-0.6437479907,0.0,-0.102735504,GGA,R-3c,A2B3_hR30_167_c_e:Ag-Br,10.0,A2B3_hR30_167_c_e:Ag-Br +mp-1183272,Ag3Br,-2.58437952,-0.071705435,0.2664273692,0.2664273692,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Br,8.0,A3B_hP8_194_h_c:Ag-Br +mp-570301,AgBr,-2.827518755,-0.6347265883000001,0.04153902,-0.0982699294,GGA,P2_1/m,AB_mP4_11_e_e:Ag-Br,4.0,AB_mP4_11_e_e:Ag-Br +mp-23231,AgBr,-2.831764285,-0.6389721183,0.03729349,-0.1025154594,GGA,Fm-3m,AB_cF8_225_a_b:Ag-Br,2.0,AB_cF8_225_a_b:Ag-Br +mp-866291,AgBr,-2.869057775,-0.6762656083,0.0,-0.1398089494,GGA,F-43m,AB_cF8_216_a_c:Ag-Br,2.0,AB_cF8_216_a_c:Ag-Br +mp-1060967,AgBr,-2.6474185500000003,-0.4546263833,0.221639225,0.0818302756,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Br,2.0,AB_cP2_221_a_b:Ag-Br +mp-867895,Sm2CuRu,-5.9358682725000005,-0.2331729025,0.0124762663,0.0124762663,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Cu-Ru-Sm +mp-1186795,PuPbAu2,-6.4733295275,-0.3412671775,0.0,-0.0387635683,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Pu,4.0,A2BC_cF16_225_c_a_b:Au-Pb-Pu +mp-21172,PuPb3,-6.521783735,-0.17033885,0.0,-0.0457308181,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Pu,4.0,A3B_cP4_221_c_a:Pb-Pu +mp-1102374,PuPb2,-7.3971881992,-0.1661440425,0.0,-0.0038482079,GGA,I4_1/amd,A2B_tI24_141_2e_e:Pb-Pu,12.0,A2B_tI24_141_2e_e:Pb-Pu +mp-1188287,Pu5Pb3,-10.1616024912,0.1480391163,0.2833388593,0.2833388593,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Pb-Pu,16.0,A3B5_tI32_140_ah_bk:Pb-Pu +mp-20262,Pu3Pb,-11.7511212725,-0.1220807575,0.0,-0.0597767416,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Pu,4.0,AB3_cP4_221_a_c:Pb-Pu +mp-1097488,HfTc2Mo,-6.380724655,4.0003046025,4.29476829,4.2718615006,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Mo-Tc,4.0,ABC2_oI8_71_a_b_e:Hf-Mo-Tc +mp-1184589,HfTc2Mo,-10.675492945,-0.2944636875,0.0,-0.0229067894,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Mo-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Mo-Tc +mp-866219,HfSnRu2,-8.7672900525,-0.6383985612,0.0,-0.1488585864,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Sn +mp-1097556,ZrBeRh2,-4.5236618325,2.2302704763,2.9326890612,2.9326890612,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Be-Rh-Zr +mp-1213425,Dy4InIr,-5.585796465,-0.58291892,0.0,-0.032684889,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-In-Ir,24.0,A4BC_cF96_216_efg_e_e:Dy-In-Ir +mp-22723,DyInIr,-6.1054275111,-0.7064592611,0.0,-0.0675085993,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-In-Ir,9.0,ABC_hP9_189_f_g_ad:Dy-In-Ir +mp-1185457,Lu2CoCu,-5.3369383325,-0.2745819562,0.0,-0.0084945549,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cu-Lu,4.0,ABC2_cF16_225_a_b_c:Co-Cu-Lu +mp-1096652,CaTlAg2,-1.5160790875,0.9922596708,1.245079715,1.245079715,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Tl,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Tl +mp-1096035,Ca2TlAg,-1.17031271,1.1312870175,1.52258317,1.52258317,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Tl,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Tl +mp-27283,TlPb2Cl5,-3.8936683194,-1.514840746,0.0,-0.0131336744,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-Pb-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Cl-Pb-Tl +mp-676598,TlPbCl3,-3.7661071853,-1.4419271459,0.0347458793,0.0347458793,GGA,Fmm2,A3BC_oF160_42_2a2cd4e_2abcd_cde:Cl-Pb-Tl,40.0,"Invalid WP multiplicities - A3BC_oF160_42_2a2c4d12e_2a2b2c2d_2cd2e:Cl-Pb-Tl, expected Tl7Pb7Cl31 to be TlPbCl3" +mp-674359,Tl3PbCl5,-3.6287854342,-1.4017565664,0.0070627328,0.0070627328,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:Cl-Pb-Tl,36.0,"Invalid WP multiplicities - A5BC3_oP36_19_17a_a_9a:Cl-Pb-Tl, expected Tl9PbCl17 to be Tl3PbCl5" +mp-30519,Tl3PbCl5,-3.6272751878,-1.40024632,0.0085729792,0.0085729792,GGA,P4_1,A5BC3_tP36_76_5a_a_3a:Cl-Pb-Tl,36.0,A5BC3_tP36_76_5a_a_3a:Cl-Pb-Tl +mp-1192674,Ba(LuSe2)2,-5.7811681971,-2.2176650699,0.0,-0.04209901,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Lu-Se,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Lu-Se +mp-1097497,CaSbRh2,-3.270858175,1.94494604,2.5251513852,2.5251513852,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Rh-Sb,4.0,AB2C_oI8_71_a_e_b:Ca-Rh-Sb +mp-1206619,Dy7(TePt)2,-5.6218902727,-1.014946063,0.044104018,0.044104018,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Dy-Pt-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Dy-Pt-Te +mp-1184618,Ho2TlHg,-3.3604756425,-0.4026903296,0.0,-0.00188281,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Ho-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Ho-Tl +mp-1193806,Er3(SbPd2)4,-5.6051719287,-0.8279575373,0.0370847416,0.0370847416,GGA,Fm-3m,A3B8C4_cF120_225_e_2f_abd:Er-Pd-Sb,30.0,A3B8C4_cF120_225_e_2f_abd:Er-Pd-Sb +mp-11836,ErSbPd,-5.7415874167,-1.1160534633,0.0,-0.1271722794,GGA,F-43m,ABC_cF12_216_a_c_b:Er-Pd-Sb,3.0,ABC_cF12_216_a_c_b:Er-Pd-Sb +mp-1213250,Er5SbPd2,-5.4499449988,-0.784025135,0.0108231994,0.0108231994,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Er-Pd-Sb,16.0,A5B2C_tI32_140_cl_h_a:Er-Pd-Sb +mp-19798,EuGePt,-7.9049292217,-0.92120823,0.0,-0.0898555283,GGA,P2_13,ABC_cP12_198_a_a_a:Eu-Ge-Pt,12.0,ABC_cP12_198_a_a_a:Eu-Ge-Pt +mp-19763,EuGe3Pt,-6.694285784,-0.654842047,0.0,-0.0715307825,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-Ge-Pt,5.0,AB3C_tI10_107_a_ab_a:Eu-Ge-Pt +mp-1080180,Eu(GePt)2,-7.167537978,-0.8384731480000001,0.0,-0.098332663,GGA,P2_1/m,AB2C2_mP10_11_e_2e_2e:Eu-Ge-Pt,10.0,AB2C2_mP10_11_e_2e_2e:Eu-Ge-Pt +mp-607169,Eu(GePt)2,-7.057635872,-0.728571042,0.109902106,0.011569443,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Eu-Ge-Pt,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_6e_6e:Eu-Ge-Pt, expected Eu(GePt)6 to be Eu(GePt)2" +mp-1184807,Eu(Ge3Pt)4,-5.6573029976,-0.3621342129,0.0123977887,0.0123977887,GGA,Im-3,AB12C4_cI34_204_a_g_c:Eu-Ge-Pt,17.0,AB12C4_cI34_204_a_g_c:Eu-Ge-Pt +mp-1212923,Dy4MgIr,-5.2423725054,-0.4313955738,0.0,-0.0159150283,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-Ir-Mg,24.0,A4BC_cF96_216_efg_e_e:Dy-Ir-Mg +mp-1208825,Sr2InBr5,-3.8968131581,-2.1598366223,0.0060903694,0.0060903694,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-In-Sr,32.0,A5BC2_mP32_14_5e_e_2e:Br-In-Sr +mp-1212948,ErZnSn,-3.8350574683,-0.5560460433000001,0.0,-0.0488230108,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Er-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Er-Sn-Zn +mp-1071468,TbMgSn,-3.994715075,-0.57997574,0.0,-0.0807738479,GGA,I4/mmm,ABC_tI12_139_c_e_e:Mg-Sn-Tb,6.0,ABC_tI12_139_c_e_e:Mg-Sn-Tb +mp-1224928,Gd(AlFe)6,-7.1015796577,-0.3808331592,0.0,-0.0462256888,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Gd,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Gd +mp-1104719,Gd(Al2Fe)4,-6.4039320046,-0.4100232569,0.0,-0.0330005946,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Gd,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Gd +mp-1225145,Gd2AlFe3,-9.660539615,-0.109225625,0.052425866,0.052425866,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Fe-Gd,6.0,AB3C2_hR18_166_a_d_c:Al-Fe-Gd +mp-1097295,Ti2IrPd,-5.03709998,2.4152250258,3.1205568929,3.1205568929,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pd-Ti,4.0,ABC2_oI8_71_a_b_e:Ir-Pd-Ti +mp-1097614,Ti2MnMo,-5.4550741625,3.4945881964,3.6609278492,3.6609278492,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Mn-Mo-Ti +mp-1096044,TiMn2Mo,-5.6533136925,3.6129794852,3.8170983144,3.8170983144,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Mo-Ti,4.0,A2BC_oI8_71_e_a_b:Mn-Mo-Ti +mp-1097437,Ti2CoMo,-5.0273243075,3.4089136771,3.66992947,3.6672025429,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Mo-Ti +mp-1187432,Ti2CoMo,-8.6972537775,-0.2610157929,0.0,-0.0027269271,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Mo-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Mo-Ti +mp-1199978,Ho11(In3Si2)2,-4.8000762198,-0.5801775498,0.0,-0.0163011507,GGA,I4/mmm,A11B6C4_tI84_139_eh2n_hm_dei:Ho-In-Si,42.0,A11B6C4_tI84_139_eh2n_hm_dei:Ho-In-Si +mp-1023181,CaMg6Ga,-1.8677373369,-0.0383153116,0.0991770268,0.0991770268,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Ga-Mg, expected CaMg12Ga to be CaMg6Ga" +mp-1023192,CaMg6Ga,-1.867711865,-0.0382898397,0.0992024987,0.0992024987,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Ga-Mg, expected CaMg12Ga to be CaMg6Ga" +mp-1097370,Ca2MgGa,-0.822825915,1.3370680431,1.6261696242,1.6261696242,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ga-Mg,4.0,A2BC_oI8_71_e_a_b:Ca-Ga-Mg +mp-1028139,CaMg14Ga,-1.7389406594,-0.0240896217,0.0569938399,0.0569938399,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Ga-Mg, expected CaMg18Ga to be CaMg14Ga" +mp-1028124,CaMg14Ga,-1.7242815706,-0.009430533,0.0716529287,0.0716529287,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Ga-Mg, expected CaMg26Ga to be CaMg14Ga" +mp-567093,Yb(SiOs)2,-7.573009604,-0.6040137640000001,0.0,-0.2470979123,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Yb,,A2B2C_tI10_139_d_e_a:Os-Si-Yb +mp-13962,HfSiSe,-7.4259641817,-1.1331580024,0.0,-0.0423113983,GGA,P4/nmm,ABC_tP6_129_c_c_a:Hf-Se-Si,6.0,ABC_tP6_129_c_c_a:Hf-Se-Si +mp-11555,PuRu,-11.859752755,-0.08863232,0.0,-0.08863232,GGA,Pm-3m,AB_cP2_221_a_b:Pu-Ru,2.0,AB_cP2_221_a_b:Pu-Ru +mp-1186843,Pu3Ru,-12.99022214,0.0292572425,0.0735734025,0.0735734025,GGA,I4/mmm,A3B_tI8_139_ad_b:Pu-Ru,4.0,A3B_tI8_139_ad_b:Pu-Ru +mp-2425174,PuRu2,-10.5983673117,0.340513825,0.3996020383,0.3996020383,GGA,R-3m,AB2_hR18_166_c_ad:Pu-Ru,6.0,"Invalid WP multiplicities - AB2_hR18_166_c_a2d:Pu-Ru, expected Pu2Ru7 to be PuRu2" +mp-11556,PuRu2,-10.5924474467,0.34643369,0.4055219033,0.4055219033,GGA,Fd-3m,AB2_cF24_227_a_d:Pu-Ru,6.0,AB2_cF24_227_a_d:Pu-Ru +mp-1992,Pu5Ru3,-12.3904468913,0.0048530175,0.0713272575,0.0713272575,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Pu-Ru,16.0,A5B3_tI32_140_bk_ah:Pu-Ru +mp-22559,Pu(SiRu)2,-9.433712086,-0.700256192,0.0,-0.209372935,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Pu-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Pu-Ru-Si +mp-1187324,Tb3Th,-5.26963004,0.0596090975,0.0596090975,0.0596090975,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Th,4.0,A3B_tI8_139_ad_b:Tb-Th +mp-1187328,Tb3Th,-5.2678020688,0.0614370688,0.0614370688,0.0614370688,GGA,P6_3/mmc,A3B_hP8_194_h_c:Tb-Th,8.0,A3B_hP8_194_h_c:Tb-Th +mp-1187390,TbTh3,-6.6856904825,0.03329473,0.03329473,0.03329473,GGA,Pm-3m,AB3_cP4_221_a_c:Tb-Th,4.0,AB3_cP4_221_a_c:Tb-Th +mp-1217474,TbTh,-5.99894275,0.025169425,0.025169425,0.025169425,GGA,R-3m,AB_hR6_166_a_b:Tb-Th,2.0,AB_hR6_166_a_b:Tb-Th +mp-1217475,TbThRe4,-10.4416454542,-0.1372566058,0.0088116254,0.0088116254,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Re-Tb-Th,12.0,A4BC_hP12_164_abi_d_d:Re-Tb-Th +mp-1189869,Sc7CoBr12,-5.367541645,-1.8639445705,0.0,-0.1141433012,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Br-Co-Sc,20.0,A12BC7_hR60_148_2f_a_bf:Br-Co-Sc +mp-1188309,Tb6CoBr10,-4.9037997259,-1.936458685,0.0,-0.08784761,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Co-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Br-Co-Tb +mp-1097155,ZrScPt2,-4.89177093,1.8638381637,3.01900097,3.01900097,GGA,Immm,A2BC_oI8_71_e_a_b:Pt-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Pt-Sc-Zr +mp-1070498,Rb2Te2Pt,-3.834056334,-0.9702936837,0.0,-0.065170474,GGA,Immm,AB2C2_oI10_71_a_f_h:Pt-Rb-Te,5.0,AB2C2_oI10_71_a_f_h:Pt-Rb-Te +mp-1227292,Be4CuGe,-3.7763519917,0.1702956725,0.2404827725,0.2404827725,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Cu-Ge,6.0,A4BC_cF24_216_e_a_c:Be-Cu-Ge +mp-1183601,CaGdRh2,-8.28725612,-0.5846716550000001,0.0,-0.0035266886,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Gd-Rh +mp-1186348,NdGd3,-11.730875525,0.0182530131,0.0182530131,0.0182530131,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-Nd,4.0,A3B_cP4_221_c_a:Gd-Nd +mp-1186378,NdGdIr2,-9.7786232875,-0.6483387794000001,0.0,-0.11383535,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ir-Nd,4.0,AB2C_cF16_225_a_c_b:Gd-Ir-Nd +mp-582464,NdGd2,-9.3187588867,1.6547050842000002,1.6547050842000002,1.6547050842000002,GGA,P6/mmm,A2B_hP3_191_c_b:Gd-Nd,3.0,A2B_hP3_191_c_b:Gd-Nd +mp-1186574,PmGaPd2,-5.2481943475,-0.7135938563,0.0198574533,0.0198574533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Ga-Pd-Pm +mp-28532,CrInBr3,-4.4378230755,-1.0250598375,0.0499958158,0.0499958158,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Br-Cr-In,20.0,A3BC_mP20_14_3e_e_e:Br-Cr-In +mp-567624,CrBr2,-5.3138662267,-1.0608315167,0.0772509489,0.0772509489,GGA,C2/m,A2B_mC6_12_i_a:Br-Cr,3.0,A2B_mC6_12_i_a:Br-Cr +mp-1183765,CrBr2,-5.3055247083,-1.0524899983,0.0855924672,0.0855924672,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Cr,6.0,A2B_tP6_136_f_a:Br-Cr +mp-27734,CrBr3,-4.8583758888,-1.2803427738,0.0,-0.4847191362,GGA,R-3,A3B_hR24_148_f_c:Br-Cr,8.0,A3B_hR24_148_f_c:Br-Cr +mp-649213,Th6FeBr15,-5.4568655623,-1.991020305,0.0,-0.0652547137,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Br-Fe-Th,22.0,"Invalid WP multiplicities - A15BC6_cI44_229_2b2h_a_e:Br-Fe-Th, expected Th6FeBr30 to be Th6FeBr15" +mp-1185027,LaYbAu2,-4.157153335,-0.9013084888,0.0,-0.0111186062,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Yb,,A2BC_cF16_225_c_a_b:Au-La-Yb +mp-22742,EuSn2Ir,-7.38730014,-0.6086552175000001,0.0,-0.0821429389,GGA,Cmcm,ABC2_oC16_63_c_c_f:Eu-Ir-Sn,8.0,ABC2_oC16_63_c_c_f:Eu-Ir-Sn +mp-1213142,Eu3Sn13Ir4,-6.3886913992,-0.4762325875,0.0,-0.0269288624,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Eu-Ir-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Eu-Ir-Sn +mp-1210928,Lu4InRh,-5.2827211363,-0.5827555229,0.0,-0.0576340607,GGA,F-43m,AB4C_cF96_216_e_efg_e:In-Lu-Rh,24.0,AB4C_cF96_216_e_efg_e:In-Lu-Rh +mp-11101,LuInRh,-5.6287822025,-0.7498014958,0.0,-0.0244266042,GGA,Pnma,ABC_oP12_62_c_c_c:In-Lu-Rh,12.0,ABC_oP12_62_c_c_c:In-Lu-Rh +mp-865884,LuInRh2,-6.3217409525,-0.8214284550000001,0.0,-0.0998070575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:In-Lu-Rh +mp-961666,MnNbAs,-7.6517334167,0.322412829,0.7734095757,0.7734095757,GGA,F-43m,ABC_cF12_216_a_b_c:As-Mn-Nb,3.0,ABC_cF12_216_a_b_c:As-Mn-Nb +mp-1215836,Yb2AgPd,-3.4239299225,-0.6510163292000001,0.0,-0.0132496375,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Pd-Yb,,ABC2_tP4_123_a_b_h:Ag-Pd-Yb +mp-979989,Yb2AgPd,-3.4102713825,-0.6373577892,0.01365854,0.0004089025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pd-Yb,,ABC2_cF16_225_a_b_c:Ag-Pd-Yb +mp-866177,YbAgPd2,-4.270343185,-0.5873612092,0.0,-0.0147375034,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pd-Yb,,AB2C_cF16_225_a_c_b:Ag-Pd-Yb +mp-1200816,Gd6(Ga3Co)7,-6.2893011018,-0.4715077348,0.0358263,0.0358263,GGA,P4/mbm,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Gd,68.0,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Gd +mp-1102482,Gd2Ga8Co,-5.8930463691,-0.485289055,0.0074741318,0.0074741318,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Gd,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Gd +mp-866687,Gd4Ga16Co3,-5.9943329022,-0.5126381759,0.0,-0.020182702,GGA,P4/mmm,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Gd,23.0,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Gd +mp-648086,GdGa2Co,-7.3506336525,-0.5404756325,0.0,-0.0486349969,GGA,Cmmm,AB2C_oC16_65_g_acg_h:Co-Ga-Gd,8.0,AB2C_oC16_65_g_acg_h:Co-Ga-Gd +mp-866782,Gd2(Ga3Co)3,-5.9656053411,-0.484886622,0.0,-0.0180724254,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Gd,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Gd +mp-961669,NbGaPt,-6.4886182667,-0.0884401392,0.4601856833,0.4601856833,GGA,F-43m,ABC_cF12_216_a_c_b:Ga-Nb-Pt,3.0,ABC_cF12_216_a_c_b:Ga-Nb-Pt +mp-862745,Sr2LiPt,-3.2315818575,-0.3918210842,0.1192377422,0.1192377422,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pt-Sr,4.0,ABC2_cF16_225_a_b_c:Li-Pt-Sr +mp-998153,TlGeBr3,-3.379834652,-1.0508834537,0.027999738,-0.00305107,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Ge-Tl,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Ge-Tl, expected TlGeBr5 to be TlGeBr3" +mp-998746,TlGeBr3,-3.40783439,-1.0788831917,0.0,-0.031050808,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Ge-Tl,20.0,A3BC_oP20_62_3c_c_c:Br-Ge-Tl +mp-1187554,Tl3Ge,-2.7746749525,0.1530643713,0.1530643713,0.1530643713,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Tl,4.0,AB3_tI8_139_a_bd:Ge-Tl +mp-981310,Tl3Ge,-2.758763585,0.1689757387,0.1689757387,0.1689757387,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Tl,8.0,AB3_hP8_194_c_h:Ge-Tl +mp-1187495,Tl3Ge,-2.7512799875,0.1764593363,0.1764593363,0.1764593363,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Tl,4.0,AB3_cP4_221_a_c:Ge-Tl +mp-1185397,LiNdAu2,-3.9698013025,-0.6635927277,0.0116676819,0.0116676819,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Li-Nd +mp-1101894,FeAsSe,-6.0202752717,-0.4785915741,0.0,-0.0116732475,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Fe-Se,12.0,ABC_mP12_14_e_e_e:As-Fe-Se +mp-865813,YbMgTl2,-2.2918801525,-0.3255864967,0.0,-0.0632045338,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Tl-Yb,,AB2C_cF16_225_a_c_b:Mg-Tl-Yb +mp-1187897,Yb2MgTl,-2.04597981,-0.2854448708,0.0,-0.0011010601,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tl-Yb,,ABC2_cF16_225_a_b_c:Mg-Tl-Yb +mp-983229,Pm2ZnRh,-5.0306333725,-0.4993493412,0.0,-0.1847514104,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Rh-Zn +mp-1186679,PmZnRh2,-5.7068560675,-0.5221306494,0.0,-0.1050517767,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Zn +mp-1206305,ZnBr6,-1.7457724814,-0.2346419686,0.3326172354,0.3326172354,GGA,Cmmm,A6B_oC14_65_kp_a:Br-Zn,7.0,A6B_oC14_65_kp_a:Br-Zn +mp-1178766,ZnBr2,-2.66908632,-1.2138195633,0.109785246,-1.0313202544,GGA,C2/m,A2B_mC6_12_i_a:Br-Zn,3.0,A2B_mC6_12_i_a:Br-Zn +mp-647579,ZnBr2,-2.7788715660000003,-1.3236048094,0.0,-1.1411055005,GGA,I4_1/acd,A2B_tI96_142_deg_g:Br-Zn,48.0,"Invalid WP multiplicities - A2B_tI96_142_8d6e9g_g:Br-Zn, expected ZnBr16 to be ZnBr2" +mp-569960,ZnBr2,-2.6936081400000003,-1.2383413833,0.085263426,-1.0558420744,GGA,R-3m,A2B_hR9_166_c_a:Br-Zn,3.0,A2B_hR9_166_c_a:Br-Zn +mp-28829,Li2ZnBr4,-3.2359457425,-1.6231310763,0.0171873487,0.0171873487,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:Br-Li-Zn,28.0,A4B2C_oP28_62_2cd_ac_c:Br-Li-Zn +mp-1205903,NdMgAu,-3.8647008656,-0.6505977047,0.0,-0.0815044675,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Mg-Nd,9.0,ABC_hP9_189_ad_g_f:Au-Mg-Nd +mp-866064,NdMgAu2,-3.96256841,-0.7335205394000001,0.0,-0.0258311881,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Nd +mp-607738,CeZnRh,-5.5329503446,-0.6805701329,0.0,-0.1048384042,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Ce-Rh-Zn,24.0,"Invalid WP multiplicities - ABC_oP24_62_5c_4c_6c:Ce-Rh-Zn, expected Ce5(Zn3Rh2)2 to be CeZnRh" +mp-1184634,Ho2ZnAg,-3.647896345,-0.3336170067,0.01193662,0.01193662,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-Zn +mp-1102457,ErAlPt,-5.9635394725,-1.1687301525,0.0,-0.1247070975,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Er-Pt,12.0,ABC_oP12_62_c_c_c:Al-Er-Pt +mp-31475,Er4(Al8Pt3)3,-5.3037422754,-0.903609977,0.0,-0.0994008873,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Er-Pt,37.0,"Invalid WP multiplicities - A24B4C9_aP37_2_13i_2i_a5i:Al-Er-Pt, expected Er4Al26Pt11 to be Er4(Al8Pt3)3" +mp-1095733,TiBe2Rh,-2.818353025,2.8663033792,3.3665121313,3.3665121313,GGA,I4/mmm,A2BC_tI8_139_e_a_b:Be-Rh-Ti,4.0,A2BC_oI8_71_e_a_b:Be-Rh-Ti +mp-866143,TiBeRh2,-7.3826919375,-0.7918117821,0.0,-0.1172177575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Be-Rh-Ti +mp-11073,Ti3In3Rh2,-6.2931493275,-0.459381455,0.0,-0.0355270466,GGA,P-62m,A3B2C3_hP8_189_f_c_g:In-Rh-Ti,8.0,A3B2C3_hP8_189_f_c_g:In-Rh-Ti +mp-866170,TiInRh2,-6.987509205,-0.6435613333,0.0,-0.0304905629,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:In-Rh-Ti +mp-10668,Yb(SiAg)2,-3.902706702,-0.2916354327,0.0,-0.0459791869,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Si-Yb,,A2B2C_tI10_139_d_e_a:Ag-Si-Yb +mp-16241,YbSiAg,-3.5975369567,-0.3317095189,0.0548502794,0.0548502794,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Si-Yb,,ABC_hP9_189_f_bc_g:Ag-Si-Yb +mp-1185267,LiNpRu2,-8.254206405,0.097170502,0.097170502,0.097170502,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Np-Ru,4.0,ABC2_cF16_225_a_b_c:Li-Np-Ru +mp-1186509,Pm2GaRu,-5.7822322075,-0.3313364056,0.0,-0.1099517353,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Ga-Pm-Ru +mp-1185463,Lu2CdTc,-5.2367262625,-0.1553688263,0.1009257694,0.1009257694,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Cd-Lu-Tc +mp-1186606,PmLuIn2,-4.12884405,-0.4351289744,0.0,-0.0798803291,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Pm,4.0,A2BC_cF16_225_c_a_b:In-Lu-Pm +mp-865894,YbPmAu2,-4.102091645,-0.8926129944000001,0.0,-0.19175111,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Yb,,A2BC_cF16_225_c_a_b:Au-Pm-Yb +mp-20444,GdIn2Rh,-7.3505283537,-0.6145789612,0.0,-0.0136081575,GGA,Cmcm,AB2C_oC16_63_c_f_c:Gd-In-Rh,8.0,AB2C_oC16_63_c_f_c:Gd-In-Rh +mp-623043,GdInRh,-8.8041277767,-0.7400898300000001,0.0,-0.0629193658,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-In-Rh,9.0,ABC_hP9_189_f_g_ad:Gd-In-Rh +mp-1206181,GdIn5Rh,-5.45051045,-0.4221034843,0.0,-0.0328757614,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Gd-In-Rh,7.0,AB5C_tP7_123_a_ci_b:Gd-In-Rh +mp-1096262,MgZr2Tc,-4.2167425825,3.0473374812,3.1707830813,3.1707830813,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Mg-Tc-Zr +mp-1223111,La4Bi2Pb,-5.2815096164,-0.8332733664,0.0059643238,0.0059643238,GGA,I-42d,A2B4C_tI28_122_d_e_a:Bi-La-Pb,14.0,A2B4C_tI28_122_d_e_a:Bi-La-Pb +mp-1223136,La8(BiPb)3,-5.2202370329,-0.7811323586000001,0.0049146625,0.0049146625,GGA,C2,A3B8C3_mC28_5_ac_4c_bc:Bi-La-Pb,14.0,"Invalid WP multiplicities - A3B8C3_mC28_5_ac_7c_bc:Bi-La-Pb, expected La14(BiPb)3 to be La8(BiPb)3" +mp-1223139,La4BiPb2,-5.1594213943,-0.7294482957,0.0034080562,0.0034080562,GGA,I-42d,AB4C2_tI28_122_a_e_d:Bi-La-Pb,14.0,AB4C2_tI28_122_a_e_d:Bi-La-Pb +mp-861664,LiTmAu2,-3.9632335625,-0.73010299,0.0013825021,0.0013825021,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Tm,4.0,A2BC_cF16_225_c_a_b:Au-Li-Tm +mp-976260,LiTm2Au,-3.9663417975,-0.4327228692,0.0641514723,0.0641514723,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Tm,4.0,ABC2_cF16_225_a_b_c:Au-Li-Tm +mp-866020,YbSmHg2,-2.291214985,-0.5748261987000001,0.0,-0.1008033331,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sm-Yb,,A2BC_cF16_225_c_a_b:Hg-Sm-Yb +mp-1219883,Pr2Nd2Sb3,-5.6430770007,-1.14520413,0.0006764414,0.0006764414,GGA,I2_13,A2B2C3_cI28_199_a_a_b:Nd-Pr-Sb,14.0,A2B2C3_cI28_199_a_a_b:Nd-Pr-Sb +mp-1219713,PrNdSb2,-5.72530329,-1.2735393731,0.0061092675,0.0061092675,GGA,R-3m,ABC2_hR12_166_a_b_c:Nd-Pr-Sb,4.0,ABC2_hR12_166_a_b_c:Nd-Pr-Sb +mp-1219742,PrNdSb,-5.4772045317,-0.9178530558,0.0045779228,0.0045779228,GGA,I4/mmm,ABC_tI12_139_c_e_e:Nd-Pr-Sb,6.0,ABC_tI12_139_c_e_e:Nd-Pr-Sb +mp-1219753,PrNdSb4,-5.2731061733,-0.9289298154,0.0013851958,0.0013851958,GGA,C2/m,ABC4_mC24_12_i_i_2ij:Nd-Pr-Sb,12.0,ABC4_mC24_12_i_i_2ij:Nd-Pr-Sb +mp-1096417,Li2PtAu,-2.3035974225,0.9871178408,1.56195292,1.56195292,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Li-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Li-Pt +mp-1225184,Er(Fe5Re)2,-8.8256005531,-0.0442939931,0.0184509092,0.0184509092,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Er-Fe-Re,13.0,AB10C2_oI26_71_a_efhk_g:Er-Fe-Re +mp-1215385,Zr4TaGe4,-7.9386215289,-0.7674335767,0.0,-0.0172360471,GGA,P4_1,A4BC4_tP36_76_4a_a_4a:Ge-Ta-Zr,36.0,A4BC4_tP36_76_4a_a_4a:Ge-Ta-Zr +mp-1205521,CaTlBr3,-3.773300504,-1.9678349007,0.0,-0.015735732,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Br-Ca-Tl,10.0,A3BC_oC20_63_cf_a_c:Br-Ca-Tl +mp-11204,Tm6FeSb2,-5.4388275644,-0.5962679833,0.0,-0.0226138719,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sb-Tm,9.0,AB2C6_hP9_189_a_d_fg:Fe-Sb-Tm +mp-864806,NaAcHg2,-1.8728086575,-0.3600433998,0.0,-0.0777463556,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Na +mp-1080133,SrGa3Pd,-3.805619848,-0.6148871818,0.0,-0.0497581295,GGA,Cmcm,A3BC_oC20_63_ce_c_c:Ga-Pd-Sr,10.0,A3BC_oC20_63_ce_c_c:Ga-Pd-Sr +mp-1197289,CeSnPd4,-5.8328659698,-0.7225012615,0.0095728806,0.0095728806,GGA,Cmce,AB4C_oC96_64_2f_d3f2g_2e:Ce-Pd-Sn,48.0,AB4C_oC96_64_2f_d3f2g_2e:Ce-Pd-Sn +mp-1206052,Ce2SnPd2,-6.078011348,-0.830908591,0.0,-0.0551083585,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Pd-Sn,10.0,A2B2C_tP10_127_h_g_a:Ce-Pd-Sn +mp-1191226,CeSn3Pd2,-5.3624815037,-0.6422201137,0.0,-9.85993e-05,GGA,Pbcm,AB2C3_oP24_57_d_cd_c2d:Ce-Pd-Sn,24.0,AB2C3_oP24_57_d_cd_c2d:Ce-Pd-Sn +mp-1080026,Ce(SnPd)2,-5.584014916,-0.721615619,0.0,-0.006146537,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Pd-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Pd-Sn +mp-21490,CeSnPd,-5.8787526475,-0.8379050408000001,0.0,-0.0698512823,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Ce-Pd-Sn +mp-19766,CeSnPd,-5.8725297644,-0.8316821578,0.0062228831,-0.0636283992,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Pd-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Ce-Pd-Sn, expected Ce3Sn3Pd5 to be CeSnPd" +mp-1104512,Ce(Sn2Pd)2,-5.1815537143,-0.5628194007,0.0173950991,0.0173950991,GGA,Cmcm,AB2C4_oC28_63_c_e_2g:Ce-Pd-Sn,14.0,AB2C4_oC28_63_c_e_2g:Ce-Pd-Sn +mp-1202847,Ce4Sn25Pd12,-5.0270256751,-0.4872638528,0.0355612389,0.0355612389,GGA,Im-3,A4B12C25_cI82_204_c_g_a2g:Ce-Pd-Sn,41.0,A4B12C25_cI82_204_c_g_a2g:Ce-Pd-Sn +mp-1215117,Ce3(Sn3Pd2)2,-5.5229750696,-0.7094192362,0.0,-0.0076631614,GGA,Pnma,A3B4C6_oP52_62_3c_4c_6c:Ce-Pd-Sn,52.0,A3B4C6_oP52_62_3c_4c_6c:Ce-Pd-Sn +mp-1213840,Ce8SnPd24,-6.1238220915,-0.7968084995,0.0237414336,0.0237414336,GGA,Pm-3m,A8B24C_cP33_221_g_efh_a:Ce-Pd-Sn,33.0,A8B24C_cP33_221_g_efh_a:Ce-Pd-Sn +mp-1103022,TmGaPd,-5.1276659383,-0.8997281864000001,0.0,-0.0528401133,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Tm,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Tm +mp-1216901,Tm6Ga17Pd5,-4.3863974121,-0.663824056,0.0046339688,0.0046339688,GGA,C2/m,A17B5C6_mC56_12_a8i_d2i_3i:Ga-Pd-Tm,28.0,"Invalid WP multiplicities - A17B5C6_mC56_12_a12i_c3i_4i:Ga-Pd-Tm, expected Tm8Ga25Pd7 to be Tm6Ga17Pd5" +mp-11392,TmGa2Pd,-4.7235796,-0.7956022804,0.0,-0.0433639866,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Pd-Tm,8.0,A2BC_oC16_63_f_c_c:Ga-Pd-Tm +mp-1188759,Tm4Ga12Pd,-4.0752826894,-0.5799664675,0.0,-0.018549773,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pd-Tm,17.0,A12BC4_cI34_229_de_a_c:Ga-Pd-Tm +mp-1187596,TmGaPd2,-5.31658073,-0.8506569635000001,0.0185881177,0.0185881177,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Ga-Pd-Tm +mp-1222588,Mg8Ni3Pd,-3.2033154125,-0.2597710583,0.0031184608,0.0031184608,GGA,P2,A8B3C_mP36_3_4a4b4c6e_2bc6d_2ac:Mg-Ni-Pd,36.0,"Invalid WP multiplicities - A8B3C_mP36_3_4a4b4c12e_a2b6d_a2c:Mg-Ni-Pd, expected Mg12Ni3Pd to be Mg8Ni3Pd" +mp-1078820,DyMgAg,-3.2836950956,-0.2704874644,0.0,-0.0296943847,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Dy-Mg,9.0,ABC_hP9_189_ad_f_g:Ag-Dy-Mg +mp-862680,DyMgAg2,-3.2818139275,-0.3137692033,0.0,-0.021381095,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-Mg +mp-1183812,CePmMg2,-3.4807733175,-0.0097254231,0.0759521625,0.0759521625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Ce-Mg-Pm +mp-1212705,GdAlRh,-9.2893340767,-0.8939987633,0.0,-0.1057528692,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Gd-Rh,12.0,ABC_oP12_62_c_c_c:Al-Gd-Rh +mp-1213364,Gd2(Al3Rh)3,-6.8240576586,-0.8272469043,0.0,-0.093392158,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Gd-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Gd-Rh +mp-1080547,CeMgAg,-3.5872722422,-0.1319638394,0.0351725228,0.0351725228,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Ce-Mg,9.0,ABC_hP9_189_ad_f_g:Ag-Ce-Mg +mp-865037,CeMgAg2,-3.475682195,-0.1760618921,0.01867574,0.01867574,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ce-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Ce-Mg +mp-31175,CeMg2Ag,-3.0050838125,-0.0135324979,0.1212627433,0.1212627433,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ce-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Ce-Mg +mp-983126,HoTmZn2,-3.2481081625,-0.3536752842,0.0004258275,0.0004258275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Tm-Zn +mp-1220408,NbAlZn,-5.3505285042,-0.3149870108,0.0,-0.0310001429,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Nb-Zn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Nb-Zn, expected Nb3(AlZn)2 to be NbAlZn" +mp-864962,CaAcZn2,-2.434186845,-0.2726213181,0.0,-0.0454419844,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Zn +mp-974751,Rb3Zn,-0.8615361925,0.1888002644,0.2017397911,0.2017397911,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Zn,4.0,A3B_tI8_139_ad_b:Rb-Zn +mp-1190975,Rb2Zn5Sb4,-2.5448672177,-0.2925225673,0.0,-0.0601108055,GGA,Cmcm,A2B4C5_oC44_63_e_fg_cfg:Rb-Sb-Zn,22.0,A2B4C5_oC44_63_e_fg_cfg:Rb-Sb-Zn +mp-2504,RbZn13,-1.2878611707,-0.0480610991,0.0,-0.0480610991,GGA,Fm-3c,AB13_cF112_226_a_bi:Rb-Zn,28.0,AB13_cF112_226_a_bi:Rb-Zn +mp-1103258,EuSiPt,-8.2653421925,-1.0141911425,0.0,-0.1125612408,GGA,P2_13,ABC_cP12_198_a_a_a:Eu-Pt-Si,12.0,ABC_cP12_198_a_a_a:Eu-Pt-Si +mp-1076931,Eu(SiPt)2,-7.547923722,-0.8979428220000001,0.0058921943,0.0058921943,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Pt-Si +mp-1212688,EuSi2Pt,-7.6621310575,-0.8674382625,0.0,-0.0553739605,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Eu-Pt-Si,8.0,ABC2_oC16_63_c_c_2c:Eu-Pt-Si +mp-1105156,Eu2Si5Pt3,-7.4389561995,-0.8535568285,0.0,-0.0339121573,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Eu-Pt-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Eu-Pt-Si +mp-1206050,EuSiPt2,-7.9847751812,-1.0286285637,0.0,-0.1021426496,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Eu-Pt-Si,,AB2C_oC16_63_c_2c_c:Eu-Pt-Si +mp-1216945,TiInPt2,-6.3853378375,-0.6879772408,0.0728919053,0.0728919053,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Pt-Ti,4.0,AB2C_tP4_123_a_h_b:In-Pt-Ti +mp-676072,Ce2PbSe4,-5.9332901471,-1.7100799628,0.019164567,0.019164567,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ce-Pb-Se,14.0,A2BC4_tI28_122_d_a_e:Ce-Pb-Se +mp-1223662,IrOsRu,-9.7498286833,0.0302393667,0.0632997946,0.0632997946,GGA,P3m1,ABC_hP3_156_a_b_c:Ir-Os-Ru,3.0,ABC_hP3_156_a_b_c:Ir-Os-Ru +mp-865951,Ac2IrAu,-5.7066936875,-0.6180271387,0.0,-0.388392264,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Au-Ir,4.0,A2BC_cF16_225_c_a_b:Ac-Au-Ir +mp-1205473,Zr5AgPb3,-6.5477452406,-0.2467452002,0.0,-0.1159981614,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ag-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ag-Pb-Zr +mp-862765,LiGd2Ir,-10.2462455425,-0.5213451608,0.0,-0.3278925836,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Gd-Ir-Li +mp-530409,Hf3(Bi5Cl9)2,-4.7251189145,-1.4493086477,0.0420942065,0.0420942065,GGA,P6_3,A10B18C3_hP62_173_a3c_6c_c:Bi-Cl-Hf,62.0,"Invalid WP multiplicities - A10B18C3_hP62_173_2a14c_36c_c:Bi-Cl-Hf, expected Hf3(Bi11Cl27)4 to be Hf3(Bi5Cl9)2" +mp-1095922,Ta2RePt,-6.509742865,4.0480610763,4.4576072606,4.4576072606,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Pt-Re-Ta +mp-1093537,TlIn2Pb,-1.7978203625,1.0968440567,1.098744485,1.098744485,GGA,Immm,A2BC_oI8_71_e_a_b:In-Pb-Tl,4.0,A2BC_oI8_71_e_a_b:In-Pb-Tl +mp-1097395,Tl2InPb,-1.71852189,1.0788823833,1.0807828117,1.0807828117,GGA,Immm,ABC2_oI8_71_a_b_e:In-Pb-Tl,4.0,ABC2_oI8_71_a_b_e:In-Pb-Tl +mp-1097346,TlInPb2,-1.8958304225,1.2390748317,1.2415627583,1.2415627583,GGA,Immm,AB2C_oI8_71_a_e_b:In-Pb-Tl,4.0,AB2C_oI8_71_a_e_b:In-Pb-Tl +mp-864782,Ta2MoRu,-11.329807245,-0.3709052675,0.0,-0.1575530825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Mo-Ru-Ta +mp-1185020,LaHoTl2,-3.9371052075,-0.3761796404,0.0,-0.0067519795,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-La-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-La-Tl +mp-20914,NdIn2Ir,-5.307781645,-0.5302943769,0.0,-0.0179472835,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ir-Nd,8.0,A2BC_oC16_63_f_c_c:In-Ir-Nd +mp-1186874,Rb3Sm,-1.29638686,0.6186602281,0.6186602281,0.6186602281,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Sm,4.0,A3B_tI8_139_ad_b:Rb-Sm +mp-978034,Rb3Sm,-1.30461439,0.6104326981,0.6104326981,0.6104326981,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Sm,4.0,A3B_cP4_221_c_a:Rb-Sm +mp-974816,Rb3Sm,-1.284559635,0.6304874531,0.6304874531,0.6304874531,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Sm,4.0,A3B_cF16_225_ac_b:Rb-Sm +mp-1209565,RbSm2Br5,-4.2832798294,-2.0104238303,0.1024098085,0.1024098085,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-Rb-Sm,32.0,A5BC2_mP32_14_5e_e_2e:Br-Rb-Sm +mp-1209518,Rb2SmBr5,-4.0654898013,-2.25989031,0.0,-0.04515139,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-Rb-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Br-Rb-Sm +mp-631310,CoReGe2,-6.68015446,0.5195707125,0.6344343781,0.6344343781,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Ge-Re,4.0,AB2C_cF16_216_a_bc_d:Co-Ge-Re +mp-1215305,ZrCrCo,-8.60396857,-0.1676132717,0.02684325,0.02684325,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Cr-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Cr-Zr, expected Zr3(CrCo)2 to be ZrCrCo" +mp-1215320,ZrCrCo,-8.5960705933,-0.159715295,0.0347412267,0.0347412267,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Co-Cr-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Co-Cr-Zr, expected Zr3(CrCo)2 to be ZrCrCo" +mp-1215506,Zr2CrCo3,-8.2572807517,-0.2450470658,0.0078773875,0.0078773875,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Cr-Zr,6.0,A3BC2_hR18_166_d_a_c:Co-Cr-Zr +mp-1104538,Tm(FeSn)6,-6.2089715038,-0.1048642874,0.0212076127,0.0212076127,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Sn-Tm,13.0,A6B6C_hP13_191_i_cde_a:Fe-Sn-Tm +mp-568501,SrCdBi2,-3.0538439188,-0.4805035504,0.0,-0.0161973794,GGA,I4/mmm,A2BC_tI16_139_ce_d_e:Bi-Cd-Sr,8.0,"Invalid WP multiplicities - A2BC_tI16_139_2c2e_d_e:Bi-Cd-Sr, expected SrCdBi4 to be SrCdBi2" +mp-582108,Sr21(Cd2Bi9)2,-3.3702521337,-0.8516538570000001,0.0,-0.0358419337,GGA,C2/m,A18B4C21_mC172_12_gh8i4j_2ij_3i9j:Bi-Cd-Sr,86.0,"Invalid WP multiplicities - A18B4C21_mC172_12_2g2h16i15j_4i3j_6i35j:Bi-Cd-Sr, expected Sr38(CdBi5)5 to be Sr21(Cd2Bi9)2" +mp-30447,Sr9Cd4Bi9,-3.1670121977,-0.7369484573,0.0,-0.0144400745,GGA,Pbam,A9B4C9_oP44_55_a2g2h_2g_cg3h:Bi-Cd-Sr,44.0,"Invalid WP multiplicities - A9B4C9_oP44_55_a2g2h_2g_cg7h:Bi-Cd-Sr, expected Sr17Cd4Bi9 to be Sr9Cd4Bi9" +mp-1212443,Hf6Be15Pd8,-5.9046629472,-0.4814428909,0.0,-0.0084804295,GGA,Fm-3m,A15B6C8_cF116_225_adf_e_f:Be-Hf-Pd,29.0,A15B6C8_cF116_225_adf_e_f:Be-Hf-Pd +mp-1197990,Pr23Cd4Ru7,-5.4818859918000005,-0.2297327804,0.0,-0.0171076119,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Ru,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Ru +mp-1212455,Hf6Be15Cu8,-5.3789332,-0.2538304236,0.0,-0.0482850147,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Cu-Hf,29.0,A15B8C6_cF116_225_adf_f_e:Be-Cu-Hf +mp-1220392,Nb6GePt,-9.2213921,-0.3086431731,0.0421115065,0.0421115065,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ge-Nb-Pt,8.0,AB6C_cP8_200_a_f_b:Ge-Nb-Pt +mp-1103346,NbGePt,-7.4610051292,-0.5291830575,0.0,-0.0054671669,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Nb-Pt,12.0,ABC_oP12_62_c_c_c:Ge-Nb-Pt +mp-10847,NiSbSe,-4.98697986,-0.5186300608000001,0.0,-0.043599773,GGA,P2_13,ABC_cP12_198_a_a_a:Ni-Sb-Se,12.0,ABC_cP12_198_a_a_a:Ni-Sb-Se +mp-1183781,DyMg2Sc,-3.5885421375,-0.0535881263,0.0094966144,0.0094966144,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Sc,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Sc +mp-1096172,Li2GaSn,-1.5426729175,1.1712054852,1.4917475988,1.4917475988,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Li-Sn,4.0,AB2C_oI8_71_a_e_b:Ga-Li-Sn +mp-17504,Sr3(GeAs2)2,-4.4574652425,-0.7962419436,0.0,-0.0509486336,GGA,P2_1/c,A4B2C3_mP36_14_4e_2e_3e:As-Ge-Sr,36.0,A4B2C3_mP36_14_4e_2e_3e:As-Ge-Sr +mp-1201546,Sr4GeAs4,-4.2924222464,-0.9571472144,0.0002829309,0.0002829309,GGA,P-43n,A4BC4_cP72_218_ei_ac_ei:As-Ge-Sr,72.0,A4BC4_cP72_218_ei_ac_ei:As-Ge-Sr +mp-1215804,Zn(InAu4)3,-3.17056014,-0.120473965,0.0074157531,0.0074157531,GGA,Pmm2,A12B3C_oP16_25_ac2e3f_be_d:Au-In-Zn,16.0,"Invalid WP multiplicities - A12B3C_oP16_25_ac4e5f_be_d:Au-In-Zn, expected ZnIn3Au20 to be Zn(InAu4)3" +mp-1225429,Eu2Al3Ag,-6.1250514567,-0.3611702744,0.0086294817,0.0086294817,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ag-Al-Eu,6.0,AB3C2_hR18_166_a_d_c:Ag-Al-Eu +mp-1225828,Eu2(AlAg)5,-4.7508906408,-0.3005020769,0.0011036922,0.0011036922,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Ag-Al-Eu,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Ag-Al-Eu, expected Eu2Al5Ag7 to be Eu2(AlAg)5" +mp-1225214,EuAl3Ag2,-4.8540582267,-0.3275846772,0.0,-0.0391991207,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Ag-Al-Eu,6.0,A2B3C_hP6_191_c_g_a:Ag-Al-Eu +mp-1225217,EuAl2Ag3,-4.6111525117,-0.2368489333,0.0387779278,0.0387779278,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ag-Al-Eu,6.0,A3B2C_hP6_191_g_c_a:Ag-Al-Eu +mp-1225185,EuAlAg4,-4.4211516333,-0.1990180261,0.0246510189,0.0246510189,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Ag-Al-Eu,6.0,A4BC_hP6_187_ak_c_e:Ag-Al-Eu +mp-1186555,PmDyAl2,-4.5897215125,-0.3776013069,0.0107426805,0.0107426805,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Dy-Pm,4.0,A2BC_cF16_225_c_a_b:Al-Dy-Pm +mp-1097318,ZrZn2Pt,-2.1025355725,2.18204472,2.7727956179,2.7727956179,GGA,Immm,AB2C_oI8_71_a_e_b:Pt-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Pt-Zn-Zr +mp-1095814,Zr2ZnPt,-3.557310605,2.5492589425,3.2343254025,3.2343254025,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Zn-Zr,4.0,ABC2_oI8_71_a_b_e:Pt-Zn-Zr +mp-1100779,ZrZnPt2,-6.3069114725,-0.8194837525,0.0263473616,0.0263473616,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Pt-Zn-Zr +mp-978537,SmHoZn2,-3.2902226775,-0.3351021212,0.005041755,0.005041755,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Sm-Zn +mp-865728,Ti2ReNi,-8.9316723925,-0.4277604179,0.0,-0.0308635025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Ni-Re-Ti +mp-862604,Re3Ni,-10.8878778388,-0.10944828,0.0,-0.10944828,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Re,8.0,AB3_hP8_194_c_h:Ni-Re +mp-1188712,TiGeRu,-7.935834835,-0.6715273644,0.0021614527,0.0021614527,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Ru-Ti,18.0,ABC_oI36_46_bc_ac_3b:Ge-Ru-Ti +mp-865640,TiGeRu2,-8.465059285,-0.6982280471,0.0,-0.1696908315,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ru-Ti,4.0,AB2C_cF16_225_a_c_b:Ge-Ru-Ti +mp-541249,LaSiAs3,-5.524516327,-0.6567802570000001,0.011344865,0.011344865,GGA,Pna2_1,A3BC_oP40_33_6a_2a_2a:As-La-Si,40.0,A3BC_oP40_33_6a_2a_2a:As-La-Si +mp-648984,LaSiAs3,-5.5018810725,-0.6341450025,0.0339801195,0.0339801195,GGA,Pbca,A3BC_oP40_61_3c_c_c:As-La-Si,40.0,"Invalid WP multiplicities - A3BC_oP40_61_14c_c_c:As-La-Si, expected LaSiAs14 to be LaSiAs3" +mp-1022594,Mg6ZnGa,-1.7666112838,-0.0304212922,0.0645133299,0.0645133299,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Zn, expected Mg12ZnGa to be Mg6ZnGa" +mp-1022616,Mg6ZnGa,-1.7650587844,-0.0288687928,0.0660658293,0.0660658293,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Zn, expected Mg12ZnGa to be Mg6ZnGa" +mp-1027930,Mg14ZnGa,-1.6902967525,-0.0220617317,0.0387458804,0.0387458804,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Zn, expected Mg18ZnGa to be Mg14ZnGa" +mp-1027893,Mg14ZnGa,-1.6927964675,-0.0245614467,0.0362461654,0.0362461654,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Zn, expected Mg26ZnGa to be Mg14ZnGa" +mp-1096303,Mg2ZnGa,-0.6222683950000001,1.2498315381,1.3881180273,1.3881180273,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Mg-Zn +mp-863726,Pm2PdRh,-6.2573852675,-0.7460666862,0.0,-0.352087325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Pd-Pm-Rh +mp-1220356,Nb6PtAu,-8.9682880025,-0.2241823075,0.0126696025,0.0126696025,GGA,Pm-3,AB6C_cP8_200_a_f_b:Au-Nb-Pt,8.0,AB6C_cP8_200_a_f_b:Au-Nb-Pt +mp-680530,BiPtPb3,-4.35496618,-0.145053448,0.002416454,0.002416454,GGA,P4_2/mnm,AB3C_tP20_136_g_fi_f:Bi-Pb-Pt,20.0,"Invalid WP multiplicities - AB3C_tP20_136_g_3f3i_f:Bi-Pb-Pt, expected BiPtPb9 to be BiPtPb3" +mp-1227493,Bi3Pt2Pb,-4.8107304033,-0.24800022,0.0053914803,0.0053914803,GGA,Pm,A3BC2_mP6_6_a2b_a_ab:Bi-Pb-Pt,6.0,A3BC2_mP6_6_a2b_a_ab:Bi-Pb-Pt +mp-1227397,BiPt2Pb,-5.1903366375,-0.2664859275,0.0,-0.00262904,GGA,P-6m2,ABC2_hP4_187_a_d_i:Bi-Pb-Pt,4.0,ABC2_hP4_187_a_d_i:Bi-Pb-Pt +mp-1184699,Ho2CuIr,-6.1483572375,-0.62274259,0.0146032508,0.0146032508,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Ir,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Ir +mp-1096329,Ag2PdAu,-1.8357312675,1.6939876867,1.7547914733,1.7547914733,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Au-Pd,4.0,A2BC_oI8_71_e_a_b:Ag-Au-Pd +mp-1093988,AgPd2Au,-2.0769853275,2.0395650783,2.1021376138,2.1021376138,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Au-Pd +mp-1229031,AgPd2Au,-4.1721748025,-0.0556243967,0.0069481388,0.0069481388,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Au-Pd,4.0,ABC2_hR12_160_a_a_2a:Ag-Au-Pd +mp-1183167,AgPdAu2,-3.7080016525,-0.0679511992,0.0018634942,0.0018634942,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Pd,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Pd +mp-862319,Ac2CdSn,-3.7592199925,-0.465517085,0.0,-0.2023769481,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cd-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Cd-Sn +mp-1096079,Li2TlRh,-1.8289169775,1.55728221,1.76658146,1.76658146,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Rh-Tl,4.0,A2BC_oI8_71_e_a_b:Li-Rh-Tl +mp-861725,LiTl2Rh,-3.6211243075,-0.12149505,0.0003881306,0.0003881306,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Tl +mp-568113,Ba(AsRh)2,-6.009791632,-0.8166261340000001,0.0,-0.1452464592,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Rh,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Rh +mp-1184499,GdErIr2,-9.89941837,-0.8192410175,0.0,-0.1649966128,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-Ir,4.0,ABC2_cF16_225_a_b_c:Er-Gd-Ir +mp-1093646,SnRh2Au,-3.3618842425,2.1411331562,2.4131140562,2.4131140562,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Rh-Sn,4.0,AB2C_oI8_71_a_e_b:Au-Rh-Sn +mp-1097655,Sc2CdOs,-3.9344488675,2.2693499825,2.6025286914,2.6025286914,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Os-Sc,4.0,ABC2_oI8_71_a_b_e:Cd-Os-Sc +mp-1186935,Sc2CdOs,-6.5350501325,-0.3312512825,0.0019274264,0.0019274264,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Cd-Os-Sc +mp-973432,LuScRh2,-7.40061131,-1.0051024687,0.02521121,0.02521121,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Sc +mp-1228125,BaCdPb,-2.63679756,-0.4519603033,0.0,-0.0293651172,GGA,C2/m,ABC_mC12_12_i_i_i:Ba-Cd-Pb,6.0,ABC_mC12_12_i_i_i:Ba-Cd-Pb +mp-867333,Ba2CdPb,-2.606096155,-0.4877244775,0.0,-0.0123108419,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-Pb,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-Pb +mp-504815,Re5(NiAs6)2,-6.9528737684,-0.1269616555,0.0010848486,0.0010848486,GGA,Pnnm,A12B2C5_oP38_58_6g_g_a2g:As-Ni-Re,38.0,A12B2C5_oP38_58_6g_g_a2g:As-Ni-Re +mp-867817,LaTlAg2,-3.5153724975,-0.2744319329,0.0,-0.0024722819,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-La-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-La-Tl +mp-1095753,La2TlAg,-1.9584411175,1.8083622225,2.1498581775,2.1490390656,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-La-Tl,4.0,AB2C_oI8_71_a_e_b:Ag-La-Tl +mp-1185050,La2TlAg,-4.108299295,-0.341495955,0.0,-0.0008191119,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-La-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-La-Tl +mp-22475,EuSbAu,-6.8243729017,-0.937744555,0.0,-0.149072113,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Eu-Sb,6.0,ABC_hP6_194_c_a_d:Au-Eu-Sb +mp-1184372,Eu2SbAu,-7.98240569,-1.00318398,0.0,-0.0276643117,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Eu-Sb,4.0,AB2C_cF16_225_a_c_b:Au-Eu-Sb +mp-1100768,TbCdHg2,-1.9181671275,-0.37701298,0.0,-0.0435394187,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Tb,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Tb +mp-1184061,DyTlRh2,-5.970623715,-0.5461122833000001,0.0127264092,0.0127264092,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Tl +mp-1222406,LiZr2Pb,-5.521321,0.1579217992,0.3584702453,0.3584702453,GGA,P-6m2,ABC2_hP4_187_a_b_h:Li-Pb-Zr,4.0,ABC2_hP4_187_a_b_h:Li-Pb-Zr +mp-1206436,SmAgGe,-4.7072448344,-0.6491881700000001,0.0,-0.0607125465,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Sm,9.0,ABC_hP9_189_f_bc_g:Ag-Ge-Sm +mp-1205782,Sm3(AgGe)4,-4.5475045064,-0.5494959756000001,0.0,-0.0123990412,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Sm,,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Sm +mp-972680,Sm(AgGe)2,-4.328538222,-0.4025874517,0.0003762638,0.0003762638,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Ge-Sm,5.0,A2B2C_tI10_139_d_e_a:Ag-Ge-Sm +mp-1205967,Sm2AgGe6,-4.7858458211,-0.3405241096,0.102758707,0.102758707,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Ag-Ge-Sm,9.0,AB6C2_oC18_38_a_4a2b_2b:Ag-Ge-Sm +mp-1187575,Tm2GaRu,-5.8189509475,-0.5054085952,0.0019210956,0.0019210956,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Ga-Ru-Tm +mp-17424,TmGa3Ru,-5.147045222,-0.5801400158000001,0.0,-0.0459698197,GGA,Pm-3m,A3BC_cP15_221_ag_c_d:Ga-Ru-Tm,15.0,A3BC_cP15_221_ag_c_d:Ga-Ru-Tm +mp-1208027,Tm2(Ga3Ru)3,-5.0953928696,-0.5219826790000001,0.00301331,0.00301331,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Tm +mp-11778,ThMnSe3,-6.905422854,-1.492701259,0.0,-0.0284116225,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Mn-Se-Th,10.0,AB3C_oC20_63_a_cf_c:Mn-Se-Th +mp-1194145,Zr6Ga16Pd7,-5.2892506262,-0.5997708741000001,0.0381174718,0.0381174718,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Pd-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Pd-Zr +mp-972183,ZrGaPd2,-6.20613556,-0.7222454919,0.0141613867,0.0141613867,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:Ga-Pd-Zr +mp-1208491,Tb3(SbPd2)4,-5.6275975717,-0.8370537223000001,0.0054428046,0.0054428046,GGA,Fm-3m,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Tb,30.0,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Tb +mp-1217541,TbSbPd,-5.48406892,-0.8363192033,0.24655898,0.1759721871,GGA,C2/m,ABC_mC12_12_i_i_i:Pd-Sb-Tb,6.0,ABC_mC12_12_i_i_i:Pd-Sb-Tb +mp-1237572,TbSbPd,-5.36596527,-0.7182155533,0.36466263,0.2940758371,GGA,C2/m,ABC_mC12_12_i_i_i:Pd-Sb-Tb,6.0,ABC_mC12_12_i_i_i:Pd-Sb-Tb +mp-1206527,TbSbPd,-5.7306279,-1.0828781833,0.0,-0.0705867929,GGA,P6_3mc,ABC_hP6_186_b_b_a:Pd-Sb-Tb,6.0,ABC_hP6_186_b_b_a:Pd-Sb-Tb +mp-1019315,TbSbPd,-5.6742964267,-1.02654671,0.0563314733,-0.0142553195,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Pd-Sb-Tb,6.0,ABC_hP6_194_c_d_a:Pd-Sb-Tb +mp-1207366,Tb2Sb3Pd,-2.0971807517,2.3754222033,3.3868781142,3.3868781142,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Pd-Sb-Tb,6.0,AB3C2_tP6_123_a_bg_g:Pd-Sb-Tb +mp-1095192,TbSb2Pd,-5.4168893738,-0.8988267762000001,0.0,-0.0038372175,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Pd-Sb-Tb,8.0,AB2C_tP8_129_a_bc_c:Pd-Sb-Tb +mp-1208413,Tb5SbPd2,-5.47077881,-0.7632043900000001,0.0311111042,0.0311111042,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pd-Sb-Tb,16.0,A2BC5_tI32_140_h_a_cl:Pd-Sb-Tb +mp-1096952,Eu2SnSe5,-6.6781861319,-1.4277945265,0.0145650113,0.0145650113,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Eu-Se-Sn,16.0,A2B5C_oP16_55_h_agh_c:Eu-Se-Sn +mp-983154,Pm2ZnPt,-4.8963468125,-0.6883564187,0.0,-0.4057145987,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Pt-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Pt-Zn +mp-974887,LiNdSn2,-4.2357336513,-0.5616801490000001,0.0239098672,0.0239098672,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Li-Nd-Sn,8.0,ABC2_oC16_63_c_c_2c:Li-Nd-Sn +mp-1191015,LiNdSn,-4.2247904633,-0.6625764119,0.0,-0.0811520097,GGA,P6_3mc,ABC_hP24_186_bc_ac_bc:Li-Nd-Sn,24.0,ABC_hP24_186_bc_ac_bc:Li-Nd-Sn +mp-12719,LiNdSn,-4.0601617233,-0.4979476719,0.16462874,0.0834767303,GGA,F-43m,ABC_cF12_216_c_a_b:Li-Nd-Sn,3.0,ABC_cF12_216_c_a_b:Li-Nd-Sn +mp-1097441,MgInHg2,-0.4425324025,0.7972987250000001,0.9049583913,0.9049583913,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Mg,4.0,A2BC_oI8_71_e_a_b:Hg-In-Mg +mp-1096191,Sr2TlZn,-0.6163406275000001,1.1340027883,1.4536462031,1.4536462031,GGA,Immm,A2BC_oI8_71_e_a_b:Sr-Tl-Zn,4.0,A2BC_oI8_71_e_a_b:Sr-Tl-Zn +mp-1187091,Sr2TlZn,-2.06234941,-0.3120059942,0.0076374206,0.0076374206,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sr-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Sr-Tl-Zn +mp-1186467,Pm(Mg4Al3)4,-2.6627717269,-0.0661533447,0.0186869559,0.0186869559,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pm,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Pm, expected PmMg49Al48 to be Pm(Mg4Al3)4" +mp-1186464,Pm(Mg4Al3)4,-2.6670235869,-0.0704052047,0.0144350959,0.0144350959,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Pm,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Pm, expected Pm(Mg5Al)12 to be Pm(Mg4Al3)4" +mp-863698,Pm2MgAl,-3.9734590175,-0.2617238862,0.0,-0.0521487484,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Pm,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Pm +mp-864919,MgTiRh2,-6.827813915,-0.7717169633000001,0.0,-0.1328687569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Ti +mp-862894,AcSbAu2,-4.4189934375,-0.7195083756,0.0,-0.260238626,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Sb,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Sb +mp-1227395,Ca(TmTe2)2,-5.0440344329,-1.6825352471,0.0082103854,0.0082103854,GGA,P2/m,AB4C2_mP7_10_c_mn_bd:Ca-Te-Tm,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_b_2m2n_ce:Ca-Te-Tm, expected Ca(TmTe4)2 to be Ca(TmTe2)2" +mp-631342,MnTcPd,-7.7584026733,0.475776009,0.6104058373,0.6104058373,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Pd-Tc,3.0,ABC_cF12_216_c_a_b:Mn-Pd-Tc +mp-1095844,Nb2MoOs,-6.26113855,4.307768355,4.5509632175,4.4881546228,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Os,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Os +mp-1186205,Nb2MoOs,-10.8121017675,-0.2431948625,0.0,-0.0628085947,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Nb-Os,4.0,AB2C_cF16_225_a_c_b:Mo-Nb-Os +mp-1226361,Cr2SbAs,-7.05316509,-0.0296114437,0.0722381919,0.0722381919,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:As-Cr-Sb,8.0,AB2C_oP8_26_a_ab_b:As-Cr-Sb +mp-1226340,Cr2SbAs,-7.0714672525,-0.0479136062,0.0539360294,0.0539360294,GGA,P-6m2,AB2C_hP4_187_a_i_d:As-Cr-Sb,4.0,AB2C_hP4_187_a_i_d:As-Cr-Sb +mp-1226373,Cr3SbAs2,-7.1520028304,-0.0842727537,0.0428582417,0.0428582417,GGA,Pm,A2B3C_mP24_6_2a6b_6a6b_4a:As-Cr-Sb,24.0,A2B3C_mP24_6_2a6b_6a6b_4a:As-Cr-Sb +mp-1096088,Nb2MoRu,-6.009409235,4.0712564475,4.2961551075,4.212470865,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Ru,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Ru +mp-1186206,Nb2MoRu,-10.3055643425,-0.22489866,0.0,-0.0836842425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Nb-Ru,4.0,AB2C_cF16_225_a_c_b:Mo-Nb-Ru +mp-1184116,DyTmCd2,-3.0423525675,-0.3102521217,0.0055485525,0.0055485525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Tm,4.0,A2BC_cF16_225_c_a_b:Cd-Dy-Tm +mp-1226843,Ce2CdSb4,-4.98015554,-0.7937165357,0.0,-0.0192732629,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Cd-Ce-Sb,7.0,AB2C4_tP7_115_c_g_abg:Cd-Ce-Sb +mp-11373,DyTlPd,-4.7089128778,-0.6591422789,0.0,-0.0331438226,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Dy-Pd-Tl +mp-8456,SrAsPt,-5.1511218117,-1.0112067522,0.0,-0.1170709281,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Pt-Sr,6.0,ABC_hP6_194_c_d_a:As-Pt-Sr +mp-14500,Sr(As3Pt2)2,-5.5744871586,-0.6718746892,0.0,-0.03411754,GGA,C2/c,A6B4C_mC44_15_3f_abf_e:As-Pt-Sr,22.0,"Invalid WP multiplicities - A6B4C_mC44_15_3f_cd2f_e:As-Pt-Sr, expected Sr(AsPt)6 to be Sr(As3Pt2)2" +mp-571534,Sr(AsPt)2,-5.4039887075,-0.7739893268,0.0267481015,0.0267481015,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:As-Pt-Sr,20.0,"Invalid WP multiplicities - A2B2C_mP20_14_6e_5e_e:As-Pt-Sr, expected SrAs6Pt5 to be Sr(AsPt)2" +mp-1079325,Sr(AsPt)2,-5.393541587,-0.7635422063,0.037195222,0.037195222,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Pt-Sr,10.0,A2B2C_tP10_129_ac_bc_c:As-Pt-Sr +mp-1096215,Sc2CoPt,-4.59408961,1.8670077213,2.6725991838,2.6725991838,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Pt-Sc +mp-1186939,Sc2CoPt,-7.2611988675,-0.8001015362,0.0054899263,0.0054899263,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Pt-Sc +mp-862948,Li2PmPb,-3.408289025,-0.3380302435,0.0,-0.015354377,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Pm,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Pm +mp-1185398,LiPm2Pb,-4.102457285,-0.3217936396,0.006430285,0.006430285,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pb-Pm,4.0,ABC2_cF16_225_a_b_c:Li-Pb-Pm +mp-1095891,Sr2AgSb,-1.9056912475,0.67944479,1.4754916482,1.4754916482,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Sb-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Sb-Sr +mp-1077980,Sr(Ag2Sb)2,-3.4021065586,-0.3624322805,0.0,-0.0210613467,GGA,R-3m,A4B2C_hR21_166_2c_c_a:Ag-Sb-Sr,7.0,A4B2C_hR21_166_2c_c_a:Ag-Sb-Sr +mp-11217,SrAgSb,-3.3624502400000003,-0.4787666744,0.214596528,0.214596528,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ag-Sb-Sr,6.0,ABC_hP6_194_a_c_d:Ag-Sb-Sr +mp-1215227,ZrTaTe4,-6.3586880333,-0.8622377278000001,0.0408830781,0.0408830781,GGA,P-3m1,AB4C_hP6_164_a_2d_b:Ta-Te-Zr,6.0,"Invalid WP multiplicities - AB4C_hP6_164_a_3d_b:Ta-Te-Zr, expected ZrTaTe6 to be ZrTaTe4" +mp-640470,Pu2InPt2,-9.426264739,-0.7403393330000001,0.0,-0.081586186,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pt-Pu,10.0,AB2C2_tP10_127_a_g_h:In-Pt-Pu +mp-1080796,PuIn7Pt2,-4.65856706,-0.091377952,0.280694614,0.280694614,GGA,I4/mmm,A7B2C_tI20_139_adg_e_b:In-Pt-Pu,10.0,A7B2C_tI20_139_adg_e_b:In-Pt-Pu +mp-1186432,Pm2AlCd,-3.8822005225,-0.3398129637,0.0,-0.0732583077,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Pm,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Pm +mp-1222885,LaErSe2,-6.2097025675,-2.0858153499,0.0,-0.0090576925,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-La-Se,4.0,ABC2_hR12_166_a_b_c:Er-La-Se +mp-1222948,LaEr4Se7,-6.0908311267,-2.1176425693,0.0522382521,0.0522382521,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Er-La-Se,12.0,A4BC7_mC24_8_4a_a_7a:Er-La-Se +mp-1223286,La(ErSe2)2,-6.0874854093,-2.0796153185,0.0988991225,0.0988991225,GGA,I-42d,A2BC4_tI28_122_d_a_e:Er-La-Se,14.0,A2BC4_tI28_122_d_a_e:Er-La-Se +mp-1097478,Ba2CdHg,-0.3377634775,0.9283665238,1.35876809,1.35876809,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Hg,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Hg +mp-1183204,Ba2CdHg,-1.6886157675,-0.4224857662,0.0079157999999999,0.0079157999999999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-Hg,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-Hg +mp-1104861,Ba3CdHg10,-1.0585843279,-0.3645401686,0.0183600646,0.0183600646,GGA,Immm,A3BC10_oI28_71_ag_b_f2n:Ba-Cd-Hg,14.0,A3BC10_oI28_71_ag_b_f2n:Ba-Cd-Hg +mp-1197757,Ba20Cd4Hg99,-0.8924581103,-0.30599133,0.0006746169,0.0006746169,GGA,F-43m,A20B4C99_cF492_216_2efg_e_a5eg4hi:Ba-Cd-Hg,123.0,A20B4C99_cF492_216_2efg_e_a5eg4hi:Ba-Cd-Hg +mp-1095738,BaCdHg2,-0.2460062675,0.61630009,1.0156032194,1.0156032194,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Cd-Hg,4.0,ABC2_oI8_71_a_b_e:Ba-Cd-Hg +mp-973625,Lu2AlTc,-6.0280468175,-0.2410178637,0.0673829534,0.0673829534,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Al-Lu-Tc +mp-1212920,Er3(Al3Os)4,-6.0360896553,-0.5855877547,0.0,-0.0570772386,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Er-Os,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Er-Os +mp-1227417,Ca2MgAg3,-2.6359398817,-0.284415245,0.0239534383,0.0239534383,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Ag-Ca-Mg,12.0,A3B2C_hP12_194_h_f_a:Ag-Ca-Mg +mp-1093662,CaMgAg2,-1.2717026825,1.0460453017,1.33999795,1.33999795,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Mg,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Mg +mp-1078641,SmZnNi,-4.3351026622,-0.4156138539,0.5349344985,0.5349344985,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Sm-Zn,9.0,ABC_hP9_189_ad_f_g:Ni-Sm-Zn +mp-867125,Al2RuPt,-6.60995089,-0.90077901,0.0,-0.0428313831,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Pt-Ru +mp-1078527,ThAlPd,-6.2551615444,-0.8087229144,0.0,-0.11521378,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pd-Th,9.0,ABC_hP9_189_f_bc_g:Al-Pd-Th +mp-861508,Pr2ZnIr,-5.3597642975,-0.4447669725,0.0605538028,0.0605538028,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pr-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Pr-Zn +mp-867255,LiZn2Au,-2.2961238775,-0.3705508558,0.0,-0.0701374056,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Li-Zn +mp-861932,LiZnAu2,-2.8588991475,-0.4297915283,0.0,-0.050806985,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Li-Zn +mp-865871,Li2ZnAu,-2.48275489,-0.3948870542,0.0,-0.00585991,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Li-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Li-Zn +mp-863654,Pm2CdSi,-4.33654492,-0.3742218112,0.0,-0.1162076204,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Cd-Pm-Si +mp-19838,Pu(CrSi)2,-8.807962804,0.076951062,0.4533394187,0.4533394187,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Pu-Si +mp-10626,Yb(SiRh)2,-6.434449292,-1.010677276,0.0,-0.3110917512,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Yb,,A2B2C_tI10_139_d_e_a:Rh-Si-Yb +mp-1205012,Ca10Si3Pt7,-4.8510852412,-0.9095909347,0.0,-0.0377586525,GGA,P6_3/mcm,A10B7C3_hP40_193_cdk_ak_g:Ca-Pt-Si,40.0,A10B7C3_hP40_193_cdk_ak_g:Ca-Pt-Si +mp-1069604,CaSi3Pt,-5.473759782,-0.6032223240000001,0.0,-0.010270546,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ca-Pt-Si,5.0,ABC3_tI10_107_a_a_ab:Ca-Pt-Si +mp-1214093,Ca2Si5Pt3,-5.7239535335,-0.7888345465000001,0.0,-0.0757599904,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ca-Pt-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ca-Pt-Si +mp-8982,CaSiPt,-5.4371796358,-0.9364958925,0.0157336517,-0.0911071386,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ca-Pt-Si,12.0,ABC_mP12_14_e_e_e:Ca-Pt-Si +mp-8983,CaSiPt,-5.4155260233,-0.91484228,0.0373872642,-0.0694535261,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pt-Si,12.0,ABC_oP12_62_c_c_c:Ca-Pt-Si +mp-4478,CaSiPt,-5.4529132875,-0.9522295442,0.0,-0.1068407902,GGA,P2_13,ABC_cP12_198_a_a_a:Ca-Pt-Si,12.0,ABC_cP12_198_a_a_a:Ca-Pt-Si +mp-1102609,BaSiPd,-4.8798590208,-0.7051340942000001,0.0,-0.1907797347,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-Pd-Si,12.0,ABC_cP12_198_a_a_a:Ba-Pd-Si +mp-1070137,BaSi3Pd,-5.111159912,-0.436197744,0.0,-0.0131172875,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ba-Pd-Si,5.0,ABC3_tI10_107_a_a_ab:Ba-Pd-Si +mp-1220283,Nd2PdRu3,-7.39805366,-0.3081562775,0.0420793792,0.0420793792,GGA,R-3m,A2BC3_hR18_166_c_a_d:Nd-Pd-Ru,6.0,A2BC3_hR18_166_c_a_d:Nd-Pd-Ru +mp-1210332,Na3TmBr6,-3.8391502435,-2.0629921151,0.0,-0.0132223625,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Br-Na-Tm,20.0,A6B3C_mP20_14_3e_ae_b:Br-Na-Tm +mp-1224309,HfGa2Ag,-5.00407072,-0.2925864504,0.0520685377,0.0520685377,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ag-Ga-Hf,4.0,AB2C_tP4_123_a_e_c:Ag-Ga-Hf +mp-1186583,PmEuPt2,-7.78504354,-0.9975908494,0.0,-0.2753131456,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Pm-Pt,4.0,ABC2_cF16_225_a_b_c:Eu-Pm-Pt +mp-1096469,Hf2RePt,-6.3081394175,3.2993702238,4.0627029226,4.0627029226,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Pt-Re,4.0,A2BC_oI8_71_e_a_b:Hf-Pt-Re +mp-675740,Ca(CeTe2)2,-5.4652355579,-1.6873781631,0.0342173503,0.0342173503,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Ce-Te,14.0,AB2C4_tI28_122_a_d_e:Ca-Ce-Te +mp-1096139,LiCd2Ni,-1.2114749125,1.1722348542,1.3171229181,1.3171229181,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Li-Ni,4.0,A2BC_oI8_71_e_a_b:Cd-Li-Ni +mp-1185212,LiCd2Ni,-2.52284464,-0.1391348733,0.0057531906,0.0057531906,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Ni,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Ni +mp-672310,Th(GeRu)2,-7.737902466,-0.6961586580000001,0.0,-0.2515113705,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Th +mp-1226836,Ce3SbAs2,-6.5183635533,-1.3106126342,0.026998395,0.026998395,GGA,Immm,A2B3C_oI12_71_e_cf_a:As-Ce-Sb,6.0,A2B3C_oI12_71_e_cf_a:As-Ce-Sb +mp-1226992,Ce5Sb4As,-6.268732227,-1.184675313,0.024673707,0.024673707,GGA,I4/mmm,AB5C4_tI20_139_a_b2e_2e:As-Ce-Sb,10.0,"Invalid WP multiplicities - AB5C4_tI20_139_a_b3e_3e:As-Ce-Sb, expected Ce7Sb6As to be Ce5Sb4As" +mp-973561,LiCe2Ru,-5.85573057,-0.0933546408,0.1348186624,0.1348186624,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Ce-Li-Ru +mp-1096065,Hf2MnRe,-6.4414479825,3.9387821518,4.2266916723,4.2266916723,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mn-Re,4.0,A2BC_oI8_71_e_a_b:Hf-Mn-Re +mp-1201794,Pr6TlFe13,-7.0866449257,-0.0287272554,0.014051384,0.014051384,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Tl,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Tl +mp-1080768,LuSnPd,-5.4815727833,-0.911438055,0.0,-0.110145703,GGA,P-62m,ABC_hP9_189_f_ad_g:Lu-Pd-Sn,9.0,ABC_hP9_189_f_ad_g:Lu-Pd-Sn +mp-5181,LuSnPd2,-5.625230655,-0.9026591563,0.0,-0.0455295606,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Lu-Pd-Sn +mp-1225834,DyScGe,-5.7005841489,-0.5131562156,0.2190563648,0.2190563648,GGA,Amm2,ABC_oC36_38_abde_abcd_ef:Dy-Ge-Sc,,ABC_oC36_38_abde_abcd_ef:Dy-Ge-Sc +mp-1184019,CsYb3,-1.1405152975,0.2380415055,0.2380415055,0.2380415055,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-Yb,,AB3_tI8_139_a_bd:Cs-Yb +mp-1183999,CsYb3,-1.1357646725,0.2427921305,0.2427921305,0.2427921305,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Yb,,AB3_cP4_221_a_c:Cs-Yb +mp-1184012,CsYb3,-1.12745895,0.251097853,0.251097853,0.251097853,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Yb,,AB3_cF16_225_a_bc:Cs-Yb +mp-979983,Cs3Yb,-0.8628346938,0.1936191553,0.1936191553,0.1936191553,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-Yb,,A3B_hP8_194_h_c:Cs-Yb +mp-1183943,Cs3Yb,-0.8654602575,0.1909935916,0.1909935916,0.1909935916,GGA,Pm-3m,A3B_cP4_221_c_a:Cs-Yb,,A3B_cP4_221_c_a:Cs-Yb +mp-568005,CsYbBr3,-3.815104572,-2.3962854436,0.0,-0.050413614,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Yb,,A3BC_cP5_221_c_a_b:Br-Cs-Yb +mp-1077750,YbCu4Pd,-4.2123024783,-0.3595830167,0.0,-0.0534145528,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Pd-Yb,,A4BC_cF24_216_e_a_c:Cu-Pd-Yb +mp-1187677,YbCuPd2,-4.5668895925,-0.56724495,0.0256086157,0.0256086157,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pd-Yb,,AB2C_cF16_225_a_c_b:Cu-Pd-Yb +mp-1187894,Yb2CuPd,-3.651202665,-0.561626405,0.0133753212,0.0133753212,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pd-Yb,,ABC2_cF16_225_a_b_c:Cu-Pd-Yb +mp-11753,Lu7(TePd)2,-5.2220569473,-0.8317815794000001,0.0205594266,0.0205594266,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Lu-Pd-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Lu-Pd-Te +mp-961720,ZrAsRh,-7.2156746167,-0.358632315,0.522254106,0.522254106,GGA,F-43m,ABC_cF12_216_a_b_c:As-Rh-Zr,3.0,ABC_cF12_216_a_b_c:As-Rh-Zr +mp-1206689,Cs2NiAs2,-3.782735844,-0.4049001972,0.0,-0.0869200223,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-Cs-Ni,10.0,A2B2C_oC20_63_g_2c_a:As-Cs-Ni +mp-570782,MgCl2,-3.9094719467,-2.14368749,0.1218297733,-1.7791080174,GGA,P-1,A2B_aP6_2_bci_i:Cl-Mg,6.0,A2B_aP6_2_bci_i:Cl-Mg +mp-569626,MgCl2,-3.8321708967,-2.06638644,0.1991308233,-1.7018069674,GGA,Ama2,A2B_oC12_40_ab_b:Cl-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_40_a2b_b:Cl-Mg, expected MgCl3 to be MgCl2" +mp-571387,MgCl2,-3.8894661517,-2.123681695,0.1418355683,-1.7591022224,GGA,Pmma,A2B_oP6_51_ef_a:Cl-Mg,6.0,"Invalid WP multiplicities - A2B_oP6_51_2e2f_a:Cl-Mg, expected MgCl4 to be MgCl2" +mp-570922,MgCl2,-3.9475505433,-2.1817660867,0.0837511767,-1.817186614,GGA,P-4m2,A2B_tP3_115_g_a:Cl-Mg,3.0,A2B_tP3_115_g_a:Cl-Mg +mp-570259,MgCl2,-4.0306625933,-2.2648781367,0.0006391267,-1.900298664,GGA,P-3m1,A2B_hP3_164_d_a:Cl-Mg,3.0,A2B_hP3_164_d_a:Cl-Mg +mp-23210,MgCl2,-4.03130172,-2.2655172633,0.0,-1.9009377907,GGA,R-3m,A2B_hR9_166_c_a:Cl-Mg,3.0,A2B_hR9_166_c_a:Cl-Mg +mp-1185584,Mg149Cl,-1.6346143583,-0.0326792642,0.0,-0.0100240916,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Cl-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l4m16n8o:Cl-Mg, expected Mg303Cl to be Mg149Cl" +mp-1210617,MgTlCl3,-3.772317661,-1.8706110257,0.018300189,0.018300189,GGA,Pnma,A3BC_oP20_62_cd_a_c:Cl-Mg-Tl,20.0,A3BC_oP20_62_cd_a_c:Cl-Mg-Tl +mp-1207313,MgCl6,-2.2734373986,-0.4603659686,0.5105700014,0.5105700014,GGA,Cmmm,A6B_oC14_65_kp_a:Cl-Mg,7.0,A6B_oC14_65_kp_a:Cl-Mg +mp-1197835,HfMnGa2,-6.6747937917,-0.3809446999,0.0,-0.0119745186,GGA,Pnma,A2BC_oP48_62_4cd_cd_ad:Ga-Hf-Mn,48.0,A2BC_oP48_62_4cd_cd_ad:Ga-Hf-Mn +mp-637052,Hf3(MnGa3)2,-6.435619635,-0.4025129251,0.0,-0.0001331477,GGA,Pmmn,A6B3C2_oP22_59_abef_ae_c:Ga-Hf-Mn,22.0,"Invalid WP multiplicities - A6B3C2_oP22_59_2a2b3e3f_2a2e_c:Ga-Hf-Mn, expected Hf3MnGa8 to be Hf3(MnGa3)2" +mp-1097676,Li2InGa,-1.26078975,1.1386166215,1.423690745,1.423690745,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-In-Li,4.0,ABC2_oI8_71_a_b_e:Ga-In-Li +mp-1077938,Pr2CrSe4,-6.3426645714,-1.6000210156,0.1447309042,0.1447309042,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Pr-Se,7.0,AB2C4_mC14_12_a_i_2i:Cr-Pr-Se +mp-861512,PrCrSe3,-6.479408272,-1.4950707404,0.0,-0.0054025286,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Pr-Se,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_4c:Cr-Pr-Se, expected PrCrSe4 to be PrCrSe3" +mp-1096186,Ca2TlHg,-0.675979725,0.9934010929,1.4955371375,1.4921591375,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Hg-Tl,4.0,A2BC_oI8_71_e_a_b:Ca-Hg-Tl +mp-1183453,Ca2TlHg,-2.1715168625,-0.5021360446,0.0,-0.003378,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-Tl +mp-1096239,CaTlHg2,-0.45749889,0.7864020492,1.1336677442,1.1336677442,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Tl,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Tl +mp-1097646,BeAlPt2,-3.26709496,1.6397188738,2.3973566752,2.3973566752,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Be-Pt,4.0,ABC2_oI8_71_a_b_e:Al-Be-Pt +mp-1215460,Zn2AgAu,-2.288070685,-0.1315893792,0.0243961875,0.0089504946,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Au-Zn,4.0,ABC2_tP4_123_a_b_h:Ag-Au-Zn +mp-31171,Zn2AgAu,-2.3124668725,-0.1559855667,0.0,-0.0154456929,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Zn +mp-1095900,ZnAgAu2,-1.6718912175,0.9881246858,1.1228039513,1.1228039513,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Zn +mp-1212357,Ho2(Al3Ir)3,-5.8193276046,-0.8628774082,0.0,-0.1794853889,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Ho-Ir,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Ho-Ir +mp-867252,LiZn2Ni,-2.808027195,-0.2558905033,0.0,-0.0190650025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ni-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Ni-Zn +mp-1185421,LiZnNi2,-3.8240414125,-0.1418064533,0.0,-0.0138612017,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Li-Ni-Zn +mp-1185728,Mg16PaAl12,-2.7871171079,-0.0262186452,0.0336554306,0.0336554306,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pa,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Pa, expected Mg49PaAl39 to be Mg16PaAl12" +mp-1185725,Mg16PaAl12,-2.8011195669,-0.0402211041,0.0196529716,0.0196529716,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Pa,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Pa, expected Mg60PaAl12 to be Mg16PaAl12" +mp-1226673,CeZnNi4,-5.38869724,-0.3364673258,0.0089423769,0.0089423769,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Ce-Ni-Zn,6.0,AB4C_hP6_187_a_ck_e:Ce-Ni-Zn +mp-574021,Ce2ZnNi2,-5.294121276,-0.35688222,0.0119781857,0.0119781857,GGA,Immm,A2B2C_oI10_71_e_g_c:Ce-Ni-Zn,5.0,A2B2C_oI10_71_e_g_c:Ce-Ni-Zn +mp-1193027,CeZnNi2,-5.0292025221,-0.3409259908,0.0343739736,0.0343739736,GGA,P6_3/mmc,AB2C_hP24_194_cf_k_abd:Ce-Ni-Zn,24.0,AB2C_hP24_194_cf_k_abd:Ce-Ni-Zn +mp-1226538,CeZn2Ni3,-4.6266146733,-0.3277836042,0.0074065505,0.0074065505,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ce-Ni-Zn,6.0,AB3C2_hP6_191_a_g_c:Ce-Ni-Zn +mp-17587,Ce2Zn2Ni5,-5.1702740256,-0.3606797,0.0046568439,0.0046568439,GGA,R-3m,A2B5C2_hR54_166_2c_2ch_ad:Ce-Ni-Zn,18.0,"Invalid WP multiplicities - A2B5C2_hR54_166_2c_3c3h_ad:Ce-Ni-Zn, expected CeZnNi6 to be Ce2Zn2Ni5" +mp-1079342,CeZnNi,-4.7295133744,-0.4051902261,0.0,-0.0617506645,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Ni-Zn,9.0,ABC_hP9_189_f_ad_g:Ce-Ni-Zn +mp-1226565,CeZn2Ni,-3.66124924,-0.1030709763,0.2537494781,0.2537494781,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ce-Ni-Zn,4.0,ABC2_tP4_123_a_c_e:Ce-Ni-Zn +mp-1226482,CeZn4Ni,-3.1004840617,-0.3084506825,0.0,-0.0114208329,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Ni-Zn,6.0,ABC4_hP6_187_a_c_ek:Ce-Ni-Zn +mp-1017037,Mg6CdGa,-1.7415402525,-0.0474569922,0.0519941261,0.0519941261,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Ga-Mg, expected Mg12CdGa to be Mg6CdGa" +mp-1017055,Mg6CdGa,-1.7383099069,-0.0442266466,0.0552244718,0.0552244718,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Ga-Mg, expected Mg12CdGa to be Mg6CdGa" +mp-1096162,Mg2CdGa,-0.642730645,1.1451558256,1.2687802725,1.2687802725,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-Mg +mp-1026439,Mg14CdGa,-1.6797562181,-0.032574563,0.0309577879,0.0309577879,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Ga-Mg, expected Mg18CdGa to be Mg14CdGa" +mp-1026447,Mg14CdGa,-1.6836572219,-0.0364755667,0.0270567841,0.0270567841,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Ga-Mg, expected Mg26CdGa to be Mg14CdGa" +mp-1093774,ScSi2Tc,-4.387202125,2.4987339025,3.1436435481,3.1436435481,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Sc-Si-Tc +mp-1096609,Sc2TlCr,-3.61717224,2.5529849667,2.6918929581,2.6918929581,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Cr-Sc-Tl +mp-1096659,ZrSc2Tl,-3.294104185,2.5997163117,2.7784370467,2.7784370467,GGA,Immm,A2BC_oI8_71_e_a_b:Sc-Tl-Zr,4.0,A2BC_oI8_71_e_a_b:Sc-Tl-Zr +mp-1096719,ZrScTl2,-2.60823234,2.2931316671,2.4023984064,2.4023984064,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Tl-Zr,4.0,AB2C_oI8_71_a_e_b:Sc-Tl-Zr +mp-977585,Zr3Tl,-7.12087449,-0.1194382308,0.0,-0.1194382308,GGA,Pm-3m,AB3_cP4_221_a_c:Tl-Zr,4.0,AB3_cP4_221_a_c:Tl-Zr +mp-1223765,HoCu4Ni,-4.6939539333,-0.2340585617,0.0,-0.0066209368,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Cu-Ho-Ni,6.0,A4BC_hP6_187_ak_c_e:Cu-Ho-Ni +mp-976939,Ho2OsPt,-7.3031683875,-0.687338765,0.1187291702,0.1187291702,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Os-Pt,4.0,A2BC_cF16_225_c_a_b:Ho-Os-Pt +mp-631633,LaCoTc2,-7.610017205,0.5813834925,0.6568297271,0.6568297271,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-La-Tc,4.0,ABC2_cF16_225_a_b_c:Co-La-Tc +mp-1206100,Sr2(AsIr)3,-3.7417534962,1.7422020865,2.3716853921,2.3716853921,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:As-Ir-Sr,8.0,A3B3C2_tP8_123_ag_bg_g:As-Ir-Sr +mp-1096297,NbFeRu2,-5.75004994,3.5299828925,3.6522194942,3.6522194942,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Nb-Ru,4.0,ABC2_oI8_71_a_b_e:Fe-Nb-Ru +mp-1186223,NbFeRu2,-9.369654535,-0.0896217025,0.0326148992,0.0326148992,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Fe-Nb-Ru +mp-13327,NdLuSe3,-6.109102846,-2.1537363689,0.0,-0.0053661421,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Lu-Nd-Se,10.0,ABC3_oC20_63_a_c_cf:Lu-Nd-Se +mp-1189448,Zr5GaPb3,-6.7292521672,-0.4065254581,0.0,-0.1635330503,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ga-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ga-Pb-Zr +mp-1097289,Hf2MgRe,-4.8764348250000005,3.6133614987,3.8074494434,3.8074494434,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mg-Re,4.0,A2BC_oI8_71_e_a_b:Hf-Mg-Re +mp-977454,HgPd2Au,-3.6454085275,-0.1610770312,0.0,-0.0325266308,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Pd +mp-1186038,Na3Dy,-1.76694912,0.3766415601,0.3766415601,0.3766415601,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Na,8.0,AB3_hP8_194_c_h:Dy-Na +mp-865114,NaDyTl2,-2.8964362450000003,-0.2327866383,0.0,-0.0080809627,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Na-Tl +mp-976829,NaDy3,-3.4792586325,0.3064628209,0.3064628209,0.3064628209,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Na,8.0,A3B_hP8_194_h_c:Dy-Na +mp-1186131,NaDy3,-3.4749408325,0.3107806209,0.3107806209,0.3107806209,GGA,Fm-3m,A3B_cF16_225_ac_b:Dy-Na,4.0,A3B_cF16_225_ac_b:Dy-Na +mp-21453,PrSnPt,-5.9759484642,-1.0220781542,0.0078515947,-0.1877234825,GGA,Pnma,ABC_oP12_62_c_c_c:Pr-Pt-Sn,12.0,ABC_oP12_62_c_c_c:Pr-Pt-Sn +mp-20390,PrSnPt,-5.9838000589,-1.0299297489,0.0,-0.1955750772,GGA,P-62m,ABC_hP9_189_f_ad_g:Pr-Pt-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Pr-Pt-Sn, expected Pr3Sn3Pt5 to be PrSnPt" +mp-677072,Ca(InTe2)2,-3.7343368171,-0.8654524010000001,0.0639092507,0.0639092507,GGA,I422,AB2C4_tI14_97_a_c_j:Ca-In-Te,7.0,AB2C4_tI14_97_a_c_j:Ca-In-Te +mp-864884,DyCdHg2,-1.90123234,-0.3669730075,0.0,-0.0429517162,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Dy-Hg,4.0,ABC2_cF16_225_a_b_c:Cd-Dy-Hg +mp-972461,Sm3Zr,-5.545676245,0.1301885138,0.1301885138,0.1301885138,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Zr,4.0,A3B_tI8_139_ad_b:Sm-Zr +mp-1187029,SmZr,-6.45841744,0.1747259425,0.1747259425,0.1747259425,GGA,P-6m2,AB_hP2_187_a_d:Sm-Zr,2.0,AB_hP2_187_a_d:Sm-Zr +mp-1198078,Sm2ZrSe5,-6.4039718619,-1.9709180758,0.0027260103,0.0027260103,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Se-Sm-Zr,32.0,A5B2C_oP32_62_3cd_d_c:Se-Sm-Zr +mp-1192444,Tb11In9Pd4,-4.6863597217,-0.6670802254,0.0,-0.0032289825,GGA,Cmmm,A9B4C11_oC48_65_c2q_q_a2gip:In-Pd-Tb,24.0,A9B4C11_oC48_65_c2q_q_a2gip:In-Pd-Tb +mp-21308,TbInPd,-5.0040070611,-0.8153631811000001,0.0,-0.0399553511,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Tb,9.0,ABC_hP9_189_f_bc_g:In-Pd-Tb +mp-864808,TbInPd2,-5.24924941,-0.8127960475,0.0,-0.0268040932,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Tb,4.0,AB2C_cF16_225_a_c_b:In-Pd-Tb +mp-21052,Tb2InPd2,-5.345359805,-0.8693238950000001,0.0,-0.0136056083,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Tb,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Tb +mp-1208470,TbIn2Pd,-4.4874165912,-0.6580127487,0.0,-0.0142561771,GGA,I4mm,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Tb,40.0,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Tb +mp-1192980,Tb5(In2Pd)2,-4.7353330914,-0.6863940877,0.0,-0.0061811565,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Tb,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Tb +mp-1103928,Yb2Sn2Au3,-3.7016054829,-0.7130331586,0.0146980857,0.0146980857,GGA,R-3m,A3B2C2_hR42_166_3c_2c_abc:Au-Sn-Yb,,A3B2C2_hR42_166_3c_2c_abc:Au-Sn-Yb +mp-865995,YbSnAu2,-3.7125403425,-0.6883043087,0.0,-0.033083211,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sn-Yb,,A2BC_cF16_225_c_a_b:Au-Sn-Yb +mp-570947,YbSnAu,-3.7213212033,-0.7803004917,0.0,-0.0701992173,GGA,Imm2,ABC_oI36_44_3c_3c_ab2c:Au-Sn-Yb,,"Invalid WP multiplicities - ABC_oI36_44_5c_4c_ab4c:Au-Sn-Yb, expected Yb5Sn4Au5 to be YbSnAu" +mp-1095826,MnCdPd2,-3.4998002825,1.6113668855,1.9173819617,1.9173819617,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Mn-Pd +mp-972370,Yb2InHg,-2.0958712275,-0.5622260637000001,0.0058816775,0.0058816775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Yb,,ABC2_cF16_225_a_b_c:Hg-In-Yb +mp-865790,YbInHg2,-1.67773691,-0.453073725,0.0,-0.0359424492,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Yb,,A2BC_cF16_225_c_a_b:Hg-In-Yb +mp-1096733,Li2InBi,-1.6765489675,0.9259556808,1.2965093675,1.2965093675,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-In-Li,4.0,ABC2_oI8_71_a_b_e:Bi-In-Li +mp-1184972,Li2InBi,-2.9707622225,-0.3682575742,0.0022961125,0.0022961125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-In-Li,4.0,ABC2_cF16_225_a_b_c:Bi-In-Li +mp-1095795,BeZnIr2,-2.816011345,2.8529948637,3.1038116892,3.1038116892,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Ir-Zn,4.0,AB2C_oI8_71_a_e_b:Be-Ir-Zn +mp-1079080,CsCd4As3,-2.5728409113,-0.2523013329,0.0,-0.070075421,GGA,P4/mmm,A3B4C_tP8_123_ah_i_b:As-Cd-Cs,8.0,A3B4C_tP8_123_ah_i_b:As-Cd-Cs +mp-867853,SmCdAg2,-3.1152631725,-0.2886161971,0.0,-0.0144193182,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Sm +mp-1103961,Yb2GeSe4,-4.5818566664,-1.4838723342,0.0911342873,0.0911342873,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Ge-Se-Yb,,AB4C2_mP14_11_e_2ef_2e:Ge-Se-Yb +mp-1103196,TaFeGe,-8.6270138842,-0.3100716525,0.0,-0.0587834428,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Ge-Ta,12.0,ABC_oP12_62_c_c_c:Fe-Ge-Ta +mp-1095877,TaFe2Ge,-5.2664327775,3.0887791988,3.3261719423,3.3261719423,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Ge-Ta,4.0,A2BC_oI8_71_e_a_b:Fe-Ge-Ta +mp-1187225,TaFe2Ge,-8.5752763925,-0.2200644162,0.0173283273,0.0173283273,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ge-Ta,4.0,A2BC_cF16_225_c_a_b:Fe-Ge-Ta +mp-1187601,Tm2TlZn,-3.452371485,-0.3088570842,0.0160101797,0.0160101797,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tl-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Tl-Tm-Zn +mp-972514,SmTa3,-9.59245118,0.4805285763,0.4805285763,0.4805285763,GGA,Fm-3m,AB3_cF16_225_a_bc:Sm-Ta,4.0,AB3_cF16_225_a_bc:Sm-Ta +mp-1209186,Sm6Ta4Al43,-4.7779846545,-0.3100150692,0.0,-0.0133410245,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-Ta +mp-567401,Tb4Zn5Ge6,-3.9847114187,-0.47975478,0.0673640678,0.0673640678,GGA,Cmc2_1,A6B4C5_oC60_36_6a_4a_5a:Ge-Tb-Zn,30.0,"Invalid WP multiplicities - A6B4C5_oC60_36_10a_7a_8a:Ge-Tb-Zn, expected Tb7(Zn4Ge5)2 to be Tb4Zn5Ge6" +mp-1208296,TbZnGe,-4.1858779825,-0.6801654608000001,0.0,-0.0601465434,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Tb-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Tb-Zn +mp-1193693,Er6Al7Cu16,-4.4878606634,-0.3770796155,0.0,-0.0428995502,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Er,29.0,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Er +mp-1078592,ErAlCu,-4.6006797444,-0.4631793078,0.0,-0.0612336396,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Er,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Er +mp-1225076,Er2AlCu,-4.5709826625000005,-0.3259276325,0.0260130064,0.0260130064,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Cu-Er,4.0,ABC2_tP4_123_a_b_h:Al-Cu-Er +mp-1225584,ErAlCu4,-4.3697819467,-0.2514283933,0.0434267225,0.0434267225,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Er,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Er +mp-1104269,Er(Al2Cu)4,-4.2175948269,-0.29996774,0.0,-0.0160958015,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Er,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Er +mp-1225071,Er(AlCu)6,-4.3191132454,-0.3470814138,0.0,-0.0605599629,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Er,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Er +mp-1225048,Er2Al3Cu,-4.5397235783,-0.461161615,0.0238922772,0.0238922772,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Cu-Er,6.0,A3BC2_hR18_166_d_a_c:Al-Cu-Er +mp-1080037,Th(SiIr)2,-8.293690785,-1.105418251,0.0,-0.2238181605,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-Si-Th,10.0,A2B2C_tP10_129_ac_bc_c:Ir-Si-Th +mp-1068246,Th(SiIr)2,-8.135970124,-0.94769759,0.157720661,-0.0660974995,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ir-Si-Th,5.0,A2B2C_tI10_139_e_d_a:Ir-Si-Th +mp-1206947,Th2(SiIr)3,-6.4345859563,0.767785685,1.843924525,1.843924525,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Th,8.0,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Th +mp-1068869,ThSi3Ir,-7.341947224,-0.83629792,0.0,-0.1118055375,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ir-Si-Th,5.0,AB3C_tI10_107_a_ab_a:Ir-Si-Th +mp-1217333,ThSiIr,-8.0922749667,-0.8664048133000001,0.1609350083,0.1309347083,GGA,Imma,ABC_oI12_74_e_e_e:Ir-Si-Th,,ABC_oI12_74_e_e_e:Ir-Si-Th +mp-1206779,ThSiIr,-8.253209975,-1.0273398217,0.0,-0.0300002999999999,GGA,I4_1md,ABC_tI12_109_a_a_a:Ir-Si-Th,6.0,ABC_tI12_109_a_a_a:Ir-Si-Th +mp-1217279,Th2Si3Ir,-7.5452127433,-0.8881952817000001,0.0,-0.0561923964,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Ir-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Ir-Si-Th +mp-1195957,Er5(Si5Ir2)2,-6.7756828674000005,-0.8574980742,0.0,-0.0371106032,GGA,P4/mbm,A5B4C10_tP38_127_a2h_i_gij:Er-Ir-Si,38.0,A5B4C10_tP38_127_a2h_i_gij:Er-Ir-Si +mp-3907,Er(SiIr)2,-7.704381936,-1.08533729,0.0,-0.1260580004,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Ir-Si +mp-510706,Er4Si9Ir13,-7.9933906681,-0.9934529046,0.0,-0.094621756,GGA,Pmmn,A4B13C9_oP52_59_abe_2ab5e_2ab3e:Er-Ir-Si,52.0,A4B13C9_oP52_59_abe_2ab5e_2ab3e:Er-Ir-Si +mp-1201402,Er3Si13Ir4,-6.5341471445,-0.5548457675,0.078474386,0.078474386,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Er-Ir-Si,40.0,A3B4C13_cP40_223_c_e_ak:Er-Ir-Si +mp-20733,ErSiIr,-7.3700078758,-1.0928508692,0.0,-0.0993848571,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ir-Si,12.0,ABC_oP12_62_c_c_c:Er-Ir-Si +mp-1093986,Zr2TlTc,-4.5176343575,2.9370364804,3.1148343099,3.1148343099,GGA,Immm,ABC2_oI8_71_a_b_e:Tc-Tl-Zr,4.0,ABC2_oI8_71_a_b_e:Tc-Tl-Zr +mp-863740,Pm2IrRu,-7.2865732675,-0.3830929262,0.0,-0.3582976053,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Ir-Pm-Ru +mp-631546,TlCoBi,-3.61013665,0.8270133739000001,0.8597697153,0.8597697153,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Co-Tl,3.0,ABC_cF12_216_c_a_b:Bi-Co-Tl +mp-863669,Pm2CuPt,-5.5585499525,-0.6406937937,0.0,-0.5610439187,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Cu-Pm-Pt +mp-1187611,TmLuAg2,-4.01328049,-0.3478060025,0.0,-0.0441451137,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Lu-Tm +mp-1187537,YbTmPd2,-4.99730029,-0.9034984592,0.0014142475,0.0014142475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Tm-Yb,,A2BC_cF16_225_c_a_b:Pd-Tm-Yb +mp-1093590,Ta2OsPd,-6.0765471925,3.9541539325,4.3333866719,4.3333866719,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Pd-Ta,4.0,ABC2_oI8_71_a_b_e:Os-Pd-Ta +mp-1097245,Hf2PdRh,-5.5340855300000005,2.5805564050000003,3.3541063038,3.3541063038,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Pd-Rh,4.0,A2BC_oI8_71_e_a_b:Hf-Pd-Rh +mp-1189354,Nd(Sb3Ru)4,-5.8375814529,-0.4603007193,0.0,-0.0273633356,GGA,Im-3,AB4C12_cI34_204_a_c_g:Nd-Ru-Sb,17.0,AB4C12_cI34_204_a_c_g:Nd-Ru-Sb +mp-1187153,SrAcCd2,-2.2418893,-0.3277773048,0.0,-0.0682359269,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Cd-Sr,4.0,AB2C_cF16_225_a_c_b:Ac-Cd-Sr +mp-867814,LaTlAu2,-4.07615812,-0.6145545571000001,0.0,-0.0101575696,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Tl,4.0,A2BC_cF16_225_c_a_b:Au-La-Tl +mp-1097348,Zr2CoRu,-5.349875105,3.0196552938,3.4942871975,3.4942871975,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ru-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Ru-Zr +mp-1200333,La6CoCl11,-5.5472547636,-2.3773512256,0.0,-0.0225838146,GGA,P4_2/n,A11BC6_tP72_86_e2f4g_c_3g:Cl-Co-La,72.0,A11BC6_tP72_86_e2f4g_c_3g:Cl-Co-La +mp-1224665,Lu12Co31Sn16,-6.0258462068,-0.2841104853,0.0187662863,0.0187662863,GGA,Pm,A31B12C16_mP59_6_7a8b8c_2a2b4c_4a4b4c:Co-Lu-Sn,59.0,"Invalid WP multiplicities - A31B12C16_mP59_6_7a8b16c_2a2b8c_4a4b8c:Co-Lu-Sn, expected Lu20Co47Sn24 to be Lu12Co31Sn16" +mp-865797,LuCo2Sn,-6.0197418725,-0.3329523813,0.0212621275,0.0212621275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Lu-Sn,4.0,A2BC_cF16_225_c_a_b:Co-Lu-Sn +mp-1102047,LuCoSn,-5.685232735,-0.4722860117,0.0,-0.0507981763,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Lu-Sn,12.0,ABC_oP12_62_c_c_c:Co-Lu-Sn +mp-1210568,Lu6Co2Sn,-5.4175422533,-0.3784410794,0.0,-0.0171210847,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Lu-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Lu-Sn +mp-1222557,Lu4CoSn8,-4.8341404962,-0.4288562873,0.0385656595,0.0385656595,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Lu-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Lu-Sn +mp-1078982,YbCuSb2,-4.0891110988,-0.6149067412,0.0,-0.0257464908,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-Yb,,AB2C_tP8_129_a_bc_c:Cu-Sb-Yb +mp-11701,YbCuSb,-4.0408473467,-0.7849086167,0.0,-0.1126102301,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Sb-Yb,,ABC_hP6_186_b_b_a:Cu-Sb-Yb +mp-9439,YbCuSb,-4.0375883367,-0.7816496067,0.00325901,-0.1093512201,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Sb-Yb,,ABC_hP6_194_c_d_a:Cu-Sb-Yb +mp-1206807,Yb2CuSb3,-1.202111245,2.0587932467,2.8339926475,2.8339926475,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Cu-Sb-Yb,,AB3C2_tP6_123_a_bg_g:Cu-Sb-Yb +mp-1215528,Zr2Co3Mo,-8.4556901033,-0.2446893108,0.0236871604,0.0236871604,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Mo-Zr,6.0,A3BC2_hR18_166_d_a_c:Co-Mo-Zr +mp-1215796,Zr2Co3Mo,-8.4681517675,-0.257150975,0.0112254963,0.0112254963,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Mo-Zr,12.0,A3BC2_hP12_194_h_a_f:Co-Mo-Zr +mp-1005986,Zr9CoMo4,-9.2283511282,-0.1269065636,0.0,-0.0069907175,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:Co-Mo-Zr,28.0,AB4C9_hP28_194_c_ah_hk:Co-Mo-Zr +mp-1215484,Zr2CoMo3,-9.5823972533,-0.1256190225,0.0567256213,0.0567256213,GGA,R-3m,AB3C2_hR18_166_a_d_c:Co-Mo-Zr,6.0,AB3C2_hR18_166_a_d_c:Co-Mo-Zr +mp-1215659,Zr2CoMo3,-9.5893837817,-0.1326055508,0.0497390929,0.0497390929,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Co-Mo-Zr,12.0,AB3C2_hP12_194_a_h_f:Co-Mo-Zr +mp-1207986,Tm5SbPd2,-5.3975409419,-0.7890481948,0.0,-0.0050549674,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pd-Sb-Tm,16.0,A2BC5_tI32_140_h_a_cl:Pd-Sb-Tm +mp-1208001,Tm3(SbPd2)4,-5.5801712467,-0.8213335327,0.000947348,0.000947348,GGA,Fm-3m,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Tm,30.0,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Tm +mp-866205,TmSbPd2,-5.6112542175,-0.8701041467,0.0166816225,0.0166816225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sb-Tm,4.0,A2BC_cF16_225_c_a_b:Pd-Sb-Tm +mp-1018118,TmSbPd,-5.2998862367,-0.7049800789,0.2715169933,0.2715169933,GGA,F-43m,ABC_cF12_216_a_c_b:Pd-Sb-Tm,3.0,ABC_cF12_216_a_c_b:Pd-Sb-Tm +mp-4395,TbScGe,-5.9253310767,-0.7287100567,0.0010274888,0.0010274888,GGA,I4/mmm,ABC_tI12_139_e_c_e:Ge-Sc-Tb,6.0,ABC_tI12_139_e_c_e:Ge-Sc-Tb +mp-1207234,Yb2GaNi2,-4.05002926,-0.5165120715,0.0,-0.0444769845,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Yb,,AB2C2_oI10_71_a_f_h:Ga-Ni-Yb +mp-1095431,YbGaNi,-4.0055265167,-0.5562461892,0.0,-0.0032571767,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Yb,,ABC_oP12_62_c_c_c:Ga-Ni-Yb +mp-1203792,Yb4Ga21Ni10,-4.1192543,-0.4749738316,0.0091199387,0.0091199387,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Yb,,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Yb +mp-12895,YbGa4Ni,-3.7363209325,-0.4976327575,0.0,-0.0124166883,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Yb,,"Invalid WP multiplicities - A4BC_oC24_63_ac2f_c_c:Ga-Ni-Yb, expected YbGa6Ni to be YbGa4Ni" +mp-1178769,YbGa4Ni,-3.4673307825,-0.2286426075,0.26899015,0.2565734617,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Yb,,A4BC_oC24_63_acf_c_c:Ga-Ni-Yb +mp-1078497,YbGa2Ni,-3.94256944,-0.5985851888,0.0,-0.0161841886,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ni-Yb,,A2BC_oC16_63_f_c_c:Ga-Ni-Yb +mp-1189384,YbGa2Ni3,-4.7080653128000005,-0.5520302519,0.0,-0.0802976038,GGA,P6/mmm,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Yb,,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Yb +mp-1183077,Ac2YbMg,-2.856903705,-0.0113441188,0.0262321078,0.0262321078,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Mg-Yb,,A2BC_cF16_225_c_a_b:Ac-Mg-Yb +mp-979950,AcYbMg2,-2.2904883,-0.0751524531,0.0,-0.0059731725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Mg-Yb,,AB2C_cF16_225_a_c_b:Ac-Mg-Yb +mp-1022236,CeMg6Fe,-2.82337246,0.1772263731,0.2074428475,0.2074428475,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Fe-Mg,8.0,ABC6_oC16_38_a_b_abde:Ce-Fe-Mg +mp-1022318,CeMg6Fe,-2.8246193387,0.1759794944,0.2061959687,0.2061959687,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Fe-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ce-Fe-Mg +mp-1028002,CeMg14Fe,-2.1871577225,0.1132817191,0.1353484904,0.1353484904,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Fe-Mg, expected CeMg18Fe to be CeMg14Fe" +mp-1028432,CeMg14Fe,-2.1696190569,0.1308203847,0.152887156,0.152887156,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Fe-Mg, expected CeMg26Fe to be CeMg14Fe" +mp-1226521,CeMg2Fe,-4.0965355725,0.3043820438,0.3508979242,0.3508979242,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Fe-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Fe-Mg +mp-1080178,GdZnPd,-7.5753878811,-0.7368053278000001,0.0,-0.08646085,GGA,P-62m,ABC_hP9_189_f_ad_g:Gd-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Gd-Pd-Zn +mp-1206860,NdMgIn,-3.4513723356,-0.4113352647,0.0,-0.0745362281,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Nd,9.0,ABC_hP9_189_ad_g_f:In-Mg-Nd +mp-864612,Nd2MgIn,-3.7997060625,-0.3276414012,0.0,-0.0132101647,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Nd,4.0,ABC2_cF16_225_a_b_c:In-Mg-Nd +mp-1183845,CeSmMg2,-3.47737254,-0.0143136925,0.06326509,0.06326509,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Ce-Mg-Sm +mp-976341,Nd2ZnAg,-3.6870718825,-0.2799232629,0.0051257475,0.0051257475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Nd-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Nd-Zn +mp-974744,NdZn2Ag,-2.823241625,-0.293193961,0.0246140507,0.0246140507,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Nd-Zn +mp-1192376,Ba3AlAs3,-4.4014254218,-1.0471602982,0.0,-0.0520090613,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Al-As-Ba,28.0,AB3C3_oC56_64_d_fg_fg:Al-As-Ba +mp-1203016,Ba3Al3As5,-4.5501593044,-0.8875007285000001,0.0,-0.0176805401,GGA,R-3c,A3B5C3_hR198_167_ef_e2f_acf:Al-As-Ba,66.0,A3B5C3_hR198_167_ef_e2f_acf:Al-As-Ba +mp-1202519,Ba3(AlAs2)2,-4.4980319831,-0.9553041942,0.0,-0.005713633,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Al-As-Ba,36.0,A2B4C3_oP36_62_d_2cd_cd:Al-As-Ba +mp-867120,TaMn2Al,-8.7853525475,-0.3035065365,0.0,-0.0420228856,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Mn-Ta +mp-1218087,Ta3Mn8Al,-9.6269007275,-0.2423148061,0.0,-0.0292549355,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Ta,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Ta +mp-972241,Ti2ReTc,-10.0929833925,-0.4439458517,0.00330685,0.00330685,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Re-Tc-Ti +mp-865665,TiReTc2,-10.5403434925,-0.2750192196,0.0,-0.0112006937,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Re-Tc-Ti +mp-19959,LuTiGe,-6.37779968,-0.6979762161,0.0,-0.0267058623,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Lu-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Lu-Ti +mp-11749,Tm5(SiSb)2,-5.5302077939,-0.9204504987,0.0,-0.0190964475,GGA,Cmce,A2B2C5_oC36_64_d_f_ag:Sb-Si-Tm,18.0,A2B2C5_oC36_64_d_f_ag:Sb-Si-Tm +mp-1093599,SiTc2Mo,-5.6658401325,3.582221375,3.8498533625,3.8498533625,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Mo-Si-Tc +mp-1208310,TbSiPd2,-6.0834074337,-0.9785454962,0.0,-0.0557479758,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Si-Tb,16.0,A2BC_oP16_62_d_c_c:Pd-Si-Tb +mp-1208531,Tb2Si3Pd,-5.9807474283,-0.8599860783000001,0.0,-0.0770181187,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Pd-Si-Tb,24.0,AB3C2_hP24_194_f_k_bh:Pd-Si-Tb +mp-4250,Tb(SiPd)2,-6.091744508,-0.922791352,0.0,-0.1136689682,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Tb +mp-1208374,TbSiPd,-6.054455965,-0.9746006517,0.0,-0.0592082133,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Pd-Si-Tb,36.0,ABC_oP36_62_3c_3c_3c:Pd-Si-Tb +mp-1097447,LiBe2Rh,-2.1355106125,2.0525035042,2.4255265673,2.4255265673,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Li-Rh,4.0,A2BC_oI8_71_e_a_b:Be-Li-Rh +mp-1239018,LiBe2Rh,-3.8298415925,0.3581725242,0.7311955873,0.7311955873,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Li-Rh,4.0,A2BC_oI8_71_e_a_b:Be-Li-Rh +mp-1225328,Dy2PdPt,-6.2315886938,-1.1154414912,0.0,-0.0267129531,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Dy-Pd-Pt,8.0,A2BC_oP8_26_ab_a_b:Dy-Pd-Pt +mp-1185915,MgPaTc2,-8.0515233525,-0.0924677025,0.0,-0.0877677513,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Mg-Pa-Tc +mp-1187606,TmLuCu2,-4.59573872,-0.2969388992,0.0,-0.0398314681,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Lu-Tm +mp-966740,Cs5Tl11Cd2,-1.9131988933,-0.118095227,0.0,-0.1129141157,GGA,Amm2,A2B5C11_oC36_38_c_ade_a2b2d2e:Cd-Cs-Tl,18.0,"Invalid WP multiplicities - A2B5C11_oC36_38_c_a2d2e_a2b4d4e:Cd-Cs-Tl, expected Cs9Tl19Cd2 to be Cs5Tl11Cd2" +mp-1187263,Tb2PdRu,-6.5538321375,-0.623078,0.0,-0.0044841674,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ru-Tb,4.0,ABC2_cF16_225_a_b_c:Pd-Ru-Tb +mp-1225954,DyTlCu,-3.8548451433,-0.1652995911,0.1027457633,0.1027457633,GGA,P-3m1,ABC_hP6_164_d_c_d:Cu-Dy-Tl,6.0,ABC_hP6_164_d_c_d:Cu-Dy-Tl +mp-1096134,BeGePt2,-3.42303099,1.70314585,2.1173562565,2.1173562565,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ge-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Ge-Pt +mp-1187344,TbHoHg2,-2.934413295,-0.47837937,0.0075129425,0.0075129425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Tb,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Tb +mp-1096660,ScPd2Au,-3.70062216,1.2909065213,2.0780066983,2.0780066983,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Au-Pd-Sc +mp-972866,Sc2PdAu,-6.127348125,-0.84767262,0.0102628275,0.0102628275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Pd-Sc +mp-1190610,Ho7(TeAu)2,-4.9012624114,-0.8184226044,0.06061235,0.06061235,GGA,C2/m,A2B7C2_mC44_12_2i_ad6i_2i:Au-Ho-Te,22.0,A2B7C2_mC44_12_2i_ac6i_2i:Au-Ho-Te +mp-866138,LuSbRu2,-7.320078045,-0.520388835,0.0347648225,0.0347648225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Sb,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Sb +mp-1183595,CaYbTl2,-2.533195705,-0.4655720917,0.0002911775,0.0002911775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Tl-Yb,,AB2C_cF16_225_a_c_b:Ca-Tl-Yb +mp-1216663,TmGaAu,-4.3718383383,-0.7792338564,0.0,-0.0341961225,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ga-Tm,6.0,ABC_mC12_12_i_i_i:Au-Ga-Tm +mp-861644,ThCdPt2,-5.96658709,-0.8468334275,0.0782762838,0.0782762838,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pt-Th,4.0,AB2C_cF16_225_a_c_b:Cd-Pt-Th +mp-1187656,YbCeAu2,-4.30311749,-0.7980021312000001,0.0011984537,0.0011984537,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Yb,,A2BC_cF16_225_c_a_b:Au-Ce-Yb +mp-2273942,TmAsSe,-5.7484712733,-1.538182838,0.0,-0.0102817547,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Se-Tm,6.0,ABC_tP6_129_a_c_c:As-Se-Tm +mp-1222862,LaPrNi10,-5.8983526142,-0.2718293092,0.0,-0.0004873908,GGA,Pmmm,AB10C_oP12_47_a_fgijx_d:La-Ni-Pr,12.0,"Invalid WP multiplicities - AB10C_oP12_47_a_fg2ijx_d:La-Ni-Pr, expected LaPrNi12 to be LaPrNi10" +mp-862618,LiErHg2,-2.2029657025,-0.4319651008,0.0,-0.0025698375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Li +mp-1217867,Tb9Ni24Sn49,-4.9315503863,-0.3351894581,0.0184504624,0.0184504624,GGA,C2/m,A24B49C9_mC164_12_4i4j_a8i8j_defj:Ni-Sn-Tb,82.0,"Invalid WP multiplicities - A24B49C9_mC164_12_6i11j_a12i22j_c2e2f2j:Ni-Sn-Tb, expected Tb17Ni56Sn113 to be Tb9Ni24Sn49" +mp-1217546,TbNi3Sn2,-5.4489021783,-0.4499155367,0.0028966659,0.0028966659,GGA,P-62m,A3B2C_hP18_189_fk_fg_bc:Ni-Sn-Tb,18.0,A3B2C_hP18_189_fk_fg_bc:Ni-Sn-Tb +mp-1208395,TbNi3Sn2,-5.3442109856,-0.3452243439,0.1075878587,0.1075878587,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Ni-Sn-Tb,18.0,A3B2C_hP18_191_fl_k_ad:Ni-Sn-Tb +mp-22299,TbNiSn,-5.4784367575,-0.6704118792,0.0,-0.0853934114,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sn-Tb,12.0,ABC_oP12_62_c_c_c:Ni-Sn-Tb +mp-1068217,Tb2Ni2Sn,-5.553353798,-0.5856383150000001,0.0,-0.0054239413,GGA,Immm,A2BC2_oI10_71_e_c_g:Ni-Sn-Tb,5.0,A2BC2_oI10_71_e_c_g:Ni-Sn-Tb +mp-1078771,Tb2Ni2Sn,-5.550644522,-0.582929039,0.002709276,-0.0027146653,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ni-Sn-Tb,10.0,A2BC2_tP10_127_g_a_h:Ni-Sn-Tb +mp-1208362,TbNiSn4,-4.7663068200000005,-0.3575084533,0.0362397831,0.0362397831,GGA,Cmmm,AB4C_oC24_65_g_ac2gh_h:Ni-Sn-Tb,12.0,AB4C_oC24_65_g_ac2gh_h:Ni-Sn-Tb +mp-1198844,TbNiSn2,-5.1926552813,-0.5842436587000001,0.0,-0.0449710175,GGA,Pnma,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Tb,48.0,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Tb +mp-1105993,Tb6Ni2Sn,-5.2061610544,-0.3866008528,0.0313323575,0.0313323575,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Ni-Sn-Tb,18.0,A2BC6_oI36_71_fg_ab_lmn:Ni-Sn-Tb +mp-1210733,Lu4MgRh,-4.9301483412,-0.4220833412,0.0,-0.0454406124,GGA,F-43m,A4BC_cF96_216_efg_e_e:Lu-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:Lu-Mg-Rh +mp-865271,LuMgRh2,-6.0158181825,-0.8033566050000001,0.0,-0.0562137675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Lu-Mg-Rh +mp-977546,Pm2ZnGa,-3.9063311825,-0.4591001131,0.0,-0.1368265562,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Pm-Zn +mp-1078428,Ca2GaPt2,-4.8074259040000005,-0.9711134195,0.0,-0.0661733988,GGA,C2/c,A2BC2_mC20_15_f_e_f:Ca-Ga-Pt,10.0,A2BC2_mC20_15_f_e_f:Ca-Ga-Pt +mp-31152,CaGaPt,-4.6210131633,-0.9194034225,0.0,-0.0537522273,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Ga-Pt,12.0,ABC_oP12_62_c_c_c:Ca-Ga-Pt +mp-31479,Ca3(GaPt)2,-4.3170356636000005,-0.8577130457000001,0.0,-0.0280761464,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Ca-Ga-Pt,28.0,A3B2C2_oP28_57_de_cd_e:Ca-Ga-Pt +mp-1227072,CaGa3Pt,-4.086931,-0.6547267465000001,0.0,-0.0308187593,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ca-Ga-Pt,5.0,AB3C_tI10_107_a_ab_a:Ca-Ga-Pt +mp-866018,Ac2ZnGe,-3.93830241,-0.40702204,0.0,-0.1767394525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ge-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Ge-Zn +mp-11098,YbMgPd,-3.4599283917,-0.6866716783,0.0,-0.0857169243,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Pd-Yb,,ABC_oP12_62_c_c_c:Mg-Pd-Yb +mp-866208,Yb4MgPd,-2.5378897737,-0.3814572771,0.0,-0.0051544058,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Pd-Yb,,ABC4_cF96_216_e_e_efg:Mg-Pd-Yb +mp-1220598,Nb6InSe8,-7.1284915113,-1.0400377919,0.0184766127,0.0184766127,GGA,P-6,AB6C8_hP15_174_a_jk_cfjk:In-Nb-Se,15.0,AB6C8_hP15_174_a_jk_cfjk:In-Nb-Se +mp-21751,Nb3InSe12,-5.5251351231,-0.8372265868000001,0.103748077,0.103748077,GGA,P4/mnc,AB3C12_tP64_128_e_df_2h2i:In-Nb-Se,64.0,"Invalid WP multiplicities - AB3C12_tP64_128_e_df_3h4i:In-Nb-Se, expected Nb3InSe22 to be Nb3InSe12" +mp-1018116,NbInSe2,-5.8806217725,-0.9194188412,0.0025771425,-0.0090903687,GGA,P-6m2,ABC2_hP4_187_a_b_h:In-Nb-Se,4.0,ABC2_hP4_187_a_b_h:In-Nb-Se +mp-20279,NbInSe2,-5.883198915,-0.9219959837,0.0,-0.0116675112,GGA,P-6m2,ABC2_hP4_187_a_d_g:In-Nb-Se,4.0,ABC2_hP4_187_a_d_g:In-Nb-Se +mp-865920,YbPmZn2,-2.54299373,-0.3405842744,0.0,-0.0692076444,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Yb-Zn,,ABC2_cF16_225_a_b_c:Pm-Yb-Zn +mp-861986,Pr5Al2Ru3,-6.290018331,-0.3681295255,0.0,-0.0172354123,GGA,I2_13,A2B5C3_cI40_199_a_ab_b:Al-Pr-Ru,20.0,A2B5C3_cI40_199_a_ab_b:Al-Pr-Ru +mp-1209381,Pr3(Al3Ru)4,-5.7031934068,-0.6301809129,0.0,-0.0173556629,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Pr-Ru,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Pr-Ru +mp-1193957,Pr(Al5Ru)2,-5.1917299935,-0.5159246754,0.0,-0.0298738039,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Pr-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Pr-Ru +mp-1097541,Mg2HgPd,-1.2435908025,0.9274397662,1.4060234675,1.4060234675,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Pd +mp-1185884,MgHgPd2,-3.541028975,-0.4750979662,0.0,-0.0144809775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Hg-Mg-Pd +mp-972640,SmDyZn2,-3.29569938,-0.3344843312,0.0037191675,0.0037191675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Sm-Zn +mp-1184579,HfTiZn2,-5.27771592,-0.1846738533,0.0114154845,0.0114154845,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Ti-Zn,4.0,ABC2_cF16_225_a_b_c:Hf-Ti-Zn +mp-1097644,Mn2MoRh,-5.63403428,3.499462861,3.5939536198,3.5939536198,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Mo-Rh,4.0,A2BC_oI8_71_e_a_b:Mn-Mo-Rh +mp-1206420,Nd(ZnSi)2,-3.992165132,-0.3645109895,0.0100779292,0.0100779292,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Nd-Si-Zn,5.0,AB2C2_tI10_139_a_e_d:Nd-Si-Zn +mp-864895,Be2NiRh,-5.7477211025,-0.5919035325,0.0,-0.053854945,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ni-Rh,4.0,A2BC_cF16_225_c_a_b:Be-Ni-Rh +mp-1199220,Eu3Rh4Pb13,-5.7094810305,-0.284848591,0.0,-0.036906216,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Eu-Pb-Rh,40.0,A3B13C4_cP40_223_c_ak_e:Eu-Pb-Rh +mp-865422,YbTmRh2,-6.009103715,-0.8230888542,0.0,-0.029338895,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tm-Yb,,A2BC_cF16_225_c_a_b:Rh-Tm-Yb +mp-983362,Hf2FeTc,-10.095523435,-0.4092638813,0.0,-0.0350290853,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Hf-Tc,4.0,AB2C_cF16_225_a_c_b:Fe-Hf-Tc +mp-1185094,LaPmTl2,-4.00980474,-0.4068458098,0.0,-0.0616717088,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:La-Pm-Tl +mp-567502,Ga8Cu3Mo2,-4.6658665867,-0.1878905552,0.0,-0.05749122,GGA,I-43d,A3B8C2_cI104_220_d_ce_c:Cu-Ga-Mo,52.0,"Invalid WP multiplicities - A3B8C2_cI104_220_d_6c7e_c:Cu-Ga-Mo, expected Ga54Cu3Mo2 to be Ga8Cu3Mo2" +mp-1204344,Ga40CuMo8,-4.4638279627,-0.137537178,0.0030704205,0.0030704205,GGA,R-3,AB40C8_hR147_148_b_ad6f_cf:Cu-Ga-Mo,49.0,AB40C8_hR147_148_b_ad6f_cf:Cu-Ga-Mo +mp-978907,TbTlAg2,-3.4089610025,-0.2434306892,0.0192985394,0.0192985394,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Tb-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Tb-Tl +mp-631510,HfBe2Bi,-4.4817491075,0.8373768650000001,1.0417677775,1.0417677775,GGA,F-43m,A2BC_cF16_216_ac_b_d:Be-Bi-Hf,4.0,A2BC_cF16_216_ac_b_d:Be-Bi-Hf +mp-1095120,PrPdPb,-5.27842553,-0.7206139850000001,0.0,-0.0613195876,GGA,P-62m,ABC_hP9_189_f_bc_g:Pb-Pd-Pr,9.0,ABC_hP9_189_f_bc_g:Pb-Pd-Pr +mp-672187,Pr2Pd2Pb,-5.501618759,-0.774774319,0.0,-0.025507652,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Pb-Pd-Pr,10.0,AB2C2_tP10_127_a_g_h:Pb-Pd-Pr +mp-1095774,Hf2NiIr,-5.7597366225,2.8735006075,3.6070698475,3.6070698475,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Ni,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Ni +mp-1184611,Hf2NiIr,-9.34584149,-0.71260426,0.02096498,0.02096498,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Ni +mp-640051,Pu2Ni2Sn,-9.142410913,-0.321306538,0.0,-0.0395331941,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ni-Pu-Sn,10.0,A2B2C_tP10_127_g_h_a:Ni-Pu-Sn +mp-972635,SmErHg2,-2.9421402075,-0.4687237888,0.0,-0.0711042456,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Sm +mp-1183860,CePrHg2,-3.2049333875,-0.3745944775,0.00521149,0.00521149,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Pr,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Pr +mp-1208468,Tb4CdPt,-4.8531598183,-0.597911905,0.0,-0.0274197946,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pt-Tb,24.0,ABC4_cF96_216_e_e_efg:Cd-Pt-Tb +mp-1187326,TbCdPt2,-5.23706031,-0.812179685,0.0142839135,0.0142839135,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pt-Tb,4.0,AB2C_cF16_225_a_c_b:Cd-Pt-Tb +mp-1095854,MgZrAg2,-1.974110135,1.9791630367,2.1651684075,2.1651684075,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Mg-Zr,4.0,A2BC_oI8_71_e_a_b:Ag-Mg-Zr +mp-961724,ZrBiRh,-6.6027029033,-0.0185370267,0.5321711165,0.5321711165,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Rh-Zr,3.0,ABC_cF12_216_a_b_c:Bi-Rh-Zr +mp-628593,Yb5(InSb3)2,-3.7581895096,-0.8370036404000001,0.0,-0.0070357736,GGA,Pbam,A2B6C5_oP26_55_h_g2h_a2g:In-Sb-Yb,,"Invalid WP multiplicities - A2B6C5_oP26_55_h_4g4h_2a4g:In-Sb-Yb, expected Yb5InSb8 to be Yb5(InSb3)2" +mp-570504,Yb11InSb9,-3.7599852471,-1.0529192486,0.0,-0.0503762297,GGA,Iba2,AB9C11_oI84_45_a_b4c_a5c:In-Sb-Yb,,"Invalid WP multiplicities - AB9C11_oI84_45_a_2b11c_2a19c:In-Sb-Yb, expected Yb40InSb24 to be Yb11InSb9" +mp-1186254,Nd2TlCd,-3.556535435,-0.3510784921,0.0040128425,0.0040128425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Nd-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Nd-Tl +mp-1018819,NdTlCd,-3.015604415,-0.3310443019,0.0163353733,0.0163353733,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cd-Nd-Tl,6.0,ABC_hP6_194_c_a_d:Cd-Nd-Tl +mp-867187,ScInIr2,-7.3249659025,-0.6347106037,0.0,-0.0218348197,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ir-Sc,4.0,AB2C_cF16_225_a_c_b:In-Ir-Sc +mp-1210294,Sc25InIr7,-7.3547859736,-0.5992571671,0.0,-0.0078933635,GGA,Fm-3,AB7C25_cF264_202_c_abh_efhi:In-Ir-Sc,66.0,AB7C25_cF264_202_c_abh_efhi:In-Ir-Sc +mp-1096700,TaBeCo2,-4.2718174325,3.1816390887,3.4594719099,3.4594719099,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Co-Ta,4.0,AB2C_oI8_71_a_e_b:Be-Co-Ta +mp-1103553,Tm(GaFe)6,-5.9745265723,-0.3234082017,0.0,-0.05699878,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Tm,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Tm +mp-672257,Tm2Ga8Fe,-4.2215472027,-0.435505363,0.0064292478,0.0064292478,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Tm,11.0,"Invalid WP multiplicities - AB8C2_tP11_123_a_2e2h2i_g:Fe-Ga-Tm, expected Tm2Ga16Fe to be Tm2Ga8Fe" +mp-1197720,Tm2Ga3Fe14,-7.3073287132,-0.1169994577,0.0480434107,0.0480434107,GGA,P6_3/mmc,A14B3C2_hP38_194_fjk_g_bc:Fe-Ga-Tm,38.0,A14B3C2_hP38_194_fjk_g_bc:Fe-Ga-Tm +mp-1203778,Tm2Ga2Fe15,-7.5450429205,-0.0682965499,0.0626220563,0.0626220563,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Fe-Ga-Tm,38.0,A15B2C2_hP38_194_gjk_f_bc:Fe-Ga-Tm +mp-861935,CaSnRh2,-5.7370529775,-0.5511061088,0.0,-0.0486365303,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Sn +mp-11959,CaSn2Rh,-5.0050032537,-0.6577403887000001,0.0,-0.1022349156,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ca-Rh-Sn,8.0,ABC2_oC16_63_c_c_f:Ca-Rh-Sn +mp-4363,Ca3Sn13Rh4,-4.8829568825,-0.5030336207,0.0,-0.0261944365,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ca-Rh-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ca-Rh-Sn +mp-865049,HfMgPd2,-6.20453649,-0.7252283150000001,0.0,-0.0099500313,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Hf-Mg-Pd +mp-1097422,ZnInRh2,-2.6904381525,1.9945726175,2.42243017,2.393671685,GGA,Immm,AB2C_oI8_71_a_e_b:In-Rh-Zn,4.0,AB2C_oI8_71_a_e_b:In-Rh-Zn +mp-1187922,ZnInRh2,-5.1128683225,-0.4278575525,0.0,-0.028758485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:In-Rh-Zn +mp-567347,Li2AgSn,-3.03557577,-0.3705823721,0.0,-0.0525040024,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ag-Li-Sn,4.0,AB2C_cF16_216_a_bc_d:Ag-Li-Sn +mp-30350,Li2AgSn,-2.977662895,-0.3126694971,0.057912875,0.0054088726,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Li-Sn +mp-2927,LiAg2Sn,-3.1315659025,-0.2356642204,0.0,-0.0407761275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Sn +mp-1080714,Li2AgSn2,-3.245452915,-0.3115438257,0.0,-0.015077928,GGA,I4_1/amd,AB2C2_tI20_141_a_e_e:Ag-Li-Sn,10.0,AB2C2_tI20_141_a_e_e:Ag-Li-Sn +mp-567528,Li17(AgSn2)3,-2.8602278738,-0.3599668018,0.0101539838,0.0101539838,GGA,P31m,A3B17C6_hP26_157_ab_a2b4c_2c:Ag-Li-Sn,26.0,"Invalid WP multiplicities - A3B17C6_hP26_157_ab_a4b10c_4c:Ag-Li-Sn, expected Li13AgSn4 to be Li17(AgSn2)3" +mp-1222568,Li3Ag3Sn2,-3.05849957,-0.27805203,0.0250712662,0.0250712662,GGA,R3m,A3B3C2_hR24_160_3a_3a_2a:Ag-Li-Sn,8.0,A3B3C2_hR24_160_3a_3a_2a:Ag-Li-Sn +mp-1232145,ErMgSe3,-4.721561171,-1.3904145124,0.3293555842,0.3293555842,GGA,C2/m,ABC3_mC20_12_i_g_ij:Er-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:Er-Mg-Se +mp-1232210,ErMgSe3,-4.8363628833,-1.5052162247,0.2145538719,0.2145538719,GGA,R-3,ABC3_hR30_148_c_c_f:Er-Mg-Se,30.0,ABC3_hR30_148_c_c_f:Er-Mg-Se +mp-1232078,Er2MgSe4,-5.3035617982,-1.7722241438,0.1945975936,0.1945975936,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Er-Mg-Se,28.0,A2BC4_aP28_2_4i_2i_8i:Er-Mg-Se +mp-1232086,Er2MgSe4,-5.4560791187,-1.9247414644,0.042080273,0.042080273,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Er-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Er-Mg-Se +mp-1232076,Er2MgSe4,-5.4239048932,-1.8925672388,0.0742544986,0.0742544986,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Er-Mg-Se +mp-1232077,Er2MgSe4,-5.4683232129,-1.9369855585,0.0298361789,0.0298361789,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Er-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Er-Mg-Se +mp-1232156,Er2MgSe4,-5.2445915043,-1.7132538499,0.2535678875,0.2535678875,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Er-Mg-Se,28.0,A2BC4_oP28_62_2c_c_2cd:Er-Mg-Se +mp-1232075,Er2MgSe4,-5.390511765,-1.8591741106,0.1076476268,0.1076476268,GGA,I-42d,A2BC4_tI28_122_d_a_e:Er-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Er-Mg-Se +mp-1103561,Er2MgSe4,-5.4920012514,-1.9606635971,0.0061581404,0.0061581404,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Er-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:Er-Mg-Se +mp-1211259,Lu6Ta4Al43,-4.7330801076,-0.2874843656,0.0,-0.0094066535,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Ta +mp-1217690,Tb2ZrAl9,-4.7260823017,-0.4321976933,0.0205733283,0.0205733283,GGA,P4/mmm,A9B2C_tP12_123_aegi_h_c:Al-Tb-Zr,12.0,"Invalid WP multiplicities - A9B2C_tP12_123_a2eg3i_h_c:Al-Tb-Zr, expected Tb2ZrAl19 to be Tb2ZrAl9" +mp-1106409,Tb4ZrAl15,-4.579915427,-0.416475303,0.029398587,0.029398587,GGA,R-3m,A15B4C_hR60_166_d2h_2c_b:Al-Tb-Zr,20.0,A15B4C_hR60_166_d2h_2c_b:Al-Tb-Zr +mp-1205995,HoMgGa,-3.5574658744,-0.4872042269,0.0,-0.0605191046,GGA,P-62m,ABC_hP9_189_ad_f_g:Ga-Ho-Mg,9.0,ABC_hP9_189_ad_f_g:Ga-Ho-Mg +mp-1184629,Ho2MgGa,-3.7791805725,-0.3308821194,0.0409389305,0.0409389305,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ho-Mg,4.0,AB2C_cF16_225_a_c_b:Ga-Ho-Mg +mp-977547,MgZnRh2,-4.82952913,-0.43236928,0.0,-0.0077487725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Zn +mp-1093878,MgZn2Rh,-1.3396315325,1.5313872525,1.8744312377,1.8744312377,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Rh-Zn,4.0,ABC2_oI8_71_a_b_e:Mg-Rh-Zn +mp-1185619,MgZn2Rh,-3.2105724675,-0.3395536825,0.0034903027,0.0034903027,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Rh-Zn +mp-978267,Mg2ZnRh,-3.2919079175,-0.3357550225,0.0138493077,0.0138493077,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Mg-Rh-Zn +mp-1217202,Ti3Cr9Si4,-8.6196045994,-0.3530311369,0.0475876574,0.0475876574,GGA,Pm,A9B4C3_mP16_6_2a3b2c_2a2b_2ab:Cr-Si-Ti,16.0,"Invalid WP multiplicities - A9B4C3_mP16_6_2a3b4c_2a2b_2ab:Cr-Si-Ti, expected Ti3Cr13Si4 to be Ti3Cr9Si4" +mp-1217236,Ti3Cr3Si5,-7.8257278623,-0.5737088977,0.0113964427,0.0113964427,GGA,C2/m,A3B5C3_mC44_12_ij_g4i_3i:Cr-Si-Ti,,A3B5C3_mC44_12_ij_g4i_3i:Cr-Si-Ti +mp-1217231,Ti3Cr3Si5,-7.6356481005,-0.3836291359,0.2014762045,0.2014762045,GGA,Immm,A3B5C3_oI44_71_ek_efgm_hm:Cr-Si-Ti,22.0,A3B5C3_oI44_71_ek_efgm_hm:Cr-Si-Ti +mp-1208248,Ti2Cr4Si5,-7.9404944091,-0.5286976761000001,0.0,-0.0382625906,GGA,Ibam,A4B5C2_oI44_72_fj_a2j_j:Cr-Si-Ti,22.0,A4B5C2_oI44_72_fj_a2j_j:Cr-Si-Ti +mp-1217346,Ti3Cr17Si12,-8.2039250516,-0.3010469453,0.1280631007,0.1280631007,GGA,Amm2,A17B12C3_oC64_38_a4f_2cdef_a2b:Cr-Si-Ti,32.0,"Invalid WP multiplicities - A17B12C3_oC64_38_a16f_4c2d2ef_a2b:Cr-Si-Ti, expected Ti3(Cr13Si4)5 to be Ti3Cr17Si12" +mp-1217270,Ti(CrSi3)2,-6.9736361722,-0.3343589348,0.0535970433,0.0535970433,GGA,C222,A2B6C_oC18_21_k_el_a:Cr-Si-Ti,9.0,"Invalid WP multiplicities - A2B6C_oC18_21_k_2e2l_a:Cr-Si-Ti, expected Ti(CrSi6)2 to be Ti(CrSi3)2" +mp-1217151,Ti2Cr3Si,-8.6906397817,-0.3280657028,0.0198570744,0.0198570744,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cr-Si-Ti,12.0,A3BC2_hP12_194_h_a_f:Cr-Si-Ti +mp-1216927,TiCrSi4,-6.9138913783,-0.3722561106,0.0472238833,0.0472238833,GGA,P2,AB4C_mP18_3_2bc_6e_2ac:Cr-Si-Ti,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2b_12e_a2c:Cr-Si-Ti, expected TiCrSi8 to be TiCrSi4" +mp-1217112,Ti2CrSi6,-6.8565851722,-0.4125918741,0.0384121356,0.0384121356,GGA,C222,AB6C2_oC18_21_a_el_k:Cr-Si-Ti,9.0,"Invalid WP multiplicities - AB6C2_oC18_21_a_2e2l_k:Cr-Si-Ti, expected Ti2CrSi12 to be Ti2CrSi6" +mp-1186595,PmHoCu2,-4.5883434225,-0.2055022894,0.0030119494,0.0030119494,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ho-Pm,4.0,A2BC_cF16_225_c_a_b:Cu-Ho-Pm +mp-1222953,LaAs2Au,-5.1996842663,-0.8176527875,0.0,-0.0205374788,GGA,Fmm2,A2BC_oF32_42_cd_b_c:As-Au-La,8.0,A2BC_oF32_42_cd_b_c:As-Au-La +mp-1025531,LaAs2Au,-5.1925370675,-0.8105055887,0.0071471988,-0.01339028,GGA,I4/mmm,A2BC_tI16_139_ce_d_e:As-Au-La,8.0,A2BC_tI16_139_ce_d_e:As-Au-La +mp-1210651,Lu5Ni2Bi,-5.2348719525,-0.4841825662,0.0,-0.0257112822,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Lu-Ni,16.0,AB5C2_tI32_140_a_cl_h:Bi-Lu-Ni +mp-30457,LuNiBi,-5.3660270167,-0.6521682400000001,0.0,-0.1150796305,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Lu-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Lu-Ni +mp-1183070,Ac2TlSn,-4.1251637675,-0.4715225133,0.0,-0.2640403462,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Sn-Tl,4.0,A2BC_cF16_225_c_a_b:Ac-Sn-Tl +mp-1232425,Gd2NiIr,-11.2832616875,-0.5905578525,0.0,-0.1919858078,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Gd-Ir-Ni +mp-1184387,Gd2RuRh,-11.733678605,-0.5359398825,0.0,-0.03852137,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Rh-Ru +mp-1093926,BeGaPt2,-3.139599935,1.5878439469,2.1091495604,2.1091495604,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ga-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Ga-Pt +mp-1097252,MnTc2Sb,-5.2719954475,3.231078158,3.29476087,3.2942553962,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Sb-Tc,4.0,ABC2_oI8_71_a_b_e:Mn-Sb-Tc +mp-1186002,MnTc2Sb,-8.5667563175,-0.063682712,0.0,-0.0005054737,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Sb-Tc,4.0,ABC2_cF16_225_a_b_c:Mn-Sb-Tc +mp-1185078,LaYbPd2,-5.046955835,-0.8381110838,0.0079623075,0.0079623075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Pd-Yb,,AB2C_cF16_225_a_c_b:La-Pd-Yb +mp-1222674,Lu4Ge8Pd,-5.2147580377,-0.5803036738,0.0423713664,0.0423713664,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Pd,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Pd +mp-1189057,LuGePd2,-5.7847292056,-0.9087937069,0.0,-0.0296742923,GGA,Pnma,ABC2_oP16_62_c_c_d:Ge-Lu-Pd,16.0,ABC2_oP16_62_c_c_d:Ge-Lu-Pd +mp-1106214,LuGePd,-5.7408655644,-0.9662455028,0.0,-0.097522963,GGA,Imm2,ABC_oI36_44_3c_ab2c_3c:Ge-Lu-Pd,18.0,ABC_oI36_44_3c_ab2c_3c:Ge-Lu-Pd +mp-1223745,HoMnFe,-7.3937085,0.011106624,0.0643864053,0.0643864053,GGA,Imma,ABC_oI12_74_a_e_c:Fe-Ho-Mn,6.0,ABC_oI12_74_a_e_c:Fe-Ho-Mn +mp-1211033,Lu12In2Fe3,-5.2176395276,-0.2079432141,0.0,-0.0459591401,GGA,I4/mmm,A3B2C12_tI34_139_ae_c_hn:Fe-In-Lu,17.0,A3B2C12_tI34_139_ae_c_hn:Fe-In-Lu +mp-1186790,Pr3Eu,-6.0612748925,0.0886548738,0.0886548738,0.0886548738,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Pr,4.0,AB3_tI8_139_a_bd:Eu-Pr +mp-1186762,PrEuHg2,-4.42857713,-0.5172600587,0.0,-0.00304711,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Pr,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Pr +mp-1186547,PrEu3,-8.83377138,0.0542064087,0.0542064087,0.0542064087,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Pr,8.0,A3B_hP8_194_h_c:Eu-Pr +mp-22277,EuCuAs,-7.18520077,-0.8467584783000001,0.0,-0.0701336122,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Cu-Eu,6.0,ABC_hP6_194_c_d_a:As-Cu-Eu +mp-1196262,Eu7Cu44As23,-5.1192574265,-0.2635300022,0.0,-0.0130677272,GGA,Fm-3m,A23B44C7_cF296_225_acfh_fik_be:As-Cu-Eu,74.0,A23B44C7_cF296_225_acfh_fik_be:As-Cu-Eu +mp-10442,Eu(Cu2As)2,-5.51711562,-0.37824915,0.0,-1.8368e-06,GGA,R-3m,A2B4C_hR21_166_c_2c_a:As-Cu-Eu,7.0,"Invalid WP multiplicities - A2B4C_hR21_166_c_4c_a:As-Cu-Eu, expected Eu(Cu4As)2 to be Eu(Cu2As)2" +mp-11304,Li2CdPb,-2.3526345925,-0.2392889517,0.0306703875,0.0220970413,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cd-Li-Pb,4.0,AB2C_cF16_216_a_bc_d:Cd-Li-Pb +mp-11305,Li2CdPb,-2.38330498,-0.2699593392,0.0,-0.0085733462,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Pb +mp-1005755,SmGe2Pt,-5.9041408856,-0.8951970944000001,0.0,-0.0345780493,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pt-Sm,16.0,"Invalid WP multiplicities - A2BC_oI32_71_2e2fm_m_ei:Ge-Pt-Sm, expected SmGe3Pt to be SmGe2Pt" +mp-1219011,SmGePt,-6.17616508,-1.0385826433,0.0669678333,-0.0441574429,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pt-Sm,,ABC_mC12_12_i_i_i:Ge-Pt-Sm +mp-505483,SmGePt,-6.2431329133,-1.1055504767,0.0,-0.1111252763,GGA,Pmmn,ABC_oP24_59_2e_2e_abe:Ge-Pt-Sm,24.0,ABC_oP24_59_2e_2e_abe:Ge-Pt-Sm +mp-20293,SmGePt,-6.2298827408,-1.0923003042,0.0132501725,-0.0978751038,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Sm +mp-570669,Sm3(Ge3Pt2)2,-5.9973552617,-0.9067045837,0.0,-0.0078250806,GGA,Pnma,A6B4C3_oP52_62_6c_4c_3c:Ge-Pt-Sm,52.0,"Invalid WP multiplicities - A6B4C3_oP52_62_21c_12c_10c:Ge-Pt-Sm, expected Sm10(Ge7Pt4)3 to be Sm3(Ge3Pt2)2" +mp-1208706,Sm(Ge3Pt)4,-5.3403360441,-0.3709564162,0.0218811597,0.0218811597,GGA,Im-3,A12B4C_cI34_204_g_c_a:Ge-Pt-Sm,17.0,A12B4C_cI34_204_g_c_a:Ge-Pt-Sm +mp-1195135,Sm3Ge13Pt4,-5.4528755973,-0.5258929072,0.0634650721,0.0634650721,GGA,Cc,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Sm,40.0,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Sm +mp-1188952,Sm2Ge5Pt3,-5.88320455,-0.8066333995,0.0135420596,0.0135420596,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Pt-Sm,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Pt-Sm +mp-1209178,Sm2(GePt)3,-4.8576756338,0.3322813406,1.3123448675,1.3123448675,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Pt-Sm,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Pt-Sm +mp-1079462,Sm(GePt)2,-6.120751685,-0.899369988,0.005401369,-0.048624155,GGA,Pmn2_1,A2B2C_oP10_31_2a_2a_a:Ge-Pt-Sm,10.0,A2B2C_oP10_31_2a_2a_a:Ge-Pt-Sm +mp-1092291,Sm(GePt)2,-6.126153054,-0.904771357,0.0,-0.054025524,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Pt-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Pt-Sm +mp-1219233,Sm2Ge3Pt,-5.7559399433,-0.8597084175,0.0381986179,0.0381986179,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Ge-Pt-Sm,6.0,A3BC2_oP6_25_a2b_a_cd:Ge-Pt-Sm +mp-567736,TaPbSe2,-6.5228406425,-0.8822787287,0.0,-0.0324254525,GGA,P-6m2,AB2C_hP4_187_a_g_d:Pb-Se-Ta,4.0,AB2C_hP4_187_a_g_d:Pb-Se-Ta +mp-1208576,TaCoAs,-8.2948287783,-0.4197575017,0.0,-0.0184469318,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-Ta,12.0,ABC_oP12_62_c_c_c:As-Co-Ta +mp-867867,SmMgAu2,-3.970233805,-0.7535762587,0.0,-0.0324939062,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Sm +mp-1205979,SmMgAu,-3.8633596656,-0.6657769372,0.0,-0.0861543499,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Mg-Sm,9.0,ABC_hP9_189_ad_g_f:Au-Mg-Sm +mp-1185858,MgCr,-5.03761581,0.58904795,0.5987795046000001,0.5987795046000001,GGA,P4/mmm,AB_tP2_123_a_d:Cr-Mg,2.0,AB_tP2_123_a_d:Cr-Mg +mp-973060,MgCr,-5.051292515,0.575371245,0.5851027996,0.5851027996,GGA,Pm-3m,AB_cP2_221_a_b:Cr-Mg,2.0,AB_cP2_221_a_b:Cr-Mg +mp-1023490,Mg15Cr,-2.0313320419,0.0722459719,0.0904926368,0.0904926368,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Cr-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Cr-Mg, expected Mg27Cr to be Mg15Cr" +mp-1016326,Mg7Cr,-2.4697425275,0.13713345,0.1541636706,0.1541636706,GGA,P-6m2,AB7_hP8_187_a_djk:Cr-Mg,8.0,AB7_hP8_187_a_djk:Cr-Mg +mp-1026739,CeMg14Cr,-2.2677285262,0.1066500566,0.1271131714,0.1271131714,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Cr-Mg, expected CeMg18Cr to be CeMg14Cr" +mp-1026723,CeMg14Cr,-2.2496995894,0.1246789934,0.1451421082,0.1451421082,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Cr-Mg, expected CeMg26Cr to be CeMg14Cr" +mp-1016225,Mg3Cr,-3.3192552325,0.2942166725,0.3088140044,0.3088140044,GGA,Pmm2,AB3_oP4_25_a_bcd:Cr-Mg,4.0,AB3_oP4_25_a_bcd:Cr-Mg +mp-1180365,Mg3Cr,-3.2736087525,0.3398631525,0.3544604844,0.3544604844,GGA,Pnma,AB3_oP16_62_c_3c:Cr-Mg,16.0,AB3_oP16_62_c_3c:Cr-Mg +mp-978277,Mg3Cr,-3.3515646775,0.2619072275,0.2765045594,0.2765045594,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Mg,4.0,AB3_tI8_139_a_bd:Cr-Mg +mp-1185788,Mg3Cr,-3.3494868263,0.2639850787,0.2785824107,0.2785824107,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Mg,8.0,AB3_hP8_194_c_h:Cr-Mg +mp-1017453,CeMg6Cr,-2.93025534,0.2182217756,0.239684896,0.239684896,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ce-Cr-Mg, expected CeMg12Cr to be CeMg6Cr" +mp-1099327,CeMg6Cr,-2.92926588,0.2192112356,0.240674356,0.240674356,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Cr-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ce-Cr-Mg +mp-1185585,Mg149Cr,-1.6732985213,-0.0193333552,0.0,-0.0193333552,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Cr-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j7k5l6m16n8o:Cr-Mg, expected Mg312Cr to be Mg149Cr" +mp-1226553,CeScAl4,-4.9642064333,-0.42289617,0.0526384708,0.0526384708,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Sc,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Sc +mp-1223006,LaAl2Ag3,-3.8272936483,-0.3398225192,0.0,-0.0887401767,GGA,Cmmm,A3B2C_oC12_65_ah_e_c:Ag-Al-La,6.0,A3B2C_oC12_65_ah_e_c:Ag-Al-La +mp-16766,LaAl2Ag3,-3.7590784583,-0.2716073292,0.06821519,-0.0205249867,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ag-Al-La,6.0,A3B2C_hP6_191_g_c_a:Ag-Al-La +mp-1185007,LaAlAg2,-3.86172923,-0.2750554946,0.0702665854,0.0702665854,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-La,4.0,A2BC_cF16_225_c_a_b:Ag-Al-La +mp-1219916,Pr(ZnGa)2,-3.144970646,-0.473653642,0.0,-0.0149413348,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ga-Pr-Zn,5.0,A2BC2_tI10_139_d_a_e:Ga-Pr-Zn +mp-1018946,PrZnGa,-3.5629605333,-0.5400454042,0.0,-0.0129671433,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Pr-Zn,6.0,ABC_hP6_194_c_a_d:Ga-Pr-Zn +mp-1186694,Pr2ZnGa,-3.8967580425,-0.4343452569,0.00838601,0.00838601,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pr-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Pr-Zn +mp-866031,Al2FeIr,-6.88069772,-0.6807959575,0.0,-0.037863605,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Fe-Ir,4.0,A2BC_cF16_225_c_a_b:Al-Fe-Ir +mp-1096072,AlFeIr2,-4.5267612825,2.9463550675,3.4502052892,3.4502052892,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Fe-Ir,4.0,ABC2_oI8_71_a_b_e:Al-Fe-Ir +mp-1183163,AlFeIr2,-7.9590031025,-0.4858867525,0.0179634692,0.0179634692,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Fe-Ir,4.0,ABC2_cF16_225_a_b_c:Al-Fe-Ir +mp-1187466,Ti3Cd,-6.1037043375,0.048637115,0.1008369942,0.1008369942,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Ti,4.0,AB3_cP4_221_a_c:Cd-Ti +mp-1095949,TiCdAu2,-2.522953805,1.3185826392,1.645272005,1.645272005,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Ti +mp-30500,TiCd,-4.4610431975,-0.0518523092,0.00034757,0.00034757,GGA,P4/nmm,AB_tP4_129_c_c:Cd-Ti,4.0,AB_tP4_129_c_c:Cd-Ti +mp-30501,Ti2Cd,-5.6408911033,-0.0695998389,0.0,-0.0350316328,GGA,I4/mmm,AB2_tI6_139_a_e:Cd-Ti,3.0,AB2_tI6_139_a_e:Cd-Ti +mp-1187478,TiCd3,-2.6193362650000003,0.0467040592,0.0728039988,0.0728039988,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Ti,8.0,A3B_hP8_194_h_c:Cd-Ti +mp-1199653,Hf2TiNi3,-7.9352685083,-0.4102218222,0.0678306633,0.0678306633,GGA,Fddd,A2B3C_oF192_70_efh_3h_abe:Hf-Ni-Ti,48.0,A2B3C_oF192_70_efh_3h_abe:Hf-Ni-Ti +mp-1097535,HfTiNi2,-4.4720437425,2.8811948592,3.33869798,3.33869798,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ni-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Ni-Ti +mp-1095954,TiGeOs2,-5.304719405,3.4385942779,3.8254030046,3.8254030046,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Os-Ti,4.0,AB2C_oI8_71_a_e_b:Ge-Os-Ti +mp-1208195,TiGeOs,-8.4310407361,-0.5157449689,0.0,-0.0359729093,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Os-Ti,18.0,ABC_oI36_46_bc_ac_3b:Ge-Os-Ti +mp-31202,Pr(SiAu)2,-5.026021536,-0.590160373,0.0,-0.1180471627,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Pr-Si +mp-1103261,SiPtSe,-5.8054902975000005,-0.8080360216,0.0,-0.0679363375,GGA,Pca2_1,ABC_oP12_29_a_a_a:Pt-Se-Si,12.0,ABC_oP12_29_a_a_a:Pt-Se-Si +mp-15206,Ho2Si5Ni3,-6.1153848755,-0.7522030825,0.0066528103,0.0066528103,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ho-Ni-Si,20.0,"Invalid WP multiplicities - A2B3C5_oI40_72_j_2a2j_bfj:Ho-Ni-Si, expected Ho2Si5Ni6 to be Ho2Si5Ni3" +mp-5150,HoSi2Ni,-6.1343435862,-0.8310481838,0.0,-0.0722477546,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ho-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Ho-Ni-Si +mp-1212133,HoSiNi,-6.0616367442,-0.7990155508,0.0,-0.0551689598,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ni-Si,12.0,ABC_oP12_62_c_c_c:Ho-Ni-Si +mp-542390,Ho(SiNi5)2,-6.0776540304,-0.4442377435,0.0,-0.0201771558,GGA,P4/nmm,AB10C2_tP26_129_c_d2i_e:Ho-Ni-Si,26.0,AB10C2_tP26_129_c_d2i_e:Ho-Ni-Si +mp-1071731,HoSiNi4,-6.13991549,-0.6185365533,0.0,-0.0707590242,GGA,Cmmm,AB4C_oC12_65_a_fg_c:Ho-Ni-Si,6.0,AB4C_oC12_65_a_fg_c:Ho-Ni-Si +mp-1191275,Ho3(SiNi3)2,-6.0591138895,-0.6701427305000001,0.0,-0.0280092253,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Ho-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Ho-Ni-Si +mp-2924,Ho(SiNi)2,-6.227953828,-0.82929017,0.0,-0.0644238447,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Ni-Si +mp-1200132,HoSi3Ni5,-6.2234378603,-0.6946549314,0.0,-0.0269477715,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Ho-Ni-Si,36.0,AB5C3_oP36_62_c_5c_3c:Ho-Ni-Si +mp-1204778,Yb2Mn3Si5,-6.182323635,-0.4131383764,0.0538632448,0.0538632448,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Yb,,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Yb +mp-21439,YbMnSi,-5.6823839617,-0.306736761,0.0946631973,0.0946631973,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Si-Yb,,ABC_oP12_62_c_c_c:Mn-Si-Yb +mp-13398,Yb(MnSi)2,-6.579682144,-0.4368271592,0.0,-0.0178374118,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Yb,,A2B2C_tI10_139_d_e_a:Mn-Si-Yb +mp-1096319,Zr2TcAg,-4.5455150075,3.0266340446,3.2153992203,3.2153992203,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Ag-Tc-Zr +mp-862686,LiAc2Ru,-4.87160238,-0.0151835246,0.0,-0.0151835246,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Ac-Li-Ru +mp-1183816,DyNpRu2,-9.2218044375,-0.1959615372,0.0489137547,0.0489137547,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Np-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Np-Ru +mp-1183869,DyNp3,-10.169117325,0.6934141459000001,0.6934141459000001,0.6934141459000001,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-Np,4.0,AB3_tI8_139_a_bd:Dy-Np +mp-1184159,ErHfRu2,-8.873305975000001,-0.604877745,0.0,-0.0028410553,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Hf-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Hf-Ru +mp-1189855,Ce(As3Os)4,-6.6426164100000005,-0.3630881903,0.0,-0.0336745416,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Ce-Os,17.0,A12BC4_cI34_204_g_a_c:As-Ce-Os +mp-1097664,MnNb2Os,-5.9460097375,4.201988463,4.4053363395,4.4053363395,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Nb-Os,4.0,AB2C_oI8_71_a_e_b:Mn-Nb-Os +mp-1093824,Ba2AgPd,-2.090815075,0.8717818483,1.2841889981,1.2841889981,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ba-Pd,4.0,AB2C_oI8_71_a_e_b:Ag-Ba-Pd +mp-1185446,Lu2TlIn,-3.85626933,-0.3172123508,0.003533145,0.003533145,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Lu-Tl,4.0,AB2C_cF16_225_a_c_b:In-Lu-Tl +mp-864957,MnSbRu2,-8.08922397,-0.129268567,0.0159012909,0.0159012909,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ru-Sb,4.0,AB2C_cF16_225_a_c_b:Mn-Ru-Sb +mp-1187657,YbCeAg2,-3.54605625,-0.2616038896,0.015365285,0.015365285,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ce-Yb,,A2BC_cF16_225_c_a_b:Ag-Ce-Yb +mp-1078370,CeBi2Au,-4.8091073,-0.5871199462000001,0.0,-0.0188358317,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Bi-Ce,8.0,AB2C_tP8_129_a_bc_c:Au-Bi-Ce +mp-1105587,Ce3Bi4Au3,-4.980227936,-0.6819409375000001,0.0,-0.042134455,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Bi-Ce,20.0,A3B4C3_cI40_220_a_c_b:Au-Bi-Ce +mp-861888,CeBiAu2,-4.67384191,-0.5935063388,0.0,-0.0079308631,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Ce,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Ce +mp-1227296,BiSbPt2,-5.4195272075,-0.391587955,0.012913395,0.012913395,GGA,P-6m2,AB2C_hP4_187_a_i_d:Bi-Pt-Sb,4.0,AB2C_hP4_187_a_i_d:Bi-Pt-Sb +mp-1227418,Bi3SbPt2,-4.9793373517,-0.3472148067,0.0087462558,0.0087462558,GGA,P2_1,A3B2C_mP12_4_3a_2a_a:Bi-Pt-Sb,12.0,A3B2C_mP12_4_3a_2a_a:Bi-Pt-Sb +mp-1227441,BiSbPt,-5.1118457383,-0.4316378417,0.0,-0.0405209092,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Pt-Sb,12.0,ABC_cP12_198_a_a_a:Bi-Pt-Sb +mp-30945,Ga2PdBr8,-3.3132501527,-1.1623137441,0.0,-0.0117696336,GGA,C2/m,A8B2C_mC22_12_2ij_i_a:Br-Ga-Pd,11.0,"Invalid WP multiplicities - A8B2C_mC22_12_3i2j_i_a:Br-Ga-Pd, expected Ga2PdBr14 to be Ga2PdBr8" +mp-570187,Tb5BiAu2,-4.5259057975,-0.3308953437,0.367445026,0.367445026,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Tb,16.0,"Invalid WP multiplicities - A2BC5_tI32_140_h_a_2c2l:Au-Bi-Tb, expected Tb10BiAu2 to be Tb5BiAu2" +mp-1179009,Tb5BiAu2,-4.8865914731,-0.6915810194,0.0067593504,0.0067593504,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Tb,16.0,A2BC5_tI32_140_h_a_cl:Au-Bi-Tb +mp-1080424,ScAgGe,-5.1592299,-0.5632122456,0.0,-0.0113486939,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Sc,9.0,ABC_hP9_189_f_bc_g:Ag-Ge-Sc +mp-862949,NaPmTl2,-2.96360788,-0.2640194027,0.0,-0.0455213438,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Pm-Tl +mp-862485,GaCuRh2,-5.837016695,-0.3730370869,0.0,-0.03305731,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Rh +mp-1105654,TiSiOs,-8.9458922128,-0.7631663872000001,0.0,-0.1198164186,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Os-Si-Ti,18.0,ABC_oI36_46_ac_bc_3b:Os-Si-Ti +mp-865680,TiSiOs2,-9.5422395575,-0.5983533308,0.0,-0.0259785404,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Si-Ti,4.0,A2BC_cF16_225_c_a_b:Os-Si-Ti +mp-1219747,PrSbPd,-5.2159019967,-0.5193057283,0.5571841933,0.4932564908,GGA,P-3m1,ABC_hP6_164_d_c_d:Pd-Pr-Sb,6.0,ABC_hP6_164_d_c_d:Pd-Pr-Sb +mp-1024964,PrSbPd,-5.77308619,-1.0764899217,0.0,-0.0639277025,GGA,P6_3mc,ABC_hP6_186_b_a_b:Pd-Pr-Sb,6.0,ABC_hP6_186_b_a_b:Pd-Pr-Sb +mp-1018899,PrSbPd,-5.765547965,-1.0689516967,0.007538225,-0.0563894775,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Pd-Pr-Sb,6.0,ABC_hP6_194_c_a_d:Pd-Pr-Sb +mp-1207360,Pr2Sb3Pd,-2.2489275,2.2725220067,3.3314743742,3.3314743742,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Pd-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Pd-Pr-Sb +mp-1209782,Pr2Sb3Pd,-2.238605045,2.2828444617,3.3417968292,3.3417968292,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Pd-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Pd-Pr-Sb +mp-542566,Pr3Sb5Pd6,-5.6061562736,-0.8870838218,0.0,-0.0165063861,GGA,Pmmn,A6B3C5_oP28_59_2b2e_ae_a2e:Pd-Pr-Sb,28.0,A6B3C5_oP28_59_2b2e_ae_a2e:Pd-Pr-Sb +mp-20532,PrSb2Pd,-5.5025090212,-0.94781151,0.0,-0.0384114387,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Pd-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Pd-Pr-Sb +mp-1179844,PrSb2Pd,-5.1212698938,-0.5665723825,0.3812391275,0.3428276888,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Pd-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Pd-Pr-Sb +mp-1197860,Nd3Sn13Ir4,-5.5941129585,-0.5049823019,0.0,-0.0435426445,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ir-Nd-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Ir-Nd-Sn +mp-1220633,Nd4Sn8Ir,-5.2347147085,-0.6202840354,0.0212326114,0.0212326114,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Ir-Nd-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Ir-Nd-Sn +mp-1205749,NdSnIr,-6.6572168689,-0.7851657131,0.0,-0.1076949295,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-Nd-Sn,9.0,ABC_hP9_189_ad_f_g:Ir-Nd-Sn +mp-1220122,Ni4GePt5,-5.878466201,-0.0685420835,0.121230607,0.121230607,GGA,P4/mmm,AB4C5_tP10_123_a_2g_d2h:Ge-Ni-Pt,10.0,"Invalid WP multiplicities - AB4C5_tP10_123_a_3g_d4h:Ge-Ni-Pt, expected Ni6GePt9 to be Ni4GePt5" +mp-29752,NiGePt2,-5.9681156325,-0.3317578387,0.0,-0.028218765,GGA,Fmmm,ABC2_oF32_69_g_h_fi:Ge-Ni-Pt,8.0,"Invalid WP multiplicities - ABC2_oF32_69_g_h_2f2i:Ge-Ni-Pt, expected NiGePt4 to be NiGePt2" +mp-605735,Sr3In4Pb,-2.9312551412000003,-0.4577723475,0.0137409031,0.0137409031,GGA,Cmcm,A4BC3_oC32_63_2f_c_cf:In-Pb-Sr,16.0,"Invalid WP multiplicities - A4BC3_oC32_63_5f_c_c2f:In-Pb-Sr, expected Sr5In10Pb to be Sr3In4Pb" +mp-1095866,Sr2InPb,-1.2833885125,1.1774409142,1.6839788763,1.6839788763,GGA,Immm,ABC2_oI8_71_a_b_e:In-Pb-Sr,4.0,ABC2_oI8_71_a_b_e:In-Pb-Sr +mp-642281,Sr21In8Pb7,-2.8083130453000003,-0.4893863272,0.0048654563,0.0048654563,GGA,Fm-3m,A8B7C21_cF144_225_f_ae_bfh:In-Pb-Sr,36.0,"Invalid WP multiplicities - A8B7C21_cF144_225_f_ae_b6f6h:In-Pb-Sr, expected Sr121In8Pb7 to be Sr21In8Pb7" +mp-1211602,Li(LuGe)4,-5.0624961639,-0.7864032343,0.0,-0.0303400832,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Lu,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Lu +mp-1205878,LiLuGe,-4.3753294556,-0.6910290417,0.0,-0.0762686208,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Lu,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Lu +mp-3440,Li2(LuGe)3,-4.5467924531,-0.6405698458,0.0862245181,0.0862245181,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Li-Lu,16.0,"Invalid WP multiplicities - A3B2C3_oC32_63_2c2f_f_cf:Ge-Li-Lu, expected Li2(LuGe2)3 to be Li2(LuGe)3" +mp-1224466,HfAlCr,-8.0310029975,-0.2457322208,0.0270593492,0.0270593492,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cr-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cr-Hf, expected Hf3(AlCr)2 to be HfAlCr" +mp-1226499,CeLuAl4,-4.6734190017,-0.4340285025,0.0392126358,0.0392126358,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Lu,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Lu +mp-862976,PmZn2Au,-3.095087045,-0.4591091594,0.0023909762,0.0023909762,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Au-Pm-Zn +mp-862974,PmZnAu2,-3.7413171175,-0.6018046344,0.0,-0.0424677613,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Pm-Zn +mp-1100769,SrEuHg2,-3.67707911,-0.5386151142,0.0035667625,0.0035667625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Sr +mp-1227017,Ca4ZnAg3,-2.5342202575,-0.311743865,0.0057224448,0.0057224448,GGA,Pmm2,A3B4C_oP8_25_abc_abcd_d:Ag-Ca-Zn,8.0,A3B4C_oP8_25_abc_abcd_d:Ag-Ca-Zn +mp-1227685,Ca2Zn3Ag,-2.0781451717,-0.3076474061,0.00259542,0.00259542,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Ag-Ca-Zn,6.0,AB2C3_mC12_8_a_2a_3a:Ag-Ca-Zn +mp-1227020,CaZnAg,-2.3502130383,-0.3175798739,0.0,-0.0133023839,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ca-Zn,6.0,ABC_mC12_12_i_i_i:Ag-Ca-Zn +mp-1096168,Ca2ZnAg,-0.8907095675000001,1.1351652758,1.4328971422,1.4328971422,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Zn +mp-2560,Ti3Hg,-6.0293023125,-0.0317632087,0.0709882413,-0.0271407267,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Ti,4.0,AB3_cP4_221_a_c:Hg-Ti +mp-2354,Ti3Hg,-6.1002905537,-0.10275145,0.0,-0.0981289679,GGA,Pm-3n,AB3_cP8_223_a_c:Hg-Ti,8.0,AB3_cP8_223_a_c:Hg-Ti +mp-11300,TiCdHg2,-2.3016057775,0.0548298492,0.0890803325,0.0890803325,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Cd-Hg-Ti,4.0,AB2C_tP4_123_a_e_c:Cd-Hg-Ti +mp-1526,TiHg,-4.108831155,-0.0092449642,0.0592560025,0.0592560025,GGA,P4/mmm,AB_tP2_123_a_d:Hg-Ti,2.0,AB_tP2_123_a_d:Hg-Ti +mp-1187007,SiPb3,-3.8055474175,0.3352673925,0.3352673925,0.3352673925,GGA,I4/mmm,A3B_tI8_139_ad_b:Pb-Si,4.0,A3B_tI8_139_ad_b:Pb-Si +mp-1187017,SiPb3,-3.7951825163,0.3456322938,0.3456322938,0.3456322938,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Si,8.0,A3B_hP8_194_h_c:Pb-Si +mp-1025218,SiPt5Pb,-6.0120298586,-0.3700824729,0.001897955,0.001897955,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:Pb-Pt-Si,7.0,AB5C_tP7_123_c_ai_b:Pb-Pt-Si +mp-1216963,TiCrAs2,-7.2656910775,-0.5489970033,0.0,-8.63613e-05,GGA,P-3m1,A2BC_hP4_164_d_a_b:As-Cr-Ti,4.0,A2BC_hP4_164_d_a_b:As-Cr-Ti +mp-1079641,TiCrAs,-7.9909982422,-0.5884456117,0.0249727678,0.0249727678,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Cr-Ti,9.0,ABC_hP9_189_ad_g_f:As-Cr-Ti +mp-861946,Er2MgAl,-3.88223284,-0.261909465,0.0,-0.0224996044,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Er-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Er-Mg +mp-1184188,Er(Mg4Al3)4,-2.6533707524,-0.0630566293,0.0180912187,0.0180912187,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Er-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b4c:Al-Er-Mg, expected ErMg49Al39 to be Er(Mg4Al3)4" +mp-1184190,Er(Mg4Al3)4,-2.6595071345,-0.0691930114,0.0119548366,0.0119548366,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Er-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-Er-Mg, expected Er(Mg5Al)12 to be Er(Mg4Al3)4" +mp-22222,HoSiIr,-7.3618472442,-1.0797935508,0.0,-0.0878786914,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ir-Si,12.0,ABC_oP12_62_c_c_c:Ho-Ir-Si +mp-1201803,Ho3Si13Ir4,-6.5372902912,-0.5557854052,0.1034484102,0.1034484102,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ho-Ir-Si,40.0,A3B4C13_cP40_223_c_e_ak:Ho-Ir-Si +mp-1079197,Ho(SiIr)2,-7.682303279,-1.060320621,0.029212673,-0.147248293,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ho-Ir-Si,10.0,AB2C2_tP10_129_c_ac_bc:Ho-Ir-Si +mp-567513,Ho(SiIr)2,-7.711515952,-1.089533294,0.0,-0.176460966,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Ir-Si +mp-1205124,Ho5(Si5Ir2)2,-6.7793308124,-0.8572802139,0.0033421524,0.0033421524,GGA,P4/mbm,A5B4C10_tP38_127_a2h_i_gij:Ho-Ir-Si,38.0,A5B4C10_tP38_127_a2h_i_gij:Ho-Ir-Si +mp-1069461,HoSi3Ir,-6.713060412,-0.7737009840000001,0.0,-0.0491679662,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ho-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Ho-Ir-Si +mp-1184505,GdPaTc2,-11.16269831,-0.0846821125,0.0,-0.0846821125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Gd-Pa-Tc +mp-1184715,GdTc3,-11.071207625,0.2183021438,0.2183021438,0.2183021438,GGA,Fm-3m,AB3_cF16_225_a_bc:Gd-Tc,4.0,AB3_cF16_225_a_bc:Gd-Tc +mp-31449,HoAgPb,-4.0979551567,-0.3887511756,0.0,-0.0570555583,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Ho-Pb,6.0,ABC_hP6_186_b_a_b:Ag-Ho-Pb +mp-1187664,TmReTc2,-9.40706372,0.0033464046,0.2062603116,0.2062603116,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Tc-Tm,4.0,AB2C_cF16_225_a_c_b:Re-Tc-Tm +mp-607223,Np3In,-9.9584198075,0.4403358859,0.4403358859,0.4403358859,GGA,Pm-3m,AB3_cP4_221_a_c:In-Np,4.0,AB3_cP4_221_a_c:In-Np +mp-647240,Np2InRh2,-8.939719768,-0.2645480015,0.0,-0.0083902176,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Np-Rh,10.0,AB2C2_tP10_127_a_h_g:In-Np-Rh +mp-977402,NpInRh2,-7.789013145,-0.1819933572,0.1423989815,0.1423989815,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Np-Rh,4.0,ABC2_cF16_225_a_b_c:In-Np-Rh +mp-21482,NpIn3,-5.2945783625,0.0061293553,0.0061293553,0.0061293553,GGA,Pm-3m,A3B_cP4_221_c_a:In-Np,4.0,A3B_cP4_221_c_a:In-Np +mp-863670,Pm2CuRh,-5.6831515475,-0.4420017512,0.0,-0.2776503412,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Pm-Rh +mp-1097409,Hf2CuMo,-5.1811896225,3.5336190875,3.7010239818,3.7010239818,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Hf-Mo,4.0,AB2C_oI8_71_a_e_b:Cu-Hf-Mo +mp-866115,Be2PdRh,-5.65636095,-0.6506070975,0.0,-0.050343725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Be-Pd-Rh +mp-1185012,LaErTl2,-3.92645945,-0.3692063979,0.0,-0.0015209693,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-La-Tl,4.0,ABC2_cF16_225_a_b_c:Er-La-Tl +mp-1093875,ZrAgAu2,-2.8173445875,1.6646605708000002,2.0959256133,2.0959256133,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Zr,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Zr +mp-1096676,ZrCu2Au,-2.7956907575,2.209308235,2.5196166226,2.5196166226,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Zr,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Zr +mp-1093581,ZrCuAu2,-3.0040732825,1.7945945425,2.225859585,2.225859585,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Zr +mp-1184533,GdHoTl2,-6.198265825,-0.3523114742,0.0,-0.0043086975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Ho-Tl,4.0,ABC2_cF16_225_a_b_c:Gd-Ho-Tl +mp-11964,Ce2CdPt2,-5.926374202,-0.94010726,0.0,-0.0401750777,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Ce-Pt,10.0,AB2C2_tP10_127_a_h_g:Cd-Ce-Pt +mp-1213872,Ce4CdPt,-5.4952240642,-0.3741607808,0.0512033387,0.0512033387,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ce-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Ce-Pt +mp-1078450,CeCdPt,-5.0858369989,-0.7767995872,0.0066231294,0.0066231294,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Ce-Pt,9.0,ABC_hP9_189_f_g_bc:Cd-Ce-Pt +mp-23406,Cs2PtCl6,-3.7684333133,-1.6625268662,0.0,-0.2800092856,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Pt,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Pt +mp-29216,Cs2PtCl4,-3.8933761143,-1.7139354423,0.0003738514,-0.0008967071,GGA,Cmcm,A4B2C_oC28_63_ef_g_a:Cl-Cs-Pt,14.0,"Invalid WP multiplicities - A4B2C_oC28_63_2e2f_g_a:Cl-Cs-Pt, expected Cs2PtCl8 to be Cs2PtCl4" +mp-1539446,Cs2PtCl4,-3.8937499657,-1.7143092937,0.0,-0.0012705586,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Cl-Cs-Pt,14.0,A4B2C_tP7_123_j_e_a:Cl-Cs-Pt +mp-977567,Hf2CuRe,-9.407013925,-0.2924859462,0.0,-0.0118676012,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Hf-Re,4.0,AB2C_cF16_225_a_c_b:Cu-Hf-Re +mp-1183118,AcLaCd2,-3.01921232,-0.2934719119,0.0,-0.0195403256,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Cd-La,4.0,AB2C_cF16_225_a_c_b:Ac-Cd-La +mp-640444,Tb5NiPb3,-4.98443194,-0.5299976744,0.0,-0.0056937253,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ni-Pb-Tb,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_2d2g:Ni-Pb-Tb, expected Tb10NiPb3 to be Tb5NiPb3" +mp-1208738,Tb12Ni6Pb,-5.3143709679,-0.3666941074,0.0,-0.0057547976,GGA,Im-3,A6BC12_cI38_204_e_a_g:Ni-Pb-Tb,19.0,A6BC12_cI38_204_e_a_g:Ni-Pb-Tb +mp-1215214,ZrNbCo4,-8.0573291117,-0.21028297,0.0270274913,0.0270274913,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Nb-Zr,6.0,A4BC_cF24_216_e_a_c:Co-Nb-Zr +mp-979965,YbSmPt2,-5.7374649675,-1.1373497038,0.0,-0.0076997476,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Sm-Yb,,A2BC_cF16_225_c_a_b:Pt-Sm-Yb +mp-1096245,MnBeRu2,-4.47919145,3.3833668593,3.5098930484,3.5098930484,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Mn-Ru,4.0,ABC2_oI8_71_a_b_e:Be-Mn-Ru +mp-1185984,MnBeRu2,-7.9767442675,-0.1141859582,0.0123402309,0.0123402309,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Mn-Ru,4.0,ABC2_cF16_225_a_b_c:Be-Mn-Ru +mp-1093914,MnBe2Ru,-3.5482711225,2.930539768,3.179605428,3.179605428,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Mn-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Mn-Ru +mp-1185985,MnBe2Ru,-6.70415542,-0.2253445295,0.0237211305,0.0237211305,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Mn-Ru,4.0,A2BC_cF16_225_c_a_b:Be-Mn-Ru +mp-1187691,YbCeCd2,-2.602966265,-0.2733470262,0.0204002431,0.0204002431,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ce-Yb,,A2BC_cF16_225_c_a_b:Cd-Ce-Yb +mp-645695,La3LuSe6,-6.3127951783,-2.2823511082,0.0,-0.0143029059,GGA,Pnnm,A3BC6_oP40_58_3g_ac_6g:La-Lu-Se,40.0,"Invalid WP multiplicities - A3BC6_oP40_58_8g_2a2c_18g:La-Lu-Se, expected La4LuSe9 to be La3LuSe6" +mp-1097194,NaSr2Cd,-0.4383206925,0.9677797975,1.1311994786,1.1311994786,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Na-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Na-Sr +mp-866197,Li2PrPb,-3.4337495025,-0.3558998629,0.0063127021,0.0063127021,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Pr,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Pr +mp-1220309,Nd2Sn4Rh,-5.37831309,-0.6727573536,0.0142547111,0.0142547111,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Nd-Rh-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:Nd-Rh-Sn +mp-1220346,Nd5Sn15Rh8,-5.7842314314,-0.6807036476,0.0,-0.0147841428,GGA,Pm,A5B8C15_mP28_6_2a3b_4a4b_8a7b:Nd-Rh-Sn,28.0,A5B8C15_mP28_6_2a3b_4a4b_8a7b:Nd-Rh-Sn +mp-669722,Nd(Sn2Rh)2,-5.7067143846,-0.6302785857000001,0.0,-0.0097981367,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Nd-Rh-Sn,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_15c:Nd-Rh-Sn, expected Nd(Sn3Rh)5 to be Nd(Sn2Rh)2" +mp-680552,Nd3Sn13Rh4,-5.3638670123,-0.5695616176,0.0,-0.0236856994,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Nd-Rh-Sn,40.0,"Invalid WP multiplicities - A3B4C13_cP40_223_c_e_2a3k:Nd-Rh-Sn, expected Nd3(Sn19Rh2)2 to be Nd3Sn13Rh4" +mp-567214,NdSnRh,-6.2313142411,-0.8506385219,0.0,-0.1556767036,GGA,P-62m,ABC_hP9_189_f_ad_g:Nd-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Nd-Rh-Sn +mp-1210166,Nd6Co2Sn,-5.4344576039,-0.2305584883,0.0288421048,0.0288421048,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Nd-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Nd-Sn +mp-1220521,Nd2CoSn4,-5.2353442414,-0.5663585157000001,0.0,-0.0188899907,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Co-Nd-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Co-Nd-Sn +mp-510232,Nd12Co6Sn,-5.64193716,-0.1747135908,0.0,-0.0209249277,GGA,Im-3,A6B12C_cI38_204_e_g_a:Co-Nd-Sn,19.0,A6B12C_cI38_204_e_g_a:Co-Nd-Sn +mp-1209874,Nd3Co6Sn5,-5.8270557671,-0.3268980284,0.064646367,0.064646367,GGA,Immm,A6B3C5_oI28_71_fm_ai_bm:Co-Nd-Sn,14.0,A6B3C5_oI28_71_fm_ai_bm:Co-Nd-Sn +mp-1210125,Nd3(Co2Sn)4,-6.0967328603,-0.2827813885,0.0502760343,0.0502760343,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Nd-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Nd-Sn +mp-1198940,Nd3Co4Sn13,-5.1092337385,-0.3661263589,0.0,-0.0225239552,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Nd-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Co-Nd-Sn +mp-981397,YbPrMg2,-2.4694706225,-0.0892020887,0.0020544125,0.0020544125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pr-Yb,,A2BC_cF16_225_c_a_b:Mg-Pr-Yb +mp-1232146,YbMgSe3,-3.959762648,-1.2342380954,0.380459576,0.380459576,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Yb,,AB3C_mC20_12_g_ij_i:Mg-Se-Yb +mp-1237340,YbMgSe3,-4.048123407,-1.3225988544,0.292098817,0.292098817,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Yb,,AB3C_mC20_12_g_ij_i:Mg-Se-Yb +mp-1232390,YbMgSe3,-3.9710874653,-1.2455629127,0.3691347587,0.3691347587,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-Se-Yb,,AB3C_hR30_148_c_f_c:Mg-Se-Yb +mp-1232212,Yb2MgSe4,-4.3723231682,-1.706159951,0.1105583218,0.1105583218,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Yb,,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Yb +mp-15804,Yb2MgSe4,-4.1408847786,-1.4747215613,0.3419967114,0.3419967114,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-Se-Yb,,AB4C2_cF56_227_a_e_d:Mg-Se-Yb +mp-1232206,Yb2MgSe4,-4.1848189211,-1.5186557038,0.2980625689,0.2980625689,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-Se-Yb,,AB4C2_oP28_62_c_4c_2c:Mg-Se-Yb +mp-1232209,Yb2MgSe4,-4.1799681896,-1.5138049724,0.3029133004,0.3029133004,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Yb,,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Yb +mp-1232225,Yb2MgSe4,-4.2182519946,-1.5520887774,0.2646294954,0.2646294954,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Yb,,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Yb +mp-1232205,Yb2MgSe4,-4.2167192154,-1.5505559981,0.2661622746,0.2661622746,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-Se-Yb,,AB4C2_tI28_122_a_e_d:Mg-Se-Yb +mp-13380,HoZnRh,-5.1469685883,-0.7448151383,0.0,-0.078721001,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Rh-Zn,12.0,ABC_oP12_62_c_c_c:Ho-Rh-Zn +mp-864624,HoZnRh2,-5.81916655,-0.676474495,0.0,-0.0190340063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Zn +mp-1184686,Ho2ZnRh,-5.067107675,-0.61989037,0.0194196954,0.0194196954,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Rh-Zn +mp-1025315,Mn(AlTe2)2,-4.7686230586,-0.5934244121000001,0.0,-0.0035284143,GGA,I-42m,A2BC4_tI14_121_d_a_i:Al-Mn-Te,7.0,A2BC4_tI14_121_d_a_i:Al-Mn-Te +mp-1217010,TiBe4Nb,-5.66044483,-0.1680367439,0.037603626,0.037603626,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Nb-Ti,6.0,A4BC_cF24_216_e_a_c:Be-Nb-Ti +mp-15293,TmTiGe,-6.3629019767,-0.6981168783,0.0,-0.0230470086,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Ti-Tm,6.0,ABC_tP6_129_c_a_c:Ge-Ti-Tm +mp-1207048,Tm2TiGe2,-4.632343284,0.5863004307,1.3681620799,1.3681620799,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ge-Ti-Tm,5.0,A2BC2_tP5_123_g_a_g:Ge-Ti-Tm +mp-19875,GdSiRu,-10.4114407233,-0.81949312,0.0,-0.0887121017,GGA,P4/nmm,ABC_tP6_129_c_a_c:Gd-Ru-Si,6.0,ABC_tP6_129_c_a_c:Gd-Ru-Si +mp-569302,Gd(SiRu)2,-9.572049898,-0.876937222,0.0,-0.1397997215,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Ru-Si +mp-865608,LuPaOs2,-9.4215466475,-0.2989591375,0.0,-0.0070778769,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Os-Pa,4.0,AB2C_cF16_225_a_c_b:Lu-Os-Pa +mp-1093893,ZrTaTc2,-6.2937629875,3.98792605,4.4294358,4.3548472778,GGA,Immm,AB2C_oI8_71_a_e_b:Ta-Tc-Zr,4.0,AB2C_oI8_71_a_e_b:Ta-Tc-Zr +mp-1183039,ZrTaTc2,-10.7231987875,-0.44150975,0.0,-0.0745885222,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ta-Tc-Zr,4.0,AB2C_cF16_225_a_c_b:Ta-Tc-Zr +mp-1184124,Er2CuIr,-6.162712195,-0.6444425775,0.0084178597,0.0084178597,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Ir,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Ir +mp-1097565,Hf2ReRu,-6.6377465725,3.7705803737,4.3742269726,4.3742269726,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Re-Ru,4.0,A2BC_oI8_71_e_a_b:Hf-Re-Ru +mp-1184619,Hf2ReRu,-10.9791503825,-0.5708234363,0.0328231626,0.0328231626,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Re-Ru,4.0,A2BC_cF16_225_c_a_b:Hf-Re-Ru +mp-983555,Er2PdAu,-5.2995030025,-0.902202645,0.0132059088,0.0132059088,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Er-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Er-Pd +mp-975793,PrTmTl2,-3.8312385475,-0.3357316796,0.0105001348,0.0105001348,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pr-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Pr-Tl-Tm +mp-1211059,LiSm2Br5,-4.2868690681,-1.8979644698,0.1441205135,0.1441205135,GGA,C2/c,A5BC2_mC32_15_e2f_c_f:Br-Li-Sm,16.0,A5BC2_mC32_15_e2f_a_f:Br-Li-Sm +mp-1186806,PuAgAu2,-5.71800888,0.1940307033,0.4397546958,0.4397546958,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Pu,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Pu +mp-1186802,PuAg3,-5.609148155,0.08222843,0.08222843,0.08222843,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Pu,4.0,A3B_cF16_225_ac_b:Ag-Pu +mp-867978,SmInRh2,-6.20722763,-0.6575062288,0.0,-0.0242131354,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:In-Rh-Sm +mp-1206468,SmIn5Rh,-4.1254915143,-0.4338754207,0.0,-0.031111105,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Rh-Sm,7.0,A5BC_tP7_123_ci_b_a:In-Rh-Sm +mp-20789,SmInRh,-5.6669608222,-0.7221015772,0.0,-0.0755609347,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Rh-Sm,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Rh-Sm, expected Sm3In3Rh5 to be SmInRh" +mp-20666,SmIn2Rh,-5.0022276887,-0.6056623225000001,0.0,-0.0096596887,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Rh-Sm,8.0,A2BC_oC16_63_f_c_c:In-Rh-Sm +mp-1096173,MnInPt2,-4.267103485,1.7468879305,2.155754205,2.155754205,GGA,Immm,ABC2_oI8_71_a_b_e:In-Mn-Pt,4.0,ABC2_oI8_71_a_b_e:In-Mn-Pt +mp-865158,YbNdHg2,-2.30443504,-0.5756559294,0.0,-0.01899965,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Nd-Yb,,A2BC_cF16_225_c_a_b:Hg-Nd-Yb +mp-1187965,Yb2TlIn,-2.5341079225,-0.4857220633,0.006656645,0.006656645,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Tl-Yb,,ABC2_cF16_225_a_b_c:In-Tl-Yb +mp-1203492,Nd3Ge13Os4,-6.2945407635,-0.3288770569,0.0190368327,0.0190368327,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Os,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Os +mp-1095915,NaAg2Pb,-1.492491455,1.1825796375,1.2754522156,1.2754522156,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Na-Pb,4.0,A2BC_oI8_71_e_a_b:Ag-Na-Pb +mp-1095757,SnPd2Au,-2.98242052,1.4283838488,1.8338894587,1.8338894587,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Au-Pd-Sn +mp-1219001,Sn2Pd2Au,-4.722738048,-0.392180182,0.033271933,0.033271933,GGA,P3m1,AB2C2_hP5_156_a_ab_bc:Au-Pd-Sn,5.0,AB2C2_hP5_156_a_ab_bc:Au-Pd-Sn +mp-1218970,Sn2PdAu,-4.468844425,-0.350617545,0.0074376006,0.0074376006,GGA,P-3m1,ABC2_hP4_164_a_b_d:Au-Pd-Sn,4.0,ABC2_hP4_164_a_b_d:Au-Pd-Sn +mp-1219015,Sn2Pd3Au,-4.8876827267,-0.41557087,0.0320379179,0.0320379179,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Au-Pd-Sn,6.0,AB3C2_hP6_164_a_bd_d:Au-Pd-Sn +mp-1220222,NdAgSn,-4.219099435,-0.3490076714,0.2730562467,0.2108650969,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Nd-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Nd-Sn +mp-4808,NdAgSn,-4.4921556817,-0.6220639181000001,0.0,-0.0621911498,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Nd-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Nd-Sn +mp-1102578,Nd3(AgSn)4,-4.3417524264,-0.5533020872000001,0.0,-0.036602678,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Nd-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Ag-Nd-Sn +mp-1205981,TbBiRh,-6.04295697,-0.7632359367,0.0,-0.0650348095,GGA,P-62m,ABC_hP9_189_f_bc_g:Bi-Rh-Tb,9.0,ABC_hP9_189_f_bc_g:Bi-Rh-Tb +mp-1096180,LiZrPd2,-3.5695518525,1.6345449267,2.2279735306,2.2279735306,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pd-Zr,4.0,AB2C_oI8_71_a_e_b:Li-Pd-Zr +mp-1185423,LiZrPd2,-5.78365946,-0.5795626808000001,0.0138659231,0.0138659231,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Zr +mp-981312,ZrCu2Hg,-4.38077981,-0.1183312262,0.0238989051,0.0238989051,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Hg-Zr,4.0,A2BC_cF16_225_c_a_b:Cu-Hg-Zr +mp-30583,ZrCuHg2,-3.2714821175,0.04208489,0.1556323076,0.1556323076,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cu-Hg-Zr,4.0,AB2C_cF16_216_a_bc_d:Cu-Hg-Zr +mp-1186931,PuInHg2,-4.585857485,-0.1791367875,0.0,-0.0207976067,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Pu,4.0,A2BC_cF16_225_c_a_b:Hg-In-Pu +mp-1187456,ThMgRh2,-6.64135238,-0.70566387,0.0043392888,0.0043392888,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Th,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Th +mp-19968,CaIn2Cu,-3.2088566587,-0.3068131563,0.0117551337,0.0117551337,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ca-Cu-In,8.0,ABC2_oC16_63_c_c_f:Ca-Cu-In +mp-570769,CaInCu4,-3.6936675133,-0.167982465,0.0,-0.0007858942,GGA,F-43m,AB4C_cF24_216_a_e_c:Ca-Cu-In,6.0,AB4C_cF24_216_a_e_c:Ca-Cu-In +mp-1227648,Ca(InCu)6,-3.4195394408,-0.1033131115,0.0,-0.0009848403,GGA,Immm,AB6C6_oI26_71_a_fk_egh:Ca-Cu-In,13.0,AB6C6_oI26_71_a_fk_egh:Ca-Cu-In +mp-1227717,Ca2In3Cu,-3.0755700467,-0.3479937767,0.0251755207,0.0251755207,GGA,Cm,A2BC3_mC12_8_2a_a_3a:Ca-Cu-In,6.0,A2BC3_mC12_8_2a_a_3a:Ca-Cu-In +mp-1209162,Sm(BiSe2)2,-4.8350649364,-1.0660348928,0.121736257,0.121736257,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Bi-Se-Sm,28.0,A2B4C_oP28_62_2c_4c_c:Bi-Se-Sm +mp-10782,RbTbSe2,-5.1205075625,-1.9688267805,0.0,-0.1692308772,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-Se-Tb,4.0,AB2C_hR12_166_a_c_b:Rb-Se-Tb +mp-1186875,Rb3Tb,-1.2550194225,0.6389726569,0.6389726569,0.6389726569,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Tb,4.0,A3B_tI8_139_ad_b:Rb-Tb +mp-1186872,Rb3Tb,-1.25176948,0.6422225994,0.6422225994,0.6422225994,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Tb,4.0,A3B_cF16_225_ac_b:Rb-Tb +mp-31411,Th(Al2Cr)4,-6.04877719,-0.2033422077,0.0118203839,0.0118203839,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Th,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Th +mp-1215412,Zr2(ZnGa)3,-4.2184280075,-0.4735629878,0.0,-0.0634246792,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Ga-Zn-Zr,8.0,A3B3C2_oP8_47_aj_bgh_k:Ga-Zn-Zr +mp-1213029,DyCl2,-4.9768601133,-2.2089067267,0.2024196256,0.2024196256,GGA,Pbca,A2B_oP24_61_2c_c:Cl-Dy,24.0,A2B_oP24_61_2c_c:Cl-Dy +mp-28714,Dy(AlCl4)3,-4.5502758444,-2.1736537037,0.0,-0.0211083844,GGA,P3_112,A3B12C_hP48_151_ac_6c_b:Al-Cl-Dy,48.0,"Invalid WP multiplicities - A3B12C_hP48_151_2a2c_7c_b:Al-Cl-Dy, expected Dy(Al3Cl7)2 to be Dy(AlCl4)3" +mp-669497,Dy5Cl11,-4.9975921377,-2.2871022964,0.1995780043,0.1995780043,GGA,P2_1/m,A11B5_mP64_11_2e10f_2e4f:Cl-Dy,64.0,"Invalid WP multiplicities - A11B5_mP64_11_4e35f_4e11f:Cl-Dy, expected Dy13Cl37 to be Dy5Cl11" +mp-28448,DyCl3,-5.2508413513,-2.7127421463,0.0,-0.8830603091,GGA,Cmcm,A3B_oC16_63_cf_c:Cl-Dy,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:Cl-Dy, expected DyCl5 to be DyCl3" +mp-1213323,Dy6Cl13,-4.9921641587,-2.2726011261,0.2021811828,0.2021811828,GGA,C2/c,A13B6_mC76_15_e6f_3f:Cl-Dy,38.0,A13B6_mC76_15_e6f_3f:Cl-Dy +mp-864909,HfAlRu2,-8.818967805,-0.75607532,0.0,-0.0048799075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Ru +mp-1183819,CeNdZn2,-3.4816644725,-0.1764835206,0.09945895,0.09945895,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Nd-Zn +mp-1216906,TiInPd2,-5.8086037775,-0.5568689358000001,0.01491714,-0.0209507612,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Pd-Ti,4.0,AB2C_tP4_123_a_h_b:In-Pd-Ti +mp-866168,TiInPd2,-5.8235209175,-0.5717860758000001,0.0,-0.0358679012,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Ti,4.0,AB2C_cF16_225_a_c_b:In-Pd-Ti +mp-864925,NdMgZn2,-2.56813861,-0.3461599344,0.0,-0.0638113907,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Nd-Zn +mp-1069765,SmSi3Rh,-6.467183284,-0.7954136650000001,0.0,-0.0378038093,GGA,I4mm,AB3C_tI10_107_a_ab_a:Rh-Si-Sm,5.0,AB3C_tI10_107_a_ab_a:Rh-Si-Sm +mp-1208907,Sm2Si5Rh3,-6.838431129,-0.972762526,0.0,-0.037161115,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Rh-Si-Sm,20.0,A3B5C2_oI40_72_aj_bfj_j:Rh-Si-Sm +mp-1208977,Sm3(SiRh)2,-6.5409979111,-0.8645678818,0.0,-0.0245955979,GGA,Pbcm,A2B2C3_oP28_57_e_cd_de:Rh-Si-Sm,28.0,A2B2C3_oP28_57_e_cd_de:Rh-Si-Sm +mp-1219276,Sm6Si19Rh30,-7.3976877751,-0.9918369482,0.0,-0.0415215362,GGA,P3,A30B19C6_hP55_143_10d_a6d_2d:Rh-Si-Sm,55.0,A30B19C6_hP55_143_10d_a6d_2d:Rh-Si-Sm +mp-21780,SmSi3Rh5,-7.375988267,-0.9519794254,0.0174738806,0.0174738806,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Rh-Si-Sm,54.0,"Invalid WP multiplicities - A5B3C_hP54_176_8h_4h_h:Rh-Si-Sm, expected Sm(SiRh2)4 to be SmSi3Rh5" +mp-1025453,SmSi2Rh,-6.66099026,-0.9276077438,0.0093114819,0.0093114819,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Rh-Si-Sm,8.0,AB2C_oC16_63_c_2c_c:Rh-Si-Sm +mp-568555,SmSi2Rh3,-7.294600775,-1.0175764742,0.0,-0.0219706816,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Rh-Si-Sm,6.0,A3B2C_hP6_191_g_c_a:Rh-Si-Sm +mp-3882,Sm(SiRh)2,-7.135356744,-1.075789157,0.0,-0.088356031,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-Sm +mp-1222492,Li3ErBr6,-4.014879443,-2.053613704,0.0,-0.926901522,GGA,C2,A6BC3_mC20_5_3c_a_2ab:Br-Er-Li,10.0,"Invalid WP multiplicities - A6BC3_mC20_5_4c_a_2ab:Br-Er-Li, expected Li3ErBr8 to be Li3ErBr6" +mp-37873,Li3ErBr6,-4.0121779045,-2.0509121655,0.0027015385,-0.9241999835,GGA,C2/c,A6BC3_mC40_15_3f_c_ef:Br-Er-Li,20.0,"Invalid WP multiplicities - A6BC3_mC40_15_10f_a_2e3f:Br-Er-Li, expected Li8ErBr20 to be Li3ErBr6" +mp-862545,LiTm2Tc,-5.38336553,-0.0780573654,0.0149898285,0.0149898285,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tc-Tm,4.0,ABC2_cF16_225_a_b_c:Li-Tc-Tm +mp-974943,HfZrTc2,-10.2246307375,-0.41808885,0.0,-0.0579269722,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Tc-Zr,4.0,AB2C_cF16_225_a_c_b:Hf-Tc-Zr +mp-865279,Tm2AgOs,-6.095387055,-0.342488485,0.0056353598,0.0056353598,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Os-Tm +mp-862886,CaPmPt2,-5.7376521225,-1.0130499119,0.0,-0.3141025619,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pm-Pt,4.0,ABC2_cF16_225_a_b_c:Ca-Pm-Pt +mp-1097492,Sr2PdPt,-2.88130512,0.7761953892,1.482928485,1.482928485,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Pt-Sr,4.0,ABC2_oI8_71_a_b_e:Pd-Pt-Sr +mp-1187097,Sr2PdPt,-4.3076211875,-0.6501206783,0.0566124175,0.0566124175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Pt-Sr,4.0,ABC2_cF16_225_a_b_c:Pd-Pt-Sr +mp-865445,Lu2AgAu,-4.41843475,-0.6313499892000001,0.0,-0.0237449269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Lu +mp-1185061,LaSmIr2,-7.446262445,-0.613397045,0.09596663,0.09596663,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-La-Sm,4.0,A2BC_cF16_225_c_a_b:Ir-La-Sm +mp-980392,TmScHg2,-3.3015225225,-0.4476062079,0.008128885,0.008128885,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sc-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Sc-Tm +mp-1105827,Pr3Cu3Sb4,-5.1621514575,-0.846517234,0.0,-0.0261886275,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Pr-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Pr-Sb +mp-1207321,Pr2CuSb3,-2.0898140683,2.251522915,3.1916592317,3.1916592317,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Pr-Sb +mp-1209898,Pr2CuSb3,-2.0923246833,2.2490123,3.1891486167,3.1891486167,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Pr-Sb +mp-19848,PrCuSb2,-5.05411616,-0.7695874337,0.0,-0.058012632,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Pr-Sb +mp-973809,NdBe13,-3.9750115611,-0.1621176555,0.0,-0.1621176555,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Nd,28.0,A13B_cF112_226_bi_a:Be-Nd +mp-1220198,NdBeCu4,-4.2677264683,-0.1169953054,0.0477098312,0.0477098312,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Nd,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Nd +mp-1187628,TmZrCo2,-7.071234915,-0.2611920042,0.0054185347,0.0054185347,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Tm-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Tm-Zr +mp-861629,LiMnPd2,-5.7227489475,-0.3650735028,0.0,-0.0452475108,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Li-Mn-Pd +mp-961677,TaGaPt,-7.0341354133,-0.0484664225,0.4835447311,0.4835447311,GGA,F-43m,ABC_cF12_216_a_b_c:Ga-Pt-Ta,3.0,ABC_cF12_216_a_b_c:Ga-Pt-Ta +mp-1186627,PmPrHg2,-3.006600945,-0.4718987431,0.0,-0.1031559956,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pm-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-Pm-Pr +mp-20127,NpAsSe,-8.148924905,-1.1146550504,0.0,-0.1021505802,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Np-Se,6.0,ABC_tP6_129_a_c_c:As-Np-Se +mp-1197262,Sm4Ge9Ir13,-7.4170229717,-0.6715906804,0.0,-0.0457004896,GGA,Pmmn,A9B13C4_oP52_59_2ab3e_2ab5e_abe:Ge-Ir-Sm,52.0,A9B13C4_oP52_59_2ab3e_2ab5e_abe:Ge-Ir-Sm +mp-1079613,Sm(GeIr)2,-7.109152084,-0.780850043,0.0,-0.0476134521,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Sm +mp-1201653,Sm3Ge13Ir4,-6.0013249743,-0.5208821122,0.0139880007,0.0139880007,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Sm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Sm +mp-1206198,Sm2(GeIr)3,-5.5522592688,0.6754355281000001,1.4893106278,1.4893106278,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Sm,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Sm +mp-983234,Sm2Ge5Ir3,-6.6533131765,-0.746551768,0.0,-0.0229963966,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Sm,20.0,"Invalid WP multiplicities - A5B3C2_oI40_72_afj_b2j_j:Ge-Ir-Sm, expected Sm2(GeIr)5 to be Sm2Ge5Ir3" +mp-1105662,SmGe2Ir,-6.5087401512,-0.807971145,0.0,-0.0416152163,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-Sm,16.0,A2BC_oI32_71_efm_m_ei:Ge-Ir-Sm +mp-1208649,SmGeIr,-6.9289329175,-0.8689168608000001,0.0,-0.0937857108,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Sm +mp-1200714,Yb3Ge13Pt4,-4.9954817631,-0.5453457514,0.0,-0.0060405624,GGA,P4_2cm,A13B4C3_tP80_101_5d4e_2e_abe:Ge-Pt-Yb,,A13B4C3_tP80_101_5d4e_2e_abe:Ge-Pt-Yb +mp-22453,YbGePt,-5.09845397,-1.0205308183,0.0,-0.1231046972,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Yb,,ABC_oP12_62_c_c_c:Ge-Pt-Yb +mp-1215692,YbGe2Pt,-5.0271292594,-0.8129299319000001,0.0,-0.0430044244,GGA,Imm2,A2BC_oI32_44_2ce_e_cd:Ge-Pt-Yb,,A2BC_oI32_44_2ce_e_cd:Ge-Pt-Yb +mp-1188677,YbGe2Pt,-5.0258708494,-0.8116715219,0.00125841,-0.0417460144,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pt-Yb,,A2BC_oI32_71_efm_m_ei:Ge-Pt-Yb +mp-1207679,Yb2(GePt3)3,-5.8236777914,-0.7102135054000001,0.0,-0.0147789315,GGA,C2/c,A3B9C2_mC56_15_cf_e4f_f:Ge-Pt-Yb,,A3B9C2_mC56_15_af_e4f_f:Ge-Pt-Yb +mp-1092256,Yb2Ge6Pt,-4.5388300889,-0.4401059767,0.0934999006,0.0934999006,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Yb,,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Yb +mp-972623,SmHgAu2,-3.4831767125,-0.5906690875,0.0,-0.0023054354,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Hg-Sm +mp-1212451,Hf6Be15Co8,-6.29272782,-0.3375254229,0.0,-0.0360286474,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Co-Hf,29.0,A15B8C6_cF116_225_adf_f_e:Be-Co-Hf +mp-983123,HfMgAu2,-5.103422155,-0.577113885,0.0,-0.0023357913,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hf-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Hf-Mg +mp-1208472,Tb3Co6Sn5,-5.8163770014,-0.3448866911,0.0186444225,0.0186444225,GGA,Immm,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Tb,14.0,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Tb +mp-30911,TbCoSn2,-5.3332268425,-0.3927699413,0.0607603237,0.0607603237,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Sn-Tb,8.0,"Invalid WP multiplicities - AB2C_oC16_63_c_4c_c:Co-Sn-Tb, expected TbCoSn4 to be TbCoSn2" +mp-1201880,Tb3Co4Sn13,-5.0607924073,-0.3377522275,0.0,-0.0009151245,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Sn-Tb,40.0,A4B13C3_cP40_223_e_ak_c:Co-Sn-Tb +mp-1202451,Tb7Co6Sn23,-4.7572074469,-0.1096901654,0.3066013817,0.2915666497,GGA,C2/m,A6B23C7_mC72_12_ij_cg4i3j_aij:Co-Sn-Tb,36.0,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Tb +mp-1208387,Tb7Co6Sn23,-5.0638088286,-0.4162915471,0.0,-0.015034732,GGA,P-3m1,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Tb,36.0,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Tb +mp-1237425,Tb7Co6Sn23,-4.7735529531,-0.1260356715,0.2902558756,0.2752211436,GGA,P-3m1,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Tb,36.0,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Tb +mp-1208446,Tb6Co2Sn,-5.4331721622,-0.3184606017,0.0025269008,0.0025269008,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Tb,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Tb +mp-646450,TbCoSn,-5.7378164067,-0.48706449,0.0,-0.0014864099,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Sn-Tb,12.0,ABC_oP12_62_c_c_c:Co-Sn-Tb +mp-1208609,Tb3(Co2Sn)4,-6.0899344803,-0.302739275,0.013027925,0.013027925,GGA,P6_3mc,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Tb,30.0,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Tb +mp-1217652,Tb4CoSn8,-4.9882931677,-0.5481118573,0.0100792381,0.0100792381,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Co-Sn-Tb,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Co-Sn-Tb +mp-1097196,ZnNiAu2,-1.99704138,1.3998696925,1.5408632075000002,1.5408632075000002,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ni-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Ni-Zn +mp-1187426,ThMgHg2,-2.7086641325,-0.303289375,0.0,-0.0767872278,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Th,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Th +mp-982870,HfAlIr2,-8.770549665,-0.92564136,0.0278411175,0.0278411175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Ir,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Ir +mp-1212464,Hf6Al16Ir7,-7.079133921,-0.8190861031000001,0.0,-0.1240037957,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Ir,29.0,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Ir +mp-1224426,HfAlIr,-8.3234054658,-0.8096724525000001,0.0501128094,0.0501128094,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Hf-Ir,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Hf-Ir, expected Hf3(AlIr)2 to be HfAlIr" +mp-862888,CaPmZn2,-2.62714409,-0.3082367344,0.0,-0.0774244633,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Pm-Zn +mp-1097368,ScTiTc2,-5.4875586875,3.2497510654,3.6124222028,3.6124222028,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Sc-Tc-Ti +mp-1186811,Pu3Mg,-10.8880604437,0.2128883162,0.2128883162,0.2128883162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Pu,8.0,AB3_hP8_194_c_h:Mg-Pu +mp-1186845,Pu(Mg4Al3)4,-2.97212131,-0.0473203069,0.0161505237,0.0161505237,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pu,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Pu, expected PuMg49Al39 to be Pu(Mg4Al3)4" +mp-1186807,PuMg,-7.80813928,0.12591991,0.12591991,0.12591991,GGA,Pmma,AB_oP4_51_e_f:Mg-Pu,4.0,AB_oP4_51_e_f:Mg-Pu +mp-1186808,PuMg3,-4.6416149175,0.1255547025,0.1255547025,0.1255547025,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Pu,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Pu, expected PuMg5 to be PuMg3" +mp-21152,Pu2Mg,-9.35303535,0.6922835533,0.6922835533,0.6922835533,GGA,Fm-3m,AB2_cF12_225_a_c:Mg-Pu,3.0,AB2_cF12_225_a_c:Mg-Pu +mp-1222375,Lu(MnAl)6,-6.5554140631,-0.2502988898,0.0285619649,0.0285619649,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Lu-Mn,13.0,A6BC6_oI26_71_efg_a_hk:Al-Lu-Mn +mp-1103523,Lu(MnAl2)4,-5.8099224854,-0.3381056909,0.0,-0.0158035823,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Lu-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-Lu-Mn +mp-1186253,Nd2MgCd,-3.215059965,-0.2001937962,0.013470685,0.013470685,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Nd,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Nd +mp-866065,NdMgCd2,-2.38751197,-0.3339602194,0.0,-0.0731014822,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Nd,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Nd +mp-1224549,GdZnSi,-7.52578608,-0.6053914533,0.0,-0.0550668637,GGA,P-6m2,ABC_hP3_187_b_c_e:Gd-Si-Zn,3.0,ABC_hP3_187_b_c_e:Gd-Si-Zn +mp-540747,Nb3SiNi2,-8.2767857879,-0.3952013696,0.0352408542,0.0352408542,GGA,Fd-3m,A3B2C_cF96_227_f_e_c:Nb-Ni-Si,24.0,A3B2C_cF96_227_f_e_c:Nb-Ni-Si +mp-1220646,Nb3SiNi8,-7.0135325533,-0.1826720042,0.2094000688,0.2094000688,GGA,P3m1,A3B8C_hP12_156_a2b_2c2d_a:Nb-Ni-Si,12.0,A3B8C_hP12_156_a2b_2c2d_a:Nb-Ni-Si +mp-1102658,NbSiNi,-7.8000462633,-0.6977930133,0.0,-0.0932821356,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-Ni-Si,12.0,ABC_oP12_62_c_c_c:Nb-Ni-Si +mp-22396,Nb4SiNi,-8.9621226992,-0.3603435542,0.0041528253,0.0041528253,GGA,P4/mcc,A4BC_tP12_124_m_a_c:Nb-Ni-Si,12.0,A4BC_tP12_124_m_a_c:Nb-Ni-Si +mp-1220732,Nb2SiNi3,-7.614883615,-0.4534939233,0.0292267479,0.0292267479,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Nb-Ni-Si,12.0,A2B3C_hP12_194_f_h_a:Nb-Ni-Si +mp-1193423,Nb4Si7Ni4,-7.373502789,-0.606636583,0.0,-0.0143279743,GGA,I4/mmm,A4B4C7_tI60_139_hi_k_ehij:Nb-Ni-Si,30.0,A4B4C7_tI60_139_hi_k_ehij:Nb-Ni-Si +mp-1193485,Nb4Si7Ni4,-6.4900435313,0.2768226747,0.8834592577,0.8691312834,GGA,I4/mmm,A4B4C7_tI60_139_l_k_ehij:Nb-Ni-Si,30.0,A4B4C7_tI60_139_l_k_ehij:Nb-Ni-Si +mp-3640,Nb6Si7Ni16,-7.1654087159,-0.5768830838,0.0,-0.0423803075,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Nb-Ni-Si,29.0,"Invalid WP multiplicities - A6B16C7_cF116_225_e_3f_ad:Nb-Ni-Si, expected Nb6Si7Ni24 to be Nb6Si7Ni16" +mp-1212840,Er4OsBr4,-5.5302519322,-1.5624346,0.0,-1.2272288469,GGA,C2/c,A4B4C_mC36_15_2f_2f_e:Br-Er-Os,18.0,A4B4C_mC36_15_2f_2f_e:Br-Er-Os +mp-1097650,Zr2TcAu,-4.8837932775,2.7986872738,3.1971535616,3.1971535616,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Au-Tc-Zr +mp-1184080,DyTmAg2,-4.0236038,-0.3366702325,0.00611305,0.00611305,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-Tm +mp-1183757,CeSmTl2,-4.148034825,-0.3037944292,0.0163737125,0.0163737125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Ce-Sm-Tl +mp-1225611,Er2PtAu,-5.7208724787000005,-1.1007592437,0.0036056956,0.0036056956,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Au-Er-Pt,8.0,AB2C_oP8_26_a_ab_b:Au-Er-Pt +mp-1189588,Eu5CdCu2,-7.7293898944,-0.1786008819,0.0,-0.0076420325,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Cd-Cu-Eu,16.0,AB2C5_tI32_140_a_h_cl:Cd-Cu-Eu +mp-1206744,TmBiPd,-5.42807887,-0.9293434156,0.0,-0.157368014,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Tm,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Tm +mp-972400,TmBiPd2,-5.423956305,-0.7549342617,0.0762810312,0.0762810312,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Tm +mp-1207987,Tm5BiPd2,-5.2854006387,-0.7129719054,0.0,-0.026171504,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pd-Tm,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pd-Tm +mp-1187833,YbGdAg2,-4.4416411175,0.8785695142000001,1.2404971025,1.2404971025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Gd-Yb,,A2BC_cF16_225_c_a_b:Ag-Gd-Yb +mp-1186570,PrDyIn2,-4.1908338225,-0.4680688088,0.00026226,0.00026226,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Pr,4.0,AB2C_cF16_225_a_c_b:Dy-In-Pr +mp-1217844,Tb(CrFe5)2,-8.3490080062,0.0079668508,0.0247043718,0.0247043718,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Tb,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Tb +mp-961703,NaLiPt,-2.87714721,0.2237132834,0.6286753445000001,0.6286753445000001,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Na-Pt,3.0,ABC_cF12_216_a_c_b:Li-Na-Pt +mp-1221759,Mn4Hg3Au,-4.8519164425,0.2522065904,0.2729551709,0.2729551709,GGA,Pmm2,AB3C4_oP8_25_a_a2b_2c2d:Au-Hg-Mn,8.0,AB3C4_oP8_25_a_a2b_2c2d:Au-Hg-Mn +mp-1221746,Mn4Hg3Au,-4.8553687375,0.2487542954,0.2695028759,0.2695028759,GGA,P4/mmm,AB3C4_tP8_123_a_bg_2h:Au-Hg-Mn,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2g_3h:Au-Hg-Mn, expected Mn6Hg5Au to be Mn4Hg3Au" +mp-974708,NdTmTl2,-3.829006165,-0.3366888777,0.005064154,0.005064154,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nd-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Nd-Tl-Tm +mp-865811,LaYbAg2,-3.4101816175,-0.3749997696,0.0,-0.0403377625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-La-Yb,,A2BC_cF16_225_c_a_b:Ag-La-Yb +mp-1211458,LaSbRh,-6.5479449133,-1.071506175,0.0,-0.1049984931,GGA,Pnma,ABC_oP12_62_c_c_c:La-Rh-Sb,12.0,ABC_oP12_62_c_c_c:La-Rh-Sb +mp-1101950,SbPtSe,-5.2133795625,-0.6480308833,0.0,-0.0575993404,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-Sb-Se,12.0,ABC_cP12_198_a_a_a:Pt-Sb-Se +mp-1201534,Ce3Ge13Os4,-6.4934999792,-0.3530950142,0.0,-0.0292610315,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Os,40.0,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Os +mp-5142,Sn3Te3Ir2,-5.3013926931,-0.4094549925,0.0452600312,0.0452600312,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Ir-Sn-Te,32.0,"Invalid WP multiplicities - A2B3C3_hR96_148_cf_2f_3f:Ir-Sn-Te, expected Sn6Te9Ir4 to be Sn3Te3Ir2" +mp-1095507,SbIrSe,-6.1713450175,-0.6835627183,0.0,-0.1007915129,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-Sb-Se,12.0,ABC_cP12_198_a_a_a:Ir-Sb-Se +mp-1224878,Ga2Ni5Te4,-4.7144821255,-0.3935640329,0.0572958656,0.0572958656,GGA,P-3m1,A2B5C4_hP11_164_d_a2c_2d:Ga-Ni-Te,11.0,A2B5C4_hP11_164_d_a2c_2d:Ga-Ni-Te +mp-1103017,NiBiSe,-4.7738467908,-0.4016676949,0.0243401683,0.0243401683,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Ni-Se,12.0,ABC_cP12_198_a_a_a:Bi-Ni-Se +mp-30973,Ni3(BiSe)2,-4.9548535871,-0.3815376935,0.0,-0.0347788559,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Ni-Se,14.0,A2B3C2_mC28_12_2i_ehi_j:Bi-Ni-Se +mp-1079709,YbSnIr,-5.4669801289,-0.6711086906,0.0,-0.0800026508,GGA,P-62m,ABC_hP9_189_ad_g_f:Ir-Sn-Yb,,ABC_hP9_189_ad_g_f:Ir-Sn-Yb +mp-1205086,Yb3Sn13Ir4,-5.0696322688,-0.464782485,0.0,-0.0452878234,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Ir-Sn-Yb,,A4B13C3_cP40_223_e_ak_c:Ir-Sn-Yb +mp-1101824,PrGaPt,-5.6295595825,-1.0028478833,0.0,-0.1056587108,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pr-Pt,12.0,ABC_oP12_62_c_c_c:Ga-Pr-Pt +mp-1219973,PrGa3Pt,-4.71320457,-0.7259391415,0.0,-0.0155243508,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-Pr-Pt,5.0,A3BC_tI10_119_af_c_b:Ga-Pr-Pt +mp-865112,NaPrTl2,-2.9773271,-0.2701477646,0.0120186527,0.0120186527,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Pr-Tl +mp-1183048,ZrSnRu2,-8.3619744075,-0.5854550163000001,0.0,-0.1815854664,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Zr +mp-1185048,LaErMg2,-3.254222515,-0.0781510112,0.0156575288,0.0156575288,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-La-Mg,4.0,ABC2_cF16_225_a_b_c:Er-La-Mg +mp-978543,SmErTl2,-3.846233405,-0.3433355954,0.0023725725,0.0023725725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Sm-Tl +mp-1208849,SmZnGe,-4.2272377375,-0.6934518708,0.0,-0.0716853897,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Sm-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Sm-Zn +mp-11668,Sm2(Zn2Ge)3,-3.2148917036,-0.409008295,0.0,-0.0105896422,GGA,P-62m,A3B2C6_hP11_189_f_d_fg:Ge-Sm-Zn,11.0,"Invalid WP multiplicities - A3B2C6_hP11_189_f_d_2f2g:Ge-Sm-Zn, expected Sm2(Zn4Ge)3 to be Sm2(Zn2Ge)3" +mp-1183799,DyHoZn2,-3.2740348325,-0.3468641,0.0017645225,0.0017645225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-Zn +mp-1188590,TaReSi,-10.3869350894,-0.4777274744,0.0,-0.0832897398,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Re-Si-Ta,18.0,ABC_oI36_46_ac_bc_3b:Re-Si-Ta +mp-1079158,TaReSi,-10.36708054,-0.457872925,0.0198545494,-0.0634351903,GGA,P-62m,ABC_hP9_189_f_bc_g:Re-Si-Ta,9.0,ABC_hP9_189_f_bc_g:Re-Si-Ta +mp-866155,TiAlRu2,-8.31294434,-0.7654761083,0.0,-0.04718481,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ru-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Ru-Ti +mp-1193118,Ti6Al16Ru7,-6.4798113576,-0.5410878003,0.0814403611,0.0814403611,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Ti +mp-1095749,ZnSiRu2,-3.7212793775,2.5871873025000003,2.944495949,2.944495949,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Si-Zn,4.0,A2BC_oI8_71_e_a_b:Ru-Si-Zn +mp-1216602,Tl2Pd9Pb,-4.8267370017,-0.2386645306,0.0098566292,0.0098566292,GGA,I4mm,AB9C2_tI24_107_a_3a3b_2a:Pb-Pd-Tl,12.0,AB9C2_tI24_107_a_3a3b_2a:Pb-Pd-Tl +mp-1216566,TlPdPb,-3.9194468133,-0.1677228044,0.0064353874,0.0064353874,GGA,Fmmm,ABC_oF24_69_g_f_h:Pb-Pd-Tl,6.0,ABC_oF24_69_g_f_h:Pb-Pd-Tl +mp-1216677,Tl4Pd15Pb,-4.754496034,-0.2114236937,0.0268151805,0.0268151805,GGA,P4/mmm,AB15C4_tP20_123_a_ce2h2i_2g:Pb-Pd-Tl,20.0,"Invalid WP multiplicities - AB15C4_tP20_123_a_c2e3h7i_3g:Pb-Pd-Tl, expected Tl6Pd39Pb to be Tl4Pd15Pb" +mp-28233,MnCl2,-5.781378,-1.4950151293,0.0,-1.4950151293,GGA,R-3m,A2B_hR9_166_c_a:Cl-Mn,3.0,A2B_hR9_166_c_a:Cl-Mn +mp-30528,MnTlCl3,-4.8315689475,-1.4175152638,0.0243922365,0.0090946705,GGA,Pnma,A3BC_oP20_62_cd_a_c:Cl-Mn-Tl,20.0,A3BC_oP20_62_cd_a_c:Cl-Mn-Tl +mp-570300,MnTlCl3,-4.855961184,-1.4419075003,0.0,-0.015297566,GGA,Pnma,A3BC_oP20_62_3c_c_c:Cl-Mn-Tl,20.0,"Invalid WP multiplicities - A3BC_oP20_62_11c_c_c:Cl-Mn-Tl, expected MnTlCl11 to be MnTlCl3" +mp-570290,MnTlCl3,-4.826653406,-1.4125997223,0.029307778,0.014010212,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Mn-Tl,5.0,A3BC_cP5_221_c_b_a:Cl-Mn-Tl +mp-862823,PaInCu2,-5.1915953975,-0.075404965,0.0,-0.0367288133,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Pa,4.0,A2BC_cF16_225_c_a_b:Cu-In-Pa +mp-1224492,HfInPd2,-6.41801101,-0.6508519150000001,0.0379385175,0.018700672,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Hf-In-Pd,4.0,ABC2_tP4_123_a_b_h:Hf-In-Pd +mp-864734,HfInPd2,-6.4559495275,-0.6887904325,0.0,-0.0192378455,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-In-Pd,4.0,ABC2_cF16_225_a_b_c:Hf-In-Pd +mp-1079822,Hf2InPd2,-7.240223938,-0.635058856,0.009994817,-0.0491743118,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Hf-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Hf-In-Pd +mp-1212691,Hf2InPd2,-7.250218755,-0.645053673,0.0,-0.0591691288,GGA,P4_2/mnm,A2BC2_tP20_136_fg_d_j:Hf-In-Pd,20.0,A2BC2_tP20_136_fg_d_j:Hf-In-Pd +mp-978529,SmTmHg2,-2.917844715,-0.4673991429,0.0,-0.0713061331,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sm-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Sm-Tm +mp-1196375,Gd(Cd10Ni)2,-1.7718149252000002,0.1453238052,0.2075898639,0.2075898639,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Cd-Gd-Ni,46.0,A20BC2_cF184_227_cfg_a_d:Cd-Gd-Ni +mp-1185134,LaYbCu2,-3.892531885,-0.2240247038,0.0050042087,0.0050042087,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-La-Yb,,A2BC_cF16_225_c_a_b:Cu-La-Yb +mp-1207817,Tm2SnAu2,-4.516682909,-0.6148815687,0.248168016,0.248168016,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Au-Sn-Tm,10.0,A2BC2_tP10_127_h_a_g:Au-Sn-Tm +mp-1188107,Tm2SnAu2,-4.736685184,-0.8348838437,0.028165741,0.028165741,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-Sn-Tm,20.0,A2BC2_tP20_136_j_d_fg:Au-Sn-Tm +mp-16741,TmSnAu,-4.701112535,-0.7813494422,0.0537082783,-0.0670154508,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Sn-Tm,6.0,ABC_hP6_186_b_b_a:Au-Sn-Tm +mp-3462,TmSnAu,-4.7548208133,-0.8350577206,0.0,-0.1207237292,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Sn-Tm,3.0,ABC_cF12_216_c_a_b:Au-Sn-Tm +mp-1104851,GdGa3Ru,-7.069083892,-0.5821213225,0.0,-0.0637771337,GGA,Pm-3m,A3BC_cP15_221_ag_d_c:Ga-Gd-Ru,15.0,A3BC_cP15_221_ag_d_c:Ga-Gd-Ru +mp-1207187,Tb2In8Co,-3.7917620973,-0.3017148395,0.0070967589,0.0070967589,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Tb,11.0,AB8C2_tP11_123_a_ehi_g:Co-In-Tb +mp-1078338,TbIn5Co,-3.5651934743,0.077821175,0.3229711812,0.3229711812,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Co-In-Tb,7.0,AB5C_tP7_123_a_ci_b:Co-In-Tb +mp-1206209,TbIn5Co,-3.8839584371,-0.2409437879,0.0042062183,0.0042062183,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Tb,7.0,AB5C_tP7_123_b_ci_a:Co-In-Tb +mp-20346,TbInCo2,-5.6502822325,-0.2496108775,0.0096347954,0.0096347954,GGA,Pmma,A2BC_oP8_51_af_e_f:Co-In-Tb,8.0,A2BC_oP8_51_af_e_f:Co-In-Tb +mp-1208520,Tb6InCo2,-5.2252950461,-0.2503488328,0.0,-0.0305558943,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Tb,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-In-Tb +mp-1018770,Li3PrBi2,-3.740909805,-0.7094677025,0.0,-0.0225922767,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Bi-Li-Pr,6.0,A2B3C_hP6_164_d_ad_b:Bi-Li-Pr +mp-1093940,BaCaCd2,-0.3709203675,1.0716682175,1.4126051,1.4126051,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Cd,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Cd +mp-22032,TbInIr,-6.1101166833,-0.7019553467,0.0,-0.0640480562,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ir-Tb,9.0,ABC_hP9_189_f_bc_g:In-Ir-Tb +mp-604378,Tb4InIr,-5.5955974904,-0.5743337721,0.0,-0.0393461499,GGA,F-43m,ABC4_cF96_216_e_e_efg:In-Ir-Tb,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e3f5g:In-Ir-Tb, expected Tb16InIr to be Tb4InIr" +mp-1188083,PuInAu2,-6.3117435425,-0.4199220275,0.0,-0.0975424,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Pu,4.0,A2BC_cF16_225_c_a_b:Au-In-Pu +mp-861617,LaHgAu2,-3.57045163,-0.6235887625000001,0.0,-0.0081342705,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-La,4.0,A2BC_cF16_225_c_a_b:Au-Hg-La +mp-1093587,La2HgAu,-1.88558787,1.4768062738,2.1388899362,2.1388899362,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-La,4.0,ABC2_oI8_71_a_b_e:Au-Hg-La +mp-1191708,TaTe4Ru,-6.2423525733,-0.6247852828,0.006723279,0.006723279,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Ru-Ta-Te,24.0,ABC4_oP24_31_2a_2a_8a:Ru-Ta-Te +mp-27834,Tl2PtCl6,-3.6207791844,-1.1888192319,0.0,-0.1008849967,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Pt-Tl,9.0,A6BC2_cF36_225_e_a_c:Cl-Pt-Tl +mp-1077349,ThGeTe,-6.2070251883,-1.1469611889,0.0,-0.0908695357,GGA,I4/mmm,ABC_tI12_139_c_e_e:Ge-Te-Th,6.0,ABC_tI12_139_c_e_e:Ge-Te-Th +mp-1106192,EuZrSe3,-7.731421883,-1.8729345104,0.024710739,0.024710739,GGA,Pnma,AB3C_oP20_62_c_3c_c:Eu-Se-Zr,20.0,AB3C_oP20_62_c_3c_c:Eu-Se-Zr +mp-1184395,Eu3Zr,-9.512472855,0.3172036525,0.3172036525,0.3172036525,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Zr,4.0,A3B_tI8_139_ad_b:Eu-Zr +mp-1184319,Eu3Zr,-9.4994123575,0.33026415,0.33026415,0.33026415,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Zr,4.0,A3B_cP4_221_c_a:Eu-Zr +mp-1226114,Eu2(ZrSe2)5,-7.5515880741,-1.7744338667,0.0163273147,0.0163273147,GGA,P-1,A2B10C5_aP17_2_i_5i_a2i:Eu-Se-Zr,17.0,"Invalid WP multiplicities - A2B10C5_aP17_2_i_9i_a3i:Eu-Se-Zr, expected Eu2Zr7Se18 to be Eu2(ZrSe2)5" +mp-978558,SmErRh2,-6.82046133,-0.8167311587,0.020793565,0.020793565,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Sm +mp-1197291,Yb11(Gd2Se11)2,-5.5701076105,-1.5119932173,0.4890828663,0.4890828663,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Gd-Se-Yb,,A4B22C11_mC74_12_2i_11i_a5i:Gd-Se-Yb +mp-1219107,SmCdIn,-3.2140677483,-0.4163478733,0.0,-0.004794474,GGA,P-3m1,ABC_hP6_164_d_d_c:Cd-In-Sm,6.0,ABC_hP6_164_d_d_c:Cd-In-Sm +mp-1187051,Sm2CdIn,-3.694027635,-0.416091195,0.0,-0.0142211575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Sm,4.0,ABC2_cF16_225_a_b_c:Cd-In-Sm +mp-505333,Hf5CoAs3,-8.7389939803,-0.8643697403,0.0,-0.0442195261,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:As-Co-Hf,36.0,A3BC5_oP36_62_3c_c_5c:As-Co-Hf +mp-9801,HfCoAs,-8.0575305375,-0.8159887942,0.0,-0.1509605567,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-Hf,12.0,ABC_oP12_62_c_c_c:As-Co-Hf +mp-862837,PmAlAg2,-3.8481685625,-0.3078610227,0.0,-0.0236673025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Pm +mp-982511,HoGa2Pd,-4.7558246963,-0.801204015,0.0,-0.0461211947,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ho-Pd,8.0,A2BC_oC16_63_f_c_c:Ga-Ho-Pd +mp-31386,HoGaPd,-5.1599203542,-0.89645812,0.0,-0.04794648,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ho-Pd,12.0,ABC_oP12_62_c_c_c:Ga-Ho-Pd +mp-1104210,Ho3Ga9Pd2,-4.31567277,-0.6471117391,0.0016357495,0.0016357495,GGA,Immm,A9B3C2_oI28_71_b2n_ag_f:Ga-Ho-Pd,14.0,A9B3C2_oI28_71_b2n_ag_f:Ga-Ho-Pd +mp-1212232,Ho4Ga12Pd,-4.1222583224000005,-0.6018659953000001,0.0,-0.0221573332,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Ho-Pd,17.0,A12B4C_cI34_229_de_c_a:Ga-Ho-Pd +mp-1205879,PrCdAu,-3.6321772178,-0.6396180461000001,0.0,-0.0376956349,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Pr,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Pr +mp-867176,PrCdAu2,-3.7033502625,-0.6404603837,0.0,-0.059455642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Pr +mp-1206565,Pr2CdAu2,-4.105158968,-0.698665914,0.0025892307,0.0025892307,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-Cd-Pr,10.0,A2BC2_tP10_127_g_a_h:Au-Cd-Pr +mp-973631,Lu2AlRu,-5.9540862475,-0.438616395,0.0628388601,0.0628388601,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Al-Lu-Ru +mp-862895,Er2ZnRu,-5.3194155625,-0.40201962,0.0,-0.0165512194,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Ru-Zn +mp-1104923,Eu(Al2Cu)4,-4.6520000477,-0.2967358077,0.0,-0.0371437263,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Eu,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Eu +mp-1025136,EuAl3Cu2,-5.3246731117,-0.3759826733,0.0,-0.0749775695,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Cu-Eu,6.0,A3B2C_hP6_191_g_c_a:Al-Cu-Eu +mp-1224385,HfAlPd,-6.9496818658,-0.6554663092,0.0519891994,0.0519891994,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Hf-Pd,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Hf-Pd, expected Hf3(AlPd)2 to be HfAlPd" +mp-1223870,Hf2Al3Pd,-6.6866041108,-0.6314395508,0.0,-0.0269271413,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Al-Hf-Pd,12.0,A3B2C_hP12_194_h_f_a:Al-Hf-Pd +mp-1193241,Hf6Al16Pd7,-6.0857870934,-0.7088381234000001,0.0,-0.0290474382,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Pd,29.0,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Pd +mp-16501,HfAlPd2,-6.8442876975,-0.8286555775000001,0.0,-0.0272905838,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Pd,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Pd +mp-1183568,CaTmZn2,-2.5393651625,-0.2891345317,0.0156020912,0.0156020912,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Tm-Zn +mp-1204796,CeSiAs3,-5.6598297165,-0.5926772365,0.023310004,0.023310004,GGA,Pna2_1,A3BC_oP40_33_6a_2a_2a:As-Ce-Si,40.0,A3BC_oP40_33_6a_2a_2a:As-Ce-Si +mp-864926,HfPaTc2,-10.4121947825,-0.3639118875,0.0,-0.0923549894,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Pa-Tc +mp-1222809,LaTh3Ru8,-8.7244589908,-0.2767254763,0.0249063584,0.0249063584,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:La-Ru-Th,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:La-Ru-Th, expected LaTh3Ru20 to be LaTh3Ru8" +mp-1093747,CdFeRh2,-3.5484190175,2.48196266,2.5080430525,2.5080430525,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Fe-Rh,4.0,ABC2_oI8_71_a_b_e:Cd-Fe-Rh +mp-867273,Be2CuIr,-5.50387231,-0.399755665,0.0,-0.0921280792,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Cu-Ir,4.0,A2BC_cF16_225_c_a_b:Be-Cu-Ir +mp-569082,Sm(Sb3Os)4,-5.9816329847,-0.1477464709,0.0317722843,0.0317722843,GGA,Im-3,A4B12C_cI34_204_c_g_a:Os-Sb-Sm,17.0,A4B12C_cI34_204_c_g_a:Os-Sb-Sm +mp-1227409,BiAsPd6,-5.1823496563,-0.2349873569,0.0843228356,0.0843228356,GGA,R-3m,ABC6_hR24_166_a_b_3c:As-Bi-Pd,8.0,"Invalid WP multiplicities - ABC6_hR24_166_a_b_4c:As-Bi-Pd, expected BiAsPd8 to be BiAsPd6" +mp-1100406,NbAsRu,-7.92012269,0.0914859717,0.5424827183,0.5424827183,GGA,F-43m,ABC_cF12_216_a_c_b:As-Nb-Ru,3.0,ABC_cF12_216_a_c_b:As-Nb-Ru +mp-1215840,Yb3DySb3,-4.2331342193,-1.1456177336,0.0,-0.0468309774,GGA,Cc,AB3C3_mC28_9_a_3a_3a:Dy-Sb-Yb,,"Invalid WP multiplicities - AB3C3_mC28_9_a_4a_6a:Dy-Sb-Yb, expected Yb6DySb4 to be Yb3DySb3" +mp-675142,Yb3DySb3,-4.2302453171,-1.1427288314,0.0028889021,-0.0439420752,GGA,P2_13,AB3C3_cP28_198_a_b_3a:Dy-Sb-Yb,,"Invalid WP multiplicities - AB3C3_cP28_198_a_b_10a:Dy-Sb-Yb, expected Yb10DySb3 to be Yb3DySb3" +mp-1226561,CeSmFe4,-7.4167318017,0.00522822,0.0460439433,0.0460439433,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Fe-Sm,6.0,AB4C_cF24_216_a_e_c:Ce-Fe-Sm +mp-1093750,ScAgAu2,-2.7316599275,1.1965373496,1.8106329833,1.8106329833,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Sc,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Sc +mp-862703,Sc2AgAu,-5.249598205,-0.5567541517,0.0046965406,0.0046965406,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Sc +mp-972424,TbYbPt2,-5.75406489,-1.175004635,0.0,-0.0085104564,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Tb-Yb,,A2BC_cF16_225_c_a_b:Pt-Tb-Yb +mp-861885,LiDyAu2,-3.981135565,-0.7152671383,0.0017541633,0.0017541633,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Dy-Li,4.0,A2BC_cF16_225_c_a_b:Au-Dy-Li +mp-1006056,PaNi2Ge,-6.828739345,-0.4042478763,0.0216147725,0.0216147725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ni-Pa,4.0,AB2C_cF16_225_a_c_b:Ge-Ni-Pa +mp-861498,Pr2HgPb,-3.91155375,-0.5170190138,0.0061986427,0.0061986427,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pb-Pr,4.0,ABC2_cF16_225_a_b_c:Hg-Pb-Pr +mp-1184622,Ho2AgAu,-4.424974195,-0.6071602592,0.009083005,0.009083005,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Ho,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Ho +mp-1227265,Ca2PtAu,-4.2016269175,-0.8625731475,0.0,-0.0156491985,GGA,Amm2,AB2C_oC8_38_a_ab_b:Au-Ca-Pt,4.0,AB2C_oC8_38_a_ab_b:Au-Ca-Pt +mp-1096399,Ca2PtAu,-2.6928277275,0.6462260425,1.50879919,1.4931499915,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Ca-Pt +mp-1183466,Ca2PtAu,-4.181492735,-0.842438965,0.0201341825,0.004484984,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ca-Pt,4.0,AB2C_cF16_225_a_c_b:Au-Ca-Pt +mp-1097570,BeMoRu2,-4.794904035,3.4885629788,3.6478524521,3.6478524521,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Mo-Ru,4.0,ABC2_oI8_71_a_b_e:Be-Mo-Ru +mp-865140,MnGaRu2,-7.9500157775,-0.2652866789,0.0,-0.1082752785,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mn-Ru,4.0,ABC2_cF16_225_a_b_c:Ga-Mn-Ru +mp-1206997,MnGaRu,-6.9325830733,0.2222548782,0.4779538832,0.4779538832,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Mn-Ru,3.0,ABC_cF12_216_c_a_b:Ga-Mn-Ru +mp-1212892,Dy4CdIr,-5.2240460413,-0.5259674913,0.0,-0.0310376925,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Dy-Ir,24.0,AB4C_cF96_216_e_efg_e:Cd-Dy-Ir +mp-4508,ErInPd,-4.9814959756,-0.8150678589,0.0,-0.038716312,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-In-Pd,9.0,ABC_hP9_189_f_g_ad:Er-In-Pd +mp-1190725,Er5(In2Pd)2,-4.7070436714,-0.6883988905,0.0,-0.0569890714,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Er-In-Pd,22.0,A5B4C2_oP22_55_a2g_2h_h:Er-In-Pd +mp-571580,Er14(InPd)3,-4.8644438759,-0.4773058779,0.0,-0.0369552582,GGA,P4_2/nmc,A14B3C3_tP80_137_cdf3gh_cg_dg:Er-In-Pd,80.0,"Invalid WP multiplicities - A14B3C3_tP80_137_4c4d8f21g11h_4c5g_3d2g:Er-In-Pd, expected Er110(In2Pd)7 to be Er14(InPd)3" +mp-12689,Er2InPd2,-5.33257386,-0.883196866,0.0,-0.0216984167,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Er-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Er-In-Pd +mp-11371,ErInPd2,-5.2609914125,-0.8411998725000001,0.0,-0.0432308121,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-In-Pd,4.0,ABC2_cF16_225_a_b_c:Er-In-Pd +mp-1213359,ErIn2Pd,-4.455536918,-0.642794898,0.0,-0.0092768465,GGA,I4mm,AB2C_tI80_107_2acd_c2de_bcd:Er-In-Pd,40.0,AB2C_tI80_107_2acd_c2de_bcd:Er-In-Pd +mp-1195609,Pr2ZrSe5,-6.4360077981,-1.9873741071,0.0,-0.015470962,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pr-Se-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Pr-Se-Zr +mp-1208345,TbCrSe3,-6.4051988215,-1.4501692209,0.0325351533,0.0325351533,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cr-Se-Tb,20.0,AB3C_oP20_62_c_3c_c:Cr-Se-Tb +mp-505638,Tb3CrSe6,-6.2715286115,-1.8183671479,0.0004753471,0.0004753471,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-Se-Tb,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-Se-Tb +mp-1097438,Hf2FeCo,-5.557106935,3.3160723312,3.6556516664,3.6556516664,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Fe-Hf,4.0,ABC2_oI8_71_a_b_e:Co-Fe-Hf +mp-1219336,Sr10In17Au27,-3.3460089507,-0.5299279888,0.0,-0.0011091484,GGA,Pm,A27B17C10_mP54_6_13a14b_9a8b_5a5b:Au-In-Sr,54.0,A27B17C10_mP54_6_13a14b_9a8b_5a5b:Au-In-Sr +mp-570807,Sr4In13Au9,-3.22811262,-0.4590818391,0.0,-0.0088985778,GGA,P-6m2,A9B13C4_hP26_187_2jk_a2kl_ck:Au-In-Sr,26.0,"Invalid WP multiplicities - A9B13C4_hP26_187_5j2k_a4k3l_ck:Au-In-Sr, expected Sr4In31Au21 to be Sr4In13Au9" +mp-1209007,SrIn5Au3,-3.1681909292,-0.360462251,0.0282741375,0.0282741375,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:Au-In-Sr,36.0,A3B5C_oP36_62_3c_5c_c:Au-In-Sr +mp-1218230,SrInAu5,-3.41971991,-0.4467788838,0.0,-0.0211235268,GGA,I-4m2,A5BC_tI14_119_ah_b_c:Au-In-Sr,7.0,A5BC_tI14_119_ah_b_c:Au-In-Sr +mp-1218804,Sr4In17Au15,-3.2338790606,-0.3826338599,0.0339069037,0.0339069037,GGA,Pm,A15B17C4_mP36_6_7a8b_9a8b_2a2b:Au-In-Sr,36.0,A15B17C4_mP36_6_7a8b_9a8b_2a2b:Au-In-Sr +mp-570556,Sr(InAu)2,-3.287970543,-0.5398455603,0.0,-0.0104162464,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Au-In-Sr,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_7c_2c_c:Au-In-Sr, expected SrIn2Au7 to be Sr(InAu)2" +mp-1209343,Sr2In4Au3,-3.2297237228,-0.5400161865,0.0,-0.0133647017,GGA,P-62m,A3B4C2_hP36_189_2fk_agjk_cfg:Au-In-Sr,36.0,A3B4C2_hP36_189_2fk_agjk_cfg:Au-In-Sr +mp-22529,SrInAu,-3.2207679042,-0.6490815097,0.0,-0.0447739561,GGA,Pnma,ABC_oP12_62_c_c_c:Au-In-Sr,12.0,ABC_oP12_62_c_c_c:Au-In-Sr +mp-1218236,SrIn3Au,-3.062882236,-0.4191969073,0.0,-0.0038268444,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-In-Sr,5.0,AB3C_tI10_107_a_ab_a:Au-In-Sr +mp-581716,Sr(InAu)3,-3.2949670764,-0.471225556,0.0,-0.0143181618,GGA,Pmmn,A3B3C_oP14_59_ae_ae_b:Au-In-Sr,14.0,"Invalid WP multiplicities - A3B3C_oP14_59_a2e_2a2e_b:Au-In-Sr, expected SrIn6Au5 to be Sr(InAu)3" +mp-17388,Yb3Cu6Sn5,-3.8875354243,-0.3688265575,0.0025473229,0.0025473229,GGA,Immm,A6B5C3_oI28_71_fm_bm_ai:Cu-Sn-Yb,,"Invalid WP multiplicities - A6B5C3_oI28_71_fm_b2m_ai:Cu-Sn-Yb, expected YbCu2Sn3 to be Yb3Cu6Sn5" +mp-569691,YbCu9Sn4,-4.0165682025,-0.1257999361,0.0140227171,0.0140227171,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Cu-Sn-Yb,,"Invalid WP multiplicities - A9B4C_tI56_140_2d5k4l_l_a:Cu-Sn-Yb, expected Yb(Cu19Sn2)2 to be YbCu9Sn4" +mp-683906,Yb5Cu11Sn8,-3.8935342744,-0.3574555406,0.0039451834,0.0039451834,GGA,Pmmn,A11B8C5_oP48_59_b5e_2a3e_a2e:Cu-Sn-Yb,,"Invalid WP multiplicities - A11B8C5_oP48_59_2b16e_4a11e_2a5e:Cu-Sn-Yb, expected Yb6Cu17Sn13 to be Yb5Cu11Sn8" +mp-1207635,Yb3(CuSn)4,-3.7802987191,-0.4117588155,0.0321800239,0.0321800239,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Yb,,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Yb +mp-1207590,YbCuSn,-3.731188675,-0.51505974,0.0,-0.0379276771,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Sn-Yb,,ABC_oP12_62_c_c_c:Cu-Sn-Yb +mp-1207636,YbCu5Sn,-3.9804089693,-0.2596641857,0.0,-0.0334993754,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sn-Yb,,A5BC_oP28_62_3cd_c_c:Cu-Sn-Yb +mp-630820,Yb4Cu2Sn5,-3.6751497205,-0.5474491991,0.0,-0.0033254409,GGA,Pmmn,A2B5C4_oP22_59_e_a2e_2be:Cu-Sn-Yb,,"Invalid WP multiplicities - A2B5C4_oP22_59_e_2a7e_3b4e:Cu-Sn-Yb, expected Yb11(CuSn8)2 to be Yb4Cu2Sn5" +mp-1190022,Yb5CuSn3,-3.1881271983,-0.5407979056000001,0.0614882822,0.0614882822,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Sn-Yb,,AB3C5_hP18_193_b_g_dg:Cu-Sn-Yb +mp-977566,MgScPd2,-5.41246645,-0.8393382562,0.0,-0.0145288425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Sc +mp-1095870,Ca2HgGe,-1.205351595,1.0291254,1.6358846075,1.6358846075,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ge-Hg,4.0,A2BC_oI8_71_e_a_b:Ca-Ge-Hg +mp-1183454,Ca2HgGe,-2.8336692925,-0.5991922975,0.00756691,0.00756691,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ge-Hg,4.0,A2BC_cF16_225_c_a_b:Ca-Ge-Hg +mp-1096126,AlTc2Ge,-4.3771348525,2.8953355412,3.2061443338,3.2061443338,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ge-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Ge-Tc +mp-1097152,Mn2AlMo,-4.9870971575,3.2417169735,3.4138452003,3.4138452003,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Mn-Mo,4.0,AB2C_oI8_71_a_e_b:Al-Mn-Mo +mp-1184290,EuMgCd2,-3.7040633575,-0.278298015,0.0,-0.0149841988,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Eu-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Eu-Mg +mp-1183886,Eu2MgCd,-5.972737815,-0.2134444625,0.0060161306,0.0060161306,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Mg +mp-685767,Ta24Ti5Se48,-7.3684269338,-0.9805324645,0.1597944294,0.1597944294,GGA,R-3,A48B24C5_hR231_148_8f_3c3f_a2c:Se-Ta-Ti,77.0,"Invalid WP multiplicities - A48B24C5_hR231_148_47f_6c17f_a4c:Se-Ta-Ti, expected Ta38Ti3Se94 to be Ta24Ti5Se48" +mp-1217829,TaTiSe4,-6.8982854817,-1.2754662221,0.00427511,0.00427511,GGA,P2/m,A4BC_mP6_10_mn_a_e:Se-Ta-Ti,6.0,"Invalid WP multiplicities - A4BC_mP6_10_2mn_c_e:Se-Ta-Ti, expected TaTiSe6 to be TaTiSe4" +mp-14561,Ba(SiIr)2,-6.9146345605,-0.8253386885,0.0,-0.2949462935,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Ir-Si,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_4e:Ba-Ir-Si, expected BaSi4Ir3 to be Ba(SiIr)2" +mp-1097122,Be2IrRh,-3.0884270375,2.8319649075,3.2896866617,3.2896866617,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Ir-Rh,4.0,A2BC_oI8_71_e_a_b:Be-Ir-Rh +mp-22775,Sr(Sb3Ru)4,-5.6384745135,-0.4422910727,0.0,-0.0322178671,GGA,Im-3,A4B12C_cI34_204_c_g_a:Ru-Sb-Sr,17.0,A4B12C_cI34_204_c_g_a:Ru-Sb-Sr +mp-1070613,Sr(SbRu)2,-6.209606016,-0.5103458133000001,0.0223182096,0.0223182096,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Sb-Sr,5.0,A2B2C_tI10_139_d_e_a:Ru-Sb-Sr +mp-867236,Tb2IrPd,-6.709298025,-0.8875359775,0.0,-0.0283842752,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Tb,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Tb +mp-1184381,Gd2AgAu,-9.1361080425,-0.5714374217,0.0,-0.0026918875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Gd,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Gd +mp-1187564,TmScPd2,-6.20531225,-0.9132952129,0.015319995,0.015319995,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sc-Tm,4.0,A2BC_cF16_225_c_a_b:Pd-Sc-Tm +mp-1096614,Ta2ReTc,-6.9600928175,4.67008753,5.1342458675,5.0188732025,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Re-Ta-Tc +mp-1187212,Ta2ReTc,-12.094338685,-0.4641583375,0.0,-0.115372665,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Ta-Tc,4.0,AB2C_cF16_225_a_c_b:Re-Ta-Tc +mp-1187383,TbSnRu2,-7.13663543,-0.3384496713,0.0257338889,0.0257338889,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Tb,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Tb +mp-1217272,TeAsIr,-6.12185859,-0.5749057639,0.0,-0.0431960867,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ir-Te,12.0,ABC_cP12_198_a_a_a:As-Ir-Te +mp-975053,Rb3Ba,-1.064973745,0.1501705444,0.1501705444,0.1501705444,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Rb,4.0,AB3_tI8_139_a_bd:Ba-Rb +mp-975037,Rb3Ba,-1.06250949,0.1526347994,0.1526347994,0.1526347994,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Rb,4.0,AB3_cF16_225_a_bc:Ba-Rb +mp-975509,RbBa3,-1.559971585,0.1243931381,0.1243931381,0.1243931381,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Rb,4.0,A3B_tI8_139_ad_b:Ba-Rb +mp-975397,RbBa3,-1.549779475,0.1345852481,0.1345852481,0.1345852481,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Rb,4.0,A3B_cF16_225_ac_b:Ba-Rb +mp-1209437,RbBa2Br5,-4.0782447666,-2.5052915663,0.0,-0.0101583916,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ba-Br-Rb,32.0,A2B5C_mP32_14_2e_5e_e:Ba-Br-Rb +mp-1219768,Rb2BaBr4,-3.7429043129,-2.3011676836,0.0178041309,0.0178041309,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ba-Br-Rb,14.0,AB4C2_tI28_122_a_e_d:Ba-Br-Rb +mp-568182,Ce(CoAs)2,-6.628525944,-0.734933633,0.0,-0.043116767,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ce-Co,5.0,A2BC2_tI10_139_e_a_d:As-Ce-Co +mp-1213460,Dy12Ni6Pb,-5.3063561395,-0.3760977589,0.0,-0.012057286,GGA,Im-3,A12B6C_cI38_204_g_e_a:Dy-Ni-Pb,19.0,A12B6C_cI38_204_g_e_a:Dy-Ni-Pb +mp-640372,Dy5NiPb3,-4.9649613639,-0.5258489094000001,0.0,-0.0064642326,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Dy-Ni-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_3d4g_b_g:Dy-Ni-Pb, expected Dy18NiPb3 to be Dy5NiPb3" +mp-1184293,EuTlAu2,-5.30617516,-0.5143229233000001,0.0512475329,0.0512475329,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Tl +mp-1024957,TmInCu4,-4.2225936167,-0.2852026444,0.0,-0.0704287067,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Tm,6.0,A4BC_cF24_216_e_a_c:Cu-In-Tm +mp-1078916,Tm2InCu2,-4.375205448,-0.3948518647,0.0,-0.060015484,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Tm,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Tm +mp-1216978,TmIn7Cu5,-3.4554994646,-0.0529106274,0.0794392388,0.0794392388,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Tm,13.0,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Tm +mp-622636,TmInCu2,-4.17864403,-0.3221609067,0.0064616478,0.0064616478,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-In-Tm +mp-1104975,Lu(FeSn)6,-6.2065465854,-0.0989689769,0.0183041058,0.0183041058,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Fe-Lu-Sn,13.0,A6BC6_hP13_191_i_a_cde:Fe-Lu-Sn +mp-867110,Sc2CoOs,-8.1257967875,-0.3756409288,0.0,-0.0022276161,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Os-Sc +mp-972997,HoErCd2,-3.0602549175,-0.3112781175,0.0064112875,0.0064112875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Er-Ho,4.0,A2BC_cF16_225_c_a_b:Cd-Er-Ho +mp-864892,NdAgAu2,-4.10832845,-0.5712115910000001,0.0097958746,0.0097958746,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Nd,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Nd +mp-1079601,ThGaNi,-6.0472649267,-0.6399012758,0.0,-0.1037712325,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ni-Th,9.0,ABC_hP9_189_f_bc_g:Ga-Ni-Th +mp-864753,LiYb2Ga,-2.261144365,-0.2570855027,0.0057391192,0.0057391192,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Yb,,ABC2_cF16_225_a_b_c:Ga-Li-Yb +mp-1095834,Mg2IrPt,-2.441862115,2.085669785,2.6692656025,2.6489069375,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Mg-Pt,4.0,AB2C_oI8_71_a_e_b:Ir-Mg-Pt +mp-1185768,Mg2IrPt,-5.1111277175,-0.5835958175,0.0,-0.020358665,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Mg-Pt,4.0,AB2C_cF16_225_a_c_b:Ir-Mg-Pt +mp-1078774,PuGaRh,-8.8538419489,-0.6337612081,0.0,-0.1554667161,GGA,P-62m,ABC_hP9_189_f_g_bc:Ga-Pu-Rh,9.0,ABC_hP9_189_f_g_bc:Ga-Pu-Rh +mp-617543,Th(InBr3)2,-4.1539047211,-1.6833052,0.0,-0.0039981889,GGA,C2/c,A6B2C_mC36_15_3f_f_e:Br-In-Th,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_8f_f_e:Br-In-Th, expected Th(InBr8)2 to be Th(InBr3)2" +mp-1189819,Dy3Ge3Ru2,-6.5538353413,-0.7740541956,0.0,-0.0045287416,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Dy-Ge-Ru,16.0,A3B3C2_oC32_63_cf_cf_f:Dy-Ge-Ru +mp-1197267,Dy3Ge13Ru4,-5.9911818713,-0.4403152315,0.0201362117,0.0201362117,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Ru,40.0,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Ru +mp-21082,Dy(GeRu)2,-7.130105212,-0.649775686,0.0,-0.0802158205,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Ru,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Ru +mp-19986,DyGeRu,-6.8892647775,-0.7211923658,0.0,-0.0289737522,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Ru,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Ru +mp-1205905,Dy2Ge2Ru,-6.345331693,-0.798525307,0.0,-0.005354186,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Dy-Ge-Ru,10.0,A2B2C_mC20_12_2i_2i_i:Dy-Ge-Ru +mp-1105812,Dy2Ge5Ru3,-6.653174146,-0.6379820885,0.0,-0.0380774165,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Dy-Ge-Ru,20.0,A2B5C3_oI40_72_j_afj_bj:Dy-Ge-Ru +mp-972224,TaGeRh,-8.4882795033,-0.539908385,0.0,-0.0636390046,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Ta,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Ta +mp-961727,TaGeRh,-7.9161632633,0.032207855,0.57211624,0.5084772354,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Rh-Ta,3.0,ABC_cF12_216_a_b_c:Ge-Rh-Ta +mp-1220874,NaSbSe2,-3.8950767025,-0.7842393303,0.0810637825,0.0432534219,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Na-Sb-Se,4.0,ABC2_tP4_123_a_d_bc:Na-Sb-Se +mp-33333,NaSbSe2,-3.94538238,-0.8345450078000001,0.030758105,-0.0070522556,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Na-Sb-Se,8.0,ABC2_tI16_141_a_b_e:Na-Sb-Se +mp-1220879,NaSbSe2,-3.976140485,-0.8653031128,0.0,-0.0378103606,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Sb-Se,4.0,ABC2_hR12_166_a_b_c:Na-Sb-Se +mp-8703,Na3SbSe4,-3.71776318,-0.9577353011,0.0102560613,0.0102560613,GGA,I-43m,A3BC4_cI16_217_b_a_c:Na-Sb-Se,8.0,A3BC4_cI16_217_b_a_c:Na-Sb-Se +mp-1193265,Na3SbSe3,-3.6886396311,-1.0337379806,0.0,-0.0167446154,GGA,P2_13,A3BC3_cP28_198_3a_a_b:Na-Sb-Se,28.0,A3BC3_cP28_198_3a_a_b:Na-Sb-Se +mp-1206447,Dy2MgNi2,-4.857092032,-0.382266614,0.0,-0.0143135023,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:Dy-Mg-Ni +mp-1212902,Dy4MgNi,-4.5014315112,-0.2001708296,0.0,-0.0211682904,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-Mg-Ni,24.0,A4BC_cF96_216_efg_e_e:Dy-Mg-Ni +mp-1216674,Tm(AlCr)6,-6.6486375969,-0.1203625797,0.0919473131,0.0919473131,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cr-Tm,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cr-Tm +mp-1197793,Tm6Al43Cr4,-4.5352924016,-0.261198758,0.0,-0.0096389008,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Tm +mp-972121,Tm(Al2Cr)4,-5.8307804415,-0.2113472151,0.0074666589,0.0074666589,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Tm,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cr-Tm, expected Tm(Al3Cr)4 to be Tm(Al2Cr)4" +mp-20363,LiGa2Pt,-4.1284883725,-0.6194263146,0.0,-0.0549474988,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Pt +mp-1207369,LiGaPt,-4.30685309,-0.6374690203000001,0.0271587433,0.0271587433,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ga-Li-Pt,6.0,ABC_hP6_194_c_d_a:Ga-Li-Pt +mp-3726,Li2GaPt,-3.8890415925,-0.6597728235,0.0,-0.1226939703,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Li-Pt,4.0,AB2C_cF16_216_a_bc_d:Ga-Li-Pt +mp-867170,LiGaPt2,-4.984505535,-0.7146841527000001,0.0,-0.0959686331,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Pt,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Pt +mp-1097350,TaAlTc2,-5.550022715,3.5311351225000003,3.9796620257,3.9796620257,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Ta-Tc +mp-983908,Er2ZnAu,-4.0340400125,-0.616774205,0.0101915288,0.0101915288,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Er-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Er-Zn +mp-631319,LiTiRe,-6.3702597633,1.0460542594,1.3113467956,1.3113467956,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Re-Ti,3.0,ABC_cF12_216_a_b_c:Li-Re-Ti +mp-1079690,GdSiAg,-8.00411753,-0.5594521056,0.0,-0.0458035956,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Gd-Si,9.0,ABC_hP9_189_f_g_bc:Ag-Gd-Si +mp-21287,Gd(SiAg)2,-6.501257828,-0.3828837667,0.0,-0.0472125033,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Gd-Si +mp-862610,LiHfIr2,-8.080974445,-0.6952293808000001,0.0,-0.0497000821,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Li,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Li +mp-976598,LiHf2Ir,-8.2006612725,-0.5352274958000001,0.0141702719,0.0141702719,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Li +mp-1195274,Bi12Rh3Cl2,-4.6342016115,-0.406209465,0.0,-0.030097649,GGA,Fddd,A12B2C3_oF136_70_3h_e_ac:Bi-Cl-Rh,34.0,A12B2C3_oF136_70_3h_e_ac:Bi-Cl-Rh +mp-1189721,Er6CoBr10,-4.8559387559000005,-1.9121202879,0.0,-1.7829301247,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Co-Er,17.0,A10BC6_aP17_2_5i_a_3i:Br-Co-Er +mp-1190471,Ba(Sn2Ru)3,-5.6829781355,-0.3030167665,0.0,-0.005959236,GGA,Cmcm,AB3C6_oC40_63_c_cg_2c2g:Ba-Ru-Sn,20.0,AB3C6_oC40_63_c_cg_2c2g:Ba-Ru-Sn +mp-1221659,MnFePt2,-7.5979045625,-0.154328777,0.1347699675,0.1347699675,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Fe-Mn-Pt,4.0,ABC2_tP4_123_a_b_h:Fe-Mn-Pt +mp-1093658,HfTaRu2,-6.6181072575,3.4728356775,4.0470615375,4.0470615375,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ru-Ta,4.0,AB2C_oI8_71_a_e_b:Hf-Ru-Ta +mp-1184573,HfTaRu2,-10.647026075,-0.55608314,0.01814272,0.01814272,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Ta +mp-1187336,TbErIn2,-4.126360445,-0.4499973525,0.0,-0.0312637377,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Tb,4.0,AB2C_cF16_225_a_c_b:Er-In-Tb +mp-1097621,LiMnAu2,-3.34753983,1.0571357097,1.3746766693,1.3746766693,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Li-Mn,4.0,A2BC_oI8_71_e_a_b:Au-Li-Mn +mp-1190710,Sc5(In2Co)2,-5.62129855,-0.4498698195,0.0,-0.0386783659,GGA,Pbam,A2B4C5_oP22_55_g_2g_b2h:Co-In-Sc,22.0,A2B4C5_oP22_55_g_2g_b2h:Co-In-Sc +mp-1220626,Sc36In5Co13,-6.5121217378,-0.3244284458,0.0,-0.0053410137,GGA,C2/m,A13B5C36_mC108_12_a6i_c2i_6i6j:Co-In-Sc,54.0,"Invalid WP multiplicities - A13B5C36_mC108_12_a12i_c2i_12i24j:Co-In-Sc, expected Sc24InCo5 to be Sc36In5Co13" +mp-1209292,Sc6InCo2,-6.4355696628,-0.3285547794,0.0,-0.0002851102,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Sc,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-In-Sc +mp-1097281,ScInCo2,-3.566577485,2.2586196213,2.5347597708,2.5347597708,GGA,Immm,A2BC_oI8_71_e_a_b:Co-In-Sc,4.0,A2BC_oI8_71_e_a_b:Co-In-Sc +mp-1096059,LaScRu2,-5.363181995,2.0911383275,2.4749665257,2.4749665257,GGA,Immm,AB2C_oI8_71_a_e_b:La-Ru-Sc,4.0,AB2C_oI8_71_a_e_b:La-Ru-Sc +mp-1225978,La2(InSn)3,-4.3036542237,-0.5341816031000001,0.0,-0.0086871862,GGA,Pmmm,A3B2C3_oP8_47_aj_k_bgh:In-La-Sn,8.0,A3B2C3_oP8_47_aj_k_bgh:In-La-Sn +mp-864903,MgTaRu2,-8.3604720675,-0.3587563775,0.0,-0.131231476,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-Ta +mp-19947,Pu2SnPt2,-9.710460279,-0.7729572480000001,0.0,-0.092822406,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Pt-Pu-Sn,10.0,A2B2C_tP10_127_g_h_a:Pt-Pu-Sn +mp-7241,Ho2InPd2,-5.33451813,-0.879265112,0.0,-0.012465414,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Ho-In-Pd +mp-1212252,HoIn2Pd,-4.4647925747,-0.6483780397000001,0.0,-0.0109273965,GGA,I4mm,AB2C_tI80_107_2acd_c2de_bcd:Ho-In-Pd,40.0,AB2C_tI80_107_2acd_c2de_bcd:Ho-In-Pd +mp-861654,HoInPd2,-5.2550606675,-0.8315966125,0.0,-0.0371972116,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-In-Pd,4.0,ABC2_cF16_225_a_b_c:Ho-In-Pd +mp-1191114,Ho5(In2Pd)2,-4.7142295932,-0.6889075123,0.0,-0.0517700123,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Pd,22.0,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Pd +mp-4299,HoInPd,-4.9872397067000005,-0.8159149033,0.0,-0.0392662679,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-In-Pd,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ho-In-Pd, expected Ho3In3Pd5 to be HoInPd" +mp-865113,NaNdAu2,-3.751644755,-0.5920355735,0.012755826,0.012755826,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Na-Nd +mp-866175,Yb2CdIn,-2.1464381525,-0.45799064,0.0,-0.0107627975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Yb,,ABC2_cF16_225_a_b_c:Cd-In-Yb +mp-1215546,YbCdIn,-2.10888961,-0.37082902,0.0262222321,0.0262222321,GGA,P-3m1,ABC_hP6_164_d_d_c:Cd-In-Yb,,ABC_hP6_164_d_d_c:Cd-In-Yb +mp-1187612,YbCd2In,-1.8423015975,-0.308033715,0.0246488106,0.0246488106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-In-Yb,,A2BC_cF16_225_c_a_b:Cd-In-Yb +mp-961689,ZrCoAs,-6.81043573,-0.0387234533,0.7227962067,0.7227962067,GGA,F-43m,ABC_cF12_216_a_b_c:As-Co-Zr,3.0,ABC_cF12_216_a_b_c:As-Co-Zr +mp-29135,Zr6CoAs2,-8.2537874522,-0.7301476317000001,0.0,-0.0224176406,GGA,P-62m,A2BC6_hP9_189_c_b_fg:As-Co-Zr,9.0,A2BC6_hP9_189_c_b_fg:As-Co-Zr +mp-8605,SrSbPt,-4.9147456867,-0.9515363489,0.0,-0.0901678707,GGA,P-6m2,ABC_hP3_187_a_c_f:Pt-Sb-Sr,3.0,ABC_hP3_187_a_c_f:Pt-Sb-Sr +mp-1206150,Sr2(SbPt)3,-3.1809611662,1.0664626571,1.9079733619,1.9079733619,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Sb-Sr,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Sb-Sr +mp-979967,Yb2GaHg,-2.1807108475,-0.5779626106,0.0,-0.01826494,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hg-Yb,,ABC2_cF16_225_a_b_c:Ga-Hg-Yb +mp-1213912,Ce3Sn3Ge2,-5.3144130087,-0.4301581662,0.2078126076,0.2078126076,GGA,P6_3/mmc,A3B2C3_hP16_194_cf_e_af:Ce-Ge-Sn,16.0,A3B2C3_hP16_194_cf_e_af:Ce-Ge-Sn +mp-1214514,Ce12Sn5Ge3,-5.8132076355,-0.5575070005,0.0364216041,0.0364216041,GGA,I4/mcm,A12B3C5_tI80_140_ghm_ah_cl:Ce-Ge-Sn,40.0,A12B3C5_tI80_140_ghm_ah_cl:Ce-Ge-Sn +mp-1079423,HoSnIr,-6.6599819678,-0.8498436661000001,0.0,-0.1438313878,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Ir-Sn,9.0,ABC_hP9_189_f_ad_g:Ho-Ir-Sn +mp-3498,HfGaNi2,-6.6935259475,-0.5571363444,0.008806291,0.008806291,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hf-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Hf-Ni +mp-1223946,Hf2Ga3Ni,-6.3127875183,-0.5163203838,0.0334381479,0.0334381479,GGA,Cm,A3B2C_mC12_8_3a_2a_a:Ga-Hf-Ni,6.0,A3B2C_mC12_8_3a_2a_a:Ga-Hf-Ni +mp-1193078,Hf6Ga16Ni7,-5.5854545479,-0.4594673997,0.038221021,0.038221021,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Ni,29.0,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Ni +mp-1224818,Hf4Ga5Ni3,-6.5419942606,-0.5161904045,0.0786774009,0.0786774009,GGA,P1,A5B4C3_aP36_1_15a_12a_9a:Ga-Hf-Ni,36.0,A5B4C3_aP36_1_15a_12a_9a:Ga-Hf-Ni +mp-1224540,Hf(GaNi4)3,-5.8769924488,-0.3517976202,0.000905297,0.000905297,GGA,P4/mmm,A3BC12_tP16_123_ag_b_cdh2i:Ga-Hf-Ni,16.0,"Invalid WP multiplicities - A3BC12_tP16_123_a2g_b_cd2h5i:Ga-Hf-Ni, expected HfGa5Ni26 to be Hf(GaNi4)3" +mp-1025176,HfGa5Ni,-4.7566484457,-0.3455333282,0.0267858331,0.0267858331,GGA,P4/mmm,A5BC_tP7_123_ci_a_b:Ga-Hf-Ni,7.0,A5BC_tP7_123_ci_a_b:Ga-Hf-Ni +mp-30269,HfGa2Ni,-5.990826231,-0.5424467922,0.0,-0.0144952617,GGA,I4mm,A2BC_tI80_107_c2de_2acd_bcd:Ga-Hf-Ni,40.0,"Invalid WP multiplicities - A2BC_tI80_107_2c4de_2acd_b2cd:Ga-Hf-Ni, expected Hf5Ga16Ni7 to be HfGa2Ni" +mp-1079860,HfGaNi,-6.8951176567,-0.6399770792,0.0,-0.0996521372,GGA,P-62m,ABC_hP9_189_f_g_bc:Ga-Hf-Ni,9.0,ABC_hP9_189_f_g_bc:Ga-Hf-Ni +mp-1077379,NdCdNi4,-5.08418154,-0.2822508879,0.0,-0.0139293874,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Nd-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Nd-Ni +mp-1202765,Nd(Cd10Ni)2,-1.6095526198,-0.0971084462,0.0,-0.0220998772,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Cd-Nd-Ni,46.0,A20BC2_cF184_227_cfg_a_d:Cd-Nd-Ni +mp-11991,Nd2CdNi2,-4.760671936,-0.356780339,0.0,-0.0326219165,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Nd-Ni,10.0,AB2C2_tP10_127_a_h_g:Cd-Nd-Ni +mp-1210583,Nd23Cd4Ni7,-4.7565692704,-0.2324543661,0.0,-0.0047807004,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Ni,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Ni +mp-1210076,Nd4CdNi,-4.5354580671,-0.2395220388,0.0,-0.0058521935,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Nd-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Nd-Ni +mp-1097474,NaCd2Pd,-1.2517705275,0.8352761284,1.0709768159,1.0709768159,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Na-Pd,4.0,A2BC_oI8_71_e_a_b:Cd-Na-Pd +mp-1186125,NaCd2Pd,-2.309995255,-0.2229485991,0.0127520884,0.0127520884,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Na-Pd,4.0,A2BC_cF16_225_c_a_b:Cd-Na-Pd +mp-1096242,NaCdPd2,-1.822193105,1.3291015634,1.5689608775,1.5659151321,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Na-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Na-Pd +mp-1186119,NaCdPd2,-3.3911539825,-0.2398593141,0.0,-0.0030457454,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Na-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Na-Pd +mp-1232067,Dy2MgSe4,-5.3166949782,-1.7741950296,0.1869421468,0.1820345561,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Dy-Mg-Se,28.0,A2BC4_aP28_2_4i_2i_8i:Dy-Mg-Se +mp-1232073,Dy2MgSe4,-5.4801888448,-1.9376888962,0.0234482802,0.0185406895,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Dy-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Dy-Mg-Se +mp-1232065,Dy2MgSe4,-5.4856912671,-1.9431913185,0.0179458579,0.0130382671,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Dy-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Dy-Mg-Se +mp-1232066,Dy2MgSe4,-5.4460335832,-1.9035336346,0.0576035418,0.0526959511,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Dy-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Dy-Mg-Se +mp-1232063,Dy2MgSe4,-5.4213649621,-1.8788650135,0.0822721629,0.0773645721,GGA,I-42d,A2BC4_tI28_122_d_a_e:Dy-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Dy-Mg-Se +mp-1232083,Dy2MgSe4,-5.503637125,-1.9611371763,0.0,-0.0049075907,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Dy-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:Dy-Mg-Se +mp-1232192,DyMgSe3,-4.7245185855,-1.3855583209,0.3430043205,0.3430043205,GGA,C2/m,ABC3_mC20_12_i_g_ij:Dy-Mg-Se,20.0,ABC3_mC20_12_i_g_ij:Dy-Mg-Se +mp-1238023,DyMgSe3,-4.771654079,-1.4326938144,0.295868827,0.295868827,GGA,C2/m,ABC3_mC20_12_i_g_ij:Dy-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:Dy-Mg-Se +mp-1232257,DyMgSe3,-4.8445647257,-1.5056044611,0.2229581803,0.2229581803,GGA,R-3,ABC3_hR30_148_c_c_f:Dy-Mg-Se,30.0,ABC3_hR30_148_c_c_f:Dy-Mg-Se +mp-1016570,BaMg6Ga,-1.7736076037,0.0449863041,0.1710846687,0.1710846687,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Ga-Mg, expected BaMg12Ga to be BaMg6Ga" +mp-1100167,BaMg6Ga,-1.8149577887,0.0036361191,0.1297344837,0.1297344837,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Ga-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ba-Ga-Mg +mp-1026578,BaMg14Ga,-1.6751443112,0.0342926677,0.110174765,0.110174765,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Ga-Mg, expected BaMg18Ga to be BaMg14Ga" +mp-1026508,BaMg14Ga,-1.6494963212,0.0599406577,0.135822755,0.135822755,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Ga-Mg, expected BaMg26Ga to be BaMg14Ga" +mp-1201197,Tb6Al43Mo4,-4.7027371018,-0.3206888427,0.004920695,0.004920695,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Tb,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Tb +mp-974770,NdZn2Cd,-2.383412545,-0.3307814419,0.0020000629,0.0020000629,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Cd-Nd-Zn +mp-1097600,TiNbOs2,-6.2275724525000005,3.8853105267,4.3386693149,4.3386693149,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Os-Ti,4.0,AB2C_oI8_71_a_e_b:Nb-Os-Ti +mp-1097190,HfTiAu2,-3.78024412,2.3198671417,2.8084465036,2.8084465036,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Ti +mp-1093982,TiCdPd2,-3.298428735,1.4961076142,1.9939194735,1.9939194735,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pd-Ti,4.0,AB2C_oI8_71_a_e_b:Cd-Pd-Ti +mp-3507,Lu(SiPd)2,-6.046241022,-0.899970982,0.0,-0.1045345345,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Pd-Si +mp-1189950,LuSiPd2,-6.0708036019,-0.9942955594,0.0,-0.0691450757,GGA,Pnma,AB2C_oP16_62_c_d_c:Lu-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Lu-Pd-Si +mp-1222316,Lu2Si3Pd,-5.8709304133,-0.7879742567,0.0,-0.0309135025,GGA,Pmm2,A2BC3_oP6_25_bd_a_a2c:Lu-Pd-Si,6.0,A2BC3_oP6_25_bd_a_a2c:Lu-Pd-Si +mp-977422,NpCdAu2,-5.2885161825,-0.1839078222,0.0,-0.0331586964,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Np,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Np +mp-1186644,PmSmIr2,-7.4239283275,-0.6374291231,0.0,-0.3615989541,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:Ir-Pm-Sm +mp-1102068,DyAsPd,-6.00984182,-1.1945794683,0.0,-0.0666946885,GGA,Pnma,ABC_oP12_62_c_c_c:As-Dy-Pd,12.0,ABC_oP12_62_c_c_c:As-Dy-Pd +mp-1093751,CaHfRh2,-4.7882787075,1.884572455,2.5813756725,2.5813756725,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Hf-Rh,4.0,ABC2_oI8_71_a_b_e:Ca-Hf-Rh +mp-867117,Sc2CuPt,-6.5078876025,-0.7990680525,0.0,-0.0286778481,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Pt-Sc +mp-1206935,Tm6FeBi2,-5.2083233389,-0.42987756,0.0,-0.0290106948,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Tm,9.0,A2BC6_hP9_189_c_b_fg:Bi-Fe-Tm +mp-1097051,Ta2ReNi,-6.1631192425,4.3219355388,4.58153188,4.58153188,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Ni-Re-Ta +mp-569871,Tm6CoBi2,-5.0906318722,-0.4634864728,0.0037897931,0.0037897931,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Tm,9.0,"Invalid WP multiplicities - A2BC6_hP9_189_c_b_2f3g:Bi-Co-Tm, expected Tm15CoBi2 to be Tm6CoBi2" +mp-1208024,Tm12Co5Bi,-5.4916918861,-0.3199083758,0.0,-0.0722465267,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Tm,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Tm +mp-1102288,FeTeAs,-5.8203287642,-0.3961802614,0.0,-0.0331228767,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Fe-Te,12.0,ABC_mP12_14_e_e_e:As-Fe-Te +mp-977405,LiLu2Rh,-5.14189182,-0.5631088758,0.0,-0.021175815,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Rh,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Rh +mp-1185393,LiLuRh2,-5.880287075,-0.5906647933,0.018547755,0.018547755,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Li-Lu-Rh +mp-1191828,Zr3(CrGa3)2,-6.14887334,-0.4108939795,0.0538764932,0.0538764932,GGA,Pmmn,A2B6C3_oP22_59_c_abef_ae:Cr-Ga-Zr,22.0,A2B6C3_oP22_59_c_abef_ae:Cr-Ga-Zr +mp-1186417,PaTe2Pd,-5.76086131,-0.5155717458,0.2366602575,0.2366602575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pa-Pd-Te,4.0,ABC2_cF16_225_a_b_c:Pa-Pd-Te +mp-974387,Nd2AgHg,-3.54076715,-0.3726343417,0.0,-0.0071928575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Nd,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Nd +mp-864893,NdAgHg2,-2.4157077275,-0.363691686,0.0,-0.0088269871,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Nd +mp-865713,Li2TlBi,-2.8926603375,-0.387415835,0.0,-0.0100462971,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Bi-Li-Tl +mp-1080806,TmSnPt,-5.9363027978,-1.0841225983,0.0,-0.1763421382,GGA,P-62m,ABC_hP9_189_ad_g_f:Pt-Sn-Tm,9.0,ABC_hP9_189_ad_g_f:Pt-Sn-Tm +mp-1206081,TmSnPt2,-6.0056096063,-0.8486911267,0.142251446,0.142251446,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Pt-Sn-Tm,8.0,A2BC_hP8_194_f_c_a:Pt-Sn-Tm +mp-1095881,BaSrCd2,-0.3158916525,1.0476703258,1.373726015,1.373726015,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Cd-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Cd-Sr +mp-867223,LiGa2Ni,-3.8179616275,-0.3816487296,0.0,-0.0100018034,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Ni,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Ni +mp-867197,LiGaNi2,-4.463595355,-0.3392722927,0.0,-0.0705802299,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Ni +mp-1232256,Lu2MgSe4,-5.2797272621,-1.7617519763,0.1896372264,0.1868512021,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Lu-Mg-Se,28.0,A2BC4_aP28_2_4i_2i_8i:Lu-Mg-Se +mp-1232283,Lu2MgSe4,-5.4159172877,-1.8979420019,0.0534472009,0.0506611766,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Lu-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Lu-Mg-Se +mp-1232254,Lu2MgSe4,-5.3860554004,-1.8680801146,0.0833090882,0.0805230639,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Lu-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Lu-Mg-Se +mp-1232261,Lu2MgSe4,-5.43614497,-1.9181696842,0.0332195186,0.0304334943,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Lu-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Lu-Mg-Se +mp-1232258,Lu2MgSe4,-5.3390022257,-1.8210269399,0.1303622629,0.1275762386,GGA,I-42d,A2BC4_tI28_122_d_a_e:Lu-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Lu-Mg-Se +mp-10191,Lu2MgSe4,-5.4693644886,-1.9513892028,0.0,-0.0027860243,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Lu-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:Lu-Mg-Se +mp-1232147,LuMgSe3,-4.7352018205,-1.4134088199,0.2955585025,0.2955585025,GGA,C2/m,ABC3_mC20_12_i_g_ij:Lu-Mg-Se,20.0,ABC3_mC20_12_i_g_ij:Lu-Mg-Se +mp-1237926,LuMgSe3,-4.701769016,-1.3799760154,0.328991307,0.328991307,GGA,C2/m,ABC3_mC20_12_i_g_ij:Lu-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:Lu-Mg-Se +mp-9223,ScGeRu,-7.5373393356,-0.7940395022000001,0.0,-0.1330023825,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Ru-Sc,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Ge-Ru-Sc, expected Sc3Ge5Ru3 to be ScGeRu" +mp-1188796,Sc4Ge6Ru7,-7.5611581529,-0.6206368982,0.0090292879,0.0090292879,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ru-Sc,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Ru-Sc +mp-1196513,ScGe2Ru,-6.88007146,-0.6668396212000001,0.0,-0.0454165776,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Ru-Sc,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Ru-Sc +mp-1097183,LiPbAu2,-2.1637187325,0.8786147517,1.2034877963,1.2034877963,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Li-Pb,4.0,A2BC_oI8_71_e_a_b:Au-Li-Pb +mp-30403,Li2PbAu,-3.103879135,-0.4027854342,0.00426748,0.00426748,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Pb,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Pb +mp-1184967,Li2PbAu,-3.086948525,-0.3858548242,0.02119809,0.02119809,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Au-Li-Pb +mp-1096739,NaSnRh2,-2.9652431975,2.0499350246,2.3219159246,2.3219159246,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Rh-Sn,4.0,AB2C_oI8_71_a_e_b:Na-Rh-Sn +mp-1187071,SmEuZn2,-4.659844165,-0.2860753763,0.0154085175,0.0154085175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Eu-Sm-Zn +mp-1183763,Ce2ZnIn,-4.1883852025,-0.21898379,0.0609467008,0.0609467008,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-In-Zn,4.0,A2BC_cF16_225_c_a_b:Ce-In-Zn +mp-1006399,CeZnIn,-3.6573804617,-0.34254163,0.0,-0.00950776,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-In-Zn,6.0,ABC_hP6_194_a_c_d:Ce-In-Zn +mp-570255,Pr(AlGa)2,-4.12078435,-0.455134458,0.0,-0.031433708,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Ga-Pr,5.0,A2B2C_tI10_139_d_e_a:Al-Ga-Pr +mp-1184635,Ho2ZnGa,-3.850124695,-0.4869603519,0.0025004237,0.0025004237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Ho-Zn +mp-1184079,DyScZn2,-3.7171292425,-0.3524434513,0.01168342,0.01168342,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Sc-Zn +mp-1185390,LiNdZn2,-2.565182265,-0.2660428852,0.0098995854,0.0098995854,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Nd-Zn +mp-1079341,DyZnNi,-4.3447942933,-0.4625719167,0.0,-0.0415780358,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Ni-Zn,9.0,ABC_hP9_189_f_ad_g:Dy-Ni-Zn +mp-1207541,YbMgGa4,-2.94138995,-0.3993445467,0.0,-0.0261917267,GGA,P-6m2,A4BC_hP6_187_hi_a_b:Ga-Mg-Yb,,A4BC_hP6_187_hi_a_b:Ga-Mg-Yb +mp-1198100,Tm2Al2Fe15,-7.6538106155,-0.1015400546,0.0302995159,0.0302995159,GGA,P6_3/mmc,A2B15C2_hP38_194_f_gjk_bc:Al-Fe-Tm,38.0,A2B15C2_hP38_194_f_gjk_bc:Al-Fe-Tm +mp-1216757,Tm(AlFe)6,-6.3759527138,-0.3936898167,0.0,-0.0416541906,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Tm,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Tm +mp-1216664,TmAlFe,-5.8877522567,-0.3239414356,0.0090486108,-0.0026071508,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Tm,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Tm, expected Tm3(AlFe)2 to be TmAlFe" +mp-1216694,TmAlFe,-5.8968008675,-0.3329900464,0.0,-0.0116557617,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Tm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Tm, expected Tm3(AlFe)2 to be TmAlFe" +mp-1216685,TmAl7Fe5,-6.01831231,-0.3994682882,0.0118877165,0.0118877165,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Tm,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Tm +mp-1208007,Tm(Al5Fe)2,-4.8774282862,-0.3488408905,0.0,-0.0078795577,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Tm,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Tm +mp-1104873,Tm(Al2Fe)4,-5.6844473392,-0.4290221928,0.0,-0.0420139771,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Tm,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Tm +mp-867821,TaTiMn2,-9.79973872,-0.2804136623,0.0,-0.0729531278,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Ta-Ti,4.0,A2BC_cF16_225_c_a_b:Mn-Ta-Ti +mp-866153,TiAlRh2,-7.5754307475,-0.9830098508,0.0,-0.06783784,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Rh-Ti +mp-1217136,Ti8Al15Rh7,-6.4684327577000005,-0.7718418019000001,0.0,-0.046617834,GGA,Imm2,A15B7C8_oI60_44_a3c4d_a2be_2ace:Al-Rh-Ti,30.0,"Invalid WP multiplicities - A15B7C8_oI60_44_a3c4d_a2b2e_2ac2e:Al-Rh-Ti, expected Ti12Al15Rh11 to be Ti8Al15Rh7" +mp-1194450,Ti6Al16Rh7,-6.2169480534,-0.7392818303,0.0225902786,0.0225902786,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Ti +mp-1184376,EuErTl2,-5.24235006,-0.3548483342,0.0,-0.0543253479,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Eu-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Eu-Tl +mp-1096559,Ta2ReIr,-6.929484965,4.3201441912,4.719960855,4.719960855,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Ir-Re-Ta +mp-1209863,Nd3NbSb5,-5.9255987728,-0.9199594908,0.0650831789,0.0650831789,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Nb-Nd-Sb,18.0,AB3C5_hP18_193_b_g_dg:Nb-Nd-Sb +mp-1211555,LaGa4Os,-5.1871048978,-0.4744784603,0.0,-0.0034678517,GGA,Pmma,A4BC_oP36_51_afijkl_ek_bh:Ga-La-Os,36.0,A4BC_oP36_51_afijkl_ek_bh:Ga-La-Os +mp-1186394,PaBiAu2,-5.2666661125,-0.290936665,0.0166561642,0.0166561642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Pa,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Pa +mp-1185465,Lu2GaOs,-6.2663538825,-0.4420127594,0.0464761486,0.0464761486,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Ga-Lu-Os +mp-865258,TbYbRh2,-5.98573593,-0.7600884,0.0,-0.030472405,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tb-Yb,,A2BC_cF16_225_c_a_b:Rh-Tb-Yb +mp-1093542,Nb2ReRu,-6.2785958075,4.2017891437,4.4241746025,4.3609876925,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-Ru,4.0,A2BC_oI8_71_e_a_b:Nb-Re-Ru +mp-1186207,Nb2ReRu,-10.70277041,-0.2223854588,0.0,-0.06318691,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nb-Re-Ru,4.0,A2BC_cF16_225_c_a_b:Nb-Re-Ru +mp-862822,PaSnPd2,-6.5912601875,-0.6202601537,0.0,-0.0877252314,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Pa-Pd-Sn +mp-1196619,Ir2(Se3Cl2)3,-4.3430729118,-0.8000557577,0.0,-0.1567115243,GGA,I4_1/a,A6B2C9_tI136_88_3f_f_e4f:Cl-Ir-Se,68.0,A6B2C9_tI136_88_3f_f_e4f:Cl-Ir-Se +mp-11754,Sc6Te2Os,-6.8806161478,-0.7129723870000001,0.0738075283,0.0738075283,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Os-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Os-Sc-Te +mp-1187962,YbBiRh2,-5.5176051475,-0.49042686,0.0098986203,0.0098986203,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Rh-Yb,,AB2C_cF16_225_a_c_b:Bi-Rh-Yb +mp-1093701,NaSbPd2,-2.582844695,1.3699778434,1.8137387744,1.8137387744,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Pd-Sb,4.0,AB2C_oI8_71_a_e_b:Na-Pd-Sb +mp-1072097,GdInPt4,-7.6526527183,-0.8005961767,0.0,-0.0148738008,GGA,F-43m,ABC4_cF24_216_a_c_e:Gd-In-Pt,6.0,ABC4_cF24_216_a_c_e:Gd-In-Pt +mp-22656,GdInPt2,-8.1777123425,-0.93519419,0.0,-0.04200767,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Gd-In-Pt,8.0,ABC2_hP8_194_c_a_f:Gd-In-Pt +mp-582029,GdInPt,-8.3510335467,-0.7180537833,0.1421494742,0.1421494742,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-In-Pt,9.0,ABC_hP9_189_f_g_ad:Gd-In-Pt +mp-30439,Ta6Be15Cu8,-5.7196768052,-0.2013488012,0.0,-0.0330320468,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Cu-Ta,29.0,A15B8C6_cF116_225_adf_f_e:Be-Cu-Ta +mp-1079977,CeCdPd,-4.59429053,-0.582336955,0.0,-0.0202663141,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Ce-Pd,9.0,ABC_hP9_189_f_g_bc:Cd-Ce-Pd +mp-1213866,Ce4CdPd,-5.1884658817,-0.2159445167,0.0909804131,0.0909804131,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ce-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Ce-Pd +mp-11965,Ce2CdPd2,-5.289801656,-0.660035318,0.0,-0.037575937,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Ce-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Ce-Pd +mp-1190285,Ce6Cd4Pd13,-5.3112440713,-0.6752198322,0.0261278509,0.0261278509,GGA,Im-3m,A4B6C13_cI46_229_c_e_ah:Cd-Ce-Pd,23.0,A4B6C13_cI46_229_c_e_ah:Cd-Ce-Pd +mp-1197565,Ce(Cd10Pd)2,-1.6848957435,-0.1739980054,0.0,-0.0199202378,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Cd-Ce-Pd,46.0,A20BC2_cF184_227_cfg_a_d:Cd-Ce-Pd +mp-1227488,Ca(BiAu3)2,-3.5648922511,-0.3060177911,0.0,-0.0009931036,GGA,P3m1,A6B2C_hP18_156_abc3d_ab2c_ab:Au-Bi-Ca,18.0,"Invalid WP multiplicities - A6B2C_hP18_156_abc9d_ab2c_ab:Au-Bi-Ca, expected CaBi2Au15 to be Ca(BiAu3)2" +mp-1227757,Ca3BiAu14,-3.5071830767,-0.4132032561,5.00106e-05,5.00106e-05,GGA,P3m1,A14BC3_hP18_156_a2b2c3d_a_abc:Au-Bi-Ca,18.0,"Invalid WP multiplicities - A14BC3_hP18_156_a2b2c9d_a_abc:Au-Bi-Ca, expected Ca3BiAu32 to be Ca3BiAu14" +mp-1213974,CaBiAu4,-3.5821861617,-0.4252499933,0.0,-0.0087882176,GGA,F-43m,A4BC_cF24_216_e_a_c:Au-Bi-Ca,6.0,A4BC_cF24_216_e_a_c:Au-Bi-Ca +mp-1096061,CaBiAu2,-2.31207186,0.7863913925,1.3701117625,1.3701117625,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Bi-Ca,4.0,A2BC_oI8_71_e_a_b:Au-Bi-Ca +mp-1227595,Ca2Bi3Au10,-3.5713702367,-0.3532710933,0.0004395787,0.0004395787,GGA,R3m,A10B3C2_hR90_160_5a5b_6a_4a:Au-Bi-Ca,30.0,"Invalid WP multiplicities - A10B3C2_hR90_160_5a15b_6a_4a:Au-Bi-Ca, expected Ca2Bi3Au25 to be Ca2Bi3Au10" +mp-867799,Ca2BiAu,-3.6238382725,-0.84244555,0.0,-0.0255443679,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Ca,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Ca +mp-1018657,CaBiAu,-3.7343903733,-0.6944000367000001,0.04779071,-0.05546049,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Bi-Ca,6.0,ABC_hP6_186_b_b_a:Au-Bi-Ca +mp-568398,CaBiAu,-3.7821810833,-0.7421907467000001,0.0,-0.1032512,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Bi-Ca,3.0,ABC_cF12_216_c_a_b:Au-Bi-Ca +mp-1205792,Zr6NiTe2,-7.7164187733,-0.677201857,0.0,-0.0403480358,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Ni-Te-Zr,9.0,AB2C6_hP9_189_a_d_fg:Ni-Te-Zr +mp-865597,NdPbAu2,-4.370336685,-0.6131970594,0.0,-0.0271998678,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Nd-Pb,4.0,A2BC_cF16_225_c_a_b:Au-Nd-Pb +mp-1018825,NdPbAu,-4.4902673833,-0.5720418825,0.0392891987,0.0392891987,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Nd-Pb,6.0,ABC_hP6_194_c_a_d:Au-Nd-Pb +mp-1211438,La4CdPd,-4.7090148883000005,-0.40121489,0.0,-0.0036430583,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-La-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-La-Pd +mp-12469,LaCd2Pd,-3.5819916688,-0.59157456,0.0,-0.0518888656,GGA,Cmcm,A2BC_oC16_63_f_c_c:Cd-La-Pd,8.0,A2BC_oC16_63_f_c_c:Cd-La-Pd +mp-1206250,La2CdPd2,-5.003225706,-0.7722921880000001,0.0,-0.0238527513,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-La-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-La-Pd +mp-1078614,LaCdPd,-4.3724712678,-0.6928783761,0.0,-0.0009051339,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-La-Pd,9.0,ABC_hP9_189_f_g_bc:Cd-La-Pd +mp-1186475,Pm2MgGe,-4.30846476,-0.3773666225,0.0,-0.0762098584,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mg-Pm,4.0,ABC2_cF16_225_a_b_c:Ge-Mg-Pm +mp-7910,Al2HgTe4,-3.5326364514,-0.6229142231,0.0,-0.0112843448,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Hg-Te,7.0,A2BC4_tI14_82_ac_b_g:Al-Hg-Te +mp-1227449,Be5(Al2Fe)2,-4.7578804736,-0.1561159223,0.1000106511,0.1000106511,GGA,C2/m,A4B5C2_mC22_12_2i_aef_i:Al-Be-Fe,11.0,"Invalid WP multiplicities - A4B5C2_mC22_12_4i_a2e2f_i:Al-Be-Fe, expected Be9(Al4Fe)2 to be Be5(Al2Fe)2" +mp-1227272,Be4AlFe,-4.7656584117000005,-0.2367836617,0.0,-0.0691133124,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Be-Fe,6.0,AB4C_cF24_216_a_e_c:Al-Be-Fe +mp-38394,Ba(AlTe2)2,-4.2719918586,-1.1315132624,0.0089771379,-0.0558506577,GGA,I422,A2BC4_tI14_97_c_a_j:Al-Ba-Te,7.0,A2BC4_tI14_97_c_a_j:Al-Ba-Te +mp-28505,Ba(AlTe2)2,-4.2809689964,-1.1404904002,0.0,-0.0648277955,GGA,P4/nbm,A2BC4_tP14_125_cd_a_m:Al-Ba-Te,14.0,A2BC4_tP14_125_cd_a_m:Al-Ba-Te +mp-676990,Ba7(Al3Te8)2,-4.0807021845,-1.1083168792,0.2702657302,0.2702657302,GGA,P1,A6B7C16_aP58_1_12a_14a_32a:Al-Ba-Te,58.0,A6B7C16_aP58_1_12a_14a_32a:Al-Ba-Te +mp-1259569,Ba7(Al3Te8)2,-4.1280221752,-1.1556368699,0.2229457395,0.2229457395,GGA,P1,A6B7C16_aP58_1_12a_14a_32a:Al-Ba-Te,58.0,A6B7C16_aP58_1_12a_14a_32a:Al-Ba-Te +mp-1187507,YbTmZn2,-2.4681074275,-0.3343746967,0.0076952975,0.0076952975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Tm-Yb-Zn,,ABC2_cF16_225_a_b_c:Tm-Yb-Zn +mp-862789,Er2ZnIr,-5.4826083175,-0.6742044650000001,0.0193434433,0.0193434433,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Zn +mp-17060,NaAlSe2,-4.2811335141,-1.2661524944,0.0,-0.0471195205,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Al-Na-Se,32.0,ABC2_mC64_15_2f_2f_2e3f:Al-Na-Se +mp-10166,NaAlSe2,-4.2660813888,-1.2511003691,0.0150521253,-0.0320673952,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Al-Na-Se,8.0,ABC2_tI16_140_b_a_h:Al-Na-Se +mp-9682,Na3AlSe3,-3.8875184311,-1.2873918392,0.0,-0.0413416845,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-Na-Se,28.0,AB3C3_mP28_14_e_3e_3e:Al-Na-Se +mp-974270,Na3Al,-1.7481148175,0.1801731101,0.1801731101,0.1801731101,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Na,4.0,AB3_cF16_225_a_bc:Al-Na +mp-976150,NaAl3,-2.951899205,0.1879139909,0.1879139909,0.1879139909,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Na,4.0,A3B_tI8_139_ad_b:Al-Na +mp-1186098,NaAl3,-2.9733377225,0.1664754734,0.1664754734,0.1664754734,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Na,4.0,A3B_cP4_221_c_a:Al-Na +mp-1255847,NaAl3,-2.916388225,0.2234249709,0.2234249709,0.2234249709,GGA,Fm-3m,A3B_cF16_225_ac_b:Al-Na,4.0,A3B_tI8_139_ad_b:Al-Na +mp-1097167,Ti2IrOs,-5.9377303375,3.0264660733,3.808806395,3.808806395,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Ir-Os-Ti +mp-862548,Sc2AlZn,-4.842478155,-0.4249137425,0.0,-0.0107567325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Sc-Zn +mp-569013,Ho(SiAu)2,-4.903830774,-0.507668988,0.017633686,0.017633686,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ho-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Ho-Si +mp-573390,Np2Si4Mo3,-9.2708623517,-0.3671088169,0.0,-0.0111241428,GGA,P2_1/c,A3B2C4_mP18_14_ae_e_2e:Mo-Np-Si,18.0,"Invalid WP multiplicities - A3B2C4_mP18_14_a2e_e_6e:Mo-Np-Si, expected Np2Si12Mo5 to be Np2Si4Mo3" +mp-1064892,Zr2TiAl,-7.3443326425,-0.1602153658,0.1343771867,0.1343771867,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ti-Zr,4.0,ABC2_cF16_225_a_b_c:Al-Ti-Zr +mp-1215242,ZrTi2Al,-7.2588798087,-0.2378146854,0.0490600271,0.0490600271,GGA,Amm2,AB2C_oC16_38_ab_abd_e:Al-Ti-Zr,8.0,AB2C_oC16_38_ab_abd_e:Al-Ti-Zr +mp-1093979,Zr2CuRu,-4.6634625825,2.953790035,3.3575496696,3.3575496696,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ru-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Ru-Zr +mp-1184621,Ho2AgOs,-6.1083820125,-0.3021967192,0.0215478569,0.0215478569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-Os +mp-1097577,Nb2TcRh,-5.8214136775,3.6604755462,3.9258990625,3.9258990625,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Rh-Tc,4.0,A2BC_oI8_71_e_a_b:Nb-Rh-Tc +mp-1097586,AgSnAu2,-2.1756084125,1.1718645521,1.284875025,1.284875025,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Sn,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Sn +mp-1097412,NbInCo2,-4.021882855,2.7455232350000003,2.8679446382,2.8679446382,GGA,Immm,A2BC_oI8_71_e_a_b:Co-In-Nb,4.0,A2BC_oI8_71_e_a_b:Co-In-Nb +mp-6917,TmAgSn,-4.3254086283,-0.5527542011000001,0.0,-0.1084577937,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Sn-Tm,6.0,ABC_hP6_186_b_b_a:Ag-Sn-Tm +mp-2990,TmAgSn,-4.3136233978,-0.5409689706,0.0117852306,-0.0966725632,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Sn-Tm,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Ag-Sn-Tm, expected Tm3Ag3Sn5 to be TmAgSn" +mp-574025,HfInAu2,-5.2000484075,-0.3858892175,0.0458080786,0.0458080786,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hf-In,4.0,A2BC_cF16_225_c_a_b:Au-Hf-In +mp-1225544,ErCoRu,-7.281836805,-0.29835709,0.0047661467,0.0047661467,GGA,Imma,ABC_oI12_74_a_e_c:Co-Er-Ru,6.0,ABC_oI12_74_a_e_c:Co-Er-Ru +mp-636565,YbIn5Ir,-3.7690807814,-0.3210149086,0.0,-0.0204322168,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Ir-Yb,,A5BC_tP7_123_ci_b_a:In-Ir-Yb +mp-601846,Yb2In8Ir,-3.4193020209,-0.3346546955,0.0,-0.0045097909,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:In-Ir-Yb,,"Invalid WP multiplicities - A8BC2_tP11_123_e2h3i_a_g:In-Ir-Yb, expected Yb2In18Ir to be Yb2In8Ir" +mp-4316,Sr(NiAs)2,-5.17629417,-0.6626934453000001,0.0,-0.0236663236,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ni-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Ni-Sr +mp-17396,SrNi5As3,-5.4668390217,-0.5148910141,0.0,-0.0532303106,GGA,Cmcm,A3B5C_oC36_63_cf_a2f_c:As-Ni-Sr,18.0,"Invalid WP multiplicities - A3B5C_oC36_63_2c3f_a4f_c:As-Ni-Sr, expected SrNi9As8 to be SrNi5As3" +mp-864945,MnBe2Rh,-6.415839325,-0.414552102,0.0,-0.0167807935,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Mn-Rh,4.0,A2BC_cF16_225_c_a_b:Be-Mn-Rh +mp-1100407,TaAsRu,-8.4790286167,0.1180709083,0.5132106322000001,0.5132106322000001,GGA,F-43m,ABC_cF12_216_a_b_c:As-Ru-Ta,3.0,ABC_cF12_216_a_b_c:As-Ru-Ta +mp-1213448,Gd2Sc3Ge4,-8.2004109286,-0.9068816825,0.0,-0.0572749759,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Gd-Ge-Sc,36.0,A2B4C3_oP36_62_d_2cd_cd:Gd-Ge-Sc +mp-4796,GdScGe,-9.0919861517,-0.7481130850000001,0.0,-0.0459299033,GGA,I4/mmm,ABC_tI12_139_e_e_c:Gd-Ge-Sc,6.0,ABC_tI12_139_e_e_c:Gd-Ge-Sc +mp-862735,SmAg2Sn,-3.9909641675,-0.3926466683,0.0470933007,0.0470933007,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sm-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Sm-Sn +mp-1219082,SmAgSn,-4.1909736783,-0.3374023472,0.212157433,0.212157433,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Sm-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Sm-Sn +mp-972511,Sm2AgSn,-4.597488155,-0.5276631229000001,0.0276906065,0.0276906065,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sm-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Sm-Sn +mp-1205500,Sm3(AgSn)4,-4.3105952118,-0.5356615902,0.0,-0.0837235482,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Sm-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Ag-Sm-Sn +mp-677132,Gd2CdSe4,-7.8469466879,-1.6956923806000002,0.1034876589,0.1034876589,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Gd-Se,14.0,AB2C4_tI28_122_a_d_e:Cd-Gd-Se +mp-865879,Li2AgAu,-2.8851375125,-0.4040665783,0.0,-0.02206854,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Li,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Li +mp-1095903,LiAg2Au,-1.595558605,1.1164206133,1.3875341467,1.3875341467,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Au-Li,4.0,A2BC_oI8_71_e_a_b:Ag-Au-Li +mp-1093804,LiAgAu2,-1.9930291275,0.82928159,1.1468225496,1.1468225496,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Li,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Li +mp-867113,Ca2AsAu,-3.9596475475,-0.9735975062,0.0232387544,0.0232387544,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Au-Ca,4.0,ABC2_cF16_225_a_b_c:As-Au-Ca +mp-3927,CaAsAu,-4.1829010983,-0.8700343367000001,0.0,-0.1238024248,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Au-Ca,6.0,ABC_hP6_194_c_d_a:As-Au-Ca +mp-567413,TbInPt,-5.4769558056,-0.9912280889,0.0,-0.1005692834,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-Tb,9.0,ABC_hP9_189_f_bc_g:In-Pt-Tb +mp-570630,Tb2In16Pt7,-4.3398801924,-0.5081359876,0.0198491376,0.0198491376,GGA,Cmmm,A16B7C2_oC50_65_hj2pq_agq_i:In-Pt-Tb,25.0,"Invalid WP multiplicities - A16B7C2_oC50_65_2h2j5p4q_ag2q_i:In-Pt-Tb, expected Tb2(In4Pt)11 to be Tb2In16Pt7" +mp-680468,Tb6In23Pt12,-4.6200609037,-0.621316459,0.0262783133,0.0262783133,GGA,C2/m,A23B12C6_mC82_12_a11i_6i_3i:In-Pt-Tb,41.0,"Invalid WP multiplicities - A23B12C6_mC82_12_a20i_12i_5i:In-Pt-Tb, expected Tb10In41Pt24 to be Tb6In23Pt12" +mp-1208691,Tb5(In2Pt)2,-5.0192260609,-0.8082413282,0.0,-0.0641378774,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Tb,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Tb +mp-1024984,TbInPt4,-6.0774013633,-0.798970845,0.0166188517,0.0166188517,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Pt-Tb,6.0,AB4C_cF24_216_a_e_c:In-Pt-Tb +mp-1210056,Tb3(In3Pt)4,-4.3022141147,-0.5544332547,0.0021525221,0.0021525221,GGA,P-3m1,A12B4C3_hP57_164_c2dgh3i_2i_adi:In-Pt-Tb,57.0,A12B4C3_hP57_164_c2dgh3i_2i_adi:In-Pt-Tb +mp-1025449,TbInPt2,-5.6934004463,-0.8113213288000001,0.1433980987,0.101735851,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:In-Pt-Tb,8.0,AB2C_hP8_194_c_f_a:In-Pt-Tb +mp-1092248,TbInPt2,-5.836798545,-0.9547194275,0.0,-0.0416622478,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:In-Pt-Tb,8.0,AB2C_hP8_194_a_f_c:In-Pt-Tb +mp-862760,PrCdAg2,-3.120072845,-0.2778459646,0.0,-2.2157e-05,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Pr,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Pr +mp-982010,Pr2CdAg,-3.60298962,-0.2736753017,0.0071379375,0.0071379375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Pr,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Pr +mp-1219763,Pu(AlGa)2,-5.8722365,-0.309200093,0.0,-0.025769604,GGA,Imma,A2B2C_oI20_74_ae_h_e:Al-Ga-Pu,10.0,A2B2C_oI20_74_ae_h_e:Al-Ga-Pu +mp-1097410,AlCrOs2,-5.21531094,3.7480286,3.9589432213,3.9589432213,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cr-Os,4.0,ABC2_oI8_71_a_b_e:Al-Cr-Os +mp-1192485,Yb(Al5Os)2,-5.1403900354,-0.4134591554,0.0,-0.0439999177,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Os-Yb,,A10B2C_oC52_63_e2f2g_d_c:Al-Os-Yb +mp-1096617,MnZnPt2,-3.7387760175,1.902230368,2.3579729875,2.3579729875,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Pt-Zn,4.0,AB2C_oI8_71_a_e_b:Mn-Pt-Zn +mp-1186015,MnZnPt2,-6.08689723,-0.4458908445,0.009851775,0.009851775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Pt-Zn,4.0,AB2C_cF16_225_a_c_b:Mn-Pt-Zn +mp-1095878,MnZn2Pt,-2.774884735,1.6632742230000002,2.0134744355,2.0134744355,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Mn-Pt-Zn +mp-1192664,Ce6Mg23As,-2.685203366,-0.1164002165,0.0,-0.002232494,GGA,Fm-3m,AB6C23_cF120_225_a_e_bd2f:As-Ce-Mg,30.0,AB6C23_cF120_225_a_e_bd2f:As-Ce-Mg +mp-1185001,Li2AcAl,-3.023313335,-0.1021641923,0.0200234344,0.0200234344,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Al-Li,4.0,ABC2_cF16_225_a_b_c:Ac-Al-Li +mp-862617,AcAl3,-4.1910653238,-0.3515896994,0.0,-0.3515896994,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Al,8.0,AB3_hP8_194_c_h:Ac-Al +mp-1097324,Hf2ZnHg,-2.44095873,2.9284917788,3.0781444208,3.0781444208,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Hg-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Hg-Zn +mp-1097166,LiZnGa2,-1.18600229,1.1202123404,1.3120530692,1.3120530692,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Li-Zn,4.0,A2BC_oI8_71_e_a_b:Ga-Li-Zn +mp-1096442,Li2ZnGa,-0.96897772,1.0574436215,1.331998373,1.331998373,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Li-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Li-Zn +mp-1225288,Dy2Al3Cu,-4.5577837,-0.46619906,0.0186744931,0.0186744931,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Cu-Dy,6.0,A3BC2_hR18_166_d_a_c:Al-Cu-Dy +mp-1194170,Dy6Al7Cu16,-4.4874027207000005,-0.3685386321,0.0,-0.0384941902,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Dy,29.0,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Dy +mp-1225285,DyAlCu,-4.5354728967,-0.3849497833,0.0679654211,0.0158528933,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Dy,6.0,ABC_oI12_74_a_c_e:Al-Cu-Dy +mp-1078857,DyAlCu,-4.6034383178,-0.4529152044,0.0,-0.0521125278,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Dy,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Dy +mp-984726,Dy(Al2Cu)4,-4.2312066623,-0.3105743423,0.0,-0.0229865369,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Dy,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cu-Dy, expected Dy(Al3Cu)4 to be Dy(Al2Cu)4" +mp-1225316,DyAlCu4,-4.3742996533,-0.2494347617,0.0394071249,0.0394071249,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Dy,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Dy +mp-1225665,Dy(AlCu)6,-4.3271547362,-0.3521176715,0.0,-0.061369461,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Dy,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Dy +mp-1222082,Mg6CdIn,-1.7422955562,-0.0827638325,0.0,-0.0001763237,GGA,P-6m2,ABC6_hP8_187_a_d_jk:Cd-In-Mg,8.0,ABC6_hP8_187_a_d_jk:Cd-In-Mg +mp-1097199,Mg2CdIn,-0.6089657350000001,1.1098176625,1.189017678,1.189017678,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-In-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-In-Mg +mp-8528,Tm(SiRh)2,-7.120282614,-1.1092651693,0.0,-0.2222004488,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-Tm +mp-15308,TmSi3Rh5,-7.3540012387,-0.9569646983,0.0,-0.0714295718,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Rh-Si-Tm,54.0,"Invalid WP multiplicities - A5B3C_hP54_176_8h_4h_h:Rh-Si-Tm, expected Tm(SiRh2)4 to be TmSi3Rh5" +mp-1220457,Nd10(SiGe)3,-5.4956040131,-0.6314470144000001,0.0014862081,0.0014862081,GGA,P-62m,A3B10C3_hP16_189_f_fgh_g:Ge-Nd-Si,16.0,A3B10C3_hP16_189_f_fgh_g:Ge-Nd-Si +mp-1077182,NdSiGe,-5.5119610033,-0.5731298975,0.0452727083,0.0452727083,GGA,Imma,ABC_oI12_74_e_e_e:Ge-Nd-Si,6.0,ABC_oI12_74_e_e_e:Ge-Nd-Si +mp-1208501,Tb6Ti4Al43,-4.50260809,-0.3432132719,0.0,-0.0257581528,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tb-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tb-Ti +mp-984534,Dy2OsPd,-6.955441175,-0.550235445,0.0414114396,0.0414114396,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Os-Pd,4.0,A2BC_cF16_225_c_a_b:Dy-Os-Pd +mp-1095861,Hf2IrOs,-6.6956156700000005,3.2994292475,4.1278301825,4.1278301825,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Os,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Os +mp-1221704,MnCoPt2,-7.2882260675,-0.1850761357,0.0797292096,0.0797292096,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Co-Mn-Pt,4.0,ABC2_tP4_123_a_b_h:Co-Mn-Pt +mp-1185400,LiPr2Rh,-5.02170312,-0.3129425583,0.0706669702,0.0706669702,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pr-Rh,4.0,AB2C_cF16_225_a_c_b:Li-Pr-Rh +mp-568244,TlSn2Br5,-3.4629728638,-1.1946068004,0.0,-0.002509495,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Br-Sn-Tl,16.0,"Invalid WP multiplicities - A5B2C_tI32_140_2c3l_h_a:Br-Sn-Tl, expected Tl(SnBr7)2 to be TlSn2Br5" +mp-862819,PaInAu2,-5.1178689325,-0.414340835,0.0,-0.1176035667,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Pa,4.0,A2BC_cF16_225_c_a_b:Au-In-Pa +mp-1093726,BiPd2Au,-2.8525403,1.5159933875,1.7506236749,1.7506236749,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Bi-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Bi-Pd +mp-1183442,BiPd2Au,-4.59500919,-0.2264755025,0.0081547849,0.0081547849,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Pd +mp-8601,Te4Mo3,-6.9383989529,-0.4940883952,0.0,-0.0169127571,GGA,R-3,A3B4_hR42_148_f_cf:Mo-Te,14.0,A3B4_hR42_148_f_cf:Mo-Te +mp-7459,Te2Mo,-6.2526729158,-0.5419189503,0.0147859608,-0.1576279762,GGA,P2_1/m,AB2_mP12_11_2e_4e:Mo-Te,12.0,AB2_mP12_11_2e_4e:Mo-Te +mp-1120746,Te2Mo,-6.2487851017,-0.5380311361,0.018673775,-0.153740162,GGA,P2_1/m,AB2_mP6_11_e_2e:Mo-Te,6.0,AB2_mP6_11_e_2e:Mo-Te +mp-1030319,Te2Mo,-6.2674588767,-0.5567049111,0.0,-0.172413937,GGA,P-3m1,AB2_hP12_164_2d_4d:Mo-Te,12.0,"Invalid WP multiplicities - AB2_hP12_164_3d_8d:Mo-Te, expected Te8Mo3 to be Te2Mo" +mp-1023938,Te2Mo,-6.2662603183,-0.5555063528,0.0011985583,-0.1712153787,GGA,P-3m1,AB2_hP6_164_d_2d:Mo-Te,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_4d:Mo-Te, expected Te4Mo to be Te2Mo" +mp-1023935,Te2Mo,-6.26403379,-0.5532798244,0.0034250867,-0.1689888504,GGA,P-6m2,AB2_hP3_187_a_h:Mo-Te,3.0,AB2_hP3_187_a_h:Mo-Te +mp-1025576,Te2Mo,-6.2670313456,-0.55627738,0.0004275311,-0.1719864059,GGA,P-6m2,AB2_hP9_187_ah_2gh:Mo-Te,9.0,"Invalid WP multiplicities - AB2_hP9_187_ah_3g2h:Mo-Te, expected Te10Mo3 to be Te2Mo" +mp-602,Te2Mo,-6.2661928867,-0.5554389211,0.00126599,-0.171147947,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mo-Te,6.0,AB2_hP6_194_c_f:Mo-Te +mp-1219145,Re(Te2Mo)2,-7.1392360643,-0.466514496,0.0106611421,0.0106611421,GGA,P1,A2BC4_aP14_1_4a_2a_8a:Mo-Re-Te,14.0,A2BC4_aP14_1_4a_2a_8a:Mo-Re-Te +mp-1120748,TeMo,-6.9681637,0.0263143017,0.4586416475,0.4586416475,GGA,P6_3/mmc,AB_hP4_194_a_c:Mo-Te,4.0,AB_hP4_194_a_c:Mo-Te +mp-1179059,TeMo6,-9.399889225,0.3454259969,0.4689480957,0.4689480957,GGA,Cmce,A6B_oC28_64_dg_a:Mo-Te,14.0,A6B_oC28_64_dg_a:Mo-Te +mp-1237627,TeMo6,-7.998410834299999,1.7469043876,1.8704264864,1.8704264864,GGA,Fmmm,A6B_oF28_69_gl_a:Mo-Te,7.0,A6B_oF28_69_gl_a:Mo-Te +mp-1105049,TeMo6,-9.2903164221,0.4549987998,0.5785208986,0.5785208986,GGA,I4/mmm,A6B_tI14_139_eg_a:Mo-Te,14.0,A6B_tI14_139_eg_a:Mo-Te +mp-1219913,Pr2CuAg,-4.303374825,-0.1799812792,0.0180337175,0.0180337175,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Cu-Pr,4.0,ABC2_tP4_123_a_b_h:Ag-Cu-Pr +mp-864769,LiYb2Tl,-2.1070534525,-0.2693578092,0.0,-0.0058924024,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tl-Yb,,ABC2_cF16_225_a_b_c:Li-Tl-Yb +mp-1185186,Li2YbTl,-2.1622542425,-0.2322299525,0.0171710762,0.0171710762,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Tl-Yb,,A2BC_cF16_225_c_a_b:Li-Tl-Yb +mp-1185439,LiYbTl2,-2.3960365375,-0.3525821775,0.005380145,0.005380145,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Tl-Yb,,AB2C_cF16_225_a_c_b:Li-Tl-Yb +mp-977378,ErCdAg2,-3.0722904275,-0.2833602833,0.0,-0.0178132628,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Er,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Er +mp-1193183,Hf9Re4Ni,-10.7239075386,-0.3544113464,0.0,-0.0640335599,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-Ni-Re,28.0,A9BC4_hP28_194_hk_c_ah:Hf-Ni-Re +mp-977544,Hf2ReNi,-9.9660225775,-0.4312620963,0.0252283609,0.0252283609,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ni-Re,4.0,A2BC_cF16_225_c_a_b:Hf-Ni-Re +mp-998744,TlGeCl3,-3.75932138,-1.2530651837,0.0,-0.0133214005,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-Ge-Tl,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-Ge-Tl, expected TlGeCl5 to be TlGeCl3" +mp-865121,NaSrAu2,-2.9545089975,-0.5645633108,0.0130196211,0.0130196211,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Sr,4.0,A2BC_cF16_225_c_a_b:Au-Na-Sr +mp-1208240,Tm6InCo2,-5.1639020689,-0.2946429733,0.0,-0.0410323514,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Tm,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-In-Tm +mp-1192642,Tm8In3Co,-4.6151445454,-0.3509735144,0.0,-0.0300037144,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-In-Tm,24.0,AB3C8_hP24_186_b_c_ab2c:Co-In-Tm +mp-637436,Tm10In20Co9,-4.4900779049,-0.2909269052,0.0315979302,0.0315979302,GGA,P4/nmm,A9B20C10_tP78_129_aij_gh2ij_2cij:Co-In-Tm,78.0,"Invalid WP multiplicities - A9B20C10_tP78_129_2a5i5j_6g8h14i8j_4c4i4j:Co-In-Tm, expected Tm6In24Co7 to be Tm10In20Co9" +mp-1206804,Tm3(In2Co)2,-4.6680170811,-0.3734752167,0.0,-0.0364676428,GGA,P-6,A2B4C3_hP9_174_ad_ej_k:Co-In-Tm,9.0,A2B4C3_hP9_174_ad_ej_k:Co-In-Tm +mp-1207201,TmInCo4,-6.1094506333,-0.1659855778,0.0232029227,0.0232029227,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-In-Tm,6.0,A4BC_cF24_216_e_a_c:Co-In-Tm +mp-646456,Tm2In8Co,-3.7179020455,-0.2566785471,0.0072017708,0.0072017708,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Tm,11.0,"Invalid WP multiplicities - AB8C2_tP11_123_a_2e2h3i_g:Co-In-Tm, expected Tm2In20Co to be Tm2In8Co" +mp-19911,TmIn5Co,-3.8220512514,-0.2016838417,0.0081630155,0.0081630155,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Tm,7.0,AB5C_tP7_123_b_ci_a:Co-In-Tm +mp-1218537,SrAgGe,-3.460528542,-0.4121694381,0.0178540544,0.0178540544,GGA,Cm,ABC_mC30_8_5a_5a_5a:Ag-Ge-Sr,15.0,ABC_mC30_8_5a_5a_5a:Ag-Ge-Sr +mp-7879,Sr(AgGe)2,-3.661264484,-0.34113225,0.0,-0.0442268427,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Ge-Sr,5.0,A2B2C_tI10_139_d_e_a:Ag-Ge-Sr +mp-866025,CsCr5Te8,-5.8771290736,-0.5694800115,0.0,-0.0303453886,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Cs-Te,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-Cs-Te +mp-976595,LiLu2In,-3.65356536,-0.2279384508,0.0245014123,0.0245014123,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Lu,4.0,ABC2_cF16_225_a_b_c:In-Li-Lu +mp-1185369,LiLuIn2,-3.3291572875,-0.3458470758,0.0,-0.0052867208,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Lu,4.0,A2BC_cF16_225_c_a_b:In-Li-Lu +mp-1184968,Li2LuIn,-3.01676184,-0.2441418442,0.011883511,0.011883511,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Lu,4.0,AB2C_cF16_225_a_c_b:In-Li-Lu +mp-1102476,TbAsSe,-5.8654034283000005,-1.6022714341,0.0,-0.0648009392,GGA,Pnma,ABC_oP12_62_c_c_c:As-Se-Tb,12.0,ABC_oP12_62_c_c_c:As-Se-Tb +mp-1183061,Ac2ZnSn,-3.814082895,-0.436166525,0.0,-0.1796730964,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Sn-Zn +mp-1184227,ErMg2Sc,-3.5691731325,-0.0439861287,0.0095858425,0.0095858425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Sc,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Sc +mp-11786,YbPrSe3,-5.273157256,-1.9115075624,0.184582835,0.184582835,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Pr-Se-Yb,,AB3C_oC20_63_c_cf_a:Pr-Se-Yb +mp-1215444,YbPrSe2,-5.5068901425,-2.1788058949,0.018266255,0.018266255,GGA,R-3m,AB2C_hR12_166_a_c_b:Pr-Se-Yb,,AB2C_hR12_166_a_c_b:Pr-Se-Yb +mp-531712,YbPr11Se16,-6.0784389855,-2.1475762988,0.0156679077,0.0156679077,GGA,P2_12_12,A11B16C_oP56_18_a5c_8c_b:Pr-Se-Yb,,"Invalid WP multiplicities - A11B16C_oP56_18_2a19c_27c_b:Pr-Se-Yb, expected Yb(Pr20Se27)2 to be YbPr11Se16" +mp-867862,SmMgAg2,-3.2991366825,-0.3031421346,0.0,-0.0392349675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Sm +mp-1095154,SmMgAg,-3.3160644989,-0.2655904361,0.0,-0.0302906439,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Sm,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Sm +mp-11235,SmMg2Ag,-2.7966909675,-0.1087654079,0.1009305711,0.1009305711,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Sm +mp-864831,NbZnRh2,-6.986487595,-0.4640714975,0.0,-0.0500941213,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Nb-Rh-Zn +mp-1187928,Yb2ZnAg,-2.1609196425,-0.3680405992,0.0027965975,0.0027965975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Yb-Zn,,AB2C_cF16_225_a_c_b:Ag-Yb-Zn +mp-1220655,Nd9Al5Se21,-5.6707949463,-1.8120707442,0.0,-0.0194473905,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Nd-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Nd-Se, expected Nd24Al5Se51 to be Nd9Al5Se21" +mp-30341,TiAgHg2,-2.727473425,0.1063787625,0.1406292458,0.1406292458,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ag-Hg-Ti,4.0,AB2C_tP4_123_a_e_c:Ag-Hg-Ti +mp-21408,Gd(SiOs)2,-10.191293156,-0.7149945240000001,0.0,-0.2563083193,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Os-Si +mp-1025236,Sc(TiGa2)2,-5.4076725757,-0.516838686,0.0011790725,0.0011790725,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Sc-Ti,7.0,A4BC2_tI14_139_h_a_d:Ga-Sc-Ti +mp-1185483,Lu(Mg4Al3)4,-2.6468815393,-0.0581801159,0.0205137697,0.0205137697,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Lu-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b4c:Al-Lu-Mg, expected LuMg49Al39 to be Lu(Mg4Al3)4" +mp-983411,Lu(Mg4Al3)4,-2.6554332676,-0.0667318441,0.0119620414,0.0119620414,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Lu-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c3g:Al-Lu-Mg, expected Lu(Mg4Al)12 to be Lu(Mg4Al3)4" +mp-865238,Lu2MgAl,-3.839378945,-0.242439715,0.0,-0.0192668278,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Lu-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Lu-Mg +mp-1209346,PrSiIr,-7.2938443517,-0.94562503,0.0,-0.1266209364,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-Pr-Si,12.0,ABC_cP12_198_a_a_a:Ir-Pr-Si +mp-1209310,PrSi2Ir3,-7.9664775967,-0.9420035375,0.0,-0.2042359098,GGA,Imma,A3BC2_oI24_74_ag_e_i:Ir-Pr-Si,12.0,A3BC2_oI24_74_ag_e_i:Ir-Pr-Si +mp-1103272,ZrSiNi,-7.4705630267,-0.8861779133000001,0.0,-0.0825149039,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-Zr,12.0,ABC_oP12_62_c_c_c:Ni-Si-Zr +mp-7707,Zr(SiNi)2,-6.98550644,-0.79378443,0.0,-0.0546395442,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Zr,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Zr +mp-1189144,Zr2Si4Ni3,-6.9987050878,-0.7612513744,0.0003125103,0.0003125103,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Ni-Si-Zr,18.0,A3B4C2_oC36_64_ae_ef_f:Ni-Si-Zr +mp-1215654,Zr2Si7Ni3,-6.4074541292,-0.3730343367,0.1981385769,0.1981385769,GGA,I4mm,A3B7C2_tI24_107_ab_3a2b_2a:Ni-Si-Zr,12.0,A3B7C2_tI24_107_ab_3a2b_2a:Ni-Si-Zr +mp-1215663,Zr2SiNi3,-7.2748805675,-0.6313590125,0.0405040704,0.0405040704,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Ni-Si-Zr,12.0,A3BC2_hP12_194_h_a_f:Ni-Si-Zr +mp-570166,Zr6Si7Ni16,-7.0158849341,-0.7487946972,0.0,-0.0923552411,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ni-Si-Zr,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_9f_a2d_e:Ni-Si-Zr, expected Zr6Si13Ni72 to be Zr6Si7Ni16" +mp-631320,TcIrOs,-9.5973559567,0.544790895,0.69045668,0.69045668,GGA,F-43m,ABC_cF12_216_a_b_c:Ir-Os-Tc,3.0,ABC_cF12_216_a_b_c:Ir-Os-Tc +mp-1183063,Ac2CdGe,-3.84283781,-0.3957709025,0.0,-0.1588416067,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cd-Ge,4.0,A2BC_cF16_225_c_a_b:Ac-Cd-Ge +mp-1184585,Ho2CuOs,-6.4099526,-0.28710464,0.0010100603,0.0010100603,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Os +mp-1186575,PmEuPd2,-7.073189795,-0.7313628594,0.0,-0.1043790944,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Eu-Pd-Pm +mp-1217327,ThMn2Ni3,-7.40247653,-0.222760051,0.0665668161,0.0665668161,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Mn-Ni-Th,6.0,A2B3C_hP6_191_c_g_a:Mn-Ni-Th +mp-1217318,ThMn3Ni2,-7.80355827,-0.0601953556,0.1566173594,0.1566173594,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Mn-Ni-Th,6.0,A3B2C_hP6_191_g_c_a:Mn-Ni-Th +mp-1096000,ZrTaRe2,-6.796923425,4.5267097325,4.836545284,4.836545284,GGA,Immm,A2BC_oI8_71_e_a_b:Re-Ta-Zr,4.0,A2BC_oI8_71_e_a_b:Re-Ta-Zr +mp-1227390,BaTlIn3,-2.8205625640000003,-0.3132287087,0.0122789025,0.0122789025,GGA,I-4m2,AB3C_tI10_119_c_af_b:Ba-In-Tl,5.0,AB3C_tI10_119_c_af_b:Ba-In-Tl +mp-1093785,Ba2TlIn,-1.130321545,1.1077476442,1.4726062917,1.4726062917,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-In-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-In-Tl +mp-1183776,CeErIn2,-4.398864255,-0.3978203988,0.0,-0.035253485,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Er-In,4.0,ABC2_cF16_225_a_b_c:Ce-Er-In +mp-567598,Dy7(TeIr)2,-6.0296150045,-0.9195251839,0.0413360059,0.0413360059,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Dy-Ir-Te,11.0,"Invalid WP multiplicities - A7B2C2_oI22_44_a5c_c_ab:Dy-Ir-Te, expected Dy11(TeIr)2 to be Dy7(TeIr)2" +mp-861909,CdGaRh2,-5.0366455275,-0.3667451469,0.0,-0.02676537,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Ga-Rh +mp-1212975,Dy4MgRu,-5.1291658017,-0.2455274767,0.0,-0.00303636,GGA,F-43m,A4BC_cF96_216_efg_e_e:Dy-Mg-Ru,24.0,A4BC_cF96_216_efg_e_e:Dy-Mg-Ru +mp-1198232,Nd4Rh6Pb19,-4.8785030772,-0.2647537228,0.0,-0.0093775029,GGA,I4_1/acd,A4B19C6_tI232_142_g_be2f3g_dg:Nd-Pb-Rh,116.0,A4B19C6_tI232_142_g_be2f3g_dg:Nd-Pb-Rh +mp-1210683,Nd4Rh6Pb19,-4.6226190776,-0.0088697231,0.2558839997,0.2465064967,GGA,I23,A4B19C6_cI58_197_c_adf_e:Nd-Pb-Rh,29.0,A4B19C6_cI58_197_c_adf_e:Nd-Pb-Rh +mp-756732,Rb3Sn4Au,-3.0037688887,-0.2220474341,0.1148026144,0.0335468384,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-Rb-Sn,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_2be_2e3f:Au-Rb-Sn, expected Rb4Sn10Au to be Rb3Sn4Au" +mp-17401,Rb3Sn4Au,-3.1185715031,-0.3368500484,0.0,-0.081255776,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-Rb-Sn,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_be_2ef:Au-Rb-Sn, expected Rb3Sn6Au to be Rb3Sn4Au" +mp-1212358,Rb(SnAu)4,-3.2244876122,0.1215512203,0.35823657,0.35823657,GGA,Fddd,A4BC4_oF144_70_2h_c_2h:Au-Rb-Sn,,A4BC4_oF144_70_2h_c_2h:Au-Rb-Sn +mp-30416,Rb4Sn2Au7,-3.0356793808,-0.3542598423,0.0,-0.0654724541,GGA,R-3m,A7B4C2_hR39_166_ah_2c_c:Au-Rb-Sn,13.0,A7B4C2_hR39_166_ah_2c_c:Au-Rb-Sn +mp-4852,Ni(RhSe2)2,-5.5337983,-0.6063128242,0.0423986613,0.0423986613,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Ni-Rh-Se,7.0,AB2C4_mC14_12_a_i_2i:Ni-Rh-Se +mp-569006,Sr(AsRh)2,-5.941083458,-0.7938142573,0.0,-0.039483496,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Rh-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Rh-Sr +mp-1218700,Sr6As19Rh30,-6.4704475287,-0.6597303194,0.0,-0.0431281357,GGA,P3,A19B30C6_hP55_143_a6d_10d_2d:As-Rh-Sr,55.0,A19B30C6_hP55_143_a6d_10d_2d:As-Rh-Sr +mp-16045,Sr(As2Rh3)2,-6.4878387509,-0.6231283606,0.0058960973,0.0058960973,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:As-Rh-Sr,11.0,"Invalid WP multiplicities - A4B6C_hP11_187_a2k_j2k_c:As-Rh-Sr, expected SrAs7Rh9 to be Sr(As2Rh3)2" +mp-650026,PrIn2Cl5,-4.3938188575,-1.9529492931,0.0,-0.0135762192,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-In-Pr,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_10c4d_d_c:Cl-In-Pr, expected Pr(InCl9)2 to be PrIn2Cl5" +mp-1078650,LiLuSn2,-3.9207980875,-0.3085438133,0.1884508721,0.1884508721,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Li-Lu-Sn,8.0,ABC2_oC16_63_c_c_2c:Li-Lu-Sn +mp-1190624,LiLuSn,-4.0806769292,-0.6008618486,0.0,-0.0561119682,GGA,P6_3mc,ABC_hP24_186_bc_ac_bc:Li-Lu-Sn,24.0,ABC_hP24_186_bc_ac_bc:Li-Lu-Sn +mp-510593,Dy5CoSb2,-5.5542369956,-0.7542051863,0.0,-0.0347839244,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Co-Dy-Sb,32.0,AB5C2_oP32_62_c_3cd_d:Co-Dy-Sb +mp-1217712,Tb2NiSb4,-5.3642035414,-0.85493585,0.0,-0.0088220229,GGA,P-4m2,AB4C2_tP7_115_c_abg_g:Ni-Sb-Tb,7.0,AB4C2_tP7_115_c_abg_g:Ni-Sb-Tb +mp-3716,TbNiSb,-5.81437622,-0.9665415467,0.0,-0.1287930029,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Tb,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Tb +mp-1208414,Tb5Ni2Sb,-5.4035353556,-0.5458972181,0.0151782946,0.0151782946,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Ni-Sb-Tb,16.0,A2BC5_tI32_140_h_a_cl:Ni-Sb-Tb +mp-1079028,TbNiSb2,-5.4528286937,-0.7847023787,0.0170033038,0.0170033038,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ni-Sb-Tb,8.0,AB2C_tP8_129_a_bc_c:Ni-Sb-Tb +mp-1086656,Tb(NiSb)2,-5.545909346,-0.6553809580000001,0.071222844,0.071222844,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ni-Sb-Tb,10.0,A2B2C_tP10_129_ac_bc_c:Ni-Sb-Tb +mp-961695,LaCoTe,-5.9393205167000005,-0.8767769189,0.3262663117,0.3262663117,GGA,F-43m,ABC_cF12_216_c_a_b:Co-La-Te,3.0,ABC_cF12_216_c_a_b:Co-La-Te +mp-504900,Eu(SbPd)2,-6.6429998900000005,-0.86804631,0.0,-0.069085318,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Eu-Pd-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Eu-Pd-Sb +mp-1213420,Eu2(SbPd)3,-4.9399463563,1.1151352375,2.0226232862,2.0226232862,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Eu-Pd-Sb,8.0,A2B3C3_tP8_123_g_ag_bg:Eu-Pd-Sb +mp-1101822,EuSbPd,-7.4951858967,-0.97322428,0.0,-0.0627506654,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Pd-Sb,12.0,ABC_oP12_62_c_c_c:Eu-Pd-Sb +mp-865794,LaYbHg2,-2.3625799725,-0.5918359437,0.0,-0.0230604875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Yb,,A2BC_cF16_225_c_a_b:Hg-La-Yb +mp-4437,NdTe2Se,-5.1160108525,-1.4783431783,0.0,-0.0793455141,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Nd-Se-Te,8.0,ABC2_oC16_63_c_c_2c:Nd-Se-Te +mp-1103960,Pr(Mo3Se4)2,-7.4910151147,-0.9695418989,0.033960865,0.033960865,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Pr-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Pr-Se +mp-685447,Pr5(Mo3Se4)12,-7.478743838,-0.9377136845,0.0411104524,0.0411104524,GGA,P-1,A36B5C48_aP178_2_36i_ab4i_48i:Mo-Pr-Se,178.0,"Invalid WP multiplicities - A36B5C48_aP178_2_71i_ab8i_96i:Mo-Pr-Se, expected Pr9Mo71Se96 to be Pr5(Mo3Se4)12" +mp-1224324,Hf2Al3Ag,-6.0230362983,-0.3590927061,0.0,-0.0020789001,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ag-Al-Hf,6.0,AB3C2_hR18_166_a_d_c:Ag-Al-Hf +mp-1209836,NdZnGe,-4.2429026633,-0.6925963642,0.0,-0.0771676601,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Nd-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Nd-Zn +mp-11667,Nd2(Zn2Ge)3,-3.23517686,-0.4202823064,0.0,-0.0199840558,GGA,P-62m,A3B2C6_hP11_189_f_d_fg:Ge-Nd-Zn,11.0,"Invalid WP multiplicities - A3B2C6_hP11_189_f_d_2f2g:Ge-Nd-Zn, expected Nd2(Zn4Ge)3 to be Nd2(Zn2Ge)3" +mp-17935,Nd2(ZnGe2)3,-4.1123022695,-0.3801483764,0.0114796895,0.0114796895,GGA,Cmcm,A6B2C3_oC44_63_2ch_2c_ce:Ge-Nd-Zn,22.0,"Invalid WP multiplicities - A6B2C3_oC44_63_4c3h_3c_2c2e:Ge-Nd-Zn, expected Nd3(Zn3Ge8)2 to be Nd2(ZnGe2)3" +mp-542178,Nd2Zn15Ge2,-2.2050013232,-0.2219221271,0.0412662756,0.0412662756,GGA,R-3m,A2B2C15_hR57_166_c_c_dfh:Ge-Nd-Zn,19.0,A2B2C15_hR57_166_c_c_dfh:Ge-Nd-Zn +mp-1185653,Mg16Al12Cl,-2.54584042,-0.0492911986,0.093092516,0.093092516,GGA,P1,A12BC16_aP29_1_12a_a_16a:Al-Cl-Mg,29.0,A12BC16_aP29_1_12a_a_16a:Al-Cl-Mg +mp-1185654,Mg16Al12Cl,-2.549349851,-0.0528006297,0.089583085,0.089583085,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Cl-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-Cl-Mg, expected Mg60Al12Cl to be Mg16Al12Cl" +mp-542463,Mg(AlCl4)2,-4.2339842605,-2.0631001705,0.0,-0.0155496123,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-Mg,22.0,A2B8C_mC44_15_f_4f_e:Al-Cl-Mg +mp-1095868,Mg2GaAu,-1.3770241875,0.9986103431,1.3921508349,1.3921508349,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ga-Mg,4.0,ABC2_oI8_71_a_b_e:Au-Ga-Mg +mp-1095892,MgGaAu2,-2.17242319,0.6216118281,1.0513241637,1.0405275336,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ga-Mg,4.0,A2BC_oI8_71_e_a_b:Au-Ga-Mg +mp-1079175,MgGaAu2,-3.2237473537,-0.4297123356,0.0,-0.0107966301,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Au-Ga-Mg,8.0,A2BC_hP8_194_f_a_c:Au-Ga-Mg +mp-1080605,MgGaAu,-3.07170688,-0.4376208558,0.0,-0.0328975558,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Ga-Mg,9.0,ABC_hP9_189_ad_g_f:Au-Ga-Mg +mp-1217674,Tb2SiGe,-5.653730465,-0.8244609438,0.0076320125,0.0076320125,GGA,Amm2,ABC2_oC8_38_a_b_ab:Ge-Si-Tb,4.0,ABC2_oC8_38_a_b_ab:Ge-Si-Tb +mp-1217697,Tb2Si3Ge,-5.5267072133,-0.4987548558,0.0680201278,0.0680201278,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Ge-Si-Tb,6.0,AB3C2_oI12_44_a_a2b_ab:Ge-Si-Tb +mp-1217620,Tb4Si3Ge,-5.733998615,-0.8044428219,0.0061468175,0.0061468175,GGA,Pmm2,AB3C4_oP8_25_a_bcd_abcd:Ge-Si-Tb,8.0,AB3C4_oP8_25_a_bcd_abcd:Ge-Si-Tb +mp-975044,Li(SiRh)2,-6.223479978,-0.7258450447,0.0,-0.027641608,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Li-Rh-Si,10.0,AB2C2_tP10_127_a_h_g:Li-Rh-Si +mp-867902,LiSiRh2,-6.3519475575,-0.8362333983,0.0,-0.2828152217,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Si,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Si +mp-574169,TiGeTe6,-4.5428301444,-0.6205357404,0.0,-0.1779275281,GGA,C2/m,AB6C_mC32_12_i_6i_i:Ge-Te-Ti,16.0,"Invalid WP multiplicities - AB6C_mC32_12_i_10i_i:Ge-Te-Ti, expected TiGeTe10 to be TiGeTe6" +mp-1096641,Be2TcPt,-3.182566595,2.7950829038,3.1608241651,3.1608241651,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-Tc,4.0,A2BC_oI8_71_e_a_b:Be-Pt-Tc +mp-865681,TiSiRu2,-8.8577192875,-0.8903155058000001,0.0,-0.2019576469,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Si-Ti,4.0,A2BC_cF16_225_c_a_b:Ru-Si-Ti +mp-11560,TiSiRu,-8.3880615989,-0.85632407,0.0,-0.0183326514,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Ru-Si-Ti,18.0,"Invalid WP multiplicities - ABC_oI36_46_ac_2b2c_5b:Ru-Si-Ti, expected Ti5(Si2Ru)3 to be TiSiRu" +mp-505822,TiSiRu,-8.3263541175,-0.7946165886000001,0.0617074814,0.04337483,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Si-Ti,12.0,ABC_oP12_62_c_c_c:Ru-Si-Ti +mp-1096718,Ta2NbMo,-6.4096022,4.7560254025,4.8152028325,4.8152028325,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-Ta,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-Ta +mp-1217902,TaNbMo,-11.0138141667,-0.07890324,0.0,-0.00745489,GGA,Fmm2,ABC_oF12_42_a_a_a:Mo-Nb-Ta,3.0,ABC_oF12_42_a_a_a:Mo-Nb-Ta +mp-1096306,TaNbMo2,-6.3409021725,4.57169355,4.66242959,4.66242959,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Nb-Ta,4.0,A2BC_oI8_71_e_a_b:Mo-Nb-Ta +mp-1095950,TaNb2Mo,-6.1194934675,4.6070159875000005,4.6661934175,4.6661934175,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Ta,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Ta +mp-631532,BaBe2Te,-2.7184943325,0.4167823083,1.4185696375,1.4185696375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Be-Te,4.0,AB2C_cF16_225_a_c_b:Ba-Be-Te +mp-639263,Ce3MnBi5,-5.6574347617,-0.5281316053,0.0559870286,0.0559870286,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Bi-Ce-Mn,18.0,"Invalid WP multiplicities - A5B3C_hP18_193_3d3g_g_b:Bi-Ce-Mn, expected Ce3MnBi15 to be Ce3MnBi5" +mp-862951,PmPbAu2,-4.3649529525,-0.6122146044,0.0,-0.1371251458,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Pb-Pm +mp-1223179,LaCeIn6,-3.8651113425,-0.4427115125,0.0,-0.0029464575,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ce-In-La,8.0,AB6C_tP8_123_a_cdi_b:Ce-In-La +mp-865131,Hf2OsRh,-10.41569051,-0.78917717,0.0,-0.0055742175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Os-Rh,4.0,A2BC_cF16_225_c_a_b:Hf-Os-Rh +mp-1093946,BeGeIr2,-3.8212958625,2.6885314075,3.0063812254,3.0063812254,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ge-Ir,4.0,ABC2_oI8_71_a_b_e:Be-Ge-Ir +mp-861965,Ho2RuRh,-7.1072095025,-0.656327465,0.0,-0.0199769718,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Rh-Ru +mp-865209,TmHfOs2,-9.65471185,-0.4327720217,0.0940116798,0.0940116798,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Os-Tm,4.0,AB2C_cF16_225_a_c_b:Hf-Os-Tm +mp-9436,La3HfSb5,-6.1854631833,-1.1398835672,0.0,-0.0533864212,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Hf-La-Sb,18.0,AB3C5_hP18_193_b_g_dg:Hf-La-Sb +mp-20128,Eu(MnAs)2,-8.09515766,-0.5153038212000001,0.0589001451,0.0589001451,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Eu-Mn,5.0,A2BC2_hP5_164_d_a_d:As-Eu-Mn +mp-862722,LiHoAu2,-3.9799275575,-0.7201536233,0.0020911283,0.0020911283,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ho-Li,4.0,A2BC_cF16_225_c_a_b:Au-Ho-Li +mp-21556,Ce3(InRu)2,-6.4379794604,-0.4592023168,0.0,-0.01980725,GGA,Pnma,A3B2C2_oP28_62_3c_2c_2c:Ce-In-Ru,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_3c_3c_3c:Ce-In-Ru, expected CeInRu to be Ce3(InRu)2" +mp-1206906,CeIn2Ru,-5.6100256338,-0.432310845,0.0,-0.0330856554,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ce-In-Ru,,AB2C_oC16_63_c_f_c:Ce-In-Ru +mp-645068,Ce2In3Ru2,-5.9598237743,-0.43553312,0.0,-0.0083247936,GGA,Pnma,A2B3C2_oP28_62_2c_3c_2c:Ce-In-Ru,28.0,"Invalid WP multiplicities - A2B3C2_oP28_62_4c_11c_7c:Ce-In-Ru, expected Ce4In11Ru7 to be Ce2In3Ru2" +mp-606102,Ce3In3Ru2,-6.0412226275,-0.4658321606,0.0,-0.017571707,GGA,C2/m,A3B3C2_mC16_12_ai_di_i:Ce-In-Ru,8.0,"Invalid WP multiplicities - A3B3C2_mC16_12_ai_c2i_i:Ce-In-Ru, expected Ce3In5Ru2 to be Ce3In3Ru2" +mp-1096258,Ta2TcOs,-6.9169475525,4.4089428563,4.8135841975,4.7955812314,GGA,Immm,AB2C_oI8_71_a_e_b:Os-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Os-Ta-Tc +mp-1187210,Ta2TcOs,-11.73053175,-0.4046413413,0.0,-0.0180029661,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Ta-Tc,4.0,AB2C_cF16_225_a_c_b:Os-Ta-Tc +mp-9251,TlTe3Pt2,-4.6315651292,-0.6424272181,0.0,-0.0776715097,GGA,P-3m1,A2B3C_hP12_164_ae_i_d:Pt-Te-Tl,12.0,A2B3C_hP12_164_ae_i_d:Pt-Te-Tl +mp-1225540,ErCdIn,-3.0921218833,-0.3446911167,0.004990344,0.004990344,GGA,P-3m1,ABC_hP6_164_d_c_d:Cd-Er-In,6.0,ABC_hP6_164_d_c_d:Cd-Er-In +mp-862981,Er2CdIn,-3.5916226175,-0.38911984,0.0,-0.01974501,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Er-In,4.0,AB2C_cF16_225_a_c_b:Cd-Er-In +mp-1208865,Sm3ZrSb5,-5.8633551833,-1.0468590461,0.0239811961,0.0239811961,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Sb-Sm-Zr,18.0,A5B3C_hP18_193_dg_g_b:Sb-Sm-Zr +mp-1191054,PrCd2Cu9,-3.7231061733,-0.0964773979,0.0,-0.0009468424,GGA,P4/mbm,A2B9C_tP24_127_g_cjk_a:Cd-Cu-Pr,24.0,A2B9C_tP24_127_g_cjk_a:Cd-Cu-Pr +mp-861595,Pr2CdCu2,-3.979029288,-0.242406366,0.000338267,0.000338267,GGA,C2/m,AB2C2_mC20_12_g_j_2i:Cd-Cu-Pr,10.0,AB2C2_mC20_12_g_j_2i:Cd-Cu-Pr +mp-1084809,PrCdCu,-3.5243136789,-0.2566462839,0.0104022053,0.0104022053,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Cu-Pr,9.0,ABC_hP9_189_f_bc_g:Cd-Cu-Pr +mp-1223821,HoZrCo4,-7.165088645,-0.2378585317,0.0295415567,0.0295415567,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ho-Zr,6.0,A4BC_cF24_216_e_a_c:Co-Ho-Zr +mp-13007,PrCrGe3,-6.054520263,-0.393912905,0.034544735,0.034544735,GGA,P6_3/mmc,AB3C_hP10_194_a_h_c:Cr-Ge-Pr,10.0,AB3C_hP10_194_a_h_c:Cr-Ge-Pr +mp-1104089,Hf(Ni2As)2,-6.5520551436000005,-0.495487635,0.0,-0.0093961111,GGA,P4_2/mnm,A2BC4_tP14_136_f_a_i:As-Hf-Ni,14.0,A2BC4_tP14_136_f_a_i:As-Hf-Ni +mp-1212191,HfNiAs,-7.5938066683,-0.7949919633,0.0,-0.0297365714,GGA,Pnma,ABC_oP12_62_c_c_c:As-Hf-Ni,12.0,ABC_oP12_62_c_c_c:As-Hf-Ni +mp-1224437,Hf4Ni3As8,-6.9653006773,-0.6691597840000001,0.0191947174,0.0191947174,GGA,P-4m2,A8B4C3_tP15_115_ef2g_2g_abc:As-Hf-Ni,15.0,"Invalid WP multiplicities - A8B4C3_tP15_115_ef4g_4g_abc:As-Hf-Ni, expected Hf8(NiAs4)3 to be Hf4Ni3As8" +mp-1203331,Hf2(NiAs)3,-7.1086396675,-0.7046217531000001,0.0,-0.0339557965,GGA,Pnma,A3B2C3_oP32_62_3c_2c_3c:As-Hf-Ni,32.0,A3B2C3_oP32_62_3c_2c_3c:As-Hf-Ni +mp-1217911,TaOsSe4,-5.64905014,0.5290816884,1.3416971521,1.3416971521,GGA,P-6m2,AB4C_hP6_187_a_gh_d:Os-Se-Ta,6.0,"Invalid WP multiplicities - AB4C_hP6_187_a_2gh_d:Os-Se-Ta, expected TaOsSe6 to be TaOsSe4" +mp-1173144,Ta2OsSe6,-4.9000928678,1.3130617495,2.2325179592,2.2325179592,GGA,R32,AB6C2_hR54_155_c_3cf_ae:Os-Se-Ta,18.0,"Invalid WP multiplicities - AB6C2_hR54_155_c_5c3f_a2e:Os-Se-Ta, expected Ta7(OsSe14)2 to be Ta2OsSe6" +mp-865582,Li2CdPd,-2.8633215325,-0.3831672067,0.0,-0.0142483971,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Pd,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Pd +mp-867924,LiCdPd2,-3.743214895,-0.4453208333,0.0,-0.0214245075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Li-Pd +mp-867196,LiCd2Pd,-2.6385277025,-0.4048816533,0.0,-0.0743923363,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Pd +mp-1222788,LaLuAl4,-4.525419315,-0.4522091575,0.03946105,0.03946105,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-Lu,6.0,A4BC_cF24_216_e_a_c:Al-La-Lu +mp-973653,Lu2ZnAg,-3.6336265575,-0.3500763942,0.0,-0.0415518837,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Zn +mp-1095875,ScZnIr2,-4.0681607425,2.2491095263,2.8857197067,2.8857197067,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Sc-Zn,4.0,A2BC_oI8_71_e_a_b:Ir-Sc-Zn +mp-867233,Sc2ZnIr,-6.421737205,-0.7309582050000001,0.0,-0.010942485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Sc-Zn +mp-1189305,Sr3(AlAs2)2,-4.4318827561,-0.9656487961,0.0,-0.0330396361,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-As-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Al-As-Sr +mp-1192533,Sr3AlAs3,-4.3163727886,-1.0604568736,0.0,-0.0431538962,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Al-As-Sr,28.0,AB3C3_oC56_64_d_fg_fg:Al-As-Sr +mp-11157,SmMgGa,-3.6117942856,-0.4961402164,0.0,-0.0855047249,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Sm,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Sm +mp-22108,HoTiGe,-6.3937175567,-0.6934079761,0.0,-0.0201167979,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Ho-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Ho-Ti +mp-1206946,Ho2TiGe2,-4.673735452,0.5875376413,1.3706379751,1.3706379751,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Ho-Ti,5.0,A2B2C_tP5_123_g_g_a:Ge-Ho-Ti +mp-1103293,ZrSiOs,-9.208267195,-0.8081384983000001,0.0,-0.1940454442,GGA,Pnma,ABC_oP12_62_c_c_c:Os-Si-Zr,12.0,ABC_oP12_62_c_c_c:Os-Si-Zr +mp-672689,Hf6Co16Si7,-7.9644062117,-0.6729081045,0.0,-0.1117058521,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Co-Hf-Si,29.0,"Invalid WP multiplicities - A16B6C7_cF116_225_10f_e_a2d:Co-Hf-Si, expected Hf6Co80Si13 to be Hf6Co16Si7" +mp-1224452,HfCoSi,-8.0811043125,-0.5841626942,0.247003735,0.1893899942,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Hf-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Hf-Si, expected Hf3(CoSi)2 to be HfCoSi" +mp-1103227,HfCoSi,-8.3281080475,-0.8311664292000001,0.0,-0.0576137408,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Hf-Si,12.0,ABC_oP12_62_c_c_c:Co-Hf-Si +mp-976184,Hf4Co4Si7,-7.8391297607,-0.7565128600000001,0.0,-0.022538426,GGA,I4/mmm,A4B4C7_tI60_139_k_hi_ehij:Co-Hf-Si,30.0,A4B4C7_tI60_139_k_hi_ehij:Co-Hf-Si +mp-1188987,Hf3Co2Si3,-8.3648665331,-0.8193469369,0.0,-0.0003396025,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Hf-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Hf-Si +mp-607990,Hf2Co3Si4,-7.7351738581,-0.7417734619,0.0,-0.005868422,GGA,Pbcn,A3B2C4_oP36_60_cd_d_2d:Co-Hf-Si,36.0,"Invalid WP multiplicities - A3B2C4_oP36_60_3c4d_d_8d:Co-Hf-Si, expected Hf2Co11Si16 to be Hf2Co3Si4" +mp-571367,Hf(CoSi)2,-7.74098753,-0.736095394,0.0,-0.005237689,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Hf-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Hf-Si +mp-976600,LiHf2Tc,-8.27719754,-0.2312125721,0.0108705917,0.0108705917,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Li-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Li-Tc +mp-866024,Be2RhAu,-4.9437168025,-0.4144629025,0.0,-0.0250842822,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Be-Rh,4.0,AB2C_cF16_225_a_c_b:Au-Be-Rh +mp-865459,Lu2AgRu,-5.7276602325,-0.4404453367,0.0,-0.0302992844,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Ru +mp-1097607,LiBeCu2,-1.8066522075,1.6550350604,1.7250147471,1.7250147471,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Cu-Li,4.0,AB2C_oI8_71_a_e_b:Be-Cu-Li +mp-1183507,CaCePd2,-5.2291272475,-0.6545140837,0.0388693507,0.0388693507,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-Pd +mp-1186351,NdSmIn2,-4.2164187975,-0.4688935406,0.017728045,0.017728045,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Nd-Sm,4.0,A2BC_cF16_225_c_a_b:In-Nd-Sm +mp-1184085,Er2AgPt,-5.32411403,-0.8143322942000001,0.0133856456,0.0133856456,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Pt +mp-1187363,TbGdRh2,-9.1784882625,-0.8187122425000001,0.00876052,0.00876052,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Gd-Rh-Tb +mp-862256,Cu2PdAu,-4.27832868,-0.1152843925,0.0,-0.0190573775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Cu-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Cu-Pd +mp-1096453,CuPd2Au,-2.3467638275,2.086449245,2.1812424513,2.1812424513,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cu-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Cu-Pd +mp-1225771,Cu3PdAu4,-3.8897198312,-0.0680911037,0.0045051419,0.0045051419,GGA,P4/mmm,A4B3C_tP8_123_2h_ag_b:Au-Cu-Pd,8.0,"Invalid WP multiplicities - A4B3C_tP8_123_2h_a2g_b:Au-Cu-Pd, expected Cu5PdAu4 to be Cu3PdAu4" +mp-1096049,CuPdAu2,-2.2030786275,1.7536344925,1.8506894888,1.8506894888,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Pd +mp-1227423,Be8NbCr3,-5.9412771658,-0.1932979683,0.0249794393,0.0249794393,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Be-Cr-Nb,12.0,A8B3C_hP12_156_2b2d_a2c_a:Be-Cr-Nb +mp-1018779,Li3PrSb2,-4.03472145,-0.9071086442,0.0,-0.0267794333,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:Li-Pr-Sb,6.0,A3BC2_hP6_164_ad_b_d:Li-Pr-Sb +mp-22446,Li2PrSb2,-4.190313611,-0.8189628173,0.0936309317,0.0936309317,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Li-Pr-Sb,10.0,A2BC2_tP10_129_ac_c_bc:Li-Pr-Sb +mp-1211878,Li3Pr2Sb3,-3.4285498075,0.0308981713,1.031538175,1.031538175,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Li-Pr-Sb,8.0,A3B2C3_tP8_123_ag_g_bg:Li-Pr-Sb +mp-863676,Pm2CuSn,-4.8281226225000005,-0.42565683,0.0,-0.0248857038,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Cu-Pm-Sn +mp-862900,PmCu2Sn,-4.6052191125,-0.3655872331,0.0,-0.0968049315,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Cu-Pm-Sn +mp-1213208,Er5BiPd2,-5.3394041656,-0.7095483156,0.0,-0.0119025197,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Er-Pd,16.0,AB5C2_tI32_140_a_cl_h:Bi-Er-Pd +mp-1206953,ErBiPd,-5.4700272267,-0.9406639767,0.0,-0.1583098207,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Er-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Er-Pd +mp-1206955,ErBiPd,-5.02350201,-0.49413876,0.4465252167,0.288215396,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Er-Pd,3.0,ABC_cF12_216_c_a_b:Bi-Er-Pd +mp-1186168,NaGdTl2,-5.2771609475,-0.2461774908,0.0018751123,0.0018751123,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Gd-Na-Tl +mp-862927,LiPmHg2,-2.275053945,-0.4583474652,0.0,-0.1398624756,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Pm,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Pm +mp-1093661,Zr2CuIr,-4.6516344875,2.85662604,3.4061406424,3.4061406424,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ir-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Ir-Zr +mp-570073,Np(NiGe)2,-7.112439766,-0.3616180157,0.0,-0.1176395567,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Np,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Np +mp-569333,Li2AgBi,-2.99069023,-0.3679675133,0.0025861733,0.0025861733,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-Bi-Li,4.0,ABC2_cF16_216_a_c_bd:Ag-Bi-Li +mp-1184977,Li2AgBi,-2.986386055,-0.3636633383,0.0068903483,0.0068903483,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Bi-Li,4.0,ABC2_cF16_225_a_b_c:Ag-Bi-Li +mp-1095962,LiAg2Bi,-1.6694072800000002,1.1842237208,1.3834226492,1.3834226492,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Bi-Li,4.0,A2BC_oI8_71_e_a_b:Ag-Bi-Li +mp-1095457,Nd2In8Co,-3.8467023882,-0.3323312518,0.0075109317,0.0075109317,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Nd,11.0,AB8C2_tP11_123_a_ehi_g:Co-In-Nd +mp-1211071,Nd12InCo6,-5.5383303916,-0.1373114605,0.0,-0.026396187,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-In-Nd,19.0,A6BC12_cI38_204_e_a_g:Co-In-Nd +mp-1078606,NdInCo2,-5.6298970175,-0.1957803294,0.0538766056,0.0538766056,GGA,Pmma,A2BC_oP8_51_af_e_f:Co-In-Nd,8.0,A2BC_oP8_51_af_e_f:Co-In-Nd +mp-1078125,NdIn5Co,-3.9262253814,-0.2640991132,0.0054320669,0.0054320669,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Nd,7.0,AB5C_tP7_123_b_ci_a:Co-In-Nd +mp-1104141,Ga2PbSe4,-4.248316305,-0.8551041585,0.0085814221,-0.00738753,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Ga-Pb-Se,14.0,A2BC4_oC28_66_l_a_kl:Ga-Pb-Se +mp-571171,Ga2PbSe4,-4.2568977271,-0.8636855806,0.0,-0.0159689521,GGA,Fddd,A2BC4_oF224_70_2h_abe_4h:Ga-Pb-Se,56.0,"Invalid WP multiplicities - A2BC4_oF224_70_11h_ab2e_26h:Ga-Pb-Se, expected Ga22Pb3Se52 to be Ga2PbSe4" +mp-861735,AcMgTl2,-2.8662048325,-0.2545194948,0.0,-0.1408949458,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Ac-Mg-Tl +mp-1183079,Ac2MgTl,-3.26031833,-0.2090000271,0.0,-0.0629930531,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Ac-Mg-Tl +mp-1215869,Yb2CdPd3,-3.9949496867,-0.7379910617000001,0.01015496,0.01015496,GGA,P-3m1,AB3C2_hP12_164_d_c2d_abd:Cd-Pd-Yb,,"Invalid WP multiplicities - AB3C2_hP12_164_d_c4d_abd:Cd-Pd-Yb, expected Yb2CdPd5 to be Yb2CdPd3" +mp-865744,YbCdPd2,-3.89760157,-0.692036155,0.0,-0.0360215063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Yb,,AB2C_cF16_225_a_c_b:Cd-Pd-Yb +mp-4663,Yb2CdPd2,-3.617414328,-0.74504034,0.0,-0.0310918973,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Pd-Yb,,AB2C2_tP10_127_a_g_h:Cd-Pd-Yb +mp-1224663,GdAlGa,-7.5186300333,-0.5686986692,0.0241288558,0.0241288558,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Gd,3.0,ABC_hP3_187_a_c_f:Al-Ga-Gd +mp-1228081,BaHgPb,-2.4787923367,-0.5003582117,0.0,-0.0104996978,GGA,C2/m,ABC_mC12_12_i_i_i:Ba-Hg-Pb,6.0,ABC_mC12_12_i_i_i:Ba-Hg-Pb +mp-864618,BaHg2Pb,-1.9931574025,-0.4334117175,0.0,-0.0167760492,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Hg-Pb,4.0,AB2C_cF16_225_a_c_b:Ba-Hg-Pb +mp-866106,Ba2HgPb,-2.555855945,-0.5922866162,0.0,-0.0316600363,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Hg-Pb,4.0,A2BC_cF16_225_c_a_b:Ba-Hg-Pb +mp-22324,TbGePt,-6.2378117592,-1.1283026675,0.0,-0.1206100775,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Tb +mp-568456,Tb2(GePt3)3,-6.3307767243,-0.7752041782,0.0,-0.0100480521,GGA,C2/c,A3B9C2_mC56_15_cf_e4f_f:Ge-Pt-Tb,28.0,"Invalid WP multiplicities - A3B9C2_mC56_15_2c2f_2e15f_f:Ge-Pt-Tb, expected TbGe3Pt16 to be Tb2(GePt3)3" +mp-20054,TbGe2Pt,-5.8661427387,-0.8782539562,0.0,-0.0320269556,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pt-Tb,16.0,"Invalid WP multiplicities - A2BC_oI32_71_e2fm_m_2e2i:Ge-Pt-Tb, expected Tb4Ge5Pt2 to be TbGe2Pt" +mp-1208850,Tb3(Ge3Pt2)2,-5.9500577229000005,-0.8788424375,0.0,-0.0036247191,GGA,Pnma,A6B4C3_oP52_62_6c_4c_3c:Ge-Pt-Tb,52.0,A6B4C3_oP52_62_6c_4c_3c:Ge-Pt-Tb +mp-1206629,Tb2Ge6Pt,-5.3302028778,-0.5437548056,0.06106355,0.06106355,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Tb,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Tb +mp-862975,PmZn2Cd,-2.38243653,-0.3342067044,0.0,-0.0188387783,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Cd-Pm-Zn +mp-1097172,Zn2IrRh,-2.25860755,2.4219497675,2.7111385975,2.7111385975,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Rh-Zn,4.0,ABC2_oI8_71_a_b_e:Ir-Rh-Zn +mp-1208184,Tm6Nb4Al43,-4.6305849103,-0.3226605067,0.0,-0.0057691859,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Tm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Tm +mp-971982,Tm2ZnCu,-3.8894454125,-0.3117901308,0.013774455,0.013774455,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Tm-Zn +mp-3701,Sc(Al2Fe)4,-5.8237674854,-0.4255243635,0.0,-0.0432799094,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Sc,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Sc +mp-1219472,Sc(AlFe)6,-6.5243829846,-0.3993021119,0.0,-0.0476812262,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Sc,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Sc +mp-1219358,ScAlFe,-6.5771803075,-0.3944915925,0.0,-0.01407577,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Sc,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Sc, expected Sc3(AlFe)2 to be ScAlFe" +mp-1212829,Dy5(SiSb)2,-5.6268952383,-0.9443871561,0.0,-0.0162953358,GGA,Cmce,A5B2C2_oC36_64_ag_d_f:Dy-Sb-Si,18.0,A5B2C2_oC36_64_ag_d_f:Dy-Sb-Si +mp-7109,Lu(SiPt)2,-6.479787534,-0.97701689,0.0,-0.0001503615,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Pt-Si +mp-1222307,Lu(SiPt)2,-6.416690064,-0.91391942,0.06309747,0.0629471085,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Lu-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:Lu-Pt-Si +mp-1101919,LuSiPt,-6.5482556325,-1.2091216758,0.0,-0.1684742742,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Pt-Si,12.0,ABC_oP12_62_c_c_c:Lu-Pt-Si +mp-1105597,LuSiPt2,-6.701032055,-1.1788982575,0.0,-0.0939351011,GGA,Pnma,AB2C_oP16_62_c_d_c:Lu-Pt-Si,16.0,AB2C_oP16_62_c_d_c:Lu-Pt-Si +mp-1096647,Be2IrOs,-3.39533964,3.490817195,3.7984447808,3.7984447808,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Ir-Os,4.0,A2BC_oI8_71_e_a_b:Be-Ir-Os +mp-1187353,TbNbRu2,-8.5827974925,-0.2616784375,0.0094874804,0.0094874804,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Tb,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Tb +mp-1219092,SmMnIn,-5.5712259933,-0.027130941,0.2957258607,0.2957258607,GGA,P-6m2,ABC_hP3_187_a_c_f:In-Mn-Sm,3.0,ABC_hP3_187_a_c_f:In-Mn-Sm +mp-631394,CaZrPd,-4.48051801,0.7638760967,1.2875700583,1.2875700583,GGA,F-43m,ABC_cF12_216_c_a_b:Ca-Pd-Zr,3.0,ABC_cF12_216_c_a_b:Ca-Pd-Zr +mp-1096305,HfZrAu2,-3.803329655,2.45983376,2.9790794262,2.9790794262,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Zr +mp-865303,Tm2CoOs,-7.0426782375,-0.2208392196,0.0854944954,0.0854944954,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Co-Os-Tm +mp-1184144,Er2RuPt,-6.967425935,-0.847182565,0.0,-0.0050772597,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Pt-Ru +mp-999447,NaSmTe2,-4.61783049,-1.5358996862,0.0,-0.0762456966,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Sm-Te,4.0,ABC2_hR12_166_a_b_c:Na-Sm-Te +mp-1207373,Na(SmTe2)3,-2.691686091,0.7421258148000001,2.2670875055,2.2670875055,GGA,Cmmm,AB3C6_oC20_65_a_de_kp:Na-Sm-Te,10.0,AB3C6_oC20_65_a_de_kp:Na-Sm-Te +mp-1096040,ZrScRu2,-5.5549357075,2.8023079963,3.4550255125,3.402635265,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Ru-Sc-Zr +mp-1188014,ZrScRu2,-9.00996122,-0.6527175162000001,0.0,-0.0523902475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-Zr +mp-1193462,Ce(Sn2Rh)2,-5.8538590421,-0.6110029971000001,0.1923559029,0.1923559029,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ce-Rh-Sn,28.0,AB2C4_oP28_62_c_2c_4c:Ce-Rh-Sn +mp-12374,CeSnRh,-6.6539502878,-0.8849606611,0.102650716,0.102650716,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Ce-Rh-Sn +mp-7203,Ce3Sn13Rh4,-5.5230176067,-0.5539709537,0.1705721788,0.1705721788,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ce-Rh-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ce-Rh-Sn +mp-1199090,Ce5(Sn5Rh2)2,-5.897031395,-0.6750105632000001,0.3402998709,0.3402998709,GGA,P4/mbm,A5B4C10_tP38_127_a2h_i_gij:Ce-Rh-Sn,38.0,A5B4C10_tP38_127_a2h_i_gij:Ce-Rh-Sn +mp-1079827,Ce(SnRh)2,-6.4087730910000005,-0.67260337,0.2144948634,0.2144948634,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Rh-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Rh-Sn +mp-510359,CeSn2Rh,-6.4240877381,-1.0949525544,0.0,-0.3757481209,GGA,Cmcm,ABC2_oC32_63_ac_f_2cf:Ce-Rh-Sn,16.0,ABC2_oC32_63_ac_f_2cf:Ce-Rh-Sn +mp-11185,Sm3Sb4Pt7,-6.0970292436,-0.8706223432,0.0,-0.0133091761,GGA,C2/m,A7B4C3_mC28_12_a3i_2i_ci:Pt-Sb-Sm,14.0,"Invalid WP multiplicities - A7B4C3_mC28_12_a5i_3i_ci:Pt-Sb-Sm, expected Sm3Sb6Pt11 to be Sm3Sb4Pt7" +mp-1207188,SmSbPt,-5.6839439733,-0.711037075,0.3281564854,0.3281564854,GGA,F-43m,ABC_cF12_216_a_c_b:Pt-Sb-Sm,3.0,ABC_cF12_216_a_c_b:Pt-Sb-Sm +mp-1218968,SmSbPt,-5.4253869,-0.4524800017,0.5867135587,0.5867135587,GGA,F-43m,ABC_cF12_216_a_b_c:Pt-Sb-Sm,3.0,ABC_cF12_216_a_b_c:Pt-Sb-Sm +mp-640054,Nd6In22Pt13,-4.75045115,-0.6511667643,0.0098279144,0.0098279144,GGA,C2/m,A22B6C13_mC82_12_11i_3i_a6i:In-Nd-Pt,41.0,"Invalid WP multiplicities - A22B6C13_mC82_12_22i_5i_a11i:In-Nd-Pt, expected Nd10In44Pt23 to be Nd6In22Pt13" +mp-1210100,Nd5(In2Pt)2,-5.0299662709,-0.7581718416000001,0.0,-0.0240976339,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:In-Nd-Pt,22.0,A4B5C2_oP22_55_2g_b2h_g:In-Nd-Pt +mp-1211197,Nd12InPt7,-6.0079625147,-0.8845932068000001,0.0,-0.0099710907,GGA,I4/mcm,AB12C7_tI80_140_c_ghm_ahl:In-Nd-Pt,40.0,AB12C7_tI80_140_c_ghm_ahl:In-Nd-Pt +mp-1071890,NdInPt4,-6.0897344183,-0.7890070112,0.0,-0.0432830875,GGA,F-43m,ABC4_cF24_216_a_c_e:In-Nd-Pt,6.0,ABC4_cF24_216_a_c_e:In-Nd-Pt +mp-1212693,NdIn3Pt,-4.404648899,-0.5857825105000001,0.0243389384,0.0243389384,GGA,Pm-3n,A3BC_cP40_223_k_ac_e:In-Nd-Pt,40.0,A3BC_cP40_223_k_ac_e:In-Nd-Pt +mp-672307,NdInPt,-5.4797437711,-0.9494222769,0.0,-0.1111256148,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Nd-Pt,9.0,ABC_hP9_189_f_g_bc:In-Nd-Pt +mp-862623,ScSnRh2,-7.144147725,-0.87648355,0.0,-0.1294280981,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Rh-Sc-Sn +mp-674804,Sm2PbSe4,-5.6101974764,-1.7339881549,0.0448333218,0.0448333218,GGA,I-42d,AB4C2_tI28_122_a_e_d:Pb-Se-Sm,14.0,AB4C2_tI28_122_a_e_d:Pb-Se-Sm +mp-1204364,Dy2Nb3Ge4,-7.1868177017,-0.7413065661,0.0,-0.0932443448,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Dy-Ge-Nb,36.0,A2B4C3_oP36_62_d_2cd_cd:Dy-Ge-Nb +mp-1219974,PrGa3Pd,-4.497758418,-0.6887432915,0.0,-0.0075536975,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Pd-Pr,5.0,A3BC_tI10_119_af_b_c:Ga-Pd-Pr +mp-1188119,PrGaPd2,-5.3889239588,-0.8467326094000001,0.0,-0.0721368802,GGA,Pnma,AB2C_oP16_62_c_d_c:Ga-Pd-Pr,16.0,AB2C_oP16_62_c_d_c:Ga-Pd-Pr +mp-1193902,Pr2Ga12Pd,-3.830186073,-0.4249297003,0.0,-0.0096592555,GGA,P4/nbm,A12BC2_tP30_125_2g2m_c_h:Ga-Pd-Pr,30.0,A12BC2_tP30_125_2g2m_c_h:Ga-Pd-Pr +mp-1102521,PrGaPd,-5.1499606883,-0.8203328258,0.0,-0.0367647583,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Pr,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Pr +mp-1187522,YbSmCd2,-2.3960641475,-0.3700706637,0.0,-0.0123266,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Sm-Yb,,A2BC_cF16_225_c_a_b:Cd-Sm-Yb +mp-21290,HoInPt,-5.46292293,-0.99451429,0.0,-0.1049980479,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-In-Pt,9.0,ABC_hP9_189_f_g_ad:Ho-In-Pt +mp-1025022,HoInPt4,-6.060244145,-0.7904731650000001,0.0499091833,0.0499091833,GGA,F-43m,ABC4_cF24_216_a_c_e:Ho-In-Pt,6.0,ABC4_cF24_216_a_c_e:Ho-In-Pt +mp-1206241,HoInPt2,-5.69752825,-0.82843844,0.1007124581,0.1007124581,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Ho-In-Pt,8.0,ABC2_hP8_194_a_c_f:Ho-In-Pt +mp-1184823,HoInPt2,-5.7822422875,-0.9131524775,0.0159984206,0.0159984206,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-In-Pt,4.0,ABC2_cF16_225_a_b_c:Ho-In-Pt +mp-31109,Ho12InPt7,-6.035248889,-1.0233227185,0.0,-0.0094073288,GGA,I4/mcm,A12BC7_tI80_140_ghm_c_ahl:Ho-In-Pt,40.0,"Invalid WP multiplicities - A12BC7_tI80_140_g3h4m_c_ah2l:Ho-In-Pt, expected Ho40InPt11 to be Ho12InPt7" +mp-1212246,Ho5(In2Pt)2,-5.0026022759,-0.8152344659,0.0,-0.066811882,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Pt,22.0,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Pt +mp-864975,Mg2PdPt,-4.4216114075,-0.8087175999999999,0.0,-0.0819995663,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Mg-Pd-Pt +mp-867179,SrCdHg2,-1.1787219125,-0.3737859267,0.007679775,0.007679775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Sr +mp-1096352,Sr2CdHg,-0.30577675,0.8456125079,1.2729109225,1.2729109225,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Sr +mp-1187079,Sr2CdHg,-1.5698201525000002,-0.4184308946,0.00886752,0.00886752,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Sr +mp-863250,TaMn2Ge,-8.907777915,-0.2065688977,0.0144878467,0.0144878467,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Mn-Ta,4.0,AB2C_cF16_225_a_c_b:Ge-Mn-Ta +mp-1106384,TaMnGe,-8.5034471111,0.0441598146,0.3085602222,0.2944401539,GGA,Ima2,ABC_oI36_46_bc_3b_ac:Ge-Mn-Ta,18.0,ABC_oI36_46_bc_3b_ac:Ge-Mn-Ta +mp-1079643,TaMnGe,-8.8120073333,-0.2644004076,0.0,-0.0141200683,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Mn-Ta,9.0,ABC_hP9_189_ad_g_f:Ge-Mn-Ta +mp-984784,Ba2ZnCd,-1.7468982975,-0.241752485,0.0075847133,0.0075847133,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-Zn,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-Zn +mp-1095953,Zn2PtAu,-1.7917039025,1.1744217325,1.5649345625,1.5649345625,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Au-Pt-Zn +mp-1018822,NdZnIn,-3.3763109633,-0.4497860392,0.0,-0.0116124885,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:In-Nd-Zn,6.0,ABC_hP6_194_c_a_d:In-Nd-Zn +mp-1186322,Nd2ZnIn,-3.650848125,-0.2639175738,0.13792869,0.13792869,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Nd-Zn,4.0,AB2C_cF16_225_a_c_b:In-Nd-Zn +mp-1097597,Al2TcPd,-3.641148125,2.1167699787,2.7734651132,2.7734651132,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Pd-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Pd-Tc +mp-1183135,Al2TcPd,-6.4020683025,-0.6441501988,0.0125449357,0.0125449357,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pd-Tc,4.0,A2BC_cF16_225_c_a_b:Al-Pd-Tc +mp-1097302,Ti2NbRh,-5.1445103475,3.1696388883,3.638960795,3.638960795,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Nb-Rh-Ti +mp-11831,YbZnSn,-2.8485067967,-0.5788655483,0.0,-0.1006169692,GGA,P6_3mc,ABC_hP6_186_b_a_b:Sn-Yb-Zn,,ABC_hP6_186_b_a_b:Sn-Yb-Zn +mp-1187958,Yb2ZnSn,-2.657766585,-0.5706335787,0.0,-0.0125086092,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sn-Yb-Zn,,AB2C_cF16_225_a_c_b:Sn-Yb-Zn +mp-865876,Ti2TcOs,-9.9795313675,-0.6347837654,0.0,-0.032970145,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Os-Tc-Ti +mp-569679,ZnSe,-3.1693887975,-0.7915612537000001,0.1599997775,-0.3084399994,GGA,P4/nmm,AB_tP4_129_c_a:Se-Zn,4.0,AB_tP4_129_c_a:Se-Zn +mp-380,ZnSe,-3.32418648,-0.9463589362,0.005202095,-0.4632376819,GGA,P6_3mc,AB_hP4_186_b_b:Se-Zn,4.0,AB_hP4_186_b_b:Se-Zn +mp-1190,ZnSe,-3.329388575,-0.9515610312,0.0,-0.4684397769,GGA,F-43m,AB_cF8_216_a_c:Se-Zn,2.0,AB_cF8_216_a_c:Se-Zn +mp-982778,Zn3Se,-1.8010408938,0.0177446832,0.4935251988,0.4935251988,GGA,P6_3/mmc,AB3_hP8_194_c_h:Se-Zn,8.0,AB3_hP8_194_c_h:Se-Zn +mp-1187912,Zn3Se,-1.8059110625,0.0128745144,0.48865503,0.48865503,GGA,Pm-3m,AB3_cP4_221_a_c:Se-Zn,4.0,AB3_cP4_221_a_c:Se-Zn +mp-1102515,ZnSe2,-3.3946838608,-0.6441616724,0.0,-0.0097876516,GGA,Pa-3,A2B_cP12_205_c_a:Se-Zn,12.0,A2B_cP12_205_c_a:Se-Zn +mp-1220761,Nb12ZnSe16,-7.213535391,-1.0614668485,0.0378972294,0.0378972294,GGA,P-1,A12B16C_aP29_2_6i_8i_a:Nb-Se-Zn,29.0,"Invalid WP multiplicities - A12B16C_aP29_2_12i_15i_a:Nb-Se-Zn, expected Nb24ZnSe30 to be Nb12ZnSe16" +mp-977440,LiTiPt2,-6.312329745,-0.8256593642000001,0.0,-0.0365301109,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Ti,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Ti +mp-1096637,SiTc2Ni,-4.77576633,3.20591682,3.5377553956,3.5377553956,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Ni-Si-Tc +mp-1096414,Nb2CuTc,-5.01760947,3.6480044537,3.7364922725,3.7364922725,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Cu-Nb-Tc +mp-1184467,EuPuRh2,-9.75046303,0.0629009375,0.4827998596,0.4827998596,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Pu-Rh,4.0,ABC2_cF16_225_a_b_c:Eu-Pu-Rh +mp-1096374,TlCuPd2,-2.5754802,1.6299231592,1.8095080432,1.8095080432,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Cu-Pd-Tl +mp-1018668,CeTlCd,-3.2957461233,-0.2228721028,0.0273782208,0.0273782208,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cd-Ce-Tl,6.0,ABC_hP6_194_c_a_d:Cd-Ce-Tl +mp-1093948,SrLaAg2,-1.574148665,1.4985044762,1.7848991847,1.7848991847,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-La-Sr,4.0,A2BC_oI8_71_e_a_b:Ag-La-Sr +mp-1186617,PmNdIr2,-7.38904682,-0.5901572912,0.0,-0.0556538619,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Nd-Pm,4.0,A2BC_cF16_225_c_a_b:Ir-Nd-Pm +mp-980199,YbDyHg2,-2.25739395,-0.5689549875000001,0.0,-0.006897715,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Yb,,AB2C_cF16_225_a_c_b:Dy-Hg-Yb +mp-1096313,Hf2RePd,-6.0509709775,3.3337257863,3.8932284625,3.8753763042,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Pd-Re,4.0,A2BC_oI8_71_e_a_b:Hf-Pd-Re +mp-1184592,Hf2RePd,-9.94419944,-0.5595026763000001,0.0,-0.0178521583,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Pd-Re,4.0,A2BC_cF16_225_c_a_b:Hf-Pd-Re +mp-973612,Hf9CoMo4,-10.1886935693,-0.1811493189,0.0,-0.0449456238,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Co-Hf-Mo,28.0,AB9C4_hP28_194_c_hk_ah:Co-Hf-Mo +mp-862371,Sc2RuPt,-7.9591748125,-0.956556295,0.0,-0.07132707,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Pt-Ru-Sc +mp-1095724,BaLi2Pb,-1.206952835,1.1554141008,1.5438030101,1.5438030101,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Li-Pb,4.0,AB2C_oI8_71_a_e_b:Ba-Li-Pb +mp-1184738,HoErIn2,-4.1012347325,-0.4378609475,0.0,-0.0093850625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-In,4.0,ABC2_cF16_225_a_b_c:Er-Ho-In +mp-1212101,HoSbIr,-6.7438926408,-0.8939445442,0.0229443747,0.0229443747,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ir-Sb,12.0,ABC_oP12_62_c_c_c:Ho-Ir-Sb +mp-1206135,Hf6FeSb2,-8.9797995033,-0.4830041844,0.0,-0.0551484735,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Fe-Hf-Sb,9.0,AB6C2_hP9_189_a_fg_d:Fe-Hf-Sb +mp-1212486,Hf5FeSb2,-8.7904456831,-0.4761995781,0.0217313729,0.0217313729,GGA,I4/mcm,AB5C2_tI32_140_a_bk_h:Fe-Hf-Sb,16.0,AB5C2_tI32_140_a_bk_h:Fe-Hf-Sb +mp-1224612,Hf20(FeSb3)3,-8.6752241859,-0.496634955,0.0193165782,0.0193165782,GGA,C222,A3B20C9_oC64_21_abc_5l_d2kl:Fe-Hf-Sb,,"Invalid WP multiplicities - A3B20C9_oC64_21_abc_12l_d3kl:Fe-Hf-Sb, expected Hf48Fe3Sb11 to be Hf20(FeSb3)3" +mp-1212435,HfFeSb,-7.9071677783,-0.3884306183,0.0509547039,0.0509547039,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Hf-Sb,12.0,ABC_oP12_62_c_c_c:Fe-Hf-Sb +mp-1079779,Tb2InCu2,-4.42921843,-0.385452576,0.0,-0.0413298733,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Tb,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Tb +mp-1217863,Tb(InCu)6,-3.6472961685,-0.1288570531,0.0047484781,0.0047484781,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Tb,13.0,A6B6C_oI26_71_fk_egh_a:Cu-In-Tb +mp-1217523,TbIn7Cu5,-3.49051784,-0.0757343354,0.0571533193,0.0571533193,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Tb,13.0,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Tb +mp-22685,TbInCu2,-4.2211674975,-0.325051705,0.0174036906,0.0174036906,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Tb,4.0,A2BC_cF16_225_c_a_b:Cu-In-Tb +mp-1217738,Tb2In3Cu,-3.9894238583,-0.3855921817,0.0466811503,0.0466811503,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-In-Tb,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-In-Tb +mp-1217750,Tb2In3Cu,-4.00870866,-0.4048769833,0.0273963487,0.0273963487,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-In-Tb,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-In-Tb +mp-22229,TbInCu4,-4.2345894017,-0.27077665,0.0,-0.0514137078,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Tb,6.0,A4BC_cF24_216_e_a_c:Cu-In-Tb +mp-19782,TbInCu,-4.2425529744,-0.4141341411,0.0,-0.0306650413,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-In-Tb,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Cu-In-Tb, expected Tb3In3Cu5 to be TbInCu" +mp-1213299,CsFe2Te3,-4.9978820975,-0.4536550188,0.1345484265,0.1345484265,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Cs-Fe-Te,12.0,AB2C3_oC24_63_c_e_cg:Cs-Fe-Te +mp-1222287,LiTbSe2,-5.2298855,-1.8461075195,0.081320775,0.0324303616,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-Se-Tb,4.0,AB2C_tP4_123_a_bc_d:Li-Se-Tb +mp-38695,LiTbSe2,-5.2957327413,-1.9119547608,0.0154735337,-0.0334168797,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-Se-Tb,8.0,AB2C_tI16_141_a_e_b:Li-Se-Tb +mp-15793,LiTbSe2,-5.311206275,-1.9274282945,0.0,-0.0488904134,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-Se-Tb,4.0,AB2C_hR12_166_a_c_b:Li-Se-Tb +mp-653120,Mn(GaTe2)2,-4.4638706557,-0.4936662399,0.008323135,0.008323135,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ga-Mn-Te,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_6c_c_14c:Ga-Mn-Te, expected Mn(Ga3Te7)2 to be Mn(GaTe2)2" +mp-866284,Al2IrOs,-7.6049085175,-0.7156701999999999,0.0,-0.0252667338,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ir-Os,4.0,A2BC_cF16_225_c_a_b:Al-Ir-Os +mp-1096425,MgSc2Au,-2.4860233075,1.8987517575,2.3929883442,2.3929883442,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Mg-Sc,4.0,ABC2_oI8_71_a_b_e:Au-Mg-Sc +mp-1095711,MgScAu2,-2.5026803175,1.1174479713,1.868941625,1.825040515,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mg-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Mg-Sc +mp-1185960,MgScAu2,-4.3716219425,-0.7514936537,0.0,-0.04390111,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Sc,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Sc +mp-1186594,PmHoZn2,-3.295234845,-0.3321252419,0.0,-0.0372314331,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Pm-Zn +mp-1224733,Gd2ZnAg,-8.4029684775,-0.3418324542,0.0,-0.0049673525,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Gd-Zn,4.0,AB2C_tP4_123_a_h_b:Ag-Gd-Zn +mp-1184380,Gd2ZnAg,-8.3817442225,-0.3206081992,0.021224255,0.0162569025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Zn +mp-862263,DyAlAg2,-3.8395094725,-0.3351408033,0.00088421,0.00088421,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Dy,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Dy +mp-1222685,LaYbAl4,-3.9885647267,-0.4122449425,0.010052115,0.010052115,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-Yb,,A4BC_cF24_216_e_a_c:Al-La-Yb +mp-862939,PmMgCd2,-2.382851315,-0.3337008419,0.0,-0.091635765,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Pm,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Pm +mp-1186474,Pm2MgCd,-3.214169235,-0.2081056212,0.0,-0.0149627256,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Pm +mp-10873,ScAlAu2,-4.8614962625,-0.7050440287,0.0,-0.0230314561,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Au-Sc +mp-1097575,Sc2AlAu,-2.97593111,1.9451679,2.5737512831,2.5737512831,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Au-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Au-Sc +mp-1183744,CeMgHg2,-2.428606375,-0.3934238912,0.0,-0.1086932554,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Mg +mp-1194154,Sc6Al16Rh7,-5.9836111341,-0.8293289617,0.0,-0.0516412293,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Rh-Sc +mp-867922,ScAlRh2,-7.2916387725,-1.0899736037,0.0,-0.029882105,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Rh-Sc +mp-1025172,Ho(TiGa2)2,-5.1748487371,-0.5340234524,0.0041121057,0.0041121057,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Ho-Ti,7.0,A4BC2_tI14_139_h_a_d:Ga-Ho-Ti +mp-864610,Nd2MgAl,-3.97351261,-0.2529749237,0.0,-0.0022321725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Nd,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Nd +mp-1220192,Nd5MgAl4,-4.34266774,-0.3003356868,0.036416712,0.036416712,GGA,P4/mmm,A4BC5_tP10_123_2g_a_d2h:Al-Mg-Nd,10.0,"Invalid WP multiplicities - A4BC5_tP10_123_3g_a_d4h:Al-Mg-Nd, expected Nd9MgAl6 to be Nd5MgAl4" +mp-975559,Nd(Mg4Al3)4,-1.7115622783000002,0.8856631766,0.9699391083,0.9699391083,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Nd,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Nd, expected Nd(Mg13Al10)2 to be Nd(Mg4Al3)4" +mp-975160,Nd(Mg4Al3)4,-2.6634645876,-0.0662391327,0.018036799,0.018036799,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Nd,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Nd, expected NdMg49Al48 to be Nd(Mg4Al3)4" +mp-975395,Nd(Mg4Al3)4,-2.6664245897,-0.0691991347,0.0150767969,0.0150767969,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Nd,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c4g_a:Al-Mg-Nd, expected Nd(Mg16Al3)4 to be Nd(Mg4Al3)4" +mp-1095841,Sr2MgHg,-0.301787455,1.0189493754,1.3326930925,1.3326930925,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Mg-Sr,4.0,ABC2_oI8_71_a_b_e:Hg-Mg-Sr +mp-1093616,SrMgHg2,-0.26045862,0.7138249383,1.1066524597,1.1066524597,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Mg-Sr,4.0,A2BC_oI8_71_e_a_b:Hg-Mg-Sr +mp-1187185,SrMgHg2,-1.3629358375,-0.3886522792,0.0041752422,0.0041752422,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Sr,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Sr +mp-28385,Sc5(Re2Si3)4,-8.4391843142,-0.5862891396000001,0.0,-0.0061130841,GGA,Amm2,A8B5C12_oC100_38_2cde2f_ab2f_2c2d2e3f:Re-Sc-Si,50.0,"Invalid WP multiplicities - A8B5C12_oC100_38_2cde5f_ab4f_3c3d4e3f:Re-Sc-Si, expected Sc9(Re7Si8)2 to be Sc5(Re2Si3)4" +mp-669400,ScRe2Si3,-8.418859640400001,-0.5026133796,0.0486156827,0.0486156827,GGA,Fmm2,A2BC3_oF96_42_cde_e_b2cde:Re-Sc-Si,24.0,A2BC3_oF96_42_cde_e_b2cde:Re-Sc-Si +mp-671510,Sc3Re2Si3,-8.0410650881,-0.5207631163,0.1337455748,0.1337455748,GGA,C2,A2B3C3_mC64_5_4c_6c_2a2b4c:Re-Sc-Si,32.0,"Invalid WP multiplicities - A2B3C3_mC64_5_7c_12c_2a2b7c:Re-Sc-Si, expected Sc12Re7Si9 to be Sc3Re2Si3" +mp-542607,Sc3Re2Si3,-8.0637834813,-0.5434815094000001,0.1110271817,0.1110271817,GGA,C2/c,A2B3C3_mC64_15_2f_3f_2e2f:Re-Sc-Si,32.0,"Invalid WP multiplicities - A2B3C3_mC64_15_2f_5f_3e4f:Re-Sc-Si, expected Sc10Re4Si11 to be Sc3Re2Si3" +mp-31027,Sc3(ReSi2)2,-7.9788539747,-0.6913279964,0.0,-0.0216971661,GGA,C2/c,A2B3C4_mC72_15_2f_3f_2e3f:Re-Sc-Si,36.0,"Invalid WP multiplicities - A2B3C4_mC72_15_2f_7f_2e3f:Re-Sc-Si, expected Sc7(ReSi2)2 to be Sc3(ReSi2)2" +mp-16794,Sc2Re3Si4,-8.5751976628,-0.60855412,0.0,-0.0254251895,GGA,P4_12_12,A3B2C4_tP36_92_ab_b_2b:Re-Sc-Si,36.0,"Invalid WP multiplicities - A3B2C4_tP36_92_2ab_b_4b:Re-Sc-Si, expected Sc(ReSi2)2 to be Sc2Re3Si4" +mp-11755,Lu6Sb2Mo,-5.6674081989000005,-0.53081312,0.0,-0.0025512628,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Lu-Mo-Sb,9.0,A6BC2_hP9_189_fg_a_d:Lu-Mo-Sb +mp-866145,Lu2AgIr,-5.873486925,-0.6952641192,0.0016270825,0.0016270825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Lu +mp-1209984,NdGa4Os,-5.1510865072,-0.4664366818,0.0,-0.0007424278,GGA,Pmma,A4BC_oP36_51_afijkl_ek_bh:Ga-Nd-Os,36.0,A4BC_oP36_51_afijkl_ek_bh:Ga-Nd-Os +mp-977541,Hf2TcOs,-11.008878265,-0.6332821562000001,0.0,-0.03679169,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Os-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Os-Tc +mp-865304,Tm2CoRu,-6.6777051675,-0.3441073721,0.0050698844,0.0050698844,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Co-Ru-Tm +mp-1202465,Gd3Ge13Os4,-7.7008565213,-0.3389965935,0.0,-0.0318378202,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Os,40.0,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Os +mp-1220005,Pr(Co5Mo)2,-7.4861393169,0.018120985,0.0656480699,0.0656480699,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Co-Mo-Pr,13.0,A10B2C_oI26_71_efhk_g_a:Co-Mo-Pr +mp-1097305,Zr2MnOs,-5.9310347575,3.440161238,3.7784363929,3.7784363929,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Os-Zr,4.0,ABC2_oI8_71_a_b_e:Mn-Os-Zr +mp-864896,Zr2CoTc,-9.0059303875,-0.3648408875,0.0,-0.0773553834,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Co-Tc-Zr +mp-864786,Yb2PdPt,-4.589195335,-1.0066374125,0.0,-0.0432452851,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Pt-Yb,,ABC2_cF16_225_a_b_c:Pd-Pt-Yb +mp-979258,Tm2CdHg,-2.931006085,-0.3864458421,0.011264665,0.011264665,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Tm,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Tm +mp-865983,TmCdHg2,-1.83364928,-0.3321278017,0.0,-0.0419902812,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Tm,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Tm +mp-631267,TaFeSb,-7.6905518,0.4617148933,0.69556104,0.69556104,GGA,F-43m,ABC_cF12_216_a_b_c:Fe-Sb-Ta,3.0,ABC_cF12_216_a_b_c:Fe-Sb-Ta +mp-865887,TmCdAu2,-3.6582561925,-0.6716338967000001,0.0,-0.00441672,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Tm,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Tm +mp-1205911,TmCdAu,-3.5293727322,-0.6385036711000001,0.0,-0.0300395505,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Tm,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Tm +mp-867267,LiHo2Pt,-4.9644494550000005,-0.6782309733,0.0396277642,0.0396277642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Ho-Li-Pt +mp-1187040,SmEuHg2,-4.3993715525,-0.5036343862,0.0,-0.0714549156,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Sm +mp-3264,Th(NiGe)2,-6.350245762,-0.7062082980000001,0.0,-0.0830817298,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Th +mp-1206093,ThNiGe2,-6.3429535475,-0.7329408875,0.0,-0.0522713519,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Th,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Th +mp-1191197,Sr2(GaAu2)3,-3.4789966009,-0.5602177851,0.0,-0.0216137894,GGA,R-3c,A6B3C2_hR66_167_f_e_c:Au-Ga-Sr,22.0,A6B3C2_hR66_167_f_e_c:Au-Ga-Sr +mp-12780,Sr(GaAu)2,-3.460722611,-0.6020327113,0.0,-0.0633960443,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Au-Ga-Sr,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_a2c_2b2c_c:Au-Ga-Sr, expected SrGa4Au3 to be Sr(GaAu)2" +mp-1208621,SrGa4Au3,-3.4169633875,-0.4640229446,0.0015406269,0.0015406269,GGA,P4/mmm,A3B4C_tP8_123_ah_i_b:Au-Ga-Sr,8.0,A3B4C_tP8_123_ah_i_b:Au-Ga-Sr +mp-1209617,Sr2(GaAu)3,-2.4265038262,0.3591112955,0.9737605329,0.9737605329,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Au-Ga-Sr,8.0,A3B3C2_tP8_123_ag_bg_g:Au-Ga-Sr +mp-1205559,YbInBr3,-3.697309049,-1.907233649,0.0,-0.007094957,GGA,Cmcm,A3BC_oC20_63_cf_c_a:Br-In-Yb,,A3BC_oC20_63_cf_c_a:Br-In-Yb +mp-867925,SrAcHg2,-2.1318569675,-0.5273496698,0.0,-0.1234458183,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Sr +mp-675433,Mn2SbTe,-6.3449289538,0.0541554756,0.2690284809,0.2690284809,GGA,Pmn2_1,A2BC_oP8_31_2a_a_a:Mn-Sb-Te,8.0,A2BC_oP8_58_g_a_c:Mn-Sb-Te +mp-34844,Mn2SbTe,-6.34412769,0.0549567394,0.2698297446,0.2698297446,GGA,Pnnm,A2BC_oP8_58_g_a_c:Mn-Sb-Te,8.0,A2BC_oP8_58_g_a_c:Mn-Sb-Te +mp-1221531,Mn2SbTe,-6.6003905025,-0.2013060731,0.0135669321,0.0135669321,GGA,P-6m2,A2BC_hP4_187_i_a_d:Mn-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Mn-Sb-Te +mp-1187643,YbEuMg2,-3.821832735,-0.07254019,0.0135594362,0.0135594362,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Mg-Yb,,AB2C_cF16_225_a_c_b:Eu-Mg-Yb +mp-977568,ZrSnPd2,-6.4652158225,-0.7359567962,0.0179379398,0.0179379398,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Zr,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Zr +mp-22689,ZrSnPd,-6.1648476267,-0.2524628617,0.5318248433,0.4218915249,GGA,F-43m,ABC_cF12_216_a_c_b:Pd-Sn-Zr,3.0,ABC_cF12_216_a_c_b:Pd-Sn-Zr +mp-961687,ZrSnPd,-6.69667247,-0.784287705,0.0,-0.1099333185,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sn-Zr,3.0,ABC_cF12_216_c_a_b:Pd-Sn-Zr +mp-861598,Ho2ZnOs,-5.72073276,-0.307750565,0.0235539203,0.0235539203,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Os-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Os-Zn +mp-1096459,MgSc2Hg,-1.6649940375,1.9772306188,2.217855515,2.2120514625,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Mg-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-Mg-Sc +mp-1185964,MgSc2Hg,-3.8828495525,-0.2406248962,0.0,-0.0058040525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:Hg-Mg-Sc +mp-977564,MgScHg2,-2.5226308825,-0.3876034112,0.0,-0.0651753225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Sc,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Sc +mp-1097157,Zr2ZnTc,-4.2104292675,2.9685166862,3.2301905228,3.2301905228,GGA,Immm,ABC2_oI8_71_a_b_e:Tc-Zn-Zr,4.0,ABC2_oI8_71_a_b_e:Tc-Zn-Zr +mp-570159,SmZnSn,-3.9624215883,-0.633121055,0.0,-0.0847296546,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Sm-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Sm-Sn-Zn +mp-1208050,Tm2AlGe3,-5.0255123754,-0.5977906685000001,0.0159110554,0.0159110554,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Tm,24.0,AB3C2_oP24_62_c_3c_2c:Al-Ge-Tm +mp-1072024,TmAlGe,-4.9096403183,-0.6281606156,0.0,-0.048222496,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Tm,6.0,ABC_oC12_63_a_c_c:Al-Ge-Tm +mp-1206602,Tm(AlGe)2,-4.623832516,-0.3812239573,0.0,-0.004327588,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Tm,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Tm +mp-29633,LiGePd2,-4.832163465,-0.6092348796,0.0,-0.0823557553,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Pd +mp-1222657,Li2GePd,-3.9587703125,-0.5535814629,0.0,-0.0810092263,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ge-Li-Pd,4.0,AB2C_cF16_216_a_bc_d:Ge-Li-Pd +mp-30080,Li2GePd,-3.809664345,-0.4044754954,0.1491059675,0.0680967412,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Pd,4.0,AB2C_cF16_225_a_c_b:Ge-Li-Pd +mp-865260,Lu2ZnIr,-5.4997729,-0.7147531925,0.0,-0.0028611325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Lu-Zn +mp-865406,Lu2ZnAu,-4.030361505,-0.6364798425,0.0,-0.00360679,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Lu-Zn +mp-22771,Pu(MnSi)2,-9.130620366,-0.4421193712,0.0,-0.0550116648,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Mn-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Mn-Pu-Si +mp-1192305,Dy3Si2Ni,-5.7883511979,-0.7131623212,0.0,-0.0184224612,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Dy-Ni-Si,24.0,A3BC2_oP24_62_3c_c_2c:Dy-Ni-Si +mp-1077126,DySiNi4,-6.13898184,-0.6135399083,0.0,-0.0686404221,GGA,Cmmm,AB4C_oC12_65_a_fg_c:Dy-Ni-Si,6.0,AB4C_oC12_65_a_fg_c:Dy-Ni-Si +mp-542389,Dy(SiNi5)2,-6.0768128104,-0.441521295,0.0,-0.0192744081,GGA,P4/nmm,AB10C2_tP26_129_c_d2i_e:Dy-Ni-Si,26.0,AB10C2_tP26_129_c_d2i_e:Dy-Ni-Si +mp-1191905,Dy3(SiNi3)2,-6.0543842391,-0.6587645427000001,0.0,-0.0266161099,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Dy-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Dy-Ni-Si +mp-4171,DySi2Ni,-6.1472531863,-0.8378632913,0.0,-0.0749552675,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Dy-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Dy-Ni-Si +mp-1213227,DySi3Ni5,-6.2234620408,-0.6919704486,0.0,-0.0252590812,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Dy-Ni-Si,36.0,AB5C3_oP36_62_c_5c_3c:Dy-Ni-Si +mp-1228345,Dy3Si3Ni,-5.8788828171,-0.75367549,0.0369543961,0.0369543961,GGA,Imm2,A3BC3_oI14_44_a2b_a_a2b:Dy-Ni-Si,,A3BC3_oI14_44_a2b_a_a2b:Dy-Ni-Si +mp-4692,Dy(SiNi)2,-6.232438178,-0.828898926,0.0,-0.064183009,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Ni-Si +mp-15205,Dy2Si5Ni3,-6.125010454,-0.7569530670000001,0.0061768728,0.0061768728,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Dy-Ni-Si,20.0,"Invalid WP multiplicities - A2B3C5_oI40_72_j_2a2j_bfj:Dy-Ni-Si, expected Dy2Si5Ni6 to be Dy2Si5Ni3" +mp-1212898,DySiNi,-6.0586398408,-0.7878926575,0.0,-0.036479677,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ni-Si,12.0,ABC_oP12_62_c_c_c:Dy-Ni-Si +mp-1225306,Dy2Si3Ni,-5.8972938633,-0.6856831217,0.1371200083,0.1371200083,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Dy-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Dy-Ni-Si +mp-631507,BeBiOs2,-6.5508511725,0.9578080412,1.0379576226,1.0379576226,GGA,F-43m,ABC2_cF16_216_a_c_bd:Be-Bi-Os,4.0,ABC2_cF16_216_a_c_bd:Be-Bi-Os +mp-862614,LiTm2Ru,-5.3707107975,-0.3369617342,0.0,-0.0329395827,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Li-Ru-Tm +mp-20855,Eu(Sb3Ru)4,-6.1478704176,-0.4477158976,0.0,-0.0393983632,GGA,Im-3,AB4C12_cI34_204_a_c_g:Eu-Ru-Sb,17.0,AB4C12_cI34_204_a_c_g:Eu-Ru-Sb +mp-1096673,MnCdRh2,-3.844918765,2.358461433,2.4476189425,2.4476189425,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mn-Rh,4.0,ABC2_oI8_71_a_b_e:Cd-Mn-Rh +mp-581831,Gd5CuBi3,-10.2536743433,-0.6979759811,0.0,-0.0311361889,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Gd,18.0,"Invalid WP multiplicities - A3BC5_hP18_193_g_b_4d4g:Bi-Cu-Gd, expected Gd20CuBi3 to be Gd5CuBi3" +mp-1093709,ScCu2Ag,-2.44545991,1.8953997021,2.1081702262,2.1081702262,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cu-Sc,4.0,AB2C_oI8_71_a_e_b:Ag-Cu-Sc +mp-1095743,Sc2CuAg,-2.7648356775,2.1343395433,2.41824379,2.41824379,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cu-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Cu-Sc +mp-1223251,La2(TlPb)3,-3.914633945,-0.4023983375,0.00359008,0.00359008,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:La-Pb-Tl,8.0,A2B3C3_oP8_47_i_cl_def:La-Pb-Tl +mp-1095839,Sc2CuNi,-3.49335637,2.14271402,2.5367002075,2.5367002075,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ni-Sc,4.0,ABC2_oI8_71_a_b_e:Cu-Ni-Sc +mp-1186945,Sc2CuNi,-6.0264363875,-0.3903659975,0.00362019,0.00362019,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ni-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Ni-Sc +mp-20091,Np2InNi2,-8.004606518,0.0368967725,0.1376322937,0.1376322937,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Np,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Np +mp-975591,NdHf,-7.075385805,0.2872824262,0.2872824262,0.2872824262,GGA,P-6m2,AB_hP2_187_a_d:Hf-Nd,2.0,AB_hP2_187_a_d:Hf-Nd +mp-1209861,Nd3HfSb5,-6.0239488222,-1.0343224303,0.0,-0.005388944,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Hf-Nd-Sb,18.0,AB3C5_hP18_193_b_g_dg:Hf-Nd-Sb +mp-1186270,Nd3Hf,-5.865204845,0.2002029869,0.2002029869,0.2002029869,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Nd,4.0,AB3_tI8_139_a_bd:Hf-Nd +mp-1186269,Nd3Hf,-5.867251365,0.1981564669,0.1981564669,0.1981564669,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Nd,4.0,AB3_cP4_221_a_c:Hf-Nd +mp-1096465,Sr2CdAg,-0.81795792,0.9656502475,1.2871364322,1.2871364322,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cd-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Cd-Sr +mp-1207589,Yb3Sb4Au3,-3.8766557455,-0.7810081655000001,0.061656193,0.061656193,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Sb-Yb,,A3B4C3_cI40_220_a_c_b:Au-Sb-Yb +mp-5334,YbSbAu,-3.9171242383,-0.9362937317,0.0,-0.1145719076,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Sb-Yb,,ABC_hP6_186_b_b_a:Au-Sb-Yb +mp-864783,Yb2SbAu,-3.6536834125,-1.0331584625,0.0,-0.0334094294,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Sb-Yb,,ABC2_cF16_225_a_b_c:Au-Sb-Yb +mp-863735,ErRh2Pb,-6.32957828,-0.5773328750000001,0.0,-0.0081948588,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Pb-Rh +mp-1097142,TlCdHg2,-0.396261175,0.5769622342,0.6014182672,0.6014182672,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Hg-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-Hg-Tl +mp-1096332,Tl2CdHg,-0.71704499,0.7709191146000001,0.7831471311,0.7831471311,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Tl,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Tl +mp-3011,Th(GeRh)2,-7.14964294,-0.871937,0.0,-0.1988772743,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Th +mp-1218057,Ta5Ga2Sn,-8.8424671456,-0.1731356394,0.0121147646,0.0121147646,GGA,Fmmm,A2BC5_oF64_69_fh_i_g2m:Ga-Sn-Ta,16.0,"Invalid WP multiplicities - A2BC5_oF64_69_fh_i_g3m:Ga-Sn-Ta, expected Ta7Ga2Sn to be Ta5Ga2Sn" +mp-1188317,Ta5Ga2Sn,-8.7453636863,-0.07603218,0.1092182239,0.1092182239,GGA,I4/mcm,A2BC5_tI32_140_h_a_bk:Ga-Sn-Ta,16.0,A2BC5_tI32_140_h_a_bk:Ga-Sn-Ta +mp-1105637,Eu3(GaAs2)2,-7.0389164739,-0.8762863556,0.0034335638,0.0034335638,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:As-Eu-Ga,18.0,A4B3C2_mC36_15_2f_ef_f:As-Eu-Ga +mp-1225526,Eu(GaAs)2,-5.7778321465,-0.6515460155,0.0,-0.0165439636,GGA,P2/m,A2BC2_mP20_10_2m2n_cdn_2m2n:As-Eu-Ga,20.0,A2BC2_mP20_10_2m2n_adn_2m2n:As-Eu-Ga +mp-28734,Zr6CoCl15,-6.0087139614,-2.0940516216,0.0,-0.0491179872,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Cl-Co-Zr,22.0,"Invalid WP multiplicities - A15BC6_cI44_229_b2h_a_e:Cl-Co-Zr, expected Zr6CoCl27 to be Zr6CoCl15" +mp-20103,TmInPt,-5.42724017,-0.9943560122,0.0,-0.0988177208,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-Tm,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Pt-Tm, expected Tm3In3Pt5 to be TmInPt" +mp-1187679,TmInPt2,-5.7758311775,-0.9333847292,0.0135496575,0.0135496575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pt-Tm,4.0,AB2C_cF16_225_a_c_b:In-Pt-Tm +mp-1208203,Tm5(In2Pt)2,-4.954553145,-0.8156278108,0.0,-0.0837780632,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Tm,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pt-Tm +mp-11085,YbCdAu,-2.6141403,-0.70201362,0.0,-0.0492573001,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Cd-Yb,,ABC_oP12_62_c_c_c:Au-Cd-Yb +mp-865740,YbCdAu2,-2.92004372,-0.66747821,0.0,-0.0467144919,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Yb,,A2BC_cF16_225_c_a_b:Au-Cd-Yb +mp-1215969,Yb20(CdAu3)3,-2.6672889013,-0.6977334987,0.0,-0.0078142109,GGA,P422,A9B3C20_tP32_89_ap_bcd_gh2p:Au-Cd-Yb,,"Invalid WP multiplicities - A9B3C20_tP32_89_ap_bcd_2g2h16p:Au-Cd-Yb, expected Yb136(CdAu3)3 to be Yb20(CdAu3)3" +mp-1097256,Li2GaHg,-0.944251955,0.8431535752,1.1876642537,1.1876642537,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-Li,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-Li +mp-1097500,LiGaHg2,-0.7103513775,0.6757435273,0.8702170282,0.8702170282,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Ga-Hg-Li +mp-1207433,Zr6FeSe2,-8.2007025367,-0.7842527650000001,0.0,-0.0121813055,GGA,Pnnm,AB2C6_oP36_58_g_2g_6g:Fe-Se-Zr,36.0,AB2C6_oP36_58_g_2g_6g:Fe-Se-Zr +mp-961651,ZrFeSe,-7.5294119533,-0.6915341808000001,0.3633470167,0.3633470167,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Se-Zr,3.0,ABC_cF12_216_c_a_b:Fe-Se-Zr +mp-1215397,Zr4FeSe8,-6.8990203162,-1.4660883507,0.0510450969,0.0510450969,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Fe-Se-Zr,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_4ij_hi:Fe-Se-Zr, expected Zr4FeSe12 to be Zr4FeSe8" +mp-1183796,CeTmMg2,-3.40742266,-0.0050514904,0.0335612333,0.0335612333,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:Ce-Mg-Tm +mp-867904,AlGeRu2,-7.2247519025,-0.4953997113,0.0,-0.011682844,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ge-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Ge-Ru +mp-1093552,Mg2CdPt,-1.4099282625,1.1387175325,1.669987005,1.669987005,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Pt,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Pt +mp-1096490,MgCdPt2,-2.0680512875,1.598307825,2.1071676687,2.1071676687,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Cd-Mg-Pt +mp-1096030,MnZn2Co,-2.6886291375,2.0088259393,2.0758948711,2.0758948711,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Mn-Zn,4.0,ABC2_oI8_71_a_b_e:Co-Mn-Zn +mp-1093596,MnZnCo2,-3.6657928075,2.4938058155,2.535869461,2.535869461,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Mn-Zn,4.0,A2BC_oI8_71_e_a_b:Co-Mn-Zn +mp-1096120,ZrTiTc2,-5.7797250275,3.5113926067,3.8777546203,3.8777546203,GGA,Immm,A2BC_oI8_71_e_a_b:Tc-Ti-Zr,4.0,A2BC_oI8_71_e_a_b:Tc-Ti-Zr +mp-1183585,CaHoZn2,-2.571947825,-0.2950738325,0.0083950832,0.0083950832,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ho-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Ho-Zn +mp-11155,NdMgGa,-3.62095754,-0.4887830383,0.0,-0.0715678456,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Nd,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Nd +mp-1026775,CeMg14Ga,-1.9632626188,-0.0029435014,0.0837099663,0.0837099663,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Ga-Mg, expected CeMg18Ga to be CeMg14Ga" +mp-1026773,CeMg14Ga,-1.9285201056,0.0317990117,0.1184524795,0.1184524795,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Ga-Mg, expected CeMg26Ga to be CeMg14Ga" +mp-21375,CeMgGa,-3.8857303433,-0.3652419342,0.0,-0.0421924774,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Ga-Mg,9.0,ABC_hP9_189_f_ad_g:Ce-Ga-Mg +mp-1099329,CeMg6Ga,-2.3167890125,0.0035691722,0.154512286,0.154512286,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Ga-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ce-Ga-Mg +mp-1099330,CeMg6Ga,-2.3292608313,-0.0089026466,0.1420404673,0.1420404673,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Ga-Mg,8.0,ABC6_oC16_38_a_b_abde:Ce-Ga-Mg +mp-1072798,ErAlZn,-3.640379945,-0.449367195,0.0,-0.0008545267,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Er-Zn,6.0,ABC_hP6_194_c_a_d:Al-Er-Zn +mp-1184084,Er2AlZn,-3.9167082,-0.381518935,0.0015454956,0.0015454956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Er-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Er-Zn +mp-505142,Np(SiPt)2,-7.950780098,-0.7626436218,0.0,-0.2424301186,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Np-Pt-Si,10.0,AB2C2_tP10_129_c_ac_bc:Np-Pt-Si +mp-862685,LiAc2Ir,-5.02164725,-0.2742204846,0.0,-0.1412489363,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Ac-Ir-Li +mp-675690,Ba2PtAu,-4.0286588962,-0.7329175962000001,0.0029170888,0.0029170888,GGA,Pmc2_1,AB2C_oP24_26_2ab_3a3b_a2b:Au-Ba-Pt,24.0,"Invalid WP multiplicities - AB2C_oP24_26_2a3b_5a6b_3ab:Au-Ba-Pt, expected Ba11Pt4Au5 to be Ba2PtAu" +mp-1228329,Ba2PtAu,-4.02531956,-0.72957826,0.006256425,0.006256425,GGA,Amm2,AB2C_oC8_38_a_ab_b:Au-Ba-Pt,4.0,AB2C_oC8_38_a_ab_b:Au-Ba-Pt +mp-1187646,YbHoPd2,-5.013010905,-0.8925657125,0.00918061,0.00918061,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pd-Yb,,AB2C_cF16_225_a_c_b:Ho-Pd-Yb +mp-865255,LuNbRu2,-8.725684875,-0.432919715,0.0,-0.0891646042,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Lu-Nb-Ru +mp-1213967,CeCrSb3,-6.1509077965,-0.5562797275,0.0021425455,0.0021425455,GGA,Pbcm,ABC3_oP20_57_d_c_c2d:Ce-Cr-Sb,20.0,ABC3_oP20_57_d_c_c2d:Ce-Cr-Sb +mp-1184155,ErHfIr2,-8.9340446375,-0.8836005875,0.0511848725,0.0511848725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Hf-Ir,4.0,ABC2_cF16_225_a_b_c:Er-Hf-Ir +mp-1184534,GdLuCd2,-4.1675455375,0.9431675325,1.2678712475,1.2678712475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Gd-Lu,4.0,A2BC_cF16_225_c_a_b:Cd-Gd-Lu +mp-1213054,Eu2TlCl5,-6.4506480572000005,-2.4357318014,0.0,-0.0205459159,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-Eu-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Cl-Eu-Tl +mp-866283,CaHoRh2,-5.96064239,-0.6314862675,0.001346333,0.001346333,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ho-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Ho-Rh +mp-1226665,CeCuPt4,-6.3539759333,-0.6345044158,0.062115665,0.062115665,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Cu-Pt,6.0,ABC4_hP6_187_a_c_ek:Ce-Cu-Pt +mp-1185436,Lu2GaRu,-5.8621684625,-0.5260685619000001,0.0126566337,0.0126566337,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Ga-Lu-Ru +mp-1185013,LaYbPt2,-5.78402329,-1.1295527838,0.0,-0.0051233951,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Pt-Yb,,AB2C_cF16_225_a_c_b:La-Pt-Yb +mp-862903,PmGaAg2,-3.666533325,-0.3055957371,0.0204378025,0.0204378025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ga-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Ga-Pm +mp-1100765,Pm2GaAg,-4.26096927,-0.4205351023,0.0,-0.1375615088,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Pm +mp-974790,Rb5Tl11Cd2,-1.92519454,-0.1064431791,0.0,-0.011730519,GGA,Amm2,A2B5C11_oC36_38_c_ade_a2b2d2e:Cd-Rb-Tl,18.0,"Invalid WP multiplicities - A2B5C11_oC36_38_c_a2d2e_a2b4d4e:Cd-Rb-Tl, expected Rb9Tl19Cd2 to be Rb5Tl11Cd2" +mp-1200130,Rb5Tl9,-1.9874389543,-0.1184061913,0.0,-0.0118509104,GGA,P-62m,A5B9_hP42_189_ad2i_egh2ij:Rb-Tl,42.0,A5B9_hP42_189_ad2i_egh2ij:Rb-Tl +mp-867797,RbTl3,-2.087261915,-0.0701460369,0.012738297,0.012738297,GGA,P6_3/mmc,AB3_hP8_194_c_h:Rb-Tl,8.0,AB3_hP8_194_c_h:Rb-Tl +mp-975198,RbTl3,-2.0290822325,-0.0119663544,0.0709179795,0.0709179795,GGA,Fm-3m,AB3_cF16_225_a_bc:Rb-Tl,4.0,AB3_cF16_225_a_bc:Rb-Tl +mp-974758,Rb3Tl,-1.2649809425,0.0610803985,0.1153267234,0.1153267234,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Tl,4.0,A3B_tI8_139_ad_b:Rb-Tl +mp-974739,Rb3Tl,-1.26110765,0.064953691,0.1192000159,0.1192000159,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Tl,4.0,A3B_cF16_225_ac_b:Rb-Tl +mp-542781,Rb8Tl11,-1.9063255518,-0.125623068,0.0,-0.0189882525,GGA,R-3c,A8B11_hR114_167_cf_cef:Rb-Tl,38.0,A8B11_hR114_167_cf_cef:Rb-Tl +mp-1227351,Ca2Ga7Ag,-3.171020316,-0.3669775239,0.0,-0.0143675002,GGA,P-4m2,AB2C7_tP10_115_a_g_bcd2g:Ag-Ca-Ga,10.0,"Invalid WP multiplicities - AB2C7_tP10_115_a_g_bcd4g:Ag-Ca-Ga, expected Ca2Ga11Ag to be Ca2Ga7Ag" +mp-1227320,Ca2GaAg,-2.82025395,-0.3522910035,0.0542821725,0.0542821725,GGA,Amm2,AB2C_oC8_38_a_ab_b:Ag-Ca-Ga,4.0,AB2C_oC8_38_a_ab_b:Ag-Ca-Ga +mp-1096181,Ca2GaAg,-1.2461895675,1.221773379,1.628346555,1.628346555,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Ga,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Ga +mp-1221872,Mn2GaRh,-7.3365728575,-0.1574642383,0.1825155385,0.1825155385,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Mn-Rh,4.0,AB2C_cF16_216_a_bc_d:Ga-Mn-Rh +mp-1221629,MnGaRh2,-7.2101903225,-0.4805085589,0.048673165,-0.0513712725,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ga-Mn-Rh,4.0,ABC2_tP4_123_a_b_h:Ga-Mn-Rh +mp-864949,MnGaRh2,-7.2588634875,-0.5291817239000001,0.0,-0.1000444375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Mn-Rh +mp-862918,PmHoMg2,-3.22386375,-0.0904859269,0.0,-0.001086725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Pm +mp-1192210,LiDySn,-4.1582638525,-0.6498366653000001,0.0,-0.0729829048,GGA,P6_3mc,ABC_hP24_186_ac_bc_bc:Dy-Li-Sn,24.0,ABC_hP24_186_ac_bc_bc:Dy-Li-Sn +mp-1091364,LiDySn2,-4.0694433037,-0.4357299496,0.120316506,0.120316506,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Dy-Li-Sn,8.0,ABC2_oC16_63_c_c_2c:Dy-Li-Sn +mp-30493,ZnCdPt2,-4.025258805,-0.4440338025,0.0,-0.0083261375,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Cd-Pt-Zn,4.0,AB2C_tP4_123_a_h_b:Cd-Pt-Zn +mp-1183190,AcZn2In,-2.6261617225,-0.2780752331,0.0249366671,0.0249366671,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-In-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-In-Zn +mp-1183106,Ac2ZnIn,-3.375365565,-0.3119212263,0.0,-0.080342274,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-In-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-In-Zn +mp-1106196,Lu4Ga12Ni,-4.0628036953,-0.5215630465000001,0.0,-0.0039182872,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Lu-Ni,17.0,A12B4C_cI34_229_de_c_a:Ga-Lu-Ni +mp-1200461,Lu2Ga3Ni14,-5.5731974366,-0.3601394036,0.0062235726,0.0062235726,GGA,P6_3/mmc,A3B2C14_hP38_194_g_bc_fjk:Ga-Lu-Ni,38.0,A3B2C14_hP38_194_g_bc_fjk:Ga-Lu-Ni +mp-1102758,LuGaNi,-5.1123411775,-0.6692801033,0.0,-0.0320312664,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Lu-Ni,12.0,ABC_oP12_62_c_c_c:Ga-Lu-Ni +mp-1201787,Lu2Ga5Ni12,-5.2675251839,-0.3441556412,0.0918269319,0.0918269319,GGA,P6_3/mmc,A5B2C12_hP38_194_fg_bc_jk:Ga-Lu-Ni,38.0,A5B2C12_hP38_194_fg_bc_jk:Ga-Lu-Ni +mp-1222400,Lu2Ga3Ni,-4.6162397717,-0.6318521404,0.0273687052,0.0273687052,GGA,Cm,A3B2C_mC12_8_3a_2a_a:Ga-Lu-Ni,6.0,A3B2C_mC12_8_3a_2a_a:Ga-Lu-Ni +mp-1222569,Lu3Ga10Ni,-3.9893769043,-0.4448091568,0.0541033668,0.0541033668,GGA,Cm,A10B3C_mC28_8_10a_3a_a:Ga-Lu-Ni,14.0,A10B3C_mC28_8_10a_3a_a:Ga-Lu-Ni +mp-1197016,Lu4Ga21Ni10,-4.4765798097000005,-0.4915745139,0.0035140077,0.0035140077,GGA,C2/m,A21B4C10_mC70_12_a10i_2i_5i:Ga-Lu-Ni,35.0,A21B4C10_mC70_12_a10i_2i_5i:Ga-Lu-Ni +mp-973878,Lu3Ga5Ni,-4.4873642433,-0.6558677597,0.0,-0.0288188903,GGA,P-62m,A5B3C_hP9_189_cf_g_b:Ga-Lu-Ni,9.0,"Invalid WP multiplicities - A5B3C_hP9_189_c2f_g_b:Ga-Lu-Ni, expected Lu3Ga8Ni to be Lu3Ga5Ni" +mp-1025552,LuGa2Ni,-4.74329507,-0.6539752588000001,0.0,-0.0521558399,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Lu-Ni,8.0,A2BC_oC16_63_f_c_c:Ga-Lu-Ni +mp-1103114,LuGa4Ni,-4.2331039825,-0.4975254342,0.0,-0.0040531778,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Lu-Ni,12.0,A4BC_oC24_63_acf_c_c:Ga-Lu-Ni +mp-1206147,Lu2GaNi2,-5.349921784,-0.6238676995,0.0,-0.013222626,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Lu-Ni,,AB2C2_oI10_71_a_f_h:Ga-Lu-Ni +mp-1222980,LuGaNi2,-5.2394995979,-0.4621696223,0.1419322458,0.1150228937,GGA,P-3m1,ABC2_hP24_164_i_3d_abcdi:Ga-Lu-Ni,24.0,ABC2_hP24_164_i_3d_abcdi:Ga-Lu-Ni +mp-1210999,LuGaNi2,-5.3814318437,-0.6041018681,0.0,-0.0269093522,GGA,P6_3/mmc,ABC2_hP24_194_abc_df_k:Ga-Lu-Ni,24.0,ABC2_hP24_194_abc_df_k:Ga-Lu-Ni +mp-1185503,LuGaNi2,-5.27780965,-0.5004796744,0.1036221937,0.0767128416,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Lu-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Lu-Ni +mp-1105906,Lu6GaNi2,-5.0468329928,-0.4119360481,0.0,-0.0291280024,GGA,Immm,AB6C2_oI36_71_ab_lmn_fg:Ga-Lu-Ni,18.0,AB6C2_oI36_71_ab_lmn_fg:Ga-Lu-Ni +mp-1222813,LuGa2Ni3,-5.2136601161,-0.5607346819,0.0,-0.0221506083,GGA,P-62m,A2BC3_hP18_189_fg_ad_gj:Ga-Lu-Ni,18.0,A2BC3_hP18_189_fg_ad_gj:Ga-Lu-Ni +mp-1079394,LiDyGe,-4.4269640711000005,-0.7140515506,0.0,-0.1000707333,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Ge-Li,9.0,ABC_hP9_189_f_ad_g:Dy-Ge-Li +mp-982666,LiAl2Tc,-5.2220178875,-0.2818395196,0.0245225629,0.0245225629,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Tc,4.0,A2BC_cF16_225_c_a_b:Al-Li-Tc +mp-1228900,AlGeMo,-6.6810883656,-0.2763371006,0.0,-0.0206107591,GGA,P3_212,ABC_hP9_153_a_a_a:Al-Ge-Mo,9.0,ABC_hP9_153_a_a_a:Al-Ge-Mo +mp-1228992,AlGe3Mo2,-6.7725281433,-0.2215348742,0.0,-0.0002637218,GGA,P1,AB3C2_aP18_1_3a_9a_6a:Al-Ge-Mo,18.0,AB3C2_aP18_1_3a_9a_6a:Al-Ge-Mo +mp-1213071,Dy2(Al3Pd)3,-4.8672038707,-0.6912466150000001,0.0010037312,0.0010037312,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Pd,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Pd +mp-1212879,Dy4(Al8Pd3)3,-4.9007172549,-0.7131522935,0.0,-0.0299036104,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Dy-Pd,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Dy-Pd +mp-1103382,DyAlPd,-5.392648905,-0.881900745,0.0,-0.107464333,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Dy-Pd,12.0,ABC_oP12_62_c_c_c:Al-Dy-Pd +mp-1212377,Ho6Ta4Al43,-4.7575978101,-0.305044519,0.0,-0.0168291786,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Ta +mp-1097164,Ti2CrRh,-5.20076446,3.0013203833,3.47064229,3.47064229,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Cr-Rh-Ti +mp-1206908,TiSbRh,-6.80049916,-0.3375654511,0.3162611928,0.3162611928,GGA,F-43m,ABC_cF12_216_a_b_c:Rh-Sb-Ti,3.0,ABC_cF12_216_a_b_c:Rh-Sb-Ti +mp-16687,Ti5Sb2Rh,-7.4024820263,-0.5150107221,0.0786202529,0.0786202529,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Rh-Sb-Ti,16.0,AB2C5_tI32_140_a_h_bk:Rh-Sb-Ti +mp-1105923,Ho2Si4Mo3,-7.6944200417,-0.6496377983,0.0,-0.0840593312,GGA,P2_1/c,A2B3C4_mP18_14_e_ae_2e:Ho-Mo-Si,18.0,A2B3C4_mP18_14_e_ae_2e:Ho-Mo-Si +mp-1093724,MnSiOs2,-5.6502329175,3.610284128,3.8404567422,3.8404567422,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Os-Si,4.0,AB2C_oI8_71_a_e_b:Mn-Os-Si +mp-570713,TiAlPt,-6.819312465,-0.9152454094,0.0,-0.0743057676,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Al-Pt-Ti,6.0,ABC_hP6_194_c_d_a:Al-Pt-Ti +mp-978976,Ti6Al16Pt7,-5.9733825831,-0.8078619410000001,0.0,-0.0327873466,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Pt-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Pt-Ti +mp-867278,DyPaTc2,-8.853882855,-0.1432005075,0.0,-0.0063466844,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Dy-Pa-Tc +mp-1186457,Pm2CoRu,-6.52333772,-0.052386475,0.0,-0.052386475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Co-Pm-Ru +mp-1219323,ScMnCr,-8.4060266508,-0.0235160285,0.0479328675,0.0479328675,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Mn-Sc,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Mn-Sc, expected Sc3(MnCr)2 to be ScMnCr" +mp-862950,PmPd2Pb,-5.3645281475,-0.6587898944,0.0,-0.0804618925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Pm +mp-631497,BeInBi,-2.7500940633,0.693767845,0.7110593867,0.7110593867,GGA,F-43m,ABC_cF12_216_a_c_b:Be-Bi-In,3.0,ABC_cF12_216_a_c_b:Be-Bi-In +mp-1205581,Ho2CdCu2,-3.955793449,-0.298569281,0.0,-0.004471318,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Ho,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Ho +mp-12007,HoCdCu4,-3.8982093117,-0.2478550933,0.0,-0.0516046439,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Cu-Ho,6.0,AB4C_cF24_216_a_e_c:Cd-Cu-Ho +mp-865869,Be2CuPt,-4.8719349525,-0.4596435225,0.0,-0.1230404255,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Cu-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Cu-Pt +mp-1184366,Gd2TlAg,-8.6896156225,-0.352754715,0.0,-0.00819956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Tl +mp-974523,NdErTl2,-3.861784045,-0.346495911,0.0031136925,0.0031136925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Nd-Tl +mp-1202947,Fe2Re5As12,-7.2386994329,-0.12964158,0.0003411902,0.0003411902,GGA,Pnnm,A12B2C5_oP38_58_6g_g_a2g:As-Fe-Re,38.0,A12B2C5_oP38_58_6g_g_a2g:As-Fe-Re +mp-1186310,NdEuAg2,-5.4544235575,-0.2818582477,0.0068830206,0.0068830206,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-Nd +mp-1186278,Nd3Eu,-6.09034666,0.0500143644,0.0500143644,0.0500143644,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Nd,4.0,AB3_cP4_221_a_c:Eu-Nd +mp-1186319,NdEu3,-8.8272750788,0.0575131294,0.0575131294,0.0575131294,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Nd,8.0,A3B_hP8_194_h_c:Eu-Nd +mp-1093939,Ba2SbBr,-2.8792616175,-0.499266755,1.173057157,1.173057157,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Br-Sb,4.0,A2BC_oI8_71_e_a_b:Ba-Br-Sb +mp-1079727,LuSnPt,-5.9404393144,-1.0732207494,0.0,-0.1673665719,GGA,P-62m,ABC_hP9_189_f_ad_g:Lu-Pt-Sn,9.0,ABC_hP9_189_f_ad_g:Lu-Pt-Sn +mp-1093615,Hf2MnOs,-6.462452055,3.6134881405,4.0666183022,4.0666183022,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mn-Os,4.0,A2BC_oI8_71_e_a_b:Hf-Mn-Os +mp-1184587,Hf2MnOs,-10.5162590075,-0.440318812,0.0128113497,0.0128113497,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Mn-Os,4.0,A2BC_cF16_225_c_a_b:Hf-Mn-Os +mp-1209864,Nd3ZrSb5,-5.9005161867,-1.0674996169,0.0107440561,0.0107440561,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Nd-Sb-Zr,18.0,A3B5C_hP18_193_g_dg_b:Nd-Sb-Zr +mp-1186238,Nd2GaAg,-4.256774095,-0.4075373723,0.01423429,0.01423429,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Nd,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Nd +mp-1220217,NdGa3Ag,-3.774227614,-0.4372293133,0.0212068717,0.0212068717,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ag-Ga-Nd,5.0,AB3C_tI10_107_a_ab_a:Ag-Ga-Nd +mp-1204281,HfGe2Ru,-7.682308045,-0.562896225,0.0050052471,0.0050052471,GGA,Pbam,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Ru,48.0,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Ru +mp-1080489,HfGeRu,-8.7027478156,-0.7512080072,0.0,-0.0875322309,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Hf-Ru,9.0,ABC_hP9_189_ad_f_g:Ge-Hf-Ru +mp-1184684,HfGeRu2,-8.9474201625,-0.6651646713,0.0,-0.1017586658,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hf-Ru,4.0,ABC2_cF16_225_a_b_c:Ge-Hf-Ru +mp-1078429,EuGa3Pd,-5.566965075,-0.6627307395,0.0,-0.0608420055,GGA,Cmcm,AB3C_oC20_63_c_ce_c:Eu-Ga-Pd,10.0,AB3C_oC20_63_c_ce_c:Eu-Ga-Pd +mp-21222,Sm2InGe2,-5.022857499,-0.7358751570000001,0.0,-0.0136397555,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Sm,10.0,A2BC2_tP10_127_g_a_h:Ge-In-Sm +mp-1210793,Sm11(In3Ge2)2,-4.7883289845,-0.6499165424000001,0.0,-0.0196364025,GGA,I4/mmm,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Sm,42.0,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Sm +mp-1226944,CeGaPt4,-6.3048595,-0.7639064237000001,0.0896097229,0.0896097229,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Ga-Pt,6.0,ABC4_hP6_187_a_c_ek:Ce-Ga-Pt +mp-1103487,CeGaPt,-6.0217620383,-1.0109892058,0.0,-0.1483666472,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ga-Pt,12.0,ABC_oP12_62_c_c_c:Ce-Ga-Pt +mp-1226576,CeGa3Pt,-4.9027178540000005,-0.6850157455,0.014246235,0.014246235,GGA,I-4m2,AB3C_tI10_119_c_af_b:Ce-Ga-Pt,5.0,AB3C_tI10_119_c_af_b:Ce-Ga-Pt +mp-1096737,ZrInCo2,-3.914973415,2.4640315725,2.7272738925,2.7228852268,GGA,Immm,A2BC_oI8_71_e_a_b:Co-In-Zr,4.0,A2BC_oI8_71_e_a_b:Co-In-Zr +mp-1188066,ZrInCo2,-6.6422473075,-0.26324232,0.0,-0.0043886657,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-In-Zr,4.0,A2BC_cF16_225_c_a_b:Co-In-Zr +mp-22150,Zr2InCo2,-7.156608406,-0.34386429,0.0,-0.0241034876,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Co-In-Zr,10.0,A2BC2_tP10_127_g_a_h:Co-In-Zr +mp-607475,Zr4In5Co2,-5.9961858409,-0.3447443173,0.0,-0.0370876939,GGA,P2/m,A2B5C4_mP11_10_m_a2m_2n:Co-In-Zr,11.0,"Invalid WP multiplicities - A2B5C4_mP11_10_m_a4m_4n:Co-In-Zr, expected Zr8In9Co2 to be Zr4In5Co2" +mp-610190,Zr9(In2Co)7,-5.8072157043,-0.3001789558,0.0,-0.0099358714,GGA,Fm-3m,A7B14C9_cF120_225_be_ch_af:Co-In-Zr,30.0,"Invalid WP multiplicities - A7B14C9_cF120_225_b2e_ch_a2f:Co-In-Zr, expected Zr17In14Co13 to be Zr9(In2Co)7" +mp-1105803,Dy4Ge6Ir7,-7.2306040053,-0.87564202,0.0,-0.1265259113,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Dy-Ge-Ir,17.0,A4B6C7_cI34_229_c_e_ad:Dy-Ge-Ir +mp-1188410,DyGe2Ir,-6.4728454919,-0.8000263094000001,0.0,-0.0188710371,GGA,Immm,AB2C_oI32_71_eg_efn_n:Dy-Ge-Ir,16.0,AB2C_oI32_71_eg_efn_n:Dy-Ge-Ir +mp-1190128,Dy2Ge5Ir3,-6.6025136280000005,-0.7181120785,0.0030464514,0.0030464514,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Dy-Ge-Ir,20.0,A2B5C3_oI40_72_j_afj_bj:Dy-Ge-Ir +mp-1197115,Dy5(Ge5Ir2)2,-6.2837272355,-0.7775193687,0.0,-0.004137995,GGA,P4/mbm,A5B10C4_tP38_127_a2h_gij_i:Dy-Ge-Ir,38.0,A5B10C4_tP38_127_a2h_gij_i:Dy-Ge-Ir +mp-1203111,Dy3Ge13Ir4,-5.9798888473,-0.5162158795,0.0090170617,0.0090170617,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Ir,40.0,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Ir +mp-21323,DyGeIr,-6.9585978242,-0.9358481992,0.0,-0.0692850269,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Ir,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Ir +mp-581730,Ho4Ga21Ni10,-4.4982609371,-0.5062318299,0.0014796637,0.0014796637,GGA,C2/m,A21B4C10_mC70_12_a10i_2i_5i:Ga-Ho-Ni,35.0,"Invalid WP multiplicities - A21B4C10_mC70_12_a20i_3i_8i:Ga-Ho-Ni, expected Ho6Ga41Ni16 to be Ho4Ga21Ni10" +mp-30645,HoGa4Ni,-4.2801130925,-0.5342914858,0.0,-0.0132273209,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ho-Ni,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2a2c3f_c_c:Ga-Ho-Ni, expected HoGa10Ni to be HoGa4Ni" +mp-1224460,HoGa2Ni3,-5.2241933022,-0.5610248097,0.0,-0.0424380361,GGA,P-62m,A2BC3_hP18_189_fg_ad_gj:Ga-Ho-Ni,18.0,A2BC3_hP18_189_fg_ad_gj:Ga-Ho-Ni +mp-1207237,Ho2GaNi2,-5.337111248,-0.5864738235,0.0,-0.010005157,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ho-Ni,5.0,AB2C2_oI10_71_a_f_h:Ga-Ho-Ni +mp-1200030,Ho3GaNi,-4.9584070219,-0.4473151594,0.0150153361,0.0150153361,GGA,I4/mcm,AB3C_tI140_140_chl_bgh2m_afl:Ga-Ho-Ni,70.0,AB3C_tI140_140_chl_bgh2m_afl:Ga-Ho-Ni +mp-1025433,HoGa2Ni,-4.7587360825000005,-0.6540516837,0.0,-0.0574774105,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ho-Ni,8.0,A2BC_oC16_63_f_c_c:Ga-Ho-Ni +mp-11442,HoGaNi,-5.11216205,-0.6486148592000001,0.0,-0.0321064311,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ho-Ni,12.0,ABC_oP12_62_c_c_c:Ga-Ho-Ni +mp-1191722,Ho3(GaNi3)2,-5.5181041577,-0.5649915455,0.0,-0.0297357832,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Ga-Ho-Ni,22.0,A2B3C6_cI44_229_c_e_h:Ga-Ho-Ni +mp-1106064,Ho4Ga12Ni,-4.11786153,-0.5621600929,0.0,-0.0123737974,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Ho-Ni,17.0,A12B4C_cI34_229_de_c_a:Ga-Ho-Ni +mp-1224099,Ho2Ga3Ni,-4.6503641467,-0.6454903988,0.0039413429,0.0039413429,GGA,Cm,A3B2C_mC12_8_3a_2a_a:Ga-Ho-Ni,6.0,A3B2C_mC12_8_3a_2a_a:Ga-Ho-Ni +mp-1189374,Ho6GaNi2,-5.0436004394,-0.3677312614,0.0030814417,0.0030814417,GGA,Immm,AB6C2_oI36_71_ab_lmn_fg:Ga-Ho-Ni,18.0,AB6C2_oI36_71_ab_lmn_fg:Ga-Ho-Ni +mp-1096512,NbAlTc2,-5.24940423,3.39263546,3.7177808544,3.7177808544,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Nb-Tc +mp-1183803,CeDyMg2,-3.4463792075,-0.0112701838,0.0459404762,0.0459404762,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Dy-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Dy-Mg +mp-862836,PmAlAu2,-4.419561675,-0.6585911369,0.0,-0.07021819,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Pm,4.0,AB2C_cF16_225_a_c_b:Al-Au-Pm +mp-1219227,Sm2AlAg3,-3.9449460383,-0.3315433533,0.0,-0.008592873,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Ag-Al-Sm,6.0,A3BC2_mC12_8_3a_a_2a:Ag-Al-Sm +mp-862749,SmAlAg2,-3.845485735,-0.3131672421,0.0237191894,0.0237191894,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Sm +mp-1216529,Tm2SbTe,-5.379027165,-1.32303267,0.0,-0.0407153825,GGA,R-3m,ABC2_hR12_166_a_b_c:Sb-Te-Tm,4.0,ABC2_hR12_166_a_b_c:Sb-Te-Tm +mp-1186292,NdAlAg2,-3.83888464,-0.2941758227,0.0403602876,0.0403602876,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Nd +mp-984544,Dy2ZnIr,-5.4668945725,-0.638956705,0.025593914,0.025593914,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Zn +mp-1186750,PrInPd2,-5.1775107125,-0.7044224362,0.0195058446,0.0195058446,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Pr,4.0,AB2C_cF16_225_a_c_b:In-Pd-Pr +mp-1200326,Pr(In2Pd)2,-4.3069441137,-0.571600643,0.0,-0.0116266708,GGA,Pmc2_1,A4B2C_oP70_26_10a10b_4a6b_3a2b:In-Pd-Pr,70.0,A4B2C_oP70_26_10a10b_4a6b_3a2b:In-Pd-Pr +mp-861587,Pr2In8Pd,-3.7904617873,-0.4490833182,0.0058390354,0.0058390354,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:In-Pd-Pr,11.0,"Invalid WP multiplicities - A8BC2_tP11_123_e2h2i_a_g:In-Pd-Pr, expected Pr2In14Pd to be Pr2In8Pd" +mp-21870,Pr2InPd2,-5.325515741,-0.790863969,0.0,-0.0105299647,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Pr,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Pr +mp-637427,PrIn2Pd,-4.5013472403,-0.6353084840000001,0.005492726,0.005492726,GGA,I4mm,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Pr,40.0,"Invalid WP multiplicities - A2BC_tI80_107_3c6d6e_2b2c3d_2a3c4d:In-Pd-Pr, expected Pr5(In7Pd2)2 to be PrIn2Pd" +mp-680610,Pr4In21Pd10,-4.210360004,-0.5329943054,0.0012643613,0.0012643613,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:In-Pd-Pr,35.0,"Invalid WP multiplicities - A21B10C4_mC70_12_a19i_10i_3i:In-Pd-Pr, expected Pr6In39Pd20 to be Pr4In21Pd10" +mp-1079206,PrInPd,-5.0098833122,-0.7723928806,0.0,-0.0506646827,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Pr,9.0,ABC_hP9_189_f_bc_g:In-Pd-Pr +mp-1224532,Hf2(TiGa)3,-6.9082987675,-0.3226559953,0.139238199,0.139238199,GGA,P6_3/mcm,A3B2C3_hP16_193_g_d_g:Ga-Hf-Ti,16.0,A3B2C3_hP16_193_g_d_g:Ga-Hf-Ti +mp-1212187,Hf3Ti2Ga3,-7.3233676113,-0.4800127124,0.0,-0.0448426948,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Ga-Hf-Ti,16.0,A3B3C2_hP16_193_g_g_d:Ga-Hf-Ti +mp-1095941,Zr2TcRu,-5.8428861325,3.3397245538,3.870124585,3.7865927803,GGA,Immm,ABC2_oI8_71_a_b_e:Ru-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Ru-Tc-Zr +mp-1188003,Zr2TcRu,-9.7130107175,-0.5304000312,0.0,-0.0835318047,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ru-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Ru-Tc-Zr +mp-1207311,Nd2AgSb3,-2.0162193333,2.1097564314,2.9988254247,2.9988254247,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-Nd-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-Nd-Sb +mp-510374,GdAs,-10.90027572,-1.5326553975,0.0,-1.5326553975,GGA,Fm-3m,AB_cF8_225_a_b:As-Gd,2.0,AB_cF8_225_a_b:As-Gd +mp-582433,Gd(NiAs)2,-7.773575496,-0.7826490140000001,0.0,-0.0108798632,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Gd-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Gd-Ni +mp-1206977,GdNiAs,-9.2270466567,-1.055254215,0.0,-0.03348395,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Gd-Ni,3.0,ABC_hP3_187_a_d_e:As-Gd-Ni +mp-981530,YbPrPd2,-4.984499755,-0.8144303412,0.0118753813,0.0118753813,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Pr-Yb,,A2BC_cF16_225_c_a_b:Pd-Pr-Yb +mp-1210309,Na3TbBr6,-3.8592828575,-2.0672716615,0.0,-0.008500814,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Br-Na-Tb,20.0,A6B3C_mP20_14_3e_ae_b:Br-Na-Tb +mp-1184535,GdHoIr2,-9.8685129675,-0.7846631,0.0,-0.1479888828,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Ho-Ir,4.0,ABC2_cF16_225_a_b_c:Gd-Ho-Ir +mp-1097237,Mn2CoRe,-5.9110869875,3.5581319035,3.5912875283,3.5912875283,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Mn-Re,4.0,AB2C_oI8_71_a_e_b:Co-Mn-Re +mp-1189350,La5AsPb3,-5.3379048267,-0.8404498111,0.0,-0.0057058383,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:As-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:As-La-Pb +mp-1097628,Be2IrAu,-2.7400307325,2.157754745,2.4653823308,2.4653823308,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Ir,4.0,AB2C_oI8_71_a_e_b:Au-Be-Ir +mp-863655,Pm2CdSn,-4.14108715,-0.5327005850000001,0.0,-0.1313859325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Cd-Pm-Sn +mp-1095910,HfTaOs2,-6.9073470825,4.1600782975,4.6522814614,4.6522814614,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Os-Ta,4.0,AB2C_oI8_71_a_e_b:Hf-Os-Ta +mp-978089,Pr2IrAu,-6.0637983675000005,-0.6452664450000001,0.0640377579,0.0640377579,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Pr,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Pr +mp-1206824,NpGa5Fe,-5.3680327929,-0.1454212209,0.0651809385,0.0651809385,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Fe-Ga-Np,7.0,AB5C_tP7_123_b_ci_a:Fe-Ga-Np +mp-1222402,LiGdSe2,-7.60339218,-1.8591751645,0.070551335,0.0328791847,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Gd-Li-Se,4.0,ABC2_tP4_123_a_d_bc:Gd-Li-Se +mp-37680,LiGdSe2,-7.6609621375,-1.916745122,0.0129813775,-0.0246907728,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Gd-Li-Se,8.0,ABC2_tI16_141_a_b_e:Gd-Li-Se +mp-15792,LiGdSe2,-7.673943515,-1.9297264995,0.0,-0.0376721503,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Li-Se,4.0,ABC2_hR12_166_a_b_c:Gd-Li-Se +mp-1203569,Sc12Ir3Br16,-5.912146511,-1.8039727987,0.0,-0.099008886,GGA,P-1,A16B3C12_aP31_2_8i_ai_6i:Br-Ir-Sc,31.0,A16B3C12_aP31_2_8i_ai_6i:Br-Ir-Sc +mp-1224358,HfSb4Mo,-6.55883027,-0.33902292,0.0,-0.0032043803,GGA,Cm,ABC4_mC12_8_a_a_4a:Hf-Mo-Sb,6.0,ABC4_mC12_8_a_a_4a:Hf-Mo-Sb +mp-862335,LiAsRh2,-5.86447911,-0.5403148571,0.0,-0.0702678172,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Li-Rh,4.0,ABC2_cF16_225_a_b_c:As-Li-Rh +mp-862862,Pa3Sb,-8.5580785475,-0.3898297425,0.0,-0.1135341822,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Sb,4.0,A3B_cP4_221_c_a:Pa-Sb +mp-1186409,PaSb3,-5.9486629275,-0.4732458325,0.0121579638,0.0121579638,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Sb,8.0,AB3_hP8_194_c_h:Pa-Sb +mp-19987,Pa3Sb4,-7.068675415,-0.6315327093,0.0,-0.043156292,GGA,I-43d,A3B4_cI28_220_a_c:Pa-Sb,14.0,A3B4_cI28_220_a_c:Pa-Sb +mp-861992,PaNi2Sb,-6.76954311,-0.468558295,0.0086858163,0.0086858163,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Pa-Sb,4.0,A2BC_cF16_225_c_a_b:Ni-Pa-Sb +mp-1018880,PaSb2,-6.5714274417,-0.6472050617,0.0,-0.10009202,GGA,P4/nmm,AB2_tP6_129_c_ac:Pa-Sb,6.0,AB2_tP6_129_c_ac:Pa-Sb +mp-865868,LiZrRh2,-6.9289307175,-0.6326209083000001,0.0,-0.0657101283,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Zr,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Zr +mp-1194358,Hf9Re4Ge,-10.6584278689,-0.3715823071,0.0,-0.0146604949,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Ge-Hf-Re,28.0,AB9C4_hP28_194_c_hk_ah:Ge-Hf-Re +mp-7366,Sr(AgSn)2,-3.4320783,-0.357328466,0.0,-0.0493031777,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Sn-Sr,5.0,A2B2C_tI10_139_d_e_a:Ag-Sn-Sr +mp-1097189,Sr2AgSn,-1.5286761675,1.0266025237,1.5459907472,1.5459907472,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Sn-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Sn-Sr +mp-1013714,Ba3SbAs,-3.370630302,-0.461621409,0.6231983427000001,0.6231983427000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ba-Sb,5.0,AB3C_cP5_221_a_c_b:As-Ba-Sb +mp-1013562,Ba3SbAs,-3.765989692,-0.856980799,0.2278389527,0.2278389527,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ba-Sb,5.0,AB3C_cP5_221_b_c_a:As-Ba-Sb +mp-10769,BaSbAu,-3.4876785633000003,-0.3803925033,0.6090817383,0.4252248093,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Au-Ba-Sb,6.0,ABC_hP6_194_a_c_d:Au-Ba-Sb +mp-568895,BaSbAu,-4.0967603017,-0.9894742417,0.0,-0.1838569291,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ba-Sb,6.0,ABC_hP6_194_c_a_d:Au-Ba-Sb +mp-570298,Ba(SbAu)2,-3.954387252,-0.6094389680000001,0.0090949397,0.0090949397,GGA,P2_1/m,A2BC2_mP10_11_2e_e_2e:Au-Ba-Sb,10.0,"Invalid WP multiplicities - A2BC2_mP10_11_3e_e_2e:Au-Ba-Sb, expected BaSb2Au3 to be Ba(SbAu)2" +mp-862631,Ba2SbAu,-3.7948474625,-0.9846391825,0.0,-0.0233946417,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ba-Sb,4.0,AB2C_cF16_225_a_c_b:Au-Ba-Sb +mp-1096463,Sc2CdAu,-2.4678046825,1.74762281,2.2967541075,2.2967541075,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cd-Sc,4.0,ABC2_oI8_71_a_b_e:Au-Cd-Sc +mp-1186938,Sc2CdAu,-4.745949485,-0.5305219925,0.018609305,0.018609305,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cd-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Cd-Sc +mp-973170,ScCdAu2,-4.047072455,-0.5962917388,0.017803895,0.017803895,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Sc,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Sc +mp-1093943,InAg2Au,-1.88408506,1.0385843742,1.1446243667,1.1446243667,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Au-In,4.0,A2BC_oI8_71_e_a_b:Ag-Au-In +mp-1097088,InAgAu2,-2.08938599,0.9436149433,1.0623151482,1.0623151482,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-In,4.0,AB2C_oI8_71_a_e_b:Ag-Au-In +mp-1184870,InAgAu2,-3.14371912,-0.1107181867,0.0079820182,0.0079820182,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-In,4.0,AB2C_cF16_225_a_c_b:Ag-Au-In +mp-1192637,Cr5(Bi3Se8)2,-5.3969458307,-0.6842511725,0.0530789432,0.0530789432,GGA,Cm,A6B5C16_mC54_8_2a2b_a2b_4a6b:Bi-Cr-Se,27.0,A6B5C16_mC54_8_2a2b_a2b_4a6b:Bi-Cr-Se +mp-864912,YbGaPt,-4.5814858325,-1.035206625,0.0,-0.1879662067,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Yb,,ABC_oP12_62_c_c_c:Ga-Pt-Yb +mp-1104517,Yb3Ga9Pt2,-3.7848975407,-0.6410435634,0.0,-0.0094272917,GGA,Immm,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Yb,,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Yb +mp-1215605,YbAgSn,-3.1890346733,-0.3951226272,0.17728067,0.1055233967,GGA,P-3m1,ABC_hP6_164_d_d_c:Ag-Sn-Yb,,ABC_hP6_164_d_d_c:Ag-Sn-Yb +mp-11069,YbAgSn,-3.3663153433,-0.5724032972,0.0,-0.0717572733,GGA,P-6m2,ABC_hP9_187_ah_cg_fi:Ag-Sn-Yb,,"Invalid WP multiplicities - ABC_hP9_187_ah_c2g_fi:Ag-Sn-Yb, expected Yb3Ag3Sn5 to be YbAgSn" +mp-1187820,YbAg2Sn,-3.225075405,-0.4215023696,0.0078001033,0.0078001033,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sn-Yb,,A2BC_cF16_225_c_a_b:Ag-Sn-Yb +mp-866212,Yb2AgSn,-3.064519735,-0.5841836304,0.0,-0.0235282075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Sn-Yb,,ABC2_cF16_225_a_b_c:Ag-Sn-Yb +mp-1095823,Zn2AgIr,-1.7667110125,1.7809083383000002,1.9445454746,1.9445454746,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Ir-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Ir-Zn +mp-983444,LiPmZn2,-2.5631728650000003,-0.2684347627,0.0,-0.0520293171,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Pm-Zn +mp-1208915,Sm2Sc3Si4,-6.3612540214,-0.7906038319,0.0,-0.035281695,GGA,Pnma,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Sm,36.0,A3B4C2_oP36_62_cd_2cd_d:Sc-Si-Sm +mp-8320,SmScSi,-6.10024234,-0.6081179167,0.0106154707,0.0106154707,GGA,I4/mmm,ABC_tI12_139_c_e_e:Sc-Si-Sm,6.0,ABC_tI12_139_c_e_e:Sc-Si-Sm +mp-1205812,Sm2ScSi2,-6.030264002,-0.706208515,0.0,-0.0249228305,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Sc-Si-Sm,10.0,AB2C2_tP10_127_a_g_h:Sc-Si-Sm +mp-864923,MgZnPd2,-3.96785991,-0.66291309,0.0,-0.00384871,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Zn +mp-1097358,MgZn2Pd,-1.2223056975,1.1026065725,1.5112666519,1.5112666519,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Pd-Zn,4.0,ABC2_oI8_71_a_b_e:Mg-Pd-Zn +mp-978265,Mg2ZnPd,-2.8381022175,-0.4280558375,0.0068468743,0.0068468743,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pd-Zn,4.0,A2BC_cF16_225_c_a_b:Mg-Pd-Zn +mp-631441,NbBi2Mo,-6.4923064075,0.6646769450000001,0.7018267225,0.7018267225,GGA,F-43m,A2BC_cF16_216_ac_b_d:Bi-Mo-Nb,4.0,A2BC_cF16_216_ac_b_d:Bi-Mo-Nb +mp-1198372,Nb16Bi47,-5.1988434533,0.2316941617,0.2316941617,0.2316941617,GGA,I-4m2,A47B16_tI126_119_ae5i3j_2e3i:Bi-Nb,63.0,A47B16_tI126_119_ae5i3j_2e3i:Bi-Nb +mp-1220638,Nb3Bi,-8.33182432,0.2042767425,0.2042767425,0.2042767425,GGA,Cmmm,AB3_oC8_65_b_ck:Bi-Nb,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Bi-Nb, expected Nb5Bi to be Nb3Bi" +mp-568014,Nb3Bi,-8.5159750038,0.0201260587,0.0201260587,0.0201260587,GGA,Pm-3n,AB3_cP8_223_a_c:Bi-Nb,8.0,AB3_cP8_223_a_c:Bi-Nb +mp-1184103,DyThRu2,-8.0700790625,-0.42771652,0.010470128,0.010470128,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Th,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Th +mp-1227387,Ca(ErTe2)2,-5.0807411371,-1.6929895552,0.00982709,0.00982709,GGA,P2/m,AB2C4_mP7_10_c_bd_mn:Ca-Er-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Ca-Er-Te, expected Ca(ErTe4)2 to be Ca(ErTe2)2" +mp-1206569,Tm2MgSi2,-4.943878784,-0.6633613927,0.0,-0.0344506811,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Si-Tm,10.0,AB2C2_tP10_127_a_g_h:Mg-Si-Tm +mp-1097222,SrScTl2,-1.6779928475,1.5088193654,1.8192568917,1.8192568917,GGA,Immm,ABC2_oI8_71_a_b_e:Sc-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:Sc-Sr-Tl +mp-1097599,Hf2CuTc,-5.3571559875,3.2363999313,3.573994035,3.5644818637,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Hf-Tc,4.0,AB2C_oI8_71_a_e_b:Cu-Hf-Tc +mp-1184609,Hf2CuTc,-8.9311500225,-0.3375941037,0.0,-0.0095121713,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Hf-Tc,4.0,AB2C_cF16_225_a_c_b:Cu-Hf-Tc +mp-865307,Tm2CuIr,-6.13896326,-0.6666353358,0.0034878099,0.0034878099,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Tm +mp-1025325,NpGa5Co,-5.2487639143,-0.2206814016,0.0079784943,0.0079784943,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Np,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Np +mp-1019361,ThSbTe,-6.1429864433,-1.2475979822,0.0,-0.0803647368,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sb-Te-Th,6.0,ABC_tP6_129_a_c_c:Sb-Te-Th +mp-1187523,Th2SbTe,-6.6241330325,-1.0991271242,0.05618366,0.05618366,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sb-Te-Th,4.0,ABC2_cF16_225_a_b_c:Sb-Te-Th +mp-12743,CrTe4Au,-4.6768599433,-0.4268344361,0.0,-0.0028164935,GGA,P2/m,ABC4_mP6_10_b_c_mn:Au-Cr-Te,6.0,"Invalid WP multiplicities - ABC4_mP6_10_b_c_2m2n:Au-Cr-Te, expected CrTe8Au to be CrTe4Au" +mp-865470,Ac2CuSn,-4.4317161875,-0.3439340525,0.0,-0.1325666675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Sn +mp-1095736,BeNbCo2,-3.9391827175,3.0751556563,3.3136069126,3.3136069126,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Co-Nb,4.0,AB2C_oI8_71_a_e_b:Be-Co-Nb +mp-1095274,LiYbAs,-3.7776221625,-1.0750723119,0.0,-0.1230995855,GGA,Pnma,ABC_oP12_62_c_c_c:As-Li-Yb,,ABC_oP12_62_c_c_c:As-Li-Yb +mp-1186343,NdGdHg2,-5.3552463225,-0.4923387219,0.0007649925,0.0007649925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Nd +mp-863679,ErTaRu2,-9.1712915275,-0.4277161475,0.0,-0.0803734728,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Ta +mp-1096015,ZrScCu2,-3.0859600475,2.6836857212,2.9015002825,2.9015002825,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Cu-Sc-Zr +mp-1225483,ErIn2Sn,-3.905435815,-0.3852712838,0.0129125906,0.0129125906,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Er-In-Sn,4.0,AB2C_tP4_123_a_e_c:Er-In-Sn +mp-863249,GdGaRh2,-8.7127650275,-0.7545565269000001,0.0,-0.013400015,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Gd-Rh +mp-865449,Tm2MgTc,-5.276101085,-0.0479536246,0.0748520244,0.0748520244,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tc-Tm,4.0,ABC2_cF16_225_a_b_c:Mg-Tc-Tm +mp-1095713,CuAgPd2,-2.174549505,2.1483320683,2.2394351175,2.2394351175,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cu-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Cu-Pd +mp-1214011,Ce3Sb4Pt7,-6.3449778636,-0.8583203161,0.0819266224,0.0819266224,GGA,C2/m,A3B7C4_mC28_12_ai_c3i_2i:Ce-Pt-Sb,14.0,A3B7C4_mC28_12_ai_d3i_2i:Ce-Pt-Sb +mp-1188608,Ce3Sb4Pt3,-6.401787886,-1.1489206475,0.0,-0.2151816119,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Ce-Pt-Sb,20.0,A3B3C4_cI40_220_a_b_c:Ce-Pt-Sb +mp-1226689,CeSbPt,-6.1099614983,-0.7322202600000001,0.4059854588,0.4059854588,GGA,P6/mmm,ABC_hP6_191_e_c_d:Ce-Pt-Sb,6.0,ABC_hP6_191_e_c_d:Ce-Pt-Sb +mp-1104762,CeSbPt5,-6.4547624171,-0.6807971321,0.0397597036,0.0397597036,GGA,C2/m,AB5C_mC28_12_ad_3ij_i:Ce-Pt-Sb,14.0,AB5C_mC28_12_ad_3ij_i:Ce-Pt-Sb +mp-1104316,CeSbPt5,-6.479264545,-0.70529926,0.0152575757,0.0152575757,GGA,R-3,AB5C_hR42_148_ab_2cf_c:Ce-Pt-Sb,14.0,AB5C_hR42_148_ab_2cf_c:Ce-Pt-Sb +mp-21161,SmSnPt,-5.9839227433,-1.05082564,0.0160999667,-0.1887409631,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Sm-Sn,12.0,ABC_oP12_62_c_c_c:Pt-Sm-Sn +mp-21007,SmSnPt,-6.00002271,-1.0669256067,0.0,-0.2048409298,GGA,P-62m,ABC_hP9_189_ad_f_g:Pt-Sm-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Pt-Sm-Sn, expected Sm3Sn3Pt5 to be SmSnPt" +mp-4147,Th(GePd)2,-6.21803402,-0.8140985040000001,0.0,-0.1325716502,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-Th +mp-542964,Eu(TmSe2)2,-6.9368090896000005,-2.1950492957,0.0,-0.0078044429,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-Se-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Eu-Se-Tm +mp-1184443,Eu3Tm,-8.7282320738,0.0834781321,0.0834781321,0.0834781321,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Tm,8.0,A3B_hP8_194_h_c:Eu-Tm +mp-1219184,Sm2CdSb4,-4.6312367757,-0.7917986343000001,0.001171196,0.001171196,GGA,P-4m2,AB4C2_tP7_115_c_abg_g:Cd-Sb-Sm,7.0,AB4C2_tP7_115_c_abg_g:Cd-Sb-Sm +mp-1207310,Sm2CdSb3,-1.9359768867,1.8552007383,2.7443108254,2.7443108254,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Cd-Sb-Sm,6.0,AB3C2_tP6_123_a_bg_g:Cd-Sb-Sm +mp-569151,MnGaPt,-6.5412449967,-0.4541634518,0.0,-0.0341714868,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Mn-Pt,6.0,ABC_hP6_194_c_a_d:Ga-Mn-Pt +mp-20269,MnGaPt,-6.26836113,-0.1812795851,0.2728838667,0.2387123799,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Mn-Pt,3.0,ABC_cF12_216_c_a_b:Ga-Mn-Pt +mp-864948,MnGaPt2,-6.56213297,-0.4790384814,0.0090562919,0.0090562919,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mn-Pt,4.0,ABC2_cF16_225_a_b_c:Ga-Mn-Pt +mp-1188640,Zr5Sn3As,-7.3770023606,-0.7740760139,0.0,-0.0562111542,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:As-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:As-Sn-Zr +mp-1184390,Gd2TlZn,-8.3161009475,-0.3724431383,0.00028957,0.00028957,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Gd-Tl-Zn +mp-1018708,GdTlZn,-6.233702195,-0.3341991961,0.0091400967,0.0091400967,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Gd-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Gd-Tl-Zn +mp-1207955,TmZnRh,-5.1260035533,-0.7593745856,0.0,-0.0575263435,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Tm-Zn,12.0,ABC_oP12_62_c_c_c:Rh-Tm-Zn +mp-865299,TmZnRh2,-5.8344477925,-0.7183990992,0.0,-0.03578331,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tm-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Tm-Zn +mp-972022,Tm2ZnRh,-5.04433843,-0.6504078483,0.018838755,0.018838755,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Rh-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Rh-Tm-Zn +mp-1097517,HfTiTc2,-6.08275506,3.5607346742,4.0511011375,4.0511011375,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Tc-Ti +mp-1093803,Ti2MoRu,-5.5439675175000005,3.4337916533,3.8644311111,3.8644311111,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Ru-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Ru-Ti +mp-1096334,Ti2AgMo,-4.26788377,3.0994137667,3.188044825,3.188044825,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Ag-Mo-Ti +mp-631548,Tl2SiNi,-3.3405055325,0.6421797183,0.8742779852,0.8742779852,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Si-Tl,4.0,ABC2_cF16_225_a_b_c:Ni-Si-Tl +mp-1187550,Tl3Si,-2.772351935,0.3559599325,0.3559599325,0.3559599325,GGA,I4/mmm,AB3_tI8_139_a_bd:Si-Tl,4.0,AB3_tI8_139_a_bd:Si-Tl +mp-1187496,Tl3Si,-2.74750336,0.3808085075,0.3808085075,0.3808085075,GGA,Pm-3m,AB3_cP4_221_a_c:Si-Tl,4.0,AB3_cP4_221_a_c:Si-Tl +mp-972082,Tl3Si,-2.76684699,0.3614648775,0.3614648775,0.3614648775,GGA,Fm-3m,AB3_cF16_225_a_bc:Si-Tl,4.0,AB3_cF16_225_a_bc:Si-Tl +mp-1185405,LiLu2Re,-5.8477538075,0.0010839654,0.121668332,0.121668332,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Re,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Re +mp-1224523,GdPd2Pt,-7.211459095,0.4152957,1.3075279992,1.3075279992,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Gd-Pd-Pt,4.0,AB2C_tP4_123_a_e_c:Gd-Pd-Pt +mp-976039,LuBe13,-3.9763999432,-0.18116296,0.0,-0.18116296,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Lu,28.0,A13B_cF112_226_bi_a:Be-Lu +mp-973544,Lu2BeOs,-6.187881375,-0.1857110413,0.1360855043,0.1360855043,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Be-Lu-Os +mp-1206475,La2AgSb3,-2.1643299617,2.0175990272,3.035297655,3.035297655,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-La-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-La-Sb +mp-1212026,La2AgSb3,-2.157284415,2.0246445739,3.0423432017,3.0423432017,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-La-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-La-Sb +mp-20271,LaAgSb2,-4.8515788725,-0.8449374754000001,0.0,-0.0918652554,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Ag-La-Sb,8.0,ABC2_tP8_129_a_c_bc:Ag-La-Sb +mp-1186519,PrEuAg2,-5.4570381325,-0.2812832421,0.0019108606,0.0019108606,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-Pr,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-Pr +mp-1193604,Cs2BeCl4,-4.0204228618,-2.1740851119,0.0,-0.0980562982,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-Cl-Cs,28.0,AB4C2_oP28_62_c_2cd_2c:Be-Cl-Cs +mp-22545,EuGa3Co2,-5.9989353383,-0.4059477621,0.0,-0.0312490967,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Co-Eu-Ga,12.0,"Invalid WP multiplicities - A2BC3_oC24_63_e_c_c2g:Co-Eu-Ga, expected EuGa5Co2 to be EuGa3Co2" +mp-1197356,Eu(Ga4Co)2,-4.7998838084,-0.3727560293,0.0,-0.0219137839,GGA,Pbam,A2BC8_oP44_55_2g_g_ad2g5h:Co-Eu-Ga,44.0,A2BC8_oP44_55_2g_g_ad2g5h:Co-Eu-Ga +mp-861937,Ba2AsAu,-3.891635465,-0.9488978937,0.0,-0.0016534367,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Au-Ba,4.0,ABC2_cF16_225_a_b_c:As-Au-Ba +mp-1077361,BaAsAu,-4.214853205,-0.9308614233,0.0,-0.1673592969,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Au-Ba,6.0,ABC_hP6_194_c_d_a:As-Au-Ba +mp-1217258,ThSc,-6.831988885,0.0411747925,0.0411747925,0.0411747925,GGA,R-3m,AB_hR6_166_a_b:Sc-Th,2.0,AB_hR6_166_a_b:Sc-Th +mp-1217496,ThScFe6,-8.2118949825,-0.1410881556,0.0,-0.0013163991,GGA,R3m,A6BC_hR72_160_6a4b_3a_3a:Fe-Sc-Th,24.0,"Invalid WP multiplicities - A6BC_hR72_160_6a12b_3a_3a:Fe-Sc-Th, expected ThScFe14 to be ThScFe6" +mp-1187457,ThSc3,-6.56647335,0.0363430413,0.0363430413,0.0363430413,GGA,I4/mmm,A3B_tI8_139_ad_b:Sc-Th,4.0,A3B_tI8_139_ad_b:Sc-Th +mp-1187381,TbTaRu2,-9.08746896,-0.3272317575,0.0,-0.0069974749,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Tb,4.0,A2BC_cF16_225_c_a_b:Ru-Ta-Tb +mp-1077752,TbCu4Au,-4.3901309183,-0.3392851217,0.0,-0.0301296492,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-Tb,6.0,AB4C_cF24_216_a_e_c:Au-Cu-Tb +mp-863664,Pm2CuGe,-5.0221222225,-0.46629243,0.0,-0.1859771244,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ge-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Ge-Pm +mp-1213025,ErSbRh,-6.3401610092,-0.9864850358,0.0,-0.0766059261,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Rh-Sb,12.0,ABC_oP12_62_c_c_c:Er-Rh-Sb +mp-1184244,ErSbRh2,-6.6010623125,-0.7447283650000001,0.0577935194,0.0577935194,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Sb +mp-1183546,CaTbRh2,-5.948671,-0.60652557,0.0,-0.0049588345,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Tb +mp-571376,Dy4CdCo,-4.6583525096,-0.2486266904,0.0,-0.0376261646,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Co-Dy,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_3e4f5g:Cd-Co-Dy, expected Dy33(CdCo)2 to be Dy4CdCo" +mp-567352,Ga(SbBr)4,-3.5821470028,-0.7203454136,0.0164051175,0.0164051175,GGA,Pna2_1,A4BC4_oP72_33_8a_2a_8a:Br-Ga-Sb,72.0,"Invalid WP multiplicities - A4BC4_oP72_33_31a_4a_30a:Br-Ga-Sb, expected Ga4Sb30Br31 to be Ga(SbBr)4" +mp-1184261,EuBiAu2,-5.7380091925,-0.57669546,0.0032586475,0.0032586475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Eu,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Eu +mp-1018695,EuBiAu,-6.5313658867,-0.7409082433,0.0,-0.0322182883,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Bi-Eu,6.0,ABC_hP6_186_b_b_a:Au-Bi-Eu +mp-1183887,Eu2BiAu,-7.7778503425,-0.8707566600000001,0.0007771104,0.0007771104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Eu,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Eu +mp-541059,Rb2(ReSe2)3,-6.4010903134,-0.9219886256,0.0,-0.1057748322,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Rb-Re-Se,44.0,A2B3C6_mC88_15_2ef_3f_6f:Rb-Re-Se +mp-865020,HfMgIr2,-8.154511745,-0.8459273850000001,0.0,-0.1428904843,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Mg,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Mg +mp-637965,Gd(FeGe)2,-8.500638096,-0.448194022,0.0,-0.0389505583,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Gd-Ge,5.0,A2BC2_tI10_139_d_a_e:Fe-Gd-Ge +mp-865108,NaSmHg2,-2.0237741275,-0.3616560879,0.0,-0.0514034091,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Sm +mp-567997,Sm3(CoGe2)2,-5.9065393867,-0.6993721183,0.02227703,0.02227703,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Sm,9.0,"Invalid WP multiplicities - A2B4C3_mC18_12_i_4i_a2i:Co-Ge-Sm, expected Sm5(CoGe4)2 to be Sm3(CoGe2)2" +mp-1190439,Sm2Co3Ge5,-5.9742104035,-0.5864839105,0.0,-0.0053347095,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Sm,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Sm +mp-1204334,Sm3Co4Ge13,-5.5452397595,-0.4108201745,0.0288760494,0.0288760494,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Sm,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Sm +mp-1078752,SmCoGe2,-5.9290598,-0.66081989,0.0,-0.0222575573,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Sm,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Sm +mp-1079047,Sm2CoGe2,-5.855720572,-0.6974114170000001,0.0091212965,0.0091212965,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Sm,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Sm +mp-1206649,SmCoGe3,-5.69482882,-0.555631321,0.0,-0.026975409,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Ge-Sm,,AB3C_tI10_107_a_ab_a:Co-Ge-Sm +mp-20777,SmCoGe,-6.0839472958,-0.6006367008,0.0,-0.0151244022,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Sm,12.0,ABC_oP12_62_c_c_c:Co-Ge-Sm +mp-1219168,Sm2Co16Ge,-6.8089489889,-0.0829866287,0.0483722634,0.0483722634,GGA,R3m,A16BC2_hR57_160_a3bc_a_2a:Co-Ge-Sm,19.0,A16BC2_hR57_160_a3bc_a_2a:Co-Ge-Sm +mp-4334,Sm(CoGe)2,-6.242922568,-0.606667081,0.0,-0.078011169,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Sm,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Sm +mp-865804,TaZnRh2,-7.5008494025,-0.5393151575,0.0,-0.0715594052,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Ta-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Ta-Zn +mp-1097180,La2CdHg,-0.973501475,1.8011446088,2.213304405,2.213304405,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-La,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-La +mp-1185143,La2CdHg,-3.1746558575,-0.4000097737,0.0121500225,0.0121500225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-La,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-La +mp-862262,LaCdHg2,-2.074195155,-0.4576307562,0.0,-0.0569378987,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-La,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-La +mp-1205891,NdMgPd,-4.5020301589,-0.6525937281,0.0,-0.0772751841,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Nd-Pd,9.0,ABC_hP9_189_f_g_bc:Mg-Nd-Pd +mp-1224481,HfAlCu,-6.2669345167,-0.3329440067,0.0304885991,0.0304885991,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cu-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cu-Hf, expected Hf3(AlCu)2 to be HfAlCu" +mp-1223820,Hf2Al3Cu,-6.31922538,-0.4441733433,0.0,-0.0456798958,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Cu-Hf,6.0,A3BC2_hR18_166_d_a_c:Al-Cu-Hf +mp-10887,HfAlCu2,-5.80385939,-0.32856484,0.0,-0.0384084081,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Hf,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Hf +mp-861958,Ti2MnBe,-7.37649378,-0.2033907324,0.0,-0.0134662104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Mn-Ti,4.0,ABC2_cF16_225_a_b_c:Be-Mn-Ti +mp-1018041,Ti2MnIn,-6.9792086950000005,-0.0530379311,0.1401795956,0.1401795956,GGA,F-43m,ABC2_cF16_216_a_c_bd:In-Mn-Ti,4.0,ABC2_cF16_216_a_c_bd:In-Mn-Ti +mp-1196249,Ti11Ni9Pt4,-7.399919219,-0.6017452363,0.0085442374,0.0085442374,GGA,C2/c,A9B4C11_mC96_15_e4f_2f_c2e4f:Ni-Pt-Ti,48.0,A9B4C11_mC96_15_e4f_2f_a2e4f:Ni-Pt-Ti +mp-22657,Pu(SiRh)2,-8.891407142,-0.921989116,0.0,-0.265720944,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Pu-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Pu-Rh-Si +mp-3779,CrSiTe3,-5.340600708,-0.438944072,0.0,-0.0646830768,GGA,R-3,ABC3_hR30_148_c_c_f:Cr-Si-Te,10.0,ABC3_hR30_148_c_c_f:Cr-Si-Te +mp-1102866,YbSiPt,-5.3555444567,-1.0101912467,0.0,-0.1330119133,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Yb,,ABC_oP12_62_c_c_c:Pt-Si-Yb +mp-4936,Yb(SiPt)2,-5.828400992,-0.921898796,0.0,-0.064390244,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Yb,,A2B2C_tI10_139_d_e_a:Pt-Si-Yb +mp-1206622,Yb2(SiPt)3,-4.3523432262,0.3437281,1.298736565,1.298736565,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Yb,,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Yb +mp-1195477,Yb3Si11Pt23,-6.3815385338,-0.8698253032000001,0.0,-0.0517058808,GGA,Fm-3m,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Yb,,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Yb +mp-864645,YbSiPt2,-5.819967975,-1.0431697375,0.0,-0.0623959388,GGA,Pnma,A2BC_oP16_62_d_c_c:Pt-Si-Yb,,A2BC_oP16_62_d_c_c:Pt-Si-Yb +mp-631355,SrCrRh2,-6.1986565375,0.3191326283,0.5176573763,0.5176573763,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Rh-Sr,4.0,AB2C_cF16_225_a_c_b:Cr-Rh-Sr +mp-865341,Tm2InOs,-6.02088201,-0.2882015083,0.0923131575,0.0923131575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Os-Tm,4.0,ABC2_cF16_225_a_b_c:In-Os-Tm +mp-1184790,GdErRu2,-9.6180477525,-0.31988622,0.0,-0.028942284,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Gd-Ru +mp-866147,Lu2AgOs,-6.14523355,-0.3697774317,0.0,-0.0194481893,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Ag-Lu-Os +mp-866281,Er2PdRu,-6.60287309,-0.7054425975,0.0,-0.0522936778,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Pd-Ru +mp-1006068,Gd2AgRh,-10.1195393925,-0.5322623042,0.023258205,0.023258205,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Rh +mp-1186049,Na3Ir,-2.672037865,0.5294646501,0.5294646501,0.5294646501,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-Na,4.0,AB3_tI8_139_a_bd:Ir-Na +mp-631317,NaIrPb,-3.7514497567,0.8730857578000001,0.991058084,0.991058084,GGA,F-43m,ABC_cF12_216_a_c_b:Ir-Na-Pb,3.0,ABC_cF12_216_a_c_b:Ir-Na-Pb +mp-1096282,Zr2GaTc,-4.622552865,2.9984811919,3.4583667634,3.4583667634,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Ga-Tc-Zr +mp-504821,TlFeBr3,-4.0713082775,-0.9729584082,0.0530759978,0.0530759978,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Fe-Tl,20.0,A3BC_oP20_62_3c_c_c:Br-Fe-Tl +mp-568553,TlFeBr3,-3.998106716,-0.8997568467,0.1262775593,0.1262775593,GGA,P6_3cm,A3BC_hP30_185_cd_ab_c:Br-Fe-Tl,30.0,"Invalid WP multiplicities - A3BC_hP30_185_2c2d_2a3b_c:Br-Fe-Tl, expected Tl3(Fe4Br9)2 to be TlFeBr3" +mp-29423,TlFeBr4,-3.9245514108,-1.0837551314,0.0,-0.1234157127,GGA,Pnna,A4BC_oP24_52_2e_c_d:Br-Fe-Tl,24.0,"Invalid WP multiplicities - A4BC_oP24_52_3e_c_d:Br-Fe-Tl, expected TlFeBr6 to be TlFeBr4" +mp-1206452,Gd2GeBr2,-8.896750958,-1.720485159,0.0,-0.0719387669,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Br-Gd-Ge,5.0,A2B2C_hP5_164_d_d_a:Br-Gd-Ge +mp-30433,BaSn3Pt,-4.684949584,-0.681184819,0.0,-0.101697978,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ba-Pt-Sn,5.0,ABC3_tI10_107_a_a_ab:Ba-Pt-Sn +mp-21417,Eu(GeRu)2,-8.168571824,-0.558199306,0.0,-0.1542871512,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Ru,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Ru +mp-1005693,Sm2InHg,-3.5968501025,-0.4737160113,0.0,-0.0690599506,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Sm,4.0,ABC2_cF16_225_a_b_c:Hg-In-Sm +mp-1210010,NdIn2Cl5,-4.3920615525,-1.9527867784,0.0,-0.0185015455,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-In-Nd,32.0,A5B2C_oP32_62_3cd_d_c:Cl-In-Nd +mp-979267,Ta2FeMo,-10.9271782975,-0.1693716525,0.0,-0.0203670771,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Mo-Ta,4.0,ABC2_cF16_225_a_b_c:Fe-Mo-Ta +mp-1227797,Ce2HfCo16,-7.2562682005,-0.1217180921,0.0244547443,0.0244547443,GGA,P-3m1,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Hf,38.0,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Hf +mp-610631,LaGeAu,-5.1545961567,-0.8769571700000001,0.0,-0.1152742583,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-La,6.0,ABC_hP6_186_b_b_a:Au-Ge-La +mp-1200449,Ce3Sn13Ir4,-5.7612273307,-0.4973554157,0.0,-0.0199378747,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ce-Ir-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ce-Ir-Sn +mp-21358,Ce(SnIr)2,-6.862620248,-0.5368000030000001,0.0838694627,0.0838694627,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ir-Sn,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2a2c_2b2c:Ce-Ir-Sn, expected Ce(SnIr)4 to be Ce(SnIr)2" +mp-20835,CeSnIr,-7.11361566,-0.8532505967,0.0,-0.1599685831,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Ir-Sn,9.0,ABC_hP9_189_f_ad_g:Ce-Ir-Sn +mp-1097341,LaCd2Ag,-1.013380325,1.3902053321,1.6966185262,1.6966185262,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-La,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-La +mp-1097134,La2CdAg,-1.47476865,1.9320963433,2.2214554025,2.2214554025,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cd-La,4.0,ABC2_oI8_71_a_b_e:Ag-Cd-La +mp-867225,LaCdAg2,-3.1667818,-0.2857795821,0.0,-0.0218404113,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-La,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-La +mp-1213113,Er5(GeSb)2,-5.4753169294,-0.9928000139,0.0,-0.0126509591,GGA,Cmce,A5B2C2_oC36_64_ag_f_d:Er-Ge-Sb,18.0,A5B2C2_oC36_64_ag_f_d:Er-Ge-Sb +mp-975924,Ge3Ir2Se3,-5.9023884225,-0.6481776278,0.0,-0.1558139803,GGA,R-3,A3B2C3_hR96_148_2f_cf_2f:Ge-Ir-Se,32.0,A3B2C3_hR96_148_2f_cf_2f:Ge-Ir-Se +mp-1205063,Ge3Ir2Se3,-5.5623616525,-0.3081508578,0.34002677,0.1842127897,GGA,Pm-3,A3B2C3_cP32_200_j_i_k:Ge-Ir-Se,32.0,A3B2C3_cP32_200_j_i_k:Ge-Ir-Se +mp-13326,PrLuSe3,-6.116312676,-2.1583945344,0.0,-0.0077965031,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Lu-Pr-Se,10.0,ABC3_oC20_63_a_c_cf:Lu-Pr-Se +mp-1103734,Cr(Mo3Se4)2,-7.429441106,-0.5831584426,0.2070176173,0.2070176173,GGA,R-3,AB6C8_hR45_148_a_f_cf:Cr-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_c2f:Cr-Mo-Se, expected Cr(Mo3Se7)2 to be Cr(Mo3Se4)2" +mp-867145,LiHo2Ga,-3.8389510825,-0.3134919252,0.024723812,0.024723812,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ho-Li,4.0,AB2C_cF16_225_a_c_b:Ga-Ho-Li +mp-570106,Yb(AlCl4)2,-4.4137669898,-2.2483985152,0.0,-0.0301666657,GGA,I4_1/acd,A2B8C_tI88_142_e_2g_a:Al-Cl-Yb,,"Invalid WP multiplicities - A2B8C_tI88_142_e_16g_a:Al-Cl-Yb, expected Yb(AlCl32)2 to be Yb(AlCl4)2" +mp-1018689,ErZnIn,-3.2734434283,-0.413728045,0.0,-0.017095681,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Er-In-Zn,6.0,ABC_hP6_194_a_c_d:Er-In-Zn +mp-862788,Er2ZnIn,-3.67785904,-0.3911427999999999,0.0,-0.0032198125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-In-Zn,4.0,A2BC_cF16_225_c_a_b:Er-In-Zn +mp-1220670,Nb3AlCr8,-9.3190161667,-0.0461936075,0.034457493,0.034457493,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Cr-Nb,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Cr-Nb +mp-1220664,Nb3AlCr8,-9.3395665067,-0.0667439475,0.013907153,0.013907153,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Al-Cr-Nb,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Al-Cr-Nb, expected Nb3AlCr20 to be Nb3AlCr8" +mp-1220456,NbAlCr4,-8.7417024417,0.0014760167,0.1173075341,0.1173075341,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Cr-Nb,12.0,AB4C_hP12_164_d_abi_d:Al-Cr-Nb +mp-1220482,NbAlCr,-8.0192578817,-0.185948435,0.0457145998,0.0457145998,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cr-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cr-Nb, expected Nb3(AlCr)2 to be NbAlCr" +mp-1203416,Sm(Al10Cr)2,-4.4464191526,-0.1448453407,0.0081874971,0.0081874971,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Sm,46.0,A20B2C_cF184_227_cfg_d_a:Al-Cr-Sm +mp-1104931,Sm(Al2Cr)4,-5.8398799954000005,-0.2017736373,0.0258753005,0.0258753005,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Sm,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Sm +mp-978825,Sm3Cr,-5.5933979075,0.3588035613,0.3588035613,0.3588035613,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Sm,4.0,AB3_tI8_139_a_bd:Cr-Sm +mp-1209105,Sm6Al39Cr8,-5.0207969142,-0.2733751417,0.0032145733,0.0032145733,GGA,P6_3/mcm,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Cr-Sm,106.0,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Cr-Sm +mp-1203633,Sm6Al43Cr4,-4.5692666909,-0.2676918347,0.0,-0.0031294309,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Sm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Sm +mp-1213915,CeZnCo2,-5.5494134358,-0.1970463471,0.0381207226,0.0381207226,GGA,P6_3/mmc,AB2C_hP24_194_cf_k_abd:Ce-Co-Zn,24.0,AB2C_hP24_194_cf_k_abd:Ce-Co-Zn +mp-1207054,CeZn2Co,-4.1272741638,-0.2370506213,0.0361407347,0.0361407347,GGA,Cmcm,ABC2_oC16_63_c_c_g:Ce-Co-Zn,8.0,ABC2_oC16_63_c_c_g:Ce-Co-Zn +mp-865653,TiNbRe2,-11.095801915,-0.3743390583,0.0,-0.1053250225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Re-Ti,4.0,AB2C_cF16_225_a_c_b:Nb-Re-Ti +mp-1093972,TiNb2Re,-5.8157190325,4.3199382879,4.5240632442,4.5240632442,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-Ti,4.0,A2BC_oI8_71_e_a_b:Nb-Re-Ti +mp-1217024,Ti6PtAu,-7.5863428163,-0.4965968888,0.0033535481,0.0033535481,GGA,Pm-3,ABC6_cP8_200_a_b_f:Au-Pt-Ti,8.0,ABC6_cP8_200_a_b_f:Au-Pt-Ti +mp-21598,SiNi2As,-5.7812031731,-0.3700257244,0.0399411253,0.0399411253,GGA,Pbca,AB2C_oP32_61_c_2c_c:As-Ni-Si,32.0,"Invalid WP multiplicities - AB2C_oP32_61_c_5c_c:As-Ni-Si, expected SiNi5As to be SiNi2As" +mp-862849,Ac2NiIr,-6.046729945,-0.3314997263,0.0,-0.3292990762,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Ac-Ir-Ni +mp-1095758,BeAsRu2,-3.8556557275,2.88117836,3.1546328869,3.1546328869,GGA,Immm,ABC2_oI8_71_a_b_e:As-Be-Ru,4.0,ABC2_oI8_71_a_b_e:As-Be-Ru +mp-1183409,BeAsRu2,-6.982913765,-0.2460796775,0.0273748494,0.0273748494,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Be-Ru,4.0,ABC2_cF16_225_a_b_c:As-Be-Ru +mp-1225664,CuNiAu,-4.2589689667,0.1254394833,0.1575311467,0.1575311467,GGA,P3m1,ABC_hP3_156_a_b_c:Au-Cu-Ni,3.0,ABC_hP3_156_a_b_c:Au-Cu-Ni +mp-1096571,CuNiAu2,-2.2887468075,1.81803003,1.8420987775,1.8420987775,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Ni,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Ni +mp-865337,Lu2NiIr,-6.693209775,-0.7780918,0.0,-0.0107163956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Lu-Ni,4.0,AB2C_cF16_225_a_c_b:Ir-Lu-Ni +mp-867753,CuSbRh2,-6.01949381,-0.2802878975,0.0157540781,0.0157540781,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Cu-Rh-Sb +mp-1187075,SmGdIn2,-5.2891739025,0.7853450562000001,1.266405765,1.266405765,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-In-Sm,4.0,AB2C_cF16_225_a_c_b:Gd-In-Sm +mp-1205141,Eu4As7Ir8,-8.28792346,-0.6905913824000001,0.0,-0.0775300376,GGA,P2_1/m,A7B4C8_mP38_11_7e_4e_8e:As-Eu-Ir,38.0,A7B4C8_mP38_11_7e_4e_8e:As-Eu-Ir +mp-1095932,Zr2CuRe,-4.9923253175,3.4174584613,3.6570122075,3.6570122075,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Re-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Re-Zr +mp-1187940,Zr2CuRe,-8.624734310000001,-0.2149505312,0.024603215,0.024603215,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Re-Zr,4.0,ABC2_cF16_225_a_b_c:Cu-Re-Zr +mp-861984,Er2IrPd,-6.7519343575,-0.963495955,0.0,-0.03713196,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Pd +mp-1097402,ZrScTc2,-5.56254631,3.3378155962,3.5770034123,3.5770034123,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Tc-Zr,4.0,AB2C_oI8_71_a_e_b:Sc-Tc-Zr +mp-1188017,ZrScTc2,-9.12418416,-0.2238222538,0.0153655623,0.0153655623,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sc-Tc-Zr,4.0,AB2C_cF16_225_a_c_b:Sc-Tc-Zr +mp-1095992,Zr2ScTc,-5.0009801525,3.446147175,3.5813387569,3.5813387569,GGA,Immm,ABC2_oI8_71_a_b_e:Sc-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Sc-Tc-Zr +mp-1222319,LuGaAu,-4.3719695717,-0.7643267242,0.0,-0.0308635258,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ga-Lu,6.0,ABC_mC12_12_i_i_i:Au-Ga-Lu +mp-1210536,Na3DyBr6,-3.855095073,-2.065841803,0.0,-0.007428733,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Br-Dy-Na,20.0,A6BC3_mP20_14_3e_a_be:Br-Dy-Na +mp-1224783,GdDyNi2,-7.9923445883,-0.4315489783,0.0006792342,0.0006792342,GGA,Pm,ABC2_mP12_6_2ab_a2b_3a3b:Dy-Gd-Ni,12.0,ABC2_mP12_6_2ab_a2b_3a3b:Dy-Gd-Ni +mp-1224615,GdDyNi2,-7.9904297925,-0.4296341825,0.00259403,0.00259403,GGA,Amm2,ABC2_oC8_38_a_b_ab:Dy-Gd-Ni,4.0,ABC2_oC8_38_a_b_ab:Dy-Gd-Ni +mp-1224739,GdDy3Ni4,-6.8194931163,-0.4423644313,0.00085842,0.00085842,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Dy-Gd-Ni,8.0,A3BC4_mP8_6_a2b_a_2a2b:Dy-Gd-Ni +mp-864902,MgTlRh2,-4.938259635,-0.2653749008,0.0,-0.0170672046,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Tl +mp-31440,LuZrSb,-6.530101685,-0.7975508883,0.0,-0.0346707473,GGA,I4/mmm,ABC_tI12_139_e_e_c:Lu-Sb-Zr,6.0,ABC_tI12_139_e_e_c:Lu-Sb-Zr +mp-1200122,Tm3Ge13Os4,-6.2459064988,-0.3240895935,0.0068768196,0.0068768196,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Tm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Os-Tm +mp-1198939,Tm5(Ge5Os2)2,-6.5041767308,-0.5294964473,0.0120829218,0.0120829218,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Os-Tm,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Os-Tm +mp-1203054,TmGe2Os,-6.7680821106,-0.5307674698,0.0,-0.0277458449,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Os-Tm,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Os-Tm +mp-1190044,Tm4Ge6Os7,-7.7444480529,-0.4366197686,0.0105347479,0.0105347479,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Os-Tm,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Os-Tm +mp-1206580,GdSnGe,-8.2035932717,-0.6340192883,0.0,-0.0461184933,GGA,Cmcm,ABC_oC12_63_c_c_c:Gd-Ge-Sn,6.0,ABC_oC12_63_c_c_c:Gd-Ge-Sn +mp-1208784,Sr2TlCl5,-4.3739467644,-2.5009075952,0.0010445319,0.0010445319,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-Sr-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Cl-Sr-Tl +mp-1220358,Nb6GaSb,-8.69565818,-0.2250422422,0.0511732159,0.0511732159,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ga-Nb-Sb,8.0,AB6C_cP8_200_a_f_b:Ga-Nb-Sb +mp-1079745,ErGa2Pd,-4.7501153162000005,-0.79916715,0.0,-0.0414966124,GGA,Cmcm,AB2C_oC16_63_c_f_c:Er-Ga-Pd,8.0,AB2C_oC16_63_c_f_c:Er-Ga-Pd +mp-1181425,Er4Ga12Pd,-4.1085954906,-0.5916596482,0.0,-0.0216711688,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Er-Ga-Pd,17.0,A4B12C_cI34_229_c_de_a:Er-Ga-Pd +mp-1225900,Er6Ga17Pd5,-4.4158755543,-0.673612901,0.0022398944,0.0022398944,GGA,C2/m,A6B17C5_mC56_12_3i_a8i_d2i:Er-Ga-Pd,28.0,"Invalid WP multiplicities - A6B17C5_mC56_12_4i_a12i_c3i:Er-Ga-Pd, expected Er8Ga25Pd7 to be Er6Ga17Pd5" +mp-31387,ErGaPd,-5.157552625,-0.8989870775000001,0.0,-0.0558275325,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ga-Pd,12.0,ABC_oP12_62_c_c_c:Er-Ga-Pd +mp-1093912,CaHg2Bi,-0.83183492,0.7815275150000001,1.1927381175,1.1927381175,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Ca-Hg,4.0,ABC2_oI8_71_a_b_e:Bi-Ca-Hg +mp-1093578,Ca2HgBi,-1.34828392,0.6905583937,1.3944440327,1.3944440327,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Ca-Hg,4.0,AB2C_oI8_71_a_e_b:Bi-Ca-Hg +mp-1183503,Ca2HgBi,-2.7219848950000003,-0.6831425812,0.0207430577,0.0207430577,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Ca-Hg,4.0,AB2C_cF16_225_a_c_b:Bi-Ca-Hg +mp-8268,Yb2CdSe4,-3.8678239229,-1.2984307471,0.3058629168,0.3058629168,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-Se-Yb,,AB4C2_cF56_227_a_e_d:Cd-Se-Yb +mp-30125,PrTe2Se,-5.1295535737,-1.4886963189,0.0,-0.0827661195,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Pr-Se-Te,8.0,ABC2_oC16_63_c_c_2c:Pr-Se-Te +mp-865981,TmMgHg2,-2.107237205,-0.4363681542,0.0,-0.0877418175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Tm +mp-1215721,Zn11SbRu3,-3.2005674217,-0.1466081837,0.0237870353,0.0237870353,GGA,Ama2,A3BC11_oC60_40_bc_b_2ab4c:Ru-Sb-Zn,30.0,A3BC11_oC60_40_bc_b_2ab4c:Ru-Sb-Zn +mp-1093589,ZnSbRu2,-3.2514398175,2.732947665,2.9266307746,2.9266307746,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sb-Zn,4.0,A2BC_oI8_71_e_a_b:Ru-Sb-Zn +mp-981247,Zn7Sb8Ru9,-5.4178033887,-0.19614347,0.0536829076,0.0536829076,GGA,Fm-3m,A9B8C7_cF96_225_af_ce_bd:Ru-Sb-Zn,24.0,A9B8C7_cF96_225_af_ce_bd:Ru-Sb-Zn +mp-977406,Ho2AlOs,-6.325543395,-0.291103145,0.1100946184,0.1100946184,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Al-Ho-Os +mp-1212256,Ho3(Al3Os)4,-6.0415864668,-0.5887650832,0.0,-0.0593156033,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Ho-Os,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Ho-Os +mp-1217771,Tb9Al5Se21,-5.6041260777,-1.7798027897000002,0.0067313785,0.0067313785,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Al-Se-Tb,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Al-Se-Tb, expected Tb24Al5Se51 to be Tb9Al5Se21" +mp-1227461,Ce2TiCo16,-7.1612577,-0.1352179607,0.0031929454,0.0031929454,GGA,P-3m1,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Ti,38.0,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Ti +mp-13673,NaSiAu3,-3.5713848552,-0.2574869906,0.0,-0.0277395282,GGA,Pa-3,A3BC_cP40_205_d_c_c:Au-Na-Si,40.0,A3BC_cP40_205_d_c_c:Au-Na-Si +mp-1194390,Sc3Si3Pt,-6.8782629743,-0.971906585,0.0,-0.0137351936,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Pt-Sc-Si,28.0,AB3C3_oP28_62_c_3c_3c:Pt-Sc-Si +mp-1193821,Sc4Si2Pt7,-7.2318913773,-1.179703245,0.0,-0.0297049646,GGA,Pbam,A7B4C2_oP26_55_a2gh_2h_g:Pt-Sc-Si,26.0,A7B4C2_oP26_55_a2gh_2h_g:Pt-Sc-Si +mp-13572,ScSiPt2,-7.0964780188,-1.121464575,0.0,-0.0032689736,GGA,Cmcm,A2BC_oC16_63_f_c_c:Pt-Sc-Si,8.0,A2BC_oC16_63_f_c_c:Pt-Sc-Si +mp-13573,Sc5Si7Pt9,-7.0274928414,-1.1094084788,0.0,-0.0255768922,GGA,P-6,A9B5C7_hP21_174_2jk_adk_ejk:Pt-Sc-Si,21.0,A9B5C7_hP21_174_2jk_adk_ejk:Pt-Sc-Si +mp-9225,ScSiPt,-7.1101329383,-1.1671594533,0.0,-0.0493481264,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Sc-Si,12.0,ABC_oP12_62_c_c_c:Pt-Sc-Si +mp-1104406,Sc2Si2Pt3,-7.1520457307,-1.1907636979,0.0,-0.0450267174,GGA,Pbam,A3B2C2_oP14_55_ah_g_h:Pt-Sc-Si,14.0,A3B2C2_oP14_55_ah_g_h:Pt-Sc-Si +mp-1069809,BaSi3Pt,-5.4062291380000005,-0.553016668,0.0020814485,0.0020814485,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ba-Pt-Si,5.0,ABC3_tI10_107_a_a_ab:Ba-Pt-Si +mp-1101912,BaSiPt,-5.3969722908,-0.9251635275,0.0,-0.2850600486,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-Pt-Si,12.0,ABC_cP12_198_a_a_a:Ba-Pt-Si +mp-1214345,BaSi12Pt5,-5.9032571775000005,-0.4933428497,0.0,-0.0516957224,GGA,C2/m,AB5C12_mC72_12_g_ad2g2h_6j:Ba-Pt-Si,36.0,AB5C12_mC72_12_g_ac2g2h_6j:Ba-Pt-Si +mp-864961,Be2PdPt,-5.36648831,-0.6840280950000001,0.0,-0.2491936305,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Pd-Pt +mp-1093827,LiZr2Ru,-4.1592017975,2.9104798692,3.2392693817,3.2392693817,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Ru-Zr,4.0,ABC2_oI8_71_a_b_e:Li-Ru-Zr +mp-861964,LiLu2Ir,-5.6201686675,-0.6728541458,0.0,-0.0585243678,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Lu,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Lu +mp-1184485,GdLuIr2,-9.92053515,-0.85204987,0.0,-0.1525681528,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ir-Lu,4.0,AB2C_cF16_225_a_c_b:Gd-Ir-Lu +mp-865384,Tm2PdRu,-6.585802225,-0.7343134258,0.0,-0.0631855956,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Pd-Ru-Tm +mp-1080661,Gd2SnAu2,-8.579252796,-0.837336729,0.000338654,0.000338654,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Gd-Sn,10.0,A2B2C_tP10_127_g_h_a:Au-Gd-Sn +mp-20434,GdSnAu,-7.9484491583,-0.82859046,0.0149994983,-0.1150391425,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Gd-Sn,6.0,ABC_hP6_186_b_a_b:Au-Gd-Sn +mp-20514,GdSnAu,-7.9634486567,-0.8435899583,0.0,-0.1300386408,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Gd-Sn,3.0,ABC_cF12_216_c_a_b:Au-Gd-Sn +mp-1191201,Ce4CdRu,-5.8418426704,-0.1869011837,0.0290347796,0.0290347796,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ce-Ru,24.0,AB4C_cF96_216_e_efg_e:Cd-Ce-Ru +mp-1186465,PrSmIr2,-7.3710018575,-0.576911795,0.090227006,0.090227006,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pr-Sm,4.0,A2BC_cF16_225_c_a_b:Ir-Pr-Sm +mp-1194651,Ce2ZrSe5,-6.7420843175,-2.0054047765,0.0,-0.0751405189,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ce-Se-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Ce-Se-Zr +mp-980064,YbErHg2,-2.242161625,-0.56348967,0.0,-0.00209994,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Yb,,AB2C_cF16_225_a_c_b:Er-Hg-Yb +mp-1187031,SmTmIn2,-4.1234185675,-0.4489713129,0.0007442795,0.0007442795,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Sm-Tm,4.0,A2BC_cF16_225_c_a_b:In-Sm-Tm +mp-1183808,DyLuIr2,-7.6069112,-0.90575977,0.0103680253,0.0103680253,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ir-Lu,4.0,AB2C_cF16_225_a_c_b:Dy-Ir-Lu +mp-865812,LiSmHg2,-2.2635245825,-0.4548071496,0.0,-0.1029495444,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Sm +mp-862842,LiPm2Pt,-4.915959,-0.5456737921,0.0,-0.2419522463,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Li-Pm-Pt +mp-983427,PmDyHg2,-2.959851045,-0.4686785719,0.0,-0.0939348956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Pm +mp-978557,SmDyHg2,-2.9531297375000003,-0.4699463112,0.0,-0.0716592256,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Sm +mp-30606,DyInPd2,-5.2523921775,-0.82283363,0.0,-0.0484853952,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-In-Pd,4.0,ABC2_cF16_225_a_b_c:Dy-In-Pd +mp-1213298,DyIn2Pd,-4.4757400845,-0.6532310570000001,0.0,-0.0386653345,GGA,I4mm,AB2C_tI80_107_2acd_c2de_bcd:Dy-In-Pd,40.0,AB2C_tI80_107_2acd_c2de_bcd:Dy-In-Pd +mp-1191956,Dy5(In2Pd)2,-4.7247509014,-0.6883479250000001,0.0,-0.0456958791,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Dy-In-Pd,22.0,A5B4C2_oP22_55_a2g_2h_h:Dy-In-Pd +mp-20870,Dy2InPd2,-5.339964685,-0.8749604790000001,0.0,-0.0612631515,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Dy-In-Pd +mp-1222490,Li4(CdSb)5,-2.7155188879,-0.3658655688,0.0,-0.0356135164,GGA,R3m,A5B4C5_hR42_160_5a_4a_5a:Cd-Li-Sb,14.0,A5B4C5_hR42_160_5a_4a_5a:Cd-Li-Sb +mp-16271,Li2CdSb,-2.666175855,-0.4487416717,0.0385119775,0.0385119775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Sb,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Sb +mp-1100425,LiCdSb,-2.6027478767,-0.2824765878,0.11036411,0.11036411,GGA,F-43m,ABC_cF12_216_a_c_b:Cd-Li-Sb,3.0,ABC_cF12_216_a_c_b:Cd-Li-Sb +mp-1093953,GaCuPd2,-2.829325895,1.5424406831000002,2.0264986281,2.0264986281,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Pd,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Pd +mp-1184030,GaCuPd2,-4.849799785,-0.4780332069,0.0060247381,0.0060247381,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Pd,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Pd +mp-1093625,Ga2CuPd,-2.665058425,1.1687617063,1.5557845235,1.5557845235,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Ga-Pd,4.0,AB2C_oI8_71_a_e_b:Cu-Ga-Pd +mp-1205965,Zr6CoTe2,-7.85343891,-0.6666463143,0.0,-0.048347794,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Co-Te-Zr,9.0,AB2C6_hP9_189_a_d_fg:Co-Te-Zr +mp-1079838,Dy2CdGe2,-4.595758365,-0.719254535,0.0,-0.023543477,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Dy-Ge,10.0,AB2C2_tP10_127_a_h_g:Cd-Dy-Ge +mp-861510,Pr2SnHg,-4.07708619,-0.6083202575000001,0.0109169409,0.0109169409,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pr-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-Pr-Sn +mp-865861,LuMgAu2,-3.959355255,-0.7921066125,0.0,-0.0363021525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Lu-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Lu-Mg +mp-973887,LaPrHg2,-3.0552006475,-0.47413225,0.0129064975,0.0129064975,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-La-Pr +mp-1095767,Mg2HgPb,-0.80443665,0.9997852338,1.1523541346,1.1523541346,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Pb,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Pb +mp-862742,Pm2ZnGe,-4.3765025925,-0.5305385650000001,0.0,-0.1850042298,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Ge-Pm-Zn +mp-1183722,CePrMg2,-3.487833035,-0.0091942825,0.0820622188,0.0820622188,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Ce-Mg-Pr +mp-1186553,PmDyZn2,-3.3011955325,-0.3319914369,0.0,-0.0375025169,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Pm-Zn +mp-976931,LuAlAg2,-3.81125173,-0.3283421408,0.0,-0.0031471175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Lu +mp-1187814,YbCeMg2,-2.64876617,0.0195482138,0.0829178688,0.0829178688,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Yb,,AB2C_cF16_225_a_c_b:Ce-Mg-Yb +mp-1187898,YbGdZn2,-4.8545708325,-0.3207663975,0.0250083125,0.0250083125,GGA,C2/m,ABC2_mC8_12_a_b_h:Gd-Yb-Zn,,ABC2_aP4_2_a_a_i:Gd-Yb-Zn +mp-1187854,YbGdZn2,-4.8540929175,-0.3202884825,0.0254862275,0.0254862275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Yb-Zn,,ABC2_oF16_69_a_b_f:Gd-Yb-Zn +mp-1220541,Nb4GeSe8,-6.6828905915,-1.0678490657,0.0,-0.0007681588,GGA,C2/m,AB4C8_mC26_12_a_2i_4i:Ge-Nb-Se,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_4i_6i:Ge-Nb-Se, expected Nb8GeSe12 to be Nb4GeSe8" +mp-865781,YbCeZn2,-2.7681359725,-0.2700898087,0.0041040006,0.0041040006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Yb-Zn,,ABC2_cF16_225_a_b_c:Ce-Yb-Zn +mp-1185354,LiGd2Os,-10.5102329225,-0.1880992283,0.0,-0.0937609924,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Li-Os,4.0,A2BC_cF16_225_c_a_b:Gd-Li-Os +mp-1093730,CdRh2Pb,-2.789876165,2.0511619775,2.122041715,2.0908147375,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Pb-Rh,4.0,ABC2_oI8_71_a_b_e:Cd-Pb-Rh +mp-1183697,CdRh2Pb,-4.91191788,-0.0708797375,0.0,-0.0312269775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Pb-Rh +mp-1185452,Lu2CuAu,-4.701010285,-0.5972628575000001,0.0,-0.0072117813,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Lu,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Lu +mp-1225605,ErAgPb,-3.859689625,-0.1553823306,0.1979414083,0.1653878172,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Er-Pb,6.0,ABC_hP6_164_d_c_d:Ag-Er-Pb +mp-16745,ErAgPb,-4.0576310333,-0.3533237389,0.0,-0.0325535911,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Er-Pb,9.0,ABC_hP9_189_f_g_bc:Ag-Er-Pb +mp-1225878,Er3(AgPb2)2,-3.9490669972,-0.1469718065,0.1914780609,0.1914780609,GGA,P3m1,A2B3C4_hP18_156_3ab_6c_3a5b:Ag-Er-Pb,18.0,A2B3C4_mC36_8_4a_6a_8a:Ag-Er-Pb +mp-867909,ScCdRh2,-6.10532162,-0.6093279687000001,0.0,-0.0481045013,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Sc +mp-1096085,MnBeCo2,-3.9551126975,2.8244032393,2.9902696200000003,2.9902696200000003,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Co-Mn,4.0,AB2C_oI8_71_a_e_b:Be-Co-Mn +mp-978261,MnBe2Co,-6.1791991475,-0.2419094432,0.004891544,0.004891544,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Co-Mn,4.0,A2BC_cF16_225_c_a_b:Be-Co-Mn +mp-1025311,CdAsPt5,-5.3696564129,-0.235702875,0.0,-0.0225456702,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-Cd-Pt,7.0,ABC5_tP7_123_b_c_ai:As-Cd-Pt +mp-1096744,Hf2TcIr,-6.492255635,3.2861071613,4.1462067775,4.0021839575,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Tc,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Tc +mp-1184567,Hf2TcIr,-10.6384624125,-0.8600996162000001,0.0,-0.14402282,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Tc +mp-1093773,Sc2BeOs,-4.0862874925,2.8216421338,3.1639106602,3.1639106602,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Os-Sc,4.0,ABC2_oI8_71_a_b_e:Be-Os-Sc +mp-1208118,TmNiPb,-5.0464133825,-0.3902069914,0.0537040125,0.0537040125,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Pb-Tm,12.0,ABC_oP12_62_c_c_c:Ni-Pb-Tm +mp-1206382,Tm2Ni2Pb,-5.37761146,-0.5326932047,0.0,-0.0635346465,GGA,Cmmm,A2BC2_oC10_65_g_a_h:Ni-Pb-Tm,5.0,A2BC2_oC10_65_g_a_h:Ni-Pb-Tm +mp-640391,Tm5NiPb3,-4.8677951389,-0.5014334715000001,0.0027181451,0.0027181451,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ni-Pb-Tm,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_3d3g:Ni-Pb-Tm, expected Tm15NiPb3 to be Tm5NiPb3" +mp-1097451,ScMnPt2,-5.36934601,1.5398417493,2.3666707193,2.3666707193,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Pt-Sc,4.0,AB2C_oI8_71_a_e_b:Mn-Pt-Sc +mp-1186385,Pa3Hg,-7.0600585475,0.1518600387,0.1518600387,0.1518600387,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Pa,4.0,AB3_cP4_221_a_c:Hg-Pa +mp-862817,PaHgAu2,-4.39213427,-0.3006070137,0.0,-0.0425458971,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hg-Pa,4.0,A2BC_cF16_225_c_a_b:Au-Hg-Pa +mp-1207398,Zr6Be15Pd8,-5.6033476259,-0.4717458591,0.0,-0.016067279,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Pd-Zr,29.0,A15B8C6_cF116_225_adf_f_e:Be-Pd-Zr +mp-862881,CaPmCd2,-2.5117310825,-0.3612506519,0.0,-0.0829622879,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Pm,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Pm +mp-1190391,Zr5InPb3,-6.5782495733,-0.2862353411,0.0,-0.1125633998,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:In-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:In-Pb-Zr +mp-1212597,Hf2InCu2,-6.3943786505,-0.2214836245,0.0,-0.0572844807,GGA,P4_2/mnm,A2B2C_tP20_136_j_fg_d:Cu-Hf-In,20.0,A2B2C_tP20_136_j_fg_d:Cu-Hf-In +mp-1224398,HfInCu2,-5.25845894,-0.031637415,0.1315509,0.1228208576,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Cu-Hf-In,4.0,A2BC_tP4_123_h_a_b:Cu-Hf-In +mp-600125,HfInCu2,-5.39000984,-0.163188315,0.0,-0.0087300424,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Hf-In,4.0,A2BC_cF16_225_c_a_b:Cu-Hf-In +mp-865146,MgAsPt5,-5.7090394457,-0.4783158664,0.0,-0.0337052193,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-Mg-Pt,7.0,ABC5_tP7_123_b_c_ai:As-Mg-Pt +mp-1186793,Pu2SnHg,-8.4837958025,-0.2715635825,0.0,-0.0241329132,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pu-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-Pu-Sn +mp-1079052,Er2CdGe2,-4.557881458,-0.6970048400000001,0.0,-0.014846646,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Er-Ge,10.0,AB2C2_tP10_127_a_h_g:Cd-Er-Ge +mp-862367,Sc2NiRu,-7.5097813125,-0.579911955,0.0,-0.05478565,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Ni-Ru-Sc +mp-1217701,Tb2CuPt,-5.6499103563,-0.7901423088,0.0,-0.0212137468,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Cu-Pt-Tb,8.0,ABC2_oP8_26_a_b_ab:Cu-Pt-Tb +mp-1217627,Tb4CuPt3,-6.1386183625,-1.0323594837,0.0,-0.0040034006,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Cu-Pt-Tb,8.0,AB3C4_mP8_6_a_a2b_2a2b:Cu-Pt-Tb +mp-1093990,ZrAsIr,-7.74991943,-0.4015016917,0.50882019,0.4878776214,GGA,F-43m,ABC_cF12_216_c_a_b:As-Ir-Zr,3.0,ABC_cF12_216_c_a_b:As-Ir-Zr +mp-1093991,ZrAsIr,-8.25873962,-0.9103218817,0.0,-0.0209425686,GGA,F-43m,ABC_cF12_216_a_c_b:As-Ir-Zr,3.0,ABC_cF12_216_a_c_b:As-Ir-Zr +mp-865742,YbCdHg2,-1.199819645,-0.4323549525,0.0,-0.0269988673,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Yb,,AB2C_cF16_225_a_c_b:Cd-Hg-Yb +mp-979968,Yb2CdHg,-1.58948094,-0.5130342688,0.003878885,0.003878885,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Yb,,ABC2_cF16_225_a_b_c:Cd-Hg-Yb +mp-1185958,MgScPt2,-6.0823165,-1.0635625512,0.0,-0.0776675956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:Mg-Pt-Sc +mp-867157,SmCdHg2,-1.963524295,-0.4013151388,0.0,-0.0463192579,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Sm +mp-977396,TbMgRh2,-5.938056135,-0.6972406625,0.0,-0.038509925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Tb +mp-1208478,Tb4MgRh,-4.9752279308,-0.3915525442,0.0,-0.0244011533,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Rh-Tb,24.0,ABC4_cF96_216_e_e_efg:Mg-Rh-Tb +mp-1186641,PmSmAl2,-4.6101514550000005,-0.3700814256,0.0158595044,0.0158595044,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:Al-Pm-Sm +mp-867243,Sc2ZnOs,-6.7288112625,-0.44079895,0.0,-0.0619187211,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Os-Sc-Zn +mp-1209944,Nd3(Al3Ru)4,-5.7123993713,-0.6414013493,0.0,-0.0254947887,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Nd-Ru,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Nd-Ru +mp-1209876,Nd(Al5Ru)2,-5.1935255835,-0.5187016748000001,0.0,-0.0315172392,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Nd-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Nd-Ru +mp-1225137,EuMgGa3,-4.619867374,-0.4315533905,0.0,-0.0264138123,GGA,I-4m2,AB3C_tI10_119_c_af_b:Eu-Ga-Mg,5.0,AB3C_tI10_119_c_af_b:Eu-Ga-Mg +mp-1212857,Eu(MgGa)2,-4.259411316,-0.356660527,0.0,-0.0098932494,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ga-Mg,5.0,AB2C2_tI10_139_a_e_d:Eu-Ga-Mg +mp-1213186,EuMgGa,-5.2996224267,-0.3378298025,0.0035467085,0.0035467085,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Ga-Mg,12.0,ABC_oP12_62_c_c_c:Eu-Ga-Mg +mp-1225624,Eu2MgGa3,-5.650418935,-0.4506569821,0.0040080335,0.0040080335,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Eu-Ga-Mg,6.0,A2B3C_mC12_8_2a_3a_a:Eu-Ga-Mg +mp-865448,TiGaRu2,-7.988352605,-0.6202543252,0.0,-0.0836804606,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-Ti +mp-1194115,Ti6Ga16Ru7,-5.9148203200000005,-0.371947691,0.1179447819,0.1179447819,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Ti +mp-13619,ScSi7Rh3,-6.638524575,-0.6019228545,0.0311678283,0.0311678283,GGA,R-3c,A3BC7_hR66_167_e_b_af:Rh-Sc-Si,22.0,A3BC7_hR66_167_e_b_af:Rh-Sc-Si +mp-1193822,Sc3Si3Rh,-7.0276723454,-0.9365767346,0.0,-0.0122766711,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Rh-Sc-Si,28.0,AB3C3_oP28_62_c_3c_3c:Rh-Sc-Si +mp-1196760,Sc5(Si5Rh2)2,-6.8654677145,-0.79321733,0.0620112716,0.0620112716,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Rh-Sc-Si,38.0,A4B5C10_tP38_127_i_a2h_gij:Rh-Sc-Si +mp-20492,ScSiRh,-7.4621580233,-1.088126355,0.0,-0.1341192067,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Sc-Si,12.0,ABC_oP12_62_c_c_c:Rh-Sc-Si +mp-22307,ScSi2Rh,-7.05225843,-0.9154051712,0.0,-0.0835042593,GGA,Pnma,ABC2_oP16_62_c_c_2c:Rh-Sc-Si,16.0,ABC2_oP16_62_c_c_2c:Rh-Sc-Si +mp-972970,ScSiRh2,-7.5507540825,-0.9291533637,0.0240592367,0.0240592367,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sc-Si,4.0,A2BC_cF16_225_c_a_b:Rh-Sc-Si +mp-782009,Ca9La5Br33,-4.3745533767,-2.3749710504,0.0951353564,0.0951353564,GGA,P-1,A33B9C5_aP94_2_33i_9i_5i:Br-Ca-La,94.0,"Invalid WP multiplicities - A33B9C5_aP94_2_65i_17i_9i:Br-Ca-La, expected Ca17La9Br65 to be Ca9La5Br33" +mp-1186607,PmLuTl2,-3.818877685,-0.319682901,0.0,-0.0503059515,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Lu-Pm-Tl +mp-866026,ErNbOs2,-9.4826754175,-0.20173574,0.1068680208,0.1068680208,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Nb-Os,4.0,ABC2_cF16_225_a_b_c:Er-Nb-Os +mp-1200080,Pr3Rh4Pb13,-4.892608314,-0.2893902813,0.0,-0.0150438622,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Pb-Pr-Rh,40.0,A13B3C4_cP40_223_ak_c_e:Pb-Pr-Rh +mp-867136,LiTm2Co,-4.614692465,-0.1224645879,0.0093256431,0.0093256431,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Li-Tm,4.0,ABC2_cF16_225_a_b_c:Co-Li-Tm +mp-1080543,Np2InPd2,-7.987545802,-0.1861444595,0.1399665822,0.1399665822,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Np-Pd,10.0,AB2C2_tP10_127_a_h_g:In-Np-Pd +mp-1093765,HfAgAu2,-3.1090031,1.7253741583000002,2.1459069858,2.1459069858,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Hf,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Hf +mp-864717,PaCu2Sn,-5.562559365,-0.1318969013,0.0,-0.1202412475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pa-Sn,4.0,A2BC_cF16_225_c_a_b:Cu-Pa-Sn +mp-6919,ScSnAu,-5.2303945917,-0.691753605,0.069077555,-0.0481472187,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Sc-Sn,6.0,ABC_hP6_186_b_a_b:Au-Sc-Sn +mp-2894,ScSnAu,-5.2994721467,-0.7608311600000001,0.0,-0.1172247737,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Sc-Sn,3.0,ABC_cF12_216_c_a_b:Au-Sc-Sn +mp-1078810,Sc2SnAu2,-5.400633548,-0.7561787350000001,0.023560016,0.023560016,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Sc-Sn,10.0,A2B2C_tP10_127_g_h_a:Au-Sc-Sn +mp-1209036,Sc2SnAu2,-5.4119483405,-0.7674935275,0.0122452235,0.0122452235,GGA,P4_2/mnm,A2B2C_tP20_136_j_fg_d:Au-Sc-Sn,20.0,A2B2C_tP20_136_j_fg_d:Au-Sc-Sn +mp-1095807,ScSnAu2,-2.9937732225,1.2286780175,1.8671113063,1.8671113063,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Sc-Sn,4.0,A2BC_oI8_71_e_a_b:Au-Sc-Sn +mp-862952,PmNi2Sn,-5.47449408,-0.3943971956,0.0,-0.1012017208,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Ni-Pm-Sn +mp-865151,YbNdRh2,-5.9065783925,-0.6474855294,0.0,-0.0053085737,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nd-Rh-Yb,,AB2C_cF16_225_a_c_b:Nd-Rh-Yb +mp-1227372,BiTeIr,-5.5210009917,-0.2469245906,0.0734549875,0.0734549875,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Ir-Te,12.0,ABC_cP12_198_a_a_a:Bi-Ir-Te +mp-631440,BiTeIr,-4.36229077,0.9117856311,1.2321652092,1.2321652092,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Ir-Te,3.0,ABC_cF12_216_c_a_b:Bi-Ir-Te +mp-675458,La2Te4Pb,-5.2093313886,-1.4724906952,0.0304466027,0.0304466027,GGA,I-42d,A2BC4_tI28_122_d_a_e:La-Pb-Te,14.0,A2BC4_tI28_122_d_a_e:La-Pb-Te +mp-1093673,LiCaAu2,-2.0958402225,0.5197314642,1.1961464875,1.1961464875,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Li,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Li +mp-1102023,HgPt2Se3,-4.408463395,-0.5861831553,0.0,-0.0347043717,GGA,P-3m1,AB2C3_hP12_164_d_ae_i:Hg-Pt-Se,12.0,AB2C3_hP12_164_d_ae_i:Hg-Pt-Se +mp-626981,Eu(GeRh)2,-7.677760044,-0.831425394,0.0,-0.2593519727,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Rh +mp-1191926,EuGe7Rh3,-6.3785425223,-0.4957133955,0.0,-0.0064618993,GGA,R-3c,AB7C3_hR66_167_b_af_e:Eu-Ge-Rh,22.0,AB7C3_hR66_167_b_af_e:Eu-Ge-Rh +mp-1069658,EuGe3Rh,-6.935470252,-0.637391605,0.0,-0.0557924076,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-Ge-Rh,5.0,AB3C_tI10_107_a_ab_a:Eu-Ge-Rh +mp-1095989,ZnInIr2,-2.876727065,2.54534686,2.7030276084,2.7030276084,GGA,Immm,AB2C_oI8_71_a_e_b:In-Ir-Zn,4.0,AB2C_oI8_71_a_e_b:In-Ir-Zn +mp-1078860,SrGeAu3,-3.746642253,-0.5198087913,0.0,-0.0197609687,GGA,P4/nmm,A3BC_tP10_129_cd_c_b:Au-Ge-Sr,10.0,A3BC_tP10_129_cd_c_b:Au-Ge-Sr +mp-13918,Sr(GeAu)2,-3.98955807,-0.4928954373,0.0,-0.047387774,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Ge-Sr,5.0,A2B2C_tI10_139_d_e_a:Au-Ge-Sr +mp-1095305,NdSbAu,-5.0358438775,-0.9788336533,0.0,-0.051974269,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Au-Nd-Sb,12.0,ABC_hP12_194_f_ab_f:Au-Nd-Sb +mp-1079312,NdSb2Au,-4.87703093,-0.8020229519000001,0.0,-0.0544897717,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Au-Nd-Sb,8.0,ABC2_tP8_129_a_c_bc:Au-Nd-Sb +mp-1206316,Nd2Sb3Au,-2.013723035,2.1858070625,3.1465100967,3.1465100967,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Au-Nd-Sb,6.0,AB2C3_tP6_123_a_g_bg:Au-Nd-Sb +mp-1208073,Tm2(Ga3Ir)3,-5.1303156614,-0.6503272622,0.0,-0.1035742919,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Tm +mp-1104238,Tm3Ga8Ir3,-5.22582192,-0.6424235636,0.0377445986,0.0377445986,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Tm,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Tm +mp-1097501,NaCd2Ag,-0.83898152,0.6612336842000001,0.7453678455,0.7453678455,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-Na,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-Na +mp-1186123,NaCd2Ag,-1.56040372,-0.0601885158,0.0239456455,0.0239456455,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Cd-Na,4.0,AB2C_cF16_225_a_c_b:Ag-Cd-Na +mp-980426,TmAlAg2,-3.805892785,-0.33426197,0.0,-0.0166437522,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Tm +mp-1215372,Zr4NbAl3,-7.2682822356,-0.3271778544,0.0755504256,0.0755504256,GGA,C2/m,A3BC4_mC32_12_g2i_i_h3i:Al-Nb-Zr,16.0,A3BC4_mC32_12_g2i_i_h3i:Al-Nb-Zr +mp-1215216,ZrNbAl6,-5.5789453862,-0.438637805,0.0195059587,0.0195059587,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Nb-Zr,8.0,A6BC_tP8_123_adi_b_c:Al-Nb-Zr +mp-1215487,Zr3NbAl12,-5.4892002825,-0.4459929769,0.026707245,0.026707245,GGA,P4mm,A12BC3_tP16_99_2a2b4c_a_a2b:Al-Nb-Zr,16.0,"Invalid WP multiplicities - A12BC3_tP16_99_2a2b8c_a_a2b:Al-Nb-Zr, expected Zr3NbAl20 to be Zr3NbAl12" +mp-1201558,ZrFeGe2,-7.0750956246,-0.5091512371,0.0,-0.0279544927,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Zr,48.0,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Zr +mp-981356,Zr(FeGe)6,-6.9553649185,-0.2549037631,0.0,-0.0163297787,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Zr,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_cd2e_a:Fe-Ge-Zr, expected Zr(Fe3Ge4)2 to be Zr(FeGe)6" +mp-21040,Zr2Fe3Ge,-8.3070471883,-0.4522983975,0.0,-0.0302873286,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Ge-Zr,12.0,A3BC2_hP12_194_h_a_f:Fe-Ge-Zr +mp-1080785,ThAlRh,-7.0829073922,-0.9083267422,0.0,-0.0923795433,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Rh-Th,9.0,ABC_hP9_189_f_bc_g:Al-Rh-Th +mp-862543,Sc2AlTc,-7.0636108025,-0.3708225563,0.0,-0.0131422403,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Al-Sc-Tc +mp-1096570,ScAl2Tc,-3.3599399175,2.68612501,3.1357998087,3.1357998087,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Sc-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Sc-Tc +mp-971827,Zn2CuPt,-3.51607298,-0.3436161775,0.006584035,0.006584035,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pt-Zn,4.0,ABC2_cF16_225_a_b_c:Cu-Pt-Zn +mp-971739,ZnCuPt2,-4.7352010575,-0.3598968275,0.0023948675,0.0023948675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pt-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Pt-Zn +mp-1187587,Tm2ZnAu,-3.9970313125,-0.6257071983,0.0056281037,0.0056281037,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Tm-Zn +mp-1217557,TbAlGa,-4.37754264,-0.5748633225,0.0140180575,0.0140180575,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Tb,3.0,ABC_hP3_187_a_c_f:Al-Ga-Tb +mp-865650,Ti2TcRu,-9.5047209875,-0.6482146079000001,0.0,-0.018375485,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ru-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Ru-Tc-Ti +mp-1224090,HoAlCo,-5.5308341125,-0.3853999475,0.0462376332,0.0462376332,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Ho,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Ho, expected Ho3(AlCo)2 to be HoAlCo" +mp-1205177,Ho2Al3Co14,-6.5273801679,-0.2159067805,0.0677836953,0.0677836953,GGA,P6_3/mmc,A3B14C2_hP38_194_g_fjk_bc:Al-Co-Ho,38.0,A3B14C2_hP38_194_g_fjk_bc:Al-Co-Ho +mp-1095832,TiBeNi2,-3.2908855925,2.5079089679,2.9399771075,2.9399771075,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Ni-Ti,4.0,AB2C_oI8_71_a_e_b:Be-Ni-Ti +mp-1189241,GdAs2Au,-7.4230787613,-0.7560184988,0.0103092,0.0103092,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Gd,16.0,A2BC_oC32_64_df_e_f:As-Au-Gd +mp-1097487,MnNb2Mo,-5.9801144225,4.072454448,4.1632094009,4.1632094009,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Mo-Nb,4.0,ABC2_oI8_71_a_b_e:Mn-Mo-Nb +mp-1219521,SbAsIr,-6.3030941425,-0.4275762008,0.0682685954,0.0682685954,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Ir-Sb,12.0,ABC_mP12_14_e_e_e:As-Ir-Sb +mp-862890,AcAg2Sn,-3.8103615825,-0.3613968652,0.0,-0.1923418611,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-Sn,4.0,AB2C_cF16_225_a_c_b:Ac-Ag-Sn +mp-973101,LaHoRu2,-7.2234009725,-0.2065957088,0.1180126896,0.1180126896,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-La-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-La-Ru +mp-974525,ReAg3,-4.341116485,0.8944323138,0.8944323138,0.8944323138,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Re,8.0,A3B_hP8_194_h_c:Ag-Re +mp-1186896,ReAg3,-4.339760075,0.8957887238000001,0.8957887238000001,0.8957887238000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Re,4.0,A3B_cF16_225_ac_b:Ag-Re +mp-23472,Re(AgCl3)2,-4.1912051744,-0.9466652687,0.0,-0.0095072958,GGA,R-3,A2B6C_hR27_148_c_f_a:Ag-Cl-Re,9.0,A2B6C_hR27_148_c_f_a:Ag-Cl-Re +mp-1184846,HoThRu2,-8.0819813175,-0.4457132675,0.001278372,0.001278372,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Th,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Th +mp-862887,LiSc2Os,-6.781232575,-0.3309254483,0.0,-0.0516951009,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Li-Os-Sc +mp-1184677,Ho2MgTc,-5.306623035,-0.0251888513,0.0884779944,0.0884779944,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Mg-Tc,4.0,A2BC_cF16_225_c_a_b:Ho-Mg-Tc +mp-1219187,Sm2Fe3Ru,-7.4184853433,-0.0648789367,0.0663774306,0.0663774306,GGA,R-3m,A3BC2_hR18_166_d_a_c:Fe-Ru-Sm,6.0,A3BC2_hR18_166_d_a_c:Fe-Ru-Sm +mp-1221874,Mn5(Bi2Rh)2,-6.83458889,0.0654700846,0.1888621532,0.1888621532,GGA,F-43m,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Rh,22.0,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Rh +mp-1189811,Ce(Sb3Ru)4,-5.9221488959,-0.4763421785,0.0,-0.04259163,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ce-Ru-Sb,17.0,AB4C12_cI34_204_a_c_g:Ce-Ru-Sb +mp-680469,La10Ga5Cl4,-4.9572393292,-1.1733078659,0.0,-0.0445552877,GGA,I4/mcm,A4B5C10_tI76_140_fh_al_f2l:Cl-Ga-La,38.0,"Invalid WP multiplicities - A4B5C10_tI76_140_2f2h_a2l_3f12l:Cl-Ga-La, expected La54Ga9Cl8 to be La10Ga5Cl4" +mp-631194,La3Ga4Cl,-4.6699235962,-1.0738058381,0.0,-0.0449494386,GGA,I4/mcm,AB4C3_tI32_140_c_l_ah:Cl-Ga-La,16.0,"Invalid WP multiplicities - AB4C3_tI32_140_c_l_2a2h:Cl-Ga-La, expected La6Ga4Cl to be La3Ga4Cl" +mp-1213907,Ce2(Ga3Rh)3,-5.0672467089,-0.6949634145,0.0,-0.0869087668,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Rh,28.0,A2B9C3_oC56_63_g_cfgh_ae:Ce-Ga-Rh +mp-1102417,CeGaRh,-6.2524596067,-0.8106285908,0.0,-0.0825554234,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ga-Rh,12.0,ABC_oP12_62_c_c_c:Ce-Ga-Rh +mp-1213977,Ce3(GaRh)2,-6.2294076718,-0.7173969218,0.0,-0.0140126211,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Ce-Ga-Rh,28.0,A3B2C2_oP28_57_de_cd_e:Ce-Ga-Rh +mp-3891,EuTl2Pd,-5.4866224363,-0.4460799604,0.0,-0.0364712554,GGA,Cmcm,ABC2_oC16_63_c_c_f:Eu-Pd-Tl,8.0,ABC2_oC16_63_c_c_f:Eu-Pd-Tl +mp-1229153,Cs(ThTe3)2,-5.23279322,-1.3902427498,0.0,-0.1024349698,GGA,Amm2,AB6C2_oC18_38_a_ab2c_ab:Cs-Te-Th,9.0,"Invalid WP multiplicities - AB6C2_oC18_38_a_ab4c_ab:Cs-Te-Th, expected Cs(ThTe5)2 to be Cs(ThTe3)2" +mp-1184066,CsTh,-3.295071105,0.859559206,0.859559206,0.859559206,GGA,R-3m,AB_hR6_166_a_b:Cs-Th,2.0,AB_hR6_166_a_b:Cs-Th +mp-1187264,Tb2NiIr,-6.5998532575,-0.6280274925,0.0327329262,0.0327329262,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Tb,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Tb +mp-1198507,PrSn3Ru,-5.6983233907,-0.4815186188,0.0,-0.0082600477,GGA,Pm-3n,ABC3_cP40_223_ac_e_k:Pr-Ru-Sn,40.0,ABC3_cP40_223_ac_e_k:Pr-Ru-Sn +mp-21010,PrSnRu,-6.522126665,-0.5004999483,0.0,-0.0117340765,GGA,Pnma,ABC_oP12_62_c_c_c:Pr-Ru-Sn,12.0,ABC_oP12_62_c_c_c:Pr-Ru-Sn +mp-1210053,Pr3Sn13Ru4,-5.5998286455,-0.4215905685,0.0,-0.0121137152,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Pr-Ru-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Pr-Ru-Sn +mp-1206351,Pr(Sn3Ru2)2,-6.3311049436,-0.3369279395,0.0,-0.0359154512,GGA,I-42m,AB4C6_tI22_121_a_i_ci:Pr-Ru-Sn,11.0,AB4C6_tI22_121_a_i_ci:Pr-Ru-Sn +mp-11869,HfSnPd,-7.10172497,-0.7195107383,0.0,-0.1521623261,GGA,F-43m,ABC_cF12_216_a_c_b:Hf-Pd-Sn,3.0,ABC_cF12_216_a_c_b:Hf-Pd-Sn +mp-1096723,HfSnPd2,-4.2115335825,1.8700975438,2.6128554075,2.6128554075,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Hf-Pd-Sn +mp-865849,NaYbAu2,-3.0124406225,-0.6599662291,0.0,-0.010599425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Yb,,A2BC_cF16_225_c_a_b:Au-Na-Yb +mp-1101967,NbCoAs,-7.809640565,-0.5200601517,0.0,-0.069063405,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-Nb,12.0,ABC_oP12_62_c_c_c:As-Co-Nb +mp-1201264,Pr3Ge13Ru4,-6.0087709632,-0.4317864862,0.0435472175,0.0435472175,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Pr-Ru,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Pr-Ru +mp-1193872,Pr3(GeRu)2,-6.6125833004,-0.5929292925,0.0,-0.0007211648,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Pr-Ru,28.0,A2B3C2_oP28_57_cd_de_e:Ge-Pr-Ru +mp-569607,Pr(GeRu)2,-7.172365244,-0.6572119350000001,0.0,-0.1014486007,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Pr-Ru,5.0,A2BC2_tI10_139_e_a_d:Ge-Pr-Ru +mp-1188586,Pr2Ge5Ru3,-6.686334304,-0.6363184635,0.0,-0.02449925,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-Pr-Ru,20.0,A5B2C3_oI40_72_afj_j_bj:Ge-Pr-Ru +mp-978090,PrGeRu,-6.8838671767,-0.6577551267,0.0,-0.0380413998,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Pr-Ru,6.0,ABC_tP6_129_c_c_a:Ge-Pr-Ru +mp-1207272,Pr2Ge2Ru,-6.328491129,-0.712037177,0.016331922,0.016331922,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-Pr-Ru,10.0,A2B2C_mC20_12_2i_2i_i:Ge-Pr-Ru +mp-1206000,TmMgTl,-3.0981831233,-0.2852635833,0.0,-0.0907182209,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Tl-Tm,9.0,ABC_hP9_189_f_bc_g:Mg-Tl-Tm +mp-971705,Tm2MgTl,-3.421398345,-0.1927498342,0.0252963362,0.0252963362,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tl-Tm,4.0,ABC2_cF16_225_a_b_c:Mg-Tl-Tm +mp-1188115,Cs3ZnBr5,-3.1905484906,-1.8893160043,0.0003413606,0.0003413606,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Br-Cs-Zn,18.0,A5B3C_tI36_140_cl_ah_b:Br-Cs-Zn +mp-1193173,Cs2ZnBr4,-3.1542687714,-1.8310313894,0.0,-0.0225312701,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Zn,28.0,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Zn +mp-36988,Ca(AlSe2)2,-4.8250096929,-1.4706671999,0.0,-0.0230545764,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Ca-Se,14.0,"Invalid WP multiplicities - A2BC4_oC28_66_l_a_3k2l:Al-Ca-Se, expected Ca(AlSe5)2 to be Ca(AlSe2)2" +mp-1194264,Sc6Al16Ni7,-5.3789654086,-0.6070693855,0.0144583755,0.0144583755,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Sc +mp-1219369,ScAlNi,-5.8785853442,-0.5925248058,0.0144830892,0.0144830892,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Sc,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Sc, expected Sc3(AlNi)2 to be ScAlNi" +mp-10898,ScAlNi2,-6.037009595,-0.6274300212,0.0,-0.03818802,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ni-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Ni-Sc +mp-12781,ScAl2Ni,-5.557862655,-0.6569232938,0.0,-0.0611424818,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Sc,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Sc +mp-1186441,Pm2AlZn,-3.9727561275,-0.3461551062,0.0,-0.0737727394,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Pm-Zn +mp-1095579,TmAlPt,-5.9401943525,-1.1760128281,0.0,-0.1292773694,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pt-Tm,12.0,ABC_oP12_62_c_c_c:Al-Pt-Tm +mp-1207999,Tm4(Al8Pt3)3,-5.2866609473,-0.8964619880000001,0.0,-0.0940185481,GGA,P-1,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Tm,37.0,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Tm +mp-972217,Ti2CuTc,-7.8720847775,-0.3093773654,0.00680863,0.00680863,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Cu-Tc-Ti +mp-1076973,TiGeSb,-6.03777932,-0.4886056161,0.0,-0.0196745858,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Sb-Ti,6.0,ABC_tP6_129_a_c_c:Ge-Sb-Ti +mp-1217254,Ti20(Ge3Sb)3,-7.2671366106,-0.6451336497,0.0174988148,0.0174988148,GGA,Pm,A9B3C20_mP32_6_3a6b_3a_6a6b4c:Ge-Sb-Ti,32.0,"Invalid WP multiplicities - A9B3C20_mP32_6_3a6b_3a_6a6b8c:Ge-Sb-Ti, expected Ti28(Ge3Sb)3 to be Ti20(Ge3Sb)3" +mp-1079893,BaTiSe3,-5.830655041,-1.7702147631,0.0,-0.000903073,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-Se-Ti,10.0,AB3C_hP10_194_c_h_a:Ba-Se-Ti +mp-1217040,TiAlPd2,-6.2308761425,-0.7306682758,0.030355375,-0.0001970788,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Pd-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Pd-Ti +mp-865441,TiAlPd2,-6.2612315175,-0.7610236508,0.0,-0.0305524538,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Pd-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Pd-Ti +mp-1194178,Ti6Al16Pd7,-5.5896764441,-0.6392854769,0.0200433113,0.0200433113,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Pd-Ti +mp-1096714,ZrCrTc2,-5.843666635,3.8868398625,4.1229972906,4.1229972906,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Tc-Zr,4.0,AB2C_oI8_71_a_e_b:Cr-Tc-Zr +mp-1096193,Zr2CrTc,-5.71949265,3.5577792687,3.6880198803,3.6880198803,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Cr-Tc-Zr +mp-1184097,Er2CuTc,-6.0359685125,-0.1371477038,0.0844579728,0.0844579728,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Tc,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Tc +mp-865443,LuRh2Pb,-6.337941115,-0.5973877825,0.0,-0.0213605137,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Lu-Pb-Rh +mp-1212409,HfAsRu,-8.7477649994,-0.7841950078000001,0.0047484317,-0.0617352536,GGA,Ima2,ABC_oI36_46_bc_3b_ac:As-Hf-Ru,18.0,ABC_oI36_46_bc_3b_ac:As-Hf-Ru +mp-1079079,HfAsRu,-8.7525134311,-0.7889434394,0.0,-0.0664836853,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Hf-Ru,9.0,ABC_hP9_189_ad_f_g:As-Hf-Ru +mp-1100762,Pm2TlAg,-4.0044396925,-0.3303687437,0.0,-0.09967978,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Tl +mp-862966,PmTlAg2,-3.451876885,-0.257302516,0.0,-0.0188447475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pm-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Pm-Tl +mp-1206696,Er2AgSb3,-1.845067615,2.2140986089,3.0073977111,3.0073977111,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-Er-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-Er-Sb +mp-1208301,Th3Sn13Os4,-6.2172645222,-0.253490593,0.0158622762,0.0158622762,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Os-Sn-Th,40.0,A4B13C3_cP40_223_e_ak_c:Os-Sn-Th +mp-30732,HoTlPd,-4.6973965256,-0.6557519167,0.0,-0.0267063825,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Ho-Pd-Tl +mp-977416,Er2AgIr,-5.852555595,-0.6509486442,0.0189231999999999,0.0189231999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Ir,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Ir +mp-866085,Tm2IrRh,-7.26567646,-0.9770732358,0.0,-0.007662425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Tm +mp-1209436,Tm(TlTe2)3,-2.607712901,0.4346471213,1.1933785413,1.1933785413,GGA,Cmmm,A6B3C_oC20_65_kp_de_a:Te-Tl-Tm,10.0,A6B3C_oC20_65_kp_de_a:Te-Tl-Tm +mp-1008561,TmTlTe2,-4.51937223,-1.2380996408,0.0,-0.0582019224,GGA,R-3m,A2BC_hR12_166_c_a_b:Te-Tl-Tm,4.0,A2BC_hR12_166_c_a_b:Te-Tl-Tm +mp-1096205,Sc2TlGa,-2.547548335,1.9663710098,2.3593430505,2.3593430505,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Ga-Sc-Tl +mp-17501,Ba(ScTe2)2,-5.521752495,-1.6421615345,0.0,-0.01221809,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Sc-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Sc-Te +mp-1221878,Mn5(Bi2Pd)2,-6.4275846859,0.0753059141,0.2240591587,0.2240591587,GGA,F-43m,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Pd,22.0,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Pd +mp-1018701,EuSnHg,-5.4250337033000005,-0.5682823633,0.0,-0.02741244,GGA,P6_3mc,ABC_hP6_186_a_b_b:Eu-Hg-Sn,6.0,ABC_hP6_186_a_b_b:Eu-Hg-Sn +mp-867477,Eu2SnHg,-6.8767188025,-0.6699048475,0.0,-0.040104685,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-Sn,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-Sn +mp-1219444,Sm8Ga21Ru11,-5.636417776,-0.5524894387,0.0,-0.0306129895,GGA,C222,A21B11C8_oC80_21_aefgh2k2l_bcd2l_2l:Ga-Ru-Sm,40.0,"Invalid WP multiplicities - A21B11C8_oC80_21_aefgh3k3l_bcd3l_3l:Ga-Ru-Sm, expected Sm4Ga9Ru5 to be Sm8Ga21Ru11" +mp-622848,Sm2Ga9Ru5,-5.7033313131,-0.5119532398000001,0.0,-0.021317927,GGA,I4/mmm,A9B5C2_tI32_139_am_bde_c:Ga-Ru-Sm,16.0,"Invalid WP multiplicities - A9B5C2_tI32_139_a2m_bde_c:Ga-Ru-Sm, expected Sm2Ga17Ru5 to be Sm2Ga9Ru5" +mp-1209216,Sm2(Ga3Ru)3,-5.1523277121,-0.5442388484,0.0,-0.0153170961,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Sm +mp-675750,Ca(Ga3Te5)2,-3.7659503326,-0.7302306298,0.0,-0.0039482912,GGA,C2,AB6C10_mC68_5_c_6c_ab9c:Ca-Ga-Te,34.0,"Invalid WP multiplicities - AB6C10_mC68_5_c_11c_ab18c:Ca-Ga-Te, expected CaGa11Te19 to be Ca(Ga3Te5)2" +mp-977551,ErLuMg2,-3.12714663,-0.0548392725,0.0016665375,0.0016665375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Lu-Mg,4.0,ABC2_cF16_225_a_b_c:Er-Lu-Mg +mp-607044,Eu(ScSe2)2,-7.2469421368,-1.9747155767,0.0974046121,0.0974046121,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Sc-Se,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_14c:Eu-Sc-Se, expected EuSc5Se14 to be Eu(ScSe2)2" +mp-1103467,YbFe2,-6.0468178608,0.1130657058,0.1130657058,0.1130657058,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Yb,,A2B_hP12_194_ah_f:Fe-Yb +mp-1665,YbFe2,-6.0643385017,0.095545065,0.095545065,0.095545065,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Yb,,A2B_cF24_227_c_b:Fe-Yb +mp-669649,Yb6Fe23,-6.9626105103,0.0735321624,0.0735321624,0.0735321624,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Yb,,"Invalid WP multiplicities - A23B6_cF116_225_a5d13f_e:Fe-Yb, expected Yb2Fe45 to be Yb6Fe23" +mp-1216331,Yb(GaFe)6,-5.5643864762,-0.1391317319,0.1590799262,0.130120578,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Yb,,A6B6C_oF52_69_dm_em_a:Fe-Ga-Yb +mp-1104436,Yb(GaFe)6,-5.7234664023,-0.2982116581,0.0,-0.0289593481,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Yb,,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Yb +mp-1195706,Yb2Fe17,-7.6680076082,0.0724964513,0.0724964513,0.0724964513,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Yb,,A17B2_hP38_194_fgjk_bc:Fe-Yb +mp-1184161,ErCdHg2,-1.869868915,-0.34537659,0.0,-0.0421740346,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Er-Hg,4.0,ABC2_cF16_225_a_b_c:Cd-Er-Hg +mp-1184096,Er2CdHg,-2.98052167,-0.3900197338,0.01105466,0.01105466,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Er-Hg,4.0,AB2C_cF16_225_a_c_b:Cd-Er-Hg +mp-1212911,Dy5(GeSb)2,-5.516547825,-1.0123264483,0.0,-0.0203478981,GGA,Cmce,A5B2C2_oC36_64_ag_f_d:Dy-Ge-Sb,18.0,A5B2C2_oC36_64_ag_f_d:Dy-Ge-Sb +mp-21897,YbIn4Pt,-3.5878226367,-0.4849098833,0.0098801333,0.0098801333,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Pt-Yb,,A4BC_oC24_63_acf_c_c:In-Pt-Yb +mp-1078504,YbIn2Pt,-4.02071229,-0.742185025,0.0,-0.0390197172,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Pt-Yb,,A2BC_oC16_63_f_c_c:In-Pt-Yb +mp-1078378,YbInPt,-4.3755625089,-0.9214207322,0.0,-0.0711578823,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-Yb,,ABC_hP9_189_f_bc_g:In-Pt-Yb +mp-1104465,Lu3Ga8Rh3,-4.9484175671,-0.6712358993,0.0304316094,0.0304316094,GGA,Immm,A8B3C3_oI28_71_2n_ag_bf:Ga-Lu-Rh,14.0,A8B3C3_oI28_71_2n_ag_bf:Ga-Lu-Rh +mp-1210956,Lu2(Ga3Rh)3,-4.8438598739,-0.6733106702,0.0,-0.077006473,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Lu-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Lu-Rh +mp-865609,LuGaRh2,-6.4833337925,-0.9139182219,0.0,-0.0592303175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Lu-Rh +mp-1097099,MgBiPd2,-2.5394241775,1.4107090225,1.9544351437,1.9544351437,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Bi-Mg-Pd +mp-861645,Ca2MgTl,-2.2821754175,-0.2886446783,0.0,-0.0261481169,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Mg-Tl +mp-867266,CaMgTl2,-2.3614396875,-0.2786481317,0.0,-0.0350009079,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Ca-Mg-Tl +mp-1193272,Zr6Al16Pt7,-6.2179337348,-0.9174733797,0.0,-0.0702065207,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Pt-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Pt-Zr +mp-10906,ZrAlPt2,-6.4936598813,-0.3847741063,0.6779093831,0.6779093831,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Al-Pt-Zr,8.0,AB2C_hP8_194_b_f_c:Al-Pt-Zr +mp-1080760,ZrAlPt,-7.1613639922,-1.0398940656,0.0035661344,-0.0741315435,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pt-Zr,9.0,ABC_hP9_189_f_bc_g:Al-Pt-Zr +mp-567927,ZrAlPt,-7.1649301267,-1.0434602,0.0,-0.077697678,GGA,P-62c,ABC_hP18_190_g_bf_h:Al-Pt-Zr,18.0,"Invalid WP multiplicities - ABC_hP18_190_g_b2f_h:Al-Pt-Zr, expected Zr3Al3Pt5 to be ZrAlPt" +mp-865807,Ti2MoIr,-9.5044276575,-0.6356605767,0.0,-0.1086092183,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mo-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Mo-Ti +mp-1096261,MgGaPt2,-2.8402369175,1.3524237606,2.062738505,2.0232117331,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Ga-Mg-Pt +mp-1185861,MgGaPt2,-4.9029754225,-0.7103147444,0.0,-0.0395267719,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Pt,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Pt +mp-1209151,Si4Mo8Pt5,-8.4501279809,-0.2841197691,0.1581401501,0.1581401501,GGA,Cc,A8B5C4_mC68_9_8a_5a_4a:Mo-Pt-Si,34.0,A8B5C4_mC68_9_8a_5a_4a:Mo-Pt-Si +mp-978785,Si4MoPt3,-6.9848811875,-0.6398409138000001,0.0,-0.0186460481,GGA,Pnma,AB3C4_oP32_62_c_3c_4c:Mo-Pt-Si,32.0,AB3C4_oP32_62_c_3c_4c:Mo-Pt-Si +mp-978568,Si3MoPt2,-7.1384368042,-0.5944583308,0.021760626,0.021760626,GGA,Pmc2_1,AB2C3_oP12_26_a_ab_a2b:Mo-Pt-Si,12.0,"Invalid WP multiplicities - AB2C3_oP12_26_a_2a2b_2a4b:Mo-Pt-Si, expected Si6MoPt4 to be Si3MoPt2" +mp-1102086,TiNiAs,-6.8850875425,-0.7735051753000001,0.0,-0.0974827589,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ni-Ti,12.0,ABC_oP12_62_c_c_c:As-Ni-Ti +mp-13583,Sc2Si2Ru,-7.418300375,-0.8603050130000001,0.0070720365,0.0070720365,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Ru-Sc-Si,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_4i:Ru-Sc-Si, expected Sc4Si4Ru to be Sc2Si2Ru" +mp-1193608,Sc3Si3Ru,-7.2161643707,-0.8521980929,0.0,-0.0073259179,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Ru-Sc-Si,28.0,AB3C3_oP28_62_c_3c_3c:Ru-Sc-Si +mp-1095923,ScSiRu2,-4.86041762,2.7162304338,3.393326395,3.393326395,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sc-Si,4.0,A2BC_oI8_71_e_a_b:Ru-Sc-Si +mp-1102525,ScSiRu,-7.8828109833,-0.8720810917,0.0307135233,-0.1370939547,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Sc-Si,12.0,ABC_oP12_62_c_c_c:Ru-Sc-Si +mp-1080715,ScSiRu,-7.9135245067,-0.902794615,0.0,-0.1678074781,GGA,P-62m,ABC_hP9_189_f_g_bc:Ru-Sc-Si,9.0,ABC_hP9_189_f_g_bc:Ru-Sc-Si +mp-1214184,BeAg4,-2.516762988,0.4971643877,0.4971643877,0.4971643877,GGA,Fd-3m,A4B_cF40_227_e_a:Ag-Be,10.0,A4B_cF40_227_e_a:Ag-Be +mp-603,Be2Ag,-3.4108671983,0.0262600461,0.0262600461,0.0262600461,GGA,Fd-3m,AB2_cF24_227_a_d:Ag-Be,6.0,AB2_cF24_227_a_d:Ag-Be +mp-1093938,Be2AgPt,-2.29937797,1.7962507933,2.0837791638,2.0837791638,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Be-Pt,4.0,AB2C_oI8_71_a_e_b:Ag-Be-Pt +mp-984719,BeAg3,-2.8388142325,0.2204559863,0.2204559863,0.2204559863,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Be,4.0,A3B_cP4_221_c_a:Ag-Be +mp-12665,Be12Ag,-3.5595310838,0.110123561,0.110123561,0.110123561,GGA,I4/mmm,AB12_tI26_139_a_fij:Ag-Be,13.0,AB12_tI26_139_a_fij:Ag-Be +mp-865229,Be2NiIr,-6.1064890075000005,-0.5821398600000001,0.0,-0.1941854408,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ir-Ni,4.0,A2BC_cF16_225_c_a_b:Be-Ir-Ni +mp-631353,MnRePt,-8.6449391367,0.5809527957,0.8390131752000001,0.8390131752000001,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Pt-Re,3.0,ABC_cF12_216_a_c_b:Mn-Pt-Re +mp-861726,PuBiPd2,-7.07696952,0.04005325,0.5303323711,0.5303323711,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Pu,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Pu +mp-1096161,Sc2TlFe,-3.60140693,2.2729937117,2.4799033002,2.4799033002,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Fe-Sc-Tl +mp-21330,EuAgAs,-6.7041233217,-0.7878979189,0.0,-0.0112730528,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-As-Eu,6.0,ABC_hP6_194_c_d_a:Ag-As-Eu +mp-865873,TmCdAg2,-3.04610894,-0.2801496425,0.0,-0.0132993652,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Tm +mp-608777,Eu(InAs)2,-5.624510905,-0.608789691,0.0,-0.0513497603,GGA,P6_3/mmc,A2BC2_hP10_194_f_a_f:As-Eu-In,10.0,A2BC2_hP10_194_f_a_f:As-Eu-In +mp-861658,LiMnPt2,-6.2834832975,-0.4801820978,0.0,-0.0033597525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Mn-Pt,4.0,ABC2_cF16_225_a_b_c:Li-Mn-Pt +mp-570080,Li2TeSe3,-3.7764091858,-0.8682615092,0.0004363692,0.0004363692,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Li-Se-Te,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_3e_8e_e:Li-Se-Te, expected Li3TeSe8 to be Li2TeSe3" +mp-1018744,LaPbAu,-4.61457326,-0.640394535,0.0101937033,0.0101937033,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-La-Pb,6.0,ABC_hP6_194_c_a_d:Au-La-Pb +mp-862663,LaPbAu2,-4.459845635,-0.6607410912,0.0,-0.0415323122,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Pb,4.0,A2BC_cF16_225_c_a_b:Au-La-Pb +mp-1093663,LiCa2Pd,-1.7639812300000002,1.0110198792,1.4305363916,1.4305363916,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Li-Pd,4.0,A2BC_oI8_71_e_a_b:Ca-Li-Pd +mp-605650,Ba5Ga5Pb,-3.05873727,-0.4725552807,0.0,-0.0016525712,GGA,P-6m2,A5B5C_hP11_187_ahi_gk_c:Ba-Ga-Pb,11.0,"Invalid WP multiplicities - A5B5C_hP11_187_a2hi_2g2k_c:Ba-Ga-Pb, expected Ba7Ga10Pb to be Ba5Ga5Pb" +mp-1206588,Th2(CoAs)3,-6.8820766288,-0.6158234913,0.2341140531,0.2341140531,GGA,C2/m,A3B3C2_mC16_12_ai_di_i:As-Co-Th,8.0,A3B3C2_aP8_2_bi_di_i:As-Co-Th +mp-1080800,Th(CoAs)2,-6.991322624,-0.8015764940000001,0.0,-0.096347407,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Co-Th,10.0,A2B2C_tP10_129_ac_bc_c:As-Co-Th +mp-1193334,Hf9CoRe4,-10.8120962136,-0.3477299418,0.0,-0.0682294228,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Co-Hf-Re,28.0,AB9C4_hP28_194_c_hk_ah:Co-Hf-Re +mp-864877,Hf2CoRe,-10.2774975925,-0.4106918325,0.0,-0.0119838897,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Hf-Re,4.0,AB2C_cF16_225_a_c_b:Co-Hf-Re +mp-1213800,Ce3ZrSb5,-6.2824571917,-1.0611267144,0.0,-0.0653387822,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Ce-Sb-Zr,18.0,A3B5C_hP18_193_g_dg_b:Ce-Sb-Zr +mp-1205560,Rb2As2Pd,-3.793550511,-0.501713158,0.0,-0.1174394666,GGA,Cmcm,A2BC2_oC20_63_g_a_2c:As-Pd-Rb,10.0,A2BC2_oC20_63_g_a_2c:As-Pd-Rb +mp-865111,NaSmAu2,-3.7414703175,-0.5942514604,0.0,-0.0023346297,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Na-Sm +mp-1223453,La2Ga5Au3,-4.058074399,-0.5746603668,0.0277133504,0.0277133504,GGA,P-4m2,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-La,10.0,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-La +mp-862654,LaGaAu2,-4.2633205875,-0.6353538056,0.0498563189,0.0498563189,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-La,4.0,A2BC_cF16_225_c_a_b:Au-Ga-La +mp-1223761,La2Ga7Au,-4.023084883,-0.5888280462000001,0.0,-0.0840837846,GGA,P4mm,AB7C2_tP10_99_a_a2b2c_ab:Au-Ga-La,10.0,"Invalid WP multiplicities - AB7C2_tP10_99_a_a2b4c_ab:Au-Ga-La, expected La2Ga11Au to be La2Ga7Au" +mp-1091370,LuInAu,-4.22254757,-0.7070421533,0.0,-0.035450035,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Lu,9.0,ABC_hP9_189_ad_g_f:Au-In-Lu +mp-1095152,Lu2InAu2,-4.473472414,-0.8052026600000001,0.0,-0.01916778,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Lu,10.0,A2BC2_tP10_127_g_a_h:Au-In-Lu +mp-1211035,Lu2InAu2,-4.2527744445,-0.5845046905,0.2206979695,0.2015301895,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Au-In-Lu,20.0,A2BC2_tP10_127_h_a_g:Au-In-Lu +mp-1105797,Lu2InAu2,-4.4720503385,-0.8037805845,0.0014220755,-0.0177457045,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-In-Lu,20.0,A2BC2_tP20_136_j_d_fg:Au-In-Lu +mp-30393,LuInAu2,-4.13897748,-0.6838779175,0.0,-0.0041855433,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Lu,4.0,A2BC_cF16_225_c_a_b:Au-In-Lu +mp-35907,La5TlTe8,-5.446872235,-1.7190775337000002,0.0,-0.0123830534,GGA,I-4,A5B8C_tI28_82_ag_2g_c:La-Te-Tl,14.0,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_6g_c:La-Te-Tl, expected La9TlTe24 to be La5TlTe8" +mp-1223306,La(Tl3Te2)3,-3.4867182181,-0.6704912941000001,0.0,-0.0059274168,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:La-Te-Tl,16.0,AB6C9_tI32_87_a_eh_bi:La-Te-Tl +mp-1103069,TmCoSn,-5.6845203958,-0.4866120381,0.0,-0.0385825828,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Sn-Tm,12.0,ABC_oP12_62_c_c_c:Co-Sn-Tm +mp-1208052,Tm6Co2Sn,-5.373431185,-0.3644067422,0.0,-0.041017401,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Tm,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Tm +mp-1207963,Tm3Co6Sn5,-5.7677259107,-0.3302064596,0.0135953186,0.0135953186,GGA,Immm,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Tm,14.0,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Tm +mp-1187580,TmCo2Sn,-5.9885134225000005,-0.3130027054,0.0519563231,0.0519563231,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sn-Tm,4.0,A2BC_cF16_225_c_a_b:Co-Sn-Tm +mp-1208089,Tm3(Co2Sn)4,-6.049099165,-0.293610095,0.0128143463,0.0128143463,GGA,P6_3mc,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Tm,30.0,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Tm +mp-1216886,Tm4CoSn8,-4.8636399438,-0.4722373032,0.0276335077,0.0276335077,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Co-Sn-Tm,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Co-Sn-Tm +mp-20935,ZrSnIr,-7.8620516578,-0.7301494361,0.01863639,-0.1170637101,GGA,P-62m,ABC_hP9_189_ad_g_f:Ir-Sn-Zr,9.0,ABC_hP9_189_ad_g_f:Ir-Sn-Zr +mp-607139,ZrSnIr,-7.8806880478,-0.7487858261,0.0,-0.1357001001,GGA,P-62c,ABC_hP18_190_bf_g_h:Ir-Sn-Zr,18.0,ABC_hP18_190_bf_g_h:Ir-Sn-Zr +mp-1220782,Nb12Ga3Ge,-8.6261593194,-0.1934732942,0.0567817303,0.0567817303,GGA,Pmmm,A3BC12_oP16_47_al_b_2knpw:Ga-Ge-Nb,16.0,"Invalid WP multiplicities - A3BC12_oP16_47_al_b_4k2n2p2w:Ga-Ge-Nb, expected Nb24Ga3Ge to be Nb12Ga3Ge" +mp-1220381,Nb6GaGe,-8.7461250513,-0.2137557866,0.0597427161,0.0597427161,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ga-Ge-Nb,8.0,ABC6_cP8_200_a_b_f:Ga-Ge-Nb +mp-1215366,Zr4FeNi,-8.286983105000001,-0.2134897033,0.0198981612,0.0198981612,GGA,I422,ABC4_tI12_97_a_b_j:Fe-Ni-Zr,6.0,ABC4_tI12_97_a_b_j:Fe-Ni-Zr +mp-1207550,YbMgAg,-2.3143296425,-0.3235148647,0.0,-0.0384185945,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Mg-Yb,,ABC_oP12_62_c_c_c:Ag-Mg-Yb +mp-1222996,Li5Yb4Sn5,-2.9549294993,-0.4012933044,0.1378566648,0.1378566648,GGA,R3m,A5B5C4_hR42_160_5a_5a_4a:Li-Sn-Yb,,A5B5C4_hR42_160_5a_5a_4a:Li-Sn-Yb +mp-866192,Li2YbSn,-2.8468570125,-0.5051005454,0.0,-0.0393043399,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sn-Yb,,A2BC_cF16_225_c_a_b:Li-Sn-Yb +mp-865278,NbAlOs2,-9.513614715,-0.4382107825,0.0,-0.1274676939,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Nb-Os,4.0,ABC2_cF16_225_a_b_c:Al-Nb-Os +mp-675066,Nb3IrSe8,-6.6128579117,-1.0203878182,0.0107543194,0.0107543194,GGA,Cc,AB3C8_mC48_9_a_3a_8a:Ir-Nb-Se,24.0,"Invalid WP multiplicities - AB3C8_mC48_9_a_4a_16a:Ir-Nb-Se, expected Nb4IrSe16 to be Nb3IrSe8" +mp-1220676,Nb3IrSe8,-6.5526814817,-0.9602113882,0.0709307494,0.0709307494,GGA,C2/m,AB3C8_mC24_12_a_be_2ij:Ir-Nb-Se,12.0,"Invalid WP multiplicities - AB3C8_mC24_12_a_bf_4ij:Ir-Nb-Se, expected Nb3IrSe12 to be Nb3IrSe8" +mp-1173033,Nb3IrSe8,-6.6129826567,-1.0205125632,0.0106295744,0.0106295744,GGA,C2/c,AB3C8_mC48_15_e_ef_4f:Ir-Nb-Se,24.0,"Invalid WP multiplicities - AB3C8_mC48_15_e_2e2f_14f:Ir-Nb-Se, expected Nb6IrSe28 to be Nb3IrSe8" +mp-1220701,Nb3(IrSe5)2,-6.435597772,-0.9062712216,0.0499536092,0.0499536092,GGA,P-1,A2B3C10_aP15_2_i_ai_5i:Ir-Nb-Se,15.0,"Invalid WP multiplicities - A2B3C10_aP15_2_i_a2i_10i:Ir-Nb-Se, expected Nb5(IrSe10)2 to be Nb3(IrSe5)2" +mp-675326,Nb4IrSe10,-6.6297205453,-1.0162026042,0.039911969,0.039911969,GGA,P-1,AB4C10_aP15_2_a_2i_5i:Ir-Nb-Se,15.0,"Invalid WP multiplicities - AB4C10_aP15_2_a_3i_8i:Ir-Nb-Se, expected Nb6IrSe16 to be Nb4IrSe10" +mp-674017,Nb17Ir3Se40,-6.6140901655,-0.9795243767,0.1015626321,0.1015626321,GGA,C2/m,A3B17C40_mC120_12_ai_c8i_20i:Ir-Nb-Se,60.0,"Invalid WP multiplicities - A3B17C40_mC120_12_a2i_c15i_39i:Ir-Nb-Se, expected Nb31Ir5Se78 to be Nb17Ir3Se40" +mp-675290,Nb9IrSe20,-6.718823715,-1.0632100786,0.0428493659,0.0428493659,GGA,P-1,AB9C20_aP30_2_a_d4i_10i:Ir-Nb-Se,30.0,"Invalid WP multiplicities - AB9C20_aP30_2_a_d6i_19i:Ir-Nb-Se, expected Nb13IrSe38 to be Nb9IrSe20" +mp-1225267,DyAlGa,-4.36109578,-0.5676095492000001,0.0120852858,0.0120852858,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Dy-Ga,3.0,ABC_hP3_187_a_d_e:Al-Dy-Ga +mp-1093871,ZrZnAu2,-2.552718195,1.5360838650000002,2.0060935025,1.9901170318,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Zn-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Zn-Zr +mp-1183037,ZrZnAu2,-4.5588116975,-0.4700096375,0.0,-0.0159764707,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Au-Zn-Zr +mp-1096655,ZrZn2Au,-1.7156816375,1.869585825,2.2494709869,2.2494709869,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Au-Zn-Zr +mp-861600,Ho2ZnIn,-3.6907376175,-0.3966763475,0.0,-0.0037096025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-In-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-In-Zn +mp-1018729,HoZnIn,-3.2877871867,-0.4231751167,0.0,-0.0150396325,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ho-In-Zn,6.0,ABC_hP6_194_a_c_d:Ho-In-Zn +mp-1221465,Mo6IrRu,-10.4239018063,-0.0255596338,0.0669229442,0.0669229442,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ir-Mo-Ru,8.0,AB6C_cP8_200_a_f_b:Ir-Mo-Ru +mp-1186458,PaInRu2,-8.074190295,-0.3704019275,0.0,-0.323492515,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:In-Pa-Ru +mp-862588,LiDy2Tc,-5.4079186675,-0.0371347946,0.031292117,0.031292117,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Tc,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Tc +mp-865336,Lu2OsPd,-7.0375765,-0.67528893,0.0,-0.0039568926,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Os-Pd,4.0,A2BC_cF16_225_c_a_b:Lu-Os-Pd +mp-1184131,Er2AgOs,-6.1207452,-0.3219049367,0.0140564223,0.0140564223,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Os,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Os +mp-1095712,Sc2BeTl,-2.2849820575,2.4067664979,2.5904113922,2.5904113922,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Be-Sc-Tl +mp-979045,Tm2CuPd,-5.179631735,-0.6219419033,0.0,-0.0004641,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pd-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Pd-Tm +mp-1185496,LuHfRh2,-8.2296559425,-0.92796712,0.0159366575,0.0159366575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Hf-Lu-Rh +mp-1184518,GdDyIr2,-9.880039615,-0.790095255,0.0,-0.1688527363,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Gd-Ir,4.0,ABC2_cF16_225_a_b_c:Dy-Gd-Ir +mp-1184603,Ho2GaOs,-6.2333473025,-0.3782770044,0.0893747206,0.0893747206,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Ga-Ho-Os +mp-1212057,HoGa3Os,-5.4645661153,-0.4857532418,0.0,-0.0381400047,GGA,Pm-3m,A3BC_cP15_221_ag_d_c:Ga-Ho-Os,15.0,A3BC_cP15_221_ag_d_c:Ga-Ho-Os +mp-1187614,YbLuHg2,-2.21642541,-0.5494455275,0.0053514475,0.0053514475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Yb,,A2BC_cF16_225_c_a_b:Hg-Lu-Yb +mp-1183500,CaAcTl2,-3.1283856525,-0.4153703573,0.0,-0.152206165,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Tl,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Tl +mp-771973,BaLa2Cl8,-5.2750579627,-2.85875956,0.0360203327,0.0360203327,GGA,C2/m,AB8C2_mC22_12_a_gij_h:Ba-Cl-La,11.0,"Invalid WP multiplicities - AB8C2_mC22_12_a_g2i2j_h:Ba-Cl-La, expected BaLa2Cl14 to be BaLa2Cl8" +mp-772886,BaLa2Cl8,-5.2532572182,-2.8369588155,0.0578210773,0.0578210773,GGA,C2/c,AB8C2_mC44_15_e_4f_f:Ba-Cl-La,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_15f_f:Ba-Cl-La, expected BaLa2Cl30 to be BaLa2Cl8" +mp-1178553,BaLa2Cl8,-5.23224943,-2.8159510273,0.0788288655,0.0788288655,GGA,I-4,AB8C2_tI44_82_ac_4g_g:Ba-Cl-La,22.0,"Invalid WP multiplicities - AB8C2_tI44_82_ac_11g_g:Ba-Cl-La, expected BaLa2Cl22 to be BaLa2Cl8" +mp-781880,Ba9La5Cl33,-5.1056915215,-2.9152123776,0.0100450556,0.0100450556,GGA,P-1,A9B33C5_aP94_2_9i_33i_5i:Ba-Cl-La,94.0,"Invalid WP multiplicities - A9B33C5_aP94_2_17i_65i_9i:Ba-Cl-La, expected Ba17La9Cl65 to be Ba9La5Cl33" +mp-772019,Ba5La2Cl16,-4.9935230626,-2.8611980422,0.0719081222,0.0719081222,GGA,Ccce,A5B16C2_oC92_68_agh_4i_h:Ba-Cl-La,46.0,"Invalid WP multiplicities - A5B16C2_oC92_68_a2g2h_11i_h:Ba-Cl-La, expected Ba9La2Cl44 to be Ba5La2Cl16" +mp-1183380,Ba3La,-2.4984525037,0.1747804775,0.1747804775,0.1747804775,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-La,8.0,A3B_hP8_194_h_c:Ba-La +mp-1183334,Ba3La,-2.5008337775,0.1723992037,0.1723992037,0.1723992037,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-La,4.0,A3B_cP4_221_c_a:Ba-La +mp-772064,BaLaCl5,-5.1400450812,-2.8403786033,0.0701424367,0.0701424367,GGA,P-1,AB5C_aP42_2_3i_15i_3i:Ba-Cl-La,42.0,"Invalid WP multiplicities - AB5C_aP42_2_5i_29i_5i:Ba-Cl-La, expected Ba5La5Cl29 to be BaLaCl5" +mp-770427,BaLaCl5,-5.14744032,-2.8477738421,0.0627471979,0.0627471979,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-Cl-La,28.0,"Invalid WP multiplicities - AB5C_mP28_4_3a_19a_3a:Ba-Cl-La, expected Ba3La3Cl19 to be BaLaCl5" +mp-753650,BaLaCl5,-5.1346136679,-2.8349471900000003,0.07557385,0.07557385,GGA,P2_1/m,AB5C_mP14_11_e_5e_e:Ba-Cl-La,14.0,"Invalid WP multiplicities - AB5C_mP14_11_e_9e_e:Ba-Cl-La, expected BaLaCl9 to be BaLaCl5" +mp-770271,BaLaCl5,-5.1456987196,-2.8460322418,0.0644887982,0.0644887982,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ba-Cl-La,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_19e_e:Ba-Cl-La, expected BaLaCl19 to be BaLaCl5" +mp-772035,BaLaCl5,-5.1480355738,-2.8483690959,0.0621519441,0.0621519441,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Cl-La,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_37e_3e:Ba-Cl-La, expected Ba7La3Cl37 to be BaLaCl5" +mp-772063,BaLaCl5,-5.1330813623,-2.8334148845,0.0771061555,0.0771061555,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Cl-La,56.0,"Invalid WP multiplicities - AB5C_mP56_14_3e_39e_3e:Ba-Cl-La, expected BaLaCl13 to be BaLaCl5" +mp-773141,BaLaCl5,-5.1412411193,-2.8415746414000003,0.0689463986,0.0689463986,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Cl-La,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_5e:Ba-Cl-La, expected Ba7La5Cl39 to be BaLaCl5" +mp-1178523,BaLaCl5,-5.141787455,-2.8421209771,0.0684000629,0.0684000629,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-Cl-La,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-Cl-La, expected BaLaCl16 to be BaLaCl5" +mp-770125,BaLaCl5,-5.1341414839,-2.8344750061,0.0760460339,0.0760460339,GGA,Pnma,AB5C_oP28_62_c_c2d_c:Ba-Cl-La,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_2c7d_c:Ba-Cl-La, expected BaLaCl16 to be BaLaCl5" +mp-769049,BaLaCl5,-5.1271006175,-2.8274341396,0.0830869004,0.0830869004,GGA,Pnma,AB5C_oP28_62_c_c2d_c:Ba-Cl-La,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_3c6d_c:Ba-Cl-La, expected BaLaCl15 to be BaLaCl5" +mp-771967,BaLaCl5,-5.1219468466,-2.8222803688,0.0882406713,0.0882406713,GGA,Pnma,AB5C_oP56_62_2c_2c4d_2c:Ba-Cl-La,56.0,"Invalid WP multiplicities - AB5C_oP56_62_5c_8c13d_5c:Ba-Cl-La, expected Ba5La5Cl34 to be BaLaCl5" +mp-1183383,BaLa3,-4.01114922,0.1705998437,0.1705998437,0.1705998437,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-La,8.0,AB3_hP8_194_c_h:Ba-La +mp-1183311,BaLa3,-4.01648971,0.1652593537,0.1652593537,0.1652593537,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-La,4.0,AB3_cP4_221_a_c:Ba-La +mp-772017,Ba3La2Cl12,-5.0684390515,-2.8442402897,0.0764661985,0.0764661985,GGA,P-1,A3B12C2_aP34_2_3i_12i_2i:Ba-Cl-La,34.0,"Invalid WP multiplicities - A3B12C2_aP34_2_5i_23i_3i:Ba-Cl-La, expected Ba5La3Cl23 to be Ba3La2Cl12" +mp-1349884,Ba3La2Cl12,-3.8616988418,-1.63750008,1.2832064082,1.2832064082,GGA,P-1,A3B12C2_aP34_2_3i_12i_2i:Ba-Cl-La,34.0,"Invalid WP multiplicities - A3B12C2_aP34_2_5i_23i_3i:Ba-Cl-La, expected Ba5La3Cl23 to be Ba3La2Cl12" +mp-771944,Ba3La2Cl12,-5.1021840915,-2.8779853297,0.0427211585,0.0427211585,GGA,C2/c,A3B12C2_mC68_15_ef_6f_f:Ba-Cl-La,34.0,"Invalid WP multiplicities - A3B12C2_mC68_15_2ef_23f_f:Ba-Cl-La, expected Ba2LaCl23 to be Ba3La2Cl12" +mp-771914,Ba3La2Cl12,-5.1035402032,-2.8793414415000003,0.0413650468,0.0413650468,GGA,P4/mbm,A3B12C2_tP34_127_ah_fgl_g:Ba-Cl-La,34.0,"Invalid WP multiplicities - A3B12C2_tP34_127_2a2h_2f4g6l_g:Ba-Cl-La, expected Ba3LaCl30 to be Ba3La2Cl12" +mp-771948,Ba3LaCl9,-5.0206613985,-2.9183720242,0.0187878804,0.0187878804,GGA,Pc,A3B9C_mP52_7_6a_18a_2a:Ba-Cl-La,52.0,"Invalid WP multiplicities - A3B9C_mP52_7_12a_34a_4a:Ba-Cl-La, expected Ba6La2Cl17 to be Ba3LaCl9" +mp-771958,Ba3LaCl9,-4.9555089017,-2.8532195275000003,0.0839403771,0.0839403771,GGA,Pnma,A3B9C_oP52_62_3c_3c3d_c:Ba-Cl-La,52.0,"Invalid WP multiplicities - A3B9C_oP52_62_9c_10c11d_c:Ba-Cl-La, expected Ba9LaCl32 to be Ba3LaCl9" +mp-773111,Ba2LaCl7,-5.0233093015,-2.851937941,0.075898361,0.075898361,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-Cl-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-Cl-La, expected Ba7La3Cl27 to be Ba2LaCl7" +mp-771963,Ba2LaCl7,-5.0067145278,-2.8353431673,0.0924931348,0.0924931348,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Cl-La, expected Ba5LaCl25 to be Ba2LaCl7" +mp-772955,Ba2LaCl7,-5.087462331,-2.9160909705,0.0117453315,0.0117453315,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Cl-La, expected Ba5LaCl25 to be Ba2LaCl7" +mp-756251,Ba2LaCl7,-5.0549503335,-2.883578973,0.044257329,0.044257329,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Ba-Cl-La,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e9f_e:Ba-Cl-La, expected Ba2LaCl20 to be Ba2LaCl7" +mp-773953,Ba2LaCl7,-5.0111111273,-2.8397397668,0.0880965353,0.0880965353,GGA,C2/c,A2B7C_mC80_15_2f_7f_f:Ba-Cl-La,40.0,"Invalid WP multiplicities - A2B7C_mC80_15_7f_25f_f:Ba-Cl-La, expected Ba7LaCl25 to be Ba2LaCl7" +mp-1223948,HoAgSn,-4.0942569783,-0.2860780689,0.29559264,0.2125642085,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Ho-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Ho-Sn +mp-4311,HoAgSn,-4.3898496183,-0.5816707089,0.0,-0.0830284315,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Ho-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Ho-Sn +mp-1223806,HoAgSn,-4.32585615,-0.5176772406,0.0639934683,-0.0190349632,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Ho-Sn,3.0,ABC_hP3_187_a_d_e:Ag-Ho-Sn +mp-567670,Ho3(AgSn)4,-4.2028691918,-0.4650748242,0.0139175434,0.0139175434,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Ho-Sn,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_a2f_eh:Ag-Ho-Sn, expected Ho5(AgSn)4 to be Ho3(AgSn)4" +mp-1223789,HoAgSn2,-4.2881069775,-0.4295798317,0.009781167,0.009781167,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ag-Ho-Sn,4.0,ABC2_tP4_123_a_c_e:Ag-Ho-Sn +mp-1224249,Ho4ReGe8,-5.6916596492,-0.4794761488,0.092036507,0.092036507,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Re,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Re +mp-1227630,Ca2TlCd,-2.23049347,-0.4063103033,0.003199405,-0.006563665,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ca-Cd-Tl,4.0,A2BC_tP4_123_h_a_b:Ca-Cd-Tl +mp-867849,Ca2TlCd,-2.233692875,-0.4095097083,0.0,-0.00976307,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Tl +mp-984769,CaTl2Cd,-2.1425005725,-0.2290565892,0.0253574977,0.0253574977,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Cd-Tl,4.0,ABC2_cF16_225_a_b_c:Ca-Cd-Tl +mp-867260,CdAgPd2,-3.787112845,-0.2583104992,0.0,-0.014822925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Pd,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Pd +mp-1096709,Cd2AgPd,-1.421474575,1.0430797583,1.2831650617,1.2831650617,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-Pd,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-Pd +mp-1213136,Dy2(Ga3Ir)3,-5.1708289775,-0.672133233,0.0,-0.113975806,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Ir,28.0,A2B9C3_oC56_63_g_cfgh_ae:Dy-Ga-Ir +mp-1104443,Dy3Ga8Ir3,-5.2714189379,-0.6599595636000001,0.0262225861,0.0262225861,GGA,Immm,A3B8C3_oI28_71_ag_2n_bf:Dy-Ga-Ir,14.0,A3B8C3_oI28_71_ag_2n_bf:Dy-Ga-Ir +mp-1096504,Sr2LiPd,-1.6686166025,0.9483312933,1.2788205067,1.2788205067,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pd-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Pd-Sr +mp-29139,NaAuSe2,-3.6334518912,-0.7363943291,0.0,-0.037346145,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Au-Na-Se,16.0,ABC2_mP16_14_e_e_2e:Au-Na-Se +mp-29198,Na5AuSe12,-3.6986322817,-0.8187741595,0.0,-0.0454766561,GGA,P2_1,AB5C12_mP36_4_a_5a_12a:Au-Na-Se,36.0,"Invalid WP multiplicities - AB5C12_mP36_4_a_5a_17a:Au-Na-Se, expected Na5AuSe17 to be Na5AuSe12" +mp-31072,Sc6Te2Rh,-6.5334187744,-0.7950038537,0.0821377858,0.0821377858,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Rh-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Rh-Sc-Te +mp-1100405,ScTeRh,-6.83163671,-1.2182757539,0.0,-0.126073495,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sc-Te,3.0,ABC_cF12_216_c_a_b:Rh-Sc-Te +mp-1215856,Yb(HoSe2)2,-5.7239108471,-2.1970434285,0.0106322207,0.0106322207,GGA,P2/m,A2B4C_mP7_10_bd_mn_c:Ho-Se-Yb,,"Invalid WP multiplicities - A2B4C_mP7_10_ce_2m2n_b:Ho-Se-Yb, expected Yb(HoSe4)2 to be Yb(HoSe2)2" +mp-1194224,Yb(HoSe2)2,-5.727958035,-2.2010906163,0.0065850329,0.0065850329,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ho-Se-Yb,,A2B4C_oP28_62_2c_4c_c:Ho-Se-Yb +mp-1224791,GaNi2Pt,-5.54229238,-0.3774167044,0.0,-0.0304148417,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ga-Ni-Pt,4.0,AB2C_tP4_123_a_e_c:Ga-Ni-Pt +mp-1224838,Ga4Ni3Pt,-4.8980981963,-0.457607265,0.0027676801,0.0027676801,GGA,R3,A4B3C_hR24_146_ab_b_a:Ga-Ni-Pt,8.0,A4B3C_hR24_146_ab_b_a:Ga-Ni-Pt +mp-1096493,GaNiPt2,-3.2121459225,2.0254789131,2.4362684869,2.4362684869,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Ni-Pt,4.0,ABC2_oI8_71_a_b_e:Ga-Ni-Pt +mp-20246,Mn4Ge6Ir7,-7.65144263,-0.2246621854,0.0542244845,0.0542244845,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Mn,17.0,"Invalid WP multiplicities - A6B7C4_cI34_229_e_a2d_c:Ge-Ir-Mn, expected Mn4Ge6Ir13 to be Mn4Ge6Ir7" +mp-22492,Mn3GeIr,-8.232824028,-0.0433224458,0.1368558066,0.1368558066,GGA,P2_13,ABC3_cP20_198_a_a_b:Ge-Ir-Mn,20.0,ABC3_cP20_198_a_a_b:Ge-Ir-Mn +mp-1211046,MnGeIr,-7.78689651,-0.245737401,0.0132300204,0.0132300204,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Mn,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Mn +mp-1222449,Lu2NiGe4,-5.3667041543,-0.6075399914,0.0154253314,0.0154253314,GGA,Amm2,A4B2C_oC14_38_2a2b_ab_a:Ge-Lu-Ni,,A4B2C_oC14_38_2a2b_ab_a:Ge-Lu-Ni +mp-1079715,LuNiGe3,-5.346626124,-0.512591971,0.01315688,0.01315688,GGA,Cmmm,A3BC_oC20_65_2gh_h_g:Ge-Lu-Ni,10.0,A3BC_oC20_65_2gh_h_g:Ge-Lu-Ni +mp-1206450,Lu2NiGe6,-5.1922535578,-0.4633419078,0.0211866767,0.0211866767,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Lu-Ni,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Lu-Ni +mp-1211040,Lu3Ni11Ge4,-5.7833655589,-0.4702285333,0.0320035604,0.0320035604,GGA,P6_3/mmc,A4B3C11_hP36_194_bg_h_fhk:Ge-Lu-Ni,36.0,A4B3C11_hP36_194_bg_h_fhk:Ge-Lu-Ni +mp-13399,Lu(NiGe)2,-5.710291936,-0.644836018,0.0,-0.033449661,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Lu-Ni,5.0,A2BC2_tI10_139_e_a_d:Ge-Lu-Ni +mp-29779,Lu3Ni2Ge3,-5.6937836881,-0.8197576275,0.0,-0.0108661667,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Ge-Lu-Ni,16.0,"Invalid WP multiplicities - A3B3C2_oC32_63_c2f_cf_f:Ge-Lu-Ni, expected Lu3Ni2Ge5 to be Lu3Ni2Ge3" +mp-19922,LuNiGe,-5.7903668975,-0.8156618792,0.0,-0.0694634294,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Lu-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Lu-Ni +mp-568851,LuNiGe,-5.6958179096,-0.7211128912,0.0945489879,0.0250855586,GGA,Cmcm,ABC_oC48_63_2cf_2cf_acf:Ge-Lu-Ni,24.0,"Invalid WP multiplicities - ABC_oC48_63_4c2f_4c3f_a2c2f:Ge-Lu-Ni, expected Lu10Ni7Ge8 to be LuNiGe" +mp-1095125,LuNiGe2,-5.5018885488,-0.6151028212,0.0420832425,0.0111403653,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Lu-Ni,8.0,A2BC_oC16_63_2c_c_c:Ge-Lu-Ni +mp-638051,LuNiGe2,-5.5439717912,-0.6571860637,0.0,-0.0309428772,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Lu-Ni,16.0,"Invalid WP multiplicities - A2BC_oI32_71_2e2f4m_ei_m:Ge-Lu-Ni, expected LuNiGe6 to be LuNiGe2" +mp-22228,DyCoSn,-5.7308567775,-0.4892979475,0.0,-0.0117366136,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Dy-Sn,12.0,ABC_oP12_62_c_c_c:Co-Dy-Sn +mp-1213286,Dy6Co2Sn,-5.4269971422,-0.330671755,0.0201650935,0.0201650935,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-Sn +mp-1213577,Dy3(Co2Sn)4,-6.0826480267,-0.3009686733,0.0127052102,0.0127052102,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Dy-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Dy-Sn +mp-1225734,Dy4CoSn8,-4.9630895362,-0.5313941519000001,0.0130121767,0.0130121767,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Dy-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Dy-Sn +mp-20579,DyCoSn2,-5.3087310888,-0.3751690025,0.0671611395,0.0671611395,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Dy-Sn,8.0,ABC2_oC16_63_c_c_2c:Co-Dy-Sn +mp-1105331,Dy12Co5Sn,-5.5466175739,-0.2781396344,0.0,-0.0267388375,GGA,Immm,A5B12C_oI36_71_afg_lmn_b:Co-Dy-Sn,18.0,A5B12C_oI36_71_afg_lmn_b:Co-Dy-Sn +mp-1204269,Dy7Co6Sn23,-4.7585276417,-0.116372994,0.2939590425,0.2756346262,GGA,P-3m1,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Dy-Sn,36.0,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Dy-Sn +mp-1213064,Dy7Co6Sn23,-5.0524866842,-0.4103320365,0.0,-0.0183244163,GGA,P-3m1,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Dy-Sn,36.0,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Dy-Sn +mp-20703,Dy3Co6Sn5,-5.8089378136,-0.3433573446,0.0142522967,0.0142522967,GGA,Immm,A6B3C5_oI28_71_fm_ai_bm:Co-Dy-Sn,14.0,"Invalid WP multiplicities - A6B3C5_oI28_71_f2m_ai_b2m:Co-Dy-Sn, expected Dy3Co10Sn9 to be Dy3Co6Sn5" +mp-1201480,Dy5(CoSn3)6,-5.1057115551,-0.3520517496,0.0235404062,0.0235404062,GGA,I4_1/acd,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Dy-Sn,116.0,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Dy-Sn +mp-1097163,AlReTc2,-5.396674785,3.8311704413,4.1419792337,4.1419792337,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Re-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Re-Tc +mp-1187179,Sm2MgIn,-3.7774090775,-0.330125065,0.0,-0.0198203075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Sm,4.0,ABC2_cF16_225_a_b_c:In-Mg-Sm +mp-21456,SmMgIn,-3.4317513367,-0.4082346983,0.0,-0.0767076671,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Sm,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:In-Mg-Sm, expected Sm3Mg3In5 to be SmMgIn" +mp-1186588,PmHoAl2,-4.5822406650000005,-0.3762149519,0.0095162643,0.0095162643,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ho-Pm,4.0,A2BC_cF16_225_c_a_b:Al-Ho-Pm +mp-865529,Ti2NiIr,-8.24334287,-0.6409541467000001,0.0,-0.0020547085,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Ti +mp-861641,Ti2CoRe,-9.2787521975,-0.4427949442,0.0,-0.04356551,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Re-Ti +mp-1184089,Dy2AgAu,-4.4287067075,-0.5987037867,0.0101395925,0.0101395925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Dy,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Dy +mp-1206044,CrCoBr3,-4.54526904,-0.261178989,0.76309523,0.76309523,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Br-Co-Cr,10.0,A3BC_hP10_194_h_a_c:Br-Co-Cr +mp-1206361,Er2CuAs3,-2.0786671217,2.4566661292,3.4949307625,3.4949307625,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Cu-Er,6.0,A3BC2_tP6_123_ag_b_g:As-Cu-Er +mp-10993,ErCuAs2,-5.2972607288,-0.8009701563,0.0,-0.0445433625,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Er,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Er +mp-756437,SrLaBr5,-4.5303959329,-2.4745899031,0.0435698629,0.0435698629,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:Br-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:Br-La-Sr, expected SrLaBr9 to be SrLaBr5" +mp-756439,SrLaBr5,-4.5207098136,-2.4649037838,0.0532559821,0.0532559821,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:Br-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:Br-La-Sr, expected SrLaBr9 to be SrLaBr5" +mp-771955,Sr3LaBr9,-4.3676426937,-2.5228932756,0.0150685263,0.0150685263,GGA,Pc,A9BC3_mP52_7_18a_2a_6a:Br-La-Sr,52.0,"Invalid WP multiplicities - A9BC3_mP52_7_34a_4a_12a:Br-La-Sr, expected Sr6La2Br17 to be Sr3LaBr9" +mp-851109,Sr9La5Br33,-4.4256292477,-2.4865779393,0.0425361445,0.0425361445,GGA,P-1,A33B5C9_aP94_2_33i_5i_9i:Br-La-Sr,94.0,"Invalid WP multiplicities - A33B5C9_aP94_2_65i_9i_17i:Br-La-Sr, expected Sr17La9Br65 to be Sr9La5Br33" +mp-861499,Pr2CuIr,-6.0090595925,-0.3841965025,0.0619900994,0.0619900994,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Pr,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Pr +mp-1187726,ThInRu2,-7.4871193975,-0.3085326325,0.0065798188,0.0065798188,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ru-Th,4.0,AB2C_cF16_225_a_c_b:In-Ru-Th +mp-864927,Hf2ReOs,-11.4209413775,-0.5243732087,0.0192207551,0.0192207551,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Os-Re,4.0,A2BC_cF16_225_c_a_b:Hf-Os-Re +mp-1207702,TmSbRh,-6.3670067608,-1.0439585831,0.0,-0.1343373787,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Sb-Tm,12.0,ABC_oP12_62_c_c_c:Rh-Sb-Tm +mp-1187603,TmSbRh2,-6.590020005,-0.7566569042,0.0696799237,0.0696799237,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sb-Tm,4.0,A2BC_cF16_225_c_a_b:Rh-Sb-Tm +mp-583030,MnSnPt,-6.4978757,-0.0836355443,0.297874624,0.297874624,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Pt-Sn,3.0,ABC_cF12_216_c_a_b:Mn-Pt-Sn +mp-21418,MnSnPt,-6.74779434,-0.3335541843,0.047955984,0.047955984,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Pt-Sn,3.0,ABC_cF12_216_a_c_b:Mn-Pt-Sn +mp-1093611,Li2CdRh,-1.6113102125,1.4149506283,1.6349016612,1.6349016612,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Li-Rh,4.0,AB2C_oI8_71_a_e_b:Cd-Li-Rh +mp-867115,LiCd2Rh,-3.0463417475,-0.2665891833,0.0,-0.1116828783,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Rh +mp-8606,BaSbPt,-4.9800719333,-0.9403687667,0.0,-0.0991650636,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Pt-Sb,3.0,ABC_hP3_187_b_c_e:Ba-Pt-Sb +mp-862934,Li2PmTl,-2.9906402525,-0.2578824519,0.0,-0.0368944825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pm-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Pm-Tl +mp-862928,LiPmTl2,-3.1856554125,-0.3394675419,0.0,-0.05613541,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Pm-Tl +mp-861874,LiHoHg2,-2.2120616775,-0.4373885608,0.0,-0.0074703775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Li,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Li +mp-1200898,Sm3Sn13Ir4,-5.5745200792,-0.4928236172,0.0,-0.0429798538,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ir-Sm-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Ir-Sm-Sn +mp-1206857,SmSnIr,-6.6674289022,-0.8118981789,0.0,-0.2762653813,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-Sm-Sn,9.0,ABC_hP9_189_ad_f_g:Ir-Sm-Sn +mp-1096687,NaPbAu2,-2.0374047575,0.8583293334000001,1.1455136612,1.1455136612,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Na-Pb,4.0,A2BC_oI8_71_e_a_b:Au-Na-Pb +mp-1206620,Pr2CdSb3,-2.0058904117,1.80606042,2.7105451542,2.7105451542,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cd-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cd-Pr-Sb +mp-1219919,Pr2CdSb4,-4.6756552443,-0.8184114971,0.0,-0.0137116425,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Cd-Pr-Sb,7.0,AB2C4_tP7_115_c_g_abg:Cd-Pr-Sb +mp-862941,PmMgRh2,-5.86312883,-0.5932693019,0.0,-0.2383293646,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Mg-Pm-Rh +mp-1219894,Pr2InAg,-4.1540336575,-0.3675208467,0.0,-0.001586055,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-In-Pr,4.0,ABC2_tP4_123_a_b_h:Ag-In-Pr +mp-978100,Pr2InAg,-4.146800715,-0.3602879042,0.0072329425,0.0056468875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Pr,4.0,ABC2_cF16_225_a_b_c:Ag-In-Pr +mp-570683,PrInAg2,-3.661217685,-0.3617923121,0.0,-0.0270028502,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Pr,4.0,A2BC_cF16_225_c_a_b:Ag-In-Pr +mp-1097674,MgAsPd2,-2.780348355,1.3744421638,1.9193972781,1.9193972781,GGA,Immm,ABC2_oI8_71_a_b_e:As-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:As-Mg-Pd +mp-1097369,Ta2ZnRe,-5.186322185,4.1686343288,4.3316038836,4.3316038836,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Ta-Zn,4.0,AB2C_oI8_71_a_e_b:Re-Ta-Zn +mp-1211408,Lu(Al5Re)2,-5.4845686368,-0.3410483914,0.0,-0.0131806455,GGA,Cmcm,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Lu-Re,78.0,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Lu-Re +mp-1219174,Sm(ZnGa)2,-3.14461207,-0.48575899,0.0,-0.0351326872,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ga-Sm-Zn,5.0,A2BC2_tI10_139_e_a_d:Ga-Sm-Zn +mp-1019257,SmZnGa,-3.5650332933,-0.5628913708000001,0.0,-0.0313951483,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Sm-Zn,6.0,ABC_hP6_194_c_a_d:Ga-Sm-Zn +mp-978808,Sm2ZnGa,-3.8955026325,-0.4642496569,0.0027107738,0.0027107738,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Sm-Zn +mp-1096439,LiZn2Ru,-1.6448771025000002,1.7808260542,1.9406728983,1.9406728983,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Ru-Zn,4.0,ABC2_oI8_71_a_b_e:Li-Ru-Zn +mp-1096318,LiScZn2,-1.1984283325,1.4917914654,1.7919144475,1.7919144475,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Sc-Zn,4.0,ABC2_oI8_71_a_b_e:Li-Sc-Zn +mp-1093683,ZnInPd2,-2.42464294,1.1681548,1.7040191375,1.7040191375,GGA,Immm,AB2C_oI8_71_a_e_b:In-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:In-Pd-Zn +mp-1187916,ZnInPd2,-4.10779789,-0.51500015,0.0208641875,0.0208641875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:In-Pd-Zn +mp-16190,Lu4Zn5Ge6,-3.970193106,-0.495480622,0.0,-0.0275544843,GGA,Cmc2_1,A6B4C5_oC60_36_6a_4a_5a:Ge-Lu-Zn,30.0,"Invalid WP multiplicities - A6B4C5_oC60_36_8a_4a_5a:Ge-Lu-Zn, expected Lu4Zn5Ge8 to be Lu4Zn5Ge6" +mp-1224705,Ho9Al5Se21,-5.570145103,-1.7591822455,0.0318888114,0.0318888114,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Ho-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Ho-Se, expected Ho24Al5Se51 to be Ho9Al5Se21" +mp-861912,TaTiTc2,-10.65227785,-0.5336409658,0.0,-0.0365151525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ta-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Ta-Tc-Ti +mp-865883,GdMgZn2,-4.88277556,-0.3338031825,0.0,-0.0343698995,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Gd-Mg-Zn +mp-864674,Ho2AlZn,-3.92385269,-0.381318395,0.0009447766,0.0009447766,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Ho-Zn +mp-1225517,DySiAg,-4.7632883767,-0.4750680856,0.0989424689,0.0533871194,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Dy-Si,3.0,ABC_hP3_187_a_d_e:Ag-Dy-Si +mp-1095130,DySiAg,-4.8622308456,-0.5740105544,0.0,-0.0455553494,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Dy-Si,9.0,ABC_hP9_189_f_g_bc:Ag-Dy-Si +mp-1206850,Dy(SiAg)2,-4.58287287,-0.3583658887,0.0,-0.013959556,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Dy-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Dy-Si +mp-867871,SmMgZn2,-2.5603452075,-0.3507568563,0.0,-0.0606920567,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Sm-Zn +mp-571469,Sm3Mg13Zn30,-1.8076195802,-0.2260607247,0.0,-0.0233732871,GGA,P6_3/mmc,A13B3C30_hP92_194_c2k_h_afhi2jk:Mg-Sm-Zn,92.0,"Invalid WP multiplicities - A13B3C30_hP92_194_2c15k_h_2a3f5h11i21j11k:Mg-Sm-Zn, expected Sm3Mg92Zn281 to be Sm3Mg13Zn30" +mp-631578,BeSbAs2,-3.66751732,0.6291454088,0.6366271125,0.6366271125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:As-Be-Sb,4.0,A2BC_cF16_225_c_a_b:As-Be-Sb +mp-972323,TaNbTc2,-11.084720645,-0.414630505,0.0,-0.10102301,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Ta-Tc,4.0,ABC2_cF16_225_a_b_c:Nb-Ta-Tc +mp-1093759,Ta2NbTc,-6.5505538,4.4938210112,4.742663525,4.742663525,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Nb-Ta-Tc +mp-1096435,SnHgPb2,-1.8308090875,1.1038275025,1.1038275025,1.1038275025,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Pb-Sn,4.0,AB2C_oI8_71_a_e_b:Hg-Pb-Sn +mp-1217147,Tl(CoSb3)16,-5.1538185697,-0.3186218407,0.0080097261,0.0080097261,GGA,C2/m,A16B48C_mC130_12_ef3j_8i8j_a:Co-Sb-Tl,65.0,"Invalid WP multiplicities - A16B48C_mC130_12_2e2f10j_14i27j_a:Co-Sb-Tl, expected Tl(Co6Sb17)8 to be Tl(CoSb3)16" +mp-978505,SmLuRu2,-7.24941884,-0.3023334062,0.0664999707,0.0664999707,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Sm,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Sm +mp-1093973,Ba2PdPt,-3.1013989575,0.670842295,1.31713711,1.31713711,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:Ba-Pd-Pt +mp-1184614,Ho2HgOs,-5.4564557275,-0.2824893438,0.1140022294,0.1140022294,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Hg-Ho-Os +mp-861652,LiLuPt2,-5.6177126075,-0.9746776008,0.0119687687,0.0119687687,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Lu-Pt,4.0,ABC2_cF16_225_a_b_c:Li-Lu-Pt +mp-1185372,LiLu2Pt,-4.998858295,-0.7433689883,0.0192634173,0.0192634173,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Lu-Pt,4.0,AB2C_cF16_225_a_c_b:Li-Lu-Pt +mp-28219,TlCdBr3,-2.8421225505,-1.2531989712,0.0005835985,0.0005835985,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cd-Tl,20.0,A3BC_oP20_62_3c_c_c:Br-Cd-Tl +mp-862379,Sc2TcAg,-6.70805694,-0.2435236504,0.0143707953,0.0143707953,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Ag-Sc-Tc +mp-1096277,CdPd2Pb,-2.5247083625,1.22411675,1.5597780989,1.5597780989,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Pb-Pd +mp-1200815,Sc13Os3Br16,-6.0479065298,-1.6462610944,0.0,-0.1014476776,GGA,Pnnm,A16B3C13_oP64_58_4g2h_ae_c2g2h:Br-Os-Sc,64.0,A16B3C13_oP64_58_4g2h_ae_c2g2h:Br-Os-Sc +mp-977462,ZrCdAu2,-4.4588142275,-0.45422563,0.0,-0.0229605875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Zr,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Zr +mp-1097513,LiGa2Co,-2.207172705,1.5611854717,1.8627956925,1.8627956925,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Ga-Li,4.0,AB2C_oI8_71_a_e_b:Co-Ga-Li +mp-1185316,LiGa2Co,-4.0653633575,-0.2970051808,0.00460504,0.00460504,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ga-Li,4.0,AB2C_cF16_225_a_c_b:Co-Ga-Li +mp-861969,LiTmTl2,-3.075291375,-0.2977802292,0.0,-0.0438723775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Li-Tl-Tm +mp-975786,Li2TmTl,-2.8648494075,-0.2007683317,0.01606408,0.01606408,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Tl-Tm,4.0,A2BC_cF16_225_c_a_b:Li-Tl-Tm +mp-1185917,MgPaAu2,-4.85726633,-0.4415891525,0.0,-0.0090161192,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Pa,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Pa +mp-11480,MnSnIr,-7.0514746967,0.285199079,0.5116195456,0.5116195456,GGA,F-43m,ABC_cF12_216_a_b_c:Ir-Mn-Sn,3.0,ABC_cF12_216_a_b_c:Ir-Mn-Sn +mp-31084,ZrGe2Rh,-7.0070088454,-0.7174927929,0.0,-0.007330546,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Rh-Zr,48.0,"Invalid WP multiplicities - A2BC_oP48_55_6g7h5i_3e4i_3g3i:Ge-Rh-Zr, expected Zr9Ge23Rh11 to be ZrGe2Rh" +mp-1097604,ZrGeRh2,-4.88251012,2.0923259362,2.8737961767,2.8737961767,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Ge-Rh-Zr +mp-1101959,ZrGeRh,-7.7772963067,-0.9322841883,0.0,-0.1713460526,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Zr +mp-1097151,Li2HgBi,-1.3452877425,0.6452160646,1.0386147525,1.0313170525,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Li,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Li +mp-1184970,Li2HgBi,-2.383902495,-0.3933986879,0.0,-0.0072977,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Hg-Li,4.0,ABC2_cF16_225_a_b_c:Bi-Hg-Li +mp-861933,LiTmHg2,-2.17307911,-0.425049355,0.002819375,0.002819375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Tm +mp-3076,LaSnPt,-6.0609217483,-1.0553509883,0.0229801894,-0.1694288905,GGA,Pnma,ABC_oP12_62_c_c_c:La-Pt-Sn,12.0,ABC_oP12_62_c_c_c:La-Pt-Sn +mp-13250,LaSnPt,-6.0839019378,-1.0783311778,0.0,-0.1924090799,GGA,P-62m,ABC_hP9_189_f_ad_g:La-Pt-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:La-Pt-Sn, expected La3Sn3Pt5 to be LaSnPt" +mp-866007,DyMgTl2,-2.9392726925,-0.2061843967,0.0389830769,0.0389830769,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Mg-Tl +mp-1206809,DyMgTl,-3.1791695056,-0.3225994933,0.0,-0.0929404807,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-Mg-Tl,9.0,ABC_hP9_189_f_g_ad:Dy-Mg-Tl +mp-867349,Dy2MgTl,-3.5242607125000003,-0.2301364933,0.0118131267,0.0118131267,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Dy-Mg-Tl +mp-978513,SmErMg2,-3.206323965,-0.0846077038,0.0,-0.0013253725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Sm +mp-1184347,EuMgTl2,-4.46035341,-0.3147113742,0.0,-0.0565076756,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Eu-Mg-Tl +mp-1183884,Eu2MgTl,-6.3963443375,-0.2771126383,0.0,-0.0372171737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-Mg-Tl +mp-1212743,EuMgTl,-5.0458806633,-0.3059056644,0.0,-0.0400161582,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Mg-Tl,12.0,ABC_oP12_62_c_c_c:Eu-Mg-Tl +mp-1096529,LaMg2Sc,-1.3215226875,2.29573639,2.38954493,2.38954493,GGA,Immm,AB2C_oI8_71_a_e_b:La-Mg-Sc,4.0,AB2C_oI8_71_a_e_b:La-Mg-Sc +mp-1227944,BaInGe,-3.5614086867,-0.4635131783,0.0425753423,0.0425753423,GGA,P3m1,ABC_hP3_156_a_b_c:Ba-Ge-In,3.0,ABC_hP3_156_a_b_c:Ba-Ge-In +mp-862993,ErMgSn,-3.9340452133,-0.5415216417000001,0.0,-0.0683034838,GGA,I4/mmm,ABC_tI12_139_e_c_e:Er-Mg-Sn,6.0,ABC_tI12_139_e_c_e:Er-Mg-Sn +mp-1184083,Er2ZnAg,-3.6459395675,-0.3390052592,0.011313475,0.011313475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Zn +mp-1102117,YbAlPt,-4.8447887858000005,-1.0593496425,0.0,-0.1104633782,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pt-Yb,,ABC_oP12_62_c_c_c:Al-Pt-Yb +mp-1207592,Yb4(Al8Pt3)3,-4.9183467108,-0.8455777130000001,0.0,-0.0914359634,GGA,P-1,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Yb,,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Yb +mp-1216925,TmTiFe11,-8.2039536015,-0.0853720054,0.0151709895,0.0151709895,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Ti-Tm,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Ti-Tm +mp-866204,Pm2SiHg,-4.277830895,-0.470310135,0.0,-0.1901645037,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Hg-Pm-Si +mp-1080287,Ce2Sb2Se5,-5.4341135217,-1.2559203907,0.122224917,0.122224917,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:Ce-Sb-Se,36.0,A2B2C5_mP36_14_2e_2e_5e:Ce-Sb-Se +mp-1080286,Ce2Sb2Se5,-5.3956299928,-1.2174368619,0.1607084459,0.1607084459,GGA,Pnma,A2B2C5_oP36_62_2c_2c_5c:Ce-Sb-Se,36.0,A2B2C5_oP36_62_2c_2c_5c:Ce-Sb-Se +mp-1103153,CeSbSe,-6.1024614492,-1.5831274916,0.0,-0.1049561893,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Sb-Se,12.0,ABC_oP12_62_c_c_c:Ce-Sb-Se +mp-1080285,Ce(SbSe2)2,-4.8172089379,-0.7922464313,0.2861146352,0.2861146352,GGA,C2/m,AB2C4_mC28_12_i_2i_2ij:Ce-Sb-Se,14.0,AB2C4_mC28_12_i_2i_2ij:Ce-Sb-Se +mp-977593,Tm2CuTc,-6.0092761125,-0.1563969971,0.083398171,0.083398171,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Tc-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Tc-Tm +mp-1093575,MnCuAu2,-3.4584272,1.4938192905,1.5768136125,1.5768136125,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Mn,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Mn +mp-1184842,HoThOs2,-8.8010808975,-0.1883304025,0.1379229524,0.1379229524,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Os-Th,4.0,AB2C_cF16_225_a_c_b:Ho-Os-Th +mp-1097224,Cd2InBi,-1.1399160025,0.9695720925,0.9825407488,0.9825407488,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Cd-In,4.0,AB2C_oI8_71_a_e_b:Bi-Cd-In +mp-1097339,CdIn2Bi,-1.7370571225,0.829629465,0.8425981212,0.8425981212,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cd-In,4.0,ABC2_oI8_71_a_b_e:Bi-Cd-In +mp-977367,CdInRh2,-4.89720115,-0.2964038425,0.0,-0.0894905725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-In-Rh +mp-1225350,Dy3TmMn8,-7.59363379,0.0390594,0.0540729927,0.0540729927,GGA,R3m,A3B8C_hR36_160_3a_2a2b_a:Dy-Mn-Tm,,"Invalid WP multiplicities - A3B8C_hR36_160_3a_2a6b_a:Dy-Mn-Tm, expected Dy3TmMn20 to be Dy3TmMn8" +mp-1225689,DyTmMn4,-7.5361914467,0.0855891253,0.1035264426,0.1035264426,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Dy-Mn-Tm,12.0,AB4C_hP12_164_d_abi_d:Dy-Mn-Tm +mp-1225536,DyTmMn4,-7.51972241,0.1020581619,0.1199954793,0.1199954793,GGA,F-43m,AB4C_cF24_216_a_e_c:Dy-Mn-Tm,6.0,AB4C_cF24_216_a_e_c:Dy-Mn-Tm +mp-1185089,LaPrTl2,-4.0206196675,-0.4100698792,0.0,-0.001936205,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:La-Pr-Tl +mp-1184262,ErTmCu2,-4.5900161425,-0.2795242492,0.00383653,0.00383653,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Er-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Er-Tm +mp-1199600,Lu6Te2Au,-4.848130565,-0.7718864643000001,0.0579363554,0.0579363554,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Au-Lu-Te,36.0,AB6C2_oP36_62_c_6c_2c:Au-Lu-Te +mp-1105499,Lu5(TeAu)2,-4.9067052339,-0.969024302,0.06415353,0.06415353,GGA,Cmce,A2B5C2_oC36_64_f_ag_d:Au-Lu-Te,18.0,A2B5C2_oC36_64_f_ag_d:Au-Lu-Te +mp-973276,HoLuCd2,-3.0431406675,-0.30585594,0.0054094275,0.0054094275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Cd-Ho-Lu +mp-863666,Er2RuRh,-7.1334242625,-0.689887255,0.0,-0.0289344203,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Rh-Ru +mp-1184076,DyTaOs2,-9.93599487,-0.2061700375,0.1039287372,0.1039287372,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Dy-Os-Ta +mp-1184071,DyTa3,-9.64934716,0.3956827725,0.3956827725,0.3956827725,GGA,Fm-3m,AB3_cF16_225_a_bc:Dy-Ta,4.0,AB3_cF16_225_a_bc:Dy-Ta +mp-865232,TlPd2Au,-4.169512595,-0.1704404033,0.0004437732,0.0004437732,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pd-Tl,4.0,AB2C_cF16_225_a_c_b:Au-Pd-Tl +mp-1097158,Fe2CoIr,-4.947202505,3.2744960938,3.3396177433,3.3396177433,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Fe-Ir,4.0,AB2C_oI8_71_a_e_b:Co-Fe-Ir +mp-667295,Cs7Cd3Br13,-3.0833671785,-1.8126778665,0.0017327055,0.0017327055,GGA,I4/mcm,A13B3C7_tI92_140_a2kl_ch_bhj:Br-Cd-Cs,46.0,"Invalid WP multiplicities - A13B3C7_tI92_140_a9k5l_2c2h_2b4h5j:Br-Cd-Cs, expected Cs10Cd2Br19 to be Cs7Cd3Br13" +mp-541899,CsCdBr3,-2.941244357,-1.6457689326,0.0,-0.0060315457,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Br-Cd-Cs,10.0,A3BC_hP10_194_h_a_c:Br-Cd-Cs +mp-570231,CsCdBr3,-2.90856913,-1.6130937056,0.032675227,0.0266436813,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Br-Cd-Cs,5.0,A3BC_cP5_221_c_b_a:Br-Cd-Cs +mp-1188465,Cs3CdBr5,-3.1196698033,-1.8558655226,9.13764e-05,9.13764e-05,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Br-Cd-Cs,18.0,A5BC3_tI36_140_cl_b_ah:Br-Cd-Cs +mp-1182453,Cs2CdBr4,-3.0614043696,-1.7862889662,0.0014132529,-0.0034162664,GGA,P2_1/c,A4BC2_mP28_14_4e_e_2e:Br-Cd-Cs,28.0,A4BC2_mP28_14_4e_e_2e:Br-Cd-Cs +mp-1192554,Cs2CdBr4,-3.0628176225,-1.7877022191,0.0,-0.0048295193,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Br-Cd-Cs,28.0,A4BC2_oP28_62_2cd_c_2c:Br-Cd-Cs +mp-1186433,Pm2AgHg,-3.5394968625,-0.3801666092,0.0,-0.1602187794,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Pm +mp-862874,PmAgHg2,-2.4116605475,-0.3640457835,0.0,-0.0495426508,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Pm +mp-1226639,CeDyFe4,-7.4694550417,-0.0661282358,0.0140891633,0.0140891633,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-Dy-Fe,6.0,ABC4_cF24_216_a_c_e:Ce-Dy-Fe +mp-21297,LiSn4Ru,-4.7932674108,-0.2563319397,0.0,-0.0309184408,GGA,I4/mcm,ABC4_tI24_140_c_a_l:Li-Ru-Sn,12.0,ABC4_tI24_140_c_a_l:Li-Ru-Sn +mp-863686,Pm2HgGe,-4.1795925775,-0.5726443613000001,0.0,-0.2108062965,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Hg-Pm,4.0,ABC2_cF16_225_a_b_c:Ge-Hg-Pm +mp-1103228,BiIrSe,-5.8161803842,-0.4245687883,0.0,-0.0316506953,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Ir-Se,12.0,ABC_cP12_198_a_a_a:Bi-Ir-Se +mp-14791,Ge2Te5As2,-4.0790565178,-0.270076297,0.0,-0.0381719267,GGA,P-3m1,A2B2C5_hP9_164_c_d_a2d:As-Ge-Te,9.0,"Invalid WP multiplicities - A2B2C5_hP9_164_c_d_a3d:As-Ge-Te, expected Ge2Te7As2 to be Ge2Te5As2" +mp-568730,Ge4Te7As2,-4.1132755123,-0.281468629,0.0031383177,0.0031383177,GGA,R-3m,A2B4C7_hR39_166_c_2c_a3c:As-Ge-Te,13.0,"Invalid WP multiplicities - A2B4C7_hR39_166_c_3c_a4c:As-Ge-Te, expected Ge6Te9As2 to be Ge4Te7As2" +mp-675637,Ge5(Te4As)2,-4.0681038593,-0.2294489772,0.0576396293,0.0576396293,GGA,C2/m,A2B5C8_mC30_12_i_b2i_ac3i:As-Ge-Te,15.0,"Invalid WP multiplicities - A2B5C8_mC30_12_i_b4i_ac6i:As-Ge-Te, expected Ge9(Te7As)2 to be Ge5(Te4As)2" +mp-28487,Ge5(Te4As)2,-4.1119262267,-0.2732713446,0.013817262,0.013817262,GGA,P-3m1,A2B5C8_hP15_164_c_a2d_c3d:As-Ge-Te,15.0,"Invalid WP multiplicities - A2B5C8_hP15_164_c_a4d_c5d:As-Ge-Te, expected Ge9(Te6As)2 to be Ge5(Te4As)2" +mp-8645,GeTe7As4,-3.78846762,-0.016580726,0.0940122567,0.0940122567,GGA,P-3m1,A4BC7_hP12_164_2d_a_bc2d:As-Ge-Te,12.0,A4BC7_hP12_164_2d_a_bc2d:As-Ge-Te +mp-14790,Ge(Te2As)2,-3.8248218057,-0.0370377717,0.1419052029,0.1419052029,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Ge-Te,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_4c:As-Ge-Te, expected Ge(Te4As)2 to be Ge(Te2As)2" +mp-541312,Ge3(Te3As)2,-4.1036915682,-0.281222865,0.0,-0.0044147355,GGA,R-3m,A2B3C6_hR33_166_c_ac_3c:As-Ge-Te,11.0,A2B3C6_hR33_166_c_ac_3c:As-Ge-Te +mp-1225600,ErGePd,-5.6983814333,-0.9081719417,0.0755399467,-0.0137582017,GGA,C2/m,ABC_mC12_12_i_i_i:Er-Ge-Pd,6.0,ABC_mC12_12_i_i_i:Er-Ge-Pd +mp-1106394,ErGePd,-5.77392138,-0.9837118883,0.0,-0.0892981483,GGA,Imm2,ABC_oI36_44_ab2c_3c_3c:Er-Ge-Pd,18.0,ABC_oI36_44_ab2c_3c_3c:Er-Ge-Pd +mp-1205887,Er2Ge6Pd,-5.1597713822,-0.4871617644,0.0399188576,0.0399188576,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Pd,9.0,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Pd +mp-20819,ErGePd2,-5.80289931,-0.9152717387,0.0,-0.0318432692,GGA,Pnma,ABC2_oP16_62_c_c_d:Er-Ge-Pd,16.0,ABC2_oP16_62_c_c_d:Er-Ge-Pd +mp-11201,Sc6FeSb2,-6.7037562178,-0.6234408489000001,0.0,-0.0132566578,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sb-Sc,9.0,AB2C6_hP9_189_a_d_fg:Fe-Sb-Sc +mp-866132,Na2TlSb,-2.6476563075,-0.3634825641,0.0,-0.0206396038,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Na-Sb-Tl,4.0,A2BC_cF16_225_c_a_b:Na-Sb-Tl +mp-977204,NaTl2Sb,-2.7381192575,-0.1939160508,0.0203971864,0.0203971864,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Sb-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Sb-Tl +mp-542387,Na6TlSb4,-2.7976481498,-0.36002998,0.0491347512,0.0491347512,GGA,C2/c,A6B4C_mC88_15_6f_4f_f:Na-Sb-Tl,44.0,A6B4C_mC88_15_6f_4f_f:Na-Sb-Tl +mp-866075,MgTaIr2,-8.339185855,-0.555454345,0.0,-0.007323821,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Ta,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Ta +mp-16496,Al(CuRe)2,-6.985881165,0.380727543,0.5384667390000001,0.5384667390000001,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Al-Cu-Re,10.0,AB2C2_tP10_127_a_g_h:Al-Cu-Re +mp-861991,PaMn2Al,-8.0576235825,-0.161555814,0.0,-0.025412942,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-Pa,4.0,AB2C_cF16_225_a_c_b:Al-Mn-Pa +mp-1183842,DyErZn2,-3.2736961375,-0.35019792,0.00027555,0.00027555,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Er-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Er-Zn +mp-1184624,Ho2MgCd,-3.1093426775,-0.18734579,0.0085766775,0.0085766775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ho-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Ho-Mg +mp-1184816,HoMgCd2,-2.3028027475,-0.2956856375,0.0,-0.0620919166,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ho-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Ho-Mg +mp-1217067,Ti2ReOs,-10.4327386025,-0.5670189404,0.0,-0.0145192175,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Os-Re-Ti,4.0,ABC2_tP4_123_a_b_h:Os-Re-Ti +mp-865533,Ti2ReOs,-10.4282803075,-0.5625606454000001,0.004458295,-0.0100609225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Os-Re-Ti +mp-1027993,Mg14ZrZn,-2.0022527763,0.0109575325,0.0679038483,0.0679038483,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Zn-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Zn-Zr, expected Mg18ZrZn to be Mg14ZrZn" +mp-1027966,Mg14ZrZn,-2.0038470775,0.0093632313,0.066309547,0.066309547,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Zn-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Zn-Zr, expected Mg26ZrZn to be Mg14ZrZn" +mp-1022625,Mg6ZrZn,-2.3935659656,0.0325746019,0.1224129076,0.1224129076,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Zn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Zn-Zr, expected Mg12ZrZn to be Mg6ZrZn" +mp-1022630,Mg6ZrZn,-2.3986848188,0.0274557488,0.1172940544,0.1172940544,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Zn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Zn-Zr, expected Mg12ZrZn to be Mg6ZrZn" +mp-1093798,MgZrZn2,-1.2361279075,1.9307390675,2.1640716109,2.1640716109,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Mg-Zn-Zr +mp-1185622,MgZrZn2,-3.3732822225,-0.2064152475,0.0269172959,0.0269172959,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Zn-Zr,4.0,AB2C_cF16_225_a_c_b:Mg-Zn-Zr +mp-631455,HfSi2Br,-5.15187473,0.438338625,1.3200227494,1.3200227494,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Br-Hf-Si,4.0,ABC2_cF16_225_a_b_c:Br-Hf-Si +mp-1187409,Th2CuTc,-7.4008970125,-0.0790064837,0.0491527075,0.0491527075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Tc-Th,4.0,ABC2_cF16_225_a_b_c:Cu-Tc-Th +mp-631482,BiMoRh,-6.8260508333,0.5240982033,0.7002014387000001,0.7002014387000001,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Mo-Rh,3.0,ABC_cF12_216_a_c_b:Bi-Mo-Rh +mp-1186698,PmPrIn2,-4.239803805,-0.4810999206,0.0,-0.0840885488,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Pm-Pr,4.0,A2BC_cF16_225_c_a_b:In-Pm-Pr +mp-1183853,CeEuAg2,-5.5771932775,-0.1133925371,0.12174795,0.12174795,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ce-Eu,4.0,A2BC_cF16_225_c_a_b:Ag-Ce-Eu +mp-867241,Ac2GePd,-5.17652197,-0.66520705,0.0,-0.3898109953,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ge-Pd,4.0,A2BC_cF16_225_c_a_b:Ac-Ge-Pd +mp-1184158,DyTmRh2,-6.8746446575,-0.9218351567,0.01080523,0.01080523,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Tm +mp-1225317,DyAgSn,-4.1152691133,-0.2989642139,0.2944955833,0.2131577575,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Dy-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Dy-Sn +mp-21198,DyAgSn,-4.4097646967,-0.5934597972,0.0,-0.0813378258,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Dy-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Dy-Sn +mp-22808,Dy3(AgSn)4,-4.2262793218,-0.481836417,0.0090053658,0.0090053658,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Dy-Sn,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_2eh:Ag-Dy-Sn, expected Dy3(Ag2Sn3)2 to be Dy3(AgSn)4" +mp-1225262,DyAgSn2,-4.3059023875,-0.4412807492,0.0160127302,0.0160127302,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ag-Dy-Sn,4.0,ABC2_tP4_123_a_c_e:Ag-Dy-Sn +mp-974810,Rb3Ru,-1.9415622,1.1124389894,1.1124389894,1.1124389894,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Ru,4.0,A3B_cF16_225_ac_b:Rb-Ru +mp-1206129,Rb(AsRu)2,-6.164336976,-0.3948217835,0.0,-0.1064607232,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Rb-Ru,5.0,A2BC2_tI10_139_e_a_d:As-Rb-Ru +mp-28167,Th6CoBr15,-5.4062084023,-2.0022587548,0.0,-0.0568081801,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Br-Co-Th,22.0,A15BC6_cI44_229_bh_a_e:Br-Co-Th +mp-1018697,EuCdSn,-5.6231530167,-0.559998545,0.0,-0.0787838656,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cd-Eu-Sn,6.0,ABC_hP6_186_b_a_b:Cd-Eu-Sn +mp-1183888,Eu2CdSn,-6.935679795,-0.5740634913,0.0,-0.0305069875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Sn,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Sn +mp-1096572,Sc2IrPt,-5.2404295825,1.653196845,2.796121285,2.796121285,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Ir-Pt-Sc +mp-973964,Lu2GaAg,-4.19926801,-0.4736297435,0.0,-0.0070907266,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Lu +mp-1222321,LuGaAg,-3.915071555,-0.4545373731,0.0088042027,0.0088042027,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ga-Lu,6.0,ABC_mC12_12_i_i_i:Ag-Ga-Lu +mp-1093672,Ba2CdIn,-0.7962218125,1.08190903,1.4558629788,1.4558629788,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-In,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-In +mp-1183281,Ba2CdIn,-2.250236995,-0.3721061525,0.0018477963,0.0018477963,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-In,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-In +mp-864644,AcCdHg2,-1.82594616,-0.4130897856,0.0,-0.0453012425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Cd-Hg,4.0,ABC2_cF16_225_a_b_c:Ac-Cd-Hg +mp-1183086,Ac2CdHg,-2.7311688825,-0.3639388475,0.0,-0.1122747892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cd-Hg,4.0,A2BC_cF16_225_c_a_b:Ac-Cd-Hg +mp-972542,SmTlAu2,-3.9745788425,-0.5673305221,0.0,-0.013362174,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sm-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Sm-Tl +mp-1193520,Sr(ErSe2)2,-5.7578896182,-2.2138071919,0.0,-0.015863365,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Er-Se-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Er-Se-Sr +mp-1187113,Sr3Er,-2.1842008113,0.2248489812,0.2248489812,0.2248489812,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Sr,8.0,AB3_hP8_194_c_h:Er-Sr +mp-1223950,HoGaAg,-3.9587512233,-0.4777309247,0.0061315138,0.0061315138,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ga-Ho,6.0,ABC_mC12_12_i_i_i:Ag-Ga-Ho +mp-1184662,Ho2GaAg,-4.2251162175,-0.468748776,0.0156966262,0.0156966262,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Ho,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Ho +mp-1104230,Ho3Ga8Ag3,-3.76590347,-0.4466418414,0.0,-0.0080262621,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Ho,14.0,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Ho +mp-1225546,ErGaAg,-3.95122603,-0.4751024181,0.0030892239,0.0030892239,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Er-Ga,6.0,ABC_mC12_12_i_i_i:Ag-Er-Ga +mp-1104172,Er3Ga8Ag3,-3.7511657979,-0.4350520393,0.0,-0.0034286336,GGA,Immm,A3B3C8_oI28_71_bf_ag_2n:Ag-Er-Ga,14.0,A3B3C8_oI28_71_bf_ag_2n:Ag-Er-Ga +mp-1232144,Gd2MgSe4,-8.1524429486,-1.9044185999,0.0758411454,0.0758411454,GGA,I-42d,A2BC4_tI28_122_d_a_e:Gd-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Gd-Mg-Se +mp-1201825,Pr3Sn13Ir4,-5.60035463,-0.509310225,0.0,-0.0411668049,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ir-Pr-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Ir-Pr-Sn +mp-1200809,Pr5(Sn5Ir2)2,-5.8962863032,-0.6671292482,0.0,-0.0264405132,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Ir-Pr-Sn,38.0,A4B5C10_tP38_127_i_a2h_gij:Ir-Pr-Sn +mp-1205817,PrSnIr,-6.6425456822,-0.7662417522,0.0,-0.0821265088,GGA,P-62m,ABC_hP9_189_ad_f_g:Ir-Pr-Sn,9.0,ABC_hP9_189_ad_f_g:Ir-Pr-Sn +mp-862667,LiAc2Ge,-3.989433875,-0.2958586908,0.0,-0.0845222335,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Ac-Ge-Li +mp-20059,ZrMnGe,-8.0151104675,-0.5708625418000001,0.0,-0.0309886395,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Zr +mp-1198917,ZrMnGe2,-7.2622296817,-0.5232867736,0.0,-0.009346644,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Zr,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Zr +mp-22084,Zr(MnGe)6,-7.3351961292,-0.3153530898,0.0,-0.0695251337,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Zr,13.0,A6B6C_hP13_191_cde_i_a:Ge-Mn-Zr +mp-977586,MgSc2In,-4.546940595,-0.2927150975,0.0,-0.0056569587,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:In-Mg-Sc +mp-1097326,MgScIn2,-1.770739655,1.5882894987,1.8651897867,1.8651897867,GGA,Immm,A2BC_oI8_71_e_a_b:In-Mg-Sc,4.0,A2BC_oI8_71_e_a_b:In-Mg-Sc +mp-1220046,Ni11(GeSe2)2,-5.5011644165,-0.39462294,0.0014960667,0.0014960667,GGA,P4mm,A2B11C4_tP17_99_ab_2ab4c_2a2b:Ge-Ni-Se,17.0,"Invalid WP multiplicities - A2B11C4_tP17_99_ab_2ab8c_2a2b:Ge-Ni-Se, expected Ni19(GeSe2)2 to be Ni11(GeSe2)2" +mp-1220298,Ni17(GeSe)4,-5.59306251,-0.3635392744,0.0,-0.0023870428,GGA,P4mm,A4B17C4_tP25_99_2a2b_2a3b6c_2a2b:Ge-Ni-Se,25.0,"Invalid WP multiplicities - A4B17C4_tP25_99_2a2b_2a3b12c_2a2b:Ge-Ni-Se, expected Ni29(GeSe)4 to be Ni17(GeSe)4" +mp-1220164,NdAlSn,-4.7088906900000005,-0.5344589842,0.0507586489,0.0507586489,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Nd-Sn,3.0,ABC_hP3_187_a_d_e:Al-Nd-Sn +mp-973759,Lu2MgCd,-3.0580448075,-0.166777095,0.00841109,0.00841109,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Lu-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Lu-Mg +mp-865223,LuMgCd2,-2.2512283625,-0.25947584,0.0,-0.0482693462,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Lu-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Lu-Mg +mp-1079853,SrMg2Pd,-2.9798470425,-0.4623632017,0.0,-0.0567844621,GGA,Cmcm,A2BC_oC16_63_f_c_c:Mg-Pd-Sr,8.0,A2BC_oC16_63_f_c_c:Mg-Pd-Sr +mp-1096207,AlFe2Ge,-3.9837178025,2.3434437238,2.5679599967,2.5679599967,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Fe-Ge,4.0,AB2C_oI8_71_a_e_b:Al-Fe-Ge +mp-1183187,AlFe2Ge,-6.538745835,-0.2115843088,0.0129319642,0.0129319642,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Ge,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Ge +mp-978289,Mg3Np,-4.06547812,0.3716768378,0.3716768378,0.3716768378,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Np,4.0,A3B_cF16_225_ac_b:Mg-Np +mp-1185746,Mg16NpAl12,-2.8728851528,0.0063965866,0.0466540328,0.0466540328,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Np,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Np, expected Mg48NpAl12 to be Mg16NpAl12" +mp-1185969,MgNp3,-9.443010815,0.6678939584,0.6678939584,0.6678939584,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Np,4.0,AB3_tI8_139_a_bd:Mg-Np +mp-1185929,MgNp3,-9.4251264075,0.6857783659000001,0.6857783659000001,0.6857783659000001,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Np,4.0,AB3_cP4_221_a_c:Mg-Np +mp-982005,Th(Mg4Al3)4,-2.7389849945,-0.0505281321,0.0282328261,0.0282328261,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Th,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Th, expected ThMg49Al48 to be Th(Mg4Al3)4" +mp-1187472,Th(Mg4Al3)4,-2.7461686224,-0.05771176,0.0210491981,0.0210491981,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Th,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c4g_a:Al-Mg-Th, expected Th(Mg16Al3)4 to be Th(Mg4Al3)4" +mp-20292,Np(SiRh)2,-8.486689898,-0.7812836018,0.0,-0.1569772607,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Np-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Np-Rh-Si +mp-1095999,Hf2OsRu,-6.5986949625,3.505342045,4.274209285,4.274209285,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Os-Ru,4.0,A2BC_oI8_71_e_a_b:Hf-Os-Ru +mp-1184604,Hf2OsRu,-10.87207067,-0.7680336625,0.0008335775,0.0008335775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Os-Ru,4.0,A2BC_cF16_225_c_a_b:Hf-Os-Ru +mp-1210749,Lu7(TeRu)2,-5.8561422964,-0.7214086139,0.045499762,0.045499762,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Lu-Ru-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Lu-Ru-Te +mp-1006278,AcEuAu2,-6.0191299675,-0.7876447656000001,0.0,-0.1475445608,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Eu,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Eu +mp-1211294,La3NbSb5,-6.0865866061,-1.0249941,0.0168203922,0.0168203922,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:La-Nb-Sb,18.0,A3BC5_hP18_193_g_b_dg:La-Nb-Sb +mp-1185117,La3Nb,-5.87322844,0.3541031487,0.3541031487,0.3541031487,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Nb,4.0,A3B_tI8_139_ad_b:La-Nb +mp-1185467,Lu2CoIr,-6.9065641775,-0.6594009237,0.0079346194,0.0079346194,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ir-Lu,4.0,ABC2_cF16_225_a_b_c:Co-Ir-Lu +mp-1185341,LiEu2Cd,-6.003967385,-0.1675133283,0.0104259475,0.0104259475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Li,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Li +mp-4585,Pr6Fe13Au,-7.1634430417,-0.0599634287,0.0207107578,0.0207107578,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Au-Fe-Pr,40.0,"Invalid WP multiplicities - AB13C6_tI80_140_a_d3k4l_2fl:Au-Fe-Pr, expected Pr8Fe29Au to be Pr6Fe13Au" +mp-862431,Sc2AgOs,-7.0585077925,-0.3772923817,0.0,-0.0281778868,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Os-Sc +mp-1213351,CsFeBr4,-4.0205201112,-1.4242639609,0.0,-0.1589385479,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Cs-Fe,24.0,A4BC_oP24_62_2cd_c_c:Br-Cs-Fe +mp-1106332,Cs3FeBr5,-3.815303955,-1.7129295132,0.0062943178,0.0062943178,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Br-Cs-Fe,18.0,A5B3C_tI36_140_cl_ah_b:Br-Cs-Fe +mp-1079847,CsFeBr3,-4.103058309,-1.2981565946,0.120567678,0.120567678,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Fe,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Fe +mp-1097344,CuHgPd2,-2.0139686325,1.6766940313,1.823211565,1.823211565,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Hg-Pd,4.0,ABC2_oI8_71_a_b_e:Cu-Hg-Pd +mp-1103503,GdSnPd,-8.6745796625,-0.9193876942,0.0,-0.1485411781,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Gd-Pd-Sn +mp-1184508,GdSnPd2,-7.951508335,-0.8401439062,0.0,-0.002816596,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Gd-Pd-Sn +mp-1097137,NbInNi2,-3.502569855,2.6007456775,2.8127513235,2.8127513235,GGA,Immm,ABC2_oI8_71_a_b_e:In-Nb-Ni,4.0,ABC2_oI8_71_a_b_e:In-Nb-Ni +mp-1055899,NbInNi,-6.2718963767,-0.06085456,0.0917668619,0.0917668619,GGA,I4mm,ABC_tI6_107_a_a_a:In-Nb-Ni,3.0,ABC_tI6_107_a_a_a:In-Nb-Ni +mp-961731,NbInNi,-5.5520128933,0.6590289233000001,0.8116503452,0.8116503452,GGA,F-43m,ABC_cF12_216_a_c_b:In-Nb-Ni,3.0,ABC_cF12_216_a_c_b:In-Nb-Ni +mp-1080559,In(GaAu)2,-3.316209093,-0.245081138,0.0,-0.0132468065,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_b:Au-Ga-In,10.0,A2B2C_hP10_194_f_f_b:Au-Ga-In +mp-613545,RhSe2Cl7,-3.5815586352,-0.8519698907000001,0.0406891874,0.0406891874,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-Rh-Se,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_26e_e_6e:Cl-Rh-Se, expected Rh(Se3Cl13)2 to be RhSe2Cl7" +mp-1199325,Eu3Sn13Rh4,-6.1621042678,-0.544470718,0.0,-0.0493633548,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Eu-Rh-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Eu-Rh-Sn +mp-1184434,EuSnRh2,-7.730407335,-0.4816099863,0.0164051929,0.0164051929,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Eu-Rh-Sn +mp-1105754,Er3Ge3Ru2,-6.5487067712,-0.7835761369,0.0,-0.0079212472,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Er-Ge-Ru,16.0,A3B3C2_oC32_63_cf_cf_f:Er-Ge-Ru +mp-1188138,Er2Ge5Ru3,-6.631126981,-0.6237485295,0.0,-0.0353897399,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Er-Ge-Ru,20.0,A2B5C3_oI40_72_j_afj_bj:Er-Ge-Ru +mp-1205564,Er2Ge2Ru,-6.33252818,-0.801349006,0.0,-0.003948548,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Er-Ge-Ru,10.0,A2B2C_mC20_12_2i_2i_i:Er-Ge-Ru +mp-1198321,Er3Ge13Ru4,-5.9782589485,-0.4332525133,0.0124563386,0.0124563386,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Er-Ge-Ru,40.0,A3B13C4_cP40_223_c_ak_e:Er-Ge-Ru +mp-19841,ErGeRu,-6.8878810975,-0.7328313625,0.0,-0.0325235654,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Ru,12.0,ABC_oP12_62_c_c_c:Er-Ge-Ru +mp-571296,Er(GeRu)2,-7.108995426,-0.636479506,0.0,-0.0740808805,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-Ge-Ru,5.0,AB2C2_tI10_139_a_e_d:Er-Ge-Ru +mp-1095994,ScSnIr2,-4.6472518325,2.3574754975,3.0223300469,3.0223300469,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Sc-Sn,4.0,A2BC_oI8_71_e_a_b:Ir-Sc-Sn +mp-1210296,Pr23Mg4Rh7,-5.3112147296,-0.3726233279,0.0,-0.0017090832,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Rh,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Rh +mp-1209444,Pr4MgRh,-5.0085061475,-0.3271376575,0.0,-0.0093649083,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Pr-Rh,24.0,AB4C_cF96_216_e_efg_e:Mg-Pr-Rh +mp-16646,PrMgRh,-5.1622786458,-0.5804474208,0.0,-0.0999690655,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Pr-Rh,12.0,ABC_oP12_62_c_c_c:Mg-Pr-Rh +mp-1096001,Li2CdGa,-0.970155695,0.972052184,1.2558351902,1.2558351902,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-Li,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-Li +mp-1220716,Nb2GaCo3,-7.6748803692,-0.2489371212,0.0235156476,0.0235156476,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ga-Nb,12.0,A3BC2_hP12_194_h_a_f:Co-Ga-Nb +mp-4364,NbGaCo2,-7.1596747,-0.3231655369,0.0,-0.0659620081,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Nb,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Nb +mp-28534,CaInBr3,-3.759740196,-1.876466476,0.0,-0.009252036,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Br-Ca-In,10.0,A3BC_oC20_63_cf_a_c:Br-Ca-In +mp-2496,Cs4Sn23,-3.7147001967,-0.1664867836,0.0,-0.0753372311,GGA,Pm-3n,A4B23_cP54_223_ac_dik:Cs-Sn,54.0,"Invalid WP multiplicities - A4B23_cP54_223_ac_di2k:Cs-Sn, expected Cs4Sn35 to be Cs4Sn23" +mp-23467,CsSn2Br5,-3.5356480794,-1.4506871129,0.0048675669,0.0048675669,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-Cs-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:Br-Cs-Sn, expected CsSn2Br9 to be CsSn2Br5" +mp-1247749,CsSnBr3,-3.519272049,-1.6064602056,0.007294889,-0.0269408595,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Cs-Sn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_2cd_c_a:Br-Cs-Sn, expected CsSnBr4 to be CsSnBr3" +mp-27214,CsSnBr3,-3.526566938,-1.6137550946,0.0,-0.0342357485,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Sn,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Sn +mp-11055,CsSn,-2.75058558,-0.2980984665,0.0095312731,-0.1968336468,GGA,I4_1/acd,AB_tI64_142_ef_g:Cs-Sn,32.0,AB_tI64_142_ef_g:Cs-Sn +mp-571056,CsSn,-2.7601168531,-0.3076297396,0.0,-0.2063649199,GGA,P-43n,AB_cP64_218_ei_ei:Cs-Sn,64.0,"Invalid WP multiplicities - AB_cP64_218_7e8i_8e9i:Cs-Sn, expected Cs31Sn35 to be CsSn" +mp-865565,CsSn3,-3.3829267137,-0.1518972295,0.0554467256,0.0554467256,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cs-Sn,8.0,AB3_hP8_194_c_h:Cs-Sn +mp-641923,Cs2SnBr6,-3.3482384344,-1.6683999257000002,0.0,-0.0792687431,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Sn,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Sn +mp-862902,PmDyMg2,-3.23268888,-0.0932165644,0.0,-0.0007486575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Pm +mp-1187008,SmGaRh2,-6.32005865,-0.7012341756,0.0028942425,0.0028942425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Sm +mp-1208948,Sm2(Ga3Rh)3,-4.9179680625,-0.7191851995,0.0,-0.0821014185,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Sm +mp-30861,PuZn2,-5.7953249333,-0.19954975,0.0,-0.0662723681,GGA,Fd-3m,AB2_cF24_227_a_d:Pu-Zn,6.0,AB2_cF24_227_a_d:Pu-Zn +mp-581595,Pu13Zn58,-3.8048191535,-0.1633117215,0.0138748226,0.0138748226,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Pu-Zn,142.0,"Invalid WP multiplicities - A13B58_hP142_194_2a10h6k_2b2c4f5g6h11i11j43k18l:Pu-Zn, expected Pu68Zn651 to be Pu13Zn58" +mp-567814,Pu3Zn22,-2.988508974,-0.1677939976,0.0,-0.0069632778,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:Pu-Zn,50.0,"Invalid WP multiplicities - A3B22_tI100_141_2ae_3c18h7i:Pu-Zn, expected Pu2Zn67 to be Pu3Zn22" +mp-1186805,PuZnAu2,-5.858061735,-0.33922525,0.0,-0.0311195378,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pu-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Pu-Zn +mp-1186836,Pu3Zn,-10.938382565,0.077432085,0.1522632413,0.1522632413,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pu-Zn,8.0,A3B_hP8_194_h_c:Pu-Zn +mp-1105910,Pu2Zn17,-2.7871727884,-0.15815605,0.0,-0.0109683328,GGA,R-3m,A2B17_hR57_166_c_cdfh:Pu-Zn,19.0,A2B17_hR57_166_c_cdfh:Pu-Zn +mp-1197771,Pu2Zn17,-2.5699718776,0.0590448608,0.2172009108,0.206232578,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Pu-Zn,38.0,A2B17_hP38_194_bc_fgjk:Pu-Zn +mp-1184356,Eu2ZnAg,-6.4370871775000005,-0.2855113742,0.0121726806,0.0121726806,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Zn +mp-1187630,YbHoZn2,-2.4972517925,-0.3368757,0.0016621825,0.0016621825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Yb-Zn,,ABC2_cF16_225_a_b_c:Ho-Yb-Zn +mp-1220172,NdAl2Pt3,-6.1609804667,-1.0821972913,0.0,-0.0067943567,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Al-Nd-Pt,6.0,A2BC3_hP6_191_c_a_g:Al-Nd-Pt +mp-568130,NdAlPt,-5.9152266433000005,-1.0536077825,0.0,-0.1299416717,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Nd-Pt,12.0,ABC_oP12_62_c_c_c:Al-Nd-Pt +mp-1195250,Zr(Zn10Co)2,-2.255516388,-0.1703334133,0.0,-0.0439809602,GGA,Fd-3m,A2B20C_cF184_227_d_cfg_a:Co-Zn-Zr,46.0,A2B20C_cF184_227_d_cfg_a:Co-Zn-Zr +mp-1097323,ZrZnCo2,-3.642239365,2.3637805925,2.63880308,2.6346185231,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Zn-Zr,4.0,A2BC_oI8_71_e_a_b:Co-Zn-Zr +mp-1183041,ZrZnCo2,-6.281042445,-0.2750224875,0.0,-0.0041845569,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Zn-Zr +mp-1105772,Pu2Si4Mo3,-9.3481880111,-0.15108811,0.2565146316,0.2565146316,GGA,P2_1/c,A3B2C4_mP18_14_ae_e_2e:Mo-Pu-Si,18.0,A3B2C4_mP18_14_ae_e_2e:Mo-Pu-Si +mp-1188982,Tm2Si4Mo3,-7.6817157067,-0.6606164515,0.0,-0.0993494695,GGA,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Mo-Si-Tm,18.0,A3B4C2_mP18_14_ae_2e_e:Mo-Si-Tm +mp-20268,TiGePd,-6.6097802167,-0.7103129894,0.0,-0.0755067855,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pd-Ti,12.0,ABC_oP12_62_c_c_c:Ge-Pd-Ti +mp-16740,TiGePd,-6.5846154133,-0.6851481861000001,0.0251648033,-0.0503419822,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Pd-Ti,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Ge-Pd-Ti, expected Ti3Ge5Pd3 to be TiGePd" +mp-866107,Ac2IrPd,-6.1935095,-0.6283429988,0.0,-0.6283429988,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Ac-Ir-Pd +mp-1186407,PaSnRu2,-8.3823765075,-0.3641161088,0.0,-0.2890360714,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Pa-Ru-Sn +mp-1183906,Eu2CuRh,-8.239751925,-0.24537239,0.0457929654,0.0457929654,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Eu-Rh,4.0,AB2C_cF16_225_a_c_b:Cu-Eu-Rh +mp-1024987,HoCu4Ag,-4.2099826517,-0.2413507261,0.0,-0.0457359216,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Ho,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Ho +mp-1224277,Ho2(CuAg)5,-3.700162115,-0.0481928561,0.1720631612,0.1720631612,GGA,Cm,A5B5C2_mC24_8_a2b_5a_2a:Ag-Cu-Ho,,"Invalid WP multiplicities - A5B5C2_mC24_8_a4b_5a_2a:Ag-Cu-Ho, expected Ho2Cu5Ag9 to be Ho2(CuAg)5" +mp-862955,PmSbRh2,-6.5265941125,-0.6245542869,0.0,-0.206007084,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Sb +mp-568942,Lu5NiPb3,-4.87106889,-0.47964328,0.0,-0.0138089978,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Lu-Ni-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d3g_b_g:Lu-Ni-Pb, expected Lu13NiPb3 to be Lu5NiPb3" +mp-13074,LuNiPb,-5.0779022289,-0.4066574722,0.0,-0.0144045806,GGA,P-62m,ABC_hP9_189_f_ad_g:Lu-Ni-Pb,9.0,ABC_hP9_189_f_ad_g:Lu-Ni-Pb +mp-631479,CaHfBe,-4.51058858,0.7234786783,0.8152337613,0.8152337613,GGA,F-43m,ABC_cF12_216_c_a_b:Be-Ca-Hf,3.0,ABC_cF12_216_c_a_b:Be-Ca-Hf +mp-1188531,Zr5CuPb3,-6.7292441517,-0.2875051483,0.0,-0.1417886301,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Cu-Pb-Zr +mp-16246,CdSbAu,-2.9569500233,-0.1816923567,0.0,-0.0408234344,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Cd-Sb,3.0,ABC_cF12_216_c_a_b:Au-Cd-Sb +mp-1224266,Ho3TmMn8,-7.6024595808,0.0241391167,0.0391527094,0.0391527094,GGA,Cm,A3B8C_mC24_8_3a_4a2b_a:Ho-Mn-Tm,12.0,"Invalid WP multiplicities - A3B8C_mC24_8_3a_4a4b_a:Ho-Mn-Tm, expected Ho3TmMn12 to be Ho3TmMn8" +mp-977398,TbCdAg2,-3.0927110525,-0.2871190858,0.0,-0.0139722335,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Tb,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Tb +mp-1186461,Pm2GaHg,-3.7119444475,-0.5037291894,0.0,-0.1651519029,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hg-Pm,4.0,ABC2_cF16_225_a_b_c:Ga-Hg-Pm +mp-1093686,ZrGaRu2,-4.8560347975,2.6751156356,3.2136674025,3.1589231894,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ru-Zr,4.0,AB2C_oI8_71_a_e_b:Ga-Ru-Zr +mp-1188059,ZrGaRu2,-8.0697022,-0.5385517669000001,0.0,-0.0547442131,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-Zr +mp-1193884,Zr6Ga16Ru7,-6.1512497855,-0.4734374434,0.0439713521,0.0439713521,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ru-Zr +mp-1097465,LiHfHg2,-1.4858678925,1.6325002642,1.8639739006,1.8639739006,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Hf-Hg-Li +mp-867910,LaAgAu2,-4.17346913,-0.5943873529,0.0100096346,0.0100096346,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-La,4.0,AB2C_cF16_225_a_c_b:Ag-Au-La +mp-1097276,LaAg2Au,-1.973366325,1.4953839529,1.9103634302,1.9103634302,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Au-La,4.0,A2BC_oI8_71_e_a_b:Ag-Au-La +mp-1097188,La2AgAu,-2.370084085,1.6245289683,2.1638118937,2.1638118937,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-La,4.0,ABC2_oI8_71_a_b_e:Ag-Au-La +mp-864625,Ho2IrRh,-7.2521628425,-0.910272895,0.0,-0.0094893625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Rh +mp-1095371,LiYbSb,-3.5253681583,-0.9995240294,0.0,-0.1139350546,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Sb-Yb,,ABC_oP12_62_c_c_c:Li-Sb-Yb +mp-1207970,Tm5BiPt2,-5.73931941,-0.9440777992,0.0,-0.0007860056,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pt-Tm,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pt-Tm +mp-1207057,TmBiPt,-5.8294524733,-1.0336331822,0.0,-0.1521153467,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pt-Tm,3.0,ABC_cF12_216_a_c_b:Bi-Pt-Tm +mp-1183760,Ce2AgHg,-3.914082845,-0.1634791754,0.048552335,0.048552335,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ce-Hg,4.0,AB2C_cF16_225_a_c_b:Ag-Ce-Hg +mp-865885,CeAgHg2,-2.6273579075,-0.2841064354,0.0,-0.0064174792,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ce-Hg,4.0,ABC2_cF16_225_a_b_c:Ag-Ce-Hg +mp-1103982,Lu2CdSe4,-5.1857975836,-1.7645923392,0.0029311336,0.0029311336,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Lu-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-Lu-Se +mp-1084775,ScSnPt,-6.4647191389,-0.9936610456,0.008094665,-0.1509841149,GGA,P-62m,ABC_hP9_189_ad_f_g:Pt-Sc-Sn,9.0,ABC_hP9_189_ad_f_g:Pt-Sc-Sn +mp-18198,ScSnPt,-6.4728138039,-1.0017557106,0.0,-0.1590787799,GGA,P-62c,ABC_hP18_190_bf_h_g:Pt-Sc-Sn,18.0,ABC_hP18_190_bf_h_g:Pt-Sc-Sn +mp-12603,ScSnPt,-5.8858134733,-0.41475538,0.5870003306,0.4279215506,GGA,F-43m,ABC_cF12_216_a_c_b:Pt-Sc-Sn,3.0,ABC_cF12_216_a_c_b:Pt-Sc-Sn +mp-30844,ScSnPt2,-6.51167055,-0.89059365,0.0523172378,0.0523172378,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Pt-Sc-Sn +mp-979073,TmMg2Sc,-3.5416108675,-0.0393947104,0.009827465,0.009827465,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Sc-Tm,4.0,A2BC_cF16_225_c_a_b:Mg-Sc-Tm +mp-1104171,Yb(GaSe2)2,-4.3626865264,-1.2799084928,0.0035593071,0.0035593071,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-Se-Yb,,A2B4C_oC28_66_l_kl_a:Ga-Se-Yb +mp-1093969,LiScGa2,-1.997330255,1.5770657492,2.0650299605,2.0650299605,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Li-Sc,4.0,A2BC_oI8_71_e_a_b:Ga-Li-Sc +mp-1095850,LiSc2Ga,-2.3048567875,2.0956324873,2.4538775301,2.4538775301,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Li-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Li-Sc +mp-1185424,LiSc2Ga,-4.74525051,-0.3447612352,0.0134838076,0.0134838076,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Sc +mp-1193661,Nb9Ni4Ge,-8.6848963511,-0.2095163557,0.009544974,0.009544974,GGA,I4/mcm,AB9C4_tI56_140_a_b2k_eh:Ge-Nb-Ni,28.0,AB9C4_tI56_140_a_b2k_eh:Ge-Nb-Ni +mp-1101995,NbNiGe,-7.3300162042,-0.4951930125,0.0,-0.0914768274,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Nb-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Nb-Ni +mp-672653,Nb6Ni16Ge7,-6.7695215345,-0.3746521516,0.0135060375,0.0135060375,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:Ge-Nb-Ni,29.0,"Invalid WP multiplicities - A7B6C16_cF116_225_a2d_e_10f:Ge-Nb-Ni, expected Nb6Ni80Ge13 to be Nb6Ni16Ge7" +mp-1220746,Nb2Ni3Ge,-7.36169653,-0.3340218675,0.0538785847,0.0538785847,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Ge-Nb-Ni,12.0,AB2C3_hP12_194_a_f_h:Ge-Nb-Ni +mp-865149,PaAlRu2,-8.5211059625,-0.56884457,0.0,-0.232109095,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Pa-Ru +mp-1207715,Yb(Al5Re)2,-5.2145655837,-0.3003793568,0.0,-0.0118960211,GGA,Cmcm,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Yb,,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Yb +mp-1187997,Yb3Re,-3.7173808587,0.5484571475000001,0.5484571475000001,0.5484571475000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Re-Yb,,AB3_hP8_194_c_h:Re-Yb +mp-980049,Yb3Re,-3.714758315,0.5510796912,0.5510796912,0.5510796912,GGA,Fm-3m,AB3_cF16_225_a_bc:Re-Yb,,AB3_cF16_225_a_bc:Re-Yb +mp-1102695,YbRe2,-8.7413771933,0.0681770233,0.0681770233,0.0681770233,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Yb,,A2B_hP12_194_ah_f:Re-Yb +mp-977582,ZrZnRh2,-6.902354245,-0.76833925,0.0,-0.1261812617,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Rh-Zn-Zr +mp-1215449,YbZnIn,-2.2496868167,-0.39934161,0.0112007758,0.0112007758,GGA,P-6m2,ABC_hP3_187_a_d_e:In-Yb-Zn,,ABC_hP3_187_a_d_e:In-Yb-Zn +mp-1077753,YbZnIn,-2.2437246467,-0.39337944,0.0171629458,0.0171629458,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:In-Yb-Zn,,ABC_hP6_194_c_a_d:In-Yb-Zn +mp-1187929,Yb2ZnIn,-2.1787393375,-0.4060783625,0.006386235,0.006386235,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Yb-Zn,,AB2C_cF16_225_a_c_b:In-Yb-Zn +mp-1021409,RbMg6Sn,-1.6534989862,0.1704742922,0.2603257696,0.2603257696,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Rb-Sn, expected RbMg12Sn to be RbMg6Sn" +mp-1021425,RbMg6Sn,-1.6590841569,0.1648891216,0.2547405989,0.2547405989,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Rb-Sn, expected RbMg12Sn to be RbMg6Sn" +mp-1028290,RbMg14Sn,-1.6220765438,0.0900501205,0.1484352,0.1484352,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Sn, expected RbMg18Sn to be RbMg14Sn" +mp-1028263,RbMg14Sn,-1.5979499544,0.1141767098,0.1725617894,0.1725617894,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Sn, expected RbMg26Sn to be RbMg14Sn" +mp-1224436,Hf3AlMo8,-10.1149295492,-0.0830675658,0.1165639103,0.1165639103,GGA,R3m,AB3C8_hR36_160_a_3a_2a2b:Al-Hf-Mo,12.0,"Invalid WP multiplicities - AB3C8_hR36_160_a_3a_2a6b:Al-Hf-Mo, expected Hf3AlMo20 to be Hf3AlMo8" +mp-1224402,HfAlMo,-8.5106170525,-0.3278120625,0.0,-0.0057500748,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Hf-Mo,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Hf-Mo, expected Hf3(AlMo)2 to be HfAlMo" +mp-1097449,Hf2AlMo,-4.9721426125,3.6542583875,3.9484315812,3.9484315812,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Hf-Mo,4.0,AB2C_oI8_71_a_e_b:Al-Hf-Mo +mp-978521,SmZn2Cd,-2.371113005,-0.3308722263,0.0062961946,0.0062961946,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Cd-Sm-Zn +mp-634984,Mg5(Si8Pd5)2,-5.1618559784,-0.4326525323,0.0,-0.0309600339,GGA,F-43m,A5B10C16_cF124_216_ae_ef_eh:Mg-Pd-Si,31.0,"Invalid WP multiplicities - A5B10C16_cF124_216_ae_2e3f_2e3h:Mg-Pd-Si, expected Mg5(Si22Pd13)2 to be Mg5(Si8Pd5)2" +mp-1095933,MgSiPd2,-3.0548113875,1.2915290375,1.9214522539,1.9214522539,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pd-Si,4.0,AB2C_oI8_71_a_e_b:Mg-Pd-Si +mp-863681,ErThTc2,-8.242824625,-0.0671108875,0.1028748556,0.1028748556,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Er-Tc-Th +mp-1222265,LuMnIn,-5.5494716067,-0.0712550926,0.1854259507,0.1854259507,GGA,P-6m2,ABC_hP3_187_a_d_e:In-Lu-Mn,3.0,ABC_hP3_187_a_d_e:In-Lu-Mn +mp-861878,Cd2AgRh,-3.094289815,-0.0836289667,0.0,-0.0386493723,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Cd-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Cd-Rh +mp-8952,HoAsPd,-5.9988931517,-1.19175679,0.0,-0.065752587,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ho-Pd,12.0,ABC_oP12_62_c_c_c:As-Ho-Pd +mp-570965,Pr6CoBr10,-4.9650983488,-1.9460374297,0.0,-0.0246831238,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Co-Pr,17.0,"Invalid WP multiplicities - A10BC6_aP17_2_8i_a_6i:Br-Co-Pr, expected Pr12CoBr16 to be Pr6CoBr10" +mp-1210173,Pr3CoBr3,-5.1893738425,-1.4593566925,0.0,-0.0293263936,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-Co-Pr,28.0,A3BC3_cI56_214_h_a_g:Br-Co-Pr +mp-1220182,NdCu3Pd2,-4.961666385,-0.3907445412,0.013461875,0.013461875,GGA,Imm2,A3BC2_oI12_44_ac_b_d:Cu-Nd-Pd,6.0,A3BC2_oI12_44_ac_b_d:Cu-Nd-Pd +mp-1220178,NdCu4Pd,-4.66070773,-0.2698984096,0.01119705,0.01119705,GGA,R3m,A4BC_hR18_160_ab_a_a:Cu-Nd-Pd,6.0,A4BC_hR18_160_ab_a_a:Cu-Nd-Pd +mp-1097435,NbCrRe2,-6.5932035375,4.5676481825,4.6376928163,4.6376928163,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Nb-Re,4.0,ABC2_oI8_71_a_b_e:Cr-Nb-Re +mp-1097414,Nb2CrRe,-6.150025675,4.4250205088,4.50611541,4.50611541,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Nb-Re,4.0,AB2C_oI8_71_a_e_b:Cr-Nb-Re +mp-1096757,NbCr2Re,-6.406545875,4.0564359162,4.12648055,4.12648055,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Nb-Re,4.0,A2BC_oI8_71_e_a_b:Cr-Nb-Re +mp-1187641,YbEuTl2,-4.59687968,-0.4664055867,0.0,-0.0819218765,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Tl-Yb,,AB2C_cF16_225_a_c_b:Eu-Tl-Yb +mp-1187901,Yb2InPb,-2.9113006725,-0.5254138325000001,0.0,-0.0008596125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pb-Yb,,ABC2_cF16_225_a_b_c:In-Pb-Yb +mp-20838,CaIn4Ir,-3.9740466792,-0.3322518492,0.0,-0.0224754312,GGA,Pmma,AB4C_oP12_51_e_afj_e:Ca-In-Ir,12.0,"Invalid WP multiplicities - AB4C_oP12_51_e_2a2f2j_e:Ca-In-Ir, expected CaIn8Ir to be CaIn4Ir" +mp-20846,CaIn2Ir,-4.5263518284,-0.4395014484,0.0,-0.0489124914,GGA,Pnma,AB2C_oP32_62_2c_2d_2c:Ca-In-Ir,32.0,"Invalid WP multiplicities - AB2C_oP32_62_2c_5d_3c:Ca-In-Ir, expected Ca2In10Ir3 to be CaIn2Ir" +mp-1196355,Sm3Ge13Os4,-6.295989564,-0.337760052,0.009675443,0.009675443,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Sm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Os-Sm +mp-1213880,Ce5AgSn3,-5.4555396106,-0.5081265724,0.0,-0.0183828016,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Ag-Ce-Sn,18.0,AB5C3_hP18_193_b_dg_g:Ag-Ce-Sn +mp-1183725,Ce2AgSn,-5.017514445,-0.3404379029,0.0869139333,0.0869139333,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ce-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Ce-Sn +mp-542824,Ce3(AgSn)4,-4.5556593782,-0.4494976602,0.0,-0.0298503116,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Ce-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Ag-Ce-Sn +mp-581496,Ce3(AgSn)4,-4.1774968364,-0.0713351183,0.3781625418,0.3483122302,GGA,Immm,A4B3C4_oI22_71_n_af_eg:Ag-Ce-Sn,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_2eg:Ag-Ce-Sn, expected Ce3(Ag2Sn3)2 to be Ce3(AgSn)4" +mp-1226708,CeAgSn,-4.5635930233,-0.3051873522,0.160840925,0.1384047549,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Ce-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Ce-Sn +mp-31420,CeAgSn,-4.7244339483,-0.4660282772,0.0,-0.0224361701,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Ce-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Ce-Sn +mp-1102952,DyAsSe,-5.8460641208,-1.5921252133,0.0,-0.0624520053,GGA,Pnma,ABC_oP12_62_c_c_c:As-Dy-Se,12.0,ABC_oP12_62_c_c_c:As-Dy-Se +mp-1185489,LuInPt2,-5.798481965,-0.9447567425,0.0135174661,0.0135174661,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Lu-Pt,4.0,ABC2_cF16_225_a_b_c:In-Lu-Pt +mp-1210805,Lu5(In2Pt)2,-4.9701027336,-0.8106705373,0.0,-0.0864864655,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:In-Lu-Pt,22.0,A4B5C2_oP22_55_2g_b2h_g:In-Lu-Pt +mp-569848,LuInPt,-5.4348459067,-0.9869233833,0.0,-0.0914352355,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Lu-Pt,9.0,ABC_hP9_189_f_g_bc:In-Lu-Pt +mp-1186255,Nd2TlHg,-3.4763724425,-0.4257178483,0.007909485,0.007909485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Nd-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Nd-Tl +mp-1093571,CaAgAu2,-2.11323041,0.7332495608,1.2667764846,1.2667764846,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Ca,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Ca +mp-983850,Ca2AgAu,-3.0876840625,-0.5582746217,0.015627245,0.015627245,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Ca,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Ca +mp-867751,Ca2AgSn,-3.248859115,-0.5355272104000001,0.0,-0.0141426177,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ca-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Ca-Sn +mp-865729,CaAg2Sn,-3.266559155,-0.3464882196,0.0,-0.0224326471,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Sn +mp-8584,NaErSe2,-5.1532362225,-1.9327194578,0.0,-0.1268807234,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Na-Se,4.0,ABC2_hR12_166_a_b_c:Er-Na-Se +mp-1216954,TmScGe,-5.6496402322,-0.5058627711,0.2290877971,0.2290877971,GGA,Amm2,ABC_oC36_38_abcd_ef_abde:Ge-Sc-Tm,18.0,ABC_oC36_38_abcd_ef_abde:Ge-Sc-Tm +mp-504835,NbNiAs2,-6.7893537875,-0.489434155,0.0,-0.0028937065,GGA,Pnma,A2BC_oP16_62_2c_c_c:As-Nb-Ni,16.0,A2BC_oP16_62_2c_c_c:As-Nb-Ni +mp-1103243,NbNiAs,-7.3734667075,-0.5266133325,0.0,-0.0338461273,GGA,Pnma,ABC_oP12_62_c_c_c:As-Nb-Ni,12.0,ABC_oP12_62_c_c_c:As-Nb-Ni +mp-976289,NaCd2Au,-1.807818525,-0.1972718216,0.0265642994,0.0265642994,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Cd-Na,4.0,AB2C_cF16_225_a_c_b:Au-Cd-Na +mp-982883,Na6Cd16Au7,-1.7907591741000002,-0.2177053148,0.0,-0.0352316953,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Au-Cd-Na,29.0,A7B16C6_cF116_225_ad_2f_e:Au-Cd-Na +mp-1220558,NbCrGe,-8.2335603142,-0.1077668592,0.2021313524,0.2021313524,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Ge-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Ge-Nb, expected Nb3(CrGe)2 to be NbCrGe" +mp-21440,NbCrGe,-8.3920608744,-0.2662674194,0.0436307921,0.0436307921,GGA,P-62m,ABC_hP9_189_f_bc_g:Cr-Ge-Nb,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Cr-Ge-Nb, expected Nb3Cr3Ge5 to be NbCrGe" +mp-1206769,Tm2MgNi2,-4.829791393,-0.4073465417,0.0,-0.002623466,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Ni-Tm,10.0,AB2C2_tP10_127_a_g_h:Mg-Ni-Tm +mp-1208029,Tm4MgNi,-4.4282838075,-0.2143240703,0.0,-0.0114365642,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ni-Tm,24.0,ABC4_cF96_216_e_e_efg:Mg-Ni-Tm +mp-1232084,Tm2MgSe4,-5.2742748614,-1.7691896032,0.1925182282,0.1925182282,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Tm,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Tm +mp-1232089,Tm2MgSe4,-5.4209246359,-1.9158393777,0.0458684538,0.0458684538,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Tm,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Tm +mp-1232081,Tm2MgSe4,-5.3954582557,-1.8903729975,0.0713348339,0.0713348339,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-Se-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Mg-Se-Tm +mp-1232085,Tm2MgSe4,-5.4365202086,-1.9314349504,0.0302728811,0.0302728811,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Tm,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Tm +mp-1232135,Tm2MgSe4,-5.2089000064,-1.7038147482,0.2578930832,0.2578930832,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Tm,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Tm +mp-1232082,Tm2MgSe4,-5.3522105721,-1.847125314,0.1145825175,0.1145825175,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-Se-Tm,14.0,AB4C2_tI28_122_a_e_d:Mg-Se-Tm +mp-15802,Tm2MgSe4,-5.4633484393,-1.9582631811,0.0034446504,0.0034446504,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-Se-Tm,14.0,AB4C2_cF56_227_a_e_d:Mg-Se-Tm +mp-1232151,TmMgSe3,-4.70163947,-1.3888694887,0.3273208737,0.3273208737,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Tm,10.0,AB3C_mC20_12_g_ij_i:Mg-Se-Tm +mp-1232198,TmMgSe3,-4.820539726,-1.5077697447,0.2084206177,0.2084206177,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-Se-Tm,30.0,AB3C_hR30_148_c_f_c:Mg-Se-Tm +mp-1096117,Al2TcIr,-3.96610331,2.7064528862,3.3876365381,3.3876365381,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ir-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Ir-Tc +mp-11512,LiAl2Ir,-5.29582856,-0.7362013833000001,0.0,-0.1486945671,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Al-Ir-Li +mp-1096540,LiAlIr2,-3.2487880625,2.5840537017000003,3.196514095,3.196514095,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ir-Li,4.0,AB2C_oI8_71_a_e_b:Al-Ir-Li +mp-696132,Zr5ZnPb3,-6.4562762289,-0.3300331211,0.0,-0.1624229609,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Pb-Zn-Zr,18.0,A3BC5_hP18_193_g_b_dg:Pb-Zn-Zr +mp-1207719,Yb6Ta4Al43,-4.3560372352,-0.2479519354,0.0,-0.0349738124,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Yb +mp-1102613,La3(ZnPt)4,-4.91295618,-0.900998995,0.0,-0.0961617101,GGA,Immm,A3B4C4_oI22_71_af_eh_n:La-Pt-Zn,11.0,A3B4C4_oI22_71_af_eh_n:La-Pt-Zn +mp-867835,BeSiRu2,-7.483028515,-0.5546445213,0.0,-0.1233096556,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Be-Ru-Si +mp-1210543,Th4Co10Si,-7.017890426,0.0597048393,0.3755056181,0.3755056181,GGA,I4_1/amd,A10BC4_tI60_141_ci_a_h:Co-Si-Th,30.0,A10BC4_tI60_141_ci_a_h:Co-Si-Th +mp-17474,ThCo9Si2,-7.18804936,-0.3347698213,0.0,-0.0094986788,GGA,I4_1/amd,A9B2C_tI48_141_ai_c_b:Co-Si-Th,24.0,"Invalid WP multiplicities - A9B2C_tI48_141_2ai_c_b:Co-Si-Th, expected Th(Co5Si)2 to be ThCo9Si2" +mp-1025025,ThCoSi,-7.3344310967,-0.685266405,0.0,-0.0060523475,GGA,I4_1md,ABC_tI12_109_a_a_a:Co-Si-Th,6.0,ABC_tI12_109_a_a_a:Co-Si-Th +mp-7072,Th(CoSi)2,-7.276876722,-0.7806507420000001,0.0,-0.1229150126,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Th +mp-1206216,ThCoSi2,-7.1393527163,-0.79614969,0.0,-0.0671822769,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-Th,8.0,AB2C_oC16_63_c_2c_c:Co-Si-Th +mp-1068664,ThCoSi3,-6.8196940040000005,-0.6600679770000001,0.0,-0.023148225,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Si-Th,5.0,AB3C_tI10_107_a_ab_a:Co-Si-Th +mp-1217302,Th2CoSi3,-7.1119789,-0.7433141692,0.0069302525,0.0069302525,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Co-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Co-Si-Th +mp-1217297,Th2CoSi3,-7.0543455317,-0.6856808008,0.0645636208,0.0645636208,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Co-Si-Th,6.0,AB3C2_hP6_187_a_bcd_i:Co-Si-Th +mp-38870,Ca(Ce2Se3)4,-6.4239049714,-2.0705120737,0.0542091985,0.0542091985,GGA,Cc,AB8C12_mC84_9_a_8a_12a:Ca-Ce-Se,42.0,"Invalid WP multiplicities - AB8C12_mC84_9_a_16a_24a:Ca-Ce-Se, expected Ca(Ce2Se3)8 to be Ca(Ce2Se3)4" +mp-1214746,Ba2DyCl7,-5.010027805,-2.8715784710000003,0.0,-0.0055384645,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Dy,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Dy +mp-1183385,Ba3Dy,-2.3648859925,0.2260419225,0.2260419225,0.2260419225,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Dy,8.0,A3B_hP8_194_h_c:Ba-Dy +mp-1183294,BaDy,-2.94936778,0.31351311,0.31351311,0.31351311,GGA,P-6m2,AB_hP2_187_a_d:Ba-Dy,2.0,AB_hP2_187_a_d:Ba-Dy +mp-865589,Lu2IrPd,-6.7929252075,-1.02787095,0.0,-0.0346879875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Lu-Pd,4.0,AB2C_cF16_225_a_c_b:Ir-Lu-Pd +mp-1183121,AcInAg2,-3.4357571875,-0.3012645015,0.0,-0.0309612037,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ag-In,4.0,AB2C_cF16_225_a_c_b:Ac-Ag-In +mp-1217418,Te4Mo2Ru,-6.7476034593000005,-0.5277568402,0.0,-0.0020518891,GGA,P1,A2BC4_aP14_1_4a_2a_8a:Mo-Ru-Te,14.0,A2BC4_aP14_1_4a_2a_8a:Mo-Ru-Te +mp-1217440,Te16(Mo3Ru)3,-6.7997435568,-0.5237809531000001,0.0,-0.0044412241,GGA,P1,A9B3C16_aP28_1_9a_3a_16a:Mo-Ru-Te,28.0,A9B3C16_aP28_1_9a_3a_16a:Mo-Ru-Te +mp-1219478,SbAsRh,-5.9525364208,-0.5683939158,0.0,-0.0225402904,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Rh-Sb,12.0,ABC_mP12_14_e_e_e:As-Rh-Sb +mp-1207630,Yb(Sb3Os)4,-5.7679239682,-0.1210361518,0.025445075,0.025445075,GGA,Im-3,A4B12C_cI34_204_c_g_a:Os-Sb-Yb,,A4B12C_cI34_204_c_g_a:Os-Sb-Yb +mp-11160,SmSbIr,-6.7815280858,-0.8861875675,0.0,-0.0415488658,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sb-Sm,12.0,ABC_oP12_62_c_c_c:Ir-Sb-Sm +mp-1215751,Zr10(IrPt)3,-8.9083364869,-0.7704796869,0.0177322439,0.0177322439,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Ir-Pt-Zr,16.0,A3B3C10_hP16_189_f_g_fgh:Ir-Pt-Zr +mp-980068,YbSmPd2,-5.006934575,-0.8524450662,0.0059890063,0.0059890063,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sm-Yb,,A2BC_cF16_225_c_a_b:Pd-Sm-Yb +mp-29741,Tl2(CdSb)3,-2.6236712256,-0.138551314,0.0005584284,0.0005584284,GGA,C2/m,A3B3C2_mC32_12_3i_3i_2i:Cd-Sb-Tl,16.0,A3B3C2_mC32_12_3i_3i_2i:Cd-Sb-Tl +mp-7379,TlCdSb,-2.6125196533,-0.1410082711,0.0,-0.0178515476,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Sb-Tl,12.0,ABC_oP12_62_c_c_c:Cd-Sb-Tl +mp-676566,LiNbAs2,-5.8012361208000005,-0.4691199417,0.1441352825,0.1441352825,GGA,Cm,A2BC_mC48_8_12a_6a_6a:As-Li-Nb,24.0,A2BC_mC48_8_12a_6a_6a:As-Li-Nb +mp-1222305,LiNbAs2,-5.4525625475,-0.1204463683,0.4928088558,0.4928088558,GGA,P-4m2,A2BC_tP4_115_g_a_c:As-Li-Nb,4.0,A2BC_tP4_115_g_a_c:As-Li-Nb +mp-9573,NaBeAs,-3.6301025583,-0.3897503705,0.0,-0.1319348358,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Be-Na,6.0,ABC_hP6_194_c_d_a:As-Be-Na +mp-977194,Na3Be,-1.4099037,0.5168434863,0.5168434863,0.5168434863,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Na,4.0,AB3_tI8_139_a_bd:Be-Na +mp-1206617,Er7(TeIr)2,-6.0152366373,-0.9300082903,0.0292019518,0.0292019518,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Er-Ir-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Er-Ir-Te +mp-861929,Pu2BiAu,-9.3287882375,-0.41627629,0.0,-0.0284185583,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Pu,4.0,ABC2_cF16_225_a_b_c:Au-Bi-Pu +mp-1213881,Ce3HfSb5,-6.3897143017,-1.0117740022,0.0,-0.0555837967,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Ce-Hf-Sb,18.0,A3BC5_hP18_193_g_b_dg:Ce-Hf-Sb +mp-978542,SmErIn2,-4.1555248675,-0.4581067662,0.0,-0.005170525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Sm,4.0,AB2C_cF16_225_a_c_b:Er-In-Sm +mp-1097283,LiHfAu2,-3.08495757,1.5185114042,2.0608605563,2.0608605563,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Li,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Li +mp-1185323,LiHfAu2,-5.126500055,-0.5230310808,0.0193180712,0.0193180712,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hf-Li,4.0,A2BC_cF16_225_c_a_b:Au-Hf-Li +mp-1221266,Sc15(In5Rh2)4,-5.4603306409,-0.6013731029,0.0,-0.0189429622,GGA,Pm,A20B8C15_mP86_6_20c_5ab5c_15a15b:In-Rh-Sc,86.0,"Invalid WP multiplicities - A20B8C15_mP86_6_40c_5ab10c_15a15b:In-Rh-Sc, expected Sc15In40Rh13 to be Sc15(In5Rh2)4" +mp-1210379,Sc50In3Rh13,-6.8808945273,-0.507947425,0.0,-0.0227623899,GGA,Fm-3,A3B13C50_cF264_202_ac_bh_efhi:In-Rh-Sc,66.0,A3B13C50_cF264_202_ac_bh_efhi:In-Rh-Sc +mp-18645,Sc5(In2Rh)2,-5.8873306373,-0.6693582568,0.0,-0.0351894865,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Rh-Sc,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Rh-Sc +mp-867842,ScInRh2,-6.7852559675,-0.8320638238,0.0,-0.1095450025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:In-Rh-Sc +mp-1096211,NbGaOs2,-5.336781515,3.5592524656,3.7630690325,3.7484959682,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Nb-Os,4.0,ABC2_oI8_71_a_b_e:Ga-Nb-Os +mp-1186222,NbGaOs2,-9.0998505475,-0.2038165669,0.0,-0.0145730643,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Nb-Os,4.0,ABC2_cF16_225_a_b_c:Ga-Nb-Os +mp-1102464,SmGaPt,-5.663686645,-1.0577481525,0.0,-0.129756165,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Sm,12.0,ABC_oP12_62_c_c_c:Ga-Pt-Sm +mp-1219019,SmGa3Pt,-4.690881952,-0.7160804475,0.0017527503,0.0017527503,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Pt-Sm,5.0,A3BC_tI10_119_af_b_c:Ga-Pt-Sm +mp-1096444,BeFeCo2,-3.6946636925,2.9118537238,3.0987531575,3.0987531575,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Co-Fe,4.0,AB2C_oI8_71_a_e_b:Be-Co-Fe +mp-20497,SrIn2Ir,-4.4154596162,-0.4076358429,0.0,-0.0532753783,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ir-Sr,8.0,A2BC_oC16_63_f_c_c:In-Ir-Sr +mp-21901,SrIn4Ir,-3.9356033725,-0.3464929469,0.0,-0.0242997,GGA,Pmma,A4BC_oP12_51_afj_e_e:In-Ir-Sr,12.0,"Invalid WP multiplicities - A4BC_oP12_51_a2f3j_e_e:In-Ir-Sr, expected SrIn9Ir to be SrIn4Ir" +mp-1194987,Sr(In4Ir)2,-4.0188846395,-0.257081762,0.0,-0.010384545,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:In-Ir-Sr,44.0,A8B2C_oP44_55_ad2g5h_2g_g:In-Ir-Sr +mp-21288,La2InGe2,-5.140186471,-0.766235741,0.0,-0.0369679523,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-La,10.0,A2BC2_tP10_127_g_a_h:Ge-In-La +mp-1224015,La3InGe,-5.0385663277,-0.6020197477,0.0,-0.0235049137,GGA,Fmm2,ABC3_oF160_42_b2cd_bc2d_4acd4e:Ge-In-La,40.0,"Invalid WP multiplicities - ABC3_oF160_42_b2cd_bc2d_4acd6e:Ge-In-La, expected La4InGe to be La3InGe" +mp-1189294,La3In4Ge,-4.3966722594,-0.5919492481,0.0,-0.0018297366,GGA,I4/mcm,AB4C3_tI32_140_c_l_ah:Ge-In-La,16.0,AB4C3_tI32_140_c_l_ah:Ge-In-La +mp-1022517,RbMg6Zr,-2.1394597237,0.2517796516,0.2678803096,0.2678803096,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Zr,8.0,A6BC_oC16_38_2bde_a_a:Mg-Rb-Zr +mp-1022554,RbMg6Zr,-2.1442288213,0.2470105541,0.2631112121,0.2631112121,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Zr,8.0,A6BC_oC16_38_abde_a_b:Mg-Rb-Zr +mp-1027879,RbMg14Zr,-1.813080085,0.1826796277,0.2014637287,0.2014637287,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Zr, expected RbMg18Zr to be RbMg14Zr" +mp-1027851,RbMg14Zr,-1.8422266169,0.1535330958,0.1723171969,0.1723171969,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Zr, expected RbMg26Zr to be RbMg14Zr" +mp-862692,DyHoMg2,-3.1720463975,-0.074607445,0.002089765,0.002089765,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-Mg,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-Mg +mp-865170,GaFeRh2,-6.9861701125,-0.4294868694,0.0,-0.067582185,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Fe-Ga-Rh +mp-1191176,Zr3AlAu2,-6.4604286892000005,-0.4710217358,0.0242586625,0.0242586625,GGA,Fd-3m,AB2C3_cF96_227_c_e_f:Al-Au-Zr,24.0,AB2C3_cF96_227_c_e_f:Al-Au-Zr +mp-1215335,ZrAlAu2,-5.1972160975,-0.4869559825,0.0471415425,0.0454232181,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Au-Zr,4.0,AB2C_tP4_123_a_h_b:Al-Au-Zr +mp-864878,ZrAlAu2,-5.24435764,-0.5340975250000001,0.0,-0.0017183244,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Au-Zr +mp-1184865,HoScZn2,-3.7139102975,-0.3553189988,0.01074825,0.01074825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Sc-Zn +mp-865655,TiNbTc2,-10.134081465,-0.4545627283,0.0,-0.1415144475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Nb-Tc-Ti +mp-1077994,SiSnPd5,-5.6637538157,-0.6159968250000001,0.0,-0.0352190943,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pd-Si-Sn,7.0,A5BC_tP7_123_ai_b_c:Pd-Si-Sn +mp-1183732,CeTh3,-7.0535616225,-0.0098956463,0.0,-0.0098956463,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Th,4.0,AB3_cP4_221_a_c:Ce-Th +mp-1226523,CeTh,-6.66594997,0.0075237325,0.01412083,0.01412083,GGA,R-3m,AB_hR6_166_a_b:Ce-Th,2.0,AB_hR6_166_a_b:Ce-Th +mp-1226485,CeThSi4,-6.4312801717,-0.5899102508,0.0020260325,0.0020260325,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Ce-Si-Th,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Ce-Si-Th, expected CeThSi8 to be CeThSi4" +mp-1183824,Ce3Th,-6.299307385,0.0039740438,0.0072725925,0.0072725925,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Th,4.0,A3B_tI8_139_ad_b:Ce-Th +mp-1226937,Ce3Th3Si4,-6.760156573,-0.5859451395,0.0043428826,0.0043428826,GGA,Amm2,A3B4C3_oC20_38_ae_2be_ad:Ce-Si-Th,10.0,A3B4C3_oC20_38_ae_2be_ad:Ce-Si-Th +mp-1101135,Ti2(InBr3)3,-4.0973027307,-1.3813534312,0.00333874,0.00333874,GGA,P6_3mc,A9B3C2_hP28_186_3c_a2b_2b:Br-In-Ti,28.0,"Invalid WP multiplicities - A9B3C2_hP28_186_5c_a4b_4b:Br-In-Ti, expected Ti4(InBr3)5 to be Ti2(InBr3)3" +mp-1200540,Ho4RuBr5,-5.2567721244,-1.7198541574,0.0,-0.0598204218,GGA,P4_2/nnm,A5B4C_tP80_134_k2mn_2mn_m:Br-Ho-Ru,80.0,A5B4C_tP80_134_k2mn_2mn_m:Br-Ho-Ru +mp-865288,TmTlRh2,-5.9729481575,-0.58117458,0.0,-0.0075118371,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tl-Tm,4.0,A2BC_cF16_225_c_a_b:Rh-Tl-Tm +mp-1097147,MgBe2Os,-2.31089599,2.7657223125,2.9310739421000003,2.9310739421000003,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Mg-Os,4.0,A2BC_oI8_71_e_a_b:Be-Mg-Os +mp-1093628,BeFePt2,-3.8766587025,2.2112664763,2.4888185655,2.4888185655,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Fe-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Fe-Pt +mp-1097456,Be2FePt,-3.124601825,2.38039324,2.7269501135,2.7269501135,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Fe-Pt,4.0,A2BC_oI8_71_e_a_b:Be-Fe-Pt +mp-20188,GdCuAs2,-7.7069996425,-0.8336082125000001,0.0,-0.0672805138,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Gd,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Gd +mp-1186249,Nd2InHg,-3.611563875,-0.463649135,0.0185896025,0.0185896025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Nd,4.0,ABC2_cF16_225_a_b_c:Hg-In-Nd +mp-638841,Eu(AsRh)2,-7.68021943,-0.81944856,0.0,-0.0771974373,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Eu-Rh,5.0,A2BC2_tI10_139_e_a_d:As-Eu-Rh +mp-22485,TbCuSb2,-4.9642035888,-0.7163097763,0.0,-0.0290399025,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-Tb,8.0,AB2C_tP8_129_a_bc_c:Cu-Sb-Tb +mp-1207362,Tb2CuSb3,-1.9496754083,2.3428150233,3.2325929342,3.2325929342,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Cu-Sb-Tb,6.0,AB3C2_tP6_123_a_bg_g:Cu-Sb-Tb +mp-1188547,Tb3Cu3Sb4,-5.0823897365,-0.8107174095,0.0,-0.029507827,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Cu-Sb-Tb,20.0,A3B4C3_cI40_220_a_c_b:Cu-Sb-Tb +mp-1209278,Tb3Cu20Sb11,-4.393826084,-0.2377600446,0.0330340007,0.0330340007,GGA,F-43m,A20B11C3_cF272_216_e3h_ab2eh_g:Cu-Sb-Tb,68.0,A20B11C3_cF272_216_e3h_ab2eh_g:Cu-Sb-Tb +mp-1223150,La4SnBi2,-5.3787174929,-0.8880634164000001,0.0019154036,0.0019154036,GGA,I-42d,A2B4C_tI28_122_d_e_a:Bi-La-Sn,14.0,A2B4C_tI28_122_d_e_a:Bi-La-Sn +mp-570686,SnBi,-3.8896262775,0.035404215,0.035404215,0.035404215,GGA,Cmce,AB_oC16_64_d_f:Bi-Sn,8.0,AB_oC16_64_d_f:Bi-Sn +mp-1218947,SnBi,-3.854430975,0.0705995175,0.0705995175,0.0705995175,GGA,Cmmm,AB_oC4_65_a_c:Bi-Sn,2.0,AB_oC4_65_a_c:Bi-Sn +mp-1218964,SnBi,-3.893286455,0.0317440375,0.0317440375,0.0317440375,GGA,I-4m2,AB_tI4_119_a_c:Bi-Sn,2.0,AB_tI4_119_a_c:Bi-Sn +mp-1039106,SnBi,-3.83223788,0.0927926125,0.0927926125,0.0927926125,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Sn,2.0,AB_cP2_221_a_b:Bi-Sn +mp-1039347,SnBi3,-3.786334075,0.0964257362,0.0964257362,0.0964257362,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Sn,4.0,A3B_tI8_139_ad_b:Bi-Sn +mp-978882,SnBi3,-3.8130291175,0.0697306937,0.0697306937,0.0697306937,GGA,Fm-3m,A3B_cF16_225_ac_b:Bi-Sn,4.0,A3B_cF16_225_ac_b:Bi-Sn +mp-1039344,Sn3Bi,-3.87262172,0.0946794537,0.0946794537,0.0946794537,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Sn,4.0,AB3_tI8_139_a_bd:Bi-Sn +mp-1187024,Sn3Bi,-3.881225435,0.0860757387,0.0860757387,0.0860757387,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Sn,4.0,AB3_cP4_221_a_c:Bi-Sn +mp-1038778,Sn3Bi,-3.88949651,0.0778046637,0.0778046637,0.0778046637,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-Sn,4.0,AB3_cF16_225_a_bc:Bi-Sn +mp-1093980,Sc2GaHg,-2.133585375,1.8655932744,2.38161228,2.38161228,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-Sc +mp-1093846,HfGaCu2,-2.92348873,2.3724358681,2.6593757825,2.6593757825,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Hf,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Hf +mp-1018714,HfGaCu,-6.0774171267,-0.3825865525,0.0,-0.0271076183,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ga-Hf,6.0,ABC_hP6_194_c_d_a:Cu-Ga-Hf +mp-1223908,Hf2Ga3Cu,-5.9424906817,-0.4261785487,0.0,-0.0051152804,GGA,Cm,AB3C2_mC12_8_a_3a_2a:Cu-Ga-Hf,6.0,AB3C2_mC12_8_a_3a_2a:Cu-Ga-Hf +mp-1224520,Hf3(Ga2Cu)2,-5.9791174322,-0.4032991522,0.0083487311,0.0083487311,GGA,Cm,A2B4C3_mC36_8_4a_8a_6a:Cu-Ga-Hf,18.0,A2B4C3_mC36_8_4a_8a_6a:Cu-Ga-Hf +mp-862699,ScTaOs2,-10.693494855,-0.5322494563,0.0,-0.1747686605,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Sc-Ta,4.0,A2BC_cF16_225_c_a_b:Os-Sc-Ta +mp-864789,Yb2SnHg,-2.5685393375,-0.7204221425,0.0,-0.07205895,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Sn-Yb,,ABC2_cF16_225_a_b_c:Hg-Sn-Yb +mp-1077226,YbSnHg,-2.513734725,-0.562781225,0.0,-0.0187281221,GGA,P6_3mc,ABC_hP6_186_b_b_a:Hg-Sn-Yb,,ABC_hP6_186_b_b_a:Hg-Sn-Yb +mp-978853,Sr(GeIr)2,-6.37537212,-0.6528886153,0.0,-0.230639147,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ir-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Ir-Sr +mp-1068235,SrGe3Ir,-5.426205916,-0.5468036763,0.0,-0.0706736571,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-Ir-Sr,5.0,A3BC_tI10_107_ab_a_a:Ge-Ir-Sr +mp-1192981,Eu(In2Au)2,-4.3917606625,-0.4186891311,0.0,-0.0132666154,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Au-Eu-In,28.0,A2BC4_oP28_62_2c_c_4c:Au-Eu-In +mp-19901,EuInAu,-6.1029656342,-0.6754431242000001,0.0,-0.0431612008,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Eu-In,12.0,ABC_oP12_62_c_c_c:Au-Eu-In +mp-1102671,EuIn4Au,-4.4639993392,-0.3743962192,0.0,-0.0055502102,GGA,Cmcm,ABC4_oC24_63_c_c_acf:Au-Eu-In,12.0,ABC4_oC24_63_c_c_acf:Au-Eu-In +mp-639496,EuIn2Au,-5.29652037,-0.5379575550000001,0.0,-0.0118441111,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-Eu-In,8.0,ABC2_oC16_63_c_c_f:Au-Eu-In +mp-606777,Eu(InAu)3,-4.508020265,-0.4603489807,0.0,-0.015271161,GGA,Pmmn,A3BC3_oP14_59_ae_b_ae:Au-Eu-In,14.0,"Invalid WP multiplicities - A3BC3_oP14_59_2a3e_b_2a2e:Au-Eu-In, expected Eu(In3Au4)2 to be Eu(InAu)3" +mp-866021,EuInAu2,-5.4853353275,-0.5962229450000001,0.014610548,0.014610548,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-In,4.0,A2BC_cF16_225_c_a_b:Au-Eu-In +mp-1200972,HfCrGe2,-7.6262519996,-0.4121789471,0.0,-0.0309308875,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Hf,48.0,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Hf +mp-1225589,ErFeNi4,-6.2844673467,-0.2580862233,0.0603194017,0.0603194017,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Er-Fe-Ni,6.0,ABC4_hP6_187_a_c_ek:Er-Fe-Ni +mp-1225564,ErFeNi,-6.536983025,-0.2643574583,0.0571807375,0.0571807375,GGA,Imma,ABC_oI12_74_e_a_c:Er-Fe-Ni,6.0,ABC_oI12_74_e_a_c:Er-Fe-Ni +mp-1185500,LuMgAg2,-3.25186281,-0.3052771658,0.0,-0.0427004051,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Lu-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Lu-Mg +mp-1189627,Th2FeSe5,-6.7007569219,-1.6035950346,0.0571135738,0.0571135738,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Fe-Se-Th,16.0,AB5C2_mC32_15_a_e2f_f:Fe-Se-Th +mp-569472,Gd2(Al3Ir)3,-7.1770770518,-0.8643820882000001,0.0,-0.1729165625,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Gd-Ir,28.0,"Invalid WP multiplicities - A9B2C3_oC56_63_2c2f3g4h_g_2a3e:Al-Gd-Ir, expected Gd(Al7Ir2)2 to be Gd2(Al3Ir)3" +mp-1097204,AlGaIr2,-3.760791355,2.3518436981,3.030819765,3.030819765,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ga-Ir,4.0,ABC2_oI8_71_a_b_e:Al-Ga-Ir +mp-1183158,AlGaIr2,-6.7757540175,-0.6631189644000001,0.0158571025,0.0158571025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ga-Ir,4.0,ABC2_cF16_225_a_b_c:Al-Ga-Ir +mp-1226862,Ce2Al3Sn,-4.9357817567,-0.4170354808,0.0787380514,0.0787380514,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Al-Ce-Sn,6.0,A3B2C_oP6_25_a2b_cd_a:Al-Ce-Sn +mp-984627,Dy2ZnHg,-3.0909443,-0.3966948863,0.0198099825,0.0198099825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Hg-Zn +mp-1184617,Ho2ZnAu,-4.0324503625,-0.607839525,0.0134191125,0.0134191125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Ho-Zn +mp-1025222,ZnPd5Se,-4.7725043914,-0.3932095146,0.0,-0.0181640823,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pd-Se-Zn,7.0,A5BC_tP7_123_ai_b_c:Pd-Se-Zn +mp-1097202,Ca2TlZn,-0.7028863925000001,1.2055102367,1.5519530712,1.5519530712,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Tl-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Tl-Zn +mp-1183461,Ca2TlZn,-2.2545055775,-0.3461089483,0.0003338862,0.0003338862,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Tl-Zn +mp-1185649,Mg16Al12Br,-2.5183729569,-0.0320136779,0.0924837434,0.0924837434,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-Br-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-Br-Mg, expected Mg26Al20Br to be Mg16Al12Br" +mp-1185646,Mg16Al12Br,-2.5141953262,-0.0278360472,0.0966613741,0.0966613741,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Br-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c5g:Al-Br-Mg, expected Mg76Al12Br to be Mg16Al12Br" +mp-1025238,Tm(TiGa2)2,-5.1541657686,-0.5285652619,0.0,-9.11706e-05,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:Ga-Ti-Tm,7.0,A4B2C_tI14_139_h_d_a:Ga-Ti-Tm +mp-1096102,Ti2CuRe,-4.8673055225,3.2163739496,3.48718288,3.4832460475,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Re-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Re-Ti +mp-1187436,Ti2CuRe,-8.3544884025,-0.2708089304,0.0,-0.0039368325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Cu-Re-Ti +mp-1222173,Mg3ScZn8,-1.9630174175,-0.1954125729,0.0,-0.0006981235,GGA,P3m1,A3BC8_hP12_156_a2b_a_2c2d:Mg-Sc-Zn,12.0,A3BC8_hP12_156_a2b_a_2c2d:Mg-Sc-Zn +mp-1093682,MgSc2Zn,-1.71974737,2.1614930975,2.3723282675,2.3723282675,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Mg-Sc-Zn +mp-1185961,MgScZn2,-2.9281390375000003,-0.3150799437,0.0,-0.0487020885,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Sc-Zn +mp-20436,TaSiRh,-9.0226754542,-0.8068742775000001,0.0,-0.1304956997,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Si-Ta,12.0,ABC_oP12_62_c_c_c:Rh-Si-Ta +mp-570147,Sc6Si11Ni18,-6.5055218763,-0.7422140706,0.0,-0.0241271867,GGA,Immm,A18B6C11_oI140_71_eg2l2n2o_2hmn_acfjlno:Ni-Sc-Si,70.0,"Invalid WP multiplicities - A18B6C11_oI140_71_2e2g8l7n13o_3h3m4n_ac2f2j4l4n6o:Ni-Sc-Si, expected Sc17Si45Ni86 to be Sc6Si11Ni18" +mp-27918,Sc3Si4Ni11,-6.40225412,-0.6089106247,0.0441253279,0.0441253279,GGA,P6_3/mmc,A11B3C4_hP36_194_fhk_h_bg:Ni-Sc-Si,36.0,"Invalid WP multiplicities - A11B3C4_hP36_194_f2h2k_h_2bg:Ni-Sc-Si, expected Sc3(SiNi4)5 to be Sc3Si4Ni11" +mp-3129,ScSi3Ni,-6.256147665,-0.5784356900000001,0.0,-0.0217361248,GGA,Cmmm,ABC3_oC20_65_g_h_2gh:Ni-Sc-Si,10.0,"Invalid WP multiplicities - ABC3_oC20_65_g_h_3g2h:Ni-Sc-Si, expected ScSi5Ni to be ScSi3Ni" +mp-3587,Sc(SiNi)2,-6.515570772,-0.7668950670000001,0.0,-0.0401377837,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Sc-Si,5.0,A2BC2_tI10_139_d_a_e:Ni-Sc-Si +mp-8392,Sc3Si3Ni,-6.697715145,-0.8329297043,0.0,-0.0025787771,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Ni-Sc-Si,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_6i_5i:Ni-Sc-Si, expected Sc6Si5Ni to be Sc3Si3Ni" +mp-11338,Sc3Si3Ni2,-6.7062457094,-0.8520413637,0.0,-0.0010612127,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Ni-Sc-Si,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_2c2f_cf:Ni-Sc-Si, expected Sc6Si3Ni2 to be Sc3Si3Ni2" +mp-22426,ScSiNi,-6.7109939925,-0.8650193875000001,0.0,-0.0471559522,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sc-Si,12.0,ABC_oP12_62_c_c_c:Ni-Sc-Si +mp-1219409,Sc4Si7Ni,-6.1955258433,-0.4382559008,0.2034741425,0.2034741425,GGA,Pmm2,AB4C7_oP12_25_a_abcd_a2b2c2d:Ni-Sc-Si,12.0,AB4C7_oP12_25_a_abcd_a2b2c2d:Ni-Sc-Si +mp-1103076,Sc3(SiNi)4,-6.6239817518,-0.8222339195,0.0,-0.0018164959,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ni-Sc-Si,11.0,A4B3C4_oI22_71_n_af_eh:Ni-Sc-Si +mp-567443,Sc4Si7Ni12,-6.4682129741,-0.7000067658,0.0394427334,0.0394427334,GGA,Immm,A12B4C7_oI138_71_eg2l2n2o_2hmn_afjlno:Ni-Sc-Si,69.0,"Invalid WP multiplicities - A12B4C7_oI138_71_2e2g8l7n13o_3h3m4n_a2f2j4l4n6o:Ni-Sc-Si, expected Sc34Si89Ni172 to be Sc4Si7Ni12" +mp-15605,ScSi3Ni2,-6.3235770892,-0.6287943300000001,0.0167177767,0.0167177767,GGA,I4/mmm,A2BC3_tI24_139_de_e_eg:Ni-Sc-Si,12.0,"Invalid WP multiplicities - A2BC3_tI24_139_de_e_e2g:Ni-Sc-Si, expected ScSi5Ni2 to be ScSi3Ni2" +mp-542486,Sc3(Si2Ni)2,-6.6168174969,-0.8102671864000001,0.0,-0.0280231069,GGA,Pnma,A2B3C4_oP36_62_2c_3c_4c:Ni-Sc-Si,36.0,A2B3C4_oP36_62_2c_3c_4c:Ni-Sc-Si +mp-5382,Sc6Si7Ni16,-6.5536356731000005,-0.7448692,0.0,-0.0564658093,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Ni-Sc-Si,29.0,A16B6C7_cF116_225_2f_e_ad:Ni-Sc-Si +mp-1095726,Nb2CuRe,-5.3020652525,3.8845207312,3.954565365,3.954565365,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Nb-Re,4.0,AB2C_oI8_71_a_e_b:Cu-Nb-Re +mp-631392,SrHfRe2,-8.3057265475,0.8282076658,1.1255264502,1.1255264502,GGA,F-43m,AB2C_cF16_216_a_bc_d:Hf-Re-Sr,4.0,AB2C_cF16_216_a_bc_d:Hf-Re-Sr +mp-1187589,Tm2TcAg,-5.7189402475,-0.1827237987,0.086070841,0.086070841,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Tc-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Tc-Tm +mp-1184242,ErTmRu2,-7.30212024,-0.4040304117,0.0,-0.0174110083,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Tm +mp-640956,Eu(Sb3Os)4,-6.2740512059,-0.1143755353,0.0358280192,0.0358280192,GGA,Im-3,AB4C12_cI34_204_a_c_g:Eu-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:Eu-Os-Sb +mp-865277,TmZrRu2,-8.460858055,-0.5677727717000001,0.0,-0.0425852581,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Tm-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Tm-Zr +mp-972455,TmLuIn2,-4.025948105,-0.4009097542,0.0,-0.006505165,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:In-Lu-Tm +mp-1097355,LaScAu2,-3.0091944825,1.44486557,2.2611203712,2.2611203712,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Sc,4.0,A2BC_oI8_71_e_a_b:Au-La-Sc +mp-865911,YbPmHg2,-2.300696915,-0.5763190819,0.0,-0.1258396256,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pm-Yb,,A2BC_cF16_225_c_a_b:Hg-Pm-Yb +mp-862898,PmCdPd2,-4.67147617,-0.6631772444,0.0,-0.018991475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Pm,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Pm +mp-1220225,NdCuAg,-4.13146206,-0.2314920247,0.0095744892,0.0095744892,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Cu-Nd,6.0,ABC_mC12_12_i_i_i:Ag-Cu-Nd +mp-1077428,NdCu4Ag,-4.1898835067,-0.190295154,0.0,-0.022895743,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Nd,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Nd +mp-1220530,Nd2(CuAg)5,-3.7723270308,-0.0894013449,0.1020212902,0.1020212902,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Ag-Cu-Nd,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_ei2j_hx_bc:Ag-Cu-Nd, expected Nd2Cu5Ag7 to be Nd2(CuAg)5" +mp-1219646,Sc19(RuBr7)4,-5.6993238347,-1.7601215525,0.0,-0.0871460921,GGA,R3m,A28B4C19_hR153_160_a5b2c_ab_a4bc:Br-Ru-Sc,51.0,"Invalid WP multiplicities - A28B4C19_hR153_160_a9b6c_ab_a6b3c:Br-Ru-Sc, expected Sc37(RuBr16)4 to be Sc19(RuBr7)4" +mp-865164,HfCdCu2,-4.868371205,-0.0987481725,0.0300241037,0.0300241037,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Cu-Hf,4.0,AB2C_cF16_225_a_c_b:Cd-Cu-Hf +mp-1208842,SmTeAs,-5.5280671025,-1.3543969581,0.0,-0.0757594017,GGA,Pnma,ABC_oP12_62_c_c_c:As-Sm-Te,12.0,ABC_oP12_62_c_c_c:As-Sm-Te +mp-1206558,Cs2As2Pt,-3.938593576,-0.5025586012000001,0.0,-0.1739926608,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-Cs-Pt,10.0,A2B2C_oC20_63_g_2c_a:As-Cs-Pt +mp-1096183,Zr2IrRh,-5.674024855,2.6505109725,3.4803703119,3.4803703119,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Ir-Rh-Zr +mp-1185403,LiPr2Ga,-3.915753925,-0.2910463252,0.0010321389,0.0010321389,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Pr,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Pr +mp-1185017,Li2PrGa,-3.1826670575,-0.2759551798,0.0136275533,0.0136275533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Li-Pr,4.0,AB2C_cF16_225_a_c_b:Ga-Li-Pr +mp-867191,Sm2TlCd,-3.5400922875000003,-0.3594159933,0.0,-0.0077224125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Sm-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Sm-Tl +mp-1019255,SmTlCd,-2.9826479933,-0.3146083128,0.0163888073,0.0163888073,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cd-Sm-Tl,6.0,ABC_hP6_194_c_a_d:Cd-Sm-Tl +mp-1217633,Tb3HoCo8,-6.4531800933,-0.1738426325,0.0190024504,0.0190024504,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Co-Ho-Tb,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Co-Ho-Tb, expected Tb3HoCo20 to be Tb3HoCo8" +mp-1217482,TbHoCo4,-6.47372537,-0.1987176783,0.0043149742,0.0043149742,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ho-Tb,6.0,A4BC_cF24_216_e_a_c:Co-Ho-Tb +mp-5166,Ca(AsPd)2,-5.078157104,-0.741437042,0.0,-0.0323161792,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Pd,5.0,A2BC2_tI10_139_e_a_d:As-Ca-Pd +mp-28763,CaAsPd,-4.8980266971,-0.9498266654,0.0,-0.0945687064,GGA,Pnma,ABC_oP48_62_4c_2d_4c:As-Ca-Pd,48.0,"Invalid WP multiplicities - ABC_oP48_62_6c_2d_5c:As-Ca-Pd, expected Ca4As6Pd5 to be CaAsPd" +mp-1019094,PrGeAu,-5.0526315033,-0.8266929667,0.0,-0.1020308082,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Pr,6.0,ABC_hP6_186_b_b_a:Au-Ge-Pr +mp-1209737,Pr2Ge6Au,-4.9208127033,-0.4126059656,0.08440727,0.08440727,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Pr,9.0,AB6C2_oC18_38_a_4a2b_2b:Au-Ge-Pr +mp-1185409,LiPmGa2,-3.6309252625,-0.452010954,0.0,-0.0274068413,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Pm,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Pm +mp-861947,LiPm2Ga,-3.9103545525,-0.300828669,0.0,-0.042022295,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Pm,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Pm +mp-983460,Li2PmGa,-3.17682012,-0.2776991004,0.0,-0.0151531535,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Li-Pm,4.0,AB2C_cF16_225_a_c_b:Ga-Li-Pm +mp-27882,Cs2GeCl6,-3.75459163,-1.8095857901,0.0,-0.0183380389,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Ge,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Ge +mp-22988,CsGeCl3,-3.92553261,-1.7127245686,0.0,-0.0840973575,GGA,R3m,A3BC_hR15_160_b_a_a:Cl-Cs-Ge,5.0,A3BC_hR15_160_b_a_a:Cl-Cs-Ge +mp-1078202,Yb2SnGe2,-3.884707177,-0.617738352,0.0,-0.031381904,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Sn-Yb,,A2BC2_tP10_127_g_a_h:Ge-Sn-Yb +mp-1207418,ZrFeAs,-7.9846095017,-0.7589960867000001,0.0025235733,0.0025235733,GGA,Pnma,ABC_oP12_62_c_c_c:As-Fe-Zr,12.0,ABC_oP12_62_c_c_c:As-Fe-Zr +mp-1220089,Ni4(GeAs3)3,-5.1036913381,-0.1710853425,0.028129709,0.028129709,GGA,Cm,A9B3C4_mC32_8_a4b_3a_2b:As-Ge-Ni,16.0,"Invalid WP multiplicities - A9B3C4_mC32_8_a7b_3a_2b:As-Ge-Ni, expected Ni4(GeAs5)3 to be Ni4(GeAs3)3" +mp-570118,YbTlSe2,-4.0271098625,-1.303591267,0.1128824531,0.1128824531,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Tl-Yb,,A2BC_hR12_166_c_a_b:Se-Tl-Yb +mp-1225355,EuZnPb,-5.4596827267,-0.3832185667,0.0113713305,0.0113713305,GGA,C2/m,ABC_mC12_12_i_i_i:Eu-Pb-Zn,6.0,ABC_mC12_12_i_i_i:Eu-Pb-Zn +mp-1211311,La2(Al3Ir)3,-5.8424015471,-0.8354373171,0.0,-0.1568126829,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-La,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-La +mp-971985,TbAlCu2,-4.4912039625,-0.346615145,0.0118851139,0.0118851139,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Tb,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Tb +mp-1217839,Tb(AlCu)6,-4.3365601885,-0.3594016423,0.0,-0.0454141293,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Tb,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Tb +mp-1217569,TbAlCu,-4.5399279583,-0.3802117583,0.0662680561,0.0123320817,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Tb,6.0,ABC_oI12_74_a_c_e:Al-Cu-Tb +mp-1079357,TbAlCu,-4.6061960144,-0.4464798144,0.0,-0.0539359744,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Tb,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Tb +mp-1104741,Tb(Al2Cu)4,-4.2360041546,-0.3132503531,0.0,-0.0219262754,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Tb,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Tb +mp-1217689,Tb2AlCu,-4.58364796,-0.305269285,0.0295905758,0.0295905758,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Cu-Tb,4.0,ABC2_tP4_123_a_b_h:Al-Cu-Tb +mp-1217579,TbAlCu4,-4.3781779483,-0.2487165133,0.02180419,0.02180419,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Tb,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Tb +mp-1208292,TbAl3Cu2,-4.4452040283,-0.43361954,0.0,-0.0252586323,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Cu-Tb,6.0,A3B2C_hP6_191_g_c_a:Al-Cu-Tb +mp-1067925,SrSi3Au,-4.568102252,-0.3202363433,0.020535021,0.020535021,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-Si-Sr,5.0,AB3C_tI10_107_a_ab_a:Au-Si-Sr +mp-7365,Sr(SiAu)2,-4.30811493,-0.4905362273,0.0,-0.048020858,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Au-Si-Sr +mp-1096361,MnSi2Tc,-5.1078940225,2.4854285518,2.968458263,2.968458263,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Mn-Si-Tc +mp-864970,MnSiTc2,-9.197030235,-0.369877432,0.0,-0.1023227513,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Si-Tc,4.0,ABC2_cF16_225_a_b_c:Mn-Si-Tc +mp-863716,Pm2IrPd,-6.6327972325,-0.7529470737,0.0,-0.4814729398,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Pm,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Pm +mp-973788,Ho2CuTc,-6.023526115,-0.1173602762,0.0928822694,0.0928822694,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Tc,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Tc +mp-1093832,CdCu2Rh,-2.0836983425,2.0377044,2.0377044,2.0377044,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Cu-Rh,4.0,AB2C_oI8_71_a_e_b:Cd-Cu-Rh +mp-675510,As4Pd5Pb,-5.116673037,-0.291820063,0.0519945269,0.0519945269,GGA,Cc,A4BC5_mC40_9_4a_a_5a:As-Pb-Pd,20.0,A4BC5_aP20_1_8a_2a_10a:As-Pb-Pd +mp-936855,As4Pd5Pb,-5.1138388145,-0.2889858405,0.0548287494,0.0548287494,GGA,C2/c,A4BC5_mC40_15_2f_e_a2f:As-Pb-Pd,20.0,"Invalid WP multiplicities - A4BC5_mC40_15_4f_e_2c7f:As-Pb-Pd, expected As8Pd16Pb to be As4Pd5Pb" +mp-20257,AsPd3Pb2,-4.9379132583,-0.3339035958,0.0,-0.038498434,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:As-Pb-Pd,12.0,"Invalid WP multiplicities - AB2C3_oC24_36_a_b_a2b:As-Pb-Pd, expected AsPd5Pb2 to be AsPd3Pb2" +mp-1228756,AsPd6Pb,-5.1542583237,-0.2228762819,0.1094510822,0.1094510822,GGA,R-3m,ABC6_hR24_166_a_b_3c:As-Pb-Pd,8.0,"Invalid WP multiplicities - ABC6_hR24_166_a_b_4c:As-Pb-Pd, expected AsPd8Pb to be AsPd6Pb" +mp-1228991,As3Pd4Pb,-5.139306195,-0.3381150044,0.0046376933,0.0046376933,GGA,Imm2,A3BC4_oI16_44_ac_b_2c:As-Pb-Pd,8.0,"Invalid WP multiplicities - A3BC4_oI16_44_ac_b_3c:As-Pb-Pd, expected As3Pd6Pb to be As3Pd4Pb" +mp-1189843,Np2Tc3Ge4,-8.6635614639,-0.2780517286,0.0,-0.1550875681,GGA,P2_1/c,A4B2C3_mP18_14_2e_e_ae:Ge-Np-Tc,18.0,A4B2C3_mP18_14_2e_e_ae:Ge-Np-Tc +mp-972478,TmLuHg2,-2.8723547925,-0.4713181242,0.005548995,0.005548995,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Tm +mp-862897,PmCdPt2,-5.193094235,-0.7391695544,0.0,-0.5731698506,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pm-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Pm-Pt +mp-1093899,ZrCdPt2,-3.86482237,1.5383918875,2.3253368433,2.3253368433,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Pt-Zr,4.0,AB2C_oI8_71_a_e_b:Cd-Pt-Zr +mp-1013716,Ba3BiAs,-3.17240839,-0.321101919,0.6776658785,0.6776658785,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ba-Bi,5.0,AB3C_cP5_221_a_c_b:As-Ba-Bi +mp-1013563,Ba3BiAs,-3.687723918,-0.8364174470000001,0.1623503505,0.1623503505,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ba-Bi,5.0,AB3C_cP5_221_b_c_a:As-Ba-Bi +mp-865147,Be2CuRu,-5.461334145,-0.24822541,0.00084025,0.00084025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Cu-Ru,4.0,A2BC_cF16_225_c_a_b:Be-Cu-Ru +mp-1093801,Sc2OsRh,-5.373317115,2.4408362625,3.1445392939,3.1445392939,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Os-Rh-Sc +mp-1186957,Sc2OsRh,-8.5143873925,-0.700234015,0.0034690164,0.0034690164,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Os-Rh-Sc +mp-1186573,PmGaRh2,-6.30024048,-0.6734269588,0.0,-0.206454135,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Pm-Rh +mp-1093867,GaTc2Ge,-4.3620614025,2.7310390394,2.7775984,2.7775984,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Ge-Tc,4.0,ABC2_oI8_71_a_b_e:Ga-Ge-Tc +mp-686076,Ga6Te10Pb,-3.7270904318,-0.5909561883000001,0.0,-0.0108614262,GGA,P3_221,A6BC10_hP102_154_6c_c_ab9c:Ga-Pb-Te,102.0,"Invalid WP multiplicities - A6BC10_hP102_154_20c_c_2a3b27c:Ga-Pb-Te, expected Ga40Te59Pb2 to be Ga6Te10Pb" +mp-975656,Pr2NiIr,-6.447584185,-0.4024885925,0.0826204919,0.0826204919,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Pr,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Pr +mp-1218349,SrAg3Pd2,-3.7523540117,-0.3278664978,0.0,-0.0100092383,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ag-Pd-Sr,6.0,A3B2C_hP6_191_g_c_a:Ag-Pd-Sr +mp-1093561,Sr2AgPd,-1.985277475,0.862578705,1.3251850222,1.3251850222,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pd-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Pd-Sr +mp-1097347,Ga2RuPt,-3.4933023025,1.8571296738,2.3271416888,2.3271416888,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Pt-Ru,4.0,A2BC_oI8_71_e_a_b:Ga-Pt-Ru +mp-1184318,Ga2RuPt,-5.7912527475,-0.4408207712,0.0291912438,0.0291912438,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Ga-Pt-Ru +mp-1093947,Sr2CuPd,-2.1167402825,1.0477785642,1.4038673781,1.4038673781,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pd-Sr,4.0,ABC2_oI8_71_a_b_e:Cu-Pd-Sr +mp-2726,SrCu5,-3.760327725,-0.0627399244,0.0,-0.0275405829,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Cu-Sr, expected SrCu8 to be SrCu5" +mp-1025402,SrCu,-2.9999480862,-0.1055980246,0.0,-0.0679540699,GGA,P6_3/mmc,AB_hP8_194_bc_f:Cu-Sr,8.0,AB_hP8_194_bc_f:Cu-Sr +mp-1187104,Sr3Cu,-2.046260275,0.2456614825,0.2984604948,0.2984604948,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Sr,4.0,AB3_cP4_221_a_c:Cu-Sr +mp-1096349,MnTlPd2,-3.92978224,1.5413232747,1.7407220939,1.7407220939,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Mn-Pd-Tl +mp-1025294,CdAsPd5,-4.8845386643,-0.3871933479,0.0,-0.0434586568,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-Cd-Pd,7.0,ABC5_tP7_123_b_c_ai:As-Cd-Pd +mp-1096749,Sc2InGa,-2.60677796,2.0044015306,2.5220856375,2.5220856375,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-In-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-In-Sc +mp-867346,ThCdHg2,-2.47654859,-0.240521405,0.0,-0.0330945129,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Th,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Th +mp-571000,Th(GeOs)2,-8.262912524,-0.43998276,0.0,-0.057119801,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Os-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Os-Th +mp-1222348,LiEu2Ga7,-4.818633119,-0.4566732566,0.0,-0.0015607778,GGA,P-4m2,A2B7C_tP10_115_g_abc2g_d:Eu-Ga-Li,10.0,"Invalid WP multiplicities - A2B7C_tP10_115_g_abc4g_d:Eu-Ga-Li, expected LiEu2Ga11 to be LiEu2Ga7" +mp-1018942,PrTlCd,-3.02667707,-0.3378641828,0.0160364093,0.0160364093,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cd-Pr-Tl,6.0,ABC_hP6_194_c_a_d:Cd-Pr-Tl +mp-861594,Pr2TlCd,-3.5639168375,-0.3520807333,0.003556575,0.003556575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pr-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Pr-Tl +mp-13203,ScCuSn,-5.3545721167,-0.5408229067,0.0,-0.1247940854,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Sc-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Sc-Sn +mp-1072944,ScCu4Sn,-4.6616707533,-0.2051928133,0.06521864,0.06521864,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Sc-Sn,6.0,A4BC_cF24_216_e_a_c:Cu-Sc-Sn +mp-1093770,MnGaPd2,-4.0736409675,1.5638277661000002,2.0478857111,2.0478857111,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Ga-Mn-Pd +mp-1222045,MnGaPd2,-5.98170315,-0.3442344164,0.1398235286,0.1398235286,GGA,P4mm,ABC2_tP4_99_a_b_ab:Ga-Mn-Pd,4.0,ABC2_tP4_99_a_b_ab:Ga-Mn-Pd +mp-1186004,MnGaPd2,-6.1054010875,-0.4679323539,0.0161255911,0.0161255911,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Ga-Mn-Pd +mp-1221400,Mn5Ga4Pd3,-6.3658755433,-0.2440333783,0.110661888,0.110661888,GGA,P-6m2,A4B5C3_hP12_187_abh_c2i_dg:Ga-Mn-Pd,12.0,"Invalid WP multiplicities - A4B5C3_hP12_187_abh_c4i_dg:Ga-Mn-Pd, expected Mn9Ga4Pd3 to be Mn5Ga4Pd3" +mp-1096629,Li2TlHg,-0.8935825,0.7274598113,1.0306539,1.0291567,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Tl +mp-1222616,Li2TlHg,-1.9222173925,-0.3011750812,0.0020190075,0.0005218075,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Hg-Li-Tl,4.0,AB2C_tP4_123_a_h_b:Hg-Li-Tl +mp-1184956,Li2TlHg,-1.9242364,-0.3031940888,0.0,-0.0014972,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Li-Tl +mp-1097144,LiTlHg2,-0.6488968775,0.5708348083,0.7699648844,0.7699648844,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Tl,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Tl +mp-1095802,MgMnPd2,-3.641548035,1.6389667055,2.1145550925,2.1108631117,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Mg-Mn-Pd +mp-1185892,MgMnPd2,-5.7561031275,-0.475588387,0.0,-0.0036919808,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Mg-Mn-Pd +mp-1096479,MgAgAu2,-1.86819878,0.8769512333,1.2326539156,1.2326539156,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Mg,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Mg +mp-1185824,MgAgAu2,-3.09139444,-0.3462444267,0.0094582556,0.0094582556,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Mg,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Mg +mp-864978,Mg2AgAu,-2.770424885,-0.4436753592,0.0,-0.0147806125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Mg +mp-1185712,Mg16Al12Tc,-2.7972835162000003,-0.0072135264,0.0862176474,0.0862176474,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Tc,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Tc, expected Mg49Al39Tc to be Mg16Al12Tc" +mp-1097444,TiCdRh2,-4.137870755,1.7488786242,2.2913080912,2.2913080912,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Rh-Ti,4.0,AB2C_oI8_71_a_e_b:Cd-Rh-Ti +mp-862723,ScTc2Mo,-9.654386735,-0.1795374587,0.0492382169,0.0492382169,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Mo-Sc-Tc +mp-1193889,HoBe13,-3.9859399414,-0.1863130761,0.0,-0.1863130761,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Ho,28.0,A13B_cF112_226_bi_a:Be-Ho +mp-1223886,HoBeCu4,-4.2747460083,-0.1549712725,0.049313303,0.049313303,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Ho,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Ho +mp-1183316,Ba3Mo,-3.260250785,0.8903929475000001,0.8903929475000001,0.8903929475000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Mo,4.0,A3B_cF16_225_ac_b:Ba-Mo +mp-631521,BaHfMo,-6.38675921,1.1871788167,1.2730831717,1.2730831717,GGA,F-43m,ABC_cF12_216_a_b_c:Ba-Hf-Mo,3.0,ABC_cF12_216_a_b_c:Ba-Hf-Mo +mp-1097392,Hf2MnTc,-6.27734722,3.5819108543,3.9227168772,3.9227168772,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mn-Tc,4.0,A2BC_oI8_71_e_a_b:Hf-Mn-Tc +mp-1226679,CeZr3Mn8,-8.8143950558,-0.0750356074,0.0655258191,0.0655258191,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Ce-Mn-Zr,12.0,AB8C3_hP12_156_a_2b2d_a2c:Ce-Mn-Zr +mp-1095884,LiTaOs2,-5.39840786,3.6569509792,3.7969490911,3.7969490911,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Os-Ta,4.0,AB2C_oI8_71_a_e_b:Li-Os-Ta +mp-1097511,LiTa2Os,-5.0551430575,4.1578183317,4.3827958946,4.3827958946,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Os-Ta,4.0,ABC2_oI8_71_a_b_e:Li-Os-Ta +mp-1018076,Ga2BiAs,-3.7632076775,-0.1242577825,0.0520010356,0.0520010356,GGA,P-4m2,ABC2_tP4_115_a_c_g:As-Bi-Ga,4.0,ABC2_tP4_115_a_c_g:As-Bi-Ga +mp-1224784,Ga2BiAs,-3.7468430125,-0.1078931175,0.0683657006,0.0683657006,GGA,R3m,ABC2_hR12_160_a_a_2a:As-Bi-Ga,4.0,ABC2_hR12_160_a_a_2a:As-Bi-Ga +mp-1224862,Ga4Bi3As,-3.5431676425000003,-0.0065464069,0.0815830022,0.0815830022,GGA,R3m,AB3C4_hR24_160_a_3a_4a:As-Bi-Ga,8.0,AB3C4_hR24_160_a_3a_4a:As-Bi-Ga +mp-1224831,Ga4BiAs3,-3.95018183,-0.2089032756,0.0554849516,0.0554849516,GGA,Amm2,A3BC4_oC16_38_ae_a_2bd:As-Bi-Ga,8.0,A3BC4_oC16_38_ae_a_2bd:As-Bi-Ga +mp-1079228,Ga4BiAs3,-3.951926085,-0.2106475306,0.0537406966,0.0537406966,GGA,P-43m,A3BC4_cP8_215_c_a_e:As-Bi-Ga,8.0,A3BC4_cP8_215_c_a_e:As-Bi-Ga +mp-1096583,Ta2ReRh,-6.6936163575,4.1874812212,4.5311190241,4.5311190241,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Rh-Ta,4.0,ABC2_oI8_71_a_b_e:Re-Rh-Ta +mp-1096031,Ba2TlAu,-1.537479385,0.8311393717000001,1.3565202717,1.3565202717,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ba-Tl,4.0,AB2C_oI8_71_a_e_b:Au-Ba-Tl +mp-1227345,BaTl3Au,-2.787968186,-0.33181091,0.0119938063,0.0119938063,GGA,I4mm,ABC3_tI10_107_a_a_ab:Au-Ba-Tl,5.0,ABC3_tI10_107_a_a_ab:Au-Ba-Tl +mp-31071,Ba2Tl7Au,-2.6563074902,-0.2912740996,0.0022977499,0.0022977499,GGA,Pnma,AB2C7_oP40_62_c_2c_7c:Au-Ba-Tl,40.0,AB2C7_oP40_62_c_2c_7c:Au-Ba-Tl +mp-1228331,Ba2Tl3Au,-2.8132970783,-0.4466701917,0.0316757375,0.0316757375,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Au-Ba-Tl,,AB2C3_mC12_8_a_2a_3a:Au-Ba-Tl +mp-1226987,Ce2Ga5Au3,-4.152668556,-0.4698381137,0.0793906822,0.0793906822,GGA,P-4m2,A3B2C5_tP10_115_ag_g_bcdg:Au-Ce-Ga,10.0,A3B2C5_tP10_115_ag_g_bcdg:Au-Ce-Ga +mp-1226631,CeGa3Au,-4.216508252,-0.5582564075,0.0,-0.062016181,GGA,I4mm,ABC3_tI10_107_a_a_ab:Au-Ce-Ga,5.0,ABC3_tI10_107_a_a_ab:Au-Ce-Ga +mp-862324,Sc2GaTc,-6.950229345,-0.4368110506,0.03582183,0.03582183,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Ga-Sc-Tc +mp-972046,Yb2HgBi,-2.5194676525,-0.7136211387,0.0125672523,0.0125672523,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Hg-Yb,,ABC2_cF16_225_a_b_c:Bi-Hg-Yb +mp-862963,PmSnPd2,-5.5889886725,-0.8090192231000001,0.0,-0.1018716725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Pd-Pm-Sn +mp-864628,Pm2SnPd,-5.372218305,-0.6995837275,0.0,-0.0770966063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Pd-Pm-Sn +mp-1212874,Er2(Ga3Ir)3,-5.1522250054,-0.6591104080000001,0.0,-0.107132932,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Ir,28.0,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Ir +mp-1104360,Er3Ga8Ir3,-5.2537853243,-0.6506976707000001,0.0596610918,0.0596610918,GGA,Immm,A3B8C3_oI28_71_ag_2n_bf:Er-Ga-Ir,14.0,A3B8C3_oI28_71_ag_2n_bf:Er-Ga-Ir +mp-1102196,ErGaIr,-6.37709759,-0.8990145858,0.0,-0.1157422692,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ga-Ir,12.0,ABC_oP12_62_c_c_c:Er-Ga-Ir +mp-1184986,Li2NdGa,-3.18027787,-0.2767555729,0.0173343583,0.0173343583,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Li-Nd,4.0,AB2C_cF16_225_a_c_b:Ga-Li-Nd +mp-1222551,Li3NdGa8,-3.2465765617,-0.353269544,0.0102324148,0.0102324148,GGA,P6/mmm,A8B3C_hP12_191_2h_ae_b:Ga-Li-Nd,12.0,"Invalid WP multiplicities - A8B3C_hP12_191_5h_a2e_b:Ga-Li-Nd, expected Li5NdGa20 to be Li3NdGa8" +mp-865578,LiNd2Ga,-3.9136014825,-0.295273044,0.0037416078,0.0037416078,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Nd,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Nd +mp-1205950,TbCdAu,-3.6026980067,-0.6589853867000001,0.0,-0.0490017133,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Tb,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Tb +mp-977376,TbCdAu2,-3.6982774775,-0.6720225125,0.0,-0.0280130225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Tb,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Tb +mp-978986,Sr(GePd)2,-4.97254442,-0.7134818633000001,0.0,-0.1416867858,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-Sr +mp-978987,SrGe3Pd,-4.70062116,-0.5529293943,0.0,-0.047735759,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-Pd-Sr,5.0,A3BC_tI10_107_ab_a_a:Ge-Pd-Sr +mp-1219661,Rb(GePt)4,-5.32673158,-0.4648228275,0.0,-0.0483438342,GGA,I4,A4B4C_tI18_79_c_c_a:Ge-Pt-Rb,9.0,A4B4C_tI18_79_c_c_a:Ge-Pt-Rb +mp-1101803,NdGaPd,-5.1650225108,-0.8396474225,0.0,-0.0460010228,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Nd-Pd,12.0,ABC_oP12_62_c_c_c:Ga-Nd-Pd +mp-1193335,Nd2Ga12Pd,-3.8235552887,-0.4200000257,0.0,-0.006189578,GGA,P4/nbm,A12B2C_tP30_125_2g2m_h_c:Ga-Nd-Pd,30.0,A12B2C_tP30_125_2g2m_h_c:Ga-Nd-Pd +mp-1220350,Nd2Ga7Pd,-4.16048358,-0.5691986968,0.0217632063,0.0217632063,GGA,P-4m2,A7B2C_tP10_115_abc2g_g_d:Ga-Nd-Pd,10.0,"Invalid WP multiplicities - A7B2C_tP10_115_abc4g_g_d:Ga-Nd-Pd, expected Nd2Ga11Pd to be Nd2Ga7Pd" +mp-1188832,NdGaPd2,-5.3971879081,-0.8581861394,0.0,-0.0642656433,GGA,Pnma,ABC2_oP16_62_c_c_d:Ga-Nd-Pd,16.0,ABC2_oP16_62_c_c_d:Ga-Nd-Pd +mp-1220159,NdGa3Pd,-4.493589418,-0.687125956,0.0,-0.0063054715,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-Nd-Pd,5.0,A3BC_tI10_119_af_c_b:Ga-Nd-Pd +mp-20615,EuGePd,-7.4826818,-0.796044645,0.0,-0.0404457458,GGA,P2_1/c,ABC_mP12_14_e_e_e:Eu-Ge-Pd,12.0,ABC_mP12_14_e_e_e:Eu-Ge-Pd +mp-1188312,EuGePd2,-7.0854378663,-0.7754895475,0.0,-0.063017741,GGA,Pnma,ABC2_oP16_62_c_c_d:Eu-Ge-Pd,16.0,ABC2_oP16_62_c_c_d:Eu-Ge-Pd +mp-1068422,EuGe3Pd,-6.448426666,-0.587233231,0.0,-0.074617579,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-Ge-Pd,5.0,AB3C_tI10_107_a_ab_a:Eu-Ge-Pd +mp-1206838,Tm2GaCo2,-5.69474551,-0.4554650182,0.0,-0.048372178,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Tm,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Tm +mp-1025257,TmGa5Co,-4.2780944714,-0.4602897099,0.0,-0.0222932271,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Tm,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Tm +mp-1102278,Tm2Ga8Co,-4.1343408591,-0.4720902389,0.0093417927,0.0093417927,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Tm,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Tm +mp-1201307,Tm6(Ga3Co)7,-4.5995451053,-0.4759200001,0.0122210131,0.0122210131,GGA,P4/mbm,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Tm,68.0,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Tm +mp-1194327,Tm2(Ga3Co)3,-4.5854722471,-0.4762230733,0.0,-0.0287171606,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Tm,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Tm +mp-971844,Tm6GaCo2,-5.2200385039,-0.3200669314,0.0,-0.0340822969,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Tm,18.0,"Invalid WP multiplicities - A2BC6_oI36_71_2fg_ab_2l2m3n:Co-Ga-Tm, expected Tm14GaCo3 to be Tm6GaCo2" +mp-540856,Tm8Ga3Co,-4.7570891467,-0.4238150426,0.0,-0.0204855889,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Tm,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Tm +mp-1207014,TbMgPd,-4.4946816333,-0.68983898,0.0,-0.0413393756,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pd-Tb,9.0,ABC_hP9_189_f_bc_g:Mg-Pd-Tb +mp-16652,Tb2MgPd2,-5.019227923,-0.7734727490000001,0.006931017,0.006931017,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Pd-Tb,10.0,AB2C2_tP10_127_a_g_h:Mg-Pd-Tb +mp-1078760,DySnPt,-5.9853909022,-1.0895602306,0.0,-0.1866618457,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Pt-Sn,9.0,ABC_hP9_189_f_ad_g:Dy-Pt-Sn +mp-1095963,Hf2MnZn,-4.3949769625,3.189057278,3.4042322094,3.4042322094,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mn-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Mn-Zn +mp-867921,Sm2ZnRu,-5.269953895,-0.27712429,0.0235326662,0.0235326662,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Ru-Sm-Zn +mp-961680,NbAlPt,-6.6986467767,-0.0593087133,0.6626820433,0.6626820433,GGA,F-43m,ABC_cF12_216_a_c_b:Al-Nb-Pt,3.0,ABC_cF12_216_a_c_b:Al-Nb-Pt +mp-1097379,TiNb2Mo,-5.47932001,4.2566180417,4.3057016761,4.3057016761,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Ti,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Ti +mp-1096197,Ti2NbMo,-5.197794185,3.9866906108,4.0357742453,4.0357742453,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-Ti +mp-1217485,TbMnAl,-6.0716518967,-0.2243328226,0.0531192882,0.0531192882,GGA,Imma,ABC_oI12_74_a_c_e:Al-Mn-Tb,6.0,ABC_oI12_74_a_c_e:Al-Mn-Tb +mp-1217692,Tb2Mn3Al,-6.7489601683,0.001098816,0.1421965656,0.1421965656,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Mn-Tb,6.0,AB3C2_hR18_166_a_d_c:Al-Mn-Tb +mp-1217834,Tb(MnAl)6,-6.5556109469,-0.2417714983,0.045882983,0.045882983,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Mn-Tb,13.0,A6B6C_oI26_71_efg_hk_a:Al-Mn-Tb +mp-1104796,Tb(MnAl2)4,-5.8222537369000005,-0.3417126671,0.0,-0.0106169319,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Tb,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Tb +mp-1206684,TiSnRh,-6.5407194767,-0.1175955628,0.4378601118,0.4378601118,GGA,F-43m,ABC_cF12_216_a_b_c:Rh-Sn-Ti,3.0,ABC_cF12_216_a_b_c:Rh-Sn-Ti +mp-1216641,TiSnRh,-6.9744503167000005,-0.5513264028,0.0041292718,0.0041292718,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Rh-Sn-Ti +mp-865707,TiSnRh2,-7.315000865,-0.6565809621,0.0,-0.0205065866,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Ti +mp-1217195,Ti5Nb5Ge6,-7.9042924769,-0.546657951,0.0412337875,0.0412337875,GGA,Amm2,A6B5C5_oC32_38_abde_af_bde:Ge-Nb-Ti,16.0,A6B5C5_oC32_38_abde_af_bde:Ge-Nb-Ti +mp-1213598,Ho13(Mg2Zn27)2,-2.1940318842,-0.3067277934,0.0077691426,0.0077691426,GGA,P6_3/mmc,A13B4C54_hP142_194_a2hk_cg_bfhij4kl:Ho-Mg-Zn,142.0,A13B4C54_hP142_194_a2hk_cg_bfhij4kl:Ho-Mg-Zn +mp-567204,Ho8Mg12Zn61,-1.8108529756,-0.1724950525,0.0620148361,0.0620148361,GGA,Im-3,A8B12C61_cI162_204_f_g_a2e2gh:Ho-Mg-Zn,81.0,"Invalid WP multiplicities - A8B12C61_cI162_204_f_g_a10e22g14h:Ho-Mg-Zn, expected Ho8Mg12Zn661 to be Ho8Mg12Zn61" +mp-861981,HoMgZn2,-2.5163983625,-0.3408543275,0.0,-0.0397859587,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Mg-Zn +mp-5090,Ti2FeSe4,-6.62564273,-1.1621211366,0.06046026,0.06046026,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-Se-Ti,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_4i_i:Fe-Se-Ti, expected Ti2FeSe8 to be Ti2FeSe4" +mp-1192831,Ti2FeSe4,-6.6124668039,-1.1489452105,0.0736361861,0.0736361861,GGA,P-3m1,AB4C2_hP28_164_af_2d2i_ci:Fe-Se-Ti,28.0,AB4C2_hP28_164_af_2d2i_ci:Fe-Se-Ti +mp-1208241,Ti4FeSe8,-6.5280983977,-1.2958460055,0.0207801138,0.0207801138,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Fe-Se-Ti,13.0,AB8C4_mC26_12_a_2ij_hi:Fe-Se-Ti +mp-961660,TiFeSe,-7.3606653833,-0.7401904819,0.1959921525,0.1959921525,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Se-Ti,3.0,ABC_cF12_216_c_a_b:Fe-Se-Ti +mp-1101116,Ti(FeSe2)2,-6.1444550714,-0.598857879,0.3026721114,0.3026721114,GGA,P1,A2B4C_aP7_1_2a_4a_a:Fe-Se-Ti,7.0,A2B4C_aP7_1_2a_4a_a:Fe-Se-Ti +mp-675929,Ti(FeSe2)2,-6.3166231429,-0.7710259504,0.13050404,0.13050404,GGA,P-1,A2B4C_aP7_2_i_2i_a:Fe-Se-Ti,7.0,"Invalid WP multiplicities - A2B4C_aP7_2_i_4i_a:Fe-Se-Ti, expected Ti(FeSe4)2 to be Ti(FeSe2)2" +mp-1217350,Ti(FeSe2)2,-6.3655548171,-0.8199576247,0.0815723657,0.0815723657,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Fe-Se-Ti,7.0,A2B4C_mC14_8_2a_4a_a:Fe-Se-Ti +mp-1184525,GdPaRu2,-10.890221575,-0.35532358,0.0,-0.162840025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Gd-Pa-Ru +mp-1097267,Be2RuRh,-3.05473354,2.974650495,3.4030912863,3.4030912863,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Rh-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Rh-Ru +mp-1213732,CrSn4Au,-4.8272988033,0.000237345,0.0667095831,0.0667095831,GGA,P4/mcc,ABC4_tP12_124_b_c_m:Au-Cr-Sn,12.0,ABC4_tP12_124_b_c_m:Au-Cr-Sn +mp-1226400,Cr2Sn9Au,-4.6182110217,0.2706326146,0.3038687336,0.3038687336,GGA,P4/m,AB2C9_tP12_83_a_cd_bjk:Au-Cr-Sn,12.0,AB2C9_tP12_83_a_cd_bjk:Au-Cr-Sn +mp-1186087,Na3Tc,-2.5902933125,0.9917603938,0.9917603938,0.9917603938,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Tc,4.0,A3B_tI8_139_ad_b:Na-Tc +mp-1186008,Na3Tc,-2.5917266162,0.9903270901,0.9903270901,0.9903270901,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Tc,8.0,A3B_hP8_194_h_c:Na-Tc +mp-1185997,Na3Tc,-2.583546085,0.9985076213,0.9985076213,0.9985076213,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Tc,4.0,A3B_cF16_225_ac_b:Na-Tc +mp-1202184,NaTc12Br25,-5.2165463889,-0.8882332078,0.0,-0.0717350716,GGA,P-1,A25BC12_aP38_2_a12i_e_6i:Br-Na-Tc,38.0,A25BC12_aP38_2_a12i_e_6i:Br-Na-Tc +mp-570480,TcBr4,-4.0958431505,-0.7812926975000001,0.0,-0.099950912,GGA,Pbca,A4B_oP40_61_4c_c:Br-Tc,40.0,"Invalid WP multiplicities - A4B_oP40_61_25c_c:Br-Tc, expected TcBr25 to be TcBr4" +mp-568753,TcBr3,-4.6066082156,-0.8516772319,0.0,-0.119215328,GGA,Pmmn,A3B_oP16_59_ab2e_f:Br-Tc,16.0,"Invalid WP multiplicities - A3B_oP16_59_2ab4e_f:Br-Tc, expected Tc2Br11 to be TcBr3" +mp-1205299,TcBr3,-4.5919303825,-0.8369993988000001,0.0146778331,-0.1045374948,GGA,P6_3/mcm,A3B_hP8_193_g_b:Br-Tc,8.0,A3B_hP8_193_g_b:Br-Tc +mp-977138,NaTc3,-7.3396726475,0.7614378846000001,0.7614378846000001,0.7614378846000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Tc,4.0,AB3_cF16_225_a_bc:Na-Tc +mp-1220705,Nb2CrMo2,-10.249686866,0.059704688,0.119144332,0.119144332,GGA,Fmm2,AB2C2_oF20_42_a_2a_2a:Cr-Mo-Nb,5.0,AB2C2_oF20_42_a_2a_2a:Cr-Mo-Nb +mp-1097328,Nb2CrMo,-6.00980724,4.165519675,4.21371972,4.21371972,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mo-Nb,4.0,ABC2_oI8_71_a_b_e:Cr-Mo-Nb +mp-864805,Nd2CuIr,-6.0389250125,-0.4204410838,0.0556718375,0.0556718375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Nd,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Nd +mp-982929,Pm2AgRh,-5.3971586575,-0.4726715279,0.0,-0.2824010517,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Rh +mp-1095425,LiEuSb,-6.4486680417,-1.0170260728,0.0,-0.1003312293,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Li-Sb,12.0,ABC_oP12_62_c_c_c:Eu-Li-Sb +mp-1217861,Tb(Fe5Re)2,-8.8194060508,-0.0329727762,0.0122032342,0.0122032342,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Re-Tb,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Re-Tb +mp-1217548,TbFe11Re,-8.4955085746,-0.0148065288,0.0161502369,0.0161502369,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Re-Tb,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Re-Tb +mp-1184075,Er2AgHg,-3.4799549025,-0.4120364054,0.003646185,0.003646185,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Hg,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Hg +mp-864646,ErAgHg2,-2.3222855825,-0.3203766967,0.0,-0.0153200497,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Er-Hg,4.0,ABC2_cF16_225_a_b_c:Ag-Er-Hg +mp-1018764,Li3HoSb2,-3.9666138383,-0.8720838467,0.0,-0.0181899917,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Ho-Li-Sb,6.0,AB3C2_hP6_164_a_bd_d:Ho-Li-Sb +mp-20888,TmGeRu,-6.8615878717,-0.7371659322,0.0,-0.0353035971,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ru-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Ru-Tm +mp-1201204,Tm3Ge13Ru4,-5.959399586,-0.4281756587,0.0178612865,0.0178612865,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Tm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Tm +mp-570907,Tm(GeRu)2,-7.082341526,-0.6282022833,0.0,-0.0683176102,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Tm,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Tm +mp-1105861,Tm3Ge3Ru2,-6.5158616906,-0.7851873262,0.0,-0.0225949381,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Ru-Tm,16.0,A3B2C3_oC32_63_cf_f_cf:Ge-Ru-Tm +mp-1106240,Tm2Ge5Ru3,-6.604176449,-0.6151746748,0.0,-0.0342603789,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ru-Tm,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ru-Tm +mp-1197597,Ta4CrTe4,-8.2778025275,-0.5380934649,0.0,-0.0609446234,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Cr-Ta-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Cr-Ta-Te +mp-1200385,Eu3Sb4Se9,-6.1036426916,-1.1817543379,0.0095032841,0.0095032841,GGA,Pnma,A3B4C9_oP64_62_3c_4c_9c:Eu-Sb-Se,64.0,A3B4C9_oP64_62_3c_4c_9c:Eu-Sb-Se +mp-1192961,Eu(SbSe2)2,-5.6286124614,-0.9859481485,0.0499503807,0.0499503807,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Sb-Se,28.0,AB2C4_oP28_62_c_2c_4c:Eu-Sb-Se +mp-977443,ZrGeRu2,-8.527866175,-0.5979827838,0.0,-0.0052540804,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Ge-Ru-Zr +mp-637736,ZrGeRu,-8.2720152794,-0.7903049378,0.0,-0.123283669,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Ru-Zr,18.0,"Invalid WP multiplicities - ABC_oI36_46_2b3c_2a3c_5b:Ge-Ru-Zr, expected Zr5(GeRu)8 to be ZrGeRu" +mp-1210685,Lu4MgGe4,-5.0000897497,-0.7582904664,0.0,-0.0080848355,GGA,Pnma,A4B4C_oP36_62_2cd_2d_c:Ge-Lu-Mg,36.0,A4B4C_oP36_62_2cd_2d_c:Ge-Lu-Mg +mp-865129,Lu2MgGe2,-4.697153331,-0.719505971,0.0,-0.0350516443,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ge-Lu-Mg,10.0,A2B2C_tP10_127_g_h_a:Ge-Lu-Mg +mp-645707,Yb2EuSe4,-5.7520809732,-1.8492432203,0.1946315689,0.1946315689,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-Se-Yb,,"Invalid WP multiplicities - AB4C2_oP28_62_c_14c_5c:Eu-Se-Yb, expected Yb5EuSe14 to be Yb2EuSe4" +mp-1210287,Pr23Cd4Ir7,-5.612359424,-0.4499644044,0.0,-0.0024135848,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Pr,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Pr +mp-1209709,Pr4CdIr,-5.2399870062,-0.4258291796,0.0,-0.0162355168,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Pr,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Pr +mp-15827,Ho2Ge2Os,-6.624120341,-0.6964721650000001,0.0,-0.006865953,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-Ho-Os,10.0,"Invalid WP multiplicities - A2B2C_mC20_12_4i_4i_i:Ge-Ho-Os, expected Ho4Ge4Os to be Ho2Ge2Os" +mp-1201660,Ho5(Ge5Os2)2,-6.5440506692,-0.5413247418,0.0,-0.0391776531,GGA,P4/mbm,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Os,38.0,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Os +mp-1202254,Ho3Ge13Os4,-6.2719644878,-0.3341615655,0.0,-0.0055969727,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Os,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Os +mp-1097123,MgBiRh2,-2.904400935,2.137945295,2.4659656488,2.4659656488,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Mg-Rh,4.0,ABC2_oI8_71_a_b_e:Bi-Mg-Rh +mp-865963,LiGaAg2,-2.8777217675,-0.2271890435,0.0,-0.0563388748,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Ag-Ga-Li +mp-1093860,Li2GaAg,-1.454243205,0.9653812348,1.26560618,1.2411681294,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Ga-Li,4.0,ABC2_oI8_71_a_b_e:Ag-Ga-Li +mp-1222659,Li2GaAg,-2.719849385,-0.3002249452,0.0,-0.0244380506,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-Ga-Li,4.0,ABC2_cF16_216_a_c_bd:Ag-Ga-Li +mp-1096116,LiGa2Ag,-1.5621928425,1.1372248863,1.3519411116,1.3519411116,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ga-Li,4.0,AB2C_oI8_71_a_e_b:Ag-Ga-Li +mp-1093678,Hf2ZnOs,-4.8524699875,3.2479022875,3.7019332645,3.7019332645,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Os-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Os-Zn +mp-977535,ErAlAg2,-3.830386585,-0.3357849233,0.0,-0.0082878246,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Er,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Er +mp-1207432,Zr6Zn23Ge,-3.118343995,-0.2888995062,0.0,-0.0182520272,GGA,Fm-3m,AB23C6_cF120_225_a_bd2f_e:Ge-Zn-Zr,30.0,AB23C6_cF120_225_a_bd2f_e:Ge-Zn-Zr +mp-1207223,ZrZnGe,-5.1711437111,-0.3609863461,0.1810539781,0.1810539781,GGA,P-62m,ABC_hP9_189_f_bc_g:Ge-Zn-Zr,9.0,ABC_hP9_189_f_bc_g:Ge-Zn-Zr +mp-1206080,ZrZn2Ge,-4.2557648938,-0.3332109675,0.0773003994,0.0773003994,GGA,I4/mmm,AB2C_tI16_139_d_ce_e:Ge-Zn-Zr,8.0,AB2C_tI16_139_d_ce_e:Ge-Zn-Zr +mp-569745,YbMgSn,-2.9501348867,-0.5669814917,0.0,-0.1190345536,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Sn-Yb,,ABC_hP9_189_f_bc_g:Mg-Sn-Yb +mp-568020,Tl3SiTe3,-3.5891347982,-0.4543969196,0.0,-0.0481089942,GGA,P-1,AB3C3_aP28_2_2i_6i_6i:Si-Te-Tl,28.0,"Invalid WP multiplicities - AB3C3_aP28_2_2i_12i_12i:Si-Te-Tl, expected Tl6SiTe6 to be Tl3SiTe3" +mp-1206921,TiAsPd,-6.6286770344,-0.7171796239,0.0214288852,0.0214288852,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Pd-Ti,9.0,ABC_hP9_189_ad_g_f:As-Pd-Ti +mp-1217344,Th2SiGe,-6.9279083325,-0.7088927363,0.0037250675,0.0037250675,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Ge-Si-Th,8.0,ABC2_oP8_26_a_b_ab:Ge-Si-Th +mp-1217335,ThSiGe,-6.3894432467,-0.5687085350000001,0.0366493592,0.0366493592,GGA,Imma,ABC_oI12_74_e_e_e:Ge-Si-Th,,ABC_oI12_74_e_e_e:Ge-Si-Th +mp-1206260,ThSiGe,-6.3599838483,-0.5392491367,0.0661087575,0.0661087575,GGA,I4_1md,ABC_tI12_109_a_a_a:Ge-Si-Th,6.0,ABC_tI12_109_a_a_a:Ge-Si-Th +mp-1217280,Th4SiGe,-7.1645857333,-0.5472892525,0.0163481633,0.0163481633,GGA,I422,ABC4_tI12_97_a_b_j:Ge-Si-Th,6.0,ABC4_tI12_97_a_b_j:Ge-Si-Th +mp-1217353,Th3SiGe,-7.134349026,-0.6763648990000001,0.0,-0.012291851,GGA,Cmmm,ABC3_oC20_65_g_i_ehj:Ge-Si-Th,10.0,ABC3_oC20_65_g_i_ehj:Ge-Si-Th +mp-1025329,TlSiPt5,-5.77046218,-0.3213724976,0.0218640246,0.0218640246,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pt-Si-Tl,7.0,A5BC_tP7_123_ai_b_c:Pt-Si-Tl +mp-1207588,Yb5(Si5Ir2)2,-5.7676348518000005,-0.6463212508,0.0,-0.0269423915,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Yb,,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Yb +mp-10569,YbSiIr,-6.1487348408,-0.8809480108000001,0.0,-0.2667908077,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Yb,,ABC_oP12_62_c_c_c:Ir-Si-Yb +mp-1226464,CeZnSi,-4.72555758,-0.519507315,0.0,-0.0401196758,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Si-Zn,3.0,ABC_hP3_187_b_c_e:Ce-Si-Zn +mp-1184489,GdTmRh2,-7.8970677725,0.4230755783,1.314682305,1.314682305,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Gd-Rh-Tm +mp-865420,Lu2CuTc,-6.0600065625,-0.1845698988,0.0299270012,0.0299270012,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Tc,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Tc +mp-1208385,Th6NiBr15,-5.3125310932,-1.9689533145,0.0,-0.0193240395,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Br-Ni-Th,22.0,A15BC6_cI44_229_bh_a_e:Br-Ni-Th +mp-30276,Ce10Ga5Cl4,-5.2947405708,-0.9860290812,0.0380067773,0.0380067773,GGA,I4/mcm,A10B4C5_tI76_140_f2l_fh_al:Ce-Cl-Ga,38.0,A10B4C5_tI76_140_f2l_fh_al:Ce-Cl-Ga +mp-30278,Ce3Ga4Cl,-4.9229775312,-0.9529540044,0.0,-0.0488384817,GGA,I4/mcm,A3BC4_tI32_140_ah_c_l:Ce-Cl-Ga,16.0,A3BC4_tI32_140_ah_c_l:Ce-Cl-Ga +mp-1184872,HoTmCd2,-3.0353477475,-0.3093417942,0.0065102575,0.0065102575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ho-Tm,4.0,A2BC_cF16_225_c_a_b:Cd-Ho-Tm +mp-1184072,Dy2PdRh,-6.32498505,-0.88554421,0.00443035,0.00443035,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Dy-Pd-Rh +mp-1096033,HfCuAu2,-3.2580808775,1.8929590475,2.313491875,2.313491875,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Hf,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Hf +mp-1097610,HfCu2Au,-3.06349761,2.2938734825,2.5945373599,2.5945373599,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Hf,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Hf +mp-568366,Tb4CdRh,-4.9550531617,-0.4842761567,0.0,-0.0220788992,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Rh-Tb,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e4f5g:Cd-Rh-Tb, expected Tb35(CdRh)2 to be Tb4CdRh" +mp-1208790,Tb23Cd4Rh7,-5.2742245593,-0.5144558996,0.0043807862,0.0043807862,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Rh-Tb,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Rh-Tb +mp-864615,TbCdRh2,-5.6244129925,-0.5529450925,0.0,-0.00028919,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Tb +mp-1093535,Zr2CuRh,-4.35861097,2.78111798,3.2545987259,3.2545987259,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Rh-Zr +mp-1093831,ZrCuRh2,-4.6219570725,2.2219236875,2.7888344675,2.7888344675,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Cu-Rh-Zr +mp-972510,SmTmRh2,-6.81070658,-0.8299472554,0.0246313775,0.0246313775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sm-Tm,4.0,A2BC_cF16_225_c_a_b:Rh-Sm-Tm +mp-9768,BaSb2Pd,-4.7454033362,-0.9061885287,0.0,-0.0375630096,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ba-Pd-Sb,8.0,ABC2_oC16_63_c_c_2c:Ba-Pd-Sb +mp-1079967,Ba(SbPd)2,-4.987580796,-0.880232588,0.0,-0.1097442303,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ba-Pd-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ba-Pd-Sb +mp-6963,Ba(SbPd)2,-4.970023874,-0.862675666,0.017556922,-0.0921873083,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Pd-Sb,5.0,AB2C2_tI10_139_a_d_e:Ba-Pd-Sb +mp-1212882,Dy5BiPd2,-5.35537363,-0.7011002612,0.0,-0.0093718096,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Dy-Pd,16.0,AB5C2_tI32_140_a_cl_h:Bi-Dy-Pd +mp-1009543,DyBiPd,-5.49889366,-0.9565077333,0.0,-0.159940455,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Dy-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Dy-Pd +mp-1226772,Ce2SbTe,-6.1750711475,-1.3904497867,0.0,-0.0263619825,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Ce-Sb-Te,4.0,A2BC_tP4_123_ad_b_c:Ce-Sb-Te +mp-30152,CeSbTe,-5.7476502517,-1.3458514889,0.0,-0.0140045017,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Sb-Te,6.0,ABC_tP6_129_c_a_c:Ce-Sb-Te +mp-961719,HfAsRh,-7.6964875733,-0.369615805,0.4797950417,0.4797950417,GGA,F-43m,ABC_cF12_216_a_c_b:As-Hf-Rh,3.0,ABC_cF12_216_a_c_b:As-Hf-Rh +mp-1212628,Ho3Ga15Ru4,-4.8901478534,-0.5144079849000001,0.0,-0.0069681127,GGA,Pnma,A15B3C4_oP88_62_5c5d_3c_2d:Ga-Ho-Ru,88.0,A15B3C4_oP88_62_5c5d_3c_2d:Ga-Ho-Ru +mp-1104547,HoGa3Ru,-5.1744852067,-0.5862653112,0.0,-0.0410977552,GGA,Pm-3m,A3BC_cP15_221_ag_d_c:Ga-Ho-Ru,15.0,A3BC_cP15_221_ag_d_c:Ga-Ho-Ru +mp-1212385,Ho2(Ga3Ru)3,-5.1232797879,-0.5346448191000001,0.0,-0.0043940792,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Ru,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Ru +mp-1223927,Ho2GaRu,-5.896833405,-0.5300043294,0.0,-0.037039453,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ga-Ho-Ru,4.0,AB2C_tP4_123_a_h_b:Ga-Ho-Ru +mp-1103749,Sc(CrGe)6,-7.2734299808,-0.1973591304,0.0072276154,0.0072276154,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Cr-Ge-Sc,13.0,A6B6C_hP13_191_i_cde_a:Cr-Ge-Sc +mp-1197663,ScCrGe2,-6.7862400202,-0.478346949,0.0,-0.0169569252,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Sc,48.0,AB2C_oP48_55_ei_2g2hi_gi:Cr-Ge-Sc +mp-1219675,Sc7Cr5Ge9,-6.9301190762,-0.5396537533,0.0503295355,0.0503295355,GGA,Fmmm,A5B9C7_oF168_69_gp_fhimno_ghip:Cr-Ge-Sc,42.0,"Invalid WP multiplicities - A5B9C7_oF168_69_gp_fhi2m2no_ghip:Cr-Ge-Sc, expected Sc7Cr5Ge13 to be Sc7Cr5Ge9" +mp-862561,ScSbRu2,-7.8594713125,-0.6069024562,0.0,-0.09146719,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sb-Sc,4.0,A2BC_cF16_225_c_a_b:Ru-Sb-Sc +mp-1217983,TaCo6Mo,-8.3117517313,-0.1425849175,0.0031030773,0.0031030773,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Co-Mo-Ta,8.0,A6BC_hP8_187_jk_a_d:Co-Mo-Ta +mp-1218042,TaCo4Mo,-8.6251565933,-0.10237344,0.0684685942,0.0684685942,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Co-Mo-Ta,12.0,A4BC_hP12_164_abi_d_d:Co-Mo-Ta +mp-1217987,Ta3Co2Mo,-10.299806555,-0.1938701233,0.014815881,0.014815881,GGA,Fmm2,A2BC3_oF24_42_b_a_ac:Co-Mo-Ta,6.0,A2BC3_oF24_42_b_a_ac:Co-Mo-Ta +mp-865210,TmLuMg2,-3.09975628,-0.0504197692,0.0017810175,0.0017810175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Tm +mp-1096462,AlCdRh2,-2.876020265,1.9732500675,2.517736015,2.517736015,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cd-Rh,4.0,ABC2_oI8_71_a_b_e:Al-Cd-Rh +mp-567351,Tb4MgIr,-5.2539760975,-0.4246129925,0.0,-0.0190192563,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ir-Mg-Tb,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_2e3f3g:Ir-Mg-Tb, expected Tb11MgIr to be Tb4MgIr" +mp-3208,ZrGeTe,-6.3615240967,-0.9235126372,0.0,-0.0434423075,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Te-Zr,6.0,ABC_tP6_129_a_c_c:Ge-Te-Zr +mp-13542,ZrGeTe4,-5.0879967017,-0.7973380253,0.0,-0.0075049142,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Ge-Te-Zr,12.0,AB4C_oC24_36_a_4a_a:Ge-Te-Zr +mp-1229166,Cs(NpSe3)2,-6.6529852011,-1.3456040233,0.0,-0.0632196986,GGA,Immm,AB2C6_oI18_71_a_e_fm:Cs-Np-Se,9.0,AB2C6_oI18_71_a_e_fm:Cs-Np-Se +mp-1226792,Ce(ZnGa)2,-3.316540634,-0.41478695,0.0061085507,0.0061085507,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ga-Zn,,AB2C2_tI10_139_a_d_e:Ce-Ga-Zn +mp-1226471,CeZnGa3,-3.691397964,-0.4359737975,0.0109807894,0.0109807894,GGA,I-4m2,AB3C_tI10_119_c_af_b:Ce-Ga-Zn,5.0,AB3C_tI10_119_c_af_b:Ce-Ga-Zn +mp-1018671,CeZnGa,-3.8673160433,-0.4603397808,0.0,-0.0170924083,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Ga-Zn,6.0,ABC_hP6_194_a_c_d:Ce-Ga-Zn +mp-1213047,Er(Al5Re)2,-5.496463336,-0.3493455299,0.0,-0.0160035601,GGA,Cmcm,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Er-Re,78.0,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Er-Re +mp-865566,LuZnRh2,-5.8745462175,-0.74721875,0.0,-0.040324825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Zn +mp-1210650,LuZnRh,-5.1443367183,-0.762669385,0.0,-0.0341481597,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Rh-Zn,12.0,ABC_oP12_62_c_c_c:Lu-Rh-Zn +mp-567883,Ti4CoBi2,-6.9496574071,-0.325191104,0.0,-0.0895380929,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Bi-Co-Ti,14.0,A2BC4_tI28_140_h_a_k:Bi-Co-Ti +mp-1096427,GaSiTc2,-4.50061638,2.7930566056,3.0838104394,3.0838104394,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Ga-Si-Tc +mp-1021394,Mg6GaSn,-2.1401526944,-0.0602341722,0.0714155809,0.0714155809,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Sn, expected Mg12GaSn to be Mg6GaSn" +mp-1021401,Mg6GaSn,-2.1344502738,-0.0545317516,0.0771180015,0.0771180015,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Sn, expected Mg12GaSn to be Mg6GaSn" +mp-1026613,Mg14GaSn,-1.8638621762,-0.0237628902,0.0556895614,0.0556895614,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Sn, expected Mg18GaSn to be Mg14GaSn" +mp-1026579,Mg14GaSn,-1.8909539556,-0.0508546695,0.028597782,0.028597782,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Sn, expected Mg26GaSn to be Mg14GaSn" +mp-21907,NbSiAs,-7.2975111083,-0.5689306167,0.0,-0.0547627694,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Nb-Si,6.0,ABC_tP6_129_c_c_a:As-Nb-Si +mp-1210105,Nb2SiAs2,-6.509378516,0.479854468,1.091810886,1.091810886,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:As-Nb-Si,5.0,A2B2C_tP5_123_g_g_a:As-Nb-Si +mp-1232409,Nb4SiTe4,-7.2982081461,-0.8089012835,0.0,-0.1033132015,GGA,Pbam,A4BC4_oP36_55_2g2h_e_2g2h:Nb-Si-Te,36.0,A4BC4_oP36_55_2g2h_e_2g2h:Nb-Si-Te +mp-690578,Nb2SiTe4,-5.9229960243,-0.465688641,0.2721118211,0.2283534299,GGA,P1,A2BC4_aP7_1_2a_a_4a:Nb-Si-Te,7.0,A2BC4_aP7_1_2a_a_4a:Nb-Si-Te +mp-1173050,Nb2SiTe4,-6.14064977,-0.6833423867,0.0544580754,0.0106996842,GGA,P-1,A2BC4_aP7_2_i_a_2i:Nb-Si-Te,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_i_a_3i:Nb-Si-Te, expected Nb2SiTe6 to be Nb2SiTe4" +mp-1173475,Nb2SiTe4,-6.1831521064,-0.7258447231,0.0119557389,-0.0318026522,GGA,P-1,A2BC4_aP14_2_2i_bd_4i:Nb-Si-Te,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_2i_bd_6i:Nb-Si-Te, expected Nb2SiTe6 to be Nb2SiTe4" +mp-1173613,Nb2SiTe4,-5.6778583507,-0.2205509674,0.5172494946,0.4734911035,GGA,P-1,A2BC4_aP14_2_2i_ae_4i:Nb-Si-Te,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_2i_ae_6i:Nb-Si-Te, expected Nb2SiTe6 to be Nb2SiTe4" +mp-1220789,Nb2SiTe4,-5.9080940857,-0.4507867024,0.2870137596,0.2432553685,GGA,P-1,A2BC4_aP7_2_i_a_2i:Nb-Si-Te,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_i_a_4i:Nb-Si-Te, expected Nb2SiTe8 to be Nb2SiTe4" +mp-29072,Nb2SiTe4,-6.1951078454,-0.737800462,0.0,-0.0437583912,GGA,P2_1/c,A2BC4_mP28_14_2e_e_4e:Nb-Si-Te,28.0,A2BC4_mP28_14_2e_e_4e:Nb-Si-Te +mp-505137,Nb3SiTe6,-6.1872122668,-0.7283054157000001,0.010886681,0.010886681,GGA,Pnma,A3BC6_oP40_62_3c_c_3d:Nb-Si-Te,40.0,A3BC6_oP40_62_3c_c_3d:Nb-Si-Te +mp-1217075,Ti3ZnHg4,-3.2477000675,0.0224175725,0.1049008875,0.1049008875,GGA,P4/mmm,A4B3C_tP8_123_2h_ag_b:Hg-Ti-Zn,8.0,"Invalid WP multiplicities - A4B3C_tP8_123_2h_a2g_b:Hg-Ti-Zn, expected Ti5ZnHg4 to be Ti3ZnHg4" +mp-1216652,TiZnHg2,-2.4038314625,0.0368176267,0.13328329,0.13328329,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Hg-Ti-Zn,4.0,A2BC_tP4_123_e_a_c:Hg-Ti-Zn +mp-861980,PaGaTc2,-8.576875635,-0.2608659919,0.0,-0.1347241867,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Ga-Pa-Tc +mp-1077469,Li3GdBi2,-5.2768953817,-0.6962505317000001,0.0,-0.0250348417,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Bi-Gd-Li,6.0,A2BC3_hP6_164_d_a_bd:Bi-Gd-Li +mp-863673,LiPm2Rh,-5.0643093075,-0.3707304621,0.0,-0.2482252348,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Li-Pm-Rh +mp-863736,Ho2OsAu,-6.424998165,-0.5084813725,0.0909682144,0.0909682144,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Au-Ho-Os +mp-1097290,Cu2PdPt,-2.4737838275,2.38857329,2.529885025,2.529885025,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:Cu-Pd-Pt +mp-865785,YbHfIr2,-8.0363858375,-0.74296942,0.0,-0.0034954839,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Yb,,AB2C_cF16_225_a_c_b:Hf-Ir-Yb +mp-1186569,PmEuHg2,-4.41578003,-0.5120538169000001,0.0,-0.1034177556,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Pm +mp-867244,LiGdAu2,-6.3191777175,-0.6859754408000001,0.0,-0.0004601475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Gd-Li,4.0,A2BC_cF16_225_c_a_b:Au-Gd-Li +mp-976142,PrDyTl2,-3.8931752425,-0.3649305204,0.0,-0.0022047975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Pr-Tl +mp-1093951,NbGaTc2,-5.2180918525,3.2445778856,3.45809165,3.4183652646,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Ga-Nb-Tc +mp-1186224,NbGaTc2,-8.6761835025,-0.2135137644,0.0,-0.0397263854,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Nb-Tc,4.0,ABC2_cF16_225_a_b_c:Ga-Nb-Tc +mp-1206373,LiHfSe2,-6.24709542,-1.532611707,0.0,-0.0260371822,GGA,P-3m1,ABC2_hP4_164_a_b_d:Hf-Li-Se,4.0,ABC2_hP4_164_a_b_d:Hf-Li-Se +mp-1184476,Gd2InHg,-8.261659785,-0.4597576413,0.0345044275,0.0345044275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Hg-In,4.0,A2BC_cF16_225_c_a_b:Gd-Hg-In +mp-1206430,DyCu4Pd,-4.7271714217,-0.3632555333,0.0,-0.036976915,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Dy-Pd,6.0,A4BC_cF24_216_e_a_c:Cu-Dy-Pd +mp-1186414,PaHgTe2,-4.62950714,-0.6032679371,0.0,-0.0815593369,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pa-Te,4.0,ABC2_cF16_225_a_b_c:Hg-Pa-Te +mp-1217961,TaAu,-7.58552397,-0.019694155,0.011956766,0.011956766,GGA,P4/mmm,AB_tP2_123_a_d:Au-Ta,2.0,AB_tP2_123_a_d:Au-Ta +mp-1194495,Ta2Au,-9.0386803147,-0.042201228,0.0,-0.0203297772,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Au-Ta,30.0,AB2_tP30_136_ai_fij:Au-Ta +mp-569249,Ta3Au,-9.7347638213,-0.0229600988,0.0086908222,0.0086908222,GGA,Pm-3n,AB3_cP8_223_a_c:Au-Ta,8.0,AB3_cP8_223_a_c:Au-Ta +mp-631566,TaAuBr,-4.64983238,0.9117302733,1.5555158787,1.5555158787,GGA,F-43m,ABC_cF12_216_a_c_b:Au-Br-Ta,3.0,ABC_cF12_216_a_c_b:Au-Br-Ta +mp-1209302,Rb2TcCl6,-4.3658610444,-1.7644247056,0.0,-0.119670166,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Tc,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Tc +mp-1224341,Hf2Sb3Te,-6.5808351567,-0.6733872111,0.0006343943,0.0006343943,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Hf-Sb-Te,6.0,A2B3C_mC12_8_2a_3a_a:Hf-Sb-Te +mp-1185607,LaEuHg2,-4.4873854975,-0.5372930888,0.0,-0.0103610275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-La,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-La +mp-1185195,La2InAg,-4.2411942075,-0.3771307217,0.00243061,0.00243061,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-La,4.0,ABC2_cF16_225_a_b_c:Ag-In-La +mp-568917,LaInAg2,-3.7073005625,-0.3690998521,0.0,-0.0600707136,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-La,4.0,A2BC_cF16_225_c_a_b:Ag-In-La +mp-978807,Sm2TlHg,-3.4563519525,-0.4304780071,0.0,-0.069077855,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sm-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Sm-Tl +mp-861994,Ho2TlCd,-3.4436226,-0.3310349383,0.0,-0.0141353275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ho-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Ho-Tl +mp-1104216,Pu(Mo3Se4)2,-8.0622563387,-0.9083209512,0.040859044,0.040859044,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Pu-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Pu-Se +mp-1209671,Pu3Se4,-9.98123692,-1.8687853628,0.0,-0.0550960482,GGA,I-43d,A3B4_cI28_220_a_c:Pu-Se,14.0,A3B4_cI28_220_a_c:Pu-Se +mp-1018954,PuSe2,-8.7032419617,-1.6166881999,0.0,-0.0995341866,GGA,P4/nmm,AB2_tP6_129_c_ac:Pu-Se,6.0,AB2_tP6_129_c_ac:Pu-Se +mp-2288,PuSe,-10.678325465,-1.7964505612,0.0,-0.1612633688,GGA,Fm-3m,AB_cF8_225_a_b:Pu-Se,2.0,AB_cF8_225_a_b:Pu-Se +mp-1205450,Pu2Se3,-9.6252670345,-1.8205848159,0.0,-0.027428602,GGA,Pnma,A2B3_oP20_62_2c_3c:Pu-Se,20.0,A2B3_oP20_62_2c_3c:Pu-Se +mp-32672,Pu2Se3,-9.5378320682,-1.7331498497000002,0.0874349663,0.0600063643,GGA,I-42d,A2B3_tI80_122_cde_3e:Pu-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_15e:Pu-Se, expected Pu3Se5 to be Pu2Se3" +mp-20792,Ca2InPd2,-4.150160513,-0.725631091,0.0,-0.0367235945,GGA,C2/c,A2BC2_mC20_15_f_e_f:Ca-In-Pd,10.0,A2BC2_mC20_15_f_e_f:Ca-In-Pd +mp-620571,CaInPd,-4.0104990475,-0.6981105742,0.0,-0.0222115319,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-In-Pd,12.0,ABC_oP12_62_c_c_c:Ca-In-Pd +mp-22717,CaIn2Pd,-3.7859462688,-0.6137339813,0.0,-0.0523601011,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ca-In-Pd,8.0,AB2C_oC16_63_c_f_c:Ca-In-Pd +mp-20108,CaIn4Pd,-3.4561474208,-0.4241113192,0.0055125433,0.0055125433,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ca-In-Pd,12.0,AB4C_oC24_63_c_acf_c:Ca-In-Pd +mp-1093795,CaInPd2,-2.7847953125,0.994466495,1.6520729675,1.6472981087,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-In-Pd,4.0,ABC2_oI8_71_a_b_e:Ca-In-Pd +mp-1183586,CaInPd2,-4.43686828,-0.6576064725,0.0,-0.0047748588,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-In-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-In-Pd +mp-1200271,AgPd3Se,-4.637217001,-0.2635944188,0.0007315967,0.0007315967,GGA,Pa-3,AB3C_cP40_205_c_d_c:Ag-Pd-Se,40.0,AB3C_cP40_205_c_d_c:Ag-Pd-Se +mp-607818,GeTeRh,-5.5368457867,-0.4932985806,0.047507277,0.047507277,GGA,Pbca,ABC_oP24_61_c_c_c:Ge-Rh-Te,24.0,ABC_oP24_61_c_c_c:Ge-Rh-Te +mp-1184322,Eu2TlZn,-6.3851667575,-0.3510691683,0.0,-0.073128434,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Tl-Zn +mp-982387,Pm2ZnHg,-3.1475700825,-0.3814429275,0.0,-0.1345807971,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Pm-Zn +mp-1186678,PmZnHg2,-1.99132269,-0.3369110244,0.0168920717,0.0168920717,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Pm-Zn,4.0,A2BC_cF16_225_c_a_b:Hg-Pm-Zn +mp-1186674,PmZn2Hg,-2.19785208,-0.3044246031,0.0330747633,0.0330747633,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Hg-Pm-Zn +mp-541667,Nb(SeBr)2,-5.237221892,-1.1973849609,0.0003361842,0.0003361842,GGA,P-1,A2BC2_aP10_2_2i_i_2i:Br-Nb-Se,10.0,A2BC2_aP10_2_2i_i_2i:Br-Nb-Se +mp-569623,Nb(SeBr)2,-5.234565834,-1.1947289029,0.0029922422,0.0029922422,GGA,C2/m,A2BC2_mC20_12_j_g_2i:Br-Nb-Se,10.0,"Invalid WP multiplicities - A2BC2_mC20_12_j_g_3i:Br-Nb-Se, expected NbSe3Br2 to be Nb(SeBr)2" +mp-1209865,NbSeBr,-6.3008018842,-1.2507202683,0.0009395823,0.0009395823,GGA,F-43m,ABC_cF48_216_e_e_e:Br-Nb-Se,12.0,ABC_cF48_216_e_e_e:Br-Nb-Se +mp-567731,Nb3Se10Br3,-5.4293200498,-1.0591878694,0.0,-0.0280572686,GGA,P2_1/m,A3B3C10_mP64_11_2e2f_3f_4e8f:Br-Nb-Se,64.0,"Invalid WP multiplicities - A3B3C10_mP64_11_4e7f_8f_8e30f:Br-Nb-Se, expected Nb8Se34Br9 to be Nb3Se10Br3" +mp-679967,Nb3Se10Br3,-5.4258247922,-1.0556926118,0.0034952577,-0.024562011,GGA,P2_1/c,A3B3C10_mP128_14_6e_6e_20e:Br-Nb-Se,128.0,"Invalid WP multiplicities - A3B3C10_mP128_14_23e_22e_75e:Br-Nb-Se, expected Nb22Se75Br23 to be Nb3Se10Br3" +mp-1210250,Nb3Se5Br7,-5.137603576,-1.2272921881,0.0084140847,0.0084140847,GGA,P2_1/m,A7B3C5_mP30_11_3e2f_ef_e2f:Br-Nb-Se,30.0,A7B3C5_mP30_11_3e2f_ef_e2f:Br-Nb-Se +mp-23498,NbSeBr3,-4.9629368295,-1.311676528,0.0,-0.006062736,GGA,P2/c,A3BC_mP20_13_3g_g_g:Br-Nb-Se,20.0,A3BC_mP20_13_3g_g_g:Br-Nb-Se +mp-1211543,LaAlRh,-6.1814125821,-0.8327823138,0.0,-0.0585406741,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Al-La-Rh,24.0,ABC_oP24_62_2c_2c_2c:Al-La-Rh +mp-1211312,La2(Al3Rh)3,-5.4858327354,-0.7947527146000001,0.0,-0.0737388598,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-La-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-La-Rh +mp-12101,Lu(SiOs)2,-8.265100366,-0.699836078,0.0,-0.2045087878,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Os-Si +mp-1202999,Lu3Si13Os4,-6.8545646042,-0.4044918208,0.0661329248,0.0661329248,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Lu-Os-Si,40.0,A3B4C13_cP40_223_c_e_ak:Lu-Os-Si +mp-1201817,Er3Si11Pt23,-6.6135642111,-0.8563285051,0.0,-0.0163691001,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Er-Pt-Si,74.0,A3B23C11_cF296_225_d_e2fk_e2f:Er-Pt-Si +mp-1206359,Er2(SiPt)3,-5.067010515,0.3860884437,1.5035156006,1.5035156006,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Er-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Er-Pt-Si +mp-1102879,ErSiPt,-6.5593247533,-1.2046013667,0.0,-0.1466320647,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Pt-Si,12.0,ABC_oP12_62_c_c_c:Er-Pt-Si +mp-1079518,Er(SiPt)2,-6.577246933,-1.065122631,0.0,-0.0909684663,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Er-Pt-Si,10.0,AB2C2_tP10_129_c_ac_bc:Er-Pt-Si +mp-7107,Er(SiPt)2,-6.522792088,-1.010667786,0.054454845,-0.0365136213,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Pt-Si +mp-1225038,Er(SiPt)2,-6.468154946,-0.956030644,0.109091987,0.0181235207,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:Er-Pt-Si +mp-1208359,TbSiNi,-6.0454612725,-0.7655210025,0.0,-0.0220485249,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-Tb,12.0,ABC_oP12_62_c_c_c:Ni-Si-Tb +mp-1217636,Tb3Si3Ni,-5.8892345414000005,-0.7522075314000001,0.0267793682,0.0267793682,GGA,Imm2,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Tb,7.0,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Tb +mp-4466,Tb(SiNi)2,-6.237304854,-0.82824975,0.0,-0.1022932361,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Tb +mp-4993,TbSi2Ni,-6.1239094925,-0.8076247825,0.0,-0.0424559154,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Tb,8.0,AB2C_oC16_63_c_2c_c:Ni-Si-Tb +mp-15204,Tb2Si5Ni3,-6.133958615,-0.760385376,0.0,-0.015843629,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Tb,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_2a2j_bfj_j:Ni-Si-Tb, expected Tb2Si5Ni6 to be Tb2Si5Ni3" +mp-1217855,Tb(SiNi5)2,-5.9175159985,-0.2801030015,0.1582698638,0.139896536,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Ni-Si-Tb,13.0,A10B2C_oI26_71_efhk_g_a:Ni-Si-Tb +mp-21601,Tb(SiNi5)2,-6.0757858623,-0.4383728654,0.0,-0.0183733279,GGA,P4/nmm,A10B2C_tP26_129_d2i_e_c:Ni-Si-Tb,26.0,"Invalid WP multiplicities - A10B2C_tP26_129_2d4i_e_c:Ni-Si-Tb, expected Tb(SiNi10)2 to be Tb(SiNi5)2" +mp-1190542,TbSi3Ni8,-6.1525680325,-0.5566168967,0.0104075621,0.0104075621,GGA,C2/c,A8B3C_mC48_15_ae3f_cf_e:Ni-Si-Tb,24.0,A8B3C_mC48_15_ce3f_af_e:Ni-Si-Tb +mp-1190904,Tb3Si2Ni,-5.7931474487,-0.7041689421,0.0,-0.0259084976,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ni-Si-Tb,24.0,AB2C3_oP24_62_c_2c_3c:Ni-Si-Tb +mp-1070859,TbSiNi4,-6.138295,-0.608256525,0.0,-0.0765219281,GGA,Cmmm,A4BC_oC12_65_eh_a_c:Ni-Si-Tb,6.0,A4BC_oC12_65_eh_a_c:Ni-Si-Tb +mp-1221468,Mo6OsRu,-10.6692223987,0.02773643,0.0379176973,0.0379176973,GGA,Pm-3,A6BC_cP8_200_f_a_b:Mo-Os-Ru,8.0,A6BC_cP8_200_f_a_b:Mo-Os-Ru +mp-1184543,GdLuAg2,-6.3854193925,-0.3198732008,0.0,-0.0376159837,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Gd-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-Gd-Lu +mp-975518,NdLuIn2,-4.13048217,-0.4323658169,0.0122898224,0.0122898224,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Nd,4.0,A2BC_cF16_225_c_a_b:In-Lu-Nd +mp-867307,Be2RuAu,-5.264434655,-0.2576570875,0.0,-0.0085914275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Be-Ru,4.0,AB2C_cF16_225_a_c_b:Au-Be-Ru +mp-1096070,La2CuOs,-4.30434571,1.9953013675,2.1522095562,2.1522095562,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-La-Os,4.0,AB2C_oI8_71_a_e_b:Cu-La-Os +mp-1217463,Th2(InSn)3,-4.788837855,-0.3999024481,0.0,-0.00406024,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Th,8.0,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Th +mp-662714,GdAs2Pd3,-7.2393712906,-0.7503705439,0.0036626824,0.0036626824,GGA,C2/m,A2BC3_mC36_12_3i_ai_d4i:As-Gd-Pd,18.0,"Invalid WP multiplicities - A2BC3_mC36_12_6i_a2i_c7i:As-Gd-Pd, expected Gd5(As4Pd5)3 to be GdAs2Pd3" +mp-865438,LuTlRh2,-5.9984732225,-0.5954208708000001,0.0,-0.0193936021,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Tl +mp-865030,HfScRu2,-9.4421450375,-0.7325292337,0.0,-0.04653154,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Sc +mp-1184520,GdTmCd2,-5.4183071675,-0.3188728717,0.0104175275,0.0104175275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Gd-Tm,4.0,A2BC_cF16_225_c_a_b:Cd-Gd-Tm +mp-973133,ScCuPd2,-5.83976503,-0.6419051812000001,0.0128293488,0.0128293488,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Cu-Pd-Sc +mp-1096213,Sc2CuPd,-3.571707915,1.9142987575,2.508581775,2.508581775,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Cu-Pd-Sc +mp-1186941,Sc2CuPd,-6.0786786575,-0.5926719850000001,0.0016110325,0.0016110325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Pd-Sc +mp-1077165,YbCu4Au,-3.8827646467,-0.34771182,0.0,-0.0290550533,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-Yb,,AB4C_cF24_216_a_e_c:Au-Cu-Yb +mp-1226163,La2CeTe4,-5.8332127043,-1.7791659988,0.0,-0.000392765,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ce-La-Te,14.0,AB2C4_tI28_122_a_d_e:Ce-La-Te +mp-1105586,Tb6CoCl10,-5.3539649106,-2.2127954403,0.0,-0.0437174867,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Cl-Co-Tb,17.0,A10BC6_aP17_2_5i_a_3i:Cl-Co-Tb +mp-864760,HoCdPd2,-4.7124422475,-0.746176685,0.0,-0.025373073,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ho-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Ho-Pd +mp-1212312,Ho4CdPd,-4.5264411321,-0.4543732904,0.0,-0.0339255171,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ho-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Ho-Pd +mp-1206107,Ho2CdPd2,-4.901159514,-0.81166529,0.0,-0.043225233,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Ho-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Ho-Pd +mp-862635,ScSbRh2,-7.0823564575,-0.7848349363,0.0268125906,0.0268125906,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sb-Sc,4.0,A2BC_cF16_225_c_a_b:Rh-Sb-Sc +mp-1186157,NaEuAu2,-5.1180885775,-0.5862658041000001,0.0079148069,0.0079148069,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Na,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Na +mp-1225615,Er2In3Cu,-3.956450625,-0.3748347117,0.031974564,0.031974564,GGA,P3m1,AB2C3_hP6_156_a_2b_a2c:Cu-Er-In,6.0,AB2C3_hP6_156_a_2b_a2c:Cu-Er-In +mp-4552,ErInCu2,-4.2026378375,-0.3231838675,0.0231987083,0.0231987083,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Er-In,4.0,A2BC_cF16_225_c_a_b:Cu-Er-In +mp-1078738,Er2InCu2,-4.409395896,-0.392288958,0.0,-0.036728304,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Cu-Er-In,10.0,A2B2C_tP10_127_g_h_a:Cu-Er-In +mp-1206262,ErInCu4,-4.2350193383,-0.2823144683,0.0,-0.0668585567,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Er-In,6.0,A4BC_cF24_216_e_a_c:Cu-Er-In +mp-3950,ErInCu,-4.2166537533,-0.4104506833,0.0,-0.0358330835,GGA,P-62m,ABC_hP9_189_ad_f_g:Cu-Er-In,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Cu-Er-In, expected Er3In3Cu5 to be ErInCu" +mp-1097377,CdGaPd2,-2.4857534925,1.0919338581,1.6282908581000002,1.6282908581000002,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-Pd +mp-1080824,FeNiAs,-6.4292622667,-0.1261701683,0.089200877,0.089200877,GGA,Amm2,ABC_oC18_38_ae_ad_be:As-Fe-Ni,9.0,ABC_oC18_38_ae_ad_be:As-Fe-Ni +mp-1224951,FeNiAs4,-5.7396705383,-0.2585652867,0.0024886521,0.0024886521,GGA,P2/m,A4BC_mP6_10_mn_c_e:As-Fe-Ni,6.0,A4BC_mP6_10_mn_a_e:As-Fe-Ni +mp-1224768,Fe3NiAs8,-5.9656897,-0.2604274042,0.0021594119,0.0021594119,GGA,P2/m,A8B3C_mP12_10_2m2n_an_c:As-Fe-Ni,12.0,"Invalid WP multiplicities - A8B3C_mP12_10_3m3n_an_c:As-Fe-Ni, expected Fe3NiAs12 to be Fe3NiAs8" +mp-1224728,Fe(NiAs)2,-6.0247687667,-0.1550624907,0.1033827638,0.1033827638,GGA,Imm2,A2BC2_oI30_44_abe_ac_de:As-Fe-Ni,15.0,A2BC2_oI30_44_abe_ac_de:As-Fe-Ni +mp-1224770,Fe3NiAs4,-6.4667513925,-0.2384171513,0.0,-0.006421088,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:As-Fe-Ni,8.0,A4B3C_mP8_6_2a2b_a2b_a:As-Fe-Ni +mp-1208826,Sm3Ga2Sn3,-4.7183561763,-0.6882729244,0.0,-0.0172527418,GGA,Cmcm,A2B3C3_oC32_63_f_ce_cg:Ga-Sm-Sn,16.0,A2B3C3_oC32_63_f_ce_cg:Ga-Sm-Sn +mp-31481,Ca3Ga3Ir2,-4.7189829122,-0.6217384038,0.0,-0.1272245619,GGA,Pnma,A3B3C2_oP32_62_cd_cd_d:Ca-Ga-Ir,32.0,A3B3C2_oP32_62_cd_cd_d:Ca-Ga-Ir +mp-631308,SnIrSe2,-4.6633398525,0.2966173951,0.9587951841,0.9587951841,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ir-Se-Sn,4.0,AB2C_cF16_216_a_bc_d:Ir-Se-Sn +mp-1195050,SnIr2Se5,-5.5776430131,-0.6818933127,0.0,-0.0223390934,GGA,P2/m,A2B5C_mP16_10_mn_2m3n_m:Ir-Se-Sn,16.0,A2B5C_mP16_10_mn_2m3n_m:Ir-Se-Sn +mp-1194504,Sn3Ir2Se3,-5.66662706,-0.6424622653000001,0.0,-0.1052903692,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Ir-Se-Sn,32.0,A2B3C3_hR96_148_cf_2f_2f:Ir-Se-Sn +mp-864976,Mg2AgIr,-4.0193779725,-0.3014904017,0.0119704916,0.0119704916,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Mg +mp-1205516,Er2MgNi2,-4.858445565,-0.399247359,0.0,-0.0088703166,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Er-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:Er-Mg-Ni +mp-1212947,Er4MgNi,-4.4847699683,-0.20955464,0.0,-0.0101874337,GGA,F-43m,A4BC_cF96_216_efg_e_e:Er-Mg-Ni,24.0,A4BC_cF96_216_efg_e_e:Er-Mg-Ni +mp-1183262,AcCe3,-5.337218905,0.1428917131,0.1428917131,0.1428917131,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Ce,4.0,AB3_tI8_139_a_bd:Ac-Ce +mp-1183238,AcCe3,-5.28679618,0.1933144381,0.1933144381,0.1933144381,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Ce,8.0,AB3_hP8_194_c_h:Ac-Ce +mp-1183110,AcCe3,-5.3389674525,0.1411431656,0.1411431656,0.1411431656,GGA,Pm-3m,AB3_cP4_221_a_c:Ac-Ce,4.0,AB3_cP4_221_a_c:Ac-Ce +mp-1183307,Ac3Ce,-4.4016446625,0.1725088819,0.1725088819,0.1725088819,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Ce,4.0,A3B_tI8_139_ad_b:Ac-Ce +mp-1183673,Ac3Ce,-4.4441474975,0.1300060469,0.1300060469,0.1300060469,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Ce,8.0,A3B_hP8_194_h_c:Ac-Ce +mp-1183105,Ac3Ce,-4.4466815775,0.1274719669,0.1274719669,0.1274719669,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Ce,4.0,A3B_cP4_221_c_a:Ac-Ce +mp-1183117,AcCeMg2,-3.282736795,0.0309692706,0.0779066933,0.0779066933,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ce-Mg,4.0,ABC2_cF16_225_a_b_c:Ac-Ce-Mg +mp-1019256,SmTlZn,-3.116503035,-0.3361787378,0.02017082,0.02017082,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Sm-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Sm-Tl-Zn +mp-978815,Sm2TlZn,-3.604139155,-0.3392493983,0.0175761225,0.0175761225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sm-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Sm-Tl-Zn +mp-19887,Nb(FeGe)6,-6.9810059954,-0.1610368085,0.0119568213,0.0119568213,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Nb,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_cd2e_a:Fe-Ge-Nb, expected Nb(Fe3Ge4)2 to be Nb(FeGe)6" +mp-1220918,Nb9Fe3Ge2,-9.0738079743,-0.1046747814,0.1245466458,0.1245466458,GGA,Fmmm,A3B2C9_oF112_69_deh_ci_g4m:Fe-Ge-Nb,28.0,"Invalid WP multiplicities - A3B2C9_oF112_69_deh_ci_g6m:Fe-Ge-Nb, expected Nb13Fe3Ge2 to be Nb9Fe3Ge2" +mp-1190207,NbFeGe,-8.0739386611,-0.3424872928,0.0,-0.0357077118,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Fe-Ge-Nb,18.0,ABC_oI36_46_ac_bc_3b:Fe-Ge-Nb +mp-1185138,LaPrZn2,-3.3703159925,-0.3112159725,0.0,-0.00016014,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:La-Pr-Zn +mp-1103795,Eu2Zn3Ge,-5.253988025,-0.4346109775,0.0094431708,0.0094431708,GGA,Pmc2_1,A2BC3_oP12_26_ab_a_a2b:Eu-Ge-Zn,12.0,A2BC3_oP12_26_ab_a_a2b:Eu-Ge-Zn +mp-1103721,Eu2Zn3Ge,-5.2469399525,-0.427562905,0.0164912433,0.0164912433,GGA,Fmmm,A2BC3_oF48_69_fg_h_hm:Eu-Ge-Zn,12.0,"Invalid WP multiplicities - A2BC3_oF48_69_fg_h_h2m:Eu-Ge-Zn, expected Eu2Zn5Ge to be Eu2Zn3Ge" +mp-19808,Eu(ZnGe)2,-4.811013716,-0.40650477,0.0,-0.0419621801,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Eu-Ge-Zn,10.0,AB2C2_tP10_129_c_ac_bc:Eu-Ge-Zn +mp-20771,Eu(ZnGe)2,-4.803650532,-0.399141586,0.007363184,-0.0345989961,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Zn,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Zn +mp-1018699,EuZnGe,-5.8992497183,-0.5193252967,0.058370195,0.0011327578,GGA,Pmmm,ABC_oP6_47_ad_k_l:Eu-Ge-Zn,6.0,ABC_oP6_47_ad_k_l:Eu-Ge-Zn +mp-1018702,EuZnGe,-5.856135105,-0.4762106833,0.1014848083,0.0442473711,GGA,Pmma,ABC_oP6_51_f_e_e:Eu-Ge-Zn,6.0,ABC_oP6_51_f_e_e:Eu-Ge-Zn +mp-1077151,EuZnGe,-5.9088553333,-0.5289309117000001,0.04876458,-0.0084728572,GGA,Immm,ABC_oI12_71_g_e_f:Eu-Ge-Zn,6.0,ABC_oI12_71_g_e_f:Eu-Ge-Zn +mp-1077112,EuZnGe,-5.8513793283,-0.4714549067,0.106240585,0.0490031478,GGA,Imma,ABC_oI12_74_a_e_e:Eu-Ge-Zn,6.0,ABC_oI12_74_a_e_e:Eu-Ge-Zn +mp-1077099,EuZnGe,-5.938620095,-0.5586956733,0.0189998183,-0.0382376189,GGA,P6_3mc,ABC_hP6_186_a_b_b:Eu-Ge-Zn,6.0,ABC_hP6_186_a_b_b:Eu-Ge-Zn +mp-1009504,EuZnGe,-5.9326106767,-0.552686255,0.0250092367,-0.0322282006,GGA,P-6m2,ABC_hP3_187_b_c_e:Eu-Ge-Zn,3.0,ABC_hP3_187_b_c_e:Eu-Ge-Zn +mp-1018703,EuZnGe,-5.7689475,-0.3890230783,0.1886724133,0.1314349761,GGA,P6/mmm,ABC_hP6_191_e_c_d:Eu-Ge-Zn,6.0,ABC_hP6_191_e_c_d:Eu-Ge-Zn +mp-9873,EuZnGe,-5.9576199133,-0.5776954917,0.0,-0.0572374372,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Eu-Ge-Zn,6.0,ABC_hP6_194_a_c_d:Eu-Ge-Zn +mp-1103084,EuZnGe,-5.9354091033,-0.5554846817,0.02221081,-0.0350266272,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Eu-Ge-Zn,12.0,ABC_hP12_194_ab_f_f:Eu-Ge-Zn +mp-1102922,Eu2ZnGe3,-6.50044305,-0.5599712542,0.0156302067,0.0092375693,GGA,C2/m,A2B3C_mC24_12_gi_ij_i:Eu-Ge-Zn,12.0,A2B3C_mC24_12_gi_ij_i:Eu-Ge-Zn +mp-1191637,Eu2ZnGe3,-6.4972509804000005,-0.5567791846,0.0188222762,0.0124296389,GGA,Cmce,A2B3C_oC48_64_ef_fg_f:Eu-Ge-Zn,24.0,A2B3C_oC48_64_ef_fg_f:Eu-Ge-Zn +mp-1102838,Eu2ZnGe3,-6.4956654142,-0.5551936183,0.0204078425,0.0140152052,GGA,Fmmm,A2B3C_oF48_69_fg_hm_h:Eu-Ge-Zn,12.0,A2B3C_oF48_69_fg_hm_h:Eu-Ge-Zn +mp-1095470,Eu2ZnGe3,-6.5160732567,-0.5756014608000001,0.0,-0.0063926373,GGA,P6_3/mmc,A2B3C_hP12_194_e_cf_d:Eu-Ge-Zn,12.0,A2B3C_hP12_194_e_cf_d:Eu-Ge-Zn +mp-1207947,TmZnGe,-4.0795591492,-0.6266901864000001,0.0,-0.0370242825,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Tm-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Tm-Zn +mp-16189,Tm4Zn5Ge6,-3.9848237733,-0.5221419818,0.0,-0.0186485766,GGA,Cmc2_1,A6B4C5_oC60_36_6a_4a_5a:Ge-Tm-Zn,30.0,"Invalid WP multiplicities - A6B4C5_oC60_36_8a_4a_5a:Ge-Tm-Zn, expected Tm4Zn5Ge8 to be Tm4Zn5Ge6" +mp-1101768,La3(ZnPd)4,-4.4030549873,-0.7151892605,0.0,-0.0267348034,GGA,Immm,A3B4C4_oI22_71_af_eh_n:La-Pd-Zn,11.0,A3B4C4_oI22_71_af_eh_n:La-Pd-Zn +mp-1102763,LaZnPd,-4.5052594692,-0.7133819608,0.0,-0.0289768708,GGA,Pnma,ABC_oP12_62_c_c_c:La-Pd-Zn,12.0,ABC_oP12_62_c_c_c:La-Pd-Zn +mp-1192004,La6Zn4Pd13,-5.2490925765,-0.81459342,0.0,-0.0440554465,GGA,Im-3m,A6B13C4_cI46_229_e_ah_c:La-Pd-Zn,23.0,A6B13C4_cI46_229_e_ah_c:La-Pd-Zn +mp-863665,Pm2CuIr,-6.06723184,-0.4575504662,0.0,-0.4157042835,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Pm +mp-866029,Gd2IrPd,-11.3894309425,-0.846790825,0.0,-0.2123702715,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Gd-Ir-Pd +mp-1105556,La(As3Os)4,-6.5922901329,-0.3714137985,0.0,-0.02934412,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-La-Os,17.0,A12BC4_cI34_204_g_a_c:As-La-Os +mp-865215,TmHfRu2,-8.876884585,-0.6314272017,0.0,-0.0205692631,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Tm +mp-1225161,EuTe2Pb,-6.327148875,-1.2630837108,0.0,-3.7825000000000005e-05,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Eu-Pb-Te,4.0,ABC2_tP4_123_a_d_bc:Eu-Pb-Te +mp-865275,TmZrOs2,-9.23627331,-0.3667055817,0.0710365473,0.0710365473,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Tm-Zr,4.0,A2BC_cF16_225_c_a_b:Os-Tm-Zr +mp-862913,PmHgRh2,-5.348128035,-0.4024184281,0.0,-0.0340390317,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Hg-Pm-Rh +mp-31091,Lu2Pd2Pb,-5.465137391,-0.842275045,0.0,-0.0623143155,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Lu-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Lu-Pb-Pd +mp-1206796,LuPd2Pb,-5.359288515,-0.7109482125000001,0.0214248053,0.0214248053,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Lu-Pb-Pd +mp-647347,Np2InPt2,-8.626105316,-0.4682033695,0.0,-0.0540225664,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Np-Pt,10.0,AB2C2_tP10_127_a_h_g:In-Np-Pt +mp-862629,ScRh2Pb,-6.7782573500000005,-0.5848243712,0.0,-0.0200225756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Pb-Rh-Sc +mp-1096381,AgSnPd2,-2.79176485,1.5087080196,1.9142136296,1.9142136296,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Sn +mp-985450,CaAcIn2,-3.3511423475,-0.4436067606,0.0,-0.0669192459,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-In,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-In +mp-975049,NdSmHg2,-2.9947458925,-0.4712223181,0.0,-0.0783362256,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Nd-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Nd-Sm +mp-1093666,HfMnIr2,-6.46089724,2.7381209305,3.3836502293,3.3836502293,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ir-Mn,4.0,AB2C_oI8_71_a_e_b:Hf-Ir-Mn +mp-1184581,HfMnIr2,-9.8217253075,-0.622707137,0.0228221618,0.0228221618,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Mn,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Mn +mp-865138,Hf2MnIr,-10.1289909975,-0.6502841145,0.0,-0.0210145214,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Mn,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Mn +mp-30406,Li2TlAu,-2.7256257325,-0.3620330125,0.02840133,0.02387535,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Tl,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Tl +mp-865711,Li2TlAu,-2.7540270625,-0.3904343425,0.0,-0.00452598,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Au-Li-Tl +mp-1105006,Dy3Ga8Ag3,-3.7776385171,-0.4531530379,0.0,-0.0083264686,GGA,Immm,A3B3C8_oI28_71_bf_ag_2n:Ag-Dy-Ga,14.0,A3B3C8_oI28_71_bf_ag_2n:Ag-Dy-Ga +mp-1225625,DyGaAg,-3.97061616,-0.4814698714,0.0052875443,0.0052875443,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Dy-Ga,6.0,ABC_mC12_12_i_i_i:Ag-Dy-Ga +mp-1184152,Dy2GaAg,-4.2321954875,-0.463639061,0.0177896462,0.0177896462,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Ga,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Ga +mp-1185349,LiEu2Hg,-5.95240857,-0.2707568621,0.0072589317,0.0072589317,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-Li,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-Li +mp-21281,Th(MnGe)2,-7.465916594,-0.4691276852,0.0,-0.072147761,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Th +mp-1181705,Cu3SnAu,-3.8119433755,0.1042713975,0.1779894565,0.1779894565,GGA,P2_13,AB3C_cP20_198_a_b_a:Au-Cu-Sn,20.0,AB3C_cP20_198_a_b_a:Au-Cu-Sn +mp-1071623,CuSnAu,-3.8911675267,-0.0969473517,0.02591608,0.02591608,GGA,I4/mmm,ABC_tI12_139_e_c_e:Au-Cu-Sn,6.0,ABC_tI12_139_e_c_e:Au-Cu-Sn +mp-1097536,NaInPd2,-2.40986599,1.1986271709,1.5856641877,1.5856641877,GGA,Immm,ABC2_oI8_71_a_b_e:In-Na-Pd,4.0,ABC2_oI8_71_a_b_e:In-Na-Pd +mp-1186140,NaInPd2,-3.9662873625,-0.3577942016,0.0292428152,0.0292428152,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Na-Pd,4.0,ABC2_cF16_225_a_b_c:In-Na-Pd +mp-1078961,LiTbGe,-4.4363617311,-0.7142561239,0.0,-0.0961333474,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Tb,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Tb +mp-1208824,Sm6Nb4Al43,-4.6709523806,-0.3355467643,0.0,-0.005652897,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Sm,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Sm +mp-1220425,Nb6BiSe8,-7.1331142373,-0.9720734912,0.0864409133,0.0864409133,GGA,P-3,AB6C8_hP15_147_a_g_dg:Bi-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:Bi-Nb-Se +mp-1208899,Sm2(Al3Ir)3,-5.8373129314,-0.8614088400000001,0.0,-0.1769774007,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Sm +mp-973894,LaNdZn2,-3.3693005275,-0.3133900881,0.00188449,0.00188449,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:La-Nd-Zn +mp-862705,AlZnIr2,-6.2765987375,-0.6060517875,0.0,-0.02955991,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ir-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Ir-Zn +mp-1224502,HfAlCo,-7.4281150683,-0.4910875167,0.0376418906,0.0376418906,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Hf, expected Hf3(AlCo)2 to be HfAlCo" +mp-1224408,Hf6Al2Co,-8.5958159144,-0.3355266217,0.0,-0.0339756338,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Al-Co-Hf,9.0,A2BC6_hP9_189_c_b_fg:Al-Co-Hf +mp-5221,HfAlCo2,-7.5655283725,-0.58567826,0.0,-0.0793753888,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Hf,4.0,AB2C_cF16_225_a_c_b:Al-Co-Hf +mp-1193847,Hf6Al16Co7,-6.3903921045,-0.5479585864000001,0.0,-0.0268715825,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Co-Hf,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Co-Hf +mp-1224377,Hf2Al3Co,-6.8664087558,-0.4898381983,0.0064228202,0.0064228202,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Co-Hf,12.0,A3BC2_hP12_194_h_a_f:Al-Co-Hf +mp-1187931,YbAlZn2,-2.247620945,-0.2964531125,0.0199994823,0.0199994823,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Yb-Zn,,ABC2_cF16_225_a_b_c:Al-Yb-Zn +mp-1097550,HfTiBe2,-2.7305333750000003,3.6023433192,3.7476803263,3.7476803263,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Hf-Ti,4.0,A2BC_oI8_71_e_a_b:Be-Hf-Ti +mp-1105606,TiGeIr,-7.826669035,-0.7076843511,0.0111019358,-0.0845873315,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Ir-Ti,18.0,ABC_oI36_46_bc_ac_3b:Ge-Ir-Ti +mp-1103158,TiGeIr,-7.8377709708,-0.7187862869,0.0,-0.0956892674,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Ti,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Ti +mp-1185744,Mg17Al11Rh,-2.6984382662,-0.0856657541,0.031606291,0.031606291,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Rh,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Rh, expected Mg27Al19Rh to be Mg17Al11Rh" +mp-1185703,Mg16Al12Rh,-2.7500362248,-0.0632879962,0.0539666667,0.0539666667,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Rh,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Rh, expected Mg49Al39Rh to be Mg16Al12Rh" +mp-865155,MgAlRh2,-5.86035119,-0.841733285,0.0,-0.0648126275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Rh +mp-1213857,CeSiSn2,-5.053978425,-0.2095907013,0.3002950162,0.3002950162,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Si-Sn,,ABC2_oC16_63_c_c_2c:Ce-Si-Sn +mp-1205534,Ce2Si2Sn,-5.955509311,-0.610232066,0.0,-0.0011983226,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Si-Sn,10.0,A2B2C_tP10_127_h_g_a:Ce-Si-Sn +mp-1213874,Ce3Si2Sn3,-5.4832003269000005,-0.3983729406,0.2044792727,0.2044792727,GGA,P6_3/mmc,A3B2C3_hP16_194_cf_e_af:Ce-Si-Sn,16.0,A3B2C3_hP16_194_cf_e_af:Ce-Si-Sn +mp-1183120,Ac2CuRu,-5.447305975,-0.0433161687,0.0,-0.0171151452,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cu-Ru,4.0,A2BC_cF16_225_c_a_b:Ac-Cu-Ru +mp-1184371,Gd2AgIr,-10.518017895,-0.5622092292,0.0,-0.2144128778,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Ir,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Ir +mp-865038,HfTaTc2,-11.15082697,-0.5167658325,0.0,-0.025840155,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Ta-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Ta-Tc +mp-864916,Hf2TcRh,-10.189928635,-0.7800974162000001,0.0,-0.1088186025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Rh-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Rh-Tc +mp-867327,Hf2TcRu,-10.564331575,-0.6769766887,0.0,-0.0204335875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ru-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Ru-Tc +mp-1102478,ErAsPt,-6.2830099983,-1.1836864867,0.0077783411,0.0077783411,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Er-Pt,12.0,ABC_hP12_194_f_ab_f:As-Er-Pt +mp-1184169,ErLuHg2,-2.8975007525,-0.4734932375,0.004900415,0.004900415,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Lu,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Lu +mp-1215244,ZrNb2Pd9,-6.821451535,-0.5406809517,0.0161607601,0.0161607601,GGA,I4/mmm,A2B9C_tI24_139_e_adeg_b:Nb-Pd-Zr,12.0,"Invalid WP multiplicities - A2B9C_tI24_139_e_a2de3g_b:Nb-Pd-Zr, expected ZrNb2Pd19 to be ZrNb2Pd9" +mp-865903,YbPmPt2,-5.734823985,-1.1267196744,0.0,-0.3175455719,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Pt-Yb,,AB2C_cF16_225_a_c_b:Pm-Pt-Yb +mp-11873,TlAsPd5,-5.0578226314,-0.3547982598,0.0,-0.0525795543,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:As-Pd-Tl,7.0,AB5C_tP7_123_b_ai_c:As-Pd-Tl +mp-1216622,TlAsPd6,-4.9747599112,-0.2121283598,0.0994784298,0.0994784298,GGA,R-3m,AB6C_hR24_166_a_3c_b:As-Pd-Tl,8.0,"Invalid WP multiplicities - AB6C_hR24_166_a_4c_b:As-Pd-Tl, expected TlAsPd8 to be TlAsPd6" +mp-1187401,ThAgHg2,-2.9165751125,-0.2031313667,0.0092204628,0.0092204628,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Th,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Th +mp-29950,Nb3Cl8,-5.8153896686,-1.7160979959,0.0,-0.0196427826,GGA,P-3m1,A8B3_hP22_164_2d2i_i:Cl-Nb,22.0,A8B3_hP22_164_2d2i_i:Cl-Nb +mp-23307,NbCl5,-4.9669153969,-1.7429173403,0.0,-0.2873276519,GGA,C2/m,A5B_mC72_12_3i6j_gj:Cl-Nb,36.0,"Invalid WP multiplicities - A5B_mC72_12_3i7j_gj:Cl-Nb, expected Nb3Cl17 to be NbCl5" +mp-568483,NbCl5,-4.9659013667,-1.74190331,0.0010140303,-0.2863136217,GGA,P2_1/c,A5B_mP24_14_5e_e:Cl-Nb,24.0,"Invalid WP multiplicities - A5B_mP24_14_16e_e:Cl-Nb, expected NbCl16 to be NbCl5" +mp-27880,Nb3Cl7,-6.0019777325,-1.6776105585,0.0,-0.0258662374,GGA,Cmce,A7B3_oC80_64_def2g_fg:Cl-Nb,40.0,A7B3_oC80_64_def2g_fg:Cl-Nb +mp-31040,NbCl4,-5.245797962,-1.746707626,0.0,-0.0122192225,GGA,C2/m,A4B_mC20_12_2ij_g:Cl-Nb,10.0,A4B_mC20_12_2ij_g:Cl-Nb +mp-862961,PmSnRh2,-6.550270775,-0.6780882956000001,0.0,-0.2587310985,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Sn +mp-1186660,PuCdHg2,-4.108450525,-0.15892832,0.0,-0.0642280507,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Pu,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Pu +mp-1197139,PuCd11,-2.0826967936,-0.0477279861,0.0,-0.0477279861,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Pu,36.0,A11B_cP36_221_agij_c:Cd-Pu +mp-1077279,DyNi4Au,-5.5556884267,-0.3888191667,0.0,-0.007105335,GGA,F-43m,ABC4_cF24_216_a_c_e:Au-Dy-Ni,6.0,ABC4_cF24_216_a_c_e:Au-Dy-Ni +mp-1210524,Lu5SbPt2,-5.8793783044,-1.0198757444,0.02033349,0.02033349,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Lu-Pt-Sb,16.0,A5B2C_tI32_140_cl_h_a:Lu-Pt-Sb +mp-10194,LuSbPt,-6.17532678,-1.26829842,0.0,-0.2558716152,GGA,F-43m,ABC_cF12_216_a_c_b:Lu-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Lu-Pt-Sb +mp-1227658,BaSr3Ag4,-2.5926816313,-0.3029717171,0.0062997217,0.0062997217,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:Ag-Ba-Sr,8.0,A4BC3_mP8_6_2a2b_a_a2b:Ag-Ba-Sr +mp-1228028,Ba3SrAg4,-2.6331360513,-0.2860557654,0.0044924889,0.0044924889,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:Ag-Ba-Sr,8.0,A4B3C_mP8_6_2a2b_a2b_a:Ag-Ba-Sr +mp-1093927,BaSrAg2,-1.299891225,1.018503875,1.3184137216,1.3184137216,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ba-Sr,4.0,A2BC_oI8_71_e_a_b:Ag-Ba-Sr +mp-1096476,LiLa2Cd,-1.0803358775,2.0956208317,2.264140165,2.264140165,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-La-Li,4.0,AB2C_oI8_71_a_e_b:Cd-La-Li +mp-1079959,Th(GeIr)2,-7.694515813,-0.8271593490000001,0.0,-0.2286510658,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Th,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Th +mp-1206256,Th2(GeIr)3,-6.18193644,0.7195763856,1.5582724425,1.5582724425,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Th,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Th +mp-961654,TaMnAs,-8.1610635833,0.3985735257,0.7747261931,0.7747261931,GGA,F-43m,ABC_cF12_216_a_b_c:As-Mn-Ta,3.0,ABC_cF12_216_a_b_c:As-Mn-Ta +mp-1077837,LaScGe,-6.0147062683,-0.7175382467,0.0,-0.0204364239,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-La-Sc,6.0,ABC_tI12_139_e_e_c:Ge-La-Sc +mp-1080680,YbCdSn,-2.6810665933,-0.5237099617000001,0.0,-0.0611060854,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Sn-Yb,,ABC_hP9_189_f_bc_g:Cd-Sn-Yb +mp-865918,Yb2CdSn,-2.6074729375,-0.6045533937,0.0,-0.066941565,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Sn-Yb,,ABC2_cF16_225_a_b_c:Cd-Sn-Yb +mp-676270,Cr2AsSe,-6.994711625,-0.1294304193,0.2970948267,0.2970948267,GGA,P-6m2,AB2C_hP4_187_a_i_d:As-Cr-Se,4.0,AB2C_hP4_187_a_i_d:As-Cr-Se +mp-38021,Cr2AsSe,-7.1879461025,-0.3226648968,0.1038603492,0.1038603492,GGA,P-6m2,AB2C_hP4_187_a_i_d:As-Cr-Se,4.0,AB2C_hP4_187_a_i_d:As-Cr-Se +mp-865107,NaMgPb2,-2.7103918575,-0.1233669866,0.0,-0.003725609,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Na-Pb,4.0,ABC2_cF16_225_a_b_c:Mg-Na-Pb +mp-1078372,Na2MgPb,-2.1190143212,-0.1295198945,0.0,-0.0075452833,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Mg-Na-Pb,8.0,AB2C_hP8_194_b_f_c:Mg-Na-Pb +mp-1185766,Mg2IrRh,-5.2208586725,-0.370033135,0.0505101966,0.0505101966,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Mg-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Mg-Rh +mp-30022,Eu(AlCl4)2,-5.1949689745,-2.23711018,0.0,-0.0495423845,GGA,P2/c,A2B8C_mP22_13_g_4g_e:Al-Cl-Eu,22.0,"Invalid WP multiplicities - A2B8C_mP22_13_g_5g_e:Al-Cl-Eu, expected Eu(AlCl5)2 to be Eu(AlCl4)2" +mp-1184216,ErMgAu2,-3.9690106875,-0.7900699725,0.0,-0.0366911112,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Er-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Er-Mg +mp-1205975,ErMgAu,-3.8286940789,-0.6814004589,0.0,-0.0734477932,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Er-Mg,9.0,ABC_hP9_189_ad_f_g:Au-Er-Mg +mp-864980,MnAlRu2,-8.2782739675,-0.414174917,0.0,-0.0761105359,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Mn-Ru +mp-11156,TmMgGa,-3.507643,-0.4729058347,0.0,-0.0508405643,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Tm,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Tm +mp-962077,TiAuCl,-4.2633357067,0.0759678522,1.2327903411,1.2327903411,GGA,F-43m,ABC_cF12_216_a_c_b:Au-Cl-Ti,3.0,ABC_cF12_216_a_c_b:Au-Cl-Ti +mp-22383,Pu(CoSi)2,-8.491596232,-0.6245742360000001,0.0,-0.160258541,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Pu-Si +mp-1097179,ZnSiTc2,-4.0392400525,2.81234483,3.075399489,3.075399489,GGA,Immm,AB2C_oI8_71_a_e_b:Si-Tc-Zn,4.0,AB2C_oI8_71_a_e_b:Si-Tc-Zn +mp-1072033,DyCu4Ag,-4.21062875,-0.2379338294,0.0,-0.0475014088,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Dy,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Dy +mp-1225292,Dy2CuAg3,-3.9042288267,-0.2691541,0.0451692933,0.0451692933,GGA,P4mm,A3BC2_tP6_99_a2b_a_ab:Ag-Cu-Dy,6.0,A3BC2_tP6_99_a2b_a_ab:Ag-Cu-Dy +mp-1185329,LiAcRh2,-5.551246285,-0.3615678815,0.0,-0.2462857294,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Ac-Li-Rh +mp-1185506,LuScHg2,-3.3088400925,-0.4436450037,0.0070238675,0.0070238675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Sc,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Sc +mp-1210506,Na3HoBr6,-3.8520476875,-2.0652322145,0.0,-0.011857553,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Br-Ho-Na,20.0,A6BC3_mP20_14_3e_a_be:Br-Ho-Na +mp-631412,NbRu2Cl,-7.1111253825,0.5135363125,1.1885727462,1.1885727462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cl-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Cl-Nb-Ru +mp-972174,YbLuTl2,-3.05823629,-0.3617750167,0.00962719,0.00962719,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tl-Yb,,AB2C_cF16_225_a_c_b:Lu-Tl-Yb +mp-1186631,PmPrTl2,-3.95726806,-0.3930844673,0.0,-0.0679115269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Pm-Pr-Tl +mp-1183831,DyLuRh2,-6.9068045425,-0.9427162675,0.014202255,0.014202255,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Dy-Lu-Rh +mp-1184821,HoRh2Pb,-6.3233120225,-0.5673941025,0.0,-0.0033102763,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Ho-Pb-Rh +mp-866005,Dy2TlCd,-3.4652331475,-0.3404565008,0.0,-0.015632575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Dy-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Dy-Tl +mp-865364,DyTaRu2,-9.1155154275,-0.36217304,0.0,-0.0324235082,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Ta +mp-867834,LiHfPt2,-6.9455488225,-0.9434541883,0.0,-0.0371648164,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Li-Pt,4.0,ABC2_cF16_225_a_b_c:Hf-Li-Pt +mp-1018106,YbBiPt,-4.6607474533,-0.8436705433,0.0,-0.0184373167,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pt-Yb,,ABC_cF12_216_a_c_b:Bi-Pt-Yb +mp-1225430,Dy(Fe5Re)2,-8.8210978208,-0.0367860277,0.0145741085,0.0145741085,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Dy-Fe-Re,13.0,AB10C2_oI26_71_a_efhk_g:Dy-Fe-Re +mp-1184616,Ho2MgOs,-5.661981625,-0.16386532,0.0564359355,0.0564359355,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Mg-Os,4.0,A2BC_cF16_225_c_a_b:Ho-Mg-Os +mp-569590,Yb4Sb6Rh7,-5.6923780253,-0.8404606341,0.0,-0.1251772996,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Rh-Sb-Yb,,"Invalid WP multiplicities - A7B6C4_cI34_229_a2d_e_c:Rh-Sb-Yb, expected Yb4Sb6Rh13 to be Yb4Sb6Rh7" +mp-1095828,ZrGaIr2,-5.028849105,2.2843171481,2.967545361,2.967545361,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ir-Zr,4.0,AB2C_oI8_71_a_e_b:Ga-Ir-Zr +mp-1194195,Zr6Ga16Ir7,-6.1800607369,-0.6074821369,0.0,-0.0330870509,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Zr +mp-1187627,YbNdAu2,-4.0987959725,-0.8849160444,0.0,-0.0027840181,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Nd-Yb,,A2BC_cF16_225_c_a_b:Au-Nd-Yb +mp-10697,Sr(GeRh)2,-5.916660738,-0.7838277573,0.0,-0.2606240045,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Sr +mp-16258,CaCdGe,-3.0110402711,-0.4938677728,0.0,-0.0464482231,GGA,P-62m,ABC_hP9_189_f_g_ad:Ca-Cd-Ge,9.0,ABC_hP9_189_f_g_ad:Ca-Cd-Ge +mp-1093877,Ca2CdGe,-1.2346811775,1.1545981663,1.6752101019,1.6752101019,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Ge,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Ge +mp-1093579,Mg2IrPd,-2.327416085,1.9773029375,2.5363355941,2.5363355941,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Ir-Mg-Pd +mp-1185767,Mg2IrPd,-4.826754185,-0.5220351625,0.0369974941,0.0369974941,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Ir-Mg-Pd +mp-1183066,Ac2ZnAu,-3.698751165,-0.5047572588,0.0,-0.1915307612,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Au-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Au-Zn +mp-861734,AcZnAu2,-3.519763175,-0.5375925206000001,0.0052688517,0.0052688517,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Zn,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Zn +mp-1096533,Mg2TlHg,-0.48154115,0.9851797529,1.136769109,1.136769109,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Tl +mp-1212260,Ho3(Al3Ru)4,-5.7051969455,-0.663526065,0.0,-0.0374167183,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Ho-Ru,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Ho-Ru +mp-1184583,Ho2AlRu,-5.9194962825,-0.373297255,0.1106124748,0.1106124748,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ho-Ru,4.0,AB2C_cF16_225_a_c_b:Al-Ho-Ru +mp-1212388,Ho(Al5Ru)2,-5.1750016442,-0.5144653173,0.0,-0.03284475,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Ho-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Ho-Ru +mp-1213274,Dy6Ta4Al43,-4.7633569511000005,-0.3080438898,0.0,-0.0174127468,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Ta +mp-1213083,Dy2(Al3Rh)3,-5.4753116468,-0.8312630925000001,0.0,-0.1034807205,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Dy-Rh +mp-1215177,ZrTiMo4,-10.0309267217,-0.0599612072,0.0751480037,0.0751480037,GGA,F-43m,A4BC_cF24_216_e_a_c:Mo-Ti-Zr,6.0,A4BC_cF24_216_e_a_c:Mo-Ti-Zr +mp-1096596,TiCuAu2,-2.940717625,1.6948980467,2.012252055,2.012252055,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Ti +mp-1097572,TiCu2Au,-2.7807565725,2.0611902667,2.2752747575,2.2752747575,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Ti,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Ti +mp-1229039,Al3ZnNi12,-5.4691851613,-0.3530532075,0.0043897081,0.0043897081,GGA,P4/mmm,A3B12C_tP16_123_ag_cdh2i_b:Al-Ni-Zn,16.0,"Invalid WP multiplicities - A3B12C_tP16_123_a2g_cd2h5i_b:Al-Ni-Zn, expected Al5ZnNi26 to be Al3ZnNi12" +mp-1093891,AlZnNi2,-2.3300963275,1.8113018725,2.2682071375,2.2682071375,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ni-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Ni-Zn +mp-866183,Ti2ZnRe,-7.688712355,-0.3148986479,0.0,-0.0194635825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Ti-Zn,4.0,AB2C_cF16_225_a_c_b:Re-Ti-Zn +mp-1195505,Sc2Si4Mo3,-8.1314932136,-0.6978086958,0.0,-0.1279443698,GGA,Pnma,A3B2C4_oP36_62_cd_d_2cd:Mo-Sc-Si,36.0,A3B2C4_oP36_62_cd_d_2cd:Mo-Sc-Si +mp-1219406,Sc3Si3Mo2,-7.5396923119,-0.4191096087,0.2350829402,0.2350829402,GGA,Amm2,A2B3C3_oC32_38_abd_ef_abde:Mo-Sc-Si,16.0,A2B3C3_oC32_38_abd_ef_abde:Mo-Sc-Si +mp-982772,Pm2PtAu,-5.6366214325,-0.9250964412,0.0,-0.6976868988,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Au-Pm-Pt +mp-862841,LiPm2Os,-5.7740043175,-0.1146605821,0.0,-0.1146605821,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Pm,4.0,ABC2_cF16_225_a_b_c:Li-Os-Pm +mp-1184742,GdZrRu2,-10.7275465325,-0.434389545,0.0,-0.009358255,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Gd-Ru-Zr +mp-631427,CuIrBr,-3.85818707,0.97203599,1.34508354,1.34508354,GGA,F-43m,ABC_cF12_216_a_c_b:Br-Cu-Ir,3.0,ABC_cF12_216_a_c_b:Br-Cu-Ir +mp-1186309,NdHoTl2,-3.873383915,-0.354423266,0.0,-0.00076429,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Nd-Tl +mp-1187467,ThBiAu2,-5.006902335,-0.55637449,0.0276514059,0.0276514059,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Th,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Th +mp-1212836,DySbIr,-6.757011835,-0.8989377483000001,0.0223316805,0.0223316805,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ir-Sb,12.0,ABC_oP12_62_c_c_c:Dy-Ir-Sb +mp-31454,TaSbRu,-8.86336595,-0.4429721467,0.0,-0.1164455195,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Sb-Ta,3.0,ABC_cF12_216_c_a_b:Ru-Sb-Ta +mp-1095946,Ag2HgAu,-1.3607487075,0.9499198854,0.9806254038,0.9806254038,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Au-Hg,4.0,A2BC_oI8_71_e_a_b:Ag-Au-Hg +mp-1097629,ZrTaOs2,-6.6512563325,4.0637969475,4.4747191425,4.4747191425,GGA,Immm,A2BC_oI8_71_e_a_b:Os-Ta-Zr,4.0,A2BC_oI8_71_e_a_b:Os-Ta-Zr +mp-1184281,Eu2TlCd,-6.3580659725,-0.4081818458,0.0,-0.090454849,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Tl +mp-861902,EuTl2Cd,-4.256731405,-0.2804369417,0.0,-0.0019937483,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Eu-Tl,4.0,ABC2_cF16_225_a_b_c:Cd-Eu-Tl +mp-972327,Zr2CoOs,-9.2884904675,-0.4307188463,0.0,-0.019510725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Os-Zr,4.0,ABC2_cF16_225_a_b_c:Co-Os-Zr +mp-1208418,Tb5BiPt2,-5.8105134137,-0.91619013,0.0,-0.0008586713,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pt-Tb,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pt-Tb +mp-1206989,TbBiPt,-5.9015038467,-1.0528409967,0.0,-0.1911630112,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pt-Tb,3.0,ABC_cF12_216_a_c_b:Bi-Pt-Tb +mp-1224689,GdErCo4,-8.0554620967,-0.209276725,0.0,-0.0292712755,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Er-Gd,6.0,A4BC_cF24_216_e_a_c:Co-Er-Gd +mp-29912,Sb2MoSe,-6.134641805,-0.4847507881,0.0,-0.0526844396,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:Mo-Sb-Se,32.0,AB2C_mP32_14_2e_4e_2e:Mo-Sb-Se +mp-1224516,Ge3Te3Ir2,-5.2715003994,-0.1495166988,0.2534933009,0.2534933009,GGA,C2/m,A3B2C3_mC32_12_ij_ef_ij:Ge-Ir-Te,16.0,"Invalid WP multiplicities - A3B2C3_mC32_12_ij_2e2f_ij:Ge-Ir-Te, expected Ge3Te3Ir4 to be Ge3Te3Ir2" +mp-1187345,TbErIr2,-7.567609665,-0.8478713475,0.0139467098,0.0139467098,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ir-Tb,4.0,AB2C_cF16_225_a_c_b:Er-Ir-Tb +mp-1103943,ErGa3Ru,-5.1693197387,-0.5840378552000001,0.0,-0.0435921723,GGA,Pm-3m,AB3C_cP15_221_d_ag_c:Er-Ga-Ru,15.0,AB3C_cP15_221_d_ag_c:Er-Ga-Ru +mp-1213476,Er3Ga15Ru4,-4.883391459,-0.5096547805,0.0,-0.006943071,GGA,Pnma,A3B15C4_oP88_62_3c_5c5d_2d:Er-Ga-Ru,88.0,A3B15C4_oP88_62_3c_5c5d_2d:Er-Ga-Ru +mp-1212887,Er2(Ga3Ru)3,-5.115428655,-0.5288922663,0.0,-0.0011121063,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Ru,28.0,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Ru +mp-1184112,Er2MgOs,-5.6717768525,-0.1810055775,0.0526756824,0.0526756824,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Mg-Os,4.0,A2BC_cF16_225_c_a_b:Er-Mg-Os +mp-1078411,Sr(SnAu)2,-3.810315024,-0.5590347913,0.0,-0.0351111454,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Au-Sn-Sr,10.0,A2B2C_tP10_129_ac_bc_c:Au-Sn-Sr +mp-1218558,Sr4Sn9Au7,-3.8076976385,-0.5196329131,0.0108076067,0.0108076067,GGA,P-4m2,A7B9C4_tP20_115_abc2g_def2g_2g:Au-Sn-Sr,20.0,"Invalid WP multiplicities - A7B9C4_tP20_115_abc4g_def4g_4g:Au-Sn-Sr, expected Sr8Sn13Au11 to be Sr4Sn9Au7" +mp-1218548,Sr3Sn3Au8,-3.6486972164,-0.5566792218000001,0.0068276486,0.0029672352,GGA,C2/m,A8B3C3_mC28_12_4i_ai_ci:Au-Sn-Sr,14.0,A8B3C3_mC28_12_4i_ai_ci:Au-Sn-Sr +mp-1194481,Sr3Sn3Au8,-3.655524865,-0.5635068704,0.0,-0.0038604133,GGA,Pnnm,A8B3C3_oP28_58_4g_ag_cg:Au-Sn-Sr,28.0,A8B3C3_oP28_58_4g_ag_cg:Au-Sn-Sr +mp-31281,SrSnAu,-3.7320786117,-0.7410961756000001,0.0,-0.0984332108,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Au-Sn-Sr,36.0,"Invalid WP multiplicities - ABC_oP36_62_11c_9c_10c:Au-Sn-Sr, expected Sr10Sn9Au11 to be SrSnAu" +mp-978536,SmHoHg2,-2.946508535,-0.4694196012,0.0,-0.0712771381,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Sm,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Sm +mp-1208060,Tm4MgCo,-4.5979344204,-0.162611164,0.0,-0.0545195728,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Mg-Tm,24.0,ABC4_cF96_216_e_e_efg:Co-Mg-Tm +mp-1205956,Lu2CoGe6,-5.3067874578,-0.4303001283,0.0457476918,0.0457476918,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Lu,9.0,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Lu +mp-571552,Lu(CoGe)2,-6.177992492,-0.581264128,0.0,-0.072816694,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Lu,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Lu +mp-1210890,Lu(Co2Ge)2,-6.4182715921,-0.3896605336,0.0255281293,0.0255281293,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Co-Ge-Lu,14.0,A4B2C_tP14_136_i_f_a:Co-Ge-Lu +mp-1203436,Lu3Co4Ge13,-5.4944333342,-0.3896590915,0.0053477568,0.0053477568,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Lu,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Lu +mp-973938,LuCoGe2,-5.776702785,-0.5578717788,0.0607950192,0.0607950192,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Lu,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Lu +mp-1091386,Lu2CoGe2,-5.826848411,-0.7475935020000001,0.0,-0.0245930484,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Lu,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Lu +mp-1103331,LuCoGe,-6.0930977958,-0.6756657392000001,0.0,-0.0483567393,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Lu,12.0,ABC_oP12_62_c_c_c:Co-Ge-Lu +mp-1104467,Lu(CoGe)6,-6.1163247231,-0.3540920754,0.0032730562,0.0032730562,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Lu,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Lu +mp-1200552,Lu5(Co2Ge5)2,-5.7478939389,-0.6285096058,0.0,-0.0491053797,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Lu,38.0,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Lu +mp-10386,Sm3CrSe6,-6.30815868,-1.8297312059,0.0016461749,0.0016461749,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-Se-Sm,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-Se-Sm +mp-867177,PrCdHg2,-1.99479561,-0.4170065487,0.0,-0.0457632275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Pr,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Pr +mp-1186682,Pr2CdHg,-3.0833896775,-0.3862942687,0.0095442225,0.0095442225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Pr,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Pr +mp-1187435,ThZnAu2,-4.35588518,-0.550543715,0.0149728241,0.0149728241,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Th-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Th-Zn +mp-1080177,PuAlNi,-7.7880743811,0.1431092322,0.5823358956,0.5823358956,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Pu,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Pu +mp-1183638,CaGdZn2,-4.94796481,-0.297662475,0.0094705247,0.0094705247,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Gd-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Gd-Zn +mp-11152,SiSbPt,-5.7586336067,-0.5501494100000001,0.0,-0.0950989133,GGA,Pbca,ABC_oP24_61_c_c_c:Pt-Sb-Si,24.0,ABC_oP24_61_c_c_c:Pt-Sb-Si +mp-1025366,SiSbPt5,-6.14224147,-0.4408149171,0.011533775,0.011533775,GGA,P4/mmm,A5BC_tP7_123_ai_c_b:Pt-Sb-Si,7.0,A5BC_tP7_123_ai_c_b:Pt-Sb-Si +mp-1078014,SiSbPt5,-5.99103471,-0.2896081571,0.162740535,0.162740535,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Pt-Sb-Si,7.0,A5BC_tP7_123_ai_b_c:Pt-Sb-Si +mp-1217831,Tb10(SiSb)3,-5.5124331731,-0.8245194975,0.0012207806,0.0012207806,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Sb-Si-Tb,16.0,A3B3C10_hP16_189_f_g_fgh:Sb-Si-Tb +mp-1208415,Tb5(SiSb)2,-5.64745853,-0.9496286367,0.0,-0.0132575556,GGA,Cmce,A2B2C5_oC36_64_d_f_ag:Sb-Si-Tb,18.0,A2B2C5_oC36_64_d_f_ag:Sb-Si-Tb +mp-9867,Ba2Si3Ag,-4.2613297992,-0.4369198036,0.0,-0.1284713734,GGA,Fddd,AB2C3_oF96_70_e_2f_eh:Ag-Ba-Si,24.0,"Invalid WP multiplicities - AB2C3_oF96_70_e_2f_e2h:Ag-Ba-Si, expected Ba2Si5Ag to be Ba2Si3Ag" +mp-1205894,Nd2(SiIr)3,-5.8155080625,0.7254358744,1.7300755769,1.7300755769,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Ir-Nd-Si,8.0,A3B2C3_tP8_123_ag_g_bg:Ir-Nd-Si +mp-1070369,NdSi3Ir,-6.791603232,-0.8150960915000001,0.0,-0.131047623,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ir-Nd-Si,5.0,ABC3_tI10_107_a_a_ab:Ir-Nd-Si +mp-1102140,NdSiIr,-7.298514255,-0.9545477075,0.0,-0.0514642446,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-Nd-Si,12.0,ABC_cP12_198_a_a_a:Ir-Nd-Si +mp-1079449,Nd(SiIr)2,-7.672757607,-1.0136272365,0.021067663,-0.0955255087,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ir-Nd-Si,10.0,A2BC2_tP10_129_ac_c_bc:Ir-Nd-Si +mp-567130,Nd(SiIr)2,-7.69382527,-1.0346948995,0.0,-0.1165931717,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ir-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Ir-Nd-Si +mp-1069191,Nd(SiIr)2,-7.522881948,-0.8637515775,0.170943322,0.0543501503,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ir-Nd-Si,5.0,A2BC2_tI10_139_e_a_d:Ir-Nd-Si +mp-1209840,NdSi2Ir3,-7.97425692,-0.9519092479,0.0,-0.0863377728,GGA,Imma,A3BC2_oI24_74_ag_e_i:Ir-Nd-Si,12.0,A3BC2_oI24_74_ag_e_i:Ir-Nd-Si +mp-973099,La2PdRu,-6.529977265,-0.448402625,0.0677742764,0.0677742764,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:La-Pd-Ru +mp-1025116,TmCu4Ag,-4.19729673,-0.2464270456,0.0,-0.053498568,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Tm,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Tm +mp-865130,Hf2MoRh,-10.06117309,-0.53008908,0.0,-0.0207946891,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Mo-Rh,4.0,A2BC_cF16_225_c_a_b:Hf-Mo-Rh +mp-865220,Dy2CuRu,-5.9859374225,-0.3391417,0.0,-0.0203584111,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Dy-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Dy-Ru +mp-1097645,HfScTl2,-2.8338616875,2.4198744196,2.4893284153,2.4893284153,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Sc-Tl,4.0,ABC2_oI8_71_a_b_e:Hf-Sc-Tl +mp-1096108,Zr2MoPt,-5.39574617,3.1073000025,3.7010196138,3.7010196138,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Mo-Pt-Zr +mp-1097534,NbTc2Sn,-5.31424981,3.3937888863,3.55819724,3.4783371775000003,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Sn-Tc,4.0,ABC2_oI8_71_a_b_e:Nb-Sn-Tc +mp-1186232,NbTc2Sn,-8.87244705,-0.1644083537,0.0,-0.0798600625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Sn-Tc,4.0,ABC2_cF16_225_a_b_c:Nb-Sn-Tc +mp-1208365,Th6MnBr15,-5.4645335086,-1.9672339749,0.0,-0.0595576067,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Br-Mn-Th,22.0,A15BC6_cI44_229_bh_a_e:Br-Mn-Th +mp-862956,PmSnAu2,-4.5266757725,-0.6997062281,0.0,-0.0957972208,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Pm-Sn +mp-865467,Pm2SnAu,-4.914818285,-0.7186836600000001,0.0,-0.1508530362,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Au-Pm-Sn +mp-1097127,NaBiPd2,-2.46754505,1.4131494609,1.7229918717,1.7229918717,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Na-Pd,4.0,ABC2_oI8_71_a_b_e:Bi-Na-Pd +mp-1186107,NaBiPd2,-4.1662875875,-0.2855930766,0.0242493342,0.0242493342,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Na-Pd,4.0,ABC2_cF16_225_a_b_c:Bi-Na-Pd +mp-1225153,EuCu4Pd,-5.5564689317,-0.25085055,0.0,-0.0133892725,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Cu-Eu-Pd,6.0,A4BC_hP6_187_ak_c_e:Cu-Eu-Pd +mp-1225157,EuCu3Pd2,-5.8478198467,-0.3620889417,0.0,-0.0025907367,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Cu-Eu-Pd,6.0,A3BC2_hP6_191_g_a_c:Cu-Eu-Pd +mp-1024994,HoCu4Au,-4.3906669967,-0.3484807383,0.0,-0.0304826425,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-Ho,6.0,AB4C_cF24_216_a_e_c:Au-Cu-Ho +mp-867256,DyCdAg2,-3.0848943825,-0.2861972308,0.0,-0.0156280863,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Dy,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Dy +mp-1185484,LiPmIn2,-3.4311218175,-0.3904136552,0.0,-0.0041070737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Pm,4.0,A2BC_cF16_225_c_a_b:In-Li-Pm +mp-862930,Li2PmIn,-3.1429976725,-0.312979726,0.0,-0.0866503228,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Pm,4.0,AB2C_cF16_225_a_c_b:In-Li-Pm +mp-1218955,SnBi3Te4,-3.8654071233,-0.352374271,0.1002080029,0.1002080029,GGA,Cm,A3BC4_mC48_8_9a_3a_12a:Bi-Sn-Te,24.0,A3BC4_mC48_8_9a_3a_12a:Bi-Sn-Te +mp-1218987,Sn3BiTe4,-3.9838356237,-0.4285320902,0.0537682117,0.0537682117,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:Bi-Sn-Te,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_4c:Bi-Sn-Te, expected Sn5BiTe8 to be Sn3BiTe4" +mp-1101917,SnBi4Te7,-3.9562208033,-0.5083316676,0.0017947092,0.0017947092,GGA,P-3m1,A4BC7_hP12_164_2d_a_bc2d:Bi-Sn-Te,12.0,A4BC7_hP12_164_2d_a_bc2d:Bi-Sn-Te +mp-677596,Sn(BiTe2)2,-3.9468281943,-0.4805748102,0.03028968,0.0261608071,GGA,Cm,A2BC4_mC70_8_10a_5a_20a:Bi-Sn-Te,35.0,A2BC4_mC70_8_10a_5a_20a:Bi-Sn-Te +mp-38605,Sn(BiTe2)2,-3.9771178743,-0.5108644902,0.0,-0.0041288729,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-Sn-Te,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_3c:Bi-Sn-Te, expected Sn(BiTe3)2 to be Sn(BiTe2)2" +mp-1078876,ErSnIr,-6.6568764122,-0.8516347972,0.0,-0.1505649131,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Ir-Sn,9.0,ABC_hP9_189_f_ad_g:Er-Ir-Sn +mp-1068398,Eu(GeAu)2,-5.719874732,-0.50971043,0.0,-0.0426550268,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Eu-Ge,5.0,A2BC2_tI10_139_d_a_e:Au-Eu-Ge +mp-1102390,Eu2Ge3Au,-6.939162015,-0.6630004875000001,0.0,-0.0156528625,GGA,Fmmm,AB2C3_oF48_69_g_fh_gn:Au-Eu-Ge,12.0,AB2C3_oF48_69_g_fh_gn:Au-Eu-Ge +mp-1225433,Eu2Ge3Au,-6.8813831883,-0.6052216608000001,0.0577788267,0.0421259642,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Au-Eu-Ge,6.0,AB2C3_hP6_187_a_i_bcd:Au-Eu-Ge +mp-9293,EuGeAu,-6.7990835,-0.747779615,0.0,-0.0544146428,GGA,Imm2,ABC_oI12_44_c_ab_c:Au-Eu-Ge,6.0,ABC_oI12_44_c_ab_c:Au-Eu-Ge +mp-1095908,Ca2CuPd,-2.223380815,1.099191245,1.5493490539,1.5493490539,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Ca-Cu-Pd +mp-861728,PuSbPd2,-7.2625643475,-0.07341355,0.5511766810000001,0.5511766810000001,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Pu-Sb,4.0,A2BC_cF16_225_c_a_b:Pd-Pu-Sb +mp-20723,Ca2PbAu2,-3.55534505,-0.701022884,0.0,-0.0387952175,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Ca-Pb,10.0,A2B2C_tP10_127_g_h_a:Au-Ca-Pb +mp-1096267,CaPbAu2,-2.262420065,0.8040826725,1.3376095962,1.3376095962,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Pb,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Pb +mp-1097090,Ca2PbAu,-1.8698550725,0.879577135,1.54531974,1.54531974,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-Pb,4.0,AB2C_oI8_71_a_e_b:Au-Ca-Pb +mp-1183607,Ca2PbAu,-3.3945059125,-0.645073705,0.0206689,0.0206689,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ca-Pb,4.0,AB2C_cF16_225_a_c_b:Au-Ca-Pb +mp-862744,Pm2ZnIr,-5.41346668,-0.5136510712,0.0,-0.406585859,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Pm-Zn +mp-1102310,HfCoGe,-7.9013869175,-0.6718753575,0.0,-0.0742481797,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Hf,12.0,ABC_oP12_62_c_c_c:Co-Ge-Hf +mp-672657,Hf6Co16Ge7,-7.57510736,-0.4772655019,0.0,-0.01699815,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Hf,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Ge-Hf, expected Hf6Co80Ge13 to be Hf6Co16Ge7" +mp-977049,Hf4Co4Ge7,-7.265998605,-0.557783786,0.0,-0.0123085681,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Hf,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Hf +mp-1105833,Hf4Co7Ge6,-7.4937530165,-0.5922737332,0.0,-0.0582734553,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Co-Ge-Hf,17.0,A7B6C4_cI34_229_ad_e_c:Co-Ge-Hf +mp-1103545,Hf(CoGe)6,-6.4962030554,-0.3157982146,0.0204674086,0.0204674086,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Hf,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Hf +mp-1207572,YbAlRh,-5.0188586617,-0.8023613350000001,0.0,-0.0763800717,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Rh-Yb,,ABC_oP12_62_c_c_c:Al-Rh-Yb +mp-867320,Ho2ZnRu,-5.31031842,-0.3855774475,0.0,-0.0097893758,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Ru-Zn +mp-1093958,Al2CoTc,-3.558620105,2.681406995,3.1868296482,3.1868296482,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Co-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Co-Tc +mp-1187609,YbDyZn2,-2.5053981675,-0.3389275825,0.0,-0.0023300775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Yb-Zn,,ABC2_cF16_225_a_b_c:Dy-Yb-Zn +mp-1208993,SmZnCo2,-5.2155065008,-0.1667651671,0.031160454,0.031160454,GGA,P6_3/mmc,A2BC_hP24_194_k_cf_abd:Co-Sm-Zn,24.0,A2BC_hP24_194_k_cf_abd:Co-Sm-Zn +mp-1017082,Mg6GaBi,-2.1064109387,-0.0476277572,0.0830591446,0.0830591446,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Ga-Mg, expected Mg12GaBi to be Mg6GaBi" +mp-1017095,Mg6GaBi,-2.1061418956,-0.0473587141,0.0833281877,0.0833281877,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Ga-Mg, expected Mg12GaBi to be Mg6GaBi" +mp-1026407,Mg14GaBi,-1.8471944094,-0.0176627936,0.0610209583,0.0610209583,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Ga-Mg, expected Mg18GaBi to be Mg14GaBi" +mp-1026423,Mg14GaBi,-1.8623370069,-0.0328053911,0.0458783608,0.0458783608,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Ga-Mg, expected Mg26GaBi to be Mg14GaBi" +mp-864598,LiMg2Ag,-2.2012297475,-0.215720005,0.0,-0.0536490778,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Li-Mg +mp-1096094,LiMgAg2,-1.3424934675,0.9510852633,1.1910841325,1.18732204,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Li-Mg,4.0,A2BC_oI8_71_e_a_b:Ag-Li-Mg +mp-1185364,LiMgAg2,-2.5335776,-0.2399988692,0.0,-0.0037620925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Mg +mp-1096346,Li2MgAg,-1.1308301375,0.9318403092,1.118211205,1.118211205,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Li-Mg,4.0,AB2C_oI8_71_a_e_b:Ag-Li-Mg +mp-1222653,Li2MgAg,-2.246884715,-0.1842142683,0.0021566275,0.0021566275,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ag-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Ag-Li-Mg +mp-1096022,LiTiAu2,-2.7922447825,1.2957999383,1.7809979625,1.7809979625,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Li-Ti,4.0,A2BC_oI8_71_e_a_b:Au-Li-Ti +mp-1206224,Ho2(SiPt)3,-5.054040435,0.4027310387,1.5245290234,1.5245290234,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Ho-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Ho-Pt-Si +mp-16377,Ho(SiPt)2,-6.591083662,-1.076021348,0.0,-0.105772408,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ho-Pt-Si,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_a2c_2b2c:Ho-Pt-Si, expected HoSi4Pt3 to be Ho(SiPt)2" +mp-571665,Ho(SiPt)2,-6.534352042,-1.019289728,0.05673162,-0.049040788,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Pt-Si +mp-1102935,HoSiPt,-6.5577124525,-1.1980923792,0.0,-0.136373705,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Pt-Si,12.0,ABC_oP12_62_c_c_c:Ho-Pt-Si +mp-1201436,Ho3Si11Pt23,-6.6196567407,-0.8612299488,0.0,-0.0043970391,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Ho-Pt-Si,74.0,A3B23C11_cF296_225_d_e2fk_e2f:Ho-Pt-Si +mp-1190095,HoSiPt2,-6.7068698938,-1.1693715088,0.0,-0.0746910681,GGA,Pnma,AB2C_oP16_62_c_d_c:Ho-Pt-Si,16.0,AB2C_oP16_62_c_d_c:Ho-Pt-Si +mp-865730,TiZnAu2,-4.27640385,-0.3506539433,0.0,-0.0078320211,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Ti-Zn +mp-631371,TlCuIr,-4.5732969533,0.5267977122,0.5267977122,0.5267977122,GGA,F-43m,ABC_cF12_216_a_c_b:Cu-Ir-Tl,3.0,ABC_cF12_216_a_c_b:Cu-Ir-Tl +mp-644533,Yb2Ga10Ru3,-4.5445365667,-0.465644273,0.0274932923,0.0274932923,GGA,P4/mbm,A10B3C2_tP30_127_fl_ah_g:Ga-Ru-Yb,,A10B3C2_tP30_127_fl_ah_g:Ga-Ru-Yb +mp-867804,ScPaRu2,-9.12935683,-0.5303721187,0.0,-0.2378272675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Pa-Ru-Sc +mp-567999,Np(CrGe)2,-8.114646712,0.1853393543,0.3188170426,0.3188170426,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Ge-Np,5.0,A2B2C_tI10_139_d_e_a:Cr-Ge-Np +mp-1206708,CeCd2Cu,-3.09549097,-0.1259721338,0.076291192,0.076291192,GGA,F-43m,A2BC_cF16_216_ac_b_d:Cd-Ce-Cu,4.0,A2BC_cF16_216_ac_b_d:Cd-Ce-Cu +mp-1206698,CeCdCu,-3.7821625467,-0.1304340183,0.0846681817,0.0846681817,GGA,P-6m2,ABC_hP3_187_a_d_e:Cd-Ce-Cu,3.0,ABC_hP3_187_a_d_e:Cd-Ce-Cu +mp-1079017,CeCdCu,-3.8198810456,-0.1681525172,0.0469496828,0.0469496828,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Ce-Cu,9.0,ABC_hP9_189_f_g_bc:Cd-Ce-Cu +mp-1078672,Ce2CdCu2,-4.350220369,-0.152724087,0.0288140395,0.0288140395,GGA,C2/m,AB2C2_mC20_12_g_2i_j:Cd-Ce-Cu,10.0,AB2C2_mC20_12_g_2i_j:Cd-Ce-Cu +mp-867913,LiHo2Ir,-5.5786077625,-0.6005640658,0.0,-0.027880796,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Li +mp-1097159,Zr2TcPt,-5.55625057,2.8255428113,3.4850928628,3.4850928628,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Pt-Tc-Zr +mp-631425,FeTc2Cl,-7.12302105,0.63693789,1.0591102025,1.0591102025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cl-Fe-Tc,4.0,ABC2_cF16_225_a_b_c:Cl-Fe-Tc +mp-1226594,CePuFe4,-9.1000115283,-0.0865094742,0.0,-0.0456937508,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Fe-Pu,6.0,AB4C_cF24_216_a_e_c:Ce-Fe-Pu +mp-862926,LiPmAu2,-3.9779544425,-0.6761471452000001,0.0,-0.1718733158,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Li-Pm +mp-1185914,MgPaPt2,-6.691761145,-0.8774583075,0.0,-0.0992008206,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pa-Pt,4.0,ABC2_cF16_225_a_b_c:Mg-Pa-Pt +mp-1209333,Pr3Bi4Pt3,-5.653256465,-0.8614490905000001,0.0,-0.079866392,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Pr-Pt,20.0,A4B3C3_cI40_220_c_a_b:Bi-Pr-Pt +mp-1205789,LaCuPd,-5.2765270433,-0.5381618483,0.027845006,0.027845006,GGA,P-62m,ABC_hP9_189_f_g_bc:Cu-La-Pd,9.0,ABC_hP9_189_f_g_bc:Cu-La-Pd +mp-865755,YbCeHg2,-2.5002244925,-0.4802099512,0.0,-0.018667275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Yb,,AB2C_cF16_225_a_c_b:Ce-Hg-Yb +mp-977550,ZrScOs2,-9.8144721925,-0.4807460438,0.0,-0.0272828336,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Sc-Zr,4.0,A2BC_cF16_225_c_a_b:Os-Sc-Zr +mp-975883,PrNdHg2,-3.0069137475,-0.4678102681,0.0071093025,0.0071093025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Nd-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-Nd-Pr +mp-866014,CaSmHg2,-2.3756754425,-0.5427887562,0.0,-0.1116001481,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Sm +mp-567210,TbInAu2,-4.1902342575,-0.7067808,0.0,-0.0340818625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Tb,4.0,A2BC_cF16_225_c_a_b:Au-In-Tb +mp-22718,TbInAu,-4.29803859,-0.7447279800000001,0.0,-0.0424730094,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Tb,9.0,ABC_hP9_189_ad_g_f:Au-In-Tb +mp-1079501,Tb2InAu2,-4.526894859,-0.8132588730000001,0.0,-0.016462692,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Tb,10.0,A2BC2_tP10_127_g_a_h:Au-In-Tb +mp-1215432,YbTmSe2,-5.36482349,-2.1130068253,0.0,-0.00780852,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Tm-Yb,,A2BC_hR12_166_c_a_b:Se-Tm-Yb +mp-1215853,Yb(TmSe2)2,-5.6884870986,-2.1920692361,0.0074609039,0.0074609039,GGA,P2/m,A4B2C_mP7_10_mn_bd_c:Se-Tm-Yb,,"Invalid WP multiplicities - A4B2C_mP7_10_2m2n_ce_b:Se-Tm-Yb, expected Yb(TmSe4)2 to be Yb(TmSe2)2" +mp-1193091,Yb(TmSe2)2,-5.6909731932,-2.1945553307,0.0049748093,0.0049748093,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:Se-Tm-Yb,,A4B2C_oP28_62_4c_2c_c:Se-Tm-Yb +mp-1096434,Mg2TlIn,-0.8336220750000001,1.2450996692,1.3011591132,1.3011591132,GGA,Immm,AB2C_oI8_71_a_e_b:In-Mg-Tl,4.0,AB2C_oI8_71_a_e_b:In-Mg-Tl +mp-866013,DyTmMg2,-3.137455175,-0.0666595842,0.0023931275,0.0023931275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Tm +mp-675964,Li5GeAs3,-3.644153805,-0.5169318713000001,0.0213276604,0.0213276604,GGA,Cc,A3BC5_mC36_9_3a_a_5a:As-Ge-Li,18.0,"Invalid WP multiplicities - A3BC5_mC36_15_2c2f_e_2e6f:As-Ge-Li, expected Li14GeAs6 to be Li5GeAs3" +mp-1101643,Li5GeAs3,-3.6436207761,-0.5163988424,0.0218606893,0.0218606893,GGA,C2/c,A3BC5_mC36_15_af_e_e2f:As-Ge-Li,18.0,"Invalid WP multiplicities - A3BC5_mC36_15_2c2f_e_2e6f:As-Ge-Li, expected Li14GeAs6 to be Li5GeAs3" +mp-1095813,Ca2GaHg,-0.780187135,1.0555569019,1.56959197,1.56959197,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ga-Hg,4.0,A2BC_oI8_71_e_a_b:Ca-Ga-Hg +mp-1183450,Ca2GaHg,-2.332417765,-0.4966737281,0.01736134,0.01736134,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ga-Hg,4.0,A2BC_cF16_225_c_a_b:Ca-Ga-Hg +mp-1184495,GdMgHg2,-4.530008335,-0.45906758,0.0,-0.092754632,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Mg +mp-1096748,HfAlTc2,-5.29844265,3.3075680375,3.7539988028,3.7539988028,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Hf-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Hf-Tc +mp-867826,DyMgHg2,-2.161146495,-0.45753959,0.0,-0.1059435665,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Mg +mp-1186420,PaFe3,-8.736502405,-0.0053203325,0.0049287175,-0.0053203325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Pa,8.0,A3B_hP8_194_h_c:Fe-Pa +mp-973908,PaFe3,-8.7414311225,-0.01024905,0.0,-0.01024905,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Pa,4.0,A3B_cP4_221_c_a:Fe-Pa +mp-1186389,PaAlFe2,-7.770470765,-0.2204000375,0.0,-0.0392316962,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Pa,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Pa +mp-865768,Ti2MnOs,-9.549366585,-0.5042748961,0.0,-0.0334885569,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Os-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Os-Ti +mp-1097561,AlZnPd2,-2.64579392,1.195476845,1.940627935,1.940627935,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Pd-Zn +mp-1215020,Al2(Zn13Pd3)3,-2.3665583632,-0.3017565884,0.0,-0.0135206115,GGA,F-43m,A2B9C39_cF400_216_e_3ef_3ef2g4h:Al-Pd-Zn,100.0,A2B9C39_cF400_216_e_3ef_3ef2g4h:Al-Pd-Zn +mp-1196218,ZrReSi2,-8.5737060635,-0.6129900948,0.032179007,0.032179007,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Re-Si-Zr,48.0,AB2C_oP48_55_ei_2g2hi_gi:Re-Si-Zr +mp-1079238,ZrReSi,-9.5521935789,-0.7463449639,0.0,-0.1394361055,GGA,P-62m,ABC_hP9_189_f_bc_g:Re-Si-Zr,9.0,ABC_hP9_189_f_bc_g:Re-Si-Zr +mp-1095930,AlSiTc2,-4.5108705350000005,2.9621724025,3.4344120128,3.4344120128,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Si-Tc +mp-631674,LaRe2Ag,-7.460907435,0.7034969346000001,0.8305751275000001,0.8305751275000001,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-La-Re,4.0,ABC2_cF16_216_a_c_bd:Ag-La-Re +mp-1093942,Ta2CuOs,-5.5443092400000005,4.2162231,4.4412006629,4.4412006629,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Os-Ta,4.0,ABC2_oI8_71_a_b_e:Cu-Os-Ta +mp-1186556,PmDyTl2,-3.88278788,-0.362134016,0.0,-0.0681526219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Pm-Tl +mp-1184130,Er2TcAg,-5.7462056875,-0.1640475454,0.0941347128,0.0941347128,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Tc,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Tc +mp-1095805,Zr2RePt,-5.78586222,3.1169032213,3.8188587468,3.8188587468,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Re-Zr,4.0,ABC2_oI8_71_a_b_e:Pt-Re-Zr +mp-1097417,Sc2InRu,-4.09446946,2.07828666,2.56625794,2.56625794,GGA,Immm,ABC2_oI8_71_a_b_e:In-Ru-Sc,4.0,ABC2_oI8_71_a_b_e:In-Ru-Sc +mp-1097390,Hf2CoRu,-5.9276621825,3.1466124163,3.7616369612,3.7616369612,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Hf-Ru,4.0,AB2C_oI8_71_a_e_b:Co-Hf-Ru +mp-865915,Li2AcPb,-3.219206475,-0.3062895223,0.0,-0.0116344858,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Ac-Li-Pb +mp-1185294,LiAc2Pb,-3.7317319675,-0.2657519796,0.0,-0.1126072184,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Li-Pb,4.0,A2BC_cF16_225_c_a_b:Ac-Li-Pb +mp-867151,ScPaOs2,-9.9176441125,-0.3421769563,0.0,-0.0571148631,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Pa-Sc,4.0,A2BC_cF16_225_c_a_b:Os-Pa-Sc +mp-1096415,HfScTc2,-5.8424638075,3.4102701988,3.7667412003,3.7667412003,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Sc-Tc,4.0,ABC2_oI8_71_a_b_e:Hf-Sc-Tc +mp-1184559,HfScTc2,-9.5304655975,-0.2777315912,0.0787394103,0.0787394103,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Sc-Tc +mp-1212634,ErTeAs,-5.4098295683,-1.2864485322,0.0,-0.0390320294,GGA,Pnma,ABC_oP12_62_c_c_c:As-Er-Te,12.0,ABC_oP12_62_c_c_c:As-Er-Te +mp-1184345,ErLuRh2,-6.93135801,-0.9770367425,0.0110474675,0.0110474675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Lu-Rh +mp-1222611,Li2TlAg,-2.46683438,-0.2135731592,0.012106175,0.012106175,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ag-Li-Tl,4.0,AB2C_cF16_216_a_bc_d:Ag-Li-Tl +mp-865666,Li2TlAg,-2.4776466175,-0.2243853967,0.0012939375,0.0012939375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Li-Tl +mp-1096099,LiTlAg2,-1.563052135,0.92111737,1.0580245319,1.0580245319,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Li-Tl,4.0,A2BC_oI8_71_e_a_b:Ag-Li-Tl +mp-1186623,PmGdHg2,-5.3535847025,-0.4950783794,0.0,-0.1081514881,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Pm +mp-867119,LiHfPd2,-6.18586788,-0.6293990008,0.0,-0.00207869,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Hf-Li-Pd +mp-865247,GaFeIr2,-7.521728125,-0.2279817269,0.0,-0.0008781172,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ga-Ir,4.0,ABC2_cF16_225_a_b_c:Fe-Ga-Ir +mp-1097485,CaLaAu2,-2.3339214125,1.0384213338,1.86436989,1.8559275563,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-La,4.0,A2BC_oI8_71_e_a_b:Au-Ca-La +mp-1183579,CaLaAu2,-4.1982913025,-0.8259485563000001,0.0,-0.0084423337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-La,4.0,A2BC_cF16_225_c_a_b:Au-Ca-La +mp-622041,ThInAu2,-4.8222157150000005,-0.64388922,0.0,-0.0835631475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Th,4.0,A2BC_cF16_225_c_a_b:Au-In-Th +mp-864835,Hf2CoIr,-9.646401525,-0.6811190162,0.0,-0.0065607763,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Hf-Ir,4.0,AB2C_cF16_225_a_c_b:Co-Hf-Ir +mp-22339,ThCoSn,-6.7102694178,-0.5330201178,0.0,-0.1322486937,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Sn-Th,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Co-Sn-Th, expected Th3Co5Sn3 to be ThCoSn" +mp-1080018,Th(CoSn)2,-6.263901052,-0.333973542,0.029210184,0.029210184,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Co-Sn-Th,10.0,A2B2C_tP10_129_ac_bc_c:Co-Sn-Th +mp-1208367,Th3Co4Sn13,-5.4512393837,-0.3112753815,0.0014491431,0.0014491431,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Sn-Th,40.0,A4B13C3_cP40_223_e_ak_c:Co-Sn-Th +mp-866174,ThSnAu2,-5.135305125,-0.6425065988,0.0,-0.0592135816,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sn-Th,4.0,A2BC_cF16_225_c_a_b:Au-Sn-Th +mp-1185246,LiYb2Cd,-1.6603341225,-0.1825768258,0.0154398017,0.0154398017,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Li-Yb,,ABC2_cF16_225_a_b_c:Cd-Li-Yb +mp-1185242,LiTm2Ga,-3.7803541125,-0.3081816785,0.0317835468,0.0317835468,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Tm,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Tm +mp-975848,PrNdMg2,-3.293098295,-0.1056949731,0.00518428,0.00518428,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Pr,4.0,A2BC_cF16_225_c_a_b:Mg-Nd-Pr +mp-1184288,Eu2ZnCd,-5.9779403375,-0.303781095,0.0092542025,0.0092542025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Eu-Zn,4.0,AB2C_cF16_225_a_c_b:Cd-Eu-Zn +mp-1080579,NdCd2Pd,-3.4984931688,-0.5500409781,0.0,-0.0309306129,GGA,Cmcm,A2BC_oC16_63_f_c_c:Cd-Nd-Pd,8.0,A2BC_oC16_63_f_c_c:Cd-Nd-Pd +mp-1209976,Nd4CdPd,-4.5924606617,-0.3965671117,0.0,-0.0163680461,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Nd-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Nd-Pd +mp-1206604,NdCdPd,-4.2920287567,-0.6683890892000001,0.0,-0.0123661839,GGA,P-62m,ABC_hP9_189_f_g_bc:Cd-Nd-Pd,9.0,ABC_hP9_189_f_g_bc:Cd-Nd-Pd +mp-1205689,Nd2CdPd2,-4.904598096,-0.740808447,0.0,-0.013529434,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Nd-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Nd-Pd +mp-977557,NdCdPd2,-4.6544354175,-0.6417352144,0.0287733044,0.0287733044,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Nd-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Nd-Pd +mp-1220738,Nb2GaNi3,-7.0654396067,-0.3035869162,0.0209762912,0.0209762912,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Ga-Nb-Ni,12.0,AB2C3_hP12_194_a_f_h:Ga-Nb-Ni +mp-3539,NbGaNi2,-6.506100145,-0.3336815394,0.0119097271,0.0119097271,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Nb-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Nb-Ni +mp-1220743,Nb(GaNi4)3,-5.84172054,-0.3075184608,0.0,-0.0161839147,GGA,P4/mmm,A3BC12_tP16_123_ag_b_cdh2i:Ga-Nb-Ni,16.0,"Invalid WP multiplicities - A3BC12_tP16_123_a2g_b_cd2h5i:Ga-Nb-Ni, expected NbGa5Ni26 to be Nb(GaNi4)3" +mp-1210971,Lu6Nb4Al43,-4.6264062974,-0.3133745243,0.0,-0.0020769896,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Nb,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-Nb +mp-1080740,PrMgPd,-4.4977659711,-0.6440767661,0.0,-0.0510676245,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pd-Pr,9.0,ABC_hP9_189_f_bc_g:Mg-Pd-Pr +mp-1205716,Pr2MgPd2,-4.999192246,-0.69482121,0.0085231257,0.0085231257,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Pd-Pr,10.0,AB2C2_tP10_127_a_g_h:Mg-Pd-Pr +mp-861928,EuMgHg2,-3.55271042,-0.436549775,0.0,-0.0426701815,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Mg +mp-1232140,HoMgSe3,-4.727275368,-1.3931906974,0.3287015215,0.3287015215,GGA,C2/m,ABC3_mC20_12_i_g_ij:Ho-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:Ho-Mg-Se +mp-1232172,HoMgSe3,-4.8432414173,-1.5091567467,0.2127354722,0.2127354722,GGA,R-3,ABC3_hR30_148_c_c_f:Ho-Mg-Se,30.0,ABC3_hR30_148_c_c_f:Ho-Mg-Se +mp-1232180,Ho2MgSe4,-5.308846025,-1.7733112106000002,0.19654213,0.19654213,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Ho-Mg-Se,28.0,A2BC4_aP28_2_4i_2i_8i:Ho-Mg-Se +mp-1232179,Ho2MgSe4,-5.46712125,-1.9315864356,0.038266905,0.038266905,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Ho-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Ho-Mg-Se +mp-1232177,Ho2MgSe4,-5.4754294989,-1.9398946846,0.0299586561,0.0299586561,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ho-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Ho-Mg-Se +mp-1232182,Ho2MgSe4,-5.4361015696,-1.9005667553,0.0692865854,0.0692865854,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ho-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Ho-Mg-Se +mp-1232296,Ho2MgSe4,-5.2587510657,-1.7232162513,0.2466370893,0.2466370893,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Ho-Mg-Se,28.0,A2BC4_oP28_62_2c_c_2cd:Ho-Mg-Se +mp-1232173,Ho2MgSe4,-5.40458816,-1.8690533456,0.100799995,0.100799995,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ho-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Ho-Mg-Se +mp-1103791,Ho2MgSe4,-5.4966710564,-1.9611362421,0.0087170986,0.0087170986,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ho-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:Ho-Mg-Se +mp-1215208,ZrTi3As2,-7.818862545,-0.8934602967,0.00196042,0.00196042,GGA,I4mm,A2B3C_tI12_107_2a_ab_a:As-Ti-Zr,6.0,A2B3C_tI12_107_2a_ab_a:As-Ti-Zr +mp-30147,ZrTiAs,-8.0176377217,-0.9835340378,0.0,-0.0769113309,GGA,I4/mmm,ABC_tI12_139_e_c_e:As-Ti-Zr,6.0,ABC_tI12_139_e_c_e:As-Ti-Zr +mp-863675,LiPm2Ru,-5.34505995,-0.1739574371,0.0,-0.1739574371,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Li-Pm-Ru +mp-1093591,HfNbRu2,-6.2169289425,3.434895845,3.9385096975,3.9385096975,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Nb-Ru,4.0,ABC2_oI8_71_a_b_e:Hf-Nb-Ru +mp-1184582,HfNbRu2,-10.133502795,-0.4816780075,0.021935845,0.021935845,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Hf-Nb-Ru +mp-1184303,ErLuPd2,-5.8119729975,-0.94986476,0.00286123,0.00286123,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Er-Lu-Pd +mp-1186692,PmSmIn2,-4.231632485,-0.4885085056,0.0,-0.0931547587,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:In-Pm-Sm +mp-1187934,Yb2RhAu,-4.1891954925,-0.759843885,0.0214612325,0.0214612325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Rh-Yb,,ABC2_cF16_225_a_b_c:Au-Rh-Yb +mp-1097239,Be2NiRu,-2.7656938525,2.867647385,3.2263208413,3.2263208413,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Ni-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Ni-Ru +mp-1183421,Be2NiRu,-5.987490845,-0.3541496075,0.0045238488,0.0045238488,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Be-Ni-Ru +mp-865241,TmNbOs2,-9.49652328,-0.2385544492,0.0826438349,0.0826438349,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Os-Tm,4.0,AB2C_cF16_225_a_c_b:Nb-Os-Tm +mp-1227313,BiPd6Pb,-5.1053947537,-0.2763413712,0.0105740447,0.0105740447,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Bi-Pb-Pd,8.0,ABC6_tP8_123_a_b_cdi:Bi-Pb-Pd +mp-1227450,Bi3Pd12Pb,-5.1016877669,-0.2646442556,0.0157625745,0.0157625745,GGA,Pmm2,A3BC12_oP16_25_af_c_bdeghi:Bi-Pb-Pd,16.0,"Invalid WP multiplicities - A3BC12_oP16_25_af_c_bdeg2hi:Bi-Pb-Pd, expected Bi3Pd14Pb to be Bi3Pd12Pb" +mp-30461,BiPd2Pb,-4.7840987425,-0.3058737875,0.0024760381,-0.0024530573,GGA,Cm,ABC2_mC16_8_b_2a_2ab:Bi-Pb-Pd,8.0,ABC2_mC16_8_b_2a_2ab:Bi-Pb-Pd +mp-568476,BiPd2Pb,-4.7865747806000005,-0.3083498256,0.0,-0.0049290955,GGA,Cmc2_1,ABC2_oC32_36_b_2a_2ab:Bi-Pb-Pd,16.0,"Invalid WP multiplicities - ABC2_oC32_36_b_3a_3a4b:Bi-Pb-Pd, expected Bi2Pd11Pb3 to be BiPd2Pb" +mp-1185609,LiGd2Rh,-7.271872345,2.0844964592,2.4856731942,2.4856731942,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Gd-Li-Rh +mp-862376,Sc2CuTc,-7.034248265,-0.2530523088,0.0017331678,0.0017331678,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Cu-Sc-Tc +mp-866089,GdSnRh2,-7.6385409675,0.5650364913,1.1991396384,1.1991396384,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Gd-Rh-Sn +mp-1222603,LuThFe6,-7.9577339096,-0.1133669058,0.0,-0.0106790611,GGA,R3m,A6BC_hR72_160_6a4b_3a_3a:Fe-Lu-Th,,"Invalid WP multiplicities - A6BC_hR72_160_6a12b_3a_3a:Fe-Lu-Th, expected LuThFe14 to be LuThFe6" +mp-1204900,Sc4FeBr5,-5.7475536366,-1.5910497086,0.0,-0.1288422481,GGA,P4_2/nnm,A5BC4_tP80_134_k2mn_m_2mn:Br-Fe-Sc,80.0,A5BC4_tP80_134_k2mn_m_2mn:Br-Fe-Sc +mp-1185466,LiThPt2,-6.281914395,-0.9156524558,0.0565441234,0.0565441234,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Th,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Th +mp-19945,Gd2MgGe2,-8.569010218,-0.76929417,0.0,-0.083600708,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Gd-Ge-Mg,10.0,A2B2C_tP10_127_h_g_a:Gd-Ge-Mg +mp-1093844,CrGaRh2,-4.4734533,2.3789865081,2.7647654875,2.7551463792,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ga-Rh,4.0,ABC2_oI8_71_a_b_e:Cr-Ga-Rh +mp-1183690,CrGaRh2,-7.2382187875,-0.3857789794,0.0,-0.0096191083,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Cr-Ga-Rh +mp-1224373,GeTePt,-5.2030451392,-0.5905561164,0.0,-0.0746158287,GGA,P2_13,ABC_cP12_198_a_a_a:Ge-Pt-Te,12.0,ABC_cP12_198_a_a_a:Ge-Pt-Te +mp-1223864,InFeNi,-5.4710183333,0.1962622067,0.3127649933,0.3127649933,GGA,P-6m2,ABC_hP3_187_a_d_e:Fe-In-Ni,3.0,ABC_hP3_187_a_d_e:Fe-In-Ni +mp-1206342,InFeNi,-5.5507934083,0.1164871317,0.2329899183,0.2329899183,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Fe-In-Ni,6.0,ABC_hP6_194_a_c_d:Fe-In-Ni +mp-1206345,InFeNi,-5.3764239267,0.2908566133,0.4073594,0.4073594,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-In-Ni,6.0,ABC_hP6_194_c_d_a:Fe-In-Ni +mp-1205898,Sc6Te2Ru,-6.6766971822,-0.7260495204,0.0747893815,0.0747893815,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Ru-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Ru-Sc-Te +mp-1101789,CaGa3Co2,-4.5967297517,-0.3789758288,0.0,-0.0246543942,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Ca-Co-Ga,12.0,AB2C3_oC24_63_c_e_cg:Ca-Co-Ga +mp-975608,Li2TlPt,-3.4606396875,-0.3977341375,0.0207822375,0.0207822375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pt-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Pt-Tl +mp-864669,NbGeRu2,-8.58621886,-0.2679343663,0.0,-0.0023638139,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Ge-Nb-Ru +mp-1215392,Zr5Sc5Ga6,-6.2967512969,-0.5111622462000001,0.0186597618,0.0186597618,GGA,Amm2,A6B5C5_oC32_38_abde_af_bde:Ga-Sc-Zr,16.0,A6B5C5_oC32_38_abde_af_bde:Ga-Sc-Zr +mp-569779,ScSbPd,-6.2561063967,-1.042322345,0.0,-0.152098175,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sb-Sc,3.0,ABC_cF12_216_c_a_b:Pd-Sb-Sc +mp-1222612,Li2SnIr,-4.57990008,-0.4134371379,0.0,-0.072759035,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ir-Li-Sn,4.0,AB2C_cF16_216_a_bc_d:Ir-Li-Sn +mp-1001914,Li2SnIr,-4.4002062225,-0.2337432804,0.1796938575,0.1069348225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Ir-Li-Sn +mp-864768,LiSnIr2,-6.18327799,-0.2844372196,0.0029931911,0.0029931911,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Sn,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Sn +mp-1096624,LiSn2Ir,-2.9036926675,1.7879325217000002,2.1351488575,2.1351488575,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Li-Sn,4.0,ABC2_oI8_71_a_b_e:Ir-Li-Sn +mp-21894,LiSn4Ir,-4.7699950633,-0.3057209856,0.0,-0.0366532202,GGA,I4/mcm,ABC4_tI24_140_a_c_l:Ir-Li-Sn,12.0,ABC4_tI24_140_a_c_l:Ir-Li-Sn +mp-1211564,Li(ErGe)4,-5.120453535,-0.8235746987,0.0,-0.018189788,GGA,Pnma,A4B4C_oP36_62_2d_2cd_c:Er-Ge-Li,36.0,A4B4C_oP36_62_2d_2cd_c:Er-Ge-Li +mp-13474,LiErGe,-4.4106490911,-0.7107592472,0.0,-0.0823848454,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Ge-Li,9.0,ABC_hP9_189_f_ad_g:Er-Ge-Li +mp-1186680,PmZnCu2,-3.7096864975,-0.1575116794,0.0332458983,0.0332458983,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Zn,4.0,A2BC_cF16_225_c_a_b:Cu-Pm-Zn +mp-1223826,Ho4HfAl15,-4.629187211,-0.405664113,0.012447933,0.012447933,GGA,P4/mmm,A15BC4_tP20_123_ae2g2i_c_2h:Al-Hf-Ho,20.0,"Invalid WP multiplicities - A15BC4_tP20_123_a2e3g7i_c_3h:Al-Hf-Ho, expected Ho6HfAl39 to be Ho4HfAl15" +mp-22505,GdAl3Pd2,-6.79495001,-0.8495144517000001,0.0,-0.0452090696,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Gd-Pd,6.0,A3BC2_hP6_191_g_a_c:Al-Gd-Pd +mp-20058,GdAlPd,-8.5253710667,-0.8581777733,0.0,-0.0593974567,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Gd-Pd,9.0,ABC_hP9_189_f_g_bc:Al-Gd-Pd +mp-864951,MnAlOs2,-9.10187608,-0.2612945845,0.0,-0.034509566,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Os,8.0,ABC2_cF16_225_a_b_c:Al-Mn-Os +mp-1220064,Pr9Al5Se21,-5.6789745837000005,-1.8169696701,0.0,-0.0214819964,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Pr-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Pr-Se, expected Pr24Al5Se51 to be Pr9Al5Se21" +mp-1183182,AcMgZn2,-2.303615485,-0.2433799156,0.0,-0.0581332192,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-Mg-Zn +mp-1106351,Nd(As3Os)4,-6.54596699,-0.334964754,0.0,-0.0035980879,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Nd-Os,17.0,A12BC4_cI34_204_g_a_c:As-Nd-Os +mp-1100419,HfTeRu,-7.2492210667,0.2090780878,1.0542675412,1.0542675412,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Ru-Te,3.0,ABC_cF12_216_a_b_c:Hf-Ru-Te +mp-1106066,La(Sb3Os)4,-6.0462767988,-0.1996008162,0.0,-0.0110126291,GGA,Im-3,AB4C12_cI34_204_a_c_g:La-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:La-Os-Sb +mp-1186649,PmSnPt2,-6.0380924775,-0.8124972731000001,0.0,-0.4159602092,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Pt-Sn,4.0,AB2C_cF16_225_a_c_b:Pm-Pt-Sn +mp-865354,Tm2IrPd,-6.7320876975,-0.9895909883,0.0,-0.03588034,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Tm +mp-1220426,NbNi6Mo,-7.1496083175,-0.1961364137,0.0,-0.0033092306,GGA,Pmm2,ABC6_oP8_25_a_d_bcef:Mo-Nb-Ni,8.0,ABC6_oP8_25_a_d_bcef:Mo-Nb-Ni +mp-1222431,Lu(CrFe5)2,-8.3586350592,-0.0103844777,0.0300122504,0.0300122504,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Lu,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Lu +mp-1187357,TbLuRh2,-6.8950112725,-0.9240281825,0.0169759725,0.0169759725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Tb +mp-1206770,NpGa5Rh,-5.4009408329,-0.3362883095,0.0105712126,0.0105712126,GGA,P4/mmm,A5BC_tP7_123_ci_a_b:Ga-Np-Rh,7.0,A5BC_tP7_123_ci_a_b:Ga-Np-Rh +mp-864608,NpGaRh2,-7.9676312225,-0.2915083616,0.1617553752,0.1617553752,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Np-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Np-Rh +mp-865046,LiPaPt2,-6.6873254,-0.7958618583,0.0,-0.0799253731,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pa-Pt,4.0,ABC2_cF16_225_a_b_c:Li-Pa-Pt +mp-1217865,Ta19(Ni9Mo)2,-9.2615941567,-0.2607855559,0.0101756059,0.0101756059,GGA,P-3m1,A2B18C19_hP39_164_d_3i_a3c6d:Mo-Ni-Ta,39.0,"Invalid WP multiplicities - A2B18C19_hP39_164_d_17i_a5c10d:Mo-Ni-Ta, expected Ta31(Ni51Mo)2 to be Ta19(Ni9Mo)2" +mp-1217923,TaNi6Mo,-7.40291157,-0.2298805925,0.0,-0.0029745112,GGA,Pmm2,AB6C_oP8_25_a_bcef_d:Mo-Ni-Ta,8.0,AB6C_oP8_25_a_bcef_d:Mo-Ni-Ta +mp-7778,Li2PrAs2,-4.45784374,-0.8744460803,0.1040254751,0.1040254751,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Li-Pr,5.0,A2B2C_hP5_164_d_d_a:As-Li-Pr +mp-1183861,CeEuCd2,-4.732875515,-0.2239078963,0.0482335256,0.0482335256,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ce-Eu,4.0,A2BC_cF16_225_c_a_b:Cd-Ce-Eu +mp-865081,NaAcTe2,-4.401792895,-1.4692148731,0.0,-0.4668289266,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Na-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Na-Te +mp-1076916,GdBiPd,-8.6534833267,-0.9546522667,0.0,-0.1426338293,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Gd-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Gd-Pd +mp-1186485,Pm2NiGe,-5.4327794,-0.456717105,0.0,-0.132686995,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Ni-Pm,4.0,ABC2_cF16_225_a_b_c:Ge-Ni-Pm +mp-17287,TaTe4Ir,-6.1928421783,-0.6479362811,0.0,-0.0354963477,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Ir-Ta-Te,24.0,ABC4_oP24_31_2a_2a_8a:Ir-Ta-Te +mp-28564,Rb4PbBr6,-3.4308966118,-1.8897190355,0.0,-0.0045270786,GGA,R-3c,A6BC4_hR66_167_f_b_ae:Br-Pb-Rb,22.0,A6BC4_hR66_167_f_b_ae:Br-Pb-Rb +mp-998176,RbPbBr3,-3.493827592,-1.6233743655,0.039393365,0.0246430716,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Pb-Rb,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Pb-Rb, expected RbPbBr5 to be RbPbBr3" +mp-998603,RbPbBr3,-3.533220957,-1.6627677305000002,0.0,-0.0147502934,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Br-Pb-Rb,10.0,A3BC_oC20_63_cf_a_c:Br-Pb-Rb +mp-23043,RbPb2Br5,-3.5586087706,-1.5372375378,0.0079882634,0.0079882634,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Br-Pb-Rb,16.0,"Invalid WP multiplicities - A5B2C_tI32_140_c2l_h_a:Br-Pb-Rb, expected RbPb2Br9 to be RbPb2Br5" +mp-21450,Nd2InPd2,-5.336672719,-0.807124276,0.0,-0.0119190803,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Nd-Pd,10.0,AB2C2_tP10_127_a_h_g:In-Nd-Pd +mp-1180141,NdInPd,-4.7629455211,-0.5297078636,0.25189153,0.2076206646,GGA,C2,ABC_mC18_5_ac_bc_ac:In-Nd-Pd,9.0,"Invalid WP multiplicities - ABC_mC18_5_ac_b2c_ac:In-Nd-Pd, expected Nd5(InPd)3 to be NdInPd" +mp-1409171,NdInPd,-4.7629097267,-0.5296720692,0.2519273244,0.207656459,GGA,P321,ABC_hP9_150_e_f_ad:In-Nd-Pd,9.0,"Invalid WP multiplicities - ABC_mC18_5_a2c_bc_ac:In-Nd-Pd, expected Nd3In5Pd3 to be NdInPd" +mp-21887,NdInPd,-5.0148370511,-0.7815993936000001,0.0,-0.0442708654,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Nd-Pd,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:In-Nd-Pd, expected Nd3In3Pd5 to be NdInPd" +mp-642019,NdInPd,-4.7638196544,-0.5305819969000001,0.2510173967,0.2067465312,GGA,P-62m,ABC_hP9_189_f_g_ad:In-Nd-Pd,9.0,ABC_hP9_189_f_g_ad:In-Nd-Pd +mp-1202976,Nd(In2Pd)2,-4.3057054594,-0.5721846062,0.0,-0.0123833192,GGA,Pmc2_1,A4BC2_oP70_26_10a10b_2a3b_6a4b:In-Nd-Pd,70.0,A4BC2_oP70_26_10a10b_2a3b_6a4b:In-Nd-Pd +mp-642332,Nd11In9Pd4,-4.6521980833,-0.571602143,0.0499251204,0.0499251204,GGA,Cmmm,A9B11C4_oC48_65_a2q_b2gip_q:In-Nd-Pd,24.0,"Invalid WP multiplicities - A9B11C4_oC48_65_a8q_b2g4i2p_q:In-Nd-Pd, expected Nd21In33Pd4 to be Nd11In9Pd4" +mp-977590,NdInPd2,-5.19656199,-0.7266632944,0.0103697531,0.0103697531,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Nd-Pd,4.0,ABC2_cF16_225_a_b_c:In-Nd-Pd +mp-864685,Nd2In8Pd,-3.7847237282,-0.4456649541,0.0072540059,0.0072540059,GGA,P4/mmm,A8B2C_tP11_123_ehi_g_a:In-Nd-Pd,11.0,"Invalid WP multiplicities - A8B2C_tP11_123_e2h2i_g_a:In-Nd-Pd, expected Nd2In14Pd to be Nd2In8Pd" +mp-1200754,Nd4In21Pd10,-4.2063796189,-0.5304720143,0.0042127171,0.0042127171,GGA,C2/m,A21B4C10_mC70_12_a10i_2i_5i:In-Nd-Pd,35.0,A21B4C10_mC70_12_a10i_2i_5i:In-Nd-Pd +mp-1210541,NdIn2Pd,-4.512933019,-0.6500838434,0.0,-0.0055222162,GGA,I4mm,A2BC_tI80_107_c2de_2acd_bcd:In-Nd-Pd,40.0,A2BC_tI80_107_c2de_2acd_bcd:In-Nd-Pd +mp-1100438,LiScSn,-4.15489495,-0.0712403411,0.4798464857,0.4798464857,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Sc-Sn,3.0,ABC_cF12_216_a_c_b:Li-Sc-Sn +mp-1216647,Tm4CdSe7,-5.4630540325,-1.8549197161,0.0798776429,0.0798776429,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cd-Se-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Cd-Se-Tm +mp-14620,Tm2CdSe4,-5.1820100729,-1.7736948561,0.0069332696,0.0069332696,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-Se-Tm,14.0,AB4C2_cF56_227_a_e_d:Cd-Se-Tm +mp-1097112,BaNaTl2,-1.042209385,0.9494872467,1.2427204884,1.2427204884,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Na-Tl,4.0,ABC2_oI8_71_a_b_e:Ba-Na-Tl +mp-1183318,BaNaTl2,-2.258143085,-0.2664464533,0.0267867884,0.0267867884,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Ba-Na-Tl +mp-1093929,Ba2NaTl,-0.945085615,0.935693965,1.0928093485,1.0928093485,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Na-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Na-Tl +mp-569159,Yb8Ge3Sb5,-3.8370526928,-0.9101179425,0.0,-0.001470629,GGA,I4/mmm,A3B5C8_tI64_139_di_ehj_hik:Ge-Sb-Yb,,"Invalid WP multiplicities - A3B5C8_tI64_139_di_2e2h4j_4h3i6k:Ge-Sb-Yb, expected Yb38Ge3Sb14 to be Yb8Ge3Sb5" +mp-1226717,CeTh3Al2,-6.1427525983,-0.1984500042,0.0350239052,0.0350239052,GGA,Fmm2,A2BC3_oF24_42_b_a_ac:Al-Ce-Th,6.0,A2BC3_oF24_42_b_a_ac:Al-Ce-Th +mp-1209297,PrZnGe,-4.2438173308,-0.6892582575,0.0,-0.0813975968,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Pr-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Pr-Zn +mp-18209,Pr2(ZnGe2)3,-4.1182269627,-0.3837533745,0.009095553,0.009095553,GGA,Cmcm,A6B2C3_oC44_63_2ch_2c_ce:Ge-Pr-Zn,22.0,"Invalid WP multiplicities - A6B2C3_oC44_63_3c2h_2c_2c3e:Ge-Pr-Zn, expected Pr2Zn8Ge11 to be Pr2(ZnGe2)3" +mp-11666,Pr2(Zn2Ge)3,-3.2405411545,-0.4233269059,0.0,-0.0232445237,GGA,P-62m,A3B2C6_hP11_189_f_d_fg:Ge-Pr-Zn,11.0,"Invalid WP multiplicities - A3B2C6_hP11_189_f_d_2f2g:Ge-Pr-Zn, expected Pr2(Zn4Ge)3 to be Pr2(Zn2Ge)3" +mp-607715,PrZnRh,-5.0985845796,-0.6302655012,0.0,-0.1182061847,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Pr-Rh-Zn,24.0,"Invalid WP multiplicities - ABC_oP24_62_6c_6c_4c:Pr-Rh-Zn, expected Pr3Zn2Rh3 to be PrZnRh" +mp-865156,Dy2ZnGa,-3.8623488875,-0.4869955594,0.0007414338,0.0007414338,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Ga-Zn +mp-1018682,DyZnGa,-3.5336074683,-0.5687319775,0.0,-0.043448056,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Dy-Ga-Zn,6.0,ABC_hP6_194_a_c_d:Dy-Ga-Zn +mp-1095890,CaMgIn2,-1.01620758,1.2611042675,1.5866618863,1.5866618863,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-In-Mg,4.0,AB2C_oI8_71_a_e_b:Ca-In-Mg +mp-867350,Ca2MgIn,-2.397593405,-0.30680252,0.0,-0.0123605196,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Mg,4.0,A2BC_cF16_225_c_a_b:Ca-In-Mg +mp-621348,TiInAu2,-4.5853523825,-0.2866174458,0.0648677275,0.0648677275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Ti,4.0,A2BC_cF16_225_c_a_b:Au-In-Ti +mp-1093679,TiGaCu2,-2.707312185,2.0731881598,2.3097288275,2.3090060175,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Ti,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Ti +mp-1187459,TiGaCu2,-5.0170410125,-0.2365406677,0.0,-0.00072281,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Ti,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Ti +mp-1216970,TiGaCu,-5.2073693067,-0.1997710703,0.1151346133,0.1151346133,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ga-Ti,6.0,ABC_hP6_164_d_d_c:Cu-Ga-Ti +mp-1096293,Ti2GaCu,-3.119263885,2.6103077965,2.9253974627,2.9253974627,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Ti +mp-1216640,TiZnGa2,-4.1773907225,-0.3745338046,0.0,-0.0417045037,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Ga-Ti-Zn,4.0,A2BC_tP4_123_e_a_c:Ga-Ti-Zn +mp-1096390,MgTiPd2,-3.3813761275,1.5825077942,2.2268922813,2.2268922813,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pd-Ti,4.0,AB2C_oI8_71_a_e_b:Mg-Pd-Ti +mp-865857,YbNbRu2,-7.711263585,-0.163833985,0.0,-0.0280115502,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Yb,,AB2C_cF16_225_a_c_b:Nb-Ru-Yb +mp-1224695,GdCu4Pd,-6.2395216883,-0.2973832333,0.0400098,0.0100046917,GGA,R3m,A4BC_hR18_160_ab_a_a:Cu-Gd-Pd,6.0,A4BC_hR18_160_ab_a_a:Cu-Gd-Pd +mp-1025013,GdCu4Pd,-6.2795314883,-0.3373930333,0.0,-0.0300051083,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Gd-Pd,6.0,A4BC_cF24_216_e_a_c:Cu-Gd-Pd +mp-1184088,Er2TlIn,-3.929872025,-0.3674309008,0.0,-0.0028952375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-In-Tl,4.0,A2BC_cF16_225_c_a_b:Er-In-Tl +mp-1093863,Hf2TcNi,-5.74089173,3.2728966912,3.7745554625,3.7745554625,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ni-Tc,4.0,A2BC_oI8_71_e_a_b:Hf-Ni-Tc +mp-1184612,Hf2TcNi,-9.5085906325,-0.4948022113,0.00685656,0.00685656,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ni-Tc,4.0,A2BC_cF16_225_c_a_b:Hf-Ni-Tc +mp-1103213,SbTeOs,-6.3927337883,-0.2261756006,0.0,-0.0105963764,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-Sb-Te,12.0,ABC_mP12_14_e_e_e:Os-Sb-Te +mp-1212803,DyTeAs,-5.4540706033,-1.3176668906,0.0,-0.0554150656,GGA,Pnma,ABC_oP12_62_c_c_c:As-Dy-Te,12.0,ABC_oP12_62_c_c_c:As-Dy-Te +mp-1096519,NbCuRh2,-4.6445385825,2.58774328,2.9422547319000003,2.9422547319000003,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Nb-Rh,4.0,ABC2_oI8_71_a_b_e:Cu-Nb-Rh +mp-865993,YbSmRh2,-5.942334655,-0.6956321162,0.0,-0.0281635075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sm-Yb,,A2BC_cF16_225_c_a_b:Rh-Sm-Yb +mp-1224677,Hf4NiRh,-9.3061931638,-0.4773263854,0.0027484192,0.0027484192,GGA,F-43m,A4BC_cF96_216_efg_e_e:Hf-Ni-Rh,24.0,A4BC_cF96_216_efg_e_e:Hf-Ni-Rh +mp-1095886,Hf2NiRh,-5.4326423775,2.8320632750000003,3.5208345325,3.5208345325,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ni-Rh,4.0,A2BC_oI8_71_e_a_b:Hf-Ni-Rh +mp-18660,Sr(ScTe2)2,-5.4582606786,-1.6114527876,0.0043543693,0.0043543693,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Sc-Sr-Te,28.0,A2BC4_oP28_62_2c_c_4c:Sc-Sr-Te +mp-1095894,HfCdPd2,-3.67819618,1.6317644225,2.2454915028,2.2454915028,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hf-Pd,4.0,ABC2_oI8_71_a_b_e:Cd-Hf-Pd +mp-1097411,GaSnRu2,-3.7950298575,2.6015883819,2.8316864604000003,2.8316864604000003,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ru-Sn,4.0,AB2C_oI8_71_a_e_b:Ga-Ru-Sn +mp-1187510,YbPmCd2,-2.4070798275,-0.3730972969,0.0,-0.0738431679,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Pm-Yb,,A2BC_cF16_225_c_a_b:Cd-Pm-Yb +mp-1095778,SrPbAu2,-2.2096772325,0.7777988983,1.33094311,1.33094311,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pb-Sr,4.0,A2BC_oI8_71_e_a_b:Au-Pb-Sr +mp-20521,ScInPt2,-6.217934675,-0.9113298063,0.0,-0.0160159594,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:In-Pt-Sc +mp-1097391,Sc2InPt,-3.6960537975,1.6758850175000002,2.50601001,2.50601001,GGA,Immm,ABC2_oI8_71_a_b_e:In-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:In-Pt-Sc +mp-31297,ScInPt,-5.9575620733,-0.9058000217,0.0,-0.0766883548,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-Sc,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Pt-Sc, expected Sc3In3Pt5 to be ScInPt" +mp-571434,La(AsPd)2,-5.839078444,-0.916276937,0.0028846852,0.0028846852,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-La-Pd,5.0,A2BC2_tI10_139_e_a_d:As-La-Pd +mp-11212,LaAsPd,-6.1886574167,-1.2636549767,0.0,-0.0952550406,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-La-Pd,6.0,ABC_hP6_194_c_a_d:As-La-Pd +mp-1211237,LaAs2Pd3,-5.8384180633,-0.8727698392000001,0.0,-0.053499991,GGA,C2/m,A2BC3_mC36_12_3i_ai_d4i:As-La-Pd,,A2BC3_mC36_12_3i_ai_c4i:As-La-Pd +mp-971702,YbNdCd2,-2.41271227,-0.3743284619,0.0,-0.01708808,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Nd-Yb,,A2BC_cF16_225_c_a_b:Cd-Nd-Yb +mp-1219324,Sm2ZrCo16,-7.0180531376,-0.0855290524,0.0288133935,0.0288133935,GGA,P-3m1,A16B2C_hP38_164_def2ij_cd_d:Co-Sm-Zr,38.0,A16B2C_hP38_164_def2ij_cd_d:Co-Sm-Zr +mp-1215350,ZrFeRe,-10.0920863658,-0.2713366908,0.0485908767,0.0485908767,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-Re-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-Re-Zr, expected Zr3(FeRe)2 to be ZrFeRe" +mp-1105693,Zr5Sb3As,-7.5360849772,-0.8933488356,0.0,-0.0301663651,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:As-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:As-Sb-Zr +mp-862892,PmCdHg2,-1.97976771,-0.4095695069,0.0,-0.0615941217,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Pm,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Pm +mp-1186436,Pm2CdHg,-3.073618535,-0.3917048425,0.0,-0.1352718925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Pm +mp-1097086,Li2InSb,-1.7711305425,0.9035021333,1.3916034842,1.3916034842,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Sb,4.0,AB2C_oI8_71_a_e_b:In-Li-Sb +mp-1097554,Zn2AgRh,-1.6790585025,1.5000292708,1.7622475146,1.7622475146,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Rh-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Rh-Zn +mp-862694,Al2IrRh,-6.9493920225,-1.025918595,0.0,-0.0019438025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Al-Ir-Rh +mp-974982,Rb3In,-1.3223411475,0.1009803394,0.1601213539,0.1601213539,GGA,I4/mmm,AB3_tI8_139_a_bd:In-Rb,4.0,AB3_tI8_139_a_bd:In-Rb +mp-974948,Rb3In,-1.3161205825,0.1072009044,0.1663419189,0.1663419189,GGA,Pm-3m,AB3_cP4_221_a_c:In-Rb,4.0,AB3_cP4_221_a_c:In-Rb +mp-1186848,Rb3In,-1.3173215975,0.1059998894,0.1651409039,0.1651409039,GGA,Fm-3m,AB3_cF16_225_a_bc:In-Rb,4.0,AB3_cF16_225_a_bc:In-Rb +mp-571505,Rb2In3,-2.172231241,-0.129007374,0.0056279338,0.0056279338,GGA,I4/mmm,A3B2_tI20_139_ei_de:In-Rb,10.0,"Invalid WP multiplicities - A3B2_tI20_139_e2i_de:In-Rb, expected Rb2In5 to be Rb2In3" +mp-31309,RbInSe2,-3.8318458106,-1.1508356212,0.0,-0.1955855065,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:In-Rb-Se,32.0,"Invalid WP multiplicities - ABC2_mC64_15_2f_4f_2e4f:In-Rb-Se, expected Rb4In2Se5 to be RbInSe2" +mp-21477,RbIn4,-2.51002221,-0.1125684115,0.0,-0.0475132955,GGA,I4/mmm,A4B_tI10_139_de_a:In-Rb,5.0,"Invalid WP multiplicities - A4B_tI10_139_2d2e_a:In-Rb, expected RbIn8 to be RbIn4" +mp-640712,Rb8In11,-2.1428946447,-0.1369581389,0.0,-0.0124773395,GGA,R-3c,A11B8_hR114_167_cef_cf:In-Rb,38.0,"Invalid WP multiplicities - A11B8_hR114_167_3c5e7f_3c4f:In-Rb, expected Rb10In21 to be Rb8In11" +mp-1187950,Yb2ZnIr,-3.72449871,-0.4301501225,0.0019056515,0.0019056515,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Yb-Zn,,AB2C_cF16_225_a_c_b:Ir-Yb-Zn +mp-1078837,DyZnPd,-4.4388169278,-0.7566795078,0.0,-0.0683182562,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Dy-Pd-Zn +mp-1184095,Dy2ZnAg,-3.6545960225,-0.3281276992,0.01225226,0.01225226,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Zn +mp-1194035,Dy4Zn5Ge6,-4.049952017,-0.5523498477000001,0.0,-0.0306453008,GGA,Cmc2_1,A4B6C5_oC60_36_4a_6a_5a:Dy-Ge-Zn,30.0,A4B6C5_oC60_36_4a_6a_5a:Dy-Ge-Zn +mp-5508,Th(SiPd)2,-6.646780758,-0.921929172,0.0,-0.2308684877,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Th +mp-977433,ErMgZn2,-2.50784163,-0.33597011,0.0,-0.0371949451,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Mg-Zn +mp-1226732,Ce2TeSe,-6.3866651375,-1.7603162173,0.0519859225,0.0519859225,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Ce-Se-Te,4.0,A2BC_tP4_123_ad_b_c:Ce-Se-Te +mp-680086,Bi34Ir3Br37,-3.6877600359,-0.7883819120000001,0.0531866395,0.0531866395,GGA,P1,A34B37C3_aP74_1_34a_37a_3a:Bi-Br-Ir,74.0,A34B37C3_aP74_1_34a_37a_3a:Bi-Br-Ir +mp-1100416,TaBiRu,-7.72163442,0.60258868,0.81560991,0.81560991,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ru-Ta,3.0,ABC_cF12_216_a_b_c:Bi-Ru-Ta +mp-1005760,Tl3Os,-3.6057811412,0.9730430762,0.9730430762,0.9730430762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Tl,8.0,AB3_hP8_194_c_h:Os-Tl +mp-1097069,Sc2TlOs,-4.2254109925,2.3383262042,2.6175565516,2.6175565516,GGA,Immm,AB2C_oI8_71_a_e_b:Os-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Os-Sc-Tl +mp-1225128,EuGa3Ag,-4.8526566540000005,-0.4178874798,0.0,-0.0155262961,GGA,I-4m2,ABC3_tI10_119_a_c_bf:Ag-Eu-Ga,5.0,ABC3_tI10_119_a_c_bf:Ag-Eu-Ga +mp-1225457,Eu2GaAg3,-5.704814005,-0.3648527329,0.0106366283,0.0106366283,GGA,Cm,A3B2C_mC12_8_3a_2a_a:Ag-Eu-Ga,6.0,A3B2C_mC12_8_3a_2a_a:Ag-Eu-Ga +mp-1225134,EuGaAg4,-4.33196444,-0.2294108007,0.0011432074,0.0011432074,GGA,Cmmm,A4BC_oC12_65_eh_c_a:Ag-Eu-Ga,6.0,A4BC_oC12_65_eh_c_a:Ag-Eu-Ga +mp-1225220,EuGaAg,-5.7954255183,-0.4228742431,0.01458383,0.01458383,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Eu-Ga,6.0,ABC_mC12_12_i_i_i:Ag-Eu-Ga +mp-1225364,Eu2Ga7Ag,-4.888650393,-0.4343272169,0.0,-0.003212899,GGA,P-4m2,AB2C7_tP10_115_a_g_bcd2g:Ag-Eu-Ga,10.0,"Invalid WP multiplicities - AB2C7_tP10_115_a_g_bcd4g:Ag-Eu-Ga, expected Eu2Ga11Ag to be Eu2Ga7Ag" +mp-1096169,Cd2AgPt,-1.4607474225,1.2266197883,1.422111815,1.411470137,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-Pt,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-Pt +mp-1183537,Cd2AgPt,-2.8828592375,-0.1954920267,0.0,-0.010641678,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Cd-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Cd-Pt +mp-1227318,Be4InCu,-3.46493934,0.1698176367,0.2400047367,0.2400047367,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Cu-In,6.0,A4BC_cF24_216_e_a_c:Be-Cu-In +mp-865841,YbPaPt2,-6.74627184,-0.947136945,0.0,-0.0590224651,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Pt-Yb,,AB2C_cF16_225_a_c_b:Pa-Pt-Yb +mp-13271,ErAsPd,-5.9900631683,-1.1878234933,0.0,-0.0619988163,GGA,Pnma,ABC_oP12_62_c_c_c:As-Er-Pd,12.0,ABC_oP12_62_c_c_c:As-Er-Pd +mp-862813,PaPbAu2,-5.217540245,-0.2737713125,0.0,-0.0157101958,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pa-Pb,4.0,A2BC_cF16_225_c_a_b:Au-Pa-Pb +mp-574070,Cs4Pb9,-3.0373499437,-0.1915473961,0.0,-0.1006839723,GGA,P2_1/c,A4B9_mP52_14_4e_9e:Cs-Pb,52.0,"Invalid WP multiplicities - A4B9_mP52_14_15e_34e:Cs-Pb, expected Cs15Pb34 to be Cs4Pb9" +mp-1183989,CsPb3,-3.1067712712,-0.0984353757,0.0571968836,0.0571968836,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cs-Pb,8.0,AB3_hP8_194_c_h:Cs-Pb +mp-1183951,Cs3Pb4Au,-2.8701698419,-0.2688351673,0.0,-0.0536753153,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-Cs-Pb,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_b2e_e2f:Au-Cs-Pb, expected Cs5Pb6Au to be Cs3Pb4Au" +mp-11839,GdSbPt,-9.34541769,-1.25333209,0.0,-0.2151547628,GGA,F-43m,ABC_cF12_216_a_c_b:Gd-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Gd-Pt-Sb +mp-568926,GdSbPt,-8.82137265,-0.72928705,0.52404504,0.3088902772,GGA,F-43m,ABC_cF12_216_a_b_c:Gd-Pt-Sb,3.0,ABC_cF12_216_a_b_c:Gd-Pt-Sb +mp-1205780,Er7(TePt)2,-5.6025659873,-1.0204832512,0.0263738532,0.0263738532,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Er-Pt-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Er-Pt-Te +mp-979962,AcYbCd2,-2.2400629425,-0.3634222406,0.0,-0.0751672821,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Cd-Yb,,AB2C_cF16_225_a_c_b:Ac-Cd-Yb +mp-568686,Er5BiAu2,-4.4637717881,-0.3104158906,0.3912444419,0.3859711622,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Er,16.0,"Invalid WP multiplicities - A2BC5_tI32_140_h_a_2c2l:Au-Bi-Er, expected Er10BiAu2 to be Er5BiAu2" +mp-1181438,Er5BiAu2,-4.85501623,-0.7016603325,0.0,-0.0052732797,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Er,16.0,A2BC5_tI32_140_h_a_cl:Au-Bi-Er +mp-1077341,YbCu4Ni,-4.115969445,-0.163207505,0.0736618322,0.0736618322,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Ni-Yb,,A4BC_cF24_216_e_a_c:Cu-Ni-Yb +mp-1215563,YbCu2Ni3,-4.7696470217,-0.2565750783,0.0,-0.0132245567,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Cu-Ni-Yb,,A2B3C_hP6_191_c_g_a:Cu-Ni-Yb +mp-1224414,GeBiPd6,-5.2177666238,-0.2749156431,0.0832267641,0.0832267641,GGA,R-3m,ABC6_hR24_166_a_b_3c:Bi-Ge-Pd,8.0,"Invalid WP multiplicities - ABC6_hR24_166_a_b_4c:Bi-Ge-Pd, expected GeBiPd8 to be GeBiPd6" +mp-22149,DyGeAu,-4.9970542633,-0.8291553650000001,0.0,-0.0796001967,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Dy-Ge,6.0,ABC_hP6_186_b_a_b:Au-Dy-Ge +mp-1097141,FeSnRh2,-4.30650342,2.4955487812,2.7965725,2.7675296812,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Rh-Sn,4.0,AB2C_oI8_71_a_e_b:Fe-Rh-Sn +mp-1018062,FeSnRh2,-7.10307592,-0.3010237188,0.0,-0.0290428188,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Fe-Rh-Sn,4.0,AB2C_tI8_139_a_d_b:Fe-Rh-Sn +mp-1184221,FeSnRh2,-7.0606237125,-0.2585715113,0.0424522075,0.0134093887,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Fe-Rh-Sn +mp-3630,HoInAu,-4.2727905111,-0.7367989778,0.0,-0.0403697194,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Ho-In,9.0,ABC_hP9_189_ad_f_g:Au-Ho-In +mp-30388,HoInAu2,-4.1730883725,-0.7026242225,0.0,-0.0234949672,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ho-In,4.0,A2BC_cF16_225_c_a_b:Au-Ho-In +mp-1080710,Ho2InAu2,-4.508770314,-0.81591722,0.0,-0.0170585233,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Ho-In,10.0,A2B2C_tP10_127_g_h_a:Au-Ho-In +mp-974517,NdErMg2,-3.2235158825,-0.0894092969,0.0002775375,0.0002775375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Nd +mp-862964,PmSmMg2,-3.2721140625,-0.1046919231,0.0,-0.00229942,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pm-Sm,4.0,A2BC_cF16_225_c_a_b:Mg-Pm-Sm +mp-1202575,Ho2Nb3Ge4,-7.1810865019,-0.7409926931,0.0,-0.0957008665,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Ho-Nb,36.0,A4B2C3_oP36_62_2cd_d_cd:Ge-Ho-Nb +mp-1186155,NaCeHg2,-2.244786615,-0.2790428204,0.0047925804,0.0047925804,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Na +mp-672338,Cs(Bi2Te3)2,-3.8064669084,-0.6139947037,0.0,-0.0320578014,GGA,Cm,A4BC6_mC88_8_16a_4a_24a:Bi-Cs-Te,44.0,"Invalid WP multiplicities - A4BC6_mC88_12_15i_3i_24i:Bi-Cs-Te, expected CsBi5Te8 to be Cs(Bi2Te3)2" +mp-1204077,Cs(Bi2Te3)2,-3.7548761305,-0.5624039257,0.051590778,0.0195329766,GGA,C2/m,A4BC6_mC88_12_8i_2i_12i:Bi-Cs-Te,44.0,"Invalid WP multiplicities - A4BC6_mC88_12_15i_3i_24i:Bi-Cs-Te, expected CsBi5Te8 to be Cs(Bi2Te3)2" +mp-1097386,AlCrTc2,-5.224139115,3.3058361825,3.616644975,3.616644975,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cr-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Cr-Tc +mp-1097254,Al2CrTc,-4.161732905,2.7144766138,3.0044786714,3.0044786714,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cr-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Cr-Tc +mp-1209795,Pr2(Al3Ir)3,-5.8237762879,-0.8389693936,0.0,-0.1648241586,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Pr,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Pr +mp-1219169,Sm2ZnSb4,-4.7037646171,-0.8162044971,0.0,-0.0259254549,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:Sb-Sm-Zn,7.0,A4B2C_tP7_115_abg_g_c:Sb-Sm-Zn +mp-1206571,Sm2ZnSb3,-1.95235974,1.8949601933,2.7960404111,2.7960404111,GGA,P4/mmm,A3B2C_tP6_123_ag_g_b:Sb-Sm-Zn,6.0,A3B2C_tP6_123_ag_g_b:Sb-Sm-Zn +mp-1098323,SrCeMg6,-2.0273413112,0.1256915523,0.1787863948,0.1787863948,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Sr +mp-1099332,SrCeMg6,-2.032819505,0.1202133585,0.173308201,0.173308201,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Sr,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Sr +mp-1099097,SrCeMg14,-1.7829687294,0.0936877274,0.1315120747,0.1315120747,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Sr, expected SrCeMg18 to be SrCeMg14" +mp-1026736,SrCeMg14,-1.8134926706,0.0631637861,0.1009881334,0.1009881334,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Sr, expected SrCeMg26 to be SrCeMg14" +mp-1100442,TiAuBr,-4.0153724467,0.2254283356,1.2117675456,1.2117675456,GGA,F-43m,ABC_cF12_216_a_c_b:Au-Br-Ti,3.0,ABC_cF12_216_a_c_b:Au-Br-Ti +mp-4275,Sm(SiPd)2,-6.109581622,-0.923784459,0.0,-0.0881645566,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Sm +mp-1208894,Sm2Si5Pd3,-6.0065104685,-0.7961696835000001,0.0,-0.0067257375,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Pd-Si-Sm,20.0,A3B5C2_oI40_72_aj_bfj_j:Pd-Si-Sm +mp-1208966,Sm3(SiPd)2,-5.8977161561,-0.8454078582000001,0.0168695705,0.0168695705,GGA,Pbcm,A2B2C3_oP28_57_e_cd_de:Pd-Si-Sm,28.0,A2B2C3_oP28_57_e_cd_de:Pd-Si-Sm +mp-1190170,SmSiPd2,-6.0696909481,-0.9437740019,0.0,-0.0465293954,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Si-Sm,16.0,A2BC_oP16_62_d_c_c:Pd-Si-Sm +mp-680578,Sm4Si3Pd4,-5.9719772068,-0.8929021277,0.0285160632,0.0285160632,GGA,C2/c,A4B3C4_mC44_15_2f_ef_2f:Pd-Si-Sm,22.0,"Invalid WP multiplicities - A4B3C4_mC44_15_5f_2e2f_3f:Pd-Si-Sm, expected Sm3Si3Pd5 to be Sm4Si3Pd4" +mp-1219181,Sm2Si3Pd,-6.016772895,-0.8679382,0.0,-0.0888649431,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Pd-Si-Sm,6.0,AB3C2_oI12_44_a_a2b_ab:Pd-Si-Sm +mp-1208981,Sm3(Si3Pd10)2,-5.9996043379,-0.8166628626,0.0,-0.0774320674,GGA,Fm-3m,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Sm,29.0,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Sm +mp-1103066,SmSiPd,-6.0030229408,-0.8950942825,0.0407496419,0.0003651752,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Si-Sm,12.0,ABC_oP12_62_c_c_c:Pd-Si-Sm +mp-1208992,SmSiPd,-6.0437725828,-0.9358439244,0.0,-0.0403844667,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Pd-Si-Sm,36.0,ABC_oP36_62_3c_3c_3c:Pd-Si-Sm +mp-1218967,SmSiPd,-6.0007909433,-0.8928622850000001,0.0429816394,0.0025971727,GGA,P-6m2,ABC_hP3_187_a_c_f:Pd-Si-Sm,3.0,ABC_hP3_187_a_c_f:Pd-Si-Sm +mp-3415,Yb(SiRu)2,-6.967718414,-0.77990853,0.0,-0.270303084,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Yb,,A2B2C_tI10_139_d_e_a:Ru-Si-Yb +mp-1102195,TiSiPt,-7.4475613608,-0.9835802386,0.0,-0.1995957634,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Ti,12.0,ABC_oP12_62_c_c_c:Pt-Si-Ti +mp-961706,TiSiPt,-7.387233099999999,-0.9232519778,0.0603282608,-0.1392675026,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Si-Ti,3.0,ABC_cF12_216_c_a_b:Pt-Si-Ti +mp-1186480,Pm2CdPb,-3.96725029,-0.4330949212,0.0,-0.15495875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pb-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-Pb-Pm +mp-862965,PmTlAu2,-3.984568315,-0.5693309477,0.0,-0.0266939525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Pm-Tl +mp-1187639,Tm2PdRh,-6.32794006,-0.9539749283,0.0111848925,0.0111848925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Tm +mp-1096457,Hf2ReAg,-5.3254950125,3.4723702996,3.7241876244,3.7241876244,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Hf-Re,4.0,AB2C_oI8_71_a_e_b:Ag-Hf-Re +mp-1095867,Ta2MnTc,-6.65104374,4.1585086343,4.4911906047,4.4911906047,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Mn-Ta-Tc +mp-510052,Hf5(In2Rh)2,-7.3178978641,-0.4523255177,0.0,-0.056106118,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Hf-In-Rh,22.0,"Invalid WP multiplicities - A5B4C2_oP22_55_2a7g_5h_h:Hf-In-Rh, expected Hf8In5Rh to be Hf5(In2Rh)2" +mp-865066,HfInRh2,-7.6242083875,-0.7648362625,0.0,-0.0588033171,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-In-Rh,4.0,ABC2_cF16_225_a_b_c:Hf-In-Rh +mp-1224087,La3InPb4,-4.6013695088,-0.5500828431,0.0,-0.0273607719,GGA,Fmm2,AB3C4_oF64_42_c_bcd_bc2d:In-La-Pb,16.0,AB3C4_oF64_42_c_bcd_bc2d:In-La-Pb +mp-1187346,TbHoIn2,-4.13668677,-0.4566511625,0.0,-0.0310289427,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Tb,4.0,AB2C_cF16_225_a_c_b:Ho-In-Tb +mp-1093570,LiFePt2,-3.7867415475,1.8435611317,2.2632806225,2.2632806225,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Li-Pt,4.0,ABC2_oI8_71_a_b_e:Fe-Li-Pt +mp-1183582,CaYbPb2,-3.2561633325,-0.5135377575,0.0222463625,0.0222463625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pb-Yb,,AB2C_cF16_225_a_c_b:Ca-Pb-Yb +mp-1208331,TbSbIr,-6.7694701158,-0.9022029425,0.0217711783,0.0217711783,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sb-Tb,12.0,ABC_oP12_62_c_c_c:Ir-Sb-Tb +mp-510564,NdIn5Rh,-4.1398312186,-0.4411349396,0.0,-0.0335132573,GGA,P4/mmm,A5BC_tP7_123_ci_a_b:In-Nd-Rh,7.0,A5BC_tP7_123_ci_a_b:In-Nd-Rh +mp-31330,NdInRh,-5.6606322578,-0.6992525803,0.0,-0.059119945,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Nd-Rh,9.0,ABC_hP9_189_f_g_bc:In-Nd-Rh +mp-975537,NdInRh2,-6.162310695,-0.6001989694000001,0.0110173873,0.0110173873,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Nd-Rh,4.0,ABC2_cF16_225_a_b_c:In-Nd-Rh +mp-646420,Nd2InRh2,-6.073688237,-0.67036937,0.0202677687,0.0202677687,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Nd-Rh,10.0,AB2C2_tP10_127_a_h_g:In-Nd-Rh +mp-1206811,NdIn2Rh,-5.0112924075,-0.6023367169,0.0,-0.0160106044,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Nd-Rh,8.0,A2BC_oC16_63_f_c_c:In-Nd-Rh +mp-1096051,LiCd2Cu,-1.1149347325,0.8485425317,0.9934305956,0.9934305956,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Cu-Li,4.0,A2BC_oI8_71_e_a_b:Cd-Cu-Li +mp-1185314,LiCd2Cu,-2.10126434,-0.1377870758,0.0071009881,0.0071009881,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Cu-Li,4.0,A2BC_cF16_225_c_a_b:Cd-Cu-Li +mp-975515,NdLuMg2,-3.2028827475,-0.0804682344,0.0092186,0.0092186,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Nd +mp-1225087,Er(CrFe5)2,-8.3551927908,-0.0033446485,0.0272909441,0.0272909441,GGA,Immm,A2BC10_oI26_71_e_a_fghk:Cr-Er-Fe,13.0,A2BC10_oI26_71_e_a_fghk:Cr-Er-Fe +mp-1097160,NiGeRh2,-3.8012028975,2.4817421713,2.8252893381,2.8252893381,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Ni-Rh,4.0,ABC2_oI8_71_a_b_e:Ge-Ni-Rh +mp-1222277,LiSbSe2,-4.086165465,-0.8287286995,0.04421643,0.0396646919,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Li-Sb-Se,4.0,ABC2_tP4_123_a_d_bc:Li-Sb-Se +mp-37480,LiSbSe2,-4.130381895,-0.8729451295,0.0,-0.0045517381,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Sb-Se,8.0,ABC2_tI16_141_a_b_e:Li-Sb-Se +mp-1225648,Er4CrSe7,-6.185968405,-1.8196931505,0.0910277739,0.0910277739,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Er-Se,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Er-Se +mp-22384,DyInPt,-5.47054615,-0.99401152,0.0,-0.1083636639,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-In-Pt,9.0,ABC_hP9_189_f_g_ad:Dy-In-Pt +mp-1205433,Dy(InPt)4,-5.1284041367,-0.69528691,0.0,-0.0026043056,GGA,P6_3/mmc,AB4C4_hP18_194_c_ef_2f:Dy-In-Pt,18.0,AB4C4_hP18_194_c_ef_2f:Dy-In-Pt +mp-510050,Dy2In16Pt7,-4.3357146844,-0.5061768204,0.021097079,0.021097079,GGA,Cmmm,A2B16C7_oC50_65_g_hj2pq_aiq:Dy-In-Pt,25.0,A2B16C7_oC50_65_g_hj2pq_aiq:Dy-In-Pt +mp-1025525,DyInPt2,-5.6971536825,-0.82196938,0.1369213163,0.1060588269,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Dy-In-Pt,8.0,ABC2_hP8_194_a_c_f:Dy-In-Pt +mp-1078790,DyInPt2,-5.8340749988,-0.9588906963,0.0,-0.0308624894,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Dy-In-Pt,8.0,ABC2_hP8_194_c_a_f:Dy-In-Pt +mp-1025113,DyInPt4,-6.0689712167,-0.7951372417,0.03356635,0.03356635,GGA,F-43m,ABC4_cF24_216_a_c_e:Dy-In-Pt,6.0,ABC4_cF24_216_a_c_e:Dy-In-Pt +mp-1213288,Dy5(In2Pt)2,-5.01141286,-0.8129641545,0.0,-0.0603652291,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Dy-In-Pt,22.0,A5B4C2_oP22_55_a2g_2h_h:Dy-In-Pt +mp-866225,AcMgHg2,-2.01472944,-0.4325254931,0.0,-0.1360673375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Mg +mp-976030,PrHoMg2,-3.2348829275,-0.0939142462,0.0,-0.0006614675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Pr +mp-1095776,LiCd2Hg,-0.4698474075,0.5447482804,0.7316503400000001,0.7316503400000001,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Hg-Li,4.0,A2BC_oI8_71_e_a_b:Cd-Hg-Li +mp-1097282,LiCdHg2,-0.44240015,0.4173931892,0.6221922575000001,0.6042952487000001,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Cd-Hg-Li +mp-1185207,LiCdHg2,-1.0645924075,-0.2047990683,0.0,-0.0178970088,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Li,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Li +mp-976114,Li2CdHg,-1.5722683275,-0.3111643629,0.0011843087,0.0011843087,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Li,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Li +mp-21518,CeMgTl,-3.5112082722,-0.2125374883,0.0,-0.033065525,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Mg-Tl,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ce-Mg-Tl, expected Ce3Mg3Tl5 to be CeMgTl" +mp-1208905,Sm2(Al3Rh)3,-5.4858457814,-0.8258258993,0.0,-0.0990052394,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Sm +mp-1102691,LuAlPt,-5.9619493792,-1.1827294892,0.0,-0.1350347719,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Lu-Pt,12.0,ABC_oP12_62_c_c_c:Al-Lu-Pt +mp-1210587,Lu4(Al8Pt3)3,-5.2803714222,-0.8852951551,0.0,-0.0869852246,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Lu-Pt,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Lu-Pt +mp-1227416,Ca2(ZnAu3)3,-3.1114611614,-0.450363405,0.0,-0.0382956436,GGA,C222,A9B2C3_oC28_21_a2kl_k_bcd:Au-Ca-Zn,14.0,"Invalid WP multiplicities - A9B2C3_oC28_21_a4kl_k_bcd:Au-Ca-Zn, expected Ca2Zn3Au13 to be Ca2(ZnAu3)3" +mp-1096705,CaZnAu2,-1.87266962,0.5806072525,1.1351373027,1.1351373027,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Zn +mp-9023,ScSiAu,-5.73082277,-0.7202663917000001,0.0,-0.0437258542,GGA,P-6m2,ABC_hP6_187_h_ab_i:Au-Sc-Si,6.0,ABC_hP6_187_h_ab_i:Au-Sc-Si +mp-22433,Np(SiIr)2,-9.051685607,-0.7566287868,0.0,-0.2209181563,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ir-Np-Si,10.0,A2BC2_tP10_129_ac_c_bc:Ir-Np-Si +mp-1189145,Dy2Si4Mo3,-7.6921794394,-0.6419798694000001,0.0,-0.0760033379,GGA,P2_1/c,A2B3C4_mP18_14_e_ae_2e:Dy-Mo-Si,18.0,A2B3C4_mP18_14_e_ae_2e:Dy-Mo-Si +mp-13967,Nb5(CuSi)4,-7.2939653023,-0.4782249946,0.0,-0.0512675964,GGA,I4/m,A4B5C4_tI26_87_h_ah_h:Cu-Nb-Si,13.0,A4B5C4_tI26_87_h_ah_h:Cu-Nb-Si +mp-1103166,Nb4CuSi,-8.5471629242,-0.2255387808,0.0645027328,0.0645027328,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Cu-Nb-Si,12.0,AB4C_tP12_124_a_m_c:Cu-Nb-Si +mp-862556,ScSiPd2,-6.3311621675,-0.8017744787000001,0.0752393938,0.0752393938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sc-Si,4.0,A2BC_cF16_225_c_a_b:Pd-Sc-Si +mp-1102080,ScSiPd,-6.6027643533,-0.956874705,0.0,-0.1552149375,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sc-Si,12.0,ABC_oP12_62_c_c_c:Pd-Sc-Si +mp-12100,Lu(SiNi)2,-6.198226162,-0.811854174,0.0,-0.0666465074,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Ni-Si +mp-1191707,Lu3(SiNi3)2,-6.0757182641,-0.7035084732,0.0,-0.0519271595,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Lu-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Lu-Ni-Si +mp-1105977,Lu2Si5Ni3,-6.070716579,-0.7198264560000001,0.0118992708,0.0118992708,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Lu-Ni-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Lu-Ni-Si +mp-1210991,LuSi3Ni5,-6.2160518806,-0.6940976572,0.0,-0.0418271894,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Lu-Ni-Si,36.0,AB5C3_oP36_62_c_5c_3c:Lu-Ni-Si +mp-973633,LuSi2Ni,-6.0810270537,-0.7930962388,0.0,-0.0658832438,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Lu-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Lu-Ni-Si +mp-1186646,PmNdIn2,-4.2378043875,-0.4822900837,0.0,-0.0845999538,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Nd-Pm,4.0,A2BC_cF16_225_c_a_b:In-Nd-Pm +mp-1209288,PrTeAs,-5.5579656292,-1.3635222781,0.0,-0.0812109374,GGA,Pnma,ABC_oP12_62_c_c_c:As-Pr-Te,12.0,ABC_oP12_62_c_c_c:As-Pr-Te +mp-1184516,GdErHg2,-5.2974861225,-0.4846856775,0.0131514875,0.0131514875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-Hg,4.0,ABC2_cF16_225_a_b_c:Er-Gd-Hg +mp-1097107,HfZrHg2,-2.15438328,2.6236793175,2.7531155981,2.7531155981,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Hg-Zr,4.0,AB2C_oI8_71_a_e_b:Hf-Hg-Zr +mp-1225590,ErAgSn,-4.0768909417,-0.2736087189,0.2951709267,0.1865526534,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Er-Sn,6.0,ABC_hP6_164_d_c_d:Ag-Er-Sn +mp-569724,ErAgSn,-4.3720618683,-0.5687796456,0.0,-0.1086182732,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Er-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Er-Sn +mp-13265,ErAgSn,-4.3601099711,-0.5568277483,0.0119518972,-0.096666376,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Er-Sn,9.0,ABC_hP9_189_f_g_bc:Ag-Er-Sn +mp-1225506,ErAgSn2,-4.2715727275,-0.4167180967,0.0098666375,0.0098666375,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ag-Er-Sn,4.0,ABC2_tP4_123_a_c_e:Ag-Er-Sn +mp-1079148,LuSnRh,-6.1976381044,-0.8993613561,0.0,-0.123069315,GGA,P-62m,ABC_hP9_189_f_ad_g:Lu-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Lu-Rh-Sn +mp-865378,LuSnRh2,-6.67104584,-0.8562613112,0.0,-0.1101032831,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Sn +mp-862859,PuCdAu2,-5.8138296,-0.3792065775,0.0,-0.1204658615,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Pu,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Pu +mp-1096699,HfPdAu2,-3.5193770825,1.9018316275,2.5171168365,2.5171168365,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Pd,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Pd +mp-984768,DyHoIr2,-7.568028305,-0.8515122875000001,0.0018080078,0.0018080078,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-Ir,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-Ir +mp-1186338,NdTmIn2,-4.1355368425,-0.4486992635,0.0050677731,0.0050677731,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Nd-Tm,4.0,A2BC_cF16_225_c_a_b:In-Nd-Tm +mp-1183862,DyErCu2,-4.6002125475,-0.2569828,0.003746125,0.003746125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-Er,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-Er +mp-36407,Nd2EuSe4,-7.0368107729,-2.2115332621,0.0,-0.0144181259,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Nd-Se,14.0,AB2C4_tI28_122_a_d_e:Eu-Nd-Se +mp-631423,TaPbBr,-4.5767240433000005,1.1310936333,1.8057549262,1.8057549262,GGA,F-43m,ABC_cF12_216_c_a_b:Br-Pb-Ta,3.0,ABC_cF12_216_c_a_b:Br-Pb-Ta +mp-975442,NdErIn2,-4.1673397075,-0.4575312819,0.0,-0.0022586575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Nd,4.0,AB2C_cF16_225_a_c_b:Er-In-Nd +mp-1188851,Ho5BiAu2,-4.8616633006,-0.6991261156,0.0,-0.0012125318,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Bi-Ho,16.0,A2BC5_tI32_140_h_a_cl:Au-Bi-Ho +mp-861628,Er2TlCd,-3.4254511075,-0.3202084758,0.0,-0.0078852625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Er-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Er-Tl +mp-862919,PmInHg2,-2.4229017025,-0.3955050069,0.0044440225,0.0044440225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Pm,4.0,A2BC_cF16_225_c_a_b:Hg-In-Pm +mp-982613,Pm2InHg,-3.614736905,-0.47562472,0.0,-0.1826166563,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Pm,4.0,ABC2_cF16_225_a_b_c:Hg-In-Pm +mp-1079842,HfGaRh,-7.6037685456,-0.8205709047,0.0,-0.0555368611,GGA,P-62m,ABC_hP9_189_f_g_bc:Ga-Hf-Rh,9.0,ABC_hP9_189_f_g_bc:Ga-Hf-Rh +mp-865019,HfGaRh2,-7.822675195,-0.8941999969000001,0.0,-0.0779114748,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hf-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Hf-Rh +mp-1193089,Hf6Ga16Rh7,-6.1047749555,-0.5964016579,0.0251219991,0.0251219991,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Rh,29.0,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Rh +mp-1190784,TaTe4Os,-6.4619394638,-0.5188780249,0.0,-0.0173042582,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Os-Ta-Te,24.0,ABC4_oP24_31_2a_2a_8a:Os-Ta-Te +mp-510592,Tb5CoSb2,-5.5736325381,-0.7563636912,0.0,-0.0303935892,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Co-Sb-Tb,32.0,AB2C5_oP32_62_c_d_3cd:Co-Sb-Tb +mp-866082,MgSc2Tc,-6.2779289725,-0.1214646712,0.0174873091,0.0174873091,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Mg-Sc-Tc +mp-1193071,Eu(BiSe2)2,-5.6699356807,-1.1097033992,0.0336882436,0.0336882436,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Eu-Se,28.0,A2BC4_oP28_62_2c_c_4c:Bi-Eu-Se +mp-1093609,NaIn2Pb,-1.6829893225,0.9516456334,1.0443125667,1.0443125667,GGA,Immm,A2BC_oI8_71_e_a_b:In-Na-Pb,4.0,A2BC_oI8_71_e_a_b:In-Na-Pb +mp-1197660,HfMnGe2,-7.5567897352,-0.4654747272,0.0,-0.0379766017,GGA,Pbam,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Mn,48.0,A2BC_oP48_55_2g2hi_gi_ei:Ge-Hf-Mn +mp-22018,Hf(MnGe)6,-7.4052052023,-0.2769399783,0.0,-0.0489003442,GGA,P6/mmm,A6BC6_hP13_191_cde_a_i:Ge-Hf-Mn,13.0,"Invalid WP multiplicities - A6BC6_hP13_191_2cd2e_a_i:Ge-Hf-Mn, expected Hf(Mn3Ge5)2 to be Hf(MnGe)6" +mp-1080769,HfMnGe,-8.4487651944,-0.5346878021,0.0,-0.0786699574,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Hf-Mn,9.0,ABC_hP9_189_ad_f_g:Ge-Hf-Mn +mp-980150,Th2ZnTc,-6.7313874825,-0.1193627187,0.0474777258,0.0474777258,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tc-Th-Zn,4.0,AB2C_cF16_225_a_c_b:Tc-Th-Zn +mp-973333,HoLuZn2,-3.2610034,-0.3552917475,0.00060382,0.00060382,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Lu-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Lu-Zn +mp-1193543,Nb4NiSe8,-6.7881030223,-1.0840531253,0.0,-0.0133590329,GGA,P6_3/mmc,A4BC8_hP26_194_bh_a_fk:Nb-Ni-Se,26.0,A4BC8_hP26_194_bh_a_fk:Nb-Ni-Se +mp-1188620,Nb3NiSe6,-6.751053092,-1.0451010254,0.0118507717,0.0118507717,GGA,P6_322,A3BC6_hP20_182_af_c_i:Nb-Ni-Se,20.0,A3BC6_hP20_182_af_c_i:Nb-Ni-Se +mp-865545,Pm2SiAu,-5.17986392,-0.6297927513,0.0,-0.2531611996,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Au-Pm-Si +mp-20934,Pu2Si4Tc3,-9.5891416217,-0.5537121089,0.0,-0.1311546381,GGA,P2_1/c,A2B4C3_mP18_14_e_2e_ae:Pu-Si-Tc,18.0,A2B4C3_mP18_14_e_2e_ae:Pu-Si-Tc +mp-1187743,Tm(Mg4Al3)4,-2.6473343048,-0.0601885744,0.0202091656,0.0202091656,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Tm,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Tm, expected TmMg49Al39 to be Tm(Mg4Al3)4" +mp-972093,Tm(Mg4Al3)4,-2.6553455307,-0.0681998002,0.0121979397,0.0121979397,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Tm,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Tm, expected Tm(Mg5Al)12 to be Tm(Mg4Al3)4" +mp-865356,Tm2MgAl,-3.82917065,-0.2547889683,0.0,-0.0216354206,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Tm,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Tm +mp-1096397,Mg2GaPd,-1.55434591,1.2977885731,1.74287169,1.74287169,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Ga-Mg-Pd +mp-1185763,Mg2GaPd,-3.2829938575,-0.4308593744,0.0142237425,0.0142237425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Ga-Mg-Pd +mp-865123,MgGaPd2,-4.465056925,-0.7180220019,0.0,-0.0157836719,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Pd +mp-865568,ThScTc2,-8.81494537,-0.1980440587,0.0307316169,0.0307316169,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sc-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Sc-Tc-Th +mp-1183071,AcCdAu2,-3.5221857625,-0.6242285706,0.0,-0.07472049,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Cd,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Cd +mp-1097552,LaScTl2,-2.1709550275,1.8274855983,2.1740885579,2.1740885579,GGA,Immm,ABC2_oI8_71_a_b_e:La-Sc-Tl,4.0,ABC2_oI8_71_a_b_e:La-Sc-Tl +mp-542522,Bi14PdBr16,-3.5708760906,-0.8678056742,0.0170791126,0.0170791126,GGA,P-1,A14B16C_aP31_2_7i_8i_a:Bi-Br-Pd,31.0,A14B16C_aP31_2_7i_8i_a:Bi-Br-Pd +mp-1095935,Sc2TlIn,-2.450875395,1.9939408767,2.2798283961,2.2798283961,GGA,Immm,AB2C_oI8_71_a_e_b:In-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:In-Sc-Tl +mp-1208150,ThCrSb3,-6.410624656,-0.5198427680000001,0.0297864355,0.0297864355,GGA,Pbcm,AB3C_oP20_57_c_c2d_d:Cr-Sb-Th,20.0,AB3C_oP20_57_c_c2d_d:Cr-Sb-Th +mp-861497,Pr2AgIr,-5.7297380875,-0.4215376642,0.0530381493,0.0530381493,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Pr,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Pr +mp-1210662,Lu4CdNi,-4.4548665592,-0.3237284725,0.0,-0.0480595279,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Lu-Ni,24.0,AB4C_cF96_216_e_efg_e:Cd-Lu-Ni +mp-1077095,LuCdNi4,-5.1355262767,-0.37479511,0.0,-0.0616099272,GGA,F-43m,ABC4_cF24_216_a_c_e:Cd-Lu-Ni,6.0,ABC4_cF24_216_a_c_e:Cd-Lu-Ni +mp-1097382,Zr2MoPd,-5.1130271375,3.1672061575,3.5654568419,3.5654568419,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Pd-Zr,4.0,ABC2_oI8_71_a_b_e:Mo-Pd-Zr +mp-1183806,DyLuIn2,-4.078264845,-0.42048864,0.0,-0.0017373728,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Lu,4.0,AB2C_cF16_225_a_c_b:Dy-In-Lu +mp-1102035,SmRe2,-9.948640295,-0.0794267933,0.0,-0.0794267933,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Sm,12.0,A2B_hP12_194_ah_f:Re-Sm +mp-1219361,Sm(Fe5Re)2,-8.8049905731,-0.0120788342,0.0062504258,0.0062504258,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Re-Sm,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Re-Sm +mp-978554,SmRe3,-10.0486491275,0.464392795,0.52396289,0.52396289,GGA,Fm-3m,A3B_cF16_225_ac_b:Re-Sm,4.0,A3B_cF16_225_ac_b:Re-Sm +mp-1219034,Sn2Sb4Pt3,-5.2086668406,-0.4588281039,0.0374308619,0.0374308619,GGA,Pm,A3B4C2_mP18_6_3a3b_2a6b_4a:Pt-Sb-Sn,18.0,A3B4C2_mP18_6_3a3b_2a6b_4a:Pt-Sb-Sn +mp-1218928,SnSbPt,-5.2414966617,-0.5049278567000001,0.0,-0.0381057216,GGA,P2/m,ABC_mP6_10_ce_m_n:Pt-Sb-Sn,6.0,ABC_mP6_10_ae_m_n:Pt-Sb-Sn +mp-684014,Sn14Sb11Pt8,-4.950233053,-0.4010789267,0.0,-0.0172862343,GGA,P1,A8B11C14_aP33_1_8a_11a_14a:Pt-Sb-Sn,33.0,A8B11C14_aP33_1_8a_11a_14a:Pt-Sb-Sn +mp-1097286,Sc2HgPt,-3.25555131,1.5043866638,2.332846555,2.332846555,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pt-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-Pt-Sc +mp-11242,DyPbAu,-4.54255657,-0.6781179333,0.0,-0.0688724911,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Dy-Pb,3.0,ABC_cF12_216_c_a_b:Au-Dy-Pb +mp-1212894,DySbRh,-6.4326609725,-1.0659623225,0.0,-0.1436345544,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Rh-Sb,12.0,ABC_oP12_62_c_c_c:Dy-Rh-Sb +mp-1184063,DySbRh2,-6.587762585,-0.72166163,0.105514575,0.105514575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Sb +mp-1201769,Sm6InFe13,-7.1274008302,-0.0687270167,0.0,-0.0149760825,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Sm,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Sm +mp-974063,HoScRu2,-7.8020339225,-0.4361131587,0.0142131982,0.0142131982,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Sc +mp-976159,PrErIn2,-4.16764302,-0.4546450138,0.0,-5.114750000000001e-05,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Pr,4.0,AB2C_cF16_225_a_c_b:Er-In-Pr +mp-1093895,InGaPd2,-2.97730052,1.0575853231,1.6366236106,1.6366236106,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-In-Pd,4.0,ABC2_oI8_71_a_b_e:Ga-In-Pd +mp-1215457,YbTlCd,-1.9506283367,-0.3422479411,0.0127488609,0.0127488609,GGA,P-6m2,ABC_hP3_187_a_c_f:Cd-Tl-Yb,,ABC_hP3_187_a_c_f:Cd-Tl-Yb +mp-864743,Yb2TlCd,-2.04235454,-0.4511671733,0.0,-0.0099830525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Tl-Yb,,ABC2_cF16_225_a_b_c:Cd-Tl-Yb +mp-866002,YbTl2Cd,-2.0752751075,-0.2783290242,0.0,-0.0031208851,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Tl-Yb,,AB2C_cF16_225_a_c_b:Cd-Tl-Yb +mp-1209440,Sc4Ge19Rh6,-5.5786389193,-0.1526646819,0.3451203184,0.3451203184,GGA,I23,A19B6C4_cI58_197_adf_e_c:Ge-Rh-Sc,29.0,A19B6C4_cI58_197_adf_e_c:Ge-Rh-Sc +mp-973066,ScGeRh2,-7.2612177025,-0.8401895275,0.0085411677,0.0085411677,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Ge-Rh-Sc +mp-541558,Sc4Ge6Rh7,-7.0773809365,-0.9233692518,0.0,-0.0732696282,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Rh-Sc,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Rh-Sc +mp-1095247,ScGeRh,-7.0915028667,-0.9849012567,0.00514527,-0.0665835387,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Sc,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Sc +mp-1079597,ScGeRh,-7.0966481367,-0.9900465267,0.0,-0.0717288087,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Rh-Sc,9.0,ABC_hP9_189_ad_g_f:Ge-Rh-Sc +mp-1102532,NbGeRh,-7.9712964458,-0.6084161908,0.0,-0.1004129625,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Nb-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Nb-Rh +mp-961726,NbGeRh,-7.3543513533,0.0085289017,0.6169450925000001,0.51653213,GGA,F-43m,ABC_cF12_216_a_c_b:Ge-Nb-Rh,3.0,ABC_cF12_216_a_c_b:Ge-Nb-Rh +mp-1215657,Zn9Ga3Mo2,-3.1258418457,-0.1177503616,0.0,-0.0522392787,GGA,P-3m1,A3B2C9_hP14_164_e_d_fi:Ga-Mo-Zn,14.0,A3B2C9_hP14_164_e_d_fi:Ga-Mo-Zn +mp-1067280,TmTlSe2,-5.06290065,-1.6053252687,0.0,-0.0907039881,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Tl-Tm,4.0,A2BC_hR12_166_c_a_b:Se-Tl-Tm +mp-865979,AcMgCd2,-2.156332115,-0.2645234706,0.0,-0.0659833575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Cd-Mg,4.0,AB2C_cF16_225_a_c_b:Ac-Cd-Mg +mp-1195540,Dy3(Al3Ru)4,-5.7103234432,-0.6648034095,0.0,-0.0379006163,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Dy-Ru,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Dy-Ru +mp-866094,HfZnCu2,-5.0506281925,-0.1967916975,0.0,-0.0140529482,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Hf-Zn,4.0,A2BC_cF16_225_c_a_b:Cu-Hf-Zn +mp-1194036,Hf6Zn16Cu7,-3.9454758741,-0.2008731628,0.0,-0.0157990989,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:Cu-Hf-Zn,29.0,A7B6C16_cF116_225_ad_e_2f:Cu-Hf-Zn +mp-1071694,TmZnGa,-3.473525045,-0.5523000264,0.0,-0.0438651063,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Tm-Zn,6.0,ABC_hP6_194_c_a_d:Ga-Tm-Zn +mp-972244,Tm2ZnGa,-3.79269371,-0.4828160902,0.0069322113,0.0069322113,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Tm-Zn +mp-1206522,Yb(ZnGa)2,-2.41488968,-0.391832171,0.0016591062,0.0016591062,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ga-Yb-Zn,,A2BC2_tI10_139_e_a_d:Ga-Yb-Zn +mp-1215846,Yb(ZnGa)2,-2.393421024,-0.370363515,0.0231277622,0.0231277622,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ga-Yb-Zn,,A2BC2_tI10_139_d_a_e:Ga-Yb-Zn +mp-1215551,YbZnGa,-2.4381659183,-0.4956832808,0.0,-0.0083796533,GGA,C2/m,ABC_mC12_12_i_i_i:Ga-Yb-Zn,,ABC_mC12_12_i_i_i:Ga-Yb-Zn +mp-1215537,YbZnGa3,-2.78898296,-0.4122549685,0.0,-0.011714289,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ga-Yb-Zn,,A3BC_tI10_107_ab_a_a:Ga-Yb-Zn +mp-977442,Yb2ZnGa,-2.2788415175,-0.4370774694,0.0,-0.0330229425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Yb-Zn,,AB2C_cF16_225_a_c_b:Ga-Yb-Zn +mp-10892,MnAlPt,-6.9627808633,-0.6365393826,0.0584101532,0.0584101532,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Mn-Pt,6.0,ABC_hP6_194_c_a_d:Al-Mn-Pt +mp-10893,MnAlPt2,-6.9504905,-0.6880260595000001,0.0062868919,0.0062868919,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Pt,4.0,ABC2_cF16_225_a_b_c:Al-Mn-Pt +mp-1225142,EuSiAg,-6.5205979033,-0.3489726256,0.1103016208,0.1103016208,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Eu-Si,3.0,ABC_hP3_187_a_d_e:Ag-Eu-Si +mp-1191372,Eu2Si3Ag,-7.1359033271,-0.5321510449,0.0,-0.0866673196,GGA,Fddd,AB2C3_oF96_70_e_2f_eh:Ag-Eu-Si,24.0,AB2C3_oF96_70_e_2f_eh:Ag-Eu-Si +mp-22653,Eu(SiAg)2,-5.682298004,-0.3277480307,0.0,-0.0084574038,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Eu-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Eu-Si +mp-631488,NiRuBr2,-4.0496970225,0.4904519475,1.096171385,1.096171385,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Br-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Br-Ni-Ru +mp-1093638,Zr2TcMo,-5.75110573,3.8243168488,3.9946438366,3.9946438366,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Mo-Tc-Zr +mp-21458,GdCdCu,-5.2734333256,1.0926395644,1.3774557044,1.3774557044,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Cu-Gd,9.0,ABC_hP9_189_f_bc_g:Cd-Cu-Gd +mp-31447,TbAgPb,-4.1438102017,-0.4172871439,0.0,-0.0628805268,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Pb-Tb,6.0,ABC_hP6_186_b_b_a:Ag-Pb-Tb +mp-1225578,DyErTe2,-5.31714069,-1.4518613308,0.0,-0.00045852,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Dy-Er-Te,4.0,ABC2_tP4_123_a_d_bc:Dy-Er-Te +mp-1205957,Hf6NiBi2,-8.4004107322,-0.2666052744,0.0,-0.0632856352,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Hf-Ni,9.0,A2B6C_hP9_189_c_fg_b:Bi-Hf-Ni +mp-1183883,Eu2AgBi,-7.44702985,-0.6502676667,0.0363497471,0.0363497471,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Bi-Eu,4.0,ABC2_cF16_225_a_b_c:Ag-Bi-Eu +mp-23378,EuAgBi,-6.242297825,-0.5989488472,0.0,-0.0293408469,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-Bi-Eu,6.0,ABC_hP6_194_c_d_a:Ag-Bi-Eu +mp-851112,Ba9La5Br33,-4.5475871102,-2.5645925384,0.0079503154,0.0079503154,GGA,P-1,A9B33C5_aP94_2_9i_33i_5i:Ba-Br-La,94.0,"Invalid WP multiplicities - A9B33C5_aP94_2_17i_65i_9i:Ba-Br-La, expected Ba17La9Br65 to be Ba9La5Br33" +mp-772024,Ba3LaBr9,-4.4824935277,-2.5847868435,0.0055121942,0.0055121942,GGA,Pc,A3B9C_mP52_7_6a_18a_2a:Ba-Br-La,52.0,"Invalid WP multiplicities - A3B9C_mP52_7_12a_34a_4a:Ba-Br-La, expected Ba6La2Br17 to be Ba3LaBr9" +mp-771981,BaLa2Br8,-4.68766362,-2.4862803664,0.0407958955,0.0407958955,GGA,P2/c,AB8C2_mP22_13_e_4g_g:Ba-Br-La,22.0,"Invalid WP multiplicities - AB8C2_mP22_13_e_13g_g:Ba-Br-La, expected BaLa2Br26 to be BaLa2Br8" +mp-755451,BaLa2Br8,-4.6596912141,-2.4583079605,0.0687683014,0.0687683014,GGA,I-4,AB8C2_tI44_82_ac_4g_g:Ba-Br-La,22.0,"Invalid WP multiplicities - AB8C2_tI44_82_ac_11g_g:Ba-Br-La, expected BaLa2Br22 to be BaLa2Br8" +mp-771951,Ba3La2Br12,-4.5424590697,-2.5268544232,0.0388993015,0.0388993015,GGA,P4/mbm,A3B12C2_tP34_127_ah_fgl_g:Ba-Br-La,34.0,"Invalid WP multiplicities - A3B12C2_tP34_127_2a2h_2f4g6l_g:Ba-Br-La, expected Ba3LaBr30 to be Ba3La2Br12" +mp-754494,BaLaBr5,-4.5944738143,-2.505884715,0.0446742921,0.0446742921,GGA,P2_1/m,AB5C_mP14_11_e_5e_e:Ba-Br-La,14.0,"Invalid WP multiplicities - AB5C_mP14_11_e_9e_e:Ba-Br-La, expected BaLaBr9 to be BaLaBr5" +mp-770405,BaLaBr5,-4.5660645779,-2.4774754786,0.0730835286,0.0730835286,GGA,P2_1/m,AB5C_mP14_11_e_5e_e:Ba-Br-La,14.0,"Invalid WP multiplicities - AB5C_mP14_11_e_9e_e:Ba-Br-La, expected BaLaBr9 to be BaLaBr5" +mp-770392,BaLaBr5,-4.5651341875,-2.4765450882,0.0740139189,0.0740139189,GGA,Pnma,AB5C_oP28_62_c_c2d_c:Ba-Br-La,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_2c7d_c:Ba-Br-La, expected BaLaBr16 to be BaLaBr5" +mp-772891,BaLaBr5,-4.5537721046,-2.4651830054,0.0853760018,0.0853760018,GGA,Pnma,AB5C_oP56_62_2c_2c4d_2c:Ba-Br-La,56.0,"Invalid WP multiplicities - AB5C_oP56_62_5c_8c13d_5c:Ba-Br-La, expected Ba5La5Br34 to be BaLaBr5" +mp-862291,BeGaRh2,-6.04548847,-0.6714573131,0.0,-0.027569575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Be-Ga-Rh +mp-1093935,Sr2TlGa,-0.9635293075,1.2289022115,1.6516722393,1.6516722393,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Sr-Tl,4.0,AB2C_oI8_71_a_e_b:Ga-Sr-Tl +mp-30459,ScNiBi,-5.96035028,-0.642651975,0.0,-0.1470531123,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Sc,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Sc +mp-1200071,Gd2ZrSe5,-8.7385333703,-1.966095558,0.0106192581,0.0106192581,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Gd-Se-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Gd-Se-Zr +mp-867313,LiTmPt2,-5.5813492625,-0.94959303,0.0270006858,0.0270006858,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Tm,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Tm +mp-867888,LiTm2Pt,-4.9490550375,-0.7161232792000001,0.0277007335,0.0277007335,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Li-Pt-Tm +mp-1188637,Tl5Te2Br,-3.0850177581,-0.6284107769,0.000430409,0.000430409,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Br-Te-Tl,16.0,AB2C5_tI32_140_a_h_cl:Br-Te-Tl +mp-31076,Tl2TeBr6,-2.9489566456,-1.0393164048,0.0,-0.0204327446,GGA,P4/mnc,A6BC2_tP18_128_eh_a_d:Br-Te-Tl,18.0,"Invalid WP multiplicities - A6BC2_tP18_128_e2h_a_d:Br-Te-Tl, expected Tl2TeBr10 to be Tl2TeBr6" +mp-1093883,Mn2GaMo,-4.9842075625,3.0652366167,3.1678161878,3.1678161878,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mn-Mo,4.0,AB2C_oI8_71_a_e_b:Ga-Mn-Mo +mp-5339,CsNaTe,-2.9383516817,-1.1512738287,0.0,-0.0503380342,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cs-Na-Te,6.0,ABC_tP6_129_c_a_c:Cs-Na-Te +mp-975609,Li2TlPb,-2.7239184,-0.2506344125,9.97975e-05,9.97975e-05,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pb-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Pb-Tl +mp-10849,AsPdSe,-4.95911245,-0.5141418858,0.0,-0.0544170917,GGA,P2_13,ABC_cP12_198_a_a_a:As-Pd-Se,12.0,ABC_cP12_198_a_a_a:As-Pd-Se +mp-1229014,Ca3(InGa2)2,-3.0817743317,-0.4559353106,0.0316631417,0.0316631417,GGA,P3m1,A3B4C2_hP18_156_6c_3a5b_3ab:Ca-Ga-In,18.0,A3B4C2_hP18_156_6c_3a5b_3ab:Ca-Ga-In +mp-1096268,Ca2InGa,-1.10131783,1.3464270481,1.81917937,1.81917937,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ga-In,4.0,A2BC_oI8_71_e_a_b:Ca-Ga-In +mp-31153,CaGePt,-5.1401908408,-0.9069371558,0.0,-0.0533776108,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Ge-Pt,12.0,ABC_oP12_62_c_c_c:Ca-Ge-Pt +mp-1078483,Ca2GePt2,-5.104390885,-0.949092034,0.0,-0.0516317733,GGA,C2/c,A2BC2_mC20_15_f_e_f:Ca-Ge-Pt,10.0,A2BC2_mC20_15_f_e_f:Ca-Ge-Pt +mp-1105802,CaGe2Pt,-5.0648411613,-0.7341439338,0.0,-0.0539410669,GGA,Immm,AB2C_oI32_71_eg_efn_n:Ca-Ge-Pt,16.0,AB2C_oI32_71_eg_efn_n:Ca-Ge-Pt +mp-1183528,Ca(GePt)2,-5.450403637,-0.7716191910000001,0.0,-0.0400413505,GGA,P2_1,AB2C2_mP10_4_a_2a_2a:Ca-Ge-Pt,10.0,"Invalid WP multiplicities - AB2C2_oP10_31_a_3a_3a:Ca-Ge-Pt, expected Ca(GePt)3 to be Ca(GePt)2" +mp-20238,Th(FeGe)2,-7.206696512,-0.486705236,0.0,-0.098646955,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Th,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Th +mp-1185453,Lu2TlZn,-3.4542526775,-0.2881807283,0.0206650525,0.0206650525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Tl-Zn +mp-1193382,Zn3(SnRu)2,-4.5220553179,-0.1867439436,0.0,-0.0143554252,GGA,Pnma,A2B2C3_oP28_62_2c_2c_3c:Ru-Sn-Zn,28.0,A2B2C3_oP28_62_2c_2c_3c:Ru-Sn-Zn +mp-865731,Li2HgPd,-2.74728074,-0.4219287629,0.0,-0.0161730825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Li-Pd,4.0,AB2C_cF16_225_a_c_b:Hg-Li-Pd +mp-862737,LiHgPd2,-3.4974421025,-0.3543503896,0.0,-0.050641095,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Hg-Li-Pd +mp-861896,LiHg2Pd,-2.24092749,-0.3168861383,0.0,-0.045128405,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Pd +mp-1205816,Tb2MgSi2,-5.031751835,-0.687822173,0.0,-0.0526140002,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Si-Tb,10.0,AB2C2_tP10_127_a_g_h:Mg-Si-Tb +mp-1068035,Ca2MgPd2,-3.870261562,-0.676012876,0.0,-0.0211720404,GGA,Immm,A2BC2_oI10_71_e_c_g:Ca-Mg-Pd,5.0,A2BC2_oI10_71_e_c_g:Ca-Mg-Pd +mp-1102662,CaMgPd,-3.5492599442,-0.6206726975,0.0,-0.0456255836,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Mg-Pd,12.0,ABC_oP12_62_c_c_c:Ca-Mg-Pd +mp-1097467,ScZnAg2,-1.8227300025,1.4916011779,1.7584920207,1.7584920207,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Sc-Zn,4.0,A2BC_oI8_71_e_a_b:Ag-Sc-Zn +mp-1097083,Sc2ZnAg,-2.1530112575,2.0362981983,2.370587555,2.370587555,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Sc-Zn +mp-1186953,Sc2ZnAg,-4.5111102275,-0.3218007717,0.012488585,0.012488585,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Sc-Zn +mp-867109,ScZn2Ag,-3.20559108,-0.2844629979,0.007045756,0.007045756,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Sc-Zn +mp-1181237,HfAlPt,-7.6291032122,-1.0378038189,0.0046384006,-0.0769645448,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Hf-Pt,9.0,ABC_hP9_189_f_g_bc:Al-Hf-Pt +mp-571619,HfAlPt,-7.6337416128,-1.0424422194,0.0,-0.0816029453,GGA,P-62c,ABC_hP18_190_g_h_bf:Al-Hf-Pt,18.0,ABC_hP18_190_g_h_bf:Al-Hf-Pt +mp-1078728,HfAlPt2,-6.8597776687,-0.3985197937,0.6968383956,0.6968383956,GGA,P6_3/mmc,ABC2_hP8_194_b_c_f:Al-Hf-Pt,8.0,ABC2_hP8_194_b_c_f:Al-Hf-Pt +mp-1206384,HfAlPt2,-7.3388870388,-0.8776291638,0.2177290256,0.2177290256,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-Hf-Pt,8.0,ABC2_hP8_194_c_a_f:Al-Hf-Pt +mp-1206362,HfAlPt2,-7.4779351,-1.016677225,0.0786809644,0.0786809644,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Hf-Pt,4.0,ABC2_cF16_225_a_b_c:Al-Hf-Pt +mp-1194470,Hf6Al16Pt7,-6.4610870338,-0.8690083890000001,0.0,-0.0485650736,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Pt,29.0,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Pt +mp-1079155,Hf6Al2Pt,-8.6186140278,-0.4735674544,0.0,-0.0141737244,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Al-Hf-Pt,9.0,A2B6C_hP9_189_c_fg_b:Al-Hf-Pt +mp-1183464,Ca2ZnHg,-1.7880328250000002,-0.3943768912,0.013920215,0.013920215,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-Zn +mp-22962,CsTiBr3,-4.453842156,-1.7638462803,0.0,-0.0120166761,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Ti,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Ti +mp-1093952,Ti2NiOs,-5.1471695425,3.0524524933,3.6039103275,3.6039103275,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Ni-Os-Ti +mp-867848,LaMgCd2,-2.43415031,-0.3386336412,0.0,-0.0579247875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-La-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-La-Mg +mp-1017476,LaMg6Cd,-1.9501301031,-0.0175579575,0.1133978084,0.1133978084,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-La-Mg, expected LaMg12Cd to be LaMg6Cd" +mp-1017478,LaMg6Cd,-1.9548207144,-0.0222485688,0.1087071971,0.1087071971,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-La-Mg, expected LaMg12Cd to be LaMg6Cd" +mp-1093639,LaMg2Cd,-0.71431227,1.5505519713,1.7861267638,1.7861267638,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-La-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-La-Mg +mp-1026745,LaMg14Cd,-1.772498035,-0.0060719372,0.0725743154,0.0725743154,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-La-Mg, expected LaMg18Cd to be LaMg14Cd" +mp-1026740,LaMg14Cd,-1.7664909888,-6.48909e-05,0.0785813617,0.0785813617,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-La-Mg, expected LaMg26Cd to be LaMg14Cd" +mp-1185062,La2MgCd,-3.3088801,-0.210084095,0.0072979075,0.0072979075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-La-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-La-Mg +mp-20166,Np(SiAu)2,-6.288881144,-0.2196451958,0.0,-0.071425526,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Np-Si +mp-865216,Dy2PdRu,-6.5680602175,-0.65109571,0.0,-0.0333479357,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Dy-Pd-Ru +mp-863742,Pm2RuRh,-6.9453541125000005,-0.4104053487,0.0,-0.2879001215,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Pm-Rh-Ru +mp-1019363,ThTeAs,-6.3808207467,-1.3087265639,0.0,-0.0397698233,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Te-Th,6.0,ABC_tP6_129_a_c_c:As-Te-Th +mp-1206202,Th2Te2As,-4.954782454,0.1999068843,1.6468447495,1.6468447495,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-Te-Th,5.0,AB2C2_tP5_123_a_g_g:As-Te-Th +mp-1226942,Ce(Mn2Fe)4,-8.6439228154,0.056792287,0.0756303132,0.0756303132,GGA,I4/mmm,AB4C8_tI26_139_a_i_fj:Ce-Fe-Mn,13.0,AB4C8_tI26_139_a_i_fj:Ce-Fe-Mn +mp-1184527,GdDyTl2,-6.2108934925,-0.3588446492,0.0,-0.00286618,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Gd-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Gd-Tl +mp-865300,Tm2AgIr,-5.8254683375,-0.66980308,0.0181416183,0.0181416183,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Tm +mp-977542,LiTbTl2,-3.141210025,-0.32406621,0.0,-0.0359394375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tb-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Tb-Tl +mp-974782,NdTlAg2,-3.45532798,-0.2563523335,0.0269727444,0.0269727444,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Nd-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Nd-Tl +mp-1186256,Nd2TlAg,-4.0075262125,-0.3246527087,0.0,-0.0011033975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Nd-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Nd-Tl +mp-861976,PaGaFe2,-7.546834695,-0.1761339194,0.0,-0.0431594142,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Pa,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Pa +mp-1208343,Ta6Be15Ni8,-6.3906879559,-0.4086551216,0.0,-0.0595574087,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Ni-Ta,29.0,A15B8C6_cF116_225_adf_f_e:Be-Ni-Ta +mp-971921,TbSmHg2,-2.96092928,-0.4708510388,0.0,-0.0728485106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sm-Tb,4.0,A2BC_cF16_225_c_a_b:Hg-Sm-Tb +mp-1187373,TbPr3,-4.7123577738,0.0319130675,0.0319130675,0.0319130675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Tb,8.0,A3B_hP8_194_h_c:Pr-Tb +mp-1217681,Tb2Pr,-4.6660928533,0.0171197983,0.0171197983,0.0171197983,GGA,R3m,AB2_hR9_160_a_2a:Pr-Tb,3.0,AB2_hR9_160_a_2a:Pr-Tb +mp-1217477,TbPrFe4,-7.181741755,0.0341510275,0.0704156564,0.0704156564,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Pr-Tb,6.0,A4BC_cF24_216_e_a_c:Fe-Pr-Tb +mp-1187301,Tb3Pr,-4.648782085,0.0222189288,0.0222189288,0.0222189288,GGA,I4/mmm,AB3_tI8_139_a_bd:Pr-Tb,4.0,AB3_tI8_139_a_bd:Pr-Tb +mp-1217621,Tb3Pr,-4.638233165,0.0327678487,0.0327678487,0.0327678487,GGA,P-6m2,AB3_hP4_187_a_bh:Pr-Tb,4.0,AB3_hP4_187_a_bh:Pr-Tb +mp-1187318,Tb3Pr,-4.6459656125,0.0250354012,0.0250354012,0.0250354012,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-Tb,8.0,AB3_hP8_194_c_h:Pr-Tb +mp-1207190,SmBiPd,-5.5463662467,-0.9667138883,0.0,-0.160324425,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Sm,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Sm +mp-862752,SmBiPd2,-5.4675139325,-0.7378042113000001,0.0799422829,0.0799422829,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Sm,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Sm +mp-1184270,EuHg2Bi,-4.108106275,-0.43189336,0.0291721006,0.0291721006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Eu-Hg,4.0,ABC2_cF16_225_a_b_c:Bi-Eu-Hg +mp-1183879,Eu2HgBi,-6.8920184025,-0.7274751287,0.028017686,0.028017686,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Eu-Hg,4.0,AB2C_cF16_225_a_c_b:Bi-Eu-Hg +mp-1212858,Dy5SbPt2,-5.9038606613,-0.9907104013,0.0228253137,0.0228253137,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Dy-Pt-Sb,16.0,A5B2C_tI32_140_cl_h_a:Dy-Pt-Sb +mp-16327,DySbPt,-6.2176992333,-1.2820587667,0.0,-0.2487896737,GGA,F-43m,ABC_cF12_216_a_c_b:Dy-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Dy-Pt-Sb +mp-1016200,MgGeAs2,-4.1538412413,-0.2684550625,0.0170505459,0.0170505459,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Ge-Mg,8.0,A2BC_tI16_122_d_a_b:As-Ge-Mg +mp-1208937,Sm4CdIr,-5.2488677308,-0.4762563175,0.0,-0.0236482651,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Sm,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Sm +mp-1209425,Sm23Cd4Ir7,-5.622967305,-0.5027296754,0.0047170296,0.0047170296,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ir-Sm +mp-978555,Sm2CdIr,-5.2662206375,-0.466596585,0.0919180317,0.0919180317,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ir-Sm,4.0,ABC2_cF16_225_a_b_c:Cd-Ir-Sm +mp-1187269,Tb2TlHg,-3.40357658,-0.4198126521,0.0,-0.00360452,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Tb-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Tb-Tl +mp-865329,Lu2MgTc,-5.31403413,-0.0633291212,0.0638393544,0.0638393544,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Mg-Tc,4.0,A2BC_cF16_225_c_a_b:Lu-Mg-Tc +mp-17746,HfGePd,-7.4147382672,-0.8280387022,0.0,-0.1328600187,GGA,P2_1/m,ABC_mP18_11_3e_3e_3e:Ge-Hf-Pd,18.0,"Invalid WP multiplicities - ABC_mP18_11_6e_5e_6e:Ge-Hf-Pd, expected Hf5(GePd)6 to be HfGePd" +mp-1186695,Pr2TlHg,-3.4838339325,-0.4268001771,0.007318275,0.007318275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pr-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Pr-Tl +mp-961663,SrTePd,-4.38015527,-1.0425948844,0.2601368833,0.2601368833,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sr-Te,3.0,ABC_cF12_216_c_a_b:Pd-Sr-Te +mp-1203241,Sc6Te2Pd,-6.2533375694,-0.7576366554,0.1041180352,0.1041180352,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Pd-Sc-Te,36.0,AB6C2_oP36_62_c_6c_2c:Pd-Sc-Te +mp-9549,ScFeGe,-7.0299029978,-0.5547302744,0.0,-0.0028667228,GGA,P-62m,ABC_hP9_189_f_bc_g:Fe-Ge-Sc,9.0,ABC_hP9_189_f_bc_g:Fe-Ge-Sc +mp-19739,Sc(FeGe)6,-6.8084622369000005,-0.2784035065,0.0,-0.0317687269,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Sc,13.0,A6B6C_hP13_191_i_cde_a:Fe-Ge-Sc +mp-1201682,ScFeGe2,-6.5474853279000005,-0.5353488217,0.0,-0.0370871113,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Sc,48.0,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Sc +mp-1227279,Be4AlNi,-4.371800335,-0.2912396733,0.0,-0.0578587092,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Be-Ni,6.0,AB4C_cF24_216_a_e_c:Al-Be-Ni +mp-865761,ThZnRh2,-6.5276181175,-0.6770637175,0.0033219938,0.0033219938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Th-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Th-Zn +mp-1079846,ThAlIr,-7.63848228,-0.9725261933,0.0,-0.1539907856,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ir-Th,9.0,ABC_hP9_189_f_bc_g:Al-Ir-Th +mp-1186648,PmSmZn2,-3.3232241925,-0.3260702731,0.0,-0.0423205494,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Pm-Sm-Zn +mp-865803,Ti2MoPt,-8.818682175,-0.6417403092,0.0,-0.0703923233,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Pt-Ti,4.0,ABC2_cF16_225_a_b_c:Mo-Pt-Ti +mp-866087,MgSiRh2,-6.1945721125,-0.7560186575000001,0.0,-0.0916160999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Si,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Si +mp-1217250,Ti10(GaSb)3,-6.7872469331000005,-0.510608686,0.0,-0.0162231103,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Ga-Sb-Ti,16.0,A3B3C10_hP16_189_f_g_fgh:Ga-Sb-Ti +mp-1218957,SmZnSi,-4.4233977467,-0.6221818217,0.0,-0.0738263407,GGA,P-6m2,ABC_hP3_187_a_d_e:Si-Sm-Zn,3.0,ABC_hP3_187_a_d_e:Si-Sm-Zn +mp-1212876,Er2Si5Rh3,-6.7930999325,-0.9576047945,0.0,-0.0293284173,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Er-Rh-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Er-Rh-Si +mp-1213010,ErSiRh2,-7.2124439392,-1.0320307942,0.0,-0.0008249667,GGA,P6_3/mmc,AB2C_hP24_194_cf_k_abd:Er-Rh-Si,24.0,AB2C_hP24_194_cf_k_abd:Er-Rh-Si +mp-1077251,Er2SiRh3,-7.1034885667,-0.9945420233,0.0090625611,0.0090625611,GGA,R-3m,A2B3C_hR18_166_c_d_a:Er-Rh-Si,6.0,A2B3C_hR18_166_c_d_a:Er-Rh-Si +mp-15307,ErSi3Rh5,-7.3668393837,-0.9595935781,0.0,-0.0145233762,GGA,P6_3/m,AB5C3_hP54_176_h_5h_3h:Er-Rh-Si,54.0,"Invalid WP multiplicities - AB5C3_hP54_176_h_8h_4h:Er-Rh-Si, expected Er(SiRh2)4 to be ErSi3Rh5" +mp-8535,ErSi2Rh3,-7.311236795,-1.0593570483,0.0,-0.0406324367,GGA,Imma,AB3C2_oI24_74_e_ag_i:Er-Rh-Si,12.0,"Invalid WP multiplicities - AB3C2_oI24_74_e_a2g_i:Er-Rh-Si, expected ErSi2Rh5 to be ErSi2Rh3" +mp-569601,ErSi2Rh3,-7.26386486,-1.0119851133,0.047371935,0.0067394983,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Er-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:Er-Rh-Si +mp-4289,Er2Si3Rh,-6.3889467292,-0.9263301325,0.0,-0.0436616133,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Er-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Er-Rh-Si +mp-1191705,Er2Si3Rh,-6.3816538179,-0.9190372213,0.0072929112,-0.0363687021,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Er-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Er-Rh-Si +mp-5386,Er(SiRh)2,-7.143909648,-1.114515526,0.0,-0.0973552115,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Rh-Si +mp-22114,ErSiRh,-6.8326733492,-1.0468917792,0.0,-0.0419941892,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Rh-Si,12.0,ABC_oP12_62_c_c_c:Er-Rh-Si +mp-1096122,BeCrOs2,-5.08261759,3.8791812087,3.9618493622,3.9618493622,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cr-Os,4.0,ABC2_oI8_71_a_b_e:Be-Cr-Os +mp-863722,Pm2IrRh,-7.100838155,-0.6748814812,0.0,-0.552376254,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pm-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Pm-Rh +mp-631577,BiAs2Os,-5.3023298475,0.794193495,0.9583637012,0.9583637012,GGA,F-43m,A2BC_cF16_216_ac_b_d:As-Bi-Os,4.0,A2BC_cF16_216_ac_b_d:As-Bi-Os +mp-866214,LuBr3,-4.5728712888,-2.2778624113,0.0,-1.65914254,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Lu,8.0,A3B_hP8_194_h_c:Br-Lu +mp-1210441,Na3LuBr6,-3.836472694,-2.055803056,0.0,-0.0126807645,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Br-Lu-Na,20.0,A6BC3_mP20_14_3e_a_be:Br-Lu-Na +mp-973976,LuBr,-4.2744291675,-1.2374397425,0.2811351983,0.2811351983,GGA,P6_3mc,AB_hP4_186_b_b:Br-Lu,4.0,AB_hP4_186_b_b:Br-Lu +mp-977314,NaLu3,-3.380901135,0.3404430784,0.3404430784,0.3404430784,GGA,I4/mmm,A3B_tI8_139_ad_b:Lu-Na,4.0,A3B_tI8_139_ad_b:Lu-Na +mp-1186143,NaLu3,-3.3850001475,0.3363440659,0.3363440659,0.3363440659,GGA,Fm-3m,A3B_cF16_225_ac_b:Lu-Na,4.0,A3B_cF16_225_ac_b:Lu-Na +mp-865369,Tm2OsAu,-6.4134683875,-0.5502383183,0.074656771,0.074656771,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Au-Os-Tm +mp-631334,LiTc2Pd,-6.38271764,0.5698030017,0.7886566225,0.7886566225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-Tc,4.0,ABC2_cF16_225_a_b_c:Li-Pd-Tc +mp-1183826,DyLuCd2,-3.0506859725,-0.3073067525,0.0039072375,0.0039072375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Lu,4.0,A2BC_cF16_225_c_a_b:Cd-Dy-Lu +mp-619015,CsCdCl3,-3.3138657457000003,-1.8410853233,0.0,-0.0414857917,GGA,P6_3/mmc,AB3C_hP30_194_af_hk_bf:Cd-Cl-Cs,30.0,"Invalid WP multiplicities - AB3C_hP30_194_2a2f_4h4k_2b2f:Cd-Cl-Cs, expected CsCdCl6 to be CsCdCl3" +mp-568544,CsCdCl3,-3.306393628,-1.8336132056,0.0074721177,-0.034013674,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-Cl-Cs,5.0,AB3C_cP5_221_b_c_a:Cd-Cl-Cs +mp-1219945,Pr4Ho2Mn23,-8.1215507555,0.1203386403,0.1285076742,0.1285076742,GGA,Imm2,A2B23C4_oI58_44_c_2ab4d3e_cd:Ho-Mn-Pr,29.0,"Invalid WP multiplicities - A2B23C4_oI58_44_c_2ab8d6e_c2d:Ho-Mn-Pr, expected Pr6Ho2Mn43 to be Pr4Ho2Mn23" +mp-1104676,Os(SeBr6)2,-3.1036396547,-0.6466042983,0.0460477393,0.0460477393,GGA,C2/m,A12BC2_mC30_12_2i2j_a_i:Br-Os-Se,15.0,A12BC2_mC30_12_2i2j_a_i:Br-Os-Se +mp-1225013,FeMo3As4,-7.6497121,-0.194281455,0.0779031913,0.0779031913,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:As-Fe-Mo,8.0,A4BC3_mP8_6_2a2b_a_a2b:As-Fe-Mo +mp-1225002,FeMoAs2,-7.3338951875,-0.175418155,0.0737746975,0.0737746975,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Fe-Mo,8.0,A2BC_oP8_26_ab_a_b:As-Fe-Mo +mp-582648,RbRe3Br10,-4.8655679721,-1.0195394773,0.0,-0.2040709957,GGA,C2/m,A10BC3_mC56_12_4i3j_g_ij:Br-Rb-Re,28.0,"Invalid WP multiplicities - A10BC3_mC56_12_7i11j_g_ij:Br-Rb-Re, expected RbRe3Br29 to be RbRe3Br10" +mp-1209911,NdSbIr,-6.776524675,-0.8646637242,0.0334274125,0.0334274125,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Nd-Sb,12.0,ABC_oP12_62_c_c_c:Ir-Nd-Sb +mp-1197956,Nd2Sb4Ir3,-6.5401908297,-0.6993461225000001,0.0690435711,0.0690435711,GGA,Pnma,A3B2C4_oP36_62_3c_2c_4c:Ir-Nd-Sb,36.0,A3B2C4_oP36_62_3c_2c_4c:Ir-Nd-Sb +mp-864772,LiSc2Au,-4.893402405,-0.4314666358,0.0564835179,0.0564835179,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Sc,4.0,ABC2_cF16_225_a_b_c:Au-Li-Sc +mp-862815,LiScAu2,-4.39294503,-0.6956560371,0.0,-0.0157411142,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Sc,4.0,A2BC_cF16_225_c_a_b:Au-Li-Sc +mp-972660,SmHoRh2,-6.81212762,-0.8047249338,0.0169856,0.0169856,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Sm,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Sm +mp-1220898,Pr32In3Rh19,-6.1506160506,-0.5734700343,0.0,-0.0054750136,GGA,Amm2,A3B32C19_oC108_38_bd_2a2cd4e4f_2ab2cde2f:In-Pr-Rh,54.0,"Invalid WP multiplicities - A3B32C19_oC108_38_bd_2a4cd8e15f_2ab4cde3f:In-Pr-Rh, expected Pr88(InRh9)3 to be Pr32In3Rh19" +mp-1206512,PrIn2Rh,-5.0103509038,-0.5982056325,0.0,-0.0210584681,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Pr-Rh,8.0,A2BC_oC16_63_f_c_c:In-Pr-Rh +mp-1025283,PrIn5Rh,-4.1449911357,-0.4444722393,0.0,-0.0361830671,GGA,P4/mmm,A5BC_tP7_123_ci_a_b:In-Pr-Rh,7.0,A5BC_tP7_123_ci_a_b:In-Pr-Rh +mp-20037,PrInRh,-5.6459712244,-0.6803387728,0.0,-0.0656104519,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Pr-Rh,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:In-Pr-Rh, expected Pr3In3Rh5 to be PrInRh" +mp-1079478,PrAgSb2,-4.7526540562,-0.7847879967,0.0,-0.0838873704,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Ag-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Ag-Pr-Sb +mp-1206426,Pr2AgSb3,-2.0401011267,2.0901274122,3.0403974375,3.0403974375,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-Pr-Sb +mp-10446,Sc6NiTe2,-6.3434555533,-0.7810596537000001,0.0,-0.0208473481,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Ni-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Ni-Sc-Te +mp-29769,Sc5(NiTe)2,-6.3712980064,-0.8702723762000001,0.0,-0.0106353345,GGA,Pnma,A2B5C2_oP36_62_2c_5c_2c:Ni-Sc-Te,36.0,A2B5C2_oP36_62_2c_5c_2c:Ni-Sc-Te +mp-1097573,NaTl2Pt,-2.1258800625,0.9038561642,1.0811981283,1.0811981283,GGA,Immm,ABC2_oI8_71_a_b_e:Na-Pt-Tl,4.0,ABC2_oI8_71_a_b_e:Na-Pt-Tl +mp-1102237,Lu2Ga8Fe,-4.2125926164,-0.4183480318,0.0104684538,0.0104684538,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Lu,11.0,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Lu +mp-1104317,Lu(GaFe)6,-5.9763805662,-0.3217918035,0.0,-0.0611597531,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Lu,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Lu +mp-1186469,PrPbAu2,-4.37255037,-0.6122211638,0.0,-0.035467047,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Pb-Pr +mp-1018896,PrPbAu,-4.502622465,-0.5801441900000001,0.03684617,0.03684617,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-Pb-Pr,6.0,ABC_hP6_194_c_d_a:Au-Pb-Pr +mp-1071260,LaSnAu,-4.941148775,-0.8679951217,0.0,-0.1077319552,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-La-Sn,6.0,ABC_hP6_186_b_a_b:Au-La-Sn +mp-867118,LaSnAu2,-4.6049297075,-0.7315939675,0.0,-0.0226329918,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Sn,4.0,A2BC_cF16_225_c_a_b:Au-La-Sn +mp-999474,NaHoSe2,-5.1589330675,-1.9347437878,0.0,-0.1262524006,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Na-Se,4.0,ABC2_hR12_166_a_b_c:Ho-Na-Se +mp-1101765,BiRhSe,-5.4737148225,-0.5734786633,0.0,-0.0891506006,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Rh-Se,12.0,ABC_cP12_198_a_a_a:Bi-Rh-Se +mp-865051,NaCa2Tl,-2.1479847025,-0.2238926525,0.0,-0.0011968766,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Na-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Na-Tl +mp-976236,NaCaTl2,-2.2736158725,-0.2602630058,0.0187717512,0.0187717512,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Ca-Na-Tl +mp-1025371,CdPd5Se,-4.6896560514,-0.3584831532,0.0,-0.0330255745,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:Cd-Pd-Se,7.0,AB5C_tP7_123_c_ai_b:Cd-Pd-Se +mp-1224813,GaNi3As,-5.282101018,-0.2765761245,0.0680556366,0.0680556366,GGA,P-6m2,ABC3_hP5_187_b_c_ai:As-Ga-Ni,5.0,ABC3_hP5_187_b_c_ai:As-Ga-Ni +mp-27630,CrCl3,-5.3929290012,-1.5932646387,0.000925075,-0.5831511137000001,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Cr,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Cl-Cr, expected CrCl5 to be CrCl3" +mp-1192095,CrCl3,-5.0913806437,-1.2917162813,0.3024734325,-0.2816027562,GGA,C2/m,A3B_mC48_12_3i3j_adgh:Cl-Cr,24.0,A3B_mC48_12_3i3j_acgh:Cl-Cr +mp-1193047,CrCl3,-5.0711357004,-1.2714713379,0.3227183758,-0.2613578129,GGA,C2/m,A3B_mC48_12_3i3j_adgh:Cl-Cr,24.0,A3B_mC48_12_3i6j_ac2g2h:Cl-Cr +mp-567504,CrCl3,-5.3938540762,-1.5941897137,0.0,-0.5840761887,GGA,R-3,A3B_hR24_148_f_c:Cl-Cr,8.0,A3B_hR24_148_f_c:Cl-Cr +mp-569890,CrCl3,-5.39301981,-1.5933554475,0.0008342663,-0.5832419225000001,GGA,P3_212,A3B_hP24_153_3c_2a:Cl-Cr,24.0,"Invalid WP multiplicities - A3B_hP24_153_13c_5a:Cl-Cr, expected Cr5Cl26 to be CrCl3" +mp-22857,CrCl2,-5.7968582967,-1.3468180333,0.07023949,0.07023949,GGA,Pnnm,A2B_oP6_58_g_a:Cl-Cr,6.0,A2B_oP6_58_g_a:Cl-Cr +mp-1183702,CrCl,-6.0346330225,-0.2838409575,0.7789521850000001,0.7789521850000001,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Cr,4.0,AB_hP4_186_b_b:Cl-Cr +mp-607399,Al2CrCl8,-4.7140478182,-1.8110939627,0.0050584845,0.0050584845,GGA,Pca2_1,A2B8C_oP44_29_2a_8a_a:Al-Cl-Cr,44.0,"Invalid WP multiplicities - A2B8C_oP44_29_6a_30a_a:Al-Cl-Cr, expected Al6CrCl30 to be Al2CrCl8" +mp-1220396,NbMoSe3,-7.224556576,-0.9376186594,0.0854985803,0.0854985803,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Mo-Nb-Se,10.0,ABC3_mP10_11_e_e_3e:Mo-Nb-Se +mp-1220443,NbMoSe4,-6.8767609033,-1.0549940599,0.0168681354,0.0168681354,GGA,P-6m2,ABC4_hP6_187_a_b_hi:Mo-Nb-Se,6.0,"Invalid WP multiplicities - ABC4_hP6_187_a_b_2hi:Mo-Nb-Se, expected NbMoSe6 to be NbMoSe4" +mp-1220663,Nb3MoSe8,-6.8626568492,-1.1029187616,0.011014494,0.011014494,GGA,Pm,AB3C8_mP12_6_a_a2b_4a4b:Mo-Nb-Se,12.0,AB3C8_mP12_6_a_a2b_4a4b:Mo-Nb-Se +mp-1096212,MnZnAu2,-3.15819225,1.0841884755,1.2335566465,1.2335566465,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mn-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Mn-Zn +mp-1186003,MnZnAu2,-4.38696007,-0.1445793445,0.0047888265,0.0047888265,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mn-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Mn-Zn +mp-1096586,ZrZnIr2,-4.5666077575,2.3044703925,2.9496812125,2.9177398415,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Zn-Zr,4.0,A2BC_oI8_71_e_a_b:Ir-Zn-Zr +mp-1183038,ZrZnIr2,-7.51628897,-0.64521082,0.0,-0.031941371,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Ir-Zn-Zr +mp-1217273,ThAl2Ni3,-5.9642211267,-0.5899844683000001,0.0026248903,0.0026248903,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Al-Ni-Th,6.0,A2B3C_oC12_65_e_ah_c:Al-Ni-Th +mp-1217305,ThAl2Ni3,-5.90724831,-0.5330116517,0.0595977069,0.0595977069,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Al-Ni-Th,6.0,A2B3C_hP6_191_c_g_a:Al-Ni-Th +mp-1078581,ThAlNi,-6.2547546422,-0.6082310556,0.0,-0.0707578103,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Th,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Th +mp-30182,ThAl3Ni2,-5.6895211450000005,-0.6543779617000001,0.0,-0.0588878891,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Ni-Th,6.0,A3B2C_hP6_191_g_c_a:Al-Ni-Th +mp-1192626,Th2(Al3Ni2)5,-5.2908735452,-0.5200320359,0.1114820081,0.1114820081,GGA,Immm,A15B10C2_oI54_71_ae3n_f2hn_g:Al-Ni-Th,27.0,A15B10C2_oI54_71_ae3n_f2hn_g:Al-Ni-Th +mp-862738,PuCdRh2,-7.4297394425,0.050096515,0.4186618163,0.4186618163,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pu-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Pu-Rh +mp-1100770,ThInRh2,-6.91080607,-0.68726664,0.0,-0.0027849213,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Th,4.0,AB2C_cF16_225_a_c_b:In-Rh-Th +mp-675475,Li2MnBr4,-4.2864721,-1.5447614792,0.0532885371,0.0532885371,GGA,Imm2,A4B2C_oI14_44_abc_c_a:Br-Li-Mn,7.0,A4B2C_oI14_44_abc_c_a:Br-Li-Mn +mp-28250,Li2MnBr4,-4.3249463443,-1.5832357235,0.0148142929,0.0148142929,GGA,Cmmm,A4B2C_oC14_65_gj_f_a:Br-Li-Mn,7.0,A4B2C_oC14_65_gj_f_a:Br-Li-Mn +mp-1222679,Li2MnBr4,-4.2754995093,-1.5337888885000002,0.0642611279,0.0642611279,GGA,Imma,A4B2C_oI28_74_hi_ac_b:Br-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h2i_ac_b:Br-Li-Mn, expected Li2MnBr8 to be Li2MnBr4" +mp-37537,Li2MnBr4,-2.0084525021,0.7332581186,2.331308135,2.331308135,GGA,P4_122,A4B2C_tP28_91_2d_2a_b:Br-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_tP28_91_6d_6a_b:Br-Li-Mn, expected Li6MnBr12 to be Li2MnBr4" +mp-36125,Li2MnBr4,-4.2866454643,-1.5449348435,0.0531151729,0.0531151729,GGA,I4/mmm,A4B2C_tI14_139_ce_d_a:Br-Li-Mn,7.0,A4B2C_tI14_139_ce_d_a:Br-Li-Mn +mp-865906,YbPmPd2,-5.00620591,-0.8437273544,0.0,-0.1420703429,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Pm-Yb,,A2BC_cF16_225_c_a_b:Pd-Pm-Yb +mp-865862,CeAgAu2,-4.33214996,-0.5037976704,0.0,-0.0511744504,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Ce,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Ce +mp-21379,SmInIr,-6.1043680922,-0.6681334106,0.0,-0.1258966496,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ir-Sm,9.0,ABC_hP9_189_f_bc_g:In-Ir-Sm +mp-21853,SmIn2Ir,-5.3026219162,-0.5375249725,0.0,-0.0148205312,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ir-Sm,8.0,A2BC_oC16_63_f_c_c:In-Ir-Sm +mp-1187828,YbGdCd2,-4.7340100875,-0.3686325775,0.0019306125,0.0019306125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Gd-Yb,,A2BC_cF16_225_c_a_b:Cd-Gd-Yb +mp-30167,Rb3Os2Br9,-4.03842479,-1.226025358,0.0,-0.0154146053,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Br-Os-Rb,28.0,A9B2C3_hP28_194_hk_f_bf:Br-Os-Rb +mp-974846,Rb3Os,-2.130127155,1.4121152569,1.4121152569,1.4121152569,GGA,I4/mmm,AB3_tI8_139_a_bd:Os-Rb,4.0,AB3_tI8_139_a_bd:Os-Rb +mp-1066774,Rb3Os,-2.0961745,1.4460679119,1.4460679119,1.4460679119,GGA,Pm-3m,AB3_cP4_221_a_c:Os-Rb,4.0,AB3_cP4_221_a_c:Os-Rb +mp-974843,Rb3Os,-2.133571285,1.4086711269,1.4086711269,1.4086711269,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Rb,4.0,AB3_cF16_225_a_bc:Os-Rb +mp-1186722,Pr3Nb,-5.7127975675,0.3982080088,0.3982080088,0.3982080088,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Pr,4.0,AB3_tI8_139_a_bd:Nb-Pr +mp-1209745,Pr3NbSb5,-5.9359588622,-0.9260668061,0.0610897861,0.0610897861,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Nb-Pr-Sb,18.0,AB3C5_hP18_193_b_g_dg:Nb-Pr-Sb +mp-1095970,FeCuPd2,-3.471892045,2.26035583,2.3581014683,2.3581014683,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Fe-Pd,4.0,ABC2_oI8_71_a_b_e:Cu-Fe-Pd +mp-980206,TmScRu2,-7.8131682625,-0.4738908604,0.0,-0.0059551031,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-Tm,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-Tm +mp-1219446,SbAsPd,-5.0495985958,-0.3935981108,0.0075233887,0.0075233887,GGA,P2_13,ABC_cP12_198_a_a_a:As-Pd-Sb,12.0,ABC_cP12_198_a_a_a:As-Pd-Sb +mp-541021,SbAsPd5,-5.3355425389,-0.3801812968,0.0326916926,0.0326916926,GGA,Fd-3m,AB5C_cF112_227_c_ef_d:As-Pd-Sb,28.0,AB5C_cF112_227_c_ef_d:As-Pd-Sb +mp-1186311,NdEuHg2,-4.42367733,-0.5155498394,0.0,-0.000736955,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Eu-Hg-Nd +mp-1096755,Sr2LiRh,-1.883371845,1.2796825658,1.3799881201,1.3799881201,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Rh-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Rh-Sr +mp-1187090,Sr2LiRh,-3.25400577,-0.0909513592,0.0093541951,0.0093541951,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Sr,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Sr +mp-19787,Sr(GeRu)2,-6.396641636,-0.4997707873,0.0,-0.1338196542,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Sr +mp-862334,Sc2IrRh,-8.2590744325,-1.0421543675,0.002684155,0.002684155,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Sc +mp-28616,NbTe5Pd,-5.0699603604,-0.6417151723,0.0212920731,0.0212920731,GGA,Pnma,ABC5_oP28_62_c_c_5c:Nb-Pd-Te,28.0,ABC5_oP28_62_c_c_5c:Nb-Pd-Te +mp-1208059,Tm2(Ga3Rh)3,-4.853514595,-0.6894104051000001,0.0,-0.081404968,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Tm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Tm +mp-1104655,Tm3Ga8Rh3,-4.9579064779,-0.6903923307000001,0.0215415827,0.0215415827,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Tm,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Tm +mp-865195,TmGaRh2,-6.44157254,-0.8834357435,0.0,-0.053025975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Tm +mp-999121,TbTlTe2,-4.590886595,-1.2699813367,0.0,-0.0605951633,GGA,R-3m,AB2C_hR12_166_a_c_b:Tb-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Tb-Te-Tl +mp-1224469,HoScGe,-5.6941622167,-0.5148602733000001,0.2189045006,0.2189045006,GGA,Amm2,ABC_oC36_38_abcd_abde_ef:Ge-Ho-Sc,18.0,ABC_oC36_38_abcd_abde_ef:Ge-Ho-Sc +mp-1227297,Be4FeGe,-4.7504493917,-0.0753326375,0.0639922033,0.0639922033,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Fe-Ge,6.0,A4BC_cF24_216_e_a_c:Be-Fe-Ge +mp-30381,Li2GaAu,-3.0416188375,-0.5116628985,0.0,-0.0829407463,GGA,F-43m,ABC2_cF16_216_a_c_bd:Au-Ga-Li,4.0,ABC2_cF16_216_a_c_bd:Au-Ga-Li +mp-1096393,LiGa2Au,-1.88292028,0.9268289479,1.2778114968,1.2778114968,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ga-Li,4.0,AB2C_oI8_71_a_e_b:Au-Ga-Li +mp-861900,LiGaAu2,-3.3009512725,-0.4297555502,0.0,-0.0439081531,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Li +mp-1219831,Rb(Cr5Te8)3,-6.0334380445,-0.5030483554,0.0042250064,0.0042250064,GGA,P-1,A15BC24_aP40_2_a7i_d_12i:Cr-Rb-Te,40.0,"Invalid WP multiplicities - A15BC24_aP40_2_a11i_d_20i:Cr-Rb-Te, expected RbCr23Te40 to be Rb(Cr5Te8)3" +mp-975531,RbCr5Te8,-5.8762599693,-0.5625300715,0.0,-0.0035529622,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Rb-Te,14.0,"Invalid WP multiplicities - A5BC8_mC28_12_a3i_c_7i:Cr-Rb-Te, expected Rb(CrTe2)7 to be RbCr5Te8" +mp-1219934,Rb3(Cr5Te8)4,-5.9380424084,-0.5455271319,0.0,-0.0037084913,GGA,P-1,A20B3C32_aP55_2_10i_ai_16i:Cr-Rb-Te,55.0,"Invalid WP multiplicities - A20B3C32_aP55_2_19i_a2i_32i:Cr-Rb-Te, expected Rb5(Cr19Te32)2 to be Rb3(Cr5Te8)4" +mp-1324683,Rb3(Cr5Te8)4,-3.5390599331,1.8534553433,2.3989824753,2.395273984,GGA,P-1,A20B3C32_aP55_2_10i_ai_16i:Cr-Rb-Te,55.0,"Invalid WP multiplicities - A20B3C32_aP55_2_19i_a2i_32i:Cr-Rb-Te, expected Rb5(Cr19Te32)2 to be Rb3(Cr5Te8)4" +mp-1096137,ZrGaCu2,-2.6725335525,2.2710189456,2.5989959425,2.5989959425,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Zr,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Zr +mp-1095777,Zr2GaCu,-3.11391468,2.9417613081,3.3447894946,3.3447894946,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Zr,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Zr +mp-1016222,LiMg3,-1.700687475,-0.0232467208,0.0264634383,0.0264634383,GGA,Pmm2,AB3_oP4_25_a_bcd:Li-Mg,4.0,AB3_oP4_25_a_bcd:Li-Mg +mp-1094596,LiMg3,-1.70054622,-0.0231054658,0.0266046933,0.0266046933,GGA,Imm2,AB3_oI8_44_a_bc:Li-Mg,4.0,AB3_oI8_44_a_bc:Li-Mg +mp-1094567,LiMg3,-1.6988389650000002,-0.0213982108,0.0283119483,0.0283119483,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Mg,4.0,AB3_tI8_139_a_bd:Li-Mg +mp-1094665,LiMg3,-1.696849335,-0.0194085808,0.0303015783,0.0303015783,GGA,P-6m2,AB3_hP4_187_a_bh:Li-Mg,4.0,AB3_hP4_187_a_bh:Li-Mg +mp-1094602,LiMg3,-1.70102334,-0.0235825858,0.0261275733,0.0261275733,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Mg,8.0,AB3_hP8_194_c_h:Li-Mg +mp-1094670,LiMg3,-1.69729042,-0.0198496658,0.0298604933,0.0298604933,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Mg,4.0,AB3_cP4_221_a_c:Li-Mg +mp-1094603,LiMg3,-1.7045779125,-0.0271371583,0.0225730008,0.0225730008,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Mg,4.0,AB3_cF16_225_a_bc:Li-Mg +mp-1222419,Li4Mg,-1.858538958,-0.0113446547,0.015729296,0.015729296,GGA,R-3m,A4B_hR15_166_2c_a:Li-Mg,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Li-Mg, expected Li6Mg to be Li4Mg" +mp-1222646,Li2MgHg,-1.70917697,-0.2787254329,0.0,-0.0099257337,GGA,F-43m,AB2C_cF16_216_a_bc_d:Hg-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Hg-Li-Mg +mp-973343,Li2MgHg,-1.686864785,-0.2564132479,0.022312185,0.0123864513,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Li-Mg,4.0,AB2C_cF16_225_a_c_b:Hg-Li-Mg +mp-866755,LiMg149,-1.6297007654,-0.0273630966,0.0,-0.0257597428,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Li-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j7k6l6m16n8o:Li-Mg, expected LiMg318 to be LiMg149" +mp-861626,Tc3Rh,-9.76814594,-0.1565897638,0.0,-0.10386969,GGA,P6_3/mmc,AB3_hP8_194_c_h:Rh-Tc,8.0,AB3_hP8_194_c_h:Rh-Tc +mp-1095916,Si2TcRh,-4.652138965,2.4917567537,3.1398102537,3.1398102537,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Rh-Si-Tc +mp-1264530,Si2TcRh,-4.66336425,2.4805314687,3.1285849687,3.1285849687,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Rh-Si-Tc +mp-867352,TcRh3,-8.18196788,-0.0685772413,0.0,-0.0158571675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-Tc,8.0,A3B_hP8_194_h_c:Rh-Tc +mp-1217422,TcRh,-8.967913555,-0.1054401475,0.007143355,0.007143355,GGA,P-6m2,AB_hP2_187_a_d:Rh-Tc,2.0,AB_hP2_187_a_d:Rh-Tc +mp-8842,CaSiPd,-4.9657773783,-0.7621774717,0.0021923831,0.0021923831,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ca-Pd-Si,12.0,ABC_mP12_14_e_e_e:Ca-Pd-Si +mp-793,Ca5Si3,-3.7462941187,-0.4582999325,0.0,-0.0067232938,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Si,16.0,A5B3_tI32_140_cl_ah:Ca-Si +mp-1214046,Ca3Si4,-4.3887335667,-0.4290090295,0.002104344,0.002104344,GGA,P6_3/m,A3B4_hP42_176_abci_dfhi:Ca-Si,42.0,A3B4_hP42_176_abci_dfhi:Ca-Si +mp-1205346,CaSi3,-4.6964685412,-0.1260800488,0.1254027525,0.1254027525,GGA,I4/mmm,AB3_tI32_139_de_im:Ca-Si,16.0,AB3_tI32_139_de_im:Ca-Si +mp-1191474,CaSi,-3.9623673737,-0.2469084187,0.2560571838,0.1927518482,GGA,Pnma,AB_oP24_62_3c_3c:Ca-Si,24.0,AB_oP24_62_3c_3c:Ca-Si +mp-1563,CaSi,-4.2184245575,-0.5029656025,0.0,-0.0633053355,GGA,Cmcm,AB_oC8_63_c_c:Ca-Si,4.0,AB_oC8_63_c_c:Ca-Si +mp-29013,Ca14Si19,-4.3950563888,-0.420527877,0.0062308161,0.0062308161,GGA,R-3c,A14B19_hR198_167_b2cef_2ce2f:Ca-Si,66.0,"Invalid WP multiplicities - A14B19_hR198_167_b2cef_2c2e2f:Ca-Si, expected Ca7Si11 to be Ca14Si19" +mp-567769,Ca(SiPd)2,-5.410888762,-0.76768885,0.0,-0.109022897,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Pd-Si +mp-2517,Ca2Si,-3.5799529142,-0.4344469842,0.0,-0.0270692664,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Si,12.0,A2B_oP12_62_2c_c:Ca-Si +mp-1009733,Ca2Si,-3.5664860367,-0.4209801067,0.0134668775,-0.0136023889,GGA,Fm-3m,A2B_cF12_225_c_a:Ca-Si,3.0,A2B_cF12_225_c_a:Ca-Si +mp-17185,Ca4Si3Pd4,-4.9029238891,-0.8103892664,0.0,-0.0640435386,GGA,C2/c,A4B4C3_mC44_15_2f_2f_ef:Ca-Pd-Si,22.0,"Invalid WP multiplicities - A4B4C3_mC44_15_4f_2f_2e2f:Ca-Pd-Si, expected Ca4Si3Pd2 to be Ca4Si3Pd4" +mp-862,CaSi2,-4.606765265,-0.321353285,0.0139571167,0.0139571167,GGA,I4_1/amd,AB2_tI12_141_a_e:Ca-Si,6.0,AB2_tI12_141_a_e:Ca-Si +mp-8372,CaSi2,-4.60309963,-0.31768765,0.0176227517,0.0176227517,GGA,P-3m1,AB2_hP3_164_a_d:Ca-Si,3.0,AB2_hP3_164_a_d:Ca-Si +mp-2700,CaSi2,-4.6182447533,-0.3328327733,0.0024776283,0.0024776283,GGA,R-3m,AB2_hR9_166_a_c:Ca-Si,3.0,AB2_hR9_166_a_c:Ca-Si +mp-2699,CaSi2,-4.6199535767,-0.3345415967,0.000768805,0.000768805,GGA,R-3m,AB2_hR18_166_c_2c:Ca-Si,6.0,AB2_hR18_166_c_2c:Ca-Si +mp-12892,CaSi2,-4.53900056,-0.25358858,0.0817218217,0.0817218217,GGA,P6/mmm,AB2_hP3_191_a_d:Ca-Si,3.0,AB2_hP3_191_a_d:Ca-Si +mp-631494,SrCrPd2,-5.303042315,0.1225338208,0.5993197100000001,0.5993197100000001,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cr-Pd-Sr,4.0,AB2C_cF16_216_a_bc_d:Cr-Pd-Sr +mp-1187114,Sr3Cr,-3.175809275,0.5045726825,0.5045726825,0.5045726825,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-Sr,4.0,AB3_tI8_139_a_bd:Cr-Sr +mp-980946,Sr3Cr,-3.1847831325,0.495598825,0.495598825,0.495598825,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Sr,4.0,AB3_cP4_221_a_c:Cr-Sr +mp-1221647,MnCr,-9.34067384,0.066857541,0.066857541,0.066857541,GGA,Cmmm,AB_oC4_65_a_c:Cr-Mn,2.0,AB_oC4_65_a_c:Cr-Mn +mp-1206750,CrPt,-7.985600575,-0.12351018,0.0434035467,0.0434035467,GGA,P4/mmm,AB_tP2_123_a_d:Cr-Pt,2.0,AB_tP2_123_a_d:Cr-Pt +mp-1226164,CrPt,-7.81282087,0.049269525,0.2161832517,0.2161832517,GGA,R-3m,AB_hR6_166_a_b:Cr-Pt,2.0,AB_hR6_166_a_b:Cr-Pt +mp-1221728,MnCrPt6,-7.1990578313,-0.293824996,0.0081869988,0.0081869988,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Cr-Mn-Pt,8.0,ABC6_tP8_123_a_b_cdi:Cr-Mn-Pt +mp-2515,CrPt3,-7.2169824475,-0.25037059,0.0,-0.1520953867,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Pt,4.0,AB3_cP4_221_a_c:Cr-Pt +mp-1226207,CrPt4,-6.880744358,-0.093228208,0.107068264,0.107068264,GGA,R-3m,AB4_hR15_166_a_2c:Cr-Pt,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Cr-Pt, expected CrPt6 to be CrPt4" +mp-1183705,Cr3Pt,-8.7525137213,0.0050552112,0.0885120746,0.0885120746,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cr-Pt,8.0,A3B_hP8_194_h_c:Cr-Pt +mp-446,Cr3Pt,-8.765876305,-0.0083073725,0.0751494908,0.0751494908,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Pt,8.0,A3B_cP8_223_c_a:Cr-Pt +mp-1226316,CrIr3,-9.14604525,-0.1039577475,0.1366336225,-0.0326228475,GGA,R-3m,AB3_hR12_166_a_bc:Cr-Ir,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Cr-Ir, expected CrIr5 to be CrIr3" +mp-1183749,CrIr3,-9.2810492525,-0.23896175,0.00162962,-0.16762685,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Ir,8.0,AB3_hP8_194_c_h:Cr-Ir +mp-12083,CrIr3,-9.2826788725,-0.24059137,0.0,-0.16925647,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Ir,4.0,AB3_cP4_221_a_c:Cr-Ir +mp-1096635,LiCrIr2,-4.702568815,2.6071408592000003,2.8203095308,2.8203095308,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Ir-Li,4.0,AB2C_oI8_71_a_e_b:Cr-Ir-Li +mp-1609,Cr3Ir,-9.51125867,-0.0618645225,0.0183326008,0.0183326008,GGA,Pm-3n,A3B_cP8_223_c_a:Cr-Ir,8.0,A3B_cP8_223_c_a:Cr-Ir +mp-977229,Li3Cr,-3.4448739437,0.4000800738,0.4000800738,0.4000800738,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Li,8.0,AB3_hP8_194_c_h:Cr-Li +mp-976010,Li3Cr,-3.456118565,0.3888354525,0.3888354525,0.3888354525,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Li,4.0,AB3_cP4_221_a_c:Cr-Li +mp-1185185,Li3Cr,-3.4385518025,0.406402215,0.406402215,0.406402215,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-Li,4.0,AB3_cF16_225_a_bc:Cr-Li +mp-1226229,CrIr,-9.388410625,-0.1426697999999999,0.0177244467,0.0177244467,GGA,P-6m2,AB_hP2_187_a_d:Cr-Ir,2.0,AB_hP2_187_a_d:Cr-Ir +mp-434,SrAu2,-3.4832781,-0.7375256156000001,0.0,-0.1230199712,GGA,Imma,A2B_oI12_74_h_e:Au-Sr,6.0,A2B_oI12_74_h_e:Au-Sr +mp-1831,SrAu5,-3.4594360983,-0.4496188561,0.0,-0.0808560483,GGA,P6/mmm,A5B_hP6_191_cg_a:Au-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Au-Sr, expected SrAu7 to be SrAu5" +mp-30420,SrAu,-3.2610801593,-0.7793924326,0.0,-0.0848382838,GGA,P2_1/m,AB_mP40_11_10e_10e:Au-Sr,40.0,AB_mP40_11_10e_10e:Au-Sr +mp-1187103,Sr3Au,-2.2278325375,-0.1422419475,0.3031993651,0.3031993651,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Sr,4.0,AB3_cP4_221_a_c:Au-Sr +mp-1187109,Sr3Ac,-2.2016434787,0.0957703631,0.0957703631,0.0957703631,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Sr,8.0,AB3_hP8_194_c_h:Ac-Sr +mp-979014,SrAc3,-3.439719555,0.073535064,0.073535064,0.073535064,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Sr,4.0,A3B_tI8_139_ad_b:Ac-Sr +mp-1187164,SrAc3,-3.4227350112,0.0905196077,0.0905196077,0.0905196077,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Sr,8.0,A3B_hP8_194_h_c:Ac-Sr +mp-1187150,SrAcAu2,-3.85380846,-0.7642003448,0.0,-0.1448692537,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Sr,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Sr +mp-30422,Sr7Au3,-2.6993395925,-0.5345295752,0.0,-0.0329511237,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Au-Sr,20.0,A3B7_hP20_186_c_b2c:Au-Sr +mp-30421,Sr3Au2,-2.9920201407,-0.6687712687,0.0,-0.0118102648,GGA,R-3,A2B3_hR45_148_f_acf:Au-Sr,15.0,A2B3_hR45_148_f_acf:Au-Sr +mp-1185494,LuMn3,-7.7340839,0.2676651991,0.3076071832,0.3076071832,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Mn,4.0,AB3_cP4_221_a_c:Lu-Mn +mp-1185505,LuMnRh2,-7.70064724,-0.597751852,0.006113785,0.006113785,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Lu-Mn-Rh +mp-1102182,LuMn2,-7.6103051917,0.0046885097,0.0401924956,0.0401924956,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Lu-Mn,12.0,AB2_hP12_194_f_ah:Lu-Mn +mp-30770,LuMn5,-8.2120110258,0.1764934709,0.210518124,0.210518124,GGA,P6_3mc,AB5_hP12_186_b_abc:Lu-Mn,12.0,"Invalid WP multiplicities - AB5_hP12_186_b_ab2c:Lu-Mn, expected LuMn8 to be LuMn5" +mp-1193176,Lu6Mn23,-8.2440324948,-0.0422375004,0.0,-0.0422375004,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Lu-Mn,29.0,A6B23_cF116_225_e_ad2f:Lu-Mn +mp-1187282,TaPb3,-5.018841,0.73008871,0.73008871,0.73008871,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Ta,8.0,A3B_hP8_194_h_c:Pb-Ta +mp-1187215,TaAs3,-6.1618251175,0.2969580937,0.6479984962,0.6479984962,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Ta,4.0,A3B_tI8_139_ad_b:As-Ta +mp-631686,TaAsPb2,-5.15046136,0.8350861837,1.1067753237,1.1067753237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:As-Pb-Ta,4.0,AB2C_cF16_225_a_c_b:As-Pb-Ta +mp-672222,Ta2As,-9.8492744794,-0.3910499244,0.0163537509,0.0163537509,GGA,Pnnm,AB2_oP36_58_3g_6g:As-Ta,36.0,"Invalid WP multiplicities - AB2_oP36_58_9g_21g:As-Ta, expected Ta7As3 to be Ta2As" +mp-1187214,Ta3Pb,-9.482894105,0.338600885,0.338600885,0.338600885,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Ta,4.0,AB3_cP4_221_a_c:Pb-Ta +mp-8312,Ta5As4,-9.17712872,-0.51875519,0.0,-0.0241520746,GGA,I4/m,A4B5_tI18_87_h_ah:As-Ta,9.0,A4B5_tI18_87_h_ah:As-Ta +mp-30523,Ta3As,-10.3796343191,-0.3215214953,0.0023685441,-0.028234052,GGA,C2/c,AB3_mC64_15_2f_6f:As-Ta,32.0,AB3_mC64_15_2f_6f:As-Ta +mp-1198134,Ta3As,-10.3820028631,-0.3238900394,0.0,-0.030602596,GGA,P4_2/n,AB3_tP32_86_g_3g:As-Ta,32.0,AB3_tP32_86_g_3g:As-Ta +mp-1183275,AsPb3,-3.8139134412,0.1353514625,0.1353514625,0.1353514625,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Pb,8.0,AB3_hP8_194_c_h:As-Pb +mp-12561,TaAs2,-7.526725349999999,-0.46805387,0.0,-0.1058016833,GGA,C2/m,A2B_mC12_12_2i_i:As-Ta,6.0,A2B_mC12_12_2i_i:As-Ta +mp-1936,TaAs,-8.8018262975,-0.54337828,0.0,-0.03729842,GGA,I4_1md,AB_tI8_109_a_a:As-Ta,4.0,AB_tI8_109_a_a:As-Ta +mp-1225992,CoTc,-8.64240561,0.09207276,0.133715695,0.133715695,GGA,P-6m2,AB_hP2_187_a_d:Co-Tc,2.0,AB_hP2_187_a_d:Co-Tc +mp-865733,CoTc3,-9.61002306,-0.0624644025,0.0,-0.0624644025,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Tc,8.0,AB3_hP8_194_c_h:Co-Tc +mp-1096685,Nb2CoTc,-5.5494420775,3.8684496275,4.0187282251,4.0187282251,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Co-Nb-Tc +mp-1184141,Dy3Lu,-4.55724032,0.02808744,0.02808744,0.02808744,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Lu,4.0,A3B_tI8_139_ad_b:Dy-Lu +mp-1184174,Dy3Lu,-4.57500645,0.01032131,0.01032131,0.01032131,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Lu,8.0,A3B_hP8_194_h_c:Dy-Lu +mp-1183789,DyLuTl2,-3.7569729525,-0.2937170392,0.0002847625,0.0002847625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Lu-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Lu-Tl +mp-1183846,DyLu3,-4.5397309162,0.0026786838,0.0026786838,0.0026786838,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Lu,8.0,AB3_hP8_194_c_h:Dy-Lu +mp-1093624,CrTc2Ge,-5.53863689,3.2107014138,3.2480134087,3.2480134087,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ge-Tc,4.0,ABC2_oI8_71_a_b_e:Cr-Ge-Tc +mp-1093974,CrTcGe2,-4.8683568,2.4465787313,2.4838907262,2.4838907262,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Ge-Tc,4.0,AB2C_oI8_71_a_e_b:Cr-Ge-Tc +mp-1184794,IrRh3,-7.730411005,0.0024284425,0.00943787,0.00943787,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-Rh,4.0,AB3_tI8_139_a_bd:Ir-Rh +mp-1184768,IrRh3,-7.720939575,0.0118998725,0.0189093,0.0189093,GGA,Pm-3m,AB3_cP4_221_a_c:Ir-Rh,4.0,AB3_cP4_221_a_c:Ir-Rh +mp-1223919,IrRh,-8.11435267,-0.012981645,0.00103721,0.00103721,GGA,R-3m,AB_hR6_166_a_b:Ir-Rh,2.0,AB_hR6_166_a_b:Ir-Rh +mp-864611,Nd2IrRh,-7.05706967,-0.6223104412,0.0475629327,0.0475629327,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Nd-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Nd-Rh +mp-863709,Ir3Rh,-8.490930885000001,-0.0210282825,0.0,-0.01453746,GGA,I4/mmm,A3B_tI8_139_ad_b:Ir-Rh,4.0,A3B_tI8_139_ad_b:Ir-Rh +mp-1184771,Ir3Rh,-8.481471765,-0.0115691625,0.00945912,-0.00507834,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Rh,4.0,A3B_cP4_221_c_a:Ir-Rh +mp-1196164,PrAs2Au,-5.1076002469,-0.7643441056,0.0,-0.0187694581,GGA,Pbcm,A2BC_oP32_57_2de_2c_2d:As-Au-Pr,32.0,A2BC_oP32_57_2de_2c_2d:As-Au-Pr +mp-1186786,PrAs2Au,-5.1026698972,-0.7594137559,0.0049303497,-0.0138391084,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Pr,32.0,A2BC_oC32_64_df_e_f:As-Au-Pr +mp-1341099,PrAs2Au,-5.1041438806,-0.7608877394,0.0034563663,-0.0153130919,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Pr,16.0,A2BC_oC32_64_df_e_f:As-Au-Pr +mp-1009583,PrAs,-5.78588306,-1.06587098,0.425278315,0.111727497,GGA,P4/mmm,AB_tP2_123_a_d:As-Pr,2.0,AB_tP2_123_a_d:As-Pr +mp-10622,PrAs,-6.211161375,-1.491149295,0.0,-0.313550818,GGA,Fm-3m,AB_cF8_225_a_b:As-Pr,2.0,AB_cF8_225_a_b:As-Pr +mp-2365,Pr4As3,-5.9880687986000005,-1.2593576221,0.018770345,0.018770345,GGA,I-43d,A3B4_cI28_220_a_c:As-Pr,14.0,A3B4_cI28_220_a_c:As-Pr +mp-977224,PrAs3,-5.218505445,-0.5289402025000001,0.216634445,0.216634445,GGA,Pm-3m,A3B_cP4_221_c_a:As-Pr,4.0,A3B_cP4_221_c_a:As-Pr +mp-1102408,PrAs2,-5.6865413267000005,-0.9868271383,0.0072723917,0.0072723917,GGA,P2_1/c,A2B_mP12_14_2e_e:As-Pr,12.0,A2B_mP12_14_2e_e:As-Pr +mp-984353,AsAu3,-3.4694278462,0.150763255,0.150763255,0.150763255,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Au,8.0,AB3_hP8_194_c_h:As-Au +mp-1206328,Pr2As3Au,-2.2289242617,2.2399171925,3.2465296946,3.2465296946,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Au-Pr,6.0,A3BC2_tP6_123_ag_b_g:As-Au-Pr +mp-977572,Hf2MnRh,-9.658218525,-0.5480432195,0.0,-0.0044542356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Mn-Rh,4.0,A2BC_cF16_225_c_a_b:Hf-Mn-Rh +mp-865091,HfMnRh2,-9.11915935,-0.6572043345,0.0,-0.0129456539,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:Hf-Mn-Rh +mp-2273,Ag3Sb,-3.1294698225,0.02719749,0.050899435,0.02719749,GGA,Pmm2,A3B_oP4_25_abc_d:Ag-Sb,4.0,A3B_oP4_25_abc_d:Ag-Sb +mp-16240,Ag3Sb,-3.1803692575,-0.023701945,0.0,-0.023701945,GGA,Pmmn,A3B_oP8_59_ae_b:Ag-Sb,8.0,A3B_oP8_59_ae_b:Ag-Sb +mp-1229105,Ag3Sb,-3.0930043925,0.06366292,0.087364865,0.06366292,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Sb,4.0,A3B_hP4_187_ah_b:Ag-Sb +mp-1206390,Sm2AgSb3,-1.9675570333,2.1418982989,3.0225583821,3.0225583821,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-Sb-Sm,6.0,AB3C2_tP6_123_a_bg_g:Ag-Sb-Sm +mp-1093838,La2GaIr,-3.935529335,1.4991067681,2.1928886712,2.1928886712,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Ir-La,4.0,ABC2_oI8_71_a_b_e:Ga-Ir-La +mp-1217980,TaBe4Mo,-6.5403836008,-0.2635370675,0.0085737145,0.0085737145,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Be-Mo-Ta,12.0,A4BC_hP12_164_abi_d_d:Be-Mo-Ta +mp-11271,BeMo3,-9.067436685,0.0016541137,0.1216227984,0.1216227984,GGA,Pm-3n,AB3_cP8_223_a_c:Be-Mo,8.0,AB3_cP8_223_a_c:Be-Mo +mp-30440,Be22Mo,-4.1006438652,-0.0522641635,0.019973117,0.019973117,GGA,Fd-3m,A22B_cF184_227_cdfg_a:Be-Mo,46.0,A22B_cF184_227_cdfg_a:Be-Mo +mp-1475,Be12Mo,-4.4138509185,-0.1278044192,0.0,-0.0446572947,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Mo,13.0,A12B_tI26_139_fij_a:Be-Mo +mp-1677,Be2Mo,-6.4280751058,-0.3199164925,0.0,-0.2276133008,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Mo,12.0,A2B_hP12_194_ah_f:Be-Mo +mp-1214523,Be13Mo,-3.3320692455,0.9149319941,1.0336075262,1.0336075262,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-Mo,56.0,A13B_cF224_227_ab2g_c:Be-Mo +mp-1215126,Be13Mo,-3.4262445957,0.8207566439,0.9394321761,0.9394321761,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-Mo,56.0,A13B_cF224_227_ab2g_c:Be-Mo +mp-1102936,Ta2Fe,-10.4450811933,0.2834442967,0.41537243,0.41537243,GGA,P6_3/mcm,AB2_hP12_193_d_bg:Fe-Ta,12.0,AB2_hP12_193_d_bg:Fe-Ta +mp-1103826,Ta7Fe6,-10.4768674669,-0.1826697231,0.0,-0.0065128378,GGA,R-3m,A6B7_hR39_166_h_a3c:Fe-Ta,13.0,A6B7_hR39_166_h_a3c:Fe-Ta +mp-1224446,Hf3TaFe8,-9.4128693775,-0.2887431775,0.0198479142,0.0198479142,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Fe-Hf-Ta,12.0,A8B3C_hP12_156_2b2d_a2c_a:Fe-Hf-Ta +mp-1218218,TaFe,-10.3547360458,-0.1908366258,0.0,-0.0026904292,GGA,R-3m,AB_hR78_166_a2h_b6c:Fe-Ta,26.0,"Invalid WP multiplicities - AB_hR78_166_a11h_b9c:Fe-Ta, expected Ta19Fe67 to be TaFe" +mp-1224427,HfTaFe4,-9.5372782233,-0.25476964,0.01628695,0.01628695,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Hf-Ta,12.0,A4BC_hP12_164_abi_d_d:Fe-Hf-Ta +mp-1184552,Hf3Ta,-10.28410843,0.14822775,0.14822775,0.14822775,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Ta,4.0,A3B_cP4_221_c_a:Hf-Ta +mp-1093685,HfTaFe2,-5.9075761125,3.7811761575,4.0407703525,4.0407703525,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Hf-Ta,4.0,A2BC_oI8_71_e_a_b:Fe-Hf-Ta +mp-568077,TaFe2,-9.7952609367,-0.1959875867,0.0,-0.0561489917,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Ta,12.0,A2B_hP12_194_ah_f:Fe-Ta +mp-1104956,Ta6Fe7,-10.2272237662,-0.19362267,0.0,-0.0015973609,GGA,R-3m,A7B6_hR39_166_ah_3c:Fe-Ta,13.0,A7B6_hR39_166_ah_3c:Fe-Ta +mp-1224292,HfTa,-10.7503485,0.15713483,0.15713483,0.15713483,GGA,Cmmm,AB_oC4_65_a_c:Hf-Ta,2.0,AB_oC4_65_a_c:Hf-Ta +mp-1183610,CaSm3,-3.9386962725,0.1016432987,0.1016432987,0.1016432987,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Sm,8.0,AB3_hP8_194_c_h:Ca-Sm +mp-1183908,CaSmIn2,-3.48923558,-0.4323472112,0.0445749125,0.0445749125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-In-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-In-Sm +mp-1183494,Ca3Sm,-2.57995069,0.1038957538,0.1038957538,0.1038957538,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Sm,4.0,A3B_cF16_225_ac_b:Ca-Sm +mp-998569,InGeCl3,-3.772215689,-1.188151376,0.0193294998,0.0193294998,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Ge-In,10.0,A3BC_hR30_161_b_a_a:Cl-Ge-In +mp-29688,Ge3Cl8,-3.8951165375,-1.2899004607,0.0012684966,0.0012684966,GGA,F-43c,A8B3_cF176_219_eh_abe:Cl-Ge,44.0,"Invalid WP multiplicities - A8B3_cF176_219_e2h_abe:Cl-Ge, expected Ge3Cl14 to be Ge3Cl8" +mp-1184915,In3Ge,-3.0782158012,0.14130396,0.14130396,0.14130396,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-In,8.0,AB3_hP8_194_c_h:Ge-In +mp-974310,In3Ge,-3.08983911,0.1296806512,0.1296806512,0.1296806512,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-In,4.0,AB3_cF16_225_a_bc:Ge-In +mp-30086,GeCl4,-3.823720752,-1.420285853,0.0,-0.4743588485,GGA,P2_1/c,A4B_mP20_14_4e_e:Cl-Ge,20.0,A4B_mP20_14_4e_e:Cl-Ge +mp-1184781,InGe3,-3.877221505,0.2779703188,0.2779703188,0.2779703188,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-In,4.0,A3B_tI8_139_ad_b:Ge-In +mp-975524,InGe3,-3.872198555,0.2829932687,0.2829932687,0.2829932687,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-In,4.0,A3B_cP4_221_c_a:Ge-In +mp-1184752,InGe3,-3.8552112825,0.2999805413,0.2999805413,0.2999805413,GGA,Fm-3m,A3B_cF16_225_ac_b:Ge-In,4.0,A3B_cF16_225_ac_b:Ge-In +mp-1183554,CaHoHg2,-2.3253108125,-0.5264684425,0.0,-0.00739005,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Ho,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Ho +mp-1188947,Nd3In5,-4.0184830169,-0.5106253984,0.0,-0.0347031944,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Nd,16.0,A5B3_oC32_63_cfg_ce:In-Nd +mp-1186279,Nd2InAg,-4.146296785,-0.3661631354,0.00599758,0.00599758,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Nd,4.0,ABC2_cF16_225_a_b_c:Ag-In-Nd +mp-21295,Nd2In,-4.43481924,-0.338826375,0.005393005,0.005393005,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Nd,6.0,"Invalid WP multiplicities - AB2_hP6_194_c_2ad:In-Nd, expected Nd3In to be Nd2In" +mp-21197,NdIn3,-3.718686095,-0.4628864394,0.0,-0.1224695071,GGA,Pm-3m,A3B_cP4_221_c_a:In-Nd,4.0,A3B_cP4_221_c_a:In-Nd +mp-569768,NdInAg2,-3.663148805,-0.3669130127,0.0,-0.0322290945,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-In-Nd +mp-1186302,Nd3In,-4.5235676562,-0.2595361494,0.0123139362,-0.0054163681,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Nd,8.0,AB3_hP8_194_c_h:In-Nd +mp-21483,Nd3In,-4.5358815925,-0.2718500856,0.0,-0.0177303044,GGA,Pm-3m,AB3_cP4_221_a_c:In-Nd,4.0,AB3_cP4_221_a_c:In-Nd +mp-1206423,NdIn,-4.24887355,-0.4889579687,0.0,-0.0519607232,GGA,Pm-3m,AB_cP2_221_a_b:In-Nd,2.0,AB_cP2_221_a_b:In-Nd +mp-608402,Zr2InPd2,-6.5072731455,-0.4659034235,0.1352210945,0.1352210945,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Pd-Zr,20.0,"Invalid WP multiplicities - AB2C2_tP20_136_d_j_2f3g:In-Pd-Zr, expected Zr5InPd2 to be Zr2InPd2" +mp-1215354,ZrInPd2,-6.0216028925,-0.6068158975,0.086800485,0.0200822912,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Pd-Zr,4.0,AB2C_tP4_123_a_h_b:In-Pd-Zr +mp-977475,ZrInPd2,-6.1084033775,-0.6936163825,0.0,-0.0667181938,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Zr,4.0,AB2C_cF16_225_a_c_b:In-Pd-Zr +mp-16275,CeScGe,-6.25533033,-0.625801625,0.0408793198,0.0408793198,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ce-Ge-Sc,6.0,ABC_tI12_139_e_e_c:Ce-Ge-Sc +mp-1226864,Ce3Sc,-6.009136755,0.0237973875,0.0237973875,0.0237973875,GGA,R-3m,A3B_hR12_166_ac_b:Ce-Sc,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ce-Sc, expected Ce5Sc to be Ce3Sc" +mp-1183874,Ce3Sc,-5.9033073537,0.1296267888,0.1296267888,0.1296267888,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Sc,8.0,A3B_hP8_194_h_c:Ce-Sc +mp-16421,Zr2CuSb3,-6.15840935,-0.561474075,0.0485735367,0.0485735367,GGA,P-4m2,AB3C2_tP6_115_a_bg_g:Cu-Sb-Zr,6.0,AB3C2_tP6_115_a_bg_g:Cu-Sb-Zr +mp-1188208,Zr5CuSb3,-7.3291411639,-0.7486174372000001,0.0,-0.0783593895,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Cu-Sb-Zr +mp-1195070,Zr4CuSb7,-6.2449996804,-0.6455815246000001,0.0,-0.0018831119,GGA,P4bm,AB7C4_tP48_100_c_ab2c2d_abcd:Cu-Sb-Zr,48.0,AB7C4_tP48_100_c_ab2c2d_abcd:Cu-Sb-Zr +mp-1207503,Zr2Cu3Sb,-4.8646369783,0.7223667733,1.1387536548,1.1387536548,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:Cu-Sb-Zr,6.0,A3BC2_tP6_123_ag_b_g:Cu-Sb-Zr +mp-1215759,Zr2(CuSb)3,-5.5058852875,-0.2833821637,0.174153545,0.174153545,GGA,P4mm,A3B3C2_tP8_99_ac_bc_ab:Cu-Sb-Zr,8.0,A3B3C2_tP8_99_ac_bc_ab:Cu-Sb-Zr +mp-1095502,TaCoGe,-8.2855692317,-0.4225281383,0.0,-0.1043900522,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Ta,12.0,ABC_oP12_62_c_c_c:Co-Ge-Ta +mp-17728,Ta3Ge,-10.3094094269,-0.2603192406,0.0147686622,-0.0185224144,GGA,I-4,AB3_tI32_82_g_3g:Ge-Ta,16.0,AB3_tI32_82_g_3g:Ge-Ta +mp-639805,Ta3Ge,-10.3241780891,-0.2750879028,0.0,-0.0332910766,GGA,P4_2/n,AB3_tP32_86_g_3g:Ge-Ta,32.0,"Invalid WP multiplicities - AB3_tP32_86_g_17g:Ge-Ta, expected Ta17Ge to be Ta3Ge" +mp-1217780,Ta2Co3Ge,-8.6151004783,-0.337844395,0.0,-0.0053797381,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ge-Ta,12.0,A3BC2_hP12_194_h_a_f:Co-Ge-Ta +mp-7558,TaGe2,-7.2565871044,-0.2219759911,0.0,-0.0285385301,GGA,P6_222,A2B_hP9_180_i_c:Ge-Ta,9.0,A2B_hP9_180_i_c:Ge-Ta +mp-17593,Ta5Ge3,-9.5074417038,-0.3626952394,0.0,-0.1035409101,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ge-Ta,16.0,A3B5_tI32_140_ah_cl:Ge-Ta +mp-17615,Ta5Ge3,-9.491871495,-0.3471250306,0.0155702088,-0.0879707013,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-Ta,16.0,A3B5_tI32_140_ah_bk:Ge-Ta +mp-17013,Ta5Ge3,-9.4197966213,-0.2750501569,0.0876450825,-0.0158958276,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Ta,16.0,A3B5_hP16_193_g_dg:Ge-Ta +mp-672652,Ta6Co16Ge7,-7.8070578131,-0.3159907274,0.0,-0.0261059584,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Ta,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Ge-Ta, expected Ta6Co80Ge13 to be Ta6Co16Ge7" +mp-1096219,MgGePd2,-2.88117856,1.2645893213,1.866096195,1.866096195,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Ge-Mg-Pd +mp-1185870,MgGePd2,-4.7295503975,-0.5837825162,0.0177243575,0.0177243575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Ge-Mg-Pd +mp-13503,ScZn2,-3.2971376842,-0.3464855758,0.0,-0.010541215,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Sc-Zn,12.0,AB2_hP12_194_f_ah:Sc-Zn +mp-862264,Sc2ZnTc,-6.37591735,-0.3045871587,0.0005834278,0.0005834278,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sc-Tc-Zn,4.0,A2BC_cF16_225_c_a_b:Sc-Tc-Zn +mp-1219746,ScZn6,-2.218633175,-0.2342144943,0.0,-0.0067466798,GGA,Immm,AB6_oI168_71_lmn_efghij2l2m3n4o:Sc-Zn,84.0,"Invalid WP multiplicities - AB6_oI168_71_lmn_efghij2l2m3n7o:Sc-Zn, expected ScZn8 to be ScZn6" +mp-11567,ScZn12,-1.7865295462000002,-0.1365762827,0.0,-0.0104607858,GGA,I4/mmm,AB12_tI26_139_a_fij:Sc-Zn,13.0,AB12_tI26_139_a_fij:Sc-Zn +mp-1210170,Sc13Zn58,-2.4596177324,-0.2710652289,0.0,-0.0072096837,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Sc-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Sc-Zn +mp-11566,ScZn,-4.177671855,-0.3815654975,0.0,-0.1217013156,GGA,Pm-3m,AB_cP2_221_a_b:Sc-Zn,2.0,AB_cP2_221_a_b:Sc-Zn +mp-569900,Sc3Zn17,-2.2579668314,-0.2373143971,0.0034411026,0.0034411026,GGA,Im-3,A3B17_cI160_204_g_def2gh:Sc-Zn,80.0,"Invalid WP multiplicities - A3B17_cI160_204_g_6d6e7f21g17h:Sc-Zn, expected Sc3Zn197 to be Sc3Zn17" +mp-862260,ScZn3,-2.8410587763,-0.3131337925,0.0,-0.0084829403,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Zn,8.0,AB3_hP8_194_c_h:Sc-Zn +mp-973143,ScZn3,-2.82342044,-0.2954954562,0.0176383363,0.0091553959,GGA,Fm-3m,AB3_cF16_225_a_bc:Sc-Zn,4.0,AB3_cF16_225_a_bc:Sc-Zn +mp-541106,Nb2Se9,-5.5948096982,-0.8979175728000001,0.0,-0.0759732288,GGA,P-1,A2B9_aP22_2_2i_9i:Nb-Se,22.0,A2B9_aP22_2_2i_9i:Nb-Se +mp-568347,NbSe2,-6.8478443608,-1.1501350291,0.0058692867,-0.0753381588,GGA,C222_1,AB2_oC24_20_c_2c:Nb-Se,12.0,"Invalid WP multiplicities - AB2_oC24_64_f_6f:Nb-Se, expected NbSe6 to be NbSe2" +mp-1186234,NbSe2,-6.8347572183,-1.1370478866,0.0189564292,-0.0622510163,GGA,Amm2,AB2_oC24_38_abc_4c:Nb-Se,12.0,"Invalid WP multiplicities - AB2_oC24_38_ab2c_7c:Nb-Se, expected Nb3Se7 to be NbSe2" +mp-7007,NbSe2,-6.8518750433,-1.1541657116,0.0018386042,-0.0793688413,GGA,Fmm2,AB2_oF12_42_a_c:Nb-Se,3.0,AB2_oF12_42_a_c:Nb-Se +mp-7597,NbSe2,-6.8527645367000005,-1.1550552049,0.0009491108,-0.0802583346,GGA,R3m,AB2_hR9_160_a_2a:Nb-Se,3.0,AB2_hR9_160_a_2a:Nb-Se +mp-10228,NbSe2,-6.8224507367000005,-1.1247414049,0.0312629108,-0.0499445346,GGA,P-3m1,AB2_hP3_164_a_d:Nb-Se,3.0,AB2_hP3_164_a_d:Nb-Se +mp-571270,NbSe2,-6.837836225,-1.1401268932,0.0158774225,-0.065330023,GGA,P-6m2,AB2_hP12_187_adg_2h2i:Nb-Se,12.0,"Invalid WP multiplicities - AB2_hP12_187_adg_4h3i:Nb-Se, expected Nb2Se7 to be NbSe2" +mp-643063,NbSe2,-6.8365504992,-1.1388411674,0.0171631483,-0.0640442971,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Nb-Se,12.0,AB2_hP12_187_adg_gh2i:Nb-Se +mp-672271,NbSe2,-6.4823273833,-0.7846180516,0.3713862642,0.2901788187,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Nb-Se,12.0,"Invalid WP multiplicities - AB2_hP12_187_ad2g_2g2h4i:Nb-Se, expected Nb3Se8 to be NbSe2" +mp-571133,NbSe2,-6.8537136475,-1.1560043157,0.0,-0.0812074455,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Nb-Se,12.0,"Invalid WP multiplicities - AB2_hP12_187_ad2g_g2h2i:Nb-Se, expected Nb3Se5 to be NbSe2" +mp-2207,NbSe2,-6.8526704833,-1.1549611516,0.0010431642,-0.0801642813,GGA,P6_3/mmc,AB2_hP6_194_b_f:Nb-Se,6.0,AB2_hP6_194_b_f:Nb-Se +mp-1072113,NbSe2,-6.8516067783,-1.1538974466,0.0021068692,-0.0791005763,GGA,P6_3/mmc,AB2_hP6_194_c_f:Nb-Se,6.0,AB2_hP6_194_c_f:Nb-Se +mp-1102559,NbSe2,-6.8370773683,-1.1393680366,0.0166362792,-0.0645711663,GGA,P6_3/mmc,AB2_hP12_194_ab_2f:Nb-Se,12.0,AB2_hP12_194_ab_2f:Nb-Se +mp-561,Nb3Se4,-7.4609170093,-1.1341225763,0.0,-0.0547987697,GGA,P6_3/m,A3B4_hP14_176_h_ch:Nb-Se,14.0,A3B4_hP14_176_h_ch:Nb-Se +mp-525,NbSe3,-6.1604981683,-1.0132383001,0.000818307,0.000818307,GGA,P2_1/m,AB3_mP24_11_3e_9e:Nb-Se,24.0,AB3_mP24_11_3e_9e:Nb-Se +mp-1192606,NbSe3,-5.8199906021,-0.6727307338,0.3413258733,0.3413258733,GGA,P2_1/m,AB3_mP24_11_3e_9e:Nb-Se,24.0,AB3_mP24_11_3e_9e:Nb-Se +mp-1189225,Nb3RhSe6,-6.925254436,-1.0608852504,0.0,-0.000560419,GGA,P6_322,A3BC6_hP20_182_af_c_i:Nb-Rh-Se,20.0,A3BC6_hP20_182_af_c_i:Nb-Rh-Se +mp-1173590,Nb2Se3,-7.001280231,-0.8632113284,0.2774757697,0.2774757697,GGA,Pm,A2B3_mP10_6_2a2b_3a3b:Nb-Se,10.0,A2B3_mP10_6_2a2b_3a3b:Nb-Se +mp-2330,Nb2Se3,-7.262112629,-1.1240437264,0.0166433718,0.0166433718,GGA,P2_1/m,A2B3_mP10_11_2e_3e:Nb-Se,10.0,A2B3_mP10_11_2e_3e:Nb-Se +mp-1220681,Nb2Se3,-7.214431126,-1.0763622234,0.0643248748,0.0643248748,GGA,P3m1,A2B3_hP5_156_2a_2bc:Nb-Se,5.0,A2B3_hP5_156_2a_2bc:Nb-Se +mp-15837,Nb5Se4,-8.0461431756,-0.8805686077,0.0059529786,0.0059529786,GGA,I4/m,A5B4_tI18_87_ah_h:Nb-Se,9.0,A5B4_tI18_87_ah_h:Nb-Se +mp-1078815,NbSe4,-5.716192658,-0.8992024679,0.0296855141,0.0296855141,GGA,P4/mcc,AB4_tP10_124_a_m:Nb-Se,10.0,AB4_tP10_124_a_m:Nb-Se +mp-1210280,NbSe4,-5.7211289685,-0.9041387784,0.0247492036,0.0247492036,GGA,P4/ncc,AB4_tP60_130_3c_3g:Nb-Se,60.0,"Invalid WP multiplicities - AB4_tP60_130_9c_10g:Nb-Se, expected Nb9Se40 to be NbSe4" +mp-27793,Nb2Se,-8.5693779058,-0.6698707199,0.0,-0.0082992171,GGA,C2/m,A2B_mC24_12_4i_2i:Nb-Se,12.0,"Invalid WP multiplicities - A2B_mC24_12_7i_3i:Nb-Se, expected Nb7Se3 to be Nb2Se" +mp-1186219,Nb3Se,-8.542168025,-0.0922113756,0.4101916644,0.4101916644,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nb-Se,8.0,A3B_hP8_194_h_c:Nb-Se +mp-1183984,Cu3Te,-3.8187514025,0.0414800733,0.1799695937,0.1799695937,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Te,4.0,A3B_cP4_221_c_a:Cu-Te +mp-1225676,Cu3Te2,-3.9186759,-0.2018295407,0.019753692,0.019753692,GGA,P4mm,A3B2_tP5_99_ac_ab:Cu-Te,5.0,A3B2_tP5_99_ac_ab:Cu-Te +mp-1861,Cu2Te,-3.827433525,-0.0468604472,0.1377922467,0.1377922467,GGA,P6/mmm,A2B_hP6_191_h_e:Cu-Te,6.0,A2B_hP6_191_h_e:Cu-Te +mp-623012,CuTe,-3.79701155,-0.1757552683,0.1012237725,0.05618326,GGA,Pmmn,AB_oP4_59_a_b:Cu-Te,4.0,AB_oP4_59_a_b:Cu-Te +mp-20826,CuTe,-3.8982353225,-0.2769790408,0.0,-0.0450405125,GGA,Pmmn,AB_oP4_59_a_b:Cu-Te,4.0,AB_oP4_59_a_b:Cu-Te +mp-1181516,CuTe,-3.087680255,0.5335760267,0.8105550675000001,0.7655145550000001,GGA,Pmmn,AB_oP4_59_a_b:Cu-Te,4.0,AB_oP4_59_a_b:Cu-Te +mp-1238498,CuTe,-3.78581669,-0.1645604083,0.1124186325,0.06737812,GGA,Pmmn,AB_oP4_59_a_b:Cu-Te,4.0,AB_oP4_59_a_b:Cu-Te +mp-1978391,CuTe,-3.78720218,-0.1659458983,0.1110331425,0.06599263,GGA,I4/mmm,AB_tI4_139_a_b:Cu-Te,2.0,AB_oI4_71_a_b:Cu-Te +mp-1207193,CuTe2,-3.74405966,-0.2821201744,0.0,-0.0974674806,GGA,P-3m1,AB2_hP3_164_a_d:Cu-Te,3.0,AB2_hP3_164_a_d:Cu-Te +mp-1103235,CuTe2,-3.7431696383,-0.2812301528,0.0008900217,-0.0965774589,GGA,Pa-3,AB2_cP12_205_a_c:Cu-Te,12.0,AB2_cP12_205_a_c:Cu-Te +mp-1192624,Cu7Te4,-3.8195356191,-0.0679292315,0.1335100709,0.1335100709,GGA,Cm,A7B4_mC44_8_6a4b_4a2b:Cu-Te,,A7B4_mC44_8_6a4b_4a2b:Cu-Te +mp-624307,Cu7Te4,-3.8071440073,-0.0555376197,0.1459016827,0.1459016827,GGA,P3m1,A7B4_hP22_156_ab4d_2c2d:Cu-Te,22.0,A7B4_hP22_156_ab4d_2c2d:Cu-Te +mp-8017,AlCuTe2,-4.0833482987,-0.5504997271000001,0.0,-0.0409438523,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Cu-Te,8.0,ABC2_tI16_122_a_b_d:Al-Cu-Te +mp-1066394,AlCuTe2,-3.4523293875,0.0805191842,0.6310189112,0.5900750589,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-Te,4.0,ABC2_cF16_225_a_b_c:Al-Cu-Te +mp-1094212,MgSn2,-3.2154118717,-0.008937285,0.0846754258,0.0846754258,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Sn,6.0,AB2_mC12_8_2a_4a:Mg-Sn +mp-1094239,MgSn2,-3.2281781317,-0.021703545,0.0719091658,0.0719091658,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sn,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sn, expected MgSn3 to be MgSn2" +mp-1094252,MgSn2,-3.2326156817,-0.026141095,0.0674716158,0.0674716158,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sn,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sn, expected MgSn3 to be MgSn2" +mp-1094233,MgSn2,-3.2394332667,-0.03295868,0.0606540308,0.0606540308,GGA,C2/c,AB2_mC12_15_e_f:Mg-Sn,6.0,AB2_mC12_15_e_f:Mg-Sn +mp-1094234,MgSn2,-3.192627895,0.0138466917,0.1074594025,0.1074594025,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Sn,6.0,AB2_oC12_38_2a_a3b:Mg-Sn +mp-1094235,MgSn2,-3.17968385,0.0267907367,0.1204034475,0.1204034475,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Sn, expected MgSn3 to be MgSn2" +mp-1094243,MgSn2,-3.1981264183,0.0083481683,0.1019608792,0.1019608792,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sn,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Sn, expected MgSn3 to be MgSn2" +mp-1094521,MgSn2,-3.21647095,-0.0099963633,0.0836163475,0.0836163475,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Sn,6.0,AB2_oC12_63_c_g:Mg-Sn +mp-1094213,MgSn2,-3.2225431083,-0.0160685217,0.0775441892,0.0775441892,GGA,R32,AB2_hR18_155_c_ae:Mg-Sn,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Mg-Sn, expected Mg2Sn7 to be MgSn2" +mp-1094223,MgSn2,-3.2237623117,-0.017287725,0.0763249858,0.0763249858,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Sn,6.0,AB2_hP6_189_c_ag:Mg-Sn +mp-1094241,MgSn2,-3.2337291867,-0.0272546,0.0663581108,0.0663581108,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mg-Sn,6.0,AB2_hP6_194_c_f:Mg-Sn +mp-1094988,MgSn3,-3.392121515,0.0151273887,0.0853369219,0.0853369219,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-Sn,4.0,AB3_oP4_25_a_bcd:Mg-Sn +mp-1094202,MgSn3,-3.3914379475,0.0158109562,0.0860204894,0.0860204894,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Sn,4.0,AB3_oI8_44_a_bc:Mg-Sn +mp-1094249,MgSn3,-3.4218723425,-0.0146234388,0.0555860944,0.0555860944,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Sn,4.0,AB3_tI8_139_a_bd:Mg-Sn +mp-1094725,MgSn3,-3.40766371,-0.0004148063,0.0697947269,0.0697947269,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Sn,4.0,AB3_hP4_187_a_bh:Mg-Sn +mp-978257,MgSn3,-3.4223262987,-0.015077395,0.0551321381,0.0551321381,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Sn,8.0,AB3_hP8_194_c_h:Mg-Sn +mp-1094802,MgSn3,-3.4429126475,-0.0356637438,0.0345457894,0.0345457894,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Sn,4.0,AB3_cP4_221_a_c:Mg-Sn +mp-1094230,MgSn3,-3.3867612075,0.0204876962,0.0906972294,0.0906972294,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Sn,4.0,AB3_cF16_225_a_bc:Mg-Sn +mp-1016305,Mg7Sn,-1.9438144162,-0.0423728906,0.0448711112,0.0448711112,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Sn,8.0,A7B_hP8_187_ajk_d:Mg-Sn +mp-1094539,Mg5Sn,-1.9959077583,0.0059209258,0.1131612116,0.1131612116,GGA,Cm,A5B_mC12_8_5a_a:Mg-Sn,6.0,A5B_mC12_8_5a_a:Mg-Sn +mp-1094205,Mg5Sn,-2.0324797067,-0.0306510225,0.0765892633,0.0765892633,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Sn,6.0,A5B_oC12_38_2a3b_a:Mg-Sn +mp-1094199,Mg5Sn,-2.0478260467,-0.0459973625,0.0612429233,0.0612429233,GGA,R32,A5B_hR18_155_cd_b:Mg-Sn,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Sn, expected Mg10Sn to be Mg5Sn" +mp-1094227,Mg5Sn,-1.99913051,0.0026981742,0.10993846,0.10993846,GGA,P-6m2,A5B_hP6_187_agh_d:Mg-Sn,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Mg-Sn, expected Mg9Sn to be Mg5Sn" +mp-1094189,Mg5Sn,-2.0420451783,-0.0402164942,0.0670237916,0.0670237916,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Sn,6.0,A5B_hP6_189_cg_a:Mg-Sn +mp-1094246,MgSn5,-3.5768288933,0.0311943275,0.0780006829,0.0780006829,GGA,Cm,AB5_mC12_8_a_5a:Mg-Sn,6.0,AB5_mC12_8_a_5a:Mg-Sn +mp-1094231,MgSn5,-3.54047433,0.0675488908,0.1143552462,0.1143552462,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Sn,6.0,AB5_oC12_38_a_2a3b:Mg-Sn +mp-1094229,MgSn5,-3.5862906533,0.0217325675,0.0685389229,0.0685389229,GGA,R32,AB5_hR18_155_a_ce:Mg-Sn,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Mg-Sn, expected MgSn10 to be MgSn5" +mp-1094245,MgSn5,-3.5603125817,0.0477106392,0.0945169946,0.0945169946,GGA,P-6m2,AB5_hP6_187_a_dgh:Mg-Sn,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Mg-Sn, expected MgSn9 to be MgSn5" +mp-1094240,MgSn5,-3.5910119383,0.0170112825,0.0638176379,0.0638176379,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Sn,6.0,AB5_hP6_189_a_cg:Mg-Sn +mp-1016238,Mg3Sn,-2.27263992,-0.0700369188,0.077195935,0.077195935,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Sn,4.0,A3B_oP4_25_abc_d:Mg-Sn +mp-1094519,Mg3Sn,-2.24909453,-0.0464915287,0.100741325,0.100741325,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Sn,4.0,A3B_oI8_44_ac_b:Mg-Sn +mp-1094514,Mg3Sn,-2.3005261025,-0.0979231013,0.0493097525,0.0493097525,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Sn,4.0,A3B_tI8_139_ad_b:Mg-Sn +mp-643067,Mg3Sn,-2.314395285,-0.1117922838,0.03544057,0.03544057,GGA,P6_3/m,A3B_hP8_176_h_c:Mg-Sn,24.0,A3B_hP8_194_h_c:Mg-Sn +mp-1094795,Mg3Sn,-2.2200504,-0.0174473987,0.129785455,0.129785455,GGA,P-6m2,A3B_hP4_187_ah_b:Mg-Sn,4.0,A3B_hP4_187_ah_b:Mg-Sn +mp-938875,Mg3Sn,-2.30352217,-0.1009191687,0.046313685,0.046313685,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Sn,8.0,A3B_hP8_194_h_c:Mg-Sn +mp-978294,Mg3Sn,-2.341383445,-0.1387804437,0.00845241,0.00845241,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Sn,4.0,A3B_cP4_221_c_a:Mg-Sn +mp-1094244,Mg3Sn,-2.2597806725,-0.0571776712,0.0900551825,0.0900551825,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Sn,4.0,A3B_cF16_225_ac_b:Mg-Sn +mp-1094238,MgSn,-2.87261682,-0.0676908675,0.0727281988,0.0727281988,GGA,C2,AB_mC12_5_ac_bc:Mg-Sn,6.0,AB_mC12_5_ac_bc:Mg-Sn +mp-1094208,MgSn,-2.8201506067,-0.0152246542,0.1251944121,0.1251944121,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sn,6.0,AB_mC12_8_3a_3a:Mg-Sn +mp-1094215,MgSn,-2.877088725,-0.0721627725,0.0682562938,0.0682562938,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sn,6.0,AB_mC12_8_3a_3a:Mg-Sn +mp-1094250,MgSn,-2.8489604167,-0.0440344642,0.0963846021,0.0963846021,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sn,6.0,AB_mC12_8_3a_3a:Mg-Sn +mp-1185973,MgSn,-2.9136869725,-0.10876102,0.0316580463,0.0316580463,GGA,C2/m,AB_mC8_12_i_i:Mg-Sn,4.0,AB_mC8_12_i_i:Mg-Sn +mp-1094200,MgSn,-2.8148313167,-0.0099053642,0.1305137021,0.1305137021,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sn,6.0,AB_oC12_38_2ab_a2b:Mg-Sn +mp-1094210,MgSn,-2.792080745,0.0128452075,0.1532642738,0.1532642738,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sn,6.0,AB_oC12_38_2ab_a2b:Mg-Sn +mp-1094251,MgSn,-2.8560014517,-0.0510754992,0.0893435671,0.0893435671,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Sn,6.0,AB_oC12_38_ae_bd:Mg-Sn +mp-1094524,MgSn,-2.8761254617,-0.0711995092,0.0692195571,0.0692195571,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sn,6.0,AB_oC12_38_2ab_a2b:Mg-Sn +mp-1094736,MgSn,-2.87256638,-0.0676404275,0.0727786388,0.0727786388,GGA,Pmmn,AB_oP4_59_a_b:Mg-Sn,4.0,AB_oP4_59_a_b:Mg-Sn +mp-1094801,MgSn,-2.92416287,-0.1192369175,0.0211821488,0.0211821488,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Sn,2.0,AB_tP2_123_a_d:Mg-Sn +mp-1094219,MgSn,-2.8419275267,-0.0370015742,0.1034174921,0.1034174921,GGA,P3m1,AB_hP6_156_2ab_a2b:Mg-Sn,6.0,AB_hP6_156_2ab_a2b:Mg-Sn +mp-1094753,MgSn,-2.8045539450000003,0.0003720075,0.1407910738,0.1407910738,GGA,P-3m1,AB_hP4_164_d_d:Mg-Sn,4.0,AB_hP4_164_d_d:Mg-Sn +mp-1094247,MgSn,-2.91441565,-0.1094896975,0.0309293688,0.0309293688,GGA,R-3m,AB_hR6_166_a_b:Mg-Sn,2.0,AB_hR6_166_a_b:Mg-Sn +mp-1094800,MgSn,-2.88336854,-0.0784425875,0.0619764788,0.0619764788,GGA,P-6m2,AB_hP2_187_a_d:Mg-Sn,2.0,AB_hP2_187_a_d:Mg-Sn +mp-1094669,MgSn,-2.88935664,-0.0844306875,0.0559883788,0.0559883788,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Sn,2.0,AB_cP2_221_a_b:Mg-Sn +mp-1094232,MgSn,-2.70998575,0.0949402025,0.2353592688,0.2353592688,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Sn,2.0,AB_cF8_225_a_b:Mg-Sn +mp-1185637,Mg149Sn,-1.6467965507,-0.0304545554,0.0,-0.0267100469,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Sn,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-Sn, expected Mg309Sn to be Mg149Sn" +mp-1072345,TmMgSn,-3.8854548517,-0.5235590756,0.0,-0.0634224684,GGA,I4/mmm,ABC_tI12_139_c_e_e:Mg-Sn-Tm,6.0,ABC_tI12_139_c_e_e:Mg-Sn-Tm +mp-31503,Mg9Sn5,-2.6359948861,-0.1752534771,0.0052853223,0.0052853223,GGA,R3,A9B5_hR84_146_6b_4a2b:Mg-Sn,28.0,"Invalid WP multiplicities - A9B5_hR84_146_7b_4a2b:Mg-Sn, expected Mg21Sn10 to be Mg9Sn5" +mp-2426125,Mg9Sn5,-2.6391115311,-0.1783701221,0.0021686773,0.0021686773,GGA,R-3,A9B5_hR84_148_3f_2cf:Mg-Sn,28.0,"Invalid WP multiplicities - A9B5_hR84_148_4f_2cf:Mg-Sn, expected Mg12Sn5 to be Mg9Sn5" +mp-1094236,Mg2Sn,-2.4214614133,-0.018084095,0.1691413267,0.1514883208,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Sn,6.0,A2B_mC12_8_4a_2a:Mg-Sn +mp-1094211,Mg2Sn,-2.4295407017,-0.0261633833,0.1610620383,0.1434090325,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094221,Mg2Sn,-2.4802320717,-0.0768547533,0.1103706683,0.0927176625,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094543,Mg2Sn,-2.4985611183,-0.0951838,0.0920416217,0.0743886158,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094529,Mg2Sn,-2.4688415433,-0.065464225,0.1217611967,0.1041081908,GGA,C2/c,A2B_mC12_15_f_e:Mg-Sn,6.0,A2B_mC12_15_f_e:Mg-Sn +mp-1094525,Mg2Sn,-2.4377556033,-0.034378285,0.1528471367,0.1351941308,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Sn,6.0,A2B_oC12_38_a3b_2a:Mg-Sn +mp-1094196,Mg2Sn,-2.470674595,-0.0672972767,0.119928145,0.1022751392,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Sn,6.0,A2B_oC12_63_g_c:Mg-Sn +mp-1094209,Mg2Sn,-2.4963850333,-0.093007715,0.0942177067,0.0765647008,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094518,Mg2Sn,-2.4207145383,-0.01733722,0.1698882017,0.1522351958,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094535,Mg2Sn,-2.4386618333,-0.035284515,0.1519409067,0.1342879008,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094242,Mg2Sn,-2.4614032167,-0.0580258983,0.1291995233,0.1115465175,GGA,R32,A2B_hR18_155_ae_c:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_hR18_155_a2e_c:Mg-Sn, expected Mg7Sn2 to be Mg2Sn" +mp-1094228,Mg2Sn,-2.403920995,-0.0005436767,0.186681745,0.1690287392,GGA,P-3m1,A2B_hP6_164_2d_d:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094197,Mg2Sn,-2.42662999,-0.0232526717,0.16397275,0.1463197442,GGA,P-6m2,A2B_hP6_187_adg_h:Mg-Sn,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Mg-Sn, expected Mg3Sn to be Mg2Sn" +mp-1094517,Mg2Sn,-2.4692296983,-0.06585238,0.1213730417,0.1037200358,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Sn,6.0,A2B_hP6_189_ag_c:Mg-Sn +mp-1018795,Mg2Sn,-2.5074718033,-0.104094485,0.0831309367,0.0654779308,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Mg-Sn,6.0,A2B_hP6_194_ac_d:Mg-Sn +mp-1094192,Mg2Sn,-2.4318649933,-0.028487675,0.1587377467,0.1410847408,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Sn,6.0,A2B_hP6_194_f_c:Mg-Sn +mp-2343,Mg2Sn,-2.59060274,-0.1872254217,0.0,-0.0176530058,GGA,Fm-3m,A2B_cF12_225_c_a:Mg-Sn,3.0,A2B_cF12_225_c_a:Mg-Sn +mp-570543,Mg2Sn,-2.370670335,0.0327069833,0.219932405,0.2022793992,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Sn,6.0,A2B_cF24_227_c_b:Mg-Sn +mp-1023593,Mg15Sn,-1.7702344837,-0.0193736959,0.0378758799,0.0378758799,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Sn,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Sn, expected Mg27Sn to be Mg15Sn" +mp-1213865,Ce3Al11,-4.56939997,-0.3550712846,0.0,-0.0009922368,GGA,Immm,A11B3_oI28_71_bf2n_ag:Al-Ce,14.0,A11B3_oI28_71_bf2n_ag:Al-Ce +mp-1112,CeCo2,-6.9687891533,-0.2522142383,0.0,-0.0890577043,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Co,6.0,AB2_cF24_227_a_d:Ce-Co +mp-1105076,CeAl4,-4.4756427613,-0.2925642663,0.0388355993,0.0388355993,GGA,Imm2,A4B_oI30_44_2a2b4c_ac:Al-Ce,15.0,A4B_oI30_44_2a2b4c_ac:Al-Ce +mp-2289,CeAl4,-4.478770808,-0.295692313,0.0357075527,0.0357075527,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Ce,5.0,A4B_tI10_139_de_a:Al-Ce +mp-20439,CeAl,-5.1729301288,-0.3335976362,0.0145377812,0.0145377812,GGA,Cmcm,AB_oC16_63_ac_g:Al-Ce,8.0,AB_oC16_63_ac_g:Al-Ce +mp-10879,CeAl,-5.08319684,-0.2438643475,0.10427107,0.10427107,GGA,Pm-3m,AB_cP2_221_a_b:Al-Ce,2.0,AB_cP2_221_a_b:Al-Ce +mp-1188550,Ce2Co7,-6.9890069872,-0.1418511122,0.028873564,0.028873564,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Ce-Co,18.0,A2B7_hR54_166_2c_a2cdh:Ce-Co +mp-1196386,Ce2Co7,-6.9802299653,-0.1330740903,0.0376505859,0.0376505859,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:Ce-Co,36.0,A2B7_hP36_194_2f_aefhk:Ce-Co +mp-570872,CeCo3,-6.9980617358,-0.1835511008,0.0075459659,0.0075459659,GGA,R-3m,AB3_hR36_166_ac_bch:Ce-Co,12.0,"Invalid WP multiplicities - AB3_hR36_166_ac_b2c3h:Ce-Co, expected Ce3Co23 to be CeCo3" +mp-571542,CeAlCo,-6.11757784,-0.5219169133,0.0,-0.0559865677,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Ce-Co,6.0,ABC_mC12_12_i_i_i:Al-Ce-Co +mp-1226824,CeAlCo,-5.9836272542,-0.3879663275,0.1339505858,0.0779640181,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Ce-Co,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Ce-Co, expected Ce3(AlCo)2 to be CeAlCo" +mp-542327,Ce5Co19,-7.0203825608,-0.1569040658,0.0036344151,0.0036344151,GGA,R-3m,A5B19_hR72_166_a2c_b3c2h:Ce-Co,24.0,A5B19_hR72_166_a2c_b3c2h:Ce-Co +mp-1214447,Ce3Al4Co3,-5.931936696,-0.5212842790000001,0.0009281423,0.0009281423,GGA,Pnma,A4B3C3_oP40_62_4c_3c_3c:Al-Ce-Co,40.0,A4B3C3_oP40_62_4c_3c_3c:Al-Ce-Co +mp-1227640,Ce4AlCo25,-6.912978764,-0.0734495198,0.0723322384,0.0723322384,GGA,Cmmm,AB4C25_oC60_65_c_2h_ae2g5h2p:Al-Ce-Co,30.0,"Invalid WP multiplicities - AB4C25_oC60_65_c_3h_a2e3g9h7p:Al-Ce-Co, expected Ce6AlCo57 to be Ce4AlCo25" +mp-16484,Ce2Al2Co15,-6.79863028,-0.1679936013,0.0440538464,0.0440538464,GGA,R-3m,A2B2C15_hR57_166_c_c_dfh:Al-Ce-Co,19.0,"Invalid WP multiplicities - A2B2C15_hR57_166_c_c_d3f3h:Al-Ce-Co, expected Ce2Al2Co39 to be Ce2Al2Co15" +mp-2088,CeAl2,-4.938927495,-0.4641805567,0.0,-0.0775865296,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Ce,6.0,A2B_cF24_227_c_b:Al-Ce +mp-1226649,CeAlCo4,-6.6209158117,-0.2689264508,0.0622971028,0.0622971028,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Ce-Co,6.0,ABC4_oC12_65_a_c_eh:Al-Ce-Co +mp-1226661,CeAlCo4,-6.58492558,-0.2329362192,0.0982873345,0.0982873345,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Ce-Co,6.0,ABC4_hP6_187_a_c_ek:Al-Ce-Co +mp-764,CeCo5,-7.0221335683,-0.1096872133,0.0202926818,0.0202926818,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Co,6.0,AB5_hP6_191_a_cg:Ce-Co +mp-567305,CeAl3,-4.7055463837,-0.4130922225,0.0,-0.0252881563,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Ce,8.0,A3B_hP8_194_h_c:Al-Ce +mp-570987,Ce3Al,-5.5493550475,-0.1631442237,0.010923485,0.010923485,GGA,P2_1/m,AB3_mP16_11_2e_6e:Al-Ce,16.0,"Invalid WP multiplicities - AB3_mP16_11_4e_10e:Al-Ce, expected Ce5Al2 to be Ce3Al" +mp-21393,Ce3Al,-5.55057878,-0.1643679563,0.0096997525,0.0096997525,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Ce,8.0,AB3_hP8_194_c_h:Al-Ce +mp-2413,Ce3Al,-5.54699414,-0.1607833162,0.0132843925,0.0132843925,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Ce,4.0,AB3_cP4_221_a_c:Al-Ce +mp-1105572,Ce2Co17,-7.0695557068,-0.0849461897,0.0,-0.0052995882,GGA,R-3m,A2B17_hR57_166_c_cdfh:Ce-Co,19.0,A2B17_hR57_166_c_cdfh:Ce-Co +mp-2216,Ce2Co17,-6.9152102258,0.0693992913,0.1543454811,0.1490458929,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Ce-Co,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_fgj2k:Ce-Co, expected Ce2Co23 to be Ce2Co17" +mp-13504,CeAl4Co,-5.1647421617,-0.4941237833,0.0,-0.001142951,GGA,Pmma,A4BC_oP12_51_afj_e_e:Al-Ce-Co,12.0,A4BC_oP12_51_afj_e_e:Al-Ce-Co +mp-16966,Ce(Al10Co)2,-4.3050312743,-0.1719338246,0.0588364319,0.0588364319,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Ce-Co,46.0,A20BC2_cF184_227_cfg_a_d:Al-Ce-Co +mp-1194542,Ce(Al4Co)2,-5.0293036582,-0.4734553505,0.0,-0.0299354902,GGA,Pbam,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ce-Co,44.0,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ce-Co +mp-1215236,ZrTi,-8.133260975,0.0883353483,0.0883353483,0.0883353483,GGA,P4/mmm,AB_tP2_123_a_d:Ti-Zr,2.0,AB_tP2_123_a_d:Ti-Zr +mp-1215200,ZrTi,-8.14196025,0.0796360733,0.0796360733,0.0796360733,GGA,P-6m2,AB_hP2_187_a_d:Ti-Zr,2.0,AB_hP2_187_a_d:Ti-Zr +mp-1183046,ZrTi3,-8.0272912575,0.0312529125,0.0312529125,0.0312529125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ti-Zr,8.0,A3B_hP8_194_h_c:Ti-Zr +mp-1008568,ZrTi2,-8.08030276,0.0325921278,0.0325921278,0.0325921278,GGA,P6/mmm,A2B_hP3_191_c_b:Ti-Zr,3.0,A2B_hP3_191_c_b:Ti-Zr +mp-1080389,ZrTi2,-7.9576468767,0.1552480111,0.1552480111,0.1552480111,GGA,Fd-3m,A2B_cF24_227_c_b:Ti-Zr,6.0,A2B_cF24_227_c_b:Ti-Zr +mp-1215246,ZrTiRh,-8.4646569417,-0.5288234361,0.05874068,0.05874068,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Rh-Ti-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Rh-Ti-Zr, expected Zr3(TiRh)2 to be ZrTiRh" +mp-1078078,Co(SiSe2)2,-4.9273537686,-0.3641252306,0.3421971909,0.3421971909,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Co-Se-Si,7.0,AB4C2_mC14_12_a_2i_i:Co-Se-Si +mp-1250007,SiSe2,-4.8996655567000005,-0.7606185616000001,0.0050563733,-0.7606185616000001,GGA,P2_1/c,A2B_mP24_14_4e_2e:Se-Si,24.0,A2B_mP24_14_4e_2e:Se-Si +mp-568264,SiSe2,-4.90472193,-0.7656749349,0.0,-0.7656749349,GGA,Ibam,A2B_oI12_72_j_a:Se-Si,6.0,A2B_oI12_72_j_a:Se-Si +mp-568313,SiSe2,-4.20540182,-0.0663548249,0.69932011,-0.0663548249,GGA,Ibam,A2B_oI12_72_j_c:Se-Si,6.0,A2B_oI12_72_j_c:Se-Si +mp-1179443,SiSe2,-4.899011705,-0.7599647099,0.005710225,-0.7599647099,GGA,Ibam,A2B_oI12_72_j_a:Se-Si,6.0,A2B_oI12_72_j_a:Se-Si +mp-22142,SiSe2,-4.9008914517,-0.7618444566,0.0038304783,-0.7618444566,GGA,I4/mcm,A2B_tI12_140_h_b:Se-Si,6.0,A2B_tI12_140_h_b:Se-Si +mp-978501,Si3Se,-4.391815415,0.5511509769,0.8382790775000001,0.8382790775000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Se-Si,4.0,AB3_cF16_225_a_bc:Se-Si +mp-1180041,PdCl2,-3.5664308,-0.6074457567,0.2827505183,-0.6074457567,GGA,P-1,A2B_aP18_2_6i_3i:Cl-Pd,18.0,A2B_aP18_2_12i_6i:Cl-Pd +mp-1018888,PdCl2,-3.8190664833,-0.86008144,0.030114835,-0.86008144,GGA,P2/m,A2B_mP6_10_mn_ce:Cl-Pd,6.0,A2B_mP6_10_mn_ae:Cl-Pd +mp-1018891,PdCl2,-3.8356560683,-0.876671025,0.01352525,-0.876671025,GGA,P2_1/c,A2B_mP6_14_e_a:Cl-Pd,6.0,A2B_mP6_14_e_a:Cl-Pd +mp-569008,PdCl2,-3.8190111,-0.8600260567,0.0301702183,-0.8600260567,GGA,Pnnm,A2B_oP6_58_g_a:Cl-Pd,6.0,A2B_oP6_58_g_a:Cl-Pd +mp-29487,PdCl2,-3.8491813183,-0.8901962750000001,0.0,-0.8901962750000001,GGA,R-3,A2B_hR54_148_2f_f:Cl-Pd,18.0,A2B_hR54_148_2f_f:Cl-Pd +mp-30102,BaPdCl4,-4.3255672017,-1.9100666367,0.0191507908,0.0191507908,GGA,Pbcn,AB4C_oP24_60_c_2d_a:Ba-Cl-Pd,24.0,AB4C_oP24_60_c_2d_a:Ba-Cl-Pd +mp-27637,NiBr2,-3.7696903633,-0.8076259167000001,0.0,-0.8076259167000001,GGA,R-3m,A2B_hR9_166_c_a:Br-Ni,3.0,A2B_hR9_166_c_a:Br-Ni +mp-1173456,NiBr2,-3.2868078067,-0.32474336,0.4828825567,-0.32474336,GGA,R-3m,A2B_hR9_166_c_a:Br-Ni,3.0,A2B_hR9_166_c_a:Br-Ni +mp-1080570,CsNiBr3,-3.615885824,-1.3489610156,0.0,-0.026446154,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Ni,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Ni +mp-862586,Re3Pd,-10.6846761212,-0.05631028,0.0,-0.05631028,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pd-Re,8.0,AB3_hP8_194_c_h:Pd-Re +mp-1095783,Zr2RePd,-5.486577015,3.1933755487,3.6862471743,3.6862471743,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Re-Zr,4.0,ABC2_oI8_71_a_b_e:Pd-Re-Zr +mp-1185215,Li3Fe,-3.143534945,0.4056625075,0.4056625075,0.4056625075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Li,8.0,AB3_hP8_194_c_h:Fe-Li +mp-1211043,LiFeBr4,-4.0267114075,-1.2615351747,0.0,-0.084546725,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Br-Fe-Li,24.0,A4BC_mP24_14_4e_e_e:Br-Fe-Li +mp-22880,FeBr2,-4.7113056067,-0.8526129833,0.0,-0.1178966667,GGA,P-3m1,A2B_hP3_164_d_a:Br-Fe,3.0,A2B_hP3_164_d_a:Br-Fe +mp-1211097,LiFe,-4.909887325,0.2795847133,0.2795847133,0.2795847133,GGA,Cmcm,AB_oC8_63_c_a:Fe-Li,4.0,AB_oC8_63_c_a:Fe-Li +mp-976280,LiBr,-3.608829235,-1.8778536367,0.0,-1.8778536367,GGA,P6_3mc,AB_hP4_186_b_b:Br-Li,4.0,AB_hP4_186_b_b:Br-Li +mp-23259,LiBr,-3.583331875,-1.8523562767,0.02549736,-1.8523562767,GGA,Fm-3m,AB_cF8_225_a_b:Br-Li,2.0,AB_cF8_225_a_b:Br-Li +mp-22967,Li2FeBr4,-4.0525770543,-1.409722731,0.0287420543,0.0287420543,GGA,Cmmm,A4BC2_oC14_65_gj_a_f:Br-Fe-Li,7.0,A4BC2_oC14_65_gj_a_f:Br-Fe-Li +mp-35039,Li2FeBr4,-4.0511616114,-1.4083072881,0.0301574971,0.0301574971,GGA,Imma,A4BC2_oI28_74_hi_a_ce:Br-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_3h4i_c_a2e:Br-Fe-Li, expected Li3FeBr14 to be Li2FeBr4" +mp-23232,FeBr3,-4.1088324062,-0.8265558562,0.0,-0.1870961187,GGA,R-3,A3B_hR24_148_f_c:Br-Fe,8.0,A3B_hR24_148_f_c:Br-Fe +mp-1210607,Lu5Bi3,-4.8571525578,-0.5913750591,0.0,-0.0314866753,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Lu,32.0,A3B5_oP32_62_cd_3cd:Bi-Lu +mp-1206992,LuBiPt,-5.82864485,-1.0177871933,0.0,-0.1261283317,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Lu-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Lu-Pt +mp-1185520,LuBi3,-4.276943665,-0.2663391875,0.106919735,0.106919735,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Lu,8.0,A3B_hP8_194_h_c:Bi-Lu +mp-977275,LuBi3,-4.2687124175,-0.25810794,0.1151509825,0.1151509825,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Lu,4.0,A3B_cP4_221_c_a:Bi-Lu +mp-568059,LuBi,-4.92723767,-0.7465178450000001,0.0,-0.2634880765,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Lu,2.0,AB_cF8_225_a_b:Bi-Lu +mp-1184679,HgBi3,-2.8875657,0.0687212387,0.0687212387,0.0687212387,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Hg,4.0,A3B_tI8_139_ad_b:Bi-Hg +mp-981390,HgBi3,-2.86766003,0.0886269087,0.0886269087,0.0886269087,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Hg,4.0,A3B_cP4_221_c_a:Bi-Hg +mp-1093597,InHg2Bi,-1.022311185,0.7775722125000001,0.7905408688000001,0.7905408688000001,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Hg-In,4.0,AB2C_oI8_71_a_e_b:Bi-Hg-In +mp-1096342,In2HgBi,-1.6600020675,0.7518821712,0.7648508275,0.7648508275,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-In,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-In +mp-1184697,Hg3Bi,-1.06133295,0.1265496062,0.1265496062,0.1265496062,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Hg,8.0,AB3_hP8_194_c_h:Bi-Hg +mp-981387,Hg3Bi,-1.0844846,0.1033979563,0.1033979563,0.1033979563,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Hg,4.0,AB3_cP4_221_a_c:Bi-Hg +mp-1184453,Gd3Er,-11.6676714375,0.031349945,0.031349945,0.031349945,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Gd,4.0,AB3_cP4_221_a_c:Er-Gd +mp-1184762,GdErIn2,-6.491669015,-0.4548668875,0.0,-0.00515514,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-In,4.0,ABC2_cF16_225_a_b_c:Er-Gd-In +mp-975612,GdEr3,-6.9432009688,0.0016186987,0.0016186987,0.0016186987,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Gd,8.0,A3B_hP8_194_h_c:Er-Gd +mp-862824,PaInPt2,-6.8842543175,-0.7821005600000001,0.0,-0.0599274075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pa-Pt,4.0,ABC2_cF16_225_a_b_c:In-Pa-Pt +mp-861987,PaIn3,-4.5584574175,-0.116028455,0.0,-0.116028455,GGA,Pm-3m,A3B_cP4_221_c_a:In-Pa,4.0,A3B_cP4_221_c_a:In-Pa +mp-945,NiPt,-6.020750925,-0.095115925,0.0,-0.0287302562,GGA,P4/mmm,AB_tP2_123_a_d:Ni-Pt,2.0,AB_tP2_123_a_d:Ni-Pt +mp-1220052,NiPt,-5.98072897,-0.05509397,0.040021955,0.0112916988,GGA,R-3m,AB_hR6_166_a_b:Ni-Pt,2.0,AB_hR6_166_a_b:Ni-Pt +mp-1226004,CoNiPt2,-6.352762955,-0.0950826763,0.0,-0.004671,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Co-Ni-Pt,4.0,ABC2_tP4_123_a_b_h:Co-Ni-Pt +mp-1226094,CoNiPt2,-6.2462939975,0.0113862813,0.1064689575,0.1017979575,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Ni-Pt,4.0,ABC2_hR12_160_a_a_2a:Co-Ni-Pt +mp-1100766,Ni3Pt,-5.921802325,-0.068916485,0.0004290425,-0.0213585225,GGA,I4/mmm,A3B_tI8_139_ad_b:Ni-Pt,4.0,A3B_tI8_139_ad_b:Ni-Pt +mp-12798,Ni3Pt,-5.9222313675,-0.0693455275,0.0,-0.021787565,GGA,Pm-3m,A3B_cP4_221_c_a:Ni-Pt,4.0,A3B_cP4_221_c_a:Ni-Pt +mp-1186117,NiPt3,-6.06180997,-0.06342581,0.0,-0.0158678475,GGA,Pm-3m,AB3_cP4_221_a_c:Ni-Pt,4.0,AB3_cP4_221_a_c:Ni-Pt +mp-1018829,NpTe2,-7.3520955217,-0.940631699,0.0,-0.034998935,GGA,P4/nmm,AB2_tP6_129_c_ac:Np-Te,6.0,AB2_tP6_129_c_ac:Np-Te +mp-1830,NpTe,-8.806698805,-0.7611560177000001,0.0742643527,0.0742643527,GGA,Pm-3m,AB_cP2_221_a_b:Np-Te,2.0,AB_cP2_221_a_b:Np-Te +mp-807,NpTe,-8.836483975,-0.7909411877,0.0444791827,0.0444791827,GGA,Fm-3m,AB_cF8_225_a_b:Np-Te,2.0,AB_cF8_225_a_b:Np-Te +mp-1195735,Te3As2,-3.7519089992,-0.0022781012,0.0126248928,-0.0022781012,GGA,P2_1/m,A2B3_mP40_11_2e3f_a3e4f:As-Te,40.0,A2B3_mP40_11_2e3f_a3e4f:As-Te +mp-484,Te3As2,-3.764533892,-0.014902994,0.0,-0.014902994,GGA,C2/m,A2B3_mC20_12_2i_3i:As-Te,10.0,A2B3_mC20_12_2i_3i:As-Te +mp-9897,Te3As2,-3.7551302,-0.005499302,0.009403692,-0.005499302,GGA,R-3m,A2B3_hR15_166_c_ac:As-Te,5.0,A2B3_hR15_166_c_ac:As-Te +mp-1217320,TeAs2,-3.947278535,0.2065690328,0.2148484739,0.2148484739,GGA,I4_1/amd,A2B_tI12_141_c_b:As-Te,6.0,A2B_tI12_141_c_b:As-Te +mp-1173507,Np2Te3,-7.6254090225,-0.560313614,0.390212192,0.390212192,GGA,I-42d,A2B3_tI80_122_cde_3e:Np-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d6e_16e:Np-Te, expected Np19Te32 to be Np2Te3" +mp-1212578,Np2Te2As,-6.2455760080000005,1.1226819028,1.9787975687,1.9787975687,GGA,P-1,AB2C2_aP5_2_a_i_i:As-Np-Te,5.0,AB2C2_aP5_2_a_i_i:As-Np-Te +mp-568285,Np3As4,-8.85833697,-0.6469351609,0.0,-0.0079707307,GGA,I-43d,A4B3_cI28_220_c_a:As-Np,14.0,A4B3_cI28_220_c_a:As-Np +mp-20895,NpAs,-9.350616495,-0.5471674519,0.146774565,0.0189008139,GGA,Pm-3m,AB_cP2_221_a_b:As-Np,2.0,AB_cP2_221_a_b:As-Np +mp-2186,NpAs,-9.49739106,-0.6939420169,0.0,-0.1278737511,GGA,Fm-3m,AB_cF8_225_a_b:As-Np,2.0,AB_cF8_225_a_b:As-Np +mp-19867,NpAs2,-7.987666478299999,-0.5656609813,0.0,-0.0624891894,GGA,P4/nmm,A2B_tP6_129_ac_c:As-Np,6.0,A2B_tP6_129_ac_c:As-Np +mp-1211390,Te7As6,-2.8175977762,1.0253138918,1.0386883736,1.0386883736,GGA,Cmmm,A6B7_oC26_65_kp_akp:As-Te,13.0,A6B7_oC26_65_kp_akp:As-Te +mp-568841,Np3Te4,-8.2999893686,-0.9547661376,0.0,-0.0996718736,GGA,I-43d,A3B4_cI28_220_a_c:Np-Te,14.0,A3B4_cI28_220_a_c:Np-Te +mp-10051,TeAs,-3.822817855,0.0783942942,0.0908134558,0.0908134558,GGA,Fm-3m,AB_cF8_225_a_b:As-Te,2.0,AB_cF8_225_a_b:As-Te +mp-20721,NpTeAs,-7.7118159917,-0.7950813318000001,0.0,-0.0419349917,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Np-Te,6.0,ABC_tP6_129_a_c_c:As-Np-Te +mp-977057,NpAs3,-7.064602805,-0.3333190809,0.090926655,0.090926655,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Np,4.0,A3B_tI8_139_ad_b:As-Np +mp-1025472,NpTe3,-6.11508613,-0.5206617897,0.3419792725,0.1848119846,GGA,Cmcm,AB3_oC16_63_c_3c:Np-Te,8.0,AB3_oC16_63_c_3c:Np-Te +mp-1078669,NpTe3,-6.4570654025,-0.8626410622,0.0,-0.1571672879,GGA,Cmcm,AB3_oC16_63_c_3c:Np-Te,8.0,AB3_oC16_63_c_3c:Np-Te +mp-1186391,NpTe3,-6.19247182,-0.5980474797,0.2645935825,0.1074262946,GGA,P6_3/mmc,AB3_hP8_194_c_h:Np-Te,8.0,AB3_hP8_194_c_h:Np-Te +mp-1186163,Np3As,-10.900161695,-0.0245473328,0.3224236756,0.3224236756,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Np,4.0,AB3_tI8_139_a_bd:As-Np +mp-1096449,TaNbRu2,-6.272893565,3.8540783725,4.10299821,4.10299821,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ru-Ta,4.0,AB2C_oI8_71_a_e_b:Nb-Ru-Ta +mp-864651,Ta2NbRu,-11.0367721575,-0.2639564475,0.0,-0.0551704875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Nb-Ru-Ta +mp-972692,SnPb,-3.80648608,0.0546233825,0.0546233825,0.0546233825,GGA,P-6m2,AB_hP2_187_a_d:Pb-Sn,2.0,AB_hP2_187_a_d:Pb-Sn +mp-1187118,SnPb3,-3.7485719412,0.038306325,0.038306325,0.038306325,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Sn,8.0,A3B_hP8_194_h_c:Pb-Sn +mp-1219045,Sn3Pb,-3.857816225,0.0775244337,0.0775244337,0.0775244337,GGA,Pmmm,AB3_oP4_47_a_bj:Pb-Sn,4.0,"Invalid WP multiplicities - AB3_oP4_47_a_b2j:Pb-Sn, expected Sn5Pb to be Sn3Pb" +mp-1187117,Sn3Pb,-3.8825807438,0.052759915,0.052759915,0.052759915,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Sn,8.0,AB3_hP8_194_c_h:Pb-Sn +mp-1188487,Zr5SnPb3,-6.78481677,-0.3530371906,0.0,-0.0991269957,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Pb-Sn-Zr,18.0,A3BC5_hP18_193_g_b_dg:Pb-Sn-Zr +mp-30619,Zr3Co,-8.3985672875,-0.2107123663,0.0,-0.0177411775,GGA,Cmcm,AB3_oC16_63_c_cf:Co-Zr,8.0,AB3_oC16_63_c_cf:Co-Zr +mp-1079065,Zr3Co,-8.0669712137,0.1208837075,0.3315960738,0.3138548962,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Zr,8.0,AB3_hP8_194_c_h:Co-Zr +mp-929,ZrCo2,-7.8995044583,-0.311392385,0.0,-0.0577474846,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Zr,6.0,A2B_cF24_227_c_b:Co-Zr +mp-1227615,Ce4ZrCo25,-7.1113250957,-0.1117250248,0.0287757999999999,0.0287757999999999,GGA,Cmmm,A4B25C_oC60_65_2h_ae2g5h2p_c:Ce-Co-Zr,30.0,"Invalid WP multiplicities - A4B25C_oC60_65_3h_a2e3g9h7p_c:Ce-Co-Zr, expected Ce6ZrCo57 to be Ce4ZrCo25" +mp-30569,Zr6Co23,-7.630908199,-0.2247870588,0.0,-0.0315090267,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Co-Zr,29.0,A23B6_cF116_225_ad2f_e:Co-Zr +mp-1207434,Zr4Co,-7.793242585,0.466581478,0.6351513710000001,0.6351513710000001,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Zr,10.0,AB4_cF40_227_a_e:Co-Zr +mp-2283,ZrCo,-8.119693995,-0.2916847825,0.0,-0.0073411308,GGA,Pm-3m,AB_cP2_221_a_b:Co-Zr,2.0,AB_cP2_221_a_b:Co-Zr +mp-1227870,Ce2ZrCo16,-7.1730507061,-0.1126841976,0.0274743053,0.0274743053,GGA,P-3m1,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Zr,38.0,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Zr +mp-628,Zr2Co,-8.32520127,-0.2572949183,0.0,-0.0195917467,GGA,I4/mcm,AB2_tI12_140_a_h:Co-Zr,6.0,AB2_tI12_140_a_h:Co-Zr +mp-1191437,Zr2Co,-8.2660788358,-0.1981724842,0.0591224342,0.0395306875,GGA,Fd-3m,AB2_cF96_227_e_cf:Co-Zr,24.0,AB2_cF96_227_e_cf:Co-Zr +mp-1188034,ZrCo3,-7.5974414125,-0.1292779087,0.1250336931,0.1250336931,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Zr,8.0,A3B_hP8_194_h_c:Co-Zr +mp-1019110,SmPbAu,-4.4560496050000005,-0.5543445367000001,0.0414700667,0.0414700667,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-Pb-Sm,6.0,ABC_hP6_194_c_d_a:Au-Pb-Sm +mp-867985,SmPbAu2,-4.354835095,-0.6100857938,0.0,-0.0357284942,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Sm,4.0,A2BC_cF16_225_c_a_b:Au-Pb-Sm +mp-1009230,NdAs,-5.78359947,-1.0699665513,0.43328846,-0.3281004669,GGA,P4/mmm,AB_tP2_123_a_d:As-Nd,2.0,AB_tP2_123_a_d:As-Nd +mp-2602,NdAs,-6.21688793,-1.5032550113,0.0,-0.7613889269,GGA,Fm-3m,AB_cF8_225_a_b:As-Nd,2.0,AB_cF8_225_a_b:As-Nd +mp-1079355,Nd(AsRh)2,-6.688351152,-0.9253511555,0.0,-0.047772948,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Nd-Rh,10.0,A2BC2_tP10_129_ac_c_bc:As-Nd-Rh +mp-1207266,Nd2(AsRh)3,-4.2752123737,1.4256093375,2.3978318052,2.3978318052,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:As-Nd-Rh,8.0,A3B2C3_tP8_123_ag_g_bg:As-Nd-Rh +mp-1186299,NdAs3,-5.205107165,-0.5187315031,0.2328960025,0.2328960025,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Nd,4.0,A3B_tI8_139_ad_b:As-Nd +mp-13961,NdAs2,-5.6846161933,-0.9891547792,0.0130152283,0.0130152283,GGA,P2_1/c,A2B_mP12_14_2e_e:As-Nd,12.0,A2B_mP12_14_2e_e:As-Nd +mp-1079810,HfSn2,-6.2607441267,-0.2686332133,0.0,-0.02977347,GGA,P6_222,AB2_hP9_180_c_i:Hf-Sn,9.0,AB2_hP9_180_c_i:Hf-Sn +mp-1095852,HfSnAu2,-3.36143524,1.7671959812,2.1877288087,2.1877288087,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Sn,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Sn +mp-21104,Hf5Sn3,-8.1069775819,-0.3801449925,0.0,-0.0368936349,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Hf-Sn,16.0,A5B3_hP16_193_dg_g:Hf-Sn +mp-510691,Hf5Sn4,-7.7119031911,-0.3980995722,0.0,-0.0445050033,GGA,P6_3/mcm,A5B4_hP18_193_dg_bg:Hf-Sn,18.0,A5B4_hP18_193_dg_bg:Hf-Sn +mp-1184633,Hf3Sn,-8.7122930575,-0.2420083213,0.0114216738,0.0114216738,GGA,I4/mmm,A3B_tI8_139_ad_b:Hf-Sn,4.0,A3B_tI8_139_ad_b:Hf-Sn +mp-1184676,Hf3Sn,-8.70992254,-0.2396378038,0.0137921912,0.0137921912,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Sn,8.0,A3B_hP8_194_h_c:Hf-Sn +mp-1184558,Hf3Sn,-8.7148093075,-0.2445245713,0.0089054238,0.0089054238,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Sn,4.0,A3B_cP4_221_c_a:Hf-Sn +mp-21328,HfSn,-7.2556561437,-0.2722757012,0.0934572813,0.0934572813,GGA,P2_13,AB_cP8_198_a_a:Hf-Sn,8.0,AB_cP8_198_a_a:Hf-Sn +mp-1198253,Yb2Mn17,-8.2048614795,0.1547951797,0.1547951797,0.1547951797,GGA,Cmcm,A17B2_oC76_63_ad2f3gh_2c:Mn-Yb,,"Invalid WP multiplicities - A17B2_oC76_63_2a3d5f10g5h_2c:Mn-Yb, expected YbMn29 to be Yb2Mn17" +mp-1187972,Yb3Sn,-2.6232830025,-0.4661838288,0.01824073,0.01824073,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Yb,,AB3_hP8_194_c_h:Sn-Yb +mp-1188350,Yb5Sn3,-3.1002569206,-0.6344122999999999,0.0147455919,0.0147455919,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Sn-Yb,,A3B5_tI32_140_ah_cl:Sn-Yb +mp-979912,Yb5Sn3,-3.0640269206,-0.5981823,0.0509755919,0.0509755919,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Yb,,A3B5_hP16_193_g_dg:Sn-Yb +mp-1201196,Yb5Sn4,-3.2571451456,-0.6197752767,0.0348134156,0.0348134156,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Sn-Yb,,A4B5_oP36_62_2cd_c2d:Sn-Yb +mp-1187582,YbMn3,-6.78108552,0.4753280191,0.4753280191,0.4753280191,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Yb,,A3B_cP4_221_c_a:Mn-Yb +mp-1102024,YbMn2,-6.2263109508,0.3949020039,0.3949020039,0.3949020039,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Yb,,A2B_hP12_194_ah_f:Mn-Yb +mp-1202057,Yb36Sn23,-3.1479355135,-0.6454600771,0.0048576128,0.0048576128,GGA,P4/mbm,A23B36_tP118_127_a3egh3k_3fgj3l:Sn-Yb,,A23B36_tP118_127_a3egh3k_3fgj3l:Sn-Yb +mp-567248,Yb4Mn2Sn5,-4.4669520145,-0.4187408346,0.0840533681,0.0840533681,GGA,C2/m,A2B5C4_mC22_12_i_a2i_2i:Mn-Sn-Yb,,"Invalid WP multiplicities - A2B5C4_mC22_12_i_a4i_4i:Mn-Sn-Yb, expected Yb8Mn2Sn9 to be Yb4Mn2Sn5" +mp-570050,Yb2Sn,-3.0088288833,-0.6458994117,0.0,-0.0675632687,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Sn-Yb,,"Invalid WP multiplicities - AB2_hP6_194_c_2ad:Sn-Yb, expected Yb3Sn to be Yb2Sn" +mp-2751,YbSn3,-3.8511824125,-0.4591014513,0.0,-0.0878036046,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Yb,,A3B_cP4_221_c_a:Sn-Yb +mp-1193270,Yb6Mn23,-7.4686062455,0.1163593199,0.1163593199,0.1163593199,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Yb,,A23B6_cF116_225_ad2f_e:Mn-Yb +mp-1190232,Yb3Sn5,-3.6402822844,-0.55694677,0.0020706219,0.0020706219,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Sn-Yb,,A5B3_oC32_63_cfg_ce:Sn-Yb +mp-2806,YbSn,-3.4335234,-0.6589333325,0.0,-0.0549389488,GGA,P4/mmm,AB_tP2_123_a_d:Sn-Yb,,AB_tP2_123_a_d:Sn-Yb +mp-1194487,YbMn28,-8.8667050007,0.0324686703,0.0324686703,0.0324686703,GGA,I-43m,A28B_cI58_217_c2g_a:Mn-Yb,,A28B_cI58_217_c2g_a:Mn-Yb +mp-1215986,Yb4Mn3,-4.4278738462,0.3784802961,0.3784802961,0.3784802961,GGA,P-3,A3B4_hP21_147_adg_2g:Mn-Yb,,A3B4_hP21_147_adg_2g:Mn-Yb +mp-979955,Yb3Mn,-3.1301567125,0.3150533205,0.3150533205,0.3150533205,GGA,Fm-3m,AB3_cF16_225_a_bc:Mn-Yb,,AB3_cF16_225_a_bc:Mn-Yb +mp-1185118,La3Yb,-4.028571135,0.0583362638,0.0583362638,0.0583362638,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Yb,,A3B_tI8_139_ad_b:La-Yb +mp-1185226,La3Yb,-4.0123318213,0.0745755775,0.0745755775,0.0745755775,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Yb,,A3B_hP8_194_h_c:La-Yb +mp-1185162,LaYb3,-2.2914354175,0.0972725688,0.0972725688,0.0972725688,GGA,Fm-3m,AB3_cF16_225_a_bc:La-Yb,,AB3_cF16_225_a_bc:La-Yb +mp-865859,LaYbCd2,-2.4690996975,-0.3887509712,0.0,-0.0284534775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-La-Yb,,A2BC_cF16_225_c_a_b:Cd-La-Yb +mp-22217,CePd5,-5.8194047033,-0.5139883358,0.0809545992,0.0809545992,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Pd,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ce-Pd, expected CePd8 to be CePd5" +mp-1226670,CeAsPd,-5.9404236567,-0.6830605333,0.4454757067,0.4056255633,GGA,C2/m,ABC_mC12_12_i_i_i:As-Ce-Pd,6.0,ABC_mC12_12_i_i_i:As-Ce-Pd +mp-8948,CeAsPd,-6.3858993633,-1.12853624,0.0,-0.0398501433,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Ce-Pd,6.0,ABC_hP6_194_c_a_d:As-Ce-Pd +mp-1063522,CePd2,-5.9353528567,-0.5044019317,0.2830300975,0.2830300975,GGA,I4/mmm,AB2_tI6_139_a_d:Ce-Pd,3.0,AB2_tI6_139_a_d:Ce-Pd +mp-567375,Ce(AsPd)2,-5.95222754,-0.830009623,0.0174682155,0.0174682155,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ce-Pd,5.0,A2BC2_tI10_139_e_a_d:As-Ce-Pd +mp-1025415,CePd7,-5.75034531,-0.4763125819,0.0,-0.0602107612,GGA,Fm-3m,AB7_cF32_225_a_bd:Ce-Pd,8.0,AB7_cF32_225_a_bd:Ce-Pd +mp-2092,CePd3,-6.2003872875,-0.8322036412,0.0,-0.2115242387,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Pd,4.0,AB3_cP4_221_a_c:Ce-Pd +mp-1025404,Ce3Pd5,-6.2273807875,-0.7650462231,0.0,-0.0035944218,GGA,P-62m,A3B5_hP8_189_g_cf:Ce-Pd,8.0,A3B5_hP8_189_g_cf:Ce-Pd +mp-1103851,Ce3Pd4,-6.2338145421,-0.7311295843000001,0.0,-0.0013990196,GGA,R-3,A3B4_hR42_148_f_abf:Ce-Pd,14.0,A3B4_hR42_148_f_abf:Ce-Pd +mp-1188284,Ce7Pd3,-6.064930892,-0.3578039405,0.0517818715,0.0517818715,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Pd,20.0,A7B3_hP20_186_b2c_c:Ce-Pd +mp-574159,CeAs2Pd3,-5.9374487617,-0.8056201958,0.0,-0.0547691567,GGA,C2/m,A2BC3_mC36_12_3i_ai_d4i:As-Ce-Pd,18.0,"Invalid WP multiplicities - A2BC3_mC36_12_4i_ai_c7i:As-Ce-Pd, expected Ce3As8Pd15 to be CeAs2Pd3" +mp-1018086,CePd,-6.2391285025,-0.68264302,0.0,-0.0429046337,GGA,Cmcm,AB_oC8_63_c_c:Ce-Pd,4.0,AB_oC8_63_c_c:Ce-Pd +mp-1600,BaHg11,-0.5794462328000001,-0.1411579865,0.021065356,0.021065356,GGA,Pm-3m,AB11_cP36_221_c_agij:Ba-Hg,36.0,AB11_cP36_221_c_agij:Ba-Hg +mp-1228441,Ba7Hg31,-0.9256569147,-0.3244222859,0.015648852,0.015648852,GGA,P-6m2,A7B31_hP38_187_acik_ghkl3n:Ba-Hg,38.0,"Invalid WP multiplicities - A7B31_hP38_187_acik_2ghkl4n:Ba-Hg, expected Ba7Hg39 to be Ba7Hg31" +mp-8094,Ba2Hg,-1.7645342667,-0.3839908517,0.0,-0.02863679,GGA,I4/mmm,A2B_tI6_139_e_a:Ba-Hg,3.0,A2B_tI6_139_e_a:Ba-Hg +mp-867770,BaHg3,-1.1461701138,-0.438666105,0.0,-0.0305345183,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Hg,8.0,AB3_hP8_194_c_h:Ba-Hg +mp-1104164,Ba3Au2,-3.0669606107,-0.6060228467000001,0.0,-0.0278569447,GGA,R-3,A2B3_hR45_148_f_acf:Au-Ba,15.0,A2B3_hR45_148_f_acf:Au-Ba +mp-1193593,BaHg6,-0.8125338914,-0.2780971586,0.0,-0.0094999693,GGA,Pnma,AB6_oP28_62_c_6c:Ba-Hg,28.0,AB6_oP28_62_c_6c:Ba-Hg +mp-570775,BaAu,-3.3191358475,-0.7227073775,0.0,-0.0662740671,GGA,Pnma,AB_oP8_62_c_c:Au-Ba,8.0,AB_oP8_62_c_c:Au-Ba +mp-30363,BaAu2,-3.5626970633,-0.74045075,0.0,-0.1575950304,GGA,P6/mmm,A2B_hP3_191_c_b:Au-Ba,3.0,A2B_hP3_191_c_b:Au-Ba +mp-1201907,Ba20Hg103,-0.8720502675,-0.3057203781,0.0019667218,0.0019667218,GGA,F-43m,A20B103_cF492_216_2efg_a6eg4hi:Ba-Hg,123.0,A20B103_cF492_216_2efg_a6eg4hi:Ba-Hg +mp-1095904,Ba2HgAu,-1.1495292625,0.7043487988,1.3322180338,1.3322180338,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ba-Hg,4.0,AB2C_oI8_71_a_e_b:Au-Ba-Hg +mp-11267,BaHg2,-1.3478913733,-0.5057794833,0.0,-0.0356583825,GGA,P6/mmm,AB2_hP3_191_a_d:Ba-Hg,3.0,AB2_hP3_191_a_d:Ba-Hg +mp-2197,BaHg,-1.644358745,-0.5330310925,0.0,-0.088145925,GGA,Pm-3m,AB_cP2_221_a_b:Ba-Hg,2.0,AB_cP2_221_a_b:Ba-Hg +mp-30364,BaAu5,-3.4910682183,-0.4430040617,0.0,-0.0727786867,GGA,P6/mmm,A5B_hP6_191_cg_a:Au-Ba,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Au-Ba, expected BaAu7 to be BaAu5" +mp-3015,HoInCu,-4.2237541867,-0.41265443,0.0,-0.05070793,GGA,P-62m,ABC_hP9_189_ad_f_g:Cu-Ho-In,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Cu-Ho-In, expected Ho3In3Cu5 to be HoInCu" +mp-1223982,Ho2In3Cu,-3.9722880717,-0.3857754717,0.031052554,0.031052554,GGA,P3m1,AB2C3_hP6_156_a_2b_a2c:Cu-Ho-In,6.0,AB2C3_hP6_156_a_2b_a2c:Cu-Ho-In +mp-30728,HoIn,-4.10241079,-0.43536449,0.0,-0.0280643972,GGA,Pm-3m,AB_cP2_221_a_b:Ho-In,2.0,AB_cP2_221_a_b:Ho-In +mp-20686,Ho2In,-4.31767602,-0.3455088633,0.0,-0.007166915,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Ho-In,6.0,A2B_hP6_194_ac_d:Ho-In +mp-1189750,Ho5In3,-4.2747418912,-0.3788549487,0.0,-0.0108821787,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Ho-In,16.0,A5B3_tI32_140_bk_ah:Ho-In +mp-1188417,Ho5In3,-4.2446857913,-0.3487988488,0.0300561,0.0191739213,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-In,16.0,A5B3_hP16_193_dg_g:Ho-In +mp-1188109,Ho3In5,-3.8739508944,-0.4357452369,0.0,-0.0223057969,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ho-In,16.0,A3B5_oC32_63_ce_cfg:Ho-In +mp-1224226,HoIn7Cu5,-3.47725709,-0.0664702954,0.0575850532,0.0575850532,GGA,Imm2,A5BC7_oI26_44_ae_b_a2b2c:Cu-Ho-In,13.0,A5BC7_oI26_44_ae_b_a2b2c:Cu-Ho-In +mp-30586,HoInCu2,-4.20836399,-0.325237505,0.0,-0.0074932807,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ho-In,4.0,A2BC_cF16_225_c_a_b:Cu-Ho-In +mp-21431,HoIn3,-3.600879405,-0.39151439,0.0,-0.1010175654,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-In,4.0,AB3_cP4_221_a_c:Ho-In +mp-973465,Ho3In,-4.37202371,-0.247296125,0.0118355225,0.0118355225,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-In,8.0,A3B_hP8_194_h_c:Ho-In +mp-863737,Ho3In,-4.3820435325,-0.2573159475,0.0018157,0.0018157,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-In,4.0,A3B_cP4_221_c_a:Ho-In +mp-30873,Th5Sn3,-6.61430045,-0.4770495981,0.0210506717,0.0210506717,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Th,16.0,A3B5_hP16_193_g_dg:Sn-Th +mp-30810,Th2Ni17,-6.2042063126,-0.2520989411,0.0058211274,0.0058211274,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Th,38.0,A17B2_hP38_194_fgjk_bc:Ni-Th +mp-1567,ThNi5,-6.46079705,-0.4083734417,0.0,-0.0607176845,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Th,6.0,A5B_hP6_191_cg_a:Ni-Th +mp-220,ThNi2,-6.7583359667,-0.43362543,0.0,-0.0005379998,GGA,P6/mmm,A2B_hP3_191_c_b:Ni-Th,3.0,A2B_hP3_191_c_b:Ni-Th +mp-623836,ThNi,-7.0285481544,-0.4315506894,0.0,-0.0686248016,GGA,Pnma,AB_oP16_62_2c_2c:Ni-Th,16.0,AB_oP16_62_4c_4c:Ni-Th +mp-1204528,Th5Sn4,-6.4388517739,-0.5380096994,0.0523313611,-0.0465473941,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Sn-Th,36.0,A4B5_oP36_62_2cd_c2d:Sn-Th +mp-30874,Th5Sn4,-6.491183135,-0.5903410606,0.0,-0.0988787552,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Sn-Th,18.0,A4B5_hP18_193_2b2g_2d2g:Sn-Th +mp-22786,ThNiSn,-6.4239084967,-0.6893862350000001,0.0,-0.0911278922,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sn-Th,3.0,ABC_cF12_216_c_a_b:Ni-Sn-Th +mp-672375,ThNiSn,-5.4137990633,0.3207231983,1.0101094333,0.9189815411,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Sn-Th,3.0,ABC_cF12_216_a_b_c:Ni-Sn-Th +mp-980110,Th(NiSn)2,-5.9216773830000005,-0.5230223190000001,0.0,-0.0131361882,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ni-Sn-Th,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_ac_b2c_c:Ni-Sn-Th, expected ThNi2Sn3 to be Th(NiSn)2" +mp-1189639,Th3Ni3Sn4,-6.1936270945,-0.6315998735,0.0,-0.0020029293,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Ni-Sn-Th,20.0,A3B4C3_cI40_220_a_c_b:Ni-Sn-Th +mp-1189920,Th2Ni7,-6.5769510867,-0.4337651689,0.0003467553,-0.0169743978,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Th,18.0,A7B2_hR54_166_a2cdh_2c:Ni-Th +mp-867004,Th2Ni7,-6.5772978419,-0.4341119242,0.0,-0.0173211531,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Th,36.0,A7B2_hP36_194_aefhk_2f:Ni-Th +mp-435,ThSn3,-5.3095649025,-0.4489214488,0.0,-0.0457342225,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Th,4.0,A3B_cP4_221_c_a:Sn-Th +mp-978965,Th3Ni,-6.8249073475,0.18052051,0.4122592075,0.4122592075,GGA,I4/mmm,AB3_tI8_139_a_bd:Ni-Th,4.0,AB3_tI8_139_a_bd:Ni-Th +mp-30872,ThSn2,-5.681916955,-0.5375829683000001,0.0,-0.0500925345,GGA,Cmcm,A2B_oC12_63_2c_c:Sn-Th,6.0,A2B_oC12_63_2c_c:Sn-Th +mp-30809,Th7Ni3,-7.201828216,-0.278086437,0.0,-0.0191560234,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ni-Th,20.0,A3B7_hP20_186_c_b2c:Ni-Th +mp-1213169,Er5(In2Pt)2,-4.9967297905,-0.8160392805000001,0.0,-0.0736014684,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Er-In-Pt,22.0,A5B4C2_oP22_55_a2g_2h_h:Er-In-Pt +mp-3526,ErInPt,-5.4579572844,-0.9944453311,0.0,-0.1015297079,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-In-Pt,9.0,ABC_hP9_189_f_g_ad:Er-In-Pt +mp-1184166,ErInPt2,-5.788783915,-0.92336662,0.0146545426,0.0146545426,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-In-Pt,4.0,ABC2_cF16_225_a_b_c:Er-In-Pt +mp-1080382,ErInPt4,-6.05267746,-0.7853548233000001,0.0667799217,0.0667799217,GGA,F-43m,ABC4_cF24_216_a_c_e:Er-In-Pt,6.0,ABC4_cF24_216_a_c_e:Er-In-Pt +mp-1202996,Nd3Ge13Rh4,-5.7353743118,-0.5423225171,0.0357971072,0.0357971072,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Rh,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Nd-Rh +mp-3375,Nd4Ge3Rh4,-6.5495250514,-0.8768973445,0.0,-0.0249678739,GGA,C2/c,A3B4C4_mC44_15_ef_2f_2f:Ge-Nd-Rh,22.0,"Invalid WP multiplicities - A3B4C4_mC44_15_ef_3f_4f:Ge-Nd-Rh, expected Nd6Ge3Rh8 to be Nd4Ge3Rh4" +mp-1189581,Nd2Ge5Rh3,-6.289199262,-0.814763487,0.0025070485,-0.0394222525,GGA,C2/c,A5B2C3_mC40_15_3ef_f_ef:Ge-Nd-Rh,20.0,A5B2C3_mC40_15_3ef_f_ef:Ge-Nd-Rh +mp-18678,Nd2Ge5Rh3,-6.2917063105,-0.8172705355000001,0.0,-0.041929301,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-Nd-Rh,20.0,"Invalid WP multiplicities - A5B2C3_oI40_72_afj_j_2b2j:Ge-Nd-Rh, expected Nd2Ge5Rh6 to be Nd2Ge5Rh3" +mp-1210029,Nd3(GeRh)2,-6.3140441746,-0.8455993536,0.0,-0.0100189517,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Nd-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ge-Nd-Rh +mp-1087501,NdGe2Rh,-6.1671761525,-0.8225483994,0.0003132634,0.0003132634,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Nd-Rh,8.0,A2BC_oC16_63_2c_c_c:Ge-Nd-Rh +mp-1220389,Nd2Ge3Rh,-5.91960993,-0.79132888,0.0402405375,0.0402405375,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Rh,6.0,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Rh +mp-4920,Nd(GeRh)2,-6.6412075260000005,-0.8926437495,0.0,-0.1351685929,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Nd-Rh,5.0,A2BC2_tI10_139_e_a_d:Ge-Nd-Rh +mp-21044,NdGeRh,-6.4758050775000005,-0.8906440250000001,0.0,-0.0125419244,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Nd-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Nd-Rh +mp-1210474,Na5(Sn5Hg)2,-2.9186293051,-0.1353524965,0.0160135384,0.0160135384,GGA,Pbcn,A2B5C10_oP68_60_d_c2d_5d:Hg-Na-Sn,68.0,A2B5C10_oP68_60_d_c2d_5d:Hg-Na-Sn +mp-1206635,Na2SnHg,-1.9429541425,-0.2033784408,0.0301099534,0.0301099534,GGA,F-43m,AB2C_cF16_216_a_bc_d:Hg-Na-Sn,4.0,AB2C_cF16_216_a_bc_d:Hg-Na-Sn +mp-864780,PaAlAu2,-5.3766395675,-0.424638445,0.0,-0.0713476924,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Pa,4.0,AB2C_cF16_225_a_c_b:Al-Au-Pa +mp-865858,PaAu3,-5.22116934,-0.387091675,0.0,-0.387091675,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Pa,4.0,A3B_cF16_225_ac_b:Au-Pa +mp-862848,Pa3Al,-8.1734842425,-0.10109179,0.0,-0.0127636112,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Pa,4.0,AB3_tI8_139_a_bd:Al-Pa +mp-1186381,Pa3Al,-8.165880505,-0.0934880525,0.0076037375,-0.0051598737,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Pa,4.0,AB3_cP4_221_a_c:Al-Pa +mp-862844,PaAl3,-5.4528325738,-0.2649845363,0.0,-0.2312872729,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Pa,8.0,A3B_hP8_194_h_c:Al-Pa +mp-973865,PaAl3,-5.43809455,-0.2502465125,0.0147380238,-0.2165492492,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Pa,4.0,A3B_cP4_221_c_a:Al-Pa +mp-1219806,PuMnAl,-9.1558471792,-0.0973706951,0.0841531342,0.0841531342,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Mn-Pu,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Mn-Pu, expected Pu3(MnAl)2 to be PuMnAl" +mp-21416,PuAl2,-7.565671185,-0.3126745217,0.0,-0.0539536246,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Pu,6.0,A2B_cF24_227_c_b:Al-Pu +mp-1186833,PuMn3,-10.0837762688,0.3546947828,0.3546947828,0.3546947828,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Pu,8.0,A3B_hP8_194_h_c:Mn-Pu +mp-1209855,Pu4Mn,-12.204200081,1.0424736414,1.0424736414,1.0424736414,GGA,Fd-3m,AB4_cF40_227_a_e:Mn-Pu,10.0,AB4_cF40_227_a_e:Mn-Pu +mp-20130,Pu3Al,-11.36578615,0.271486555,0.3887395006,0.3887395006,GGA,P4/mmm,AB3_tP4_123_a_ce:Al-Pu,4.0,AB3_tP4_123_a_ce:Al-Pu +mp-1219773,Pu3Al,-11.3360181075,0.3012545975,0.4185075431,0.4185075431,GGA,R-3m,AB3_hR12_166_a_bc:Al-Pu,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Al-Pu, expected Pu5Al to be Pu3Al" +mp-542177,PuAl3,-6.6672024642,-0.2910610092,0.0,-0.0263455367,GGA,R-3m,A3B_hR36_166_dh_bc:Al-Pu,12.0,A3B_hR36_166_dh_bc:Al-Pu +mp-1389,PuAl3,-6.6529645075,-0.2768230525,0.0142379567,-0.01210758,GGA,P6_3/mmc,A3B_hP24_194_hk_bf:Al-Pu,24.0,A3B_hP24_194_hk_bf:Al-Pu +mp-1186809,PuAl3,-6.6633363025,-0.2871948475,0.0038661617,-0.022479375,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Pu,8.0,A3B_hP8_194_h_c:Al-Pu +mp-10907,PuAl3,-6.637669605,-0.26152815,0.0295328592,0.0031873225,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Pu,4.0,A3B_cP4_221_c_a:Al-Pu +mp-1928,PuMn2,-10.4887395567,0.375216748,0.375216748,0.375216748,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-Pu,6.0,A2B_cF24_227_c_b:Mn-Pu +mp-542776,PuAl4,-6.085968373,-0.235940043,0.0,-0.0030912357,GGA,Imma,A4B_oI20_74_aeh_e:Al-Pu,10.0,A4B_oI20_74_aeh_e:Al-Pu +mp-1215270,ZrTiAu,-6.8932098333,-0.3208516178,0.0854228983,0.0854228983,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Au-Ti-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Au-Ti-Zr, expected Zr3(TiAu)2 to be ZrTiAu" +mp-12635,TiAu4,-4.477199706,-0.2789957027,0.0,-0.025112496,GGA,I4/m,A4B_tI10_87_h_a:Au-Ti,5.0,A4B_tI10_87_h_a:Au-Ti +mp-1187512,TiAu3,-4.7062748675,-0.2769903633,0.056058955,0.056058955,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-Ti,4.0,A3B_tI8_139_ad_b:Au-Ti +mp-1093757,ZrTiAu2,-3.4661223325,2.2816168292,2.7695777113,2.7695777113,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ti-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Ti-Zr +mp-11260,Ti3Au,-6.969798975,-0.2297094625,0.1236330513,-0.0156249717,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Ti,4.0,AB3_cP4_221_a_c:Au-Ti +mp-1786,Ti3Au,-7.0934320263,-0.3533425138,0.0,-0.1392580229,GGA,Pm-3n,AB3_cP8_223_a_c:Au-Ti,8.0,AB3_cP8_223_a_c:Au-Ti +mp-1018123,TiAu2,-5.23755735,-0.4231386778,0.0,-0.07784374,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Ti,3.0,A2B_tI6_139_e_a:Au-Ti +mp-1172831,TiAu2,-3.14867639,1.6657422822,2.08888096,2.01103722,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Ti,3.0,A2B_tI6_139_e_a:Au-Ti +mp-998985,TiAu,-5.9719678125,-0.3872808042,0.0408881775,0.007939408,GGA,Pmma,AB_oP4_51_e_f:Au-Ti,4.0,AB_oP4_51_e_f:Au-Ti +mp-998972,TiAu,-6.01285599,-0.4281689817,0.0,-0.0329487695,GGA,P4/nmm,AB_tP4_129_c_c:Au-Ti,4.0,AB_tP4_129_c_c:Au-Ti +mp-1217014,TiAu,-5.73344233,-0.1487553217,0.27941366,0.2464648905,GGA,P-6m2,AB_hP2_187_a_d:Au-Ti,2.0,AB_hP2_187_a_d:Au-Ti +mp-11259,TiAu,-5.90444142,-0.3197544117,0.10841457,0.0754658005,GGA,Pm-3m,AB_cP2_221_a_b:Au-Ti,2.0,AB_cP2_221_a_b:Au-Ti +mp-862907,CaCeMg2,-2.77801505,0.0067972337,0.086398805,0.086398805,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-Mg,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-Mg +mp-1099117,CaCeMg6,-2.1081316588,0.0844145081,0.1414607849,0.1414607849,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Ce-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ca-Ce-Mg +mp-1099118,CaCeMg6,-2.1007103662,0.0918358006,0.1488820774,0.1488820774,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Ce-Mg,8.0,ABC6_oC16_38_a_b_abde:Ca-Ce-Mg +mp-1099085,CaCeMg14,-1.8406498806,0.0557632278,0.0966105134,0.0966105134,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Ce-Mg, expected CaCeMg18 to be CaCeMg14" +mp-1028278,CaCeMg14,-1.8574075075,0.0390056009,0.0798528865,0.0798528865,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Ce-Mg, expected CaCeMg26 to be CaCeMg14" +mp-861908,TaTiRu2,-10.127940395,-0.5524217133,0.0,-0.0110999675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Ti,4.0,A2BC_cF16_225_c_a_b:Ru-Ta-Ti +mp-1187256,TaTi3,-8.788577740000001,0.09748568,0.09748568,0.09748568,GGA,I4/mmm,AB3_tI8_139_a_bd:Ta-Ti,4.0,AB3_tI8_139_a_bd:Ta-Ti +mp-1187250,TaTi3,-8.7910962075,0.0949672125,0.0949672125,0.0949672125,GGA,Pm-3m,AB3_cP4_221_a_c:Ta-Ti,4.0,AB3_cP4_221_a_c:Ta-Ti +mp-1187253,TaTi3,-8.788568025,0.097495395,0.097495395,0.097495395,GGA,Fm-3m,AB3_cF16_225_a_bc:Ta-Ti,4.0,AB3_cF16_225_a_bc:Ta-Ti +mp-1217887,TaTi,-9.81603684,0.0605979833,0.0605979833,0.0605979833,GGA,Cmmm,AB_oC4_65_a_c:Ta-Ti,2.0,AB_oC4_65_a_c:Ta-Ti +mp-1207381,Zr(SiPd)3,-6.4669629921,-0.7007772564,0.0081215386,0.0081215386,GGA,Cmcm,A3B3C_oC28_63_cf_cf_c:Pd-Si-Zr,14.0,A3B3C_oC28_63_cf_cf_c:Pd-Si-Zr +mp-1103414,ZrSiPd,-7.3671991117,-0.982898955,0.0,-0.1517083773,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Si-Zr,12.0,ABC_oP12_62_c_c_c:Pd-Si-Zr +mp-961661,ZrSiPd,-7.1205597233,-0.7362595667,0.2466393883,0.094931011,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Si-Zr,3.0,ABC_cF12_216_c_a_b:Pd-Si-Zr +mp-460,PrZn,-3.32662175,-0.3062970675,0.0,-0.0358523737,GGA,Pm-3m,AB_cP2_221_a_b:Pr-Zn,2.0,AB_cP2_221_a_b:Pr-Zn +mp-862759,PrMgZn2,-2.565809925,-0.3406416688,0.0,-0.0637688444,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Pr-Zn +mp-1072856,PrZn2,-2.79405725,-0.360592925,0.0,-0.0334869183,GGA,Imma,AB2_oI12_74_e_h:Pr-Zn,6.0,AB2_oI12_74_e_h:Pr-Zn +mp-1188870,PrZn3,-2.4775446225,-0.3375104763,0.0020210923,0.0020210923,GGA,Pnma,AB3_oP16_62_c_3c:Pr-Zn,16.0,AB3_oP16_62_c_3c:Pr-Zn +mp-568148,PrZn11,-1.7744659617,-0.2212921729,0.0,-0.0087549733,GGA,I4_1/amd,AB11_tI48_141_b_aci:Pr-Zn,24.0,"Invalid WP multiplicities - AB11_tI48_141_b_2a3c5i:Pr-Zn, expected PrZn48 to be PrZn11" +mp-1104934,Pr3Zn11,-2.3426308536,-0.3283524982,0.0021527747,0.0021527747,GGA,Immm,A3B11_oI28_71_ag_bf2n:Pr-Zn,14.0,A3B11_oI28_71_ag_bf2n:Pr-Zn +mp-12602,PrZn5,-2.15155104,-0.3049470725,0.0078048551,0.0078048551,GGA,P6/mmm,AB5_hP6_191_a_cg:Pr-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Pr-Zn, expected PrZn8 to be PrZn5" +mp-1186736,Pr3Zn,-3.9321317375,-0.0315165187,0.121632015,0.121632015,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Zn,4.0,A3B_tI8_139_ad_b:Pr-Zn +mp-1186740,Pr3Zn,-3.9425403725,-0.0419251537,0.11122338,0.11122338,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Zn,8.0,A3B_hP8_194_h_c:Pr-Zn +mp-1200700,Pr3Zn22,-1.9670007074,-0.28471764,0.0,-0.0059962302,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:Pr-Zn,50.0,A3B22_tI100_141_ae_c3hi:Pr-Zn +mp-30710,Pr2Zn17,-1.8988602984,-0.2684680416,0.0,-0.0092419769,GGA,R-3m,A2B17_hR57_166_c_cdfh:Pr-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Pr-Zn, expected Pr2Zn23 to be Pr2Zn17" +mp-976812,Pr2Zn17,-1.8953661234,-0.2649738666,0.003494175,-0.0057478019,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Pr-Zn,38.0,A2B17_hP38_194_bc_fgjk:Pr-Zn +mp-571501,Pr13Zn58,-2.2270865949,-0.3226231556,0.0,-0.0087038691,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Pr-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Pr-Zn +mp-1100418,ScTlCd,-3.0968405433,0.1091601272,0.3215719013,0.3215719013,GGA,F-43m,ABC_cF12_216_a_c_b:Cd-Sc-Tl,3.0,ABC_cF12_216_a_c_b:Cd-Sc-Tl +mp-861918,Sc2TlCd,-4.2786811425,-0.2910633633,0.0,-0.0765281389,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Sc-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Sc-Tl +mp-1247,Sb2Ir,-6.2077990275,-0.5089868075,0.0,-0.0741200625,GGA,P2_1/c,AB2_mP12_14_e_2e:Ir-Sb,12.0,AB2_mP12_14_e_2e:Ir-Sb +mp-1239,Sb3Ir,-5.7955845631,-0.4892250881,0.0,-0.1074849825,GGA,Im-3,AB3_cI32_204_c_g:Ir-Sb,16.0,AB3_cI32_204_c_g:Ir-Sb +mp-10125,SbIr,-6.784279835,-0.300562125,0.0811779806,0.0811779806,GGA,P6_3/mmc,AB_hP4_194_a_c:Ir-Sb,4.0,AB_hP4_194_a_c:Ir-Sb +mp-1102313,YbSbIr,-5.5778470633,-0.74216583,0.0168744095,0.0168744095,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sb-Yb,,ABC_oP12_62_c_c_c:Ir-Sb-Yb +mp-1184695,Ho3Er,-4.5515455125,0.0271908425,0.0271908425,0.0271908425,GGA,I4/mmm,AB3_tI8_139_a_bd:Er-Ho,4.0,AB3_tI8_139_a_bd:Er-Ho +mp-1184718,Ho3Er,-4.5677114875,0.0110248675,0.0110248675,0.0110248675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Ho,8.0,AB3_hP8_194_c_h:Er-Ho +mp-1184575,Ho3Er,-4.5498693975,0.0288669575,0.0288669575,0.0288669575,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Ho,4.0,AB3_cP4_221_a_c:Er-Ho +mp-976311,HoErRu2,-7.29593011,-0.37119692,0.0,-0.0020219874,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Ru +mp-1184779,HoEr3,-4.5619552175,0.0094361075,0.0094361075,0.0094361075,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Ho,8.0,A3B_hP8_194_h_c:Er-Ho +mp-1223785,HoEr,-4.563982115,0.011081725,0.011081725,0.011081725,GGA,P-6m2,AB_hP2_187_a_d:Er-Ho,2.0,AB_hP2_187_a_d:Er-Ho +mp-1185438,Lu3Hg,-3.61614265,-0.1495096687,0.08639078,0.08639078,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Lu,4.0,AB3_cP4_221_a_c:Hg-Lu +mp-1184869,HoLuHg2,-2.9019706925,-0.4742906625,0.00462591,0.00462591,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Lu,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Lu +mp-2522,LuHg,-2.8841163400000003,-0.4718008975,0.0,-0.372127785,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Lu,2.0,AB_cP2_221_a_b:Hg-Lu +mp-1183535,Br2Cl3,-2.017417026,-0.287083698,0.034135244,0.034135244,GGA,R-3m,A2B3_hR15_166_c_d:Br-Cl,5.0,A2B3_hR15_166_c_d:Br-Cl +mp-28313,NdCl2,-5.1363400467,-2.3145997958,0.1280165147,0.1280165147,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Nd,12.0,A2B_oP12_62_2c_c:Cl-Nd +mp-973953,NdCl2,-5.17651081,-2.3547705592,0.0878457514,0.0878457514,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Nd,6.0,A2B_tP6_136_f_a:Cl-Nd +mp-23183,NdCl3,-5.3263827025,-2.7479433494,0.0,-0.7317494885,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Nd,8.0,A3B_hP8_176_h_c:Cl-Nd +mp-570534,Nd4Br9,-4.5817841019,-2.0394883558,0.1514247294,0.1514247294,GGA,Pc,A9B4_mP52_7_18a_8a:Br-Nd,52.0,"Invalid WP multiplicities - A9B4_mP52_7_34a_16a:Br-Nd, expected Nd8Br17 to be Nd4Br9" +mp-1221177,Nd14Cl33,-5.1204814903,-2.4022735364,0.1702691737,0.1702691737,GGA,P-1,A33B14_aP94_2_33i_14i:Cl-Nd,94.0,A33B14_aP94_2_33i_14i:Cl-Nd +mp-1186264,Nd3Br,-4.2369989725,-0.2726313156,0.5185317429,0.5185317429,GGA,P6_3/mmc,AB3_hP8_194_c_h:Br-Nd,8.0,AB3_hP8_194_c_h:Br-Nd +mp-1186259,Nd3Br,-4.2423385,-0.2779708431,0.5131922154,0.5131922154,GGA,Pm-3m,AB3_cP4_221_a_c:Br-Nd,4.0,AB3_cP4_221_a_c:Br-Nd +mp-1220195,NdBr2Cl,-4.91396602,-2.4832808319,0.0150264017,0.0150264017,GGA,Pm,A2BC_mP8_6_a3b_2a_ab:Br-Cl-Nd,8.0,A2BC_mP8_6_a3b_2a_ab:Br-Cl-Nd +mp-27975,NdBr3,-4.7302972813,-2.3734891756,0.0,-0.7164048866,GGA,Cmcm,A3B_oC16_63_cf_c:Br-Nd,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:Br-Nd, expected NdBr5 to be NdBr3" +mp-1210109,NdBr2,-4.7140830633,-2.0893483658,0.0204197903,0.0204197903,GGA,Pnma,A2B_oP12_62_2c_c:Br-Nd,12.0,A2B_oP12_62_2c_c:Br-Nd +mp-1066781,BrCl,-2.1023061725,-0.4015236775,0.0,-0.1622872625,GGA,Cmc2_1,AB_oC8_36_a_a:Br-Cl,4.0,AB_oC8_63_a_c:Br-Cl +mp-1008492,BrCl,-2.101627915,-0.40084542,0.0006782575,-0.161609005,GGA,Cmcm,AB_oC8_63_a_c:Br-Cl,4.0,AB_oC8_63_a_c:Br-Cl +mp-864928,BrCl,-2.006305805,-0.30552331,0.0960003675,-0.066286895,GGA,P6_3mc,AB_hP4_186_b_b:Br-Cl,4.0,AB_hP4_186_b_b:Br-Cl +mp-1186268,Nd3Cl,-4.2929717575,-0.2547270181,0.6612540983,0.6612540983,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-Nd,8.0,AB3_hP8_194_c_h:Cl-Nd +mp-1183754,Ce3Ag,-5.0652308963,0.0927249708,0.1621103313,0.1621103313,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Ce,8.0,AB3_hP8_194_c_h:Ag-Ce +mp-1071422,CeAg2,-4.0459957317,-0.1799286778,0.00509895,-0.0902106625,GGA,Imma,A2B_oI12_74_h_e:Ag-Ce,6.0,A2B_oI12_74_h_e:Ag-Ce +mp-1206322,CeAg2,-4.0510946817,-0.1850276278,0.0,-0.0953096125,GGA,Imma,A2B_oI12_74_h_e:Ag-Ce,6.0,A2B_hP3_191_c_b:Ag-Ce +mp-1524385,CeAg2,-4.0497138033,-0.1836467494,0.0013808783,-0.0939287342,GGA,P6/mmm,A2B_hP3_191_c_b:Ag-Ce,3.0,A2B_hP3_191_c_b:Ag-Ce +mp-862709,CeAg3,-3.7071085262,-0.099419235,0.0393514858,0.0393514858,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Ce,8.0,A3B_hP8_194_h_c:Ag-Ce +mp-11841,CeAg,-4.453138155,-0.0703155758,0.068455145,0.068455145,GGA,P4/mmm,AB_tP2_123_a_d:Ag-Ce,2.0,AB_tP2_123_a_d:Ag-Ce +mp-2756,CeAg,-4.43524116,-0.0524185808,0.08635214,0.08635214,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Ce,2.0,AB_cP2_221_a_b:Ag-Ce +mp-1227171,CeAgPb,-3.9502418417,0.2091889011,0.5622957433,0.484854199,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Ce-Pb,6.0,ABC_hP6_164_d_c_d:Ag-Ce-Pb +mp-13407,CeAgPb,-4.5125375850000005,-0.3531068422,0.0,-0.0774415443,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Ce-Pb,6.0,ABC_hP6_186_b_a_b:Ag-Ce-Pb +mp-867239,Ce2AgPb,-4.8392353575,-0.2363900117,0.0830338275,0.0830338275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ce-Pb,4.0,AB2C_cF16_225_a_c_b:Ag-Ce-Pb +mp-1106401,Ce5AgPb3,-5.2126606861,-0.3642225763,0.0,-0.0370158278,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Ag-Ce-Pb,18.0,AB5C3_hP18_193_b_dg_g:Ag-Ce-Pb +mp-2784,Na2Te,-2.99905971,-1.0696075499,0.0,-0.4594543148,GGA,Fm-3m,A2B_cF12_225_c_a:Na-Te,3.0,A2B_cF12_225_c_a:Na-Te +mp-1186173,NaPm3,-3.6314639725,0.2620740927,0.2620740927,0.2620740927,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Pm,4.0,AB3_cP4_221_a_c:Na-Pm +mp-1186078,Na3Pm,-1.8499961,0.3295334507,0.3295334507,0.3295334507,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Pm,8.0,A3B_hP8_194_h_c:Na-Pm +mp-28353,NaTe,-3.148145446,-0.9152298527,0.0067661415,0.0067661415,GGA,Pbcn,AB_oP48_60_3d_ac2d:Na-Te,48.0,AB_oP48_60_3d_ac2d:Na-Te +mp-862945,NaPmTe2,-4.3869907875,-1.2970709368,0.0,-0.7162826081,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pm-Te,4.0,ABC2_cF16_225_a_b_c:Na-Pm-Te +mp-28478,NaTe3,-3.3886894037,-0.7005786604,0.0,-0.2429637341,GGA,P-3c1,AB3_hP48_165_c2d_3g:Na-Te,48.0,AB3_hP48_165_c2d_3g:Na-Te +mp-976072,NaAc2Pb,-3.52444561,-0.2050650154,0.0,-0.1165857708,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Na-Pb,4.0,A2BC_cF16_225_c_a_b:Ac-Na-Pb +mp-1183483,CaAcRh2,-5.6689983625,-0.4551507056,0.0,-0.1468553006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Rh,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Rh +mp-1225294,EuMnIn,-7.3459318433,0.044301764,0.3202133776,0.3202133776,GGA,P-6m2,ABC_hP3_187_b_c_e:Eu-In-Mn,3.0,ABC_hP3_187_b_c_e:Eu-In-Mn +mp-1104294,Ce3Pt4,-7.0993252314,-1.0873536964,0.0,-0.0368228582,GGA,R-3,A3B4_hR42_148_f_abf:Ce-Pt,14.0,A3B4_hR42_148_f_abf:Ce-Pt +mp-542777,CePt5,-6.74494923,-0.6968232708000001,0.0,-0.0533031067,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Pt,6.0,AB5_hP6_191_a_cg:Ce-Pt +mp-1104731,Ce3Pt2,-6.8250093667,-0.8367025457,0.0310023143,0.0310023143,GGA,R-3,A3B2_hR45_148_acf_f:Ce-Pt,15.0,A3B2_hR45_148_acf_f:Ce-Pt +mp-1213934,Ce4Pt,-5.8732223260000005,0.087475662,0.5213280920000001,0.5213280920000001,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Pt,10.0,A4B_cF40_227_e_a:Ce-Pt +mp-1226551,CePtRh,-7.343238735,-0.8870619533,0.0,-0.011822127,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Pt-Rh,6.0,ABC_oI12_74_e_a_c:Ce-Pt-Rh +mp-2109,CePt2,-7.0221697333,-0.997051135,0.0251967213,0.0251967213,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Pt,6.0,AB2_cF24_227_a_d:Ce-Pt +mp-21245,CePt,-7.0867423125,-1.084631075,0.0,-0.1017153581,GGA,Cmcm,AB_oC8_63_c_c:Ce-Pt,4.0,AB_oC8_63_c_c:Ce-Pt +mp-1182329,Ce7Pt3,-6.6108519055,-0.6363495010000001,0.014429144,0.014429144,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Pt,20.0,A7B3_hP20_186_b2c_c:Ce-Pt +mp-1214343,Ce7Pt3,-6.4765808675,-0.502078463,0.148700182,0.148700182,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Pt,20.0,A7B3_hP20_186_b2c_c:Ce-Pt +mp-11318,CePt3,-7.001902525,-0.9652802462,0.0,-0.1183430433,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Pt,4.0,AB3_cP4_221_a_c:Ce-Pt +mp-1226629,CePt4Rh,-6.9085426233,-0.6448875725000001,0.025284145,0.025284145,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Ce-Pt-Rh,6.0,AB4C_hP6_187_a_ck_e:Ce-Pt-Rh +mp-1183815,DyAg3,-3.50678657,-0.2306728575,0.0379670575,0.0379670575,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Dy,4.0,A3B_tI8_139_ad_b:Ag-Dy +mp-2167,DyAg,-4.053743095,-0.3340716733,0.0,-0.0872507575,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Dy,2.0,AB_cP2_221_a_b:Ag-Dy +mp-2618,DyAg2,-3.7530608367,-0.3290945544,0.0,-0.0480439582,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Dy,3.0,A2B_tI6_139_e_a:Ag-Dy +mp-759790,Ag2Hg5,-0.9464280107,0.079788251,0.079788251,0.079788251,GGA,P4/mbm,A2B5_tP14_127_g_cj:Ag-Hg,14.0,"Invalid WP multiplicities - A2B5_tP14_127_g_2c2j:Ag-Hg, expected AgHg5 to be Ag2Hg5" +mp-1183210,AgHg3,-0.8229377875,0.1129614871,0.1129614871,0.1129614871,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Hg,4.0,AB3_cP4_221_a_c:Ag-Hg +mp-770023,Ag2Hg3,-1.2329116818,0.0823189385,0.0823189385,0.0823189385,GGA,P1,A2B3_aP50_1_20a_30a:Ag-Hg,50.0,A2B3_aP50_1_20a_30a:Ag-Hg +mp-1229093,Ag2Hg,-1.9383978767,0.0511995806,0.0511995806,0.0511995806,GGA,P-3m1,A2B_hP3_164_d_a:Ag-Hg,3.0,A2B_hP3_164_d_a:Ag-Hg +mp-867898,DyAgHg2,-2.3497093975,-0.3380335042,0.0,-0.0159414425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Dy-Hg,4.0,ABC2_cF16_225_a_b_c:Ag-Dy-Hg +mp-1225847,Dy14Ag51,-3.4582260175,-0.2435279878,0.0,-0.0308822757,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Dy,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Dy, expected Dy14Ag71 to be Dy14Ag51" +mp-770433,Ag11Hg9,-1.615954047,0.0786079191,0.0786079191,0.0786079191,GGA,P3m1,A11B9_hP20_156_2a9b_8ab:Ag-Hg,20.0,A11B9_hP20_156_2a9b_8ab:Ag-Hg +mp-1183250,Ag3Hg,-2.17307099,0.0272661038,0.0272661038,0.0272661038,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Hg,8.0,A3B_hP8_194_h_c:Ag-Hg +mp-985443,Ag3Hg,-2.1791509325,0.0211861613,0.0211861613,0.0211861613,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Hg,4.0,A3B_cP4_221_c_a:Ag-Hg +mp-758523,AgHg,-1.4846860338,0.0834321504,0.0834321504,0.0834321504,GGA,P2_13,AB_cP8_198_a_a:Ag-Hg,8.0,AB_cP8_198_a_a:Ag-Hg +mp-758433,AgHg,-1.48275923,0.0853589542,0.0853589542,0.0853589542,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Hg,2.0,AB_cP2_221_a_b:Ag-Hg +mp-866203,AcYbHg2,-2.143506145,-0.5764701406,0.0,-0.1187985083,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Yb,,AB2C_cF16_225_a_c_b:Ac-Hg-Yb +mp-867254,SmAgAu2,-4.110882205,-0.5861556704,0.0,-0.0308754135,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Sm,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Sm +mp-1183602,CaLa,-3.395139655,0.0756638375,0.0756638375,0.0756638375,GGA,P-6m2,AB_hP2_187_a_d:Ca-La,2.0,AB_hP2_187_a_d:Ca-La +mp-1095715,CaLaRh2,-4.411060735,1.0064949463,1.5616346304,1.5616346304,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-La-Rh,4.0,ABC2_oI8_71_a_b_e:Ca-La-Rh +mp-17977,Fe12As5,-7.4191260788,-0.069958635,0.0495762268,0.0495762268,GGA,R32,A5B12_hR51_155_cd_acef:As-Fe,17.0,"Invalid WP multiplicities - A5B12_hR51_155_cd_ace2f:As-Fe, expected Fe18As5 to be Fe12As5" +mp-427,FeAs,-6.7677790725,-0.203209265,0.0,-0.005119495,GGA,Pnma,AB_oP8_62_c_c:As-Fe,8.0,AB_oP8_62_c_c:As-Fe +mp-2008,FeAs2,-6.1935390333,-0.2641196933,0.0,-0.12864685,GGA,Pnnm,A2B_oP6_58_g_a:As-Fe,6.0,A2B_oP6_58_g_a:As-Fe +mp-20426,Fe2As,-7.26802429,-0.068304015,0.0671688283,0.0671688283,GGA,P4/nmm,AB2_tP6_129_c_ac:As-Fe,6.0,AB2_tP6_129_c_ac:As-Fe +mp-1095668,TaFeAs,-8.7186482792,-0.3896758642,0.0,-0.0274236775,GGA,Pnma,ABC_oP12_62_c_c_c:As-Fe-Ta,12.0,ABC_oP12_62_c_c_c:As-Fe-Ta +mp-1206555,Dy2CdCu2,-3.964966474,-0.297991118,0.0,-0.008739702,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Dy,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Dy +mp-1078853,DyCdCu,-3.5010674178,-0.2914396611,0.0,-0.0013764694,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Cu-Dy,9.0,ABC_hP9_189_f_bc_g:Cd-Cu-Dy +mp-578,GaAg2,-2.9468403489,-0.0491043392,0.0,-0.0242713733,GGA,P-62m,A2B_hP9_189_fg_ad:Ag-Ga,9.0,A2B_hP9_189_fg_ad:Ag-Ga +mp-1103847,Tm3Ga8Ag3,-3.7147033636,-0.4182789021,0.0066358446,0.0066358446,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Tm,14.0,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Tm +mp-1184257,Ga3Ag,-2.9505502275,0.0286607902,0.0470749174,0.0470749174,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Ga,4.0,AB3_tI8_139_a_bd:Ag-Ga +mp-1184301,Ga3Ag,-2.9163284788,0.062882539,0.0812966661,0.0812966661,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Ga,8.0,AB3_hP8_194_c_h:Ag-Ga +mp-1184226,Ga3Ag,-2.9246804825,0.0545305352,0.0729446624,0.0729446624,GGA,Fm-3m,AB3_cF16_225_a_bc:Ag-Ga,4.0,AB3_cF16_225_a_bc:Ag-Ga +mp-11478,GaAg,-2.878601555,0.0517244579,0.0885527123,0.0885527123,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Ga,2.0,AB_cP2_221_a_b:Ag-Ga +mp-1216629,TmGaAg,-3.914829585,-0.4693337686,0.0008851941,0.0008851941,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ga-Tm,6.0,ABC_mC12_12_i_i_i:Ag-Ga-Tm +mp-1224795,GaAg3,-2.89715806,-0.0157170519,0.0211112025,0.0211112025,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Ga,4.0,A3B_hP4_187_ah_b:Ag-Ga +mp-1184036,GaAg3,-2.889856545,-0.0084155369,0.0284127175,0.0284127175,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Ga,8.0,A3B_hP8_194_h_c:Ag-Ga +mp-1183967,GaAg3,-2.88893889,-0.0074978819,0.0293303725,0.0293303725,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Ga,4.0,A3B_cP4_221_c_a:Ag-Ga +mp-1224870,Ga5Ag13,-2.913775055,-0.0269023797,0.014017903,0.014017903,GGA,P1,A13B5_aP18_1_13a_5a:Ag-Ga,18.0,A13B5_aP18_1_13a_5a:Ag-Ga +mp-9463,ZrGeSb,-6.42307271,-0.656496135,0.0,-0.0149634293,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Sb-Zr,6.0,ABC_tP6_129_a_c_c:Ge-Sb-Zr +mp-1189075,Zr5GeSb3,-7.4940072322,-0.8552811517000001,0.0,-0.0578689931,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ge-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ge-Sb-Zr +mp-1207505,Zr2GeSb2,-5.74703507,0.248251249,0.9774533175,0.9774533175,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Ge-Sb-Zr,5.0,AB2C2_tP5_123_a_g_g:Ge-Sb-Zr +mp-1215353,Zr4GeSb7,-6.3172053975,-0.6741354762,0.0,-0.0010579762,GGA,Pm,AB7C4_mP12_6_a_3a4b_2a2b:Ge-Sb-Zr,12.0,AB7C4_mP12_6_a_3a4b_2a2b:Ge-Sb-Zr +mp-1183078,Ac2MgPb,-3.663828115,-0.2750088312,0.0,-0.2375143781,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Mg-Pb,4.0,A2BC_cF16_225_c_a_b:Ac-Mg-Pb +mp-10445,Sc6FeTe2,-6.5783669678,-0.7170950093,0.0,-0.0287830389,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Fe-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Fe-Sc-Te +mp-1209175,Sc4Fe,-6.35475742,0.405222106,0.487404982,0.487404982,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Sc,10.0,AB4_cF40_227_a_e:Fe-Sc +mp-1095443,ScFe2,-8.0142400767,-0.256736235,0.017206685,-0.2400281339,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Sc,12.0,A2B_hP12_194_ah_f:Fe-Sc +mp-1190697,ScFe2,-8.0230071417,-0.2655033,0.00843962,-0.2487951989,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Fe-Sc,24.0,A2B_hP24_194_fgh_ef:Fe-Sc +mp-540,ScFe2,-8.0314467617,-0.27394292,0.0,-0.2572348189,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Sc,6.0,A2B_cF24_227_c_b:Fe-Sc +mp-30702,Sc29Fe6,-6.7404381743,-0.0415315656,0.0289108996,0.0289108996,GGA,Pm-3,A6B29_cP140_200_jk_abefh2j2k2l:Fe-Sc,140.0,A6B29_cP140_200_jk_abefh2j2k2l:Fe-Sc +mp-1186986,ScFe3,-7.9068594988,0.028773685,0.234230875,0.234230875,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Sc,8.0,A3B_hP8_194_h_c:Fe-Sc +mp-1911,CeSn3,-5.026056615,-0.535605435,0.0,-0.0454621142,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Sn,4.0,AB3_cP4_221_a_c:Ce-Sn +mp-1226850,Ce3Sn,-5.584374205,-0.132164375,0.28092958,0.2226889208,GGA,R-3m,A3B_hR12_166_ac_b:Ce-Sn,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ce-Sn, expected Ce5Sn to be Ce3Sn" +mp-20735,Ce3Sn,-5.865303785,-0.413093955,0.0,-0.0582406592,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Sn,4.0,A3B_cP4_221_c_a:Ce-Sn +mp-11081,CeSnAu,-5.1458328367,-0.7403185,0.0,-0.1028410086,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Ce-Sn,6.0,ABC_hP6_186_b_a_b:Au-Ce-Sn +mp-1071985,CeSnAu,-5.0973682967,-0.69185396,0.04846454,-0.0543764686,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ce-Sn,6.0,ABC_hP6_194_c_a_d:Au-Ce-Sn +mp-1189084,Ce3Sn5,-5.3231682669,-0.5922774244,0.0012506267,0.0012506267,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ce-Sn,16.0,A3B5_oC32_63_ce_cfg:Ce-Sn +mp-867310,CeSnAu2,-4.78041223,-0.6578059775,0.0,-0.0521642768,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Sn +mp-21693,Ce5Sn4,-5.6548685444,-0.5766759672,0.0,-0.024941251,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ce-Sn,36.0,A5B4_oP36_62_c2d_2cd:Ce-Sn +mp-637308,Ce5Sn3,-5.7440501112,-0.5322799437,0.0,-0.0140261237,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Ce-Sn,16.0,A5B3_tI32_140_2b2k_2a2h:Ce-Sn +mp-1105948,Ce5Sn3,-5.7188024456,-0.5070322781000001,0.0252476656,0.0112215419,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ce-Sn,16.0,A5B3_tI32_140_cl_ah:Ce-Sn +mp-1105843,Ce5Sn3,-5.6954386556,-0.4836684881,0.0486114556,0.0345853319,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ce-Sn,16.0,A5B3_hP16_193_dg_g:Ce-Sn +mp-1213936,Ce2Sn3,-5.3742921815,-0.5953134065,0.0,-0.0051961839,GGA,P-1,A2B3_aP20_2_4i_6i:Ce-Sn,20.0,A2B3_aP20_2_4i_6i:Ce-Sn +mp-1213873,Ce5Sn3Au,-5.6084966728,-0.6120474128,0.0,-0.0283685643,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Au-Ce-Sn,18.0,AB5C3_hP18_193_b_dg_g:Au-Ce-Sn +mp-28416,Ce3Sn7,-5.17479903,-0.588171985,0.0,-0.0257625955,GGA,Cmmm,A3B7_oC20_65_ag_cg2h:Ce-Sn,10.0,"Invalid WP multiplicities - A3B7_oC20_65_ag_cg3h:Ce-Sn, expected CeSn3 to be Ce3Sn7" +mp-541131,Ce2Sn5,-5.1158684664,-0.55672024,0.0164327307,0.0164327307,GGA,Cmmm,A2B5_oC28_65_2g_acg3h:Ce-Sn,14.0,A2B5_oC28_65_2g_acg3h:Ce-Sn +mp-1193042,Ce3Sn5Au6,-4.6667305229,-0.5602720414,0.0124323114,0.0124323114,GGA,Pmmn,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Ce-Sn,28.0,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Ce-Sn +mp-19962,Sn2Pt,-5.1442822633,-0.4475232533,0.0,-0.0185776157,GGA,Fm-3m,AB2_cF12_225_a_c:Pt-Sn,3.0,AB2_cF12_225_a_c:Pt-Sn +mp-22779,YbSnPt,-4.8612459511,-0.9878081328,0.0,-0.1213663145,GGA,P-62m,ABC_hP9_189_ad_g_f:Pt-Sn-Yb,,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Pt-Sn-Yb, expected Yb3Sn3Pt5 to be YbSnPt" +mp-19856,SnPt,-5.61261784,-0.5722652525,0.0,-0.1053609621,GGA,P6_3/mmc,AB_hP4_194_a_c:Pt-Sn,4.0,AB_hP4_194_a_c:Pt-Sn +mp-21820,Yb2Sn5Pt3,-4.9113491232,-0.7773015437,0.0,-0.0449709089,GGA,Pnma,A3B5C2_oP40_62_3c_5c_2c:Pt-Sn-Yb,,"Invalid WP multiplicities - A3B5C2_oP40_62_10c_16c_5c:Pt-Sn-Yb, expected Yb5(Sn8Pt5)2 to be Yb2Sn5Pt3" +mp-20662,Sn4Pt,-4.702851517,-0.280967369,0.0,-0.012453417,GGA,Ccce,AB4_oC20_68_a_i:Pt-Sn,10.0,AB4_oC20_68_a_i:Pt-Sn +mp-30846,Sn3Pt2,-5.337131213,-0.502934772,0.0,-0.005514719,GGA,P6_3/mmc,A2B3_hP10_194_f_bf:Pt-Sn,10.0,A2B3_hP10_194_f_bf:Pt-Sn +mp-20971,SnPt3,-5.93257104,-0.3768280862,0.0,-0.09069546,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Sn,4.0,A3B_cP4_221_c_a:Pt-Sn +mp-1187955,Yb3Pr,-2.2669747175,0.0829579313,0.0829579313,0.0829579313,GGA,Fm-3m,AB3_cF16_225_a_bc:Pr-Yb,,AB3_cF16_225_a_bc:Pr-Yb +mp-980044,YbPrCd2,-2.41740676,-0.3758333712,0.0,-0.01913807,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Pr-Yb,,A2BC_cF16_225_c_a_b:Cd-Pr-Yb +mp-1187548,YbPr3,-3.902781215,0.0678001713,0.0678001713,0.0678001713,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Yb,,A3B_hP8_194_h_c:Pr-Yb +mp-980001,YbPr3,-3.92431984,0.0462615463,0.0462615463,0.0462615463,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Yb,,A3B_cP4_221_c_a:Pr-Yb +mp-30339,ErAg2,-3.7437817767,-0.3328381711,0.0,-0.0515051839,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Er,3.0,A2B_tI6_139_e_a:Ag-Er +mp-1184172,ErAg3,-3.4898155263,-0.2234688212,0.0404569247,0.0404569247,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Er,8.0,A3B_hP8_194_h_c:Ag-Er +mp-2621,ErAg,-4.04651618,-0.3463787733,0.0,-0.096750145,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Er,2.0,AB_cP2_221_a_b:Ag-Er +mp-1225453,Er14Ag51,-3.4415839618,-0.2353005848,0.0,-0.0202359204,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Er,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Er, expected Er14Ag71 to be Er14Ag51" +mp-1079097,ErMgAg,-3.2671056267,-0.2669206722,0.0,-0.0275038298,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Er-Mg,9.0,ABC_hP9_189_ad_f_g:Ag-Er-Mg +mp-1184233,ErMgAg2,-3.266781765,-0.3085040483,0.0,-0.00996239,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Er-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Er-Mg +mp-1096680,LiCaHg2,-0.4860031075,0.6444677617,1.10743209,1.10743209,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Li +mp-867210,LiCa2Hg,-1.854434545,-0.2984837971,0.0198592413,0.0198592413,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-Li,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-Li +mp-1197580,Li6Ca17Hg9,-1.8658505628,-0.3570424864,0.0,-0.01970064,GGA,Im-3m,A17B9C6_cI128_229_abdk_eh_h:Ca-Hg-Li,64.0,A17B9C6_cI128_229_abdk_eh_h:Ca-Hg-Li +mp-1206819,ZnIr,-5.24309496,-0.194006065,0.0,-0.040491905,GGA,P-6m2,AB_hP2_187_a_d:Ir-Zn,2.0,AB_hP2_187_a_d:Ir-Zn +mp-865362,Zn3Ir,-3.3846874925,-0.23027124,0.0,-0.0260946147,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-Zn,4.0,AB3_tI8_139_a_bd:Ir-Zn +mp-1096698,ZnGeIr2,-3.4950679875,2.3948419688,2.6558810262,2.6558810262,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Ir-Zn,4.0,AB2C_oI8_71_a_e_b:Ge-Ir-Zn +mp-30747,Zn11Ir2,-2.6337843846,-0.2080883792,0.0,-0.0663830008,GGA,I-43m,A2B11_cI52_217_c_ceg:Ir-Zn,26.0,"Invalid WP multiplicities - A2B11_cI52_217_c_ce2g:Ir-Zn, expected Zn17Ir2 to be Zn11Ir2" +mp-1214866,Al7Cu2Ru,-4.7123755608,-0.3431908917,0.0,-0.0107706577,GGA,P4/mnc,A7B2C_tP40_128_egi_h_e:Al-Cu-Ru,40.0,A7B2C_tP40_128_egi_h_e:Al-Cu-Ru +mp-1072982,GdGe2,-8.3330190817,-0.558959765,0.0124514533,0.0124514533,GGA,I4_1/amd,AB2_tI12_141_a_e:Gd-Ge,6.0,AB2_tI12_141_a_e:Gd-Ge +mp-20869,GdTiGe,-9.5564133583,-0.6915326544,0.0,-0.0631387977,GGA,P4/nmm,ABC_tP6_129_c_c_a:Gd-Ge-Ti,6.0,ABC_tP6_129_c_c_a:Gd-Ge-Ti +mp-20070,GdTiGe,-9.5470564483,-0.6821757444000001,0.00935691,-0.0537818877,GGA,I4/mmm,ABC_tI12_139_e_e_c:Gd-Ge-Ti,6.0,ABC_tI12_139_e_e_c:Gd-Ge-Ti +mp-19918,GdGe,-10.206691875,-0.8571168275000001,0.0,-0.0865079627,GGA,Cmcm,AB_oC8_63_c_c:Gd-Ge,4.0,AB_oC8_63_c_c:Gd-Ge +mp-1198083,Gd5Ge4,-10.7159055225,-0.8411585647,0.0,-0.0792769403,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Gd-Ge,36.0,A5B4_oP36_62_c2d_2cd:Gd-Ge +mp-1188016,Zr3Be,-7.27492761,0.0707010787,0.1430290125,0.1430290125,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Zr,4.0,AB3_tI8_139_a_bd:Be-Zr +mp-10200,ZrBeSi,-6.6266676133,-0.7225237717,0.0,-0.0980722518,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Be-Si-Zr,6.0,ABC_hP6_194_c_d_a:Be-Si-Zr +mp-11283,ZrBe5,-4.7818872717000005,-0.2410931125,0.0,-0.0201241343,GGA,P6/mmm,A5B_hP6_191_cg_a:Be-Zr,6.0,A5B_hP6_191_cg_a:Be-Zr +mp-1252,ZrBe2,-5.5061016467,-0.1639261933,0.0289482967,0.0289482967,GGA,P6/mmm,A2B_hP3_191_c_b:Be-Zr,3.0,A2B_hP3_191_c_b:Be-Zr +mp-30445,ZrBe13,-4.28092994,-0.1980679489,0.0,-0.0370762648,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Zr,28.0,A13B_cF112_226_bi_a:Be-Zr +mp-2544,Zr2Be17,-4.4827993221,-0.2372509029,0.0,-0.0238976985,GGA,R-3m,A17B2_hR57_166_cdfh_c:Be-Zr,19.0,A17B2_hR57_166_cdfh_c:Be-Zr +mp-1187361,TbMg3,-2.427132855,-0.0683312925,0.0112705075,-0.0120181624,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Tb,8.0,A3B_hP8_194_h_c:Mg-Tb +mp-7381,TbMg3,-2.4384033625,-0.0796018,0.0,-0.0232886699,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Tb,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Tb, expected TbMg5 to be TbMg3" +mp-1187349,TbMgZn2,-2.5382426975,-0.349709355,0.0,-0.0492497771,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tb-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Tb-Zn +mp-13498,Tb2Mg,-3.6635546767,-0.0405505933,0.01641515,0.01641515,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Tb,3.0,AB2_tI6_139_a_e:Mg-Tb +mp-1187320,Tb5Mg,-4.089772375,0.0389127167,0.0673955883,0.0673955883,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Tb,6.0,AB5_oC12_38_a_2a3b:Mg-Tb +mp-1186862,Tb5Mg,-4.1136343583,0.0150507333,0.043533605,0.043533605,GGA,R32,AB5_hR18_155_a_ce:Mg-Tb,6.0,AB5_hR18_155_a_ce:Mg-Tb +mp-1635,TbMg,-3.20277169,-0.085448615,0.0,-0.029277539,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Tb,2.0,AB_cP2_221_a_b:Mg-Tb +mp-1217629,Tb3Mg,-3.898033555,-0.0221889675,0.02053534,0.02053534,GGA,P4/mmm,AB3_tP4_123_a_bh:Mg-Tb,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2h:Mg-Tb, expected Tb5Mg to be Tb3Mg" +mp-1187296,Tb3Mg,-3.866238585,0.0096060025,0.05233031,0.05233031,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Tb,8.0,AB3_hP8_194_c_h:Mg-Tb +mp-1188078,TbMg149,-1.6460300280000002,-0.0255227377,0.0,-0.023400023,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Tb,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Tb, expected TbMg315 to be TbMg149" +mp-11497,TbMg2,-2.6784998517,-0.066857785,0.0146929533,0.0146929533,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mg-Tb,12.0,A2B_hP12_194_ah_f:Mg-Tb +mp-1192763,Tb5Mg24,-2.1656391128,-0.0422407783,0.0201180519,0.0201180519,GGA,I-43m,A24B5_cI58_217_2g_ac:Mg-Tb,29.0,A24B5_cI58_217_2g_ac:Mg-Tb +mp-865969,LuReTc2,-9.46304112,-0.0413522212,0.1833695884,0.1833695884,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Re-Tc,4.0,ABC2_cF16_225_a_b_c:Lu-Re-Tc +mp-1102438,SmRu2,-7.9760028883,-0.2202058167,0.0,-0.0948794127,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Sm,12.0,A2B_hP12_194_ah_f:Ru-Sm +mp-1720,SmRu2,-7.9549740767,-0.199177005,0.0210288117,-0.073850601,GGA,Fd-3m,A2B_cF24_227_c_b:Ru-Sm,6.0,A2B_cF24_227_c_b:Ru-Sm +mp-1188125,Sm3Ru,-6.0959478144,-0.2384075781,0.0,-0.0034205706,GGA,Pnma,AB3_oP16_62_c_cd:Ru-Sm,16.0,AB3_oP16_62_c_cd:Ru-Sm +mp-978824,Sm2RuAu,-5.9811691625000005,-0.48480496,0.0534145553,0.0534145553,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Au-Ru-Sm +mp-1104159,Sm5Ru2,-6.288804545,-0.26855658,0.0,-0.0317091529,GGA,C2/c,A2B5_mC28_15_f_e2f:Ru-Sm,14.0,A2B5_mC28_15_f_e2f:Ru-Sm +mp-1208934,Sm4Ru,-5.368352934,0.261396482,0.4521225445,0.4521225445,GGA,Fd-3m,AB4_cF40_227_a_e:Ru-Sm,10.0,AB4_cF40_227_a_e:Ru-Sm +mp-1102243,Eu2Cu,-8.3147413692,-0.1103379458,0.0,-0.009209655,GGA,Pnma,AB2_oP12_62_c_2c:Cu-Eu,12.0,AB2_oP12_62_c_2c:Cu-Eu +mp-623108,Eu4Ir,-10.271853498,-0.298565222,0.0,-0.1440263825,GGA,I4_1/amd,A4B_tI20_141_h_a:Eu-Ir,10.0,A4B_tI20_141_h_a:Eu-Ir +mp-1183898,Eu2CuIr,-8.5998415225,-0.23693041,0.0596329044,0.0596329044,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Eu-Ir,4.0,AB2C_cF16_225_a_c_b:Cu-Eu-Ir +mp-2066,EuCu5,-5.2383394717,-0.1128336133,0.0,-0.043564585,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Eu,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Cu-Eu, expected EuCu8 to be EuCu5" +mp-1087547,EuCu,-7.3297966712,-0.1516924363,0.0,-0.027254435,GGA,Pnma,AB_oP8_62_c_c:Cu-Eu,8.0,AB_oP8_62_c_c:Cu-Eu +mp-639675,EuCu,-7.25809181,-0.079987575,0.0717048612,0.0444504262,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Eu,2.0,AB_cP2_221_a_b:Cu-Eu +mp-1071732,EuCu2,-6.2903431033,-0.1385380567,0.0,-0.0062750319,GGA,Imma,A2B_oI12_74_h_e:Cu-Eu,6.0,A2B_oI12_74_h_e:Cu-Eu +mp-995,EuIr2,-9.8264195183,-0.515129465,0.0,-0.3907272892,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-Ir,6.0,AB2_cF24_227_a_d:Eu-Ir +mp-1223665,IrPt,-7.373348965,0.081434785,0.081434785,0.081434785,GGA,R-3m,AB_hR6_166_a_b:Ir-Pt,2.0,AB_hR6_166_a_b:Ir-Pt +mp-582,CeIr2,-8.6659974067,-0.7960115683000001,0.0,-0.1365266511,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Ir,6.0,AB2_cF24_227_a_d:Ce-Ir +mp-1190097,Ce2Ir7,-8.7419270872,-0.549125135,0.0147091502,0.0147091502,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Ce-Ir,18.0,A2B7_hR54_166_2c_a2cdh:Ce-Ir +mp-31100,CeIr3,-8.7390764,-0.6269784762,0.0073350946,-0.0161317329,GGA,R-3m,AB3_hR36_166_ac_bch:Ce-Ir,12.0,AB3_hR36_166_ac_bch:Ce-Ir +mp-1191930,CeIr3,-8.7464114946,-0.6343135708000001,0.0,-0.0234668275,GGA,P6_3/mmc,AB3_hP24_194_cf_abdk:Ce-Ir,24.0,AB3_hP24_194_cf_abdk:Ce-Ir +mp-1226519,CeIrPt,-7.845629515,-0.8980772967,0.0110524157,0.0110524157,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Ir-Pt,6.0,ABC_oI12_74_e_a_c:Ce-Ir-Pt +mp-1184759,IrPt3,-6.681321245,0.08163729,0.08163729,0.08163729,GGA,Pm-3m,AB3_cP4_221_a_c:Ir-Pt,4.0,AB3_cP4_221_a_c:Ir-Pt +mp-680536,Ce5Ir4,-7.9509621181,-0.7266085075000001,0.0,-0.0919813654,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ce-Ir,36.0,"Invalid WP multiplicities - A5B4_oP36_62_4c12d_6c5d:Ce-Ir, expected Ce7Ir4 to be Ce5Ir4" +mp-1106033,Ce3Ir,-7.0678674031,-0.4084419919,0.0329973956,0.0329973956,GGA,Pnma,A3B_oP16_62_cd_c:Ce-Ir,16.0,A3B_oP16_62_cd_c:Ce-Ir +mp-30507,CeIr5,-8.720794275,-0.3665842658,0.0562914481,0.0562914481,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Ir,6.0,AB5_hP6_191_a_cg:Ce-Ir +mp-1077075,CeIr5,-8.451320445,-0.0971104358,0.3257652781,0.3257652781,GGA,F-43m,AB5_cF24_216_a_ce:Ce-Ir,6.0,AB5_cF24_216_a_ce:Ce-Ir +mp-1106112,Ce7Ir3,-7.3344199275,-0.529727265,0.0,-0.0392665224,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Ir,20.0,A7B3_hP20_186_b2c_c:Ce-Ir +mp-2663,Nb3Pt,-9.47528601,-0.3815238999999999,0.0,-0.039079969,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Pt,8.0,A3B_cP8_223_c_a:Nb-Pt +mp-30849,TaPt2,-8.74683415,-0.7468193933,0.0,-0.1162297439,GGA,Cmcm,A2B_oC12_63_g_c:Pt-Ta,6.0,A2B_oC12_63_g_c:Pt-Ta +mp-12700,NbPt3,-7.7230435306,-0.6443672806,0.0026142806,-0.1288902331,GGA,P2_1/m,AB3_mP16_11_2e_2e2f:Nb-Pt,16.0,AB3_mP16_11_2e_2e2f:Nb-Pt +mp-1078699,NbPt3,-7.7256578112,-0.6469815612,0.0,-0.1315045137,GGA,Pmmn,AB3_oP8_59_a_be:Nb-Pt,8.0,AB3_oP8_59_a_be:Nb-Pt +mp-1192954,Nb2Pt,-9.2145063747,-0.456591908,0.0018067728,0.0018067728,GGA,P4_2/mnm,A2B_tP30_136_fij_ai:Nb-Pt,30.0,A2B_tP30_136_fij_ai:Nb-Pt +mp-11514,NbPt2,-8.1018266233,-0.68730273,0.0,-0.051932275,GGA,Immm,AB2_oI6_71_a_e:Nb-Pt,3.0,AB2_oI6_71_a_e:Nb-Pt +mp-1220321,NbPt2,-7.78403297,-0.3695090767,0.3177936533,0.2658613783,GGA,P-3m1,AB2_hP3_164_a_d:Nb-Pt,3.0,AB2_hP3_164_a_d:Nb-Pt +mp-1187219,Ta3Pt,-10.643932675,-0.2328161225,0.04724115,0.04724115,GGA,Pm-3m,AB3_cP4_221_a_c:Pt-Ta,4.0,AB3_cP4_221_a_c:Pt-Ta +mp-1187204,Ta3Pt,-10.643028765,-0.2319122125,0.04814506,0.04814506,GGA,Fm-3m,AB3_cF16_225_a_bc:Pt-Ta,4.0,AB3_cF16_225_a_bc:Pt-Ta +mp-1096154,Ta2NbPt,-5.9512016575,4.0207967475,4.3346762292,4.3346762292,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Pt-Ta,4.0,ABC2_oI8_71_a_b_e:Nb-Pt-Ta +mp-999376,NbPt,-8.6983674225,-0.6121482425,0.0,-0.0402009235,GGA,Pmma,AB_oP4_51_e_f:Nb-Pt,4.0,AB_oP4_51_e_f:Nb-Pt +mp-567638,TaPt3,-8.2272077531,-0.7094133556000001,0.0,-0.1492988106,GGA,P2_1/m,A3B_mP16_11_2e2f_2e:Pt-Ta,16.0,A3B_mP16_11_2e2f_2e:Pt-Ta +mp-30850,TaPt3,-8.2269076037,-0.7091132063000001,0.0003001494,-0.1489986612,GGA,Pmmn,A3B_oP8_59_ae_b:Pt-Ta,8.0,A3B_oP8_59_ae_b:Pt-Ta +mp-1220285,NbPt4,-7.140855086,-0.263687422,0.253897827,0.253897827,GGA,R-3m,AB4_hR15_166_a_2c:Nb-Pt,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Nb-Pt, expected NbPt6 to be NbPt4" +mp-2677,ScPd3,-6.323612315,-0.8555836812000001,0.0,-0.4016983025,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Sc,4.0,A3B_cP4_221_c_a:Pd-Sc +mp-1190862,Sc2Pd,-6.60938704,-0.6611136999999999,0.0,-0.055933195,GGA,Fd-3m,AB2_cF96_227_e_cf:Pd-Sc,24.0,AB2_cF96_227_e_cf:Pd-Sc +mp-2781,ScPd,-6.663946215,-0.9077707575,0.0,-0.168869065,GGA,Pm-3m,AB_cP2_221_a_b:Pd-Sc,2.0,AB_cP2_221_a_b:Pd-Sc +mp-1226501,CeScPd6,-6.2762278238,-0.8581216838,0.0,-0.0142280225,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ce-Pd-Sc,8.0,AB6C_tP8_123_a_cdi_b:Ce-Pd-Sc +mp-1079038,HfSnIr,-8.29664094,-0.6949092517000001,0.0,-0.0629177417,GGA,P-62m,ABC_hP9_189_f_ad_g:Hf-Ir-Sn,9.0,ABC_hP9_189_f_ad_g:Hf-Ir-Sn +mp-530,Nd4Sb3,-5.6384387164,-1.1442110807,0.0,-0.0029343046,GGA,I-43d,A4B3_cI28_220_c_a:Nd-Sb,14.0,A4B3_cI28_220_c_a:Nd-Sb +mp-1213,NdSb,-5.47231443,-1.0237400937,0.254323105,0.055036419,GGA,P4/mmm,AB_tP2_123_a_d:Nd-Sb,2.0,AB_tP2_123_a_d:Nd-Sb +mp-1586,NdSb,-5.726637535,-1.2780631987,0.0,-0.199286686,GGA,Fm-3m,AB_cF8_225_a_b:Nd-Sb,2.0,AB_cF8_225_a_b:Nd-Sb +mp-12049,Nd2Sb,-5.4680004233,-0.9129017217,0.0103755753,0.0103755753,GGA,I4/mmm,A2B_tI12_139_ce_e:Nd-Sb,6.0,A2B_tI12_139_ce_e:Nd-Sb +mp-1211689,Nd8Sb14Rh17,-6.475201509,-0.8048314933,0.0,-0.0426260857,GGA,I4cm,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Nd-Rh-Sb,78.0,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Nd-Rh-Sb +mp-1188779,Nd5Sb3,-5.5671545694,-1.0386869591,0.0,-0.0245873928,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Nd-Sb,16.0,A5B3_hP16_193_dg_g:Nd-Sb +mp-1102139,NdSb2,-5.268145825,-0.9260958542,0.0,-0.0740537217,GGA,Cmce,AB2_oC24_64_f_ef:Nd-Sb,12.0,AB2_oC24_64_f_ef:Nd-Sb +mp-1223122,La2SbAu3,-4.86291921,-0.892475635,0.0320661828,0.0320661828,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Au-La-Sb,6.0,A3B2C_oP6_25_a2b_cd_a:Au-La-Sb +mp-1097481,LaSbAu2,-2.9045195125000003,0.9986735738,1.8386698779,1.8386698779,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Sb,4.0,A2BC_oI8_71_e_a_b:Au-La-Sb +mp-1190030,La3Sb4Au3,-5.150559054,-1.0359918265,0.0,-0.0938249001,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-La-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-La-Sb +mp-1206980,La2Sb3Au,-2.164522595,2.0909607267,3.1526794983,3.1526794983,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Au-La-Sb,6.0,AB2C3_tP6_123_a_g_bg:Au-La-Sb +mp-675224,LaSb2Au,-4.7259196213,-0.608946725,0.2631263163,0.2543797971,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Au-La-Sb,8.0,"Invalid WP multiplicities - ABC2_tP8_129_a_c_2b2c:Au-La-Sb, expected LaSb4Au to be LaSb2Au" +mp-644143,LaSb2Au,-4.9890459375,-0.8720730413000001,0.0,-0.0087465192,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Au-La-Sb,8.0,ABC2_tP8_129_a_c_bc:Au-La-Sb +mp-1211693,Th3Sn13Ru4,-5.9118360528,-0.3386551015,0.0150553709,0.0150553709,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Ru-Sn-Th,40.0,A4B13C3_cP40_223_e_ak_c:Ru-Sn-Th +mp-865944,ThSnRu2,-7.9023541525,-0.4092953562,0.0,-0.0660122802,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Th,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Th +mp-1106268,Pr7Pd3,-5.383577514,-0.4829789425,0.0,-0.0076315285,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Pd-Pr,20.0,A3B7_hP20_186_c_b2c:Pd-Pr +mp-1571,PrPd3,-5.84211145,-0.7619736538,0.0,-0.1902888439,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Pr,4.0,A3B_cP4_221_c_a:Pd-Pr +mp-1062974,PrPd2,-5.5614602467,-0.514570455,0.2621735973,0.2621735973,GGA,I4/mmm,A2B_tI6_139_d_a:Pd-Pr,3.0,A2B_tI6_139_d_a:Pd-Pr +mp-861483,Pr2IrPd,-6.566652795,-0.6716209200000001,0.0369507317,0.0369507317,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Pr,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Pr +mp-1104184,Pr3Pd4,-5.80251658,-0.7936245079,0.0,-0.0100279711,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Pr,14.0,A4B3_hR42_148_abf_f:Pd-Pr +mp-1102877,PrPd5,-5.5814987517,-0.4681129508,0.039869485,0.039869485,GGA,P6_322,A5B_hP12_182_bcg_d:Pd-Pr,12.0,A5B_hP12_182_bcg_d:Pd-Pr +mp-999291,PrPd,-5.7726394725,-0.79224569,0.0,-0.0803700151,GGA,Cmcm,AB_oC8_63_c_c:Pd-Pr,4.0,AB_oC8_63_c_c:Pd-Pr +mp-1186725,Pr3Pd,-5.0047587525,-0.1241089837,0.2783734683,0.2783734683,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Pr,4.0,AB3_tI8_139_a_bd:Pd-Pr +mp-570179,TbAu2,-4.58605602,-0.85867932,0.0,-0.0906942167,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Tb,3.0,A2B_tI6_139_e_a:Au-Tb +mp-1201168,TbAu6,-3.8800869284,-0.411850057,0.0090171583,0.0090171583,GGA,P4_2/ncm,A6B_tP56_138_cei2j_i:Au-Tb,56.0,A6B_tP56_138_cei2j_i:Au-Tb +mp-864824,LiTbAu2,-3.9825873275,-0.7098240858,0.0011664654,0.0011664654,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Tb,4.0,A2BC_cF16_225_c_a_b:Au-Li-Tb +mp-1095658,Tb2Au,-4.8030271525,-0.6221557525,0.0,-0.0388900975,GGA,Pnma,AB2_oP12_62_c_2c:Au-Tb,12.0,AB2_oP12_62_c_2c:Au-Tb +mp-1217878,Tb14Au51,-4.2014476077,-0.6345382631,0.0,-0.0177982415,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Tb,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Tb, expected Tb14Au71 to be Tb14Au51" +mp-999141,TbAu,-4.8290225325,-0.8748984825,0.0,-0.1344809462,GGA,Cmcm,AB_oC8_63_c_c:Au-Tb,4.0,AB_oC8_63_c_c:Au-Tb +mp-11258,TbAu,-4.808183565,-0.8540595150000001,0.0208389675,-0.1136419787,GGA,Pm-3m,AB_cP2_221_a_b:Au-Tb,2.0,AB_cP2_221_a_b:Au-Tb +mp-1185282,Li3Tb,-2.3794923437,0.2107913313,0.2107913313,0.2107913313,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Tb,8.0,A3B_hP8_194_h_c:Li-Tb +mp-1187266,Tb3Au,-4.540567945,-0.24632287,0.2202939444,0.2202939444,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Tb,4.0,AB3_cP4_221_a_c:Au-Tb +mp-1185471,LiTb3,-3.7708045775,0.1822007142,0.1822007142,0.1822007142,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Tb,4.0,AB3_tI8_139_a_bd:Li-Tb +mp-972125,LiTb3,-3.7621755337,0.1908297579,0.1908297579,0.1908297579,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Tb,8.0,AB3_hP8_194_c_h:Li-Tb +mp-1185429,LiTb3,-3.764879205,0.1881260867,0.1881260867,0.1881260867,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Tb,4.0,AB3_cP4_221_a_c:Li-Tb +mp-1025478,TbAu3,-4.3285314387,-0.7145284138,0.0,-0.0142096231,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Tb,8.0,A3B_oP8_59_ae_b:Au-Tb +mp-1226906,Ce2Fe3Rh,-7.6790133283,-0.2389216933,0.0595370375,0.0595370375,GGA,R-3m,A2B3C_hR18_166_c_d_a:Ce-Fe-Rh,6.0,A2B3C_hR18_166_c_d_a:Ce-Fe-Rh +mp-1080250,CeSe2,-5.7325192117,-1.4242151749,0.4933501667,0.4532171659,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080255,CeSe2,-5.7164328,-1.4081287632,0.5094365783,0.4693035776,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080267,CeSe2,-5.7209205158,-1.4126164791,0.5049488625,0.4648158618,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080299,CeSe2,-5.9005935117,-1.5922894749,0.3252758667,0.2851428659,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080317,CeSe2,-5.71928165,-1.4109776132,0.5065877283,0.4664547276,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080324,CeSe2,-5.7588673458,-1.4505633091,0.4670020325,0.4268690318,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080334,CeSe2,-6.0274245308,-1.7191204941,0.1984448475,0.1583118468,GGA,P1,AB2_aP12_1_4a_8a:Ce-Se,12.0,AB2_aP12_1_4a_8a:Ce-Se +mp-1080350,CeSe2,-6.1461653811,-1.8378613443,0.0797039972,0.0395709965,GGA,P1,AB2_aP9_1_3a_6a:Ce-Se,9.0,AB2_aP9_1_3a_6a:Ce-Se +mp-1080353,CeSe2,-6.1350518906,-1.8267478538,0.0908174878,0.050684487,GGA,P-1,AB2_aP18_2_3i_6i:Ce-Se,18.0,AB2_aP18_2_3i_6i:Ce-Se +mp-1080640,CeSe2,-6.1608509328,-1.852546896,0.0650184455,0.0248854448,GGA,P-1,AB2_aP39_2_a6i_13i:Ce-Se,39.0,AB2_aP39_2_a6i_13i:Ce-Se +mp-1080857,CeSe2,-5.7127488206,-1.4044447839,0.5131205577,0.472987557,GGA,P-1,AB2_aP48_2_8i_16i:Ce-Se,48.0,AB2_aP48_2_16i_32i:Ce-Se +mp-1080867,CeSe2,-5.7028728448,-1.394568808,0.5229965335,0.4828635328,GGA,P-1,AB2_aP48_2_8i_16i:Ce-Se,48.0,AB2_aP48_2_8i_16i:Ce-Se +mp-1096431,CeSe2,-5.7116905565,-1.4033865197,0.5141788219,0.4740458211,GGA,P-1,AB2_aP48_2_8i_16i:Ce-Se,48.0,AB2_aP48_2_8i_16i:Ce-Se +mp-1080338,CeSe2,-5.6994251825,-1.3911211457,0.5264441958,0.4863111951,GGA,P2_1,AB2_mP12_4_2a_4a:Ce-Se,12.0,AB2_mP12_4_2a_4a:Ce-Se +mp-1080266,CeSe2,-5.7239207192,-1.4156166824,0.5019486592,0.4618156584,GGA,C2,AB2_mC24_5_2c_ab3c:Ce-Se,12.0,AB2_mC24_5_2c_ab3c:Ce-Se +mp-1080270,CeSe2,-5.724065825,-1.4157617882,0.5018035533,0.4616705526,GGA,C2,AB2_mC24_5_2c_4c:Ce-Se,12.0,AB2_mC24_5_2c_4c:Ce-Se +mp-1080319,CeSe2,-3.8404777333,0.4678263034,2.385391645,2.3452586443,GGA,C2,AB2_mC6_5_a_c:Ce-Se,3.0,AB2_mC6_12_a_i:Ce-Se +mp-1080329,CeSe2,-5.7184119925,-1.4101079557,0.5074573858,0.4673243851,GGA,C2,AB2_mC24_5_2c_ab3c:Ce-Se,12.0,AB2_mC24_5_2c_ab3c:Ce-Se +mp-1080292,CeSe2,-5.7275376742,-1.4192336374,0.4983317042,0.4581987034,GGA,Pm,AB2_mP12_6_2a2b_2a2b2c:Ce-Se,12.0,AB2_mP12_6_2a2b_2a2b2c:Ce-Se +mp-1080264,CeSe2,-6.025450005,-1.7171459682,0.2004193733,0.1602863726,GGA,Pc,AB2_mP12_7_2a_4a:Ce-Se,12.0,AB2_mP12_7_2a_4a:Ce-Se +mp-1080257,CeSe2,-5.7231605683,-1.4148565316,0.50270881,0.4625758093,GGA,Cc,AB2_mC24_9_2a_4a:Ce-Se,12.0,AB2_mC24_9_2a_4a:Ce-Se +mp-1080362,CeSe2,-5.7059107072,-1.3976066705,0.5199586711,0.4798256704,GGA,Cc,AB2_mC144_9_12a_24a:Ce-Se,72.0,AB2_mC144_9_12a_24a:Ce-Se +mp-1080347,CeSe2,-5.9759448375,-1.6676408007,0.2499245408,0.2097915401,GGA,P2/m,AB2_mP12_10_mn_ce2mn:Ce-Se,12.0,AB2_mP12_10_mn_ae2mn:Ce-Se +mp-1080628,CeSe2,-5.7042590574,-1.3959550206,0.521610321,0.4814773202,GGA,P2/m,AB2_mP84_10_7o_i3m4n10o:Ce-Se,84.0,AB2_mP84_10_7o_i3m4n10o:Ce-Se +mp-1080310,CeSe2,-6.1081817708,-1.7998777341,0.1176876075,0.0775546068,GGA,P2_1/m,AB2_mP12_11_2e_4e:Ce-Se,12.0,AB2_mP12_11_2e_4e:Ce-Se +mp-1080365,CeSe2,-5.7024564614,-1.3941524246,0.5234129169,0.4832799162,GGA,P2_1/m,AB2_mP72_11_6f_2e11f:Ce-Se,72.0,AB2_mP72_11_6f_2e11f:Ce-Se +mp-1096791,CeSe2,-5.7026742173,-1.3943701805,0.5231951610000001,0.4830621603,GGA,P2_1/m,AB2_mP96_11_8f_2e15f:Ce-Se,96.0,AB2_mP96_11_8f_2e15f:Ce-Se +mp-1080321,CeSe2,-6.0855099608,-1.7772059241,0.1403594175,0.1002264168,GGA,C2/m,AB2_mC24_12_2i_4i:Ce-Se,12.0,AB2_mC24_12_2i_4i:Ce-Se +mp-1080367,CeSe2,-5.7026549317,-1.3943508949,0.5232144467000001,0.4830814459,GGA,C2/m,AB2_mC72_12_3j_eg2i4j:Ce-Se,36.0,AB2_mC72_12_3j_eh2i4j:Ce-Se +mp-1080371,CeSe2,-5.703545723,-1.3952416862,0.5223236554,0.4821906546,GGA,C2/m,AB2_mC168_12_7j_e7i10j:Ce-Se,84.0,AB2_mC168_12_7j_e7i10j:Ce-Se +mp-1080855,CeSe2,-5.7048350215,-1.3965309847,0.5210343569,0.4809013561,GGA,C2/m,AB2_mC96_12_4j_g3i6j:Ce-Se,48.0,AB2_mC96_12_4j_g3i6j:Ce-Se +mp-1087550,CeSe2,-5.7026738978,-1.394369861,0.5231954806,0.4830624798,GGA,C2/m,AB2_mC72_12_3j_gh2i4j:Ce-Se,36.0,AB2_mC72_12_3j_gh2i4j:Ce-Se +mp-1094152,CeSe2,-5.7057325045,-1.3974284678,0.5201368738000001,0.4800038731,GGA,C2/m,AB2_mC84_12_7i_e7i3j:Ce-Se,42.0,AB2_mC84_12_7i_e7i3j:Ce-Se +mp-1099574,CeSe2,-5.7231385625,-1.4148345257,0.5027308158,0.4625978151,GGA,C2/m,AB2_mC96_12_2i3j_4i6j:Ce-Se,48.0,AB2_mC96_12_2i6j_4i12j:Ce-Se +mp-1080854,CeSe2,-5.7036824426,-1.3953784058,0.5221869357,0.482053935,GGA,P2/c,AB2_mP54_13_e4g_af8g:Ce-Se,54.0,AB2_mP54_13_e4g_af8g:Ce-Se +mp-1098705,CeSe2,-5.6077505533,-1.2994465166,0.618118825,0.5779858243,GGA,P2/c,AB2_mP12_13_g_abcf:Ce-Se,12.0,AB2_mP12_13_g_abcf:Ce-Se +mp-1080262,CeSe2,-5.716197545,-1.4078935082,0.5096718333,0.4695388326,GGA,P2_1/c,AB2_mP24_14_2e_4e:Ce-Se,24.0,AB2_mP24_14_2e_4e:Ce-Se +mp-1080303,CeSe2,-6.2020639792,-1.8937599424,0.0238053992,-0.0163276016,GGA,P2_1/c,AB2_mP12_14_e_2e:Ce-Se,12.0,AB2_mP12_14_e_2e:Ce-Se +mp-1080632,CeSe2,-5.704127234,-1.3958231973,0.5217421443,0.4816091436,GGA,P2_1/c,AB2_mP72_14_6e_12e:Ce-Se,72.0,AB2_mP72_14_6e_12e:Ce-Se +mp-1080633,CeSe2,-5.7108477544,-1.4025437176,0.5150216240000001,0.4748886232,GGA,P2_1/c,AB2_mP48_14_4e_ab7e:Ce-Se,48.0,AB2_mP48_14_4e_ad7e:Ce-Se +mp-1237467,CeSe2,-6.0969729154,-1.7886688786,0.1288964629,0.0887634622,GGA,P2_1/c,AB2_mP48_14_4e_8e:Ce-Se,48.0,AB2_mP48_14_4e_8e:Ce-Se +mp-1080261,CeSe2,-5.7112477383,-1.4029437016,0.51462164,0.4744886393,GGA,C2/c,AB2_mC24_15_f_cef:Ce-Se,12.0,AB2_mC24_15_f_cef:Ce-Se +mp-1080277,CeSe2,-5.7106308494,-1.4023268127,0.5152385289,0.4751055281,GGA,C2/c,AB2_mC36_15_ef_3f:Ce-Se,18.0,AB2_mC36_15_ef_3f:Ce-Se +mp-1080278,CeSe2,-5.712155395,-1.4038513582,0.5137139833000001,0.4735809826,GGA,C2/c,AB2_mC48_15_2f_ae3f:Ce-Se,24.0,AB2_mC48_15_2f_ae3f:Ce-Se +mp-1080323,CeSe2,-6.1115536989,-1.8032496621,0.1143156794,0.0741826787,GGA,C2/c,AB2_mC36_15_ef_3f:Ce-Se,18.0,AB2_mC36_15_ef_3f:Ce-Se +mp-1080326,CeSe2,-5.7101487333000005,-1.4018446966,0.515720645,0.4755876443,GGA,C2/c,AB2_mC24_15_f_cef:Ce-Se,12.0,AB2_mC24_15_f_cef:Ce-Se +mp-1080370,CeSe2,-5.7242047337,-1.415900697,0.5016646446,0.4615316438,GGA,P2_12_12,AB2_oP48_18_4c_8c:Ce-Se,48.0,AB2_oP48_18_4c_8c:Ce-Se +mp-1080291,CeSe2,-5.7174273625000005,-1.4091233257,0.5084420158,0.4683090151,GGA,C222_1,AB2_oC24_20_c_abc:Ce-Se,12.0,AB2_oC24_20_c_abc:Ce-Se +mp-1080639,CeSe2,-5.7205350698,-1.412231033,0.5053343085,0.4652013078,GGA,C222,AB2_oC96_21_efij2l_2k7l:Ce-Se,48.0,AB2_oC96_21_efij2l_2k7l:Ce-Se +mp-1098703,CeSe2,-5.7135755092,-1.4052714724,0.5122938692,0.4721608684,GGA,I2_12_12_1,AB2_oI24_24_2a_bcd:Ce-Se,12.0,AB2_oI24_24_2a_bcd:Ce-Se +mp-1096430,CeSe2,-6.1981571267,-1.8898530899,0.0277122517,-0.0124207491,GGA,Pmc2_1,AB2_oP24_26_2a2b_2a2b2c:Ce-Se,24.0,AB2_oP24_26_2a2b_2a2b2c:Ce-Se +mp-1080297,CeSe2,-6.1783843308,-1.8700802941,0.0474850475,0.0073520468,GGA,Pca2_1,AB2_oP12_29_a_2a:Ce-Se,12.0,AB2_oP12_29_a_2a:Ce-Se +mp-1080272,CeSe2,-5.7158463642,-1.4075423274,0.5100230142000001,0.4698900134,GGA,Pna2_1,AB2_oP12_33_a_2a:Ce-Se,12.0,AB2_oP12_33_a_2a:Ce-Se +mp-1080642,CeSe2,-5.7049257294,-1.3966216927,0.5209436489,0.4808106481,GGA,Cmc2_1,AB2_oC72_36_2a2b_2a5b:Ce-Se,36.0,AB2_oC72_36_2a2b_2a5b:Ce-Se +mp-1084851,CeSe2,-5.7001357097,-1.391831673,0.5257336686,0.4856006679,GGA,Cmc2_1,AB2_oC72_36_2a2b_2a5b:Ce-Se,36.0,AB2_oC72_36_2a2b_2a5b:Ce-Se +mp-1247786,CeSe2,-5.9654942883,-1.6571902516,0.26037509,0.2202420893,GGA,Cmc2_1,AB2_oC24_36_2a_4a:Ce-Se,12.0,AB2_oC24_36_2a_4a:Ce-Se +mp-1040452,CeSe2,-5.96210911,-1.6538050732,0.2637602683,0.2236272676,GGA,Fmm2,AB2_oF12_42_a_c:Ce-Se,3.0,AB2_oF12_42_a_c:Ce-Se +mp-1080280,CeSe2,-5.9675730567,-1.6592690199,0.2582963217,0.2181633209,GGA,Fmm2,AB2_oF12_42_a_c:Ce-Se,3.0,AB2_oF12_42_a_c:Ce-Se +mp-1080349,CeSe2,-6.0799012628,-1.771597226,0.1459681156,0.1058351148,GGA,Fdd2,AB2_oF72_43_ab_3b:Ce-Se,18.0,AB2_oF72_43_ab_3b:Ce-Se +mp-1080269,CeSe2,-5.7134903758,-1.4051863391,0.5123790025,0.4722460018,GGA,Ima2,AB2_oI24_46_c_abc:Ce-Se,12.0,AB2_oI24_46_c_abc:Ce-Se +mp-1080294,CeSe2,-5.55553237,-1.2472283332,0.6703370083,0.6302040076000001,GGA,Pmmm,AB2_oP3_47_a_j:Ce-Se,3.0,AB2_oP3_47_a_j:Ce-Se +mp-1080364,CeSe2,-5.7150715954,-1.4067675586,0.5107977829,0.4706647822,GGA,Pnnn,AB2_oP24_48_m_eghi:Ce-Se,24.0,AB2_oP24_48_m_eghi:Ce-Se +mp-1080357,CeSe2,-5.6319304117,-1.3236263749,0.5939389667,0.5538059659,GGA,Pban,AB2_oP24_50_m_eghi:Ce-Se,24.0,AB2_oP24_50_m_eghi:Ce-Se +mp-1080366,CeSe2,-5.7103848992,-1.4020808624,0.5154844792000001,0.4753514784,GGA,Pcca,AB2_oP24_54_f_acde:Ce-Se,24.0,AB2_oP24_54_f_acde:Ce-Se +mp-1080344,CeSe2,-5.7072992208,-1.3989951841,0.5185701575,0.4784371568,GGA,Pccn,AB2_oP24_56_e_ace:Ce-Se,24.0,AB2_oP24_56_e_ace:Ce-Se +mp-1080328,CeSe2,-6.104849085,-1.7965450482,0.1210202933,0.0808872926,GGA,Pnnm,AB2_oP6_58_a_g:Ce-Se,6.0,AB2_oP6_58_a_g:Ce-Se +mp-1080348,CeSe2,-6.21216734,-1.9038633032,0.0137020383,-0.0264309624,GGA,Pmmn,AB2_oP6_59_a_e:Ce-Se,6.0,AB2_oP6_59_a_e:Ce-Se +mp-1087552,CeSe2,-5.7020179731,-1.3937139363,0.5238514053000001,0.4837184045,GGA,Pmmn,AB2_oP72_59_ab5e_c6ef2g:Ce-Se,72.0,AB2_oP72_59_ab5e_c6ef2g:Ce-Se +mp-1080302,CeSe2,-6.097167335,-1.7888632982,0.1287020433,0.0885690426,GGA,Pbcn,AB2_oP12_60_c_d:Ce-Se,12.0,AB2_oP12_60_c_d:Ce-Se +mp-1080851,CeSe2,-6.1021571733,-1.7938531366,0.123712205,0.0835792043,GGA,Pbcn,AB2_oP36_60_cd_3d:Ce-Se,36.0,AB2_oP36_60_cd_3d:Ce-Se +mp-1087553,CeSe2,-5.7087914283,-1.4004873916,0.51707795,0.4769449493,GGA,Pbcn,AB2_oP36_60_cd_3d:Ce-Se,36.0,"Invalid WP multiplicities - AB2_oP36_60_cd_4d:Ce-Se, expected Ce3Se8 to be CeSe2" +mp-1080301,CeSe2,-6.1813128133,-1.8730087766,0.044556565,0.0044235643,GGA,Pbca,AB2_oP24_61_c_2c:Ce-Se,24.0,AB2_oP24_61_c_2c:Ce-Se +mp-1080853,CeSe2,-6.1994229204,-1.8911188836,0.0264464579,-0.0136865428,GGA,Pbca,AB2_oP24_61_c_2c:Ce-Se,24.0,AB2_oP24_61_c_2c:Ce-Se +mp-1098708,CeSe2,-6.1167951837,-1.808491147,0.1090741946,0.0689411938,GGA,Pbca,AB2_oP24_61_c_2c:Ce-Se,24.0,AB2_oP24_61_c_2c:Ce-Se +mp-1080307,CeSe2,-6.1399398133,-1.8316357766,0.085929565,0.0457965643,GGA,Pnma,AB2_oP12_62_c_2c:Ce-Se,12.0,AB2_oP12_62_c_2c:Ce-Se +mp-1080312,CeSe2,-6.2172398867,-1.9089358499,0.0086294917,-0.0315035091,GGA,Pnma,AB2_oP12_62_c_2c:Ce-Se,12.0,AB2_oP12_62_c_2c:Ce-Se +mp-1080340,CeSe2,-6.0280343017,-1.7197302649,0.1978350767,0.1577020759,GGA,Cmcm,AB2_oC12_63_c_2c:Ce-Se,6.0,AB2_oC12_63_c_2c:Ce-Se +mp-1080361,CeSe2,-5.7013764046,-1.3930723678,0.5244929738,0.484359973,GGA,Cmcm,AB2_oC144_63_2f2h_2cdef2g3h:Ce-Se,72.0,AB2_oC144_63_2f2h_2cdef2g3h:Ce-Se +mp-1080641,CeSe2,-5.7031779904,-1.3948739536,0.522691388,0.4825583872,GGA,Cmmm,AB2_oC108_65_gopr_ehnopq2r:Ce-Se,54.0,AB2_oC108_65_gopr_ehnopq2r:Ce-Se +mp-1080356,CeSe2,-5.7053803946,-1.3970763579,0.5204889837000001,0.480355983,GGA,Fmmm,AB2_oF216_69_f2mp_himn3p:Ce-Se,54.0,AB2_oF216_69_f2mp_himn3p:Ce-Se +mp-1080273,CeSe2,-5.707664815,-1.3993607782,0.5182045633,0.4780715626,GGA,Fddd,AB2_oF48_70_e_cf:Ce-Se,12.0,AB2_oF48_70_e_cf:Ce-Se +mp-1080298,CeSe2,-5.7047244079,-1.3964203711,0.5211449704000001,0.4810119697,GGA,Fddd,AB2_oF96_70_h_c2ef:Ce-Se,24.0,AB2_oF96_70_h_c2ef:Ce-Se +mp-1080358,CeSe2,-5.6692985279,-1.3609944911,0.5565708504,0.5164378497000001,GGA,Fddd,AB2_oF96_70_h_c2ef:Ce-Se,24.0,AB2_oF96_70_h_c2ef:Ce-Se +mp-1080629,CeSe2,-5.7020530504,-1.3937490136,0.523816328,0.4836833272,GGA,Immm,AB2_oI108_71_emno_fgkm2n2o:Ce-Se,54.0,AB2_oI108_71_emno_fgkm2n2o:Ce-Se +mp-1080248,CeSe2,-5.723152365,-1.4148483282,0.5027170133000001,0.4625840126,GGA,Ibam,AB2_oI12_72_a_j:Ce-Se,6.0,AB2_oI12_72_a_j:Ce-Se +mp-1080275,CeSe2,-4.621689595,-0.3133855582,1.6041797833,1.5640467826000002,GGA,Ibam,AB2_oI12_72_c_j:Ce-Se,6.0,AB2_oI12_72_c_j:Ce-Se +mp-1011377,CeSe2,-6.0442013283,-1.7358972916000002,0.18166805,0.1415350493,GGA,Ibam,AB2_oI12_72_a_j:Ce-Se,6.0,AB2_oI12_72_a_j:Ce-Se +mp-1080374,CeSe2,-5.7053443396,-1.3970403028,0.5205250387,0.480392038,GGA,Imma,AB2_oI144_74_2h2j_2efgh2i3j:Ce-Se,72.0,AB2_oI144_74_2h2j_2efgh2i3j:Ce-Se +mp-1099575,CeSe2,-5.7035433815,-1.3952393447,0.5223259969,0.4821929961,GGA,Imma,AB2_oI192_74_2h3j_2efh3i5j:Ce-Se,96.0,AB2_oI192_74_2h3j_2efh3i5j:Ce-Se +mp-1080327,CeSe2,-6.1016213212,-1.7933172845,0.1242480571,0.0841150563,GGA,I4_1,AB2_tI48_80_2b_4b:Ce-Se,24.0,AB2_tI48_80_2b_4b:Ce-Se +mp-1080311,CeSe2,-5.7129728733,-1.4046688366,0.5128965050000001,0.4727635043,GGA,I-4,AB2_tI24_82_g_2g:Ce-Se,12.0,AB2_tI24_82_g_2g:Ce-Se +mp-1080306,CeSe2,-6.0368464033,-1.7285423666000002,0.189022975,0.1488899743,GGA,I4/m,AB2_tI24_87_h_2h:Ce-Se,12.0,AB2_tI24_87_h_2h:Ce-Se +mp-1080630,CeSe2,-6.0977652727,-1.7894612359000002,0.1281041056,0.0879711049,GGA,I4_1/a,AB2_tI96_88_2f_4f:Ce-Se,48.0,AB2_tI96_88_2f_4f:Ce-Se +mp-1080259,CeSe2,-6.0982217608,-1.7899177241,0.1276476175,0.0875146168,GGA,P4_12_12,AB2_tP12_92_a_b:Ce-Se,12.0,AB2_tP12_92_a_b:Ce-Se +mp-1080335,CeSe2,-6.1183738367,-1.8100697999,0.1074955417,0.0673625409,GGA,P4_12_12,AB2_tP12_92_a_b:Ce-Se,12.0,AB2_tP12_92_a_b:Ce-Se +mp-1247785,CeSe2,-5.70829772,-1.3999936832,0.5175716583000001,0.4774386576,GGA,P4_12_12,AB2_tP12_92_a_b:Ce-Se,12.0,AB2_tP12_92_a_b:Ce-Se +mp-1080635,CeSe2,-5.7038253286,-1.3955212918,0.5220440497000001,0.481911049,GGA,P4_32_12,AB2_tP36_96_ab_3b:Ce-Se,36.0,AB2_tP36_96_ab_3b:Ce-Se +mp-1080288,CeSe2,-5.7059176217,-1.3976135849,0.5199517567,0.4798187559,GGA,I4_122,AB2_tI24_98_f_cd:Ce-Se,12.0,AB2_tI24_98_f_cd:Ce-Se +mp-1080354,CeSe2,-5.6918296692,-1.3835256324,0.5340397092,0.4939067084,GGA,I4_122,AB2_tI48_98_g_2cdf:Ce-Se,24.0,AB2_tI48_98_g_2cdf:Ce-Se +mp-1080308,CeSe2,-5.7173559108,-1.4090518741,0.5085134675,0.4683804668,GGA,P-4n2,AB2_tP24_118_i_fhi:Ce-Se,24.0,AB2_tP24_118_i_fhi:Ce-Se +mp-1080256,CeSe2,-5.7111970062,-1.4028929695,0.5146723721,0.4745393713,GGA,I-42m,AB2_tI48_121_j_fij:Ce-Se,24.0,AB2_tI48_121_j_fij:Ce-Se +mp-1080260,CeSe2,-5.719170275,-1.4108662382,0.5066991033,0.4665661026,GGA,I-42d,AB2_tI12_122_a_d:Ce-Se,6.0,AB2_tI12_122_a_d:Ce-Se +mp-1080332,CeSe2,-5.7029208133,-1.3946167766,0.5229485650000001,0.4828155643,GGA,I-42d,AB2_tI12_122_a_d:Ce-Se,6.0,AB2_tI12_122_a_d:Ce-Se +mp-1080372,CeSe2,-5.6439168423,-1.3356128055,0.5819525360000001,0.5418195353,GGA,P4/nnc,AB2_tP48_126_k_f2hi:Ce-Se,48.0,AB2_tP48_126_k_f2hi:Ce-Se +mp-1018665,CeSe2,-6.2258693783,-1.9175653416,0.0,-0.0401330007,GGA,P4/nmm,AB2_tP6_129_c_ac:Ce-Se,6.0,AB2_tP6_129_c_ac:Ce-Se +mp-1080637,CeSe2,-5.6976883156,-1.3893842789,0.5281810627,0.488048062,GGA,P4_2/mmc,AB2_tP96_131_nor_gjopq2r:Ce-Se,96.0,AB2_tP96_131_nor_gjopq2r:Ce-Se +mp-1080341,CeSe2,-5.710080535,-1.4017764982,0.5157888433,0.4756558426,GGA,P4_2/mcm,AB2_tP24_132_n_fil:Ce-Se,24.0,AB2_tP24_132_n_fil:Ce-Se +mp-1080856,CeSe2,-5.711213294,-1.4029092572,0.5146560844,0.4745230836,GGA,P4_2/nbc,AB2_tP48_133_k_hjk:Ce-Se,48.0,AB2_tP48_133_k_hjk:Ce-Se +mp-1080363,CeSe2,-5.703682804,-1.3953787672,0.5221865744,0.4820535736,GGA,P4_2/mbc,AB2_tP48_135_i_ghi:Ce-Se,48.0,AB2_tP48_135_i_ghi:Ce-Se +mp-1080268,CeSe2,-6.102443575,-1.7941395382,0.1234258033,0.0832928026,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ce-Se,6.0,AB2_tP6_136_a_f:Ce-Se +mp-1011375,CeSe2,-6.0821296367,-1.7738255999,0.1437397417,0.1036067409,GGA,I4/mmm,AB2_tI6_139_a_e:Ce-Se,3.0,AB2_tI6_139_a_e:Ce-Se +mp-1080631,CeSe2,-5.7218135742000005,-1.4135095374,0.5040558042000001,0.4639228034,GGA,I4/mcm,AB2_tI96_140_jl_ehlm:Ce-Se,48.0,AB2_tI96_140_jl_ehlm:Ce-Se +mp-1080860,CeSe2,-5.7026919585,-1.3943879218,0.5231774198,0.483044419,GGA,I4/mcm,AB2_tI96_140_m_ijkl:Ce-Se,48.0,AB2_tI96_140_m_ijkl:Ce-Se +mp-1098707,CeSe2,-5.7000930208,-1.3917889841,0.5257763575000001,0.4856433568,GGA,I4/mcm,AB2_tI48_140_l_ehj:Ce-Se,24.0,AB2_tI48_140_l_ehj:Ce-Se +mp-1080295,CeSe2,-6.1298713833,-1.8215673466,0.095997995,0.0558649943,GGA,I4_1/amd,AB2_tI12_141_a_e:Ce-Se,6.0,AB2_tI12_141_a_e:Ce-Se +mp-1080352,CeSe2,-5.7033987948,-1.395094758,0.5224705835,0.4823375828,GGA,I4_1/amd,AB2_tI96_141_i_fg2h:Ce-Se,48.0,AB2_tI96_141_i_fg2h:Ce-Se +mp-1080634,CeSe2,-5.7018915131,-1.3935874764,0.5239778652,0.4838448645,GGA,I4_1/amd,AB2_tI96_141_gh_cehi:Ce-Se,48.0,AB2_tI96_141_gh_cehi:Ce-Se +mp-1087242,CeSe2,-5.7082268542,-1.3999228174,0.5176425242,0.4775095234,GGA,I4_1/amd,AB2_tI96_141_i_fg2h:Ce-Se,48.0,AB2_tI96_141_i_fg2h:Ce-Se +mp-1080859,CeSe2,-5.718981901,-1.4106778643,0.5068874773000001,0.4667544765,GGA,I4_1/acd,AB2_tI96_142_g_deg:Ce-Se,48.0,AB2_tI96_142_g_deg:Ce-Se +mp-1080320,CeSe2,-5.8923774417,-1.5840734049,0.3334919367,0.2933589359,GGA,R-3,AB2_hR54_148_f_def:Ce-Se,18.0,AB2_hR54_148_f_def:Ce-Se +mp-1080636,CeSe2,-5.7196423886000005,-1.4113383518,0.5062269897,0.466093989,GGA,R-3,AB2_hR216_148_4f_8f:Ce-Se,72.0,AB2_hR216_148_4f_8f:Ce-Se +mp-1080265,CeSe2,-5.7269971544,-1.4186931177,0.4988722239,0.4587392231,GGA,P3_121,AB2_hP9_152_a_c:Ce-Se,9.0,AB2_hP9_152_a_c:Ce-Se +mp-1080296,CeSe2,-5.6866643022000005,-1.3783602655,0.5392050761,0.4990720754,GGA,P3_221,AB2_hP9_154_a_c:Ce-Se,9.0,AB2_hP9_154_a_c:Ce-Se +mp-1080346,CeSe2,-6.21447178,-1.9061677432,0.0113975983,-0.0287354024,GGA,P3_221,AB2_hP9_154_a_c:Ce-Se,9.0,AB2_cF12_225_a_c:Ce-Se +mp-1237669,CeSe2,-6.2143716033,-1.9060675666,0.011497775,-0.0286352257,GGA,P3_221,AB2_hP9_154_a_c:Ce-Se,9.0,AB2_hR9_166_a_c:Ce-Se +mp-1011374,CeSe2,-5.9657964367,-1.6574923999,0.2600729417,0.2199399409,GGA,R3m,AB2_hR9_160_a_2a:Ce-Se,3.0,AB2_hR9_160_a_2a:Ce-Se +mp-1080305,CeSe2,-6.0576664167,-1.7493623799,0.1682029617,0.1280699609,GGA,R3m,AB2_hR18_160_2a_4a:Ce-Se,6.0,AB2_hR18_160_2a_4a:Ce-Se +mp-1080316,CeSe2,-5.6167220328,-1.308417996,0.6091473456000001,0.5690143448,GGA,P-31m,AB2_hP18_162_k_fgi:Ce-Se,18.0,AB2_hP18_162_k_fgi:Ce-Se +mp-1080866,CeSe2,-5.7237264172,-1.4154223805,0.5021429611,0.4620099604,GGA,P-31m,AB2_hP36_162_l_2ijk:Ce-Se,36.0,AB2_hP36_162_l_2ijk:Ce-Se +mp-1080373,CeSe2,-5.7176910247,-1.409386988,0.5081783536,0.4680453529,GGA,P-31c,AB2_hP36_163_i_ghi:Ce-Se,36.0,AB2_hP36_163_i_ghi:Ce-Se +mp-1094153,CeSe2,-5.5468626547,-1.238558618,0.6790067236,0.6388737229,GGA,P-31c,AB2_hP36_163_i_g3h:Ce-Se,36.0,AB2_hP36_163_i_g3h:Ce-Se +mp-1080274,CeSe2,-6.16290791,-1.8546038732,0.0629614683,0.0228284676,GGA,R-3m,AB2_hR9_166_a_c:Ce-Se,3.0,AB2_hR9_166_a_c:Ce-Se +mp-1080281,CeSe2,-6.1634918333,-1.8551877966,0.062377545,0.0222445443,GGA,R-3m,AB2_hR9_166_a_c:Ce-Se,3.0,AB2_hR9_166_a_c:Ce-Se +mp-1080304,CeSe2,-5.6803723922,-1.3720683555,0.5454969861,0.5053639854,GGA,R-3m,AB2_hR54_166_h_def:Ce-Se,18.0,AB2_hR54_166_h_def:Ce-Se +mp-1080313,CeSe2,-6.161983965,-1.8536799282,0.0638854133,0.0237524126,GGA,R-3m,AB2_hR18_166_c_2c:Ce-Se,6.0,AB2_hR18_166_c_2c:Ce-Se +mp-1080337,CeSe2,-6.1679208167,-1.8596167799,0.0579485617,0.0178155609,GGA,R-3m,AB2_hR9_166_a_c:Ce-Se,3.0,AB2_hR9_166_a_c:Ce-Se +mp-1080863,CeSe2,-5.7050571864,-1.3967531496,0.5208121919,0.4806791912,GGA,R-3m,AB2_hR108_166_i_fg2h:Ce-Se,36.0,AB2_hR108_166_i_fg2h:Ce-Se +mp-1087554,CeSe2,-5.6795579542,-1.3712539174,0.5463114242,0.5061784234,GGA,R-3m,AB2_hR108_166_i_2fgh:Ce-Se,36.0,AB2_hR108_166_i_2fgh:Ce-Se +mp-1080314,CeSe2,-5.9342610244,-1.6259569877,0.2916083539,0.2514753531,GGA,R-3c,AB2_hR54_167_e_de:Ce-Se,18.0,AB2_hR54_167_e_de:Ce-Se +mp-1080858,CeSe2,-5.6972782953,-1.3889742585,0.5285910831,0.4884580823,GGA,R-3c,AB2_hR108_167_f_def:Ce-Se,36.0,AB2_hR108_167_f_def:Ce-Se +mp-1087241,CeSe2,-5.6536808389,-1.3453768021,0.5721885394,0.5320555387,GGA,R-3c,AB2_hR108_167_f_d3e:Ce-Se,36.0,AB2_hR108_167_f_d3e:Ce-Se +mp-1098704,CeSe2,-5.6378821661,-1.3295781293,0.5879872122,0.5478542115,GGA,R-3c,AB2_hR54_167_e_de:Ce-Se,18.0,AB2_hR54_167_e_de:Ce-Se +mp-1080864,CeSe2,-5.6279916297,-1.319687593,0.5978777486,0.5577447479000001,GGA,P622,AB2_hP36_177_n_j2lm:Ce-Se,36.0,AB2_hP36_177_n_j2lm:Ce-Se +mp-1080351,CeSe2,-5.6875577844,-1.3792537477,0.5383115939,0.4981785931,GGA,P6_222,AB2_hP9_180_c_j:Ce-Se,9.0,AB2_hP9_180_c_j:Ce-Se +mp-1080309,CeSe2,-5.9685610008,-1.6602569641,0.2573083775,0.2171753768,GGA,P6_3mc,AB2_hP12_186_2b_2a2b:Ce-Se,12.0,AB2_hP12_186_2b_2a2b:Ce-Se +mp-1080279,CeSe2,-5.96295925,-1.6546552132,0.2629101283,0.2227771276,GGA,P-6m2,AB2_hP3_187_a_h:Ce-Se,3.0,AB2_hP3_187_a_h:Ce-Se +mp-1080325,CeSe2,-5.9704517875,-1.6621477507,0.2554175908,0.2152845901,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Ce-Se,12.0,AB2_hP12_187_adg_gh2i:Ce-Se +mp-1080345,CeSe2,-6.0594438592,-1.7511398224,0.1664255192,0.1262925184,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Ce-Se,12.0,AB2_hP12_187_adg_gh2i:Ce-Se +mp-1021484,CeSe2,-6.2071358722,-1.8988318355,0.0187335061,-0.0213994946,GGA,P-62m,AB2_hP9_189_ad_fg:Ce-Se,9.0,AB2_hP9_189_ad_fg:Ce-Se +mp-1100266,CeSe2,-5.6973766157,-1.3890725789,0.5284927626,0.4883597619,GGA,P6/mmm,AB2_hP102_191_hlno_cijk2or:Ce-Se,102.0,AB2_hP102_191_hlno_cijk2or:Ce-Se +mp-1011376,CeSe2,-5.6595575367,-1.3512534999,0.5663118417,0.5261788409,GGA,P6/mmm,AB2_hP3_191_a_d:Ce-Se,3.0,AB2_hP3_191_a_d:Ce-Se +mp-1080638,CeSe2,-5.705755395,-1.3974513582,0.5201139833,0.4799809826,GGA,P6_3/mcm,AB2_hP72_193_l_2ijk:Ce-Se,72.0,AB2_hP72_193_l_2ijk:Ce-Se +mp-1022717,CeSe2,-6.0569815492,-1.7486775124,0.1688878292,0.1287548284,GGA,P6_3/mmc,AB2_hP12_194_ab_2f:Ce-Se,12.0,AB2_hP12_194_ab_2f:Ce-Se +mp-1080263,CeSe2,-5.9680379233,-1.6597338866,0.257831455,0.2176984543,GGA,P6_3/mmc,AB2_hP6_194_c_f:Ce-Se,6.0,AB2_hP6_194_c_f:Ce-Se +mp-1080330,CeSe2,-6.1022028983,-1.7938988616,0.12366648,0.0835334793,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ce-Se,6.0,AB2_hP6_194_c_ad:Ce-Se +mp-1094151,CeSe2,-5.7120009086,-1.4036968718,0.5138684697,0.473735469,GGA,P6_3/mmc,AB2_hP36_194_k_ghk:Ce-Se,36.0,AB2_hP36_194_k_ghk:Ce-Se +mp-1098702,CeSe2,-6.162908685,-1.8546046482,0.0629606933,0.0228276926,GGA,P6_3/mmc,AB2_hP6_194_a_f:Ce-Se,6.0,AB2_hP6_194_a_f:Ce-Se +mp-1098706,CeSe2,-5.967058895,-1.6587548582,0.2588104833,0.2186774826,GGA,P6_3/mmc,AB2_hP6_194_b_f:Ce-Se,6.0,AB2_hP6_194_b_f:Ce-Se +mp-1080865,CeSe2,-5.7012519436,-1.3929479068,0.5246174347,0.484484434,GGA,P23,AB2_cP36_195_j_fgj:Ce-Se,36.0,AB2_cP36_195_j_fgj:Ce-Se +mp-1080359,CeSe2,-5.7195271178,-1.4112230810000002,0.5063422606,0.4662092598,GGA,I2_13,AB2_cI72_199_c_2bc:Ce-Se,36.0,AB2_cI72_199_c_2bc:Ce-Se +mp-1080300,CeSe2,-6.074259785,-1.7659557482,0.1516095933,0.1114765926,GGA,Pa-3,AB2_cP12_205_a_c:Ce-Se,12.0,AB2_cP12_205_a_c:Ce-Se +mp-1080852,CeSe2,-5.7146548468,-1.40635081,0.5112145315000001,0.4710815308,GGA,Pa-3,AB2_cP72_205_d_2d:Ce-Se,72.0,AB2_cP72_205_d_2d:Ce-Se +mp-1096432,CeSe2,-5.7493221588,-1.441018122,0.4765472196,0.4364142188,GGA,Ia-3,AB2_cI144_206_e_2de:Ce-Se,72.0,AB2_cI144_206_e_2de:Ce-Se +mp-1087555,CeSe2,-5.4434969342,-1.1351928974,0.7823724442000001,0.7422394434,GGA,I432,AB2_cI72_211_i_hi:Ce-Se,36.0,AB2_cI72_211_i_hi:Ce-Se +mp-1080375,CeSe2,-5.7142746349,-1.4059705981,0.5115947435,0.4714617427,GGA,Pm-3n,AB2_cP72_223_j_jk:Ce-Se,72.0,AB2_cP72_223_j_jk:Ce-Se +mp-1080251,CeSe2,-6.2151404833,-1.9068364466,0.010728895,-0.0294041057,GGA,Fm-3m,AB2_cF12_225_a_c:Ce-Se,3.0,AB2_cF12_225_a_c:Ce-Se +mp-1080355,CeSe2,-5.7111687788,-1.402864742,0.5147005996,0.4745675988,GGA,Fm-3m,AB2_cF288_225_k_ghk:Ce-Se,72.0,AB2_cF288_225_k_ghk:Ce-Se +mp-1444174,CeSe2,-6.2147577011,-1.9064536643,0.0111116772,-0.0290213235,GGA,Fm-3m,AB2_cF12_225_a_c:Ce-Se,9.0,AB2_hR9_166_a_c:Ce-Se +mp-1080249,CeSe2,-5.6983441333,-1.3900400966,0.5275252450000001,0.4873922443,GGA,Fd-3m,AB2_cF24_227_a_c:Ce-Se,6.0,AB2_cF24_227_a_c:Ce-Se +mp-1080252,CeSe2,-5.01318583,-0.7048817932,1.2126835483,1.1725505476,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Se,6.0,AB2_cF24_227_a_d:Ce-Se +mp-1080293,CeSe2,-6.1525865075,-1.8442824707,0.0732828708,0.0331498701,GGA,Fd-3m,AB2_cF48_227_c_e:Ce-Se,12.0,AB2_cF48_227_c_e:Ce-Se +mp-1080360,CeSe2,-5.7156544533,-1.4073504166,0.510214925,0.4700819243,GGA,Fd-3m,AB2_cF96_227_e_cf:Ce-Se,24.0,AB2_cF96_227_e_cf:Ce-Se +mp-1100189,CeSe2,-5.6956428119,-1.3873387751,0.5302265665,0.4900935657,GGA,Fd-3m,AB2_cF408_227_aeg_efgh:Ce-Se,102.0,AB2_cF408_227_aeg_efgh:Ce-Se +mp-1080369,CeSe2,-5.7064583819,-1.3981543452,0.5194109964,0.4792779956,GGA,Ia-3d,AB2_cI72_230_d_g:Ce-Se,36.0,AB2_cI72_230_d_g:Ce-Se +mp-32578,Ce2Se3,-6.5730686197,-2.1022860712,0.0,-0.0471414422,GGA,I-42d,A2B3_tI80_122_cde_3e:Ce-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Ce-Se, expected Ce9Se16 to be Ce2Se3" +mp-567370,Ce3Se4,-6.6540648257,-2.1136486292,0.0,-0.0260705045,GGA,I-43d,A3B4_cI28_220_a_c:Ce-Se,14.0,A3B4_cI28_220_a_c:Ce-Se +mp-1232259,CeMgSe3,-5.093871503,-1.4896507754,0.256645108,0.256645108,GGA,C2/m,ABC3_mC20_12_i_g_ij:Ce-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:Ce-Mg-Se +mp-1232360,CeMgSe3,-5.2619867557,-1.6577660281000002,0.0885298553,0.0885298553,GGA,R-3,ABC3_hR30_148_c_c_f:Ce-Mg-Se,30.0,ABC3_hR30_148_c_c_f:Ce-Mg-Se +mp-1232108,Ce2MgSe4,-5.7898876014,-1.8684441342,0.0587292584,0.0587292584,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Ce-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Ce-Mg-Se +mp-1232053,Ce2MgSe4,-5.7324029232,-1.810959456,0.1162139366,0.1162139366,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ce-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Ce-Mg-Se +mp-1232101,Ce2MgSe4,-5.7691975129,-1.8477540456,0.079419347,0.079419347,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ce-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Ce-Mg-Se +mp-1232176,Ce2MgSe4,-5.6708084321,-1.7493649649,0.1778084277,0.1778084277,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Ce-Mg-Se,28.0,A2BC4_oP28_62_2c_c_2cd:Ce-Mg-Se +mp-1232042,Ce2MgSe4,-5.7774422136,-1.8559987463,0.0711746463,0.0711746463,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ce-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Ce-Mg-Se +mp-652044,Ce10Se19,-6.2784889603,-1.9421713871,0.0072423562,0.0072423562,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Ce-Se,58.0,"Invalid WP multiplicities - A10B19_tP58_86_3e11g_2a4e25g:Ce-Se, expected Ce5Se11 to be Ce10Se19" +mp-1008650,CeSe,-6.50890519,-1.7944048737,0.256403385,0.0550376769,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Se,2.0,AB_cP2_221_a_b:Ce-Se +mp-2563,CeSe,-6.765308575,-2.0508082587,0.0,-0.2013657081,GGA,Fm-3m,AB_cF8_225_a_b:Ce-Se,2.0,AB_cF8_225_a_b:Ce-Se +mp-1101985,TmRe2,-10.0812744992,-0.2929779014,0.0,-0.2929779014,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Tm,12.0,A2B_hP12_194_ah_f:Re-Tm +mp-1216766,Tm(Fe5Re)2,-8.8219305938,-0.0476919867,0.0199182983,0.0199182983,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Re-Tm,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Re-Tm +mp-1184708,GeBr2,-3.5275973067,-0.9512358017,0.0,-0.0111180583,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Ge,6.0,A2B_tP6_136_f_a:Br-Ge +mp-1185002,La3Br,-4.4777647825,-0.3875023712,0.4493226227,0.4493226227,GGA,Pm-3m,AB3_cP4_221_a_c:Br-La,4.0,AB3_cP4_221_a_c:Br-La +mp-23263,LaBr3,-4.8847544812,-2.4859814575,0.0,-0.3939189725,GGA,P6_3/m,A3B_hP8_176_h_c:Br-La,8.0,A3B_hP8_176_h_c:Br-La +mp-28571,La2Br5,-4.9105222486,-2.3909285543,0.0,-0.0152508393,GGA,P2_1/m,A5B2_mP14_11_5e_2e:Br-La,14.0,"Invalid WP multiplicities - A5B2_mP14_11_9e_2e:Br-La, expected La2Br9 to be La2Br5" +mp-672231,La3Ge3Br2,-5.3790825037,-1.4061873112,0.0,-0.037541196,GGA,C2/m,A2B3C3_mC32_12_2i_3i_3i:Br-Ge-La,16.0,"Invalid WP multiplicities - A2B3C3_mC32_12_4i_6i_4i:Br-Ge-La, expected La2Ge3Br2 to be La3Ge3Br2" +mp-28572,LaBr2,-4.90929398,-2.2286060583,0.002927259,0.002927259,GGA,P6_3/mmc,A2B_hP6_194_f_b:Br-La,6.0,A2B_hP6_194_f_b:Br-La +mp-27679,LaBr,-4.8208000175,-1.5762823,0.097367688,0.097367688,GGA,R-3m,AB_hR12_166_c_c:Br-La,4.0,AB_hR12_166_c_c:Br-La +mp-567604,GeBr4,-3.295169527,-1.128141292,0.0,-0.557399811,GGA,P2_1/c,A4B_mP20_14_4e_e:Br-Ge,20.0,"Invalid WP multiplicities - A4B_mP20_14_11e_e:Br-Ge, expected GeBr11 to be GeBr4" +mp-571246,GeBr4,-3.2926017567,-1.1255735217,0.0025677703,-0.5548320407,GGA,Pa-3,A4B_cP40_205_cd_c:Br-Ge,40.0,"Invalid WP multiplicities - A4B_cP40_205_7c8d_c:Br-Ge, expected GeBr31 to be GeBr4" +mp-30426,BaCdBi2,-3.1757331875,-0.5450224475000001,0.0,-0.0137989718,GGA,I4/mmm,AB2C_tI16_139_e_ce_d:Ba-Bi-Cd,8.0,"Invalid WP multiplicities - AB2C_tI16_139_e_2c2e_d:Ba-Bi-Cd, expected BaCdBi4 to be BaCdBi2" +mp-1183362,Ba3Bi,-2.8592779850000003,-0.4599244975,0.1494665458,0.1494665458,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Bi,8.0,A3B_hP8_194_h_c:Ba-Bi +mp-568744,Ba2Cd3Bi4,-2.9280942906,-0.4871414372,0.0,-0.0026770394,GGA,Cmce,A2B4C3_oC36_64_f_ef_ae:Ba-Bi-Cd,18.0,"Invalid WP multiplicities - A2B4C3_oC36_64_f_e2f_ae:Ba-Bi-Cd, expected Ba2(CdBi2)3 to be Ba2Cd3Bi4" +mp-569529,Ba2Bi3,-3.86773396,-0.7958505060000001,0.0,-0.0699393954,GGA,Immm,A2B3_oI10_71_e_cg:Ba-Bi,5.0,"Invalid WP multiplicities - A2B3_oI10_71_e_c2g:Ba-Bi, expected Ba2Bi5 to be Ba2Bi3" +mp-542293,Ba11Bi10,-3.7480153233,-0.9140336262,0.0,-0.0191319826,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Ba-Bi,42.0,A11B10_tI84_139_eh2n_dehim:Ba-Bi +mp-29621,Ba5Bi3,-3.5536293262000003,-0.914086565,0.0,-0.0621271828,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ba-Bi,16.0,A5B3_hP16_193_dg_g:Ba-Bi +mp-567872,Ba2Bi,-3.3484088333,-0.7889291633000001,0.0235922278,0.0235922278,GGA,I4/mmm,A2B_tI12_139_ce_e:Ba-Bi,6.0,"Invalid WP multiplicities - A2B_tI12_139_2ce_e:Ba-Bi, expected Ba3Bi to be Ba2Bi" +mp-607525,Ba11(Cd4Bi7)2,-3.162881443,-0.67019386,0.0,-0.0217416881,GGA,P-1,A11B14C8_aP33_2_a5i_7i_4i:Ba-Bi-Cd,33.0,"Invalid WP multiplicities - A11B14C8_mC66_12_a10i_14i_7i:Ba-Bi-Cd, expected Ba3(CdBi2)2 to be Ba11(Cd4Bi7)2" +mp-655147,Ba11(Cd4Bi7)2,-3.1150562785,-0.6223686955000001,0.0478251645,0.0260834765,GGA,C2/m,A11B14C8_mC66_12_a5i_7i_4i:Ba-Bi-Cd,33.0,"Invalid WP multiplicities - A11B14C8_mC66_12_a10i_14i_7i:Ba-Bi-Cd, expected Ba3(CdBi2)2 to be Ba11(Cd4Bi7)2" +mp-1228008,BaBi5,-3.7794175817,-0.2591808167,0.072814815,0.072814815,GGA,P2/m,AB5_mP6_10_a_emn:Ba-Bi,6.0,"Invalid WP multiplicities - AB5_mP6_10_c_e2m2n:Ba-Bi, expected BaBi9 to be BaBi5" +mp-30892,Ba4Bi3,-3.6754792564,-0.932998235,0.0,-0.0189396964,GGA,I-43d,A4B3_cI28_220_c_a:Ba-Bi,14.0,A4B3_cI28_220_c_a:Ba-Bi +mp-1215155,Ba21(Cd2Bi9)2,-3.5082795855,-0.8776089548,0.0,-0.0363949164,GGA,Cmce,A21B18C4_oC344_64_3f9g_de8f4g_2fg:Ba-Bi-Cd,172.0,A21B18C4_oC344_64_3f9g_de8f4g_2fg:Ba-Bi-Cd +mp-1013736,Ba3Bi2,-3.224806458,-0.537225842,0.385686169,0.385686169,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ba-Bi,5.0,A3B2_cP5_221_c_ab:Ba-Bi +mp-23201,BaBi3,-3.85810403,-0.4979934475,0.0,-0.0005868812,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-Bi,4.0,AB3_cP4_221_a_c:Ba-Bi +mp-1215568,Zr5Ir2Os,-9.5611548531,-0.6058124856,0.0287810463,0.0287810463,GGA,Amm2,A2BC5_oC32_38_abd_e_abdef:Ir-Os-Zr,16.0,A2BC5_oC32_38_abd_e_abdef:Ir-Os-Zr +mp-1223655,IrOs,-10.016823445,0.01607736,0.01607736,0.01607736,GGA,P-6m2,AB_hP2_187_a_d:Ir-Os,2.0,AB_hP2_187_a_d:Ir-Os +mp-1184761,Ir3Os,-9.4139901025,0.02167739,0.02167739,0.02167739,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Os,4.0,A3B_cP4_221_c_a:Ir-Os +mp-1223677,Ir4Os,-9.289635618,0.026585212,0.026585212,0.026585212,GGA,R-3m,A4B_hR15_166_2c_a:Ir-Os,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ir-Os, expected Ir6Os to be Ir4Os" +mp-1184496,Gd3Lu,-11.6925204787,-0.0051911688,0.0,-0.0051911688,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Lu,8.0,A3B_hP8_194_h_c:Gd-Lu +mp-1184522,GdLuCu2,-6.9450866725,-0.2462151475,0.0,-0.0254962337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Gd-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-Gd-Lu +mp-1219262,ScInPd2,-5.6181870475,-0.7572079338000001,0.076169615,-0.0229960123,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Pd-Sc,4.0,AB2C_tP4_123_a_h_b:In-Pd-Sc +mp-31339,ScInPd2,-5.6943566625,-0.8333775487,0.0,-0.0991656273,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:In-Pd-Sc +mp-1209130,Sc2InPd2,-5.9746750325,-0.8193979205,0.0,-0.0363651885,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Pd-Sc,20.0,AB2C2_tP20_136_d_j_fg:In-Pd-Sc +mp-1186478,Pm2TlHg,-3.4677574575,-0.4259054183,0.0,-0.1490351354,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pm-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Pm-Tl +mp-1209285,PrSbIr,-6.7650670608,-0.8489533358,0.037123456,0.037123456,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Pr-Sb,12.0,ABC_oP12_62_c_c_c:Ir-Pr-Sb +mp-1202719,Pr2Sb4Ir3,-6.5505666158,-0.7068867258,0.0534934046,0.0534934046,GGA,Pnma,A3B2C4_oP36_62_3c_2c_4c:Ir-Pr-Sb,36.0,A3B2C4_oP36_62_3c_2c_4c:Ir-Pr-Sb +mp-2205,LuPd,-5.82472381,-0.974307645,0.0,-0.0992886781,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Pd,2.0,AB_cP2_221_a_b:Lu-Pd +mp-1009007,LuSb,-5.085740755,-0.760764875,0.34954244,-0.0178772735,GGA,Pm-3m,AB_cP2_221_a_b:Lu-Sb,2.0,AB_cP2_221_a_b:Lu-Sb +mp-516,LuSb,-5.435283195,-1.110307315,0.0,-0.3674197135,GGA,Fm-3m,AB_cF8_225_a_b:Lu-Sb,2.0,AB_cF8_225_a_b:Lu-Sb +mp-865447,LuSbPd2,-5.619427275,-0.86699843,0.01413198,0.01413198,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Lu-Pd-Sb +mp-569251,Lu7Sb3,-5.1097830502,-0.7064173142,0.006736193,0.006736193,GGA,I4/mcm,A7B3_tI80_140_ab2kl_hj:Lu-Sb,40.0,"Invalid WP multiplicities - A7B3_tI80_140_2a2b15k7l_3h4j:Lu-Sb, expected Lu46Sb11 to be Lu7Sb3" +mp-973615,LuSb3,-4.6727675962,-0.4457790363,0.1093746213,0.1093746213,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Sb,8.0,AB3_hP8_194_c_h:Lu-Sb +mp-1103963,Lu3Pd4,-5.8975043621,-1.0000216764,0.0,-0.035995035,GGA,R-3,A3B4_hR42_148_f_abf:Lu-Pd,14.0,A3B4_hR42_148_f_abf:Lu-Pd +mp-15846,Lu5SbPd2,-5.4317891063,-0.7950994238,0.0,-0.0107983066,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Lu-Pd-Sb,16.0,A5B2C_tI32_140_cl_h_a:Lu-Pd-Sb +mp-1008902,LuSb2,-4.5753059067,-0.3156549067,0.42454997,0.42454997,GGA,C222,AB2_oC6_21_a_k:Lu-Sb,3.0,AB2_oC6_21_a_k:Lu-Sb +mp-1158,LuPd3,-5.95347312,-0.9383241325,0.0,-0.3549781546,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Pd,4.0,AB3_cP4_221_a_c:Lu-Pd +mp-543051,Lu5Sb3,-5.2654114241,-0.8914418841,0.0,-0.0335658195,GGA,Pnma,A5B3_oP32_62_3cd_cd:Lu-Sb,32.0,A5B3_oP32_62_3cd_cd:Lu-Sb +mp-1147778,CoGeAs2,-5.2332132862,0.0291823288,0.27352469,0.27352469,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Co-Ge,8.0,A2BC_tI16_122_d_a_b:As-Co-Ge +mp-1220160,NdGa3Pt,-4.708863812,-0.724150048,0.0,-0.0104658802,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-Nd-Pt,5.0,A3BC_tI10_119_af_c_b:Ga-Nd-Pt +mp-1106252,Nd5Ga3,-4.5492988962,-0.4336707425,0.0148512351,0.0148512351,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ga-Nd,16.0,A3B5_tI32_140_ah_cl:Ga-Nd +mp-2524,NdGa2,-4.3010615733,-0.6929484142,0.0,-0.1148583058,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Nd,3.0,A2B_hP3_191_c_b:Ga-Nd +mp-1203103,Nd3Ga2,-4.5505503113,-0.4784234428,0.0,-0.0059501332,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Nd,40.0,A2B3_tI80_140_achl_ghm:Ga-Nd +mp-1448,NdGa,-4.48630159,-0.5881798625,0.0,-0.0293095555,GGA,Cmcm,AB_oC8_63_c_c:Ga-Nd,4.0,AB_oC8_63_c_c:Ga-Nd +mp-1220219,NdGa2Pt3,-5.7306217367,-0.8909984971,0.0,-0.0614005133,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Ga-Nd-Pt,6.0,A2BC3_hP6_191_c_a_g:Ga-Nd-Pt +mp-1103572,NdGaPt,-5.6428840592,-1.0204251342,0.0,-0.1108483536,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Nd-Pt,12.0,ABC_oP12_62_c_c_c:Ga-Nd-Pt +mp-864621,NdGa3,-4.0361541062,-0.5730452312000001,0.0,-0.0329709522,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Nd,8.0,A3B_hP8_194_h_c:Ga-Nd +mp-567454,NdGa3,-3.9821824825,-0.5190736075,0.0539716237,0.0210006716,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Nd,4.0,A3B_cP4_221_c_a:Ga-Nd +mp-569382,Nd3Ga,-4.568463965,-0.235329385,0.0636852667,0.0636852667,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Nd,4.0,AB3_cP4_221_a_c:Ga-Nd +mp-1104008,NdGa6,-3.620196615,-0.3435218196,0.0,-0.0160674018,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Nd,14.0,A6B_tP14_125_gm_c:Ga-Nd +mp-1209933,Nd9Ga4,-4.5984142592,-0.3656672606,0.0023507723,0.0023507723,GGA,I4/m,A4B9_tI26_87_h_a2h:Ga-Nd,13.0,A4B9_tI26_87_h_a2h:Ga-Nd +mp-1096410,LaAg2Hg,-1.4871981375,1.2390017317,1.5444346017,1.5444346017,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Hg-La,4.0,A2BC_oI8_71_e_a_b:Ag-Hg-La +mp-1184971,LaAg2Hg,-3.001585615,-0.2753857458,0.0300471242,0.0300471242,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Hg-La,4.0,A2BC_cF16_225_c_a_b:Ag-Hg-La +mp-1223062,LaAg5,-3.2579399642,-0.0748087772,0.0755658675,0.0755658675,GGA,P-3m1,A5B_hP12_164_abdi_d:Ag-La,12.0,A5B_hP12_164_abdi_d:Ag-La +mp-1025059,LaAg2,-3.83445566,-0.3007492894,0.0,-0.0859677283,GGA,Imma,A2B_oI12_74_h_e:Ag-La,6.0,A2B_oI12_74_h_e:Ag-La +mp-1093723,La2AgHg,-1.416220095,1.8358425496,2.22588692,2.2127996725,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Hg-La,4.0,ABC2_oI8_71_a_b_e:Ag-Hg-La +mp-1185100,La2AgHg,-3.642107015,-0.3900443704,0.0,-0.0130872475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-La,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-La +mp-867245,LaAgHg2,-2.4792847325,-0.3853037729,0.0,-0.0194771472,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-La,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-La +mp-1948,LaAg,-4.13843794,-0.2541563858,0.0,-0.0285944187,GGA,Pm-3m,AB_cP2_221_a_b:Ag-La,2.0,AB_cP2_221_a_b:Ag-La +mp-978254,La3Ag,-4.42599641,-0.0158520804,0.1112261125,0.1112261125,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-La,8.0,AB3_hP8_194_c_h:Ag-La +mp-1184993,La3Ag,-4.4148072975,-0.0046629679,0.122415225,0.122415225,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-La,4.0,AB3_cP4_221_a_c:Ag-La +mp-1185024,LaAg3,-3.5535129275,-0.1950941487,0.0304678183,0.0304678183,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-La,4.0,A3B_cF16_225_ac_b:Ag-La +mp-1208066,TmCu5Sn,-4.3895446261,-0.249338822,0.0,-0.0208639746,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sn-Tm,28.0,A5BC_oP28_62_3cd_c_c:Cu-Sn-Tm +mp-573877,Tm3(CuSn)4,-4.49902979,-0.3297006655,0.1433452364,0.1121869244,GGA,C2/m,A4B4C3_mC22_12_2i_2i_ai:Cu-Sn-Tm,11.0,A4B4C3_oI22_71_n_fg_ae:Cu-Sn-Tm +mp-1095591,Tm3(CuSn)4,-4.6423750264,-0.4730459018,0.0,-0.0311583119,GGA,C2/m,A4B4C3_mC22_12_2i_2i_ai:Cu-Sn-Tm,11.0,A4B4C3_mC22_12_2i_2i_ai:Cu-Sn-Tm +mp-1101786,Tm3(CuSn)4,-4.64021998,-0.4708908555,0.0021550464,-0.0290032656,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Tm,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Tm +mp-1077167,TmCuSn,-4.7217473983,-0.5268760822,0.0,-0.0339921533,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Sn-Tm,6.0,ABC_hP6_194_c_d_a:Cu-Sn-Tm +mp-1186306,NdGaAu2,-4.2007332825,-0.6147314187,0.0568497492,0.0568497492,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Nd,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Nd +mp-1220399,Nd2Ga5Au3,-3.967331354,-0.5174892562,0.0829515644,0.0829515644,GGA,P-4m2,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Nd,10.0,A3B5C2_tP10_115_ag_bcdg_g:Au-Ga-Nd +mp-1220156,NdGa3Au,-4.024417998,-0.5991544980000001,0.0,-0.0736118399,GGA,I4mm,AB3C_tI10_107_a_ab_a:Au-Ga-Nd,5.0,AB3C_tI10_107_a_ab_a:Au-Ga-Nd +mp-1185688,Mg16Al12Os,-2.8325518959,-0.0125947169,0.0755390251,0.0755390251,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Os,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Os, expected Mg49Al39Os to be Mg16Al12Os" +mp-30686,Zr2Ga3,-5.850735317,-0.6147974515,0.0,-0.007768767,GGA,Fdd2,A3B2_oF40_43_ab_b:Ga-Zr,10.0,A3B2_oF40_43_ab_b:Ga-Zr +mp-1022463,Mg6ZrGa,-2.6669242375,-0.0197396184,0.1536515951,0.1536515951,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Zr, expected Mg12ZrGa to be Mg6ZrGa" +mp-1022479,Mg6ZrGa,-2.6695967381,-0.0224121191,0.1509790945,0.1509790945,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Zr, expected Mg12ZrGa to be Mg6ZrGa" +mp-1207393,Zr3Ga5,-5.7001310163,-0.6021832659,0.0,-0.0049150587,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Ga-Zr,16.0,A5B3_oC32_63_cfg_ce:Ga-Zr +mp-30683,ZrGa2,-5.436017025,-0.5680528,0.0,-0.003246365,GGA,Cmmm,A2B_oC12_65_acg_h:Ga-Zr,6.0,A2B_oC12_65_acg_h:Ga-Zr +mp-1188336,Zr5Ga4,-6.6463011494,-0.5517581228,0.0304747989,0.0304747989,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Ga-Zr,18.0,A4B5_hP18_193_bg_dg:Ga-Zr +mp-1106169,Zr5Ga3,-6.9836259044,-0.5057770022,0.0103465181,0.0103465181,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Zr,16.0,A3B5_hP16_193_g_dg:Ga-Zr +mp-30685,ZrGa3,-4.889454175,-0.4814570006,0.0085957725,-0.0554174006,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Zr,4.0,"Invalid WP multiplicities - A3B_tI8_139_a2d_b:Ga-Zr, expected ZrGa5 to be ZrGa3" +mp-1080001,ZrGa3,-4.8980499475,-0.4900527731,0.0,-0.0640131731,GGA,I4/mmm,A3B_tI16_139_cde_e:Ga-Zr,8.0,A3B_tI16_139_cde_e:Ga-Zr +mp-1188008,Zr3Ga,-7.5045580425,-0.3367585644,0.0118747613,0.0118747613,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Zr,4.0,AB3_cP4_221_a_c:Ga-Zr +mp-30684,Zr3Ga2,-6.886749759,-0.546890972,0.0,-0.0169872985,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ga-Zr,10.0,A2B3_tP10_127_g_ah:Ga-Zr +mp-1027863,Mg14ZrGa,-2.1392977894,-0.0155654548,0.0823225679,0.0823225679,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Zr, expected Mg18ZrGa to be Mg14ZrGa" +mp-1027854,Mg14ZrGa,-2.1292822681,-0.0055499336,0.0923380891,0.0923380891,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Zr, expected Mg26ZrGa to be Mg14ZrGa" +mp-30682,ZrGa,-6.414308685,-0.6264103588000001,0.0,-0.045566147,GGA,I4_1/amd,AB_tI16_141_e_e:Ga-Zr,8.0,AB_tI16_141_e_e:Ga-Zr +mp-569833,Zr2Ga,-7.1726768617,-0.4648444342,0.0,-0.0091019575,GGA,I4/mcm,AB2_tI12_140_a_h:Ga-Zr,6.0,AB2_tI12_140_a_h:Ga-Zr +mp-1205835,TbMgGa,-3.5826183856,-0.4950376614,0.0,-0.0689477788,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Tb,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Tb +mp-542816,Zr5SiSb3,-7.5852996594,-0.8574302261000001,0.0,-0.0496612124,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Sb-Si-Zr,18.0,A3BC5_hP18_193_g_b_dg:Sb-Si-Zr +mp-1215356,Zr4Si3Sb5,-6.5719609917,-0.6459807575000001,0.0033200654,0.0033200654,GGA,P-4m2,A5B3C4_tP12_115_a2g_bcd_2g:Sb-Si-Zr,12.0,"Invalid WP multiplicities - A5B3C4_tP12_115_a3g_bcd_3g:Sb-Si-Zr, expected Zr6Si3Sb7 to be Zr4Si3Sb5" +mp-972794,SiSb3,-4.1240789237,0.3290015137,0.3290015137,0.3290015137,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sb-Si,8.0,A3B_hP8_194_h_c:Sb-Si +mp-505627,Nb3Co2Si,-8.6881834392,-0.3638719825,0.0521821215,0.0521821215,GGA,Fd-3m,A2B3C_cF96_227_e_f_c:Co-Nb-Si,24.0,A2B3C_cF96_227_e_f_c:Co-Nb-Si +mp-1220933,Nb4Co3Si7,-7.5465995268,-0.4246424014,0.2028672548,0.2028672548,GGA,F222,A3B4C7_oF112_22_h2j_egk_efghik:Co-Nb-Si,28.0,A3B4C7_oF112_22_h2j_egk_efghik:Co-Nb-Si +mp-10003,Nb4CoSi,-9.1640110442,-0.34086838,0.0127759987,0.0127759987,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Co-Nb-Si,12.0,AB4C_tP12_124_a_m_c:Co-Nb-Si +mp-1078996,Nb3Si2,-8.84814345,-0.6172332140000001,0.0224444127,0.0224444127,GGA,P4/mbm,A3B2_tP10_127_ah_g:Nb-Si,10.0,A3B2_tP10_127_ah_g:Nb-Si +mp-541938,Nb6Co16Si7,-7.8528723745,-0.5315571617,0.0,-0.0476983475,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Co-Nb-Si,29.0,A16B6C7_cF116_225_2f_e_ad:Co-Nb-Si +mp-1220588,Nb3Si,-9.114687995,-0.1823797075,0.2526825629,0.2526825629,GGA,Cmmm,A3B_oC8_65_bk_c:Nb-Si,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Nb-Si, expected Nb5Si to be Nb3Si" +mp-1205390,Nb3Si,-9.3186474019,-0.3863391144,0.048723156,0.048723156,GGA,I-4,A3B_tI32_82_3g_g:Nb-Si,16.0,A3B_tI32_82_3g_g:Nb-Si +mp-17848,Nb3Si,-9.3532568191,-0.4209485316,0.0141137389,0.0141137389,GGA,P4_2/n,A3B_tP32_86_3g_g:Nb-Si,32.0,A3B_tP32_86_3g_g:Nb-Si +mp-1220602,Nb3Si,-8.86684869,0.0654595975,0.5005218679,0.5005218679,GGA,P-6m2,A3B_hP4_187_ai_d:Nb-Si,4.0,A3B_hP4_187_ai_d:Nb-Si +mp-1004,Nb3Si,-9.1478002075,-0.21549192,0.2195703504,0.2195703504,GGA,Pm-3m,A3B_cP4_221_c_a:Nb-Si,4.0,A3B_cP4_221_c_a:Nb-Si +mp-10229,Nb3Si,-9.2555658325,-0.323257545,0.1118047254,0.1118047254,GGA,Pm-3n,A3B_cP8_223_c_a:Nb-Si,8.0,A3B_cP8_223_c_a:Nb-Si +mp-567996,Nb5Si3,-8.9593816894,-0.6115717781000001,0.0410216275,-0.0270526779,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Nb-Si,16.0,"Invalid WP multiplicities - A5B3_tI32_140_2b2k_a2h:Nb-Si, expected Nb2Si to be Nb5Si3" +mp-13686,Nb5Si3,-9.0004033169,-0.6525934056,0.0,-0.0680743054,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Nb-Si,16.0,A5B3_tI32_140_cl_ah:Nb-Si +mp-567871,Nb5Si3,-8.9004662494,-0.5526563381,0.0999370675,0.0318627621,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Nb-Si,16.0,"Invalid WP multiplicities - A5B3_hP16_193_4d4g_g:Nb-Si, expected Nb20Si3 to be Nb5Si3" +mp-1196553,Nb13Co40Si31,-7.5110448093,-0.5606336635,0.0346239393,0.0346239393,GGA,P6/mmm,A40B13C31_hP168_191_djlm2oqr_elmn_cij2k2op:Co-Nb-Si,168.0,A40B13C31_hP168_191_djlm2oqr_elmn_cij2k2op:Co-Nb-Si +mp-2478,NbSi2,-7.485886157799999,-0.5019057911,3.5267e-06,-0.1538559748,GGA,P6_222,AB2_hP9_180_c_i:Nb-Si,9.0,AB2_hP9_180_c_i:Nb-Si +mp-12104,NbSi2,-7.4858896844,-0.5019093178,0.0,-0.1538595014,GGA,P6_422,AB2_hP9_181_c_i:Nb-Si,9.0,AB2_hP9_181_c_i:Nb-Si +mp-1210174,Nb2Co2Si3,-7.7732383336,-0.5310669393,0.1384334655,0.1384334655,GGA,I4/mmm,A2B2C3_tI56_139_k_hi_cehj:Co-Nb-Si,28.0,A2B2C3_tI56_139_k_hi_cehj:Co-Nb-Si +mp-1220724,Nb3Co8Si,-7.8543339133,-0.1380192875,0.1533516018,0.1533516018,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Co-Nb-Si,12.0,A8B3C_hP12_156_2b2d_a2c_a:Co-Nb-Si +mp-1220858,Nb3Co8Si,-7.8502115533,-0.1338969275,0.1574739618,0.1574739618,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Co-Nb-Si,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Co-Nb-Si, expected Nb3Co20Si to be Nb3Co8Si" +mp-10366,Nb2Co3Si,-8.266609945,-0.4411296958,0.0,-0.0058710483,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Co-Nb-Si,12.0,A3B2C_hP12_194_h_f_a:Co-Nb-Si +mp-984586,Nb4Co4Si7,-7.7754329003,-0.6543850637,0.0,-0.0340889658,GGA,I4/mmm,A4B4C7_tI60_139_k_hi_ehij:Co-Nb-Si,30.0,A4B4C7_tI60_139_k_hi_ehij:Co-Nb-Si +mp-1095573,NbCoSi,-8.2522690458,-0.7072887575,0.0,-0.1127482886,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Nb-Si,12.0,ABC_oP12_62_c_c_c:Co-Nb-Si +mp-631478,IrPbBr,-3.9242278967,0.7771419633000001,1.4518032563,1.4518032563,GGA,F-43m,ABC_cF12_216_a_b_c:Br-Ir-Pb,3.0,ABC_cF12_216_a_b_c:Br-Ir-Pb +mp-27397,IrBr3,-4.1457931275,-0.7714133350000001,0.0,-0.7714133350000001,GGA,C2/m,A3B_mC16_12_ij_g:Br-Ir,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Br-Ir, expected IrBr5 to be IrBr3" +mp-510198,IrPb,-6.0292640025,0.2462766225,0.2462766225,0.2462766225,GGA,P6_3/mmc,AB_hP4_194_a_c:Ir-Pb,4.0,AB_hP4_194_a_c:Ir-Pb +mp-1184797,Ir3Pb,-7.0958703275,0.461117075,0.461117075,0.461117075,GGA,I4/mmm,A3B_tI8_139_ad_b:Ir-Pb,4.0,A3B_tI8_139_ad_b:Ir-Pb +mp-1184777,Ir3Pb,-7.11066227,0.4463251325,0.4463251325,0.4463251325,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Pb,4.0,A3B_cP4_221_c_a:Ir-Pb +mp-28077,PbBr2,-3.5950443083,-1.322143065,0.0271795208,-1.322143065,GGA,Pnma,A2B_oP12_62_2c_c:Br-Pb,12.0,A2B_oP12_62_2c_c:Br-Pb +mp-2456335,PbBr2,-3.6222238292,-1.3493225858,0.0,-1.3493225858,GGA,Cmce,A2B_oC12_64_f_a:Br-Pb,12.0,A2B_oC12_64_f_a:Br-Pb +mp-862868,PbBr2,-3.611332945,-1.3384317017,0.0108908842,-1.3384317017,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Pb,6.0,A2B_tP6_136_f_a:Br-Pb +mp-30594,Cu4Pd,-4.3850441305,-0.0697024325,0.0142397455,0.0142397455,GGA,P4_2/m,A4B_tP20_84_afjk_j:Cu-Pd,20.0,A4B_tP20_84_afjk_j:Cu-Pd +mp-1225685,CuNiPd,-4.98318162,0.0365601,0.1187759133,0.1187759133,GGA,P3m1,ABC_hP3_156_a_b_c:Cu-Ni-Pd,3.0,ABC_hP3_156_a_b_c:Cu-Ni-Pd +mp-680639,Cu3Pd,-4.4728917232,-0.1035162682,0.0014114543,-0.0246763946,GGA,P4mm,A3B_tP28_99_3a4b7c_4a3b:Cu-Pd,28.0,"Invalid WP multiplicities - A3B_tP28_99_3a4b13c_4a3b:Cu-Pd, expected Cu33Pd7 to be Cu3Pd" +mp-672265,Cu3Pd,-4.4739110668,-0.1045356118,0.0003921107,-0.0256957382,GGA,P4/mmm,A3B_tP28_123_aeg2h3i_c2gh:Cu-Pd,28.0,"Invalid WP multiplicities - A3B_tP28_123_ae2g4h11i_c4g2h:Cu-Pd, expected Cu59Pd13 to be Cu3Pd" +mp-580357,Cu3Pd,-4.4743031775,-0.1049277225,0.0,-0.0260878489,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Pd,4.0,A3B_cP4_221_c_a:Cu-Pd +mp-1220057,NiPd,-5.421818965,0.05819028,0.05819028,0.05819028,GGA,R-3m,AB_hR6_166_a_b:Ni-Pd,2.0,AB_hR6_166_a_b:Ni-Pd +mp-1095798,CuNiPd2,-2.6858930975,2.3738836450000003,2.4377479913,2.4377479913,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ni-Pd,4.0,ABC2_oI8_71_a_b_e:Cu-Ni-Pd +mp-1184119,CuPd3,-4.9757798575,-0.0660668325,0.0,-0.0044049725,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Pd,4.0,AB3_tI8_139_a_bd:Cu-Pd +mp-1225656,CuPd,-4.67510623,-0.03556199,0.08776173,0.0592086743,GGA,Cmmm,AB_oC4_65_a_c:Cu-Pd,2.0,AB_oC4_65_a_c:Cu-Pd +mp-1225701,CuPd,-4.731684085,-0.092139845,0.031183875,0.0026308193,GGA,R-3m,AB_hR6_166_a_b:Cu-Pd,2.0,AB_hR6_166_a_b:Cu-Pd +mp-1018029,CuPd,-4.76286796,-0.12332372,0.0,-0.0285530557,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Pd,2.0,AB_cP2_221_a_b:Cu-Pd +mp-973983,NiPd3,-5.262244975,0.0677005525,0.0677005525,0.0677005525,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Pd,8.0,AB3_hP8_194_c_h:Ni-Pd +mp-1225751,Cu3Pd2,-4.637728923,-0.106252197,0.009713124,0.009713124,GGA,P4/mmm,A3B2_tP10_123_ad2g_2h:Cu-Pd,10.0,"Invalid WP multiplicities - A3B2_tP10_123_ad4g_3h:Cu-Pd, expected Cu5Pd3 to be Cu3Pd2" +mp-1222259,LuTh,-5.94295434,0.024450045,0.024450045,0.024450045,GGA,R-3m,AB_hR6_166_a_b:Lu-Th,2.0,AB_hR6_166_a_b:Lu-Th +mp-973556,LuTh3,-6.65600912,0.0346221975,0.0346221975,0.0346221975,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Th,4.0,AB3_cP4_221_a_c:Lu-Th +mp-865410,LuThRu2,-8.1264379275,-0.505534465,0.0,-0.0029169237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Th,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Th +mp-973339,Lu3Th,-5.2050771975,0.039100255,0.039100255,0.039100255,GGA,I4/mmm,A3B_tI8_139_ad_b:Lu-Th,4.0,A3B_tI8_139_ad_b:Lu-Th +mp-1222322,Lu3Th,-5.2122921825,0.03188527,0.03188527,0.03188527,GGA,P-6m2,A3B_hP4_187_ah_b:Lu-Th,4.0,A3B_hP4_187_ah_b:Lu-Th +mp-1185525,Lu3Th,-5.2133249588,0.0308524938,0.0308524938,0.0308524938,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Th,8.0,A3B_hP8_194_h_c:Lu-Th +mp-1184835,HoTmAg2,-4.0207722625,-0.3399331875,0.006083385,0.006083385,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ho-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Ho-Tm +mp-1183339,BaBr3,-3.5434978188,-1.8989828362,0.0785139687,0.0785139687,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Br,8.0,AB3_hP8_194_c_h:Ba-Br +mp-23317,AsBr3,-3.2555539213,-0.9260030725,0.0,-0.9260030725,GGA,P2_12_12_1,AB3_oP16_19_a_3a:As-Br,16.0,AB3_oP16_19_a_3a:As-Br +mp-27456,BaBr2,-4.31167294,-2.6366624067,0.0,-0.9486776633,GGA,Pnma,AB2_oP12_62_c_2c:Ba-Br,12.0,AB2_oP12_62_c_2c:Ba-Br +mp-1096666,Ba2AsBr,-3.0112624175,-0.4987382638,1.1568075848,1.1568075848,GGA,Immm,AB2C_oI8_71_a_e_b:As-Ba-Br,4.0,AB2C_oI8_71_a_e_b:As-Ba-Br +mp-1095909,LiTa2Re,-5.3001579625,4.2170933654,4.3761280304,4.3761280304,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Li-Re-Ta +mp-983152,Li3Re,-3.7068246775,0.8359992687000001,0.8359992687000001,0.8359992687000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Re,8.0,A3B_hP8_194_h_c:Li-Re +mp-1185410,LiRe3,-9.6036984375,0.2069276679,0.2069276679,0.2069276679,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Re,4.0,AB3_cF16_225_a_bc:Li-Re +mp-1183520,Ca3Lu,-2.48623552,0.14820202,0.14820202,0.14820202,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Lu,8.0,A3B_hP8_194_h_c:Ca-Lu +mp-1183480,Ca3Lu,-2.4825491575,0.1518883825,0.1518883825,0.1518883825,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Lu,4.0,A3B_cP4_221_c_a:Ca-Lu +mp-861869,CaLuRh2,-5.9863483725,-0.6725568375000001,0.017421998,0.017421998,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Lu-Rh +mp-1103212,TaRh2,-9.4331948325,-0.5710637092,0.0,-0.0428936247,GGA,Pnma,A2B_oP12_62_2c_c:Rh-Ta,12.0,A2B_oP12_62_2c_c:Rh-Ta +mp-1093812,TaInRh2,-5.0548236575,2.2796956175,2.7324277403,2.7324277403,GGA,Immm,AB2C_oI8_71_a_e_b:In-Rh-Ta,4.0,AB2C_oI8_71_a_e_b:In-Rh-Ta +mp-1020,TaRh3,-9.081866655,-0.594191345,0.0,-0.1658935631,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-Ta,4.0,A3B_cP4_221_c_a:Rh-Ta +mp-552,Th3Sb4,-6.5749501850000005,-1.0381530836,0.0,-0.0819776486,GGA,I-43d,A4B3_cI28_220_c_a:Sb-Th,14.0,A4B3_cI28_220_c_a:Sb-Th +mp-10637,ThSb,-6.68229616,-0.910866415,0.08840687,-0.0024824669,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Th,2.0,AB_cP2_221_a_b:Sb-Th +mp-1751,ThSb,-6.77070303,-0.999273285,0.0,-0.0908893369,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Th,2.0,AB_cF8_225_a_b:Sb-Th +mp-1207006,Th2Sb3,-2.836148058,2.606795986,3.603116635,3.603116635,GGA,P4/mmm,A3B2_tP5_123_ag_g:Sb-Th,5.0,A3B2_tP5_123_ag_g:Sb-Th +mp-10623,ThSbRh,-7.3569336667,-1.0545445467,0.0,-0.1627717822,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sb-Th,3.0,ABC_cF12_216_c_a_b:Rh-Sb-Th +mp-7568,ThSb2,-6.1226652117,-0.8987116350000001,0.0,-0.0912592367,GGA,P4/nmm,A2B_tP6_129_ac_c:Sb-Th,6.0,A2B_tP6_129_ac_c:Sb-Th +mp-1204216,Eu3Ge13Os4,-7.041295389,-0.2523035272,0.0438322335,0.0438322335,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Eu-Ge-Os,40.0,A3B13C4_cP40_223_c_ak_e:Eu-Ge-Os +mp-570369,Ce16Ru9,-7.4645315302,-0.3285695566,0.0,-0.0084829857,GGA,R-3m,A16B9_hR150_166_abfg3h_3h:Ce-Ru,50.0,"Invalid WP multiplicities - A16B9_hR150_166_ab5f6g16h_12h:Ce-Ru, expected Ce41Ru18 to be Ce16Ru9" +mp-672261,Ce3Ru,-6.9680362338,-0.1996187325,0.0285545707,0.0285545707,GGA,Pnma,A3B_oP16_62_cd_c:Ce-Ru,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c4d_c:Ce-Ru, expected Ce11Ru to be Ce3Ru" +mp-1106354,Ce7Ni3,-6.057917449,-0.1707140365,0.0179053685,0.0179053685,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Ni,20.0,A7B3_hP20_186_b2c_c:Ce-Ni +mp-580354,CeNi3,-6.2090040854,-0.3906292867,0.0,-0.0131075503,GGA,P6_3/mmc,AB3_hP24_194_cf_abdk:Ce-Ni,24.0,"Invalid WP multiplicities - AB3_hP24_194_cf_2a2b2d5k:Ce-Ni, expected CeNi12 to be CeNi3" +mp-1214244,Ce4Ni,-5.617836804,0.284661856,0.410408126,0.410408126,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Ni,10.0,A4B_cF40_227_e_a:Ce-Ni +mp-31164,Ce7Ru3,-7.208806914,-0.2733237435,0.0004842203,0.0004842203,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ce-Ru,20.0,"Invalid WP multiplicities - A7B3_hP20_186_b3c_c:Ce-Ru, expected Ce10Ru3 to be Ce7Ru3" +mp-1204381,Ce2Ni7,-6.1917257197,-0.3775996008,0.0,-0.0022527894,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:Ce-Ni,36.0,A2B7_hP36_194_2f_aefhk:Ce-Ni +mp-21188,CeNi,-6.1709785925,-0.314365675,0.0,-0.0309400066,GGA,Cmcm,AB_oC8_63_c_c:Ce-Ni,4.0,AB_oC8_63_c_c:Ce-Ni +mp-570629,Ce4Ru3,-7.738610407899999,-0.3735298021,0.0,-0.0550622189,GGA,C2/m,A4B3_mC28_12_gij_ij:Ce-Ru,14.0,"Invalid WP multiplicities - A4B3_mC28_12_2g2i3j_2i3j:Ce-Ru, expected Ce5Ru4 to be Ce4Ru3" +mp-1214027,Ce4Ru,-6.361565687,0.239786145,0.4223247876,0.4223247876,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Ru,10.0,A4B_cF40_227_e_a:Ce-Ru +mp-1910,CeNi5,-6.15041062,-0.3447818608,0.0,-0.0615821602,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Ni,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ce-Ni, expected CeNi8 to be CeNi5" +mp-1654,CeNi2,-6.2084728667,-0.3773520283,0.0,-0.0049951149,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Ni,6.0,AB2_cF24_227_a_d:Ce-Ni +mp-607,CeRu2,-8.4440226983,-0.2833912867,0.0,-0.0654989021,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Ru,6.0,AB2_cF24_227_a_d:Ce-Ru +mp-1226785,Ce2NiRu3,-7.91268435,-0.3344305817,0.0,-0.0201978549,GGA,R-3m,A2BC3_hR18_166_c_a_d:Ce-Ni-Ru,6.0,A2BC3_hR18_166_c_a_d:Ce-Ni-Ru +mp-1229288,Ce15Ni32,-6.2062436377,-0.377292338,0.0023196492,0.0023196492,GGA,F-43m,A15B32_cF188_216_a2eg_2e2h:Ce-Ni,47.0,A15B32_cF188_216_a2eg_2e2h:Ce-Ni +mp-1095082,InRu3,-7.3341638987,0.3095589388,0.3564683513,0.3564683513,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Ru,8.0,AB3_hP8_194_c_h:In-Ru +mp-867958,TaInRu2,-8.6186468775,-0.3290802675,0.0,-0.1062895625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:In-Ru-Ta +mp-672326,In3Ru,-4.5227882425,-0.14042481,0.0003034275,-0.14042481,GGA,P-4n2,A3B_tP16_118_ei_f:In-Ru,16.0,"Invalid WP multiplicities - A3B_tP16_118_3e2i_f:In-Ru, expected In7Ru to be In3Ru" +mp-607450,In3Ru,-4.52309167,-0.1407282375,0.0,-0.1407282375,GGA,P4_2/mnm,A3B_tP16_136_cj_f:In-Ru,16.0,A3B_tP16_136_cj_f:In-Ru +mp-981381,Tm2TlHg,-3.28549652,-0.3809979304,0.0,-0.0009182375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Tl-Tm,4.0,ABC2_cF16_225_a_b_c:Hg-Tl-Tm +mp-865327,TmHg3,-1.65791836,-0.3111992304,0.0,-0.07023256,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Tm,8.0,A3B_hP8_194_h_c:Hg-Tm +mp-11475,TmHg,-2.871691235,-0.4819333408,0.0,-0.252078065,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Tm,2.0,AB_cP2_221_a_b:Hg-Tm +mp-1187636,Tm3Hg,-3.58130798,-0.1485113212,0.0924553492,0.0924553492,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Tm,4.0,AB3_cP4_221_a_c:Hg-Tm +mp-862553,Sc2BeRu,-6.7596378275,-0.3399494237,0.0394388739,0.0394388739,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Be-Ru-Sc +mp-569414,Lu6AgTe2,-4.7387667147,-0.7115588358,0.0,-0.0438394669,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Ag-Lu-Te,36.0,"Invalid WP multiplicities - AB6C2_oP36_62_c_19c_5c:Ag-Lu-Te, expected Lu19AgTe5 to be Lu6AgTe2" +mp-1206851,LuAgTe2,-4.46827177,-1.0582421925,0.0142236556,0.0142236556,GGA,P3m1,ABC2_hP4_156_a_b_ac:Ag-Lu-Te,4.0,ABC2_hP4_156_a_b_ac:Ag-Lu-Te +mp-865098,NaLaAu2,-3.8255011025,-0.6239270029,0.0,-0.009463425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Na,4.0,A2BC_cF16_225_c_a_b:Au-La-Na +mp-1220128,NiGeMo,-7.0590902125,0.0238480025,0.2625553757,0.2625553757,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Ge-Mo-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Ge-Mo-Ni, expected Ni2Ge2Mo3 to be NiGeMo" +mp-1220233,NiGeMo,-7.1093461833,-0.0264079683,0.2122994049,0.2122994049,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Ge-Mo-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Ge-Mo-Ni, expected Ni2Ge2Mo3 to be NiGeMo" +mp-11506,Ni3Mo,-7.139550665,-0.0930356275,0.0,-0.0125456963,GGA,Pmmn,AB3_oP8_59_a_be:Mo-Ni,8.0,AB3_oP8_59_a_be:Mo-Ni +mp-1220074,Ni3Mo,-6.8903340425,0.156180995,0.2492166225,0.2366709262,GGA,R-3m,AB3_hR12_166_a_bc:Mo-Ni,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mo-Ni, expected Ni5Mo to be Ni3Mo" +mp-11507,Ni4Mo,-6.876098042,-0.082858676,0.0,-0.008430174,GGA,I4/m,AB4_tI10_87_a_h:Mo-Ni,5.0,AB4_tI10_87_a_h:Mo-Ni +mp-784630,Ni2Mo,-7.54518318,-0.0765420233,0.0061563122,0.0061563122,GGA,Immm,AB2_oI6_71_a_e:Mo-Ni,3.0,AB2_oI6_71_a_e:Mo-Ni +mp-1187439,ThCdPd2,-5.3332111825,-0.6590832750000001,0.0233304417,0.0233304417,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Th,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Th +mp-1148,Th2Pd,-7.1812097367,-0.5120103,0.0,-0.0005926633,GGA,I4/mcm,AB2_tI12_140_a_h:Pd-Th,6.0,AB2_tI12_140_a_h:Pd-Th +mp-1105083,Th3Pd4,-6.9607487443,-0.82344846,0.0,-0.0038616514,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Th,14.0,A4B3_hR42_148_abf_f:Pd-Th +mp-30839,Th3Pd5,-6.591520965,-0.57389799,0.2877372398,0.2877372398,GGA,P-62m,A5B3_hP8_189_cg_f:Pd-Th,8.0,A5B3_hP8_189_cg_f:Pd-Th +mp-570184,ThPd3,-6.6891136125,-0.9507376925,0.0,-0.4703927575,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pd-Th,16.0,A3B_hP16_194_gh_ac:Pd-Th +mp-30838,ThPd,-7.063996485,-0.7671264550000001,0.0,-0.037109443,GGA,Pnma,AB_oP8_62_c_c:Pd-Th,8.0,AB_oP8_62_c_c:Pd-Th +mp-1188478,Sm2Ni7,-5.883855715,-0.3396191561,1.4062925211,-0.0055452556,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Sm,18.0,A7B2_hR54_166_a2cdh_2c:Ni-Sm +mp-1200995,Sm2Ni7,-7.2901482361,-1.7459116772,0.0,-1.4118377767,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Sm,36.0,A7B2_hP36_194_aefhk_2f:Ni-Sm +mp-1208939,Sm4CdNi,-4.5237280667,-0.2608329033,0.219775985,0.219775985,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ni-Sm,24.0,ABC4_cF96_216_e_e_efg:Cd-Ni-Sm +mp-1075,SmNi5,-5.9017586617,-0.2985470725,1.0108866854,1.0108866854,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Sm,6.0,A5B_hP6_191_cg_a:Ni-Sm +mp-1095619,SmNi3,-5.8665863583,-0.3518373146,1.3317203742,1.3317203742,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Sm,12.0,A3B_hR36_166_ach_bc:Ni-Sm +mp-1206624,Sm2CdNi2,-4.77310078,-0.389033702,0.6366456810000001,0.6366456810000001,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Cd-Ni-Sm,5.0,AB2C2_oC10_65_a_g_h:Cd-Ni-Sm +mp-1402,SmNi2,-5.7894220667,-0.3631355683,1.133360155,1.133360155,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Sm,6.0,A2B_cF24_227_c_b:Ni-Sm +mp-1203310,Sm2Ni17,-5.8466020168,-0.1782074995,0.648803295,0.648803295,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Sm,38.0,A17B2_hP38_194_fgjk_bc:Ni-Sm +mp-1105945,Sm3Ni,-5.1776319469,-0.1936581756,0.3675277206,0.3675277206,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Sm,16.0,AB3_oP16_62_c_cd:Ni-Sm +mp-1197639,Sm(Cd10Ni)2,-1.6035099204,-0.0932205859,0.1299768958,0.1299768958,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Sm,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Sm +mp-1072586,SmCdNi4,-5.106315395,-0.3126449592,0.9988702815,0.9988702815,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Sm,6.0,AB4C_cF24_216_a_e_c:Cd-Ni-Sm +mp-999145,SmNi,-5.6174375175,-0.36807611,0.7542956825,0.7542956825,GGA,Cmcm,AB_oC8_63_c_c:Ni-Sm,4.0,AB_oC8_63_c_c:Ni-Sm +mp-971752,ZnCr3,-7.321585365,0.23313614,0.23313614,0.23313614,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-Zn,4.0,A3B_cF16_225_ac_b:Cr-Zn +mp-1197200,Zn89(Cr2Au5)2,-1.8416263537,-0.0603817792,0.0068837499,0.0068837499,GGA,F-43m,A10B4C89_cF412_216_eg_e_a4efg5h:Au-Cr-Zn,103.0,A10B4C89_cF412_216_eg_e_a4efg5h:Au-Cr-Zn +mp-1070789,CrAu4,-4.522153576,0.027561518,0.027561518,0.027561518,GGA,I4/m,A4B_tI10_87_h_a:Au-Cr,5.0,A4B_tI10_87_h_a:Au-Cr +mp-1187923,Zn3Cr,-3.2606722625,0.0973973125,0.0973973125,0.0973973125,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Zn,4.0,AB3_cP4_221_a_c:Cr-Zn +mp-1226221,CrAu,-5.9916822,0.471782535,0.471782535,0.471782535,GGA,R-3m,AB_hR6_166_a_b:Au-Cr,2.0,AB_hR6_166_a_b:Au-Cr +mp-865966,BeAlIr2,-7.0653902275,-0.7749259638,0.0,-0.1416233258,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Be-Ir,4.0,ABC2_cF16_225_a_b_c:Al-Be-Ir +mp-867979,LaInHg2,-2.5408712575,-0.4671083663,0.0,-0.0178145692,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-La,4.0,A2BC_cF16_225_c_a_b:Hg-In-La +mp-862843,PaZnRu2,-7.7213709175,-0.39056758,0.0,-0.3400609692,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Zn,4.0,AB2C_cF16_225_a_c_b:Pa-Ru-Zn +mp-1194271,Zr6Ni23,-6.7080182986,-0.3552821807,0.0425544999999999,0.0425544999999999,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Ni-Zr,29.0,A23B6_cF116_225_ad2f_e:Ni-Zr +mp-1188073,Zr3Ni,-7.83021598,0.0255936625,0.2678923887,0.2678923887,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Zr,8.0,AB3_hP8_194_c_h:Ni-Zr +mp-22642,Zr2Se,-7.9500227214,-1.0862518088,0.0,-0.0313706114,GGA,Pnnm,AB2_oP36_58_3g_6g:Se-Zr,36.0,AB2_oP36_58_3g_6g:Se-Zr +mp-2250,ZrNi2,-7.1146429633,-0.4119849667,0.0455632858,0.0455632858,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Zr,6.0,A2B_cF24_227_c_b:Ni-Zr +mp-1207489,Zr4Ni,-7.544189697,0.449998143,0.643837124,0.643837124,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Zr,10.0,AB4_cF40_227_a_e:Ni-Zr +mp-556,ZrNi,-7.619652365,-0.45573371,0.0,-0.0506230267,GGA,Cmcm,AB_oC8_63_c_c:Ni-Zr,4.0,AB_oC8_63_c_c:Ni-Zr +mp-1215426,Zr3Se2,-7.540523146,-1.0135381769,0.2711416268,0.2711416268,GGA,P-6m2,A2B3_hP5_187_h_ag:Se-Zr,5.0,"Invalid WP multiplicities - A2B3_hP5_187_h_a2g:Se-Zr, expected Zr5Se2 to be Zr3Se2" +mp-1188055,Zr3Se,-7.6685135088,-0.3837601668,0.4309286898,0.4309286898,GGA,P6_3/mmc,AB3_hP8_194_c_h:Se-Zr,8.0,AB3_hP8_194_c_h:Se-Zr +mp-2717,Zr2Ni7,-6.8224569556,-0.4273060644,0.0,-0.0150134281,GGA,C2/m,A7B2_mC18_12_aej_i:Ni-Zr,9.0,A7B2_mC18_12_afj_i:Ni-Zr +mp-1188069,Zr2Ni7,-6.8186526906000005,-0.4235017994,0.003804265,-0.0112091631,GGA,C2/m,A7B2_mC36_12_i3j_2i:Ni-Zr,18.0,"Invalid WP multiplicities - A7B2_mC36_12_2i5j_3i:Ni-Zr, expected ZrNi4 to be Zr2Ni7" +mp-328,Zr2Ni,-7.9482442817,-0.3230649683,0.0,-0.019242495,GGA,I4/mcm,AB2_tI12_140_a_h:Ni-Zr,6.0,AB2_tI12_140_a_h:Ni-Zr +mp-1215400,Zr3Se4,-7.2095494871,-1.5485855156,0.0747329471,0.0747329471,GGA,Cmmm,A4B3_oC14_65_gj_af:Se-Zr,7.0,"Invalid WP multiplicities - A4B3_oC14_65_2g2j_a2f:Se-Zr, expected Zr5Se8 to be Zr3Se4" +mp-1215645,Zr2NiSe4,-6.6064085971,-1.3408109042,0.0679558686,0.0679558686,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-Se-Zr,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_3i_i:Ni-Se-Zr, expected Zr2NiSe6 to be Zr2NiSe4" +mp-680655,Zr7Ni10,-7.3628692144,-0.4431473785,0.0135469716,0.0135469716,GGA,Pbca,A10B7_oP68_61_5c_a3c:Ni-Zr,68.0,"Invalid WP multiplicities - A10B7_oC68_64_6f19g_4a8d4e6f:Ni-Zr, expected Zr5Ni11 to be Zr7Ni10" +mp-636525,Zr7Ni10,-7.3682684859,-0.44854665,0.0081477001,0.0081477001,GGA,Cmce,A10B7_oC68_64_f2g_adef:Ni-Zr,34.0,"Invalid WP multiplicities - A10B7_oC68_64_3f8g_2a3d3e3f:Ni-Zr, expected Zr10Ni19 to be Zr7Ni10" +mp-485,ZrNi3,-6.9304831912,-0.4584555237,0.0,-0.027586427,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Zr,8.0,A3B_hP8_194_h_c:Ni-Zr +mp-1215925,Zr5Se8,-6.45549761,-1.0165903045,0.6240139262000001,0.6240139262000001,GGA,Cm,A8B5_mC26_8_8a_5a:Se-Zr,13.0,A8B5_aP13_1_8a_5a:Se-Zr +mp-1215359,Zr5Se8,-6.9589959085,-1.520088603,0.1205156277,0.1205156277,GGA,R-3m,A8B5_hR39_166_4c_a2c:Se-Zr,13.0,"Invalid WP multiplicities - A8B5_hR39_166_7c_a3c:Se-Zr, expected ZrSe2 to be Zr5Se8" +mp-2439,ZrNi5,-6.5613642,-0.3199668617,0.0005126867,0.0005126867,GGA,F-43m,A5B_cF24_216_ae_c:Ni-Zr,6.0,A5B_cF24_216_ae_c:Ni-Zr +mp-30814,Zr9Ni11,-7.404354363,-0.3788139055,0.0774641672,0.0774641672,GGA,I4/m,A11B9_tI40_87_adi_b2h:Ni-Zr,20.0,A11B9_tI40_87_adi_b2h:Ni-Zr +mp-30260,Zr8Ni21,-6.977789,-0.4341864028,0.0239875541,0.0239875541,GGA,P-1,A21B8_aP29_2_a10i_4i:Ni-Zr,29.0,"Invalid WP multiplicities - A21B8_aP29_2_a11i_4i:Ni-Zr, expected Zr8Ni23 to be Zr8Ni21" +mp-1215598,Zr2Se3,-7.156344268,-1.6397171294,0.0,-0.02065167,GGA,C2/m,A3B2_mC20_12_ij_adg:Se-Zr,10.0,"Invalid WP multiplicities - A3B2_mC20_12_2ij_ac2g:Se-Zr, expected Zr3Se4 to be Zr2Se3" +mp-684965,ZrSe,-7.1917516528,-1.169945599,0.4123761972,0.2622220352,GGA,P1,AB_aP32_1_16a_16a:Se-Zr,32.0,AB_aP32_1_16a_16a:Se-Zr +mp-1215280,ZrSe,-7.2656317237,-1.2438256699,0.3384961262,0.1883419643,GGA,P-1,AB_aP8_2_2i_2i:Se-Zr,8.0,"Invalid WP multiplicities - AB_aP8_2_3i_2i:Se-Zr, expected Zr2Se3 to be ZrSe" +mp-1183040,ZrSe,-7.60412785,-1.5823217962,0.0,-0.150154162,GGA,P-6m2,AB_hP2_187_a_d:Se-Zr,2.0,AB_hP2_187_a_d:Se-Zr +mp-1683,ZrSe3,-6.1609509225,-1.4020921568,0.0,-0.1694212306,GGA,P2_1/m,A3B_mP8_11_3e_e:Se-Zr,8.0,A3B_mP8_11_3e_e:Se-Zr +mp-2076,ZrSe2,-6.82340243,-1.6435612349,0.0,-0.1094552044,GGA,P-3m1,A2B_hP3_164_d_a:Se-Zr,3.0,A2B_hP3_164_d_a:Se-Zr +mp-700,GeSe,-4.5111727575,-0.4517030912,0.0,-0.0172112797,GGA,Pnma,AB_oP8_62_c_c:Ge-Se,8.0,AB_oP8_62_c_c:Ge-Se +mp-10759,GeSe,-4.502773655,-0.4433039887,0.0083991025,-0.0088121772,GGA,Fm-3m,AB_cF8_225_a_b:Ge-Se,2.0,AB_cF8_225_a_b:Ge-Se +mp-540625,GeSe2,-4.4509393521,-0.5793224153000001,0.0,-0.0301104541,GGA,P2_1/c,AB2_mP48_14_4e_8e:Ge-Se,48.0,AB2_mP48_14_4e_8e:Ge-Se +mp-1190257,GeSe2,-4.44409724,-0.5724803032,0.0068421121,-0.023268342,GGA,Fdd2,AB2_oF72_43_ab_3b:Ge-Se,18.0,AB2_oF72_43_ab_3b:Ge-Se +mp-10074,GeSe2,-4.4384455967,-0.5668286599,0.0124937554,-0.0176166987,GGA,I-42d,AB2_tI12_122_a_d:Ge-Se,6.0,AB2_tI12_122_a_d:Ge-Se +mp-4878,ZrGeSe,-6.7458972183,-1.1903505641,0.0,-0.0695387742,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Se-Zr,6.0,ABC_tP6_129_a_c_c:Ge-Se-Zr +mp-680333,Ge4Se9,-4.4069298427,-0.5642133259000001,0.0,-0.0294541733,GGA,Pca2_1,A4B9_oP52_29_4a_9a:Ge-Se,52.0,"Invalid WP multiplicities - A4B9_oP52_29_14a_32a:Ge-Se, expected Ge7Se16 to be Ge4Se9" +mp-977110,NaSnPd2,-4.33368407,-0.4107188779,0.0020096381,0.0020096381,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Na-Pd-Sn +mp-1220866,NaSn2Pd3,-4.6277712333,-0.4808854944,0.0,-0.0229752502,GGA,P6mm,AB3C2_hP6_183_a_c_b:Na-Pd-Sn,6.0,AB3C2_hP6_183_a_c_b:Na-Pd-Sn +mp-2358,SmAl2,-4.584500505,-0.5145879067,0.0,-0.0846969406,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Sm,6.0,A2B_cF24_227_c_b:Al-Sm +mp-863026,SmCl3,-5.226318595,-2.6602695662,0.0,-0.9089215913,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Sm,8.0,A3B_hP8_194_h_c:Cl-Sm +mp-979266,Sm3Al,-4.6597181937,-0.184384635,0.0179567553,0.0179567553,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Sm,8.0,AB3_hP8_194_c_h:Al-Sm +mp-11222,Sm3Al,-4.648218845,-0.1728852862,0.0294561041,0.0294561041,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Sm,4.0,AB3_cP4_221_a_c:Al-Sm +mp-867870,SmAl3,-4.431323465,-0.4424950588,0.0,-0.029065501,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Sm,8.0,A3B_hP8_194_h_c:Al-Sm +mp-569569,Sm(AlCl4)2,-4.5019254805,-2.0475590191,0.111213577,0.111213577,GGA,P2/c,A2B8C_mP22_13_g_4g_e:Al-Cl-Sm,22.0,"Invalid WP multiplicities - A2B8C_mP22_13_g_10g_e:Al-Cl-Sm, expected Sm(AlCl10)2 to be Sm(AlCl4)2" +mp-1079897,SmAl4,-4.283320829,-0.343142938,0.010853109,0.010853109,GGA,Imma,A4B_oI20_74_aeh_e:Al-Sm,10.0,A4B_oI20_74_aeh_e:Al-Sm +mp-1891,SmAl4,-4.224415528,-0.284237637,0.06975841,0.06975841,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Sm,5.0,"Invalid WP multiplicities - A4B_tI10_139_d2e_a:Al-Sm, expected SmAl6 to be SmAl4" +mp-1104395,Sm3Al11,-4.3241540179,-0.3700759796,0.0092054993,0.0092054993,GGA,Immm,A11B3_oI28_71_bf2n_ag:Al-Sm,14.0,A11B3_oI28_71_bf2n_ag:Al-Sm +mp-1102344,Sm2Al,-4.65277833,-0.2585289633,0.0112595571,0.0112595571,GGA,Pnma,AB2_oP12_62_c_2c:Al-Sm,12.0,AB2_oP12_62_c_2c:Al-Sm +mp-29453,SmCl2,-5.09413413,-2.2889143117,0.0757697472,0.0757697472,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Sm,12.0,A2B_oP12_62_2c_c:Cl-Sm +mp-867134,SmCl2,-5.1403504517,-2.3351306333,0.0295534256,0.0295534256,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Sm,6.0,A2B_tP6_136_f_a:Cl-Sm +mp-1190357,SmAl5,-4.1543432779,-0.2465990638,0.0483976421,0.0483976421,GGA,P6_322,A5B_hP24_182_efgh_f:Al-Sm,24.0,A5B_hP24_182_efgh_f:Al-Sm +mp-1208890,Sm4Al,-4.041375397,0.482608677,0.6444817892,0.6444817892,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Sm,10.0,AB4_cF40_227_a_e:Al-Sm +mp-978951,SmAl,-4.6367637631,-0.4046827806,0.0,-0.0181243456,GGA,Pbcm,AB_oP16_57_cd_2d:Al-Sm,16.0,"Invalid WP multiplicities - AB_oP16_57_2c2d_7d:Al-Sm, expected Sm7Al4 to be SmAl" +mp-11221,SmAl,-4.601903275,-0.3698222925,0.0348604881,0.0167361425,GGA,Pm-3m,AB_cP2_221_a_b:Al-Sm,2.0,AB_cP2_221_a_b:Al-Sm +mp-1196590,Lu11Ge10,-5.3799834336,-0.8104246588,0.0,-0.009933983,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Lu,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Lu +mp-7158,Lu(AlGe)2,-4.6114104220000005,-0.359778844,0.000657714,0.000657714,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Lu,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Lu +mp-1222385,Lu2Ge3,-5.002933206,-0.420736285,0.258597808,0.258597808,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Lu,5.0,A3B2_hP5_187_abc_i:Ge-Lu +mp-973906,LuGe2,-5.166339745,-0.5773376683,0.0,-0.0149678989,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Lu,6.0,A2B_oC12_63_2c_c:Ge-Lu +mp-1104514,Lu3Ge4,-5.3023272721,-0.7230468464,0.0,-0.0291656829,GGA,Cmcm,A4B3_oC28_63_acf_cf:Ge-Lu,14.0,A4B3_oC28_63_acf_cf:Ge-Lu +mp-1222866,Lu10Al4Ge11,-5.1177903472,-0.6759857502000001,0.0040758626,0.0040758626,GGA,C2/m,A4B11C10_mC50_12_2i_a5i_5i:Al-Ge-Lu,25.0,"Invalid WP multiplicities - A4B11C10_mC50_12_3i_a10i_10i:Al-Ge-Lu, expected Lu20(Al2Ge7)3 to be Lu10Al4Ge11" +mp-1199467,Lu5Ge4,-5.39262351,-0.8263052856,0.0,-0.0207944895,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Lu,36.0,A4B5_oP36_62_2cd_c2d:Ge-Lu +mp-1025105,LuAlGe,-4.897245665,-0.6007275967,0.0,-0.038658519,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Lu,6.0,ABC_oC12_63_a_c_c:Al-Ge-Lu +mp-1105989,Lu5Ge3,-5.3539912419,-0.7947617212,0.0,-0.0975666366,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Lu,16.0,A3B5_hP16_193_g_dg:Ge-Lu +mp-30356,SrAg2,-2.7663655933,-0.31483044,0.0,-0.062540457,GGA,Imma,A2B_oI12_74_h_e:Ag-Sr,6.0,A2B_oI12_74_h_e:Ag-Sr +mp-30357,Sr3Ag2,-2.4141257593,-0.267407286,0.0,-0.0027330101,GGA,R-3,A2B3_hR45_148_f_acf:Ag-Sr,15.0,A2B3_hR45_148_f_acf:Ag-Sr +mp-30355,SrAg,-2.5796577594,-0.318633031,0.0,-0.0334420623,GGA,Pnma,AB_oP16_62_2c_2c:Ag-Sr,16.0,AB_oP16_62_2c_2c:Ag-Sr +mp-568716,SrAg,-2.5792827195,-0.3182579912,0.0003750399,-0.0330670224,GGA,Pnma,AB_oP40_62_5c_5c:Ag-Sr,40.0,"Invalid WP multiplicities - AB_oP40_62_19c_18c:Ag-Sr, expected Sr18Ag19 to be SrAg" +mp-1106092,Sr7Ag3,-2.243127739,-0.2107155207,0.0,-0.0101600562,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Ag-Sr,20.0,A3B7_hP20_186_c_b2c:Ag-Sr +mp-2410,SrAg5,-2.8279925133,-0.185946935,0.0,-0.028531715,GGA,P6/mmm,A5B_hP6_191_cg_a:Ag-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Ag-Sr, expected SrAg7 to be SrAg5" +mp-1187102,Sr3Ag,-1.950031715,0.0252273758,0.2008236431,0.2008236431,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Sr,4.0,AB3_cP4_221_a_c:Ag-Sr +mp-1093771,Sr2ZnAg,-0.8101432475,1.0576783825,1.3214034953,1.3214034953,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Sr-Zn +mp-1209890,Nd2(Al3Ir)3,-5.8322717782,-0.8492875014,0.0,-0.1702819396,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Nd,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Nd +mp-1209803,Pr2(Al3Rh)3,-5.4746600821,-0.8057373971,0.0,-0.0887416086,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Pr-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Pr-Rh +mp-1106086,Pr7Rh3,-6.0319044435,-0.475978054,0.0,-0.0391165493,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Pr-Rh,20.0,A7B3_hP20_186_b2c_c:Pr-Rh +mp-1209468,Pr4Rh,-5.205801014,0.091785164,0.4091038667,0.4091038667,GGA,Fd-3m,A4B_cF40_227_e_a:Pr-Rh,10.0,A4B_cF40_227_e_a:Pr-Rh +mp-1209554,PrAlRh,-6.0930202542,-0.7960904358,0.0,-0.0451427031,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pr-Rh,12.0,ABC_oP12_62_c_c_c:Al-Pr-Rh +mp-2529,PrRh2,-7.1339487117,-0.63077488,0.0,-0.1989257483,GGA,Fd-3m,AB2_cF24_227_a_d:Pr-Rh,6.0,AB2_cF24_227_a_d:Pr-Rh +mp-999305,PrRh,-6.72038051,-0.6477736975,0.0,-0.0471818635,GGA,Cmcm,AB_oC8_63_c_c:Pr-Rh,4.0,AB_oC8_63_c_c:Pr-Rh +mp-1104158,Pr3Rh2,-6.3967486073,-0.5824820063,0.0,-0.0206061306,GGA,R-3,A3B2_hR45_148_acf_f:Pr-Rh,15.0,A3B2_hR45_148_acf_f:Pr-Rh +mp-21674,Pu5Ir4,-11.4738715111,0.3808983078,0.7626319128,0.7626319128,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ir-Pu,36.0,A4B5_oP36_62_2cd_c2d:Ir-Pu +mp-2848,Pu5Ir3,-12.6612620794,-0.4294503056,0.0,-0.3734463919,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ir-Pu,16.0,A3B5_tI32_140_ah_bk:Ir-Pu +mp-505143,Pu(SiIr)2,-9.430589535,-0.8715209850000001,0.0,-0.2795430044,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ir-Pu-Si,10.0,A2BC2_tP10_129_ac_c_bc:Ir-Pu-Si +mp-1209844,Pu4Ir,-12.879098109,0.302859391,0.531899554,0.531899554,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Pu,10.0,AB4_cF40_227_a_e:Ir-Pu +mp-2840,PuIr2,-10.7477980767,-0.0995625133,0.1294776497,0.1294776497,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Pu,6.0,A2B_cF24_227_c_b:Ir-Pu +mp-864882,Yb2PdRh,-4.6475741725,-0.7417226125,0.0,-0.0082197675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Yb,,ABC2_cF16_225_a_b_c:Pd-Rh-Yb +mp-1199571,Lu11Cd45,-1.8074906703,-0.1778389753,0.0021787011,0.0021787011,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Lu,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Lu +mp-1008910,LuCd2,-1.98092776,0.1413155867,0.4045538333,0.3954959592,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Lu,3.0,A2B_hP3_164_d_a:Cd-Lu +mp-1062310,LuCd2,-2.3827283733,-0.2604850267,0.00275322,-0.0063046542,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Lu,3.0,A2B_hP3_164_d_a:Cd-Lu +mp-865732,LuCd2,-2.3854815933,-0.2632382467,0.0,-0.0090578742,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Lu,3.0,A2B_hP3_191_c_b:Cd-Lu +mp-2217,LuCd,-3.026234445,-0.304314305,0.0,-0.10688562,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Lu,2.0,AB_cP2_221_a_b:Cd-Lu +mp-1185440,Lu3Cd,-3.70207252,-0.08063719,0.0715199625,0.0715199625,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Lu,4.0,AB3_cP4_221_a_c:Cd-Lu +mp-11306,LuCd3,-2.0515183562,-0.2291134062,0.0,-0.0178573248,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Lu,8.0,A3B_oC16_63_cg_c:Cd-Lu +mp-866133,Lu2TlCd,-3.3629342975,-0.2810758108,0.0,-0.000683945,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Lu-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Lu-Tl +mp-865326,Lu2PdPt,-6.230516775,-1.1572877325,0.0,-0.0013897637,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Lu-Pd-Pt +mp-865178,Hf2IrRh,-9.9450290275,-0.915749,0.0,-0.0125597175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Rh +mp-972945,HoErAg2,-4.0411471275,-0.3373372058,0.0061213075,0.0061213075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Er-Ho,4.0,A2BC_cF16_225_c_a_b:Ag-Er-Ho +mp-30559,LaCo13,-6.9876138182,-0.0344610725,0.0,-0.0182153791,GGA,Fm-3c,A13B_cF112_226_bi_a:Co-La,28.0,A13B_cF112_226_bi_a:Co-La +mp-1205821,LaCo,-5.9558490325,0.0663134175,0.1602704479,0.1602704479,GGA,I2_13,AB_cI16_199_a_a:Co-La,8.0,AB_cI16_199_a_a:Co-La +mp-1187848,Tl3Co,-3.0393652337,0.509696575,0.509696575,0.509696575,GGA,P2_1/m,AB3_mP8_11_e_3e:Co-Tl,8.0,"Invalid WP multiplicities - AB3_mP8_11_e_6e:Co-Tl, expected Tl6Co to be Tl3Co" +mp-1200922,La6TlCo13,-6.3328092155,-0.1134683599,0.0,-0.008275233,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Co-La-Tl,40.0,A13B6C_tI80_140_dk2l_fl_a:Co-La-Tl +mp-640095,La3Co,-5.5804946762,-0.1014098988,0.0,-0.0635032808,GGA,Pnma,AB3_oP16_62_c_cd:Co-La,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_2c2d:Co-La, expected La6Co to be La3Co" +mp-1102044,LaCo5,-6.7642119758,-0.0179459625,0.0328962145,0.0328962145,GGA,Imm2,A5B_oI24_44_2cde_ab:Co-La,12.0,A5B_oI24_44_2cde_ab:Co-La +mp-570460,LaCo5,-6.7666667467,-0.0204007333,0.0304414437,0.0304414437,GGA,Cccm,A5B_oC24_66_akl_d:Co-La,12.0,"Invalid WP multiplicities - A5B_oC24_66_a2k2l_d:Co-La, expected LaCo9 to be LaCo5" +mp-1731,LaCo5,-6.763648225,-0.0173822117,0.0334599653,0.0334599653,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-La,6.0,A5B_hP6_191_cg_a:Co-La +mp-568769,LaCo2,-6.4304513983,-0.0462371667,0.0332719432,0.0332719432,GGA,Fd-3m,A2B_cF24_227_c_b:Co-La,6.0,A2B_cF24_227_c_b:Co-La +mp-1211676,La4Co,-5.18170094,0.188768303,0.269896222,0.269896222,GGA,Fd-3m,AB4_cF40_227_a_e:Co-La,10.0,AB4_cF40_227_a_e:Co-La +mp-1189382,La2Co7,-6.65609433,-0.0305122439,0.0298855774,0.0298855774,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-La,18.0,A7B2_hR54_166_a2cdh_2c:Co-La +mp-569054,La2Co3,-6.330369402,-0.090975883,0.0,-0.0240974841,GGA,Cmce,A3B2_oC20_64_ae_f:Co-La,10.0,A3B2_oC20_64_ae_f:Co-La +mp-568301,BiBr3,-3.3703895938,-1.2454960638,0.0020016962,-0.7845926478,GGA,C2/m,AB3_mC16_12_g_ij:Bi-Br,8.0,AB3_mC16_12_g_ij:Bi-Br +mp-610430,BiBr3,-3.3109871475,-1.1860936175,0.0614041425,-0.7251902016,GGA,P2_1/c,AB3_mP16_14_e_3e:Bi-Br,16.0,"Invalid WP multiplicities - AB3_mP16_14_e_7e:Bi-Br, expected BiBr7 to be BiBr3" +mp-752602,BiBr3,-3.37239129,-1.24749776,0.0,-0.7865943441000001,GGA,P2_1/c,AB3_mP16_14_e_3e:Bi-Br,16.0,"Invalid WP multiplicities - AB3_mP16_14_e_9e:Bi-Br, expected BiBr9 to be BiBr3" +mp-568758,BiBr,-3.5064527488,-0.8096940188,0.0219711546,0.0219711546,GGA,C2/m,AB_mC32_12_4i_4i:Bi-Br,16.0,"Invalid WP multiplicities - AB_mC32_12_5i_6i:Bi-Br, expected Bi5Br6 to be BiBr" +mp-30212,La5Bi3Br,-5.3663078572,-1.1713599411,0.0,-0.0515424259,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Br-La,18.0,"Invalid WP multiplicities - A3BC5_hP18_193_g_b_d2g:Bi-Br-La, expected La8Bi3Br to be La5Bi3Br" +mp-27709,Bi6Br7,-3.4596780825,-0.850898614,0.0447408034,0.0447408034,GGA,Pnnm,A6B7_oP104_58_6g3h_e7g3h:Bi-Br,104.0,A6B7_oP104_58_6g3h_e7g3h:Bi-Br +mp-1186776,SrTl3,-2.4551243462,-0.2607686229,0.0016501813,-0.0069107358,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sr-Tl,8.0,AB3_hP8_194_c_h:Sr-Tl +mp-1206636,SrTl3,-2.4567745275,-0.2624188042,0.0,-0.0085609171,GGA,Pm-3m,AB3_cP4_221_a_c:Sr-Tl,4.0,AB3_cP4_221_a_c:Sr-Tl +mp-2434,SrTl,-2.456537935,-0.430469635,0.0,-0.0933105941,GGA,Pm-3m,AB_cP2_221_a_b:Sr-Tl,2.0,AB_cP2_221_a_b:Sr-Tl +mp-1188539,Sr3Tl5,-2.4630538962,-0.3528418846,0.0086334112,0.0086334112,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Sr-Tl,16.0,A3B5_oC32_63_ce_cfg:Sr-Tl +mp-1106120,Sr5Tl3,-2.2634007856,-0.3214761973,0.001376029,0.001376029,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Sr-Tl,16.0,A5B3_tI32_140_cl_ah:Sr-Tl +mp-30877,SrTl2,-2.4767370983,-0.3384771828,0.0,-0.015776325,GGA,P6_3/mmc,AB2_hP6_194_b_f:Sr-Tl,6.0,AB2_hP6_194_b_f:Sr-Tl +mp-1206544,SrTl2Pt,-3.582193305,-0.4607150383,0.0,-0.0098948273,GGA,Cmcm,ABC2_oC16_63_c_c_f:Pt-Sr-Tl,8.0,ABC2_oC16_63_c_c_f:Pt-Sr-Tl +mp-568925,Ni2Sn4Au,-4.6235797671,-0.2132307986,0.0,-0.0082997515,GGA,R-3m,AB2C4_hR21_166_a_c_2c:Au-Ni-Sn,7.0,"Invalid WP multiplicities - AB2C4_hR21_166_a_c_4c:Au-Ni-Sn, expected Ni2Sn8Au to be Ni2Sn4Au" +mp-1206638,NiSn2Au,-4.495975695,-0.2276850975,0.0,-0.0133096864,GGA,P-3m1,ABC2_hP4_164_a_b_d:Au-Ni-Sn,4.0,ABC2_hP4_164_a_b_d:Au-Ni-Sn +mp-1206647,NiSn2Au,-4.24794832,0.0203422775,0.248027375,0.2347176886,GGA,P-6m2,ABC2_hP4_187_a_d_i:Au-Ni-Sn,4.0,ABC2_hP4_187_a_d_i:Au-Ni-Sn +mp-976806,NiAu3,-3.8115963875,0.0888492825,0.0888492825,0.0888492825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Ni,8.0,A3B_hP8_194_h_c:Au-Ni +mp-976784,NiAu3,-3.8115248,0.08892087,0.08892087,0.08892087,GGA,Pm-3m,A3B_cP4_221_c_a:Au-Ni,4.0,A3B_cP4_221_c_a:Au-Ni +mp-976818,Ni3Au,-5.0561060975,0.0974669125,0.0974669125,0.0974669125,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Ni,4.0,AB3_tI8_139_a_bd:Au-Ni +mp-976838,Ni3Au,-5.048875635,0.104697375,0.104697375,0.104697375,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Ni,8.0,AB3_hP8_194_c_h:Au-Ni +mp-865309,Tm2CoIr,-6.83675151,-0.6121458046,0.0481796864,0.0481796864,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ir-Tm,4.0,ABC2_cF16_225_a_b_c:Co-Ir-Tm +mp-978531,Sc3Pb,-5.9522957825,-0.2747821863,0.0377255767,0.0377255767,GGA,I4/mmm,AB3_tI8_139_a_bd:Pb-Sc,4.0,AB3_tI8_139_a_bd:Pb-Sc +mp-672313,Sc6Pb5,-5.5767941514,-0.4351532441,0.0,-0.0260521726,GGA,Ibam,A5B6_oI44_72_a2j_f2j:Pb-Sc,22.0,"Invalid WP multiplicities - A5B6_oI44_72_2a7j_4f6j:Pb-Sc, expected Sc5Pb4 to be Sc6Pb5" +mp-1186990,ScPb3,-4.466950115,-0.0993475362,0.1000977006,0.1000977006,GGA,I4/mmm,A3B_tI8_139_ad_b:Pb-Sc,4.0,A3B_tI8_139_ad_b:Pb-Sc +mp-1187009,ScPb3,-4.4640438263,-0.0964412475,0.1030039894,0.1030039894,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Sc,8.0,A3B_hP8_194_h_c:Pb-Sc +mp-510209,Sc5Pb3,-5.8187974863,-0.4687616444,0.0,-0.0959749228,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Sc,16.0,A3B5_hP16_193_g_dg:Pb-Sc +mp-1093595,ScPbAu2,-2.9004667575000003,1.2477532863,1.86184892,1.86184892,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pb-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Pb-Sc +mp-862660,LiEr2Rh,-5.1202845975,-0.5181175083,0.0076053932,0.0076053932,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Er-Li-Rh +mp-865249,TmSnRu2,-7.1721687025,-0.4136156129,0.0,-0.0580209413,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-Tm,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-Tm +mp-1102413,GdGeIr,-10.0787824692,-0.8995877108,0.0,-0.2158521253,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ge-Ir,12.0,ABC_oP12_62_c_c_c:Gd-Ge-Ir +mp-1197897,Gd3Ge13Ir4,-7.4104639628,-0.5263906850000001,0.0,-0.0763590595,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Ir,40.0,A3B13C4_cP40_223_c_ak_e:Gd-Ge-Ir +mp-1185451,LiSm3,-3.8529157125,0.1632546054,0.1632546054,0.1632546054,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Sm,4.0,AB3_cP4_221_a_c:Li-Sm +mp-866200,Li2SmTl,-2.9772706425,-0.2525018888,0.0,-0.0291913781,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sm-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Sm-Tl +mp-1185272,Li3Sm,-2.40874787,0.2025908137,0.2025908137,0.2025908137,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Sm,8.0,A3B_hP8_194_h_c:Li-Sm +mp-977286,Li3Sm,-2.4025299925,0.2088086912,0.2088086912,0.2088086912,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Sm,4.0,A3B_cF16_225_ac_b:Li-Sm +mp-865116,LiSmTl2,-3.17373978,-0.3355409562,0.0,-0.0251452274,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Sm-Tl +mp-1093890,Li2TlCd,-0.9197019625,0.8561426975,1.10571397,1.0977627444,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Li-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-Li-Tl +mp-1222604,Li2TlCd,-2.01031773,-0.23447307,0.0150982025,0.0071469769,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cd-Li-Tl,4.0,AB2C_cF16_216_a_bc_d:Cd-Li-Tl +mp-1184955,Li2TlCd,-2.0254159325,-0.2495712725,0.0,-0.0079512256,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Tl +mp-1222424,Li3Tl2Cd,-2.1343530967,-0.2385289878,0.0043817467,0.0043817467,GGA,P4/mmm,AB3C2_tP6_123_a_dh_g:Cd-Li-Tl,6.0,AB3C2_tP6_123_a_dh_g:Cd-Li-Tl +mp-20149,GdMg2Ag,-5.115372715,-0.0880631292,0.10081794,0.10081794,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Gd-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Gd-Mg +mp-1184490,GdMgAg2,-5.629986905,-0.2946083308,0.0,-0.014912285,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Gd-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Gd-Mg +mp-1009133,MnCo,-8.161024025,-0.0258574815,0.0,-0.0151419342,GGA,Pm-3m,AB_cP2_221_a_b:Co-Mn,2.0,AB_cP2_221_a_b:Co-Mn +mp-1215872,Zr3MnCo8,-7.8686455308,-0.229340569,0.0180485951,0.0180485951,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Co-Mn-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Co-Mn-Zr, expected Zr3MnCo20 to be Zr3MnCo8" +mp-1014,ZrMn2,-9.1423061942,-0.1850624561,0.0023527792,-0.1377947627,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Zr,12.0,A2B_hP12_194_ah_f:Mn-Zr +mp-1015,ZrMn2,-9.1411011725,-0.1838574345,0.0035578008,-0.136589741,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Mn-Zr,24.0,A2B_hP24_194_fgh_ef:Mn-Zr +mp-2116,ZrMn2,-9.1446589733,-0.1874152353,0.0,-0.1401475419,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-Zr,6.0,A2B_cF24_227_c_b:Mn-Zr +mp-1186063,MnCo3,-7.5450606062,0.076681563,0.0896103037,0.0896103037,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Mn,8.0,A3B_hP8_194_h_c:Co-Mn +mp-999543,MnCo3,-7.57912414,0.0426180293,0.05554677,0.05554677,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Mn,4.0,A3B_cP4_221_c_a:Co-Mn +mp-1188041,Zr3Mn,-8.561362705,0.1399165905,0.2101973038,0.2101973038,GGA,I4/mmm,AB3_tI8_139_a_bd:Mn-Zr,4.0,AB3_tI8_139_a_bd:Mn-Zr +mp-1188027,Zr3Mn,-8.5618243,0.1394549955,0.2097357088,0.2097357088,GGA,Pm-3m,AB3_cP4_221_a_c:Mn-Zr,4.0,AB3_cP4_221_a_c:Mn-Zr +mp-1215293,ZrMn3,-9.0616127817,-0.0531761551,0.0873852714,0.0873852714,GGA,P3m1,A3B_hP12_156_a2b2d_a2c:Mn-Zr,12.0,A3B_hP12_156_a2b2d_a2c:Mn-Zr +mp-1188045,ZrMn3,-8.8624619025,0.1459747241,0.2865361505,0.2865361505,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Zr,8.0,A3B_hP8_194_h_c:Mn-Zr +mp-1185970,Mn3Co,-8.6646642387,-0.0160733209,0.0,-0.0031445802,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Mn,8.0,AB3_hP8_194_c_h:Co-Mn +mp-1207477,Zr4Mn,-8.003313706,0.6672498564,0.7234744270000001,0.7234744270000001,GGA,Fd-3m,AB4_cF40_227_a_e:Mn-Zr,10.0,AB4_cF40_227_a_e:Mn-Zr +mp-30767,Li7Sn2,-2.7496164094,-0.3738826565,0.0,-0.0047542365,GGA,Cmmm,A7B2_oC36_65_acgjpq_hi:Li-Sn,18.0,A7B2_oC36_65_acgjpq_hi:Li-Sn +mp-30768,Li7Sn3,-2.9328005155,-0.3936829523,0.0009651172,0.0009651172,GGA,P2_1/m,A7B3_mP20_11_7e_3e:Li-Sn,20.0,A7B3_mP20_11_7e_3e:Li-Sn +mp-7924,Li2Sn5,-3.590949215,-0.1815627852,0.0046469229,0.0046469229,GGA,P4/mbm,A2B5_tP14_127_g_cj:Li-Sn,14.0,"Invalid WP multiplicities - A2B5_tP14_127_g_c2j:Li-Sn, expected Li2Sn9 to be Li2Sn5" +mp-30766,Li5Sn2,-2.9086692957,-0.3995610038,0.0,-0.0063094534,GGA,R-3m,A5B2_hR21_166_a2c_c:Li-Sn,7.0,A5B2_hR21_166_a2c_c:Li-Sn +mp-30769,Li13Sn5,-2.8854483572,-0.3930118827,0.0033475494,0.0033475494,GGA,P-3m1,A13B5_hP18_164_a2c4d_b2d:Li-Sn,18.0,A13B5_hP18_164_a2c4d_b2d:Li-Sn +mp-569073,LiSn,-3.28511435,-0.3258669892,0.0,-0.0345868761,GGA,P2/m,AB_mP6_10_am_en:Li-Sn,6.0,"Invalid WP multiplicities - AB_mP6_10_c2m_en:Li-Sn, expected Li5Sn3 to be LiSn" +mp-13444,LiSn,-3.2838852817,-0.3246379208,0.0012290683,-0.0333578078,GGA,I4_1/amd,AB_tI24_141_ae_be:Li-Sn,12.0,AB_tI24_141_ae_be:Li-Sn +mp-1185461,LiSn3,-3.61358419,-0.1291745821,0.0337589125,0.0337589125,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Sn,4.0,AB3_tI8_139_a_bd:Li-Sn +mp-1198729,Li22Sn5,-2.6289307844,-0.3309988458,0.0100698833,0.0100698833,GGA,F-43m,A22B5_cF432_216_abcd6efg4h_2efg:Li-Sn,108.0,A22B5_cF432_216_abcd6efg4h_2efg:Li-Sn +mp-573471,Li17Sn4,-2.6598600334,-0.3508135499,0.0,-0.0136884455,GGA,F-43m,A17B4_cF420_216_a6efg4h_2efg:Li-Sn,105.0,"Invalid WP multiplicities - A17B4_cF420_216_a24e6f5g43h_7e4f3g:Li-Sn, expected Li97Sn10 to be Li17Sn4" +mp-1185265,Li3Sn,-2.819239045,-0.3851539313,0.0,-3.69978e-05,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Sn,4.0,A3B_cF16_225_ac_b:Li-Sn +mp-29866,SnCl4,-3.70794239,-1.427198691,0.0,-0.5858420495000001,GGA,P2_1/c,A4B_mP20_14_4e_e:Cl-Sn,20.0,A4B_mP20_14_4e_e:Cl-Sn +mp-29179,SnCl2,-3.9705825137,-1.4017007887,0.0005602804,-0.2123685463,GGA,P2_1/c,A2B_mP24_14_4e_2e:Cl-Sn,24.0,A2B_mP24_14_4e_2e:Cl-Sn +mp-569152,SnCl2,-3.9711427942,-1.4022610692,0.0,-0.2129288267,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Sn,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Cl-Sn, expected SnCl5 to be SnCl2" +mp-978928,SnCl,-3.7398984175,-0.81084416,0.2408516419,0.2408516419,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Sn,4.0,AB_hP4_186_b_b:Cl-Sn +mp-998230,LiSnCl3,-3.969960762,-1.6771398217,0.0189865335,0.0189865335,GGA,R3m,A3BC_hR15_160_b_a_a:Cl-Li-Sn,5.0,A3BC_hR15_160_b_a_a:Cl-Li-Sn +mp-998591,LiSnCl3,-3.980478929,-1.6876579887,0.0084683665,0.0084683665,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Li-Sn,10.0,A3BC_hR30_161_b_a_a:Cl-Li-Sn +mp-1093738,TaGeRu2,-5.5812325075,3.1761701337,3.4909751335,3.4909751335,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Ru-Ta,4.0,AB2C_oI8_71_a_e_b:Ge-Ru-Ta +mp-1187233,TaGeRu2,-9.0652031425,-0.3078005013,0.0070044985,0.0070044985,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Ge-Ru-Ta +mp-571365,Co2Sn,-5.934447205,0.1409552767,0.2132413689,0.2132413689,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Co-Sn,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:Co-Sn, expected Co3Sn to be Co2Sn" +mp-2837,PrCo5,-6.7349449633,-0.014529175,0.0243331042,0.0243331042,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Pr,6.0,A5B_hP6_191_cg_a:Co-Pr +mp-2085,PrCo2,-6.3238796267,0.008634155,0.0496818814,0.0496818814,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Pr,6.0,A2B_cF24_227_c_b:Co-Pr +mp-1200348,Pr3Co4Sn13,-5.1127655668,-0.3677444388,0.0,-0.0198696274,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Pr-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Co-Pr-Sn +mp-20536,CoSn,-5.6673739633,-0.1084291383,0.0,-0.0633035596,GGA,P6/mmm,AB_hP6_191_f_ad:Co-Sn,6.0,AB_hP6_191_f_ad:Co-Sn +mp-1104821,Pr5Co2,-5.4919236579,-0.0460430343,0.0,-0.0014198202,GGA,C2/c,A2B5_mC28_15_f_e2f:Co-Pr,14.0,A2B5_mC28_15_f_e2f:Co-Pr +mp-1219962,Pr2CoSn4,-5.2428999429,-0.5702689821,0.0,-0.0217962121,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Co-Pr-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Co-Pr-Sn +mp-571334,PrCo3,-6.5382872367,-0.0118224517,0.0281325512,0.0281325512,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Pr,12.0,"Invalid WP multiplicities - A3B_hR36_166_a2c4h_bc:Co-Pr, expected Pr3Co29 to be PrCo3" +mp-1212172,Pr4Co,-4.94037391,0.306014253,0.3420208635,0.3420208635,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Pr,10.0,AB4_cF40_227_a_e:Co-Pr +mp-20155,CoSn2,-5.1026546067,-0.0601674383,0.0129276699,0.0129276699,GGA,I4/mcm,AB2_tI12_140_a_h:Co-Sn,6.0,AB2_tI12_140_a_h:Co-Sn +mp-1209618,Pr3(Co2Sn)4,-6.085199237,-0.2686961007,0.0645720907,0.0645720907,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Pr-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Pr-Sn +mp-1106330,Pr2Co7,-6.5894097856,0.0017053339,0.0412960955,0.0412960955,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Pr,18.0,A7B2_hR54_166_a2cdh_2c:Co-Pr +mp-1197933,Pr2Co7,-6.5685872697,0.0225278497,0.0621186113,0.0621186113,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Co-Pr,36.0,A7B2_hP36_194_aefhk_2f:Co-Pr +mp-1226145,Co3Sn,-6.1422318,0.19139951,0.2456140792,0.2456140792,GGA,P4/mmm,A3B_tP4_123_ah_b:Co-Sn,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Co-Sn, expected Co5Sn to be Co3Sn" +mp-1183774,Co3Sn,-6.2396726762,0.0939586338,0.1481732029,0.1481732029,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Sn,8.0,A3B_hP8_194_h_c:Co-Sn +mp-862762,Pr3Co,-5.4077670281,-0.0450082631,0.0,-0.0047206081,GGA,Pnma,AB3_oP16_62_c_cd:Co-Pr,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_3c2d:Co-Pr, expected Pr7Co to be Pr3Co" +mp-1105621,Pr2Co17,-6.9013841684,-0.0380571145,0.0,-0.0263682962,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Pr,19.0,A17B2_hR57_166_cdfh_c:Co-Pr +mp-1190274,Co3Sn2,-5.886600916,-0.017781497,0.0689618137,0.0689618137,GGA,Pnma,A3B2_oP20_62_cd_2c:Co-Sn,20.0,A3B2_oP20_62_cd_2c:Co-Sn +mp-1226032,Co3Sn2,-5.82489462,0.043924799,0.1306681097,0.1306681097,GGA,P-6m2,A3B2_hP5_187_ai_bc:Co-Sn,5.0,A3B2_hP5_187_ai_bc:Co-Sn +mp-1190965,Pr5Co19,-6.6465744063,-0.0231341196,0.0162745214,0.0162745214,GGA,R-3m,A19B5_hR72_166_a3c2h_b2c:Co-Pr,24.0,A19B5_hR72_166_a3c2h_b2c:Co-Pr +mp-1183777,CoSn3,-4.8363486094,-0.0520902694,0.0033378237,0.0021242998,GGA,Cmce,AB3_oC32_64_d_fg:Co-Sn,16.0,AB3_oC32_64_d_fg:Co-Sn +mp-985707,CoSn3,-4.8396864331,-0.0554280931,0.0,-0.001213524,GGA,I4_1/acd,AB3_tI64_142_d_fg:Co-Sn,32.0,AB3_tI64_142_d_fg:Co-Sn +mp-1205951,TbMgIn,-3.3889934356,-0.3935501422,0.0,-0.1050697514,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Tb,9.0,ABC_hP9_189_ad_g_f:In-Mg-Tb +mp-1187299,Tb3In,-4.4180339487,-0.2543384412,0.0079423788,0.0079423788,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Tb,8.0,AB3_hP8_194_c_h:In-Tb +mp-20608,Tb2In,-4.35651307,-0.34970776,0.0,-0.0484425075,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Tb,6.0,AB2_hP6_194_c_ad:In-Tb +mp-20920,TbIn3,-3.6425737075,-0.420219385,0.0,-0.1098799904,GGA,Pm-3m,A3B_cP4_221_c_a:In-Tb,4.0,A3B_cP4_221_c_a:In-Tb +mp-1188416,Tb3In5,-3.9231987106,-0.4655090919,0.0,-0.0664431944,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Tb,16.0,A5B3_oC32_63_cfg_ce:In-Tb +mp-865737,Li2InSn,-2.9507705675,-0.3059952379,0.0,-0.0155962388,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Sn,4.0,AB2C_cF16_225_a_c_b:In-Li-Sn +mp-568466,LiInSn,-3.0722804967,-0.1822210128,0.0350236467,0.0350236467,GGA,F-43m,ABC_cF12_216_c_a_b:In-Li-Sn,3.0,ABC_cF12_216_c_a_b:In-Li-Sn +mp-1222280,LiInSn,-3.1017971933,-0.2117377094,0.00550695,0.00550695,GGA,F-43m,ABC_cF12_216_a_b_c:In-Li-Sn,3.0,ABC_cF12_216_a_b_c:In-Li-Sn +mp-1204515,Er3Ge13Rh4,-5.6928700418,-0.5298825405,0.0118359194,0.0118359194,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Er-Ge-Rh,40.0,A3B13C4_cP40_223_c_ak_e:Er-Ge-Rh +mp-1195860,Er5Ge4,-5.4396820239,-0.8473814161000001,0.0,-0.0170128197,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Er-Ge,36.0,A5B4_oP36_62_c2d_2cd:Er-Ge +mp-1711,Er3Ge4,-5.3675768071,-0.7682528286,0.0,-0.0301982062,GGA,Cmcm,A3B4_oC28_63_cf_acf:Er-Ge,14.0,A3B4_oC28_63_cf_acf:Er-Ge +mp-11854,Er5Ge3,-5.3909168656,-0.8024571638,0.0,-0.0874790939,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Ge,16.0,A5B3_hP16_193_dg_g:Er-Ge +mp-570680,Er(GeRh)2,-6.574002902,-0.86552485,0.0009689592,0.0009689592,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Er-Ge-Rh +mp-1213221,ErGeRh2,-6.8505499229,-0.8707093217,0.0,-0.001450448,GGA,P6_3/mmc,ABC2_hP24_194_cf_abd_k:Er-Ge-Rh,24.0,ABC2_hP24_194_cf_abd_k:Er-Ge-Rh +mp-1226590,Er6Ge11,-5.1754443321,-0.5719373165,0.0607414835,0.0607414835,GGA,Cm,A6B11_mC68_8_12a_22a:Er-Ge,34.0,A6B11_mC68_8_12a_22a:Er-Ge +mp-1184186,Er3Ge,-4.8750554625,-0.2935093912,0.2414620513,0.2414620513,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Ge,4.0,A3B_tI8_139_ad_b:Er-Ge +mp-513,ErGe3,-5.0516950037,-0.44249441,0.0056530733,0.0056530733,GGA,Cmcm,AB3_oC16_63_c_3c:Er-Ge,8.0,AB3_oC16_63_c_3c:Er-Ge +mp-29777,Er2Ge5,-5.1159936529,-0.5087683821,0.0034001702,0.0034001702,GGA,Pmmn,A2B5_oP14_59_ab_2a3b:Er-Ge,14.0,A2B5_oP14_59_ab_2a3b:Er-Ge +mp-20043,ErGeRh,-6.5084671667,-0.990115655,0.0,-0.0503611985,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Rh,12.0,ABC_oP12_62_c_c_c:Er-Ge-Rh +mp-984743,Er2Ge5Rh3,-6.1944235565,-0.760073506,0.0,-0.0041513936,GGA,C2/c,A2B5C3_mC40_15_f_3ef_ef:Er-Ge-Rh,20.0,"Invalid WP multiplicities - A2B5C3_mC40_15_f_3e2f_ef:Er-Ge-Rh, expected Er2Ge7Rh3 to be Er2Ge5Rh3" +mp-1212969,Er3(GeRh)2,-6.3171357943,-0.9345889543,0.0089119559,0.0089119559,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Er-Ge-Rh,28.0,A3B2C2_oP28_57_de_cd_e:Er-Ge-Rh +mp-1200777,Er5(Ge5Rh2)2,-5.9768846311,-0.7913002058,0.0,-0.0377726659,GGA,P4/mbm,A5B10C4_tP38_127_a2h_gij_i:Er-Ge-Rh,38.0,A5B10C4_tP38_127_a2h_gij_i:Er-Ge-Rh +mp-1203572,Er11Ge10,-5.4349114881,-0.8408550376,0.0095642793,0.0095642793,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Er-Ge,42.0,A11B10_tI84_139_eh2n_dehim:Er-Ge +mp-1106353,Er4Ge6Rh7,-6.6930266871,-0.9542503659,0.0,-0.0655190275,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Er-Ge-Rh,17.0,A4B6C7_cI34_229_c_e_ad:Er-Ge-Rh +mp-1076961,Er2GeRh3,-6.8907323283,-0.9155008142,0.0,-0.0121832012,GGA,R-3m,A2BC3_hR18_166_c_a_d:Er-Ge-Rh,6.0,A2BC3_hR18_166_c_a_d:Er-Ge-Rh +mp-1225617,Er2Ge3,-5.060987936,-0.460083699,0.2569522743,0.2569522743,GGA,P-6m2,A2B3_hP5_187_i_abc:Er-Ge,5.0,A2B3_hP5_187_i_abc:Er-Ge +mp-2264,ErGe,-5.448071075,-0.8526977425000001,0.0,-0.0299932571,GGA,Cmcm,AB_oC8_63_c_c:Er-Ge,4.0,AB_oC8_63_c_c:Er-Ge +mp-11262,YbAu4,-3.481513734,-0.5544864780000001,0.0,-0.00381299,GGA,I4/m,A4B_tI10_87_h_a:Au-Yb,,A4B_tI10_87_h_a:Au-Yb +mp-570901,Yb2Au,-2.8461890533,-0.7284895333,0.0063615686,0.0063615686,GGA,Pnma,AB2_oP12_62_c_2c:Au-Yb,,"Invalid WP multiplicities - AB2_oP12_62_c_6c:Au-Yb, expected Yb6Au to be Yb2Au" +mp-1187979,Yb5Mg,-1.5316913617,0.01802888,0.0391520983,0.0391520983,GGA,Cm,AB5_mC12_8_a_5a:Mg-Yb,,AB5_mC12_8_a_5a:Mg-Yb +mp-1187825,Yb5Mg,-1.5330810233,0.0166392183,0.0377624367,0.0377624367,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Yb,,AB5_oC12_38_a_2a3b:Mg-Yb +mp-1187967,Yb5Mg,-1.5276475367,0.022072705,0.0431959233,0.0431959233,GGA,R32,AB5_hR18_155_a_ce:Mg-Yb,,AB5_hR18_155_a_ce:Mg-Yb +mp-1187963,Yb5Mg,-1.541354825,0.0083654167,0.029488635,0.029488635,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Yb,,"Invalid WP multiplicities - AB5_hP6_189_a_2cg:Mg-Yb, expected Yb7Mg to be Yb5Mg" +mp-2096,YbMg2,-1.6644958933,-0.0844397667,5.31067e-05,-0.036479468,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mg-Yb,,"Invalid WP multiplicities - A2B_hP12_194_a2h_f:Mg-Yb, expected Yb2Mg7 to be YbMg2" +mp-1100782,YbMg2,-1.664549,-0.0844928733,0.0,-0.0365325746,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Yb,,A2B_cF24_227_c_b:Mg-Yb +mp-1100787,YbMg149,-1.6258414337,-0.0259658622,0.0,-0.0242760047,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Yb,,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Yb, expected YbMg315 to be YbMg149" +mp-1187973,Yb3Mg,-1.54338435,0.0113918725,0.0430766999999999,0.0430766999999999,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Yb,,AB3_tI8_139_a_bd:Mg-Yb +mp-1187989,Yb3Mg,-1.5547311775,4.5045e-05,0.0317298725,0.0317298725,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Yb,,AB3_hP8_194_c_h:Mg-Yb +mp-979956,Yb3Mg,-1.5478209550000002,0.0069552675,0.038640095,0.038640095,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Yb,,AB3_cP4_221_a_c:Mg-Yb +mp-980034,Yb3Mg,-1.5237142475,0.031061975,0.0627468025,0.0627468025,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Yb,,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Yb, expected Yb5Mg to be Yb3Mg" +mp-568823,YbAu3,-3.52865543,-0.68834186,0.0,-0.0375763,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Yb,,A3B_oP8_59_ae_b:Au-Yb +mp-979985,YbAu3,-3.5139077662,-0.6735941963000001,0.0147476638,-0.0228286362,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Yb,,A3B_hP8_194_h_c:Au-Yb +mp-1193911,Yb19Mg8,-1.5409497533,0.0166353474,0.0541877356,0.0541877356,GGA,Im-3,A8B19_cI54_204_f_adg:Mg-Yb,,A8B19_cI54_204_f_adg:Mg-Yb +mp-570527,Yb5Au4,-3.2200219,-0.9096253,0.0,-0.0188696975,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Au-Yb,,"Invalid WP multiplicities - A4B5_oP36_62_6c3d_4c10d:Au-Yb, expected Yb2Au to be Yb5Au4" +mp-568944,Yb5Au3,-2.9991981556,-0.8092372306000001,0.0,-0.0122480369,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Au-Yb,,A3B5_tI32_140_2a2h_2c2l:Au-Yb +mp-1187626,YbMg3,-1.61800406,-0.0328919525,0.0366705609,0.0366705609,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Yb,,A3B_tI8_139_ad_b:Mg-Yb +mp-972099,YbMg3,-1.6225890113,-0.0374769038,0.0320856096,0.0320856096,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Yb,,A3B_hP8_194_h_c:Mg-Yb +mp-1187661,YbMg3,-1.625819725,-0.0407076175,0.0288548959,0.0288548959,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Yb,,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Yb, expected YbMg5 to be YbMg3" +mp-1187633,YbMg,-1.6238330925,-0.0538889275,0.0094807275,0.0094807275,GGA,Pmma,AB_oP4_51_e_f:Mg-Yb,,AB_oP4_51_e_f:Mg-Yb +mp-1187573,YbMg,-1.627746455,-0.05780229,0.005567365,0.005567365,GGA,P4/mmm,AB_tP2_123_a_d:Mg-Yb,,AB_tP2_123_a_d:Mg-Yb +mp-972352,YbMg,-1.629126115,-0.05918195,0.004187705,0.004187705,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Yb,,AB_cP2_221_a_b:Mg-Yb +mp-1084808,YbAu,-3.36271544,-0.9559703,0.0,-0.0709436508,GGA,Pnma,AB_oP8_62_c_c:Au-Yb,,AB_oP8_62_c_c:Au-Yb +mp-2818,YbAu,-3.355108755,-0.948363615,0.007606685,-0.0633369658,GGA,Pm-3m,AB_cP2_221_a_b:Au-Yb,,AB_cP2_221_a_b:Au-Yb +mp-1668,YbAu2,-3.5070214567,-0.8112306967,0.0,-0.0336793567,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Yb,,A2B_tI6_139_e_a:Au-Yb +mp-570119,Yb7Au3,-2.7352325950000003,-0.675342199,0.0,-0.019701619,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Au-Yb,,A3B7_hP20_186_c_b2c:Au-Yb +mp-980663,Yb2Mg,-1.569041065,-0.0092088617,0.033037575,0.033037575,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Yb,,AB2_mC12_12_i_2i:Mg-Yb +mp-1187902,Yb2Mg,-1.56879113,-0.0089589267,0.03328751,0.03328751,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Yb,,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Yb, expected Yb3Mg to be Yb2Mg" +mp-1187899,Yb2Mg,-1.5731010667,-0.0132688633,0.0289775733,0.0289775733,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Yb,,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Yb, expected Yb4Mg to be Yb2Mg" +mp-1187900,Yb2Mg,-1.568732675,-0.0089004717,0.033345965,0.033345965,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Yb,,AB2_oC12_63_c_g:Mg-Yb +mp-11080,YbMgAu,-2.853589885,-0.7156664417,0.0,-0.056002186,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Mg-Yb,,ABC_oP12_62_c_c_c:Au-Mg-Yb +mp-19725,Hf(FeGe)6,-7.0409811238,-0.2320977838,0.0,-0.0056006754,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Hf,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_cd2e_a:Fe-Ge-Hf, expected Hf(Fe3Ge4)2 to be Hf(FeGe)6" +mp-1194083,Hf4Fe4Ge7,-7.562123982,-0.4907882523,0.0,-0.0175427273,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Fe-Ge-Hf,30.0,A4B7C4_tI60_139_k_ehij_hi:Fe-Ge-Hf +mp-22191,HfFeGe,-8.2271670811,-0.5437543828,0.0,-0.0574219056,GGA,P-62m,ABC_hP9_189_f_bc_g:Fe-Ge-Hf,9.0,ABC_hP9_189_f_bc_g:Fe-Ge-Hf +mp-1203443,HfFeGe2,-7.3739347981,-0.4556183106,0.0044956759,0.0044956759,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Hf,48.0,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Hf +mp-1189596,Pr2Zn5Pb,-2.8339153781,-0.3872682994,0.0,-0.0145280257,GGA,Cmcm,AB2C5_oC32_63_c_ac_c2f:Pb-Pr-Zn,16.0,AB2C5_oC32_63_c_ac_c2f:Pb-Pr-Zn +mp-971775,ZnPb3,-2.978648435,0.12077277,0.12077277,0.12077277,GGA,I4/mmm,A3B_tI8_139_ad_b:Pb-Zn,4.0,A3B_tI8_139_ad_b:Pb-Zn +mp-971901,ZnPb3,-2.98734627,0.112074935,0.112074935,0.112074935,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Zn,8.0,A3B_hP8_194_h_c:Pb-Zn +mp-1187949,ZnPb3,-2.9887297275,0.1106914775,0.1106914775,0.1106914775,GGA,Fm-3m,A3B_cF16_225_ac_b:Pb-Zn,4.0,A3B_cF16_225_ac_b:Pb-Zn +mp-1213200,Dy3(Al3Os)4,-6.0476652034,-0.5909946666,0.0,-0.0608485366,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Dy-Os,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Dy-Os +mp-865157,Dy2ZnIn,-3.70721041,-0.400960155,0.0,-0.00308519,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-In-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-In-Zn +mp-1018681,DyZnIn,-3.304961835,-0.432223775,0.0,-0.0157492957,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Dy-In-Zn,6.0,ABC_hP6_194_a_c_d:Dy-In-Zn +mp-843,Th2Fe17,-8.3767633505,-0.0179171889,0.0162854826,0.0162854826,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Th,19.0,A17B2_hR57_166_cdfh_c:Fe-Th +mp-30638,ThFe3,-8.2638178617,-0.0578373917,0.0083734859,0.0083734859,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Th,12.0,A3B_hR36_166_ach_bc:Fe-Th +mp-1217300,ThAl2Fe3,-7.0183063233,-0.2991274,0.0,-0.0390741478,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Al-Fe-Th,6.0,A2B3C_oC12_65_e_ah_c:Al-Fe-Th +mp-1062988,ThFe2,-7.8119931833,0.3059737067,0.3827803846,0.3827803846,GGA,I4/mmm,A2B_tI6_139_d_a:Fe-Th,3.0,A2B_tI6_139_d_a:Fe-Th +mp-2689,ThFe5,-8.34814828,-0.05415423,0.0,-0.0071450219,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Th,6.0,"Invalid WP multiplicities - A5B_hP6_191_c2g_a:Fe-Th, expected ThFe8 to be ThFe5" +mp-4703,Th(Al2Fe)4,-5.8896290262,-0.4082021238,0.0,-0.0533263528,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Th,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Th +mp-1189139,Th2Fe7,-8.2962636983,-0.0609453683,0.0017335758,0.0004249002,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Fe-Th,18.0,A7B2_hR54_166_a2cdh_2c:Fe-Th +mp-30639,Th2Fe7,-8.2979972742,-0.0626789442,0.0,-0.0013086757,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Fe-Th,36.0,A7B2_hP36_194_aefhk_2f:Fe-Th +mp-568030,Th(Al5Fe)2,-5.1035950296,-0.3490058781,0.0,-0.0116958277,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Th,26.0,"Invalid WP multiplicities - A10B2C_oC52_63_3e8f7g_d_c:Al-Fe-Th, expected Th(Al18Fe)2 to be Th(Al5Fe)2" +mp-18014,Th7Fe3,-7.8541353375,-0.1234281995,0.0,-0.0992520353,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Fe-Th,20.0,A3B7_hP20_186_c_b2c:Fe-Th +mp-1206704,MoPd2,-7.1718638467,-0.1033926033,0.0,-0.061116595,GGA,Immm,AB2_oI6_71_a_e:Mo-Pd,3.0,AB2_oI6_71_a_e:Mo-Pd +mp-1221422,MoPd,-7.921806745,0.090959215,0.1685036675,0.1685036675,GGA,R-3m,AB_hR6_166_a_b:Mo-Pd,2.0,AB_hR6_166_a_b:Mo-Pd +mp-1221413,MoPd,-7.97263107,0.04013489,0.1176793425,0.1176793425,GGA,P-6m2,AB_hP2_187_a_d:Mo-Pd,2.0,AB_hP2_187_a_d:Mo-Pd +mp-1221442,MoPd4,-6.36376668,-0.05073121,0.011304352,0.011304352,GGA,R-3m,AB4_hR15_166_a_2c:Mo-Pd,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Mo-Pd, expected MoPd6 to be MoPd4" +mp-1221429,MoPd3,-6.6307975575,-0.0344736725,0.04307078,0.04307078,GGA,R-3m,AB3_hR12_166_a_bc:Mo-Pd,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mo-Pd, expected MoPd5 to be MoPd3" +mp-1093708,Ti2MoPd,-4.9456432625,3.0084857258,3.4009914575,3.3740647071,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Pd-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Pd-Ti +mp-1187417,Ti2MoPd,-8.34663472,-0.3925057317,0.0,-0.0269267504,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Pd-Ti,4.0,ABC2_cF16_225_a_b_c:Mo-Pd-Ti +mp-1186014,Mo3Pd,-9.319913595,0.10929444,0.1480666663,0.1480666663,GGA,Pm-3m,A3B_cP4_221_c_a:Mo-Pd,4.0,A3B_cP4_221_c_a:Mo-Pd +mp-1218043,Ta3SiNi8,-7.4872340317,-0.217255335,0.2239866041,0.2239866041,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Ni-Si-Ta,12.0,A8BC3_hP12_156_2b2d_a_a2c:Ni-Si-Ta +mp-1218039,Ta2SiNi3,-8.2140528417,-0.4671722867,0.0321330786,0.0321330786,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Ni-Si-Ta,12.0,A3BC2_hP12_194_h_a_f:Ni-Si-Ta +mp-1208557,TaSiNi,-8.3507134958,-0.6629693825,0.0,-0.0856088156,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-Ta,12.0,ABC_oP12_62_c_c_c:Ni-Si-Ta +mp-505600,Ta3SiNi2,-9.1666930733,-0.40687236,0.0421626312,0.0421626312,GGA,Fd-3m,A2BC3_cF96_227_e_c_f:Ni-Si-Ta,24.0,A2BC3_cF96_227_e_c_f:Ni-Si-Ta +mp-4502,Ta6Si7Ni16,-7.5559559955,-0.6040222414,0.0,-0.0669885723,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ni-Si-Ta,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_3f_ad_e:Ni-Si-Ta, expected Ta6Si7Ni24 to be Ta6Si7Ni16" +mp-862863,Pa3Te,-8.3875479575,-0.4657229892,0.0,-0.2185266017,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Te,4.0,A3B_cP4_221_c_a:Pa-Te +mp-864791,PaAgTe2,-5.245837295,-0.5873791825,0.0,-0.0656705823,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pa-Te,4.0,ABC2_cF16_225_a_b_c:Ag-Pa-Te +mp-862866,PaTe3,-5.4777347475,-0.7415891625000001,0.0,-0.5863481661000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Te,8.0,AB3_hP8_194_c_h:Pa-Te +mp-1096256,Sc2PdRh,-4.66544431,1.6368376625,2.6063285925,2.6063285925,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Pd-Rh-Sc +mp-1186951,Sc2PdRh,-7.2553514075,-0.953069435,0.016421495,0.016421495,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Sc +mp-1025526,LuAu3,-4.3078306438,-0.7221815137,0.0,-0.0103734575,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Lu,8.0,A3B_oP8_59_ae_b:Au-Lu +mp-11249,LuAu,-4.80194023,-0.90452397,0.0,-0.1206885808,GGA,Pm-3m,AB_cP2_221_a_b:Au-Lu,2.0,AB_cP2_221_a_b:Au-Lu +mp-1068773,LuAu4,-4.12728313,-0.603987426,0.0,-0.026242215,GGA,I4/m,A4B_tI10_87_h_a:Au-Lu,5.0,A4B_tI10_87_h_a:Au-Lu +mp-1018152,LuAu2,-4.5810806133,-0.8915091067,0.0,-0.1085467742,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Lu,3.0,A2B_tI6_139_e_a:Au-Lu +mp-1101816,Lu2Au,-4.781422685,-0.6761616717000001,0.0,-0.0731456917,GGA,Pnma,AB2_oP12_62_c_2c:Au-Lu,12.0,AB2_oP12_62_c_2c:Au-Lu +mp-1072381,LuNi4Au,-5.57162284,-0.4190596333,0.0,-0.0260460442,GGA,F-43m,ABC4_cF24_216_a_c_e:Au-Lu-Ni,6.0,ABC4_cF24_216_a_c_e:Au-Lu-Ni +mp-1186473,Pm2PdAu,-5.2639108025,-0.7751986887000001,0.0,-0.2778259483,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Pm,4.0,ABC2_cF16_225_a_b_c:Au-Pd-Pm +mp-1185147,La3Sm,-4.85598286,0.0256690025,0.0256690025,0.0256690025,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Sm,4.0,A3B_tI8_139_ad_b:La-Sm +mp-1185166,LaSm3,-4.7388621462,0.0340792313,0.0340792313,0.0340792313,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Sm,8.0,AB3_hP8_194_c_h:La-Sm +mp-1185038,LaSmTl2,-3.9979994,-0.4030295167,0.0001116675,0.0001116675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:La-Sm-Tl +mp-1096322,Sc2AgRh,-3.9638398075,1.7516107133,2.4107228725,2.4107228725,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Rh-Sc +mp-976419,Hf3Bi,-8.45235729,-0.024343235,0.0746035554,0.0746035554,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Hf,4.0,AB3_tI8_139_a_bd:Bi-Hf +mp-1184713,Hf3Bi,-8.440797845,-0.01278379,0.0861630004,0.0861630004,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Hf,8.0,AB3_hP8_194_c_h:Bi-Hf +mp-1072744,Hf2Bi,-8.04336976,-0.1250806967,0.0068483572,0.0068483572,GGA,C2/m,AB2_mC12_12_i_2i:Bi-Hf,6.0,AB2_mC12_12_i_2i:Bi-Hf +mp-1184694,HfBi3,-5.212012635,0.15765147,0.2617073616,0.2617073616,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Hf,4.0,A3B_tI8_139_ad_b:Bi-Hf +mp-961721,HfBiRh,-7.0314010533,0.02259429,0.5948551567,0.5948551567,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Hf-Rh,3.0,ABC_cF12_216_a_c_b:Bi-Hf-Rh +mp-1212407,HfBi,-7.0967326608,-0.1978935808,0.0,-0.0659826381,GGA,Cmcm,AB_oC24_63_cf_cf:Bi-Hf,12.0,AB_oC24_63_cf_cf:Bi-Hf +mp-1192314,HfBi2,-6.0181302854,-0.1387411888,0.0,-0.0068121349,GGA,Pnnm,A2B_oP24_58_4g_2g:Bi-Hf,24.0,A2B_oP24_58_4g_2g:Bi-Hf +mp-1185132,LaPr3,-4.80234806,0.0173330325,0.0173330325,0.0173330325,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Pr,4.0,AB3_tI8_139_a_bd:La-Pr +mp-1185044,LaPr3,-4.8034239475,0.016257145,0.016257145,0.016257145,GGA,Pm-3m,AB3_cP4_221_a_c:La-Pr,4.0,AB3_cP4_221_a_c:La-Pr +mp-1185045,LaPrIr2,-7.400177805,-0.5517325,0.1153899874,0.1153899874,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-La-Pr,4.0,A2BC_cF16_225_c_a_b:Ir-La-Pr +mp-1106136,GdGaPd2,-7.7494647913,-0.8834693206,0.0,-0.1006144886,GGA,Pnma,ABC2_oP16_62_c_c_d:Ga-Gd-Pd,16.0,ABC2_oP16_62_c_c_d:Ga-Gd-Pd +mp-1189271,Gd4Ga12Pd,-6.1734012453,-0.4191940076,0.1614715925,0.1614715925,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Gd-Pd,17.0,A12B4C_cI34_229_de_c_a:Ga-Gd-Pd +mp-11476,HoIr,-7.596864805,-0.8864432800000001,0.0,-0.0499840327,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Ir,2.0,AB_cP2_221_a_b:Ho-Ir +mp-1104687,Ho5Ir2,-6.4781362736,-0.6797201721,0.0,-0.0121428818,GGA,C2/c,A5B2_mC28_15_e2f_f:Ho-Ir,14.0,A5B2_mC28_15_e2f_f:Ho-Ir +mp-1197997,Ho5Ir3,-7.0153713853,-0.8369530241,0.0,-0.0400063107,GGA,P4/ncc,A5B3_tP32_130_bg_cf:Ho-Ir,32.0,A5B3_tP32_130_bg_cf:Ho-Ir +mp-1188086,Ho5Ir3,-6.9774990563,-0.799080695,0.0378723291,-0.0021339817,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Ir,16.0,A5B3_hP16_193_dg_g:Ho-Ir +mp-1187351,TbHoIr2,-7.55577581,-0.8323649775,0.0118828923,0.0118828923,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ir-Tb,4.0,AB2C_cF16_225_a_c_b:Ho-Ir-Tb +mp-928,HoIr2,-8.255559955,-0.8358008783,0.0,-0.2448386917,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Ir,6.0,AB2_cF24_227_a_d:Ho-Ir +mp-1198319,Ho3Ir2,-7.1145891389,-0.8297701449,0.0170809304,0.0170809304,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Ho-Ir,70.0,A3B2_tI140_140_bgh2m_acfh2l:Ho-Ir +mp-1189120,Ho3Ir,-6.2462421944,-0.5998269969000001,0.0,-0.0050718462,GGA,Pnma,A3B_oP16_62_cd_c:Ho-Ir,16.0,A3B_oP16_62_cd_c:Ho-Ir +mp-1212267,Ho4Ir,-5.331578099,0.102035833,0.5818974305,0.5818974305,GGA,Fd-3m,A4B_cF40_227_e_a:Ho-Ir,10.0,A4B_cF40_227_e_a:Ho-Ir +mp-6987,Sr(GaTe2)2,-3.8903916714,-0.9876903755,0.0,-0.018513685,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Ga-Sr-Te,14.0,A2BC4_oC28_66_l_a_kl:Ga-Sr-Te +mp-33880,Sr(GaTe2)2,-3.8783043943,-0.9756030983,0.0120872771,-0.0064264079,GGA,I422,A2BC4_tI14_97_c_a_j:Ga-Sr-Te,7.0,A2BC4_tI14_97_c_a_j:Ga-Sr-Te +mp-866216,CaDyRh2,-5.95467381,-0.6194231950000001,0.0,-0.001942092,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Dy-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Dy-Rh +mp-1097617,LiSc2Hg,-1.78607114,1.9333142204,2.17602833,2.17602833,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Li-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-Li-Sc +mp-863659,LiScHg2,-2.613030885,-0.4008427096,0.0008277725,0.0008277725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Sc,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Sc +mp-861910,Sc3Hg,-5.049372525,-0.224100605,0.0,-0.0093321825,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Sc,8.0,AB3_hP8_194_c_h:Hg-Sc +mp-1186967,Sc3Hg,-5.0428321675,-0.2175602475,0.0065403575,-0.002791825,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Sc,4.0,AB3_cP4_221_a_c:Hg-Sc +mp-11471,ScHg,-3.74761158,-0.429536845,0.0,-0.2017478744,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Sc,2.0,AB_cP2_221_a_b:Hg-Sc +mp-30722,ScHg3,-2.0423548863,-0.2314773362,0.0,-0.0167089137,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Sc,8.0,A3B_hP8_194_h_c:Hg-Sc +mp-1104610,Eu5Pd2,-9.2980615943,-0.4916655057,0.0,-0.0373485005,GGA,C2/c,A5B2_mC28_15_e2f_f:Eu-Pd,14.0,A5B2_mC28_15_e2f_f:Eu-Pd +mp-1025079,EuAsPd,-7.7317860733,-1.033118735,0.0,-0.0609396956,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Eu-Pd,6.0,ABC_hP6_194_c_a_d:As-Eu-Pd +mp-1018147,EuPd,-8.4191872325,-0.7007454275,0.0,-0.0335943942,GGA,Cmcm,AB_oC8_63_c_c:Eu-Pd,4.0,AB_oC8_63_c_c:Eu-Pd +mp-1225764,Eu3Pd,-9.30698402,-0.3192622175,0.1109450999999999,0.1109450999999999,GGA,R-3m,A3B_hR12_166_ac_b:Eu-Pd,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Eu-Pd, expected Eu5Pd to be Eu3Pd" +mp-636279,EuPd3,-6.986583325,-0.5374215175,0.00182579,0.00182579,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Pd,4.0,AB3_cP4_221_a_c:Eu-Pd +mp-1105286,Eu3Pd2,-8.862197611300001,-0.6360438073,0.0,-0.03286901,GGA,R-3,A3B2_hR45_148_acf_f:Eu-Pd,15.0,A3B2_hR45_148_acf_f:Eu-Pd +mp-672213,Eu(AsPd)2,-6.788563708,-0.801563262,0.00704624,-0.017345357,GGA,Cm,A2BC2_mC10_8_2a_a_2a:As-Eu-Pd,5.0,A2BC2_mC10_12_i_a_i:As-Eu-Pd +mp-1069444,Eu(AsPd)2,-6.795609948,-0.808609502,0.0,-0.024391597,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Eu-Pd,5.0,A2BC2_tI10_139_e_a_d:As-Eu-Pd +mp-1063311,EuPd2,-7.2786160233,-0.4063608833,0.3126355267,0.1855019375,GGA,I4/mmm,AB2_tI6_139_a_d:Eu-Pd,3.0,AB2_tI6_139_a_d:Eu-Pd +mp-1854,EuPd2,-7.59125155,-0.71899641,0.0,-0.1271335892,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-Pd,6.0,AB2_cF24_227_a_d:Eu-Pd +mp-1213373,Eu4Pd,-9.266903322,-0.02532552,0.318840334,0.318840334,GGA,Fd-3m,A4B_cF40_227_e_a:Eu-Pd,10.0,A4B_cF40_227_e_a:Eu-Pd +mp-612175,Eu3(AsPd)4,-7.3180023818,-0.9428199945,0.0,-0.0117509109,GGA,Pmmm,A4B3C4_oP11_47_ik_dl_cei:As-Eu-Pd,11.0,"Invalid WP multiplicities - A4B3C4_oP11_47_2i2k_dl_cei:As-Eu-Pd, expected Eu3(As2Pd)4 to be Eu3(AsPd)4" +mp-1097477,ScGePd2,-3.8559693875,1.4728457575,2.3133304052,2.3133304052,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Ge-Pd-Sc +mp-1095898,Sc2GePd,-4.023635665,1.5933263038,2.4833347422,2.4833347422,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Ge-Pd-Sc +mp-1078402,ScGePd,-6.3127945967,-0.9343350067,0.0,-0.1569282118,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Pd-Sc,9.0,ABC_hP9_189_ad_g_f:Ge-Pd-Sc +mp-21133,Np(MnGe)2,-7.996473756,0.1070994391,0.2457564139,0.2457564139,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Np,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Np +mp-977212,NpMn3,-9.881298635,0.2271577544,0.2271577544,0.2271577544,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-Np,4.0,A3B_cP4_221_c_a:Mn-Np +mp-1859,NpMn2,-10.2381479233,0.1857888318,0.1857888318,0.1857888318,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-Np,6.0,A2B_cF24_227_c_b:Mn-Np +mp-18222,Lu4Ge6Rh7,-6.6898807335,-0.9621087159,0.0,-0.1163908934,GGA,Im-3m,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Rh,17.0,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Rh +mp-20610,LuGeRh,-6.4954917433,-0.9927296617,0.0,-0.0487357112,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Lu-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Lu-Rh +mp-1222770,Lu4Ge8Rh,-5.3961926385,-0.5937055008000001,0.0498346691,0.0498346691,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Rh,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Rh +mp-1197583,Lu5(Ge5Rh2)2,-5.9318004426,-0.7585234621,0.0,-0.0191878247,GGA,P4/mbm,A10B5C4_tP38_127_gij_a2h_i:Ge-Lu-Rh,38.0,A10B5C4_tP38_127_gij_a2h_i:Ge-Lu-Rh +mp-1211064,Lu3(GeRh)2,-6.302974665,-0.9404713779,0.0178489513,0.0178489513,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Lu-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ge-Lu-Rh +mp-21750,Lu3Ge13Rh4,-5.6621054747,-0.506133217,0.0278312942,0.0278312942,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Lu-Rh,40.0,"Invalid WP multiplicities - A13B3C4_cP40_223_a2k_c_e:Ge-Lu-Rh, expected Lu3Ge25Rh4 to be Lu3Ge13Rh4" +mp-866128,NaTmTl2,-2.84162418,-0.2107124275,0.0,-0.0152604238,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Na-Tl-Tm +mp-976863,NaTm3,-3.3616587275,0.3258491634,0.3258491634,0.3258491634,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Tm,4.0,AB3_cF16_225_a_bc:Na-Tm +mp-977206,NaTm,-2.600174145,0.2990062134,0.2990062134,0.2990062134,GGA,P-6m2,AB_hP2_187_a_d:Na-Tm,2.0,AB_hP2_187_a_d:Na-Tm +mp-1205000,Nd11Cd45,-1.9517868519,-0.2735786205,0.0,-0.0132367804,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Nd,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Nd +mp-1062206,NdCd2,-2.1138487467,0.0907935708,0.4295143433,0.40122902,GGA,P-3m1,A2B_hP3_164_d_a:Cd-Nd,3.0,A2B_hP3_164_d_a:Cd-Nd +mp-1008865,NdCd2,-2.54336309,-0.3387207725,0.0,-0.0282853233,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Nd,3.0,A2B_hP3_191_c_b:Cd-Nd +mp-1186263,Nd3Cd,-3.9061480825,-0.0993150681,0.0599086863,0.0599086863,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Nd,4.0,AB3_tI8_139_a_bd:Cd-Nd +mp-1186265,Nd3Cd,-3.899868,-0.0930349856,0.0661887688,0.0661887688,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-Nd,8.0,AB3_hP8_194_c_h:Cd-Nd +mp-1059,NdCd,-3.163966105,-0.3184475087,0.0,-0.0644069294,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Nd,2.0,AB_cP2_221_a_b:Cd-Nd +mp-867224,CaNdCd2,-2.5185361925,-0.3636544844,0.0,-0.0273798675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Nd,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Nd +mp-1221195,NdCd6,-1.6786200915,-0.2064078069,0.0037088947,0.0037088947,GGA,Immm,A6B_oI168_71_efghij2l2m3n4o_lmn:Cd-Nd,84.0,"Invalid WP multiplicities - A6B_oI168_71_efghij2l2m3n7o_lmn:Cd-Nd, expected NdCd8 to be NdCd6" +mp-1198736,NdCd11,-1.3829313578,-0.1396034584,0.0,-0.0191989044,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Nd,36.0,A11B_cP36_221_agij_c:Cd-Nd +mp-581958,Nd13Cd58,-1.8758250627,-0.2488740387,0.0089135879,0.0089135879,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Cd-Nd,142.0,"Invalid WP multiplicities - A58B13_hP142_194_2b2c4f5g6h11i11j42k19l_2a9h7k:Cd-Nd, expected Nd71Cd657 to be Nd13Cd58" +mp-1186303,NdCd3,-2.1873084275,-0.3031042494,0.00332517,-0.0040352216,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Nd,8.0,A3B_hP8_194_h_c:Cd-Nd +mp-1186296,NdCd3,-2.1906335975,-0.3064294194,0.0,-0.0073603916,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Nd,4.0,A3B_cF16_225_ac_b:Cd-Nd +mp-1209551,Rb4Ge23,-4.166862945,-0.0834637985,0.0,-0.0266584293,GGA,Pm-3n,A23B4_cP54_223_cik_ad:Ge-Rb,54.0,A23B4_cP54_223_cik_ad:Ge-Rb +mp-974997,Rb3Ge,-1.6942784475,0.1968790706,0.2927381312,0.2927381312,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Rb,4.0,AB3_tI8_139_a_bd:Ge-Rb +mp-1186849,Rb3Ge,-1.68329222,0.2078652981,0.3037243587,0.3037243587,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Rb,8.0,AB3_hP8_194_c_h:Ge-Rb +mp-1120721,RbGeBr3,-3.512719443,-1.4601900595,0.006988031,-0.0159437055,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:Br-Ge-Rb,10.0,A3BC_mP10_11_ef_e_e:Br-Ge-Rb +mp-28558,RbGeBr3,-3.519707474,-1.4671780905,0.0,-0.0229317365,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:Br-Ge-Rb,20.0,"Invalid WP multiplicities - A3BC_oP20_33_6a_a_a:Br-Ge-Rb, expected RbGeBr6 to be RbGeBr3" +mp-862769,RbGe3,-3.7097242775,0.0026801319,0.117480708,0.117480708,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-Rb,8.0,A3B_hP8_194_h_c:Ge-Rb +mp-28589,Rb3Ge2Br7,-3.4890703452,-1.5674989921,0.0002403298,0.0002403298,GGA,P2_1/c,A7B2C3_mP48_14_7e_2e_3e:Br-Ge-Rb,48.0,"Invalid WP multiplicities - A7B2C3_mP48_14_12e_2e_4e:Br-Ge-Rb, expected Rb2GeBr6 to be Rb3Ge2Br7" +mp-1199056,RbGe,-2.9803361362,-0.1785551725,0.0131629486,-0.1295655516,GGA,I4_1/acd,AB_tI64_142_g_ef:Ge-Rb,32.0,AB_tI64_142_g_ef:Ge-Rb +mp-1888,RbGe,-2.9934990848,-0.1917181211,0.0,-0.1427285002,GGA,P-43n,AB_cP64_218_ei_ei:Ge-Rb,64.0,AB_cP64_218_ei_ei:Ge-Rb +mp-1060680,RbGe,-1.949218695,0.8525622688000001,1.0442803898,0.9015518896,GGA,Fm-3m,AB_cF8_225_a_b:Ge-Rb,2.0,AB_cF8_225_a_b:Ge-Rb +mp-1215664,YbCdAg,-2.1111909933,-0.3461729789,0.0004859229,0.0004859229,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ag-Cd-Yb,,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ag-Cd-Yb, expected Yb3(CdAg)2 to be YbCdAg" +mp-865739,YbCdAg2,-2.3531296025,-0.3212270908,0.0,-0.0164594246,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Yb,,A2BC_cF16_225_c_a_b:Ag-Cd-Yb +mp-865398,Ac2ZnIr,-4.9597966125,-0.3746646612,0.0,-0.2776616287,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ir-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Ir-Zn +mp-17794,HoGe2Ir,-6.4585260281,-0.7918013381,0.0,-0.0150007601,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Ho-Ir,16.0,"Invalid WP multiplicities - A2BC_oI32_71_e2fm_2e2i_m:Ge-Ho-Ir, expected Ho4Ge5Ir2 to be HoGe2Ir" +mp-29119,Ho5(Ge5Ir2)2,-6.0017834284,-0.5019908168,0.2698227734,0.2622801535,GGA,P4/mbm,A10B5C4_tP38_127_gij_agh_i:Ge-Ho-Ir,38.0,A10B5C4_tP38_127_gij_agh_i:Ge-Ho-Ir +mp-643659,Ho5(Ge5Ir2)2,-6.2716062018,-0.7718135903000001,0.0,-0.0075426199,GGA,P4/mbm,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Ir,38.0,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Ir +mp-1199072,Ho3Ge13Ir4,-5.970909354,-0.5108930817,0.0094048767,0.0094048767,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Ir,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Ir +mp-1189529,Ho4Ge6Ir7,-7.2324826847,-0.8832566924,0.0,-0.0946037026,GGA,Im-3m,A6B4C7_cI34_229_e_c_ad:Ge-Ho-Ir,17.0,A6B4C7_cI34_229_e_c_ad:Ge-Ho-Ir +mp-30171,Ho4Ge9Ir13,-7.3878306392,-0.6633486963,0.0,-0.0101257706,GGA,Pmmn,A9B4C13_oP52_59_2ab3e_abe_2ab5e:Ge-Ho-Ir,52.0,"Invalid WP multiplicities - A9B4C13_oP52_59_3ab5e_abe_2ab7e:Ge-Ho-Ir, expected Ho4Ge14Ir17 to be Ho4Ge9Ir13" +mp-29118,Ho3Ge3Ir2,-6.5907770956,-0.9291297787,0.0,-0.0062338725,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Ge-Ho-Ir,16.0,A3B3C2_oC32_63_cf_cf_f:Ge-Ho-Ir +mp-21073,HoGeIr,-6.9578155883,-0.9431919533,0.0,-0.0351863627,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Ir,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Ir +mp-1206734,LiInPt,-4.0878723067,-0.5106256678000001,0.0324991778,0.0324991778,GGA,P-6m2,ABC_hP3_187_b_c_e:In-Li-Pt,3.0,ABC_hP3_187_b_c_e:In-Li-Pt +mp-21026,Li2InPt,-3.7283677975,-0.5682021017000001,0.0,-0.0842320297,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-Li-Pt,4.0,AB2C_cF16_216_a_bc_d:In-Li-Pt +mp-20265,LiIn2Pt,-3.861175935,-0.4903200233,0.0,-0.0217754406,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Pt,4.0,A2BC_cF16_225_c_a_b:In-Li-Pt +mp-862774,LiInPt2,-4.7508851925,-0.5501668833,0.0,-0.0106798625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Pt,4.0,ABC2_cF16_225_a_b_c:In-Li-Pt +mp-1184547,Hf3Se,-8.5599683625,-0.2180987206,0.50644829,0.50644829,GGA,Pm-3m,A3B_cP4_221_c_a:Hf-Se,4.0,A3B_cP4_221_c_a:Hf-Se +mp-32873,Hf23Se25,-7.9960083735,-1.4040680687,0.0,-0.0205062406,GGA,P1,A23B25_aP48_1_23a_25a:Hf-Se,48.0,A23B25_aP48_1_23a_25a:Hf-Se +mp-1206927,Hf2Se,-8.7694925267,-0.9660626808,0.0,-0.0674591168,GGA,P6_3/mmc,A2B_hP6_194_f_b:Hf-Se,6.0,A2B_hP6_194_f_b:Hf-Se +mp-985831,HfSe2,-7.30967717,-1.6600065082,0.0,-0.1860318919,GGA,P-3m1,AB2_hP3_164_a_d:Hf-Se,3.0,AB2_hP3_164_a_d:Hf-Se +mp-1224485,Hf2Se3,-7.6402617445,-1.5598392459,0.0,-0.0168331672,GGA,Cc,A2B3_mC40_9_4a_6a:Hf-Se,20.0,"Invalid WP multiplicities - A2B3_mC40_9_6a_12a:Hf-Se, expected HfSe2 to be Hf2Se3" +mp-15622,HfSe3,-6.477874695,-1.3666438293,0.0,-0.1216389481,GGA,P2_1/m,AB3_mP8_11_e_3e:Hf-Se,8.0,AB3_mP8_11_e_3e:Hf-Se +mp-7917,HfGeSe,-7.116191865,-1.0908157441,0.0,-0.0246974342,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Hf-Se,6.0,ABC_tP6_129_a_c_c:Ge-Hf-Se +mp-1096639,ZnGeRu2,-3.4999885875,2.6079055488,2.8053935519,2.8053935519,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Ru-Zn,4.0,AB2C_oI8_71_a_e_b:Ge-Ru-Zn +mp-21718,Sr2In4Pt3,-4.3115538853,-0.6894292423,0.0,-0.0237388203,GGA,P-62m,A4B3C2_hP36_189_agjk_2fk_cfg:In-Pt-Sr,36.0,"Invalid WP multiplicities - A4B3C2_hP36_189_ag3jk_3fk_cfg:In-Pt-Sr, expected Sr8In28Pt15 to be Sr2In4Pt3" +mp-21124,SrIn4Pt,-3.6117035825,-0.4838099669,0.0,-0.0239327477,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Pt-Sr,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2ac2f_c_c:In-Pt-Sr, expected SrIn7Pt to be SrIn4Pt" +mp-20533,SrIn2Pt,-3.9804678675,-0.6644693092,0.0,-0.0356444031,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Pt-Sr,8.0,A2BC_oC16_63_f_c_c:In-Pt-Sr +mp-22284,SrInPt,-4.2692342975,-0.7651307964,0.0,-0.0177731192,GGA,Pnma,ABC_oP12_62_c_c_c:In-Pt-Sr,12.0,ABC_oP12_62_c_c_c:In-Pt-Sr +mp-20393,Sr2InPt2,-4.468255827,-0.8136683717000001,0.0,-0.0394095098,GGA,C2/c,AB2C2_mC20_15_e_f_f:In-Pt-Sr,10.0,AB2C2_mC20_15_e_f_f:In-Pt-Sr +mp-1212183,Li7Al6,-1.1525716054,1.6040372444000002,1.7845758677,1.7845758677,GGA,Cmmm,A6B7_oC26_65_kp_akp:Al-Li,13.0,A6B7_oC26_65_kp_akp:Al-Li +mp-861948,LiPm2Al,-3.98635804,-0.1974622046,0.0,-0.0125298269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Pm,4.0,ABC2_cF16_225_a_b_c:Al-Li-Pm +mp-975906,LiAl3,-3.36660533,-0.0801927408,0.0188050775,0.0086266175,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Li,4.0,A3B_tI8_139_ad_b:Al-Li +mp-10890,LiAl3,-3.3854104075,-0.0989978183,0.0,-0.01017846,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Li,4.0,A3B_cP4_221_c_a:Al-Li +mp-1191737,LiAl,-2.8579932675,-0.0307439192,0.1468947975,0.1298115104,GGA,Cmce,AB_oC48_64_fg_def:Al-Li,24.0,AB_oC48_64_fg_def:Al-Li +mp-1079240,LiAl,-2.918266955,-0.0910176067,0.08662111,0.0695378229,GGA,P6_3/mmc,AB_hP8_194_bc_f:Al-Li,8.0,AB_hP8_194_bc_f:Al-Li +mp-1067,LiAl,-3.004888065,-0.1776387167,0.0,-0.0170832871,GGA,Fd-3m,AB_cF16_227_a_b:Al-Li,4.0,AB_cF16_227_a_b:Al-Li +mp-862929,Li2PmAl,-3.26638464,-0.1878936685,0.0,-0.0197108533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Li-Pm,4.0,AB2C_cF16_225_a_c_b:Al-Li-Pm +mp-568404,Li9Al4,-2.6188782462,-0.1448313908,0.0055533805,0.0055533805,GGA,C2/m,A4B9_mC26_12_2i_a4i:Al-Li,13.0,"Invalid WP multiplicities - A4B9_mC26_12_2i_a6i:Al-Li, expected Li13Al4 to be Li9Al4" +mp-975868,Li3Al,-2.4477683025,-0.079682195,0.0425054317,0.0425054317,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Li,4.0,AB3_tI8_139_a_bd:Al-Li +mp-1211134,LiAl2,-2.8925740792,0.2407840964,0.3659955475,0.3659955475,GGA,Fd-3m,A2B_cF48_227_e_c:Al-Li,12.0,A2B_cF48_227_e_c:Al-Li +mp-16506,Li3Al2,-2.828762526,-0.185178474,0.0,-0.016372886,GGA,R-3m,A2B3_hR15_166_c_ac:Al-Li,5.0,A2B3_hR15_166_c_ac:Al-Li +mp-1210753,Li2Al,-2.6840573567,-0.1629168356,0.0,-0.0068779217,GGA,Cmcm,AB2_oC12_63_c_2c:Al-Li,6.0,AB2_oC12_63_c_2c:Al-Li +mp-1210792,Li2Al,-2.3552185417,0.1659219794,0.328838815,0.3219608933,GGA,Fd-3m,AB2_cF48_227_c_e:Al-Li,12.0,AB2_cF48_227_c_e:Al-Li +mp-20111,EuAl2,-6.3046106117,-0.3885594583,0.0,-0.0955572172,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Eu,6.0,A2B_cF24_227_c_b:Al-Eu +mp-1213330,Eu4Al,-8.625315228,0.329401378,0.44915171,0.44915171,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Eu,10.0,AB4_cF40_227_a_e:Al-Eu +mp-582799,EuAl4,-5.335764394,-0.28790337,0.0,-0.054767695,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Eu,5.0,A4B_tI10_139_de_a:Al-Eu +mp-1225559,Eu(AlZn)2,-4.396197096,-0.34266896,0.0,-0.0547578505,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Eu-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-Eu-Zn +mp-1189619,EuAl,-7.300664645,-0.29937583,0.0,-0.0079562362,GGA,Pmmn,AB_oP20_59_aef_b2e:Al-Eu,20.0,AB_oP20_59_aef_b2e:Al-Eu +mp-1079783,EuAl,-7.23160575,-0.230316935,0.069058895,0.0611026588,GGA,Cmcm,AB_oC8_63_c_c:Al-Eu,4.0,AB_oC8_63_c_c:Al-Eu +mp-1184111,Dy2MgCd,-3.12488296,-0.1906970875,0.0082427075,0.0082427075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Dy-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Dy-Mg +mp-867773,DyMgCd2,-2.3198422,-0.3066305975,0.0,-0.0672166918,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Dy-Mg +mp-980203,TiOs3,-10.528164345,-0.1337657683,0.2197645525,0.2197645525,GGA,Pm-3m,A3B_cP4_221_c_a:Os-Ti,4.0,A3B_cP4_221_c_a:Os-Ti +mp-865899,Ti3Os,-9.0707090475,-0.3422481775,0.0112821433,0.0112821433,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Ti,4.0,AB3_cF16_225_a_bc:Os-Ti +mp-1097106,Ti2MoOs,-5.736346435,3.7296539583,4.137294655,4.1322679136,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Os-Ti +mp-1187420,Ti2MoOs,-9.87364109,-0.4076406967,0.0,-0.0050267414,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Os-Ti,4.0,ABC2_cF16_225_a_b_c:Mo-Os-Ti +mp-1101941,TiOs2,-10.3150822442,-0.1983399519,0.2730338092,0.2730338092,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Ti,12.0,A2B_hP12_194_ah_f:Os-Ti +mp-801,Mo3Os,-10.9299391825,0.0111402575,0.0111402575,0.0111402575,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Os,8.0,A3B_cP8_223_c_a:Mo-Os +mp-291,TiOs,-10.268490365,-0.7070606417,0.0,-0.4511573995,GGA,Pm-3m,AB_cP2_221_a_b:Os-Ti,2.0,AB_cP2_221_a_b:Os-Ti +mp-1221418,MoOs,-10.958323275,0.078185495,0.078185495,0.078185495,GGA,P-6m2,AB_hP2_187_a_d:Mo-Os,2.0,AB_hP2_187_a_d:Mo-Os +mp-1221719,Mo3Os2,-10.9842586683,0.0140783697,0.0140783697,0.0140783697,GGA,Cmm2,A3B2_oC60_35_2d3e2f_abd2f:Mo-Os,30.0,"Invalid WP multiplicities - A3B2_oC60_35_2d3e4f_abd4f:Mo-Os, expected Mo13Os10 to be Mo3Os2" +mp-1187475,Ti3Be,-6.8570633025,-0.0005910738,0.0720774298,0.0720774298,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Ti,4.0,AB3_tI8_139_a_bd:Be-Ti +mp-978963,Ti3Be,-6.854882125,0.0015901037,0.0742586073,0.0742586073,GGA,P6_3/mmc,AB3_hP8_194_c_h:Be-Ti,8.0,AB3_hP8_194_c_h:Be-Ti +mp-30566,Ti2Co,-7.1933750133,0.4397255961,0.7246293708,0.7067389722,GGA,Fd-3m,AB2_cF24_227_a_d:Co-Ti,6.0,AB2_cF24_227_a_d:Co-Ti +mp-1191331,Ti2Co,-7.9180043842,-0.2849037747,0.0,-0.0178903986,GGA,Fd-3m,AB2_cF96_227_e_cf:Co-Ti,24.0,AB2_cF96_227_e_cf:Co-Ti +mp-11279,TiBe,-5.95775061,-0.1402981692,0.0050388379,0.0050388379,GGA,Pm-3m,AB_cP2_221_a_b:Be-Ti,2.0,AB_cP2_221_a_b:Be-Ti +mp-1104067,TiBe12,-4.2068260892,-0.1477148279,0.0,-0.002469429,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Ti,13.0,A12B_tI26_139_fij_a:Be-Ti +mp-11280,TiBe12,-4.1212434808,-0.0621322195,0.0855826085,0.0831131794,GGA,P6/mmm,A12B_hP13_191_cdei_a:Be-Ti,13.0,A12B_hP13_191_cdei_a:Be-Ti +mp-12648,Ti2Be17,-4.3755055337,-0.1986106527,0.0001462089,-0.0415483984,GGA,R-3m,A17B2_hR57_166_cdfh_c:Be-Ti,19.0,A17B2_hR57_166_cdfh_c:Be-Ti +mp-1201649,Ti2Be17,-4.3756517426,-0.1987568617,0.0,-0.0416946073,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Be-Ti,38.0,A17B2_hP38_194_fgjk_bc:Be-Ti +mp-823,TiCo,-7.90242497,-0.4005200642,0.0,-0.1056698913,GGA,Pm-3m,AB_cP2_221_a_b:Co-Ti,2.0,AB_cP2_221_a_b:Co-Ti +mp-1079863,TiCo3,-7.530153235,-0.2250418846,0.03666107,0.0035555438,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Ti,8.0,A3B_hP8_194_h_c:Co-Ti +mp-608,TiCo3,-7.566814305,-0.2617029546,0.0,-0.0331055262,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Ti,4.0,A3B_cP4_221_c_a:Co-Ti +mp-1208281,Ti4Be,-6.3842187,0.6800574863000001,0.7381922892,0.7381922892,GGA,Fd-3m,AB4_cF40_227_a_e:Be-Ti,10.0,AB4_cF40_227_a_e:Be-Ti +mp-2749,TiBe2,-5.3185552583,-0.1937826761,0.0,-0.0104826889,GGA,Fd-3m,A2B_cF24_227_c_b:Be-Ti,6.0,A2B_cF24_227_c_b:Be-Ti +mp-1191422,TiCo2,-7.6755057733,-0.3047965711,0.0031787533,0.0031787533,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Co-Ti,24.0,A2B_hP24_194_fgh_ef:Co-Ti +mp-695,TiCo2,-7.6730837517,-0.3023745494,0.005600775,0.005600775,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Ti,6.0,A2B_cF24_227_c_b:Co-Ti +mp-866152,TiBeCo2,-6.8974455575,-0.4345604396,0.0,-0.0813627675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Co-Ti,4.0,AB2C_cF16_225_a_c_b:Be-Co-Ti +mp-1208254,Ti4Co,-7.245449192,0.4926079803,0.6635502452,0.6635502452,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Ti,10.0,AB4_cF40_227_a_e:Co-Ti +mp-1208216,TiCo4,-6.537779083,0.7279735563,0.93733592,0.93733592,GGA,Fd-3m,A4B_cF40_227_e_a:Co-Ti,10.0,A4B_cF40_227_e_a:Co-Ti +mp-1103465,TiBe3,-4.9832335492,-0.2048008962,0.0,-0.0092007293,GGA,R-3m,A3B_hR36_166_ach_bc:Be-Ti,12.0,A3B_hR36_166_ach_bc:Be-Ti +mp-862991,Pm2AgRu,-5.6410872350000005,-0.2390764379,0.0,-0.171311189,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Ru +mp-570417,Bi6PtCl10,-3.9732143995,-1.1732476524,0.0,-0.0202679318,GGA,Pnma,A6B10C_oP136_62_2c5d_2c9d_ac:Bi-Cl-Pt,136.0,"Invalid WP multiplicities - A6B10C_oP136_62_8c37d_8c69d_2a2c:Bi-Cl-Pt, expected Bi41Pt2Cl73 to be Bi6PtCl10" +mp-582988,Bi12PtCl12,-3.9188626792,-0.9452849672,0.0041500877,0.0041500877,GGA,P1,A12B12C_aP25_1_12a_12a_a:Bi-Cl-Pt,25.0,A12B12C_aP25_1_12a_12a_a:Bi-Cl-Pt +mp-684670,PtCl2,-3.7439657417,-0.4878968617,0.2934810472,0.2727381893,GGA,P-1,A2B_aP6_2_2i_i:Cl-Pt,6.0,"Invalid WP multiplicities - A2B_aP6_2_3i_i:Cl-Pt, expected PtCl3 to be PtCl2" +mp-23290,PtCl2,-4.0374467889,-0.7813779089,0.0,-0.020742858,GGA,R-3m,A2B_hR54_166_fh_h:Cl-Pt,18.0,A2B_hR54_166_fh_h:Cl-Pt +mp-1179938,PtCl2,-3.4579805983,-0.2019117183,0.5794661906,0.5587233326000001,GGA,C2/m,A2B_mC36_12_gi2j_ij:Cl-Pt,18.0,"Invalid WP multiplicities - A2B_mC36_12_g2i3j_2i2j:Cl-Pt, expected Pt2Cl3 to be PtCl2" +mp-1219748,PtCl2,-3.9936418,-0.73757292,0.0438049889,0.0230621309,GGA,C2/m,A2B_mC12_12_2i_i:Cl-Pt,6.0,A2B_mC12_12_2i_i:Cl-Pt +mp-567484,PtCl2,-3.9934177783,-0.7373488983,0.0440290106,0.0232861526,GGA,Pnnm,A2B_oP6_58_g_a:Cl-Pt,6.0,A2B_oP6_58_g_a:Cl-Pt +mp-1186783,Pt3Cl,-4.539931135,0.47555302,0.7685697358,0.7685697358,GGA,Fm-3m,AB3_cF16_225_a_bc:Cl-Pt,4.0,AB3_cF16_225_a_bc:Cl-Pt +mp-31134,PtCl3,-3.7599002573,-0.8557144323,0.0,-0.2696810006,GGA,R-3,A3B_hR144_148_6f_2f:Cl-Pt,48.0,A3B_hR144_148_6f_2f:Cl-Pt +mp-680506,PtCl4,-3.0892702373,-0.3962142453,0.2883573006,0.2883573006,GGA,Pa-3,A4B_cP40_205_cd_c:Cl-Pt,40.0,"Invalid WP multiplicities - A4B_cP40_205_7c8d_c:Cl-Pt, expected PtCl31 to be PtCl4" +mp-867903,LiLuAu2,-3.979648835,-0.7352394883000001,0.0,-0.0028964625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Lu,4.0,A2BC_cF16_225_c_a_b:Au-Li-Lu +mp-1185371,LiLu2Au,-4.0026883725,-0.4465118958,0.0606093579,0.0606093579,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Lu,4.0,ABC2_cF16_225_a_b_c:Au-Li-Lu +mp-984551,AcTlHg2,-2.1671401575,-0.3943454365,0.0,-0.1059750513,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Hg-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Hg-Tl +mp-973767,PmBi3,-4.5274098375000005,-0.4594074094,0.0,-0.4594074094,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Pm,4.0,A3B_tI8_139_ad_b:Bi-Pm +mp-1186548,PmBi3,-4.5172050637,-0.4492026356,0.0102047737,-0.4492026356,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Pm,8.0,A3B_hP8_194_h_c:Bi-Pm +mp-973757,PmBiRh2,-6.3100432675,-0.4801314694,0.0,-0.0819852117,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Bi-Pm-Rh +mp-1093626,Cd2PtAu,-1.608590175,1.189108535,1.4297459062,1.4297459062,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cd-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Cd-Pt +mp-1188546,Th2Co7,-7.3401684194,-0.1639527456,0.0236217606,0.0236217606,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Th,18.0,A7B2_hR54_166_a2cdh_2c:Co-Th +mp-680606,Th2Co7,-7.3264546736,-0.1502389997,0.0373355064,0.0373355064,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Co-Th,36.0,"Invalid WP multiplicities - A7B2_hP36_194_2a4e3f5h5k_5f:Co-Th, expected Th10Co61 to be Th2Co7" +mp-1184006,GaCo3,-6.167719925,-0.0794575731,0.0615438025,0.0615438025,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-Ga,4.0,A3B_tI8_139_ad_b:Co-Ga +mp-1184009,GaCo3,-6.1775716863,-0.0893093344,0.0516920412,0.0516920412,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Ga,8.0,A3B_hP8_194_h_c:Co-Ga +mp-22767,ThGa4Co,-4.9351325642,-0.4960392083,0.0,-0.0402586367,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Co-Ga-Th,12.0,AB4C_oC24_63_c_acf_c:Co-Ga-Th +mp-809,ThCo5,-7.3027640833,-0.1435228792,0.0101513577,0.0101513577,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Th,6.0,A5B_hP6_191_cg_a:Co-Th +mp-1072579,ThCo5,-4.7848986783,2.3743425258,2.5280167627,2.5280167627,GGA,P6/mmm,A5B_hP6_191_cf_a:Co-Th,6.0,A5B_hP6_191_cf_a:Co-Th +mp-1062984,ThCo2,-7.0809930133,0.1291716,0.3845466447,0.3845466447,GGA,I4/mmm,A2B_tI6_139_d_a:Co-Th,3.0,A2B_tI6_139_d_a:Co-Th +mp-1102437,ThCo3,-7.3627127933,-0.1780098846,0.0265147562,0.0265147562,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Th,12.0,A3B_hR36_166_ach_bc:Co-Th +mp-16932,Th2Co17,-7.2566854663,-0.1162055182,0.0,-0.0255594892,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Th,19.0,"Invalid WP multiplicities - A17B2_hR57_166_cdf2h_c:Co-Th, expected Th2Co23 to be Th2Co17" +mp-30564,ThCo,-7.618163875,-0.3570758525,0.0,-0.1381562485,GGA,Cmcm,AB_oC8_63_c_c:Co-Th,4.0,AB_oC8_63_c_c:Co-Th +mp-1224812,GaCo4,-6.248942518,0.0433309225,0.156132023,0.156132023,GGA,R-3m,A4B_hR15_166_2c_a:Co-Ga,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-Ga, expected GaCo6 to be GaCo4" +mp-20559,Ga3Co,-4.31653982,-0.2683883544,0.0,-0.1273869788,GGA,P4_2/mnm,AB3_tP16_136_f_cj:Co-Ga,16.0,AB3_tP16_136_f_cj:Co-Ga +mp-30565,Th7Co3,-7.573843493,-0.2516473795,0.0,-0.037401868,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Co-Th,20.0,A3B7_hP20_186_c_b2c:Co-Th +mp-1121,GaCo,-5.35020966,-0.2820027513,0.0,-0.1030771817,GGA,Pm-3m,AB_cP2_221_a_b:Co-Ga,2.0,AB_cP2_221_a_b:Co-Ga +mp-23247,ZrBr3,-5.16376487,-1.862068465,0.0,-0.0826236786,GGA,P6_3/mcm,A3B_hP8_193_g_b:Br-Zr,8.0,A3B_hP8_193_g_b:Br-Zr +mp-1207486,ZrBr4,-4.8108047955,-1.8588420055,0.0,-0.3691872335,GGA,Pa-3,A4B_cP40_205_cd_c:Br-Zr,40.0,A4B_cP40_205_cd_c:Br-Zr +mp-1188037,Zr3Br,-6.7430497637,0.0559827912,0.7124453088,0.7124453088,GGA,P6_3/mmc,AB3_hP8_194_c_h:Br-Zr,8.0,AB3_hP8_194_c_h:Br-Zr +mp-531975,Zr3(Bi5Br9)2,-4.134424821,-1.1666021394,0.0547724465,0.0547724465,GGA,P6_3,A10B18C3_hP62_173_a3c_6c_c:Bi-Br-Zr,62.0,"Invalid WP multiplicities - A10B18C3_hP62_173_a15c_34c_c:Bi-Br-Zr, expected Zr3(Bi23Br51)2 to be Zr3(Bi5Br9)2" +mp-1065846,ZrBr,-6.3632647375,-1.3129002575,2.47775e-05,-0.0715212808,GGA,C2/m,AB_mC8_12_i_i:Br-Zr,4.0,AB_mC8_12_i_i:Br-Zr +mp-1066783,ZrBr,-6.297226705,-1.246862225,0.06606281,-0.0054832483,GGA,P-3m1,AB_hP4_164_d_d:Br-Zr,4.0,AB_hP4_164_d_d:Br-Zr +mp-504594,ZrBr,-6.363289515,-1.312925035,0.0,-0.0715460583,GGA,R-3m,AB_hR12_166_c_c:Br-Zr,4.0,AB_hR12_166_c_c:Br-Zr +mp-30933,ZrBi,-6.5927431208,-0.3986482408,0.0,-0.0715590762,GGA,Cmcm,AB_oC24_63_cf_cf:Bi-Zr,12.0,AB_oC24_63_cf_cf:Bi-Zr +mp-28495,ZrBr2,-5.5317018511,-1.6471160878000002,0.0319045672,0.0319045672,GGA,R-3,A2B_hR54_148_2f_f:Br-Zr,18.0,A2B_hR54_148_2f_f:Br-Zr +mp-1207416,Zr3Bi,-7.6283286494,-0.2574308944,0.0,-0.0446226098,GGA,I-4,AB3_tI32_82_g_3g:Bi-Zr,16.0,AB3_tI32_82_g_3g:Bi-Zr +mp-1188051,Zr3Bi,-7.5698913538,-0.1989935988,0.0584372956,0.0138146858,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Zr,8.0,AB3_hP8_194_c_h:Bi-Zr +mp-1207419,Zr3Bi5,-5.9332898516,-0.3275964091,0.0036636887,0.0036636887,GGA,P-4n2,A5B3_tP32_118_f2i_aceh:Bi-Zr,32.0,A5B3_tP32_118_f2i_aceh:Bi-Zr +mp-1207392,Zr5Bi3,-7.1017087444,-0.3192124269,0.0088271407,0.0088271407,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Zr,16.0,A3B5_hP16_193_g_dg:Bi-Zr +mp-29642,ZrBi2,-5.717504675,-0.307945045,0.0,-0.0151780778,GGA,Pnnm,A2B_oP24_58_4g_2g:Bi-Zr,24.0,A2B_oP24_58_4g_2g:Bi-Zr +mp-1207561,Zr8Bi13,-5.9683033782,-0.3345908196,0.0,-0.0007305758,GGA,P-4c2,A13B8_tP84_116_e6j_acg2h4i:Bi-Zr,84.0,A13B8_tP84_116_e6j_acg2h4i:Bi-Zr +mp-1206681,ScBiPd,-5.9559987567,-0.8383854083000001,0.0,-0.1486355764,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Sc,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Sc +mp-570632,ScBi,-5.768672535,-0.6821934175000001,0.0,-0.188325882,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Sc,2.0,AB_cF8_225_a_b:Bi-Sc +mp-607138,Sc5Bi3,-6.0153110337,-0.6173344194,0.0,-0.1056893562,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Sc,32.0,"Invalid WP multiplicities - A3B5_oP32_62_3c3d_12c5d:Bi-Sc, expected Sc22Bi9 to be Sc5Bi3" +mp-1186964,Sc3Bi,-6.0477483025,-0.3382741912,0.0732820883,0.0732820883,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Sc,8.0,AB3_hP8_194_c_h:Bi-Sc +mp-973175,ScBi3,-4.6574411575,-0.1939570338,0.147139675,0.147139675,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Sc,4.0,A3B_tI8_139_ad_b:Bi-Sc +mp-973126,ScBiPd2,-5.8200273275,-0.6868468638,0.0751410962,0.0751410962,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Sc +mp-7943,LiAs,-3.7703227281,-0.4863020923,0.0,-0.0083244223,GGA,P2_1/c,AB_mP16_14_2e_2e:As-Li,16.0,AB_mP16_14_2e_2e:As-Li +mp-8406,Li3NdAs2,-4.2961751683,-0.9939830279,0.0,-0.0183123258,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:As-Li-Nd,6.0,A2B3C_hP6_164_d_ad_b:As-Li-Nd +mp-680395,Li3As7,-4.1249167114,-0.2908569679,0.0009242874,0.0009242874,GGA,Pbca,A7B3_oP160_61_14c_6c:As-Li,160.0,"Invalid WP multiplicities - A7B3_oP160_61_104c_43c:As-Li, expected Li43As104 to be Li3As7" +mp-1191653,Li3As,-3.2648952146,-0.6684234633,0.0434550842,-0.0504270023,GGA,P-3c1,AB3_hP24_165_f_bdg:As-Li,24.0,AB3_hP24_165_f_bdg:As-Li +mp-757,Li3As,-3.3083502988,-0.7118785475,0.0,-0.0938820865,GGA,P6_3/mmc,AB3_hP8_194_c_bf:As-Li,8.0,AB3_hP8_194_c_bf:As-Li +mp-976264,Li3Nd,-2.426881315,0.1968476931,0.1968476931,0.1968476931,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Nd,4.0,A3B_cF16_225_ac_b:Li-Nd +mp-1206724,LiAs3,-3.92260909,0.0489604304,0.2921114766,0.2921114766,GGA,P6_3/mmc,A3B_hP8_194_bf_c:As-Li,8.0,A3B_hP8_194_bf_c:As-Li +mp-7779,Li2NdAs2,-4.462304938,-0.8814589428,0.114161481,0.114161481,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Li-Nd,5.0,A2B2C_hP5_164_d_d_a:As-Li-Nd +mp-676620,Li27As10,-3.3203232403,-0.6681042822000001,0.0254842825,0.0254842825,GGA,C2/m,A10B27_mC74_12_i2j_ag2h2i4j:As-Li,37.0,"Invalid WP multiplicities - A10B27_mC74_12_2i6j_a2g4h4i15j:As-Li, expected Li81As28 to be Li27As10" +mp-1093790,Ga2TcPd,-3.5018503075,1.8973278925,2.2752015481,2.2752015481,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Pd-Tc,4.0,A2BC_oI8_71_e_a_b:Ga-Pd-Tc +mp-867841,GaTc,-6.787486205,-0.0931187213,0.0,-0.0549086317,GGA,P-6m2,AB_hP2_187_a_d:Ga-Tc,2.0,AB_hP2_187_a_d:Ga-Tc +mp-1183998,Ga3Tc,-4.9185468875,-0.0573151344,0.0,-0.0107557737,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Tc,4.0,A3B_tI8_139_ad_b:Ga-Tc +mp-1217424,Tc3Pd,-9.004282255,0.0611674063,0.1393523075,0.0611674063,GGA,R-3m,AB3_hR12_166_a_bc:Pd-Tc,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Pd-Tc, expected Tc5Pd to be Tc3Pd" +mp-1217414,Tc3Pd,-9.0508721825,0.0145774788,0.09276238,0.0145774788,GGA,P-6m2,AB3_hP4_187_a_bh:Pd-Tc,4.0,AB3_hP4_187_a_bh:Pd-Tc +mp-861610,Tc3Pd,-9.1436345625,-0.0781849013,0.0,-0.0781849013,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pd-Tc,8.0,AB3_hP8_194_c_h:Pd-Tc +mp-1226441,Co2SbAs,-5.9766614925,-0.2254726837,0.0534650999999999,0.0534650999999999,GGA,P-6m2,AB2C_hP4_187_a_i_d:As-Co-Sb,4.0,AB2C_hP4_187_a_i_d:As-Co-Sb +mp-1219457,SbAs,-4.40902323,-0.0149634075,0.0,-0.0149634075,GGA,R3m,AB_hR6_160_a_a:As-Sb,2.0,AB_hR6_160_a_a:As-Sb +mp-581942,CeCu6,-4.4728270596,-0.1116371775,0.0,-0.0234103596,GGA,P2_1/c,AB6_mP28_14_e_6e:Ce-Cu,28.0,"Invalid WP multiplicities - AB6_mP28_14_e_19e:Ce-Cu, expected CeCu19 to be CeCu6" +mp-21708,CeCu6,-4.4726795214,-0.1114896393,0.0001475382,-0.0232628214,GGA,Pnma,AB6_oP28_62_c_4cd:Ce-Cu,28.0,AB6_oP28_62_c_4cd:Ce-Cu +mp-672238,CeCuSb2,-5.322746125,-0.7501715488,0.0,-0.033003346,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ce-Cu-Sb,8.0,ABC2_tP8_129_c_a_bc:Ce-Cu-Sb +mp-1006321,Ce(CuSb)2,-4.949244056,-0.471343061,0.128794178,0.128794178,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Cu-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Cu-Sb +mp-1189165,Ce3Cu3Sb4,-5.443960172,-0.7826709285,0.0,-0.020850474,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Ce-Cu-Sb,20.0,A3B3C4_cI40_220_a_b_c:Ce-Cu-Sb +mp-761,CeCu5,-4.5077850383,-0.1029312875,0.0166165789,0.0166165789,GGA,P6/mmm,AB5_hP6_191_a_cg:Ce-Cu,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Ce-Cu, expected CeCu8 to be CeCu5" +mp-1227972,Ce4Cu5Sb8,-5.2290124994,-0.6842830941,0.0217607165,0.0217607165,GGA,P4mm,A4B5C8_tP17_99_2a2b_a2c_2a2b2c:Ce-Cu-Sb,17.0,"Invalid WP multiplicities - A4B5C8_tP17_99_2a2b_a4c_2a2b4c:Ce-Cu-Sb, expected Ce4(Cu3Sb4)3 to be Ce4Cu5Sb8" +mp-1183872,Ce3Cu,-5.3740001475,0.1006183862,0.1662143944,0.1662143944,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Cu,4.0,A3B_tI8_139_ad_b:Ce-Cu +mp-1006330,Ce3Cu,-5.3275555775,0.1470629563,0.2126589644,0.2126589644,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Cu,4.0,A3B_cP4_221_c_a:Ce-Cu +mp-1227069,Ce2Cu3Sb4,-5.1048940244,-0.5849158822,0.0819032722,0.0819032722,GGA,P4mm,A2B3C4_tP9_99_ab_ac_abc:Ce-Cu-Sb,9.0,A2B3C4_tP9_99_ab_ac_abc:Ce-Cu-Sb +mp-636198,CeCu,-5.0472909837,-0.0311430712,0.100048945,0.100048945,GGA,Pnma,AB_oP8_62_c_c:Ce-Cu,8.0,AB_oP8_62_c_c:Ce-Cu +mp-2801,CeCu2,-4.88542352,-0.1749226883,0.0,-0.0880937725,GGA,Imma,AB2_oI12_74_e_h:Ce-Cu,6.0,AB2_oI12_74_e_h:Ce-Cu +mp-30704,Nb5Ga3,-7.5363098681,-0.0874582097,0.2530591097,0.2530591097,GGA,I4/mcm,A3B5_tI32_140_ch_bk:Ga-Nb,16.0,A3B5_tI32_140_ch_bk:Ga-Nb +mp-570293,Nb5Ga3,-7.7809386962,-0.3320870378,0.0084302816,0.0084302816,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ga-Nb,16.0,A3B5_tI32_140_ah_bk:Ga-Nb +mp-1105552,Nb5Ga3,-7.6933707631,-0.2445191047,0.0959982147,0.0959982147,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Nb,16.0,A3B5_hP16_193_g_dg:Ga-Nb +mp-2670,Nb3Ga,-8.5049835413,-0.1719807556,0.0550307906,0.0550307906,GGA,Pm-3n,AB3_cP8_223_a_c:Ga-Nb,8.0,AB3_cP8_223_a_c:Ga-Nb +mp-1973,NbGa3,-5.104863745,-0.3084654681,0.0,-0.0903498932,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Nb,4.0,A3B_tI8_139_ad_b:Ga-Nb +mp-11393,Nb3Ga2,-7.635239907,-0.363218474,0.0,-0.0254029604,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ga-Nb,10.0,A2B3_tP10_127_g_ah:Ga-Nb +mp-1220393,NbCrGa,-7.7541134825,-0.1599639717,0.0717525337,0.0717525337,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Ga-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Ga-Nb, expected Nb3(CrGa)2 to be NbCrGa" +mp-1195396,Nb4Ga5,-6.5074584172000005,-0.3357139425,0.0031698622,0.0031698622,GGA,P4_2/mnm,A5B4_tP144_136_h2i5jk_dfi2j2k:Ga-Nb,144.0,A5B4_tP144_136_h2i5jk_dfi2j2k:Ga-Nb +mp-18032,Nb5Ga4,-7.3056560583,-0.3479994706,0.0082662408,0.0082662408,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Ga-Nb,18.0,A4B5_hP18_193_bg_dg:Ga-Nb +mp-1072,Nb5Ga13,-5.2352269439,-0.2423506387,0.070460306,0.070460306,GGA,Cmmm,A13B5_oC36_65_a3g3h_cgh:Ga-Nb,18.0,"Invalid WP multiplicities - A13B5_oC36_65_a4g3h_cgh:Ga-Nb, expected NbGa3 to be Nb5Ga13" +mp-863684,Pm2GeAu,-5.081465555,-0.73196693,0.0,-0.2736429448,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ge-Pm,4.0,ABC2_cF16_225_a_b_c:Au-Ge-Pm +mp-862909,PmGeAu2,-4.53978043,-0.5594468856,0.0161694079,0.0161694079,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ge-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Ge-Pm +mp-1186739,PrAgAu2,-4.101444335,-0.5611378954,0.0098720521,0.0098720521,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Pr,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Pr +mp-1210301,Pr2(Ga3Ru)3,-5.1482821946,-0.531290528,0.0,-0.012594642,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Pr-Ru,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Pr-Ru +mp-672696,Hf2Nb3Ge4,-8.2661679686,-0.6316785686,0.0,-0.0478090177,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Hf-Nb,36.0,A4B2C3_oP36_62_2cd_d_cd:Ge-Hf-Nb +mp-21659,Hf3(NbGe2)2,-8.2705559031,-0.6520793931000001,0.01666513,0.01666513,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Hf-Nb,36.0,"Invalid WP multiplicities - A4B3C2_oP36_62_7c5d_2c3d_d:Ge-Hf-Nb, expected Hf8Nb2Ge17 to be Hf3(NbGe2)2" +mp-571038,Hf4NbGe4,-8.3082740975,-0.7058104775,0.0,-0.0251455994,GGA,Pnma,A4B4C_oP36_62_2cd_2d_c:Ge-Hf-Nb,36.0,"Invalid WP multiplicities - A4B4C_oP36_62_8c5d_7d_c:Ge-Hf-Nb, expected Hf14NbGe18 to be Hf4NbGe4" +mp-1224307,HfNb,-9.91540043,0.113846605,0.113846605,0.113846605,GGA,Cmmm,AB_oC4_65_a_c:Hf-Nb,2.0,AB_oC4_65_a_c:Hf-Nb +mp-631635,TaCoSn2,-6.155558995,0.5907507888,0.7156459699000001,0.7156459699000001,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Sn-Ta,4.0,AB2C_cF16_216_a_bc_d:Co-Sn-Ta +mp-1187261,TaSn3,-5.5110828488,0.46054045,0.4785383269,0.4785383269,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-Ta,8.0,A3B_hP8_194_h_c:Sn-Ta +mp-30871,Ta3Sn,-9.9281193113,-0.032393125,0.0,-0.0233941866,GGA,Pm-3n,AB3_cP8_223_a_c:Sn-Ta,8.0,AB3_cP8_223_a_c:Sn-Ta +mp-1218088,Ta2Sn3,-6.730233021,0.418621144,0.4439616661,0.4439616661,GGA,F222,A3B2_oF40_22_efi_fi:Sn-Ta,10.0,A3B2_oF40_22_efi_fi:Sn-Ta +mp-567982,TaSn2,-6.6496376158,-0.0239971692,0.0,-0.0096002247,GGA,Fddd,A2B_oF48_70_ef_e:Sn-Ta,12.0,"Invalid WP multiplicities - A2B_oF48_70_3e3f_e:Sn-Ta, expected TaSn6 to be TaSn2" +mp-1184866,HoMg5,-2.1006034983,-0.0033019783,0.0483356192,0.0483356192,GGA,C2/m,AB5_mC12_12_a_c2i:Ho-Mg,6.0,"Invalid WP multiplicities - AB5_mC12_12_a_d4i:Ho-Mg, expected HoMg9 to be HoMg5" +mp-1184787,HoErMg2,-3.1554594825,-0.0677875375,0.0025014925,0.0025014925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Mg,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Mg +mp-1184701,Ho5Mg,-4.051548545,0.033838855,0.05838169,0.05838169,GGA,Amm2,A5B_oC12_38_2a3b_a:Ho-Mg,6.0,A5B_oC12_38_2a3b_a:Ho-Mg +mp-1184696,Ho5Mg,-4.0685196317,0.0168677683,0.0414106033,0.0414106033,GGA,R32,A5B_hR18_155_cd_b:Ho-Mg,6.0,A5B_hR18_155_cd_b:Ho-Mg +mp-1199,HoMg,-3.164972965,-0.073628505,0.0,-0.020387004,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Mg,2.0,AB_cP2_221_a_b:Ho-Mg +mp-1185534,HoMg149,-1.64586582,-0.0257049112,0.0,-0.0239677324,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Ho-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:Ho-Mg, expected HoMg315 to be HoMg149" +mp-1224013,Ho3Mg,-3.852162165,-0.0152854999999999,0.0215287525,0.0215287525,GGA,P4/mmm,A3B_tP4_123_ah_b:Ho-Mg,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Ho-Mg, expected Ho5Mg to be Ho3Mg" +mp-974322,Ho3Mg,-3.8277389375,0.0091377275,0.04595198,0.04595198,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Mg,8.0,A3B_hP8_194_h_c:Ho-Mg +mp-1184881,HoMg2,-2.6524485667,-0.0581255767,0.0098467283,0.0098467283,GGA,P6/mmm,AB2_hP3_191_a_d:Ho-Mg,3.0,AB2_hP3_191_a_d:Ho-Mg +mp-13499,HoMg2,-2.6520425567,-0.0577195667,0.0102527383,0.0102527383,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ho-Mg,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Ho-Mg, expected Ho2Mg7 to be HoMg2" +mp-1184860,HoMg2,-2.65314826,-0.05882527,0.009147035,0.009147035,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Mg,6.0,AB2_cF24_227_a_d:Ho-Mg +mp-1184888,HoMg3,-2.399219295,-0.05340704,0.011737165,-0.0030308411,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Mg,8.0,AB3_hP8_194_c_h:Ho-Mg +mp-866172,HoMg3,-2.41095646,-0.065144205,0.0,-0.0147680061,GGA,Fm-3m,AB3_cF16_225_a_bc:Ho-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Ho-Mg, expected HoMg5 to be HoMg3" +mp-1192487,Ho5Mg24,-2.1502475231,-0.0358073317,0.016761756,0.016761756,GGA,I-43m,A5B24_cI58_217_ac_2g:Ho-Mg,29.0,A5B24_cI58_217_ac_2g:Ho-Mg +mp-863701,Ho2Mg,-3.633672295,-0.045306365,0.003779305,0.003779305,GGA,Cmcm,A2B_oC12_63_2c_c:Ho-Mg,6.0,"Invalid WP multiplicities - A2B_oC12_63_4c_c:Ho-Mg, expected Ho4Mg to be Ho2Mg" +mp-1183090,Ac3Cd,-3.3435118625,-0.0219081669,0.0683301642,0.0683301642,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Cd,4.0,A3B_tI8_139_ad_b:Ac-Cd +mp-1183100,Ac3Cd,-3.34658676,-0.0249830644,0.0652552667,0.0652552667,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Cd,8.0,A3B_hP8_194_h_c:Ac-Cd +mp-867890,AcCd3,-1.993176065,-0.2707149931,0.0,-0.262387305,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Cd,8.0,AB3_hP8_194_c_h:Ac-Cd +mp-1183174,AcZn2Cd,-2.133637545,-0.2427495481,0.0146720283,0.0146720283,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Cd-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-Cd-Zn +mp-4337,Dy(GeRh)2,-6.597093572,-0.8808019140000001,0.0,-0.0181635307,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Rh +mp-1181515,Dy4Ge6Rh7,-6.6900475612,-0.9420787624,0.0,-0.0559161615,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Dy-Ge-Rh,17.0,A4B6C7_cI34_229_c_e_ad:Dy-Ge-Rh +mp-1204450,Dy3Ge13Rh4,-5.7106284483,-0.5417807425,0.0149881528,0.0149881528,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Rh,40.0,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Rh +mp-21159,DyGe3,-5.0759149275,-0.4569473262,0.0165089612,0.0165089612,GGA,Cmcm,AB3_oC16_63_c_3c:Dy-Ge,8.0,AB3_oC16_63_c_3c:Dy-Ge +mp-1225438,Dy2Ge3,-5.10250746,-0.485976011,0.25734768,0.25734768,GGA,P-6m2,A2B3_hP5_187_i_abc:Dy-Ge,5.0,A2B3_hP5_187_i_abc:Dy-Ge +mp-9529,DyGeRh,-6.5103951567,-0.9790209683,0.0,-0.0485816911,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Rh,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Rh +mp-20122,DyGe,-5.48454617,-0.8696388225,0.0,-0.0393523073,GGA,Cmcm,AB_oC8_63_c_c:Dy-Ge,4.0,AB_oC8_63_c_c:Dy-Ge +mp-1202174,Dy5(Ge5Rh2)2,-6.0013347687,-0.8054692829000001,0.0,-0.0296187337,GGA,P4/mbm,A5B10C4_tP38_127_a2h_gij_i:Dy-Ge-Rh,38.0,A5B10C4_tP38_127_a2h_gij_i:Dy-Ge-Rh +mp-866028,Dy2Ge5Rh3,-6.2252102685,-0.783046612,0.0,-0.0141802226,GGA,C2/c,A2B5C3_mC40_15_f_3ef_ef:Dy-Ge-Rh,20.0,A2B5C3_mC40_15_f_3ef_ef:Dy-Ge-Rh +mp-1105737,Dy5Ge3,-5.4070624431,-0.7941852225,0.0,-0.1274486284,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Ge,16.0,A5B3_hP16_193_dg_g:Dy-Ge +mp-612918,Dy3Ge4,-5.3957216657,-0.7796542457000001,0.001542885,-0.0011322182,GGA,Cm,A3B4_mC28_8_6a_8a:Dy-Ge,14.0,"Invalid WP multiplicities - A3B4_oC28_63_cf_2ac3f:Dy-Ge, expected DyGe3 to be Dy3Ge4" +mp-655448,Dy3Ge4,-5.3972645507,-0.7811971307000001,0.0,-0.0026751032,GGA,Cmcm,A3B4_oC28_63_cf_acf:Dy-Ge,14.0,"Invalid WP multiplicities - A3B4_oC28_63_cf_2ac3f:Dy-Ge, expected DyGe3 to be Dy3Ge4" +mp-505577,Dy3Ge5,-5.3264254063,-0.7094879319,0.0006964994,-0.007456536,GGA,Fdd2,A3B5_oF64_43_ab_a2b:Dy-Ge,16.0,A3B5_oF64_43_ab_a2b:Dy-Ge +mp-1181500,Dy3Ge5,-5.3271219056,-0.7101844313,0.0,-0.0081530354,GGA,P-62c,A3B5_hP16_190_g_bch:Dy-Ge,16.0,A3B5_hP16_190_g_bch:Dy-Ge +mp-1213601,Dy11Ge18,-5.3269681922,-0.7101007222,0.0057973745,0.0057973745,GGA,Fdd2,A11B18_oF232_43_a5b_9b:Dy-Ge,,A11B18_oF232_43_a5b_9b:Dy-Ge +mp-1213229,Dy3(GeRh)2,-6.3242816775,-0.9249913961,0.0,-0.0042510918,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Dy-Ge-Rh,28.0,A3B2C2_oP28_57_de_cd_e:Dy-Ge-Rh +mp-1213526,Dy11Ge10,-5.4611703,-0.8466496433,0.0086170649,0.0086170649,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Dy-Ge,42.0,A11B10_tI84_139_eh2n_dehim:Dy-Ge +mp-1077979,InPd5Se,-5.0344009257,-0.441971746,0.0,-0.0001097623,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:In-Pd-Se,7.0,AB5C_tP7_123_c_ai_b:In-Pd-Se +mp-1190972,In4Pd17Se4,-4.9913038808,-0.4693690168,0.0128937797,0.0128937797,GGA,I4/m,A4B17C4_tI50_87_h_a4h_h:In-Pd-Se,25.0,A4B17C4_tI50_87_h_a4h_h:In-Pd-Se +mp-1102524,In2Pd8Se,-5.0382305336,-0.4529274957,0.0,-0.0043117995,GGA,P4/mmm,A2B8C_tP11_123_h_egi_a:In-Pd-Se,11.0,A2B8C_tP11_123_h_egi_a:In-Pd-Se +mp-1103976,Ho(Al2Cr)4,-5.8399787669,-0.2123475831,0.0095537735,0.0095537735,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Ho,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Ho +mp-1199361,Ho6Al43Cr4,-4.554073743,-0.2679151809,0.0,-0.0118114815,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Ho,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Ho +mp-2758,SrSe,-4.8910214750000005,-2.2983190095,0.0,-2.2983190095,GGA,Fm-3m,AB_cF8_225_a_b:Se-Sr,2.0,AB_cF8_225_a_b:Se-Sr +mp-1187123,Sr3Nb,-3.0560052175,0.7364411325,0.7364411325,0.7364411325,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Sr,4.0,AB3_tI8_139_a_bd:Nb-Sr +mp-1187120,Sr3Nb,-3.05837837,0.7340679800000001,0.7340679800000001,0.7340679800000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Nb-Sr,4.0,AB3_cF16_225_a_bc:Nb-Sr +mp-1104955,SrNb5Se8,-6.932447235,-1.2064964868,0.0962843378,0.0962843378,GGA,C2/m,A5B8C_mC28_12_a2i_4i_d:Nb-Se-Sr,14.0,A5B8C_mC28_12_a2i_4i_c:Nb-Se-Sr +mp-1106231,SmZn3,-2.48201037,-0.3575561288,0.0,-0.004854065,GGA,Pnma,AB3_oP16_62_c_3c:Sm-Zn,16.0,AB3_oP16_62_c_3c:Sm-Zn +mp-1183782,Ce3Sm,-5.5324500975,0.0970133025,0.0970133025,0.0970133025,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Sm,4.0,A3B_tI8_139_ad_b:Ce-Sm +mp-1226765,Ce4Sm,-5.62107655,0.069112001,0.069112001,0.069112001,GGA,R-3m,A4B_hR15_166_2c_a:Ce-Sm,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ce-Sm, expected Ce6Sm to be Ce4Sm" +mp-1226552,CeSm,-5.2131894925,0.1126481525,0.1126481525,0.1126481525,GGA,P6_3/mmc,AB_hP4_194_c_a:Ce-Sm,4.0,AB_hP4_194_c_a:Ce-Sm +mp-1198409,Sm13Zn58,-2.2251779478,-0.3321251431,0.0,-0.0131003268,GGA,P6_3/mmc,A13B58_hP142_194_a2hk_bcfghij4kl:Sm-Zn,142.0,A13B58_hP142_194_a2hk_bcfghij4kl:Sm-Zn +mp-1103573,Sm3Zn11,-2.3400521079,-0.3391279568,0.0048522323,0.0048522323,GGA,Immm,A3B11_oI28_71_ag_bf2n:Sm-Zn,14.0,A3B11_oI28_71_ag_bf2n:Sm-Zn +mp-1184003,CeSm3,-4.9323021675,0.0899097225,0.0899097225,0.0899097225,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Sm,8.0,AB3_hP8_194_c_h:Ce-Sm +mp-1006246,CeSm3,-4.9442811075,0.0779307825,0.0779307825,0.0779307825,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Sm,4.0,AB3_cP4_221_a_c:Ce-Sm +mp-978828,Sm3Zn,-3.8826844675,-0.0288089637,0.1360504125,0.1360504125,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Zn,4.0,A3B_tI8_139_ad_b:Sm-Zn +mp-982044,Sm3Zn,-3.8960904912,-0.0422149875,0.1226443888,0.1226443888,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sm-Zn,8.0,A3B_hP8_194_h_c:Sm-Zn +mp-30712,Sm2Zn17,-1.8866119579,-0.2627796611,0.0,-0.0134755612,GGA,R-3m,A2B17_hR57_166_c_cdfh:Sm-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Sm-Zn, expected Sm2Zn23 to be Sm2Zn17" +mp-1198957,Sm2Zn17,-1.8822756687,-0.2584433718,0.0043362892,-0.009139272,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Sm-Zn,38.0,A2B17_hP38_194_bc_fgjk:Sm-Zn +mp-2165,SmZn,-3.318883625,-0.3297187525,0.0,-0.0459690287,GGA,Pm-3m,AB_cP2_221_a_b:Sm-Zn,2.0,AB_cP2_221_a_b:Sm-Zn +mp-30870,SmZn12,-1.7192518969,-0.1934434773,0.0,-0.0014121865,GGA,I4/mmm,AB12_tI26_139_a_fij:Sm-Zn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Sm-Zn, expected SmZn16 to be SmZn12" +mp-1183758,CeSmZn2,-3.541985655,-0.2491950275,0.0345546963,0.0345546963,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Sm-Zn +mp-567406,SmZn5,-2.1384870467,-0.3022696825,0.0158519399,0.0158519399,GGA,P6/mmm,AB5_hP6_191_a_cg:Sm-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_2c2g:Sm-Zn, expected SmZn10 to be SmZn5" +mp-1201457,Sm3Zn22,-1.9531563366,-0.2783516236,0.0,-0.0024425513,GGA,I4_1/amd,A3B22_tI100_141_ae_c3hi:Sm-Zn,50.0,A3B22_tI100_141_ae_c3hi:Sm-Zn +mp-962,SmZn2,-2.7910240833,-0.378332965,0.0,-0.0300559617,GGA,Imma,AB2_oI12_74_e_h:Sm-Zn,6.0,AB2_oI12_74_e_h:Sm-Zn +mp-30821,LiAl2Rh,-4.8989869725,-0.7078913733000001,0.0,-0.0631589605,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Al-Li-Rh +mp-862297,LiAlRh2,-5.7652994025,-0.6695207933,0.0,-0.030530425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Li-Rh +mp-30820,Li2AlRh,-4.2226997875,-0.4907674292,0.0537185183,0.0537185183,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Li-Rh,4.0,AB2C_cF16_216_a_bc_d:Al-Li-Rh +mp-1224444,Hf2Te3,-6.884716852,-1.015857704,0.009568867,0.009568867,GGA,R-3,A2B3_hR30_148_abc_f:Hf-Te,10.0,A2B3_hR30_148_abc_f:Hf-Te +mp-15669,Ti3Te4,-6.1407363557,-0.9607792667,0.0,-0.0032694088,GGA,C2/m,A4B3_mC14_12_2i_ai:Te-Ti,7.0,A4B3_mC14_12_2i_ai:Te-Ti +mp-1224556,Hf3TiTe20,-4.9679060471,-0.7748570065,0.0,-0.0396856821,GGA,Amm2,A3B20C_oC48_38_ac_ab9c_b:Hf-Te-Ti,24.0,"Invalid WP multiplicities - A3B20C_oC48_38_ac_ab17c_b:Hf-Te-Ti, expected Hf3TiTe36 to be Hf3TiTe20" +mp-567584,Hf2Te,-8.32215811,-0.6362634589,0.0020052517,0.0020052517,GGA,C2/m,A2B_mC24_12_4i_2i:Hf-Te,12.0,"Invalid WP multiplicities - A2B_mC24_12_7i_3i:Hf-Te, expected Hf7Te3 to be Hf2Te" +mp-1224258,HfTi,-8.871528945,0.0548115783,0.0548115783,0.0548115783,GGA,P-6m2,AB_hP2_187_a_d:Hf-Ti,2.0,AB_hP2_187_a_d:Hf-Ti +mp-28919,Hf3Te2,-7.997558228,-0.7659224527,0.0,-0.00625386,GGA,I4/mmm,A3B2_tI10_139_ae_e:Hf-Te,5.0,A3B2_tI10_139_ae_e:Hf-Te +mp-1168,HfTe5,-5.0961577983,-0.8172047156000001,0.0,-0.2008625156,GGA,Cmcm,AB5_oC24_63_c_c2f:Hf-Te,12.0,"Invalid WP multiplicities - AB5_oC24_63_c_c3f:Hf-Te, expected HfTe7 to be HfTe5" +mp-32887,HfTe2,-6.51866451,-1.1040642378,0.0,-0.1288040467,GGA,P-3m1,AB2_hP3_164_a_d:Hf-Te,3.0,AB2_hP3_164_a_d:Hf-Te +mp-567832,TiTe,-6.3375240875,-0.8181251325000001,0.0945219606,0.0945219606,GGA,P6_3/mmc,AB_hP4_194_c_a:Te-Ti,4.0,AB_hP4_194_c_a:Te-Ti +mp-599,TiTe,-6.0960271925,-0.5766282375,0.3360188556,0.3360188556,GGA,P6_3/mmc,AB_hP4_194_a_c:Te-Ti,4.0,AB_hP4_194_a_c:Te-Ti +mp-1217210,Ti2Te3,-6.0141326005,-0.9699522578,0.0060748525,0.001936697,GGA,P-1,A3B2_aP20_2_6i_4i:Te-Ti,20.0,"Invalid WP multiplicities - A3B2_aP20_2_12i_7i:Te-Ti, expected Ti7Te12 to be Ti2Te3" +mp-1217180,Ti2Te3,-6.020207453,-0.9760271103,0.0,-0.0041381555,GGA,R-3,A3B2_hR30_148_f_abc:Te-Ti,10.0,A3B2_hR30_148_f_abc:Te-Ti +mp-1184672,HfTi3,-8.3892546263,0.0216616437,0.0216616437,0.0216616437,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Ti,8.0,AB3_hP8_194_c_h:Hf-Ti +mp-12884,Hf5Te4,-7.7707352067,-0.8419386819,0.0,-0.019659265,GGA,I4/m,A5B4_tI18_87_ah_h:Hf-Te,9.0,A5B4_tI18_87_ah_h:Hf-Te +mp-1025459,HfTe3,-5.7712899775,-0.9245133,0.0361211767,0.0361211767,GGA,P2_1/m,AB3_mP8_11_e_3e:Hf-Te,8.0,AB3_mP8_11_e_3e:Hf-Te +mp-1907,TiTe2,-5.7055102367,-0.9781423022,0.0,-0.1306540202,GGA,P-3m1,A2B_hP3_164_d_a:Te-Ti,3.0,A2B_hP3_164_d_a:Te-Ti +mp-7498,Ti5Te4,-6.6586202533000005,-0.8752109581,0.0,-0.1279381952,GGA,I4/m,A4B5_tI18_87_h_ah:Te-Ti,9.0,A4B5_tI18_87_h_ah:Te-Ti +mp-1187477,Ti3Te,-7.072275455,-0.3648299692,0.1274761948,0.1274761948,GGA,P6_3/mmc,AB3_hP8_194_c_h:Te-Ti,8.0,AB3_hP8_194_c_h:Te-Ti +mp-1208221,Ti5Te8,-5.9489408815,-0.9778710946,0.0,-0.0013558631,GGA,C2/m,A8B5_mC26_12_2ij_ahi:Te-Ti,13.0,A8B5_mC26_12_2ij_ahi:Te-Ti +mp-972318,TiSn3,-4.8788549462,0.1021969492,0.2946770988,0.2946770988,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-Ti,8.0,A3B_hP8_194_h_c:Sn-Ti +mp-637255,Ti2Sn3,-5.871908159,-0.3079682393,0.0,-0.034862335,GGA,Cmce,A3B2_oC40_64_e2f_ef:Sn-Ti,20.0,"Invalid WP multiplicities - A3B2_oC40_64_3e6f_2e3f:Sn-Ti, expected Ti5Sn9 to be Ti2Sn3" +mp-1095893,TiTc2Sn,-4.99355416,3.1630312804,3.41131458,3.41131458,GGA,Immm,AB2C_oI8_71_a_e_b:Sn-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Sn-Tc-Ti +mp-1187492,TiTc2Sn,-8.393015115,-0.2364296746,0.011853625,0.011853625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sn-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Sn-Tc-Ti +mp-20847,Ti5Sn3,-6.7863672169,-0.3480952608,0.0,-0.0014555902,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Ti,16.0,A3B5_hP16_193_g_dg:Sn-Ti +mp-30875,Ti2Sn,-6.9333224817,-0.3331371856,0.0,-0.0011909129,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Sn-Ti,6.0,AB2_hP6_194_c_ad:Sn-Ti +mp-1008688,Ti2Sn,-6.3319477067,0.2682375894,0.601374775,0.6001838621000001,GGA,F-43m,AB2_cF12_216_a_bc:Sn-Ti,3.0,AB2_cF12_216_a_bc:Sn-Ti +mp-568232,Ti6Sn5,-6.4800946977,-0.3509300273,0.021487115,-0.0170210872,GGA,Immm,A5B6_oI44_71_efgm_ehkm:Sn-Ti,22.0,"Invalid WP multiplicities - A5B6_oI44_71_2e2f2g3m_2e2h2k2m:Sn-Ti, expected TiSn to be Ti6Sn5" +mp-20382,Ti6Sn5,-6.5015818127,-0.3724171423,0.0,-0.0385082022,GGA,P6_3/mmc,A5B6_hP22_194_ach_gh:Sn-Ti,22.0,A5B6_hP22_194_ach_gh:Sn-Ti +mp-1079460,Ti3Sn,-7.2236602725,-0.2996482962,0.0,-0.0497954071,GGA,Cmcm,AB3_oC16_63_c_cg:Sn-Ti,8.0,AB3_oC16_63_c_cg:Sn-Ti +mp-21030,Ti3Sn,-7.2210405612,-0.297028585,0.0026197113,-0.0471756958,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Ti,8.0,AB3_hP8_194_c_h:Sn-Ti +mp-570691,Ti3Sn,-7.185525445,-0.2615134687,0.0381348275,-0.0116605796,GGA,Pm-3m,AB3_cP4_221_a_c:Sn-Ti,4.0,AB3_cP4_221_a_c:Sn-Ti +mp-998982,Ti3Sn,-7.118152985,-0.1941410087,0.1055072875,0.0557118804,GGA,Fm-3m,AB3_cF16_225_a_bc:Sn-Ti,4.0,AB3_cF16_225_a_bc:Sn-Ti +mp-978525,Si3Mo,-6.4808183975,0.2995826525,0.6733048675000001,0.6733048675000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mo-Si,8.0,AB3_hP8_194_c_h:Mo-Si +mp-1194888,Lu2Si4Mo3,-7.7008176572,-0.669692825,0.0,-0.1163994567,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Lu-Mo-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Lu-Mo-Si +mp-1087230,Si2Mo3,-8.917387688,-0.23987041,0.1447411009,0.1447411009,GGA,P4/mbm,A3B2_tP10_127_ah_g:Mo-Si,10.0,A3B2_tP10_127_ah_g:Mo-Si +mp-973668,LuSi3,-5.3354452975,-0.136219145,0.2458536999999999,0.2458536999999999,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Si,4.0,AB3_cP4_221_a_c:Lu-Si +mp-1103,LuSi2,-5.5052455167000005,-0.3813833233,0.1280471367,0.1280471367,GGA,P6/mmm,AB2_hP3_191_a_d:Lu-Si,3.0,AB2_hP3_191_a_d:Lu-Si +mp-972845,SiMo,-8.39956413,-0.26408006,0.1631632418,0.1631632418,GGA,P-6m2,AB_hP2_187_a_d:Mo-Si,2.0,AB_hP2_187_a_d:Mo-Si +mp-11908,Lu5Si3,-5.5392360962,-0.67914776,0.0,-0.1060384925,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Lu-Si,16.0,A5B3_hP16_193_dg_g:Lu-Si +mp-976355,Lu3Si,-4.9575777525,-0.210535355,0.2422298183,0.2422298183,GGA,I4/mmm,A3B_tI8_139_ad_b:Lu-Si,4.0,A3B_tI8_139_ad_b:Lu-Si +mp-1185426,Lu3Si,-4.97131007,-0.2242676725,0.2284975008,0.2284975008,GGA,Pm-3m,A3B_cP4_221_c_a:Lu-Si,4.0,A3B_cP4_221_c_a:Lu-Si +mp-1001612,LuSi,-5.737279965,-0.76414569,0.0,-0.21261126,GGA,Cmcm,AB_oC8_63_c_c:Lu-Si,4.0,AB_oC8_63_c_c:Lu-Si +mp-1332,Si3Mo5,-9.1869791431,-0.3739535631,0.0,-0.0043097657,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Mo-Si,16.0,A5B3_tI32_140_bk_ah:Mo-Si +mp-1188373,Si3Mo5,-9.0924789106,-0.2794533306,0.0945002325,0.0901904668,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Mo-Si,16.0,A5B3_hP16_193_dg_g:Mo-Si +mp-1275,SiMo3,-9.8050741063,-0.3145070163,0.0,-0.0652046408,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Si,8.0,A3B_cP8_223_c_a:Mo-Si +mp-2592,Si2Mo,-7.7303916767,-0.4982962867,0.0,-0.2988543863,GGA,I4/mmm,AB2_tI6_139_a_e:Mo-Si,3.0,AB2_tI6_139_a_e:Mo-Si +mp-8938,Si2Mo,-7.7016778689,-0.4695824789,0.0287138078,-0.2701405786,GGA,P6_222,AB2_hP9_180_c_i:Mo-Si,9.0,AB2_hP9_180_c_i:Mo-Si +mp-1216871,Tm2SiPd2,-5.7523950710000005,-0.8050445717,0.1289990965,0.1289990965,GGA,Pnnm,A2BC2_oP20_58_2g_g_2g:Pd-Si-Tm,20.0,A2BC2_oP20_58_2g_g_2g:Pd-Si-Tm +mp-980646,TmSi3,-5.33525416,-0.1473067817,0.2437363788,0.2437363788,GGA,Pm-3m,A3B_cP4_221_c_a:Si-Tm,4.0,A3B_cP4_221_c_a:Si-Tm +mp-571485,Tm(SiPd)2,-6.030125564,-0.8928785433,0.0,-0.0800534732,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Tm +mp-1208008,Tm2Si3Pd,-5.9302641808,-0.8623463897,0.0,-0.0992705029,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Pd-Si-Tm,24.0,AB3C2_hP24_194_f_k_bh:Pd-Si-Tm +mp-1066975,TmSi,-5.7326630475,-0.7820863208000001,0.0,-0.2142693404,GGA,Cmcm,AB_oC8_63_c_c:Si-Tm,4.0,AB_oC8_63_c_c:Si-Tm +mp-1188299,TmSiPd2,-6.05983562,-0.9946063517,0.0,-0.0794394298,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Si-Tm,16.0,A2BC_oP16_62_d_c_c:Pd-Si-Tm +mp-1189863,Tm5Si3,-5.5084967575,-0.6766053567,0.0,-0.090040616,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Tm,16.0,A3B5_hP16_193_g_dg:Si-Tm +mp-979933,Tm3Si,-4.93367355,-0.220467475,0.2306027628,0.2306027628,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Tm,8.0,AB3_hP8_194_c_h:Si-Tm +mp-1208056,Tm3(Si3Pd10)2,-5.9925864993,-0.8347571666,0.0,-0.0577089372,GGA,Fm-3m,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Tm,29.0,A20B6C3_cF116_225_fh_e_ac:Pd-Si-Tm +mp-772,TmSi2,-5.53158964,-0.4227658122,0.0986250683,0.0986250683,GGA,P6/mmm,A2B_hP3_191_c_b:Si-Tm,3.0,A2B_hP3_191_c_b:Si-Tm +mp-1219424,Sm6Si3Ni2,-5.6131839232,-0.5088435359,0.3225440405,0.3225440405,GGA,Pm,A2B3C6_mP22_6_2ac_2a4b_6a6b:Ni-Si-Sm,22.0,A2B3C6_mP22_6_2ac_2a4b_6a6b:Ni-Si-Sm +mp-1189327,Sm2Si5Ni3,-6.1414752975,-0.7510580515,0.1093961754,0.1093961754,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Sm,20.0,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Sm +mp-1025420,SmSi2Ni,-6.1758897588,-0.83855004,0.0148720304,0.0148720304,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Sm,8.0,AB2C_oC16_63_c_2c_c:Ni-Si-Sm +mp-1191578,Sm3(SiNi3)2,-6.0107994368,-0.5846890236,0.8247066288,0.8247066288,GGA,Im-3m,A6B2C3_cI44_229_h_c_e:Ni-Si-Sm,22.0,A6B2C3_cI44_229_h_c_e:Ni-Si-Sm +mp-983479,Sm3Si,-5.1233633575,-0.2280942487,0.1598870988,0.1598870988,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Sm,8.0,AB3_hP8_194_c_h:Si-Sm +mp-10283,SmSi3Ni,-5.988472838,-0.6335374570000001,0.0492001993,0.0492001993,GGA,Cmmm,AB3C_oC20_65_g_2gh_h:Ni-Si-Sm,10.0,AB3C_oC20_65_g_2gh_h:Ni-Si-Sm +mp-567800,Sm5Si4,-5.7061946122,-0.6735054128,0.0060947765,0.0060947765,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Si-Sm,36.0,"Invalid WP multiplicities - A4B5_oP36_62_7c6d_3c9d:Si-Sm, expected Sm21Si19 to be Sm5Si4" +mp-1219171,Sm4Si9Ni7,-6.1494174405,-0.741259262,0.2080532502,0.2080532502,GGA,C2,A7B9C4_mC40_5_2ab2c_2a3b2c_2c:Ni-Si-Sm,20.0,"Invalid WP multiplicities - A7B9C4_mC40_5_2ab4c_2a3b4c_4c:Ni-Si-Sm, expected Sm8Si13Ni11 to be Sm4Si9Ni7" +mp-617312,Sm3Si2Ni,-5.7748683325,-0.6437798083,0.24200069,0.24200069,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ni-Si-Sm,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_4c_9c:Ni-Si-Sm, expected Sm9Si4Ni to be Sm3Si2Ni" +mp-1106373,Sm5Si3,-5.5655826169,-0.5819720213,0.0,-0.0136981066,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Sm,16.0,A3B5_hP16_193_g_dg:Si-Sm +mp-1191393,SmSi2Ni9,-6.1080282846,-0.4754905917,0.4656144918,0.4656144918,GGA,I4_1/amd,A9B2C_tI48_141_ai_c_b:Ni-Si-Sm,24.0,A9B2C_tI48_141_ai_c_b:Ni-Si-Sm +mp-1070955,SmSiNi4,-6.1194365633,-0.5753614158,0.8222464087,0.8222464087,GGA,Cmmm,A4BC_oC12_65_eh_a_c:Ni-Si-Sm,6.0,A4BC_oC12_65_eh_a_c:Ni-Si-Sm +mp-1219157,Sm2Si3Ni,-5.934583145,-0.6857059717,0.1473446143,0.1473446143,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Ni-Si-Sm,6.0,AB3C2_hP6_187_a_bcd_i:Ni-Si-Sm +mp-1219191,Sm3Si3Ni,-5.8973277757,-0.7242064650000001,0.1890209402,0.1890209402,GGA,Imm2,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Sm,7.0,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Sm +mp-13955,SmSi2,-5.7352482567,-0.545507525,0.0,-0.0403723758,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Sm,6.0,A2B_tI12_141_e_a:Si-Sm +mp-1025489,SmSi,-5.8296548062,-0.7577027238,0.0,-0.1161967829,GGA,Pnma,AB_oP8_62_c_c:Si-Sm,8.0,AB_oP8_62_c_c:Si-Sm +mp-3939,Sm(SiNi)2,-6.233689522,-0.807790411,0.2303803866,0.2303803866,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Sm +mp-1183786,DyHoRu2,-7.2746355275,-0.34013533,0.0115119509,0.0115119509,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Ho-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Ho-Ru +mp-1095836,Nb2RePd,-5.6340558225,3.8226989462,4.0569550667,4.0569550667,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Pd-Re,4.0,A2BC_oI8_71_e_a_b:Nb-Pd-Re +mp-2163,HoRh,-6.888482155,-0.915123785,0.0,-0.1412187108,GGA,Pm-3m,AB_cP2_221_a_b:Ho-Rh,2.0,AB_cP2_221_a_b:Ho-Rh +mp-1186377,OsRh3,-8.2413103712,0.0887623888,0.0887623888,0.0887623888,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Rh,8.0,AB3_hP8_194_c_h:Os-Rh +mp-546,HoRh2,-7.1891199717,-0.7521117683,0.0,-0.142029245,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-Rh,6.0,AB2_cF24_227_a_d:Ho-Rh +mp-30734,Ho5Rh3,-6.3619664931,-0.7363454981,0.0117059493,0.0117059493,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ho-Rh,16.0,A5B3_hP16_193_dg_g:Ho-Rh +mp-1212279,Ho4Rh,-5.059286237,0.079502433,0.5003441773,0.5003441773,GGA,Fd-3m,A4B_cF40_227_e_a:Ho-Rh,10.0,A4B_cF40_227_e_a:Ho-Rh +mp-1200753,Ho3Rh2,-6.4821495277,-0.7869810577,0.0,-0.013787857,GGA,I4/mcm,A3B2_tI140_140_bgh2m_acfh2l:Ho-Rh,70.0,A3B2_tI140_140_bgh2m_acfh2l:Ho-Rh +mp-1106336,Ho7Rh3,-6.0482411865,-0.6312626165,0.0,-0.0410268232,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Ho-Rh,20.0,A7B3_hP20_186_b2c_c:Ho-Rh +mp-1184577,Ho2OsRh,-7.4504358775,-0.5113126175,0.1036438614,0.1036438614,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Os-Rh,4.0,A2BC_cF16_225_c_a_b:Ho-Os-Rh +mp-1187966,Yb3Hf,-3.20348384,0.4405196275,0.4405196275,0.4405196275,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Yb,,AB3_tI8_139_a_bd:Hf-Yb +mp-1232422,Yb3Hf,-3.2034220675,0.4405813999999999,0.4405813999999999,0.4405813999999999,GGA,Fm-3m,AB3_cF16_225_a_bc:Hf-Yb,,AB3_cF16_225_a_bc:Hf-Yb +mp-865759,YbHfRh2,-7.3625485125,-0.80619525,0.0,-0.0736796325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Rh-Yb,,AB2C_cF16_225_a_c_b:Hf-Rh-Yb +mp-865952,AcTlAu2,-3.85375227,-0.5958567315000001,0.0,-0.1257668088,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Tl,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Tl +mp-865041,HfScRh2,-8.711552315,-0.9569838463,0.0,-0.012182645,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Hf-Rh-Sc +mp-976128,Hf5Sc,-9.36218018,-0.0091111375,0.0,-0.0062305125,GGA,P-62m,A5B_hP6_189_cg_a:Hf-Sc,6.0,A5B_hP6_189_cg_a:Hf-Sc +mp-1224300,HfSc,-8.12968473,0.0151443375,0.02061102,0.02061102,GGA,P-6m2,AB_hP2_187_a_d:Hf-Sc,2.0,AB_hP2_187_a_d:Hf-Sc +mp-1184681,Hf3Sc,-9.0553299862,-0.0043209375,0.0038790863,0.0038790863,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-Sc,8.0,A3B_hP8_194_h_c:Hf-Sc +mp-1185230,LaGdTl2,-6.3370244,-0.4026704904,0.0,-0.00128407,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-La-Tl,4.0,ABC2_cF16_225_a_b_c:Gd-La-Tl +mp-1185608,LaGd3,-11.768255455,0.0228380012,0.0228380012,0.0228380012,GGA,I4/mmm,A3B_tI8_139_ad_b:Gd-La,4.0,A3B_tI8_139_ad_b:Gd-La +mp-1185460,LaGd3,-11.7753553188,0.0157381375,0.0157381375,0.0157381375,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-La,8.0,A3B_hP8_194_h_c:Gd-La +mp-865451,Tm2MnOs,-7.4154711575,-0.0802077653,0.1621489054,0.1621489054,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Mn-Os-Tm +mp-811,BaPt5,-5.8523157117,-0.4732087883,0.0,-0.1101262817,GGA,P6/mmm,AB5_hP6_191_a_cg:Ba-Pt,6.0,AB5_hP6_191_a_cg:Ba-Pt +mp-31498,BaPt,-4.7440161225,-0.7489619925000001,0.0,-0.2043382325,GGA,P6_3/mmc,AB_hP4_194_c_a:Ba-Pt,4.0,AB_hP4_194_c_a:Ba-Pt +mp-8458,BaAsPt,-5.2117164592,-0.9953075708,0.0,-0.1461092269,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ba-Pt,12.0,ABC_cP12_198_a_a_a:As-Ba-Pt +mp-14501,Ba(As3Pt2)2,-5.5870255959,-0.6635511732,0.0,-0.0328493663,GGA,C2/c,A6BC4_mC44_15_3f_e_abf:As-Ba-Pt,22.0,"Invalid WP multiplicities - A6BC4_mC44_15_3f_e_cd2f:As-Ba-Pt, expected Ba(AsPt)6 to be Ba(As3Pt2)2" +mp-9769,BaAs2Pt,-5.1771126325,-0.8500263650000001,0.0,-0.0263398399,GGA,Cmcm,A2BC_oC16_63_2c_c_c:As-Ba-Pt,8.0,A2BC_oC16_63_2c_c_c:As-Ba-Pt +mp-1214403,Ba4Pt,-2.9374378510000003,-0.188031235,0.111553562,0.111553562,GGA,Fd-3m,A4B_cF40_227_e_a:Ba-Pt,10.0,A4B_cF40_227_e_a:Ba-Pt +mp-747,BaPt2,-5.41324554,-0.7261650133,0.0,-0.1150796229,GGA,Fd-3m,AB2_cF24_227_a_d:Ba-Pt,6.0,AB2_cF24_227_a_d:Ba-Pt +mp-862877,PmAg2Sn,-4.00316386,-0.396857314,0.0,-0.0858991577,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pm-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Pm-Sn +mp-862960,PmSn3,-4.68741232,-0.4925978481,0.0,-0.3472795083,GGA,Pm-3m,AB3_cP4_221_a_c:Pm-Sn,4.0,AB3_cP4_221_a_c:Pm-Sn +mp-862990,Pm2AgSn,-4.6168995925,-0.5310964667,0.0,-0.1146903,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Sn +mp-1191613,AsS2,-4.7141534512,-0.4034807383,0.0,-0.0456428872,GGA,P2_1,AB2_mP24_4_4a_8a:As-S,24.0,AB2_mP24_4_4a_8a:As-S +mp-557321,As4S3,-4.7584817782,-0.3233641753,0.0068164896,0.0068164896,GGA,Pnma,A4B3_oP28_62_2cd_cd:As-S,28.0,A4B3_oP28_62_2cd_cd:As-S +mp-27543,As4S3,-4.7617922054,-0.3266746024,0.0035060624,0.0035060624,GGA,Pnma,A4B3_oP28_62_2cd_cd:As-S,28.0,A4B3_oP28_62_2cd_cd:As-S +mp-1220218,Nd5S8,-6.4517921615,-2.0723816925,0.2237410312,0.2237410312,GGA,F-43m,A5B8_cF52_216_ae_2e:Nd-S,13.0,A5B8_cF52_216_ae_2e:Nd-S +mp-2656,Nd3S4,-6.70846983,-2.301292435,0.0354187832,0.0354187832,GGA,I-43d,A3B4_cI28_220_a_c:Nd-S,14.0,A3B4_cI28_220_a_c:Nd-S +mp-13568,NdS2,-6.4208584792,-2.0738427571,0.0,-0.0167635118,GGA,P2_1/c,AB2_mP12_14_e_2e:Nd-S,12.0,AB2_mP12_14_e_2e:Nd-S +mp-7698,NdS2,-6.3432138633,-1.9961981413,0.0776446158,0.0608811041,GGA,P4/nmm,AB2_tP6_129_c_ac:Nd-S,6.0,AB2_tP6_129_c_ac:Nd-S +mp-2537,NdS2,-4.8936950317,-0.5466793096,1.5271634475,1.5103999357,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-S,6.0,AB2_cF24_227_a_d:Nd-S +mp-685044,Yb16S29,-4.9076539998,-1.694525586,0.1515390296,0.1515390296,GGA,P1,A29B16_aP45_1_29a_16a:S-Yb,,A29B16_aP45_1_29a_16a:S-Yb +mp-1101633,Yb16S29,-4.7930545876,-1.5799261738,0.2661384418,0.2661384418,GGA,I-42m,A29B16_tI90_121_afg3ij_2ij:S-Yb,,"Invalid WP multiplicities - A29B16_tI90_121_a4f4g11i6j_7i5j:S-Yb, expected Yb68S125 to be Yb16S29" +mp-1820,YbS,-5.336548025,-2.4985189516,0.0,-0.2666453123,GGA,Fm-3m,AB_cF8_225_a_b:S-Yb,,AB_cF8_225_a_b:S-Yb +mp-1748,NdS,-6.72797505,-2.2756764003,0.0,-0.1610232863,GGA,Fm-3m,AB_cF8_225_a_b:Nd-S,2.0,AB_cF8_225_a_b:Nd-S +mp-1209822,Nd4S7,-6.5234825909000005,-2.1573245184,0.0501585394,0.0501585394,GGA,P-42m,A4B7_tP11_111_n_aen:Nd-S,11.0,A4B7_tP11_111_n_aen:Nd-S +mp-560786,Nd10S19,-6.482289626,-2.1280130124,0.0,-0.0046388091,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Nd-S,58.0,"Invalid WP multiplicities - A10B19_tP58_86_4e11g_2a4e27g:Nd-S, expected Nd26S59 to be Nd10S19" +mp-685187,Yb29S30,-5.1297382115,-2.269702006,0.1905373561,0.1905373561,GGA,P1,A30B29_aP118_1_60a_58a:S-Yb,,A30B29_aP118_1_60a_58a:S-Yb +mp-540678,Yb3S4,-5.0131829979,-1.9896652396,0.1862114579,0.1862114579,GGA,Pnma,A4B3_oP28_62_4c_3c:S-Yb,,A4B3_oP28_62_4c_3c:S-Yb +mp-560374,YbNdS3,-5.764931725,-2.0215106624,0.2222025725,0.2222025725,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Nd-S-Yb,,AB3C_oC20_63_c_cf_a:Nd-S-Yb +mp-438,Nd2S3,-6.7502540385,-2.3611251454,0.0,-0.1189515722,GGA,Pnma,A2B3_oP20_62_2c_3c:Nd-S,20.0,A2B3_oP20_62_2c_3c:Nd-S +mp-32586,Nd2S3,-6.733834246,-2.3447053529,0.0164197925,-0.1025317797,GGA,I-42d,A2B3_tI80_122_cde_3e:Nd-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Nd-S, expected Nd9S16 to be Nd2S3" +mp-1215747,Yb4S7,-4.7745535045,-1.5824096693,0.3001558882,0.3001558882,GGA,I-42m,A7B4_tI22_121_aci_i:S-Yb,,A7B4_tI22_121_aci_i:S-Yb +mp-16789,Yb2S3,-4.9461698363,-1.8484566042,0.1983631917,0.1983631917,GGA,P2_1/m,A3B2_mP30_11_9e_6e:S-Yb,,A3B2_mP30_11_9e_6e:S-Yb +mp-632532,Yb2S3,-5.001650783,-1.9039375509,0.142882245,0.142882245,GGA,C2/c,A3B2_mC20_15_ef_f:S-Yb,,"Invalid WP multiplicities - A3B2_mC20_15_2e3f_f:S-Yb, expected YbS4 to be Yb2S3" +mp-1194071,Yb2S3,-4.857453102,-1.7597398699,0.287079926,0.287079926,GGA,Cmc2_1,A3B2_oC60_36_3a3b_2a2b:S-Yb,,"Invalid WP multiplicities - A3B2_oC60_36_6a6b_2a2b:S-Yb, expected YbS3 to be Yb2S3" +mp-1194076,Yb2S3,-4.9880998853000005,-1.8903866532,0.1564331427,0.1564331427,GGA,Cmc2_1,A3B2_oC60_36_3a3b_2a2b:S-Yb,,"Invalid WP multiplicities - A3B2_oC60_36_6a6b_2a2b:S-Yb, expected YbS3 to be Yb2S3" +mp-1105888,Yb2S3,-5.0290297425,-1.9313165104,0.1155032855,0.1155032855,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Yb,,A3B2_oP20_62_3c_2c:S-Yb +mp-684680,Yb2S3,-5.030869552,-1.9331563199,0.113663476,0.113663476,GGA,I-42d,A3B2_tI80_122_3e_cde:S-Yb,,"Invalid WP multiplicities - A3B2_tI80_122_14e_4c4d6e:S-Yb, expected Yb5S7 to be Yb2S3" +mp-1301,Yb2S3,-4.622816843,-1.5251036109,0.521716185,0.521716185,GGA,R-3c,A3B2_hR30_167_e_c:S-Yb,,A3B2_hR30_167_e_c:S-Yb +mp-573084,Yb2S3,-4.867380863,-1.7696676309,0.277152165,0.277152165,GGA,P6_3cm,A3B2_hP30_185_3c_2a2b:S-Yb,,"Invalid WP multiplicities - A3B2_hP30_185_15c_4a6b:S-Yb, expected Yb16S45 to be Yb2S3" +mp-619061,Yb2S3,-4.64380018,-1.5460869479,0.5007328480000001,0.5007328480000001,GGA,Ia-3,A3B2_cI80_206_e_ad:S-Yb,,A3B2_cI80_206_e_ad:S-Yb +mp-685109,Yb5S9,-4.8953998057,-1.6863933627,0.1668410807,0.1668410807,GGA,P-1,A9B5_aP28_2_9i_5i:S-Yb,,"Invalid WP multiplicities - A9B5_aP28_2_15i_8i:S-Yb, expected Yb8S15 to be Yb5S9" +mp-1216489,Yb5S9,-4.9298084961,-1.7208020531,0.1324323904,0.1324323904,GGA,C2,A9B5_mC56_5_2a8c_5c:S-Yb,,"Invalid WP multiplicities - A9B5_mC56_5_2a14c_10c:S-Yb, expected Yb2S3 to be Yb5S9" +mp-976249,NdS3,-5.481568605,-1.1871943467,0.3681877211,0.3681877211,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-S,8.0,AB3_hP8_194_c_h:Nd-S +mp-1190077,Yb3NdS6,-5.328837588,-1.9082704406,0.2369960748,0.2369960748,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Nd-S-Yb,,AB6C3_mP20_11_e_6e_3e:Nd-S-Yb +mp-20797,Yb(NdS2)2,-6.0822760814,-2.1363185654,0.2640619532,0.2640619532,GGA,C222_1,A2B4C_oC28_20_c_2c_a:Nd-S-Yb,,"Invalid WP multiplicities - A2B4C_oC28_20_c_4c_a:Nd-S-Yb, expected Yb(NdS4)2 to be Yb(NdS2)2" +mp-675244,Yb(NdS2)2,-6.3448564607,-2.3988989446,0.0014815739,0.0014815739,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-S-Yb,,A2B4C_tI28_122_d_e_a:Nd-S-Yb +mp-1220205,Nd5S4,-6.4568821567,-1.9694891978,0.0533342692,0.0533342692,GGA,R-3m,A5B4_hR27_166_a2c_2c:Nd-S,9.0,"Invalid WP multiplicities - A5B4_hR27_166_a3c_3c:Nd-S, expected Nd7S6 to be Nd5S4" +mp-672705,YbS2,-5.01652303,-1.7456870254,0.0,-0.0800077244,GGA,C2/c,A2B_mC12_15_f_e:S-Yb,,A2B_mC12_15_f_e:S-Yb +mp-1076966,YbS2,-4.7629694917,-1.4921334871,0.2535535383,0.173545814,GGA,P4/nmm,A2B_tP6_129_ac_c:S-Yb,,A2B_tP6_129_ac_c:S-Yb +mp-16479,YbS2,-3.9377898133,-0.6669538088,1.0787332167,0.9987254923,GGA,Fd-3m,A2B_cF24_227_c_b:S-Yb,,A2B_cF24_227_c_b:S-Yb +mp-1220359,Nd5S9,-6.4711434464,-2.1090873061,0.0709596645,0.0709596645,GGA,C2,A5B9_mC56_5_5c_2a8c:Nd-S,28.0,"Invalid WP multiplicities - A5B9_mC56_5_10c_2a14c:Nd-S, expected Nd2S3 to be Nd5S9" +mp-13173,PtN,-6.0504356675,1.153378455,1.153378455,1.153378455,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Pt,4.0,AB_hP4_194_c_a:N-Pt +mp-13174,PtN,-6.24705881,0.9567553125,0.9567553125,0.9567553125,GGA,F-43m,AB_cF8_216_a_c:N-Pt,2.0,AB_cF8_216_a_c:N-Pt +mp-13175,PtN,-5.999411815,1.2044023075,1.2044023075,1.2044023075,GGA,Fm-3m,AB_cF8_225_a_b:N-Pt,2.0,AB_cF8_225_a_b:N-Pt +mp-570155,PtN2,-7.327807535,0.253566855,0.253566855,0.253566855,GGA,Pnnm,A2B_oP6_58_g_a:N-Pt,6.0,A2B_oP6_58_g_a:N-Pt +mp-1008809,PtN2,-6.89906011,0.68231428,0.68231428,0.68231428,GGA,P-6m2,A2B_hP3_187_h_a:N-Pt,3.0,A2B_hP3_187_h_a:N-Pt +mp-1018947,PtN2,-6.8934102017,0.6879641883000001,0.6879641883000001,0.6879641883000001,GGA,P6_3/mmc,A2B_hP6_194_e_c:N-Pt,6.0,A2B_hP6_194_e_c:N-Pt +mp-1095618,PtN2,-7.3665680642,0.2148063258,0.2148063258,0.2148063258,GGA,Pa-3,A2B_cP12_205_c_a:N-Pt,12.0,A2B_cP12_205_c_a:N-Pt +mp-1247253,Si7PtN10,-8.0131057853,-0.9345886308,0.2446715122,0.2446715122,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Pt-Si,36.0,A10BC7_mP36_7_10a_a_7a:N-Pt-Si +mp-976422,Hf3C,-8.92076351,0.8542946356000001,1.3237322125,1.3237322125,GGA,I4/mmm,AB3_tI8_139_a_bd:C-Hf,4.0,AB3_tI8_139_a_bd:C-Hf +mp-1008832,HfC,-9.768368985,-0.1754417237,0.76343343,-0.1754417237,GGA,P-6m2,AB_hP2_187_a_d:C-Hf,2.0,AB_hP2_187_a_d:C-Hf +mp-1096993,HfC,-10.3346499225,-0.7417226612000001,0.1971524925,-0.7417226612000001,GGA,P6_3/mmc,AB_hP4_194_a_c:C-Hf,4.0,AB_hP4_194_a_c:C-Hf +mp-1002124,HfC,-9.89038039,-0.2974531287,0.641422025,-0.2974531287,GGA,F-43m,AB_cF8_216_a_c:C-Hf,2.0,AB_cF8_216_a_c:C-Hf +mp-1001918,HfC,-9.19272836,0.4001989013,1.339074055,0.4001989013,GGA,Pm-3m,AB_cP2_221_a_b:C-Hf,2.0,AB_cP2_221_a_b:C-Hf +mp-21075,HfC,-10.531802415,-0.9388751537,0.0,-0.9388751537,GGA,Fm-3m,AB_cF8_225_a_b:C-Hf,2.0,AB_cF8_225_a_b:C-Hf +mp-1009820,SnC,-5.80129301,0.8178256637,0.8178256637,0.8178256637,GGA,F-43m,AB_cF8_216_a_c:C-Sn,2.0,AB_cF8_216_a_c:C-Sn +mp-1009822,SnC,-5.323593435,1.2955252387,1.2955252387,1.2955252387,GGA,Fm-3m,AB_cF8_225_a_b:C-Sn,2.0,AB_cF8_225_a_b:C-Sn +mp-4893,Hf2SnC,-9.0586933937,-0.7705395419000001,0.0,-0.1182354737,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Hf-Sn,8.0,AB2C_hP8_194_a_f_c:C-Hf-Sn +mp-1009538,PdC,-5.988175935,1.2160977163,1.2160977163,1.2160977163,GGA,F-43m,AB_cF8_216_a_c:C-Pd,2.0,AB_cF8_216_a_c:C-Pd +mp-1009533,PdC,-5.717010195,1.4872634562,1.4872634562,1.4872634562,GGA,Fm-3m,AB_cF8_225_a_b:C-Pd,2.0,AB_cF8_225_a_b:C-Pd +mp-1213965,CaC,-4.480984235,1.1361484512,1.1361484512,1.1361484512,GGA,Fm-3m,AB_cF8_225_a_b:C-Ca,2.0,AB_cF8_225_a_b:C-Ca +mp-1214610,CaC12,-5.5539486208,3.11909644,3.11909644,3.11909644,GGA,Cmmm,A12B_oC26_65_mpq_a:C-Ca,13.0,"Invalid WP multiplicities - A12B_oC26_65_3m4p3q_a:C-Ca, expected CaC40 to be CaC12" +mp-12572,CaPd3C,-5.548325868,-0.1935437075,0.2309749145,0.2309749145,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ca-Pd,5.0,ABC3_cP5_221_b_a_c:C-Ca-Pd +mp-642822,CaC2,-6.79641936,0.024557595,0.024557595,0.024557595,GGA,P-1,A2B_aP6_2_2i_i:C-Ca,6.0,A2B_aP6_2_2i_i:C-Ca +mp-917,CaC2,-6.8065353933,0.0144415617,0.0144415617,0.0144415617,GGA,C2/m,A2B_mC12_12_2i_i:C-Ca,6.0,A2B_mC12_12_2i_i:C-Ca +mp-1061823,CaC2,-2.86732851,3.953648445,3.953648445,3.953648445,GGA,C2/m,A2B_mC6_12_i_a:C-Ca,3.0,A2B_mC6_12_i_a:C-Ca +mp-1071152,CaC2,-5.8371484633,0.9838284917,0.9838284917,0.9838284917,GGA,C2/m,A2B_mC12_12_2i_i:C-Ca,6.0,A2B_mC12_12_2i_i:C-Ca +mp-1071565,CaC2,-3.1879911033,3.6329858517,3.6329858517,3.6329858517,GGA,C2/m,A2B_mC12_12_2i_i:C-Ca,6.0,A2B_mC12_12_2i_i:C-Ca +mp-1575,CaC2,-6.8058124417,0.0151645133,0.0151645133,0.0151645133,GGA,C2/c,A2B_mC12_15_f_e:C-Ca,6.0,A2B_mC12_15_f_e:C-Ca +mp-684668,CaC2,-6.7524595983,0.0685173567,0.0685173567,0.0685173567,GGA,Pnnm,A2B_oP6_58_g_a:C-Ca,6.0,A2B_oP6_58_g_a:C-Ca +mp-1077545,CaC2,-6.8013621317,0.0196148233,0.0196148233,0.0196148233,GGA,Cmcm,A2B_oC12_63_f_c:C-Ca,6.0,A2B_oC12_63_f_c:C-Ca +mp-1072492,CaC2,-6.6032487167,0.2177282383,0.2177282383,0.2177282383,GGA,Immm,A2B_oI12_71_ef_g:C-Ca,6.0,A2B_oI12_71_ef_g:C-Ca +mp-2382752,CaC2,-6.8047208033,0.0162561517,0.0162561517,0.0162561517,GGA,Immm,A2B_oI6_71_f_a:C-Ca,6.0,A2B_oI6_71_f_a:C-Ca +mp-2482,CaC2,-6.7987599433,0.0222170117,0.0222170117,0.0222170117,GGA,I4/mmm,A2B_tI6_139_e_a:C-Ca,3.0,A2B_tI6_139_e_a:C-Ca +mp-1009653,CaC2,-6.6157628033,0.2052141517,0.2052141517,0.2052141517,GGA,R-3m,A2B_hR9_166_c_a:C-Ca,3.0,A2B_hR9_166_c_a:C-Ca +mp-1227257,CaC2,-6.7653928767,0.0555840783,0.0555840783,0.0555840783,GGA,R-3m,A2B_hR9_166_c_a:C-Ca,3.0,A2B_hR9_166_c_a:C-Ca +mp-1009655,CaC2,-6.0762237633,0.7447531917,0.7447531917,0.7447531917,GGA,P6/mmm,A2B_hP3_191_c_b:C-Ca,3.0,A2B_hP3_191_c_b:C-Ca +mp-570697,CaC2,-6.0566040092,0.7643729458,0.7643729458,0.7643729458,GGA,Pn-3m,A2B_cP12_224_e_b:C-Ca,12.0,A2B_cP12_224_e_b:C-Ca +mp-1022724,CaC4,-7.457745184,0.326307186,0.326307186,0.326307186,GGA,P4/mmm,A4B_tP5_123_l_d:C-Ca,5.0,A4B_tP5_123_l_d:C-Ca +mp-1214031,CaC4,-2.655145638,5.128906732,5.128906732,5.128906732,GGA,Pn-3m,A4B_cP10_224_e_a:C-Ca,10.0,A4B_cP10_224_e_a:C-Ca +mp-1206211,CaC6,-7.4406532129,0.7561457636000001,0.7561457636000001,0.7561457636000001,GGA,P-1,A6B_aP7_2_3i_a:C-Ca,7.0,A6B_aP7_2_3i_a:C-Ca +mp-568505,As4C3,-5.7443654814,0.8731302468000001,0.8731302468000001,0.8731302468000001,GGA,P-43m,A4B3_cP7_215_e_c:As-C,7.0,A4B3_cP7_215_e_c:As-C +mp-32679,Nb10C7,-10.2190536241,-0.4770707507,0.03979726,0.03979726,GGA,C2/m,A7B10_mC34_12_ag2h_i2j:C-Nb,17.0,"Invalid WP multiplicities - A7B10_mC34_12_a2g3h_2i5j:C-Nb, expected Nb24C11 to be Nb10C7" +mp-1173628,Nb39C34,-10.1402751333,-0.445404951,0.0880016985,0.0880016985,GGA,P-3m1,A34B39_hP73_164_6c11d_a6c13d:C-Nb,73.0,"Invalid WP multiplicities - A34B39_hP73_164_12c20d_a12c25d:C-Nb, expected Nb75C64 to be Nb39C34" +mp-9989,Nb2AsC,-9.1414617187,-0.6188632244,0.0,-0.0310087066,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:As-C-Nb,8.0,ABC2_hP8_194_c_a_f:As-C-Nb +mp-1220501,Nb4C3,-10.1666610229,-0.4393443604,0.0884171814,0.0884171814,GGA,R3m,A3B4_hR21_160_3a_4a:C-Nb,7.0,A3B4_hR21_160_3a_4a:C-Nb +mp-1220515,Nb4C3,-10.2009681329,-0.4736514704,0.0541100714,0.0541100714,GGA,R-3m,A3B4_hR21_166_ac_2c:C-Nb,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:C-Nb, expected Nb4C5 to be Nb4C3" +mp-15660,Nb4C3,-10.0884473729,-0.3611307104,0.1666308314,0.1666308314,GGA,Pm-3m,A3B4_cP7_221_d_ac:C-Nb,7.0,A3B4_cP7_221_d_ac:C-Nb +mp-569989,Nb2C,-10.2764567233,-0.4660315325,0.0,-0.0666604,GGA,Pnma,AB2_oP12_62_c_2c:C-Nb,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_5c:C-Nb, expected Nb5C to be Nb2C" +mp-2318,Nb2C,-10.2583425,-0.4479173092,0.0181142233,-0.0485461767,GGA,P-3m1,AB2_hP3_164_a_d:C-Nb,3.0,AB2_hP3_164_a_d:C-Nb +mp-2760,Nb6C5,-10.2492476991,-0.5445969989,0.0,-0.0765708636,GGA,C2/m,A5B6_mC22_12_agh_ij:C-Nb,11.0,A5B6_mC22_12_agh_ij:C-Nb +mp-999377,NbC,-9.754034,-0.0890487338,0.4101651819,0.4101651819,GGA,P6_3/mmc,AB_hP4_194_c_a:C-Nb,4.0,AB_hP4_194_c_a:C-Nb +mp-999388,NbC,-9.99563869,-0.3306534238,0.1685604919,0.1685604919,GGA,P6_3/mmc,AB_hP4_194_c_d:C-Nb,4.0,AB_hP4_194_c_d:C-Nb +mp-1094093,NbC,-10.0185426675,-0.3535574013,0.1456565144,0.1456565144,GGA,P6_3/mmc,AB_hP4_194_a_c:C-Nb,4.0,AB_hP4_194_a_c:C-Nb +mp-1009458,NbC,-9.571169245,0.0938160212,0.5930299369,0.5930299369,GGA,F-43m,AB_cF8_216_a_c:C-Nb,2.0,AB_cF8_216_a_c:C-Nb +mp-1009459,NbC,-9.205328575,0.4596566913,0.9588706069,0.9588706069,GGA,Pm-3m,AB_cP2_221_a_b:C-Nb,2.0,AB_cP2_221_a_b:C-Nb +mp-910,NbC,-10.123167065,-0.4581817988,0.0410321169,0.0410321169,GGA,Fm-3m,AB_cF8_225_a_b:C-Nb,2.0,AB_cF8_225_a_b:C-Nb +mp-1096279,NbTcW2,-6.763961565,4.8305895462,4.8953545275,4.8953545275,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Tc-W,4.0,ABC2_oI8_71_a_b_e:Nb-Tc-W +mp-1217337,TcW,-11.55373515,0.1056494375,0.1056494375,0.1056494375,GGA,Cmmm,AB_oC4_65_a_c:Tc-W,2.0,AB_oC4_65_a_c:Tc-W +mp-1187398,Tc3W,-10.9027724912,0.107239275,0.107239275,0.107239275,GGA,P6_3/mmc,A3B_hP8_194_h_c:Tc-W,8.0,A3B_hP8_194_h_c:Tc-W +mp-1096606,Nb2TcW,-6.36354297,4.5168018437,4.6052896625,4.6052896625,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Tc-W,4.0,A2BC_oI8_71_e_a_b:Nb-Tc-W +mp-1096525,NbTc2W,-6.6120303375,4.3331479525,4.3979129337,4.3979129337,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Tc-W,4.0,AB2C_oI8_71_a_e_b:Nb-Tc-W +mp-1220316,NbW,-11.57123432,-0.041516685,0.0,-0.041516685,GGA,Cmmm,AB_oC4_65_a_c:Nb-W,2.0,AB_oC4_65_a_c:Nb-W +mp-540884,YCl,-5.953387235,-1.7958833483,0.0523197756,0.0523197756,GGA,R-3m,AB_hR12_166_c_c:Cl-Y,4.0,AB_hR12_166_c_c:Cl-Y +mp-27455,YCl3,-5.74707595,-2.7440556767,0.0,-1.3579033337,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Y,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Cl-Y, expected YCl5 to be YCl3" +mp-27678,Y2Cl3,-5.91355419,-2.2178437487,0.0,-0.0225992073,GGA,C2/m,A3B2_mC20_12_3i_2i:Cl-Y,10.0,A3B2_mC20_12_3i_2i:Cl-Y +mp-1224571,GdThN2,-11.29922331,-1.758480725,0.0,-0.0027841575,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-N-Th,4.0,AB2C_hR12_166_a_c_b:Gd-N-Th +mp-940,GdN,-12.965180225,-1.7588716425,0.0,-1.7588716425,GGA,Fm-3m,AB_cF8_225_a_b:Gd-N,2.0,AB_cF8_225_a_b:Gd-N +mp-1178810,VIr,-9.4799905194,-0.5188203944,0.0158656856,-0.0102123294,GGA,C2/m,AB_mC64_12_4i2j_2g3j:Ir-V,32.0,"Invalid WP multiplicities - AB_mC64_12_7i3j_2g5j:Ir-V, expected V12Ir13 to be VIr" +mp-982070,VIr,-9.48426479,-0.523094665,0.011591415,-0.0144865999999999,GGA,Cmcm,AB_oC16_63_g_2c:Ir-V,8.0,"Invalid WP multiplicities - AB_oC16_63_g_4c:Ir-V, expected V2Ir to be VIr" +mp-1204410,VIr,-9.4788167453,-0.5176466203,0.0170394597,-0.0090385553,GGA,Cmcm,AB_oC64_63_de2g_4f:Ir-V,32.0,AB_oC64_63_de2g_4f:Ir-V +mp-569250,VIr,-9.495856205,-0.5346860800000001,0.0,-0.026078015,GGA,Cmmm,AB_oC8_65_g_j:Ir-V,4.0,AB_oC8_65_g_j:Ir-V +mp-1079131,VIr,-9.477331685,-0.51616156,0.01852452,-0.007553495,GGA,Cmmm,AB_oC16_65_eh_abj:Ir-V,8.0,AB_oC16_65_eh_abj:Ir-V +mp-1079582,VIr,-9.4792150638,-0.5180449388,0.0166411413,-0.0094368737,GGA,Cmmm,AB_oC16_65_q_abg:Ir-V,8.0,"Invalid WP multiplicities - AB_oC16_65_q_ab2g:Ir-V, expected V3Ir2 to be VIr" +mp-1178808,VIr,-9.4797586219,-0.5185884969,0.0160975831,-0.0099804319,GGA,Immm,AB_oI64_71_2lo_2e2f2m:Ir-V,32.0,"Invalid WP multiplicities - AB_oI64_71_4l2o_2e2f4m:Ir-V, expected V3Ir4 to be VIr" +mp-1281,VIr,-9.467773375,-0.5066032500000001,0.02808283,0.002004815,GGA,P4/mmm,AB_tP2_123_a_d:Ir-V,2.0,AB_tP2_123_a_d:Ir-V +mp-2006,V3Ir,-9.521162875,-0.4986247775,0.0,-0.2312817375,GGA,Pm-3n,AB3_cP8_223_a_c:Ir-V,8.0,AB3_cP8_223_a_c:Ir-V +mp-865496,VIr3,-9.418393505,-0.5185913525,0.0,-0.2512483125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-V,8.0,A3B_hP8_194_h_c:Ir-V +mp-1082,VIr3,-9.395904995,-0.4961028425,0.02248851,-0.2287598025,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-V,4.0,A3B_cP4_221_c_a:Ir-V +mp-1216454,V4Ir,-9.193256386,-0.158444694,0.240455128,0.240455128,GGA,Fmmm,AB4_oF20_69_a_2g:Ir-V,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Ir-V, expected V6Ir to be V4Ir" +mp-867927,LiVIr2,-7.6592875075,-0.4918631833,0.0,-0.091548595,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-V,4.0,A2BC_cF16_225_c_a_b:Ir-Li-V +mp-1207194,Cu3RhN,-5.345881548,0.253803013,0.253803013,0.253803013,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cu-N-Rh,5.0,A3BC_cP5_221_c_b_a:Cu-N-Rh +mp-2118,RhN3,-7.63775777,0.4556903913,0.4556903913,0.4556903913,GGA,Im-3,A3B_cI32_204_g_c:N-Rh,16.0,A3B_cI32_204_g_c:N-Rh +mp-1198545,CuN8,-6.6211045858,1.2445805331,1.2445805331,1.2445805331,GGA,Pnma,AB8_oP36_62_c_6cd:Cu-N,36.0,AB8_oP36_62_c_6cd:Cu-N +mp-504768,CuN3,-6.9801468956,0.2970259656,0.2970259656,0.2970259656,GGA,I4_1/a,AB3_tI32_88_c_df:Cu-N,16.0,AB3_tI32_88_c_df:Cu-N +mp-27954,CuN3,-6.9833774037000005,0.2937954575,0.2937954575,0.2937954575,GGA,I4_1/amd,AB3_tI32_141_c_dh:Cu-N,16.0,"Invalid WP multiplicities - AB3_tI32_141_c_d2h:Cu-N, expected CuN5 to be CuN3" +mp-1225758,Cu3N,-4.81403663,0.3444921037,0.3444921037,0.3444921037,GGA,Immm,A3B_oI8_71_ae_c:Cu-N,4.0,"Invalid WP multiplicities - A3B_oI8_71_a2e_c:Cu-N, expected Cu5N to be Cu3N" +mp-1078576,Cu3N,-4.6292723188,0.529256415,0.529256415,0.529256415,GGA,P4/mmm,A3B_tP8_123_egh_ab:Cu-N,8.0,A3B_tP8_123_egh_ab:Cu-N +mp-1203286,Cu3N,-4.6175380819,0.5409906519000001,0.5409906519000001,0.5409906519000001,GGA,P4/mmm,A3B_tP32_123_ilmnr_abcdef:Cu-N,32.0,A3B_tP32_123_ilmnr_abcdef:Cu-N +mp-1225717,Cu3N,-4.76938046,0.3891482738,0.3891482738,0.3891482738,GGA,I4/mmm,A3B_tI8_139_ae_b:Cu-N,4.0,A3B_tI8_139_ae_b:Cu-N +mp-1225746,Cu3N,-4.6440747825,0.5144539513,0.5144539513,0.5144539513,GGA,P-3m1,A3B_hP4_164_ad_b:Cu-N,4.0,A3B_hP4_164_ad_b:Cu-N +mp-1933,Cu3N,-4.9664483175,0.1920804162,0.1920804162,0.1920804162,GGA,Pm-3m,A3B_cP4_221_c_b:Cu-N,4.0,A3B_cP4_221_c_b:Cu-N +mp-13480,Cu3N,-4.3566441225,0.8018846112,0.8018846112,0.8018846112,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-N,4.0,A3B_cP4_221_c_a:Cu-N +mp-1147700,Cu2N,-5.1604182867,0.3512178017,0.3512178017,0.3512178017,GGA,P4/mmm,A2B_tP3_123_bc_a:Cu-N,3.0,A2B_tP3_123_bc_a:Cu-N +mp-1080203,CuN,-6.0123057925,0.205545005,0.205545005,0.205545005,GGA,C2/m,AB_mC8_12_i_i:Cu-N,4.0,AB_mC8_12_i_i:Cu-N +mp-1425089,CuN,-4.888579025,1.3292717725,1.3292717725,1.3292717725,GGA,Ama2,AB_oC8_40_b_b:Cu-N,4.0,AB_tP4_131_a_c:Cu-N +mp-13117,CuN,-5.42187222,0.7959785775,0.7959785775,0.7959785775,GGA,F-43m,AB_cF8_216_a_c:Cu-N,2.0,AB_cF8_216_a_c:Cu-N +mp-1008923,CuN,-4.9973571450000005,1.2204936525,1.2204936525,1.2204936525,GGA,Pm-3m,AB_cP2_221_a_b:Cu-N,2.0,AB_cP2_221_a_b:Cu-N +mp-1008922,CuN,-5.375882715,0.8419680825,0.8419680825,0.8419680825,GGA,Fm-3m,AB_cF8_225_a_b:Cu-N,2.0,AB_cF8_225_a_b:Cu-N +mp-1213154,CuN5,-6.0500664283,1.5802137875,1.5802137875,1.5802137875,GGA,I4_1/a,AB5_tI24_88_a_bf:Cu-N,,AB5_tI24_88_a_bf:Cu-N +mp-567617,RhN2,-7.8896168192,0.1228157542,0.1228157542,0.1228157542,GGA,P2_1/c,A2B_mP12_14_2e_e:N-Rh,12.0,"Invalid WP multiplicities - A2B_mP12_14_4e_e:N-Rh, expected RhN4 to be RhN2" +mp-20304,RhN2,-7.8900791833,0.12235339,0.12235339,0.12235339,GGA,Pnnm,A2B_oP6_58_g_a:N-Rh,6.0,A2B_oP6_58_g_a:N-Rh +mp-1225831,Cu10N3,-4.8795834723,0.1974589488,0.1974589488,0.1974589488,GGA,P-3m1,A10B3_hP13_164_aei_bd:Cu-N,13.0,"Invalid WP multiplicities - A10B3_hP13_164_a3e4i_bd:Cu-N, expected Cu34N3 to be Cu10N3" +mp-1009732,RhN,-6.93970798,0.9106934175,0.9106934175,0.9106934175,GGA,P-6m2,AB_hP2_187_a_d:N-Rh,2.0,AB_hP2_187_a_d:N-Rh +mp-999263,RhN,-7.241509605,0.6088917925,0.6088917925,0.6088917925,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Rh,4.0,AB_hP4_194_c_a:N-Rh +mp-1009734,RhN,-7.515697555,0.3347038425,0.3347038425,0.3347038425,GGA,F-43m,AB_cF8_216_a_c:N-Rh,2.0,AB_cF8_216_a_c:N-Rh +mp-1009720,RhN,-7.06951902,0.7808823775,0.7808823775,0.7808823775,GGA,Fm-3m,AB_cF8_225_a_b:N-Rh,2.0,AB_cF8_225_a_b:N-Rh +mp-608366,CuN6,-7.3919625207,0.3392055107,0.3392055107,0.3392055107,GGA,Pnma,AB6_oP28_62_c_6c:Cu-N,28.0,"Invalid WP multiplicities - AB6_oP28_62_c_23c:Cu-N, expected CuN23 to be CuN6" +mp-30103,AuF5,-3.2692249583,-1.1306788188,0.0,-0.2502614264,GGA,Pnma,AB5_oP48_62_d_2c4d:Au-F,48.0,AB5_oP48_62_d_2c4d:Au-F +mp-14761,TmAu2F9,-4.7456934915,-2.3934509806,0.0,-0.1387882812,GGA,Pbcn,A2B9C_oP144_60_3d_a13d_cd:Au-F-Tm,144.0,A2B9C_oP144_60_3d_a13d_cd:Au-F-Tm +mp-942,AuF3,-3.5727058142,-1.3206260885,0.0,-0.0671035656,GGA,P6_122,AB3_hP24_178_b_ac:Au-F,24.0,"Invalid WP multiplicities - AB3_hP24_178_b_a2c:Au-F, expected AuF5 to be AuF3" +mp-17407,Au3F8,-3.5700687823,-1.2870253514,0.0,-0.0064182352,GGA,P2_1/c,A3B8_mP22_14_ae_4e:Au-F,22.0,"Invalid WP multiplicities - A3B8_mP22_14_ae_5e:Au-F, expected Au3F10 to be Au3F8" +mp-981262,YbF,-4.7356631125,-3.0101194888,0.3403658988,0.3403658988,GGA,P6_3mc,AB_hP4_186_b_b:F-Yb,,AB_hP4_186_b_b:F-Yb +mp-865934,YbF2,-6.2548359217,-4.46731385,0.0,-1.1866821225,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Yb,,A2B_tP6_136_f_a:F-Yb +mp-22072,YbF3,-5.2343991425,-3.4158878469,0.0,-0.0654024594,GGA,Pnma,A3B_oP16_62_cd_c:F-Yb,,A3B_oP16_62_cd_c:F-Yb +mp-1187637,YbF3,-5.11696671,-3.2984554144,0.1174324325,0.0520299731,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Yb,,A3B_tI8_139_ad_b:F-Yb +mp-1187594,YbF3,-5.0976010225,-3.2790897269,0.13679812,0.0713956606,GGA,Fm-3m,A3B_cF16_225_ac_b:F-Yb,,A3B_cF16_225_ac_b:F-Yb +mp-561845,YbAu2F9,-4.1907862274,-2.0832293118,0.0,-0.0234181003,GGA,Pbcn,A2B9C_oP144_60_3d_a13d_cd:Au-F-Yb,,"Invalid WP multiplicities - A2B9C_oP144_60_16d_3a99d_4c5d:Au-F-Yb, expected Yb14Au32F201 to be YbAu2F9" +mp-1191413,YRh3,-7.7028966433,-0.5630479625,0.0,-0.0143290446,GGA,P6_3/mmc,A3B_hP24_194_abck_df:Rh-Y,24.0,A3B_hP24_194_abck_df:Rh-Y +mp-980944,Yb3Y,-2.6526144288,0.1187095596,0.1187095596,0.1187095596,GGA,P6_3/mmc,AB3_hP8_194_c_h:Y-Yb,,AB3_hP8_194_c_h:Y-Yb +mp-1207780,Y3Rh,-7.1981180919,-0.5071877894,0.0,-0.0102266767,GGA,Pnma,AB3_oP16_62_c_cd:Rh-Y,16.0,AB3_oP16_62_c_cd:Rh-Y +mp-1215548,Yb4Y,-2.467953308,0.0570275387,0.0570275387,0.0570275387,GGA,R-3m,AB4_hR15_166_a_2c:Y-Yb,,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Y-Yb, expected Yb6Y to be Yb4Y" +mp-1196999,Y3Rh2,-7.5614034387,-0.7357976227,0.0,-0.0116192285,GGA,I4/mcm,A2B3_tI140_140_acfh2l_bgh2m:Rh-Y,70.0,A2B3_tI140_140_acfh2l_bgh2m:Rh-Y +mp-1187547,YbY3,-5.125556685,0.10919872,0.10919872,0.10919872,GGA,I4/mmm,A3B_tI8_139_ad_b:Y-Yb,,A3B_tI8_139_ad_b:Y-Yb +mp-191,YRh,-7.767392945,-0.8520034533,0.0,-0.1177704802,GGA,Pm-3m,AB_cP2_221_a_b:Rh-Y,2.0,AB_cP2_221_a_b:Rh-Y +mp-865429,YbYRh2,-6.439697755,-0.7560239717,0.0,-0.0267022775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Y-Yb,,A2BC_cF16_225_c_a_b:Rh-Y-Yb +mp-1207778,Y4Rh,-6.547224545,0.0988139197,0.5045641512,0.5045641512,GGA,Fd-3m,AB4_cF40_227_a_e:Rh-Y,10.0,AB4_cF40_227_a_e:Rh-Y +mp-1189474,Y7Rh3,-7.3321754755,-0.5963533352,0.0,-0.012962268,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Rh-Y,20.0,A3B7_hP20_186_c_b2c:Rh-Y +mp-11565,YRh5,-7.5069175983,-0.2922491878,0.0831161206,0.0831161206,GGA,P6/mmm,A5B_hP6_191_cg_a:Rh-Y,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Rh-Y, expected YRh7 to be YRh5" +mp-921,YRh2,-7.796654175,-0.7316252239000001,0.0,-0.0722587644,GGA,Fd-3m,A2B_cF24_227_c_b:Rh-Y,6.0,A2B_cF24_227_c_b:Rh-Y +mp-9926,SrRhF6,-5.3123960212,-2.7470616302,0.0,-0.0647541834,GGA,R-3m,A6BC_hR24_166_h_a_b:F-Rh-Sr,8.0,A6BC_hR24_166_h_a_b:F-Rh-Sr +mp-1179720,RhF3,-4.7528917337,-1.4782055406,0.3591116425,0.0347188974,GGA,C2/c,A3B_mC16_15_ef_a:F-Rh,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_c:F-Rh, expected RhF8 to be RhF3" +mp-21208,RhF3,-5.0063794233,-1.7316932302,0.1056239529,-0.2187687922,GGA,P321,A3B_hP12_150_eg_bd:F-Rh,12.0,"Invalid WP multiplicities - A3B_hP12_150_e2g_bd:F-Rh, expected RhF5 to be RhF3" +mp-2068,RhF3,-5.1120033762,-1.8373171831,0.0,-0.3243927451,GGA,R-3c,A3B_hR24_167_e_b:F-Rh,8.0,A3B_hR24_167_e_b:F-Rh +mp-1187177,SrF3,-4.980774135,-3.124791546,0.0496272919,0.0496272919,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Sr,4.0,A3B_tI8_139_ad_b:F-Sr +mp-1102240,SrF2,-6.0054694583,-4.1679856622,0.0645727883,-1.1332377433,GGA,Pnma,A2B_oP12_62_2c_c:F-Sr,12.0,A2B_oP12_62_2c_c:F-Sr +mp-1102911,SrF2,-6.0225092792,-4.1850254831,0.0475329675,-1.1502775642,GGA,Pnma,A2B_oP12_62_2c_c:F-Sr,12.0,A2B_oP12_62_2c_c:F-Sr +mp-1019258,SrF2,-5.8990774933,-4.0615936972,0.1709647533,-1.0268457783,GGA,P6_3/mmc,A2B_hP6_194_ac_d:F-Sr,6.0,A2B_hP6_194_ac_d:F-Sr +mp-981,SrF2,-6.0700422467,-4.2325584506,0.0,-1.1978105317,GGA,Fm-3m,A2B_cF12_225_c_a:F-Sr,3.0,A2B_cF12_225_c_a:F-Sr +mp-1187162,SrF,-4.655146875,-2.8546606646,0.3197581733,0.3197581733,GGA,P6_3mc,AB_hP4_186_b_b:F-Sr,4.0,AB_hP4_186_b_b:F-Sr +mp-541114,Sr2RhF7,-5.6954403778,-3.2830756228,0.0,-0.0086136793,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Rh-Sr,40.0,A7BC2_mP40_14_7e_e_2e:F-Rh-Sr +mp-1211210,Sr3RhF12,-4.9864169944,-2.7757585044,0.3088629913,0.3088629913,GGA,C2/m,A12BC3_mC32_12_3j_a_de:F-Rh-Sr,16.0,"Invalid WP multiplicities - A12BC3_mC32_12_10j_c_ae:F-Rh-Sr, expected Sr3RhF40 to be Sr3RhF12" +mp-1237311,Sr3RhF12,-5.0484438575,-2.8377853675,0.2468361281,0.2468361281,GGA,Cmmm,A12BC3_oC32_65_nr_a_de:F-Rh-Sr,16.0,"Invalid WP multiplicities - A12BC3_mC32_12_10j_c_be:F-Rh-Sr, expected Sr3RhF40 to be Sr3RhF12" +mp-974386,Rh3F,-5.8960631375,0.1050375069,0.7174765679,0.7174765679,GGA,I4/mmm,AB3_tI8_139_a_bd:F-Rh,4.0,AB3_tI8_139_a_bd:F-Rh +mp-540622,RhF5,-4.5013109379,-1.6810271533,0.0,-0.0215213487,GGA,P2_1/c,A5B_mP48_14_10e_2e:F-Rh,48.0,A5B_mP48_14_10e_2e:F-Rh +mp-1209757,RhF6,-3.9024610657,-1.2120065407,0.3966960129,0.2288738764,GGA,C2/c,A6B_mC28_15_3f_c:F-Rh,14.0,"Invalid WP multiplicities - A6B_mC28_15_10f_c:F-Rh, expected RhF20 to be RhF6" +mp-1209109,RhF6,-4.2929067318,-1.6024522068,0.0062503468,-0.1615717896,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Rh,28.0,A6B_oP28_62_2c2d_c:F-Rh +mp-1025250,RhF6,-4.2991570786,-1.6087025536,0.0,-0.1678221364,GGA,Im-3m,A6B_cI14_229_e_a:F-Rh,7.0,A6B_cI14_229_e_a:F-Rh +mp-573425,Y8Co5,-6.88485263,-0.1715174083,0.0012234444,0.0012234444,GGA,P2_1/c,A5B8_mP52_14_5e_8e:Co-Y,52.0,A5B8_mP52_14_5e_8e:Co-Y +mp-1187829,Y3Th,-6.64691751,0.0564003875,0.0564003875,0.0564003875,GGA,I4/mmm,AB3_tI8_139_a_bd:Th-Y,4.0,AB3_tI8_139_a_bd:Th-Y +mp-981549,Y3Th,-6.6484483138,0.0548695837,0.0548695837,0.0548695837,GGA,P6_3/mmc,AB3_hP8_194_c_h:Th-Y,8.0,AB3_hP8_194_c_h:Th-Y +mp-1188333,Y2Co7,-7.0284218933,-0.0627366943,0.073892643,0.073892643,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Y,18.0,A7B2_hR54_166_a2cdh_2c:Co-Y +mp-1106140,Y2Co17,-7.1349897079,-0.0942347215,0.0,-0.0282325508,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Y,19.0,A17B2_hR57_166_cdfh_c:Co-Y +mp-570718,Y2Co17,-7.1330721134,-0.092317127,0.0019175945,-0.0263149563,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Y,38.0,"Invalid WP multiplicities - A17B2_hP38_194_4f6g7j6k_2b2c:Co-Y, expected YCo26 to be Y2Co17" +mp-1215891,YTh,-6.76542676,0.1747379217,0.1747379217,0.1747379217,GGA,Cmmm,AB_oC4_65_a_c:Th-Y,2.0,AB_oC4_65_a_c:Th-Y +mp-1215899,YTh,-6.910983535,0.0291811467,0.0291811467,0.0291811467,GGA,R-3m,AB_hR6_166_a_b:Th-Y,2.0,AB_hR6_166_a_b:Th-Y +mp-1215923,YTh,-6.87095035,0.0692143317,0.0692143317,0.0692143317,GGA,P-6m2,AB_hP2_187_a_d:Th-Y,2.0,AB_hP2_187_a_d:Th-Y +mp-2827,YCo5,-7.105846785,-0.1045034369,0.0119884578,0.0119884578,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Y,6.0,A5B_hP6_191_cg_a:Co-Y +mp-1216292,Y4Co3,-6.8905071190000005,-0.1489588564,0.0330999585,0.0330999585,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Y,21.0,A3B4_hP21_147_adg_2g:Co-Y +mp-1294,YCo2,-7.0712731233,-0.1769042222,0.0,-0.0231781601,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Y,6.0,A2B_cF24_227_c_b:Co-Y +mp-1189329,Y3Co,-6.7695808812,-0.1426480975,0.0015564963,-0.0311617821,GGA,P2_1,AB3_mP16_4_2a_6a:Co-Y,16.0,AB3_oP16_19_a_3a:Co-Y +mp-1105598,Y3Co,-6.7711373775,-0.1442045937,0.0,-0.0327182783,GGA,Pnma,AB3_oP16_62_c_cd:Co-Y,16.0,AB3_oP16_62_c_cd:Co-Y +mp-2588,YCo3,-7.043999995,-0.0961438704,0.0505541881,0.0505541881,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Y,12.0,"Invalid WP multiplicities - A3B_hR36_166_ac2h_bc:Co-Y, expected YCo5 to be YCo3" +mp-1192425,YCo3,-7.0538418029,-0.1059856783,0.0407123802,0.0407123802,GGA,P6_3/mmc,A3B_hP24_194_abck_df:Co-Y,24.0,A3B_hP24_194_abck_df:Co-Y +mp-1215983,YThCo10,-7.2039915217,-0.1236992456,0.0125814439,0.0125814439,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-Th-Y,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-Th-Y, expected YThCo12 to be YThCo10" +mp-8053,YCo,-6.981067115,-0.1936726608,0.0035278425,-0.0199515559,GGA,Cmcm,AB_oC8_63_c_c:Co-Y,4.0,AB_oC8_63_c_c:Co-Y +mp-865373,YCo,-6.9845949575,-0.1972005033,0.0,-0.0234793984,GGA,R-3m,AB_hR12_166_c_c:Co-Y,4.0,AB_hR12_166_c_c:Co-Y +mp-616512,Y3Co2,-6.888381492,-0.165171706,0.0108304335,0.0108304335,GGA,Pnnm,A2B3_oP20_58_2g_3g:Co-Y,20.0,"Invalid WP multiplicities - A2B3_oP20_58_8g_8g:Co-Y, expected YCo to be Y3Co2" +mp-1187501,TlH,-2.520798075,0.3568865208,0.3568865208,0.3568865208,GGA,P6_3mc,AB_hP4_186_b_b:H-Tl,4.0,AB_hP4_186_b_b:H-Tl +mp-1224352,H4Pd3,-4.1051001043,0.05354984,0.1247425571,0.1247425571,GGA,P4mm,A4B3_tP7_99_2c_2ab:H-Pd,7.0,"Invalid WP multiplicities - A4B3_tP7_99_4c_2ab:H-Pd, expected H8Pd3 to be H4Pd3" +mp-1068746,TlHPd3,-4.519761002,-0.2607580777,0.0,-0.082505721,GGA,Pm-3m,AB3C_cP5_221_b_c_a:H-Pd-Tl,5.0,AB3C_cP5_221_b_c_a:H-Pd-Tl +mp-971835,Tl3H,-2.2226776625,0.3974862087,0.3974862087,0.3974862087,GGA,I4/mmm,AB3_tI8_139_a_bd:H-Tl,4.0,AB3_tI8_139_a_bd:H-Tl +mp-1187619,Tl3H,-2.241481155,0.3786827162,0.3786827162,0.3786827162,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Tl,8.0,AB3_hP8_194_c_h:H-Tl +mp-971826,Tl3H,-2.2115658425,0.4085980287,0.4085980287,0.4085980287,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Tl,4.0,AB3_cF16_225_a_bc:H-Tl +mp-1184548,HPd,-4.3693620975,-0.08305817,0.0,-0.0231672844,GGA,P6_3mc,AB_hP4_186_b_b:H-Pd,4.0,AB_hP4_186_b_b:H-Pd +mp-24289,HPd,-4.349217475,-0.0629135475,0.0201446225,-0.0030226619,GGA,Fm-3m,AB_cF8_225_a_b:H-Pd,2.0,AB_cF8_225_a_b:H-Pd +mp-1184656,HPd3,-4.2522797025,0.4808131662,0.5223422512,0.5223422512,GGA,I4/mmm,AB3_tI8_139_a_bd:H-Pd,4.0,AB3_tI8_139_a_bd:H-Pd +mp-983407,HPd3,-4.2460157587,0.48707711,0.5286061950000001,0.5286061950000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Pd,8.0,AB3_hP8_194_c_h:H-Pd +mp-1224413,H3Pd4,-4.4824046371,-0.0684467264,0.0027459907,0.0027459907,GGA,R-3m,A3B4_hR21_166_ac_2c:H-Pd,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:H-Pd, expected H5Pd4 to be H3Pd4" +mp-1216329,VFe4,-8.63726492,-0.044466738,0.058178644,0.058178644,GGA,Fmmm,A4B_oF20_69_2g_a:Fe-V,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Fe-V, expected VFe6 to be VFe4" +mp-1216347,VFe,-8.880568915,-0.103605275,0.0461165319,0.0461165319,GGA,Cmmm,AB_oC4_65_a_c:Fe-V,2.0,AB_oC4_65_a_c:Fe-V +mp-1335,VFe,-8.90510454,-0.1281409,0.0215809069,0.0215809069,GGA,Pm-3m,AB_cP2_221_a_b:Fe-V,2.0,AB_cP2_221_a_b:Fe-V +mp-865385,V3Re,-10.1903725125,-0.2663111638,0.0,-0.134129465,GGA,Fm-3m,AB3_cF16_225_a_bc:Re-V,4.0,AB3_cF16_225_a_bc:Re-V +mp-1093786,V2FeRe,-5.8955359575,3.8750541762,4.0947146058,4.0947146058,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Re-V,4.0,ABC2_oI8_71_a_b_e:Fe-Re-V +mp-1079399,V3Fe,-9.1015717412,-0.1711368863,0.0,-0.1070664363,GGA,Pm-3n,AB3_cP8_223_a_c:Fe-V,8.0,AB3_cP8_223_a_c:Fe-V +mp-1187697,V3Fe,-9.0703309775,-0.1398961225,0.0312407637,-0.0758256725,GGA,Fm-3m,AB3_cF16_225_a_bc:Fe-V,4.0,AB3_cF16_225_a_bc:Fe-V +mp-1216229,VRe,-11.028580025,-0.2643633975,0.0,-0.0868226217,GGA,Cmmm,AB_oC4_65_a_c:Re-V,2.0,AB_oC4_65_a_c:Re-V +mp-1216352,VFe3,-8.6790262775,-0.0555338525,0.072772875,0.0085365975,GGA,Cmmm,A3B_oC8_65_bk_c:Fe-V,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Fe-V, expected VFe5 to be VFe3" +mp-866134,VFe3,-8.7517991525,-0.1283067275,0.0,-0.0642362775,GGA,Fm-3m,A3B_cF16_225_ac_b:Fe-V,4.0,A3B_cF16_225_ac_b:Fe-V +mp-2843,SnF2,-5.178846405,-2.5680031417,0.0016553742,-0.08505932,GGA,C2/c,A2B_mC48_15_4f_2f:F-Sn,24.0,A2B_mC48_15_4f_2f:F-Sn +mp-7456,SnF2,-5.1802468558,-2.5694035925,0.0002549233,-0.0864597708,GGA,P2_12_12_1,A2B_oP12_19_2a_a:F-Sn,12.0,A2B_oP12_19_2a_a:F-Sn +mp-7457,SnF2,-5.1805017792,-2.5696585158,0.0,-0.0867146942,GGA,P4_12_12,A2B_tP12_92_b_a:F-Sn,12.0,A2B_tP12_92_b_a:F-Sn +mp-1210917,LuSnF7,-6.0030229989,-3.5684813158,0.0,-0.08390302,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Lu-Sn,36.0,A7BC_mP36_14_7e_e_e:F-Lu-Sn +mp-1786164,SnF4,-4.909166883,-2.578069338,0.131445207,-0.3743703015,GGA,C2/c,A4B_mC20_15_2f_c:F-Sn,10.0,"Invalid WP multiplicities - A4B_mC20_15_6f_a:F-Sn, expected SnF12 to be SnF4" +mp-1401938,SnF4,-4.90538649,-2.574288945,0.1352256,-0.3705899085,GGA,C2/c,A4B_mC20_15_2f_c:F-Sn,10.0,"Invalid WP multiplicities - A4B_mC20_15_6f_a:F-Sn, expected SnF12 to be SnF4" +mp-2706,SnF4,-5.04061209,-2.709514545,0.0,-0.5058155085,GGA,I4/mmm,A4B_tI10_139_ce_a:F-Sn,5.0,"Invalid WP multiplicities - A4B_tI10_139_c2e_a:F-Sn, expected SnF6 to be SnF4" +mp-1185487,LuF3,-6.626327605,-4.0624807494,0.390927235,-4.0624807494,GGA,Fm-3m,A3B_cF16_225_ac_b:F-Lu,4.0,A3B_cF16_225_ac_b:F-Lu +mp-1207204,LuF3,-7.01725484,-4.4534079844,0.0,-4.4534079844,GGA,P-3m1,A3B_hP4_164_ad_b:F-Lu,4.0,A3B_hP4_164_ad_b:F-Lu +mp-1210818,LuF3,-6.966987435,-4.4031405794000005,0.050267405,-4.4031405794000005,GGA,P-3c1,A3B_hP24_165_adg_f:F-Lu,24.0,A3B_hP24_165_adg_f:F-Lu +mp-1443,Sn3F8,-5.1923521059,-2.7086659873,0.0,-0.004487268,GGA,P2_1/c,A8B3_mP22_14_4e_ae:F-Sn,22.0,"Invalid WP multiplicities - A8B3_mP22_14_5e_ae:F-Sn, expected Sn3F10 to be Sn3F8" +mp-1375229,SnF3,-5.093011495,-2.6570093056,0.09761449,0.0519218559,GGA,P-1,A3B_aP16_2_6i_2i:F-Sn,16.0,A3B_aP16_2_6i_2i:F-Sn +mp-8289,SnF3,-5.190625985,-2.7546237956,0.0,-0.0456926341,GGA,Fm-3m,A3B_cF32_225_e_ab:F-Sn,8.0,A3B_cF32_225_e_ab:F-Sn +mp-1182215,BeO2,-5.9022269442,-1.357963515,0.7110311179000001,0.7110311179000001,GGA,P2_1,AB2_mP12_4_2a_4a:Be-O,12.0,AB2_mP12_4_2a_4a:Be-O +mp-1214291,BeO2,-5.9768380667,-1.4325746375,0.6364199954,0.6364199954,GGA,P2_1,AB2_mP36_4_6a_12a:Be-O,36.0,AB2_mP36_4_6a_12a:Be-O +mp-1182269,BeO2,-6.1258815608,-1.5816181317,0.4873765012,0.4873765012,GGA,P2_12_12_1,AB2_oP12_19_a_2a:Be-O,12.0,AB2_oP12_19_a_2a:Be-O +mp-1214161,BeO2,-5.9708750792,-1.42661165,0.6423829829000001,0.6423829829000001,GGA,P2_12_12_1,AB2_oP12_19_a_2a:Be-O,12.0,AB2_oP12_19_a_2a:Be-O +mp-2616,NpO2,-11.21577141,-3.6020523754,0.0,-0.2887492767,GGA,Fm-3m,AB2_cF12_225_a_c:Np-O,3.0,AB2_cF12_225_a_c:Np-O +mp-30442,NpBe13,-4.4611753493,-0.0640219974,0.0,-0.0640219974,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Np,28.0,A13B_cF112_226_bi_a:Be-Np +mp-973930,NpBeO3,-9.27566219,-2.970210454,0.432417751,0.432417751,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Np-O,5.0,ABC3_cP5_221_b_a_c:Be-Np-O +mp-554714,Np2O5,-10.6821439586,-3.4494292559,0.0,-0.3619557912,GGA,C2/c,A2B5_mC28_15_ae_e2f:Np-O,14.0,"Invalid WP multiplicities - A2B5_mC28_15_c2e_2e3f:Np-O, expected Np3O8 to be Np2O5" +mp-1244907,BeO,-7.189103601,-2.8460528129,0.2574391365,-1.6598392141,GGA,P1,AB_aP100_1_50a_50a:Be-O,100.0,AB_aP100_1_50a_50a:Be-O +mp-1244919,BeO,-7.1822909992,-2.8392402111,0.2642517383,-1.6530266123,GGA,P1,AB_aP100_1_50a_50a:Be-O,100.0,AB_aP100_1_50a_50a:Be-O +mp-1244963,BeO,-7.1574248981,-2.81437411,0.2891178394,-1.6281605112,GGA,P1,AB_aP100_1_50a_50a:Be-O,100.0,AB_aP100_1_50a_50a:Be-O +mp-1245060,BeO,-7.1196087312,-2.7765579431000003,0.3269340063,-1.5903443443,GGA,P1,AB_aP100_1_50a_50a:Be-O,100.0,AB_aP100_1_50a_50a:Be-O +mp-1245079,BeO,-7.1359898848,-2.7929390967,0.3105528527,-1.6067254979,GGA,P1,AB_aP100_1_50a_50a:Be-O,100.0,AB_aP100_1_50a_50a:Be-O +mp-7599,BeO,-7.4348051088,-3.0917543206,0.0117376287,-1.9055407219,GGA,P4_2/mnm,AB_tP8_136_f_g:Be-O,8.0,AB_tP8_136_f_g:Be-O +mp-2542,BeO,-7.4465427375,-3.1034919494,0.0,-1.9172783506,GGA,P6_3mc,AB_hP4_186_b_b:Be-O,4.0,AB_hP4_186_b_b:Be-O +mp-1778,BeO,-7.43996461,-3.0969138219,0.0065781275,-1.9107002231,GGA,F-43m,AB_cF8_216_a_c:Be-O,2.0,AB_cF8_216_a_c:Be-O +mp-1794,BeO,-6.96506801,-2.6220172219,0.4814747275,-1.4358036231,GGA,Fm-3m,AB_cF8_225_a_b:Be-O,2.0,AB_cF8_225_a_b:Be-O +mp-977325,Np3Be,-10.4045055225,0.2411824547,0.2584191463,0.2584191463,GGA,Fm-3m,AB3_cF16_225_a_bc:Be-Np,4.0,AB3_cF16_225_a_bc:Be-Np +mp-1186221,Np2O3,-11.269851578,-3.1227264788,0.1191206591,0.1191206591,GGA,R-3c,A2B3_hR30_167_c_e:Np-O,10.0,A2B3_hR30_167_c_e:Np-O +mp-6927,NpO,-11.49218546,-2.5449512638,0.1565880178,0.1565880178,GGA,Fm-3m,AB_cF8_225_a_b:Np-O,2.0,AB_cF8_225_a_b:Np-O +mp-1187056,Sn3N,-4.170178855,0.9211237675,0.9211237675,0.9211237675,GGA,P6_3/mmc,AB3_hP8_194_c_h:N-Sn,8.0,AB3_hP8_194_c_h:N-Sn +mp-1421453,SnN,-5.860953445,0.312079945,0.312079945,0.312079945,GGA,Cm,AB_mC8_8_2a_2a:N-Sn,4.0,AB_mC8_8_2a_2a:N-Sn +mp-1206922,Ce3SnN,-7.078435412,-1.049368563,0.0,-0.0822435005,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ce-N-Sn,5.0,A3BC_cP5_221_c_b_a:Ce-N-Sn +mp-1245828,Ce3SnN,-4.746509804,1.282557045,2.331925608,2.2496821075,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ce-N-Sn,5.0,A3BC_cP5_221_c_a_b:Ce-N-Sn +mp-2493,CeN,-8.813777775,-1.678985735,0.0,-0.7869246054,GGA,Fm-3m,AB_cF8_225_a_b:Ce-N,2.0,AB_cF8_225_a_b:Ce-N +mp-1226927,CeN2,-8.7247745078,-1.1894148394,0.0,-0.0700910161,GGA,Cm,AB2_mC18_8_3a_6a:Ce-N,9.0,AB2_mC18_8_3a_6a:Ce-N +mp-16031,Sn3N4,-6.4690089364,0.0130903871,0.0130903871,0.0130903871,GGA,Fd-3m,A4B3_cF56_227_e_ad:N-Sn,14.0,A4B3_cF56_227_e_ad:N-Sn +mp-713,KAs,-3.338292345,-0.453533669,0.0,-0.0332799402,GGA,P2_12_12_1,AB_oP16_19_2a_2a:As-K,16.0,AB_oP16_19_2a_2a:As-K +mp-728466,KAs,-3.2275041225,-0.3427454465,0.1107882225,0.0775082823,GGA,Pmma,AB_oP4_51_e_f:As-K,4.0,AB_oP4_51_e_f:As-K +mp-1078831,KAs,-2.4899025438,0.3948561323,0.8483898013000001,0.8151098611,GGA,Pbcm,AB_oP8_57_d_c:As-K,8.0,AB_oP8_57_d_c:As-K +mp-1180861,K2Pd,-2.3349568767,0.131936358,0.131936358,0.131936358,GGA,P4/mmm,A2B_tP3_123_e_a:K-Pd,3.0,A2B_tP3_123_e_a:K-Pd +mp-14018,K3As,-2.3193812025,-0.321802391,0.0,-0.0759050851,GGA,P6_3/mmc,AB3_hP8_194_c_bf:As-K,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:As-K, expected K5As to be K3As" +mp-8147,K2As2Pd,-3.861036971,-0.5172536682000001,0.0,-0.0972328152,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-K-Pd,10.0,A2B2C_oC20_63_g_2c_a:As-K-Pd +mp-1064508,K3Pd,-1.92505574,0.2027139228,0.2027139228,0.2027139228,GGA,Pm-3m,A3B_cP4_221_c_a:K-Pd,4.0,A3B_cP4_221_c_a:K-Pd +mp-680329,K3As7,-3.9539269622,-0.3594243946,0.0,-0.0342854463,GGA,Pbca,A7B3_oP160_61_14c_6c:As-K,160.0,"Invalid WP multiplicities - A7B3_oP160_61_106c_41c:As-K, expected K41As106 to be K3As7" +mp-684799,K5As4,-3.0709098967,-0.3833023017,0.0538484644,0.04095775,GGA,P-1,A4B5_aP9_2_2i_a2i:As-K,9.0,"Invalid WP multiplicities - A4B5_aP9_2_3i_a4i:As-K, expected K3As2 to be K5As4" +mp-1223503,K5As4,-3.1247583611,-0.4371507661,0.0,-0.0128907144,GGA,Cm,A4B5_mC18_8_4a_5a:As-K,9.0,A4B5_mC18_8_4a_5a:As-K +mp-541000,K3As11,-4.1687911605,-0.2701126394,0.0,-0.013380929,GGA,Pbcn,A11B3_oP56_60_c5d_cd:As-K,56.0,A11B3_oP56_60_c5d_cd:As-K +mp-7927,Nb4N5,-10.2724941333,-1.1516391572,0.0289003348,0.0289003348,GGA,I4/m,A5B4_tI18_87_ah_h:N-Nb,9.0,A5B4_tI18_87_ah_h:N-Nb +mp-685079,Nb32N27,-10.2725687773,-0.9788887052,0.2051516331,0.2051516331,GGA,R-3m,A27B32_hR177_166_a13c_16c:N-Nb,59.0,"Invalid WP multiplicities - A27B32_hR177_166_a24c_30c:N-Nb, expected Nb60N49 to be Nb32N27" +mp-685209,Sc39N34,-9.2202156701,-1.9543646764,0.0,-0.0044926449,GGA,P-3m1,A34B39_hP73_164_6c11d_a6c13d:N-Sc,73.0,"Invalid WP multiplicities - A34B39_hP73_164_12c20d_a12c25d:N-Sc, expected Sc75N64 to be Sc39N34" +mp-999355,NbN,-10.0839582875,-0.865058305,0.3831426775,0.2969828829,GGA,P6_3mc,AB_hP4_186_b_b:N-Nb,4.0,AB_hP4_186_b_b:N-Nb +mp-2634,NbN,-10.467100965,-1.2482009825,0.0,-0.0861597946,GGA,P-6m2,AB_hP2_187_a_d:N-Nb,2.0,AB_hP2_187_a_d:N-Nb +mp-2701,NbN,-10.4268780225,-1.20797804,0.0402229425,-0.0459368521,GGA,P6_3/mmc,AB_hP4_194_a_c:N-Nb,4.0,AB_hP4_194_a_c:N-Nb +mp-15799,NbN,-10.2612670887,-1.0423671062,0.2058338763,0.1196740816,GGA,P6_3/mmc,AB_hP8_194_ac_f:N-Nb,8.0,AB_hP8_194_ac_f:N-Nb +mp-999357,NbN,-10.31103968,-1.0921396975,0.156061285,0.0699014904,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Nb,4.0,AB_hP4_194_c_a:N-Nb +mp-1018142,NbN,-10.046863475,-0.8279634925,0.42023749,0.3340776954,GGA,F-43m,AB_cF8_216_a_c:N-Nb,2.0,AB_cF8_216_a_c:N-Nb +mp-1009471,NbN,-9.82672935,-0.6078293675,0.6403716150000001,0.5542118204,GGA,Pm-3m,AB_cP2_221_a_b:N-Nb,2.0,AB_cP2_221_a_b:N-Nb +mp-1580,NbN,-10.2627422,-1.0438422175,0.204358765,0.1181989704,GGA,Fm-3m,AB_cF8_225_a_b:N-Nb,2.0,AB_cF8_225_a_b:N-Nb +mp-1220496,Nb8N5,-10.3924699469,-0.9699380281,0.1035485846,0.1035485846,GGA,Cmmm,A5B8_oC26_65_am_ghn:N-Nb,13.0,"Invalid WP multiplicities - A5B8_oC26_65_am_g2hn:N-Nb, expected Nb2N to be Nb8N5" +mp-1220479,Nb8N5,-10.3768948292,-0.9543629104,0.1191237023,0.1191237023,GGA,P4/mmm,A5B8_tP13_123_ai_efgh:N-Nb,13.0,"Invalid WP multiplicities - A5B8_tP13_123_ai_2efg2h:N-Nb, expected Nb12N5 to be Nb8N5" +mp-1173647,Nb20N17,-10.3519280168,-1.0614816782,0.1253331743,0.1253331743,GGA,C2/m,A17B20_mC74_12_ah3i2j_f5i2j:N-Nb,37.0,"Invalid WP multiplicities - A17B20_mC74_12_a2h6i6j_2f9i6j:N-Nb, expected Nb46N41 to be Nb20N17" +mp-1009750,ScN,-9.124394465,-1.78991245,0.303332525,0.0391724394,GGA,F-43m,AB_cF8_216_a_c:N-Sc,2.0,AB_cF8_216_a_c:N-Sc +mp-12981,ScN,-8.39505867,-1.060576655,1.03266832,0.7685082344,GGA,Pm-3m,AB_cP2_221_a_b:N-Sc,2.0,AB_cP2_221_a_b:N-Sc +mp-2857,ScN,-9.42772699,-2.093244975,0.0,-0.2641600856,GGA,Fm-3m,AB_cF8_225_a_b:N-Sc,2.0,AB_cF8_225_a_b:N-Sc +mp-1220830,Nb12N11,-10.3101937213,-1.0529283015,0.1623554809,0.1623554809,GGA,C2/m,A11B12_mC46_12_ah2ij_f3ij:N-Nb,23.0,"Invalid WP multiplicities - A11B12_mC46_12_a2h3i2j_2e6i2j:N-Nb, expected Nb24N19 to be Nb12N11" +mp-1219256,ScNbN,-9.37062034,-1.1138639833,0.2816326667,0.2816326667,GGA,P-3m1,ABC_hP6_164_d_d_ab:N-Nb-Sc,6.0,ABC_hP6_164_d_d_ab:N-Nb-Sc +mp-754556,Nb3N5,-9.9725958788,-0.9742971606,0.0217830357,0.0217830357,GGA,Cmcm,A5B3_oC32_63_c2f_cf:N-Nb,16.0,"Invalid WP multiplicities - A5B3_oC32_63_2c6f_c2f:N-Nb, expected Nb5N14 to be Nb3N5" +mp-685050,Nb16N9,-10.3662998044,-0.9003264058,0.135887808,0.135887808,GGA,Immm,A9B16_oI50_71_ao_ef2lm:N-Nb,25.0,"Invalid WP multiplicities - A9B16_oI50_71_ao_2e2f6l3m:N-Nb, expected Nb44N9 to be Nb16N9" +mp-1079585,Nb2N,-10.5088707833,-0.9958357817,0.0,-0.155222824,GGA,P-31m,AB2_hP9_162_ad_k:N-Nb,9.0,AB2_hP9_162_ad_k:N-Nb +mp-1220726,Nb2N,-10.3915398533,-0.8785048517,0.11733093,-0.037891894,GGA,P-3m1,AB2_hP3_164_a_d:N-Nb,3.0,AB2_hP3_164_a_d:N-Nb +mp-7234,Nb5N6,-10.3460512759,-1.207369935,0.0,-0.0381740823,GGA,P6_3/mcm,A6B5_hP22_193_k_dg:N-Nb,22.0,A6B5_hP22_193_k_dg:N-Nb +mp-32913,Nb16N13,-10.3782612855,-1.0680780212,0.1018027266,0.1018027266,GGA,Immm,A13B16_oI58_71_abcgo_ef2ln:N-Nb,29.0,"Invalid WP multiplicities - A13B16_oI58_71_abc2g5o_2e2f6l3n:N-Nb, expected Nb44N47 to be Nb16N13" +mp-1188869,Nb2N3,-10.0835427325,-1.0411237615,0.0213617813,0.0213617813,GGA,Pnma,A3B2_oP20_62_3c_2c:N-Nb,20.0,A3B2_oP20_62_3c_2c:N-Nb +mp-1220519,Nb4N3,-9.28271377,0.0622440779,1.2022885457,1.2022885457,GGA,P4/mmm,A3B4_tP7_123_ag_i:N-Nb,7.0,"Invalid WP multiplicities - A3B4_tP7_123_a2g_i:N-Nb, expected Nb4N5 to be Nb4N3" +mp-569167,Nb4N3,-10.41560286,-1.0706450121,0.0693994557,0.0693994557,GGA,I4/mmm,A3B4_tI14_139_ad_ce:N-Nb,7.0,"Invalid WP multiplicities - A3B4_tI14_139_ad_2ce:N-Nb, expected Nb2N to be Nb4N3" +mp-1120827,Nb3N,-10.0141290544,-0.3540265431,0.3928502931,0.3928502931,GGA,Pc,AB3_mP16_7_2a_6a:N-Nb,16.0,AB3_mP16_7_2a_6a:N-Nb +mp-974613,NdP3,-5.5309461275,-0.2789323894,0.505285895,0.505285895,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-P,4.0,AB3_tI8_139_a_bd:Nd-P +mp-7332,NdP5,-5.840606825,-0.534830164,0.0,-0.0196218025,GGA,P2_1/m,AB5_mP12_11_e_e2f:Nd-P,12.0,AB5_mP12_11_e_e2f:Nd-P +mp-1205673,Nd(PPt)2,-6.514328077,-0.9669242598,0.0,-0.0202550454,GGA,I4/mmm,AB2C2_tI20_139_e_de_ce:Nd-P-Pt,10.0,AB2C2_tI20_139_e_de_ce:Nd-P-Pt +mp-1209849,NdP2,-6.2286675383,-1.0304167231,0.0031896817,0.0031896817,GGA,P2_1/c,AB2_mP12_14_e_2e:Nd-P,12.0,AB2_mP12_14_e_2e:Nd-P +mp-2823,NdP,-6.623107615,-1.5323826454,0.0,-0.7595701031000001,GGA,Fm-3m,AB_cF8_225_a_b:Nd-P,2.0,AB_cF8_225_a_b:Nd-P +mp-1094705,YSn,-5.81707234,-0.5790508558,0.1743147387,0.1743147387,GGA,Pm-3m,AB_cP2_221_a_b:Sn-Y,2.0,AB_cP2_221_a_b:Sn-Y +mp-1080522,YSn3,-4.9979599362,-0.3741632667,0.0834112913,0.0834112913,GGA,Amm2,A3B_oC16_38_3a3b_ab:Sn-Y,8.0,A3B_oC16_38_3a3b_ab:Sn-Y +mp-1094248,YSn3,-5.01572642,-0.3919297504,0.0656448075,0.0656448075,GGA,I4/mmm,A3B_tI8_139_ad_b:Sn-Y,4.0,A3B_tI8_139_ad_b:Sn-Y +mp-11571,YSn3,-5.0576156,-0.4338189304,0.0237556275,0.0237556275,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-Y,4.0,A3B_cP4_221_c_a:Sn-Y +mp-1094257,YSn3,-4.7994039175,-0.1756072479,0.28196731,0.28196731,GGA,Fm-3m,A3B_cF16_225_ac_b:Sn-Y,4.0,A3B_cF16_225_ac_b:Sn-Y +mp-1219733,PrYSn6,-4.8787258813,-0.4656248815,0.0169150275,0.0169150275,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Pr-Sn-Y,8.0,AB6C_tP8_123_a_cdi_b:Pr-Sn-Y +mp-13010,YSn2,-5.438637685,-0.6100994106000001,0.0,-0.072798183,GGA,Cmcm,A2B_oC12_63_2c_c:Sn-Y,6.0,A2B_oC12_63_2c_c:Sn-Y +mp-1199133,Y11Sn10,-6.0703512779,-0.7738321923,0.0,-0.0185306117,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Sn-Y,42.0,A10B11_tI84_139_dehim_eh2n:Sn-Y +mp-567412,Y5Sn3,-6.31518927,-0.7700553785,0.0,-0.1123506147,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sn-Y,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_4d4g:Sn-Y, expected Y20Sn3 to be Y5Sn3" +mp-1203494,Y5Sn4,-6.1540178297,-0.7795019423,0.0,-0.0068546328,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Sn-Y,36.0,A4B5_oP36_62_2cd_c2d:Sn-Y +mp-1187805,Y3Sn,-6.24659996,-0.3943536613,0.1190165911,0.1190165911,GGA,I4/mmm,AB3_tI8_139_a_bd:Sn-Y,4.0,AB3_tI8_139_a_bd:Sn-Y +mp-982243,Y3Sn,-6.2586439375000005,-0.4063976387,0.1069726136,0.1069726136,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-Y,8.0,AB3_hP8_194_c_h:Sn-Y +mp-1094256,Y3Sn,-6.0874162525,-0.2351699537,0.2782002986,0.2782002986,GGA,Fm-3m,AB3_cF16_225_a_bc:Sn-Y,4.0,AB3_cF16_225_a_bc:Sn-Y +mp-865518,YSnRh2,-7.07723061,-0.7760659329,0.0,-0.0504096293,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Y,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Y +mp-30864,Y2Sn5Rh3,-6.2186690475,-0.7112965363,0.0,-0.0370304584,GGA,Cmc2_1,A3B5C2_oC40_36_3a_5a_2a:Rh-Sn-Y,20.0,"Invalid WP multiplicities - A3B5C2_oC40_36_5a_7a_4a:Rh-Sn-Y, expected Y4Sn7Rh5 to be Y2Sn5Rh3" +mp-1078827,YSnRh,-6.8416419978,-0.894858385,0.0,-0.1227149378,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-Y,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-Y +mp-973508,KRb3,-0.9899442625,0.0230560286,0.0230560286,0.0230560286,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Rb,4.0,AB3_tI8_139_a_bd:K-Rb +mp-1185168,KRb3,-0.9896631662,0.0233371249,0.0233371249,0.0233371249,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Rb,8.0,AB3_hP8_194_c_h:K-Rb +mp-1185080,KRb3,-0.995530045,0.0174702461,0.0174702461,0.0174702461,GGA,Pm-3m,AB3_cP4_221_a_c:K-Rb,4.0,AB3_cP4_221_a_c:K-Rb +mp-1185107,KRb3,-0.99513927,0.0178610211,0.0178610211,0.0178610211,GGA,Fm-3m,AB3_cF16_225_a_bc:K-Rb,4.0,AB3_cF16_225_a_bc:K-Rb +mp-1096543,K2RbNa,-0.5778186175000001,0.5531456975,0.5531456975,0.5531456975,GGA,Immm,A2BC_oI8_71_e_a_b:K-Na-Rb,4.0,A2BC_oI8_71_e_a_b:K-Na-Rb +mp-1184919,K3Na,-1.1381040388,0.0253264949,0.0253264949,0.0253264949,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Na,8.0,A3B_hP8_194_h_c:K-Na +mp-1184844,K3Na,-1.136700305,0.0267302286,0.0267302286,0.0267302286,GGA,Pm-3m,A3B_cP4_221_c_a:K-Na,4.0,A3B_cP4_221_c_a:K-Na +mp-1184893,K3Na,-1.1355407225,0.0278898111,0.0278898111,0.0278898111,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Na,4.0,A3B_cF16_225_ac_b:K-Na +mp-1097334,KRbNa2,-0.6110387675,0.5729571341,0.5729571341,0.5729571341,GGA,Immm,AB2C_oI8_71_a_e_b:K-Na-Rb,4.0,AB2C_oI8_71_a_e_b:K-Na-Rb +mp-1185119,K3Rb,-1.0557835125,0.0221492159,0.0221492159,0.0221492159,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Rb,4.0,A3B_tI8_139_ad_b:K-Rb +mp-976115,K3Rb,-1.056256885,0.0216758434,0.0216758434,0.0216758434,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Rb,8.0,A3B_hP8_194_h_c:K-Rb +mp-1185090,K3Rb,-1.061541075,0.0163916534,0.0163916534,0.0163916534,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Rb,4.0,A3B_cF16_225_ac_b:K-Rb +mp-1096761,KRb2Na,-0.56000548,0.5384926164,0.5384926164,0.5384926164,GGA,Immm,ABC2_oI8_71_a_b_e:K-Na-Rb,4.0,ABC2_oI8_71_a_b_e:K-Na-Rb +mp-570786,KNa2,-1.241933405,0.0098831063,0.0098831063,0.0098831063,GGA,P6_3/mmc,AB2_hP12_194_f_ah:K-Na,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_2a2h:K-Na, expected KNa4 to be KNa2" +mp-642293,Y6Te2Pd,-6.409529085,-0.8244934987,0.0689804824,0.0689804824,GGA,Pnma,AB2C6_oP36_62_c_2c_6c:Pd-Te-Y,36.0,"Invalid WP multiplicities - AB2C6_oP36_62_c_7c_19c:Pd-Te-Y, expected Y19Te7Pd to be Y6Te2Pd" +mp-1102030,YTc2,-9.2393004117,-0.1767174106,0.0,-0.1767174106,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Tc-Y,12.0,A2B_hP12_194_ah_f:Tc-Y +mp-1095495,YZn2,-3.3382913967,-0.3429719522,0.0303184817,0.0303184817,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Y-Zn,12.0,AB2_hP12_194_f_ah:Y-Zn +mp-1072382,YZn2,-3.3463442567,-0.3510248122,0.0222656217,0.0222656217,GGA,Fd-3m,AB2_cF24_227_a_d:Y-Zn,6.0,AB2_cF24_227_a_d:Y-Zn +mp-30884,YZn3,-2.9379717175,-0.3765462317,0.0,-0.0252328331,GGA,Pnma,AB3_oP16_62_c_3c:Y-Zn,16.0,AB3_oP16_62_c_3c:Y-Zn +mp-1192854,Y6Zn23,-2.6623699148,-0.3253723386,0.01696659,0.01696659,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Y-Zn,29.0,A6B23_cF116_225_e_ad2f:Y-Zn +mp-30885,YZn5,-2.4232090933,-0.2956775661,0.0098290348,0.0098290348,GGA,P6/mmm,AB5_hP6_191_a_cg:Y-Zn,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_c2g:Y-Zn, expected YZn8 to be YZn5" +mp-1202791,YZn5,-2.4125240678,-0.2849925406,0.0205140603,0.0205140603,GGA,P6_3/mmc,AB5_hP36_194_h_afghk:Y-Zn,36.0,AB5_hP36_194_h_afghk:Y-Zn +mp-2516,YZn,-4.2298862,-0.3667788383,0.0,-0.1035102292,GGA,Pm-3m,AB_cP2_221_a_b:Y-Zn,2.0,AB_cP2_221_a_b:Y-Zn +mp-179,YZn,-3.9512618,-0.0881544383,0.2786244,0.1751141708,GGA,Fm-3m,AB_cF8_225_a_b:Y-Zn,2.0,AB_cF8_225_a_b:Y-Zn +mp-30886,YZn12,-1.8460902469,-0.1858291367,0.0,-0.0036565246,GGA,I4/mmm,AB12_tI26_139_a_fij:Y-Zn,13.0,"Invalid WP multiplicities - AB12_tI26_139_a_fi2j:Y-Zn, expected YZn16 to be YZn12" +mp-1189228,Y2Zn3,-3.182909138,0.1595254733,0.530211269,0.530211269,GGA,P6_3/mmc,A2B3_hP20_194_ef_gh:Y-Zn,20.0,A2B3_hP20_194_ef_gh:Y-Zn +mp-17639,Y2Zn17,-2.0571090268,-0.2492888375,0.0,-0.0287707232,GGA,R-3m,A2B17_hR57_166_c_cdfh:Y-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:Y-Zn, expected Y2Zn23 to be Y2Zn17" +mp-1200992,Y2Zn17,-2.0535631089,-0.2457429196,0.0035459179,-0.0252248053,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Y-Zn,38.0,A2B17_hP38_194_bc_fgjk:Y-Zn +mp-1103536,Y3Zn11,-2.7245749821,-0.34910405,0.0,-0.0039589935,GGA,Immm,A3B11_oI28_71_ag_bf2n:Y-Zn,14.0,A3B11_oI28_71_ag_bf2n:Y-Zn +mp-1096145,Y2ZnTc,-3.75327677,2.3850544254,2.6347128735,2.6347128735,GGA,Immm,AB2C_oI8_71_a_e_b:Tc-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Tc-Y-Zn +mp-6996,SmB6,-6.8542762043,-0.4549995243,0.0,-0.0366584331,GGA,Pm-3m,A6B_cP7_221_e_b:B-Sm,7.0,A6B_cP7_221_e_b:B-Sm +mp-8546,SmB4,-6.8709244615,-0.5836938178000001,0.0,-0.0888187789,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Sm,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Sm, expected SmB6 to be SmB4" +mp-570421,Sm2B5,-6.6738499,-0.5546883108,0.0,-0.0335331163,GGA,P2_1/c,A5B2_mP28_14_5e_2e:B-Sm,28.0,"Invalid WP multiplicities - A5B2_mP28_14_14e_4e:B-Sm, expected Sm2B7 to be Sm2B5" +mp-3467,SmB2Ru3,-8.08607379,-0.4359775739,0.0026380233,0.0026380233,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Sm,6.0,A2B3C_hP6_191_c_g_a:B-Ru-Sm +mp-1004525,SmB12,-6.7561100515,-0.2275494835,0.0174502604,0.0174502604,GGA,Fm-3m,A12B_cF52_225_h_b:B-Sm,13.0,A12B_cF52_225_h_b:B-Sm +mp-1199012,Sm(BRu)4,-8.0877196236,-0.472857026,0.0,-0.0576027366,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Sm,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Sm +mp-978771,Sm(BRu)2,-7.851573668,-0.5263387167,0.0,-0.0708055137,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ru-Sm,10.0,A2B2C_oF40_70_e_f_a:B-Ru-Sm +mp-10141,SmB2,-6.4157337,-0.3899438078,0.1277652823,0.1277652823,GGA,P6/mmm,A2B_hP3_191_c_b:B-Sm,3.0,A2B_hP3_191_c_b:B-Sm +mp-505489,Sc7BCl12,-5.8671250935,-2.2076693222,0.0,-0.0131425002,GGA,R-3,AB12C7_hR60_148_a_2f_bf:B-Cl-Sc,20.0,AB12C7_hR60_148_a_2f_bf:B-Cl-Sc +mp-23316,BCl2,-4.616860205,-1.1580385081,0.1162949006,0.1162949006,GGA,Pbca,AB2_oP24_61_c_2c:B-Cl,24.0,AB2_oP24_61_c_2c:B-Cl +mp-29452,Sc4BCl6,-6.0125649064,-2.0943387108,0.0,-0.0301730842,GGA,Pbam,AB6C4_oP22_55_a_g2h_gh:B-Cl-Sc,22.0,"Invalid WP multiplicities - AB6C4_oP22_55_a_g3h_gh:B-Cl-Sc, expected Sc4BCl8 to be Sc4BCl6" +mp-23184,BCl3,-4.4898755225,-1.4336250848,0.0,-0.5650962037,GGA,P6_3/m,AB3_hP8_176_c_h:B-Cl,8.0,AB3_hP8_176_c_h:B-Cl +mp-1247928,BCl,-4.5029738519,-0.2390096365,0.71674042,0.71674042,GGA,Cm,AB_mC72_8_6a6b_4a7b:B-Cl,36.0,"Invalid WP multiplicities - AB_mC72_8_6a12b_4a14b:B-Cl, expected B15Cl16 to be BCl" +mp-23256,BCl,-5.1202360727,-0.8562718572,0.0994781993,0.0994781993,GGA,P2_12_12_1,AB_oP64_19_8a_8a:B-Cl,64.0,AB_oP64_19_8a_8a:B-Cl +mp-567944,BCl,-4.9385902994,-0.674626084,0.2811239726,0.2811239726,GGA,P4_2/nmc,AB_tP16_137_g_g:B-Cl,16.0,AB_tP16_137_g_g:B-Cl +mp-1199460,BCl,-5.2083015087,-0.9443372933,0.0114127632,0.0114127632,GGA,Pa-3,AB_cP96_205_2d_2d:B-Cl,96.0,AB_cP96_205_2d_2d:B-Cl +mp-2252,ScB2,-7.40258911,-0.8388382278000001,0.0,-0.6863438281,GGA,P6/mmm,A2B_hP3_191_c_b:B-Sc,3.0,A2B_hP3_191_c_b:B-Sc +mp-568384,ScB2,-6.49494515,0.0688057322,0.90764396,0.2213001319,GGA,Fd-3m,A2B_cF24_227_c_b:B-Sc,6.0,A2B_cF24_227_c_b:B-Sc +mp-8772,ScB12,-6.8638515038,-0.2111460919,0.0,-0.0175680394,GGA,Fm-3m,A12B_cF52_225_h_b:B-Sc,13.0,A12B_cF52_225_h_b:B-Sc +mp-972540,SmYZn2,-3.7709098125,-0.3447736954,0.0034750999999999,0.0034750999999999,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sm-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Sm-Y-Zn +mp-979234,Sm3Y,-5.1350814437,0.0204759358,0.0204759358,0.0204759358,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sm-Y,8.0,A3B_hP8_194_h_c:Sm-Y +mp-972517,SmY3,-6.0061132725,0.0233865962,0.0233865962,0.0233865962,GGA,I4/mmm,AB3_tI8_139_a_bd:Sm-Y,4.0,AB3_tI8_139_a_bd:Sm-Y +mp-979292,SmY3,-6.017302735,0.0121971337,0.0121971337,0.0121971337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sm-Y,8.0,AB3_hP8_194_c_h:Sm-Y +mp-978823,SmY3,-6.006774945,0.0227249237,0.0227249237,0.0227249237,GGA,Pm-3m,AB3_cP4_221_a_c:Sm-Y,4.0,AB3_cP4_221_a_c:Sm-Y +mp-1103522,Ga5W2,-5.8070563486,0.0581923046,0.0581923046,0.0581923046,GGA,P4/mbm,A5B2_tP14_127_cj_g:Ga-W,14.0,A5B2_tP14_127_cj_g:Ga-W +mp-1097308,Ti2GaW,-4.510364245,3.4339383265,3.7360260875,3.7360260875,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ti-W,4.0,AB2C_oI8_71_a_e_b:Ga-Ti-W +mp-1216621,TiW,-10.446852145,-0.0200410217,0.0,-0.0200410217,GGA,Cmmm,AB_oC4_65_a_c:Ti-W,2.0,AB_oC4_65_a_c:Ti-W +mp-2030,RuS2,-6.7341975458,-0.8850967879,0.0,-0.8850967879,GGA,Pa-3,AB2_cP12_205_a_c:Ru-S,12.0,AB2_cP12_205_a_c:Ru-S +mp-1103434,SbRuS,-6.5309001933,-0.684282311,0.0,-0.0508319187,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ru-S-Sb,12.0,ABC_mP12_14_e_e_e:Ru-S-Sb +mp-1095641,Tb5S7,-6.7085433092,-2.3646283452,0.0,-0.0083299071,GGA,C2/m,A7B5_mC24_12_a3i_d2i:S-Tb,12.0,A7B5_mC24_12_a3i_c2i:S-Tb +mp-1610,TbS,-6.64362549,-2.2582175066,0.0,-0.2313932107,GGA,Fm-3m,AB_cF8_225_a_b:S-Tb,2.0,AB_cF8_225_a_b:S-Tb +mp-1187302,Tb3S,-4.908674005,-0.3987869633,0.73032179,0.73032179,GGA,Pm-3m,AB3_cP4_221_a_c:S-Tb,4.0,AB3_cP4_221_a_c:S-Tb +mp-1208299,TbSBr,-5.8068787342,-2.3655973019,0.0,-0.0158741544,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-S-Tb,12.0,ABC_mP12_14_e_e_e:Br-S-Tb +mp-1103226,TbS2,-6.3650602458,-2.0626383013,0.0,-0.0827094476,GGA,P2_1/c,A2B_mP12_14_2e_e:S-Tb,12.0,A2B_mP12_14_2e_e:S-Tb +mp-7135,TbS2,-6.3057249117,-2.0033029671,0.0593353342,-0.0233741134,GGA,P4/nmm,A2B_tP6_129_ac_c:S-Tb,6.0,A2B_tP6_129_ac_c:S-Tb +mp-10629,TbS2,-4.7113023983,-0.4088804538,1.6537578475,1.5710483999,GGA,Fd-3m,A2B_cF24_227_c_b:S-Tb,6.0,A2B_cF24_227_c_b:S-Tb +mp-974330,SBr3,-2.22443162,-0.0255479058,0.1514528463,0.1514528463,GGA,I4/mmm,A3B_tI8_139_ad_b:Br-S,4.0,A3B_tI8_139_ad_b:Br-S +mp-9323,Tb2S3,-6.7115309845,-2.3759146244,0.0,-0.0605493119,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Tb,20.0,A3B2_oP20_62_3c_2c:S-Tb +mp-1205297,Tb2S3,-6.706498444,-2.3708820839,0.0050325405,-0.0555167714,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Tb,20.0,A3B2_oP20_62_3c_2c:S-Tb +mp-673644,Tb2S3,-6.6880819465,-2.3524655864,0.023449038,-0.0371002739,GGA,I-42d,A3B2_tI80_122_3e_cde:S-Tb,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d6e:S-Tb, expected Tb5S8 to be Tb2S3" +mp-530036,Tb11S16,-6.68275072,-2.3434460915,0.0274524088,0.0274524088,GGA,P2_12_12,A16B11_oP54_18_8c_a5c:S-Tb,54.0,"Invalid WP multiplicities - A16B11_oP54_18_30c_2a18c:S-Tb, expected Tb19S30 to be Tb11S16" +mp-28099,SBr,-3.1987406025,-0.3540015041,0.0,-0.3369695669,GGA,Aea2,AB_oC16_41_b_b:Br-S,8.0,AB_oC16_41_b_b:Br-S +mp-974332,S3Br,-3.0495760775,0.4410184052,0.6180191572,0.6180191572,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-S,4.0,AB3_tI8_139_a_bd:Br-S +mp-1208306,TbS3,-4.5088380225,-0.2479090973,1.2990696286,1.2990696286,GGA,Cmmm,A3B_oC8_65_ce_b:S-Tb,4.0,A3B_oC8_65_ce_b:S-Tb +mp-539,Ga2S3,-4.657387149,-0.9642788199,0.0,-0.2416833386,GGA,Cc,A2B3_mC20_9_2a_3a:Ga-S,10.0,A2B3_mC20_9_2a_3a:Ga-S +mp-32616,Ga2S3,-4.656201674,-0.9630933449,0.001185475,-0.2404978636,GGA,Cc,A2B3_mC20_9_2a_3a:Ga-S,10.0,"Invalid WP multiplicities - A2B3_mC20_9_4a_5a:Ga-S, expected Ga4S5 to be Ga2S3" +mp-1224796,Ga2S3,-4.653541888,-0.9604335589,0.003845261,-0.2378380776,GGA,Imm2,A2B3_oI10_44_c_ac:Ga-S,5.0,A2B3_oI10_44_c_ac:Ga-S +mp-1224879,Ga2S3,-4.172636721,-0.4795283919,0.484750428,0.2430670894,GGA,P3m1,A2B3_hP10_156_3ab_3a3b:Ga-S,10.0,A2B3_hP10_156_3ab_3a3b:Ga-S +mp-9889,GaS,-4.4793834225,-0.8971104778000001,0.0061338738,-0.0935447946,GGA,R-3m,AB_hR12_166_c_c:Ga-S,4.0,AB_hR12_166_c_c:Ga-S +mp-2507,GaS,-4.4855172963,-0.9032443516,0.0,-0.0996786683,GGA,P6_3/mmc,AB_hP8_194_f_f:Ga-S,8.0,AB_hP8_194_f_f:Ga-S +mp-556742,GaS,-4.48523434,-0.9029613953,0.0002829563,-0.0993957121,GGA,P6_3/mmc,AB_hP8_194_e_f:Ga-S,8.0,AB_hP8_194_e_f:Ga-S +mp-1104569,Yb(GaS2)2,-4.867064325,-1.4182643546,0.0156824012,-0.0156312114,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-S-Yb,,A2B4C_oC28_66_l_kl_a:Ga-S-Yb +mp-561799,Yb(GaS2)2,-4.8827467262,-1.4339467559,0.0,-0.0313136127,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:Ga-S-Yb,,"Invalid WP multiplicities - A2B4C_oF224_70_10h_26h_2ab2e:Ga-S-Yb, expected Yb7(Ga5S13)8 to be Yb(GaS2)2" +mp-1212000,InC6,-5.9185185357000005,2.3848638479,2.3848638479,2.3848638479,GGA,Pm-3m,A6B_cP7_221_e_a:C-In,7.0,A6B_cP7_221_e_a:C-In +mp-1218000,Ta4C3,-11.2826490114,-0.5516337261,0.0330282271,0.0330282271,GGA,R3m,A3B4_hR21_160_3a_4a:C-Ta,7.0,A3B4_hR21_160_3a_4a:C-Ta +mp-1025192,Ta4C3,-11.1819640014,-0.4509487161,0.1337132371,0.1337132371,GGA,Pm-3m,A3B4_cP7_221_d_ac:C-Ta,7.0,A3B4_cP7_221_d_ac:C-Ta +mp-1064282,InC3,-4.221532305,3.3878877469,3.3878877469,3.3878877469,GGA,Pm-3m,A3B_cP4_221_c_a:C-In,4.0,A3B_cP4_221_c_a:C-In +mp-1218120,Ta3C2,-11.392409618,-0.586276843,0.002118072,0.002118072,GGA,P-3m1,A2B3_hP20_164_c3d_2c4d:C-Ta,20.0,"Invalid WP multiplicities - A2B3_hP20_164_2c5d_4c8d:C-Ta, expected Ta12C7 to be Ta3C2" +mp-1187218,Ta3C,-10.221161295,0.9793383006,1.42716717,1.42716717,GGA,P6_3/mmc,AB3_hP8_194_c_h:C-Ta,8.0,AB3_hP8_194_c_h:C-Ta +mp-1009817,TaC,-10.706082475,-0.1628609138,0.412468635,0.3257031221,GGA,P-6m2,AB_hP2_187_a_d:C-Ta,2.0,AB_hP2_187_a_d:C-Ta +mp-1009832,TaC,-10.600255575,-0.0570340138,0.518295535,0.4315300221,GGA,F-43m,AB_cF8_216_a_c:C-Ta,2.0,AB_cF8_216_a_c:C-Ta +mp-1009835,TaC,-10.08598666,0.4572349013,1.03256445,0.9457989371,GGA,Pm-3m,AB_cP2_221_a_b:C-Ta,2.0,AB_cP2_221_a_b:C-Ta +mp-1086,TaC,-11.11855111,-0.5753295488,0.0,-0.0867655129,GGA,Fm-3m,AB_cF8_225_a_b:C-Ta,2.0,AB_cF8_225_a_b:C-Ta +mp-22144,Ta2InC,-9.3003425375,-0.3763664169,0.0714624525,0.0714624525,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-Ta,8.0,ABC2_hP8_194_a_c_f:C-In-Ta +mp-1184819,InC,-4.5343902775,1.4557843337,1.4557843337,1.4557843337,GGA,P6_3mc,AB_hP4_186_b_b:C-In,4.0,AB_hP4_186_b_b:C-In +mp-7088,Ta2C,-11.5785120767,-0.5971051592000001,0.0,-0.1085411233,GGA,P-3m1,AB2_hP3_164_a_d:C-Ta,3.0,AB2_hP3_164_a_d:C-Ta +mp-1217774,Ta2C,-9.2559141,1.7254928175000002,2.3225979767,2.2140568533,GGA,P6/mmm,AB2_hP3_191_a_c:C-Ta,3.0,AB2_oC6_65_a_g:C-Ta +mp-760747,Ti11O18,-9.4151197503,-3.3499194405,0.0176230169,0.0176230169,GGA,P1,A18B11_aP29_1_18a_11a:O-Ti,29.0,A18B11_aP29_1_18a_11a:O-Ti +mp-565700,Ti8O15,-9.4184561009,-3.4460966747,0.0140424191,0.0140424191,GGA,P-1,A15B8_aP46_2_15i_8i:O-Ti,46.0,"Invalid WP multiplicities - A15B8_aP46_2_30i_15i:O-Ti, expected TiO2 to be Ti8O15" +mp-556724,Ti7O13,-9.4206686553,-3.4418987871,0.0118882332,0.0118882332,GGA,P-1,A13B7_aP40_2_13i_ac6i:O-Ti,40.0,"Invalid WP multiplicities - A13B7_aP40_2_26i_ac11i:O-Ti, expected Ti6O13 to be Ti7O13" +mp-684733,Ti10O11,-9.2076627,-2.8567819386,0.1460034838,0.1460034838,GGA,P-1,A11B10_aP42_2_11i_ab9i:O-Ti,42.0,"Invalid WP multiplicities - A11B10_aP42_2_20i_ab18i:O-Ti, expected Ti19O20 to be Ti10O11" +mp-10734,Ti4O5,-9.34903462,-3.0917666619,0.0366094222,0.0366094222,GGA,I4/m,A5B4_tI18_87_ah_h:O-Ti,9.0,A5B4_tI18_87_ah_h:O-Ti +mp-752989,Ti8O13,-9.4242730238,-3.3542306724,0.0082848448,0.0082848448,GGA,R-3,A13B8_hR63_148_a2f_cf:O-Ti,21.0,"Invalid WP multiplicities - A13B8_hR63_148_a9f_2c3f:O-Ti, expected Ti2O5 to be Ti8O13" +mp-759920,Ti5O8,-9.4203512769,-3.3395074482,0.0117941254,0.0117941254,GGA,P1,A8B5_aP39_1_24a_15a:O-Ti,39.0,A8B5_aP39_1_24a_15a:O-Ti +mp-1217135,Ti4O3,-9.0672691129,-2.4355499414,0.0990684871,0.0990684871,GGA,I4/mmm,A3B4_tI14_139_ad_ce:O-Ti,7.0,"Invalid WP multiplicities - A3B4_tI14_139_a2d_2c2e:O-Ti, expected Ti8O5 to be Ti4O3" +mp-755875,Ti3O4,-9.3438781829,-3.1334166264,0.0577547886,0.0577547886,GGA,Cmmm,A4B3_oC14_65_gj_af:O-Ti,7.0,"Invalid WP multiplicities - A4B3_oC14_65_2g2j_af:O-Ti, expected Ti3O8 to be Ti3O4" +mp-1217157,Ti3O4,-9.3750103986,-3.1645488421,0.0266225729,0.0266225729,GGA,I4/mmm,A4B3_tI14_139_ce_ad:O-Ti,7.0,"Invalid WP multiplicities - A4B3_tI14_139_2c2e_a2d:O-Ti, expected Ti5O8 to be Ti3O4" +mp-760075,Ti19O30,-9.421545328,-3.3314430901,0.0102465318,0.0102465318,GGA,P1,A30B19_aP49_1_30a_19a:O-Ti,49.0,A30B19_aP49_1_30a_19a:O-Ti +mp-1244956,Ti3O,-8.3777277574,-1.2194365671,0.3507954689,0.3269395657,GGA,P1,AB3_aP100_1_25a_75a:O-Ti,100.0,AB3_aP100_1_25a_75a:O-Ti +mp-1245140,Ti3O,-8.4459288134,-1.2876376231,0.2825944128,0.2587385097,GGA,P1,AB3_aP100_1_25a_75a:O-Ti,100.0,AB3_aP100_1_25a_75a:O-Ti +mp-1245176,Ti3O,-8.4374960302,-1.2792048399,0.291027196,0.2671712929,GGA,P1,AB3_aP100_1_25a_75a:O-Ti,100.0,AB3_aP100_1_25a_75a:O-Ti +mp-557812,Ti3O,-8.7231597758,-1.5648685855000002,0.0053634504,-0.0184924527,GGA,P312,AB3_hP24_149_acgi_3l:O-Ti,24.0,"Invalid WP multiplicities - AB3_hP24_149_ac2gi_12l:O-Ti, expected Ti9O to be Ti3O" +mp-2591,Ti3O,-8.7285232262,-1.5702320359000002,0.0,-0.0238559031,GGA,P-31c,AB3_hP16_163_ac_i:O-Ti,16.0,AB3_hP16_163_ac_i:O-Ti +mp-554032,Ti3O,-8.6205207287,-1.4622295384,0.1080024975,0.0841465944,GGA,P6_3/mcm,AB3_hP8_193_b_g:O-Ti,8.0,AB3_hP8_193_b_g:O-Ti +mp-12205,Ti4O7,-9.428309155,-3.4093283327,0.0046138632,0.0046138632,GGA,P-1,A7B4_aP22_2_7i_4i:O-Ti,22.0,A7B4_aP22_2_7i_4i:O-Ti +mp-778663,Ti4O7,-9.3424066307,-3.3234258084,0.0905163875,0.0905163875,GGA,P-1,A7B4_aP44_2_14i_8i:O-Ti,44.0,"Invalid WP multiplicities - A7B4_aP44_2_27i_15i:O-Ti, expected Ti5O9 to be Ti4O7" +mp-11107,Ac2O3,-8.354914896,-3.7384316662,0.0,-1.3975548897,GGA,P-3m1,A2B3_hP5_164_d_ad:Ac-O,5.0,A2B3_hP5_164_d_ad:Ac-O +mp-32544,Ti9O8,-9.0999727003,-2.5921528274,0.1624503056,0.1624503056,GGA,P-1,A8B9_aP34_2_ad7i_9i:O-Ti,34.0,"Invalid WP multiplicities - A8B9_aP34_2_ad14i_17i:O-Ti, expected Ti17O15 to be Ti9O8" +mp-30524,Ti6O11,-9.423236665,-3.435793846,0.0093991926,0.0093991926,GGA,P-1,A11B6_aP34_2_11i_6i:O-Ti,34.0,"Invalid WP multiplicities - A11B6_aP34_2_13i_6i:O-Ti, expected Ti6O13 to be Ti6O11" +mp-559964,Ti6O11,-9.4265661674,-3.4391233483,0.0060696903,0.0060696903,GGA,C2/m,A11B6_mC68_12_11i_6i:O-Ti,34.0,"Invalid WP multiplicities - A11B6_mC68_12_20i_9i:O-Ti, expected Ti9O20 to be Ti6O11" +mp-1217105,Ti3O8,-8.2444584655,-2.4935506709,0.3721198975,0.3721198975,GGA,P-4m2,A8B3_tP11_115_ef2g_ag:O-Ti,11.0,"Invalid WP multiplicities - A8B3_tP11_115_2ef4g_ag:O-Ti, expected Ti3O14 to be Ti3O8" +mp-753593,Ti10O13,-9.3671335622,-3.1383564573,0.0282428717,0.0282428717,GGA,C2/m,A13B10_mC46_12_a6i_5i:O-Ti,23.0,"Invalid WP multiplicities - A13B10_mC46_12_a12i_8i:O-Ti, expected Ti16O25 to be Ti10O13" +mp-1105338,Ti3O7,-8.717968712,-2.8866390091,0.2655986161,0.2655986161,GGA,C2/m,A7B3_mC40_12_7i_3i:O-Ti,20.0,A7B3_mC40_12_7i_3i:O-Ti +mp-1179358,Ti3O7,-8.745956431,-2.9146267281,0.2376108971,0.2376108971,GGA,C2/m,A7B3_mC40_12_7i_3i:O-Ti,20.0,A7B3_mC40_12_7i_3i:O-Ti +mp-1205462,Ti3O7,-8.5234988505,-2.6921691476,0.4600684776,0.4600684776,GGA,C2/m,A7B3_mC40_12_7i_3i:O-Ti,20.0,A7B3_mC40_12_7i_3i:O-Ti +mp-1045643,Ti9O13,-9.2805516709,-3.1275343347,0.1407040773,0.1407040773,GGA,C2/m,A13B9_mC44_12_a6i_d4i:O-Ti,22.0,A13B9_mC44_12_a6i_c4i:O-Ti +mp-1101463,Ti11O14,-9.342136012,-3.0979738464,0.0479849304,0.0479849304,GGA,C2/m,A14B11_mC50_12_i3j_a2g3h:O-Ti,25.0,"Invalid WP multiplicities - A14B11_mC50_12_2i6j_a3g5h:O-Ti, expected Ti17O28 to be Ti11O14" +mp-865927,AcTiO3,-8.979745746,-3.6083991144,0.0,-0.087081776,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ac-O-Ti,5.0,AB3C_cP5_221_a_c_b:Ac-O-Ti +mp-978968,Ti3O2,-9.069092864,-2.3531221695,0.03190666,0.03190666,GGA,R-3c,A2B3_hR30_167_c_e:O-Ti,10.0,A2B3_hR30_167_c_e:O-Ti +mp-656852,Ti13O22,-9.4227412927,-3.3807827823,0.0103909424,0.0103909424,GGA,Cmce,A22B13_oC140_64_e2f4g_adf2g:O-Ti,70.0,"Invalid WP multiplicities - A22B13_oC140_64_2e6f14g_2a4d2f6g:O-Ti, expected Ti19O36 to be Ti13O22" +mp-1183172,AcO,-7.46002783,-2.9260959706,0.1892637513,0.1892637513,GGA,P6_3/mmc,AB_hP4_194_c_d:Ac-O,4.0,AB_hP4_194_c_d:Ac-O +mp-1183108,Ac3Ti,-4.665085545,0.3996687148,0.3996687148,0.3996687148,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-Ti,4.0,A3B_tI8_139_ad_b:Ac-Ti +mp-779692,Ti7O8,-9.2474762027,-2.9246792822,0.1157833387,0.1157833387,GGA,Cm,A8B7_mC30_8_8a_7a:O-Ti,15.0,A8B7_mC30_8_8a_7a:O-Ti +mp-1245031,Ti3O5,-9.2227394108,-3.17024946,0.2104887155,0.2083097655,GGA,P1,A5B3_aP104_1_65a_39a:O-Ti,104.0,A5B3_aP104_1_65a_39a:O-Ti +mp-1245051,Ti3O5,-9.2404386112,-3.1879486604,0.1927895151,0.1906105651,GGA,P1,A5B3_aP104_1_65a_39a:O-Ti,104.0,A5B3_aP104_1_65a_39a:O-Ti +mp-1245086,Ti3O5,-9.2395789684,-3.1870890176,0.1936491579,0.1914702079,GGA,P1,A5B3_aP104_1_65a_39a:O-Ti,104.0,A5B3_aP104_1_65a_39a:O-Ti +mp-1245135,Ti3O5,-9.2381862617,-3.1856963109,0.1950418645,0.1928629145,GGA,P1,A5B3_aP104_1_65a_39a:O-Ti,104.0,A5B3_aP104_1_65a_39a:O-Ti +mp-1245292,Ti3O5,-9.2339909684,-3.1815010176,0.1992371579,0.1970582079,GGA,P1,A5B3_aP104_1_65a_39a:O-Ti,104.0,A5B3_aP104_1_65a_39a:O-Ti +mp-1147,Ti3O5,-9.4332281263,-3.3807381755,0.0,-0.00217895,GGA,C2/m,A5B3_mC32_12_5i_3i:O-Ti,16.0,A5B3_mC32_12_5i_3i:O-Ti +mp-556480,Ti3O5,-9.4262483919,-3.3737584411,0.0069797344,0.0048007844,GGA,C2/m,A5B3_mC32_12_5i_3i:O-Ti,16.0,"Invalid WP multiplicities - A5B3_mC32_12_9i_5i:O-Ti, expected Ti5O9 to be Ti3O5" +mp-556754,Ti3O5,-9.4204670194,-3.3679770686,0.0127611069,0.0105821569,GGA,C2/c,A5B3_mC32_15_e2f_af:O-Ti,16.0,"Invalid WP multiplicities - A5B3_mC32_15_2e7f_cf:O-Ti, expected Ti3O16 to be Ti3O5" +mp-8057,Ti3O5,-9.4281431556,-3.3756532048,0.0050849706,0.0029060206,GGA,Cmcm,A5B3_oC32_63_c2f_cf:O-Ti,16.0,A5B3_oC32_63_c2f_cf:O-Ti +mp-1045759,Ti5O7,-9.258616995,-3.0832602398,0.1550076733,0.1550076733,GGA,Cmcm,A7B5_oC48_63_c3f_a2f:O-Ti,24.0,"Invalid WP multiplicities - A7B5_oC48_63_c3f_a3f:O-Ti, expected TiO to be Ti5O7" +mp-656850,Ti2O7,-7.4427249489,-1.8407466142,0.4942442193,0.4942442193,GGA,P-1,A7B2_aP18_2_7i_2i:O-Ti,18.0,"Invalid WP multiplicities - A7B2_aP18_2_13i_3i:O-Ti, expected Ti3O13 to be Ti2O7" +mp-1244955,Ti2O,-8.6120554486,-1.6994978671,0.3364885647,0.3168542989,GGA,P1,AB2_aP102_1_34a_68a:O-Ti,102.0,AB2_aP102_1_34a_68a:O-Ti +mp-1245066,Ti2O,-8.625311825,-1.7127542435,0.3232321883,0.3035979225,GGA,P1,AB2_aP102_1_34a_68a:O-Ti,102.0,AB2_aP102_1_34a_68a:O-Ti +mp-1245186,Ti2O,-8.6286176574,-1.7160600758,0.319926356,0.3002920901,GGA,P1,AB2_aP102_1_34a_68a:O-Ti,102.0,AB2_aP102_1_34a_68a:O-Ti +mp-1245206,Ti2O,-8.6060018752,-1.6934442937,0.3425421381,0.3229078723,GGA,P1,AB2_aP102_1_34a_68a:O-Ti,102.0,AB2_aP102_1_34a_68a:O-Ti +mp-1245309,Ti2O,-8.6250268471,-1.7124692655,0.3235171663,0.3038829004,GGA,P1,AB2_aP102_1_34a_68a:O-Ti,102.0,AB2_aP102_1_34a_68a:O-Ti +mp-1217152,Ti2O,-8.8987406733,-1.9861830918,0.04980334,0.0301690742,GGA,P2/m,AB2_mP9_10_am_m2n:O-Ti,9.0,"Invalid WP multiplicities - AB2_mP9_10_am_m4n:O-Ti, expected Ti10O3 to be Ti2O" +mp-1215,Ti2O,-8.9485440133,-2.0359864318,0.0,-0.0196342658,GGA,P-3m1,AB2_hP3_164_a_d:O-Ti,3.0,AB2_hP3_164_a_d:O-Ti +mp-1244926,TiO,-9.0045900806,-2.5834997166,0.3250927094,0.2451487404,GGA,P1,AB_aP100_1_50a_50a:O-Ti,100.0,AB_aP100_1_50a_50a:O-Ti +mp-1244944,TiO,-9.0277340351,-2.6066436711,0.3019487549,0.2220047859,GGA,P1,AB_aP100_1_50a_50a:O-Ti,100.0,AB_aP100_1_50a_50a:O-Ti +mp-1245141,TiO,-9.0179777134,-2.5968873494,0.3117050766,0.2317611076,GGA,P1,AB_aP100_1_50a_50a:O-Ti,100.0,AB_aP100_1_50a_50a:O-Ti +mp-1245294,TiO,-9.0142502567,-2.5931598927,0.3154325333,0.2354885643,GGA,P1,AB_aP100_1_50a_50a:O-Ti,100.0,AB_aP100_1_50a_50a:O-Ti +mp-1245324,TiO,-8.9943951348,-2.5733047708,0.3352876552,0.2553436862,GGA,P1,AB_aP100_1_50a_50a:O-Ti,100.0,AB_aP100_1_50a_50a:O-Ti +mp-673667,TiO,-9.1335879143,-2.7124975503,0.1960948757,0.1161509067,GGA,P-1,AB_aP42_2_abc9i_deh9i:O-Ti,42.0,"Invalid WP multiplicities - AB_aP42_2_abc18i_deh16i:O-Ti, expected Ti35O39 to be TiO" +mp-1203,TiO,-9.286942357,-2.865851993,0.042740433,-0.037203536,GGA,C2/m,AB_mC20_12_a2i_d2i:O-Ti,10.0,AB_mC20_12_a2i_c2i:O-Ti +mp-685151,TiO,-9.14761028,-2.726519916,0.18207251,0.102128541,GGA,I4/mmm,AB_tI24_139_3e_3e:O-Ti,12.0,AB_tI24_139_5e_5e:O-Ti +mp-755264,TiO,-9.232088035,-2.810997671,0.097594755,0.017650786,GGA,P-6m2,AB_hP2_187_a_d:O-Ti,2.0,AB_hP2_187_a_d:O-Ti +mp-1071163,TiO,-9.32968279,-2.908592426,0.0,-0.079943969,GGA,P-62m,AB_hP6_189_f_ad:O-Ti,6.0,AB_hP6_189_f_ad:O-Ti +mp-754333,TiO,-9.197352245,-2.776261881,0.132330545,0.052386576,GGA,P6_3/mmc,AB_hP4_194_a_c:O-Ti,4.0,AB_hP4_194_a_c:O-Ti +mp-755300,TiO,-9.2171061767,-2.7960158127,0.1125766133,0.0326326443,GGA,Pm-3m,AB_cP6_221_c_d:O-Ti,6.0,AB_cP6_221_c_d:O-Ti +mp-2664,TiO,-9.05723877,-2.636148406,0.27244402,0.192500051,GGA,Fm-3m,AB_cF8_225_a_b:O-Ti,2.0,AB_cF8_225_a_b:O-Ti +mp-27273,Ti9O17,-9.4167873067,-3.4493589898,0.0156663144,0.0156663144,GGA,P-1,A17B9_aP52_2_17i_ac8i:O-Ti,52.0,A17B9_aP52_2_17i_ac8i:O-Ti +mp-882,Ti6O,-8.3793775057,-0.9051431041,0.0117340729,-0.007867655,GGA,P-31m,AB6_hP7_162_a_k:O-Ti,7.0,AB6_hP7_162_a_k:O-Ti +mp-554098,Ti6O,-8.3911115786,-0.916877177,0.0,-0.0196017279,GGA,P-31c,AB6_hP14_163_c_i:O-Ti,14.0,AB6_hP14_163_c_i:O-Ti +mp-776456,Ti2O3,-9.3603546887,-3.2341446552,0.0700583553,0.0521643703,GGA,P2_1/m,A3B2_mP30_11_9e_6e:O-Ti,30.0,"Invalid WP multiplicities - A3B2_mP30_11_17e_11e:O-Ti, expected Ti11O17 to be Ti2O3" +mp-1101295,Ti2O3,-9.333990865,-3.2077808316,0.096422179,0.078528194,GGA,P2_1/m,A3B2_mP10_11_3e_2e:O-Ti,10.0,"Invalid WP multiplicities - A3B2_mP10_11_5e_3e:O-Ti, expected Ti3O5 to be Ti2O3" +mp-1179268,Ti2O3,-9.052125946,-2.9259159126,0.378287098,0.360393113,GGA,C2/c,A3B2_mC20_15_ef_f:O-Ti,10.0,"Invalid WP multiplicities - A3B2_mC20_15_2e3f_f:O-Ti, expected TiO4 to be Ti2O3" +mp-1188323,Ti2O3,-9.4059566145,-3.2797465811,0.0244564295,0.0065624445,GGA,Pnma,A3B2_oP20_62_3c_2c:O-Ti,20.0,A3B2_oP20_62_3c_2c:O-Ti +mp-1046793,Ti2O3,-9.300624135,-3.1744141016,0.129788909,0.111894924,GGA,Cmcm,A3B2_oC40_63_ac2f_2f:O-Ti,20.0,A3B2_oC40_63_ac2f_2f:O-Ti +mp-776655,Ti2O3,-9.351441229,-3.2252311956,0.078971815,0.06107783,GGA,P-31c,A3B2_hP20_163_i_bcf:O-Ti,20.0,"Invalid WP multiplicities - A3B2_hP20_163_i_b2c3f:O-Ti, expected Ti3O2 to be Ti2O3" +mp-458,Ti2O3,-9.430413044,-3.3042030106,0.0,-0.017893985,GGA,R-3c,A3B2_hR30_167_e_c:O-Ti,10.0,A3B2_hR30_167_e_c:O-Ti +mp-32813,Ti9O10,-9.1598362626,-2.8163459857,0.1963544889,0.1963544889,GGA,P-1,A10B9_aP19_2_5i_a4i:O-Ti,19.0,"Invalid WP multiplicities - A10B9_aP19_2_9i_a6i:O-Ti, expected Ti13O18 to be Ti9O10" +mp-1217149,Ti9O10,-9.1115282384,-2.7680379614,0.2446625132,0.2446625132,GGA,C2/m,A10B9_mC38_12_i2j_aghj:O-Ti,19.0,"Invalid WP multiplicities - A10B9_mC38_12_i4j_a2g2h3j:O-Ti, expected Ti7O6 to be Ti9O10" +mp-777129,TiO2,-9.384698475,-3.4550753286,0.0474109217,-0.1334703755,GGA,P1,A2B_aP54_1_36a_18a:O-Ti,54.0,A2B_aP54_1_36a_18a:O-Ti +mp-1245098,TiO2,-9.2719142536,-3.3422911072,0.1601951431,-0.0206861541,GGA,P1,A2B_aP90_1_60a_30a:O-Ti,90.0,A2B_aP90_1_60a_30a:O-Ti +mp-1245134,TiO2,-9.2590918939,-3.3294687475,0.1730175028,-0.0078637944,GGA,P1,A2B_aP90_1_60a_30a:O-Ti,90.0,A2B_aP90_1_60a_30a:O-Ti +mp-1245308,TiO2,-9.2682986532,-3.3386755068,0.1638107434,-0.0170705537,GGA,P1,A2B_aP90_1_60a_30a:O-Ti,90.0,A2B_aP90_1_60a_30a:O-Ti +mp-1245321,TiO2,-9.2492287729,-3.3196056265,0.1828806238,0.0019993266,GGA,P1,A2B_aP90_1_60a_30a:O-Ti,90.0,A2B_aP90_1_60a_30a:O-Ti +mp-390,TiO2,-9.42571143,-3.4960882836,0.0063979667,-0.1744833305,GGA,I4_1/amd,A2B_tI12_141_e_a:O-Ti,6.0,A2B_tI12_141_e_a:O-Ti +mp-1350429,TiO2,-9.2529765527,-3.3233534063,0.179132844,-0.0017484532,GGA,Cm,A2B_mC96_8_16a8b_8a4b:O-Ti,48.0,"Invalid WP multiplicities - A2B_mC96_8_16a16b_8a7b:O-Ti, expected Ti11O24 to be TiO2" +mp-572822,TiO2,-8.9060945575,-2.9764714111,0.5260148392,0.345133542,GGA,P2_1/m,A2B_mP12_11_4e_2e:O-Ti,12.0,"Invalid WP multiplicities - A2B_mP12_11_8e_3e:O-Ti, expected Ti3O8 to be TiO2" +mp-554278,TiO2,-9.4321093967,-3.5024862503,0.0,-0.1808812972,GGA,C2/m,A2B_mC24_12_4i_2i:O-Ti,12.0,A2B_mC24_12_8i_4i:O-Ti +mp-766454,TiO2,-9.3674658089,-3.4378426625,0.0646435878,-0.1162377094,GGA,C2/m,A2B_mC18_12_3i_ai:O-Ti,9.0,"Invalid WP multiplicities - A2B_mC18_12_5i_ai:O-Ti, expected Ti3O10 to be TiO2" +mp-430,TiO2,-9.3666958675,-3.4370727211,0.0654135292,-0.115467768,GGA,P2_1/c,A2B_mP12_14_2e_e:O-Ti,12.0,A2B_mP12_14_2e_e:O-Ti +mp-34688,TiO2,-9.4240243517,-3.4944012053,0.008085045,-0.1727962522,GGA,C2/c,A2B_mC12_15_f_e:O-Ti,6.0,A2B_tI12_141_e_a:O-Ti +mp-636827,TiO2,-9.129950105,-3.2003269586,0.3021592917,0.1212779945,GGA,Pmm2,A2B_oP6_25_acf_ad:O-Ti,6.0,"Invalid WP multiplicities - A2B_oP6_25_ac2f_ad:O-Ti, expected TiO3 to be TiO2" +mp-655656,TiO2,-9.1269316158,-3.1973084694,0.3051777808,0.1242964837,GGA,Cmm2,A2B_oC24_35_abdf_de:O-Ti,12.0,"Invalid WP multiplicities - A2B_oC24_35_ab2d3f_2d2e:O-Ti, expected Ti4O9 to be TiO2" +mp-1341203,TiO2,-9.2811273212,-3.3515041749,0.1509820754,-0.0298992218,GGA,Pmmn,A2B_oP24_59_2eg_ce:O-Ti,24.0,A2B_oP24_59_2eg_ce:O-Ti +mp-1439,TiO2,-9.4005667558,-3.4709436094,0.0315426408,-0.1493386563,GGA,Pbcn,A2B_oP12_60_d_c:O-Ti,12.0,A2B_oP12_60_d_c:O-Ti +mp-775938,TiO2,-9.3928226583,-3.4631995119,0.0392867383,-0.1415945588,GGA,Pbcn,A2B_oP36_60_3d_cd:O-Ti,36.0,"Invalid WP multiplicities - A2B_oP36_60_9d_3c4d:O-Ti, expected Ti11O18 to be TiO2" +mp-1840,TiO2,-9.4119021142,-3.4822789678,0.0202072825,-0.1606740147,GGA,Pbca,A2B_oP24_61_2c_c:O-Ti,24.0,A2B_oP24_61_2c_c:O-Ti +mp-1190753,TiO2,-9.3146075196,-3.3849843732,0.1175018771,-0.0633794201,GGA,Pbca,A2B_oP24_61_2c_c:O-Ti,24.0,A2B_oP24_61_2c_c:O-Ti +mp-849533,TiO2,-9.3418283354,-3.412205189,0.0902810612,-0.0906002359,GGA,Pnma,A2B_oP24_62_4c_2c:O-Ti,24.0,"Invalid WP multiplicities - A2B_oP24_62_13c_5c:O-Ti, expected Ti5O13 to be TiO2" +mp-754672,TiO2,-9.4000292483,-3.4704061019,0.0320801483,-0.1488011488,GGA,Pnma,A2B_oP12_62_2c_c:O-Ti,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:O-Ti, expected TiO5 to be TiO2" +mp-754769,TiO2,-9.3795156258,-3.4498924794,0.0525937708,-0.1282875263,GGA,Pnma,A2B_oP24_62_4c_2c:O-Ti,24.0,"Invalid WP multiplicities - A2B_oP24_62_13c_5c:O-Ti, expected Ti5O13 to be TiO2" +mp-756655,TiO2,-9.3581430508,-3.4285199044,0.0739663458,-0.1069149513,GGA,Pnma,A2B_oP24_62_4c_2c:O-Ti,24.0,"Invalid WP multiplicities - A2B_oP24_62_13c_2c:O-Ti, expected Ti2O13 to be TiO2" +mp-9173,TiO2,-9.3728490092,-3.4432258628,0.0592603875,-0.1216209097,GGA,Pnma,A2B_oP12_62_2c_c:O-Ti,12.0,A2B_oP12_62_2c_c:O-Ti +mp-1102255,TiO2,-9.1409353217,-3.2113121753,0.291174075,0.1102927778,GGA,Pnma,A2B_oP12_62_2c_c:O-Ti,12.0,A2B_oP12_62_2c_c:O-Ti +mp-1201727,TiO2,-9.3647498187,-3.4351266724,0.0673595779,-0.1135217193,GGA,Pnma,A2B_oP48_62_8c_4c:O-Ti,48.0,A2B_oP48_62_8c_4c:O-Ti +mp-2420244,TiO2,-9.4220326675,-3.4924095211,0.0100767292,-0.170804568,GGA,Pnma,A2B_oP12_62_2c_c:O-Ti,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:O-Ti, expected TiO5 to be TiO2" +mp-1386640,TiO2,-9.2852613817,-3.3556382353,0.146848015,-0.0340332822,GGA,Cmcm,A2B_oC24_63_acf_f:O-Ti,12.0,A2B_oC24_63_acf_f:O-Ti +mp-1041565,TiO2,-9.3948787042,-3.4652555578,0.0372306925,-0.1436506047,GGA,Imma,A2B_oI24_74_hi_ae:O-Ti,12.0,A2B_tP6_136_f_a:O-Ti +mp-1400963,TiO2,-9.3710567867,-3.4414336403,0.06105261,-0.1198286872,GGA,I4/m,A2B_tI24_87_2h_h:O-Ti,12.0,A2B_tI24_87_2h_h:O-Ti +mp-1101022,TiO2,-9.3933436583,-3.4637205119,0.0387657383,-0.1421155588,GGA,I4/m,A2B_tI24_87_2h_h:O-Ti,12.0,"Invalid WP multiplicities - A2B_tI24_87_7h_h:O-Ti, expected TiO7 to be TiO2" +mp-2657,TiO2,-9.39488809,-3.4652649436000003,0.0372213067,-0.1436599905,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Ti,6.0,A2B_tP6_136_f_a:O-Ti +mp-553432,TiO2,-9.3829834267,-3.4533602803,0.04912597,-0.1317553272,GGA,P3_121,A2B_hP9_152_c_a:O-Ti,9.0,A2B_hP9_152_c_a:O-Ti +mp-1380335,TiO2,-9.2610363308,-3.3314131844,0.1710730658,-0.0098082313,GGA,P3m1,A2B_hP36_156_2a2b2c6d_2ab3d:O-Ti,36.0,"Invalid WP multiplicities - A2B_hP36_156_2a2b2c15d_2ab7d:O-Ti, expected Ti8O17 to be TiO2" +mp-1044853,TiO2,-9.2607421089,-3.3311189625,0.1713672878,-0.0095140094,GGA,P3m1,A2B_hP36_156_2a2b2c6d_2ab3d:O-Ti,36.0,"Invalid WP multiplicities - A2B_hP36_156_2a2b2c13d_2ab7d:O-Ti, expected Ti8O15 to be TiO2" +mp-1408285,TiO2,-9.2510563242,-3.3214331778,0.1810530725,0.0001717753,GGA,R3m,A2B_hR36_160_2a2b_ab:O-Ti,12.0,A2B_hR36_160_2a2b_ab:O-Ti +mp-25433,TiO2,-9.2795083333,-3.3498851869,0.1526010633,-0.0282802338,GGA,R-3m,A2B_hR9_166_c_a:O-Ti,3.0,A2B_hR9_166_c_a:O-Ti +mp-1426806,TiO2,-9.2803073267,-3.3506841803,0.15180207,-0.0290792272,GGA,R-3m,A2B_hR9_166_c_a:O-Ti,3.0,A2B_hR9_166_c_a:O-Ti +mp-756587,TiO2,-9.3205683579,-3.3909452115,0.1115410387,-0.0693402584,GGA,P6_3mc,A2B_hP24_186_ab2c_bc:O-Ti,24.0,"Invalid WP multiplicities - A2B_hP24_186_a2b9c_2b3c:O-Ti, expected Ti11O30 to be TiO2" +mp-1079207,TiO2,-9.1057098644,-3.1760867181,0.3263995322,0.145518235,GGA,P-62m,A2B_hP9_189_fg_ad:O-Ti,9.0,A2B_hP9_189_fg_ad:O-Ti +mp-1445035,TiO2,-6.6939779867,-0.7643548403,2.7381314100000003,2.5572501128000003,GGA,P6_3/mmc,A2B_hP6_194_f_c:O-Ti,6.0,A2B_hP6_194_f_c:O-Ti +mp-1102591,TiO2,-9.1819430167,-3.2523198703,0.25016638,0.0692850828,GGA,Pa-3,A2B_cP12_205_c_a:O-Ti,12.0,A2B_cP12_205_c_a:O-Ti +mp-1008677,TiO2,-9.13020195,-3.2005788036,0.3019074467,0.1210261495,GGA,Fm-3m,A2B_cF12_225_c_a:O-Ti,3.0,A2B_cF12_225_c_a:O-Ti +mp-25262,TiO2,-9.2532951608,-3.3236720144,0.1788142358,-0.0020670613,GGA,Fd-3m,A2B_cF48_227_e_c:O-Ti,12.0,A2B_cF48_227_e_c:O-Ti +mp-748,Ti5O9,-9.4259706929,-3.426137944,0.0067779779,0.0067779779,GGA,P-1,A9B5_aP28_2_9i_ac4i:O-Ti,28.0,A9B5_aP28_2_9i_ac4i:O-Ti +mp-1080443,YCu,-5.54140108,-0.2585621883,0.0,-0.0627679392,GGA,Pnma,AB_oP8_62_c_c:Cu-Y,8.0,AB_oP8_62_c_c:Cu-Y +mp-712,YCu,-5.52776607,-0.2449271783,0.01363501,-0.0491329292,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Y,2.0,AB_cP2_221_a_b:Cu-Y +mp-1190402,Y2Cu3,-4.699696722,0.3464157253,0.606476,0.606476,GGA,Cmcm,A3B2_oC40_63_acdg_2f:Cu-Y,20.0,"Invalid WP multiplicities - A3B2_oC40_63_2a2c3d2g_2f:Cu-Y, expected Y2Cu7 to be Y2Cu3" +mp-570670,YOs2,-9.9364386058,-0.2960366147,0.0,-0.1904452097,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Y,12.0,A2B_hP12_194_ah_f:Os-Y +mp-1188757,Y3Os,-7.8942758538,-0.2375806613,0.0,-0.1265669307,GGA,Pnma,AB3_oP16_62_c_cd:Os-Y,16.0,AB3_oP16_62_c_cd:Os-Y +mp-2698,YCu2,-5.1493538167,-0.2610589989,0.0,-0.0366536917,GGA,Imma,A2B_oI12_74_h_e:Cu-Y,6.0,A2B_oI12_74_h_e:Cu-Y +mp-1102436,YCu2,-5.0759079308,-0.1876131131,0.0734458858,0.0367921942,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cu-Y,12.0,A2B_hP12_194_ah_f:Cu-Y +mp-1077241,YCu2,-5.0432492967,-0.1549544789,0.10610452,0.0694508283,GGA,Fd-3m,A2B_cF24_227_c_b:Cu-Y,6.0,A2B_cF24_227_c_b:Cu-Y +mp-1187883,YOs3,-9.5980904412,0.4390529096,0.6610803706,0.6610803706,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Y,8.0,A3B_hP8_194_h_c:Os-Y +mp-2797,YCu5,-4.68399917,-0.1902484261,0.0,-0.0597189267,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Y,6.0,A5B_hP6_191_cg_a:Cu-Y +mp-1096745,Y2CuOs,-4.58954542,2.4753336617,2.7409418725,2.7409418725,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Os-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Os-Y +mp-1187718,Y2CuOs,-7.298968815,-0.2340897333,0.0315184775,0.0315184775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Os-Y,4.0,ABC2_cF16_225_a_b_c:Cu-Os-Y +mp-1207968,TmHfF7,-7.4200351639,-4.3296599166,0.0,-0.2044715024,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Tm,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Tm +mp-31033,HfF4,-7.6477713887,-4.1271504087,0.0,-4.1271504087,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Hf,30.0,"Invalid WP multiplicities - A4B_mC60_15_ce6f_ef:F-Hf, expected Hf3F14 to be HfF4" +mp-1096226,Y2TcPb,-4.3533880275,2.3981690329,2.8345675362,2.8345675362,GGA,Immm,ABC2_oI8_71_a_b_e:Pb-Tc-Y,4.0,ABC2_oI8_71_a_b_e:Pb-Tc-Y +mp-1187881,Y3Pb,-6.0539648025,-0.2759496999999999,0.1162694507,0.1162694507,GGA,I4/mmm,AB3_tI8_139_a_bd:Pb-Y,4.0,AB3_tI8_139_a_bd:Pb-Y +mp-20291,YPb3,-4.69530942,-0.2942063392,0.00107271,0.00107271,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Y,4.0,A3B_cP4_221_c_a:Pb-Y +mp-672188,Y5Pb4,-5.4168610044,-0.1743116881,0.3676781505,0.3676781505,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Y,36.0,"Invalid WP multiplicities - A4B5_oP36_62_8c5d_4c9d:Pb-Y, expected Y11Pb9 to be Y5Pb4" +mp-1188292,Y5Pb3,-6.0221158231,-0.5883287260000001,0.0,-0.2770523164,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Y,16.0,A3B5_hP16_193_g_dg:Pb-Y +mp-636614,YPb2,-5.0242938167,-0.3937053989,0.0,-0.0341385293,GGA,Cmcm,A2B_oC12_63_2c_c:Pb-Y,6.0,A2B_oC12_63_2c_c:Pb-Y +mp-1207878,Y2(Ga3Ru)3,-5.4017678229,-0.5439811051,0.0,-0.0108329381,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ru-Y +mp-1204352,Y3Ga2,-5.6648785242,-0.5737574472,0.0,-0.0208233065,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Y,40.0,A2B3_tI80_140_achl_ghm:Ga-Y +mp-30681,YGa6,-3.82979286,-0.310500396,0.0,-0.0032174204,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Y,14.0,A6B_tP14_125_gm_c:Ga-Y +mp-1104503,YGa3Ru,-5.553980832,-0.5889484878,0.0,-0.0352325301,GGA,Pm-3m,A3BC_cP15_221_ag_c_d:Ga-Ru-Y,15.0,A3BC_cP15_221_ag_c_d:Ga-Ru-Y +mp-1210366,Y3Ga15Ru4,-5.1513916364,-0.5187341892,0.0,-0.0001567413,GGA,Pnma,A15B4C3_oP88_62_5c5d_2d_3c:Ga-Ru-Y,88.0,A15B4C3_oP88_62_5c5d_2d_3c:Ga-Ru-Y +mp-865598,YGa3,-4.4250285637,-0.5373387685000001,0.0004064388,-0.0281259956,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Y,8.0,A3B_hP8_194_h_c:Ga-Y +mp-979423,YGa3,-4.4254350025,-0.5377452073,0.0,-0.0285324344,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Y,4.0,A3B_cP4_221_c_a:Ga-Y +mp-1914,YGa2,-4.8379878967,-0.6637668439000001,0.0,-0.0826132275,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Y,3.0,A2B_hP3_191_c_b:Ga-Y +mp-1187766,Y3Ga,-5.844897545,-0.2380202044,0.1205782002,0.1205782002,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Y,4.0,AB3_cP4_221_a_c:Ga-Y +mp-11420,YGa,-5.4152540025,-0.6679704346,0.0,-0.0604594636,GGA,Cmcm,AB_oC8_63_c_c:Ga-Y,4.0,AB_oC8_63_c_c:Ga-Y +mp-672256,Y5Ga3,-5.7012555216,-0.5241750673,0.0137225395,0.0137225395,GGA,P4/ncc,A3B5_tP32_130_cf_cg:Ga-Y,32.0,"Invalid WP multiplicities - A3B5_tP32_130_2c3f_3c4g:Ga-Y, expected Y19Ga8 to be Y5Ga3" +mp-510521,Y5Ga3,-5.6833708762,-0.5062904220000001,0.0316071848,0.0316071848,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Y,16.0,A3B5_hP16_193_g_dg:Ga-Y +mp-505552,Cd2Ru2O7,-6.4107041205,-1.4087581587,0.0,-0.0467431539,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Cd-O-Ru +mp-1096876,CdO2,-4.1101366767,-0.5047142825,0.4055175237,0.4055175237,GGA,Cm,AB2_mC12_8_b_2ab:Cd-O,6.0,AB2_mC12_8_b_2ab:Cd-O +mp-1096866,CdO2,-4.0836827167,-0.4782603225,0.4319714837,0.4319714837,GGA,P-3m1,AB2_hP3_164_a_d:Cd-O,3.0,AB2_hP3_164_a_d:Cd-O +mp-2310,CdO2,-4.4598441083,-0.8544217142,0.0558100921,0.0558100921,GGA,Pa-3,AB2_cP12_205_a_c:Cd-O,12.0,AB2_cP12_205_a_c:Cd-O +mp-13119,CdO,-4.292916095,-1.3581268594,0.00722085,-0.7173105738000001,GGA,P6_3mc,AB_hP4_186_b_b:Cd-O,4.0,AB_hP4_186_b_b:Cd-O +mp-1132,CdO,-4.300136945,-1.3653477094,0.0,-0.7245314238,GGA,Fm-3m,AB_cF8_225_a_b:Cd-O,2.0,AB_cF8_225_a_b:Cd-O +mp-547094,RuO4,-6.994256501,-1.182025024,0.0009664927,-0.3069189675,GGA,C2/c,A4B_mC20_15_2f_e:O-Ru,10.0,"Invalid WP multiplicities - A4B_mC20_15_7f_e:O-Ru, expected RuO14 to be RuO4" +mp-554791,RuO4,-6.9952229937,-1.1829915167,0.0,-0.3078854603,GGA,P-43n,A4B_cP40_218_ei_ac:O-Ru,40.0,"Invalid WP multiplicities - A4B_cP40_218_6e6i_2a3c:O-Ru, expected Ru11O96 to be RuO4" +mp-1016849,CdRuO3,-6.094784726,-1.0873130393,0.333932101,0.333932101,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Ru,5.0,AB3C_cP5_221_a_c_b:Cd-O-Ru +mp-825,RuO2,-7.8477700817,-1.4585100942,0.0,-0.4726838302,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Ru,6.0,A2B_tP6_136_f_a:O-Ru +mp-8909,RuO2,-7.7810089217,-1.3917489342,0.06676116,-0.4059226702,GGA,Pa-3,A2B_cP12_205_c_a:O-Ru,12.0,A2B_cP12_205_c_a:O-Ru +mp-1008785,RuO2,-7.6597113433,-1.2704513558,0.1880587383,-0.2846250919,GGA,Fm-3m,A2B_cF12_225_c_a:O-Ru,3.0,A2B_cF12_225_c_a:O-Ru +mp-1206203,YbSeI,-1.6670040067,0.5026246959,2.2511096563,2.2511096563,GGA,Pmmm,ABC_oP6_47_i_i_i:I-Se-Yb,,ABC_oP6_47_i_i_i:I-Se-Yb +mp-861871,SeI2,-2.366790485,-0.2192424258,0.0,-0.2192424258,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Se,6.0,A2B_tP6_136_f_a:I-Se +mp-570418,YbI2,-3.4445703967,-1.9491234033,0.0,-1.9491234033,GGA,P-3m1,A2B_hP3_164_d_a:I-Yb,,A2B_hP3_164_d_a:I-Yb +mp-24092,GdH2,-7.73363372,-0.7797756100000001,0.0,-0.1450902841,GGA,Fm-3m,AB2_cF12_225_a_c:Gd-H,3.0,AB2_cF12_225_a_c:Gd-H +mp-1191093,Gd2Fe17H3,-8.3473417132,-0.0600333866,0.1047642491,0.1047642491,GGA,R-3m,A17B2C3_hR66_166_cdfh_c_e:Fe-Gd-H,22.0,A17B2C3_hR66_166_cdfh_c_e:Fe-Gd-H +mp-1079939,FeH4,-4.193624231,0.214560847,0.241950966,0.241950966,GGA,P2_1/m,AB4_mP10_11_e_aef:Fe-H,10.0,AB4_mP10_11_e_aef:Fe-H +mp-505686,GdH3,-6.7775960854,-0.7140209917,0.0,-0.1291892842,GGA,P-3c1,AB3_hP24_165_f_adg:Gd-H,24.0,AB3_hP24_165_f_adg:Gd-H +mp-24131,GdH3,-6.7735929937,-0.7100179,0.0040030917,-0.1251861925,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Gd-H,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Gd-H, expected GdH5 to be GdH3" +mp-1009077,FeH,-5.999848925,-0.0684752975,0.0,-0.0684752975,GGA,Fm-3m,AB_cF8_225_a_b:Fe-H,2.0,AB_cF8_225_a_b:Fe-H +mp-1018061,FeH3,-4.5148846125,0.1471652238,0.1814028725,0.1814028725,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-H,4.0,AB3_cP4_221_a_c:Fe-H +mp-1080476,FeH3,-4.37053615,0.2915136863,0.325751335,0.325751335,GGA,Pm-3n,AB3_cP8_223_a_c:Fe-H,8.0,AB3_cP8_223_a_c:Fe-H +mp-1184287,Fe3H,-6.63214997,0.5685474488,0.6027850975,0.6027850975,GGA,I4/mmm,A3B_tI8_139_ad_b:Fe-H,4.0,A3B_tI8_139_ad_b:Fe-H +mp-984102,Fe3H,-6.6345567312,0.5661406875,0.6003783363,0.6003783363,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-H,8.0,A3B_hP8_194_h_c:Fe-H +mp-1244883,HfO2,-10.4081933905,-3.7913379063,0.2293213303,-3.7913379063,GGA,P1,AB2_aP102_1_34a_68a:Hf-O,102.0,AB2_aP102_1_34a_68a:Hf-O +mp-1244885,HfO2,-10.3830042675,-3.7661487833,0.2545104534,-3.7661487833,GGA,P1,AB2_aP102_1_34a_68a:Hf-O,102.0,AB2_aP102_1_34a_68a:Hf-O +mp-1245107,HfO2,-10.4103978058,-3.7935423216,0.227116915,-3.7935423216,GGA,P1,AB2_aP102_1_34a_68a:Hf-O,102.0,AB2_aP102_1_34a_68a:Hf-O +mp-1245112,HfO2,-10.4276068643,-3.8107513801,0.2099078565,-3.8107513801,GGA,P1,AB2_aP102_1_34a_68a:Hf-O,102.0,AB2_aP102_1_34a_68a:Hf-O +mp-1245226,HfO2,-10.4207420533,-3.8038865692,0.2167726675,-3.8038865692,GGA,P1,AB2_aP102_1_34a_68a:Hf-O,102.0,AB2_aP102_1_34a_68a:Hf-O +mp-352,HfO2,-10.6375147208,-4.0206592367,0.0,-4.0206592367,GGA,P2_1/c,AB2_mP12_14_e_2e:Hf-O,12.0,AB2_mP12_14_e_2e:Hf-O +mp-1224381,HfO2,-10.5458983017,-3.9290428175,0.0916164192,-3.9290428175,GGA,P2_12_12,AB2_oP12_18_c_abc:Hf-O,12.0,AB2_oP12_18_c_abc:Hf-O +mp-685097,HfO2,-10.608893435,-3.9920379508,0.0286212858,-3.9920379508,GGA,Pca2_1,AB2_oP12_29_a_2a:Hf-O,12.0,"Invalid WP multiplicities - AB2_oP12_29_a_3a:Hf-O, expected HfO3 to be HfO2" +mp-776097,HfO2,-10.6094937797,-3.9926382956,0.0280209411,-3.9926382956,GGA,Pbcn,AB2_oP36_60_cd_3d:Hf-O,36.0,"Invalid WP multiplicities - AB2_oP36_60_4c5d_9d:Hf-O, expected Hf7O9 to be HfO2" +mp-1858,HfO2,-10.6133875733,-3.9965320892,0.0241271475,-3.9965320892,GGA,Pbca,AB2_oP24_61_c_2c:Hf-O,24.0,AB2_oP24_61_c_2c:Hf-O +mp-775757,HfO2,-10.6278845329,-4.0110290487,0.0096301879,-4.0110290487,GGA,Pbca,AB2_oP24_61_c_2c:Hf-O,24.0,"Invalid WP multiplicities - AB2_oP24_61_c_5c:Hf-O, expected HfO5 to be HfO2" +mp-741,HfO2,-10.4982318992,-3.881376415,0.1392828217,-3.881376415,GGA,Pnma,AB2_oP12_62_c_2c:Hf-O,12.0,AB2_oP12_62_c_2c:Hf-O +mp-776532,HfO2,-10.6126785067,-3.9958230225,0.0248362142,-3.9958230225,GGA,P4_2/mnm,AB2_tP6_136_a_f:Hf-O,6.0,AB2_tP6_136_a_f:Hf-O +mp-1018721,HfO2,-10.5827415517,-3.9658860675,0.0547731692,-3.9658860675,GGA,P4_2/nmc,AB2_tP6_137_a_d:Hf-O,6.0,AB2_tP6_137_a_d:Hf-O +mp-550893,HfO2,-10.54878655,-3.9319310658,0.0887281708,-3.9319310658,GGA,Fm-3m,AB2_cF12_225_a_c:Hf-O,3.0,AB2_cF12_225_a_c:Hf-O +mp-1194318,Yb3O4,-6.4995924025,-3.0130810189,0.0986468191,0.0986468191,GGA,Pnma,A4B3_oP28_62_4c_3c:O-Yb,,A4B3_oP28_62_4c_3c:O-Yb +mp-1178654,YbO3,-5.4016931262,-1.3067745228,0.5084000494,0.5084000494,GGA,P2_1/m,A3B_mP8_11_3e_e:O-Yb,,"Invalid WP multiplicities - A3B_mP8_11_6e_e:O-Yb, expected YbO6 to be YbO3" +mp-1206160,YbO3,-5.5100224037,-1.4151038003,0.4000707719,0.4000707719,GGA,P6_3/mmc,A3B_hP8_194_h_c:O-Yb,,A3B_hP8_194_h_c:O-Yb +mp-1178667,YbO2,-5.89760982,-2.0866145858,0.3336181771,0.3336181771,GGA,P-42_1m,A2B_tP12_113_ace_e:O-Yb,,A2B_tP12_113_ace_e:O-Yb +mp-864801,YbO2,-6.050327295,-2.2393320608,0.1809007021,0.1809007021,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Yb,,A2B_tP6_136_f_a:O-Yb +mp-1216,YbO,-6.87349764,-3.6303491444,0.0,-0.9939032528,GGA,Fm-3m,AB_cF8_225_a_b:O-Yb,,AB_cF8_225_a_b:O-Yb +mp-1215902,Yb3O7,-5.5576079485,-1.6330433666,0.54516612,0.54516612,GGA,P2_1/m,A7B3_mP20_11_7e_3e:O-Yb,,"Invalid WP multiplicities - A7B3_mP20_11_11e_5e:O-Yb, expected Yb5O11 to be Yb3O7" +mp-780387,YbHfO3,-9.239259488,-3.9718867993,0.0,-0.1073515995,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hf-O-Yb,,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Hf-O-Yb, expected YbHfO7 to be YbHfO3" +mp-1196954,Yb2O3,-6.2831616273,-2.6993050885,0.204974227,0.204974227,GGA,I2_13,A3B2_cI80_199_2c_a2b:O-Yb,,A3B2_cI80_199_2c_a2b:O-Yb +mp-2814,Yb2O3,-6.2840414413,-2.7001849025,0.204094413,0.204094413,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Yb,,A3B2_cI80_206_e_ad:O-Yb +mp-1198013,Gd2USe5,-8.99875075,-1.8833492652,0.0214201001,0.0214201001,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Gd-Se-U,32.0,A2B5C_oP32_62_d_3cd_c:Gd-Se-U +mp-1184801,GdU3,-11.46503164,0.5225564275,0.5225564275,0.5225564275,GGA,I4/mmm,AB3_tI8_139_a_bd:Gd-U,4.0,"Invalid WP multiplicities - AB3_tI8_139_a_b2d:Gd-U, expected GdU5 to be GdU3" +mp-1247172,Bi4Se3N2,-4.98629381,-0.2615514986,0.1277579233,0.1277579233,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Bi-N-Se,9.0,A4B2C3_mC18_12_2i_i_ai:Bi-N-Se +mp-1246357,Bi4Se3N2,-4.8802122383,-0.1554699269,0.233839495,0.233839495,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Bi-N-Se,18.0,A4B2C3_oP18_58_2g_g_ag:Bi-N-Se +mp-1246300,Bi4Se3N2,-4.9106860569,-0.1859437455,0.2033656764,0.2033656764,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Bi-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:Bi-N-Se +mp-1798334,BiN,-5.61821388,0.4702781475,0.4702781475,0.4702781475,GGA,P2_1,AB_mP4_4_a_a:Bi-N,4.0,AB_aP4_1_2a_2a:Bi-N +mp-1445941,BiN,-5.618300275,0.4701917525,0.4701917525,0.4701917525,GGA,Cmc2_1,AB_oC8_36_a_a:Bi-N,4.0,AB_oC8_36_a_a:Bi-N +mp-1420858,BiN,-4.959351785,1.1291402425,1.1291402425,1.1291402425,GGA,Pm-3m,AB_cP2_221_a_b:Bi-N,2.0,AB_cP2_221_a_b:Bi-N +mp-22876,CsI3,-2.4835233244,-1.1546479689,0.0,-0.0121867548,GGA,Pnma,AB3_oP16_62_c_3c:Cs-I,16.0,AB3_oP16_62_c_3c:Cs-I +mp-1078801,CsI,-2.9418212688,-1.7574369077,0.0033198813,-0.8121306347,GGA,Pmmn,AB_oP4_59_a_b:Cs-I,8.0,AB_oP4_59_a_b:Cs-I +mp-1444738,CsI,-2.9442043175,-1.7598199565,0.0009368325,-0.8145136834000001,GGA,Pmmn,AB_oP4_59_a_b:Cs-I,4.0,AB_oP4_59_a_b:Cs-I +mp-1079694,CsI,-2.8320062825,-1.6476219215,0.1131348675,-0.7023156484,GGA,Pnma,AB_oP8_62_c_c:Cs-I,8.0,AB_oP8_62_c_c:Cs-I +mp-1056920,CsI,-2.91268864,-1.728304279,0.03245251,-0.7829980059,GGA,Pm-3m,AB_cP2_221_a_b:Cs-I,2.0,AB_cP2_221_a_b:Cs-I +mp-614603,CsI,-2.94514115,-1.7607567890000002,0.0,-0.8154505159000001,GGA,Fm-3m,AB_cF8_225_a_b:Cs-I,2.0,AB_cF8_225_a_b:Cs-I +mp-23266,GeI4,-2.7301158155,-0.6268171645,0.0,-0.2500244395,GGA,Pa-3,AB4_cP40_205_c_cd:Ge-I,40.0,AB4_cP40_205_c_cd:Ge-I +mp-642690,CsGeI3,-3.081577474,-1.0938716186,0.008639774,-0.012776178,GGA,Cm,ABC3_mC10_8_a_a_ab:Cs-Ge-I,5.0,ABC3_mC10_8_a_a_ab:Cs-Ge-I +mp-28377,CsGeI3,-3.090217248,-1.1025113926,0.0,-0.021415952,GGA,R3m,ABC3_hR15_160_a_a_b:Cs-Ge-I,5.0,ABC3_hR15_160_a_a_b:Cs-Ge-I +mp-571011,CsI4,-2.3765756535,-1.0188020991,0.0,-0.095083724,GGA,P2_1/c,AB4_mP20_14_e_4e:Cs-I,20.0,AB4_mP20_14_e_4e:Cs-I +mp-1184038,Cs3I,-1.7758579438000002,-0.7359645772000001,0.1444138173,0.1444138173,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-I,8.0,A3B_hP8_194_h_c:Cs-I +mp-27922,GeI2,-3.1507961356,-0.6275426172,0.0004452578,-0.1051949801,GGA,P-3m1,AB2_hP9_164_ad_c2d:Ge-I,9.0,AB2_hR9_166_a_c:Ge-I +mp-1540935,GeI2,-3.1512413933,-0.6279878750000001,0.0,-0.1056402379,GGA,R-3m,AB2_hR9_166_a_c:Ge-I,9.0,AB2_hR9_166_a_c:Ge-I +mp-567677,GeI2,-3.03245089,-0.5091973717,0.1187905033,0.0131502654,GGA,P-6m2,AB2_hP3_187_a_h:Ge-I,3.0,AB2_hP3_187_a_h:Ge-I +mp-23237,BiF3,-5.1847846075,-2.7910530994,0.0,-0.6131362781,GGA,Pnma,AB3_oP16_62_c_cd:Bi-F,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:Bi-F, expected BiF5 to be BiF3" +mp-685136,BiF3,-5.1133835037,-2.7196519956,0.0714011038,-0.5417351744000001,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Bi-F,8.0,AB3_hP8_194_c_bf:Bi-F +mp-557466,BiF3,-4.9170489806,-2.5233174725,0.2677356269,-0.3454006513,GGA,P-43m,AB3_cP16_215_e_abcde:Bi-F,16.0,"Invalid WP multiplicities - AB3_cF16_225_a_3b3c:Bi-F, expected BiF9 to be BiF3" +mp-23301,BiF3,-4.9139629750000005,-2.5202314669,0.2708216325,-0.3423146456,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-F,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Bi-F, expected BiF5 to be BiF3" +mp-1880,SbF3,-5.15346678,-2.6876072444,0.0,-0.1021495881,GGA,Ama2,A3B_oC16_40_bc_b:F-Sb,8.0,A3B_oC16_40_bc_b:F-Sb +mp-28180,Sb4F15,-5.0473608105,-2.6690350488,0.0011907343,0.0011907343,GGA,Pca2_1,A15B4_oP152_29_30a_8a:F-Sb,152.0,A15B4_oP152_29_30a_8a:F-Sb +mp-1396980,BiF4,-4.6203922760000005,-2.323111276,0.075870751,0.075870751,GGA,I4/mmm,AB4_tI20_139_ab_m:Bi-F,10.0,AB4_tI20_139_ab_m:Bi-F +mp-734819,SbF6,-4.4190248486,-2.190756985,0.064706903,0.064706903,GGA,P2_12_12_1,A6B_oP56_19_12a_2a:F-Sb,56.0,A6B_oP56_19_12a_2a:F-Sb +mp-28294,Sb11F43,-5.0265469228,-2.6633504553,0.0004647486,0.0004647486,GGA,P2_1/c,A43B11_mP108_14_a21e_c5e:F-Sb,108.0,A43B11_mP108_14_a21e_c5e:F-Sb +mp-1227565,BiSb3F20,-4.7404982662,-2.4714535912,0.0,-0.0055704964,GGA,C2,AB20C3_mC48_5_a_10c_ac:Bi-F-Sb,24.0,"Invalid WP multiplicities - AB20C3_mC48_5_a_14c_ac:Bi-F-Sb, expected BiSb3F28 to be BiSb3F20" +mp-1831269,SbF5,-4.8555160225,-2.5744500096,0.0008603462,-0.1636613497,GGA,P-1,A5B_aP12_2_5i_bc:F-Sb,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_c:F-Sb, expected SbF7 to be SbF5" +mp-1399809,SbF5,-3.5374935083,-1.2564274954,1.3188828604,1.1543611644,GGA,P-1,A5B_aP12_2_5i_bd:F-Sb,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_bd:F-Sb, expected SbF9 to be SbF5" +mp-1341935,SbF5,-4.8563763687,-2.5753103558,0.0,-0.164521696,GGA,P2_1/c,A5B_mP24_14_5e_e:F-Sb,24.0,A5B_mP24_14_5e_e:F-Sb +mp-1046542,SbF5,-4.5945306017,-2.3134645887,0.2618457671,0.0973240711,GGA,Cmcm,A5B_oC24_63_c2f_a:F-Sb,12.0,"Invalid WP multiplicities - A5B_oC24_63_c3f_a:F-Sb, expected SbF7 to be SbF5" +mp-1389909,SbF5,-4.4984545567,-2.2173885437,0.3579218121,0.1934001161,GGA,Immm,A5B_oI12_71_bfg_a:F-Sb,6.0,A5B_oI12_71_bfg_a:F-Sb +mp-1104255,Sb2F13,-4.3346739047,-2.1275253008,0.0,-0.0672770162,GGA,P-1,A13B2_aP15_2_a6i_i:F-Sb,15.0,A13B2_aP15_2_a6i_i:F-Sb +mp-739212,Sb2F13,-1.1666227847,1.0405258192,3.16805112,3.1007741038,GGA,P-1,A13B2_aP15_2_a6i_i:F-Sb,15.0,A13B2_aP15_2_a6i_i:F-Sb +mp-1433590,Sb2F13,-2.9861047273,-0.7789561235,1.3485691773,1.2812921612,GGA,P-1,A13B2_aP15_2_a6i_i:F-Sb,15.0,A13B2_aP15_2_a6i_i:F-Sb +mp-28062,Sb2F7,-5.0854770419,-2.6812153472,0.0,-0.0066774257,GGA,P2_1/m,A7B2_mP36_11_4e5f_2ef:F-Sb,36.0,"Invalid WP multiplicities - A7B2_mP36_11_4e6f_2ef:F-Sb, expected SbF4 to be Sb2F7" +mp-1443513,SbF4,-4.832295805,-2.477312383,0.1830227923,0.1794344738,GGA,P1,A4B_aP10_1_8a_2a:F-Sb,10.0,A4B_aP10_1_8a_2a:F-Sb +mp-556425,SbF4,-5.0153185972,-2.6603351752,0.0,-0.0035883184,GGA,P2_1/c,A4B_mP80_14_16e_4e:F-Sb,80.0,"Invalid WP multiplicities - A4B_mP80_14_61e_13e:F-Sb, expected Sb13F61 to be SbF4" +mp-29369,Sb7F29,-4.9895053128,-2.646841459,0.0,-0.000677087,GGA,P2_1/c,A29B7_mP144_14_29e_7e:F-Sb,144.0,A29B7_mP144_14_29e_7e:F-Sb +mp-1881158,BiF5,-4.3646781633,-2.1316975021,0.00590381,-0.1957714387,GGA,P-1,AB5_aP12_2_bc_5i:Bi-F,12.0,"Invalid WP multiplicities - AB5_mC24_15_c_e3f:Bi-F, expected BiF7 to be BiF5" +mp-1404622,BiF5,-3.5058284992,-1.2728478379,0.8647534742,0.6630782254,GGA,P-1,AB5_aP12_2_bd_5i:Bi-F,12.0,"Invalid WP multiplicities - AB5_aP12_2_bd_9i:Bi-F, expected BiF9 to be BiF5" +mp-1369219,BiF5,-4.3660893712,-2.13310871,0.0044926021,-0.1971826467,GGA,P2_1/c,AB5_mP24_14_e_5e:Bi-F,24.0,AB5_mP24_14_e_5e:Bi-F +mp-27743,BiF5,-4.3705819733,-2.1376013121,0.0,-0.2016752487,GGA,I4/m,AB5_tI12_87_a_bh:Bi-F,6.0,"Invalid WP multiplicities - AB5_tI12_87_a_b2h:Bi-F, expected BiF9 to be BiF5" +mp-1047384,BiF5,-4.2439293125,-2.0109486513,0.1266526608,-0.0750225879,GGA,Cmcm,AB5_oC24_63_a_c2f:Bi-F,12.0,"Invalid WP multiplicities - AB5_oC24_63_a_c3f:Bi-F, expected BiF7 to be BiF5" +mp-1411551,BiF5,-4.1803147233,-1.9473340621,0.19026725,-0.0114079987,GGA,Immm,AB5_oI12_71_a_bfg:Bi-F,6.0,AB5_oI12_71_a_bfg:Bi-F +mp-1220036,P7Rh12,-7.2532602795,-0.6077438591000001,0.1256918725,0.1256918725,GGA,P-6,A7B12_hP19_174_ajk_2j2k:P-Rh,19.0,A7B12_hP19_174_ajk_2j2k:P-Rh +mp-2390,YbP,-4.210417155,-0.7339617617,0.0,-0.32772297,GGA,Fm-3m,AB_cF8_225_a_b:P-Yb,,AB_cF8_225_a_b:P-Yb +mp-979984,YbP3,-4.6052217825,-0.1603428325,0.316250525,0.316250525,GGA,Pm-3m,A3B_cP4_221_c_a:P-Yb,,A3B_cP4_221_c_a:P-Yb +mp-1187991,Yb3P,-2.906117605,-0.3980857683,0.0197292,-0.0311048875,GGA,P6_3/mmc,AB3_hP8_194_c_h:P-Yb,,AB3_hP8_194_c_h:P-Yb +mp-1187909,Yb3P,-2.925846805,-0.4178149683,0.0,-0.0508340875,GGA,Pm-3m,AB3_cP4_221_a_c:P-Yb,,AB3_cP4_221_a_c:P-Yb +mp-571006,YbP5,-5.1572954346,-0.3896086324,0.0011952571,-0.1449547118,GGA,P2_1,A5B_mP24_4_10a_2a:P-Yb,,"Invalid WP multiplicities - A5B_mP24_4_19a_4a:P-Yb, expected Yb4P19 to be YbP5" +mp-9847,YbP5,-5.1584906917,-0.3908038894,0.0,-0.1461499689,GGA,P2_1/m,A5B_mP12_11_e2f_e:P-Yb,,A5B_mP12_11_e2f_e:P-Yb +mp-1215912,Yb2P7Rh12,-7.0663552048,-0.9071157502,0.0,-0.0144081022,GGA,P-3,A7B12C2_hP21_147_ag_2g_d:P-Rh-Yb,,A7B12C2_hP21_147_ag_2g_d:P-Rh-Yb +mp-28056,P2Rh3,-7.250937016,-0.6670312913,0.0566098757,0.0566098757,GGA,P-4m2,A2B3_tP5_115_g_ag:P-Rh,5.0,A2B3_tP5_115_g_ag:P-Rh +mp-1103449,Yb(P2Rh3)2,-7.0070134527,-0.881680223,0.0184365325,0.0184365325,GGA,P-6,A4B6C_hP11_174_ak_jk_c:P-Rh-Yb,,A4B6C_hP11_174_ak_jk_c:P-Rh-Yb +mp-621581,P3Rh4,-7.2278534014,-0.6996906871,0.015088731,0.015088731,GGA,Pnma,A3B4_oP28_62_3c_4c:P-Rh,28.0,"Invalid WP multiplicities - A3B4_oP28_62_10c_14c:P-Rh, expected P5Rh7 to be P3Rh4" +mp-1215876,Yb6P19Rh30,-6.9936978756,-0.9387954501,0.0,-0.0428169945,GGA,P3,A19B30C6_hP55_143_a6d_10d_2d:P-Rh-Yb,,A19B30C6_hP55_143_a6d_10d_2d:P-Rh-Yb +mp-2732,PRh2,-7.45829133,-0.7443185811,0.0,-0.1884591717,GGA,Fm-3m,AB2_cF12_225_a_c:P-Rh,3.0,AB2_cF12_225_a_c:P-Rh +mp-1357,P3Rh,-6.4787015975,-0.57764775,0.0,-0.0969491171,GGA,Im-3,A3B_cI32_204_g_c:P-Rh,16.0,A3B_cI32_204_g_c:P-Rh +mp-15953,P2Rh,-6.7045691383,-0.6409315106,0.0,-0.0299495943,GGA,P2_1/c,A2B_mP12_14_2e_e:P-Rh,12.0,A2B_mP12_14_2e_e:P-Rh +mp-1182169,BaO6,-5.41347475,-0.8993165775,0.0394772121,0.0394772121,GGA,C2/c,AB6_mC28_15_e_3f:Ba-O,14.0,AB6_mC28_15_e_3f:Ba-O +mp-1198787,BaO6,-5.4094370518,-0.8952788793,0.0435149104,0.0435149104,GGA,Pbca,AB6_oP56_61_c_6c:Ba-O,56.0,AB6_oP56_61_c_6c:Ba-O +mp-1206655,BaO3,-5.3938241937,-1.2040639253,0.4278688409,0.4278688409,GGA,Pmc2_1,AB3_oP8_26_a_a2b:Ba-O,8.0,AB3_oP8_26_a_a2b:Ba-O +mp-1183327,Ba2Tc2O5,-7.6534424022,-2.1764789215,0.1932701881,0.1932701881,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Ba-O-Tc,9.0,A2B5C2_tP9_123_ab_ci_h:Ba-O-Tc +mp-555174,BaTcO3,-7.8910644213,-2.4671284176,0.0,-0.2068891388,GGA,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Ba-O-Tc,30.0,"Invalid WP multiplicities - AB3C_hP30_194_2b2f_4h5k_af:Ba-O-Tc, expected Ba2TcO14 to be BaTcO3" +mp-33137,TcO2,-8.6355516842,-1.884212895,0.0,-0.3411259323,GGA,P2_1/c,A2B_mP12_14_2e_e:O-Tc,12.0,"Invalid WP multiplicities - A2B_mP12_14_3e_e:O-Tc, expected TcO3 to be TcO2" +mp-1205302,TcO2,-8.58721502,-1.8358762308,0.0483366642,-0.2927892681,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Tc,6.0,A2B_tP6_136_f_a:O-Tc +mp-1182720,BaO10,-5.0556525223,-0.3842105175,0.2185158895,0.207891535,GGA,P2_1/c,AB10_mP44_14_e_10e:Ba-O,44.0,AB10_mP44_14_e_10e:Ba-O +mp-1198148,BaO10,-5.0917786573,-0.4203366525,0.1823897545,0.1717653999999999,GGA,P2_1/c,AB10_mP44_14_e_10e:Ba-O,44.0,AB10_mP44_14_e_10e:Ba-O +mp-1182404,BaO10,-5.2329765982,-0.5615345934,0.0411918136,0.0305674591,GGA,P4/mcc,AB10_tP22_124_a_hn:Ba-O,22.0,AB10_tP22_124_a_hn:Ba-O +mp-1182511,BaO10,-5.2070877282,-0.5356457234,0.0670806836,0.0564563291,GGA,P4/mcc,AB10_tP22_124_b_hn:Ba-O,22.0,AB10_tP22_124_b_hn:Ba-O +mp-1182576,BaO10,-5.2741684118,-0.602726407,0.0,-0.0106243545,GGA,P4/mcc,AB10_tP22_124_a_hn:Ba-O,22.0,AB10_tP22_124_a_hn:Ba-O +mp-1244871,BaO,-6.0527436854,-2.6199118598,0.2043669946,-0.9916312154,GGA,P1,AB_aP100_1_50a_50a:Ba-O,100.0,AB_aP100_1_50a_50a:Ba-O +mp-1245192,BaO,-6.0511338228,-2.6183019972,0.2059768572,-0.9900213528,GGA,P1,AB_aP100_1_50a_50a:Ba-O,100.0,AB_aP100_1_50a_50a:Ba-O +mp-1245276,BaO,-6.0277431641,-2.5949113385,0.2293675159,-0.9666306941,GGA,P1,AB_aP100_1_50a_50a:Ba-O,100.0,AB_aP100_1_50a_50a:Ba-O +mp-1245298,BaO,-6.058244131,-2.6254123054000003,0.198866549,-0.997131661,GGA,P1,AB_aP100_1_50a_50a:Ba-O,100.0,AB_aP100_1_50a_50a:Ba-O +mp-1245311,BaO,-6.0856582748,-2.6528264492,0.1714524052,-1.0245458048,GGA,P1,AB_aP100_1_50a_50a:Ba-O,100.0,AB_aP100_1_50a_50a:Ba-O +mp-1178531,BaO,-6.2371689992,-2.8043371736,0.0199416808,-1.1760565292,GGA,Pbcm,AB_oP64_57_cd3e_4e:Ba-O,64.0,"Invalid WP multiplicities - AB_oP64_57_2c3d12e_23e:Ba-O, expected Ba29O46 to be BaO" +mp-776658,BaO,-6.2379708437,-2.8051390181,0.0191398362,-1.1768583737,GGA,Cmcm,AB_oC64_63_ac3f_4f:Ba-O,32.0,"Invalid WP multiplicities - AB_oC64_63_a2c6f_12f:Ba-O, expected Ba5O8 to be BaO" +mp-7487,BaO,-6.1254460375,-2.6926142119,0.1316646425,-1.0643335675,GGA,P4/nmm,AB_tP4_129_c_a:Ba-O,4.0,AB_tP4_129_c_a:Ba-O +mp-1178514,BaO,-6.2395734225,-2.8067415969,0.0175372575,-1.1784609525,GGA,P6_3mc,AB_hP4_186_b_b:Ba-O,4.0,AB_hP4_186_b_b:Ba-O +mp-1008500,BaO,-6.2313450725,-2.7985132469,0.0257656075,-1.1702326025,GGA,P6_3/mmc,AB_hP4_194_c_a:Ba-O,4.0,AB_hP4_194_c_a:Ba-O +mp-1342,BaO,-6.25711068,-2.8242788544,0.0,-1.19599821,GGA,Fm-3m,AB_cF8_225_a_b:Ba-O,2.0,AB_cF8_225_a_b:Ba-O +mp-27485,Tc2O7,-7.9500568864,-1.8002681232,0.0,-0.5441261932,GGA,Pbca,A7B2_oP36_61_a3c_c:O-Tc,36.0,A7B2_oP36_61_a3c_c:O-Tc +mp-1182327,BaO4,-5.5452396355,-1.2040936785,0.104374232,0.104374232,GGA,P2_1/c,AB4_mP20_14_e_4e:Ba-O,20.0,AB4_mP20_14_e_4e:Ba-O +mp-1182433,BaO4,-5.530113439,-1.188967482,0.1195004285,0.1195004285,GGA,P2_1/c,AB4_mP20_14_e_4e:Ba-O,20.0,AB4_mP20_14_e_4e:Ba-O +mp-726415,BaO2,-6.0668809167,-2.1294301292,0.04161073,-0.203467004,GGA,P2_1/c,AB2_mP24_14_2e_4e:Ba-O,24.0,AB2_mP24_14_2e_4e:Ba-O +mp-1182141,BaO2,-5.6897511146,-1.7523003271,0.4187405321,0.1736627981,GGA,P2_1/c,AB2_mP24_14_2e_4e:Ba-O,24.0,AB2_mP24_14_2e_4e:Ba-O +mp-1182259,BaO2,-5.6750921612,-1.7376413737,0.4333994854,0.1883217514,GGA,P2_1/c,AB2_mP24_14_2e_4e:Ba-O,24.0,AB2_mP24_14_2e_4e:Ba-O +mp-1182238,BaO2,-5.6900943825,-1.752643595,0.4183972642,0.1733195302,GGA,Pnma,AB2_oP24_62_2c_2cd:Ba-O,24.0,AB2_mP24_14_2e_4e:Ba-O +mp-1006878,BaO2,-5.98847677,-2.0510259825,0.1200148767,-0.1250628573,GGA,Cmmm,AB2_oC6_65_a_h:Ba-O,3.0,AB2_oC6_65_a_h:Ba-O +mp-1105,BaO2,-6.1084916467,-2.1710408592,0.0,-0.245077734,GGA,I4/mmm,AB2_tI6_139_a_e:Ba-O,3.0,AB2_tI6_139_a_e:Ba-O +mp-1214539,BaO5,-5.2565673613,-0.8144976119,0.2783270615,0.2783270615,GGA,Pnma,AB5_oP24_62_c_c2d:Ba-O,24.0,AB5_oP24_62_c_c2d:Ba-O +mp-1101810,Ge2W,-7.3656760975,0.0357192158,0.0357192158,0.0357192158,GGA,Pnma,A2B_oP12_62_2c_c:Ge-W,12.0,A2B_oP12_62_2c_c:Ge-W +mp-542595,Ge2W,-7.33603376,0.0653615533,0.0653615533,0.0653615533,GGA,I4/mmm,A2B_tI6_139_e_a:Ge-W,3.0,A2B_tI6_139_e_a:Ge-W +mp-1228701,Al4Ge2W3,-7.10931738,-0.0979007444,0.0,-0.0088318617,GGA,C2,A4B2C3_mC18_5_2ac_c_ac:Al-Ge-W,9.0,A4B2C3_mC18_5_2ac_c_ac:Al-Ge-W +mp-12524,Al2W,-6.8519239622,-0.0354966656,0.0931175611,0.0931175611,GGA,P6_422,A2B_hP9_181_i_c:Al-W,9.0,A2B_hP9_181_i_c:Al-W +mp-30336,Al4W,-5.740635986,-0.152549276,0.001787796,0.001787796,GGA,Cm,A4B_mC30_8_2a5b_ab:Al-W,15.0,A4B_mC30_8_2a5b_ab:Al-W +mp-1228562,Al3GeW2,-7.0628717939,-0.1002024931,0.0053766219,0.0053766219,GGA,P1,A3BC2_aP18_1_9a_3a_6a:Al-Ge-W,18.0,A3BC2_aP18_1_9a_3a_6a:Al-Ge-W +mp-30337,Al5W,-5.4417693467,-0.1607677833,0.0,-0.0276083602,GGA,P6_322,A5B_hP12_182_bcg_d:Al-W,12.0,A5B_hP12_182_bcg_d:Al-W +mp-11227,Al12W,-4.5351898338000005,-0.0809559731,0.0,-0.0067554577,GGA,Im-3,A12B_cI26_204_g_a:Al-W,13.0,A12B_cI26_204_g_a:Al-W +mp-1214809,Al6GeW,-5.1093844825,-0.1025578494,0.0195862194,0.0195862194,GGA,Pm-3,A6BC_cP8_200_f_a_b:Al-Ge-W,8.0,A6BC_cP8_200_f_a_b:Al-Ge-W +mp-1189576,Ge3W5,-9.6433653281,0.1891015112,0.1891015112,0.1891015112,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-W,16.0,A3B5_tI32_140_ah_bk:Ge-W +mp-1212535,Ge3W5,-9.4789430775,0.3535237619,0.3535237619,0.3535237619,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Ge-W,16.0,A3B5_tI32_140_ah_cl:Ge-W +mp-22874,PBr5,-3.0480892408,-0.8516818814,0.0,-0.0385101498,GGA,Pbcm,A5B_oP24_57_3de_d:Br-P,24.0,A5B_oP24_57_3de_d:Br-P +mp-647343,PBr7,-2.8298295031,-0.7942669010000001,0.0,-0.15550549,GGA,Pnma,A7B_oP32_62_5cd_c:Br-P,32.0,"Invalid WP multiplicities - A7B_oP32_62_19c8d_c:Br-P, expected PBr35 to be PBr7" +mp-27257,PBr3,-3.3690782669,-0.8509813927000001,0.0,-0.0844676995,GGA,Pnma,A3B_oP16_62_cd_c:Br-P,16.0,A3B_oP16_62_cd_c:Br-P +mp-9848,PrP5,-5.8402778017,-0.5323747536,0.0,-0.0218387196,GGA,P2_1/m,A5B_mP12_11_e2f_e:P-Pr,12.0,A5B_mP12_11_e2f_e:P-Pr +mp-1209777,Pr3PBr3,-5.4211540068,-1.933281898,0.0,-0.1274369086,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-P-Pr,28.0,A3BC3_cI56_214_h_a_g:Br-P-Pr +mp-1179985,PBr,-3.798160135,-0.3149947167,0.2523262118,0.2523262118,GGA,P-1,AB_aP4_2_i_i:Br-P,4.0,AB_aP4_2_i_i:Br-P +mp-1064459,PBr,-2.718184045,0.7649813733,1.3323023018,1.3323023018,GGA,Pm-3m,AB_cP2_221_a_b:Br-P,2.0,AB_cP2_221_a_b:Br-P +mp-601,PrP,-6.607377375,-1.5102732442,0.0,-0.7444691931,GGA,Fm-3m,AB_cF8_225_a_b:P-Pr,2.0,AB_cF8_225_a_b:P-Pr +mp-1095637,PrP2,-6.2235756575,-1.0210720681,0.0002519308,0.0002519308,GGA,P2_1/c,A2B_mP12_14_2e_e:P-Pr,12.0,A2B_mP12_14_2e_e:P-Pr +mp-1209830,PBr2,-1.9908204467,0.8489659422,1.6053938469,1.6053938469,GGA,P4/mmm,A2B_tP3_123_g_a:Br-P,3.0,A2B_tP3_123_g_a:Br-P +mp-978114,Sn5O6,-6.2836192641,-1.7628927602000002,0.0,-0.0021928514,GGA,P2_1/c,A6B5_mP22_14_3e_a2e:O-Sn,22.0,"Invalid WP multiplicities - A6B5_mP22_14_6e_2a7e:O-Sn, expected Sn4O3 to be Sn5O6" +mp-1206244,LuO2,-8.04994187,-3.2451658892,0.1922022113,0.1922022113,GGA,P2_1/m,AB2_mP6_11_e_2e:Lu-O,6.0,AB2_mP6_11_e_2e:Lu-O +mp-1244894,SnO2,-5.9607147505,-1.3263983247,0.7819318762,0.1258872859,GGA,P1,A2B_aP102_1_68a_34a:O-Sn,102.0,A2B_aP102_1_68a_34a:O-Sn +mp-1244935,SnO2,-6.058284241,-1.4239678152000002,0.6843623857000001,0.0283177954,GGA,P1,A2B_aP90_1_60a_30a:O-Sn,90.0,A2B_aP90_1_60a_30a:O-Sn +mp-1244941,SnO2,-5.998234736,-1.3639183101,0.7444118907,0.0883673004,GGA,P1,A2B_aP102_1_68a_34a:O-Sn,102.0,A2B_aP102_1_68a_34a:O-Sn +mp-1245027,SnO2,-6.101231956,-1.4669155302,0.6414146707,-0.0146299196,GGA,P1,A2B_aP90_1_60a_30a:O-Sn,90.0,A2B_aP90_1_60a_30a:O-Sn +mp-1245116,SnO2,-6.0774147132,-1.4430982874,0.6652319134,0.0091873232,GGA,P1,A2B_aP90_1_60a_30a:O-Sn,90.0,A2B_aP90_1_60a_30a:O-Sn +mp-1245126,SnO2,-6.0093098392,-1.3749934134,0.7333367875,0.0772921972,GGA,P1,A2B_aP102_1_68a_34a:O-Sn,102.0,A2B_aP102_1_68a_34a:O-Sn +mp-1245178,SnO2,-6.4684457237,-1.8341292978,0.274200903,-0.3818436872,GGA,P1,A2B_aP90_1_60a_30a:O-Sn,90.0,A2B_aP90_1_60a_30a:O-Sn +mp-1245203,SnO2,-6.0935883782,-1.4592719524,0.6490582484,-0.0069863418,GGA,P1,A2B_aP90_1_60a_30a:O-Sn,90.0,A2B_aP90_1_60a_30a:O-Sn +mp-1245282,SnO2,-6.2396105626,-1.6052941368,0.503036064,-0.1530085262,GGA,P1,A2B_aP102_1_68a_34a:O-Sn,102.0,A2B_aP102_1_68a_34a:O-Sn +mp-1352191,SnO2,-6.5197372756,-1.8854208498,0.222909351,-0.4331352392,GGA,Cm,A2B_mC96_8_16a8b_8a4b:O-Sn,48.0,"Invalid WP multiplicities - A2B_mC96_8_16a16b_8a7b:O-Sn, expected Sn11O24 to be SnO2" +mp-550172,SnO2,-6.74039577,-2.1060793442,0.0022508567,-0.6537937336,GGA,Pnnm,A2B_oP6_58_g_a:O-Sn,6.0,A2B_oP6_58_g_a:O-Sn +mp-12978,SnO2,-6.7245009133,-2.0901844875,0.0181457133,-0.6378988769,GGA,Pbcn,A2B_oP12_60_d_c:O-Sn,12.0,A2B_oP12_60_d_c:O-Sn +mp-555487,SnO2,-6.7306591714,-2.0963427456,0.0119874553,-0.6440571350000001,GGA,Pbcn,A2B_oP36_60_3d_cd:O-Sn,36.0,"Invalid WP multiplicities - A2B_oP36_60_14d_4c4d:O-Sn, expected Sn3O7 to be SnO2" +mp-560417,SnO2,-6.6085454254,-1.9742289996,0.1341012012,-0.521943389,GGA,Pbca,A2B_oP24_61_2c_c:O-Sn,24.0,"Invalid WP multiplicities - A2B_oP24_61_8c_c:O-Sn, expected SnO8 to be SnO2" +mp-1374892,SnO2,-6.6571479029,-2.0228314771,0.0854987237,-0.5705458665,GGA,Pnma,A2B_oP24_62_4c_2c:O-Sn,24.0,A2B_oP24_62_4c_2c:O-Sn +mp-562610,SnO2,-6.4562285667,-1.8219121408,0.28641806,-0.3696265302,GGA,Pnma,A2B_oP12_62_2c_c:O-Sn,12.0,"Invalid WP multiplicities - A2B_oP12_62_7c_c:O-Sn, expected SnO7 to be SnO2" +mp-1047381,SnO2,-6.4377681783,-1.8034517525,0.3048784483,-0.3511661419,GGA,Cmcm,A2B_oC24_63_acf_f:O-Sn,12.0,A2B_oC24_63_acf_f:O-Sn +mp-1041584,SnO2,-6.7422823208,-2.107965895,0.0003643058,-0.6556802844,GGA,Imma,A2B_oI24_74_hi_ae:O-Sn,12.0,A2B_tP6_136_f_a:O-Sn +mp-1384340,SnO2,-6.6740556600000005,-2.0397392342,0.0685909667,-0.5874536236,GGA,I4/m,A2B_tI24_87_2h_h:O-Sn,12.0,A2B_tI24_87_2h_h:O-Sn +mp-856,SnO2,-6.7426466267,-2.1083302008,0.0,-0.6560445902,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Sn,6.0,A2B_tP6_136_f_a:O-Sn +mp-755071,SnO2,-6.6856280467,-2.0513116208,0.05701858,-0.5990260102,GGA,I4_1/amd,A2B_tI12_141_e_a:O-Sn,6.0,A2B_tI12_141_e_a:O-Sn +mp-1359814,SnO2,-6.4860871858,-1.85177076,0.2565594408,-0.3994851494,GGA,P3m1,A2B_hP36_156_2a2b2c6d_2ab3d:O-Sn,36.0,"Invalid WP multiplicities - A2B_hP36_156_2a2b2c15d_2ab7d:O-Sn, expected Sn8O17 to be SnO2" +mp-1356217,SnO2,-6.4445327822,-1.8102163564,0.2981138444,-0.3579307458,GGA,P3m1,A2B_hP36_156_2a2b2c6d_2ab3d:O-Sn,36.0,"Invalid WP multiplicities - A2B_hP36_156_2a2b2c13d_2ab7d:O-Sn, expected Sn8O15 to be SnO2" +mp-1044721,SnO2,-6.5852208225,-1.9509043967,0.1574258042,-0.4986187861,GGA,R3m,A2B_hR36_160_2a2b_ab:O-Sn,12.0,A2B_hR9_166_c_a:O-Sn +mp-1390618,SnO2,-6.5893701533,-1.9550537275,0.1532764733,-0.5027681169,GGA,R-3m,A2B_hR9_166_c_a:O-Sn,3.0,A2B_hR9_166_c_a:O-Sn +mp-1392145,SnO2,-4.88956628,-0.2552498542,1.8530803467,1.1970357564,GGA,P6_3/mmc,A2B_hP6_194_f_c:O-Sn,6.0,A2B_hP6_194_f_c:O-Sn +mp-1041984,SnO2,-6.58062014,-1.9463037142,0.1620264867,-0.4940181036,GGA,P6_3/mmc,A2B_hP6_194_f_a:O-Sn,6.0,A2B_hP6_194_f_a:O-Sn +mp-697,SnO2,-6.6420937175,-2.0077772917,0.1005529092,-0.5554916811,GGA,Pa-3,A2B_cP12_205_c_a:O-Sn,12.0,A2B_cP12_205_c_a:O-Sn +mp-12979,SnO2,-6.4969885633,-1.8626721375,0.2456580633,-0.4103865269,GGA,Fm-3m,A2B_cF12_225_c_a:O-Sn,3.0,A2B_cF12_225_c_a:O-Sn +mp-1401382,SnO2,-6.551175105,-1.9168586792,0.1914715217,-0.4645730686,GGA,Fd-3m,A2B_cF48_227_e_c:O-Sn,12.0,A2B_cF48_227_e_c:O-Sn +mp-1046850,Sn2O3,-6.2233693635,-1.6515273948,0.2668122137,0.2668122137,GGA,Cmcm,A3B2_oC40_63_ac2f_2f:O-Sn,20.0,A3B2_oC40_63_ac2f_2f:O-Sn +mp-1045856,Sn5O7,-6.174937715,-1.6187143605,0.2521275999,0.2521275999,GGA,Cmcm,A7B5_oC48_63_c3f_a2f:O-Sn,24.0,"Invalid WP multiplicities - A7B5_oC48_63_c3f_a3f:O-Sn, expected SnO to be Sn5O7" +mp-1104544,Sn3O4,-6.1251898771,-1.5801226757,0.2567923932,0.2567923932,GGA,P2/c,A4B3_mP14_13_2g_ag:O-Sn,14.0,A4B3_mP14_13_2g_ag:O-Sn +mp-1179450,Sn3O4,-6.0244305143,-1.4793633129,0.3575517561,0.3575517561,GGA,P4/mnc,A4B3_tP28_128_i_eh:O-Sn,28.0,A4B3_tP28_128_i_eh:O-Sn +mp-556477,Lu2O3,-8.8445356593,-4.0681422246,0.0566994959,-1.1474929243,GGA,C2/m,A2B3_mC30_12_3i_a4i:Lu-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_6i_a8i:Lu-O, expected Lu12O17 to be Lu2O3" +mp-13068,Lu2O3,-8.808745318,-4.0323518832,0.0924898372,-1.111702583,GGA,P-3m1,A2B3_hP5_164_d_ad:Lu-O,5.0,A2B3_hP5_164_d_ad:Lu-O +mp-1427,Lu2O3,-8.9012351552,-4.1248417205,0.0,-1.2041924203,GGA,Ia-3,A2B3_cI80_206_ad_e:Lu-O,40.0,A2B3_cI80_206_ad_e:Lu-O +mp-15170,Lu2Sn2O7,-7.7255444682,-3.0266475837,0.0,-0.0017212376,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Lu-O-Sn +mp-1219002,Sn3O8,-5.9622681027,-1.2711567159,0.4538407211,0.4538407211,GGA,Immm,A8B3_oI22_71_efl_ah:O-Sn,11.0,"Invalid WP multiplicities - A8B3_oI22_71_2e2fl_ah:O-Sn, expected SnO4 to be Sn3O8" +mp-1206688,Sn2O,-5.0058967467,-0.6839526062,0.40293976,0.40293976,GGA,P4/mmm,AB2_tP3_123_a_g:O-Sn,3.0,AB2_tP3_123_a_g:O-Sn +mp-1245076,SnO,-5.9187335395,-1.4406032564,0.189735293,0.1753817738,GGA,P1,AB_aP80_1_40a_40a:O-Sn,80.0,AB_aP80_1_40a_40a:O-Sn +mp-1245115,SnO,-5.8834740686,-1.4053437855,0.2249947639,0.2106412447,GGA,P1,AB_aP80_1_40a_40a:O-Sn,80.0,AB_aP80_1_40a_40a:O-Sn +mp-1245133,SnO,-5.8696391676,-1.3915088845,0.2388296649,0.2244761457,GGA,P1,AB_aP80_1_40a_40a:O-Sn,80.0,AB_aP80_1_40a_40a:O-Sn +mp-1245329,SnO,-5.9111583664000005,-1.4330280833,0.1973104661,0.182956947,GGA,P1,AB_aP80_1_40a_40a:O-Sn,80.0,AB_aP80_1_40a_40a:O-Sn +mp-545552,SnO,-6.0370326675,-1.5589023844,0.071436165,0.0570826458,GGA,Pmn2_1,AB_oP4_31_a_a:O-Sn,4.0,AB_oP4_31_a_a:O-Sn +mp-1078644,SnO,-5.98301922,-1.5048889369,0.1254496125,0.1110960933,GGA,Cmc2_1,AB_oC16_36_2a_2a:O-Sn,8.0,AB_oC16_36_2a_2a:O-Sn +mp-545820,SnO,-6.1076421737,-1.6295118906,0.0008266587,-0.0135268604,GGA,Cmce,AB_oC16_64_e_f:O-Sn,8.0,AB_oC16_64_e_f:O-Sn +mp-1065811,SnO,-5.664029055,-1.1858987719,0.4444397775,0.4300862583,GGA,P4/mmm,AB_tP2_123_a_c:O-Sn,2.0,AB_tP2_123_a_c:O-Sn +mp-2097,SnO,-6.1084688325,-1.6303385494,0.0,-0.0143535192,GGA,P4/nmm,AB_tP4_129_a_c:O-Sn,4.0,AB_tP4_129_a_c:O-Sn +mp-999142,SnO,-5.662973985,-1.1848437019,0.4454948475,0.4311413283,GGA,P4/nmm,AB_tP4_129_c_a:O-Sn,4.0,AB_tP4_129_c_a:O-Sn +mp-973457,LuO3,-6.8531545638,-2.0129004003,0.565125675,0.565125675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-O,8.0,AB3_hP8_194_c_h:Lu-O +mp-1021512,LuO3,-6.7741740325,-1.9339198691,0.6441062062,0.6441062062,GGA,Im-3,AB3_cI32_204_c_g:Lu-O,16.0,AB3_cI32_204_c_g:Lu-O +mp-567415,Nd2B5,-6.6481887646,-0.5148668048,0.0,-0.0134891406,GGA,C2/c,A5B2_mC56_15_5f_2f:B-Nd,28.0,"Invalid WP multiplicities - A5B2_mC56_15_15f_5f:B-Nd, expected NdB3 to be Nd2B5" +mp-1183263,BOs3,-9.3128760325,0.7774974827000001,0.8959248875,0.8959248875,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Os,8.0,AB3_hP8_194_c_h:B-Os +mp-1929,NdB6,-6.8816781857,-0.4753213204,0.0,-0.074219189,GGA,Pm-3m,A6B_cP7_221_e_b:B-Nd,7.0,A6B_cP7_221_e_b:B-Nd +mp-1080515,Nd(BOs)2,-8.549753063,-0.4334198962,0.0,-0.081660603,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Nd-Os,10.0,A2BC2_oF40_70_e_a_f:B-Nd-Os +mp-1215015,BOs,-8.7841450113,0.1692345892,0.4060893987,0.3805494729,GGA,P-1,AB_aP4_2_i_i:B-Os,8.0,AB_aP4_2_i_i:B-Os +mp-997617,BOs,-9.19023441,-0.2368548096,0.0,-0.0255399258,GGA,P-6m2,AB_hP2_187_a_d:B-Os,2.0,AB_hP2_187_a_d:B-Os +mp-15323,Nd(BOs)4,-8.8692203978,-0.3808665938,0.0,-0.0348089583,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Nd-Os,18.0,A4BC4_tP18_86_g_a_g:B-Nd-Os +mp-1188147,B4Os,-6.9340745815,0.6549123212,0.7827130438000001,0.7827130438000001,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-Os,20.0,A4B_hP20_194_fi_bc:B-Os +mp-1079348,B3Os2,-8.752159895,-0.2535778605,0.0,-0.031035214,GGA,P6_3/mmc,A3B2_hP10_194_cf_f:B-Os,10.0,A3B2_hP10_194_cf_f:B-Os +mp-2850,B2Os,-8.4083848617,-0.2130012044,0.0,-0.0016863207,GGA,Pmmn,A2B_oP6_59_e_a:B-Os,6.0,A2B_oP6_59_e_a:B-Os +mp-1097873,NdB4,-6.06670076,0.2304421432,0.791985127,0.7215816573,GGA,C2/m,A4B_mC10_12_j_a:B-Nd,5.0,A4B_mC10_12_j_a:B-Nd +mp-995182,NdB4,-5.735870778,0.5612721252,1.122815109,1.0524116393,GGA,Immm,A4B_oI10_71_l_a:B-Nd,5.0,A4B_oI10_71_l_a:B-Nd +mp-1632,NdB4,-6.858685887,-0.5615429838,0.0,-0.0704034697,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Nd,20.0,A4B_tP20_127_egi_h:B-Nd +mp-1004756,NdB12,-6.7385994462,-0.2062264706,0.0497157788,0.0497157788,GGA,Fm-3m,A12B_cF52_225_h_b:B-Nd,13.0,A12B_cF52_225_h_b:B-Nd +mp-7839,ReB3,-7.3704538962,0.7502217281,1.0711090802,1.0711090802,GGA,P6_3/mmc,A3B_hP8_194_af_c:B-Re,8.0,A3B_hP8_194_af_c:B-Re +mp-1014138,ZrB,-8.0229889125,-0.4094427121,0.3310758025,0.3310758025,GGA,P-6m2,AB_hP4_187_i_ad:B-Zr,4.0,AB_hP4_187_i_ad:B-Zr +mp-1014246,ZrB,-8.0244645725,-0.4109183721,0.3296001425,0.3296001425,GGA,P6_3/mmc,AB_hP4_194_a_c:B-Zr,4.0,AB_hP4_194_a_c:B-Zr +mp-451,ZrB,-7.987295285,-0.3737490846,0.36676943,0.36676943,GGA,Fm-3m,AB_cF8_225_a_b:B-Zr,2.0,AB_cF8_225_a_b:B-Zr +mp-15671,Re3B,-11.206638955,-0.2033956235,0.0,-0.0183700229,GGA,Cmcm,AB3_oC16_63_c_cf:B-Re,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_c2f:B-Re, expected Re5B to be Re3B" +mp-1193442,Zr9Re4B,-9.7969698379,-0.2693408249,0.019858035,0.019858035,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:B-Re-Zr,28.0,AB4C9_hP28_194_c_ah_hk:B-Re-Zr +mp-1773,ReB2,-9.0289533783,-0.4278498028,0.0,-0.3221208881,GGA,P6_3/mmc,A2B_hP6_194_f_c:B-Re,6.0,A2B_hP6_194_f_c:B-Re +mp-1084,ZrB12,-7.0350870008,-0.2119791638,0.0158726868,0.0158726868,GGA,Fm-3m,A12B_cF52_225_h_b:B-Zr,13.0,A12B_cF52_225_h_b:B-Zr +mp-1001788,ZrB6,-6.9671700529,-0.0208770164,0.4022764205,0.4022764205,GGA,Pm-3m,A6B_cP7_221_e_b:B-Zr,7.0,A6B_cP7_221_e_b:B-Zr +mp-1472,ZrB2,-8.28951941,-0.9873580194,0.0,-0.6548096385000001,GGA,P6/mmm,A2B_hP3_191_c_b:B-Zr,3.0,A2B_hP3_191_c_b:B-Zr +mp-28893,ReB,-9.5491698762,0.0127896017,0.3508577327,0.3508577327,GGA,I4_1/amd,AB_tI32_141_h_h:B-Re,16.0,AB_tI32_141_h_h:B-Re +mp-1190213,ReB4,-7.274532649,0.5578862047,0.8145960863,0.8145960863,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-Re,20.0,A4B_hP20_194_fi_bc:B-Re +mp-1106180,Re7B3,-10.9370172815,-0.2220307207,0.0082994043,0.0082994043,GGA,P6_3mc,A3B7_hP20_186_c_b2c:B-Re,20.0,A3B7_hP20_186_c_b2c:B-Re +mp-1102036,NiP,-6.0097450183,-0.413025425,0.0378181819,0.0378181819,GGA,Cmc2_1,AB_oC24_36_ab_ab:Ni-P,12.0,AB_oC24_36_ab_ab:Ni-P +mp-1194315,NiP,-6.0254664721,-0.4287468788,0.0220967281,0.0220967281,GGA,Cmc2_1,AB_oC56_36_a3b_a3b:Ni-P,28.0,AB_oC56_36_a3b_a3b:Ni-P +mp-27844,NiP,-6.0310223463,-0.4343027529,0.016540854,0.016540854,GGA,Pbca,AB_oP16_61_c_c:Ni-P,16.0,AB_oP16_61_c_c:Ni-P +mp-1199085,NiP,-6.0212903513,-0.4245707579,0.026272849,0.026272849,GGA,Pnma,AB_oP40_62_c2d_c2d:Ni-P,40.0,AB_oP40_62_c2d_c2d:Ni-P +mp-1200923,Ni5P2,-6.12801405,-0.4526871338,0.0167599945,0.0167599945,GGA,P6_3cm,A5B2_hP42_185_ab4c_abc:Ni-P,42.0,A5B2_hP42_185_ab4c_abc:Ni-P +mp-1206697,EuNiP,-8.13040275,-0.9802557544,0.0,-0.1652443213,GGA,P-6m2,ABC_hP3_187_b_c_e:Eu-Ni-P,3.0,ABC_hP3_187_b_c_e:Eu-Ni-P +mp-2301,NiP3,-5.8076736306,-0.3026625806,0.0,-0.0239657696,GGA,Im-3,AB3_cI32_204_c_g:Ni-P,16.0,AB3_cI32_204_c_g:Ni-P +mp-1213676,Eu8Ni18P11,-7.4354033249,-0.7963546164,0.0076279631,0.0076279631,GGA,P-6m2,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Eu-Ni-P,74.0,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Eu-Ni-P +mp-1213320,Eu2Ni7P4,-7.1189445808,-0.7629314741000001,0.0,-0.0066488583,GGA,Pmn2_1,A2B7C4_oP26_31_2a_7a_4a:Eu-Ni-P,26.0,A2B7C4_oP26_31_2a_7a_4a:Eu-Ni-P +mp-582367,EuNi5P3,-6.9077884683,-0.7525003883,0.0,-0.036943222,GGA,Cmcm,AB5C3_oC36_63_c_a2f_cf:Eu-Ni-P,18.0,"Invalid WP multiplicities - AB5C3_oC36_63_c_a7f_2cf:Eu-Ni-P, expected EuNi15P4 to be EuNi5P3" +mp-705271,Eu(Ni5P3)2,-6.5500411821,-0.6360303797,0.0016489562,-0.0130311835,GGA,Pnma,AB10C6_oP68_62_c_4c3d_4cd:Eu-Ni-P,68.0,"Invalid WP multiplicities - AB10C6_oP68_62_c_15c20d_15c8d:Eu-Ni-P, expected EuNi55P31 to be Eu(Ni5P3)2" +mp-21672,Eu(Ni5P3)2,-6.5516901382,-0.6376793359,0.0,-0.0146801397,GGA,Cmce,AB10C6_oC68_64_a_e2fg_e2f:Eu-Ni-P,34.0,"Invalid WP multiplicities - AB10C6_oC68_64_a_3e4fg_2e2f:Eu-Ni-P, expected Eu(Ni9P4)2 to be Eu(Ni5P3)2" +mp-3758,Eu(NiP)2,-7.418505474,-0.8897294393,0.0,-0.0545270328,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Eu-Ni-P +mp-2296,Ni3P,-6.1290820662,-0.4406539296,0.0,-0.0220468285,GGA,I-4,A3B_tI32_82_3g_g:Ni-P,16.0,A3B_tI32_82_3g_g:Ni-P +mp-1213550,Eu2Ni12P5,-6.7918372713,-0.6369869401,0.0,-0.019536515,GGA,P2_1/m,A2B12C5_mP38_11_2e_12e_5e:Eu-Ni-P,38.0,A2B12C5_mP38_11_2e_12e_5e:Eu-Ni-P +mp-1212839,Eu6Ni20P13,-7.1247552618,-0.7781481596000001,0.0181513376,0.0181513376,GGA,P-6,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Eu-Ni-P,39.0,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Eu-Ni-P +mp-2790,Ni12P5,-6.1484662747,-0.4762219986,0.0,-0.0122613983,GGA,I4/m,A12B5_tI34_87_hi_ah:Ni-P,17.0,"Invalid WP multiplicities - A12B5_tI34_87_h2i_ah:Ni-P, expected Ni4P to be Ni12P5" +mp-1191284,Eu2Ni12P7,-6.7761850481,-0.6919583192000001,0.0233098249,0.0233098249,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Eu-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Eu-Ni-P +mp-21167,Ni2P,-6.1351994544,-0.4773408322,0.0,-0.0008481655,GGA,P-62m,A2B_hP9_189_fg_ad:Ni-P,9.0,A2B_hP9_189_fg_ad:Ni-P +mp-1920,Ni5P4,-6.0943588294,-0.4772595598,0.0,-0.0286107805,GGA,P6_3mc,A5B4_hP36_186_a3c_ab2c:Ni-P,36.0,"Invalid WP multiplicities - A5B4_hP36_186_a4c_ab2c:Ni-P, expected Ni13P8 to be Ni5P4" +mp-769108,NiP4,-5.6504578553,-0.163788514,0.0783415505,0.0783415505,GGA,P2_1/c,AB4_mP30_14_ae_6e:Ni-P,30.0,"Invalid WP multiplicities - AB4_mP30_14_2a2e_21e:Ni-P, expected NiP7 to be NiP4" +mp-770274,NiP4,-5.642100548,-0.1554312067,0.0866988578,0.0866988578,GGA,C2/c,AB4_mC40_15_ce_4f:Ni-P,20.0,"Invalid WP multiplicities - AB4_mC40_15_2a2e_13f:Ni-P, expected Ni2P13 to be NiP4" +mp-486,NiP2,-5.8962733617000005,-0.3606927972,0.0109029508,-0.0104128586,GGA,C2/c,AB2_mC12_15_c_f:Ni-P,6.0,AB2_mC12_15_a_f:Ni-P +mp-22619,NiP2,-5.9071763125,-0.3715957481,0.0,-0.0213158095,GGA,Pa-3,AB2_cP12_205_a_c:Ni-P,12.0,AB2_cP12_205_a_c:Ni-P +mp-1213589,Eu9(Ni13P6)2,-7.2138685291,-0.6701195938000001,0.0253723786,0.0253723786,GGA,P-6m2,A9B26C12_hP47_187_2jk_adj3klm_2jm:Eu-Ni-P,47.0,A9B26C12_hP47_187_2jk_adj3klm_2jm:Eu-Ni-P +mp-14513,Ni8P3,-6.1367532884,-0.456662292,0.0023145822,0.0023145822,GGA,R-3c,A8B3_hR132_167_2c2f_bce:Ni-P,44.0,"Invalid WP multiplicities - A8B3_hR132_167_4c3f_bce:Ni-P, expected Ni13P3 to be Ni8P3" +mp-1184563,HfBeO3,-8.59511636,-2.8877827542,0.7660095675,0.7660095675,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Hf-O,5.0,ABC3_cP5_221_b_a_c:Be-Hf-O +mp-1191543,HoCrB4,-7.4985426137,-0.6730387099,0.0,-0.0914378315,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Ho,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Ho +mp-569424,Cr2B,-9.0336354375,-0.3718065339,0.0,-0.0023378519,GGA,Fddd,AB2_oF48_70_e_ef:B-Cr,12.0,"Invalid WP multiplicities - AB2_oF48_70_e_3e3f:B-Cr, expected Cr6B to be Cr2B" +mp-15809,Cr2B,-9.0327370833,-0.3709081797,0.0008983542,-0.0014394978,GGA,I4/mcm,AB2_tI12_140_a_h:B-Cr,6.0,AB2_tI12_140_a_h:B-Cr +mp-260,CrB,-8.686396285,-0.5201766646,0.0092891912,-0.0761307068,GGA,Cmcm,AB_oC8_63_c_c:B-Cr,4.0,AB_oC8_63_c_c:B-Cr +mp-1080664,CrB,-8.6956854763,-0.5294658558,0.0,-0.0854198981,GGA,I4_1/amd,AB_tI16_141_e_e:B-Cr,8.0,AB_tI16_141_e_e:B-Cr +mp-1226275,Cr4B,-8.978263634,0.0800526962,0.3031366165,0.3031366165,GGA,F222,AB4_oF40_22_e_efij:B-Cr,10.0,"Invalid WP multiplicities - AB4_oF40_22_e_e2f2ij:B-Cr, expected Cr6B to be Cr4B" +mp-12054,Cr2B3,-8.296729283,-0.4278752325,0.0281113125,0.0281113125,GGA,Cmcm,A3B2_oC20_63_3c_2c:B-Cr,10.0,A3B2_oC20_63_3c_2c:B-Cr +mp-15617,Cr5B3,-8.95357885,-0.4156522672,0.0,-0.0044309028,GGA,I4/mcm,A3B5_tI32_140_ah_cl:B-Cr,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_c2l:B-Cr, expected Cr3B to be Cr5B3" +mp-1078278,CrB4,-7.583150834,-0.3090279233,0.0,-0.0942348256,GGA,Pnnm,A4B_oP10_58_2g_a:B-Cr,10.0,A4B_oP10_58_2g_a:B-Cr +mp-27710,CrB4,-7.57715066,-0.3030277493,0.006000174,-0.0882346516,GGA,Immm,A4B_oI10_71_l_a:B-Cr,5.0,A4B_oI10_71_l_a:B-Cr +mp-889,Cr3B4,-8.4140865657,-0.4602709238,0.01670971,0.01670971,GGA,Immm,A4B3_oI14_71_ef_af:B-Cr,7.0,A4B3_oI14_71_ef_af:B-Cr +mp-31046,Ho3CrB7,-6.9932384195,-0.6154187399000001,0.0,-0.0059076357,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Cr-Ho,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c3f_c_c2f:B-Cr-Ho, expected Ho5CrB7 to be Ho3CrB7" +mp-374,CrB2,-8.0104855133,-0.3398751761,0.0671251617,0.0671251617,GGA,P6/mmm,A2B_hP3_191_c_b:B-Cr,3.0,A2B_hP3_191_c_b:B-Cr +mp-1194188,Nb4Fe2N,-9.8627868389,-0.4796786239,0.0089382643,0.0089382643,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Fe-N-Nb,28.0,A2BC4_cF112_227_e_c_df:Fe-N-Nb +mp-684887,Fe24N11,-8.5766843129,-0.1486285067,0.0498165222,0.0498165222,GGA,C2/c,A24B11_mC140_15_12f_e5f:Fe-N,70.0,"Invalid WP multiplicities - A24B11_mC140_15_48f_2e17f:Fe-N, expected Fe8N3 to be Fe24N11" +mp-1417269,FeN,-7.670385835,0.7328722325,1.04750907,0.8480131063,GGA,P4_2/mmc,AB_tP4_131_a_c:Fe-N,4.0,AB_tP4_131_a_c:Fe-N +mp-12120,FeN,-8.5283700475,-0.12511198,0.1895248575,-0.0099711062,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-N,4.0,AB_hP4_194_a_c:Fe-N +mp-6988,FeN,-8.717894905,-0.3146368375,0.0,-0.1994959637,GGA,F-43m,AB_cF8_216_a_c:Fe-N,2.0,AB_cF8_216_a_c:Fe-N +mp-1009019,FeN,-7.85150594,0.5517521275,0.8663889650000001,0.6668930013000001,GGA,Pm-3m,AB_cP2_221_a_b:Fe-N,2.0,AB_cP2_221_a_b:Fe-N +mp-1008929,FeN,-8.32609851,0.0771595575,0.391796395,0.1923004313,GGA,Fm-3m,AB_cF8_225_a_b:Fe-N,2.0,AB_cF8_225_a_b:Fe-N +mp-1225203,Fe4N,-8.354636904,0.088679049,0.215258879,0.215258879,GGA,R-3m,A4B_hR15_166_2c_a:Fe-N,5.0,A4B_hR15_166_2c_a:Fe-N +mp-535,Fe4N,-8.499903552,-0.056587599,0.069992231,0.069992231,GGA,Pm-3m,A4B_cP5_221_ac_b:Fe-N,5.0,A4B_cP5_221_ac_b:Fe-N +mp-1194201,Nb3Fe3N,-9.6339523854,-0.4838847175,0.0006708946,0.0006708946,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Fe-N-Nb,28.0,A3BC3_cF112_227_ce_d_f:Fe-N-Nb +mp-555,Fe8N,-8.5244155289,-0.0692305728,0.001091555,0.001091555,GGA,I4/mmm,A8B_tI18_139_deh_a:Fe-N,9.0,"Invalid WP multiplicities - A8B_tI18_139_2deh_a:Fe-N, expected Fe10N to be Fe8N" +mp-27908,Fe12N5,-8.5902605679,-0.1595117947,0.0263151193,0.0263151193,GGA,P-31m,A12B5_hP34_162_2kl_afj:Fe-N,34.0,"Invalid WP multiplicities - A12B5_hP34_162_2k2l_afj:Fe-N, expected Fe18N5 to be Fe12N5" +mp-1188353,Fe3N,-8.468444045,-0.0318044062,0.1264203812,0.1255140125,GGA,Pnma,A3B_oP16_62_cd_c:Fe-N,16.0,A3B_oP16_62_cd_c:Fe-N +mp-673635,Fe3N,-8.5918695691,-0.1552299303,0.0029948572,0.0020884884,GGA,P312,A3B_hP32_149_4l_adg2i:Fe-N,32.0,"Invalid WP multiplicities - A3B_hP32_149_24l_ad2g3i:Fe-N, expected Fe12N to be Fe3N" +mp-1804,Fe3N,-8.594864426200001,-0.1582247875,0.0,-0.0009063687,GGA,P6_322,A3B_hP8_182_g_c:Fe-N,8.0,A3B_hP8_182_g_c:Fe-N +mp-684744,Fe2N,-8.5785488822,-0.1530364339,0.0573257036,0.0573257036,GGA,P2_12_12,A2B_oP18_18_3c_2ab:Fe-N,18.0,"Invalid WP multiplicities - A2B_oP18_18_8c_3ab:Fe-N, expected Fe4N to be Fe2N" +mp-21476,Fe2N,-8.5790336133,-0.153521165,0.0568409725,0.0568409725,GGA,Pbcn,A2B_oP12_60_d_c:Fe-N,12.0,A2B_oP12_60_d_c:Fe-N +mp-248,Fe2N,-8.5754690844,-0.1499566361,0.0604055014,0.0604055014,GGA,P-31m,A2B_hP9_162_k_ad:Fe-N,9.0,A2B_hP9_162_k_ad:Fe-N +mp-1224698,Fe2N,-8.4632880567,-0.0377756083,0.1725865292,0.1725865292,GGA,P-3m1,A2B_hP3_164_d_a:Fe-N,3.0,A2B_hP3_164_d_a:Fe-N +mp-1224686,Fe2N,-8.3608016667,0.0647107817,0.2750729192,0.2750729192,GGA,P-6m2,A2B_hP3_187_h_a:Fe-N,3.0,A2B_hP3_187_h_a:Fe-N +mp-1080202,FeN2,-8.4428801167,-0.06187643,0.1478814617,0.1478814617,GGA,Pnnm,AB2_oP6_58_a_g:Fe-N,6.0,AB2_oP6_58_a_g:Fe-N +mp-673174,Fe8N3,-8.5885406985,-0.154935748,0.0175083167,0.0175083167,GGA,C2,A8B3_mC66_5_12c_2a3b2c:Fe-N,33.0,"Invalid WP multiplicities - A8B3_mC66_5_24c_2a3b4c:Fe-N, expected Fe48N13 to be Fe8N3" +mp-1178742,Y5Al3,-5.741777715,-0.2956423329,0.046138882,0.046138882,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Al-Y,16.0,A3B5_hP16_193_g_dg:Al-Y +mp-2322,YAl2,-5.183877645,-0.5313367206,0.0,-0.09997435,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Y,6.0,A2B_cF24_227_c_b:Al-Y +mp-11230,Y2Al,-5.8742078758,-0.3147018569,0.0,-0.0192630124,GGA,Pnma,AB2_oP12_62_c_2c:Al-Y,12.0,AB2_oP12_62_c_2c:Al-Y +mp-16723,Y3Al2,-5.7326396135,-0.3545266135,0.0035022162,0.0035022162,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Al-Y,20.0,A2B3_tP20_136_j_dfg:Al-Y +mp-1207806,Y4Al,-5.460475269,0.4618167877,0.6506379018,0.6506379018,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Y,10.0,AB4_cF40_227_a_e:Al-Y +mp-2451,YAl3,-4.8610313333,-0.4352316825,0.0026384492,-0.0367291421,GGA,R-3m,A3B_hR36_166_dh_bc:Al-Y,12.0,"Invalid WP multiplicities - A3B_hR36_166_d2h_bc:Al-Y, expected YAl5 to be YAl3" +mp-11232,YAl3,-3.9167277813,0.5090718696000001,0.9469420012,0.90757441,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Y,8.0,A3B_hP8_194_h_c:Al-Y +mp-865527,YAl3,-4.8636697825,-0.4378701317,0.0,-0.0393675913,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-Y,8.0,A3B_hP8_194_h_c:Al-Y +mp-11231,YAl3,-4.8507212,-0.4249215492,0.0129485825,-0.0264190088,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Y,4.0,A3B_cP4_221_c_a:Al-Y +mp-1187880,YTm3,-4.9654677562,0.0080265896,0.0080265896,0.0080265896,GGA,P6_3/mmc,A3B_hP8_194_h_c:Tm-Y,8.0,A3B_hP8_194_h_c:Tm-Y +mp-11228,YAl,-5.52437032,-0.4183468483,0.0046724404,0.0046724404,GGA,Cmcm,AB_oC8_63_c_c:Al-Y,4.0,AB_oC8_63_c_c:Al-Y +mp-11229,YAl,-5.520929045,-0.4149055733,0.0081137154,0.0081137154,GGA,Pm-3m,AB_cP2_221_a_b:Al-Y,2.0,AB_cP2_221_a_b:Al-Y +mp-980662,YTmAl2,-5.0080683125,-0.3997037633,0.0157896746,0.0157896746,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Al-Tm-Y +mp-981249,Y3Tm,-5.962885985,0.0059262058,0.0059262058,0.0059262058,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tm-Y,8.0,AB3_hP8_194_c_h:Tm-Y +mp-30338,Y3Al,-5.9719757275,-0.185728435,0.0502979577,0.0502979577,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Y,4.0,AB3_cP4_221_a_c:Al-Y +mp-1095801,Y2ZnHg,-1.7046606400000002,1.9194309104,2.3609608525,2.3609608525,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-Y-Zn +mp-1187731,Y2ZnHg,-4.0499777225,-0.4258861721,0.01564377,0.01564377,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Y-Zn +mp-1097649,YZnHg2,-0.923446455,1.1599474083,1.5270153758,1.5270153758,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Y-Zn,4.0,A2BC_oI8_71_e_a_b:Hg-Y-Zn +mp-1229052,Al41V4,-4.3099557422,-0.0898616687,0.012857518,0.012857518,GGA,F-43m,A41B4_cF180_216_aefg2h_e:Al-V,45.0,A41B4_cF180_216_aefg2h_e:Al-V +mp-2554,Al3V,-5.3690561025,-0.2888977125,0.0,-0.0987092413,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-V,4.0,A3B_tI8_139_ad_b:Al-V +mp-1008554,Al3V,-5.2304646375,-0.1503062475,0.138591465,0.0398822237,GGA,Pm-3m,A3B_cP4_221_c_a:Al-V,4.0,A3B_cP4_221_c_a:Al-V +mp-1228763,Al8V5,-6.0198796608,-0.2210998923,0.0343436638,0.0343436638,GGA,Cm,A8B5_mC52_8_4a6b_4a3b:Al-V,26.0,"Invalid WP multiplicities - A8B5_mC52_8_4a11b_4a3b:Al-V, expected Al13V5 to be Al8V5" +mp-1214872,Al8V5,-6.0018148881,-0.2030351196,0.0524084365,0.0524084365,GGA,I-43m,A8B5_cI52_217_cg_ce:Al-V,26.0,A8B5_cI52_217_cg_ce:Al-V +mp-1207747,Yb6Al43V4,-4.150310201,-0.2515736982,0.0,-0.0476800952,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-V-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-V-Yb +mp-567919,Al45V7,-4.6167720996,-0.1525748912,0.0029854156,0.0029854156,GGA,C2/m,A45B7_mC104_12_a8i7j_dij:Al-V,52.0,"Invalid WP multiplicities - A45B7_mC104_12_a15i25j_c2i3j:Al-V, expected Al131V17 to be Al45V7" +mp-1228813,AlV3,-7.8410555525,-0.0917320425,0.0425118725,0.02165224,GGA,Cmmm,AB3_oC8_65_b_ck:Al-V,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Al-V, expected AlV5 to be AlV3" +mp-1387,AlV3,-7.883567425,-0.134243915,0.0,-0.0208596325,GGA,Pm-3n,AB3_cP8_223_a_c:Al-V,8.0,AB3_cP8_223_a_c:Al-V +mp-1215157,Al27V,-2.8910960225,1.0451344589,1.0864055607,1.0864055607,GGA,Fd-3m,A27B_cF224_227_ac2g_b:Al-V,56.0,A27B_cF224_227_ac2g_b:Al-V +mp-30335,Al23V4,-4.7032400341,-0.1668004648,0.0043981796,0.0043981796,GGA,P6_3/mmc,A23B4_hP54_194_fh3k_ah:Al-V,54.0,A23B4_hP54_194_fh3k_ah:Al-V +mp-1228006,AlV2,-7.4498201433,-0.1453574867,0.0197279783,0.0197279783,GGA,Fmmm,AB2_oF12_69_a_g:Al-V,3.0,AB2_oF12_69_a_g:Al-V +mp-16722,Al10V,-4.3238450168,-0.0929664377,0.0120872759,0.0120872759,GGA,Fd-3m,A10B_cF176_227_cfg_d:Al-V,44.0,A10B_cF176_227_cfg_d:Al-V +mp-979941,Yb3V,-2.9825663575,0.44311637,0.44311637,0.44311637,GGA,I4/mmm,AB3_tI8_139_a_bd:V-Yb,,AB3_tI8_139_a_bd:V-Yb +mp-979945,Yb3V,-2.9656491175,0.46003361,0.46003361,0.46003361,GGA,Pm-3m,AB3_cP4_221_a_c:V-Yb,,AB3_cP4_221_a_c:V-Yb +mp-979942,Yb3V,-2.96746767,0.4582150575,0.4582150575,0.4582150575,GGA,Fm-3m,AB3_cF16_225_a_bc:V-Yb,,AB3_cF16_225_a_bc:V-Yb +mp-1228001,AlV,-6.641509515,-0.226768565,0.0,-0.0151977512,GGA,Cmmm,AB_oC4_65_a_c:Al-V,2.0,AB_oC4_65_a_c:Al-V +mp-1244870,TaN,-10.9864055374,-0.8892692599,0.4633129509,0.3754615344,GGA,P1,AB_aP100_1_50a_50a:N-Ta,100.0,AB_aP100_1_50a_50a:N-Ta +mp-1244946,TaN,-10.9309662869,-0.8338300094000001,0.5187522014,0.4309007849,GGA,P1,AB_aP100_1_50a_50a:N-Ta,100.0,AB_aP100_1_50a_50a:N-Ta +mp-1244977,TaN,-10.9453204637,-0.8481841862,0.5043980246,0.4165466081,GGA,P1,AB_aP100_1_50a_50a:N-Ta,100.0,AB_aP100_1_50a_50a:N-Ta +mp-1245149,TaN,-10.9482374985,-0.8511012210000001,0.5014809898,0.4136295733,GGA,P1,AB_aP100_1_50a_50a:N-Ta,100.0,AB_aP100_1_50a_50a:N-Ta +mp-1245175,TaN,-10.9336248493,-0.8364885718,0.516093639,0.4282422225,GGA,P1,AB_aP100_1_50a_50a:N-Ta,100.0,AB_aP100_1_50a_50a:N-Ta +mp-1459,TaN,-11.42211005,-1.3249737725,0.0276084383,-0.0602429782,GGA,P-6m2,AB_hP2_187_a_d:N-Ta,2.0,AB_hP2_187_a_d:N-Ta +mp-1279,TaN,-11.4497184883,-1.3525822108,0.0,-0.0878514165,GGA,P-62m,AB_hP6_189_f_ad:N-Ta,6.0,AB_hP6_189_f_ad:N-Ta +mp-1497,TaN,-10.99813948,-0.9010032025,0.4515790083,0.3637275918,GGA,P6/mmm,AB_hP6_191_f_ad:N-Ta,6.0,AB_hP6_191_f_ad:N-Ta +mp-570454,TaN,-10.1425587483,-0.0454224708,1.30715974,1.2193083235,GGA,P6/mmm,AB_hP6_191_ad_f:N-Ta,6.0,"Invalid WP multiplicities - AB_hP6_191_a2d_f:N-Ta, expected Ta3N5 to be TaN" +mp-570604,TaN,-11.20722768,-1.1100914025,0.2424908083,0.1546393918,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Ta,4.0,AB_hP4_194_c_a:N-Ta +mp-1009833,TaN,-10.958020895,-0.8608846175,0.4916975933,0.4038461768,GGA,F-43m,AB_cF8_216_a_c:N-Ta,2.0,AB_cF8_216_a_c:N-Ta +mp-1009831,TaN,-10.633438835,-0.5363025575,0.8162796533000001,0.7284282368,GGA,Pm-3m,AB_cP2_221_a_b:N-Ta,2.0,AB_cP2_221_a_b:N-Ta +mp-251,TaN,-11.120768715,-1.0236324375,0.3289497733,0.2410983568,GGA,Fm-3m,AB_cF8_225_a_b:N-Ta,2.0,AB_cF8_225_a_b:N-Ta +mp-1079438,Ta2N,-11.72074409,-1.0367273617,0.0,-0.1350058878,GGA,P-31m,AB2_hP9_162_ad_k:N-Ta,9.0,AB2_hP9_162_ad_k:N-Ta +mp-10196,Ta2N,-11.60749194,-0.9234752117,0.11325215,-0.0217537378,GGA,P-3m1,AB2_hP3_164_a_d:N-Ta,3.0,AB2_hP3_164_a_d:N-Ta +mp-34761,Ta5N6,-10.4103092164,-0.4732312436,0.8536823050000001,0.8499001364000001,GGA,P6_3/mcm,A6B5_hP22_193_k_dg:N-Ta,22.0,"Invalid WP multiplicities - A6B5_hP22_193_k_3d2g:N-Ta, expected Ta2N to be Ta5N6" +mp-1642,Ta5N6,-11.2639915214,-1.3269135486,0.0,-0.0037821686,GGA,P6_3/mcm,A6B5_hP22_193_k_dg:N-Ta,22.0,A6B5_hP22_193_k_dg:N-Ta +mp-8046,Ta4N5,-11.1904871489,-1.2889776883,0.0309109559,0.0309109559,GGA,I4/m,A5B4_tI18_87_ah_h:N-Ta,9.0,A5B4_tI18_87_ah_h:N-Ta +mp-1208406,Ta2N3,-10.990511758,-1.245503751,0.0434753137,0.0434753137,GGA,Pnma,A3B2_oP20_62_3c_2c:N-Ta,20.0,A3B2_oP20_62_3c_2c:N-Ta +mp-1218021,Ta4N3,-11.4321418543,-1.0834853836,0.1337304633,0.1337304633,GGA,I4/mmm,A3B4_tI14_139_ad_ce:N-Ta,7.0,"Invalid WP multiplicities - A3B4_tI14_139_a2d_2c2e:N-Ta, expected Ta8N5 to be Ta4N3" +mp-981366,Zn3N,-2.37608141,0.6528500287,0.6728146288,0.6728146288,GGA,I4/mmm,AB3_tI8_139_a_bd:N-Zn,4.0,AB3_tI8_139_a_bd:N-Zn +mp-1187906,Zn3N,-2.371728065,0.6572033737,0.6771679738,0.6771679738,GGA,Pm-3m,AB3_cP4_221_a_c:N-Zn,4.0,AB3_cP4_221_a_c:N-Zn +mp-971911,ZnN,-4.346261535,0.4518577325,0.4784771992,0.4784771992,GGA,P6_3mc,AB_hP4_186_b_b:N-Zn,4.0,AB_hP4_186_b_b:N-Zn +mp-999485,ZnN,-4.36125655,0.4368627175,0.4634821842,0.4634821842,GGA,F-43m,AB_cF8_216_a_c:N-Zn,2.0,AB_cF8_216_a_c:N-Zn +mp-999469,ZnN,-3.80889974,0.9892195275,1.0158389942,1.0158389942,GGA,Pm-3m,AB_cP2_221_a_b:N-Zn,2.0,AB_cP2_221_a_b:N-Zn +mp-999473,ZnN,-4.283373205,0.5147460625,0.5413655292,0.5413655292,GGA,Fm-3m,AB_cF8_225_a_b:N-Zn,2.0,AB_cF8_225_a_b:N-Zn +mp-754553,Zn3N2,-4.1124254185,-0.0219812825,0.0099620775,-0.0219812825,GGA,Pnma,A2B3_oP20_62_2c_3c:N-Zn,20.0,"Invalid WP multiplicities - A2B3_hP10_194_3a3c_3b4f:N-Zn, expected Zn11N6 to be Zn3N2" +mp-1524551,Zn3N2,-4.1148778385,-0.0244337025,0.0075096575,-0.0244337025,GGA,P6_3/mmc,A2B3_hP10_194_ac_bf:N-Zn,20.0,"Invalid WP multiplicities - A2B3_hP10_194_3a3c_3b4f:N-Zn, expected Zn11N6 to be Zn3N2" +mp-9460,Zn3N2,-4.122387496,-0.03194336,0.0,-0.03194336,GGA,Ia-3,A2B3_cI80_206_ad_e:N-Zn,40.0,A2B3_cI80_206_ad_e:N-Zn +mp-1217984,Ta3N,-11.522474085,-0.5450171312000001,0.23252839,0.23252839,GGA,P-3m1,AB3_hP4_164_a_bd:N-Ta,4.0,AB3_hP4_164_a_bd:N-Ta +mp-1192688,ZnN6,-7.2406279861,0.0849024654,0.0925080273,0.0925080273,GGA,P2_1/c,A6B_mP28_14_6e_e:N-Zn,28.0,A6B_mP28_14_6e_e:N-Zn +mp-1208632,ZnN6,-7.1993970167,0.1261334348,0.1337389967,0.1337389967,GGA,Pnma,A6B_oP84_62_4c7d_cd:N-Zn,84.0,A6B_oP84_62_4c7d_cd:N-Zn +mp-1195863,ZnN6,-7.2409805564,0.084549895,0.0921554569,0.0921554569,GGA,P3_221,A6B_hP42_154_3ab4c_c:N-Zn,42.0,A6B_hP42_154_3ab4c_c:N-Zn +mp-1204550,Ta3N5,-10.7390643853,-1.0820884459,0.1895039803,0.0855713206,GGA,Pnma,A5B3_oP32_62_3cd_cd:N-Ta,32.0,A5B3_oP32_62_3cd_cd:N-Ta +mp-1205002,Ta3N5,-10.7629529847,-1.1059770453,0.1656153809,0.0616827213,GGA,Pnma,A5B3_oP32_62_5c_3c:N-Ta,32.0,A5B3_oP32_62_5c_3c:N-Ta +mp-27488,Ta3N5,-10.9285683656,-1.2715924263,0.0,-0.1039326597,GGA,Cmcm,A5B3_oC32_63_c2f_cf:N-Ta,16.0,"Invalid WP multiplicities - A5B3_oC32_63_2c5f_2c2f:N-Ta, expected TaN2 to be Ta3N5" +mp-1029387,TaZn2N3,-7.2482643075,-0.6838060367000001,0.0,-0.1009075361,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Ta-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Ta-Zn +mp-1008762,TaN2,-10.1919885033,-0.6817326767,0.4485717022,0.4485717022,GGA,P-6m2,A2B_hP3_187_h_a:N-Ta,3.0,A2B_hP3_187_h_a:N-Ta +mp-1019271,TaN2,-9.6710474683,-0.1607916417,0.9695127372,0.9695127372,GGA,P6/mmm,A2B_hP6_191_af_d:N-Ta,6.0,A2B_hP6_191_af_d:N-Ta +mp-1019272,TaN2,-10.2022432683,-0.6919874417,0.4383169372,0.4383169372,GGA,P6_3/mmc,A2B_hP6_194_e_c:N-Ta,6.0,A2B_hP6_194_e_c:N-Ta +mp-1102114,TaN2,-9.8758391758,-0.3655833492,0.7647210297,0.7647210297,GGA,Pa-3,A2B_cP12_205_c_a:N-Ta,12.0,A2B_cP12_205_c_a:N-Ta +mp-1186425,Pb3S,-3.88243358,-0.0638358108,0.3284263025,0.3284263025,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-S,4.0,A3B_cP4_221_c_a:Pb-S +mp-561320,PbS,-4.6505987675,-0.7260502991000001,0.0584739275,-0.2591267538,GGA,C2,AB_mC8_5_c_c:Pb-S,4.0,AB_mC8_12_i_i:Pb-S +mp-1078696,PbS,-4.6264030625,-0.7018545941000001,0.0826696325,-0.2349310488,GGA,P2_1/m,AB_mP8_11_2e_2e:Pb-S,8.0,AB_mP8_11_2e_2e:Pb-S +mp-1087486,PbS,-4.6271754075,-0.7026269391000001,0.0818972875,-0.2357033938,GGA,P2_1/m,AB_mP8_11_2e_2e:Pb-S,8.0,AB_mP8_11_2e_2e:Pb-S +mp-726184,PbS,-4.650099775,-0.7255513066,0.05897292,-0.2586277613,GGA,C2/m,AB_mC8_12_i_i:Pb-S,4.0,AB_mC8_12_i_i:Pb-S +mp-727323,PbS,-4.6510307775,-0.7264823091,0.0580419175,-0.2595587638,GGA,C2/m,AB_mC8_12_i_i:Pb-S,4.0,AB_mC8_12_i_i:Pb-S +mp-1078944,PbS,-4.5397108238,-0.6151623553000001,0.1693618712,-0.14823881,GGA,Pma2,AB_oP8_28_2c_ac:Pb-S,8.0,AB_oP8_28_2c_ac:Pb-S +mp-1079101,PbS,-4.5144570900000005,-0.5899086216,0.194615605,-0.1229850763,GGA,Amm2,AB_oC16_38_abd_abe:Pb-S,8.0,AB_oC16_38_abd_abe:Pb-S +mp-1079543,PbS,-4.5452969838,-0.6207485153,0.1637757112,-0.15382497,GGA,Amm2,AB_oC16_38_abd_abe:Pb-S,8.0,AB_oC16_38_abd_abe:Pb-S +mp-1078500,PbS,-4.678111735,-0.7535632666000001,0.03096096,-0.2866397213,GGA,Pnma,AB_oP8_62_c_c:Pb-S,8.0,AB_oP8_62_c_c:Pb-S +mp-1091375,PbS,-4.6915173663,-0.7669688978,0.0175553287,-0.3000453525,GGA,Pnma,AB_oP8_62_c_c:Pb-S,8.0,AB_oP8_62_c_c:Pb-S +mp-1018115,PbS,-4.67056752,-0.7460190516,0.038505175,-0.2790955063,GGA,Cmcm,AB_oC8_63_c_c:Pb-S,4.0,AB_oC8_63_c_c:Pb-S +mp-557719,PbS,-4.6509565562,-0.7264080878,0.0581161387,-0.2594845425,GGA,Cmce,AB_oC16_64_f_f:Pb-S,8.0,AB_oC16_64_f_f:Pb-S +mp-2350391,PbS,-4.6499734175,-0.7254249491,0.0590992775,-0.2585014038,GGA,P4/nmm,AB_tP4_129_c_c:Pb-S,4.0,AB_tP4_129_c_c:Pb-S +mp-1057015,PbS,-4.70771414,-0.7831656716000001,0.001358555,-0.3162421263,GGA,R3m,AB_hR6_160_a_a:Pb-S,2.0,AB_hR6_160_a_a:Pb-S +mp-1012435,PbS,-4.65261751,-0.7280690416000001,0.056455185,-0.2611454963,GGA,P6_3mc,AB_hP4_186_a_b:Pb-S,4.0,AB_hP4_186_a_b:Pb-S +mp-1009551,PbS,-4.585258895,-0.6607104266,0.1238137999999999,-0.1937868813,GGA,P-6m2,AB_hP2_187_a_d:Pb-S,2.0,AB_hP2_187_a_d:Pb-S +mp-1018019,PbS,-4.64709926,-0.7225507916,0.061973435,-0.2556272463,GGA,P6_3/mmc,AB_hP4_194_a_c:Pb-S,4.0,AB_hP4_194_a_c:Pb-S +mp-21039,PbS,-4.45035457,-0.5258061016,0.258718125,-0.0588825563,GGA,Pm-3m,AB_cP2_221_a_b:Pb-S,2.0,AB_cP2_221_a_b:Pb-S +mp-21276,PbS,-4.709072695,-0.7845242266,0.0,-0.3176006813,GGA,Fm-3m,AB_cF8_225_a_b:Pb-S,2.0,AB_cF8_225_a_b:Pb-S +mp-675925,Ce2PbS4,-6.4290292043,-1.8397970832,0.0475419971,0.0475419971,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ce-Pb-S,14.0,A2BC4_tI28_122_d_a_e:Ce-Pb-S +mp-1025039,PbS2,-4.617746995,-0.6225647271,0.0,-0.099548576,GGA,I4/mcm,AB2_tI12_140_a_h:Pb-S,6.0,AB2_tI12_140_a_h:Pb-S +mp-1206683,PbS2,-4.2839044933,-0.2887222254,0.3338425017,0.2342939256,GGA,P-3m1,AB2_hP3_164_a_d:Pb-S,3.0,AB2_hP3_164_a_d:Pb-S +mp-27617,Ce2SeF4,-7.0978551514,-3.8109972003,0.0,-0.0279678299,GGA,R-3m,A2B4C_hR21_166_c_2c_a:Ce-F-Se,7.0,A2B4C_hR21_166_c_2c_a:Ce-F-Se +mp-542001,CeF4,-6.7761284033,-4.0603273983,0.0,-0.6137180772,GGA,C2/c,AB4_mC60_15_ef_ce5f:Ce-F,30.0,AB4_mC60_15_ef_ae5f:Ce-F +mp-29172,SeF4,-4.3014347445,-2.073069275,0.0,-2.073069275,GGA,P2_12_12_1,A4B_oP20_19_4a_a:F-Se,20.0,A4B_oP20_19_4a_a:F-Se +mp-22070,CeF3,-7.093467835,-4.1765863206,0.1316753308,-0.3700293847,GGA,P6_322,AB3_hP24_182_g_bfi:Ce-F,24.0,AB3_hP24_182_g_bfi:Ce-F +mp-510560,CeF3,-7.2251431658,-4.3082616515,0.0,-0.5017047155000001,GGA,P-3c1,AB3_hP24_165_f_adg:Ce-F,24.0,AB3_hP24_165_f_adg:Ce-F +mp-557720,CeF3,-7.1979323825,-4.2810508681,0.0272107833,-0.4744939322,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Ce-F,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:Ce-F, expected CeF5 to be CeF3" +mp-1219777,Pu4ZrC5,-10.781877975,0.3943601662,0.5835636943,0.5835636943,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-Pu-Zr,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a3c_3c_b:C-Pu-Zr, expected Pu6ZrC7 to be Pu4ZrC5" +mp-867164,Pm3Sn,-5.001254725,-0.4359550194,0.0,-0.2717557367,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Sn,4.0,A3B_cP4_221_c_a:Pm-Sn +mp-669914,PrTlPd,-4.1817123256,-0.0739020883,0.5135518996,0.5135518996,GGA,P-62m,ABC_hP9_189_ad_f_f:Pd-Pr-Tl,9.0,ABC_hP9_189_ad_f_f:Pd-Pr-Tl +mp-2162,Er6Fe23,-7.7351699341,-0.0725216345,0.0098775455,0.0098775455,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Er-Fe,29.0,"Invalid WP multiplicities - A6B23_cF116_225_e_ad3f:Er-Fe, expected Er6Fe31 to be Er6Fe23" +mp-1213030,Er4Fe,-4.921894462,0.426284828,0.4625476745,0.4625476745,GGA,Fd-3m,A4B_cF40_227_e_a:Er-Fe,10.0,A4B_cF40_227_e_a:Er-Fe +mp-1206002,Er6FeBi2,-5.2702381878,-0.4305368178,0.0,-0.0178269825,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Er-Fe,9.0,A2B6C_hP9_189_c_fg_b:Bi-Er-Fe +mp-1102680,ErFe2,-7.2676554333,-0.09840169,0.022474465,-0.009898867,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Fe,12.0,AB2_hP12_194_f_ah:Er-Fe +mp-474,ErFe2,-7.2901298983,-0.120876155,0.0,-0.032373332,GGA,Fd-3m,AB2_cF24_227_a_d:Er-Fe,6.0,AB2_cF24_227_a_d:Er-Fe +mp-569783,ErFe3,-7.5940112858,-0.0995656758,0.0,-0.0089085596,GGA,R-3m,AB3_hR36_166_ac_bch:Er-Fe,12.0,"Invalid WP multiplicities - AB3_hR36_166_a2c_bch:Er-Fe, expected Er5Fe9 to be ErFe3" +mp-1724,Er2Fe17,-8.0779171647,-0.0186646284,0.0232577614,0.0232577614,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Er-Fe,38.0,A2B17_hP38_194_bc_fgjk:Er-Fe +mp-977430,MgNbRu2,-7.825059455,-0.2624619125,0.0,-0.1063311627,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Mg-Nb-Ru +mp-1078401,LaBi2Au,-4.6455343375,-0.6728174962,0.0285223396,0.0285223396,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Bi-La,8.0,AB2C_tP8_129_a_bc_c:Au-Bi-La +mp-570113,BiAu2,-3.5265437017,-0.0637926583,0.0,-0.0637926583,GGA,Fd-3m,A2B_cF24_227_c_b:Au-Bi,6.0,A2B_cF24_227_c_b:Au-Bi +mp-1227355,Bi3Au,-3.57754661,0.1212907375,0.1452129844,0.1452129844,GGA,P4/mmm,AB3_tP4_123_a_bg:Au-Bi,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2g:Au-Bi, expected Bi5Au to be Bi3Au" +mp-1183504,Bi3Au,-3.5864099075,0.11242744,0.1363496869,0.1363496869,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-Bi,4.0,AB3_tI8_139_a_bd:Au-Bi +mp-1183446,Bi3Au,-3.578095435,0.1207419125,0.1446641594,0.1446641594,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Bi,4.0,AB3_cP4_221_a_c:Au-Bi +mp-1183492,Bi3Au,-3.5879163425,0.110921005,0.1348432519,0.1348432519,GGA,Fm-3m,AB3_cF16_225_a_bc:Au-Bi,4.0,AB3_cF16_225_a_bc:Au-Bi +mp-867908,LaBiAu2,-4.5228151475,-0.6917500888,0.0355714066,0.0355714066,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-La,4.0,A2BC_cF16_225_c_a_b:Au-Bi-La +mp-1105333,La3Bi4Au3,-4.8407701865,-0.841607803,0.0,-0.0797424025,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Bi-La,20.0,A3B4C3_cI40_220_a_c_b:Au-Bi-La +mp-1214182,Bi4Au,-3.52080628,0.206361424,0.2254992215,0.2254992215,GGA,Fd-3m,AB4_cF40_227_a_e:Au-Bi,10.0,AB4_cF40_227_a_e:Au-Bi +mp-1227283,BiAu,-3.377535045,0.17965052,0.2274950137,0.2274950137,GGA,P4/mmm,AB_tP2_123_a_b:Au-Bi,2.0,AB_mC4_12_a_d:Au-Bi +mp-1186775,SrYb,-1.563853735,0.0506971317,0.0506971317,0.0506971317,GGA,P-6m2,AB_hP2_187_a_d:Sr-Yb,,AB_hP2_187_a_d:Sr-Yb +mp-1186789,SrYb2Eu,-3.7331268775,0.0233010758,0.0233010758,0.0233010758,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Sr-Yb,,ABC2_cF16_225_a_b_c:Eu-Sr-Yb +mp-1187288,SrEu3,-8.0801389775,0.0349857358,0.0349857358,0.0349857358,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Sr,4.0,A3B_tI8_139_ad_b:Eu-Sr +mp-1187290,SrEu3,-8.0881317163,0.0269929971,0.0269929971,0.0269929971,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Sr,8.0,A3B_hP8_194_h_c:Eu-Sr +mp-1187168,SrEu3,-8.076615055,0.0385096583,0.0385096583,0.0385096583,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Sr,4.0,A3B_cP4_221_c_a:Eu-Sr +mp-1187181,SrEu3,-8.0800625725,0.0350621408,0.0350621408,0.0350621408,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Sr,4.0,A3B_cF16_225_ac_b:Eu-Sr +mp-1186780,SrYb3,-1.52880032,0.0482792533,0.0482792533,0.0482792533,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sr-Yb,,AB3_hP8_194_c_h:Sr-Yb +mp-1186774,SrYb3,-1.5499257025,0.0271538708,0.0271538708,0.0271538708,GGA,Pm-3m,AB3_cP4_221_a_c:Sr-Yb,,AB3_cP4_221_a_c:Sr-Yb +mp-1186771,SrYb3,-1.53474675,0.0423328233,0.0423328233,0.0423328233,GGA,Fm-3m,AB3_cF16_225_a_bc:Sr-Yb,,AB3_cF16_225_a_bc:Sr-Yb +mp-1187163,Sr3Yb,-1.6108444775,0.0411776825,0.0411776825,0.0411776825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sr-Yb,,A3B_hP8_194_h_c:Sr-Yb +mp-981378,Sr3Yb,-1.6192594025,0.0327627575,0.0327627575,0.0327627575,GGA,Fm-3m,A3B_cF16_225_ac_b:Sr-Yb,,A3B_cF16_225_ac_b:Sr-Yb +mp-1186778,SrYbEu2,-5.8993604675,0.0364158658,0.0364158658,0.0364158658,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Sr-Yb,,A2BC_cF16_225_c_a_b:Eu-Sr-Yb +mp-1187259,SrEu,-5.93893142,0.0343162067,0.0343162067,0.0343162067,GGA,P-6m2,AB_hP2_187_a_d:Eu-Sr,2.0,AB_hP2_187_a_d:Eu-Sr +mp-1187289,Sr3Eu,-3.806571765,0.024798775,0.024798775,0.024798775,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Sr,4.0,AB3_tI8_139_a_bd:Eu-Sr +mp-1187298,Sr3Eu,-3.79713568,0.03423486,0.03423486,0.03423486,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Sr,8.0,AB3_hP8_194_c_h:Eu-Sr +mp-1187222,Sr3Eu,-3.80602542,0.02534512,0.02534512,0.02534512,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Sr,4.0,AB3_cP4_221_a_c:Eu-Sr +mp-1187130,Sr3Eu,-3.80412847,0.02724207,0.02724207,0.02724207,GGA,Fm-3m,AB3_cF16_225_a_bc:Eu-Sr,4.0,AB3_cF16_225_a_bc:Eu-Sr +mp-1191859,Sm11In9Ni4,-4.6445216037,-0.4865987798,0.2528496586,0.2528496586,GGA,Cmmm,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Sm,24.0,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Sm +mp-1179493,SmInNi,-4.7558858933,-0.3390837117,0.6913310526,0.6913310526,GGA,P-6m2,ABC_hP3_187_a_c_f:In-Ni-Sm,9.0,ABC_hP3_187_a_c_f:In-Ni-Sm +mp-1078856,SmInNi,-4.8886245611,-0.4718223794,0.5585923848000001,0.5585923848000001,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Sm,9.0,ABC_hP9_189_f_bc_g:In-Ni-Sm +mp-1070631,Sm2InNi2,-5.229738318,-0.479912446,0.6167645227,0.6167645227,GGA,Cmmm,AB2C2_oC10_65_a_g_h:In-Ni-Sm,5.0,AB2C2_oC10_65_a_g_h:In-Ni-Sm +mp-1095065,Sm2InNi2,-5.211765208,-0.461939336,0.6347376327,0.6347376327,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Sm,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Sm +mp-1203754,Sm4In20Ni11,-4.202238056,-0.2739659811,0.4756499912,0.4756499912,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:In-Ni-Sm,35.0,A20B11C4_mC70_12_10i_a5i_2i:In-Ni-Sm +mp-1191123,SmIn2Ni9,-5.398534145,-0.2116021688,0.5013661035,0.5013661035,GGA,P4/mbm,A2B9C_tP24_127_g_cjk_a:In-Ni-Sm,24.0,A2B9C_tP24_127_g_cjk_a:In-Ni-Sm +mp-1219354,Sm2In3Ni,-4.32137315,-0.4093131267,0.3530893206,0.3530893206,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:In-Ni-Sm,6.0,A3BC2_oP6_25_a2b_a_cd:In-Ni-Sm +mp-11557,ScRe2,-10.7553297283,-0.3481552367,0.0,-0.1672068182,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Sc,12.0,A2B_hP12_194_ah_f:Re-Sc +mp-11558,Sc5Re24,-11.6153496907,-0.2246256229,0.0,-0.0445453281,GGA,I-43m,A24B5_cI58_217_2g_ac:Re-Sc,29.0,"Invalid WP multiplicities - A24B5_cI58_217_3g_ac:Re-Sc, expected Sc5Re36 to be Sc5Re24" +mp-1197212,ScReGe2,-7.4859860167,-0.4802230167,0.0,-0.0510548054,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Re-Sc,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Re-Sc +mp-1079071,EuTl3,-4.60141448,-0.26518167,0.0147884325,-0.0181636158,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Tl,8.0,AB3_hP8_194_c_h:Eu-Tl +mp-1064843,EuTl3,-4.6162029125,-0.2799701025,0.0,-0.0329520483,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Tl,4.0,AB3_cP4_221_a_c:Eu-Tl +mp-542584,EuTl,-6.47778345,-0.1679609767,0.114671457,0.114671457,GGA,Pm-3m,AB_cP2_221_a_b:Eu-Tl,2.0,AB_cP2_221_a_b:Eu-Tl +mp-867318,Eu3Tl,-8.4959571125,-0.2125449758,0.0,-0.0890359488,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Tl,8.0,A3B_hP8_194_h_c:Eu-Tl +mp-1186139,NaEu2Tl,-6.22568659,-0.17589358,0.0092249097,0.0092249097,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Na-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-Na-Tl +mp-30630,EuTl2,-5.3234534367,-0.3293574056,0.0,-0.0606248242,GGA,P6_3/mmc,AB2_hP6_194_b_f:Eu-Tl,6.0,AB2_hP6_194_b_f:Eu-Tl +mp-866047,NaEuTl2,-4.3641608675,-0.2879575208,0.0,-0.0409394666,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Eu-Na-Tl +mp-1186236,Nd2CdAg,-3.6019445450000003,-0.2790093879,0.0078960975,0.0078960975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Nd,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Nd +mp-1186295,NdCdAg2,-3.1215027975,-0.2824654977,0.0,-0.0044124076,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Nd,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Nd +mp-30368,Ca5Au3,-3.1687273131,-0.6875216381,0.0,-0.0150386706,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Au-Ca,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_c2l:Au-Ca, expected Ca3Au to be Ca5Au3" +mp-30366,Ca3Au,-2.8039971612,-0.4813267512,0.0041526894,0.0041526894,GGA,Pnma,AB3_oP16_62_c_cd:Au-Ca,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:Au-Ca, expected Ca5Au to be Ca3Au" +mp-12699,Ca3Au4,-3.51900798,-0.78867546,0.0,-0.0206012293,GGA,R-3,A4B3_hR42_148_abf_f:Au-Ca,14.0,A4B3_hR42_148_abf_f:Au-Ca +mp-30367,Ca5Au2,-2.9227998464,-0.5548336464,0.0,-0.008309711,GGA,C2/c,A2B5_mC28_15_f_e2f:Au-Ca,14.0,A2B5_mC28_15_f_e2f:Au-Ca +mp-568920,CaAu5,-3.46975655,-0.4072549033,0.0,-0.0515702875,GGA,F-43m,A5B_cF24_216_ae_c:Au-Ca,6.0,"Invalid WP multiplicities - A5B_cF24_216_a2e_c:Au-Ca, expected CaAu9 to be CaAu5" +mp-12723,CaAu,-3.45034392,-0.81060298,0.0,-0.0358142191,GGA,Cmcm,AB_oC8_63_c_c:Au-Ca,4.0,AB_oC8_63_c_c:Au-Ca +mp-30369,Ca7Au3,-2.9586873251,-0.5726028091,0.003460916,0.003460916,GGA,Pbca,A3B7_oP80_61_3c_7c:Au-Ca,80.0,A3B7_oP80_61_3c_7c:Au-Ca +mp-571264,Ca5Au4,-3.3332688172,-0.763987995,0.0,-0.0080878336,GGA,P2_1/c,A4B5_mP18_14_2e_a2e:Au-Ca,18.0,"Invalid WP multiplicities - A4B5_mP18_14_7e_2a4e:Au-Ca, expected Ca5Au7 to be Ca5Au4" +mp-443,CaAu2,-3.5624905250000003,-0.7113692317,0.0,-0.0613921559,GGA,Imma,A2B_oI12_74_h_e:Au-Ca,6.0,A2B_oI12_74_h_e:Au-Ca +mp-1183462,CaAu3,-3.4810958825,-0.5242844125,0.035027655,0.035027655,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Ca,4.0,A3B_cF16_225_ac_b:Au-Ca +mp-861950,Ca2SbAu,-3.8166603675,-0.9631396175,0.0,-0.030956433,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ca-Sb,4.0,AB2C_cF16_225_a_c_b:Au-Ca-Sb +mp-16245,CaSbAu,-4.0009669083,-0.8648058683000001,0.0,-0.1635633653,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ca-Sb,6.0,ABC_hP6_194_c_a_d:Au-Ca-Sb +mp-1227912,Ca11(Cd9Au2)2,-1.9975506961,-0.4287888064,0.0073513521,0.0073513521,GGA,I4_1md,A4B11C18_tI132_109_2ab_3a4b_3b3c:Au-Ca-Cd,66.0,A4B11C18_tI132_109_2ab_3a4b_3b3c:Au-Ca-Cd +mp-866010,CaCdAu2,-2.93551633,-0.56645292,0.0,-0.0039048934,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-Cd,4.0,A2BC_cF16_225_c_a_b:Au-Ca-Cd +mp-569628,CaCdAu,-2.6884321592,-0.6209749458,0.0,-0.0379431238,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Ca-Cd,12.0,ABC_oP12_62_c_c_c:Au-Ca-Cd +mp-1227574,Ca4Cd3Au5,-2.9070005258,-0.6436272925000001,0.0,-5.37752e-05,GGA,Pm,A5B4C3_mP12_6_2a3b_2a2b_2ab:Au-Ca-Cd,12.0,A5B4C3_mP12_6_2a3b_2a2b_2ab:Au-Ca-Cd +mp-1096182,Ca2CdAu,-1.212161905,0.839830975,1.4221833275,1.4221833275,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-Cd,4.0,AB2C_oI8_71_a_e_b:Au-Ca-Cd +mp-1078064,Ca(CdAu2)2,-2.8696491871000003,-0.4486624157,0.0,-0.0437081436,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Au-Ca-Cd,7.0,A4BC2_tI14_139_h_a_d:Au-Ca-Cd +mp-1227562,Ca4Cd3Au,-2.2013585575,-0.4432397075,0.0249873313,0.0249873313,GGA,P4/mmm,AB4C3_tP8_123_a_2h_bg:Au-Ca-Cd,8.0,"Invalid WP multiplicities - AB4C3_tP8_123_a_3h_b2g:Au-Ca-Cd, expected Ca6Cd5Au to be Ca4Cd3Au" +mp-862734,Pm2ZnSn,-4.21706634,-0.5244663125,0.0,-0.1173239492,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Sn-Zn +mp-1186605,PmLu3,-4.5716075475,0.0067409231,0.0067409231,0.0067409231,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Pm,8.0,A3B_hP8_194_h_c:Lu-Pm +mp-1186604,PmLuAl2,-4.554096815,-0.3634356894,0.0050861511,0.0050861511,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Lu-Pm,4.0,A2BC_cF16_225_c_a_b:Al-Lu-Pm +mp-11401,ScGa2Ni,-5.188848825,-0.6466493675,0.0,-0.0984972699,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ni-Sc,8.0,A2BC_oC16_63_f_c_c:Ga-Ni-Sc +mp-1219410,Sc3(Ga2Ni)2,-5.2809470122,-0.539828705,0.0845575953,0.0845575953,GGA,P3m1,A4B2C3_hP18_156_3a5b_3ab_6c:Ga-Ni-Sc,18.0,A4B2C3_hP18_156_3a5b_3ab_6c:Ga-Ni-Sc +mp-1025191,ScGa5Ni,-4.34378908,-0.4504910946,0.0,-0.0082681227,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ni-Sc,7.0,A5BC_tP7_123_ci_b_a:Ga-Ni-Sc +mp-11400,ScGaNi2,-5.80034375,-0.5701341281,0.0,-0.0231792281,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Sc +mp-1208973,Sc2Ga8Ni,-4.3451601736,-0.4660835309,0.0026552855,0.0026552855,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:Ga-Ni-Sc,11.0,A8BC2_tP11_123_ehi_a_g:Ga-Ni-Sc +mp-1096483,Sc2GaNi,-3.3091234775,2.0591692506,2.6189783069,2.6189783069,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Ni-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Ni-Sc +mp-1186942,Sc2GaNi,-5.906554325,-0.5382615969,0.0215474594,0.0215474594,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ni-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Ni-Sc +mp-1219142,Sc3Ga5Ni,-4.9662928678,-0.5309568558000001,0.0905162843,0.0905162843,GGA,C2,A5BC3_mC36_5_ab4c_c_3c:Ga-Ni-Sc,18.0,A5BC3_mC36_5_ab4c_c_3c:Ga-Ni-Sc +mp-1219310,ScGaNi,-5.6545805833,-0.6076799808000001,0.0,-0.00752137,GGA,C2/m,ABC_mC12_12_i_i_i:Ga-Ni-Sc,6.0,ABC_mC12_12_i_i_i:Ga-Ni-Sc +mp-1193055,Ca13Al14,-3.1676779252,-0.2598682933,0.0058637308,0.0058637308,GGA,C2/m,A14B13_mC54_12_gh3ij_a2i2j:Al-Ca,27.0,A14B13_mC54_12_gh3ij_a2i2j:Al-Ca +mp-2404,CaAl2,-3.4983202533,-0.3327364067,0.0,-0.107119634,GGA,Fd-3m,A2B_cF24_227_c_b:Al-Ca,6.0,A2B_cF24_227_c_b:Al-Ca +mp-1190736,Ca8Al3,-2.6347044377,-0.1545656623,0.0,-0.0178816898,GGA,P-1,A3B8_aP22_2_be2i_8i:Al-Ca,22.0,A3B8_aP22_2_be2i_8i:Al-Ca +mp-1749,CaAl4,-3.592371044,-0.194790404,0.00485144,0.00485144,GGA,I4/mmm,A4B_tI10_139_de_a:Al-Ca,5.0,"Invalid WP multiplicities - A4B_tI10_139_2de_a:Al-Ca, expected CaAl6 to be CaAl4" +mp-1227028,CaYbAl4,-3.4225577617000003,-0.3346391817,0.0035067317,0.0035067317,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-Yb,,A4BC_cF24_216_e_a_c:Al-Ca-Yb +mp-1214044,Ca4Al,-2.013417423,0.340177647,0.4535257993,0.4535257993,GGA,Fd-3m,AB4_cF40_227_a_e:Al-Ca,10.0,AB4_cF40_227_a_e:Al-Ca +mp-1199315,Lu3Ga2,-4.4656096395,-0.5418009185,0.0,-0.021716462,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Lu,40.0,A2B3_tI80_140_achl_ghm:Ga-Lu +mp-1094132,Lu5Ga3,-4.4590803075,-0.4979502241,0.009988137,0.009988137,GGA,C2/m,A3B5_mC32_12_ij_ghij:Ga-Lu,16.0,A3B5_mC32_12_ij_ghij:Ga-Lu +mp-1189223,Lu5Ga3,-4.4475329306,-0.4864028472,0.0215355139,0.0215355139,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Lu,16.0,A3B5_hP16_193_g_dg:Ga-Lu +mp-973300,Lu3Ga,-4.3842011887,-0.2364642931,0.1021612809,0.1021612809,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Lu,8.0,AB3_hP8_194_c_h:Ga-Lu +mp-495,LuGa3,-3.9012624875,-0.4999528406,0.0,-0.0683898731,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Lu,4.0,A3B_cP4_221_c_a:Ga-Lu +mp-973636,Lu2ZnGa,-3.8062456625,-0.4738104944,0.0111112662,0.0111112662,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Lu-Zn +mp-1077210,LuGa2,-4.1011314783,-0.57541729,0.0,-0.0056134425,GGA,Imma,A2B_oI12_74_h_e:Ga-Lu,6.0,A2B_oI12_74_h_e:Ga-Lu +mp-1001613,LuGa,-4.3831446575,-0.6086213862000001,0.0,-0.0388522756,GGA,Cmcm,AB_oC8_63_c_c:Ga-Lu,4.0,AB_oC8_63_c_c:Ga-Lu +mp-1202542,Lu3Ga5,-4.19264581,-0.6047293509,0.0,-0.0210110369,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ga-Lu,32.0,A5B3_oP32_62_3cd_cd:Ga-Lu +mp-1102210,DyRe2,-10.05450766,-0.22256059,0.0,-0.22256059,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Dy-Re,12.0,AB2_hP12_194_f_ah:Dy-Re +mp-1213146,Dy(Al5Re)2,-5.5051198962,-0.3549968569,0.0,-0.0185992156,GGA,Cmcm,A10BC2_oC104_63_de4f2gh_ac_h:Al-Dy-Re,52.0,A10BC2_oC104_63_de4f2gh_ac_h:Al-Dy-Re +mp-1229012,AgPd,-4.065101285,-0.0588823783,0.0,-0.0243537917,GGA,R-3m,AB_hR6_166_a_b:Ag-Pd,2.0,AB_hR6_166_a_b:Ag-Pd +mp-1183222,AgPd,-4.051298245,-0.0450793383,0.01380304,-0.0105507517,GGA,P-6m2,AB_hP2_187_a_d:Ag-Pd,2.0,AB_hP2_187_a_d:Ag-Pd +mp-1093894,ZnAgPd2,-1.948143935,1.6648718733,2.011519979,2.011519979,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Zn +mp-1187926,ZnAgPd2,-3.920033035,-0.3070172267,0.039630879,0.039630879,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Pd-Zn +mp-985296,Ag3Pd,-3.471180335,-0.05179288,0.0,-0.0223516908,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Pd,4.0,A3B_tI8_139_ad_b:Ag-Pd +mp-1183206,Ag3Pd,-3.4688647075,-0.0494772525,0.0023156275,-0.0200360633,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Pd,8.0,A3B_hP8_194_h_c:Ag-Pd +mp-1095964,Zn2AgPd,-1.5284428275000002,1.1045384308,1.4326911105,1.4326911105,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pd-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Pd-Zn +mp-1005895,Sm3Gd,-7.0389747087,0.0189954525,0.0189954525,0.0189954525,GGA,P6_3/mmc,AB3_hP8_194_c_h:Gd-Sm,8.0,AB3_hP8_194_c_h:Gd-Sm +mp-1187041,SmGdZn2,-5.6729274525,-0.3443785538,0.00300215,0.00300215,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Gd-Sm-Zn +mp-1187268,SmGd3,-11.71141527,0.0253229437,0.0253229437,0.0253229437,GGA,I4/mmm,A3B_tI8_139_ad_b:Gd-Sm,4.0,A3B_tI8_139_ad_b:Gd-Sm +mp-1005761,SmGd3,-11.7340303075,0.0027079063,0.0027079063,0.0027079063,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Sm,8.0,A3B_hP8_194_h_c:Gd-Sm +mp-861913,LiDy2Al,-3.9257815925,-0.2087634983,0.0064581104,0.0064581104,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Dy-Li,4.0,AB2C_cF16_225_a_c_b:Al-Dy-Li +mp-579518,Dy5Sn11,-4.7679533856,-0.5717518478,0.0,-0.0146872469,GGA,Immm,A5B11_oI32_71_aef_b2e3f:Dy-Sn,16.0,"Invalid WP multiplicities - A5B11_oI32_71_a2e2f_b4e5f:Dy-Sn, expected Dy9Sn19 to be Dy5Sn11" +mp-30624,Dy11Sn10,-5.0569446629,-0.734545911,0.0,-0.020382466,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Dy-Sn,42.0,A11B10_tI84_139_eh2n_dehim:Dy-Sn +mp-1199441,Dy5Sn4,-5.0763962053,-0.7350382475,0.0,-0.0050093753,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Dy-Sn,36.0,A5B4_oP36_62_c2d_2cd:Dy-Sn +mp-20021,DySn2,-4.7975581467,-0.58891463,0.0,-0.0011126633,GGA,Cmcm,AB2_oC12_63_c_2c:Dy-Sn,6.0,AB2_oC12_63_c_2c:Dy-Sn +mp-574085,Dy5Sn13,-4.6794461256,-0.5039812192,0.0042426456,0.0042426456,GGA,Immm,A5B13_oI36_71_aef_b3e3f:Dy-Sn,18.0,"Invalid WP multiplicities - A5B13_oI36_71_a2e2f_b6e5f:Dy-Sn, expected Dy9Sn23 to be Dy5Sn13" +mp-1078505,DySn3,-4.5185382438,-0.3596626425,0.0977388357,0.0977388357,GGA,Amm2,AB3_oC16_38_ab_3a3b:Dy-Sn,8.0,AB3_oC16_38_ab_3a3b:Dy-Sn +mp-570860,DySn3,-4.58351056,-0.4246349588,0.0327665195,0.0327665195,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Sn,4.0,AB3_cP4_221_a_c:Dy-Sn +mp-867348,DyMgSn,-3.9738058417,-0.5682595933,0.0,-0.0763675708,GGA,I4/mmm,ABC_tI12_139_e_c_e:Dy-Mg-Sn,6.0,ABC_tI12_139_e_c_e:Dy-Mg-Sn +mp-568064,Dy2Sn5,-4.6855988193,-0.5053941114,0.0173504351,0.0173504351,GGA,Pmmn,A2B5_oP14_59_ab_2a3b:Dy-Sn,14.0,"Invalid WP multiplicities - A2B5_oP14_59_2ab_6a3b:Dy-Sn, expected DySn3 to be Dy2Sn5" +mp-30623,Dy5Sn3,-5.1029790706,-0.72014785,0.0,-0.0999593287,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Sn,16.0,A5B3_hP16_193_dg_g:Dy-Sn +mp-865842,Ti2OsRu,-9.817700565,-0.7445120642,0.0,-0.00942592,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Os-Ru-Ti +mp-1186342,NpScTc2,-10.09494989,-0.0945682209,0.1342074547,0.1342074547,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Np-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Np-Sc-Tc +mp-978994,TmPa3,-8.091634595,0.1633227558,0.1633227558,0.1633227558,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Tm,4.0,A3B_cP4_221_c_a:Pa-Tm +mp-862776,TmPaOs2,-9.3806776125,-0.2693688767,0.0054036494,0.0054036494,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Pa-Tm,4.0,A2BC_cF16_225_c_a_b:Os-Pa-Tm +mp-865094,HfNbTc2,-10.6369075025,-0.4419645125,0.0,-0.1351163675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Nb-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Nb-Tc +mp-1077466,CaBi2,-3.7953692417,-0.5665098617000001,0.0,-0.0259090259,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Ca,6.0,A2B_oC12_63_2c_c:Bi-Ca +mp-974568,Re3Bi,-9.316833795,0.9766838762,0.9766838762,0.9766838762,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Re,8.0,AB3_hP8_194_c_h:Bi-Re +mp-1227392,Ca2Bi7,-3.6243926433,-0.19165668,0.1860165611,0.1860165611,GGA,C2/m,A7B2_mC18_12_aij_g:Bi-Ca,9.0,"Invalid WP multiplicities - A7B2_mC18_12_a2i2j_g:Bi-Ca, expected Ca2Bi13 to be Ca2Bi7" +mp-631458,CaReBi,-5.3631324533,0.7337396117,1.2650621919,1.2650621919,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ca-Re,3.0,ABC_cF12_216_a_b_c:Bi-Ca-Re +mp-569535,Ca2Bi,-3.389296345,-0.772066715,0.0,-0.0102364447,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Ca,6.0,"Invalid WP multiplicities - AB2_tI12_139_e_2c2e:Bi-Ca, expected Ca4Bi to be Ca2Bi" +mp-27298,Ca11Bi10,-3.7092653945,-0.8299087288,0.0,-0.0736524558,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Bi-Ca,42.0,A10B11_tI84_139_dehim_eh2n:Bi-Ca +mp-866006,CaBi3,-3.79579545,-0.4140286325,0.0108537638,0.0108537638,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Ca,4.0,A3B_cP4_221_c_a:Bi-Ca +mp-27145,Ca5Bi3,-3.5507424028,-0.8570590541,0.0,-0.0681217517,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Ca,32.0,A3B5_oP32_62_cd_3cd:Bi-Ca +mp-1013735,Ca3Bi2,-3.2265529,-0.48699732,0.3633540066,0.3633540066,GGA,Pm-3m,A2B3_cP5_221_ab_c:Bi-Ca,5.0,A2B3_cP5_221_ab_c:Bi-Ca +mp-1093954,Be2PdAu,-2.387181385,1.595966,1.9653167072,1.9653167072,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Be-Pd,4.0,AB2C_oI8_71_a_e_b:Au-Be-Pd +mp-865929,Cd2PtRh,-4.011429925,-0.1911247475,0.0,-0.02193845,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Pt-Rh,4.0,A2BC_cF16_225_c_a_b:Cd-Pt-Rh +mp-972044,YbTh3,-5.7991775975,0.14611816,0.14611816,0.14611816,GGA,Pm-3m,A3B_cP4_221_c_a:Th-Yb,,A3B_cP4_221_c_a:Th-Yb +mp-979987,YbThPt2,-6.407292105,-1.1333588125,0.0166736395,0.0166736395,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Th-Yb,,A2BC_cF16_225_c_a_b:Pt-Th-Yb +mp-1018824,NpSbTe,-7.531388485,-0.7913595468,0.0,-0.1331766947,GGA,P4/nmm,ABC_tP6_129_c_a_c:Np-Sb-Te,6.0,ABC_tP6_129_c_a_c:Np-Sb-Te +mp-1227401,Ca(DyTe2)2,-5.10649828,-1.7075844038,0.0105165143,0.0105165143,GGA,P2/m,AB2C4_mP7_10_c_bd_mn:Ca-Dy-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Ca-Dy-Te, expected Ca(DyTe4)2 to be Ca(DyTe2)2" +mp-1183828,DyErCd2,-3.0669309975,-0.311859705,0.0057783225,0.0057783225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Er,4.0,A2BC_cF16_225_c_a_b:Cd-Dy-Er +mp-864971,MnSnRu2,-8.0475012525,-0.1174031957,0.0,-0.0402348774,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Mn-Ru-Sn +mp-999557,Mn2SnRu,-7.822882435,0.0791188098,0.1695890865,0.1695890865,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Ru-Sn,4.0,A2BC_cF16_216_ac_b_d:Mn-Ru-Sn +mp-1221551,MnRu,-9.17085868,0.047350236,0.0500080482,0.0500080482,GGA,P-6m2,AB_hP2_187_a_d:Mn-Ru,2.0,AB_hP2_187_a_d:Mn-Ru +mp-865045,MnRu3,-9.2502924463,-0.0039867182,0.0,-0.0039867182,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Ru,8.0,AB3_hP8_194_c_h:Mn-Ru +mp-1206712,ErNiBi,-5.40735823,-0.6779100233,0.0,-0.0980539611,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Er-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Er-Ni +mp-1213249,Er5Ni2Bi,-5.2529270163,-0.4730074488,0.0,-0.0028958641,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Er-Ni,16.0,AB5C2_tI32_140_a_cl_h:Bi-Er-Ni +mp-1097125,In2SnHg,-1.519251435,0.934903485,0.934903485,0.934903485,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-In-Sn,4.0,AB2C_oI8_71_a_e_b:Hg-In-Sn +mp-1097505,InSnHg2,-0.9749636675,0.8671904112000001,0.8671904112000001,0.8671904112000001,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Sn,4.0,A2BC_oI8_71_e_a_b:Hg-In-Sn +mp-541582,ReSe2,-7.1929817242,-0.7141983441,0.0,-0.7141983441,GGA,P-1,AB2_aP12_2_2i_4i:Re-Se,12.0,AB2_aP12_2_2i_4i:Re-Se +mp-1102379,ReSe2,-6.8923209933,-0.4135376132,0.3006607308,-0.4135376132,GGA,P-6m2,AB2_hP12_187_adg_gh2i:Re-Se,12.0,AB2_hP12_187_adg_gh2i:Re-Se +mp-1193800,Hf9Re4Se,-10.63170503,-0.4253677809,0.0,-0.002141022,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Re-Se,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Re-Se +mp-1184437,EuInAg2,-4.9467340475,-0.2782846633,0.0260525873,0.0260525873,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-In,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-In +mp-1103870,Eu(In2Ag)4,-3.43296153,-0.0790618644,0.0507485268,0.0507485268,GGA,I4/mmm,A4BC8_tI26_139_f_a_ij:Ag-Eu-In,13.0,A4BC8_tI26_139_f_a_ij:Ag-Eu-In +mp-1207339,Lu2CuSb3,-1.8512759217,2.4034093167,3.1773072433,3.1773072433,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Lu-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Lu-Sb +mp-1080126,LuCuSb2,-4.82523315,-0.6056932325000001,0.0,-0.0352575694,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Lu-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Lu-Sb +mp-1096488,Sc2HgOs,-3.8818445675,2.1671519338,2.5700178364,2.5700178364,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Os-Sc,4.0,ABC2_oI8_71_a_b_e:Hg-Os-Sc +mp-1105078,Hf3In4,-5.8701939257,-0.0304364957,0.0766119157,0.0766119157,GGA,P4/mbm,A3B4_tP14_127_cg_j:Hf-In,14.0,A3B4_tP14_127_cg_j:Hf-In +mp-1224456,HfInPt2,-7.025036825,-0.812251975,0.0657772898,0.0657772898,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Hf-In-Pt,4.0,ABC2_tP4_123_a_b_h:Hf-In-Pt +mp-22050,Hf2In5,-4.9442100443,-0.1338105143,0.0,-0.1135195171,GGA,P4/mbm,A2B5_tP14_127_g_cj:Hf-In,14.0,"Invalid WP multiplicities - A2B5_tP14_127_g_c2j:Hf-In, expected Hf2In9 to be Hf2In5" +mp-1079673,ThSe3,-6.1961538475,-1.7207556768,0.0,-0.1870267587,GGA,P2_1/m,A3B_mP8_11_3e_e:Se-Th,8.0,A3B_mP8_11_3e_e:Se-Th +mp-7951,ThSe2,-6.8468656258,-2.0449718907,0.0,-0.0979349847,GGA,Pnma,A2B_oP12_62_2c_c:Se-Th,12.0,A2B_oP12_62_2c_c:Se-Th +mp-1217439,Th7Se12,-6.9816787647,-2.0423132131,0.0,-0.0283392809,GGA,P-6,A12B7_hP19_174_2j2k_ajk:Se-Th,19.0,A12B7_hP19_174_2j2k_ajk:Se-Th +mp-10646,ThSe,-7.06204249,-1.6071576262,0.178233575,0.047905515,GGA,Pm-3m,AB_cP2_221_a_b:Se-Th,2.0,AB_cP2_221_a_b:Se-Th +mp-2183,ThSe,-7.240276065,-1.7853912012,0.0,-0.13032806,GGA,Fm-3m,AB_cF8_225_a_b:Se-Th,2.0,AB_cF8_225_a_b:Se-Th +mp-17282,SrTh2Se5,-6.3898565509,-2.1402606332,0.0,-0.0319519628,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Se-Sr-Th,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_9e_e_2e:Se-Sr-Th, expected SrTh2Se9 to be SrTh2Se5" +mp-1187062,Th3Se,-6.8267073938,-0.3923358368,0.5003597637,0.5003597637,GGA,P6_3/mmc,AB3_hP8_194_c_h:Se-Th,8.0,AB3_hP8_194_c_h:Se-Th +mp-1187156,Sr3Th,-2.7157780625,0.40480659,0.40480659,0.40480659,GGA,I4/mmm,A3B_tI8_139_ad_b:Sr-Th,4.0,A3B_tI8_139_ad_b:Sr-Th +mp-1187140,Sr3Th,-2.717510555,0.4030740975,0.4030740975,0.4030740975,GGA,Fm-3m,A3B_cF16_225_ac_b:Sr-Th,4.0,A3B_cF16_225_ac_b:Sr-Th +mp-1105994,Th2Se3,-7.049165956,-1.9860757694,0.0,-0.0054238392,GGA,Pnma,A3B2_oP20_62_3c_2c:Se-Th,20.0,A3B2_oP20_62_3c_2c:Se-Th +mp-1186782,SrTh3,-5.6563405212,0.3264265296,0.3264265296,0.3264265296,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sr-Th,8.0,AB3_hP8_194_c_h:Sr-Th +mp-680343,Ta21Te13,-8.9392412572,-0.4134675265,0.0,-0.0247830749,GGA,P6mm,A21B13_hP136_183_abc3d6e2f_2ab3d5e:Ta-Te,136.0,"Invalid WP multiplicities - A21B13_hP136_183_a2b3c17d31e22f_2a2b14d26e:Ta-Te, expected Ta283Te123 to be Ta21Te13" +mp-1190788,TaTe4Rh,-5.992182355,-0.6929641761,0.0,-0.0298169281,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Rh-Ta-Te,24.0,ABC4_oP24_31_2a_2a_8a:Rh-Ta-Te +mp-1967,TaTe2,-6.692293103,-0.6441632974,0.0,-0.0369100567,GGA,C2/m,AB2_mC54_12_agij_3i3j:Ta-Te,27.0,"Invalid WP multiplicities - AB2_mC54_12_agij_3i4j:Ta-Te, expected Ta9Te22 to be TaTe2" +mp-601823,TaTe2,-6.6914840544,-0.6433542489,0.0008090485,-0.0361010082,GGA,C2/m,AB2_mC18_12_ai_3i:Ta-Te,9.0,AB2_mC18_12_ai_3i:Ta-Te +mp-22817,TaTe4,-5.474012183,-0.5878119423,0.0140765777,-0.2013139639,GGA,P4/mcc,AB4_tP10_124_a_m:Ta-Te,10.0,AB4_tP10_124_a_m:Ta-Te +mp-202,TaTe4,-5.4849377022,-0.5987374615000001,0.0031510585,-0.2122394831,GGA,P4/ncc,AB4_tP60_130_3c_3g:Ta-Te,60.0,"Invalid WP multiplicities - AB4_tP60_130_3c_4g:Ta-Te, expected Ta3Te16 to be TaTe4" +mp-680259,TaTe4,-5.4880887607,-0.60188852,0.0,-0.2153905416,GGA,P4/ncc,AB4_tP120_130_a3ce_6g:Ta-Te,120.0,"Invalid WP multiplicities - AB4_tP120_130_3a9c6e_83g:Ta-Te, expected Ta6Te83 to be TaTe4" +mp-542634,Ta2Te3,-7.239030189,-0.609935601,0.0,-0.0198664844,GGA,C2/m,A2B3_mC20_12_2i_3i:Ta-Te,10.0,A2B3_mC20_12_2i_3i:Ta-Te +mp-976406,MgMnPt2,-6.3137711875,-0.5876306920000001,0.0,-0.0587358937,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Mn-Pt,4.0,ABC2_cF16_225_a_b_c:Mg-Mn-Pt +mp-1189162,Er4Ge6Ir7,-7.2358422153,-0.8900727076,0.0,-0.1305654725,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Er-Ge-Ir,17.0,A4B6C7_cI34_229_c_e_ad:Er-Ge-Ir +mp-21153,ErGeIr,-6.960442425,-0.9507154767,0.0,-0.0642800283,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Ir,12.0,ABC_oP12_62_c_c_c:Er-Ge-Ir +mp-1203614,Er5(Ge5Ir2)2,-6.2420578871,-0.7461310808,0.0076402278,0.0076402278,GGA,P4/mbm,A5B10C4_tP38_127_a2h_gij_i:Er-Ge-Ir,38.0,A5B10C4_tP38_127_a2h_gij_i:Er-Ge-Ir +mp-1203775,Er3Ge13Ir4,-5.9632704008,-0.5054576375000001,0.009599453,0.009599453,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Er-Ge-Ir,40.0,A3B13C4_cP40_223_c_ak_e:Er-Ge-Ir +mp-18606,ErGe2Ir,-6.4461187331,-0.7830665581,0.0,-0.0243480346,GGA,Immm,AB2C_oI32_71_eg_efn_n:Er-Ge-Ir,16.0,"Invalid WP multiplicities - AB2C_oI32_71_2e2g_e2fn_n:Er-Ge-Ir, expected Er4Ge5Ir2 to be ErGe2Ir" +mp-978016,LaSn2Pd,-5.3218697775,-0.7881116212,0.0095677239,0.0095677239,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Pd-Sn,8.0,ABC2_oC16_63_c_c_2c:La-Pd-Sn +mp-1095476,LaSnPd,-5.6333608392,-0.9248739158,0.0192236519,-0.1008728004,GGA,Pnma,ABC_oP12_62_c_c_c:La-Pd-Sn,12.0,ABC_oP12_62_c_c_c:La-Pd-Sn +mp-12510,LaSnPd,-5.6525844911,-0.9440975678,0.0,-0.1200964523,GGA,P-62m,ABC_hP9_189_f_ad_g:La-Pd-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:La-Pd-Sn, expected La3Sn3Pd5 to be LaSnPd" +mp-31295,La3(Sn3Pd2)2,-5.4069373729,-0.8234773971,0.0,-0.0387992463,GGA,Pnma,A3B4C6_oP52_62_3c_4c_6c:La-Pd-Sn,52.0,A3B4C6_oP52_62_3c_4c_6c:La-Pd-Sn +mp-1187995,Yb3Sm,-2.2364161225,0.0979366213,0.0979366213,0.0979366213,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sm-Yb,,AB3_hP8_194_c_h:Sm-Yb +mp-865991,YbSmZn2,-2.53474597,-0.3403255612,0.0,-0.0122128025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sm-Yb-Zn,,ABC2_cF16_225_a_b_c:Sm-Yb-Zn +mp-979988,YbSm3,-3.8529136375,0.0709280338,0.0709280338,0.0709280338,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Yb,,A3B_tI8_139_ad_b:Sm-Yb +mp-981364,YbSm3,-3.8385389813,0.08530269,0.08530269,0.08530269,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sm-Yb,,A3B_hP8_194_h_c:Sm-Yb +mp-1220700,Nb2Al3Ir,-7.3407659175,-0.6278039592,0.0,-0.0764816944,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Ir-Nb,12.0,A3BC2_hP12_194_h_a_f:Al-Ir-Nb +mp-1210041,Nb6Al11Ir,-6.5719170783,-0.42482827,0.0523411047,0.0523411047,GGA,P6_3/mcm,A11BC6_hP36_193_dgj_b_k:Al-Ir-Nb,36.0,A11BC6_hP36_193_dgj_b_k:Al-Ir-Nb +mp-864839,Zn2PdRh,-4.2807684875,-0.5148492625000001,0.0,-0.03452312,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Zn +mp-1097427,AlFeTc2,-4.690091735,3.5441269975000003,3.85493579,3.85493579,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Fe-Tc,4.0,ABC2_oI8_71_a_b_e:Al-Fe-Tc +mp-1183188,AlTc3,-8.8193833437,-0.1125101775,0.198298615,0.198298615,GGA,P6_3/mmc,AB3_hP8_194_c_h:Al-Tc,8.0,AB3_hP8_194_c_h:Al-Tc +mp-1070275,Al3Tc2,-6.555277474,-0.163676398,0.2266666143,0.2266666143,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Tc,5.0,A3B2_hP5_164_ad_d:Al-Tc +mp-1097081,Al2FeTc,-3.8308806425,2.7495723113,3.1127002082,3.1127002082,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Fe-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Fe-Tc +mp-867347,Al3Tc,-5.7181433175,-0.3188017088,0.0580026536,0.0580026536,GGA,I4/mmm,A3B_tI8_139_ad_b:Al-Tc,4.0,A3B_tI8_139_ad_b:Al-Tc +mp-16718,Al6Tc,-4.9627768429,-0.2721919964,0.0085497604,0.0085497604,GGA,Cmcm,A6B_oC28_63_efg_c:Al-Tc,14.0,A6B_oC28_63_efg_c:Al-Tc +mp-1018166,AlTc2,-8.57002963,-0.4144117233,0.0,-0.2592902737,GGA,I4/mmm,AB2_tI6_139_a_e:Al-Tc,3.0,AB2_tI6_139_a_e:Al-Tc +mp-1104047,Al4Tc,-5.440879932,-0.372291479,0.0,-0.0752409693,GGA,Cm,A4B_mC30_8_2a5b_ab:Al-Tc,15.0,A4B_mC30_8_2a5b_ab:Al-Tc +mp-16719,Al12Tc,-4.4295343008,-0.1751074619,0.0,-0.0285425408,GGA,Im-3,A12B_cI26_204_g_a:Al-Tc,13.0,A12B_cI26_204_g_a:Al-Tc +mp-1213948,CaZnPd,-3.4529792267,-0.6379041267000001,0.0,-0.1031929418,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pd-Zn,12.0,ABC_oP12_62_c_c_c:Ca-Pd-Zn +mp-1097116,Ca2ZnPd,-1.54948323,1.063223065,1.5785800756,1.5785800756,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Pd-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Pd-Zn +mp-1185679,Mg16Al12In,-2.552621381,-0.0249291572,0.0085901421,0.0085901421,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-In-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-In-Mg, expected Mg26Al20In to be Mg16Al12In" +mp-1185685,Mg16Al12In,-2.5462839514,-0.0185917276,0.0149275717,0.0149275717,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-In-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-In-Mg, expected Mg60Al12In to be Mg16Al12In" +mp-1185741,Mg17Al11In,-2.478395571,-0.0246790638,0.0095320984,0.0095320984,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-In-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-In-Mg, expected Mg27Al19In to be Mg17Al11In" +mp-1213158,Er5(SiSb)2,-5.6086714239,-0.9478678028,0.0,-0.0360660614,GGA,Cmce,A5B2C2_oC36_64_ag_d_f:Er-Sb-Si,18.0,A5B2C2_oC36_64_ag_d_f:Er-Sb-Si +mp-10457,HfSiPd,-7.8112653133,-0.95713569,0.0,-0.1710920275,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Pd-Si,12.0,ABC_oP12_62_c_c_c:Hf-Pd-Si +mp-1184029,Ga3Si,-3.403339965,0.2240615594,0.2240615594,0.2240615594,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Si,8.0,A3B_hP8_194_h_c:Ga-Si +mp-1183973,Ga3Si,-3.40485925,0.2225422744,0.2225422744,0.2225422744,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Si,4.0,A3B_cP4_221_c_a:Ga-Si +mp-1183982,Ga3Si,-3.41702183,0.2103796944,0.2103796944,0.2103796944,GGA,Fm-3m,A3B_cF16_225_ac_b:Ga-Si,4.0,A3B_cF16_225_ac_b:Ga-Si +mp-1218980,SmGaSi,-5.0524124533,-0.6617457242,0.0,-0.0466622217,GGA,I4_1md,ABC_tI12_109_a_a_a:Ga-Si-Sm,6.0,ABC_tI12_109_a_a_a:Ga-Si-Sm +mp-1184252,GaSi3,-4.311198655,0.5148138731,0.5148138731,0.5148138731,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Si,4.0,AB3_tI8_139_a_bd:Ga-Si +mp-983359,GaSi3,-4.3065585175,0.5194540106000001,0.5194540106000001,0.5194540106000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Si,4.0,AB3_cF16_225_a_bc:Ga-Si +mp-1183818,DyLuRu2,-7.31266858,-0.39353297,0.0108651418,0.0108651418,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Lu-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Lu-Ru +mp-646926,GdRu2,-11.1316205133,-0.25664474,0.0,-0.25664474,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-Ru,6.0,AB2_cF24_227_a_d:Gd-Ru +mp-1184415,Gd2AgRu,-10.3731939925,-0.3083932367,0.0,-0.057807685,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Ru +mp-1187618,YbNdPd2,-4.9916281625,-0.8247483294,0.0132414975,0.0132414975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nd-Pd-Yb,,AB2C_cF16_225_a_c_b:Nd-Pd-Yb +mp-1187982,Yb3Nd,-2.2592084075,0.0875346606,0.0875346606,0.0875346606,GGA,Fm-3m,AB3_cF16_225_a_bc:Nd-Yb,,AB3_cF16_225_a_bc:Nd-Yb +mp-982377,YbNd3,-3.8866889225,0.0743237219,0.0743237219,0.0743237219,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Yb,,A3B_hP8_194_h_c:Nd-Yb +mp-1185343,LiCe3,-4.662215915,0.2648316679,0.2648316679,0.2648316679,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Li,4.0,A3B_cP4_221_c_a:Ce-Li +mp-1185231,Li3Ce,-2.5813303025,0.3336341363,0.3336341363,0.3336341363,GGA,Fm-3m,AB3_cF16_225_a_bc:Ce-Li,4.0,AB3_cF16_225_a_bc:Ce-Li +mp-1018762,Li3CeBi2,-3.894446595,-0.6709739258,0.0,-0.0304416817,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Bi-Ce-Li,6.0,A2BC3_hP6_164_d_a_bd:Bi-Ce-Li +mp-27396,NiCl2,-4.19571367,-1.03664367,0.0,-0.5516626367,GGA,R-3m,A2B_hR9_166_c_a:Cl-Ni,3.0,A2B_hR9_166_c_a:Cl-Ni +mp-1094137,Ni15Cl16,-4.0763892948,-0.3254655284,0.4770973129,0.4770973129,GGA,Im-3m,A16B15_cI62_229_cde_bh:Cl-Ni,31.0,"Invalid WP multiplicities - A16B15_cI62_229_4c3d4e_3b4h:Cl-Ni, expected Ni57Cl58 to be Ni15Cl16" +mp-1096769,Ni3Cl4,-4.1550188957,-0.6215107986,0.2670409186,0.2670409186,GGA,C2/m,A4B3_mC28_12_4i_ad2i:Cl-Ni,14.0,"Invalid WP multiplicities - A4B3_mC28_12_7i_ac4i:Cl-Ni, expected Ni5Cl7 to be Ni3Cl4" +mp-1096770,Ni3Cl4,-4.15705514,-0.6235470429000001,0.2650046743,0.2650046743,GGA,Cmmm,A4B3_oC14_65_gj_af:Cl-Ni,7.0,A4B3_oC14_65_gj_af:Cl-Ni +mp-1207348,NiCl6,-2.5893988586,-0.1792050529,0.2650708057,0.2650708057,GGA,Cmmm,A6B_oC14_65_kp_a:Cl-Ni,7.0,A6B_oC14_65_kp_a:Cl-Ni +mp-1094110,Ni5Cl6,-4.1520516255,-0.5164240473,0.3317389555,0.3317389555,GGA,C2/m,A6B5_mC22_12_ij_agh:Cl-Ni,11.0,"Invalid WP multiplicities - A6B5_mC22_12_2i3j_a2gh:Cl-Ni, expected Ni7Cl16 to be Ni5Cl6" +mp-1211124,Li6NiCl8,-4.0343030087,-1.899505198,0.0173629633,0.0173629633,GGA,Fm-3m,A8B6C_cF60_225_ce_d_a:Cl-Li-Ni,15.0,A8B6C_cF60_225_ce_d_a:Cl-Li-Ni +mp-1186339,NiCl,-4.1758847925,-0.3615481225,0.41593463,0.41593463,GGA,P6_3mc,AB_hP4_186_b_b:Cl-Ni,4.0,AB_hP4_186_b_b:Cl-Ni +mp-1021674,NiCl,-4.0395689,-0.22523223,0.5522505225000001,0.5522505225000001,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Ni,2.0,AB_cF8_225_a_b:Cl-Ni +mp-1022720,Ni6Cl7,-4.1246116758,-0.4614903912,0.3757987269,0.3757987269,GGA,P-1,A7B6_aP26_2_7i_ac5i:Cl-Ni,26.0,"Invalid WP multiplicities - A7B6_aP26_2_13i_ac9i:Cl-Ni, expected Ni10Cl13 to be Ni6Cl7" +mp-973314,Ho2PdRh,-6.3345854025,-0.9073335475,0.02179179,0.02179179,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Ho-Pd-Rh +mp-1077397,ScCdNi4,-5.4269330717,-0.3642821408,0.0,-0.0702567343,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Sc,6.0,AB4C_cF24_216_a_e_c:Cd-Ni-Sc +mp-864963,Dy2CuIr,-6.138540555,-0.6007369225,0.0188214884,0.0188214884,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Dy-Ir,4.0,AB2C_cF16_225_a_c_b:Cu-Dy-Ir +mp-11369,ErHg2,-2.0814460167,-0.3564195033,0.0223240308,0.0223240308,GGA,P6/mmm,AB2_hP3_191_a_d:Er-Hg,3.0,AB2_hP3_191_a_d:Er-Hg +mp-2468,ErHg,-2.920685995,-0.4849864075,0.0,-0.211816015,GGA,Pm-3m,AB_cP2_221_a_b:Er-Hg,2.0,AB_cP2_221_a_b:Er-Hg +mp-1184154,Er3Hg,-3.650005925,-0.1482967262,0.0941964775,0.0941964775,GGA,Pm-3m,A3B_cP4_221_c_a:Er-Hg,4.0,A3B_cP4_221_c_a:Er-Hg +mp-1184102,Er2InHg,-3.49703231,-0.4493318812,0.0039549625,0.0039549625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Hg-In,4.0,A2BC_cF16_225_c_a_b:Er-Hg-In +mp-866102,ErHg3,-1.6953120738,-0.3256220975,0.0,-0.05830747,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Hg,8.0,AB3_hP8_194_c_h:Er-Hg +mp-1217324,Th2Ge3,-6.263589574,-0.5242295610000001,0.165354087,0.165354087,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Th,5.0,A3B2_hP5_187_abc_i:Ge-Th +mp-1018175,ThAu,-5.959141395,-0.61527127,0.0,-0.021709014,GGA,Cmcm,AB_oC8_63_c_c:Au-Th,4.0,AB_oC8_63_c_c:Au-Th +mp-865180,ThAu3,-4.9405221925,-0.63164613,0.0188326713,0.0188326713,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-Th,8.0,A3B_hP8_194_h_c:Au-Th +mp-1187403,ThAu3,-4.9282741275,-0.619398065,0.0310807363,0.0310807363,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Th,4.0,A3B_cF16_225_ac_b:Au-Th +mp-16249,Th(GeAu)2,-5.091367622,-0.44983203,0.0398929488,0.0398929488,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Ge-Th,5.0,A2B2C_tI10_139_d_e_a:Au-Ge-Th +mp-979039,Th3Au,-6.5094801825,-0.130615995,0.1848072825,0.1848072825,GGA,Pm-3m,AB3_cP4_221_a_c:Au-Th,4.0,AB3_cP4_221_a_c:Au-Th +mp-1025,ThAu2,-5.3730864933,-0.71921241,0.0,-0.0707391773,GGA,P6/mmm,A2B_hP3_191_c_b:Au-Th,3.0,A2B_hP3_191_c_b:Au-Th +mp-314,Th3Ge2,-6.99305762,-0.6955315280000001,0.0,-0.043226855,GGA,P4/mbm,A2B3_tP10_127_g_ah:Ge-Th,10.0,A2B3_tP10_127_g_ah:Ge-Th +mp-16372,ThGe2,-6.1605603567,-0.6072557033,0.0308492283,-0.096054555,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Th,6.0,A2B_oC12_63_2c_c:Ge-Th +mp-16371,ThGe2,-6.191409585,-0.6381049317,0.0,-0.1269037833,GGA,Cmmm,A2B_oC12_65_acg_h:Ge-Th,6.0,A2B_oC12_65_acg_h:Ge-Th +mp-10128,ThGe2,-6.079199235,-0.5258945817,0.11221035,-0.0146934333,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Th,6.0,A2B_tI12_141_e_a:Ge-Th +mp-865377,Th3Au4,-5.7158617429,-0.6677042071,0.0,-0.0078867343,GGA,R-3,A4B3_hR42_148_abf_f:Au-Th,14.0,A4B3_hR42_148_abf_f:Au-Th +mp-1629,Th2Au,-6.4544305367,-0.42056437,0.0,-0.0103835233,GGA,I4/mcm,AB2_tI12_140_a_h:Au-Th,6.0,AB2_tI12_140_a_h:Au-Th +mp-1217580,Th14Au51,-4.78749711,-0.6219279177,0.0,-0.0777404826,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Th,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Th, expected Th14Au71 to be Th14Au51" +mp-16370,Th2Ge,-7.0595547583,-0.5759733067,0.0036363,0.0036363,GGA,I4/mcm,AB2_tI12_140_a_h:Ge-Th,6.0,AB2_tI12_140_a_h:Ge-Th +mp-1093,ThGe,-6.785244775,-0.7668017225,0.0,-0.0928051681,GGA,Fm-3m,AB_cF8_225_a_b:Ge-Th,2.0,AB_cF8_225_a_b:Ge-Th +mp-1206453,Sm2CdCu2,-3.983457168,-0.271762094,0.0,-0.004992826,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Sm,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Sm +mp-1079797,SmCdCu,-3.5222707256,-0.2753765372,0.0070070328,0.0070070328,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Cu-Sm,9.0,ABC_hP9_189_f_bc_g:Cd-Cu-Sm +mp-1184163,ErCdAu2,-3.6824462375,-0.672853095,0.0,-0.0126522425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Er,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Er +mp-1206166,ErCdAu,-3.5648685067,-0.64337165,0.0,-0.0330079576,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Er,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Er +mp-867315,CaGdHg2,-4.7092091825,-0.5369384700000001,0.0,-0.00553224,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Gd-Hg,4.0,ABC2_cF16_225_a_b_c:Ca-Gd-Hg +mp-1186665,PmTmCu2,-4.56855441,-0.2123566385,0.0042950306,0.0042950306,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Pm-Tm +mp-1096082,Li2HgPb,-1.15215445,0.8063888421000001,1.1292302825,1.1292302825,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Pb,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Pb +mp-1187384,TbTmIn2,-4.0947499575,-0.4413577117,0.0,-0.022191243,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Tb-Tm,4.0,A2BC_cF16_225_c_a_b:In-Tb-Tm +mp-1093816,Hf2FeRu,-6.13108212,3.2836183325,3.8302299022,3.8302299022,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Hf-Ru,4.0,AB2C_oI8_71_a_e_b:Fe-Hf-Ru +mp-971868,TmMgAg2,-3.2428313725,-0.3075245025,0.0,-0.006424785,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Tm,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Tm +mp-1206263,TmMgAg,-3.2367191689,-0.26716201,0.0,-0.0244526952,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Tm,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Tm +mp-1204965,Ba7Ge6,-3.7269177365,-0.5599183742,0.0122941604,0.0122941604,GGA,Pnma,A7B6_oP52_62_c3d_2c2d:Ba-Ge,52.0,A7B6_oP52_62_c3d_2c2d:Ba-Ge +mp-2139,BaGe2,-4.2519333812,-0.5302564979000001,0.0,-0.0416067438,GGA,Pnma,AB2_oP24_62_2c_2cd:Ba-Ge,24.0,AB2_oP24_62_2c_2cd:Ba-Ge +mp-2611,BaGe2,-4.2268314183,-0.5051545350000001,0.0251019629,-0.0165047809,GGA,I4_1/amd,AB2_tI12_141_a_e:Ba-Ge,6.0,AB2_tI12_141_a_e:Ba-Ge +mp-1188954,Ba3Ge5,-4.15841191,-0.5494038981,0.0,-0.0018202451,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ba-Ge,16.0,A3B5_oC32_63_ce_cfg:Ba-Ge +mp-1214616,Ba4Ge23,-4.4017105317,-0.1792831085,0.0563864461,0.0563864461,GGA,Pm-3n,A4B23_cP54_223_ac_dik:Ba-Ge,54.0,A4B23_cP54_223_ac_dik:Ba-Ge +mp-21839,Ba4Ge20Au3,-4.3942253615,-0.3217030333,0.0,-0.0382646306,GGA,Pm-3n,A3B4C20_cP54_223_c_ad_ik:Au-Ba-Ge,54.0,A3B4C20_cP54_223_c_ad_ik:Au-Ba-Ge +mp-569965,Ba6Ge25,-4.3844921747,-0.2848294,0.0230614698,0.0230614698,GGA,P4_132,A6B25_cP124_213_acd_2cd3e:Ba-Ge,124.0,"Invalid WP multiplicities - A6B25_cP124_213_4a6c7d_14c11d53e:Ba-Ge, expected Ba37Ge379 to be Ba6Ge25" +mp-1194759,Ba7Ge39,-4.4038383782,-0.1922968363,0.0497767823,0.0497767823,GGA,Cmc2_1,A7B39_oC184_36_a3b_5a17b:Ba-Ge,92.0,A7B39_oC184_36_a3b_5a17b:Ba-Ge +mp-1103747,BaGe6,-4.4034860493,-0.1667514679,0.060501317,0.060501317,GGA,Cmcm,AB6_oC28_63_c_3f:Ba-Ge,14.0,AB6_oC28_63_c_3f:Ba-Ge +mp-1227958,BaGeAu3,-3.78469072,-0.511960961,0.0,-0.0156533853,GGA,I4mm,A3BC_tI10_107_ab_a_a:Au-Ba-Ge,5.0,A3BC_tI10_107_ab_a_a:Au-Ba-Ge +mp-1228488,Ba2Ge3,-4.001371968,-0.459965279,0.0989854645,0.0989854645,GGA,Imm2,A2B3_oI10_44_c_2ab:Ba-Ge,5.0,A2B3_oI10_44_c_2ab:Ba-Ge +mp-1228646,Ba(GeAu)2,-4.032680682,-0.490121752,0.0,-0.0219659312,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ba-Ge,5.0,A2BC2_tI10_139_d_a_e:Au-Ba-Ge +mp-1095284,BaGe5,-4.3801740775,-0.2078217083,0.0573065406,0.0573065406,GGA,Imma,AB5_oI24_74_e_e2h:Ba-Ge,12.0,AB5_oI24_74_e_e2h:Ba-Ge +mp-13922,Ba2Ge,-3.3124941867,-0.492168275,0.0,-0.0466763369,GGA,Pnma,A2B_oP12_62_2c_c:Ba-Ge,12.0,A2B_oP12_62_2c_c:Ba-Ge +mp-9858,Ba3Ge4,-4.0340094582,-0.5698614239,0.0,-0.0003909911,GGA,Cmmm,A3B4_oC56_65_gjklm_nopq:Ba-Ge,28.0,A3B4_oC56_65_gjklm_nopq:Ba-Ge +mp-21596,Ba3Ge4,-4.0326884854,-0.5685404511000001,0.0013209729,0.0009299818,GGA,P4_2/mnm,A3B4_tP28_136_def_ij:Ba-Ge,28.0,A3B4_tP28_136_def_ij:Ba-Ge +mp-1730,BaGe,-3.86722721,-0.5962258125000001,0.0,-0.0328273709,GGA,Cmcm,AB_oC8_63_c_c:Ba-Ge,4.0,AB_oC8_63_c_c:Ba-Ge +mp-1228656,Ba8Ge43,-4.412946989,-0.2140842972,0.0354481725,0.0354481725,GGA,R32,A8B43_hR153_155_cde_2cd6f:Ba-Ge,51.0,"Invalid WP multiplicities - A8B43_hR153_155_cde_4cd27f:Ba-Ge, expected Ba8Ge173 to be Ba8Ge43" +mp-1199827,Ba8Ge43,-4.4162007883,-0.2173380964,0.0321943732,0.0321943732,GGA,Ia-3d,A8B43_cI408_230_ag_de3h:Ba-Ge,204.0,A8B43_cI408_230_ag_de3h:Ba-Ge +mp-1105500,BaGe3,-4.262117605,-0.3151029788,0.0825893947,0.0825893947,GGA,I4/mmm,AB3_tI32_139_de_im:Ba-Ge,16.0,AB3_tI32_139_de_im:Ba-Ge +mp-1078234,BaGe3,-4.3066890525,-0.3596744263,0.0380179472,0.0380179472,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Ge,8.0,AB3_hP8_194_c_h:Ba-Ge +mp-1198185,BaGe2Au5,-3.7955848094,-0.3537797281,0.0,-0.0215266819,GGA,Pnma,A5BC2_oP32_62_c2d_c_2c:Au-Ba-Ge,32.0,A5BC2_oP32_62_c2d_c_2c:Au-Ba-Ge +mp-21538,Ba5Ge3,-3.4341732134000003,-0.5011784303,0.0170042291,0.0170042291,GGA,P4/ncc,A5B3_tP32_130_cg_cf:Ba-Ge,32.0,A5B3_tP32_130_cg_cf:Ba-Ge +mp-1184099,Er2PdPt,-6.202299195,-1.1056860075,0.0144147131,0.0144147131,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Er-Pd-Pt +mp-582984,Pr6Fe13Pb,-7.1797946292,-0.0543767627,0.0154006959,0.0154006959,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Pb-Pr,40.0,"Invalid WP multiplicities - A13BC6_tI80_140_2d7k11l_a_3f4l:Fe-Pb-Pr, expected Pr22Fe74Pb to be Pr6Fe13Pb" +mp-1095604,ErTc2,-8.6563132242,-0.2266476575,0.0,-0.2266476575,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Tc,12.0,AB2_hP12_194_f_ah:Er-Tc +mp-1185793,Mg3Tc,-3.575670435,0.2146993388,0.2287991923,0.2287991923,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Tc,4.0,A3B_tI8_139_ad_b:Mg-Tc +mp-1185796,Mg3Tc,-3.57367917,0.2166906038,0.2307904573,0.2307904573,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Tc,8.0,A3B_hP8_194_h_c:Mg-Tc +mp-1184126,Er2MgTc,-5.310835505,-0.0367463513,0.0817212978,0.0817212978,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Mg-Tc,4.0,A2BC_cF16_225_c_a_b:Er-Mg-Tc +mp-1185636,Mg149Tc,-1.6773569153,-0.0186744727,0.0,-0.0186744727,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Tc,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Tc, expected Mg315Tc to be Mg149Tc" +mp-29939,Nb9As7Pd,-8.1565413516,-0.5856321748000001,0.0294334182,0.0294334182,GGA,P-6,A7B9C_hP51_174_acf3j3k_4j5k_j:As-Nb-Pd,51.0,"Invalid WP multiplicities - A7B9C_hP51_174_acf3j3k_5j8k_j:As-Nb-Pd, expected Nb13As7Pd to be Nb9As7Pd" +mp-2059,NbAs,-8.0567068425,-0.67649512,0.0,-0.1070433102,GGA,I4_1md,AB_tI8_109_a_a:As-Nb,4.0,AB_tI8_109_a_a:As-Nb +mp-623038,Nb5As3,-8.6258628186,-0.5653777667000001,0.0,-0.0009032305,GGA,Pnma,A3B5_oP64_62_6c_10c:As-Nb,64.0,"Invalid WP multiplicities - A3B5_oP64_62_21c_36c:As-Nb, expected Nb12As7 to be Nb5As3" +mp-7598,NbAs2,-6.9996069933000005,-0.5264263767,0.0,-0.07542963,GGA,C2/m,A2B_mC12_12_2i_i:As-Nb,6.0,A2B_mC12_12_2i_i:As-Nb +mp-1200152,Nb2As,-8.81437717,-0.5271343417000001,0.0,-0.0102930064,GGA,Pmma,AB2_oP54_51_e2i2j_ad3ef2i4j:As-Nb,54.0,AB2_oP54_51_e2i2j_ad3ef2i4j:As-Nb +mp-1191483,Nb7As4,-8.672503023600001,-0.5501749418,0.0047727999,0.0047727999,GGA,C2/m,A4B7_mC44_12_4i_ad6i:As-Nb,22.0,A4B7_mC44_12_4i_ac6i:As-Nb +mp-540660,Nb4As3,-8.3568306204,-0.5878912811,0.0251082085,0.0251082085,GGA,Cmcm,A3B4_oC56_63_2c2f_ac3f:As-Nb,28.0,A3B4_oC56_63_2c2f_ac3f:As-Nb +mp-504425,Nb3As,-9.1605268537,-0.4197684725,0.0,-0.0244177163,GGA,P4_2/n,AB3_tP32_86_g_3g:As-Nb,32.0,AB3_tP32_86_g_3g:As-Nb +mp-7221,Nb5(AsPd)4,-7.4179424508,-0.5054404462000001,0.0649978215,0.0649978215,GGA,I4/m,A4B5C4_tI26_87_h_ah_h:As-Nb-Pd,13.0,"Invalid WP multiplicities - A4B5C4_tI26_87_h_a2h_h:As-Nb-Pd, expected Nb9(AsPd)4 to be Nb5(AsPd)4" +mp-1186217,NbAs3,-5.8510588175,0.1686062462,0.5634260288,0.5634260288,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Nb,4.0,A3B_tI8_139_ad_b:As-Nb +mp-12564,LiSbAu,-3.4897280033,-0.3857926344,0.0398917621,0.0398917621,GGA,F-43m,ABC_cF12_216_a_b_c:Au-Li-Sb,3.0,ABC_cF12_216_a_b_c:Au-Li-Sb +mp-7955,Li3Sb,-3.14085881,-0.67691635,0.002960425,-0.0699935638,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Li-Sb,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:Li-Sb, expected Li5Sb to be Li3Sb" +mp-2074,Li3Sb,-3.143819235,-0.679876775,0.0,-0.0729539888,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Sb,4.0,A3B_cF16_225_ac_b:Li-Sb +mp-1545896,Li2Sb,-3.2861229572,-0.6371739661,0.0,-0.032839055,GGA,P-62m,A2B_hP9_189_fg_ad:Li-Sb,18.0,A2B_hP9_189_fg_ad:Li-Sb +mp-9563,Li2Sb,-3.2790785722,-0.6301295811000001,0.007044385,-0.02579467,GGA,P-62c,A2B_hP18_190_gh_bf:Li-Sb,18.0,A2B_hP18_190_gh_bf:Li-Sb +mp-676024,Li27Sb10,-3.1650767905,-0.6561327419,0.0133568634,0.0133568634,GGA,C2/m,A27B10_mC74_12_ag2h2i4j_i2j:Li-Sb,37.0,"Invalid WP multiplicities - A27B10_mC74_12_a2g4h4i16j_2i5j:Li-Sb, expected Li85Sb24 to be Li27Sb10" +mp-30404,Li2SbAu,-3.39099948,-0.5858172367,0.0,-0.0635497094,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Sb,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Sb +mp-1185416,LiSb3,-3.765514345,-0.1915326983,0.047407539,0.047407539,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Sb,4.0,AB3_cP4_221_a_c:Li-Sb +mp-1096693,LiSbAu2,-2.27715892,0.8692631067000001,1.2209978862,1.2209978862,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Li-Sb,4.0,A2BC_oI8_71_e_a_b:Au-Li-Sb +mp-9351,LuGeAu,-4.9169714417,-0.77768465,0.0,-0.0432612625,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Lu,6.0,ABC_hP6_186_b_b_a:Au-Ge-Lu +mp-1077791,ZrSc2,-7.0928435017,-0.0219638883,0.0,-0.0084405628,GGA,C2/m,A2B_mC12_12_2i_i:Sc-Zr,6.0,A2B_mC12_12_2i_i:Sc-Zr +mp-1215201,ZrSc,-7.442043525,-0.0019586575,0.0233906685,0.0233906685,GGA,P-6m2,AB_hP2_187_a_d:Sc-Zr,2.0,AB_hP2_187_a_d:Sc-Zr +mp-1188062,Zr3Sc,-8.0243202312,-0.0304274825,0.0,-0.0221910244,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Zr,8.0,AB3_hP8_194_c_h:Sc-Zr +mp-1215207,ZrScFe4,-8.4197447767,-0.2930356808,0.0,-0.0157225092,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Sc-Zr,6.0,A4BC_cF24_216_e_a_c:Fe-Sc-Zr +mp-1079744,SmCdPd,-4.2838750111,-0.6767557761,0.0,-0.0258786705,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Pd-Sm,9.0,ABC_hP9_189_f_bc_g:Cd-Pd-Sm +mp-978517,SmCdPd2,-4.677401655,-0.6770917762,0.0064225347,0.0064225347,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Sm,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Sm +mp-1204974,Sm(Cd10Pd)2,-1.6463608296,-0.1882675707,0.0,-0.0299894321,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Pd-Sm,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Pd-Sm +mp-12975,Sm2CdPd2,-4.90901708,-0.76505195,0.0,-0.0163975283,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Pd-Sm,10.0,AB2C2_tP10_127_a_g_h:Cd-Pd-Sm +mp-1208955,Sm4CdPd,-4.578132175,-0.41527949,0.0,-0.0232937358,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pd-Sm,24.0,ABC4_cF96_216_e_e_efg:Cd-Pd-Sm +mp-1096260,Li2InPb,-1.4699203875,1.1006237458,1.3640286313,1.3640286313,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Pb,4.0,AB2C_oI8_71_a_e_b:In-Li-Pb +mp-1210747,Li2InPb,-2.73289305,-0.1623489167,0.1010559688,0.1010559688,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-Li-Pb,4.0,AB2C_cF16_216_a_bc_d:In-Li-Pb +mp-1184985,Li2InPb,-2.83187572,-0.2613315867,0.0020732988,0.0020732988,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Pb,4.0,AB2C_cF16_225_a_c_b:In-Li-Pb +mp-1221985,MgCdAg2,-2.20861321,-0.1615427558,0.0069680925,0.0012229464,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ag-Cd-Mg,4.0,A2BC_tP4_123_h_a_b:Ag-Cd-Mg +mp-30727,MgCdAg2,-2.2155813025,-0.1685108483,0.0,-0.0057451461,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Mg +mp-1222139,Mg4CdAg5,-2.367841873,-0.2191628753,0.0,-0.00133581,GGA,P4/mmm,A5BC4_tP10_123_a2g_d_2h:Ag-Cd-Mg,10.0,"Invalid WP multiplicities - A5BC4_tP10_123_a3g_d_3h:Ag-Cd-Mg, expected Mg6CdAg7 to be Mg4CdAg5" +mp-1096651,Mg2CdAg,-0.8207112999999999,0.9182901658,1.0931078025,1.0931078025,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cd-Mg,4.0,ABC2_oI8_71_a_b_e:Ag-Cd-Mg +mp-1185662,Mg2CdAg,-1.903129425,-0.1641279592,0.0106896775,0.0106896775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Mg +mp-1183912,Ce3Eu,-6.806129355,0.2079379612,0.2079379612,0.2079379612,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Eu,4.0,A3B_tI8_139_ad_b:Ce-Eu +mp-1184049,CeEu3,-9.0271935575,0.1488300812,0.1488300812,0.1488300812,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Eu,8.0,AB3_hP8_194_c_h:Ce-Eu +mp-1183873,CeEuZn2,-4.8857256325,-0.2083310888,0.0392338556,0.0392338556,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Eu-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Eu-Zn +mp-1097076,HfTiRu2,-6.0309357375,3.0694357942,3.865451555,3.865451555,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ru-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Ru-Ti +mp-1224169,HfTiRu2,-9.8638402375,-0.7634687058,0.032547055,0.032547055,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Hf-Ru-Ti,4.0,AB2C_tP4_123_a_h_b:Hf-Ru-Ti +mp-1189249,HfSiOs,-9.7277101689,-0.8577520056,0.0,-0.2150543849,GGA,Ima2,ABC_oI36_46_3b_ac_bc:Hf-Os-Si,18.0,ABC_oI36_46_3b_ac_bc:Hf-Os-Si +mp-1079323,HfSiOs,-9.71518149,-0.8452233267,0.0125286789,-0.202525706,GGA,P-62m,ABC_hP9_189_f_g_ad:Hf-Os-Si,9.0,ABC_hP9_189_f_g_ad:Hf-Os-Si +mp-973890,HoHfRu2,-8.8556914975,-0.5835907525,0.0096577857,0.0096577857,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Ho-Ru,4.0,ABC2_cF16_225_a_b_c:Hf-Ho-Ru +mp-1224702,Fe2PtRh,-7.6534227575,-0.059551855,0.0783709975,0.0783709975,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Fe-Pt-Rh,4.0,A2BC_tP4_123_h_a_b:Fe-Pt-Rh +mp-1214226,BeNb4,-7.797219145,1.03170746,1.099145424,1.099145424,GGA,Fd-3m,AB4_cF40_227_a_e:Be-Nb,10.0,AB4_cF40_227_a_e:Be-Nb +mp-30441,Be17Nb2,-4.6068853647,-0.1977996392,0.0,-0.0350817366,GGA,R-3m,A17B2_hR57_166_cdfh_c:Be-Nb,19.0,A17B2_hR57_166_cdfh_c:Be-Nb +mp-2028,Be2Nb,-6.0500248233,-0.1899812333,0.0217831695,0.0217831695,GGA,Fd-3m,A2B_cF24_227_c_b:Be-Nb,6.0,A2B_cF24_227_c_b:Be-Nb +mp-11272,Be2Nb3,-7.691424098,-0.134875928,0.0,-0.0091201673,GGA,P4/mbm,A2B3_tP10_127_g_ah:Be-Nb,10.0,A2B3_tP10_127_g_ah:Be-Nb +mp-568912,Be12Nb,-4.3771988638,-0.1484096777,0.0,-0.0038637875,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Nb,13.0,"Invalid WP multiplicities - A12B_tI26_139_2f2i4j_a:Be-Nb, expected Be32Nb to be Be12Nb" +mp-867828,BeNbRu2,-8.37327048,-0.2758897338,0.0,-0.0512896775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Be-Nb-Ru +mp-11273,Be3Nb,-5.56567796,-0.2357920512,0.0,-0.0429540927,GGA,R-3m,A3B_hR36_166_ach_bc:Be-Nb,12.0,A3B_hR36_166_ach_bc:Be-Nb +mp-1097378,HfScHg2,-1.9923664175,2.2318882987,2.4954055266,2.4954055266,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Hg-Sc,4.0,AB2C_oI8_71_a_e_b:Hf-Hg-Sc +mp-1027868,HfMg14Zr,-2.5059152894,0.0508853581,0.0696694592,0.0696694592,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Zr, expected HfMg18Zr to be HfMg14Zr" +mp-1027867,HfMg14Zr,-2.468414895,0.0883857525,0.1071698536,0.1071698536,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Zr, expected HfMg26Zr to be HfMg14Zr" +mp-1022326,HfMg6Zr,-3.40604464,0.107276605,0.1233772631,0.1233772631,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Zr, expected HfMg12Zr to be HfMg6Zr" +mp-1022384,HfMg6Zr,-3.37560769,0.137713555,0.1538142131,0.1538142131,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Zr, expected HfMg12Zr to be HfMg6Zr" +mp-1186724,Pr3Nd,-4.7642421425,0.0134740319,0.01445878,0.01445878,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Pr,4.0,AB3_tI8_139_a_bd:Nd-Pr +mp-1186832,PrNdIn2,-4.24397735,-0.4808721881,0.0074070225,0.0074070225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Nd-Pr,4.0,A2BC_cF16_225_c_a_b:In-Nd-Pr +mp-975887,PrNd3,-4.7576665825,0.0136704306,0.0146551787,0.0146551787,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Pr,4.0,A3B_tI8_139_ad_b:Nd-Pr +mp-1186753,PrNd,-4.745713385,0.0288132087,0.030782705,0.0288132087,GGA,P-6m2,AB_hP2_187_a_d:Nd-Pr,2.0,AB_hP2_187_a_d:Nd-Pr +mp-1219716,PrNd,-4.77649609,-0.0019694963,0.0,-0.0019694963,GGA,P6_3/mmc,AB_hP4_194_c_a:Nd-Pr,4.0,AB_hP4_194_c_a:Nd-Pr +mp-1184031,Ga3Sn,-3.23833843,0.0351265506,0.0351265506,0.0351265506,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Sn,4.0,A3B_tI8_139_ad_b:Ga-Sn +mp-1183978,Ga3Sn,-3.2284063975,0.0450585831,0.0450585831,0.0450585831,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Sn,4.0,A3B_cP4_221_c_a:Ga-Sn +mp-1183986,Ga3Sn,-3.2287787675,0.0446862131,0.0446862131,0.0446862131,GGA,Fm-3m,A3B_cF16_225_ac_b:Ga-Sn,4.0,A3B_cF16_225_ac_b:Ga-Sn +mp-1184266,GaSn3,-3.713053205,0.0511496919,0.0511496919,0.0511496919,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Sn,4.0,AB3_tI8_139_a_bd:Ga-Sn +mp-1184285,GaSn3,-3.7005779825,0.0636249144,0.0636249144,0.0636249144,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Sn,8.0,AB3_hP8_194_c_h:Ga-Sn +mp-1184236,GaSn3,-3.6852841275,0.0789187694,0.0789187694,0.0789187694,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Sn,4.0,AB3_cF16_225_a_bc:Ga-Sn +mp-1189978,Hf5GaSn3,-7.6807082756,-0.4759575269,0.0,-0.0569159767,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Ga-Hf-Sn,18.0,AB5C3_hP18_193_b_dg_g:Ga-Hf-Sn +mp-1062620,Sr2Ir,-4.1679793767,-0.0955056811,0.0432163525,0.0432163525,GGA,Fm-3m,AB2_cF12_225_a_c:Ir-Sr,3.0,AB2_cF12_225_a_c:Ir-Sr +mp-1095369,Sr3(GaIr)4,-5.3343882736,-0.55851544,0.0,-0.1602825444,GGA,I-43m,A4B4C3_cI22_217_c_c_b:Ga-Ir-Sr,11.0,A4B4C3_cI22_217_c_c_b:Ga-Ir-Sr +mp-318,SrIr2,-6.732898005,-0.2774440672,0.0,-0.2296912267,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Sr,6.0,A2B_cF24_227_c_b:Ir-Sr +mp-1208741,Sr4Ir,-2.973562429,0.1457191697,0.2289523898,0.2289523898,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Sr,10.0,AB4_cF40_227_a_e:Ir-Sr +mp-1183921,EuEr,-7.311286195,0.10107411,0.10107411,0.10107411,GGA,P-6m2,AB_hP2_187_a_d:Er-Eu,2.0,AB_hP2_187_a_d:Er-Eu +mp-1193984,Eu(ErSe2)2,-6.9666685432,-2.1986563531,0.0,-0.0062975943,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Eu-Se,28.0,A2BC4_oP28_62_2c_c_4c:Er-Eu-Se +mp-1184396,Eu3Er,-8.75280259,0.0818784625,0.0818784625,0.0818784625,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Eu,8.0,AB3_hP8_194_c_h:Er-Eu +mp-1077779,ErSe2,-5.68100253,-1.8278219416,0.0083407317,-0.02966048,GGA,Immm,AB2_oI12_71_e_fg:Er-Se,6.0,AB2_oI12_71_e_fg:Er-Se +mp-9978,ErSe2,-5.6893432617,-1.8361626732,0.0,-0.0380012116,GGA,P4/nmm,AB2_tP6_129_c_ac:Er-Se,6.0,AB2_tP6_129_c_ac:Er-Se +mp-209,Er2Se3,-6.0824281645,-2.1577937539,0.0,-0.2868164875,GGA,Fddd,A2B3_oF80_70_2e_fh:Er-Se,20.0,A2B3_oF80_70_2e_fh:Er-Se +mp-1225508,Er2Se3,-6.020717204,-2.0960827934,0.0617109605,-0.225105527,GGA,P-4m2,A2B3_tP5_115_g_ag:Er-Se,5.0,A2B3_tP5_115_g_ag:Er-Se +mp-32736,Er2Se3,-6.0068165263,-2.0821821157,0.0756116382,-0.2112048493,GGA,I-42d,A2B3_tI80_122_cde_3e:Er-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d6e_16e:Er-Se, expected Er5Se8 to be Er2Se3" +mp-2491,ErSe,-5.9550143,-1.9231991562,0.0,-0.1250376946,GGA,Fm-3m,AB_cF8_225_a_b:Er-Se,2.0,AB_cF8_225_a_b:Er-Se +mp-1218342,SrCdSn,-2.7016643867,-0.4943460306,0.0,-0.0304700352,GGA,C2/m,ABC_mC12_12_i_i_i:Cd-Sn-Sr,6.0,ABC_mC12_12_i_i_i:Cd-Sn-Sr +mp-867149,Sr2CdSn,-2.6159726775000003,-0.5381105471000001,0.0,-0.0070130497,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Sn-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-Sn-Sr +mp-1184839,HoInRh2,-6.2839961975,-0.7683191125000001,0.0,-0.100509159,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-In-Rh,4.0,ABC2_cF16_225_a_b_c:Ho-In-Rh +mp-1225241,Ho20In40Rh19,-4.9199967233,-0.5954729748,0.0,-0.0045840131,GGA,P-4m2,A20B40C19_tP79_115_2gjkl_2h2i2j2kl_abcjkl:Ho-In-Rh,79.0,"Invalid WP multiplicities - A20B40C19_tP79_115_2g2jkl_2h2i4j2kl_abc2jkl:Ho-In-Rh, expected Ho24In48Rh23 to be Ho20In40Rh19" +mp-570015,Ho4InRh,-5.3003206737,-0.5593828271,0.0,-0.0403013962,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ho-In-Rh,24.0,"Invalid WP multiplicities - A4BC_cF96_216_3e4f5g_e_e:Ho-In-Rh, expected Ho33(InRh)2 to be Ho4InRh" +mp-12940,HoIn5Rh,-4.0647351314,-0.3925729329,0.0,-0.0159560684,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Ho-In-Rh,7.0,AB5C_tP7_123_a_ci_b:Ho-In-Rh +mp-11104,HoInRh,-5.6522972378,-0.7528304144,0.0,-0.047784944,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-In-Rh,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ho-In-Rh, expected Ho3In3Rh5 to be HoInRh" +mp-865660,Yb2AgPt,-3.78542631,-0.7896998392,0.0,-0.0110417382,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pt-Yb,,ABC2_cF16_225_a_b_c:Ag-Pt-Yb +mp-1184125,Er2CoIr,-6.85134119,-0.5807937913,0.0610113564,0.0610113564,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Er-Ir,4.0,AB2C_cF16_225_a_c_b:Co-Er-Ir +mp-865173,CaAcHg2,-2.2386584675,-0.5551245631,0.0,-0.1402871883,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Hg,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Hg +mp-1183592,CaYbPd2,-4.2365241125,-0.7602811675000001,0.00745315,0.00745315,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Yb,,AB2C_cF16_225_a_c_b:Ca-Pd-Yb +mp-569511,NiTePd,-4.95957407,-0.2584659422,0.1257625033,0.1257625033,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Pd-Te,12.0,ABC_oP12_62_c_c_c:Ni-Pd-Te +mp-12463,Ni(TePd)2,-4.804426573,-0.3191241557,0.141949979,0.141949979,GGA,Ibam,AB2C2_oI20_72_a_j_j:Ni-Pd-Te,10.0,AB2C2_oI20_72_a_j_j:Ni-Pd-Te +mp-974662,Rb3Pr,-1.3504105925,0.5802164006,0.5802164006,0.5802164006,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-Rb,8.0,AB3_hP8_194_c_h:Pr-Rb +mp-974828,Rb3Pr,-1.3227316575,0.6078953356,0.6078953356,0.6078953356,GGA,Fm-3m,AB3_cF16_225_a_bc:Pr-Rb,4.0,AB3_cF16_225_a_bc:Pr-Rb +mp-7199,RbPrTe4,-4.2993890533,-1.2436118199,0.0,-0.0101647853,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Pr-Rb-Te,12.0,ABC4_tP12_125_a_b_m:Pr-Rb-Te +mp-8360,RbTe,-3.0860194287,-1.0240994458,0.0242174804,0.0017111834,GGA,Pbam,AB_oP8_55_g_h:Rb-Te,8.0,AB_oP8_55_g_h:Rb-Te +mp-9064,RbTe,-3.1102369092,-1.0483169263,0.0,-0.022506297,GGA,P-62m,AB_hP12_189_fg_eh:Rb-Te,12.0,AB_hP12_189_fg_eh:Rb-Te +mp-1009491,RbTe,-2.51026811,-0.4483481271,0.5999687992,0.5774625022000001,GGA,F-43m,AB_cF8_216_a_c:Rb-Te,2.0,AB_cF8_216_a_c:Rb-Te +mp-1009489,RbTe,-2.66545686,-0.6035368771,0.4447800492,0.4222737522,GGA,Fm-3m,AB_cF8_225_a_b:Rb-Te,2.0,AB_cF8_225_a_b:Rb-Te +mp-32581,Pr2Te3,-5.5100465332,-1.7117006952,0.0,-0.0654928808,GGA,I-42d,A2B3_tI80_122_cde_3e:Pr-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d4e_16e:Pr-Te, expected Pr15Te32 to be Pr2Te3" +mp-975652,PrTe2,-5.2415982883,-1.5524257744,0.0,-0.0121422376,GGA,P4/nmm,AB2_tP6_129_c_ac:Pr-Te,6.0,AB2_tP6_129_c_ac:Pr-Te +mp-28878,RbTe6,-3.4579483886,-0.6236098982,0.0,-0.2030815712,GGA,C2/c,AB6_mC28_15_e_3f:Rb-Te,14.0,"Invalid WP multiplicities - AB6_mC28_15_e_4f:Rb-Te, expected RbTe8 to be RbTe6" +mp-31002,Rb2Te5,-3.3664277414,-0.8410566540000001,0.0,-0.0313229101,GGA,C2/m,A2B5_mC14_12_i_aj:Rb-Te,7.0,A2B5_mC14_12_i_aj:Rb-Te +mp-2127,Pr3Te4,-5.5315345229,-1.6864001174,0.007293308,0.007293308,GGA,I-43d,A3B4_cI28_220_a_c:Pr-Te,14.0,A3B4_cI28_220_a_c:Pr-Te +mp-1397,Rb2Te,-2.8200321458,-1.1185741331,0.0191995108,-0.4196961822,GGA,Pnma,A2B_oP12_62_2c_c:Rb-Te,12.0,A2B_oP12_62_2c_c:Rb-Te +mp-568745,Rb2Te,-2.7828077650000003,-1.0813497522,0.0564238917,-0.3824718014,GGA,Pnma,A2B_oP12_62_2c_c:Rb-Te,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Rb-Te, expected Rb5Te to be Rb2Te" +mp-383,Rb2Te,-2.782287005,-1.0808289922,0.0569446517,-0.3819510414,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Rb-Te,6.0,A2B_hP6_194_ac_d:Rb-Te +mp-441,Rb2Te,-2.8392316567,-1.1377736439,0.0,-0.4388956931,GGA,Fm-3m,A2B_cF12_225_c_a:Rb-Te,3.0,A2B_cF12_225_c_a:Rb-Te +mp-12351,PrTe3,-4.8787179475,-1.3260120887,0.0,-0.1103826546,GGA,Cmcm,AB3_oC16_63_c_3c:Pr-Te,8.0,AB3_oC16_63_c_3c:Pr-Te +mp-975253,RbPr3,-3.3285540675,0.5022587669,0.5022587669,0.5022587669,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Rb,4.0,A3B_tI8_139_ad_b:Pr-Rb +mp-2095,Rb2Te3,-3.2368299855,-0.9586328205,0.0,-0.0070373546,GGA,Pnma,A2B3_oP20_62_d_3c:Rb-Te,20.0,A2B3_oP20_62_d_3c:Rb-Te +mp-1104180,Pr2Te5,-5.00048235,-1.3892907819,0.0337557436,0.0337557436,GGA,Cmcm,A2B5_oC28_63_2c_5c:Pr-Te,14.0,A2B5_oC28_63_2c_5c:Pr-Te +mp-7131,PrTe,-5.518653535,-1.5565477108,0.09212754,-0.0809476081,GGA,Pm-3m,AB_cP2_221_a_b:Pr-Te,2.0,AB_cP2_221_a_b:Pr-Te +mp-2532,PrTe,-5.610781075,-1.6486752508,0.0,-0.1730751481,GGA,Fm-3m,AB_cF8_225_a_b:Pr-Te,2.0,AB_cF8_225_a_b:Pr-Te +mp-1209093,Sm4Mg,-3.483893536,0.6110313820000001,0.650877425,0.650877425,GGA,Fd-3m,AB4_cF40_227_a_e:Mg-Sm,10.0,AB4_cF40_227_a_e:Mg-Sm +mp-1185603,LaSmMg2,-3.310098125,-0.09630979,0.0085989,0.0085989,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:La-Mg-Sm +mp-1187791,SmMg149,-1.6459493229,-0.0248805656,0.0,-0.022071232,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Sm,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Sm, expected SmMg315 to be SmMg149" +mp-1187021,SmMg5,-2.1321049117,-0.0121071808,0.0656848011,0.0656848011,GGA,C2/m,A5B_mC12_12_a2i_c:Mg-Sm,6.0,"Invalid WP multiplicities - A5B_mC12_12_a4i_d:Mg-Sm, expected SmMg9 to be SmMg5" +mp-972494,SmMg3,-2.4679870912,-0.08813052,0.0172194913,-0.0161476037,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Sm,8.0,A3B_hP8_194_h_c:Mg-Sm +mp-30779,SmMg3,-2.4852065825,-0.1053500113,0.0,-0.0333670949,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Sm,4.0,A3B_cF16_225_ac_b:Mg-Sm +mp-978849,Sm3Mg,-3.9290625175,0.0099470963,0.05975465,0.05975465,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Sm,4.0,AB3_tI8_139_a_bd:Mg-Sm +mp-529,SmMg2,-2.72732407,-0.0876086583,0.0158297183,0.0158297183,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Sm,6.0,A2B_cF24_227_c_b:Mg-Sm +mp-1201293,Sm5Mg41,-1.9847134565,-0.0454870929,0.013134086,0.013134086,GGA,I4/m,A41B5_tI92_87_af3h3i_bh:Mg-Sm,46.0,A41B5_tI92_87_af3h3i_bh:Mg-Sm +mp-2558,SmMg,-3.2590482,-0.0996151075,0.0,-0.0237339,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Sm,2.0,AB_cP2_221_a_b:Mg-Sm +mp-981747,Sm5Mg,-4.1589065883,0.0399618658,0.0731669017,0.0731669017,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Sm,6.0,AB5_oC12_38_a_2a3b:Mg-Sm +mp-979459,Sm5Mg,-4.1869094317,0.0119590225,0.0451640583,0.0451640583,GGA,R32,AB5_hR18_155_a_ce:Mg-Sm,6.0,AB5_hR18_155_a_ce:Mg-Sm +mp-1187012,Sm2Mg,-3.7185598467,-0.0394090733,0.0270009983,0.0270009983,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sm,6.0,AB2_mC12_12_i_2i:Mg-Sm +mp-972454,Sm2Mg,-3.7353861117,-0.0562353383,0.0101747333,0.0101747333,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sm,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_4c:Mg-Sm, expected Sm4Mg to be Sm2Mg" +mp-979028,Sm2Mg,-3.7285155067,-0.0493647333,0.0170453383,0.0170453383,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Sm,3.0,AB2_tI6_139_a_e:Mg-Sm +mp-867276,DyCdPd2,-4.70896606,-0.7366060050000001,0.0,-0.0212381894,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Dy-Pd,4.0,ABC2_cF16_225_a_b_c:Cd-Dy-Pd +mp-12977,Dy2CdPd2,-4.907203214,-0.807957802,0.0,-0.0570663565,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Dy-Pd,10.0,AB2C2_tP10_127_a_h_g:Cd-Dy-Pd +mp-1212939,Dy4CdPd,-4.5370394321,-0.4487196104,0.0,-0.0372512279,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Dy-Pd,24.0,AB4C_cF96_216_e_efg_e:Cd-Dy-Pd +mp-1025346,GaAsPd5,-5.2929176414,-0.4948285732,0.0,-0.0098113814,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-Ga-Pd,7.0,ABC5_tP7_123_b_c_ai:As-Ga-Pd +mp-1183979,GaAs3,-3.9215662525,0.3297965569,0.5060553750000001,0.5060553750000001,GGA,Fm-3m,A3B_cF16_225_ac_b:As-Ga,4.0,A3B_cF16_225_ac_b:As-Ga +mp-1244899,GaAs,-3.7856236998,0.0579835139,0.4105011502,0.057983514,GGA,P1,AB_aP100_1_50a_50a:As-Ga,100.0,AB_aP100_1_50a_50a:As-Ga +mp-1244999,GaAs,-3.7358309221,0.1077762917,0.4602939279,0.1077762917,GGA,P1,AB_aP100_1_50a_50a:As-Ga,100.0,AB_aP100_1_50a_50a:As-Ga +mp-1245074,GaAs,-3.7836052158,0.060001998,0.4125196342,0.060001998,GGA,P1,AB_aP100_1_50a_50a:As-Ga,100.0,AB_aP100_1_50a_50a:As-Ga +mp-1245274,GaAs,-3.7680605064,0.0755467074,0.4280643436,0.0755467074,GGA,P1,AB_aP100_1_50a_50a:As-Ga,100.0,AB_aP100_1_50a_50a:As-Ga +mp-1245314,GaAs,-3.786283675,0.0573235388,0.409841175,0.0573235387,GGA,P1,AB_aP100_1_50a_50a:As-Ga,100.0,AB_aP100_1_50a_50a:As-Ga +mp-1232355,GaAs,-3.5682304144,0.2753767994,0.6278944356,0.2753767994,GGA,Cm,AB_mC32_8_4a2b_4a2b:As-Ga,16.0,AB_mC32_8_4a4b_4a4b:As-Ga +mp-1059094,GaAs,-3.75160333,0.0920038838,0.44452152,0.0920038838,GGA,Pmm2,AB_oP2_25_a_b:As-Ga,2.0,AB_oP2_25_a_b:As-Ga +mp-603640,GaAs,-3.84801209,-0.0044048762,0.34811276,-0.0044048762,GGA,Imm2,AB_oI4_44_a_b:As-Ga,2.0,AB_oI4_44_a_b:As-Ga +mp-2362466,GaAs,-3.843425975,0.0001812388,0.352698875,0.0001812388,GGA,I-4m2,AB_tI4_119_a_c:As-Ga,2.0,AB_tI4_119_a_c:As-Ga +mp-10048,GaAs,-3.772626455,0.0709807588,0.423498395,0.0709807588,GGA,P4/mmm,AB_tP2_123_a_b:As-Ga,2.0,AB_tP2_123_a_b:As-Ga +mp-8883,GaAs,-4.1813247275,-0.3377175137,0.0148001225,-0.3377175137,GGA,P6_3mc,AB_hP4_186_b_b:As-Ga,4.0,AB_hP4_186_b_b:As-Ga +mp-15619,GaAs,-4.0521012875,-0.2084940737,0.1440235625,-0.2084940737,GGA,Pa-3,AB_cP16_205_c_c:As-Ga,16.0,AB_cP16_205_c_c:As-Ga +mp-2534,GaAs,-4.19612485,-0.3525176362,0.0,-0.3525176362,GGA,F-43m,AB_cF8_216_a_c:As-Ga,2.0,AB_cF8_216_a_c:As-Ga +mp-1184232,Ga3As,-3.3715922,0.0642594181,0.2405182363,0.2405182363,GGA,Pm-3m,AB3_cP4_221_a_c:As-Ga,4.0,AB3_cP4_221_a_c:As-Ga +mp-1071889,ThGeSe,-6.625443075,-1.4478438808,0.0,-0.1040792968,GGA,I4/mmm,ABC_tI12_139_c_e_e:Ge-Se-Th,6.0,ABC_tI12_139_c_e_e:Ge-Se-Th +mp-1105163,CuSnPd2,-4.959378635,-0.3422430988,0.0632625112,0.0632625112,GGA,Pmmm,AB2C_oP16_47_afj_belnp_y:Cu-Pd-Sn,16.0,AB2C_oP16_47_afj_belnp_y:Cu-Pd-Sn +mp-1213339,CuSnPd2,-4.969962386,-0.3528268498,0.0526787602,0.0526787602,GGA,Pmmm,AB2C_oP48_47_ghjlny_j2kpy3z_abimoy:Cu-Pd-Sn,48.0,AB2C_oP48_47_ghjlny_j2kpy3z_abimoy:Cu-Pd-Sn +mp-1213329,CuSnPd2,-3.9839539731,0.6331815631000001,1.0386871731,1.0386871731,GGA,Pmma,AB2C_oP16_51_ef_efj_ac:Cu-Pd-Sn,16.0,AB2C_oP16_51_ef_efj_ac:Cu-Pd-Sn +mp-1096758,CuSnPd2,-2.97498138,1.6421541563000002,2.0476597662,2.0476597662,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Pd-Sn,4.0,AB2C_oI8_71_a_e_b:Cu-Pd-Sn +mp-1207090,CuSnPd2,-4.985402185,-0.3682666487,0.0372389612,0.0372389612,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Cu-Pd-Sn,4.0,AB2C_tP4_123_a_e_c:Cu-Pd-Sn +mp-1207127,CuSnPd2,-4.9565028625,-0.3393673262,0.0661382837,0.0661382837,GGA,P4/mmm,AB2C_tP8_123_e_fg_h:Cu-Pd-Sn,8.0,AB2C_tP8_123_e_fg_h:Cu-Pd-Sn +mp-1213092,CuSnPd2,-4.9672898981,-0.3501543619,0.0553512481,0.0553512481,GGA,P4/mmm,AB2C_tP16_123_l_kn_bde:Cu-Pd-Sn,16.0,AB2C_tP16_123_l_kn_bde:Cu-Pd-Sn +mp-1184057,CuSnPd2,-5.016457775,-0.3993222387,0.0061833712,0.0061833712,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Cu-Pd-Sn +mp-1225845,Cu2Sn2Pd,-4.379004162,-0.09951639,0.1337253378,0.1337253378,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cu-Pd-Sn,5.0,A2BC2_hP5_164_d_a_d:Cu-Pd-Sn +mp-1184302,ErTm3,-4.4922563,0.00654997,0.00654997,0.00654997,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Tm,8.0,AB3_hP8_194_c_h:Er-Tm +mp-1184192,Er3Tm,-4.5372172488,0.0075307146,0.0075307146,0.0075307146,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Tm,8.0,A3B_hP8_194_h_c:Er-Tm +mp-1184240,ErTmMg2,-3.1215296975,-0.0605011142,0.0021434175,0.0021434175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Tm +mp-1199159,Nd6Al43Mo4,-4.7107162182,-0.3135229026,0.0149710725,0.0149710725,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Nd,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-Nd +mp-1096576,Al2CuTc,-3.19347886,2.2942704587,2.618298932,2.618298932,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Tc,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Tc +mp-1096670,ScAl2Os,-3.4156298175,2.8471172313,3.4317668495,3.4317668495,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Sc,4.0,A2BC_oI8_71_e_a_b:Al-Os-Sc +mp-1262353,ScAl2Os,-3.3306252025,2.9321218463000003,3.5167714645,3.5167714645,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Sc,4.0,A2BC_oI8_71_e_a_b:Al-Os-Sc +mp-1194206,Sc6Al16Os7,-6.6928822003,-0.6061373755,0.0,-0.0819613052,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Os-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Os-Sc +mp-862486,Sc2AlOs,-7.3898689725,-0.480398605,0.0,-0.0059218275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Os-Sc +mp-973203,Sb3Mo,-5.36050939,0.4476540675,0.5709967083,0.5709967083,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-Sb,4.0,AB3_cF16_225_a_bc:Mo-Sb +mp-1521,Sb7Mo3,-6.29200707,-0.148011169,0.0,-0.148011169,GGA,Im-3m,A3B7_cI40_229_e_df:Mo-Sb,20.0,A3B7_cI40_229_e_df:Mo-Sb +mp-1216683,TiSb4Mo,-6.20482824,-0.3286370589,0.0013413215,0.0013413215,GGA,Cm,AB4C_mC12_8_a_4a_a:Mo-Sb-Ti,,AB4C_mC12_8_a_4a_a:Mo-Sb-Ti +mp-1093753,MgCdHg2,-0.2100682325,0.5725644025000001,0.6802240687000001,0.6802240687000001,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Hg-Mg,4.0,AB2C_oI8_71_a_e_b:Cd-Hg-Mg +mp-1095748,Mg2CdHg,-0.22457212,0.8822104362000001,1.0521552347,1.0521552347,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Mg +mp-1185755,Mg2CdHg,-1.2560297275,-0.1492471713,0.0206976272,0.0206976272,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Mg,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Mg +mp-1093784,MgAlAu2,-2.1626717575,0.8107332125000001,1.312044715,1.312044715,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Au-Mg,4.0,AB2C_oI8_71_a_e_b:Al-Au-Mg +mp-1185826,MgAlAu2,-3.4593401925,-0.4859352225,0.01537628,0.01537628,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Au-Mg +mp-1185648,Mg16Al12Au,-2.6072176093,-0.0615185486,0.0179135792,0.0179135792,GGA,P1,A12BC16_aP29_1_12a_a_16a:Al-Au-Mg,29.0,A12BC16_aP29_1_12a_a_16a:Al-Au-Mg +mp-1185645,Mg16Al12Au,-2.5956260914,-0.0499270307,0.0295050971,0.0295050971,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Au-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a9b5c:Al-Au-Mg, expected Mg58Al39Au to be Mg16Al12Au" +mp-1185738,Mg17Al11Au,-2.5399014583,-0.0681781141,0.0119458765,0.0119458765,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-Au-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-Au-Mg, expected Mg27Al19Au to be Mg17Al11Au" +mp-866187,Ti2ZnTc,-7.199181965,-0.3463403179,0.0,-0.001591355,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tc-Ti-Zn,4.0,AB2C_cF16_225_a_c_b:Tc-Ti-Zn +mp-568752,Ca3SiBr2,-3.69800778,-1.2733120583,0.1730849888,0.1730849888,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Br-Ca-Si,6.0,A2B3C_mC12_8_2a_3a_a:Br-Ca-Si +mp-568791,Ca3SiBr2,-3.695233335,-1.2705376133,0.1758594338,0.1758594338,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Br-Ca-Si,6.0,A2B3C_mC12_8_2a_3a_a:Br-Ca-Si +mp-568050,Ca3SiBr2,-3.846264105,-1.4215683833,0.0248286638,0.0248286638,GGA,Immm,A2B3C_oI12_71_e_cf_a:Br-Ca-Si,6.0,"Invalid WP multiplicities - A2B3C_oI12_71_e_c2f_a:Br-Ca-Si, expected Ca5SiBr2 to be Ca3SiBr2" +mp-29881,Ca3SiBr2,-3.7381697717,-1.31347405,0.1329229971,0.1329229971,GGA,I4/mmm,A2B3C_tI12_139_e_ae_b:Br-Ca-Si,6.0,A2B3C_tI12_139_e_ae_b:Br-Ca-Si +mp-570142,Ca3SiBr2,-3.5978408417,-1.17314512,0.2732519271,0.2732519271,GGA,R3m,A2B3C_hR18_160_2a_3a_a:Br-Ca-Si,6.0,A2B3C_hR18_160_2a_3a_a:Br-Ca-Si +mp-570182,Ca3SiBr2,-3.66187648,-1.2371807583,0.2092162888,0.2092162888,GGA,R3m,A2B3C_hR18_160_2a_3a_a:Br-Ca-Si,6.0,A2B3C_hR18_160_2a_3a_a:Br-Ca-Si +mp-569912,Ca3SiBr2,-3.6916781983,-1.2669824767,0.1794145704,0.1794145704,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Br-Ca-Si,6.0,A2B3C_hP6_164_d_ad_b:Br-Ca-Si +mp-570032,Ca3SiBr2,-3.6799819367,-1.255286215,0.1911108321,0.1911108321,GGA,R-3m,A2B3C_hR18_166_c_ac_b:Br-Ca-Si,6.0,"Invalid WP multiplicities - A2B3C_hR18_166_c_a2c_b:Br-Ca-Si, expected Ca5SiBr2 to be Ca3SiBr2" +mp-567974,Ca3SiBr2,-3.61931959,-1.1946238683,0.2517731788,0.2517731788,GGA,P-6m2,A2B3C_hP6_187_i_ag_d:Br-Ca-Si,6.0,A2B3C_hP6_187_i_ag_d:Br-Ca-Si +mp-504902,SiBr2,-3.9113416057,-1.0675500423,0.0391905829,0.0391905829,GGA,P2_1/c,A2B_mP60_14_10e_5e:Br-Si,60.0,"Invalid WP multiplicities - A2B_mP60_14_37e_16e:Br-Si, expected Si16Br37 to be SiBr2" +mp-1195825,SiBr2,-3.9165965781,-1.0728050147,0.0339356105,0.0339356105,GGA,C2/c,A2B_mC72_15_6f_3f:Br-Si,36.0,A2B_mC72_15_6f_3f:Br-Si +mp-1078181,SiBr3,-3.762081175,-1.24098042,0.0041027834,0.0041027834,GGA,C2/m,A3B_mC16_12_ij_i:Br-Si,8.0,A3B_mC16_12_ij_i:Br-Si +mp-574086,SiBr4,-3.655476864,-1.327990594,9.81563e-05,-0.335206258,GGA,P2_1/c,A4B_mP20_14_4e_e:Br-Si,20.0,"Invalid WP multiplicities - A4B_mP20_14_15e_e:Br-Si, expected SiBr15 to be SiBr4" +mp-570285,SiBr4,-3.6555750203,-1.3280887503,0.0,-0.3353044143,GGA,Pa-3,A4B_cP40_205_cd_c:Br-Si,40.0,"Invalid WP multiplicities - A4B_cP40_205_5c5d_c:Br-Si, expected SiBr20 to be SiBr4" +mp-4022,Zr2CoSi2,-7.877681636,-0.8668106130000001,0.0,-0.006525878,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Si-Zr,10.0,AB2C2_mC20_12_i_2i_2i:Co-Si-Zr +mp-1188741,Zr3Co2Si3,-7.8644794488,-0.8475180025,0.0071521069,0.0071521069,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Si-Zr,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Si-Zr +mp-1215253,ZrCo4Si,-7.264029165,-0.1963141917,0.2786829727,0.2786829727,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Si-Zr,6.0,A4BC_cF24_216_e_a_c:Co-Si-Zr +mp-672680,Zr6Co16Si7,-7.6503422355,-0.6504624179,0.0,-0.0793202861,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Si-Zr,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Si-Zr, expected Zr6Co80Si13 to be Zr6Co16Si7" +mp-1215304,ZrCoSi,-7.6082030917,-0.5810909400000001,0.2533449967,0.2054021558,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Si-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Si-Zr, expected Zr3(CoSi)2 to be ZrCoSi" +mp-1102565,ZrCoSi,-7.8615480883,-0.8344359367,0.0,-0.0479428409,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Zr,12.0,ABC_oP12_62_c_c_c:Co-Si-Zr +mp-1194045,Zr4Co4Si7,-7.4927434063,-0.7859900790000001,0.0,-0.0114672697,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Zr,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Zr +mp-1198615,ZrCo5Si3,-7.3108293913,-0.6035800919000001,0.0,-0.01000704,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Co-Si-Zr,54.0,A5B3C_hP54_176_5h_3h_h:Co-Si-Zr +mp-569344,Zr(CoSi)2,-7.50337767,-0.7803832140000001,0.0,-0.0475638045,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Zr,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Zr +mp-1216086,Zr3Co8Si,-7.5980794742,-0.2701659508,0.1311050012,0.1311050012,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Co-Si-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Co-Si-Zr, expected Zr3Co20Si to be Zr3Co8Si" +mp-28832,Mn5As4,-7.1351535478,0.0255742389,0.2660832313,0.2660832313,GGA,Cmc2_1,A4B5_oC36_36_4a_5a:As-Mn,18.0,A4B5_oC36_36_4a_5a:As-Mn +mp-610522,Mn2As,-7.8253424533,-0.1642927903,0.016088954,0.016088954,GGA,P4/nmm,AB2_tP6_129_c_ac:As-Mn,6.0,"Invalid WP multiplicities - AB2_tP6_129_c_a2c:As-Mn, expected Mn3As to be Mn2As" +mp-542454,Mo2As3,-7.40525149,-0.271520403,0.0,-0.0092715748,GGA,C2/m,A3B2_mC20_12_3i_2i:As-Mo,10.0,A3B2_mC20_12_3i_2i:As-Mo +mp-28916,Mn3As2,-7.518319083,-0.1574625458,0.0589955474,0.0589955474,GGA,C2/m,A2B3_mC20_12_2i_ad2i:As-Mn,10.0,A2B3_mC20_12_2i_ad2i:As-Mn +mp-568856,Mn3As2,-7.507143261499999,-0.1462867243,0.0701713689,0.0701713689,GGA,Cmc2_1,A2B3_oC40_36_4a_6a:As-Mn,20.0,"Invalid WP multiplicities - A2B3_oC40_36_7a_12a:As-Mn, expected Mn12As7 to be Mn3As2" +mp-22240,MnAs,-7.181139465,-0.2705726165,0.0,-0.1155258912,GGA,Pnma,AB_oP8_62_c_c:As-Mn,8.0,AB_oP8_62_c_c:As-Mn +mp-610,MnAs,-7.14751145,-0.2369446015,0.033628015,-0.0818978762,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Mn,4.0,AB_hP4_194_c_a:As-Mn +mp-1009131,MnAs,-6.736047785,0.1745190635,0.44509168,0.3295657887,GGA,F-43m,AB_cF8_216_a_c:As-Mn,2.0,AB_cF8_216_a_c:As-Mn +mp-1221596,MnMoAs2,-7.5860547025,-0.2545791495,0.0208295111,0.0208295111,GGA,Pmn2_1,A2BC_oP8_31_2a_a_a:As-Mn-Mo,8.0,"Invalid WP multiplicities - A2BC_oP8_31_3a_a_a:As-Mn-Mo, expected MnMoAs3 to be MnMoAs2" +mp-9998,MoAs,-7.9839443988,-0.2315601413,0.0486845634,0.0486845634,GGA,Pnma,AB_oP8_62_c_c:As-Mo,8.0,AB_oP8_62_c_c:As-Mo +mp-2668,Mn3As,-8.16891555,-0.1326244797,0.0026618285,0.0026618285,GGA,Cmcm,AB3_oC16_63_c_3c:As-Mn,8.0,AB3_oC16_63_c_3c:As-Mn +mp-9305,Mn4As3,-7.4093985979,-0.1771962574,0.0547231282,0.0547231282,GGA,C2/m,A3B4_mC28_12_3i_ac3i:As-Mn,14.0,A3B4_mC28_12_3i_ad3i:As-Mn +mp-1337,MoAs2,-6.973754735,-0.252459095,0.0,-0.0261920925,GGA,C2/m,A2B_mC12_12_2i_i:As-Mo,6.0,A2B_mC12_12_2i_i:As-Mo +mp-1180144,MnMo3,-8.9765760475,1.448165358,1.448165358,1.448165358,GGA,R32,AB3_hR12_155_a_d:Mn-Mo,4.0,AB3_hR12_155_a_d:Mn-Mo +mp-1743,Mo5As4,-8.3811720022,-0.2850915389,0.0,-0.0792603022,GGA,I4/m,A4B5_tI18_87_h_ah:As-Mo,9.0,A4B5_tI18_87_h_ah:As-Mo +mp-569319,Mo5As4,-8.1740012067,-0.0779207433,0.2071707956,0.1279104933,GGA,I4/m,A4B5_tI18_87_h_ah:As-Mo,9.0,"Invalid WP multiplicities - A4B5_tI18_87_h_a2h:As-Mo, expected Mo9As4 to be Mo5As4" +mp-1222233,Mn23As16,-7.4594894669,-0.1448164875,0.0771918132,0.0771918132,GGA,P1,A16B23_aP39_1_16a_23a:As-Mn,39.0,A16B23_aP39_1_16a_23a:As-Mn +mp-1186459,PdRu,-6.999469995,0.22767218,0.22767218,0.22767218,GGA,P-6m2,AB_hP2_187_a_d:Pd-Ru,2.0,AB_hP2_187_a_d:Pd-Ru +mp-866052,Gd2PdRu,-11.2310142925,-0.579382085,0.0,-0.0421723312,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Pd-Ru +mp-12505,LuAgSn,-4.3091421567,-0.5214493639000001,0.0,-0.1004651773,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Lu-Sn,6.0,ABC_hP6_186_b_a_b:Ag-Lu-Sn +mp-3608,LuAgSn,-4.2986447767,-0.5109519839000001,0.01049738,-0.0899677973,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Lu-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:Ag-Lu-Sn, expected Lu3Ag3Sn5 to be LuAgSn" +mp-1217483,TlMo3Br7,-5.2788089874,-1.1178279159,0.0007202772,0.0007202772,GGA,P222,A7B3C_oP88_16_14u_6u_abchu:Br-Mo-Tl,88.0,A7B3C_oP88_16_14u_6u_abchu:Br-Mo-Tl +mp-29555,MoBr2,-5.75263288,-1.1020639567,0.0,-0.1765381689,GGA,Cmce,A2B_oC72_64_df2g_d2f:Br-Mo,36.0,"Invalid WP multiplicities - A2B_oC72_64_df3g_d2f:Br-Mo, expected Mo3Br8 to be MoBr2" +mp-23312,MoBr3,-4.9174002863,-1.0412165113,0.0,-0.2146685437,GGA,Pmmn,A3B_oP16_59_ab2e_f:Br-Mo,16.0,A3B_oP16_59_ab2e_f:Br-Mo +mp-1205355,MoBr3,-4.9064888775,-1.0303051025,0.0109114088,-0.203757135,GGA,P6_3/mcm,A3B_hP8_193_g_b:Br-Mo,8.0,A3B_hP8_193_g_b:Br-Mo +mp-1096411,Zr2InTc,-4.5551638275,2.9967671562,3.2954512184,3.2954512184,GGA,Immm,ABC2_oI8_71_a_b_e:In-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:In-Tc-Zr +mp-1209474,SmNiPb,-5.1460597417,-0.4089364467,0.604930274,0.604930274,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Pb-Sm,12.0,ABC_oP12_62_c_c_c:Ni-Pb-Sm +mp-1186700,Pr3Br,-4.2705052975,-0.2965688987,0.505128471,0.505128471,GGA,P6_3/mmc,AB3_hP8_194_c_h:Br-Pr,8.0,AB3_hP8_194_c_h:Br-Pr +mp-1186696,Pr3Br,-4.27432465,-0.3003882512,0.5013091185,0.5013091185,GGA,Pm-3m,AB3_cP4_221_a_c:Br-Pr,4.0,AB3_cP4_221_a_c:Br-Pr +mp-570902,Pr6RuBr10,-5.1098940541,-1.9634163853,0.0,-0.0172377372,GGA,P-1,A10B6C_aP17_2_5i_3i_a:Br-Pr-Ru,17.0,"Invalid WP multiplicities - A10B6C_aP17_2_10i_6i_a:Br-Pr-Ru, expected Pr12RuBr20 to be Pr6RuBr10" +mp-23169,Pr2Br5,-4.7658429364,-2.2905639136,0.0,-0.0307579945,GGA,P2_1/m,A5B2_mP14_11_5e_2e:Br-Pr,14.0,A5B2_mP14_11_5e_2e:Br-Pr +mp-1209743,Pr3RuBr3,-5.5591022086,-1.5196443807,0.0,-0.04173361,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:Br-Pr-Ru,14.0,A3B3C_mP14_11_3e_3e_e:Br-Pr-Ru +mp-23221,PrBr3,-4.7327939012,-2.372796215,0.0,-0.3685527906,GGA,P6_3/m,A3B_hP8_176_h_c:Br-Pr,8.0,A3B_hP8_176_h_c:Br-Pr +mp-865753,YbErPd2,-5.014528825,-0.8977561475,0.0,-0.0020011025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pd-Yb,,AB2C_cF16_225_a_c_b:Er-Pd-Yb +mp-1247753,PmNdTl2,-3.9527618725,-0.3917678604,0.0,-0.0676859744,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Nd-Pm-Tl +mp-867345,TcIr3,-9.3932433112,-0.17425794,0.0,-0.0650086012,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Tc,8.0,A3B_hP8_194_h_c:Ir-Tc +mp-1097312,Zr2TcIr,-5.9256948875,3.1479237088,3.848339895,3.7445971744,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Ir-Tc-Zr +mp-1188001,Zr2TcIr,-9.7740347825,-0.7004161862,0.0,-0.1037427206,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Ir-Tc-Zr +mp-862770,Tc3Ir,-10.2084099775,-0.2283222238,0.0,-0.119072885,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ir-Tc,8.0,AB3_hP8_194_c_h:Ir-Tc +mp-1217409,TcIr,-9.81803524,-0.2184986775,0.0,-0.0172085956,GGA,P-6m2,AB_hP2_187_a_d:Ir-Tc,2.0,AB_hP2_187_a_d:Ir-Tc +mp-1184595,Ho2IrAu,-6.1777918625,-0.8585083825000001,0.030687395,0.030687395,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ho-Ir,4.0,AB2C_cF16_225_a_c_b:Au-Ho-Ir +mp-1212550,Sc3Sb2,-3.015919654,2.435162305,3.3867137218,3.3867137218,GGA,P4/mmm,A2B3_tP5_123_g_ag:Sb-Sc,5.0,A2B3_tP5_123_g_ag:Sb-Sc +mp-1197755,Sc5Sb3,-6.4350041375,-0.9288354819,0.0028861559,-0.0360249313,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Sc,32.0,A3B5_oP32_62_cd_3cd:Sb-Sc +mp-1209044,Sc5Sb3,-6.4378902934,-0.9317216378,0.0,-0.0389110872,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Sc,32.0,A3B5_oP32_62_cd_3cd:Sb-Sc +mp-1186995,ScSb3,-5.05489512,-0.3750269138,0.1404083525,0.1404083525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sb-Sc,8.0,A3B_hP8_194_h_c:Sb-Sc +mp-7192,Sc2Sb,-6.4447703733,-0.8467905567,0.0,-0.0185935453,GGA,P4/nmm,AB2_tP6_129_c_ac:Sb-Sc,6.0,AB2_tP6_129_c_ac:Sb-Sc +mp-1077197,CeScSb,-6.27985816,-0.8150049933,0.01469905,0.01469905,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ce-Sb-Sc,6.0,ABC_tI12_139_e_e_c:Ce-Sb-Sc +mp-12983,ScSb,-5.94001652,-0.7092813475,0.321589185,0.0368753823,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Sc,2.0,AB_cP2_221_a_b:Sb-Sc +mp-549,ScSb,-6.261605705,-1.0308705325,0.0,-0.2847138027,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Sc,2.0,AB_cF8_225_a_b:Sb-Sc +mp-978546,Sc3Sb,-6.3282007525,-0.5465986137000001,0.0884943038,0.0884943038,GGA,I4/mmm,AB3_tI8_139_a_bd:Sb-Sc,4.0,AB3_tI8_139_a_bd:Sb-Sc +mp-29619,Sr2Bi,-3.174081255,-0.7675892428000001,0.0251827037,0.0251827037,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Sr,6.0,AB2_tI12_139_e_ce:Bi-Sr +mp-972249,Sr3Bi,-2.6421577562,-0.4149153837,0.1796635761,0.1796635761,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Sr,8.0,AB3_hP8_194_c_h:Bi-Sr +mp-1183505,Bi3As,-3.8055353038,0.239611145,0.239611145,0.239611145,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Bi,8.0,AB3_hP8_194_c_h:As-Bi +mp-1013587,Sr3Bi2,-3.074185236,-0.5242935120000001,0.370637359,0.370637359,GGA,Pm-3m,A2B3_cP5_221_ab_c:Bi-Sr,5.0,A2B3_cP5_221_ab_c:Bi-Sr +mp-23159,SrBi3,-3.7778407725,-0.4751005617,0.0,-0.0161915859,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Sr,4.0,A3B_cP4_221_c_a:Bi-Sr +mp-30893,Sr4Bi3,-3.5097795357,-0.8984307924,0.0,-0.0119813726,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Sr,14.0,A3B4_cI28_220_a_c:Bi-Sr +mp-1218680,Sr4Bi11,-3.524084618,-0.2571943351,0.2467010932,0.2467010932,GGA,P-1,A11B4_aP15_2_a5i_2i:Bi-Sr,15.0,"Invalid WP multiplicities - A11B4_aP15_2_a10i_3i:Bi-Sr, expected Sr2Bi7 to be Sr4Bi11" +mp-1013705,Sr3BiAs,-3.031049652,-0.317432073,0.6848691188,0.6848691188,GGA,Pm-3m,ABC3_cP5_221_a_b_c:As-Bi-Sr,5.0,ABC3_cP5_221_a_b_c:As-Bi-Sr +mp-1013564,Sr3BiAs,-3.600384582,-0.8867670030000001,0.1155341888,0.1155341888,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Bi-Sr,5.0,ABC3_cP5_221_b_a_c:As-Bi-Sr +mp-31150,Sr2Bi3,-3.7143452205,-0.7342543612,0.0,-0.0364449914,GGA,Pnna,A3B2_oP20_52_de_cd:Bi-Sr,20.0,A3B2_oP20_52_de_cd:Bi-Sr +mp-30305,Sr11Bi10,-3.5954096219,-0.881632513,0.0,-0.0288062849,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Bi-Sr,42.0,A10B11_tI84_139_dehim_eh2n:Bi-Sr +mp-1197242,Sr5Bi3,-3.3780807122,-0.8819638801,0.0099045597,-0.0571314594,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Sr,32.0,A3B5_oP32_62_cd_3cd:Bi-Sr +mp-29620,Sr5Bi3,-3.3879852719,-0.8918684398000001,0.0,-0.0670360191,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Sr,16.0,A3B5_hP16_193_g_dg:Bi-Sr +mp-1096194,Tl2HgAu,-1.392039305,0.6836728596,0.7197536858,0.7197536858,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-Tl,4.0,ABC2_oI8_71_a_b_e:Au-Hg-Tl +mp-1219487,SbTePt,-5.05592916,-0.6081156756,0.0,-0.0295145913,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-Sb-Te,12.0,ABC_cP12_198_a_a_a:Pt-Sb-Te +mp-861903,LiBiRh2,-5.4136103225,-0.2941033883,0.0,-0.0497434775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Bi-Li-Rh +mp-1221736,MnBi,-6.3072682963,0.1939839148,0.1939839148,0.1939839148,GGA,Pmma,AB_oP8_51_ef_af:Bi-Mn,8.0,AB_oP8_51_ef_af:Bi-Mn +mp-568382,MnBi,-6.3181943375,0.1830578735,0.1830578735,0.1830578735,GGA,P6_3/mmc,AB_hP4_194_c_a:Bi-Mn,4.0,AB_hP4_194_c_a:Bi-Mn +mp-22878,MnBi,-6.076961645,0.424290566,0.424290566,0.424290566,GGA,P6_3/mmc,AB_hP4_194_a_c:Bi-Mn,4.0,AB_hP4_194_a_c:Bi-Mn +mp-1077840,Mn(BiTe2)2,-4.6419598986,-0.4396431664,0.0106779991,0.0106779991,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-Mn-Te,7.0,A2BC4_hR21_166_c_a_2c:Bi-Mn-Te +mp-1185989,MnBi3,-4.81285201,0.3580186605,0.3580186605,0.3580186605,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Mn,4.0,A3B_cP4_221_c_a:Bi-Mn +mp-623452,Mn3Bi,-7.4503953275,0.3812384241,0.3812384241,0.3812384241,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-Mn,4.0,"Invalid WP multiplicities - AB3_tI8_139_a_b2d:Bi-Mn, expected Mn5Bi to be Mn3Bi" +mp-669332,Mn3Bi,-7.214056215,0.6175775366,0.6175775366,0.6175775366,GGA,R-3m,AB3_hR48_166_ae_fh:Bi-Mn,16.0,"Invalid WP multiplicities - AB3_hR48_166_a2e_3f3h:Bi-Mn, expected Mn36Bi7 to be Mn3Bi" +mp-1095196,HfGeOs,-9.1945000367,-0.5919719317000001,0.0,-0.0986638825,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Hf-Os,9.0,ABC_hP9_189_ad_f_g:Ge-Hf-Os +mp-1079303,GdNiGe3,-7.329480765,-0.584412268,0.0,-0.1195763075,GGA,Cmmm,AB3C_oC20_65_g_g2h_h:Gd-Ge-Ni,10.0,AB3C_oC20_65_g_g2h_h:Gd-Ge-Ni +mp-646399,Gd(NiGe)2,-6.645340282,0.33114998,0.8615227670000001,0.8615227670000001,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Gd-Ge-Ni +mp-992,CaGa2,-3.1702377933,-0.4829738183,0.036045,0.0004171974,GGA,P6/mmm,AB2_hP3_191_a_d:Ca-Ga,3.0,AB2_hP3_191_a_d:Ca-Ga +mp-11284,CaGa2,-3.2062827933,-0.5190188183000001,0.0,-0.0356278026,GGA,P6_3/mmc,AB2_hP6_194_b_f:Ca-Ga,6.0,AB2_hP6_194_b_f:Ca-Ga +mp-1172894,CaGa2,-0.8047213567,1.8825426183,2.4015614367,2.3659336341,GGA,P6_3/mmc,AB2_hP6_194_b_f:Ca-Ga,6.0,AB2_hP6_194_b_f:Ca-Ga +mp-6914,CaGa,-2.99279355,-0.4759455988,0.0,-0.026849661,GGA,Cmcm,AB_oC8_63_c_c:Ca-Ga,4.0,AB_oC8_63_c_c:Ca-Ga +mp-1189870,Ca5Ga3,-2.7682954637,-0.3792595303,0.0,-0.0028809094,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ca-Ga,16.0,A5B3_tI32_140_cl_ah:Ca-Ga +mp-568793,Ca28Ga11,-2.5695603674000003,-0.2755641396,0.0096908918,0.0096908918,GGA,Imm2,A28B11_oI78_44_ab13c_a5c:Ca-Ga,39.0,"Invalid WP multiplicities - A28B11_oI78_44_ab26c_a9c:Ca-Ga, expected Ca54Ga19 to be Ca28Ga11" +mp-2461,CaGa4,-3.187540334,-0.36394354,0.001600682,-0.04340822,GGA,C2/m,AB4_mC10_12_a_hi:Ca-Ga,5.0,AB4_mC10_12_a_hi:Ca-Ga +mp-1976,CaGa4,-3.189141016,-0.365544222,0.0,-0.045008902,GGA,I4/mmm,AB4_tI10_139_a_de:Ca-Ga,5.0,AB4_tI10_139_a_de:Ca-Ga +mp-30474,Ca11Ga7,-2.7935558386,-0.3903185699,0.0,-0.0003161431,GGA,Fm-3m,A11B7_cF144_225_abfh_ef:Ca-Ga,36.0,A11B7_cF144_225_abfh_ef:Ca-Ga +mp-1183472,CaAcGa2,-3.4959707825,-0.4502290494,0.0,-0.0349813196,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ca-Ga,4.0,ABC2_cF16_225_a_b_c:Ac-Ca-Ga +mp-12611,Ca3Ga8,-3.1863270564,-0.4370936182,0.01216402,0.01216402,GGA,Immm,A3B8_oI22_71_af_2e2f:Ca-Ga,11.0,A3B8_oI22_71_af_2e2f:Ca-Ga +mp-30473,Ca3Ga5,-3.1598804456,-0.5152204766,0.0,-0.0069699631,GGA,Cmcm,A3B5_oC32_63_cf_c2f:Ca-Ga,16.0,A3B5_oC32_63_cf_c2f:Ca-Ga +mp-867815,AcGa3,-3.83319056,-0.5318247912,0.0,-0.5318247912,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Ga,8.0,AB3_hP8_194_c_h:Ac-Ga +mp-21199,Na3(GePt)4,-4.7524729664,-0.5029983682,0.0,-0.1622428282,GGA,I-43m,A4B3C4_cI22_217_c_b_c:Ge-Na-Pt,11.0,A4B3C4_cI22_217_c_b_c:Ge-Na-Pt +mp-1210253,Na4Pt,-2.019054693,0.2531922058,0.3628662454,0.3628662454,GGA,Fd-3m,A4B_cF40_227_e_a:Na-Pt,10.0,A4B_cF40_227_e_a:Na-Pt +mp-982871,Na3Pt,-2.5584668375,-0.0487895374,0.0883030122,0.0883030122,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Pt,4.0,A3B_tI8_139_ad_b:Na-Pt +mp-983445,Na3Pt,-2.5448571237,-0.0351798237,0.1019127259,0.1019127259,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Pt,8.0,A3B_hP8_194_h_c:Na-Pt +mp-1186175,NaPt,-3.86731701,-0.1704877033,0.1036973959,0.1036973959,GGA,P-6m2,AB_hP2_187_a_d:Na-Pt,2.0,AB_hP2_187_a_d:Na-Pt +mp-2271,NaPt2,-4.85384411,-0.3655801322,0.0,-0.2519216633,GGA,Fd-3m,AB2_cF24_227_a_d:Na-Pt,6.0,AB2_cF24_227_a_d:Na-Pt +mp-865766,YbHgPd2,-3.7067234175,-0.6559603513000001,0.0,-0.0406093213,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pd-Yb,,AB2C_cF16_225_a_c_b:Hg-Pd-Yb +mp-10645,TbSe,-5.53883978,-1.4737009912,0.525363895,0.3271984975,GGA,P6_3mc,AB_hP4_186_b_b:Se-Tb,4.0,AB_hP4_186_b_b:Se-Tb +mp-2416214,TbSe,-5.8313264225,-1.7661876337,0.2328772525,0.034711855,GGA,P6_3/mmc,AB_hP4_194_c_d:Se-Tb,4.0,AB_hP4_194_c_d:Se-Tb +mp-1561,TbSe,-6.064203675,-1.9990648862,0.0,-0.1981653975,GGA,Fm-3m,AB_cF8_225_a_b:Se-Tb,2.0,AB_cF8_225_a_b:Se-Tb +mp-15257,Tb2Se3,-6.1062739425,-2.1549806159,0.0,-0.1294027361,GGA,Pnma,A3B2_oP20_62_3c_2c:Se-Tb,20.0,A3B2_oP20_62_3c_2c:Se-Tb +mp-685003,Tb2Se3,-6.0792863952,-2.1279930687,0.0269875473,-0.1024151888,GGA,I-42d,A3B2_tI80_122_3e_cde:Se-Tb,40.0,"Invalid WP multiplicities - A3B2_tI80_122_15e_4c4d5e:Se-Tb, expected Tb3Se5 to be Tb2Se3" +mp-1187303,Tb3Se,-4.8433722,-0.4936197556,0.5059126875000001,0.5059126875000001,GGA,Pm-3m,AB3_cP4_221_a_c:Se-Tb,4.0,AB3_cP4_221_a_c:Se-Tb +mp-1187323,Tb3Zr,-5.5103474625,0.10235227,0.10235227,0.10235227,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Zr,4.0,A3B_tI8_139_ad_b:Tb-Zr +mp-568808,Tb3Se4,-6.0419914457,-2.0581708442,0.0522624204,0.0522624204,GGA,I-43d,A4B3_cI28_220_c_a:Se-Tb,14.0,A4B3_cI28_220_c_a:Se-Tb +mp-1217676,Tb8Se15,-5.8579559868,-1.9660602927,0.0,-0.0235631441,GGA,C2,A15B8_mC138_5_2ab21c_2a11c:Se-Tb,69.0,A15B8_mC138_5_2ab21c_2a11c:Se-Tb +mp-1217416,TbZr3,-7.514723055,0.0546439425,0.0546439425,0.0546439425,GGA,P-6m2,AB3_hP4_187_a_bh:Tb-Zr,4.0,AB3_hP4_187_a_bh:Tb-Zr +mp-1208313,TbSe3,-4.0813904925,-0.3008653593,1.1122404761,1.1122404761,GGA,Cmmm,A3B_oC8_65_ce_b:Se-Tb,4.0,A3B_oC8_65_ce_b:Se-Tb +mp-978918,TbZr,-6.47198836,0.119045005,0.119045005,0.119045005,GGA,P-6m2,AB_hP2_187_a_d:Tb-Zr,2.0,AB_hP2_187_a_d:Tb-Zr +mp-1025077,TbSe2,-5.758870315,-1.8834739632,0.0006671506,0.0006671506,GGA,P4/nmm,A2B_tP6_129_ac_c:Se-Tb,6.0,A2B_tP6_129_ac_c:Se-Tb +mp-1201635,Tb2ZrSe5,-6.3577364838,-1.9457377065,0.0174606416,0.0174606416,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Se-Tb-Zr,32.0,A5B2C_oP32_62_3cd_d_c:Se-Tb-Zr +mp-10516,Dy6FeTe2,-5.4148932878,-0.7040761726,0.0,-0.0152010451,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Dy-Fe-Te,9.0,A6BC2_hP9_189_fg_a_d:Dy-Fe-Te +mp-1194186,Dy6Fe23,-7.7168562852,-0.0461249448,0.0112438503,0.0112438503,GGA,Fm-3m,A6B23_cF116_225_e_ad2f:Dy-Fe,29.0,A6B23_cF116_225_e_ad2f:Dy-Fe +mp-1213260,Dy4Fe,-4.958068424,0.42136529,0.4450062955,0.4450062955,GGA,Fd-3m,A4B_cF40_227_e_a:Dy-Fe,10.0,A4B_cF40_227_e_a:Dy-Fe +mp-1757,DyFe2,-7.2610797717,-0.0788033517,0.0,-0.0171850161,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-Fe,6.0,AB2_cF24_227_a_d:Dy-Fe +mp-568006,DyFe5,-7.87196758,-0.045818765,0.0003949867,0.0003949867,GGA,P6/mmm,AB5_hP6_191_a_cg:Dy-Fe,6.0,"Invalid WP multiplicities - AB5_hP6_191_a_2c3g:Dy-Fe, expected DyFe13 to be DyFe5" +mp-1101819,DyFe3,-7.573533245,-0.0693206275,0.0,-0.0070095692,GGA,R-3m,AB3_hR36_166_ac_bch:Dy-Fe,12.0,AB3_hR36_166_ac_bch:Dy-Fe +mp-1106107,Dy2Fe17,-8.0709613268,-0.0075963663,0.0215912663,0.0215912663,GGA,R-3m,A2B17_hR57_166_c_cdfh:Dy-Fe,19.0,A2B17_hR57_166_c_cdfh:Dy-Fe +mp-1196404,Dy2Fe17,-8.0729475734,-0.0095826129,0.0196050197,0.0196050197,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Dy-Fe,38.0,A2B17_hP38_194_bc_fgjk:Dy-Fe +mp-1187648,Tm3Ge,-4.8078068575,-0.2951733262,0.2394172161,0.2394172161,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Tm,4.0,AB3_tI8_139_a_bd:Ge-Tm +mp-1187663,Tm3Ge,-4.7965139975,-0.2838804662,0.2507100761,0.2507100761,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Tm,8.0,AB3_hP8_194_c_h:Ge-Tm +mp-1078795,TmGe3,-5.0181334512,-0.4319037042,0.01752842,0.01752842,GGA,Cmcm,A3B_oC16_63_3c_c:Ge-Tm,8.0,A3B_oC16_63_3c_c:Ge-Tm +mp-1198925,Tm5(Co2Ge5)2,-5.7538100171,-0.6462980778,0.0,-0.0386644961,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Tm,38.0,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Tm +mp-5983,Tm(CoGe)2,-6.185462128,-0.5977567833,0.0,-0.0839942468,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Tm,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Tm +mp-1104486,Tm3Ge4,-5.3137922229,-0.7538468386,0.0,-0.0176731929,GGA,Cmcm,A4B3_oC28_63_acf_cf:Ge-Tm,14.0,A4B3_oC28_63_acf_cf:Ge-Tm +mp-1196455,Tm5Ge4,-5.3818112169,-0.8405569351000001,0.0,-0.0170183791,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Tm,36.0,A4B5_oP36_62_2cd_c2d:Ge-Tm +mp-1079861,TmCoGe2,-5.7903022712,-0.5827500392,0.053435269,0.053435269,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Tm,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Tm +mp-1101079,TmCoGe,-6.089011375,-0.6866176839,0.0,-0.0548047204,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Tm,12.0,ABC_oP12_62_c_c_c:Co-Ge-Tm +mp-1202164,Tm3Co4Ge13,-5.5004794685,-0.4024724902,0.0026737871,0.0026737871,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Tm,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Tm +mp-1079667,Tm2CoGe2,-5.813639221,-0.7524303507,0.0,-0.004911038,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Tm,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Tm +mp-1104464,Tm(CoGe)6,-6.1129661946,-0.354203939,0.0095045215,0.0095045215,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Tm,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Tm +mp-1216561,Tm2Ge3,-5.008686202,-0.4445353197,0.262930317,0.262930317,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Tm,5.0,A3B2_hP5_187_abc_i:Ge-Tm +mp-1207971,Tm(Co2Ge)2,-6.4148182479,-0.3926522031,0.0343169279,0.0343169279,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Co-Ge-Tm,14.0,A4B2C_tP14_136_i_f_a:Co-Ge-Tm +mp-1203550,Tm11Ge10,-5.37936401,-0.8334369525,0.006157023,0.006157023,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Tm,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Tm +mp-998911,TmGe,-5.388303395,-0.8388717558000001,0.0,-0.0253323318,GGA,Cmcm,AB_oC8_63_c_c:Ge-Tm,4.0,AB_oC8_63_c_c:Ge-Tm +mp-13037,TmGe2,-5.1732065433,-0.5992428322000001,0.0,-0.0129175133,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-Tm,6.0,A2B_oC12_63_2c_c:Ge-Tm +mp-1188310,Tm5Ge3,-5.3329183988,-0.8018858135,0.0,-0.0926658996,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Tm,16.0,A3B5_hP16_193_g_dg:Ge-Tm +mp-1216574,Tm2CoGe4,-5.5471753043,-0.6111610098,0.0200121677,0.0200121677,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Tm,,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Tm +mp-1006328,LiCeSn,-4.4819689604,-0.5314410015000001,0.0,-0.0518241157,GGA,P6_3mc,ABC_hP24_186_ac_bc_bc:Ce-Li-Sn,24.0,ABC_hP24_186_ac_bc_bc:Ce-Li-Sn +mp-11830,LiCeSn,-4.31337403,-0.3628460711,0.1685949304,0.1167708147,GGA,F-43m,ABC_cF12_216_a_c_b:Ce-Li-Sn,3.0,ABC_cF12_216_a_c_b:Ce-Li-Sn +mp-1185039,Li2CeSn,-3.8167554475,-0.3766287617,0.0470860386,0.0470860386,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Ce-Li-Sn +mp-20754,LiCeSn2,-4.4687576212,-0.5034686883,0.0286172096,0.0286172096,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Li-Sn,8.0,ABC2_oC16_63_c_c_2c:Ce-Li-Sn +mp-862914,Er2ZnTc,-5.3752013925,-0.1862463488,0.0758758703,0.0758758703,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Tc-Zn,4.0,A2BC_cF16_225_c_a_b:Er-Tc-Zn +mp-1183208,AlGa3,-3.1623226725,0.0451433019,0.0451433019,0.0451433019,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Ga,4.0,AB3_tI8_139_a_bd:Al-Ga +mp-1220348,Nb6AlGa,-8.5970447362,-0.1743569747,0.0490751817,0.0490751817,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Ga-Nb,8.0,ABC6_cP8_200_a_b_f:Al-Ga-Nb +mp-983594,Al3Ga,-3.5366086475,0.0295972306,0.0295972306,0.0295972306,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Ga,4.0,A3B_cP4_221_c_a:Al-Ga +mp-1220742,Nb12Al3Ga,-8.6413873219,-0.1738570723,0.0477853891,0.0477853891,GGA,Pmmm,A3BC12_oP16_47_al_b_2knpw:Al-Ga-Nb,16.0,"Invalid WP multiplicities - A3BC12_oP16_47_al_b_4k2n2p2w:Al-Ga-Nb, expected Nb24Al3Ga to be Nb12Al3Ga" +mp-1220675,Nb2(AlGa)3,-5.4243773025,-0.3589240978,0.00982406,0.00982406,GGA,P-4m2,A3B3C2_tP8_115_ag_bcd_g:Al-Ga-Nb,8.0,A3B3C2_tP8_115_ag_bcd_g:Al-Ga-Nb +mp-1196759,Yb11Bi10,-3.4473049807,-0.8120391531000001,0.0,-0.0239416111,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Bi-Yb,,A10B11_tI84_139_dehim_eh2n:Bi-Yb +mp-1006226,ZnBi,-2.4682333137,0.0818830563,0.0818830563,0.0818830563,GGA,Pbca,AB_oP16_61_c_c:Bi-Zn,16.0,AB_oP16_61_c_c:Bi-Zn +mp-1064405,ZnBi,-2.33546442,0.21465195,0.21465195,0.21465195,GGA,P6_3mc,AB_hP4_186_b_b:Bi-Zn,4.0,AB_hP4_186_b_b:Bi-Zn +mp-1215867,Yb9Zn4Bi9,-3.1049184877,-0.6749252545000001,0.0,-0.0214579919,GGA,Pbam,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Yb-Zn,,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Yb-Zn +mp-971718,ZnBi3,-3.0548807125,0.1404220375,0.1404220375,0.1404220375,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Zn,4.0,A3B_tI8_139_ad_b:Bi-Zn +mp-1100776,ZnBi3,-3.04278422,0.15251853,0.15251853,0.15251853,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Zn,4.0,A3B_cP4_221_c_a:Bi-Zn +mp-23310,Yb4Bi3,-3.3679300879,-0.842230015,0.0,-0.0257869789,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Yb,,A3B4_cI28_220_a_c:Bi-Yb +mp-567280,Yb5Bi3,-3.2238360031,-0.8213974044,0.0,-0.0844461413,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Yb,,"Invalid WP multiplicities - A3B5_oP32_62_3c4d_12c5d:Bi-Yb, expected Yb2Bi to be Yb5Bi3" +mp-1024947,YbBi2,-3.6450964967,-0.57156765,0.0,-0.0304320556,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Yb,,A2B_oC12_63_2c_c:Bi-Yb +mp-1187914,YbBi3,-3.687884205,-0.4226152875,0.00606045,0.00606045,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Yb,,A3B_cP4_221_c_a:Bi-Yb +mp-1208548,Tb3(Al3Os)4,-6.0533209611,-0.5922958042,0.0,-0.0619229606,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Tb,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Tb +mp-1187362,TbOs3,-9.1339543525,0.445162745,0.6582404819000001,0.6582404819000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Tb,8.0,A3B_hP8_194_h_c:Os-Tb +mp-1095666,TbOs2,-9.3138039692,-0.2841036492,0.0,-0.1788168914,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Tb,12.0,A2B_hP12_194_ah_f:Os-Tb +mp-1189565,Tb3Os,-6.5195116375,-0.236895205,0.0,-0.1303563366,GGA,Pnma,AB3_oP16_62_c_cd:Os-Tb,16.0,AB3_oP16_62_c_cd:Os-Tb +mp-1212073,HoZnGe,-4.1463869917,-0.6579935467,0.0,-0.0483341523,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Ho-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Ho-Zn +mp-1193486,Ho4Zn5Ge6,-4.0333540463,-0.542252669,0.0,-0.0133177418,GGA,Cmc2_1,A6B4C5_oC60_36_6a_4a_5a:Ge-Ho-Zn,30.0,A6B4C5_oC60_36_6a_4a_5a:Ge-Ho-Zn +mp-29016,SrThBr6,-4.6173981087,-2.3147078983,0.0446538381,0.0446538381,GGA,Pmma,A6BC_oP16_51_efij_e_f:Br-Sr-Th,16.0,A6BC_oP16_51_efij_e_f:Br-Sr-Th +mp-980667,SrBr3,-3.3409721688,-1.7538275579,0.166970575,0.166970575,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Sr,8.0,A3B_hP8_194_h_c:Br-Sr +mp-1191061,Th2Br5,-5.154306451,-1.9267552867,0.0717628133,0.0717628133,GGA,Im-3m,A5B2_cI42_229_bh_e:Br-Th,21.0,A5B2_cI42_229_bh_e:Br-Th +mp-570229,ThBr4,-4.963534586,-2.238340272,0.0,-0.8896115713,GGA,I4_1/a,A4B_tI20_88_f_a:Br-Th,10.0,A4B_tI20_88_f_a:Br-Th +mp-23160,ThBr4,-4.955275845,-2.230081531,0.008258741,-0.8813528303,GGA,I4_1/amd,A4B_tI20_141_h_a:Br-Th,10.0,A4B_tI20_141_h_a:Br-Th +mp-567744,SrBr2,-4.1595808817,-2.5610641772,0.0,-1.002106348,GGA,Pnma,A2B_oP12_62_2c_c:Br-Sr,12.0,"Invalid WP multiplicities - A2B_oP12_62_6c_c:Br-Sr, expected SrBr6 to be SrBr2" +mp-32711,SrBr2,-4.1455844427,-2.5470677382,0.013996439,-0.988109909,GGA,P4/n,A2B_tP30_85_ab2g_cg:Br-Sr,30.0,"Invalid WP multiplicities - A2B_tP30_85_2a2b11g_2c3g:Br-Sr, expected Sr7Br24 to be SrBr2" +mp-1187158,SrBr2,-4.1441980033,-2.5456812989,0.0153828783,-0.9867234696,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Sr,6.0,A2B_tP6_136_f_a:Br-Sr +mp-1208286,ThBr2,-5.0697459317,-1.5631076283,0.3021759317,0.3021759317,GGA,I4_1/a,A2B_tI24_88_f_c:Br-Th,12.0,A2B_tI24_88_f_c:Br-Th +mp-1208561,ThBr2,-4.1779379967,-0.6712996933,1.1939838667,1.1939838667,GGA,I4_1/amd,A2B_tI24_141_h_c:Br-Th,12.0,A2B_tI24_141_h_c:Br-Th +mp-979116,Th3Br,-6.0315991025,-0.0829483325,0.6165330025,0.6165330025,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Th,4.0,AB3_tI8_139_a_bd:Br-Th +mp-1095759,Mn2CrRu,-5.97675309,3.3361170585,3.3374459646,3.3374459646,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Mn-Ru,4.0,AB2C_oI8_71_a_e_b:Cr-Mn-Ru +mp-865161,Dy2AgRu,-5.6908295375,-0.3606964817,0.0,-0.0197564511,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Dy-Ru,4.0,AB2C_cF16_225_a_c_b:Ag-Dy-Ru +mp-975897,Hf2RuRh,-9.9635587825,-0.825286665,0.0183689225,0.0183689225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Rh-Ru,4.0,A2BC_cF16_225_c_a_b:Hf-Rh-Ru +mp-1186462,Pm2CuPd,-5.16411536,-0.4690720788,0.0,-0.1557517621,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pd-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Pd-Pm +mp-1184185,CuPb3,-3.5483102375,0.2609767325,0.2609767325,0.2609767325,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Pb,4.0,AB3_tI8_139_a_bd:Cu-Pb +mp-1184128,CuPb3,-3.554600375,0.254686595,0.254686595,0.254686595,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Pb,4.0,AB3_cP4_221_a_c:Cu-Pb +mp-607409,Hf5CuPb3,-7.3153276989,-0.0905395844,0.0,-0.02935905,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Hf-Pb,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_3d3g_g:Cu-Hf-Pb, expected Hf15CuPb3 to be Hf5CuPb3" +mp-1224371,GeAsAu,-4.26329579,-0.0779530367,0.0,-0.0492490056,GGA,C2,ABC_mC12_5_c_c_c:As-Au-Ge,6.0,ABC_mC12_5_c_c_c:As-Au-Ge +mp-2647063,RuCl3,-4.6806673750000005,-0.975664245,0.0294616613,-0.975664245,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Ru,16.0,A3B_mC16_12_ij_g:Cl-Ru +mp-570880,RuCl3,-4.7095626944,-1.0045595644,0.0005663419,-1.0045595644,GGA,Pmmn,A3B_oP16_59_ab2e_f:Cl-Ru,16.0,A3B_hP8_193_g_b:Cl-Ru +mp-570997,RuCl3,-4.6811165579,-0.9761134279,0.0290124783,-0.9761134279,GGA,P3_112,A3B_hP24_151_3c_2a:Cl-Ru,24.0,"Invalid WP multiplicities - A3B_hP24_151_16c_2a:Cl-Ru, expected RuCl16 to be RuCl3" +mp-22850,RuCl3,-4.7101290362,-1.0051259062,0.0,-1.0051259062,GGA,P6_3/mcm,A3B_hP8_193_g_b:Cl-Ru,8.0,A3B_hP8_193_g_b:Cl-Ru +mp-23309,ScCl3,-5.5481117512,-2.57859198,0.0,-1.114221197,GGA,R-3,A3B_hR24_148_f_c:Cl-Sc,8.0,A3B_hR24_148_f_c:Cl-Sc +mp-1199442,Sc5RuCl9,-6.0125820153,-2.1743434817,0.0,-0.0226522162,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Cl-Ru-Sc,120.0,A9BC5_tI240_88_9f_f_5f:Cl-Ru-Sc +mp-23186,Sc7Cl12,-5.6585318726,-2.1580201013,0.0488060051,0.0488060051,GGA,R-3,A12B7_hR57_148_2f_af:Cl-Sc,19.0,A12B7_hR57_148_2f_af:Cl-Sc +mp-974467,Ru3Cl,-6.6104707375,0.8074653325000001,1.1425073012,1.1425073012,GGA,I4/mmm,AB3_tI8_139_a_bd:Cl-Ru,4.0,AB3_tI8_139_a_bd:Cl-Ru +mp-542449,Sc5Cl8,-5.7291123908,-2.1559863288,0.0,-0.0066323886,GGA,C2/m,A8B5_mC26_12_4i_a2i:Cl-Sc,13.0,A8B5_mC26_12_4i_a2i:Cl-Sc +mp-27507,ScCl,-5.822480605,-1.7319777225,0.0213894627,0.0213894627,GGA,R-3m,AB_hR12_166_c_c:Cl-Sc,4.0,AB_hR12_166_c_c:Cl-Sc +mp-27513,Sc7Cl10,-5.7576467082,-2.0627849238,0.0,-0.0019156389,GGA,C2/m,A10B7_mC34_12_5i_a3i:Cl-Sc,17.0,"Invalid WP multiplicities - A10B7_mC34_12_6i_a3i:Cl-Sc, expected Sc7Cl12 to be Sc7Cl10" +mp-1206525,SrAsAu,-4.13629432,-0.9287963672,0.0,-0.1583462793,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Au-Sr,6.0,ABC_hP6_194_c_d_a:As-Au-Sr +mp-863258,Sr2AsAu,-3.7944238725,-0.9664270446,0.0061506279,0.0061506279,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Au-Sr,4.0,ABC2_cF16_225_a_b_c:As-Au-Sr +mp-981393,Lu2HgAu,-3.832112355,-0.6772465037000001,0.01091593,0.01091593,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Lu,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Lu +mp-2263,ScIr2,-8.7640145667,-0.7609020783,0.0059821417,0.0059821417,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Sc,6.0,A2B_cF24_227_c_b:Ir-Sc +mp-862336,Sc2IrPd,-7.6709739925,-1.0001604425,0.0,-0.0170420925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Sc +mp-1200708,Sc44Ir7,-7.0488218497,-0.372396754,0.0,-0.0089616788,GGA,F-43m,A7B44_cF408_216_2ef_4efg5h:Ir-Sc,102.0,A7B44_cF408_216_2ef_4efg5h:Ir-Sc +mp-12304,Sc11Ir4,-7.695998181,-0.6952717227,0.0,-0.0539767202,GGA,Fm-3m,A4B11_cF120_225_abd_e2f:Ir-Sc,30.0,A4B11_cF120_225_abd_e2f:Ir-Sc +mp-1190979,Sc2Ir,-7.9322405829,-0.7644497862,0.0345917135,0.0345917135,GGA,Fd-3m,AB2_cF96_227_e_cf:Ir-Sc,24.0,AB2_cF96_227_e_cf:Ir-Sc +mp-1201561,Sc57Ir13,-7.2896125269,-0.4917499079,0.0015502434,0.0015502434,GGA,Pm-3,A13B57_cP140_200_abjk_efh2j2k2l:Ir-Sc,140.0,A13B57_cP140_200_abjk_efh2j2k2l:Ir-Sc +mp-1129,ScIr,-8.643917585,-1.0584659425,0.0,-0.2957900102,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Sc,2.0,AB_cP2_221_a_b:Ir-Sc +mp-12593,ScIr3,-8.833036270000001,-0.6210933587,0.0,-0.0504168,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-Sc,4.0,A3B_cP4_221_c_a:Ir-Sc +mp-1209069,Sc4Ir,-6.702197184,0.131464936,0.6604071294,0.6604071294,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Sc,10.0,AB4_cF40_227_a_e:Ir-Sc +mp-1212213,Ho5BiPt2,-5.7937956581000005,-0.9319456431,0.0,-0.0011061994,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Ho-Pt,16.0,AB5C2_tI32_140_a_cl_h:Bi-Ho-Pt +mp-30455,HoBiPt,-5.87737498,-1.0460312067,0.0,-0.1800257738,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ho-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Ho-Pt +mp-976263,Li3Nb,-3.2530696625,0.7039487475,0.7039487475,0.7039487475,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Nb,4.0,A3B_tI8_139_ad_b:Li-Nb +mp-1185216,Li3Nb,-3.27487635,0.68214206,0.68214206,0.68214206,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Nb,8.0,A3B_hP8_194_h_c:Li-Nb +mp-1185184,Li3Nb,-3.2579228975,0.6990955125,0.6990955125,0.6990955125,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Nb,4.0,A3B_cF16_225_ac_b:Li-Nb +mp-864631,LiNbRh2,-7.1269561325,-0.4422452208,0.0,-0.087733769,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Nb-Rh,4.0,ABC2_cF16_225_a_b_c:Li-Nb-Rh +mp-865284,Tm2CdOs,-5.5409276725000005,-0.2654456633,0.0636745723,0.0636745723,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Cd-Os-Tm +mp-1183653,Cd3Os,-3.01517135,0.4838378275,0.4838378275,0.4838378275,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cd-Os,8.0,A3B_hP8_194_h_c:Cd-Os +mp-31383,Hf6CoBi2,-8.5426684578,-0.2612873206,0.0,-0.0760013434,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Hf,9.0,A2BC6_hP9_189_c_b_fg:Bi-Co-Hf +mp-21232,TmInRh,-5.6178439811,-0.75390164,0.0,-0.0270770448,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Rh-Tm,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Rh-Tm, expected Tm3In3Rh5 to be TmInRh" +mp-1206161,TmIn5Rh,-4.0271635714,-0.370226151,0.0,-0.0077511422,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Rh-Tm,7.0,A5BC_tP7_123_ci_b_a:In-Rh-Tm +mp-865211,TmInRh2,-6.28846755,-0.7994338267000001,0.0,-0.102090565,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:In-Rh-Tm +mp-582278,Tm4InRh,-5.2446384675,-0.5747495853,0.0,-0.0588505556,GGA,F-43m,ABC4_cF96_216_e_e_efg:In-Rh-Tm,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_3e3f4g:In-Rh-Tm, expected Tm27(InRh)2 to be Tm4InRh" +mp-567795,Tm10In20Rh9,-4.8473285688,-0.5891029365,0.0,-0.0134912429,GGA,P4/nmm,A20B9C10_tP78_129_gh2ij_aij_2cij:In-Rh-Tm,78.0,"Invalid WP multiplicities - A20B9C10_tP78_129_5g7h13i8j_2a6i4j_4c5i6j:In-Rh-Tm, expected Tm8In22Rh7 to be Tm10In20Rh9" +mp-867114,TaBeRu2,-8.9104054325,-0.3739065387,0.0,-0.0775212587,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Be-Ru-Ta +mp-1201202,Cd3As2,-2.4896044576,-0.0722232396,0.0202905863,-0.0141915636,GGA,P4_2/nbc,A2B3_tP160_133_fghi2k_6k:As-Cd,160.0,A2B3_tP160_133_fghi2k_6k:As-Cd +mp-1372,Cd3As2,-2.507890325,-0.090509107,0.0020047189,-0.032477431,GGA,P4_2/nmc,A2B3_tP40_137_cdf_3g:As-Cd,40.0,A2B3_tP40_137_cdf_3g:As-Cd +mp-570634,Cd3As2,-2.5098950439000003,-0.0925138259,0.0,-0.0344821499,GGA,I4_1/acd,A2B3_tI160_142_deg_3g:As-Cd,80.0,A2B3_tI160_142_deg_3g:As-Cd +mp-1199496,Cd3As2,-2.4518456952,-0.0344644773,0.0580493486,0.0235671987,GGA,I4_1/acd,A2B3_tI160_142_abcef_3g:As-Cd,80.0,A2B3_tI160_142_abcef_3g:As-Cd +mp-10762,Cd3As2,-2.348859925,0.068521293,0.1610351189,0.126552969,GGA,Pn-3m,A2B3_cP10_224_b_d:As-Cd,10.0,A2B3_cP10_224_b_d:As-Cd +mp-7373,CdAs,-2.8635436775,-0.072539595,0.015634253,0.015634253,GGA,Pbca,AB_oP16_61_c_c:As-Cd,16.0,AB_oP16_61_c_c:As-Cd +mp-1070314,Eu(CdAs)2,-4.912222604,-0.6280189780000001,0.0,-0.0687761705,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Cd-Eu,5.0,A2B2C_hP5_164_d_d_a:As-Cd-Eu +mp-471,CdAs2,-3.4946494083,-0.0809405517,0.0,-0.0295439817,GGA,I4_122,A2B_tI12_98_f_a:As-Cd,6.0,A2B_tI12_98_f_a:As-Cd +mp-1183587,Cd3As,-1.744016485,0.1129304363,0.1707515774,0.1707515774,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Cd,4.0,AB3_tI8_139_a_bd:As-Cd +mp-1104962,Eu2Cd2As3,-5.9568974064,-0.7658776443,0.0155465683,0.0155465683,GGA,C2/m,A3B2C2_mC28_12_3i_2i_2i:As-Cd-Eu,14.0,A3B2C2_mC28_12_3i_2i_2i:As-Cd-Eu +mp-1183659,CdAs3,-3.3473965112,0.3776647325,0.4383701462,0.4383701462,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Cd,8.0,A3B_hP8_194_h_c:As-Cd +mp-1207425,Zr6Be15Ni8,-5.6846028552,-0.3874135381,0.0,-0.0242924113,GGA,Fm-3m,A15B8C6_cF116_225_adf_f_e:Be-Ni-Zr,29.0,A15B8C6_cF116_225_adf_f_e:Be-Ni-Zr +mp-569347,Nd5Sn4,-5.1841085517,-0.7531058203000001,0.0,-0.0155355648,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Nd-Sn,36.0,"Invalid WP multiplicities - A5B4_oP36_62_3c12d_8c5d:Nd-Sn, expected Nd3Sn2 to be Nd5Sn4" +mp-1220072,NdSnAu,-4.6019032033,-0.5847027742,0.2493264317,0.1314008903,GGA,P-3m1,ABC_hP6_164_d_c_d:Au-Nd-Sn,6.0,ABC_hP6_164_d_c_d:Au-Nd-Sn +mp-5646,NdSnAu,-4.851229635,-0.8340292058000001,0.0,-0.1179255414,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Nd-Sn,6.0,ABC_hP6_186_b_a_b:Au-Nd-Sn +mp-1077772,NdSnAu,-4.7970106467,-0.7798102175,0.0542189883,-0.063706553,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Nd-Sn,6.0,ABC_hP6_194_c_a_d:Au-Nd-Sn +mp-864668,NdSnAu2,-4.5250448825,-0.6936740606,0.0,-0.0104351913,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Nd-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Nd-Sn +mp-1202367,Nd11Sn10,-5.1666858829,-0.7597649158,0.0,-0.0175228658,GGA,I4/mmm,A11B10_tI84_139_eh2n_dehim:Nd-Sn,42.0,A11B10_tI84_139_eh2n_dehim:Nd-Sn +mp-30290,Nd2Sn3,-5.012875432,-0.6998733460000001,0.0,-0.018791994,GGA,P-1,A2B3_aP20_2_4i_6i:Nd-Sn,20.0,A2B3_aP20_2_4i_6i:Nd-Sn +mp-1192602,Nd3Sn5Au6,-4.4661728525,-0.6093447402000001,0.0,-0.0010553068,GGA,Pmmn,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Nd-Sn,28.0,A6B3C5_oP28_59_2b2e_ae_a2e:Au-Nd-Sn +mp-1209854,Nd2Sn5,-4.7627676886,-0.5364599543,0.0307247986,0.0307247986,GGA,Cmmm,A2B5_oC28_65_2g_acg3h:Nd-Sn,14.0,A2B5_oC28_65_2g_acg3h:Nd-Sn +mp-510503,Nd5Sn3,-5.1727010269,-0.6890194359,0.0,-0.0535864001,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Nd-Sn,16.0,A5B3_hP16_193_dg_g:Nd-Sn +mp-1206318,Nd3Sn7,-4.83104935,-0.5939048218,0.0,-0.010523022,GGA,Cmmm,A3B7_oC20_65_ag_cg2h:Nd-Sn,10.0,A3B7_oC20_65_ag_cg2h:Nd-Sn +mp-1977,NdSn3,-4.69960033,-0.5003845806,0.0,-0.0054638958,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Sn,4.0,AB3_cP4_221_a_c:Nd-Sn +mp-12701,NdSn2,-4.90114366,-0.6387132792,0.0,-0.009485616,GGA,Cmmm,AB2_oC12_65_g_ach:Nd-Sn,6.0,AB2_oC12_65_g_ach:Nd-Sn +mp-867926,LiInPd2,-4.34894508,-0.5938525258,0.0,-0.0987985204,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Pd,4.0,ABC2_cF16_225_a_b_c:In-Li-Pd +mp-20801,LiIn2Pd,-3.5967200025,-0.4486769683,0.0,-0.0265407179,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Pd,4.0,A2BC_cF16_225_c_a_b:In-Li-Pd +mp-21029,Li2InPd,-3.42958718,-0.4922343617,0.0,-0.0676561832,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-Li-Pd,4.0,AB2C_cF16_216_a_bc_d:In-Li-Pd +mp-1228945,AlCrGe,-6.0792248967,-0.072007845,0.0235504094,0.0235504094,GGA,F222,ABC_oF24_22_e_ac_j:Al-Cr-Ge,6.0,ABC_oF24_22_e_ac_j:Al-Cr-Ge +mp-981368,Zn2PdPt,-4.004294035,-0.5616684475,0.0091137175,0.0091137175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Pt-Zn,4.0,ABC2_cF16_225_a_b_c:Pd-Pt-Zn +mp-973769,Hf6Al16Os7,-7.3678518069,-0.5311649286,0.0128532266,0.0128532266,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Os,29.0,A16B6C7_cF116_225_2f_e_ad:Al-Hf-Os +mp-21407,EuAl9Co2,-5.2576987708,-0.4090471158,0.0,-0.020224914,GGA,P6/mmm,A9B2C_hP12_191_fm_c_a:Al-Co-Eu,12.0,"Invalid WP multiplicities - A9B2C_hP12_191_f2m_c_a:Al-Co-Eu, expected EuAl15Co2 to be EuAl9Co2" +mp-606377,Ce2Zn4Ru,-4.1210145593,-0.3810780893,0.0,-0.076669274,GGA,P4/nmm,A2BC4_tP14_129_ac_b_j:Ce-Ru-Zn,14.0,"Invalid WP multiplicities - A2BC4_tP14_129_2a2c_b_j:Ce-Ru-Zn, expected Ce4Zn4Ru to be Ce2Zn4Ru" +mp-1187727,YbEuZn2,-3.888653995,-0.30962967,0.0,-0.00975177,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Yb-Zn,,ABC2_cF16_225_a_b_c:Eu-Yb-Zn +mp-1102897,EuZnPd,-6.2119228317,-0.646380425,0.0,-0.1034047022,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Pd-Zn,12.0,ABC_oP12_62_c_c_c:Eu-Pd-Zn +mp-979012,Tm2AlZn,-3.86823804,-0.3789904683,0.0038099369,0.0038099369,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Tm-Zn +mp-1077423,TmAlZn,-3.6047482983,-0.4443633439,0.0002827808,0.0002827808,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Tm-Zn,6.0,ABC_hP6_194_c_a_d:Al-Tm-Zn +mp-1072085,CeSi5,-5.6981839333,-0.1882373825,0.1173934725,0.1173934725,GGA,Immm,AB5_oI12_71_a_bm:Ce-Si,6.0,AB5_oI12_71_a_bm:Ce-Si +mp-1898,CeSi2,-6.2058367817,-0.61126171,0.0,-0.1588444296,GGA,I4_1/amd,AB2_tI12_141_a_e:Ce-Si,6.0,AB2_tI12_141_a_e:Ce-Si +mp-1079241,Ce2Si7,-5.8496080589,-0.3114520011,0.0960558056,0.0960558056,GGA,Cmmm,A2B7_oC18_65_h_ajp:Ce-Si,9.0,A2B7_oC18_65_h_ajp:Ce-Si +mp-570175,Ce5Si3,-6.2724220506,-0.5297470675,0.0,-0.0192735953,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Ce-Si,16.0,"Invalid WP multiplicities - A5B3_tI32_140_2c3l_ah:Ce-Si, expected Ce14Si3 to be Ce5Si3" +mp-1106145,Ce5Si3,-6.2044573775,-0.4617823944,0.0679646731,0.0486910778,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Ce-Si,16.0,A5B3_hP16_193_dg_g:Ce-Si +mp-1205723,Ce2ScSi2,-6.428415411,-0.618558716,0.0140223547,0.0140223547,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-Sc-Si,10.0,A2BC2_tP10_127_h_a_g:Ce-Sc-Si +mp-1196829,Ce5Si4,-6.2814159464,-0.5740028469,0.0063398004,0.0063398004,GGA,P4_12_12,A5B4_tP36_92_a2b_2b:Ce-Si,36.0,A5B4_tP36_92_a2b_2b:Ce-Si +mp-10087,CeScSi,-6.41301552,-0.5160567567000001,0.0677188219,0.0677188219,GGA,I4/mmm,ABC_tI12_139_e_c_e:Ce-Sc-Si,6.0,ABC_tI12_139_e_c_e:Ce-Sc-Si +mp-21115,CeSi,-6.3000227037,-0.6208191112,0.0,-0.0375015485,GGA,Pnma,AB_oP8_62_c_c:Ce-Si,8.0,AB_oP8_62_c_c:Ce-Si +mp-505512,Ce2Sc3Si4,-6.580677295,-0.7401375456,0.0,-0.04030255,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Ce-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Ce-Sc-Si +mp-1226801,Ce2Si3,-6.165422928,-0.536996448,0.0780882225,0.0780882225,GGA,Imm2,A2B3_oI10_44_ab_2ab:Ce-Si,5.0,A2B3_oI10_44_ab_2ab:Ce-Si +mp-1079007,Ce3Si2,-6.274485742,-0.5445050370000001,0.0034564392,0.0034564392,GGA,P4/mbm,A3B2_tP10_127_ah_g:Ce-Si,10.0,A3B2_tP10_127_ah_g:Ce-Si +mp-1187960,ZnOs3,-8.3353547962,0.4001066787,0.4001066787,0.4001066787,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Zn,8.0,A3B_hP8_194_h_c:Os-Zn +mp-1187910,ZnOs,-6.0164913,0.22706422,0.22706422,0.22706422,GGA,P-6m2,AB_hP2_187_a_d:Os-Zn,2.0,AB_hP2_187_a_d:Os-Zn +mp-971960,Zn3Os,-3.6430569875,0.1085925775,0.1085925775,0.1085925775,GGA,I4/mmm,AB3_tI8_139_a_bd:Os-Zn,4.0,AB3_tI8_139_a_bd:Os-Zn +mp-1097102,Ti2ZnOs,-4.2316424,2.8378813683,3.2878773525,3.2878773525,GGA,Immm,AB2C_oI8_71_a_e_b:Os-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Os-Ti-Zn +mp-1216634,TiNb,-8.96354047,0.0348580583,0.0348580583,0.0348580583,GGA,Cmmm,AB_oC4_65_a_c:Nb-Ti,2.0,AB_oC4_65_a_c:Nb-Ti +mp-1188631,Ti(NbSe2)3,-7.1772904555,-1.2598028552,0.0,-0.0376098283,GGA,P6_322,A3B6C_hP20_182_af_i_c:Nb-Se-Ti,20.0,A3B6C_hP20_182_af_i_c:Nb-Se-Ti +mp-1025291,Ti(NbSe2)2,-7.2307026214,-1.2190243347,0.0315352829,0.0315352829,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Nb-Se-Ti,7.0,A2B4C_mC14_12_i_2i_a:Nb-Se-Ti +mp-1217091,Ti3Nb,-8.3915215675,0.055423705,0.055423705,0.055423705,GGA,Amm2,AB3_oC8_38_a_bc:Nb-Ti,4.0,AB3_oC8_38_a_bc:Nb-Ti +mp-981232,Ti3Nb,-8.365009075,0.0819361975,0.0819361975,0.0819361975,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Ti,4.0,AB3_tI8_139_a_bd:Nb-Ti +mp-1187514,Ti3Nb,-8.369091225,0.0778540475,0.0778540475,0.0778540475,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Ti,8.0,AB3_hP8_194_c_h:Nb-Ti +mp-980945,Ti3Nb,-8.3624948875,0.084450385,0.084450385,0.084450385,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Ti,4.0,AB3_cP4_221_a_c:Nb-Ti +mp-1183072,Ac2TlCd,-3.20259437,-0.3206236396,0.0,-0.1762844431,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cd-Tl,4.0,A2BC_cF16_225_c_a_b:Ac-Cd-Tl +mp-1072023,CrPb2,-5.1855284383,0.5072520983000001,0.5072520983000001,0.5072520983000001,GGA,C2/m,AB2_mC12_12_i_2i:Cr-Pb,6.0,AB2_mC12_12_i_2i:Cr-Pb +mp-1188288,La5CrPb3,-5.3620426078,-0.309706585,0.1811030972,0.1811030972,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cr-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cr-La-Pb +mp-1187588,Tm2AgAu,-4.3877556025,-0.62322839,0.0050377462,0.0050377462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Tm +mp-865383,Tm2OsRu,-7.648289515,-0.2849293108,0.1026670284,0.1026670284,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Os-Ru-Tm +mp-647426,Cs2NpBr6,-4.6992746344,-2.0263019227,0.0,-0.1763476625,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Np,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Np +mp-1183992,CsNp3,-8.3301010675,1.6045842865000002,1.6045842865000002,1.6045842865000002,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Np,4.0,AB3_cP4_221_a_c:Cs-Np +mp-1184047,CsNp3,-8.0174183875,1.9172669665,1.9172669665,1.9172669665,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Np,4.0,AB3_cF16_225_a_bc:Cs-Np +mp-567519,NpBr3,-6.2704996713,-1.8687835034,0.0,-1.8687835034,GGA,Cmcm,A3B_oC16_63_cf_c:Br-Np,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c2f_c:Br-Np, expected NpBr6 to be NpBr3" +mp-23166,NpBr3,-6.26133175,-1.8596155822,0.0091679213,-1.8596155822,GGA,P6_3/m,A3B_hP8_176_h_c:Br-Np,8.0,A3B_hP8_176_h_c:Br-Np +mp-680173,Bi9Rh2Br3,-4.3189360018,-0.4652143661,0.0275001383,0.0275001383,GGA,P2_1/m,A9B3C2_mP84_11_9e9f_3e3f_3f:Bi-Br-Rh,84.0,"Invalid WP multiplicities - A9B3C2_mP84_11_18e33f_5e8f_11f:Bi-Br-Rh, expected Bi84Rh22Br21 to be Bi9Rh2Br3" +mp-1186908,RhBr,-4.3121742125,0.1464938875,0.7523173717,0.7523173717,GGA,P6_3mc,AB_hP4_186_b_b:Br-Rh,4.0,AB_hP4_186_b_b:Br-Rh +mp-645514,Bi12Rh3Br2,-4.5572663856,-0.364039925,0.0,-0.0125241622,GGA,Fddd,A12B2C3_oF136_70_3h_e_ac:Bi-Br-Rh,34.0,"Invalid WP multiplicities - A12B2C3_oF136_70_18h_e_2a2c:Bi-Br-Rh, expected Bi36Rh3Br to be Bi12Rh3Br2" +mp-974371,Rh3Br,-5.3805676775,0.5309203075,0.8338320496,0.8338320496,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Rh,4.0,AB3_tI8_139_a_bd:Br-Rh +mp-29516,Bi7RhBr8,-3.7689609555,-0.8519635542,0.0393269948,0.0393269948,GGA,P2_1/c,A7B8C_mP64_14_7e_8e_e:Bi-Br-Rh,64.0,"Invalid WP multiplicities - A7B8C_mP64_14_9e_10e_e:Bi-Br-Rh, expected Bi9RhBr10 to be Bi7RhBr8" +mp-27871,RhBr3,-3.9145834412,-0.9087352262,0.0,-0.9087352262,GGA,C2/m,A3B_mC16_12_ij_g:Br-Rh,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Br-Rh, expected RhBr5 to be RhBr3" +mp-1198040,Er5Pb4,-4.6830915486,-0.4954046231,0.0,-0.0334468919,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Er-Pb,36.0,A5B4_oP36_62_c2d_2cd:Er-Pb +mp-30377,ErPbAu,-4.5092126333,-0.6577966733,0.0,-0.058014825,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Er-Pb,3.0,ABC_cF12_216_c_a_b:Au-Er-Pb +mp-1190343,Er5Pb3,-4.7597676031,-0.5127006956,0.0,-0.0947030449,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Er-Pb,16.0,A5B3_hP16_193_dg_g:Er-Pb +mp-1184178,Er3Pb,-4.6036854125,-0.2497345375,0.0920659263,0.0920659263,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-Pb,4.0,A3B_tI8_139_ad_b:Er-Pb +mp-1184189,Er3Pb,-4.5904440513,-0.2364931763,0.1053072875,0.1053072875,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Pb,8.0,A3B_hP8_194_h_c:Er-Pb +mp-388,ErPb3,-4.1651036925,-0.2386886875,0.0,-0.0157566071,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Pb,4.0,AB3_cP4_221_a_c:Er-Pb +mp-1183792,DyLuHg2,-2.90848849,-0.4747139675,0.0043472275,0.0043472275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Lu,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Lu +mp-1205385,Dy4CrGa12,-4.2883605618,-0.49910485,0.0067655812,0.0067655812,GGA,Im-3m,AB4C12_cI34_229_a_c_de:Cr-Dy-Ga,17.0,AB4C12_cI34_229_a_c_de:Cr-Dy-Ga +mp-9744,BaAsPd,-4.8497938,-0.9304687483,0.0,-0.1016878701,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Ba-Pd,3.0,ABC_hP3_187_a_d_e:As-Ba-Pd +mp-9767,BaAs2Pd,-4.9287925775,-0.8245191875000001,0.0,-0.0400183821,GGA,Cmcm,A2BC_oC16_63_2c_c_c:As-Ba-Pd,8.0,A2BC_oC16_63_2c_c_c:As-Ba-Pd +mp-8237,Ba(AsPd)2,-5.08265925,-0.7632641760000001,0.020005011,-0.0401676222,GGA,P4/mmm,A2BC2_tP5_123_h_a_e:As-Ba-Pd,5.0,A2BC2_tP5_123_h_a_e:As-Ba-Pd +mp-6962,Ba(AsPd)2,-5.075789428,-0.7563943540000001,0.026874833,-0.0332978002,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Pd,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Pd +mp-571350,Ba(AsPd)2,-5.102664261,-0.783269187,0.0,-0.0601726332,GGA,I4/mmm,A2BC2_tI20_139_de_e_ce:As-Ba-Pd,10.0,"Invalid WP multiplicities - A2BC2_tI20_139_2de_e_2c2e:As-Ba-Pd, expected BaAs3Pd4 to be Ba(AsPd)2" +mp-973433,LuScRu2,-7.8504038325,-0.4998476562,0.0061046025,0.0061046025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Sc +mp-1185479,Lu3Sc,-4.9651542275,0.0086759388,0.0086759388,0.0086759388,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Sc,8.0,A3B_hP8_194_h_c:Lu-Sc +mp-1093605,Ta2OsRu,-6.83856861,4.2157626975,4.5133248531,4.5133248531,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Ru-Ta,4.0,ABC2_oI8_71_a_b_e:Os-Ru-Ta +mp-1186759,Ta2OsRu,-11.32541687,-0.2710855625,0.0264765931,0.0264765931,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Os-Ru-Ta +mp-1103724,Bi2Pt3Se2,-5.155704285,-0.4576755457,0.013196085,0.013196085,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Bi-Pt-Se,14.0,A2B3C2_cI28_199_a_b_a:Bi-Pt-Se +mp-680214,Bi8Se7,-4.2170890424,-0.5374028169,0.0055687967,0.0055687967,GGA,P-3m1,A8B7_hP45_164_4c8d_a3c7d:Bi-Se,45.0,"Invalid WP multiplicities - A8B7_hP45_164_8c14d_a5c14d:Bi-Se, expected Bi44Se39 to be Bi8Se7" +mp-29767,Pt5Se4,-5.4377883661,-0.5111980872,0.0,-0.0432368194,GGA,P2_1/c,A5B4_mP18_14_a2e_2e:Pt-Se,18.0,A5B4_mP18_14_a2e_2e:Pt-Se +mp-1102082,Bi2Se,-3.9805470867,-0.2549171741,0.1343922478,0.1343922478,GGA,P2_1/c,A2B_mP12_14_2e_e:Bi-Se,12.0,A2B_mP12_14_2e_e:Bi-Se +mp-1182077,Bi2Se,-3.9859889217,-0.2603590091,0.1289504128,0.1289504128,GGA,Cmce,A2B_oC24_64_2f_f:Bi-Se,12.0,A2B_oC24_64_2f_f:Bi-Se +mp-1214190,Bi2Se,-4.0672886975,-0.3416587849,0.0476506369,0.0476506369,GGA,P-3m1,A2B_hP12_164_c3d_cd:Bi-Se,12.0,A2B_hP12_164_c3d_cd:Bi-Se +mp-1182583,Bi2Se3,-3.634700268,-0.0009577294,0.6882820620000001,0.6223906493,GGA,C2/m,A2B3_mC10_12_i_ai:Bi-Se,5.0,A2B3_mC10_12_i_ai:Bi-Se +mp-23164,Bi2Se3,-4.2950760755,-0.6613335369000001,0.0279062545,-0.0379851582,GGA,Pnma,A2B3_oP20_62_2c_3c:Bi-Se,20.0,A2B3_oP20_62_2c_3c:Bi-Se +mp-1198150,Bi2Se3,-4.1748768502,-0.5411343117,0.1481054798,0.082214067,GGA,P4_2/nmc,A2B3_tP40_137_cdf_3g:Bi-Se,40.0,A2B3_tP40_137_cdf_3g:Bi-Se +mp-541837,Bi2Se3,-4.32298233,-0.6892397914,0.0,-0.0658914127,GGA,R-3m,A2B3_hR15_166_c_ac:Bi-Se,5.0,A2B3_hR15_166_c_ac:Bi-Se +mp-1115,PtSe2,-5.05626066,-0.7019419016,0.0,-0.3952230493,GGA,P-3m1,AB2_hP3_164_a_d:Pt-Se,3.0,AB2_hP3_164_a_d:Pt-Se +mp-1190284,Bi8Se9,-4.2709235153,-0.6128578483,0.0,-0.0013176888,GGA,R-3m,A8B9_hR51_166_4c_a4c:Bi-Se,17.0,A8B9_hR51_166_4c_a4c:Bi-Se +mp-1103607,BiPtSe,-4.9865776533,-0.5173996774,0.0,-0.0110406469,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Pt-Se,12.0,ABC_cP12_198_a_a_a:Bi-Pt-Se +mp-27607,Bi4Se3,-4.1933536786,-0.5005406853000001,0.0,-0.0044176652,GGA,R-3m,A4B3_hR21_166_2c_ac:Bi-Se,7.0,A4B3_hR21_166_2c_ac:Bi-Se +mp-542615,Bi3Se4,-4.2699769971,-0.6263893828,0.0319339079,0.0319339079,GGA,R-3m,A3B4_hR21_166_ac_2c:Bi-Se,7.0,A3B4_hR21_166_ac_2c:Bi-Se +mp-1063755,BiSe,-3.9782629275,-0.3100626237,0.2700360521,0.2700360521,GGA,C2/m,AB_mC8_12_i_i:Bi-Se,4.0,AB_mC8_12_i_i:Bi-Se +mp-1063764,BiSe,-3.9803501525,-0.3121498487,0.2679488271,0.2679488271,GGA,C2/m,AB_mC8_12_i_i:Bi-Se,4.0,AB_tI8_139_e_e:Bi-Se +mp-1078607,BiSe,-4.0825412137,-0.4143409099,0.1657577658,0.1657577658,GGA,P2_1/c,AB_mP8_14_e_e:Bi-Se,8.0,AB_mP8_14_e_e:Bi-Se +mp-1182022,BiSe,-4.1217411213,-0.4535408174,0.1265578583,0.1265578583,GGA,P2_1/c,AB_mP8_14_e_e:Bi-Se,8.0,AB_mP8_14_e_e:Bi-Se +mp-570286,BiSe,-3.983775095,-0.3155747912,0.2645238846,0.2645238846,GGA,I4/mmm,AB_tI8_139_e_e:Bi-Se,4.0,AB_tI8_139_e_e:Bi-Se +mp-27902,BiSe,-4.2443680808,-0.576167777,0.0039308988,0.0039308988,GGA,P-3m1,AB_hP12_164_c2d_c2d:Bi-Se,12.0,AB_hP12_164_c2d_c2d:Bi-Se +mp-568844,BiSe,-4.09964505,-0.4314447462,0.1486539296,0.1486539296,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Se,2.0,AB_cF8_225_a_b:Bi-Se +mp-1095302,BiSe2,-4.2270233975,-0.6162527024000001,0.0,-0.0418862096,GGA,C2/m,AB2_mC24_12_2i_4i:Bi-Se,12.0,AB2_mC24_12_2i_4i:Bi-Se +mp-1096287,Tc2GeMo,-5.558269775,3.4892191887,3.5690455787,3.5690455787,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Mo-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Mo-Tc +mp-1223287,La5Er5Ge6,-5.4263832975,-0.7228335034000001,0.0261131869,0.0261131869,GGA,Amm2,A5B6C5_oC32_38_af_abde_bde:Er-Ge-La,16.0,A5B6C5_oC32_38_af_abde_bde:Er-Ge-La +mp-1222989,LaEr4Ge3,-5.3891587231,-0.7546629844,0.02638999,0.02638999,GGA,P-31m,A4B3C_hP16_162_ck_k_d:Er-Ge-La,16.0,A4B3C_hP16_162_ck_k_d:Er-Ge-La +mp-1223328,La2(ErGe)3,-5.3877069956,-0.70717522,0.052473565,0.052473565,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Er-Ge-La,16.0,A3B3C2_hP16_193_g_g_d:Er-Ge-La +mp-642739,CsGeBr3,-3.53446659,-1.4989635466,0.00062439,-0.090282754,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Cs-Ge,5.0,A3BC_mC10_8_ab_a_a:Br-Cs-Ge +mp-1068340,CsGeBr3,-3.53509098,-1.4995879366,0.0,-0.090907144,GGA,R3m,A3BC_hR15_160_b_a_a:Br-Cs-Ge,5.0,A3BC_hR15_160_b_a_a:Br-Cs-Ge +mp-570223,CsGeBr3,-3.522575448,-1.4870724046,0.012515532,-0.078391612,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Ge,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Ge +mp-1183903,Cs3Ge,-1.6068079462,0.2205007966,0.3263617073,0.3263617073,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-Ge,8.0,A3B_hP8_194_h_c:Cs-Ge +mp-1181521,CsGe,-2.8310329025,-0.071817789,0.1399040325,-0.071817789,GGA,Cmcm,AB_oC8_63_c_c:Cs-Ge,4.0,AB_oC8_63_c_c:Cs-Ge +mp-866501,CsGe,-2.9511772234,-0.1919621099,0.0197597116,-0.1919621099,GGA,I4_1/acd,AB_tI64_142_ef_g:Cs-Ge,32.0,AB_tI64_142_ef_g:Cs-Ge +mp-1273,CsGe,-2.970936935,-0.2117218215,0.0,-0.2117218215,GGA,P-43n,AB_cP64_218_ei_ei:Cs-Ge,64.0,AB_cP64_218_ei_ei:Cs-Ge +mp-638749,Te3(PdBr)4,-4.0335223023,-0.7279260986,0.0,-0.0421949481,GGA,P-1,A4B4C3_aP22_2_4i_4i_3i:Br-Pd-Te,22.0,"Invalid WP multiplicities - A4B4C3_aP22_2_6i_7i_4i:Br-Pd-Te, expected Te4Pd7Br6 to be Te3(PdBr)4" +mp-569830,Te2PdBr6,-3.1005215682,-0.7911145041000001,0.0422856809,0.0422856809,GGA,P2_1/c,A6BC2_mP72_14_12e_2e_4e:Br-Pd-Te,72.0,"Invalid WP multiplicities - A6BC2_mP72_14_46e_6e_11e:Br-Pd-Te, expected Te11(Pd3Br23)2 to be Te2PdBr6" +mp-1195981,LuGe2Ru,-6.4226930825,-0.66234089,0.0,-0.0498869444,GGA,Pbam,A2BC_oP48_55_2g2hi_gi_ei:Ge-Lu-Ru,48.0,A2BC_oP48_55_2g2hi_gi_ei:Ge-Lu-Ru +mp-1222645,Lu4Ge8Ru,-5.4820651246,-0.5326476277000001,0.0708448781,0.0708448781,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Ru,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Ru +mp-1203006,Lu3Ge13Ru4,-5.95079219,-0.4128009982,0.0286979534,0.0286979534,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Lu-Ru,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Lu-Ru +mp-505680,Lu4Ge6Ru7,-7.1517204812,-0.6374388935,0.0,-0.0476904125,GGA,Im-3m,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Ru,17.0,A6B4C7_cI34_229_e_c_ad:Ge-Lu-Ru +mp-22051,LuGeRu,-6.876949725,-0.7374894200000001,0.0,-0.0308874695,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Lu-Ru,12.0,ABC_oP12_62_c_c_c:Ge-Lu-Ru +mp-1188368,Lu3Ge3Ru2,-6.5292214769,-0.7816289512,0.0,-0.0301503734,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_f:Ge-Lu-Ru,16.0,A3B3C2_oC32_63_cf_cf_f:Ge-Lu-Ru +mp-866295,DyLuMg2,-3.143314365,-0.06124,0.00167399,0.00167399,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Lu-Mg,4.0,ABC2_cF16_225_a_b_c:Dy-Lu-Mg +mp-1095951,BaInHg2,-0.5595500325,0.7599548175,1.1861591958,1.1861591958,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-In,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-In +mp-1103999,Ba3InHg10,-1.2020082929,-0.3773359929,0.0068395607,0.0068395607,GGA,Immm,A3B10C_oI28_71_ag_f2n_b:Ba-Hg-In,14.0,A3B10C_oI28_71_ag_f2n_b:Ba-Hg-In +mp-1097309,Ba2InHg,-0.764536745,0.9587917488,1.4353752237,1.4353752237,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-In,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-In +mp-1183329,Ba2InHg,-2.1901805925,-0.4668520988,0.0097313762,0.0097313762,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Hg-In,4.0,A2BC_cF16_225_c_a_b:Ba-Hg-In +mp-1187019,Se3Br,-3.23863039,-0.2284396993,0.0019643253,0.0019643253,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Se,4.0,AB3_tI8_139_a_bd:Br-Se +mp-861891,SeBr2,-2.647604725,-0.4469486791,0.1674620532,0.1674620532,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Se,6.0,A2B_tP6_136_f_a:Br-Se +mp-29496,Pd(SeBr3)2,-3.0322617944,-0.6444979339,0.0767061558,0.0767061558,GGA,P-1,A6BC2_aP9_2_3i_a_i:Br-Pd-Se,9.0,"Invalid WP multiplicities - A6BC2_aP9_2_4i_a_i:Br-Pd-Se, expected Pd(SeBr4)2 to be Pd(SeBr3)2" +mp-540943,SeBr,-2.9237507994,-0.3992808955,0.0615271537,0.0615271537,GGA,P2_1/c,AB_mP16_14_2e_2e:Br-Se,16.0,AB_mP16_14_2e_2e:Br-Se +mp-570589,SeBr,-2.9203603575,-0.3958904537,0.0649175955,0.0649175955,GGA,Aea2,AB_oC16_41_b_b:Br-Se,8.0,AB_oC16_41_b_b:Br-Se +mp-651332,SeBr4,-2.6788978383,-0.7372928787,0.0,-0.4691236713,GGA,P31c,A4B_hP80_159_ab10c_ab2c:Br-Se,80.0,"Invalid WP multiplicities - A4B_hP80_159_2a2b54c_2ab8c:Br-Se, expected Se27Br166 to be SeBr4" +mp-972874,SeBr3,-2.2152053575,-0.1764562406,0.5147558332000001,0.5147558332000001,GGA,I4/mmm,A3B_tI8_139_ad_b:Br-Se,4.0,A3B_tI8_139_ad_b:Br-Se +mp-568146,Pd(Se3Br)2,-3.84261314,-0.5913456582000001,0.0034874999999999,-0.1877117111,GGA,P-1,A2BC6_aP9_2_i_a_3i:Br-Pd-Se,9.0,"Invalid WP multiplicities - A2BC6_aP9_2_i_a_4i:Br-Pd-Se, expected Pd(Se4Br)2 to be Pd(Se3Br)2" +mp-2422143,Pd(Se3Br)2,-3.84610064,-0.5948331582,0.0,-0.1911992111,GGA,P-1,A2BC6_aP9_2_i_a_3i:Br-Pd-Se,9.0,"Invalid WP multiplicities - A2BC6_aP9_2_i_a_4i:Br-Pd-Se, expected Pd(Se4Br)2 to be Pd(Se3Br)2" +mp-975997,NaLi2Pb,-2.45974742,-0.2464928958,0.0201134297,0.0201134297,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Na-Pb,4.0,A2BC_cF16_225_c_a_b:Li-Na-Pb +mp-1186151,NaLi3,-1.70990601,0.0524174634,0.0524174634,0.0524174634,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Na,4.0,A3B_tI8_139_ad_b:Li-Na +mp-973316,NaLi3,-1.7128028888,0.0495205846,0.0495205846,0.0495205846,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Na,8.0,A3B_hP8_194_h_c:Li-Na +mp-1095988,Sr2AgHg,-0.7886856950000001,0.8401201238,1.2645653847,1.2645653847,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Hg-Sr,4.0,ABC2_oI8_71_a_b_e:Ag-Hg-Sr +mp-1206893,Sc6Te2Ir,-6.7335015889,-0.8312948559000001,0.0907016115,0.0907016115,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Ir-Sc-Te,9.0,AB6C2_hP9_189_a_fg_d:Ir-Sc-Te +mp-865577,Li2CdAu,-2.42896791,-0.4253135367,0.0,-0.0287533913,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cd-Li,4.0,ABC2_cF16_225_a_b_c:Au-Cd-Li +mp-867160,LiCd2Au,-2.095184,-0.3380379033,0.0,-0.0587605125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Cd-Li,4.0,AB2C_cF16_225_a_c_b:Au-Cd-Li +mp-867877,LiCdAu2,-2.71626048,-0.3713663233,0.0,-0.0126812638,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Li,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Li +mp-1192563,Lu(Al5Os)2,-5.39979298,-0.4435280815,0.0,-0.0298345077,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Lu-Os,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Lu-Os +mp-865463,Lu2AlOs,-6.3715604,-0.367849325,0.0462577729,0.0462577729,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Lu-Os,4.0,AB2C_cF16_225_a_c_b:Al-Lu-Os +mp-867319,Al2CoIr,-6.65227727,-0.7928013613,0.0,-0.0075742525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Co-Ir,4.0,A2BC_cF16_225_c_a_b:Al-Co-Ir +mp-1184649,Ho2ZnPd,-4.52485473,-0.62374394,0.023104005,0.023104005,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Pd-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Pd-Zn +mp-1079329,HoZnPd,-4.4356755311,-0.7616641011,0.0,-0.0660726615,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Pd-Zn,9.0,ABC_hP9_189_f_ad_g:Ho-Pd-Zn +mp-1184817,HoZnPd2,-4.803505325,-0.7530262999999999,0.0257468947,0.0257468947,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Ho-Pd-Zn +mp-978973,Sm2ZnHg,-3.1320918625,-0.3819428013,0.0,-0.0619570856,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Sm-Zn +mp-1096729,Ti2CoRh,-4.867424985,2.6984774396,3.269423535,3.269423535,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Rh-Ti +mp-541381,Pu(SiAu)2,-6.309441184,0.023806494,0.3082010787,0.3082010787,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Pu-Si +mp-974425,Re3Si,-10.527541325,0.1621835712,0.3105823825,0.3105823825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-Si,8.0,A3B_hP8_194_h_c:Re-Si +mp-1202868,Np2Re3Si5,-9.3600492097,-0.324476103,0.0,-0.0276784805,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Np-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Np-Re-Si +mp-1103459,NpRe2,-12.32745205,0.2848259671,0.2848259671,0.2848259671,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Np-Re,12.0,"Invalid WP multiplicities - AB2_oC24_63_f_a2c3g:Np-Re, expected Np2Re9 to be NpRe2" +mp-7948,ReSi,-9.2008540163,-0.2659314088,0.0308662138,0.0308662138,GGA,P2_13,AB_cP8_198_a_a:Re-Si,8.0,AB_cP8_198_a_a:Re-Si +mp-669547,Re2Si,-9.9719911358,0.1327996642,0.3306647458,0.3306647458,GGA,P2_1/c,A2B_mP24_14_4e_2e:Re-Si,24.0,"Invalid WP multiplicities - A2B_mP24_14_13e_4e:Re-Si, expected Re13Si4 to be Re2Si" +mp-1105959,Re5Si3,-9.8780935613,-0.0657698094,0.1568284075,0.1568284075,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Re-Si,16.0,A5B3_tI32_140_bk_ah:Re-Si +mp-12605,ReSi2,-7.9130260633,-0.1479716483,0.1982922446,0.1982922446,GGA,I4/mmm,AB2_tI6_139_a_e:Re-Si,3.0,AB2_tI6_139_a_e:Re-Si +mp-568595,Re4Si7,-8.2647857027,-0.28702798,0.0907144486,-0.0936233191,GGA,Cm,A4B7_mC44_8_8a_14a:Re-Si,22.0,A4B7_mC44_8_8a_14a:Re-Si +mp-1190581,Re4Si7,-8.3555001514,-0.3777424286,0.0,-0.1843377677,GGA,Cm,A4B7_mC44_8_8a_14a:Re-Si,22.0,A4B7_mC44_8_8a_14a:Re-Si +mp-1219555,Re4Si7,-8.1346812673,-0.1569235445,0.2208188841,0.0364811164,GGA,Cm,A4B7_mC22_8_4a_7a:Re-Si,11.0,A4B7_mC22_8_4a_7a:Re-Si +mp-1096323,MgSiRu2,-3.742687325,2.650913465,3.0174167946,3.0174167946,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ru-Si,4.0,AB2C_oI8_71_a_e_b:Mg-Ru-Si +mp-2233,Th2Ag,-5.95439561,-0.0676381089,0.0187523117,0.0187523117,GGA,I4/mcm,AB2_tI12_140_a_h:Ag-Th,6.0,AB2_tI12_140_a_h:Ag-Th +mp-1217282,Th4AgPd,-6.5578035333,-0.2798250644,0.0193752958,0.0193752958,GGA,I422,ABC4_tI12_97_a_b_j:Ag-Pd-Th,6.0,ABC4_tI12_97_a_b_j:Ag-Pd-Th +mp-1217575,Th14Ag51,-3.9676744274,-0.1483764017,0.0,-0.0367333967,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Th,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Th, expected Th14Ag71 to be Th14Ag51" +mp-309,ThAg2,-4.5324375933,-0.1727808411,0.0,-0.0455064932,GGA,P6/mmm,A2B_hP3_191_c_b:Ag-Th,3.0,A2B_hP3_191_c_b:Ag-Th +mp-1187413,ThAg3,-4.033083755,-0.05520219,0.1003363841,0.1003363841,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Th,8.0,A3B_hP8_194_h_c:Ag-Th +mp-1097651,Be2CuNi,-2.099585135,2.239957135,2.5267380863,2.5267380863,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cu-Ni,4.0,A2BC_oI8_71_e_a_b:Be-Cu-Ni +mp-1104237,Nb7Ni6,-8.3131023485,-0.2061827054,0.0,-0.0184069713,GGA,R-3m,A7B6_hR39_166_a3c_h:Nb-Ni,13.0,A7B6_hR39_166_a3c_h:Nb-Ni +mp-669699,Nb5Ni,-9.2421069613,0.1390033521,0.2134582179,0.2134582179,GGA,Fd-3m,A5B_cF96_227_ef_c:Nb-Ni,24.0,"Invalid WP multiplicities - A5B_cF96_227_5e5f_c:Nb-Ni, expected Nb25Ni to be Nb5Ni" +mp-999394,Nb3Ni,-8.919541785,0.101471165,0.2131534638,0.2131534638,GGA,I4/mmm,A3B_tI8_139_ad_b:Nb-Ni,4.0,A3B_tI8_139_ad_b:Nb-Ni +mp-999437,Nb3Ni,-8.912810865,0.108202085,0.2198843837,0.2198843837,GGA,Pm-3m,A3B_cP4_221_c_a:Nb-Ni,4.0,A3B_cP4_221_c_a:Nb-Ni +mp-999396,Nb3Ni,-8.9882371775,0.0327757725,0.1444580712,0.1444580712,GGA,Fm-3m,A3B_cF16_225_ac_b:Nb-Ni,4.0,A3B_cF16_225_ac_b:Nb-Ni +mp-867357,Tc3Ni,-9.3199164037,-0.104403025,0.0,-0.104403025,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Tc,8.0,AB3_hP8_194_c_h:Ni-Tc +mp-1093962,Nb2TcNi,-5.2962213375000005,3.7896250887,3.9677448746,3.9677448746,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ni-Tc,4.0,A2BC_oI8_71_e_a_b:Nb-Ni-Tc +mp-1220799,NbNi,-8.1441445719,-0.2034237119,0.0142837979,0.0142837979,GGA,R-3m,AB_hR78_166_a6c_b2h:Nb-Ni,26.0,"Invalid WP multiplicities - AB_hR78_166_a9c_b11h:Nb-Ni, expected Nb19Ni67 to be NbNi" +mp-1220343,NbNi,-7.85665293,0.08406793,0.3017754398,0.3017754398,GGA,P-6m2,AB_hP2_187_a_d:Nb-Ni,2.0,AB_hP2_187_a_d:Nb-Ni +mp-1103618,NbNi2,-7.4119047458,-0.1913786125,0.0762697166,0.0762697166,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Nb-Ni,12.0,AB2_hP12_194_f_ah:Nb-Ni +mp-1191285,NbNi2,-7.407804285,-0.1872781517,0.0803701774,0.0803701774,GGA,P6_3/mmc,AB2_hP24_194_ef_fgh:Nb-Ni,24.0,AB2_hP24_194_ef_fgh:Nb-Ni +mp-1077429,NbNi2,-7.4005328667,-0.1800067333,0.0876415958,0.0876415958,GGA,Fd-3m,AB2_cF24_227_a_d:Nb-Ni,6.0,AB2_cF24_227_a_d:Nb-Ni +mp-1217408,TcNi,-7.997043405,0.0733444075,0.1429464242,0.1429464242,GGA,P-6m2,AB_hP2_187_a_d:Ni-Tc,2.0,AB_hP2_187_a_d:Ni-Tc +mp-1105044,Nb6Ni7,-7.9853083938,-0.2107863169,0.0184459974,0.0184459974,GGA,R-3m,A6B7_hR39_166_3c_ah:Nb-Ni,13.0,A6B7_hR39_166_3c_ah:Nb-Ni +mp-1451,NbNi3,-7.1530475088,-0.2926187387,0.0,-0.1490847794,GGA,Pmmn,AB3_oP8_59_a_be:Nb-Ni,8.0,AB3_oP8_59_a_be:Nb-Ni +mp-11513,NbNi3,-7.1446382625,-0.2842094925,0.0084092463,-0.1406755331,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Ni,4.0,AB3_tI8_139_a_bd:Nb-Ni +mp-1220420,NbNi3,-6.7288605275,0.1315682425,0.4241869813,0.2751022019,GGA,P-6m2,AB3_hP4_187_a_bh:Nb-Ni,4.0,AB3_hP4_187_a_bh:Nb-Ni +mp-999188,NbNi3,-6.9907837950000005,-0.130355025,0.1622637138,0.0131789344,GGA,Pm-3m,AB3_cP4_221_a_c:Nb-Ni,4.0,AB3_cP4_221_a_c:Nb-Ni +mp-999378,NbNi3,-6.98128609,-0.12085732,0.1717614188,0.0226766394,GGA,Fm-3m,AB3_cF16_225_a_bc:Nb-Ni,4.0,AB3_cF16_225_a_bc:Nb-Ni +mp-1097316,Zr2MnTc,-5.76146546,3.3930484143,3.5814078416,3.5814078416,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Mn-Tc-Zr +mp-20732,EuAsPt,-8.09098306,-1.095231885,0.0,-0.132657544,GGA,I4_1md,ABC_tI12_109_a_a_a:As-Eu-Pt,6.0,ABC_tI12_109_a_a_a:As-Eu-Pt +mp-1225431,Eu2As3Pt,-7.65680104,-0.8963856842000001,0.0892853006,0.0892853006,GGA,P-6m2,A3B2C_hP6_187_abc_i_d:As-Eu-Pt,6.0,A3B2C_hP6_187_abc_i_d:As-Eu-Pt +mp-1213181,Eu2(AsPt)3,-5.5261639787,1.0619308681,1.9962247775,1.9962247775,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:As-Eu-Pt,8.0,A3B2C3_tP8_123_ag_g_bg:As-Eu-Pt +mp-1078722,Eu(AsPt)2,-7.143907466,-0.8004064160000001,0.037324708,0.037324708,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Eu-Pt,10.0,A2BC2_tP10_129_ac_c_bc:As-Eu-Pt +mp-1221572,MnInRh2,-6.96440838,-0.3038296895,0.026629825,-0.00775891,GGA,P4/mmm,ABC2_tP4_123_a_b_h:In-Mn-Rh,4.0,ABC2_tP4_123_a_b_h:In-Mn-Rh +mp-864968,MnInRh2,-6.991038205,-0.3304595145,0.0,-0.034388735,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mn-Rh,4.0,ABC2_cF16_225_a_b_c:In-Mn-Rh +mp-865221,Dy2IrPd,-6.7218006125,-0.913828195,0.0,-0.0428305271,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Pd,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Pd +mp-1183810,DyLuCu2,-4.5973580325,-0.2658203575,0.0,-0.0313447806,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-Lu +mp-1184299,Ga2NiRu,-5.61347913,-0.3357963137,0.0316711159,0.0316711159,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Ga-Ni-Ru +mp-1193202,Mo2Ru,-10.3029394733,0.0189614467,0.0461114928,0.0461114928,GGA,P4_2/mnm,A2B_tP30_136_fij_ai:Mo-Ru,30.0,A2B_tP30_136_fij_ai:Mo-Ru +mp-1221651,Mo3Ru2,-10.1821972927,0.0349537893,0.0675338447,0.0675338447,GGA,Cmm2,A3B2_oC60_35_2d3e2f_abd2f:Mo-Ru,30.0,"Invalid WP multiplicities - A3B2_oC60_35_2d3e4f_abd4f:Mo-Ru, expected Mo13Ru10 to be Mo3Ru2" +mp-1221386,MoRu,-10.000792245,0.05923408,0.0999591492,0.0999591492,GGA,P-6m2,AB_hP2_187_a_d:Mo-Ru,2.0,AB_hP2_187_a_d:Mo-Ru +mp-1221461,Mo4Ru,-10.412790544,0.118610052,0.1349000797,0.1349000797,GGA,Fmmm,A4B_oF20_69_2g_a:Mo-Ru,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Mo-Ru, expected Mo6Ru to be Mo4Ru" +mp-975834,MoRu3,-9.7283020362,-0.0610876037,0.0,-0.0610876037,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mo-Ru,8.0,AB3_hP8_194_c_h:Mo-Ru +mp-1093869,MgMoRu2,-4.5967539375,3.1519298725,3.2387812126,3.2387812126,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Mo-Ru,4.0,ABC2_oI8_71_a_b_e:Mg-Mo-Ru +mp-867852,Sm2NiIr,-6.5311651975,-0.5172294150000001,0.5054974354,0.5054974354,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Sm +mp-1079816,ZrAsOs,-8.7685902356,-0.6238614139,0.1376582461,0.1376582461,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Os-Zr,9.0,ABC_hP9_189_ad_g_f:As-Os-Zr +mp-1096420,Hf2NiOs,-5.89795928,3.3325112625,3.9464941725,3.9464941725,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ni-Os,4.0,A2BC_oI8_71_e_a_b:Hf-Ni-Os +mp-1025395,HoTe3,-4.3602917812,-0.8572101437,0.3681459213,0.2512379098,GGA,Cmcm,AB3_oC16_63_c_3c:Ho-Te,8.0,AB3_oC16_63_c_3c:Ho-Te +mp-1078508,HoTe3,-4.7284377025,-1.225356065,0.0,-0.1169080115,GGA,Cmcm,AB3_oC16_63_c_3c:Ho-Te,8.0,AB3_oC16_63_c_3c:Ho-Te +mp-1189209,Ho2Te3,-5.369377393,-1.650430309,0.0,-0.227481435,GGA,Fddd,A2B3_oF80_70_2e_fh:Ho-Te,20.0,A2B3_oF80_70_2e_fh:Ho-Te +mp-1207280,Ho2Te3,-2.562164522,1.156782562,2.807212871,2.579731436,GGA,P4/mmm,A2B3_tP5_123_g_ag:Ho-Te,5.0,A2B3_tP5_123_g_ag:Ho-Te +mp-1105026,Ho2Te5,-4.8212759479,-1.2667977755,0.0597664429,0.0597664429,GGA,Cmcm,A2B5_oC28_63_2c_5c:Ho-Te,14.0,A2B5_oC28_63_2c_5c:Ho-Te +mp-1079239,Ho6MnTe2,-5.4484230489,-0.6769696824,0.0,-0.0305132535,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Ho-Mn-Te,9.0,A6BC2_hP9_189_fg_a_d:Ho-Mn-Te +mp-1018732,HoTe2,-5.02662038,-1.4036134944,0.0578949283,0.0578949283,GGA,P4/nmm,AB2_tP6_129_c_ac:Ho-Te,6.0,AB2_tP6_129_c_ac:Ho-Te +mp-919,HoTe,-5.314809325,-1.4519519433,0.0,-0.0765933525,GGA,Fm-3m,AB_cF8_225_a_b:Ho-Te,2.0,AB_cF8_225_a_b:Ho-Te +mp-1187932,Yb2TlGa,-2.6018365525,-0.4843476202,0.0,-0.0003789825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Tl-Yb,,ABC2_cF16_225_a_b_c:Ga-Tl-Yb +mp-1187539,Tl3Ga,-2.43176,0.0972463656,0.0972463656,0.0972463656,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Tl,4.0,AB3_cF16_225_a_bc:Ga-Tl +mp-973969,HoTa3,-9.6593360025,0.3795994375,0.3795994375,0.3795994375,GGA,Fm-3m,AB3_cF16_225_a_bc:Ho-Ta,4.0,AB3_cF16_225_a_bc:Ho-Ta +mp-977354,HoTaOs2,-9.9681566425,-0.2444263025,0.0770146535,0.0770146535,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Ho-Os-Ta +mp-1096506,Sc2CoRh,-4.685708685,2.0986822838,2.7996036675,2.7996036675,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Rh-Sc +mp-1186944,Sc2CoRh,-7.46298311,-0.6785921412,0.0223292425,0.0223292425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Rh-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Rh-Sc +mp-1097216,CaPd2Pb,-2.7810371375000003,1.238465505,1.7975300938,1.7975300938,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Pb-Pd,4.0,ABC2_oI8_71_a_b_e:Ca-Pb-Pd +mp-1102860,CaPdPb,-4.2523916058,-0.6196820192,0.0028629542,-0.0890227425,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pb-Pd,12.0,ABC_oP12_62_c_c_c:Ca-Pb-Pd +mp-672254,CaPdPb,-4.25525456,-0.6225449733,0.0,-0.0918856967,GGA,P-62m,ABC_hP9_189_f_g_ad:Ca-Pb-Pd,9.0,ABC_hP9_189_f_g_ad:Ca-Pb-Pd +mp-1013583,Sr3Sb2,-3.356167368,-0.6908708,0.3777422554,0.3777422554,GGA,Pm-3m,A2B3_cP5_221_ab_c:Sb-Sr,5.0,A2B3_cP5_221_ab_c:Sb-Sr +mp-16475,Sr11Sb10,-3.9189757005,-1.0678118725,0.0,-0.0681827905,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Sb-Sr,42.0,A10B11_tI84_139_dehim_eh2n:Sb-Sr +mp-17739,Sr5Sb3,-3.6637205106,-1.0594116373,0.0094643062,-0.0959132084,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Sr,32.0,A3B5_oP32_62_cd_3cd:Sb-Sr +mp-2585,Sr5Sb3,-3.6731848169,-1.0688759435,0.0,-0.1053775147,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Sr,16.0,A3B5_hP16_193_g_dg:Sb-Sr +mp-8468,Sr(SbPd)2,-4.917594507,-0.8561425963,0.0,-0.1503291343,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Pd-Sb-Sr,10.0,A2B2C_tP10_129_ac_bc_c:Pd-Sb-Sr +mp-6961,Sr(SbPd)2,-4.89337681,-0.8319248993,0.024217697,-0.1261114373,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Sb-Sr,5.0,A2B2C_tI10_139_d_e_a:Pd-Sb-Sr +mp-1206196,Sr2(SbPd)3,-3.5752584312,0.3379460758,1.2029629275,1.2029629275,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pd-Sb-Sr,8.0,A3B3C2_tP8_123_ag_bg_g:Pd-Sb-Sr +mp-10636,SrSb2,-4.1123641567,-0.7965321789,0.0,-0.0341125869,GGA,P2_1/m,A2B_mP6_11_2e_e:Sb-Sr,6.0,A2B_mP6_11_2e_e:Sb-Sr +mp-16897,Sr2Sb3,-4.0681016357,-0.9149035104,0.0,-0.0234234387,GGA,P2_1/c,A3B2_mP40_14_6e_4e:Sb-Sr,40.0,A3B2_mP40_14_6e_4e:Sb-Sr +mp-15624,Sr2Sb,-3.42320855,-0.9205458344,0.0295661154,0.0295661154,GGA,I4/mmm,AB2_tI12_139_e_ce:Sb-Sr,6.0,AB2_tI12_139_e_ce:Sb-Sr +mp-1344,Sm3Se4,-6.11903156,-2.0991166578,0.0366027739,0.0366027739,GGA,I-43d,A4B3_cI28_220_c_a:Se-Sm,14.0,A4B3_cI28_220_c_a:Se-Sm +mp-29832,Sm10Se19,-5.8952515122,-1.9777280838,0.0,-0.023078152,GGA,P4_2/n,A19B10_tP58_86_ae4g_e2g:Se-Sm,58.0,"Invalid WP multiplicities - A19B10_tP58_86_ae5g_e2g:Se-Sm, expected Sm10Se23 to be Sm10Se19" +mp-10643,SmSe,-5.6177435575,-1.5104947512,0.5352887675,0.3262323244,GGA,P6_3mc,AB_hP4_186_b_b:Se-Sm,4.0,AB_hP4_186_b_b:Se-Sm +mp-1447,SmSe,-6.153032325,-2.0457835187,0.0,-0.2090564431,GGA,Fm-3m,AB_cF8_225_a_b:Se-Sm,2.0,AB_cF8_225_a_b:Se-Sm +mp-15081,Sm2Se3,-6.1566751375,-2.1716937969,0.0,-0.1139920644,GGA,Pnma,A3B2_oP20_62_3c_2c:Se-Sm,20.0,A3B2_oP20_62_3c_2c:Se-Sm +mp-32594,Sm2Se3,-6.1375342397,-2.1525528992,0.0191408978,-0.0948511666,GGA,I-42d,A3B2_tI80_122_3e_cde:Se-Sm,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c3d6e:Se-Sm, expected Sm19Se32 to be Sm2Se3" +mp-13282,Sm(ErSe2)3,-6.090013229,-2.1502920859,0.0109766787,0.0109766787,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:Er-Se-Sm,20.0,A3B6C_mP20_11_3e_6e_e:Er-Se-Sm +mp-1019253,SmSe2,-5.8129021567,-1.9094324599,0.0023713544,0.0023713544,GGA,P4/nmm,A2B_tP6_129_ac_c:Se-Sm,6.0,A2B_tP6_129_ac_c:Se-Sm +mp-684959,Sm5Se9,-5.9155966636,-1.9830156654,0.0380083365,0.0380083365,GGA,P-1,A9B5_aP28_2_9i_5i:Se-Sm,28.0,"Invalid WP multiplicities - A9B5_aP28_2_15i_8i:Se-Sm, expected Sm8Se15 to be Sm5Se9" +mp-1209,RbAu5,-3.0815413433,-0.1898839979,0.0,-0.0362915,GGA,P6/mmm,A5B_hP6_191_cg_a:Au-Rb,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Au-Rb, expected RbAu7 to be RbAu5" +mp-17830,Rb3Ge4Au,-3.3544977388,-0.2660482841,0.0,-0.0841039259,GGA,Pmmn,AB4C3_oP16_59_a_ef_be:Au-Ge-Rb,16.0,"Invalid WP multiplicities - AB4C3_oP16_59_a_2ef_be:Au-Ge-Rb, expected Rb3Ge6Au to be Rb3Ge4Au" +mp-11814,Rb2Au3,-2.655181978,-0.298639149,0.0,-0.023497954,GGA,Immm,A3B2_oI10_71_af_h:Au-Rb,5.0,"Invalid WP multiplicities - A3B2_oI10_71_a2f_h:Au-Rb, expected Rb2Au5 to be Rb2Au3" +mp-30373,RbAu,-2.40102393,-0.2738158938,0.0,-0.0249499363,GGA,Pm-3m,AB_cP2_221_a_b:Au-Rb,2.0,AB_cP2_221_a_b:Au-Rb +mp-31144,Rb3Au7,-2.862344118,-0.2764664962,0.0,-0.0244366977,GGA,Cmmm,A7B3_oC20_65_afo_cg:Au-Rb,10.0,A7B3_oC20_65_afo_cg:Au-Rb +mp-864969,Mg2PdRh,-4.576753985,-0.64056654,0.0,-0.037207795,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Mg-Pd-Rh +mp-1206060,LaMgAu,-3.9324164256,-0.6623600406,0.0,-0.0826285182,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-La-Mg,9.0,ABC_hP9_189_ad_f_g:Au-La-Mg +mp-1215639,Zr2Ga3Cu,-5.571083475,-0.5246008087,0.0,-0.0122695992,GGA,Cm,AB3C2_mC12_8_a_3a_2a:Cu-Ga-Zr,6.0,AB3C2_mC12_8_a_3a_2a:Cu-Ga-Zr +mp-1215276,ZrGaCu,-5.5239776817,-0.2989765742,0.1383260883,0.1291518436,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ga-Zr,6.0,ABC_hP6_164_d_d_c:Cu-Ga-Zr +mp-1077351,ZrGaCu,-5.66230377,-0.4373026625,0.0,-0.0091742447,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ga-Zr,6.0,ABC_hP6_194_c_d_a:Cu-Ga-Zr +mp-30050,Ba(GeRu)2,-6.413201064,-0.470433918,0.0,-0.1143584792,GGA,Fddd,AB2C2_oF40_70_a_e_f:Ba-Ge-Ru,10.0,AB2C2_oF40_70_a_e_f:Ba-Ge-Ru +mp-1186585,Pm2AlIn,-4.400053245,-0.4004671937,0.0,-0.0819388935,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-In-Pm,4.0,ABC2_cF16_225_a_b_c:Al-In-Pm +mp-1097322,Li2GePt,-2.158494155,1.4695075721,1.9216376479,1.9216376479,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Li-Pt,4.0,AB2C_oI8_71_a_e_b:Ge-Li-Pt +mp-1184951,Li2GePt,-4.066799755,-0.4387980279,0.0133320479,0.0133320479,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Pt,4.0,AB2C_cF16_225_a_c_b:Ge-Li-Pt +mp-1096335,LiGe2Pt,-2.986633495,1.3198944792,1.7047537163,1.7047537163,GGA,Immm,A2BC_oI8_71_e_a_b:Ge-Li-Pt,4.0,A2BC_oI8_71_e_a_b:Ge-Li-Pt +mp-1093937,LiGePt2,-3.24423436,1.4243199804,1.96231096,1.96231096,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Li-Pt,4.0,ABC2_oI8_71_a_b_e:Ge-Li-Pt +mp-1185305,LiGePt2,-5.2034545875,-0.5349002471000001,0.0030907325,0.0030907325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Pt,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Pt +mp-1096076,ZnNiPd2,-2.4260711325,1.923839845,2.2704879506,2.2704879506,GGA,Immm,AB2C_oI8_71_a_e_b:Ni-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Ni-Pd-Zn +mp-12504,CeZnPt,-5.2886309708,-0.8673089425,0.0,-0.0942213911,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Pt-Zn,12.0,ABC_oP12_62_c_c_c:Ce-Pt-Zn +mp-1225500,DyHoAl4,-4.5429829817,-0.51439981,9.74375e-05,9.74375e-05,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-Ho,6.0,A4BC_cF24_216_e_a_c:Al-Dy-Ho +mp-1097398,FeSi2Tc,-4.7995445225,2.6207795312,3.1029636875,3.1029636875,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Si-Tc,4.0,AB2C_oI8_71_a_e_b:Fe-Si-Tc +mp-862790,FeSiTc2,-8.9398895,-0.2857352175,0.0,-0.0215826788,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Si-Tc,4.0,ABC2_cF16_225_a_b_c:Fe-Si-Tc +mp-30312,Ca2SiIr2,-6.162104338,-0.739427108,0.0,-0.0909815386,GGA,C2/c,A2B2C_mC20_15_f_f_e:Ca-Ir-Si,10.0,A2B2C_mC20_15_f_f_e:Ca-Ir-Si +mp-1068653,CaSi3Ir,-6.058008302,-0.634010672,0.0,-0.0611420897,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ca-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Ca-Ir-Si +mp-1191649,CaSi7Ir3,-6.6435722686,-0.5982878477,0.0,-0.0257485071,GGA,R-3c,AB3C7_hR66_167_b_e_af:Ca-Ir-Si,22.0,AB3C7_hR66_167_b_e_af:Ca-Ir-Si +mp-11176,Ca3(SiIr)4,-6.6110615964,-0.8772608255000001,0.0,-0.1748666183,GGA,I-43m,A3B4C4_cI22_217_b_c_c:Ca-Ir-Si,11.0,A3B4C4_cI22_217_b_c_c:Ca-Ir-Si +mp-865801,LuPaTc2,-8.938574695,-0.2493514275,0.0,-0.0410765412,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Lu-Pa-Tc +mp-862967,PmTlRh2,-5.9171831775,-0.4567328752,0.0,-0.10879515,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Tl,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Tl +mp-1184352,Gd2AgHg,-8.2227845125,-0.4006643004,0.009023435,0.009023435,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Gd-Hg,4.0,AB2C_cF16_225_a_c_b:Ag-Gd-Hg +mp-864716,PaGaAu2,-5.16937984,-0.3967486694,0.0,-0.0125457475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Pa,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Pa +mp-866137,LuSbRh2,-6.61438228,-0.7697404050000001,0.0410096981,0.0410096981,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Sb +mp-1093619,ScTlAg2,-2.08585281,1.5042032546000002,1.7351044167,1.7351044167,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Sc-Tl,4.0,A2BC_oI8_71_e_a_b:Ag-Sc-Tl +mp-862366,Sc2TlAg,-4.7679368225,-0.3029024825,0.0,-0.0832709079,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sc-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Sc-Tl +mp-862879,PmBiAu2,-4.407073715,-0.6223748519,0.0,-0.0295293242,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Pm +mp-865167,Ca2CdPb,-2.6635034225,-0.501819275,0.0,-0.04105149,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Pb,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Pb +mp-623089,CaCdPb,-2.6003046433,-0.3865924067,0.0,-0.0207981194,GGA,P-62m,ABC_hP9_189_f_g_ad:Ca-Cd-Pb,9.0,ABC_hP9_189_f_g_ad:Ca-Cd-Pb +mp-973843,Pa2SbTe,-7.21809419,-0.6426850767,0.0,-0.0440746095,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pa-Sb-Te,4.0,A2BC_cF16_225_c_a_b:Pa-Sb-Te +mp-30609,ErTlPd,-4.68860546,-0.6518575378,0.0,-0.0212816174,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:Er-Pd-Tl +mp-1093756,CrSnRh2,-4.6424419625,2.4553668038,2.7452679250000003,2.7273477038,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Rh-Sn,4.0,AB2C_oI8_71_a_e_b:Cr-Rh-Sn +mp-1018066,CrSnRh2,-7.3877098875,-0.2899011212,0.0,-0.0179202212,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Cr-Rh-Sn,4.0,AB2C_tI8_139_a_d_b:Cr-Rh-Sn +mp-1183708,CrSnRh2,-7.37012448,-0.2723157137,0.0175854075,-0.0003348137,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Cr-Rh-Sn +mp-1101808,CeSbIr,-7.1941642133,-0.8939893550000001,0.0,-0.0120355312,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ir-Sb,12.0,ABC_oP12_62_c_c_c:Ce-Ir-Sb +mp-1196528,Ce2Sb4Ir3,-6.7879306286,-0.6882099831,0.0774451894,0.0774451894,GGA,Pnma,A2B3C4_oP36_62_2c_3c_4c:Ce-Ir-Sb,36.0,A2B3C4_oP36_62_2c_3c_4c:Ce-Ir-Sb +mp-1184455,EuCd2In,-4.0142113175,-0.300595055,0.0214139748,0.0214139748,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Eu-In,4.0,A2BC_cF16_225_c_a_b:Cd-Eu-In +mp-1222292,LiErSe2,-5.206239305,-1.839123147,0.0878795725,0.0411729453,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Er-Li-Se,4.0,ABC2_tP4_123_a_d_bc:Er-Li-Se +mp-35205,LiErSe2,-5.2771524975,-1.9100363395,0.01696638,-0.0297402472,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Er-Li-Se,8.0,ABC2_tI16_141_a_b_e:Er-Li-Se +mp-15797,LiErSe2,-5.2941188775,-1.9270027195,0.0,-0.0467066272,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Li-Se,4.0,ABC2_hR12_166_a_b_c:Er-Li-Se +mp-20959,Ce2InGe2,-5.419005207,-0.646221657,0.0,-0.0288299185,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Ge-In,10.0,A2B2C_tP10_127_h_g_a:Ce-Ge-In +mp-1214394,Ce3In4Ge,-4.6959656863,-0.5173369062000001,0.0,-0.0406872219,GGA,I4/mcm,A3BC4_tI32_140_ah_c_l:Ce-Ge-In,16.0,A3BC4_tI32_140_ah_c_l:Ce-Ge-In +mp-865896,YbPmAg2,-3.35840168,-0.3695860277,0.0,-0.0942369646,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pm-Yb,,A2BC_cF16_225_c_a_b:Ag-Pm-Yb +mp-1197659,Dy2Nb2Fe15,-8.2519352237,-0.0168561758,0.0548979768,0.0548979768,GGA,P6_3/mmc,A2B15C2_hP38_194_bc_gjk_f:Dy-Fe-Nb,38.0,A2B15C2_hP38_194_bc_gjk_f:Dy-Fe-Nb +mp-1214426,Ca4Rh6Pb19,-4.2352706493,-0.0025623366,0.193892595,0.193892595,GGA,I23,A4B19C6_cI58_197_c_adf_e:Ca-Pb-Rh,29.0,A4B19C6_cI58_197_c_adf_e:Ca-Pb-Rh +mp-1093536,CaRh2Pb,-3.1820096075,1.929706065,2.2510689032,2.2510689032,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Pb-Rh,4.0,ABC2_oI8_71_a_b_e:Ca-Pb-Rh +mp-862339,Sc2GaAg,-5.10178303,-0.470385471,0.0033101528,0.0033101528,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Sc +mp-1096036,ScGaAg2,-2.170306705,1.5861125785,1.9274338912,1.9274338912,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ga-Sc,4.0,A2BC_oI8_71_e_a_b:Ag-Ga-Sc +mp-867911,ScCdPd2,-5.12743036,-0.7236497387,0.0,-0.0488846733,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Sc +mp-568719,SmInAg2,-3.6549254725,-0.3710800046,0.0,-0.0422356475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Sm,4.0,A2BC_cF16_225_c_a_b:Ag-In-Sm +mp-978891,Sm2InAg,-4.1333287625,-0.3779757617,0.002721735,0.002721735,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-In-Sm +mp-1213201,Er5SbPt2,-5.8947078981,-1.0059751569,0.0205331988,0.0205331988,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Er-Pt-Sb,16.0,A5B2C_tI32_140_cl_h_a:Er-Pt-Sb +mp-16329,ErSbPt,-6.2030169067,-1.2803991167,0.0,-0.2519830813,GGA,F-43m,ABC_cF12_216_a_c_b:Er-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Er-Pt-Sb +mp-1097330,SrTl2In,-1.21941364,1.0722022292,1.3710410927,1.3710410927,GGA,Immm,ABC2_oI8_71_a_b_e:In-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:In-Sr-Tl +mp-1097657,Sr2TlIn,-0.94018311,1.1831453358,1.6110216047,1.6110216047,GGA,Immm,AB2C_oI8_71_a_e_b:In-Sr-Tl,4.0,AB2C_oI8_71_a_e_b:In-Sr-Tl +mp-1187125,Sr2TlIn,-2.547926695,-0.4245982492,0.0032780197,0.0032780197,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:In-Sr-Tl +mp-638141,LiSn5Rh3,-5.3746902503000005,-0.4802785001,0.0,-0.0392729875,GGA,Pbcm,AB3C5_oP36_57_d_de_d2e:Li-Rh-Sn,36.0,"Invalid WP multiplicities - AB3C5_oP36_57_d_3d3e_2d11e:Li-Rh-Sn, expected Li(Sn8Rh3)3 to be LiSn5Rh3" +mp-16648,LiSn4Rh,-4.5748979892,-0.3563116297,0.0,-0.030440706,GGA,I4/mcm,ABC4_tI24_140_c_a_l:Li-Rh-Sn,12.0,ABC4_tI24_140_c_a_l:Li-Rh-Sn +mp-864784,LiSnRh2,-5.72831377,-0.5665361546000001,0.0,-0.2331650855,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Sn +mp-29101,Ce8SbPd24,-6.1281959597,-0.7975632955,0.0289956962,0.0289956962,GGA,Pm-3m,A8B24C_cP33_221_g_efh_a:Ce-Pd-Sb,33.0,"Invalid WP multiplicities - A8B24C_cP33_221_g_3ef3h_a:Ce-Pd-Sb, expected Ce8SbPd60 to be Ce8SbPd24" +mp-1078778,Ce(SbPd)2,-5.692937391,-0.78276634,0.054320091,0.054320091,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Pd-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Pd-Sb +mp-18287,Ce2(SbPd3)3,-5.7544181489,-0.6921239832,0.0138064089,0.0138064089,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Ce-Pd-Sb,28.0,"Invalid WP multiplicities - A2B9C3_oC56_63_g_2c3f2g2h_2a2e:Ce-Pd-Sb, expected CeSb3Pd10 to be Ce2(SbPd3)3" +mp-1078616,CeSb3Pd,-5.194749246,-0.494754309,0.293896945,0.293896945,GGA,P4/nmm,ABC3_tP10_129_c_c_abc:Ce-Pd-Sb,10.0,ABC3_tP10_129_c_c_abc:Ce-Pd-Sb +mp-1207315,CeSb2Pd,-3.8196945225,1.0230488387,1.95757572,1.8746855143,GGA,P4/mmm,ABC2_tP8_123_g_g_abg:Ce-Pd-Sb,8.0,ABC2_tP8_123_g_g_abg:Ce-Pd-Sb +mp-1079881,CeSb2Pd,-5.7772702425,-0.9345268812,0.0,-0.0828902057,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ce-Pd-Sb,8.0,ABC2_tP8_129_c_a_bc:Ce-Pd-Sb +mp-662558,Ce3Sb5Pd6,-5.8180038214,-0.8520349268,0.0,-0.0034519457,GGA,Pmmn,A3B6C5_oP28_59_ae_2b2e_a2e:Ce-Pd-Sb,28.0,"Invalid WP multiplicities - A3B6C5_oP28_59_a2e_3b6e_2a5e:Ce-Pd-Sb, expected Ce5(Sb4Pd5)3 to be Ce3Sb5Pd6" +mp-1024986,CeSbPd,-6.0781333433,-0.9974759417,0.0,-0.0237725717,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ce-Pd-Sb,6.0,ABC_hP6_186_a_b_b:Ce-Pd-Sb +mp-1226638,CeSbPd,-5.6637599267,-0.583102525,0.4143734167,0.390600845,GGA,P6/mmm,ABC_hP6_191_e_c_d:Ce-Pd-Sb,6.0,ABC_hP6_191_e_c_d:Ce-Pd-Sb +mp-1018662,CeSbPd,-6.076504305,-0.9958469033,0.0016290383,-0.0221435333,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Pd-Sb,6.0,ABC_hP6_194_a_c_d:Ce-Pd-Sb +mp-1095610,ZrGePt,-7.3978060958,-0.9838521608,0.0,-0.1514730544,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Zr +mp-961681,ZrGePt,-6.7906752067,-0.3767212717,0.6071308892,0.4556578347,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Pt-Zr,3.0,ABC_cF12_216_a_b_c:Ge-Pt-Zr +mp-961713,ZrSnPt,-7.2273529467,-1.017884345,0.0,-0.2578995046,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sn-Zr,3.0,ABC_cF12_216_c_a_b:Pt-Sn-Zr +mp-866136,Zr6Al16Ru7,-6.7201656945,-0.6465024241,0.0,-0.0037675453,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ru-Zr +mp-977436,ZrAlRu2,-8.3812480975,-0.6707277125000001,0.0,-0.005202725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Ru-Zr +mp-1228972,AlCoNi6,-5.8938990025,-0.2020597894,0.0192860106,0.0192860106,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Al-Co-Ni,8.0,ABC6_tP8_123_a_b_cdi:Al-Co-Ni +mp-1229050,Al18Co5Ni3,-5.1079672854,-0.4809532871,0.0102443093,0.0102443093,GGA,Cm,A18B5C3_mC52_8_18a_5a_3a:Al-Co-Ni,26.0,A18B5C3_mC52_8_18a_5a_3a:Al-Co-Ni +mp-1214822,AlCo2Ni,-6.1839105475,-0.2483235225,0.1003284105,0.1003284105,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Al-Co-Ni,4.0,AB2C_tI8_139_a_d_b:Al-Co-Ni +mp-1214804,AlCo2Ni,-6.1665764325,-0.2309894075,0.1176625255,0.1176625255,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Ni,4.0,AB2C_cF16_225_a_c_b:Al-Co-Ni +mp-1228913,Al2CoNi,-5.7189577075,-0.6240561738,0.0111020875,0.0111020875,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Co-Ni,4.0,A2BC_tP4_123_h_a_b:Al-Co-Ni +mp-1228742,Al9Co2Ni,-4.874733065,-0.3991535033,0.0195661817,0.0195661817,GGA,Immm,A9B2C_oI96_71_abefi2mn2o_fhl_m:Al-Co-Ni,48.0,A9B2C_oI96_71_abefi2mn2o_fhl_m:Al-Co-Ni +mp-1100412,TiTeRu,-7.3579549233,-0.5868881067,0.1939167488,0.1939167488,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Te-Ti,3.0,ABC_cF12_216_c_a_b:Ru-Te-Ti +mp-1208554,TaSiPt,-8.492431165,-0.7076881717,0.0,-0.0528215494,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Ta,12.0,ABC_oP12_62_c_c_c:Pt-Si-Ta +mp-1093898,Mn2BeCr,-4.9664669525,2.9626557773,3.0565191245,3.0565191245,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cr-Mn,4.0,ABC2_oI8_71_a_b_e:Be-Cr-Mn +mp-1187524,TbGdIr2,-9.87035661,-0.773517435,0.0,-0.1594716463,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ir-Tb,4.0,AB2C_cF16_225_a_c_b:Gd-Ir-Tb +mp-1095727,MnTc2As,-5.5005726625,3.1350302343,3.2703165425,3.2703165425,GGA,Immm,ABC2_oI8_71_a_b_e:As-Mn-Tc,4.0,ABC2_oI8_71_a_b_e:As-Mn-Tc +mp-1186000,MnTc2As,-8.7642674575,-0.1286645607,0.0066217475,0.0066217475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Mn-Tc,4.0,ABC2_cF16_225_a_b_c:As-Mn-Tc +mp-1209789,Sm4Rh6Pb19,-4.6112465297,-0.0043332162,0.2572624338,0.2572624338,GGA,I23,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Sm,29.0,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Sm +mp-1205874,Lu6FeBi2,-5.2340287089,-0.4255061989,0.0,-0.0458863047,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Lu,9.0,A2BC6_hP9_189_c_b_fg:Bi-Fe-Lu +mp-862363,Sc2PdPt,-7.0683472175,-1.0893588825,0.0,-0.021782035,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Pd-Pt-Sc +mp-1079682,CeRhPb,-6.3131470144,-0.6431323161,0.0,-0.0755422067,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Pb-Rh,9.0,ABC_hP9_189_f_g_ad:Ce-Pb-Rh +mp-1214105,Ce3Rh4Pb13,-5.03097605,-0.2549305072,0.0496953292,0.0496953292,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ce-Pb-Rh,40.0,A3B13C4_cP40_223_c_ak_e:Ce-Pb-Rh +mp-1093819,LiScCd2,-1.1653238125,1.3564690604,1.6269969013,1.6269969013,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Li-Sc,4.0,A2BC_oI8_71_e_a_b:Cd-Li-Sc +mp-1217556,TbErTe2,-5.339122705,-1.4669485308,0.00151952,0.00151952,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Er-Tb-Te,4.0,ABC2_tP4_123_a_d_bc:Er-Tb-Te +mp-4911,Th(CuGe)2,-5.45477256,-0.4831070999999999,0.0,-0.100244141,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Th,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Th +mp-1205963,LuAgGe,-4.6029218689,-0.6107437428,0.0,-0.0850236056,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Lu,9.0,ABC_hP9_189_f_bc_g:Ag-Ge-Lu +mp-1217502,TbHo3Fe8,-7.2666317533,-0.0881515542,0.00096881,0.00096881,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Fe-Ho-Tb,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Fe-Ho-Tb, expected TbHo3Fe20 to be TbHo3Fe8" +mp-1217473,TbHoFe4,-7.2598234483,-0.07701348,0.00153441,0.00153441,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Ho-Tb,6.0,A4BC_cF24_216_e_a_c:Fe-Ho-Tb +mp-866167,GdCdAu2,-6.0454055975,-0.6587115975000001,0.0,-0.0416773999999999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Gd,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Gd +mp-569178,HoTlSe2,-5.099238855,-1.615020112,0.0,-0.0932715109,GGA,R-3m,AB2C_hR12_166_a_c_b:Ho-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Ho-Se-Tl +mp-865187,MgFeRh2,-6.49908978,-0.29936053,0.0,-0.0450009125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Fe-Mg-Rh +mp-1193493,Sm2Ga12Pd,-3.8019746037,-0.4050275137,0.0,-6.19569e-05,GGA,P4/nbm,A12BC2_tP30_125_2g2m_c_h:Ga-Pd-Sm,30.0,A12BC2_tP30_125_2g2m_c_h:Ga-Pd-Sm +mp-1219024,SmGa3Pd,-4.475526392,-0.6789751895,0.0,-0.0031280655,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Pd-Sm,5.0,A3BC_tI10_119_af_b_c:Ga-Pd-Sm +mp-30909,Sm(GaPd)2,-5.010005744,-0.7830973840000001,0.0,-0.000324981,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ga-Pd-Sm,5.0,A2B2C_tI10_139_e_d_a:Ga-Pd-Sm +mp-1102601,SmGaPd,-5.1717229342,-0.8628682783,0.0,-0.0549390811,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Sm,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Sm +mp-1105746,SmGaPd2,-5.4027063331,-0.8760948888000001,0.0,-0.0572983879,GGA,Pnma,AB2C_oP16_62_c_d_c:Ga-Pd-Sm,16.0,AB2C_oP16_62_c_d_c:Ga-Pd-Sm +mp-861881,LiGeAu2,-3.5905512550000003,-0.3206225746,0.0,-0.003081615,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Au-Ge-Li +mp-2935,Li2GeAu,-3.4137790125,-0.4850901154,0.0,-0.0735762069,GGA,F-43m,ABC2_cF16_216_a_c_bd:Au-Ge-Li,4.0,ABC2_cF16_216_a_c_bd:Au-Ge-Li +mp-1184235,ErMgPd2,-4.9669142375,-0.8349736175,0.001522585,0.001522585,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Er-Mg-Pd +mp-1079435,ErMgPd,-4.4810357733,-0.6984088833000001,0.0,-0.0695595095,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:Er-Mg-Pd +mp-864921,MgZrIr2,-7.708232165,-0.752019905,0.0,-0.1078486739,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Zr,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Zr +mp-31169,ScAlAg2,-4.26850616,-0.3327169246,0.0,-0.0200183583,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Sc,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Sc +mp-972907,Sc2AlAg,-5.1717869825000005,-0.3610194717,0.0058613975,0.0058613975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Al-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Al-Sc +mp-1217893,TaNbAl6,-5.9295496325,-0.3754824262,0.0,-0.00147191,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Nb-Ta,8.0,A6BC_tP8_123_adi_b_c:Al-Nb-Ta +mp-1208552,Tb2(Al3Ir)3,-5.8318611318,-0.8679884739,0.0,-0.1810629511,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Tb +mp-866117,HfZnAu2,-4.88059985,-0.43942569,0.0,-0.0044446297,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Hf-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Hf-Zn +mp-1080612,GdAlCu,-7.74039576,-0.4334275133,0.0,-0.0440294258,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Gd,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Gd +mp-1076933,GdAl3Cu,-6.332189146,-0.449777866,0.0,-0.0203967668,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-Gd,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-Gd +mp-1224679,GdAlCu4,-5.9475876233000005,-0.244500165,0.0117890875,0.0117890875,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Gd,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Gd +mp-973553,Gd(Al2Cu)4,-4.9624307123,-0.3133879769,0.0,-0.0204379044,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Gd,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cu-Gd, expected Gd(Al3Cu)4 to be Gd(Al2Cu)4" +mp-1225036,Gd(AlCu)6,-5.0586737554,-0.3552262754,0.0,-0.0515609489,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Gd,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Gd +mp-1185392,LiGd2Al,-8.66987741,-0.2181916158,0.0,-0.0096124036,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Gd-Li,4.0,AB2C_cF16_225_a_c_b:Al-Gd-Li +mp-1219103,SmAlGa,-4.41611066,-0.5853579975000001,0.0142656958,0.0142656958,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Sm,3.0,ABC_hP3_187_a_c_f:Al-Ga-Sm +mp-1095796,Sr2ZnHg,-0.30447535,0.9311273704,1.3006647131,1.3006647131,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-Sr-Zn +mp-1187096,Sr2ZnHg,-1.5916278350000002,-0.3560251146,0.0135122281,0.0135122281,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sr-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Sr-Zn +mp-864988,Mn2AlCr,-8.0917223575,-0.1610588865,0.0,-0.0249160145,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cr-Mn,4.0,ABC2_cF16_225_a_b_c:Al-Cr-Mn +mp-1221714,MnAl24Cr,-4.26524982,-0.0841389476,0.0,-0.0013996148,GGA,C2/m,A24BC_mC52_12_4i4j_a_d:Al-Cr-Mn,26.0,"Invalid WP multiplicities - A24BC_mC52_12_6i11j_a_c:Al-Cr-Mn, expected MnAl56Cr to be MnAl24Cr" +mp-1221662,MnAl2Cr3,-7.7653503767,-0.1632988163,0.0,-0.011153335,GGA,P4mm,A2B3C_tP6_99_ab_a2b_a:Al-Cr-Mn,6.0,A2B3C_tP6_99_ab_a2b_a:Al-Cr-Mn +mp-1217889,TaTiBe4,-5.9461611283,-0.1610076106,0.0480362632,0.0480362632,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Ta-Ti,6.0,A4BC_cF24_216_e_a_c:Be-Ta-Ti +mp-1215259,ZrTiPt,-8.2063380658,-0.7015627436,0.0671043831,0.0671043831,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Pt-Ti-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Pt-Ti-Zr, expected Zr3(TiPt)2 to be ZrTiPt" +mp-865791,CrSiRu2,-8.831251155,-0.42445851,0.0,-0.1122893458,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Cr-Ru-Si +mp-1226596,CeNd3Si8,-5.8692773892000005,-0.5659377481,0.0036302263,0.0036302263,GGA,P-4m2,AB3C8_tP12_115_a_cg_ef2g:Ce-Nd-Si,12.0,"Invalid WP multiplicities - AB3C8_tP12_115_a_cg_2e2f4g:Ce-Nd-Si, expected CeNd3Si16 to be CeNd3Si8" +mp-1226607,CeNdSi2,-6.0519351112,-0.6639669494,0.0098135394,0.0098135394,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Ce-Nd-Si,8.0,ABC2_oP8_26_a_b_ab:Ce-Nd-Si +mp-1228004,Ce5Nd5Si6,-5.9087325019,-0.530101807,0.0165823147,0.0165823147,GGA,Cm,A5B5C6_mC32_8_a2b_3ab_2a2b:Ce-Nd-Si,16.0,A5B5C6_mC32_8_a2b_3ab_2a2b:Ce-Nd-Si +mp-974315,RuI,-4.7216580775,0.6522263675000001,0.6522263675000001,0.6522263675000001,GGA,P6_3mc,AB_hP4_186_b_b:I-Ru,4.0,AB_hP4_186_b_b:I-Ru +mp-863264,TbI3,-3.9638038675,-1.70018758,0.0,-1.70018758,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Tb,8.0,A3B_hP8_194_h_c:I-Tb +mp-1188900,Tb7RuI12,-4.450236362,-1.48046829,0.0,-0.0590555013,GGA,R-3,A12BC7_hR60_148_2f_a_bf:I-Ru-Tb,20.0,A12BC7_hR60_148_2f_a_bf:I-Ru-Tb +mp-974457,Ru3I,-6.5413938875,0.782749605,0.782749605,0.782749605,GGA,Pm-3m,AB3_cP4_221_a_c:I-Ru,4.0,AB3_cP4_221_a_c:I-Ru +mp-1105577,La5RuPb3,-5.5449239167,-0.5346595528,0.0,-0.002829481,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:La-Pb-Ru,18.0,A5B3C_hP18_193_dg_g_b:La-Pb-Ru +mp-1105726,Ce(Sb3Os)4,-6.0815003612,-0.1761724932,0.0,-0.0005359247,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ce-Os-Sb,17.0,AB4C12_cI34_204_a_c_g:Ce-Os-Sb +mp-1226406,Dy5(Sn3Os)6,-5.9009754962,-0.2950985248,0.0203507705,0.0203507705,GGA,F-43m,A5B6C18_cF116_216_ce_g_abeh:Dy-Os-Sn,29.0,A5B6C18_cF116_216_ce_g_abeh:Dy-Os-Sn +mp-20414,U7Te12,-7.0288041726,-0.8835651837,0.0434740934,0.0434740934,GGA,P-6,A12B7_hP19_174_2j2k_ajk:Te-U,19.0,"Invalid WP multiplicities - A12B7_hP19_174_2j3k_ajk:Te-U, expected U7Te15 to be U7Te12" +mp-979114,Th3U,-8.1384812175,0.2447649725,0.2447649725,0.2447649725,GGA,Pm-3m,A3B_cP4_221_c_a:Th-U,4.0,A3B_cP4_221_c_a:Th-U +mp-573810,U2Te5,-6.3200270457,-0.8486914048,0.04563802,0.04563802,GGA,C2/m,A5B2_mC28_12_5i_2i:Te-U,14.0,"Invalid WP multiplicities - A5B2_mC28_12_8i_2i:Te-U, expected UTe4 to be U2Te5" +mp-651772,UTe5,-5.2105262288,-0.7092029826,0.0,-0.1453144393,GGA,Pna2_1,A5B_oP24_33_5a_a:Te-U,24.0,"Invalid WP multiplicities - A5B_oP24_33_18a_a:Te-U, expected UTe18 to be UTe5" +mp-28500,UTe5,-5.1642981246,-0.6629748785,0.0462281042,-0.0990863351,GGA,Pnma,A5B_oP24_62_a2cd_c:Te-U,24.0,"Invalid WP multiplicities - A5B_oP24_62_4a7c5d_c:Te-U, expected UTe21 to be UTe5" +mp-29790,U3Te5,-7.1174161959,-0.9185712589,0.0024769631,0.0024769631,GGA,Pnma,A5B3_oP32_62_5c_3c:Te-U,32.0,A5B3_oP32_62_5c_3c:Te-U +mp-1200463,U3Te5,-7.0744729009,-0.8756279639000001,0.0454202581,0.0454202581,GGA,Pnma,A5B3_oP32_62_3cd_cd:Te-U,32.0,A5B3_oP32_62_3cd_cd:Te-U +mp-619501,U2Te3,-7.3008297525,-0.8982822125000001,0.0,-0.016453804,GGA,Pnma,A3B2_oP20_62_3c_2c:Te-U,20.0,"Invalid WP multiplicities - A3B2_oP20_62_10c_7c:Te-U, expected U7Te10 to be U2Te3" +mp-684787,U2Te3,-7.2831484053,-0.8806008652,0.0176813472,0.0012275432,GGA,I-42d,A3B2_tI80_122_3e_cde:Te-U,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d5e:Te-U, expected U9Te16 to be U2Te3" +mp-1217457,Th4UTe5,-6.832647916,-1.1663106683,0.0845449498,0.0845449498,GGA,P4/mmm,A5B4C_tP10_123_a2g_2h_d:Te-Th-U,10.0,"Invalid WP multiplicities - A5B4C_tP10_123_a4g_3h_d:Te-Th-U, expected Th6UTe9 to be Th4UTe5" +mp-8357,UTe3,-6.0261647375,-0.8458328150000001,0.0,-0.0117355381,GGA,P2_1/m,A3B_mP8_11_3e_e:Te-U,8.0,A3B_mP8_11_3e_e:Te-U +mp-22231,UTe3,-6.0230088975,-0.842676975,0.00315584,-0.0085796981,GGA,Cmcm,A3B_oC16_63_3c_c:Te-U,8.0,"Invalid WP multiplicities - A3B_oC16_63_5c_c:Te-U, expected UTe5 to be UTe3" +mp-11447,UTe,-7.869590045,-0.6522320933,0.0963364171,0.0963364171,GGA,Pm-3m,AB_cP2_221_a_b:Te-U,2.0,AB_cP2_221_a_b:Te-U +mp-2269,UTe,-7.848718765,-0.6313608133,0.1172076971,0.1172076971,GGA,Fm-3m,AB_cF8_225_a_b:Te-U,2.0,AB_cF8_225_a_b:Te-U +mp-666,UTe2,-6.81833217,-0.9589915711,0.0,-0.0646664602,GGA,Immm,A2B_oI12_71_eg_f:Te-U,6.0,A2B_oI12_71_eg_f:Te-U +mp-21335,UTe2,-6.7367911333,-0.8774505344,0.0815410367,0.0168745765,GGA,P4/nmm,A2B_tP6_129_ac_c:Te-U,6.0,A2B_tP6_129_ac_c:Te-U +mp-20520,U3Te4,-7.4547056714,-0.8193551567,0.0361517124,0.0361517124,GGA,I-43d,A4B3_cI28_220_c_a:Te-U,14.0,A4B3_cI28_220_c_a:Te-U +mp-1217261,ThUTe2,-7.17677886,-0.9288088483,0.1941197082,0.1941197082,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Te-Th-U,4.0,A2BC_tP4_123_ad_b_c:Te-Th-U +mp-1093866,Ta2RePd,-6.177318715,4.1576723487,4.4608013331,4.4608013331,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Pd-Re-Ta +mp-1187367,TbRh2Pb,-6.3148255125,-0.5459182850000001,0.0067376175,0.0067376175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Pb-Rh-Tb +mp-685011,Te8I3,-2.6662120045,0.0216558315,0.186744389,0.186744389,GGA,Cm,A3B8_mC22_8_3a_8a:I-Te,11.0,A3B8_mC22_8_3a_8a:I-Te +mp-862773,TeI2,-2.351960275,-0.3219474106,0.0686231319,0.0686231319,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Te,6.0,A2B_tP6_136_f_a:I-Te +mp-28464,Re3(TeI)7,-4.6062967015,-0.5092209804,0.0,-0.0554317138,GGA,P-1,A7B3C7_aP34_2_7i_3i_7i:I-Re-Te,34.0,A7B3C7_aP34_2_7i_3i_7i:I-Re-Te +mp-1101136,TeI4,-2.1068231153,-0.2994688567,0.1661906082,-0.1063004103,GGA,P-1,A4B_aP30_2_12i_3i:I-Te,30.0,"Invalid WP multiplicities - A4B_aP30_2_24i_5i:I-Te, expected Te5I24 to be TeI4" +mp-1217312,TeI4,-2.170977332,-0.3636230733,0.1020363915,-0.170454627,GGA,C2/m,A4B_mC10_12_2i_a:I-Te,5.0,"Invalid WP multiplicities - A4B_mC10_12_4i_a:I-Te, expected TeI8 to be TeI4" +mp-651155,TeI4,-2.2705547895,-0.4632005308,0.002458934,-0.2700320845,GGA,P2_1/c,A4B_mP80_14_16e_4e:I-Te,80.0,"Invalid WP multiplicities - A4B_mP80_14_62e_11e:I-Te, expected Te11I62 to be TeI4" +mp-567269,TeI4,-2.270934415,-0.4635801563,0.0020793085,-0.27041171,GGA,Pmn2_1,A4B_oP40_31_4a6b_2ab:I-Te,40.0,"Invalid WP multiplicities - A4B_oP40_31_8a22b_4a3b:I-Te, expected Te5I26 to be TeI4" +mp-570884,TeI4,-2.2730137235,-0.4656594648,0.0,-0.2724910185,GGA,Pnma,A4B_oP80_62_4c6d_2cd:I-Te,80.0,"Invalid WP multiplicities - A4B_oP80_62_15c46d_8c5d:I-Te, expected Te18I107 to be TeI4" +mp-567914,TeI4,-2.2660891872,-0.4587349286,0.0069245363,-0.2655664822,GGA,I4_1/amd,A4B_tI80_141_2hi_h:I-Te,40.0,"Invalid WP multiplicities - A4B_tI80_141_13h11i_h:I-Te, expected TeI35 to be TeI4" +mp-573815,ReI3,-4.6038056246,-0.3876490658,0.0,-0.3876490658,GGA,P2_1/m,A3B_mP24_11_3e3f_ef:I-Re,24.0,"Invalid WP multiplicities - A3B_mP24_11_6e10f_2ef:I-Re, expected Re2I13 to be ReI3" +mp-23273,TeI,-2.5876531531,-0.2793170315,0.0173923581,0.0167023583,GGA,P-1,AB_aP16_2_4i_4i:I-Te,16.0,AB_aP16_2_4i_4i:I-Te +mp-569766,TeI,-2.6050455113,-0.2967093896,0.0,-0.0006899998,GGA,C2/m,AB_mC16_12_2i_2i:I-Te,8.0,AB_mC16_12_3i_3i:I-Te +mp-27655,Te2I,-2.7884342825,-0.2017749036,0.0,-0.0039686439,GGA,Pnma,AB2_oP24_62_2c_4c:I-Te,24.0,AB2_oP24_62_2c_4c:I-Te +mp-1247521,Mg5NiN4,-5.224651111,-0.511899448,0.2423136551,0.2423136551,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Mg-N-Ni,20.0,A5B4C_oP20_59_ag_ef_b:Mg-N-Ni +mp-1185783,Mg3N,-2.7901802875,0.4941534812,1.0538540067,1.0538540067,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-N,8.0,A3B_hP8_194_h_c:Mg-N +mp-1078930,MgN8,-6.6785236044000005,0.9095030011,1.0753401938,1.0753401938,GGA,I4/m,AB8_tI18_87_a_ceh:Mg-N,9.0,AB8_tI18_87_a_ceh:Mg-N +mp-1559,Mg3N2,-5.1902868407,-0.8955208408,0.0,-0.8955208407,GGA,Ia-3,A3B2_cI80_206_e_ad:Mg-N,40.0,A3B2_cI80_206_e_ad:Mg-N +mp-1094084,Ni4N3,-6.6266528257,0.2490659593,0.294470164,0.294470164,GGA,Pm-3m,A3B4_cP7_221_d_ac:N-Ni,7.0,"Invalid WP multiplicities - A3B4_cP7_221_d_a2c:N-Ni, expected Ni7N3 to be Ni4N3" +mp-1246916,MgNi5N4,-6.3297045855,0.0549897295,0.2439718821,0.2439718821,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Mg-N-Ni,20.0,AB4C5_oP20_59_a_ef_bg:Mg-N-Ni +mp-2033,Ni3N,-6.47881926,-0.0595930187,0.0,-0.0595930187,GGA,P6_322,AB3_hP8_182_c_g:N-Ni,8.0,AB3_hP8_182_c_g:N-Ni +mp-1430841,NiN,-6.222400885,0.8359149175,0.8756435967,0.8756435967,GGA,P4_2/mmc,AB_tP4_131_c_a:N-Ni,4.0,AB_tP4_131_c_a:N-Ni +mp-973933,NiN,-6.7855147975,0.272801005,0.3125296842,0.3125296842,GGA,P6_3mc,AB_hP4_186_b_b:N-Ni,4.0,AB_hP4_186_b_b:N-Ni +mp-13116,NiN,-6.80519542,0.2531203825,0.2928490617,0.2928490617,GGA,F-43m,AB_cF8_216_a_c:N-Ni,2.0,AB_cF8_216_a_c:N-Ni +mp-1009483,NiN,-6.12787195,0.9304438525,0.9701725317,0.9701725317,GGA,Pm-3m,AB_cP2_221_a_b:N-Ni,2.0,AB_cP2_221_a_b:N-Ni +mp-1009488,NiN,-6.62557321,0.4327425925,0.4724712717,0.4724712717,GGA,Fm-3m,AB_cF8_225_a_b:N-Ni,2.0,AB_cF8_225_a_b:N-Ni +mp-20839,Ni4N,-4.320404768,1.971003561,2.018677976,2.018677976,GGA,Pm-3m,AB4_cP5_221_a_bc:N-Ni,5.0,AB4_cP5_221_a_bc:N-Ni +mp-1094090,Ni4N,-6.272394768,0.019013561,0.066687976,0.066687976,GGA,Pm-3m,AB4_cP5_221_b_ac:N-Ni,5.0,AB4_cP5_221_b_ac:N-Ni +mp-1397348,Mg2NiN2,-5.65816021,-0.527422884,0.0854824815,0.0854824815,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Mg-N-Ni,10.0,A2B2C_mC20_12_2i_2i_i:Mg-N-Ni +mp-1233322,Mg(NiN)2,-5.967119438,-0.000410786,0.3298791042,0.3298791042,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Mg-N-Ni,5.0,AB2C2_tP5_115_a_g_f:Mg-N-Ni +mp-1021498,P3Pd,-5.618915575,-0.2639682425,0.0583025404,0.0583025404,GGA,Im-3,A3B_cI32_204_g_c:P-Pd,16.0,A3B_cI32_204_g_c:P-Pd +mp-1220003,PPd4,-5.6122419547,-0.3856760053,0.016324413,0.016324413,GGA,Pm,AB4_mP15_6_2ab_2a2b4c:P-Pd,15.0,"Invalid WP multiplicities - AB4_mP15_6_2ab_2a2b8c:P-Pd, expected P3Pd20 to be PPd4" +mp-28266,P2Pd,-5.765189985,-0.4296943772,0.0,-0.1298490601,GGA,C2/c,A2B_mC12_15_f_c:P-Pd,6.0,A2B_mC12_15_f_a:P-Pd +mp-1227555,Bi4PPd15,-5.1539702805,-0.2302959717,0.0846687619,0.0846687619,GGA,R-3m,A4BC15_hR60_166_2c_a_b7c:Bi-P-Pd,20.0,"Invalid WP multiplicities - A4BC15_hR60_166_3c_a_b14c:Bi-P-Pd, expected Bi6PPd29 to be Bi4PPd15" +mp-27533,P2Pd15,-5.4611784888,-0.2538354204,0.0045364329,0.0045364329,GGA,R-3,A2B15_hR51_148_c_ac2f:P-Pd,17.0,A2B15_hR51_148_c_ac2f:P-Pd +mp-19879,PPd3,-5.7174676744,-0.4792306902,0.0,-0.0888384307,GGA,Pnma,AB3_oP16_62_c_cd:P-Pd,16.0,AB3_oP16_62_c_cd:P-Pd +mp-1183506,Bi3P,-3.8604340612,0.3732584129,0.3732584129,0.3732584129,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-P,8.0,A3B_hP8_194_h_c:Bi-P +mp-1618,PPd6,-5.5269648743,-0.3137372505,0.0,-0.0169693977,GGA,P2_1/c,AB6_mP28_14_e_6e:P-Pd,28.0,AB6_mP28_14_e_6e:P-Pd +mp-1219971,PPd6,-5.3880365071,-0.1748088833,0.1389283671,0.1219589694,GGA,Amm2,AB6_oC14_38_a_ab2c:P-Pd,7.0,AB6_oC14_38_a_ab2c:P-Pd +mp-866279,CaCdPd2,-3.8889038275,-0.5668405125,0.0212205509,0.0212205509,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Cd-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-Cd-Pd +mp-1103172,CaCdPd,-3.3034273075,-0.6006368242,0.0,-0.0079606739,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Cd-Pd,12.0,ABC_oP12_62_c_c_c:Ca-Cd-Pd +mp-1105752,CaCd2Pd,-2.7635429081,-0.5057276056,0.0,-0.037728736,GGA,Pnma,AB2C_oP16_62_c_d_c:Ca-Cd-Pd,16.0,AB2C_oP16_62_c_d_c:Ca-Cd-Pd +mp-1068286,Ca2CdPd2,-3.721005614,-0.6622349860000001,0.0,-0.0318117395,GGA,Immm,A2BC2_oI10_71_e_c_g:Ca-Cd-Pd,5.0,A2BC2_oI10_71_e_c_g:Ca-Cd-Pd +mp-22481,KIn4,-2.541257464,-0.1178306906,0.0,-0.0130248234,GGA,I4/mmm,A4B_tI10_139_de_a:In-K,5.0,A4B_tI10_139_de_a:In-K +mp-1079139,K3Co,-1.7413884462,0.8684902127,0.8684902127,0.8684902127,GGA,P2_1/c,AB3_mP8_14_a_ce:Co-K,8.0,AB3_mP8_14_a_ce:Co-K +mp-1185067,K3Co,-1.7954820525,0.8143966065,0.8143966065,0.8143966065,GGA,I4/mmm,AB3_tI8_139_a_bd:Co-K,4.0,AB3_tI8_139_a_bd:Co-K +mp-976583,K3Co,-1.8693606462,0.7405180127000001,0.7405180127000001,0.7405180127000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-K,8.0,AB3_hP8_194_c_h:Co-K +mp-1185104,KIn3,-2.3690817675,-0.0277192333,0.1093181116,0.1093181116,GGA,Fm-3m,A3B_cF16_225_ac_b:In-K,4.0,A3B_cF16_225_ac_b:In-K +mp-1079231,KCo,-3.29306994,0.816288431,0.816288431,0.816288431,GGA,Pnma,AB_oP8_62_c_c:Co-K,8.0,AB_oI8_74_e_e:Co-K +mp-1180846,KCo,-3.2895570838,0.8198012872,0.8198012872,0.8198012872,GGA,Pnma,AB_oP8_62_c_c:Co-K,8.0,AB_oP8_62_c_c:Co-K +mp-1978358,KCo,-3.299338955,0.810019416,0.810019416,0.810019416,GGA,Imma,AB_oI8_74_e_e:Co-K,4.0,AB_oI8_74_e_e:Co-K +mp-571263,KIn9Co2,-3.3985371175,-0.0575214419,0.0,-0.001097716,GGA,P6/mmm,A2B9C_hP12_191_c_fm_a:Co-In-K,12.0,"Invalid WP multiplicities - A2B9C_hP12_191_c_2f3m_a:Co-In-K, expected K(In12Co)2 to be KIn9Co2" +mp-582929,K8In11,-2.2066487526,-0.1460322997,0.0,-0.0202383512,GGA,R-3c,A11B8_hR114_167_cef_cf:In-K,38.0,"Invalid WP multiplicities - A11B8_hR114_167_3c6e6f_3c3f:In-K, expected K2In5 to be K8In11" +mp-640781,K17In41,-2.4242123059000003,-0.1535948054,0.0,-0.0238860972,GGA,Fd-3m,A41B17_cF464_227_ae3g_beg:In-K,116.0,"Invalid WP multiplicities - A41B17_cF464_227_2a6e51g_2b7e7g:In-K, expected K57In319 to be K17In41" +mp-982664,K3In,-1.46084257,0.0598775727,0.1229369749,0.1229369749,GGA,I4/mmm,AB3_tI8_139_a_bd:In-K,4.0,AB3_tI8_139_a_bd:In-K +mp-982665,K3In,-1.4541806475,0.0665394952,0.1295988974,0.1295988974,GGA,Pm-3m,AB3_cP4_221_a_c:In-K,4.0,AB3_cP4_221_a_c:In-K +mp-1185054,K3In,-1.4573501,0.0633700427,0.1264294449,0.1264294449,GGA,Fm-3m,AB3_cF16_225_a_bc:In-K,4.0,AB3_cF16_225_a_bc:In-K +mp-865996,YbSbPd2,-4.81976413,-0.8126708450000001,0.0023639517,0.0023639517,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sb-Yb,,A2BC_cF16_225_c_a_b:Pd-Sb-Yb +mp-20540,YbSbPd,-4.5952242367,-0.97906046,0.0,-0.1008845732,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sb-Yb,,ABC_oP12_62_c_c_c:Pd-Sb-Yb +mp-10981,YbSbPd,-3.8284183967,-0.21225462,0.76680584,0.6659212668000001,GGA,F-43m,ABC_cF12_216_a_b_c:Pd-Sb-Yb,,ABC_cF12_216_a_b_c:Pd-Sb-Yb +mp-571363,YbSbPd,-4.5154458033,-0.8992820267,0.0797784333,-0.0211061398,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sb-Yb,,ABC_cF12_216_c_a_b:Pd-Sb-Yb +mp-574339,Y2Ni7,-6.3138955317,-0.3812400887,0.0,-0.0116033467,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Y,18.0,"Invalid WP multiplicities - A7B2_hR54_166_a4c2d5h_4c:Ni-Y, expected Y8Ni45 to be Y2Ni7" +mp-1201276,Y2Ni7,-6.3053736525,-0.3727182095,0.0085218792,-0.0030814675,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Y,36.0,A7B2_hP36_194_aefhk_2f:Ni-Y +mp-569196,YNi3,-6.3468207017000005,-0.3951004133,0.0,-0.002182601,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Y,12.0,"Invalid WP multiplicities - A3B_hR36_166_a2c4h_bc:Ni-Y, expected Y3Ni29 to be YNi3" +mp-1207735,Y8Te3,-6.4055527814,-0.8453994553,0.0,-0.0098198344,GGA,C2/m,A3B8_mC88_12_6i_16i:Te-Y,44.0,A3B8_mC88_12_6i_16i:Te-Y +mp-1207883,Y4Ni,-6.081504164,0.2477000627,0.4391683462,0.4391683462,GGA,Fd-3m,AB4_cF40_227_a_e:Ni-Y,10.0,AB4_cF40_227_a_e:Ni-Y +mp-1077365,YTe2,-5.6923142133,-1.44128658,0.0507407631,0.0507407631,GGA,P4/nmm,A2B_tP6_129_ac_c:Te-Y,6.0,A2B_tP6_129_ac_c:Te-Y +mp-642301,Y7Te2,-6.374805915,-0.6468159617,0.042028039,0.042028039,GGA,Pnma,A2B7_oP36_62_2c_7c:Te-Y,36.0,"Invalid WP multiplicities - A2B7_oP36_62_4c_25c:Te-Y, expected Y25Te4 to be Y7Te2" +mp-1201001,Y5(NiTe)2,-6.4811034592,-0.9056322688,0.0048447014,-0.0270327493,GGA,Pnma,A2B2C5_oP36_62_2c_2c_5c:Ni-Te-Y,36.0,A2B2C5_oP36_62_2c_2c_5c:Ni-Te-Y +mp-1207773,Y5(NiTe)2,-6.4859481606,-0.9104769702,0.0,-0.0318774507,GGA,Cmcm,A2B2C5_oC36_63_2c_f_c2f:Ni-Te-Y,18.0,A2B2C5_oC36_63_2c_f_c2f:Ni-Te-Y +mp-1196175,Y2Ni17,-6.0465372666,-0.1941548568,0.0071352903,0.0071352903,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Y,38.0,A17B2_hP38_194_fgjk_bc:Ni-Y +mp-1189791,Y2Te3,-6.1585214975,-1.6859495162,0.0,-0.2084191795,GGA,Fddd,A3B2_oF80_70_eh_2f:Te-Y,20.0,A3B2_oF80_70_eh_2f:Te-Y +mp-1207306,Y2Te3,-3.341981832,1.1305901493,2.8165396655,2.608120486,GGA,P4/mmm,A3B2_tP5_123_ag_g:Te-Y,5.0,A3B2_tP5_123_ag_g:Te-Y +mp-2152,YNi5,-6.2132351517,-0.3187093994,0.0,-0.0263347959,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Y,6.0,A5B_hP6_191_cg_a:Ni-Y +mp-1364,YNi,-6.5551287988,-0.4318249021,0.0,-0.0523534532,GGA,Pnma,AB_oP8_62_c_c:Ni-Y,8.0,AB_oP8_62_c_c:Ni-Y +mp-1019,YNi2,-6.4262805417,-0.4173657172,0.0053937035,0.0053937035,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Y,6.0,A2B_cF24_227_c_b:Ni-Y +mp-1200338,Y15Ni32,-6.4211674747,-0.4219878904,0.0,-0.0084120122,GGA,F-43m,A32B15_cF188_216_2e2h_a2eg:Ni-Y,47.0,A32B15_cF188_216_2e2h_a2eg:Ni-Y +mp-1105633,Y3Ni,-6.5342228594,-0.2393353544,0.0,-0.0168588808,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Y,16.0,AB3_oP16_62_c_cd:Ni-Y +mp-865430,YTe,-6.336784475,-1.5318959717,0.0,-0.1027811963,GGA,P-6m2,AB_hP2_187_a_d:Te-Y,2.0,AB_hP2_187_a_d:Te-Y +mp-1708,YTe,-6.323546005,-1.5186575017,0.01323847,-0.0895427263,GGA,Fm-3m,AB_cF8_225_a_b:Te-Y,2.0,AB_cF8_225_a_b:Te-Y +mp-582134,Y3Ni2,-6.5478996978,-0.3559623578,0.0,-0.0011332748,GGA,P4_12_12,A2B3_tP80_92_4b_2a5b:Ni-Y,80.0,"Invalid WP multiplicities - A2B3_tP80_92_25b_8a35b:Ni-Y, expected Y39Ni25 to be Y3Ni2" +mp-945077,YTe3,-5.223721825,-1.2496246267,0.0,-0.1686596917,GGA,Cmcm,A3B_oC16_63_3c_c:Te-Y,8.0,A3B_oC16_63_3c_c:Te-Y +mp-21001,Y(GeRu)2,-7.506928,-0.6546616193,0.0,-0.0907392593,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ru-Y,5.0,A2B2C_tI10_139_e_d_a:Ge-Ru-Y +mp-1205786,Y3Ru2,-7.84566803,-0.256024346,0.071737286,0.071737286,GGA,P6_3/m,A2B3_hP10_176_bc_h:Ru-Y,10.0,A2B3_hP10_176_bc_h:Ru-Y +mp-1187786,Y3Ge,-6.296223975,-0.2906136763,0.2648511082,0.2648511082,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Y,4.0,AB3_tI8_139_a_bd:Ge-Y +mp-1187802,Y3Ge,-6.304026835,-0.2984165363,0.2570482482,0.2570482482,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ge-Y,8.0,AB3_hP8_194_c_h:Ge-Y +mp-620812,Y2Ge5Ru3,-7.029755881,-0.6426269688,0.0,-0.03664115,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ru-Y,20.0,"Invalid WP multiplicities - A5B3C2_oI40_72_2a4f3j_bj_j:Ge-Ru-Y, expected Y2Ge16Ru3 to be Y2Ge5Ru3" +mp-704462,Y3Ge13Ru4,-6.2729317225,-0.4431124418,0.0217381695,0.0217381695,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ru-Y,40.0,"Invalid WP multiplicities - A13B4C3_cP40_223_2a3k_e_c:Ge-Ru-Y, expected Y3(Ge19Ru2)2 to be Y3Ge13Ru4" +mp-1207781,Y3Ru,-7.4745433625,-0.3060893925,0.0,-0.014295574,GGA,Pnma,AB3_oP16_62_c_cd:Ru-Y,16.0,AB3_oP16_62_c_cd:Ru-Y +mp-1207826,Y11Ge10,-6.4632027260000005,-0.8745617356000001,0.0139477306,0.0139477306,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Y,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Y +mp-1216102,Y2Ge3,-5.858026266,-0.4976211077,0.2626734227,0.2626734227,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Y,5.0,A3B2_hP5_187_abc_i:Ge-Y +mp-29772,YGe3,-5.5450983025,-0.4612096329,0.0195786013,0.0195786013,GGA,Cmcm,A3B_oC16_63_3c_c:Ge-Y,8.0,A3B_oC16_63_3c_c:Ge-Y +mp-1187866,YRu3,-8.366452435,0.2059672483,0.4417836913,0.4417836913,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-Y,4.0,A3B_cP4_221_c_a:Ru-Y +mp-17118,Y3Ge5,-6.0355014281,-0.7211823513000001,0.0,-0.0168124581,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Y,16.0,"Invalid WP multiplicities - A5B3_oF64_43_a3b_ab:Ge-Y, expected Y3Ge7 to be Y3Ge5" +mp-1104898,Y5Ru2,-7.602215885,-0.3334786498,0.0,-0.0266750403,GGA,C2/c,A2B5_mC28_15_f_e2f:Ru-Y,14.0,A2B5_mC28_15_f_e2f:Ru-Y +mp-10213,YGe2,-5.7699996933,-0.5324907522,0.1085602267,0.1085602267,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Y,6.0,A2B_tI12_141_e_a:Ge-Y +mp-13360,Y5Ge4,-6.5276530919,-0.8804900934000001,0.0,-0.0132224617,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Y,36.0,A4B5_oP36_62_2cd_c2d:Ge-Y +mp-1207905,Y2Ge2Ru,-7.10370638,-0.8130262847,0.0,-0.056831671,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Y,10.0,A2BC2_mC20_12_2i_i_2i:Ge-Ru-Y +mp-568186,YRu2,-8.6528473217,-0.3144219239,0.0,-0.158798554,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ru-Y,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Ru-Y, expected YRu4 to be YRu2" +mp-9971,YGe,-6.43927348,-0.8945239958000001,0.0,-0.0373541532,GGA,Cmcm,AB_oC8_63_c_c:Ge-Y,4.0,AB_oC8_63_c_c:Ge-Y +mp-17751,Y5Ge3,-6.6083770681,-0.8331971767,0.0,-0.0902836603,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Y,16.0,A3B5_hP16_193_g_dg:Ge-Y +mp-17381,Y3Ge4,-6.2180691293,-0.8049941636,0.0,-0.0095225361,GGA,Cmcm,A4B3_oC28_63_acf_cf:Ge-Y,14.0,A4B3_oC28_63_acf_cf:Ge-Y +mp-2399,YHg,-3.901356785,-0.5162810458,0.0,-0.2171289142,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Y,2.0,AB_cP2_221_a_b:Hg-Y +mp-1096471,YAg2Hg,-1.7868547575,1.3219611138,1.6329670799,1.6329670799,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Hg-Y,4.0,A2BC_oI8_71_e_a_b:Ag-Hg-Y +mp-865502,YAgHg2,-2.8242320750000003,-0.3476351133,0.0,-0.0144654225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Y +mp-30726,YHg3,-2.2067068875,-0.3623288354,0.0,-0.0631767037,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Y,8.0,A3B_hP8_194_h_c:Hg-Y +mp-1187816,YAg3,-3.97459785,-0.2335630692,0.0408137498,0.0408137498,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Y,4.0,A3B_tI8_139_ad_b:Ag-Y +mp-1187811,YAg3,-3.9684313825,-0.2273966017,0.0469802173,0.0469802173,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-Y,4.0,A3B_cF16_225_ac_b:Ag-Y +mp-2474,YAg,-4.9793670500000005,-0.3298534917,0.0,-0.0791499242,GGA,Pm-3m,AB_cP2_221_a_b:Ag-Y,2.0,AB_cP2_221_a_b:Ag-Y +mp-1093613,Y2AgHg,-2.125068125,1.8922265238,2.318922645,2.3152937925,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Hg-Y +mp-1187701,Y2AgHg,-4.44399077,-0.4266961212,0.0,-0.0036288525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Y +mp-30725,YHg2,-2.7568134567,-0.3988695089,0.01477673,0.01477673,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-Y,3.0,A2B_hP3_191_c_b:Hg-Y +mp-1216365,Y14Ag51,-3.8647429334,-0.2494975217,0.0,-0.0335067559,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Ag-Y,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Ag-Y, expected Y14Ag71 to be Y14Ag51" +mp-999544,YAg2,-4.3781324633,-0.3342714233,0.0,-0.0514732294,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Y,3.0,A2B_tI6_139_e_a:Ag-Y +mp-866161,VRh3,-8.17414983,-0.37994241,0.0,-0.1398534367,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-V,8.0,A3B_hP8_194_h_c:Rh-V +mp-1185,VRh3,-8.15920074,-0.36499332,0.01494909,-0.1249043467,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-V,4.0,A3B_cP4_221_c_a:Rh-V +mp-1578,V3Rh,-8.9757489838,-0.3217424638,0.0,-0.128661435,GGA,Pm-3n,AB3_cP8_223_a_c:Rh-V,8.0,AB3_cP8_223_a_c:Rh-V +mp-1221,V3Ge,-8.3037111688,-0.3350246525,0.0,-0.0881984488,GGA,Pm-3n,AB3_cP8_223_a_c:Ge-V,8.0,AB3_cP8_223_a_c:Ge-V +mp-672337,VGe3,-5.5211764662,0.2170709425,0.3678941884,0.3678941884,GGA,Pm-3n,A3B_cP8_223_c_a:Ge-V,8.0,A3B_cP8_223_c_a:Ge-V +mp-1084800,VGe2,-6.2785215933,-0.1685343333,0.0325633279,0.0325633279,GGA,P6_222,A2B_hP9_180_i_c:Ge-V,9.0,A2B_hP9_180_i_c:Ge-V +mp-971751,VRh,-8.6102690275,-0.3861620575,0.0,-0.0353196206,GGA,Cmmm,AB_oC8_65_g_j:Rh-V,4.0,AB_oC8_65_g_j:Rh-V +mp-1251,VRh,-8.584676355,-0.360569385,0.0255926725,-0.0097269481,GGA,P4/mmm,AB_tP2_123_a_d:Rh-V,2.0,AB_tP2_123_a_d:Rh-V +mp-1105285,V5Ge3,-7.781316045,-0.3702393056,0.0,-0.0248010215,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Ge-V,16.0,A3B5_tI32_140_ah_bk:Ge-V +mp-20916,V5Ge3,-7.723341865,-0.3122651256,0.05797418,0.0331731585,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-V,16.0,A3B5_hP16_193_g_dg:Ge-V +mp-1216486,V3Rh5,-8.369290655,-0.36013346,0.0229187737,0.0229187737,GGA,Amm2,A5B3_oC16_38_ade_a2b:Rh-V,8.0,A5B3_oC16_38_ade_a2b:Rh-V +mp-1199253,V11Ge8,-7.5549164437,-0.3492748853,0.0,-0.0063163706,GGA,Pnma,A8B11_oP76_62_6cd_7c2d:Ge-V,76.0,A8B11_oP76_62_6cd_7c2d:Ge-V +mp-2647074,V,-8.83012135,0.25378472,0.25378472,0.25378472,GGA,P6_3/mmc,A_hP2_194_c:V,2.0,A_hP2_194_c:V +mp-8632,V,-8.83676567,0.2471403999999999,0.2471403999999999,0.2471403999999999,GGA,Fm-3m,A_cF4_225_a:V,1.0,A_cF4_225_a:V +mp-146,V,-9.08390607,0.0,0.0,0.0,GGA,Im-3m,A_cI2_229_a:V,1.0,A_cI2_229_a:V +mp-680383,V17Ge31,-6.4030415978,-0.2001193749,0.0135468901,0.0135468901,GGA,P-4n2,A31B17_tP192_118_f15i_ac8e8h:Ge-V,192.0,"Invalid WP multiplicities - A31B17_aP4_1_60a_36a:Ge-V, expected V3Ge5 to be V17Ge31" +mp-1196900,Sm3Co4Sn13,-5.093421181,-0.357747996,0.0,-0.0380137397,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Sm-Sn,40.0,A4B3C13_cP40_223_e_c_ak:Co-Sm-Sn +mp-22002,Sm3Co6Sn5,-5.8289030964,-0.3393656357,0.028086374,0.028086374,GGA,Immm,A6B3C5_oI28_71_fm_ai_bm:Co-Sm-Sn,14.0,"Invalid WP multiplicities - A6B3C5_oI28_71_f2m_ai_b2m:Co-Sm-Sn, expected Sm3Co10Sn9 to be Sm3Co6Sn5" +mp-1209134,Sm12Co6Sn,-5.6481540789,-0.2122323818,0.0,-0.0250563456,GGA,Im-3,A6B12C_cI38_204_e_g_a:Co-Sm-Sn,19.0,A6B12C_cI38_204_e_g_a:Co-Sm-Sn +mp-1209038,Sm6Co2Sn,-5.43136369,-0.2605054394,0.0315691889,0.0315691889,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Sm-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Sm-Sn +mp-1209183,Sm3(Co2Sn)4,-6.096113009,-0.2920737967,0.0278075984,0.0278075984,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Sm-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Sm-Sn +mp-1096634,Li2CdPt,-1.6863468025,1.0166204008,1.4721728462,1.4721728462,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Li-Pt,4.0,AB2C_oI8_71_a_e_b:Cd-Li-Pt +mp-1184966,Li2CdPt,-3.1564802975,-0.4535130942,0.0020393512,0.0020393512,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Pt,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Pt +mp-867206,LiCd2Pt,-2.8844147125,-0.4279557858,0.0,-0.1085458638,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Pt,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Pt +mp-1105092,Eu3P4,-8.5370383714,-1.047864739,0.0,-0.1104649689,GGA,Fdd2,A3B4_oF56_43_ab_2b:Eu-P,14.0,A3B4_oF56_43_ab_2b:Eu-P +mp-1079534,EuP3,-7.3077164213,-0.6834890913,0.0,-0.0497299534,GGA,C2/m,AB3_mC16_12_i_ij:Eu-P,8.0,AB3_mC16_12_i_ij:Eu-P +mp-1188909,EuP3,-7.3003608631,-0.6761335331,0.0073555581,-0.0423743953,GGA,C2/m,AB3_mC32_12_2i_2i2j:Eu-P,16.0,AB3_mC32_12_2i_2i2j:Eu-P +mp-12636,PRu,-7.906467905,-0.5626153817,0.0,-0.0531978775,GGA,Pnma,AB_oP8_62_c_c:P-Ru,8.0,AB_oP8_62_c_c:P-Ru +mp-27173,P4Ru,-6.6326986007,-0.4471760873,0.0,-0.0280419918,GGA,P-1,A4B_aP15_2_6i_ai:P-Ru,15.0,"Invalid WP multiplicities - A4B_aP15_2_7i_ai:P-Ru, expected P14Ru3 to be P4Ru" +mp-1080439,P4Ru,-6.616830772,-0.4313082587,0.0158678287,-0.0121741632,GGA,P2_1/c,A4B_mP10_14_2e_a:P-Ru,10.0,A4B_mP10_14_2e_a:P-Ru +mp-1413,P2Ru,-7.3095735833,-0.6092377322,0.0,-0.0724208587,GGA,Pnnm,A2B_oP6_58_g_a:P-Ru,6.0,A2B_oP6_58_g_a:P-Ru +mp-28400,P3Ru,-6.9024951344000005,-0.5239176194,0.0,-0.0159684152,GGA,P-1,A3B_aP16_2_6i_2i:P-Ru,16.0,A3B_aP16_2_6i_2i:P-Ru +mp-21911,PRu2,-8.3969664717,-0.4095972761,0.0,-0.034520355,GGA,Pnma,AB2_oP12_62_c_2c:P-Ru,12.0,AB2_oP12_62_c_2c:P-Ru +mp-1195922,EuP7,-6.3626501353,-0.343885217,0.0,-0.0021406714,GGA,P2_1/c,AB7_mP32_14_e_7e:Eu-P,32.0,AB7_mP32_14_e_7e:Eu-P +mp-22788,Eu(PRu)2,-8.891361248,-0.9648788693,0.0,-0.303534887,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Eu-P-Ru +mp-865685,Eu3P,-9.4790840813,-0.4330071046,0.0864749162,0.0864749162,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-P,8.0,A3B_hP8_194_h_c:Eu-P +mp-20300,EuP,-8.874116195,-1.0389640417,0.0,-0.122082395,GGA,Fm-3m,AB_cF8_225_a_b:Eu-P,2.0,AB_cF8_225_a_b:Eu-P +mp-1188524,Eu(P3Ru)4,-7.2342702876,-0.6275501676,0.0,-0.0116429171,GGA,Im-3,AB12C4_cI34_204_a_g_c:Eu-P-Ru,17.0,AB12C4_cI34_204_a_g_c:Eu-P-Ru +mp-1185131,LaPmMg2,-3.3218215925,-0.1000442106,0.007641875,0.007641875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:La-Mg-Pm +mp-1104829,Nb5SnSe8,-6.8881178164,-0.9964471824,0.0735095076,0.0735095076,GGA,C2/m,A5B8C_mC28_12_a2i_4i_d:Nb-Se-Sn,14.0,A5B8C_mC28_12_a2i_4i_c:Nb-Se-Sn +mp-1220424,Nb6SnSe8,-7.1712378787,-0.9989249509,0.0595894537,0.0595894537,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-Se-Sn,15.0,A6B8C_hP15_147_g_dg_a:Nb-Se-Sn +mp-9429,USe3,-6.7310927975,-1.2863066868,0.0,-0.1975266623,GGA,P2_1/m,A3B_mP8_11_3e_e:Se-U,8.0,A3B_mP8_11_3e_e:Se-U +mp-1201621,La2USe5,-6.8590890056,-2.0287163046,0.0,-0.0385127429,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-Se-U,32.0,A2B5C_oP32_62_d_3cd_c:La-Se-U +mp-2143,USe,-8.61740498,-1.2237442362,0.0,-0.0074686708,GGA,Fm-3m,AB_cF8_225_a_b:Se-U,2.0,AB_cF8_225_a_b:Se-U +mp-20328,U3Se4,-8.1910171979,-1.3541777778,0.0379853457,0.0379853457,GGA,I-43d,A4B3_cI28_220_c_a:Se-U,14.0,A4B3_cI28_220_c_a:Se-U +mp-1185171,LaU3,-9.1427549012,0.5598043825,0.5598043825,0.5598043825,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-U,8.0,AB3_hP8_194_c_h:La-U +mp-1185105,LaU3,-9.13190338,0.5706559037,0.5706559037,0.5706559037,GGA,Pm-3m,AB3_cP4_221_a_c:La-U,4.0,AB3_cP4_221_a_c:La-U +mp-669684,U3Se5,-7.8729701778,-1.4537467505,0.0126291055,0.0126291055,GGA,Pnma,A5B3_oP32_62_3cd_cd:Se-U,32.0,A5B3_oP32_62_3cd_cd:Se-U +mp-1189525,U3Se5,-7.7394001087,-1.3201766815,0.1461991746,0.1461991746,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Se-U,16.0,A5B3_tI32_140_bk_ah:Se-U +mp-600216,U2Se3,-8.073641569,-1.4595306784,0.0,-0.0517844308,GGA,Pnma,A3B2_oP20_62_3c_2c:Se-U,20.0,"Invalid WP multiplicities - A3B2_oP20_62_8c_5c:Se-U, expected U5Se8 to be U2Se3" +mp-1217188,U7Se12,-7.8260321147,-1.458094862,0.0100823565,0.0100823565,GGA,P-6,A12B7_hP19_174_2j2k_ajk:Se-U,19.0,A12B7_hP19_174_2j2k_ajk:Se-U +mp-685220,U11Se20,-7.7263942758,-1.4643381576,0.0075580029,-0.0087161328,GGA,P4nc,A20B11_tP62_104_5c_ab2c:Se-U,62.0,"Invalid WP multiplicities - A20B11_tP62_104_26c_2a2b11c:Se-U, expected U25Se52 to be U11Se20" +mp-1217494,U11Se20,-7.7339522787,-1.4718961605,0.0,-0.0162741357,GGA,P4,A20B11_tP31_75_2c4d_2ab2d:Se-U,31.0,"Invalid WP multiplicities - A20B11_tP31_75_3c12d_2ab6d:Se-U, expected USe2 to be U11Se20" +mp-8591,USe2,-7.5141443656,-1.4197333771,0.0319733221,0.0140931478,GGA,P-62m,A2B_hP9_189_fg_ad:Se-U,9.0,A2B_hP9_189_fg_ad:Se-U +mp-20077,USe2,-7.51199703,-1.4175860416,0.0341206577,0.0162404833,GGA,Pnma,A2B_oP12_62_2c_c:Se-U,12.0,A2B_oP12_62_2c_c:Se-U +mp-684555,USe2,-7.5461176877,-1.4517066992,0.0,-0.0178801743,GGA,P4/n,A2B_tP30_85_ab2g_cg:Se-U,30.0,"Invalid WP multiplicities - A2B_tP30_85_ab4g_2c2g:Se-U, expected U5Se9 to be USe2" +mp-35651,La2USe4,-6.9782395436,-1.9572295249,0.0447700277,0.0447700277,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-Se-U,14.0,A2B4C_tI28_122_d_e_a:La-Se-U +mp-1194475,La2U2Se9,-6.6119197608,-1.6951476432,0.0011198817,0.0011198817,GGA,Pmma,A2B9C2_oP26_51_2f_egijk_i:La-Se-U,26.0,A2B9C2_oP26_51_2f_egijk_i:La-Se-U +mp-1097394,La2ZnCd,-1.030713955,1.98294794,2.303136105,2.303136105,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-La-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-La-Zn +mp-1096062,LaZn2Cd,-0.69733402,1.3972620013,1.7478014388,1.7478014388,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-La-Zn,4.0,ABC2_oI8_71_a_b_e:Cd-La-Zn +mp-569281,HoB4,-6.8515529855,-0.5915577948,0.0,-0.1454029915,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Ho,20.0,"Invalid WP multiplicities - A4B_tP20_127_2e3g4i_h:B-Ho, expected HoB13 to be HoB4" +mp-2985,HoB2Ru3,-8.10514286,-0.4777428547,0.0,-0.0168797848,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ho-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Ho-Ru +mp-1198017,Ho2B6Ru,-7.1920047725,-0.6902746719,0.0,-0.0643741183,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Ho-Ru,36.0,A6B2C_oP36_55_6h_2g_g:B-Ho-Ru +mp-1181033,HoB2Ru,-7.4259578369,-0.622059099,0.0,-0.018195739,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ho-Ru,16.0,A2BC_oP16_62_d_c_c:B-Ho-Ru +mp-505535,B8Ru11,-8.3229422779,-0.1411758512,0.0915809954,0.0915809954,GGA,Pbam,A8B11_oP38_55_g3h_a3g2h:B-Ru,38.0,A8B11_oP38_55_g3h_a3g2h:B-Ru +mp-13854,B3Ru2,-8.049074585,-0.3316785065,0.0,-0.0727362266,GGA,P6_3/mmc,A3B2_hP10_194_cf_f:B-Ru,10.0,A3B2_hP10_194_cf_f:B-Ru +mp-1077,B2Ru,-7.830300285,-0.2859049244,0.0,-0.009506169,GGA,Pmmn,A2B_oP6_59_e_a:B-Ru,6.0,A2B_oP6_59_e_a:B-Ru +mp-1204787,Ho(BRu)4,-8.0993394089,-0.4996076185,0.0,-0.0595633844,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Ho-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Ho-Ru +mp-2267,HoB2,-6.5729285567,-0.5925310861,0.0,-0.0995662571,GGA,P6/mmm,A2B_hP3_191_c_b:B-Ho,3.0,A2B_hP3_191_c_b:B-Ho +mp-17535,B3Ru7,-8.6335096885,-0.1376103792,0.028228874,0.028228874,GGA,P6_3mc,A3B7_hP20_186_c_b2c:B-Ru,20.0,A3B7_hP20_186_c_b2c:B-Ru +mp-974392,HoB4Ru,-7.4049817029,-0.6425852874,0.0,-0.049442664,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Ru +mp-1104585,HoB12,-6.7691349777,-0.2510495838,0.0,-0.0235273551,GGA,Fm-3m,A12B_cF52_225_h_b:B-Ho,13.0,A12B_cF52_225_h_b:B-Ho +mp-1213627,Ho(BRu)2,-6.857727924,0.4402715743,0.9757409268,0.9757409268,GGA,I4_1/acd,A2BC2_tI80_142_g_c_g:B-Ho-Ru,40.0,A2BC2_tI80_142_g_c_g:B-Ho-Ru +mp-1183231,BRu3,-8.1596338075,0.4660160402,0.6042154179,0.6042154179,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Ru,8.0,AB3_hP8_194_c_h:B-Ru +mp-571491,HoB6,-6.7632448957,-0.3834221107,0.0500425862,0.0500425862,GGA,Pm-3m,A6B_cP7_221_e_b:B-Ho,7.0,A6B_cP7_221_e_b:B-Ho +mp-1214978,BRu,-7.1586745025,0.8182226529000001,1.0946214083,1.0946214083,GGA,Cmmm,AB_oC8_65_g_g:B-Ru,8.0,AB_oC8_65_g_g:B-Ru +mp-31257,Mo15S19,-8.0214222731,-0.9250311225,0.0821551044,0.0821551044,GGA,P6_3/m,A15B19_hP68_176_h2i_efh2i:Mo-S,68.0,"Invalid WP multiplicities - A15B19_hP68_176_h2i_efh5i:Mo-S, expected Mo15S37 to be Mo15S19" +mp-673645,Mo7S8,-8.105233239,-0.8378232587000001,0.1234211403,0.1234211403,GGA,P1,A7B8_aP30_1_14a_16a:Mo-S,30.0,A7B8_aP30_1_14a_16a:Mo-S +mp-1627,Mo2S3,-7.8059892,-0.9858592359,0.095540713,0.095540713,GGA,P2_1/m,A2B3_mP10_11_2e_3e:Mo-S,10.0,A2B3_mP10_11_2e_3e:Mo-S +mp-1210708,Mo21S8,-9.2150158421,-0.2201795922,0.2770157866,0.2770157866,GGA,I4/m,A21B8_tI58_87_a5h_2h:Mo-S,29.0,A21B8_tI58_87_a5h_2h:Mo-S +mp-1239183,MoS3,-5.2181718225,0.5955781052,1.4967447292,1.4967447292,GGA,P1,AB3_aP4_1_a_3a:Mo-S,4.0,AB3_aP4_1_a_3a:Mo-S +mp-1239203,MoS3,-6.1127644425,-0.2990145148,0.6021521092000001,0.6021521092000001,GGA,Pm,AB3_mP4_6_a_a2b:Mo-S,4.0,AB3_mP4_6_a_a2b:Mo-S +mp-1239169,MoS3,-6.4119848038,-0.5982348761,0.302931748,0.302931748,GGA,P2_1/m,AB3_mP8_11_e_3e:Mo-S,8.0,AB3_mP8_11_e_3e:Mo-S +mp-990083,MoS2,-7.408048628,-1.03519868,0.1663568187,-0.2136493168,GGA,Pmmn,AB2_oP54_59_4a5b_9e:Mo-S,54.0,"Invalid WP multiplicities - AB2_oP54_59_10a8b_33e:Mo-S, expected Mo3S11 to be MoS2" +mp-1042086,MoS2,-6.92690445,-0.5540545021000001,0.6475009967,0.2674948611,GGA,I-42d,AB2_tI12_122_a_d:Mo-S,6.0,AB2_tI12_122_a_d:Mo-S +mp-1434,MoS2,-7.5742056833,-1.2013557354,0.0001997633,-0.3798063722,GGA,R3m,AB2_hR9_160_a_2a:Mo-S,3.0,AB2_hR9_160_a_2a:Mo-S +mp-1023939,MoS2,-7.5733119117,-1.2004619638,0.001093535,-0.3789126005,GGA,P-3m1,AB2_hP6_164_d_2d:Mo-S,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Mo-S, expected MoS3 to be MoS2" +mp-1027525,MoS2,-7.5738161633,-1.2009662154,0.0005892833,-0.3794168522,GGA,P-3m1,AB2_hP12_164_2d_4d:Mo-S,12.0,"Invalid WP multiplicities - AB2_hP12_164_3d_7d:Mo-S, expected Mo3S7 to be MoS2" +mp-1238797,MoS2,-7.2964077133,-0.9235577654,0.2779977333,-0.1020084022,GGA,P-3m1,AB2_hP3_164_a_d:Mo-S,3.0,AB2_hP3_164_a_d:Mo-S +mp-558544,MoS2,-7.29468826,-0.9218383121,0.2797171867,-0.1002889489,GGA,R-3m,AB2_hR9_166_a_c:Mo-S,3.0,AB2_hR9_166_a_c:Mo-S +mp-1025874,MoS2,-7.57363758,-1.2007876321,0.0007678667,-0.3792382689,GGA,P-6m2,AB2_hP9_187_ah_2gh:Mo-S,9.0,"Invalid WP multiplicities - AB2_hP9_187_ah_4g2h:Mo-S, expected MoS4 to be MoS2" +mp-1023924,MoS2,-7.5723908833,-1.1995409354,0.0020145633,-0.3779915722,GGA,P-6m2,AB2_hP3_187_a_h:Mo-S,3.0,AB2_hP3_187_a_h:Mo-S +mp-1018809,MoS2,-7.573130095,-1.2002801471,0.0012753517,-0.3787307839,GGA,P6_3/mmc,AB2_hP6_194_b_f:Mo-S,6.0,AB2_hP6_194_b_f:Mo-S +mp-2815,MoS2,-7.5744054467,-1.2015554988,0.0,-0.3800061355,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mo-S,6.0,AB2_hP6_194_c_f:Mo-S +mp-1405065,MoS2,-7.3068624108,-0.9340124629,0.2675430358,-0.1124630997,GGA,F-43m,AB2_cF48_216_e_2e:Mo-S,12.0,"Invalid WP multiplicities - AB2_cF48_216_e_3e:Mo-S, expected MoS3 to be MoS2" +mp-1104194,Ca(Mo3S4)2,-7.8192076267,-1.1411343283,0.019945529,0.019945529,GGA,P-1,AB6C8_aP15_2_a_3i_4i:Ca-Mo-S,15.0,AB6C8_aP15_2_a_3i_4i:Ca-Mo-S +mp-1182754,Ca(Mo3S4)2,-7.3109046307,-0.6328313323,0.5282485250000001,0.5282485250000001,GGA,P-1,AB6C8_aP15_2_a_3i_4i:Ca-Mo-S,15.0,"Invalid WP multiplicities - AB6C8_aP15_2_a_6i_7i:Ca-Mo-S, expected Ca(Mo6S7)2 to be Ca(Mo3S4)2" +mp-8530,Ca(Mo3S4)2,-7.821901326,-1.1438280277,0.0172518297,0.0172518297,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ca-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Ca-Mo-S +mp-1672,CaS,-5.470957435,-2.3999325616,0.0,-2.3999325616,GGA,Fm-3m,AB_cF8_225_a_b:Ca-S,2.0,AB_cF8_225_a_b:Ca-S +mp-1211453,MoS6,-4.3161759157,0.7787311287,1.2936834854,1.2936834854,GGA,Cmmm,AB6_oC14_65_a_kp:Mo-S,7.0,AB6_oC14_65_a_kp:Mo-S +mp-1104577,Mo3S4,-7.9312846457,-0.9194632461,0.1104414671,0.1104414671,GGA,P-1,A3B4_aP14_2_3i_4i:Mo-S,14.0,A3B4_aP14_2_3i_4i:Mo-S +mp-1181164,Mo3S4,-7.3492810714,-0.3374596718,0.6924450414000001,0.6924450414000001,GGA,P-1,A3B4_aP14_2_3i_4i:Mo-S,14.0,"Invalid WP multiplicities - A3B4_aP14_2_6i_7i:Mo-S, expected Mo6S7 to be Mo3S4" +mp-2164,Mo3S4,-7.9769145307,-0.9650931311,0.0648115821,0.0648115821,GGA,R-3,A3B4_hR42_148_f_cf:Mo-S,14.0,A3B4_hR42_148_f_cf:Mo-S +mp-1202288,CeErS3,-6.9264956317,-2.3444641186,0.0116514616,0.0116514616,GGA,P2_1/m,ABC3_mP40_11_4e_4e_12e:Ce-Er-S,40.0,ABC3_mP40_11_4e_4e_12e:Ce-Er-S +mp-638813,CeErS3,-6.9229092723,-2.3408777592,0.015237821,0.015237821,GGA,Pnma,ABC3_oP60_62_3c_3c_9c:Ce-Er-S,60.0,"Invalid WP multiplicities - ABC3_oP60_62_7c_11c_33c:Ce-Er-S, expected Ce7(ErS3)11 to be CeErS3" +mp-1189064,Ce(ErS2)3,-6.815435338,-2.3699408594,0.0,-0.0129612473,GGA,P2_1/m,AB3C6_mP20_11_e_3e_6e:Ce-Er-S,20.0,AB3C6_mP20_11_e_3e_6e:Ce-Er-S +mp-13567,CeS2,-6.7927991525,-2.0574695229,0.0,-0.0409966709,GGA,P2_1/c,AB2_mP12_14_e_2e:Ce-S,12.0,AB2_mP12_14_e_2e:Ce-S +mp-20594,CeS2,-6.7770032771,-2.0416736475,0.0157958754,-0.0252007955,GGA,Pnma,AB2_oP24_62_d_2cd:Ce-S,24.0,AB2_oP24_62_d_2cd:Ce-S +mp-1018663,CeS2,-6.7790489583,-2.0437193288,0.0137501942,-0.0272464768,GGA,P4/nmm,AB2_tP6_129_c_ac:Ce-S,6.0,AB2_tP6_129_c_ac:Ce-S +mp-1623,ErS,-6.55391644,-2.2018321016,0.0,-0.1869431207,GGA,Fm-3m,AB_cF8_225_a_b:Er-S,2.0,AB_cF8_225_a_b:Er-S +mp-645688,Ce10S19,-6.8419870545,-2.0860063986,0.0181864862,0.0181864862,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Ce-S,58.0,"Invalid WP multiplicities - A10B19_tP58_86_4e11g_2a3e23g:Ce-S, expected Ce13S25 to be Ce10S19" +mp-1095508,Er5S7,-6.6668490708,-2.350703811,0.0,-0.0116613978,GGA,C2/m,A5B7_mC24_12_a2i_d3i:Er-S,12.0,A5B7_mC24_12_a2i_c3i:Er-S +mp-1382,Ce3S4,-7.2175923121,-2.3111541789,0.0083993021,0.0083993021,GGA,I-43d,A3B4_cI28_220_a_c:Ce-S,14.0,A3B4_cI28_220_a_c:Ce-S +mp-1183858,CeS3,-5.91248939,-1.3268797011,0.2162224411,0.2162224411,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-S,4.0,AB3_tI8_139_a_bd:Ce-S +mp-1226916,Ce5S8,-6.9783781677,-2.15091319,0.115014409,0.115014409,GGA,F-43m,A5B8_cF52_216_ae_2e:Ce-S,13.0,A5B8_cF52_216_ae_2e:Ce-S +mp-1101873,ErS2,-6.309890855,-2.0296846737,0.0,-0.0576142775,GGA,P2_1/c,AB2_mP12_14_e_2e:Er-S,12.0,AB2_mP12_14_e_2e:Er-S +mp-1018687,ErS2,-6.2569959083,-1.9767897271,0.0528949467,-0.0047193308,GGA,P4/nmm,AB2_tP6_129_c_ac:Er-S,6.0,AB2_tP6_129_c_ac:Er-S +mp-16331,ErS2,-4.6126879783,-0.3324817971,1.6972028767,1.6395885992,GGA,Fd-3m,AB2_cF24_227_a_d:Er-S,6.0,AB2_cF24_227_a_d:Er-S +mp-2234,Er2S3,-6.6754419197,-2.3664844755,0.0,-0.079984492,GGA,P2_1/m,A2B3_mP30_11_6e_9e:Er-S,30.0,A2B3_mP30_11_6e_9e:Er-S +mp-9092,Er2S3,-6.666764373,-2.3578069289,0.0086775467,-0.0713069453,GGA,P2_1/m,A2B3_mP20_11_4e_6e:Er-S,20.0,A2B3_mP20_11_4e_6e:Er-S +mp-1106290,Er2S3,-6.663048479,-2.3540910349,0.0123934407,-0.0675910513,GGA,Pnma,A2B3_oP20_62_2c_3c:Er-S,20.0,A2B3_oP20_62_2c_3c:Er-S +mp-684708,Er2S3,-6.6344678872,-2.3255104431,0.0409740324,-0.0390104596,GGA,I-42d,A2B3_tI80_122_cde_3e:Er-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Er-S, expected Er9S16 to be Er2S3" +mp-20560,CeS,-7.011513095,-1.9767435841,0.320531045,0.0455163225,GGA,P4/nmm,AB_tP4_129_c_c:Ce-S,4.0,AB_tP4_129_c_c:Ce-S +mp-1006886,CeS,-6.95991908,-1.9251495691,0.37212506,0.0971103375,GGA,Pm-3m,AB_cP2_221_a_b:Ce-S,2.0,AB_cP2_221_a_b:Ce-S +mp-1096,CeS,-7.33204414,-2.2972746291,0.0,-0.2750147225,GGA,Fm-3m,AB_cF8_225_a_b:Ce-S,2.0,AB_cF8_225_a_b:Ce-S +mp-1226714,CeEr4S7,-6.7440960667,-2.3141699447,0.0408731647,0.0408731647,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Ce-Er-S,12.0,AB4C7_mC24_8_a_4a_7a:Ce-Er-S +mp-1213853,Ce4(ErS2)11,-6.8259679135,-2.367071681,0.0,-0.0015258049,GGA,C2/m,A4B11C22_mC74_12_2i_a5i_11i:Ce-Er-S,37.0,A4B11C22_mC74_12_2i_a5i_11i:Ce-Er-S +mp-20973,Ce2S3,-7.183570604,-2.3284650219,0.0,-0.0934162397,GGA,Pnma,A2B3_oP20_62_2c_3c:Ce-S,20.0,A2B3_oP20_62_2c_3c:Ce-S +mp-32629,Ce2S3,-7.1496118963,-2.2945063141,0.0339587078,-0.059457532,GGA,I-42d,A2B3_tI80_122_cde_3e:Ce-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_16e:Ce-S, expected Ce17S32 to be Ce2S3" +mp-1225577,Er4CdS7,-6.0848987033,-2.0724891977,0.0559909461,0.0559909461,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cd-Er-S,12.0,AB4C7_mC24_8_a_4a_7a:Cd-Er-S +mp-532059,Er2CdS4,-5.7207870767,-1.9201975271,0.0382795226,0.0226741995,GGA,R3m,AB2C4_hR210_160_10a_5a5b_10a10b:Cd-Er-S,70.0,"Invalid WP multiplicities - AB2C4_hR210_160_10a_5a13b_10a26b:Cd-Er-S, expected Er22Cd5S44 to be Er2CdS4" +mp-3041,Er2CdS4,-5.7590665993,-1.9584770496,0.0,-0.0156053231,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Er-S,14.0,AB2C4_cF56_227_a_d_e:Cd-Er-S +mp-1120762,Cd2S,-2.3608809067,-0.3668044444,0.222422125,0.222422125,GGA,P3m1,A2B_hP3_156_ab_a:Cd-S,3.0,A2B_hP3_156_ab_a:Cd-S +mp-1095440,CdS2,-3.7246795483,-0.6594163837,0.0,-0.0701898144,GGA,Pa-3,AB2_cP12_205_a_c:Cd-S,12.0,AB2_cP12_205_a_c:Cd-S +mp-1181862,CdS,-3.2793313025,-0.7496614891000001,0.134178365,-0.236551075,GGA,Pmmn,AB_oP4_59_a_b:Cd-S,4.0,AB_cF8_225_a_b:Cd-S +mp-1021511,CdS,-3.16119106,-0.6315212466,0.2523186075,-0.1184108325,GGA,P3m1,AB_hP2_156_a_b:Cd-S,2.0,AB_hP2_156_a_b:Cd-S +mp-672,CdS,-3.4135096675,-0.8838398541,0.0,-0.37072944,GGA,P6_3mc,AB_hP4_186_b_b:Cd-S,4.0,AB_hP4_186_b_b:Cd-S +mp-2469,CdS,-3.412048685,-0.8823788716000001,0.0014609825,-0.3692684575,GGA,F-43m,AB_cF8_216_a_c:Cd-S,2.0,AB_cF8_216_a_c:Cd-S +mp-370,CdS,-3.2801029550000003,-0.7504331416000001,0.1334067125,-0.2373227275,GGA,Fm-3m,AB_cF8_225_a_b:Cd-S,2.0,AB_cF8_225_a_b:Cd-S +mp-753921,Sb11S18,-4.5962706076,-0.4626460819,0.0599534741,0.0599534741,GGA,P1,A18B11_aP29_1_18a_11a:S-Sb,29.0,A18B11_aP29_1_18a_11a:S-Sb +mp-7819,Pd4S,-5.249511162,-0.2783157406,0.0,-0.006702918,GGA,P-42_1c,A4B_tP10_114_e_a:Pd-S,10.0,A4B_tP10_114_e_a:Pd-S +mp-13682,PdS2,-5.0895737367,-0.6053132221,0.0,-0.2023670173,GGA,Pbca,AB2_oP12_61_a_c:Pd-S,12.0,AB2_oP12_61_a_c:Pd-S +mp-1219468,SbPd6S,-5.1294826037,-0.2113898579,0.172725535,0.172725535,GGA,R-3m,A6BC_hR24_166_3c_a_b:Pd-S-Sb,8.0,"Invalid WP multiplicities - A6BC_hR24_166_4c_a_b:Pd-S-Sb, expected SbPd8S to be SbPd6S" +mp-1065860,SbS,-4.5092822525,-0.3765566991,0.0826974563,0.0826974563,GGA,P-1,AB_aP4_2_i_i:S-Sb,4.0,AB_aP4_2_i_i:S-Sb +mp-1042075,SbS2,-4.3346863433,-0.2007193521,0.2585348032,0.2585348032,GGA,I-42d,A2B_tI12_122_d_a:S-Sb,6.0,A2B_tI12_122_d_a:S-Sb +mp-1359089,Sb2S5,-4.4478462021,-0.3135245144,0.0801219045,0.0801219045,GGA,P2_1/c,A5B2_mP28_14_5e_2e:S-Sb,28.0,A5B2_mP28_14_5e_2e:S-Sb +mp-1186463,PdS3,-4.43216679,-0.0348589373,0.4191259792,0.4191259792,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-S,4.0,AB3_tI8_139_a_bd:Pd-S +mp-1189633,Sb2S3,-4.6839684315,-0.5504980154,0.000606971,-0.0803848902,GGA,Pmn2_1,A3B2_oP20_31_6a_4a:S-Sb,20.0,A3B2_oP20_31_6a_4a:S-Sb +mp-2809,Sb2S3,-4.6845754025,-0.5511049864,0.0,-0.0809918612,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Sb,20.0,A3B2_oP20_62_3c_2c:S-Sb +mp-20250,PdS,-5.2625851456,-0.6044193072,0.0,-0.0937646684,GGA,P4_2/m,AB_tP16_84_cej_k:Pd-S,16.0,AB_tP16_84_cej_k:Pd-S +mp-767208,Sb17S27,-4.6143695027,-0.4807975144,0.051519802,0.051519802,GGA,P1,A27B17_aP44_1_27a_17a:S-Sb,44.0,A27B17_aP44_1_27a_17a:S-Sb +mp-1102284,SbPdS,-5.1032037008,-0.6214260619,0.0,-0.061280116,GGA,P2_13,ABC_cP12_198_a_a_a:Pd-S-Sb,12.0,ABC_cP12_198_a_a_a:Pd-S-Sb +mp-393,Pd16S7,-5.2618492596,-0.3995336931,0.0,-0.0024299955,GGA,I-43m,A16B7_cI46_217_cg_bc:Pd-S,23.0,"Invalid WP multiplicities - A16B7_cI46_217_c2g_bc:Pd-S, expected Pd4S to be Pd16S7" +mp-558378,Pd3S,-5.2585398525,-0.3395160283,0.0,-0.0031166854,GGA,Cmcm,A3B_oC16_63_ag_c:Pd-S,8.0,"Invalid WP multiplicities - A3B_oC16_63_a2g_c:Pd-S, expected Pd5S to be Pd3S" +mp-1186431,Pd3S,-4.9263827925,-0.0073589683,0.33215706,0.3290403746,GGA,Fm-3m,A3B_cF16_225_ac_b:Pd-S,4.0,A3B_cF16_225_ac_b:Pd-S +mp-22133,Eu(ZnSi)2,-5.069262762,-0.343837746,0.0,-0.0251047864,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Si-Zn,5.0,AB2C2_tI10_139_a_e_d:Eu-Si-Zn +mp-21234,EuZnSi,-6.1285794533,-0.4812249733,0.0,-0.052396026,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Eu-Si-Zn,6.0,ABC_hP6_194_a_c_d:Eu-Si-Zn +mp-554055,HoS,-5.8009884775,-1.4415591091,0.7805738325,0.5784347932,GGA,P4/mmm,AB_tP4_123_g_h:Ho-S,4.0,AB_tP4_123_g_h:Ho-S +mp-1240,HoS,-6.58156231,-2.2221329416,0.0,-0.2021390393,GGA,Fm-3m,AB_cF8_225_a_b:Ho-S,2.0,AB_cF8_225_a_b:Ho-S +mp-532508,Ho5(Mo3S4)12,-7.9989357709,-1.1235982212,0.0294785967,0.0294785967,GGA,P-1,A5B36C48_aP89_2_a2i_18i_24i:Ho-Mo-S,89.0,"Invalid WP multiplicities - A5B36C48_aP89_2_a2i_35i_47i:Ho-Mo-S, expected Ho5(Mo35S47)2 to be Ho5(Mo3S4)12" +mp-1018727,HoS2,-6.271378635,-1.9862757671,0.0,-0.0109864175,GGA,P4/nmm,AB2_tP6_129_c_ac:Ho-S,6.0,AB2_tP6_129_c_ac:Ho-S +mp-16378,HoS2,-4.6421719467,-0.3570690788,1.6292066883,1.6182202709,GGA,Fd-3m,AB2_cF24_227_a_d:Ho-S,6.0,AB2_cF24_227_a_d:Ho-S +mp-36662,Ho(Mo3S4)2,-8.0099064447,-1.1600458803,0.0160230638,0.0160230638,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ho-Mo-S,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_2c3f:Ho-Mo-S, expected Ho(Mo3S11)2 to be Ho(Mo3S4)2" +mp-1102510,Ho5S7,-6.6789256708,-2.3566595527,0.0,-0.0110147128,GGA,C2/m,A5B7_mC24_12_a2i_d3i:Ho-S,12.0,A5B7_mC24_12_a2i_c3i:Ho-S +mp-878,Ho2S3,-6.6851806877,-2.3703472195,0.0,-0.087764424,GGA,P2_1/m,A2B3_mP30_11_6e_9e:Ho-S,30.0,A2B3_mP30_11_6e_9e:Ho-S +mp-8956,Ho2S3,-6.677303393,-2.3624699249,0.0078772947,-0.0798871293,GGA,Pnma,A2B3_oP20_62_2c_3c:Ho-S,20.0,A2B3_oP20_62_2c_3c:Ho-S +mp-32787,Ho2S3,-6.6505107118,-2.3356772436,0.0346699759,-0.0530944481,GGA,I-42d,A2B3_tI80_122_cde_3e:Ho-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d4e_13e:Ho-S, expected Ho8S13 to be Ho2S3" +mp-978093,Ho2S3,-6.673019743,-2.3581862749,0.0121609447,-0.0756034793,GGA,R-3c,A2B3_hR30_167_c_e:Ho-S,10.0,A2B3_hR30_167_c_e:Ho-S +mp-1189286,Cr3C,-9.6183013831,-0.0713494075,0.0128763658,0.0128763658,GGA,Pnma,AB3_oP16_62_c_cd:C-Cr,16.0,AB3_oP16_62_c_cd:C-Cr +mp-19855,Cr7C3,-9.624419952,-0.0986870752,0.0005932424,-0.0138114181,GGA,Pnma,A3B7_oP40_62_cd_3c2d:C-Cr,40.0,A3B7_oP40_62_cd_3c2d:C-Cr +mp-1196316,Cr7C3,-9.6250131944,-0.0992803176,0.0,-0.0144046605,GGA,P6_3mc,A3B7_hP80_186_2cd_b5c2d:C-Cr,80.0,A3B7_hP80_186_2cd_b5c2d:C-Cr +mp-1226231,Cr3Ru3C2,-9.3500736712,0.0548864556,0.1170821266,0.1170821266,GGA,P-3m1,A2B3C3_hP8_164_d_ad_bd:C-Cr-Ru,8.0,"Invalid WP multiplicities - A2B3C3_hP8_164_d_a2d_b2d:C-Cr-Ru, expected Cr5Ru5C2 to be Cr3Ru3C2" +mp-1018050,CrC,-9.443865925,-0.0030094438,0.0799181175,0.0799181175,GGA,P-6m2,AB_hP2_187_a_d:C-Cr,2.0,AB_hP2_187_a_d:C-Cr +mp-579,CrC,-9.26940647,0.1714500113,0.2543775725,0.2543775725,GGA,Fm-3m,AB_cF8_225_a_b:C-Cr,2.0,AB_cF8_225_a_b:C-Cr +mp-20937,Cr3C2,-9.5828077525,-0.0995130735,0.0,-0.0144156584,GGA,Pnma,A2B3_oP20_62_2c_3c:C-Cr,20.0,A2B3_oP20_62_2c_3c:C-Cr +mp-570112,Cr3C2,-9.552400744,-0.069106065,0.0304070085,0.0159913501,GGA,Cmcm,A2B3_oC20_63_ac_cf:C-Cr,10.0,"Invalid WP multiplicities - A2B3_oC20_63_ac_2c2f:C-Cr, expected Cr3C to be Cr3C2" +mp-999259,RuC,-8.8854009925,0.3661330238,0.3661330238,0.3661330238,GGA,R-3m,AB_hR12_166_c_c:C-Ru,4.0,AB_hR12_166_c_c:C-Ru +mp-10030,RuC,-8.602106345,0.6494276713,0.6494276713,0.6494276713,GGA,P-6m2,AB_hP2_187_a_d:C-Ru,2.0,AB_hP2_187_a_d:C-Ru +mp-1009792,RuC,-8.79768955,0.4538444663,0.4538444663,0.4538444663,GGA,F-43m,AB_cF8_216_a_c:C-Ru,2.0,AB_cF8_216_a_c:C-Ru +mp-1009787,RuC,-8.341861965,0.9096720513,0.9096720513,0.9096720513,GGA,Fm-3m,AB_cF8_225_a_b:C-Ru,2.0,AB_cF8_225_a_b:C-Ru +mp-723,Cr23C6,-9.63649202,-0.0712477178,0.0,-0.0027785332,GGA,Fm-3m,A6B23_cF116_225_e_acfh:C-Cr,29.0,A6B23_cF116_225_e_acfh:C-Cr +mp-1226378,Cr2C,-9.5484045767,-0.0368177658,0.0625401371,0.0625401371,GGA,P-3m1,AB2_hP3_164_a_d:C-Cr,3.0,AB2_hP3_164_a_d:C-Cr +mp-1207261,Tm2Br2F,-4.314208498,-1.5203672032000002,0.8027522767,0.8027522767,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-F-Tm,5.0,A2BC2_tP5_123_g_a_g:Br-F-Tm +mp-23297,BrF3,-3.0852727763,-1.2634064681,0.0,-0.0548729205,GGA,Cmc2_1,AB3_oC16_36_a_3a:Br-F,8.0,AB3_oC16_36_a_3a:Br-F +mp-27987,BrF5,-3.1945522475,-1.3428150529,0.0,-0.5005440742,GGA,Cmc2_1,AB5_oC24_36_a_3ab:Br-F,12.0,"Invalid WP multiplicities - AB5_oC24_36_a_3a2b:Br-F, expected BrF7 to be BrF5" +mp-865194,TmF3,-6.6753040025,-4.122735921,0.0,-4.122735921,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Tm,4.0,A3B_tI8_139_ad_b:F-Tm +mp-1187558,TmF3,-6.6564710775,-4.103902996,0.018832925,-4.103902996,GGA,Fm-3m,A3B_cF16_225_ac_b:F-Tm,4.0,A3B_cF16_225_ac_b:F-Tm +mp-1066136,YPd,-6.7335825225,-0.9104060608,0.0,-0.0666310629,GGA,Cmcm,AB_oC8_63_c_c:Pd-Y,4.0,AB_oC8_63_c_c:Pd-Y +mp-1062893,YPd2,-6.21086528,-0.6021203689,0.2890538423,0.2890538423,GGA,I4/mmm,A2B_tI6_139_d_a:Pd-Y,3.0,A2B_tI6_139_d_a:Pd-Y +mp-559,YPd3,-6.3633796475,-0.8618505117,0.0,-0.3224497554,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-Y,4.0,A3B_cP4_221_c_a:Pd-Y +mp-1193534,YBe13,-4.1214105421,-0.1872078023,0.0,-0.1872078023,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Y,28.0,A13B_cF112_226_bi_a:Be-Y +mp-1104019,Y3Pd4,-6.6559642364,-0.9246870107,0.0,-0.0281539639,GGA,R-3,A4B3_hR42_148_abf_f:Pd-Y,14.0,A4B3_hR42_148_abf_f:Pd-Y +mp-1104388,Y3Pd2,-6.682333572,-0.73049818,0.0049532872,0.0049532872,GGA,R-3,A2B3_hR45_148_f_acf:Pd-Y,15.0,A2B3_hR45_148_f_acf:Pd-Y +mp-1207777,Y3Pd,-6.6178433644,-0.4730195769,0.0,-0.0164582144,GGA,Pnma,AB3_oP16_62_c_cd:Pd-Y,16.0,AB3_oP16_62_c_cd:Pd-Y +mp-1097231,Y2BePd,-3.21912467,2.2439345554,2.7577627079,2.7577627079,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Be-Pd-Y +mp-10564,SrN2,-6.85480172,-0.7339739522000001,0.0,-0.1259544503,GGA,I4/mmm,A2B_tI6_139_e_a:N-Sr,3.0,A2B_tI6_139_e_a:N-Sr +mp-1071980,SrN2,-4.8040603733000005,1.3167673944,2.0507413467,1.9247868963,GGA,I4_1/amd,A2B_tI12_141_e_a:N-Sr,6.0,A2B_tI12_141_e_a:N-Sr +mp-655986,SrN6,-7.8282797029,-0.4413564167,0.0568250893,-0.1267961514,GGA,P-1,A6B_aP14_2_6i_i:N-Sr,14.0,A6B_aP14_1_12a_2a:N-Sr +mp-2131,SrN6,-7.8851047921,-0.498181506,0.0,-0.1836212407,GGA,Fddd,A6B_oF56_70_eh_a:N-Sr,14.0,"Invalid WP multiplicities - A6B_oF56_70_e2h_a:N-Sr, expected SrN10 to be SrN6" +mp-11919,Sr(BeN)2,-6.367530039,-1.1992682323,0.0,-0.1600194757,GGA,I4/mcm,A2B2C_tI20_140_h_h_a:Be-N-Sr,10.0,A2B2C_tI20_140_h_h_a:Be-N-Sr +mp-1179538,Sr2N,-1.3018688033,2.6032918072,3.2698973367,3.1454208214,GGA,C2/m,AB2_mC6_12_a_i:N-Sr,3.0,AB2_mC6_12_a_i:N-Sr +mp-1245,Sr2N,-4.57176614,-0.6666055294000001,0.0,-0.1244765153,GGA,R-3m,AB2_hR9_166_a_c:N-Sr,3.0,AB2_hR9_166_a_c:N-Sr +mp-29973,SrN,-5.7171219375,-0.7041277483,0.0,-0.0038380075,GGA,C2/m,AB_mC16_12_2i_2i:N-Sr,8.0,AB_mC16_12_2i_2i:N-Sr +mp-1078609,SrN,-5.2791232,-0.2661290108,0.4379987375,0.43416073,GGA,Pnma,AB_oP8_62_c_c:N-Sr,8.0,AB_oP8_62_c_c:N-Sr +mp-1058586,SrN,-5.28279611,-0.2698019208,0.4343258275,0.43048782,GGA,Fm-3m,AB_cF8_225_a_b:N-Sr,2.0,AB_cF8_225_a_b:N-Sr +mp-685023,Sr4N3,-5.0354231729,-0.4972148031,0.1908319943,0.1908319943,GGA,P1,A3B4_aP7_1_3a_4a:N-Sr,7.0,A3B4_aP7_1_3a_4a:N-Sr +mp-1173210,Sr4N3,-5.08034224,-0.5421338702,0.1459129271,0.1459129271,GGA,C2/m,A3B4_mC14_12_ai_2i:N-Sr,7.0,"Invalid WP multiplicities - A3B4_mC14_12_a2i_4i:N-Sr, expected Sr8N5 to be Sr4N3" +mp-1218446,Sr4N3,-5.0457392629,-0.5075308931,0.1805159043,0.1805159043,GGA,C2/m,A3B4_mC14_12_ai_2i:N-Sr,7.0,A3B4_mC14_12_ai_2i:N-Sr +mp-986716,Sr3N2,-4.998848859,-0.6505548170000001,0.0310596,0.0310596,GGA,Ia-3,A2B3_cI80_206_ad_e:N-Sr,40.0,"Invalid WP multiplicities - A2B3_cI80_206_2a2d_e:N-Sr, expected Sr3N4 to be Sr3N2" +mp-1013529,Sr3N2,-4.47167891,-0.123384868,0.558229549,0.558229549,GGA,Pm-3m,A2B3_cP5_221_ab_c:N-Sr,5.0,A2B3_cP5_221_ab_c:N-Sr +mp-1070456,Be3N2,-6.747482936,-1.169237247,0.0488286795,-1.169237247,GGA,R3m,A3B2_hR15_160_3a_2a:Be-N,5.0,A3B2_hR15_160_3a_2a:Be-N +mp-1017550,Be3N2,-6.588225402,-1.009979713,0.2080862135,-1.009979713,GGA,P-3m1,A3B2_hP5_164_ad_d:Be-N,5.0,A3B2_hP5_164_ad_d:Be-N +mp-6977,Be3N2,-6.767359445,-1.189113756,0.0289521705,-1.189113756,GGA,P6_3/mmc,A3B2_hP10_194_bf_ac:Be-N,10.0,A3B2_hP10_194_bf_ac:Be-N +mp-18337,Be3N2,-6.7963116155000005,-1.2180659265,0.0,-1.2180659265,GGA,Ia-3,A3B2_cI80_206_e_ad:Be-N,40.0,A3B2_cI80_206_e_ad:Be-N +mp-1205986,Co3N,-7.43228614,-0.0169240625,0.02275931,0.02275931,GGA,P6_322,A3B_hP8_182_g_c:Co-N,8.0,A3B_hP8_182_g_c:Co-N +mp-1404786,CoN,-6.8784106925,0.8439956675,0.9178784075,0.88367904,GGA,Ama2,AB_oC8_40_b_b:Co-N,4.0,AB_oC8_40_b_b:Co-N +mp-448,CoN,-7.7962891,-0.07388274,0.0,-0.0341993675,GGA,F-43m,AB_cF8_216_a_c:Co-N,2.0,AB_cF8_216_a_c:Co-N +mp-1008985,CoN,-6.923894605,0.798511755,0.8723944950000001,0.8381951275,GGA,Pm-3m,AB_cP2_221_a_b:Co-N,2.0,AB_cP2_221_a_b:Co-N +mp-1009078,CoN,-7.422128755,0.300277605,0.374160345,0.3399609775,GGA,Fm-3m,AB_cF8_225_a_b:Co-N,2.0,AB_cF8_225_a_b:Co-N +mp-22205,InN,-5.6229385025,-0.078849175,0.0,-0.078849175,GGA,P6_3mc,AB_hP4_186_b_b:In-N,4.0,AB_hP4_186_b_b:In-N +mp-20411,InN,-5.613142125,-0.0690527975,0.0097963775,-0.0690527975,GGA,F-43m,AB_cF8_216_a_c:In-N,2.0,AB_cF8_216_a_c:In-N +mp-20812,InN,-5.412093215,0.1319961125,0.2108452875,0.1319961125,GGA,Fm-3m,AB_cF8_225_a_b:In-N,2.0,AB_cF8_225_a_b:In-N +mp-1246520,In2Co3N4,-6.4708030506,0.2152303433,0.2989237596,0.2989237596,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Co-In-N,18.0,A3B2C4_mC36_15_ef_f_2f:Co-In-N +mp-975606,InN3,-4.5886074075,2.3516847188,2.3911093063,2.3911093063,GGA,Pm-3m,AB3_cP4_221_a_c:In-N,4.0,AB3_cP4_221_a_c:In-N +mp-1194075,CoN12,-7.00877341,1.2332463512,1.2446129265,1.2446129265,GGA,P-1,AB12_aP26_2_bd_12i:Co-N,26.0,AB12_aP26_2_bd_12i:Co-N +mp-1412630,CoN12,-2.7645586531,5.4774611081,5.4888276835,5.4888276835,GGA,P-1,AB12_aP26_2_be_12i:Co-N,26.0,AB12_aP26_2_be_12i:Co-N +mp-1246947,In(CoN)2,-6.607518602,0.120743232,0.2102986153,0.2102986153,GGA,R-3m,A2BC2_hR15_166_c_a_c:Co-In-N,5.0,A2BC2_mC10_12_i_a_i:Co-In-N +mp-1206425,Co4N,-7.344004652,0.009948569,0.041695267,0.041695267,GGA,Pm-3m,A4B_cP5_221_ac_b:Co-N,5.0,A4B_cP5_221_ac_b:Co-N +mp-1068786,InCo3N,-6.59955393,-0.116927522,0.0,-0.0816635737,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Co-In-N,5.0,A3BC_cP5_221_c_a_b:Co-In-N +mp-22762,CoN3,-7.6824240825,0.34702656,0.38396793,0.38396793,GGA,Im-3,AB3_cI32_204_c_g:Co-N,16.0,AB3_cI32_204_c_g:Co-N +mp-22631,Co2N,-7.570621335,-0.0529111633,0.0,-0.0036560033,GGA,Pnnm,A2B_oP6_58_g_a:Co-N,6.0,A2B_oP6_58_g_a:Co-N +mp-2735,PaO,-10.005801695,-2.7751250094,0.249885565,0.249885565,GGA,Fm-3m,AB_cF8_225_a_b:O-Pa,2.0,AB_cF8_225_a_b:O-Pa +mp-31050,Cl2O7,-4.56178745,-0.3035769724,0.0,-0.0012020821,GGA,C2/c,A2B7_mC36_15_f_e3f:Cl-O,18.0,A2B7_mC36_15_f_e3f:Cl-O +mp-1180008,O2,-4.5281072242,0.4185814871,0.4185814871,0.4185814871,GGA,P1,A_aP12_1_12a:O,12.0,A_aP12_1_12a:O +mp-1180064,O2,-4.560947433,0.3857412783,0.3857412783,0.3857412783,GGA,P1,A_aP10_1_10a:O,10.0,A_aP10_1_10a:O +mp-1056831,O2,-3.63686277,1.3098259413,1.3098259413,1.3098259413,GGA,P2/m,A_mP1_10_a:O,1.0,A_mP1_10_a:O +mp-611836,O2,-4.937990895,0.0086978162,0.0086978162,0.0086978162,GGA,C2/m,A_mC4_12_i:O,2.0,A_mC4_12_i:O +mp-1009490,O2,-4.946243415,0.0004452963,0.0004452963,0.0004452963,GGA,C2/m,A_mC4_12_i:O,2.0,A_mC4_12_i:O +mp-1180036,O2,-4.9179869125,0.0287017988,0.0287017988,0.0287017988,GGA,P2/c,A_mP4_13_g:O,4.0,A_mP4_13_g:O +mp-1087546,O2,-4.9299683388,0.0167203725,0.0167203725,0.0167203725,GGA,C2/c,A_mC16_15_2f:O,8.0,A_mC16_15_2f:O +mp-1180050,O2,-4.17893655,0.7677521612,0.7677521612,0.7677521612,GGA,C2/c,A_mC16_15_2f:O,8.0,A_mC16_15_2f:O +mp-560602,O2,-4.5366623296,0.4100263817,0.4100263817,0.4100263817,GGA,Pbca,A_oP24_61_3c:O,24.0,A_oP24_61_13c:O +mp-1058623,O2,-3.37730416,1.5693845513,1.5693845513,1.5693845513,GGA,Cmcm,A_oC4_63_c:O,2.0,A_oC4_63_c:O +mp-607540,O2,-4.826804665,0.1198840463,0.1198840463,0.1198840463,GGA,Fmmm,A_oF8_69_g:O,2.0,A_oF8_69_g:O +mp-723285,O2,-4.9466887113,0.0,0.0,0.0,GGA,P4_12_12,A_tP8_92_b:O,8.0,A_tP8_92_b:O +mp-1102442,O2,-4.2083913067,0.7382974046,0.7382974046,0.7382974046,GGA,P4_12_12,A_tP12_92_ab:O,12.0,A_tP12_92_ab:O +mp-734188,O2,-4.51321712,0.4334715912,0.4334715912,0.4334715912,GGA,P4_12_12,A_tP12_92_ab:O,12.0,A_tP12_92_ab:O +mp-1056059,O2,-3.39040623,1.5562824813,1.5562824813,1.5562824813,GGA,P4/mmm,A_tP1_123_a:O,1.0,A_tP1_123_a:O +mp-1065697,O2,-3.36863,1.5780587113,1.5780587113,1.5780587113,GGA,P4/mmm,A_tP1_123_a:O,1.0,A_tP1_123_a:O +mp-1023923,O2,-3.983538945,0.9631497662,0.9631497663,0.9631497663,GGA,R3c,A_hR18_161_b:O,6.0,A_hR18_161_b:O +mp-2421172,O2,-4.0316945583,0.9149941529,0.9149941529,0.9149941529,GGA,R3c,A_hR18_161_b:O,6.0,A_hR18_167_e:O +mp-610917,O2,-4.935852455,0.0108362563,0.0108362563,0.0108362563,GGA,R-3m,A_hR6_166_c:O,2.0,A_hR6_166_c:O +mp-1066100,O2,-4.8222507475,0.1244379638,0.1244379638,0.1244379638,GGA,P6_3/mmc,A_hP4_194_f:O,4.0,A_hP4_194_f:O +mp-1057818,O2,-3.06711983,1.8795688812,1.8795688812,1.8795688812,GGA,Fd-3m,A_cF8_227_a:O,2.0,A_cF8_227_a:O +mp-608461,PaCl2O,-7.5260648402,-2.9864581674,0.0,-0.0098579596,GGA,Pbam,A2BC_oP48_55_2g4h_2gh_g2h:Cl-O-Pa,48.0,"Invalid WP multiplicities - A2BC_oP48_55_16g8h_4g7h_7g2h:Cl-O-Pa, expected Pa9Cl24O11 to be PaCl2O" +mp-27291,PaCl4,-5.724314133,-2.342551873,0.0,-0.0907806586,GGA,I4_1/amd,A4B_tI20_141_h_a:Cl-Pa,10.0,A4B_tI20_141_h_a:Cl-Pa +mp-1213922,ClO,-3.4466218194,-0.0490091337,0.2162809616,0.2162809616,GGA,I4_1/amd,AB_tI32_141_h_h:Cl-O,16.0,AB_tI32_141_h_h:Cl-O +mp-1059242,ClO,-2.109631665,1.2879810206,1.5532711159,1.5532711159,GGA,Pm-3m,AB_cP2_221_a_b:Cl-O,2.0,AB_cP2_221_a_b:Cl-O +mp-27436,PaCl5,-5.471819675,-2.345595015,0.0,-0.3934684542,GGA,C2/c,A5B_mC24_15_e2f_e:Cl-Pa,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_e:Cl-Pa, expected PaCl7 to be PaCl5" +mp-23207,ClO2,-4.2676914879,-0.3537201271,0.0,-0.0513452368,GGA,Pbca,AB2_oP24_61_c_2c:Cl-O,24.0,AB2_oP24_61_c_2c:Cl-O +mp-1186398,Pa3O,-8.568936945,-0.1962662722,1.316239015,1.316239015,GGA,P6_3/mmc,AB3_hP8_194_c_h:O-Pa,8.0,AB3_hP8_194_c_h:O-Pa +mp-22869,ClO3,-4.51232245,-0.3401717516,0.0,-0.0240589905,GGA,Cc,AB3_mC32_9_2a_6a:Cl-O,16.0,AB3_mC32_9_2a_6a:Cl-O +mp-1181699,ClO3,-4.0779189037,0.0942317947,0.4344035463,0.4103445557,GGA,Cc,AB3_mC16_9_a_3a:Cl-O,8.0,AB3_mC16_9_a_3a:Cl-O +mp-29537,Cl2O,-2.8782031858,0.0030508246,0.1799108881,0.1799108881,GGA,I4_1/amd,A2B_tI24_141_h_e:Cl-O,12.0,A2B_tI24_141_h_e:Cl-O +mp-1213825,ClO5,-4.267474905,0.162855131,0.3905378603,0.3905378603,GGA,P2_1/c,AB5_mP24_14_e_5e:Cl-O,24.0,AB5_mP24_14_e_5e:Cl-O +mp-1181724,ClO5,-4.2067281117,0.2236019244,0.4512846536,0.4512846536,GGA,Pnma,AB5_oP24_62_c_3cd:Cl-O,24.0,AB5_oP24_62_c_3cd:Cl-O +mp-861975,PaO3,-9.17808207,-3.0893993716,0.0,-0.0643887972,GGA,I4/mmm,A3B_tI8_139_ad_b:O-Pa,4.0,A3B_tI8_139_ad_b:O-Pa +mp-862855,PaO2,-10.3180640783,-3.8487167175,0.184630715,-0.8640754667,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Pa,6.0,A2B_tP6_136_f_a:O-Pa +mp-2364,PaO2,-10.5026947933,-4.0333474325,0.0,-1.0487061817,GGA,Fm-3m,A2B_cF12_225_c_a:O-Pa,3.0,A2B_cF12_225_c_a:O-Pa +mp-733797,ClO6,-4.37573779,0.1283577711,0.3235143962,0.3235143962,GGA,Pnma,AB6_oP28_62_c_2c2d:Cl-O,28.0,AB6_oP28_62_c_2c2d:Cl-O +mp-834,ThN,-9.62769808,-1.7525214925,0.0,-0.1642061375,GGA,Fm-3m,AB_cF8_225_a_b:N-Th,2.0,AB_cF8_225_a_b:N-Th +mp-1940,Th2N3,-9.542037064,-1.574596809,0.1196062363,0.1196062363,GGA,P-3m1,A3B2_hP5_164_ad_d:N-Th,5.0,A3B2_hP5_164_ad_d:N-Th +mp-7768,Th2SeN2,-9.17213776,-2.1728141945,0.0,-0.2886703433,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Se-Th,5.0,A2BC2_hP5_164_d_a_d:N-Se-Th +mp-542635,SeN,-5.2822140003,0.633989201,0.633989201,0.633989201,GGA,P2_1/c,AB_mP32_14_4e_4e:N-Se,32.0,AB_mP32_14_4e_4e:N-Se +mp-574424,SeN,-5.2814317931,0.6347714082,0.6347714082,0.6347714082,GGA,C2/c,AB_mC32_15_2ef_2f:N-Se,16.0,"Invalid WP multiplicities - AB_mC32_15_3e2f_8f:N-Se, expected Se16N7 to be SeN" +mp-467,Th3N4,-9.7562967557,-1.8152175486,0.0,-0.1897851157,GGA,R-3m,A4B3_hR21_166_2c_ac:N-Th,7.0,A4B3_hR21_166_2c_ac:N-Th +mp-1072204,ThN2,-8.8119188533,-0.7829694867,0.6288663844,0.6288663844,GGA,Fm-3m,A2B_cF12_225_c_a:N-Th,3.0,A2B_cF12_225_c_a:N-Th +mp-7821,VSb,-6.70699484,-0.100541185,0.11945979,0.11945979,GGA,P6_3/mmc,AB_hP4_194_c_a:Sb-V,4.0,AB_hP4_194_c_a:Sb-V +mp-1555,V3Sb,-8.108393725,-0.2632138625,0.0,-0.1238890863,GGA,Pm-3n,AB3_cP8_223_a_c:Sb-V,8.0,AB3_cP8_223_a_c:Sb-V +mp-1224489,Hf10VSb5,-8.5705324519,-0.4892322912,0.0,-0.0256507178,GGA,I422,A10B5C_tI32_97_ck_aj_b:Hf-Sb-V,16.0,A10B5C_tI32_97_ck_aj_b:Hf-Sb-V +mp-1212224,Hf4V,-8.84149437,0.941038068,0.941038068,0.941038068,GGA,Fd-3m,A4B_cF40_227_e_a:Hf-V,10.0,A4B_cF40_227_e_a:Hf-V +mp-1071274,HfV2,-9.3407743017,0.0342260883,0.0342260883,0.0342260883,GGA,Imma,AB2_oI12_74_e_ac:Hf-V,6.0,AB2_oI12_74_e_ac:Hf-V +mp-1077017,HfV2,-9.3412297217,0.0337706683,0.0337706683,0.0337706683,GGA,I4_1/amd,AB2_tI12_141_a_d:Hf-V,6.0,AB2_tI12_141_a_d:Hf-V +mp-1043,HfV2,-9.3402184683,0.0347819217,0.0347819217,0.0347819217,GGA,Fd-3m,AB2_cF24_227_a_d:Hf-V,6.0,AB2_cF24_227_a_d:Hf-V +mp-30536,V5Sb4,-7.0999917744,-0.2182656289,0.01133821,0.01133821,GGA,I4/m,A4B5_tI18_87_h_ah:Sb-V,9.0,A4B5_tI18_87_h_ah:Sb-V +mp-29617,V3Sb2,-7.32486378,-0.222919642,0.014366488,0.014366488,GGA,R-3m,A2B3_hR30_166_2c_h:Sb-V,10.0,A2B3_hR30_166_2c_h:Sb-V +mp-2851,VSb2,-5.9718285667,-0.1911923833,0.0,-0.060233006,GGA,I4/mcm,A2B_tI12_140_h_a:Sb-V,6.0,A2B_tI12_140_h_a:Sb-V +mp-975784,PrY3,-6.021322085,0.0237576887,0.0237576887,0.0237576887,GGA,I4/mmm,AB3_tI8_139_a_bd:Pr-Y,4.0,AB3_tI8_139_a_bd:Pr-Y +mp-1186784,PrY3,-6.0305156988,0.014564075,0.014564075,0.014564075,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-Y,8.0,AB3_hP8_194_c_h:Pr-Y +mp-1219836,Pr2Y,-5.3194671933,0.0232936811,0.0232936811,0.0232936811,GGA,R-3m,A2B_hR9_166_c_a:Pr-Y,3.0,A2B_hR9_166_c_a:Pr-Y +mp-1188434,Y5Tl3,-5.2799265919,-0.352390966,0.0,-0.0743354788,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Tl-Y,16.0,A3B5_hP16_193_g_dg:Tl-Y +mp-982017,PrYTl2,-4.3816256475,-0.3884598571,0.0,-0.00710086,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pr-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Pr-Tl-Y +mp-2393,YTl3,-3.639017585,-0.2504174467,0.0,-0.0379500349,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-Y,4.0,A3B_cP4_221_c_a:Tl-Y +mp-1219744,PrY,-5.594527165,0.0291612692,0.0291612692,0.0291612692,GGA,R3m,AB_hR18_160_3a_3a:Pr-Y,6.0,AB_hR18_160_3a_3a:Pr-Y +mp-1219705,PrY,-5.59451034,0.0291780942,0.0291780942,0.0291780942,GGA,P-6m2,AB_hP2_187_a_d:Pr-Y,2.0,AB_hP2_187_a_d:Pr-Y +mp-1186735,Pr3Y,-5.187214635,0.0150824596,0.0150824596,0.0150824596,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Y,4.0,A3B_tI8_139_ad_b:Pr-Y +mp-975586,Pr3Y,-5.1773950975,0.0249019971,0.0249019971,0.0249019971,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Y,8.0,A3B_hP8_194_h_c:Pr-Y +mp-1186734,Pr3Y,-5.197032575,0.0052645196,0.0052645196,0.0052645196,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Y,4.0,A3B_cP4_221_c_a:Pr-Y +mp-1187822,Y3Tl,-5.6278243712,-0.1873102496,0.0476170611,0.0476170611,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tl-Y,8.0,AB3_hP8_194_c_h:Tl-Y +mp-11575,YTl,-4.783357855,-0.368800725,0.0,-0.0332546831,GGA,Pm-3m,AB_cP2_221_a_b:Tl-Y,2.0,AB_cP2_221_a_b:Tl-Y +mp-1207757,Y3Tl5,-4.2202797519,-0.3187011177,0.0,-0.0090920319,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Tl-Y,16.0,A5B3_oC32_63_cfg_ce:Tl-Y +mp-1187884,Y3In,-5.8061609587,-0.2683866912,0.0217268571,0.0217268571,GGA,P6_3/mmc,AB3_hP8_194_c_h:In-Y,8.0,AB3_hP8_194_c_h:In-Y +mp-30746,YIr,-8.472773085,-0.8203204383,0.0,-0.0257215109,GGA,Pm-3m,AB_cP2_221_a_b:Ir-Y,2.0,AB_cP2_221_a_b:Ir-Y +mp-1199503,Y3In5,-4.5607683088,-0.41603931,0.064559995,0.0394962013,GGA,Pnma,A5B3_oP32_62_3cd_cd:In-Y,32.0,A5B3_oP32_62_3cd_cd:In-Y +mp-1105835,Y3In5,-4.6253283037,-0.480599305,0.0,-0.0250637937,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Y,16.0,A5B3_oC32_63_cfg_ce:In-Y +mp-1204272,Y3Ir2,-8.1859954974,-0.7707391574,0.0168213613,0.0168213613,GGA,I4/mcm,A2B3_tI140_140_acfh2l_bgh2m:Ir-Y,70.0,A2B3_tI140_140_acfh2l_bgh2m:Ir-Y +mp-21294,Y2In,-5.6150267167,-0.3868180644,0.0,-0.0436969175,GGA,P6_3/mmc,AB2_hP6_194_c_ad:In-Y,6.0,AB2_hP6_194_c_ad:In-Y +mp-1207785,Y3Ir,-7.6282818544,-0.5688199744,0.0,-0.0065622546,GGA,Pnma,AB3_oP16_62_c_cd:Ir-Y,16.0,AB3_oP16_62_c_cd:Ir-Y +mp-1104365,Y5Ir2,-7.7867550979,-0.6425802512000001,0.0,-0.0136029727,GGA,C2/c,A2B5_mC28_15_f_e2f:Ir-Y,14.0,A2B5_mC28_15_f_e2f:Ir-Y +mp-20131,YIn3,-4.09886154,-0.4184809642,0.0,-0.0980814275,GGA,Pm-3m,A3B_cP4_221_c_a:In-Y,4.0,A3B_cP4_221_c_a:In-Y +mp-1095497,YIr3,-8.8409202175,-0.5954768042,0.01570078,0.01570078,GGA,R-3m,A3B_hR36_166_ach_bc:Ir-Y,12.0,A3B_hR36_166_ach_bc:Ir-Y +mp-1207779,Y4Ir,-6.823499869,0.1173638577,0.5724198372,0.5724198372,GGA,Fd-3m,AB4_cF40_227_a_e:Ir-Y,10.0,AB4_cF40_227_a_e:Ir-Y +mp-672679,Y4InIr,-6.8267059796,-0.584038919,0.0,-0.03039758,GGA,F-43m,ABC4_cF96_216_e_e_efg:In-Ir-Y,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e4f4g:In-Ir-Y, expected Y16InIr to be Y4InIr" +mp-1215997,YIn,-5.10166748,-0.4925900583,0.0,-0.0521827136,GGA,P4/mmm,AB_tP2_123_a_d:In-Y,2.0,AB_tP2_123_a_d:In-Y +mp-22704,YIn,-5.093368595,-0.4842911733,0.008298885,-0.0438838286,GGA,Pm-3m,AB_cP2_221_a_b:In-Y,2.0,AB_cP2_221_a_b:In-Y +mp-2762,YIr2,-8.86268327,-0.8149034456,0.0,-0.1444787633,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-Y,6.0,A2B_cF24_227_c_b:Ir-Y +mp-1198712,Y5Ir3,-8.1353278022,-0.7793705389000001,0.0,-0.0366661422,GGA,P4/ncc,A3B5_tP32_130_cf_bg:Ir-Y,32.0,A3B5_tP32_130_cf_bg:Ir-Y +mp-1189119,Y5Ir3,-8.0949883506,-0.7390310873,0.0403394516,0.0036733094,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ir-Y,16.0,A3B5_hP16_193_g_dg:Ir-Y +mp-1186368,PPt3,-5.75676999,0.1499056267,0.4798052525,0.4798052525,GGA,I4/mmm,AB3_tI8_139_a_bd:P-Pt,4.0,AB3_tI8_139_a_bd:P-Pt +mp-730,P2Pt,-6.31551958,-0.6829401356,0.0,-0.4743360444,GGA,Pa-3,A2B_cP12_205_c_a:P-Pt,12.0,A2B_cP12_205_c_a:P-Pt +mp-10193,LuPPt,-6.63457496,-1.2994461778,0.0,-0.0338848105,GGA,P-6m2,ABC_hP3_187_b_c_e:Lu-P-Pt,3.0,ABC_hP3_187_b_c_e:Lu-P-Pt +mp-1186364,PPt,-6.05512405,-0.3129061367,0.2361975025,0.2361975025,GGA,P6_3mc,AB_hP4_186_b_b:P-Pt,4.0,AB_hP4_186_b_b:P-Pt +mp-13871,P2Pt5,-6.2602098029,-0.3770281438,0.0,-0.0843395143,GGA,C2/c,A2B5_mC28_15_f_e2f:P-Pt,14.0,"Invalid WP multiplicities - A2B5_mC28_15_f_e3f:P-Pt, expected P2Pt7 to be P2Pt5" +mp-9853,LuP5,-5.7697167383,-0.5051395628,0.0235432394,0.0235432394,GGA,P2_1/m,AB5_mP12_11_e_e2f:Lu-P,12.0,AB5_mP12_11_e_e2f:Lu-P +mp-10192,LuP,-6.55317492,-1.5860484067,0.0,-1.282964669,GGA,Fm-3m,AB_cF8_225_a_b:Lu-P,2.0,AB_cF8_225_a_b:Lu-P +mp-1187789,Y3Er,-5.9846682713,0.0071147662,0.0071147662,0.0071147662,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Y,8.0,AB3_hP8_194_c_h:Er-Y +mp-1187847,YEr3,-5.0326057725,0.0098011133,0.0098011133,0.0098011133,GGA,P6_3/mmc,A3B_hP8_194_h_c:Er-Y,8.0,A3B_hP8_194_h_c:Er-Y +mp-1215904,YEr,-5.50624212,0.0108528417,0.0108528417,0.0108528417,GGA,P-6m2,AB_hP2_187_a_d:Er-Y,2.0,AB_hP2_187_a_d:Er-Y +mp-979420,YErIr2,-8.02834062,-0.8505760492000001,0.0203759975,0.0203759975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ir-Y,4.0,AB2C_cF16_225_a_c_b:Er-Ir-Y +mp-1206813,Er2MgSi2,-4.994979968,-0.6777092220000001,0.0,-0.0425474095,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Er-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:Er-Mg-Si +mp-1087497,V5Se4,-7.4454572433,-0.8451043255,0.0,-0.0681828778,GGA,I4/m,A4B5_tI18_87_h_ah:Se-V,9.0,A4B5_tI18_87_h_ah:Se-V +mp-972071,V3Mo,-9.5914085625,-0.0670664825,0.0,-0.0161801,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-V,4.0,AB3_cF16_225_a_bc:Mo-V +mp-1105074,V(Mo3Se4)2,-7.496094204,-0.6877543006,0.1261100389,0.1261100389,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-V,15.0,"Invalid WP multiplicities - A6B8C_hR45_148_f_c2f_a:Mo-Se-V, expected V(Mo3Se7)2 to be V(Mo3Se4)2" +mp-1207893,V5Se8,-6.6513812477,-1.0062410807,0.0,-0.0039236638,GGA,C2/m,A8B5_mC26_12_2ij_ahi:Se-V,13.0,A8B5_mC26_12_2ij_ahi:Se-V +mp-22700,V3Se4,-6.8896653071,-0.9988990042,0.0,-0.0340930891,GGA,C2/m,A4B3_mC14_12_2i_ai:Se-V,7.0,A4B3_mC14_12_2i_ai:Se-V +mp-604914,VSe,-7.0791456075,-0.7892368337,0.1231526638,0.1231526638,GGA,P4/nmm,AB_tP4_129_c_a:Se-V,4.0,AB_tP4_129_c_a:Se-V +mp-29131,VSe,-7.0284481425,-0.7385393687,0.1738501288,0.1738501288,GGA,P6_3/mmc,AB_hP4_194_c_a:Se-V,4.0,AB_hP4_194_c_a:Se-V +mp-569668,VSe,-6.75718069,-0.4672719162,0.4451175813,0.4451175813,GGA,P6_3/mmc,AB_hP4_194_a_c:Se-V,4.0,AB_hP4_194_a_c:Se-V +mp-694,VSe2,-6.3648819067,-1.0063055649,0.0,-0.0533184294,GGA,P-3m1,A2B_hP3_164_d_a:Se-V,3.0,A2B_hP3_164_d_a:Se-V +mp-685047,V23Se40,-6.5097282621,-0.9737552666,0.0325103795,0.0325103795,GGA,C2/m,A40B23_mC126_12_20i_a11i:Se-V,63.0,"Invalid WP multiplicities - A40B23_mC126_12_40i_a21i:Se-V, expected V43Se80 to be V23Se40" +mp-1216323,VMo,-10.066550855,-0.101772765,0.0,-0.0570617767,GGA,Cmmm,AB_oC4_65_a_c:Mo-V,2.0,AB_oC4_65_a_c:Mo-V +mp-995205,VMo,-9.620903025,0.343875065,0.44564783,0.3885860533,GGA,P-6m2,AB_hP2_187_a_d:Mo-V,2.0,AB_hP2_187_a_d:Mo-V +mp-28256,V2Se9,-5.3075564282,-0.7956459337,0.0,-0.2467519892,GGA,C2/c,A9B2_mC44_15_e4f_f:Se-V,22.0,"Invalid WP multiplicities - A9B2_mC44_15_e5f_f:Se-V, expected V2Se11 to be V2Se9" +mp-1029275,SrZrN2,-8.2043909112,-1.4768449279,0.0,-0.1321591175,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Sr-Zr,8.0,A2BC_tP8_129_ac_c_c:N-Sr-Zr +mp-9382,SrZrN2,-8.19182336,-1.4642773767,0.0125675512,-0.1195915663,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Sr-Zr,4.0,A2BC_hR12_166_c_a_b:N-Sr-Zr +mp-1247149,Sr5Zr2N6,-6.9108616304,-1.0984125476,0.1062381685,0.1062381685,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Sr-Zr,26.0,A6B5C2_mC52_15_3f_e2f_f:N-Sr-Zr +mp-1029580,Sr4ZrN4,-6.48941486,-1.0836755107,0.0,-0.0486253111,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Sr-Zr,18.0,A4B4C_aP18_2_4i_4i_i:N-Sr-Zr +mp-1188048,Zr3N,-7.9458854725,0.5490137312,1.5502463675,1.5502463675,GGA,I4/mmm,AB3_tI8_139_a_bd:N-Zr,4.0,AB3_tI8_139_a_bd:N-Zr +mp-1188007,Zr3N,-7.937036975,0.5578622287,1.559094865,1.559094865,GGA,Pm-3m,AB3_cP4_221_a_c:N-Zr,4.0,AB3_cP4_221_a_c:N-Zr +mp-277,Zr3N4,-10.1072821371,-1.6802704814,0.0,-0.0858577236,GGA,Pnma,A4B3_oP28_62_4c_3c:N-Zr,28.0,A4B3_oP28_62_4c_3c:N-Zr +mp-754353,Zr3N4,-10.0558816357,-1.6288699800000002,0.0514005014,-0.0344572221,GGA,R-3m,A4B3_hR21_166_2c_ac:N-Zr,7.0,"Invalid WP multiplicities - A4B3_hR21_166_3c_ac:N-Zr, expected ZrN2 to be Zr3N4" +mp-11661,Zr3N4,-10.0622255743,-1.6352139186,0.0450565629,-0.0408011607,GGA,I-43d,A4B3_cI28_220_c_a:N-Zr,14.0,A4B3_cI28_220_c_a:N-Zr +mp-754381,Zr3N4,-10.0723905721,-1.6453789164,0.034891565,-0.0509661586,GGA,Fd-3m,A4B3_cF56_227_e_ad:N-Zr,14.0,"Invalid WP multiplicities - A4B3_cF56_227_e_2a3d:N-Zr, expected Zr2N to be Zr3N4" +mp-1178600,ZrN2,-9.378969365,-0.9720725383,0.3348045028,0.3348045028,GGA,Pmmn,A2B_oP6_59_2a_b:N-Zr,6.0,A2B_oP6_59_2a_b:N-Zr +mp-1072543,ZrN2,-8.8775643033,-0.4706674767,0.8362095644,0.8362095644,GGA,I4/mmm,A2B_tI6_139_d_a:N-Zr,3.0,A2B_tI6_139_d_a:N-Zr +mp-1008600,ZrN2,-8.5228912,-0.1159943733,1.1908826678,1.1908826678,GGA,P-3m1,A2B_hP3_164_d_a:N-Zr,3.0,A2B_hP3_164_d_a:N-Zr +mp-1014160,ZrN,-10.2530932625,-1.810995485,0.0491527325,-0.1933988304,GGA,P-3m1,AB_hP4_164_ab_d:N-Zr,4.0,AB_hP4_194_a_c:N-Zr +mp-13126,ZrN,-9.85375332,-1.4116555425,0.448492675,0.2059411121,GGA,P6_3mc,AB_hP4_186_b_b:N-Zr,4.0,AB_hP4_186_b_b:N-Zr +mp-1009838,ZrN,-9.93008659,-1.4879888125,0.372159405,0.1296078421,GGA,P-6m2,AB_hP2_187_a_d:N-Zr,2.0,AB_hP2_187_a_d:N-Zr +mp-1017546,ZrN,-9.9590598125,-1.5169620350000002,0.3431861825,0.1006346196,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Zr,4.0,AB_hP4_194_c_a:N-Zr +mp-1093992,ZrN,-10.2559790825,-1.813881305,0.0462669125,-0.1962846504,GGA,P6_3/mmc,AB_hP4_194_a_c:N-Zr,4.0,AB_hP4_194_a_c:N-Zr +mp-1009885,ZrN,-9.98029015,-1.5381923725000002,0.321955845,0.0794042821,GGA,F-43m,AB_cF8_216_a_c:N-Zr,2.0,AB_cF8_216_a_c:N-Zr +mp-1009836,ZrN,-9.416482485,-0.9743847075,0.88576351,0.6432119471000001,GGA,Pm-3m,AB_cP2_221_a_b:N-Zr,2.0,AB_cP2_221_a_b:N-Zr +mp-1352,ZrN,-10.302245995,-1.8601482175,0.0,-0.2425515629,GGA,Fm-3m,AB_cF8_225_a_b:N-Zr,2.0,AB_cF8_225_a_b:N-Zr +mp-1245435,Sr3ZrN3,-6.4483231707,-0.9303709186,0.1992285529,0.1992285529,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-Zr,14.0,A3B3C_hP14_176_h_h_c:N-Sr-Zr +mp-1247446,Sr3Zr3N5,-7.834175916399999,-1.2528980186,0.1593797867,0.1593797867,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Zr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Zr +mp-1247420,Sr3Zr2N4,-7.25088427,-1.0831219011,0.2296291459,0.2296291459,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Zr,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Zr +mp-866083,Zr3N2,-9.993071645,-1.529853297,0.015192099,0.015192099,GGA,R-3c,A2B3_hR30_167_c_e:N-Zr,10.0,A2B3_hR30_167_c_e:N-Zr +mp-1245667,Sr7ZrN6,-5.9320949089,-0.904014598,0.036067665,0.036067665,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Sr-Zr,56.0,A6B7C_oP56_60_3d_c3d_c:N-Sr-Zr +mp-1245834,SrZr7N10,-9.5600102131,-1.5106575956,0.1244072072,0.1244072072,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Sr-Zr,36.0,A10BC7_mP36_7_10a_a_7a:N-Sr-Zr +mp-1014265,Zr2N,-9.8122755767,-1.3349768483,0.0,-0.0600991008,GGA,P4_2/mnm,AB2_tP6_136_a_f:N-Zr,6.0,AB2_tP6_136_a_f:N-Zr +mp-755633,K5Se3,-3.2093653637,-1.2043992178,0.0306498438,0.0306498438,GGA,I4/m,A5B3_tI32_87_d2h_eh:K-Se,16.0,"Invalid WP multiplicities - A5B3_tI32_87_d8h_eh:K-Se, expected K17Se3 to be K5Se3" +mp-734654,KSe,-3.3218230919,-1.0186678795,0.1597719281,0.1279761012,GGA,Cmce,AB_oC32_64_g_df:K-Se,32.0,AB_oC32_64_g_df:K-Se +mp-9268,KSe,-3.48159502,-1.1784398077,0.0,-0.0317958269,GGA,P-62m,AB_hP12_189_fg_eh:K-Se,12.0,AB_hP12_189_fg_eh:K-Se +mp-1059621,KSe,-2.9996099650000003,-0.6964547527,0.481985055,0.4501892281,GGA,Fm-3m,AB_cF8_225_a_b:K-Se,2.0,AB_cF8_225_a_b:K-Se +mp-1080121,KSe3,-3.6919101638,-0.7923768188,0.00591677,0.00591677,GGA,C2,AB3_mC16_5_c_3c:K-Se,8.0,AB3_mC16_5_c_3c:K-Se +mp-1223478,KCr5Se8,-6.4355474157,-0.9110525501,0.00082921,-0.0531075591,GGA,C2,A5BC8_mC28_5_a2c_b_4c:Cr-K-Se,14.0,A5BC8_mC28_5_a2c_b_4c:Cr-K-Se +mp-1104473,KCr5Se8,-6.4363766257,-0.9118817601,0.0,-0.0539367691,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-K-Se,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-K-Se +mp-18609,K2Se5,-3.7266719989,-0.91233553,0.0,-0.050934363,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:K-Se,28.0,A2B5_oP28_19_2a_5a:K-Se +mp-685089,K57Se34,-3.1795018436,-1.1778125006,0.0578586407,0.0578586407,GGA,P1,A57B34_aP91_1_57a_34a:K-Se,91.0,A57B34_aP91_1_57a_34a:K-Se +mp-1184925,K3Cr,-2.5724277375,0.6736333403,0.6736333403,0.6736333403,GGA,I4/mmm,AB3_tI8_139_a_bd:Cr-K,4.0,AB3_tI8_139_a_bd:Cr-K +mp-1184874,K3Cr,-2.5688365275,0.6772245503000001,0.6772245503000001,0.6772245503000001,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-K,4.0,AB3_cP4_221_a_c:Cr-K +mp-1184873,K3Cr,-2.58389929,0.6621617878,0.6621617878,0.6621617878,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-K,4.0,AB3_cF16_225_a_bc:Cr-K +mp-7670,K2Se3,-3.623985547,-1.0822790816,0.0,-0.0280212702,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:K-Se,10.0,A2B3_oC20_36_2a_ab:K-Se +mp-8426,K2Se,-3.1594886033,-1.2539188128,0.0,-0.1833417303,GGA,Fm-3m,A2B_cF12_225_c_a:K-Se,3.0,A2B_cF12_225_c_a:K-Se +mp-973165,Lu3U,-5.82606323,0.3875021625,0.3875021625,0.3875021625,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-U,8.0,A3B_hP8_194_h_c:Lu-U +mp-1222521,LuUTe6,-5.28705891,-0.9530344238,0.0498816199,0.0498816199,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Lu-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Lu-Te-U +mp-974822,Rb3P,-2.15039493,-0.061668749,0.1185726052,0.1185726052,GGA,Fm-3m,AB3_cF16_225_a_bc:P-Rb,4.0,AB3_cF16_225_a_bc:P-Rb +mp-2079,Rb2P3,-4.072774383,-0.43257925,0.0,-0.1889374082,GGA,Fmmm,A3B2_oF40_69_hm_fg:P-Rb,10.0,A3B2_oF40_69_hm_fg:P-Rb +mp-1173444,Rb3P11,-4.5086398936,-0.0452163371,0.2738384557,0.2066873925,GGA,C2/m,A11B3_mC56_12_11i_3i:P-Rb,28.0,"Invalid WP multiplicities - A11B3_mC56_12_21i_5i:P-Rb, expected Rb5P21 to be Rb3P11" +mp-1197062,Rb3P11,-4.7824783493,-0.3190547928,0.0,-0.0671510633,GGA,Pbcn,A11B3_oP56_60_c5d_cd:P-Rb,56.0,A11B3_oP56_60_c5d_cd:P-Rb +mp-673817,Rb3P11,-4.2077431621,0.2556803943,0.5747351871,0.5075841239000001,GGA,R-3m,A11B3_hR84_166_11c_3c:P-Rb,28.0,"Invalid WP multiplicities - A11B3_hR84_166_21c_5c:P-Rb, expected Rb5P21 to be Rb3P11" +mp-1209298,RbP15,-5.2393146863,-0.1030602067,0.0,-0.0096819636,GGA,P-1,A15B_aP32_2_15i_i:P-Rb,32.0,A15B_aP32_2_15i_i:P-Rb +mp-1205641,Rb2P2Pt,-4.284700984,-0.5129396883,0.0,-0.103175607,GGA,Cmcm,A2BC2_oC20_63_g_a_2c:P-Pt-Rb,10.0,A2BC2_oC20_63_g_a_2c:P-Pt-Rb +mp-1101799,Rb2P,-2.4614203608,-0.0032968103,0.2370249953,0.2370249953,GGA,Pnma,AB2_oP12_62_c_2c:P-Rb,12.0,AB2_oP12_62_c_2c:P-Rb +mp-1179688,RbP,-2.5695137,0.6274045896,0.9878872979,0.9878872979,GGA,C2/m,AB_mC4_12_a_d:P-Rb,2.0,AB_mC4_12_a_d:P-Rb +mp-1058499,RbP,-2.569247805,0.6276704846000001,0.9881531929,0.9881531929,GGA,Immm,AB_oI4_71_a_b:P-Rb,2.0,AB_oI4_71_a_b:P-Rb +mp-1060787,RbP,-2.569383955,0.6275343346000001,0.9880170429,0.9880170429,GGA,R-3m,AB_hR6_166_a_b:P-Rb,2.0,AB_hR6_166_a_b:P-Rb +mp-1179679,RbP,-2.56961342,0.6273048696,0.9877875779,0.9877875779,GGA,Fm-3m,AB_cF8_225_a_b:P-Rb,2.0,AB_cF8_225_a_b:P-Rb +mp-1209498,RbP11,-5.1684094612,-0.1245043241,0.0082021984,0.0082021984,GGA,P2_1/m,A11B_mP48_11_8e7f_f:P-Rb,48.0,A11B_mP48_11_8e7f_f:P-Rb +mp-1189298,YbB4,-6.120701389,-0.4692663163,0.0,-0.0395813223,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Yb,,A4B_tP20_127_egi_h:B-Yb +mp-2192,BPt,-6.30505817,0.0702043754,0.2018834502,0.2018834502,GGA,P6_3/mmc,AB_hP4_194_a_c:B-Pt,4.0,AB_hP4_194_a_c:B-Pt +mp-1096829,BPt,-6.3132370125,0.0620255329,0.1937046077,0.1937046077,GGA,P6_3/mmc,AB_hP4_194_c_a:B-Pt,4.0,AB_hP4_194_c_a:B-Pt +mp-419,YbB6,-6.4055137657,-0.4603767793,0.0,-0.1251865533,GGA,Pm-3m,A6B_cP7_221_e_b:B-Yb,,A6B_cP7_221_e_b:B-Yb +mp-1103888,YbB12,-6.4491673677,-0.1651435577,0.0827516312,0.0827516312,GGA,Fm-3m,A12B_cF52_225_h_b:B-Yb,,A12B_cF52_225_h_b:B-Yb +mp-861943,BPt3,-6.24188527,-0.0186873373,0.1129917375,0.1129917375,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Pt,8.0,AB3_hP8_194_c_h:B-Pt +mp-1095422,YbBPt2,-5.9812166300000005,-0.8908999573,0.0,-0.0634166639,GGA,P6_222,AB2C_hP12_180_d_i_c:B-Pt-Yb,,AB2C_hP12_180_d_i_c:B-Pt-Yb +mp-1228684,B2Pt3,-6.413766026,-0.0993293257,0.0586855641,0.0586855641,GGA,P3m1,A2B3_hP5_156_2a_2bc:B-Pt,5.0,A2B3_hP5_156_2a_2bc:B-Pt +mp-10145,YbB2,-5.17833337,-0.2122027628,0.1788525008,0.1788525008,GGA,P6/mmm,A2B_hP3_191_c_b:B-Yb,,A2B_hP3_191_c_b:B-Yb +mp-1077788,BPt2,-6.4494582367,-0.1755720997,0.0,-0.0927976617,GGA,P6_3/mmc,AB2_hP6_194_c_f:B-Pt,6.0,AB2_hP6_194_c_f:B-Pt +mp-30930,AlI3,-3.0346176094,-0.9931988894,0.0,-0.9931988894,GGA,P2_1/c,AB3_mP16_14_e_3e:Al-I,16.0,AB3_mP16_14_e_3e:Al-I +mp-29986,La2Al2I,-4.654487597,-0.887181153,0.0,-0.04213308,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Al-I-La,10.0,A2BC2_hP10_194_f_c_e:Al-I-La +mp-30282,La2I5,-4.2767497064,-1.8140574264,0.0,-0.0120409293,GGA,P2_1/m,A5B2_mP14_11_5e_2e:I-La,14.0,A5B2_mP14_11_5e_2e:I-La +mp-27979,LaI3,-4.2079932975,-1.8689667588,0.0,-0.2816665106,GGA,Cmcm,A3B_oC16_63_cf_c:I-La,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:I-La, expected LaI5 to be LaI3" +mp-22860,LaI,-4.495942295,-1.2912555675,0.0,-0.0066934563,GGA,P6_3/mmc,AB_hP4_194_c_a:I-La,4.0,AB_hP4_194_c_a:I-La +mp-23194,LaI2,-4.3403294167,-1.7127494817,0.0,-0.0148702461,GGA,I4/mmm,A2B_tI6_139_e_a:I-La,3.0,A2B_tI6_139_e_a:I-La +mp-29987,La3(AlI)2,-4.5990386171,-0.9924806636,0.0101503221,0.0101503221,GGA,C2/m,A2B2C3_mC28_12_2i_2i_3i:Al-I-La,14.0,A2B2C3_mC28_12_2i_2i_3i:Al-I-La +mp-1211500,La10Al5I8,-4.5653031861,-1.092482273,0.0066563679,0.0066563679,GGA,C2/m,A5B8C10_mC46_12_a2i_4i_5i:Al-I-La,23.0,A5B8C10_mC46_12_a2i_4i_5i:Al-I-La +mp-988070,La8Al4I7,-3.8082792784,-0.3985990358,0.7465374579,0.7465374579,GGA,P-1,A4B7C8_aP57_2_6i_a10i_12i:Al-I-La,57.0,"Invalid WP multiplicities - A4B7C8_aP57_2_11i_a19i_21i:Al-I-La, expected La42Al22I39 to be La8Al4I7" +mp-646295,La8Al4I7,-4.5531041807,-1.1434239381,0.0017125556,0.0017125556,GGA,P-1,A4B7C8_aP57_2_6i_a10i_12i:Al-I-La,57.0,"Invalid WP multiplicities - A4B7C8_mC114_12_11i_a19i_21i:Al-I-La, expected La42Al22I39 to be La8Al4I7" +mp-1337719,La8Al4I7,-4.3349474075,-0.9252671649,0.2198693288,0.2198693288,GGA,P-1,A4B7C8_aP57_2_6i_a10i_12i:Al-I-La,57.0,"Invalid WP multiplicities - A4B7C8_aP57_2_11i_a19i_21i:Al-I-La, expected La42Al22I39 to be La8Al4I7" +mp-658046,La8Al4I7,-4.5541719921,-1.1444917495,0.0006447442,0.0006447442,GGA,C2/m,A4B7C8_mC114_12_6i_a10i_12i:Al-I-La,57.0,A4B7C8_mC114_12_6i_a10i_12i:Al-I-La +mp-1224383,Hf3N2,-10.829070296,-1.520158908,0.094391708,0.069514291,GGA,R3m,A3B2_hR15_160_3a_2a:Hf-N,5.0,A3B2_hR15_160_3a_2a:Hf-N +mp-1224388,Hf3N2,-10.923462004,-1.614550616,0.0,-0.024877417,GGA,R-3m,A3B2_hR15_166_ac_c:Hf-N,5.0,A3B2_hR15_166_ac_c:Hf-N +mp-1096994,HfN,-11.0433257425,-1.896483765,0.0320502375,-0.1274944913,GGA,P6_3/mmc,AB_hP4_194_c_a:Hf-N,4.0,AB_hP4_194_c_a:Hf-N +mp-1001916,HfN,-10.80268531,-1.6558433325,0.27269067,0.1131459412,GGA,F-43m,AB_cF8_216_a_c:Hf-N,2.0,AB_cF8_216_a_c:Hf-N +mp-1001834,HfN,-10.084025845,-0.9371838675,0.991350135,0.8318054062,GGA,Pm-3m,AB_cP2_221_a_b:Hf-N,2.0,AB_cP2_221_a_b:Hf-N +mp-2828,HfN,-11.07537598,-1.9285340025,0.0,-0.1595447288,GGA,Fm-3m,AB_cF8_225_a_b:Hf-N,2.0,AB_cF8_225_a_b:Hf-N +mp-1009219,HfN2,-9.8303470033,-0.95362071,0.5010182064,0.5010182064,GGA,P-6m2,AB2_hP3_187_a_h:Hf-N,3.0,AB2_hP3_187_a_h:Hf-N +mp-1018716,HfN2,-9.8745031583,-0.997776865,0.4568620514,0.4568620514,GGA,P6_3/mmc,AB2_hP6_194_c_e:Hf-N,6.0,AB2_hP6_194_c_e:Hf-N +mp-1102429,HfN2,-9.9163428475,-1.0396165542,0.4150223622,0.4150223622,GGA,Pa-3,AB2_cP12_205_a_c:Hf-N,12.0,AB2_cP12_205_a_c:Hf-N +mp-1079110,Hf3AlN,-9.424962585,-1.034235016,0.0,-0.039502336,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Al-Hf-N,10.0,AB3C_oC20_63_c_cf_a:Al-Hf-N +mp-776470,Hf3N4,-10.9013281482,-1.8702500354,0.0,-0.2172208904,GGA,Pnma,A3B4_oP28_62_3c_4c:Hf-N,28.0,"Invalid WP multiplicities - A3B4_oP28_62_9c_13c:Hf-N, expected Hf9N13 to be Hf3N4" +mp-754434,Hf3N4,-10.8278227314,-1.7967446186,0.0735054168,-0.1437154736,GGA,R-3m,A3B4_hR21_166_ac_2c:Hf-N,7.0,"Invalid WP multiplicities - A3B4_hR21_166_ac_3c:Hf-N, expected HfN2 to be Hf3N4" +mp-11660,Hf3N4,-10.8321444721,-1.8010663593,0.0691836761,-0.1480372143,GGA,I-43d,A3B4_cI28_220_a_c:Hf-N,14.0,A3B4_cI28_220_a_c:Hf-N +mp-755988,Hf3N4,-10.8855869279,-1.854508815,0.0157412204,-0.20147967,GGA,Fd-3m,A3B4_cF56_227_ad_e:Hf-N,14.0,"Invalid WP multiplicities - A3B4_cF56_227_2a3d_e:Hf-N, expected Hf2N to be Hf3N4" +mp-32994,Hf4N3,-10.9250269614,-1.6624211193,0.0418390357,0.0418390357,GGA,I4/mmm,A4B3_tI14_139_ce_ad:Hf-N,7.0,"Invalid WP multiplicities - A4B3_tI14_139_c2e_ad:Hf-N, expected Hf2N to be Hf4N3" +mp-1224391,Hf4N3,-10.9303343543,-1.6677285121,0.0365316429,0.0365316429,GGA,R3m,A4B3_hR21_160_4a_3a:Hf-N,7.0,A4B3_hR21_160_4a_3a:Hf-N +mp-864647,Hf2N,-10.7807236583,-1.3637659967,0.0,-0.01830715,GGA,P4_2/mnm,A2B_tP6_136_f_a:Hf-N,6.0,A2B_tP6_136_f_a:Hf-N +mp-661,AlN,-7.6254323825,-1.584397005,0.0,-1.584397005,GGA,P6_3mc,AB_hP4_186_b_b:Al-N,4.0,AB_hP4_186_b_b:Al-N +mp-13178,AlN,-7.5101421525,-1.469106775,0.11529023,-1.469106775,GGA,P6_3/mmc,AB_hP4_194_c_d:Al-N,4.0,AB_hP4_194_c_d:Al-N +mp-1700,AlN,-7.60408863,-1.5630532525,0.0213437525,-1.5630532525,GGA,F-43m,AB_cF8_216_a_c:Al-N,2.0,AB_cF8_216_a_c:Al-N +mp-1330,AlN,-7.453429745,-1.4123943675,0.1720026375,-1.4123943675,GGA,Fm-3m,AB_cF8_225_a_b:Al-N,2.0,AB_cF8_225_a_b:Al-N +mp-977347,Hf5Al3N,-8.4201362767,-0.7135621028,0.0424581641,0.0424581641,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Al-Hf-N,18.0,"Invalid WP multiplicities - A3B5C_hP18_193_g_2d2g_b:Al-Hf-N, expected Hf10Al3N to be Hf5Al3N" +mp-1016277,YMg7,-2.2115855625,-0.0030316296,0.0545307824,0.0545307824,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Y,8.0,A7B_hP8_187_ajk_d:Mg-Y +mp-1079382,YMg7,-2.1874582988,0.0210956342,0.0786580462,0.0786580462,GGA,Fm-3m,A7B_cF32_225_ad_b:Mg-Y,8.0,A7B_cF32_225_ad_b:Mg-Y +mp-1216435,Y11Mg76,-2.2462366225,-0.0306910358,0.0272533533,0.0272533533,GGA,Cm,A76B11_mC174_8_6a35b_a5b:Mg-Y,87.0,"Invalid WP multiplicities - A76B11_mC174_8_6a61b_a7b:Mg-Y, expected Y15Mg128 to be Y11Mg76" +mp-1094526,Y2Mg,-4.8173082083,0.0270992172,0.1009543228,0.1009543228,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Y,6.0,AB2_mC12_8_2a_4a:Mg-Y +mp-1094419,Y2Mg,-4.8639893383,-0.0195819128,0.0542731928,0.0542731928,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Y,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Y, expected Y3Mg to be Y2Mg" +mp-1094531,Y2Mg,-4.8781685317,-0.0337611061,0.0400939994,0.0400939994,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Y,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Y, expected Y3Mg to be Y2Mg" +mp-1094414,Y2Mg,-4.831949495,0.0124579306,0.0863130361,0.0863130361,GGA,C2/c,AB2_mC12_15_e_f:Mg-Y,6.0,AB2_mC12_15_e_f:Mg-Y +mp-1094522,Y2Mg,-4.7906873433,0.0537200822,0.1275751878,0.1275751878,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Y,6.0,AB2_oC12_38_2a_a3b:Mg-Y +mp-1094389,Y2Mg,-4.8990308433,-0.0546234178,0.0192316878,0.0192316878,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Y,12.0,AB2_tI6_139_a_e:Mg-Y +mp-1094424,Y2Mg,-4.8352335367,0.0091738889,0.0830289944,0.0830289944,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Y,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Y, expected Y3Mg to be Y2Mg" +mp-1387551,Y2Mg,-4.8956912067000005,-0.0512837811,0.0225713244,0.0225713244,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Y,6.0,AB2_tI6_139_a_e:Mg-Y +mp-1094378,Y2Mg,-4.8051884433000005,0.0392189822,0.1130740878,0.1130740878,GGA,R32,AB2_hR18_155_c_ae:Mg-Y,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Mg-Y, expected Y7Mg2 to be Y2Mg" +mp-1094423,Y2Mg,-4.78509092,0.0593165056,0.1331716111,0.1331716111,GGA,P-6m2,AB2_hP6_187_g_adh:Mg-Y,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Mg-Y, expected Y3Mg to be Y2Mg" +mp-1094393,Y2Mg,-4.7870286,0.0573788256,0.1312339311,0.1312339311,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Y,6.0,AB2_hP6_189_c_ag:Mg-Y +mp-1094410,YMg2,-3.1833947867,0.0389489511,0.1364061133,0.1364061133,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Y,6.0,A2B_mC12_8_4a_2a:Mg-Y +mp-1094408,YMg2,-3.2104213633,0.0119223744,0.1093795367,0.1093795367,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Y,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Y, expected YMg3 to be YMg2" +mp-1094454,YMg2,-3.2691623983,-0.0468186606,0.0506385017,0.0506385017,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Y,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Y, expected YMg3 to be YMg2" +mp-1094404,YMg2,-3.225054805,-0.0027110672,0.094746095,0.094746095,GGA,C2/c,A2B_mC12_15_f_e:Mg-Y,6.0,A2B_mC12_15_f_e:Mg-Y +mp-1094409,YMg2,-3.20493782,0.0174059178,0.11486308,0.11486308,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Y,6.0,A2B_oC12_38_a3b_2a:Mg-Y +mp-1094403,YMg2,-3.2493642083,-0.0270204706,0.0704366917,0.0704366917,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Y,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Y, expected YMg3 to be YMg2" +mp-1094444,YMg2,-3.2087351783,0.0136085594,0.1110657217,0.1110657217,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Y,6.0,A2B_oC12_63_g_c:Mg-Y +mp-1094495,YMg2,-3.1726342683,0.0497094694,0.1471666317,0.1471666317,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Y,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Y, expected YMg3 to be YMg2" +mp-11499,YMg2,-3.3083724858,-0.0860287481,0.0114284142,0.0114284142,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mg-Y,12.0,A2B_hP12_194_ah_f:Mg-Y +mp-1094401,YMg2,-3.1862628433,0.0360808944,0.1335380567,0.1335380567,GGA,P-3m1,A2B_hP6_164_2d_d:Mg-Y,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Mg-Y, expected YMg3 to be YMg2" +mp-1094418,YMg2,-3.3091669433,-0.0868232056,0.0106339567,0.0106339567,GGA,R-3m,A2B_hR18_166_ad_c:Mg-Y,6.0,A2B_cF24_227_c_b:Mg-Y +mp-1094441,YMg2,-3.1769453467,0.0453983911,0.1428555533,0.1428555533,GGA,P-6m2,A2B_hP6_187_adg_h:Mg-Y,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Mg-Y, expected YMg3 to be YMg2" +mp-1094446,YMg2,-3.193252585,0.0290911528,0.126548315,0.126548315,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Y,6.0,A2B_hP6_189_ag_c:Mg-Y +mp-1094406,YMg2,-3.1839390733,0.0384046644,0.1358618267,0.1358618267,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Y,6.0,A2B_hP6_194_f_c:Mg-Y +mp-1187860,YMg2,-3.3111019683,-0.0887582306,0.0086989317,0.0086989317,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Y,6.0,A2B_cF24_227_c_b:Mg-Y +mp-1100191,YMg5,-2.4033465333,0.0079653606,0.0766051066,0.0766051066,GGA,Cm,A5B_mC12_8_5a_a:Mg-Y,6.0,A5B_mC12_8_5a_a:Mg-Y +mp-981252,YMg5,-2.4293622617,-0.0180503678,0.0505893783,0.0505893783,GGA,C2/m,A5B_mC12_12_a2i_c:Mg-Y,6.0,"Invalid WP multiplicities - A5B_mC12_12_a4i_d:Mg-Y, expected YMg9 to be YMg5" +mp-1094482,YMg5,-2.4238915683,-0.0125796744,0.0560600716,0.0560600716,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Y,6.0,A5B_oC12_38_2a3b_a:Mg-Y +mp-1094405,YMg5,-2.3953725433,0.0159393506,0.0845790966,0.0845790966,GGA,R32,A5B_hR18_155_cd_b:Mg-Y,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Y, expected YMg10 to be YMg5" +mp-1094442,YMg5,-2.4246251233,-0.0133132294,0.0553265166,0.0553265166,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Y,6.0,A5B_hP6_189_cg_a:Mg-Y +mp-1094968,Y3Mg,-5.21043814,0.0394852075,0.0948765367,0.0948765367,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-Y,4.0,AB3_oP4_25_a_bcd:Mg-Y +mp-1094449,Y3Mg,-5.2571470575,-0.00722371,0.0481676192,0.0481676192,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Y,4.0,AB3_oI8_44_a_bc:Mg-Y +mp-1094397,Y3Mg,-5.2517049075,-0.00178156,0.0536097692,0.0536097692,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Y,8.0,AB3_hP8_194_c_h:Mg-Y +mp-1094496,Y3Mg,-5.2153965475,0.0345267999999999,0.0899181292,0.0899181292,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Y,4.0,AB3_tI8_139_a_bd:Mg-Y +mp-1094777,Y3Mg,-5.2039328025,0.045990545,0.1013818742,0.1013818742,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Y,4.0,AB3_hP4_187_a_bh:Mg-Y +mp-1094769,Y3Mg,-5.2253394775,0.02458387,0.0799751992,0.0799751992,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Y,4.0,AB3_cP4_221_a_c:Mg-Y +mp-1094443,Y3Mg,-5.18770653,0.0622168175,0.1176081467,0.1176081467,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Y,4.0,AB3_cF16_225_a_bc:Mg-Y +mp-1188082,YMg149,-1.6588241071,-0.0261027833,0.0,-0.0236815989,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Y,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Y, expected YMg315 to be YMg149" +mp-21503,YMgIn,-4.0191910567,-0.4130460922,0.0,-0.0761465959,GGA,P-62m,ABC_hP9_189_ad_g_f:In-Mg-Y,9.0,ABC_hP9_189_ad_g_f:In-Mg-Y +mp-1217184,Y19Mg97,-2.4403862228,-0.0430576366,0.0248181554,0.0248181554,GGA,Amm2,A97B19_oC232_38_a8c2d2e18f_b5cdef:Mg-Y,116.0,"Invalid WP multiplicities - A97B19_oC232_38_a16c4d4e68f_b9c2d2e4f:Mg-Y, expected Y43Mg321 to be Y19Mg97" +mp-1094523,YMg,-4.0158612,0.0175143817,0.12829704,0.0892052058,GGA,C2,AB_mC12_5_ac_bc:Mg-Y,6.0,AB_mC12_5_ac_bc:Mg-Y +mp-1094420,YMg,-4.0358471167,-0.002471535,0.1083111233,0.0692192892,GGA,Cm,AB_mC12_8_3a_3a:Mg-Y,6.0,AB_mC12_8_3a_3a:Mg-Y +mp-1094497,YMg,-4.0184438817,0.0149317,0.1257143583,0.0866225242,GGA,Cm,AB_mC12_8_3a_3a:Mg-Y,6.0,AB_mC12_8_3a_3a:Mg-Y +mp-1094452,YMg,-4.05816865,-0.0247930683,0.08598959,0.0468977558,GGA,C2/m,AB_mC8_12_i_i:Mg-Y,4.0,AB_mC8_12_i_i:Mg-Y +mp-1094413,YMg,-3.9847575183,0.0486180633,0.1594007217,0.1203088875,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Y,6.0,AB_oC12_38_2ab_a2b:Mg-Y +mp-1094407,YMg,-4.0389667733,-0.0055911917,0.1051914667,0.0660996325,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Y,6.0,AB_oC12_38_2ab_a2b:Mg-Y +mp-1094447,YMg,-4.0563639817,-0.0229884,0.0877942583,0.0487024242,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Y,6.0,AB_oC12_38_2ab_a2b:Mg-Y +mp-1094453,YMg,-4.0118986417,0.02147694,0.1322595983,0.0931677642,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Y,6.0,AB_oC12_38_ae_bd:Mg-Y +mp-1094701,YMg,-4.14042901,-0.1070534283,0.00372923,-0.0353626042,GGA,Pmma,AB_oP4_51_e_f:Mg-Y,4.0,AB_oP4_51_e_f:Mg-Y +mp-1094695,YMg,-4.00557565,0.0277999317,0.13858259,0.0994907558,GGA,Pmmn,AB_oP4_59_a_b:Mg-Y,4.0,AB_oP4_59_a_b:Mg-Y +mp-1094870,YMg,-3.9890977025,0.0442778792,0.1550605375,0.1159687033,GGA,P-3m1,AB_hP4_164_d_d:Mg-Y,4.0,AB_hP4_164_d_d:Mg-Y +mp-1094363,YMg,-3.998407015,0.0349685667,0.145751225,0.1066593908,GGA,R-3m,AB_hR6_166_a_b:Mg-Y,2.0,AB_hR6_166_a_b:Mg-Y +mp-1094902,YMg,-2.8138135175,1.2195620642,1.3303447225,1.2912528883,GGA,P6_3mc,AB_hP4_186_b_b:Mg-Y,4.0,AB_hP4_186_b_b:Mg-Y +mp-1094487,YMg,-4.00408179,0.0292937917,0.14007645,0.1009846158,GGA,P-6m2,AB_hP6_187_ah_dg:Mg-Y,6.0,"Invalid WP multiplicities - AB_hP6_187_a2h_dg:Mg-Y, expected Y3Mg5 to be YMg" +mp-1094391,YMg,-2.811685155,1.2216904267,1.332473085,1.2933812508,GGA,F-43m,AB_cF8_216_a_c:Mg-Y,2.0,AB_cF8_216_a_c:Mg-Y +mp-615,YMg,-4.14415824,-0.1107826583,0.0,-0.0390918342,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Y,2.0,AB_cP2_221_a_b:Mg-Y +mp-1094402,YMg,-3.688233415,0.3451421667,0.455924825,0.4168329908,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Y,2.0,AB_cF8_225_a_b:Mg-Y +mp-1988,Y5Mg24,-2.493367119,-0.0540886098,0.0160790444,0.0160790444,GGA,I-43m,A24B5_cI58_217_2g_ac:Mg-Y,29.0,"Invalid WP multiplicities - A24B5_cI58_217_3g_ac:Mg-Y, expected Y5Mg36 to be Y5Mg24" +mp-1216163,Y4Mg25,-2.3118264283,-0.0403476109,0.0206525944,0.0206525944,GGA,R3m,A25B4_hR87_160_a4b2c_ab:Mg-Y,29.0,"Invalid WP multiplicities - A25B4_hR87_160_a8b6c_ab:Mg-Y, expected Y4Mg61 to be Y4Mg25" +mp-1023510,YMg15,-1.90611215,-0.0016951585,0.0392512524,0.0392512524,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Y,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Y, expected YMg27 to be YMg15" +mp-1094411,YMg3,-2.7956671025,0.0211607133,0.1119551275,0.0939354114,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Y,4.0,A3B_oI8_44_ac_b:Mg-Y +mp-1100166,YMg3,-2.876288175,-0.0594603592,0.031334055,0.0133143389,GGA,P4/mmm,A3B_tP4_123_ae_c:Mg-Y,4.0,A3B_tP4_123_ae_c:Mg-Y +mp-1094750,YMg3,-2.7781727875,0.0386550283,0.1294494425,0.1114297264,GGA,P-6m2,A3B_hP4_187_ah_b:Mg-Y,4.0,A3B_hP4_187_ah_b:Mg-Y +mp-971794,YMg3,-2.8993013925,-0.0824735767,0.0083208375,-0.0096988786,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Y,8.0,A3B_hP8_194_h_c:Mg-Y +mp-865376,YMg3,-2.90762223,-0.0907944142,0.0,-0.0180197161,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Y,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-Y, expected YMg5 to be YMg3" +mp-1094415,Y5Mg,-5.6588140533,-0.0033747839,0.0335527689,0.0335527689,GGA,Cm,AB5_mC12_8_a_5a:Mg-Y,6.0,AB5_mC12_8_a_5a:Mg-Y +mp-1094375,Y5Mg,-5.6333076883,0.0221315811,0.0590591339,0.0590591339,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Y,6.0,AB5_oC12_38_a_2a3b:Mg-Y +mp-1094392,Y5Mg,-5.620619575,0.0348196944,0.0717472472,0.0717472472,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Y,6.0,AB5_hP6_189_a_cg:Mg-Y +mp-8780,Cr2N,-9.7203135322,-0.5061169106,0.0,-0.0450924322,GGA,P-31m,A2B_hP9_162_k_ad:Cr-N,9.0,A2B_hP9_162_k_ad:Cr-N +mp-1016063,CrN2,-8.7909462992,-0.0156005258,0.4454239525,0.4454239525,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1016069,CrN2,-8.7542488842,0.0210968892,0.4821213675,0.4821213675,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096886,CrN2,-8.8196604858,-0.0443147125,0.4167097658,0.4167097658,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096889,CrN2,-8.6486228817,0.1267228917,0.58774737,0.58774737,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096901,CrN2,-8.8393236242,-0.0639778508,0.3970466275,0.3970466275,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096899,CrN2,-8.7545525258,0.0207932475,0.4818177258,0.4818177258,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096900,CrN2,-8.7505313358,0.0248144375,0.4858389158,0.4858389158,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096928,CrN2,-8.8637174644,-0.0883716911,0.3726527872,0.3726527872,GGA,P1,AB2_aP9_1_3a_6a:Cr-N,9.0,AB2_aP9_1_3a_6a:Cr-N +mp-1096951,CrN2,-8.8868620833,-0.11151631,0.3495081683,0.3495081683,GGA,P1,AB2_aP72_1_24a_48a:Cr-N,72.0,AB2_aP72_1_24a_48a:Cr-N +mp-1443809,CrN2,-4.0993324058,4.6760133675,5.1370378458,5.1370378458,GGA,P1,AB2_aP12_1_4a_8a:Cr-N,12.0,AB2_aP12_1_4a_8a:Cr-N +mp-1096893,CrN2,-8.8610098856,-0.0856641123,0.375360366,0.375360366,GGA,P-1,AB2_aP48_2_8i_16i:Cr-N,48.0,AB2_aP48_2_8i_16i:Cr-N +mp-1015567,CrN2,-8.619160988299999,0.156184785,0.6172092633,0.6172092633,GGA,P2,AB2_mP12_3_2e_ad3e:Cr-N,12.0,AB2_mP12_3_2e_ac3e:Cr-N +mp-1016070,CrN2,-8.8897437,-0.1143979267,0.3466265517,0.3466265517,GGA,P2_1,AB2_mP12_4_2a_4a:Cr-N,12.0,AB2_mP12_4_2a_4a:Cr-N +mp-1096888,CrN2,-8.793555655,-0.0182098817,0.4428145967,0.4428145967,GGA,C2,AB2_mC24_5_2c_ab3c:Cr-N,12.0,AB2_mC24_5_2c_ab3c:Cr-N +mp-1096890,CrN2,-8.7676750708,0.0076707025,0.4686951808,0.4686951808,GGA,C2,AB2_mC24_5_2c_ab3c:Cr-N,12.0,AB2_mC24_5_2c_ab3c:Cr-N +mp-1096894,CrN2,-8.7709664425,0.0043793308,0.4654038092,0.4654038092,GGA,C2,AB2_mC24_5_2c_4c:Cr-N,12.0,AB2_mC24_5_2c_4c:Cr-N +mp-1014264,CrN2,-8.3128053233,0.46254045,0.9235649283,0.9235649283,GGA,Fm-3m,AB2_cF12_225_a_c:Cr-N,3.0,AB2_cF12_225_a_c:Cr-N +mp-1096896,CrN2,-8.6515955458,0.1237502275,0.5847747058,0.5847747058,GGA,Pm,AB2_mP12_6_2a2b_2a2b2c:Cr-N,12.0,AB2_mP12_6_2a2b_2a2b2c:Cr-N +mp-1015076,CrN2,-8.626261035,0.1490847383,0.6101092167000001,0.6101092167000001,GGA,Pc,AB2_mP12_7_2a_4a:Cr-N,12.0,AB2_mP12_7_2a_4a:Cr-N +mp-1015026,CrN2,-8.7910319908,-0.0156862175,0.4453382608,0.4453382608,GGA,Cc,AB2_mC24_9_2a_4a:Cr-N,12.0,AB2_mC24_9_2a_4a:Cr-N +mp-1097042,CrN2,-8.891077116,-0.1157313426,0.3452931357,0.3452931357,GGA,Cc,AB2_mC144_9_12a_24a:Cr-N,72.0,AB2_mC144_9_12a_24a:Cr-N +mp-1096934,CrN2,-8.8671311437,-0.0917853704,0.369239108,0.369239108,GGA,P2/m,AB2_mP84_10_7o_i3m4n10o:Cr-N,84.0,AB2_mP84_10_7o_i3m4n10o:Cr-N +mp-1016048,CrN2,-8.8641752068,-0.0888294334,0.3721950449,0.3721950449,GGA,P2_1/m,AB2_mP96_11_8f_2e15f:Cr-N,96.0,AB2_mP96_11_8f_2e15f:Cr-N +mp-1399869,CrN2,-8.6802577117,0.0950880617,0.55611254,0.55611254,GGA,C2/m,AB2_mC12_12_i_2i:Cr-N,6.0,AB2_mC12_12_i_2i:Cr-N +mp-1096906,CrN2,-8.858402265,-0.0830564917,0.3779679867,0.3779679867,GGA,C2/m,AB2_mC96_12_4j_g3i6j:Cr-N,48.0,AB2_mC96_12_4j_g3i6j:Cr-N +mp-1096911,CrN2,-8.8663305445,-0.0909847712,0.3700397071,0.3700397071,GGA,C2/m,AB2_mC132_12_g5j_3hi9j:Cr-N,66.0,AB2_mC132_12_g5j_3hi9j:Cr-N +mp-1096912,CrN2,-8.847342245,-0.0719964717,0.3890280067,0.3890280067,GGA,C2/m,AB2_mC84_12_7i_e7i3j:Cr-N,42.0,AB2_mC84_12_7i_e7i3j:Cr-N +mp-1096966,CrN2,-8.8629904331,-0.0876446598,0.3733798186,0.3733798186,GGA,C2/m,AB2_mC168_12_7j_e7i10j:Cr-N,84.0,AB2_mC168_12_7j_e7i10j:Cr-N +mp-1097059,CrN2,-8.8696798836,-0.0943341102,0.3666903681,0.3666903681,GGA,C2/m,AB2_mC168_12_7j_e7i10j:Cr-N,84.0,AB2_mC168_12_7j_e7i10j:Cr-N +mp-1096918,CrN2,-8.8626923504,-0.0873465771,0.3736779012,0.3736779012,GGA,P2_1/c,AB2_mP24_14_2e_4e:Cr-N,24.0,AB2_mP24_14_2e_4e:Cr-N +mp-1096903,CrN2,-8.8499787242,-0.0746329508,0.3863915275,0.3863915275,GGA,C2/c,AB2_mC24_15_f_cef:Cr-N,12.0,AB2_mC24_15_f_cef:Cr-N +mp-1096907,CrN2,-8.8548868744,-0.0795411011,0.3814833772,0.3814833772,GGA,C2/c,AB2_mC36_15_ef_3f:Cr-N,18.0,AB2_mC36_15_ef_3f:Cr-N +mp-1096908,CrN2,-8.8540641367,-0.0787183633,0.382306115,0.382306115,GGA,C2/c,AB2_mC48_15_2f_ae3f:Cr-N,24.0,AB2_mC48_15_2f_ce3f:Cr-N +mp-1096909,CrN2,-8.867963385,-0.0926176117,0.3684068667,0.3684068667,GGA,C2/c,AB2_mC24_15_f_cef:Cr-N,12.0,AB2_mC24_15_f_cef:Cr-N +mp-1096935,CrN2,-8.7672926128,0.0080531606,0.4690776389,0.4690776389,GGA,C2/c,AB2_mC36_15_ef_3f:Cr-N,18.0,AB2_mC36_15_ef_3f:Cr-N +mp-1096965,CrN2,-8.8461246493,-0.070778876,0.3902456024,0.3902456024,GGA,C2/c,AB2_mC168_15_7f_14f:Cr-N,84.0,AB2_mC168_15_7f_14f:Cr-N +mp-1096957,CrN2,-8.8836711126,-0.1083253393,0.352699139,0.352699139,GGA,P2_12_12_1,AB2_oP72_19_6a_12a:Cr-N,72.0,AB2_oP72_19_6a_12a:Cr-N +mp-1096910,CrN2,-8.8396167492,-0.0642709758,0.3967535025,0.3967535025,GGA,C222_1,AB2_oC24_20_c_abc:Cr-N,12.0,AB2_oC24_20_c_abc:Cr-N +mp-1097738,CrN2,-8.8898849292,-0.1145391558,0.3464853225,0.3464853225,GGA,C222_1,AB2_oC24_20_c_abc:Cr-N,12.0,AB2_hP12_182_f_cg:Cr-N +mp-1014910,CrN2,-8.7173481808,0.0579975925,0.5190220708000001,0.5190220708000001,GGA,I2_12_12_1,AB2_oI24_24_2a_bcd:Cr-N,12.0,AB2_oI24_24_2a_bcd:Cr-N +mp-1096913,CrN2,-8.8862894725,-0.1109436992,0.3500807792,0.3500807792,GGA,Pna2_1,AB2_oP12_33_a_2a:Cr-N,12.0,AB2_oP12_33_a_2a:Cr-N +mp-1014342,CrN2,-8.8907252425,-0.1153794692,0.3456450092,0.3456450092,GGA,Ama2,AB2_oC24_40_c_abc:Cr-N,12.0,AB2_oC24_40_c_abc:Cr-N +mp-1016058,CrN2,-8.8758361558,-0.1004903825,0.3605340958,0.3605340958,GGA,Ima2,AB2_oI24_46_c_abc:Cr-N,12.0,AB2_oI24_46_c_abc:Cr-N +mp-1080200,CrN2,-9.0780090617,-0.3026632883,0.15836119,0.15836119,GGA,Pnnm,AB2_oP6_58_a_g:Cr-N,6.0,AB2_oP6_58_a_g:Cr-N +mp-1097039,CrN2,-8.8574872807,-0.0821415074,0.3788829709,0.3788829709,GGA,Pnnm,AB2_oP108_58_e4h_fg8h:Cr-N,108.0,AB2_oP108_58_e4h_fg8h:Cr-N +mp-1096917,CrN2,-8.8258674025,-0.0505216292,0.4105028492,0.4105028492,GGA,Pbcn,AB2_oP36_60_cd_3d:Cr-N,36.0,"Invalid WP multiplicities - AB2_oP36_60_cd_4d:Cr-N, expected Cr3N8 to be CrN2" +mp-1015582,CrN2,-8.733243555,0.0421022183,0.5031266967,0.5031266967,GGA,Pbcn,AB2_oP12_60_c_d:Cr-N,12.0,AB2_oP12_60_c_d:Cr-N +mp-1014565,CrN2,-8.8835085049,-0.1081627315,0.3528617468,0.3528617468,GGA,Cmcm,AB2_oC144_63_2f2h_2cdef2g3h:Cr-N,72.0,AB2_oC144_63_2f2h_2cdef2g3h:Cr-N +mp-1096968,CrN2,-8.8687415352,-0.0933957619,0.3676287165,0.3676287165,GGA,Cmcm,AB2_oC192_63_2f3h_2cef3g5h:Cr-N,96.0,AB2_oC192_63_2f3h_2cef3g5h:Cr-N +mp-1097018,CrN2,-8.8718795322,-0.0965337589,0.3644907195,0.3644907195,GGA,Cmcm,AB2_oC192_63_4h_2efg6h:Cr-N,96.0,AB2_oC192_63_4h_2efg6h:Cr-N +mp-1096924,CrN2,-8.8607413267,-0.0853955533,0.375628925,0.375628925,GGA,Fmmm,AB2_oF216_69_f2mp_himn3p:Cr-N,54.0,AB2_oF216_69_f2mp_himn3p:Cr-N +mp-1096922,CrN2,-8.8583272367,-0.0829814633,0.378043015,0.378043015,GGA,Immm,AB2_oI108_71_emno_fgkm2n2o:Cr-N,54.0,AB2_oI108_71_emno_fgkm2n2o:Cr-N +mp-1096962,CrN2,-8.8585481577,-0.0832023844,0.377822094,0.377822094,GGA,Immm,AB2_oI192_71_2m3o_eflm3n5o:Cr-N,96.0,AB2_oI192_71_2m3o_eflm3n5o:Cr-N +mp-1014478,CrN2,-8.6093030283,0.166042745,0.6270672233,0.6270672233,GGA,Ibam,AB2_oI12_72_a_j:Cr-N,6.0,AB2_oI12_72_a_j:Cr-N +mp-1016081,CrN2,-8.8587102812,-0.0833645079,0.3776599704,0.3776599704,GGA,Imma,AB2_oI96_74_2e3h_aeg3hij:Cr-N,48.0,AB2_oI96_74_2e3h_aeg3hij:Cr-N +mp-1096931,CrN2,-8.8655272651,-0.0901814918,0.3708429865,0.3708429865,GGA,Imma,AB2_oI144_74_2h2j_2efgh2i3j:Cr-N,72.0,AB2_oI144_74_2h2j_2efgh2i3j:Cr-N +mp-1096961,CrN2,-8.8560255013,-0.0806797279,0.3803447504,0.3803447504,GGA,Imma,AB2_oI192_74_2h3j_2efh3i5j:Cr-N,96.0,AB2_oI192_74_2h3j_2efh3i5j:Cr-N +mp-1097757,CrN2,-8.6644376589,0.1109081144,0.5719325928,0.5719325928,GGA,P4_12_12,AB2_tP36_92_ab_3b:Cr-N,36.0,AB2_tP36_92_ab_3b:Cr-N +mp-1097766,CrN2,-8.5645722911,0.2107734822,0.6717979606000001,0.6717979606000001,GGA,P4_12_12,AB2_tP36_92_ab_3b:Cr-N,36.0,AB2_tP36_92_ab_3b:Cr-N +mp-1014339,CrN2,-8.8708823997,-0.0955366264,0.3654878519,0.3654878519,GGA,P4_32_12,AB2_tP36_96_ab_3b:Cr-N,36.0,AB2_tP36_96_ab_3b:Cr-N +mp-1097032,CrN2,-8.8607935143,-0.0854477409,0.3755767374,0.3755767374,GGA,P4_2/mmc,AB2_tP96_131_nor_gjopq2r:Cr-N,96.0,AB2_tP96_131_nor_gjopq2r:Cr-N +mp-1014366,CrN2,-8.721682833300001,0.05366294,0.5146874183,0.5146874183,GGA,P4_2/mnm,AB2_tP6_136_a_f:Cr-N,6.0,AB2_tP6_136_a_f:Cr-N +mp-1016059,CrN2,-8.8331370138,-0.0577912404,0.4032332379,0.4032332379,GGA,I4_1/amd,AB2_tI96_141_i_fg2h:Cr-N,48.0,AB2_tI96_141_i_fg2h:Cr-N +mp-1096914,CrN2,-8.85390668,-0.0785609067,0.3824635717,0.3824635717,GGA,P3_221,AB2_hP9_154_a_c:Cr-N,9.0,AB2_hP9_154_a_c:Cr-N +mp-1015908,CrN2,-8.7886841522,-0.0133383789,0.4476860994,0.4476860994,GGA,P3_221,AB2_hP9_154_a_c:Cr-N,9.0,AB2_hP9_154_a_c:Cr-N +mp-1014995,CrN2,-8.8680131267,-0.0926673533,0.368357125,0.368357125,GGA,R-3m,AB2_hR108_166_i_fg2h:Cr-N,36.0,AB2_hR108_166_i_fg2h:Cr-N +mp-1015612,CrN2,-8.6697343333,0.10561144,0.5666359183,0.5666359183,GGA,P6_222,AB2_hP9_180_c_j:Cr-N,9.0,AB2_hP9_180_c_j:Cr-N +mp-1016073,CrN2,-8.81060194,-0.0352561667,0.4257683117,0.4257683117,GGA,P6_3/mmc,AB2_hP36_194_k_ghk:Cr-N,36.0,AB2_hP36_194_k_ghk:Cr-N +mp-1096919,CrN2,-8.8801098704,-0.1047640971,0.3562603812,0.3562603812,GGA,P2_13,AB2_cP24_198_2a_ab:Cr-N,24.0,AB2_cP24_198_2a_ab:Cr-N +mp-1014993,CrN2,-8.9396116475,-0.1642658742,0.2967586042,0.2967586042,GGA,Pa-3,AB2_cP12_205_a_c:Cr-N,12.0,AB2_cP12_205_a_c:Cr-N +mp-1014373,CrN2,-8.8869516467,-0.1116058733,0.349418605,0.349418605,GGA,Fd-3m,AB2_cF24_227_a_c:Cr-N,6.0,AB2_cF24_227_a_c:Cr-N +mp-1016076,CrN2,-8.6958457325,0.0795000408,0.5405245192,0.5405245192,GGA,Fd-3m,AB2_cF96_227_e_cf:Cr-N,24.0,AB2_cF96_227_e_cf:Cr-N +mp-1015780,CrN2,-8.888360436,-0.1130146626,0.3480098157,0.3480098157,GGA,Fd-3m,AB2_cF408_227_aeg_efgh:Cr-N,102.0,AB2_cF408_227_aeg_efgh:Cr-N +mp-1016078,CrN2,-8.6936080137,0.0817377596,0.5427622379,0.5427622379,GGA,Im-3m,AB2_cI144_229_j_ghi:Cr-N,72.0,AB2_cI144_229_j_ghi:Cr-N +mp-1232782,CrN,-9.63873776,-0.6439665625000001,0.047570155,-0.1184524258,GGA,C2/m,AB_mC8_12_i_ad:Cr-N,8.0,"Invalid WP multiplicities - AB_mC8_12_i_2a2d:Cr-N, expected CrN2 to be CrN" +mp-1232890,CrN,-9.66379626,-0.6690250625,0.022511655,-0.1435109258,GGA,Pmmn,AB_oP4_59_a_b:Cr-N,8.0,AB_oP4_59_a_b:Cr-N +mp-1232897,CrN,-9.60938769,-0.6146164925000001,0.076920225,-0.0891023558,GGA,P4/nmm,AB_tP4_129_c_c:Cr-N,8.0,AB_tP4_129_c_c:Cr-N +mp-1232560,CrN,-9.64524316,-0.6504719625000001,0.041064755,-0.1249578258,GGA,R-3m,AB_hR6_166_a_b:Cr-N,4.0,AB_hR6_166_a_b:Cr-N +mp-1183691,CrN,-9.686307915,-0.6915367175,0.0,-0.1660225808,GGA,P-6m2,AB_hP2_187_a_d:Cr-N,2.0,AB_hP2_187_a_d:Cr-N +mp-1018157,CrN,-9.657572385,-0.6628011875,0.02873553,-0.1372870508,GGA,F-43m,AB_cF8_216_a_c:Cr-N,2.0,AB_cF8_216_a_c:Cr-N +mp-1009485,CrN,-9.007504155,-0.0127329575,0.67880376,0.5127811792,GGA,Pm-3m,AB_cP2_221_a_b:Cr-N,2.0,AB_cP2_221_a_b:Cr-N +mp-2132,CrN,-9.6380898213,-0.6433186237,0.0482180938,-0.1178044871,GGA,Fm-3m,AB_cF8_225_a_b:Cr-N,8.0,AB_cF8_225_a_b:Cr-N +mp-12584,Th2CrN3,-9.77762697,-1.5292521792,0.0,-0.0330634896,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Th,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Th +mp-1014358,Cr3N4,-9.2636155121,-0.3628837821,0.2298619757,0.2298619757,GGA,Pnma,A3B4_oP28_62_a2c_2cd:Cr-N,28.0,A3B4_oP28_62_a2c_2cd:Cr-N +mp-1014365,Cr3N4,-9.2990868454,-0.3983551154,0.1943906425,0.1943906425,GGA,Pnma,A3B4_oP28_62_3c_4c:Cr-N,28.0,A3B4_oP28_62_3c_4c:Cr-N +mp-1014369,Cr3N4,-9.3757571479,-0.4750254179,0.11772034,0.11772034,GGA,P31c,A3B4_hP28_159_2c_ab2c:Cr-N,28.0,A3B4_hP28_159_2c_ab2c:Cr-N +mp-1015065,Cr3N4,-9.2273242193,-0.3265924893,0.2661532686,0.2661532686,GGA,P31c,A3B4_hP28_159_2c_2a2c:Cr-N,28.0,A3B4_hP28_159_2c_2a2c:Cr-N +mp-1014345,Cr3N4,-9.410132495,-0.509400765,0.0833449929,0.0833449929,GGA,P6_3/m,A3B4_hP14_176_h_ch:Cr-N,14.0,A3B4_hP14_176_h_ch:Cr-N +mp-1014558,Cr3N4,-9.3816812714,-0.4809495414,0.1117962164,0.1117962164,GGA,P6_3/m,A3B4_hP14_176_h_ch:Cr-N,14.0,A3B4_hP14_176_h_ch:Cr-N +mp-1016071,Cr3N4,-8.9186020926,-0.0178703626,0.5748753952,0.5748753952,GGA,P6_3/m,A3B4_hP42_176_hi_2hi:Cr-N,42.0,A3B4_hP42_176_hi_2hi:Cr-N +mp-1014347,Cr3N4,-9.3309322157,-0.4302004857,0.1625452721,0.1625452721,GGA,I-43d,A3B4_cI28_220_a_c:Cr-N,14.0,A3B4_cI28_220_a_c:Cr-N +mp-1014460,Cr3N4,-9.2155234629,-0.3147917329,0.277954025,0.277954025,GGA,Pm-3m,A3B4_cP7_221_d_ac:Cr-N,7.0,A3B4_cP7_221_d_ac:Cr-N +mp-1014379,Cr3N4,-9.3855950814,-0.4848633514,0.1078824064,0.1078824064,GGA,Fd-3m,A3B4_cF56_227_ad_e:Cr-N,14.0,A3B4_cF56_227_ad_e:Cr-N +mp-1014303,Cr3N2,-9.618785344,-0.492358892,0.0879259413,0.0879259413,GGA,I4/mmm,A3B2_tI10_139_ae_e:Cr-N,5.0,A3B2_tI10_139_ae_e:Cr-N +mp-1096898,Cr3N2,-9.6420299247,-0.5156034727000001,0.0646813607,0.0646813607,GGA,C2/m,A3B2_mC30_12_a4i_3i:Cr-N,15.0,A3B2_mC30_12_a4i_3i:Cr-N +mp-1014444,Cr3N2,-9.5551534935,-0.4287270415,0.1515577918,0.1515577918,GGA,Pbcn,A3B2_oP20_60_cd_d:Cr-N,20.0,A3B2_oP20_60_cd_d:Cr-N +mp-1014509,Cr3N2,-8.552657438,0.573769014,1.1540538473,1.1540538473,GGA,P321,A3B2_hP5_150_e_d:Cr-N,5.0,A3B2_hP5_150_e_d:Cr-N +mp-1097803,Cr3N2,-8.864343269999999,0.262083182,0.8423680153,0.8423680153,GGA,P321,A3B2_hP5_150_e_d:Cr-N,5.0,A3B2_hP5_150_e_d:Cr-N +mp-1014454,Cr3N2,-9.391345446,-0.264918994,0.3153658393,0.3153658393,GGA,P-3m1,A3B2_hP5_164_ad_d:Cr-N,5.0,A3B2_hP5_164_ad_d:Cr-N +mp-1096882,Cr3N2,-9.674499309,-0.5480728570000001,0.0322119763,0.0322119763,GGA,R-3c,A3B2_hR30_167_e_c:Cr-N,10.0,A3B2_hR30_167_e_c:Cr-N +mp-1096885,Cr3N2,-9.325242185,-0.198815733,0.3814691003,0.3814691003,GGA,P6_3/mmc,A3B2_hP10_194_bf_ac:Cr-N,10.0,A3B2_hP10_194_bf_ac:Cr-N +mp-1097796,Cr3N2,-9.59297565,-0.466549198,0.1137356353,0.1137356353,GGA,I2_13,A3B2_cI80_199_2c_a2b:Cr-N,40.0,A3B2_cI80_206_e_ad:Cr-N +mp-1014318,Cr3N2,-9.5928485718,-0.4664221197,0.1138627136,0.1138627136,GGA,Ia-3,A3B2_cI80_206_e_ad:Cr-N,40.0,A3B2_cI80_206_e_ad:Cr-N +mp-674366,Tl3SiF7,-5.097600065,-2.7436364066000003,0.0208702457,0.0208702457,GGA,P1,A7BC3_aP22_1_14a_2a_6a:F-Si-Tl,22.0,A7BC3_aP22_1_14a_2a_6a:F-Si-Tl +mp-1133284,Tl3SiF7,-5.1096125205,-2.755648862,0.0088577902,0.0088577902,GGA,Cmc2_1,A7BC3_oC44_36_3a2b_a_ab:F-Si-Tl,22.0,"Invalid WP multiplicities - A7BC3_oC44_36_6a7b_a_2ab:F-Si-Tl, expected Tl4SiF20 to be Tl3SiF7" +mp-972767,Si3F,-4.8464341925,-0.2995759281,0.7861975844,0.7861975844,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Si,4.0,AB3_cF16_225_a_bc:F-Si +mp-558134,TlF,-4.0978045475,-1.9607434904,0.0060649262,-0.2927448247,GGA,Aem2,AB_oC8_39_c_c:F-Tl,4.0,AB_oC8_39_c_c:F-Tl +mp-720,TlF,-4.1038694737,-1.9668084167,0.0,-0.298809751,GGA,Pbcm,AB_oP8_57_d_d:F-Tl,8.0,AB_oP8_57_d_d:F-Tl +mp-557835,TlF,-4.09829668,-1.9612356229,0.0055727937,-0.2932369572,GGA,P4/nmm,AB_tP4_129_c_c:F-Tl,4.0,AB_tP4_129_c_c:F-Tl +mp-2175,TlF,-4.068006635,-1.9309455779,0.0358628387,-0.2629469122,GGA,Fm-3m,AB_cF8_225_a_b:F-Tl,2.0,AB_cF8_225_a_b:F-Tl +mp-1206414,Tl2F3,-4.093543038,-2.0015983988,0.0185830565,0.0185830565,GGA,Pm-3m,A3B2_cP5_221_c_ab:F-Tl,5.0,A3B2_cP5_221_c_ab:F-Tl +mp-1818,SiF4,-6.08872202,-3.47447524,0.0,-3.3945883258,GGA,I-43m,A4B_cI10_217_c_a:F-Si,5.0,A4B_cI10_217_c_a:F-Si +mp-5033,Tl2SiF6,-5.3439371633,-2.9417729269,0.0,-0.0530080689,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:F-Si-Tl,9.0,A6BC2_cF36_225_e_a_c:F-Si-Tl +mp-979262,Tl3F,-2.956848955,-0.7069968531,0.2764073552,0.2764073552,GGA,I4/mmm,AB3_tI8_139_a_bd:F-Tl,4.0,AB3_tI8_139_a_bd:F-Tl +mp-2632,TlF3,-4.1245110256,-2.1002410133,0.0,-0.8492420141,GGA,Pnma,A3B_oP16_62_cd_c:F-Tl,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:F-Tl, expected TlF5 to be TlF3" +mp-1008965,CdN,-3.63477448,0.9949178625,0.9949178625,0.9949178625,GGA,P-6m2,AB_hP2_187_a_d:Cd-N,2.0,AB_hP2_187_a_d:Cd-N +mp-1008483,CdN,-3.66922949,0.9604628525,0.9604628525,0.9604628525,GGA,P6_3/mmc,AB_hP4_194_a_c:Cd-N,4.0,AB_hP4_194_a_c:Cd-N +mp-1008921,CdN,-3.68778178,0.9419105625,0.9419105625,0.9419105625,GGA,F-43m,AB_cF8_216_a_c:Cd-N,2.0,AB_cF8_216_a_c:Cd-N +mp-1008489,CdN,-3.45600364,1.1736887025,1.1736887025,1.1736887025,GGA,Pm-3m,AB_cP2_221_a_b:Cd-N,2.0,AB_cP2_221_a_b:Cd-N +mp-1008918,CdN,-3.76936217,0.8603301725,0.8603301725,0.8603301725,GGA,Fm-3m,AB_cF8_225_a_b:Cd-N,2.0,AB_cF8_225_a_b:Cd-N +mp-1245697,Cd5(SiN3)2,-5.1793939831,-0.1421590285,0.3243614677,0.3243614677,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Cd-N-Si,26.0,A5B6C2_mC52_15_e2f_3f_f:Cd-N-Si +mp-1244914,Si3N4,-7.7468294135,-0.6579817292,0.6416110815,0.1707784861,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1244972,Si3N4,-7.7358436427,-0.6469959584,0.6525968523,0.181764257,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1245123,Si3N4,-7.6426020969,-0.5537544126,0.7458383981000001,0.2750058028,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1245229,Si3N4,-8.0240420318,-0.9351943475,0.3643984632,-0.1064341322,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1245249,Si3N4,-7.8020875199,-0.7132398356,0.5863529751000001,0.1155203797,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1245263,Si3N4,-8.0018678947,-0.9130202104,0.3865726003,-0.084259995,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-1245287,Si3N4,-7.7627173612,-0.673869677,0.6257231338,0.1548905384,GGA,P1,A4B3_aP105_1_60a_45a:N-Si,105.0,A4B3_aP105_1_60a_45a:N-Si +mp-641539,Si3N4,-8.1007344586,-1.0118867743,0.2877060364,-0.1831265589,GGA,Pnma,A4B3_oP28_62_2cd_a2c:N-Si,28.0,"Invalid WP multiplicities - A4B3_oP28_62_7c5d_2a7c:N-Si, expected Si9N17 to be Si3N4" +mp-603694,Si3N4,-7.6446989021,-0.5558512179,0.7437415929000001,0.2729089975,GGA,P31c,A4B3_hP28_159_ab2c_2c:N-Si,28.0,"Invalid WP multiplicities - A4B3_hP28_159_2a2b5c_8c:N-Si, expected Si24N19 to be Si3N4" +mp-2245,Si3N4,-8.3882705871,-1.2994229029,0.0001699079,-0.4706626875,GGA,P31c,A4B3_hP28_159_ab2c_2c:N-Si,28.0,A4B3_hP28_159_ab2c_2c:N-Si +mp-568867,Si3N4,-7.6815515204,-0.5927038361,0.7068889746,0.2360563793,GGA,P31c,A4B3_hP28_159_2a2c_2c:N-Si,28.0,"Invalid WP multiplicities - A4B3_hP28_159_4a12c_4c:N-Si, expected Si3N10 to be Si3N4" +mp-583712,Si3N4,-7.7535570721,-0.6647093879,0.6348834229,0.1640508275,GGA,P6_3/m,A4B3_hP42_176_2hi_hi:N-Si,42.0,"Invalid WP multiplicities - A4B3_hP42_176_8h5i_4h5i:N-Si, expected Si7N9 to be Si3N4" +mp-988,Si3N4,-8.388440495,-1.2995928107,0.0,-0.4708325954,GGA,P6_3/m,A4B3_hP14_176_ch_h:N-Si,14.0,A4B3_hP14_176_ch_h:N-Si +mp-40793,Si3N4,-7.8933283529,-0.8044806686,0.4951121421,0.0242795468,GGA,P6_3/mmc,A4B3_hP14_194_ch_h:N-Si,14.0,"Invalid WP multiplicities - A4B3_hP14_194_2c3h_h:N-Si, expected Si3N11 to be Si3N4" +mp-11607,Si3N4,-8.288942955,-1.2000952707,0.09949754,-0.3713350554,GGA,I-43d,A4B3_cI28_220_c_a:N-Si,14.0,A4B3_cI28_220_c_a:N-Si +mp-2075,Si3N4,-8.241300825,-1.1524531407,0.14713967,-0.3236929254,GGA,Fd-3m,A4B3_cF56_227_e_ad:N-Si,14.0,A4B3_cF56_227_e_ad:N-Si +mp-1246887,Cd7SiN6,-4.2399787304,0.1817724054,0.3983712071,0.3983712071,GGA,Cmcm,A7B6C_oC56_63_cfh_efg_c:Cd-N-Si,28.0,A7B6C_oC56_63_cfh_efg_c:Cd-N-Si +mp-1247495,Cd2Si5N8,-7.2998774607,-0.9222555227,0.0885388857,0.0885388857,GGA,Pbca,A2B8C5_oP120_61_2c_8c_5c:Cd-N-Si,120.0,A2B8C5_oP120_61_2c_8c_5c:Cd-N-Si +mp-1080623,Si2N3,-8.029119333,-0.857095166,0.355858124,0.355858124,GGA,Cmc2_1,A3B2_oC20_36_ab_b:N-Si,10.0,A3B2_oC20_36_ab_b:N-Si +mp-569957,Cd3N2,-3.4722277207,0.4161041053,0.4161041053,0.4161041053,GGA,Ia-3,A3B2_cI80_206_e_ad:Cd-N,40.0,"Invalid WP multiplicities - A3B2_cI80_206_e_2a2d:Cd-N, expected Cd3N4 to be Cd3N2" +mp-1246975,CdSiN2,-6.48047837,-0.72517896,0.0329168463,0.0329168463,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Cd-N-Si,16.0,AB2C_oP16_33_a_2a_a:Cd-N-Si +mp-1245559,CdSiN2,-6.425670952,-0.670371542,0.0877242642,0.0877242642,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cd-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:Cd-N-Si +mp-1245562,CdSiN2,-6.4749057688,-0.7196063588,0.0384894475,0.0384894475,GGA,I-42d,AB2C_tI16_122_a_d_b:Cd-N-Si,8.0,AB2C_tI16_122_a_d_b:Cd-N-Si +mp-1246101,CdSi7N10,-7.8616900978,-1.0691864744,0.1100736686,0.1100736686,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Cd-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Cd-N-Si +mp-570471,CdN6,-7.1424437787,0.1349646941,0.1349646941,0.1349646941,GGA,Pbca,AB6_oP56_61_c_6c:Cd-N,56.0,"Invalid WP multiplicities - AB6_oP56_61_c_39c:Cd-N, expected CdN39 to be CdN6" +mp-971682,Si3N2,-7.2485392995,-0.6587505115,0.250964456,0.250964456,GGA,Pm-3m,A2B3_cP20_221_g_i:N-Si,20.0,A2B3_cP20_221_g_i:N-Si +mp-1092225,CeLuS3,-6.921287421,-2.3486095659,0.010569843,0.010569843,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ce-Lu-S,10.0,ABC3_oC20_63_c_a_cf:Ce-Lu-S +mp-1205797,CeLuS3,-6.78681457,-2.2141367149,0.145042694,0.145042694,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Ce-Lu-S,10.0,ABC3_oC20_63_a_c_cf:Ce-Lu-S +mp-1180929,Lu2S3,-6.497204203,-2.2069540749,0.142075541,-0.023882347,GGA,C2/c,A2B3_mC20_15_f_ef:Lu-S,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Lu-S, expected LuS4 to be Lu2S3" +mp-1188532,Lu2S3,-6.606914664,-2.3166645359,0.03236508,-0.133592808,GGA,Pnma,A2B3_oP20_62_2c_3c:Lu-S,20.0,A2B3_oP20_62_2c_3c:Lu-S +mp-32642,Lu2S3,-6.5760045535,-2.2857544254,0.0632751905,-0.1026826975,GGA,I-42d,A2B3_tI80_122_cde_3e:Lu-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_16e:Lu-S, expected Lu17S32 to be Lu2S3" +mp-2826,Lu2S3,-6.639279744,-2.3490296159,0.0,-0.165957888,GGA,R-3c,A2B3_hR30_167_c_e:Lu-S,10.0,A2B3_hR30_167_c_e:Lu-S +mp-1193977,Lu2S3,-6.6053366593,-2.3150865312,0.0339430847,-0.1320148033,GGA,P6_3cm,A2B3_hP30_185_2a2b_3c:Lu-S,30.0,A2B3_hP30_185_2a2b_3c:Lu-S +mp-1222266,Lu3S4,-6.5902742829,-2.2890384218,0.0,-0.0045105171,GGA,I4/mmm,A3B4_tI14_139_ad_ce:Lu-S,7.0,"Invalid WP multiplicities - A3B4_tI14_139_a2d_2c2e:Lu-S, expected Lu5S8 to be Lu3S4" +mp-1105574,Ce(LuS2)3,-6.806000594,-2.3745366024,0.0,-0.0257170115,GGA,P2_1/m,AB3C6_mP20_11_e_3e_6e:Ce-Lu-S,20.0,AB3C6_mP20_11_e_3e_6e:Ce-Lu-S +mp-680039,Ce4(LuS2)11,-6.7694161978,-2.3244240516,0.0424893378,0.0424893378,GGA,C2/m,A4B11C22_mC74_12_2i_a5i_11i:Ce-Lu-S,37.0,"Invalid WP multiplicities - A4B11C22_mC74_12_2i_a9i_20i:Ce-Lu-S, expected Ce4Lu19S40 to be Ce4(LuS2)11" +mp-1018792,LuS2,-6.20043286,-1.9358161088,0.0217085711,0.0217085711,GGA,P4/nmm,AB2_tP6_129_c_ac:Lu-S,6.0,AB2_tP6_129_c_ac:Lu-S +mp-10195,LuS2,-4.5292667417,-0.2646499904,1.6928746895,1.6928746895,GGA,Fd-3m,AB2_cF24_227_a_d:Lu-S,6.0,AB2_cF24_227_a_d:Lu-S +mp-656,LuS,-6.45197382,-2.1232736266,0.0,-0.1203650075,GGA,Fm-3m,AB_cF8_225_a_b:Lu-S,2.0,AB_cF8_225_a_b:Lu-S +mp-1826,Ta3S2,-9.72783894,-0.9585924152,0.0,-0.0473732436,GGA,Aem2,A2B3_oC40_39_2d_2c2d:S-Ta,20.0,A2B3_oC40_39_2d_2c2d:S-Ta +mp-1218055,Ta7S12,-8.3651288289,-1.3839792599,0.0,-0.006440231,GGA,C2/m,A12B7_mC38_12_2i2j_aij:S-Ta,19.0,"Invalid WP multiplicities - A12B7_mC38_12_4i2j_a2ij:S-Ta, expected Ta9S16 to be Ta7S12" +mp-558552,Ta6S,-11.0904581571,-0.3357273504,0.0066270836,0.0066270836,GGA,P-1,AB6_aP14_2_i_ad5i:S-Ta,14.0,"Invalid WP multiplicities - AB6_aP14_2_i_ad9i:S-Ta, expected Ta10S to be Ta6S" +mp-1425201,Ta6S,-6.96706703,3.7876637767,4.1300182107,4.1300182107,GGA,P-1,AB6_aP14_2_i_ad5i:S-Ta,14.0,"Invalid WP multiplicities - AB6_aP14_2_i_ad9i:S-Ta, expected Ta10S to be Ta6S" +mp-27467,Ta6S,-11.0914917318,-0.3367609251,0.0055935089,0.0055935089,GGA,C2/c,AB6_mC56_15_f_6f:S-Ta,28.0,AB6_mC56_15_f_6f:S-Ta +mp-1411,TaS2,-8.0910159933,-1.3807902054,0.00300565,-0.0206161686,GGA,Fmm2,A2B_oF12_42_c_a:S-Ta,3.0,A2B_oF12_42_c_a:S-Ta +mp-1217915,TaS2,-8.0910490417,-1.3808232538,0.0029726017,-0.020649217,GGA,Cmcm,A2B_oC12_63_f_c:S-Ta,6.0,A2B_oC12_63_f_c:S-Ta +mp-10014,TaS2,-8.0939651033,-1.3837393154,5.654e-05,-0.0235652786,GGA,R3m,A2B_hR9_160_2a_a:S-Ta,3.0,A2B_hR9_160_2a_a:S-Ta +mp-16226,TaS2,-8.086867525,-1.3766417371,0.0071541183,-0.0164677003,GGA,R3m,A2B_hR18_160_4a_2a:S-Ta,6.0,A2B_hR18_160_4a_2a:S-Ta +mp-1690,TaS2,-8.07157993,-1.3613541421,0.0224417133,-0.0011801053,GGA,P-3m1,A2B_hP3_164_d_a:S-Ta,3.0,A2B_hP3_164_d_a:S-Ta +mp-755523,TaS2,-8.073213815,-1.3629880271,0.0208078283,-0.0028139903,GGA,R-3m,A2B_hR18_166_2c_c:S-Ta,6.0,A2B_hR18_166_2c_c:S-Ta +mp-555037,TaS2,-8.0715412867,-1.3613154988,0.0224803567,-0.001141462,GGA,R-3m,A2B_hR9_166_c_a:S-Ta,3.0,A2B_hR9_166_c_a:S-Ta +mp-1179413,TaS2,-6.49047976,0.2197460279,1.6035418833,1.5799200647,GGA,P6/mmm,A2B_hP3_191_e_a:S-Ta,3.0,A2B_hP3_191_e_a:S-Ta +mp-1984,TaS2,-8.0940216433,-1.3837958554,0.0,-0.0236218186,GGA,P6_3/mmc,A2B_hP6_194_f_b:S-Ta,6.0,A2B_hP6_194_f_b:S-Ta +mp-1072086,TaS2,-8.0916388383,-1.3814130504,0.002382805,-0.0212390136,GGA,P6_3/mmc,A2B_hP6_194_e_c:S-Ta,6.0,A2B_hP6_194_e_c:S-Ta +mp-1103100,Bi2S,-4.1619926408,-0.2228499319,0.1459186558,0.1459186558,GGA,P2_1/c,A2B_mP12_14_2e_e:Bi-S,12.0,A2B_mP12_14_2e_e:Bi-S +mp-1218017,Ta5S8,-8.4648044592,-1.358613145,0.0,-0.0043812169,GGA,C2/m,A8B5_mC26_12_4i_a2i:S-Ta,13.0,"Invalid WP multiplicities - A8B5_mC26_12_6i_a4i:S-Ta, expected Ta3S4 to be Ta5S8" +mp-10628,TaS,-8.920464325,-0.9233505766,0.2209657489,0.2209657489,GGA,P-6m2,AB_hP2_187_a_d:S-Ta,2.0,AB_hP2_187_a_d:S-Ta +mp-1183481,BiS3,-4.0557540188,0.0067056639,0.4642659048,0.4642659048,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-S,8.0,AB3_hP8_194_c_h:Bi-S +mp-554389,Ta3(BiS3)2,-7.3695855736,-1.1811300872,0.0,-0.0488934791,GGA,P6_3/mcm,A2B6C3_hP22_193_d_eh_g:Bi-S-Ta,22.0,A2B6C3_hP22_193_d_eh_g:Bi-S-Ta +mp-30527,TaS3,-7.2434344954,-1.1766526878,0.0,-0.1388057962,GGA,P2_1/m,A3B_mP24_11_9e_3e:S-Ta,24.0,A3B_mP24_11_9e_3e:S-Ta +mp-1094038,TaS3,-6.40908264,-0.3423008323,0.8343518554,0.6955460592,GGA,Aea2,A3B_oC16_41_ab_a:S-Ta,8.0,A3B_oC16_41_ab_a:S-Ta +mp-530018,Ta27S50,-8.2422367762,-1.3983083431,0.0,-0.0144219764,GGA,P1,A50B27_aP77_1_50a_27a:S-Ta,77.0,A50B27_aP77_1_50a_27a:S-Ta +mp-22856,Bi2S3,-4.68184903,-0.6637834579,0.0,-0.1147111687,GGA,Pnma,A2B3_oP20_62_2c_3c:Bi-S,20.0,A2B3_oP20_62_2c_3c:Bi-S +mp-971673,BiS2,-4.6478766092,-0.6100803213,0.0,-0.0569274397,GGA,C2/m,AB2_mC24_12_2i_4i:Bi-S,12.0,AB2_mC24_12_2i_4i:Bi-S +mp-1042127,BiS2,-4.2060645933,-0.1682683054,0.4418120158,0.3848845761,GGA,I-42d,AB2_tI12_122_a_d:Bi-S,6.0,AB2_tI12_122_a_d:Bi-S +mp-555935,Ta2S,-10.0567417936,-0.7727400847,0.0260869281,0.0260869281,GGA,Pbcm,AB2_oP36_57_ce_2d2e:S-Ta,36.0,"Invalid WP multiplicities - AB2_oP36_57_3c4e_8d11e:S-Ta, expected Ta30S11 to be Ta2S" +mp-1064840,BiS,-4.2559213575,-0.2674518591,0.2857010225,0.2857010225,GGA,C2/m,AB_mC8_12_i_i:Bi-S,4.0,AB_mC8_12_i_i:Bi-S +mp-28677,BiS,-4.3218459975,-0.3333764991,0.2197763825,0.2197763825,GGA,Amm2,AB_oC40_38_d2f_d2f:Bi-S,20.0,AB_oC40_65_g2o_g2o:Bi-S +mp-581693,BiS,-4.3199230175,-0.3314535191,0.2216993625,0.2216993625,GGA,Fmm2,AB_oF96_42_3e_3e:Bi-S,24.0,"Invalid WP multiplicities - AB_oF96_42_9e_8e:Bi-S, expected Bi9S8 to be BiS" +mp-684626,As12S13,-4.506904568,-0.1195738028,0.274475902,0.274475902,GGA,P1,A12B13_aP50_1_24a_26a:As-S,50.0,A12B13_aP50_1_24a_26a:As-S +mp-1247882,As12S13,-4.5474580482,-0.160127283,0.2339224218,0.2339224218,GGA,P1,A12B13_aP50_1_24a_26a:As-S,50.0,A12B13_aP50_1_24a_26a:As-S +mp-1189572,As2S3,-4.771705612,-0.4261883299,0.0032170915,-0.0206430375,GGA,P-1,A2B3_aP20_2_4i_6i:As-S,20.0,A2B3_aP20_2_4i_6i:As-S +mp-641,As2S3,-4.7749227035,-0.4294054214,0.0,-0.023860129,GGA,P2_1/c,A2B3_mP20_14_2e_3e:As-S,20.0,A2B3_mP20_14_2e_3e:As-S +mp-1228819,As2S,-4.58932375,-0.104428191,0.1523789927,0.1523789927,GGA,I4_1/amd,A2B_tI12_141_c_b:As-S,6.0,A2B_tI12_141_c_b:As-S +mp-502,As4S5,-4.7756686567,-0.4069216617,0.0028416949,0.0028416949,GGA,P2_1/m,A4B5_mP18_11_2ef_e2f:As-S,18.0,A4B5_mP18_11_2ef_e2f:As-S +mp-684856,As24S25,-4.5452070635,-0.15275628,0.2369641534,0.2369641534,GGA,P1,A24B25_aP49_1_24a_25a:As-S,49.0,A24B25_aP49_1_24a_25a:As-S +mp-1247873,As16S17,-4.7637239215000005,-0.3738590059,0.0180479282,0.0180479282,GGA,P1,A16B17_aP33_1_16a_17a:As-S,33.0,A16B17_aP33_1_16a_17a:As-S +mp-673654,As8S9,-4.5226501702,-0.1402386383,0.2579705625,0.2579705625,GGA,P1,A8B9_aP51_1_24a_27a:As-S,51.0,A8B9_aP51_1_24a_27a:As-S +mp-31070,As8S9,-4.7788145882,-0.3964030564,0.0018061445,0.0018061445,GGA,P2/c,A8B9_mP34_13_4g_2ef3g:As-S,34.0,A8B9_mP34_13_4g_2ef3g:As-S +mp-2272716,ErAsS,-6.1484060133,-1.693976986,0.0,-0.0430737024,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Er-S,6.0,ABC_tP6_129_a_c_c:As-Er-S +mp-684081,AsS,-4.5002020356,-0.1024178997,0.2827928759,0.2736476909,GGA,P1,AB_aP48_1_24a_24a:As-S,48.0,AB_aP48_1_24a_24a:As-S +mp-705472,AsS,-4.6036459067,-0.2058617707,0.1793490049,0.1702038199,GGA,P1,AB_aP48_1_24a_24a:As-S,48.0,AB_aP48_1_24a_24a:As-S +mp-542604,AsS,-4.7565158281,-0.3587316922,0.0264790834,0.0173338984,GGA,P2_1/c,AB_mP32_14_4e_4e:As-S,32.0,AB_mP32_14_4e_4e:As-S +mp-542810,AsS,-4.7829949116,-0.3852107756,0.0,-0.009145185,GGA,P2_1/c,AB_mP32_14_4e_4e:As-S,32.0,"Invalid WP multiplicities - AB_mP32_14_12e_14e:As-S, expected As6S7 to be AsS" +mp-556328,AsS,-4.759876155,-0.3620920191,0.0231187566,0.0139735716,GGA,P2_1/c,AB_mP32_14_4e_4e:As-S,32.0,"Invalid WP multiplicities - AB_mP32_14_14e_11e:As-S, expected As14S11 to be AsS" +mp-542846,AsS,-4.7792999494,-0.3815158134,0.0036949622,-0.0054502228,GGA,C2/c,AB_mC32_15_2f_2ef:As-S,16.0,AB_mC32_15_2f_2ef:As-S +mp-1229002,AsS,-4.7267029673,-0.3289188314,0.0562919442,0.0471467592,GGA,Pca2_1,AB_oP64_29_8a_8a:As-S,64.0,AB_oP64_29_8a_8a:As-S +mp-1103186,AsS,-4.4449888525,-0.0472047166,0.3380060591,0.3288608741,GGA,Cmc2_1,AB_oC24_36_ab_ab:As-S,12.0,AB_oC24_36_ab_ab:As-S +mp-1182330,AsS,-4.5098213650000005,-0.1120372291,0.2731735466,0.2640283616,GGA,Cmc2_1,AB_oC24_36_ab_ab:As-S,12.0,AB_oC24_36_ab_ab:As-S +mp-1219764,PuZr2,-9.9228342367,0.53157896,0.53157896,0.53157896,GGA,P-6m2,AB2_hP3_187_a_cf:Pu-Zr,3.0,AB2_hP3_187_a_cf:Pu-Zr +mp-684623,Zr10C9,-9.6715152589,-0.8012523257,0.0,-0.0395325711,GGA,C2/c,A9B10_mC76_15_e4f_5f:C-Zr,38.0,"Invalid WP multiplicities - A9B10_mC76_15_2e13f_19f:C-Zr, expected Zr19C14 to be Zr10C9" +mp-1014307,ZrC,-9.523702145,-0.6355190837,0.168518435,0.1256706256,GGA,P6_3/mmc,AB_hP4_194_a_c:C-Zr,4.0,AB_hP4_194_a_c:C-Zr +mp-1009894,ZrC,-9.07896784,-0.1907847788,0.61325274,0.5704049306,GGA,F-43m,AB_cF8_216_a_c:C-Zr,2.0,AB_cF8_216_a_c:C-Zr +mp-1009878,ZrC,-8.472803715,0.4153793463,1.219416865,1.1765690556,GGA,Pm-3m,AB_cP2_221_a_b:C-Zr,2.0,AB_cP2_221_a_b:C-Zr +mp-2795,ZrC,-9.69222058,-0.8040375188000001,0.0,-0.0428478094,GGA,Fm-3m,AB_cF8_225_a_b:C-Zr,2.0,AB_cF8_225_a_b:C-Zr +mp-280,PuC,-11.666549995,0.0817019162,0.1171969467,0.1171969467,GGA,Fm-3m,AB_cF8_225_a_b:C-Pu,2.0,AB_cF8_225_a_b:C-Pu +mp-1188023,Zr3C,-7.9897388212,0.7282030244000001,1.1510861962,1.1510861962,GGA,P6_3/mmc,AB3_hP8_194_c_h:C-Zr,8.0,AB3_hP8_194_c_h:C-Zr +mp-1219663,PuZr4C5,-10.08163047,-0.6214336388,0.0288953823,0.0288953823,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:C-Pu-Zr,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a4c_b_3c:C-Pu-Zr, expected Pu(Zr2C3)3 to be PuZr4C5" +mp-1186827,Pu3Zr,-12.6346573925,0.2031465125,0.2031465125,0.2031465125,GGA,I4/mmm,A3B_tI8_139_ad_b:Pu-Zr,4.0,A3B_tI8_139_ad_b:Pu-Zr +mp-1186817,Pu3Zr,-12.6326233738,0.2051805312,0.2051805312,0.2051805312,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pu-Zr,8.0,A3B_hP8_194_h_c:Pu-Zr +mp-1206675,PuC2,-10.8979516467,0.010438125,0.0459331554,0.0459331554,GGA,I4/mmm,A2B_tI6_139_e_a:C-Pu,3.0,A2B_tI6_139_e_a:C-Pu +mp-19891,Pu2C3,-11.286928664,-0.0425940365,0.0,-0.0425940365,GGA,I-43d,A3B2_cI40_220_d_c:C-Pu,20.0,A3B2_cI40_220_d_c:C-Pu +mp-1219653,PuZr,-11.28047384,0.12729564,0.12729564,0.12729564,GGA,R-3m,AB_hR6_166_a_b:Pu-Zr,2.0,AB_hR6_166_a_b:Pu-Zr +mp-1219810,Pu4Zr,-12.579487,0.54432379,0.54432379,0.54432379,GGA,Fmmm,A4B_oF20_69_2g_a:Pu-Zr,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Pu-Zr, expected Pu6Zr to be Pu4Zr" +mp-1147682,CsNbC6,-7.4451482287,0.8509393171,1.0077968169,1.0077968169,GGA,Pm-3m,A6BC_cP8_221_e_b_a:C-Cs-Nb,8.0,A6BC_cP8_221_e_b_a:C-Cs-Nb +mp-1213691,CsC15,-8.4588132848,0.2490232626,0.2738392787,0.2738392787,GGA,Immm,A15B_oI128_71_lmn6o_eg:C-Cs,64.0,A15B_oI128_71_lmn6o_eg:C-Cs +mp-28861,CsC8,-8.34686473,-0.044117362,0.0,-0.044117362,GGA,P6/mmm,A8B_hP9_191_cl_b:C-Cs,9.0,A8B_hP9_191_cl_b:C-Cs +mp-1721,CsC10,-8.2665659708,0.2045301472,0.2406261706,0.2406261706,GGA,Im-3,A10B_cI132_204_g2h_e:C-Cs,66.0,A10B_cI132_204_g2h_e:C-Cs +mp-505806,CsC,-4.7218360562,0.340197876,0.3650138922,0.3650138922,GGA,Pnma,AB_oP16_62_2c_2c:C-Cs,16.0,"Invalid WP multiplicities - AB_oP16_62_3c_4c:C-Cs, expected Cs4C3 to be CsC" +mp-1219333,ScC2,-8.01106672,0.2521999767,0.5693214522,0.5693214522,GGA,R-3m,A2B_hR9_166_c_a:C-Sc,3.0,A2B_hR9_166_c_a:C-Sc +mp-28733,Sc3C4,-8.3951660807,-0.4077276114,0.0,-0.0067416271,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Sc,70.0,"Invalid WP multiplicities - A4B3_tP70_128_2eg2hi_aehi:C-Sc, expected Sc5C8 to be Sc3C4" +mp-15661,Sc4C3,-8.0583901,-0.4846939718,0.0,-0.0661901901,GGA,I-43d,A3B4_cI28_220_a_c:C-Sc,14.0,A3B4_cI28_220_a_c:C-Sc +mp-15957,Sc15C19,-8.3637114819,-0.4127796898,0.0017390711,0.0017390711,GGA,P4/mnc,A19B15_tP68_128_aeghi_behi:C-Sc,68.0,"Invalid WP multiplicities - A19B15_tP68_128_ae3g2h2i_behi:C-Sc, expected Sc5C13 to be Sc15C19" +mp-16296,Sc2C3,-8.338118957,-0.2679320195,0.1126137512,0.1126137512,GGA,I-43d,A3B2_cI40_220_d_c:C-Sc,20.0,A3B2_cI40_220_d_c:C-Sc +mp-999205,ScC,-7.6479397,0.1326275988,0.5788383904000001,0.5788383904000001,GGA,P6_3/mmc,AB_hP4_194_c_d:C-Sc,4.0,AB_hP4_194_c_d:C-Sc +mp-999203,ScC,-7.626745435,0.1538218638,0.6000326554000001,0.6000326554000001,GGA,P6_3/mmc,AB_hP4_194_c_a:C-Sc,4.0,AB_hP4_194_c_a:C-Sc +mp-1009751,ScC,-7.30514242,0.4754248788,0.9216356704,0.9216356704,GGA,F-43m,AB_cF8_216_a_c:C-Sc,2.0,AB_cF8_216_a_c:C-Sc +mp-1009748,ScC,-7.38696348,0.3936038187,0.8398146104,0.8398146104,GGA,Pm-3m,AB_cP2_221_a_b:C-Sc,2.0,AB_cP2_221_a_b:C-Sc +mp-10020,ScC,-7.918663175,-0.1380958762,0.3081149154,0.3081149154,GGA,Fm-3m,AB_cF8_225_a_b:C-Sc,2.0,AB_cF8_225_a_b:C-Sc +mp-680422,CBr4,-3.3717224739,-0.2835667114,0.0,-0.2835667114,GGA,C2/c,A4B_mC160_15_16f_4f:Br-C,80.0,"Invalid WP multiplicities - A4B_mC160_15_62f_14f:Br-C, expected C7Br31 to be CBr4" +mp-1214506,C15Br7,-6.6906690101,0.0957482943,0.2085305091,0.2085305091,GGA,P-1,A7B15_aP88_2_14i_30i:Br-C,88.0,A7B15_aP88_2_14i_30i:Br-C +mp-29941,Sc2C,-7.72055704,-0.4226891392,0.0,-0.0457049389,GGA,P-3m1,AB2_hP3_164_a_d:C-Sc,3.0,AB2_hP3_164_a_d:C-Sc +mp-987456,Sc7CBr12,-3.633777796,-0.0241633366,1.885662099,1.7445792612000002,GGA,P1,A12BC7_aP20_1_12a_a_7a:Br-C-Sc,20.0,A12BC7_aP20_1_12a_a_7a:Br-C-Sc +mp-504921,Sc7CBr12,-5.519439895,-1.9098254356,0.0,-0.1410828377,GGA,R3,A12BC7_hR60_146_4b_a_a2b:Br-C-Sc,20.0,A12BC7_hR60_146_4b_a_a2b:Br-C-Sc +mp-30841,UPd3,-7.2490327819,-0.5412689219,0.0,-0.5412689219,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Pd-U,16.0,A3B_hP16_194_gh_ac:Pd-U +mp-1077277,UPb2,-6.02949386,0.2094075233,0.2094075233,0.2094075233,GGA,P-1,A2B_aP6_2_2i_i:Pb-U,6.0,A2B_aP6_2_2i_i:Pb-U +mp-1208815,UPb2,-5.4552706425,0.7836307408000001,0.7836307408000001,0.7836307408000001,GGA,Fd-3m,A2B_cF48_227_e_c:Pb-U,12.0,A2B_tI24_141_h_c:Pb-U +mp-1217632,U8Pb3,-8.8835914014,0.3408832614,0.3408832614,0.3408832614,GGA,Pmn2_1,A3B8_oP22_31_3a_4a2b:Pb-U,22.0,"Invalid WP multiplicities - A3B8_oP22_31_4a_6a6b:Pb-U, expected U9Pb2 to be U8Pb3" +mp-1206611,UPd2Pb,-6.53095614,-0.190000965,0.1708449829,0.1708449829,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-U,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-U +mp-21098,UPb,-7.15909286,0.34293568,0.34293568,0.34293568,GGA,P4/mmm,AB_tP2_123_a_d:Pb-U,2.0,AB_tP2_123_a_d:Pb-U +mp-571407,UPb,-7.16957926,0.33244928,0.33244928,0.33244928,GGA,I4_1/amd,AB_tI8_141_a_b:Pb-U,4.0,AB_tI8_141_a_b:Pb-U +mp-19762,UPb3,-5.44997314,0.157364665,0.157364665,0.157364665,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-U,4.0,A3B_cP4_221_c_a:Pb-U +mp-1214087,Ca3AsI3,-3.8659341261,-1.7093602554,0.0,-0.0168545018,GGA,I4_132,AB3C3_cI56_214_a_g_h:As-Ca-I,28.0,AB3C3_cI56_214_a_g_h:As-Ca-I +mp-28554,Ca2AsI,-4.05167462,-1.5157534912,0.0,-0.0463704115,GGA,R-3m,AB2C_hR12_166_a_c_b:As-Ca-I,4.0,AB2C_hR12_166_a_c_b:As-Ca-I +mp-1183572,CaI,-2.9552083,-1.215725185,0.2304063925,0.2304063925,GGA,P-6m2,AB_hP2_187_a_d:Ca-I,2.0,AB_hP2_187_a_d:Ca-I +mp-30031,CaI2,-3.5789529633,-1.9281754367,0.0,-1.11769198,GGA,P-3m1,AB2_hP3_164_a_d:Ca-I,3.0,AB2_hP3_164_a_d:Ca-I +mp-23218,AsI3,-2.7891832338,-0.51937887,0.0,-0.51937887,GGA,R-3,AB3_hR24_148_c_f:As-I,8.0,AB3_hR24_148_c_f:As-I +mp-1102496,EuH2,-6.366757505,-0.6859395417,0.0,-0.6859395417,GGA,Pnma,AB2_oP12_62_c_2c:Eu-H,12.0,AB2_oP12_62_c_2c:Eu-H +mp-1181447,EuH2,-6.333934145,-0.6531161817000001,0.03282336,-0.6531161817000001,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Eu-H,6.0,AB2_hP6_194_c_ad:Eu-H +mp-1018691,Eu2H3Br,-6.5279497717,-1.1537480942,0.0,-0.0244488608,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Br-Eu-H,6.0,AB2C3_hP6_164_a_d_bd:Br-Eu-H +mp-1184386,Eu3H,-8.1209996463,0.419933215,0.6771605431000001,0.6771605431000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-H,8.0,A3B_hP8_194_h_c:Eu-H +mp-730522,HBr,-2.737862295,-0.2649851075,0.2955263225,-0.2649851075,GGA,Cm,AB_mC4_8_a_a:Br-H,2.0,AB_oF8_69_a_b:Br-H +mp-32684,HBr,-3.010746775,-0.5378695875,0.0226418425,-0.5378695875,GGA,P2_12_12_1,AB_oP8_19_a_a:Br-H,8.0,AB_oP8_19_a_a:Br-H +mp-632229,HBr,-3.0333886175,-0.56051143,0.0,-0.56051143,GGA,Cmc2_1,AB_oC8_36_a_a:Br-H,4.0,AB_oC8_36_a_a:Br-H +mp-23903,HBr,-1.89617199,0.5767051975,1.1372166275,0.5767051975,GGA,Fm-3m,AB_cF8_225_a_b:Br-H,2.0,AB_cF8_225_a_b:Br-H +mp-634105,HBr,-2.722992955,-0.2501157675,0.3103956625,-0.2501157675,GGA,Fmmm,AB_oF8_69_a_b:Br-H,2.0,AB_oF8_69_a_b:Br-H +mp-2352325,HBr,-2.724474945,-0.2515977575,0.3089136725,-0.2515977575,GGA,I4/mmm,AB_tI4_139_a_b:Br-H,2.0,AB_tI4_139_a_b:Br-H +mp-1017531,VPt,-8.12757924,-0.550059545,0.000281535,-0.053026989,GGA,Pmma,AB_oP4_51_e_f:Pt-V,4.0,AB_oP4_51_e_f:Pt-V +mp-2678,VPt,-8.127860775,-0.55034108,0.0,-0.053308524,GGA,P4/mmm,AB_tP2_123_a_d:Pt-V,2.0,AB_tP2_123_a_d:Pt-V +mp-1216236,VPt,-7.87712509,-0.299605395,0.250735685,0.197427161,GGA,R-3m,AB_hR6_166_a_b:Pt-V,2.0,AB_hR6_166_a_b:Pt-V +mp-12108,VPt2,-7.6190350967,-0.5436441933,0.0,-0.0645627883,GGA,Immm,A2B_oI6_71_e_a:Pt-V,3.0,A2B_oI6_71_e_a:Pt-V +mp-2705,VPt3,-7.267778075,-0.4434515675,0.0,-0.0061119671,GGA,I4/mmm,A3B_tI8_139_ad_b:Pt-V,4.0,A3B_tI8_139_ad_b:Pt-V +mp-1216270,VPt3,-7.11261384,-0.2882873325,0.155164235,0.1490522679,GGA,R-3m,A3B_hR12_166_ac_b:Pt-V,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Pt-V, expected VPt5 to be VPt3" +mp-372,VPt3,-7.258842975,-0.4345164675,0.0089351,0.0028231329,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-V,4.0,A3B_cP4_221_c_a:Pt-V +mp-20887,VSn2,-5.755791115,-0.0547745217,0.0,-0.025836705,GGA,Fddd,A2B_oF48_70_ef_e:Sn-V,12.0,A2B_oF48_70_ef_e:Sn-V +mp-961716,VSnPt,-6.6840824167,-0.2958786683,0.1733584717,0.1733584717,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sn-V,3.0,ABC_cF12_216_c_a_b:Pt-Sn-V +mp-1079997,VPt8,-6.6660511267,-0.2601652789,0.0,-0.0630756933,GGA,I4/mmm,A8B_tI18_139_hi_a:Pt-V,9.0,A8B_tI18_139_hi_a:Pt-V +mp-1187826,VSn3,-4.9385185175,0.3396368912,0.3807177825,0.3807177825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sn-V,8.0,A3B_hP8_194_h_c:Sn-V +mp-21342,V3Sn,-7.8804326038,-0.0651100875,0.0,-0.0445696419,GGA,Pm-3n,AB3_cP8_223_a_c:Sn-V,8.0,AB3_cP8_223_a_c:Sn-V +mp-22211,V3Sn,-7.8406402888,-0.0253177725,0.039792315,-0.0047773269,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sn-V,8.0,AB3_hP8_194_c_h:Sn-V +mp-636331,V3Pt,-8.567275645,-0.2365627625,0.1905523375,0.0386077775,GGA,Pm-3m,AB3_cP4_221_a_c:Pt-V,4.0,AB3_cP4_221_a_c:Pt-V +mp-2211,V3Pt,-8.7578279825,-0.4271150999999999,0.0,-0.15194456,GGA,Pm-3n,AB3_cP8_223_a_c:Pt-V,8.0,AB3_cP8_223_a_c:Pt-V +mp-568136,RbVBr3,-4.543947785,-1.5992427585,1.86107e-05,-0.012113267,GGA,P-3c1,A3BC_hP30_165_fg_f_bd:Br-Rb-V,30.0,"Invalid WP multiplicities - A3BC_hP30_165_2f3g_f_b2d:Br-Rb-V, expected Rb3V5Br24 to be RbVBr3" +mp-29314,RbVBr3,-4.5439663957,-1.5992613692000002,0.0,-0.0121318777,GGA,P6_3cm,A3BC_hP30_185_cd_c_ab:Br-Rb-V,30.0,"Invalid WP multiplicities - A3BC_hP30_185_2c3d_c_ab:Br-Rb-V, expected RbVBr8 to be RbVBr3" +mp-570099,RbVBr3,-4.543628569,-1.5989235425,0.0003378267,-0.011794051,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Rb-V,10.0,A3BC_hP10_194_h_c_a:Br-Rb-V +mp-974743,Rb3V,-2.08132775,0.9250493219,0.9250493219,0.9250493219,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-V,4.0,A3B_cF16_225_ac_b:Rb-V +mp-650503,Rb3V2Br9,-4.2027149586,-1.6965242923,0.0,-0.0991754186,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Br-Rb-V,28.0,"Invalid WP multiplicities - A9B3C2_hP28_194_3h4k_bf_f:Br-Rb-V, expected Rb3V2Br33 to be Rb3V2Br9" +mp-971787,VBr2,-5.3281730767,-1.2648521667,0.0,-0.1604509044,GGA,P-3m1,A2B_hP3_164_d_a:Br-V,3.0,A2B_hP3_164_d_a:Br-V +mp-865473,VBr3,-4.678199185,-1.24245142,0.0,-0.293812295,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-V,8.0,A3B_hP8_194_h_c:Br-V +mp-1187734,V3Br,-6.76149459,0.439692045,0.9140116075,0.9140116075,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-V,4.0,AB3_tI8_139_a_bd:Br-V +mp-1246331,MgRhN2,-6.4811769869,-0.0717825444,0.3013511393,0.3013511393,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Rh,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Rh +mp-1187798,Y3Ho,-5.987927895,0.0075276575,0.0075276575,0.0075276575,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Y,8.0,AB3_hP8_194_c_h:Ho-Y +mp-1187849,YHo3,-5.02544394,0.0279804908,0.0279804908,0.0279804908,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Y,4.0,A3B_tI8_139_ad_b:Ho-Y +mp-1187851,YHo3,-5.0417955575,0.0116288733,0.0116288733,0.0116288733,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Y,8.0,A3B_hP8_194_h_c:Ho-Y +mp-980082,YHo3,-5.0229908775,0.0304335533,0.0304335533,0.0304335533,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Y,4.0,A3B_cP4_221_c_a:Ho-Y +mp-1215900,YHo,-5.51296898,0.0114710117,0.0114710117,0.0114710117,GGA,P-6m2,AB_hP2_187_a_d:Ho-Y,2.0,AB_hP2_187_a_d:Ho-Y +mp-1187846,YHoIn2,-4.6053570225,-0.4672951617,0.0,-0.0033178875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Y,4.0,AB2C_cF16_225_a_c_b:Ho-In-Y +mp-1096593,LaYHg2,-1.2793454675,1.7231142696,2.2311337225,2.2311337225,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-La-Y,4.0,A2BC_oI8_71_e_a_b:Hg-La-Y +mp-1185211,LaY3,-6.045494545,0.0383605662,0.0383605662,0.0383605662,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Y,4.0,AB3_tI8_139_a_bd:La-Y +mp-1185037,LaY3,-6.051177515,0.0326775962,0.0326775962,0.0326775962,GGA,Pm-3m,AB3_cP4_221_a_c:La-Y,4.0,AB3_cP4_221_a_c:La-Y +mp-1222752,LaY,-5.6415095783,0.0597295308,0.0597295308,0.0597295308,GGA,R3m,AB_hR18_160_3a_3a:La-Y,6.0,AB_hR18_160_3a_3a:La-Y +mp-1222780,LaY,-5.6653627617,0.0358763475,0.0358763475,0.0358763475,GGA,R3m,AB_hR18_160_3a_3a:La-Y,6.0,AB_hR18_160_3a_3a:La-Y +mp-1222741,LaY,-5.6624029675,0.0388361417,0.0388361417,0.0388361417,GGA,P6_3/mmc,AB_hP4_194_c_a:La-Y,4.0,AB_hP4_194_c_a:La-Y +mp-1206227,Li(YSe2)3,-3.671747404,0.5566331033,2.454627562,2.454627562,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Li-Se-Y,10.0,AB6C3_oC20_65_a_kp_de:Li-Se-Y +mp-1185257,LiY3,-5.1336550675,0.1934289842,0.1934289842,0.1934289842,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Y,4.0,AB3_tI8_139_a_bd:Li-Y +mp-1185240,LiY3,-5.129344045,0.1977400067,0.1977400067,0.1977400067,GGA,Pm-3m,AB3_cP4_221_a_c:Li-Y,4.0,AB3_cP4_221_a_c:Li-Y +mp-1185245,LiY3,-5.1342008275,0.1928832242,0.1928832242,0.1928832242,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Y,4.0,AB3_cF16_225_a_bc:Li-Y +mp-1105821,Y2Se3,-6.86346001,-2.1793246781,0.0,-0.1378923267,GGA,Fddd,A3B2_oF80_70_eh_2f:Se-Y,20.0,A3B2_oF80_70_eh_2f:Se-Y +mp-673656,Y2Se3,-6.8037546185,-2.1196192866,0.0597053915,-0.0781869352,GGA,I-42d,A3B2_tI80_122_3e_cde:Se-Y,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d5e:Se-Y, expected Y9Se16 to be Y2Se3" +mp-32727,Y3Se4,-6.8827651839,-2.1137567196,0.0132934746,0.0132934746,GGA,C2/m,A4B3_mC56_12_4i2j_acefij:Se-Y,28.0,"Invalid WP multiplicities - A4B3_mC56_12_8i7j_ad2ef2i3j:Se-Y, expected Y6Se11 to be Y3Se4" +mp-1222273,LiYSe2,-5.693795085,-1.8519908512,0.0839820575,0.0417620688,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-Se-Y,4.0,AB2C_tP4_123_a_bc_d:Li-Se-Y +mp-37879,LiYSe2,-5.7601757725,-1.9183715387,0.01760137,-0.0246186187,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-Se-Y,8.0,AB2C_tI16_141_a_e_b:Li-Se-Y +mp-15794,LiYSe2,-5.7777771425,-1.9359729087,0.0,-0.0422199887,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-Se-Y,4.0,AB2C_hR12_166_a_c_b:Li-Se-Y +mp-1185289,Li3Y,-2.8652848138,0.1830251146,0.1830251146,0.1830251146,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Y,8.0,A3B_hP8_194_h_c:Li-Y +mp-1232213,YSe2,-6.341359335,-1.8552613121,0.01741418,-0.0391574137,GGA,Immm,A2B_oI12_71_eg_f:Se-Y,6.0,A2B_oI12_71_eg_f:Se-Y +mp-1232214,YSe2,-6.358773515,-1.8726754921,0.0,-0.0565715937,GGA,P4/nmm,A2B_tP6_129_ac_c:Se-Y,6.0,A2B_tP6_129_ac_c:Se-Y +mp-2637,YSe,-6.97755528,-1.9963639845,0.0,-0.1468268549,GGA,Fm-3m,AB_cF8_225_a_b:Se-Y,2.0,AB_cF8_225_a_b:Se-Y +mp-18566,LaSnF7,-6.0718691956,-3.5912101142,0.0,-0.0893948485,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-La-Sn,36.0,A7BC_mP36_14_7e_e_e:F-La-Sn +mp-1207087,LaF2,-6.6938651933,-3.77421018,0.2188486346,0.2188486346,GGA,Fm-3m,A2B_cF12_225_c_a:F-La,3.0,A2B_cF12_225_c_a:F-La +mp-1184996,LaF,-6.07425388,-2.6505108437,0.3442832672,0.3442832672,GGA,P6_3/mmc,AB_hP4_194_c_d:F-La,4.0,AB_hP4_194_c_d:F-La +mp-1101074,LaF3,-7.0398406925,-4.3722296906,0.1199614758,-1.5415720556,GGA,Pmmn,A3B_oP8_59_ae_b:F-La,8.0,A3B_oP8_59_ae_b:F-La +mp-557870,LaF3,-6.9850638556,-4.3174528537,0.1747383127,-1.4867952187,GGA,Cmme,A3B_oC32_67_agin_cf:F-La,16.0,"Invalid WP multiplicities - A3B_oC32_67_2a2g3i3n_cf:F-La, expected LaF8 to be LaF3" +mp-323,LaF3,-6.987754925,-4.3201439231,0.1720472433,-1.4894862881,GGA,I4/mmm,A3B_tI8_139_ad_b:F-La,4.0,"Invalid WP multiplicities - A3B_tI8_139_a2d_b:F-La, expected LaF5 to be LaF3" +mp-905,LaF3,-7.1598021683,-4.4921911665,0.0,-1.6615335315,GGA,P-3c1,A3B_hP24_165_adg_f:F-La,24.0,A3B_hP24_165_adg_f:F-La +mp-334,LaF3,-7.1589295358,-4.491318534,0.0008726325,-1.660660899,GGA,P6_3cm,A3B_hP24_185_ab2c_c:F-La,24.0,A3B_hP24_185_ab2c_c:F-La +mp-17171,LaF3,-7.0154987979,-4.347887796,0.1443033704,-1.517230161,GGA,P6_3/mcm,A3B_hP24_193_bck_g:F-La,24.0,A3B_hP24_193_bck_g:F-La +mp-8354,LaF3,-7.1402223312,-4.4726113294,0.0195798371,-1.6419536944000002,GGA,P6_3/mmc,A3B_hP8_194_bf_c:F-La,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:F-La, expected LaF5 to be LaF3" +mp-13181,LaF3,-6.97838495,-4.3107739481,0.1814172183,-1.4801163131,GGA,Fm-3m,A3B_cF16_225_ac_b:F-La,4.0,A3B_cF16_225_ac_b:F-La +mp-567276,TaV2,-10.11280819,-0.1042782667,0.0,-0.1042782667,GGA,Fd-3m,AB2_cF24_227_a_d:Ta-V,6.0,AB2_cF24_227_a_d:Ta-V +mp-1208384,Ta4V,-9.861915162,1.441088156,1.472371636,1.472371636,GGA,Fd-3m,A4B_cF40_227_e_a:Ta-V,10.0,A4B_cF40_227_e_a:Ta-V +mp-1217812,TaV,-10.38558247,0.08525938,0.16346808,0.16346808,GGA,Cmmm,AB_oC4_65_a_c:Ta-V,2.0,AB_oC4_65_a_c:Ta-V +mp-1216264,VRu3,-9.241415505,-0.0146370825,0.10304859,0.1022127375,GGA,P-6m2,A3B_hP4_187_ah_b:Ru-V,4.0,A3B_hP4_187_ah_b:Ru-V +mp-971788,VRu3,-9.344464095,-0.1176856725,0.0,-0.0008358525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ru-V,8.0,A3B_hP8_194_h_c:Ru-V +mp-1216449,V4Ru,-9.225496438,-0.103491074,0.119981822,0.119981822,GGA,Fmmm,AB4_oF20_69_a_2g:Ru-V,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Ru-V, expected V6Ru to be V4Ru" +mp-1395,VRu,-9.412853945,-0.23369964,0.0,-0.0351862437,GGA,Pm-3m,AB_cP2_221_a_b:Ru-V,2.0,AB_cP2_221_a_b:Ru-V +mp-865382,V3Ru,-9.4108713075,-0.27934112,0.0,-0.1541486183,GGA,Fm-3m,AB3_cF16_225_a_bc:Ru-V,4.0,AB3_cF16_225_a_bc:Ru-V +mp-1216276,VRu4,-8.973718962,0.262584284,0.356732822,0.356732822,GGA,Fmmm,A4B_oF20_69_2g_a:Ru-V,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Ru-V, expected VRu6 to be VRu4" +mp-1096649,TaVRu2,-6.20386037,3.668761825,3.9453775675,3.9453775675,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Ta-V,4.0,A2BC_oI8_71_e_a_b:Ru-Ta-V +mp-977382,Ta2VRu,-10.795918205,-0.2774522375,0.0,-0.0399775442,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Ta-V,4.0,AB2C_cF16_225_a_c_b:Ru-Ta-V +mp-9828,YbPPt,-5.5429604067,-1.2016123711,0.0,-0.3357527871,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Yb,,ABC_hP3_187_a_c_f:P-Pt-Yb +mp-1104272,Lu(Ni2P)2,-6.3301394643,-0.8346962852,0.0,-0.0602822867,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Lu-Ni-P,14.0,AB4C2_tP14_136_a_i_f:Lu-Ni-P +mp-1103289,LuNiP,-6.44689486,-1.2087649578,0.0,-0.0929136778,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Lu-Ni-P,12.0,ABC_hP12_194_ab_f_f:Lu-Ni-P +mp-974057,Lu2Ni12P7,-6.3034430514,-0.7655069206,0.0,-0.0499523404,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Lu-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Lu-Ni-P +mp-1018823,NiPRh,-6.8350262633,-0.6491105778,0.0,-0.0371368868,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ni-P-Rh,6.0,ABC_tP6_129_a_c_c:Ni-P-Rh +mp-1079265,NiPRh,-6.7734016933,-0.5874860078,0.06162457,0.0244876832,GGA,P-62m,ABC_hP9_189_f_bc_g:Ni-P-Rh,9.0,ABC_hP9_189_f_bc_g:Ni-P-Rh +mp-22270,CoP,-6.8444213237,-0.5836111729,0.0,-0.0554644542,GGA,Pnma,AB_oP8_62_c_c:Co-P,8.0,AB_oP8_62_c_c:Co-P +mp-7171,TmP,-6.54764559,-1.603076625,0.0,-1.2024255168,GGA,Fm-3m,AB_cF8_225_a_b:P-Tm,2.0,AB_cF8_225_a_b:P-Tm +mp-1201243,Tm6Co30P19,-7.0835642,-0.8479770361000001,0.0,-0.0009329567,GGA,P-6,A30B19C6_hP55_174_5j5k_a3j3k_jk:Co-P-Tm,55.0,A30B19C6_hP55_174_5j5k_a3j3k_jk:Co-P-Tm +mp-1944,CoP3,-6.33441432,-0.4973579912,0.0,-0.0976387958,GGA,Im-3,AB3_cI32_204_c_g:Co-P,16.0,AB3_cI32_204_c_g:Co-P +mp-1195792,TmCo5P3,-7.1051937956,-0.8543791380000001,0.0,-0.0090807102,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Tm,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Tm +mp-9852,TmP5,-5.7753013808,-0.5182433881,0.0161154869,0.0161154869,GGA,P2_1/m,A5B_mP12_11_e2f_e:P-Tm,12.0,A5B_mP12_11_e2f_e:P-Tm +mp-971958,Tm3P,-5.0226590925,-0.3124568983,0.4890814142,0.4890814142,GGA,Pm-3m,AB3_cP4_221_a_c:P-Tm,4.0,AB3_cP4_221_a_c:P-Tm +mp-1213762,Co3P,-7.0294867644,-0.3449227915,0.0475780913,0.0475780913,GGA,I-4,A3B_tI32_82_3g_g:Co-P,16.0,A3B_tI32_82_3g_g:Co-P +mp-979046,Tm2Co12P7,-7.1044795919,-0.8118794998000001,0.0,-0.0047924515,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Tm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Tm +mp-1204407,TmCo3P2,-7.05530259,-0.9507369531,0.0,-0.0225522305,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Tm,36.0,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Tm +mp-14285,CoP2,-6.51126653,-0.5329589272,0.0,-0.0068498754,GGA,P2_1/c,AB2_mP12_14_e_2e:Co-P,12.0,AB2_mP12_14_e_2e:Co-P +mp-22204,Co2P,-7.0666472092,-0.5233345103,0.0,-0.098848925,GGA,Pnma,A2B_oP12_62_2c_c:Co-P,12.0,A2B_oP12_62_2c_c:Co-P +mp-13446,Co2P,-7.0445329656,-0.5012202667,0.0221142436,-0.0767346814,GGA,P-62m,A2B_hP9_189_fg_ad:Co-P,9.0,A2B_hP9_189_fg_ad:Co-P +mp-1216929,Tm5Co19P12,-7.0814716989,-0.9037815516,0.0,-0.0012235061,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Tm,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Tm +mp-1185057,K3Yb,-1.0630986325,0.1546026478,0.1546026478,0.1546026478,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Yb,,A3B_cF16_225_ac_b:K-Yb +mp-1213171,K3YbSe6,-2.739571541,-0.1549441423,1.1454929567,1.1454929567,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:K-Se-Yb,,A3B6C_oC20_65_de_kp_a:K-Se-Yb +mp-1185082,KYb3,-1.2641360825,0.1681698643,0.1681698643,0.1681698643,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Yb,,AB3_tI8_139_a_bd:K-Yb +mp-1185019,KYb3,-1.258658145,0.1736478018,0.1736478018,0.1736478018,GGA,Fm-3m,AB3_cF16_225_a_bc:K-Yb,,AB3_cF16_225_a_bc:K-Yb +mp-10989,KYbSe2,-3.94843854,-1.5379809944,0.2121237975,0.2121237975,GGA,R-3m,AB2C_hR12_166_a_c_b:K-Se-Yb,,AB2C_hR12_166_a_c_b:K-Se-Yb +mp-13853,P3Ir,-6.9188836312,-0.6492982063,0.0,-0.1074736027,GGA,Im-3,AB3_cI32_204_c_g:Ir-P,16.0,AB3_cI32_204_c_g:Ir-P +mp-10155,P2Ir,-7.2774458692,-0.7224328047,0.0,-0.1203410835,GGA,P2_1/c,AB2_mP12_14_e_2e:Ir-P,12.0,AB2_mP12_14_e_2e:Ir-P +mp-1206529,Rb(PIr)2,-6.534752534,-0.6379510448,0.0,-0.1836716105,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ir-P-Rb,5.0,A2B2C_tI10_139_d_e_a:Ir-P-Rb +mp-2082,PIr2,-8.1099894033,-0.4132657811,0.0,-0.0520493788,GGA,Fm-3m,A2B_cF12_225_c_a:Ir-P,3.0,A2B_cF12_225_c_a:Ir-P +mp-1200302,Y3Co4Ge13,-5.8105829492000005,-0.4139806175,0.0100816876,0.0100816876,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Y,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Y +mp-1078645,YCoGe2,-6.3378328675,-0.6326217129,0.0136617158,0.0136617158,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Y,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Y +mp-1101075,Y3(CoGe2)2,-6.5157853456,-0.7259897511000001,0.0139220167,0.0139220167,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Y,9.0,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Y +mp-4908,Y(CoGe)2,-6.602054468,-0.6162219853,0.0,-0.0926382087,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Y,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Y +mp-1207788,Y5(Co2Ge5)2,-6.2855577716,-0.6541943349,0.0,-0.010204517,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Y,38.0,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Y +mp-1189611,Y2Co3Ge5,-6.324041368,-0.5867378793,0.0,-0.0197101581,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Y,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Y +mp-1206790,Y2CoGe6,-5.7887718289,-0.4799465898,0.0255853872,0.0255853872,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Y,9.0,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Y +mp-1101785,YCoGe,-6.7280648733,-0.6621259522,0.0,-0.043751457,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Y,12.0,ABC_oP12_62_c_c_c:Co-Ge-Y +mp-1215928,YCo4Ge,-6.8300008583,-0.2428725003,0.0884013033,0.0884013033,GGA,Cmmm,A4BC_oC12_65_eh_a_c:Co-Ge-Y,6.0,A4BC_oC12_65_eh_a_c:Co-Ge-Y +mp-1080021,Nb2B3,-8.795448595,-0.7472915165,0.0,-0.003084168,GGA,Cmcm,A3B2_oC20_63_3c_2c:B-Nb,10.0,A3B2_oC20_63_3c_2c:B-Nb +mp-20689,Nb3B2,-9.364133852,-0.6315941197,0.0,-0.015883098,GGA,P4/mbm,A2B3_tP10_127_g_ah:B-Nb,10.0,A2B3_tP10_127_g_ah:B-Nb +mp-10255,Nb3B4,-8.9117152071,-0.7657891781,0.0,-0.0087440614,GGA,Immm,A4B3_oI14_71_ef_af:B-Nb,7.0,A4B3_oI14_71_ef_af:B-Nb +mp-2580,NbB,-9.1599871825,-0.7696387771000001,0.0,-0.0457010969,GGA,Cmcm,AB_oC8_63_c_c:B-Nb,4.0,AB_oC8_63_c_c:B-Nb +mp-1102394,Nb5B6,-9.0007189191,-0.7659120259000001,0.0012770064,0.0012770064,GGA,Cmmm,A6B5_oC22_65_g2h_agh:B-Nb,11.0,A6B5_oC22_65_g2h_agh:B-Nb +mp-1220688,Nb3Re3B4,-9.781983324,-0.3464769482,0.1966645675,0.1966645675,GGA,Amm2,A4B3C3_oC20_38_2ad_bd_be:B-Nb-Re,10.0,A4B3C3_oC20_38_2ad_bd_be:B-Nb-Re +mp-450,NbB2,-8.5138792733,-0.6938497461,0.0,-0.0711068157,GGA,P6/mmm,A2B_hP3_191_c_b:B-Nb,3.0,A2B_hP3_191_c_b:B-Nb +mp-28410,ThP7,-6.041666125,-0.3782941504,0.0391423081,0.0391423081,GGA,P2_12_12_1,A7B_oP32_19_7a_a:P-Th,32.0,A7B_oP32_19_7a_a:P-Th +mp-2662,MnP,-7.903988917499999,-0.6163300181,0.0,-0.1430303264,GGA,Pnma,AB_oP8_62_c_c:Mn-P,8.0,AB_oP8_62_c_c:Mn-P +mp-999516,MnP,-7.7463515925,-0.4586926931,0.157637325,0.0146069986,GGA,P6_3/mmc,AB_hP4_194_a_c:Mn-P,4.0,AB_hP4_194_a_c:Mn-P +mp-1009135,MnP,-7.250910835,0.0367480644,0.6530780825,0.5100477561,GGA,F-43m,AB_cF8_216_a_c:Mn-P,2.0,AB_cF8_216_a_c:Mn-P +mp-754064,MnP2,-7.0956010567,-0.4327276215,0.041872077,0.041872077,GGA,Pnnm,AB2_oP6_58_a_g:Mn-P,6.0,AB2_oP6_58_a_g:Mn-P +mp-931,ThP,-7.96706291,-1.5534825317,0.0,-0.3011731563,GGA,Fm-3m,AB_cF8_225_a_b:P-Th,2.0,AB_cF8_225_a_b:P-Th +mp-1849,Mn2P,-8.4263161256,-0.5138717620000001,0.0,-0.0691571597,GGA,P-62m,A2B_hP9_189_fg_ad:Mn-P,9.0,"Invalid WP multiplicities - A2B_hP9_189_2f2g_a2d:Mn-P, expected Mn12P5 to be Mn2P" +mp-1103645,ThP2,-7.1607393167,-1.0805848956,0.0325789937,0.0325789937,GGA,Pnma,A2B_oP12_62_2c_c:P-Th,12.0,A2B_oP12_62_2c_c:P-Th +mp-487,MnP4,-6.524205721,-0.3611606573,5.47857e-05,-0.1015240843,GGA,P-1,AB4_aP10_2_i_4i:Mn-P,10.0,AB4_aP10_2_i_4i:Mn-P +mp-569522,MnP4,-6.5242605067,-0.3612154429,0.0,-0.10157887,GGA,P-1,AB4_aP30_2_3i_12i:Mn-P,30.0,"Invalid WP multiplicities - AB4_aP30_2_4i_24i:Mn-P, expected MnP6 to be MnP4" +mp-1105127,MnP4,-6.522815819,-0.3597707553,0.0014446877,-0.1001341823,GGA,Cc,AB4_mC40_9_2a_8a:Mn-P,20.0,AB4_mC40_9_2a_8a:Mn-P +mp-769096,MnP4,-6.4713617377,-0.3083166739,0.052898769,-0.048680101,GGA,P2_1/c,AB4_mP30_14_ae_6e:Mn-P,30.0,"Invalid WP multiplicities - AB4_mP30_14_2a2e_21e:Mn-P, expected MnP7 to be MnP4" +mp-755453,MnP4,-6.483968354,-0.3209232903,0.0402921527,-0.0612867173,GGA,C2/c,AB4_mC40_15_ce_4f:Mn-P,20.0,"Invalid WP multiplicities - AB4_mC40_15_2a2e_13f:Mn-P, expected Mn2P13 to be MnP4" +mp-571193,MnP4,-6.523009021,-0.3599639573,0.0012514857,-0.1003273843,GGA,C2/c,AB4_mC80_15_2f_8f:Mn-P,40.0,"Invalid WP multiplicities - AB4_mC80_15_7f_25f:Mn-P, expected Mn7P25 to be MnP4" +mp-29281,Th2P11,-6.2087256291,-0.4876453158,0.0261226331,0.0261226331,GGA,P2_1/c,A11B2_mP156_14_33e_6e:P-Th,156.0,A11B2_mP156_14_33e_6e:P-Th +mp-1192064,Th2Mn12P7,-8.4263811119,-0.6804278952,0.0,-0.017475202,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Th,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Th +mp-1347,Th3P4,-7.7018942543,-1.4312107148,0.0,-0.0803985986,GGA,I-43d,A4B3_cI28_220_c_a:P-Th,14.0,A4B3_cI28_220_c_a:P-Th +mp-19884,Mn3P,-8.58374399,-0.3589068943,0.0264969272,0.0264969272,GGA,I-4,A3B_tI32_82_3g_g:Mn-P,16.0,A3B_tI32_82_3g_g:Mn-P +mp-571352,TmB6,-6.7117277486,-0.3471297417,0.0793173578,0.0793173578,GGA,Pm-3m,A6B_cP7_221_e_b:B-Tm,7.0,A6B_cP7_221_e_b:B-Tm +mp-1104905,TmB12,-6.7614126154,-0.251525179,0.0,-0.029199757,GGA,Fm-3m,A12B_cF52_225_h_b:B-Tm,13.0,A12B_cF52_225_h_b:B-Tm +mp-1228647,B3Ir2,-7.642560324,-0.0995515895,0.0608532262,0.0608532262,GGA,C2/m,A3B2_mC20_12_3i_2i:B-Ir,10.0,A3B2_mC20_12_3i_2i:B-Ir +mp-568143,TmB4,-6.8167265985,-0.5780460972,0.0,-0.1341707409,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Tm,20.0,A4B_tP20_127_egi_h:B-Tm +mp-1183252,BIr,-7.959418995,-0.2005060196,0.0,-0.1175463617,GGA,P-6m2,AB_hP2_187_a_d:B-Ir,2.0,AB_hP2_187_a_d:B-Ir +mp-800,TmB2,-6.5971277033,-0.6522547150000001,0.0,-0.170549634,GGA,P6/mmm,A2B_hP3_191_c_b:B-Tm,3.0,A2B_hP3_191_c_b:B-Tm +mp-1178924,Tm(BIr)4,-7.9052831617,-0.5111565809,0.0,-8.44205e-05,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Ir-Tm,18.0,A4B4C_tP18_137_g_g_a:B-Ir-Tm +mp-1077393,TmB2Ir3,-8.08761779,-0.6959642058000001,0.0,-0.1007344908,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Tm,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Tm +mp-1023515,Mg15B,-1.7356156225,0.1821089101,0.1943297191,0.1943297191,GGA,P-6m2,AB15_hP16_187_a_bhjkn:B-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:B-Mg, expected Mg27B to be Mg15B" +mp-7229,B5Mo2,-7.8043242186,0.0654270777,0.4354736101,0.4354736101,GGA,R-3m,A5B2_hR21_166_a2c_c:B-Mo,7.0,A5B2_hR21_166_a2c_c:B-Mo +mp-1104594,B5Mo2,-7.4423482979,0.4274029985,0.7974495308,0.7974495308,GGA,P6_3/mmc,A5B2_hP14_194_fg_e:B-Mo,14.0,A5B2_hP14_194_fg_e:B-Mo +mp-1228687,B4Mo,-7.5137116007,-0.001068162,0.2579644107,0.2579644107,GGA,P6/mmm,A4B_hP15_191_n_ad:B-Mo,15.0,"Invalid WP multiplicities - A4B_hP15_191_n_a2d:B-Mo, expected B12Mo5 to be B4Mo" +mp-1106346,B4Mo,-7.239379,0.2732644387,0.5322970113000001,0.5322970113000001,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-Mo,20.0,A4B_hP20_194_fi_bc:B-Mo +mp-978275,MgB7,-6.1750733391,-0.1305705333,0.0,-0.0437998063,GGA,Imma,A7B_oI64_74_3i2j_ae:B-Mg,32.0,"Invalid WP multiplicities - A7B_oI64_74_12i7j_ae:B-Mg, expected MgB26 to be MgB7" +mp-1016262,Mg7B,-1.877694645,0.3574743701,0.3819159881,0.3819159881,GGA,P-6m2,AB7_hP8_187_a_djk:B-Mg,8.0,AB7_hP8_187_a_djk:B-Mg +mp-2331,B2Mo,-8.499865505,-0.4317209544,0.0,-0.0540386658,GGA,R-3m,A2B_hR18_166_2c_c:B-Mo,6.0,A2B_hR18_166_2c_c:B-Mo +mp-960,B2Mo,-8.3437605733,-0.2756160228,0.1561049317,0.1020662658,GGA,P6/mmm,A2B_hP3_191_c_b:B-Mo,3.0,A2B_hP3_191_c_b:B-Mo +mp-999198,BMo,-9.2548182975,-0.4922973571,0.0099374625,-0.0989555856,GGA,Cmcm,AB_oC8_63_c_c:B-Mo,4.0,AB_oC8_63_c_c:B-Mo +mp-1890,BMo,-9.26475576,-0.5022348196,0.0,-0.1088930481,GGA,I4_1/amd,AB_tI16_141_e_e:B-Mo,8.0,AB_tI16_141_e_e:B-Mo +mp-1079053,B2Mo3,-9.549461036,-0.3703142617,0.031473594,0.031473594,GGA,P4/mbm,A2B3_tP10_127_g_ah:B-Mo,10.0,A2B3_tP10_127_g_ah:B-Mo +mp-1080111,B3Mo,-8.0363623788,-0.3154060231,0.0083846927,0.0083846927,GGA,R-3m,A3B_hR24_166_f_c:B-Mo,8.0,A3B_hR24_166_f_c:B-Mo +mp-763,MgB2,-5.1167098267,-0.1303552961,0.0,-0.0146609933,GGA,P6/mmm,A2B_hP3_191_c_b:B-Mg,3.0,A2B_hP3_191_c_b:B-Mg +mp-1222002,MgB3,-5.071687005,0.3379268356,0.4735807987,0.4735807987,GGA,P4/mmm,A3B_tP8_123_gl_h:B-Mg,8.0,A3B_tP8_123_gl_h:B-Mg +mp-1228730,B24Mo7,-7.7605487077,-0.1403889248,0.1520672056,0.1520672056,GGA,P-6m2,A24B7_hP31_187_2o_abchi:B-Mo,31.0,"Invalid WP multiplicities - A24B7_hP31_187_20o_abchi:B-Mo, expected B240Mo7 to be B24Mo7" +mp-1026484,Mg14BMo,-2.2198336788,0.2757264826,0.3466446175,0.3466446175,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Mo, expected Mg18BMo to be Mg14BMo" +mp-1026474,Mg14BMo,-2.2400001787,0.2555599826,0.3264781175,0.3264781175,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Mo, expected Mg26BMo to be Mg14BMo" +mp-365,MgB4,-5.80240259,-0.1388331633,0.0,-0.0083401154,GGA,Pnma,A4B_oP20_62_2cd_c:B-Mg,20.0,A4B_oP20_62_2cd_c:B-Mg +mp-2501,BMo2,-9.7733962633,-0.3164989331,0.01832428,0.01832428,GGA,I4/mcm,AB2_tI12_140_a_h:B-Mo,6.0,AB2_tI12_140_a_h:B-Mo +mp-1016250,Mg3B,-2.2629449175,0.6071130627,0.6559962987,0.6559962987,GGA,Pmm2,AB3_oP4_25_a_bcd:B-Mg,4.0,AB3_oP4_25_a_bcd:B-Mg +mp-1016648,Mg6BMo,-2.9896514494,0.4011888232,0.5337236274,0.5337236274,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Mo, expected Mg12BMo to be Mg6BMo" +mp-1016669,Mg6BMo,-2.8867950125,0.5040452601000001,0.6365800643,0.6365800643,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Mo, expected Mg12BMo to be Mg6BMo" +mp-1095849,LaYZn2,-1.41433869,2.0661526696,2.4074493875,2.4074493875,GGA,Immm,ABC2_oI8_71_a_b_e:La-Y-Zn,4.0,ABC2_oI8_71_a_b_e:La-Y-Zn +mp-1185101,LaYZn2,-3.8053392525,-0.3248478929,0.016448825,0.016448825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Y-Zn,4.0,ABC2_cF16_225_a_b_c:La-Y-Zn +mp-3686,YbBRh3,-6.673009264,-0.6106245318,0.0,-0.0083568045,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Yb,,AB3C_cP5_221_b_c_a:B-Rh-Yb +mp-1106065,B3Rh7,-7.394231935,-0.2353988947,0.0054004587,0.0054004587,GGA,P6_3mc,A3B7_hP20_186_c_b2c:B-Rh,20.0,A3B7_hP20_186_c_b2c:B-Rh +mp-1025051,YbB2Rh3,-6.8740877717,-0.7088685331,0.0,-0.1258398601,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Rh-Yb,,A2B3C_hP6_191_c_g_a:B-Rh-Yb +mp-1207638,Yb2B6Rh,-6.0704037578,-0.4570843072,0.0563399597,0.0563399597,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Rh-Yb,,A6BC2_oP36_55_6h_g_2g:B-Rh-Yb +mp-13344,YbB4Rh,-6.4367689337,-0.4998550615,0.0458216182,0.0458216182,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Rh-Yb,,A4BC_oP24_55_4h_g_g:B-Rh-Yb +mp-1215951,Yb2(B2Rh3)3,-7.0201192624,-0.5828052615,0.0120036456,0.0120036456,GGA,P6/mmm,A6B9C2_hP17_191_ch_gi_e:B-Rh-Yb,,A6B9C2_hP17_191_ch_gi_e:B-Rh-Yb +mp-21502,BRh2,-7.329090385,-0.1930878814,0.0744669558,0.0744669558,GGA,Pnma,AB2_oP12_62_c_2c:B-Rh,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_4c:B-Rh, expected BRh4 to be BRh2" +mp-567926,B4Rh5,-7.4166404978,-0.356739783,0.0,-0.0183783894,GGA,P6_3/mmc,A4B5_hP18_194_2f_cef:B-Rh,18.0,"Invalid WP multiplicities - A4B5_hP18_194_3f_2c2e2f:B-Rh, expected B3Rh5 to be B4Rh5" +mp-567164,BRh,-7.399812175,-0.3779623546,0.0,-0.0568965499,GGA,P6_3/mmc,AB_hP4_194_a_c:B-Rh,4.0,AB_hP4_194_a_c:B-Rh +mp-1063752,BRh,-7.1862619,-0.1644120796,0.213550275,0.1566537251,GGA,P6_3/mmc,AB_hP4_194_c_a:B-Rh,4.0,AB_hP4_194_c_a:B-Rh +mp-1197168,Yb(BRh)4,-6.9759248937,-0.5632130222,0.0129957355,0.0129957355,GGA,Ccce,A4B4C_oC108_68_3i_3i_ae:B-Rh-Yb,,A4B4C_oC108_68_3i_3i_ae:B-Rh-Yb +mp-1228811,B11Rh18,-7.3921887979,-0.2876766897,0.016782263,0.016782263,GGA,P1,A11B18_aP29_1_11a_18a:B-Rh,29.0,A11B18_aP29_1_11a_18a:B-Rh +mp-631557,Sn2BSe,-3.8218516075,0.7267601321,1.0610351658,1.0610351658,GGA,Fm-3m,ABC2_cF16_225_a_b_c:B-Se-Sn,4.0,ABC2_cF16_225_a_b_c:B-Se-Sn +mp-1214789,BSe2,-5.0054871637,-0.4484155884,0.0,-0.4484155884,GGA,P2_1/c,AB2_mP24_14_2e_4e:B-Se,24.0,AB2_mP24_14_2e_4e:B-Se +mp-1094049,SnB6,-6.1240616271,0.1739272986,0.1739272986,0.1739272986,GGA,Pm-3m,A6B_cP7_221_e_b:B-Sn,7.0,A6B_cP7_221_e_b:B-Sn +mp-978886,SnB,-4.5733111325,0.7711706804,0.7711706804,0.7711706804,GGA,P6_3mc,AB_hP4_186_b_b:B-Sn,4.0,AB_hP4_186_b_b:B-Sn +mp-1187032,Sn3B,-3.75594594,0.921080894,0.921080894,0.921080894,GGA,I4/mmm,AB3_tI8_139_a_bd:B-Sn,4.0,AB3_tI8_139_a_bd:B-Sn +mp-978855,Sn3B,-3.745982985,0.931043849,0.931043849,0.931043849,GGA,Pm-3m,AB3_cP4_221_a_c:B-Sn,4.0,AB3_cP4_221_a_c:B-Sn +mp-978917,Sn3B,-3.740332165,0.936694669,0.936694669,0.936694669,GGA,Fm-3m,AB3_cF16_225_a_bc:B-Sn,4.0,AB3_cF16_225_a_bc:B-Sn +mp-2071,Zn3P2,-3.1094812545,-0.1883140858,0.0,-0.0392247453,GGA,P4_2/nmc,A2B3_tP40_137_cdf_3g:P-Zn,40.0,A2B3_tP40_137_cdf_3g:P-Zn +mp-1197170,Zn3P2,-3.0876833622,-0.1665161936,0.0217978922,-0.017426853,GGA,Ia-3,A2B3_cI80_206_ad_e:P-Zn,40.0,A2B3_cI80_206_ad_e:P-Zn +mp-7846,Zn3P2,-2.926541533,-0.0053743643,0.1829397215,0.1437149762,GGA,Pn-3m,A2B3_cP10_224_b_d:P-Zn,10.0,A2B3_cP10_224_b_d:P-Zn +mp-14587,ZnP4,-4.668254507,-0.0856637797,0.0634255609,0.0634255609,GGA,P4_12_12,A4B_tP20_92_2b_a:P-Zn,20.0,"Invalid WP multiplicities - A4B_tP20_92_3b_a:P-Zn, expected ZnP6 to be ZnP4" +mp-1212366,Ho(ZnP)3,-4.1186171379,-0.6041103921000001,0.0,-0.0093826889,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:Ho-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:Ho-P-Zn +mp-971863,ZnP,-3.2295920175,0.1069310408,0.3178081823,0.3178081823,GGA,P6_3mc,AB_hP4_186_b_b:P-Zn,4.0,AB_hP4_186_b_b:P-Zn +mp-977145,Ho3P,-5.114052685,-0.3239204058,0.4814604675,0.4814604675,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-P,4.0,A3B_tI8_139_ad_b:Ho-P +mp-680550,ZnP2,-4.0874594879,-0.0586766135,0.1898056208,0.0763082493,GGA,P2_1/c,A2B_mP24_14_4e_2e:P-Zn,24.0,"Invalid WP multiplicities - A2B_mP24_14_14e_4e:P-Zn, expected Zn2P7 to be ZnP2" +mp-1392,ZnP2,-4.2732092417,-0.2444263672,0.0040558671,-0.1094415044,GGA,P2_1/c,A2B_mP24_14_4e_2e:P-Zn,24.0,A2B_mP24_14_4e_2e:P-Zn +mp-2782,ZnP2,-4.2772603221,-0.2484774476,4.7867e-06,-0.1134925849,GGA,P4_12_12,A2B_tP24_92_2b_b:P-Zn,24.0,A2B_tP24_92_2b_b:P-Zn +mp-11025,ZnP2,-4.2772651088,-0.2484822343,0.0,-0.1134973715,GGA,P4_32_12,A2B_tP24_96_2b_b:P-Zn,24.0,A2B_tP24_96_2b_b:P-Zn +mp-1001843,HoP,-6.061251015,-1.0633953267,0.54736642,-0.6516340761,GGA,Pm-3m,AB_cP2_221_a_b:Ho-P,2.0,AB_cP2_221_a_b:Ho-P +mp-744,HoP,-6.608617435,-1.6107617467000002,0.0,-1.1990004961,GGA,Fm-3m,AB_cF8_225_a_b:Ho-P,2.0,AB_cF8_225_a_b:Ho-P +mp-1207457,Zn2P,-2.4079943667,0.2362688756,0.3931972804,0.3931972804,GGA,Pn-3m,AB2_cP6_224_a_b:P-Zn,6.0,AB2_cP6_224_a_b:P-Zn +mp-9851,HoP5,-5.8037026108,-0.5288823769000001,0.0080382053,0.0080382053,GGA,P2_1/m,AB5_mP12_11_e_e2f:Ho-P,12.0,AB5_mP12_11_e_e2f:Ho-P +mp-1207476,Zn7P10,-3.8670108138,-0.1639972646,0.0667884554,0.0667884554,GGA,Fdd2,A10B7_oF136_43_5b_a3b:P-Zn,34.0,A10B7_oF136_43_5b_a3b:P-Zn +mp-1187918,Zn3P,-2.1182038325,0.1799295017,0.2976258053,0.2976258053,GGA,Pm-3m,AB3_cP4_221_a_c:P-Zn,4.0,AB3_cP4_221_a_c:P-Zn +mp-1191287,V6Si5,-7.8457121845,-0.4248006782,0.0992239302,0.0992239302,GGA,Immm,A5B6_oI44_71_efgm_ehkm:Si-V,22.0,A5B6_oI44_71_efgm_ehkm:Si-V +mp-976,V6Si5,-7.9307903118,-0.5098788055,0.0141458029,0.0141458029,GGA,Ibam,A5B6_oI44_72_a2j_f2j:Si-V,22.0,A5B6_oI44_72_a2j_f2j:Si-V +mp-1095672,Ta2V3Si,-9.7237803658,-0.3250151158,0.0,-0.0003279134,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Si-Ta-V,12.0,AB2C3_hP12_194_a_f_h:Si-Ta-V +mp-1217836,TaVSi4,-7.5188098533,-0.41165055,0.0217487317,0.0217487317,GGA,P2,A4BC_mP18_3_6e_2ac_2bc:Si-Ta-V,18.0,"Invalid WP multiplicities - A4BC_mP18_3_12e_a2c_a2b:Si-Ta-V, expected TaVSi8 to be TaVSi4" +mp-1218038,Ta3V7Si6,-8.78101398,-0.5489775075000001,0.0181085813,0.0181085813,GGA,P-62m,A6B3C7_hP16_189_fg_f_gh:Si-Ta-V,16.0,A6B3C7_hP16_189_fg_f_gh:Si-Ta-V +mp-2567,V3Si,-8.6144666512,-0.4452075912,0.0,-0.0740318708,GGA,Pm-3n,AB3_cP8_223_a_c:Si-V,8.0,AB3_cP8_223_a_c:Si-V +mp-571211,V3Si,-7.49641817,0.67284089,1.1180484813,1.0440166104,GGA,Im-3m,AB3_cI8_229_a_b:Si-V,4.0,AB3_cI8_229_a_b:Si-V +mp-10711,VSi2,-7.0815680589,-0.4367206822,0.0,-0.1251280789,GGA,P6_222,A2B_hP9_180_i_c:Si-V,9.0,A2B_hP9_180_i_c:Si-V +mp-11190,VSi2,-7.0815648967,-0.43671752,3.1622e-06,-0.1251249167,GGA,P6_422,A2B_hP9_181_i_c:Si-V,9.0,A2B_hP9_181_i_c:Si-V +mp-568671,V5Si3,-8.2686991356,-0.5567635806,0.0,-0.0720346918,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Si-V,16.0,"Invalid WP multiplicities - A3B5_tI32_140_2a3h_2b3k:Si-V, expected V7Si4 to be V5Si3" +mp-1188102,V5Si3,-8.2350236988,-0.5230881438,0.0336754369,-0.0383592549,GGA,I4/mcm,A3B5_tI32_140_ah_cl:Si-V,16.0,A3B5_tI32_140_ah_cl:Si-V +mp-570483,V5Si3,-8.2157299888,-0.5037944338,0.0529691469,-0.0190655449,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-V,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_4d4g:Si-V, expected V20Si3 to be V5Si3" +mp-17806,Ta2V4Si5,-8.279601035,-0.354349245,0.1796850682,0.1796850682,GGA,Ibam,A5B2C4_oI44_72_a2j_f_2j:Si-Ta-V,22.0,"Invalid WP multiplicities - A5B2C4_oI44_72_a4j_f_5j:Si-Ta-V, expected Ta2V10Si9 to be Ta2V4Si5" +mp-1078858,U3Si,-10.046340975,-0.22145396,0.0046022975,-0.1137916275,GGA,I4/mmm,AB3_tI16_139_d_eh:Si-U,8.0,AB3_tI16_139_d_eh:Si-U +mp-956,U3Si,-10.0509432725,-0.2260562575,0.0,-0.118393925,GGA,I4/mcm,AB3_tI16_140_a_bh:Si-U,8.0,AB3_tI16_140_a_bh:Si-U +mp-570637,U3Si,-10.0324452325,-0.2075582175,0.01849804,-0.099895885,GGA,Pm-3m,AB3_cP4_221_a_c:Si-U,4.0,AB3_cP4_221_a_c:Si-U +mp-2800,USi3,-7.2148280225,-0.3229869975,0.0,-0.11077127,GGA,Pm-3m,A3B_cP4_221_c_a:Si-U,4.0,A3B_cP4_221_c_a:Si-U +mp-19715,USi,-8.5324331625,-0.1740691425,0.100452485,0.100452485,GGA,Pnma,AB_oP8_62_c_c:Si-U,8.0,AB_oP8_62_c_c:Si-U +mp-21346,U3Si2,-9.048931041,-0.103957823,0.1511776565,0.1511776565,GGA,P4/mbm,A2B3_tP10_127_g_ah:Si-U,10.0,A2B3_tP10_127_g_ah:Si-U +mp-1025140,USiSe,-7.6362668067,-0.8987203008,0.0556798528,0.0556798528,GGA,I4/mmm,ABC_tI12_139_e_c_e:Se-Si-U,6.0,ABC_tI12_139_e_c_e:Se-Si-U +mp-7284,USi2,-7.6454289433,-0.26474692,0.0420849542,0.0420849542,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-U,6.0,A2B_tI12_141_e_a:Si-U +mp-980,USi2,-7.6636363267,-0.2829543033,0.0238775708,0.0238775708,GGA,P6/mmm,A2B_hP3_191_c_b:Si-U,3.0,A2B_hP3_191_c_b:Si-U +mp-35876,Ca(NdS2)2,-6.3725580721,-2.3600303275,0.0121826511,0.0121826511,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Nd-S +mp-556597,In3S4,-4.3093920229,-0.7664133575000001,0.0421361116,0.0421361116,GGA,Fd-3m,A3B4_cF56_227_ad_e:In-S,14.0,"Invalid WP multiplicities - A3B4_cF56_227_2a2d_e:In-S, expected In3S2 to be In3S4" +mp-22846,In5S4,-3.9480367725,-0.5809014261000001,0.0794500475,0.0794500475,GGA,Pa-3,A5B4_cP72_205_2cd_cd:In-S,72.0,A5B4_cP72_205_2cd_cd:In-S +mp-1147625,InS2,-4.08126322,-0.4064020654,0.2892738459,0.2892738459,GGA,P4/nmm,AB2_tP6_129_c_ac:In-S,6.0,AB2_tP6_129_c_ac:In-S +mp-1147607,InS2,-4.0332973417,-0.3584361871,0.3372397243,0.3372397243,GGA,P4_2/mnm,AB2_tP6_136_a_f:In-S,6.0,AB2_tP6_136_a_f:In-S +mp-1147622,InS2,-3.5018808267,0.1729803279,0.8686562393,0.8686562393,GGA,Fd-3m,AB2_cF24_227_a_d:In-S,6.0,AB2_cF24_227_a_d:In-S +mp-684944,In2S3,-4.257289597,-0.6747461849,0.1600649087,0.1358833231,GGA,Cm,A2B3_mC40_8_6ab_6a3b:In-S,20.0,"Invalid WP multiplicities - A2B3_mC40_8_6a2b_6a5b:In-S, expected In5S8 to be In2S3" +mp-673633,In2S3,-4.400154546,-0.8176111339000001,0.0171999597,-0.0069816259,GGA,Cc,A2B3_mC20_9_2a_3a:In-S,10.0,"Invalid WP multiplicities - A2B3_mC20_9_2a_5a:In-S, expected In2S5 to be In2S3" +mp-1223831,In2S3,-4.397306822,-0.8147634099000001,0.0200476837,-0.0041339019,GGA,Imm2,A2B3_oI10_44_c_ac:In-S,5.0,A2B3_oI10_44_c_ac:In-S +mp-22216,In2S3,-4.4173545057,-0.8348110936,0.0,-0.0241815856,GGA,I4_1/amd,A2B3_tI80_141_ceh_3h:In-S,40.0,A2B3_tI80_141_ceh_3h:In-S +mp-22375,In2S3,-4.394663788,-0.8121203759000001,0.0226907177,-0.0014908679,GGA,R-3c,A2B3_hR30_167_c_e:In-S,10.0,A2B3_hR30_167_c_e:In-S +mp-1184892,In3S,-3.2474136575,-0.1495383933,0.2219093106,0.2219093106,GGA,Pm-3m,A3B_cP4_221_c_a:In-S,4.0,A3B_cP4_221_c_a:In-S +mp-1224137,In5S8,-4.3437991062,-0.7399515996,0.062751375,0.062751375,GGA,F-43m,A5B8_cF52_216_ae_2e:In-S,13.0,A5B8_cF52_216_ae_2e:In-S +mp-555853,In6S7,-4.2671049265,-0.7697778921,0.0084697026,0.0084697026,GGA,P2_1/m,A6B7_mP26_11_6e_7e:In-S,26.0,"Invalid WP multiplicities - A6B7_mP26_11_12e_12e:In-S, expected InS to be In6S7" +mp-1197008,Ho4In5S13,-5.3747900018,-1.4719762564,0.0524498321,0.0524498321,GGA,Pbam,A4B5C13_oP44_55_2g_a2h_c2g4h:Ho-In-S,44.0,A4B5C13_oP44_55_2g_a2h_c2g4h:Ho-In-S +mp-630528,InS,-4.1591244787,-0.7150576803,0.0278377275,-0.0002639234,GGA,P2_1/c,AB_mP8_14_e_e:In-S,8.0,AB_mP8_14_e_e:In-S +mp-19795,InS,-4.1869622062,-0.7428954078000001,0.0,-0.0281016509,GGA,Pnnm,AB_oP8_58_g_g:In-S,8.0,AB_oP8_58_g_g:In-S +mp-1224223,In11S16,-4.3979270507,-0.8256411656,0.0023613587,0.0023613587,GGA,P-4m2,A11B16_tP27_115_agjk_2j2k:In-S,27.0,"Invalid WP multiplicities - A11B16_tP27_115_ag4j4k_8j7k:In-S, expected In7S12 to be In11S16" +mp-1552,Mo2C,-10.4192042333,-0.1125489958,0.0,-0.0572714999999999,GGA,Pbcn,AB2_oP12_60_c_d:C-Mo,12.0,AB2_oP12_60_c_d:C-Mo +mp-1221498,Mo2C,-10.3527945333,-0.0461392958,0.0664097,0.0091381999999999,GGA,P-3m1,AB2_hP3_164_a_d:C-Mo,3.0,AB2_hP3_164_a_d:C-Mo +mp-571589,Mo2C,-9.7612020167,0.5454532208,0.6580022167,0.6007307167,GGA,P-6m2,AB2_hP3_187_a_h:C-Mo,3.0,AB2_hP3_187_a_h:C-Mo +mp-1221480,Mo2Rh2C,-9.19869855,-0.0689822595,0.1013906655,0.1013906655,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Mo-Rh,5.0,AB2C2_hR15_166_a_c_c:C-Mo-Rh +mp-1009696,RhC,-7.735827535,0.5606591462,0.5606591462,0.5606591462,GGA,F-43m,AB_cF8_216_a_c:C-Rh,2.0,AB_cF8_216_a_c:C-Rh +mp-1009652,RhC,-7.194776385,1.1017102963,1.1017102963,1.1017102963,GGA,Fm-3m,AB_cF8_225_a_b:C-Rh,2.0,AB_cF8_225_a_b:C-Rh +mp-2305,MoC,-10.120074045,-0.0829162438,0.0014955031,0.0014955031,GGA,P-6m2,AB_hP2_187_a_d:C-Mo,2.0,AB_hP2_187_a_d:C-Mo +mp-15798,MoC,-9.8665570242,0.1706007771,0.255012524,0.255012524,GGA,P6_3/mmc,AB_hP12_194_af_bf:C-Mo,12.0,AB_hP12_194_af_bf:C-Mo +mp-567925,MoC,-9.9068817525,0.1302760487,0.2146877956,0.2146877956,GGA,P6_3/mmc,AB_hP8_194_ac_f:C-Mo,8.0,AB_hP8_194_ac_f:C-Mo +mp-1009218,MoC,-9.53684553,0.5003122712,0.5847240181000001,0.5847240181000001,GGA,F-43m,AB_cF8_216_a_c:C-Mo,2.0,AB_cF8_216_a_c:C-Mo +mp-2746,MoC,-9.823171295,0.2139865063,0.2983982531,0.2983982531,GGA,Fm-3m,AB_cF8_225_a_b:C-Mo,2.0,AB_cF8_225_a_b:C-Mo +mp-1221473,Mo3C2,-10.166687112,0.032169151,0.1334632472,0.1334632472,GGA,P-3m1,A2B3_hP5_164_d_ad:C-Mo,5.0,A2B3_hP5_164_d_ad:C-Mo +mp-1221489,Mo3C2,-10.137408322,0.061447941,0.1627420372,0.1627420372,GGA,P-3m1,A2B3_hP10_164_abd_c2d:C-Mo,10.0,A2B3_hP10_164_abd_c2d:C-Mo +mp-1221488,Mo4C3,-10.0552605957,0.0973961068,0.1938666746,0.1938666746,GGA,R-3m,A3B4_hR21_166_ac_2c:C-Mo,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:C-Mo, expected Mo4C5 to be Mo4C3" +mp-1217599,TbC2,-7.8063625833,-0.1091302217,0.1220899327,0.1220899327,GGA,Immm,A2B_oI6_71_f_a:C-Tb,3.0,A2B_oI6_71_f_a:C-Tb +mp-2119,TbC2,-7.88468197,-0.1874496083,0.043770546,0.043770546,GGA,I4/mmm,A2B_tI6_139_e_a:C-Tb,3.0,A2B_tI6_139_e_a:C-Tb +mp-972049,Tb(AlC)3,-6.4987580907,-0.2763166525,0.0,-0.0274433996,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Tb,14.0,"Invalid WP multiplicities - A3B3C_hP14_194_2c3f_2d3f_a:Al-C-Tb, expected Tb(AlC)8 to be Tb(AlC)3" +mp-7024,Tb2C3,-7.646322869,-0.2553771335,0.0220870517,0.0220870517,GGA,I-43d,A3B2_cI40_220_d_c:C-Tb,20.0,A3B2_cI40_220_d_c:C-Tb +mp-632442,Al4C3,-5.7797428843,0.3157285154,0.4070028214,0.3157285154,GGA,P1,A4B3_aP7_1_4a_3a:Al-C,7.0,A4B3_aP7_1_4a_3a:Al-C +mp-743752,Al4C3,-5.6014236571,0.4940477425,0.5853220486,0.4940477425,GGA,P1,A4B3_aP7_1_4a_3a:Al-C,7.0,A4B3_aP7_1_4a_3a:Al-C +mp-1591,Al4C3,-6.1867457057,-0.0912743061,0.0,-0.0912743061,GGA,R-3m,A4B3_hR21_166_2c_ac:Al-C,7.0,A4B3_hR21_166_2c_ac:Al-C +mp-10041,Tb3AlC,-3.945755512,1.4297124125,1.786531184,1.7484359765000002,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-C-Tb,5.0,ABC3_cP5_221_b_a_c:Al-C-Tb +mp-570822,Tb3AlC,-5.732286696,-0.3568187715,0.0,-0.0380952075,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Tb,5.0,ABC3_cP5_221_a_b_c:Al-C-Tb +mp-1065540,AlC3,-5.148480105,2.7094129719,2.7493454808,2.7493454808,GGA,Pm-3m,AB3_cP4_221_a_c:Al-C,4.0,AB3_cP4_221_a_c:Al-C +mp-1214819,AlC6,-6.46535662,1.9800103493,2.0028289258,2.0028289258,GGA,Pm-3m,AB6_cP7_221_a_e:Al-C,7.0,AB6_cP7_221_a_e:Al-C +mp-15237,Tb4C5,-7.4950481906,-0.3082935392,0.0,-0.0531869564,GGA,Pbam,A5B4_oP18_55_a2h_gh:C-Tb,18.0,A5B4_oP18_55_a2h_gh:C-Tb +mp-1120783,AlC,-5.9474934363,0.5396272249,0.6194922427,0.6194922427,GGA,P2,AB_mP60_3_3a3b12e_ad14e:Al-C,60.0,"Invalid WP multiplicities - AB_mP60_3_3a3d16e_ab25e:Al-C, expected Al19C26 to be AlC" +mp-692,Tb2C,-6.41955306,-0.2537538292,0.0,-0.0687777057,GGA,R-3m,AB2_hR9_166_a_c:C-Tb,3.0,AB2_hR9_166_a_c:C-Tb +mp-1105223,ZrF4,-7.2412186625,-4.0024953625,0.0,-4.0024953625,GGA,P2_1/c,A4B_mP20_14_4e_e:F-Zr,20.0,A4B_mP20_14_4e_e:F-Zr +mp-1194272,ZrF4,-7.2348357523,-3.9961124523,0.0063829102,-3.9961124523,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Zr,30.0,A4B_mC60_15_ce5f_ef:F-Zr +mp-561384,ZrF4,-7.2403202318,-4.0015969318,0.0008984308,-4.0015969318,GGA,P4_2/m,A4B_tP40_84_i3j2k_k:F-Zr,40.0,"Invalid WP multiplicities - A4B_tP40_84_4i12j15k_k:F-Zr, expected ZrF23 to be ZrF4" +mp-34260,ZrF4,-7.107792814,-3.869069514,0.1334258485,-3.869069514,GGA,P4/mmm,A4B_tP5_123_eg_b:F-Zr,5.0,"Invalid WP multiplicities - A4B_tP5_123_e2g_b:F-Zr, expected ZrF6 to be ZrF4" +mp-1210678,LuZrF7,-7.1727847006,-4.2340064869,0.0,-0.0144709899,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Lu-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Lu-Zr +mp-531792,LuZr3F15,-7.2177069193,-4.1210628708,0.0,-0.0089043441,GGA,P-1,A15BC3_aP76_2_30i_2i_6i:F-Lu-Zr,76.0,"Invalid WP multiplicities - A15BC3_aP76_2_59i_3i_11i:F-Lu-Zr, expected Lu3Zr11F59 to be LuZr3F15" +mp-1222422,LuZr3F15,-7.2165979042,-4.1199538557,0.0011090151,-0.0077953289,GGA,C2/c,A15BC3_mC76_15_e7f_e_ef:F-Lu-Zr,38.0,"Invalid WP multiplicities - A15BC3_mC76_15_2e19f_e_ef:F-Lu-Zr, expected LuZr3F40 to be LuZr3F15" +mp-1205366,LuRhO3,-7.9580224565,-2.6129575517,0.0,-0.0016253756,GGA,Pnma,AB3C_oP20_62_c_cd_a:Lu-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Lu-O-Rh +mp-973681,LuRhO3,-7.234465068,-1.8894001632,0.7235573885000001,0.7219320129,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Lu-O-Rh,5.0,AB3C_cP5_221_a_c_b:Lu-O-Rh +mp-1179706,Rh2O3,-6.443846381,-0.5301100062,0.5677126255,0.5677126255,GGA,C2/c,A3B2_mC20_15_ef_f:O-Rh,10.0,"Invalid WP multiplicities - A3B2_mC20_15_2e3f_f:O-Rh, expected RhO4 to be Rh2O3" +mp-1716,Rh2O3,-6.9859209945,-1.0721846198,0.025638012,0.025638012,GGA,Pbcn,A3B2_oP20_60_cd_d:O-Rh,20.0,A3B2_oP20_60_cd_d:O-Rh +mp-613620,Rh2O3,-6.9845249932,-1.0707886185,0.0270340132,0.0270340132,GGA,Pbca,A3B2_oP40_61_3c_2c:O-Rh,40.0,"Invalid WP multiplicities - A3B2_oP40_61_15c_5c:O-Rh, expected RhO3 to be Rh2O3" +mp-1179690,Rh2O3,-6.858797913,-0.9450615382,0.1527610935,0.1527610935,GGA,Pnma,A3B2_oP20_62_3c_2c:O-Rh,20.0,A3B2_oP20_62_3c_2c:O-Rh +mp-1189664,Rh2O3,-6.712944493,-0.7992081183,0.2986145135,0.2986145135,GGA,Pnma,A3B2_oP20_62_3c_2c:O-Rh,20.0,A3B2_oP20_62_3c_2c:O-Rh +mp-542734,Rh2O3,-6.981703745,-1.0679673702,0.0298552615,0.0298552615,GGA,R-3c,A3B2_hR30_167_e_c:O-Rh,10.0,A3B2_hR30_167_e_c:O-Rh +mp-1219486,RhO3,-5.909179975,-0.3580864741,0.5567657191000001,0.5567657191000001,GGA,R32,A3B_hR12_155_d_a:O-Rh,4.0,A3B_hR12_155_d_a:O-Rh +mp-725,RhO2,-6.9723646883,-1.2198029242,0.0,-0.326315741,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Rh,6.0,A2B_tP6_136_f_a:O-Rh +mp-1093763,YTlRh2,-4.198209455,1.691223045,2.2399419629,2.2399419629,GGA,Immm,A2BC_oI8_71_e_a_b:Rh-Tl-Y,4.0,A2BC_oI8_71_e_a_b:Rh-Tl-Y +mp-1002197,RuN,-8.07295294,0.7324957925000001,0.7324957925000001,0.7324957925000001,GGA,P-6m2,AB_hP2_187_a_d:N-Ru,2.0,AB_hP2_187_a_d:N-Ru +mp-999195,RuN,-8.3084620675,0.496986665,0.496986665,0.496986665,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Ru,4.0,AB_hP4_194_c_a:N-Ru +mp-1009770,RuN,-8.72628142,0.0791673125,0.0791673125,0.0791673125,GGA,F-43m,AB_cF8_216_a_c:N-Ru,2.0,AB_cF8_216_a_c:N-Ru +mp-1009769,RuN,-8.061615505,0.7438332275,0.7438332275,0.7438332275,GGA,Fm-3m,AB_cF8_225_a_b:N-Ru,2.0,AB_cF8_225_a_b:N-Ru +mp-1419585,MoN,-9.88294353,-0.2918710125,0.2552408162,0.2313060729,GGA,C2/m,AB_mC8_12_i_i:Mo-N,4.0,AB_mC8_12_i_i:Mo-N +mp-1205447,MoN,-9.7218834762,-0.1308109588,0.41630087,0.3923661267,GGA,C2/m,AB_mC32_12_2ij_ghj:Mo-N,16.0,"Invalid WP multiplicities - AB_mC32_12_3i2j_2gh3j:Mo-N, expected Mo7N9 to be MoN" +mp-1064706,MoN,-9.379769185,0.2113033325,0.7584151612000001,0.7344804179000001,GGA,Imma,AB_oI8_74_e_a:Mo-N,4.0,AB_oI8_74_e_a:Mo-N +mp-2811,MoN,-10.1381843463,-0.5471118288,0.0,-0.0239347433,GGA,P6_3mc,AB_hP16_186_ac_bc:Mo-N,16.0,"Invalid WP multiplicities - AB_hP16_186_ac_2b2c:Mo-N, expected MoN2 to be MoN" +mp-999503,MoN,-9.8905421025,-0.299469585,0.2476422438,0.2237075004,GGA,P6_3mc,AB_hP4_186_b_b:Mo-N,4.0,AB_hP4_186_b_b:Mo-N +mp-2355,MoN,-8.2773403425,1.313732175,1.8608440037,1.8369092604,GGA,P6/mmm,AB_hP4_191_e_c:Mo-N,4.0,AB_hP4_191_e_c:Mo-N +mp-13036,MoN,-10.04874958,-0.4576770625,0.0894347662,0.0655000229,GGA,P-6m2,AB_hP2_187_a_d:Mo-N,2.0,AB_hP2_187_a_d:Mo-N +mp-1059462,MoN,-8.88117945,0.7098930675,1.2570048962,1.2330701529,GGA,P6/mmm,AB_hP2_191_a_b:Mo-N,2.0,AB_hP2_191_a_b:Mo-N +mp-1065394,MoN,-10.12434091,-0.5332683925,0.0138434362,-0.0100913071,GGA,P6_3/mmc,AB_hP4_194_a_c:Mo-N,4.0,AB_hP4_194_a_c:Mo-N +mp-1078389,MoN,-10.1278510125,-0.5367784950000001,0.0103333337,-0.0136014096,GGA,P6_3/mmc,AB_hP8_194_ab_f:Mo-N,8.0,AB_hP8_194_ab_f:Mo-N +mp-13034,MoN,-9.813491385,-0.2224188675,0.3246929612,0.3007582179,GGA,F-43m,AB_cF8_216_a_c:Mo-N,2.0,AB_cF8_216_a_c:Mo-N +mp-13035,MoN,-9.399516705,0.1915558125,0.7386676413000001,0.7147328979,GGA,Pm-3m,AB_cP2_221_a_b:Mo-N,2.0,AB_cP2_221_a_b:Mo-N +mp-16730,MoN,-9.73762363,-0.1465511125,0.4005607163,0.3766259729,GGA,Fm-3m,AB_cF8_225_a_b:Mo-N,2.0,AB_cF8_225_a_b:Mo-N +mp-32652,Mo3N2,-9.70787569,0.134112346,0.571801809,0.571801809,GGA,P4/mmm,A3B2_tP5_123_ae_bd:Mo-N,5.0,A3B2_tP5_123_ae_bd:Mo-N +mp-1402363,MoN2,-9.2699516467,-0.09707166,0.2741725146,0.2741725146,GGA,C2/m,AB2_mC12_12_i_2i:Mo-N,6.0,AB2_mC12_12_i_2i:Mo-N +mp-1080193,MoN2,-9.2852681617,-0.112388175,0.2588559996,0.2588559996,GGA,P4/mbm,AB2_tP6_127_a_h:Mo-N,6.0,AB2_tP6_127_a_h:Mo-N +mp-530081,Mo15N16,-10.0895051066,-0.538902834,0.0,-0.009439774,GGA,Cc,A15B16_mC124_9_15a_16a:Mo-N,62.0,"Invalid WP multiplicities - A15B16_mC124_9_28a_32a:Mo-N, expected Mo7N8 to be Mo15N16" +mp-607371,RuN2,-8.524217125,0.1249136717,0.1249136717,0.1249136717,GGA,Pnnm,A2B_oP6_58_g_a:N-Ru,6.0,A2B_oP6_58_g_a:N-Ru +mp-1019082,RuN2,-8.0363943483,0.6127364483000001,0.6127364483000001,0.6127364483000001,GGA,P4/mbm,A2B_tP6_127_g_b:N-Ru,6.0,A2B_tP6_127_g_b:N-Ru +mp-1247498,MoRuN3,-8.923859007,0.102048478,0.3247949827,0.3247949827,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Ru,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Ru +mp-1080195,Mo2N3,-9.6304424545,-0.2902854555,0.155207554,0.155207554,GGA,P-1,A2B3_aP20_2_4i_6i:Mo-N,20.0,A2B3_aP20_2_4i_6i:Mo-N +mp-27953,Mo2N,-10.3699427317,-0.3606776833,0.0040635358,0.0040635358,GGA,I4_1/amd,A2B_tI12_141_e_a:Mo-N,6.0,A2B_tI12_141_e_a:Mo-N +mp-1221525,Mo2N,-10.34844665,-0.3391816017,0.0255596175,0.0255596175,GGA,R-3m,A2B_hR9_166_c_a:Mo-N,3.0,A2B_hR9_166_c_a:Mo-N +mp-21965,V8Ga41,-4.1977952118,-0.1809955081,0.0,-0.0488545724,GGA,R-3,A41B8_hR147_148_abd6f_cf:Ga-V,49.0,A41B8_hR147_148_abd6f_cf:Ga-V +mp-20405,V2Ga5,-4.9895741021,-0.2312466375,0.0,-0.0399662804,GGA,P4/mbm,A5B2_tP14_127_cj_g:Ga-V,14.0,A5B2_tP14_127_cj_g:Ga-V +mp-1216325,VGa,-6.1814616,-0.1254605537,0.0908123881,0.0908123881,GGA,P-6m2,AB_hP2_187_a_d:Ga-V,2.0,AB_hP2_187_a_d:Ga-V +mp-571557,V6Ga5,-6.5443618427,-0.2130967034,0.0,-0.0138191635,GGA,P6_3/mmc,A5B6_hP22_194_ach_gh:Ga-V,22.0,"Invalid WP multiplicities - A5B6_hP22_194_2ac2h_3g3h:Ga-V, expected V2Ga to be V6Ga5" +mp-1216480,V3Ga,-7.650900925,-0.0809473669,0.0931545087,0.03625582,GGA,Cmmm,AB3_oC8_65_b_ck:Ga-V,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Ga-V, expected V5Ga to be V3Ga" +mp-22568,V3Ga,-7.7440554337,-0.1741018756,0.0,-0.0568986888,GGA,Pm-3n,AB3_cP8_223_a_c:Ga-V,8.0,AB3_cP8_223_a_c:Ga-V +mp-1216444,V4Os,-9.618722128,-0.106123786,0.178366098,0.178366098,GGA,Fmmm,AB4_oF20_69_a_2g:Os-V,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Os-V, expected V6Os to be V4Os" +mp-1216505,V6Ga7,-6.0011945081,-0.1781092329,0.0408512954,0.0408512954,GGA,Cm,A7B6_mC52_8_2a6b_6a3b:Ga-V,26.0,"Invalid WP multiplicities - A7B6_mC52_8_2a10b_6a4b:Ga-V, expected V7Ga11 to be V6Ga7" +mp-1216501,V6Ga7,-5.9743310658,-0.1512457906,0.0677147377,0.0677147377,GGA,Fmm2,A7B6_oF104_42_2cd2e_2ac2de:Ga-V,26.0,"Invalid WP multiplicities - A7B6_oF104_42_2c3d4e_2a2cde:Ga-V, expected V6Ga13 to be V6Ga7" +mp-1096084,VGaOs2,-5.1856806,3.4560036381,3.67751933,3.663956125,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Os-V,4.0,AB2C_oI8_71_a_e_b:Ga-Os-V +mp-1187713,VGaOs2,-8.86319993,-0.2215156919,0.0,-0.013563205,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Os-V,4.0,AB2C_cF16_225_a_c_b:Ga-Os-V +mp-866121,V3Os,-9.975383765,-0.355612355,0.0,-0.2282864642,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-V,4.0,AB3_cF16_225_a_bc:Os-V +mp-1216312,VOs,-10.155496845,0.000139905,0.2372148083,0.2372148083,GGA,P-6m2,AB_hP2_187_a_d:Os-V,2.0,AB_hP2_187_a_d:Os-V +mp-12778,VOs,-10.388973165,-0.233336415,0.0037384883,0.0037384883,GGA,Pm-3m,AB_cP2_221_a_b:Os-V,2.0,AB_cP2_221_a_b:Os-V +mp-1189774,V3Ga2,-6.773191474,-0.111609423,0.0910886597,0.0910886597,GGA,P4_132,A2B3_cP20_213_c_d:Ga-V,20.0,A2B3_cP20_213_c_d:Ga-V +mp-1190304,V5Ga3,-6.9281287313,-0.1151514291,0.0827806191,0.0827806191,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-V,16.0,A3B5_hP16_193_g_dg:Ga-V +mp-24291,ThH2,-5.3288921867,-0.59578874,0.0,-0.0867362338,GGA,I4/mmm,A2B_tI6_139_d_a:H-Th,3.0,A2B_tI6_139_d_a:H-Th +mp-1008734,ThH2,-5.3194225133,-0.5863190667,0.0094696733,-0.0772665604,GGA,Fm-3m,A2B_cF12_225_c_a:H-Th,3.0,A2B_cF12_225_c_a:H-Th +mp-973963,NiH3,-3.8326519162,0.1569267875,0.2193145912,0.2193145912,GGA,P6_3/mmc,A3B_hP8_194_h_c:H-Ni,8.0,A3B_hP8_194_h_c:H-Ni +mp-753890,Ni2H,-5.0428812367,-0.0585481017,0.0246356367,0.0246356367,GGA,P-3m1,AB2_hP3_164_a_d:H-Ni,3.0,AB2_hP3_164_a_d:H-Ni +mp-1220079,Ni2H,-5.04607319,-0.061740055,0.0214436833,0.0214436833,GGA,R-3m,AB2_hR9_166_a_c:H-Ni,3.0,AB2_hR9_166_a_c:H-Ni +mp-861653,ThH3,-4.949461175,-0.5514520787,0.0491114945,0.0491114945,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Th,4.0,A3B_tI8_139_ad_b:H-Th +mp-1187412,Th(NiH)2,-5.610167786,-0.458251046,0.0537923855,0.0537923855,GGA,P6/mmm,A2B2C_hP5_191_c_d_a:H-Ni-Th,5.0,A2B2C_hP5_191_c_d_a:H-Ni-Th +mp-976948,Ni3H,-4.7303947138,0.4528893075,0.5152771113,0.5152771113,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Ni,8.0,AB3_hP8_194_c_h:H-Ni +mp-973895,Ni3H,-4.70550133,0.4777826913,0.540170495,0.540170495,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Ni,4.0,AB3_cF16_225_a_bc:H-Ni +mp-24719,NiH,-4.71120697,-0.1247756075,0.0,-0.0784705663,GGA,Fm-3m,AB_cF8_225_a_b:H-Ni,2.0,AB_cF8_225_a_b:H-Ni +mp-24202,Th4H15,-4.8421055297,-0.6028253363,0.0,-0.1384446384,GGA,I-43d,A15B4_cI76_220_ae_c:H-Th,38.0,"Invalid WP multiplicities - A15B4_cI76_220_a2e_c:H-Th, expected Th4H27 to be Th4H15" +mp-976082,Mn2GaW,-8.6470437125,-0.0694795033,0.0006634105,0.0006634105,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-W,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-W +mp-1071588,Zr2H3Pd,-5.7549074467,-0.3459972458,0.34719812,0.34719812,GGA,I4/mmm,A3BC2_tI12_139_ad_b_e:H-Pd-Zr,6.0,A3BC2_tI12_139_ad_b_e:H-Pd-Zr +mp-972087,ZrH3,-5.06846452,-0.3869948288,0.1153129587,0.1153129587,GGA,Pm-3m,A3B_cP4_221_c_a:H-Zr,4.0,A3B_cP4_221_c_a:H-Zr +mp-1070557,Zr2H2Pd,-6.355151062,-0.54300403,0.119626513,0.119626513,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:H-Pd-Zr,5.0,A2BC2_tI10_139_d_a_e:H-Pd-Zr +mp-24286,ZrH2,-5.7807946233,-0.6697437167,0.0,-0.2443944967,GGA,I4/mmm,A2B_tI6_139_d_a:H-Zr,3.0,A2B_tI6_139_d_a:H-Zr +mp-24155,ZrH2,-5.7739990267,-0.66294812,0.0067955967,-0.2375989,GGA,Fm-3m,A2B_cF12_225_c_a:H-Zr,3.0,A2B_cF12_225_c_a:H-Zr +mp-632219,ZrH,-6.37625046,-0.4060371225,0.096270665,0.096270665,GGA,I-4m2,AB_tI4_119_a_c:H-Zr,2.0,AB_tI4_119_a_c:H-Zr +mp-697179,ZrH,-6.47227134,-0.5020580025,0.000249785,0.000249785,GGA,P4_2/mmc,AB_tP4_131_e_c:H-Zr,4.0,AB_tP4_131_e_c:H-Zr +mp-1017632,Ni3SnN,-6.011226032,-0.073930668,0.0803161422,0.0803161422,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Ni-Sn,5.0,AB3C_cP5_221_b_c_a:N-Ni-Sn +mp-1247230,Ni(SnN)2,-5.9525993955,0.1418546525,0.2458187085,0.2458187085,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:N-Ni-Sn,20.0,A2BC2_oP20_62_2c_c_2c:N-Ni-Sn +mp-27747,PdI2,-3.24563997,-0.5367684667,0.0,-0.5367684667,GGA,P2_1/c,A2B_mP12_14_2e_e:I-Pd,12.0,A2B_mP12_14_2e_e:I-Pd +mp-569017,PdI2,-3.2299720717,-0.5211005683000001,0.0156678983,-0.5211005683000001,GGA,Pnnm,A2B_oP6_58_g_a:I-Pd,6.0,A2B_oP6_58_g_a:I-Pd +mp-2458827,TePdI2,-3.3904584912,-0.5729783904,0.0,-0.0135572589,GGA,P-1,A2BC_aP8_2_2i_i_i:I-Pd-Te,8.0,"Invalid WP multiplicities - A2BC_aP8_2_4i_i_i:I-Pd-Te, expected TePdI4 to be TePdI2" +mp-1186445,Pd3I,-4.1993481625,0.0539047825,0.2551929575,0.2551929575,GGA,I4/mmm,AB3_tI8_139_a_bd:I-Pd,4.0,AB3_tI8_139_a_bd:I-Pd +mp-29748,TePdI,-3.8696696767,-0.6041516589,0.0,-0.0279805933,GGA,P4_2/mmc,ABC_tP12_131_k_j_l:I-Pd-Te,12.0,ABC_tP12_131_k_j_l:I-Pd-Te +mp-1228753,AsPRu,-6.90903442,-0.4600932694,0.0430878592,0.0430878592,GGA,P2/m,ABC_mP6_10_m_n_ce:As-P-Ru,6.0,ABC_mP6_10_m_n_ae:As-P-Ru +mp-1228799,AsP,-4.97713796,0.0590724958,0.0590724958,0.0590724958,GGA,C2/m,AB_mC8_12_i_i:As-P,4.0,AB_mC8_12_i_i:As-P +mp-1228795,AsP,-4.95312385,0.0830866058,0.0830866058,0.0830866058,GGA,R3m,AB_hR6_160_a_a:As-P,2.0,AB_hR6_160_a_a:As-P +mp-645,TbP,-6.632659605,-1.6088253017,0.0,-1.6088253017,GGA,Fm-3m,AB_cF8_225_a_b:P-Tb,2.0,AB_cF8_225_a_b:P-Tb +mp-1217877,Tb14(P8Ir11)3,-7.835714577,-0.9840425559,0.0,-0.1461265529,GGA,Cm,A33B24C14_mC142_8_33a_24a_14a:Ir-P-Tb,71.0,A33B24C14_mC142_8_33a_24a_14a:Ir-P-Tb +mp-1191625,TePIr,-6.4131651817,-0.6148176550000001,0.0367570321,0.0367570321,GGA,Pbca,ABC_oP24_61_c_c_c:Ir-P-Te,24.0,ABC_oP24_61_c_c_c:Ir-P-Te +mp-1747,K2Te,-2.95272588,-1.1646912842,0.0,-0.1660311059,GGA,Fm-3m,A2B_cF12_225_c_a:K-Te,3.0,A2B_cF12_225_c_a:K-Te +mp-1554,KTe,-3.1733018158,-1.0464493957,0.0033621367,-0.0120041308,GGA,P-62m,AB_hP12_189_fg_eh:K-Te,12.0,AB_hP12_189_fg_eh:K-Te +mp-2072,KTe,-3.1766639525,-1.0498115323,0.0,-0.0153662675,GGA,P6_3/mmc,AB_hP8_194_ac_f:K-Te,8.0,AB_hP8_194_ac_f:K-Te +mp-7289,K2Te3,-3.286440768,-0.9562976532,0.0,-0.1164484273,GGA,Pnma,A2B3_oP20_62_d_3c:K-Te,20.0,A2B3_oP20_62_d_3c:K-Te +mp-30401,KAu2,-2.8575825192,-0.3048615368,0.0054952813,0.0054952813,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Au-K,12.0,A2B_hP12_194_ah_f:Au-K +mp-1185106,KTe3,-3.1307536875,-0.4956745307,0.1020115025,0.1020115025,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Te,8.0,AB3_hP8_194_c_h:K-Te +mp-1298,KAu5,-3.1398883767,-0.2265868855,0.0,-0.0741561171,GGA,P6/mmm,A5B_hP6_191_cg_a:Au-K,6.0,"Invalid WP multiplicities - A5B_hP6_191_2cg_a:Au-K, expected KAu7 to be KAu5" +mp-8700,K2Au3,-2.75235357,-0.3438647912,0.0,-0.069489408,GGA,Immm,A3B2_oI10_71_af_h:Au-K,5.0,A3B2_oI10_71_af_h:Au-K +mp-644,K5Te3,-2.9962317525,-1.1234927006,0.0124786456,0.0124786456,GGA,I4/m,A5B3_tI32_87_d2h_eh:K-Te,16.0,A5B3_tI32_87_d2h_eh:K-Te +mp-3553,KTeAu,-3.3278803733,-0.8186847599,0.0,-0.118810405,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-K-Te,6.0,ABC_hP6_194_c_a_d:Au-K-Te +mp-505302,U5Ge4,-8.51373957,-0.1860549622,0.0389939838,0.0389939838,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Ge-U,18.0,A4B5_hP18_193_bg_dg:Ge-U +mp-16373,UGe2,-7.0315550633,-0.1857331567,0.1107156204,0.1107156204,GGA,Cmcm,A2B_oC12_63_2c_c:Ge-U,6.0,A2B_oC12_63_2c_c:Ge-U +mp-1237,UGe2,-7.1108710267,-0.26504912,0.0313996571,0.0313996571,GGA,Cmmm,A2B_oC12_65_acg_h:Ge-U,6.0,A2B_oC12_65_acg_h:Ge-U +mp-622345,U5Ge3,-8.76832153,0.0224451719,0.2251816706,0.2251816706,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-U,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_3d3g:Ge-U, expected U5Ge to be U5Ge3" +mp-1187668,U3Ge,-9.76510189,-0.1407874188,0.021786675,-0.0330461808,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-U,4.0,AB3_tI8_139_a_bd:Ge-U +mp-972422,U3Ge,-9.786888565,-0.1625740938,0.0,-0.0548328558,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-U,4.0,AB3_cP4_221_a_c:Ge-U +mp-972551,U3Nb,-10.652369225,0.3415145425,0.3415145425,0.3415145425,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-U,8.0,AB3_hP8_194_c_h:Nb-U +mp-2607,UGe3,-6.6133471075,-0.3232237138,0.0,-0.1244368738,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-U,4.0,A3B_cP4_221_c_a:Ge-U +mp-21813,U2Nb3Ge4,-8.3675202828,-0.4365373317,0.0,-0.063626151,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-U,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-U +mp-1216538,UNb,-10.492178925,0.2041786,0.2041786,0.2041786,GGA,Cmmm,AB_oC4_65_a_c:Nb-U,2.0,AB_oC4_65_a_c:Nb-U +mp-1216823,U2Ge3,-7.318958548,-0.028577831,0.2464509968,0.2464509968,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-U,5.0,A3B2_hP5_187_abc_i:Ge-U +mp-1179674,Re2O9,-7.6287870936,-1.3188550235,0.3401354658,0.3401354658,GGA,P2_1/m,A9B2_mP22_11_3e3f_2e:O-Re,22.0,A9B2_mP22_11_3e3f_2e:O-Re +mp-1179307,ReO5,-7.260253025,-1.0639245681,0.4568167137,0.4568167137,GGA,I4_1/a,A5B_tI24_88_af_b:O-Re,12.0,A5B_tI24_88_af_b:O-Re +mp-1219127,Re3HgO9,-8.2066996808,-1.8868950407,0.085111095,0.085111095,GGA,P6mm,AB9C3_hP13_183_a_ce_c:Hg-O-Re,13.0,AB9C3_hP13_183_a_ce_c:Hg-O-Re +mp-755333,HgO2,-3.43340418,-0.0343849175,0.3914080596,0.3914080596,GGA,C2/m,AB2_mC6_12_a_i:Hg-O,3.0,AB2_mC6_12_a_i:Hg-O +mp-2278,HgO2,-3.4434958167,-0.0444765542,0.3813164229,0.3813164229,GGA,C2/m,AB2_mC6_12_a_i:Hg-O,3.0,AB2_mC6_12_a_i:Hg-O +mp-1181027,HgO2,-3.4602462233,-0.0612269608,0.3645660162,0.3645660162,GGA,C2/m,AB2_mC6_12_a_i:Hg-O,3.0,AB2_mC6_12_a_i:Hg-O +mp-557266,HgO2,-3.4659475675,-0.066928305,0.3588646721,0.3588646721,GGA,Pbca,AB2_oP12_61_a_c:Hg-O,12.0,AB2_oP12_61_a_c:Hg-O +mp-556859,HgO,-3.2633655394,-0.6381810012,0.0005084644,-0.5879847725,GGA,P2_1/m,AB_mP16_11_4e_4e:Hg-O,16.0,"Invalid WP multiplicities - AB_mP8_11_3e_6e:Hg-O, expected HgO2 to be HgO" +mp-1224,HgO,-3.2638740038,-0.6386894656000001,0.0,-0.5884932369,GGA,Pnma,AB_oP8_62_c_c:Hg-O,8.0,AB_oP8_62_c_c:Hg-O +mp-7826,HgO,-3.2625874383,-0.6374029002,0.0012865654,-0.5872066715,GGA,P3_121,AB_hP6_152_a_b:Hg-O,6.0,AB_hP6_152_a_b:Hg-O +mp-1077107,HgO,-3.26194192,-0.6367573819,0.0019320838,-0.5865611531,GGA,P3_221,AB_hP6_154_a_b:Hg-O,6.0,AB_hP6_154_a_b:Hg-O +mp-545619,HgO,-3.115970965,-0.4907864269,0.1479030388,-0.4405901981,GGA,Fm-3m,AB_cF8_225_a_b:Hg-O,2.0,AB_cF8_225_a_b:Hg-O +mp-1016092,Re2O7,-8.6405300812,-2.0276550425,0.0,-0.1286861711,GGA,P2_12_12_1,A7B2_oP72_19_14a_4a:O-Re,72.0,"Invalid WP multiplicities - A7B2_oP72_19_53a_13a:O-Re, expected Re13O53 to be Re2O7" +mp-1042110,Re2O7,-8.6016901167,-1.9888150779,0.0388399646,-0.0898462065,GGA,Cmc2_1,A7B2_oC36_36_a3b_b:O-Re,18.0,"Invalid WP multiplicities - A7B2_oC36_36_a4b_b:O-Re, expected Re2O9 to be Re2O7" +mp-1368296,Re2O7,-8.5192253217,-1.9063502829,0.1213047596,-0.0073814115,GGA,Cmcm,A7B2_oC36_63_c2eg_g:O-Re,18.0,"Invalid WP multiplicities - A7B2_oC36_63_c3eg_g:O-Re, expected Re2O9 to be Re2O7" +mp-1342139,Re2O7,-8.0060551761,-1.3931801374,0.6344749051,0.505788734,GGA,I4_1md,A7B2_tI36_109_3ac_b:O-Re,18.0,"Invalid WP multiplicities - A7B2_tI36_109_4a3c_b:O-Re, expected ReO8 to be Re2O7" +mp-616597,ReHgO4,-7.1828241521,-1.7603304196,0.0,-0.0435313906,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Hg-O-Re,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Hg-O-Re, expected ReHgO13 to be ReHgO4" +mp-32795,Re3O8,-8.8737736582,-1.8822199086,0.1893824965,0.1893824965,GGA,C2/m,A8B3_mC22_12_2ij_af:O-Re,11.0,"Invalid WP multiplicities - A8B3_mC22_12_4i3j_ae:O-Re, expected Re3O20 to be Re3O8" +mp-667343,Re2(HgO2)5,-5.8977715071,-1.4345748419,0.0004591935,-0.0161950271,GGA,P2_1/c,A5B10C2_mP68_14_5e_10e_2e:Hg-O-Re,68.0,"Invalid WP multiplicities - A5B10C2_mP68_14_17e_36e_4e:Hg-O-Re, expected Re4Hg17O36 to be Re2(HgO2)5" +mp-555759,Re2(HgO2)5,-5.8982307006,-1.4350340354,0.0,-0.0166542206,GGA,P2_1/c,A5B10C2_mP34_14_a2e_5e_e:Hg-O-Re,34.0,"Invalid WP multiplicities - A5B10C2_mP34_14_2a7e_20e_e:Hg-O-Re, expected Re(Hg2O5)4 to be Re2(HgO2)5" +mp-1095546,ReO2,-9.2688550008,-1.8228867983,0.0760820731,0.0760820731,GGA,P2_1/c,A2B_mP12_14_2e_e:O-Re,12.0,A2B_mP12_14_2e_e:O-Re +mp-7228,ReO2,-9.343245855,-1.8972776525,0.0016912189,0.0016912189,GGA,Pbcn,A2B_oP12_60_d_c:O-Re,12.0,A2B_oP12_60_d_c:O-Re +mp-12875,ReO2,-9.2219496683,-1.7759814658000002,0.1229874056,0.1229874056,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Re,6.0,A2B_tP6_136_f_a:O-Re +mp-667291,ReHg2O5,-6.2301949872,-1.5070285533,0.0,-0.0271083722,GGA,P-1,A2B5C_aP32_2_bd3i_10i_2i:Hg-O-Re,32.0,"Invalid WP multiplicities - A2B5C_aP32_2_bd6i_18i_3i:Hg-O-Re, expected Re3Hg7O18 to be ReHg2O5" +mp-547271,ReO3,-8.954536,-2.1333876703,0.00295231,-0.1383269753,GGA,P4/mbm,A3B_tP8_127_bg_a:O-Re,8.0,A3B_tP8_127_bg_a:O-Re +mp-755021,ReO3,-8.9518766,-2.1307282703,0.00561171,-0.1356675753,GGA,R-3c,A3B_hR24_167_e_b:O-Re,8.0,A3B_hR24_167_e_b:O-Re +mp-190,ReO3,-8.95748831,-2.1363399803,0.0,-0.1412792853,GGA,Pm-3m,A3B_cP4_221_c_b:O-Re,4.0,A3B_cP4_221_c_b:O-Re +mp-9761,ReO3,-8.85066197,-2.0295136403,0.10682634,-0.0344529453,GGA,P6_322,A3B_hP8_182_g_c:O-Re,8.0,A3B_hP8_182_g_c:O-Re +mp-20741,ReO3,-8.9556095394,-2.1344612097,0.0018787706,-0.1394005147,GGA,Im-3,A3B_cI32_204_g_c:O-Re,16.0,A3B_cI32_204_g_c:O-Re +mp-1237229,ReO3,-8.9517747531,-2.1306264234,0.0057135569,-0.1355657284,GGA,Im-3,A3B_cI32_204_g_c:O-Re,16.0,A3B_cI32_204_g_c:O-Re +mp-1173333,Re3O10,-7.7510891546,-1.0741300263,0.9869665355,0.9869665355,GGA,C2,A10B3_mC26_5_2a4c_bc:O-Re,13.0,"Invalid WP multiplicities - A10B3_mC26_5_2a5c_bc:O-Re, expected ReO4 to be Re3O10" +mp-1100773,Y3Cd,-5.1768182025,-0.0962424275,0.0816277742,0.0816277742,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-Y,4.0,AB3_cP4_221_a_c:Cd-Y +mp-582709,Y13Cd58,-2.1402899237,-0.2023782258,0.0231261287,0.0231261287,GGA,P6_3/mmc,A58B13_hP142_194_bcfghij4kl_a2hk:Cd-Y,142.0,"Invalid WP multiplicities - A58B13_hP142_194_2b2c4f5g6h11i11j42k19l_2a9h7k:Cd-Y, expected Y71Cd657 to be Y13Cd58" +mp-2349,YCd3,-2.6018256412,-0.2930405429,0.0,-0.0159489173,GGA,Cmcm,A3B_oC16_63_cg_c:Cd-Y,8.0,A3B_oC16_63_cg_c:Cd-Y +mp-571059,YCd3,-2.5815042850000003,-0.2727191867,0.0203213563,0.004372439,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Y,4.0,A3B_cF16_225_ac_b:Cd-Y +mp-1199736,Y11Cd45,-2.2537290929,-0.2419215671,0.0,-0.0116754262,GGA,F-43m,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Y,112.0,A45B11_cF448_216_ac4efg5h_bd2eh:Cd-Y +mp-865525,YCdHg2,-2.37437763,-0.3751972292,0.0,-0.0359644913,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Y +mp-915,YCd,-4.05042084,-0.3557404033,0.0,-0.1068899492,GGA,Pm-3m,AB_cP2_221_a_b:Cd-Y,2.0,AB_cP2_221_a_b:Cd-Y +mp-1331,YCd2,-3.1025508167,-0.3318006056,0.0,-0.0178601092,GGA,P6/mmm,A2B_hP3_191_c_b:Cd-Y,3.0,A2B_hP3_191_c_b:Cd-Y +mp-1093782,Y2CdHg,-1.6841310275,1.8557470604,2.291757785,2.291757785,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Y +mp-1187706,Y2CdHg,-3.9669084475,-0.4270303596,0.008980365,0.008980365,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Y,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Y +mp-7541,SnP3,-5.0677328988,-0.005363055,0.0132439081,0.0132439081,GGA,R-3m,A3B_hR24_166_h_c:P-Sn,8.0,A3B_hR24_166_h_c:P-Sn +mp-27148,BeP2,-5.1761697046,-0.3208304118,0.0,-0.1918137112,GGA,C2/c,AB2_mC48_15_2f_2e3f:Be-P,24.0,"Invalid WP multiplicities - AB2_mC48_15_7f_4e9f:Be-P, expected Be7P11 to be BeP2" +mp-1227358,BeP2,-4.6146935017,0.2406457911,0.5614762029,0.3696624917,GGA,Imma,AB2_oI12_74_e_2e:Be-P,6.0,AB2_oI12_74_e_2e:Be-P +mp-684588,Sn3P4,-4.6322553914,0.1794482645,0.2113459156,0.2113459156,GGA,C2,A4B3_mC14_5_2c_ac:P-Sn,7.0,"Invalid WP multiplicities - A4B3_mC14_5_3c_ac:P-Sn, expected SnP2 to be Sn3P4" +mp-1009086,BeSnP2,-4.8626089462,-0.2187115129,0.0219112959,0.0219112959,GGA,I-42d,AB2C_tI16_122_a_d_b:Be-P-Sn,8.0,AB2C_tI16_122_a_d_b:Be-P-Sn +mp-29629,Be3P2,-4.5576899914,-0.1487212697,0.0835087914,0.0437769774,GGA,I4_1/acd,A3B2_tI160_142_3g_abcef:Be-P,80.0,A3B2_tI160_142_3g_abcef:Be-P +mp-567841,Be3P2,-4.6411987828,-0.2322300611,0.0,-0.039731814,GGA,Ia-3,A3B2_cI80_206_e_ad:Be-P,40.0,"Invalid WP multiplicities - A3B2_cI80_206_e_3a3d:Be-P, expected BeP2 to be Be3P2" +mp-1084771,Be3P2,-4.484473546,-0.0755048243,0.1567252367,0.1169934227,GGA,Pn-3m,A3B2_cP10_224_d_b:Be-P,10.0,A3B2_cP10_224_d_b:Be-P +mp-7526,SnP,-4.708031645,0.0034055358,0.0406194621,0.0406194621,GGA,I4mm,AB_tI4_107_a_a:P-Sn,2.0,AB_tI4_107_a_a:P-Sn +mp-1218948,SnP,-4.6940874625,0.0173497183,0.0545636446,0.0545636446,GGA,P-3m1,AB_hP4_164_c_d:P-Sn,4.0,AB_hP4_164_c_d:P-Sn +mp-475,SnP,-4.705815495,0.0056216858,0.0428356121,0.0428356121,GGA,Fm-3m,AB_cF8_225_a_b:P-Sn,2.0,AB_cF8_225_a_b:P-Sn +mp-27410,Sn4P3,-4.6537009071,-0.0425302014,0.0,-0.0394655986,GGA,R-3m,A3B4_hR21_166_ac_2c:P-Sn,7.0,A3B4_hR21_166_ac_2c:P-Sn +mp-1187044,Sn3P,-4.0943433025,0.2661612154,0.2909704996,0.2909704996,GGA,P6_3/mmc,AB3_hP8_194_c_h:P-Sn,8.0,AB3_hP8_194_c_h:P-Sn +mp-1187034,Sn3P,-4.0891961075,0.2713084104,0.2961176946,0.2961176946,GGA,Pm-3m,AB3_cP4_221_a_c:P-Sn,4.0,AB3_cP4_221_a_c:P-Sn +mp-1187035,Sn3P,-4.076228205,0.2842763129,0.3090855971,0.3090855971,GGA,Fm-3m,AB3_cF16_225_a_bc:P-Sn,4.0,AB3_cF16_225_a_bc:P-Sn +mp-673683,Sn16P15,-4.4183826884,0.2704136755,0.308828051,0.308828051,GGA,P1,A15B16_aP31_1_15a_16a:P-Sn,31.0,A15B16_aP31_1_15a_16a:P-Sn +mp-19984,TbB4,-5.730091479,0.5402951577,1.139700605,0.989661614,GGA,P4/mbm,A4B_tP20_127_ehi_g:B-Tb,20.0,"Invalid WP multiplicities - A4B_tP20_127_eh2i_g:B-Tb, expected TbB6 to be TbB4" +mp-568225,TbB4,-6.869792084,-0.5994054473,0.0,-0.150038991,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Tb,20.0,"Invalid WP multiplicities - A4B_tP20_127_3e2g3i_h:B-Tb, expected TbB11 to be TbB4" +mp-12763,TbB6,-6.8033208957,-0.4160756493,0.02018478,0.02018478,GGA,Pm-3m,A6B_cP7_221_e_b:B-Tb,7.0,A6B_cP7_221_e_b:B-Tb +mp-1214755,BPd6,-5.5934543043,-0.1993567856,0.0,-0.0106259795,GGA,C2/c,AB6_mC28_15_e_3f:B-Pd,14.0,AB6_mC28_15_e_3f:B-Pd +mp-1105080,BPd6,-5.5877254507,-0.193627932,0.0057288536,-0.004897126,GGA,Fddd,AB6_oF56_70_a_eh:B-Pd,14.0,AB6_oF56_70_a_eh:B-Pd +mp-2617,B2Pd5,-5.8635038864,-0.255190659,0.0063125589,0.0063125589,GGA,C2/c,A2B5_mC28_15_f_e2f:B-Pd,14.0,"Invalid WP multiplicities - A2B5_mC28_15_f_e3f:B-Pd, expected B2Pd7 to be B2Pd5" +mp-1196893,B3Pd16,-5.6252437474,-0.2085972067,0.0023476632,0.0023476632,GGA,C2/c,A3B16_mC76_15_ef_2e7f:B-Pd,38.0,A3B16_mC76_15_ef_2e7f:B-Pd +mp-20517,BPd3,-5.8127813144000005,-0.2580220142,0.0,-0.0140771771,GGA,Pnma,AB3_oP16_62_c_cd:B-Pd,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:B-Pd, expected BPd5 to be BPd3" +mp-3022,TbBPd3,-5.989051826,-0.6183711658000001,0.1127499551,0.1127499551,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Tb,5.0,AB3C_cP5_221_b_c_a:B-Pd-Tb +mp-1228682,BPd4,-5.47166142,0.0081223822,0.2419539392,0.2419539392,GGA,Pmm2,AB4_oP5_25_a_abcd:B-Pd,5.0,AB4_oP5_25_a_abcd:B-Pd +mp-965,TbB2,-6.5247615533,-0.5270450061,0.0,-0.0275404667,GGA,P6/mmm,A2B_hP3_191_c_b:B-Tb,3.0,A2B_hP3_191_c_b:B-Tb +mp-1104066,TbB12,-6.7700982815,-0.2480161777,0.0,-0.017475621,GGA,Fm-3m,A12B_cF52_225_h_b:B-Tb,13.0,A12B_cF52_225_h_b:B-Tb +mp-1190529,BPd5,-5.6475047225,-0.2177045857,0.0,-0.0044002545,GGA,P2_1/c,AB5_mP24_14_e_5e:B-Pd,24.0,AB5_mP24_14_e_5e:B-Pd +mp-1228665,BPd5,-5.5150095917,-0.0852094549,0.1324951308,0.1280948764,GGA,I4/mmm,AB5_tI12_139_a_b2e:B-Pd,6.0,"Invalid WP multiplicities - AB5_tI12_139_a_b3e:B-Pd, expected BPd7 to be BPd5" +mp-7424,BPd2,-5.9458632867,-0.2661448231,0.0,-0.0279668746,GGA,Pnnm,AB2_oP6_58_a_g:B-Pd,6.0,AB2_oP6_58_a_g:B-Pd +mp-1228679,Ba(B2Pt3)2,-6.3397397582,-0.4248904906,0.0,-0.0923995978,GGA,P-3m1,A4BC6_hP11_164_2d_a_i:B-Ba-Pt,11.0,A4BC6_hP11_164_2d_a_i:B-Ba-Pt +mp-954,BaB6,-6.4093045886,-0.409972365,0.0,-0.409972365,GGA,Pm-3m,A6B_cP7_221_e_b:B-Ba,7.0,A6B_cP7_221_e_b:B-Ba +mp-684943,Ta22O21,-10.212758304,-1.7301636343,0.5510580828,0.5510580828,GGA,P1,A21B22_aP43_1_21a_22a:O-Ta,43.0,A21B22_aP43_1_21a_22a:O-Ta +mp-684897,Ta2O5,-10.1922168286,-3.2709312834,0.0655494593,-0.1340448827,GGA,P1,A5B2_aP21_1_15a_6a:O-Ta,21.0,A5B2_aP21_1_15a_6a:O-Ta +mp-1218141,Ta2O5,-10.1161610014,-3.1948754563,0.1416052864,-0.0579890556,GGA,P1,A5B2_aP7_1_5a_2a:O-Ta,7.0,A5B2_aP7_1_5a_2a:O-Ta +mp-1245264,Ta2O5,-10.0701991967,-3.1489136515,0.1875670912,-0.0120272508,GGA,P1,A5B2_aP105_1_75a_30a:O-Ta,105.0,A5B2_aP105_1_75a_30a:O-Ta +mp-1245285,Ta2O5,-10.092097549,-3.1708120038,0.1656687389,-0.0339256031,GGA,P1,A5B2_aP105_1_75a_30a:O-Ta,105.0,A5B2_aP105_1_75a_30a:O-Ta +mp-1245299,Ta2O5,-10.0886034581,-3.1673179129,0.1691628298,-0.0304315122,GGA,P1,A5B2_aP105_1_75a_30a:O-Ta,105.0,A5B2_aP105_1_75a_30a:O-Ta +mp-1372329,Ta2O5,-7.3041589924,-0.3828734472,2.9536072955,2.7540129535,GGA,P1,A5B2_aP21_1_15a_6a:O-Ta,21.0,A5B2_aP21_1_15a_6a:O-Ta +mp-624688,Ta2O5,-9.8540818843,-2.9327963391000003,0.4036844036,0.2040900616,GGA,C2,A5B2_mC14_5_a2c_c:O-Ta,7.0,"Invalid WP multiplicities - A5B2_mC14_5_a4c_c:O-Ta, expected Ta2O9 to be Ta2O5" +mp-1179062,Ta2O5,-10.1664126343,-3.2451270891,0.0913536536,-0.1082406884,GGA,C2,A5B2_mC14_5_a2c_c:O-Ta,7.0,"Invalid WP multiplicities - A5B2_mC14_5_a3c_c:O-Ta, expected Ta2O7 to be Ta2O5" +mp-1218194,Ta2O5,-10.2097458686,-3.2884603234,0.0480204193,-0.1515739227,GGA,C2,A5B2_mC42_5_a7c_3c:O-Ta,21.0,A5B2_mC42_5_a7c_3c:O-Ta +mp-1218312,Ta2O5,-10.2193490758,-3.2980635307,0.038417212,-0.16117713,GGA,Pm,A5B2_mP77_6_33a22b_22a:O-Ta,77.0,A5B2_mP77_6_33a22b_22a:O-Ta +mp-676422,Ta2O5,-9.9473234086,-3.0260378634,0.3104428793,0.1108485373,GGA,Cm,A5B2_mC14_8_5a_2a:O-Ta,7.0,A5B2_mC14_8_5a_2a:O-Ta +mp-780772,Ta2O5,-10.2006975467,-3.2794120015,0.0570687412,-0.1425256008,GGA,Cm,A5B2_mC42_8_7a4b_4ab:O-Ta,21.0,"Invalid WP multiplicities - A5B2_mC42_8_7a7b_4a2b:O-Ta, expected Ta8O21 to be Ta2O5" +mp-1238961,Ta2O5,-10.2477242657,-3.3264387205,0.0100420221,-0.1895523199,GGA,P2/m,A5B2_mP7_10_amn_m:O-Ta,7.0,A5B2_mP7_10_amn_m:O-Ta +mp-1218160,Ta2O5,-10.0980999429,-3.1768143977,0.159666345,-0.039927997,GGA,C2/m,A5B2_mC42_12_af6i_3i:O-Ta,21.0,A5B2_mC42_12_ae6i_3i:O-Ta +mp-554867,Ta2O5,-9.9391126271,-3.017827082,0.3186536607,0.1190593187,GGA,Pmmm,A5B2_oP7_47_afgj_bc:O-Ta,7.0,"Invalid WP multiplicities - A5B2_oP7_47_afg2j_bc:O-Ta, expected Ta2O7 to be Ta2O5" +mp-1104837,Ta2O5,-10.2132758414,-3.2919902962,0.0444904464,-0.1551038956,GGA,Pmma,A5B2_oP14_51_befi_ae:O-Ta,14.0,"Invalid WP multiplicities - A5B2_oP14_51_b2ef3i_ae:O-Ta, expected TaO5 to be Ta2O5" +mp-1405465,Ta2O5,-10.1802702057,-3.2589846605,0.0774960821,-0.1220982599,GGA,Pbam,A5B2_oP14_55_agh_g:O-Ta,14.0,A5B2_oP14_55_agh_g:O-Ta +mp-1392387,Ta2O5,-10.2566576364,-3.3353720912,0.0011086514,-0.1984856906,GGA,Pmmn,A5B2_oP14_59_a2e_e:O-Ta,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:O-Ta, expected Ta2O7 to be Ta2O5" +mp-1539317,Ta2O5,-10.2577662879,-3.3364807427,0.0,-0.199594342,GGA,Pmmn,A5B2_oP14_59_a2e_e:O-Ta,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:O-Ta, expected Ta2O7 to be Ta2O5" +mp-1043362,Ta2O5,-10.0443313314,-3.1230457863,0.2134349564,0.0138406144,GGA,Cmcm,A5B2_oC28_63_c2f_f:O-Ta,14.0,"Invalid WP multiplicities - A5B2_oC28_63_2c5f_f:O-Ta, expected TaO6 to be Ta2O5" +mp-1218001,Ta2O5,-10.1476884643,-3.2264029191,0.1100778236,-0.0895165184,GGA,I4/mmm,A5B2_tI14_139_af_e:O-Ta,7.0,A5B2_tI14_139_af_e:O-Ta +mp-1079159,Ta2O3,-10.310498911,-2.5993746322,0.2032691916,0.2032691916,GGA,C2/m,A3B2_mC20_12_3i_2i:O-Ta,10.0,A3B2_mC20_12_3i_2i:O-Ta +mp-727194,Ta3O8,-9.989777458,-3.1582463143,0.0265762128,0.0265762128,GGA,Pmma,A8B3_oP44_51_ae2f4i2j_2e2i:O-Ta,44.0,A8B3_oP44_51_ae2f4i2j_2e2i:O-Ta +mp-685006,Ta10O9,-10.1436115668,-1.5595076352,0.6531059099000001,0.6531059099000001,GGA,Cm,A9B10_mC38_8_9a_10a:O-Ta,19.0,A9B10_mC38_8_9a_10a:O-Ta +mp-1218065,Ta6O,-11.5165566236,-0.6460774105,0.021218738,0.021218738,GGA,C2/m,AB6_mC14_12_a_ij:O-Ta,14.0,"Invalid WP multiplicities - AB6_mC14_12_a_2ij:O-Ta, expected Ta8O to be Ta6O" +mp-29727,Ta4O,-11.190351314,-0.7147914678,0.2194231402,0.2194231402,GGA,P4/mmm,AB4_tP5_123_c_abh:O-Ta,5.0,AB4_tP5_123_c_abh:O-Ta +mp-979919,TaO3,-8.4835299288,-1.8090689878,1.110351662,1.110351662,GGA,P6_3/mmc,A3B_hP8_194_h_c:O-Ta,8.0,A3B_hP8_194_h_c:O-Ta +mp-1001011,TaO3,-9.4564535938,-2.7819926528,0.137427997,0.137427997,GGA,Im-3,A3B_cI32_204_g_c:O-Ta,16.0,A3B_cI32_204_g_c:O-Ta +mp-2630414,TaO3,-9.459650195,-2.7851892541,0.1342313958,0.1342313958,GGA,Pm-3m,A3B_cP4_221_c_b:O-Ta,16.0,A3B_cP4_221_c_b:O-Ta +mp-936295,Ta11O2,-1.8097792981,8.9847538829,9.7033805044,9.7033805044,GGA,P1,A2B11_aP26_1_4a_22a:O-Ta,26.0,A2B11_aP26_1_4a_22a:O-Ta +mp-673681,Ta11O2,-11.2957779308,-0.5012447498,0.2173818717,0.2173818717,GGA,P1,A2B11_aP26_1_4a_22a:O-Ta,26.0,A2B11_aP26_1_4a_22a:O-Ta +mp-1343930,Ta11O2,-3.2822756458,7.5122575352,8.2308841567,8.2308841567,GGA,P1,A2B11_aP26_1_4a_22a:O-Ta,26.0,A2B11_aP26_1_4a_22a:O-Ta +mp-726074,Ta2O7,-8.5891395394,-2.1066532907,0.4883872869,0.4883872869,GGA,Fd-3m,A7B2_cF72_227_af_d:O-Ta,18.0,A7B2_cF72_227_af_d:O-Ta +mp-27873,Ta2O,-9.33600482,0.2180765037,1.7751008503,1.7751008503,GGA,I-43m,AB2_cI24_217_c_abc:O-Ta,12.0,AB2_cI24_217_c_abc:O-Ta +mp-510,TaO2,-10.3089517348,-3.0585667173,0.0554819759,0.0554819759,GGA,I4_1/a,A2B_tI96_88_4f_2f:O-Ta,48.0,A2B_tI96_88_4f_2f:O-Ta +mp-683983,TaO2,-10.0062386527,-2.7558536352000003,0.358195058,0.358195058,GGA,I4_1/a,A2B_tI96_88_4f_2f:O-Ta,48.0,"Invalid WP multiplicities - A2B_tI96_88_23f_9f:O-Ta, expected Ta9O23 to be TaO2" +mp-20994,TaO2,-10.286952505,-3.0365674875,0.0774812057,0.0774812057,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Ta,6.0,A2B_tP6_136_f_a:O-Ta +mp-1186357,NpTaO3,-10.611471456,-2.6823467670000003,0.4130992662,0.4130992662,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Ta,5.0,AB3C_cP5_221_a_c_b:Np-O-Ta +mp-684958,TaO10,-6.1803081009,-0.6053385789,0.4562689302,0.4562689302,GGA,P1,A10B_aP11_1_10a_a:O-Ta,11.0,A10B_aP11_1_10a_a:O-Ta +mp-1895,TaO,-9.63489334,-1.2326601694,1.1028763505,1.1028763505,GGA,Fm-3m,AB_cF8_225_a_b:O-Ta,2.0,AB_cF8_225_a_b:O-Ta +mp-1097546,Y2MgOs,-3.9424643625,2.4976830642,2.6980261671,2.6980261671,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Os-Y,4.0,ABC2_oI8_71_a_b_e:Mg-Os-Y +mp-1190444,ErReB4,-7.8889453904,-0.6006432107,0.0021355275,0.0021355275,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Re,24.0,A4BC_oP24_55_4h_g_g:B-Er-Re +mp-1201657,Er2ReB6,-7.5117900978,-0.6610883833,0.0,-0.0389329051,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Er-Re,36.0,A6B2C_oP36_55_6h_2g_g:B-Er-Re +mp-2847,ErB4,-6.842885751,-0.5858285723000001,0.0,-0.142681638,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Er,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Er, expected ErB6 to be ErB4" +mp-570034,ErB4,-5.717735969,0.5393212097,1.125149782,0.982468144,GGA,P4/mbm,A4B_tP20_127_ehi_g:B-Er,20.0,"Invalid WP multiplicities - A4B_tP20_127_4e4h5i_g:B-Er, expected ErB18 to be ErB4" +mp-1104598,ErB12,-6.7684860554,-0.2515306662,0.0,-0.0262119845,GGA,Fm-3m,A12B_cF52_225_h_b:B-Er,13.0,A12B_cF52_225_h_b:B-Er +mp-1774,ErB2,-6.59761273,-0.6221119461,0.0,-0.1339214692,GGA,P6/mmm,A2B_hP3_191_c_b:B-Er,3.0,A2B_hP3_191_c_b:B-Er +mp-1296,ErB6,-6.7441718486,-0.3664476436,0.0641711866,0.0641711866,GGA,Pm-3m,A6B_cP7_221_e_b:B-Er,7.0,A6B_cP7_221_e_b:B-Er +mp-1191966,Er3ReB7,-7.275596722299999,-0.6480125395,0.0,-0.0205596898,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Er-Re,22.0,A7B3C_oC44_63_c3f_cf_c:B-Er-Re +mp-556584,Pm2O3,-8.67433229,-3.8061021342,0.0307621395,-3.8061021342,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Pm,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a6i_6i:O-Pm, expected Pm12O13 to be Pm2O3" +mp-547622,Pm2O3,-8.670065914,-3.8018357583,0.0350285155,-3.8018357583,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Pm,5.0,"Invalid WP multiplicities - A3B2_hP5_164_a2d_d:O-Pm, expected Pm2O5 to be Pm2O3" +mp-553921,Pm2O3,-8.7050944295,-3.8368642737,0.0,-3.8368642737,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Pm,40.0,A3B2_cI80_206_e_ad:O-Pm +mp-1245393,MgO2,-5.4951285542,-1.6639093967,0.3721174696,0.3721174696,GGA,P-1,AB2_aP12_2_2i_4i:Mg-O,12.0,"Invalid WP multiplicities - AB2_aP12_2_2i_7i:Mg-O, expected Mg2O7 to be MgO2" +mp-1096803,MgO2,-5.32724138,-1.4960222225,0.5400046437,0.5400046437,GGA,C2/m,AB2_mC6_12_a_i:Mg-O,3.0,AB2_mC6_12_a_i:Mg-O +mp-1180260,MgO2,-5.3294176967,-1.4981985392,0.5378283271000001,0.5378283271000001,GGA,C2/m,AB2_mC6_12_a_i:Mg-O,3.0,AB2_mC6_12_a_i:Mg-O +mp-1180271,MgO2,-5.78664713,-1.9554279725,0.0805988937,0.0805988937,GGA,R-3m,AB2_hR9_166_a_c:Mg-O,3.0,AB2_hR9_166_a_c:Mg-O +mp-2589,MgO2,-5.8528261633,-2.0216070058,0.0144198604,0.0144198604,GGA,Pa-3,AB2_cP12_205_a_c:Mg-O,12.0,AB2_cP12_205_a_c:Mg-O +mp-1186600,PmMgO3,-7.065885798,-2.8277080967,0.3123401599,0.3123401599,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Pm,5.0,AB3C_cP5_221_b_c_a:Mg-O-Pm +mp-1244962,MgO,-5.9982229669,-2.7247385863,0.3293017131,-1.2085333319,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245039,MgO,-6.0731800578,-2.7996956771,0.2543446222,-1.2834904227,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245045,MgO,-6.011831144,-2.7383467634,0.315693536,-1.222141509,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245128,MgO,-5.9819711311,-2.7084867505,0.3455535489,-1.1922814961,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245143,MgO,-5.9862170684,-2.7127326878,0.3413076116,-1.1965274334,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245157,MgO,-5.9792049085,-2.7057205279,0.3483197715,-1.1895152735,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245195,MgO,-5.9827875933,-2.7093032126,0.3447370867,-1.1930979583,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1245232,MgO,-6.0059261024,-2.7324417218,0.3215985776,-1.2162364674,GGA,P1,AB_aP80_1_40a_40a:Mg-O,80.0,AB_aP80_1_40a_40a:Mg-O +mp-1190649,MgO,-6.1739158846,-2.900431504,0.1536087954,-1.3842262496,GGA,Cm,AB_mC48_8_12a_12a:Mg-O,24.0,AB_mC48_8_12a_12a:Mg-O +mp-1191789,MgO,-6.1618694867,-2.8883851060000003,0.1656551933,-1.3721798517,GGA,C2/c,AB_mC48_15_3f_3f:Mg-O,24.0,AB_mC48_15_3f_3f:Mg-O +mp-1180312,MgO,-6.251956255,-2.9784718744000003,0.075568425,-1.46226662,GGA,Ibam,AB_oI32_72_2j_2j:Mg-O,16.0,AB_oI32_72_2j_2j:Mg-O +mp-1192043,MgO,-6.2643485021,-2.9908641215,0.0631761779,-1.4746588671,GGA,Ibam,AB_oI48_72_3j_3j:Mg-O,24.0,AB_oI48_72_3j_3j:Mg-O +mp-775808,MgO,-6.2416278058,-2.9681434252,0.0858968742,-1.4519381708,GGA,P3m1,AB_hP12_156_2a3bc_2a3bc:Mg-O,12.0,AB_hP12_156_2a3bc_2a3bc:Mg-O +mp-1180973,MgO,-6.26779615,-2.9943117694,0.05972853,-1.478106515,GGA,R-3m,AB_hR48_166_ab3c_4c:Mg-O,16.0,AB_hR48_166_ab3c_4c:Mg-O +mp-776911,MgO,-6.2360969612,-2.9626125806,0.0914277188,-1.4464073262,GGA,P6_3mc,AB_hP8_186_ab_ab:Mg-O,8.0,AB_hP8_186_a2b_a2b:Mg-O +mp-549706,MgO,-6.2533845975,-2.9799002169,0.0741400825,-1.4636949625,GGA,P6_3mc,AB_hP4_186_b_b:Mg-O,4.0,AB_hP4_186_b_b:Mg-O +mp-1009129,MgO,-5.990027825,-2.7165434444,0.337496855,-1.20033819,GGA,P-6m2,AB_hP2_187_a_d:Mg-O,2.0,AB_hP2_187_a_d:Mg-O +mp-1190533,MgO,-6.2144325504,-2.9409481698,0.1130921296,-1.4247429154,GGA,P6/mcc,AB_hP24_192_l_l:Mg-O,24.0,AB_hP24_192_l_l:Mg-O +mp-1065577,MgO,-6.29021626,-3.0167318794,0.03730842,-1.500526625,GGA,P6_3/mmc,AB_hP4_194_c_d:Mg-O,4.0,AB_hP4_194_c_d:Mg-O +mp-1192189,MgO,-6.2878003813,-3.0143160006,0.0397242987,-1.4981107463,GGA,P6_3/mmc,AB_hP24_194_ab2f_e2f:Mg-O,24.0,AB_hP24_194_ab2f_e2f:Mg-O +mp-1009127,MgO,-5.579086775,-2.3056023944,0.7484379050000001,-0.78939714,GGA,Pm-3m,AB_cP2_221_a_b:Mg-O,2.0,AB_cP2_221_a_b:Mg-O +mp-1101930,MgO,-6.19186672,-2.9183823394,0.13565796,-1.402177085,GGA,Pm-3n,AB_cP12_223_c_d:Mg-O,12.0,AB_cP12_223_c_d:Mg-O +mp-1265,MgO,-6.32752468,-3.0540402994,0.0,-1.537835045,GGA,Fm-3m,AB_cF8_225_a_b:Mg-O,2.0,AB_cF8_225_a_b:Mg-O +mp-866032,Dy(Ni2P)2,-6.3388683421,-0.8311628317,0.0,-0.0250249957,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Dy-Ni-P,14.0,AB4C2_tP14_136_a_i_f:Dy-Ni-P +mp-9850,DyP5,-5.8118698558,-0.5329866269,0.0040725703,0.0040725703,GGA,P2_1/m,AB5_mP12_11_e_e2f:Dy-P,12.0,AB5_mP12_11_e_e2f:Dy-P +mp-864836,Dy2Ni12P7,-6.3185146048,-0.7724035863000001,0.0,-0.0435245971,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Ni-P +mp-5227,Dy(NiP)2,-6.41395035,-1.0152173073,0.0,-0.0385686988,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Dy-Ni-P +mp-1102152,DyNiP,-6.4849225708,-1.2181805619,0.0,-0.0700729443,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Dy-Ni-P,12.0,ABC_hP12_194_ab_f_f:Dy-Ni-P +mp-1002223,DyP,-6.08089015,-1.0708454767,0.540332115,-0.7510535005000001,GGA,Pm-3m,AB_cP2_221_a_b:Dy-P,2.0,AB_cP2_221_a_b:Dy-P +mp-2014,DyP,-6.621222265,-1.6111775917,0.0,-1.2913856155,GGA,Fm-3m,AB_cF8_225_a_b:Dy-P,2.0,AB_cF8_225_a_b:Dy-P +mp-1213609,Dy8Ni18P11,-6.4011995423,-0.9838189333,0.0,-0.0163439841,GGA,P-6m2,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Dy-Ni-P,74.0,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Dy-Ni-P +mp-571637,K2Cd2Te3,-2.8491440756,-0.9210733479,0.0,-0.005322462,GGA,P2_1/c,A2B2C3_mP84_14_6e_6e_9e:Cd-K-Te,84.0,"Invalid WP multiplicities - A2B2C3_mP84_14_18e_23e_33e:Cd-K-Te, expected K23(Cd6Te11)3 to be K2Cd2Te3" +mp-18531,K2Cd3Te4,-2.8164347175,-0.8650246345,0.0001010013,0.0001010013,GGA,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Cd-K-Te,36.0,"Invalid WP multiplicities - A3B2C4_oP36_62_2c3d_ac_2cd:Cd-K-Te, expected K(Cd2Te)2 to be K2Cd3Te4" +mp-1184907,K3Cd,-1.0275339225,0.0359877278,0.0653482877,0.0653482877,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-K,4.0,AB3_tI8_139_a_bd:Cd-K +mp-982780,K3Cd,-1.0366718275,0.0268498228,0.0562103827,0.0562103827,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-K,4.0,AB3_cP4_221_a_c:Cd-K +mp-983062,K3Cd,-1.0354621225,0.0280595277,0.0574200877,0.0574200877,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-K,4.0,AB3_cF16_225_a_bc:Cd-K +mp-397,KCd13,-0.9808795914,-0.0445963181,0.0001435829,0.0001435829,GGA,Fm-3c,A13B_cF112_226_bi_a:Cd-K,28.0,A13B_cF112_226_bi_a:Cd-K +mp-17698,K6CdTe4,-2.9558589159,-1.1232673691,0.0,-0.0360908828,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Cd-K-Te,22.0,AB6C4_hP22_186_b_2c_bc:Cd-K-Te +mp-1184962,KCd3,-0.943538435,0.0262286218,0.1143103017,0.1143103017,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-K,4.0,A3B_cF16_225_ac_b:Cd-K +mp-1202778,K3Cd16,-1.0513952021,-0.0988987284,0.0,-0.0584551039,GGA,P4/nnc,A16B3_tP38_126_2k_ae:Cd-K,38.0,A16B3_tP38_126_2k_ae:Cd-K +mp-1215238,ZrScB24,-6.9455912342,-0.2076846098,0.0118143615,0.0118143615,GGA,R3m,A24BC_hR78_160_4b2c_a_a:B-Sc-Zr,,A24BC_hR78_160_4b2c_a_a:B-Sc-Zr +mp-1215212,ZrScB4,-6.8799477483,0.0530083881,0.9661065117,0.9661065117,GGA,F-43m,A4BC_cF24_216_e_a_c:B-Sc-Zr,6.0,A4BC_cF24_216_e_a_c:B-Sc-Zr +mp-1095882,TiV2Mo,-5.03034775,4.1968908167,4.2579630165,4.2579630165,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Ti-V,4.0,ABC2_oI8_71_a_b_e:Mo-Ti-V +mp-1216646,TiV,-8.37109186,0.1186071833,0.1186071833,0.1186071833,GGA,Cmmm,AB_oC4_65_a_c:Ti-V,2.0,AB_oC4_65_a_c:Ti-V +mp-1096187,Ti2VMo,-5.158001185,3.7721338683,3.8272117855,3.8272117855,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ti-V,4.0,AB2C_oI8_71_a_e_b:Mo-Ti-V +mp-1096250,TiVMo2,-5.5131275225,4.1545470542,4.2587086057,4.2587086057,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Ti-V,4.0,A2BC_oI8_71_e_a_b:Mo-Ti-V +mp-1217117,Ti4V,-8.03993382,0.0932410073,0.0932410073,0.0932410073,GGA,Fmmm,A4B_oF20_69_2g_a:Ti-V,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Ti-V, expected Ti6V to be Ti4V" +mp-32584,Ti19N25,-9.4157741011,-1.2697122502,0.3686094848,0.3686094848,GGA,R-3m,A25B19_hR132_166_a12c_b9c:N-Ti,44.0,"Invalid WP multiplicities - A25B19_hR132_166_a23c_b17c:N-Ti, expected Ti35N47 to be Ti19N25" +mp-1080194,Re3N5,-9.823899595,0.0531074275,0.1538086875,0.1538086875,GGA,Imm2,A5B3_oI16_44_a2c_bc:N-Re,8.0,A5B3_oI16_44_a2c_bc:N-Re +mp-980940,Ti3N,-7.7485449625,0.2571977812,1.3355250067,1.3355250067,GGA,I4/mmm,AB3_tI8_139_a_bd:N-Ti,4.0,AB3_tI8_139_a_bd:N-Ti +mp-980941,Ti3N,-7.739761635,0.2659811088,1.3443083342,1.3443083342,GGA,Pm-3m,AB3_cP4_221_a_c:N-Ti,4.0,AB3_cP4_221_a_c:N-Ti +mp-1077275,ReN2,-9.519471745,0.1863672667,0.2758794978,0.2758794978,GGA,Pm,A2B_mP6_6_3ab_ab:N-Re,6.0,A2B_mP6_6_3ab_ab:N-Re +mp-1019080,ReN2,-9.7209499333,-0.0151109217,0.0744013094,0.0744013094,GGA,Pc,A2B_mP6_7_2a_a:N-Re,6.0,A2B_mP6_7_2a_a:N-Re +mp-1077299,ReN2,-9.6863595967,0.019479415,0.1089916461,0.1089916461,GGA,Cm,A2B_mC12_8_4a_2a:N-Re,6.0,A2B_mC12_8_4a_2a:N-Re +mp-1019077,ReN2,-9.7409007783,-0.0350617667,0.0544504644,0.0544504644,GGA,P2_1/m,A2B_mP6_11_2e_e:N-Re,6.0,A2B_mP6_11_2e_e:N-Re +mp-1077354,ReN2,-9.7622002433,-0.0563612317,0.0331509994,0.0331509994,GGA,C2/m,A2B_mC12_12_2i_i:N-Re,6.0,A2B_mC12_12_2i_i:N-Re +mp-1019078,ReN2,-9.64376741,0.0620716017,0.1515838328,0.1515838328,GGA,P2/c,A2B_mP6_13_g_e:N-Re,6.0,A2B_mP6_13_g_e:N-Re +mp-1101901,ReN2,-9.6530967408,0.0527422708,0.1422545019,0.1422545019,GGA,Pbcm,A2B_oP12_57_e_c:N-Re,12.0,A2B_oP12_57_e_c:N-Re +mp-1102441,ReN2,-9.69936587,0.0064731417,0.0959853728,0.0959853728,GGA,Pnma,A2B_oP12_62_2c_c:N-Re,12.0,A2B_oP12_62_2c_c:N-Re +mp-1077096,ReN2,-9.6351252183,0.0707137933,0.1602260244,0.1602260244,GGA,Cmmm,A2B_oC12_65_gj_e:N-Re,6.0,A2B_oC12_65_gj_e:N-Re +mp-1071531,ReN2,-9.6756015233,0.0302374883,0.1197497194,0.1197497194,GGA,Immm,A2B_oI12_71_2e_f:N-Re,6.0,A2B_oI12_71_2e_f:N-Re +mp-1019055,ReN2,-9.29229595,0.4135430617,0.5030552928,0.5030552928,GGA,P4/mbm,A2B_tP6_127_g_b:N-Re,6.0,A2B_tP6_127_g_b:N-Re +mp-1008798,ReN2,-9.5558313167,0.150007695,0.2395199261,0.2395199261,GGA,P-6m2,A2B_hP3_187_h_a:N-Re,3.0,A2B_hP3_187_h_a:N-Re +mp-1019083,ReN2,-9.5616643667,0.144174645,0.2336868761,0.2336868761,GGA,P6_3/mmc,A2B_hP6_194_e_c:N-Re,6.0,A2B_hP6_194_e_c:N-Re +mp-1103420,ReN2,-9.2512806267,0.454558385,0.5440706161000001,0.5440706161000001,GGA,Pa-3,A2B_cP12_205_c_a:N-Re,12.0,A2B_cP12_205_c_a:N-Re +mp-1080172,TiN2,-9.1782786417,-0.9887846861,0.2758847233,0.2758847233,GGA,I4/mcm,A2B_tI12_140_h_a:N-Ti,6.0,A2B_tI12_140_h_a:N-Ti +mp-1080201,Re3N4,-10.0991763429,-0.0020961636,0.1129909907,0.1129909907,GGA,Pnma,A4B3_oP28_62_2cd_a2c:N-Re,28.0,A4B3_oP28_62_2cd_a2c:N-Re +mp-33046,TiN,-9.9385158289,-1.822522358,0.0744817561,-0.2662216368,GGA,R3m,AB_hR132_160_22a_22a:N-Ti,44.0,AB_hR132_160_22a_22a:N-Ti +mp-998908,TiN,-9.711122965,-1.5951294942,0.30187462,-0.0388287729,GGA,F-43m,AB_cF8_216_a_c:N-Ti,2.0,AB_cF8_216_a_c:N-Ti +mp-998903,TiN,-9.12272674,-1.0067332692,0.8902708450000001,0.5495674521,GGA,Pm-3m,AB_cP2_221_a_b:N-Ti,2.0,AB_cP2_221_a_b:N-Ti +mp-492,TiN,-10.012997585,-1.8970041142,0.0,-0.3407033929,GGA,Fm-3m,AB_cF8_225_a_b:N-Ti,2.0,AB_cF8_225_a_b:N-Ti +mp-1187591,Ti3N2,-9.677020021,-1.605126841,0.016336585,0.016336585,GGA,R-3c,A2B3_hR30_167_c_e:N-Ti,10.0,A2B3_hR30_167_c_e:N-Ti +mp-1246153,Ti3N2,-9.557293625,-1.485400445,0.136062981,0.136062981,GGA,P6_3/mmc,A2B3_hP10_194_f_af:N-Ti,10.0,A2B3_hP10_194_f_af:N-Ti +mp-974435,Re3N,-11.53934441,-0.12182529,0.0,-0.0546911167,GGA,P-6m2,AB3_hP4_187_a_bh:N-Re,4.0,AB3_hP4_187_a_bh:N-Re +mp-1080192,Ti3N4,-9.6689186,-1.5214249214,0.104578605,0.104578605,GGA,Pnma,A4B3_oP28_62_4c_3c:N-Ti,28.0,A4B3_oP28_62_4c_3c:N-Ti +mp-1217167,Ti3N4,-9.6231291014,-1.4756354229,0.1503681036,0.1503681036,GGA,I4/mmm,A4B3_tI14_139_ce_ad:N-Ti,7.0,"Invalid WP multiplicities - A4B3_tI14_139_2c2e_a2d:N-Ti, expected Ti5N8 to be Ti3N4" +mp-1080190,Ti3N4,-9.6510951614,-1.5036014829000002,0.1224020436,0.1224020436,GGA,P31c,A4B3_hP28_159_ab2c_2c:N-Ti,28.0,A4B3_hP28_159_ab2c_2c:N-Ti +mp-8282,Ti2N,-9.48026262,-1.4377696339,0.0,-0.0851340224,GGA,P4_2/mnm,AB2_tP6_136_a_f:N-Ti,6.0,AB2_tP6_136_a_f:N-Ti +mp-7790,Ti2N,-9.4656394917,-1.4231465056,0.0146231283,-0.0705108941,GGA,I4_1/amd,AB2_tI12_141_a_e:N-Ti,6.0,AB2_tI12_141_a_e:N-Ti +mp-999264,ReN,-10.157754175,0.23275688,0.3670252267,0.315303735,GGA,P4_2/mmc,AB_tP4_131_e_c:N-Re,4.0,AB_tP4_131_e_c:N-Re +mp-1009646,ReN,-9.90852596,0.481985095,0.6162534417000001,0.56453195,GGA,P-6m2,AB_hP2_187_a_d:N-Re,2.0,AB_hP2_187_a_d:N-Re +mp-999266,ReN,-10.1502695875,0.2402414675,0.3745098142,0.3227883225,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Re,4.0,AB_hP4_194_c_a:N-Re +mp-1002209,ReN,-10.07473808,0.315772975,0.4500413217,0.39831983,GGA,F-43m,AB_cF8_216_a_c:N-Re,2.0,AB_cF8_216_a_c:N-Re +mp-1019052,ReN,-10.5247794017,-0.1342683467,0.0,-0.0517214917,GGA,Pm-3m,AB_cP6_221_c_d:N-Re,6.0,AB_cP6_221_c_d:N-Re +mp-1002207,ReN,-9.391563665,0.99894739,1.1332157367,1.081494245,GGA,Pm-3m,AB_cP2_221_a_b:N-Re,2.0,AB_cP2_221_a_b:N-Re +mp-1009694,ReN,-9.51898559,0.871525465,1.0057938117,0.95407232,GGA,Fm-3m,AB_cF8_225_a_b:N-Re,2.0,AB_cF8_225_a_b:N-Re +mp-1018948,Re2N,-11.1583494867,-0.0831663883,0.0428065872,0.0428065872,GGA,P6_3/mmc,AB2_hP6_194_c_f:N-Re,6.0,AB2_hP6_194_c_f:N-Re +mp-1217048,Ti8N5,-9.6258419177,-1.5607333978,0.0183391531,0.0183391531,GGA,P-4m2,A5B8_tP13_115_abcg_ef2g:N-Ti,13.0,"Invalid WP multiplicities - A5B8_tP13_115_abcg_2e2f4g:N-Ti, expected Ti16N5 to be Ti8N5" +mp-996940,TiReN3,-9.801000126,-0.7310993307,0.0814096537,0.0814096537,GGA,R3c,A3BC_hR30_161_b_a_a:N-Re-Ti,10.0,A3BC_hR30_161_b_a_a:N-Re-Ti +mp-1194386,Yb(SbS2)2,-4.8098392246,-1.0464949064,0.06101407,0.06101407,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:S-Sb-Yb,,A4B2C_oP28_62_4c_2c_c:S-Sb-Yb +mp-1216419,Yb16Sb8S45,-4.7727140126,-1.2392939197,0.1348376302,0.1348376302,GGA,C2/m,A45B8C16_mC138_12_ah3i9j_2ij_4j:S-Sb-Yb,,"Invalid WP multiplicities - A45B8C16_mC138_12_ah4i25j_3ij_12j:S-Sb-Yb, expected Yb48Sb10S111 to be Yb16Sb8S45" +mp-1102028,YbSbS,-4.7509778725,-1.4826247435,0.1830545575,0.1830545575,GGA,Pnma,ABC_oP12_62_c_c_c:S-Sb-Yb,,ABC_oP12_62_c_c_c:S-Sb-Yb +mp-1199349,Yb3Sb4S9,-4.8938673558,-1.2461874432,0.0351977802,0.0351977802,GGA,Pnma,A9B4C3_oP64_62_9c_4c_3c:S-Sb-Yb,,A9B4C3_oP64_62_9c_4c_3c:S-Sb-Yb +mp-1193856,Zr21S8,-8.2852023003,-0.9543984326,0.0964603089,0.0964603089,GGA,I4/m,A8B21_tI58_87_2h_a5h:S-Zr,29.0,A8B21_tI58_87_2h_a5h:S-Zr +mp-1215375,Zr5S8,-7.5959812854,-1.7628965096,0.0927111041,0.0927111041,GGA,F-43m,A8B5_cF52_216_2e_ae:S-Zr,13.0,A8B5_cF52_216_2e_ae:S-Zr +mp-9921,ZrS3,-6.8147069575,-1.5754443998,0.0,-0.1887389633,GGA,P2_1/m,A3B_mP8_11_3e_e:S-Zr,8.0,A3B_mP8_11_3e_e:S-Zr +mp-1215215,ZrSeS,-7.1380666167,-1.7447126252,0.0015382833,0.0015382833,GGA,P3m1,ABC_hP3_156_a_b_c:S-Se-Zr,3.0,ABC_hP3_156_a_b_c:S-Se-Zr +mp-1219328,SeS7,-4.4704411317,-0.4140585634,0.0,-0.4140585634,GGA,P1,A7B_aP24_1_21a_3a:S-Se,24.0,A7B_aP24_1_21a_3a:S-Se +mp-2559,SeS,-3.667857435,0.1483232373,0.3849281307,0.3849281307,GGA,Fm-3m,AB_cF8_225_a_b:S-Se,2.0,AB_cF8_225_a_b:S-Se +mp-1188005,Zr3S,-7.78378369,-0.3388957508,0.6157795334,0.6157795334,GGA,Pm-3m,AB3_cP4_221_a_c:S-Zr,4.0,AB3_cP4_221_a_c:S-Zr +mp-1100827,Zr40S27,-8.0625816497,-1.2925492377,0.1477545252,0.1477545252,GGA,P3m1,A27B40_hP67_156_27a_40b:S-Zr,67.0,A27B40_hP67_156_27a_40b:S-Zr +mp-1197374,Zr2S,-8.3418834667,-1.2645997577,0.0,-0.0949592206,GGA,Pnnm,AB2_oP36_58_3g_6g:S-Zr,36.0,AB2_oP36_58_3g_6g:S-Zr +mp-1096929,Zr64S127,-7.4361726099,-1.8216073041,0.0275601665,0.0275601665,GGA,P3m1,A127B64_hP191_156_3a4b24d8e_4c12d4e:S-Zr,191.0,"Invalid WP multiplicities - A127B64_hP191_156_3a4b72d48e_4c36d24e:S-Zr, expected Zr256S511 to be Zr64S127" +mp-27191,Zr9S2,-8.4467557516,-0.7011007149,0.0,-0.0113190289,GGA,I4_1/amd,A2B9_tI88_141_g_ef3h:S-Zr,44.0,A2B9_tI88_141_g_ef3h:S-Zr +mp-1215419,Zr3S2,-8.042021648,-1.2588213232,0.173952268,0.173952268,GGA,R32,A2B3_hR15_155_c_d:S-Zr,5.0,A2B3_hR15_155_c_d:S-Zr +mp-1215597,Zr2(SeS)3,-6.4623773012,-1.4633166396,0.0254516388,0.0254516388,GGA,Pm,A3B3C2_mP8_6_2ab_a2b_ab:S-Se-Zr,8.0,A3B3C2_mP8_6_2ab_a2b_ab:S-Se-Zr +mp-1186,ZrS2,-7.45580737,-1.8489405821,0.0,-0.0318410676,GGA,P-3m1,A2B_hP3_164_d_a:S-Zr,3.0,A2B_hP3_164_d_a:S-Zr +mp-673649,Zr23S32,-7.816495340899999,-1.8353406095,0.0246308796,0.0246308796,GGA,P1,A32B23_aP55_1_32a_23a:S-Zr,55.0,A32B23_aP55_1_32a_23a:S-Zr +mp-684749,Zr3S4,-7.8883081205,-1.8613222123,0.0,-0.0450681131,GGA,P-1,A4B3_aP56_2_16i_abcdfg9i:S-Zr,56.0,"Invalid WP multiplicities - A4B3_aP56_2_30i_abcdfg16i:S-Zr, expected Zr19S30 to be Zr3S4" +mp-1329763,Zr3S4,-7.3383508038,-1.3113648955,0.5499573168,0.5048892037,GGA,P-1,A4B3_aP56_2_16i_abcefh9i:S-Zr,56.0,"Invalid WP multiplicities - A4B3_aP56_2_30i_abcefh16i:S-Zr, expected Zr19S30 to be Zr3S4" +mp-684711,Zr3S4,-7.2049732551,-1.1779873469,0.6833348654,0.6382667523000001,GGA,C2/m,A4B3_mC70_12_10i_a7i:S-Zr,35.0,"Invalid WP multiplicities - A4B3_mC70_12_19i_a13i:S-Zr, expected Zr27S38 to be Zr3S4" +mp-1215543,Zr3S4,-7.8785372414,-1.8515513332,0.0097708791,-0.035297234,GGA,Cmmm,A4B3_oC14_65_gj_af:S-Zr,7.0,A4B3_oC14_65_gj_af:S-Zr +mp-1103820,Zr3S4,-7.60075955,-1.5737736418,0.2875485705,0.2424804575,GGA,Fd-3m,A4B3_cF56_227_e_ad:S-Zr,14.0,A4B3_cF56_227_e_ad:S-Zr +mp-1024087,Zr63S128,-7.3995536872,-1.8080839351,0.0294013095,0.0294013095,GGA,P-3m1,A128B63_hP191_164_4d12i4j_acefgh5ij:S-Zr,191.0,"Invalid WP multiplicities - A128B63_hP191_164_8d72i48j_a2c3e3f6g6h30i12j:S-Zr, expected Zr419S1024 to be Zr63S128" +mp-7859,ZrS,-8.02710959,-1.6850343416,0.0,-0.0027288656,GGA,P4/nmm,AB_tP4_129_c_c:S-Zr,4.0,AB_tP4_129_c_c:S-Zr +mp-1925,ZrS,-7.936335525,-1.5942602766,0.090774065,0.0880451994,GGA,Fm-3m,AB_cF8_225_a_b:S-Zr,2.0,AB_cF8_225_a_b:S-Zr +mp-1204458,Tm15C19,-7.4849590732,-0.353130376,0.0095260795,0.0095260795,GGA,P4/mnc,A19B15_tP68_128_aeghi_behi:C-Tm,68.0,"Invalid WP multiplicities - A19B15_tP68_128_aegh2i_behi:C-Tm, expected Tm5C9 to be Tm15C19" +mp-1216546,Tm2C,-6.4017447233,-0.3416326103,0.0,-0.1293974511,GGA,R-3m,AB2_hR9_166_a_c:C-Tm,3.0,AB2_hR9_166_a_c:C-Tm +mp-1205180,Tm3C4,-7.5555700214,-0.3638317014,0.0,-0.0171839836,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Tm,70.0,A4B3_tP70_128_2eghi_aehi:C-Tm +mp-973155,Ge3C,-4.3882015138,1.3862357506,1.3862357506,1.3862357506,GGA,P6_3/mmc,AB3_hP8_194_c_h:C-Ge,8.0,AB3_hP8_194_c_h:C-Ge +mp-1188096,Tm5Ge3C,-5.7931182683,-0.7401264712000001,0.0,-0.0060158414,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Tm,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Tm +mp-269,TmC2,-7.84203822,-0.1976494172,0.0894984385,0.0894984385,GGA,I4/mmm,A2B_tI6_139_e_a:C-Tm,3.0,A2B_tI6_139_e_a:C-Tm +mp-1207978,Tm4C7,-7.8136158555,-0.3132522063,0.0,-0.0045465202,GGA,P2_1/c,A7B4_mP22_14_a3e_2e:C-Tm,22.0,A7B4_mP22_14_a3e_2e:C-Tm +mp-1184550,GeC,-6.4826989600000005,0.4431477138,0.4431477138,0.4431477138,GGA,P6_3mc,AB_hP4_186_b_b:C-Ge,4.0,AB_hP4_186_b_b:C-Ge +mp-1002164,GeC,-6.487473345,0.4383733288,0.4383733288,0.4383733288,GGA,F-43m,AB_cF8_216_a_c:C-Ge,2.0,AB_cF8_216_a_c:C-Ge +mp-1002165,GeC,-5.65405539,1.2717912837,1.2717912837,1.2717912837,GGA,Fm-3m,AB_cF8_225_a_b:C-Ge,2.0,AB_cF8_225_a_b:C-Ge +mp-9545,Tm2C3,-7.6017862545,-0.2742527897,0.0673239339,0.0673239339,GGA,I-43d,A3B2_cI40_220_d_c:C-Tm,20.0,A3B2_cI40_220_d_c:C-Tm +mp-631523,TcNiW,-9.0442268367,0.6554084483,0.7317725344,0.7317725344,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Tc-W,3.0,ABC_cF12_216_a_b_c:Ni-Tc-W +mp-30811,Ni4W,-7.32360126,-0.10786587,0.0,-0.10786587,GGA,I4/m,A4B_tI10_87_h_a:Ni-W,5.0,A4B_tI10_87_h_a:Ni-W +mp-866003,ErI3,-3.9123592788,-1.6654048138,0.0,-1.0101577963,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-I,8.0,AB3_hP8_194_c_h:Er-I +mp-541637,Er4I5,-4.0135176967,-1.1648835867,0.0687496087,0.0687496087,GGA,C2/m,A4B5_mC18_12_2i_a2i:Er-I,9.0,A4B5_mC18_12_2i_a2i:Er-I +mp-571122,FeI2,-4.1925488733,-0.3869642367,0.0,-0.3869642367,GGA,P-3m1,AB2_hP3_164_a_d:Fe-I,3.0,AB2_hP3_164_a_d:Fe-I +mp-1106187,Er7FeI12,-4.32574837,-1.419525916,0.0,-0.0781363534,GGA,R-3,A7BC12_hR60_148_af_b_2f:Er-Fe-I,20.0,A7BC12_hR60_148_af_b_2f:Er-Fe-I +mp-571258,Er6I7,-4.0144358338,-1.11290681,0.0827684409,0.0827684409,GGA,C2/m,A6B7_mC26_12_3i_a3i:Er-I,13.0,"Invalid WP multiplicities - A6B7_mC26_12_6i_a5i:Er-I, expected Er12I11 to be Er6I7" +mp-684949,Ca2F,-3.9580456607,-1.9838194182,0.1283211293,0.1283211293,GGA,Cm,A2B_mC30_8_10a_5a:Ca-F,15.0,A2B_mC30_8_10a_5a:Ca-F +mp-560030,CaF2,-5.984803265,-4.04195066,0.182330435,-1.0902736525,GGA,Pmc2_1,AB2_oP6_26_a_ab:Ca-F,6.0,"Invalid WP multiplicities - AB2_oP6_26_a_a2b:Ca-F, expected CaF3 to be CaF2" +mp-10464,CaF2,-6.114972955,-4.17212035,0.052160745,-1.2204433425,GGA,Pnma,AB2_oP12_62_c_2c:Ca-F,12.0,AB2_oP12_62_c_2c:Ca-F +mp-554355,CaF2,-5.92688224,-3.984029635,0.24025146,-1.0323526275,GGA,P4/mmm,AB2_tP3_123_a_e:Ca-F,3.0,AB2_tP3_123_a_e:Ca-F +mp-2741,CaF2,-6.1671337,-4.224281095,0.0,-1.2726040875,GGA,Fm-3m,AB2_cF12_225_a_c:Ca-F,3.0,AB2_cF12_225_a_c:Ca-F +mp-939867,Ca2YbF7,-2.3434954994,-0.4503794182,3.4505443776,3.4505443776,GGA,P1,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb,,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb +mp-677126,Ca2YbF7,-5.7594214052,-3.866305324,0.0346184718,0.0346184718,GGA,P1,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb,,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb +mp-1350654,Ca2YbF7,-3.3228833334,-1.4297672522,2.4711565436000003,2.4711565436000003,GGA,P1,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb,,A2B7C_aP50_1_10a_35a_5a:Ca-F-Yb +mp-1183590,CaF3,-4.9611459700000005,-3.0261367744,0.1420740469,0.1420740469,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-F,4.0,AB3_tI8_139_a_bd:Ca-F +mp-1183589,CaF3,-4.9551594987000005,-3.0201503031,0.1480605181,0.1480605181,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-F,8.0,AB3_hP8_194_c_h:Ca-F +mp-1183545,CaF,-4.7612968975,-2.8027574738,0.3654533475,0.3654533475,GGA,P6_3mc,AB_hP4_186_b_b:Ca-F,4.0,AB_hP4_186_b_b:Ca-F +mp-980067,YHoCu2,-5.0599786225,-0.2481552917,0.014515755,0.014515755,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ho-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Ho-Y +mp-1206875,La2Rh2I,-6.229525967,-1.014726707,0.015686837,0.015686837,GGA,P6_3/mmc,AB2C2_hP10_194_c_e_f:I-La-Rh,10.0,AB2C2_hP10_194_c_e_f:I-La-Rh +mp-862601,RhI2,-3.8258971683,-0.388883645,0.1486646594,0.1486646594,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Rh,6.0,A2B_tP6_136_f_a:I-Rh +mp-975142,RhI,-4.2607295425,0.1581075675,0.5612687958,0.5612687958,GGA,P6_3mc,AB_hP4_186_b_b:I-Rh,4.0,AB_hP4_186_b_b:I-Rh +mp-1206891,RhI3,-3.5508435725,-0.6047418425000001,0.0,-0.3130791087,GGA,C2/m,A3B_mC16_12_ij_g:I-Rh,8.0,A3B_mC16_12_ij_g:I-Rh +mp-1187782,Y3Bi,-6.15032135,-0.3403457325,0.1564912676,0.1564912676,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Y,8.0,AB3_hP8_194_c_h:Bi-Y +mp-1187735,Y3Bi,-6.1580936825,-0.348118065,0.1487189351,0.1487189351,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Y,4.0,AB3_cP4_221_a_c:Bi-Y +mp-1205904,Y6MnBi2,-6.6272669278,-0.4448424575,0.0,-0.0030111629,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Mn-Y,9.0,A2BC6_hP9_189_c_b_fg:Bi-Mn-Y +mp-23241,YBi,-6.06803514,-0.9145550183,0.0,-0.2891477527,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Y,2.0,AB_cF8_225_a_b:Bi-Y +mp-1187819,YBi3,-4.8826954225,-0.3857107967,0.0715667125,0.0715667125,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Y,4.0,A3B_tI8_139_ad_b:Bi-Y +mp-1187824,YBi3,-4.8814273062,-0.3844426804,0.0728348288,0.0728348288,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Y,8.0,A3B_hP8_194_h_c:Bi-Y +mp-22508,YMn12,-8.9563140331,-0.0016482932,0.0,-0.0016482932,GGA,I4/mmm,A12B_tI26_139_fij_a:Mn-Y,13.0,"Invalid WP multiplicities - A12B_tI26_139_2fij_a:Mn-Y, expected YMn16 to be YMn12" +mp-624187,Y5Bi3,-6.2269833697,-0.7452555001000001,0.0,-0.0593392364,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Y,32.0,A3B5_oP32_62_cd_3cd:Bi-Y +mp-1178792,Y5Bi3,-6.2194982178,-0.7377703482,0.0074851519,-0.0518540845,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Y,32.0,A3B5_oP32_62_cd_3cd:Bi-Y +mp-1355,Y6Mn23,-8.5078717803,0.0964447161,0.0978609221,0.0978609221,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Y,29.0,A23B6_cF116_225_ad2f_e:Mn-Y +mp-1103127,YMn2,-8.1587617133,0.1047388525,0.1059292865,0.1059292865,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Y,12.0,A2B_hP12_194_ah_f:Mn-Y +mp-1062072,YMn2,-7.5119173533,0.7515832125,0.7527736465,0.7527736465,GGA,F-43m,A2B_cF12_216_ac_b:Mn-Y,3.0,A2B_cF12_216_ac_b:Mn-Y +mp-558,YMn2,-8.10274816,0.1607524058,0.1619428398,0.1619428398,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-Y,6.0,A2B_cF24_227_c_b:Mn-Y +mp-1097260,Y2PdRh,-4.75443229,1.6148506867,2.4960554438,2.4960554438,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Pd-Rh-Y +mp-1187751,Y2PdRh,-7.232935075,-0.8636520983,0.0175526587,0.0175526587,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Y,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Y +mp-866173,Y2RuRh,-7.9774849275,-0.5845717683,0.0028095791,0.0028095791,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Rh-Ru-Y +mp-632656,HoH3,-4.4239906792,-0.7338439279000001,0.0,-0.1288519854,GGA,P-3c1,A3B_hP24_165_adg_f:H-Ho,24.0,A3B_hP24_165_adg_f:H-Ho +mp-24152,HoH2,-4.59594291,-0.8066559233,0.0,-0.1543502096,GGA,Fm-3m,A2B_cF12_225_c_a:H-Ho,3.0,A2B_cF12_225_c_a:H-Ho +mp-1212422,Ho2Fe17H3,-7.5118251577,-0.087581683,0.0850775517,0.0850775517,GGA,P6_3/mmc,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Ho,44.0,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Ho +mp-1079467,YAu3,-4.7851963788,-0.7131671004,0.0,-0.0670371312,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Y,8.0,A3B_oP8_59_ae_b:Au-Y +mp-1018113,YAu2,-5.1995849967,-0.8615066256,0.0,-0.0908363158,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Y,3.0,A2B_tI6_139_e_a:Au-Y +mp-979911,Y2Au,-6.0489189642,-0.6466442219,0.0,-0.0547803219,GGA,Pnma,AB2_oP12_62_c_2c:Au-Y,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_5c:Au-Y, expected Y5Au to be Y2Au" +mp-1080493,Y3Au2,-5.8996721480000005,-0.7102366800000001,0.0320205445,0.0320205445,GGA,P4/mbm,A2B3_tP10_127_g_ah:Au-Y,10.0,A2B3_tP10_127_g_ah:Au-Y +mp-10098,YGeAu,-5.6248338,-0.8370401439,0.0,-0.0857613417,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Y,6.0,ABC_hP6_186_b_b_a:Au-Ge-Y +mp-1066254,YAu,-5.755853285,-0.8856767283,0.0,-0.1187138188,GGA,Cmcm,AB_oC8_63_c_c:Au-Y,4.0,AB_oC8_63_c_c:Au-Y +mp-11261,YAu,-5.734805535,-0.8646289783000001,0.02104775,-0.0976660688,GGA,Pm-3m,AB_cP2_221_a_b:Au-Y,2.0,AB_cP2_221_a_b:Au-Y +mp-11219,LuB2,-6.65144767,-0.6915363161,0.0,-0.2270568521,GGA,P6/mmm,A2B_hP3_191_c_b:B-Lu,3.0,A2B_hP3_191_c_b:B-Lu +mp-1201869,Lu2ReB6,-7.5326416089,-0.6923328478,0.0,-0.0886920361,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Lu-Re,36.0,A6B2C_oP36_55_6h_2g_g:B-Lu-Re +mp-1104289,LuB12,-6.7597229023,-0.2463650738,0.0,-0.0319899366,GGA,Fm-3m,A12B_cF52_225_h_b:B-Lu,13.0,A12B_cF52_225_h_b:B-Lu +mp-12660,LuB6,-6.6810181171,-0.3099750964,0.103002629,0.103002629,GGA,Pm-3m,A6B_cP7_221_e_b:B-Lu,7.0,A6B_cP7_221_e_b:B-Lu +mp-571495,LuB4,-6.8050788775,-0.5573753568,0.0,-0.0973280867,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Lu,20.0,"Invalid WP multiplicities - A4B_tP20_127_2e4g6i_h:B-Lu, expected LuB18 to be LuB4" +mp-10140,Sc3TlB,-5.9645001660000005,-0.3566117195,0.0339477402,0.0339477402,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Sc-Tl,5.0,AB3C_cP5_221_b_c_a:B-Sc-Tl +mp-1187526,Tl3B,-2.4410541500000003,1.0007761527,1.0007761527,1.0007761527,GGA,Pm-3m,AB3_cP4_221_a_c:B-Tl,4.0,AB3_cP4_221_a_c:B-Tl +mp-1187632,Tl3B,-2.459533645,0.9822966577,0.9822966577,0.9822966577,GGA,Fm-3m,AB3_cF16_225_a_bc:B-Tl,4.0,AB3_cF16_225_a_bc:B-Tl +mp-1213140,ErB7Mo3,-8.1893475411,-0.5656737652,0.0,-0.0086696777,GGA,Pnma,A7BC3_oP44_62_7c_c_3c:B-Er-Mo,44.0,A7BC3_oP44_62_7c_c_3c:B-Er-Mo +mp-5426,ErB3Mo,-7.730199435,-0.6398905885,0.0,-0.0626042847,GGA,P2_1/m,A3BC_mP10_11_3e_e_e:B-Er-Mo,10.0,A3BC_mP10_11_3e_e_e:B-Er-Mo +mp-1190816,ErB4Mo,-7.6597247438,-0.6379020765,0.0,-0.0357060774,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Mo,24.0,A4BC_oP24_55_4h_g_g:B-Er-Mo +mp-27331,K3GeTe3,-3.4675198329,-0.984070922,0.0,-0.0842324657,GGA,C2/c,AB3C3_mC56_15_f_2e2f_3f:Ge-K-Te,28.0,AB3C3_mC56_15_f_2e2f_3f:Ge-K-Te +mp-27800,K4Ge23,-4.1856488356,-0.0830104484,0.0004955814,0.0004955814,GGA,Pm-3n,A23B4_cP54_223_cik_ad:Ge-K,54.0,A23B4_cP54_223_cik_ad:Ge-K +mp-1201758,KGe,-3.0699419147,-0.2032285137,0.0094016623,-0.1534933047,GGA,I4_1/acd,AB_tI64_142_g_ef:Ge-K,32.0,AB_tI64_142_g_ef:Ge-K +mp-2146,KGe,-3.079343577,-0.212630176,0.0,-0.1628949671,GGA,P-43n,AB_cP64_218_ei_ei:Ge-K,64.0,"Invalid WP multiplicities - AB_cP64_218_ei_2e3i:Ge-K, expected K11Ge4 to be KGe" +mp-1059264,KGe,-2.09209547,0.7746179310000001,0.987248107,0.8243531399,GGA,Fm-3m,AB_cF8_225_a_b:Ge-K,2.0,AB_cF8_225_a_b:Ge-K +mp-28126,K2GeTe4,-3.5639855729,-0.7901213840000001,0.0,-0.0204175186,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ge-K-Te,28.0,AB2C4_mP28_14_e_2e_4e:Ge-K-Te +mp-1196998,K3Ge17,-4.180683374,-0.0845498552,0.0,-0.0008571977,GGA,Fd-3m,A17B3_cF160_227_aeg_bc:Ge-K,40.0,A17B3_cF160_227_aeg_bc:Ge-K +mp-1184854,K3Ge,-1.85736251,0.131193664,0.237508752,0.237508752,GGA,Fm-3m,AB3_cF16_225_a_bc:Ge-K,4.0,AB3_cF16_225_a_bc:Ge-K +mp-1079405,MnPRh,-7.8507745867,-0.5375660304000001,0.0915291411,0.0915291411,GGA,P-62m,ABC_hP9_189_f_ad_g:Mn-P-Rh,9.0,ABC_hP9_189_f_ad_g:Mn-P-Rh +mp-1864,LaP5,-5.9001610413000005,-0.5664077682,0.0,-0.0003102683,GGA,P2_1/m,AB5_mP24_11_2e_2e4f:La-P,24.0,"Invalid WP multiplicities - AB5_mP24_11_3e_4e10f:La-P, expected LaP8 to be LaP5" +mp-1185167,LaP5,-5.89977337,-0.5660200969,0.0003876713,7.7403e-05,GGA,P2_1/m,AB5_mP24_11_2e_2e4f:La-P,24.0,AB5_mP24_11_2e_2e4f:La-P +mp-2804,LaP2,-6.3608100687,-1.1066060293,0.0,-0.0392692406,GGA,Cc,AB2_mC48_9_4a_8a:La-P,24.0,AB2_mC48_9_4a_8a:La-P +mp-2384,LaP,-6.742920615,-1.5682658092,0.0,-0.7383112872,GGA,Fm-3m,AB_cF8_225_a_b:La-P,2.0,AB_cF8_225_a_b:La-P +mp-12919,LaPIr,-7.59380272,-1.1978881228,0.0,-0.0892286844,GGA,I4_1md,ABC_tI12_109_a_a_a:Ir-La-P,6.0,ABC_tI12_109_a_a_a:Ir-La-P +mp-1204383,La5P12Ir19,-7.9432105439,-0.7884906821000001,0.0,-0.0482989253,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Ir-La-P,36.0,A19B5C12_hP36_189_afgjk_cg_2fk:Ir-La-P +mp-973065,LaP3,-5.6803430975,-0.3863644413,0.4501424575,0.4501424575,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-P,8.0,AB3_hP8_194_c_h:La-P +mp-200,LaP7,-5.7846109491,-0.4309703676,0.0,-0.0061645415,GGA,P2_1/c,AB7_mP32_14_e_7e:La-P,32.0,AB7_mP32_14_e_7e:La-P +mp-21182,Sc3P2,-7.224402439,-1.2595999733,0.021035978,-0.0372925652,GGA,Pnma,A2B3_oP20_62_2c_3c:P-Sc,20.0,A2B3_oP20_62_2c_3c:P-Sc +mp-22600,Sc3P2,-7.245438417,-1.2806359513,0.0,-0.0583285432,GGA,Pnma,A2B3_oP20_62_2c_3c:P-Sc,20.0,A2B3_oP20_62_2c_3c:P-Sc +mp-1190950,Sc2Mn12P7,-8.3632012262,-0.7202374518,0.0,-0.069209642,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Sc,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Sc +mp-1009746,ScP,-6.832525915,-0.9596401092,0.531236785,0.1075565169,GGA,F-43m,AB_cF8_216_a_c:P-Sc,2.0,AB_cF8_216_a_c:P-Sc +mp-16728,ScP,-6.805306015,-0.9324202092,0.558456685,0.1347764169,GGA,Pm-3m,AB_cP2_221_a_b:P-Sc,2.0,AB_cP2_221_a_b:P-Sc +mp-2807,ScP,-7.3637627,-1.4908768942,0.0,-0.4236802681,GGA,Fm-3m,AB_cF8_225_a_b:P-Sc,2.0,AB_cF8_225_a_b:P-Sc +mp-1188800,Sc3P,-6.9103627769,-0.8076853215,0.0,-0.0072878519,GGA,Pnma,AB3_oP16_62_c_cd:P-Sc,16.0,AB3_oP16_62_c_cd:P-Sc +mp-981385,Sc3P,-6.5683756075,-0.4656981521,0.3419871694,0.3346993175,GGA,I4/mmm,AB3_tI8_139_a_bd:P-Sc,4.0,AB3_tI8_139_a_bd:P-Sc +mp-1105778,Sc7P3,-7.0104570475,-0.953737922,0.0115976094,0.0115976094,GGA,P6_3mc,A3B7_hP20_186_c_b2c:P-Sc,20.0,A3B7_hP20_186_c_b2c:P-Sc +mp-641541,Ge3N4,-6.7847671975,-0.0397581596,0.2080229154,-0.0397581596,GGA,Pnma,A3B4_oP28_62_a2c_2cd:Ge-N,28.0,"Invalid WP multiplicities - A3B4_oP28_62_3a5c_6c5d:Ge-N, expected GeN2 to be Ge3N4" +mp-672289,Ge3N4,-6.9927901129,-0.247781075,0.0,-0.247781075,GGA,P31c,A3B4_hP28_159_2c_ab2c:Ge-N,28.0,"Invalid WP multiplicities - A3B4_hP28_159_9c_2a2b9c:Ge-N, expected Ge27N31 to be Ge3N4" +mp-13852,Ge3N4,-6.9911190193,-0.2461099814,0.0016710936,-0.2461099814,GGA,P6_3/m,A3B4_hP14_176_h_ch:Ge-N,14.0,A3B4_hP14_176_h_ch:Ge-N +mp-571281,Ge3N4,-6.9293192971,-0.1843102593,0.0634708157,-0.1843102593,GGA,I-43d,A3B4_cI28_220_a_c:Ge-N,14.0,A3B4_cI28_220_a_c:Ge-N +mp-476,Ge3N4,-6.8841036264,-0.1390945886,0.1086864864,-0.1390945886,GGA,Fd-3m,A3B4_cF56_227_ad_e:Ge-N,14.0,A3B4_cF56_227_ad_e:Ge-N +mp-1245340,Nb5(GeN3)3,-8.5840709488,-0.3838319435,0.4739280523,0.4739280523,GGA,Cmce,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Nb,68.0,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Nb +mp-971694,Ge3N2,-6.099728444,0.008686239,0.1821329915,0.1821329915,GGA,Pm-3m,A3B2_cP20_221_i_g:Ge-N,20.0,A3B2_cP20_221_i_g:Ge-N +mp-1192274,Sc2B4Os5,-9.1495203559,-0.4659437702,0.0289184832,0.0289184832,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:B-Os-Sc,22.0,"Invalid WP multiplicities - A4B5C2_oP22_55_4g_b2h_g:B-Os-Sc, expected Sc2B8Os5 to be Sc2B4Os5" +mp-1189073,ScB2Os,-8.4100906175,-0.6804355983,0.0,-0.0466893222,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Sc,16.0,A2BC_oP16_62_d_c_c:B-Os-Sc +mp-10504,ScB4Os3,-8.7922206519,-0.4507033421,0.0079418619,0.0079418619,GGA,Cmcm,A4B3C_oC32_63_2cf_cf_a:B-Os-Sc,16.0,"Invalid WP multiplicities - A4B3C_oC32_63_2cf_c2f_a:B-Os-Sc, expected ScB4Os5 to be ScB4Os3" +mp-1208003,TmB7Mo3,-8.1829744155,-0.5676536746,0.0,-0.0309591834,GGA,Pnma,A7B3C_oP44_62_7c_3c_c:B-Mo-Tm,44.0,A7B3C_oP44_62_7c_3c_c:B-Mo-Tm +mp-3105,LuBPd3,-5.993338464,-0.6453409198,0.1149050696,0.1149050696,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Lu-Pd,5.0,ABC3_cP5_221_b_a_c:B-Lu-Pd +mp-1182706,Nb3Al2N,-5.3298917433,2.3587018742,3.0898545346,3.0624912369,GGA,P4_332,A2BC3_cP24_212_c_a_d:Al-N-Nb,24.0,A2BC3_cP24_212_c_a_d:Al-N-Nb +mp-1191953,Nb3Al2N,-8.4197462779,-0.7311526604,0.0,-0.0273632977,GGA,P4_132,A2BC3_cP24_213_c_a_d:Al-N-Nb,24.0,A2BC3_cP24_213_c_a_d:Al-N-Nb +mp-1220659,Nb3AlN4,-9.5038064388,-1.0793726075,0.2528773806,0.2528773806,GGA,R-3m,AB4C3_hR24_166_a_2c_bc:Al-N-Nb,8.0,"Invalid WP multiplicities - AB4C3_hR24_166_a_3c_b2c:Al-N-Nb, expected Nb5AlN6 to be Nb3AlN4" +mp-1188742,Nb4AlN3,-9.5332974975,-0.8882624019,0.2547136856,0.2547136856,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-N-Nb,16.0,AB3C4_hP16_194_c_af_ef:Al-N-Nb +mp-1188915,Nb4AlN3,-9.6284193656,-0.98338427,0.1595918175,0.1595918175,GGA,P6_3/mmc,AB3C4_hP16_194_c_ae_2f:Al-N-Nb,16.0,AB3C4_hP16_194_c_ae_2f:Al-N-Nb +mp-1194572,Co5B16,-6.9431660298,-0.1616490151,0.0298165347,0.0298165347,GGA,Pmma,A16B5_oP42_51_ef3i4j_aij:B-Co,42.0,A16B5_oP42_51_ef3i4j_aij:B-Co +mp-20857,CoB,-7.2959324375,-0.4020776546,0.0,-0.1898789352,GGA,Pnma,AB_oP8_62_c_c:B-Co,8.0,AB_oP8_62_c_c:B-Co +mp-20373,Co3B,-7.1843207788,-0.1832344898,0.0178043375,0.0178043375,GGA,Pnma,AB3_oP16_62_c_cd:B-Co,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:B-Co, expected Co5B to be Co3B" +mp-976080,Ge3B,-4.1510469688,0.9860718652,0.9860718652,0.9860718652,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Ge,8.0,AB3_hP8_194_c_h:B-Ge +mp-975611,Ge3B,-4.128608205,1.008510629,1.008510629,1.008510629,GGA,Pm-3m,AB3_cP4_221_a_c:B-Ge,4.0,AB3_cP4_221_a_c:B-Ge +mp-1184555,Ge3B,-4.152983835,0.984134999,0.984134999,0.984134999,GGA,Fm-3m,AB3_cF16_225_a_bc:B-Ge,4.0,AB3_cF16_225_a_bc:B-Ge +mp-1184565,GeB,-5.10099255,0.5502172629000001,0.5502172629000001,0.5502172629000001,GGA,P6_3mc,AB_hP4_186_b_b:B-Ge,4.0,AB_hP4_186_b_b:B-Ge +mp-1193515,Co21(GeB3)2,-7.0537424534,-0.20556728,0.0,-0.0081814221,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Ge,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Ge +mp-639154,Co23B6,-7.1674872352,-0.1479127555,0.018464205,0.018464205,GGA,Fm-3m,A6B23_cF116_225_e_acfh:B-Co,29.0,A6B23_cF116_225_e_acfh:B-Co +mp-1226103,Co4B,-7.126658586,-0.1041259958,0.056705066,0.056705066,GGA,Pm,AB4_mP15_6_2ab_2a2b4c:B-Co,15.0,"Invalid WP multiplicities - AB4_mP15_6_2ab_2a2b8c:B-Co, expected Co20B3 to be Co4B" +mp-493,Co2B,-7.2097091667,-0.2443667131,0.0236850567,0.0236850567,GGA,I4/mcm,AB2_tI12_140_a_h:B-Co,6.0,AB2_tI12_140_a_h:B-Co +mp-1097191,TiVRu2,-5.694587875,3.1874629167,3.68586856,3.68586856,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Ti-V,4.0,A2BC_oI8_71_e_a_b:Ru-Ti-V +mp-1100772,TiVRu2,-9.36557221,-0.4835214183,0.014884225,0.014884225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ti-V,4.0,A2BC_cF16_225_c_a_b:Ru-Ti-V +mp-1181765,CuB5,-5.8647292396,0.3846316811,0.3846316811,0.3846316811,GGA,Pbca,A5B_oP96_61_10c_2c:B-Cu,96.0,A5B_oP96_61_10c_2c:B-Cu +mp-1201287,CuB5,-5.8336632246,0.4156976961,0.4156976961,0.4156976961,GGA,Pbca,A5B_oP96_61_10c_2c:B-Cu,96.0,A5B_oP96_61_10c_2c:B-Cu +mp-983565,CuBSe2,-4.7886078738,-0.3460025247,0.0123597969,0.0123597969,GGA,I-42d,ABC2_tI16_122_a_b_d:B-Cu-Se,8.0,ABC2_tI16_122_a_b_d:B-Cu-Se +mp-9270,SbIrS,-6.4117546517,-0.710459556,0.0044330658,-0.08802628,GGA,Pca2_1,ABC_oP12_29_a_a_a:Ir-S-Sb,12.0,ABC_oP12_29_a_a_a:Ir-S-Sb +mp-8630,SbIrS,-6.4161877175,-0.7148926219,0.0,-0.0924593458,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-S-Sb,12.0,ABC_cP12_198_a_a_a:Ir-S-Sb +mp-2833,IrS2,-6.4396577158,-0.7358797446,0.0,-0.0571602363,GGA,Pnma,AB2_oP24_62_2c_4c:Ir-S,24.0,AB2_oP24_62_2c_4c:Ir-S +mp-1102261,IrS2,-6.326323245,-0.6225452737,0.1133344708,0.0561742345,GGA,Pa-3,AB2_cP12_205_a_c:Ir-S,12.0,AB2_cP12_205_a_c:Ir-S +mp-1188655,Ir2S3,-6.684122119,-0.6668785269,0.000497187,-0.0045867567,GGA,Pbcn,A2B3_oP20_60_d_cd:Ir-S,20.0,A2B3_oP20_60_d_cd:Ir-S +mp-861979,Ir2S3,-6.684619306,-0.6673757139000001,0.0,-0.0050839437,GGA,R-3c,A2B3_hR30_167_c_e:Ir-S,10.0,A2B3_hR30_167_c_e:Ir-S +mp-1101826,Ir3S8,-6.1078412736,-0.6890320486,0.0,-0.0869486212,GGA,R-3,A3B8_hR33_148_d_cf:Ir-S,11.0,A3B8_hR33_148_d_cf:Ir-S +mp-1207060,TiI2,-4.5106960433,-0.8966211378000001,0.1051589207,0.1051589207,GGA,P-3m1,A2B_hP3_164_d_a:I-Ti,3.0,A2B_hP3_164_d_a:I-Ti +mp-30951,CsTi2I7,-3.842491661,-1.1424965755,0.111256835,0.111256835,GGA,Pa-3,AB7C2_cP40_205_a_bd_c:Cs-I-Ti,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_3b3d_c:Cs-I-Ti, expected CsTi2I21 to be CsTi2I7" +mp-23264,TiI3,-4.2059003325,-1.1270025658,0.0,-0.1209531156,GGA,Pmmn,A3B_oP16_59_ab2e_f:I-Ti,16.0,A3B_oP16_59_ab2e_f:I-Ti +mp-23223,TiI3,-4.2009087725,-1.1220110058,0.00499156,-0.1159615556,GGA,P6_3/mcm,A3B_hP8_193_g_b:I-Ti,8.0,A3B_hP8_193_g_b:I-Ti +mp-980194,TiI,-4.7898806875,-0.1054515042,0.6458835397,0.6458835397,GGA,P6_3mc,AB_hP4_186_b_b:I-Ti,4.0,AB_hP4_186_b_b:I-Ti +mp-1206662,Cs2TiI6,-3.4718101467,-1.4133107177,0.0,-0.0353596794,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Ti,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Ti +mp-567698,CsTiI3,-3.938046944,-1.2958482563,0.0095224944,0.0095224944,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-I-Ti,10.0,AB3C_hP10_194_c_h_a:Cs-I-Ti +mp-541013,TiI4,-3.829497921,-1.0717064377,0.0,-0.170104385,GGA,C2/c,A4B_mC20_15_2f_e:I-Ti,10.0,A4B_mC20_15_2f_e:I-Ti +mp-2275282,HoAsS,-6.16337309,-1.704047376,0.0,-0.0497479991,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Ho-S,6.0,ABC_tP6_129_a_c_c:As-Ho-S +mp-1205444,Fe3C,-8.4996891638,0.1599931169,0.1599931169,0.1599931169,GGA,C2/m,AB3_mC32_12_2i_6i:C-Fe,16.0,AB3_mC32_12_2i_6i:C-Fe +mp-1182630,Fe3C,-8.3826988744,0.2769834063,0.2769834063,0.2769834063,GGA,Pmmn,AB3_oP8_59_a_be:C-Fe,16.0,AB3_oP8_59_a_be:C-Fe +mp-613523,Fe3C,-8.535925755000001,0.1237565256,0.1237565256,0.1237565256,GGA,Pnma,AB3_oP16_62_a_cd:C-Fe,16.0,"Invalid WP multiplicities - AB3_oP16_62_a_4c4d:C-Fe, expected Fe12C to be Fe3C" +mp-510623,Fe3C,-8.6035512381,0.0561310425,0.0561310425,0.0561310425,GGA,Pnma,AB3_oP16_62_c_cd:C-Fe,16.0,AB3_oP16_62_c_cd:C-Fe +mp-1188724,Fe3C,-4.3332213969,4.3264608838,4.3264608838,4.3264608838,GGA,Pnma,AB3_oP16_62_c_cd:C-Fe,16.0,AB3_oP16_62_c_cd:C-Fe +mp-1205436,Fe3C,-8.4995720531,0.1601102275,0.1601102275,0.1601102275,GGA,I-42m,AB3_tI32_121_f_g2i:C-Fe,16.0,AB3_tI32_121_f_g2i:C-Fe +mp-13154,Fe3C,-8.6039019738,0.0557803069,0.0557803069,0.0557803069,GGA,P6_322,AB3_hP8_182_c_g:C-Fe,8.0,AB3_hP8_182_c_g:C-Fe +mp-1078579,Fe4C,-8.489211501,0.1325385655,0.1325385655,0.1325385655,GGA,P2_1/m,AB4_mP10_11_e_4e:C-Fe,10.0,AB4_mP10_11_e_4e:C-Fe +mp-1070333,Fe4C,-8.343180412,0.2785696545,0.2785696545,0.2785696545,GGA,I4/m,AB4_tI10_87_a_h:C-Fe,5.0,AB4_tI10_87_a_h:C-Fe +mp-1246,Fe4C,-8.10644729,0.5153027765,0.5153027765,0.5153027765,GGA,P-43m,AB4_cP5_215_a_e:C-Fe,5.0,AB4_cP5_215_a_e:C-Fe +mp-1871,Fe2C,-8.6635276467,0.0593749908,0.0593749908,0.0593749908,GGA,Pnnm,AB2_oP6_58_a_g:C-Fe,6.0,AB2_oP6_58_a_g:C-Fe +mp-1102779,Fe2C,-8.5440841558,0.1788184817,0.1788184817,0.1788184817,GGA,Pnma,AB2_oP12_62_c_2c:C-Fe,12.0,AB2_oP12_62_c_2c:C-Fe +mp-568503,Fe2C,-7.5806637933,1.1422388442,1.1422388442,1.1422388442,GGA,P6/mmm,AB2_hP3_191_a_c:C-Fe,3.0,AB2_hP3_191_a_c:C-Fe +mp-1079380,PuFeC2,-10.0841027713,0.21469486,0.2413161328,0.2413161328,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Fe-Pu,8.0,A2BC_tP8_129_2c_a_c:C-Fe-Pu +mp-21717,Fe7C3,-8.6331253762,0.0644891185,0.0644891185,0.0644891185,GGA,Pnma,A3B7_oP40_62_cd_3c2d:C-Fe,40.0,"Invalid WP multiplicities - A3B7_oP40_62_3c4d_9c11d:C-Fe, expected Fe31C11 to be Fe7C3" +mp-18257,Fe7C3,-8.617215270500001,0.0803992243,0.0803992242,0.0803992242,GGA,P6_3mc,A3B7_hP20_186_c_b2c:C-Fe,20.0,"Invalid WP multiplicities - A3B7_hP20_186_c_b3c:C-Fe, expected Fe10C3 to be Fe7C3" +mp-1192884,Fe23C6,-8.5742034062,0.0527786898,0.0527786898,0.0527786898,GGA,Fm-3m,A6B23_cF116_225_e_acfh:C-Fe,29.0,A6B23_cF116_225_e_acfh:C-Fe +mp-645339,Fe5C2,-8.6255010468,0.0612756725,0.0612756725,0.0612756725,GGA,P2/c,A2B5_mP28_13_2g_ef4g:C-Fe,28.0,"Invalid WP multiplicities - A2B5_mC28_15_f_3e8f:C-Fe, expected Fe19C2 to be Fe5C2" +mp-2794,Fe5C2,-8.6275792971,0.0591974221,0.0591974221,0.0591974221,GGA,C2/c,A2B5_mC28_15_f_e2f:C-Fe,14.0,"Invalid WP multiplicities - A2B5_mC28_15_f_e3f:C-Fe, expected Fe7C2 to be Fe5C2" +mp-1203767,Lu3C4,-7.5908963273,-0.3798229659,0.0,-0.017327741,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Lu,70.0,A4B3_tP70_128_2eghi_aehi:C-Lu +mp-1222457,LuC2,-7.7757137,-0.1162865317,0.181185514,0.181185514,GGA,Immm,A2B_oI6_71_f_a:C-Lu,3.0,A2B_oI6_71_f_a:C-Lu +mp-8371,LuC2,-7.8486354933,-0.189208325,0.1082637206,0.1082637206,GGA,I4/mmm,A2B_tI6_139_e_a:C-Lu,3.0,A2B_tI6_139_e_a:C-Lu +mp-15178,Lu4C7,-7.8412840977,-0.3245149589,0.0,-0.0022409272,GGA,P2_1/c,A7B4_mP22_14_a3e_2e:C-Lu,22.0,"Invalid WP multiplicities - A7B4_mP22_14_a4e_2e:C-Lu, expected Lu4C9 to be Lu4C7" +mp-1222310,Lu2C,-6.4626436867,-0.3724548425,0.0,-0.1508914457,GGA,R-3m,AB2_hR9_166_a_c:C-Lu,3.0,AB2_hR9_166_a_c:C-Lu +mp-15319,Lu2C3,-7.6132704175,-0.267690914,0.0877965288,0.0877965288,GGA,I-43d,A3B2_cI40_220_d_c:C-Lu,20.0,A3B2_cI40_220_d_c:C-Lu +mp-1203650,Lu15C19,-7.5216002812,-0.3698678648,0.009565024,0.009565024,GGA,P4/mnc,A19B15_tP68_128_aeghi_behi:C-Lu,68.0,"Invalid WP multiplicities - A19B15_tP68_128_aegh2i_behi:C-Lu, expected Lu5C9 to be Lu15C19" +mp-10609,Lu3SnC,-6.029774586,-0.6695568045,0.0,-0.136081083,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Lu-Sn,5.0,AB3C_cP5_221_b_c_a:C-Lu-Sn +mp-981336,Zn3C,-2.2059999725,1.0459741081,1.0459741081,1.0459741081,GGA,I4/mmm,AB3_tI8_139_a_bd:C-Zn,4.0,AB3_tI8_139_a_bd:C-Zn +mp-971857,Zn3C,-2.21168533,1.0402887506,1.0402887506,1.0402887506,GGA,Pm-3m,AB3_cP4_221_a_c:C-Zn,4.0,AB3_cP4_221_a_c:C-Zn +mp-1207473,ZnC2,-5.4466961358,1.1256620625,1.1256620625,1.1256620625,GGA,Pn-3m,A2B_cP12_224_e_b:C-Zn,12.0,A2B_cP12_224_e_b:C-Zn +mp-703492,Zr3Zn3C,-6.0067047211,-0.4851335479,0.0,-0.035593315,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Zn-Zr,28.0,AB3C3_cF112_227_c_de_f:C-Zn-Zr +mp-9371,ErF3,-7.0471910175,-4.4716520894,0.0,-4.4716520894,GGA,Pnma,AB3_oP16_62_c_cd:Er-F,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:Er-F, expected ErF5 to be ErF3" +mp-1213061,ErHfF7,-7.4246971589,-4.3241126464,0.0,-0.0438503796,GGA,P2_1,AB7C_mP18_4_a_7a_a:Er-F-Hf,18.0,AB7C_mP18_4_a_7a_a:Er-F-Hf +mp-1216318,Y3Th3Mn23,-8.61449175,0.0878303123,0.0892465183,0.0892465183,GGA,R3m,A23B3C3_hR87_160_5a6b_b_b:Mn-Th-Y,29.0,A23B3C3_hR87_160_5a6b_b_b:Mn-Th-Y +mp-11281,Be2V,-5.7390907242,-0.2181801242,0.0,-0.1441619297,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-V,12.0,A2B_hP12_194_ah_f:Be-V +mp-867874,BeVRu2,-8.1944254975,-0.3513944937,0.0,-0.1098028806,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ru-V,4.0,AB2C_cF16_225_a_c_b:Be-Ru-V +mp-571438,Be12V,-4.2530144577,-0.1024867308,0.0,-0.0521374713,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-V,13.0,"Invalid WP multiplicities - A12B_tI26_139_2f2i4j_a:Be-V, expected Be32V to be Be12V" +mp-865746,GaTc2W,-9.3060659075,-0.1291898719,0.0,-0.0826305113,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Tc-W,4.0,AB2C_cF16_225_a_c_b:Ga-Tc-W +mp-504759,MoF5,-6.0382107867,-2.6377032954,0.0,-0.0079036661,GGA+U,C2/m,A5B_mC48_12_2i4j_gi:F-Mo,24.0,A5B_mC48_12_2i4j_gi:F-Mo +mp-1379489,MoF5,-5.9884381742,-2.5879306829,0.0497726125,0.0418689464,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-Mo,24.0,A5B_mP24_14_5e_e:F-Mo +mp-1406655,MoF5,-5.9789968867,-2.5784893954,0.0592139,0.0513102339,GGA+U,C2/c,A5B_mC24_15_e2f_a:F-Mo,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_a:F-Mo, expected MoF7 to be MoF5" +mp-1047607,MoF5,-5.7504151192,-2.3499076279,0.2877956675,0.2798920014,GGA+U,Cmcm,A5B_oC24_63_c2f_a:F-Mo,12.0,"Invalid WP multiplicities - A5B_oC24_63_c3f_a:F-Mo, expected MoF7 to be MoF5" +mp-1445885,MoF5,-5.6110216117,-2.2105141204,0.427189175,0.4192855089,GGA+U,Immm,A5B_oI12_71_bfg_a:F-Mo,6.0,A5B_oI12_71_bfg_a:F-Mo +mp-1374127,CrF5,-5.4674830892,-2.2657427046,0.0460376383,0.0262197375,GGA+U,P2_1/c,AB5_mP24_14_e_5e:Cr-F,24.0,AB5_mP24_14_e_5e:Cr-F +mp-1388415,CrF5,-5.4583643475,-2.2566239629,0.05515638,0.0353384792,GGA+U,C2/c,AB5_mC24_15_a_e2f:Cr-F,12.0,"Invalid WP multiplicities - AB5_mC24_15_c_e3f:Cr-F, expected CrF7 to be CrF5" +mp-639662,CrF5,-5.5135207275,-2.3117803429,0.0,-0.0198179008,GGA+U,Pbcm,AB5_oP24_57_d_c2de:Cr-F,24.0,"Invalid WP multiplicities - AB5_oP24_57_d_3c6d4e:Cr-F, expected CrF17 to be CrF5" +mp-1041606,CrF5,-5.2107933575,-2.0090529729,0.30272737,0.2829094692,GGA+U,Cmcm,AB5_oC24_63_a_c2f:Cr-F,12.0,"Invalid WP multiplicities - AB5_oC24_63_a_c3f:Cr-F, expected CrF7 to be CrF5" +mp-1397070,CrF5,-5.2069639733,-2.0052235888,0.3065567542,0.2867388533,GGA+U,Immm,AB5_oI12_71_a_bfg:Cr-F,6.0,AB5_oI12_71_a_bfg:Cr-F +mp-557259,MoF6,-5.7785568511,-2.5907677204,0.0,-0.3298791814,GGA+U,Pnma,A6B_oP28_62_2c2d_c:F-Mo,28.0,"Invalid WP multiplicities - A6B_oP28_62_7c11d_c:F-Mo, expected MoF29 to be MoF6" +mp-558836,MoF6,-5.7734745871,-2.5856854564,0.0050822639,-0.3247969175,GGA+U,Im-3m,A6B_cI14_229_e_a:F-Mo,7.0,A6B_cI14_229_e_a:F-Mo +mp-558380,Cr2F5,-7.0694223729,-2.9460666904,0.0025899921,0.0025899921,GGA+U,C2/c,A2B5_mC28_15_cd_e2f:Cr-F,14.0,A2B5_mC28_15_ab_e2f:Cr-F +mp-1395134,MoF4,-6.339749849,-2.641436653,0.0477498485,0.0477498485,GGA+U,P1,A4B_aP10_1_8a_2a:F-Mo,10.0,A4B_aP10_1_8a_2a:F-Mo +mp-554340,CrF2,-7.3164676267,-2.824465825,0.0,-0.0748035807,GGA+U,P2_1/c,AB2_mP6_14_a_e:Cr-F,6.0,AB2_mP6_14_a_e:Cr-F +mp-1181739,CrMoF6,-6.7891715975,-2.7932251744,0.1169937475,0.1108803938,GGA+U,P-1,AB6C_aP8_2_a_3i_e:Cr-F-Mo,8.0,AB6C_aP8_2_a_3i_e:Cr-F-Mo +mp-557158,CrMoF6,-6.906165345,-2.9102189219000003,0.0,-0.0061133537,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Mo,8.0,AB6C_hR24_148_a_f_b:Cr-F-Mo +mp-1181931,CrF3,-6.7138905863,-2.8670194931,0.1747803325,-0.0615435004,GGA+U,C2/c,AB3_mC16_15_a_ef:Cr-F,8.0,"Invalid WP multiplicities - AB3_mC16_15_a_2e3f:Cr-F, expected CrF8 to be CrF3" +mp-560338,CrF3,-6.8886709188,-3.0417998256,0.0,-0.2363238329,GGA+U,R-3c,AB3_hR24_167_b_e:Cr-F,8.0,AB3_hR24_167_b_e:Cr-F +mp-557539,MoF3,-6.9114330638,-2.7664113106,0.0,-0.2900644484,GGA+U,R-3c,A3B_hR24_167_e_b:F-Mo,8.0,A3B_hR24_167_e_b:F-Mo +mp-554201,MoF3,-6.8959563525,-2.7509345994,0.0154767113,-0.2745877372,GGA+U,Pm-3m,A3B_cP4_221_c_b:F-Mo,4.0,A3B_cP4_221_c_b:F-Mo +mp-1391848,CrF6,-5.0831750714,-2.0657577464,0.0,-0.0842317382,GGA+U,R-3,AB6_hR21_148_a_f:Cr-F,7.0,AB6_hR21_148_a_f:Cr-F +mp-1387939,CrF4,-5.587554519,-2.127761851,0.480887165,0.476026285,GGA+U,Cm,AB4_mC20_8_2a_4a2b:Cr-F,10.0,"Invalid WP multiplicities - AB4_mC20_8_2a_4a3b:Cr-F, expected CrF5 to be CrF4" +mp-554855,CrF4,-6.068441684,-2.608649016,0.0,-0.00486088,GGA+U,C2/c,AB4_mC80_15_2f_2e7f:Cr-F,40.0,"Invalid WP multiplicities - AB4_mC80_15_3f_4e24f:Cr-F, expected Cr3F26 to be CrF4" +mp-20488,CrF4,-6.0623226185,-2.6025299505,0.0061190655,0.0012581855,GGA+U,P4_2/mnm,AB4_tP20_136_f_2gi:Cr-F,20.0,AB4_tP20_136_f_2gi:Cr-F +mp-1924816,CrF4,-5.71889328,-2.259100612,0.349548404,0.344687524,GGA+U,I4/mcm,AB4_tI20_140_d_l:Cr-F,10.0,"Invalid WP multiplicities - AB4_mC20_15_a_6f:Cr-F, expected CrF12 to be CrF4" +mp-1212068,HoZrF7,-7.1788166056,-4.2332096864,0.0,-0.0250352575,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Ho-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Ho-Zr +mp-561877,HoF3,-7.044484705,-4.4652732619,0.0,-4.4652732619,GGA,Pnma,A3B_oP16_62_cd_c:F-Ho,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c4d_c:F-Ho, expected HoF11 to be HoF3" +mp-569673,PrI2,-4.1823053392,-1.6064258542,0.0,-0.0019597655,GGA,F-43m,A2B_cF48_216_2e_e:I-Pr,12.0,"Invalid WP multiplicities - A2B_cF48_216_6e_e:I-Pr, expected PrI6 to be PrI2" +mp-28320,Pt3I8,-3.1934008711,-0.4660980748,0.0,-0.0023606711,GGA,P4_12_12,A8B3_tP44_92_4b_ab:I-Pt,44.0,"Invalid WP multiplicities - A8B3_tP44_92_5b_ab:I-Pt, expected Pt3I10 to be Pt3I8" +mp-704718,Pt3I8,-3.1903569475,-0.4630541511,0.0030439236,0.0006832525,GGA,P4_32_12,A8B3_tP44_96_4b_ab:I-Pt,44.0,"Invalid WP multiplicities - A8B3_tP44_96_5b_ab:I-Pt, expected Pt3I10 to be Pt3I8" +mp-28268,PtI3,-3.0918597856,-0.4690516931,0.0,-0.0006351796,GGA,C2/c,A3B_mC32_15_3f_ce:I-Pt,16.0,A3B_mC32_15_3f_ae:I-Pt +mp-653855,Pr3PtI3,-4.978546365,-1.4308392743,0.0,-0.0661477399,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-Pr-Pt,28.0,A3B3C_cI56_214_h_g_a:I-Pr-Pt +mp-862800,PrI3,-4.0316015238,-1.7313503225,0.0,-0.2271633644,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Pr,8.0,A3B_hP8_194_h_c:I-Pr +mp-669496,PtI4,-2.8664368227,-0.4735170787,0.0,-0.0982757243,GGA,Pbca,A4B_oP40_61_4c_c:I-Pt,40.0,"Invalid WP multiplicities - A4B_oP40_61_28c_c:I-Pt, expected PtI28 to be PtI4" +mp-975592,Pr3I,-4.2212701613,-0.2672492575,0.3351604378,0.3351604378,GGA,P6_3/mmc,AB3_hP8_194_c_h:I-Pr,8.0,AB3_hP8_194_c_h:I-Pr +mp-28319,PtI2,-3.455521305,-0.449565965,0.0,-0.0223093965,GGA,P2_1/c,A2B_mP12_14_2e_e:I-Pt,12.0,A2B_mP12_14_2e_e:I-Pt +mp-22854,Pr2I5,-4.1374484179,-1.7190708093,0.0,-0.0412595446,GGA,P2_1/m,A5B2_mP14_11_5e_2e:I-Pr,14.0,A5B2_mP14_11_5e_2e:I-Pr +mp-1206823,PrI6,-2.4081600114,-0.4622880321,0.5270550093,0.5270550093,GGA,Cmmm,A6B_oC14_65_kp_a:I-Pr,7.0,A6B_oC14_65_kp_a:I-Pr +mp-632319,CsH,-2.31469314,-0.1706289315,0.051972905,-0.1706289315,GGA,Pm-3m,AB_cP2_221_a_b:Cs-H,2.0,AB_cP2_221_a_b:Cs-H +mp-1057286,CsH,-2.366666045,-0.2226018365,0.0,-0.2226018365,GGA,Fm-3m,AB_cF8_225_a_b:Cs-H,2.0,AB_cF8_225_a_b:Cs-H +mp-643006,Cs3H5Pd,-3.0898364606,-0.3309787771,0.0086271294,0.0086271294,GGA,P4/mbm,A3B5C_tP18_127_bg_ak_c:Cs-H-Pd,18.0,A3B5C_tP18_127_bg_ak_c:Cs-H-Pd +mp-1006815,CsH3,-2.1079478225,0.6604473043,0.7717482225000001,0.7717482225000001,GGA,R-3c,AB3_hR24_167_b_e:Cs-H,8.0,AB3_hR24_167_b_e:Cs-H +mp-1183735,Cs2H4Pd,-3.3075486029,-0.3730356408,0.0,-0.0814292443,GGA,P4_2/mnm,A2B4C_tP14_136_d_ef_a:Cs-H-Pd,14.0,"Invalid WP multiplicities - A2B4C_tP14_136_d_2e2f_a:Cs-H-Pd, expected Cs2H8Pd to be Cs2H4Pd" +mp-23488,Tl5Se2I,-3.1572689044,-0.6224682745,0.0,-0.0507640695,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:I-Se-Tl,16.0,AB2C5_tI32_140_a_h_cl:I-Se-Tl +mp-22858,TlI,-2.7906989600000003,-0.8726942117,0.02318802,-0.4294306328,GGA,Cmcm,AB_oC8_63_c_c:I-Tl,4.0,AB_oC8_63_c_c:I-Tl +mp-23197,TlI,-2.76241628,-0.8444115317,0.0514706999999999,-0.4011479528,GGA,Pm-3m,AB_cP2_221_a_b:I-Tl,2.0,AB_cP2_221_a_b:I-Tl +mp-571102,TlI,-2.81388698,-0.8958822317,0.0,-0.4526186528,GGA,Fm-3m,AB_cF8_225_a_b:I-Tl,2.0,AB_cF8_225_a_b:I-Tl +mp-28517,Tl6SeI4,-2.9375616909,-0.7952675311,0.0011914434,0.0011914434,GGA,P4/mnc,A4BC6_tP22_128_g_a_eh:I-Se-Tl,22.0,A4BC6_tP22_128_g_a_eh:I-Se-Tl +mp-28329,TlI3,-2.3605809175,-0.6648953683000001,0.0,-0.2169542525,GGA,Pnma,A3B_oP16_62_3c_c:I-Tl,16.0,A3B_oP16_62_3c_c:I-Tl +mp-1887,MoP2,-7.739559885,-0.5154748439,0.0,-0.0399769139,GGA,Cmc2_1,AB2_oC12_36_a_2a:Mo-P,6.0,AB2_oC12_36_a_2a:Mo-P +mp-2647020,MoP2,-7.17091271,0.0531723311,0.5686471750000001,0.5286702611,GGA,P-6m2,AB2_hP3_187_a_h:Mo-P,3.0,AB2_hP3_187_a_h:Mo-P +mp-1194842,Mo12P,-10.028339355,0.3994378624,0.5071019358000001,0.5071019358000001,GGA,R3,A12B_hR78_146_8b_2a:Mo-P,26.0,A12B_hR78_146_8b_2a:Mo-P +mp-1237770,Mo12P,-10.0590976365,0.3686795809,0.4763436542,0.4763436542,GGA,R3,A12B_hR78_146_8b_2a:Mo-P,26.0,A12B_hR78_146_8b_2a:Mo-P +mp-21833,Mo4P3,-9.0719771798,-0.5544760427000001,0.0138054552,0.0138054552,GGA,Pnma,A4B3_oP56_62_8c_6c:Mo-P,56.0,A4B3_oP56_62_8c_6c:Mo-P +mp-1221513,Mo2As3P,-7.1569422583,-0.3099492681,0.03482388,0.03482388,GGA,Cm,A3B2C_mC12_8_3a_2a_a:As-Mo-P,6.0,A3B2C_mC12_8_3a_2a_a:As-Mo-P +mp-1189099,Mo3P,-9.8365524806,-0.3489892715,0.0009189669,-0.0211738706,GGA,I-4,A3B_tI32_82_3g_g:Mo-P,16.0,A3B_tI32_121_f2i_g:Mo-P +mp-10004,Mo3P,-9.8374714475,-0.3499082383,0.0,-0.0220928375,GGA,I-42m,A3B_tI32_121_f2i_g:Mo-P,16.0,A3B_tI32_121_f2i_g:Mo-P +mp-1186023,MoP3,-6.3741067475,0.39728266,0.7977054969,0.7977054969,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-P,4.0,AB3_cF16_225_a_bc:Mo-P +mp-1221509,Mo2AsP3,-7.5421771117,-0.4437894208,0.0324916017,0.0324916017,GGA,Cm,AB2C3_mC12_8_a_2a_3a:As-Mo-P,6.0,AB2C3_mC12_8_a_2a_3a:As-Mo-P +mp-219,MoP,-8.78510711,-0.6556308017,0.0,-0.1128551186,GGA,P-6m2,AB_hP2_187_a_d:Mo-P,2.0,AB_hP2_187_a_d:Mo-P +mp-1001837,MoP,-7.890844795,0.2386315133,0.8942623150000001,0.7814071964,GGA,F-43m,AB_cF8_216_a_c:Mo-P,2.0,AB_cF8_216_a_c:Mo-P +mp-1001785,MoP,-8.110813535,0.0186627733,0.6742935750000001,0.5614384564,GGA,Fm-3m,AB_cF8_225_a_b:Mo-P,2.0,AB_cF8_225_a_b:Mo-P +mp-11508,MoP4,-6.83116366,-0.3313916327,0.0,-0.0221067263,GGA,C2/c,AB4_mC20_15_e_2f:Mo-P,10.0,"Invalid WP multiplicities - AB4_mC20_15_e_3f:Mo-P, expected MoP6 to be MoP4" +mp-27413,Mo8P5,-9.24920093,-0.4929152828,0.0216127973,0.0216127973,GGA,Pm,A8B5_mP13_6_3a5b_3a2b:Mo-P,13.0,A8B5_mP13_6_3a5b_3a2b:Mo-P +mp-1100784,U3In,-8.832618615,0.323859825,0.325913295,0.325913295,GGA,Pm-3m,AB3_cP4_221_a_c:In-U,4.0,AB3_cP4_221_a_c:In-U +mp-646821,UInNi2,-6.498720115,-0.09787834,0.1250379026,0.1250379026,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-U,4.0,AB2C_cF16_225_a_c_b:In-Ni-U +mp-17023,UNi2,-7.8637065642,-0.2464787742,0.0203186647,0.0203186647,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ni-U,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Ni-U, expected UNi4 to be UNi2" +mp-672702,UInNi4,-6.4146273383,-0.2206872617,0.0145040671,0.0145040671,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Ni-U,6.0,AB4C_cF24_216_a_e_c:In-Ni-U +mp-2838,UNi5,-6.961951705,-0.26326947,0.0,-0.1400300829,GGA,F-43m,A5B_cF24_216_ae_c:Ni-U,6.0,A5B_cF24_216_ae_c:Ni-U +mp-20941,UIn3,-4.89277571,-0.00616041,0.0,-0.00616041,GGA,Pm-3m,A3B_cP4_221_c_a:In-U,4.0,A3B_cP4_221_c_a:In-U +mp-647194,U2InNi2,-7.4290206,-0.050065178,0.13278243,0.13278243,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-U,10.0,AB2C2_tP10_127_a_g_h:In-Ni-U +mp-636821,U6Ni,-10.5230281264,-0.0189428779,0.0457523585,0.0457523585,GGA,I4/mcm,AB6_tI28_140_a_hk:Ni-U,14.0,"Invalid WP multiplicities - AB6_tI28_140_a_3h4k:Ni-U, expected U22Ni to be U6Ni" +mp-567950,U11Ni16,-8.2938356839,-0.268365425,0.0,-0.0492731813,GGA,R-3,A16B11_hR162_148_c5f_2c3f:Ni-U,54.0,"Invalid WP multiplicities - A16B11_hR162_148_2c24f_4c13f:Ni-U, expected U43Ni74 to be U11Ni16" +mp-1207950,U5Sb4,-8.2911886861,-0.1830714628,0.1127487339,0.1127487339,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Sb-U,18.0,A4B5_hP18_193_bg_dg:Sb-U +mp-2707,USb2,-6.9022529083,-0.3857820783,0.0,-0.0588327837,GGA,P4/nmm,A2B_tP6_129_ac_c:Sb-U,6.0,A2B_tP6_129_ac_c:Sb-U +mp-568195,U6Mn,-10.9605489629,0.0266618017,0.0365328121,0.0365328121,GGA,I4/mcm,AB6_tI28_140_a_hk:Mn-U,14.0,AB6_tI28_140_a_hk:Mn-U +mp-177,USb,-8.01747106,-0.307265435,0.0255322862,0.0255322862,GGA,Pm-3m,AB_cP2_221_a_b:Sb-U,2.0,AB_cP2_221_a_b:Sb-U +mp-519,USb,-7.971702255,-0.26149663,0.0713010912,0.0713010912,GGA,Fm-3m,AB_cF8_225_a_b:Sb-U,2.0,AB_cF8_225_a_b:Sb-U +mp-1187748,UMn3,-9.5536452775,0.1407186941,0.1752672305,0.1752672305,GGA,I4/mmm,A3B_tI8_139_ad_b:Mn-U,4.0,A3B_tI8_139_ad_b:Mn-U +mp-1187700,UMn3,-9.562935055,0.1314289166,0.165977453,0.165977453,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-U,4.0,A3B_cP4_221_c_a:Mn-U +mp-1187807,USb3,-6.1998356387,-0.2802322062,0.0091043525,0.0091043525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sb-U,8.0,A3B_hP8_194_h_c:Sb-U +mp-20513,U3MnSb5,-7.3653269739,-0.2896323603,0.0511687772,0.0511687772,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Mn-Sb-U,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_2d2g_g:Mn-Sb-U, expected U3MnSb10 to be U3MnSb5" +mp-567695,UMn2,-9.9178782467,-0.0460647153,0.0,-0.0460647153,GGA,Imma,A2B_oI12_74_ac_e:Mn-U,6.0,A2B_oI12_74_ac_e:Mn-U +mp-339,UMn2,-9.9017044417,-0.0298909103,0.016173805,-0.0298909103,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-U,6.0,A2B_cF24_227_c_b:Mn-U +mp-392,U3Sb4,-7.5789452514,-0.3803402529,0.0,-0.0394248279,GGA,I-43d,A4B3_cI28_220_c_a:Sb-U,14.0,A4B3_cI28_220_c_a:Sb-U +mp-14652,Cs2P3,-4.066734167,-0.4605917142,0.0,-0.0843714822,GGA,Fmmm,A2B3_oF40_69_fg_hm:Cs-P,10.0,A2B3_oF40_69_fg_hm:Cs-P +mp-541113,Cs3P7,-4.4968560702,-0.438923604,0.0,-0.0739560614,GGA,P4_1,A3B7_tP40_76_3a_7a:Cs-P,40.0,A3B7_tP40_76_3a_7a:Cs-P +mp-1206405,Cs(PRh)2,-6.026917116,-0.7367924909,0.0,-0.1366707709,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Cs-P-Rh,5.0,AB2C2_tI10_139_a_e_d:Cs-P-Rh +mp-1213206,CsP7,-5.0461059803,-0.1975409905,8.42519e-05,-0.0146561555,GGA,Pca2_1,AB7_oP32_29_a_7a:Cs-P,32.0,AB7_oP32_29_a_7a:Cs-P +mp-1201790,CsP7,-5.0461902322,-0.1976252423,0.0,-0.0147404074,GGA,Pbcm,AB7_oP32_57_c_3d2e:Cs-P,32.0,AB7_oP32_57_c_3d2e:Cs-P +mp-1079311,Nd(PRh)2,-7.164163518,-1.0994898808,0.0,-0.0396198561,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Nd-P-Rh,10.0,AB2C2_tP10_129_c_ac_bc:Nd-P-Rh +mp-1220487,Nd2P7Rh12,-7.3714830962,-0.9047637223,0.0,-0.0399943368,GGA,P-3,A2B7C12_hP21_147_d_ag_2g:Nd-P-Rh,21.0,A2B7C12_hP21_147_d_ag_2g:Nd-P-Rh +mp-1206074,Nd2(PRh)3,-5.49485058,0.4887901694,1.6018633225,1.6018633225,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Nd-P-Rh,8.0,A2B3C3_tP8_123_g_ag_bg:Nd-P-Rh +mp-11597,NdBPt3,-6.799303336,-0.8671155033,0.0,-0.0329211412,GGA,P4mm,ABC3_tP5_99_a_b_ac:B-Nd-Pt,5.0,"Invalid WP multiplicities - ABC3_tP5_99_a_b_a2c:B-Nd-Pt, expected NdBPt5 to be NdBPt3" +mp-569341,NdBPt2,-6.8238224033,-0.9263709425,0.0,-0.0559886181,GGA,P6_222,ABC2_hP12_180_d_c_i:B-Nd-Pt,12.0,ABC2_hP12_180_d_c_i:B-Nd-Pt +mp-1209829,NdBPt4,-6.7280887225,-0.7727433086000001,0.0,-0.0354853596,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Nd-Pt,12.0,ABC4_hP12_191_c_ab_di:B-Nd-Pt +mp-569094,P4Se3,-4.8471764526,-0.2556129584,0.0126875205,0.0126875205,GGA,Pnma,A4B3_oP112_62_8c4d_4c4d:P-Se,112.0,"Invalid WP multiplicities - A4B3_oP112_62_31c25d_13c28d:P-Se, expected P27Se23 to be P4Se3" +mp-541189,P4Se3,-4.8448852086,-0.2533217143,0.0149787645,0.0149787645,GGA,Pnma,A4B3_oP56_62_4c2d_2c2d:P-Se,56.0,A4B3_oP56_62_4c2d_2c2d:P-Se +mp-28860,P2Se5,-4.3905597561,-0.3468222701,0.0,-0.1458679685,GGA,P2_1/c,A2B5_mP28_14_2e_5e:P-Se,28.0,A2B5_mP28_14_2e_5e:P-Se +mp-2319,P2Os,-7.87211903,-0.5207948822,0.0,-0.2040974283,GGA,Pnnm,AB2_oP6_58_a_g:Os-P,6.0,AB2_oP6_58_a_g:Os-P +mp-1103842,P4Os,-6.956152436,-0.3800369447,0.0,-0.0675600153,GGA,P-1,AB4_aP15_2_ai_6i:Os-P,15.0,AB4_aP15_2_ai_6i:Os-P +mp-1087509,P4Os,-6.9400084060000005,-0.3638929147,0.01614403,-0.0514159853,GGA,P2_1/c,AB4_mP10_14_a_2e:Os-P,10.0,AB4_mP10_14_a_2e:Os-P +mp-1101841,POsSe,-7.1825652133,-0.4703714086,0.0360726454,0.0360726454,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-P-Se,12.0,ABC_mP12_14_e_e_e:Os-P-Se +mp-28885,PSe,-4.7676242175,-0.3130172253,0.0,-0.0253515421,GGA,P2_1/c,AB_mP32_14_4e_4e:P-Se,32.0,AB_mP32_14_4e_4e:P-Se +mp-1220020,P2Se,-4.6222529967,0.151919167,0.3605973172,0.3605973172,GGA,I4_1/amd,A2B_tI12_141_c_b:P-Se,6.0,A2B_tI12_141_c_b:P-Se +mp-2447,P4Se5,-4.6606808486,-0.3125955803,0.0091859159,0.0091859159,GGA,Pna2_1,A4B5_oP36_33_4a_5a:P-Se,36.0,A4B5_oP36_33_4a_5a:P-Se +mp-17987,Tb11O20,-8.2813680397,-3.4455034808,0.088994749,0.088994749,GGA,P-1,A20B11_aP31_2_10i_a5i:O-Tb,31.0,A20B11_aP31_2_10i_a5i:O-Tb +mp-556069,Tb11O20,-8.2929631435,-3.4570985847,0.0773996451,0.0773996451,GGA,P-1,A20B11_aP31_2_10i_a5i:O-Tb,31.0,"Invalid WP multiplicities - A20B11_aP31_2_19i_a10i:O-Tb, expected Tb21O38 to be Tb11O20" +mp-551685,Pb2O,-4.7480825133,-0.6240882296,0.3557201897,0.3557201897,GGA,Pn-3m,AB2_cP6_224_a_b:O-Pb,6.0,AB2_cP6_224_a_b:O-Pb +mp-21452,Pb3O4,-5.8651403061,-1.4473265839,0.0003815954,-0.0316168433,GGA,Pbam,A4B3_oP28_55_ghi_egh:O-Pb,28.0,A4B3_oP28_55_ghi_egh:O-Pb +mp-636813,Pb3O4,-5.8274200193,-1.4096062971,0.0381018821,0.0061034434,GGA,Pbam,A4B3_oP14_55_gh_ah:O-Pb,14.0,"Invalid WP multiplicities - A4B3_oP14_55_gh_2a2h:O-Pb, expected Pb3O2 to be Pb3O4" +mp-22633,Pb3O4,-5.8655219014,-1.4477081793,0.0,-0.0319984387,GGA,P4_2/mbc,A4B3_tP28_135_gh_dh:O-Pb,28.0,A4B3_tP28_135_gh_dh:O-Pb +mp-2458,TbO2,-8.0317221433,-3.1891409692,0.1311452467,0.1311452467,GGA,Fm-3m,A2B_cF12_225_c_a:O-Tb,3.0,A2B_cF12_225_c_a:O-Tb +mp-1186421,Pb3O,-4.0212309325,-7.34522e-05,0.7347828623,0.7347828623,GGA,Pm-3m,AB3_cP4_221_a_c:O-Pb,4.0,AB3_cP4_221_a_c:O-Pb +mp-1186448,Pb3O,-4.0194154375,0.0017420428,0.7365983573,0.7365983573,GGA,Fm-3m,AB3_cF16_225_a_bc:O-Pb,4.0,AB3_cF16_225_a_bc:O-Pb +mp-16302,Tb6O11,-8.2591901299,-3.4227329285,0.0928642413,0.0928642413,GGA,P-1,A11B6_aP68_2_22i_12i:O-Tb,68.0,"Invalid WP multiplicities - A11B6_aP68_2_24i_12i:O-Tb, expected TbO2 to be Tb6O11" +mp-690722,Pb2O3,-5.6456110715,-1.1925390168,0.211005277,0.211005277,GGA,Pm,A3B2_mP20_6_2a2b4c_2a2b2c:O-Pb,20.0,"Invalid WP multiplicities - A3B2_mP20_11_2e7f_ad4e:O-Pb, expected Pb3O8 to be Pb2O3" +mp-608439,Pb2O3,-5.720012839,-1.2669407843,0.1366035095,0.1366035095,GGA,P2_1/m,A3B2_mP10_11_3e_2e:O-Pb,10.0,"Invalid WP multiplicities - A3B2_mP10_11_5e_2e:O-Pb, expected Pb2O5 to be Pb2O3" +mp-1179959,Pb2O3,-5.829445799,-1.3763737443,0.0271705495,0.0271705495,GGA,P2_1/m,A3B2_mP10_11_ef_ae:O-Pb,10.0,A3B2_mP10_11_ef_ae:O-Pb +mp-655547,Pb2O3,-5.647230915,-1.1941588603,0.2093854335,0.2093854335,GGA,C2/m,A3B2_mC20_12_ij_abf:O-Pb,10.0,"Invalid WP multiplicities - A3B2_mC20_12_2i2j_ab2e:O-Pb, expected PbO2 to be Pb2O3" +mp-20078,Pb2O3,-5.84718064,-1.3941085853,0.0094357085,0.0094357085,GGA,P2_1/c,A3B2_mP20_14_3e_2e:O-Pb,20.0,A3B2_mP20_14_3e_2e:O-Pb +mp-754071,Pb2O3,-5.769475659,-1.3164036043,0.0871406895,0.0871406895,GGA,Pmn2_1,A3B2_oP10_31_3a_2a:O-Pb,10.0,"Invalid WP multiplicities - A3B2_oP10_31_5a_3a:O-Pb, expected Pb3O5 to be Pb2O3" +mp-1084761,Cr2InPd2,-6.344735635,0.138772823,0.4484024365,0.4484024365,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Cr-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Cr-In-Pd +mp-1183593,CaTmPd2,-5.0136296625,-0.8033299317,0.0360682403,0.0360682403,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Tm +mp-1227375,Be4CrMo,-6.1583891433,-0.2489976367,0.0211848142,0.0211848142,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Be-Cr-Mo,12.0,A4BC_hP12_164_abi_d_d:Be-Cr-Mo +mp-30438,Be2Cr,-5.9310728092,-0.2204484092,0.0,-0.1838932286,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Cr,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Be-Cr, expected Be4Cr to be Be2Cr" +mp-1183401,BeCr3,-8.0479993325,0.1266394863,0.2093076397,0.2093076397,GGA,Pm-3m,AB3_cP4_221_a_c:Be-Cr,4.0,AB3_cP4_221_a_c:Be-Cr +mp-1590,Be12Cr,-4.2449227,-0.0506148654,0.0002578444,0.0002578444,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Cr,13.0,"Invalid WP multiplicities - A12B_tI26_139_fi2j_a:Be-Cr, expected Be16Cr to be Be12Cr" +mp-1186426,PaMn2Ga,-7.8270401775,-0.1103423608,0.0157994444,0.0157994444,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-Pa,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-Pa +mp-1194111,Zr6Ga16Os7,-6.4901293552,-0.3409116948,0.0756940359,0.0756940359,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Zr +mp-861667,LiSbRh2,-5.7797266425,-0.5880916808000001,0.0,-0.160858792,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Sb +mp-864667,NdTlAu2,-3.9858097775,-0.5661711327,0.0165545675,0.0165545675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Nd-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Nd-Tl +mp-1214774,Ce23Cd4Ir7,-6.3229658947,-0.3811526928,0.0274353401,0.0274353401,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Ce-Ir,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Ce-Ir +mp-1213878,Ce4CdIr,-5.9058451962,-0.3235651029,0.03454825,0.03454825,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ce-Ir,24.0,AB4C_cF96_216_e_efg_e:Cd-Ce-Ir +mp-1219151,Sm4Ga7Ag5,-3.8834084675,-0.4937961729,0.0,-0.0087520762,GGA,Pm,A5B7C4_mP16_6_2a3b_4a3b_2a2b:Ag-Ga-Sm,16.0,A5B7C4_mP16_6_2a3b_4a3b_2a2b:Ag-Ga-Sm +mp-1218984,SmGa3Ag,-3.789448406,-0.4623623648,0.0,-0.0111694543,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Ag-Ga-Sm,5.0,AB3C_tI10_119_a_bf_c:Ag-Ga-Sm +mp-1187000,Sm2GaAg,-4.25202906,-0.427572986,0.0130829637,0.0130829637,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Sm +mp-1208773,Sr2TlBr5,-3.9055440619,-2.217197599,0.0017823481,0.0017823481,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Br-Sr-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Br-Sr-Tl +mp-1100896,Yb3GdSb3,-5.59415382,-1.1538751343,0.0,-0.0441386438,GGA,P2_13,AB3C3_cP28_198_a_b_3a:Gd-Sb-Yb,,"Invalid WP multiplicities - AB3C3_cP28_198_a_b_10a:Gd-Sb-Yb, expected Yb10GdSb3 to be Yb3GdSb3" +mp-1093668,Ca2CdAg,-0.8811089200000001,1.0605524608,1.4062037,1.4062037,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ca-Cd,4.0,AB2C_oI8_71_a_e_b:Ag-Ca-Cd +mp-1093755,CaCd2Ag,-0.7772426975000001,0.8937411533,1.1576392048,1.1576392048,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Ca-Cd,4.0,ABC2_oI8_71_a_b_e:Ag-Ca-Cd +mp-1093688,CaCdAg2,-1.23734832,0.9110520917,1.1706998568,1.1706998568,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Cd,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Cd +mp-1080518,HfSnRh,-7.8224299789,-0.7120737272000001,0.01525835,-0.0761392906,GGA,P-62m,ABC_hP9_189_f_ad_g:Hf-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Hf-Rh-Sn +mp-2960,HfSnRh,-7.8376883289,-0.7273320772,0.0,-0.0913976406,GGA,P-62c,ABC_hP18_190_h_bf_g:Hf-Rh-Sn,18.0,"Invalid WP multiplicities - ABC_hP18_190_h_b2f_g:Hf-Rh-Sn, expected Hf3Sn3Rh5 to be HfSnRh" +mp-866221,HfSnRh2,-7.94487932,-0.7710351637,0.0,-0.0368109545,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Hf-Rh-Sn +mp-20486,Pu3Ga,-11.166934595,0.2909681581,0.4747769225,0.4747769225,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Pu,4.0,AB3_cP4_221_a_c:Ga-Pu +mp-22327,PuGa3,-6.2220012394,-0.38396964,0.0,-0.0293252069,GGA,R-3m,A3B_hR48_166_2h_2c:Ga-Pu,16.0,"Invalid WP multiplicities - A3B_hR48_166_3h_2c:Ga-Pu, expected Pu2Ga9 to be PuGa3" +mp-21349,PuGa3,-6.2089779775,-0.3709463781,0.0130232619,-0.016301945,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Pu,8.0,A3B_hP8_194_h_c:Ga-Pu +mp-1091393,PuGaNi,-8.1004498522,-0.4084261747,0.0,-0.0742448488,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ni-Pu,9.0,ABC_hP9_189_f_bc_g:Ga-Ni-Pu +mp-636291,PuGa6,-4.8489652679,-0.2151917729,0.0119294557,0.0119294557,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Pu,14.0,"Invalid WP multiplicities - A6B_tP14_125_3g3m_c:Ga-Pu, expected PuGa18 to be PuGa6" +mp-21200,PuGa2,-7.1904457467,-0.415768955,0.0,-0.0372500187,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Pu,3.0,A2B_hP3_191_c_b:Ga-Pu +mp-510173,PuGa4,-5.5940142040000005,-0.31796972,0.0,-0.010794008,GGA,Imma,A4B_oI20_74_aeh_e:Ga-Pu,10.0,A4B_oI20_74_aeh_e:Ga-Pu +mp-1219670,PuGa,-8.587971725,0.0599954513,0.42761298,0.3718221675,GGA,Cmmm,AB_oC4_65_a_c:Ga-Pu,2.0,AB_oC4_65_a_c:Ga-Pu +mp-1219667,PuGa,-8.993889205,-0.3459220287,0.0216955,-0.0340953125,GGA,P4/mmm,AB_tP2_123_a_d:Ga-Pu,2.0,AB_tP2_123_a_d:Ga-Pu +mp-29635,PuGa,-9.015584705,-0.3676175287,0.0,-0.0557908125,GGA,I4/mmm,AB_tI16_139_h_de:Ga-Pu,8.0,AB_tI16_139_h_de:Ga-Pu +mp-581747,PuGa,-8.70684778,-0.0588806037,0.308736925,0.2529461125,GGA,I4/mmm,AB_tI16_139_h_de:Ga-Pu,8.0,AB_tI16_139_h_de:Ga-Pu +mp-3715,CoGeTe,-5.3242314279,-0.3660142468,0.0,-0.0078896556,GGA,Pbca,ABC_oP24_61_c_c_c:Co-Ge-Te,24.0,ABC_oP24_61_c_c_c:Co-Ge-Te +mp-2994,Co2(GeTe)3,-5.0692197437,-0.3797651394,0.0,-0.0294496053,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Co-Ge-Te,32.0,A2B3C3_hR96_148_cf_2f_2f:Co-Ge-Te +mp-607230,Ca3Ga3Rh2,-4.3682753547,-0.6395624238000001,0.0,-0.1402216181,GGA,Pnma,A3B3C2_oP32_62_cd_cd_d:Ca-Ga-Rh,32.0,"Invalid WP multiplicities - A3B3C2_oP32_62_3c4d_3c3d_d:Ca-Ga-Rh, expected Ca11Ga9Rh2 to be Ca3Ga3Rh2" +mp-1185765,Mg2IrAu,-4.2701185225,-0.4418994525,0.0497516441,0.0497516441,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Mg,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Mg +mp-1225943,Gd(AlCr)6,-6.9554824662,0.3112761523,0.5304190428000001,0.5304190428000001,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cr-Gd,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cr-Gd +mp-643271,Gd(Al10Cr)2,-4.6494557128,0.058967495,0.2100526385,0.2100526385,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Gd,46.0,"Invalid WP multiplicities - A20B2C_cF184_227_4c9f13g_d_a:Al-Cr-Gd, expected Gd(Al109Cr)2 to be Gd(Al10Cr)2" +mp-21195,Gd(Al2Cr)4,-6.5652077046,-0.2072908769,0.0183559948,0.0183559948,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Gd,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Gd +mp-862758,PrMgHg2,-2.216478265,-0.4693416313,0.0,-0.111826083,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Pr,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Pr +mp-1224644,GdHoAl6,-5.5689560925,-0.4274578312,0.002230155,0.002230155,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-Gd-Ho,8.0,A6BC_hP8_187_jk_a_d:Al-Gd-Ho +mp-1224918,GdHoAl6,-5.5614882825,-0.4199900213,0.009697965,0.009697965,GGA,P6_3/mmc,A6BC_hP16_194_gh_c_a:Al-Gd-Ho,16.0,A6BC_hP16_194_gh_c_a:Al-Gd-Ho +mp-1184498,Gd3Ho,-11.6871586675,0.01553523,0.01553523,0.01553523,GGA,I4/mmm,A3B_tI8_139_ad_b:Gd-Ho,4.0,A3B_tI8_139_ad_b:Gd-Ho +mp-1184743,GdHo3,-6.9335427625,0.02229445,0.02229445,0.02229445,GGA,I4/mmm,AB3_tI8_139_a_bd:Gd-Ho,4.0,AB3_tI8_139_a_bd:Gd-Ho +mp-1188755,NdAlPd2,-5.5997062931,-0.8813345725,0.0,-0.0165168781,GGA,Pnma,ABC2_oP16_62_c_c_d:Al-Nd-Pd,16.0,ABC2_oP16_62_c_c_d:Al-Nd-Pd +mp-976368,NdAlPd,-5.3689636989,-0.8044286747,0.0,-0.0374518782,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Nd-Pd,9.0,ABC_hP9_189_f_g_bc:Al-Nd-Pd +mp-12734,NdAl3Pd2,-5.2449707533,-0.8508643296,0.0,-0.0672645344,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Nd-Pd,6.0,A3BC2_hP6_191_g_a_c:Al-Nd-Pd +mp-984352,Al2CoOs,-6.968154725,-0.5114455038,0.0052073813,0.0052073813,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Co-Os,4.0,A2BC_cF16_225_c_a_b:Al-Co-Os +mp-1219356,ScAlCu,-5.1391699333,-0.4134193983,0.0107959017,0.0107959017,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cu-Sc,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cu-Sc, expected Sc3(AlCu)2 to be ScAlCu" +mp-1219346,ScAlCu2,-4.8130604675,-0.2439458987,0.16900279,0.0846282944,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Cu-Sc,4.0,AB2C_tP4_123_a_h_b:Al-Cu-Sc +mp-16497,ScAlCu2,-4.9820632575,-0.4129486887,0.0,-0.0843744956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Sc +mp-972884,Sc2AlCu,-5.470195535,-0.3427653575,0.0210065425,0.0210065425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Cu-Sc +mp-862698,Ac2SiAu,-4.79853492,-0.5631474087,0.0,-0.2372086883,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Au-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Au-Si +mp-1215240,ZrTiPd,-7.6322420925,-0.4245506069,0.0448075425,0.0448075425,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Pd-Ti-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Pd-Ti-Zr, expected Zr3(TiPd)2 to be ZrTiPd" +mp-570571,ThMg2,-3.5173225471,0.0208169029,0.0324127371,0.0324127371,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Mg-Th,24.0,"Invalid WP multiplicities - A2B_hP24_194_4f6g4h_3e4f:Mg-Th, expected Th7Mg19 to be ThMg2" +mp-745,ThMg2,-3.5305532767,0.0075861733,0.0191820075,0.0191820075,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Th,6.0,A2B_cF24_227_c_b:Mg-Th +mp-536,ThZn4,-2.777712772,-0.287146234,0.0,-0.0362837243,GGA,I4/mmm,AB4_tI10_139_a_de:Th-Zn,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_d2e:Th-Zn, expected ThZn6 to be ThZn4" +mp-570442,Th6Mg23,-2.7982310607,0.0048582721,0.0186533162,0.0186533162,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mg-Th,29.0,"Invalid WP multiplicities - A23B6_cF116_225_a5d8f_e:Mg-Th, expected Th6Mg95 to be Th6Mg23" +mp-1187406,Th3Zn,-5.8643030525,0.0110265375,0.1289871688,0.1289871688,GGA,I4/mmm,A3B_tI8_139_ad_b:Th-Zn,4.0,A3B_tI8_139_ad_b:Th-Zn +mp-1187054,Th3Mg,-5.9017152125,0.0587484875,0.0630969253,0.0630969253,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Th,4.0,AB3_tI8_139_a_bd:Mg-Th +mp-978964,Th3Mg,-5.8940800525,0.0663836475,0.0707320853,0.0707320853,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Th,4.0,AB3_cP4_221_a_c:Mg-Th +mp-977352,ThMgZn2,-3.1025910975,-0.2191847175,0.0004119247,0.0004119247,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Th-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Th-Zn +mp-7496,ThZn2,-3.5955282867,-0.28441313,0.0,-0.0343712938,GGA,P6/mmm,AB2_hP3_191_a_d:Th-Zn,3.0,AB2_hP3_191_a_d:Th-Zn +mp-1188076,ThMg149,-1.6563150309,-0.0172777929,0.0,-0.0172777929,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Th,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Th, expected ThMg315 to be ThMg149" +mp-1208443,Th4Mg,-5.319957768,0.931184842,0.9346635923,0.9346635923,GGA,Fd-3m,AB4_cF40_227_a_e:Mg-Th,10.0,AB4_cF40_227_a_e:Mg-Th +mp-540743,Th2Zn17,-2.1345690621,-0.2270239111,0.0,-0.0758943142,GGA,R-3m,A2B17_hR57_166_c_cdfh:Th-Zn,19.0,A2B17_hR57_166_c_cdfh:Th-Zn +mp-1201279,Th2Zn17,-2.13260969,-0.2250645389,0.0019593721,-0.0739349421,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Th-Zn,38.0,A2B17_hP38_194_bc_fgjk:Th-Zn +mp-1217351,ThZn11,-1.8614793783,-0.0888928817,0.0908343813,0.0908343813,GGA,Pmmm,AB11_oP12_47_a_dfgijx:Th-Zn,12.0,"Invalid WP multiplicities - AB11_oP12_47_a_dfg2ijx:Th-Zn, expected ThZn13 to be ThZn11" +mp-2387,Th2Zn,-5.519767545,-0.1572808417,0.0,-0.0150742767,GGA,I4/mcm,A2B_tI12_140_h_a:Th-Zn,6.0,A2B_tI12_140_h_a:Th-Zn +mp-979263,ThMg3,-3.0050624425,0.0486121575,0.061657471,0.061657471,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Th,8.0,A3B_hP8_194_h_c:Mg-Th +mp-1025335,Lu(TiGa2)2,-5.1524713771,-0.5204258567,0.0,-0.0010025955,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Lu-Ti,7.0,A4BC2_tI14_139_h_a_d:Ga-Lu-Ti +mp-30232,Tb3SiBr3,-5.0922300364,-1.6654441336,0.0,-0.0161042095,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-Si-Tb,28.0,A3BC3_cI56_214_h_a_g:Br-Si-Tb +mp-30283,Tb4SiBr6,-4.9688439427,-1.9433028145,0.0,-0.0409351655,GGA,Pbam,A6BC4_oP22_55_g2h_a_gh:Br-Si-Tb,22.0,A6BC4_oP22_55_g2h_a_gh:Br-Si-Tb +mp-1218293,SrEuSi4,-5.9948414783,-0.3868802494,0.008106355,0.008106355,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Eu-Si-Sr,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Eu-Si-Sr, expected SrEuSi8 to be SrEuSi4" +mp-1212360,Ho6Ti4Al43,-4.4914838956,-0.3379710281,0.0,-0.0258198059,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-Ti +mp-631491,BaNbTc2,-7.2305420425,0.954847425,1.0196124062,1.0196124062,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Nb-Tc,4.0,ABC2_cF16_225_a_b_c:Ba-Nb-Tc +mp-1183322,Ba3Nb,-3.1788072725,0.7857501925,0.7857501925,0.7857501925,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Nb,4.0,A3B_cF16_225_ac_b:Ba-Nb +mp-1185156,LaCe3,-5.61826895,0.0655496925,0.0655496925,0.0655496925,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-La,4.0,A3B_tI8_139_ad_b:Ce-La +mp-1185604,LaCe3,-5.619862955,0.0639556875,0.0639556875,0.0639556875,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-La,4.0,A3B_cP4_221_c_a:Ce-La +mp-1222945,LaCe4,-5.658181648,0.075491097,0.075491097,0.075491097,GGA,R-3m,A4B_hR15_166_2c_a:Ce-La,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ce-La, expected LaCe6 to be LaCe4" +mp-1222939,LaCeBe26,-4.0025993654,-0.14210541,0.0017838473,0.0017838473,GGA,F432,A26BC_cF112_209_cj_a_b:Be-Ce-La,28.0,A26BC_cF112_209_cj_a_b:Be-Ce-La +mp-1185154,La3Ce,-5.1064313725,0.078846245,0.078846245,0.078846245,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-La,4.0,AB3_tI8_139_a_bd:Ce-La +mp-1222922,LaCe,-5.349140045,0.085408085,0.085408085,0.085408085,GGA,R-3m,AB_hR6_166_a_b:Ce-La,2.0,AB_hR6_166_a_b:Ce-La +mp-862921,PmInRh2,-6.1920578075,-0.6343473594,0.0,-0.2361257592,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:In-Pm-Rh +mp-1187605,Tm2PdAu,-5.2676419725,-0.9162833083,0.0109652112,0.0109652112,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Tm,4.0,ABC2_cF16_225_a_b_c:Au-Pd-Tm +mp-1206374,Zr6Te2Ru,-8.0128507489,-0.5853820704,0.094429019,0.094429019,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Ru-Te-Zr,9.0,AB2C6_hP9_189_a_d_fg:Ru-Te-Zr +mp-1095787,ScAgPd2,-3.5161568325,1.3650403496,2.0197748796,2.0197748796,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Sc +mp-1095857,Sc2AgPd,-3.4292978,1.7400462058,2.3374381925,2.3374381925,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Pd-Sc +mp-867868,Sm2AgIr,-5.7877067175,-0.5106661042,0.0324015482,0.0324015482,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Sm,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Sm +mp-1246292,Cu4As,-4.117759245,0.093429772,0.093429772,0.093429772,GGA,P2_13,AB4_cP20_198_a_ab:As-Cu,20.0,AB4_cP20_198_a_ab:As-Cu +mp-1246684,CuAs,-4.183934269,0.1952282685,0.1952282685,0.1952282685,GGA,C2/m,AB_mC20_12_a2i_d2i:As-Cu,10.0,AB_mC20_12_a2i_d2i:As-Cu +mp-12070,CuAs,-4.3251658775,0.05399666,0.05399666,0.05399666,GGA,P6_3/mmc,AB_hP4_194_c_a:As-Cu,4.0,AB_hP4_194_c_a:As-Cu +mp-504746,Cu5As2,-4.2095055379,0.0496759136,0.0496759136,0.0496759136,GGA,Ibam,A2B5_oI28_72_j_afj:As-Cu,14.0,A2B5_oI28_72_j_afj:As-Cu +mp-10994,TmCuAs2,-5.262181355,-0.7888616292,0.0,-0.0393770487,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Tm,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Tm +mp-1246371,Cu9As4,-4.1633042417,0.1081829621,0.1081829621,0.1081829621,GGA,P-43m,A4B9_cP52_215_ei_3efgi:As-Cu,52.0,"Invalid WP multiplicities - A4B9_cP52_215_ei_4e2f3gi:As-Cu, expected Cu29As8 to be Cu9As4" +mp-1245680,Cu3As,-4.187630455,0.0515541488,0.0515541488,0.0515541488,GGA,Pmmn,AB3_oP8_59_a_be:As-Cu,8.0,AB3_oP8_59_a_be:As-Cu +mp-7634,Cu3As,-4.1711288167,0.0680557871,0.0680557871,0.0680557871,GGA,P-3c1,AB3_hP24_165_f_bdg:As-Cu,24.0,AB3_hP24_165_f_bdg:As-Cu +mp-8066,Cu3As,-4.1596547688,0.079529835,0.079529835,0.079529835,GGA,P-3c1,AB3_hP24_165_f_adg:As-Cu,24.0,AB3_hP24_165_f_adg:As-Cu +mp-1184017,Cu3As,-4.190511795,0.0486728088,0.0486728088,0.0486728088,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Cu,8.0,AB3_hP8_194_c_h:As-Cu +mp-1966,Cu3As,-4.2158629303,0.0233216734,0.0233216734,0.0233216734,GGA,I-43d,AB3_cI64_220_c_e:As-Cu,32.0,AB3_cI64_220_c_e:As-Cu +mp-1184008,Cu3As,-4.1966247775,0.0425598262,0.0425598262,0.0425598262,GGA,Pm-3m,AB3_cP4_221_a_c:As-Cu,4.0,AB3_cP4_221_a_c:As-Cu +mp-1246900,Cu3As,-4.10031278,0.1388718237,0.1388718237,0.1388718237,GGA,Fm-3m,AB3_cF16_225_a_bc:As-Cu,4.0,AB3_cF16_225_a_bc:As-Cu +mp-1245668,Cu2As3,-4.260448532,0.174705179,0.174705179,0.174705179,GGA,P-3m1,A3B2_hP5_164_ad_d:As-Cu,5.0,A3B2_hP5_164_ad_d:As-Cu +mp-21859,CuAs2,-4.3879447533,0.0845364067,0.0845364067,0.0845364067,GGA,Pnnm,A2B_oP6_58_g_a:As-Cu,6.0,A2B_oP6_58_g_a:As-Cu +mp-1245797,CuAs2,-4.2359760067,0.2365051533,0.2365051533,0.2365051533,GGA,I4/mcm,A2B_tI12_140_h_a:As-Cu,6.0,A2B_tI12_140_h_a:As-Cu +mp-1245811,CuAs2,-4.32102518,0.15145598,0.15145598,0.15145598,GGA,Fm-3m,A2B_cF12_225_c_a:As-Cu,3.0,A2B_cF12_225_c_a:As-Cu +mp-633403,Cu3As4,-4.2043803407,0.2147758921,0.2147758921,0.2147758921,GGA,Immm,A4B3_oI28_71_egn_fn:As-Cu,14.0,A4B3_oI28_71_egn_fn:As-Cu +mp-1181754,Cu3As4,-4.1068215029,0.31233473,0.31233473,0.31233473,GGA,Immm,A4B3_oI28_71_egn_fn:As-Cu,14.0,A4B3_oI28_71_egn_fn:As-Cu +mp-7474,Cu2As,-4.26335307,0.022490845,0.022490845,0.022490845,GGA,P4/nmm,AB2_tP6_129_c_ac:As-Cu,6.0,AB2_tP6_129_c_ac:As-Cu +mp-1093847,Ba2PdAu,-2.4110028875,0.6619255350000001,1.2950930425,1.2950930425,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ba-Pd,4.0,AB2C_oI8_71_a_e_b:Au-Ba-Pd +mp-1224190,Ho2As7Rh12,-6.885911209,-0.6882759226,0.0,-0.0558377951,GGA,P-3,A7B2C12_hP21_147_ag_d_2g:As-Ho-Rh,21.0,A7B2C12_hP21_147_ag_d_2g:As-Ho-Rh +mp-977357,Ta2ReRu,-11.73553753,-0.3769162838,0.0,-0.1172072025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Re-Ru-Ta +mp-1220468,Nb6SnTe8,-6.580723774,-0.5964671579,0.0617034717,0.0617034717,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Sn-Te,15.0,A6BC8_hP15_147_g_a_dg:Nb-Sn-Te +mp-1212919,Dy4CdPt,-4.8416261458,-0.6047644058,0.0,-0.0269800683,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Dy-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Dy-Pt +mp-1183773,DyCdPt2,-5.2422199775,-0.8242341675,0.0117173397,0.0117173397,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Dy-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Dy-Pt +mp-1207178,Th2AsSe2,-5.230572688,0.0651588841,1.8573042662,1.8573042662,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-Se-Th,5.0,AB2C2_tP5_123_a_g_g:As-Se-Th +mp-1019357,ThAsSe,-6.7789627133,-1.5893333358,0.0,-0.0424488712,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Se-Th,6.0,ABC_tP6_129_a_c_c:As-Se-Th +mp-1183747,Ce2SnHg,-4.48410502,-0.4392473875,0.0422611607,0.0422611607,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Hg-Sn,4.0,A2BC_cF16_225_c_a_b:Ce-Hg-Sn +mp-2647077,NaCdBi,-2.2787720817,-0.2501373539,0.0,-0.0387940283,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Cd-Na,12.0,ABC_oP12_62_c_c_c:Bi-Cd-Na +mp-1205985,Zr6Te2Pt,-7.7824220189,-0.7108721426,0.0634642024,0.0634642024,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Pt-Te-Zr,9.0,AB2C6_hP9_189_a_d_fg:Pt-Te-Zr +mp-1207011,ScInNi4,-5.776149875,-0.4086999492,0.0,-0.0689989719,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Ni-Sc,6.0,AB4C_cF24_216_a_e_c:In-Ni-Sc +mp-13416,Sc2InNi2,-5.920029772,-0.524650712,0.0,-0.038950808,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Sc,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Sc +mp-21301,ScInNi2,-5.6056824775,-0.4445759288,0.0,-0.0134369044,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-Sc,4.0,AB2C_cF16_225_a_c_b:In-Ni-Sc +mp-603576,Sc5(In2Ni)2,-5.2895701945,-0.3596289395,0.1149579555,0.1149579555,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Ni-Sc,22.0,"Invalid WP multiplicities - A4B2C5_oP22_55_5g_g_2b3h:In-Ni-Sc, expected Sc4In5Ni to be Sc5(In2Ni)2" +mp-865117,NaErTl2,-2.87267707,-0.2187944708,0.0,-0.0087134662,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Na-Tl +mp-866274,CeCdHg2,-2.2115719325,-0.3457370212,0.0,-0.054564338,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ce-Hg,4.0,ABC2_cF16_225_a_b_c:Cd-Ce-Hg +mp-985438,Ce2CdHg,-3.466177255,-0.1929901462,0.0453866456,0.0453866456,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ce-Hg,4.0,AB2C_cF16_225_a_c_b:Cd-Ce-Hg +mp-867201,CaInHg2,-1.7300750625,-0.3889139775,0.0,-0.017698675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-In,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-In +mp-1096751,Ca2InHg,-0.7304182,1.0362227638,1.547064555,1.547064555,GGA,I4/mmm,A2BC_tI8_139_e_a_b:Ca-Hg-In,4.0,A2BC_tI8_139_e_a_b:Ca-Hg-In +mp-1183598,Ca2InHg,-2.27480112,-0.5081601562,0.002681635,0.002681635,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-In,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-In +mp-977369,HoMgHg2,-2.14876242,-0.4512500075,0.0,-0.1005742175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Mg,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Mg +mp-1207538,Zn17Co3,-2.2223598562,-0.0853301184,0.0123516012,0.0123516012,GGA,P6_2,A3B17_hP60_171_ac_b8c:Co-Zn,60.0,A3B17_hP60_171_ac_b8c:Co-Zn +mp-971948,Zn3Co,-2.7587688625,-0.0368817063,0.0505230081,0.0505230081,GGA,I4/mmm,AB3_tI8_139_a_bd:Co-Zn,4.0,AB3_tI8_139_a_bd:Co-Zn +mp-1187993,Zn3Co,-2.773857825,-0.0519706688,0.0354340456,0.0354340456,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Zn,8.0,AB3_hP8_194_c_h:Co-Zn +mp-981215,Zn3Co,-2.7767545275,-0.0548673713,0.0325373431,0.0325373431,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Zn,4.0,AB3_cP4_221_a_c:Co-Zn +mp-1215609,ZnGa11Co4,-4.2056061906,-0.2679767508,0.0,-0.0117224478,GGA,P2/m,A4B11C_mP16_10_mn_abg2o_h:Co-Ga-Zn,16.0,"Invalid WP multiplicities - A4B11C_mP16_10_mn_abc4o_f:Co-Ga-Zn, expected ZnGa19Co4 to be ZnGa11Co4" +mp-1215431,ZnCo2,-5.1387223833,0.0200706833,0.058917223,0.058917223,GGA,P-3m1,A2B_hP3_164_d_a:Co-Zn,3.0,A2B_hP3_164_d_a:Co-Zn +mp-30568,Zn13Co,-1.7346048693,-0.0571059604,0.0,-0.0022287664,GGA,C2/m,AB13_mC28_12_a_c2i2j:Co-Zn,14.0,AB13_mC28_12_a_c2i2j:Co-Zn +mp-1192361,Zn11Co2,-2.2581347008,-0.0986104469,0.0,-0.012750338,GGA,I-43m,A2B11_cI52_217_c_ceg:Co-Zn,26.0,A2B11_cI52_217_c_ceg:Co-Zn +mp-1097669,ZnGaCo2,-2.576408965,2.0497098406,2.22704007,2.219846121,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Ga-Zn,4.0,A2BC_oI8_71_e_a_b:Co-Ga-Zn +mp-1187911,ZnGaCo2,-4.803449035,-0.1773302294,0.0,-0.007193949,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Zn +mp-1187951,ZnCo3,-5.5989503,0.0472239488,0.0763588535,0.0763588535,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-Zn,4.0,A3B_tI8_139_ad_b:Co-Zn +mp-971744,ZnCo3,-5.599602695,0.0465715538,0.0757064585,0.0757064585,GGA,Fm-3m,A3B_cF16_225_ac_b:Co-Zn,4.0,A3B_cF16_225_ac_b:Co-Zn +mp-1215897,Zn53Co7,-2.031710015,-0.0896327501,0.0,-0.0097454382,GGA,P2,A7B53_mP60_3_a3e_2abcd24e:Co-Zn,60.0,"Invalid WP multiplicities - A7B53_mP60_3_a6e_2abcd48e:Co-Zn, expected Zn101Co13 to be Zn53Co7" +mp-1187978,ZnCo,-4.147384205,0.0366464975,0.094916307,0.094916307,GGA,P-6m2,AB_hP2_187_a_d:Co-Zn,2.0,AB_hP2_187_a_d:Co-Zn +mp-1184596,Ho2AlCd,-3.8090376325,-0.3507168,0.0153700866,0.0153700866,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Ho,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Ho +mp-865043,MgInPd2,-4.3502919325,-0.6723600825,0.0,-0.053712055,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:In-Mg-Pd +mp-1097523,Mg2InPd,-1.544039185,1.238992225,1.6405554286,1.6405554286,GGA,Immm,AB2C_oI8_71_a_e_b:In-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:In-Mg-Pd +mp-11539,SmAl3Pd2,-5.2427765417,-0.8569303342,0.0,-0.0617948523,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Pd-Sm,6.0,A3B2C_hP6_191_g_c_a:Al-Pd-Sm +mp-1102212,SmAlPd,-5.3859256325,-0.8379110408,0.0,-0.0496203698,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pd-Sm,12.0,ABC_oP12_62_c_c_c:Al-Pd-Sm +mp-27827,Rb2TiCl6,-4.5396698811,-2.2121387565,0.0,-0.0582075922,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Ti,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Ti +mp-974795,Rb3Ti,-1.80905435,0.9002192085,0.9002192085,0.9002192085,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Ti,4.0,A3B_tI8_139_ad_b:Rb-Ti +mp-1186914,Rb3Ti,-1.816055835,0.8932177235000001,0.8932177235000001,0.8932177235000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rb-Ti,8.0,A3B_hP8_194_h_c:Rb-Ti +mp-1186881,Rb3Ti,-1.7938680575,0.915405501,0.915405501,0.915405501,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Ti,4.0,A3B_cP4_221_c_a:Rb-Ti +mp-23299,RbCl,-3.59809138,-2.1835560138,0.0613164999999999,-2.1835560138,GGA,Pm-3m,AB_cP2_221_a_b:Cl-Rb,2.0,AB_cP2_221_a_b:Cl-Rb +mp-23295,RbCl,-3.65940788,-2.2448725137,0.0,-2.2448725137,GGA,Fm-3m,AB_cF8_225_a_b:Cl-Rb,2.0,AB_cF8_225_a_b:Cl-Rb +mp-28282,RbTiCl3,-4.913430387,-2.0291031732,0.0,-0.0223865675,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Rb-Ti,10.0,A3BC_hP10_194_h_c_a:Cl-Rb-Ti +mp-3108,Lu(SiRh)2,-7.115245566,-1.095205102,0.0,-0.1442077775,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Rh-Si +mp-22801,LuSiRh,-6.8349323967,-1.0647402567,0.0,-0.0577236567,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Rh-Si,12.0,ABC_oP12_62_c_c_c:Lu-Rh-Si +mp-20047,Pu(SiPd)2,-7.809364289999999,-0.7137166880000001,0.0,-0.139576998,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Pd-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Pd-Pu-Si +mp-6969,Sc(CuSi)2,-5.54579425,-0.469490549,0.0,-0.0249952875,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Sc-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Sc-Si +mp-1104960,Sc3(CuSi)4,-5.7829373073,-0.5924367514000001,0.0,-0.0271862452,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Sc-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Sc-Si +mp-20083,ScCuSi,-5.9214509533,-0.6357863517,0.0092641189,-0.0493555628,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Sc-Si,12.0,ABC_oP12_62_c_c_c:Cu-Sc-Si +mp-15322,ScCuSi,-5.9307150722,-0.6450504706,0.0,-0.0586196817,GGA,P-62m,ABC_hP9_189_f_g_bc:Cu-Sc-Si,9.0,ABC_hP9_189_f_g_bc:Cu-Sc-Si +mp-5057,Nd(SiAu)2,-5.047592504,-0.6142830055,0.0,-0.114365308,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Nd-Si +mp-1220319,Nd5Si9Au,-5.732896629,-0.6700645335000001,0.0,-0.0818160733,GGA,Imm2,AB5C9_oI60_44_2a_5a5b_8a10b:Au-Nd-Si,,AB5C9_oI60_44_2a_5a5b_8a10b:Au-Nd-Si +mp-862733,Pm2ZnSi,-4.47438884,-0.4278522687,0.0,-0.1640103671,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Si-Zn,4.0,A2BC_cF16_225_c_a_b:Pm-Si-Zn +mp-863029,ErCl3,-5.1973784112,-2.6690462137,0.0,-0.9872732,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Er,8.0,A3B_hP8_194_h_c:Cl-Er +mp-651358,Ba2ErCl7,-4.9999292465,-2.8653867155,0.0,-0.016825082,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Er,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_7e_26e_e:Ba-Cl-Er, expected Ba7ErCl26 to be Ba2ErCl7" +mp-984715,Ba3Er,-2.3303697025,0.250791205,0.250791205,0.250791205,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Er,4.0,A3B_tI8_139_ad_b:Ba-Er +mp-1183359,Ba3Er,-2.347380295,0.2337806125,0.2337806125,0.2337806125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Er,8.0,A3B_hP8_194_h_c:Ba-Er +mp-861968,ErCl2,-4.9972947283,-2.2423640183,0.130121505,0.130121505,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Er,6.0,A2B_tP6_136_f_a:Cl-Er +mp-861884,AcGaTe2,-4.51306328,-1.1540925758,0.0,-0.175106825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ga-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Ga-Te +mp-1220200,NdAsPd,-5.5705725967,-0.7015233808,0.4810815733,0.4185361361,GGA,P-3m1,ABC_hP6_164_d_c_d:As-Nd-Pd,6.0,ABC_hP6_164_d_c_d:As-Nd-Pd +mp-8950,NdAsPd,-6.0514116367,-1.1823624208,0.0002425333,-0.0623029039,GGA,P6_3mc,ABC_hP6_186_b_a_b:As-Nd-Pd,6.0,ABC_hP6_186_b_a_b:As-Nd-Pd +mp-8949,NdAsPd,-6.05165417,-1.1826049542,0.0,-0.0625454372,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Nd-Pd,6.0,ABC_hP6_194_c_a_d:As-Nd-Pd +mp-1209852,NdAs2Pd3,-5.766192775,-0.8285211629,0.0,-0.0506357667,GGA,C2/m,A2BC3_mC36_12_3i_ai_d4i:As-Nd-Pd,,A2BC3_mC36_12_3i_ai_c4i:As-Nd-Pd +mp-12060,Nd(AsPd)2,-5.740031046,-0.8508014735,0.0250095831,0.0250095831,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Nd-Pd,5.0,A2BC2_tI10_139_e_a_d:As-Nd-Pd +mp-1096661,Hf2NbIr,-6.1534320375,3.5600972825,4.1094950503,4.1094950503,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Nb,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Nb +mp-1096428,Ta2NiOs,-5.98415144,4.1966134025,4.5289265464,4.5289265464,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Os-Ta,4.0,ABC2_oI8_71_a_b_e:Ni-Os-Ta +mp-1216530,TlPb,-3.041445965,-0.0038008567,0.0,-0.0038008567,GGA,R-3m,AB_hR6_166_a_b:Pb-Tl,2.0,AB_hR6_166_a_b:Pb-Tl +mp-864741,Yb2TlPb,-2.8233875475,-0.5347608533,0.0,-0.016250355,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pb-Tl-Yb,,ABC2_cF16_225_a_b_c:Pb-Tl-Yb +mp-983235,Tl3Pb,-2.6885813025000003,0.011562825,0.0134632533,0.0134632533,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Tl,8.0,AB3_hP8_194_c_h:Pb-Tl +mp-1185052,LaYbRh2,-5.9507109075,-0.6496531263,0.023593005,0.023593005,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Rh-Yb,,AB2C_cF16_225_a_c_b:La-Rh-Yb +mp-1183677,CaCeIn2,-3.7638157525,-0.4033016287,0.0,-0.0167488325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-In,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-In +mp-1187990,Yb3Ho,-2.17333998,0.1269684475,0.1269684475,0.1269684475,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Yb,,AB3_hP8_194_c_h:Ho-Yb +mp-1187616,YbHoHg2,-2.2485812025,-0.5662367325000001,0.0,-0.0043240825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Yb,,A2BC_cF16_225_c_a_b:Hg-Ho-Yb +mp-1187675,YbHo3,-3.70675916,0.1149495625,0.1149495625,0.1149495625,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Yb,,A3B_tI8_139_ad_b:Ho-Yb +mp-865940,LiThAu2,-4.5749960275,-0.6073597483000001,0.0,-0.0070735567,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Th,4.0,A2BC_cF16_225_c_a_b:Au-Li-Th +mp-977239,Li3Th,-2.868956905,0.4161998075,0.4161998075,0.4161998075,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Th,4.0,A3B_cF16_225_ac_b:Li-Th +mp-1183474,CaAcAu2,-3.9704222975,-0.8017875756,0.0,-0.1668512108,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Ca,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Ca +mp-1184740,HoErHg2,-2.9184746725,-0.47910257,0.0064067575,0.0064067575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Ho,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Ho +mp-977401,NbGaRu2,-8.4108760625,-0.4913245269,0.0,-0.2362392594,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Ga-Nb-Ru +mp-1203832,Eu(Ga4Ir)2,-5.2172940764,-0.4755996818,0.0,-0.0032326829,GGA,Pbam,AB8C2_oP44_55_g_ad2g5h_2g:Eu-Ga-Ir,44.0,AB8C2_oP44_55_g_ad2g5h_2g:Eu-Ga-Ir +mp-609413,Eu2Ga3Ir,-7.0303654508,-0.6242444762,0.0,-0.0742590829,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Eu-Ga-Ir,12.0,A2B3C_hP12_194_f_h_a:Eu-Ga-Ir +mp-542930,Eu2(Ga3Ir)3,-5.910079475,-0.6042101648,0.0,-0.084827299,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Eu-Ga-Ir,28.0,A2B9C3_oC56_63_g_cfgh_ae:Eu-Ga-Ir +mp-973734,Lu2InHg,-3.4404175,-0.4161012162,0.012310015,0.012310015,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Lu,4.0,ABC2_cF16_225_a_b_c:Hg-In-Lu +mp-1187049,Th3Pb,-6.6504077825,-0.1618523275,0.0383425222,0.0383425222,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Th,4.0,AB3_cP4_221_a_c:Pb-Th +mp-19889,ThPb,-5.845299185,-0.282046525,0.0522068605,0.0522068605,GGA,P4/mmm,AB_tP2_123_a_d:Pb-Th,2.0,AB_tP2_123_a_d:Pb-Th +mp-672388,ThPb,-5.8064539625,-0.2432013025,0.091052083,0.091052083,GGA,I4_1/amd,AB_tI8_141_a_b:Pb-Th,4.0,AB_tI8_141_a_b:Pb-Th +mp-21381,ThPb3,-4.8747846875,-0.2368348225,0.0,-0.0766789428,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Th,4.0,A3B_cP4_221_c_a:Pb-Th +mp-1106365,Th5Pb4,-6.1247774583,-0.355901955,0.0,-0.0858271397,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Pb-Th,18.0,A4B5_hP18_193_bg_dg:Pb-Th +mp-867418,ThPbAu2,-4.960342415,-0.541775085,0.0,-0.0023657775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pb-Th,4.0,A2BC_cF16_225_c_a_b:Au-Pb-Th +mp-1106281,Th5Pb3,-6.2810142356,-0.2551101781,0.0451820964,0.0451820964,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Th,16.0,A3B5_hP16_193_g_dg:Pb-Th +mp-1080814,Lu2InCu2,-4.392168334,-0.393768712,0.0,-0.063184955,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Lu,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Lu +mp-4972,LuInCu2,-4.1833017125,-0.315539815,0.0,-0.0300411911,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-In-Lu +mp-1219458,SbTeRh,-5.5830248708,-0.7041532031000001,0.0,-0.0681370146,GGA,P2_13,ABC_cP12_198_a_a_a:Rh-Sb-Te,12.0,ABC_cP12_198_a_a_a:Rh-Sb-Te +mp-1208560,TaTlCl6,-4.9099667831,-1.746011691,0.0,-0.0229905044,GGA,C2/c,A6BC_mC32_15_3f_c_e:Cl-Ta-Tl,16.0,A6BC_mC32_15_3f_a_e:Cl-Ta-Tl +mp-1208444,Ta3Tl2Cl9,-5.6788543418,-1.6120365473,0.0,-0.0271998483,GGA,C2/m,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Ta-Tl,28.0,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Ta-Tl +mp-1183181,AcPrMg2,-3.1016509825,-0.0759907669,0.0179422125,0.0179422125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Ac-Mg-Pr +mp-1183239,AcPr3,-4.5851275275,0.0308455406,0.0308455406,0.0308455406,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-Pr,4.0,AB3_tI8_139_a_bd:Ac-Pr +mp-1183266,AcPr3,-4.57071029,0.0452627781,0.0452627781,0.0452627781,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Pr,8.0,AB3_hP8_194_c_h:Ac-Pr +mp-985302,Ac3Pr,-4.2453924825,0.0407152119,0.0407152119,0.0407152119,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Pr,8.0,A3B_hP8_194_h_c:Ac-Pr +mp-1210297,Pr23Cd4Pt7,-5.1742833059,-0.5816266987,0.0,-0.0014514485,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Pt,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Pr-Pt +mp-1209686,Pr4CdPt,-4.8740763767,-0.52113536,0.0,-0.0049579352,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Pr-Pt,24.0,AB4C_cF96_216_e_efg_e:Cd-Pr-Pt +mp-1097195,SrCaCd2,-0.3491060825,1.0361121308,1.3753326625,1.3753326625,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Cd-Sr,4.0,AB2C_oI8_71_a_e_b:Ca-Cd-Sr +mp-1187169,SrCa3,-1.907840845,0.0187324283,0.0187324283,0.0187324283,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Sr,4.0,A3B_tI8_139_ad_b:Ca-Sr +mp-1187176,SrCa3,-1.89678485,0.0297884233,0.0297884233,0.0297884233,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Sr,8.0,A3B_hP8_194_h_c:Ca-Sr +mp-1187151,SrCa3,-1.9078298725,0.0187434008,0.0187434008,0.0187434008,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Sr,4.0,A3B_cP4_221_c_a:Ca-Sr +mp-1187155,SrCa3,-1.8914697625,0.0351035108,0.0351035108,0.0351035108,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Sr,4.0,A3B_cF16_225_ac_b:Ca-Sr +mp-1218357,SrCa,-1.80662244,0.0409242267,0.0409242267,0.0409242267,GGA,R-3m,AB_hR6_166_a_b:Ca-Sr,2.0,AB_hR6_166_a_b:Ca-Sr +mp-1218350,SrCa,-1.81090381,0.0366428567,0.0366428567,0.0366428567,GGA,P-6m2,AB_hP2_187_a_d:Ca-Sr,2.0,AB_hP2_187_a_d:Ca-Sr +mp-1187110,Sr3Ca,-1.75625882,0.01226124,0.01226124,0.01226124,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Sr,4.0,AB3_tI8_139_a_bd:Ca-Sr +mp-1187116,Sr3Ca,-1.7371937438,0.0313263162,0.0313263162,0.0313263162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Sr,8.0,AB3_hP8_194_c_h:Ca-Sr +mp-1187105,Sr3Ca,-1.7580395275,0.0104805325,0.0104805325,0.0104805325,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Sr,4.0,AB3_cP4_221_a_c:Ca-Sr +mp-1187107,Sr3Ca,-1.74017665,0.02834341,0.02834341,0.02834341,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-Sr,4.0,AB3_cF16_225_a_bc:Ca-Sr +mp-1006574,Rb(Zr3Te4)4,-6.498194511,-1.193165686,0.0,-0.0482219389,GGA,P-6,AB16C12_hP58_174_h_abg2ijk3l_jk3l:Rb-Te-Zr,58.0,"Invalid WP multiplicities - AB16C12_hP58_174_h_ab2g4i3j3k11l_3j3k11l:Rb-Te-Zr, expected Rb(Zr6Te7)7 to be Rb(Zr3Te4)4" +mp-541953,Rb4Zr3Te16,-4.4829039267,-1.0108112105,0.0,-0.026434882,GGA,C2/c,A4B16C3_mC92_15_2f_8f_ef:Rb-Te-Zr,46.0,A4B16C3_mC92_15_2f_8f_ef:Rb-Te-Zr +mp-29603,Rb2ZrTe3,-4.5542606408,-1.2311462317,0.0,-0.0812202525,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Rb-Te-Zr,24.0,A2B3C_mP24_14_2e_3e_e:Rb-Te-Zr +mp-1186889,Rb3Zr,-1.84713001,1.0251957019,1.0251957019,1.0251957019,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Zr,4.0,A3B_tI8_139_ad_b:Rb-Zr +mp-1186880,Rb3Zr,-1.8353915025,1.0369342094,1.0369342094,1.0369342094,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Zr,4.0,A3B_cP4_221_c_a:Rb-Zr +mp-1186882,Rb3Zr,-1.8503180325,1.0220076794,1.0220076794,1.0220076794,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Zr,4.0,A3B_cF16_225_ac_b:Rb-Zr +mp-1210096,Pr(InPt)2,-5.260739254,-0.7754312830000001,0.0,-0.0098482669,GGA,P2_1/m,A2BC2_mP20_11_4e_2e_4e:In-Pr-Pt,20.0,A2BC2_mP20_11_4e_2e_4e:In-Pr-Pt +mp-1077228,PrInPt4,-6.084686005,-0.7818322108,0.0,-0.0421706775,GGA,F-43m,ABC4_cF24_216_a_c_e:In-Pr-Pt,6.0,ABC4_cF24_216_a_c_e:In-Pr-Pt +mp-31108,Pr12InPt7,-5.9942294027,-0.8632051012,0.0,-0.0090088782,GGA,I4/mcm,AB12C7_tI80_140_c_ghm_ahl:In-Pr-Pt,40.0,"Invalid WP multiplicities - AB12C7_tI80_140_c_g3h4m_ah2l:In-Pr-Pt, expected Pr40InPt11 to be Pr12InPt7" +mp-1209726,Pr5(In2Pt)2,-5.0205456159,-0.7429519491000001,0.0,-0.0188410791,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:In-Pr-Pt,22.0,A4B5C2_oP22_55_2g_b2h_g:In-Pr-Pt +mp-1206016,PrInPt,-5.4704327044,-0.9358584361,0.0,-0.1086617389,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Pr-Pt,9.0,ABC_hP9_189_f_g_bc:In-Pr-Pt +mp-1211193,PrIn3Pt,-4.3949389032,-0.5735208503,0.0336079601,0.0336079601,GGA,Pm-3n,A3BC_cP40_223_k_ac_e:In-Pr-Pt,40.0,A3BC_cP40_223_k_ac_e:In-Pr-Pt +mp-1095958,CaSnHg2,-0.742307735,0.9133253812,1.3139660567,1.3139660567,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Hg-Sn,4.0,AB2C_oI8_71_a_e_b:Ca-Hg-Sn +mp-1019104,CaSnHg,-2.6211624717,-0.5148784383,0.0,-0.0264091075,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ca-Hg-Sn,6.0,ABC_hP6_186_a_b_b:Ca-Hg-Sn +mp-1227033,CaSnHg,-2.5442662733,-0.43798224,0.0768961983,0.0504870908,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-Hg-Sn,3.0,ABC_hP3_187_b_c_e:Ca-Hg-Sn +mp-1019087,CaSnHg,-2.5524299083,-0.446145875,0.0687325633,0.0423234558,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Hg-Sn,6.0,ABC_hP6_194_a_c_d:Ca-Hg-Sn +mp-866229,Ca2SnHg,-2.7421377700000003,-0.661024775,0.0,-0.0609069337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Hg-Sn,4.0,A2BC_cF16_225_c_a_b:Ca-Hg-Sn +mp-20538,HoMgIn,-3.3539414489,-0.3758172322,0.0,-0.0767229562,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-In-Mg,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Ho-In-Mg, expected Ho3Mg3In5 to be HoMgIn" +mp-977392,Ho2MgIn,-3.685130415,-0.305935035,0.0,-0.0170306229,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-In-Mg,4.0,A2BC_cF16_225_c_a_b:Ho-In-Mg +mp-1185064,LaYbMg2,-2.5113039725,-0.0922601012,0.0015484387,0.0015484387,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Yb,,AB2C_cF16_225_a_c_b:La-Mg-Yb +mp-982730,Ho2ZnIr,-5.47175968,-0.6560107975,0.0233324796,0.0233324796,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Zn +mp-1096148,Ba2ZnHg,-0.302892795,1.0474506688,1.3994173933,1.3994173933,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Zn +mp-1183301,Ba2ZnHg,-1.698621895,-0.3482784312,0.0036882933,0.0036882933,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Ba-Hg-Zn +mp-1228314,Ba3ZnHg10,-1.0847375821,-0.3666324336,0.0187738774,0.0187738774,GGA,Pmm2,A3B10C_oP28_25_adef_bce2fgh2i_e:Ba-Hg-Zn,28.0,A3B10C_oP28_25_adef_bce2fgh2i_e:Ba-Hg-Zn +mp-1018178,Ba2Zn,-1.8436927333,-0.14446157,0.0,-0.0328757167,GGA,I4/mmm,A2B_tI6_139_e_a:Ba-Zn,3.0,A2B_tI6_139_e_a:Ba-Zn +mp-303,BaZn5,-1.5907225767000002,-0.2211070783,0.0,-0.0383178919,GGA,Cmcm,AB5_oC24_63_c_ceg:Ba-Zn,12.0,"Invalid WP multiplicities - AB5_oC24_63_c_c2eg:Ba-Zn, expected BaZn7 to be BaZn5" +mp-902,BaZn,-1.756738055,-0.16737878,0.0035235767,0.0035235767,GGA,Pm-3m,AB_cP2_221_a_b:Ba-Zn,2.0,AB_cP2_221_a_b:Ba-Zn +mp-1196499,Ba20Zn5Hg99,-0.8976345819,-0.2948718966,0.0109986009,0.0109986009,GGA,F-43m,A20B99C5_cF496_216_2efg_c5ef4hi_ae:Ba-Hg-Zn,124.0,A20B99C5_cF496_216_2efg_c5ef4hi_ae:Ba-Hg-Zn +mp-672225,BaZn13,-1.4813042018,-0.1744726396,0.0,-0.0797124632,GGA,Fm-3c,AB13_cF112_226_a_bi:Ba-Zn,28.0,AB13_cF112_226_a_bi:Ba-Zn +mp-30435,BaZn2,-1.6768305300000002,-0.1973431433,0.0,-0.0017845678,GGA,Imma,AB2_oI12_74_e_h:Ba-Zn,6.0,AB2_oI12_74_e_h:Ba-Zn +mp-1096468,LiZn2Cu,-1.159984095,0.9719200942,1.1269334427,1.1269334427,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Li-Zn,4.0,ABC2_oI8_71_a_b_e:Cu-Li-Zn +mp-1096722,Li2ZnCu,-1.2544516525,1.0397473508,1.1760473119,1.1760473119,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Li-Zn,4.0,AB2C_oI8_71_a_e_b:Cu-Li-Zn +mp-1222617,Li2ZnCu3,-3.02268117,-0.1268129444,0.0,-0.0308003067,GGA,R-3m,A3B2C_hR18_166_d_c_a:Cu-Li-Zn,6.0,A3B2C_hR18_166_d_c_a:Cu-Li-Zn +mp-1097463,LiZnCu2,-1.530538805,1.3112311492,1.429029615,1.429029615,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Li-Zn,4.0,A2BC_oI8_71_e_a_b:Cu-Li-Zn +mp-1185430,LiZnCu2,-2.948595175,-0.1068252208,0.010973245,0.010973245,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Li-Zn,4.0,A2BC_cF16_225_c_a_b:Cu-Li-Zn +mp-1078240,Si6Ni3Au,-5.5965843710000005,-0.279964349,0.037462291,0.037462291,GGA,R-3m,AB3C6_hR30_166_a_bc_3c:Au-Ni-Si,10.0,AB3C6_hR30_166_a_bc_3c:Au-Ni-Si +mp-1103787,Si7(Ni2Au)2,-5.4980155123,-0.2945126715,0.0210765183,0.0210765183,GGA,C2/m,A2B4C7_mC26_12_i_2i_a3i:Au-Ni-Si,13.0,A2B4C7_mC26_12_i_2i_a3i:Au-Ni-Si +mp-645694,Ce3LuSe6,-6.4461955927,-2.1166269077,0.0,-0.0068404114,GGA,Pnnm,A3BC6_oP40_58_3g_ac_6g:Ce-Lu-Se,40.0,"Invalid WP multiplicities - A3BC6_oP40_58_8g_ac_24g:Ce-Lu-Se, expected Ce8LuSe24 to be Ce3LuSe6" +mp-1006323,CeLu3,-4.8208626625,0.0531225163,0.0531225163,0.0531225163,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Lu,8.0,AB3_hP8_194_c_h:Ce-Lu +mp-867795,ScNbTc2,-9.5440017075,-0.2552386988,0.0,-0.0264630231,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Sc-Tc,4.0,ABC2_cF16_225_a_b_c:Nb-Sc-Tc +mp-975452,Hg3Rh,-1.8616690075,0.2071682338,0.2071682338,0.2071682338,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Rh,4.0,A3B_tI8_139_ad_b:Hg-Rh +mp-1184727,Hg3Rh,-1.8444368512,0.22440039,0.22440039,0.22440039,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Rh,8.0,A3B_hP8_194_h_c:Hg-Rh +mp-11870,Hg2Rh,-2.6534398567,0.00378301,0.00378301,0.00378301,GGA,P4/mmm,A2B_tP3_123_e_a:Hg-Rh,3.0,A2B_tP3_123_e_a:Hg-Rh +mp-1183060,AcHgRh2,-5.1018678975,-0.3135001194,0.0,-0.1747250133,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Hg-Rh,4.0,ABC2_cF16_225_a_b_c:Ac-Hg-Rh +mp-1361615,Ba5Ga6,-2.9325707205,-0.4086206445,0.0,-0.0011710549,GGA,Pm,A5B6_mP22_6_3a3b2c_6c:Ba-Ga,22.0,"Invalid WP multiplicities - A5B6_mP22_6_3a3b2c_12c:Ba-Ga, expected Ba5Ga12 to be Ba5Ga6" +mp-30430,Ba10Ga,-1.9647373411,0.0550667882,0.1273668294,0.1273668294,GGA,Fd-3m,A10B_cF176_227_cfg_d:Ba-Ga,44.0,A10B_cF176_227_cfg_d:Ba-Ga +mp-631517,BaBeGa,-2.0460885567,0.8494060525,1.1074042643,1.1074042643,GGA,F-43m,ABC_cF12_216_c_a_b:Ba-Be-Ga,3.0,ABC_cF12_216_c_a_b:Ba-Be-Ga +mp-30429,Ba8Ga7,-2.8077049898,-0.3711402113,0.0,-0.0215425488,GGA,P2_13,A8B7_cP60_198_2a2b_a2b:Ba-Ga,60.0,A8B7_cP60_198_2a2b_a2b:Ba-Ga +mp-1227946,BaGa2,-3.1206118433,-0.4622228483,0.0010873233,-0.033397986,GGA,P6mm,AB2_hP3_183_a_b:Ba-Ga,3.0,AB2_hP3_191_a_d:Ba-Ga +mp-1219,BaGa2,-3.1216991667,-0.4633101717,0.0,-0.0344853093,GGA,P6/mmm,AB2_hP3_191_a_d:Ba-Ga,3.0,AB2_hP3_191_a_d:Ba-Ga +mp-1183428,BeGa3,-2.92978806,0.2761371731,0.2761371731,0.2761371731,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Ga,4.0,AB3_tI8_139_a_bd:Be-Ga +mp-30425,BaBe13,-3.5710212825000003,0.0383603021,0.0383603021,0.0383603021,GGA,Fm-3c,AB13_cF112_226_a_bi:Ba-Be,28.0,"Invalid WP multiplicities - AB13_cF112_226_a_b2i:Ba-Be, expected BaBe25 to be BaBe13" +mp-631574,Ba2BeGa,-2.2662833225,0.3850813694,0.5839064826,0.5839064826,GGA,F-43m,A2BC_cF16_216_ac_b_d:Ba-Be-Ga,4.0,A2BC_cF16_216_ac_b_d:Ba-Be-Ga +mp-335,BaGa4,-3.257321308,-0.451049502,0.0,-0.173063399,GGA,I4/mmm,AB4_tI10_139_a_de:Ba-Ga,5.0,"Invalid WP multiplicities - AB4_tI10_139_a_d2e:Ba-Ga, expected BaGa6 to be BaGa4" +mp-865343,Tm2IrOs,-7.8206386225,-0.5662705083,0.1324740655,0.1324740655,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Os-Tm +mp-1223844,In2SbAs,-3.7578319375,-0.1849601612,0.033921605,0.033921605,GGA,R3m,AB2C_hR12_160_a_2a_a:As-In-Sb,4.0,AB2C_hR12_160_a_2a_a:As-In-Sb +mp-1217257,TePtSe,-4.9083580667,-0.671574503,0.01853694,0.01853694,GGA,P3m1,ABC_hP3_156_a_b_c:Pt-Se-Te,3.0,ABC_hP3_156_a_b_c:Pt-Se-Te +mp-1185004,LaPmIr2,-7.43983674,-0.5989822931000001,0.0,-0.0452517269,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-La-Pm,4.0,A2BC_cF16_225_c_a_b:Ir-La-Pm +mp-1186330,NdSmTl2,-3.94024917,-0.3872442048,0.00058952,0.00058952,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Nd-Sm-Tl +mp-981512,YbLuPt2,-5.757826755,-1.207120395,0.0,-0.0051669989,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Pt-Yb,,AB2C_cF16_225_a_c_b:Lu-Pt-Yb +mp-1097588,Zr2IrAu,-4.78214954,2.51977982,3.2140070929,3.2140070929,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ir-Zr,4.0,ABC2_oI8_71_a_b_e:Au-Ir-Zr +mp-1183576,CaSmPd2,-5.0286134325,-0.7576260238,0.0122265507,0.0122265507,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Sm +mp-978095,Pr2CdPb,-3.9928076675,-0.4434705825,0.0245142447,0.0245142447,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Pb-Pr,4.0,ABC2_cF16_225_a_b_c:Cd-Pb-Pr +mp-1097576,CaTlAu2,-2.1232825175,0.6057192392,1.1392461629,1.1392461629,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ca-Tl,4.0,A2BC_oI8_71_e_a_b:Au-Ca-Tl +mp-1186317,NdPd2Pb,-5.3526080975,-0.6424685669,0.0109279958,0.0109279958,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Nd-Pb-Pd +mp-1205552,Nd2Pd2Pb,-5.507439776,-0.7856986650000001,0.0,-0.0835699632,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Nd-Pb-Pd,10.0,A2BC2_tP10_127_h_a_g:Nd-Pb-Pd +mp-867138,EuSnAu2,-5.8187066575,-0.6151222438,0.0,-0.0149147229,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Sn +mp-31293,Eu2Sn5Au2,-5.7629830828,-0.5285800967000001,0.0,-0.0250141872,GGA,P2_1/m,A2B2C5_mP18_11_2e_2e_5e:Au-Eu-Sn,18.0,A2B2C5_mP18_11_2e_2e_5e:Au-Eu-Sn +mp-1198669,La3Te4Br,-5.5800796503,-1.963295498,0.0,-0.0011194686,GGA,Pnma,AB3C4_oP32_62_c_3c_4c:Br-La-Te,32.0,AB3C4_oP32_62_c_3c_4c:Br-La-Te +mp-3250,Ni2SbTe2,-4.862608723,-0.4674314457,0.0,-0.017679061,GGA,P6_3/mmc,A2BC2_hP10_194_e_c_f:Ni-Sb-Te,10.0,A2BC2_hP10_194_e_c_f:Ni-Sb-Te +mp-38006,Ni2SbTe,-5.0892099175,-0.3810647942,0.0099362963,0.0099362963,GGA,P-6m2,A2BC_hP4_187_i_a_d:Ni-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Ni-Sb-Te +mp-1219798,Ni6SbTe2,-5.2884478244,-0.2777330348,0.0007445706,0.0007445706,GGA,I4mm,A6BC2_tI18_107_2a2b_a_2a:Ni-Sb-Te,9.0,A6BC2_tI18_107_2a2b_a_2a:Ni-Sb-Te +mp-1220090,Ni3(SbTe)2,-4.9546492457,-0.3996457733,0.039004455,0.039004455,GGA,Cm,A3B2C2_mC14_8_3a_2a_2a:Ni-Sb-Te,7.0,A3B2C2_mC14_8_3a_2a_2a:Ni-Sb-Te +mp-973893,Lu2TlHg,-3.284433755,-0.3573776171,0.006757545,0.006757545,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Lu-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Lu-Tl +mp-569081,Tb5SbAu2,-4.6461689663,-0.4150944988,0.3779898129,0.3779898129,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Sb-Tb,16.0,"Invalid WP multiplicities - A2BC5_tI32_140_h_a_c2l:Au-Sb-Tb, expected Tb9SbAu2 to be Tb5SbAu2" +mp-1179018,Tb5SbAu2,-4.9828236181,-0.7517491506,0.041335161,0.041335161,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Au-Sb-Tb,16.0,A2BC5_tI32_140_h_a_cl:Au-Sb-Tb +mp-1096227,CaCd2In,-0.5959711775000001,1.054794605,1.3582819828,1.3582819828,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Cd-In,4.0,AB2C_oI8_71_a_e_b:Ca-Cd-In +mp-977453,Ca2CdIn,-2.3448641275,-0.423420815,0.0,-0.01159043,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-In,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-In +mp-862757,PrDyMg2,-3.2438558975,-0.0967927237,0.0,-0.00047124,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Pr +mp-1064000,Cs3Pt,-1.952712735,0.2366223741,0.2366223741,0.2366223741,GGA,Pm-3m,A3B_cP4_221_c_a:Cs-Pt,4.0,A3B_cP4_221_c_a:Cs-Pt +mp-1080614,Cs2Sb2Pt,-3.701532655,-0.4775445462,0.0,-0.0084846302,GGA,Cmcm,A2BC2_oC20_63_2c_a_g:Cs-Pt-Sb,10.0,A2BC2_oC20_63_2c_a_g:Cs-Pt-Sb +mp-13548,Cs2Pt,-2.5796452767,0.0410007447,0.0410007447,0.0410007447,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Cs-Pt,6.0,A2B_hP6_194_ac_d:Cs-Pt +mp-1096480,Zr2FeOs,-5.76952268,3.428674795,3.8019255204,3.8019255204,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Os-Zr,4.0,ABC2_oI8_71_a_b_e:Fe-Os-Zr +mp-1187977,Zr2FeOs,-9.56263969,-0.364442215,0.0088085104,0.0088085104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Os-Zr,4.0,ABC2_cF16_225_a_b_c:Fe-Os-Zr +mp-30555,TaGaCo2,-7.6357044225,-0.3600771119,0.0,-0.076729615,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Ta,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Ta +mp-1218121,Ta2GaCo3,-8.2952298567,-0.2837957454,0.0395191166,0.0395191166,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ga-Ta,12.0,A3BC2_hP12_194_h_a_f:Co-Ga-Ta +mp-1093932,Hf2CoNi,-5.087913595,3.1127945388,3.5729347537,3.5729347537,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Hf-Ni,4.0,AB2C_oI8_71_a_e_b:Co-Hf-Ni +mp-541449,CrGeTe3,-5.160704223,-0.419505622,0.0,-0.012140857,GGA,R-3,ABC3_hR30_148_c_c_f:Cr-Ge-Te,10.0,ABC3_hR30_148_c_c_f:Cr-Ge-Te +mp-1225351,Dy4MnSe7,-6.2101114217,-1.8717328387,0.0129488217,0.0129488217,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Dy-Mn-Se,12.0,A4BC7_mC24_8_4a_a_7a:Dy-Mn-Se +mp-21321,MnSe2,-5.9982351692,-0.61362242,0.0,-0.2181115833,GGA,Pa-3,AB2_cP12_205_a_c:Mn-Se,12.0,AB2_cP12_205_a_c:Mn-Se +mp-604910,MnSe,-6.8985631975,-0.5695998126,0.0236664425,-0.1093829976,GGA,P4/nmm,AB_tP4_129_a_c:Mn-Se,4.0,AB_tP4_129_a_c:Mn-Se +mp-999540,MnSe,-6.92222964,-0.5932662551,0.0,-0.1330494401,GGA,P6_3mc,AB_hP4_186_b_b:Mn-Se,4.0,AB_hP4_186_b_b:Mn-Se +mp-10204,MnSe,-6.9105454625,-0.5815820776,0.0116841775,-0.1213652626,GGA,P6_3/mmc,AB_hP4_194_a_c:Mn-Se,4.0,AB_hP4_194_a_c:Mn-Se +mp-2293,MnSe,-6.91790506,-0.5889416751000001,0.00432458,-0.1287248601,GGA,F-43m,AB_cF8_216_a_c:Mn-Se,2.0,AB_cF8_216_a_c:Mn-Se +mp-972,MnSe,-6.905958335,-0.5769949501,0.016271305,-0.1167781351,GGA,Fm-3m,AB_cF8_225_a_b:Mn-Se,2.0,AB_cF8_225_a_b:Mn-Se +mp-1071230,Zr2Sb3Pd,-6.4737285267,-0.6966807283,0.0333692971,0.0333692971,GGA,P-4m2,AB3C2_tP6_115_a_bg_g:Pd-Sb-Zr,6.0,AB3C2_tP6_115_a_bg_g:Pd-Sb-Zr +mp-1195256,Zr3Sb7Pd,-6.0961226734,-0.6664870025,0.0,-0.0135257557,GGA,Pnma,AB7C3_oP44_62_c_7c_3c:Pd-Sb-Zr,44.0,AB7C3_oP44_62_c_7c_3c:Pd-Sb-Zr +mp-22036,ZrSbPd,-6.7004408508,-0.7482462908,0.0246386946,0.0246386946,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sb-Zr,12.0,ABC_oP12_62_c_c_c:Pd-Sb-Zr +mp-866217,Gd2ZnRu,-10.001094765,-0.3294971075,0.0,-0.0507340025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Gd-Ru-Zn +mp-1193161,Yb(Al5Ru)2,-4.8968309142,-0.4703561712,0.0,-0.0391588625,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Yb,,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Yb +mp-975812,PrSm3,-4.71867418,0.01549186,0.01549186,0.01549186,GGA,I4/mmm,AB3_tI8_139_a_bd:Pr-Sm,4.0,AB3_tI8_139_a_bd:Pr-Sm +mp-1186487,PrSm3,-4.7048342337,0.0293318063,0.0293318063,0.0293318063,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-Sm,8.0,AB3_hP8_194_c_h:Pr-Sm +mp-975797,PrSm3,-4.72334188,0.01082416,0.01082416,0.01082416,GGA,Pm-3m,AB3_cP4_221_a_c:Pr-Sm,4.0,AB3_cP4_221_a_c:Pr-Sm +mp-1186468,PrSm,-4.719635965,0.03010998,0.03010998,0.03010998,GGA,P-6m2,AB_hP2_187_a_d:Pr-Sm,2.0,AB_hP2_187_a_d:Pr-Sm +mp-975886,PrSmZn2,-3.32098818,-0.3162434025,0.0017645075,0.0017645075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pr-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Pr-Sm-Zn +mp-1186726,Pr3Sm,-4.750797785,0.014528065,0.014528065,0.014528065,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Sm,4.0,A3B_tI8_139_ad_b:Pr-Sm +mp-1186727,Pr3Sm,-4.7541504925,0.0111753575,0.0111753575,0.0111753575,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Sm,4.0,A3B_cP4_221_c_a:Pr-Sm +mp-1097171,ZnSiIr2,-3.7572563325,2.3332261675,2.7647446756000003,2.7647446756000003,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Si-Zn,4.0,A2BC_oI8_71_e_a_b:Ir-Si-Zn +mp-1186486,Pm2RuPt,-6.8092641375,-0.5976090112,0.0,-0.5976090112,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pm-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Pm-Pt-Ru +mp-865319,Tm2CuRu,-5.9884361325,-0.4071161183,0.0,-0.0485802075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Ru-Tm +mp-973414,Lu2RuAu,-6.073602995,-0.6760566,0.0106198875,0.0106198875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Au-Lu-Ru +mp-1100397,BaAuCl,-3.7751166733,-1.4279854733,0.4263591917,0.4263591917,GGA,F-43m,ABC_cF12_216_a_b_c:Au-Ba-Cl,3.0,ABC_cF12_216_a_b_c:Au-Ba-Cl +mp-1217331,ThIrOs,-9.7032360517,-0.5433494317,0.140622215,0.140622215,GGA,Imma,ABC_oI12_74_a_c_e:Ir-Os-Th,6.0,ABC_oI12_74_a_c_e:Ir-Os-Th +mp-1190187,Nd2Ni7,-5.8623511072,-0.3071009267,0.0062055885,0.0062055885,GGA,R-3m,A2B7_hR54_166_2c_a2cdh:Nd-Ni,18.0,A2B7_hR54_166_2c_a2cdh:Nd-Ni +mp-1202657,Nd2Ni7,-5.8610311347,-0.3057809542,0.007525561,0.007525561,GGA,P6_3/mmc,A2B7_hP36_194_2f_aefhk:Nd-Ni,36.0,A2B7_hP36_194_2f_aefhk:Nd-Ni +mp-1095561,NdNi3,-5.8370440825,-0.3099047144,0.0040224989,0.0040224989,GGA,R-3m,AB3_hR36_166_ac_bch:Nd-Ni,12.0,AB3_hR36_166_ac_bch:Nd-Ni +mp-1210201,Nd4Ni,-4.7518214610000005,0.218723821,0.354058692,0.354058692,GGA,Fd-3m,A4B_cF40_227_e_a:Nd-Ni,10.0,A4B_cF40_227_e_a:Nd-Ni +mp-1210867,Nd12Ni6Pb,-5.31751318,-0.2853428463,0.0,-0.0036576977,GGA,Im-3,A12B6C_cI38_204_g_e_a:Nd-Ni-Pb,19.0,A12B6C_cI38_204_g_e_a:Nd-Ni-Pb +mp-1188200,Nd3Ni,-5.1903133331,-0.1691685887,0.0,-0.0044777831,GGA,Pnma,A3B_oP16_62_cd_c:Nd-Ni,16.0,A3B_oP16_62_cd_c:Nd-Ni +mp-999339,NdNi,-5.5936555525,-0.3195134962,0.0,-0.0603937636,GGA,Cmcm,AB_oC8_63_c_c:Nd-Ni,4.0,AB_oC8_63_c_c:Nd-Ni +mp-1343,NdNi2,-5.7531689683,-0.3103620375,0.0054272701,0.0054272701,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-Ni,6.0,AB2_cF24_227_a_d:Nd-Ni +mp-570596,Nd2Ni17,-5.8359762695,-0.1623647734,0.0118128168,0.0118128168,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:Nd-Ni,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_3f4g7j7k:Nd-Ni, expected NdNi51 to be Nd2Ni17" +mp-1192051,Nd5Ni19,-5.8823017529,-0.3129961661,0.0,-0.013725175,GGA,R-3m,A5B19_hR72_166_a2c_b3c2h:Nd-Ni,24.0,A5B19_hR72_166_a2c_b3c2h:Nd-Ni +mp-1824,NdNi5,-5.88725299,-0.2757811846,0.0,-0.0236785602,GGA,P6/mmm,AB5_hP6_191_a_cg:Nd-Ni,6.0,AB5_hP6_191_a_cg:Nd-Ni +mp-1105619,Nd7Ni3,-5.2693731735,-0.1976289667,0.0016086035,0.0016086035,GGA,P6_3mc,A7B3_hP20_186_b2c_c:Nd-Ni,20.0,A7B3_hP20_186_b2c_c:Nd-Ni +mp-631364,TaOsPb,-8.1037238967,0.82887348,1.0126012952,1.0126012952,GGA,F-43m,ABC_cF12_216_a_b_c:Os-Pb-Ta,3.0,ABC_cF12_216_a_b_c:Os-Pb-Ta +mp-1186717,Pr3Hf,-5.860483255,0.2144933187,0.2144933187,0.2144933187,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Pr,4.0,AB3_tI8_139_a_bd:Hf-Pr +mp-975638,Pr3Hf,-5.8621503125,0.2128262613,0.2128262613,0.2128262613,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Pr,4.0,AB3_cP4_221_a_c:Hf-Pr +mp-1209778,Pr3HfSb5,-6.0360807794,-1.0422016133,0.0,-0.0111542046,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Hf-Pr-Sb,18.0,AB3C5_hP18_193_b_g_dg:Hf-Pr-Sb +mp-1183890,Eu2AgSn,-7.376304135,-0.5372712704,0.0,-0.0047927344,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Sn +mp-865192,EuAg2Sn,-5.33671274,-0.3537913246,0.0135045133,0.0135045133,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-Sn +mp-1225251,EuAgSn,-6.18943767,-0.4897277839,0.0,-0.0187022133,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Eu-Sn,6.0,ABC_mC12_12_i_i_i:Ag-Eu-Sn +mp-980071,TmLuTl2,-3.705047245,-0.2745291858,0.0,-0.00718145,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Lu-Tl-Tm +mp-1097538,Zr2PdAu,-3.9405058875,2.44678538,3.0207758187,3.0207758187,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pd-Zr,4.0,ABC2_oI8_71_a_b_e:Au-Pd-Zr +mp-1096203,ZrPdAu2,-3.2190983675,1.8497382425,2.4580055604,2.4580055604,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pd-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Pd-Zr +mp-631542,BaZrNi,-4.74074554,0.6748585433000001,0.9786810167,0.9786810167,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-Ni-Zr,3.0,ABC_cF12_216_a_c_b:Ba-Ni-Zr +mp-16904,Ba2CdTe3,-3.9037350042,-1.5386087842,0.0202105358,0.0202105358,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Cd-Te,24.0,A2BC3_oP24_62_2c_c_3c:Ba-Cd-Te +mp-571008,Pr(CoAs)2,-6.388775822,-0.7256201910000001,0.0,-0.009034307,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Pr,5.0,A2B2C_tI10_139_e_d_a:As-Co-Pr +mp-864770,Ta2MoOs,-11.83884702,-0.39170382,0.0,-0.1593180219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Os-Ta,4.0,ABC2_cF16_225_a_b_c:Mo-Os-Ta +mp-1205740,HfAsPd,-7.3912679167,-0.7925381683,0.0725537386,0.0725537386,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Hf-Pd,9.0,ABC_hP9_189_ad_f_g:As-Hf-Pd +mp-1213986,Ce5GeSb2,-6.1304097141,-0.8121002003000001,0.0,-0.0047234459,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Ce-Ge-Sb,32.0,A5BC2_oP32_62_3cd_c_d:Ce-Ge-Sb +mp-1226905,Ce2(TlSn)3,-4.2745971887,-0.4017442744,0.0,-0.0010712802,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:Ce-Sn-Tl,8.0,A2B3C3_oP8_47_i_cl_def:Ce-Sn-Tl +mp-865988,LuCdHg2,-1.8208005,-0.3080002475,0.0,-0.0720997987,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Lu,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Lu +mp-1185448,Lu2CdHg,-2.9439574775,-0.3768396862,0.011217915,0.011217915,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Lu,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Lu +mp-1069287,Nd2CdCu2,-3.994919412,-0.263399819,0.0,-0.014534411,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Cd-Cu-Nd,5.0,AB2C2_oC10_65_a_g_h:Cd-Cu-Nd +mp-1080722,Nd2CdCu2,-3.986825294,-0.255305701,0.008094118,-0.006440293,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Nd,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Nd +mp-1216569,Tl4BrCl3,-3.309759035,-1.2411076729,0.0500757475,0.0500757475,GGA,Pmmm,AB3C4_oP8_47_a_bj_ghk:Br-Cl-Tl,8.0,"Invalid WP multiplicities - AB3C4_oP8_47_a_b2j_gh2k:Br-Cl-Tl, expected Tl6BrCl5 to be Tl4BrCl3" +mp-1216585,Tl4Br3Cl,-3.1712213513,-1.1764470717,0.0490989062,0.0490989062,GGA,P4/mmm,A3BC4_tP8_123_ag_b_2h:Br-Cl-Tl,8.0,"Invalid WP multiplicities - A3BC4_tP8_123_a2g_b_2h:Br-Cl-Tl, expected Tl4Br5Cl to be Tl4Br3Cl" +mp-1216608,Tl5BrCl4,-3.315488655,-1.2394495847,0.05829758,0.05829758,GGA,Cmmm,AB4C5_oC20_65_a_2g_c2h:Br-Cl-Tl,10.0,"Invalid WP multiplicities - AB4C5_oC20_65_a_3g_c4h:Br-Cl-Tl, expected Tl9BrCl6 to be Tl5BrCl4" +mp-31170,Cd2AgAu,-2.1221600225,-0.1341056417,0.0,-0.0059583338,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Cd,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Cd +mp-1097524,CdAgAu2,-1.62168713,0.9541153108,1.0693923558,1.0693923558,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Cd,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Cd +mp-1183634,CdAgAu2,-2.68643066,-0.1106282192,0.0046488258,0.0046488258,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Cd,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Cd +mp-983602,CdAg2Au,-2.5376949275,-0.0722239858,0.0167963692,0.0167963692,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Au-Cd,4.0,A2BC_cF16_225_c_a_b:Ag-Au-Cd +mp-981383,ScSn3,-4.8479609925,-0.257664825,0.0936491206,0.0936491206,GGA,I4/mmm,AB3_tI8_139_a_bd:Sc-Sn,4.0,AB3_tI8_139_a_bd:Sc-Sn +mp-972889,ScSn3,-4.8383110763,-0.2480149088,0.1032990369,0.1032990369,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sc-Sn,8.0,AB3_hP8_194_c_h:Sc-Sn +mp-1209024,Sc6Sn5,-5.9430930336,-0.666486315,0.0,-0.0415198461,GGA,Ibam,A6B5_oI44_72_f2j_a2j:Sc-Sn,22.0,A6B5_oI44_72_f2j_a2j:Sc-Sn +mp-1103938,Sc(FeSn)6,-6.3457226092,-0.0987974173,0.0109760629,0.0109760629,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Fe-Sc-Sn,13.0,A6BC6_hP13_191_i_a_cde:Fe-Sc-Sn +mp-1009747,ScSn,-4.75826425,0.41275623,1.036799462,1.036799462,GGA,F-43m,AB_cF8_216_a_c:Sc-Sn,2.0,AB_cF8_216_a_c:Sc-Sn +mp-1206765,ScSn,-5.62173206,-0.45071158,0.173331652,0.173331652,GGA,Pm-3m,AB_cP2_221_a_b:Sc-Sn,2.0,AB_cP2_221_a_b:Sc-Sn +mp-2398,ScSn2,-5.2522895325,-0.4684185942,0.0,-0.0611214017,GGA,I4_1/amd,AB2_tI24_141_e_abe:Sc-Sn,12.0,AB2_tI24_141_e_abe:Sc-Sn +mp-1186976,Sc3Sn,-6.2026623988,-0.4509176062,0.004863675,0.004863675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sc-Sn,8.0,A3B_hP8_194_h_c:Sc-Sn +mp-1186970,Sc3Sn,-6.1867287825,-0.43498399,0.0207972912,0.0207972912,GGA,Pm-3m,A3B_cP4_221_c_a:Sc-Sn,4.0,A3B_cP4_221_c_a:Sc-Sn +mp-17695,Sc5Sn3,-6.1450545581,-0.6836719219,0.0,-0.1010178825,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Sc-Sn,16.0,A5B3_hP16_193_dg_g:Sc-Sn +mp-1220344,Nb6AlGe,-8.8463028088,-0.2242485681,0.0456705447,0.0456705447,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Ge-Nb,8.0,ABC6_cP8_200_a_b_f:Al-Ge-Nb +mp-1220748,Nb12Al3Ge,-8.7641241675,-0.1969106784,0.0479752612,0.0479752612,GGA,Pmmm,A3BC12_oP16_47_al_b_2knpw:Al-Ge-Nb,16.0,"Invalid WP multiplicities - A3BC12_oP16_47_al_b_4k2n2p2w:Al-Ge-Nb, expected Nb24Al3Ge to be Nb12Al3Ge" +mp-1096345,AlGaRu2,-3.6815363225,2.6490829106,3.1408364269,3.1408364269,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ga-Ru,4.0,ABC2_oI8_71_a_b_e:Al-Ga-Ru +mp-1183218,AlGaRu2,-6.81856811,-0.4879488769,0.0038046394,0.0038046394,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ga-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Ga-Ru +mp-862715,Al2PdRu,-6.2955814025,-0.8092224,0.0,-0.01547618,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Pd-Ru +mp-12094,Li2SnGe,-3.26744791,-0.1548365492,0.1484973206,0.1484973206,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ge-Li-Sn,4.0,AB2C_cF16_216_a_bc_d:Ge-Li-Sn +mp-567317,Nd(AlGa)2,-4.11097335,-0.4478751225,0.0,-0.0244115347,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Ga-Nd,5.0,A2B2C_tI10_139_d_e_a:Al-Ga-Nd +mp-1220166,NdAlGa,-4.4431505633,-0.5958774683,0.0015605017,0.0015605017,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Nd,3.0,ABC_hP3_187_a_c_f:Al-Ga-Nd +mp-1220328,Nd2Al3Ga,-4.4899290783,-0.5230760154,0.0266067325,0.0266067325,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Al-Ga-Nd,6.0,A3BC2_oP6_25_a2b_a_cd:Al-Ga-Nd +mp-1220320,Nd2Al3Ga,-4.4920734967,-0.5252204337,0.0244623142,0.0244623142,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Ga-Nd,6.0,A3BC2_hR18_166_d_a_c:Al-Ga-Nd +mp-1212934,ErZnGe,-4.1298355417,-0.6463387833,0.0,-0.0447911264,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Er-Ge-Zn,12.0,ABC_hP12_194_ab_f_f:Er-Ge-Zn +mp-1192836,Er4Zn5Ge6,-4.0220287343,-0.5348447063,0.0,-0.0154842828,GGA,Cmc2_1,A4B6C5_oC60_36_4a_6a_5a:Er-Ge-Zn,30.0,A4B6C5_oC60_36_4a_6a_5a:Er-Ge-Zn +mp-1192426,Er6Zn23Ge,-2.375669437,-0.3422213122,0.0083702436,0.0083702436,GGA,Fm-3m,A6BC23_cF120_225_e_a_bd2f:Er-Ge-Zn,30.0,A6BC23_cF120_225_e_a_bd2f:Er-Ge-Zn +mp-867107,BeSiOs2,-8.1828023775,-0.2779359387,0.0,-0.0096649841,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Os-Si,4.0,AB2C_cF16_225_a_c_b:Be-Os-Si +mp-29989,Sm3(SiIr)2,-7.0257738093,-0.9281648343,0.0,-0.0814010525,GGA,Cmcm,A2B2C3_oC28_63_ac_f_cf:Ir-Si-Sm,14.0,"Invalid WP multiplicities - A2B2C3_oC28_63_ac_f_2c3f:Ir-Si-Sm, expected Sm4SiIr to be Sm3(SiIr)2" +mp-1206112,Sm2(SiIr)3,-5.82676811,0.7017855025,1.7263444452,1.7263444452,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Sm,8.0,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Sm +mp-1087538,Sm(SiIr)2,-7.679947023,-1.030728912,0.020820381,-0.2439903927,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-Si-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Ir-Si-Sm +mp-12097,Sm(SiIr)2,-7.700767404,-1.051549293,0.0,-0.2648107737,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ir-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Ir-Si-Sm +mp-1070603,Sm(SiIr)2,-7.52046822,-0.8712501090000001,0.180299184,-0.0845115897,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ir-Si-Sm,5.0,A2B2C_tI10_139_e_d_a:Ir-Si-Sm +mp-1068639,SmSi3Ir,-6.778820636,-0.812225755,0.0,-0.122798851,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ir-Si-Sm,5.0,AB3C_tI10_107_a_ab_a:Ir-Si-Sm +mp-1227364,Ca5(Si2Au3)2,-4.096054144,-0.6712165760000001,0.0,-0.031677415,GGA,Cm,A6B5C4_mC60_8_12a_10a_8a:Au-Ca-Si,30.0,A6B5C4_mC60_8_12a_10a_8a:Au-Ca-Si +mp-7364,Ca(SiAu)2,-4.358894118,-0.47809413,0.0,-0.051272591,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ca-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Ca-Si +mp-1227046,CaSiAu,-4.18984828,-0.6215816433,0.0,-0.0063494297,GGA,P-6m2,ABC_hP3_187_a_d_e:Au-Ca-Si,3.0,ABC_hP3_187_a_d_e:Au-Ca-Si +mp-1183093,Ac2IrRh,-6.6095319775,-0.4982589612,0.0,-0.4912495338,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Ac-Ir-Rh +mp-867771,TaCuRh2,-8.1127434675,-0.4413434575,0.0,-0.0130456756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Rh-Ta,4.0,AB2C_cF16_225_a_c_b:Cu-Rh-Ta +mp-631354,ReOsRu,-10.28953355,0.6925655017,0.7790690603,0.7790690603,GGA,F-43m,ABC_cF12_216_c_a_b:Os-Re-Ru,3.0,ABC_cF12_216_c_a_b:Os-Re-Ru +mp-1183762,Ce2CdPb,-4.36397531,-0.238546525,0.0656314954,0.0656314954,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ce-Pb,4.0,AB2C_cF16_225_a_c_b:Cd-Ce-Pb +mp-1207579,Yb5As3,-3.8356184419,-1.126193865,0.0,-0.1072975994,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:As-Yb,,A3B5_hP16_193_g_dg:As-Yb +mp-1098,Yb4As3,-4.0409940657,-1.164452875,0.0,-0.1347899127,GGA,I-43d,A3B4_cI28_220_a_c:As-Yb,,A3B4_cI28_220_a_c:As-Yb +mp-8953,YbAsPd,-4.8156467944,-1.0227772961,0.0,-0.1913822019,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Pd-Yb,,ABC_hP9_189_ad_g_f:As-Pd-Yb +mp-1187908,YbAs3,-4.2860411525,-0.4068002788,0.1026478541,0.1026478541,GGA,Pm-3m,A3B_cP4_221_c_a:As-Yb,,A3B_cP4_221_c_a:As-Yb +mp-600,YbAs,-3.907883585,-0.8085202425,0.2103760231,0.2103760231,GGA,Fm-3m,AB_cF8_225_a_b:As-Yb,,AB_cF8_225_a_b:As-Yb +mp-29638,BiTePt,-4.8451925125,-0.4935497314,0.0,-0.0142670975,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Pt-Te,12.0,ABC_cP12_198_a_a_a:Bi-Pt-Te +mp-1101973,YbAsPt,-5.1647135225,-1.0747601875,0.0,-0.1120576071,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Pt-Yb,,ABC_hP12_194_f_f_ab:As-Pt-Yb +mp-865365,Tm2NiIr,-6.62947395,-0.7369135233,0.0109772927,0.0109772927,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Tm +mp-1187348,TbHoRh2,-6.8610602025,-0.8747125250000001,0.009145395,0.009145395,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Tb +mp-1221469,Mo4Ir,-10.238123786,0.206083138,0.337765235,0.337765235,GGA,R-3m,AB4_hR15_166_a_2c:Ir-Mo,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ir-Mo, expected Mo6Ir to be Mo4Ir" +mp-1120,Mo3Ir,-10.4434290138,-0.0995828863,0.065019735,0.065019735,GGA,Pm-3n,AB3_cP8_223_a_c:Ir-Mo,8.0,AB3_cP8_223_a_c:Ir-Mo +mp-1221426,MoIr4,-9.30878921,-0.068911844,0.204315122,0.204315122,GGA,R-3m,A4B_hR15_166_2c_a:Ir-Mo,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ir-Mo, expected MoIr6 to be MoIr4" +mp-11482,MoIr3,-9.68177187,-0.3415337075,0.0,-0.1769310862,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-Mo,8.0,A3B_hP8_194_h_c:Ir-Mo +mp-1093842,Zr2MoIr,-5.802668755,3.3922026325,3.9230456579,3.9230456579,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mo-Zr,4.0,ABC2_oI8_71_a_b_e:Ir-Mo-Zr +mp-11481,MoIr,-10.1712473875,-0.3292052425,0.0,-0.1015161042,GGA,Pmma,AB_oP4_51_e_f:Ir-Mo,4.0,AB_oP4_51_e_f:Ir-Mo +mp-1221414,MoIr,-10.048365765,-0.20632362,0.1228816225,0.0213655183,GGA,P-6m2,AB_hP2_187_a_d:Ir-Mo,2.0,AB_hP2_187_a_d:Ir-Mo +mp-864659,Nd2NiIr,-6.483063975,-0.4443475438,0.076330808,0.076330808,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Nd-Ni,4.0,AB2C_cF16_225_a_c_b:Ir-Nd-Ni +mp-21364,HoCuAs2,-5.310789645,-0.8108265575,0.0,-0.0515869837,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Ho,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Ho +mp-1207329,Ho2CuAs3,-2.1038151583,2.4364147792,3.4831255333,3.4831255333,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Cu-Ho,6.0,A3BC2_tP6_123_ag_b_g:As-Cu-Ho +mp-1025001,ErNi4Au,-5.56487958,-0.4045216583,0.0,-0.0162304875,GGA,F-43m,ABC4_cF24_216_a_c_e:Au-Er-Ni,6.0,ABC4_cF24_216_a_c_e:Au-Er-Ni +mp-980053,YbPrAu2,-4.095887345,-0.8788178363,0.0,-0.00397729,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pr-Yb,,A2BC_cF16_225_c_a_b:Au-Pr-Yb +mp-1219834,Pr2SbAu3,-4.7468813083,-0.8281381833,0.0452173222,0.0452173222,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Au-Pr-Sb,6.0,A3B2C_oP6_25_a2b_cd_a:Au-Pr-Sb +mp-1079550,PrSb2Au,-4.8863549588,-0.8081573999999999,0.0,-0.0096047967,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Au-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Au-Pr-Sb +mp-1206276,Pr2Sb3Au,-2.036932915,2.1668499567,3.1530890908,3.1530890908,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Au-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Au-Pr-Sb +mp-861503,Pr3Sb4Au3,-5.0262999465,-0.958263124,0.0,-0.0777753321,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Pr-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Pr-Sb +mp-867781,TaGaRu2,-8.9364313075,-0.5777616244,0.0,-0.2508911331,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-Ta +mp-1220560,Nd2(InSn)3,-4.2125900437,-0.4850823413,0.0,-0.0016024584,GGA,Pmmm,A3B2C3_oP8_47_aj_k_bgh:In-Nd-Sn,8.0,A3B2C3_oP8_47_aj_k_bgh:In-Nd-Sn +mp-1093934,Mg2NiPt,-2.06635734,1.696600185,2.2278696575,2.2278696575,GGA,Immm,A2BC_oI8_71_e_a_b:Mg-Ni-Pt,4.0,A2BC_oI8_71_e_a_b:Mg-Ni-Pt +mp-1203833,Ga31Mo6,-4.4317197223,-0.1359122261,0.0,-0.0034790501,GGA,P-1,A31B6_aP74_2_bcdh29i_6i:Ga-Mo,74.0,A31B6_aP74_2_bcdh29i_6i:Ga-Mo +mp-1195805,Ga41Mo8,-4.4377654657,-0.133334082,0.0026373338,0.0026373338,GGA,R-3,A41B8_hR147_148_abd6f_cf:Ga-Mo,49.0,A41B8_hR147_148_abd6f_cf:Ga-Mo +mp-1203283,Sc(Ga5Mo)8,-4.5246276978,-0.1527601287,0.0136978973,0.0136978973,GGA,R-3,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Sc,49.0,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Sc +mp-2377,GaMo3,-9.0587144737,-0.1674528856,0.0,-0.126898431,GGA,Pm-3n,AB3_cP8_223_a_c:Ga-Mo,8.0,AB3_cP8_223_a_c:Ga-Mo +mp-30210,La5Sn3Cl,-5.39371424,-1.1095711567,0.0,-0.0692121065,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cl-La-Sn,18.0,AB5C3_hP18_193_b_dg_g:Cl-La-Sn +mp-864620,CaSmCd2,-2.4998924,-0.3574010162,0.0,-0.0206227175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Sm +mp-19928,Hf2CuSb3,-6.51615401,-0.4493892683,0.0315616781,0.0315616781,GGA,P-4m2,AB2C3_tP6_115_a_g_bg:Cu-Hf-Sb,6.0,AB2C3_tP6_115_a_g_bg:Cu-Hf-Sb +mp-1105851,Hf5CuSb3,-7.907669615,-0.5440967772,0.0,-0.0538356887,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Hf-Sb,18.0,AB5C3_hP18_193_b_dg_g:Cu-Hf-Sb +mp-1097637,ZnCdAu2,-1.4280316175,0.754567725,0.9556282075,0.9500102612,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cd-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Cd-Zn +mp-1215524,ZnCdAu2,-2.383659825,-0.2010604825,0.0,-0.0056179463,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Au-Cd-Zn,4.0,A2BC_tP4_123_h_a_b:Au-Cd-Zn +mp-866012,Hf2ZnRe,-8.7017876475,-0.2971254337,0.0,-0.0029380612,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Re-Zn,4.0,A2BC_cF16_225_c_a_b:Hf-Re-Zn +mp-1187983,ZnRe,-6.627678605,0.2244567925,0.2244567925,0.2244567925,GGA,P-6m2,AB_hP2_187_a_d:Re-Zn,2.0,AB_hP2_187_a_d:Re-Zn +mp-621362,NdInAu,-4.3273095356,-0.7294051481,0.0,-0.0452812733,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Nd,9.0,ABC_hP9_189_ad_g_f:Au-In-Nd +mp-607126,Nd(In2Au)2,-3.6049132525,-0.4159637736,0.0099672825,0.0099672825,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Au-In-Nd,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_3c_12c_c:Au-In-Nd, expected Nd(In4Au)3 to be Nd(In2Au)2" +mp-568139,NdInAu2,-4.2017073525,-0.6848085619000001,0.0,-0.0501666699,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Nd,4.0,A2BC_cF16_225_c_a_b:Au-In-Nd +mp-1205853,Nd2InAu2,-4.539493493,-0.772344974,0.0,-0.0113843842,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Nd,10.0,A2BC2_tP10_127_g_a_h:Au-In-Nd +mp-1025306,AlAsPt5,-6.0429068486,-0.5057124436,0.000920313,0.000920313,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Al-As-Pt,7.0,ABC5_tP7_123_c_b_ai:Al-As-Pt +mp-865878,Ti2TcNi,-8.462717115,-0.4797772004,0.0,-0.0335663875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Ni-Tc-Ti +mp-11113,TiTeAs,-6.064367485,-0.8317287133,0.0,-0.0246669733,GGA,Immm,ABC_oI12_71_g_e_f:As-Te-Ti,6.0,ABC_oI12_71_g_e_f:As-Te-Ti +mp-1079093,TmSiAg,-4.8090213044,-0.5644514856,0.0,-0.043060605,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Si-Tm,9.0,ABC_hP9_189_f_bc_g:Ag-Si-Tm +mp-12084,Lu(CrSi)2,-7.33091236,-0.395376056,0.1042648158,0.1042648158,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Lu-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Lu-Si +mp-1208205,TiGeRh,-7.4076383183,-0.7800290711000001,0.0,-0.1113239551,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Rh-Ti,18.0,ABC_oI36_46_bc_ac_3b:Ge-Rh-Ti +mp-1093752,TiGeRh2,-4.7672386925,2.0445452104,2.7524447675,2.7524447675,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Rh-Ti,4.0,AB2C_oI8_71_a_e_b:Ge-Rh-Ti +mp-1187497,TiGeRh2,-7.473745905,-0.6619620021,0.045937555,0.045937555,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Ge-Rh-Ti +mp-1215536,Zr2SiMo3,-9.5375884183,-0.3613101483,0.0584170592,0.0584170592,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Mo-Si-Zr,12.0,A3BC2_hP12_194_h_a_f:Mo-Si-Zr +mp-1215399,Zr3SiMo8,-9.8003560542,0.0191123458,0.2638081321,0.2638081321,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Mo-Si-Zr,12.0,A8BC3_hP12_156_2b2d_a_a2c:Mo-Si-Zr +mp-1102520,ZrSiMo,-8.973015275,-0.700125685,0.0,-0.0854595467,GGA,Pnma,ABC_oP12_62_c_c_c:Mo-Si-Zr,12.0,ABC_oP12_62_c_c_c:Mo-Si-Zr +mp-1096587,Sc2TlPd,-3.282759545,1.7691062467,2.2924456211,2.2924456211,GGA,Immm,AB2C_oI8_71_a_e_b:Pd-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Pd-Sc-Tl +mp-1185295,Li3Zr,-3.125473305,0.4431440025,0.4431440025,0.4431440025,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Zr,4.0,A3B_cF16_225_ac_b:Li-Zr +mp-631338,LiZrSc,-4.47445603,1.1219081706,1.1388077212,1.1388077212,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Sc-Zr,3.0,ABC_cF12_216_a_b_c:Li-Sc-Zr +mp-972861,Sc2TlTc,-6.53256263,-0.1855075546,0.0330612768,0.0330612768,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sc-Tc-Tl,4.0,A2BC_cF16_225_c_a_b:Sc-Tc-Tl +mp-30434,BaTl2,-2.6057314,-0.3909776556,0.0,-0.1277625289,GGA,P6_3/mmc,AB2_hP6_194_b_f:Ba-Tl,6.0,AB2_hP6_194_b_f:Ba-Tl +mp-1091391,BaTl4,-2.517248488,-0.2433389827,0.0,-0.0064453687,GGA,C2/m,AB4_mC20_12_i_4i:Ba-Tl,10.0,AB4_mC20_12_i_4i:Ba-Tl +mp-984725,BaTl3,-2.5478431125,-0.2961170175,0.0025864675,0.0025864675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Tl,8.0,AB3_hP8_194_c_h:Ba-Tl +mp-1096143,TaTc2Sn,-5.6918874775,3.4552693662,3.70411188,3.70411188,GGA,Immm,ABC2_oI8_71_a_b_e:Sn-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Sn-Ta-Tc +mp-30267,CeGa4Os,-5.3424914206,-0.4636846414,0.0,-0.0346573058,GGA,Pmma,AB4C_oP36_51_ek_afijkl_bh:Ce-Ga-Os,36.0,AB4C_oP36_51_ek_afijkl_bh:Ce-Ga-Os +mp-864684,Hf2MoIr,-10.5184525625,-0.618836975,0.0,-0.0238619748,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Ir-Mo,4.0,A2BC_cF16_225_c_a_b:Hf-Ir-Mo +mp-1097569,Zr2NbPt,-5.197037305,3.1199226,3.6613939375,3.6613939375,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Nb-Pt-Zr +mp-31140,BaBiAu,-3.3053890783,-0.2942737217,0.4108554065,0.4108554065,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Au-Ba-Bi,6.0,ABC_hP6_194_a_c_d:Au-Ba-Bi +mp-862947,Ba2BiAu,-3.61585141,-0.8777711575,0.0,-0.0232821194,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ba-Bi,4.0,AB2C_cF16_225_a_c_b:Au-Ba-Bi +mp-981933,NaPd2Pb,-4.08257758,-0.2338435841,0.013358996,0.013358996,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Pb-Pd,4.0,ABC2_cF16_225_a_b_c:Na-Pb-Pd +mp-1187625,Tm2NiPt,-6.0685438325,-0.8678086208,0.043949565,0.043949565,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Ni-Pt-Tm +mp-31173,CeCd2Ag,-2.8110641675,-0.1582079979,0.0397065225,0.0397065225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Cd-Ce,4.0,AB2C_cF16_225_a_c_b:Ag-Cd-Ce +mp-865552,CeCdAg2,-3.3026303225,-0.1723575921,0.0,-0.0009854414,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Ce,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Ce +mp-30723,Th2Hg,-5.181397175,-0.13759822,0.0,-0.0058664258,GGA,I4/mcm,AB2_tI12_140_a_h:Hg-Th,6.0,AB2_tI12_140_a_h:Hg-Th +mp-1185437,LiThHg2,-2.7715856475,-0.2890501858,0.0,-0.0018826742,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Th,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Th +mp-2215,ThHg2,-2.9372032483,-0.2634635883,0.0,-0.0462168713,GGA,P6_3/mmc,A2B_hP6_194_f_b:Hg-Th,6.0,A2B_hP6_194_f_b:Hg-Th +mp-1187410,Th3Hg,-5.6935327675,-0.0572189887,0.0459796763,0.0459796763,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Th,4.0,AB3_tI8_139_a_bd:Hg-Th +mp-1217274,ThHg3,-2.1231328225,-0.0419079863,0.195250855,0.155689705,GGA,P-6m2,A3B_hP4_187_ah_b:Hg-Th,4.0,A3B_hP4_187_ah_b:Hg-Th +mp-30724,ThHg3,-2.3183836775,-0.2371588412,0.0,-0.03956115,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Th,8.0,A3B_hP8_194_h_c:Hg-Th +mp-1217267,ThHg,-3.960664265,-0.1018949575,0.0986359467,0.0986359467,GGA,R-3m,AB_hR6_166_a_b:Hg-Th,2.0,AB_hR6_166_a_b:Hg-Th +mp-972130,Tl3Cr,-3.7350836675,0.45016056,0.45016056,0.45016056,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cr-Tl,8.0,AB3_hP8_194_c_h:Cr-Tl +mp-1100997,TlCr5Te8,-5.8662288871,-0.4537769126,0.0125149811,0.0125149811,GGA,P1,A5B8C_aP14_1_5a_8a_a:Cr-Te-Tl,14.0,A5B8C_mC28_8_5a_8a_a:Cr-Te-Tl +mp-1216689,TlCr5Te8,-5.8690853857,-0.4566334112,0.0096584825,0.0096584825,GGA,Cm,A5B8C_mC28_8_5a_8a_a:Cr-Te-Tl,14.0,A5B8C_mC28_8_5a_8a_a:Cr-Te-Tl +mp-4638,TlCrTe2,-5.0438441525,-0.4682685517,0.0,-0.0120005967,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cr-Te-Tl,4.0,AB2C_hP4_164_a_d_b:Cr-Te-Tl +mp-1212450,Hf6Be15Ni8,-6.0022087845,-0.4134011778,0.0,-0.0364936718,GGA,Fm-3m,A15B6C8_cF116_225_adf_e_f:Be-Hf-Ni,29.0,A15B6C8_cF116_225_adf_e_f:Be-Hf-Ni +mp-1184256,Fe3Se,-7.04252314,0.1839706369,0.4379300175,0.4379300175,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Se,4.0,A3B_cP4_221_c_a:Fe-Se +mp-607953,FeSeBr7,-3.3338571939,-0.7963981941,0.0,-0.019432881,GGA,Pc,A7BC_mP18_7_7a_a_a:Br-Fe-Se,18.0,"Invalid WP multiplicities - A7BC_mP18_7_13a_a_a:Br-Fe-Se, expected FeSeBr13 to be FeSeBr7" +mp-760,FeSe2,-5.823665015,-0.6697169599,0.0,-0.2825474611,GGA,Pnnm,AB2_oP6_58_a_g:Fe-Se,6.0,AB2_oP6_58_a_g:Fe-Se +mp-1103177,FeSe2,-5.7947026042,-0.6407545491000001,0.0289624108,-0.2535850502,GGA,Pa-3,AB2_cP12_205_a_c:Fe-Se,12.0,AB2_cP12_205_a_c:Fe-Se +mp-1225212,Fe4Se3Br,-5.9264986962,-0.1863927459,0.3544112594,0.3544112594,GGA,I4mm,AB4C3_tI16_107_a_c_ab:Br-Fe-Se,8.0,AB4C3_tI16_107_a_c_ab:Br-Fe-Se +mp-684963,Fe3Se4,-5.6980704271,-0.0703976356,0.5068632107000001,0.5068632107000001,GGA,P-1,A3B4_aP7_2_ai_2i:Fe-Se,7.0,"Invalid WP multiplicities - A3B4_aP7_2_a2i_3i:Fe-Se, expected Fe5Se6 to be Fe3Se4" +mp-2780,Fe3Se4,-6.1254621471,-0.4977893556,0.0794714907,0.0794714907,GGA,C2/m,A3B4_mC14_12_ai_2i:Fe-Se,7.0,A3B4_mC14_12_ai_2i:Fe-Se +mp-569240,Fe3Se4,-6.0321527114,-0.4044799199,0.1727809264,0.1727809264,GGA,P-3m1,A3B4_hP7_164_ac_2d:Fe-Se,7.0,"Invalid WP multiplicities - A3B4_hP7_164_a2c_2d:Fe-Se, expected Fe5Se4 to be Fe3Se4" +mp-1078538,FeSe,-6.1259481425,-0.1429817987,0.3649369625,0.3593059213,GGA,Pnma,AB_oP8_62_c_c:Fe-Se,8.0,AB_hP4_194_a_c:Fe-Se +mp-1078945,FeSe,-6.2835817663,-0.3006154224,0.2073033387,0.2016722975,GGA,Pnma,AB_oP8_62_c_c:Fe-Se,8.0,AB_oP8_62_c_c:Fe-Se +mp-1080120,FeSe,-6.2376023337,-0.2546359899,0.2532827712,0.24765173,GGA,Pnma,AB_oP8_62_c_c:Fe-Se,8.0,AB_oP8_62_c_c:Fe-Se +mp-1978272,FeSe,-6.240330825,-0.2573644812,0.25055428,0.2449232388,GGA,Cmcm,AB_oC8_63_c_c:Fe-Se,4.0,AB_oC8_63_c_c:Fe-Se +mp-1066497,FeSe,-5.870177105,0.1127892388,0.6207079999999999,0.6150769588,GGA,Cmme,AB_oC8_67_c_g:Fe-Se,4.0,AB_oC8_67_c_g:Fe-Se +mp-1018075,FeSe,-5.966699795,0.0162665488,0.52418531,0.5185542688,GGA,P4/nmm,AB_tP4_129_c_a:Fe-Se,4.0,AB_cP2_221_a_b:Fe-Se +mp-20311,FeSe,-6.490885105,-0.5079187612,0.0,-0.0056310412,GGA,P4/nmm,AB_tP4_129_a_c:Fe-Se,4.0,AB_tP4_129_a_c:Fe-Se +mp-1090,FeSe,-6.3001206375,-0.3171542937,0.1907644675,0.1851334263,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-Se,4.0,AB_hP4_194_a_c:Fe-Se +mp-20120,FeSe,-5.968508115000001,0.0144582288,0.52237699,0.5167459487,GGA,Pm-3m,AB_cP2_221_a_b:Fe-Se,2.0,AB_cP2_221_a_b:Fe-Se +mp-540702,Fe7Se8,-6.2037592244,-0.3865965384,0.1536818626,0.1536818626,GGA,P3_121,A7B8_hP45_152_2ab2c_4c:Fe-Se,45.0,"Invalid WP multiplicities - A7B8_hP45_152_2ab2c_6c:Fe-Se, expected Fe7Se12 to be Fe7Se8" +mp-1055905,Fe7Se3,-7.0216968497,-0.0439085595,0.2608426973,0.2608426973,GGA,P2_1/m,A7B3_mP40_11_6e4f_2e2f:Fe-Se,40.0,"Invalid WP multiplicities - A7B3_mP40_11_11e14f_4e6f:Fe-Se, expected Fe39Se16 to be Fe7Se3" +mp-952967,Fe7Se3,-7.017991481,-0.0402031907,0.264548066,0.264548066,GGA,Pnma,A7B3_oP40_62_3c2d_cd:Fe-Se,40.0,"Invalid WP multiplicities - A7B3_oP40_62_11c12d_3c3d:Fe-Se, expected Fe35Se9 to be Fe7Se3" +mp-1106121,Fe9Se8,-6.5495645835000005,-0.4203008946,0.0577402924,0.0577402924,GGA,P4mm,A9B8_tP17_99_aef_abcd:Fe-Se,17.0,A9B8_tP17_99_aef_abcd:Fe-Se +mp-1192002,LiHoSn,-4.1425871242,-0.6422859269,0.0,-0.0719932922,GGA,P6_3mc,ABC_hP24_186_ac_bc_bc:Ho-Li-Sn,24.0,ABC_hP24_186_ac_bc_bc:Ho-Li-Sn +mp-1080784,LiHoSn2,-4.0360255475,-0.4084066858,0.13780752,0.13780752,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ho-Li-Sn,8.0,ABC2_oC16_63_c_c_2c:Ho-Li-Sn +mp-973826,LiHoSn2,-4.02900799,-0.4013891283,0.1448250775,0.1448250775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Li-Sn,4.0,ABC2_cF16_225_a_b_c:Ho-Li-Sn +mp-1211048,Li2Pr5Sn7,-4.6817135175,-0.6967579823000001,0.0,-0.021488921,GGA,P2_12_12_1,A2B5C7_oP56_19_2a_5a_7a:Li-Pr-Sn,56.0,A2B5C7_oP56_19_2a_5a_7a:Li-Pr-Sn +mp-1191159,LiPrSn,-4.2270660721,-0.6605992465,0.0,-0.0825232622,GGA,P6_3mc,ABC_hP24_186_bc_ac_bc:Li-Pr-Sn,24.0,ABC_hP24_186_bc_ac_bc:Li-Pr-Sn +mp-12718,LiPrSn,-4.0688491733,-0.5023823478,0.1582168987,0.0756936365,GGA,F-43m,ABC_cF12_216_c_a_b:Li-Pr-Sn,3.0,ABC_cF12_216_c_a_b:Li-Pr-Sn +mp-1078879,LiPrSn2,-4.2544517862,-0.5772087033000001,0.0172241498,0.0172241498,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Li-Pr-Sn,8.0,ABC2_oC16_63_c_c_2c:Li-Pr-Sn +mp-1199071,Pr(Cd10Pd)2,-1.6547505337,-0.1939477261,0.0,-0.0243175183,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Pd-Pr,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Pd-Pr +mp-1209682,Pr4CdPd,-4.5899359162,-0.3855368179,0.0,-0.0114294007,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pd-Pr,24.0,ABC4_cF96_216_e_e_efg:Cd-Pd-Pr +mp-571641,PrCdPd,-4.2901246711,-0.6622322294,0.0,-0.0368309323,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Pd-Pr,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Cd-Pd-Pr, expected Pr3Cd3Pd5 to be PrCdPd" +mp-12974,Pr2CdPd2,-4.895338178,-0.7264452,0.0,-0.0122075863,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Pd-Pr,10.0,AB2C2_tP10_127_a_g_h:Cd-Pd-Pr +mp-569508,Pr6Cd4Pd13,-5.0678550522,-0.7324003957,0.0,-0.0400549726,GGA,Im-3m,A4B13C6_cI46_229_c_ah_e:Cd-Pd-Pr,23.0,"Invalid WP multiplicities - A4B13C6_cI46_229_c_a2h_e:Cd-Pd-Pr, expected Pr6Cd4Pd25 to be Pr6Cd4Pd13" +mp-1018709,Hf2GaSb3,-6.43210583,-0.5438595296000001,0.0,-0.0280263404,GGA,P-4m2,AB2C3_tP6_115_a_g_bg:Ga-Hf-Sb,6.0,AB2C3_tP6_115_a_g_bg:Ga-Hf-Sb +mp-11953,RbHg11,-0.4533227881,-0.0932379474,0.0,-0.0076286596,GGA,Pm-3m,A11B_cP36_221_agij_c:Hg-Rb,36.0,A11B_cP36_221_agij_c:Hg-Rb +mp-9827,RbHg2,-0.7988580933,-0.2695598258,0.0,-0.0501164556,GGA,Imma,A2B_oI12_74_h_e:Hg-Rb,6.0,A2B_oI12_74_h_e:Hg-Rb +mp-974951,Rb3Hg,-0.8559600725000001,-0.0446394269,0.0638058065,0.0638058065,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Rb,4.0,AB3_cP4_221_a_c:Hg-Rb +mp-974990,Rb3Hg,-0.8511421950000001,-0.0398215494,0.068623684,0.068623684,GGA,Fm-3m,AB3_cF16_225_a_bc:Hg-Rb,4.0,AB3_cF16_225_a_bc:Hg-Rb +mp-11026,Rb3Hg20,-0.5179121091000001,-0.1259464779,0.0128047605,0.0128047605,GGA,Pm-3n,A20B3_cP46_223_acek_d:Hg-Rb,46.0,"Invalid WP multiplicities - A20B3_cP46_223_2a5c8e13k_d:Hg-Rb, expected Rb3Hg205 to be Rb3Hg20" +mp-974862,Rb3Na,-1.014425595,0.0516062827,0.0516062827,0.0516062827,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Rb,4.0,AB3_tI8_139_a_bd:Na-Rb +mp-1186861,Rb3Na,-1.0263854,0.0396464777,0.0396464777,0.0396464777,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Rb,8.0,AB3_hP8_194_c_h:Na-Rb +mp-974866,Rb3Na,-1.0224313875,0.0436004902,0.0436004902,0.0436004902,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Rb,4.0,AB3_cP4_221_a_c:Na-Rb +mp-974883,Rb3Na,-1.02352819,0.0425036877,0.0425036877,0.0425036877,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Rb,4.0,AB3_cF16_225_a_bc:Na-Rb +mp-31474,Rb2Hg7,-0.6697627633000001,-0.2156704633,0.0045234904,0.0045234904,GGA,P-3m1,A7B2_hP9_164_ai_d:Hg-Rb,9.0,A7B2_hP9_164_ai_d:Hg-Rb +mp-1097299,Rb2NaHg,-0.5215659675000001,0.3752524834,0.4998206184,0.4998206184,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Na-Rb,4.0,ABC2_oI8_71_a_b_e:Hg-Na-Rb +mp-975298,RbNa3,-1.180296055,0.0567314332,0.0567314332,0.0567314332,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Rb,4.0,A3B_tI8_139_ad_b:Na-Rb +mp-975109,RbNa3,-1.1851128463,0.051914642,0.051914642,0.051914642,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Rb,8.0,A3B_hP8_194_h_c:Na-Rb +mp-975170,RbHg3,-0.6898773325,-0.2169835406,0.0155518811,0.0155518811,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Rb,8.0,A3B_hP8_194_h_c:Hg-Rb +mp-581457,Rb15Hg16,-0.8550771569000001,-0.2238869335,0.0,-0.0151954554,GGA,I4_1/a,A16B15_tI124_88_4f_ae3f:Hg-Rb,62.0,"Invalid WP multiplicities - A16B15_tI124_88_24f_2a4e18f:Hg-Rb, expected Rb41Hg48 to be Rb15Hg16" +mp-31472,Rb5Hg19,-0.6587147738,-0.2140232197,0.0,-0.0105960079,GGA,I4/m,A19B5_tI48_87_ad2i_bh:Hg-Rb,24.0,"Invalid WP multiplicities - A19B5_tI48_87_ad3i_bh:Hg-Rb, expected Rb5Hg27 to be Rb5Hg19" +mp-1212490,Ho(Al5Re)2,-5.4997453256,-0.3514975149,0.0,-0.0167413805,GGA,Cmcm,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Ho-Re,78.0,A10BC2_oC156_63_e6f2g3h_cf_dh:Al-Ho-Re +mp-9952,Hf5ZnSb3,-7.6090112256,-0.5609342833000001,0.0,-0.0628485919,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Hf-Sb-Zn,18.0,A5B3C_hP18_193_dg_g_b:Hf-Sb-Zn +mp-1184521,GdErZn2,-6.132061525,-0.8412294575,0.0,-0.4815787825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Gd-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Gd-Zn +mp-1096451,Al2FeRh,-3.587774055,2.24359613,2.951525585,2.951525585,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Fe-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Fe-Rh +mp-1261855,Al2FeRh,-3.5846576775,2.2467125075,2.9546419625,2.9546419625,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Fe-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Fe-Rh +mp-1183147,Al2FeRh,-6.5279096800000005,-0.696539495,0.01138996,0.01138996,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Fe-Rh,4.0,A2BC_cF16_225_c_a_b:Al-Fe-Rh +mp-1228777,Al4Fe5Rh,-6.708334096,-0.238662372,0.189444083,0.189444083,GGA,P4/mmm,A4B5C_tP10_123_2g_c2h_b:Al-Fe-Rh,10.0,"Invalid WP multiplicities - A4B5C_tP10_123_3g_c4h_b:Al-Fe-Rh, expected Al6Fe9Rh to be Al4Fe5Rh" +mp-861953,AlFeRh2,-7.3319766425,-0.5959234475,0.0,-0.0295125925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Fe-Rh,4.0,ABC2_cF16_225_a_b_c:Al-Fe-Rh +mp-1096257,TiCrRe2,-6.3076502375,4.3017482267,4.5333184139,4.5333184139,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Re-Ti,4.0,AB2C_oI8_71_a_e_b:Cr-Re-Ti +mp-1096619,TiCr2Re,-5.9483820175,3.9631465179,4.16211592,4.16211592,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Re-Ti,4.0,A2BC_oI8_71_e_a_b:Cr-Re-Ti +mp-1218116,TaAlNi,-7.5467784592,-0.4189484125,0.0311766163,0.0311766163,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Ta, expected Ta3(AlNi)2 to be TaAlNi" +mp-1218003,TaAl2Ni9,-6.3852467858,-0.4377335017,0.0,-0.0100211619,GGA,P4/mmm,A2B9C_tP12_123_g_cehi_a:Al-Ni-Ta,12.0,"Invalid WP multiplicities - A2B9C_tP12_123_g_c2eh3i_a:Al-Ni-Ta, expected TaAl2Ni19 to be TaAl2Ni9" +mp-1218041,TaAlNi6,-6.7092878088,-0.4237661162,0.0,-0.0052718563,GGA,P6_3/mmc,AB6C_hP16_194_c_gh_a:Al-Ni-Ta,16.0,AB6C_hP16_194_c_gh_a:Al-Ni-Ta +mp-5921,TaAlNi2,-7.2488620625,-0.4579553575,0.014150127,0.014150127,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ni-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Ni-Ta +mp-1218140,TaAl4Ni15,-6.107975876,-0.4308693185,0.0054089685,0.0054089685,GGA,P4/mmm,A4B15C_tP20_123_2g_ce2h2i_a:Al-Ni-Ta,20.0,"Invalid WP multiplicities - A4B15C_tP20_123_3g_c2e3h7i_a:Al-Ni-Ta, expected Ta(Al2Ni13)3 to be TaAl4Ni15" +mp-1096556,Ti2MoAu,-4.5807445,2.8968845358,3.2064720021,3.2064720021,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Au-Mo-Ti +mp-631255,InSiIr,-4.9658738167,0.7059381633,1.1498157287,1.1498157287,GGA,F-43m,ABC_cF12_216_c_a_b:In-Ir-Si,3.0,ABC_cF12_216_c_a_b:In-Ir-Si +mp-1219110,SmAlZn,-3.689717675,-0.4484158167,0.0,-0.0019553808,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Sm-Zn,6.0,ABC_mC12_12_i_i_i:Al-Sm-Zn +mp-569657,Sm(AlZn)2,-3.379907126,-0.434062123,0.0,-0.0583130423,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Sm-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-Sm-Zn +mp-972504,Sm2AlZn,-3.963152755,-0.3525298275,0.0146709391,0.0146709391,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Sm-Zn +mp-30823,Pu5Os3,-13.0401460813,0.0875156612,0.1560506327,0.1560506327,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Os-Pu,16.0,A3B5_tI32_140_ah_bk:Os-Pu +mp-1102741,PuOs2,-12.3626976792,-0.1218399492,0.0,-0.1218399492,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-Pu,12.0,A2B_hP12_194_ah_f:Os-Pu +mp-30822,PuOs2,-11.8697714367,0.3710862933,0.4929262425,0.3710862933,GGA,Fd-3m,A2B_cF24_227_c_b:Os-Pu,6.0,A2B_cF24_227_c_b:Os-Pu +mp-21225,Pu(SiOs)2,-10.060885164,-0.546243314,0.0,-0.1966773252,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Os-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Os-Pu-Si +mp-1193426,Fe25Mo4,-8.7036689786,0.0940251831,0.0954923238,0.0954923238,GGA,I-43m,A25B4_cI58_217_a2g_c:Fe-Mo,29.0,A25B4_cI58_217_a2g_c:Fe-Mo +mp-985475,Fe3Mo,-8.982437773800001,0.0814906613,0.0841498537,0.0841498537,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Mo,8.0,A3B_hP8_194_h_c:Fe-Mo +mp-1224941,FeMo2,-9.9900539567,0.0637198533,0.0661744926,0.0661744926,GGA,Fmmm,AB2_oF12_69_a_g:Fe-Mo,3.0,AB2_oF12_69_a_g:Fe-Mo +mp-1224897,FeSiMo,-8.5295216825,-0.2825252325,0.0834862679,0.0834862679,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Fe-Mo-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Fe-Mo-Si, expected Fe2Si2Mo3 to be FeSiMo" +mp-1224916,FeSiMo,-8.5467009642,-0.2997045142,0.0663069862,0.0663069862,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Fe-Mo-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Fe-Mo-Si, expected Fe2Si2Mo3 to be FeSiMo" +mp-569594,Fe7Mo6,-9.5635579354,0.0029073823,0.0068725688,0.0068725688,GGA,R-3m,A7B6_hR39_166_ah_3c:Fe-Mo,13.0,"Invalid WP multiplicities - A7B6_hR39_166_a2h_6c:Fe-Mo, expected Fe13Mo12 to be Fe7Mo6" +mp-1095682,Fe2Mo,-9.2637983325,-0.0019008225,0.0016447675,0.0016447675,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Mo,12.0,A2B_hP12_194_ah_f:Fe-Mo +mp-1225226,Fe4Mo,-8.76482551,0.18032148,0.182448834,0.182448834,GGA,I4/mmm,A4B_tI10_139_2e_a:Fe-Mo,5.0,"Invalid WP multiplicities - A4B_tI10_139_3e_a:Fe-Mo, expected Fe6Mo to be Fe4Mo" +mp-1213182,Fe13Mo9,-9.4462208023,-0.0043514059,0.0,-0.002666586,GGA,C2/m,A13B9_mC88_12_e6i3j_9i:Fe-Mo,44.0,A13B9_mC88_12_e6i3j_9i:Fe-Mo +mp-1184741,HoBr2,-4.4754699683,-1.912648125,0.1349015072,0.1349015072,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Ho,6.0,A2B_tP6_136_f_a:Br-Ho +mp-1202615,Ho5IrBr9,-5.1085256173,-2.0600100507,0.0,-0.064499843,GGA,I4_1/a,A9B5C_tI240_88_9f_5f_f:Br-Ho-Ir,120.0,A9B5C_tI240_88_9f_5f_f:Br-Ho-Ir +mp-977375,HoBr3,-4.6138668013,-2.3034933363,0.0,-0.8690072425,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Ho,8.0,A3B_hP8_194_h_c:Br-Ho +mp-1186589,PmHoTl2,-3.8693921675,-0.354832796,0.0,-0.0688270944,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Pm-Tl +mp-1187903,Tm3Np,-6.2299121225,0.3639093653,0.3639093653,0.3639093653,GGA,I4/mmm,AB3_tI8_139_a_bd:Np-Tm,4.0,AB3_tI8_139_a_bd:Np-Tm +mp-1187729,Tm3Np,-6.2480971875,0.3457243003,0.3457243003,0.3457243003,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Tm,4.0,AB3_cP4_221_a_c:Np-Tm +mp-1005727,TmNp3,-10.15883675,0.6709568668,0.6709568668,0.6709568668,GGA,Pm-3m,A3B_cP4_221_c_a:Np-Tm,4.0,A3B_cP4_221_c_a:Np-Tm +mp-865949,TmNpRu2,-9.26202194,-0.2689168939,0.0162549578,0.0162549578,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Np-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Np-Ru-Tm +mp-1185456,Lu2PdAu,-5.307395045,-0.9334788325,0.005936975,0.005936975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Lu-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Lu-Pd +mp-1183909,Eu2AgRh,-8.0049792075,-0.3272623392,0.0371336417,0.0371336417,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Rh,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Rh +mp-865436,Gd2IrRh,-11.8791614925,-0.79041486,0.0,-0.1957855478,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Gd-Ir-Rh +mp-1219530,Sb28(Mo3Ru)3,-6.2530457772,-0.226893444,0.0,-0.029979168,GGA,Cm,A9B3C28_mC80_8_5a2b_3a_8a10b:Mo-Ru-Sb,40.0,"Invalid WP multiplicities - A9B3C28_mC80_8_5a4b_3a_8a20b:Mo-Ru-Sb, expected Sb48Mo13Ru3 to be Sb28(Mo3Ru)3" +mp-1209858,Pr3IrBr3,-5.6569645239,-1.6797878904,0.0,-0.0798881511,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-Ir-Pr,28.0,A3BC3_cI56_214_h_a_g:Br-Ir-Pr +mp-1225743,Cu6GeSb,-4.0431531575,0.1252554819,0.1433909681,0.1433909681,GGA,P-6m2,A6BC_hP8_187_abhi_c_f:Cu-Ge-Sb,8.0,"Invalid WP multiplicities - A6BC_hP8_187_ab2hi_c_f:Cu-Ge-Sb, expected Cu8GeSb to be Cu6GeSb" +mp-1220353,NdAgPb,-4.0080927567,-0.2369759214,0.2201171233,0.1493076015,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Nd-Pb,6.0,ABC_mC12_12_i_i_i:Ag-Nd-Pb +mp-20880,NdAgPb,-4.22820988,-0.4570930447,0.0,-0.0708095218,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Nd-Pb,6.0,ABC_hP6_186_b_a_b:Ag-Nd-Pb +mp-1102395,SbRuSe,-6.2578861883,-0.6247811024000001,0.0,-0.0640980688,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ru-Sb-Se,12.0,ABC_mP12_14_e_e_e:Ru-Sb-Se +mp-1017508,LuTlTe2,-4.5083714275,-1.2158200642,0.0,-0.0539698502,GGA,R-3m,AB2C_hR12_166_a_c_b:Lu-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Lu-Te-Tl +mp-865118,NaPrAu2,-3.7526701975,-0.5898714354,0.0002239544,0.0002239544,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Na-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Na-Pr +mp-1186070,Na3Pr,-1.8718666475,0.3152537613,0.3152537613,0.3152537613,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Pr,4.0,A3B_tI8_139_ad_b:Na-Pr +mp-1186169,NaPr3,-3.683075325,0.2332353146,0.2332353146,0.2332353146,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Pr,4.0,AB3_cP4_221_a_c:Na-Pr +mp-1189287,Er4Ge6Os7,-7.7586917824,-0.4292438776,0.0210909875,0.0210909875,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Er-Ge-Os,17.0,A4B6C7_cI34_229_c_e_ad:Er-Ge-Os +mp-1203201,Er3Ge13Os4,-6.2653495705,-0.3297501572,0.0011234044,0.0011234044,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Er-Ge-Os,40.0,A3B13C4_cP40_223_c_ak_e:Er-Ge-Os +mp-1198064,ErGe2Os,-6.7908982048,-0.5306127173,0.0,-0.0589628338,GGA,Pbam,AB2C_oP48_55_gi_2g2hi_ei:Er-Ge-Os,48.0,AB2C_oP48_55_gi_2g2hi_ei:Er-Ge-Os +mp-1007907,ErTlTe2,-4.5502070775,-1.2459636417,0.0,-0.055503787,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Er-Te-Tl +mp-1187660,YbEuCd2,-3.7836017775,-0.3730043775,0.00142303,0.00142303,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Eu-Yb,,A2BC_cF16_225_c_a_b:Cd-Eu-Yb +mp-973254,LaNdHg2,-3.0497679275,-0.4718891106,0.0157495725,0.0157495725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Nd,4.0,A2BC_cF16_225_c_a_b:Hg-La-Nd +mp-1189135,Dy3Cu3Sb4,-5.0610015465,-0.7976029975000001,0.0,-0.028403601,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Dy-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Dy-Sb +mp-600449,DyCuSb2,-4.94316236,-0.7021633625,0.0004783188,-0.026159567,GGA,C2/m,ABC2_mC16_12_g_i_hi:Cu-Dy-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Dy-Sb +mp-20859,DyCuSb2,-4.9436406788,-0.7026416813,0.0,-0.0266378858,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Dy-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Dy-Sb +mp-1207340,Dy2CuSb3,-1.9291420417,2.3541553033,3.2293686942,3.2293686942,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Dy-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cu-Dy-Sb +mp-1213597,Dy3Cu20Sb11,-4.3860564768,-0.2324239015,0.0335461103,0.0335461103,GGA,F-43m,A20B3C11_cF272_216_e3h_g_ab2eh:Cu-Dy-Sb,68.0,A20B3C11_cF272_216_e3h_g_ab2eh:Cu-Dy-Sb +mp-1215298,ZrTaFe4,-9.2639217492,-0.2163278992,0.0220076058,0.0220076058,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Ta-Zr,12.0,A4BC_hP12_164_abi_d_d:Fe-Ta-Zr +mp-1215420,Zr3TaFe8,-9.0175717183,-0.2458176183,0.0136918458,0.0136918458,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Fe-Ta-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Fe-Ta-Zr, expected Zr3TaFe20 to be Zr3TaFe8" +mp-974642,LiAg2Pb,-2.949598625,-0.1279281392,0.0160272067,0.0160272067,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Pb,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Pb +mp-30349,Li2AgPb,-2.8584247125,-0.2676625108,0.0,-0.0165505083,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ag-Li-Pb,4.0,AB2C_cF16_216_a_bc_d:Ag-Li-Pb +mp-1184979,Li2AgPb,-2.8440379675000003,-0.2532757658,0.014386745,-0.0021637633,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Ag-Li-Pb +mp-1096155,LiAgPb2,-1.807632325,1.2340609275,1.3740082908,1.3740082908,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Li-Pb,4.0,ABC2_oI8_71_a_b_e:Ag-Li-Pb +mp-864965,Mg2RhAu,-4.0116694475,-0.551981955,0.0,-0.01600477,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Mg-Rh,4.0,AB2C_cF16_225_a_c_b:Au-Mg-Rh +mp-1097383,SrSnHg2,-0.7104674575000001,0.8661390521000001,1.2880872754,1.2880872754,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Sn-Sr,4.0,A2BC_oI8_71_e_a_b:Hg-Sn-Sr +mp-867169,Sr2SnHg,-2.57316266,-0.6501028783,0.0,-0.0469485363,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Sn-Sr,4.0,ABC2_cF16_225_a_b_c:Hg-Sn-Sr +mp-1019259,SrSnHg,-2.5527038433,-0.5517886189,0.0,-0.0361914369,GGA,P6_3mc,ABC_hP6_186_b_b_a:Hg-Sn-Sr,6.0,ABC_hP6_186_b_b_a:Hg-Sn-Sr +mp-1078257,Sr(SnHg)2,-2.404222378,-0.3410227993,0.0,-0.0033437108,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Hg-Sn-Sr,10.0,A2B2C_mC20_12_2i_2i_i:Hg-Sn-Sr +mp-1224606,GdLuAl4,-6.0959242517,-0.4993615717,0.0072896758,0.0072896758,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Gd-Lu,6.0,A4BC_cF24_216_e_a_c:Al-Gd-Lu +mp-865099,NaLaHg2,-2.1229194075,-0.4064461254,0.0,-0.0303069024,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Na,4.0,A2BC_cF16_225_c_a_b:Hg-La-Na +mp-973056,Na2CdHg,-1.1172693775,-0.1493641995,0.0112838129,0.0112838129,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Na,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Na +mp-976220,NaCdHg2,-0.883947585,-0.1707536391,0.0057683975,0.0057683975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Na +mp-1213257,Dy6Nb4Al43,-4.6563187535,-0.3335696612,0.0,-0.0097186956,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Nb,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Nb +mp-1212861,Er2(Al3Rh)3,-5.4638280493,-0.8253606421,0.0,-0.1018225951,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Er-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Er-Rh +mp-1223944,HoAlFe,-5.90047222,-0.3011369167,0.0080119374,0.0080119374,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Ho,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Ho, expected Ho3(AlFe)2 to be HoAlFe" +mp-1224022,HoAlFe,-5.906852085,-0.3075167817,0.0016320724,0.0016320724,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Ho,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Ho, expected Ho3(AlFe)2 to be HoAlFe" +mp-1224088,Ho(AlFe)6,-6.3800458977,-0.3895850431,0.0,-0.0409287291,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Ho,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Ho +mp-31179,Ho(Al2Fe)4,-5.69500624,-0.4313831362,0.0,-0.0441441216,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Ho,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Ho +mp-1223779,HoAl7Fe5,-6.0250284431,-0.3979864638,0.0124976258,0.0124976258,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Ho,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Ho +mp-1212162,Ho(Al5Fe)2,-4.8908407096,-0.3540553565,0.0,-0.0100065412,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Ho,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Ho +mp-1224034,Ho2Al3Fe,-5.219008425,-0.407080685,0.0062593206,0.0062593206,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Fe-Ho,6.0,A3BC2_hR18_166_d_a_c:Al-Fe-Ho +mp-1223966,Ho2AlFe3,-6.5813475717,-0.194604705,0.0098161412,0.0098161412,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Fe-Ho,6.0,AB3C2_hR18_166_a_d_c:Al-Fe-Ho +mp-865125,MgGaRh2,-5.5299318975,-0.6906839444,0.0,-0.1182694575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Rh +mp-1096177,Ti2CuIr,-4.5749057525,2.6072504683,3.117934852,3.117934852,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ir-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Ir-Ti +mp-1187431,Ti2CuIr,-7.6834739175,-0.5013176967,0.009366687,0.009366687,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Ti,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Ti +mp-1218073,Ta3Mn8Si,-9.7220414,-0.197476962,0.0690195867,0.0690195867,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Mn-Si-Ta,12.0,A8BC3_hP12_156_2b2d_a_a2c:Mn-Si-Ta +mp-29732,Ta2Mn4Si5,-8.1237100332,-0.1700548897,0.3125736464,0.3125736464,GGA,Ibam,A4B5C2_oI44_72_2j_a2j_f:Mn-Si-Ta,22.0,"Invalid WP multiplicities - A4B5C2_oI44_72_5j_a4j_f:Mn-Si-Ta, expected Ta2Mn10Si9 to be Ta2Mn4Si5" +mp-1097620,TaMn2Si,-5.8090922925,3.0926892685,3.5211767077,3.5211767077,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Si-Ta,4.0,A2BC_oI8_71_e_a_b:Mn-Si-Ta +mp-1105570,TaMnSi,-9.3625906494,-0.5475536654000001,0.0,-0.077598273,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Mn-Si-Ta,18.0,ABC_oI36_46_ac_bc_3b:Mn-Si-Ta +mp-1079623,TaMnSi,-9.3435527878,-0.5285158038000001,0.0190378617,-0.0585604114,GGA,P-62m,ABC_hP9_189_f_bc_g:Mn-Si-Ta,9.0,ABC_hP9_189_f_bc_g:Mn-Si-Ta +mp-1217022,TiAlAu2,-4.948471205,-0.4012632433,0.0429651331,0.0429651331,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Au-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Au-Ti +mp-16482,TiAlAu2,-4.9881175925,-0.4409096308,0.0033187456,0.0033187456,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Au-Ti +mp-16481,TiAlAu,-5.4694282383,-0.4977782894,0.0,-0.0628710203,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Al-Au-Ti,6.0,ABC_hP6_194_c_d_a:Al-Au-Ti +mp-1218026,Ta4(Pd3Rh)3,-7.7573392356,-0.4984035844,0.0136069737,0.0136069737,GGA,P-6m2,A9B3C4_hP16_187_jn_k_adi:Pd-Rh-Ta,16.0,A9B3C4_hP16_187_jn_k_adi:Pd-Rh-Ta +mp-862958,PmRh2Pb,-6.2707143275,-0.4727630444,0.0,-0.1923728558,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pb-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Pb-Pm-Rh +mp-867189,Pm3Pb,-4.809486115,-0.3184176056,0.0,-0.3184176056,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Pm,4.0,AB3_cP4_221_a_c:Pb-Pm +mp-867422,AcPbAu2,-4.2302101,-0.6348135806,0.0,-0.175543831,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Pb,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Pb +mp-609,CrSn2,-5.7422326217,0.1484977717,0.1484977717,0.1484977717,GGA,Fddd,AB2_oF48_70_e_ef:Cr-Sn,12.0,AB2_oF48_70_e_ef:Cr-Sn +mp-1093725,CrSnRu2,-4.9533953925,3.0994607088,3.1745407461,3.1745407461,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Ru-Sn,4.0,AB2C_oI8_71_a_e_b:Cr-Ru-Sn +mp-1206591,CrSnRu2,-8.1219216525,-0.0690655512,0.0060144861,0.0060144861,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Cr-Ru-Sn +mp-981541,TmLuRh2,-6.926807905,-0.9954574842,0.009680635,0.009680635,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Tm +mp-1097146,HfTaMn2,-6.24345323,3.791296081,3.9887417994,3.9887417994,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Mn-Ta,4.0,AB2C_oI8_71_a_e_b:Hf-Mn-Ta +mp-1097364,ZrScAu2,-3.3935181225,1.9634653112,2.6289207125000003,2.6289207125000003,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Sc-Zr +mp-1186212,Np3Au,-10.022685215,0.5066200459,0.5667162717,0.5667162717,GGA,P6_3/mmc,AB3_hP8_194_c_h:Au-Np,8.0,AB3_hP8_194_c_h:Au-Np +mp-977411,NpSnAu2,-6.1314489475,-0.2551700634,0.0,-0.0896766425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Np-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Np-Sn +mp-864613,NpAu3,-5.8726450975,-0.1802886772,0.0,-0.1802886772,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-Np,4.0,A3B_cF16_225_ac_b:Au-Np +mp-864834,NpSnRh2,-8.13940674,-0.2179149209,0.1268189396,0.1268189396,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Np-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Np-Rh-Sn +mp-1183569,CaHoPd2,-5.030296115,-0.7933530225000001,0.0305883186,0.0305883186,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ho-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-Ho-Pd +mp-1078600,TmAgTe2,-4.4983802963,-1.0996294929,0.0,-0.0091161403,GGA,P-42_1m,AB2C_tP8_113_a_e_c:Ag-Te-Tm,8.0,AB2C_tP8_113_a_e_c:Ag-Te-Tm +mp-1216570,TmAgTe2,-4.476975975,-1.0782251717,0.0214043213,0.0122881809,GGA,P3m1,AB2C_hP4_156_a_ab_c:Ag-Te-Tm,4.0,AB2C_hP4_156_a_ab_c:Ag-Te-Tm +mp-12953,TmAgTe2,-4.4824903325,-1.0837395292,0.0158899638,0.0067738234,GGA,P-3m1,AB2C_hP4_164_a_d_b:Ag-Te-Tm,4.0,AB2C_hP4_164_a_d_b:Ag-Te-Tm +mp-1096675,ScBiRu2,-4.4290307625,2.7514100663,3.092506775,3.092506775,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Ru-Sc,4.0,AB2C_oI8_71_a_e_b:Bi-Ru-Sc +mp-1186751,PrHoTl2,-3.8797531125,-0.3576028829,0.0,-0.0028528525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Pr-Tl +mp-1187687,YbEuPt2,-6.9698861825,-0.9851670025,0.0146574155,0.0146574155,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Pt-Yb,,AB2C_cF16_225_a_c_b:Eu-Pt-Yb +mp-1104032,Lu3Ga8Ir3,-5.22079341,-0.6277275329,0.0,-0.0394152882,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Lu,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Ir-Lu +mp-1105702,Zr4NbGa3,-7.1774910544,-0.5054416009,0.0,-0.0070321538,GGA,I4/mcm,A3BC4_tI32_140_ah_b_k:Ga-Nb-Zr,16.0,A3BC4_tI32_140_ah_b_k:Ga-Nb-Zr +mp-1102844,TaNiAs,-7.8344156075,-0.4020713692,0.0430076467,0.0430076467,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ni-Ta,12.0,ABC_oP12_62_c_c_c:As-Ni-Ta +mp-1093665,Zr2CoPt,-4.895230795,2.6734822988,3.3607960275,3.3607960275,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Pt-Zr +mp-972423,TbGa2Pd,-4.7698860962000005,-0.8022761075,0.0,-0.0473820968,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Pd-Tb,8.0,A2BC_oC16_63_f_c_c:Ga-Pd-Tb +mp-1217653,Tb6Ga19Pd3,-4.2007418971,-0.5978966665000001,0.0336002803,0.0336002803,GGA,Cm,A19B3C6_mC56_8_19a_3a_6a:Ga-Pd-Tb,28.0,A19B3C6_mC56_8_19a_3a_6a:Ga-Pd-Tb +mp-571331,Tb4Ga12Pd,-4.1527815465,-0.6201639888,0.0,-0.0401635254,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pd-Tb,17.0,"Invalid WP multiplicities - A12BC4_cI34_229_3d4e_a_c:Ga-Pd-Tb, expected Tb4Ga42Pd to be Tb4Ga12Pd" +mp-12704,TbGaPd,-5.1711040308,-0.89032272,0.0,-0.0500549999999999,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Tb,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Tb +mp-1188749,TbGaPd2,-5.400985405,-0.8954289694,0.0,-0.0451785502,GGA,Pnma,AB2C_oP16_62_c_d_c:Ga-Pd-Tb,16.0,AB2C_oP16_62_c_d_c:Ga-Pd-Tb +mp-1191877,LiGdSn,-7.3231554233,-0.6582831028,0.0,-0.2821939744,GGA,P6_3mc,ABC_hP24_186_ac_bc_bc:Gd-Li-Sn,24.0,ABC_hP24_186_ac_bc_bc:Gd-Li-Sn +mp-972472,SnAs3,-4.13916022,0.3575715475,0.3971683722,0.3971683722,GGA,I4/mmm,A3B_tI8_139_ad_b:As-Sn,4.0,A3B_tI8_139_ad_b:As-Sn +mp-978881,SnAs3,-4.144118765,0.3526130025,0.3922098272,0.3922098272,GGA,Fm-3m,A3B_cF16_225_ac_b:As-Sn,4.0,A3B_cF16_225_ac_b:As-Sn +mp-1187050,Sn3As,-4.036030015,0.1359284775,0.1887242438,0.1887242438,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Sn,8.0,AB3_hP8_194_c_h:As-Sn +mp-1226112,Co5(SnAs)2,-5.8441354133,0.0313056417,0.2129698876,0.2129698876,GGA,P-6m2,A2B5C2_hP9_187_h_c2i_ab:As-Co-Sn,9.0,"Invalid WP multiplicities - A2B5C2_hP9_187_h_c4i_ab:As-Co-Sn, expected Co9(SnAs)2 to be Co5(SnAs)2" +mp-570377,Sn3As4,-4.4159918714,-0.0352505593,0.0326297116,0.0326297116,GGA,P-43m,A4B3_cP7_215_e_c:As-Sn,7.0,A4B3_cP7_215_e_c:As-Sn +mp-1179649,Sn4As3,-3.0669808257,1.2209681221,1.31147515,1.2632266321,GGA,C2/m,A3B4_mC14_12_ai_2i:As-Sn,7.0,A3B4_mC14_12_ai_2i:As-Sn +mp-12531,Sn4As3,-4.3784559757,-0.0905070279,0.0,-0.0482485179,GGA,R-3m,A3B4_hR21_166_ac_2c:As-Sn,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:As-Sn, expected Sn4As5 to be Sn4As3" +mp-2182,SnAs,-4.383646725,-0.049301595,0.0298920544,0.0298920544,GGA,Fm-3m,AB_cF8_225_a_b:As-Sn,2.0,AB_cF8_225_a_b:As-Sn +mp-1016260,Mg3Fe,-3.05635916,0.26135618,0.2722302142,0.2722302142,GGA,Pmm2,AB3_oP4_25_a_bcd:Fe-Mg,4.0,AB3_oP4_25_a_bcd:Fe-Mg +mp-1185789,Mg3Fe,-3.098130275,0.219585065,0.2304590992,0.2304590992,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Mg,8.0,AB3_hP8_194_c_h:Fe-Mg +mp-1016317,Mg7Fe,-2.3115317712,0.1474659238,0.160152297,0.160152297,GGA,P-6m2,AB7_hP8_187_a_djk:Fe-Mg,8.0,AB7_hP8_187_a_djk:Fe-Mg +mp-1185592,Mg149Fe,-1.6604803786,-0.0144020542,0.0,-0.0144020542,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Fe-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Fe-Mg, expected Mg315Fe to be Mg149Fe" +mp-1028010,Mg14ZrFe,-2.3815444388,0.08230822,0.1275773882,0.1275773882,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Zr, expected Mg18ZrFe to be Mg14ZrFe" +mp-1027991,Mg14ZrFe,-2.3165033575,0.1473493013,0.1926184695,0.1926184695,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Zr, expected Mg26ZrFe to be Mg14ZrFe" +mp-1022711,Mg6ZrFe,-3.1400493869,0.1873758806,0.2564918951,0.2564918951,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Zr, expected Mg12ZrFe to be Mg6ZrFe" +mp-1022698,Mg6ZrFe,-3.1860007662,0.1414245012,0.2105405157,0.2105405157,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Zr, expected Mg12ZrFe to be Mg6ZrFe" +mp-1094145,Mg2Fe,-3.74324418,0.14694959,0.1566153982,0.1566153982,GGA,Cmcm,AB2_oC12_63_c_2c:Fe-Mg,6.0,AB2_oC12_63_c_2c:Fe-Mg +mp-1023632,Mg15Fe,-1.9501609288,0.0794779438,0.0930704865,0.0930704865,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Fe-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Fe-Mg, expected Mg27Fe to be Mg15Fe" +mp-862720,Sr2CdIn,-2.155183515,-0.3917934158,0.0,-0.0169822953,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-In-Sr +mp-28757,Nd(AlBr4)3,-3.9688919333,-1.8038160032,0.0,-0.0247020038,GGA,P3_121,A3B12C_hP48_152_ac_6c_b:Al-Br-Nd,48.0,"Invalid WP multiplicities - A3B12C_hP48_152_2a2c_7c_b:Al-Br-Nd, expected Nd(Al3Br7)2 to be Nd(AlBr4)3" +mp-680394,Ca3AlCd17,-1.3931680392,-0.1811917825,0.0042443625,0.0042443625,GGA,R3,AB3C17_hR504_146_2a2b_8b_4a44b:Al-Ca-Cd,168.0,"Invalid WP multiplicities - AB3C17_hR504_146_2a4b_21b_4a131b:Al-Ca-Cd, expected Ca63Al14Cd397 to be Ca3AlCd17" +mp-1095982,Ca2AlCd,-0.8142540475000001,1.35566229,1.6613913907,1.6613913907,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ca-Cd,4.0,AB2C_oI8_71_a_e_b:Al-Ca-Cd +mp-1187937,YbAlAg2,-3.03062571,-0.2930516808,0.0053307331,0.0053307331,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Yb,,A2BC_cF16_225_c_a_b:Ag-Al-Yb +mp-569477,La10Al5Br4,-4.8488734808,-0.9383438218,0.0,-0.0071587186,GGA,I4/mcm,A5B4C10_tI76_140_al_fh_f2l:Al-Br-La,38.0,"Invalid WP multiplicities - A5B4C10_tI76_140_2a2l_f2h_3f9l:Al-Br-La, expected La21Al5Br3 to be La10Al5Br4" +mp-568896,La(AlBr4)3,-4.0080810169,-1.8325138572,0.0,-0.0252767873,GGA,P3_121,A3B12C_hP48_152_ac_6c_b:Al-Br-La,48.0,"Invalid WP multiplicities - A3B12C_hP48_152_3a3c_31c_b:Al-Br-La, expected LaAl9Br62 to be La(AlBr4)3" +mp-31252,La5(AlBr)4,-4.8264580958,-1.2976540831,0.0,-0.0069469062,GGA,I4/mcm,A4B4C5_tI52_140_l_fh_al:Al-Br-La,26.0,"Invalid WP multiplicities - A4B4C5_tI52_140_l_f2h_al:Al-Br-La, expected La5(Al2Br3)2 to be La5(AlBr)4" +mp-569398,La4Al5Br2,-4.7689988845,-0.9891839545,0.0,-0.0174179848,GGA,Cmmm,A5B2C4_oC44_65_gpq_gj_hjp:Al-Br-La,22.0,"Invalid WP multiplicities - A5B2C4_oC44_65_g3p3q_2g2j_2h2j3p:Al-Br-La, expected La10Al13Br4 to be La4Al5Br2" +mp-1215405,ZrAlCr3,-8.112628862,0.137854912,0.3321479498,0.3321479498,GGA,Cmcm,AB3C_oC20_63_a_cg_c:Al-Cr-Zr,10.0,"Invalid WP multiplicities - AB3C_oC20_63_a_2c3g_c:Al-Cr-Zr, expected ZrAlCr8 to be ZrAlCr3" +mp-1237224,ZrAlCr3,-7.728974755,0.521509019,0.7158020568,0.7158020568,GGA,P6_3/mmc,AB3C_hP10_194_a_h_c:Al-Cr-Zr,10.0,AB3C_hP10_194_a_h_c:Al-Cr-Zr +mp-1215346,ZrAlCr,-7.5558073742,-0.2403660642,0.0834556656,0.0834556656,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cr-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cr-Zr, expected Zr3(AlCr)2 to be ZrAlCr" +mp-1215491,Zr2Al3Cr,-6.6998783817,-0.3690156783,0.0654784708,0.0654784708,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Cr-Zr,6.0,A3BC2_hR18_166_d_a_c:Al-Cr-Zr +mp-1096068,ScZnHg2,-0.923339955,1.1265534063,1.3863663936,1.3863663936,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Sc-Zn,4.0,A2BC_oI8_71_e_a_b:Hg-Sc-Zn +mp-1097220,Sc2ZnHg,-1.6741570325,1.8829335138,2.288484685,2.288484685,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-Sc-Zn +mp-1186952,Sc2ZnHg,-3.94750751,-0.3904169637,0.0151342075,0.0151342075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-Sc-Zn +mp-867860,SmZnAu2,-3.738173135,-0.6066496987000001,0.0,-0.0119375585,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sm-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Sm-Zn +mp-1224321,HfAlZn,-5.3589946717,-0.3714918483,0.0,-0.0092378868,GGA,Imma,ABC_oI12_74_a_e_c:Al-Hf-Zn,6.0,ABC_oI12_74_a_e_c:Al-Hf-Zn +mp-1224303,HfAl2Zn,-5.0592802175,-0.3822591425,0.0,-0.031599666,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Al-Hf-Zn,4.0,A2BC_tP4_123_e_a_c:Al-Hf-Zn +mp-1223802,Hf2Al3Zn,-5.8347954333,-0.43298724,0.0,-0.0263114533,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Hf-Zn,6.0,A3B2C_hR18_166_d_c_a:Al-Hf-Zn +mp-1217097,Ti2NiPd,-7.1111009525,-0.4233503217,0.0540767394,0.0540767394,GGA,Pmm2,ABC2_oP4_25_a_b_cd:Ni-Pd-Ti,4.0,ABC2_oP4_25_a_b_cd:Ni-Pd-Ti +mp-973270,Ho2RuAu,-6.0385756575,-0.6103000875,0.0144626507,0.0144626507,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Ho-Ru,4.0,AB2C_cF16_225_a_c_b:Au-Ho-Ru +mp-1105856,NpPt3,-8.4012746963,-0.6109797859,0.0,-0.382531535,GGA,P6_3/mmc,AB3_hP16_194_ac_gh:Np-Pt,16.0,AB3_hP16_194_ac_gh:Np-Pt +mp-1186410,NpPt3,-8.2052100888,-0.4149151784,0.1960646075,-0.1864669275,GGA,P6_3/mmc,AB3_hP8_194_c_h:Np-Pt,8.0,AB3_hP8_194_c_h:Np-Pt +mp-1066577,NpPt,-9.9663530025,-0.4568965019,0.0,-0.0495766446,GGA,Cmcm,AB_oC8_63_c_c:Np-Pt,4.0,AB_oC8_63_c_c:Np-Pt +mp-1186182,Np3Cd,-9.32585362,0.6157035809,0.6157035809,0.6157035809,GGA,I4/mmm,AB3_tI8_139_a_bd:Cd-Np,4.0,AB3_tI8_139_a_bd:Cd-Np +mp-1201611,NpCd11,-1.8907955603,0.0341683598,0.0341683598,0.0341683598,GGA,Pm-3m,A11B_cP36_221_agij_c:Cd-Np,36.0,A11B_cP36_221_agij_c:Cd-Np +mp-1186147,NpCd,-6.71102616,0.2243085606,0.2243085606,0.2243085606,GGA,P-6m2,AB_hP2_187_a_d:Cd-Np,2.0,AB_hP2_187_a_d:Cd-Np +mp-864787,NpCdPt2,-6.740774115,-0.2375400947,0.1821739238,0.1821739238,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Np-Pt,4.0,ABC2_cF16_225_a_b_c:Cd-Np-Pt +mp-1097484,Ta2CrTc,-6.6337483125,4.2985621062,4.5901966556,4.5901966556,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Cr-Ta-Tc +mp-862876,PmAg2Pb,-3.825993585,-0.2939182352,0.0,-0.1230080033,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pb-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Pb-Pm +mp-573812,Cs3As11,-4.1463443195,-0.2937364929,0.0,-0.0161385525,GGA,C2/c,A11B3_mC112_15_11f_3f:As-Cs,56.0,"Invalid WP multiplicities - A11B3_mC112_15_42f_10f:As-Cs, expected Cs5As21 to be Cs3As11" +mp-1206348,Cs(AsIr)2,-6.044170932,-0.4660694236,0.0,-0.1639505521,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Cs-Ir,5.0,A2BC2_tI10_139_e_a_d:As-Cs-Ir +mp-985281,CsIr,-3.286005345,1.580912931,1.580912931,1.580912931,GGA,P4/mmm,AB_tP2_123_a_d:Cs-Ir,2.0,AB_tP2_123_a_d:Cs-Ir +mp-573631,Cs3As7,-3.9186407118,-0.3886371166,0.0,-0.0253856916,GGA,Pbca,A7B3_oP80_61_7c_3c:As-Cs,80.0,"Invalid WP multiplicities - A7B3_oP80_61_49c_14c:As-Cs, expected Cs2As7 to be Cs3As7" +mp-15557,Cs2As3,-3.597984171,-0.4443521792,0.0,-0.0914393004,GGA,Fmmm,A3B2_oF40_69_hm_fg:As-Cs,10.0,A3B2_oF40_69_hm_fg:As-Cs +mp-542220,Cs3As,-2.0642094267,-0.2278780464,0.0,-0.042731305,GGA,P6_3cm,AB3_hP24_185_c_ab2c:As-Cs,24.0,AB3_hP24_185_c_ab2c:As-Cs +mp-1185538,Cs3As,-2.0037659075,-0.1674345272,0.0604435192,0.0177122141,GGA,P6_3/mmc,AB3_hP8_194_c_h:As-Cs,8.0,AB3_hP8_194_c_h:As-Cs +mp-1096448,CaScTl2,-1.7201060425,1.5457327771,1.8458904458,1.8458904458,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Sc-Tl,4.0,ABC2_oI8_71_a_b_e:Ca-Sc-Tl +mp-1096988,GaCuBr3,-2.90044701,-0.5431694735,0.497214014,0.497214014,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:Br-Cu-Ga,10.0,A3BC_tI20_140_ah_b_c:Br-Cu-Ga +mp-1212660,GaCuBr4,-3.3110583675,-1.0878223654,0.0,-0.0343123508,GGA,P-42c,A4BC_tP12_112_n_e_b:Br-Cu-Ga,12.0,A4BC_tP12_112_n_e_b:Br-Cu-Ga +mp-581968,Tm2Pd2Pb,-5.450066006,-0.8452496987,0.0,-0.0723862859,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Pb-Pd-Tm,10.0,AB2C2_tP10_127_a_g_h:Pb-Pd-Tm +mp-1206954,TmPd2Pb,-5.348098795,-0.7110372667,0.0165175987,0.0165175987,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Tm +mp-1194426,Hf9NiMo4,-10.1060512439,-0.1933770732,0.0,-0.0455803096,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Ni,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Ni +mp-1093970,Hf2NiMo,-5.58543278,3.5496084325,3.8869065632,3.8869065632,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mo-Ni,4.0,A2BC_oI8_71_e_a_b:Hf-Mo-Ni +mp-1184448,Gd2TlHg,-8.167595905,-0.4629539071,0.0,-0.017398565,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Gd-Hg-Tl +mp-1097472,ScAgHg2,-1.263223335,1.1798731246,1.4147187717,1.4147187717,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Hg-Sc,4.0,AB2C_oI8_71_a_e_b:Ag-Hg-Sc +mp-1095869,ScAg2Hg,-1.764192505,1.3111228642,1.5493368221,1.5493368221,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Hg-Sc,4.0,A2BC_oI8_71_e_a_b:Ag-Hg-Sc +mp-862702,Sc2AgHg,-4.3145224825,-0.3642288379,0.0,-0.0059538075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Sc,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Sc +mp-1211003,Lu4MgNi,-4.4665125754,-0.2224761071,0.0,-0.0328912425,GGA,F-43m,A4BC_cF96_216_efg_e_e:Lu-Mg-Ni,24.0,A4BC_cF96_216_efg_e_e:Lu-Mg-Ni +mp-1214784,AsOsSe,-6.8448190467,-0.3840199424,0.0,-0.0285265254,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Os-Se,12.0,ABC_mP12_14_e_e_e:As-Os-Se +mp-1224836,GaGe3Rh4,-6.3389319975,-0.5446306141,0.034206165,0.034206165,GGA,R3,AB3C4_hR24_146_a_b_ab:Ga-Ge-Rh,8.0,AB3C4_hR24_146_a_b_ab:Ga-Ge-Rh +mp-1213011,ErSbIr,-6.7343203642,-0.8892689542000001,0.0223224613,0.0223224613,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ir-Sb,12.0,ABC_oP12_62_c_c_c:Er-Ir-Sb +mp-655344,PbSe,-4.3227630625,-0.7184837887000001,0.0781568875,-0.2425983775,GGA,Cm,AB_mC8_8_2a_2a:Pb-Se,4.0,AB_aP4_1_2a_2a:Pb-Se +mp-22009,PbSe,-4.32781112,-0.7235318462,0.07310883,-0.247646435,GGA,Fmm2,AB_oF16_42_c_c:Pb-Se,4.0,AB_tI8_139_e_e:Pb-Se +mp-1079172,PbSe,-4.3483395375,-0.7440602637,0.0525804125,-0.2681748525,GGA,Pnma,AB_oP8_62_c_c:Pb-Se,8.0,AB_oP8_62_c_c:Pb-Se +mp-1063670,PbSe,-4.3495212675,-0.7452419937,0.0513986825,-0.2693565825,GGA,Cmcm,AB_oC8_63_c_c:Pb-Se,4.0,AB_oC8_63_c_c:Pb-Se +mp-21214,PbSe,-4.16389882,-0.5596195462,0.23702113,-0.083734135,GGA,Pm-3m,AB_cP2_221_a_b:Pb-Se,2.0,AB_cP2_221_a_b:Pb-Se +mp-2201,PbSe,-4.4009199500000005,-0.7966406762,0.0,-0.320755265,GGA,Fm-3m,AB_cF8_225_a_b:Pb-Se,2.0,AB_cF8_225_a_b:Pb-Se +mp-1077854,Rh3(PbSe)2,-5.66423448,-0.4485143792,0.0067088643,0.0067088643,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Pb-Rh-Se,7.0,A2B3C2_hR21_166_ab_d_c:Pb-Rh-Se +mp-982261,PbSe2,-4.2026705567,-0.6345138816,0.0,-0.1034200974,GGA,I4/mcm,AB2_tI12_140_a_h:Pb-Se,6.0,AB2_tI12_140_a_h:Pb-Se +mp-865165,HfScCo2,-8.037080305,-0.4105068738,0.0,-0.0246264338,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Sc,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Sc +mp-9694,Tm3(GePd)4,-5.6714333973,-0.8860565855,0.0,-0.0010743723,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Pd-Tm,11.0,A4B4C3_oI22_71_eg_n_bf:Ge-Pd-Tm +mp-1189166,TmGePd2,-5.7789897394,-0.9143330148,0.0,-0.0308209995,GGA,Pnma,AB2C_oP16_62_c_d_c:Ge-Pd-Tm,16.0,AB2C_oP16_62_c_d_c:Ge-Pd-Tm +mp-1205804,Tm2Ge6Pd,-5.1263382189,-0.4741471315,0.0519883678,0.0519883678,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Tm,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Tm +mp-1216607,TmGePd,-5.66521908,-0.9056373839,0.0735262817,-0.0135347733,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Tm,6.0,ABC_mC12_12_i_i_i:Ge-Pd-Tm +mp-980202,TmGePd,-5.7387453617,-0.9791636656,0.0,-0.087061055,GGA,Imm2,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Tm,18.0,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Tm +mp-1206012,Zr6MnTe2,-8.0015118833,-0.5865306768,0.0,-0.0193539277,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Mn-Te-Zr,9.0,AB2C6_hP9_189_a_d_fg:Mn-Te-Zr +mp-3605,Th(CoGe)2,-6.794363516,-0.619053606,0.0,-0.070345613,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Th,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Th +mp-1206887,ThCoGe2,-6.62794293,-0.6858849912,0.0,-0.0596871381,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Th,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Th +mp-1093802,LiAgPd2,-2.07340894,1.7019016825,1.9552458267,1.9552458267,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Li-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Li-Pd +mp-865987,Li2AgPd,-3.29771104,-0.3401401533,0.0,-0.0104020275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Li-Pd,4.0,AB2C_cF16_225_a_c_b:Ag-Li-Pd +mp-974634,LiAg2Pd,-3.3951697225,-0.2066905517,0.0121630692,0.0121630692,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Pd +mp-1103893,Lu2MnSe4,-6.3076446607,-1.7094214832,0.0,-0.016854145,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Lu-Mn-Se,14.0,A2BC4_cF56_227_c_b_e:Lu-Mn-Se +mp-1096299,Li2HgSb,-1.475487715,0.5871441196,1.0650245942,1.0650245942,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Li-Sb,4.0,AB2C_oI8_71_a_e_b:Hg-Li-Sb +mp-975461,Hg3Sb,-1.1532347475,0.1067758362,0.1067758362,0.1067758362,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Sb,4.0,A3B_tI8_139_ad_b:Hg-Sb +mp-977242,Hg3Sb,-1.1342945187,0.125716065,0.125716065,0.125716065,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Sb,8.0,A3B_hP8_194_h_c:Hg-Sb +mp-1184651,Hg3Sb,-1.14278307,0.1172275137,0.1172275137,0.1172275137,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-Sb,4.0,A3B_cF16_225_ac_b:Hg-Sb +mp-1095544,ScGaPd,-5.6757522592,-0.8289366133,0.0,-0.0407040939,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Sc,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Sc +mp-30661,ScGaPd2,-5.8032637025,-0.8731815156,0.0,-0.0630805502,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Pd-Sc +mp-1097333,Sc2GaPd,-3.4080588,1.8101702106,2.5653061725,2.5653061725,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Pd-Sc +mp-1186943,Sc2GaPd,-5.9679026,-0.7496735894000001,0.0054623725,0.0054623725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Pd-Sc +mp-1096236,Ba2GaHg,-0.80466065,0.9877709169,1.447785122,1.447785122,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Ga-Hg,4.0,A2BC_oI8_71_e_a_b:Ba-Ga-Hg +mp-867204,LiCd2Ag,-1.852478965,-0.2056643675,0.0,-0.0339473088,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Cd-Li,4.0,AB2C_cF16_225_a_c_b:Ag-Cd-Li +mp-1096684,Li2CdAg,-1.1235928575,0.7697300167000001,1.0087581925,1.0060611338,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cd-Li,4.0,ABC2_oI8_71_a_b_e:Ag-Cd-Li +mp-1184976,Li2CdAg,-2.13235105,-0.2390281758,0.0,-0.0026970587,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Li,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Li +mp-867872,LiCdAg2,-2.30333576,-0.1791046017,0.0,-0.0022907538,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Li,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Li +mp-1096401,Zn2IrPt,-2.156749525,2.200514155,2.5801590075,2.5801590075,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Ir-Pt-Zn +mp-1018821,NdTlZn,-3.1368386067,-0.3399938769,0.0237671368,0.0237671368,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Nd-Tl-Zn,6.0,ABC_hP6_194_a_c_d:Nd-Tl-Zn +mp-1094262,SrMg5,-1.5228183325,0.0923306181,0.153110592,0.153110592,GGA,Cm,A5B_mC12_8_5a_a:Mg-Sr,12.0,"Invalid WP multiplicities - A5B_mC12_8_10a_a:Mg-Sr, expected SrMg10 to be SrMg5" +mp-1094287,SrMg5,-1.5495079433,0.0656410072,0.1264209811,0.1264209811,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Sr,6.0,A5B_oC12_38_2a3b_a:Mg-Sr +mp-1094295,SrMg5,-1.5450896167,0.0700593339,0.1308393078,0.1308393078,GGA,R32,A5B_hR18_155_cd_b:Mg-Sr,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Sr, expected SrMg10 to be SrMg5" +mp-1094321,SrMg5,-1.4589928833,0.1561560672,0.2169360411,0.2169360411,GGA,P-6m2,A5B_hP6_187_agh_d:Mg-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Mg-Sr, expected SrMg9 to be SrMg5" +mp-981214,SrMg5,-1.6550356767,-0.0398867261,0.0208932478,0.0208932478,GGA,P6/mmm,A5B_hP6_191_cg_a:Mg-Sr,6.0,"Invalid WP multiplicities - A5B_hP6_191_2c3g_a:Mg-Sr, expected SrMg13 to be SrMg5" +mp-1094284,SrMg2,-1.548422465,0.0815953861,0.1740079317,0.1465346483,GGA,Cm,A2B_mC12_8_4a_2a:Mg-Sr,6.0,A2B_mC12_8_4a_2a:Mg-Sr +mp-1094300,SrMg2,-1.6017351117,0.0282827394,0.120695285,0.0932220017,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094491,SrMg2,-1.6353768383,-0.0053589872,0.0870535583,0.059580275,GGA,C2/m,A2B_mC12_12_2i_i:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094316,SrMg2,-1.5640907133000002,0.0659271378,0.1583396833,0.1308664,GGA,C2/c,A2B_mC12_15_f_e:Mg-Sr,6.0,A2B_mC12_15_f_e:Mg-Sr +mp-1094311,SrMg2,-1.5201737417,0.1098441094,0.202256655,0.1747833717,GGA,Amm2,A2B_oC12_38_a3b_2a:Mg-Sr,6.0,A2B_oC12_38_a3b_2a:Mg-Sr +mp-1094279,SrMg2,-1.6054462933,0.0245715578,0.1169841033,0.08951082,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094305,SrMg2,-1.4691031583,0.1609146928,0.2533272383,0.225853955,GGA,Cmcm,A2B_oC12_63_2c_c:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_oC12_63_3c_c:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094331,SrMg2,-1.6217213683,0.0082964828,0.1007090283,0.073235745,GGA,Cmcm,A2B_oC12_63_g_c:Mg-Sr,6.0,A2B_oC12_63_g_c:Mg-Sr +mp-1094301,SrMg2,-1.0241108533,0.6059069978,0.6983195433,0.67084626,GGA,P4_2/mnm,A2B_tP6_136_f_a:Mg-Sr,6.0,A2B_tP6_136_f_a:Mg-Sr +mp-1094282,SrMg2,-1.44798013,0.1820377211,0.2744502667,0.2469769833,GGA,P-3m1,A2B_hP6_164_2d_d:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094310,SrMg2,-1.7179163750000002,-0.0878985239,0.0045140217,-0.0229592617,GGA,R-3m,A2B_hR18_166_ad_c:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_hR18_166_a2d_c:Mg-Sr, expected Sr2Mg7 to be SrMg2" +mp-1094323,SrMg2,-1.45072577,0.1792920811,0.2717046267,0.2442313433,GGA,P-6m2,A2B_hP6_187_adg_h:Mg-Sr,6.0,"Invalid WP multiplicities - A2B_hP6_187_ad2g_h:Mg-Sr, expected SrMg3 to be SrMg2" +mp-1094334,SrMg2,-1.5676655167,0.0623523344,0.15476488,0.1272915967,GGA,P-62m,A2B_hP6_189_ag_c:Mg-Sr,6.0,A2B_hP6_189_ag_c:Mg-Sr +mp-2572,SrMg2,-1.7101292642,-0.0801114131,0.0123011325,-0.0151721508,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mg-Sr,12.0,A2B_hP12_194_ah_f:Mg-Sr +mp-1094457,SrMg2,-1.4359531467,0.1940647044,0.28647725,0.2590039667,GGA,P6_3/mmc,A2B_hP6_194_f_c:Mg-Sr,6.0,A2B_hP6_194_f_c:Mg-Sr +mp-1187198,SrMg2,-1.7224303967,-0.0924125456,0.0,-0.0274732833,GGA,Fd-3m,A2B_cF24_227_c_b:Mg-Sr,6.0,A2B_cF24_227_c_b:Mg-Sr +mp-1103314,SrMgPb,-2.7887644117,-0.4546242206,0.0,-0.0828244846,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Pb-Sr,12.0,ABC_oP12_62_c_c_c:Mg-Pb-Sr +mp-1023511,SrMg15,-1.5615944475,0.0442614402,0.0803033136,0.0803033136,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-Sr,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-Sr, expected SrMg27 to be SrMg15" +mp-1095810,Sr2MgPb,-0.9590860375,1.2138924692,1.6246212743,1.6246212743,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Pb-Sr,4.0,ABC2_oI8_71_a_b_e:Mg-Pb-Sr +mp-1094976,Sr3Mg,-1.5977527175,0.069437385,0.1040920896,0.1040920896,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-Sr,4.0,AB3_oP4_25_a_bcd:Mg-Sr +mp-1094297,Sr3Mg,-1.6387986025,0.0283915,0.0630462046,0.0630462046,GGA,Imm2,AB3_oI8_44_a_bc:Mg-Sr,4.0,AB3_oI8_44_a_bc:Mg-Sr +mp-1094293,Sr3Mg,-1.6122951525,0.05489495,0.0895496546,0.0895496546,GGA,I4/mmm,AB3_tI8_139_a_bd:Mg-Sr,4.0,AB3_tI8_139_a_bd:Mg-Sr +mp-1094688,Sr3Mg,-1.5945931725,0.07259693,0.1072516346,0.1072516346,GGA,P-6m2,AB3_hP4_187_a_bh:Mg-Sr,4.0,AB3_hP4_187_a_bh:Mg-Sr +mp-1094309,Sr3Mg,-1.6322994262,0.0348906763,0.0695453808,0.0695453808,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-Sr,8.0,AB3_hP8_194_c_h:Mg-Sr +mp-1094786,Sr3Mg,-1.6274622775,0.039727825,0.0743825296,0.0743825296,GGA,Pm-3m,AB3_cP4_221_a_c:Mg-Sr,4.0,AB3_cP4_221_a_c:Mg-Sr +mp-1094270,Sr3Mg,-1.5945059075,0.072684195,0.1073388996,0.1073388996,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Sr,4.0,AB3_cF16_225_a_bc:Mg-Sr +mp-1016283,SrMg3,-1.537378915,0.0852044858,0.163065262,0.163065262,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Sr,4.0,A3B_oP4_25_abc_d:Mg-Sr +mp-1094302,SrMg3,-1.5353589625,0.0872244383,0.1650852145,0.1650852145,GGA,Imm2,A3B_oI8_44_ac_b:Mg-Sr,4.0,A3B_oI8_44_ac_b:Mg-Sr +mp-1094320,SrMg3,-1.6317019775,-0.0091185767,0.0687421995,0.0687421995,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Sr,4.0,A3B_tI8_139_ad_b:Mg-Sr +mp-1094746,SrMg3,-1.462080145,0.1605032558,0.238364032,0.238364032,GGA,P-6m2,A3B_hP4_187_ah_b:Mg-Sr,4.0,A3B_hP4_187_ah_b:Mg-Sr +mp-1094338,SrMg3,-1.6382793363,-0.0156959354,0.0621648408,0.0621648408,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Sr,8.0,A3B_hP8_194_h_c:Mg-Sr +mp-1094731,SrMg3,-1.59782852,0.0247548808,0.102615657,0.102615657,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Sr,4.0,A3B_cP4_221_c_a:Mg-Sr +mp-971944,SrMg3,-1.6384202925,-0.0158368917,0.0620238845,0.0620238845,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-Sr,4.0,A3B_cF16_225_ac_b:Mg-Sr +mp-1016268,SrMg7,-1.5527789888,0.0586527367,0.1095374704,0.1095374704,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Sr,8.0,A7B_hP8_187_ajk_d:Mg-Sr +mp-1094372,Sr5Mg,-1.64540151,0.0292230428,0.0523261792,0.0523261792,GGA,Cm,AB5_mC12_8_a_5a:Mg-Sr,6.0,AB5_mC12_8_a_5a:Mg-Sr +mp-1094292,Sr5Mg,-1.63054394,0.0440806128,0.0671837492,0.0671837492,GGA,P-62m,AB5_hP6_189_a_cg:Mg-Sr,6.0,AB5_hP6_189_a_cg:Mg-Sr +mp-1094530,Sr5Mg,-1.6038474067,0.0707771461,0.0938802825,0.0938802825,GGA,Amm2,AB5_oC12_38_a_2a3b:Mg-Sr,6.0,AB5_oC12_38_a_2a3b:Mg-Sr +mp-1094360,Sr5Mg,-1.6164218417,0.0582027111,0.0813058475,0.0813058475,GGA,R32,AB5_hR18_155_a_ce:Mg-Sr,6.0,"Invalid WP multiplicities - AB5_hR18_155_a_2c2e:Mg-Sr, expected Sr10Mg to be Sr5Mg" +mp-1094314,Sr5Mg,-1.610083855,0.0645406978,0.0876438342,0.0876438342,GGA,P-6m2,AB5_hP6_187_a_dgh:Mg-Sr,6.0,"Invalid WP multiplicities - AB5_hP6_187_a_d2g2h:Mg-Sr, expected Sr9Mg to be Sr5Mg" +mp-1094306,SrMg,-1.5718108867,0.073075865,0.1423852742,0.1423852742,GGA,C2,AB_mC12_5_ac_bc:Mg-Sr,6.0,AB_mC12_5_ac_bc:Mg-Sr +mp-1094271,SrMg,-1.6225384817,0.02234827,0.0916576792,0.0916576792,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sr,6.0,AB_mC12_8_3a_3a:Mg-Sr +mp-1094332,SrMg,-1.5536702233000002,0.0912165283,0.1605259375,0.1605259375,GGA,Cm,AB_mC12_8_3a_3a:Mg-Sr,6.0,AB_mC12_8_3a_3a:Mg-Sr +mp-1094274,SrMg,-1.673371795,-0.0284850433,0.0408243658,0.0408243658,GGA,C2/m,AB_mC8_12_i_i:Mg-Sr,4.0,AB_mC8_12_i_i:Mg-Sr +mp-1094299,SrMg,-1.6227612967,0.022125455,0.0914348642,0.0914348642,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Sr,6.0,AB_oC12_38_ae_bd:Mg-Sr +mp-1094304,SrMg,-1.519951495,0.1249352567,0.1942446658,0.1942446658,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sr,6.0,AB_oC12_38_2ab_a2b:Mg-Sr +mp-1094308,SrMg,-1.634758425,0.0101283267,0.0794377358,0.0794377358,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sr,6.0,AB_oC12_38_2ab_a2b:Mg-Sr +mp-1094353,SrMg,-1.53260942,0.1122773317,0.1815867408,0.1815867408,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Sr,6.0,AB_oC12_38_2ab_a2b:Mg-Sr +mp-1094880,SrMg,-1.6759442450000002,-0.0310574933,0.0382519158,0.0382519158,GGA,Pmma,AB_oP4_51_e_f:Mg-Sr,4.0,AB_oP4_51_e_f:Mg-Sr +mp-1094944,SrMg,-1.532651495,0.1122352567,0.1815446658,0.1815446658,GGA,Pmmn,AB_oP4_59_a_b:Mg-Sr,4.0,AB_oP4_59_a_b:Mg-Sr +mp-1094327,SrMg,-1.50955328,0.1353334717,0.2046428808,0.2046428808,GGA,P3m1,AB_hP6_156_2ab_a2b:Mg-Sr,6.0,AB_hP6_156_2ab_a2b:Mg-Sr +mp-1094790,SrMg,-1.49810392,0.1467828317,0.2160922408,0.2160922408,GGA,P-3m1,AB_hP4_164_d_d:Mg-Sr,4.0,AB_hP4_164_d_d:Mg-Sr +mp-1094318,SrMg,-1.50791887,0.1369678817,0.2062772908,0.2062772908,GGA,R-3m,AB_hR6_166_a_b:Mg-Sr,2.0,AB_hR6_166_a_b:Mg-Sr +mp-1094286,SrMg,-1.5105929183,0.1342938333,0.2036032425,0.2036032425,GGA,P-6m2,AB_hP6_187_ah_dg:Mg-Sr,6.0,"Invalid WP multiplicities - AB_hP6_187_ah_d2g:Mg-Sr, expected Sr5Mg3 to be SrMg" +mp-1094774,SrMg,-1.51329568,0.1315910717,0.2009004808,0.2009004808,GGA,P-6m2,AB_hP2_187_a_d:Mg-Sr,2.0,AB_hP2_187_a_d:Mg-Sr +mp-1094712,SrMg,-1.1519311,0.4929556517,0.5622650608,0.5622650608,GGA,P6_3/mmc,AB_hP4_194_c_d:Mg-Sr,4.0,AB_hP4_194_c_d:Mg-Sr +mp-1094336,SrMg,-0.950243,0.6946437517,0.7639531608,0.7639531608,GGA,F-43m,AB_cF8_216_a_c:Mg-Sr,2.0,AB_cF8_216_a_c:Mg-Sr +mp-2564,SrMg,-1.70271477,-0.0578280183,0.0114813908,0.0114813908,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Sr,2.0,AB_cP2_221_a_b:Mg-Sr +mp-1094298,SrMg,-1.422401505,0.2224852467,0.2917946558,0.2917946558,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Sr,2.0,AB_cF8_225_a_b:Mg-Sr +mp-1094296,Sr2Mg,-1.5737361733,0.0860194789,0.1322257517,0.1322257517,GGA,Cm,AB2_mC12_8_2a_4a:Mg-Sr,6.0,AB2_mC12_8_2a_4a:Mg-Sr +mp-1094317,Sr2Mg,-1.6488400483,0.0109156039,0.0571218767,0.0571218767,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1094352,Sr2Mg,-1.6589422517,0.0008134006,0.0470196733,0.0470196733,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1097933,Sr2Mg,-1.6801696667,-0.0204140144,0.0257922583,0.0257922583,GGA,C2/m,AB2_mC12_12_i_2i:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1094307,Sr2Mg,-1.6050786717,0.0546769806,0.1008832533,0.1008832533,GGA,C2/c,AB2_mC12_15_e_f:Mg-Sr,6.0,AB2_mC12_15_e_f:Mg-Sr +mp-1094313,Sr2Mg,-1.5330667417,0.1266889106,0.1728951833,0.1728951833,GGA,Amm2,AB2_oC12_38_2a_a3b:Mg-Sr,6.0,AB2_oC12_38_2a_a3b:Mg-Sr +mp-1094281,Sr2Mg,-1.6836028292,-0.0238471769,0.0223590958,0.0223590958,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Sr,12.0,AB2_oC12_63_c_g:Mg-Sr +mp-1094285,Sr2Mg,-1.6264596067,0.0332960456,0.0795023183,0.0795023183,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1094335,Sr2Mg,-1.5522207783000002,0.1075348739,0.1537411467,0.1537411467,GGA,Cmcm,AB2_oC12_63_c_2c:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_oC12_63_c_3c:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1397279,Sr2Mg,-1.6815721,-0.0218164478,0.024389825,0.024389825,GGA,Cmcm,AB2_oC12_63_c_g:Mg-Sr,6.0,AB2_oC12_63_c_g:Mg-Sr +mp-1094288,Sr2Mg,-1.6918239567,-0.0320683044,0.0141379683,0.0141379683,GGA,Immm,AB2_oI6_71_a_e:Mg-Sr,3.0,AB2_oI6_71_a_e:Mg-Sr +mp-1187100,Sr2Mg,-1.6947844967,-0.0350288444,0.0111774283,0.0111774283,GGA,I4/mmm,AB2_tI6_139_a_e:Mg-Sr,3.0,AB2_tI6_139_a_e:Mg-Sr +mp-1100783,Sr2Mg,-1.6737842117,-0.0140285594,0.0321777133,0.0321777133,GGA,I4/mcm,AB2_tI12_140_a_h:Mg-Sr,6.0,AB2_tI12_140_a_h:Mg-Sr +mp-1094333,Sr2Mg,-1.5634566067,0.0962990456,0.1425053183,0.1425053183,GGA,R32,AB2_hR18_155_c_ae:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_hR18_155_c_a2e:Mg-Sr, expected Sr7Mg2 to be Sr2Mg" +mp-1094355,Sr2Mg,-1.5539339617,0.1058216906,0.1520279633,0.1520279633,GGA,P-3m1,AB2_hP6_164_d_2d:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_hP6_164_d_3d:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1094303,Sr2Mg,-1.5660708783,0.0936847739,0.1398910467,0.1398910467,GGA,P-6m2,AB2_hP6_187_g_adh:Mg-Sr,6.0,"Invalid WP multiplicities - AB2_hP6_187_g_ad2h:Mg-Sr, expected Sr3Mg to be Sr2Mg" +mp-1094264,Sr2Mg,-1.5786441333,0.0811115189,0.1273177917,0.1273177917,GGA,P-62m,AB2_hP6_189_c_ag:Mg-Sr,6.0,AB2_hP6_189_c_ag:Mg-Sr +mp-1094294,Sr2Mg,-1.565401225,0.0943544272,0.1405606999999999,0.1405606999999999,GGA,P6_3/mmc,AB2_hP6_194_c_f:Mg-Sr,6.0,AB2_hP6_194_c_f:Mg-Sr +mp-1116,Sr2Mg17,-1.6380805605000002,-0.028409626,0.0177878887,0.0177878887,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Mg-Sr,38.0,"Invalid WP multiplicities - A17B2_hP38_194_fgj2k_bc:Mg-Sr, expected Sr2Mg23 to be Sr2Mg17" +mp-1188044,SrMg149,-1.6236570575,-0.0227822514,0.0,-0.0205159337,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Sr,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l6m16n8o_d:Mg-Sr, expected SrMg315 to be SrMg149" +mp-567526,SrMg4,-1.6440336928,-0.0259109621,0.042785204,0.042785204,GGA,P6_3/mmc,A4B_hP90_194_e2fgh4k_hk:Mg-Sr,90.0,"Invalid WP multiplicities - A4B_hP90_194_4e7f5g5h41k_5h5k:Mg-Sr, expected Sr45Mg298 to be SrMg4" +mp-30782,Sr6Mg23,-1.6890719945,-0.070333999,0.0,-0.0048719543,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mg-Sr,29.0,A23B6_cF116_225_ad2f_e:Mg-Sr +mp-30783,Sr9Mg38,-1.6766048138,-0.0592413462,0.0074336645,0.0074336645,GGA,P6_3/mmc,A38B9_hP94_194_e3fgh4k_hk:Mg-Sr,94.0,A38B9_hP94_194_e3fgh4k_hk:Mg-Sr +mp-1093825,SrMgPb2,-1.51914459,1.1596223208,1.5018872538,1.5018872538,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pb-Sr,4.0,AB2C_oI8_71_a_e_b:Mg-Pb-Sr +mp-1096607,Zn2CuPd,-1.686803025,1.2628409,1.59635876,1.59635876,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pd-Zn,4.0,ABC2_oI8_71_a_b_e:Cu-Pd-Zn +mp-864661,ZnCuPd2,-4.333931025,-0.40425255,0.0,-0.0421311237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Pd-Zn +mp-1219183,Sm2Si3Pt,-6.2145079333,-0.91713132,0.0,-0.0542876822,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Pt-Si-Sm,6.0,AB3C2_oI12_44_a_a2b_ab:Pt-Si-Sm +mp-1206140,Sm2(SiPt)3,-5.0596702562,0.4311455337,1.5262587956,1.5262587956,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Sm,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Sm +mp-1077109,SmSiPt,-6.5273293733,-1.1223168783,0.0,-0.0777656097,GGA,I4_1md,ABC_tI12_109_a_a_a:Pt-Si-Sm,6.0,ABC_tI12_109_a_a_a:Pt-Si-Sm +mp-10298,Sm(SiPt)2,-6.621088859,-1.078791092,0.0,-0.092285731,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Pt-Si-Sm,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_a2c_2b2c_c:Pt-Si-Sm, expected SmSi4Pt3 to be Sm(SiPt)2" +mp-4896,Sm(SiPt)2,-6.550064786,-1.007767019,0.071024073,-0.021261658,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Sm +mp-1208891,Sm2Si5Pt3,-6.424672607,-0.946956369,0.0,-0.0426813365,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Pt-Si-Sm,20.0,A3B5C2_oI40_72_aj_bfj_j:Pt-Si-Sm +mp-1194935,Sm3Si11Pt23,-6.6490190093,-0.8795508176,0.0,-0.0215090104,GGA,Fm-3m,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Sm,74.0,A23B11C3_cF296_225_e2fk_e2f_d:Pt-Si-Sm +mp-1207210,SmSiPt3,-6.73706417,-1.065603345,0.0,-0.0782561988,GGA,P4mm,A3BC_tP5_99_ac_a_b:Pt-Si-Sm,5.0,A3BC_tP5_99_ac_a_b:Pt-Si-Sm +mp-1207214,SmSi3Pt,-6.142893682,-0.729758973,0.0188586075,0.0188586075,GGA,I4mm,AB3C_tI10_107_a_ab_a:Pt-Si-Sm,5.0,AB3C_tI10_107_a_ab_a:Pt-Si-Sm +mp-15442,SmSi3Pt5,-6.6167874731000005,-0.911208937,0.0158759628,0.0158759628,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Pt-Si-Sm,54.0,"Invalid WP multiplicities - A5B3C_hP54_176_7h_5h_h:Pt-Si-Sm, expected SmSi5Pt7 to be SmSi3Pt5" +mp-505206,Ta3SiTe6,-6.6187767483,-0.6329281203,0.0,-0.0100928456,GGA,Pnma,AB3C6_oP40_62_c_3c_3d:Si-Ta-Te,40.0,AB3C6_oP40_62_c_3c_3d:Si-Ta-Te +mp-28509,Ta4SiTe4,-7.9729879564,-0.7030266094000001,0.0,-0.0872413791,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Si-Ta-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Si-Ta-Te +mp-1187592,Tc3Pb,-8.1001781425,0.5984628338,0.5984628338,0.5984628338,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Tc,8.0,AB3_hP8_194_c_h:Pb-Tc +mp-632176,TaTcPb2,-6.68352596,0.7274017187,0.9762442325,0.9762442325,GGA,F-43m,A2BC_cF16_216_ac_b_d:Pb-Ta-Tc,4.0,A2BC_cF16_216_ac_b_d:Pb-Ta-Tc +mp-1097673,Zr2ReTc,-6.10679148,3.8683503675,4.1469132697,4.1469132697,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Re-Tc-Zr +mp-1078708,TcCl3,-5.0740790188,-1.0975167875,0.0709251983,-0.0056478873,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Tc,8.0,A3B_mC16_12_ij_g:Cl-Tc +mp-1190915,TcCl3,-5.1450042171,-1.1684419858,0.0,-0.0765730856,GGA,R-3m,A3B_hR72_166_3h_h:Cl-Tc,24.0,A3B_hR72_166_3h_h:Cl-Tc +mp-631405,ZrTcCl,-6.5081867533,0.4107719917,1.5950654304,1.5950654304,GGA,F-43m,ABC_cF12_216_c_a_b:Cl-Tc-Zr,3.0,ABC_cF12_216_c_a_b:Cl-Tc-Zr +mp-27780,TcCl4,-4.7156172772,-1.1646601602,0.0,-0.2299065716,GGA,Pbca,A4B_oP40_61_4c_c:Cl-Tc,40.0,A4B_oP40_61_4c_c:Cl-Tc +mp-22887,EuCl2,-7.427534295,-2.7761759217,0.0027378783,-0.7177188906,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Eu,12.0,A2B_oP12_62_2c_c:Cl-Eu +mp-1183892,EuCl2,-7.4302721733,-2.7789138,0.0,-0.7204567689,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Eu,6.0,A2B_tP6_136_f_a:Cl-Eu +mp-23311,EuBr2,-6.9137311283,-2.4593783083,0.0,-0.6564842894,GGA,P4/n,A2B_tP30_85_ab2g_cg:Br-Eu,30.0,"Invalid WP multiplicities - A2B_tP30_85_ab3g_cg:Br-Eu, expected Eu5Br14 to be EuBr2" +mp-1184273,EuBr2,-6.9116978033,-2.4573449833,0.002033325,-0.6544509644000001,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Eu,6.0,A2B_tP6_136_f_a:Br-Eu +mp-1205810,EuBr3,-5.7572774687,-2.0282557713,0.0,-0.18372204,GGA,Cmcm,A3B_oC16_63_cf_c:Br-Eu,8.0,A3B_oC16_63_cf_c:Br-Eu +mp-1184529,EuBr3,-5.4764719463,-1.7474502488,0.2808055225,0.0970834825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Eu,8.0,A3B_hP8_194_h_c:Br-Eu +mp-569895,EuCl3,-6.266417105,-2.31576416,0.0,-0.23157881,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Eu,8.0,A3B_hP8_176_h_c:Cl-Eu +mp-1212756,EuBrCl,-7.1733458983,-2.6204903017,0.0,-0.0013442475,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Cl-Eu,12.0,ABC_oP12_62_c_c_c:Br-Cl-Eu +mp-855,MgBe13,-3.5882526054,-0.0016349414,0.0,-0.0003111116,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Mg,28.0,A13B_cF112_226_bi_a:Be-Mg +mp-1185696,MgBe3,-2.9657463012000003,0.23888336,0.2437676142,0.2437676142,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-Mg,8.0,A3B_hP8_194_h_c:Be-Mg +mp-1185586,Mg149Be,-1.6329509957,-0.0184100602,0.0,-0.0183983222,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:Be-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:Be-Mg, expected Mg315Be to be Mg149Be" +mp-865185,Mg(BeAs)2,-4.001587974,-0.322119456,0.0,-0.10667161,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Be-Mg,5.0,A2B2C_hP5_164_d_d_a:As-Be-Mg +mp-510184,GdOs2,-12.4285209958,-0.2515686292,0.0,-0.2515686292,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Gd-Os,12.0,AB2_hP12_194_f_ah:Gd-Os +mp-1212456,GdGa3Os,-7.3622722087,-0.4847166612,0.0,-0.020392068,GGA,Pm-3m,A3BC_cP15_221_ag_d_c:Ga-Gd-Os,15.0,A3BC_cP15_221_ag_d_c:Ga-Gd-Os +mp-1186687,Pr2IrRh,-7.0125224575,-0.5713840675,0.0649515879,0.0649515879,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Pr-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Pr-Rh +mp-1184109,DyTmCu2,-4.588231475,-0.2679725742,0.00289152,0.00289152,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-Tm +mp-864696,Ho2CoOs,-7.0312772375,-0.1561514962,0.1114840066,0.1114840066,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ho-Os,4.0,AB2C_cF16_225_a_c_b:Co-Ho-Os +mp-1183768,CeNdHg2,-3.1968027775,-0.3696534481,0.010752455,0.010752455,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Nd +mp-1183755,CeNd3,-4.9764492375,0.0829336256,0.0829336256,0.0829336256,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Nd,4.0,AB3_cP4_221_a_c:Ce-Nd +mp-1184249,ErTmHg2,-2.8901802125,-0.4774514717,0.0060084025,0.0060084025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Tm,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Tm +mp-1183672,CaTmIn2,-3.413827305,-0.4176266142,0.019046715,0.019046715,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-In-Tm,4.0,AB2C_cF16_225_a_c_b:Ca-In-Tm +mp-1103189,LaTeCl,-5.6229141808000005,-2.3136309614,0.0,-0.0074080437,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-La-Te,12.0,ABC_oP12_62_c_c_c:Cl-La-Te +mp-1018752,LaTeCl,-5.6197315533,-2.3104483339,0.0031826275,-0.0042254162,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-La-Te,6.0,ABC_tP6_129_a_c_c:Cl-La-Te +mp-1185447,LiYbPd2,-4.0879050175,-0.6358313258,0.0148279921,0.0148279921,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Yb,,AB2C_cF16_225_a_c_b:Li-Pd-Yb +mp-864771,LiYb2Pd,-2.9613199775,-0.4193146683,0.0792592771,0.0792592771,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-Yb,,ABC2_cF16_225_a_b_c:Li-Pd-Yb +mp-1212118,HoSbRh,-6.4197716075,-1.0611989475,0.0,-0.1447305844,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Rh-Sb,12.0,ABC_oP12_62_c_c_c:Ho-Rh-Sb +mp-864660,HoSbRh2,-6.593196815,-0.7331903525,0.0948221538,0.0948221538,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Sb +mp-1232424,PmGdMg2,-5.6066220475,-0.0998158819,0.00587437,0.00587437,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Mg-Pm,4.0,AB2C_cF16_225_a_c_b:Gd-Mg-Pm +mp-1186564,Pm3Gd,-7.0715235875,0.0104137144,0.0104137144,0.0104137144,GGA,I4/mmm,AB3_tI8_139_a_bd:Gd-Pm,4.0,AB3_tI8_139_a_bd:Gd-Pm +mp-1186522,Pm3Gd,-7.0742753625,0.0076619394,0.0076619394,0.0076619394,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Pm,4.0,AB3_cP4_221_a_c:Gd-Pm +mp-1186601,PmGd3,-11.7219511475,0.0227761131,0.0227761131,0.0227761131,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-Pm,4.0,A3B_cP4_221_c_a:Gd-Pm +mp-1212195,Ho5SbPt2,-5.8974279213,-0.9995138925,0.0198255435,0.0198255435,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Ho-Pt-Sb,16.0,A5B2C_tI32_140_cl_h_a:Ho-Pt-Sb +mp-16376,HoSbPt,-6.2081261033,-1.2806116267,0.0,-0.2494445751,GGA,F-43m,ABC_cF12_216_a_c_b:Ho-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Ho-Pt-Sb +mp-1103238,LuGaPd,-5.1116327992,-0.8686566817,0.0,-0.0208614025,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Lu-Pd,12.0,ABC_oP12_62_c_c_c:Ga-Lu-Pd +mp-1190231,Lu4Ga12Pd,-4.0605953176,-0.5546637788000001,0.0,-0.0110352047,GGA,Im-3m,A12B4C_cI34_229_de_c_a:Ga-Lu-Pd,17.0,A12B4C_cI34_229_de_c_a:Ga-Lu-Pd +mp-1222724,Lu6Ga19Pd3,-4.1074410146,-0.5288991226,0.045062458,0.045062458,GGA,Cm,A19B6C3_mC56_8_19a_6a_3a:Ga-Lu-Pd,28.0,A19B6C3_mC56_8_19a_6a_3a:Ga-Lu-Pd +mp-865607,LuGaPd2,-5.345207115,-0.8680045744,0.0,-0.00657296,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Lu-Pd,4.0,ABC2_cF16_225_a_b_c:Ga-Lu-Pd +mp-1079942,LuGa2Pd,-4.72379519,-0.7845390962000001,0.0,-0.0620705635,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Lu-Pd,8.0,A2BC_oC16_63_f_c_c:Ga-Lu-Pd +mp-1104225,Lu3Ga9Pd2,-4.2611043529,-0.6057129684,0.006880958,0.006880958,GGA,Immm,A9B3C2_oI28_71_b2n_ag_f:Ga-Lu-Pd,14.0,A9B3C2_oI28_71_b2n_ag_f:Ga-Lu-Pd +mp-1093971,Sr2LiHg,-0.45469448,0.9432030546,1.2372096234,1.2372096234,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Li-Sr,4.0,ABC2_oI8_71_a_b_e:Hg-Li-Sr +mp-972285,Sr3Li,-1.649650555,0.0947002517,0.095743432,0.095743432,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Sr,4.0,AB3_tI8_139_a_bd:Li-Sr +mp-1187126,Sr3Li,-1.6723445362,0.0720062704,0.0730494507,0.0730494507,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Sr,8.0,AB3_hP8_194_c_h:Li-Sr +mp-7507,Sr3Li2,-1.775047855,0.0022173637,0.0038864522,0.0038864522,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Li-Sr,20.0,A2B3_tP20_136_j_dfg:Li-Sr +mp-866669,Sr17(Li2Hg3)3,-1.6713319539,-0.3304554167,0.0,-0.0156978924,GGA,Im-3m,A9B6C17_cI128_229_eh_h_abdk:Hg-Li-Sr,64.0,"Invalid WP multiplicities - A9B6C17_cI128_229_3e2h_h_a3b4d5k:Hg-Li-Sr, expected Sr77(Li2Hg7)3 to be Sr17(Li2Hg3)3" +mp-2272,Sr6Li23,-1.8591306097,0.004393068,0.0063923392,0.0063923392,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Li-Sr,29.0,A23B6_cF116_225_ad2f_e:Li-Sr +mp-1195042,Sr19Li44,-1.8456600236,-0.0029142816,0.0,-0.0029142816,GGA,I-42d,A44B19_tI252_122_2d10e_ac4e:Li-Sr,126.0,A44B19_tI252_122_2d10e_ac4e:Li-Sr +mp-1207613,Yb2(Al3Ir)3,-5.2793723882,-0.7576079904,0.0,-0.1464761882,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Yb,,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Yb +mp-865989,Al2IrRu,-7.288810435,-0.88781334,0.0,-0.07158902,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Ir-Ru +mp-973629,LuAlPd,-5.3822164322,-0.9000803789,0.0,-0.1031716322,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Lu-Pd,9.0,ABC_hP9_189_f_g_bc:Al-Lu-Pd +mp-1025564,LuAl2Pd5,-5.713737835,-0.9747989312,0.0,-0.04862612,GGA,I4/mmm,A2BC5_tI16_139_e_a_bg:Al-Lu-Pd,8.0,A2BC5_tI16_139_e_a_bg:Al-Lu-Pd +mp-11537,NbAlRu2,-8.74586695,-0.6469454625000001,0.0,-0.2210560725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Nb-Ru +mp-1093843,Li2TlZn,-0.92060033,0.9394577925,1.163592855,1.163592855,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Tl-Zn,4.0,A2BC_oI8_71_e_a_b:Li-Tl-Zn +mp-1207458,Zn2As,-2.126315945,0.2665525967,0.3899059484,0.3899059484,GGA,Pn-3m,AB2_cP6_224_a_b:As-Zn,6.0,AB2_cP6_224_a_b:As-Zn +mp-1194247,Eu11(ZnAs2)6,-6.9758481621,-0.8967135993,0.0612680948,0.0612680948,GGA,C2/m,A12B11C6_mC58_12_6i_a5i_3i:As-Eu-Zn,29.0,A12B11C6_mC58_12_6i_a5i_3i:As-Eu-Zn +mp-1104456,Eu2Zn2As3,-6.1077396514,-0.8204759321,0.0017714605,0.0017714605,GGA,C2/m,A3B2C2_mC28_12_3i_2i_2i:As-Eu-Zn,14.0,A3B2C2_mC28_12_3i_2i_2i:As-Eu-Zn +mp-7372,ZnAs,-3.0913828456,-0.1319518381,0.0191857386,0.0191857386,GGA,Pbca,AB_oP16_61_c_c:As-Zn,16.0,AB_oP16_61_c_c:As-Zn +mp-1017559,Eu(ZnAs)2,-5.104116596,-0.68517143,0.0,-0.0731742033,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Eu-Zn,5.0,A2BC2_hP5_164_d_a_d:As-Eu-Zn +mp-971701,ZnAs3,-3.451974955,0.3572997512,0.4745448772,0.4745448772,GGA,Fm-3m,A3B_cF16_225_ac_b:As-Zn,4.0,A3B_cF16_225_ac_b:As-Zn +mp-1203368,Zn3As2,-2.7652681905,-0.1457746625,0.0022493596,-0.040213192,GGA,I4_1cd,A2B3_tI160_110_2a3b_6b:As-Zn,80.0,A2B3_tI160_110_2a3b_6b:As-Zn +mp-680580,Zn3As2,-2.7675175501,-0.1480240221,0.0,-0.0424625516,GGA,P4_2/nbc,A2B3_tP160_133_fghi2k_6k:As-Zn,160.0,"Invalid WP multiplicities - A2B3_tP160_133_7f6g8h8i24k_81k:As-Zn, expected Zn162As77 to be Zn3As2" +mp-15700,Zn3As2,-2.76350757,-0.144014042,0.0040099801,-0.0384525715,GGA,P4_2/nmc,A2B3_tP40_137_cdf_3g:As-Zn,40.0,A2B3_tP40_137_cdf_3g:As-Zn +mp-568240,Zn3As2,-2.7660887837,-0.1465952557,0.0014287663,-0.0410337853,GGA,I4_1/acd,A2B3_tI160_142_deg_3g:As-Zn,80.0,"Invalid WP multiplicities - A2B3_tI160_142_7d6e10g_35g:As-Zn, expected Zn70As33 to be Zn3As2" +mp-1197181,Zn3As2,-2.6995572166,-0.0800636886,0.0679603334,0.0254977819,GGA,I4_1/acd,A2B3_tI160_142_abcef_3g:As-Zn,80.0,A2B3_tI160_142_abcef_3g:As-Zn +mp-1196003,Zn3As2,-2.7432997425,-0.1238062145,0.0242178076,-0.018244744,GGA,Ia-3,A2B3_cI80_206_ad_e:As-Zn,40.0,A2B3_cI80_206_ad_e:As-Zn +mp-7845,Zn3As2,-2.608291599,0.011201929,0.1592259511,0.1167633995,GGA,Pn-3m,A2B3_cP10_224_b_d:As-Zn,10.0,A2B3_cP10_224_b_d:As-Zn +mp-7262,ZnAs2,-3.6823203079,-0.1563268346,0.0,-0.0683589425,GGA,P2_1/c,A2B_mP24_14_4e_2e:As-Zn,24.0,A2B_mP24_14_4e_2e:As-Zn +mp-1208540,Tb2(Al3Rh)3,-5.4813119886,-0.83332354,0.0,-0.1040087965,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Tb +mp-1217066,Ti2Be3Ga,-5.2687305333,-0.2625107582,0.0367999456,0.0367999456,GGA,R-3m,A3BC2_hR18_166_d_a_c:Be-Ga-Ti,6.0,A3BC2_hR18_166_d_a_c:Be-Ga-Ti +mp-11435,Er(TiGa2)2,-5.1704440257,-0.531717321,0.0010784319,0.0010784319,GGA,I4/mmm,AB4C2_tI14_139_a_h_d:Er-Ga-Ti,7.0,AB4C2_tI14_139_a_h_d:Er-Ga-Ti +mp-1097177,Ti2GaMo,-4.307266015,3.1089165265,3.4417715996,3.4417715996,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Ga-Mo-Ti +mp-1097280,Ti2MnGa,-4.1555103425,2.8397634945,3.2136059525,3.2136059525,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mn-Ti,4.0,ABC2_oI8_71_a_b_e:Ga-Mn-Ti +mp-1064731,Ti2MnGa,-7.2605400075,-0.2652661705,0.1085762875,0.1085762875,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ga-Mn-Ti,4.0,ABC2_cF16_216_a_c_bd:Ga-Mn-Ti +mp-865780,TiMn2Ga,-7.54899964,-0.2370949842,0.0338291822,0.0338291822,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-Ti +mp-1093692,Li2SiAu,-2.018251865,1.1110095758,1.5498474625,1.4692822765,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Li-Si,4.0,AB2C_oI8_71_a_e_b:Au-Li-Si +mp-1222602,Li2SiAu,-3.5680993275,-0.4388378867,0.0,-0.080565186,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Si,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Si +mp-1093675,LiSiAu2,-2.36237828,1.1081229442,1.4256639037,1.4256639037,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Li-Si,4.0,A2BC_oI8_71_e_a_b:Au-Li-Si +mp-1025347,Ti2CoSe4,-6.4473386257,-1.1783460916,0.044235305,0.044235305,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Co-Se-Ti,7.0,AB4C2_mC14_12_a_2i_i:Co-Se-Ti +mp-1217213,Ti5CoSe10,-6.4191663063,-1.3226105153,0.0145878872,0.0145878872,GGA,P-1,AB10C5_aP16_2_a_5i_e2i:Co-Se-Ti,16.0,"Invalid WP multiplicities - AB10C5_aP16_2_a_10i_e2i:Co-Se-Ti, expected Ti5CoSe20 to be Ti5CoSe10" +mp-1097522,Be2NiPd,-2.4628966925,2.1468143625,2.6773104,2.6773104,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Ni-Pd,4.0,A2BC_oI8_71_e_a_b:Be-Ni-Pd +mp-866126,DyNbRu2,-8.6081117275,-0.2938874875,0.0,-0.0095511165,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Dy-Nb-Ru +mp-1187607,TmLuAu2,-4.7810496125,-0.8949121267000001,0.0098685487,0.0098685487,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Lu-Tm,4.0,A2BC_cF16_225_c_a_b:Au-Lu-Tm +mp-1226657,CeAs2Au,-5.420556615,-0.7892546237,0.0,-0.0459274419,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Au-Ce,8.0,A2BC_tP8_129_ac_b_c:As-Au-Ce +mp-862917,PmInAu2,-4.2066327075,-0.6941351944,0.0,-0.1012143242,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Pm,4.0,A2BC_cF16_225_c_a_b:Au-In-Pm +mp-867163,Sr2AgPt,-3.5903317825,-0.519662725,0.0667388413,0.0667388413,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Pt-Sr,4.0,ABC2_cF16_225_a_b_c:Ag-Pt-Sr +mp-862873,AcAgHg2,-2.218915,-0.3286420648,0.0161454688,0.0161454688,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ag-Hg,4.0,ABC2_cF16_225_a_b_c:Ac-Ag-Hg +mp-1096551,InFeRh2,-4.053657845,2.433922325,2.6627605025000003,2.6627605025000003,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-In-Rh,4.0,ABC2_oI8_71_a_b_e:Fe-In-Rh +mp-1184829,InFeRh2,-6.701394595,-0.213814425,0.0150237525,0.0150237525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-In-Rh,4.0,ABC2_cF16_225_a_b_c:Fe-In-Rh +mp-1227295,Be4NiGe,-4.2508822517,-0.0240795858,0.165044215,0.165044215,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Ge-Ni,6.0,A4BC_cF24_216_e_a_c:Be-Ge-Ni +mp-1206720,PrBiPd,-5.5572474433,-0.9568218783,0.0,-0.1568252712,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Pr,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Pr +mp-976884,PrBiPd2,-5.453980475,-0.7086908487,0.0813120037,0.0813120037,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Pr,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Pr +mp-1185182,LaEuCd2,-4.603025595,-0.3433284888,0.0,-0.0046368425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Eu-La,4.0,A2BC_cF16_225_c_a_b:Cd-Eu-La +mp-999542,MnFe3,-8.5917988675,0.051220863,0.051220863,0.051220863,GGA,P4/mmm,A3B_tP4_123_ah_b:Fe-Mn,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Fe-Mn, expected MnFe5 to be MnFe3" +mp-1221628,MnFe3,-8.5773706575,0.065649073,0.065649073,0.065649073,GGA,P-6m2,A3B_hP4_187_ah_b:Fe-Mn,4.0,A3B_hP4_187_ah_b:Fe-Mn +mp-999545,Mn3Fe,-8.9677130525,0.0213037191,0.0213037191,0.0213037191,GGA,Pmmm,AB3_oP4_47_a_bl:Fe-Mn,4.0,AB3_oP4_47_a_bl:Fe-Mn +mp-1221635,MnFe4,-8.572868894,0.0355511324,0.0355511324,0.0355511324,GGA,Fmmm,A4B_oF20_69_2g_a:Fe-Mn,5.0,"Invalid WP multiplicities - A4B_oF20_69_3g_a:Fe-Mn, expected MnFe6 to be MnFe4" +mp-1221696,MnFePd6,-6.2704147025,-0.1814987822,0.0,-0.0129040356,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Fe-Mn-Pd,8.0,ABC6_tP8_123_a_b_cdi:Fe-Mn-Pd +mp-1009134,MnFe,-8.723459375000001,0.092558876,0.092558876,0.092558876,GGA,P4/mmm,AB_tP2_123_a_d:Fe-Mn,2.0,AB_tP2_123_a_d:Fe-Mn +mp-1221991,Mn7Fe3,-8.8669158615,0.0875012059,0.0875012059,0.0875012059,GGA,P2_1,A3B7_mP20_4_3a_7a:Fe-Mn,20.0,"Invalid WP multiplicities - A3B7_mP20_4_5a_10a:Fe-Mn, expected Mn2Fe to be Mn7Fe3" +mp-1219315,Sm2(InSn)3,-4.1822530462,-0.4671356681,0.0,-0.0113724469,GGA,Pmmm,A3B2C3_oP8_47_aj_k_bgh:In-Sm-Sn,8.0,A3B2C3_oP8_47_aj_k_bgh:In-Sm-Sn +mp-1093908,Zr2CdHg,-1.95300852,2.6274843263000003,2.7788581367000003,2.7788581367000003,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-Zr,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-Zr +mp-2510,ZrHg,-4.595419905,-0.1697294075,0.0,-0.0462993425,GGA,P4/mmm,AB_tP2_123_a_d:Hg-Zr,2.0,AB_tP2_123_a_d:Hg-Zr +mp-1097262,LaMgAu2,-2.2200102525,1.0510025363,1.7883132425,1.7667497438000002,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Mg,4.0,A2BC_oI8_71_e_a_b:Au-La-Mg +mp-1184999,LaMgAu2,-4.008323495,-0.7373107062,0.0,-0.0215634987,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Mg,4.0,A2BC_cF16_225_c_a_b:Au-La-Mg +mp-1069611,Tm2AlNi2,-5.434816036,-0.5833120287,0.0,-0.006628542,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Tm,5.0,AB2C2_oI10_71_a_f_h:Al-Ni-Tm +mp-16518,TmAl4Ni,-4.7425973733,-0.5362181361,0.0,-0.0180467971,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ni-Tm,12.0,A4BC_oC24_63_acf_c_c:Al-Ni-Tm +mp-1191848,Tm3(AlNi3)2,-5.6553268518,-0.6008288509,0.0,-0.0382488371,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Al-Ni-Tm,22.0,A2B6C3_cI44_229_c_h_e:Al-Ni-Tm +mp-1192029,Tm3AlNi8,-5.7896696596,-0.5051550312,0.0128162021,0.0128162021,GGA,P6_3/mmc,AB8C3_hP24_194_c_abk_df:Al-Ni-Tm,24.0,AB8C3_hP24_194_c_abk_df:Al-Ni-Tm +mp-1192042,Tm3AlNi8,-5.7706784054,-0.4861637771,0.0318074563,0.0318074563,GGA,P6_3/mmc,AB8C3_hP24_194_a_bck_df:Al-Ni-Tm,24.0,AB8C3_hP24_194_a_bck_df:Al-Ni-Tm +mp-16517,TmAl2Ni,-5.089270765,-0.6524898242,0.0,-0.0429918754,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Tm,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Tm +mp-1190028,TmAl3Ni2,-5.2015093917,-0.6560366794,0.0,-0.0014301317,GGA,P6/mmm,A3B2C_hP18_191_fk_l_ad:Al-Ni-Tm,18.0,A3B2C_hP18_191_fk_l_ad:Al-Ni-Tm +mp-1216573,TmAlNi4,-5.762182115,-0.5385224528,0.0,-0.0197678695,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Ni-Tm,6.0,AB4C_oC12_65_a_eh_c:Al-Ni-Tm +mp-1216638,TmAlNi4,-5.6937656,-0.4701059378,0.068416515,0.0486486455,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Ni-Tm,6.0,AB4C_hP6_187_a_ck_e:Al-Ni-Tm +mp-1216813,TmAlNi,-5.2126561708,-0.5454735264,0.0815058725,0.0685841892,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Tm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Tm, expected Tm3(AlNi)2 to be TmAlNi" +mp-1087523,TmAlNi,-5.2941620433,-0.6269793989,0.0,-0.0129216833,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Tm,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Tm +mp-1196561,Ti21Re25,-10.6383196729,-0.2705259343,0.1041488991,0.1041488991,GGA,R-3c,A25B21_hR276_167_b2e3f_e3f:Re-Ti,92.0,A25B21_hR276_167_b2e3f_e3f:Re-Ti +mp-518,Ti5Re24,-11.8828675945,-0.2226568178,0.0,-0.0854365405,GGA,I-43m,A24B5_cI58_217_2g_ac:Re-Ti,29.0,A24B5_cI58_217_2g_ac:Re-Ti +mp-865717,Ti2ReIr,-10.027778295,-0.7592919454,0.0,-0.1315125425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Re-Ti +mp-2179,TiRe,-10.567948405,-0.3979388042,0.0,-0.1124996262,GGA,Pm-3m,AB_cP2_221_a_b:Re-Ti,2.0,AB_cP2_221_a_b:Re-Ti +mp-1018125,Ti2Re,-9.7292181533,-0.3173810806,0.0,-0.0520885444,GGA,P-3m1,AB2_hP3_164_a_d:Re-Ti,3.0,AB2_hP3_164_a_d:Re-Ti +mp-1215672,YbAl7Cu5,-4.0190083631,-0.3071104831,0.0,-0.0072957427,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-Yb,,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-Yb +mp-1207570,YbAl2Cu3,-3.8572494783,-0.3025194867,0.0098695078,0.0098695078,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Al-Cu-Yb,,A2B3C_hP6_191_c_g_a:Al-Cu-Yb +mp-977428,YbAl2Cu,-3.6162559367,-0.3337642842,0.0,-0.0007495416,GGA,R-3m,A2BC_hR36_166_h_ac_bc:Al-Cu-Yb,,"Invalid WP multiplicities - A2BC_hR36_166_h_a2c_bc:Al-Cu-Yb, expected Yb3Al6Cu5 to be YbAl2Cu" +mp-1215847,Yb2Al3Cu,-3.3985138367,-0.32932205,0.0126894306,0.0126894306,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Cu-Yb,,A3BC2_hR18_166_d_a_c:Al-Cu-Yb +mp-1193533,Yb6Al7Cu16,-3.7914618131,-0.3071863921,0.0,-0.0022594451,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Yb,,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Yb +mp-1215569,YbAlCu4,-3.8669973417,-0.2533288767,0.0343392461,0.0343392461,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Yb,,AB4C_hP6_187_a_ck_e:Al-Cu-Yb +mp-1104848,Yb(Al2Cu)4,-3.9703520723,-0.2856565646,0.0,-0.0241117742,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Yb,,A8B4C_tI26_139_ij_f_a:Al-Cu-Yb +mp-1215808,Yb(AlCu)6,-4.0530731685,-0.3139729162,0.0,-0.0214564751,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Yb,,A6B6C_oI26_71_efg_hk_a:Al-Cu-Yb +mp-1215521,YbAlCu,-3.450748565,-0.322618305,0.0178492361,-0.0035628831,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Yb,,ABC_oI12_74_a_c_e:Al-Cu-Yb +mp-1078543,YbAlCu,-3.4685978011,-0.3404675411,0.0,-0.0214121192,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Yb,,ABC_hP9_189_f_bc_g:Al-Cu-Yb +mp-1215553,YbAlCu5,-3.9624324986,-0.2794014329,0.0,-0.0238904581,GGA,I-4m2,AB5C_tI14_119_a_bh_c:Al-Cu-Yb,,AB5C_tI14_119_a_bh_c:Al-Cu-Yb +mp-1093711,BeSiTc2,-4.293217435,3.1782847613,3.5113369219,3.5113369219,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Be-Si-Tc +mp-1216635,TiSnIr,-7.4832141467,-0.5687147961,0.0078060518,0.0078060518,GGA,F-43m,ABC_cF12_216_c_a_b:Ir-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Ir-Sn-Ti +mp-1224524,Hf(Ti2Se5)2,-6.558795248,-1.4589104565,0.0141668153,0.0141668153,GGA,P-3m1,AB10C4_hP15_164_a_5d_2c:Hf-Se-Ti,15.0,"Invalid WP multiplicities - AB10C4_hP15_164_a_10d_3c:Hf-Se-Ti, expected Hf(Ti3Se10)2 to be Hf(Ti2Se5)2" +mp-1224218,HfTiSe4,-6.8299234283,-1.5238689355,0.0193068,0.0193068,GGA,P2/m,AB4C_mP6_10_a_mn_e:Hf-Se-Ti,6.0,"Invalid WP multiplicities - AB4C_mP6_10_c_m2n_e:Hf-Se-Ti, expected HfTiSe6 to be HfTiSe4" +mp-1207675,TmSiIr,-7.3509363975,-1.1044071864,0.0,-0.2222663018,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Tm,12.0,ABC_oP12_62_c_c_c:Ir-Si-Tm +mp-1202399,Tm5(Si5Ir2)2,-6.7496989587,-0.8556940041000001,0.0,-0.0758488,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Tm,38.0,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Tm +mp-884,NdSi2,-5.7619312267,-0.5556700625000001,0.0,-0.0352431042,GGA,I4_1/amd,AB2_tI12_141_a_e:Nd-Si,6.0,AB2_tI12_141_a_e:Nd-Si +mp-7105,NdSi2,-5.450287585,-0.2440264208,0.3116436417,0.2764005375,GGA,Fd-3m,AB2_cF24_227_a_d:Nd-Si,6.0,AB2_cF24_227_a_d:Nd-Si +mp-1210017,NdSiPd,-6.0271917106,-0.9027426197,0.0,-0.0128606878,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Nd-Pd-Si,36.0,ABC_oP36_62_3c_3c_3c:Nd-Pd-Si +mp-640791,Nd5Si4,-5.7045227319,-0.6442994783,0.0099443033,0.0099443033,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Nd-Si,36.0,"Invalid WP multiplicities - A5B4_oP36_62_3c10d_7c4d:Nd-Si, expected Nd23Si15 to be Nd5Si4" +mp-355,Nd5Si4,-5.7143226517,-0.6540993981000001,0.0001443836,0.0001443836,GGA,P4_12_12,A5B4_tP36_92_a2b_2b:Nd-Si,36.0,A5B4_tP36_92_a2b_2b:Nd-Si +mp-4323,Nd(SiPd)2,-6.111564894,-0.9158554715,0.0,-0.0985177117,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Pd-Si +mp-976593,Nd3Si,-5.1545521512,-0.2221120694,0.1536353812,0.1536353812,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Si,8.0,A3B_hP8_194_h_c:Nd-Si +mp-567735,Nd5Si3,-5.5782075825,-0.5636211759,0.0,-0.0117248088,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Nd-Si,16.0,"Invalid WP multiplicities - A5B3_tI32_140_2c2l_ah:Nd-Si, expected Nd10Si3 to be Nd5Si3" +mp-1188498,Nd5Si3,-5.5493481025,-0.5347616959,0.02885948,0.0171346712,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Nd-Si,16.0,A5B3_hP16_193_dg_g:Nd-Si +mp-1220308,Nd2Si3,-5.73533542,-0.5728856290000001,0.051213155,0.051213155,GGA,Imm2,A2B3_oI10_44_ab_2ab:Nd-Si,5.0,A2B3_oI10_44_ab_2ab:Nd-Si +mp-1220272,Nd2Si3,-5.570177396,-0.407727605,0.216371179,0.216371179,GGA,P-6m2,A2B3_hP5_187_i_abc:Nd-Si,5.0,A2B3_hP5_187_i_abc:Nd-Si +mp-1220181,Nd4Si5,-5.7696160889,-0.6363738800000001,0.0333440517,0.0333440517,GGA,Amm2,A4B5_oC18_38_2a2b_2a3b:Nd-Si,9.0,A4B5_oC18_38_2a2b_2a3b:Nd-Si +mp-1220187,Nd4Si7,-5.7540854036,-0.5677384999999999,0.0190355268,0.0190355268,GGA,Pmm2,A4B7_oP11_25_abcd_2a2b2cd:Nd-Si,11.0,A4B7_oP11_25_abcd_2a2b2cd:Nd-Si +mp-1220625,Nd4Si7,-4.7209179591,0.4654289445,1.0522029714,1.0522029714,GGA,Pmm2,A4B7_oP11_25_2a2b_3a4b:Nd-Si,11.0,A4B7_oP11_25_2a2b_3a4b:Nd-Si +mp-1209902,Nd3(Si3Pd10)2,-5.9919915569,-0.8039230508,0.0,-0.080485926,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Nd-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:Nd-Pd-Si +mp-1210018,Nd2Si3Pd,-6.0629905542,-0.8976354267000001,0.0,-0.1348641758,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Nd-Pd-Si,24.0,A2BC3_hP24_194_bh_f_k:Nd-Pd-Si +mp-9967,NdSi,-5.8234745975,-0.7267418662,0.0,-0.0815052272,GGA,Pnma,AB_oP8_62_c_c:Nd-Si,8.0,AB_oP8_62_c_c:Nd-Si +mp-1209845,NdSiPd2,-6.0536929769,-0.9153857062,0.0,-0.0416434722,GGA,Pnma,AB2C_oP16_62_c_d_c:Nd-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Nd-Pd-Si +mp-1206778,NdSiPt3,-6.736762378,-1.0553892935,0.0,-0.0773015202,GGA,P4mm,AB3C_tP5_99_b_ac_a:Nd-Pt-Si,5.0,AB3C_tP5_99_b_ac_a:Nd-Pt-Si +mp-1077762,NdSiPt,-6.5258505933,-1.1043176658,0.0,-0.0909225033,GGA,I4_1md,ABC_tI12_109_a_a_a:Nd-Pt-Si,6.0,ABC_tI12_109_a_a_a:Nd-Pt-Si +mp-1084815,Nd(SiPt)2,-6.629080494,-1.0768704675,0.0,-0.1628864783,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Nd-Pt-Si,10.0,AB2C2_tP10_129_c_ac_bc:Nd-Pt-Si +mp-20950,Nd(SiPt)2,-6.5527184940000005,-1.0005084675,0.076362,-0.0865244783,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Pt-Si +mp-1220324,Nd(SiPt)2,-6.54678318,-0.9945731535,0.082297314,-0.0805891643,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Nd-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:Nd-Pt-Si +mp-1206205,Nd2(SiPt)3,-5.0523082012,0.4508979131,1.53806108,1.53806108,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Nd-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Nd-Pt-Si +mp-1196005,Nd3Si11Pt23,-6.6581002922,-0.8846136168000001,0.0,-0.0299654858,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Nd-Pt-Si,74.0,A3B23C11_cF296_225_d_e2fk_e2f:Nd-Pt-Si +mp-865788,TmPaTc2,-8.8933544725,-0.2154099792,0.0,-0.0293155913,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Tm,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Tm +mp-1102890,TmTc2,-8.6471636217,-0.2481258506,0.0,-0.2481258506,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Tc-Tm,12.0,A2B_hP12_194_ah_f:Tc-Tm +mp-865320,Lu2PdRu,-6.6497034575,-0.77565711,0.0,-0.054088785,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pd-Ru,4.0,A2BC_cF16_225_c_a_b:Lu-Pd-Ru +mp-1096063,Be2CuOs,-2.798775595,2.9025743625,3.0628735252,3.0628735252,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Cu-Os,4.0,A2BC_oI8_71_e_a_b:Be-Cu-Os +mp-1185981,Mn2IrRh,-8.800800695,-0.1691075365,0.0,-0.0013860944,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Mn-Rh,4.0,AB2C_cF16_225_a_c_b:Ir-Mn-Rh +mp-862953,PmSbAu2,-4.539251215,-0.6824243244,0.0,-0.2412036638,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Pm-Sb,4.0,A2BC_cF16_225_c_a_b:Au-Pm-Sb +mp-1213665,Eu2Sb3,-7.5241015143,-0.9439000503,0.0,-0.1946601763,GGA,P2/c,A2B3_mP40_13_ef3g_6g:Eu-Sb,40.0,A2B3_mP40_13_ef3g_6g:Eu-Sb +mp-1184203,Eu3Sb,-9.3560214337,-0.6310197737000001,0.0977827662,0.0977827662,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Sb,8.0,A3B_hP8_194_h_c:Eu-Sb +mp-1105949,Eu5Sb3,-9.0522054,-1.09320381,0.0,-0.0715130727,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Eu-Sb,16.0,A5B3_hP16_193_dg_g:Eu-Sb +mp-1227931,Eu16Sb11,-8.8703939778,-1.1099849985,0.0,-0.0382858453,GGA,P2_12_12,A16B11_oP54_18_2a7c_3b4c:Eu-Sb,54.0,A16B11_tP54_113_2ce3f_ad4e:Eu-Sb +mp-20923,EuSbPt,-7.9000266925,-1.0809812392,0.0,-0.17006693,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Pt-Sb,12.0,ABC_oP12_62_c_c_c:Eu-Pt-Sb +mp-1220486,Nd(SmSb)3,-5.606418755,-1.1334316754,0.0035554539,0.0035554539,GGA,Cc,AB3C3_mC28_9_a_3a_3a:Nd-Sb-Sm,14.0,"Invalid WP multiplicities - AB3C3_mC28_9_a_4a_6a:Nd-Sb-Sm, expected Nd(Sm3Sb2)2 to be Nd(SmSb)3" +mp-675554,Nd(SmSb)3,-5.6031615029,-1.1301744232,0.0068127061,0.0068127061,GGA,P2_13,AB3C3_cP28_198_a_b_3a:Nd-Sb-Sm,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_b_10a:Nd-Sb-Sm, expected NdSm10Sb3 to be Nd(SmSb)3" +mp-1186281,Nd3Sm,-4.7242979163,0.0314591919,0.0314591919,0.0314591919,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Sm,8.0,A3B_hP8_194_h_c:Nd-Sm +mp-974066,Nd3Sm,-4.7456566525,0.0101004556,0.0101004556,0.0101004556,GGA,Pm-3m,A3B_cP4_221_c_a:Nd-Sm,4.0,A3B_cP4_221_c_a:Nd-Sm +mp-1186333,NdSm3,-4.7028229912,0.0281534681,0.0281534681,0.0281534681,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Sm,8.0,AB3_hP8_194_c_h:Nd-Sm +mp-1186323,NdSm3,-4.720716605,0.0102598544,0.0102598544,0.0102598544,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Sm,4.0,AB3_cP4_221_a_c:Nd-Sm +mp-1097440,CaScRh2,-4.167137005,1.5995341763000002,2.2904104355,2.2904104355,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Rh-Sc,4.0,AB2C_oI8_71_a_e_b:Ca-Rh-Sc +mp-1217287,TeRuSe,-5.9714414767,-0.6669015063,0.0123064421,0.0123064421,GGA,P2_13,ABC_cP12_198_a_a_a:Ru-Se-Te,12.0,ABC_cP12_198_a_a_a:Ru-Se-Te +mp-631381,TeRuSe,-4.6699790367,0.6345609337,1.3137688821,1.3137688821,GGA,F-43m,ABC_cF12_216_a_c_b:Ru-Se-Te,3.0,ABC_cF12_216_a_c_b:Ru-Se-Te +mp-267,Te2Ru,-5.8058586017,-0.6188538261000001,0.0,-0.6188538261000001,GGA,Pnnm,AB2_oP6_58_a_g:Ru-Te,6.0,AB2_oP6_58_a_g:Ru-Te +mp-1848,Te2Ru,-5.7995635042,-0.6125587286,0.0062950975,-0.6125587286,GGA,Pa-3,AB2_cP12_205_a_c:Ru-Te,12.0,AB2_cP12_205_a_c:Ru-Te +mp-1078694,ThGaRh,-6.8446707967,-0.9092500825,0.0,-0.1207644528,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Rh-Th,9.0,ABC_hP9_189_f_bc_g:Ga-Rh-Th +mp-684193,Sm11Br24,-4.533430418,-1.9855124921,0.1712256667,0.1712256667,GGA,Pbcn,A24B11_oP140_60_12d_c5d:Br-Sm,140.0,"Invalid WP multiplicities - A24B11_oP140_60_24d_c10d:Br-Sm, expected Sm7Br16 to be Sm11Br24" +mp-672351,Sm6Br13,-4.5272146863,-1.9745365232,0.1774719468,0.1774719468,GGA,C2/c,A13B6_mC76_15_e6f_3f:Br-Sm,38.0,"Invalid WP multiplicities - A13B6_mC76_15_2e23f_9f:Br-Sm, expected Sm3Br8 to be Sm6Br13" +mp-1209058,Sm2TlBr5,-4.1990976219,-1.7534779885,0.2582603869,0.2582603869,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Br-Sm-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Br-Sm-Tl +mp-680266,Sm5Br11,-4.5304376962,-1.9881725522,0.1741821123,0.1741821123,GGA,P2_1/m,A11B5_mP64_11_2e10f_2e4f:Br-Sm,64.0,"Invalid WP multiplicities - A11B5_mP64_11_2e38f_3e13f:Br-Sm, expected Sm29Br78 to be Sm5Br11" +mp-27976,SmBr3,-4.7033501425,-2.3589323612,0.0,-0.7683943195,GGA,Cmcm,A3B_oC16_63_cf_c:Br-Sm,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:Br-Sm, expected SmBr5 to be SmBr3" +mp-972742,SmBr,-4.587499705,-1.4516924725,0.1209291017,0.1209291017,GGA,P-6m2,AB_hP2_187_a_d:Br-Sm,2.0,AB_hP2_187_a_d:Br-Sm +mp-1097627,ScHgAu2,-2.39561392,0.9003644475,1.5144600813,1.5144600813,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hg-Sc,4.0,A2BC_oI8_71_e_a_b:Au-Hg-Sc +mp-1183752,Co3Cu,-6.2374528975,0.1185871163,0.1185871163,0.1185871163,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-Cu,4.0,A3B_tI8_139_ad_b:Co-Cu +mp-1018149,ScCu2,-5.10314733,-0.2595198483,0.0,-0.0565227083,GGA,I4/mmm,A2B_tI6_139_e_a:Cu-Sc,3.0,A2B_tI6_139_e_a:Cu-Sc +mp-1097549,Sc2CoCu,-3.7680979175,2.2000177513,2.5257312225,2.5257312225,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cu-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Cu-Sc +mp-1186940,Sc2CoCu,-6.2795469225,-0.3114312537,0.0142822175,0.0142822175,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cu-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Cu-Sc +mp-973092,ScCu3,-4.82162035,-0.1640980712,0.030541815,0.030541815,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Sc,4.0,A3B_tI8_139_ad_b:Cu-Sc +mp-973100,ScCu3,-4.8129758625,-0.1554535837,0.0391863025,0.0391863025,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-Sc,4.0,A3B_cF16_225_ac_b:Cu-Sc +mp-1169,ScCu,-5.496633165,-0.2807952775,0.0,-0.0861553912,GGA,Pm-3m,AB_cP2_221_a_b:Cu-Sc,2.0,AB_cP2_221_a_b:Cu-Sc +mp-9888,Ir3Se8,-5.5906728245,-0.6377097008,0.0,-0.0793486189,GGA,R-3,A3B8_hR33_148_d_cf:Ir-Se,11.0,"Invalid WP multiplicities - A3B8_hR33_148_d_c2f:Ir-Se, expected Ir3Se14 to be Ir3Se8" +mp-1361,IrSe2,-5.9333079817000005,-0.6565556032000001,0.0,-0.0719883775,GGA,Pnma,AB2_oP24_62_2c_4c:Ir-Se,24.0,AB2_oP24_62_2c_4c:Ir-Se +mp-1228810,AsIrSe,-6.3378969617,-0.6734089408,0.0,-0.1037797467,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ir-Se,12.0,ABC_cP12_198_a_a_a:As-Ir-Se +mp-1184783,Ir3Se,-7.0665717975,0.4362317069,0.6824400581000001,0.6824400581000001,GGA,I4/mmm,A3B_tI8_139_ad_b:Ir-Se,4.0,A3B_tI8_139_ad_b:Ir-Se +mp-685099,IrSe3,-5.3530802896,-0.5215381364,0.0630290893,0.0630290893,GGA,P1,AB3_aP28_1_7a_21a:Ir-Se,28.0,AB3_aP28_1_7a_21a:Ir-Se +mp-1184749,IrSe,-6.1333881325,0.0337846963,0.5262013988,0.5262013988,GGA,P6_3mc,AB_hP4_186_b_b:Ir-Se,4.0,AB_hP4_186_b_b:Ir-Se +mp-481,ScPt3,-7.1764337375,-1.0399664712,0.0,-0.4262750025,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Sc,4.0,A3B_cP4_221_c_a:Pt-Sc +mp-892,ScPt,-7.42918415,-1.2273829375,0.0,-0.225437106,GGA,Pm-3m,AB_cP2_221_a_b:Pt-Sc,2.0,AB_cP2_221_a_b:Pt-Sc +mp-1196981,Sc57Pt13,-6.8526797584,-0.5687444420000001,0.0,-0.0246394306,GGA,Pm-3,A13B57_cP140_200_abjk_efh2j2k2l:Pt-Sc,140.0,A13B57_cP140_200_abjk_efh2j2k2l:Pt-Sc +mp-862368,Sc2NiPt,-7.0134074775,-0.8843554250000001,0.0,-0.0159394856,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Ni-Pt-Sc +mp-11550,Sc2Pt,-7.221955915,-0.9765987383,0.0,-0.0984937909,GGA,Pnma,AB2_oP12_62_c_2c:Pt-Sc,12.0,AB2_oP12_62_c_2c:Pt-Sc +mp-1078793,Th(GePt)2,-6.680798821,-0.920362701,0.0,-0.148515263,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Pt-Th,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Pt-Th +mp-21889,Th(GePt)2,-6.5773321760000005,-0.816896056,0.103466645,-0.045048618,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pt-Th,5.0,A2B2C_tI10_139_e_d_a:Ge-Pt-Th +mp-1208358,Th(Ge3Pt)4,-5.5160515941,-0.3881265476,0.0038559641,0.0038559641,GGA,Im-3,A12B4C_cI34_204_g_c_a:Ge-Pt-Th,17.0,A12B4C_cI34_204_g_c_a:Ge-Pt-Th +mp-616615,Hf8MnTe6,-7.95786091,-0.7792367172,0.0048341923,0.0048341923,GGA,Pmmn,A8BC6_oP30_59_ab3e_a_3e:Hf-Mn-Te,30.0,"Invalid WP multiplicities - A8BC6_oP30_59_2a2b11e_a_10e:Hf-Mn-Te, expected Hf26MnTe20 to be Hf8MnTe6" +mp-727406,TaCl3,-5.9907106083,-1.6398637058,0.1234949274,0.1234949274,GGA,Fd-3m,A3B_cF192_227_fg_f:Cl-Ta,48.0,A3B_cF192_227_fg_f:Cl-Ta +mp-662572,Ta3In2Cl9,-5.6629736764,-1.5405786557,0.0,-0.0077117314,GGA,C2/m,A9B2C3_mC56_12_g2i3j_j_ij:Cl-In-Ta,28.0,"Invalid WP multiplicities - A9B2C3_mC56_12_2g4i9j_j_i2j:Cl-In-Ta, expected Ta5(InCl12)2 to be Ta3In2Cl9" +mp-23274,Ta2Cl5,-6.4319631839,-1.7236433896,0.0,-0.1219898361,GGA,Ia-3d,A5B2_cI336_230_g2h_h:Cl-Ta,168.0,A5B2_cI336_230_g2h_h:Cl-Ta +mp-29465,TaCl4,-5.644236834,-1.79385198,0.0251079943,0.0251079943,GGA,C2/m,A4B_mC20_12_2ij_g:Cl-Ta,10.0,"Invalid WP multiplicities - A4B_mC20_12_2i2j_g:Cl-Ta, expected TaCl6 to be TaCl4" +mp-29831,TaCl5,-5.3727710233,-1.856027535,0.0,-0.361150885,GGA,C2/m,A5B_mC72_12_3i6j_gj:Cl-Ta,36.0,"Invalid WP multiplicities - A5B_mC72_12_3i7j_gj:Cl-Ta, expected Ta3Cl17 to be TaCl5" +mp-1186083,Na3Sm,-1.8236933525,0.3478471513,0.3478471513,0.3478471513,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Sm,4.0,A3B_tI8_139_ad_b:Na-Sm +mp-865109,NaSmTl2,-2.949490915,-0.2578914846,0.0058931308,0.0058931308,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Na-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Na-Sm-Tl +mp-1077183,PrGe2,-5.295768385,-0.6201145633,0.0442321767,0.0442321767,GGA,Imma,A2B_oI12_74_2e_e:Ge-Pr,6.0,A2B_oI12_74_2e_e:Ge-Pr +mp-11722,PrGe2,-5.294478655,-0.6188248333,0.0455219067,0.0455219067,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Pr,6.0,A2B_tI12_141_e_a:Ge-Pr +mp-17124,Pr5Ge3,-5.4017470175,-0.680045475,0.0180981088,0.0180981088,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Pr,16.0,A3B5_hP16_193_g_dg:Ge-Pr +mp-1219862,Pr2Ge3,-5.369944542,-0.683765527,0.0701892137,0.0701892137,GGA,Imm2,A3B2_oI10_44_2ab_ab:Ge-Pr,,A3B2_oI10_44_2ab_ab:Ge-Pr +mp-981551,PrGe5,-4.9062797567,-0.2569389183,0.0752344517,0.0752344517,GGA,Immm,A5B_oI12_71_al_c:Ge-Pr,6.0,A5B_oI12_71_al_c:Ge-Pr +mp-1209801,Pr3Ge5,-5.4144738987,-0.7322418312000001,0.0016290802,0.0016290802,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Pr,16.0,A5B3_oF64_43_a2b_ab:Ge-Pr +mp-867190,Pr4Ge7,-5.4051798986,-0.7247418982,0.0,-0.0146892133,GGA,C222_1,A7B4_oC44_20_a3c_abc:Ge-Pr,22.0,A7B4_oC44_20_a3c_abc:Ge-Pr +mp-1219877,Pr2Ge7,-4.9384705244,-0.2803586917,0.162539135,0.162539135,GGA,Amm2,A7B2_oC18_38_2a5b_2a:Ge-Pr,,A7B2_oC18_38_2a5b_2a:Ge-Pr +mp-1197909,Pr3Ge13Os4,-6.2900021803,-0.3224247252,0.0249917913,0.0249917913,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Pr,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Os-Pr +mp-976061,PrGe3,-5.05850198,-0.39600465,0.102255405,0.102255405,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Pr,4.0,A3B_cP4_221_c_a:Ge-Pr +mp-2102,PrGe,-5.534124455,-0.83215765,0.0021324075,-0.058147105,GGA,Pnma,AB_oP8_62_c_c:Ge-Pr,8.0,AB_oP8_62_c_c:Ge-Pr +mp-511,PrGe,-5.5362568625,-0.8342900575000001,0.0,-0.0602795125,GGA,Cmcm,AB_oC8_63_c_c:Ge-Pr,4.0,AB_oC8_63_c_c:Ge-Pr +mp-1908,Pr5Ge4,-5.4960242981,-0.7852864986,0.0206833664,0.0206833664,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Pr,36.0,A4B5_oP36_62_2cd_c2d:Ge-Pr +mp-570606,Pr4Ge3,-5.5111221793,-0.7978783814,0.0,-0.0366469739,GGA,I-43d,A3B4_cI28_220_a_c:Ge-Pr,14.0,A3B4_cI28_220_a_c:Ge-Pr +mp-1096012,Ca2CdHg,-0.35616266,0.9532798112,1.4063929425,1.4063929425,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Hg,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Hg +mp-1183458,Ca2CdHg,-1.7592342525,-0.4497917812,0.00332135,0.00332135,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Hg,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Hg +mp-866104,CaCdHg2,-1.255381355,-0.3714187625,0.0,-0.0156851033,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Cd-Hg,4.0,ABC2_cF16_225_a_b_c:Ca-Cd-Hg +mp-1104267,Lu(Fe2Ge)2,-7.1030038086,-0.2962765129,0.0,-0.0098718021,GGA,Pnnm,A4B2C_oP14_58_2g_g_a:Fe-Ge-Lu,14.0,A4B2C_oP14_58_2g_g_a:Fe-Ge-Lu +mp-1104494,Lu(Fe2Ge)2,-7.1007372836,-0.2940099879,0.002266525,-0.0076052771,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-Lu,14.0,A4B2C_tP14_136_i_f_a:Fe-Ge-Lu +mp-18450,Lu(FeGe)6,-6.6675785438,-0.2768673969,0.0,-0.0504014176,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Lu,13.0,A6B6C_hP13_191_i_cde_a:Fe-Ge-Lu +mp-1222596,Lu4FeGe8,-5.4181874131,-0.5306454031,0.0227668161,0.0227668161,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Ge-Lu,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Ge-Lu +mp-1210831,Lu4Fe,-4.875706168,0.43505849,0.4875742365,0.4875742365,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-Lu,10.0,AB4_cF40_227_a_e:Fe-Lu +mp-1195842,Lu2Fe17,-8.0823989647,-0.0280694063,0.0272103268,0.0272103268,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Lu,38.0,A17B2_hP38_194_fgjk_bc:Fe-Lu +mp-1101907,LuFe2,-7.30523292,-0.1515686067,0.0234838817,-0.0635652391,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-Lu,12.0,A2B_hP12_194_ah_f:Fe-Lu +mp-2463,LuFe2,-7.3287168017,-0.1750524883,0.0,-0.0870491208,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Lu,6.0,A2B_cF24_227_c_b:Fe-Lu +mp-973954,LuFeGe2,-5.9554747612,-0.3962179012,0.0960706366,0.0960706366,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Lu,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Lu +mp-1193644,Lu6Fe23,-7.7576657631,-0.1046936614,0.0039596072,0.0039596072,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Lu,29.0,A23B6_cF116_225_ad2f_e:Fe-Lu +mp-1096644,Al2OsRh,-3.7907177225,2.7299890175,3.4873293800000003,3.4853895863,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Os-Rh +mp-1258701,Al2OsRh,-5.1281699575,1.3925367825,2.149877145,2.1479373513,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Os-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Os-Rh +mp-1183136,Al2OsRh,-7.2780471025,-0.7573403625,0.0,-0.0019397937,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Os-Rh,4.0,A2BC_cF16_225_c_a_b:Al-Os-Rh +mp-864798,HfZnIr2,-7.96678132,-0.74333107,0.0,-0.0675094167,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Zn,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Zn +mp-1097343,Hf2ZnIr,-4.60921973,2.8939192325,3.5113668161,3.5113668161,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-Zn,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-Zn +mp-570845,Zn(GaNi)3,-4.3281989789,-0.3732787336,0.0,-0.0062026306,GGA,Ia-3d,A3B3C_cI112_230_f_g_a:Ga-Ni-Zn,56.0,A3B3C_cI112_230_f_g_a:Ga-Ni-Zn +mp-30707,Zn36Ga5Ni8,-2.3343540739,-0.1561429818,0.018618087,0.018618087,GGA,P-43m,A5B8C36_cP49_215_ae_2e_fg2i:Ga-Ni-Zn,49.0,A5B8C36_cP49_215_ae_2e_fg2i:Ga-Ni-Zn +mp-1096531,ZnGaNi2,-2.2693492325,1.6926790156,2.027676125,2.0222966617,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Ni-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Ni-Zn +mp-1187935,ZnGaNi2,-4.2970253575,-0.3349971094,0.0,-0.0053794633,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Zn +mp-1093712,Sc2AlHg,-2.150843765,2.0277048363,2.46584752,2.46584752,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Hg-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Hg-Sc +mp-1188974,Ce3Os,-7.3859154094,-0.1292566856,0.0,-0.0363607975,GGA,Pnma,A3B_oP16_62_cd_c:Ce-Os,16.0,A3B_oP16_62_cd_c:Ce-Os +mp-1213963,Ce4Os,-6.619364824,0.372579986,0.4759853345,0.4759853345,GGA,Fd-3m,A4B_cF40_227_e_a:Ce-Os,10.0,A4B_cF40_227_e_a:Ce-Os +mp-1213926,Ce3(Al3Os)4,-6.251852055,-0.5857653632,0.0,-0.0810330431,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Ce-Os,38.0,A12B3C4_hP38_194_bfhk_h_ag:Al-Ce-Os +mp-1102302,CeOs2,-9.7103303733,-0.2477223683,0.0,-0.1902749525,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Ce-Os,12.0,AB2_hP12_194_f_ah:Ce-Os +mp-2098,CeOs2,-9.700271375,-0.23766337,0.0100589983,-0.1802159542,GGA,Fd-3m,AB2_cF24_227_a_d:Ce-Os,6.0,AB2_cF24_227_a_d:Ce-Os +mp-1078304,Ca2AlPd2,-4.403286512,-0.77997867,0.0,-0.0559475122,GGA,C2/c,AB2C2_mC20_15_e_f_f:Al-Ca-Pd,10.0,AB2C2_mC20_15_e_f_f:Al-Ca-Pd +mp-605663,AlPd5,-5.4035257029,-0.4626948896,0.0,-0.0471140771,GGA,Pnma,AB5_oP24_62_c_5c:Al-Pd,24.0,"Invalid WP multiplicities - AB5_oP24_62_c_15c:Al-Pd, expected AlPd15 to be AlPd5" +mp-571039,CaAlPd,-4.380210665,-0.736524825,0.0,-0.0281222317,GGA,Pbcm,ABC_oP12_57_c_d_d:Al-Ca-Pd,12.0,ABC_oP12_57_c_d_d:Al-Ca-Pd +mp-669546,AlPd,-5.3675512912,-0.9048224712,0.0091990188,-0.0967825575,GGA,R-3,AB_hR78_148_a2f_b2f:Al-Pd,26.0,"Invalid WP multiplicities - AB_hR78_148_a8f_b6f:Al-Pd, expected Al49Pd37 to be AlPd" +mp-7189,AlPd,-5.37675031,-0.91402149,0.0,-0.1059815764,GGA,P2_13,AB_cP8_198_a_a:Al-Pd,8.0,AB_cP8_198_a_a:Al-Pd +mp-829,AlPd,-5.33816554,-0.8754367200000001,0.03858477,-0.0673968064,GGA,Pm-3m,AB_cP2_221_a_b:Al-Pd,2.0,AB_cP2_221_a_b:Al-Pd +mp-10901,Al3Pd2,-5.092472462,-0.77317424,0.0,-0.0173712557,GGA,P-3m1,A3B2_hP5_164_ad_d:Al-Pd,5.0,A3B2_hP5_164_ad_d:Al-Pd +mp-2824,AlPd2,-5.5329414417,-0.831161625,0.0,-0.0573250426,GGA,Pnma,AB2_oP12_62_c_2c:Al-Pd,12.0,AB2_oP12_62_c_2c:Al-Pd +mp-1183143,AlPd3,-5.4311398575,-0.6098345425,0.0370937148,0.0370937148,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Pd,4.0,AB3_cP4_221_a_c:Al-Pd +mp-1183127,Al3Pd,-4.4495257975,-0.3453734725,0.1615771631,0.1615771631,GGA,Pm-3m,A3B_cP4_221_c_a:Al-Pd,4.0,A3B_cP4_221_c_a:Al-Pd +mp-16522,Al2Pd,-4.8409358667,-0.6172580433,0.0411081852,0.0411081852,GGA,Fm-3m,A2B_cF12_225_c_a:Al-Pd,3.0,A2B_cF12_225_c_a:Al-Pd +mp-16523,Al3Pd5,-5.4936390731,-0.8516220056,0.0002545856,0.0002545856,GGA,Pbam,A3B5_oP16_55_ah_cgh:Al-Pd,16.0,A3B5_oP16_55_ah_cgh:Al-Pd +mp-1498,Al21Pd8,-4.70064025,-0.5593938048,0.0,-0.026170191,GGA,I4_1/a,A21B8_tI116_88_a5f_2f:Al-Pd,58.0,A21B8_tI116_88_a5f_2f:Al-Pd +mp-1219889,Pr2Ho,-4.7105582550000005,0.0041818717,0.0041818717,0.0041818717,GGA,P-6m2,AB2_hP12_187_adg_h3i:Ho-Pr,12.0,"Invalid WP multiplicities - AB2_hP12_187_ad2g_h6i:Ho-Pr, expected Pr7Ho3 to be Pr2Ho" +mp-982065,PrHo3,-4.6033123775,0.0287207138,0.0287207138,0.0287207138,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Pr,4.0,A3B_tI8_139_ad_b:Ho-Pr +mp-975658,PrHo3,-4.6111522075,0.0208808838,0.0208808838,0.0208808838,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Pr,8.0,A3B_hP8_194_h_c:Ho-Pr +mp-981546,PrHo3,-4.60877725,0.0232558413,0.0232558413,0.0232558413,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Pr,4.0,A3B_cP4_221_c_a:Ho-Pr +mp-976032,PrHoZn2,-3.28825341,-0.3175529487,0.010880085,0.010880085,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Pr-Zn +mp-1186719,Pr3Ho,-4.712068515,0.0192130187,0.0192130187,0.0192130187,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Pr,4.0,AB3_tI8_139_a_bd:Ho-Pr +mp-1186720,Pr3Ho,-4.7014049162,0.0298766175,0.0298766175,0.0298766175,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Pr,8.0,AB3_hP8_194_c_h:Ho-Pr +mp-1219907,PrHo,-4.64402146,0.0376358525,0.0376358525,0.0376358525,GGA,P-6m2,AB_hP2_187_a_d:Ho-Pr,2.0,AB_hP2_187_a_d:Ho-Pr +mp-863743,Pm2SiAg,-4.8709496775000005,-0.4312100079,0.0,-0.2066680696,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Si +mp-972187,ZrSiPt,-7.8153577533,-1.13397376,0.0,-0.2344030231,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Zr,12.0,ABC_oP12_62_c_c_c:Pt-Si-Zr +mp-961711,ZrSiPt,-7.6681443467,-0.9867603533,0.1472134067,-0.0871896164,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Si-Zr,3.0,ABC_cF12_216_c_a_b:Pt-Si-Zr +mp-1187671,Ti3Ni,-7.443306545,-0.0766533625,0.1313430923,0.1313430923,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ni-Ti,8.0,AB3_hP8_194_c_h:Ni-Ti +mp-981209,Ti3Ni,-7.44561432,-0.0789611375,0.1290353173,0.1290353173,GGA,Pm-3m,AB3_cP4_221_a_c:Ni-Ti,4.0,AB3_cP4_221_a_c:Ni-Ti +mp-1216876,TiGaNi6,-6.1040379412,-0.4034869264,0.0,-0.0166361141,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ga-Ni-Ti,8.0,AB6C_tP8_123_a_cdi_b:Ga-Ni-Ti +mp-30705,Ti4Ga3Ni2,-6.2512243833,-0.4482766618,0.0521743678,0.0521743678,GGA,P-62m,A3B2C4_hP9_189_f_c_bg:Ga-Ni-Ti,9.0,A3B2C4_hP9_189_f_c_bg:Ga-Ni-Ti +mp-1194458,Ti6Ga16Ni7,-5.1195604562,-0.4201313107,0.037770525,0.037770525,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ni-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ni-Ti +mp-1808,Ti2Ni,-7.4677021775,-0.2773286064,0.0,-0.0134252553,GGA,Fd-3m,AB2_cF96_227_e_cf:Ni-Ti,24.0,AB2_cF96_227_e_cf:Ni-Ti +mp-640189,TiNi,-7.2147010958,-0.3768867475,0.0189682792,-0.0045894726,GGA,P-1,AB_aP12_2_3i_3i:Ni-Ti,12.0,AB_mP12_11_2e2f_2e2f:Ni-Ti +mp-1048,TiNi,-7.233669375,-0.3958550267,0.0,-0.0235577517,GGA,P2_1/m,AB_mP4_11_e_e:Ni-Ti,4.0,AB_mP4_11_e_e:Ni-Ti +mp-1179013,TiNi,-7.223618965,-0.3858046167,0.01005041,-0.0135073417,GGA,P2_1/m,AB_mP4_11_e_e:Ni-Ti,4.0,AB_mP4_11_e_e:Ni-Ti +mp-603347,TiNi,-7.2162652,-0.3784508517,0.017404175,-0.0061535767,GGA,Pmma,AB_oP4_51_e_f:Ni-Ti,4.0,AB_oP4_51_e_f:Ni-Ti +mp-1067248,TiNi,-7.2316625925,-0.3938482442,0.0020067825,-0.0215509692,GGA,Cmcm,AB_oC8_63_c_c:Ni-Ti,4.0,AB_oC8_63_c_c:Ni-Ti +mp-998945,TiNi,-7.167028405,-0.3292140567,0.06664097,0.0430832183,GGA,P4/mmm,AB_tP2_123_a_d:Ni-Ti,2.0,AB_tP2_123_a_d:Ni-Ti +mp-1067475,TiNi,-7.16192314,-0.3241087917,0.071746235,0.0481884833,GGA,P4/nmm,AB_tP4_129_a_c:Ni-Ti,4.0,AB_tP4_129_a_c:Ni-Ti +mp-1190013,TiNi,-7.1990981188,-0.3612837704,0.0345712562,0.0110135045,GGA,I4/mmm,AB_tI32_139_m_abcde:Ni-Ti,16.0,AB_tI32_139_m_abcde:Ni-Ti +mp-1189328,TiNi,-7.2113041589,-0.3734898106,0.0223652161,-0.0011925356,GGA,P3,AB_hP18_143_abc2d_abc2d:Ni-Ti,18.0,AB_hP18_157_a2b2c_a2b2c:Ni-Ti +mp-2716,TiNi,-7.2089059656,-0.3710916172,0.0247634094,0.0012056577,GGA,P-3,AB_hP18_147_adg_bdg:Ni-Ti,18.0,AB_hP18_147_adg_bdg:Ni-Ti +mp-597,TiNi,-7.2109686133,-0.373154265,0.0227007617,-0.0008569901,GGA,P31m,AB_hP18_157_ab2c_ab2c:Ni-Ti,18.0,AB_hP18_157_a2b2c_a2b2c:Ni-Ti +mp-1216890,TiNi,-6.9372089167,-0.0993945683,0.2964604583,0.2729027066,GGA,P6mm,AB_hP6_183_ab_ab:Ni-Ti,6.0,AB_hP6_183_ab_ab:Ni-Ti +mp-571,TiNi,-7.185175,-0.3473606517,0.048494375,0.0249366233,GGA,Pm-3m,AB_cP2_221_a_b:Ni-Ti,2.0,AB_cP2_221_a_b:Ni-Ti +mp-1025313,TiGa5Ni,-4.4370398257,-0.320452853,0.045363786,0.045363786,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ni-Ti,7.0,A5BC_tP7_123_ci_b_a:Ga-Ni-Ti +mp-30657,TiGaNi2,-6.161989475,-0.5410241252,0.0,-0.0386863359,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Ti +mp-1409,TiNi3,-6.7917706569,-0.4827951427,0.0,-0.2418795652,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Ni-Ti,16.0,"Invalid WP multiplicities - A3B_hP16_194_2gh_ac:Ni-Ti, expected Ti2Ni9 to be TiNi3" +mp-30656,TiGaNi,-6.1171929433,-0.5492847036,0.0,-0.0313900483,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ni-Ti,9.0,ABC_hP9_189_f_bc_g:Ga-Ni-Ti +mp-567653,Ti3Ni4,-7.0997156714,-0.4129981329,0.007696927,0.007696927,GGA,R-3,A4B3_hR42_148_abf_f:Ni-Ti,14.0,"Invalid WP multiplicities - A4B3_hR42_148_ab2f_f:Ni-Ti, expected Ti3Ni7 to be Ti3Ni4" +mp-999053,Ti2GaNi,-6.4148095275,-0.2650053435,0.1909840575,0.1909840575,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ga-Ni-Ti,4.0,ABC2_cF16_216_a_c_bd:Ga-Ni-Ti +mp-1216809,TiNi4,-6.225919308,-0.0227115607,0.3635245535,0.3635245535,GGA,R-3m,A4B_hR15_166_2c_a:Ni-Ti,,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ni-Ti, expected TiNi6 to be TiNi4" +mp-20415,GdPbAu,-7.7039662633,-0.6830824933,0.0,-0.0766084,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Gd-Pb,3.0,ABC_cF12_216_c_a_b:Au-Gd-Pb +mp-1226200,CrMo,-10.13303233,0.11631646,0.11631646,0.11631646,GGA,Cmmm,AB_oC4_65_a_c:Cr-Mo,2.0,AB_oC4_65_a_c:Cr-Mo +mp-1226250,CrMo3,-10.1000854375,0.4474140125,0.4474140125,0.4474140125,GGA,R3m,AB3_hR12_160_a_3a:Cr-Mo,4.0,AB3_hR12_160_a_3a:Cr-Mo +mp-1215231,ZrMo2,-10.02167768,0.05798927,0.197318,0.05798927,GGA,Fmmm,A2B_oF12_69_g_a:Mo-Zr,3.0,A2B_oF12_69_g_a:Mo-Zr +mp-2049,ZrMo2,-10.21899568,-0.13932873,0.0,-0.13932873,GGA,Fd-3m,A2B_cF24_227_c_b:Mo-Zr,6.0,A2B_cF24_227_c_b:Mo-Zr +mp-30790,ZrMo3,-10.0435149225,0.2276478175,0.332144365,0.332144365,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Zr,8.0,A3B_cP8_223_c_a:Mo-Zr +mp-1919,ZrCr2,-9.2969364075,-0.0123378842,0.0200938425,-0.0123378842,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cr-Zr,12.0,A2B_hP12_194_ah_f:Cr-Zr +mp-570608,ZrCr2,-9.3125358821,-0.0279373587,0.0044943679,-0.0279373588,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Cr-Zr,24.0,"Invalid WP multiplicities - A2B_hP24_194_4f6g4h_2e3f:Cr-Zr, expected Zr5Cr19 to be ZrCr2" +mp-903,ZrCr2,-9.31703025,-0.0324317267,0.0,-0.0324317267,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Zr,6.0,A2B_cF24_227_c_b:Cr-Zr +mp-1215206,ZrMo,-9.592093655,0.104581715,0.2090782625,0.2090782625,GGA,Cmmm,AB_oC4_65_a_c:Mo-Zr,2.0,AB_oC4_65_a_c:Mo-Zr +mp-1207454,Zr4Mo,-8.097364846,0.90992568,0.951724299,0.951724299,GGA,Fd-3m,AB4_cF40_227_a_e:Mo-Zr,10.0,AB4_cF40_227_a_e:Mo-Zr +mp-1215269,ZrCrMo,-9.749719595,-0.0675868583,0.01829337,0.01829337,GGA,Imma,ABC_oI12_74_a_c_e:Cr-Mo-Zr,6.0,ABC_oI12_74_a_c_e:Cr-Mo-Zr +mp-1226288,Cr3Mo,-9.845489485,0.105708645,0.105708645,0.105708645,GGA,Cmmm,A3B_oC8_65_bk_c:Cr-Mo,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Cr-Mo, expected Cr5Mo to be Cr3Mo" +mp-1207443,Zr4Cr,-7.939814309,0.828955689,0.838685207,0.838685207,GGA,Fd-3m,AB4_cF40_227_a_e:Cr-Zr,10.0,AB4_cF40_227_a_e:Cr-Zr +mp-1213497,Gd2(Ga3Ir)3,-6.528470505,-0.6770125605,0.0,-0.1207354679,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Gd-Ir,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Gd-Ir +mp-1080773,Pr(AsRh)2,-6.693450492,-0.927898831,0.0,-0.05516291,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Pr-Rh,10.0,A2BC2_tP10_129_ac_c_bc:As-Pr-Rh +mp-7097,ThAs2,-6.6261620583,-1.0487970383,0.0,-0.0068887444,GGA,P4/nmm,A2B_tP6_129_ac_c:As-Th,6.0,A2B_tP6_129_ac_c:As-Th +mp-1217386,Th3(SbAs)2,-6.8376784579,-1.1494193093,0.0394554214,0.0394554214,GGA,I2_13,A2B2C3_cI28_199_a_a_b:As-Sb-Th,14.0,A2B2C3_cI28_199_a_a_b:As-Sb-Th +mp-19868,ThAs,-7.149807265,-1.1133189375,0.282490005,0.0588278931,GGA,Pm-3m,AB_cP2_221_a_b:As-Th,2.0,AB_cP2_221_a_b:As-Th +mp-1753,ThAs,-7.43229727,-1.3958089425,0.0,-0.2236621119,GGA,Fm-3m,AB_cF8_225_a_b:As-Th,2.0,AB_cF8_225_a_b:As-Th +mp-382,Th3As4,-7.1793175736,-1.3395963779,0.0,-0.0925068229,GGA,I-43d,A4B3_cI28_220_c_a:As-Th,14.0,A4B3_cI28_220_c_a:As-Th +mp-1208450,Th2As3,-3.178809356,2.582204987,3.834561563,3.834561563,GGA,P4/mmm,A3B2_tP5_123_ag_g:As-Th,5.0,A3B2_tP5_123_ag_g:As-Th +mp-1078435,BaCd2Pt,-2.97009814,-0.511126195,0.0,-0.0361698092,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ba-Cd-Pt,8.0,AB2C_oC16_63_c_f_c:Ba-Cd-Pt +mp-1104609,Ba(Cd2Pt)2,-2.9930475636,-0.4569331893,0.0,-0.0681831936,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Ba-Cd-Pt,14.0,AB4C2_tP14_136_a_i_f:Ba-Cd-Pt +mp-1187379,TbSm3,-4.6725909963,0.02494013,0.02494013,0.02494013,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sm-Tb,8.0,A3B_hP8_194_h_c:Sm-Tb +mp-1187311,Tb3Sm,-4.636988895,0.0184322137,0.0184322137,0.0184322137,GGA,I4/mmm,AB3_tI8_139_a_bd:Sm-Tb,4.0,AB3_tI8_139_a_bd:Sm-Tb +mp-1187319,Tb3Sm,-4.6338248912,0.0215962175,0.0215962175,0.0215962175,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sm-Tb,8.0,AB3_hP8_194_c_h:Sm-Tb +mp-1187372,TbSm,-4.65338975,0.0230863675,0.0230863675,0.0230863675,GGA,P-6m2,AB_hP2_187_a_d:Sm-Tb,2.0,AB_hP2_187_a_d:Sm-Tb +mp-981213,TbSmIr2,-7.4800188875,-0.7225637387,0.0395004836,0.0395004836,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Sm-Tb,4.0,A2BC_cF16_225_c_a_b:Ir-Sm-Tb +mp-1096060,TaNb2Re,-6.470193195,4.6560355287,4.85181137,4.85181137,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-Ta,4.0,A2BC_oI8_71_e_a_b:Nb-Re-Ta +mp-1093627,Ta2NbRe,-6.74896115,4.8163857212,5.0611258675,5.0157788995,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Nb-Re-Ta +mp-1186767,Ta2NbRe,-11.8100870175,-0.2447401463,0.0,-0.045346968,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nb-Re-Ta,4.0,ABC2_cF16_225_a_b_c:Nb-Re-Ta +mp-1096704,TaNbRe2,-6.9504730825,4.7615611775,5.104148555,4.93154897,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Re-Ta,4.0,AB2C_oI8_71_a_e_b:Nb-Re-Ta +mp-1187242,TaNbRe2,-12.0546216375,-0.3425873775,0.0,-0.172599585,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Re-Ta,4.0,AB2C_cF16_225_a_c_b:Nb-Re-Ta +mp-983590,Be3Fe,-5.1310522125,-0.2089872612,0.0,-0.000794385,GGA,Pm-3m,A3B_cP4_221_c_a:Be-Fe,4.0,A3B_cP4_221_c_a:Be-Fe +mp-1025010,Be5Fe,-4.617923345,-0.0900757558,0.049249085,0.049249085,GGA,F-43m,A5B_cF24_216_ae_c:Be-Fe,6.0,A5B_cF24_216_ae_c:Be-Fe +mp-1096327,Be2FeRu,-3.238876725,3.066935645,3.316001305,3.316001305,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Fe-Ru,4.0,A2BC_oI8_71_e_a_b:Be-Fe-Ru +mp-1097372,BeFeRu2,-4.21897976,3.4705800288,3.5951128588,3.5951128588,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Fe-Ru,4.0,ABC2_oI8_71_a_b_e:Be-Fe-Ru +mp-2225,Be2Fe,-5.593872815,-0.2775905017,0.0,-0.0918240472,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Fe,12.0,A2B_hP12_194_ah_f:Be-Fe +mp-1227549,BeFe3,-7.3450056075,-0.0576364837,0.0464599544,0.0464599544,GGA,Cmmm,AB3_oC8_65_b_ck:Be-Fe,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Be-Fe, expected BeFe5 to be BeFe3" +mp-1104104,Be12Fe,-4.1493241615,-0.0460183469,0.0182854258,0.0182854258,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-Fe,13.0,A12B_tI26_139_fij_a:Be-Fe +mp-867141,ReOs3,-11.6169871162,-0.0853297475,0.0,-0.0424077712,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-Re,8.0,A3B_hP8_194_h_c:Os-Re +mp-867264,Re3Os,-12.1993137387,-0.0590764925,0.0,-0.0161545162,GGA,P6_3/mmc,AB3_hP8_194_c_h:Os-Re,8.0,AB3_hP8_194_c_h:Os-Re +mp-1096294,Ta2ReOs,-7.10429579,4.7425666788,5.093413675,4.9985085432,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Os-Re-Ta +mp-1187213,Ta2ReOs,-12.197709465,-0.3508469963,0.0,-0.0949051318,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Re-Ta,4.0,ABC2_cF16_225_a_b_c:Os-Re-Ta +mp-1219509,ReOs,-11.92179126,-0.0858439525,0.0,-0.0136408325,GGA,P-6m2,AB_hP2_187_a_d:Os-Re,2.0,AB_hP2_187_a_d:Os-Re +mp-1097201,CdIn2Hg,-0.7703381775,0.9121462188,0.9121462188,0.9121462188,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Hg-In,4.0,ABC2_oI8_71_a_b_e:Cd-Hg-In +mp-1097590,CdInHg2,-0.410427115,0.66005644,0.66005644,0.66005644,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Hg-In,4.0,AB2C_oI8_71_a_e_b:Cd-Hg-In +mp-19733,Ce2In,-5.0992547,-0.22663402,0.0102324733,0.0102324733,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Ce-In,6.0,A2B_hP6_194_ac_d:Ce-In +mp-20369,CeIn3,-3.950601715,-0.4035666287,0.0,-0.3185788712,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-In,4.0,AB3_cP4_221_a_c:Ce-In +mp-1227310,Ce2(InSn)3,-4.5054890575,-0.4867459244,0.0,-0.0171598925,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:Ce-In-Sn,8.0,A2B3C3_oP8_47_i_cl_def:Ce-In-Sn +mp-20984,Ce3In,-5.341264265,-0.2035264663,0.0,-0.0335509512,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-In,4.0,A3B_cP4_221_c_a:Ce-In +mp-685146,CdTe,-2.6937749725,-0.6606771458,0.0086314975,-0.6438322231,GGA,Cmc2_1,AB_oC8_36_a_a:Cd-Te,4.0,AB_oC8_36_a_a:Cd-Te +mp-1008471,CdTe,-2.5184368375,-0.4853390108,0.1839696325,-0.4684940881,GGA,Cmcm,AB_oC8_63_c_c:Cd-Te,4.0,AB_oC8_63_c_c:Cd-Te +mp-1066480,CdTe,-2.5204449,-0.4873470733,0.18196157,-0.4705021506,GGA,Cmcm,AB_oC8_63_c_c:Cd-Te,4.0,AB_oC8_63_c_c:Cd-Te +mp-1226722,CdTe,-2.338337975,-0.3052401483,0.364068495,-0.2883952256,GGA,I-4m2,AB_tI4_119_a_c:Cd-Te,2.0,AB_tI4_119_a_c:Cd-Te +mp-12581,CdTe,-2.216272,-0.1831741733,0.48613447,-0.1663292506,GGA,P4/mmm,AB_tP2_123_a_b:Cd-Te,2.0,AB_tP2_123_a_b:Cd-Te +mp-1492,CdTe,-2.589784255,-0.5566864283,0.112622215,-0.5398415056,GGA,P3_121,AB_hP6_152_a_b:Cd-Te,6.0,AB_hP6_181_c_d:Cd-Te +mp-12779,CdTe,-2.696452615,-0.6633547883,0.005953855,-0.6465098656,GGA,P6_3mc,AB_hP4_186_b_b:Cd-Te,4.0,AB_hP4_186_b_b:Cd-Te +mp-406,CdTe,-2.70240647,-0.6693086433000001,0.0,-0.6524637206,GGA,F-43m,AB_cF8_216_a_c:Cd-Te,2.0,AB_cF8_216_a_c:Cd-Te +mp-2388,CdTe,-2.52913338,-0.4960355533,0.17327309,-0.4791906306,GGA,Fm-3m,AB_cF8_225_a_b:Cd-Te,2.0,AB_cF8_225_a_b:Cd-Te +mp-1079533,CrCd3Te4,-3.4281878937,-0.3038203533,0.2951405522,0.2951405522,GGA,P-43m,A3BC4_cP8_215_c_a_e:Cd-Cr-Te,8.0,A3BC4_cP8_215_c_a_e:Cd-Cr-Te +mp-1018083,CrCdTe2,-4.560004305,-0.3443670508,0.1842461169,0.1842461169,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cd-Cr-Te,4.0,ABC2_tP4_115_a_c_g:Cd-Cr-Te +mp-1183651,Cd3Te,-1.5032611775,-0.0252673842,0.3093869375,0.3093869375,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Te,4.0,A3B_tI8_139_ad_b:Cd-Te +mp-984629,Cr3CdTe4,-5.5183001688,-0.2113932008,0.2468722291,0.2468722291,GGA,P-43m,AB3C4_cP8_215_a_c_e:Cd-Cr-Te,8.0,AB3C4_cP8_215_a_c_e:Cd-Cr-Te +mp-540755,Zr2Nb3Ge4,-7.8545129661,-0.5332432106,0.0847271138,0.0847271138,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Zr,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Zr +mp-1203073,HfCrGa2,-6.7285710731,-0.3119639369,0.0326910512,0.0326910512,GGA,Pnma,AB2C_oP48_62_ad_4cd_cd:Cr-Ga-Hf,48.0,AB2C_oP48_62_ad_4cd_cd:Cr-Ga-Hf +mp-1190672,Hf3(CrGa3)2,-6.4752212714,-0.3528359836,0.0231512761,0.0231512761,GGA,Pmmn,A2B6C3_oP22_59_c_abef_ae:Cr-Ga-Hf,22.0,A2B6C3_oP22_59_c_abef_ae:Cr-Ga-Hf +mp-973904,HfCr2,-9.8546217571,-0.1001937671,0.0035296479,-0.1001937671,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Cr-Hf,24.0,A2B_hP24_194_fgh_ef:Cr-Hf +mp-569624,HfCr2,-9.8381872308,-0.0837592408,0.0199641742,-0.0837592408,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Cr-Hf,12.0,A2B_hP12_194_ah_f:Cr-Hf +mp-819,HfCr2,-9.858151405,-0.103723415,0.0,-0.103723415,GGA,Fd-3m,A2B_cF24_227_c_b:Cr-Hf,6.0,A2B_cF24_227_c_b:Cr-Hf +mp-1204826,Hf3(CrGa2)2,-7.1611672892,-0.3511621647,0.0366040532,0.0366040532,GGA,Pnma,A2B4C3_oP72_62_2d_6cd_6c:Cr-Ga-Hf,72.0,A2B4C3_oP72_62_2d_6cd_6c:Cr-Ga-Hf +mp-1212226,Hf4Cr,-8.989043509,0.907317209,0.9384342335,0.9384342335,GGA,Fd-3m,AB4_cF40_227_a_e:Cr-Hf,10.0,AB4_cF40_227_a_e:Cr-Hf +mp-16230,Tb5Sb3,-5.4534243425,-1.008570065,0.0,-0.0537496206,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Tb,16.0,A3B5_hP16_193_g_dg:Sb-Tb +mp-2045,Tb4Sb3,-5.509004525,-1.091223365,0.0151227493,0.0151227493,GGA,I-43d,A3B4_cI28_220_a_c:Sb-Tb,14.0,A3B4_cI28_220_a_c:Sb-Tb +mp-2724,TbSb,-5.61839785,-1.23671418,0.0,-0.212298305,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Tb,2.0,AB_cF8_225_a_b:Sb-Tb +mp-1208309,TbSb3,-3.540753585,0.71458887,1.4040847869,1.4040847869,GGA,Cmmm,A3B_oC8_65_ce_b:Sb-Tb,4.0,A3B_oC8_65_ce_b:Sb-Tb +mp-4075,TbZrSb,-6.6388248533,-0.8684688633000001,0.0,-0.0403184647,GGA,I4/mmm,ABC_tI12_139_e_e_c:Sb-Tb-Zr,6.0,ABC_tI12_139_e_e_c:Sb-Tb-Zr +mp-1018127,TbSb2,-4.6304960833,-0.33303989,0.5546707428000001,0.5546707428000001,GGA,C222,A2B_oC6_21_k_a:Sb-Tb,3.0,A2B_oC6_21_k_a:Sb-Tb +mp-1095657,TbSb2,-5.165987925,-0.8685317317000001,0.0191789011,0.0191789011,GGA,Cmce,A2B_oC24_64_ef_f:Sb-Tb,12.0,A2B_oC24_64_ef_f:Sb-Tb +mp-641945,Tb2Sb5,-5.0613865336,-0.7879953336000001,0.0,-0.0435395636,GGA,P2_1/m,A5B2_mP28_11_10e_4e:Sb-Tb,28.0,"Invalid WP multiplicities - A5B2_mP28_11_18e_7e:Sb-Tb, expected Tb7Sb18 to be Tb2Sb5" +mp-1186506,Pm2ZnIn,-3.77431584,-0.3961878437,0.0,-0.1359114858,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:In-Pm-Zn +mp-1096690,LiCa2Pt,-2.0436089375,0.9542050492,1.5300024147,1.5300024147,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Li-Pt,4.0,A2BC_oI8_71_e_a_b:Ca-Li-Pt +mp-1008924,DySb,-5.246356315,-0.8784622750000001,0.341894535,0.1192006632,GGA,Pm-3m,AB_cP2_221_a_b:Dy-Sb,2.0,AB_cP2_221_a_b:Dy-Sb +mp-1007,DySb,-5.58825085,-1.22035681,0.0,-0.2226938718,GGA,Fm-3m,AB_cF8_225_a_b:Dy-Sb,2.0,AB_cF8_225_a_b:Dy-Sb +mp-1225550,DySbTe3,-4.626130252,-0.9929891,0.029413949,0.029413949,GGA,R3m,ABC3_hR15_160_a_a_3a:Dy-Sb-Te,5.0,ABC3_hR15_160_a_a_3a:Dy-Sb-Te +mp-1189399,Dy5Sb3,-5.4180518256,-0.9904345856,0.0,-0.0524024031,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Dy-Sb,16.0,A5B3_hP16_193_dg_g:Dy-Sb +mp-1927,Dy4Sb3,-5.4740583629,-1.07203678,0.0169359018,0.0169359018,GGA,I-43d,A4B3_cI28_220_c_a:Dy-Sb,14.0,A4B3_cI28_220_c_a:Dy-Sb +mp-1018158,DySb2,-4.6177005367,-0.32943743,0.5441740711,0.5441740711,GGA,C222,AB2_oC6_21_a_k:Dy-Sb,3.0,AB2_oC6_21_a_k:Dy-Sb +mp-13451,Dy2Sb5,-5.0400528243,-0.7745414129,0.0,-0.0771946643,GGA,P2_1/m,A2B5_mP28_11_4e_10e:Dy-Sb,28.0,A2B5_mP28_11_4e_10e:Dy-Sb +mp-1183836,DySb3,-4.7905231950000005,-0.542075555,0.1356481812,0.1356481812,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Sb,8.0,AB3_hP8_194_c_h:Dy-Sb +mp-1225505,Er2InAg,-4.0662721425,-0.3863528042,0.01191271,-0.0023697775,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Er-In,4.0,AB2C_tP4_123_a_h_b:Ag-Er-In +mp-866004,Er2InAg,-4.0781848525,-0.3982655142,0.0,-0.0142824875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-In,4.0,AB2C_cF16_225_a_c_b:Ag-Er-In +mp-30340,ErInAg2,-3.6048493775,-0.3587207408,0.0,-0.0572399868,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Er-In,4.0,A2BC_cF16_225_c_a_b:Ag-Er-In +mp-983604,Er3As,-4.9751545175,-0.3845858087,0.371840985,0.371840985,GGA,Pm-3m,AB3_cP4_221_a_c:As-Er,4.0,AB3_cP4_221_a_c:As-Er +mp-1002226,ErAs,-5.63590255,-1.0224839425,0.490369645,-0.5964472488,GGA,Pm-3m,AB_cP2_221_a_b:As-Er,2.0,AB_cP2_221_a_b:As-Er +mp-1688,ErAs,-6.126272195,-1.5128535875,0.0,-1.0868168938,GGA,Fm-3m,AB_cF8_225_a_b:As-Er,2.0,AB_cF8_225_a_b:As-Er +mp-1184175,ErAs3,-5.103756085,-0.4674875788,0.288939215,0.288939215,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Er,8.0,A3B_hP8_194_h_c:As-Er +mp-1102033,ErAsSe,-5.8063861775,-1.5654699466,0.00166824,-0.0305059528,GGA,Pnma,ABC_oP12_62_c_c_c:As-Er-Se,12.0,ABC_oP12_62_c_c_c:As-Er-Se +mp-1213048,ErAsSe,-5.8080544175,-1.5671381866,0.0,-0.0321741928,GGA,Pnma,ABC_oP12_62_c_c_c:As-Er-Se,12.0,ABC_oP12_62_c_c_c:As-Er-Se +mp-2275508,ErAsSe,-5.793773985,-1.5528577541000002,0.0142804325,-0.0178937603,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Er-Se,6.0,ABC_tP6_129_a_c_c:As-Er-Se +mp-570899,YbNi2Sn,-4.6852867525,-0.4079233787,0.0625690325,0.0625690325,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-Yb,,A2BC_cF16_225_c_a_b:Ni-Sn-Yb +mp-1191537,Yb7Ni4Sn13,-4.1133088521,-0.5290489023,0.0009478296,0.0009478296,GGA,P4/m,A4B13C7_tP24_83_j_a2jk_cfk:Ni-Sn-Yb,,A4B13C7_tP24_83_j_a2jk_cfk:Ni-Sn-Yb +mp-1198689,Yb5(Ni2Sn5)2,-4.2494329124,-0.5171009824,0.0,-0.0141829172,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Ni-Sn-Yb,,A4B10C5_tP38_127_i_gij_a2h:Ni-Sn-Yb +mp-22162,YbNiSn,-4.3570460467,-0.5806071083000001,0.0,-0.0621672042,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sn-Yb,,ABC_oP12_62_c_c_c:Ni-Sn-Yb +mp-1207519,YbNi4Sn,-5.1386655233,-0.3603777142,0.0,-0.0190908292,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Sn-Yb,,A4BC_cF24_216_e_a_c:Ni-Sn-Yb +mp-865115,NaNdHg2,-2.049033105,-0.374524741,0.0,-0.0131995581,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Nd,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Nd +mp-976903,NaNd3,-3.6593994375,0.2473424602,0.2473424602,0.2473424602,GGA,Pm-3m,AB3_cP4_221_a_c:Na-Nd,4.0,AB3_cP4_221_a_c:Na-Nd +mp-983562,Na3Nd,-1.8669871088,0.3169437195,0.3169437195,0.3169437195,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Nd,8.0,A3B_hP8_194_h_c:Na-Nd +mp-1025496,LiNbSe2,-6.0604482125,-1.309935497,0.0,-0.0653310645,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Li-Nb-Se,8.0,ABC2_hP8_194_a_b_f:Li-Nb-Se +mp-4586,LiAlTe2,-3.9104522675,-0.9251746467,0.0,-0.0430809355,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Li-Te,8.0,ABC2_tI16_122_a_b_d:Al-Li-Te +mp-973181,Mn3Zn,-6.980964135,0.2054832366,0.2158368647,0.2158368647,GGA,I4/mmm,A3B_tI8_139_ad_b:Mn-Zn,4.0,A3B_tI8_139_ad_b:Mn-Zn +mp-1185979,Mn3Zn,-6.9931978125,0.1932495591,0.2036031872,0.2036031872,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Zn,4.0,A3B_cF16_225_ac_b:Mn-Zn +mp-1210567,MnZn13,-1.8457266207,-0.0215350334,0.0,-0.012660495,GGA,C2/m,AB13_mC28_12_a_c2i2j:Mn-Zn,14.0,AB13_mC28_12_a_c2i2j:Mn-Zn +mp-1210582,MnZn13,-1.7604566821,0.0637349051,0.0852699386,0.0726094436,GGA,C2/m,AB13_mC28_12_a_c2i2j:Mn-Zn,14.0,AB13_mC28_12_a_c2i2j:Mn-Zn +mp-1096621,MnZnPd2,-3.5629111025,1.632469528,2.030475925,2.0215822442,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Pd-Zn,4.0,AB2C_oI8_71_a_e_b:Mn-Pd-Zn +mp-1186001,MnZnPd2,-5.5933870275,-0.398006397,0.0,-0.0088936808,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Pd-Zn,4.0,AB2C_cF16_225_a_c_b:Mn-Pd-Zn +mp-1221543,MnZn,-5.043402305,0.167477146,0.1881844024,0.1881844024,GGA,P-6m2,AB_hP2_187_a_d:Mn-Zn,2.0,AB_hP2_187_a_d:Mn-Zn +mp-11503,MnZn,-5.148385765,0.062493686,0.0832009424,0.0832009424,GGA,Pm-3m,AB_cP2_221_a_b:Mn-Zn,2.0,AB_cP2_221_a_b:Mn-Zn +mp-1221570,MnZn3,-3.1575310925,0.077780438,0.1088413225,0.0951741189,GGA,R-3m,AB3_hR12_166_a_bc:Mn-Zn,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Mn-Zn, expected MnZn5 to be MnZn3" +mp-1221532,MnZn3,-3.1795503175,0.055761213,0.0868220975,0.0731548939,GGA,P-6m2,AB3_hP4_187_a_bh:Mn-Zn,4.0,AB3_hP4_187_a_bh:Mn-Zn +mp-975079,MnZn3,-3.2529113562,-0.0175998257,0.0134610588,-0.0002061449,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mn-Zn,8.0,AB3_hP8_194_c_h:Mn-Zn +mp-11504,MnZn3,-3.266372415,-0.0310608845,0.0,-0.0136672036,GGA,Pm-3m,AB3_cP4_221_a_c:Mn-Zn,4.0,AB3_cP4_221_a_c:Mn-Zn +mp-865437,Lu2ZnRu,-5.3351747225,-0.441162925,0.0,-0.0160160144,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Lu-Ru-Zn +mp-978549,SmLuZn2,-3.2748942175,-0.3351382487,0.010332195,0.010332195,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Sm-Zn +mp-1195553,Zr(Zn10Fe)2,-2.3368629943,-0.133271027,0.0,-0.0445716417,GGA,Fd-3m,A2B20C_cF184_227_d_cfg_a:Fe-Zn-Zr,46.0,A2B20C_cF184_227_d_cfg_a:Fe-Zn-Zr +mp-570276,ZrZn,-5.190912365,-0.287190245,0.0,-0.0471186458,GGA,Pm-3m,AB_cP2_221_a_b:Zn-Zr,2.0,AB_cP2_221_a_b:Zn-Zr +mp-614444,ZrZn,-4.76056447,0.14315765,0.430347895,0.3832292492,GGA,Fm-3m,AB_cF8_225_a_b:Zn-Zr,2.0,AB_cF8_225_a_b:Zn-Zr +mp-1207439,Zr5Zn39,-2.264104292,-0.176183748,0.0,-0.0266061406,GGA,C2/m,A39B5_mC88_12_aef5i6j_c2i:Zn-Zr,44.0,A39B5_mC88_12_aef5i6j_d2i:Zn-Zr +mp-1207459,Zr4Zn,-6.476340125,0.613769101,0.728645199,0.728645199,GGA,Fd-3m,AB4_cF40_227_a_e:Zn-Zr,10.0,AB4_cF40_227_a_e:Zn-Zr +mp-1401,ZrZn2,-3.991615185,-0.3025525683,0.0,-0.0136486958,GGA,Fd-3m,A2B_cF24_227_c_b:Zn-Zr,6.0,A2B_cF24_227_c_b:Zn-Zr +mp-30888,ZrZn22,-1.6466260441,-0.0700147376,0.0,-0.0011059715,GGA,Fd-3m,A22B_cF184_227_cdfg_a:Zn-Zr,46.0,A22B_cF184_227_cdfg_a:Zn-Zr +mp-1016109,ZrZn16,-1.7816764712,-0.0932295071,6.952800000000001e-06,6.952800000000001e-06,GGA,Cmcm,A16B_oC68_63_ac2fg2h_c:Zn-Zr,34.0,A16B_oC68_63_ac2fg2h_c:Zn-Zr +mp-864889,ZrZn3,-3.3714935512,-0.2897606863,0.0,-0.0351411188,GGA,P6_3/mmc,A3B_hP8_194_h_c:Zn-Zr,8.0,A3B_hP8_194_h_c:Zn-Zr +mp-1018105,Zr2Zn,-6.2959722533,-0.17759063,0.0138695333,0.0138695333,GGA,I4/mmm,AB2_tI6_139_a_e:Zn-Zr,3.0,AB2_tI6_139_a_e:Zn-Zr +mp-972088,Zr3Zn,-6.8508531225,-0.1251417475,0.018453375,0.018453375,GGA,I4/mmm,AB3_tI8_139_a_bd:Zn-Zr,4.0,AB3_tI8_139_a_bd:Zn-Zr +mp-1207421,Zr3Zn2,-5.8223913995,-0.1898735775,0.0398786185,0.0398786185,GGA,P4_2/mnm,A2B3_tP20_136_j_dfg:Zn-Zr,20.0,A2B3_tP20_136_j_dfg:Zn-Zr +mp-1225461,ErMnAl,-6.0786515117,-0.253548201,0.0211363785,0.0211363785,GGA,Imma,ABC_oI12_74_a_e_c:Al-Er-Mn,6.0,ABC_oI12_74_a_e_c:Al-Er-Mn +mp-1104101,Er(MnAl2)4,-5.8175733723,-0.3421590171,0.0,-0.0141738108,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Er-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-Er-Mn +mp-1225086,Er(MnAl)6,-6.5576089223,-0.2488961883,0.0356477642,0.0356477642,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Er-Mn,13.0,A6BC6_oI26_71_efg_a_hk:Al-Er-Mn +mp-1213481,Er6Mn4Al43,-4.5145725611,-0.267136057,0.0146808415,0.0146808415,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Mn,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-Mn +mp-8677,ZrTiTe4,-5.8944923567,-1.0584229867,0.0116873217,0.0116873217,GGA,P2/m,A4BC_mP6_10_mn_a_e:Te-Ti-Zr,6.0,A4BC_mP6_10_mn_c_e:Te-Ti-Zr +mp-30047,Sn2Mo,-6.2745282911,0.0137363156,0.0137363156,0.0137363156,GGA,P6_222,AB2_hP18_180_ac_fj:Mo-Sn,18.0,AB2_hP18_180_ac_fj:Mo-Sn +mp-1093731,Ti2SnMo,-4.556366785,3.1051847146,3.3863318563,3.3863318563,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Sn-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Sn-Ti +mp-1187045,Sn3Mo,-5.1786711625,0.5399202563000001,0.5399202563000001,0.5399202563000001,GGA,I4/mmm,AB3_tI8_139_a_bd:Mo-Sn,4.0,AB3_tI8_139_a_bd:Mo-Sn +mp-1218950,SnMo3,-8.8461252125,0.2905053337,0.2905053337,0.2905053337,GGA,Cmmm,A3B_oC8_65_bk_c:Mo-Sn,4.0,"Invalid WP multiplicities - A3B_oC8_65_b2k_c:Mo-Sn, expected SnMo5 to be SnMo3" +mp-30788,SnMo3,-9.08470854,0.0519220062,0.0519220062,0.0519220062,GGA,Pm-3n,A3B_cP8_223_c_a:Mo-Sn,8.0,A3B_cP8_223_c_a:Mo-Sn +mp-1210529,Na3ErBr6,-3.8490997445,-2.0637532775,0.0,-0.9317759505,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Br-Er-Na,20.0,A6BC3_mP20_14_3e_a_be:Br-Er-Na +mp-976405,NaEr3,-3.43603882,0.3203816109,0.3203816109,0.3203816109,GGA,Fm-3m,A3B_cF16_225_ac_b:Er-Na,4.0,A3B_cF16_225_ac_b:Er-Na +mp-22916,NaBr,-3.32440569,-1.8866288783,0.0,-1.8866288783,GGA,Fm-3m,AB_cF8_225_a_b:Br-Na,2.0,AB_cF8_225_a_b:Br-Na +mp-1187368,TbMn3,-7.7337312225,0.2963717716,0.2963717716,0.2963717716,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mn-Tb,8.0,A3B_hP8_194_h_c:Mn-Tb +mp-972084,TbMn12,-8.8093450262,0.0043895588,0.0043895588,0.0043895588,GGA,I4/mmm,A12B_tI26_139_fij_a:Mn-Tb,13.0,A12B_tI26_139_fij_a:Mn-Tb +mp-1208526,Tb4Mn,-4.994881003,0.5450149354,0.5450149354,0.5450149354,GGA,Fd-3m,AB4_cF40_227_a_e:Mn-Tb,10.0,AB4_cF40_227_a_e:Mn-Tb +mp-1192517,Tb6Mn23,-8.1885647362,0.0366955506,0.0366955506,0.0366955506,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Mn-Tb,29.0,A23B6_cF116_225_ad2f_e:Mn-Tb +mp-1185951,Mn3Br,-6.7309360075,0.5288325441,0.98819949,0.98819949,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Mn,4.0,AB3_tI8_139_a_bd:Br-Mn +mp-28306,MnBr2,-5.31433584,-1.2249785226,0.0,-1.2249785226,GGA,P-3m1,A2B_hP3_164_d_a:Br-Mn,3.0,A2B_hP3_164_d_a:Br-Mn +mp-569843,MnBr2,-5.3122339767,-1.2228766593,0.0021018633,-1.2228766593,GGA,R-3m,A2B_hR9_166_c_a:Br-Mn,3.0,A2B_hR9_166_c_a:Br-Mn +mp-571084,MnBr2,-5.3071028608,-1.2177455435,0.0072329792,-1.2177455435,GGA,Fd-3m,A2B_cF48_227_e_c:Br-Mn,12.0,A2B_cF48_227_e_c:Br-Mn +mp-1102649,TbMn2,-7.56957865,0.0832202447,0.0832202447,0.0832202447,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Tb,12.0,A2B_hP12_194_ah_f:Mn-Tb +mp-20075,TbMn2,-7.4916724,0.1611264947,0.1611264947,0.1611264947,GGA,Fd-3m,A2B_cF24_227_c_b:Mn-Tb,6.0,A2B_cF24_227_c_b:Mn-Tb +mp-1189771,Tb7MnBr12,-4.907526376,-1.8955804784,0.0,-0.0419934374,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Br-Mn-Tb,20.0,A12BC7_hR60_148_2f_a_bf:Br-Mn-Tb +mp-1186452,Pm2CuAu,-4.684321625,-0.4657782962,0.0,-0.1980335071,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Pm,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Pm +mp-865957,AcSnAu2,-4.35431828,-0.6846905644,0.0,-0.1908404536,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Au-Sn,4.0,AB2C_cF16_225_a_c_b:Ac-Au-Sn +mp-20522,TmAgPb,-4.0076850511,-0.3340055522,0.0,-0.0221320043,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Pb-Tm,9.0,ABC_hP9_189_f_bc_g:Ag-Pb-Tm +mp-1217505,Tm3(AgPb2)2,-3.8962006689,-0.1247332737,0.1933315598,0.1933315598,GGA,P3m1,A2B4C3_hP18_156_3ab_3a5b_6c:Ag-Pb-Tm,18.0,A2B4C3_hP18_156_3ab_3a5b_6c:Ag-Pb-Tm +mp-19820,TmPb3,-4.119336065,-0.2158919067,0.0,-0.0027595914,GGA,Pm-3m,A3B_cP4_221_c_a:Pb-Tm,4.0,A3B_cP4_221_c_a:Pb-Tm +mp-1189518,Tm5Pb3,-4.68595531,-0.4963155192,0.0,-0.096692428,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pb-Tm,16.0,A3B5_hP16_193_g_dg:Pb-Tm +mp-971957,Tm3Pb,-4.523694735,-0.2386564,0.0922206128,0.0922206128,GGA,Pm-3m,AB3_cP4_221_a_c:Pb-Tm,4.0,AB3_cP4_221_a_c:Pb-Tm +mp-1204885,Tm5Pb4,-4.6102679669,-0.4736273673,0.0,-0.0292421468,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pb-Tm,36.0,A4B5_oP36_62_2cd_c2d:Pb-Tm +mp-4404,Sr(AsRu)2,-6.589305062,-0.6779979933,0.0,-0.1285809575,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ru-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Ru-Sr +mp-30953,GaBr3,-3.2222746125,-1.3004793594,0.0,-0.4081890247,GGA,P2_1/c,A3B_mP16_14_3e_e:Br-Ga,16.0,A3B_mP16_14_3e_e:Br-Ga +mp-571502,Ga(BiBr)4,-3.51415998,-0.7805859953000001,0.0,-0.0143835473,GGA,Pna2_1,A4B4C_oP72_33_8a_8a_2a:Bi-Br-Ga,72.0,"Invalid WP multiplicities - A4B4C_oP72_33_26a_30a_6a:Bi-Br-Ga, expected Ga3Bi13Br15 to be Ga(BiBr)4" +mp-1183974,GaBi3,-3.55386025,0.0835306031,0.0835306031,0.0835306031,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Ga,4.0,A3B_cP4_221_c_a:Bi-Ga +mp-1018126,GaBi,-3.43194813,0.0023444462,0.0023444462,0.0023444462,GGA,F-43m,AB_cF8_216_a_c:Bi-Ga,2.0,AB_cF8_216_a_c:Bi-Ga +mp-28384,GaBr2,-3.2344380071,-1.1897204462,0.0,-0.0337387935,GGA,Pnna,A2B_oP24_52_2e_cd:Br-Ga,24.0,A2B_oP24_52_2e_cd:Br-Ga +mp-650841,GaBr2,-3.2236779428,-1.1789603819,0.0107600643,-0.0229787292,GGA,R3c,A2B_hR108_161_4b_2b:Br-Ga,36.0,"Invalid WP multiplicities - A2B_hR108_161_19b_6b:Br-Ga, expected Ga6Br19 to be GaBr2" +mp-983237,Ga3Bi,-3.1710675275,0.0601267719,0.0601267719,0.0601267719,GGA,Pm-3m,AB3_cP4_221_a_c:Bi-Ga,4.0,AB3_cP4_221_a_c:Bi-Ga +mp-12678,TaMn2,-10.2841746225,-0.2235718845,0.0,-0.2235718845,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Mn-Ta,12.0,A2B_hP12_194_ah_f:Mn-Ta +mp-1188053,Zr3Ta,-9.2219587262,0.1532611537,0.1532611537,0.1532611537,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ta-Zr,8.0,AB3_hP8_194_c_h:Ta-Zr +mp-1188024,Zr3Ta,-9.2108480675,0.1643718125,0.1643718125,0.1643718125,GGA,Pm-3m,AB3_cP4_221_a_c:Ta-Zr,4.0,AB3_cP4_221_a_c:Ta-Zr +mp-1096144,ZrTaMn2,-5.9850437450000005,3.697333466,3.8650123794,3.8650123794,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Ta-Zr,4.0,A2BC_oI8_71_e_a_b:Mn-Ta-Zr +mp-569197,GdNiSb,-8.9471331633,-0.9520464433,0.0,-0.1070949451,GGA,F-43m,ABC_cF12_216_a_c_b:Gd-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Gd-Ni-Sb +mp-569296,Gd(NiSb)2,-7.399839028,-0.620959412,0.096947328,0.096947328,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Ni-Sb,5.0,AB2C2_tI10_139_a_d_e:Gd-Ni-Sb +mp-1183880,Eu2AsAu,-8.1245457475,-1.0127947462,0.0418795858,0.0418795858,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Au-Eu,4.0,ABC2_cF16_225_a_b_c:As-Au-Eu +mp-19729,EuAsAu,-6.9896849383,-0.92635087,0.0,-0.1195239371,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Au-Eu,6.0,ABC_hP6_194_c_d_a:As-Au-Eu +mp-862882,CaPmAu2,-4.140321355,-0.8143448044,0.0,-0.18616658,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Ca-Pm +mp-1217680,Tb2AgPd,-4.9072585325,-0.5869660292000001,0.0265178725,0.0265178725,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Pd-Tb,4.0,ABC2_tP4_123_a_b_h:Ag-Pd-Tb +mp-1097300,CrGaIr2,-4.78437407,2.8051288931,3.1104025482,3.1104025482,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ga-Ir,4.0,ABC2_oI8_71_a_b_e:Cr-Ga-Ir +mp-1097476,ZrScCo2,-4.53530463,2.7388967012,3.0971991025,3.070054925,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Sc-Zr,4.0,A2BC_oI8_71_e_a_b:Co-Sc-Zr +mp-1188031,ZrScCo2,-7.6325037325,-0.3583024013,0.0,-0.0271441775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sc-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Sc-Zr +mp-1078315,PrBi2Au,-4.5422270275,-0.6082855238,0.0248936521,0.0248936521,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Bi-Pr,8.0,AB2C_tP8_129_a_bc_c:Au-Bi-Pr +mp-1105548,Pr5Bi3,-5.2248979581,-0.7966484375,0.0,-0.0278113022,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Pr,16.0,A3B5_hP16_193_g_dg:Bi-Pr +mp-862761,PrBiAu2,-4.417952505,-0.6256627837000001,0.0451643651,0.0451643651,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Bi-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Bi-Pr +mp-23314,Pr4Bi3,-5.2409828543,-0.8631127957,0.0107474775,0.0107474775,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Pr,14.0,A3B4_cI28_220_a_c:Bi-Pr +mp-1001605,PrBi,-5.113320585,-0.8026231425,0.174186245,-0.0230340767,GGA,P4/mmm,AB_tP2_123_a_d:Bi-Pr,2.0,AB_tP2_123_a_d:Bi-Pr +mp-1011031,PrBi,-5.04210219,-0.7314047475000001,0.24540464,0.0481843183,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Pr,2.0,AB_cP2_221_a_b:Bi-Pr +mp-23171,PrBi,-5.28750683,-0.9768093875,0.0,-0.1972203217,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Pr,2.0,AB_cF8_225_a_b:Bi-Pr +mp-1105252,Pr3Bi4Au3,-4.7124469895,-0.759815011,0.0,-0.0630305927,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Bi-Pr,20.0,A3B4C3_cI40_220_a_c_b:Au-Bi-Pr +mp-1186746,PrBi3,-4.5628492975,-0.4872560112,0.0011486825,0.0011486825,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Pr,4.0,A3B_tI8_139_ad_b:Bi-Pr +mp-1077777,Pr2Bi,-5.1629451683,-0.6955116217,0.0126203228,0.0126203228,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Pr,6.0,AB2_tI12_139_e_ce:Bi-Pr +mp-982615,Pm2InAg,-4.1461208075,-0.3747897129,0.0,-0.112018315,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-In-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-In-Pm +mp-862923,PmInAg2,-3.664166165,-0.3723316502,0.0,-0.0835900067,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-In-Pm +mp-569701,ErTe3,-4.3537756688,-0.8543665462000001,0.3522039038,0.1802609533,GGA,Cmcm,AB3_oC16_63_c_3c:Er-Te,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_6c:Er-Te, expected ErTe6 to be ErTe3" +mp-1078991,ErTe3,-4.7059795725,-1.20657045,0.0,-0.1719429504,GGA,Cmcm,AB3_oC16_63_c_3c:Er-Te,8.0,AB3_oC16_63_c_3c:Er-Te +mp-1225436,ErTe,-4.108520945,-0.2530085933,1.163855735,1.1138316317,GGA,P4/mmm,AB_tP2_123_a_b:Er-Te,2.0,AB_tP2_123_a_b:Er-Te +mp-1280,ErTe,-5.27237668,-1.4168643283,0.0,-0.0500241033,GGA,Fm-3m,AB_cF8_225_a_b:Er-Te,2.0,AB_cF8_225_a_b:Er-Te +mp-567994,Er5(NiTe)2,-5.4264649339,-0.9058561343,0.0,-0.039633275,GGA,Cmcm,A5B2C2_oC36_63_c2f_2c_f:Er-Ni-Te,18.0,"Invalid WP multiplicities - A5B2C2_oC36_63_2c5f_4c_f:Er-Ni-Te, expected Er6Ni2Te to be Er5(NiTe)2" +mp-29914,Er7(NiTe)2,-5.2741419127,-0.7449676567,0.0,-0.0038126377,GGA,Imm2,A7B2C2_oI22_44_a3c_c_ab:Er-Ni-Te,11.0,A7B2C2_oI22_44_a3c_c_ab:Er-Ni-Te +mp-14643,Er2Te3,-5.35327933,-1.64020827,0.0,-0.245760539,GGA,Fddd,A2B3_oF80_70_2e_fh:Er-Te,20.0,A2B3_oF80_70_2e_fh:Er-Te +mp-1018692,ErTe2,-4.9976135317,-1.3795033328,0.0679770172,0.0679770172,GGA,P4/nmm,AB2_tP6_129_c_ac:Er-Te,6.0,AB2_tP6_129_c_ac:Er-Te +mp-1226016,Co4Os,-7.785570704,0.146557018,0.146557018,0.146557018,GGA,R-3m,A4B_hR15_166_2c_a:Co-Os,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-Os, expected Co6Os to be Co4Os" +mp-1183718,Co3Os,-8.015150595,0.1229296088,0.1229296088,0.1229296088,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-Os,4.0,A3B_tI8_139_ad_b:Co-Os +mp-1097643,Hf2CoOs,-6.07809905,3.4844167713,4.0551023925,4.0393886812,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Hf-Os,4.0,AB2C_oI8_71_a_e_b:Co-Hf-Os +mp-1184586,Hf2CoOs,-10.1332014425,-0.5706856212,0.0,-0.0157137113,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Hf-Os,4.0,AB2C_cF16_225_a_c_b:Co-Hf-Os +mp-1226000,CoOs,-9.029450305,0.1383923075,0.1383923075,0.1383923075,GGA,P-6m2,AB_hP2_187_a_d:Co-Os,2.0,AB_hP2_187_a_d:Co-Os +mp-861624,LiLaHg2,-2.33099606,-0.4679233846,0.0,-0.031142395,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Li,4.0,A2BC_cF16_225_c_a_b:Hg-La-Li +mp-1185192,Li3La,-2.4644311475,0.2012627787,0.2012627787,0.2012627787,GGA,Fm-3m,AB3_cF16_225_a_bc:La-Li,4.0,AB3_cF16_225_a_bc:La-Li +mp-973415,LiLa3,-4.034293815,0.1449422304,0.1449422304,0.1449422304,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Li,8.0,A3B_hP8_194_h_c:La-Li +mp-976424,LiLa3,-4.03150822,0.1477278254,0.1477278254,0.1477278254,GGA,Pm-3m,A3B_cP4_221_c_a:La-Li,4.0,A3B_cP4_221_c_a:La-Li +mp-1096038,LiLa2Hg,-1.063295775,1.9578585854,2.217758245,2.217758245,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Li,4.0,AB2C_oI8_71_a_e_b:Hg-La-Li +mp-1003,TbGe2,-5.1549456275,-0.5281383575,0.1153114342,0.1153114342,GGA,Cmmm,A2B_oC24_65_ac2gh_gh:Ge-Tb,12.0,A2B_oC24_65_ac2gh_gh:Ge-Tb +mp-1071768,TbGe2,-5.1654262867,-0.5386190167,0.104830775,0.104830775,GGA,I4_1/amd,A2B_tI12_141_e_a:Ge-Tb,6.0,A2B_tI12_141_e_a:Ge-Tb +mp-1071473,TbGe5,-4.84886816,-0.2239505975,0.0977742983,0.0977742983,GGA,Immm,A5B_oI12_71_al_c:Ge-Tb,6.0,A5B_oI12_71_al_c:Ge-Tb +mp-1196953,Tb11Ge10,-5.4764551905,-0.8474882548,0.016662617,0.016662617,GGA,I4/mmm,A10B11_tI84_139_dehim_eh2n:Ge-Tb,42.0,A10B11_tI84_139_dehim_eh2n:Ge-Tb +mp-1188834,Tb4Ge6Ir7,-7.2278998106,-0.8664485876,0.0,-0.0640418813,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Tb,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Tb +mp-22755,TbGeIr,-6.9583210300000005,-0.9263783183,0.0,-0.0315901687,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Tb +mp-1673,Tb5Ge4,-5.4788794608,-0.8495525808000001,0.0,-0.0135087256,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Ge-Tb,36.0,A4B5_oP36_62_2cd_c2d:Ge-Tb +mp-1405,TbGe,-5.5037965675,-0.87509959,0.0,-0.040979442,GGA,Cmcm,AB_oC8_63_c_c:Ge-Tb,4.0,AB_oC8_63_c_c:Ge-Tb +mp-2610,Tb5Ge3,-5.417338445,-0.7872241869000001,0.0,-0.0704141968,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ge-Tb,16.0,A3B5_hP16_193_g_dg:Ge-Tb +mp-1025491,TbGe3,-5.087576355,-0.4617139388,0.020873405,0.020873405,GGA,Cmcm,A3B_oC16_63_3c_c:Ge-Tb,8.0,A3B_oC16_63_3c_c:Ge-Tb +mp-1206958,Tb2(GeIr)3,-5.5293544087,0.6772853794,1.5412614826,1.5412614826,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Tb,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-Tb +mp-1188472,Tb3Ge3Ir2,-6.5993728062,-0.9182415281,0.0,-0.0046828919,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Ge-Ir-Tb,16.0,A3B2C3_oC32_63_cf_f_cf:Ge-Ir-Tb +mp-1217705,Tb2Ge3,-5.12491998,-0.497356827,0.2592537677,0.2592537677,GGA,P-6m2,A3B2_hP5_187_abc_i:Ge-Tb,5.0,A3B2_hP5_187_abc_i:Ge-Tb +mp-1080531,Tb(GeIr)2,-7.082153032,-0.7706949980000001,0.0096691433,0.0096691433,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Tb,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-Tb +mp-18667,TbGe2Ir,-6.4863803806,-0.8066663831,0.0,-0.0218989691,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-Tb,16.0,"Invalid WP multiplicities - A2BC_oI32_71_e2fm_m_2e2i:Ge-Ir-Tb, expected Tb4Ge5Ir2 to be TbGe2Ir" +mp-1208462,Tb3Ge4,-5.4219029307,-0.7940158279,0.0,-0.0053268518,GGA,Cmcm,A4B3_oC28_63_acf_cf:Ge-Tb,14.0,A4B3_oC28_63_acf_cf:Ge-Tb +mp-2321,Tb3Ge5,-5.3498668812,-0.7225871844,0.0012938312,-0.027823335,GGA,Fdd2,A5B3_oF64_43_a2b_ab:Ge-Tb,16.0,"Invalid WP multiplicities - A5B3_oF64_43_a3b_ab:Ge-Tb, expected Tb3Ge7 to be Tb3Ge5" +mp-1187292,Tb3Ge5,-5.3511607125000005,-0.7238810156000001,0.0,-0.0291171662,GGA,P-62c,A5B3_hP16_190_bch_g:Ge-Tb,16.0,"Invalid WP multiplicities - A5B3_hP16_190_2b2c2h_g:Ge-Tb, expected Tb3Ge10 to be Tb3Ge5" +mp-1200835,Tb5(Ge5Ir2)2,-6.2956436839,-0.7821781171000001,0.0,-0.0012827747,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Tb,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Tb +mp-1202538,Tb3Ge13Ir4,-5.9883511542,-0.5205412975,0.008675688,0.008675688,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Tb,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Tb +mp-1188238,Tb2Ge5Ir3,-6.617554978,-0.7276375765,0.0,-0.005056314,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Tb,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Tb +mp-867353,ThCdAu2,-4.31894745,-0.5978194475,0.0,-0.05841014,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Th,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Th +mp-1097109,HfMnCo2,-5.419264495,2.914695483,3.1915935468,3.1915935468,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Hf-Mn,4.0,A2BC_oI8_71_e_a_b:Co-Hf-Mn +mp-1093607,Hf2MnCo,-5.7036271,3.3425506868,3.6510557836,3.6510557836,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Hf-Mn,4.0,AB2C_oI8_71_a_e_b:Co-Hf-Mn +mp-1184602,Hf2MnCo,-9.352285685,-0.3061078982,0.0023971986,0.0023971986,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Hf-Mn,4.0,AB2C_cF16_225_a_c_b:Co-Hf-Mn +mp-1028168,CaMg14Zr,-2.01665109,0.0431752356,0.0815618492,0.0815618492,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Zr, expected CaMg18Zr to be CaMg14Zr" +mp-1028164,CaMg14Zr,-2.0222819012,0.0375444244,0.075931038,0.075931038,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Zr, expected CaMg26Zr to be CaMg14Zr" +mp-1023312,CaMg6Zr,-2.427960975,0.0914116262,0.1435365591,0.1435365591,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Zr, expected CaMg12Zr to be CaMg6Zr" +mp-1023329,CaMg6Zr,-2.5050456938,0.0143269075,0.0664518403,0.0664518403,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ca-Mg-Zr,8.0,AB6C_tP8_123_a_fk_c:Ca-Mg-Zr +mp-1186630,PmPrZn2,-3.32878534,-0.3160515156,0.0,-0.0456068219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Pm-Pr-Zn +mp-972522,SmTmZn2,-3.2639275175,-0.3354503229,0.008225665,0.008225665,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sm-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Sm-Tm-Zn +mp-1077034,NdMgSn,-4.0670170917,-0.6076839792000001,0.0,-0.099743499,GGA,I4/mmm,ABC_tI12_139_c_e_e:Mg-Nd-Sn,6.0,ABC_tI12_139_c_e_e:Mg-Nd-Sn +mp-866077,MgSc2Cd,-3.965923295,-0.16889629,0.0,-0.00376264,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Sc +mp-977556,MgScCd2,-2.6993061575,-0.2546739888,0.0,-0.0558451356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Sc,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Sc +mp-1185730,Mg16TaAl12,-2.8343391193,0.0073563424,0.0746794731,0.0746794731,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Ta,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b6c_a:Al-Mg-Ta, expected Mg61TaAl39 to be Mg16TaAl12" +mp-1185732,Mg16TaAl12,-2.8349608293,0.0067346324,0.0740577631,0.0740577631,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Ta,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c5g_a:Al-Mg-Ta, expected Mg76TaAl12 to be Mg16TaAl12" +mp-1198942,Mg3(TaAl9)2,-4.2924745743,-0.1213110809,0.0,-0.0017666415,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Ta,46.0,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Ta +mp-1194441,Ti6Ga16Os7,-6.2446278066,-0.2303498593,0.1873641795,0.1873641795,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Os-Ti +mp-21316,TaSiIr,-9.5273613,-0.8201846867,0.0,-0.1753425437,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Ta,12.0,ABC_oP12_62_c_c_c:Ir-Si-Ta +mp-1095952,ScTiZn2,-1.8881468675,2.2987152179,2.58596363,2.58596363,GGA,Immm,ABC2_oI8_71_a_b_e:Sc-Ti-Zn,4.0,ABC2_oI8_71_a_b_e:Sc-Ti-Zn +mp-863718,PmNi3,-5.7162323788,-0.1934942881,0.0,-0.1934942881,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-Pm,8.0,A3B_hP8_194_h_c:Ni-Pm +mp-1186454,Pm2CuNi,-5.0571034775,-0.2119964788,0.0,-0.1056522,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ni-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Ni-Pm +mp-865306,Tm2CuOs,-6.4036649625,-0.3341037258,0.0,-0.0149793528,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Os-Tm +mp-867887,Sm2CuIr,-6.077732205,-0.484028925,0.0434164176,0.0434164176,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Sm,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Sm +mp-867049,Ti13Si31Ni40,-6.6767557493,-0.7001876262000001,0.0,-0.0503500327,GGA,P6/mmm,A40B31C13_hP168_191_djlm2oqr_cij2k2op_elmn:Ni-Si-Ti,168.0,A40B31C13_hP168_191_djlm2oqr_cij2k2op_elmn:Ni-Si-Ti +mp-18583,Ti4Si7Ni4,-6.85644411,-0.6777947102,0.0,-0.011607731,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Ni-Si-Ti,30.0,"Invalid WP multiplicities - A4B7C4_tI60_139_k_2ehi3j_2h3i:Ni-Si-Ti, expected Ti5(Si3Ni)2 to be Ti4Si7Ni4" +mp-1199666,Ti4Si4Ni,-7.3000477582,-0.7374503286,0.0252436774,0.0252436774,GGA,Pnma,AB4C4_oP72_62_d_6cd_6cd:Ni-Si-Ti,72.0,AB4C4_oP72_62_d_6cd_6cd:Ni-Si-Ti +mp-3337,Ti6Si7Ni16,-6.8183039738,-0.68615345,0.0,-0.0450540361,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ni-Si-Ti,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_4f_ad_e:Ni-Si-Ti, expected Ti6Si7Ni32 to be Ti6Si7Ni16" +mp-510409,TiSiNi,-7.1883777717,-0.8213955294,0.0,-0.1059394839,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-Ti,12.0,ABC_oP12_62_c_c_c:Ni-Si-Ti +mp-1208276,Ti2SiNi3,-7.0394474358,-0.6133287519,0.0242765648,0.0242765648,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Ni-Si-Ti,12.0,A3BC2_hP12_194_h_a_f:Ni-Si-Ti +mp-1186592,PmHoRh2,-6.7988509525000005,-0.7834592194000001,0.0,-0.2033920996,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Pm-Rh,4.0,ABC2_cF16_225_a_b_c:Ho-Pm-Rh +mp-2221,Zr2Ag,-6.7502788533,-0.1076264322,0.0,-0.0267556333,GGA,I4/mmm,AB2_tI6_139_a_e:Ag-Zr,3.0,AB2_tI6_139_a_e:Ag-Zr +mp-11239,ZrAg,-5.811434515,-0.1213061983,0.0,-0.0405863742,GGA,P4/nmm,AB_tP4_129_c_c:Ag-Zr,4.0,AB_tP4_129_c_c:Ag-Zr +mp-1095993,ZrInAg2,-2.22591708,2.0152070117,2.1724411417,2.1724411417,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-In-Zr,4.0,A2BC_oI8_71_e_a_b:Ag-In-Zr +mp-1097606,Zr2InAg,-2.8602486375,2.8096616108,3.02754884,3.02754884,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-In-Zr,4.0,ABC2_oI8_71_a_b_e:Ag-In-Zr +mp-30362,Zr3Ag,-7.0958523075,0.0230621658,0.10378199,0.10378199,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Zr,4.0,AB3_cP4_221_a_c:Ag-Zr +mp-1190397,Zr5In3Ag,-6.2013092056,-0.2206302785,0.0367465772,0.0367465772,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ag-In-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ag-In-Zr +mp-1008601,ZrAg2,-4.7857217067,-0.0481174944,0.0327533044,0.0327533044,GGA,I4/mmm,A2B_tI6_139_e_a:Ag-Zr,3.0,A2B_tI6_139_e_a:Ag-Zr +mp-1096706,Sr2PdAu,-2.29980298,0.6583846992,1.3513707171,1.3513707171,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pd-Sr,4.0,ABC2_oI8_71_a_b_e:Au-Pd-Sr +mp-1187095,Sr2PdAu,-3.6097090625,-0.6515213833,0.0414646346,0.0414646346,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Pd-Sr,4.0,ABC2_cF16_225_a_b_c:Au-Pd-Sr +mp-729507,IrCl3,-4.5257625912,-0.9297515512,0.0292801062,-0.646610605,GGA,C2,A3B_mC32_5_6c_2a2b:Cl-Ir,16.0,A3B_aP16_1_12a_4a:Cl-Ir +mp-27666,IrCl3,-4.5550426975,-0.9590316575,0.0,-0.6758907112,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Ir,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Cl-Ir, expected IrCl5 to be IrCl3" +mp-568208,IrCl3,-4.5526590281,-0.9566479881,0.0023836694,-0.6735070419,GGA,Fddd,A3B_oF64_70_eh_f:Cl-Ir,16.0,"Invalid WP multiplicities - A3B_oF64_70_2e2h_f:Cl-Ir, expected IrCl6 to be IrCl3" +mp-865956,IrCl3,-4.0832519075,-0.4872408675,0.47179079,-0.2040999213,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Ir,8.0,A3B_hP8_194_h_c:Cl-Ir +mp-862845,IrCl2,-4.5560237617,-0.3775212617,0.4749513228,0.4749513228,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Ir,6.0,A2B_tP6_136_f_a:Cl-Ir +mp-1189532,Th3In5,-4.8444687456,-0.3444695706,0.0,-0.0284619469,GGA,Cmcm,A5B3_oC32_63_cfg_ce:In-Th,16.0,A5B3_oC32_63_cfg_ce:In-Th +mp-862932,ThInAg2,-4.18274963,-0.2250861333,0.0,-0.0058957925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Th,4.0,A2BC_cF16_225_c_a_b:Ag-In-Th +mp-21428,Th2In,-6.03553964,-0.1757395633,0.0300666883,0.0300666883,GGA,I4/mcm,AB2_tI12_140_a_h:In-Th,6.0,AB2_tI12_140_a_h:In-Th +mp-20206,ThIn3,-4.2599903275,-0.3427629675,0.0,-0.1131165871,GGA,Pm-3m,A3B_cP4_221_c_a:In-Th,4.0,A3B_cP4_221_c_a:In-Th +mp-1187887,ThIn,-5.37202327,-0.28925228,0.0,-0.0049114871,GGA,P4/mmm,AB_tP2_123_a_d:In-Th,2.0,AB_tP2_123_a_d:In-Th +mp-1187064,Th3In,-6.4123978575,-0.1640832375,0.0,-0.0194570975,GGA,Pm-3m,AB3_cP4_221_a_c:In-Th,4.0,AB3_cP4_221_a_c:In-Th +mp-1096159,NbSnRu2,-5.07944781,3.0854726837,3.30853413,3.2621789918,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ru-Sn,4.0,AB2C_oI8_71_a_e_b:Nb-Ru-Sn +mp-1186233,NbSnRu2,-8.38798194,-0.2230614462,0.0,-0.0463551382,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Sn +mp-631352,NbSnRu,-7.17363226,0.6214608850000001,0.8288922929,0.8288922929,GGA,F-43m,ABC_cF12_216_a_b_c:Nb-Ru-Sn,3.0,ABC_cF12_216_a_b_c:Nb-Ru-Sn +mp-867288,TbHg3,-1.7457562838,-0.359404485,0.0,-0.066706015,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Tb,8.0,A3B_hP8_194_h_c:Hg-Tb +mp-2054,TbHg,-2.95477561,-0.4857523775,0.0,-0.189515936,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Tb,2.0,AB_cP2_221_a_b:Hg-Tb +mp-1187279,Tb3Hg,-3.70688883,-0.1551941638,0.087682025,0.087682025,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Tb,4.0,AB3_cP4_221_a_c:Hg-Tb +mp-1062648,TbHg2,-2.0795348033,-0.3322925267,0.0692279225,0.0692279225,GGA,C2/m,A2B_mC6_12_i_a:Hg-Tb,3.0,A2B_mC6_12_i_a:Hg-Tb +mp-1206728,TbHg2,-2.1375069033,-0.3902646267,0.0112558225,0.0112558225,GGA,P-3m1,A2B_hP3_164_d_a:Hg-Tb,3.0,A2B_hP3_164_d_a:Hg-Tb +mp-1187276,Tb2InHg,-3.5513902125,-0.4703661387,0.0,-0.0195499752,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Tb,4.0,ABC2_cF16_225_a_b_c:Hg-In-Tb +mp-865895,GaGeRu2,-6.8558655675,-0.3058833281,0.0,-0.0038838946,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ge-Ru,4.0,ABC2_cF16_225_a_b_c:Ga-Ge-Ru +mp-977387,TbAgHg2,-2.364770005,-0.3461992967,0.0,-0.0169581661,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Hg-Tb,4.0,AB2C_cF16_225_a_c_b:Ag-Hg-Tb +mp-1185331,LiDy2Rh,-5.10460274,-0.4829016358,0.0171197585,0.0171197585,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Dy-Li-Rh +mp-1185501,LuMgTl2,-2.8649332575,-0.1533040417,0.0398177867,0.0398177867,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Lu-Mg-Tl +mp-1205959,LuMgTl,-3.0854536767,-0.2574957711,0.0,-0.0774332949,GGA,P-62m,ABC_hP9_189_f_g_ad:Lu-Mg-Tl,9.0,ABC_hP9_189_f_g_ad:Lu-Mg-Tl +mp-582142,Ce3Bi4Pd3,-5.6826213815,-0.81253444,0.0,-0.0269442986,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Ce-Pd,20.0,A4B3C3_cI40_220_c_a_b:Bi-Ce-Pd +mp-604453,CeBiPd,-5.8506756367,-0.8661889383,0.0,-0.0436734753,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Ce-Pd,3.0,ABC_cF12_216_a_b_c:Bi-Ce-Pd +mp-1226947,Ce4Bi8Pd3,-5.3288830213,-0.662488682,0.006548586,0.006548586,GGA,P-4m2,A8B4C3_tP15_115_ef2g_2g_abc:Bi-Ce-Pd,15.0,"Invalid WP multiplicities - A8B4C3_tP15_115_ef4g_4g_abc:Bi-Ce-Pd, expected Ce8(Bi4Pd)3 to be Ce4Bi8Pd3" +mp-676609,Ga6SnTe10,-3.7249664906,-0.5713660833,0.0019663985,-0.0053400115,GGA,C2,A6BC10_mC68_5_6c_c_ab9c:Ga-Sn-Te,34.0,"Invalid WP multiplicities - A6BC10_mC68_5_11c_c_ab18c:Ga-Sn-Te, expected Ga11SnTe19 to be Ga6SnTe10" +mp-531948,Ga6SnTe10,-3.7269328891,-0.5733324819,0.0,-0.00730641,GGA,P3_121,A6BC10_hP102_152_6c_c_ab9c:Ga-Sn-Te,102.0,"Invalid WP multiplicities - A6BC10_hP102_152_35c_c_2a3b47c:Ga-Sn-Te, expected Ga70Sn2Te99 to be Ga6SnTe10" +mp-1208448,Tb4Ga12Ag,-3.9140233035,-0.5194837345000001,0.0,-0.0078298331,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Ag-Ga-Tb,17.0,AB12C4_cI34_229_a_de_c:Ag-Ga-Tb +mp-1208317,TbGa2Ag,-3.9006384594,-0.5198599223,0.0,-0.0268434285,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-Ga-Tb,16.0,AB2C_oP16_62_c_2c_c:Ag-Ga-Tb +mp-1103538,Tb3Ga8Ag3,-3.7967641321,-0.4663688114,0.0,-0.0016983779,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Tb,14.0,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Tb +mp-1217528,TbGaAg,-3.982685635,-0.4843462597,0.005207875,0.005207875,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ga-Tb,6.0,ABC_mC12_12_i_i_i:Ag-Ga-Tb +mp-981391,Hg3Ir,-1.9777002375,0.4596685813,0.4596685813,0.4596685813,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-Ir,4.0,A3B_tI8_139_ad_b:Hg-Ir +mp-1096142,La2HgIr,-3.360711275,1.3928209138,2.0032775975,2.0032775975,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Ir-La,4.0,ABC2_oI8_71_a_b_e:Hg-Ir-La +mp-1205601,Yb2SnPd2,-4.340020782,-0.8503103750000001,0.0174784005,0.0174784005,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Pd-Sn-Yb,,A2BC2_tP10_127_g_a_h:Pd-Sn-Yb +mp-1202245,Yb3(SnPd)2,-4.1387718946,-0.8533815846,0.0,-0.031019667,GGA,Pbcm,A2B2C3_oP56_57_2e_ac2d_2d2e:Pd-Sn-Yb,,A2B2C3_oP56_57_2e_ac2d_2d2e:Pd-Sn-Yb +mp-16641,YbSn2Pd,-4.3948183737,-0.7101599238,0.0,-0.0068615249,GGA,Cmcm,AB2C_oC16_63_c_f_c:Pd-Sn-Yb,,AB2C_oC16_63_c_f_c:Pd-Sn-Yb +mp-3204,YbSnPd,-4.4490914375,-0.8727374558000001,0.0,-0.0656204552,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sn-Yb,,ABC_oP12_62_c_c_c:Pd-Sn-Yb +mp-4106,YbSnPd,-4.43588007,-0.8595260883,0.0132113675,-0.0524090877,GGA,P-62m,ABC_hP9_189_ad_g_f:Pd-Sn-Yb,,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Pd-Sn-Yb, expected Yb3Sn3Pd5 to be YbSnPd" +mp-1207673,Yb2Sn5Pd3,-4.5659858703000005,-0.6993137438,0.0,-0.024822776,GGA,Pnma,A3B5C2_oP40_62_3c_5c_2c:Pd-Sn-Yb,,A3B5C2_oP40_62_3c_5c_2c:Pd-Sn-Yb +mp-4053,YbSnPd2,-4.7976624775,-0.8204265388,0.0,-0.0539581455,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Yb,,A2BC_cF16_225_c_a_b:Pd-Sn-Yb +mp-1224089,Ho(CrFe5)2,-8.3530786808,-0.0001005338,0.0258304672,0.0258304672,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Ho,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Ho +mp-1106216,Ho2Co17,-6.9446366379,-0.1022039929,0.0003679787,-0.0215941566,GGA,R-3m,A17B2_hR57_166_cdfh_c:Co-Ho,19.0,A17B2_hR57_166_cdfh_c:Co-Ho +mp-1023,Ho2Co17,-6.9450046166,-0.1025719716,0.0,-0.0219621353,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Ho,38.0,A17B2_hP38_194_fgjk_bc:Co-Ho +mp-2396,HoCo2,-6.489755945,-0.2234077917,0.0,-0.0313307017,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Ho,6.0,A2B_cF24_227_c_b:Co-Ho +mp-1212234,Ho6Co2Sn,-5.4209214122,-0.340848005,0.0004921945,0.0004921945,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Ho-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Ho-Sn +mp-1224199,Ho4Co3,-5.85241312,-0.1874718536,0.0127204011,0.0127204011,GGA,P-3,A3B4_hP21_147_adg_2g:Co-Ho,21.0,A3B4_hP21_147_adg_2g:Co-Ho +mp-1212427,Ho4Co,-4.787727943,0.299862712,0.4364381355,0.4364381355,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Ho,10.0,AB4_cF40_227_a_e:Co-Ho +mp-30558,HoCo3,-6.668288925,-0.1914483612,0.0,-0.0121921192,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Ho,12.0,A3B_hR36_166_ach_bc:Co-Ho +mp-542403,HoCoSn2,-5.1706362962,-0.2431687025,0.1912370473,0.1912370473,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Ho-Sn,8.0,ABC2_oC16_63_c_c_2c:Co-Ho-Sn +mp-1224297,Ho4CoSn8,-4.9375979115,-0.5134034412,0.019229859,0.019229859,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Ho-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Ho-Sn +mp-1212440,Ho3(Co2Sn)4,-6.0761839747,-0.2993802153,0.013066476,0.013066476,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Ho-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Ho-Sn +mp-1203536,Ho5(CoSn3)6,-5.100153751,-0.3506970438,0.0189632526,0.0189632526,GGA,I4_1/acd,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Ho-Sn,116.0,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Ho-Sn +mp-1105734,Ho2Co7,-6.6754806889000005,-0.1284759883,0.045915288,0.045915288,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Co-Ho,18.0,A7B2_hR54_166_a2cdh_2c:Co-Ho +mp-1212284,Ho3Co6Sn5,-5.8004311107,-0.3400744925,0.0134815563,0.0134815563,GGA,Immm,A6B3C5_oI28_71_fm_ai_bm:Co-Ho-Sn,14.0,A6B3C5_oI28_71_fm_ai_bm:Co-Ho-Sn +mp-5601,HoCoSn,-5.724945735,-0.491512895,0.0,-0.0230736239,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ho-Sn,12.0,ABC_oP12_62_c_c_c:Co-Ho-Sn +mp-622565,Ho3Co,-5.3846053806,-0.1707192794,0.0,-0.0388543415,GGA,Pnma,AB3_oP16_62_c_cd:Co-Ho,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_2c3d:Co-Ho, expected Ho8Co to be Ho3Co" +mp-2435,HoCo5,-6.8056231983,-0.1182902242,0.0219868824,0.0219868824,GGA,P6/mmm,A5B_hP6_191_cg_a:Co-Ho,6.0,A5B_hP6_191_cg_a:Co-Ho +mp-5321,Ho7Co6Sn23,-5.0410567042,-0.4036422174,0.0,-0.0244618124,GGA,P-3m1,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Ho-Sn,36.0,"Invalid WP multiplicities - A6B7C23_hP36_164_i_ai_b3d3g4i:Co-Ho-Sn, expected Ho7Co6Sn49 to be Ho7Co6Sn23" +mp-30969,Ho12Co7,-5.7073341718,-0.1943272768,0.0,-0.0086333677,GGA,P2_1/c,A7B12_mP38_14_a3e_6e:Co-Ho,38.0,"Invalid WP multiplicities - A7B12_mP38_14_a3e_7e:Co-Ho, expected Ho2Co to be Ho12Co7" +mp-648774,Zr2Cl5,-5.8424339797,-2.0798504711,0.0595702024,0.0595702024,GGA,Ia-3d,A5B2_cI336_230_g2h_h:Cl-Zr,168.0,"Invalid WP multiplicities - A5B2_cI336_230_19g58h_h:Cl-Zr, expected Zr2Cl135 to be Zr2Cl5" +mp-1188032,Zr3Cl,-6.8183345012,0.0545751362,0.8496028063000001,0.8496028063000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-Zr,8.0,AB3_hP8_194_c_h:Cl-Zr +mp-571537,ZrCl2,-6.0614790178,-1.9798877011,0.0738226056,0.0192663781,GGA,R-3,A2B_hR54_148_2f_f:Cl-Zr,18.0,"Invalid WP multiplicities - A2B_hR54_148_4f_f:Cl-Zr, expected ZrCl4 to be ZrCl2" +mp-23162,ZrCl2,-6.1353016233,-2.0537103067,0.0,-0.0545562275,GGA,R3m,A2B_hR9_160_2a_a:Cl-Zr,3.0,A2B_hR9_160_2a_a:Cl-Zr +mp-1100795,ZrCl3,-5.7013126612,-2.1779850087,0.02571844,0.009477825,GGA,P-1,A3B_aP8_2_3i_i:Cl-Zr,8.0,"Invalid WP multiplicities - A3B_aP8_2_5i_i:Cl-Zr, expected ZrCl5 to be ZrCl3" +mp-1192044,ZrCl3,-5.7066061812,-2.1832785288,0.02042492,0.004184305,GGA,C2/m,A3B_mC48_12_3i3j_ij:Cl-Zr,24.0,A3B_mC48_12_3i3j_ij:Cl-Zr +mp-2353328,ZrCl3,-5.6734313138,-2.1501036613,0.0535997875,0.0373591725,GGA,C2/m,A3B_mC16_12_ij_g:Cl-Zr,8.0,A3B_mC16_12_ij_g:Cl-Zr +mp-685155,ZrCl3,-5.6559589762,-2.1326313238,0.071072125,0.05483151,GGA,R-3,A3B_hR24_148_f_c:Cl-Zr,8.0,A3B_hR24_148_f_c:Cl-Zr +mp-569391,ZrCl3,-5.6567959588,-2.1334683063,0.0702351425,0.0539945275,GGA,P-31m,A3B_hP8_162_k_c:Cl-Zr,8.0,A3B_hP8_162_k_c:Cl-Zr +mp-22871,ZrCl3,-5.7270311012,-2.2037034487,0.0,-0.016240615,GGA,P6_3/mcm,A3B_hP8_193_g_b:Cl-Zr,8.0,A3B_hP8_193_g_b:Cl-Zr +mp-29018,ZrSnCl6,-4.8766062152,-1.9205446596,0.0226247101,0.0226247101,GGA,Pc,A6BC_mP48_7_18a_3a_3a:Cl-Sn-Zr,48.0,A6BC_mP48_7_18a_3a_3a:Cl-Sn-Zr +mp-569175,ZrCl4,-5.456083804,-2.26771435,0.0,-0.504751591,GGA,P2/c,A4B_mP10_13_2g_e:Cl-Zr,10.0,"Invalid WP multiplicities - A4B_mP10_13_6g_e:Cl-Zr, expected ZrCl12 to be ZrCl4" +mp-1067974,ZrCl,-6.7295544225,-1.5314357775,0.0586195625,0.0088469525,GGA,P-3m1,AB_hP4_164_d_d:Cl-Zr,4.0,AB_hP4_164_d_d:Cl-Zr +mp-27440,ZrCl,-6.788173985,-1.5900553400000002,0.0,-0.04977261,GGA,R-3m,AB_hR12_166_c_c:Cl-Zr,4.0,AB_hR12_166_c_c:Cl-Zr +mp-1221812,Mn4Ga,-7.829664876,0.1055665622,0.1616808932,0.1616808932,GGA,R-3m,AB4_hR15_166_a_2c:Ga-Mn,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ga-Mn, expected Mn6Ga to be Mn4Ga" +mp-1188501,Mn3Ga4Ni9,-6.0077613981,-0.2815326427,0.0128454987,0.0128454987,GGA,P4/mmm,A4B3C9_tP16_123_ace_bf_dr:Ga-Mn-Ni,16.0,"Invalid WP multiplicities - A4B3C9_tP16_123_ace_b2f_dr:Ga-Mn-Ni, expected Mn5Ga4Ni9 to be Mn3Ga4Ni9" +mp-1189147,Mn3Ga4Ni9,-6.0018397838,-0.2756110284,0.0187671131,0.0187671131,GGA,Pm-3m,A4B3C9_cP16_221_ac_d_bg:Ga-Mn-Ni,16.0,A4B3C9_cP16_221_ac_d_bg:Ga-Mn-Ni +mp-1194466,Mn8Ga5,-6.713836315,0.088979258,0.1968914332,0.1968914332,GGA,I-43m,A5B8_cI52_217_ce_cg:Ga-Mn,26.0,A5B8_cI52_217_ce_cg:Ga-Mn +mp-1222026,Mn2GaNi,-6.9794954425,-0.1964296208,0.0050790315,0.0050790315,GGA,I-4m2,AB2C_tI8_119_a_bc_d:Ga-Mn-Ni,4.0,AB2C_tI8_119_a_bc_d:Ga-Mn-Ni +mp-1206407,Mn2GaNi,-6.847163755,-0.0640979333,0.137410719,0.137410719,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-Ni,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-Ni +mp-1069288,MnGa4,-4.431116824,-0.1762369476,0.0,-0.0326029288,GGA,Im-3m,A4B_cI10_229_c_a:Ga-Mn,5.0,A4B_cI10_229_c_a:Ga-Mn +mp-1206866,MnGa2Ni,-5.41528858,-0.1657025757,0.1246185053,0.1246185053,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Mn-Ni,4.0,A2BC_cF16_225_c_a_b:Ga-Mn-Ni +mp-607225,Mn2Ga5,-4.914383,-0.1337386148,0.0322265843,0.0322265843,GGA,P4/mbm,A5B2_tP14_127_cj_g:Ga-Mn,14.0,A5B2_tP14_127_cj_g:Ga-Mn +mp-1222110,MnGa2Ni9,-5.8333899767,-0.2301035219,0.0023727133,0.0023727133,GGA,P4/mmm,A2BC9_tP12_123_g_a_cehi:Ga-Mn-Ni,12.0,"Invalid WP multiplicities - A2BC9_tP12_123_g_a_c2eh3i:Ga-Mn-Ni, expected MnGa2Ni19 to be MnGa2Ni9" +mp-1210627,Mn3Ga,-7.648146075,-0.0196106003,0.0505323135,0.0505323135,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Mn,4.0,AB3_tI8_139_a_bd:Ga-Mn +mp-1221851,Mn3Ga,-7.5303712775,0.0981641972,0.168307111,0.168307111,GGA,R-3m,AB3_hR12_166_a_bc:Ga-Mn,4.0,"Invalid WP multiplicities - AB3_hR12_166_a_b2c:Ga-Mn, expected Mn5Ga to be Mn3Ga" +mp-1221828,Mn3Ga,-7.5884725825,0.0400628922,0.110205806,0.110205806,GGA,P-6m2,AB3_hP4_187_a_bh:Ga-Mn,4.0,AB3_hP4_187_a_bh:Ga-Mn +mp-1078584,Mn3Ga,-7.601298145,0.0272373297,0.0973802435,0.0973802435,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Mn,8.0,AB3_hP8_194_c_h:Ga-Mn +mp-999550,Mn3Ga,-7.6124551925,0.0160802822,0.086223196,0.086223196,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Mn,4.0,AB3_cF16_225_a_bc:Ga-Mn +mp-1104563,MnGa6,-3.9330877114,-0.0287175076,0.0971660264,0.0971660264,GGA,Cmcm,A6B_oC28_63_efg_c:Ga-Mn,14.0,A6B_oC28_63_efg_c:Ga-Mn +mp-1210773,MnGaNi,-6.2474483450000005,-0.2573656801,0.011312523,0.011312523,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Mn-Ni,6.0,ABC_hP6_194_c_a_d:Ga-Mn-Ni +mp-1196402,Mn6Ga29,-4.2235779343,-0.1439528941,0.0071073466,0.0071073466,GGA,P-1,A29B6_aP70_2_29i_6i:Ga-Mn,70.0,A29B6_aP70_2_29i_6i:Ga-Mn +mp-1001836,MnGa,-6.235341485,-0.1402858277,0.0,-0.0301377355,GGA,P4/mmm,AB_tP2_123_a_d:Ga-Mn,2.0,AB_tP2_123_a_d:Ga-Mn +mp-636105,MnGa,-6.1847365804,-0.0896809231,0.0506049046,0.0204671691,GGA,R-3m,AB_hR78_166_bfh_a2h:Ga-Mn,26.0,"Invalid WP multiplicities - AB_hR78_166_b4f4h_a6h:Ga-Mn, expected Mn37Ga49 to be MnGa" +mp-1221639,MnGa,-6.130965105,-0.0359094477,0.10437638,0.0742386445,GGA,P-6m2,AB_hP2_187_a_d:Ga-Mn,2.0,AB_hP2_187_a_d:Ga-Mn +mp-604537,MnGaNi2,-6.2263070045,-0.2887108359,0.0068245255,-0.0205042142,GGA,C2/m,ABC2_mC40_12_a2i_b2i_h2j:Ga-Mn-Ni,20.0,"Invalid WP multiplicities - ABC2_mC40_12_a3i_b4i_2h8j:Ga-Mn-Ni, expected Mn9Ga7Ni36 to be MnGaNi2" +mp-606675,MnGaNi2,-6.2300615105,-0.2924653419,0.0030700195,-0.0242587202,GGA,Pnnm,ABC2_oP56_58_a3g_b3g_f3h:Ga-Mn-Ni,56.0,"Invalid WP multiplicities - ABC2_oP56_58_2a9g_2b8g_3f16h:Ga-Mn-Ni, expected Mn9(Ga2Ni7)5 to be MnGaNi2" +mp-1066921,MnGaNi2,-6.2045825775,-0.2669864089,0.0285489525,0.0012202128,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ga-Mn-Ni,4.0,ABC2_tP4_123_a_c_e:Ga-Mn-Ni +mp-601285,MnGaNi2,-6.23313153,-0.2955353614,0.0,-0.0273287397,GGA,I4/mmm,ABC2_tI8_139_a_b_d:Ga-Mn-Ni,4.0,ABC2_tI8_139_a_b_d:Ga-Mn-Ni +mp-20228,MnGaNi2,-6.227247565,-0.2896513964,0.005883965,-0.0214447747,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mn-Ni,4.0,ABC2_cF16_225_a_b_c:Ga-Mn-Ni +mp-1223915,HoGePd,-5.70465218,-0.9095460017,0.0818151567,-0.0104821779,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ho-Pd,6.0,ABC_mC12_12_i_i_i:Ge-Ho-Pd +mp-1185164,HoGePd,-5.7808795711,-0.9857733928,0.0055877656,-0.086709569,GGA,Imm2,ABC_oI36_44_3c_ab2c_3c:Ge-Ho-Pd,18.0,ABC_oI36_44_3c_ab2c_3c:Ge-Ho-Pd +mp-1190523,HoGePd,-5.7864673367,-0.9913611583,0.0,-0.0922973346,GGA,Pmmn,ABC_oP24_59_2e_abe_2e:Ge-Ho-Pd,24.0,ABC_oP24_59_2e_abe_2e:Ge-Ho-Pd +mp-3354,Ho3(GePd)4,-5.71063622,-0.8961939227,0.0016688227,0.0016688227,GGA,Immm,A4B3C4_oI22_71_eg_bf_n:Ge-Ho-Pd,11.0,A4B3C4_oI22_71_eg_bf_n:Ge-Ho-Pd +mp-1224149,Ho4Ge8Pd,-5.2839680046,-0.6306033792,0.0269540537,0.0269540537,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Pd,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Pd +mp-1189077,HoGePd2,-5.8052227231,-0.9139226369,0.0,-0.0288359273,GGA,Pnma,ABC2_oP16_62_c_c_d:Ge-Ho-Pd,16.0,ABC2_oP16_62_c_c_d:Ge-Ho-Pd +mp-4742,Ho(GePd)2,-5.62331029,-0.78566465,0.0,-0.0054782593,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Ho-Pd,5.0,A2BC2_tI10_139_e_a_d:Ge-Ho-Pd +mp-10862,Ho2Ge6Pd,-5.1658017222,-0.4899276467,0.048249306,0.048249306,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Pd,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Pd +mp-1206013,HoGe2Pd,-5.4545550125,-0.702468415,0.0453479719,0.0410524538,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ho-Pd,8.0,A2BC_oC16_63_2c_c_c:Ge-Ho-Pd +mp-1212102,HoGe2Pd,-5.4999029844,-0.7478163869000001,0.0,-0.0042955181,GGA,Immm,A2BC_oI32_71_efm_ei_m:Ge-Ho-Pd,16.0,A2BC_oI32_71_efm_ei_m:Ge-Ho-Pd +mp-1224062,Ho2Ge4Pd,-5.3443483914,-0.6533753957,0.0385664006,0.0385664006,GGA,Amm2,A4B2C_oC14_38_2a2b_ab_a:Ge-Ho-Pd,,A4B2C_oC14_38_2a2b_ab_a:Ge-Ho-Pd +mp-1093717,Sc2AlIn,-2.5820594725,2.20848997,2.648297755,2.648297755,GGA,Immm,ABC2_oI8_71_a_b_e:Al-In-Sc,4.0,ABC2_oI8_71_a_b_e:Al-In-Sc +mp-978929,SrAcZn2,-2.3142956175,-0.2317566973,0.0,-0.0437564773,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Sr-Zn,4.0,ABC2_cF16_225_a_b_c:Ac-Sr-Zn +mp-1184464,Eu2ZnIn,-6.4987107575,-0.3673530225,0.0,-0.0163723552,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-In-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-In-Zn +mp-1225425,EuZnIn,-5.146723895,-0.3905808483,0.0036809608,0.0036809608,GGA,C2/m,ABC_mC12_12_i_i_i:Eu-In-Zn,6.0,ABC_mC12_12_i_i_i:Eu-In-Zn +mp-1225768,EuZnIn3,-4.247107858,-0.292748538,0.0227323029,0.0227323029,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-In-Zn,5.0,AB3C_tI10_107_a_ab_a:Eu-In-Zn +mp-867253,LiZn2Ir,-3.6690925125,-0.3523814458,0.0,-0.116089935,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Zn,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Zn +mp-13376,SmZnRh,-5.1320019992,-0.6844561275000001,0.0,-0.1235906138,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Sm-Zn,12.0,ABC_oP12_62_c_c_c:Rh-Sm-Zn +mp-1212903,ErZnRh,-5.1486575842,-0.7514008208,0.0,-0.0682705379,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Rh-Zn,12.0,ABC_oP12_62_c_c_c:Er-Rh-Zn +mp-977538,ErZnRh2,-5.8354195125,-0.6963999725000001,0.0,-0.0308380925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Zn +mp-1208361,Tb(Al5Ru)2,-5.1841219519,-0.519588915,0.0,-0.0343644177,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Tb,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Tb +mp-1195573,Tb3(Al3Ru)4,-5.7149984739,-0.6651238203000001,0.0,-0.0378667843,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Tb,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Tb +mp-865569,Ti2MnIr,-9.1499237975,-0.7020654211,0.0,-0.1343277134,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mn-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Mn-Ti +mp-1096473,TiMnIr2,-6.0966212475,2.5869726697,3.167838668,3.167838668,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Mn-Ti,4.0,A2BC_oI8_71_e_a_b:Ir-Mn-Ti +mp-1187499,TiMnIr2,-9.2613991,-0.5778051828,0.0030608155,0.0030608155,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mn-Ti,4.0,A2BC_cF16_225_c_a_b:Ir-Mn-Ti +mp-1208104,TmBr2,-4.3106717662000005,-1.7833744051,0.2561643186,0.2561643186,GGA,Pbca,A2B_oP24_61_2c_c:Br-Tm,24.0,A2B_oP24_61_2c_c:Br-Tm +mp-865301,TmBr3,-4.5782111675,-2.2944810642,0.0,-0.9569502603,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Tm,8.0,A3B_hP8_194_h_c:Br-Tm +mp-1187584,TmBr,-4.28363497,-1.2692030933,0.2604509494,0.2604509494,GGA,P6_3mc,AB_hP4_186_b_b:Br-Tm,4.0,AB_hP4_186_b_b:Br-Tm +mp-1211067,LiTm2Br5,-4.1244807869,-1.7962638665,0.2028535855,0.2028535855,GGA,C2/c,A5BC2_mC32_15_e2f_c_f:Br-Li-Tm,16.0,A5BC2_mC32_15_e2f_a_f:Br-Li-Tm +mp-1220131,NiBi6Rh,-4.6486622344,-0.1252398181,0.0091348373,0.0091348373,GGA,Pmc2_1,A6BC_oP16_26_3a3b_a_b:Bi-Ni-Rh,16.0,A6BC_oP16_26_3a3b_a_b:Bi-Ni-Rh +mp-1187608,Tm2CuRh,-5.72539452,-0.6215981733,0.0155797925,0.0155797925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Rh-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Rh-Tm +mp-861971,PaGaCu2,-5.321417985,-0.1361244794,0.0,-0.0099826742,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Pa,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Pa +mp-1184001,GaCu3,-3.9224417325,-0.0910127244,0.00367338,-0.0031854562,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Ga,4.0,A3B_tI8_139_ad_b:Cu-Ga +mp-865798,GaCu3,-3.9244329075,-0.0930038994,0.001682205,-0.0051766312,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-Ga,8.0,A3B_hP8_194_h_c:Cu-Ga +mp-1183995,GaCu3,-3.9261151125,-0.0946861044,0.0,-0.0068588362,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Ga,4.0,A3B_cP4_221_c_a:Cu-Ga +mp-1077001,GaCu2,-3.7200083467,0.0221614408,0.1285481926,0.1285481926,GGA,Imma,A2B_oI12_74_h_e:Cu-Ga,6.0,A2B_hP3_191_c_b:Cu-Ga +mp-2281971,GaCu2,-3.72008361,0.0220861775,0.1284729293,0.1284729293,GGA,P6/mmm,A2B_hP3_191_c_b:Cu-Ga,3.0,A2B_hP3_191_c_b:Cu-Ga +mp-984518,Ga3Cu,-3.2367222625,0.0591514219,0.1222850981,0.1222850981,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-Ga,4.0,AB3_cP4_221_a_c:Cu-Ga +mp-1224832,GaCu4,-3.85919044,0.0257941005,0.101542984,0.101542984,GGA,R-3m,A4B_hR15_166_2c_a:Cu-Ga,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Cu-Ga, expected GaCu6 to be GaCu4" +mp-11359,Ga2Cu,-3.46931114,-0.084178235,0.0,-0.0321324465,GGA,P4/mmm,AB2_tP3_123_a_h:Cu-Ga,3.0,AB2_tP3_123_a_h:Cu-Ga +mp-1197621,Ga4Cu9,-3.8777292623,-0.1080950992,0.0,-0.0148639306,GGA,P-43m,A9B4_cP52_215_3efgi_ei:Cu-Ga,52.0,A9B4_cP52_215_3efgi_ei:Cu-Ga +mp-677371,Sr4LaCl11,-4.7918525344,-2.7901097732,0.0976500397,0.0976500397,GGA,P1,A11BC4_aP32_1_22a_2a_8a:Cl-La-Sr,32.0,A11BC4_aP32_1_22a_2a_8a:Cl-La-Sr +mp-1218463,Sr4LaCl11,-4.7841320213,-2.7823892601,0.1053705528,0.1053705528,GGA,I4/mmm,A11BC4_tI32_139_ad2g_b_2e:Cl-La-Sr,16.0,"Invalid WP multiplicities - A11BC4_tI32_139_a2d5g_b_2e:Cl-La-Sr, expected Sr4LaCl25 to be Sr4LaCl11" +mp-782053,Sr9La5Cl33,-5.0008657591,-2.8543298786,0.0286257597,0.0286257597,GGA,P-1,A33B5C9_aP94_2_33i_5i_9i:Cl-La-Sr,94.0,"Invalid WP multiplicities - A33B5C9_aP94_2_65i_9i_17i:Cl-La-Sr, expected Sr17La9Cl65 to be Sr9La5Cl33" +mp-771883,Sr3LaCl9,-4.9257580163,-2.8764259083,0.0097549102,0.0097549102,GGA,Pc,A9BC3_mP52_7_18a_2a_6a:Cl-La-Sr,52.0,"Invalid WP multiplicities - A9BC3_mP52_7_34a_4a_12a:Cl-La-Sr, expected Sr6La2Cl17 to be Sr3LaCl9" +mp-724714,Sr25Cl52,-2.8743508343,-1.077451579,1.7419660725,1.7419660725,GGA,P-1,A52B25_aP77_2_26i_a12i:Cl-Sr,77.0,"Invalid WP multiplicities - A52B25_aP77_2_50i_a24i:Cl-Sr, expected Sr49Cl100 to be Sr25Cl52" +mp-531572,Sr25Cl52,-4.5912548761,-2.7943556209,0.0250620306,0.0250620306,GGA,P-1,A52B25_aP77_2_26i_a12i:Cl-Sr,77.0,"Invalid WP multiplicities - A52B25_aP77_2_50i_a24i:Cl-Sr, expected Sr49Cl100 to be Sr25Cl52" +mp-1366228,Sr25Cl52,-3.9949441916,-2.1980449363,0.6213727152,0.6213727152,GGA,P-1,A52B25_aP77_2_26i_a12i:Cl-Sr,77.0,"Invalid WP multiplicities - A52B25_aP77_2_50i_a24i:Cl-Sr, expected Sr49Cl100 to be Sr25Cl52" +mp-1187157,SrCl3,-3.7887329088,-1.9799570504,0.1909945412,0.1909945412,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Sr,8.0,A3B_hP8_194_h_c:Cl-Sr +mp-1173598,Sr15La2Cl36,-4.7658922462,-2.8458594958,0.0446114208,0.0446114208,GGA,R3m,A36B2C15_hR159_160_36a_2a_15a:Cl-La-Sr,53.0,A36B2C15_hR159_160_36a_2a_15a:Cl-La-Sr +mp-768615,Sr3La2Cl12,-5.0243480647,-2.8406460359,0.0410764453,0.0410764453,GGA,C2/c,A12B2C3_mC68_15_6f_f_ef:Cl-La-Sr,34.0,"Invalid WP multiplicities - A12B2C3_mC68_15_23f_f_e2f:Cl-La-Sr, expected Sr5La2Cl46 to be Sr3La2Cl12" +mp-771889,Sr5La2Cl16,-4.8700701063,-2.7876323656,0.097450022,0.097450022,GGA,Ccce,A16B2C5_oC92_68_4i_h_agh:Cl-La-Sr,46.0,"Invalid WP multiplicities - A16B2C5_oC92_68_11i_h_2a2g2h:Cl-La-Sr, expected Sr5LaCl22 to be Sr5La2Cl16" +mp-756228,SrLaCl5,-5.0948712857,-2.8279878774,0.0509746807,0.0509746807,GGA,P-1,A5BC_aP14_2_5i_i_i:Cl-La-Sr,14.0,"Invalid WP multiplicities - A5BC_aP14_2_9i_i_i:Cl-La-Sr, expected SrLaCl9 to be SrLaCl5" +mp-768963,SrLaCl5,-5.0712854236,-2.8044020152,0.0745605429,0.0745605429,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:Cl-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:Cl-La-Sr, expected SrLaCl9 to be SrLaCl5" +mp-754999,SrLaCl5,-5.0686325407,-2.8017491324,0.0772134257,0.0772134257,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:Cl-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:Cl-La-Sr, expected SrLaCl9 to be SrLaCl5" +mp-772089,SrLaCl5,-5.0857914659,-2.8189080576,0.0600545005,0.0600545005,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:Cl-La-Sr,56.0,"Invalid WP multiplicities - A5BC_mP56_14_39e_5e_7e:Cl-La-Sr, expected Sr7La5Cl39 to be SrLaCl5" +mp-851090,SrLaCl5,-5.0683126998,-2.8014292915,0.0775332666,0.0775332666,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:Cl-La-Sr,56.0,"Invalid WP multiplicities - A5BC_mP56_14_37e_3e_7e:Cl-La-Sr, expected Sr7La3Cl37 to be SrLaCl5" +mp-768597,SrLaCl5,-5.0726881836,-2.8058047752,0.0731577829,0.0731577829,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:Cl-La-Sr,28.0,"Invalid WP multiplicities - A5BC_mP28_14_19e_e_e:Cl-La-Sr, expected SrLaCl19 to be SrLaCl5" +mp-1101356,SrLaCl5,-5.0956929,-2.8288094917,0.0501530664,0.0501530664,GGA,C2/c,A5BC_mC28_15_e2f_e_e:Cl-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e7f_e_e:Cl-La-Sr, expected SrLaCl16 to be SrLaCl5" +mp-768604,SrLaCl5,-5.0826390968,-2.8157556885,0.0632068696,0.0632068696,GGA,Pbcm,A5BC_oP28_57_d2e_d_c:Cl-La-Sr,28.0,"Invalid WP multiplicities - A5BC_oP28_57_2d3e_d_c:Cl-La-Sr, expected SrLaCl8 to be SrLaCl5" +mp-771879,Sr2LaCl7,-4.923417408,-2.7979423448,0.0857120825,0.0857120825,GGA,P2_1,A7BC2_mP40_4_14a_2a_4a:Cl-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_mP40_4_27a_3a_7a:Cl-La-Sr, expected Sr7La3Cl27 to be Sr2LaCl7" +mp-768633,Sr2LaCl7,-4.9792083915,-2.8537333283,0.029921099,0.029921099,GGA,P2_1/m,A7BC2_mP20_11_3e2f_e_f:Cl-La-Sr,20.0,"Invalid WP multiplicities - A7BC2_mP20_11_5e4f_e_f:Cl-La-Sr, expected Sr2LaCl13 to be Sr2LaCl7" +mp-771831,Sr2LaCl7,-4.9384697088,-2.8129946456,0.0706597818,0.0706597818,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_25e_e_5e:Cl-La-Sr, expected Sr5LaCl25 to be Sr2LaCl7" +mp-771888,Sr2LaCl7,-4.9633816275,-2.8379065643,0.045747863,0.045747863,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_21e_e_7e:Cl-La-Sr, expected Sr7LaCl21 to be Sr2LaCl7" +mp-771833,Sr2LaCl7,-4.9351966853,-2.8097216221,0.0739328053,0.0739328053,GGA,Pnma,A7BC2_oP40_62_3c2d_c_2c:Cl-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_oP40_62_11c6d_c_5c:Cl-La-Sr, expected Sr5LaCl23 to be Sr2LaCl7" +mp-753651,SrLa2Cl8,-5.2015596191,-2.8061231697,0.0685740527,0.0685740527,GGA,C2/m,A8B2C_mC22_12_gij_h_a:Cl-La-Sr,11.0,"Invalid WP multiplicities - A8B2C_mC22_12_g2i2j_h_a:Cl-La-Sr, expected SrLa2Cl14 to be SrLa2Cl8" +mp-755892,SrLa2Cl8,-5.1806769909,-2.7852405415,0.0894566809,0.0894566809,GGA,I-4,A8B2C_tI44_82_4g_g_ac:Cl-La-Sr,22.0,"Invalid WP multiplicities - A8B2C_tI44_82_11g_g_ac:Cl-La-Sr, expected SrLa2Cl22 to be SrLa2Cl8" +mp-23209,SrCl2,-4.69012438,-2.8946021222,0.0,-0.1360715734,GGA,Fm-3m,A2B_cF12_225_c_a:Cl-Sr,3.0,A2B_cF12_225_c_a:Cl-Sr +mp-570835,NiHg4,-1.373853304,0.025118324,0.025118324,0.025118324,GGA,Im-3m,A4B_cI10_229_c_a:Hg-Ni,5.0,A4B_cI10_229_c_a:Hg-Ni +mp-631502,CrNi2Hg,-4.9923989775,0.3868513213,0.4006903088,0.4006903088,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cr-Hg-Ni,4.0,ABC2_cF16_216_a_c_bd:Cr-Hg-Ni +mp-976935,Ni3Hg,-4.2137938562,0.197228745,0.197228745,0.197228745,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hg-Ni,8.0,AB3_hP8_194_c_h:Hg-Ni +mp-973884,Ni3Hg,-4.1898040975,0.2212185038,0.2212185038,0.2212185038,GGA,Pm-3m,AB3_cP4_221_a_c:Hg-Ni,4.0,AB3_cP4_221_a_c:Hg-Ni +mp-1183693,CrHg3,-2.27951519,0.3615069512,0.3615069512,0.3615069512,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-Hg,4.0,AB3_cP4_221_a_c:Cr-Hg +mp-1057320,NiHg,-2.822680505,0.2192280175,0.2192280175,0.2192280175,GGA,P4/mmm,AB_tP2_123_a_d:Hg-Ni,2.0,AB_tP2_123_a_d:Hg-Ni +mp-1008,NiHg,-2.823377955,0.2185305675,0.2185305675,0.2185305675,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Ni,2.0,AB_cP2_221_a_b:Hg-Ni +mp-20309,EuPb3,-5.708792795,-0.3600570425,0.0,-0.0994468275,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-Pb,4.0,AB3_cP4_221_a_c:Eu-Pb +mp-1184451,EuPbAu2,-5.6834980725,-0.554144855,0.0114256013,0.0114256013,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Pb,4.0,A2BC_cF16_225_c_a_b:Au-Eu-Pb +mp-20394,EuPb,-7.506044865,-0.52122043,0.0,-0.2811824017,GGA,P4/mmm,AB_tP2_123_a_d:Eu-Pb,2.0,AB_tP2_123_a_d:Eu-Pb +mp-2729,Sn7Os3,-6.1550043065,0.019906221,0.019906221,0.019906221,GGA,Im-3m,A3B7_cI40_229_e_df:Os-Sn,20.0,A3B7_cI40_229_e_df:Os-Sn +mp-1219021,Sn7Ir2Os,-5.894171051,-0.1970471735,0.0016294256,0.0016294256,GGA,Fmm2,A2BC7_oF80_42_cd_c_b2c2de:Ir-Os-Sn,20.0,"Invalid WP multiplicities - A2BC7_oF80_42_c2d_c_2b4c4d2e:Ir-Os-Sn, expected Sn14Ir3Os to be Sn7Ir2Os" +mp-1209264,Sn17Os4,-5.3596619004,0.0247281594,0.0247281594,0.0247281594,GGA,Pbcm,A4B17_oP84_57_2e_2c3d6e:Os-Sn,84.0,A4B17_oP84_57_2e_2c3d6e:Os-Sn +mp-571418,RbYbBr3,-3.8065469545,-2.370701486,0.0,-0.0345507765,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Rb-Yb,,"Invalid WP multiplicities - A3BC_oP20_62_2c3d_c_a:Br-Rb-Yb, expected RbYbBr8 to be RbYbBr3" +mp-22882,YbBr2,-4.0617758433,-2.5132208633,0.0,-0.770385,GGA,Pnnm,A2B_oP6_58_g_a:Br-Yb,,A2B_oP6_58_g_a:Br-Yb +mp-571232,YbBr2,-4.0609718025,-2.5124168225,0.0008040408,-0.7695809592,GGA,Pbcn,A2B_oP12_60_d_c:Br-Yb,,A2B_oP12_60_d_c:Br-Yb +mp-1190190,YbBr2,-4.0385206896,-2.4899657096,0.0232551538,-0.7471298462,GGA,Pbca,A2B_oP24_61_2c_c:Br-Yb,,A2B_oP24_61_2c_c:Br-Yb +mp-1071541,YbBr2,-4.06142665,-2.51287167,0.0003491933,-0.7700358067,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Yb,,A2B_tP6_136_f_a:Br-Yb +mp-980188,RbYb3,-1.1902182475,0.2096214806,0.2096214806,0.2096214806,GGA,I4/mmm,AB3_tI8_139_a_bd:Rb-Yb,,AB3_tI8_139_a_bd:Rb-Yb +mp-979936,RbYb3,-1.19119975,0.2086399781,0.2086399781,0.2086399781,GGA,Pm-3m,AB3_cP4_221_a_c:Rb-Yb,,AB3_cP4_221_a_c:Rb-Yb +mp-979935,RbYb3,-1.1860316125,0.2138081156,0.2138081156,0.2138081156,GGA,Fm-3m,AB3_cF16_225_a_bc:Rb-Yb,,AB3_cF16_225_a_bc:Rb-Yb +mp-1186898,RbYb,-1.036870925,0.2232002512,0.2232002512,0.2232002512,GGA,P-6m2,AB_hP2_187_a_d:Rb-Yb,,AB_hP2_187_a_d:Rb-Yb +mp-1186891,Rb3Yb,-0.96095117,0.1593514544,0.1593514544,0.1593514544,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Yb,,A3B_tI8_139_ad_b:Rb-Yb +mp-972055,Rb3Yb,-0.9524332762,0.1678693481,0.1678693481,0.1678693481,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rb-Yb,,A3B_hP8_194_h_c:Rb-Yb +mp-685068,YbBr3,-3.3539251625,-1.804251845,0.0806638025,0.0806638025,GGA,R-3,A3B_hR24_148_f_c:Br-Yb,,A3B_hR24_148_f_c:Br-Yb +mp-1187907,YbBr,-3.166322205,-1.6200039,0.2649117475,0.2649117475,GGA,P-6m2,AB_hP2_187_a_d:Br-Yb,,AB_hP2_187_a_d:Br-Yb +mp-569945,Tb2Ni17,-5.8586288608,-0.1990996103,0.0060238455,0.0060238455,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Ni-Tb,38.0,"Invalid WP multiplicities - A17B2_hP38_194_4f5g9j8k_2b2c:Ni-Tb, expected Tb4Ni125 to be Tb2Ni17" +mp-31139,TbNi,-5.6441438821,-0.4368924921,0.0006042304,-0.058436269,GGA,P2_1/m,AB_mP24_11_6e_6e:Ni-Tb,24.0,AB_mP24_11_6e_6e:Ni-Tb +mp-672240,TbNi,-5.6382090342,-0.4309576442,0.0065390783,-0.052501421,GGA,Pnma,AB_oP24_62_3c_3c:Ni-Tb,24.0,"Invalid WP multiplicities - AB_oP24_62_11c_8c:Ni-Tb, expected Tb8Ni11 to be TbNi" +mp-999130,TbNi,-5.6447481125,-0.4374967225,0.0,-0.0590404994,GGA,Cmcm,AB_oC8_63_c_c:Ni-Tb,4.0,AB_oC8_63_c_c:Ni-Tb +mp-276,TbNi2,-5.8306187517,-0.4324055983,0.0,-0.0177805408,GGA,Fd-3m,A2B_cF24_227_c_b:Ni-Tb,6.0,A2B_cF24_227_c_b:Ni-Tb +mp-1102054,TbNi3,-5.89688326,-0.403189225,0.0,-0.0044993004,GGA,R-3m,A3B_hR36_166_ach_bc:Ni-Tb,12.0,A3B_hR36_166_ach_bc:Ni-Tb +mp-1189379,Tb2Ni7,-5.9129723622,-0.3874513667,0.0,-0.0103989483,GGA,R-3m,A7B2_hR54_166_a2cdh_2c:Ni-Tb,18.0,A7B2_hR54_166_a2cdh_2c:Ni-Tb +mp-1197090,Tb2Ni7,-5.9067843797,-0.3812633842,0.0061879825,-0.0042109658,GGA,P6_3/mmc,A7B2_hP36_194_aefhk_2f:Ni-Tb,36.0,A7B2_hP36_194_aefhk_2f:Ni-Tb +mp-1079480,Tb3Ni2,-5.43876093,-0.346086598,0.0112753358,0.0112753358,GGA,C2/m,A2B3_mC20_12_2i_3i:Ni-Tb,10.0,A2B3_mC20_12_2i_3i:Ni-Tb +mp-623751,Tb3Ni,-5.1579684956,-0.2371597506,0.0,-0.0184113894,GGA,Pnma,AB3_oP16_62_c_cd:Ni-Tb,16.0,AB3_oP16_62_c_cd:Ni-Tb +mp-30808,TbNi5,-5.9139537217,-0.324778805,0.0,-0.0267945226,GGA,P6/mmm,A5B_hP6_191_cg_a:Ni-Tb,6.0,A5B_hP6_191_cg_a:Ni-Tb +mp-1077552,TbNi4Au,-5.5513310933,-0.37986529,0.0,-0.0028060575,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Ni-Tb,6.0,AB4C_cF24_216_a_e_c:Au-Ni-Tb +mp-510341,Cs3Ge4Au,-3.3302601437,-0.2737350767,0.0,-0.0910541,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-Cs-Ge,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_2b2e_2e3f:Au-Cs-Ge, expected Cs6Ge10Au to be Cs3Ge4Au" +mp-2667,CsAu,-2.39192245,-0.307280264,0.0,-0.307280264,GGA,Pm-3m,AB_cP2_221_a_b:Au-Cs,2.0,AB_cP2_221_a_b:Au-Cs +mp-1225861,Dy14Au51,-4.1905740709,-0.6296048746,0.0,-0.01015066,GGA,P-6,A51B14_hP65_174_acghj2k6l_i2j2k:Au-Dy,65.0,"Invalid WP multiplicities - A51B14_hP65_174_ac2ghj2k9l_i2j2k:Au-Dy, expected Dy14Au71 to be Dy14Au51" +mp-1103411,Dy2Au,-4.7953683908,-0.6328831642,0.0,-0.0438064408,GGA,Pnma,AB2_oP12_62_c_2c:Au-Dy,12.0,AB2_oP12_62_c_2c:Au-Dy +mp-1199277,DyAu6,-3.8739449996,-0.4096480225,0.0079470474,0.0079470474,GGA,P4_2/ncm,A6B_tP56_138_cei2j_i:Au-Dy,56.0,A6B_tP56_138_cei2j_i:Au-Dy +mp-22177,DyInAu,-4.2851914633,-0.74107394,0.0,-0.0405063639,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Dy-In,9.0,ABC_hP9_189_ad_f_g:Au-Dy-In +mp-11241,DyAu2,-4.5860189,-0.8678352867,0.0,-0.0939573542,GGA,I4/mmm,A2B_tI6_139_e_a:Au-Dy,3.0,A2B_tI6_139_e_a:Au-Dy +mp-1007918,DyAu,-4.823949505,-0.8836150850000001,0.0,-0.1332558596,GGA,Cmcm,AB_oC8_63_c_c:Au-Dy,4.0,AB_oC8_63_c_c:Au-Dy +mp-11240,DyAu,-4.805752495,-0.865418075,0.01819701,-0.1150588496,GGA,Pm-3m,AB_cP2_221_a_b:Au-Dy,2.0,AB_cP2_221_a_b:Au-Dy +mp-21866,Dy2InAu2,-4.519028603,-0.8164243210000001,0.0,-0.018333923,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Dy-In,10.0,A2B2C_tP10_127_g_h_a:Au-Dy-In +mp-1080590,DyAu3,-4.3261175662,-0.7190093562000001,0.0,-0.0194890346,GGA,Pmmn,A3B_oP8_59_ae_b:Au-Dy,8.0,A3B_oP8_59_ae_b:Au-Dy +mp-30374,DyInAu2,-4.1817541175,-0.705195475,0.0,-0.0288320642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Dy-In,4.0,A2BC_cF16_225_c_a_b:Au-Dy-In +mp-866211,Lu2CdIn,-3.53322827,-0.3541096375,0.0,-0.0094417025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Lu,4.0,ABC2_cF16_225_a_b_c:Cd-In-Lu +mp-1202860,Pr6CdFe13,-6.994833706,-0.008903705,0.0228320298,0.0228320298,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Cd-Fe-Pr,40.0,AB13C6_tI80_140_a_dk2l_fl:Cd-Fe-Pr +mp-1183630,Cd3Fe,-2.4776234625,0.33204916,0.33204916,0.33204916,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-Fe,4.0,A3B_cF16_225_ac_b:Cd-Fe +mp-1216133,Yb4ZrCo33,-6.5944171526,-0.0344008109,0.0175853546,0.0175853546,GGA,P3m1,A33B4C_hP38_156_a2b6d2e_ab2c_a:Co-Yb-Zr,,A33B4C_hP38_156_a2b6d2e_ab2c_a:Co-Yb-Zr +mp-1097611,GaCuAu2,-2.419359895,0.9994067781,1.1382093894,1.1382093894,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Ga,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Ga +mp-1204800,Dy3Ge13Os4,-6.279266308,-0.3378066902,0.0,-0.0037091927,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Os,40.0,A3B13C4_cP40_223_c_ak_e:Dy-Ge-Os +mp-1185332,LiGa3,-2.9277634925,-0.179460759,0.0227826483,0.0227826483,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-Li,4.0,A3B_tI8_139_ad_b:Ga-Li +mp-1185352,LiGa3,-2.9214975675,-0.173194834,0.0290485733,0.0290485733,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Li,8.0,A3B_hP8_194_h_c:Ga-Li +mp-863257,LiGa3,-2.941828265,-0.1935255315,0.0087178758,0.0087178758,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Li,4.0,A3B_cP4_221_c_a:Ga-Li +mp-1307,LiGa,-2.7837266825,-0.3152172379,0.0,-0.0097685052,GGA,Fd-3m,AB_cF16_227_a_b:Ga-Li,4.0,AB_cF16_227_a_b:Ga-Li +mp-567306,Li3Ga7,-2.9069707155,-0.2146266397,0.0102115336,0.0102115336,GGA,R-3m,A7B3_hR60_166_c2h_h:Ga-Li,20.0,"Invalid WP multiplicities - A7B3_hR60_166_2c11h_h:Ga-Li, expected Li3Ga35 to be Li3Ga7" +mp-976596,LiLu2Ga,-3.7949029825,-0.3001730002,0.0384525739,0.0384525739,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Lu,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Lu +mp-1222769,Li2Ga7,-2.9690816361000003,-0.1896907594,0.0,-0.0176680647,GGA,Cm,A7B2_mC36_8_6a4b_2ab:Ga-Li,18.0,A7B2_mC36_8_6a4b_2ab:Ga-Li +mp-976025,Li3Ga,-2.3940549425,-0.2053387869,0.0189244379,0.0189244379,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-Li,4.0,AB3_tI8_139_a_bd:Ga-Li +mp-976023,Li3Ga,-2.4029838025,-0.2142676469,0.0099955779,0.0099955779,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Li,4.0,AB3_cF16_225_a_bc:Ga-Li +mp-1210887,LiGa2,-2.6867263925,-0.0316880886,0.2082132622,0.2082132622,GGA,Fd-3m,A2B_cF48_227_e_c:Ga-Li,12.0,A2B_cF48_227_e_c:Ga-Li +mp-1222489,Li3Ga14,-2.9650546982,-0.1344598209,0.0161769586,0.0161769586,GGA,R3m,A14B3_hR51_160_2a4b_b:Ga-Li,17.0,A14B3_hR51_160_2a4b_b:Ga-Li +mp-9568,Li3Ga2,-2.680763758,-0.324171629,0.0,-0.0074043793,GGA,R-3m,A2B3_hR15_166_c_ac:Ga-Li,5.0,A2B3_hR15_166_c_ac:Ga-Li +mp-29210,Li2Ga,-2.5809982183,-0.2990176331,0.0,-0.0236922183,GGA,Cmcm,AB2_oC12_63_c_2c:Ga-Li,6.0,AB2_oC12_63_c_2c:Ga-Li +mp-1205930,Li5Ga4,-2.7349334856,-0.3286003274,0.0,-0.0084084278,GGA,P-3m1,A4B5_hP9_164_cd_a2d:Ga-Li,9.0,A4B5_hP9_164_cd_a2d:Ga-Li +mp-1224480,Hf3ScGa12,-4.938860835,-0.4050365559,0.0092624069,0.0092624069,GGA,P4mm,A12B3C_tP16_99_2a2b4c_a2b_a:Ga-Hf-Sc,16.0,"Invalid WP multiplicities - A12B3C_tP16_99_2a2b7c_a2b_a:Ga-Hf-Sc, expected Hf3ScGa18 to be Hf3ScGa12" +mp-1224670,Hf2ScGa3,-6.4079785817,-0.5194560429,0.0191791039,0.0191791039,GGA,Imm2,A3B2C_oI48_44_6a6b_3a5b_3ab:Ga-Hf-Sc,24.0,A3B2C_oI48_44_6a6b_3a5b_3ab:Ga-Hf-Sc +mp-1103872,HoGa6,-3.5437492336,-0.2936085186,0.0106923432,0.0106923432,GGA,P4/nbm,A6B_tP14_125_gm_c:Ga-Ho,14.0,A6B_tP14_125_gm_c:Ga-Ho +mp-1197590,Ho3Ga5,-4.2586977728,-0.6477344325000001,0.0,-0.0205447834,GGA,Pnma,A5B3_oP32_62_3cd_cd:Ga-Ho,32.0,A5B3_oP32_62_3cd_cd:Ga-Ho +mp-1196886,Ho5Ga3,-4.4907664759,-0.4912249237,0.016098682,0.016098682,GGA,P4/ncc,A3B5_tP32_130_cf_cg:Ga-Ho,32.0,A3B5_tP32_130_cf_cg:Ga-Ho +mp-570816,Ho5Ga3,-4.4728905725,-0.4733490203,0.0339745855,0.0339745855,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Ga-Ho,16.0,"Invalid WP multiplicities - A3B5_hP16_193_g_3d3g:Ga-Ho, expected Ho5Ga to be Ho5Ga3" +mp-973850,HoGa3,-3.9368215825,-0.5201473481000001,0.01237916,-0.0391174878,GGA,R-3m,A3B_hR60_166_d2h_b2c:Ga-Ho,20.0,A3B_hR60_166_d2h_b2c:Ga-Ho +mp-982557,HoGa3,-3.9356599063,-0.5189856719,0.0135408362,-0.0379558116,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ga-Ho,8.0,A3B_hP8_194_h_c:Ga-Ho +mp-570953,HoGa3,-3.9361394417,-0.5194652073,0.0130613008,-0.038435347,GGA,P6_3/mmc,A3B_hP24_194_hk_bf:Ga-Ho,24.0,A3B_hP24_194_hk_bf:Ga-Ho +mp-1188285,HoGa3,-3.9408169331,-0.5241426987,0.0083838094,-0.0431128384,GGA,P6_3/mmc,A3B_hP16_194_gh_ac:Ga-Ho,16.0,A3B_hP16_194_gh_ac:Ga-Ho +mp-2688,HoGa3,-3.9492007425,-0.5325265081,0.0,-0.0514966478,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Ho,4.0,A3B_cP4_221_c_a:Ga-Ho +mp-1018073,HoGa,-4.4336049975,-0.6283525512,0.0,-0.0398343704,GGA,Cmcm,AB_oC8_63_c_c:Ga-Ho,4.0,AB_oC8_63_c_c:Ga-Ho +mp-1256,HoGa2,-4.17300232,-0.626802015,0.0,-0.017470224,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-Ho,3.0,A2B_hP3_191_c_b:Ga-Ho +mp-1212420,Ho2(Ga3Ir)3,-5.1611748075,-0.6659616302,0.0,-0.1111613986,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Ir,28.0,A9B2C3_oC56_63_cfgh_g_ae:Ga-Ho-Ir +mp-1197194,Ho3Ga2,-4.5018289105,-0.5411451795000001,0.0,-0.0224947303,GGA,I4/mcm,A2B3_tI80_140_achl_ghm:Ga-Ho,40.0,A2B3_tI80_140_achl_ghm:Ga-Ho +mp-1184660,Ho3Ga,-4.4337416475,-0.2399109894,0.0983047478,0.0983047478,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Ho,4.0,AB3_cP4_221_a_c:Ga-Ho +mp-1104277,Ho3Ga8Ir3,-5.2607239286,-0.654488405,0.0324923737,0.0324923737,GGA,Immm,A8B3C3_oI28_71_2n_ag_bf:Ga-Ho-Ir,14.0,A8B3C3_oI28_71_2n_ag_bf:Ga-Ho-Ir +mp-1208550,TaPd,-7.83400854,0.68482118,1.0493261325,1.032101325,GGA,P4/mmm,AB_tP4_123_g_g:Pd-Ta,4.0,AB_tP4_123_g_g:Pd-Ta +mp-999133,TaPd,-8.8833346725,-0.3645049525,0.0,-0.0172248075,GGA,P4/nmm,AB_tP4_129_c_c:Pd-Ta,4.0,AB_tP4_129_c_c:Pd-Ta +mp-1217896,TaPd,-8.66362375,-0.14479403,0.2197109225,0.202486115,GGA,R-3m,AB_hR6_166_a_b:Pd-Ta,2.0,AB_hR6_166_a_b:Pd-Ta +mp-30835,TaPd2,-7.8688872767,-0.4630401933,0.0,-0.0184605675,GGA,Immm,A2B_oI6_71_e_a:Pd-Ta,3.0,A2B_oI6_71_e_a:Pd-Ta +mp-510426,Ta4Te16Pd3,-5.5562405678,-0.6317340355000001,5.10565e-05,5.10565e-05,GGA,C2/m,A3B4C16_mC46_12_ai_2i_8i:Pd-Ta-Te,23.0,A3B4C16_mC46_12_ai_2i_8i:Pd-Ta-Te +mp-30836,TaPd3,-7.3339727275,-0.4846169625,0.0,-0.1373368175,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-Ta,4.0,A3B_tI8_139_ad_b:Pd-Ta +mp-582360,TaPd3,-7.2651232295,-0.4157674645,0.068849498,-0.0684873195,GGA,P6_3/mmc,A3B_hP40_194_h2k_b2f:Pd-Ta,40.0,"Invalid WP multiplicities - A3B_hP40_194_4h17k_2b5f:Pd-Ta, expected Ta2Pd19 to be TaPd3" +mp-505132,Ta3Te14Pd3,-5.3858914025,-0.6299283612000001,0.0,-0.0031055076,GGA,P2_1/m,A3B3C14_mP40_11_3e_3e_14e:Pd-Ta-Te,40.0,A3B3C14_mP40_11_3e_3e_14e:Pd-Ta-Te +mp-28934,Ta2Te5Pd3,-5.9184475995,-0.4212745838,0.1733531287,0.1733531287,GGA,Pnma,A3B2C5_oP40_62_3c_2c_5c:Pd-Ta-Te,40.0,"Invalid WP multiplicities - A3B2C5_oP40_62_4c_2c_7c:Pd-Ta-Te, expected Ta2Te7Pd4 to be Ta2Te5Pd3" +mp-1187223,Ta3Pd,-10.2246685825,-0.0363649075,0.1458875688,0.1458875688,GGA,I4/mmm,AB3_tI8_139_a_bd:Pd-Ta,4.0,AB3_tI8_139_a_bd:Pd-Ta +mp-977362,ZnGaRh2,-5.3701308325,-0.6160169894,0.0,-0.083851415,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Zn +mp-1217290,Th4AlGe,-6.7360644317,-0.3987249842,0.0054406458,0.0054406458,GGA,I422,ABC4_tI12_97_a_b_j:Al-Ge-Th,6.0,ABC4_tI12_97_a_b_j:Al-Ge-Th +mp-1079890,Al2CuIr,-5.77954618,-0.6723480525000001,0.0,-0.0662813266,GGA,Cmme,A2BC_oC16_67_ag_b_g:Al-Cu-Ir,8.0,A2BC_oC16_67_ag_b_g:Al-Cu-Ir +mp-1093789,Al2CuIr,-3.1301576375,1.97704049,2.6493885425,2.5831072159,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Ir,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Ir +mp-1187803,YbZnRh2,-4.8963205225,-0.514328615,0.0289407447,0.0289407447,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Yb-Zn,,A2BC_cF16_225_c_a_b:Rh-Yb-Zn +mp-1210037,Yb2Zn25Rh,-0.3291379011,1.1686161946,1.3824207095,1.3824207095,GGA,Fd-3m,AB2C25_cF224_227_b_c_a2g:Rh-Yb-Zn,,AB2C25_cF224_227_b_c_a2g:Rh-Yb-Zn +mp-1207475,YbZnRh,-3.9905351242,-0.6026485375,0.0,-0.1181399535,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Yb-Zn,,ABC_oP12_62_c_c_c:Rh-Yb-Zn +mp-977423,Yb2ZnRh,-3.39972844,-0.47391143,0.0,-0.00733808,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Rh-Yb-Zn,,AB2C_cF16_225_a_c_b:Rh-Yb-Zn +mp-1184934,In3Si,-3.1079609038,0.3121314012,0.3121314012,0.3121314012,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-Si,8.0,A3B_hP8_194_h_c:In-Si +mp-1184853,In3Si,-3.107196175,0.31289613,0.31289613,0.31289613,GGA,Pm-3m,A3B_cP4_221_c_a:In-Si,4.0,A3B_cP4_221_c_a:In-Si +mp-631467,BeInSi2,-3.5887599925,0.7466731713,0.7466731713,0.7466731713,GGA,F-43m,ABC2_cF16_216_a_c_bd:Be-In-Si,4.0,ABC2_cF16_216_a_c_bd:Be-In-Si +mp-984776,BeIn3,-2.5431070225,0.4555089912,0.4555089912,0.4555089912,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-In,4.0,AB3_tI8_139_a_bd:Be-In +mp-1078524,ErZnNi,-4.3468932433,-0.4776935433,0.0,-0.0425202083,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Ni-Zn,9.0,ABC_hP9_189_f_ad_g:Er-Ni-Zn +mp-977283,MgRe3,-9.4683215925,0.2651438088,0.2687488672,0.2687488672,GGA,Fm-3m,AB3_cF16_225_a_bc:Mg-Re,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Mg-Re, expected MgRe5 to be MgRe3" +mp-1185583,Mg149Re,-1.6868991297,-0.0143240988,0.0,-0.0143240988,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Re,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Re, expected Mg315Re to be Mg149Re" +mp-1185701,Mg16Al12Re,-2.8485456172,0.0133825878,0.0925586975,0.0925586975,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Re,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Re, expected Mg49Al39Re to be Mg16Al12Re" +mp-1185794,Mg3Re,-3.8989432375,0.4123985963,0.4232137715,0.4232137715,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-Re,8.0,A3B_hP8_194_h_c:Mg-Re +mp-978303,Mg3Re,-3.89920631,0.4121355238,0.422950699,0.422950699,GGA,Pm-3m,A3B_cP4_221_c_a:Mg-Re,4.0,A3B_cP4_221_c_a:Mg-Re +mp-1183614,CaCeZn2,-2.8431982125,-0.2286541488,0.0070031411,0.0070031411,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ce-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Ce-Zn +mp-1096251,ZrZn2Pd,-2.009044805,2.05272261,2.5195632531000003,2.5195632531000003,GGA,Immm,AB2C_oI8_71_a_e_b:Pd-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Pd-Zn-Zr +mp-1096064,ZrZnPd2,-3.344097555,1.69770441,2.34162501,2.3405213579,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Zn-Zr,4.0,A2BC_oI8_71_e_a_b:Pd-Zn-Zr +mp-1100780,ZrZnPd2,-5.685722565,-0.6439206,0.0,-0.0011036521,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Zn-Zr,4.0,A2BC_cF16_225_c_a_b:Pd-Zn-Zr +mp-1229168,Al27(FeNi2)2,-4.5670303856,-0.2885110962,0.0,-0.0080254156,GGA,P1,A27B2C4_aP66_1_54a_4a_8a:Al-Fe-Ni,66.0,A27B2C4_aP66_1_54a_4a_8a:Al-Fe-Ni +mp-1228374,Al5FeNi,-5.0928032171,-0.3816550686,0.0377989498,0.0377989498,GGA,Amm2,A5BC_oC56_38_ab3cde2f_abd_abe:Al-Fe-Ni,28.0,"Invalid WP multiplicities - A5BC_oC56_38_ab5cde4f_abd_abe:Al-Fe-Ni, expected Al8FeNi to be Al5FeNi" +mp-1228910,Al2FeNi,-5.9589440825,-0.5236166950000001,0.0,-0.03075319,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Fe-Ni,4.0,A2BC_tP4_123_h_a_b:Al-Fe-Ni +mp-867330,Al2FeNi,-5.9345360775,-0.49920869,0.024408005,-0.006345185,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Fe-Ni,4.0,A2BC_cF16_225_c_a_b:Al-Fe-Ni +mp-31186,AlFe2Ni,-6.710788775,-0.0943500425,0.235069955,0.235069955,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Ni,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Ni +mp-1221697,Mn3Si,-8.435745265,-0.2079042884,0.1063708075,0.0187312656,GGA,P4/mmm,A3B_tP4_123_ah_b:Mn-Si,4.0,A3B_tP4_123_ah_b:Mn-Si +mp-20211,Mn3Si,-8.5421160725,-0.3142750959,0.0,-0.0876395419,GGA,Fm-3m,A3B_cF16_225_ac_b:Mn-Si,4.0,A3B_cF16_225_ac_b:Mn-Si +mp-650285,Mn14Si23,-6.6440890297,0.1951144508,0.5878311982000001,0.5878311982000001,GGA,Pnnm,A14B23_oP74_58_7g_a5g3h:Mn-Si,74.0,"Invalid WP multiplicities - A14B23_oP74_58_27g_2a20g20h:Mn-Si, expected Mn27Si61 to be Mn14Si23" +mp-999576,Mn2SiRu,-8.6488213725,-0.392883584,0.0,-0.0010197,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Ru-Si,4.0,A2BC_cF16_216_ac_b_d:Mn-Ru-Si +mp-568121,Mn4Si7,-7.1717231143,-0.3876060799,6.969390000000001e-05,-0.0064250833,GGA,Pcca,A4B7_oP44_54_2d2e_c3f:Mn-Si,44.0,"Invalid WP multiplicities - A4B7_oP44_54_6d6e_3c18f:Mn-Si, expected Mn4Si13 to be Mn4Si7" +mp-680339,Mn4Si7,-7.1717928082,-0.3876757738,0.0,-0.0064947772,GGA,P-4c2,A4B7_tP44_116_ach2i_e3j:Mn-Si,44.0,"Invalid WP multiplicities - A4B7_tP44_116_2a2c4h7i_3e20j:Mn-Si, expected Mn13Si43 to be Mn4Si7" +mp-567968,Mn11Si19,-7.1770561887,-0.3816158292,0.0070961447,0.0070961447,GGA,P-4n2,A11B19_tP120_118_ac5e5h_f9i:Mn-Si,120.0,"Invalid WP multiplicities - A11B19_tP120_118_2a2c20e20h_4f61i:Mn-Si, expected MnSi3 to be Mn11Si19" +mp-1103939,Mn6Si7,-7.0226544377,0.1272930979,0.5484461071,0.5484461071,GGA,R-3m,A6B7_hR39_166_3c_ah:Mn-Si,13.0,A6B7_hR39_166_3c_ah:Mn-Si +mp-864966,MnSiRu2,-8.7534872725,-0.469452672,0.0,-0.1196098622,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Mn-Ru-Si +mp-752,Mn15Si26,-7.1759076651,-0.383505271,0.0049286981,0.0049286981,GGA,I-42d,A15B26_tI164_122_a7c_d6e:Mn-Si,82.0,"Invalid WP multiplicities - A15B26_tI164_122_a7c_d7e:Mn-Si, expected MnSi2 to be Mn15Si26" +mp-1188480,Mn5Si3,-7.6080275594,0.1527262594,0.5270161975000001,0.5270161975000001,GGA,Pmma,A5B3_oP16_51_egk_ek:Mn-Si,16.0,A5B3_oP16_51_egk_ek:Mn-Si +mp-1111,Mn5Si3,-8.0826411625,-0.3218873437,0.0524025944,0.0524025944,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Mn-Si,16.0,A5B3_hP16_193_dg_g:Mn-Si +mp-608655,Mn5Si2,-8.3533995646,-0.2590120617,0.072410132,0.072410132,GGA,P4_12_12,A5B2_tP56_92_2a4b_2b:Mn-Si,56.0,"Invalid WP multiplicities - A5B2_tP56_92_8a26b_8b:Mn-Si, expected Mn15Si4 to be Mn5Si2" +mp-1198479,Mn5Si2,-8.2601675118,-0.1657800089,0.1656421848,0.1656421848,GGA,P4_12_12,A5B2_tP56_92_2a4b_2b:Mn-Si,56.0,A5B2_tP56_92_2a4b_2b:Mn-Si +mp-1378817,Mn5Si2,-8.353219318,-0.2588318151,0.0725903786,0.0725903786,GGA,P4_32_12,A5B2_tP56_96_2a4b_2b:Mn-Si,56.0,A5B2_tP56_96_2a4b_2b:Mn-Si +mp-1431,MnSi,-7.7279714413,-0.4343047802,0.0,-0.072535128,GGA,P2_13,AB_cP8_198_a_a:Mn-Si,8.0,AB_cP8_198_a_a:Mn-Si +mp-631388,CdIrRu,-5.7022592367,0.6429829233000001,0.6965686667000001,0.6965686667000001,GGA,F-43m,ABC_cF12_216_a_b_c:Cd-Ir-Ru,3.0,ABC_cF12_216_a_b_c:Cd-Ir-Ru +mp-1199295,Cd41Ir8,-2.2738324112,-0.0586088684,0.0,-0.0586088684,GGA,R-3,A41B8_hR147_148_abd6f_cf:Cd-Ir,49.0,A41B8_hR147_148_abd6f_cf:Cd-Ir +mp-1183645,Cd3Ir,-2.81008393,0.091691935,0.1442254938,0.1442254938,GGA,I4/mmm,A3B_tI8_139_ad_b:Cd-Ir,4.0,A3B_tI8_139_ad_b:Cd-Ir +mp-1183626,Cd3Ir,-2.8108388325,0.0909370325,0.1434705913,0.1434705913,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-Ir,4.0,A3B_cP4_221_c_a:Cd-Ir +mp-867289,LiHo2Tc,-5.409020065,-0.0504251771,0.026427416,0.026427416,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Li-Tc,4.0,A2BC_cF16_225_c_a_b:Ho-Li-Tc +mp-1185197,Li3Ho,-2.3644879563,0.2128064112,0.2128064112,0.2128064112,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Li,8.0,AB3_hP8_194_c_h:Ho-Li +mp-973741,LiHo3,-3.7159333175,0.1981040517,0.1981040517,0.1981040517,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Li,4.0,A3B_tI8_139_ad_b:Ho-Li +mp-1185384,LiHo3,-3.7272026113,0.1868347579,0.1868347579,0.1868347579,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Li,8.0,A3B_hP8_194_h_c:Ho-Li +mp-973732,LiHo3,-3.71383622,0.2002011492,0.2002011492,0.2002011492,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Li,4.0,A3B_cP4_221_c_a:Ho-Li +mp-863667,Er2TlAg,-3.923095105,-0.3404359125,0.0,-0.0135045025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Er-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Er-Tl +mp-1225471,DyAgPb,-3.9036149467,-0.1862849756,0.2169030717,0.1574441357,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-Dy-Pb,6.0,ABC_hP6_164_d_c_d:Ag-Dy-Pb +mp-510687,DyAgPb,-4.1205180183,-0.4031880472,0.0,-0.0594589359,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Dy-Pb,6.0,ABC_hP6_186_b_a_b:Ag-Dy-Pb +mp-1213816,CrAsRu,-7.967959685,-0.1057702133,0.0927920492,0.0927920492,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cr-Ru,12.0,ABC_oP12_62_c_c_c:As-Cr-Ru +mp-1186455,PaInPd2,-6.20213588,-0.5456078775000001,0.0087467308,0.0087467308,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pa-Pd,4.0,ABC2_cF16_225_a_b_c:In-Pa-Pd +mp-862854,PaPd3,-7.0370952075,-0.7735176850000001,0.0,-0.7735176850000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Pd,8.0,AB3_hP8_194_c_h:Pa-Pd +mp-11548,YbTlPd,-3.6899807789,-0.6626030333,0.0,-0.0795883414,GGA,P-62m,ABC_hP9_189_ad_g_f:Pd-Tl-Yb,,ABC_hP9_189_ad_g_f:Pd-Tl-Yb +mp-865999,YbTlPd2,-4.1922018325,-0.6266980708000001,0.0,-0.0298675896,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Tl-Yb,,A2BC_cF16_225_c_a_b:Pd-Tl-Yb +mp-1184838,HoLuIn2,-4.0664742050000005,-0.4147924925,0.0,-0.0038706031,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Lu,4.0,AB2C_cF16_225_a_c_b:Ho-In-Lu +mp-13303,ErSnAu,-4.746534835,-0.7961439467,0.048157445,-0.0761587258,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Er-Sn,6.0,ABC_hP6_186_b_a_b:Au-Er-Sn +mp-5640,ErSnAu,-4.79469228,-0.8443013917000001,0.0,-0.1243161708,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Er-Sn,3.0,ABC_cF12_216_c_a_b:Au-Er-Sn +mp-31143,Er2SnAu2,-4.7776394075,-0.8390847125,0.0273652315,0.0273652315,GGA,P4_2/mnm,A2B2C_tP20_136_j_fg_d:Au-Er-Sn,20.0,A2B2C_tP20_136_j_fg_d:Au-Er-Sn +mp-1184473,Eu2TlIn,-6.83091917,-0.4238365508,0.0,-0.0657516583,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-In-Tl,4.0,A2BC_cF16_225_c_a_b:Eu-In-Tl +mp-1212895,Er12In3Fe2,-4.9225582612,-0.21622183,0.0,-0.0134161229,GGA,I4/mmm,A12B2C3_tI34_139_hn_e_ac:Er-Fe-In,17.0,A12B2C3_tI34_139_hn_e_ac:Er-Fe-In +mp-1079644,Tm2CdGe2,-4.503995657,-0.6798723937000001,0.0,-0.008774989,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ge-Tm,10.0,AB2C2_tP10_127_a_g_h:Cd-Ge-Tm +mp-862764,LiCa2Rh,-3.5578352425,-0.2367276183,0.0,-0.0192108994,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Li-Rh,4.0,A2BC_cF16_225_c_a_b:Ca-Li-Rh +mp-961723,LiCaRh,-3.68001934,0.0795908656,0.3218233204,0.3218233204,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Li-Rh,3.0,ABC_cF12_216_a_c_b:Ca-Li-Rh +mp-1207238,Tm2CdPd2,-4.8727924080000005,-0.8259275627,0.0,-0.048595631,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Pd-Tm,10.0,AB2C2_tP10_127_a_g_h:Cd-Pd-Tm +mp-1208067,Tm4CdPd,-4.4670791783,-0.4660603011,0.0,-0.0450778572,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pd-Tm,24.0,ABC4_cF96_216_e_e_efg:Cd-Pd-Tm +mp-865982,TmCdPd2,-4.7041671350000005,-0.7645449342,0.0,-0.0299991144,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Tm +mp-863760,CsAcTe2,-4.213562425,-1.3877651334,0.0,-0.3618830034,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Cs-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Cs-Te +mp-1185566,Cs3Ac,-1.1750356475,0.5268098834,0.5268098834,0.5268098834,GGA,Pm-3m,AB3_cP4_221_a_c:Ac-Cs,4.0,AB3_cP4_221_a_c:Ac-Cs +mp-1232419,Cs3Ac,-1.1659209375,0.5359245934,0.5359245934,0.5359245934,GGA,Fm-3m,AB3_cF16_225_a_bc:Ac-Cs,4.0,AB3_cF16_225_a_bc:Ac-Cs +mp-1183957,CsAc3,-2.8852249788,0.4295068699,0.4295068699,0.4295068699,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Cs,8.0,A3B_hP8_194_h_c:Ac-Cs +mp-1183927,CsAc3,-2.8980269400000003,0.4167049086,0.4167049086,0.4167049086,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Cs,4.0,A3B_cP4_221_c_a:Ac-Cs +mp-1183947,CsAc,-2.0266473825,0.4816413073,0.4816413073,0.4816413073,GGA,P6_3mc,AB_hP4_186_b_b:Ac-Cs,4.0,AB_hP4_186_b_b:Ac-Cs +mp-1187374,SrAcIn2,-3.2410189125,-0.4125099323,0.0,-0.0579604888,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-In-Sr,4.0,AB2C_cF16_225_a_c_b:Ac-In-Sr +mp-1184452,EuHo3,-5.86195327,0.1391038325,0.1391038325,0.1391038325,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Ho,4.0,AB3_tI8_139_a_bd:Eu-Ho +mp-1193885,Eu(HoSe2)2,-6.9726240854,-2.2004147353,0.0,-0.0050243732,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Ho-Se,28.0,AB2C4_oP28_62_c_2c_4c:Eu-Ho-Se +mp-1184407,Eu3Ho,-8.755632355,0.0827212125,0.0827212125,0.0827212125,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Ho,8.0,A3B_hP8_194_h_c:Eu-Ho +mp-1104233,Ce2Te5,-5.6900786429,-1.7496918176,0.0,-0.349754514,GGA,Cmcm,A2B5_oC28_63_2c_5c:Ce-Te,14.0,A2B5_oC28_63_2c_5c:Ce-Te +mp-1206755,CeTl,-4.404270145,-0.2564039942,0.0,-0.06918227,GGA,P4/mmm,AB_tP2_123_a_d:Ce-Tl,2.0,AB_tP2_123_a_d:Ce-Tl +mp-1206752,CeTl,-4.360123645,-0.2122574942,0.0441465,-0.02503577,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Tl,2.0,AB_cP2_221_a_b:Ce-Tl +mp-645273,Ce10Te19,-5.6321693222,-1.5268692007,0.1797916864,0.1797916864,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Ce-Te,58.0,"Invalid WP multiplicities - A10B19_tP58_86_3e6g_2a3e25g:Ce-Te, expected Ce5Te18 to be Ce10Te19" +mp-1079792,CeTlTe2,-4.6753122963,-1.0297262742,0.2565447352,0.2565447352,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Ce-Te-Tl,8.0,AB2C_tI16_140_b_h_a:Ce-Te-Tl +mp-20603,CeTl3,-3.494881055,-0.2396264062,0.0,-0.1114244092,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Tl,4.0,AB3_cP4_221_a_c:Ce-Tl +mp-21412,Ce3Tl,-5.175294695,-0.1348170421,0.0,-0.006615045,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Tl,4.0,A3B_cP4_221_c_a:Ce-Tl +mp-1008752,CeTe,-5.993650725,-1.4554532008,0.11834282,-0.0154653488,GGA,Pm-3m,AB_cP2_221_a_b:Ce-Te,2.0,AB_cP2_221_a_b:Ce-Te +mp-1525,CeTe,-6.111993545,-1.5737960208,0.0,-0.1338081688,GGA,Fm-3m,AB_cF8_225_a_b:Ce-Te,2.0,AB_cF8_225_a_b:Ce-Te +mp-1106203,Ce(Tl3Te2)3,-3.5193347044000003,-0.6407901522,0.0312818832,0.0312818832,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Ce-Te-Tl,16.0,AB6C9_tI32_87_a_eh_bi:Ce-Te-Tl +mp-22422,Ce3Te4,-5.9846276936,-1.6457004024000002,0.0,-0.0132724493,GGA,I-43d,A3B4_cI28_220_a_c:Ce-Te,14.0,A3B4_cI28_220_a_c:Ce-Te +mp-1188216,Ce2Te3,-5.902224128,-1.64300493,0.0234937554,0.0234937554,GGA,Pnma,A2B3_oP20_62_2c_3c:Ce-Te,20.0,A2B3_oP20_62_2c_3c:Ce-Te +mp-32838,Ce2Te3,-5.8856517658000005,-1.6264325678,0.0400661177,0.0400661177,GGA,I-42d,A2B3_tI80_122_cde_3e:Ce-Te,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_16e:Ce-Te, expected Ce17Te32 to be Ce2Te3" +mp-571571,CeTe3,-5.1640009912,-1.3232492825,0.2077310579,0.2077310579,GGA,Cmcm,AB3_oC16_63_c_3c:Ce-Te,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_6c:Ce-Te, expected CeTe6 to be CeTe3" +mp-505536,CeTe2,-5.5721838167,-1.4989501694,0.2160778431,0.2160778431,GGA,P4/nmm,AB2_tP6_129_c_ac:Ce-Te,6.0,"Invalid WP multiplicities - AB2_tP6_129_c_2a2c:Ce-Te, expected CeTe4 to be CeTe2" +mp-1093669,Zr2FePt,-5.163672465,2.7454664825,3.393036366,3.393036366,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Pt-Zr,4.0,ABC2_oI8_71_a_b_e:Fe-Pt-Zr +mp-1196422,Sr3Sn13Ir4,-5.0767841467,-0.449451587,0.0,-0.0430587552,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Ir-Sn-Sr,40.0,A4B13C3_cP40_223_e_ak_c:Ir-Sn-Sr +mp-22418,Sr3(SnIr)4,-5.64508558,-0.5123124436000001,0.0,-0.0987142965,GGA,I-43m,A4B4C3_cI22_217_c_c_b:Ir-Sn-Sr,11.0,A4B4C3_cI22_217_c_c_b:Ir-Sn-Sr +mp-1187355,TbMgTl2,-2.95606045,-0.2160773392,0.0395536564,0.0395536564,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tb-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Tb-Tl +mp-1704,Tb2Tl,-4.14042128,-0.2632961644,0.0117159944,0.0117159944,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Tb-Tl,6.0,A2B_hP6_194_ac_d:Tb-Tl +mp-1189902,Tb3Tl5,-3.5141479244,-0.2996086702,0.0,-0.0010973056,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Tb-Tl,16.0,A3B5_oC32_63_ce_cfg:Tb-Tl +mp-1886,TbTl3,-3.1809327275,-0.2503588425,0.0,-0.050619729,GGA,Pm-3m,AB3_cP4_221_a_c:Tb-Tl,4.0,AB3_cP4_221_a_c:Tb-Tl +mp-1105771,Tb5Tl3,-4.0636558744,-0.2811858819,0.0282027969,0.0029522131,GGA,I4/mcm,A5B3_tI32_140_cl_ah:Tb-Tl,16.0,A5B3_tI32_140_cl_ah:Tb-Tl +mp-1188772,Tb5Tl3,-4.0918586712,-0.3093886787,0.0,-0.0252505838,GGA,I4/mcm,A5B3_tI32_140_bk_ah:Tb-Tl,16.0,A5B3_tI32_140_bk_ah:Tb-Tl +mp-30879,Tb5Tl3,-4.0827504944,-0.3002805019,0.0091081769,-0.0161424069,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Tb-Tl,16.0,A5B3_hP16_193_dg_g:Tb-Tl +mp-1206540,TbMgTl,-3.1979531478,-0.3321900489,0.0,-0.0924909384,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Tb-Tl,9.0,ABC_hP9_189_f_g_bc:Mg-Tb-Tl +mp-30878,TbTl,-3.84516851,-0.3466638867,0.0,-0.0421652122,GGA,Pm-3m,AB_cP2_221_a_b:Tb-Tl,2.0,AB_cP2_221_a_b:Tb-Tl +mp-5351,Tb(GePd)2,-5.655944962,-0.807907876,0.0,-0.031886875,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Tb,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-Tb +mp-31436,TbGe2Pd,-5.5390494956000005,-0.7739735906,0.0,-0.0277374963,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pd-Tb,16.0,"Invalid WP multiplicities - A2BC_oI32_71_e2fm_m_ei:Ge-Pd-Tb, expected Tb2Ge5Pd2 to be TbGe2Pd" +mp-1206008,Tb2Ge6Pd,-5.2045478356,-0.5171277089,0.0413438175,0.0413438175,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Tb,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Tb +mp-1217526,TbGePd,-5.718028,-0.905602745,0.080321805,-0.0063438913,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Tb,6.0,ABC_mC12_12_i_i_i:Ge-Pd-Tb +mp-1189420,TbGePd,-5.798349805,-0.98592455,0.0,-0.0866656963,GGA,Imm2,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Tb,18.0,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Tb +mp-1208316,TbGePd2,-5.8156278794,-0.9113384856,0.0,-0.0335781056,GGA,Pnma,AB2C_oP16_62_c_d_c:Ge-Pd-Tb,16.0,AB2C_oP16_62_c_d_c:Ge-Pd-Tb +mp-1215715,Zr10(GaSb)3,-7.3583673906,-0.6740987602,0.0,-0.0256488063,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Ga-Sb-Zr,16.0,A3B3C10_hP16_189_f_g_fgh:Ga-Sb-Zr +mp-867923,ScGaPt2,-6.33123275,-0.9555248081,0.0218432956,0.0218432956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Pt-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Pt-Sc +mp-972869,Sc2GaPt,-6.3508573475,-0.9098154594,0.0051265925,0.0051265925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Pt-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Pt-Sc +mp-1102184,ScGaPt,-6.1953287267,-1.0514292442,0.0,-0.147102502,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Sc,12.0,ABC_oP12_62_c_c_c:Ga-Pt-Sc +mp-1096385,Na2HgTe,-1.4750626125,0.0479465988,0.8501522613,0.8501522613,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Na-Te,4.0,AB2C_oI8_71_a_e_b:Hg-Na-Te +mp-1507,HgTe,-1.9338947375,-0.2104016083,0.1690585075,-0.2104016083,GGA,Cmcm,AB_oC8_63_c_c:Hg-Te,4.0,AB_oC8_63_c_c:Hg-Te +mp-1223902,HgTe,-1.916717125,-0.1932239958,0.18623612,-0.1932239958,GGA,I-4m2,AB_tI4_119_a_c:Hg-Te,2.0,AB_tI4_119_a_c:Hg-Te +mp-358,HgTe,-2.0384402217,-0.3149470925,0.0645130233,-0.3149470925,GGA,P3_121,AB_hP6_152_a_b:Hg-Te,6.0,AB_hP6_152_a_b:Hg-Te +mp-1071269,HgTe,-2.0360860667,-0.3125929375,0.0668671783,-0.3125929375,GGA,P3_221,AB_hP6_154_a_b:Hg-Te,6.0,AB_hP6_154_a_b:Hg-Te +mp-2730,HgTe,-2.102953245,-0.3794601158,0.0,-0.3794601158,GGA,F-43m,AB_cF8_216_a_c:Hg-Te,2.0,AB_cF8_216_a_c:Hg-Te +mp-13141,HgTe,-1.68095515,0.0425379792,0.421998095,0.0425379792,GGA,Pm-3m,AB_cP2_221_a_b:Hg-Te,2.0,AB_cP2_221_a_b:Hg-Te +mp-1811,HgTe,-1.95328192,-0.2297887908,0.149671325,-0.2297887908,GGA,Fm-3m,AB_cF8_225_a_b:Hg-Te,2.0,AB_cF8_225_a_b:Hg-Te +mp-1194002,Zr6Ga16Pt7,-5.5733933007,-0.6687838738,0.0503112285,0.0503112285,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Pt-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Pt-Zr +mp-1080495,ZrGaPt,-6.8486935344,-0.9663835436,0.0089406928,-0.1342452144,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Pt-Zr,9.0,ABC_hP9_189_f_bc_g:Ga-Pt-Zr +mp-601253,ZrGaPt,-6.8576342272,-0.9753242364,0.0,-0.1431859072,GGA,P-62c,ABC_hP18_190_g_bf_h:Ga-Pt-Zr,18.0,"Invalid WP multiplicities - ABC_hP18_190_g_2b2f_h:Ga-Pt-Zr, expected ZrGaPt2 to be ZrGaPt" +mp-27452,Al2PdCl8,-4.1729773218,-1.67667489,0.0,-0.0042118741,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Al-Cl-Pd,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Al-Cl-Pd, expected Al2PdCl10 to be Al2PdCl8" +mp-862781,AlCrRu2,-8.34354125,-0.356684155,0.0,-0.01994868,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cr-Ru,4.0,ABC2_cF16_225_a_b_c:Al-Cr-Ru +mp-867854,Ca2ZnRh,-3.44762114,-0.28880833,0.0211750503,0.0211750503,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Rh-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Rh-Zn +mp-980198,TmLuZn2,-3.237710215,-0.3586419242,0.000785755,0.000785755,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Tm-Zn +mp-1208220,Ti5Sn3Au,-6.4556397956,-0.3689667235,0.0116663343,0.0116663343,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Au-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Au-Sn-Ti +mp-1217637,Tb4Si7,-5.6866523955,-0.5489532491,0.0334987709,0.0334987709,GGA,Pm,A7B4_mP11_6_3a4b_2a2b:Si-Tb,11.0,A7B4_mP11_6_3a4b_2a2b:Si-Tb +mp-1217739,Tb4Si7,-5.6967697118,-0.5590705655,0.0233814545,0.0233814545,GGA,C2/m,A7B4_mC44_12_3i2j_2ij:Si-Tb,22.0,"Invalid WP multiplicities - A7B4_mC44_12_3i4j_2i2j:Si-Tb, expected Tb6Si11 to be Tb4Si7" +mp-1200515,Tb5Si4,-5.6918056508,-0.7059053597,0.0182139267,0.0182139267,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Si-Tb,36.0,A4B5_oP36_62_2cd_c2d:Si-Tb +mp-972310,Tb3Si,-5.0631551388,-0.2310510563,0.1975559379,0.1975559379,GGA,P6_3/mmc,AB3_hP8_194_c_h:Si-Tb,8.0,AB3_hP8_194_c_h:Si-Tb +mp-1924,TbSi,-5.8189283875,-0.7890863225,0.0,-0.1064695834,GGA,Pnma,AB_oP8_62_c_c:Si-Tb,8.0,AB_oP8_62_c_c:Si-Tb +mp-1190079,Tb2Si4Mo3,-7.6886024189,-0.6322741244,0.0,-0.0678960306,GGA,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Mo-Si-Tb,18.0,A3B4C2_mP18_14_ae_2e_e:Mo-Si-Tb +mp-206,Tb5Si3,-5.573883565,-0.6429104913,0.0,-0.047302844,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Tb,16.0,A3B5_hP16_193_g_dg:Si-Tb +mp-1217678,Tb2Si3,-5.69072352,-0.581786262,0.05891096,0.049482796,GGA,Imm2,A3B2_oI10_44_2ab_ab:Si-Tb,5.0,A3B2_oI10_44_2ab_ab:Si-Tb +mp-9095,Tb2Si3,-5.371424376,-0.262487118,0.378210104,0.36878194,GGA,Cmcm,A3B2_oC20_63_3c_2c:Si-Tb,10.0,A3B2_oC20_63_3c_2c:Si-Tb +mp-1205298,Tb2Si3,-5.74963448,-0.640697222,0.0,-0.009428164,GGA,Cmcm,A3B2_oC20_63_3c_2c:Si-Tb,10.0,A3B2_oC20_63_3c_2c:Si-Tb +mp-1217685,Tb2Si3,-5.513031102,-0.404093844,0.236603378,0.227175214,GGA,P-6m2,A3B2_hP5_187_abc_i:Si-Tb,5.0,A3B2_hP5_187_abc_i:Si-Tb +mp-1077398,TbSi2,-5.6757578983,-0.5140905117,0.01982384,0.01982384,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Tb,6.0,A2B_tI12_141_e_a:Si-Tb +mp-1535,TbSi2,-5.6532589333,-0.4915915467,0.042322805,0.042322805,GGA,P6/mmm,A2B_hP3_191_c_b:Si-Tb,3.0,A2B_hP3_191_c_b:Si-Tb +mp-977534,ZrNbTc2,-10.2106797475,-0.3681088575,0.0,-0.1319514294,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Tc-Zr,4.0,AB2C_cF16_225_a_c_b:Nb-Tc-Zr +mp-863717,Pm2NiRu,-6.358556465,-0.2196504988,0.0,-0.1551524027,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Pm-Ru,4.0,AB2C_cF16_225_a_c_b:Ni-Pm-Ru +mp-1187271,Tb2PdRh,-6.3159428375,-0.8627123675,0.0217091325,0.0217091325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Rh-Tb,4.0,ABC2_cF16_225_a_b_c:Pd-Rh-Tb +mp-1186383,OsPb3,-4.7324588475,0.8588683125000001,0.8588683125000001,0.8588683125000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Os-Pb,4.0,AB3_cF16_225_a_bc:Os-Pb +mp-631323,HgOsPb2,-3.8757825525,0.8633029312,0.8633029312,0.8633029312,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Os-Pb,4.0,ABC2_cF16_225_a_b_c:Hg-Os-Pb +mp-1018080,CrCo2Bi,-6.5567891225,0.370753925,0.370753925,0.370753925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Co-Cr,4.0,AB2C_cF16_225_a_c_b:Bi-Co-Cr +mp-1010071,CrCo,-8.22712153,0.1535611025,0.1535611025,0.1535611025,GGA,Pm-3m,AB_cP2_221_a_b:Co-Cr,2.0,AB_cP2_221_a_b:Co-Cr +mp-1226444,Cr3Co2,-8.556608773,0.078546827,0.078546827,0.078546827,GGA,Cmm2,A2B3_oC60_35_abd2f_2d3e2f:Co-Cr,30.0,"Invalid WP multiplicities - A2B3_oC60_35_abd4f_2d3e4f:Co-Cr, expected Cr13Co10 to be Cr3Co2" +mp-1226209,CrCo3,-7.6603574925,0.0841427213,0.0841427213,0.0841427213,GGA,P-6m2,A3B_hP4_187_ah_b:Co-Cr,4.0,A3B_hP4_187_ah_b:Co-Cr +mp-1087479,CrCo3,-7.7203308213,0.0241693925,0.0241693925,0.0241693925,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Cr,8.0,A3B_hP8_194_h_c:Co-Cr +mp-1008280,CrCo3,-7.681557785,0.0629424288,0.0629424288,0.0629424288,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Cr,4.0,A3B_cP4_221_c_a:Co-Cr +mp-1077706,Cr2Co,-8.5168611333,0.2879431117,0.2879431117,0.2879431117,GGA,Fd-3m,AB2_cF24_227_a_d:Co-Cr,6.0,AB2_cF24_227_a_d:Co-Cr +mp-1025503,Cr3Co,-8.7647411462,0.252123905,0.252123905,0.252123905,GGA,P6_3/mmc,AB3_hP8_194_c_h:Co-Cr,8.0,AB3_hP8_194_c_h:Co-Cr +mp-1079128,CrBi,-6.1621044388,0.5846638613,0.5846638613,0.5846638613,GGA,P2_1/c,AB_mP8_14_e_e:Bi-Cr,8.0,AB_mP8_14_e_e:Bi-Cr +mp-1227307,Cr8Co7,-8.3592940647,0.1062128903,0.1062128903,0.1062128903,GGA,P4_2nm,A7B8_tP30_102_acd_2cd:Co-Cr,30.0,A7B8_tP30_102_acd_2cd:Co-Cr +mp-979900,TmAs3,-5.0631954913,-0.4498978317,0.2995867487,0.2995867487,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Tm,8.0,A3B_hP8_194_h_c:As-Tm +mp-1101,TmAs,-6.066446075,-1.4989691608,0.0,-1.1990372731,GGA,Fm-3m,AB_cF8_225_a_b:As-Tm,2.0,AB_cF8_225_a_b:As-Tm +mp-1095469,TmAsPt,-6.2378330442,-1.1691373281,0.0226014114,0.0226014114,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Pt-Tm,12.0,ABC_hP12_194_f_f_ab:As-Pt-Tm +mp-866608,Gd2TlCd,-8.0837516375,-0.2243072908,0.1384506525,0.1384506525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Gd-Tl,4.0,AB2C_cF16_225_a_c_b:Cd-Gd-Tl +mp-1226857,Ce2FeRu3,-8.30531956,-0.2787517033,0.0,-0.0215599775,GGA,R-3m,A2BC3_hR18_166_c_a_d:Ce-Fe-Ru,6.0,A2BC3_hR18_166_c_a_d:Ce-Fe-Ru +mp-1189230,Ca3Tl5,-2.5652521962,-0.3365002746,0.009555235,0.009555235,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Ca-Tl,16.0,A3B5_oC32_63_ce_cfg:Ca-Tl +mp-2861,CaTl,-2.6295130650000003,-0.4453915517,0.0,-0.1495124275,GGA,Pm-3m,AB_cP2_221_a_b:Ca-Tl,2.0,AB_cP2_221_a_b:Ca-Tl +mp-526,CaTl3,-2.5201017975,-0.2467194675,0.0,-0.0223859511,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Tl,4.0,AB3_cP4_221_a_c:Ca-Tl +mp-984744,Ca3Tl,-2.30949752,-0.2146368233,0.0080589525,0.0080589525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Tl,8.0,A3B_hP8_194_h_c:Ca-Tl +mp-30482,Ca3Tl,-2.2725883225,-0.1777276258,0.04496815,0.04496815,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Tl,4.0,A3B_cF16_225_ac_b:Ca-Tl +mp-1093876,CaTlPd2,-2.70121044,0.9807912217,1.5013930254,1.5013930254,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pd-Tl,4.0,AB2C_oI8_71_a_e_b:Ca-Pd-Tl +mp-1184199,Eu2AgPb,-7.2279361975,-0.4631345292,0.0,-0.0414647769,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Pb,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Pb +mp-1184463,EuAg2Pb,-5.1823601,-0.2736698808,0.0080930928,0.0080930928,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Eu-Pb,4.0,A2BC_cF16_225_c_a_b:Ag-Eu-Pb +mp-1226492,CePu,-9.99836001,0.1021037325,0.1021037325,0.1021037325,GGA,R-3m,AB_hR6_166_a_b:Ce-Pu,2.0,AB_hR6_166_a_b:Ce-Pu +mp-1209780,Pu4Co,-12.438183504,0.397750719,0.4480956375,0.4480956375,GGA,Fd-3m,AB4_cF40_227_a_e:Co-Pu,10.0,AB4_cF40_227_a_e:Co-Pu +mp-863,PuCo2,-9.662641035,-0.167816395,0.0,-0.167816395,GGA,Fd-3m,A2B_cF24_227_c_b:Co-Pu,6.0,A2B_cF24_227_c_b:Co-Pu +mp-510122,CePu4Co3,-10.2052360094,0.3359384731,0.4619843866,0.4619843866,GGA,Ibam,AB3C4_oI32_72_a_bj_2j:Ce-Co-Pu,16.0,"Invalid WP multiplicities - AB3C4_oI32_72_a_bj_5j:Ce-Co-Pu, expected CePu10Co3 to be CePu4Co3" +mp-1226700,CePuCo4,-8.20094311,-0.0952433325,0.1147719842,0.1147719842,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Co-Pu,6.0,AB4C_cF24_216_a_e_c:Ce-Co-Pu +mp-1184000,CePu3,-11.9838903025,0.2002607337,0.2002607337,0.2002607337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Pu,8.0,AB3_hP8_194_c_h:Ce-Pu +mp-22452,PuCo3,-8.6872322867,0.2109656421,0.3368279383,0.3368279383,GGA,R-3m,A3B_hR36_166_ach_bc:Co-Pu,12.0,A3B_hR36_166_ach_bc:Co-Pu +mp-1226997,Ce4Pu,-7.48394701,0.11609198,0.11609198,0.11609198,GGA,R-3m,A4B_hR15_166_2c_a:Ce-Pu,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ce-Pu, expected Ce6Pu to be Ce4Pu" +mp-1227015,CePu4,-11.894562432,0.706326063,0.706326063,0.706326063,GGA,R-3m,AB4_hR15_166_a_2c:Ce-Pu,5.0,"Invalid WP multiplicities - AB4_hR15_166_a_3c:Ce-Pu, expected CePu6 to be CePu4" +mp-568820,Pu2Co17,-7.58857554,0.2733759955,0.3263706466,0.3263706466,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Co-Pu,38.0,"Invalid WP multiplicities - A17B2_hP38_194_3f5g10j8k_bc:Co-Pu, expected Pu2Co129 to be Pu2Co17" +mp-1105020,Pu6Co,-12.7162158336,0.5288338486,0.5647945046,0.5647945046,GGA,I4/mcm,AB6_tI28_140_a_hk:Co-Pu,14.0,AB6_tI28_140_a_hk:Co-Pu +mp-20026,Pu2Co,-11.8208722589,0.0604592261,0.1443674236,0.1443674236,GGA,P-62m,AB2_hP9_189_ad_fg:Co-Pu,9.0,AB2_hP9_189_ad_fg:Co-Pu +mp-510140,Pu3Co,-11.73799941,0.7399587862,0.8028899344,0.8028899344,GGA,Cmcm,AB3_oC16_63_c_cf:Co-Pu,8.0,AB3_oC16_63_c_cf:Co-Pu +mp-1190110,Zr5AgSb3,-7.1339669983,-0.6941822346000001,0.0,-0.0298160216,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ag-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ag-Sb-Zr +mp-1219761,Pt3(RhSe5)2,-5.2129782473,-0.6862362156,0.0319038585,0.0319038585,GGA,P-3m1,A3B2C10_hP15_164_ac_c_5d:Pt-Rh-Se,15.0,"Invalid WP multiplicities - A3B2C10_hP15_164_a2c_c_10d:Pt-Rh-Se, expected Pt5(RhSe10)2 to be Pt3(RhSe5)2" +mp-636599,FeSnRu2,-7.7734464275,-0.0163468912,0.0587331461,0.0587331461,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Fe-Ru-Sn +mp-21260,FeSn,-6.242521465,-0.0027249325,0.0,-0.0012816633,GGA,P6/mmm,AB_hP6_191_f_ad:Fe-Sn,6.0,AB_hP6_191_f_ad:Fe-Sn +mp-20512,FeSn,-6.055693485,0.1841030475,0.18682798,0.1855463167,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-Sn,4.0,AB_hP4_194_a_c:Fe-Sn +mp-1184775,FeSn3,-4.6493719013,0.4753122925,0.4766747587,0.4766747587,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Sn,8.0,AB3_hP8_194_c_h:Fe-Sn +mp-22752,FeSn2,-5.4842076917,0.012180615,0.0139972367,0.0139972367,GGA,I4/mcm,AB2_tI12_140_a_h:Fe-Sn,6.0,AB2_tI12_140_a_h:Fe-Sn +mp-27505,Fe3Sn2,-6.687573391,-0.001731923,0.000448023,0.000448023,GGA,R-3m,A3B2_hR30_166_h_2c:Fe-Sn,10.0,A3B2_hR30_166_h_2c:Fe-Sn +mp-1225154,Fe3Sn,-7.2268866275,0.1280222438,0.12938471,0.12938471,GGA,P4/mmm,A3B_tP4_123_ah_b:Fe-Sn,4.0,A3B_tP4_123_ah_b:Fe-Sn +mp-20883,Fe3Sn,-7.3204479075,0.0344609638,0.03582343,0.03582343,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-Sn,8.0,A3B_hP8_194_h_c:Fe-Sn +mp-22461,Fe3Sn,-7.2703595375,0.0845493338,0.0859118,0.0859118,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-Sn,4.0,A3B_cP4_221_c_a:Fe-Sn +mp-510164,Fe2Sn,-6.784662655,0.1985421033,0.200358725,0.200358725,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Fe-Sn,6.0,A2B_hP6_194_ac_d:Fe-Sn +mp-1224332,InAs4Pd15,-5.2114588405,-0.2571396155,0.1384802243,0.1384802243,GGA,R-3m,A4BC15_hR60_166_2c_a_b7c:As-In-Pd,20.0,"Invalid WP multiplicities - A4BC15_hR60_166_3c_a_b14c:As-In-Pd, expected InAs6Pd29 to be InAs4Pd15" +mp-1025293,InAsPd5,-5.2521891157,-0.4935875179,0.0,-0.0640108564,GGA,P4/mmm,ABC5_tP7_123_b_c_ai:As-In-Pd,7.0,ABC5_tP7_123_b_c_ai:As-In-Pd +mp-1209574,Sm23Cd4Ru7,-5.4905201012,-0.2805242799,0.0,-0.0106324552,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ru-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Cd-Ru-Sm +mp-1218898,SnTePt,-5.0600778617,-0.6520741722,0.0,-0.0611605506,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-Sn-Te,12.0,ABC_cP12_198_a_a_a:Pt-Sn-Te +mp-1185296,Li3Yb,-1.7500092463,0.0665849737,0.0665849737,0.0665849737,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-Yb,,A3B_hP8_194_h_c:Li-Yb +mp-1185286,Li3Yb,-1.7290398075,0.0875544125,0.0875544125,0.0875544125,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Yb,,A3B_cF16_225_ac_b:Li-Yb +mp-1185435,LiYbAu2,-3.2339709725,-0.7348971858000001,0.0142014975,0.0142014975,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Yb,,A2BC_cF16_225_c_a_b:Au-Li-Yb +mp-1185469,LiYb3,-1.54905238,0.0828845467,0.0828845467,0.0828845467,GGA,I4/mmm,AB3_tI8_139_a_bd:Li-Yb,,AB3_tI8_139_a_bd:Li-Yb +mp-1185470,LiYb3,-1.5463261762,0.0856107504,0.0856107504,0.0856107504,GGA,P6_3/mmc,AB3_hP8_194_c_h:Li-Yb,,AB3_hP8_194_c_h:Li-Yb +mp-980190,LiYb3,-1.5390947725,0.0928421542,0.0928421542,0.0928421542,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Yb,,AB3_cF16_225_a_bc:Li-Yb +mp-865230,TmMgRh2,-5.977168315,-0.7759855117000001,0.0,-0.05312081,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Tm +mp-1208049,Tm4MgRh,-4.8913013179,-0.413313049,0.0,-0.0455655302,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Rh-Tm,24.0,ABC4_cF96_216_e_e_efg:Mg-Rh-Tm +mp-982388,HoTmMg2,-3.12814531,-0.0634442117,0.002539795,0.002539795,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Tm +mp-1215854,Yb2Ge3Pd,-4.3866763517,-0.6986460292000001,0.0040413115,0.0040413115,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Ge-Pd-Yb,,A3BC2_oP6_25_a2b_a_cd:Ge-Pd-Yb +mp-3296,Yb(GePd)2,-4.988880082,-0.75979456,0.0,-0.0441351487,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-Yb,,A2B2C_tI10_139_e_d_a:Ge-Pd-Yb +mp-1087231,Yb2Ge6Pd,-4.3859803389,-0.3862841722,0.1124465289,0.0984195695,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Yb,,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Yb +mp-10789,Yb2Ge6Pd,-4.4984268678,-0.4987307011,0.0,-0.0140269594,GGA,Cmce,A6BC2_oC72_64_4fg_f_g:Ge-Pd-Yb,,A6BC2_oC72_64_4fg_f_g:Ge-Pd-Yb +mp-1189703,YbGe2Pd,-4.6942865769,-0.7029001269,0.0,-0.0248884644,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pd-Yb,,A2BC_oI32_71_efm_m_ei:Ge-Pd-Yb +mp-1215631,YbGePd,-4.6038891433,-0.8230498283000001,0.0557308617,-0.0276987581,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Yb,,ABC_mC12_12_i_i_i:Ge-Pd-Yb +mp-568724,YbGePd,-4.659620005,-0.87878069,0.0,-0.0834296197,GGA,Imm2,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Yb,,"Invalid WP multiplicities - ABC_oI36_44_5c_5c_ab2c:Ge-Pd-Yb, expected Yb3(GePd)5 to be YbGePd" +mp-10415,Yb3(GePd)4,-4.7927901782,-0.8082025873,0.0164934982,0.0164934982,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Pd-Yb,,A4B4C3_oI22_71_eg_n_bf:Ge-Pd-Yb +mp-862936,PmMgAg2,-3.3054963175,-0.3015127227,0.0,-0.1083952021,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Pm,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Pm +mp-1104438,Hf(GaFe)6,-6.3583582015,-0.2855972458,0.0,-0.0462080418,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Hf,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Hf +mp-1087487,Hf6Ga2Fe,-8.5961930144,-0.3440432994,0.0,-0.0157168682,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Ga-Hf,9.0,AB2C6_hP9_189_a_d_fg:Fe-Ga-Hf +mp-1009830,Be2Zn,-2.6346467667,0.27820968,0.27820968,0.27820968,GGA,Fmmm,A2B_oF12_69_g_a:Be-Zn,3.0,A2B_oF12_69_g_a:Be-Zn +mp-1194397,BeZn13,-1.2311433743,0.2057194682,0.2057194682,0.2057194682,GGA,Fm-3c,AB13_cF112_226_a_bi:Be-Zn,28.0,AB13_cF112_226_a_bi:Be-Zn +mp-1096190,Hf2BeZn,-2.6548623725,3.5735212613,3.7688866844,3.7688866844,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Hf-Zn,4.0,AB2C_oI8_71_a_e_b:Be-Hf-Zn +mp-1080619,TmZnSn2,-3.8449699538,-0.4062892679,0.0128129728,0.0128129728,GGA,P4/nmm,A2BC_tP8_129_ac_c_b:Sn-Tm-Zn,8.0,A2BC_tP8_129_ac_c_b:Sn-Tm-Zn +mp-1207958,TmZnSn,-3.7833943817,-0.5350107522,0.0,-0.0426629904,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Sn-Tm-Zn,12.0,ABC_hP12_194_f_ab_f:Sn-Tm-Zn +mp-1096612,Mg2TlCd,-0.5051155675,1.1164076842,1.1892348342,1.1892348342,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Tl +mp-1187944,Yb2ZnGe,-2.809997555,-0.5695005487,0.0,-0.0134922887,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Yb-Zn,,AB2C_cF16_225_a_c_b:Ge-Yb-Zn +mp-1216467,Yb20Zn30Ge31,-3.0741531857,-0.4581243288,0.0047889317,0.0047889317,GGA,C2/m,A31B20C30_mC162_12_a15i_10i_15i:Ge-Yb-Zn,,"Invalid WP multiplicities - A31B20C30_mC162_12_a27i_18i_27i:Ge-Yb-Zn, expected Yb36Zn54Ge55 to be Yb20Zn30Ge31" +mp-1215571,YbZnGe,-3.0257910517,-0.55166447,0.0,-0.0493645029,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Yb-Zn,,ABC_mC12_12_i_i_i:Ge-Yb-Zn +mp-1207198,Yb(ZnGe)2,-3.03365674,-0.372626498,0.0060912931,0.0060912931,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Yb-Zn,,A2BC2_tI10_139_e_a_d:Ge-Yb-Zn +mp-569434,Yb2(ZnGe)3,-3.0596410456,-0.4686996762,0.0,-0.0083745717,GGA,C2/m,A3B2C3_mC32_12_3i_2i_3i:Ge-Yb-Zn,,"Invalid WP multiplicities - A3B2C3_mC32_12_6i_2i_6i:Ge-Yb-Zn, expected Yb(ZnGe)3 to be Yb2(ZnGe)3" +mp-1228849,AlNi2As,-5.3471604725,-0.3559185737,0.1193570323,0.1193570323,GGA,P-6m2,ABC2_hP4_187_a_d_i:Al-As-Ni,4.0,ABC2_hP4_187_a_d_i:Al-As-Ni +mp-988939,AlAs,-4.062218535,0.1401285825,0.625270745,0.1401285825,GGA,P4/mmm,AB_tP2_123_a_b:Al-As,2.0,AB_tP2_123_a_b:Al-As +mp-8881,AlAs,-4.68056761,-0.4782204925,0.00692167,-0.4782204925,GGA,P6_3mc,AB_hP4_186_b_b:Al-As,4.0,AB_hP4_186_b_b:Al-As +mp-11209,AlAs,-4.439191775,-0.2368446575,0.248297505,-0.2368446575,GGA,P6_3/mmc,AB_hP4_194_a_c:Al-As,4.0,AB_hP4_194_a_c:Al-As +mp-988945,AlAs,-4.5376919375,-0.33534482,0.1497973425,-0.33534482,GGA,Pa-3,AB_cP16_205_c_c:Al-As,16.0,AB_cP16_205_c_c:Al-As +mp-2172,AlAs,-4.68748928,-0.4851421625,0.0,-0.4851421625,GGA,F-43m,AB_cF8_216_a_c:Al-As,2.0,AB_cF8_216_a_c:Al-As +mp-1630,Zr3Hg,-6.66740822,-0.1807126563,0.0,-0.0958479525,GGA,Pm-3n,AB3_cP8_223_a_c:Hg-Zr,8.0,AB3_cP8_223_a_c:Hg-Zr +mp-1188042,ZrHg3,-2.40685326,-0.0421678288,0.042696875,0.042696875,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-Zr,8.0,A3B_hP8_194_h_c:Hg-Zr +mp-1608,ZrHg3,-2.430832905,-0.0661474738,0.01871723,0.01871723,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-Zr,4.0,A3B_cP4_221_c_a:Hg-Zr +mp-1096357,TaMn2Ga,-5.3111630525,2.9913130067,3.2038459863,3.2038459863,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mn-Ta,4.0,AB2C_oI8_71_a_e_b:Ga-Mn-Ta +mp-1187238,TaMn2Ga,-8.5011729575,-0.1986968983,0.0138360813,0.0138360813,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-Ta,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-Ta +mp-1225254,EuAgGe,-6.3721264633,-0.4679312439,0.0103353038,0.0103353038,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Eu-Ge,6.0,ABC_mC12_12_i_i_i:Ag-Eu-Ge +mp-1206337,Eu(AgGe)2,-5.404664724,-0.3710308207,0.0,-0.0428814397,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Eu-Ge,5.0,A2BC2_tI10_139_d_a_e:Ag-Eu-Ge +mp-1183896,Eu2AgGe,-7.4854495025,-0.4930526379,0.0327800572,0.0327800572,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Eu-Ge,4.0,AB2C_cF16_225_a_c_b:Ag-Eu-Ge +mp-1183891,Eu2AgAu,-7.20763533,-0.5525249292000001,0.0189999381,0.0189999381,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Eu,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Eu +mp-865013,EuAgAu2,-5.39747896,-0.4881485092,0.0774219471,0.0774219471,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Au-Eu,4.0,AB2C_cF16_225_a_c_b:Ag-Au-Eu +mp-864936,MnGeRu2,-8.3523091925,-0.2688471357,0.0,-0.1009193157,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Ru,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Ru +mp-1221898,Mn2GeRu,-8.2442394925,-0.1888742477,0.0063728938,0.0063728938,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ge-Mn-Ru,4.0,AB2C_cF16_216_a_bc_d:Ge-Mn-Ru +mp-1205778,HoCdAu,-3.5742915667,-0.6478980233,0.0,-0.0373577608,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Ho,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Ho +mp-977415,HoCdAu2,-3.6862832375,-0.67301758,0.0,-0.0163892375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Ho,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Ho +mp-14210,LiGdGe,-7.58076185,-0.7114041961,0.0,-0.1029459741,GGA,P-62m,ABC_hP9_189_f_ad_g:Gd-Ge-Li,9.0,ABC_hP9_189_f_ad_g:Gd-Ge-Li +mp-1188577,TmGe2Pt,-5.7696190012,-0.8213628879,0.0243971506,0.0243971506,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pt-Tm,16.0,A2BC_oI32_71_efm_m_ei:Ge-Pt-Tm +mp-1208107,Tm2(GePt3)3,-6.3158875207000005,-0.7829622142,0.0238465543,0.0238465543,GGA,C2/c,A3B9C2_mC56_15_cf_e4f_f:Ge-Pt-Tm,28.0,A3B9C2_mC56_15_af_e4f_f:Ge-Pt-Tm +mp-1206030,Tm2Ge6Pt,-5.2518668156,-0.5006477826,0.0749931786,0.0749931786,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Tm,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Tm +mp-1102110,TmGePt,-6.1843455842,-1.1276800514,0.0,-0.139345875,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Tm +mp-1194768,Tm3Ge13Pt4,-5.382282779,-0.4917126957,0.0672905573,0.0672905573,GGA,Cc,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Tm,40.0,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Tm +mp-1207953,Tm5(GeSb)2,-5.4095049811,-0.9780343915,0.0,-0.0110659693,GGA,Cmce,A2B2C5_oC36_64_f_d_ag:Ge-Sb-Tm,18.0,A2B2C5_oC36_64_f_d_ag:Ge-Sb-Tm +mp-1187193,SrCeHg2,-2.4451580825,-0.3876722479,0.0201026475,0.0201026475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Ce-Hg-Sr +mp-972286,SrCe3,-4.512029345,0.3601608846,0.3601608846,0.3601608846,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Sr,8.0,A3B_hP8_194_h_c:Ce-Sr +mp-1187224,SrCe3,-4.5030820975,0.3691081321,0.3691081321,0.3691081321,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Sr,4.0,A3B_cP4_221_c_a:Ce-Sr +mp-1187237,Sr3Ce,-2.4704885675,0.2799038113,0.2799038113,0.2799038113,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Sr,8.0,AB3_hP8_194_c_h:Ce-Sr +mp-1206258,NpAl3Pd2,-6.3180979783,-0.5607195131,0.0840067126,0.0840067126,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Np-Pd,6.0,A3BC2_hP6_191_g_a_c:Al-Np-Pd +mp-569227,NpAl2Pd5,-6.4954284875,-0.7031359386,0.000192685,0.000192685,GGA,I4/mmm,A2BC5_tI16_139_e_a_bg:Al-Np-Pd,8.0,A2BC5_tI16_139_e_a_bg:Al-Np-Pd +mp-1091385,PuAl2Pd5,-6.7259660875,-0.7686662075,0.0,-0.0112636875,GGA,I4/mmm,A2B5C_tI16_139_e_ag_b:Al-Pd-Pu,8.0,A2B5C_tI16_139_e_ag_b:Al-Pd-Pu +mp-1206289,PuAl3Pd2,-6.6538840717,-0.6764958317,0.0110204588,0.0110204588,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Pd-Pu,6.0,A3B2C_hP6_191_g_c_a:Al-Pd-Pu +mp-1096201,Mg2CdIr,-1.4880685850000002,1.752402425,2.0184859719,2.0184859719,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ir-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-Ir-Mg +mp-1185752,Mg2CdIr,-3.481623735,-0.241152725,0.0249308219,0.0249308219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ir-Mg,4.0,ABC2_cF16_225_a_b_c:Cd-Ir-Mg +mp-1217815,TaTiTe4,-6.178438655,-0.7906897850000001,0.0204630148,0.0204630148,GGA,P-3m1,AB4C_hP6_164_a_2d_b:Ta-Te-Ti,6.0,"Invalid WP multiplicities - AB4C_hP6_164_a_3d_b:Ta-Te-Ti, expected TaTiTe6 to be TaTiTe4" +mp-978500,Si2TcOs,-8.5253658675,-0.4157052588,0.0271282744,0.0271282744,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Si-Tc,4.0,AB2C_cF16_225_a_c_b:Os-Si-Tc +mp-1079831,HfReSi,-10.0423100911,-0.7666320094,0.0,-0.2026980317,GGA,P-62m,ABC_hP9_189_f_g_ad:Hf-Re-Si,9.0,ABC_hP9_189_f_g_ad:Hf-Re-Si +mp-21569,HfReSi2,-8.8933557094,-0.5802676406,0.0381286165,0.0381286165,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Hf-Re-Si,48.0,"Invalid WP multiplicities - ABC2_oP48_55_2g2i_ei_2g2hi:Hf-Re-Si, expected Hf2ReSi2 to be HfReSi2" +mp-1193862,Hf9Re4Si,-10.7200134382,-0.3758614354,0.0,-0.0053499481,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Re-Si,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Re-Si +mp-631420,CaRe2Si,-7.2534079975,0.8265850725,1.0780678738,1.0780678738,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Re-Si,4.0,AB2C_cF16_225_a_c_b:Ca-Re-Si +mp-29565,PrSiPd,-6.0220552183,-0.8933533533,0.0,-0.0343408871,GGA,P2_1/c,ABC_mP24_14_2e_2e_2e:Pd-Pr-Si,24.0,ABC_mP24_14_2e_2e_2e:Pd-Pr-Si +mp-1189045,PrSiPd2,-6.0387853406,-0.8972884894000001,0.0,-0.0387345404,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Pr-Si,16.0,A2BC_oP16_62_d_c_c:Pd-Pr-Si +mp-1209429,Pr3(Si3Pd10)2,-5.9837309917,-0.7943426591,0.0,-0.0824051418,GGA,Fm-3m,A20B3C6_cF116_225_fh_ac_e:Pd-Pr-Si,29.0,A20B3C6_cF116_225_fh_ac_e:Pd-Pr-Si +mp-1209411,Pr2Si3Pd,-6.0253586112,-0.8557507096,0.0,-0.1033955796,GGA,P6_3/mmc,AB2C3_hP24_194_f_bh_k:Pd-Pr-Si,24.0,AB2C3_hP24_194_f_bh_k:Pd-Pr-Si +mp-3278,Pr(SiPd)2,-6.105900974,-0.907639887,0.0,-0.1135516013,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Pd-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Pd-Pr-Si +mp-1022715,CeMg6Zn,-2.04417963,0.0551345031,0.1447807863,0.1447807863,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Zn,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Zn +mp-1099273,CeMg6Zn,-2.0454456487,0.0538684844,0.1435147676,0.1435147676,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Zn +mp-1028079,CeMg14Zn,-1.8231587719,0.0266383197,0.0836348189,0.0836348189,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Zn, expected CeMg18Zn to be CeMg14Zn" +mp-1028072,CeMg14Zn,-1.8127748119,0.0370222797,0.0940187789,0.0940187789,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Zn, expected CeMg26Zn to be CeMg14Zn" +mp-13254,CeMgZn2,-2.7947769,-0.2815627938,0.0,-0.0534172039,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Mg-Zn +mp-1226954,Ce2MgZn,-3.7367775475,-0.055227055,0.0902758267,0.0902758267,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ce-Mg-Zn,4.0,A2BC_tP4_123_h_a_b:Ce-Mg-Zn +mp-569703,Ce20Mg19Zn81,-2.3569192791,-0.2643664752,0.0,-0.0117810743,GGA,F-43m,A20B19C81_cF480_216_2efg_cfh_a5e3hi:Ce-Mg-Zn,120.0,"Invalid WP multiplicities - A20B19C81_cF480_216_6e6f6g_c4f5h_a20e30h21i:Ce-Mg-Zn, expected Ce96(Mg17Zn189)5 to be Ce20Mg19Zn81" +mp-1220354,Ni5(Mo2As3)6,-7.2072553769,-0.2668949194,0.0171749695,0.0171749695,GGA,C2/m,A18B12C5_mC70_12_9i_6i_a2i:As-Mo-Ni,35.0,"Invalid WP multiplicities - A18B12C5_mC70_12_18i_12i_a3i:As-Mo-Ni, expected Ni7(Mo2As3)12 to be Ni5(Mo2As3)6" +mp-1184123,DyZr,-6.472917525,0.10432621,0.10432621,0.10432621,GGA,P-6m2,AB_hP2_187_a_d:Dy-Zr,2.0,AB_hP2_187_a_d:Dy-Zr +mp-866009,DyZrRu2,-8.42306778,-0.4972446425,0.0015284793,0.0015284793,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Zr +mp-1183825,Dy3Zr,-5.4967562575,0.09525903,0.09525903,0.09525903,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Zr,4.0,A3B_tI8_139_ad_b:Dy-Zr +mp-1183805,Dy3Zr,-5.498942435,0.0930728525,0.0930728525,0.0930728525,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Zr,4.0,A3B_cP4_221_c_a:Dy-Zr +mp-1183753,CeHoIn2,-4.404863355,-0.4001469838,0.0,-0.030691465,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Ho-In,4.0,ABC2_cF16_225_a_b_c:Ce-Ho-In +mp-1093836,Sc2InTc,-4.0597934275,2.3845217938,2.7475130247,2.7475130247,GGA,Immm,AB2C_oI8_71_a_e_b:In-Sc-Tc,4.0,AB2C_oI8_71_a_e_b:In-Sc-Tc +mp-975528,NdDyTl2,-3.886916445,-0.3618613035,0.0,-0.000226635,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Nd-Tl +mp-866127,LuTaOs2,-10.086588125,-0.3782223725,0.0,-0.0210813645,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Os-Ta,4.0,AB2C_cF16_225_a_c_b:Lu-Os-Ta +mp-1185523,LuTa3,-9.7013616725,0.32220918,0.32220918,0.32220918,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Ta,8.0,AB3_hP8_194_c_h:Lu-Ta +mp-1220418,Nb6RuRh,-9.8750418025,-0.2192242213,0.00477912,0.00477912,GGA,Pm-3,A6BC_cP8_200_f_a_b:Nb-Rh-Ru,8.0,A6BC_cP8_200_f_a_b:Nb-Rh-Ru +mp-1189199,Lu3Sb4Au3,-4.7896628965,-0.7996126445,0.0,-0.0549282024,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Lu-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Lu-Sb +mp-1183875,CePr3,-4.9687839775,0.1001676275,0.1001676275,0.1001676275,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Pr,4.0,AB3_tI8_139_a_bd:Ce-Pr +mp-1183736,CePr3,-4.983016835,0.08593477,0.08593477,0.08593477,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Pr,4.0,AB3_cP4_221_a_c:Ce-Pr +mp-1226526,CePrFe4,-7.3928732867,0.0394733383,0.0802890617,0.0802890617,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Fe-Pr,6.0,AB4C_cF24_216_a_e_c:Ce-Fe-Pr +mp-1227066,CePr3Fe34,-8.064640725,0.0473731582,0.0538177461,0.0538177461,GGA,Cm,AB34C3_mC76_8_a_10a12b_3a:Ce-Fe-Pr,38.0,"Invalid WP multiplicities - AB34C3_mC76_8_a_10a23b_3a:Ce-Fe-Pr, expected CePr3Fe56 to be CePr3Fe34" +mp-1097595,BeInPt2,-3.0519717575,1.6063690513000002,2.052866402,2.052866402,GGA,Immm,ABC2_oI8_71_a_b_e:Be-In-Pt,4.0,ABC2_oI8_71_a_b_e:Be-In-Pt +mp-1186611,PmNdGa2,-4.4527806,-0.55906015,0.0,-0.03458475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Nd-Pm,4.0,A2BC_cF16_225_c_a_b:Ga-Nd-Pm +mp-862891,PmCdAu2,-3.7114326,-0.6561335794,0.0,-0.1151863533,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Pm +mp-672292,Gd3Se4,-10.1696512743,-2.1393637556,0.0107278696,0.0107278696,GGA,I-43d,A3B4_cI28_220_a_c:Gd-Se,14.0,A3B4_cI28_220_a_c:Gd-Se +mp-1188175,Gd2Se3,-9.9046027475,-2.1766069649,0.0,-0.1050303355,GGA,Pnma,A2B3_oP20_62_2c_3c:Gd-Se,20.0,A2B3_oP20_62_2c_3c:Gd-Se +mp-1218995,SmGdSe2,-8.5213713975,-2.0747385649,0.0,-0.0099451675,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-Se-Sm,4.0,AB2C_hR12_166_a_c_b:Gd-Se-Sm +mp-1018707,GdSe2,-8.9360550667,-1.9134066682,0.0,-0.0995675308,GGA,P4/nmm,AB2_tP6_129_c_ac:Gd-Se,6.0,AB2_tP6_129_c_ac:Gd-Se +mp-510404,GdSe,-10.869820135,-2.0838032762,0.0,-0.21185999,GGA,Fm-3m,AB_cF8_225_a_b:Gd-Se,2.0,AB_cF8_225_a_b:Gd-Se +mp-1185445,LiTbIn2,-3.3920416475,-0.3803775408,0.0121906253,0.0121906253,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Tb,4.0,A2BC_cF16_225_c_a_b:In-Li-Tb +mp-1095197,SmCdGa,-3.4152882367,-0.5254309308,0.0,-0.0165403867,GGA,P-62m,ABC_hP9_189_f_bc_g:Cd-Ga-Sm,9.0,ABC_hP9_189_f_bc_g:Cd-Ga-Sm +mp-1186226,NaGd3,-10.6471605212,0.2405624821,0.2405624821,0.2405624821,GGA,P6_3/mmc,A3B_hP8_194_h_c:Gd-Na,8.0,A3B_hP8_194_h_c:Gd-Na +mp-1186166,NaGdHg2,-4.3494603325,-0.3479582666,0.0309511244,0.0309511244,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Na,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Na +mp-1096648,LaHg2Pb,-0.9843138475,1.3296898788,1.7694031208,1.7694031208,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-La-Pb,4.0,A2BC_oI8_71_e_a_b:Hg-La-Pb +mp-1093835,La2HgPb,-1.90932,1.5627654113,2.1318472804,2.1318472804,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Pb,4.0,AB2C_oI8_71_a_e_b:Hg-La-Pb +mp-932458,Sm4In21Pd10,-3.12540665,0.5448368063,1.0675602631,1.0656240777,GGA,P1,A21B10C4_aP35_1_21a_10a_4a:In-Pd-Sm,35.0,A21B10C4_aP35_1_21a_10a_4a:In-Pd-Sm +mp-680615,Sm4In21Pd10,-4.1904931934,-0.5202497371,0.0024737197,0.0005375342,GGA,C2,A21B10C4_mC70_5_a10c_5c_2c:In-Pd-Sm,35.0,"Invalid WP multiplicities - A21B10C4_mC70_12_a19i_9i_3i:In-Pd-Sm, expected Sm2In13Pd6 to be Sm4In21Pd10" +mp-1179485,Sm4In21Pd10,-4.1929669131,-0.5227234569,0.0,-0.0019361855,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:In-Pd-Sm,35.0,A21B10C4_mC70_12_a10i_5i_2i:In-Pd-Sm +mp-982004,SmInPd,-5.0118345111,-0.7951172861,0.0,-0.0407081298,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Sm,9.0,ABC_hP9_189_f_bc_g:In-Pd-Sm +mp-1103195,Sm2In8Pd,-3.7640901873,-0.4340425582,0.009363191,0.009363191,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:In-Pd-Sm,11.0,A8BC2_tP11_123_ehi_a_g:In-Pd-Sm +mp-20404,Sm2InPd2,-5.343443581,-0.8337196570000001,0.0,-0.0140483293,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Sm,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Sm +mp-1210938,SmIn2Pd,-4.5057298817,-0.6552710305,0.0,-0.013653242,GGA,I4mm,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Sm,40.0,A2BC_tI80_107_c2de_bcd_2acd:In-Pd-Sm +mp-1211433,Li6Yb17Hg9,-1.639249768,-0.3779997291,0.0,-0.019241137,GGA,Im-3m,A9B6C17_cI128_229_eh_h_abdk:Hg-Li-Yb,,A9B6C17_cI128_229_eh_h_abdk:Hg-Li-Yb +mp-864781,LiYb2Hg,-1.6338093025,-0.3108543546,0.0251454046,0.0251454046,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Li-Yb,,ABC2_cF16_225_a_b_c:Hg-Li-Yb +mp-1206487,Yb(CdAs)2,-3.153630758,-0.612905836,0.0,-0.1475261886,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Cd-Yb,,A2B2C_hP5_164_d_d_a:As-Cd-Yb +mp-867748,ScSnRu2,-7.7300885,-0.50737699,0.0,-0.1487551421,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-Sn +mp-1096103,Ca2HgPt,-1.829274955,0.7672284062,1.484913134,1.484913134,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Hg-Pt,4.0,A2BC_oI8_71_e_a_b:Ca-Hg-Pt +mp-1187590,TmMgPd2,-4.9564910275,-0.8475212542,0.0,-0.00186739,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Tm,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Tm +mp-1205919,TmMgPd,-4.4523546933,-0.7003555989,0.0,-0.059889849,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pd-Tm,9.0,ABC_hP9_189_f_bc_g:Mg-Pd-Tm +mp-10308,Ho2Ge2Rh,-6.095051144,-0.94001488,0.0,-0.0042816265,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-Ho-Rh,10.0,A2B2C_mC20_12_2i_2i_i:Ge-Ho-Rh +mp-22670,HoGeRh,-6.5081317775,-0.9848835792,0.0,-0.0764365008,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Rh +mp-17534,Ho2Ge5Rh3,-6.2099841035,-0.772696041,0.0,-0.0095806614,GGA,C2/c,A5B2C3_mC40_15_3ef_f_ef:Ge-Ho-Rh,20.0,"Invalid WP multiplicities - A5B2C3_mC40_15_3ef_f_2e2f:Ge-Ho-Rh, expected Ho2Ge5Rh6 to be Ho2Ge5Rh3" +mp-1202484,Ho3Ge13Rh4,-5.7007859457,-0.5355949355,0.0144429593,0.0144429593,GGA,Pm-3n,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Rh,40.0,A13B3C4_cP40_223_ak_c_e:Ge-Ho-Rh +mp-1095528,Ho(Ge2Rh3)2,-6.8525566836,-0.7379778191,0.0,-0.0907577914,GGA,P-6m2,A4BC6_hP11_187_ak_c_jk:Ge-Ho-Rh,11.0,A4BC6_hP11_187_ak_c_jk:Ge-Ho-Rh +mp-569650,Ho(GeRh)2,-6.585624658,-0.8742085940000001,0.0,-0.0505863063,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Ho-Rh,5.0,A2BC2_tI10_139_e_a_d:Ge-Ho-Rh +mp-1224200,Ho4Ge8Rh,-5.4627334154,-0.6413360162,0.0426105084,0.0426105084,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Rh,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Rh +mp-1212370,Ho3(GeRh)2,-6.3194306882,-0.9305881082,0.0028848806,0.0028848806,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Ho-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ge-Ho-Rh +mp-21816,Ho5(Ge5Rh2)2,-5.9889040192,-0.7994537887000001,0.0,-0.0328443042,GGA,P4/mbm,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Rh,38.0,A10B5C4_tP38_127_gij_a2h_i:Ge-Ho-Rh +mp-1190294,Zr5Sn3Se,-7.3159354817,-0.8422543491000001,0.0,-0.0345627173,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Se-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:Se-Sn-Zr +mp-1224464,Hf3AlGe5,-6.7217664844,-0.4181795739,0.0555937094,0.0555937094,GGA,Amm2,AB5C3_oC36_38_2a_4a6b_3a3b:Al-Ge-Hf,18.0,AB5C3_oC36_38_2a_4a6b_3a3b:Al-Ge-Hf +mp-1096214,Ca2MgPb,-1.067398685,1.263633035,1.6828203535,1.6828203535,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Mg-Pb,4.0,A2BC_oI8_71_e_a_b:Ca-Mg-Pb +mp-861738,CaMgPb,-2.8731608442,-0.4336518442,0.0,-0.0776555314,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Mg-Pb,12.0,ABC_oP12_62_c_c_c:Ca-Mg-Pb +mp-1097140,SiTc2Sb,-4.9193572975,2.6495419925,2.8937364656,2.8937364656,GGA,Immm,ABC2_oI8_71_a_b_e:Sb-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Sb-Si-Tc +mp-867123,TaTiOs2,-11.0439371125,-0.4919359858,0.0,-0.0006098036,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Ta-Ti,4.0,A2BC_cF16_225_c_a_b:Os-Ta-Ti +mp-5031,TaSiAs,-7.80238877,-0.488317415,0.0,-0.0392515394,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Si-Ta,6.0,ABC_tP6_129_c_a_c:As-Si-Ta +mp-1208434,Ta2SiAs2,-7.129351836,0.562470184,1.072811945,1.072811945,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Si-Ta,5.0,A2BC2_tP5_123_g_a_g:As-Si-Ta +mp-865796,LuCdRh2,-5.67688847,-0.633774465,0.0,-0.0577471962,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Lu-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Lu-Rh +mp-974221,HoErTl2,-3.7865562925,-0.3177027992,0.0,-0.00616938,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Tl +mp-975522,NdLuTl2,-3.82268615,-0.3190900885,0.0127468428,0.0127468428,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Lu-Nd-Tl +mp-1186275,Nd3Lu,-4.7001105875,0.0062376169,0.0062376169,0.0062376169,GGA,Pm-3m,AB3_cP4_221_a_c:Lu-Nd,4.0,AB3_cP4_221_a_c:Lu-Nd +mp-1186318,NdLu3,-4.5718543837,0.0108953644,0.0108953644,0.0108953644,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Nd,8.0,A3B_hP8_194_h_c:Lu-Nd +mp-866112,HoNbRu2,-8.632227915,-0.3240981675,0.0,-0.0277622818,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Nb-Ru,4.0,ABC2_cF16_225_a_b_c:Ho-Nb-Ru +mp-510280,CeAgSb2,-5.0154233287,-0.7595114192,0.0,-0.0818735554,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Ag-Ce-Sb,8.0,ABC2_tP8_129_a_c_bc:Ag-Ce-Sb +mp-1206228,Ce2(AgSb)3,-3.8583428563,0.2355133988,0.9038640052,0.9038640052,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Ag-Ce-Sb,8.0,A3B2C3_tP8_123_ag_g_bg:Ag-Ce-Sb +mp-30754,LaTlPd,-4.8464786856,-0.6869679983,0.0,-0.0563971322,GGA,P-62m,ABC_hP9_189_f_ad_g:La-Pd-Tl,9.0,ABC_hP9_189_f_ad_g:La-Pd-Tl +mp-1195719,Tm5Bi3,-4.8627443422,-0.6251637789000001,0.0110479378,-0.0267604364,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Tm,32.0,A3B5_oP32_62_cd_3cd:Bi-Tm +mp-1208046,Tm5Bi3,-4.87379228,-0.6362117167,0.0,-0.0378083742,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-Tm,32.0,A3B5_oP32_62_cd_3cd:Bi-Tm +mp-1216578,TmBiTe3,-4.591668696,-1.0424202493,0.0237806857,0.0237806857,GGA,R3m,AB3C_hR15_160_a_3a_a:Bi-Te-Tm,5.0,AB3C_hR15_160_a_3a_a:Bi-Te-Tm +mp-971906,TmBi3,-4.3026539875,-0.3033282842,0.0956072775,0.0956072775,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Tm,4.0,A3B_tI8_139_ad_b:Bi-Tm +mp-1187685,TmBi3,-4.3046169125,-0.3052912092,0.0936443525,0.0936443525,GGA,P6_3/mmc,A3B_hP8_194_h_c:Bi-Tm,8.0,A3B_hP8_194_h_c:Bi-Tm +mp-23234,TmBi,-4.9560334,-0.7978711233,0.0,-0.2719662425,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Tm,2.0,AB_cF8_225_a_b:Bi-Tm +mp-568539,LaInRh,-5.74020832,-0.7228754183,0.0,-0.0301836872,GGA,P-62m,ABC_hP9_189_f_g_bc:In-La-Rh,9.0,ABC_hP9_189_f_g_bc:In-La-Rh +mp-21002,LaIn2Rh,-5.102290775,-0.6513701663,0.0,-0.04490376,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-La-Rh,8.0,A2BC_oC16_63_f_c_c:In-La-Rh +mp-21479,LaIn5Rh,-4.1794739086,-0.4567976764,0.0,-0.0365667691,GGA,P4/mmm,A5BC_tP7_123_ci_a_b:In-La-Rh,7.0,A5BC_tP7_123_ci_a_b:In-La-Rh +mp-20907,La2InRh2,-6.196211719,-0.725748983,0.003917199,0.003917199,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-La-Rh,10.0,AB2C2_tP10_127_a_h_g:In-La-Rh +mp-1187889,YbCe2In,-4.08488702,-0.04551944,0.203691775,0.203691775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-In-Yb,,A2BC_cF16_225_c_a_b:Ce-In-Yb +mp-1232418,CaTb3,-3.85442445,0.122750095,0.122750095,0.122750095,GGA,I4/mmm,AB3_tI8_139_a_bd:Ca-Tb,4.0,AB3_tI8_139_a_bd:Ca-Tb +mp-1183549,CaTb3,-3.848259405,0.12891514,0.12891514,0.12891514,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-Tb,4.0,AB3_cP4_221_a_c:Ca-Tb +mp-1183522,Ca3Tb,-2.5363268975,0.1264645375,0.1264645375,0.1264645375,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-Tb,8.0,A3B_hP8_194_h_c:Ca-Tb +mp-1183553,CaTbPd2,-5.03325843,-0.78332603,0.0236516203,0.0236516203,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Tb,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Tb +mp-1222085,Mn2CrAs3,-7.2333221671,-0.2409166222,0.0,-0.0013036396,GGA,Pm,A3BC2_mP24_6_6a6b_4a_2a6b:As-Cr-Mn,24.0,A3BC2_mP24_6_6a6b_4a_2a6b:As-Cr-Mn +mp-1221644,MnCrAs,-7.8654391917,-0.040712136,0.1396696083,0.1396696083,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Cr-Mn,6.0,ABC_tP6_129_c_c_a:As-Cr-Mn +mp-1226926,Ce(Co5Mo)2,-7.6196946592,-0.026804865,0.0650019872,0.0650019872,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Ce-Co-Mo,13.0,AB10C2_oI26_71_a_efhk_g:Ce-Co-Mo +mp-1187376,TbSmRh2,-6.7992760525,-0.7788840588,0.01156061,0.01156061,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sm-Tb,4.0,A2BC_cF16_225_c_a_b:Rh-Sm-Tb +mp-1220153,Pr4ZrCo25,-6.887535973,-0.0415603555,0.0271714819,0.0271714819,GGA,Cmmm,A25B4C_oC60_65_ae2g5h2p_2h_c:Co-Pr-Zr,30.0,"Invalid WP multiplicities - A25B4C_oC60_65_a2e3g9h7p_3h_c:Co-Pr-Zr, expected Pr6ZrCo57 to be Pr4ZrCo25" +mp-1186743,Pr3Zr,-5.5619121637,0.16069231,0.16069231,0.16069231,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Zr,8.0,A3B_hP8_194_h_c:Pr-Zr +mp-28220,HfFeCl6,-5.55899646,-1.869192685,0.0055416956,0.0055416956,GGA,P-31c,A6BC_hP16_163_i_a_c:Cl-Fe-Hf,16.0,A6BC_hP16_163_i_a_c:Cl-Fe-Hf +mp-29422,HfCl4,-5.794366443,-2.324099309,0.0,-2.324099309,GGA,P2/c,A4B_mP10_13_2g_e:Cl-Hf,10.0,"Invalid WP multiplicities - A4B_mP10_13_3g_e:Cl-Hf, expected HfCl6 to be HfCl4" +mp-1206691,TbCu4Pd,-4.724853825,-0.3563413933,0.0,-0.0339265628,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Pd-Tb,6.0,A4BC_cF24_216_e_a_c:Cu-Pd-Tb +mp-1185511,LuHfCo2,-7.5078911875,-0.3341974025,0.0,-0.0027835352,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Lu,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Lu +mp-4989,CrNiAs,-6.91363779,-0.216203605,0.0,-0.0067435228,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Cr-Ni,9.0,ABC_hP9_189_ad_f_g:As-Cr-Ni +mp-1226031,Cr5NiAs3,-7.6263225289,-0.0682415017,0.0828013511,0.0828013511,GGA,Amm2,A3B5C_oC18_38_ae_ade_b:As-Cr-Ni,9.0,A3B5C_oC18_38_ae_ade_b:As-Cr-Ni +mp-1453,NdSe,-6.198339435,-2.0663099799,0.0,-0.2116906216,GGA,Fm-3m,AB_cF8_225_a_b:Nd-Se,2.0,AB_cF8_225_a_b:Nd-Se +mp-570707,NdSe2,-5.8596948308,-1.9397047016,0.0,-0.0168402581,GGA,P2_1/c,AB2_mP12_14_e_2e:Nd-Se,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_5e:Nd-Se, expected NdSe5 to be NdSe2" +mp-1018817,NdSe2,-5.839811605,-1.9198214757,0.0198832258,0.0030429678,GGA,P4/nmm,AB2_tP6_129_c_ac:Nd-Se,6.0,AB2_tP6_129_c_ac:Nd-Se +mp-568098,Nd3Se4,-6.1607204393,-2.119564981,0.0168469291,0.0168469291,GGA,I-43d,A3B4_cI28_220_a_c:Nd-Se,14.0,A3B4_cI28_220_a_c:Nd-Se +mp-673692,Nd10Se19,-5.9056463422,-1.9710328112,0.0181373028,0.0074215422,GGA,P-1,A10B19_aP58_2_10i_19i:Nd-Se,58.0,"Invalid WP multiplicities - A10B19_aP58_2_19i_38i:Nd-Se, expected NdSe2 to be Nd10Se19" +mp-14650,Nd10Se19,-5.923783645,-1.9891701139,0.0,-0.0107157606,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Nd-Se,58.0,A10B19_tP58_86_e2g_ae4g:Nd-Se +mp-32688,Nd2Se3,-6.1692585417,-2.1644526822,0.0,-0.0893753617,GGA,I-42d,A2B3_tI80_122_cde_3e:Nd-Se,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d5e_15e:Nd-Se, expected Nd17Se30 to be Nd2Se3" +mp-1103651,NdSbSe,-5.7450635075,-1.6140434574,0.0,-0.1028711271,GGA,Pnma,ABC_oP12_62_c_c_c:Nd-Sb-Se,12.0,ABC_oP12_62_c_c_c:Nd-Sb-Se +mp-7067,Ca(CdAs)2,-3.222472064,-0.588548822,0.0,-0.0763555076,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ca-Cd,5.0,A2BC2_hP5_164_d_a_d:As-Ca-Cd +mp-1191256,Ca2CdAs2,-3.760857114,-0.910391848,0.021480955,-0.0242029456,GGA,Cm,A2B2C_mC50_8_10a_10a_5a:As-Ca-Cd,25.0,A2B2C_mC50_8_10a_10a_5a:As-Ca-Cd +mp-1095180,Ca2CdAs2,-3.782338069,-0.931872803,0.0,-0.0456839006,GGA,Cmc2_1,A2B2C_oC20_36_2a_2a_a:As-Ca-Cd,10.0,A2B2C_oC20_36_2a_2a_a:As-Ca-Cd +mp-1104260,Ho(Mo3Se4)2,-7.4545164173,-0.9462763273,0.0560813878,0.0560813878,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ho-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Ho-Mo-Se +mp-977571,MgRh2Pb,-5.3337442475,-0.3233585325,0.0,-0.0512710625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Mg-Pb-Rh +mp-1095945,LaSnHg2,-1.115892465,1.2723424575,1.7546568783,1.7546568783,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-La-Sn,4.0,A2BC_oI8_71_e_a_b:Hg-La-Sn +mp-1096355,La2SnHg,-2.01986307,1.5264535375,2.1811467548,2.1811467548,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Sn,4.0,AB2C_oI8_71_a_e_b:Hg-La-Sn +mp-1185178,La2SnHg,-4.18986433,-0.6435477225,0.0111454948,0.0111454948,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-La-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-La-Sn +mp-1096208,Zn2IrAu,-1.98578475,1.6721661,1.8770401425,1.8770401425,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ir-Zn,4.0,ABC2_oI8_71_a_b_e:Au-Ir-Zn +mp-863711,ErGaRh2,-6.44137548,-0.8602678369000001,0.0,-0.0469119775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ga-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Ga-Rh +mp-1104574,Er3Ga8Rh3,-4.9848325429,-0.6976290986,0.0404859328,0.0404859328,GGA,Immm,A3B8C3_oI28_71_ag_2n_bf:Er-Ga-Rh,14.0,A3B8C3_oI28_71_ag_2n_bf:Er-Ga-Rh +mp-1103035,ErGaRh,-5.8962220683,-0.9095145008,0.0,-0.09713743,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ga-Rh,12.0,ABC_oP12_62_c_c_c:Er-Ga-Rh +mp-1213067,Er2(Ga3Rh)3,-4.8753004375,-0.6980700495000001,0.0,-0.0853004664,GGA,Cmcm,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Rh,28.0,A2B9C3_oC56_63_g_cfgh_ae:Er-Ga-Rh +mp-1212203,Ho5SbPd2,-5.4528386762,-0.777737525,0.0185626985,0.0185626985,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Ho-Pd-Sb,16.0,A5B2C_tI32_140_cl_h_a:Ho-Pd-Sb +mp-1200650,Ho5Sb2Pd,-5.3778951087,-0.8341540287,0.0511012508,0.0511012508,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Ho-Pd-Sb,32.0,A5BC2_oP32_62_3cd_c_d:Ho-Pd-Sb +mp-1212316,Ho3(SbPd2)4,-5.611554872,-0.8314024687,0.0,-0.01132147,GGA,Fm-3m,A3B8C4_cF120_225_e_2f_abd:Ho-Pd-Sb,30.0,A3B8C4_cF120_225_e_2f_abd:Ho-Pd-Sb +mp-567418,HoSbPd,-5.35227426,-0.72184362,0.2757552161,0.2757552161,GGA,F-43m,ABC_cF12_216_a_b_c:Ho-Pd-Sb,3.0,ABC_cF12_216_a_b_c:Ho-Pd-Sb +mp-977574,HoSbPd2,-5.6351351175,-0.8673416850000001,0.0280925616,0.0280925616,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Ho-Pd-Sb +mp-1096638,Al2CrIr,-4.1119000175,2.38375831,2.9558279763,2.9558279763,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cr-Ir,4.0,A2BC_oI8_71_e_a_b:Al-Cr-Ir +mp-864840,NbZnRu2,-7.7354151875,-0.257951755,0.0,-0.1037401475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Zn,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Zn +mp-1097117,MgCdRh2,-2.1717629775,2.14118341,2.3894911062,2.3894911062,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mg-Rh,4.0,ABC2_oI8_71_a_b_e:Cd-Mg-Rh +mp-1097393,Mg2CdRh,-1.35368616,1.5182532725,1.834726455,1.834726455,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Rh,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Rh +mp-1185762,Mg2CdRh,-3.1763801425,-0.30444071,0.0120324725,0.0120324725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Mg-Rh,4.0,AB2C_cF16_225_a_c_b:Cd-Mg-Rh +mp-1100771,TiTl3,-3.445713215,0.3001421492,0.3001421492,0.3001421492,GGA,Pm-3m,AB3_cP4_221_a_c:Ti-Tl,4.0,AB3_cP4_221_a_c:Ti-Tl +mp-865900,Ti3Tl,-6.505215155,0.0070646442,0.0070646442,0.0070646442,GGA,I4/mmm,A3B_tI8_139_ad_b:Ti-Tl,4.0,A3B_tI8_139_ad_b:Ti-Tl +mp-1097389,Sc2TiTl,-3.1002808375,2.6304875058,2.7693954972,2.7693954972,GGA,Immm,A2BC_oI8_71_e_a_b:Sc-Ti-Tl,4.0,A2BC_oI8_71_e_a_b:Sc-Ti-Tl +mp-1096021,ScTiTl2,-2.5953502125,2.1429616412,2.2124156369,2.2124156369,GGA,Immm,ABC2_oI8_71_a_b_e:Sc-Ti-Tl,4.0,ABC2_oI8_71_a_b_e:Sc-Ti-Tl +mp-1093797,TiBe2Pd,-2.6034770375000003,2.5350728517,2.9311021850000003,2.9311021850000003,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pd-Ti,4.0,A2BC_oI8_71_e_a_b:Be-Pd-Ti +mp-1212206,Ho5(SiSb)2,-5.6072366556,-0.93827189,0.0,-0.0198365558,GGA,Cmce,A5B2C2_oC36_64_ag_d_f:Ho-Sb-Si,18.0,A5B2C2_oC36_64_ag_d_f:Ho-Sb-Si +mp-1093892,TaInOs2,-5.5843807925,3.6816682625,3.8216663745,3.8216663745,GGA,Immm,AB2C_oI8_71_a_e_b:In-Os-Ta,4.0,AB2C_oI8_71_a_e_b:In-Os-Ta +mp-1220357,NbReMo,-11.1915716033,-0.0610774917,0.0323153533,0.0323153533,GGA,Fmm2,ABC_oF12_42_a_a_a:Mo-Nb-Re,3.0,ABC_oF12_42_a_a_a:Mo-Nb-Re +mp-1097592,NbReMo2,-6.51956736,4.5397157513,4.609760385,4.609760385,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Nb-Re,4.0,A2BC_oI8_71_e_a_b:Mo-Nb-Re +mp-1096658,Nb2ReMo,-6.371728835,4.5014680087,4.60866242,4.60866242,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-Re,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-Re +mp-1097320,NbRe2Mo,-6.854392445,4.604609935,4.6788314281000005,4.6788314281000005,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-Re,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-Re +mp-1205464,Gd6CoCl10,-8.7807924065,-2.3072384162,0.0,-0.1490938519,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Cl-Co-Gd,17.0,A10BC6_aP17_2_5i_a_3i:Cl-Co-Gd +mp-1185402,LiMn,-5.15882183,0.3766472494,0.3766472494,0.3766472494,GGA,P-6m2,AB_hP2_187_a_d:Li-Mn,2.0,AB_hP2_187_a_d:Li-Mn +mp-1097473,LiMnIr2,-4.4779511450000005,2.7090004847,2.9205359656,2.9205359656,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Li-Mn,4.0,A2BC_oI8_71_e_a_b:Ir-Li-Mn +mp-1185360,LiMnIr2,-7.3807107125,-0.1937590828,0.0177763981,0.0177763981,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Mn,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Mn +mp-1189916,Zr5CdPb3,-6.3375631622,-0.24874826,0.0,-0.112299897,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cd-Pb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Cd-Pb-Zr +mp-1227385,Ca(HoTe2)2,-5.0925225257,-1.7005737838,0.0095443179,0.0095443179,GGA,P2/m,AB2C4_mP7_10_c_bd_mn:Ca-Ho-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Ca-Ho-Te, expected Ca(HoTe4)2 to be Ca(HoTe2)2" +mp-1097292,Nb2FeTc,-5.839967965,3.9183495937,4.0455237363,4.0455237363,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Nb-Tc,4.0,AB2C_oI8_71_a_e_b:Fe-Nb-Tc +mp-1097634,NbFeTc2,-5.9389827075,3.8841683275,3.9670985606,3.9670985606,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Nb-Tc,4.0,ABC2_oI8_71_a_b_e:Fe-Nb-Tc +mp-865200,MnGa2Tc,-6.48667763,-0.0919660595,0.0282279446,0.0282279446,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Mn-Tc,4.0,A2BC_cF16_225_c_a_b:Ga-Mn-Tc +mp-631472,InFeAs,-4.5556545033,0.7379532783,0.8903949633,0.8903949633,GGA,F-43m,ABC_cF12_216_a_b_c:As-Fe-In,3.0,ABC_cF12_216_a_b_c:As-Fe-In +mp-1187693,YbEuPd2,-6.2871972125,-0.7481037875000001,0.0324518038,0.0324518038,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Pd-Yb,,AB2C_cF16_225_a_c_b:Eu-Pd-Yb +mp-1188308,Er5SbAu2,-4.9549600756,-0.7655401644000001,0.0280494269,0.0280494269,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:Au-Er-Sb,16.0,A2B5C_tI32_140_h_cl_a:Au-Er-Sb +mp-1105695,Er3Sb4Au3,-4.8593161145,-0.8552353755000001,0.0,-0.0814406173,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Au-Er-Sb,20.0,A3B3C4_cI40_220_a_b_c:Au-Er-Sb +mp-1096367,Sc2NiPd,-4.0467130625,1.8595261125,2.56700004,2.56700004,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Ni-Pd-Sc +mp-1186955,Sc2NiPd,-6.5945445750000005,-0.6883054,0.0191685275,0.0191685275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Ni-Pd-Sc +mp-977404,Nd2AgIr,-5.7555677575,-0.4537464954,0.0481675812,0.0481675812,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Nd,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Nd +mp-1212667,Ge19(SbBr)4,-4.2997285456,-0.2047045631,0.0069750431,0.0069750431,GGA,P-43n,A4B19C4_cP54_218_ac_dei_e:Br-Ge-Sb,54.0,A4B19C4_cP54_218_ac_dei_e:Br-Ge-Sb +mp-1103073,Sb2Br9,-2.8853181227,-0.8639310818,0.0,-0.0845652586,GGA,P-3m1,A9B2_hP11_164_ei_d:Br-Sb,11.0,A9B2_hP11_164_ei_d:Br-Sb +mp-570005,SbBr3,-3.2686495644,-1.0716280069,0.0,-0.2796911819,GGA,Pnma,A3B_oP16_62_cd_c:Br-Sb,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c3d_c:Br-Sb, expected SbBr9 to be SbBr3" +mp-862979,Pm2AgGe,-4.76554167,-0.5263745442000001,0.0,-0.2201401723,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ge-Pm,4.0,ABC2_cF16_225_a_b_c:Ag-Ge-Pm +mp-1184354,Gd2IrAu,-10.85027094,-0.7841307750000001,0.0,-0.1762764378,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Gd-Ir,4.0,AB2C_cF16_225_a_c_b:Au-Gd-Ir +mp-865460,CaCeAg2,-3.601596505,-0.2006462446,0.0373394925,0.0373394925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Ce,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Ce +mp-867840,BeFeRh2,-7.0607168225,-0.3262043688,0.0,-0.0003715,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Fe-Rh,4.0,ABC2_cF16_225_a_b_c:Be-Fe-Rh +mp-1212909,Er4CdIr,-5.2107067154,-0.5386735187,0.0,-0.0222856029,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Er-Ir,24.0,AB4C_cF96_216_e_efg_e:Cd-Er-Ir +mp-30922,Ho6CoBi2,-5.16588692,-0.4676925561,0.0291578181,0.0291578181,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Ho,9.0,"Invalid WP multiplicities - A2BC6_hP9_189_c_b_2f2g:Bi-Co-Ho, expected Ho12CoBi2 to be Ho6CoBi2" +mp-570022,Ho5Co2Bi,-5.4807122456,-0.3595661119,0.0298695485,0.0298695485,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Co-Ho,16.0,"Invalid WP multiplicities - AB2C5_tI32_140_a_h_2c2l:Bi-Co-Ho, expected Ho10Co2Bi to be Ho5Co2Bi" +mp-1212341,Ho5CoBi2,-5.2716242216,-0.5589566709,0.0,-0.0255780387,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Bi-Co-Ho,32.0,A2BC5_oP32_62_d_c_3cd:Bi-Co-Ho +mp-1212429,Ho12Co5Bi,-5.5375907756,-0.2947583008,0.0,-0.0266886887,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Ho,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Ho +mp-1206945,Gd2Ni2Sn,-9.325318046,-0.580900107,0.0,-0.111317195,GGA,Immm,A2B2C_oI10_71_e_g_c:Gd-Ni-Sn,5.0,A2B2C_oI10_71_e_g_c:Gd-Ni-Sn +mp-569384,PrMgSi2,-4.7977940175,-0.4898385513,0.0,-0.043356127,GGA,I4_1/amd,ABC2_tI32_141_e_e_2e:Mg-Pr-Si,16.0,"Invalid WP multiplicities - ABC2_tI32_141_e_e_5e:Mg-Pr-Si, expected PrMgSi5 to be PrMgSi2" +mp-1210440,Pr2MgSi4,-4.7000295975,-0.0052633575,0.5127127146,0.5127127146,GGA,I4_1/amd,AB2C4_tI56_141_c_h_2h:Mg-Pr-Si,28.0,AB2C4_tI56_141_c_h_2h:Mg-Pr-Si +mp-1205589,Pr2MgSi2,-5.034117753,-0.631572229,0.0,-0.0629743442,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Mg-Pr-Si,10.0,AB2C2_tP10_127_a_h_g:Mg-Pr-Si +mp-975578,Li2SnHg,-2.3725946775,-0.3398201892,0.010015365,0.010015365,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Hg-Li-Sn +mp-1096075,LiSnHg2,-0.9561466225,0.6753172404000001,0.8622192999999999,0.8622192999999999,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Sn,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Sn +mp-1186034,Na3Ag,-1.690119135,0.0099138359,0.0474740303,0.0474740303,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-Na,4.0,AB3_tI8_139_a_bd:Ag-Na +mp-1186033,Na3Ag,-1.6899133762,0.0101195947,0.047679789,0.047679789,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ag-Na,8.0,AB3_hP8_194_c_h:Ag-Na +mp-1186017,Na3Ag,-1.69241164,0.0076213309,0.0451815253,0.0451815253,GGA,Fm-3m,AB3_cF16_225_a_bc:Ag-Na,4.0,AB3_cF16_225_a_bc:Ag-Na +mp-1210281,Na4Ag,-1.456535169,0.1679962664,0.1980444219,0.1980444219,GGA,Fd-3m,AB4_cF40_227_a_e:Ag-Na,10.0,AB4_cF40_227_a_e:Ag-Na +mp-30352,NaAg2,-2.4293729517,-0.1001605183,0.0,-0.0975120368,GGA,Fd-3m,A2B_cF24_227_c_b:Ag-Na,6.0,A2B_cF24_227_c_b:Ag-Na +mp-973174,NaAg3,-2.4580278675,-0.0029795416,0.0721408471,0.0721408471,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Na,4.0,A3B_tI8_139_ad_b:Ag-Na +mp-1186100,NaAg3,-2.4510610975,0.0039872284,0.0791076171,0.0791076171,GGA,Pm-3m,A3B_cP4_221_c_a:Ag-Na,4.0,A3B_cP4_221_c_a:Ag-Na +mp-1097612,NaAg2Sn,-1.5336936725,1.2156086163,1.3255315807,1.3255315807,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Na-Sn,4.0,A2BC_oI8_71_e_a_b:Ag-Na-Sn +mp-1186102,NaAg2Sn,-2.856523895,-0.1072216062,0.0027013582,0.0027013582,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Na-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-Na-Sn +mp-1095934,Ba2ZnAu,-1.1626588375,0.930235035,1.3830029929,1.3830029929,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ba-Zn,4.0,AB2C_oI8_71_a_e_b:Au-Ba-Zn +mp-1222164,Mg4HgAu,-2.0134719367,-0.3503581758,0.0061087959,0.0061087959,GGA,Pmc2_1,ABC4_oP12_26_a_b_2a2b:Au-Hg-Mg,12.0,ABC4_oP12_26_a_b_2a2b:Au-Hg-Mg +mp-1097241,Mg2HgAu,-1.07028413,0.6242464863,1.0354486275,1.0354486275,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-Mg,4.0,ABC2_oI8_71_a_b_e:Au-Hg-Mg +mp-1185760,Mg2HgAu,-2.1041887475,-0.4096581312,0.00154401,0.00154401,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Mg,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Mg +mp-1222137,Mg3HgAu2,-2.4176430117,-0.4755955925,0.0009008183,0.0009008183,GGA,P4/mmm,A2BC3_tP6_123_g_a_dh:Au-Hg-Mg,6.0,"Invalid WP multiplicities - A2BC3_tP6_123_g_a_d2h:Au-Hg-Mg, expected Mg5HgAu2 to be Mg3HgAu2" +mp-1217618,TbGdAl6,-5.5842162963,-0.4362233813,0.0,-0.0006790087,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-Gd-Tb,8.0,A6BC_hP8_187_jk_a_d:Al-Gd-Tb +mp-1206281,LiAlAu,-3.3178619233,-0.3417350244,0.0999111629,0.0999111629,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Au-Li,6.0,ABC_hP6_194_c_a_d:Al-Au-Li +mp-1096348,Li2AlAu,-1.7615294375,0.9477964533,1.3370010144,1.3370010144,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Au-Li,4.0,ABC2_oI8_71_a_b_e:Al-Au-Li +mp-1097228,LiAl2Au,-1.921717425,1.2467717067,1.6176773962,1.6176773962,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Au-Li,4.0,A2BC_oI8_71_e_a_b:Al-Au-Li +mp-1185321,LiAl2Au,-3.5229697175,-0.3544805858,0.0164251037,0.0164251037,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Au-Li,4.0,A2BC_cF16_225_c_a_b:Al-Au-Li +mp-862717,LiAlAu2,-3.602326725,-0.5517610508,0.0,-0.08287849,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Li,4.0,AB2C_cF16_225_a_c_b:Al-Au-Li +mp-865948,Ti2ReRh,-9.5572981125,-0.6573433404,0.0,-0.087687875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Rh-Ti,4.0,ABC2_cF16_225_a_b_c:Re-Rh-Ti +mp-1192935,PuCu6,-5.5696454021,-0.0177770664,0.0,-0.0177770664,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Pu,28.0,A6B_oP28_62_4cd_c:Cu-Pu +mp-20751,Pu(CuSi)2,-7.067523868,-0.404146322,0.0,-0.14070015,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Pu-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Pu-Si +mp-1228313,Ba4Si21Au2,-4.9301060993,-0.1836119367,0.0338247541,0.0338247541,GGA,Ama2,A2B4C21_oC108_40_ab_a3b_5b8c:Au-Ba-Si,54.0,"Invalid WP multiplicities - A2B4C21_oC108_40_2ab_2a3b_9b28c:Au-Ba-Si, expected Ba5Si65Au3 to be Ba4Si21Au2" +mp-1228346,Ba2Si3Au,-4.3380071017,-0.4400427733,0.0,-0.0058835406,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Au-Ba-Si,6.0,AB2C3_hP6_187_a_i_bcd:Au-Ba-Si +mp-17815,Ba4Si20Au3,-4.8989467206,-0.2321353739,0.0039100721,0.0039100721,GGA,Pm-3n,A3B4C20_cP54_223_c_ad_ik:Au-Ba-Si,54.0,A3B4C20_cP54_223_c_ad_ik:Au-Ba-Si +mp-1228259,Ba8Si43Au3,-4.9944678837000005,-0.2081323131,0.0,-0.0178778393,GGA,R32,A3B8C43_hR162_155_d_cde_2ce6f:Au-Ba-Si,54.0,"Invalid WP multiplicities - A3B8C43_hR162_155_d_cde_4ce27f:Au-Ba-Si, expected Ba8Si173Au3 to be Ba8Si43Au3" +mp-1228316,Ba4Si22Au,-5.0024711524,-0.1762941739,0.0088152574,0.0088152574,GGA,Ama2,AB4C22_oC108_40_b_a3b_a5b8c:Au-Ba-Si,54.0,"Invalid WP multiplicities - AB4C22_oC108_40_b_2a3b_2a9b28c:Au-Ba-Si, expected Ba5Si67Au to be Ba4Si22Au" +mp-1227729,BaSiAu,-4.09481687,-0.5554252133,0.0,-0.0152464478,GGA,P-6m2,ABC_hP3_187_a_d_e:Au-Ba-Si,3.0,ABC_hP3_187_a_d_e:Au-Ba-Si +mp-862946,Li2PmSi,-3.7825083275,-0.284081806,0.0028136074,0.0028136074,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pm-Si,4.0,A2BC_cF16_225_c_a_b:Li-Pm-Si +mp-863697,LiPm2Si,-4.5462660925,-0.3374347071,0.0,-0.0769494625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pm-Si,4.0,AB2C_cF16_225_a_c_b:Li-Pm-Si +mp-971768,Ti3Br,-6.1674342837000005,0.1424418113,0.7136232441,0.7136232441,GGA,P6_3/mmc,AB3_hP8_194_c_h:Br-Ti,8.0,AB3_hP8_194_c_h:Br-Ti +mp-27634,TiBr4,-4.5468592225,-1.7253381552,0.0005653397,-0.3750783765,GGA,P2_1/c,A4B_mP20_14_4e_e:Br-Ti,20.0,A4B_mP20_14_4e_e:Br-Ti +mp-569814,TiBr4,-4.5474245622,-1.7259034949,0.0,-0.3756437162,GGA,Pa-3,A4B_cP40_205_cd_c:Br-Ti,40.0,"Invalid WP multiplicities - A4B_cP40_205_6c6d_c:Br-Ti, expected TiBr24 to be TiBr4" +mp-28214,TiBr3,-4.826468975,-1.6878247233,0.0,-0.0273414092,GGA,P-1,A3B_aP8_2_3i_i:Br-Ti,8.0,A3B_aP8_2_3i_i:Br-Ti +mp-571065,TiBr3,-4.8235809163,-1.6849366646,0.0028880587,-0.0244533505,GGA,R-3,A3B_hR24_148_f_c:Br-Ti,8.0,A3B_hR24_148_f_c:Br-Ti +mp-27785,TiBr2,-5.1168904767,-1.4497075844,0.0734429032,0.0734429032,GGA,P-3m1,A2B_hP3_164_d_a:Br-Ti,3.0,A2B_hP3_164_d_a:Br-Ti +mp-541826,Ti(AlBr4)2,-4.085614455,-1.5573535171,0.0234076193,0.0234076193,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Br-Ti,22.0,A2B8C_mC44_15_f_4f_e:Al-Br-Ti +mp-608551,Ti(AlBr4)2,-4.0554011005,-1.5271401626,0.0536209739,0.0536209739,GGA,Pnnm,A2B8C_oP22_58_g_2gh_a:Al-Br-Ti,22.0,"Invalid WP multiplicities - A2B8C_oP22_58_g_8g5h_a:Al-Br-Ti, expected Ti(AlBr18)2 to be Ti(AlBr4)2" +mp-540672,Ti7Br16,-5.072717787,-1.5893744219,0.0,-0.0238558379,GGA,Pnnm,A16B7_oP46_58_4g2h_agh:Br-Ti,46.0,A16B7_oP46_58_4g2h_agh:Br-Ti +mp-977364,HoPaOs2,-9.36388164,-0.2259295425,0.0202570931,0.0202570931,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Os-Pa,4.0,AB2C_cF16_225_a_c_b:Ho-Os-Pa +mp-1096383,GaReTc2,-5.37735686,3.6711184144,3.71941828,3.71941828,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Re-Tc,4.0,ABC2_oI8_71_a_b_e:Ga-Re-Tc +mp-865334,Lu2NiOs,-6.94408077,-0.4317294825,0.0137949967,0.0137949967,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Ni-Os,4.0,A2BC_cF16_225_c_a_b:Lu-Ni-Os +mp-1186406,PaTc2Sn,-8.7885014475,-0.2271228463,0.0,-0.2271228462,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pa-Sn-Tc,4.0,ABC2_cF16_225_a_b_c:Pa-Sn-Tc +mp-977558,MgPaRu2,-7.8101307275,-0.39419328,0.0,-0.334491986,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pa-Ru,4.0,ABC2_cF16_225_a_b_c:Mg-Pa-Ru +mp-1079698,CeSb2Au,-5.16793037,-0.8016869612,0.0,-0.1058290722,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Au-Ce-Sb,8.0,ABC2_tP8_129_a_c_bc:Au-Ce-Sb +mp-569941,Ce3Sb3Au2,-5.5288752962,-0.9371208981,0.0223435262,0.0223435262,GGA,P6_3/mmc,A2B3C3_hP16_194_e_cf_af:Au-Ce-Sb,16.0,"Invalid WP multiplicities - A2B3C3_hP16_194_e_cf_2a2f:Au-Ce-Sb, expected Ce3(Sb3Au)2 to be Ce3Sb3Au2" +mp-1095307,CeSbAu,-5.339816835,-0.8944927033000001,0.0,-0.0387924435,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Au-Ce-Sb,12.0,ABC_hP12_194_f_ab_f:Au-Ce-Sb +mp-1018676,CeSbAu,-5.24688622,-0.8015620883,0.092930615,0.0541381715,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ce-Sb,6.0,ABC_hP6_194_c_a_d:Au-Ce-Sb +mp-1226895,Ce2SbAu3,-5.05307101,-0.7502667517,0.0238804475,0.0238804475,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Au-Ce-Sb,6.0,A3B2C_oP6_25_a2b_cd_a:Au-Ce-Sb +mp-972960,La2IrAu,-6.20458075,-0.7084981525,0.0571087125,0.0571087125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-La,4.0,ABC2_cF16_225_a_b_c:Au-Ir-La +mp-1103374,BiOsSe,-6.3393079783,-0.1513852991,0.2353471514,0.2353471514,GGA,P2_1/c,ABC_mP12_14_e_e_e:Bi-Os-Se,12.0,ABC_mP12_14_e_e_e:Bi-Os-Se +mp-862816,PaGe3,-6.302148755,-0.4562116988,0.0,-0.35928795,GGA,Pm-3m,A3B_cP4_221_c_a:Ge-Pa,4.0,A3B_cP4_221_c_a:Ge-Pa +mp-1186412,PaTc2Ge,-8.97355534,-0.2588127388,0.0,-0.0720670025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:Ge-Pa-Tc +mp-862864,Pa3Ge,-8.582526705,-0.2907712462,0.0,-0.13870068,GGA,Pm-3m,AB3_cP4_221_a_c:Ge-Pa,4.0,AB3_cP4_221_a_c:Ge-Pa +mp-1219992,Pr2Cr2Co15,-7.1085470916,0.0226462439,0.0568426393,0.0568426393,GGA,C2/m,A15B2C2_mC38_12_ah2i2j_f_i:Co-Cr-Pr,19.0,"Invalid WP multiplicities - A15B2C2_mC38_12_a2h3i3j_e_i:Co-Cr-Pr, expected Pr2Cr2Co23 to be Pr2Cr2Co15" +mp-1189359,Pr2Cr3Co14,-7.2277267079,0.0373997684,0.0696658042,0.0696658042,GGA,R-3m,A14B3C2_hR57_166_cfh_d_c:Co-Cr-Pr,19.0,A14B3C2_hR57_166_cfh_d_c:Co-Cr-Pr +mp-1018763,Li3DySb2,-3.9776903933,-0.8790974067,0.0,-0.01906062,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Dy-Li-Sb,6.0,AB3C2_hP6_164_a_bd_d:Dy-Li-Sb +mp-1093959,In2PdPt,-3.048190015,1.1404056325,1.6304943885,1.6304943885,GGA,Immm,A2BC_oI8_71_e_a_b:In-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:In-Pd-Pt +mp-619071,PbCl2,-4.00778769,-1.5378808933,0.023061155,-0.6149091492000001,GGA,P2_1/c,A2B_mP24_14_4e_2e:Cl-Pb,24.0,A2B_mP24_14_12e_6e:Cl-Pb +mp-23291,PbCl2,-4.0248967125,-1.5549899158,0.0059521325,-0.6320181717000001,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Pb,12.0,A2B_oP12_62_2c_c:Cl-Pb +mp-862871,PbCl2,-4.030848845,-1.5609420483,0.0,-0.6379703042,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Pb,6.0,A2B_tP6_136_f_a:Cl-Pb +mp-570355,PbCl4,-3.328924835,-1.107566093,0.0,-0.171000864,GGA,C2/c,A4B_mC20_15_2f_e:Cl-Pb,10.0,"Invalid WP multiplicities - A4B_mC20_15_4f_e:Cl-Pb, expected PbCl8 to be PbCl4" +mp-998535,InPbCl3,-3.769079058,-1.367090902,0.0177251736,0.0177251736,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-In-Pb,5.0,A3BC_mC10_8_ab_a_a:Cl-In-Pb +mp-975880,PrSmMg2,-3.274624845,-0.0996118475,0.0066342325,0.0066342325,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pr-Sm,4.0,A2BC_cF16_225_c_a_b:Mg-Pr-Sm +mp-866000,CaLaCd2,-2.5765177825,-0.3796711562,0.0,-0.0403394275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-La,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-La +mp-1200409,La2ZrSe5,-6.5697960719,-2.0823870433,0.0,-0.0202380308,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-Se-Zr,32.0,A2B5C_oP32_62_d_3cd_c:La-Se-Zr +mp-1200676,Th4Fe13Sn5,-7.4791015952,-0.2148485041,0.0158632291,0.0158632291,GGA,P4/mbm,A13B5C4_tP44_127_cj2k_ak_eg:Fe-Sn-Th,44.0,A13B5C4_tP44_127_cj2k_ak_eg:Fe-Sn-Th +mp-1217641,Th4FeSn8,-5.8639253046,-0.4637692238,0.0324612085,0.0324612085,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Sn-Th,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Sn-Th +mp-1183588,CaYbHg2,-1.6270531375,-0.588910915,0.00604788,0.00604788,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Yb,,AB2C_cF16_225_a_c_b:Ca-Hg-Yb +mp-861940,Ca2CdSn,-2.7964873225,-0.5605719787,0.0,-0.0263284974,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Sn,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Sn +mp-568695,CaCdSn,-2.8121039022,-0.4994167372,0.0,-0.0570622924,GGA,P-62m,ABC_hP9_189_f_g_ad:Ca-Cd-Sn,9.0,ABC_hP9_189_f_g_ad:Ca-Cd-Sn +mp-1100411,CaCdSn,-2.72194021,-0.409253045,0.0901636922,0.0331013999,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Cd-Sn,3.0,ABC_cF12_216_a_c_b:Ca-Cd-Sn +mp-1103008,EuMgPb,-5.6442422458,-0.4542659392,0.0,-0.0987500744,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Mg-Pb,12.0,ABC_oP12_62_c_c_c:Eu-Mg-Pb +mp-1195068,Ba3Ta2Se9,-5.9302675391,-1.5777187263,0.0,-0.0233585187,GGA,P2_1/c,A3B9C2_mP56_14_3e_9e_2e:Ba-Se-Ta,56.0,A3B9C2_mP56_14_3e_9e_2e:Ba-Se-Ta +mp-1183300,Ba3Se,-2.9095040275,-0.5962949531,0.5455859375000001,0.5455859375000001,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Se,4.0,A3B_cP4_221_c_a:Ba-Se +mp-7548,BaSe3,-4.4929550812,-1.391277738,0.0,-0.1100719743,GGA,P-42_1m,AB3_tP8_113_a_ce:Ba-Se,8.0,"Invalid WP multiplicities - AB3_tP8_113_a_c2e:Ba-Se, expected BaSe5 to be BaSe3" +mp-10680,BaSe,-4.789942905,-2.0824996962,0.201262085,-0.8012939325,GGA,Pm-3m,AB_cP2_221_a_b:Ba-Se,2.0,AB_cP2_221_a_b:Ba-Se +mp-1253,BaSe,-4.99120499,-2.2837617812,0.0,-1.0025560175,GGA,Fm-3m,AB_cF8_225_a_b:Ba-Se,2.0,AB_cF8_225_a_b:Ba-Se +mp-1078588,BaTaSe3,-6.417136059,-1.5642386584,0.029148675,0.029148675,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-Se-Ta,10.0,AB3C_hP10_194_c_h_a:Ba-Se-Ta +mp-7547,BaSe2,-4.6785403167,-1.7082743516,0.0,-0.0195019325,GGA,C2/c,AB2_mC12_15_e_f:Ba-Se,6.0,AB2_mC12_15_e_f:Ba-Se +mp-864653,HoMgAu2,-3.9687766575,-0.7861634275,0.0,-0.036646815,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ho-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Ho-Mg +mp-865401,Tm2ZnTc,-5.344844285,-0.2018309346,0.070032871,0.070032871,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tc-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Tc-Tm-Zn +mp-1096595,Sr2LiZn,-0.47650096,1.1604123858,1.2697526192,1.2697526192,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Li-Sr-Zn +mp-1095812,LaZnHg2,-0.5970960425,1.1036818187,1.5187069694000002,1.5187069694000002,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-La-Zn,4.0,A2BC_oI8_71_e_a_b:Hg-La-Zn +mp-1095780,La2ZnHg,-0.9748305475,1.8840289987,2.2918152275,2.2918152275,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Zn,4.0,AB2C_oI8_71_a_e_b:Hg-La-Zn +mp-1185102,La2ZnHg,-3.251560905,-0.3927013588,0.01508487,0.01508487,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-La-Zn,4.0,AB2C_cF16_225_a_c_b:Hg-La-Zn +mp-13025,YbZnPd,-3.4003201125,-0.7405755458000001,0.0,-0.1035494454,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Yb-Zn,,ABC_oP12_62_c_c_c:Pd-Yb-Zn +mp-1187799,YbZnPd2,-3.9943959825,-0.7046171050000001,0.0137061175,0.0137061175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Yb-Zn,,A2BC_cF16_225_c_a_b:Pd-Yb-Zn +mp-1217428,Tc3Pt,-9.3568691575,-0.0686066187,0.1952188888,-0.0364882767,GGA,P-6m2,AB3_hP4_187_a_bh:Pt-Tc,4.0,AB3_hP4_187_a_bh:Pt-Tc +mp-867281,Tc3Pt,-9.5520880463,-0.2638255075,0.0,-0.2317071654,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pt-Tc,8.0,AB3_hP8_194_c_h:Pt-Tc +mp-865928,Ti2TcPt,-8.7937752925,-0.7380862179000001,0.0,-0.0296855713,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Pt-Tc-Ti +mp-1217413,TcPt,-8.25513987,-0.0392537375,0.1408365294,0.1408365294,GGA,R-3m,AB_hR6_166_a_b:Pt-Tc,2.0,AB_hR6_166_a_b:Pt-Tc +mp-1187458,TcPt,-8.27245022,-0.0565640875,0.1235261794,0.1235261794,GGA,P-6m2,AB_hP2_187_a_d:Pt-Tc,2.0,AB_hP2_187_a_d:Pt-Tc +mp-972326,TcPt3,-7.2398647525,-0.0963550262,0.0,-0.0084131904,GGA,I4/mmm,A3B_tI8_139_ad_b:Pt-Tc,4.0,A3B_tI8_139_ad_b:Pt-Tc +mp-1097648,HfTiCo2,-4.9367503325,3.0805788267,3.4814034662,3.4814034662,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Hf-Ti,4.0,A2BC_oI8_71_e_a_b:Co-Hf-Ti +mp-1096625,SiTc2Ge,-4.9007057375,2.7917002062,3.0358946794,3.0358946794,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Si-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Si-Tc +mp-1208581,Tb2Hf3Si4,-7.5593980986,-0.7992234975,0.0,-0.0207121453,GGA,P4_12_12,A3B4C2_tP36_92_ab_2b_b:Hf-Si-Tb,36.0,A3B4C2_tP36_92_ab_2b_b:Hf-Si-Tb +mp-22480,GdScSi,-9.2514143683,-0.6401112433,0.0,-0.0339193558,GGA,I4/mmm,ABC_tI12_139_e_c_e:Gd-Sc-Si,6.0,ABC_tI12_139_e_c_e:Gd-Sc-Si +mp-1213579,Gd2Sc3Si4,-8.4238268972,-0.7737242400000001,0.0,-0.0127265292,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Gd-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Gd-Sc-Si +mp-1093651,CuSiIr2,-4.0906821775,2.7096660875,3.0760606063,3.0760606063,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Ir-Si,4.0,AB2C_oI8_71_a_e_b:Cu-Ir-Si +mp-631567,AgAsRu2,-5.9943604875,0.5157593846,0.6646810815,0.6646810815,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-As-Ru,4.0,ABC2_cF16_216_a_c_bd:Ag-As-Ru +mp-1183178,AgAs,-3.5218852,0.2239520042,0.2239520042,0.2239520042,GGA,Pmma,AB_oP4_51_e_f:Ag-As,4.0,AB_oP4_51_e_f:Ag-As +mp-1183202,Ag3As,-3.194804605,0.0943919987,0.0943919987,0.0943919987,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-As,4.0,A3B_tI8_139_ad_b:Ag-As +mp-1183193,Ag3As,-3.2007996262,0.0883969775,0.0883969775,0.0883969775,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-As,8.0,A3B_hP8_194_h_c:Ag-As +mp-867139,LiEr2Tc,-5.41514086,-0.0638910021,0.0211018695,0.0211018695,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Li-Tc,4.0,A2BC_cF16_225_c_a_b:Er-Li-Tc +mp-1220194,NdMnIn,-5.5885593867,-0.0279439018,0.2980280774,0.2980280774,GGA,P-6m2,ABC_hP3_187_a_c_f:In-Mn-Nd,3.0,ABC_hP3_187_a_c_f:In-Mn-Nd +mp-1225523,Er3Th,-5.24136907,0.0378846,0.0378846,0.0378846,GGA,P-6m2,A3B_hP4_187_ah_b:Er-Th,4.0,A3B_hP4_187_ah_b:Er-Th +mp-1225448,ErTh,-5.96753309,0.02325544,0.02325544,0.02325544,GGA,R-3m,AB_hR6_166_a_b:Er-Th,2.0,AB_hR6_166_a_b:Er-Th +mp-1184246,ErThRu2,-8.0956648075,-0.4630692725,0.0,-0.0072894816,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Th,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Th +mp-1095731,Li2AsAu,-2.3496082475,0.5881032871,1.108819629,1.108819629,GGA,Immm,ABC2_oI8_71_a_b_e:As-Au-Li,4.0,ABC2_oI8_71_a_b_e:As-Au-Li +mp-1186359,NdDyIn2,-4.1903595375,-0.4707841044,0.0,-0.0017742775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Nd,4.0,AB2C_cF16_225_a_c_b:Dy-In-Nd +mp-1223854,HoCoRu,-7.2693141567,-0.280937755,0.0030808529,0.0030808529,GGA,Imma,ABC_oI12_74_a_e_c:Co-Ho-Ru,6.0,ABC_oI12_74_a_e_c:Co-Ho-Ru +mp-1184724,Ho2CoRu,-6.6665287975,-0.2796442787,0.0324748105,0.0324748105,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ho-Ru,4.0,AB2C_cF16_225_a_c_b:Co-Ho-Ru +mp-1184134,Er2CdOs,-5.570312365,-0.2488886625,0.0724644998,0.0724644998,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Er-Os,4.0,AB2C_cF16_225_a_c_b:Cd-Er-Os +mp-978547,SmLuIn2,-4.1189736975,-0.4332476688,0.0073565262,0.0073565262,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Sm,4.0,A2BC_cF16_225_c_a_b:In-Lu-Sm +mp-867361,CeTlAu2,-4.23098343,-0.5201093546000001,0.0,-0.0508798825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Tl,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Tl +mp-571439,Ce10Ga5Br4,-5.1403346545,-0.8938354449,0.0248845094,0.0248845094,GGA,I4/mcm,A4B10C5_tI76_140_fh_f2l_al:Br-Ce-Ga,38.0,"Invalid WP multiplicities - A4B10C5_tI76_140_2f2h_4f12l_2a2l:Br-Ce-Ga, expected Ce28Ga5Br4 to be Ce10Ga5Br4" +mp-984727,Ce3Br,-5.2165527425,-0.3784787937,0.410657327,0.410657327,GGA,Pm-3m,AB3_cP4_221_a_c:Br-Ce,4.0,AB3_cP4_221_a_c:Br-Ce +mp-30944,Ce4Ga5Br2,-4.8111011855,-0.9948381498,0.0,-0.0105705821,GGA,Cmmm,A2B4C5_oC44_65_gj_hjp_gpq:Br-Ce-Ga,22.0,A2B4C5_oC44_65_gj_hjp_gpq:Br-Ce-Ga +mp-1104603,Ce2Br5,-5.0591489107,-2.2546746307,0.0,-0.0397470426,GGA,P2_1/m,A5B2_mP14_11_5e_2e:Br-Ce,14.0,A5B2_mP14_11_5e_2e:Br-Ce +mp-569898,Ce3GaBr3,-5.1126386114,-1.4717174004,0.0195761674,0.0195761674,GGA,Pm-3m,A3B3C_cP7_221_c_d_a:Br-Ce-Ga,7.0,A3B3C_cP7_221_c_d_a:Br-Ce-Ga +mp-569850,CeBr3,-4.9737175037,-2.3256739675,0.0,-0.3528336656,GGA,P6_3/m,A3B_hP8_176_h_c:Br-Ce,8.0,A3B_hP8_176_h_c:Br-Ce +mp-20502,GdCuSb2,-7.3505968425,-0.7422639950000001,0.0,-0.0527188025,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Gd-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-Gd-Sb +mp-1189617,Gd3Cu3Sb4,-7.9316534,-0.827454231,0.0,-0.027076281,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-Gd-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-Gd-Sb +mp-867786,ScNbOs2,-10.1540323775,-0.4319051262,0.0,-0.0986067704,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Os-Sc,4.0,AB2C_cF16_225_a_c_b:Nb-Os-Sc +mp-1217356,ThCo2Ni3,-6.7969888933,-0.3018382467,0.0082865202,0.0082865202,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Co-Ni-Th,6.0,A2B3C_oC12_65_e_ah_c:Co-Ni-Th +mp-1095928,In2GaHg,-1.2526233425,0.9561626194,0.9561626194,0.9561626194,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-In,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-In +mp-976182,PrErTl2,-3.8681631275,-0.3496854129,0.001015245,0.001015245,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pr-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Pr-Tl +mp-4251,Pr(Sb3Os)4,-6.0052522353,-0.1676998615,0.0086126565,0.0086126565,GGA,Im-3,A4BC12_cI34_204_c_a_g:Os-Pr-Sb,17.0,A4BC12_cI34_204_c_a_g:Os-Pr-Sb +mp-1105558,Ca5CdCu2,-2.5781588106,-0.1844959981,0.0,-0.0125142831,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Ca-Cd-Cu,16.0,A5BC2_tI32_140_cl_a_h:Ca-Cd-Cu +mp-30471,CaCu,-3.1953041345,-0.1429008595,0.0007970905,-0.0280460689,GGA,P2_1/m,AB_mP20_11_5e_5e:Ca-Cu,20.0,AB_mP20_11_5e_5e:Ca-Cu +mp-585949,CaCu,-3.196101225,-0.14369795,0.0,-0.0288431594,GGA,Pnma,AB_oP40_62_5c_5c:Ca-Cu,40.0,"Invalid WP multiplicities - AB_oP40_62_19c_16c:Ca-Cu, expected Ca19Cu16 to be CaCu" +mp-12614,Ca2Cu,-2.814743855,-0.111275045,0.0,-0.0154764117,GGA,Pnma,A2B_oP12_62_2c_c:Ca-Cu,12.0,A2B_oP12_62_2c_c:Ca-Cu +mp-1190573,CaCd2Cu9,-3.4636239642,-0.0682706783,0.0143593917,0.0143593917,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Ca-Cd-Cu,24.0,AB2C9_tP24_127_a_g_cjk:Ca-Cd-Cu +mp-1214079,Ca6Cd32Cu,-1.3549407362,-0.1840361651,0.0100667904,0.0100667904,GGA,Pm-3,A6B32C_cP39_200_f_egik_b:Ca-Cd-Cu,39.0,A6B32C_cP39_200_f_egik_b:Ca-Cd-Cu +mp-1882,CaCu5,-3.8722864867,-0.1220142817,0.0,-0.074114965,GGA,P6/mmm,AB5_hP6_191_a_cg:Ca-Cu,6.0,AB5_hP6_191_a_cg:Ca-Cu +mp-1071036,TbScSb,-5.9577261450000005,-0.9257806633,0.0,-0.049160406,GGA,P4/nmm,ABC_tP6_129_c_a_c:Sb-Sc-Tb,6.0,ABC_tP6_129_c_a_c:Sb-Sc-Tb +mp-982596,TbSc,-5.427992145,0.0554254575,0.0554254575,0.0554254575,GGA,P-6m2,AB_hP2_187_a_d:Sc-Tb,2.0,AB_hP2_187_a_d:Sc-Tb +mp-1187316,Tb3Sc,-5.0149430525,0.0439487988,0.0439487988,0.0439487988,GGA,I4/mmm,AB3_tI8_139_a_bd:Sc-Tb,4.0,AB3_tI8_139_a_bd:Sc-Tb +mp-1187305,Tb3Sc,-5.0201737225,0.0387181288,0.0387181288,0.0387181288,GGA,Pm-3m,AB3_cP4_221_a_c:Sc-Tb,4.0,AB3_cP4_221_a_c:Sc-Tb +mp-865947,YbPrAg2,-3.3617725425,-0.3653660321,0.0,-0.0356476525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pr-Yb,,A2BC_cF16_225_c_a_b:Ag-Pr-Yb +mp-980197,YbErPt2,-5.7574312075,-1.195032775,0.0,-0.007294972,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pt-Yb,,AB2C_cF16_225_a_c_b:Er-Pt-Yb +mp-30342,HoInAg2,-3.6141449575,-0.3643438058,0.0,-0.0555431952,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ho-In,4.0,A2BC_cF16_225_c_a_b:Ag-Ho-In +mp-1223918,Ho2InAg,-4.076096065,-0.3888316967,0.009749445,-0.000880325,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Ho-In,4.0,AB2C_tP4_123_a_h_b:Ag-Ho-In +mp-865297,Ho2InAg,-4.08584551,-0.3985811417,0.0,-0.01062977,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ho-In,4.0,AB2C_cF16_225_a_c_b:Ag-Ho-In +mp-1208455,Tb4CdNi,-4.4967927863,-0.2900443129,0.0,-0.0252275775,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ni-Tb,24.0,ABC4_cF96_216_e_e_efg:Cd-Ni-Tb +mp-1077082,TbCdNi4,-5.1283702233,-0.34873646,0.0,-0.0432757468,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Tb,6.0,AB4C_cF24_216_a_e_c:Cd-Ni-Tb +mp-1201592,Tb(Cd10Ni)2,-1.5916467613,-0.0850191674,0.0,-0.0130196098,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Tb,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Tb +mp-1206788,Tb2CdNi2,-4.779596682,-0.429217618,0.0,-0.0292092165,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Cd-Ni-Tb,5.0,AB2C2_oC10_65_a_g_h:Cd-Ni-Tb +mp-1206784,Tb2CdNi2,-4.777661321,-0.427282257,0.001935361,-0.0272738555,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ni-Tb,10.0,AB2C2_tP10_127_a_g_h:Cd-Ni-Tb +mp-1095680,PrGeRh,-6.4484350467,-0.85902122,0.0,-0.0068161106,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pr-Rh,12.0,ABC_oP12_62_c_c_c:Ge-Pr-Rh +mp-1209485,Pr3(GeRh)2,-6.2998101032000005,-0.8258974296,0.0,-0.0274292455,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-Pr-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ge-Pr-Rh +mp-2896,Pr(GeRh)2,-6.640151302,-0.8890358610000001,0.0,-0.0893308792,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Pr-Rh,5.0,A2BC2_tI10_139_e_a_d:Ge-Pr-Rh +mp-13072,PrGe3Rh,-5.906688374,-0.7038289360000001,0.0,-0.0268453127,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-Pr-Rh,5.0,A3BC_tI10_107_ab_a_a:Ge-Pr-Rh +mp-1077830,Pr2GeRh3,-6.810552245,-0.7642584158,0.0,-0.0193603658,GGA,R-3m,AB2C3_hR18_166_a_c_d:Ge-Pr-Rh,6.0,AB2C3_hR18_166_a_c_d:Ge-Pr-Rh +mp-975634,Pr2Ge5Rh3,-6.2931588525,-0.8161714130000001,0.0,-0.0197390145,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-Pr-Rh,20.0,A5B2C3_oI40_72_afj_j_bj:Ge-Pr-Rh +mp-1102817,Pr(Ge2Rh3)2,-6.8688280673,-0.7362040314,0.0,-0.0822443368,GGA,P-6m2,A4BC6_hP11_187_ak_c_jk:Ge-Pr-Rh,11.0,A4BC6_hP11_187_ak_c_jk:Ge-Pr-Rh +mp-867159,SmDyMg2,-3.2215952425,-0.0901119737,0.0,-0.0004214625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Sm +mp-570070,Yb4Ge6Rh7,-5.8774660688,-0.8511863429000001,0.0,-0.0027710307,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Rh-Yb,,A6B7C4_cI34_229_e_ad_c:Ge-Rh-Yb +mp-20498,YbGeRh,-5.3915478083,-0.8825664733,0.0,-0.0814328219,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Yb,,ABC_oP12_62_c_c_c:Ge-Rh-Yb +mp-1202636,Yb5(Ge5Rh2)2,-5.0893596674,-0.7006464342000001,0.0,-0.0003327269,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Yb,,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Yb +mp-567427,Yb(GeRh)2,-5.974106174,-0.8712502280000001,0.0,-0.0892286384,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Yb,,A2B2C_tI10_139_e_d_a:Ge-Rh-Yb +mp-1203831,Yb3Ge13Rh4,-5.2222637905,-0.5134928687,0.0,-0.0003310963,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Yb,,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Yb +mp-1227148,Ca6Ge7Au15,-3.8463815979,-0.5069878741,0.001910635,0.001910635,GGA,Pm,A15B6C7_mP28_6_7a8b_3a3b_4a3b:Au-Ca-Ge,28.0,A15B6C7_mP28_6_7a8b_3a3b_4a3b:Au-Ca-Ge +mp-1203630,Ca13(Ge11Au25)2,-3.8029536258,-0.3738534934,0.0,-0.0006288704,GGA,Im-3,A50B13C22_cI170_204_dfgh_ag_ceg:Au-Ca-Ge,85.0,A50B13C22_cI170_204_dfgh_ag_ceg:Au-Ca-Ge +mp-7883,Ca(GeAu)2,-3.996335922,-0.436452004,0.0249627787,0.0249627787,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ca-Ge,5.0,A2BC2_tI10_139_d_a_e:Au-Ca-Ge +mp-1214045,Ca3Ge2Au9,-3.7172618436,-0.5224194614000001,0.0,-0.0166872279,GGA,Pnnm,A9B3C2_oP28_58_a4g_cg_g:Au-Ca-Ge,28.0,A9B3C2_oP28_58_a4g_cg_g:Au-Ca-Ge +mp-1214019,Ca3Ge4Au7,-3.8919690293,-0.5043915250000001,0.0,-0.0013394338,GGA,Imm2,A7B3C4_oI28_44_a2b2c_ac_2c:Au-Ca-Ge,14.0,A7B3C4_oI28_44_a2b2c_ac_2c:Au-Ca-Ge +mp-1214042,Ca3Ge4Au7,-3.8879461046,-0.5003686004,0.0040229246,0.0026834909,GGA,Pnnm,A7B3C4_oP28_58_a3g_cg_2g:Au-Ca-Ge,28.0,A7B3C4_oP28_58_a3g_cg_2g:Au-Ca-Ge +mp-1227773,Ca3Ge3Au8,-3.8027359379,-0.5115259946,0.0018794986,0.0018794986,GGA,P2/m,A8B3C3_mP28_10_bg3m4n_cemn_2mn:Au-Ca-Ge,28.0,A8B3C3_mP28_10_bd3m4n_chmn_2mn:Au-Ca-Ge +mp-21710,CaGeAu,-4.0231080131,-0.7222714347,0.0,-0.0487621217,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Au-Ca-Ge,36.0,"Invalid WP multiplicities - ABC_oP36_62_4c_3c_5c:Au-Ca-Ge, expected Ca3Ge5Au4 to be CaGeAu" +mp-1227613,Ca4Ge3Au5,-3.9097352325,-0.7213274754,0.0,-0.0017815915,GGA,Cm,A5B4C3_mC24_8_5a_4a_3a:Au-Ca-Ge,12.0,A5B4C3_mC24_8_5a_4a_3a:Au-Ca-Ge +mp-1215037,Be13Re,-3.5973372398,0.7638695052000001,0.8592452215,0.8592452215,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-Re,56.0,A13B_cF224_227_ab2g_c:Be-Re +mp-11275,Be2Re,-7.0218662167,-0.3807485783,0.0,-0.3355006748,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-Re,12.0,A2B_hP12_194_ah_f:Be-Re +mp-1093917,Ti2BeRe,-4.487443675,3.5062873458,3.8014640832,3.8014640832,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Re-Ti,4.0,ABC2_oI8_71_a_b_e:Be-Re-Ti +mp-569364,Be22Re,-4.1828170013,-0.064920905,0.0,-0.015258047,GGA,Fd-3m,A22B_cF184_227_cdfg_a:Be-Re,46.0,"Invalid WP multiplicities - A22B_cF184_227_4c4d11f12g_a:Be-Re, expected Be226Re to be Be22Re" +mp-574250,InSiTe3,-3.635979274,-0.114595386,0.348779665,0.2858693098,GGA,P3,ABC3_hP5_143_a_b_d:In-Si-Te,5.0,ABC3_hP5_143_a_b_d:In-Si-Te +mp-567931,InSiTe3,-3.984758939,-0.463375051,0.0,-0.0629103552,GGA,P-31m,ABC3_hP10_162_c_e_k:In-Si-Te,10.0,ABC3_hP10_162_c_e_k:In-Si-Te +mp-1096244,TiTc2Ge,-5.15028214,3.1596673004,3.539895695,3.4692234164,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Tc-Ti,4.0,AB2C_oI8_71_a_e_b:Ge-Tc-Ti +mp-1187489,TiTc2Ge,-8.690177835,-0.3802283946,0.0,-0.0706722786,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Tc-Ti,4.0,AB2C_cF16_225_a_c_b:Ge-Tc-Ti +mp-30676,Zr3Ti2Ga3,-6.8272401256,-0.5124433768000001,0.0,-0.0195926388,GGA,P6_3/mcm,A3B2C3_hP16_193_g_d_g:Ga-Ti-Zr,16.0,A3B2C3_hP16_193_g_d_g:Ga-Ti-Zr +mp-1215829,Zr2(TiGa)3,-6.5667526331,-0.3334819609,0.1520849028,0.1520849028,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Ga-Ti-Zr,16.0,A3B3C2_hP16_193_g_g_d:Ga-Ti-Zr +mp-1025304,Zr(TiGa2)2,-5.7271395857,-0.5198440495000001,0.0,-0.0013907255,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:Ga-Ti-Zr,7.0,A4B2C_tI14_139_h_d_a:Ga-Ti-Zr +mp-1204392,TiMnGe2,-6.9970069331,-0.4211161784,0.0,-0.0461590963,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Ti,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Ti +mp-1018015,Ti2MnGe,-7.638159195,-0.2441523999,0.2944133746,0.2944133746,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ge-Mn-Ti,4.0,ABC2_cF16_216_a_c_bd:Ge-Mn-Ti +mp-1106030,TiMnGe,-7.726022095,-0.4991770404,0.0,-0.0525007135,GGA,Ima2,ABC_oI36_46_bc_ac_3b:Ge-Mn-Ti,18.0,ABC_oI36_46_bc_ac_3b:Ge-Mn-Ti +mp-866376,TiMn2Ge,-8.05074667,-0.340109056,0.0342737243,0.0342737243,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Mn-Ti,4.0,AB2C_cF16_225_a_c_b:Ge-Mn-Ti +mp-1096198,MnBePt2,-4.2170695325,2.0438541668,2.4588975575,2.4588975575,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Mn-Pt,4.0,ABC2_oI8_71_a_b_e:Be-Mn-Pt +mp-864944,MnBe2Pt,-6.1544269675,-0.476433382,0.0,-0.0956147958,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Mn-Pt,4.0,A2BC_cF16_225_c_a_b:Be-Mn-Pt +mp-1183377,Ac2InGa,-3.90202417,-0.3964917281,0.0,-0.0712294681,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ga-In,4.0,A2BC_cF16_225_c_a_b:Ac-Ga-In +mp-980069,YbPrRh2,-5.8804502,-0.6181677563,0.00903906,0.00903906,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pr-Rh-Yb,,AB2C_cF16_225_a_c_b:Pr-Rh-Yb +mp-1183166,AgBiPd2,-4.47850742,-0.2203052317,0.0058263563,0.0058263563,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Bi-Pd,4.0,ABC2_cF16_225_a_b_c:Ag-Bi-Pd +mp-1229111,Ag3Bi,-2.950282365,0.13425692,0.13425692,0.13425692,GGA,P-6m2,A3B_hP4_187_ah_b:Ag-Bi,4.0,A3B_hP4_187_ah_b:Ag-Bi +mp-30062,Cs2PtBr6,-3.3772761756,-1.4683752818,0.0,-0.1286831333,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Pt,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Pt +mp-1213235,CsPtBr3,-3.392201976,-1.0670778396,0.254459914,0.254459914,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cs-Pt,20.0,A3BC_oP20_62_3c_c_c:Br-Cs-Pt +mp-1184110,Er2AgAu,-4.42566547,-0.6151965642,0.0078292087,0.0078292087,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Er,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Er +mp-982724,HoTmTl2,-3.754316315,-0.3084336683,0.0,-0.01152925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Tl-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-Tl-Tm +mp-1186434,Pm2CdGa,-3.80028162,-0.4372640131,0.0,-0.1208181671,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ga-Pm,4.0,ABC2_cF16_225_a_b_c:Cd-Ga-Pm +mp-9341,GdAgGe,-7.82698495,-0.6497495839,0.0,-0.0783383656,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Gd-Ge,9.0,ABC_hP9_189_f_g_bc:Ag-Gd-Ge +mp-1072255,ScNi4Au,-5.8551355367,-0.4006525658,0.0,-0.0499820594,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Ni-Sc,6.0,AB4C_cF24_216_a_e_c:Au-Ni-Sc +mp-978563,SmHoIn2,-4.1659045325,-0.4648139162,0.0,-0.00498907,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Sm,4.0,AB2C_cF16_225_a_c_b:Ho-In-Sm +mp-22187,Gd(GeRh)2,-8.500521966,-0.890363228,0.0,-0.1047095395,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Gd-Ge-Rh +mp-1102792,Gd(Ge2Rh3)2,-7.7212409691,-0.7435972527,0.0,-0.0890342095,GGA,P-6m2,AB4C6_hP11_187_a_ck_jk:Gd-Ge-Rh,11.0,AB4C6_hP11_187_a_ck_jk:Gd-Ge-Rh +mp-1095527,GdGeRh,-9.6338226775,-0.9460033558,0.0,-0.0825859408,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ge-Rh,12.0,ABC_oP12_62_c_c_c:Gd-Ge-Rh +mp-975801,PrTlAg2,-3.45770297,-0.2555377429,0.0315864285,0.0315864285,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Pr-Tl,4.0,A2BC_cF16_225_c_a_b:Ag-Pr-Tl +mp-978085,Pr2TlAg,-4.0093085575,-0.3200558925,0.0,-0.0009626925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pr-Tl,4.0,AB2C_cF16_225_a_c_b:Ag-Pr-Tl +mp-1184867,HoTmHg2,-2.894320485,-0.4779192292,0.006063565,0.006063565,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Tm,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Tm +mp-865736,YbBiPd2,-4.648437615,-0.7134723575,0.0,-0.0296652363,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Yb,,AB2C_cF16_225_a_c_b:Bi-Pd-Yb +mp-30466,YbBiPd,-4.3079334667,-0.7879403933,0.0,-0.0516320833,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Yb,,ABC_cF12_216_a_c_b:Bi-Pd-Yb +mp-20650,CeCrGe3,-6.317880738,-0.4268366999999999,0.0,-0.0298224385,GGA,P6_3/mmc,ABC3_hP10_194_c_a_h:Ce-Cr-Ge,10.0,ABC3_hP10_194_c_a_h:Ce-Cr-Ge +mp-1183868,Ce3Cr,-6.5388424025,0.3242363312,0.3242363312,0.3242363312,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Cr,4.0,A3B_tI8_139_ad_b:Ce-Cr +mp-13429,La2CdRh2,-5.751448277,-0.6467443350000001,0.0,-0.0255185852,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-La-Rh,10.0,AB2C2_tP10_127_a_h_g:Cd-La-Rh +mp-1203560,La15Cd2Rh5,-5.6159907593,-0.4929259664,0.0,-0.0067715308,GGA,R3m,A2B15C5_hR132_160_ab_3a9b_a3b:Cd-La-Rh,44.0,A2B15C5_hR132_160_ab_3a9b_a3b:Cd-La-Rh +mp-1212070,La23Cd4Rh7,-5.4342631066,-0.4704431788,0.0,-0.0010000046,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-La-Rh,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-La-Rh +mp-1224632,Ge(TePd4)2,-5.1152361861,-0.3562639933,0.0283913169,0.0283913169,GGA,R3c,AB8C2_hR132_161_2a_4a4b_ab:Ge-Pd-Te,44.0,AB8C2_hR132_161_2a_4a4b_ab:Ge-Pd-Te +mp-1212844,Er3Co6Sn5,-5.7931149357,-0.3359061875,0.0148981526,0.0148981526,GGA,Immm,A6B3C5_oI28_71_fm_ai_bm:Co-Er-Sn,14.0,A6B3C5_oI28_71_fm_ai_bm:Co-Er-Sn +mp-1213336,Er6Co2Sn,-5.4207855189,-0.350505485,0.0,-0.0014411617,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Er-Sn,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Er-Sn +mp-11851,ErCoSn,-5.7201265567,-0.4915904033,0.0,-0.0327446042,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Er-Sn,12.0,ABC_oP12_62_c_c_c:Co-Er-Sn +mp-1225848,Er4CoSn8,-4.9143716315,-0.4946971796,0.0251626392,0.0251626392,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Er-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Co-Er-Sn +mp-1197803,Er7Co6Sn23,-4.730714945,-0.0961568587,0.2988146836,0.2666810612,GGA,P-3m1,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Er-Sn,36.0,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Er-Sn +mp-1213283,Er7Co6Sn23,-5.0295296286,-0.3949715424,0.0,-0.0321336224,GGA,P-3m1,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Er-Sn,36.0,A6B7C23_hP36_164_i_ai_b2dg2i:Co-Er-Sn +mp-1213031,Er3(Co2Sn)4,-6.071352212,-0.2974864647,0.0136993484,0.0136993484,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Co-Er-Sn,30.0,A8B3C4_hP30_186_ab2c_c_bc:Co-Er-Sn +mp-30913,ErCoSn2,-5.2609631125,-0.3371680337,0.0923931602,0.0923931602,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Er-Sn,8.0,ABC2_oC16_63_c_c_2c:Co-Er-Sn +mp-1212216,Ho5(GeSb)2,-5.4939871778,-1.0033091178,0.0,-0.0157972851,GGA,Cmce,A2B5C2_oC36_64_f_ag_d:Ge-Ho-Sb,18.0,A2B5C2_oC36_64_f_ag_d:Ge-Ho-Sb +mp-1220523,Nb3ZnAu,-7.046813446,-0.0793053,0.045375436,0.045375436,GGA,P2_13,AB3C_cP20_198_a_b_a:Au-Nb-Zn,20.0,AB3C_cP20_198_a_b_a:Au-Nb-Zn +mp-1187650,Tm2ZnIn,-3.62352024,-0.3827456933,0.0054871747,0.0054871747,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:In-Tm-Zn +mp-1093551,MgPd2Au,-2.1987479575,1.6097334600000002,2.1199480275,2.0770857294,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Au-Mg-Pd +mp-1185923,MgPd2Au,-4.318695985,-0.5102145675,0.0,-0.0428622981,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Au-Mg-Pd +mp-864972,Mg2PdAu,-3.587644225,-0.6740632475,0.0004032625,0.0004032625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Mg-Pd +mp-977113,MgPdAu2,-3.76915272,-0.437171255,0.0218674735,0.0218674735,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Pd,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Pd +mp-1184247,Eu2ZnHg,-5.9298813825,-0.4105244887,0.00315316,0.00315316,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Hg-Zn +mp-1186618,PmNdZn2,-3.3300569625,-0.3205127187,0.0,-0.0445702481,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Pm-Zn,4.0,ABC2_cF16_225_a_b_c:Nd-Pm-Zn +mp-637182,Gd3Al7Ag2,-6.6431496275,-0.4671071661,0.0,-0.0477700287,GGA,R-3m,A2B7C3_hR36_166_c_ah_bc:Ag-Al-Gd,12.0,"Invalid WP multiplicities - A2B7C3_hR36_166_c_a2h_bc:Ag-Al-Gd, expected Gd3Al13Ag2 to be Gd3Al7Ag2" +mp-1184628,Ho2TlZn,-3.52376473,-0.3269636058,0.0082664809,0.0082664809,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Tl-Zn +mp-1195613,Sr2Al5Pd4,-4.6335639155,-0.7402554339,0.0,-0.0377933408,GGA,Pnma,A5B4C2_oP44_62_5c_4c_2c:Al-Pd-Sr,44.0,A5B4C2_oP44_62_5c_4c_2c:Al-Pd-Sr +mp-867144,CaMgHg2,-1.4734047125,-0.4200945475,0.0,-0.0324331713,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Mg,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Mg +mp-1096403,Ca2MgHg,-0.3528033325,1.1259867113,1.4604949363,1.4604949363,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Hg-Mg,4.0,A2BC_oI8_71_e_a_b:Ca-Hg-Mg +mp-867178,PrMgCd2,-2.390606455,-0.3338651237,0.0,-0.0712284709,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Pr,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Pr +mp-1186693,Pr2MgCd,-3.22496467,-0.20371934,0.01139786,0.01139786,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Pr,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Pr +mp-30847,TiSnPt,-6.8176486633,-0.8255829328000001,0.0,-0.1861863776,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Pt-Sn-Ti +mp-1106326,Er2Si4Mo3,-7.6976256928,-0.6561079072,0.0,-0.0917689901,GGA,P2_1/c,A2B3C4_mP18_14_e_ae_2e:Er-Mo-Si,18.0,A2B3C4_mP18_14_e_ae_2e:Er-Mo-Si +mp-1096433,LiBe2Os,-2.3998879775,2.7538910292,2.9141901919,2.9141901919,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Li-Os,4.0,A2BC_oI8_71_e_a_b:Be-Li-Os +mp-1187447,ThPa3,-8.912687575,0.0767754825,0.0767754825,0.0767754825,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Th,4.0,A3B_cP4_221_c_a:Pa-Th +mp-1187445,ThPaTc2,-9.4811756525,-0.0687254525,0.0365713125,0.0365713125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Th +mp-1187052,Th3Pa,-7.87484741,0.0642124425,0.0642124425,0.0642124425,GGA,Pm-3m,AB3_cP4_221_a_c:Pa-Th,4.0,AB3_cP4_221_a_c:Pa-Th +mp-1095819,Hf2MoPd,-5.6998276175,3.2851498775,3.7192749169,3.7192749169,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Mo-Pd,4.0,A2BC_oI8_71_e_a_b:Hf-Mo-Pd +mp-1093957,Zr2TcOs,-6.047279205,3.6235727038,4.107806265,4.0096458595,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Tc-Zr,4.0,ABC2_oI8_71_a_b_e:Os-Tc-Zr +mp-1188002,Zr2TcOs,-10.15508547,-0.4842335612,0.0,-0.0981604055,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Tc-Zr,4.0,ABC2_cF16_225_a_b_c:Os-Tc-Zr +mp-1215296,ZrMnCr,-9.225366095,-0.1044449643,0.0054785167,0.0054785167,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Mn-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Mn-Zr, expected Zr3(MnCr)2 to be ZrMnCr" +mp-1093822,ScPd2Pb,-3.6743155275,1.4269044212,2.08665363,2.0816389512,GGA,Immm,AB2C_oI8_71_a_e_b:Pb-Pd-Sc,4.0,AB2C_oI8_71_a_e_b:Pb-Pd-Sc +mp-1206369,ScPd2Pb,-5.7609691575,-0.6597492088,0.0,-0.0050146788,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Sc +mp-978520,SmDyRu2,-7.2085810025,-0.2400364887,0.0688769331,0.0688769331,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Sm,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Sm +mp-21869,Gd(Sn3Ru2)2,-7.1684863891,-0.3292897045,0.0,-0.0552486398,GGA,I-42m,AB4C6_tI22_121_a_i_ci:Gd-Ru-Sn,11.0,"Invalid WP multiplicities - AB4C6_tI22_121_a_i_2ci:Gd-Ru-Sn, expected Gd(Sn2Ru)4 to be Gd(Sn3Ru2)2" +mp-1103232,DyAsPt,-6.3171373633,-1.204791175,0.0,-0.0203993896,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Dy-Pt,12.0,ABC_hP12_194_f_ab_f:As-Dy-Pt +mp-1184133,Dy3As,-5.0213977325,-0.4015280012,0.36153079,0.36153079,GGA,I4/mmm,AB3_tI8_139_a_bd:As-Dy,4.0,AB3_tI8_139_a_bd:As-Dy +mp-1010161,DyAs,-5.68277701,-1.0498243875,0.476293195,-0.7821390533,GGA,Pm-3m,AB_cP2_221_a_b:As-Dy,2.0,AB_cP2_221_a_b:As-Dy +mp-2627,DyAs,-6.159070205,-1.5261175825,0.0,-1.2584322483,GGA,Fm-3m,AB_cF8_225_a_b:As-Dy,2.0,AB_cF8_225_a_b:As-Dy +mp-862362,Sc2TcPt,-8.0232185,-0.7490408812,0.0384172178,0.0384172178,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Pt-Sc-Tc +mp-1205914,ErBiRh,-6.0068704444,-0.7493651744000001,0.0,-0.0691533581,GGA,P-62m,ABC_hP9_189_f_g_bc:Bi-Er-Rh,9.0,ABC_hP9_189_f_g_bc:Bi-Er-Rh +mp-30389,HoPbAu,-4.52442872,-0.6681160733,0.0,-0.0631323344,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Ho-Pb,3.0,ABC_cF12_216_c_a_b:Au-Ho-Pb +mp-867917,CuGeRh2,-6.2338697375,-0.3711571713,0.0,-0.0276100044,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ge-Rh,4.0,ABC2_cF16_225_a_b_c:Cu-Ge-Rh +mp-1093722,BeCrFe2,-4.410790515,3.1723351737,3.2821151125,3.2764316119,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Cr-Fe,4.0,ABC2_oI8_71_a_b_e:Be-Cr-Fe +mp-1183416,BeCrFe2,-7.6929056275,-0.1097799388,0.0,-0.0056835006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Cr-Fe,4.0,ABC2_cF16_225_a_b_c:Be-Cr-Fe +mp-865800,Yb2BiAu,-3.4493016,-0.9009046775,0.0,-0.0283835893,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Bi-Yb,,ABC2_cF16_225_a_b_c:Au-Bi-Yb +mp-1077471,YbBiAu,-3.6242263583,-0.739566555,0.0,-0.0481673817,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Bi-Yb,,ABC_hP6_186_b_b_a:Au-Bi-Yb +mp-31142,YbBiAu,-3.1866507,-0.3019908967,0.4375756583,0.3894082767,GGA,F-43m,ABC_cF12_216_a_b_c:Au-Bi-Yb,,ABC_cF12_216_a_b_c:Au-Bi-Yb +mp-1224821,Ga4Ni3Pd,-4.7712082362,-0.4421237437,0.022373895,0.022373895,GGA,R3,A4B3C_hR24_146_ab_b_a:Ga-Ni-Pd,8.0,A4B3C_hR24_146_ab_b_a:Ga-Ni-Pd +mp-1211805,Pr8Sb14Rh17,-6.4773209594,-0.8043338519000001,0.0,-0.048192601,GGA,I4cm,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Pr-Rh-Sb,78.0,A8B17C14_tI156_108_abcd_a4c2d_ab2c2d:Pr-Rh-Sb +mp-865955,CaNdHg2,-2.393093275,-0.5478162644,0.0,-0.0339942425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Nd +mp-1220167,Ni11(GeTe2)2,-5.3551785929,-0.3316031363,0.0010977607,0.0010977607,GGA,P4mm,A2B11C4_tP17_99_ab_2ab4c_2a2b:Ge-Ni-Te,17.0,"Invalid WP multiplicities - A2B11C4_tP17_99_ab_2ab8c_2a2b:Ge-Ni-Te, expected Ni19(GeTe2)2 to be Ni11(GeTe2)2" +mp-976339,LiTm2In,-3.64492055,-0.2418511892,0.0158388967,0.0158388967,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Tm,4.0,ABC2_cF16_225_a_b_c:In-Li-Tm +mp-861665,LiTmIn2,-3.33066879,-0.3586373525,0.0,-0.0080983146,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Tm,4.0,A2BC_cF16_225_c_a_b:In-Li-Tm +mp-865860,Li2TmIn,-3.0209579525,-0.2596167308,0.0004258304,0.0004258304,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Tm,4.0,AB2C_cF16_225_a_c_b:In-Li-Tm +mp-865096,NaHoTl2,-2.88342894,-0.2258738258,0.0,-0.0114919195,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Ho-Na-Tl +mp-1186150,NaHo3,-3.4531058425,0.3143321334,0.3143321334,0.3143321334,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Na,4.0,A3B_tI8_139_ad_b:Ho-Na +mp-976319,NaHo3,-3.4403546,0.3270833759,0.3270833759,0.3270833759,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Na,4.0,A3B_cP4_221_c_a:Ho-Na +mp-1186145,NaHo3,-3.4523582325,0.3150797434,0.3150797434,0.3150797434,GGA,Fm-3m,A3B_cF16_225_ac_b:Ho-Na,4.0,A3B_cF16_225_ac_b:Ho-Na +mp-1224940,Ga3Ni12Sn,-5.41104117,-0.2575724148,0.0069084741,0.0069084741,GGA,P4/mmm,A3B12C_tP16_123_ag_cdh2i_b:Ga-Ni-Sn,16.0,"Invalid WP multiplicities - A3B12C_tP16_123_a2g_cd2h5i_b:Ga-Ni-Sn, expected Ga5Ni26Sn to be Ga3Ni12Sn" +mp-1106177,Ga3Ni5Sn2,-4.927364371,-0.3269528532,0.0095005974,0.0095005974,GGA,Cmcm,A3B5C2_oC40_63_af_c2f_2c:Ga-Ni-Sn,20.0,A3B5C2_oC40_63_af_c2f_2c:Ga-Ni-Sn +mp-1097506,LiCdIn2,-1.092644665,0.9911503567,1.1400070905,1.1400070905,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-In-Li,4.0,AB2C_oI8_71_a_e_b:Cd-In-Li +mp-1096124,Li2CdIn,-0.96142982,0.9116749858,1.2016520625,1.169299072,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-In-Li,4.0,ABC2_oI8_71_a_b_e:Cd-In-Li +mp-1222671,Li2CdIn,-2.1630818825,-0.2899770767,0.0,-0.0323529905,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cd-In-Li,4.0,ABC2_cF16_216_a_c_bd:Cd-In-Li +mp-1185034,Li2CdIn,-2.1479375775,-0.2748327717,0.015144305,-0.0172086855,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-Li,4.0,ABC2_cF16_225_a_b_c:Cd-In-Li +mp-1097218,LiCd2In,-0.7587868525,0.8678096767,1.0244028015,1.0244028015,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-In-Li,4.0,A2BC_oI8_71_e_a_b:Cd-In-Li +mp-1185797,Mg3Te,-2.2478956625,-0.2618591517,0.2897265982,0.2897265982,GGA,I4/mmm,A3B_tI8_139_ad_b:Mg-Te,4.0,A3B_tI8_139_ad_b:Mg-Te +mp-1185828,Mg5Te,-2.0154745067,-0.1580234828,0.2152104559,0.2152104559,GGA,R32,A5B_hR18_155_cd_b:Mg-Te,6.0,A5B_hR18_155_cd_b:Mg-Te +mp-1039,MgTe,-3.458434155,-1.0866411833,0.0,-0.4364235128,GGA,P6_3mc,AB_hP4_186_b_b:Mg-Te,4.0,AB_hP4_186_b_b:Mg-Te +mp-1017510,MgTe,-3.4106165775,-1.0388236058,0.0478175775,-0.3886059353,GGA,P6_3/mmc,AB_hP4_194_a_c:Mg-Te,4.0,AB_hP4_194_a_c:Mg-Te +mp-13033,MgTe,-3.457652335,-1.0858593633,0.00078182,-0.4356416928,GGA,F-43m,AB_cF8_216_a_c:Mg-Te,2.0,AB_cF8_216_a_c:Mg-Te +mp-1008786,MgTe,-3.393008715,-1.0212157433,0.06542544,-0.3709980728,GGA,Fm-3m,AB_cF8_225_a_b:Mg-Te,2.0,AB_cF8_225_a_b:Mg-Te +mp-2604,MgTe2,-3.4884448625,-0.8594809169000001,0.0,-0.1350534614,GGA,Pa-3,AB2_cP12_205_a_c:Mg-Te,12.0,AB2_cP12_205_a_c:Mg-Te +mp-1222182,Mg(InTe2)2,-3.5362314957,-0.7252499124,0.0,-0.0166586607,GGA,I-4,A2BC4_tI14_82_ac_b_g:In-Mg-Te,7.0,A2BC4_tI14_82_ac_b_g:In-Mg-Te +mp-35777,Mg(InTe2)2,-3.5314978957000003,-0.7205163124,0.0047336,-0.0119250607,GGA,I-42m,A2BC4_tI14_121_d_a_i:In-Mg-Te,7.0,A2BC4_tI14_121_d_a_i:In-Mg-Te +mp-1185638,Mg149Te,-1.6413653503,-0.0307984613,0.0,-0.0163099122,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-Te,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-Te, expected Mg315Te to be Mg149Te" +mp-866103,Ac2MgSn,-3.815515485,-0.352465005,0.0,-0.09590522,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Mg-Sn,4.0,A2BC_cF16_225_c_a_b:Ac-Mg-Sn +mp-1219721,PrNdAl6,-4.4364329775,-0.4336194566,0.0063363937,0.0063363937,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-Nd-Pr,8.0,A6BC_hP8_187_jk_a_d:Al-Nd-Pr +mp-1219707,PrNdAl4,-4.584343525,-0.4957841071,0.0004730375,0.0004730375,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Nd-Pr,6.0,A4BC_cF24_216_e_a_c:Al-Nd-Pr +mp-1103552,Eu(AlSe2)2,-6.0398011043,-1.5066869085,0.0,-0.0532304293,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Eu-Se,14.0,A2BC4_oC28_66_l_a_kl:Al-Eu-Se +mp-1184251,ErTmZn2,-3.245856915,-0.3550965517,0.0008494075,0.0008494075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Tm-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Tm-Zn +mp-4813,NbAlNi2,-6.782863845,-0.4310752875,0.0071984649,0.0071984649,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Nb-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Nb-Ni +mp-1220500,NbAlNi,-6.970359325,-0.4280201417,0.0120970765,0.0120970765,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Nb-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Nb-Ni, expected Nb3(AlNi)2 to be NbAlNi" +mp-1220476,NbAl2Ni9,-6.2104839525,-0.4093433842,0.0,-0.0224068279,GGA,P4/mmm,A2BC9_tP12_123_g_a_cehi:Al-Nb-Ni,12.0,"Invalid WP multiplicities - A2BC9_tP12_123_g_a_c2eh3i:Al-Nb-Ni, expected NbAl2Ni19 to be NbAl2Ni9" +mp-862911,Ti2CoTc,-8.8267567875,-0.5117715942000001,0.0,-0.0632282625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Tc-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Tc-Ti +mp-961722,TiBiRh,-6.4143438733,-0.0475808678,0.4466672167,0.4466672167,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Rh-Ti,3.0,ABC_cF12_216_a_b_c:Bi-Rh-Ti +mp-568069,Ti2Bi,-6.69192797,-0.1481035822,0.0,-0.0151488222,GGA,I4/mmm,AB2_tI12_139_e_ce:Bi-Ti,6.0,"Invalid WP multiplicities - AB2_tI12_139_e_c2e:Bi-Ti, expected Ti3Bi to be Ti2Bi" +mp-640045,Ti8Bi9,-5.9563721368,-0.2076463542,0.0,-0.1031026491,GGA,P4/nmm,A9B8_tP34_129_aij_2cei:Bi-Ti,34.0,"Invalid WP multiplicities - A9B8_tP34_129_2a5i5j_4c3e5i:Bi-Ti, expected Ti5Bi7 to be Ti8Bi9" +mp-866201,Ti3Bi,-6.9829521275,-0.1012108325,0.0098668542,0.0098668542,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Ti,8.0,AB3_hP8_194_c_h:Bi-Ti +mp-865838,LiSiRu2,-6.8236783825,-0.3529168883,0.0,-0.0461148527,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Li-Ru-Si +mp-867128,Sm2PdRu,-6.485142595,-0.51227844,0.0366523928,0.0366523928,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Pd-Ru-Sm +mp-1184428,Gd2CuOs,-11.0710541125,-0.2013494675,0.0,-0.0013669691,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Gd-Os,4.0,AB2C_cF16_225_a_c_b:Cu-Gd-Os +mp-862423,Sc2TcPd,-7.60047114,-0.5491063987,0.0401417659,0.0401417659,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pd-Sc-Tc,4.0,AB2C_cF16_225_a_c_b:Pd-Sc-Tc +mp-1095750,Ta2MoIr,-6.6066230275,4.24328686,4.6332709725,4.5967466275,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mo-Ta,4.0,ABC2_oI8_71_a_b_e:Ir-Mo-Ta +mp-1186766,Ta2MoIr,-11.239894,-0.3899841125,0.0,-0.036524345,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mo-Ta,4.0,ABC2_cF16_225_a_b_c:Ir-Mo-Ta +mp-1186048,Na3Fe,-2.4383186137,0.6710806588,0.6710806588,0.6710806588,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Na,8.0,AB3_hP8_194_c_h:Fe-Na +mp-1186037,Na3Fe,-2.4228778875,0.6865213851,0.6865213851,0.6865213851,GGA,Pm-3m,AB3_cP4_221_a_c:Fe-Na,4.0,AB3_cP4_221_a_c:Fe-Na +mp-1210192,NaFeBr4,-3.9511948762,-1.2837515723,0.0,-0.1038380421,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Fe-Na,24.0,A4BC_oP24_62_2cd_c_c:Br-Fe-Na +mp-862905,PmGaAu2,-4.21056646,-0.6289658737,0.0012468925,0.0012468925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Pm,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Pm +mp-1097404,Ta2MnMo,-6.55879788,4.3720072855,4.5094330047,4.5094330047,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Mo-Ta,4.0,ABC2_oI8_71_a_b_e:Mn-Mo-Ta +mp-1185508,LuScCu2,-5.0420784475,-0.2791202062,0.0,-0.0283631106,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Lu-Sc,4.0,A2BC_cF16_225_c_a_b:Cu-Lu-Sc +mp-1229118,Ag6SnSb,-3.1679412763,-0.0262026369,0.0,-0.0047547575,GGA,Pmm2,A6BC_oP8_25_adef_b_c:Ag-Sb-Sn,8.0,A6BC_oP8_25_adef_b_c:Ag-Sb-Sn +mp-978527,SmDyTl2,-3.871077685,-0.3584128679,0.0,-0.000679635,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Sm-Tl +mp-30453,DyBiPt,-5.88968667,-1.0502169067,0.0,-0.1880852858,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Dy-Pt,3.0,ABC_cF12_216_a_b_c:Bi-Dy-Pt +mp-1212863,Dy5BiPt2,-5.8018751756,-0.9247889294,0.0,-0.0015336687,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Bi-Dy-Pt,16.0,AB5C2_tI32_140_a_cl_h:Bi-Dy-Pt +mp-2142,Te2Os,-6.1918153825,-0.3538223103,0.0,-0.3538223103,GGA,Pa-3,AB2_cP12_205_a_c:Os-Te,12.0,AB2_cP12_205_a_c:Os-Te +mp-1192146,NbTe4Os,-6.2037299762,-0.5534139690000001,0.0068096502,0.0068096502,GGA,Pmn2_1,ABC4_oP24_31_2a_2a_8a:Nb-Os-Te,24.0,ABC4_oP24_31_2a_2a_8a:Nb-Os-Te +mp-865025,HfTaRe2,-12.0762395825,-0.400234325,0.0,-0.0598936392,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Re-Ta,4.0,AB2C_cF16_225_a_c_b:Hf-Re-Ta +mp-973831,LiHoPd2,-4.92035935,-0.7075855108,0.0284349865,0.0284349865,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Ho-Li-Pd +mp-1093848,SrLaAu2,-2.2743579,1.0189582396,1.8208591884,1.8208591884,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Sr,4.0,A2BC_oI8_71_e_a_b:Au-La-Sr +mp-646586,Sm6InCo2,-5.2345810972,-0.2034881939,0.0004371639,0.0004371639,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Sm,18.0,"Invalid WP multiplicities - A2BC6_oI36_71_f2g_ab_4l3m4n:Co-In-Sm, expected Sm22InCo3 to be Sm6InCo2" +mp-1209691,Sm12InCo6,-5.5463458637,-0.1766288047,0.0,-0.026863135,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-In-Sm,19.0,A6BC12_cI38_204_e_a_g:Co-In-Sm +mp-1079575,SmInCo2,-5.642091745,-0.2203653813,0.0350433116,0.0350433116,GGA,Pmma,A2BC_oP8_51_af_e_f:Co-In-Sm,8.0,A2BC_oP8_51_af_e_f:Co-In-Sm +mp-672646,Sm2(InCo3)3,-5.8757252314,-0.0423621161,0.1378930258,0.1378930258,GGA,Amm2,A9B3C2_oC28_38_a2d2e_bd_e:Co-In-Sm,14.0,"Invalid WP multiplicities - A9B3C2_oC28_65_a4h3p_cg_h:Co-In-Sm, expected Sm2(InCo7)3 to be Sm2(InCo3)3" +mp-934093,Sm2(InCo3)3,-5.8765370629,-0.0431739475,0.1370811944,0.1370811944,GGA,Cmmm,A9B3C2_oC28_65_a2hp_cg_h:Co-In-Sm,14.0,"Invalid WP multiplicities - A9B3C2_oC28_65_a4h3p_cg_h:Co-In-Sm, expected Sm2(InCo7)3 to be Sm2(InCo3)3" +mp-1102596,Sm2In8Co,-3.8297256036,-0.3243656123,0.0064275598,0.0064275598,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Sm,11.0,AB8C2_tP11_123_a_ehi_g:Co-In-Sm +mp-1025033,LuInCo4,-6.1299367633,-0.178952525,0.0045120736,0.0045120736,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-In-Lu,6.0,A4BC_cF24_216_e_a_c:Co-In-Lu +mp-1210681,Lu6InCo2,-5.2097803444,-0.3104445178,0.0,-0.0061956373,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Lu,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-In-Lu +mp-567143,Lu14(InCo)3,-4.9649888647,-0.321323272,0.0,-0.0223821932,GGA,P4_2/nmc,A3B3C14_tP80_137_dg_cg_cdf3gh:Co-In-Lu,80.0,"Invalid WP multiplicities - A3B3C14_tP80_137_4d4g_2c2g_4c4d7f20g9h:Co-In-Lu, expected Lu49(InCo2)3 to be Lu14(InCo)3" +mp-1190756,Lu8In3Co,-4.6484237629,-0.3541760008,0.0,-0.0211651449,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-In-Lu,24.0,AB3C8_hP24_186_b_c_ab2c:Co-In-Lu +mp-30796,NbSnRh,-6.8164384133,0.3419565083,0.7037227499,0.7037227499,GGA,F-43m,ABC_cF12_216_a_b_c:Nb-Rh-Sn,3.0,ABC_cF12_216_a_b_c:Nb-Rh-Sn +mp-19791,Ca(GeRu)2,-6.475756866,-0.5156647320000001,0.0,-0.1335220672,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Ru,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Ru +mp-753669,Hf(MnSn)6,-6.9166923077,-0.0715606221,0.0,-0.0095683421,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Hf-Mn-Sn,13.0,"Invalid WP multiplicities - AB6C6_hP13_191_a_i_2c2de:Hf-Mn-Sn, expected Hf(Mn3Sn5)2 to be Hf(MnSn)6" +mp-1095472,ZrGeIr,-8.2280123708,-0.8916248158000001,0.0,-0.186043366,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Zr,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Zr +mp-9353,Dy5Ni2Sb,-5.3997143013,-0.5593132013000001,0.0,-0.0005474881,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Dy-Ni-Sb,16.0,A5B2C_tI32_140_cl_h_a:Dy-Ni-Sb +mp-1080718,Dy(NiSb)2,-5.521261932,-0.6362493960000001,0.091197804,0.091197804,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Dy-Ni-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Dy-Ni-Sb +mp-4510,DyNiSb,-5.8065887967,-0.96794721,0.0,-0.1393903994,GGA,F-43m,ABC_cF12_216_a_c_b:Dy-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Dy-Ni-Sb +mp-1079636,DyNiSb2,-5.4338853875,-0.7726538875000001,0.0215721542,0.0215721542,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Dy-Ni-Sb,8.0,ABC2_tP8_129_c_a_bc:Dy-Ni-Sb +mp-1225313,Dy2NiSb4,-5.3433131171,-0.8419252143,0.0,-0.0051584557,GGA,P-4m2,A2BC4_tP7_115_g_c_abg:Dy-Ni-Sb,7.0,A2BC4_tP7_115_g_c_abg:Dy-Ni-Sb +mp-1093681,CaInAg2,-1.5538348050000002,1.0517640992,1.3513692775,1.3430539743,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-In,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-In +mp-1183617,CaInAg2,-2.9052040825,-0.2996051783,0.0,-0.0083153032,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-In,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-In +mp-1212959,Er4MgCo,-4.6547697358,-0.1581908883,0.0,-0.0154502087,GGA,F-43m,AB4C_cF96_216_e_efg_e:Co-Er-Mg,24.0,AB4C_cF96_216_e_efg_e:Co-Er-Mg +mp-864931,MgCo2,-5.3054520417,-0.0331468283,0.0,-0.0331468283,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Co-Mg,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Co-Mg, expected MgCo4 to be MgCo2" +mp-1016310,Mg7Co,-2.170662635,0.1181221331,0.1243371634,0.1243371634,GGA,P-6m2,AB7_hP8_187_a_djk:Co-Mg,8.0,AB7_hP8_187_a_djk:Co-Mg +mp-1023624,Mg15Co,-1.8820079031,0.0625245059,0.0656320211,0.0656320211,GGA,P-6m2,AB15_hP16_187_a_bhjkn:Co-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:Co-Mg, expected Mg27Co to be Mg15Co" +mp-1185853,MgCo3,-5.5656256662,0.1656826925,0.1905428137,0.1905428137,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Mg,8.0,A3B_hP8_194_h_c:Co-Mg +mp-1016228,Mg3Co,-2.76345566,0.2138338263,0.2262638869,0.2262638869,GGA,Pmm2,AB3_oP4_25_a_bcd:Co-Mg,4.0,AB3_oP4_25_a_bcd:Co-Mg +mp-978276,Mg3Co,-2.813963365,0.1633261212,0.1757561819,0.1757561819,GGA,Fm-3m,AB3_cF16_225_a_bc:Co-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:Co-Mg, expected Mg5Co to be Mg3Co" +mp-542488,MgCo,-4.3509677392,0.0033311833,0.0281913046,0.0281913046,GGA,Fd-3m,AB_cF96_227_ce_f:Co-Mg,24.0,"Invalid WP multiplicities - AB_cF96_227_2c2e_f:Co-Mg, expected MgCo2 to be MgCo" +mp-22645,PrSnPd,-5.5544946492000005,-0.8977081758000001,0.0050673508,-0.1159862119,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Pr-Sn,12.0,ABC_oP12_62_c_c_c:Pd-Pr-Sn +mp-21054,PrSnPd,-5.559562,-0.9027755267,0.0,-0.1210535627,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Pr-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Pd-Pr-Sn, expected Pr3Sn3Pd5 to be PrSnPd" +mp-1209527,Pr3(Sn3Pd2)2,-5.3295350942,-0.7818677377000001,0.0,-0.0539009354,GGA,Pnma,A4B3C6_oP52_62_4c_3c_6c:Pd-Pr-Sn,52.0,A4B3C6_oP52_62_4c_3c_6c:Pd-Pr-Sn +mp-864920,MgZrAu2,-4.78142065,-0.60748448,0.0,-0.0559319575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Zr,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Zr +mp-1186419,PaZnRh2,-6.99865832,-0.6229023175,0.0,-0.0099494566,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Pa-Rh-Zn +mp-1232410,Dy6Al43Mo4,-4.6973926637,-0.318466585,0.0042548584,0.0042548584,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Mo,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Mo +mp-1222903,LaAl2Pt3,-6.2095505117,-1.1027907242,0.0,-0.0136944292,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Al-La-Pt,6.0,A2BC3_hP6_191_c_a_g:Al-La-Pt +mp-1103109,LaAlPt,-5.9727935917,-1.0552215067,0.0,-0.112247404,GGA,Pnma,ABC_oP12_62_c_c_c:Al-La-Pt,12.0,ABC_oP12_62_c_c_c:Al-La-Pt +mp-1096317,Mg2GaHg,-0.5662691350000001,1.0668149869,1.2520420189,1.2520420189,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-Mg,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-Mg +mp-1187896,Yb(Mg4Al3)4,-2.5348680834,-0.0489715648,0.0108149903,0.0108149903,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Yb,,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Yb, expected YbMg49Al48 to be Yb(Mg4Al3)4" +mp-865880,Yb(Mg4Al3)4,-2.5416503355,-0.0557538169,0.0040327383,0.0040327383,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Yb,,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Yb, expected Yb(Mg5Al)12 to be Yb(Mg4Al3)4" +mp-1096288,LiSi2Ir,-3.39813706,2.0013612167,2.4795053073,2.4795053073,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Li-Si,4.0,ABC2_oI8_71_a_b_e:Ir-Li-Si +mp-865933,LiSiIr2,-6.9502658825,-0.6974885683000001,0.0,-0.2330217731,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Si,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Si +mp-1096728,MnTc2Mo,-6.401286645,3.780949178,3.780949178,3.780949178,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Mo-Tc,4.0,ABC2_oI8_71_a_b_e:Mn-Mo-Tc +mp-862777,TmPaRu2,-8.597648785,-0.4628224942,0.0,-0.1776506425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Tm,4.0,AB2C_cF16_225_a_c_b:Pa-Ru-Tm +mp-1185450,LiTh2Tc,-6.768255705,0.0060638729,0.0587122554,0.0587122554,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tc-Th,4.0,ABC2_cF16_225_a_b_c:Li-Tc-Th +mp-1186598,PmHoIr2,-7.4787504675,-0.7262955794,0.0,-0.0994449206,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ir-Pm,4.0,AB2C_cF16_225_a_c_b:Ho-Ir-Pm +mp-867863,SmCu4Ag,-4.2010997983,-0.2097716619,0.0,-0.0306906771,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Sm,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Sm +mp-631559,TlCoMo2,-7.14857589,0.6419894004000001,0.6595458696000001,0.6595458696000001,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Mo-Tl,4.0,AB2C_cF16_216_a_bc_d:Co-Mo-Tl +mp-1184135,DyTmHg2,-2.900237925,-0.4777421767,0.00638524,0.00638524,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Tm,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Tm +mp-631411,CaTa2Tl,-6.405696045,0.6152535267,0.8379493025,0.8379493025,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ca-Ta-Tl,4.0,AB2C_cF16_216_a_bc_d:Ca-Ta-Tl +mp-680654,Sr3Rh4Pb13,-4.4267189585,-0.287212771,0.0,-0.0616771355,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Pb-Rh-Sr,40.0,"Invalid WP multiplicities - A13B4C3_cP40_223_2a3k_e_c:Pb-Rh-Sr, expected Sr3(Rh2Pb19)2 to be Sr3Rh4Pb13" +mp-1077334,ErMnNi4,-6.4425505467,-0.3008370763,0.0192108497,0.0192108497,GGA,F-43m,ABC4_cF24_216_a_c_e:Er-Mn-Ni,6.0,ABC4_cF24_216_a_c_e:Er-Mn-Ni +mp-11879,BaNiSn3,-4.42089505,-0.475329613,0.0,-0.0284944832,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ba-Ni-Sn,5.0,"Invalid WP multiplicities - ABC3_tI10_107_a_a_a2b:Ba-Ni-Sn, expected BaNiSn5 to be BaNiSn3" +mp-22708,Th3Co3Sb4,-6.808595054,-0.8003417445000001,0.0,-0.073634586,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Co-Sb-Th,20.0,A3B4C3_cI40_220_a_c_b:Co-Sb-Th +mp-867325,Pu2HgSb,-8.6964999575,-0.4544103913,0.0438182725,0.0438182725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pu-Sb,4.0,AB2C_cF16_225_a_c_b:Hg-Pu-Sb +mp-1183527,CaCeCd2,-2.701709205,-0.2555920662,0.0171894381,0.0171894381,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Ce,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Ce +mp-1185407,LiPrAu2,-3.9614864125,-0.6520882571000001,0.0158806725,0.0158806725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Pr,4.0,A2BC_cF16_225_c_a_b:Au-Li-Pr +mp-1097580,Li2TlSb,-1.763898845,0.8134736850000001,1.2913541596,1.2913541596,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Sb-Tl,4.0,A2BC_oI8_71_e_a_b:Li-Sb-Tl +mp-1184973,Li2TlSb,-3.0432113975,-0.4658388675,0.0120416071,0.0120416071,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sb-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Sb-Tl +mp-1212423,Ho12In3Fe2,-4.9325058329,-0.2157999476,0.0,-0.0152906368,GGA,I4/mmm,A2B12C3_tI34_139_e_hn_ac:Fe-Ho-In,17.0,A2B12C3_tI34_139_e_hn_ac:Fe-Ho-In +mp-1205755,TbSnIr,-6.6708932467,-0.8434358683000001,0.0,-0.1317184992,GGA,P-62m,ABC_hP9_189_ad_g_f:Ir-Sn-Tb,9.0,ABC_hP9_189_ad_g_f:Ir-Sn-Tb +mp-1079310,CeHgPd,-4.4187221078,-0.6131716644,0.0,-0.034329679,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Hg-Pd,9.0,ABC_hP9_189_f_g_ad:Ce-Hg-Pd +mp-30517,Sr3Sn13Rh4,-4.8479018387,-0.515394541,0.0,-0.0405116627,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Sr,40.0,A4B13C3_cP40_223_e_ak_c:Rh-Sn-Sr +mp-866081,MgSc2Os,-6.652162695,-0.2790162725,0.0061961168,0.0061961168,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Os-Sc,4.0,ABC2_cF16_225_a_b_c:Mg-Os-Sc +mp-1198974,La2ThSe5,-6.6003279372,-2.2546492062,0.0,-0.0419711977,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-Se-Th,32.0,A2B5C_oP32_62_d_3cd_c:La-Se-Th +mp-1222693,LaTh,-6.13893477,0.0359979075,0.0359979075,0.0359979075,GGA,R-3m,AB_hR6_166_a_b:La-Th,2.0,AB_hR6_166_a_b:La-Th +mp-1078825,SrCd2Pd,-2.6675099437,-0.4887212479,0.0,-0.0723473897,GGA,Cmcm,A2BC_oC16_63_f_c_c:Cd-Pd-Sr,8.0,A2BC_oC16_63_f_c_c:Cd-Pd-Sr +mp-20817,GePtSe,-5.4384467917,-0.7084225741,0.0,-0.1538370611,GGA,Pca2_1,ABC_oP12_29_a_a_a:Ge-Pt-Se,12.0,ABC_oP12_29_a_a_a:Ge-Pt-Se +mp-977439,Ce2ZnPb,-4.4602049425,-0.250562695,0.0688251104,0.0688251104,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Pb-Zn,4.0,A2BC_cF16_225_c_a_b:Ce-Pb-Zn +mp-1208616,Tb6Al39Cr8,-5.0225691955,-0.2846817666,0.0,-0.011246859,GGA,P6_3/mcm,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Cr-Tb,106.0,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Cr-Tb +mp-1198347,Tb6Al43Cr4,-4.5634598333,-0.2714193207,0.0,-0.0098301508,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Tb,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Tb +mp-1104540,Tb(Al2Cr)4,-5.8428326231,-0.2112047292,0.0219426539,0.0219426539,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Tb,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Tb +mp-1102248,TmAlAu,-4.6254101367,-0.7936457189,0.0,-0.0990537945,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Tm,12.0,ABC_oP12_62_c_c_c:Al-Au-Tm +mp-16627,TmAl7Au3,-4.1785284927,-0.4952091988,0.0,-0.0233050164,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Tm,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Tm, expected TmAl13Au3 to be TmAl7Au3" +mp-972272,TmAlAu2,-4.416653175,-0.7243593617,0.02462736,0.02462736,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Tm,4.0,AB2C_cF16_225_a_c_b:Al-Au-Tm +mp-1099096,CeMg14Cd,-1.8059255956,0.0228181303,0.0748685406,0.0748685406,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Ce-Mg, expected CeMg18Cd to be CeMg14Cd" +mp-1026738,CeMg14Cd,-1.7962721669,0.0324715591,0.0845219693,0.0845219693,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Ce-Mg, expected CeMg26Cd to be CeMg14Cd" +mp-1017489,CeMg6Cd,-2.0270567819,0.03015062,0.1078510393,0.1078510393,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Ce-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Ce-Mg, expected CeMg12Cd to be CeMg6Cd" +mp-1021271,CeMg6Cd,-2.02858234,0.0286250619,0.1063254812,0.1063254812,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Ce-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Ce-Mg, expected CeMg12Cd to be CeMg6Cd" +mp-1183727,CeMgCd2,-2.5744591475,-0.2296719662,0.0,-0.0315055637,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ce-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Ce-Mg +mp-1183801,Ce2MgCd,-3.59091977,0.00641726,0.1259747279,0.1259747279,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Ce-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Ce-Mg +mp-865142,DyMgZn2,-2.527414895,-0.3457763675,0.0,-0.0451104144,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Mg-Zn +mp-861876,LiAc2Si,-4.06798707,-0.1738393421,0.0,-0.0306365587,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Li-Si,4.0,A2BC_cF16_225_c_a_b:Ac-Li-Si +mp-861640,Ti2AlRe,-8.4349502225,-0.4396784604,0.0,-0.0372367925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Al-Re-Ti +mp-865416,LuThTc2,-8.2808026925,-0.1167810275,0.0914938587,0.0914938587,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tc-Th,4.0,AB2C_cF16_225_a_c_b:Lu-Tc-Th +mp-1225488,ErThRe4,-10.4665148692,-0.1732339025,0.0109002612,0.0109002612,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Er-Re-Th,12.0,AB4C_hP12_164_d_abi_d:Er-Re-Th +mp-1102143,ErRe2,-10.09081897,-0.2718945767,0.0,-0.2718945767,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Er-Re,12.0,AB2_hP12_194_f_ah:Er-Re +mp-1096560,HfZrRu2,-6.1453966175,3.1180270675,3.8612765175,3.8612765175,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ru-Zr,4.0,AB2C_oI8_71_a_e_b:Hf-Ru-Zr +mp-1184601,HfZrRu2,-9.98973381,-0.726310125,0.016939325,0.016939325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ru-Zr,4.0,AB2C_cF16_225_a_c_b:Hf-Ru-Zr +mp-865023,HfTc2Sb,-9.0740987625,-0.3722317225,0.0,-0.0373759739,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-Sb-Tc,4.0,ABC2_cF16_225_a_b_c:Hf-Sb-Tc +mp-12608,CuPt7,-5.8683205612,-0.0436780725,0.0,-0.003853135,GGA,Fm-3m,AB7_cF32_225_a_bd:Cu-Pt,8.0,AB7_cF32_225_a_bd:Cu-Pt +mp-1213433,CuPt3,-3.165519275,2.4126323825,2.4948510142,2.4948510142,GGA,Cmmm,AB3_oC8_65_a_de:Cu-Pt,4.0,AB3_oC8_65_a_de:Cu-Pt +mp-1093617,Cu2PtAu,-2.322774095,2.06308307,2.1723706088,2.1723706088,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Pt,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Pt +mp-12086,Cu3Pt,-4.731113535,-0.1389252025,0.0,-0.0592753275,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Pt,4.0,A3B_cP4_221_c_a:Cu-Pt +mp-644311,CuPt,-5.244469745,-0.15929975,0.0,-0.0584733995,GGA,R-3m,AB_hR6_166_a_b:Cu-Pt,2.0,AB_hR6_166_a_b:Cu-Pt +mp-1185493,LuHfIr2,-8.9784863225,-0.939734345,0.0402884275,0.0402884275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Ir-Lu,4.0,AB2C_cF16_225_a_c_b:Hf-Ir-Lu +mp-1206034,Lu6MnBi2,-5.29088843,-0.4054776887,0.0,-0.0491158782,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Lu-Mn,9.0,A2B6C_hP9_189_c_fg_b:Bi-Lu-Mn +mp-13155,Hf2Ag,-7.70133705,-0.1190256956,0.0,-0.042283505,GGA,I4/mmm,AB2_tI6_139_a_e:Ag-Hf,3.0,AB2_tI6_139_a_e:Ag-Hf +mp-1224331,Hf4AgPd,-8.2949473533,-0.3214150311,0.0014573483,0.0014573483,GGA,P4/mmm,AB4C_tP6_123_a_gh_d:Ag-Hf-Pd,6.0,"Invalid WP multiplicities - AB4C_tP6_123_a_g2h_d:Ag-Hf-Pd, expected Hf6AgPd to be Hf4AgPd" +mp-1184564,Hf3Ag,-8.0823062375,0.0937245358,0.1829938075,0.1829938075,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Hf,4.0,AB3_cP4_221_a_c:Ag-Hf +mp-13156,HfAg,-6.5099858025,-0.1151132858,0.0,-0.0258440142,GGA,P4/nmm,AB_tP4_129_c_c:Ag-Hf,4.0,AB_tP4_129_c_c:Ag-Hf +mp-865870,LiZr2Os,-7.87529597,-0.3173730808,0.0,-0.0467499274,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Zr,4.0,ABC2_cF16_225_a_b_c:Li-Os-Zr +mp-983426,PmDyCu2,-4.5882879375,-0.1993523119,0.0031551206,0.0031551206,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-Pm,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-Pm +mp-1185926,Mn2PdPt,-7.6786621175,-0.284900689,0.0,-0.0108275183,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Pd-Pt,4.0,A2BC_cF16_225_c_a_b:Mn-Pd-Pt +mp-865977,LuCdAg2,-3.05055176,-0.2733136883,0.0,-0.0072858817,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Lu,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Lu +mp-973956,Lu2CdAg,-3.5120021375,-0.3126654367,0.0,-0.0325948413,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Cd-Lu,4.0,ABC2_cF16_225_a_b_c:Ag-Cd-Lu +mp-1183358,BaRe3,-8.3383779925,1.4747611313,1.4747611313,1.4747611313,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Re,4.0,AB3_cF16_225_a_bc:Ba-Re +mp-631703,BaRe2Sn,-6.408018535,1.2963817563,1.6477036887,1.6477036887,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ba-Re-Sn,4.0,AB2C_cF16_216_a_bc_d:Ba-Re-Sn +mp-1183559,CaLuHg2,-2.2864666825,-0.5029889,0.0089738175,0.0089738175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Lu,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Lu +mp-1096129,La2HgRu,-3.3765337,1.4859905787,1.8361558964,1.8361558964,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-La-Ru,4.0,AB2C_oI8_71_a_e_b:Hg-La-Ru +mp-1184087,DyScRu2,-7.7902412175,-0.4182259613,0.0232954043,0.0232954043,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Dy-Ru-Sc +mp-1091395,ZrGeOs,-8.7509162767,-0.6182176383,0.0,-0.0814854792,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Os-Zr,9.0,ABC_hP9_189_ad_g_f:Ge-Os-Zr +mp-28884,Cs(FeAs)2,-5.694983198,-0.2642468776,0.0,-0.001428935,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Cs-Fe,5.0,A2BC2_tI10_139_e_a_d:As-Cs-Fe +mp-1120753,CsFe4As3,-6.17617272,-0.0820674166,0.1338891981,0.1338891981,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:As-Cs-Fe,8.0,A3BC4_tP8_123_ah_b_i:As-Cs-Fe +mp-979176,Tm2AgHg,-3.436673115,-0.4146963112,0.002017805,0.002017805,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Tm,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Tm +mp-1208832,SmLuSe3,-6.094963227,-2.1495090094,0.0024817747,0.0024817747,GGA,P2_1/m,AB3C_mP20_11_2e_6e_2e:Lu-Se-Sm,20.0,AB3C_mP20_11_2e_6e_2e:Lu-Se-Sm +mp-1225415,Dy2(InSn)3,-4.0993362138,-0.4121686594,0.0289725624,0.0289725624,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:Dy-In-Sn,8.0,A2B3C3_oP8_47_i_cl_def:Dy-In-Sn +mp-976286,HoErRh2,-6.89206453,-0.922378675,0.0085592999999999,0.0085592999999999,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Ho-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Ho-Rh +mp-866297,EuCdAu2,-5.009534655,-0.577620765,0.0,-0.0025649666,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Eu,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Eu +mp-11084,EuCdAu,-5.4475728333,-0.6296483133,0.0,-0.0698674203,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Cd-Eu,12.0,ABC_oP12_62_c_c_c:Au-Cd-Eu +mp-1225324,EuCdAu5,-4.3696223786,-0.43400787,0.0,-0.0275639081,GGA,I-4m2,A5BC_tI14_119_ah_b_c:Au-Cd-Eu,7.0,A5BC_tI14_119_ah_b_c:Au-Cd-Eu +mp-1077738,YbCdNi4,-4.540553545,-0.2767127517,0.0,-0.02567294,GGA,F-43m,AB4C_cF24_216_a_e_c:Cd-Ni-Yb,,AB4C_cF24_216_a_e_c:Cd-Ni-Yb +mp-1213109,Dy3(SbPd2)4,-5.6197471137,-0.8347191163000001,0.025813059,0.025813059,GGA,Fm-3m,A3B8C4_cF120_225_e_2f_abd:Dy-Pd-Sb,30.0,A3B8C4_cF120_225_e_2f_abd:Dy-Pd-Sb +mp-12041,DySbPd,-5.7152234717,-1.0766668417,0.048038255,-0.0709806679,GGA,P6_3mc,ABC_hP6_186_a_b_b:Dy-Pd-Sb,6.0,ABC_hP6_186_a_b_b:Dy-Pd-Sb +mp-1225491,DySbPd,-5.7632617267,-1.1247050967,0.0,-0.1190189229,GGA,F-43m,ABC_cF12_216_a_c_b:Dy-Pd-Sb,3.0,ABC_cF12_216_a_c_b:Dy-Pd-Sb +mp-1212864,Dy5SbPd2,-5.4612553944,-0.7709180119,0.0173725863,0.0173725863,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Dy-Pd-Sb,16.0,A5B2C_tI32_140_cl_h_a:Dy-Pd-Sb +mp-1220340,Nd2Ge3Pd,-5.5818783750000005,-0.817668335,0.0,-0.0097099333,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Pd,6.0,A3B2C_oP6_25_a2b_cd_a:Ge-Nd-Pd +mp-1206040,Nd2Ge6Pd,-5.2508139933,-0.5336646817,0.0371259258,0.0371259258,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Pd,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Pd +mp-4725,Nd(GePd)2,-5.710770664,-0.8359773115,0.0,-0.0775924981,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Nd-Pd,5.0,A2BC2_tI10_139_e_a_d:Ge-Nd-Pd +mp-1105807,NdGePd2,-5.8071969187,-0.8694621919000001,0.0,-0.0456438079,GGA,Pnma,ABC2_oP16_62_c_c_d:Ge-Nd-Pd,16.0,ABC2_oP16_62_c_c_d:Ge-Nd-Pd +mp-1079203,NdGe2Pd,-5.583711095,-0.7851898569,0.0,-0.0131595322,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Nd-Pd,8.0,A2BC_oC16_63_2c_c_c:Ge-Nd-Pd +mp-1192913,Gd(Al5Ru)2,-5.9131461092,-0.5223241385,0.0,-0.0370896842,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Gd-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Gd-Ru +mp-1087480,LuAlAu,-4.6452864722000005,-0.7984836889,0.0,-0.1111196018,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Au-Lu,9.0,ABC_hP9_189_f_bc_g:Al-Au-Lu +mp-16620,LuAl7Au3,-4.1707680332,-0.4833473668,0.0,-0.0130294511,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Lu,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Lu, expected LuAl13Au3 to be LuAl7Au3" +mp-1097255,TiReMo2,-6.213950325,4.2938795304,4.5115179487,4.5115179487,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Re-Ti,4.0,A2BC_oI8_71_e_a_b:Mo-Re-Ti +mp-1096178,Ti2ReMo,-5.7567174625,4.0135728696,4.2876701783,4.2876701783,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Re-Ti,4.0,ABC2_oI8_71_a_b_e:Mo-Re-Ti +mp-1096514,TiRe2Mo,-6.508568255,4.3989808692,4.6870068025,4.6305510564,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Re-Ti,4.0,AB2C_oI8_71_a_e_b:Mo-Re-Ti +mp-1187511,TiRe2Mo,-11.1955750575,-0.2880259333,0.0,-0.0564557461,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Re-Ti,4.0,AB2C_cF16_225_a_c_b:Mo-Re-Ti +mp-1079794,LuSiAg,-4.8089693056,-0.5493611211,0.0,-0.0399306611,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Lu-Si,9.0,ABC_hP9_189_f_g_bc:Ag-Lu-Si +mp-1216922,TiInCu2,-4.7192414575,-0.0078441858,0.1013800325,0.0810641272,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Cu-In-Ti,4.0,A2BC_tP4_123_h_a_b:Cu-In-Ti +mp-22725,TiInCu2,-4.82062149,-0.1092242183,0.0,-0.0203159053,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Ti,4.0,A2BC_cF16_225_c_a_b:Cu-In-Ti +mp-567159,Dy6Ti4Al43,-4.4966253932,-0.3403527555,0.0,-0.0257857308,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-Ti,106.0,"Invalid WP multiplicities - A43B6C4_hP106_193_5g6h10i9j15k20l_k_2b3g:Al-Dy-Ti, expected Dy6Ti11Al483 to be Dy6Ti4Al43" +mp-862989,Pm2AgPt,-5.2826985,-0.6815050079,0.0,-0.613739759,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pm-Pt,4.0,AB2C_cF16_225_a_c_b:Ag-Pm-Pt +mp-570615,BaThBr6,-4.6576376663,-2.32626227,0.0614488025,0.0614488025,GGA,Pmma,AB6C_oP16_51_e_efij_f:Ba-Br-Th,16.0,"Invalid WP multiplicities - AB6C_oP16_51_e_e2f3i3j_f:Ba-Br-Th, expected BaThBr15 to be BaThBr6" +mp-1183396,BaTh,-4.22259429,0.443822305,0.443822305,0.443822305,GGA,P-6m2,AB_hP2_187_a_d:Ba-Th,2.0,AB_hP2_187_a_d:Ba-Th +mp-984796,BaTh3,-5.66646662,0.3736708025,0.3736708025,0.3736708025,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Th,4.0,AB3_tI8_139_a_bd:Ba-Th +mp-1183363,Ba3Th,-2.8702974237000003,0.4223983437,0.4223983437,0.4223983437,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Th,8.0,A3B_hP8_194_h_c:Ba-Th +mp-1183331,Ba3Th,-2.8690260925,0.423669675,0.423669675,0.423669675,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Th,4.0,A3B_cP4_221_c_a:Ba-Th +mp-1183068,Ac2CdGa,-3.4000152,-0.3516812506,0.0,-0.0841679892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Cd-Ga,4.0,A2BC_cF16_225_c_a_b:Ac-Cd-Ga +mp-1183600,CaPr3,-4.0054246513,0.081654635,0.081654635,0.081654635,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ca-Pr,8.0,AB3_hP8_194_c_h:Ca-Pr +mp-1183584,CaPrRh2,-5.864153775,-0.4853734313,0.0267198169,0.0267198169,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pr-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Pr-Rh +mp-1077498,ErCu4Ag,-4.2102434917,-0.2440599094,0.0,-0.0516035161,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-Er,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-Er +mp-1184998,GdCdRh2,-7.960148955,-0.52824202,0.0118313163,0.0118313163,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Gd-Rh,4.0,ABC2_cF16_225_a_b_c:Cd-Gd-Rh +mp-989194,SnBrCl,-3.694004635,-1.2236256867,0.0734485087,0.0734485087,GGA,P4/nmm,ABC_tP6_129_a_c_c:Br-Cl-Sn,6.0,ABC_tP6_129_a_c_c:Br-Cl-Sn +mp-1096204,NaSrPb2,-1.5307358725,1.0785923492,1.4395802492,1.4395802492,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Pb-Sr,4.0,AB2C_oI8_71_a_e_b:Na-Pb-Sr +mp-865764,YbGdRh2,-8.33500567,-0.748919105,0.0,-0.0444224025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Rh-Yb,,AB2C_cF16_225_a_c_b:Gd-Rh-Yb +mp-1183965,CsEu,-5.276935,0.299267086,0.299267086,0.299267086,GGA,P-6m2,AB_hP2_187_a_d:Cs-Eu,2.0,AB_hP2_187_a_d:Cs-Eu +mp-638685,CsEuBr3,-5.513263593,-2.3509657606,0.0,-0.037399464,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Cs-Eu,20.0,"Invalid WP multiplicities - A3BC_oP20_62_4c4d_c_a:Br-Cs-Eu, expected CsEuBr12 to be CsEuBr3" +mp-1185569,CsEu3,-7.6446254375,0.2719765055,0.2719765055,0.2719765055,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Eu,4.0,AB3_cF16_225_a_bc:Cs-Eu +mp-1183769,Ce3Tm,-5.4296288813,0.1391468408,0.1391468408,0.1391468408,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Tm,8.0,A3B_hP8_194_h_c:Ce-Tm +mp-1184197,CeTmIn2,-4.3653945575,-0.3873215479,0.0,-0.0298622708,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-In-Tm,4.0,AB2C_cF16_225_a_c_b:Ce-In-Tm +mp-1183813,CeTm3,-4.756860175,0.0832886813,0.0832886813,0.0832886813,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Tm,4.0,AB3_tI8_139_a_bd:Ce-Tm +mp-1184850,HoTmRh2,-6.8852156075,-0.9385005992,0.009491285,0.009491285,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Tm,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Tm +mp-1186453,Pm2GaCu,-4.5103920575,-0.3532952231,0.0,-0.0881042112,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Pm,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Pm +mp-862906,PmGaCu2,-4.2847312975000005,-0.2904683762,0.0,-0.0162729692,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Pm,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Pm +mp-1002230,PuBi,-9.425787045,-0.371623315,0.0258702881,0.0258702881,GGA,Pm-3m,AB_cP2_221_a_b:Bi-Pu,2.0,AB_cP2_221_a_b:Bi-Pu +mp-22879,PuBi,-9.43417149,-0.38000776,0.0174858431,0.0174858431,GGA,Fm-3m,AB_cF8_225_a_b:Bi-Pu,2.0,AB_cF8_225_a_b:Bi-Pu +mp-1209700,Pu4Bi3,-10.2532527907,-0.4542784036,0.0,-0.1285574664,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Pu,14.0,A3B4_cI28_220_a_c:Bi-Pu +mp-861952,PuBi3,-6.178097895,0.269228535,0.4679753366,0.4679753366,GGA,I4/mmm,A3B_tI8_139_ad_b:Bi-Pu,4.0,A3B_tI8_139_ad_b:Bi-Pu +mp-861744,Pu2HgBi,-8.4636872375,-0.2937256988,0.0121118096,0.0121118096,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Hg-Pu,4.0,ABC2_cF16_225_a_b_c:Bi-Hg-Pu +mp-1080767,Eu(BiPd)2,-6.262947041,-0.603398305,0.0,-0.0463287521,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Bi-Eu-Pd,10.0,A2BC2_tP10_129_ac_c_bc:Bi-Eu-Pd +mp-865246,EuBi3,-5.9509179875000005,-0.50630069,0.0,-0.0088362138,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-Eu,4.0,A3B_cP4_221_c_a:Bi-Eu +mp-1184306,EuBiPd2,-6.717825875,-0.6035122375,0.0432353569,0.0432353569,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Eu-Pd,4.0,ABC2_cF16_225_a_b_c:Bi-Eu-Pd +mp-1077479,EuBi2,-6.642612655,-0.6632859683,0.0,-0.045497972,GGA,Cmcm,A2B_oC12_63_2c_c:Bi-Eu,6.0,A2B_oC12_63_2c_c:Bi-Eu +mp-1102891,EuBi2,-6.6307431192,-0.6514164325,0.0118695358,-0.0336284362,GGA,I4_1/amd,A2B_tI24_141_2e_e:Bi-Eu,12.0,A2B_tI24_141_2e_e:Bi-Eu +mp-1188517,Eu5Bi3,-8.7386682969,-0.8878587481,0.0,-0.0685759856,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Bi-Eu,16.0,A3B5_hP16_193_g_dg:Bi-Eu +mp-1104641,Eu4Bi3,-8.4433909557,-0.9363231571,0.0,-0.0897124706,GGA,I-43d,A3B4_cI28_220_a_c:Bi-Eu,14.0,A3B4_cI28_220_a_c:Bi-Eu +mp-1184377,Eu3Bi,-9.164102995,-0.5112293625000001,0.0806764696,0.0806764696,GGA,P6_3/mmc,AB3_hP8_194_c_h:Bi-Eu,8.0,AB3_hP8_194_c_h:Bi-Eu +mp-1206253,Eu2(BiPd)3,-4.7635623775,1.183327175,1.8312671275,1.8312671275,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Bi-Eu-Pd,8.0,A3B2C3_tP8_123_ag_g_bg:Bi-Eu-Pd +mp-1096266,La2CdPb,-1.9095734125,1.7173143475,2.2281622562,2.2281622562,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-La-Pb,4.0,AB2C_oI8_71_a_e_b:Cd-La-Pb +mp-580999,Ga2NiCl8,-3.8417562686,-1.4213360864,0.0016587877,0.0016587877,GGA,C2/c,A8B2C_mC44_15_4f_f_e:Cl-Ga-Ni,22.0,"Invalid WP multiplicities - A8B2C_mC44_15_12f_f_e:Cl-Ga-Ni, expected Ga2NiCl24 to be Ga2NiCl8" +mp-1212283,Ho4CdIr,-5.2144070521,-0.5325804821,0.0,-0.0266236742,GGA,F-43m,AB4C_cF96_216_e_efg_e:Cd-Ho-Ir,24.0,AB4C_cF96_216_e_efg_e:Cd-Ho-Ir +mp-981234,Yb2InSn,-3.0283714825,-0.5682534462000001,0.0109106406,0.0109106406,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Sn-Yb,,ABC2_cF16_225_a_b_c:In-Sn-Yb +mp-866481,Co2(SnTe)3,-4.8876025688,-0.4281939644,0.0,-0.0553244775,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Co-Sn-Te,32.0,A2B3C3_hR96_148_cf_2f_2f:Co-Sn-Te +mp-1080066,LiTmSn2,-3.9557173975,-0.3547418975,0.1675631591,0.1675631591,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Li-Sn-Tm,8.0,AB2C_oC16_63_c_2c_c:Li-Sn-Tm +mp-18189,LiTmSn,-4.0884331067,-0.6236563917,0.0,-0.0659581453,GGA,P6_3mc,ABC_hP24_186_bc_bc_ac:Li-Sn-Tm,24.0,"Invalid WP multiplicities - ABC_hP24_186_b2c_b2c_ac:Li-Sn-Tm, expected Li7Tm4Sn7 to be LiTmSn" +mp-1219580,Re9Mo3Se16,-7.8465193789,-0.6867951419,0.0176492075,0.0176492075,GGA,P1,A3B9C16_aP28_1_3a_9a_16a:Mo-Re-Se,28.0,A3B9C16_aP28_1_3a_9a_16a:Mo-Re-Se +mp-1219132,Re2MoSe4,-7.8378239471,-0.7352024628,0.0,-0.0058088546,GGA,P1,AB2C4_aP14_1_2a_4a_8a:Mo-Re-Se,14.0,AB2C4_aP14_1_2a_4a_8a:Mo-Re-Se +mp-1206018,MnGeAs2,-5.72270934,0.0531106493,0.2099249808,0.2099249808,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Ge-Mn,8.0,A2BC_tI16_122_d_a_b:As-Ge-Mn +mp-861960,CaInAu2,-3.4243922975,-0.5981303950000001,0.0052413845,0.0052413845,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-In,4.0,A2BC_cF16_225_c_a_b:Au-Ca-In +mp-645719,Ca4In3Au10,-3.4913165765,-0.6080065347,0.0,-0.0422893493,GGA,Cmce,A10B4C3_oC68_64_f2g_df_ae:Au-Ca-In,34.0,"Invalid WP multiplicities - A10B4C3_oC68_64_4f12g_2d2f_2a2e:Au-Ca-In, expected Ca4In3Au28 to be Ca4In3Au10" +mp-20378,CaInAu,-3.3448540675,-0.6677988642,0.0,-0.0380495955,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Ca-In,12.0,ABC_oP12_62_c_c_c:Au-Ca-In +mp-606503,Ca3InAu3,-3.40790032,-0.7521675529,0.0,-0.0027663368,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:Au-Ca-In,28.0,"Invalid WP multiplicities - A3B3C_oP28_62_11c_6c_c:Au-Ca-In, expected Ca6InAu11 to be Ca3InAu3" +mp-22602,CaIn2Au,-3.218345605,-0.52263327,0.0,-0.0217841219,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-Ca-In,8.0,ABC2_oC16_63_c_c_f:Au-Ca-In +mp-630875,Ca2In4Au3,-3.2761890983,-0.5162356894,0.00519993,0.00519993,GGA,Pnma,A3B2C4_oP36_62_3c_2c_4c:Au-Ca-In,36.0,"Invalid WP multiplicities - A3B2C4_oP36_62_10c_4c_14c:Au-Ca-In, expected Ca2In7Au5 to be Ca2In4Au3" +mp-1183067,Ac2ZnHg,-2.793595335,-0.3421518375,0.0,-0.1197851088,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Hg-Zn,4.0,A2BC_cF16_225_c_a_b:Ac-Hg-Zn +mp-29740,Tl(ZnSb)2,-2.711041696,-0.0830151267,0.017179554,0.017179554,GGA,I4cm,A2BC2_tI20_108_c_a_c:Sb-Tl-Zn,10.0,A2BC2_tI20_108_c_a_c:Sb-Tl-Zn +mp-982667,LiAl2Os,-5.55607801,-0.3992175208,0.0226117217,0.0226117217,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Os,4.0,A2BC_cF16_225_c_a_b:Al-Li-Os +mp-1096564,Sr2ZnCd,-0.32251664,1.0678884292,1.3344666956,1.3344666956,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Sr-Zn +mp-1218414,Sr2Zn3Cd,-1.60411116,-0.2572599106,0.010070965,0.010070965,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Cd-Sr-Zn,6.0,AB2C3_mC12_8_a_2a_3a:Cd-Sr-Zn +mp-1218397,Sr5ZnCd4,-1.638646289,-0.2987692973,0.0024656123,0.0024656123,GGA,P4/mmm,A4B5C_tP10_123_2g_c2h_b:Cd-Sr-Zn,10.0,"Invalid WP multiplicities - A4B5C_tP10_123_3g_c4h_b:Cd-Sr-Zn, expected Sr9ZnCd6 to be Sr5ZnCd4" +mp-862493,LiEr2Al,-3.9055747075,-0.2080906283,0.0117933635,0.0117933635,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Er-Li,4.0,AB2C_cF16_225_a_c_b:Al-Er-Li +mp-1187930,Yb2ZnHg,-1.639154445,-0.4784943112,0.0036555975,0.0036555975,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Yb-Zn,,AB2C_cF16_225_a_c_b:Hg-Yb-Zn +mp-1190852,LaSi10,-5.2948231273,0.0860120914,0.2543059068,0.2543059068,GGA,P6_3/mmc,AB10_hP22_194_c_b3h:La-Si,22.0,AB10_hP22_194_c_b3h:La-Si +mp-11859,La(SiAu)2,-5.12266215,-0.6557807170000001,0.0,-0.150608293,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-La-Si,5.0,A2BC2_tI10_139_d_a_e:Au-La-Si +mp-1223125,La2Si3,-5.826779712,-0.5971860520000001,0.059187102,0.059187102,GGA,Imm2,A2B3_oI10_44_ab_2ab:La-Si,5.0,A2B3_oI10_44_ab_2ab:La-Si +mp-18345,La5Si4,-5.8069410497,-0.6534624225,0.0012374025,0.0012374025,GGA,P4_12_12,A5B4_tP36_92_a2b_2b:La-Si,36.0,A5B4_tP36_92_a2b_2b:La-Si +mp-1101787,LaSi5,-5.4662383508,-0.1224721417,0.18606652,0.18606652,GGA,C2/m,AB5_mC24_12_i_5i:La-Si,12.0,AB5_mC24_12_i_5i:La-Si +mp-2062,LaSi2,-5.8792917117,-0.6170773233,0.0,-0.11942228,GGA,I4_1/amd,AB2_tI12_141_a_e:La-Si,6.0,AB2_tI12_141_a_e:La-Si +mp-10961,La5Si3,-5.6984271831,-0.5789284813000001,0.0,-0.0154231513,GGA,I4/mcm,A5B3_tI32_140_cl_ah:La-Si,16.0,A5B3_tI32_140_cl_ah:La-Si +mp-1189366,La5Si3,-5.64504318,-0.5255444781,0.0533840031,0.0379608519,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:La-Si,16.0,A5B3_hP16_193_dg_g:La-Si +mp-1860,LaSi,-5.883555845,-0.7028932775000001,0.0124236225,-0.0585271298,GGA,Pnma,AB_oP8_62_c_c:La-Si,8.0,AB_oP8_62_c_c:La-Si +mp-7083,LaSi,-5.8959794675,-0.7153168999999999,0.0,-0.0709507523,GGA,Cmcm,AB_oC16_63_2c_f:La-Si,8.0,AB_oC16_63_2c_f:La-Si +mp-10162,La3Si2,-5.732803827,-0.6010723520000001,0.005133813,0.005133813,GGA,P4/mbm,A3B2_tP10_127_ah_g:La-Si,10.0,A3B2_tP10_127_ah_g:La-Si +mp-1225524,Er2SiGe,-5.6251221525,-0.8291762763,0.0,-0.0083283175,GGA,Amm2,A2BC_oC8_38_ab_a_b:Er-Ge-Si,4.0,A2BC_oC8_38_ab_a_b:Er-Ge-Si +mp-861880,AcCdRh2,-5.296695285,-0.3535251581,0.0,-0.2632868271,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Cd-Rh,4.0,ABC2_cF16_225_a_b_c:Ac-Cd-Rh +mp-1186451,Pm2CoCu,-5.2645163225000005,-0.087364045,0.0,-0.0455178623,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cu-Pm,4.0,ABC2_cF16_225_a_b_c:Co-Cu-Pm +mp-28044,TmCl3,-5.2112022375,-2.7058408867,0.0,-0.9825716673,GGA,R-3c,A3B_hR24_167_e_b:Cl-Tm,8.0,A3B_hR24_167_e_b:Cl-Tm +mp-680292,Tm7Cl15,-4.8777470911,-2.1932517337,0.2666036178,0.2666036178,GGA,Pnma,A15B7_oP88_62_c7d_c3d:Cl-Tm,88.0,"Invalid WP multiplicities - A15B7_oP88_62_4c47d_3c16d:Cl-Tm, expected Tm5Cl14 to be Tm7Cl15" +mp-1214625,Ba2TmCl7,-4.9875572405,-2.8622030482,0.0010764545,0.0010764545,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Tm,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Tm +mp-27302,TmCl2,-4.8608019396,-2.1364990251,0.2686928741,0.2686928741,GGA,Pbca,A2B_oP24_61_2c_c:Cl-Tm,24.0,A2B_oP24_61_2c_c:Cl-Tm +mp-1093813,CrGaTc2,-5.175636205,3.1749691406,3.2238215894,3.2238215894,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Ga-Tc,4.0,ABC2_oI8_71_a_b_e:Cr-Ga-Tc +mp-861915,LiDy2Ir,-5.5696994475,-0.5794667658,0.0,-0.0225402602,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Li +mp-1222993,LaEuPd6,-6.4441681488,-0.6601306781,0.0316454725,0.0316454725,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Eu-La-Pd,8.0,ABC6_tP8_123_a_b_cdi:Eu-La-Pd +mp-1185217,LaEuPd2,-7.13242021,-0.7442270787,0.0220361487,0.0220361487,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-La-Pd,4.0,ABC2_cF16_225_a_b_c:Eu-La-Pd +mp-1096511,Ta2FeTc,-6.456519895,4.1800339588,4.5242947854,4.5242947854,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Ta-Tc,4.0,AB2C_oI8_71_a_e_b:Fe-Ta-Tc +mp-1190197,Er7(TeAu)2,-4.8913605045,-0.8178689176,0.052581145,0.052581145,GGA,C2/m,A2B7C2_mC44_12_2i_ad6i_2i:Au-Er-Te,22.0,A2B7C2_mC44_12_2i_ac6i_2i:Au-Er-Te +mp-975920,PrSmTl2,-3.9445756425,-0.3883810967,0.0005436825,0.0005436825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pr-Sm-Tl,4.0,ABC2_cF16_225_a_b_c:Pr-Sm-Tl +mp-19825,Pu2InPd2,-8.810933553,-0.481508751,0.0,-0.0672824748,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Pu,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Pu +mp-1207932,TmGa3Os,-5.4388771167,-0.4813789325,0.0,-0.0281469096,GGA,Pm-3m,A3BC_cP15_221_ag_c_d:Ga-Os-Tm,15.0,A3BC_cP15_221_ag_c_d:Ga-Os-Tm +mp-647243,Tm2Ga10Os3,-5.2745759153,-0.4135936912,0.0,-0.0047021494,GGA,P4/mbm,A10B3C2_tP30_127_fl_ah_g:Ga-Os-Tm,30.0,"Invalid WP multiplicities - A10B3C2_tP30_127_2f2l_2a2h_g:Ga-Os-Tm, expected TmGa10Os3 to be Tm2Ga10Os3" +mp-865339,Tm2GaOs,-6.218697175,-0.4169136002,0.0663944885,0.0663944885,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Ga-Os-Tm +mp-1184271,ErTmIn2,-4.06010732,-0.4233768967,0.0,-0.01068945,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Tm,4.0,AB2C_cF16_225_a_c_b:Er-In-Tm +mp-866285,ErSnRu2,-7.17541165,-0.3938877137,0.0,-0.0472137162,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Sn,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Sn +mp-1217325,TeAsRh,-5.5445499017,-0.4889725122,0.1029961233,0.1029961233,GGA,P2_13,ABC_cP12_198_a_a_a:As-Rh-Te,12.0,ABC_cP12_198_a_a_a:As-Rh-Te +mp-11151,NaPrTe2,-4.6349177456,-1.5374070368,0.0,-0.0664912711,GGA,Fd-3m,ABC2_cF64_227_c_d_e:Na-Pr-Te,16.0,ABC2_cF64_227_c_d_e:Na-Pr-Te +mp-11787,YbNdSe3,-5.269444015,-1.9103459859,0.1821847455,0.1821847455,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Nd-Se-Yb,,AB3C_oC20_63_c_cf_a:Nd-Se-Yb +mp-10500,Ho5Ni2Sb,-5.3900727344,-0.5649078656000001,0.0039519189,0.0039519189,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Ho-Ni-Sb,16.0,A5B2C_tI32_140_cl_h_a:Ho-Ni-Sb +mp-1092222,HoNiSb2,-5.4171091088,-0.7619721012,0.0234766925,0.0234766925,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ho-Ni-Sb,8.0,ABC2_tP8_129_c_a_bc:Ho-Ni-Sb +mp-1079761,Ho(NiSb)2,-5.501391795,-0.621254853,0.106182871,0.106182871,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ho-Ni-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ho-Ni-Sb +mp-4174,HoNiSb,-5.7984470133,-0.9679314167,0.0,-0.1484214817,GGA,F-43m,ABC_cF12_216_a_c_b:Ho-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Ho-Ni-Sb +mp-640383,Ho5NiSb2,-5.3941600878,-0.7753871491000001,0.0,-0.0051361186,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Ho-Ni-Sb,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_10c5d_c_d:Ho-Ni-Sb, expected Ho20NiSb2 to be Ho5NiSb2" +mp-1223952,Ho2NiSb4,-5.3205256157,-0.8261028471,0.0001331714,0.0001331714,GGA,P-4m2,A2BC4_tP7_115_g_c_abg:Ho-Ni-Sb,7.0,A2BC4_tP7_115_g_c_abg:Ho-Ni-Sb +mp-866069,MgScRh2,-6.476277,-0.8109357762,0.0,-0.062895515,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Sc +mp-866063,NdDyMg2,-3.238966655,-0.0950930619,0.0,-0.0007693775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Nd,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Nd +mp-1192962,Sr(YbSe2)2,-4.5465572711,-1.8676492819,0.1157388786,0.1157388786,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:Se-Sr-Yb,,A4BC2_oP28_62_4c_c_2c:Se-Sr-Yb +mp-1104953,Sc(CoGe)6,-6.2602017792,-0.3586215481,0.0,-0.0145644977,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Sc,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Sc +mp-1095261,ScCoGe,-6.750426825,-0.72915524,0.0,-0.0593187007,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Sc,12.0,ABC_oP12_62_c_c_c:Co-Ge-Sc +mp-1205523,Sc2CoGe2,-6.561900026,-0.7580376830000001,0.010573592,0.010573592,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Sc,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Sc +mp-21739,ScCoGe2,-6.2593840819,-0.5876734294,0.0034797594,0.0034797594,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Co-Ge-Sc,48.0,AB2C_oP48_55_ei_2g2hi_gi:Co-Ge-Sc +mp-1097253,ScCo2Ge,-3.928621935,2.3644112025,2.9112776325,2.9112776325,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Ge-Sc,4.0,A2BC_oI8_71_e_a_b:Co-Ge-Sc +mp-1208943,ScCo2Ge,-6.76429379,-0.4712606525,0.0756057775,0.0756057775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-Sc,4.0,A2BC_cF16_225_c_a_b:Co-Ge-Sc +mp-1192696,Sc4Co4Ge7,-6.3721862403,-0.6305634013,0.0,-0.0145936098,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Sc,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Sc +mp-31191,Sc3Co2Ge3,-6.627119855,-0.7417290463,0.0120862156,0.0120862156,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Ge-Sc,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Ge-Sc +mp-1190179,Sc4Co7Ge6,-6.6609687659,-0.6123647591,0.0,-0.0394407214,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Co-Ge-Sc,17.0,A7B6C4_cI34_229_ad_e_c:Co-Ge-Sc +mp-12466,Fe(PdSe)2,-5.617976331,-0.4536547739,0.0041203872,0.0041203872,GGA,Ibam,AB2C2_oI20_72_a_j_j:Fe-Pd-Se,10.0,AB2C2_oI20_72_a_j_j:Fe-Pd-Se +mp-1184217,ErMgRh2,-5.97991194,-0.75575829,0.0,-0.0499474975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Er-Mg-Rh +mp-1212943,Er4MgRh,-4.9465321767,-0.4072883167,0.0,-0.0195514804,GGA,F-43m,A4BC_cF96_216_efg_e_e:Er-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:Er-Mg-Rh +mp-862727,Pm2ZnPb,-4.0271560775,-0.4087872463,0.0,-0.1248233642,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pm-Zn,4.0,AB2C_cF16_225_a_c_b:Pb-Pm-Zn +mp-1096302,Sr2GaHg,-0.6917368975,0.985953926,1.4586178818,1.4586178818,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-Sr,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-Sr +mp-1187068,Sr2GaHg,-2.1311637775,-0.453472954,0.0191910018,0.0191910018,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Hg-Sr,4.0,ABC2_cF16_225_a_b_c:Ga-Hg-Sr +mp-1191224,Ce2Mg17Ru4,-3.4848667457,-0.1731906883,0.0,-0.0048692303,GGA,I-42m,A2B17C4_tI46_121_e_agij_i:Ce-Mg-Ru,23.0,A2B17C4_tI46_121_e_agij_i:Ce-Mg-Ru +mp-866461,Ce4MgRu,-5.8691646412,-0.1013247729,0.0570860756,0.0570860756,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ce-Mg-Ru,24.0,"Invalid WP multiplicities - A4BC_cF96_216_2e2f2g_e_e:Ce-Mg-Ru, expected Ce8MgRu to be Ce4MgRu" +mp-1199279,CeMg5Ru2,-4.2943957844,-0.2339839738,0.0,-0.0437770166,GGA,P4_2/ncm,AB5C2_tP32_138_e_cj_i:Ce-Mg-Ru,32.0,AB5C2_tP32_138_e_cj_i:Ce-Mg-Ru +mp-1185541,CsNa3,-1.1332909125,0.0824536506,0.0824536506,0.0824536506,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-Na,4.0,AB3_cF16_225_a_bc:Cs-Na +mp-1095650,CsNa2,-1.1507804033,0.029370583,0.029370583,0.029370583,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Cs-Na,12.0,AB2_hP12_194_f_ah:Cs-Na +mp-8658,CsNaSe,-3.1490539317,-1.2444408839,0.0,-0.032113345,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cs-Na-Se,6.0,ABC_tP6_129_c_a_c:Cs-Na-Se +mp-1097439,HfTiRe2,-6.4700432575,4.2153905967,4.6091245015,4.6091245015,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Re-Ti,4.0,AB2C_oI8_71_a_e_b:Hf-Re-Ti +mp-1218064,TaAlFe,-8.3499966808,-0.3255384575,0.0682881056,0.0682881056,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Ta, expected Ta3(AlFe)2 to be TaAlFe" +mp-1218027,TaAlFe4,-8.4470952925,-0.1998555758,0.1018950575,0.1018950575,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Fe-Ta,12.0,AB4C_hP12_164_d_abi_d:Al-Fe-Ta +mp-867249,TaAlFe2,-8.58847492,-0.45262595,0.0,-0.1725446186,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Ta +mp-1218090,Ta3AlFe8,-9.1422788442,-0.2190223108,0.0298467992,0.0298467992,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Fe-Ta,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Fe-Ta +mp-862814,PaSiTc2,-9.2183441825,-0.3030290375,0.0,-0.0468390621,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pa-Si-Tc,4.0,ABC2_cF16_225_a_b_c:Pa-Si-Tc +mp-1186408,PaSi3,-6.7919832225,-0.344328535,0.0135172775,-0.250934875,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Si,8.0,AB3_hP8_194_c_h:Pa-Si +mp-862820,PaSi3,-6.8055005,-0.3578458125,0.0,-0.2644521525,GGA,Pm-3m,AB3_cP4_221_a_c:Pa-Si,4.0,AB3_cP4_221_a_c:Pa-Si +mp-862861,Pa3Si,-8.7725089825,-0.28018098,0.0,-0.1608990425,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Si,4.0,A3B_cP4_221_c_a:Pa-Si +mp-866142,TiGaIr2,-7.8326434675,-0.6825293677000001,0.0001007145,0.0001007145,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ir-Ti,4.0,AB2C_cF16_225_a_c_b:Ga-Ir-Ti +mp-1193995,Ti6Ga16Ir7,-5.9342910362,-0.4966521493,0.023319744,0.023319744,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Ti +mp-1103248,TiSiIr,-8.3894453875,-1.0030306453,0.0,-0.241458239,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Ti,12.0,ABC_oP12_62_c_c_c:Ir-Si-Ti +mp-861724,Ac2AgIr,-5.350400815,-0.3720657654,0.0,-0.2450119356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ac-Ag-Ir,4.0,A2BC_cF16_225_c_a_b:Ac-Ag-Ir +mp-865663,YbLuRh2,-6.042874225,-0.84558059,0.0,-0.027552495,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Yb,,AB2C_cF16_225_a_c_b:Lu-Rh-Yb +mp-1186492,PaInTc2,-8.3358232325,-0.0889166625,0.0,-0.0502405108,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Pa-Tc,4.0,ABC2_cF16_225_a_b_c:In-Pa-Tc +mp-1188046,ZrPaTc2,-10.012264065,-0.31635327,0.0,-0.0801958419,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Zr,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Zr +mp-865308,Be2CuRh,-5.15794324,-0.4223581725,0.0,-0.0493351094,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Cu-Rh,4.0,A2BC_cF16_225_c_a_b:Be-Cu-Rh +mp-1186566,PmErTl2,-3.8578771125,-0.346990256,0.0,-0.0650339269,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Pm-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Pm-Tl +mp-865599,Lu2RuPt,-7.0230849425,-0.9262257175,0.0,-0.0230670688,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Pt-Ru,4.0,A2BC_cF16_225_c_a_b:Lu-Pt-Ru +mp-867311,AcAgTe2,-4.3458412675,-1.0357555681,0.0,-0.1668074263,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-Ag-Te,4.0,ABC2_cF16_225_a_b_c:Ac-Ag-Te +mp-1207314,Ho2AgSb3,-1.8587689967,2.2052939139,3.0365316069,3.0365316069,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Ag-Ho-Sb,6.0,AB2C3_tP6_123_a_g_bg:Ag-Ho-Sb +mp-1190159,Sc7NiBr12,-5.2958567985,-1.8586687798,0.0,-0.099856571,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Br-Ni-Sc,20.0,A12BC7_hR60_148_2f_a_bf:Br-Ni-Sc +mp-862565,ScBr2,-4.9987268717,-1.8525516167,0.0422697467,0.0422697467,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Sc,6.0,A2B_tP6_136_f_a:Br-Sc +mp-1186984,ScBr3,-4.8795625575,-2.1316740337,0.0,-0.7422603213000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Sc,8.0,A3B_hP8_194_h_c:Br-Sc +mp-1097469,SrLaPt2,-4.015876555,0.6760652446000001,1.6612608634,1.6612608634,GGA,Immm,AB2C_oI8_71_a_e_b:La-Pt-Sr,4.0,AB2C_oI8_71_a_e_b:La-Pt-Sr +mp-1187188,SrLaPt2,-5.6283783175,-0.9364365179,0.0487591009,0.0487591009,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Pt-Sr,4.0,AB2C_cF16_225_a_c_b:La-Pt-Sr +mp-867774,Ta2CrOs,-11.45739374,-0.3084012,0.0,-0.0600164975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Os-Ta,4.0,ABC2_cF16_225_a_b_c:Cr-Os-Ta +mp-1097387,Li2RhAu,-2.3299498125,1.2840590883,1.6496770425,1.6496770425,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Li-Rh,4.0,AB2C_oI8_71_a_e_b:Au-Li-Rh +mp-1205655,Nd(Sn3Ru2)2,-6.3310159582,-0.3379988016,0.0,-0.0391317739,GGA,I-42m,AB4C6_tI22_121_a_i_ci:Nd-Ru-Sn,11.0,AB4C6_tI22_121_a_i_ci:Nd-Ru-Sn +mp-1220534,Nd2Sn4Ru,-5.5128612729,-0.5344348693000001,0.0279604875,0.0279604875,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Nd-Ru-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:Nd-Ru-Sn +mp-1198161,NdSn3Ru,-5.6915684787,-0.4773153712,0.0,-0.0039950547,GGA,Pm-3n,ABC3_cP40_223_ac_e_k:Nd-Ru-Sn,40.0,ABC3_cP40_223_ac_e_k:Nd-Ru-Sn +mp-1226622,CeGaAg,-4.31270132,-0.3814542597,0.0309791917,0.0063863575,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ce-Ga,6.0,ABC_mC12_12_i_i_i:Ag-Ce-Ga +mp-1077578,CeGaAg,-4.3436805117,-0.4124334514,0.0,-0.0245928342,GGA,Imm2,ABC_oI12_44_c_ab_c:Ag-Ce-Ga,6.0,ABC_oI12_44_c_ab_c:Ag-Ce-Ga +mp-1095574,CeGaAg,-4.24559644,-0.3143493797,0.0980840717,0.0734912375,GGA,Pmna,ABC_oP12_53_h_h_h:Ag-Ce-Ga,12.0,ABC_oP12_53_h_h_h:Ag-Ce-Ga +mp-1226621,CeGa3Ag,-3.992163816,-0.4221771708,0.0211236037,0.0211236037,GGA,I-4m2,ABC3_tI10_119_a_c_bf:Ag-Ce-Ga,5.0,ABC3_tI10_119_a_c_bf:Ag-Ce-Ga +mp-1183804,DyErTl2,-3.7996962025,-0.3247482167,0.0,-0.005239105,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Er-Tl,4.0,ABC2_cF16_225_a_b_c:Dy-Er-Tl +mp-1096630,Zr2IrPd,-5.1514707425,2.62695857,3.3944170265,3.3944170265,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pd-Zr,4.0,ABC2_oI8_71_a_b_e:Ir-Pd-Zr +mp-865361,Tm2MgOs,-5.642618025,-0.1977884433,0.0489334719,0.0489334719,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Os-Tm,4.0,ABC2_cF16_225_a_b_c:Mg-Os-Tm +mp-976418,Nd3Ho,-4.7043838675,0.0173289244,0.0173289244,0.0173289244,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-Nd,4.0,AB3_tI8_139_a_bd:Ho-Nd +mp-1186276,Nd3Ho,-4.6935468087,0.0281659831,0.0281659831,0.0281659831,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Nd,8.0,AB3_hP8_194_c_h:Ho-Nd +mp-976420,Nd3Ho,-4.7132717725,0.0084410194,0.0084410194,0.0084410194,GGA,Pm-3m,AB3_cP4_221_a_c:Ho-Nd,4.0,AB3_cP4_221_a_c:Ho-Nd +mp-975933,NdHoIn2,-4.17810603,-0.4646250894,0.0,-0.00246386,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-In-Nd,4.0,AB2C_cF16_225_a_c_b:Ho-In-Nd +mp-1186315,NdHo3,-4.6026913775,0.0261521331,0.0261521331,0.0261521331,GGA,I4/mmm,A3B_tI8_139_ad_b:Ho-Nd,4.0,A3B_tI8_139_ad_b:Ho-Nd +mp-973685,NdHo3,-4.60998704,0.0188564706,0.0188564706,0.0188564706,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ho-Nd,8.0,A3B_hP8_194_h_c:Ho-Nd +mp-978094,NdHo3,-4.6069786725,0.0218648381,0.0218648381,0.0218648381,GGA,Pm-3m,A3B_cP4_221_c_a:Ho-Nd,4.0,A3B_cP4_221_c_a:Ho-Nd +mp-1184362,Gd2CdHg,-7.76415847,-0.4194548187,0.008435705,0.008435705,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Gd-Hg,4.0,AB2C_cF16_225_a_c_b:Cd-Gd-Hg +mp-865745,GdCdHg2,-4.29129819,-0.3897050075,0.0,-0.0470524538,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Gd-Hg,4.0,ABC2_cF16_225_a_b_c:Cd-Gd-Hg +mp-13964,HfGeTe,-6.7134806083,-0.8056396822,0.0,-0.0174925075,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Hf-Te,6.0,ABC_tP6_129_a_c_c:Ge-Hf-Te +mp-567817,HfGeTe4,-5.2695085542,-0.7439351444000001,0.0,-0.0024390281,GGA,Cmc2_1,ABC4_oC24_36_a_a_4a:Ge-Hf-Te,12.0,"Invalid WP multiplicities - ABC4_oC24_36_a_a_7a:Ge-Hf-Te, expected HfGeTe7 to be HfGeTe4" +mp-1096418,Hf2CuNi,-4.2693711925,3.17905916,3.5246335362,3.5246335362,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Hf-Ni,4.0,AB2C_oI8_71_a_e_b:Cu-Hf-Ni +mp-568588,NdTlSe2,-5.141318005,-1.6106646214,0.0,-0.0874068429,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Nd-Se-Tl +mp-568380,Tl5Se3,-3.2990433272,-0.5114245564000001,0.0,-0.1280413083,GGA,P4/n,A3B5_tP32_85_2cg_2c2g:Se-Tl,32.0,"Invalid WP multiplicities - A3B5_tP32_85_4c3g_4c11g:Se-Tl, expected Tl3Se to be Tl5Se3" +mp-1080677,Tl2Se3,-3.533803406,-0.4911992607,0.0,-0.0822571295,GGA,C2/c,A3B2_mC20_15_ef_f:Se-Tl,10.0,A3B2_mC20_15_ef_f:Se-Tl +mp-1836,TlSe,-3.4404549762,-0.5111776641,0.0,-0.0109893831,GGA,I4/mcm,AB_tI16_140_h_ab:Se-Tl,8.0,AB_tI16_140_h_ab:Se-Tl +mp-10647,TlSe,-3.244219795,-0.3149424828,0.1962351812,0.1852457982,GGA,Pm-3m,AB_cP2_221_a_b:Se-Tl,2.0,AB_cP2_221_a_b:Se-Tl +mp-11431,CaGa3Ni2,-4.2568837567,-0.4818568721,0.0,-0.012023221,GGA,Cmcm,AB3C2_oC24_63_c_cg_e:Ca-Ga-Ni,12.0,"Invalid WP multiplicities - AB3C2_oC24_63_c_c2g_e:Ca-Ga-Ni, expected CaGa5Ni2 to be CaGa3Ni2" +mp-11285,Ca3(GaNi)4,-4.2371279109,-0.4871524155,0.0,-0.0679133441,GGA,I-43m,A3B4C4_cI22_217_b_c_c:Ca-Ga-Ni,11.0,A3B4C4_cI22_217_b_c_c:Ca-Ga-Ni +mp-1080561,CaGa2Ni,-3.9660056338,-0.5055234825,0.0,-0.01139447,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ca-Ga-Ni,8.0,AB2C_oC16_63_c_f_c:Ca-Ga-Ni +mp-22346,BaGe3Pt,-5.004205486,-0.632367121,0.0,-0.0813108828,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Ge-Pt,5.0,AB3C_tI10_107_a_ab_a:Ba-Ge-Pt +mp-642304,Ba(Ge3Pt)4,-5.1739854094,-0.3692887929,0.0,-0.0013670637,GGA,Im-3,AB12C4_cI34_204_a_g_c:Ba-Ge-Pt,17.0,AB12C4_cI34_204_a_g_c:Ba-Ge-Pt +mp-1201052,Ba4Ge20Pt3,-4.7591808944,-0.3758528641,0.0343795918,0.0343795918,GGA,Pm-3n,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Pt,54.0,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Pt +mp-22151,BaGePt,-5.1045565567,-0.9001778517000001,0.0,-0.2159907878,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-Ge-Pt,12.0,ABC_cP12_198_a_a_a:Ba-Ge-Pt +mp-1077244,GdZnGa,-6.6862717400000005,-0.5649511158,0.0,-0.0421581267,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Gd-Zn,6.0,ABC_hP6_194_c_a_d:Ga-Gd-Zn +mp-1184388,Gd2ZnGa,-8.6091200075,-0.4990989794,0.0,-0.0010142987,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Gd-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Gd-Zn +mp-1224970,Gd(ZnGa)2,-4.958200026,-0.427839725,0.0063373064,0.0063373064,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ga-Gd-Zn,,A2BC2_tI10_139_d_a_e:Ga-Gd-Zn +mp-1216557,TmAlGa,-4.2927938633,-0.5429581047,0.0067376967,0.0067376967,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Ga-Tm,6.0,ABC_mC12_12_i_i_i:Al-Ga-Tm +mp-1216531,TmAlGa,-4.2893328767,-0.5394971181,0.0101986833,0.0101986833,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Tm,3.0,ABC_hP3_187_a_c_f:Al-Ga-Tm +mp-1096379,AlNiRh2,-3.4873704975,2.576211565,3.1206975125,3.1206975125,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ni-Rh,4.0,ABC2_oI8_71_a_b_e:Al-Ni-Rh +mp-1220041,PrGdZn2,-5.6768524775,-0.3327236738,0.0029461875,0.0029461875,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Gd-Pr-Zn,4.0,ABC2_tP4_123_a_b_h:Gd-Pr-Zn +mp-865814,YbMgHg2,-1.41347647,-0.476664205,0.0,-0.0437160415,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Yb,,A2BC_cF16_225_c_a_b:Hg-Mg-Yb +mp-1096050,MgAlPt2,-2.998814095,1.373216535,2.2502226856,2.2502226856,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Al-Mg-Pt +mp-1185691,Mg16Al12Pt,-2.73697634,-0.0948203372,0.0234177382,0.0234177382,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Pt,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Pt, expected Mg26Al20Pt to be Mg16Al12Pt" +mp-1185700,Mg16Al12Pt,-2.7205477021,-0.0783916993,0.0398463761,0.0398463761,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pt,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Pt, expected Mg49Al39Pt to be Mg16Al12Pt" +mp-1185743,Mg17Al11Pt,-2.670777671,-0.1025973848,0.0156580728,0.0156580728,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Pt,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Pt, expected Mg27Al19Pt to be Mg17Al11Pt" +mp-569597,Np(FeSi)2,-8.428785822,-0.2810941897,0.0996893033,0.0996893033,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Np-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Np-Si +mp-1183613,CaGdPd2,-7.380037015,-0.7696655800000001,0.0091977134,0.0091977134,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Gd-Pd,4.0,ABC2_cF16_225_a_b_c:Ca-Gd-Pd +mp-979981,AcYbGa2,-3.3967943975,-0.4675505644,0.0,-0.0079717531,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ac-Ga-Yb,,AB2C_cF16_225_a_c_b:Ac-Ga-Yb +mp-1187520,YbSmAg2,-3.350052515,-0.3692259096,0.0,-0.0230872,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sm-Yb,,A2BC_cF16_225_c_a_b:Ag-Sm-Yb +mp-30233,Na3As7,-3.9255605085,-0.267420037,0.0,-0.0353860557,GGA,P2_1/c,A7B3_mP80_14_14e_6e:As-Na,80.0,"Invalid WP multiplicities - A7B3_mP80_14_17e_6e:As-Na, expected Na6As17 to be Na3As7" +mp-1186057,Na3Hf,-2.5939494375,0.8872417901,0.8872417901,0.8872417901,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-Na,8.0,AB3_hP8_194_c_h:Hf-Na +mp-1186043,Na3Hf,-2.5987322125,0.8824590151,0.8824590151,0.8824590151,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-Na,4.0,AB3_cP4_221_a_c:Hf-Na +mp-655,Na3As,-2.5707771467,-0.4141035753,0.0,-0.1943241608,GGA,P6_3cm,AB3_hP24_185_c_ab2c:As-Na,24.0,AB3_hP24_185_c_ab2c:As-Na +mp-1136,Na3As,-2.5696738812,-0.4130003099,0.0011032654,-0.1932208954,GGA,P6_3/mmc,AB3_hP8_194_c_bf:As-Na,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_b2f:As-Na, expected Na5As to be Na3As" +mp-8860,Na3As,-2.5261818325,-0.3695082612,0.0445953142,-0.1497288466,GGA,Fm-3m,AB3_cF16_225_a_bc:As-Na,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:As-Na, expected Na5As to be Na3As" +mp-541236,Na5HfAs3,-3.9761505917,-0.5820205125,0.0,-0.0413061274,GGA,P2_1/c,A3BC5_mP36_14_3e_e_5e:As-Hf-Na,36.0,A3BC5_mP36_14_3e_e_5e:As-Hf-Na +mp-1106381,NaAs,-3.3775451513,-0.386723302,0.0,-0.0228084564,GGA,P2_1/c,AB_mP16_14_2e_2e:As-Na,16.0,AB_mP16_14_2e_2e:As-Na +mp-1188662,NaAs,-3.3771096,-0.3862877508,0.0004355513,-0.0223729051,GGA,P2_12_12_1,AB_oP16_19_2a_2a:As-Na,16.0,AB_oP16_19_2a_2a:As-Na +mp-1009223,NaAs,-3.225111435,-0.2342895858,0.1524337163,0.1296252599,GGA,P4/mmm,AB_tP2_123_a_d:As-Na,2.0,AB_tP2_123_a_d:As-Na +mp-1080834,Na5As4,-3.1961745244,-0.3907189592,0.002088848,0.002088848,GGA,C2/m,A4B5_mC18_12_2i_a2i:As-Na,9.0,A4B5_mC18_12_2i_a2i:As-Na +mp-1077399,NaAs2,-3.608322865,-0.0614021639,0.2259017506,0.2259017506,GGA,Fd-3m,A2B_cF24_227_c_b:As-Na,6.0,A2B_cF24_227_c_b:As-Na +mp-975589,Ho6Bi2Rh,-5.3538543644,-0.6272166589,0.0109531593,0.0109531593,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Ho-Rh,9.0,A2B6C_hP9_189_c_fg_b:Bi-Ho-Rh +mp-1205953,HoBiRh,-6.0171196133,-0.7547176567,0.0,-0.0678600608,GGA,P-62m,ABC_hP9_189_f_g_bc:Bi-Ho-Rh,9.0,ABC_hP9_189_f_g_bc:Bi-Ho-Rh +mp-866116,HoTaRu2,-9.14214743,-0.394899535,0.0,-0.0563450118,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Ta +mp-567201,PrCu6,-4.3209055754,-0.1243133218,0.0027383704,0.0027383704,GGA,P2_1/c,A6B_mP28_14_6e_e:Cu-Pr,28.0,"Invalid WP multiplicities - A6B_mP28_14_18e_e:Cu-Pr, expected PrCu18 to be PrCu6" +mp-30698,PrCu6,-4.3212011243,-0.1246088707,0.0024428214,0.0024428214,GGA,Pnma,A6B_oP28_62_4cd_c:Cu-Pr,28.0,A6B_oP28_62_4cd_c:Cu-Pr +mp-1219996,PrCu4Pd,-4.6732575817,-0.2803218742,0.0,-0.0117913158,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Cu-Pd-Pr,6.0,A4BC_hP6_187_ak_c_e:Cu-Pd-Pr +mp-1079091,PrCu,-4.591817075,-0.1517608625,0.0,-0.007008745,GGA,Pnma,AB_oP8_62_c_c:Cu-Pr,8.0,AB_oP8_62_c_c:Cu-Pr +mp-2462,PrCu5,-4.3610501583,-0.1482269742,0.0,-0.0150688594,GGA,P6/mmm,A5B_hP6_191_cg_a:Cu-Pr,6.0,A5B_hP6_191_cg_a:Cu-Pr +mp-975642,Pr3Cu,-4.4532377375,0.1572432463,0.2331236775,0.2331236775,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Pr,4.0,AB3_tI8_139_a_bd:Cu-Pr +mp-1219819,PrCu3Pd2,-4.9547140633,-0.3816658325,0.0124863225,0.0124863225,GGA,Imm2,A3B2C_oI12_44_ac_d_b:Cu-Pd-Pr,6.0,A3B2C_oI12_44_ac_d_b:Cu-Pd-Pr +mp-1071904,PrCu2,-4.5194425217,-0.1930028233,0.0,-0.043008905,GGA,Imma,A2B_oI12_74_h_e:Cu-Pr,6.0,A2B_oI12_74_h_e:Cu-Pr +mp-20307,Np(CuGe)2,-6.049941456,0.0285082903,0.1391760347,0.1391760347,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Np,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Np +mp-865415,YbTmPt2,-5.7406448050000005,-1.2012172192,0.0,-0.0068695926,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Tm-Yb,,A2BC_cF16_225_c_a_b:Pt-Tm-Yb +mp-1187987,Yb3Tm,-2.13829739,0.1353676758,0.1353676758,0.1353676758,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tm-Yb,,AB3_hP8_194_c_h:Tm-Yb +mp-980196,YbTm3,-3.6123164725,0.129462165,0.129462165,0.129462165,GGA,I4/mmm,A3B_tI8_139_ad_b:Tm-Yb,,A3B_tI8_139_ad_b:Tm-Yb +mp-1096541,LiSc2Pd,-3.08365163,1.8547840917,2.3506193667,2.3506193667,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pd-Sc,4.0,ABC2_oI8_71_a_b_e:Li-Pd-Sc +mp-1185433,LiSc2Pd,-5.3847662225,-0.4463305008,0.0495047742,0.0495047742,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-Sc,4.0,ABC2_cF16_225_a_b_c:Li-Pd-Sc +mp-865184,LiScPd2,-5.38284445,-0.7325555521,0.0,-0.0341385569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Sc,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Sc +mp-865082,NaCaAu2,-3.049678145,-0.5807058516,0.0056310635,0.0056310635,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ca-Na,4.0,A2BC_cF16_225_c_a_b:Au-Ca-Na +mp-1194204,Hf9FeRe4,-10.8693259489,-0.3076951475,0.0,-0.0523787627,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Fe-Hf-Re,28.0,AB9C4_hP28_194_c_hk_ah:Fe-Hf-Re +mp-1097527,Hf2FeRe,-6.2728902675,3.9343413462,4.2777719768,4.2777719768,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Hf-Re,4.0,AB2C_oI8_71_a_e_b:Fe-Hf-Re +mp-5848,ErZrSb,-6.5888159933,-0.8406757667,0.0,-0.0428265081,GGA,I4/mmm,ABC_tI12_139_e_e_c:Er-Sb-Zr,6.0,ABC_tI12_139_e_e_c:Er-Sb-Zr +mp-1225381,ErZr,-6.482477635,0.075232085,0.075232085,0.075232085,GGA,P-6m2,AB_hP2_187_a_d:Er-Zr,2.0,AB_hP2_187_a_d:Er-Zr +mp-1095873,LiZrHg2,-1.27264831,1.4933477467,1.76511451,1.76511451,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Li-Zr,4.0,A2BC_oI8_71_e_a_b:Hg-Li-Zr +mp-1097213,TaTc2Ge,-5.79136215,3.5091586937,3.820817245,3.7580012075,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Ta-Tc,4.0,ABC2_oI8_71_a_b_e:Ge-Ta-Tc +mp-1187252,TaTc2Ge,-9.612179395,-0.3116585512,0.0,-0.0628160375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Ta-Tc,4.0,ABC2_cF16_225_a_b_c:Ge-Ta-Tc +mp-866196,Li2PrIn,-3.1555888575,-0.3179800529,0.0,-0.0531081112,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Pr,4.0,AB2C_cF16_225_a_c_b:In-Li-Pr +mp-10783,RbHoSe2,-5.10051753,-1.9618260555,0.0,-0.1578192881,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Ho-Rb-Se +mp-974962,Rb3Ho,-1.2402366375,0.6407661344000001,0.6407661344000001,0.6407661344000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Ho-Rb,4.0,AB3_cF16_225_a_bc:Ho-Rb +mp-1093691,Ta2FeRu,-6.316837225,4.0481575275,4.3033417629,4.3033417629,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Ru-Ta,4.0,ABC2_oI8_71_a_b_e:Fe-Ru-Ta +mp-1186768,Ta2FeRu,-10.6006035875,-0.235608835,0.0195754004,0.0195754004,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ru-Ta,4.0,ABC2_cF16_225_a_b_c:Fe-Ru-Ta +mp-867216,TaFeRu2,-9.915051335,-0.195900355,0.0,-0.0081621033,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Ru-Ta,4.0,AB2C_cF16_225_a_c_b:Fe-Ru-Ta +mp-867761,Sc2CoRu,-7.7394913375,-0.4775767012,0.0,-0.0207231125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Ru-Sc +mp-1205619,Nd2CdRh2,-5.631184407,-0.593624334,0.0,-0.0195076993,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Cd-Nd-Rh,10.0,AB2C2_tP10_127_a_h_g:Cd-Nd-Rh +mp-567916,Nd23Cd4Rh7,-5.2960593565,-0.4457915601,0.0,-0.0299023408,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Cd-Nd-Rh,68.0,"Invalid WP multiplicities - A4B23C7_hP68_186_ac_2a2b38c_2b8c:Cd-Nd-Rh, expected Nd59Cd2Rh13 to be Nd23Cd4Rh7" +mp-1216013,Yb4CrSe7,-4.953447865,-1.5965427872,0.1434430398,0.1434430398,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cr-Se-Yb,,AB7C4_mC24_8_a_7a_4a:Cr-Se-Yb +mp-978625,Sm2MgTl,-3.60763415,-0.2576102833,0.0045982029,0.0045982029,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Sm-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Sm-Tl +mp-11987,SmMgTl,-3.2434477589,-0.349611315,0.0,-0.0850041992,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Sm-Tl,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:Mg-Sm-Tl, expected Sm3Mg3Tl5 to be SmMgTl" +mp-1224900,GaAsRh4,-6.6057072017,-0.4149662171,0.0441406708,0.0441406708,GGA,Pmc2_1,ABC4_oP12_26_a_b_2a2b:As-Ga-Rh,12.0,ABC4_oP12_26_a_b_2a2b:As-Ga-Rh +mp-18561,Ga2AsRh5,-6.45809393,-0.515987705,0.0,-0.0033353013,GGA,Pbam,AB2C5_oP16_55_a_h_cgh:As-Ga-Rh,16.0,AB2C5_oP16_55_a_h_cgh:As-Ga-Rh +mp-1186298,NdCdHg2,-1.9877191525,-0.4131196719,0.0,-0.0452696075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Hg-Nd,4.0,AB2C_cF16_225_a_c_b:Cd-Hg-Nd +mp-973779,Nd2CdHg,-3.07903913,-0.3883228825,0.008660625,0.008660625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Hg-Nd,4.0,ABC2_cF16_225_a_b_c:Cd-Hg-Nd +mp-1227275,Be4AlCu,-3.8697316183,-0.0693259583,0.0102841492,0.0102841492,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Be-Cu,6.0,AB4C_cF24_216_a_e_c:Al-Be-Cu +mp-1097415,Zn2NiPt,-1.85604825,1.7366410550000002,2.1467681425,2.1467681425,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Ni-Pt-Zn +mp-1079793,PuAlCo,-8.6520546,-0.2781439483,0.12950707,0.12950707,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Co-Pu,9.0,ABC_hP9_189_f_bc_g:Al-Co-Pu +mp-866096,HfZnCo2,-6.69122325,-0.3328311925,0.0,-0.0382377476,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Zn +mp-1217296,Th2Si3Rh,-7.2962314483,-0.8849017050000001,0.0,-0.0596498817,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Rh-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Rh-Si-Th +mp-1070238,ThSi3Rh,-7.031733504,-0.820909462,0.0,-0.100874762,GGA,I4mm,AB3C_tI10_107_a_ab_a:Rh-Si-Th,5.0,AB3C_tI10_107_a_ab_a:Rh-Si-Th +mp-1217347,ThSiRh,-7.5807199217,-0.8462252050000001,0.1460733233,0.1300732833,GGA,Imma,ABC_oI12_74_e_e_e:Rh-Si-Th,,ABC_oI12_74_e_e_e:Rh-Si-Th +mp-1206329,ThSiRh,-7.726793245,-0.9922985283,0.0,-0.01600004,GGA,I4_1md,ABC_tI12_109_a_a_a:Rh-Si-Th,6.0,ABC_tI12_109_a_a_a:Rh-Si-Th +mp-4413,Th(SiRh)2,-7.695124896,-1.096502886,0.0,-0.1889705985,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-Th +mp-864922,MgZnAu2,-2.775634135,-0.42368722,0.0,-0.012273735,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Zn,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Zn +mp-1096321,Mg2ZnAu,-1.111324955,0.8222214725,1.2119870047,1.2119870047,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Au-Mg-Zn +mp-1224834,GaSiNi6,-5.7663672863,-0.3745880197,0.0,-0.0086987375,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ga-Ni-Si,8.0,AB6C_tP8_123_a_cdi_b:Ga-Ni-Si +mp-1225418,Ga(SiNi3)2,-5.8699147058,-0.47440891,0.0,-0.0055367667,GGA,Pm,AB6C2_mP36_6_4a_12a12b_2a6b:Ga-Ni-Si,36.0,AB6C2_mP36_6_4a_12a12b_2a6b:Ga-Ni-Si +mp-1224819,Ga3SiNi4,-5.1417499737,-0.4379808716,0.0144408997,0.0144408997,GGA,R3,A3B4C_hR24_146_b_ab_a:Ga-Ni-Si,8.0,A3B4C_hR24_146_b_ab_a:Ga-Ni-Si +mp-1094486,Mg5Ti,-2.53675041,0.1127316344,0.1298280805,0.1298280805,GGA,Cm,A5B_mC12_8_5a_a:Mg-Ti,6.0,A5B_mC12_8_5a_a:Mg-Ti +mp-1094366,Mg5Ti,-2.5510224067,0.0984596378,0.1155560838,0.1155560838,GGA,Amm2,A5B_oC12_38_2a3b_a:Mg-Ti,6.0,A5B_oC12_38_2a3b_a:Mg-Ti +mp-1094273,Mg5Ti,-2.490842545,0.1586394994,0.1757359455,0.1757359455,GGA,R32,A5B_hR18_155_cd_b:Mg-Ti,6.0,"Invalid WP multiplicities - A5B_hR18_155_2c2d_b:Mg-Ti, expected Mg10Ti to be Mg5Ti" +mp-1094265,Mg5Ti,-2.5646803367,0.0848017078,0.1018981538,0.1018981538,GGA,P-6m2,A5B_hP6_187_agh_d:Mg-Ti,6.0,"Invalid WP multiplicities - A5B_hP6_187_a2g2h_d:Mg-Ti, expected Mg9Ti to be Mg5Ti" +mp-1094498,Mg5Ti,-2.4844560233,0.1650260211,0.1821224672,0.1821224672,GGA,P-62m,A5B_hP6_189_cg_a:Mg-Ti,6.0,A5B_hP6_189_cg_a:Mg-Ti +mp-1016265,Mg7Ti,-2.2878849712,0.0992965746,0.1172478429,0.1172478429,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-Ti,8.0,A7B_hP8_187_ajk_d:Mg-Ti +mp-1078548,Mg7Ti,-2.3020491075,0.0851324383,0.1030837067,0.1030837067,GGA,Fm-3m,A7B_cF32_225_ad_b:Mg-Ti,8.0,A7B_cF32_225_ad_b:Mg-Ti +mp-1094349,MgTi,-4.5178601333,0.2300258999999999,0.2402837676,0.2402837676,GGA,C2,AB_mC12_5_ac_bc:Mg-Ti,6.0,AB_mC12_5_ac_bc:Mg-Ti +mp-1094348,MgTi,-4.628213545,0.1196724883,0.129930356,0.129930356,GGA,Cm,AB_mC12_8_3a_3a:Mg-Ti,6.0,AB_mC12_8_3a_3a:Mg-Ti +mp-1094509,MgTi,-4.6362942167,0.1115918167,0.1218496843,0.1218496843,GGA,Cm,AB_mC12_8_3a_3a:Mg-Ti,6.0,AB_mC12_8_3a_3a:Mg-Ti +mp-1094346,MgTi,-4.6372718525,0.1106141808,0.1208720485,0.1208720485,GGA,P2_1/m,AB_mP12_11_3e_3e:Mg-Ti,12.0,AB_mP12_11_5e_5e:Mg-Ti +mp-1094350,MgTi,-4.6005632,0.1473228333,0.157580701,0.157580701,GGA,P2_1/m,AB_mP12_11_3e_3e:Mg-Ti,12.0,AB_mP12_11_4e_4e:Mg-Ti +mp-1094501,MgTi,-4.58663792,0.1612481133,0.171505981,0.171505981,GGA,C2/m,AB_mC8_12_i_i:Mg-Ti,4.0,AB_mC8_12_i_i:Mg-Ti +mp-1094390,MgTi,-4.5736924225,0.1741936108,0.1844514785,0.1844514785,GGA,Pmm2,AB_oP8_25_abe_cdf:Mg-Ti,8.0,"Invalid WP multiplicities - AB_oP8_25_ab2e_cdf:Mg-Ti, expected Mg3Ti2 to be MgTi" +mp-1094347,MgTi,-4.5497911933,0.19809484,0.2083527076,0.2083527076,GGA,Pmc2_1,AB_oP12_26_2ab_a2b:Mg-Ti,12.0,AB_oP12_26_2a4b_4a2b:Mg-Ti +mp-1094400,MgTi,-4.5365579425,0.2113280908,0.2215859585,0.2215859585,GGA,Pmc2_1,AB_oP12_26_2ab_a2b:Mg-Ti,12.0,AB_oP12_26_2a4b_4a2b:Mg-Ti +mp-1094345,MgTi,-4.568558585,0.1793274483,0.189585316,0.189585316,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Ti,6.0,AB_oC12_38_2ab_a2b:Mg-Ti +mp-1094357,MgTi,-4.583888677,0.1639973563,0.174255224,0.174255224,GGA,Amm2,AB_oC20_38_ade_bde:Mg-Ti,10.0,"Invalid WP multiplicities - AB_oC20_38_a2d2e_b2de:Mg-Ti, expected Mg9Ti7 to be MgTi" +mp-1094367,MgTi,-4.580743052,0.1671429813,0.177400849,0.177400849,GGA,Amm2,AB_oC20_38_ade_bde:Mg-Ti,10.0,"Invalid WP multiplicities - AB_oC20_38_ad2e_b2d2e:Mg-Ti, expected Mg7Ti9 to be MgTi" +mp-1094385,MgTi,-4.6726798383,0.075206195,0.0854640626,0.0854640626,GGA,Amm2,AB_oC12_38_2ab_a2b:Mg-Ti,6.0,AB_oC12_38_2ab_a2b:Mg-Ti +mp-1094399,MgTi,-4.4952108517,0.2526751817,0.2629330493,0.2629330493,GGA,Amm2,AB_oC12_38_ae_bd:Mg-Ti,6.0,AB_oC12_38_ae_bd:Mg-Ti +mp-1094342,MgTi,-4.5929715925,0.1549144408,0.1651723085,0.1651723085,GGA,Pbcm,AB_oP8_57_d_d:Mg-Ti,8.0,AB_oP8_57_d_d:Mg-Ti +mp-1094364,MgTi,-4.5539335583,0.193952475,0.2042103426,0.2042103426,GGA,Pbcm,AB_oP24_57_3d_3d:Mg-Ti,24.0,AB_oP24_57_9d_9d:Mg-Ti +mp-1094417,MgTi,-4.6007199046,0.1471661288,0.1574239964,0.1574239964,GGA,Pbcm,AB_oP24_57_3d_3d:Mg-Ti,24.0,AB_oP24_57_9d_9d:Mg-Ti +mp-1094383,MgTi,-4.6831221387,0.0647638946,0.0750217622,0.0750217622,GGA,Pmmn,AB_oP8_59_ab_ab:Mg-Ti,8.0,AB_oP8_59_2ab_2ab:Mg-Ti +mp-1094388,MgTi,-4.598720835,0.1491651983,0.159423066,0.159423066,GGA,Pmmn,AB_oP16_59_2ae_2be:Mg-Ti,16.0,"Invalid WP multiplicities - AB_oP16_59_4a2e_4b3e:Mg-Ti, expected Mg4Ti5 to be MgTi" +mp-1094412,MgTi,-4.5571114138,0.1907746196,0.2010324872,0.2010324872,GGA,Pmmn,AB_oP16_59_abe_2e:Mg-Ti,16.0,AB_oP16_59_2a2b4e_6e:Mg-Ti +mp-1094416,MgTi,-4.5684310213,0.1794550121,0.1897128797,0.1897128797,GGA,Pmmn,AB_oP16_59_2e_abe:Mg-Ti,16.0,AB_oP16_59_6e_2a2b4e:Mg-Ti +mp-1094337,MgTi,-4.4957080875,0.2521779458,0.2624358135,0.2624358135,GGA,Pnma,AB_oP8_62_c_c:Mg-Ti,8.0,AB_oP8_62_c_c:Mg-Ti +mp-1094499,MgTi,-4.625290335,0.1225956983,0.132853566,0.132853566,GGA,P3m1,AB_hP6_156_2ab_a2b:Mg-Ti,6.0,AB_hP6_156_2ab_a2b:Mg-Ti +mp-1094341,MgTi,-4.5598160562,0.1880699771,0.1983278447,0.1983278447,GGA,P-6m2,AB_hP8_187_ak_dj:Mg-Ti,8.0,AB_hP8_187_ak_dj:Mg-Ti +mp-1094894,MgTi,-4.532742635,0.2151433983,0.225401266,0.225401266,GGA,P-6m2,AB_hP2_187_a_d:Mg-Ti,2.0,AB_hP2_187_a_d:Mg-Ti +mp-1094726,MgTi,-4.48651022,0.2613758133,0.271633681,0.271633681,GGA,Pm-3m,AB_cP2_221_a_b:Mg-Ti,2.0,AB_cP2_221_a_b:Mg-Ti +mp-1094365,Mg3Ti4,-4.99301186,0.204532171,0.2133246289,0.2133246289,GGA,P6_3/m,A3B4_hP14_176_h_ch:Mg-Ti,14.0,"Invalid WP multiplicities - A3B4_hP14_176_h_c2h:Mg-Ti, expected Mg3Ti7 to be Mg3Ti4" +mp-1094398,Mg3Ti4,-5.0760268986,0.1215171324,0.1303095903,0.1303095903,GGA,P6_3/m,A3B4_hP14_176_h_ch:Mg-Ti,14.0,"Invalid WP multiplicities - A3B4_hP14_176_h_2c2h:Mg-Ti, expected Mg3Ti8 to be Mg3Ti4" +mp-1016242,Mg3Ti,-2.9965388,0.1775442417,0.1929310431,0.1929310431,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-Ti,4.0,A3B_oP4_25_abc_d:Mg-Ti +mp-550714,PbO,-5.778854845,-1.4491869544,0.0205256745,-0.1824422975,GGA,Pca2_1,AB_oP8_29_a_a:O-Pb,8.0,AB_oP8_29_a_a:O-Pb +mp-20878,PbO,-5.7804178575,-1.4507499669,0.018962662,-0.18400531,GGA,Pbcm,AB_oP8_57_d_d:O-Pb,8.0,AB_oP8_57_d_d:O-Pb +mp-672237,PbO,-5.7993805195,-1.4697126289,0.0,-0.202967972,GGA,Pbcm,AB_oP64_57_4e_cd3e:O-Pb,64.0,"Invalid WP multiplicities - AB_oP64_57_23e_3c2d18e:O-Pb, expected Pb41O46 to be PbO" +mp-677074,PbO,-5.3912074425,-1.0615395519,0.408173077,0.205205105,GGA,P4_2/mmc,AB_tP4_131_c_e:O-Pb,4.0,AB_tP4_131_c_e:O-Pb +mp-22083,Tb7O12,-8.4432075726,-3.6115850866,0.0582049414,0.0582049414,GGA,R-3,A12B7_hR57_148_2f_af:O-Tb,19.0,A12B7_hR57_148_2f_af:O-Tb +mp-651870,Pb3O5,-5.8065469641,-1.3226238683,0.0422770256,0.0422770256,GGA,Cmce,A5B3_oC128_64_4f3g_ab3e2f:O-Pb,64.0,"Invalid WP multiplicities - A5B3_oC128_64_16f19g_2a2b11e6f:O-Pb, expected Pb19O54 to be Pb3O5" +mp-780625,Tb5O9,-8.3049185229,-3.4697736013,0.0876759156,0.0876759156,GGA,I-4,A9B5_tI28_82_a2g_cg:O-Tb,14.0,"Invalid WP multiplicities - A9B5_tI28_82_a4g_cg:O-Tb, expected Tb5O17 to be Tb5O9" +mp-1188454,PbO2,-5.1056827267,-0.5703412292,0.7301539983,0.6053244315,GGA,P-1,A2B_aP18_2_6i_3i:O-Pb,18.0,A2B_aP18_2_6i_3i:O-Pb +mp-1180019,PbO2,-5.3941706139,-0.8588291164,0.4416661111,0.3168365443,GGA,P2_1/m,A2B_mP18_11_2e2f_3e:O-Pb,18.0,A2B_mP18_11_2e2f_3e:O-Pb +mp-20633,PbO2,-5.8300679783,-1.2947264808,0.0057687467,-0.1190608201,GGA,Pbcn,A2B_oP12_60_d_c:O-Pb,12.0,A2B_oP12_60_d_c:O-Pb +mp-1101843,PbO2,-5.7792735642,-1.2439320667,0.0565631608,-0.068266406,GGA,Pnma,A2B_oP12_62_2c_c:O-Pb,12.0,A2B_oP12_62_2c_c:O-Pb +mp-1102359,PbO2,-5.7053045650000005,-1.1699630675,0.13053216,0.0057025932,GGA,Pnma,A2B_oP12_62_2c_c:O-Pb,12.0,A2B_oP12_62_2c_c:O-Pb +mp-20725,PbO2,-5.835836725,-1.3004952275,0.0,-0.1248295668,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Pb,6.0,A2B_tP6_136_f_a:O-Pb +mp-20158,PbO2,-5.7292039367,-1.1938624392,0.1066327883,-0.0181967785,GGA,Fm-3m,A2B_cF12_225_c_a:O-Pb,3.0,A2B_cF12_225_c_a:O-Pb +mp-1025387,TbO3,-6.9154507312,-2.0468426728,0.4433719891,0.4433719891,GGA,P6_3/m,A3B_hP8_176_h_c:O-Tb,8.0,A3B_hP8_176_h_c:O-Tb +mp-2457,Tb2O3,-8.765884984,-3.9441253172,0.0402181418,-0.3300420421,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Tb,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a5i_3i:O-Tb, expected Tb6O11 to be Tb2O3" +mp-1217673,Tb2O3,-8.561542166,-3.7397824992,0.2445609598,-0.1256992241,GGA,P-4m2,A3B2_tP5_115_abc_g:O-Tb,5.0,A3B2_tP5_115_abc_g:O-Tb +mp-13063,Tb2O3,-8.750158162,-3.9283984952,0.0559449638,-0.3143152201,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Tb,5.0,A3B2_hP5_164_ad_d:O-Tb +mp-1056,Tb2O3,-8.8061031258,-3.984343459,0.0,-0.3702601838,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Tb,40.0,A3B2_cI80_206_e_ad:O-Tb +mp-32927,Tb2O3,-8.325751382,-3.5039917152,0.4803517438,0.1100915599,GGA,Pn-3m,A3B2_cP10_224_d_b:O-Tb,10.0,A3B2_cP10_224_d_b:O-Tb +mp-684966,Tb8O13,-8.556524746400001,-3.7288160776,0.0657967405,0.0657967405,GGA,P1,A13B8_aP42_1_26a_16a:O-Tb,42.0,A13B8_aP42_1_26a_16a:O-Tb +mp-769210,Tb2Pb2O7,-7.1421935445,-2.4766619701,0.0756767809,0.0437642717,GGA,P4_12_12,A7B2C2_tP44_92_a3b_b_b:O-Pb-Tb,44.0,"Invalid WP multiplicities - A7B2C2_tP44_92_2a23b_b_b:O-Pb-Tb, expected TbPbO24 to be Tb2Pb2O7" +mp-769211,Tb2Pb2O7,-7.2178703255,-2.552338751,0.0,-0.0319125092,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pb-Tb,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pb-Tb, expected TbPbO10 to be Tb2Pb2O7" +mp-1100796,Pb7O16,-5.5278446196,-0.9567337991,0.2306748868,0.2306748868,GGA,C2,A16B7_mC46_5_8c_2ab2c:O-Pb,23.0,"Invalid WP multiplicities - A16B7_mC46_5_14c_2ab4c:O-Pb, expected Pb11O28 to be Pb7O16" +mp-22479,Zr4Pd2O,-8.3245314654,-1.253495058,0.0,-0.0240789552,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:O-Pd-Zr,28.0,"Invalid WP multiplicities - AB2C4_cF112_227_c_e_3d4f:O-Pd-Zr, expected Zr15Pd2O to be Zr4Pd2O" +mp-33088,ZrO,-9.22968599,-2.4824913194,0.424419921,0.424419921,GGA,F-43m,AB_cF8_216_a_c:O-Zr,2.0,AB_cF8_216_a_c:O-Zr +mp-10197,ZrO,-9.307735585,-2.5605409144,0.346370326,0.346370326,GGA,Fm-3m,AB_cF8_225_a_b:O-Zr,2.0,AB_cF8_225_a_b:O-Zr +mp-684657,Pd7O8,-5.7861551978,-0.7306430404,0.0474019872,0.0474019872,GGA,P2/m,A8B7_mP90_10_12o_il7m8n2o:O-Pd,90.0,"Invalid WP multiplicities - A8B7_mP90_10_43o_2i2j13m14n8o:O-Pd, expected Pd47O86 to be Pd7O8" +mp-1219936,Pd7O8,-5.7772778073,-0.72176565,0.0562793777,0.0562793777,GGA,Pm-3,A8B7_cP15_200_i_af:O-Pd,15.0,A8B7_cP15_200_i_af:O-Pd +mp-753629,Zr2O,-9.3386335539,-1.9912702301,0.0080862998,0.0080862998,GGA,P312,AB2_hP18_149_abcfh_2l:O-Zr,18.0,"Invalid WP multiplicities - AB2_hP18_149_abcfh_10l:O-Zr, expected Zr10O to be Zr2O" +mp-10735,Zr2O,-9.1194293367,-1.7720660129,0.227290517,0.227290517,GGA,Pn-3m,AB2_cP6_224_a_b:O-Zr,6.0,AB2_cP6_224_a_b:O-Zr +mp-1245318,ZrO2,-9.7388123304,-3.5917863129,0.2226796379,0.0021627562,GGA,P1,A2B_aP90_1_60a_30a:O-Zr,90.0,A2B_aP90_1_60a_30a:O-Zr +mp-755769,ZrO2,-9.9097540767,-3.7627280592,0.0517378917,-0.16877899,GGA,C2/m,A2B_mC24_12_4i_2i:O-Zr,12.0,"Invalid WP multiplicities - A2B_mC24_12_7i_3i:O-Zr, expected Zr3O7 to be ZrO2" +mp-775935,ZrO2,-9.8746874389,-3.7276614214,0.0868045294,-0.1337123522,GGA,C2/m,A2B_mC18_12_ij_ah:O-Zr,9.0,"Invalid WP multiplicities - A2B_mC18_12_2ij_ah:O-Zr, expected Zr3O8 to be ZrO2" +mp-2858,ZrO2,-9.9614919683,-3.8144659508,0.0,-0.2205168817,GGA,P2_1/c,A2B_mP12_14_2e_e:O-Zr,12.0,"Invalid WP multiplicities - A2B_mP12_14_3e_e:O-Zr, expected ZrO3 to be ZrO2" +mp-1100824,ZrO2,-9.3557497622,-3.2087237447,0.6057422061000001,0.3852253244,GGA,Pmm2,A2B_oP72_25_22a26d_11b13c:O-Zr,72.0,A2B_oP72_25_22a26d_11b13c:O-Zr +mp-556605,ZrO2,-9.9399658725,-3.792939855,0.0215260958,-0.1989907858,GGA,Pca2_1,A2B_oP12_29_2a_a:O-Zr,12.0,"Invalid WP multiplicities - A2B_oP12_29_7a_a:O-Zr, expected ZrO7 to be ZrO2" +mp-775980,ZrO2,-9.9105780189,-3.7635520014,0.0509139494,-0.1696029322,GGA,Pbcn,A2B_oP36_60_3d_cd:O-Zr,36.0,"Invalid WP multiplicities - A2B_oP36_60_9d_4c4d:O-Zr, expected Zr2O3 to be ZrO2" +mp-776404,ZrO2,-9.9526626604,-3.8056366429,0.0088293079,-0.2116875738,GGA,Pbca,A2B_oP24_61_2c_c:O-Zr,24.0,"Invalid WP multiplicities - A2B_oP24_61_5c_c:O-Zr, expected ZrO5 to be ZrO2" +mp-776427,ZrO2,-9.9209915954,-3.7739655779,0.0405003729,-0.1800165088,GGA,Pbca,A2B_oP24_61_2c_c:O-Zr,24.0,"Invalid WP multiplicities - A2B_oP24_61_5c_c:O-Zr, expected ZrO5 to be ZrO2" +mp-1190186,ZrO2,-9.9420714967,-3.7950454792,0.0194204717,-0.20109641,GGA,Pbca,A2B_oP24_61_2c_c:O-Zr,24.0,A2B_oP24_61_2c_c:O-Zr +mp-754741,ZrO2,-9.8772732425,-3.730247225,0.0842187258,-0.1362981558,GGA,Pnma,A2B_oP12_62_d_c:O-Zr,12.0,A2B_oP12_62_d_c:O-Zr +mp-755759,ZrO2,-9.9267196433,-3.7796936258,0.034772325,-0.1857445567,GGA,Pnma,A2B_oP12_62_2c_c:O-Zr,12.0,"Invalid WP multiplicities - A2B_oP12_62_3c_c:O-Zr, expected ZrO3 to be ZrO2" +mp-755089,ZrO2,-9.9390731475,-3.79204713,0.0224188208,-0.1980980608,GGA,Pnma,A2B_oP12_62_2c_c:O-Zr,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:O-Zr, expected ZrO5 to be ZrO2" +mp-963,ZrO2,-9.8584224425,-3.711396425,0.1030695258,-0.1174473558,GGA,Pnma,A2B_oP12_62_2c_c:O-Zr,12.0,A2B_oP12_62_2c_c:O-Zr +mp-776386,ZrO2,-9.8732022925,-3.726176275,0.0882896758,-0.1322272058,GGA,Pnma,A2B_oP24_62_4c_2c:O-Zr,24.0,"Invalid WP multiplicities - A2B_oP24_62_13c_5c:O-Zr, expected Zr5O13 to be ZrO2" +mp-775910,ZrO2,-9.90637209,-3.7593460725,0.0551198783,-0.1653970033,GGA,P4/n,A2B_tP30_85_ab2g_cg:O-Zr,30.0,"Invalid WP multiplicities - A2B_tP30_85_2a2b15g_2c3g:O-Zr, expected Zr7O32 to be ZrO2" +mp-775909,ZrO2,-9.9110472667,-3.7640212492,0.0504447017,-0.17007218,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Zr,6.0,A2B_tP6_136_f_a:O-Zr +mp-2574,ZrO2,-9.9252521717,-3.7782261542,0.0362397967,-0.184277085,GGA,P4_2/nmc,A2B_tP6_137_d_a:O-Zr,6.0,A2B_tP6_137_d_a:O-Zr +mp-754403,ZrO2,-9.9465997033,-3.7995736858,0.014892265,-0.2056246167,GGA,I4_1/amd,A2B_tI12_141_e_a:O-Zr,6.0,A2B_tI12_141_e_a:O-Zr +mp-1565,ZrO2,-9.89258521,-3.7455591925,0.0689067583,-0.1516101233,GGA,Fm-3m,A2B_cF12_225_c_a:O-Zr,3.0,A2B_cF12_225_c_a:O-Zr +mp-684977,Zr27O49,-9.8049659124,-3.5789703352,0.1160805221,0.1160805221,GGA,P3m1,A49B27_hP76_156_15a16b18c_9a9b9c:O-Zr,76.0,A49B27_hP76_156_15a16b18c_9a9b9c:O-Zr +mp-685070,Zr19O40,-9.6830452085,-3.5767085912,0.1084534291,0.1084534291,GGA,P1,A40B19_aP59_1_40a_19a:O-Zr,59.0,A40B19_aP59_1_40a_19a:O-Zr +mp-1215377,Zr4O,-9.068482004,-1.2409837578,0.0,-0.004520418,GGA,R-3,AB4_hR45_148_ac_2f:O-Zr,15.0,"Invalid WP multiplicities - AB4_hR45_148_ac_12f:O-Zr, expected Zr24O to be Zr4O" +mp-1018886,PdO2,-5.7527946750000005,-0.7283749308,0.0,-0.2013998962,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Pd,6.0,A2B_tP6_136_f_a:O-Pd +mp-752735,PdO2,-5.5223096533,-0.4978899092,0.2304850217,0.0290851254,GGA,Fm-3m,A2B_cF12_225_c_a:O-Pd,3.0,A2B_cF12_225_c_a:O-Pd +mp-561418,Zr3O,-9.193026825,-1.5455791747,0.0,-0.0232379898,GGA,R32,AB3_hR48_155_2c_def:O-Zr,16.0,"Invalid WP multiplicities - AB3_hR48_155_4c_2d2e4f:O-Zr, expected Zr9O2 to be Zr3O" +mp-14024,Zr3O,-9.1926117625,-1.5451641122000002,0.0004150625,-0.0228229273,GGA,R-3c,AB3_hR24_167_b_e:O-Zr,8.0,AB3_hR24_167_b_e:O-Zr +mp-1017,Zr3O,-9.1888533925,-1.5414057422,0.0041734325,-0.0190645573,GGA,P6_322,AB3_hP8_182_c_g:O-Zr,8.0,AB3_hP8_182_c_g:O-Zr +mp-10729,Pd2O,-5.490456485,-0.3883057079,0.1386693267,0.1386693267,GGA,Pn-3m,AB2_cP6_224_a_b:O-Pd,6.0,AB2_cP6_224_a_b:O-Pd +mp-1336,PdO,-5.8537478125,-0.7904625519,0.0,-0.1054847015,GGA,P4_2/mmc,AB_tP4_131_e_c:O-Pd,4.0,AB_tP4_131_e_c:O-Pd +mp-603251,PdO,-5.034627015,0.0286582456,0.8191207975,0.713636096,GGA,Pm-3m,AB_cP2_221_a_b:O-Pd,2.0,AB_cP2_221_a_b:O-Pd +mp-10728,PdO,-5.40446282,-0.3411775594,0.4492849925,0.343800291,GGA,Fm-3m,AB_cF8_225_a_b:O-Pd,2.0,AB_cF8_225_a_b:O-Pd +mp-761151,Zr6O11,-9.8415004635,-3.6238663692,0.0838284392,0.0838284392,GGA,Pmm2,A11B6_oP17_25_5a6d_3b3c:O-Zr,17.0,A11B6_oP17_25_5a6d_3b3c:O-Zr +mp-20318,Mn2B,-8.7313952117,-0.3969210933,0.0,-0.0632970351,GGA,I4/mcm,AB2_tI12_140_a_h:B-Mn,6.0,AB2_tI12_140_a_h:B-Mn +mp-1191670,TbMnB4,-7.3941687596,-0.6418440137,0.0,-0.0761212981,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Tb +mp-8365,MnB,-8.4211396188,-0.5004360873,0.0,-0.0962038752,GGA,Pnma,AB_oP8_62_c_c:B-Mn,8.0,AB_oP8_62_c_c:B-Mn +mp-616575,MnB,-7.9214049737,-0.0007014423,0.499734645,0.4035307698,GGA,P4_2/ncm,AB_tP16_138_i_i:B-Mn,16.0,AB_tP16_138_i_i:B-Mn +mp-1221769,Mn4B,-8.800579197,-0.1350886092,0.1030640468,0.1030640468,GGA,F222,AB4_oF40_22_e_efij:B-Mn,10.0,"Invalid WP multiplicities - AB4_oF40_22_e_e2f2ij:B-Mn, expected Mn6B to be Mn4B" +mp-1106184,MnB4,-7.465500555,-0.2895840799,0.0,-0.089409645,GGA,P2_1/c,A4B_mP20_14_4e_e:B-Mn,20.0,A4B_mP20_14_4e_e:B-Mn +mp-1078253,MnB4,-7.457861693,-0.2819452179,0.007638862,-0.081770783,GGA,Pnnm,A4B_oP10_58_2g_a:B-Mn,10.0,A4B_oP10_58_2g_a:B-Mn +mp-1010,MnB4,-7.447930429999999,-0.2720139549,0.017570125,-0.07183952,GGA,Immm,A4B_oI10_71_l_a:B-Mn,5.0,A4B_oI10_71_l_a:B-Mn +mp-1190660,Tb3MnB7,-6.9264937423,-0.5791431979,0.0,-0.0134371425,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Mn-Tb,22.0,A7BC3_oC44_63_c3f_c_cf:B-Mn-Tb +mp-10118,Mn3B4,-8.1507388286,-0.4073655486,0.0428676798,0.0428676798,GGA,Immm,A4B3_oI14_71_ef_af:B-Mn,7.0,A4B3_oI14_71_ef_af:B-Mn +mp-585,MnB2,-7.7975011833,-0.2905682388,0.0927278444,0.0927278444,GGA,P6/mmm,A2B_hP3_191_c_b:B-Mn,3.0,A2B_hP3_191_c_b:B-Mn +mp-1102298,Eu3B2Pt7,-8.058163945,-0.8391870965,0.0,-0.0368807898,GGA,R-3m,A2B3C7_hR36_166_c_ac_bh:B-Eu-Pt,12.0,A2B3C7_hR36_166_c_ac_bh:B-Eu-Pt +mp-1096955,EuB12,-7.1086216631,-0.1540291208,0.1024923012,0.1024923012,GGA,Fm-3m,A12B_cF52_225_h_b:B-Eu,13.0,A12B_cF52_225_h_b:B-Eu +mp-20874,EuB6,-7.6668758443,-0.4763969264,0.0,-0.3333698857,GGA,Pm-3m,A6B_cP7_221_e_b:B-Eu,7.0,A6B_cP7_221_e_b:B-Eu +mp-1103637,EuBPt4,-7.5534696492,-0.6833151740000001,0.0,-0.0945950931,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Eu-Pt,12.0,ABC4_hP12_191_c_ab_di:B-Eu-Pt +mp-1147771,Al(CuN)3,-5.9195566957,-0.0548880364,0.3977968221,0.3977968221,GGA,Pm-3m,AB3C3_cP7_221_a_c_d:Al-Cu-N,7.0,AB3C3_cP7_221_a_c_d:Al-Cu-N +mp-979427,YHoZn2,-3.74999469,-0.3579028892,0.00077103,0.00077103,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ho-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Ho-Y-Zn +mp-971833,Tm3V,-5.33011259,0.297740495,0.297740495,0.297740495,GGA,I4/mmm,A3B_tI8_139_ad_b:Tm-V,4.0,A3B_tI8_139_ad_b:Tm-V +mp-1208160,Tm6Al43V4,-4.535037308,-0.3038977324,0.0,-0.0293107542,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tm-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tm-V +mp-974925,NdY3,-6.01900322,0.0228869731,0.0228869731,0.0228869731,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Y,4.0,AB3_tI8_139_a_bd:Nd-Y +mp-1186340,NdY3,-6.028532355,0.0133578381,0.0133578381,0.0133578381,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Y,8.0,AB3_hP8_194_c_h:Nd-Y +mp-974865,NdY3,-6.0217166175,0.0201735756,0.0201735756,0.0201735756,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Y,4.0,AB3_cP4_221_a_c:Nd-Y +mp-1186336,NdYZn2,-3.77432542,-0.3357989785,0.00495772,0.00495772,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Nd-Y-Zn +mp-1220274,Nd2Y,-5.31341286,0.0208424661,0.0208424661,0.0208424661,GGA,R-3m,A2B_hR9_166_c_a:Nd-Y,3.0,A2B_hR9_166_c_a:Nd-Y +mp-1220208,Nd3Y,-5.19191272,0.0008156327,0.0008156327,0.0008156327,GGA,P-6m2,A3B_hP4_187_ai_d:Nd-Y,4.0,A3B_hP4_187_ai_d:Nd-Y +mp-1186291,Nd3Y,-5.1679818962,0.0247464565,0.0247464565,0.0247464565,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Y,8.0,A3B_hP8_194_h_c:Nd-Y +mp-1017982,TlN,-4.6161236825,0.7334453533,0.7334453533,0.7334453533,GGA,P6_3mc,AB_hP4_186_b_b:N-Tl,4.0,AB_hP4_186_b_b:N-Tl +mp-1007778,TlN,-4.61583022,0.7337388158,0.7337388158,0.7337388158,GGA,F-43m,AB_cF8_216_a_c:N-Tl,2.0,AB_cF8_216_a_c:N-Tl +mp-1206907,TlN,-3.737984615,1.6115844208,1.6115844208,1.6115844208,GGA,Pm-3m,AB_cP2_221_a_b:N-Tl,2.0,AB_cP2_221_a_b:N-Tl +mp-1002222,TlN,-4.3783825,0.9711865358,0.9711865358,0.9711865358,GGA,Fm-3m,AB_cF8_225_a_b:N-Tl,2.0,AB_cF8_225_a_b:N-Tl +mp-9964,Ti3TlN,-7.703339598,-0.8262167737,0.0364450067,0.0364450067,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Ti-Tl,5.0,AB3C_cP5_221_b_c_a:N-Ti-Tl +mp-870,TlN3,-6.7847810837,0.0582508967,0.0582508967,0.0582508967,GGA,I4/mcm,A3B_tI16_140_dh_a:N-Tl,8.0,"Invalid WP multiplicities - A3B_tI16_140_d2h_a:N-Tl, expected TlN5 to be TlN3" +mp-10627,SrS,-5.008407895,-2.0954362349,0.299629805,-0.8080375292,GGA,Pm-3m,AB_cP2_221_a_b:S-Sr,2.0,AB_cP2_221_a_b:S-Sr +mp-1087,SrS,-5.3080377,-2.3950660399,0.0,-1.1076673342,GGA,Fm-3m,AB_cF8_225_a_b:S-Sr,2.0,AB_cF8_225_a_b:S-Sr +mp-1175,SrS3,-4.9179728738,-1.3932621103,0.0,-0.1058634045,GGA,Aea2,A3B_oC16_41_ab_a:S-Sr,8.0,A3B_oC16_41_ab_a:S-Sr +mp-1950,SrS2,-5.0373293367,-1.7165316076,0.0106651458,0.0106651458,GGA,I4/mcm,A2B_tI12_140_h_a:S-Sr,6.0,A2B_tI12_140_h_a:S-Sr +mp-8736,Sr(Mo3S4)2,-7.8176326967,-1.1606331601,0.0,-0.0002021723,GGA,P-1,A6B8C_aP15_2_3i_4i_a:Mo-S-Sr,15.0,"Invalid WP multiplicities - A6B8C_aP15_2_4i_4i_a:Mo-S-Sr, expected Sr(MoS)8 to be Sr(Mo3S4)2" +mp-1179707,Sr(Mo3S4)2,-6.949916648,-0.2929171114,0.8677160487000001,0.8675138763,GGA,P-1,A6B8C_aP15_2_3i_4i_a:Mo-S-Sr,15.0,"Invalid WP multiplicities - A6B8C_aP15_2_6i_7i_a:Mo-S-Sr, expected Sr(Mo6S7)2 to be Sr(Mo3S4)2" +mp-3043,Sr(Mo3S4)2,-7.8175113913,-1.1605118548,0.0001213053,-8.086700000000001e-05,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Sr,15.0,"Invalid WP multiplicities - A6B8C_hR45_148_f_2c2f_a:Mo-S-Sr, expected Sr(Mo3S8)2 to be Sr(Mo3S4)2" +mp-2038,Sm3S4,-6.6841150871,-2.2981782482,0.0425560575,0.0425560575,GGA,I-43d,A4B3_cI28_220_c_a:S-Sm,14.0,A4B3_cI28_220_c_a:S-Sm +mp-673636,Sm3S4,-6.30968852,-1.9237516811,0.4169826246,0.4169826246,GGA,I-43d,A4B3_cI28_220_c_a:S-Sm,14.0,A4B3_cI28_220_c_a:S-Sm +mp-684860,Sm39S56,-6.7085792869,-2.3331471626,0.0243643852,0.0243643852,GGA,P1,A56B39_aP95_1_56a_39a:S-Sm,95.0,A56B39_aP95_1_56a_39a:S-Sm +mp-1403,Sm2S3,-6.7366026465,-2.3672982724,0.0,-0.0669107756,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Sm,20.0,A3B2_oP20_62_3c_2c:S-Sm +mp-32645,Sm2S3,-6.7210076918,-2.3517033176,0.0155949548,-0.0513158208,GGA,I-42d,A3B2_tI80_122_3e_cde:S-Sm,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d4e:S-Sm, expected SmS2 to be Sm2S3" +mp-10534,Sm10S19,-6.4658681733,-2.1286816622,0.0,-0.0060187777,GGA,P4_2/n,A19B10_tP58_86_ae4g_e2g:S-Sm,58.0,"Invalid WP multiplicities - A19B10_tP58_86_a2e4g_e2g:S-Sm, expected Sm10S21 to be Sm10S19" +mp-1201126,Sm4(LuS2)11,-6.6466252554,-2.3329307329,0.0157638686,0.0157638686,GGA,C2/m,A11B22C4_mC74_12_a5i_11i_2i:Lu-S-Sm,37.0,A11B22C4_mC74_12_a5i_11i_2i:Lu-S-Sm +mp-1879,SmS,-6.470435645,-2.0429176441,0.231406745,-0.0320116769,GGA,I4/mmm,AB_tI8_139_e_e:S-Sm,4.0,AB_tI8_139_e_e:S-Sm +mp-1269,SmS,-6.70184239,-2.2743243891,0.0,-0.2634184219,GGA,Fm-3m,AB_cF8_225_a_b:S-Sm,2.0,AB_cF8_225_a_b:S-Sm +mp-1232280,SmS2,-6.4021924683,-2.0716971788,0.0,-0.0139715719,GGA,P2_1/c,A2B_mP12_14_2e_e:S-Sm,12.0,A2B_mP12_14_2e_e:S-Sm +mp-1232273,SmS2,-6.332829405,-2.0023341154,0.0693630633,0.0553914914,GGA,P4/nmm,A2B_tP6_129_ac_c:S-Sm,6.0,A2B_tP6_129_ac_c:S-Sm +mp-1232269,SmS2,-4.8209127133,-0.4904174238,1.5812797550000002,1.5673081831,GGA,Fd-3m,A2B_cF24_227_c_b:S-Sm,6.0,A2B_cF24_227_c_b:S-Sm +mp-2495,PrS,-6.72582648,-2.2671486691,0.0,-0.2553693513,GGA,Fm-3m,AB_cF8_225_a_b:Pr-S,2.0,AB_cF8_225_a_b:Pr-S +mp-561375,Pr10S19,-6.4839069869,-2.1252309517,0.0,-0.0038084016,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Pr-S,58.0,"Invalid WP multiplicities - A10B19_tP58_86_3e11g_2a4e31g:Pr-S, expected Pr25S67 to be Pr10S19" +mp-985829,HfS2,-7.98905203,-1.9123557754,0.0,-0.277264515,GGA,P-3m1,AB2_hP3_164_a_d:Hf-S,3.0,AB2_hP3_164_a_d:Hf-S +mp-555096,PrS2,-6.42387968,-2.0726111837,0.0,-0.0182212638,GGA,P2_1/c,AB2_mP12_14_e_2e:Pr-S,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_4e:Pr-S, expected PrS4 to be PrS2" +mp-17329,PrS2,-6.4216494138,-2.0703809175,0.0022302662,-0.0159909975,GGA,Pnma,AB2_oP24_62_d_2cd:Pr-S,24.0,AB2_oP24_62_d_2cd:Pr-S +mp-12117,PrS2,-4.9241233567,-0.5728548604,1.4997563233,1.4815350596,GGA,Fd-3m,AB2_cF24_227_a_d:Pr-S,6.0,AB2_cF24_227_a_d:Pr-S +mp-1220037,Pr5S9,-6.4698750343,-2.1032623502,0.0734164044,0.0734164044,GGA,C2,A5B9_mC56_5_5c_2a8c:Pr-S,28.0,"Invalid WP multiplicities - A5B9_mC56_5_10c_2a14c:Pr-S, expected Pr2S3 to be Pr5S9" +mp-1449,Pr3S4,-6.7118216107,-2.2991763632,0.0312354771,0.0312354771,GGA,I-43d,A3B4_cI28_220_a_c:Pr-S,14.0,A3B4_cI28_220_a_c:Pr-S +mp-1219856,Pr5S8,-6.4431036615,-2.0587861454,0.232660785,0.232660785,GGA,F-43m,A5B8_cF52_216_ae_2e:Pr-S,13.0,A5B8_cF52_216_ae_2e:Pr-S +mp-1206743,HfS,-8.805097285,-1.7582778366,0.0,-0.2041561758,GGA,P-6m2,AB_hP2_187_a_d:Hf-S,2.0,AB_hP2_187_a_d:Hf-S +mp-15179,Pr2S3,-6.749949331,-2.3557171089,0.0,-0.1158868272,GGA,Pnma,A2B3_oP20_62_2c_3c:Pr-S,20.0,A2B3_oP20_62_2c_3c:Pr-S +mp-32692,Pr2S3,-6.7342150178,-2.3399827956,0.0157343133,-0.100152514,GGA,I-42d,A2B3_tI80_122_cde_3e:Pr-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c3d4e_16e:Pr-S, expected Pr15S32 to be Pr2S3" +mp-1203224,Pr2HfS5,-7.231802095,-2.2066458607,0.0,-0.0171892519,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Hf-Pr-S,32.0,AB2C5_oP32_62_c_d_3cd:Hf-Pr-S +mp-9922,HfS3,-7.16513263,-1.5734979723,0.0,-0.1392311408,GGA,P2_1/m,AB3_mP8_11_e_3e:Hf-S,8.0,AB3_mP8_11_e_3e:Hf-S +mp-10000,Hf2S,-9.2128301883,-1.195887546,0.0,-0.0237023217,GGA,P6_3/mmc,A2B_hP6_194_f_b:Hf-S,6.0,A2B_hP6_194_f_b:Hf-S +mp-975653,PrS3,-5.4898895638,-1.1923257248,0.362132663,0.362132663,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pr-S,8.0,AB3_hP8_194_c_h:Pr-S +mp-975439,Mn3S,-7.88097848,0.0246454558,0.4257960023,0.4257960023,GGA,Pm-3m,A3B_cP4_221_c_a:Mn-S,4.0,A3B_cP4_221_c_a:Mn-S +mp-974355,Mn2S3,-6.990842874,-0.8441668370000001,0.010465911,0.010465911,GGA,R-3c,A2B3_hR30_167_c_e:Mn-S,10.0,A2B3_hR30_167_c_e:Mn-S +mp-1095335,MnS2,-6.3994563483,-0.5878180064,0.3017025117,0.1156543578,GGA,P2_1/c,AB2_mP12_14_e_2e:Mn-S,12.0,AB2_mP12_14_e_2e:Mn-S +mp-1018804,MnS2,-6.6680157117,-0.8563773697,0.0331431483,-0.1529050055,GGA,Pnnm,AB2_oP6_58_a_g:Mn-S,6.0,AB2_oP6_58_a_g:Mn-S +mp-1397283,MnS2,-6.392665325,-0.5810269831,0.308493535,0.1224453811,GGA,I-42d,AB2_tI12_122_a_d:Mn-S,6.0,AB2_tI12_122_a_d:Mn-S +mp-1422029,MnS2,-6.70115886,-0.8895205181,0.0,-0.1860481539,GGA,R-3m,AB2_hR9_166_a_c:Mn-S,3.0,AB2_hR9_166_a_c:Mn-S +mp-1455,MnS2,-6.5905248058,-0.7788864639,0.1106340542,-0.0754140997,GGA,Pa-3,AB2_cP12_205_a_c:Mn-S,12.0,AB2_cP12_205_a_c:Mn-S +mp-1386044,MnS2,-6.6895975267,-0.8779591847,0.0115613333,-0.1744868205,GGA,Fd-3m,AB2_cF48_227_c_e:Mn-S,12.0,AB2_cF48_227_c_e:Mn-S +mp-2562,MnS,-7.369959225,-0.7207266455,0.0815744475,-0.0172542813,GGA,P6_3mc,AB_hP4_186_b_b:Mn-S,4.0,AB_hP4_186_b_b:Mn-S +mp-1783,MnS,-7.372573265,-0.7233406855000001,0.0789604075,-0.0198683213,GGA,F-43m,AB_cF8_216_a_c:Mn-S,2.0,AB_cF8_216_a_c:Mn-S +mp-556853,MnS,-6.950084655,-0.3008520755,0.5014490175,0.4026202887,GGA,Pm-3m,AB_cP2_221_a_b:Mn-S,2.0,AB_cP2_221_a_b:Mn-S +mp-2065,MnS,-7.4515336725,-0.8023010930000001,0.0,-0.0988287288,GGA,Fm-3m,AB_cF8_225_a_b:Mn-S,4.0,AB_cF8_225_a_b:Mn-S +mp-1217708,Tb2MnS4,-6.8912771,-1.8946275343,0.0316832239,0.0316832239,GGA,Cmc2_1,AB4C2_oC28_36_a_4a_2a:Mn-S-Tb,14.0,AB4C2_oC28_36_a_4a_2a:Mn-S-Tb +mp-17210,Nb2V4Si5,-7.9776872073,-0.37179407,0.1924666146,0.1924666146,GGA,Ibam,A2B5C4_oI44_72_f_a2j_2j:Nb-Si-V,22.0,"Invalid WP multiplicities - A2B5C4_oI44_72_f_a3j_3j:Nb-Si-V, expected Nb2V6Si7 to be Nb2V4Si5" +mp-1220570,Nb3V3Si2,-8.8896142725,-0.3388305988,0.1013043321,0.1013043321,GGA,R32,A3B2C3_hR24_155_d_c_e:Nb-Si-V,8.0,A3B2C3_hR24_155_d_c_e:Nb-Si-V +mp-1191280,Nb4V2Si5,-8.3953715291,-0.6044967609,0.0,-0.0208767829,GGA,Ibam,A4B5C2_oI44_72_2j_a2j_f:Nb-Si-V,22.0,A4B5C2_oI44_72_2j_a2j_f:Nb-Si-V +mp-1220775,Nb2(VSi)3,-8.3030311019,-0.3367458044,0.2583497063,0.2583497063,GGA,P6_3/mcm,A2B3C3_hP16_193_d_g_g:Nb-Si-V,16.0,A2B3C3_hP16_193_d_g_g:Nb-Si-V +mp-1220536,Nb5V5Si6,-8.4034092725,-0.3735365394,0.2311419537,0.2311419537,GGA,Amm2,A5B6C5_oC32_38_af_abde_bde:Nb-Si-V,16.0,A5B6C5_oC32_38_af_abde_bde:Nb-Si-V +mp-1220334,NbV,-9.50179946,0.090806095,0.090806095,0.090806095,GGA,Cmmm,AB_oC4_65_a_c:Nb-V,2.0,AB_oC4_65_a_c:Nb-V +mp-1220478,NbVSi,-8.5896709383,-0.386161225,0.1845262658,0.1845262658,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Nb-Si-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Nb-Si-V, expected Nb3(VSi)2 to be NbVSi" +mp-1220458,NbVSi4,-7.2575057028,-0.4430918311,0.0262231689,0.0262231689,GGA,P2,AB4C_mP18_3_2ac_6e_2bc:Nb-Si-V,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2c_12e_a2b:Nb-Si-V, expected NbVSi8 to be NbVSi4" +mp-1018635,ScPd3C,-6.405410242,-0.1852542365,0.4992127085,0.4992127085,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pd-Sc,5.0,AB3C_cP5_221_b_c_a:C-Pd-Sc +mp-15123,Th(AlC)4,-6.7894770844,-0.19938558,0.0,-0.003009161,GGA,I4/m,A4B4C_tI18_87_h_h_a:Al-C-Th,9.0,A4B4C_tI18_87_h_h_a:Al-C-Th +mp-1217395,Th4C3,-8.45792845,-0.2662956675,0.0,-0.0151526404,GGA,R-3m,A3B4_hR21_166_ac_2c:C-Th,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:C-Th, expected Th4C5 to be Th4C3" +mp-7224,ThC2,-8.8754047167,-0.2516749717,0.0,-0.0321423767,GGA,C2/c,A2B_mC12_15_f_e:C-Th,6.0,A2B_mC12_15_f_e:C-Th +mp-570108,ThC2,-8.5525284783,0.0712012667,0.3228762383,0.2907338617,GGA,P4_2/mmc,A2B_tP6_131_j_c:C-Th,6.0,A2B_tP6_131_j_c:C-Th +mp-10720,ThC2,-8.486127385,0.13760236,0.3892773317,0.357134955,GGA,Pa-3,A2B_cP12_205_c_a:C-Th,12.0,A2B_cP12_205_c_a:C-Th +mp-569564,Th2Al2C3,-7.4831285243,-0.3395764332,0.0,-0.0395681011,GGA,Pnnm,A2B3C2_oP14_58_g_ag_g:Al-C-Th,14.0,"Invalid WP multiplicities - A2B3C2_oP14_58_g_2a2g_g:Al-C-Th, expected ThAlC3 to be Th2Al2C3" +mp-1217379,Th5C4,-8.4800113356,-0.2595720889,0.0087467111,0.0087467111,GGA,R-3m,A4B5_hR27_166_2c_a2c:C-Th,9.0,"Invalid WP multiplicities - A4B5_hR27_166_3c_a2c:C-Th, expected Th5C6 to be Th5C4" +mp-1217298,Th5C,-7.8283896317,-0.1120635079,0.0,-0.0085040817,GGA,R-3m,AB5_hR18_166_a_b2c:C-Th,6.0,"Invalid WP multiplicities - AB5_hR18_166_a_b3c:C-Th, expected Th7C to be Th5C" +mp-998901,ThC,-7.952429375,0.3688324962,0.64423226,0.6339379331,GGA,Pm-3m,AB_cP2_221_a_b:C-Th,2.0,AB_cP2_221_a_b:C-Th +mp-1164,ThC,-8.596661635,-0.2753997638,0.0,-0.0102943269,GGA,Fm-3m,AB_cF8_225_a_b:C-Th,2.0,AB_cF8_225_a_b:C-Th +mp-1188514,Th2C3,-8.7661817095,-0.263439114,0.0,-0.0022742255,GGA,I-43d,A3B2_cI40_220_d_c:C-Th,20.0,A3B2_cI40_220_d_c:C-Th +mp-2540,VTc,-10.09467696,-0.3724044525,0.0,-0.3724044525,GGA,Pm-3m,AB_cP2_221_a_b:Tc-V,2.0,AB_cP2_221_a_b:Tc-V +mp-865499,V2TcOs,-10.2870611775,-0.3481065487,0.0,-0.041841784,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Tc-V,4.0,ABC2_cF16_225_a_b_c:Os-Tc-V +mp-1093577,BeVIr2,-4.8136750525,2.8113717713,3.3162780417,3.3162780417,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Ir-V,4.0,AB2C_oI8_71_a_e_b:Be-Ir-V +mp-34580,Er3Pb4F17,-6.131589024,-3.5878853924,0.0,-0.0108553435,GGA,P1,A3B17C4_aP48_1_6a_34a_8a:Er-F-Pb,48.0,A3B17C4_aP48_1_6a_34a_8a:Er-F-Pb +mp-20652,PbF3,-4.8063844894,-2.4446134962,0.0,-0.0642901969,GGA,P4_2/mcm,A3B_tP16_132_io_ad:F-Pb,16.0,"Invalid WP multiplicities - A3B_tP16_132_i2o_ad:F-Pb, expected PbF5 to be PbF3" +mp-1173571,Pb5F8,-4.8998012873,-2.2955653573,0.1805035735,0.1805035735,GGA,Cm,A8B5_mC52_8_16a_10a:F-Pb,26.0,A8B5_mC52_8_16a_10a:F-Pb +mp-685150,PbF2,-5.19131768,-2.679449345,0.0029586633,-0.3271037443,GGA,Aea2,A2B_oC12_41_b_a:F-Pb,6.0,A2B_oC12_41_b_a:F-Pb +mp-315,PbF2,-5.1942763433,-2.6824080083,0.0,-0.3300624076,GGA,Fm-3m,A2B_cF12_225_c_a:F-Pb,3.0,A2B_cF12_225_c_a:F-Pb +mp-2511,PbF2,-5.1715653725,-2.6596970375,0.0227109708,-0.3073514368,GGA,Pnma,A2B_oP12_62_2c_c:F-Pb,12.0,A2B_oP12_62_2c_c:F-Pb +mp-341,PbF4,-4.470785062,-2.199072474,0.0,-0.243381677,GGA,I4/mmm,A4B_tI10_139_ce_a:F-Pb,5.0,"Invalid WP multiplicities - A4B_tI10_139_c2e_a:F-Pb, expected PbF6 to be PbF4" +mp-1215930,YBiTe3,-5.017752136,-1.0703765513,0.0271447157,0.0271447157,GGA,R3m,AB3C_hR15_160_a_3a_a:Bi-Te-Y,5.0,AB3C_hR15_160_a_3a_a:Bi-Te-Y +mp-866160,Y2AgIr,-6.752306105,-0.6013230025,0.0162541055,0.0162541055,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ir-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Ir-Y +mp-29671,TmI2,-3.9075393667,-1.4333499922,0.0418362637,0.0418362637,GGA,P-3m1,A2B_hP3_164_d_a:I-Tm,3.0,A2B_hP3_164_d_a:I-Tm +mp-865353,TmI3,-3.8835681562,-1.6595845379,0.0,-0.5845720438,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Tm,8.0,A3B_hP8_194_h_c:I-Tm +mp-1206385,TmSeI,-2.1719545567,0.976416527,2.9088064803,2.9088064803,GGA,Pmmm,ABC_oP6_47_i_i_i:I-Se-Tm,6.0,ABC_oP6_47_i_i_i:I-Se-Tm +mp-24154,NbH2,-5.9691279067,-0.3402088633,0.0,-0.1841926033,GGA,Fm-3m,A2B_cF12_225_c_a:H-Nb,3.0,A2B_cF12_225_c_a:H-Nb +mp-1220590,Nb3SnH,-7.802205521,-0.260962917,0.0,-0.031204136,GGA,Ama2,AB3C_oC20_40_b_a2b_b:H-Nb-Sn,10.0,"Invalid WP multiplicities - AB3C_oC20_40_b_2a4b_b:H-Nb-Sn, expected Nb6SnH to be Nb3SnH" +mp-1220597,Nb3SnH2,-7.1235131017,-0.2736899242,0.0044214689,0.0044214689,GGA,Ama2,A2B3C_oC24_40_ab_a2b_b:H-Nb-Sn,12.0,"Invalid WP multiplicities - A2B3C_oC24_40_2ab_2a2b_b:H-Nb-Sn, expected Nb4SnH3 to be Nb3SnH2" +mp-1206371,NbH,-6.9810399325,-0.23402439,0.0211322575,0.0211322575,GGA,Cmme,AB_oC8_67_a_g:H-Nb,4.0,AB_oC8_67_a_g:H-Nb +mp-1220318,NbH,-6.948261005,-0.2012454625,0.053911185,0.053911185,GGA,I4/mmm,AB_tI4_139_a_b:H-Nb,2.0,AB_tI4_139_a_b:H-Nb +mp-978992,SnH4,-3.459892233,0.056202974,0.056202974,0.056202974,GGA,P2_1/m,A4B_mP10_11_4e_e:H-Sn,10.0,"Invalid WP multiplicities - A4B_mP10_11_7e_e:H-Sn, expected SnH7 to be SnH4" +mp-1179342,SnH4,-3.396765854,0.119329353,0.119329353,0.119329353,GGA,C2/c,A4B_mC20_15_2f_e:H-Sn,10.0,A4B_mC20_15_2f_e:H-Sn +mp-1079230,SnH4,-3.269678199,0.246417008,0.246417008,0.246417008,GGA,Ama2,A4B_oC20_40_2bc_a:H-Sn,10.0,A4B_oC20_40_2bc_a:H-Sn +mp-1079902,SnH4,-3.465820416,0.050274791,0.050274791,0.050274791,GGA,Cmcm,A4B_oC20_63_2cf_c:H-Sn,10.0,A4B_oC20_63_2cf_c:H-Sn +mp-1080725,SnH4,-3.136662182,0.379433025,0.379433025,0.379433025,GGA,P6_3/mmc,A4B_hP10_194_ef_c:H-Sn,10.0,A4B_hP10_194_ef_c:H-Sn +mp-1209856,NbH4,-4.490615756,0.243826088,0.447951406,0.447951406,GGA,Im-3m,A4B_cI10_229_c_a:H-Nb,5.0,A4B_cI10_229_c_a:H-Nb +mp-1213177,CsTmI3,-3.406957912,-1.4486905429,0.2033028719,0.2033028719,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cs-I-Tm,20.0,AB3C_oP20_62_c_cd_a:Cs-I-Tm +mp-669308,Cs3Tm2I9,-3.5484340239,-1.7699929444,0.0,-0.0670488704,GGA,P6_3/mmc,A3B9C2_hP28_194_bf_hk_f:Cs-I-Tm,28.0,"Invalid WP multiplicities - A3B9C2_hP28_194_2b3f_4h3k_f:Cs-I-Tm, expected Cs4TmI15 to be Cs3Tm2I9" +mp-867137,ScVRu2,-8.949609315,-0.4583142512,0.0,-0.069926675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sc-V,4.0,A2BC_cF16_225_c_a_b:Ru-Sc-V +mp-1186979,Sc3V,-6.841828225,0.1785001212,0.1785001212,0.1785001212,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sc-V,8.0,A3B_hP8_194_h_c:Sc-V +mp-1198478,BrN3,-6.1727669578,0.4678613184,0.4678613184,0.4678613184,GGA,I4_1cd,AB3_tI64_110_b_3b:Br-N,32.0,AB3_tI64_110_b_3b:Br-N +mp-36891,Br3N,-1.8348932025,1.4140017763,1.4140017763,1.4140017763,GGA,Fm-3m,A3B_cF16_225_ac_b:Br-N,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Br-N, expected Br5N to be Br3N" +mp-1106142,BrN4,-6.2206457655,0.7591558405000001,0.7591558405000001,0.7591558405000001,GGA,P2_12_12_1,AB4_oP20_19_a_4a:Br-N,20.0,AB4_oP20_19_a_4a:Br-N +mp-728880,Ge2Br7N3,-3.3075797275,0.4529818388,1.2876297775,1.2876297775,GGA,P2_1/c,A7B2C3_mP48_14_7e_2e_3e:Br-Ge-N,48.0,A7B2C3_mP48_14_7e_2e_3e:Br-Ge-N +mp-1182030,BrN,-3.153661605,1.7911000225,1.7911000225,1.7911000225,GGA,P4/nmm,AB_tP4_129_c_a:Br-N,4.0,AB_tP4_129_c_a:Br-N +mp-1059160,BrN,-2.2998297,2.6449319275,2.6449319275,2.6449319275,GGA,Pm-3m,AB_cP2_221_a_b:Br-N,2.0,AB_cP2_221_a_b:Br-N +mp-1058019,BrN,-2.906959815,2.0378018125,2.0378018125,2.0378018125,GGA,Fm-3m,AB_cF8_225_a_b:Br-N,2.0,AB_cF8_225_a_b:Br-N +mp-1207762,Y4Pt,-6.420256652,-0.0328530973,0.5311332572,0.5311332572,GGA,Fd-3m,AB4_cF40_227_a_e:Pt-Y,10.0,AB4_cF40_227_a_e:Pt-Y +mp-2674,YPt2,-7.2870226683,-1.0841100839,0.0,-0.01934942,GGA,Fd-3m,A2B_cF24_227_c_b:Pt-Y,6.0,A2B_cF24_227_c_b:Pt-Y +mp-12175,Y5Pt4,-7.4319681183,-1.1412026909,0.0052456608,0.0052456608,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Pt-Y,36.0,A4B5_oP36_62_2cd_c2d:Pt-Y +mp-1188890,Y7Pt3,-7.1679963575,-0.8201265822,0.0178985223,0.0178985223,GGA,P6_3mc,A3B7_hP20_186_c_b2c:Pt-Y,20.0,A3B7_hP20_186_c_b2c:Pt-Y +mp-1102657,Y2Pt,-7.2614117275,-0.9267198786,0.0,-0.0324988098,GGA,Pnma,AB2_oP12_62_c_2c:Pt-Y,12.0,AB2_oP12_62_c_2c:Pt-Y +mp-1178745,Y5Pt3,-7.2993868669,-0.981167426,0.02795063,0.02795063,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Pt-Y,16.0,A3B5_hP16_193_g_dg:Pt-Y +mp-2403,YPt3,-7.13895247,-0.9689847017,0.0,-0.1559021387,GGA,Pm-3m,A3B_cP4_221_c_a:Pt-Y,4.0,A3B_cP4_221_c_a:Pt-Y +mp-1025448,YPt,-7.525114805,-1.2563125883,0.0,-0.1293830492,GGA,Pnma,AB_oP8_62_c_c:Pt-Y,8.0,AB_oP8_62_c_c:Pt-Y +mp-7343,Y3Pt,-7.0726196081,-0.7049829431,0.0,-0.0099430342,GGA,Pnma,AB3_oP16_62_c_cd:Pt-Y,16.0,AB3_oP16_62_c_cd:Pt-Y +mp-1207770,Y5BiPt2,-6.968699765,-0.9293108479,0.0,-0.0056321844,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pt-Y,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pt-Y +mp-1206679,YBiPt,-6.5088457967,-1.0494812756,0.0,-0.193958378,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pt-Y,3.0,ABC_cF12_216_a_c_b:Bi-Pt-Y +mp-1210791,LuPPd,-6.3015150842,-1.2634701386,0.0,-0.0503630178,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-P-Pd,12.0,ABC_oP12_62_c_c_c:Lu-P-Pd +mp-1210990,Lu3(P3Pd10)2,-5.8952588279,-0.7352483866,0.0,-0.0411210166,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Lu-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Lu-P-Pd +mp-1217262,ThUSe2,-7.90932366,-1.4850508562,0.0756251436,0.0756251436,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Se-Th-U,4.0,A2BC_tP4_123_ad_b_c:Se-Th-U +mp-24012,HoHSe,-5.47086216,-1.6471800291,0.0,-0.1198949509,GGA,P-6m2,ABC_hP3_187_a_c_f:H-Ho-Se,3.0,ABC_hP3_187_a_c_f:H-Ho-Se +mp-24420,H2Se,-2.7818709767,0.6452502126,0.6452502126,0.6452502126,GGA,Fm-3m,A2B_cF12_225_c_a:H-Se,3.0,A2B_cF12_225_c_a:H-Se +mp-20976,Eu(BIr)2,-8.946277996,-0.6877472557000001,0.0,-0.1840192738,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Eu-Ir,10.0,A2BC2_oF40_70_e_a_f:B-Eu-Ir +mp-20578,Eu(BIr)4,-8.5500623867,-0.5135839863,0.0,-0.0423883911,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Eu-Ir,18.0,A4BC4_tP18_86_g_a_g:B-Eu-Ir +mp-1183296,BPb3,-3.4685640625,0.9857691827,0.9857691827,0.9857691827,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Pb,8.0,AB3_hP8_194_c_h:B-Pb +mp-10133,Sc3BPb,-6.398252382,-0.5203631508000001,0.0,-0.0187054722,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Pb-Sc,5.0,ABC3_cP5_221_b_a_c:B-Pb-Sc +mp-1096825,B6Pb,-6.1404710843,0.115100015,0.115100015,0.115100015,GGA,Pm-3m,A6B_cP7_221_e_b:B-Pb,7.0,A6B_cP7_221_e_b:B-Pb +mp-1105563,GdB4,-8.7563151835,-0.5975773188,0.0,-0.0897934964,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Gd,20.0,A4B_tP20_127_egi_h:B-Gd +mp-28366,Gd2B5,-9.3772728371,-0.5845295037,0.0,-0.0509783262,GGA,P2_1/c,A5B2_mP28_14_5e_2e:B-Gd,28.0,A5B2_mP28_14_5e_2e:B-Gd +mp-425,GdB2,-9.6221997867,-0.4772311928,0.0683296773,0.0683296773,GGA,P6/mmm,A2B_hP3_191_c_b:B-Gd,3.0,A2B_hP3_191_c_b:B-Gd +mp-1006223,GdB12,-7.4903419538,-0.2419709162,0.0039014104,0.0039014104,GGA,Fm-3m,A12B_cF52_225_h_b:B-Gd,13.0,A12B_cF52_225_h_b:B-Gd +mp-22266,GdB6,-8.1926875871,-0.456620035,0.0,-0.0241456888,GGA,Pm-3m,A6B_cP7_221_e_b:B-Gd,7.0,A6B_cP7_221_e_b:B-Gd +mp-1077270,GdB2Ir3,-9.673915145,-0.6822137581000001,0.0,-0.1072144034,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Gd-Ir,6.0,A2BC3_hP6_191_c_a_g:B-Gd-Ir +mp-1106191,Gd(BIr)4,-9.0284680317,-0.5676429157,0.0,-0.0634182185,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Gd-Ir,18.0,A4BC4_tP18_86_g_a_g:B-Gd-Ir +mp-2680,LaB6,-6.9925612557,-0.5622244371,0.0,-0.1587805305,GGA,Pm-3m,A6B_cP7_221_e_b:B-La,7.0,A6B_cP7_221_e_b:B-La +mp-1222902,LaEuB12,-7.3349933471,-0.5245854789000001,0.0013097193,-0.0052747971,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Eu-La,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Eu-La, expected LaEuB32 to be LaEuB12" +mp-1222891,LaEuB12,-7.3363030664,-0.5258951982,0.0,-0.0065845164,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Eu-La,14.0,A12BC_cF56_225_g_a_b:B-Eu-La +mp-7283,LaB4,-6.895536307,-0.5648214693,0.0,-0.0400786613,GGA,P4/mbm,A4B_tP20_127_egi_h:B-La,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-La, expected LaB6 to be LaB4" +mp-21343,CeB6,-7.0883723157,-0.5155952043,0.0,-0.067204959,GGA,Pm-3m,A6B_cP7_221_e_b:B-Ce,7.0,A6B_cP7_221_e_b:B-Ce +mp-1974,CeB4,-7.157877591,-0.6277463433,0.0,-0.1465241527,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Ce,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Ce, expected CeB6 to be CeB4" +mp-1213778,CeMnB4,-7.5572072846,-0.5884286962,0.0,-0.0292752025,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ce-Mn,24.0,A4BC_oP24_55_4h_g_g:B-Ce-Mn +mp-647729,Zr14P9,-8.5566121697,-1.2354151532,0.0,-0.0257015708,GGA,Pnnm,A9B14_oP92_58_9g_ac13g:P-Zr,92.0,"Invalid WP multiplicities - A9B14_oP92_58_35g_2ac44g:P-Zr, expected Zr13P10 to be Zr14P9" +mp-1523,ZrP2,-7.41872328,-0.9606213989,0.0,-0.0445523969,GGA,Pnma,A2B_oP12_62_2c_c:P-Zr,12.0,A2B_oP12_62_2c_c:P-Zr +mp-583740,Zr7P4,-8.5757883695,-1.1678688753,0.0,-0.0055256607,GGA,C2/m,A4B7_mC44_12_4i_ad6i:P-Zr,22.0,"Invalid WP multiplicities - A4B7_mC44_12_8i_ac11i:P-Zr, expected Zr3P2 to be Zr7P4" +mp-22268,ZrPRu,-8.8671520308,-1.1220168053,0.0,-0.2059478033,GGA,Pnma,ABC_oP12_62_c_c_c:P-Ru-Zr,12.0,ABC_oP12_62_c_c_c:P-Ru-Zr +mp-1178620,ZrPRu,-8.8490720044,-1.1039367789,0.0180800264,-0.1878677769,GGA,P-62m,ABC_hP9_189_ad_g_f:P-Ru-Zr,9.0,ABC_hP9_189_ad_g_f:P-Ru-Zr +mp-22447,Zr3P,-8.6263274231,-0.8622263240000001,0.0,-0.0527930701,GGA,P4_2/n,AB3_tP32_86_g_3g:P-Zr,32.0,AB3_tP32_86_g_3g:P-Zr +mp-28511,Zr2P,-8.5821455941,-1.0792443385,0.0071198564,0.0071198564,GGA,Cmmm,AB2_oC108_65_g2p2q_f3ghi2j2p3q:P-Zr,54.0,"Invalid WP multiplicities - AB2_oC108_65_g2p2q_f3ghi2j2p4q:P-Zr, expected Zr20P9 to be Zr2P" +mp-1188028,ZrP3,-6.439025085,-0.2421230475,0.4783430017,0.4783430017,GGA,I4/mmm,A3B_tI8_139_ad_b:P-Zr,4.0,A3B_tI8_139_ad_b:P-Zr +mp-11345,ZrP,-8.3546050713,-1.3741035029,0.0,-0.2471595686,GGA,P6_3/mmc,AB_hP8_194_ac_f:P-Zr,8.0,AB_hP8_194_ac_f:P-Zr +mp-930,ZrP,-8.31161126,-1.3311096917,0.0429938113,-0.2041657573,GGA,Fm-3m,AB_cF8_225_a_b:P-Zr,2.0,AB_cF8_225_a_b:P-Zr +mp-20967,GdBPd3,-7.857998178,-0.5989662898,0.1207213106,0.1207213106,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Gd-Pd,5.0,ABC3_cP5_221_b_a_c:B-Gd-Pd +mp-862798,Pt3W,-8.03325065,-0.2403681025,0.0122669675,0.0122669675,GGA,I4/mmm,A3B_tI8_139_ad_b:Pt-W,4.0,A3B_tI8_139_ad_b:Pt-W +mp-1018129,Pt2W,-8.7036457167,-0.33684676,0.0,-0.1231862244,GGA,Immm,A2B_oI6_71_e_a:Pt-W,3.0,A2B_oI6_71_e_a:Pt-W +mp-1096454,Ti2PtW,-5.4645225475,3.2405393483,3.7938772019,3.7938772019,GGA,Immm,AB2C_oI8_71_a_e_b:Pt-Ti-W,4.0,AB2C_oI8_71_a_e_b:Pt-Ti-W +mp-1219711,PtW,-9.56004428,-0.045412505,0.207222565,0.207222565,GGA,R-3m,AB_hR6_166_a_b:Pt-W,2.0,AB_hR6_166_a_b:Pt-W +mp-972147,UZn3,-3.6193709612,0.1482892487,0.2026274235,0.2026274235,GGA,P6_3/mmc,AB3_hP8_194_c_h:U-Zn,8.0,AB3_hP8_194_c_h:U-Zn +mp-1187756,U3Zn,-8.5763208975,0.2071725125,0.2252852374,0.2252852374,GGA,I4/mmm,A3B_tI8_139_ad_b:U-Zn,4.0,A3B_tI8_139_ad_b:U-Zn +mp-21899,UZnNi4,-6.2259261817,-0.2806427917,0.0,-0.0189636437,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-U-Zn,6.0,A4BC_cF24_216_e_a_c:Ni-U-Zn +mp-1179586,U2Zn17,-0.8050508147000001,1.5106576795,1.5754821687,1.5106576795,GGA,C2/m,A2B17_mC38_12_i_aeh2i2j:U-Zn,19.0,"Invalid WP multiplicities - A2B17_mC38_12_i_afh3i3j:U-Zn, expected U2Zn23 to be U2Zn17" +mp-528,U2Zn17,-2.3355006668,-0.0197921726,0.0450323166,-0.0197921726,GGA,R-3m,A2B17_hR57_166_c_cdfh:U-Zn,19.0,"Invalid WP multiplicities - A2B17_hR57_166_c_cdf2h:U-Zn, expected U2Zn23 to be U2Zn17" +mp-680401,U2Zn17,-2.3805329834,-0.0648244892,0.0,-0.0648244892,GGA,P6_3/mmc,A2B17_hP114_194_cdef_e2fgj4kl:U-Zn,114.0,"Invalid WP multiplicities - A2B17_hP114_194_2c2d2e3f_4e8f5g11j42k14l:U-Zn, expected U2Zn75 to be U2Zn17" +mp-569518,U2Zn17,-2.3780845487,-0.0623760545,0.0024484347,-0.0623760545,GGA,P6_3/mmc,A2B17_hP38_194_bc_fgjk:U-Zn,38.0,"Invalid WP multiplicities - A2B17_hP38_194_bc_4f4g9j8k:U-Zn, expected UZn61 to be U2Zn17" +mp-944,AlB2,-5.7444413467,-0.0429882228,0.0101366112,0.0101366112,GGA,P6/mmm,AB2_hP3_191_a_d:Al-B,3.0,AB2_hP3_191_a_d:Al-B +mp-530274,Al23B50,-5.8096191121,-0.0545803089,0.0,-0.0139476052,GGA,P-1,A23B50_aP73_2_a11i_25i:Al-B,73.0,"Invalid WP multiplicities - A23B50_aP73_2_a22i_48i:Al-B, expected Al15B32 to be Al23B50" +mp-1197767,LuAlB14,-6.5177060475,-0.1565803511,0.0540130137,0.0540130137,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Lu,32.0,AB14C_oI64_74_a_3i2j_e:Al-B-Lu +mp-8631,LuAlB4,-6.3301139821,-0.4994317432,0.0,-0.0349522792,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Lu,24.0,AB4C_oP24_55_g_4h_g:Al-B-Lu +mp-973540,LuAlB4,-6.32737944,-0.4966972011,0.0027345421,-0.0322177371,GGA,Cmmm,AB4C_oC24_65_h_gip_j:Al-B-Lu,12.0,"Invalid WP multiplicities - AB4C_oC24_65_h_2g2i3p_j:Al-B-Lu, expected LuAlB10 to be LuAlB4" +mp-1057216,LiS,-3.89905467,-0.8763683032,0.2514586242,0.2514586242,GGA,I-4m2,AB_tI4_119_a_c:Li-S,2.0,AB_tI4_119_a_c:Li-S +mp-1180520,LiS,-3.9964160625,-0.9737296957,0.1540972317,0.1540972317,GGA,I-42m,AB_tI16_121_ce_i:Li-S,8.0,AB_tI16_121_ce_i:Li-S +mp-32641,LiS,-3.778008075,-0.7553217082,0.3725052192,0.3725052192,GGA,Fm-3m,AB_cF8_225_a_b:Li-S,2.0,AB_cF8_225_a_b:Li-S +mp-723352,Li2S,-4.0732109603,-1.4217790936,0.081990143,-0.7726259631,GGA,P1,A2B_aP33_1_22a_11a:Li-S,33.0,A2B_aP33_1_22a_11a:Li-S +mp-1125,Li2S,-4.099629425,-1.4481975583,0.0555716783,-0.7990444278000001,GGA,Pnma,A2B_oP12_62_2c_c:Li-S,12.0,A2B_oP12_62_2c_c:Li-S +mp-32899,Li2S,-4.0800720094,-1.4286401427,0.0751290939,-0.7794870122,GGA,R3m,A2B_hR99_160_22a_11a:Li-S,33.0,A2B_hR99_160_22a_11a:Li-S +mp-557142,Li2S,-3.9802377733,-1.3288059066,0.17496333,-0.6796527761000001,GGA,P6_3/mmc,A2B_hP6_194_f_c:Li-S,6.0,A2B_hP6_194_f_c:Li-S +mp-1153,Li2S,-4.1552011033,-1.5037692366000002,0.0,-0.8546161061,GGA,Fm-3m,A2B_cF12_225_c_a:Li-S,3.0,A2B_cF12_225_c_a:Li-S +mp-1207212,LiHfS2,-6.7557129325,-1.7209600249,0.0,-0.0003436862,GGA,R3m,ABC2_hR12_160_a_a_2a:Hf-Li-S,4.0,ABC2_hR12_160_a_a_2a:Hf-Li-S +mp-684978,Sc29S42,-7.0086434208,-1.9752279497,0.2313714995,0.2313714995,GGA,Cm,A42B29_mC142_8_42a_29a:S-Sc,71.0,A42B29_mC142_8_42a_29a:S-Sc +mp-1476,ScS,-7.353946995,-2.1194875091,0.0,-0.2739537162,GGA,Fm-3m,AB_cF8_225_a_b:S-Sc,2.0,AB_cF8_225_a_b:S-Sc +mp-1188840,SmScS3,-6.9904757905,-2.2983948224,0.0,-0.0074254105,GGA,Pnma,A3BC_oP20_62_cd_a_c:S-Sc-Sm,20.0,A3BC_oP20_62_cd_a_c:S-Sc-Sm +mp-684969,Sc2S3,-7.225458196,-2.2106006339,0.0040399175,-0.2762394694,GGA,C2/m,A3B2_mC20_12_ij_adg:S-Sc,10.0,"Invalid WP multiplicities - A3B2_mC20_12_2i3j_adg:S-Sc, expected ScS4 to be Sc2S3" +mp-1105836,Sc2S3,-7.1364928145,-2.1216352524,0.093005299,-0.1872740879,GGA,Pnma,A3B2_oP20_62_cd_ac:S-Sc,20.0,A3B2_oP20_62_cd_ac:S-Sc +mp-401,Sc2S3,-7.2294981135,-2.2146405514,0.0,-0.2802793869,GGA,Fddd,A3B2_oF80_70_eh_2f:S-Sc,20.0,A3B2_oF80_70_eh_2f:S-Sc +mp-862373,ScS2,-6.3995907217,-1.5311344421,0.3143993507,0.3143993507,GGA,P4_2/mnm,A2B_tP6_136_f_a:S-Sc,6.0,A2B_tP6_136_f_a:S-Sc +mp-1216732,TiNbN2,-10.1297446025,-1.4622978758,0.1103046725,0.1103046725,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Nb-Ti,4.0,A2BC_tP4_123_ad_b_c:N-Nb-Ti +mp-35869,TiNbN2,-10.1458087338,-1.4783620071,0.0942405413,0.0942405413,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:N-Nb-Ti,8.0,A2BC_tI16_141_e_a_b:N-Nb-Ti +mp-1216799,TiNbN2,-10.154242755,-1.4867960283,0.08580652,0.08580652,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Nb-Ti,4.0,A2BC_hR12_166_c_a_b:N-Nb-Ti +mp-1207305,Y2(SiPt)3,-5.5060224463,0.4217645883,1.5509097362,1.5509097362,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Y,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Y +mp-1188158,YSiPt2,-7.1670593531,-1.1585454073,0.0,-0.0716521825,GGA,Pnma,A2BC_oP16_62_d_c_c:Pt-Si-Y,16.0,A2BC_oP16_62_d_c_c:Pt-Si-Y +mp-1080646,Y(SiPt)2,-6.980437872,-1.0885631093,0.0,-0.1191005251,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Pt-Si-Y,10.0,A2B2C_tP10_129_ac_bc_c:Pt-Si-Y +mp-3999,Y(SiPt)2,-6.9223223780000005,-1.0304476153,0.058115494,-0.0609850311,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Y +mp-9972,YSi,-6.762526,-0.8166314283,0.0,-0.1364926546,GGA,Cmcm,AB_oC8_63_c_c:Si-Y,4.0,AB_oC8_63_c_c:Si-Y +mp-1077026,YSi,-5.9820820167,-0.036187445,0.7804439833,0.6439513287,GGA,P-62m,AB_hP6_189_ad_f:Si-Y,6.0,AB_hP6_189_ad_f:Si-Y +mp-1103176,YSiPt,-7.1844227,-1.1967818789,0.0,-0.13137037,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Y,12.0,ABC_oP12_62_c_c_c:Pt-Si-Y +mp-1187788,Y3Si,-6.42546825,-0.2192854075,0.2430059874,0.2430059874,GGA,Pm-3m,AB3_cP4_221_a_c:Si-Y,4.0,AB3_cP4_221_a_c:Si-Y +mp-2538,Y5Si3,-6.7694757994,-0.6934370923000001,0.0,-0.0690607551,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Si-Y,16.0,A3B5_hP16_193_g_dg:Si-Y +mp-1216212,YSi2,-6.0155462542,-0.2431771964,0.3012437558,0.3012437558,GGA,Pm,A2B_mP12_6_8a_4b:Si-Y,12.0,A2B_mP12_6_8a_4b:Si-Y +mp-12769,YSi2,-6.2729193983,-0.5005503406,0.0438706117,0.0438706117,GGA,I4_1/amd,A2B_tI12_141_e_a:Si-Y,6.0,A2B_tI12_141_e_a:Si-Y +mp-2568,YSi2,-6.2511583033,-0.4787892456,0.0656317067,0.0656317067,GGA,P6/mmm,A2B_hP3_191_c_b:Si-Y,3.0,A2B_hP3_191_c_b:Si-Y +mp-1198133,Y5Si4,-6.7397541778,-0.7360177681000001,0.0258606219,0.0258606219,GGA,P2_1/c,A4B5_mP36_14_4e_5e:Si-Y,36.0,A4B5_mP36_14_4e_5e:Si-Y +mp-1199890,Y5Si4,-6.7437379944,-0.7400015848,0.0218768053,0.0218768053,GGA,Pnma,A4B5_oP36_62_2cd_c2d:Si-Y,36.0,A4B5_oP36_62_2cd_c2d:Si-Y +mp-1189560,YSi3,-5.9851166787,-0.2995103779,0.1088053363,0.1088053363,GGA,I4/mmm,A3B_tI32_139_im_de:Si-Y,16.0,A3B_tI32_139_im_de:Si-Y +mp-1579,ErC2,-7.87048706,-0.1954704617,0.080345016,0.080345016,GGA,I4/mmm,A2B_tI6_139_e_a:C-Er,3.0,A2B_tI6_139_e_a:C-Er +mp-29401,Er5C2Br9,-5.3870899848,-1.9325162345,0.0,-1.7552870399,GGA,P2_1/c,A9B2C5_mP64_14_9e_2e_5e:Br-C-Er,64.0,A9B2C5_mP64_14_9e_2e_5e:Br-C-Er +mp-1212833,Er4C7,-7.8346654018,-0.300889612,0.0,-0.0058554078,GGA,P2_1/c,A7B4_mP22_14_a3e_2e:C-Er,22.0,A7B4_mP22_14_a3e_2e:C-Er +mp-22827,Er15C19,-7.513784326,-0.3414188405,0.00480307,0.00480307,GGA,P4/mnc,A19B15_tP68_128_aeghi_behi:C-Er,68.0,"Invalid WP multiplicities - A19B15_tP68_128_aeg3h3i_behi:C-Er, expected Er15C43 to be Er15C19" +mp-1225044,Er2C,-6.44081043,-0.3194427258,0.0,-0.1157893824,GGA,R-3m,AB2_hR9_166_a_c:C-Er,3.0,AB2_hR9_166_a_c:C-Er +mp-1203719,Er3C4,-7.5788357979,-0.3477188836,0.0,-0.0128885383,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Er,70.0,A4B3_tP70_128_2eghi_aehi:C-Er +mp-9544,Er2C3,-7.633686545,-0.2693997255,0.0577142786,0.0577142786,GGA,I-43d,A3B2_cI40_220_d_c:C-Er,20.0,A3B2_cI40_220_d_c:C-Er +mp-1212658,GaC6,-6.0712650471,2.2716048068,2.2716048068,2.2716048068,GGA,Pm-3m,A6B_cP7_221_e_a:C-Ga,7.0,A6B_cP7_221_e_a:C-Ga +mp-8577,Sc3GaC,-6.922800604,-0.671966838,0.0,-0.1523245427,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Sc,5.0,ABC3_cP5_221_b_a_c:C-Ga-Sc +mp-16733,Sc2GaC,-6.7648178562,-0.534392925,0.0557562121,0.0557562121,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-Sc,8.0,ABC2_hP8_194_a_c_f:C-Ga-Sc +mp-1184015,GaC,-5.1320308675,0.99634989,0.99634989,0.99634989,GGA,P6_3mc,AB_hP4_186_b_b:C-Ga,4.0,AB_hP4_186_b_b:C-Ga +mp-1064861,GaC3,-4.454917185,3.22360594,3.22360594,3.22360594,GGA,Pm-3m,A3B_cP4_221_c_a:C-Ga,4.0,A3B_cP4_221_c_a:C-Ga +mp-12574,Dy2C,-6.42483615,-0.2774230925,0.0,-0.0835928307,GGA,R-3m,AB2_hR9_166_a_c:C-Dy,3.0,AB2_hR9_166_a_c:C-Dy +mp-1224869,Gd2C,-12.7159478433,-0.2556445192,0.0,-0.1281101028,GGA,R-3m,AB2_hR9_166_a_c:C-Gd,3.0,AB2_hR9_166_a_c:C-Gd +mp-1213387,Dy3C4,-7.564419282,-0.3165589263,0.0,-0.0050460055,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Dy,70.0,A4B3_tP70_128_2eghi_aehi:C-Dy +mp-1212812,Dy4C5,-7.4975476389,-0.3230504364,0.0,-0.0091005657,GGA,Pbam,A5B4_oP18_55_a2h_gh:C-Dy,18.0,A5B4_oP18_55_a2h_gh:C-Dy +mp-1189998,Gd2C3,-11.397210141,-0.2295619495,0.0,-0.0378032817,GGA,I-43d,A3B2_cI40_220_d_c:C-Gd,20.0,A3B2_cI40_220_d_c:C-Gd +mp-12765,GdC2,-11.0202716133,-0.175787205,0.0155144196,0.0155144196,GGA,I4/mmm,A2B_tI6_139_e_a:C-Gd,3.0,A2B_tI6_139_e_a:C-Gd +mp-1224575,GdDyC4,-9.4475509767,-0.181289135,0.0374679264,0.0374679264,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Dy-Gd,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_c_a:C-Dy-Gd, expected GdDyC6 to be GdDyC4" +mp-541840,DyC2,-7.8795223067,-0.1914830317,0.0547294666,0.0547294666,GGA,I4/mmm,A2B_tI6_139_e_a:C-Dy,3.0,A2B_tI6_139_e_a:C-Dy +mp-2238,Dy2C3,-7.6414534915,-0.26153946,0.0339155379,0.0339155379,GGA,I-43d,A3B2_cI40_220_d_c:C-Dy,20.0,A3B2_cI40_220_d_c:C-Dy +mp-8455,CsF,-4.137253035,-2.7338123652,0.10877167,-2.7338123652,GGA,Pm-3m,AB_cP2_221_a_b:Cs-F,2.0,AB_cP2_221_a_b:Cs-F +mp-1784,CsF,-4.246024705,-2.8425840352,0.0,-2.8425840352,GGA,Fm-3m,AB_cF8_225_a_b:Cs-F,2.0,AB_cF8_225_a_b:Cs-F +mp-1207159,Cs3EuF6,-5.692368704,-3.2511604319,0.0,-0.0206569295,GGA,I4/mmm,A3BC6_tI20_139_bd_a_ei:Cs-Eu-F,10.0,A3BC6_tI20_139_bd_a_ei:Cs-Eu-F +mp-19908,EuF3,-7.8102423787,-3.8123827031,0.0,-0.7494668069,GGA,Pnma,AB3_oP16_62_c_cd:Eu-F,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:Eu-F, expected EuF5 to be EuF3" +mp-8396,CsEuF3,-6.966994128,-3.5896259131,0.0,-0.002259582,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Eu-F,5.0,ABC3_cP5_221_a_b_c:Cs-Eu-F +mp-504731,EuF2,-8.7772077733,-4.0838878617,0.0,-0.6951032367000001,GGA,Fm-3m,AB2_cF12_225_a_c:Eu-F,3.0,AB2_cF12_225_a_c:Eu-F +mp-1245630,Cd(PbN)2,-4.6522619275,0.3519728225,0.3519728225,0.3519728225,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Cd-N-Pb,20.0,AB2C2_oP20_62_c_2c_2c:Cd-N-Pb +mp-1245762,Cd(PbN)2,-4.619835766,0.384398984,0.384398984,0.384398984,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cd-N-Pb,5.0,AB2C2_hP5_164_a_d_d:Cd-N-Pb +mp-973785,PbN,-5.3629505325,0.661620465,0.661620465,0.661620465,GGA,P6_3mc,AB_hP4_186_b_b:N-Pb,4.0,AB_hP4_186_b_b:N-Pb +mp-1080242,Pb3N4,-5.8737956671,0.4810501771,0.4810501771,0.4810501771,GGA,R3m,A4B3_hR21_160_ab_b:N-Pb,7.0,A4B3_hR21_160_ab_b:N-Pb +mp-1080198,Pb3N2,-5.214751388,0.347434824,0.347434824,0.347434824,GGA,Pmmn,A2B3_oP10_59_e_ae:N-Pb,10.0,A2B3_oP10_59_e_ae:N-Pb +mp-1080196,Pb3N2,-5.1975721205,0.3646140915,0.3646140915,0.3646140915,GGA,Pnma,A2B3_oP20_62_2c_3c:N-Pb,20.0,A2B3_oP20_62_2c_3c:N-Pb +mp-620058,PbN6,-7.5663196776,0.1096255538,0.1096255538,0.1096255538,GGA,Pna2_1,A6B_oP84_33_18a_3a:N-Pb,84.0,A6B_oP84_33_66a_11a:N-Pb +mp-667338,PbN6,-7.5666344002,0.1093108312,0.1093108312,0.1093108312,GGA,Pnma,A6B_oP84_62_4c7d_cd:N-Pb,84.0,"Invalid WP multiplicities - A6B_oP84_62_16c48d_3c3d:N-Pb, expected Pb9N112 to be PbN6" +mp-985551,CeY3,-6.2410539575,0.0920716662,0.0920716662,0.0920716662,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Y,4.0,AB3_tI8_139_a_bd:Ce-Y +mp-1006351,CeY3,-6.2578934137,0.07523221,0.07523221,0.07523221,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Y,8.0,AB3_hP8_194_c_h:Ce-Y +mp-984700,CeY3,-6.2578628275,0.0752627962,0.0752627962,0.0752627962,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Y,4.0,AB3_cP4_221_a_c:Ce-Y +mp-1226802,Ce3Y,-5.992900205,0.0735344396,0.0735344396,0.0735344396,GGA,P-6m2,A3B_hP4_187_ai_d:Ce-Y,4.0,A3B_hP4_187_ai_d:Ce-Y +mp-1226533,CeY,-6.090307045,0.1094730892,0.1094730892,0.1094730892,GGA,P-6m2,AB_hP2_187_a_d:Ce-Y,2.0,AB_hP2_187_a_d:Ce-Y +mp-1184469,Gd3Y,-12.1387204825,0.0349889758,0.0349889758,0.0349889758,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-Y,4.0,A3B_cP4_221_c_a:Gd-Y +mp-1184538,GdY3,-8.34629211,0.022591785,0.022591785,0.022591785,GGA,I4/mmm,AB3_tI8_139_a_bd:Gd-Y,4.0,AB3_tI8_139_a_bd:Gd-Y +mp-1184639,GdY3,-8.343768325,0.02511557,0.02511557,0.02511557,GGA,Pm-3m,AB3_cP4_221_a_c:Gd-Y,4.0,AB3_cP4_221_a_c:Gd-Y +mp-1184732,GdYIr2,-10.3291104025,-0.7742449742,0.0,-0.16306739,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ir-Y,4.0,AB2C_cF16_225_a_c_b:Gd-Ir-Y +mp-29504,ClF,-2.45990646,-0.5798986463,0.0611979835,0.0611979835,GGA,P2_1/c,AB_mP8_14_e_e:Cl-F,8.0,AB_mP8_14_e_e:Cl-F +mp-1207279,Yb2Cl2F,-3.535461024,-1.7979072545,1.3196508915,1.3196508915,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-F-Yb,,A2BC2_tP5_123_g_a_g:Cl-F-Yb +mp-1213763,ClF5,-2.86714295,-0.9661543671,0.0,-0.3250577373,GGA,Cmc2_1,AB5_oC24_36_a_3ab:Cl-F,12.0,AB5_oC24_36_a_3ab:Cl-F +mp-619575,ClF3,-2.8573883353,-0.9616449447,0.0,-0.0920545078,GGA,P2_1/c,AB3_mP32_14_2e_6e:Cl-F,32.0,"Invalid WP multiplicities - AB3_mP32_14_5e_22e:Cl-F, expected Cl5F22 to be ClF3" +mp-556767,ClF3,-2.8522038688,-0.9564604781,0.0051844666,-0.0868700413,GGA,Pnma,AB3_oP16_62_c_cd:Cl-F,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_4c3d:Cl-F, expected ClF10 to be ClF3" +mp-557483,YbClF,-5.5167972133,-3.7502559108,0.0,-0.0709246533,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Yb,,ABC_tP6_129_c_a_c:Cl-F-Yb +mp-1185290,Li3W,-3.6959765025,0.975248205,0.975248205,0.975248205,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-W,4.0,A3B_tI8_139_ad_b:Li-W +mp-1185288,Li3W,-3.6879555437,0.9832691638,0.9832691638,0.9832691638,GGA,P6_3/mmc,A3B_hP8_194_h_c:Li-W,8.0,A3B_hP8_194_h_c:Li-W +mp-1096467,LiRh2W,-4.6619748875,2.7369423217,2.9188080662,2.9188080662,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Rh-W,4.0,AB2C_oI8_71_a_e_b:Li-Rh-W +mp-1219506,Rh3W,-8.83414318,-0.07137972,0.1907042512,-0.07137972,GGA,P-6m2,A3B_hP4_187_ah_b:Rh-W,4.0,A3B_hP4_187_ah_b:Rh-W +mp-30866,Rh3W,-9.0248474313,-0.2620839713,0.0,-0.2620839713,GGA,P6_3/mmc,A3B_hP8_194_h_c:Rh-W,8.0,A3B_hP8_194_h_c:Rh-W +mp-1185237,LiW3,-9.70112517,0.4947032192,0.4947032192,0.4947032192,GGA,Pm-3m,AB3_cP4_221_a_c:Li-W,4.0,AB3_cP4_221_a_c:Li-W +mp-582028,Mn3RhN,-8.866305582,-0.2289358478,0.0846680285,0.0846680285,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Rh,5.0,A3BC_cP5_221_c_b_a:Mn-N-Rh +mp-21186,Mn3RhN,-6.88826405,1.7491056842,2.0627095605,2.0627095605,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Mn-N-Rh,5.0,A3BC_cP5_221_c_a_b:Mn-N-Rh +mp-9981,Mn2N,-9.2906382842,-0.4037964478,0.0,-0.0543823764,GGA,Pbcn,A2B_oP12_60_d_c:Mn-N,12.0,A2B_oP12_60_d_c:Mn-N +mp-1221793,Mn2N,-9.2204593333,-0.333617497,0.0701789508,0.0157965744,GGA,P-3m1,A2B_hP3_164_d_a:Mn-N,3.0,A2B_hP3_164_d_a:Mn-N +mp-1247541,MnRhN2,-8.4422275656,-0.1423993126,0.0966884306,0.0966884306,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Rh,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Rh +mp-1222092,Mn12Rh4N,-8.78355032,-0.0930850312,0.0632999599,0.0632999599,GGA,P2/m,A12BC4_mP17_10_mn2o_a_mn:Mn-N-Rh,17.0,"Invalid WP multiplicities - A12BC4_mP17_10_2m2n8o_a_m2n:Mn-N-Rh, expected Mn40Rh6N to be Mn12Rh4N" +mp-12857,Mn3N2,-9.169803274,-0.3379961288,0.0955519345,0.0955519345,GGA,I4/mmm,A3B2_tI10_139_ae_e:Mn-N,5.0,A3B2_tI10_139_ae_e:Mn-N +mp-1001117,Mn3N2,-9.069732978,-0.2379258328,0.1956222305,0.1956222305,GGA,P-3m1,A3B2_hP5_164_ad_d:Mn-N,5.0,A3B2_hP5_164_ad_d:Mn-N +mp-1420147,MnN,-8.956196265,-0.2069411565,0.27123433,0.1476982578,GGA,Pm,AB_mP4_6_2a_ab:Mn-N,4.0,AB_mP4_6_2a_ab:Mn-N +mp-999517,MnN,-9.137970625,-0.3887155165,0.08945997,-0.0340761022,GGA,P6_3mc,AB_hP4_186_b_b:Mn-N,4.0,AB_hP4_186_b_b:Mn-N +mp-1009130,MnN,-9.227430595,-0.4781754865,0.0,-0.1235360723,GGA,F-43m,AB_cF8_216_a_c:Mn-N,2.0,AB_cF8_216_a_c:Mn-N +mp-1009128,MnN,-8.50446632,0.2447887885,0.722964275,0.5994282027,GGA,Pm-3m,AB_cP2_221_a_b:Mn-N,2.0,AB_cP2_221_a_b:Mn-N +mp-6933,MnN,-9.137716745,-0.3884616365,0.08971385,-0.0338222223,GGA,Fm-3m,AB_cF8_225_a_b:Mn-N,2.0,AB_cF8_225_a_b:Mn-N +mp-637576,Mn4N,-7.25626164,1.7406495787,1.987054518,1.9829274473,GGA,Pm-3m,A4B_cP5_221_bc_a:Mn-N,5.0,A4B_cP5_221_bc_a:Mn-N +mp-505622,Mn4N,-9.243316158,-0.2464049393,0.0,-0.0041270707,GGA,Pm-3m,A4B_cP5_221_ac_b:Mn-N,5.0,A4B_cP5_221_ac_b:Mn-N +mp-1080204,Mn3N4,-9.0238614821,-0.3335721141,0.0762925886,0.0762925886,GGA,Pnma,A3B4_oP28_62_a2c_2cd:Mn-N,28.0,A3B4_oP28_62_a2c_2cd:Mn-N +mp-1080197,Mn3N4,-8.9414606993,-0.2511713313,0.1586933714,0.1586933714,GGA,P6_3/m,A3B4_hP14_176_h_ch:Mn-N,14.0,A3B4_hP14_176_h_ch:Mn-N +mp-1246989,Ba(RuN2)2,-7.8380119469,-0.1503319869,0.2579185506,0.2579185506,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Ru,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Ru +mp-1247564,Ba2RuN3,-6.868089415,-0.5144498825,0.0990887397,0.0990887397,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ba-N-Ru,24.0,"Invalid WP multiplicities - A2B3C_oC48_64_2f_2e2f_f:Ba-N-Ru, expected Ba2RuN4 to be Ba2RuN3" +mp-1102371,BaN2,-4.8934355325,1.3038860642,2.0567781792,1.8092212036,GGA,Cc,AB2_mC24_9_2a_4a:Ba-N,12.0,AB2_mC24_9_2a_4a:Ba-N +mp-1001,BaN2,-6.9502137117,-0.7528921150000001,0.0,-0.2475569756,GGA,C2/c,AB2_mC12_15_e_f:Ba-N,6.0,AB2_mC12_15_e_f:Ba-N +mp-1245703,Ba(RuN)2,-7.576359335,-0.148205361,0.303529908,0.303529908,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-N-Ru,10.0,AB2C2_tI20_140_a_h_h:Ba-N-Ru +mp-10736,Ba3N,-3.92416573,-0.4008107938,0.0,-0.006712915,GGA,P6_3/mcm,A3B_hP8_193_g_b:Ba-N,8.0,A3B_hP8_193_g_b:Ba-N +mp-1246017,BaRuN2,-7.3438479438,-0.3772561112,0.187412975,0.187412975,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ba-N-Ru,16.0,AB2C_oC32_64_f_ef_f:Ba-N-Ru +mp-1246404,Ba3(RuN2)2,-6.7282409544,-0.3224954433,0.2445920146,0.2445920146,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Ru,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Ru +mp-1247072,Ba3(RuN2)2,-6.7819746422,-0.3762291311,0.1908583269,0.1908583269,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ru,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ru +mp-1057758,BaN,-5.24955661,-0.1218216775,0.5173562992,0.5173562992,GGA,Fm-3m,AB_cF8_225_a_b:Ba-N,2.0,AB_cF8_225_a_b:Ba-N +mp-1892,Ba2N,-4.5836121067,-0.5254638383,0.0,-0.0542367803,GGA,R-3m,A2B_hR9_166_c_a:Ba-N,3.0,A2B_hR9_166_c_a:Ba-N +mp-1214623,Ba3N2,-4.9427935165,-0.4568105825,0.1141389112,0.1141389112,GGA,Ia-3,A3B2_cI80_206_e_ad:Ba-N,40.0,A3B2_cI80_206_e_ad:Ba-N +mp-1013528,Ba3N2,-4.373828478,0.112154456,0.6831039497,0.6831039497,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ba-N,5.0,A3B2_cP5_221_c_ab:Ba-N +mp-1707,BaN6,-7.9135393814,-0.4938330257,0.0,-0.1711649764,GGA,P2_1/m,AB6_mP14_11_e_6e:Ba-N,14.0,AB6_mP14_11_e_6e:Ba-N +mp-1245574,Ba2RuN2,-6.464231398,-0.5071629440000001,0.0618592113,0.0618592113,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ba-N-Ru,5.0,A2B2C_tI10_139_e_e_a:Ba-N-Ru +mp-1029537,Ba3RuN3,-6.3297826143,-0.6096665950000001,0.0,-0.0617997579,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Ru,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Ru +mp-1245784,Ba4RuN4,-6.0569719439,-0.4684961661,0.1477285137,0.1477285137,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-Ru +mp-1245968,Ba3Ru3N5,-7.2307500773,-0.3886948895,0.1512967539,0.1512967539,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ru,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ru +mp-570157,ZrBrN,-8.0625023433,-1.9167610483,0.01432291,-0.1620857652,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-N-Zr,6.0,ABC_oP6_59_a_a_b:Br-N-Zr +mp-1172825,ZrBrN,-7.8204300567,-1.6746887617,0.2563951967,0.0799865215,GGA,P-3m1,ABC_hP6_164_d_d_c:Br-N-Zr,6.0,ABC_hP6_164_d_d_c:Br-N-Zr +mp-541912,ZrBrN,-8.076825253300001,-1.9310839583,0.0,-0.1764086752,GGA,R-3m,ABC_hR18_166_c_c_c:Br-N-Zr,6.0,ABC_hR18_166_c_c_c:Br-N-Zr +mp-979713,YHgPd2,-4.9626355425,-0.6801567679,0.0151865183,0.0151865183,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Hg-Pd-Y +mp-1096132,Y2HgPd,-2.9047618575,1.6993642429,2.4127077962,2.4127077962,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Pd-Y +mp-1181272,InO3,-5.0487210569,-0.6507835909,0.5978581398,0.5978581398,GGA,Imm2,AB3_oI32_44_e_2c2de:In-O,16.0,AB3_oI32_71_k_lmn:In-O +mp-1244879,In2O3,-5.4430195949,-1.3743328761,0.6234938931,0.0624844821,GGA,P1,A2B3_aP100_1_40a_60a:In-O,100.0,A2B3_aP100_1_40a_60a:In-O +mp-1245022,In2O3,-5.4848203825,-1.4161336637,0.5816931055,0.0206836945,GGA,P1,A2B3_aP100_1_40a_60a:In-O,100.0,A2B3_aP100_1_40a_60a:In-O +mp-1245202,In2O3,-5.6541087496,-1.5854220308,0.4124047384,-0.1486046726,GGA,P1,A2B3_aP100_1_40a_60a:In-O,100.0,A2B3_aP100_1_40a_60a:In-O +mp-1105681,In2O3,-6.016995371,-1.9483086523,0.049518117,-0.511491294,GGA,Pbcn,A2B3_oP20_60_d_cd:In-O,20.0,A2B3_oP20_60_d_cd:In-O +mp-1194571,In2O3,-6.0246724192,-1.9559857005,0.0418410688,-0.5191683422,GGA,Pbca,A2B3_oP40_61_2c_3c:In-O,40.0,A2B3_oP40_61_2c_3c:In-O +mp-644741,In2O3,-5.8229233115,-1.7542365928,0.2435901765,-0.3174192345,GGA,Pnma,A2B3_oP20_62_2c_3c:In-O,20.0,"Invalid WP multiplicities - A2B3_oP20_62_4c_11c:In-O, expected In4O11 to be In2O3" +mp-1105699,In2O3,-5.8203355205000005,-1.7516488018,0.2461779675,-0.3148314435,GGA,Pnma,A2B3_oP20_62_2c_3c:In-O,20.0,A2B3_oP20_62_2c_3c:In-O +mp-22323,In2O3,-6.037110398,-1.9684236793,0.02940309,-0.531606321,GGA,R-3c,A2B3_hR30_167_c_e:In-O,10.0,A2B3_hR30_167_c_e:In-O +mp-22598,In2O3,-6.066513488,-1.9978267692,0.0,-0.561009411,GGA,Ia-3,A2B3_cI80_206_ad_e:In-O,40.0,"Invalid WP multiplicities - A2B3_cI80_206_3a3d_e:In-O, expected In2O to be In2O3" +mp-1222556,LuInO6,-5.9049351538,-1.2858393391,0.627494564,0.627494564,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:In-Lu-O,16.0,ABC6_mC32_12_e_f_2i2j:In-Lu-O +mp-1181008,InO2,-5.6498664717,-1.4348460875,0.2300095535,0.2300095535,GGA,Pnnm,AB2_oP6_58_a_g:In-O,6.0,AB2_oP6_58_a_g:In-O +mp-1184809,InO,-5.2046430925,-1.3554568719,0.3093987692,0.3093987692,GGA,P6_3mc,AB_hP4_186_b_b:In-O,4.0,AB_hP4_186_b_b:In-O +mp-2646987,InO,-5.2889604850000005,-1.4397742644,0.2250813767,0.2250813767,GGA,P-6m2,AB_hP4_187_g_h:In-O,4.0,AB_hP4_187_g_h:In-O +mp-505319,PtF6,-3.9649047832,-1.4591894796,0.0,-0.1683483923,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Pt,28.0,A6B_oP28_62_2c2d_c:F-Pt +mp-1184655,HgF3,-2.632308075,-1.1227787581,0.1573666919,0.1573666919,GGA,Fm-3m,A3B_cF16_225_ac_b:F-Hg,4.0,A3B_cF16_225_ac_b:F-Hg +mp-1102332,HgF2,-3.0454326283,-1.6698865283000002,0.0369740717,-0.4481652175,GGA,Pnma,A2B_oP12_62_2c_c:F-Hg,12.0,A2B_oP12_62_2c_c:F-Hg +mp-974603,HgF2,-3.07430805,-1.69876195,0.00809865,-0.4770406392,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Hg,6.0,A2B_tP6_136_f_a:F-Hg +mp-8177,HgF2,-3.0824067,-1.7068606,0.0,-0.4851392892,GGA,Fm-3m,A2B_cF12_225_c_a:F-Hg,3.0,A2B_cF12_225_c_a:F-Hg +mp-1100763,Pt3F,-5.00055619,0.0306635419,0.5213663997,0.5213663997,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Pt,4.0,AB3_cF16_225_a_bc:F-Pt +mp-541341,PtF5,-4.1107359615,-1.5059812685,0.0,-0.0005169283,GGA,P2_1/c,A5B_mP48_14_10e_2e:F-Pt,48.0,A5B_mP48_14_10e_2e:F-Pt +mp-660594,PtF4,-4.278951346,-1.535541508,0.034707637,-0.0897994902,GGA,Cc,A4B_mC20_9_4a_a:F-Pt,10.0,"Invalid WP multiplicities - A4B_oF40_43_3b_a:F-Pt, expected PtF6 to be PtF4" +mp-8943,PtF4,-4.313658983,-1.570249145,0.0,-0.1245071272,GGA,Fdd2,A4B_oF40_43_2b_a:F-Pt,10.0,"Invalid WP multiplicities - A4B_oF40_43_3b_a:F-Pt, expected PtF6 to be PtF4" +mp-1207330,Hg3PtF6,-3.131600133,-1.286495311,0.249679229,0.249679229,GGA,P-1,A6B3C_aP10_2_3i_bce_d:F-Hg-Pt,10.0,A6B3C_aP10_2_3i_bce_d:F-Hg-Pt +mp-982008,Hg3F,-1.254964545,-0.5493345294,0.1604686787,0.1604686787,GGA,I4/mmm,AB3_tI8_139_a_bd:F-Hg,4.0,AB3_tI8_139_a_bd:F-Hg +mp-973777,Hg3F,-1.2467343675,-0.5411043519000001,0.1686988562,0.1686988562,GGA,Pm-3m,AB3_cP4_221_a_c:F-Hg,4.0,AB3_cP4_221_a_c:F-Hg +mp-973778,Hg3F,-1.25310396,-0.5474739444,0.1623292637,0.1623292637,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Hg,4.0,AB3_cF16_225_a_bc:F-Hg +mp-706,HgF,-2.5271860825,-1.4196064162,0.0,-0.1394609662,GGA,I4/mmm,AB_tI8_139_e_e:F-Hg,4.0,AB_tI8_139_e_e:F-Hg +mp-1097198,Y2NiRh,-4.587164345,1.9321823492,2.5740965269,2.5740965269,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Ni-Rh-Y +mp-1183476,BeReO3,-7.214683852,-1.0098826153,1.3708954873,1.3708954873,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Re,5.0,AB3C_cP5_221_b_c_a:Be-O-Re +mp-1217817,Tb2P7Rh12,-7.3779452467,-0.9239669521,0.0,-0.0566791283,GGA,P-3,A7B12C2_hP21_147_ag_2g_d:P-Rh-Tb,21.0,A7B12C2_hP21_147_ag_2g_d:P-Rh-Tb +mp-27636,Cs2SnI6,-2.8264911144,-1.1997605923,0.0,-0.0118953181,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Sn,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Sn +mp-23182,SnI4,-2.6984767285,-0.7178692775000001,0.0,-0.2406214155,GGA,Pa-3,A4B_cP40_205_cd_c:I-Sn,40.0,A4B_cP40_205_cd_c:I-Sn +mp-571436,SnI4,-2.679126544,-0.698519093,0.0193501845,-0.221271231,GGA,P-43m,A4B_cP5_215_e_a:I-Sn,5.0,A4B_cP5_215_e_a:I-Sn +mp-27194,SnI2,-3.0972821744,-0.7785139894,0.0,-0.1802895915,GGA,C2/m,A2B_mC18_12_3i_ai:I-Sn,9.0,A2B_mC18_12_3i_ai:I-Sn +mp-978846,SnI2,-3.0911512617,-0.7723830767000001,0.0061309128,-0.1741586788,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Sn,6.0,A2B_tP6_136_f_a:I-Sn +mp-27381,CsSnI3,-3.0762044355,-1.2111897801,0.0032493385,-0.0397786708,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cs-I-Sn,20.0,AB3C_oP20_62_c_3c_c:Cs-I-Sn +mp-568570,CsSnI3,-3.068394613,-1.2033799576,0.011059161,-0.0319688483,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cs-I-Sn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c4d_a:Cs-I-Sn, expected CsSnI11 to be CsSnI3" +mp-616378,CsSnI3,-3.06760978,-1.2025951246,0.011843994,-0.0311840153,GGA,P4/mbm,AB3C_tP10_127_c_bg_a:Cs-I-Sn,10.0,"Invalid WP multiplicities - AB3C_tP10_127_c_b2g_a:Cs-I-Sn, expected CsSnI5 to be CsSnI3" +mp-614013,CsSnI3,-3.079453774,-1.2144391186,0.0,-0.0430280093,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-I-Sn,5.0,AB3C_cP5_221_a_c_b:Cs-I-Sn +mp-1095094,SnI3,-2.7039775538,-0.5965598275,0.144051217,0.144051217,GGA,I4/mcm,A3B_tI16_140_ah_c:I-Sn,8.0,A3B_tI16_140_ah_c:I-Sn +mp-1067833,SnI3,-2.6835718175,-0.5761540913000001,0.1644569532,0.1644569532,GGA,Pm-3m,A3B_cP4_221_c_b:I-Sn,4.0,A3B_cP4_221_c_b:I-Sn +mp-865350,Lu2Mn12P7,-8.1862351419,-0.7157969471000001,0.0,-0.0466412301,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Lu-Mn-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Lu-Mn-P +mp-1226478,Cr2B3Os,-8.7235395271,-0.2949332467,0.1369955938,0.1369955938,GGA,Pm,A3B2C_mP24_6_6a6b_2a6b_4a:B-Cr-Os,24.0,A3B2C_mP24_6_6a6b_2a6b_4a:B-Cr-Os +mp-22451,MoPRu,-9.0356285842,-0.5245101986,0.0,-0.0766309548,GGA,Pnma,ABC_oP12_62_c_c_c:Mo-P-Ru,12.0,ABC_oP12_62_c_c_c:Mo-P-Ru +mp-1180385,MoPRu,-7.4658213125,1.0452970731,1.5698072717,1.4931763168,GGA,Pnma,ABC_oP12_62_c_c_c:Mo-P-Ru,12.0,ABC_oP12_62_c_c_c:Mo-P-Ru +mp-1095073,MoPRu,-8.99918714,-0.4880687544,0.0364414442,-0.0401895107,GGA,P-62m,ABC_hP9_189_f_ad_g:Mo-P-Ru,9.0,ABC_hP9_189_f_ad_g:Mo-P-Ru +mp-1203280,U(Zn10Ir)2,-2.5123851787,-0.1574655887,0.0,-0.0130750853,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Ir-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Ir-U-Zn +mp-1655,UIr2,-10.2317374017,-0.5756446117,0.0303980442,0.0303980442,GGA,Fd-3m,A2B_cF24_227_c_b:Ir-U,6.0,A2B_cF24_227_c_b:Ir-U +mp-644899,UIr,-10.1303022019,-0.0653801069,0.4315842056,0.3750077781,GGA,P-1,AB_aP16_2_4i_4i:Ir-U,16.0,AB_aP16_2_4i_4i:Ir-U +mp-1105762,UIr,-10.5618864075,-0.4969643125,0.0,-0.0565764275,GGA,P2_1,AB_mP16_4_4a_4a:Ir-U,16.0,AB_mP16_14_4e_4e:Ir-U +mp-2236,UIr,-10.5617288625,-0.4968067675,0.000157545,-0.0564188825,GGA,P2_1/c,AB_mP16_14_2e_2e:Ir-U,16.0,AB_mP16_14_4e_4e:Ir-U +mp-1044,UIr3,-10.112259965,-0.6605818275,0.0,-0.2288483687,GGA,Pm-3m,A3B_cP4_221_c_a:Ir-U,4.0,A3B_cP4_221_c_a:Ir-U +mp-862555,LiY2Al,-4.890863555,-0.2440033242,0.0,-0.0079769315,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Y,4.0,ABC2_cF16_225_a_b_c:Al-Li-Y +mp-1014462,Li2YAl,-3.42112492,0.0863482492,0.3005168707,0.3005168707,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Li-Y,4.0,AB2C_oI8_71_a_e_b:Al-Li-Y +mp-1185126,Li2YAl,-3.6996551525,-0.1921819833,0.0219866382,0.0219866382,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Li-Y,4.0,AB2C_cF16_225_a_c_b:Al-Li-Y +mp-1216468,V3Si2Mo3,-9.3090327512,-0.4791196762,0.0,-0.0992623725,GGA,R32,A3B2C3_hR24_155_d_c_e:Mo-Si-V,8.0,A3B2C3_hR24_155_d_c_e:Mo-Si-V +mp-1207805,VSi3Mo4,-9.0406020994,-0.4477945244,0.0,-0.021022344,GGA,I4/mcm,A4B3C_tI32_140_k_ah_b:Mo-Si-V,16.0,A4B3C_tI32_140_k_ah_b:Mo-Si-V +mp-1216278,VSi4Mo,-7.369804,-0.4313326167,0.0361758678,0.0361758678,GGA,P2,AB4C_mP18_3_2ac_6e_2bc:Mo-Si-V,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2c_12e_a2b:Mo-Si-V, expected VSi8Mo to be VSi4Mo" +mp-1207325,YbSBr,-3.44235132,-1.0326558277,1.0967981167,1.0967981167,GGA,Pmmm,ABC_oP6_47_i_i_i:Br-S-Yb,,ABC_oP6_47_i_i_i:Br-S-Yb +mp-1196341,Er4In5S13,-5.3632288177,-1.4630859923,0.0595843035,0.0595843035,GGA,Pbam,A4B5C13_oP44_55_2g_a2h_c2g4h:Er-In-S,44.0,A4B5C13_oP44_55_2g_a2h_c2g4h:Er-In-S +mp-1184780,IrC3,-8.3946270256,0.7364806387,0.7364806387,0.7364806387,GGA,Pnma,A3B_oP16_62_3c_c:C-Ir,16.0,A3B_oP16_62_3c_c:C-Ir +mp-1001827,IrC,-7.812826595,1.2207232412,1.2207232412,1.2207232412,GGA,P-6m2,AB_hP2_187_a_d:C-Ir,2.0,AB_hP2_187_a_d:C-Ir +mp-1001789,IrC,-8.501630495,0.5319193412000001,0.5319193412000001,0.5319193412000001,GGA,F-43m,AB_cF8_216_a_c:C-Ir,2.0,AB_cF8_216_a_c:C-Ir +mp-1017519,IrC,-7.36657988,1.6669699562,1.6669699562,1.6669699562,GGA,Pm-3m,AB_cP2_221_a_b:C-Ir,2.0,AB_cP2_221_a_b:C-Ir +mp-1001824,IrC,-7.60904457,1.4245052662,1.4245052662,1.4245052662,GGA,Fm-3m,AB_cF8_225_a_b:C-Ir,2.0,AB_cF8_225_a_b:C-Ir +mp-1197234,Ir4C5,-8.0225382378,1.0326911158,1.0326911158,1.0326911158,GGA,P-4c2,A5B4_tP36_116_e2j_ach2i:C-Ir,36.0,A5B4_tP36_116_e2j_ach2i:C-Ir +mp-1077889,IrC2,-7.8053629483,1.29322544,1.29322544,1.29322544,GGA,C2/m,A2B_mC12_12_2i_i:C-Ir,6.0,A2B_mC12_12_2i_i:C-Ir +mp-1191686,IrC2,-7.9234804175,1.1751079708,1.1751079708,1.1751079708,GGA,Cmce,A2B_oC48_64_2g_df:C-Ir,24.0,A2B_oC48_64_2g_df:C-Ir +mp-1009071,IrC2,-7.6436387167,1.4549496717,1.4549496717,1.4549496717,GGA,I4/mmm,A2B_tI6_139_e_a:C-Ir,3.0,A2B_tI6_139_e_a:C-Ir +mp-1077157,IrC2,-7.682038885,1.4165495033,1.4165495033,1.4165495033,GGA,I4/mcm,A2B_tI12_140_h_a:C-Ir,6.0,A2B_tI12_140_h_a:C-Ir +mp-1106149,Ir5C3,-8.2023513319,0.7824195903000001,0.7824195903000001,0.7824195903000001,GGA,Cmmm,A3B5_oC16_65_af_cp:C-Ir,16.0,A3B5_oC16_65_af_cp:C-Ir +mp-1221512,Mo2Ir2C,-9.269934334,0.4494324805,0.7127966745000001,0.7127966745000001,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Ir-Mo,5.0,AB2C2_hR15_166_a_c_c:C-Ir-Mo +mp-1079828,IrC4,-8.179167368,0.971451862,0.971451862,0.971451862,GGA,P2_1/c,A4B_mP10_14_2e_a:C-Ir,10.0,A4B_mP10_14_2e_a:C-Ir +mp-1198173,IrC4,-8.4287772362,0.7218419938,0.7218419938,0.7218419938,GGA,Pbca,A4B_oP40_61_4c_c:C-Ir,40.0,A4B_oP40_61_4c_c:C-Ir +mp-1080042,IrC4,-8.571970111,0.578649119,0.578649119,0.578649119,GGA,Ccce,A4B_oC20_68_i_a:C-Ir,10.0,A4B_oC20_68_i_a:C-Ir +mp-1079286,IrC4,-7.645568426,1.505050804,1.505050804,1.505050804,GGA,P4/mmm,A4B_tP5_123_l_d:C-Ir,5.0,A4B_tP5_123_l_d:C-Ir +mp-1104673,IrC4,-7.88107736,1.26954187,1.26954187,1.26954187,GGA,P3_121,A4B_hP15_152_2ac_b:C-Ir,15.0,A4B_hP15_152_2ac_b:C-Ir +mp-1190275,IrC4,-8.2273544865,0.9232647435,0.9232647435,0.9232647435,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:C-Ir,20.0,A4B_hP20_194_fi_bc:C-Ir +mp-1103889,Eu(AlS2)2,-6.6173652664,-1.7182291339,0.0,-0.0601385883,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Eu-S,14.0,A2BC4_oC28_66_l_a_kl:Al-Eu-S +mp-699208,Al2S3,-4.8436989737000005,-0.8635987215,0.4947454837,0.3587143661,GGA,P1,A2B3_aP30_1_12a_18a:Al-S,30.0,A2B3_aP30_1_12a_18a:Al-S +mp-988253,Al2S3,-3.2408882763,0.7392119758,2.097556181,1.9615250634,GGA,P1,A2B3_aP30_1_12a_18a:Al-S,30.0,A2B3_aP30_1_12a_18a:Al-S +mp-643430,Al2S3,-4.7925258280000005,-0.8124255759,0.5459186293,0.4098875118,GGA,P1,A2B3_aP30_1_12a_18a:Al-S,30.0,A2B3_aP30_1_12a_18a:Al-S +mp-1376661,Al2S3,-4.4077677277,-0.4276674755,0.9306767297,0.7946456121000001,GGA,P1,A2B3_aP30_1_12a_18a:Al-S,30.0,A2B3_aP30_1_12a_18a:Al-S +mp-1228491,Al2S3,-5.33165007,-1.3515498179,0.0067943873,-0.1292367303,GGA,Cc,A2B3_mC20_9_2a_3a:Al-S,10.0,A2B3_mC20_9_4a_6a:Al-S +mp-684638,Al2S3,-5.3331883645,-1.3530881124,0.0052560928,-0.1307750248,GGA,I4_1/amd,A2B3_tI80_141_ceh_3h:Al-S,40.0,"Invalid WP multiplicities - A2B3_tI80_141_2c3e5h_15h:Al-S, expected AlS2 to be Al2S3" +mp-684676,Al2S3,-5.201623379,-1.2215231269,0.1368210783,0.0007899607,GGA,P3m1,A2B3_hP120_156_6a7b8c9d_6a6b6c18d:Al-S,120.0,"Invalid WP multiplicities - A2B3_hP120_156_6a7b8c24d_6a6b6c50d:Al-S, expected Al31S56 to be Al2S3" +mp-1079029,Al2S3,-5.298075387,-1.3179751349,0.0403690703,-0.0956620473,GGA,R-3c,A2B3_hR30_167_c_e:Al-S,10.0,A2B3_hR30_167_c_e:Al-S +mp-2654,Al2S3,-5.3384444573,-1.3583442052,0.0,-0.1360311176,GGA,P6_1,A2B3_hP30_169_2a_3a:Al-S,30.0,"Invalid WP multiplicities - A2B3_hP30_169_7a_13a:Al-S, expected Al7S13 to be Al2S3" +mp-1184541,Eu3S,-9.53563875,-0.8087749333,0.394953265,0.394953265,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-S,8.0,A3B_hP8_194_h_c:Eu-S +mp-1184315,EuS3,-6.6672581950000005,-1.0006703448,0.297106393,0.297106393,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-S,4.0,AB3_tI8_139_a_bd:Eu-S +mp-1103738,Eu3S4,-8.9090696186,-2.1495260661,0.0,-0.0322499893,GGA,I-43d,A3B4_cI28_220_a_c:Eu-S,14.0,A3B4_cI28_220_a_c:Eu-S +mp-1228158,Al5S8,-5.2397681477,-1.2536544488,0.0524457485,0.0524457485,GGA,F-43m,A5B8_cF52_216_ae_2e:Al-S,13.0,A5B8_cF52_216_ae_2e:Al-S +mp-1072244,EuS,-9.444412645,-2.2476868116,0.159769585,-0.3668515037,GGA,I4/mmm,AB_tI12_139_ae_be:Eu-S,6.0,AB_tI12_139_ae_be:Eu-S +mp-1002210,EuS,-9.27070207,-2.0739762366,0.33348016,-0.1931409288,GGA,Pm-3m,AB_cP2_221_a_b:Eu-S,2.0,AB_cP2_221_a_b:Eu-S +mp-20587,EuS,-9.60418223,-2.4074563966,0.0,-0.5266210888,GGA,Fm-3m,AB_cF8_225_a_b:Eu-S,2.0,AB_cF8_225_a_b:Eu-S +mp-1106110,Eu2S3,-8.5101218535,-1.9254512134,0.098327728,0.098327728,GGA,Pnma,A2B3_oP20_62_2c_3c:Eu-S,20.0,A2B3_oP20_62_2c_3c:Eu-S +mp-1232155,EuS2,-7.9070028283,-1.7303689837,0.0,-0.0585153768,GGA,P2_1/c,AB2_mP12_14_e_2e:Eu-S,12.0,AB2_mP12_14_e_2e:Eu-S +mp-1232117,EuS2,-7.8389704783,-1.6623366338,0.06803235,0.0095169732,GGA,P4/nmm,AB2_tP6_129_c_ac:Eu-S,6.0,AB2_tP6_129_c_ac:Eu-S +mp-1232178,EuS2,-6.9297428633,-0.7531090188,0.977259965,0.9187445882,GGA,Fd-3m,AB2_cF24_227_a_d:Eu-S,6.0,AB2_cF24_227_a_d:Eu-S +mp-1179195,Si2O3,-7.304254349,-2.1661139103,0.7751149700000001,0.7751149700000001,GGA,C2/c,A3B2_mC100_15_e7f_5f:O-Si,50.0,A3B2_mC100_15_e7f_5f:O-Si +mp-862998,Si2O5,-7.31173409,-2.2282941448,0.5728762173,0.5728762173,GGA,Ima2,A5B2_oI28_46_a2c_c:O-Si,14.0,A5B2_oI28_46_a2c_c:O-Si +mp-32761,SiO,-7.2337889,-2.0477855294,0.4032385375,0.4032385375,GGA,P6_422,AB_hP12_181_i_f:O-Si,12.0,AB_hP12_181_i_f:O-Si +mp-1221354,Si48O107,-7.9464274901,-2.8515180866,0.1845891447,0.1845891447,GGA,Imm2,A107B48_oI310_44_2ab6c6d20e_12e:O-Si,155.0,"Invalid WP multiplicities - A107B48_oI310_44_2ab12c6d56e_36e:O-Si, expected Si144O263 to be Si48O107" +mp-1179275,Si4O9,-7.8674599848,-2.7735007139,0.2431442914,0.2431442914,GGA,I4_1/amd,A9B4_tI104_141_e2hi_gh:O-Si,52.0,A9B4_tI104_141_e2hi_gh:O-Si +mp-673849,Si6O13,-7.2814092411,-2.1835744291,0.9124559711,0.9124559711,GGA,Pm,A13B6_mP76_6_6a6b20c_12c:O-Si,76.0,"Invalid WP multiplicities - A13B6_mP76_6_6a6b23c_12c:O-Si, expected Si12O29 to be Si6O13" +mp-1173536,Si6O13,-7.3756251658,-2.2777903539,0.8182400464,0.8182400464,GGA,Pm,A13B6_mP76_6_6a6b20c_12c:O-Si,76.0,"Invalid WP multiplicities - A13B6_mP76_6_6a6b23c_12c:O-Si, expected Si12O29 to be Si6O13" +mp-731864,Si6O13,-7.9995899679,-2.901755156,0.1942752443,0.1942752443,GGA,C2/m,A13B6_mC76_12_ef5i3j_2i2j:O-Si,38.0,A13B6_mC76_12_ef5i3j_2i2j:O-Si +mp-530027,Si6O13,-7.8587748747,-2.7609400628,0.3350903374,0.3350903374,GGA,P6/mcc,A13B6_hP76_192_ej2kl_m:O-Si,76.0,"Invalid WP multiplicities - A13B6_hP76_192_3e4j12k6l_m:O-Si, expected Si2O23 to be Si6O13" +mp-1063118,Si2O,-6.10415095,-0.8383760262000001,0.7956400183,0.7956400183,GGA,Cm,AB2_mC6_8_a_2a:O-Si,3.0,AB2_mC6_8_a_2a:O-Si +mp-1208867,Si2O,-4.578354515,0.6874204088,2.3214364533,2.3214364533,GGA,Fd-3m,AB2_cF24_227_a_c:O-Si,6.0,AB2_cF24_227_a_c:O-Si +mp-1199711,Si18O29,-7.9451423318,-2.8151487751,0.2095192223,0.2095192223,GGA,P2/m,A29B18_mP188_10_ij4m6n23o_6m6n12o:O-Si,188.0,A29B18_mP188_10_il4m6n23o_6m6n12o:O-Si +mp-867185,Pu3O2,-12.681026483,-2.1416480005,0.187588039,0.187588039,GGA,R-3c,A2B3_hR30_167_c_e:O-Pu,10.0,A2B3_hR30_167_c_e:O-Pu +mp-867166,PuO2,-11.6147628383,-3.5610242542,0.089589065,-0.6494792048,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Pu,6.0,A2B_tP6_136_f_a:O-Pu +mp-1959,PuO2,-11.7043519033,-3.6506133192,0.0,-0.7390682698000001,GGA,Fm-3m,A2B_cF12_225_c_a:O-Pu,3.0,A2B_cF12_225_c_a:O-Pu +mp-936187,SiO4,-4.6679333727,0.3744812023,2.3353004558,2.3353004558,GGA,P1,A4B_aP15_1_12a_3a:O-Si,15.0,A4B_aP15_1_12a_3a:O-Si +mp-685105,SiO4,-6.204206068,-1.161791493,0.7990277605,0.7990277605,GGA,P1,A4B_aP15_1_12a_3a:O-Si,15.0,A4B_aP15_1_12a_3a:O-Si +mp-1391176,SiO4,-5.563840684,-0.5214261090000001,1.4393931445,1.4393931445,GGA,P1,A4B_aP15_1_12a_3a:O-Si,15.0,A4B_aP15_1_12a_3a:O-Si +mp-638900,Si3O7,-7.118120831,-2.0278433241,0.9133855561,0.9133855561,GGA,P1,A7B3_aP20_1_14a_6a:O-Si,20.0,A7B3_aP20_1_14a_6a:O-Si +mp-1250755,Si3O7,-7.4364562895,-2.3461787826,0.5950500976,0.5950500976,GGA,P1,A7B3_aP20_1_14a_6a:O-Si,20.0,A7B3_aP20_1_14a_6a:O-Si +mp-725556,Pu2SiO10,-8.9660402431,-2.5485108737,0.0,-0.1094511673,GGA,I4_1/amd,A10B2C_tI52_141_e2h_e_a:O-Pu-Si,26.0,A10B2C_tI52_141_e2h_e_a:O-Pu-Si +mp-1219669,Pu2O3,-12.067620194,-3.3924716352,0.101382424,-0.08118779,GGA,P-4m2,A3B2_tP5_115_abc_g:O-Pu,5.0,A3B2_tP5_115_abc_g:O-Pu +mp-21423,Pu2O3,-12.078000068,-3.4028515092,0.09100255,-0.091567664,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Pu,5.0,A3B2_hP5_164_ad_d:O-Pu +mp-637224,Pu2O3,-12.169002618,-3.4938540593000003,0.0,-0.182570214,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Pu,40.0,"Invalid WP multiplicities - A3B2_cI80_206_e_2a2d:O-Pu, expected Pu4O3 to be Pu2O3" +mp-33216,Pu2O3,-12.023357751,-3.3482091923,0.145644867,-0.036925347,GGA,Pn-3m,A3B2_cP10_224_d_b:O-Pu,10.0,A3B2_cP10_224_d_b:O-Pu +mp-1194828,Si17O37,-8.0173329892,-2.9199646776,0.1665100733,0.1665100733,GGA,C2/m,A37B17_mC216_12_eh7i14j_5i6j:O-Si,108.0,A37B17_mC216_12_eg7i14j_5i6j:O-Si +mp-1219421,Si3O8,-7.1831117814,-2.1058878014,0.5679566352000001,0.5679566352000001,GGA,P2_12_12_1,A8B3_oP44_19_8a_3a:O-Si,44.0,A8B3_oP44_19_8a_3a:O-Si +mp-806,PuO,-12.409553155,-2.8022896344,0.109255415,0.109255415,GGA,Fm-3m,AB_cF8_225_a_b:O-Pu,2.0,AB_cF8_225_a_b:O-Pu +mp-733790,SiO2,-8.3714228651,-3.2651910476,0.0028410415,-0.3737023667,GGA,P1,A2B_aP72_1_48a_24a:O-Si,72.0,A2B_aP72_1_48a_24a:O-Si +mp-6922,SiO2,-8.36157446,-3.2553426425,0.0126894467,-0.3638539616,GGA,P6_222,A2B_hP9_180_i_d:O-Si,9.0,A2B_hP9_180_i_d:O-Si +mp-685184,SiO2,-7.9745452359,-2.8683134184,0.3997186708,0.0231752626,GGA,P1,A2B_aP90_1_60a_30a:O-Si,90.0,A2B_aP90_1_60a_30a:O-Si +mp-556985,SiO2,-8.3300559758,-3.2238241583,0.0442079308,-0.3323354774,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-556994,SiO2,-8.2915639317,-3.1853321142,0.082699975,-0.2938434332,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-557004,SiO2,-8.3605193694,-3.2542875519,0.0137445372,-0.362798871,GGA,P1,A2B_aP36_1_24a_12a:O-Si,36.0,A2B_aP36_1_24a_12a:O-Si +mp-557873,SiO2,-8.3143883783,-3.2081565608,0.0598755283,-0.3166678799,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-663422,SiO2,-8.1639782842,-3.0577464667,0.2102856225,-0.1662577857,GGA,P1,A2B_aP24_1_16a_8a:O-Si,24.0,A2B_aP24_1_16a_8a:O-Si +mp-556788,SiO2,-8.1328629025,-3.026631085,0.2414010042,-0.1351424041,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-556880,SiO2,-8.2283166,-3.1220847825,0.1459473067,-0.2305961016,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-556588,SiO2,-8.0710595183,-2.9648277008,0.3032043883,-0.0733390199,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-556319,SiO2,-8.2521379142,-3.1459060967,0.1221259925,-0.2544174157,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-1398433,SiO2,-3.71263648,1.3935953375,4.6616274267,4.2850840184,GGA,P1,A2B_aP12_1_8a_4a:O-Si,12.0,A2B_aP12_1_8a_4a:O-Si +mp-1244945,SiO2,-8.2590205833,-3.1527887658,0.1152433233,-0.2613000849,GGA,P1,A2B_aP90_1_60a_30a:O-Si,90.0,A2B_aP90_1_60a_30a:O-Si +mp-1244965,SiO2,-8.1965386898,-3.0903068723,0.1777252169,-0.1988181914,GGA,P1,A2B_aP102_1_68a_34a:O-Si,102.0,A2B_aP102_1_68a_34a:O-Si +mp-1244968,SiO2,-8.1278137109,-3.0215818934,0.2464501958,-0.1300932124,GGA,P1,A2B_aP102_1_68a_34a:O-Si,102.0,A2B_aP102_1_68a_34a:O-Si +mp-1245026,SiO2,-8.2156320272,-3.1094002097,0.1586318795,-0.2179115287,GGA,P1,A2B_aP102_1_68a_34a:O-Si,102.0,A2B_aP102_1_68a_34a:O-Si +mp-683947,SiO2,-8.2376532604,-3.1314214429,0.1366106462,-0.239932762,GGA,P-1,A2B_aP24_2_8i_4i:O-Si,24.0,"Invalid WP multiplicities - A2B_aP24_2_15i_7i:O-Si, expected Si7O15 to be SiO2" +mp-555960,SiO2,-8.1177310652,-3.0114992477,0.2565328415,-0.1200105668,GGA,P-1,A2B_aP48_2_16i_8i:O-Si,48.0,"Invalid WP multiplicities - A2B_aP48_2_31i_16i:O-Si, expected Si16O31 to be SiO2" +mp-556469,SiO2,-8.3625795094,-3.2563476919,0.0116843973,-0.3648590109,GGA,P-1,A2B_aP48_2_16i_8i:O-Si,48.0,"Invalid WP multiplicities - A2B_aP48_2_31i_15i:O-Si, expected Si15O31 to be SiO2" +mp-556262,SiO2,-8.3592722825,-3.253040465,0.0149916242,-0.3615517841,GGA,P-1,A2B_aP48_2_16i_8i:O-Si,48.0,"Invalid WP multiplicities - A2B_aP48_2_30i_16i:O-Si, expected Si8O15 to be SiO2" +mp-1204070,SiO2,-8.0804367943,-2.9742049768000003,0.2938271124,-0.0827162958,GGA,P-1,A2B_aP54_2_18i_9i:O-Si,54.0,"Invalid WP multiplicities - A2B_aP54_2_35i_18i:O-Si, expected Si18O35 to be SiO2" +mp-1249969,SiO2,-8.3557920725,-3.249560255,0.0184718342,-0.3580715741,GGA,P-1,A2B_aP60_2_20i_10i:O-Si,60.0,A2B_aP60_2_20i_10i:O-Si +mp-556376,SiO2,-7.9508857658,-2.8446539483,0.4233781408,0.0468347326,GGA,P2,A2B_mP12_3_ad3e_2e:O-Si,12.0,A2B_mP12_3_ac5e_3e:O-Si +mp-1258196,SiO2,-8.3675588025,-3.261326985,0.0067051042,-0.369838304,GGA,P2,A2B_mP102_3_2a2b2c31e_17e:O-Si,102.0,A2B_aP102_1_68a_34a:O-Si +mp-972808,SiO2,-8.3695217908,-3.2632899733,0.0047421158,-0.3718012924,GGA,P2_1,A2B_mP12_4_4a_2a:O-Si,12.0,A2B_mP12_4_8a_4a:O-Si +mp-555891,SiO2,-8.3664359317,-3.2602041142,0.007827975,-0.3687154332,GGA,P2_1,A2B_mP12_4_4a_2a:O-Si,12.0,"Invalid WP multiplicities - A2B_mP12_4_7a_2a:O-Si, expected Si2O7 to be SiO2" +mp-673168,SiO2,-7.6935263356,-2.5872945181,0.6807375711,0.3041941629,GGA,C2,A2B_mC18_5_3c_ac:O-Si,9.0,"Invalid WP multiplicities - A2B_mC18_5_6c_a2c:O-Si, expected Si5O12 to be SiO2" +mp-557134,SiO2,-8.2890307525,-3.182798935,0.0852331542,-0.2913102541,GGA,C2,A2B_mC24_5_ab3c_2c:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_5_ab4c_3c:O-Si, expected Si3O5 to be SiO2" +mp-556553,SiO2,-8.2823970117,-3.1761651942,0.091866895,-0.2846765132,GGA,C2,A2B_mC24_5_4c_2c:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_5_7c_4c:O-Si, expected Si4O7 to be SiO2" +mp-556662,SiO2,-8.3039967667,-3.1977649492,0.07026714,-0.3062762682,GGA,C2,A2B_mC24_5_ab3c_2c:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_5_ab6c_2c:O-Si, expected Si2O7 to be SiO2" +mp-557653,SiO2,-8.0772712025,-2.971039385,0.2969927042,-0.0795507041,GGA,Pm,A2B_mP12_6_2a2b2c_2a2b:O-Si,12.0,"Invalid WP multiplicities - A2B_mP12_6_2a2b4c_2a2b:O-Si, expected SiO3 to be SiO2" +mp-553881,SiO2,-8.0140438592,-2.9078120417,0.3602200475,-0.0163233607,GGA,Pc,A2B_mP12_7_4a_2a:O-Si,12.0,A2B_mP12_7_6a_3a:O-Si +mp-557881,SiO2,-8.3612626928,-3.2550308753,0.0130012139,-0.3635421943,GGA,Cm,A2B_mC72_8_4a10b_6b:O-Si,36.0,"Invalid WP multiplicities - A2B_mC72_8_4a18b_11b:O-Si, expected Si11O20 to be SiO2" +mp-640556,SiO2,-8.3712140471,-3.2649822296,0.0030498596,-0.3734935486,GGA,Cc,A2B_mC144_9_24a_12a:O-Si,72.0,"Invalid WP multiplicities - A2B_mC144_9_46a_24a:O-Si, expected Si12O23 to be SiO2" +mp-555147,SiO2,-8.2853064108,-3.1790745933,0.0889574958,-0.2875859124,GGA,Cc,A2B_mC24_9_4a_2a:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_9_8a_3a:O-Si, expected Si3O8 to be SiO2" +mp-555235,SiO2,-8.3709063617,-3.2646745442,0.003357545,-0.3731858632,GGA,Cc,A2B_mC24_9_4a_2a:O-Si,12.0,A2B_mC24_9_8a_4a:O-Si +mp-560708,SiO2,-8.3645606625,-3.258328845,0.0097032442,-0.3668401641,GGA,P2/m,A2B_mP84_10_i3m4n10o_7o:O-Si,84.0,"Invalid WP multiplicities - A2B_mP84_10_2i5m8n36o_26o:O-Si, expected Si52O87 to be SiO2" +mp-557894,SiO2,-8.3583956285,-3.252163811,0.0158682781,-0.3606751301,GGA,P2_1/m,A2B_mP96_11_2e15f_8f:O-Si,96.0,"Invalid WP multiplicities - A2B_mP96_11_4e56f_32f:O-Si, expected Si16O29 to be SiO2" +mp-559360,SiO2,-8.3647534018,-3.2585215843,0.0095105049,-0.3670329034,GGA,P2_1/m,A2B_mP72_11_2e11f_6f:O-Si,72.0,"Invalid WP multiplicities - A2B_mP72_11_4e40f_23f:O-Si, expected Si23O42 to be SiO2" +mp-662706,SiO2,-8.3648797,-3.2586478825,0.0093842067,-0.3671592016,GGA,C2/m,A2B_mC168_12_e7i10j_7j:O-Si,84.0,"Invalid WP multiplicities - A2B_mC168_12_2e13i39j_23j:O-Si, expected Si46O93 to be SiO2" +mp-667383,SiO2,-8.3657964237,-3.2595646062,0.008467483,-0.3680759253,GGA,C2/m,A2B_mC168_12_e7i10j_7j:O-Si,84.0,"Invalid WP multiplicities - A2B_mC168_12_2e14i37j_27j:O-Si, expected Si3O5 to be SiO2" +mp-615993,SiO2,-8.362268064,-3.2560362465,0.0119958426,-0.3645475656,GGA,C2/m,A2B_mC84_12_e7i3j_7i:O-Si,42.0,"Invalid WP multiplicities - A2B_mC84_12_2e14i9j_11i:O-Si, expected Si11O34 to be SiO2" +mp-680204,SiO2,-8.3613669412,-3.2551351237,0.0128969655,-0.3636464428,GGA,C2/m,A2B_mC132_12_3gi9j_h5j:O-Si,66.0,"Invalid WP multiplicities - A2B_mC132_12_6g2i33j_2h16j:O-Si, expected Si17O37 to be SiO2" +mp-558301,SiO2,-8.1673768769,-3.0611450594,0.2068870298,-0.1696563784,GGA,C2/m,A2B_mC96_12_4i6j_2i3j:O-Si,48.0,"Invalid WP multiplicities - A2B_mC96_12_8i22j_4i10j:O-Si, expected Si6O13 to be SiO2" +mp-558351,SiO2,-8.3616640311,-3.2554322136,0.0125998756,-0.3639435327,GGA,C2/m,A2B_mC72_12_eg2i4j_3j:O-Si,36.0,"Invalid WP multiplicities - A2B_mC72_12_2e2h4i16j_11j:O-Si, expected Si11O20 to be SiO2" +mp-558564,SiO2,-8.3105691183,-3.2043373008,0.0636947883,-0.3128486199,GGA,C2/m,A2B_mC72_12_2ghi4j_3j:O-Si,36.0,"Invalid WP multiplicities - A2B_mC72_12_2g4h2i14j_10j:O-Si, expected Si5O9 to be SiO2" +mp-17279,SiO2,-8.3594061756,-3.2531743581,0.014857731,-0.3616856772,GGA,C2/m,A2B_mC96_12_g3i6j_4j:O-Si,48.0,A2B_mC96_12_g3i6j_4j:O-Si +mp-18280,SiO2,-8.3658258039,-3.2595939864,0.0084381028,-0.3681053054,GGA,C2/m,A2B_mC72_12_gh2i4j_3j:O-Si,36.0,A2B_mC72_12_gh2i4j_3j:O-Si +mp-34150,SiO2,-8.0329374106,-2.9267055931,0.341326496,-0.0352169122,GGA,C2/m,A2B_mC96_12_2ghi6j_4j:O-Si,48.0,"Invalid WP multiplicities - A2B_mC96_12_2g4h2i23j_13j:O-Si, expected Si13O27 to be SiO2" +mp-1179488,SiO2,-7.279516081,-2.1732842635,1.0947478257,0.7182044175000001,GGA,C2/m,A2B_mC168_12_g7i10j_7j:O-Si,84.0,"Invalid WP multiplicities - A2B_mC168_12_2g14i37j_21j:O-Si, expected Si7O15 to be SiO2" +mp-1199998,SiO2,-8.3534632998,-3.2472314823,0.0208006068,-0.3557428014,GGA,C2/m,A2B_mC228_12_e7i15j_5i7j:O-Si,114.0,A2B_mC228_12_e7i15j_5i7j:O-Si +mp-1248957,SiO2,-8.3583314285,-3.252099611,0.0159324781,-0.3606109301,GGA,C2/m,A2B_mC96_12_gh2i6j_2i3j:O-Si,96.0,A2B_mC96_12_gh2i6j_2i3j:O-Si +mp-1249637,SiO2,-8.3598501426,-3.2536183251,0.0144137641,-0.3621296441,GGA,C2/m,A2B_mC168_12_g5i11j_7j:O-Si,168.0,A2B_mC168_12_g5i11j_7j:O-Si +mp-545488,SiO2,-7.6767493375,-2.57051752,0.6975145692,0.3209711609,GGA,P2/c,A2B_mP12_13_abcf_g:O-Si,12.0,"Invalid WP multiplicities - A2B_mP12_13_2a2b2c2f_g:O-Si, expected SiO4 to be SiO2" +mp-560155,SiO2,-8.3538220315,-3.247590214,0.0204418752,-0.356101533,GGA,P2/c,A2B_mP54_13_af8g_e4g:O-Si,54.0,"Invalid WP multiplicities - A2B_mP54_13_2a2f28g_2e13g:O-Si, expected Si7O15 to be SiO2" +mp-669426,SiO2,-8.3692843479,-3.2630525304,0.0049795587,-0.3715638495,GGA,P2_1/c,A2B_mP24_14_4e_2e:O-Si,24.0,"Invalid WP multiplicities - A2B_mP24_14_14e_5e:O-Si, expected Si5O14 to be SiO2" +mp-32667,SiO2,-8.13303279,-3.0268009725,0.2412311167,-0.1353122916,GGA,P2_1/c,A2B_mP18_14_3e_ae:O-Si,18.0,"Invalid WP multiplicities - A2B_mP18_14_9e_2a3e:O-Si, expected Si4O9 to be SiO2" +mp-985570,SiO2,-8.3650228662,-3.2587910488,0.0092410404,-0.3673023678,GGA,P2_1/c,A2B_mP24_14_4e_2e:O-Si,24.0,A2B_mP24_14_12e_6e:O-Si +mp-556882,SiO2,-8.3528764125,-3.246644595,0.0213874942,-0.3551559141,GGA,P2_1/c,A2B_mP48_14_ab7e_4e:O-Si,48.0,"Invalid WP multiplicities - A2B_mP48_14_2a2d23e_13e:O-Si, expected Si13O25 to be SiO2" +mp-556654,SiO2,-8.3665390983,-3.2603072808,0.0077248083,-0.3688185999,GGA,P2_1/c,A2B_mP72_14_12e_6e:O-Si,72.0,"Invalid WP multiplicities - A2B_mP72_14_47e_21e:O-Si, expected Si21O47 to be SiO2" +mp-1200292,SiO2,-8.3639884112,-3.2577565937,0.0102754955,-0.3662679128,GGA,P2_1/c,A2B_mP288_14_48e_24e:O-Si,288.0,A2B_mP288_14_48e_24e:O-Si +mp-1201738,SiO2,-8.3283584546,-3.2221266371,0.0459054521,-0.3306379561,GGA,P2_1/c,A2B_mP96_14_16e_8e:O-Si,96.0,A2B_mP96_14_16e_8e:O-Si +mp-1268079,SiO2,-8.3593878387,-3.2531560212,0.014876068,-0.3616673403,GGA,P2_1/c,A2B_mP192_14_32e_16e:O-Si,192.0,A2B_mP192_14_32e_16e:O-Si +mp-12787,SiO2,-8.3638929261,-3.2576611086,0.0103709806,-0.3661724277,GGA,C2/c,A2B_mC36_15_3f_ef:O-Si,18.0,"Invalid WP multiplicities - A2B_mC36_15_4f_ef:O-Si, expected Si3O8 to be SiO2" +mp-646895,SiO2,-8.3600086311,-3.2537768136,0.0142552755,-0.3622881327,GGA,C2/c,A2B_mC192_15_2e15f_8f:O-Si,96.0,"Invalid WP multiplicities - A2B_mC192_15_4e56f_30f:O-Si, expected Si15O29 to be SiO2" +mp-651707,SiO2,-8.362870509,-3.2566386915,0.0113933976,-0.3651500106,GGA,C2/c,A2B_mC168_15_14f_7f:O-Si,84.0,"Invalid WP multiplicities - A2B_mC168_15_55f_23f:O-Si, expected Si23O55 to be SiO2" +mp-11684,SiO2,-8.3337915254,-3.2275597079,0.0404723812,-0.336071027,GGA,C2/c,A2B_mC48_15_ce3f_2f:O-Si,24.0,A2B_mC48_15_ae3f_2f:O-Si +mp-558733,SiO2,-8.1162199544,-3.0099881369,0.2580439522,-0.118499456,GGA,C2/c,A2B_mC36_15_3f_ef:O-Si,18.0,"Invalid WP multiplicities - A2B_mC36_15_10f_2e3f:O-Si, expected Si2O5 to be SiO2" +mp-557837,SiO2,-8.3681034433,-3.2618716258,0.0061604633,-0.3703829449,GGA,C2/c,A2B_mC24_15_cef_f:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_15_ce2f_f:O-Si, expected SiO3 to be SiO2" +mp-562490,SiO2,-8.3644684433,-3.2582366258,0.0097954633,-0.3667479449,GGA,C2/c,A2B_mC24_15_cef_f:O-Si,12.0,"Invalid WP multiplicities - A2B_mC24_15_ce2f_f:O-Si, expected SiO3 to be SiO2" +mp-560064,SiO2,-8.3599076553,-3.2536758378,0.0143562514,-0.3621871569,GGA,C2/c,A2B_mC192_15_16f_2e7f:O-Si,96.0,"Invalid WP multiplicities - A2B_mC192_15_61f_4e27f:O-Si, expected Si29O61 to be SiO2" +mp-542814,SiO2,-8.3698498238,-3.2636180063,0.0044140829,-0.3721293253,GGA,P2_12_12_1,A2B_oP72_19_12a_6a:O-Si,72.0,A2B_oP72_19_12a_6a:O-Si +mp-556961,SiO2,-8.3690300979,-3.2627982804,0.0052338087,-0.3713095995,GGA,P2_12_12_1,A2B_oP24_19_4a_2a:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_19_14a_6a:O-Si, expected Si3O7 to be SiO2" +mp-600049,SiO2,-8.3416659198,-3.2354341023,0.0325979869,-0.3439454214,GGA,C222_1,A2B_oC96_20_8c_ab3c:O-Si,48.0,A2B_oC96_20_8c_ab3c:O-Si +mp-557118,SiO2,-8.3542133875,-3.24798157,0.0200505192,-0.3564928891,GGA,C222_1,A2B_oC24_20_abc_c:O-Si,12.0,"Invalid WP multiplicities - A2B_oC24_20_2a2b2c_c:O-Si, expected SiO4 to be SiO2" +mp-7648,SiO2,-8.3668051775,-3.26057336,0.0074587292,-0.3690846791,GGA,C222_1,A2B_oC24_20_abc_c:O-Si,12.0,A2B_oC24_20_abc_c:O-Si +mp-556454,SiO2,-8.3659966281,-3.2597648106,0.0082672785,-0.3682761297,GGA,C222,A2B_oC96_21_2ehk6l_4l:O-Si,48.0,"Invalid WP multiplicities - A2B_oC96_21_2e4h2k23l_8l:O-Si, expected Si8O27 to be SiO2" +mp-1200685,SiO2,-8.2732951781,-3.1670633606,0.1009687285,-0.2755746797,GGA,C222,A2B_oC96_21_2k7l_efij2l:O-Si,48.0,"Invalid WP multiplicities - A2B_oC96_68_c2h6i_2egi:O-Si, expected SiO3 to be SiO2" +mp-639506,SiO2,-8.3610051508,-3.2547733333,0.0132587558,-0.3632846524,GGA,I2_12_12_1,A2B_oI72_24_2a3bc3d_3d:O-Si,36.0,A2B_oI72_24_2a3bc3d_3d:O-Si +mp-557244,SiO2,-8.1973741433,-3.0911423258,0.1768897633,-0.1996536449,GGA,I2_12_12_1,A2B_oI24_24_abd_2c:O-Si,12.0,"Invalid WP multiplicities - A2B_oI24_24_2ab2d_3c:O-Si, expected Si3O7 to be SiO2" +mp-639733,SiO2,-8.3566957106,-3.2504638931,0.0175681961,-0.3589752121,GGA,Pca2_1,A2B_oP72_29_12a_6a:O-Si,72.0,A2B_oP72_29_12a_6a:O-Si +mp-553945,SiO2,-8.3628451224,-3.2566133049,0.0114187843,-0.365124624,GGA,Pmn2_1,A2B_oP96_31_6a13b_4a6b:O-Si,96.0,"Invalid WP multiplicities - A2B_oP96_31_12a52b_8a24b:O-Si, expected Si14O29 to be SiO2" +mp-554089,SiO2,-8.3716708967,-3.2654390792,0.00259301,-0.3739503982,GGA,Pna2_1,A2B_oP12_33_2a_a:O-Si,12.0,"Invalid WP multiplicities - A2B_oP12_33_4a_a:O-Si, expected SiO4 to be SiO2" +mp-557264,SiO2,-8.3687120604,-3.2624802429,0.0055518462,-0.370991562,GGA,Cmc2_1,A2B_oC48_36_2a3b_2b:O-Si,24.0,"Invalid WP multiplicities - A2B_oC48_36_4a9b_4b:O-Si, expected Si4O11 to be SiO2" +mp-16964,SiO2,-8.3665793239,-3.2603475064,0.0076845828,-0.3688588254,GGA,Cmc2_1,A2B_oC72_36_2a5b_2a2b:O-Si,36.0,"Invalid WP multiplicities - A2B_oC72_36_2a6b_2a2b:O-Si, expected Si3O7 to be SiO2" +mp-556218,SiO2,-8.3661335767,-3.2599017592,0.00813033,-0.3684130782,GGA,Cmc2_1,A2B_oC72_36_2a5b_2a2b:O-Si,36.0,"Invalid WP multiplicities - A2B_oC72_36_4a19b_4a6b:O-Si, expected Si8O21 to be SiO2" +mp-600055,SiO2,-8.3613790544,-3.2551472369,0.0128848523,-0.363658556,GGA,Amm2,A2B_oC168_38_4a4c2d2e9f_2c2d5f:O-Si,84.0,A2B_oC168_38_4a4c2d2e9f_2c2d5f:O-Si +mp-561181,SiO2,-8.3588681863,-3.2526363688,0.0153957204,-0.3611476879,GGA,Amm2,A2B_oC168_38_2a2c3d2e10f_2d6f:O-Si,84.0,"Invalid WP multiplicities - A2B_oC168_38_2a4c6d4e37f_4d22f:O-Si, expected Si48O89 to be SiO2" +mp-554573,SiO2,-8.3728740342,-3.2666422167,0.0013898725,-0.3751535357,GGA,Ama2,A2B_oC24_40_abc_c:O-Si,12.0,"Invalid WP multiplicities - A2B_oC24_40_2a2b4c_c:O-Si, expected SiO6 to be SiO2" +mp-600071,SiO2,-8.3607996767,-3.2545678592,0.01346423,-0.3630791782,GGA,Fmm2,A2B_oF144_42_2b3cd3e_3e:O-Si,36.0,A2B_oF144_42_2b3cd3e_3e:O-Si +mp-600091,SiO2,-8.3616434783,-3.2554116608,0.0126204283,-0.3639229799,GGA,Imm2,A2B_oI108_44_ab2c5d5e_ab2c2d2e:O-Si,54.0,A2B_oI108_44_ab2c5d5e_ab2c2d2e:O-Si +mp-554946,SiO2,-8.3628468561,-3.2566150386,0.0114170506,-0.3651263577,GGA,Imm2,A2B_oI288_44_4c4d20e_12e:O-Si,144.0,"Invalid WP multiplicities - A2B_oI288_44_8c8d78e_47e:O-Si, expected Si47O86 to be SiO2" +mp-555251,SiO2,-8.3635076817,-3.2572758642,0.010756225,-0.3657871832,GGA,Ima2,A2B_oI24_46_abc_c:O-Si,12.0,"Invalid WP multiplicities - A2B_oI24_46_2ab3c_c:O-Si, expected Si2O9 to be SiO2" +mp-683970,SiO2,-8.2433562503,-3.1371244328,0.1309076564,-0.2456357519,GGA,Pmmm,A2B_oP192_47_10Aikmouw6y2z_6A4y:O-Si,192.0,"Invalid WP multiplicities - A2B_oP192_47_77A2i2k2m2o4u4w23y8z_39A15y:O-Si, expected Si93O197 to be SiO2" +mp-1205213,SiO2,-8.3025222957,-3.1962904782,0.0717416109,-0.3048017973,GGA,Pmmm,A2B_oP216_47_12Aijkl2uv2w2x2yz_6A3w3x:O-Si,216.0,A2B_oP216_47_12Aijkl2uv2w2x2yz_6A3w3x:O-Si +mp-555676,SiO2,-8.1253371896,-3.0191053721,0.2489267171,-0.1276166911,GGA,Pnnn,A2B_oP24_48_eghi_m:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_48_3e4g4h4i_m:O-Si, expected Si2O15 to be SiO2" +mp-558366,SiO2,-7.5882685004,-2.4820366829,0.7859954062000001,0.409451998,GGA,Pban,A2B_oP24_50_eghi_m:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_50_3e4g4h4i_m:O-Si, expected Si2O15 to be SiO2" +mp-600007,SiO2,-8.36134393,-3.2551121125,0.0129199767,-0.3636234316,GGA,Pmma,A2B_oP36_51_aehjkl_il:O-Si,36.0,A2B_oP36_51_aehjkl_il:O-Si +mp-600038,SiO2,-8.348931941,-3.2427001235,0.0253319657,-0.3512114426,GGA,Pmma,A2B_oP30_51_afikl_eik:O-Si,30.0,A2B_oP30_51_afikl_eik:O-Si +mp-600061,SiO2,-8.3592262496,-3.2529944321,0.0150376571,-0.3615057511,GGA,Pmma,A2B_oP72_51_aei2j4l_2i2l:O-Si,72.0,A2B_oP72_51_aei2j4l_2i2l:O-Si +mp-639463,SiO2,-8.3640857656,-3.2578539481,0.0101781411,-0.3663652671,GGA,Pmma,A2B_oP18_51_afhk_ek:O-Si,18.0,A2B_oP18_51_afhk_ek:O-Si +mp-639695,SiO2,-8.3586361542,-3.2524043367,0.0156277525,-0.3609156557,GGA,Pmma,A2B_oP48_51_aeijk2l_2il:O-Si,48.0,A2B_oP48_51_aeijk2l_2il:O-Si +mp-600050,SiO2,-8.3098179096,-3.2035860921,0.0644459971,-0.3120974111,GGA,Pmna,A2B_oP72_53_efgh4i_3i:O-Si,72.0,A2B_oP72_53_efgh4i_3i:O-Si +mp-667373,SiO2,-8.3632300927,-3.2569982752,0.011033814,-0.3655095942,GGA,Pmna,A2B_oP168_53_e2g7h9i_7i:O-Si,168.0,"Invalid WP multiplicities - A2B_oP168_53_4e8g28h68i_48i:O-Si, expected Si6O11 to be SiO2" +mp-554397,SiO2,-7.7166578638,-2.6104260462,0.6576060429,0.2810626347,GGA,Pcca,A2B_oP24_54_abcd_f:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_54_3a4b4c3d_f:O-Si, expected SiO7 to be SiO2" +mp-556132,SiO2,-8.1831280317,-3.0768962142,0.191135875,-0.1854075332,GGA,Pcca,A2B_oP24_54_acde_f:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_54_3a3c3d2e_f:O-Si, expected Si2O11 to be SiO2" +mp-557465,SiO2,-8.3550136717,-3.2487818542,0.019250235,-0.3572931732,GGA,Pccn,A2B_oP24_56_ace_e:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_56_3a3c4e_e:O-Si, expected SiO7 to be SiO2" +mp-600070,SiO2,-8.3568609745,-3.250629157,0.0174029322,-0.359140476,GGA,Pbcm,A2B_oP96_57_cd7e_4e:O-Si,96.0,A2B_oP96_57_cd7e_4e:O-Si +mp-667371,SiO2,-8.362254853,-3.2560230355,0.0120090536,-0.3645343546,GGA,Pbcm,A2B_oP168_57_a2c7d9e_7e:O-Si,168.0,"Invalid WP multiplicities - A2B_oP168_57_4a8c28d65e_51e:O-Si, expected Si3O5 to be SiO2" +mp-600026,SiO2,-8.3247770564,-3.2185452389,0.0494868503,-0.3270565579,GGA,Pnnm,A2B_oP36_58_ace2h_gh:O-Si,36.0,A2B_oP36_58_ace2h_gh:O-Si +mp-558025,SiO2,-8.3624795022,-3.2562476847,0.0117844044,-0.3647590038,GGA,Pnnm,A2B_oP108_58_eg8h_f4h:O-Si,108.0,"Invalid WP multiplicities - A2B_oP108_58_4e4g58h_4f26h:O-Si, expected Si14O31 to be SiO2" +mp-985590,SiO2,-8.3704303208,-3.2641985033,0.0038335858,-0.3727098224,GGA,Pnnm,A2B_oP24_58_egh_h:O-Si,24.0,"Invalid WP multiplicities - A2B_oP24_58_4e3g4h_h:O-Si, expected Si2O15 to be SiO2" +mp-600053,SiO2,-8.3575565807,-3.2513247632,0.016707326,-0.3598360823,GGA,Pmmn,A2B_oP84_59_7ef3g_ab6e:O-Si,84.0,A2B_oP84_59_7ef3g_ab6e:O-Si +mp-600022,SiO2,-8.3581418342,-3.2519100167,0.0161220725,-0.3604213357,GGA,Pmmn,A2B_oP96_59_3ef6g_4g:O-Si,96.0,A2B_oP96_59_3ef6g_4g:O-Si +mp-600083,SiO2,-8.3596128576,-3.2533810401,0.0146510491,-0.3618923592,GGA,Pmmn,A2B_oP180_59_2a2bc8ef9g_5e5g:O-Si,180.0,A2B_oP180_59_2a2bc8ef9g_5e5g:O-Si +mp-561351,SiO2,-8.3621852249,-3.2559534074,0.0120786818,-0.3644647264,GGA,Pmmn,A2B_oP72_59_c6ef2g_ab5e:O-Si,72.0,"Invalid WP multiplicities - A2B_oP72_59_3c22e4f14g_2a2b19e:O-Si, expected Si7O19 to be SiO2" +mp-10948,SiO2,-8.1200722467,-3.0138404292,0.25419166,-0.1223517482,GGA,Pbcn,A2B_oP12_60_d_c:O-Si,12.0,A2B_oP12_60_d_c:O-Si +mp-639748,SiO2,-8.3426478388,-3.2364160213,0.0316160679,-0.3449273404,GGA,Pbcn,A2B_oP108_60_9d_c4d:O-Si,108.0,A2B_oP108_60_9d_c4d:O-Si +mp-560203,SiO2,-8.3303654922,-3.2241336747,0.0438984144,-0.3326449938,GGA,Pbcn,A2B_oP36_60_3d_cd:O-Si,36.0,"Invalid WP multiplicities - A2B_oP36_60_15d_3c3d:O-Si, expected Si3O10 to be SiO2" +mp-600014,SiO2,-8.3635209535,-3.257289136,0.0107429532,-0.365800455,GGA,Pnma,A2B_oP72_62_2c5d_3d:O-Si,72.0,A2B_oP72_62_2c5d_3d:O-Si +mp-600024,SiO2,-8.3558606354,-3.2496288179,0.0184032712,-0.358140137,GGA,Pnma,A2B_oP96_62_2c7d_4d:O-Si,96.0,A2B_oP96_62_2c7d_4d:O-Si +mp-600060,SiO2,-8.3624559253,-3.2562241078,0.0118079813,-0.3647354269,GGA,Pnma,A2B_oP144_62_4c10d_6d:O-Si,144.0,A2B_oP144_62_4c10d_6d:O-Si +mp-1195265,SiO2,-8.3622595299,-3.2560277124,0.0120043767,-0.3645390315,GGA,Pnma,A2B_oP288_62_4c22d_12d:O-Si,288.0,A2B_oP288_62_4c22d_12d:O-Si +mp-600004,SiO2,-8.362613595,-3.2563817775,0.0116503117,-0.3648930966,GGA,Cmcm,A2B_oC36_63_acdg_cg:O-Si,18.0,A2B_oC36_63_acdg_cg:O-Si +mp-600027,SiO2,-8.362768515,-3.2565366975,0.0114953917,-0.3650480166,GGA,Cmcm,A2B_oC72_63_2ce2gh_3g:O-Si,36.0,A2B_oC72_63_2ce2gh_3g:O-Si +mp-600029,SiO2,-8.3631270419,-3.2568952244,0.0111368647,-0.3654065435,GGA,Cmcm,A2B_oC72_63_acd2fh_3f:O-Si,36.0,A2B_oC72_63_acd2fh_3f:O-Si +mp-600032,SiO2,-8.3618058699,-3.2555740524,0.0124580368,-0.3640853714,GGA,Cmcm,A2B_oC144_63_e2fg4h_3h:O-Si,72.0,A2B_oC144_63_e2fg4h_3h:O-Si +mp-600052,SiO2,-8.3642651725,-3.258033355,0.0099987342,-0.3665446741,GGA,Cmcm,A2B_oC120_63_a3cfg3h_3fh:O-Si,60.0,A2B_oC120_63_a3cfg3h_3fh:O-Si +mp-600063,SiO2,-8.3625864997,-3.2563546822,0.0116774069,-0.3648660013,GGA,Cmcm,A2B_oC144_63_2cde3g3h_2g2h:O-Si,72.0,A2B_oC144_63_2cde3g3h_2g2h:O-Si +mp-600039,SiO2,-8.3397347878,-3.2335029703,0.0345291189,-0.3420142893,GGA,Cmcm,A2B_oC72_63_acdegh_fh:O-Si,36.0,A2B_oC72_63_acdegh_fh:O-Si +mp-600098,SiO2,-8.3619669855,-3.255735168,0.0122969211,-0.3642464871,GGA,Cmcm,A2B_oC192_63_e4fg5h_4h:O-Si,96.0,A2B_oC192_63_e4fg5h_4h:O-Si +mp-600111,SiO2,-8.3552050115,-3.248973194,0.0190588952,-0.357484513,GGA,Cmcm,A2B_oC192_63_2c7f4h_8f:O-Si,96.0,A2B_oC192_63_2c7f4h_8f:O-Si +mp-639724,SiO2,-8.36294963,-3.2567178125,0.0113142767,-0.3652291316,GGA,Cmcm,A2B_oC96_63_e2fg2h_2h:O-Si,48.0,A2B_oC96_63_e2fg2h_2h:O-Si +mp-560809,SiO2,-8.3639461013,-3.2577142837,0.0103178054,-0.3662256028,GGA,Cmcm,A2B_oC144_63_2cdef2g3h_2f2h:O-Si,72.0,"Invalid WP multiplicities - A2B_oC144_63_4c4d4e4f6g23h_8f11h:O-Si, expected Si5O11 to be SiO2" +mp-560826,SiO2,-8.3623072681,-3.2560754506,0.0119566386,-0.3645867696,GGA,Cmcm,A2B_oC72_63_def3g_2c2g:O-Si,36.0,"Invalid WP multiplicities - A2B_oC72_63_4d4e3f10g_4c6g:O-Si, expected Si8O21 to be SiO2" +mp-560527,SiO2,-8.3641270671,-3.2578952496,0.0101368396,-0.3664065686,GGA,Cmcm,A2B_oC48_63_defg_h:O-Si,24.0,"Invalid WP multiplicities - A2B_oC48_63_2d4e3f2g_h:O-Si, expected Si2O11 to be SiO2" +mp-560920,SiO2,-8.362658054,-3.2564262365,0.0116058527,-0.3649375555,GGA,Cmcm,A2B_oC192_63_2cef3g5h_2f3h:O-Si,96.0,"Invalid WP multiplicities - A2B_oC192_63_4c4e3f11g38h_6f18h:O-Si, expected Si7O16 to be SiO2" +mp-560941,SiO2,-8.3630174556,-3.2567856381,0.011246451,-0.3652969572,GGA,Cmcm,A2B_oC192_63_2efg6h_4h:O-Si,96.0,"Invalid WP multiplicities - A2B_oC192_63_8e4f3g44h_28h:O-Si, expected Si56O103 to be SiO2" +mp-560973,SiO2,-8.3459236746,-3.2396918571,0.028340232,-0.3482031762,GGA,Cmcm,A2B_oC108_63_acd2fg2h_cfgh:O-Si,54.0,"Invalid WP multiplicities - A2B_oC108_63_2a2c4d7f4g14h_2c2f4g6h:O-Si, expected Si19O45 to be SiO2" +mp-600041,SiO2,-8.3609956625,-3.254763845,0.0132682442,-0.3632751641,GGA,Cmce,A2B_oC96_64_cd2e2fg_2g:O-Si,48.0,A2B_oC96_64_cd2e2fg_2g:O-Si +mp-600045,SiO2,-8.3596615629,-3.2534297454,0.0146023437,-0.3619410645,GGA,Cmce,A2B_oC96_64_cd2e2fg_2g:O-Si,48.0,A2B_oC96_64_cd2e2fg_2g:O-Si +mp-600051,SiO2,-8.3601733272,-3.2539415097,0.0140905794,-0.3624528288,GGA,Cmce,A2B_oC144_64_d2e3f3g_3g:O-Si,72.0,A2B_oC144_64_d2e3f3g_3g:O-Si +mp-600065,SiO2,-8.3530850865,-3.246853269,0.0211788201,-0.3553645881,GGA,Cmce,A2B_oC144_64_c2d2ef3g_3g:O-Si,72.0,A2B_oC144_64_c2d2ef3g_3g:O-Si +mp-667376,SiO2,-8.3621845358,-3.2559527183,0.0120793709,-0.3644640373,GGA,Cmce,A2B_oC336_64_d2e7f9g_7g:O-Si,168.0,"Invalid WP multiplicities - A2B_oC336_64_4d8e28f69g_50g:O-Si, expected Si50O89 to be SiO2" +mp-667377,SiO2,-8.3601841197,-3.2539523022,0.014079787,-0.3624636213,GGA,Cmce,A2B_oC336_64_c2e7f9g_7g:O-Si,168.0,"Invalid WP multiplicities - A2B_oC336_64_4c7e28f68g_50g:O-Si, expected Si4O7 to be SiO2" +mp-559313,SiO2,-8.3649660112,-3.2587341937,0.0092978954,-0.3672455128,GGA,Cmce,A2B_oC48_64_cdef_g:O-Si,24.0,"Invalid WP multiplicities - A2B_oC48_64_2c4d3e2f_g:O-Si, expected Si2O11 to be SiO2" +mp-1250551,SiO2,-8.3617390605,-3.255507243,0.0125248461,-0.3640185621,GGA,Cmce,A2B_oC336_64_d2e5f10g_4f5g:O-Si,336.0,A2B_oC336_64_d2e5f10g_4f5g:O-Si +mp-639558,SiO2,-8.3588260339,-3.2525942164,0.0154378727,-0.3611055355,GGA,Cmmm,A2B_oC168_65_gi2nopq4r_p3r:O-Si,84.0,A2B_oC168_65_gi2nopq4r_p3r:O-Si +mp-560998,SiO2,-8.3633707394,-3.2571389219,0.0108931672,-0.365650241,GGA,Cmmm,A2B_oC108_65_ehnopq2r_gopr:O-Si,54.0,A2B_oC108_65_2e2h4n3o4p4q13r_g4o3p7r:O-Si +mp-600068,SiO2,-8.340780658,-3.2345488405,0.0334832487,-0.3430601596,GGA,Cccm,A2B_oC60_66_gklm_am:O-Si,30.0,A2B_oC60_66_gklm_am:O-Si +mp-600018,SiO2,-8.3626869444,-3.2564551269,0.0115769622,-0.364966446,GGA,Cmme,A2B_oC72_67_cgilno_mo:O-Si,36.0,A2B_oC72_67_cgilno_mo:O-Si +mp-653763,SiO2,-8.3569471387,-3.2507153212,0.017316768,-0.3592266403,GGA,Cmme,A2B_oC336_67_cd2gjk2l3mn9o_4m2n4o:O-Si,168.0,"Invalid WP multiplicities - A2B_oC336_67_2c2d4g4j4k8l12m3n67o_15m8n28o:O-Si, expected Si79O169 to be SiO2" +mp-559860,SiO2,-8.2138821454,-3.1076503279,0.1603817612,-0.216161647,GGA,Ccce,A2B_oC48_68_cegh_i:O-Si,24.0,"Invalid WP multiplicities - A2B_oC48_68_3c4e3g3h_i:O-Si, expected Si2O13 to be SiO2" +mp-556088,SiO2,-8.2728030804,-3.1665712629,0.1014608262,-0.275082582,GGA,Ccce,A2B_oC96_68_ch3i_egi:O-Si,48.0,"Invalid WP multiplicities - A2B_oC96_68_4c4h18i_4e4g4i:O-Si, expected Si4O11 to be SiO2" +mp-556591,SiO2,-8.3591208294,-3.2528890119,0.0151430772,-0.361400331,GGA,Fmmm,A2B_oF216_69_gimn3p_f2np:O-Si,54.0,"Invalid WP multiplicities - A2B_oF216_69_2g2i4m4n18p_2f7n5p:O-Si, expected Si9O23 to be SiO2" +mp-555411,SiO2,-7.8227630567,-2.7165312392,0.55150085,0.1749574418,GGA,Fddd,A2B_oF96_70_c2ef_h:O-Si,24.0,"Invalid WP multiplicities - A2B_oF96_70_3c3e7f_h:O-Si, expected Si2O13 to be SiO2" +mp-555483,SiO2,-8.3562867883,-3.2500549708,0.0179771183,-0.3585662899,GGA,Fddd,A2B_oF48_70_ce_f:O-Si,12.0,A2B_oF48_70_ce_f:O-Si +mp-555544,SiO2,-8.1971638738,-3.0909320563,0.1771000329,-0.1994433753,GGA,Fddd,A2B_oF96_70_c2ef_h:O-Si,24.0,"Invalid WP multiplicities - A2B_oF96_70_2c3e7f_h:O-Si, expected SiO6 to be SiO2" +mp-667368,SiO2,-8.3621728318,-3.2559410143,0.0120910749,-0.3644523333,GGA,Immm,A2B_oI192_71_eflm3n5o_2m3o:O-Si,96.0,"Invalid WP multiplicities - A2B_oI192_71_2e2f4l3m11n36o_7m21o:O-Si, expected Si49O92 to be SiO2" +mp-15078,SiO2,-8.3625259463,-3.2562941288,0.0117379604,-0.3648054479,GGA,Immm,A2B_oI108_71_egkl2n2o_hlno:O-Si,54.0,"Invalid WP multiplicities - A2B_oI108_71_egkl2n3o_hlno:O-Si, expected Si9O22 to be SiO2" +mp-600084,SiO2,-8.3603611037,-3.2541292862,0.0139028029,-0.3626406053,GGA,Ibam,A2B_oI192_72_3fg4j4k_4k:O-Si,96.0,A2B_oI192_72_3fg4j4k_4k:O-Si +mp-7905,SiO2,-7.9573875283,-2.8511557108,0.4168763783,0.0403329701,GGA,Ibam,A2B_oI12_72_j_a:O-Si,6.0,A2B_oI12_72_j_a:O-Si +mp-1071820,SiO2,-7.9374596817,-2.8312278642,0.436804225,0.0602608168,GGA,Ibam,A2B_oI12_72_j_a:O-Si,6.0,A2B_oI12_72_j_a:O-Si +mp-600000,SiO2,-8.3639869233,-3.2577551058,0.0102769833,-0.3662664249,GGA,Imma,A2B_oI24_74_aeg_h:O-Si,12.0,A2B_oI24_74_aeg_h:O-Si +mp-557933,SiO2,-8.3665840554,-3.2603522379,0.0076798512,-0.368863557,GGA,Imma,A2B_oI144_74_2efgh2i3j_2h2j:O-Si,72.0,"Invalid WP multiplicities - A2B_oI144_74_4e3f3g3h7i20j_8h11j:O-Si, expected Si15O29 to be SiO2" +mp-558326,SiO2,-8.3631767765,-3.256944959,0.0110871302,-0.365456278,GGA,Imma,A2B_oI216_74_f3h2i6j_g4j:O-Si,108.0,"Invalid WP multiplicities - A2B_oI216_74_4f11h8i45j_4g25j:O-Si, expected Si54O113 to be SiO2" +mp-600031,SiO2,-8.3636197293,-3.2573879118,0.0106441773,-0.3658992309,GGA,Imma,A2B_oI120_74_aef2i3j_h2j:O-Si,60.0,A2B_oI120_74_aef2i3j_h2j:O-Si +mp-600057,SiO2,-8.3566614211,-3.2504296036,0.0176024856,-0.3589409227,GGA,Imma,A2B_oI144_74_2e2hi4j_f3hj:O-Si,72.0,A2B_oI144_74_2e2hi4j_f3hj:O-Si +mp-600037,SiO2,-8.3565140081,-3.2502821906,0.0177498985,-0.3587935097,GGA,Imma,A2B_oI96_74_aeg3hij_2e3h:O-Si,48.0,A2B_oI96_74_aeg3hij_2e3h:O-Si +mp-555394,SiO2,-3.5909621571,1.5152696604,4.7833017496,4.4067583414,GGA,Imma,A2B_oI96_74_2h2i2j_hij:O-Si,48.0,"Invalid WP multiplicities - A2B_oI96_74_6h8i10j_3h3i4j:O-Si, expected Si7O17 to be SiO2" +mp-560336,SiO2,-8.3614816254,-3.2552498079,0.0127822812,-0.363761127,GGA,Imma,A2B_oI192_74_2efh3i5j_2h3j:O-Si,96.0,"Invalid WP multiplicities - A2B_oI192_74_4e4f3h11i32j_7h18j:O-Si, expected Si43O84 to be SiO2" +mp-600059,SiO2,-8.3636972084,-3.2574653909,0.0105666982,-0.36597671,GGA,P-4,A2B_tP51_81_g8h_a4h:O-Si,51.0,A2B_tP51_81_g8h_a4h:O-Si +mp-554151,SiO2,-8.3691560433,-3.2629242258,0.0051078633,-0.3714355449,GGA,I-4,A2B_tI24_82_2g_g:O-Si,12.0,"Invalid WP multiplicities - A2B_tI24_82_4g_g:O-Si, expected SiO4 to be SiO2" +mp-554682,SiO2,-8.3633946541,-3.2571628366,0.0108692526,-0.3656741557,GGA,I-4,A2B_tI288_82_24g_12g:O-Si,144.0,A2B_tI288_82_92g_46g:O-Si +mp-667448,SiO2,-8.1363129362,-3.0300811187,0.2379509705,-0.1385924377,GGA,I-4,A2B_tI288_82_24g_12g:O-Si,144.0,"Invalid WP multiplicities - A2B_tI288_82_94g_43g:O-Si, expected Si43O94 to be SiO2" +mp-572283,SiO2,-8.2146658392,-3.1084340217,0.1595980675,-0.2169453407,GGA,P4/n,A2B_tP48_85_4g_2g:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_85_25g_11g:O-Si, expected Si11O25 to be SiO2" +mp-1265115,SiO2,-8.2484117383,-3.1421799208,0.1258521683,-0.2506912399,GGA,I4/m,A2B_tI48_87_4h_2h:O-Si,24.0,"Invalid WP multiplicities - A2B_tI48_87_13h_5h:O-Si, expected Si5O13 to be SiO2" +mp-600054,SiO2,-8.3559680707,-3.2497362532,0.018295836,-0.3582475722,GGA,P4_122,A2B_tP192_91_2a15d_2c7d:O-Si,192.0,A2B_tP192_91_2a15d_2c7d:O-Si +mp-604717,SiO2,-8.1932413625,-3.087009545,0.1810225442,-0.1955208641,GGA,P4_12_12,A2B_tP36_92_3b_ab:O-Si,36.0,A2B_tP36_92_3b_ab:O-Si +mp-6945,SiO2,-8.3713285792,-3.2650967617,0.0029353275,-0.3736080807,GGA,P4_12_12,A2B_tP12_92_b_a:O-Si,12.0,A2B_tP12_92_b_a:O-Si +mp-1179529,SiO2,-8.2072286331,-3.1009968156,0.1670352736,-0.2095081346,GGA,P4_12_12,A2B_tP36_92_3b_ab:O-Si,36.0,"Invalid WP multiplicities - A2B_tP36_92_19b_3a3b:O-Si, expected Si9O38 to be SiO2" +mp-638033,SiO2,-7.6740641425,-2.567832325,0.7001997642000001,0.3236563559,GGA,P4_322,A2B_tP24_95_acd_d:O-Si,24.0,"Invalid WP multiplicities - A2B_tP24_95_3a2c4d_d:O-Si, expected Si2O13 to be SiO2" +mp-7029,SiO2,-8.3713502667,-3.2651184492,0.00291364,-0.3736297682,GGA,P4_32_12,A2B_tP12_96_b_a:O-Si,12.0,A2B_tP12_96_b_a:O-Si +mp-559872,SiO2,-8.3613123064,-3.2550804889,0.0129516003,-0.3635918079,GGA,P4_32_12,A2B_tP36_96_3b_ab:O-Si,36.0,"Invalid WP multiplicities - A2B_tP36_96_19b_4a3b:O-Si, expected Si5O19 to be SiO2" +mp-1353259,SiO2,-8.2096938922,-3.1034620747,0.1645700144,-0.2119733938,GGA,P4_32_12,A2B_tP36_96_3b_ab:O-Si,36.0,"Invalid WP multiplicities - A2B_tP36_96_19b_3a3b:O-Si, expected Si9O38 to be SiO2" +mp-545719,SiO2,-8.2246456092,-3.1184137917,0.1496182975,-0.2269251107,GGA,I4_122,A2B_tI24_98_cd_f:O-Si,12.0,"Invalid WP multiplicities - A2B_tI24_98_2c2d_f:O-Si, expected SiO4 to be SiO2" +mp-560954,SiO2,-8.2050549117,-3.0988230942,0.169208995,-0.2073344132,GGA,I4_122,A2B_tI48_98_2cdf_g:O-Si,24.0,"Invalid WP multiplicities - A2B_tI48_98_7c4d3f_g:O-Si, expected SiO7 to be SiO2" +mp-560152,SiO2,-8.2762855744,-3.1700537569,0.0979783323,-0.2785650759,GGA,P-42_1c,A2B_tP48_114_4e_2e:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_114_21e_7e:O-Si, expected SiO3 to be SiO2" +mp-600001,SiO2,-8.3489652987,-3.2427334812,0.025298608,-0.3512448002,GGA,P-4m2,A2B_tP15_115_gij_aj:O-Si,15.0,A2B_tP15_115_gij_aj:O-Si +mp-561291,SiO2,-8.228157815,-3.1219259975,0.1461060917,-0.2304373166,GGA,P-4c2,A2B_tP24_116_eij_j:O-Si,24.0,"Invalid WP multiplicities - A2B_tP24_116_3e3i4j_j:O-Si, expected SiO7 to be SiO2" +mp-558200,SiO2,-8.3009517883,-3.1947199708,0.0733121183,-0.3032312899,GGA,P-4n2,A2B_tP24_118_fhi_i:O-Si,24.0,"Invalid WP multiplicities - A2B_tP24_118_2f4h4i_i:O-Si, expected SiO7 to be SiO2" +mp-600067,SiO2,-8.3464704651,-3.2402386476,0.0277934415,-0.3487499667,GGA,I-4m2,A2B_tI168_119_g5i4j_h3j:O-Si,84.0,A2B_tI168_119_g5i4j_h3j:O-Si +mp-644923,SiO2,-8.3630622548,-3.2568304373,0.0112016519,-0.3653417564,GGA,I-4m2,A2B_tI288_119_2g4i9j_2h5j:O-Si,144.0,"Invalid WP multiplicities - A2B_tI288_119_8g16i65j_8h36j:O-Si, expected Si40O77 to be SiO2" +mp-639682,SiO2,-8.3451499947,-3.2389181772,0.029113912,-0.3474294962,GGA,I-4m2,A2B_tI30_119_ehi_ai:O-Si,15.0,A2B_tI30_119_ehi_ai:O-Si +mp-557930,SiO2,-8.3425847279,-3.2363529104,0.0316791787,-0.3448642295,GGA,I-42m,A2B_tI48_121_fij_j:O-Si,24.0,"Invalid WP multiplicities - A2B_tI48_121_4f4i6j_j:O-Si, expected SiO10 to be SiO2" +mp-560131,SiO2,-8.2824908304,-3.1762590129,0.0917730762,-0.284770332,GGA,I-42m,A2B_tI48_121_2ij_fi:O-Si,24.0,"Invalid WP multiplicities - A2B_tI48_121_7i4j_2f3i:O-Si, expected SiO3 to be SiO2" +mp-546794,SiO2,-8.3742639067,-3.2680320892,0.0,-0.3765434082,GGA,I-42d,A2B_tI12_122_d_a:O-Si,6.0,A2B_tI12_122_d_a:O-Si +mp-600006,SiO2,-8.3418823222,-3.2356505047,0.0323815845,-0.3441618237,GGA,P4/mcc,A2B_tP60_124_m2n_fn:O-Si,60.0,A2B_tP60_124_m2n_fn:O-Si +mp-638038,SiO2,-7.127762115,-2.0215302975,1.2465017917,0.8699583834,GGA,P4/nbm,A2B_tP24_125_efk_m:O-Si,24.0,"Invalid WP multiplicities - A2B_tP24_125_3e4f7k_m:O-Si, expected Si2O21 to be SiO2" +mp-560754,SiO2,-7.8452719677,-2.7390401502,0.5289919390000001,0.1524485307,GGA,P4/nbm,A2B_tP48_125_ijkm_n:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_125_6i8j6k5m_n:O-Si, expected Si2O25 to be SiO2" +mp-2374583,SiO2,-8.2202629808,-3.1140311633,0.1540009258,-0.2225424824,GGA,P4/nbm,A2B_tP48_125_iklm_n:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_125_7i6k7l5m_n:O-Si, expected Si2O25 to be SiO2" +mp-600076,SiO2,-8.3460975066,-3.2398656891,0.0281664001,-0.3483770081,GGA,P4/nnc,A2B_tP120_126_5k_cd2k:O-Si,120.0,A2B_tP120_126_5k_cd2k:O-Si +mp-557017,SiO2,-7.8532207604,-2.7469889429,0.5210431462,0.144499738,GGA,P4/nnc,A2B_tP48_126_fik_k:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_126_8f6i10k_k:O-Si, expected SiO17 to be SiO2" +mp-556564,SiO2,-7.2899111208,-2.1836793033,1.0843527858,0.7078093776000001,GGA,P4/nnc,A2B_tP48_126_f2hi_k:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_126_7f13h6i_k:O-Si, expected SiO13 to be SiO2" +mp-558203,SiO2,-8.2910074433,-3.1847756258,0.0832564633,-0.2932869449,GGA,P4/mbm,A2B_tP96_127_fh2ik2l_ikl:O-Si,96.0,"Invalid WP multiplicities - A2B_tP96_127_4f3h15i7k25l_7i5k9l:O-Si, expected Si60O151 to be SiO2" +mp-1203655,SiO2,-8.3491394294,-3.2429076119,0.0251244773,-0.3514189309,GGA,P4/mbm,A2B_tP144_127_2gijk4l_2i2l:O-Si,144.0,A2B_tP144_127_2gijk4l_2i2l:O-Si +mp-600015,SiO2,-8.3631464551,-3.2569146376,0.0111174515,-0.3654259567,GGA,P4/nmm,A2B_tP72_129_g2ijk_hk:O-Si,72.0,A2B_tP72_129_g2ijk_hk:O-Si +mp-600072,SiO2,-8.360302459,-3.2540706415,0.0139614477,-0.3625819605,GGA,P4/nmm,A2B_tP144_129_gh2i2j3k_3k:O-Si,144.0,A2B_tP144_129_gh2i2j3k_3k:O-Si +mp-558947,SiO2,-8.3644867297,-3.2582549122,0.009777177,-0.3667662312,GGA,P4/nmm,A2B_tP144_129_gh2i2j3k_3k:O-Si,144.0,"Invalid WP multiplicities - A2B_tP144_129_7g7h15i16j43k_33k:O-Si, expected Si66O131 to be SiO2" +mp-600002,SiO2,-8.3602325304,-3.2540007129,0.0140313762,-0.362512032,GGA,P4_2/mmc,A2B_tP24_131_ijn_o:O-Si,24.0,A2B_tP24_131_ijn_o:O-Si +mp-639480,SiO2,-8.3516259583,-3.2453941408,0.0226379483,-0.3539054599,GGA,P4_2/mmc,A2B_tP54_131_ghkor_eop:O-Si,54.0,A2B_tP54_131_ghkor_eop:O-Si +mp-600080,SiO2,-8.3518101878,-3.2455783703,0.0224537189,-0.3540896893,GGA,P4_2/mmc,A2B_tP192_131_i2jln2o2pq4r_oq3r:O-Si,192.0,A2B_tP192_131_i2jln2o2pq4r_oq3r:O-Si +mp-554755,SiO2,-8.3565589243,-3.2503271068,0.0177049824,-0.3588384258,GGA,P4_2/mmc,A2B_tP96_131_gjopq2r_nor:O-Si,96.0,"Invalid WP multiplicities - A2B_tP96_131_4g4j7o7p7q23r_7n6o8r:O-Si, expected Si29O71 to be SiO2" +mp-554665,SiO2,-8.1749938888,-3.0687620712,0.1992700179,-0.1772733903,GGA,P4_2/mcm,A2B_tP24_132_fil_n:O-Si,24.0,"Invalid WP multiplicities - A2B_tP24_132_3f2i4l_n:O-Si, expected Si2O13 to be SiO2" +mp-559347,SiO2,-8.3515851306,-3.2453533131,0.022678776,-0.3538646322,GGA,P4_2/nbc,A2B_tP48_133_hjk_k:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_133_7h6j9k_k:O-Si, expected Si2O31 to be SiO2" +mp-555556,SiO2,-8.3648474248,-3.2586156073,0.0094164819,-0.3671269264,GGA,P4_2/mbc,A2B_tP48_135_ghi_i:O-Si,48.0,"Invalid WP multiplicities - A2B_tP48_135_6g6h7i_i:O-Si, expected SiO13 to be SiO2" +mp-6947,SiO2,-8.1782002433,-3.0719684258,0.1960636633,-0.1804797449,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Si,6.0,A2B_tP6_136_f_a:O-Si +mp-600109,SiO2,-8.3496043322,-3.2433725147,0.0246595744,-0.3518838338,GGA,P4_2/ncm,A2B_tP180_138_cef5i4j_e5ij:O-Si,180.0,A2B_tP180_138_cef5i4j_e5ij:O-Si +mp-600003,SiO2,-8.3654576529,-3.2592258354,0.0088062537,-0.3677371545,GGA,I4/mmm,A2B_tI48_139_hik_l:O-Si,24.0,A2B_tI48_139_hik_l:O-Si +mp-639511,SiO2,-8.3627791917,-3.2565473742,0.011484715,-0.3650586932,GGA,I4/mmm,A2B_tI96_139_klmn_o:O-Si,48.0,A2B_tI96_139_klmn_o:O-Si +mp-600085,SiO2,-8.3561138083,-3.2498819908,0.0181500983,-0.3583933099,GGA,I4/mmm,A2B_tI192_139_gik2m2no_2no:O-Si,96.0,A2B_tI192_139_gik2m2no_2no:O-Si +mp-639734,SiO2,-8.3588941383,-3.2526623208,0.0153697683,-0.3611736399,GGA,I4/mmm,A2B_tI96_139_2hkln_ijl:O-Si,48.0,A2B_tI96_139_2hkln_ijl:O-Si +mp-555211,SiO2,-8.3634380619,-3.2572062444,0.0108258448,-0.3657175634,GGA,I4/mmm,A2B_tI96_139_hino_kl:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_139_4h3i6n8o_4k4l:O-Si, expected Si16O51 to be SiO2" +mp-1179454,SiO2,-8.3638126758,-3.2575808583,0.0104512308,-0.3660921774,GGA,I4/mmm,A2B_tI24_139_fi_h:O-Si,12.0,A2B_tI24_139_fi_h:O-Si +mp-554258,SiO2,-8.3654413694,-3.2592095519,0.0088225373,-0.3677208709,GGA,I4/mcm,A2B_tI96_140_ijkl_m:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_140_7i7j6k7l_m:O-Si, expected Si2O27 to be SiO2" +mp-554175,SiO2,-8.2759611862,-3.1697293687,0.0983027204,-0.2782406878,GGA,I4/mcm,A2B_tI96_140_ehlm_jl:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_140_3e4h5l7m_5j5l:O-Si, expected Si4O9 to be SiO2" +mp-554543,SiO2,-8.3611943317,-3.2549625142,0.013069575,-0.3634738332,GGA,I4/mcm,A2B_tI48_140_ehj_l:O-Si,24.0,"Invalid WP multiplicities - A2B_tI48_140_4e4h5j_l:O-Si, expected SiO9 to be SiO2" +mp-600016,SiO2,-8.3634345612,-3.2572027437,0.0108293454,-0.3657140628,GGA,I4_1/amd,A2B_tI48_141_fh_g:O-Si,24.0,A2B_tI48_141_fh_g:O-Si +mp-553993,SiO2,-8.3348389481,-3.2286071306,0.0394249585,-0.3371184497,GGA,I4_1/amd,A2B_tI96_141_fg2h_i:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_141_5f5g10h_i:O-Si, expected SiO10 to be SiO2" +mp-554267,SiO2,-8.3578626985,-3.251630881,0.0164012081,-0.3601422001,GGA,I4_1/amd,A2B_tI96_141_cehi_gh:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_141_3c3e6h10i_4g5h:O-Si, expected Si9O29 to be SiO2" +mp-600078,SiO2,-8.3506574513,-3.2444256338,0.0236064554,-0.3529369529,GGA,I4_1/amd,A2B_tI108_141_c2ehi_b2h:O-Si,54.0,A2B_tI108_141_c2ehi_b2h:O-Si +mp-639705,SiO2,-8.348875059000001,-3.2426432415,0.0253888477,-0.3511545606,GGA,I4_1/amd,A2B_tI60_141_cgh_bh:O-Si,30.0,A2B_tI60_141_cgh_bh:O-Si +mp-555521,SiO2,-8.364394087099999,-3.2581622696,0.0098698196,-0.3666735886,GGA,I4_1/amd,A2B_tI192_141_2eg2h2i_f3h:O-Si,96.0,"Invalid WP multiplicities - A2B_tI192_141_8e8g13h23i_4f18h:O-Si, expected Si22O71 to be SiO2" +mp-555700,SiO2,-8.365667349,-3.2594355315,0.0085965577,-0.3679468505,GGA,I4_1/amd,A2B_tI96_141_fg2h_i:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_141_6f5g11h_i:O-Si, expected SiO11 to be SiO2" +mp-1179447,SiO2,-8.3586421579,-3.2524103404,0.0156217487,-0.3609216595,GGA,I4_1/amd,A2B_tI48_141_ceg_h:O-Si,24.0,A2B_tI48_141_ceg_h:O-Si +mp-1365799,SiO2,-8.1754382971,-3.0692064796,0.1988256096,-0.1777177986,GGA,I4_1/amd,A2B_tI96_141_2hi_gh:O-Si,48.0,"Invalid WP multiplicities - A2B_oI96_74_6h8i10j_3h3i4j:O-Si, expected Si7O17 to be SiO2" +mp-555165,SiO2,-8.3477461829,-3.2415143654,0.0265177237,-0.3500256845,GGA,I4_1/acd,A2B_tI96_142_efg_g:O-Si,48.0,"Invalid WP multiplicities - A2B_tI96_142_4e6f7g_g:O-Si, expected SiO12 to be SiO2" +mp-558115,SiO2,-8.365667661,-3.2594358435,0.0085962457,-0.3679471626,GGA,R-3,A2B_hR360_148_c13f_2c6f:O-Si,120.0,"Invalid WP multiplicities - A2B_hR360_148_c73f_4c31f:O-Si, expected Si97O220 to be SiO2" +mp-558569,SiO2,-8.3012979381,-3.1950661206,0.0729659686,-0.3035774396,GGA,R-3,A2B_hR216_148_8f_4f:O-Si,72.0,"Invalid WP multiplicities - A2B_hR216_148_39f_18f:O-Si, expected Si6O13 to be SiO2" +mp-559389,SiO2,-8.1222036511,-3.0159718336,0.2520602556,-0.1244831527,GGA,R-3,A2B_hR54_148_def_f:O-Si,18.0,"Invalid WP multiplicities - A2B_hR54_148_3d3e4f_f:O-Si, expected SiO7 to be SiO2" +mp-559550,SiO2,-8.3661856556,-3.2599538381,0.0080782511,-0.3684651571,GGA,R-3,A2B_hR54_148_2f_f:O-Si,18.0,"Invalid WP multiplicities - A2B_hR54_148_5f_f:O-Si, expected SiO5 to be SiO2" +mp-1250639,SiO2,-8.3650252045,-3.258793387,0.0092387022,-0.367304706,GGA,R-3,A2B_hR360_148_c13f_2c6f:O-Si,360.0,"Invalid WP multiplicities - A2B_hR360_148_c19f_2c8f:O-Si, expected Si13O29 to be SiO2" +mp-7000,SiO2,-8.3636838378,-3.2574520203,0.0105800689,-0.3659633393,GGA,P3_121,A2B_hP9_152_c_a:O-Si,9.0,A2B_hP9_152_c_a:O-Si +mp-640917,SiO2,-5.9518262322,-0.8455944147000001,2.4224376744,2.0458942662,GGA,P3_221,A2B_hP9_154_c_a:O-Si,9.0,A2B_hP9_154_c_a:O-Si +mp-6930,SiO2,-8.3637818978,-3.2575500803,0.0104820089,-0.3660613993,GGA,P3_221,A2B_hP9_154_c_a:O-Si,9.0,A2B_hP9_154_c_a:O-Si +mp-1179508,SiO2,-8.0438912689,-2.9376594514,0.3303726378,-0.0461707704,GGA,P3_221,A2B_hP9_154_c_a:O-Si,,A2B_hP9_154_c_a:O-Si +mp-546546,SiO2,-8.3441915444,-3.2379597269,0.0300723622,-0.346471046,GGA,R32,A2B_hR27_155_de_d:O-Si,9.0,A2B_hR27_155_de_d:O-Si +mp-556963,SiO2,-8.2303065814,-3.1240747639,0.1439573253,-0.2325860829,GGA,P-31m,A2B_hP36_162_2ijk_l:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_162_10i6j4k_l:O-Si, expected SiO10 to be SiO2" +mp-557194,SiO2,-7.1179021156,-2.0116702981,1.2563617911,0.8798183829,GGA,P-31m,A2B_hP18_162_fgi_k:O-Si,18.0,"Invalid WP multiplicities - A2B_hP18_162_2f3g3i_k:O-Si, expected Si2O11 to be SiO2" +mp-556044,SiO2,-6.9225453178,-1.8163135003,1.4517185889,1.0751751807,GGA,P-31c,A2B_hP36_163_g3h_i:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_163_5g15h_i:O-Si, expected SiO10 to be SiO2" +mp-556464,SiO2,-8.1339725747,-3.0277407572,0.2402913319,-0.1362520763,GGA,P-31c,A2B_hP36_163_ghi_i:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_163_5g6h7i_i:O-Si, expected Si2O25 to be SiO2" +mp-17909,SiO2,-8.3624563967,-3.2562245792,0.01180751,-0.3647358982,GGA,R-3m,A2B_hR108_166_fg2h_i:O-Si,36.0,A2B_hR108_166_fg2h_i:O-Si +mp-561488,SiO2,-7.8896421436,-2.7834103261000003,0.4846217631,0.1080783548,GGA,R-3m,A2B_hR108_166_2fgh_i:O-Si,36.0,"Invalid WP multiplicities - A2B_hR108_166_5f9g4h_i:O-Si, expected SiO9 to be SiO2" +mp-559605,SiO2,-8.1409496489,-3.0347178314,0.2333142578,-0.1432291504,GGA,R-3m,A2B_hR54_166_def_h:O-Si,18.0,"Invalid WP multiplicities - A2B_hR54_166_3d3e5f_h:O-Si, expected SiO8 to be SiO2" +mp-638035,SiO2,-6.5495669656,-1.4433351481,1.8246969411,1.4481535329000002,GGA,R-3c,A2B_hR54_167_de_e:O-Si,18.0,"Invalid WP multiplicities - A2B_hR54_167_4d3e_e:O-Si, expected SiO7 to be SiO2" +mp-557771,SiO2,-7.7640192347,-2.6577874172,0.6102446719,0.2337012637,GGA,R-3c,A2B_hR108_167_d3e_f:O-Si,36.0,"Invalid WP multiplicities - A2B_hR108_167_4d12e_f:O-Si, expected SiO8 to be SiO2" +mp-557076,SiO2,-8.0891446078,-2.9829127903,0.2851192989,-0.0914241093,GGA,R-3c,A2B_hR108_167_def_f:O-Si,36.0,"Invalid WP multiplicities - A2B_hR108_167_5d4e6f_f:O-Si, expected Si2O21 to be SiO2" +mp-556027,SiO2,-7.8507210244,-2.7444892069,0.5235428822,0.146999474,GGA,R-3c,A2B_hR54_167_de_e:O-Si,18.0,"Invalid WP multiplicities - A2B_hR54_167_4d3e_e:O-Si, expected SiO7 to be SiO2" +mp-556812,SiO2,-8.0846261028,-2.9783942853000003,0.2896378039,-0.0869056043,GGA,R-3c,A2B_hR54_167_f_e:O-Si,18.0,A2B_hR54_167_f_e:O-Si +mp-530546,SiO2,-8.362686847500001,-3.25645503,0.0115770591,-0.3649663491,GGA,P6/m,A2B_hP162_175_3jk7l_j4l:O-Si,162.0,"Invalid WP multiplicities - A2B_hP162_175_18j6k37l_6j23l:O-Si, expected Si26O49 to be SiO2" +mp-1249090,SiO2,-8.3570135061,-3.2507816886,0.0172504006,-0.3592930076,GGA,P6_3/m,A2B_hP102_176_ch5i_fh2i:O-Si,102.0,A2B_hP102_176_ch5i_fh2i:O-Si +mp-554498,SiO2,-7.4889952092,-2.3827633917,0.8852686975,0.5087252893,GGA,P622,A2B_hP36_177_j2lm_n:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_177_4j10l5m_n:O-Si, expected Si2O19 to be SiO2" +mp-555355,SiO2,-7.5815581264,-2.4753263089,0.7927057803,0.4161623721,GGA,P622,A2B_hP36_177_j2lm_n:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_177_6j12l5m_n:O-Si, expected Si2O23 to be SiO2" +mp-555823,SiO2,-7.5887723542,-2.4825405367,0.7854915525,0.4089481443,GGA,P622,A2B_hP36_177_jk2l_n:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_177_4j5k10l_n:O-Si, expected Si2O19 to be SiO2" +mp-1257168,SiO2,-8.3511813269,-3.2449495094,0.0230825798,-0.3534608284,GGA,P6_122,A2B_hP180_178_a3b8c_5c:O-Si,180.0,A2B_hP180_178_a3b8c_5c:O-Si +mp-554243,SiO2,-8.3648302089,-3.2585983914,0.0094336978,-0.3671097104,GGA,P6_522,A2B_hP18_179_ab_b:O-Si,18.0,"Invalid WP multiplicities - A2B_hP18_179_4a4b_b:O-Si, expected SiO8 to be SiO2" +mp-559273,SiO2,-8.1646217218,-3.0583899043,0.2096421849,-0.1669012234,GGA,P6_222,A2B_hP72_180_4k_gik:O-Si,72.0,"Invalid WP multiplicities - A2B_hP72_180_39k_4g6i8k:O-Si, expected SiO3 to be SiO2" +mp-557723,SiO2,-8.0992932289,-2.9930614114000003,0.2749706778,-0.1015727304,GGA,P6_422,A2B_hP36_181_fgij_k:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_181_3f6g5i4j_k:O-Si, expected SiO9 to be SiO2" +mp-10851,SiO2,-8.3615632544,-3.2553314369,0.0127006522,-0.363842756,GGA,P6_422,A2B_hP9_181_i_d:O-Si,9.0,A2B_hP9_181_i_d:O-Si +mp-559091,SiO2,-8.3698865158,-3.2636546983,0.0043773908,-0.3721660174,GGA,P6_322,A2B_hP12_182_cg_f:O-Si,12.0,"Invalid WP multiplicities - A2B_hP12_182_c2g_f:O-Si, expected Si2O7 to be SiO2" +mp-1250261,SiO2,-8.36123401,-3.2550021925,0.0130298967,-0.3635135116,GGA,P-6m2,A2B_hP54_187_2jm2no_lo:O-Si,54.0,A2B_hP54_187_2jm2no_lo:O-Si +mp-680222,SiO2,-8.342709868,-3.2364780505,0.0315540387,-0.3449893695,GGA,P6/mmm,A2B_hP144_191_n3opqr_2r:O-Si,144.0,"Invalid WP multiplicities - A2B_hP144_191_9n35o10p12q21r_29r:O-Si, expected Si29O54 to be SiO2" +mp-532105,SiO2,-8.3625595754,-3.2563277579,0.0117043312,-0.364839077,GGA,P6/mmm,A2B_hP162_191_kl2n3opr_j2nr:O-Si,162.0,"Invalid WP multiplicities - A2B_hP162_191_4k6l8n15o6p6r_6j12n5r:O-Si, expected Si25O46 to be SiO2" +mp-8602,SiO2,-8.3635995315,-3.257367714,0.0106643752,-0.365879033,GGA,P6/mmm,A2B_hP102_191_cijk2or_hlno:O-Si,102.0,"Invalid WP multiplicities - A2B_hP102_191_cijk3or_hlno:O-Si, expected Si17O40 to be SiO2" +mp-1204057,SiO2,-8.3573279005,-3.251096083,0.0169360062,-0.359607402,GGA,P6/mmm,A2B_hP216_191_ch2im2n4o2r_3h2n3o:O-Si,216.0,A2B_hP216_191_ch2im2n4o2r_3h2n3o:O-Si +mp-1201887,SiO2,-8.361777526000001,-3.2555457085,0.0124863807,-0.3640570275,GGA,P6/mcc,A2B_hP72_192_j2kl_m:O-Si,72.0,A2B_hP72_192_j2kl_m:O-Si +mp-557211,SiO2,-8.3630858808,-3.2568540633,0.0111780258,-0.3653653824,GGA,P6_3/mcm,A2B_hP72_193_2ijk_l:O-Si,72.0,"Invalid WP multiplicities - A2B_hP72_193_17i10j7k_l:O-Si, expected SiO17 to be SiO2" +mp-7087,SiO2,-8.3624935083,-3.2562616908,0.0117703983,-0.3647730099,GGA,P6_3/mmc,A2B_hP12_194_cg_f:O-Si,12.0,"Invalid WP multiplicities - A2B_hP12_194_c2g_f:O-Si, expected Si2O7 to be SiO2" +mp-559740,SiO2,-8.3321530925,-3.225921275,0.0421108142,-0.3344325941,GGA,P6_3/mmc,A2B_hP36_194_ghk_k:O-Si,36.0,"Invalid WP multiplicities - A2B_hP36_194_4g6h6k_k:O-Si, expected SiO11 to be SiO2" +mp-559928,SiO2,-8.3481661872,-3.2419343697,0.0260977194,-0.3504456888,GGA,P6_3/mmc,A2B_hP18_194_gh_h:O-Si,18.0,"Invalid WP multiplicities - A2B_hP18_194_3g3h_h:O-Si, expected SiO6 to be SiO2" +mp-1249332,SiO2,-8.3615186448,-3.2552868273,0.0127452619,-0.3637981464,GGA,P6_3/mmc,A2B_hP108_194_2hi2kl_jl:O-Si,108.0,A2B_hP108_194_2hi2kl_jl:O-Si +mp-1256614,SiO2,-8.3591932706,-3.2529614531,0.0150706361,-0.3614727721,GGA,P6_3/mmc,A2B_hP108_194_2hijkl_jl:O-Si,108.0,A2B_hP108_194_2hijkl_jl:O-Si +mp-560836,SiO2,-8.1513952286,-3.0451634111,0.2228686781,-0.1536747302,GGA,P23,A2B_cP36_195_fgj_j:O-Si,36.0,"Invalid WP multiplicities - A2B_cP36_195_5f5g7j_j:O-Si, expected SiO12 to be SiO2" +mp-8059,SiO2,-8.3693160625,-3.263084245,0.0049478442,-0.3715955641,GGA,P2_13,A2B_cP24_198_ab_2a:O-Si,24.0,"Invalid WP multiplicities - A2B_cP24_198_a2b_2a:O-Si, expected Si2O7 to be SiO2" +mp-556537,SiO2,-8.1278069969,-3.0215751794,0.2464569097,-0.1300864985,GGA,I2_13,A2B_cI72_199_2bc_c:O-Si,36.0,"Invalid WP multiplicities - A2B_cI72_199_8b6c_c:O-Si, expected SiO10 to be SiO2" +mp-9258,SiO2,-7.8028673308,-2.6966355133,0.5713965758,0.1948531676,GGA,Pa-3,A2B_cP12_205_c_a:O-Si,12.0,A2B_cP12_205_c_a:O-Si +mp-558374,SiO2,-8.3463178857,-3.2400860682,0.027946021,-0.3485973873,GGA,Pa-3,A2B_cP72_205_2d_d:O-Si,72.0,"Invalid WP multiplicities - A2B_cP72_205_20d_d:O-Si, expected SiO20 to be SiO2" +mp-555497,SiO2,-8.1243065757,-3.0180747582,0.249957331,-0.1265860773,GGA,Ia-3,A2B_cI144_206_2de_e:O-Si,72.0,"Invalid WP multiplicities - A2B_cI144_206_17d12e_e:O-Si, expected Si2O41 to be SiO2" +mp-555740,SiO2,-8.3420559046,-3.2358240871,0.0322080021,-0.3443354061,GGA,Ia-3,A2B_cI48_206_ad_c:O-Si,24.0,"Invalid WP multiplicities - A2B_cI48_206_3a4d_c:O-Si, expected Si2O15 to be SiO2" +mp-638049,SiO2,-6.6351507125,-1.528918895,1.7391131942,1.3625697859,GGA,F4_132,A2B_cF144_210_fg_g:O-Si,36.0,"Invalid WP multiplicities - A2B_cF144_210_6f7g_g:O-Si, expected SiO13 to be SiO2" +mp-558598,SiO2,-6.5613347669,-1.4551029494,1.8129291397,1.4363857315000002,GGA,I432,A2B_cI72_211_hi_i:O-Si,36.0,"Invalid WP multiplicities - A2B_cI72_211_6h6i_i:O-Si, expected SiO12 to be SiO2" +mp-600096,SiO2,-8.2354765299,-3.1292447124,0.1387873768,-0.2377560314,GGA,I-43m,A2B_cI144_217_fgh_h:O-Si,72.0,A2B_cI144_217_fgh_h:O-Si +mp-1188220,SiO2,-8.36657424,-3.2603424225,0.0076896667,-0.3688537416,GGA,I-43m,A2B_cI36_217_g_d:O-Si,18.0,A2B_cI36_217_g_d:O-Si +mp-639478,SiO2,-8.3588839554,-3.2526521379,0.0153799512,-0.361163457,GGA,Pm-3m,A2B_cP72_221_him_k:O-Si,72.0,A2B_cP72_221_him_k:O-Si +mp-639512,SiO2,-8.3646950362,-3.2584632187,0.0095688704,-0.3669745378,GGA,Pm-3n,A2B_cP138_223_efkl_cik:O-Si,138.0,A2B_cP138_223_efkl_cik:O-Si +mp-683952,SiO2,-7.6482786607,-2.5420468432,0.725985246,0.3494418377,GGA,Pm-3n,A2B_cP144_223_2j2k_l:O-Si,144.0,"Invalid WP multiplicities - A2B_cP144_223_36j39k_l:O-Si, expected Si2O75 to be SiO2" +mp-557591,SiO2,-8.308511686,-3.2022798685,0.0657522207,-0.3107911875,GGA,Pm-3n,A2B_cP72_223_jk_j:O-Si,72.0,"Invalid WP multiplicities - A2B_cP72_223_13j12k_j:O-Si, expected SiO25 to be SiO2" +mp-557814,SiO2,-7.6684887136,-2.5622568961,0.7057751931,0.3292317848,GGA,Pm-3n,A2B_cP144_223_2j2k_l:O-Si,144.0,"Invalid WP multiplicities - A2B_cP144_223_35j39k_l:O-Si, expected SiO37 to be SiO2" +mp-557024,SiO2,-8.3179948669,-3.2117630494,0.0562690398,-0.3202743684,GGA,Pm-3n,A2B_cP144_223_jkl_l:O-Si,144.0,"Invalid WP multiplicities - A2B_cP144_223_17j18k24l_l:O-Si, expected Si2O83 to be SiO2" +mp-561301,SiO2,-7.8809783817,-2.7747465642,0.4932855249,0.1167421167,GGA,Pn-3m,A2B_cP144_224_ij2k_l:O-Si,144.0,"Invalid WP multiplicities - A2B_cP144_224_20i20j39k_l:O-Si, expected Si2O79 to be SiO2" +mp-1021503,SiO2,-7.9827753083,-2.8765434908,0.3914885983,0.0149451901,GGA,Pn-3m,A2B_cP6_224_b_a:O-Si,6.0,A2B_cP6_224_b_a:O-Si +mp-10064,SiO2,-7.1019678233,-1.9957360058,1.2722960833,0.8957526751,GGA,Fm-3m,A2B_cF12_225_c_a:O-Si,3.0,A2B_cF12_225_c_a:O-Si +mp-600023,SiO2,-8.360050956,-3.2538191385,0.0142129507,-0.3623304576,GGA,Fm-3m,A2B_cF120_225_fh_cf:O-Si,30.0,A2B_cF120_225_fh_cf:O-Si +mp-559962,SiO2,-8.3483903349,-3.2421585174,0.0258735718,-0.3506698364,GGA,Fm-3m,A2B_cF288_225_ghk_k:O-Si,72.0,"Invalid WP multiplicities - A2B_cF288_225_9g9h13k_k:O-Si, expected SiO22 to be SiO2" +mp-558931,SiO2,-8.111374209,-3.0051423915,0.2628896977,-0.1136537105,GGA,Fm-3c,A2B_cF576_226_hij_j:O-Si,144.0,"Invalid WP multiplicities - A2B_cF576_226_17h20i21j_j:O-Si, expected Si2O79 to be SiO2" +mp-12350,SiO2,-8.2402479033,-3.1340160858,0.1340160033,-0.2425274049,GGA,Fd-3m,A2B_cF96_227_cf_e:O-Si,24.0,A2B_cF96_227_cf_e:O-Si +mp-8352,SiO2,-8.3618813533,-3.2556495358,0.0123825533,-0.3641608549,GGA,Fd-3m,A2B_cF24_227_c_a:O-Si,6.0,A2B_cF24_227_c_a:O-Si +mp-32895,SiO2,-8.357991569,-3.2517597515,0.0162723376,-0.3602710706,GGA,Fd-3m,A2B_cF576_227_3gh_i:O-Si,144.0,"Invalid WP multiplicities - A2B_cF576_227_30g12h_i:O-Si, expected SiO21 to be SiO2" +mp-561090,SiO2,-8.3590175271,-3.2527857096,0.0152463796,-0.3612970286,GGA,Fd-3m,A2B_cF408_227_efgh_aeg:O-Si,102.0,"Invalid WP multiplicities - A2B_cF408_227_8e12f18g18h_2a7e9g:O-Si, expected Si69O268 to be SiO2" +mp-556257,SiO2,-7.9609948658,-2.8547630483,0.4132690408,0.0367256326,GGA,Fd-3c,A2B_cF576_228_fgh_h:O-Si,144.0,"Invalid WP multiplicities - A2B_cF576_228_18f18g26h_h:O-Si, expected SiO44 to be SiO2" +mp-600005,SiO2,-8.3587493287,-3.2525175112,0.0155145779,-0.3610288303,GGA,Im-3m,A2B_cI48_229_ch_f:O-Si,24.0,A2B_cI48_229_ch_f:O-Si +mp-600033,SiO2,-8.3658095494,-3.2595777319,0.0084543572,-0.368089051,GGA,Im-3m,A2B_cI36_229_h_d:O-Si,18.0,A2B_cI36_229_h_d:O-Si +mp-639741,SiO2,-8.3615237399,-3.2552919224,0.0127401668,-0.3638032414,GGA,Im-3m,A2B_cI144_229_jk_i:O-Si,72.0,A2B_cI144_229_jk_i:O-Si +mp-555791,SiO2,-8.3336214351,-3.2273896176,0.0406424716,-0.3359009366,GGA,Im-3m,A2B_cI288_229_i2jk_l:O-Si,144.0,"Invalid WP multiplicities - A2B_cI288_229_22i37j18k_l:O-Si, expected Si2O77 to be SiO2" +mp-556068,SiO2,-8.239376824,-3.1331450065,0.1348870826,-0.2416563256,GGA,Im-3m,A2B_cI144_229_ghi_j:O-Si,72.0,"Invalid WP multiplicities - A2B_cI144_229_7g8h11i_j:O-Si, expected Si2O37 to be SiO2" +mp-600028,SiO2,-8.3609577872,-3.2547259697,0.0133061194,-0.3632372888,GGA,Ia-3d,A2B_cI144_230_h_g:O-Si,72.0,A2B_cI144_230_h_g:O-Si +mp-683953,SiO2,-7.4980826517,-2.3918508342,0.8761812549,0.4996378467,GGA,Ia-3d,A2B_cI288_230_2h_h:O-Si,144.0,"Invalid WP multiplicities - A2B_cI288_230_49h_h:O-Si, expected SiO49 to be SiO2" +mp-558891,SiO2,-8.3626104997,-3.2563786822,0.0116534069,-0.3648900013,GGA,Ia-3d,A2B_cI72_230_g_d:O-Si,36.0,A2B_cI72_230_g_d:O-Si +mp-559829,SiO2,-8.2375977299,-3.1313659124,0.1366661768,-0.2398772314,GGA,Ia-3d,A2B_cI288_230_fgh_h:O-Si,144.0,"Invalid WP multiplicities - A2B_cI288_230_20f20g26h_h:O-Si, expected SiO46 to be SiO2" +mp-1204026,SiO2,-8.0686799293,-2.9624481118,0.3055839774,-0.0709594309,GGA,Ia-3d,A2B_cI288_230_2gh_h:O-Si,144.0,A2B_cI288_230_2gh_h:O-Si +mp-1256499,SiO2,-8.3177625275,-3.21153071,0.0565013792,-0.3200420291,GGA,Ia-3d,A2B_cI288_230_2h_h:O-Si,144.0,"Invalid WP multiplicities - A2B_cI288_230_49h_h:O-Si, expected SiO49 to be SiO2" +mp-32566,Si3O,-6.0823799219,-0.7767192216000001,0.4487928119,0.4487928119,GGA,C2/c,AB3_mC32_15_ac_3f:O-Si,16.0,"Invalid WP multiplicities - AB3_mC32_15_2ac_7f:O-Si, expected Si14O3 to be Si3O" +mp-32881,Si3O,-6.0883925769,-0.7827318766,0.4427801569,0.4427801569,GGA,C2/c,AB3_mC32_15_ce_3f:O-Si,16.0,"Invalid WP multiplicities - AB3_mC32_15_2a2e_9f:O-Si, expected Si9O2 to be Si3O" +mp-1179651,Si5O8,-7.8492721923,-2.7184952815,0.2981497238,0.2981497238,GGA,P1,A8B5_aP26_1_16a_10a:O-Si,26.0,A8B5_aP26_1_16a_10a:O-Si +mp-1219660,PuTaC2,-11.281198195,-0.1354614588,0.1699508308,0.1699508308,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Pu-Ta,4.0,A2BC_hR12_166_c_a_b:C-Pu-Ta +mp-1186826,Pu3Ta,-13.459621575,0.20570158,0.20570158,0.20570158,GGA,I4/mmm,A3B_tI8_139_ad_b:Pu-Ta,4.0,A3B_tI8_139_ad_b:Pu-Ta +mp-1186796,Pu3Ta,-12.6069817575,1.0583413975,1.0583413975,1.0583413975,GGA,Pm-3m,A3B_cP4_221_c_a:Pu-Ta,4.0,A3B_cP4_221_c_a:Pu-Ta +mp-1186374,Os3W,-11.718522775,-0.058464645,0.0,-0.058464645,GGA,P6_3/mmc,A3B_hP8_194_h_c:Os-W,8.0,A3B_hP8_194_h_c:Os-W +mp-1023492,Mg15W,-2.1635352837,0.1466104025,0.1466104025,0.1466104025,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-W,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-W, expected Mg27W to be Mg15W" +mp-978264,MgW3,-9.6215107062,0.4971569788,0.4971569788,0.4971569788,GGA,P6_3/mmc,AB3_hP8_194_c_h:Mg-W,8.0,AB3_hP8_194_c_h:Mg-W +mp-1192771,OsW2,-12.3776298423,0.0035794543,0.029563741,0.029563741,GGA,P4_2/mnm,AB2_tP30_136_ai_fij:Os-W,30.0,AB2_tP30_136_ai_fij:Os-W +mp-1095957,MgOs2W,-5.307252815,3.94603347,3.9899315735,3.9899315735,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Os-W,4.0,AB2C_oI8_71_a_e_b:Mg-Os-W +mp-1016269,Mg7W,-2.7310289625,0.28898236,0.28898236,0.28898236,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-W,8.0,A7B_hP8_187_ajk_d:Mg-W +mp-1016257,Mg3W,-3.99164052,0.448102075,0.448102075,0.448102075,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-W,4.0,A3B_oP4_25_abc_d:Mg-W +mp-1183930,CsPa3,-6.222951045,1.136898043,1.136898043,1.136898043,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Pa,4.0,AB3_cP4_221_a_c:Cs-Pa +mp-1105197,Cs2PaF7,-6.2647019385,-3.7961197208,0.0,-2.6590861068,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Cs-F-Pa,20.0,A2B7C_mC40_15_f_e3f_e:Cs-F-Pa +mp-1212520,GdZrF7,-8.2010062167,-4.2005422564,0.0,-0.0952452992,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Gd-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Gd-Zr +mp-530695,GdZr3F15,-7.7016853712,-4.1021375479,0.0,-0.0058304988,GGA,P-1,A15BC3_aP76_2_30i_2i_6i:F-Gd-Zr,76.0,"Invalid WP multiplicities - A15BC3_aP76_2_59i_3i_11i:F-Gd-Zr, expected Gd3Zr11F59 to be GdZr3F15" +mp-1224622,GdZr3F15,-7.6996237884,-4.1000759651,0.0020615828,-0.0037689161,GGA,C2/c,A15BC3_mC76_15_e7f_e_ef:F-Gd-Zr,38.0,"Invalid WP multiplicities - A15BC3_mC76_15_2e19f_e_ef:F-Gd-Zr, expected GdZr3F40 to be GdZr3F15" +mp-972965,GdF3,-9.06544034,-4.1128005544,0.0,-4.1128005544,GGA,Fm-3m,A3B_cF16_225_ac_b:F-Gd,4.0,A3B_cF16_225_ac_b:F-Gd +mp-1025326,Tb2Mo2C3,-8.7128227657,-0.3348186375,0.0,-0.1125122918,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-Tb,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-Tb +mp-1188505,TbMoC2,-8.7188600194,-0.2345232206,0.0584430872,0.0584430872,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mo-Tb,16.0,A2BC_oP16_62_2c_c_c:C-Mo-Tb +mp-18341,ErPtF7,-5.5895066769,-2.9207061322000003,0.0,-0.0609445675,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Er-F-Pt,36.0,AB7C_mP36_14_e_7e_e:Er-F-Pt +mp-1024969,NpF5,-7.384282325,-3.6334199052,0.0,-0.0071381426,GGA,I4/m,A5B_tI12_87_ah_b:F-Np,6.0,A5B_tI12_87_ah_b:F-Np +mp-568042,Np3Tl,-9.7624197475,0.5390758001,0.5390758001,0.5390758001,GGA,Pm-3m,A3B_cP4_221_c_a:Np-Tl,4.0,A3B_cP4_221_c_a:Np-Tl +mp-14107,NpF3,-8.4686849538,-3.7981308078,0.0,-0.1916578193,GGA,P6_3/mmc,A3B_hP8_194_bf_c:F-Np,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:F-Np, expected NpF5 to be NpF3" +mp-504787,NpF4,-7.9656436313,-3.8469045211,0.0,-0.1476002548,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Np,30.0,"Invalid WP multiplicities - A4B_mC60_15_2ce18f_ef:F-Np, expected NpF13 to be NpF4" +mp-1209816,NpF6,-6.9567874332,-3.468694078,0.0,-0.3543341593,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Np,28.0,A6B_oP28_62_2c2d_c:F-Np +mp-1209723,NpTl2F6,-6.2974392911,-3.0594459823,0.0,-0.0481397298,GGA,Cmcm,A6BC2_oC36_63_f2g_c_f:F-Np-Tl,18.0,A6BC2_oC36_63_f2g_c_f:F-Np-Tl +mp-1223002,La4DyC10,-7.9155466747,-0.139715329,0.037723856,0.037723856,GGA,Fmmm,A10BC4_oF60_69_g2n_a_2i:C-Dy-La,15.0,"Invalid WP multiplicities - A10BC4_oF60_69_2g5n_a_3i:C-Dy-La, expected La6DyC24 to be La4DyC10" +mp-1184,La2C3,-7.677252512,-0.1656503745,0.0,-0.0214291035,GGA,I-43d,A3B2_cI40_220_d_c:C-La,20.0,A3B2_cI40_220_d_c:C-La +mp-1001925,LaC,-6.51495629,0.5673800087,0.7054219875000001,0.7054219875000001,GGA,P-6m2,AB_hP2_187_a_d:C-La,2.0,AB_hP2_187_a_d:C-La +mp-1223019,LaC2,-7.9024614433,-0.10468208,0.0555637767,0.0333598987,GGA,Immm,A2B_oI6_71_f_a:C-La,3.0,A2B_oI6_71_f_a:C-La +mp-2367,LaC2,-7.95802522,-0.1602458567,0.0,-0.0222038779,GGA,I4/mmm,A2B_tI6_139_e_a:C-La,3.0,A2B_tI6_139_e_a:C-La +mp-1223073,La3DyC8,-7.9134076967,-0.1430633554,0.0386741616,0.0386741616,GGA,P4/mmm,A8BC3_tP12_123_2g2h_a_bh:C-Dy-La,12.0,"Invalid WP multiplicities - A8BC3_tP12_123_4g3h_a_b2h:C-Dy-La, expected La5DyC14 to be La3DyC8" +mp-1208951,Sr(AuF6)2,-3.8389235483,-1.7605898774000002,0.0,-0.0095351323,GGA,Pm-3m,A2B12C_cP60_221_g_2m_ad:Au-F-Sr,60.0,"Invalid WP multiplicities - A2B12C_cP60_221_g_4m_ad:Au-F-Sr, expected Sr(AuF12)2 to be Sr(AuF6)2" +mp-1186597,PmInO3,-6.906561624,-2.4381031867000003,0.4792423347,0.4792423347,GGA,Pm-3m,AB3C_cP5_221_b_c_a:In-O-Pm,5.0,AB3C_cP5_221_b_c_a:In-O-Pm +mp-1098698,Y2NiPt,-4.44676745,1.7492856067,2.5933543519,2.5933543519,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Ni-Pt-Y +mp-568172,Ca3N2,-5.423222506,-0.8852646080000001,0.0481298655,-0.036029412,GGA,C2/m,A3B2_mC30_12_a4i_3i:Ca-N,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a8i_5i:Ca-N, expected Ca17N10 to be Ca3N2" +mp-568293,Ca3N2,-5.439082037,-0.901124139,0.0322703345,-0.051888943,GGA,Pbcn,A3B2_oP20_60_cd_d:Ca-N,20.0,"Invalid WP multiplicities - A3B2_oP20_60_3c4d_d:Ca-N, expected Ca11N2 to be Ca3N2" +mp-13146,Ca3N2,-5.3784215,-0.840463602,0.0929308715,0.008771594,GGA,P-3m1,A3B2_hP5_164_ad_d:Ca-N,5.0,A3B2_hP5_164_ad_d:Ca-N +mp-1047,Ca3N2,-5.457712546,-0.919754648,0.0136398255,-0.070519452,GGA,R-3c,A3B2_hR30_167_e_c:Ca-N,10.0,A3B2_hR30_167_e_c:Ca-N +mp-13148,Ca3N2,-5.276522922,-0.738565024,0.1948294495,0.110670172,GGA,P6_3/mmc,A3B2_hP10_194_bf_ac:Ca-N,10.0,A3B2_hP10_194_bf_ac:Ca-N +mp-844,Ca3N2,-5.4713523715,-0.9333944735,0.0,-0.0841592775,GGA,Ia-3,A3B2_cI80_206_e_ad:Ca-N,40.0,A3B2_cI80_206_e_ad:Ca-N +mp-1013524,Ca3N2,-4.960181982,-0.422224084,0.5111703895,0.427011112,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ca-N,5.0,A3B2_cP5_221_c_ab:Ca-N +mp-656097,CaN6,-7.81569424,-0.3836128929,0.0792059214,-0.0653959043,GGA,C2,AB6_mC28_5_ab_6c:Ca-N,14.0,"Invalid WP multiplicities - AB6_oF56_22_ac_ej3k:Ca-N, expected CaN8 to be CaN6" +mp-676,CaN6,-7.8949001614,-0.4628188143,0.0,-0.1446018257,GGA,Fddd,AB6_oF56_70_a_eh:Ca-N,14.0,"Invalid WP multiplicities - AB6_oF56_70_a_e2h:Ca-N, expected CaN10 to be CaN6" +mp-680640,Ca11N8,-5.3884882974,-0.7172483984,0.2010759566,0.2010759566,GGA,P4_2/mnm,A11B8_tP38_136_af2i_fgi:Ca-N,38.0,"Invalid WP multiplicities - A11B8_tP38_136_2a4f10i_4f3g4i:Ca-N, expected Ca5N3 to be Ca11N8" +mp-11918,Ca(BeN)2,-6.480731049,-1.249247957,0.0,-0.1260725148,GGA,I4/mcm,A2BC2_tI20_140_h_a_h:Be-Ca-N,10.0,A2BC2_tI20_140_h_a_h:Be-Ca-N +mp-1058549,CaN,-5.634690525,-0.4636431225,0.3981682884,0.3981682884,GGA,Fm-3m,AB_cF8_225_a_b:Ca-N,2.0,AB_cF8_225_a_b:Ca-N +mp-2686,Ca2N,-4.9918156467,-0.8759174183,0.0,-0.0980886904,GGA,R-3m,A2B_hR9_166_c_a:Ca-N,3.0,A2B_hR9_166_c_a:Ca-N +mp-1009657,CaN2,-6.9687028833,-0.7425063067000001,0.0,-0.083614301,GGA,I4/mmm,AB2_tI6_139_a_e:Ca-N,3.0,AB2_tI6_139_a_e:Ca-N +mp-557715,Cd(AuF6)2,-3.5111603970000003,-1.483933639,0.0,-0.083247663,GGA,C2/c,A2BC12_mC60_15_f_e_6f:Au-Cd-F,30.0,"Invalid WP multiplicities - A2BC12_mC60_15_f_e_18f:Au-Cd-F, expected Cd(AuF18)2 to be Cd(AuF6)2" +mp-1101972,CdF2,-4.0121177042,-2.4301684725,0.0505461325,-2.4301684725,GGA,Pnma,AB2_oP12_62_c_2c:Cd-F,12.0,AB2_oP12_62_c_2c:Cd-F +mp-241,CdF2,-4.0626638367,-2.480714605,0.0,-2.480714605,GGA,Fm-3m,AB2_cF12_225_a_c:Cd-F,3.0,AB2_cF12_225_a_c:Cd-F +mp-29169,Cd(AuF4)2,-3.7626722777,-1.6933554141,0.0,-0.0563415483,GGA,P4/mcc,A2BC8_tP22_124_e_a_n:Au-Cd-F,22.0,A2BC8_tP22_124_e_a_n:Au-Cd-F +mp-1208181,Tl2PtI6,-2.8541462639,-0.6722998513,0.0,-0.0110649268,GGA,P4/mnc,A6BC2_tP18_128_eh_a_d:I-Pt-Tl,18.0,A6BC2_tP18_128_eh_a_d:I-Pt-Tl +mp-1188188,Mn3C,-9.2510696606,-0.0723918184,0.0165713117,0.0165713117,GGA,Pnma,AB3_oP16_62_c_cd:C-Mn,16.0,AB3_oP16_62_c_cd:C-Mn +mp-22749,Mn5C2,-9.2480622464,-0.06700404,0.0177227507,0.0177227507,GGA,C2/c,A2B5_mC28_15_f_e2f:C-Mn,14.0,A2B5_mC28_15_f_e2f:C-Mn +mp-21256,Mn7C3,-9.250044621,-0.0680342688,0.014997986,0.014997986,GGA,Pnma,A3B7_oP40_62_cd_3c2d:C-Mn,40.0,A3B7_oP40_62_cd_3c2d:C-Mn +mp-999256,Sc2MnC,-6.939273855,0.8246308936000001,1.1695253919,1.1695253919,GGA,F-43m,ABC2_cF16_216_a_c_bd:C-Mn-Sc,4.0,ABC2_cF16_216_a_c_bd:C-Mn-Sc +mp-999257,Sc2MnC,-7.2344041275,0.5295006211000001,0.8743951194,0.8743951194,GGA,Fm-3m,ABC2_cF16_225_a_b_c:C-Mn-Sc,4.0,ABC2_cF16_225_a_b_c:C-Mn-Sc +mp-542830,Mn23C6,-9.2698809424,-0.0940759537,0.0,-0.0341654833,GGA,Fm-3m,A6B23_cF116_225_e_acfh:C-Mn,29.0,A6B23_cF116_225_e_acfh:C-Mn +mp-1193506,Mn6C,-9.0930244096,0.0785123396,0.1434695458,0.1434695458,GGA,Fd-3m,AB6_cF112_227_c_def:C-Mn,28.0,AB6_cF112_227_c_def:C-Mn +mp-1222699,LaTmB12,-6.8483791257,-0.450911713,0.0434240553,0.0434240553,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-La-Tm,14.0,A12BC_cF56_225_g_a_b:B-La-Tm +mp-997618,BSb,-5.130223755,0.2739727504,0.2739727504,0.2739727504,GGA,F-43m,AB_cF8_216_a_c:B-Sb,2.0,AB_cF8_216_a_c:B-Sb +mp-1184351,Ga3B,-3.4288772638,0.5120426958000001,0.5120426958000001,0.5120426958000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Ga,8.0,AB3_hP8_194_c_h:B-Ga +mp-983230,Ga3B,-3.2068217625,0.7340981971,0.7340981971,0.7340981971,GGA,Pm-3m,AB3_cP4_221_a_c:B-Ga,4.0,AB3_cP4_221_a_c:B-Ga +mp-631553,Ga2BSb,-3.344789755,0.8713565090000001,0.9977435483,0.9977435483,GGA,Fm-3m,AB2C_cF16_225_a_c_b:B-Ga-Sb,4.0,AB2C_cF16_225_a_c_b:B-Ga-Sb +mp-1200172,Pr2USe5,-6.7272241316,-1.935626768,0.0,-0.0356690738,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pr-Se-U,32.0,A2B5C_oP32_62_d_3cd_c:Pr-Se-U +mp-36515,Pr2USe4,-6.8285795886,-1.8518842413,0.0501220834,0.0501220834,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-Se-U,14.0,A2B4C_tI28_122_d_e_a:Pr-Se-U +mp-1432,Be2B,-4.6786873867,0.0407184469,0.054649396,0.054649396,GGA,Fm-3m,AB2_cF12_225_a_c:B-Be,3.0,AB2_cF12_225_a_c:B-Be +mp-1227634,Be4B25,-6.0634466141,0.2104308249,0.2133130902,0.2133130902,GGA,P2/c,A25B4_mP58_13_e12g_2g:B-Be,58.0,"Invalid WP multiplicities - A25B4_mP58_13_e32g_4g:B-Be, expected Be8B65 to be Be4B25" +mp-631537,BeReB,-6.77588505,0.8452255569,1.2495247475,1.2495247475,GGA,F-43m,ABC_cF12_216_a_b_c:B-Be-Re,3.0,ABC_cF12_216_a_b_c:B-Be-Re +mp-1009823,BeB2,-5.5791705467,0.1202282556,0.1271937301,0.1271937301,GGA,P6/mmm,A2B_hP3_191_c_b:B-Be,3.0,A2B_hP3_191_c_b:B-Be +mp-27757,Be4B,-4.344125785,-0.0167171388,0.0,-0.0167171388,GGA,P4/nmm,AB4_tP10_129_c_acf:B-Be,10.0,AB4_tP10_129_c_acf:B-Be +mp-1220750,Nb10Ge6C,-8.6508615576,-0.5343978504,0.0,-0.0509467704,GGA,P-31m,AB6C10_hP17_162_a_k_cdk:C-Ge-Nb,17.0,AB6C10_hP17_162_a_k_cdk:C-Ge-Nb +mp-1078811,Nb2GeC,-9.0229515787,-0.5093757219,0.0,-0.0190650263,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ge-Nb,8.0,ABC2_hP8_194_a_c_f:C-Ge-Nb +mp-1219715,PrYAl6,-4.64425376,-0.429149779,0.0087921412,0.0087921412,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-Pr-Y,8.0,A6BC_hP8_187_jk_a_d:Al-Pr-Y +mp-1219708,PrYAl4,-4.872191565,-0.5005782003,0.0103835417,0.0103835417,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Pr-Y,6.0,A4BC_cF24_216_e_a_c:Al-Pr-Y +mp-27919,Ti8C5,-9.1266129369,-0.7183618911,0.0,-0.0241407202,GGA,R-3m,A5B8_hR39_166_abd_ch:C-Ti,13.0,"Invalid WP multiplicities - A5B8_hR39_166_abd_2c2h:C-Ti, expected Ti16C5 to be Ti8C5" +mp-1217090,Ti8C5,-9.0985083123,-0.6902572665000001,0.0281046246,0.0039639044,GGA,R-3m,A5B8_hR39_166_a2c_4c:C-Ti,13.0,"Invalid WP multiplicities - A5B8_hR39_166_a4c_8c:C-Ti, expected Ti16C9 to be Ti8C5" +mp-1187454,Ti3C,-7.8551590175,0.3736263681,0.8560120948000001,0.8560120948000001,GGA,Pm-3m,AB3_cP4_221_a_c:C-Ti,4.0,AB3_cP4_221_a_c:C-Ti +mp-631,TiC,-9.37114038,-0.8090616254,0.0,-0.2253925889,GGA,Fm-3m,AB_cF8_225_a_b:C-Ti,2.0,AB_cF8_225_a_b:C-Ti +mp-1094034,Ti3C2,-9.109501352,-0.680739945,0.049715244,0.049715244,GGA,P6_3/mmc,A2B3_hP10_194_f_af:C-Ti,10.0,A2B3_hP10_194_f_af:C-Ti +mp-1217106,Ti2C,-8.97363792,-0.6337547447,0.0094262242,-0.0111744391,GGA,R-3m,AB2_hR9_166_a_c:C-Ti,3.0,AB2_hR9_166_a_c:C-Ti +mp-10721,Ti2C,-8.9830641442,-0.6431809689,0.0,-0.0206006633,GGA,Fd-3m,AB2_cF48_227_c_e:C-Ti,12.0,AB2_cF48_227_c_e:C-Ti +mp-20315,Ti2InC,-7.611157755,-0.668324441,0.0,-0.1258315663,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-Ti,8.0,ABC2_hP8_194_a_c_f:C-In-Ti +mp-1217054,TiC2,-8.59682051,0.1874538239,0.7268282408000001,0.7268282408000001,GGA,Amm2,A2B_oC6_38_d_b:C-Ti,3.0,A2B_oC6_38_d_b:C-Ti +mp-1208199,TiC3,-7.52400355,1.3713685735,1.7758993862,1.7758993862,GGA,Cmmm,A3B_oC8_65_ce_b:C-Ti,4.0,A3B_oC8_65_ce_b:C-Ti +mp-20325,Ti3InC,-7.677729004,-0.5443639495,0.0,-0.0097043967,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Ti,5.0,ABC3_cP5_221_b_a_c:C-In-Ti +mp-1187863,YTmZn2,-3.7256071125,-0.3601586733,0.0020473575,0.0020473575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Tm-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Tm-Y-Zn +mp-1206338,ErO2,-8.0209525533,-3.2005871425,0.1809607519,0.1809607519,GGA,P2_1/m,AB2_mP6_11_e_2e:Er-O,6.0,AB2_mP6_11_e_2e:Er-O +mp-984359,DyO3,-6.85931879,-1.9976055466,0.508922348,0.508922348,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-O,8.0,AB3_hP8_194_c_h:Dy-O +mp-2460,Er2O3,-8.8047289693,-4.0096282186,0.0482292547,-0.8380029153,GGA,C2/m,A2B3_mC30_12_3i_a4i:Er-O,15.0,A2B3_mC30_12_3i_a4i:Er-O +mp-1225560,Er2O3,-8.716643632,-3.9215428813,0.136314592,-0.749917578,GGA,R3m,A2B3_hR15_160_2a_3a:Er-O,5.0,A2B3_hR15_160_2a_3a:Er-O +mp-13066,Er2O3,-8.779066784,-3.9839660333,0.07389144,-0.8123407300000001,GGA,P-3m1,A2B3_hP5_164_d_ad:Er-O,5.0,A2B3_hP5_164_d_ad:Er-O +mp-679,Er2O3,-8.852958224,-4.0578574733,0.0,-0.88623217,GGA,Ia-3,A2B3_cI80_206_ad_e:Er-O,40.0,A2B3_cI80_206_ad_e:Er-O +mp-1184211,ErO,-7.885386305,-3.1281825444,0.25336535,0.25336535,GGA,P6_3/mmc,AB_hP4_194_c_d:Er-O,4.0,AB_hP4_194_c_d:Er-O +mp-555574,Dy2O3,-8.7782256127,-3.9674976499,0.0429469813,-1.1154772917,GGA,C2/m,A2B3_mC30_12_3i_a4i:Dy-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_6i_a6i:Dy-O, expected Dy12O13 to be Dy2O3" +mp-1225275,Dy2O3,-8.56731074,-3.7565827773,0.253861854,-0.904562419,GGA,P-4m2,A2B3_tP5_115_g_abc:Dy-O,5.0,A2B3_tP5_115_g_abc:Dy-O +mp-13064,Dy2O3,-8.759255614,-3.9485276512,0.06191698,-1.096507293,GGA,P-3m1,A2B3_hP5_164_d_ad:Dy-O,5.0,A2B3_hP5_164_d_ad:Dy-O +mp-2345,Dy2O3,-8.821172594,-4.0104446312,0.0,-1.158424273,GGA,Ia-3,A2B3_cI80_206_ad_e:Dy-O,40.0,A2B3_cI80_206_ad_e:Dy-O +mp-673165,Dy2O3,-5.677529791,-0.8668018282000001,3.143642803,1.98521853,GGA,Pn-3m,A2B3_cP10_224_b_d:Dy-O,10.0,A2B3_cP10_224_b_d:Dy-O +mp-772188,DyErO3,-8.7528722023,-3.9499578456,0.0841932067,0.0841932067,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Dy-Er-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_a3b11c:Dy-Er-O, expected Dy5Er3O40 to be DyErO3" +mp-1206731,DyO2,-8.0022995967,-3.1689115092,0.1731256835,0.1731256835,GGA,P2_1/m,AB2_mP6_11_e_2e:Dy-O,6.0,AB2_mP6_11_e_2e:Dy-O +mp-1025483,ErO3,-6.9300178500000005,-2.0780716141,0.4580893067,0.4580893067,GGA,P6_3/m,AB3_hP8_176_c_h:Er-O,8.0,AB3_hP8_176_c_h:Er-O +mp-1095986,Ta2RhW,-6.5974692975,4.4120290425,4.6622044022,4.6622044022,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Ta-W,4.0,AB2C_oI8_71_a_e_b:Rh-Ta-W +mp-1217811,TaW,-12.475488645,-0.067534715,0.0,-0.0010159225,GGA,Cmmm,AB_oC4_65_a_c:Ta-W,2.0,AB_oC4_65_a_c:Ta-W +mp-979289,TaW3,-12.7732758625,-0.0902337825,0.0,-0.056466425,GGA,Fm-3m,AB3_cF16_225_a_bc:Ta-W,4.0,AB3_cF16_225_a_bc:Ta-W +mp-1187206,Ta3W,-12.1756695825,-0.0428038025,0.0,-0.009036445,GGA,Fm-3m,A3B_cF16_225_ac_b:Ta-W,4.0,A3B_cF16_225_ac_b:Ta-W +mp-1424734,AgN,-3.66490679,1.9196186742,1.9196186742,1.9196186742,GGA,Ama2,AB_oC8_40_b_b:Ag-N,4.0,AB_tP4_131_a_c:Ag-N +mp-1091417,AgN,-4.0643957,1.5201297642,1.5201297642,1.5201297642,GGA,Cmce,AB_oC16_64_f_e:Ag-N,8.0,AB_oC16_64_f_e:Ag-N +mp-1009767,AgN,-4.040099085,1.5444263792,1.5444263792,1.5444263792,GGA,P-6m2,AB_hP2_187_a_d:Ag-N,2.0,AB_hP2_187_a_d:Ag-N +mp-999197,AgN,-4.15528299,1.4292424742,1.4292424742,1.4292424742,GGA,P6_3/mmc,AB_hP4_194_a_c:Ag-N,4.0,AB_hP4_194_a_c:Ag-N +mp-1009766,AgN,-4.035035815,1.5494896492,1.5494896492,1.5494896492,GGA,F-43m,AB_cF8_216_a_c:Ag-N,2.0,AB_cF8_216_a_c:Ag-N +mp-1428312,AgN,-3.932667075,1.6518583892,1.6518583892,1.6518583892,GGA,Pm-3m,AB_cP2_221_a_b:Ag-N,2.0,AB_cP2_221_a_b:Ag-N +mp-1056955,AgN,-4.1648212,1.4197042642,1.4197042642,1.4197042642,GGA,Fm-3m,AB_cF8_225_a_b:Ag-N,2.0,AB_cF8_225_a_b:Ag-N +mp-985299,Ag3N,-3.228000515,0.9805402188,0.9805402188,0.9805402188,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-N,4.0,A3B_tI8_139_ad_b:Ag-N +mp-1245738,Ti2AgN3,-8.4117275122,-1.1395567103,0.1251126992,0.1251126992,GGA,R-3m,AB3C2_hR18_166_a_bc_c:Ag-N-Ti,18.0,AB3C2_hR18_166_a_bc_c:Ag-N-Ti +mp-2247,AgN3,-6.6063183562,0.3541918383,0.3541918383,0.3541918383,GGA,Ibam,AB3_oI16_72_a_dj:Ag-N,8.0,"Invalid WP multiplicities - AB3_oI16_72_a_d2j:Ag-N, expected AgN5 to be AgN3" +mp-571297,AgN3,-6.5863215087,0.3741886858,0.3741886858,0.3741886858,GGA,I4/mcm,AB3_tI16_140_a_dh:Ag-N,8.0,"Invalid WP multiplicities - AB3_tI16_140_a_2d2h:Ag-N, expected AgN6 to be AgN3" +mp-21473,Gd(NiP)2,-8.306727552,-1.0141274293,0.0,-0.0886559673,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Gd-Ni-P +mp-680742,GdP5,-7.3925375617,-0.5354317661,0.0,-0.0028759639,GGA,P2_1/m,AB5_mP12_11_e_e2f:Gd-P,12.0,"Invalid WP multiplicities - AB5_mP12_11_e_2e8f:Gd-P, expected GdP18 to be GdP5" +mp-510401,GdP,-11.34237978,-1.5976674067,0.0,-1.276408347,GGA,Fm-3m,AB_cF8_225_a_b:Gd-P,2.0,AB_cF8_225_a_b:Gd-P +mp-9996,SiP2,-5.5424285583,-0.1251208772,0.0,-0.0349695078,GGA,Pbam,A2B_oP24_55_2g2h_gh:P-Si,24.0,A2B_oP24_55_2g2h_gh:P-Si +mp-21065,SiP2,-5.5269715483,-0.1096638672,0.01545701,-0.0195124978,GGA,Pa-3,A2B_cP12_205_c_a:P-Si,12.0,A2B_cP12_205_c_a:P-Si +mp-2798,SiP,-5.5545373225,-0.1352270542,0.0,-0.0413863963,GGA,Cmc2_1,AB_oC48_36_6a_6a:P-Si,24.0,AB_oC48_36_6a_6a:P-Si +mp-8097,SiP,-5.188236255,0.2310740133,0.3663010675,0.3249146713,GGA,F-43m,AB_cF8_216_a_c:P-Si,2.0,AB_cF8_216_a_c:P-Si +mp-972741,Si3P,-4.8263782425,0.5959359067000001,0.6635494338,0.6635494338,GGA,Fm-3m,AB3_cF16_225_a_bc:P-Si,4.0,AB3_cF16_225_a_bc:P-Si +mp-1009085,BeSiP2,-5.37151493,-0.3736809529,0.0,-0.1330581441,GGA,I-42d,AB2C_tI16_122_a_d_b:Be-P-Si,8.0,AB2C_tI16_122_a_d_b:Be-P-Si +mp-1008491,BeSiP2,-4.438006365,0.5598276121,0.933508565,0.8004504209000001,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-P-Si,4.0,AB2C_cF16_225_a_c_b:Be-P-Si +mp-739,TiP,-7.8362928688,-1.1818956071,0.0,-0.1302357865,GGA,P6_3/mmc,AB_hP8_194_ac_f:P-Ti,8.0,AB_hP8_194_ac_f:P-Ti +mp-696572,TiP,-7.5556950325,-0.9012977708,0.2805978363,0.1503620497,GGA,P6_3/mmc,AB_hP4_194_c_d:P-Ti,4.0,AB_hP4_194_c_d:P-Ti +mp-30218,Ti2P,-8.13258401,-1.0644884967,0.0,-0.0064559765,GGA,P-62m,AB2_hP9_189_ad_fg:P-Ti,9.0,AB2_hP9_189_ad_fg:P-Ti +mp-980204,TiP3,-6.0916131075,-0.0577632233,0.5555119198,0.5555119198,GGA,I4/mmm,A3B_tI8_139_ad_b:P-Ti,4.0,A3B_tI8_139_ad_b:P-Ti +mp-680570,Ti5P3,-8.0877889316,-1.1231179811,0.0119510542,0.0119510542,GGA,Pnma,A3B5_oP32_62_cd_3cd:P-Ti,32.0,A3B5_oP32_62_cd_3cd:P-Ti +mp-1179486,Ti5P3,-7.7168324684,-0.7521615180000001,0.3829075173,0.3829075173,GGA,Pnma,A3B5_oP32_62_cd_3cd:P-Ti,32.0,"Invalid WP multiplicities - A3B5_oP32_62_4c4d_10c6d:P-Ti, expected Ti11P6 to be Ti5P3" +mp-567920,Ti4P3,-7.9836247457,-1.1519282333,0.0032093327,0.0032093327,GGA,I-43d,A3B4_cI28_220_a_c:P-Ti,14.0,A3B4_cI28_220_a_c:P-Ti +mp-31214,Ti3P,-8.1328333856,-0.8578887465,0.0,-0.059522374,GGA,P4_2/n,AB3_tP32_86_g_3g:P-Ti,32.0,AB3_tP32_86_g_3g:P-Ti +mp-20327,TiP2,-7.0583992008,-0.8177001908,0.0,-0.0297697861,GGA,Pnma,A2B_oP12_62_2c_c:P-Ti,12.0,A2B_oP12_62_2c_c:P-Ti +mp-1191079,Ti7P4,-8.1236897236,-1.1308120742,0.0,-0.0236839525,GGA,C2/m,A4B7_mC44_12_4i_ad6i:P-Ti,22.0,A4B7_mC44_12_4i_ac6i:P-Ti +mp-10739,TiPRu,-8.5447683933,-1.0170360389,0.0,-0.1811618271,GGA,P-62m,ABC_hP9_189_ad_g_f:P-Ru-Ti,9.0,ABC_hP9_189_ad_g_f:P-Ru-Ti +mp-505534,PuB6,-8.1504124,-0.386956835,0.0048747883,0.0048747883,GGA,Pm-3m,A6B_cP7_221_e_b:B-Pu,7.0,A6B_cP7_221_e_b:B-Pu +mp-1019317,TcB2,-8.34711154,-0.4406373778,0.0,-0.2523697797,GGA,P6_3/mmc,A2B_hP6_194_f_c:B-Tc,6.0,A2B_hP6_194_f_c:B-Tc +mp-1197233,Pu2TcB6,-9.3075057397,-0.5327650475,0.0,-0.0259946613,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Pu-Tc,36.0,A6B2C_oP36_55_6h_2g_g:B-Pu-Tc +mp-1105617,TcB4,-7.0480209145,0.3676202912,0.6320027178000001,0.6320027178000001,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-Tc,20.0,A4B_hP20_194_fi_bc:B-Tc +mp-1188688,PuTcB2,-9.9146646681,-0.417849464,0.0086090049,0.0086090049,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Pu-Tc,16.0,A2BC_oP16_62_d_c_c:B-Pu-Tc +mp-1104892,PuB12,-7.5240579023,-0.2609394731,0.0,-0.0525781004,GGA,Fm-3m,A12B_cF52_225_h_b:B-Pu,13.0,A12B_cF52_225_h_b:B-Pu +mp-20467,PuB4,-8.7023525695,-0.5052714868,0.0,-0.1139981055,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Pu,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Pu, expected PuB6 to be PuB4" +mp-580,PuB2,-9.61021928,-0.4013453228,0.0197142496,0.0197142496,GGA,P6/mmm,A2B_hP3_191_c_b:B-Pu,3.0,A2B_hP3_191_c_b:B-Pu +mp-978989,Tc7B3,-9.5747920195,-0.3185272268,0.0,-0.0296627003,GGA,P6_3mc,A3B7_hP20_186_c_b2c:B-Tc,20.0,A3B7_hP20_186_c_b2c:B-Tc +mp-1067451,TcB,-4.3873804125,4.1326349454,4.5177677091,4.5177677091,GGA,P6_3mc,AB_hP4_186_b_b:B-Tc,4.0,AB_hP4_186_b_b:B-Tc +mp-1002188,TcB,-8.802416755,-0.2824013971,0.1027313666,0.1027313666,GGA,P-6m2,AB_hP2_187_a_d:B-Tc,2.0,AB_hP2_187_a_d:B-Tc +mp-999118,TcB,-8.6417818825,-0.1217665246,0.2633662391,0.2633662391,GGA,P6_3/mmc,AB_hP4_194_a_c:B-Tc,4.0,AB_hP4_194_a_c:B-Tc +mp-999120,TcB,-8.7424002925,-0.2223849346,0.1627478291,0.1627478291,GGA,P6_3/mmc,AB_hP4_194_c_a:B-Tc,4.0,AB_hP4_194_c_a:B-Tc +mp-1002184,TcB,-7.799463455,0.7205519029,1.1056846666,1.1056846666,GGA,F-43m,AB_cF8_216_a_c:B-Tc,2.0,AB_cF8_216_a_c:B-Tc +mp-1002183,TcB,-8.384307945,0.1357074129,0.5208401766,0.5208401766,GGA,Pm-3m,AB_cP2_221_a_b:B-Tc,2.0,AB_cP2_221_a_b:B-Tc +mp-1002187,TcB,-8.527786735,-0.0077713771,0.3773613866,0.3773613866,GGA,Fm-3m,AB_cF8_225_a_b:B-Tc,2.0,AB_cF8_225_a_b:B-Tc +mp-1191553,PuTcB4,-9.1072998529,-0.5496257932,0.0,-0.0398926631,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Pu-Tc,24.0,A4BC_oP24_55_4h_g_g:B-Pu-Tc +mp-2765,PuB,-9.97161169,0.5020033604,0.8177980397,0.8177980397,GGA,Fm-3m,AB_cF8_225_a_b:B-Pu,2.0,AB_cF8_225_a_b:B-Pu +mp-1087495,Tc3B,-9.70849538,-0.2681682285,0.0,-0.0027288729,GGA,Cmcm,AB3_oC16_63_c_cf:B-Tc,8.0,AB3_oC16_63_c_cf:B-Tc +mp-1191371,TmCrB4,-7.5012512079,-0.6935095451000001,0.0,-0.1131047073,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Tm +mp-21781,Sr(InS2)2,-4.7244177877,-1.3331805904,0.0,-0.0525823693,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:In-S-Sr,56.0,A2B4C_oF224_70_2h_4h_abe:In-S-Sr +mp-1245870,Sc3Si6N11,-8.5694072855,-1.406869302,0.130819158,0.130819158,GGA,P4bm,A11B3C6_tP40_100_bc2d_ac_cd:N-Sc-Si,40.0,A11B3C6_tP40_100_bc2d_ac_cd:N-Sc-Si +mp-1246340,Sc5(SiN3)3,-8.7246334328,-1.4912949657,0.2751520593,0.2751520593,GGA,Cmce,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Sc-Si,68.0,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Sc-Si +mp-1199431,Ho2ZrS5,-6.9717638675,-2.1724179045,0.002401826,0.002401826,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ho-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Ho-S-Zr +mp-1221490,Mo3Ru3C2,-9.6891252112,0.1630609056,0.2358105809,0.2358105809,GGA,P-3m1,A2B3C3_hP8_164_d_ad_bd:C-Mo-Ru,8.0,"Invalid WP multiplicities - A2B3C3_hP8_164_d_a2d_b2d:C-Mo-Ru, expected Mo5Ru5C2 to be Mo3Ru3C2" +mp-1246163,Cr2Pb3N4,-7.1566123922,-0.0688328533,0.2385167989,0.2385167989,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Cr-N-Pb,18.0,A2B4C3_mC36_15_f_2f_ef:Cr-N-Pb +mp-1246751,Cr2Pb3N4,-7.0712635744,0.0165159644,0.3238656167,0.3238656167,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Cr-N-Pb,36.0,A2B4C3_oP36_52_cd_2e_ce:Cr-N-Pb +mp-1245356,Cr2PbN4,-8.2396480507,-0.1875449493,0.2076188893,0.2076188893,GGA,Pa-3,A2B4C_cP84_205_d_2d_ac:Cr-N-Pb,84.0,A2B4C_cP84_205_d_2d_ac:Cr-N-Pb +mp-1245847,CrPbN2,-7.5969812475,-0.08731015,0.2584582087,0.2584582087,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Cr-N-Pb,8.0,AB2C_tP8_129_c_ac_c:Cr-N-Pb +mp-1245723,Cr(PbN)3,-6.3721755164000005,0.1707492629,0.3683311821,0.3683311821,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cr-N-Pb,14.0,AB3C3_hP14_176_c_h_h:Cr-N-Pb +mp-1246154,Cr3Pb3N5,-7.5627943155,-0.1282890205,0.2489128255,0.2489128255,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Cr-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Cr-N-Pb +mp-22563,Gd(LuS2)3,-7.6155723785,-2.3698050784,0.0,-0.0126657379,GGA,P2_1/m,AB3C6_mP20_11_e_3e_6e:Gd-Lu-S,20.0,AB3C6_mP20_11_e_3e_6e:Gd-Lu-S +mp-608146,Gd2S3,-10.4937873305,-2.3814685144,0.0,-0.1076115129,GGA,Pnma,A2B3_oP20_62_2c_3c:Gd-S,20.0,"Invalid WP multiplicities - A2B3_oP20_62_7c_8c:Gd-S, expected Gd7S8 to be Gd2S3" +mp-669509,Gd2S3,-10.4881910455,-2.3758722294,0.005596285,-0.1020152279,GGA,Pnma,A2B3_oP20_62_2c_3c:Gd-S,20.0,"Invalid WP multiplicities - A2B3_oP20_62_2c_8c:Gd-S, expected GdS4 to be Gd2S3" +mp-684712,Gd2S3,-10.4713010193,-2.3589822031,0.0224863112,-0.0851252017,GGA,I-42d,A2B3_tI80_122_cde_3e:Gd-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d4e_16e:Gd-S, expected GdS2 to be Gd2S3" +mp-20036,Gd3S4,-10.743571535,-2.3472620796,0.0144522111,0.0144522111,GGA,I-43d,A3B4_cI28_220_a_c:Gd-S,14.0,A3B4_cI28_220_a_c:Gd-S +mp-510402,GdS,-11.418614785,-2.3123287316,0.0,-0.2584744119,GGA,Fm-3m,AB_cF8_225_a_b:Gd-S,2.0,AB_cF8_225_a_b:Gd-S +mp-646008,Gd10S19,-9.6960323633,-2.1321092643,0.0,-0.0068617304,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:Gd-S,58.0,"Invalid WP multiplicities - A10B19_tP58_86_3e9g_2a3e22g:Gd-S, expected Gd7S16 to be Gd10S19" +mp-1095479,GdS2,-9.5215421542,-2.0718681629,0.0,-0.0108292074,GGA,P2_1/c,AB2_mP12_14_e_2e:Gd-S,12.0,AB2_mP12_14_e_2e:Gd-S +mp-1018706,GdS2,-9.4600597117,-2.0103857204,0.0614824425,0.0506532351,GGA,P4/nmm,AB2_tP6_129_c_ac:Gd-S,6.0,AB2_tP6_129_c_ac:Gd-S +mp-1077072,GdS2,-7.9791234767,-0.5294494854,1.5424186775000002,1.5315894701,GGA,Fd-3m,AB2_cF24_227_a_d:Gd-S,6.0,AB2_cF24_227_a_d:Gd-S +mp-1666,Th2S5,-7.1656449496,-2.0927926876,0.0,-0.1043264558,GGA,Pbcn,A5B2_oP28_60_c2d_d:S-Th,28.0,A5B2_oP28_60_c2d_d:S-Th +mp-503,ThS,-7.870854105,-2.0957000466,0.0,-0.2154808642,GGA,Fm-3m,AB_cF8_225_a_b:S-Th,2.0,AB_cF8_225_a_b:S-Th +mp-1146,ThS2,-7.5487965983,-2.3198772704,0.0,-0.1037726348,GGA,Pnma,A2B_oP12_62_2c_c:S-Th,12.0,A2B_oP12_62_2c_c:S-Th +mp-1217388,Th7S12,-7.6508821842,-2.3069660709,0.0,-0.0205699855,GGA,P-6,A12B7_hP19_174_2j2k_ajk:S-Th,19.0,A12B7_hP19_174_2j2k_ajk:S-Th +mp-20163,Th2S3,-7.703676239,-2.2562630189,0.0,-7.938e-07,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Th,20.0,A3B2_oP20_62_3c_2c:S-Th +mp-1207041,Th2AsS2,-5.338544598,0.2134023297,2.1731611885,2.1731611885,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-S-Th,5.0,AB2C2_tP5_123_a_g_g:As-S-Th +mp-978993,Th3S,-6.893147055,-0.2986409008,0.7492091225,0.7492091225,GGA,I4/mmm,AB3_tI8_139_a_bd:S-Th,4.0,AB3_tI8_139_a_bd:S-Th +mp-1187074,Th3S,-6.90639195,-0.3118857958,0.7359642275,0.7359642275,GGA,Pm-3m,AB3_cP4_221_a_c:S-Th,4.0,AB3_cP4_221_a_c:S-Th +mp-1019358,ThAsS,-7.1133476283,-1.7102054544,0.0,-0.0258683,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-Th,6.0,ABC_tP6_129_a_c_c:As-S-Th +mp-1183119,Ac3Br,-3.7508530225,-0.2717146844,0.5807712546,0.5807712546,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Br,8.0,A3B_hP8_194_h_c:Ac-Br +mp-27972,AcBr3,-4.7525228162,-2.5574578169,0.0,-2.4668862554,GGA,P6_3/m,AB3_hP8_176_c_h:Ac-Br,8.0,AB3_hP8_176_c_h:Ac-Br +mp-28460,Br2O,-2.80672111,-0.1224726529,0.0069861219,0.0069861219,GGA,Pna2_1,A2B_oP12_33_2a_a:Br-O,12.0,A2B_oP12_33_2a_a:Br-O +mp-1182474,BrO2,-3.6387350933,0.1767334908,0.3709216531,0.3709216531,GGA,P2_1/c,AB2_mP12_14_e_2e:Br-O,12.0,AB2_mP12_14_e_2e:Br-O +mp-28933,Br2O3,-3.8222503535,-0.2330257948,0.0,-0.159542203,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Br-O,40.0,A2B3_mP40_14_4e_6e:Br-O +mp-1181998,BrO,-2.7159376550000003,0.5339208656000001,0.7281090279,0.7281090279,GGA,R3m,AB_hR6_160_a_a:Br-O,2.0,AB_hR6_160_a_a:Br-O +mp-1207019,BrO,-2.54945987,0.7003986506000001,0.8945868129000001,0.8945868129000001,GGA,R-3m,AB_hR6_166_a_b:Br-O,2.0,AB_hR6_166_a_b:Br-O +mp-1182115,BrO3,-3.8927147188,0.2055588972,0.3512000189,0.3512000189,GGA,Aea2,AB3_oC16_41_a_ab:Br-O,8.0,AB3_oC16_41_a_ab:Br-O +mp-1182120,BrO3,-4.0074521487,0.0908214672,0.2364625889,0.2364625889,GGA,Aea2,AB3_oC16_41_a_ab:Br-O,8.0,AB3_oC16_41_a_ab:Br-O +mp-1207297,Ac2Br2O,-4.752913792,-1.4938947148,1.2428437147,1.2428437147,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ac-Br-O,5.0,A2B2C_tP5_123_g_g_a:Ac-Br-O +mp-1182293,BrO4,-4.0175712305,0.2503854045,0.3668983019,0.3668983019,GGA,P2_1,AB4_mP20_4_2a_8a:Br-O,20.0,AB4_mP20_4_2a_8a:Br-O +mp-1182418,BrO4,-4.1875544515,0.0804021835,0.1969150809,0.1969150809,GGA,P2_1,AB4_mP20_4_2a_8a:Br-O,20.0,AB4_mP20_4_2a_8a:Br-O +mp-30274,AcBrO,-6.9648801467,-3.4245827971,0.0,-0.2110283972,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ac-Br-O,6.0,ABC_tP6_129_c_c_a:Ac-Br-O +mp-979038,Th3O,-6.8488111925,-0.0517453272,1.5864940612,1.5864940612,GGA,I4/mmm,AB3_tI8_139_a_bd:O-Th,4.0,AB3_tI8_139_a_bd:O-Th +mp-865439,Th3O2,-8.728681196,-2.3016907615,0.31949226,0.31949226,GGA,R-3c,A2B3_hR30_167_c_e:O-Th,10.0,A2B3_hR30_167_c_e:O-Th +mp-1187556,ThReO3,-9.032555872,-2.0928655582,1.0980081247,1.0980081247,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-Th,5.0,A3BC_cP5_221_c_b_a:O-Re-Th +mp-1206987,ThO,-9.17377255,-2.9934990694,0.2829797075,0.2829797075,GGA,Fm-3m,AB_cF8_225_a_b:O-Th,2.0,AB_cF8_225_a_b:O-Th +mp-1102569,ThO2,-9.9880161992,-4.2189376417,0.1497007275,-2.2232715954,GGA,Pnma,A2B_oP12_62_2c_c:O-Th,12.0,A2B_oP12_62_2c_c:O-Th +mp-643,ThO2,-10.1377169267,-4.3686383692,0.0,-2.3729723229,GGA,Fm-3m,A2B_cF12_225_c_a:O-Th,3.0,A2B_cF12_225_c_a:O-Th +mp-1096221,YHfAu2,-3.6763734875,2.0664825483,2.7805565313,2.7805565313,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-Y,4.0,A2BC_oI8_71_e_a_b:Au-Hf-Y +mp-1179856,PtO6,-5.2468598521,-0.1395361968,0.25794294,0.25794294,GGA,C2/c,A6B_mC28_15_3f_c:O-Pt,14.0,A6B_mC28_15_3f_c:O-Pt +mp-1179845,PtO6,-5.2484067764,-0.1410831211,0.2563960157,0.2563960157,GGA,R-3c,A6B_hR42_167_f_b:O-Pt,14.0,A6B_hR42_167_f_b:O-Pt +mp-1186816,Pt2Rh2O5,-5.9036527411,-0.1698387482,0.8042678769,0.8042678769,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Pt-Rh,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_ab_h:O-Pt-Rh, expected Pt2Rh2O9 to be Pt2Rh2O5" +mp-768242,PtO3,-5.8236185956,-0.5958187322,0.0997697572,0.0997697572,GGA,Pnma,A3B_oP16_62_cd_a:O-Pt,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c4d_a:O-Pt, expected PtO11 to be PtO3" +mp-768247,PtO3,-5.8368795863,-0.6090797228,0.0865087666,0.0865087666,GGA,R-3c,A3B_hR24_167_e_b:O-Pt,8.0,A3B_hR24_167_e_b:O-Pt +mp-7947,PtO,-6.093854715,-0.5849436994,0.1391273413,0.1391273413,GGA,P4_2/mmc,AB_tP4_131_e_c:O-Pt,4.0,AB_tP4_131_e_c:O-Pt +mp-11540,PtO,-5.30355787,0.2053531456,0.9294241863,0.9294241863,GGA,Fm-3m,AB_cF8_225_a_b:O-Pt,2.0,AB_cF8_225_a_b:O-Pt +mp-1604,Pt3O4,-6.2561033043,-0.8275097607,0.0,-0.0325514871,GGA,Pm-3n,A4B3_cP14_223_e_c:O-Pt,14.0,A4B3_cP14_223_e_c:O-Pt +mp-601193,Pt3O4,-5.1891454171,0.2394481264,1.0669578871,1.0344064,GGA,Im-3m,A4B3_cI14_229_c_b:O-Pt,7.0,A4B3_cI14_229_c_b:O-Pt +mp-1285,PtO2,-6.2489549,-0.9274513192,0.0,-0.2164375787,GGA,Pnnm,A2B_oP6_58_g_a:O-Pt,6.0,A2B_oP6_58_g_a:O-Pt +mp-1077716,PtO2,-6.208511225,-0.8870076442,0.040443675,-0.1759939037,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Pt,6.0,A2B_tP6_136_f_a:O-Pt +mp-617,PtO2,-6.2441543,-0.9226507192,0.0048005999999999,-0.2116369787,GGA,P-3m1,A2B_hP3_164_d_a:O-Pt,3.0,A2B_hP3_164_d_a:O-Pt +mp-7868,PtO2,-6.2443315317,-0.9228279508,0.0046233683,-0.2118142103,GGA,P6_3mc,A2B_hP6_186_ab_b:O-Pt,6.0,A2B_hP6_186_ab_b:O-Pt +mp-1095224,PtO2,-6.1638439717,-0.8423403908,0.0851109283,-0.1313266503,GGA,Pa-3,A2B_cP12_205_c_a:O-Pt,12.0,A2B_cP12_205_c_a:O-Pt +mp-20119,PtO2,-5.4552852783,-0.1337816975,0.7936696217,0.5772320430000001,GGA,Pn-3m,A2B_cP6_224_b_a:O-Pt,6.0,A2B_cP6_224_b_a:O-Pt +mp-1206845,Pt2O,-5.7434445400000005,-0.0471260896,0.4355879375,0.4355879375,GGA,Pn-3m,AB2_cP6_224_a_b:O-Pt,6.0,AB2_cP6_224_a_b:O-Pt +mp-23415,TlFeI3,-3.493837328,-0.4432846467,0.147246788,0.147246788,GGA,Pnma,AB3C_oP20_62_c_3c_c:Fe-I-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_10c_c:Fe-I-Tl, expected TlFeI10 to be TlFeI3" +mp-2251,Li3N,-3.9726083975,-0.4567925163,0.0,-0.3187456908,GGA,P6/mmm,A3B_hP4_191_bc_a:Li-N,4.0,A3B_hP4_191_bc_a:Li-N +mp-2341,Li3N,-3.9611918675,-0.4453759863,0.01141653,-0.3073291608,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Li-N,8.0,A3B_hP8_194_bf_c:Li-N +mp-2659,LiN3,-7.1317641875,-0.4021622771,0.0,-0.249898105,GGA,C2/m,AB3_mC8_12_a_di:Li-N,4.0,AB3_mC8_12_a_ci:Li-N +mp-1029517,Li7BiN4,-4.5630820964000005,-0.350671355,0.1162830578,0.1162830578,GGA,P-43n,AB7C4_cP96_218_ac_bdefi_ei:Bi-Li-N,96.0,AB7C4_cP96_218_ac_bdefi_ei:Bi-Li-N +mp-1180489,LiN,-4.121805935,1.0009029608,1.4303803575,1.4303803575,GGA,I-42m,AB_tI16_121_ce_i:Li-N,8.0,AB_cF8_216_a_c:Li-N +mp-1059612,LiN,-4.12182541,1.0008834858,1.4303608825,1.4303608825,GGA,F-43m,AB_cF8_216_a_c:Li-N,2.0,AB_cF8_216_a_c:Li-N +mp-1247474,Li3BiN2,-4.4305188275,-0.0571442308,0.4067091853,0.4067091853,GGA,I4_1/amd,AB3C2_tI48_141_e_eg_h:Bi-Li-N,24.0,AB3C2_tI48_141_e_eg_h:Bi-Li-N +mp-1246199,Li3BiN2,-4.5426472898,-0.1692726931,0.294580723,0.294580723,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Bi-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Bi-Li-N +mp-1062345,Li2N,-4.23550932,-0.1840624339,0.2636250425,0.2636250425,GGA,Fm-3m,A2B_cF12_225_c_a:Li-N,3.0,A2B_cF12_225_c_a:Li-N +mp-1222421,Li3N2,-4.161033358,0.318918332,0.7593217765,0.7593217765,GGA,P-4m2,A3B2_tP5_115_abc_g:Li-N,5.0,A3B2_tP5_115_abc_g:Li-N +mp-778355,BaYBr5,-4.7403671496,-2.4331403349,0.0562673032,0.0562673032,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Br-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_5e:Ba-Br-Y, expected Ba7Y5Br39 to be BaYBr5" +mp-776795,BaYBr5,-4.7348833664,-2.4276565517,0.0617510864,0.0617510864,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ba-Br-Y,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_19e_e:Ba-Br-Y, expected BaYBr19 to be BaYBr5" +mp-768416,BaYBr5,-4.7114511946,-2.4042243799,0.0851832582,0.0851832582,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Br-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_5e_39e_7e:Ba-Br-Y, expected Ba5Y7Br39 to be BaYBr5" +mp-753663,BaYBr5,-4.7397121929,-2.4324853781,0.05692226,0.05692226,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-Br-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-Br-Y, expected BaYBr16 to be BaYBr5" +mp-754021,BaYBr5,-4.7342821186,-2.4270553038,0.0623523343,0.0623523343,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-Br-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e5f_e:Ba-Br-Y, expected BaYBr12 to be BaYBr5" +mp-768402,Ba3Y2Br12,-4.6545679729,-2.4589087373,0.0564850365,0.0564850365,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-Br-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_7e:Ba-Br-Y, expected Ba9Y7Br45 to be Ba3Y2Br12" +mp-777292,Ba3Y2Br12,-4.644082925,-2.4484236893,0.0669700844,0.0669700844,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-Br-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_11e_47e_3e:Ba-Br-Y, expected Ba11Y3Br47 to be Ba3Y2Br12" +mp-768399,Ba3Y2Br12,-4.6402495174,-2.4445902817,0.0708034921,0.0708034921,GGA,C2/c,A3B12C2_mC68_15_ef_6f_f:Ba-Br-Y,34.0,"Invalid WP multiplicities - A3B12C2_mC68_15_2e3f_23f_f:Ba-Br-Y, expected Ba4YBr23 to be Ba3Y2Br12" +mp-1183333,Ba3Y,-2.826103115,0.2297458683,0.2297458683,0.2297458683,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Y,4.0,A3B_tI8_139_ad_b:Ba-Y +mp-1183355,Ba3Y,-2.8411298863,0.2147190971,0.2147190971,0.2147190971,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Y,8.0,A3B_hP8_194_h_c:Ba-Y +mp-777481,Ba6YBr15,-4.3656489105,-2.4894786512,0.1003299655,0.1003299655,GGA,P2_1/c,A6B15C_mP88_14_6e_15e_e:Ba-Br-Y,88.0,"Invalid WP multiplicities - A6B15C_mP88_14_21e_57e_e:Ba-Br-Y, expected Ba21YBr57 to be Ba6YBr15" +mp-777731,Ba6YBr15,-4.404464422,-2.5282941628,0.0615144539,0.0615144539,GGA,C2/c,A6B15C_mC176_15_6f_15f_f:Ba-Br-Y,88.0,"Invalid WP multiplicities - A6B15C_mC176_15_19f_57f_f:Ba-Br-Y, expected Ba19YBr57 to be Ba6YBr15" +mp-865534,YBr2,-5.1513062083,-1.9604636172,0.155739485,0.155739485,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Y,6.0,A2B_tP6_136_f_a:Br-Y +mp-754815,YBr3,-5.1603555875,-2.3789665617,0.0,-0.9086188487,GGA,C2/m,A3B_mC16_12_ij_g:Br-Y,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:Br-Y, expected YBr5 to be YBr3" +mp-865605,YBr3,-5.0991507213,-2.3177616954,0.0612048662,-0.8474139825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Y,8.0,A3B_hP8_194_h_c:Br-Y +mp-753942,BaY3Br11,-4.892656802,-2.3325434747,0.097962256,0.097962256,GGA,Pmma,AB11C3_oP30_51_e_b3ef2ij_ai:Ba-Br-Y,30.0,"Invalid WP multiplicities - AB11C3_oP30_51_e_b6e2f4i2j_a2i:Ba-Br-Y, expected BaY5Br21 to be BaY3Br11" +mp-861730,Ba5Y3Br19,-4.6131642733,-2.4464299656,0.0757009544,0.0757009544,GGA,P-1,A5B19C3_aP54_2_5i_ad18i_3i:Ba-Br-Y,54.0,"Invalid WP multiplicities - A5B19C3_aP54_2_9i_ad35i_5i:Ba-Br-Y, expected Ba9Y5Br36 to be Ba5Y3Br19" +mp-768373,Ba2YBr7,-4.6160598753,-2.4984979449,0.0350861238,0.0350861238,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-Br-Y, expected Ba7Y3Br27 to be Ba2YBr7" +mp-768378,Ba2YBr7,-4.5954466377,-2.4778847074,0.0556993613,0.0556993613,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_27e_e:Ba-Br-Y, expected Ba5YBr27 to be Ba2YBr7" +mp-752620,Ba2YBr7,-4.6298860505,-2.5123241202,0.0212599485,0.0212599485,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Br-Y, expected Ba5YBr25 to be Ba2YBr7" +mp-768385,Ba2YBr7,-4.5754407427,-2.4578788124,0.0757052563,0.0757052563,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Br-Y, expected Ba5YBr25 to be Ba2YBr7" +mp-768427,Ba2YBr7,-4.6069448625,-2.4893829322,0.0442011365,0.0442011365,GGA,C2/c,A2B7C_mC80_15_2f_7f_f:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_mC80_15_5f_27f_f:Ba-Br-Y, expected Ba5YBr27 to be Ba2YBr7" +mp-752677,Ba2YBr7,-4.5632077125,-2.4456457822,0.0879382865,0.0879382865,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Ba-Br-Y,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e9f_e:Ba-Br-Y, expected Ba2YBr20 to be Ba2YBr7" +mp-768341,Ba2YBr7,-4.553434549,-2.4358726187,0.09771145,0.09771145,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Ba-Br-Y,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_3c10d_c:Ba-Br-Y, expected Ba5YBr23 to be Ba2YBr7" +mp-1205567,Y2Br3,-5.424397778,-1.9059923347,0.0,-0.0028190853,GGA,C2/m,A3B2_mC20_12_3i_2i:Br-Y,10.0,A3B2_mC20_12_3i_2i:Br-Y +mp-1228459,Ba2Y,-3.1258372533,0.3089697444,0.3089697444,0.3089697444,GGA,I4mm,A2B_tI12_107_4a_2a:Ba-Y,,A2B_tI12_107_4a_2a:Ba-Y +mp-754116,BaY2Br8,-4.8272832714,-2.3476338344,0.1016134123,0.1016134123,GGA,C2/c,AB8C2_mC44_15_e_4f_f:Ba-Br-Y,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_15f_f:Ba-Br-Y, expected BaY2Br30 to be BaY2Br8" +mp-21621,Y6Te2Rh,-6.6607175147,-0.8329679218,0.0756919316,0.0756919316,GGA,Pnma,AB2C6_oP36_62_c_2c_6c:Rh-Te-Y,36.0,AB2C6_oP36_62_c_2c_6c:Rh-Te-Y +mp-697126,Ca4(H4Rh)3,-4.3031111679,-0.5753198168,0.0,-0.1399469897,GGA,Im-3m,A4B12C3_cI38_229_c_de_b:Ca-H-Rh,19.0,A4B12C3_cI38_229_c_de_b:Ca-H-Rh +mp-1183578,CaH3,-3.246763135,-0.2008186313,0.3046955012,0.3046955012,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-H,4.0,AB3_cF16_225_a_bc:Ca-H +mp-23713,CaH2,-3.6043695,-0.6740188433000001,0.0,-0.4955133933,GGA,Pnma,AB2_oP12_62_c_2c:Ca-H,12.0,AB2_oP12_62_c_2c:Ca-H +mp-1181926,CaH2,-3.5488672617,-0.618516605,0.0555022383,-0.440011155,GGA,Pnma,AB2_oP12_62_c_2c:Ca-H,12.0,AB2_oP12_62_c_2c:Ca-H +mp-1205322,CaH2,-3.548169355,-0.6178186983,0.056200145,-0.4393132483,GGA,Cmcm,AB2_oC12_63_c_ac:Ca-H,6.0,AB2_hP6_194_c_ad:Ca-H +mp-24809,CaH2,-3.5484644783,-0.6181138217000001,0.0559050217,-0.4396083717,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ca-H,6.0,AB2_hP6_194_c_ad:Ca-H +mp-685437,Ca22H51Rh11,-4.0755959012,-0.5260767080000001,0.0751068827,0.0751068827,GGA,P1,A22B51C11_aP84_1_22a_51a_11a:Ca-H-Rh,84.0,A22B51C11_aP84_1_22a_51a_11a:Ca-H-Rh +mp-24722,HRh,-5.40915989,-0.0306429325,0.0,-0.0306429325,GGA,Fm-3m,AB_cF8_225_a_b:H-Rh,2.0,AB_cF8_225_a_b:H-Rh +mp-1079702,Cr3GaP4,-6.6886766725,0.0163793849,0.5228366078,0.5228366078,GGA,P-43m,A3BC4_cP8_215_c_a_e:Cr-Ga-P,8.0,A3BC4_cP8_215_c_a_e:Cr-Ga-P +mp-505626,Cr12P7,-8.4950656363,-0.4040294686,0.0298737979,0.0298737979,GGA,P-6,A12B7_hP19_174_2j2k_ajk:Cr-P,19.0,A12B7_hP19_174_2j2k_ajk:Cr-P +mp-1184292,Ga3P,-3.481398095,0.1429995485,0.3479226737,0.3479226737,GGA,I4/mmm,A3B_tI8_139_ad_b:Ga-P,4.0,A3B_tI8_139_ad_b:Ga-P +mp-1184212,Ga3P,-3.4720000775,0.152397566,0.3573206912,0.3573206912,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-P,4.0,A3B_cP4_221_c_a:Ga-P +mp-971648,GaP,-4.14858559,0.0721136746,0.481959925,0.0721136746,GGA,Imm2,AB_oI4_44_a_b:Ga-P,2.0,AB_oI4_44_a_b:Ga-P +mp-971631,GaP,-4.05688534,0.1638139246,0.573660175,0.1638139246,GGA,P4/mmm,AB_tP2_123_a_b:Ga-P,2.0,AB_tP2_123_a_b:Ga-P +mp-1018275,GaP,-4.4963450475,-0.2756457829,0.1342004675,-0.2756457829,GGA,R-3m,AB_hR12_166_c_c:Ga-P,4.0,AB_hR12_166_c_c:Ga-P +mp-8882,GaP,-4.619785785,-0.3990865204,0.01075973,-0.3990865204,GGA,P6_3mc,AB_hP4_186_b_b:Ga-P,4.0,AB_hP4_186_b_b:Ga-P +mp-971632,GaP,-4.4610128381,-0.2403135735,0.1695326769,-0.2403135735,GGA,Pa-3,AB_cP16_205_c_c:Ga-P,16.0,AB_cP16_205_c_c:Ga-P +mp-2490,GaP,-4.630545515,-0.4098462504,0.0,-0.4098462504,GGA,F-43m,AB_cF8_216_a_c:Ga-P,2.0,AB_cF8_216_a_c:Ga-P +mp-7302,CrP4,-6.542777995,-0.2815264957,0.0,-0.0250073843,GGA,C2/c,AB4_mC20_15_e_2f:Cr-P,10.0,"Invalid WP multiplicities - AB4_mC20_15_e_3f:Cr-P, expected CrP6 to be CrP4" +mp-29184,Cr2P,-8.6336352939,-0.393836145,0.0121317578,0.0121317578,GGA,Imm2,A2B_oI36_44_ab2cde_abe:Cr-P,18.0,A2B_oI36_44_ab2cde_abe:Cr-P +mp-7291,CrP2,-7.25408268,-0.4275318522,0.0,-0.0317234078,GGA,C2/m,AB2_mC12_12_i_2i:Cr-P,6.0,AB2_mC12_12_i_2i:Cr-P +mp-1018079,CrGaP2,-5.9655529175,-0.088615791,0.3856377744,0.3856377744,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cr-Ga-P,4.0,ABC2_tP4_115_a_c_g:Cr-Ga-P +mp-1106199,CrGa7P8,-4.9465090569,-0.3117503268,0.1141977523,0.1141977523,GGA,P-42m,AB7C8_tP16_111_a_bcdm_2n:Cr-Ga-P,16.0,AB7C8_tP16_111_a_bcdm_2n:Cr-Ga-P +mp-21048,CrP,-8.0718358688,-0.5386608804,0.0,-0.1242627132,GGA,Pnma,AB_oP8_62_c_c:Cr-P,8.0,AB_oP8_62_c_c:Cr-P +mp-985440,CrGa3P4,-5.2784412475,-0.229623052,0.2124268559,0.2124268559,GGA,P-43m,AB3C4_cP8_215_a_c_e:Cr-Ga-P,8.0,AB3C4_cP8_215_a_c_e:Cr-Ga-P +mp-7806,Cr3P,-8.9327326431,-0.339621414,0.0,-0.0442443052,GGA,I-4,A3B_tI32_82_3g_g:Cr-P,16.0,A3B_tI32_82_3g_g:Cr-P +mp-23202,InI,-2.7940138375,-0.6814887975,0.0,-0.0814890488,GGA,Cmcm,AB_oC8_63_c_c:I-In,4.0,AB_oC8_63_c_c:I-In +mp-675332,InI4,-2.304183876,-0.57515405,0.0815423265,0.0815423265,GGA,Fm-3c,A4B_cF120_226_i_c:I-In,30.0,A4B_cF120_226_i_c:I-In +mp-29312,InI2,-2.6994718083,-0.7999996650000001,0.0,-0.0255897521,GGA,Pnna,A2B_oP24_52_2e_cd:I-In,24.0,A2B_oP24_52_2e_cd:I-In +mp-567789,InI3,-2.6138161656000003,-0.8208704706000001,0.0,-0.161399315,GGA,P2_1/c,A3B_mP16_14_3e_e:I-In,16.0,"Invalid WP multiplicities - A3B_mP16_14_11e_e:I-In, expected InI11 to be InI3" +mp-1223696,InI2Br,-2.7869487325,-0.9740875425,0.0077725992,0.0077725992,GGA,P1,AB2C_aP8_1_2a_4a_2a:Br-I-In,8.0,AB2C_aP8_1_2a_4a_2a:Br-I-In +mp-1184879,IBr2,-1.89768238,-0.3712080433,0.0,-0.3712080433,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-I,6.0,A2B_tP6_136_f_a:Br-I +mp-1093950,Y2CoIr,-4.8892883575,2.3306351929,2.899114905,2.899114905,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ir-Y,4.0,ABC2_oI8_71_a_b_e:Co-Ir-Y +mp-1219565,RbO2,-3.59385587,0.030781295,1.0038897867,0.8877348067,GGA,P4/mmm,A2B_tP3_123_bc_a:O-Rb,3.0,A2B_tP3_123_bc_a:O-Rb +mp-12105,RbO2,-4.5977456567,-0.9731084917,0.0,-0.11615498,GGA,I4/mmm,A2B_tI6_139_e_a:O-Rb,3.0,A2B_tI6_139_e_a:O-Rb +mp-33234,RbO2,-3.5626525383,0.0619846267,1.0350931183,0.9189381383,GGA,I4_1/amd,A2B_tI12_141_e_a:O-Rb,6.0,A2B_tI12_141_e_a:O-Rb +mp-1188205,Rb2O3,-4.370540364,-1.0103135083,0.06700347,0.06700347,GGA,I-42d,A3B2_tI40_122_ce_e:O-Rb,20.0,A3B2_tI40_122_ce_e:O-Rb +mp-2571,Rb2O3,-4.3848314965,-1.0246046408,0.0527123375,0.0527123375,GGA,I-43d,A3B2_cI40_220_d_c:O-Rb,20.0,A3B2_cI40_220_d_c:O-Rb +mp-27561,Rb9O2,-2.3597643182,-0.6581112205,0.0,-0.0157565708,GGA,P2_1/m,A2B9_mP22_11_2e_3e3f:O-Rb,22.0,A2B9_mP22_11_2e_3e3f:O-Rb +mp-1206677,Rb2O2,-3.89616132,-0.9325499281,0.30107978,0.1329251491,GGA,P2_1/m,AB_mP4_11_e_e:O-Rb,4.0,AB_mP4_11_e_e:O-Rb +mp-1206669,Rb2O2,-3.91696683,-0.9533554381,0.28027427,0.1121196391,GGA,Cmcm,AB_oC8_63_c_c:O-Rb,4.0,AB_oC8_63_c_c:O-Rb +mp-7895,Rb2O2,-4.1972411,-1.2336297081,0.0,-0.1681546309,GGA,Immm,AB_oI8_71_e_g:O-Rb,4.0,AB_oI8_71_e_g:O-Rb +mp-1209332,Rb2O2,-3.86300166,-0.8993902681,0.33423944,0.1660848091,GGA,Fm-3m,AB_cF8_225_a_b:O-Rb,2.0,AB_cF8_225_a_b:O-Rb +mp-755459,Rb2O,-3.4180918267,-1.1155062079,0.0180862633,-0.1833385648,GGA,P2_1/c,AB2_mP6_14_a_e:O-Rb,6.0,AB2_mP6_14_a_e:O-Rb +mp-1101405,Rb2O,-3.4199683083,-1.1173826896,0.0162097817,-0.1852150464,GGA,Pnnm,AB2_oP6_58_a_g:O-Rb,6.0,AB2_oP6_58_a_g:O-Rb +mp-776890,Rb2O,-3.4221075917,-1.1195219729,0.0140704983,-0.1873543298,GGA,Pbca,AB2_oP24_61_c_2c:O-Rb,24.0,"Invalid WP multiplicities - AB2_oP24_61_c_5c:O-Rb, expected Rb5O to be Rb2O" +mp-755738,Rb2O,-3.4042264317,-1.1016408129,0.0319516583,-0.1694731698,GGA,Pnma,AB2_oP12_62_c_2c:O-Rb,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_5c:O-Rb, expected Rb5O to be Rb2O" +mp-776922,Rb2O,-3.4336029778,-1.131017359,0.0025751122,-0.1988497159,GGA,P3,AB2_hP9_143_abc_2d:O-Rb,9.0,"Invalid WP multiplicities - AB2_hP9_143_abc_5d:O-Rb, expected Rb5O to be Rb2O" +mp-1394,Rb2O,-3.4330085033,-1.1304228846,0.0031695867,-0.1982552414,GGA,Fm-3m,AB2_cF12_225_a_c:O-Rb,3.0,AB2_cF12_225_a_c:O-Rb +mp-753746,Rb2O,-3.43617809,-1.1335924712,0.0,-0.2014248281,GGA,R-3m,AB2_hR9_166_a_c:O-Rb,3.0,AB2_hR9_166_a_c:O-Rb +mp-1220248,Rb16O3,-2.1054412139,-0.4986721985,0.0728454403,0.0728454403,GGA,F222,A3B16_oF152_22_efg_cd2ef6k:O-Rb,38.0,A3B16_oF152_22_efg_cd2ef6k:O-Rb +mp-1806,RbO3,-4.6025396519,-0.6473896003,0.0824417684,0.0824417684,GGA,P2_1/c,A3B_mP16_14_3e_e:O-Rb,16.0,A3B_mP16_14_3e_e:O-Rb +mp-975463,RbAcO3,-6.215895894,-2.2275408513,0.180333471,0.180333471,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ac-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ac-O-Rb +mp-540855,Rb6O,-2.063163945,-0.5160363527,0.0010510348,0.0010510348,GGA,P6_3/m,AB6_hP28_176_f_bfhi:O-Rb,28.0,AB6_hP28_176_f_bfhi:O-Rb +mp-779582,Rb19O3,-1.9723833014,-0.4510099599,0.0425734554,0.0425734554,GGA,Fm-3c,A3B19_cF176_226_d_bfi:O-Rb,44.0,"Invalid WP multiplicities - A3B19_cF176_226_d_2b6f6i:O-Rb, expected Rb110O3 to be Rb19O3" +mp-865596,YLu3,-5.0042708112,0.0030598571,0.0030598571,0.0030598571,GGA,P6_3/mmc,A3B_hP8_194_h_c:Lu-Y,8.0,A3B_hP8_194_h_c:Lu-Y +mp-866158,YLuMg2,-3.6222068875,-0.0752114542,0.0032109075,0.0032109075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Mg-Y,4.0,AB2C_cF16_225_a_c_b:Lu-Mg-Y +mp-1187801,Y3Lu,-5.975449515,0.00464145,0.00464145,0.00464145,GGA,P6_3/mmc,AB3_hP8_194_c_h:Lu-Y,8.0,AB3_hP8_194_c_h:Lu-Y +mp-541951,Zr3P3Pd4,-7.3029962403,-1.0427425752,0.0,-0.0332334894,GGA,Pnma,A3B4C3_oP40_62_3c_4c_3c:P-Pd-Zr,40.0,A3B4C3_oP40_62_3c_4c_3c:P-Pd-Zr +mp-29932,Zr5P7Pd9,-6.993928919,-0.9343785863,0.0,-0.0131057598,GGA,Amm2,A7B9C5_oC42_38_ad2e_b2d2e_ade:P-Pd-Zr,21.0,"Invalid WP multiplicities - A7B9C5_oC42_38_ad4e_b3d2e_ade:P-Pd-Zr, expected Zr5(PPd)11 to be Zr5P7Pd9" +mp-1072629,PuB2Ru3,-9.6616504067,-0.4200121581,0.0,-0.1068561746,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Pu-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Pu-Ru +mp-1189387,PuB2Ru,-9.6949900781,-0.4697339752,0.0,-0.0191569822,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Pu-Ru,16.0,A2BC_oP16_62_d_c_c:B-Pu-Ru +mp-1191620,PuB4Ru,-8.9129050108,-0.5362703519,0.0,-0.0622079872,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Pu-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Pu-Ru +mp-1101964,PuB4Ru,-8.91185475,-0.5352200911,0.0010502608,-0.0611577264,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Pu-Ru,12.0,A4BC_oC24_65_gip_h_j:B-Pu-Ru +mp-1201055,Pu2B6Ru,-9.1750654183,-0.52101766,0.0,-0.0231509012,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Pu-Ru,36.0,A6B2C_oP36_55_6h_2g_g:B-Pu-Ru +mp-1202529,Pu(BRu)4,-8.9183800142,-0.2424893949,0.1558287589,0.1558287589,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Pu-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Pu-Ru +mp-1246628,Zn3Bi3N5,-4.9111212327,0.2691672077,0.2836869168,0.2836869168,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Zn,22.0,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Zn +mp-1247203,Zn2BiN3,-4.993094955,0.2351485658,0.2528948769,0.2528948769,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Bi-N-Zn,12.0,AB3C2_oC24_36_a_ab_b:Bi-N-Zn +mp-10120,NdBPd3,-5.955176358,-0.5577394313,0.1113346617,0.1113346617,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Nd-Pd,5.0,ABC3_cP5_221_b_a_c:B-Nd-Pd +mp-1204171,Tb2N3,-7.5388536767,-0.6832102818,0.7854618003,0.7854618003,GGA,Ia-3,A3B2_cI80_206_e_ad:N-Tb,40.0,A3B2_cI80_206_e_ad:N-Tb +mp-1018638,Tb3AlN,-6.170636602,-0.973602791,0.0,-0.0699494505,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-N-Tb,5.0,ABC3_cP5_221_a_b_c:Al-N-Tb +mp-2117,TbN,-8.321270615,-1.8358401025,0.0,-1.266498201,GGA,Fm-3m,AB_cF8_225_a_b:N-Tb,2.0,AB_cF8_225_a_b:N-Tb +mp-1207822,Y4MgIr,-6.4757421783,-0.4249757311,0.0,-0.0088348621,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ir-Mg-Y,24.0,ABC4_cF96_216_e_e_efg:Ir-Mg-Y +mp-1096320,Y2MgIr,-3.79448092,2.0484331942,2.5982783581,2.5982783581,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mg-Y,4.0,ABC2_oI8_71_a_b_e:Ir-Mg-Y +mp-1207698,Y(Al5Ru)2,-5.3247712004,-0.5193070086,0.0,-0.0333619146,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Y,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Y +mp-1096091,Y2AlRu,-4.170228065,2.3180020842,2.7658558182,2.7658558182,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Al-Ru-Y +mp-1187765,Y2AlRu,-6.8439497875,-0.3557196383,0.0921340957,0.0921340957,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Al-Ru-Y +mp-542758,Fe23B6,-8.26883635,-0.1692901964,0.0215678038,0.0215678038,GGA,Fm-3m,A6B23_cF116_225_e_acfh:B-Fe,29.0,A6B23_cF116_225_e_acfh:B-Fe +mp-977395,YbFeB4,-6.5824954496,-0.4612960207,0.0,-0.0414889506,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Yb,,A4BC_oP24_55_4h_g_g:B-Fe-Yb +mp-1101938,FeB2,-7.5723151258,-0.2960468753,0.0,-0.0302020048,GGA,Pnma,A2B_oP12_62_d_c:B-Fe,12.0,A2B_oP12_62_d_c:B-Fe +mp-569376,FeB2,-7.32772714,-0.0514588894,0.2445879858,0.214385981,GGA,P6/mmm,A2B_hP3_191_c_b:B-Fe,3.0,A2B_hP3_191_c_b:B-Fe +mp-973682,Fe3B,-8.2358264794,-0.2134626292,0.0171574544,0.0171574544,GGA,Pnma,AB3_oP16_62_c_cd:B-Fe,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_3c2d:B-Fe, expected Fe7B to be Fe3B" +mp-1181327,Fe3B,-8.224003545,-0.2016396948,0.0289803887,0.0289803887,GGA,I-4,AB3_tI32_82_g_3g:B-Fe,16.0,AB3_tI32_82_g_3g:B-Fe +mp-1080698,Fe3B,-7.9916086525,0.0307551977,0.2613752813,0.2613752813,GGA,P6_322,AB3_hP8_182_c_g:B-Fe,8.0,AB3_hP8_182_c_g:B-Fe +mp-1079437,FeB4,-7.208300637,-0.1707829783,0.0068451468,0.0068451468,GGA,Pnnm,A4B_oP10_58_2g_a:B-Fe,10.0,A4B_oP10_58_2g_a:B-Fe +mp-1194531,Fe2B7,-7.2673529633,-0.1900435394,0.0073210442,0.0073210442,GGA,Pbam,A7B2_oP72_55_7g7h_2g2h:B-Fe,72.0,A7B2_oP72_55_7g7h_2g2h:B-Fe +mp-1196806,Yb2Fe14B,-7.5703334143,-0.0209860454,0.0332775037,0.0332775037,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Yb,,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Yb +mp-568748,Fe2B,-7.807034,0.0661107303,0.373604175,0.3349347721,GGA,P4/mmm,AB2_tP3_123_a_e:B-Fe,3.0,AB2_tP3_123_a_e:B-Fe +mp-1915,Fe2B,-8.180638175,-0.3074934447,0.0,-0.0386694029,GGA,I4/mcm,AB2_tI12_140_a_h:B-Fe,6.0,AB2_tI12_140_a_h:B-Fe +mp-1104794,Yb4(FeB2)3,-5.3774221977,0.1337199081,0.4682788874,0.4682788874,GGA,R-3m,A6B3C4_hR39_166_f_ac_2c:B-Fe-Yb,,A6B3C4_hR39_166_f_ac_2c:B-Fe-Yb +mp-20787,FeB,-7.946269135,-0.3715626446,0.0079842225,-0.0697924846,GGA,Pnma,AB_oP8_62_c_c:B-Fe,8.0,AB_oP8_62_c_c:B-Fe +mp-1007881,FeB,-7.94840403,-0.3736975396,0.0058493275,-0.0719273796,GGA,Cmcm,AB_oC8_63_c_c:B-Fe,4.0,AB_oC8_63_c_c:B-Fe +mp-1189845,FeB,-7.6059313875,-0.0312248971,0.34832197,0.2705452629,GGA,P4_2/ncm,AB_tP16_138_i_i:B-Fe,16.0,AB_tP16_138_i_i:B-Fe +mp-1080525,FeB,-7.9542533575,-0.3795468671,0.0,-0.0777767071,GGA,I4_1/amd,AB_tI16_141_e_e:B-Fe,8.0,AB_tI16_141_e_e:B-Fe +mp-1147745,CsSiI3,-3.117877412,-0.9697135216,0.1051117493,0.1051117493,GGA,R3m,AB3C_hR15_160_a_b_a:Cs-I-Si,5.0,AB3C_hR15_160_a_b_a:Cs-I-Si +mp-29109,SiI3,-3.1556441463,-0.6942898763,0.000439915,-0.0183689909,GGA,Pnma,A3B_oP32_62_2c2d_2c:I-Si,32.0,A3B_oP32_62_2c2d_2c:I-Si +mp-1078195,SiI3,-3.1560840613,-0.6947297912,0.0,-0.0188089059,GGA,R-3,A3B_hR24_148_f_c:I-Si,8.0,A3B_hR24_148_f_c:I-Si +mp-635441,SiI4,-2.9847389638,-0.7209822778,0.0,-0.1651984447,GGA,Pa-3,A4B_cP40_205_cd_c:I-Si,40.0,"Invalid WP multiplicities - A4B_cP40_205_8c9d_c:I-Si, expected SiI35 to be SiI4" +mp-541053,SiI2,-3.3823431533,-0.5916595767,0.0258780156,0.0258780156,GGA,P2_1/c,A2B_mP60_14_10e_5e:I-Si,60.0,A2B_mP60_14_10e_5e:I-Si +mp-20985,TaPbS2,-7.083652135,-1.1228210266,0.0,-0.0010370775,GGA,P6_3/mmc,AB2C_hP8_194_a_e_c:Pb-S-Ta,8.0,AB2C_hP8_194_a_e_c:Pb-S-Ta +mp-20784,Ta3PbS6,-7.756608655,-1.3461407389,0.0,-0.0623966778,GGA,P6_3/mcm,AB6C3_hP20_193_b_k_ac:Pb-S-Ta,20.0,AB6C3_hP20_193_b_k_ac:Pb-S-Ta +mp-558229,La10S19,-6.6626360597000005,-2.2504768003,0.0,-0.0011335045,GGA,P4_2/n,A10B19_tP58_86_e2g_ae4g:La-S,58.0,"Invalid WP multiplicities - A10B19_tP58_86_4e11g_2a4e24g:La-S, expected La26S53 to be La10S19" +mp-1068462,LaS,-4.281959175,0.2542693109,2.668877795,2.3969891519,GGA,Pmm2,AB_oP4_25_e_e:La-S,4.0,AB_tP4_123_g_g:La-S +mp-2350,LaS,-6.95083697,-2.4146084841,0.0,-0.2718886431,GGA,Fm-3m,AB_cF8_225_a_b:La-S,2.0,AB_cF8_225_a_b:La-S +mp-557579,LaS,-6.671069435,-2.1348409491,0.279767535,0.0078788919,GGA,Cmce,AB_oC16_64_f_f:La-S,8.0,AB_oC16_64_f_f:La-S +mp-20215,LaS,-6.668891265,-2.1326627791,0.281945705,0.0100570619,GGA,P4/nmm,AB_tP4_129_c_c:La-S,4.0,AB_tP4_129_c_c:La-S +mp-1008998,LaS,-6.63122232,-2.0949938341,0.31961465,0.0477260069,GGA,Pm-3m,AB_cP2_221_a_b:La-S,2.0,AB_cP2_221_a_b:La-S +mp-1103658,LaS2,-6.6006319325,-2.1976629862,0.0006341425,-0.0222020793,GGA,P2_1/c,AB2_mP12_14_e_2e:La-S,12.0,AB2_mP12_14_e_2e:La-S +mp-1190691,LaS2,-6.6003294258,-2.1973604796,0.0009366492,-0.0218995726,GGA,Pna2_1,AB2_oP24_33_2a_4a:La-S,24.0,AB2_oP24_62_d_2cd:La-S +mp-1508,LaS2,-6.601266075,-2.1982971288,0.0,-0.0228362218,GGA,Pnma,AB2_oP24_62_d_2cd:La-S,24.0,AB2_oP24_62_d_2cd:La-S +mp-1018751,LaS2,-6.5046920183,-2.1017230721,0.0965740567,0.0737378349,GGA,P4/nmm,AB2_tP6_129_c_ac:La-S,6.0,AB2_tP6_129_c_ac:La-S +mp-973441,La(ErS2)3,-6.767322989,-2.4215367154000003,0.0,-0.013964859,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Er-La-S,20.0,"Invalid WP multiplicities - A3BC6_mP20_11_4e_e_6e:Er-La-S, expected La(Er2S3)2 to be La(ErS2)3" +mp-1200571,LaErS3,-6.8279995073,-2.4453844041,0.0032748331,0.0004283721,GGA,P2_1/m,ABC3_mP40_11_4e_4e_12e:Er-La-S,40.0,ABC3_mP40_11_4e_4e_12e:Er-La-S +mp-558977,LaErS3,-6.8312743403,-2.4486592372,0.0,-0.002846461,GGA,Pnma,ABC3_oP60_62_3c_3c_9c:Er-La-S,60.0,"Invalid WP multiplicities - ABC3_oP60_62_9c_10c_32c:Er-La-S, expected La10Er9S32 to be LaErS3" +mp-1223154,La4S7,-6.6805429327,-2.2533449793,0.0802754907,0.0802754907,GGA,I-42m,A4B7_tI22_121_i_aci:La-S,11.0,A4B7_tI22_121_i_aci:La-S +mp-32640,La5S8,-6.7749590369,-2.3309871554,0.0953704845,0.0953704845,GGA,I-4,A5B8_tI26_82_ag_2g:La-S,13.0,"Invalid WP multiplicities - A5B8_tI26_82_a2g_4g:La-S, expected La9S16 to be La5S8" +mp-1223103,La5S8,-6.6269435792,-2.1829716977,0.2433859422,0.2433859422,GGA,F-43m,A5B8_cF52_216_ae_2e:La-S,13.0,A5B8_cF52_216_ae_2e:La-S +mp-1223399,La5S7,-6.69994543,-2.2303467139,0.2507254483,0.2507254483,GGA,Cm,A5B7_mC48_8_4a3b_7b:La-S,24.0,"Invalid WP multiplicities - A5B7_mC48_8_4a3b_13b:La-S, expected La5S13 to be La5S7" +mp-1359313,La10(ErS3)9,-6.8608219554000005,-2.4661765914,0.0021150276,-0.0278549572,GGA,Cm,A9B10C27_mC92_8_9a_10a_27a:Er-La-S,46.0,A9B10C27_mC92_8_9a_10a_27a:Er-La-S +mp-669516,La10(ErS3)9,-6.862936983,-2.468291619,0.0,-0.0299699848,GGA,C2/m,A9B10C27_mC92_12_a4i_5i_c13i:Er-La-S,46.0,"Invalid WP multiplicities - A9B10C27_mC92_12_a5i_10i_c25i:Er-La-S, expected La20Er11S51 to be La10(ErS3)9" +mp-567,La3S4,-6.92793993,-2.4488226754,0.0227546757,0.0227546757,GGA,I-43d,A3B4_cI28_220_a_c:La-S,14.0,A3B4_cI28_220_a_c:La-S +mp-1199854,La4(ErS2)11,-6.7476098578,-2.3965062794,0.023231972,0.023231972,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Er-La-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Er-La-S +mp-7475,La2S3,-6.95063766,-2.4943648979,0.0,-0.1132131681,GGA,Pnma,A2B3_oP20_62_2c_3c:La-S,20.0,A2B3_oP20_62_2c_3c:La-S +mp-32906,La2S3,-6.9338792458,-2.4776064836,0.0167584142,-0.0964547539,GGA,I-42d,A2B3_tI80_122_cde_3e:La-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_13e:La-S, expected La9S13 to be La2S3" +mp-1446325,Ti(ZnN)2,-5.7826469320000005,-0.3650531147,0.458060547,0.458060547,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:N-Ti-Zn,10.0,A2BC2_mC20_12_2i_i_2i:N-Ti-Zn +mp-697075,Ti3Zn3N,-5.8814725932,-0.7668723354,0.0,-0.0199493413,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:N-Ti-Zn,28.0,AB3C3_cF112_227_c_f_de:N-Ti-Zn +mp-1014257,Ti3ZnN,-7.628054908,-0.971511991,0.0,-0.0290520227,GGA,Cmcm,AB3C_oC20_63_a_cf_c:N-Ti-Zn,10.0,AB3C_oC20_63_a_cf_c:N-Ti-Zn +mp-1016108,TiZnN2,-7.4859484463,-1.0288920771,0.0,-0.0670802867,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Ti-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Ti-Zn +mp-1246954,Ti(ZnN)4,-5.5470863156,-0.4048145204,0.0702171583,0.0702171583,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Ti-Zn,18.0,A4BC4_aP18_2_4i_i_4i:N-Ti-Zn +mp-1418945,Ti2ZnN2,-7.211890856,-0.4671473573,1.050455934,1.050455934,GGA,P-4m2,A2B2C_tP5_115_g_e_b:N-Ti-Zn,5.0,A2B2C_tP5_115_g_e_b:N-Ti-Zn +mp-1014227,Ti2ZnN,-7.5001357488,-1.1533301067,0.0,-0.0303781502,GGA,Cmcm,AB2C_oC16_63_c_2c_c:N-Ti-Zn,8.0,AB2C_oC16_63_c_2c_c:N-Ti-Zn +mp-1222833,LaGdC4,-9.4622135533,-0.1410816675,0.0346920731,0.0346920731,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Gd-La,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_a_c:C-Gd-La, expected LaGdC6 to be LaGdC4" +mp-624739,ScIr3C,-5.496298736,2.9189886915,3.4158633785,3.4158633785,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ir-Sc,5.0,AB3C_cP5_221_a_c_b:C-Ir-Sc +mp-1219408,Sc5Ir15C4,-8.7648282412,-0.3834315665,0.1341462325,0.1341462325,GGA,P4/mmm,A4B15C5_tP24_123_2g_ae2g2i_c2h:C-Ir-Sc,24.0,"Invalid WP multiplicities - A4B15C5_tP24_123_3g_a2e3g6i_c3h:C-Ir-Sc, expected Sc7Ir35C6 to be Sc5Ir15C4" +mp-570074,Sc3IrC4,-8.5950288294,-0.5012158963,0.001241696,0.001241696,GGA,C2/m,A4BC3_mC32_12_2j_i_ghi:C-Ir-Sc,16.0,"Invalid WP multiplicities - A4BC3_mC32_12_2j_i_2g2h2i:C-Ir-Sc, expected Sc6IrC4 to be Sc3IrC4" +mp-1092328,Sc3IrC4,-8.5928240988,-0.4990111656,0.0034464267,0.0034464267,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Ir-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Ir-Sc +mp-1025181,Tm2Cr2C3,-8.33096499,-0.3389989523,0.0,-0.0800462004,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Tm,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Tm +mp-1193698,Zr3Fe3C,-8.925621045,-0.3139309004,0.1085303088,0.1085303088,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Fe-Zr,28.0,AB3C3_cF112_227_c_de_f:C-Fe-Zr +mp-1226369,Cr3(MoC2)2,-9.6124411656,0.1170149011,0.2098162739,0.2098162739,GGA,R3m,A4B3C2_hR27_160_4a_3a_2a:C-Cr-Mo,9.0,A4B3C2_hR27_160_4a_3a_2a:C-Cr-Mo +mp-1193982,Cr22MoC6,-9.6500973986,-0.0437288674,0.0351307695,0.0351307695,GGA,Fm-3m,A6B22C_cF116_225_e_cfh_a:C-Cr-Mo,29.0,A6B22C_cF116_225_e_cfh_a:C-Cr-Mo +mp-641573,Cr21(MoC3)2,-9.7339643162,-0.086471556,0.0,-0.0153446835,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:C-Cr-Mo,29.0,A6B21C2_cF116_225_e_afh_c:C-Cr-Mo +mp-1226737,Ce2SeS,-7.0258098925,-2.1511749789,0.022866465,0.022866465,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Ce-S-Se,4.0,A2BC_tP4_123_ad_b_c:Ce-S-Se +mp-1097545,BeVRh2,-4.3676179975,2.5203656712,3.0173546612,3.0173546612,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Rh-V,4.0,AB2C_oI8_71_a_e_b:Be-Rh-V +mp-1221387,MoW,-11.90766013,-0.00576996,0.0,-0.00576996,GGA,Cmmm,AB_oC4_65_a_c:Mo-W,2.0,AB_oC4_65_a_c:Mo-W +mp-1103318,MoW11,-11.0705026333,1.7115875867,1.7125492467,1.7125492467,GGA,Pmmm,AB11_oP12_47_a_bj2w:Mo-W,12.0,AB11_oP12_47_a_bj2w:Mo-W +mp-1093600,TcMoW2,-6.9941997825,4.7864375963,4.7893225762,4.7893225762,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Tc-W,4.0,ABC2_oI8_71_a_b_e:Mo-Tc-W +mp-1093586,Hf2VTc,-6.0342627775,3.8054679912,4.047551155,4.047551155,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Tc-V,4.0,A2BC_oI8_71_e_a_b:Hf-Tc-V +mp-1101909,VCl5,-4.5283947592,-1.4739631975,0.0,-0.1088217029,GGA,P-1,A5B_aP12_2_5i_i:Cl-V,12.0,A5B_aP12_2_5i_i:Cl-V +mp-1420266,VCl5,-2.1182306558,0.9362009058,2.4101641033,2.3013424004,GGA,P-1,A5B_aP12_2_5i_i:Cl-V,12.0,A5B_aP12_2_5i_i:Cl-V +mp-28117,VCl3,-5.3564520575,-1.699073045,0.0,-0.0890441053,GGA,R-3,A3B_hR24_148_f_c:Cl-V,8.0,A3B_hR24_148_f_c:Cl-V +mp-570763,VCl4,-4.9298801255,-1.6342695835,0.00390021,-0.070262447,GGA,P2/c,A4B_mP20_13_4g_g:Cl-V,20.0,"Invalid WP multiplicities - A4B_mP20_13_14g_g:Cl-V, expected VCl14 to be VCl4" +mp-865511,VCl4,-4.8790840455,-1.5834735035,0.05469629,-0.019466367,GGA,P2/c,A4B_mP20_13_4g_g:Cl-V,20.0,A4B_mP20_13_4g_g:Cl-V +mp-1205372,VCl4,-4.9337803355,-1.6381697935,0.0,-0.074162657,GGA,P2_1/c,A4B_mP20_14_4e_e:Cl-V,20.0,A4B_mP20_14_4e_e:Cl-V +mp-631436,VOsCl,-6.7504139833,0.6361894033000001,1.4967781294,1.4967781294,GGA,F-43m,ABC_cF12_216_a_b_c:Cl-Os-V,3.0,ABC_cF12_216_a_b_c:Cl-Os-V +mp-22877,VCl2,-5.82345398,-1.5631275167,0.0,-0.0528403656,GGA,P-3m1,A2B_hP3_164_d_a:Cl-V,3.0,A2B_hP3_164_d_a:Cl-V +mp-20336,USn3,-5.9550013975,-0.1249700038,0.0,-0.0195120867,GGA,Pm-3m,A3B_cP4_221_c_a:Sn-U,4.0,A3B_cP4_221_c_a:Sn-U +mp-1205645,U3Sn7,-6.320672802,-0.1265495005,0.0,-0.0099108303,GGA,Cmmm,A7B3_oC20_65_cg2h_ag:Sn-U,10.0,A7B3_oC20_65_cg2h_ag:Sn-U +mp-1207038,USn2,-6.5376939733,-0.1008427333,0.0196806005,0.0196806005,GGA,Cmmm,A2B_oC12_65_acg_h:Sn-U,6.0,A2B_oC12_65_acg_h:Sn-U +mp-1208157,U5Sn4,-7.9498503567,0.10518714,0.1855360292,0.1855360292,GGA,P6_3/mcm,A4B5_hP18_193_bg_dg:Sn-U,18.0,A4B5_hP18_193_bg_dg:Sn-U +mp-972495,USn,-7.6078418,0.0426491325,0.1330416329,0.1330416329,GGA,P-6m2,AB_hP2_187_a_d:Sn-U,2.0,AB_hP2_187_a_d:Sn-U +mp-30419,USnAu2,-5.6911924975,-0.2290060312,0.0096954919,0.0096954919,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sn-U,4.0,A2BC_cF16_225_c_a_b:Au-Sn-U +mp-1071536,USnAu,-6.4244971983,-0.23287591,0.0,-0.0322152164,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-Sn-U,6.0,ABC_hP6_194_c_d_a:Au-Sn-U +mp-1188816,U3Sn4Au3,-6.118196689,-0.144780344,0.0704693943,0.0704693943,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Sn-U,20.0,A3B4C3_cI40_220_a_c_b:Au-Sn-U +mp-12072,UAu2,-6.22718939,-0.2807980533,0.0,-0.2807980533,GGA,P6/mmm,A2B_hP3_191_c_b:Au-U,3.0,A2B_hP3_191_c_b:Au-U +mp-1190279,Tb7RhI12,-4.3907711045,-1.516507766,0.0,-0.0547571462,GGA,R-3,A12BC7_hR60_148_2f_a_bf:I-Rh-Tb,20.0,A12BC7_hR60_148_2f_a_bf:I-Rh-Tb +mp-568627,Rb4TmI6,-3.15267422,-1.5855678733,0.0685182574,0.0685182574,GGA,R-3c,A6B4C_hR66_167_f_ae_b:I-Rb-Tm,22.0,"Invalid WP multiplicities - A6B4C_hR66_167_f_2a2e_b:I-Rb-Tm, expected Rb8TmI6 to be Rb4TmI6" +mp-1209348,Rb5(TmI4)3,-3.4010392695,-1.6005106279,0.0345489484,0.0345489484,GGA,P-62m,A12B5C3_hP20_189_2fk_cf_g:I-Rb-Tm,20.0,A12B5C3_hP20_189_2fk_cf_g:I-Rb-Tm +mp-1209132,RbTmI3,-3.3901987055,-1.4149049963,0.1586761907,0.1586761907,GGA,Pnma,A3BC_oP20_62_cd_c_a:I-Rb-Tm,20.0,A3BC_oP20_62_cd_c_a:I-Rb-Tm +mp-1209166,RbTmI3,-3.4936073215,-1.5183136123,0.0552675747,0.0552675747,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-Rb-Tm,20.0,A3BC_oP20_62_3c_c_c:I-Rb-Tm +mp-23302,RbI,-2.898515935,-1.6715657237,0.04960786,-0.93016737,GGA,Pm-3m,AB_cP2_221_a_b:I-Rb,2.0,AB_cP2_221_a_b:I-Rb +mp-22903,RbI,-2.948123795,-1.7211735837000002,0.0,-0.97977523,GGA,Fm-3m,AB_cF8_225_a_b:I-Rb,2.0,AB_cF8_225_a_b:I-Rb +mp-974745,Rb3Tm,-1.2208183125,0.6335410977,0.6335410977,0.6335410977,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Tm,4.0,A3B_tI8_139_ad_b:Rb-Tm +mp-1186877,Rb3Tm,-1.2215521225,0.6328072877,0.6328072877,0.6328072877,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Tm,4.0,A3B_cP4_221_c_a:Rb-Tm +mp-974748,Rb3Tm,-1.22787815,0.6264812602000001,0.6264812602000001,0.6264812602000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Tm,4.0,A3B_cF16_225_ac_b:Rb-Tm +mp-28328,RbI3,-2.4622558112,-1.1120975306,0.0,-0.2515107387,GGA,Pnma,A3B_oP16_62_3c_c:I-Rb,16.0,A3B_oP16_62_3c_c:I-Rb +mp-1207880,USnRh2,-8.0432036906,-0.5358042894,0.0014779765,0.0014779765,GGA,Pnma,A2BC_oP16_62_2c_c_c:Rh-Sn-U,16.0,A2BC_oP16_62_2c_c_c:Rh-Sn-U +mp-639876,U2SnRh2,-8.730553273,-0.46635175,0.0,-0.0122804437,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Rh-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Rh-Sn-U +mp-1150,URh3,-9.018801815,-0.67271841,0.0,-0.67271841,GGA,Pm-3m,A3B_cP4_221_c_a:Rh-U,4.0,A3B_cP4_221_c_a:Rh-U +mp-12717,U3Sn13Rh4,-5.982546968,-0.2097521867,0.0954610597,0.0954610597,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Rh-Sn-U,40.0,"Invalid WP multiplicities - A4B13C3_cP40_223_e_a2k_c:Rh-Sn-U, expected U3Sn25Rh4 to be U3Sn13Rh4" +mp-1079696,USnRh,-8.0128961289,-0.4577995506,0.0,-0.0474489889,GGA,P-62m,ABC_hP9_189_ad_g_f:Rh-Sn-U,9.0,ABC_hP9_189_ad_g_f:Rh-Sn-U +mp-1227380,Ca(YTe2)2,-5.6559236943,-1.7256714543,0.0098175096,0.0098175096,GGA,P2/m,AB4C2_mP7_10_c_mn_bd:Ca-Te-Y,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_b_2m2n_ce:Ca-Te-Y, expected Ca(YTe4)2 to be Ca(YTe2)2" +mp-1227075,CaY,-4.094462725,0.1415727717,0.1415727717,0.1415727717,GGA,Cmmm,AB_oC4_65_a_c:Ca-Y,2.0,AB_oC4_65_a_c:Ca-Y +mp-1183515,Ca3Y,-2.9882750375,0.1325426508,0.1325426508,0.1325426508,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-Y,4.0,A3B_tI8_139_ad_b:Ca-Y +mp-1183514,Ca3Y,-2.98958503,0.1312326583,0.1312326583,0.1312326583,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-Y,4.0,A3B_cP4_221_c_a:Ca-Y +mp-1183487,Ca3Y,-2.99825509,0.1225625983,0.1225625983,0.1225625983,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-Y,4.0,A3B_cF16_225_ac_b:Ca-Y +mp-1187878,YTmCd2,-3.524470335,-0.3274488208,0.0071652175,0.0071652175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Tm-Y +mp-1227227,CaCeN2,-7.55725935,-1.4043396288,0.0,-0.1339410558,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Ce-N,4.0,ABC2_tP4_123_a_d_bc:Ca-Ce-N +mp-532290,Zr3BiF15,-6.8146799728000005,-3.7538496816,0.0,-0.0063947955,GGA,P-1,AB15C3_aP76_2_2i_30i_6i:Bi-F-Zr,76.0,"Invalid WP multiplicities - AB15C3_aP76_2_3i_59i_11i:Bi-F-Zr, expected Zr11Bi3F59 to be Zr3BiF15" +mp-1215756,Zr3BiF15,-6.8120892597000005,-3.7512589686,0.002590713,-0.0038040825,GGA,C2/c,AB15C3_mC76_15_e_e7f_ef:Bi-F-Zr,38.0,"Invalid WP multiplicities - AB15C3_mC76_15_e_2e19f_ef:Bi-F-Zr, expected Zr3BiF40 to be Zr3BiF15" +mp-1182806,K4Fe,-1.1318889455,1.4504344541,1.4504344541,1.4504344541,GGA,I4_1/a,AB4_tI40_88_e_2f:Fe-K,20.0,AB4_tI40_88_e_2f:Fe-K +mp-1196434,K5Fe2Te5,-4.053197195,-0.8691499765,0.0056929671,0.0056929671,GGA,Pa-3,A2B5C5_cP144_205_d_ac2d_bc2d:Fe-K-Te,144.0,A2B5C5_cP144_205_d_ac2d_bc2d:Fe-K-Te +mp-1068789,K(FeTe)2,-5.322569734,-0.4551591033,0.1033640325,0.1033640325,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-K-Te,5.0,A2BC2_tI10_139_d_a_e:Fe-K-Te +mp-1097017,KFe,-3.7744912075,1.015718871,1.015718871,1.015718871,GGA,C2/c,AB_mC8_15_e_e:Fe-K,4.0,AB_mC8_15_e_e:Fe-K +mp-1195306,K7(FeTe2)4,-4.3215711987,-0.8058172715,0.0042013636,0.0042013636,GGA,Pbcn,A4B7C8_oP76_60_2d_c3d_4d:Fe-K-Te,76.0,A4B7C8_oP76_60_2d_c3d_4d:Fe-K-Te +mp-1194770,K7(FeTe2)4,-4.3204121882,-0.804658261,0.0053603741,0.0053603741,GGA,P4_2/nmc,A4B7C8_tP38_137_g_adf_2g:Fe-K-Te,38.0,A4B7C8_tP38_137_g_adf_2g:Fe-K-Te +mp-1215144,AsO3,-3.0733988431,1.8013972916,3.1676805198,3.1676805198,GGA,Fd-3m,AB3_cF128_227_e_g:As-O,32.0,AB3_cF128_227_e_g:As-O +mp-1105118,As2O3,-6.441547346,-1.6098867572,0.0199611695,-0.1797127885,GGA,P2_1,A2B3_mP20_4_4a_6a:As-O,20.0,A2B3_mP20_4_4a_6a:As-O +mp-1581,As2O3,-6.4615085155,-1.6298479267,0.0,-0.199673958,GGA,P2_1/c,A2B3_mP20_14_2e_3e:As-O,20.0,A2B3_mP20_14_2e_3e:As-O +mp-1582,As2O3,-6.4550552895,-1.6233947008,0.006453226,-0.193220732,GGA,P2_1/c,A2B3_mP20_14_2e_3e:As-O,20.0,A2B3_mP20_14_2e_3e:As-O +mp-1105631,As2O3,-5.3127115115,-0.4810509227,1.148797004,0.949123046,GGA,P2_1/c,A2B3_mP20_14_2e_3e:As-O,20.0,A2B3_mP20_14_2e_3e:As-O +mp-1194715,As2O3,-6.4578646865,-1.6262040977,0.003643829,-0.196030129,GGA,P2_1/c,A2B3_mP40_14_4e_6e:As-O,40.0,A2B3_mP40_14_4e_6e:As-O +mp-1195383,As2O3,-6.4553793432,-1.6237187544,0.0061291723,-0.1935447857,GGA,P2_1/c,A2B3_mP120_14_12e_18e:As-O,120.0,A2B3_mP120_14_12e_18e:As-O +mp-1106211,As2O3,-6.388643549,-1.5569829602,0.0728649665,-0.1268089915,GGA,Pccn,A2B3_oP20_56_e_ce:As-O,20.0,A2B3_oP20_56_e_ce:As-O +mp-1189365,As2O3,-6.4402883410000005,-1.6086277522,0.0212201745,-0.1784537835,GGA,P4_2/n,A2B3_tP20_86_g_eg:As-O,20.0,A2B3_tP20_86_g_eg:As-O +mp-2184,As2O3,-6.452127479,-1.6204668903,0.0093810365,-0.1902929215,GGA,Fd-3m,A2B3_cF80_227_e_f:As-O,20.0,A2B3_cF80_227_e_f:As-O +mp-5632,DyAsO4,-7.69269038,-2.850580365,0.0,-0.2687062831,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Dy-O,12.0,ABC4_tI24_141_a_b_h:As-Dy-O +mp-1182387,AsO2,-6.2813988308,-1.4305668883,0.1593919,0.1593919,GGA,P2_1/c,AB2_mP36_14_3e_6e:As-O,36.0,AB2_mP36_14_3e_6e:As-O +mp-27356,AsO2,-6.43991413,-1.5890821875,0.0008766008,0.0008766008,GGA,Pnma,AB2_oP24_62_2c_2cd:As-O,24.0,AB2_oP24_62_2c_2cd:As-O +mp-1213554,Dy(AsO)2,-6.1889627695,-1.425282555,0.8630345851000001,0.8630345851000001,GGA,I4_1/amd,A2BC2_tI40_141_h_c_h:As-Dy-O,20.0,A2BC2_tI40_141_h_c_h:As-Dy-O +mp-1182590,As2O9,-5.1809812202,-0.2865780192,0.7070825105,0.7070825105,GGA,P2_1/c,A2B9_mP44_14_2e_9e:As-O,44.0,A2B9_mP44_14_2e_9e:As-O +mp-1788,As2O5,-6.4258124346,-1.5612866680000002,0.0001798786,-0.1992162216,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:As-O,28.0,A2B5_oP28_19_2a_5a:As-O +mp-555434,As2O5,-6.4259923132,-1.5614665466000002,0.0,-0.1993961002,GGA,P4_12_12,A2B5_tP28_92_2a_a2b:As-O,28.0,"Invalid WP multiplicities - A2B5_tP28_92_5a_3a10b:As-O, expected As5O23 to be As2O5" +mp-1413546,As2O5,-6.4259912282,-1.5614654616,1.085e-06,-0.1993950152,GGA,P4_32_12,A2B5_tP28_96_2a_a2b:As-O,28.0,"Invalid WP multiplicities - A2B5_tP28_96_5a_3a10b:As-O, expected As5O23 to be As2O5" +mp-510350,SbN9,-7.650389555,0.2653560015,0.2653560015,0.2653560015,GGA,R-3,A9B_hR60_148_3f_c:N-Sb,20.0,A9B_hR60_148_3f_c:N-Sb +mp-1423059,SbN,-6.0098183625,0.22292972,0.22292972,0.22292972,GGA,P1,AB_aP4_1_2a_2a:N-Sb,4.0,AB_aP4_1_2a_2a:N-Sb +mp-1245014,SbN,-5.9893951181,0.2433529644,0.2433529644,0.2433529644,GGA,P1,AB_aP100_1_50a_50a:N-Sb,100.0,AB_aP100_1_50a_50a:N-Sb +mp-1245048,SbN,-6.0258497476,0.2068983349,0.2068983349,0.2068983349,GGA,P1,AB_aP100_1_50a_50a:N-Sb,100.0,AB_aP100_1_50a_50a:N-Sb +mp-1245252,SbN,-5.9996608507,0.2330872318,0.2330872318,0.2330872318,GGA,P1,AB_aP100_1_50a_50a:N-Sb,100.0,AB_aP100_1_50a_50a:N-Sb +mp-1245322,SbN,-6.0206969696,0.2120511129,0.2120511129,0.2120511129,GGA,P1,AB_aP100_1_50a_50a:N-Sb,100.0,AB_aP100_1_50a_50a:N-Sb +mp-1271276,SbN,-6.06112169,0.1716263925,0.1716263925,0.1716263925,GGA,Pca2_1,AB_oP8_29_a_a:N-Sb,8.0,AB_oP8_29_a_a:N-Sb +mp-1431697,SbN,-5.00595032,1.2267977625,1.2267977625,1.2267977625,GGA,Pm-3m,AB_cP2_221_a_b:N-Sb,2.0,AB_cP2_221_a_b:N-Sb +mp-1271281,Sb3N5,-6.3270269653,0.4316578278,0.4316578278,0.4316578278,GGA,Cmcm,A5B3_oC32_63_c2f_cf:N-Sb,32.0,A5B3_oC32_63_c2f_cf:N-Sb +mp-1247092,ReSbN,-8.1149550417,0.188386075,0.2778983061,0.2778983061,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Re-Sb,6.0,ABC_tP6_129_a_c_c:N-Re-Sb +mp-974417,Re3Sb,-9.7811170075,0.5845286913000001,0.5845286913000001,0.5845286913000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Re-Sb,4.0,A3B_cF16_225_ac_b:Re-Sb +mp-1216942,Tm5P12Ir19,-7.8873168764,-0.7965097481000001,0.0,-0.0735146505,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Tm,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Tm +mp-35659,HgPbF6,-3.9976919538,-2.0620417988,0.0,-0.0475487775,GGA,R-3,A6BC_hR24_148_f_a_b:F-Hg-Pb,8.0,A6BC_hR24_148_f_a_b:F-Hg-Pb +mp-1184923,K3Hf,-2.1793107425,1.1427857252,1.1427857252,1.1427857252,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-K,4.0,AB3_tI8_139_a_bd:Hf-K +mp-1184868,K3Hf,-2.141101545,1.1809949227,1.1809949227,1.1809949227,GGA,Pm-3m,AB3_cP4_221_a_c:Hf-K,4.0,AB3_cP4_221_a_c:Hf-K +mp-1184880,K3Hf,-2.194720865,1.1273756027,1.1273756027,1.1273756027,GGA,Fm-3m,AB3_cF16_225_a_bc:Hf-K,4.0,AB3_cF16_225_a_bc:Hf-K +mp-581963,K4Hf3Te17,-4.5952364979,-0.9390130369,0.0,-0.0160430103,GGA,P2_1/c,A3B4C17_mP96_14_3e_4e_17e:Hf-K-Te,96.0,"Invalid WP multiplicities - A3B4C17_mP96_14_10e_12e_60e:Hf-K-Te, expected K6(HfTe6)5 to be K4Hf3Te17" +mp-1096618,Ta2VIr,-6.2367483975,4.17272548,4.5534359292,4.5534359292,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Ta-V,4.0,AB2C_oI8_71_a_e_b:Ir-Ta-V +mp-1187195,Ta2VIr,-10.78669311,-0.3772192325,0.0034912167,0.0034912167,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Ta-V,4.0,AB2C_cF16_225_a_c_b:Ir-Ta-V +mp-1247450,Sr2CdN2,-4.726160792,-0.5311874887,0.0744723475,0.0744723475,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Cd-N-Sr,5.0,AB2C2_tI10_139_a_e_e:Cd-N-Sr +mp-1246818,Sr5CdN4,-4.7139807024,-0.4423470297,0.2024414991,0.2024414991,GGA,P2_1/m,AB4C5_mP80_11_2ef_4e6f_a5e7f:Cd-N-Sr,80.0,AB4C5_mP80_11_2ef_4e6f_a5e7f:Cd-N-Sr +mp-1445439,TeN2,-5.5146719767,1.0907599378,1.0907599378,1.0907599378,GGA,C2/m,A2B_mC12_12_2i_i:N-Te,6.0,A2B_mC12_12_2i_i:N-Te +mp-1061865,TeN2,-5.08338433,1.5220475844,1.5220475844,1.5220475844,GGA,Fm-3m,A2B_cF12_225_c_a:N-Te,3.0,A2B_cF12_225_c_a:N-Te +mp-1246540,Te3(Rh2N)2,-6.2286935131,-0.0553447342,0.2906674943,0.2906674943,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Rh-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Rh-Te +mp-1095321,WBr5,-4.4361672225,-0.9822885758,0.0114513189,0.0114513189,GGA,P-1,A5B_aP12_2_5i_i:Br-W,12.0,A5B_aP12_2_5i_i:Br-W +mp-1436789,WBr5,-3.4698202350000003,-0.0159415883,0.9777983064,0.9777983064,GGA,P-1,A5B_aP12_2_5i_i:Br-W,12.0,A5B_aP12_2_5i_i:Br-W +mp-29554,WBr5,-4.4358110475,-0.9819324008,0.0118074939,0.0118074939,GGA,C2/m,A5B_mC72_12_3i6j_gj:Br-W,36.0,"Invalid WP multiplicities - A5B_mC72_12_3i7j_gj:Br-W, expected W3Br17 to be WBr5" +mp-680048,RbW3Br7,-5.73612854,-1.1246628061,0.0,-0.0078805545,GGA,C2/c,A7BC3_mC88_15_7f_ae_3f:Br-Rb-W,44.0,A7BC3_mC88_15_7f_ae_3f:Br-Rb-W +mp-1186876,Rb3W,-2.43080643,1.5441266819,1.5441266819,1.5441266819,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-W,4.0,A3B_cF16_225_ac_b:Rb-W +mp-1078239,WBr4,-4.799515014,-0.965466304,0.0104925853,0.0104925853,GGA,C2/m,A4B_mC20_12_2ij_g:Br-W,10.0,A4B_mC20_12_2ij_g:Br-W +mp-29481,Rb2WBr6,-4.1798907678,-1.4868498394,0.0,-0.0228027233,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Rb-W,9.0,A6B2C_cF36_225_e_c_a:Br-Rb-W +mp-28483,WBr6,-4.1887692143,-1.0064406129,0.0,-0.1644789764,GGA,R-3,A6B_hR21_148_f_a:Br-W,7.0,A6B_hR21_148_f_a:Br-W +mp-1197907,W2Br5,-5.7257811282,-0.9141522554,0.0160840487,0.0160840487,GGA,P2_1/c,A5B2_mP56_14_10e_4e:Br-W,56.0,A5B2_mP56_14_10e_4e:Br-W +mp-28880,W3Br7,-5.8562052811,-0.8816463811,0.040969492,0.040969492,GGA,Pn-3,A7B3_cP80_201_e2h_h:Br-W,80.0,A7B3_cP80_201_e2h_h:Br-W +mp-29498,WBr2,-6.2595638311,-0.9048348678,0.0,-0.0516260961,GGA,Cmce,A2B_oC72_64_df2g_d2f:Br-W,36.0,"Invalid WP multiplicities - A2B_oC72_64_df3g_d2f:Br-W, expected W3Br8 to be WBr2" +mp-27765,W3Br8,-5.5380459691,-0.8745353027,0.0626286658,0.0626286658,GGA,Cmce,A8B3_oC88_64_4f2g_fg:Br-W,44.0,"Invalid WP multiplicities - A8B3_oC88_64_4f3g_fg:Br-W, expected W3Br10 to be W3Br8" +mp-35801,U12Ir4Se31,-7.1633619789,-1.2224276673,0.0368783808,0.0368783808,GGA,I4/mmm,A4B31C12_tI94_139_f_adimo_hn:Ir-Se-U,47.0,"Invalid WP multiplicities - A4B31C12_tI94_139_f_a2d3i8m11o_4h5n:Ir-Se-U, expected U56Ir4Se257 to be U12Ir4Se31" +mp-1102439,UOs2,-11.3398974317,-0.091182475,0.0,-0.091182475,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Os-U,12.0,A2B_hP12_194_ah_f:Os-U +mp-1085,UOs2,-11.3383928417,-0.089677885,0.00150459,-0.089677885,GGA,Fd-3m,A2B_cF24_227_c_b:Os-U,6.0,A2B_cF24_227_c_b:Os-U +mp-1208113,U4Os,-10.486373188,0.792228306,0.8195830485000001,0.8195830485000001,GGA,Fd-3m,AB4_cF40_227_a_e:Os-U,10.0,AB4_cF40_227_a_e:Os-U +mp-1189490,U4Ge6Os7,-9.2673092194,-0.3558163265,0.0,-0.1715289994,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Os-U,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Os-U +mp-1245615,NbTeN,-7.957982335,-0.7642803822,0.1798848916,0.1798848916,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Nb-Te,6.0,ABC_tP6_129_a_c_c:N-Nb-Te +mp-1246603,Nb4Te3N2,-8.0804895194,-0.6906975539,0.2625616928,0.2625616928,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Nb-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Nb-Te +mp-1225373,Dy2P7Rh12,-7.3745824067,-0.9232307083,0.0,-0.055018006,GGA,P-3,A2B7C12_hP21_147_d_ag_2g:Dy-P-Rh,21.0,A2B7C12_hP21_147_d_ag_2g:Dy-P-Rh +mp-1025150,Cu2WSe4,-5.4343508129,-0.4143237442,0.1877924071,0.1648374002,GGA,P-42m,A2B4C_tP7_111_e_n_b:Cu-Se-W,7.0,A2B4C_tP7_111_e_n_b:Cu-Se-W +mp-1025340,Cu2WSe4,-5.62214322,-0.6021161513000001,0.0,-0.0229550069,GGA,I-42m,A2B4C_tI14_121_c_i_a:Cu-Se-W,7.0,A2B4C_tI14_121_c_i_a:Cu-Se-W +mp-1028698,WSe2,-7.52203865,-0.8720542549,0.000157225,-0.8720542549,GGA,P-3m1,A2B_hP12_164_4d_2d:Se-W,12.0,"Invalid WP multiplicities - A2B_hP12_164_7d_3d:Se-W, expected W3Se7 to be WSe2" +mp-1023933,WSe2,-7.5216868667,-0.8717024716,0.0005090083,-0.8717024716,GGA,P-3m1,A2B_hP6_164_2d_d:Se-W,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:Se-W, expected WSe3 to be WSe2" +mp-1023936,WSe2,-7.52074877,-0.8707643749,0.001447105,-0.8707643749,GGA,P-6m2,A2B_hP3_187_h_a:Se-W,3.0,A2B_hP3_187_h_a:Se-W +mp-1025572,WSe2,-7.52193719,-0.8719527949,0.000258685,-0.8719527949,GGA,P-6m2,A2B_hP9_187_2gh_ah:Se-W,9.0,"Invalid WP multiplicities - A2B_hP9_187_4g2h_ah:Se-W, expected WSe4 to be WSe2" +mp-1821,WSe2,-7.522195875,-0.8722114799,0.0,-0.8722114799,GGA,P6_3/mmc,A2B_hP6_194_f_c:Se-W,6.0,A2B_hP6_194_f_c:Se-W +mp-1226152,Cu2(WSe2)3,-6.56803646,-0.3818298331,0.3317977414,0.3317977414,GGA,Cmc2_1,A2B6C3_oC44_36_2a_6a_3a:Cu-Se-W,22.0,A2B6C3_oC44_36_4a_12a_6a:Cu-Se-W +mp-1183970,Cu3W,-5.8734057525,0.4405318075,0.4405318075,0.4405318075,GGA,Fm-3m,A3B_cF16_225_ac_b:Cu-W,4.0,A3B_cF16_225_ac_b:Cu-W +mp-1225794,CuWSe2,-6.3914199688,-0.3791300049,0.275028605,0.275028605,GGA,P-3m1,AB2C_hP8_164_d_2d_d:Cu-Se-W,8.0,AB2C_hP8_164_d_2d_d:Cu-Se-W +mp-635425,AlF3,-5.9686238037,-3.5986206206,0.2717491325,-3.5986206206,GGA,P1,AB3_aP8_1_2a_6a:Al-F,8.0,AB3_aP8_1_2a_6a:Al-F +mp-1244960,AlF3,-6.0572805994,-3.6872774163,0.1830923369,-3.6872774163,GGA,P1,AB3_aP100_1_25a_75a:Al-F,100.0,AB3_aP100_1_25a_75a:Al-F +mp-1245145,AlF3,-6.0677887924,-3.6977856093,0.1725841439,-3.6977856093,GGA,P1,AB3_aP100_1_25a_75a:Al-F,100.0,AB3_aP100_1_25a_75a:Al-F +mp-1245158,AlF3,-6.0446645472,-3.6746613641,0.195708389,-3.6746613641,GGA,P1,AB3_aP100_1_25a_75a:Al-F,100.0,AB3_aP100_1_25a_75a:Al-F +mp-1182902,AlF3,-6.1988238713,-3.8288206881,0.041549065,-3.8288206881,GGA,P-1,AB3_aP8_2_i_ac2i:Al-F,8.0,AB3_aP8_2_i_ac2i:Al-F +mp-1251148,AlF3,-6.2042220887,-3.8342189056,0.0361508475,-3.8342189056,GGA,P2/m,AB3_mP8_10_m_admn:Al-F,8.0,AB3_aP8_2_i_ac2i:Al-F +mp-1183007,AlF3,-6.2310781713,-3.8610749881,0.009294765,-3.8610749881,GGA,C2/c,AB3_mC16_15_c_ef:Al-F,8.0,"Invalid WP multiplicities - AB3_mC16_15_a_2e2f:Al-F, expected AlF6 to be AlF3" +mp-559871,AlF3,-6.2389713212,-3.8689681381,0.001401615,-3.8689681381,GGA,Cmcm,AB3_oC48_63_ad_cfgh:Al-F,24.0,"Invalid WP multiplicities - AB3_oC48_63_2a2d_2c3f3g5h:Al-F, expected Al3F17 to be AlF3" +mp-1252764,AlF3,-6.2052335537,-3.8352303706,0.0351393825,-3.8352303706,GGA,Cmmm,AB3_oC16_65_g_ehi:Al-F,8.0,AB3_aP8_2_i_ac2i:Al-F +mp-555026,AlF3,-6.2353037665,-3.8653005834,0.0050691697,-3.8653005834,GGA,P4/mbm,AB3_tP40_127_di_cg2ij:Al-F,40.0,"Invalid WP multiplicities - AB3_tP40_127_di_2c3g13i7j:Al-F, expected Al5F88 to be AlF3" +mp-1323,AlF3,-6.2266006986,-3.8565975155,0.0137722377,-3.8565975155,GGA,P4/nmm,AB3_tP64_129_2cdi_2cfhijk:Al-F,64.0,"Invalid WP multiplicities - AB3_tP64_129_2cdi_2cfh2i2jk:Al-F, expected AlF4 to be AlF3" +mp-1103295,AlF3,-6.237468735,-3.8674655519,0.0029042012,-3.8674655519,GGA,P321,AB3_hP12_150_ad_fg:Al-F,12.0,AB3_hP12_150_ad_fg:Al-F +mp-468,AlF3,-6.2403729362,-3.8703697531,0.0,-3.8703697531,GGA,R-3c,AB3_hR24_167_b_e:Al-F,8.0,AB3_hR24_167_b_e:Al-F +mp-8039,AlF3,-6.23971481,-3.8697116269,0.0006581263,-3.8697116269,GGA,Pm-3m,AB3_cP4_221_a_d:Al-F,4.0,AB3_cP4_221_a_d:Al-F +mp-1047485,AlSb3F15,-5.1035074271,-2.7453619501,0.1697173468,0.1697173468,GGA,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Sb,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Sb, expected AlSb6F54 to be AlSb3F15" +mp-1219113,SmBiS3,-5.698497573,-1.5048125999000002,0.0107282653,0.0107282653,GGA,Pnma,AB3C_oP20_62_c_3c_c:Bi-S-Sm,20.0,AB3C_oP20_62_c_3c_c:Bi-S-Sm +mp-1212825,Er3ScS6,-6.7416646875,-2.2562322139,0.0722912806,0.0722912806,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:Er-S-Sc,20.0,A3B6C_mP20_11_3e_6e_e:Er-S-Sc +mp-1225623,Er3ScS6,-6.8066639425,-2.3212314689,0.0072920256,0.0072920256,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:Er-S-Sc,20.0,A3B6C_mP20_11_3e_6e_e:Er-S-Sc +mp-1225691,Er3ScS6,-6.7963687725,-2.3109362989,0.0175871956,0.0175871956,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:Er-S-Sc,20.0,A3B6C_mP20_11_3e_6e_e:Er-S-Sc +mp-1225608,Er3Sc2S7,-6.9051652875,-2.2948949785,0.0,-0.0012108149,GGA,C2/m,A3B7C2_mC24_12_ai_d3i_i:Er-S-Sc,12.0,A3B7C2_mC24_12_ai_c3i_i:Er-S-Sc +mp-1207420,Zr9Mo4S,-9.1990469646,-0.3098786806,0.025266056,0.025266056,GGA,P6_3/mmc,A4BC9_hP28_194_ah_c_hk:Mo-S-Zr,28.0,A4BC9_hP28_194_ah_c_hk:Mo-S-Zr +mp-1189323,Zr5Sb3S,-7.6424611817,-1.057799322,0.0,-0.0785292557,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:S-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:S-Sb-Zr +mp-1096238,Y2OsPd,-5.0659732075,2.2690746592,2.8606048062,2.8606048062,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Os-Pd-Y +mp-1207291,Ac2Cl2O,-5.000039766,-1.6228173568000002,1.313464733,1.313464733,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ac-Cl-O,5.0,A2B2C_tP5_123_g_g_a:Ac-Cl-O +mp-30273,AcClO,-7.2256485733,-3.5868484471,0.0,-0.20298693,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ac-Cl-O,6.0,ABC_tP6_129_c_c_a:Ac-Cl-O +mp-27971,AcCl3,-5.3573450775,-2.9406488306,0.0,-2.8476455542,GGA,P6_3/m,AB3_hP8_176_c_h:Ac-Cl,8.0,AB3_hP8_176_c_h:Ac-Cl +mp-1183113,Ac3Cl,-3.83202525,-0.2790098294,0.7012064475,0.7012064475,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Cl,8.0,A3B_hP8_194_h_c:Ac-Cl +mp-1183056,Ac3Cl,-3.8306965675,-0.2776811469,0.70253513,0.70253513,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Cl,4.0,A3B_cP4_221_c_a:Ac-Cl +mp-1215109,CdRh3F6,-4.494282771,-1.0458140535,0.6783028257,0.6783028257,GGA,P-1,AB6C3_aP10_2_a_3i_bce:Cd-F-Rh,10.0,AB6C3_aP10_2_a_3i_bce:Cd-F-Rh +mp-15638,CdRhF6,-4.5468987575,-2.0773898281,0.0,-0.057407373,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Rh,8.0,AB6C_hR24_148_a_f_b:Cd-F-Rh +mp-1187871,YTmAg2,-4.4915848125,-0.3397301767,0.000944015,0.000944015,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Tm-Y +mp-984358,Au3O,-3.4958658875,0.1962177903,0.3873081117,0.3873081117,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-O,8.0,A3B_hP8_194_h_c:Au-O +mp-658803,Au2O3,-4.70998499,-0.4324189633,0.026197808,-0.4324189633,GGA,P1,A2B3_aP10_1_4a_6a:Au-O,10.0,A2B3_aP10_1_4a_6a:Au-O +mp-27253,Au2O3,-4.736182798,-0.4586167712,0.0,-0.4586167712,GGA,Fdd2,A2B3_oF40_43_b_ab:Au-O,10.0,A2B3_oF40_43_b_ab:Au-O +mp-997090,PdAuO2,-5.171584505,-0.5847991969,0.0015224004,0.0015224004,GGA,C2/m,AB2C_mC16_12_i_2i_ad:Au-O-Pd,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_3i_ac:Au-O-Pd, expected PdAuO3 to be PdAuO2" +mp-997051,PdAuO2,-5.160079045,-0.5732937369000001,0.0130278604,0.0130278604,GGA,R-3m,AB2C_hR12_166_a_c_b:Au-O-Pd,4.0,AB2C_hR12_166_a_c_b:Au-O-Pd +mp-997099,PdAuO2,-5.1607870287,-0.5740017206,0.0123198767,0.0123198767,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Au-O-Pd,8.0,AB2C_hP8_194_c_f_a:Au-O-Pd +mp-1016831,HgIrO3,-5.407044466,-0.6106083303000001,0.4019120785,0.4019120785,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Hg-Ir-O,5.0,ABC3_cP5_221_a_b_c:Hg-Ir-O +mp-1022963,IrO3,-6.8589330125,-0.9393079341,0.0438438538,0.0069978441,GGA,Amm2,AB3_oC16_38_d_2ade:Ir-O,8.0,AB3_oC16_38_d_2ade:Ir-O +mp-1097041,IrO3,-6.9027768662,-0.9831517878,0.0,-0.0368460097,GGA,Cmcm,AB3_oC32_63_d_efg:Ir-O,16.0,AB3_oC32_63_d_efg:Ir-O +mp-1021489,IrO3,-6.788519065,-0.8688939866000001,0.1142578012,0.0774117916,GGA,Pm-3m,AB3_cP4_221_a_d:Ir-O,4.0,AB3_cP4_221_a_d:Ir-O +mp-2723,IrO2,-7.5056782383,-1.2617410375,0.0,-0.3878283372,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ir-O,6.0,AB2_tP6_136_a_f:Ir-O +mp-1014261,IrO2,-7.2424478167,-0.9985106158,0.2632304217,-0.1245979156,GGA,I4_1/amd,AB2_tI12_141_a_e:Ir-O,6.0,AB2_tI12_141_a_e:Ir-O +mp-1095353,IrO2,-7.4098719142,-1.1659347133,0.0958063242,-0.2920220131,GGA,Pa-3,AB2_cP12_205_a_c:Ir-O,12.0,AB2_cP12_205_a_c:Ir-O +mp-1410,DyN,-8.35037331,-1.8787324275,0.0,-1.2916162715,GGA,Fm-3m,AB_cF8_225_a_b:Dy-N,2.0,AB_cF8_225_a_b:Dy-N +mp-1205065,Dy2N3,-7.549151078299999,-0.7045393872,0.7984465548,0.7984465548,GGA,Ia-3,A2B3_cI80_206_ad_e:Dy-N,40.0,A2B3_cI80_206_ad_e:Dy-N +mp-31056,Dy3InN,-6.050618942,-1.068911107,0.0,-0.108682259,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Dy-In-N,5.0,A3BC_cP5_221_c_a_b:Dy-In-N +mp-1226775,CdPdF4,-4.1989285,-1.9074805933,0.0338606706,0.0338606706,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Cd-F-Pd,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_d:Cd-F-Pd, expected CdPdF8 to be CdPdF4" +mp-663300,PdF4,-4.03734361,-1.472184074,0.026732312,-0.2104129435,GGA,Cc,A4B_mC20_9_4a_a:F-Pd,10.0,"Invalid WP multiplicities - A4B_oF40_43_3b_a:F-Pd, expected PdF6 to be PdF4" +mp-13868,PdF4,-4.064075922,-1.498916386,0.0,-0.2371452555,GGA,Fdd2,A4B_oF40_43_2b_a:F-Pd,10.0,"Invalid WP multiplicities - A4B_oF40_43_3b_a:F-Pd, expected PdF6 to be PdF4" +mp-13984,CdPdF6,-4.15019011,-1.9537344381,0.0,-0.08664372,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Pd,8.0,AB6C_hR24_148_a_f_b:Cd-F-Pd +mp-1186424,Pd3F,-4.445459605,-0.0826785056,0.4430594654,0.4430594654,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Pd,4.0,AB3_cF16_225_a_bc:F-Pd +mp-1179948,PdF3,-3.20677954,-0.4781998619,1.0990140512,0.9741759863,GGA,C2/c,A3B_mC16_15_ef_a:F-Pd,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_a:F-Pd, expected PdF8 to be PdF3" +mp-13679,PdF3,-4.3057935912,-1.5772139131,0.0,-0.124838065,GGA,R-3c,A3B_hR24_167_e_b:F-Pd,8.0,A3B_hR24_167_e_b:F-Pd +mp-14112,PdF3,-4.2778257067,-1.5492460285,0.0279678846,-0.0968701804,GGA,P321,A3B_hP12_150_eg_bd:F-Pd,12.0,"Invalid WP multiplicities - A3B_hP12_150_e2g_bd:F-Pd, expected PdF5 to be PdF3" +mp-1058,PdF2,-4.3757548667,-1.374808285,0.0271596378,0.0271596378,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Pd,6.0,A2B_tP6_136_f_a:F-Pd +mp-20284,PdF2,-4.3619900042,-1.3610434225,0.0409245003,0.0409245003,GGA,Pa-3,A2B_cP12_205_c_a:F-Pd,12.0,A2B_cP12_205_c_a:F-Pd +mp-1187856,YHoIr2,-8.0161755275,-0.8347384417,0.0186434175,0.0186434175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ir-Y,4.0,AB2C_cF16_225_a_c_b:Ho-Ir-Y +mp-21108,U6Fe,-10.8938484029,-0.0054939357,0.0163147911,0.0163147911,GGA,I4/mcm,AB6_tI28_140_a_hk:Fe-U,14.0,AB6_tI28_140_a_hk:Fe-U +mp-1226672,CeUFe4,-8.5673299717,-0.0498993042,0.0418034483,0.0418034483,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Fe-U,6.0,AB4C_cF24_216_a_e_c:Ce-Fe-U +mp-21050,UFe2,-9.5122582017,-0.1017740583,0.0,-0.0996375278,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-U,6.0,A2B_cF24_227_c_b:Fe-U +mp-1208119,U4Fe,-10.008746937,0.7183853130000001,0.7489175305,0.7489175305,GGA,Fd-3m,AB4_cF40_227_a_e:Fe-U,10.0,AB4_cF40_227_a_e:Fe-U +mp-634930,YbH3,-3.188641795,-0.2591951912,0.2819096419,0.2819096419,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Yb,,A3B_cF16_225_ac_b:H-Yb +mp-1187975,Yb3H,-1.6206862088,0.3822015125,0.6527539291000001,0.6527539291000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Yb,,AB3_hP8_194_c_h:H-Yb +mp-1018646,YbH3Pd,-3.953013404,-0.573479759,0.0,-0.0991015313,GGA,Pm-3m,A3BC_cP5_221_c_b_a:H-Pd-Yb,,A3BC_cP5_221_c_b_a:H-Pd-Yb +mp-697915,Yb3H8,-3.3875539273,-0.5002236364,0.0900725452,0.0900725452,GGA,C2/m,A8B3_mC66_12_4i4j_agij:H-Yb,,"Invalid WP multiplicities - A8B3_mC66_12_7i7j_ag2i2j:H-Yb, expected Yb5H14 to be Yb3H8" +mp-864603,YbH2,-3.4964932342,-0.7214731108,0.0,-0.2629347775,GGA,Pnma,A2B_oP12_62_2c_c:H-Yb,,"Invalid WP multiplicities - A2B_oP12_62_5c_c:H-Yb, expected YbH5 to be YbH2" +mp-632667,YbH2,-3.461110845,-0.6860907217000001,0.0353823892,-0.2275523883,GGA,P6_3/mmc,A2B_hP6_194_ac_d:H-Yb,,A2B_hP6_194_ac_d:H-Yb +mp-634751,YbH2,-3.43718984,-0.6621697167,0.0593033942,-0.2036313833,GGA,Fm-3m,A2B_cF12_225_c_a:H-Yb,,A2B_cF12_225_c_a:H-Yb +mp-510322,UCo5,-7.88328444,-0.0777846092,0.04479481,0.04479481,GGA,R-3m,A5B_hR54_166_3cdh_ac:Co-U,18.0,A5B_hR54_166_3cdh_ac:Co-U +mp-1220445,NdUCo10,-7.3094370833,-0.0475424673,0.0526677571,0.0526677571,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-Nd-U,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-Nd-U, expected NdUCo12 to be NdUCo10" +mp-1080107,UCo,-9.4680774113,-0.2682135088,0.0,-0.08434438,GGA,I2_13,AB_cI16_199_a_a:Co-U,8.0,AB_cI16_199_a_a:Co-U +mp-1102468,UCo3,-8.3167963092,-0.1627054604,0.0211636683,0.0211636683,GGA,R-3m,A3B_hR36_166_ach_bc:Co-U,12.0,A3B_hR36_166_ach_bc:Co-U +mp-1383,UCo2,-8.747840705,-0.2451588383,0.0,-0.0472840285,GGA,Fd-3m,A2B_cF24_227_c_b:Co-U,6.0,A2B_cF24_227_c_b:Co-U +mp-582635,U6Co,-10.7296803929,-0.035854985,0.0407774461,0.0407774461,GGA,I4/mcm,AB6_tI28_140_a_hk:Co-U,14.0,"Invalid WP multiplicities - AB6_tI28_140_a_3h4k:Co-U, expected U22Co to be U6Co" +mp-1208177,U4Co,-9.757273364,0.697518203,0.8048036065,0.8048036065,GGA,Fd-3m,AB4_cF40_227_a_e:Co-U,10.0,AB4_cF40_227_a_e:Co-U +mp-867121,LiY2Pt,-5.889346875,-0.6610972717,0.0339426373,0.0339426373,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pt-Y,4.0,ABC2_cF16_225_a_b_c:Li-Pt-Y +mp-1080130,U2SnPt2,-8.26134486,-0.514413157,0.081171789,0.003021292,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Pt-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Pt-Sn-U +mp-1188099,U2SnPt2,-8.342516649,-0.595584946,0.0,-0.078150497,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Pt-Sn-U,20.0,A2BC2_tP20_136_j_d_fg:Pt-Sn-U +mp-1080562,USnPt,-7.6167035311,-0.4926651361,0.0167477785,0.0167477785,GGA,P-62m,ABC_hP9_189_ad_g_f:Pt-Sn-U,9.0,ABC_hP9_189_ad_g_f:Pt-Sn-U +mp-30848,USnPt,-7.6238015467,-0.4997631517,0.009649763,0.009649763,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sn-U,3.0,ABC_cF12_216_c_a_b:Pt-Sn-U +mp-542817,UPt,-9.2016819138,-0.5204102488,0.0235311462,0.0036905225,GGA,P2_1,AB_mP16_4_4a_4a:Pt-U,16.0,AB_mP16_14_4e_4e:Pt-U +mp-569752,UPt,-9.22521306,-0.543941395,0.0,-0.0198406238,GGA,Cmcm,AB_oC8_63_c_c:Pt-U,4.0,AB_oC8_63_c_c:Pt-U +mp-1078970,USnPt2,-7.3750873862,-0.51427526,0.1035432782,0.1035432782,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Pt-Sn-U,8.0,A2BC_hP8_194_f_c_a:Pt-Sn-U +mp-30854,UPt2,-8.5100265783,-0.6988010283,0.0,-0.0229989317,GGA,Cmcm,A2B_oC12_63_ac_c:Pt-U,6.0,A2B_oC12_63_ac_c:Pt-U +mp-1189480,U3Sn4Pt3,-7.2580462305,-0.4454544895,0.0208724094,0.0208724094,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Pt-Sn-U,20.0,A3B4C3_cI40_220_a_c_b:Pt-Sn-U +mp-30855,UPt3,-8.11793494,-0.7417324475,0.0,-0.1247447667,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pt-U,8.0,A3B_hP8_194_h_c:Pt-U +mp-1187724,U3Pt,-10.2143040175,-0.22796318,0.0440075175,0.0440075175,GGA,Fm-3m,AB3_cF16_225_a_bc:Pt-U,4.0,AB3_cF16_225_a_bc:Pt-U +mp-1072444,UPt5,-7.4763537683,-0.5351743333,0.0,-0.040686035,GGA,F-43m,A5B_cF24_216_ae_c:Pt-U,6.0,A5B_cF24_216_ae_c:Pt-U +mp-1226774,CeUTe6,-5.57747986,-1.0669380444,0.1487149907,0.1487149907,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Ce-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Ce-Te-U +mp-676497,Ce2UTe4,-6.4786296086,-1.3742279095,0.0957961012,0.0957961012,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-Te-U,14.0,A2B4C_tI28_122_d_e_a:Ce-Te-U +mp-23260,BaI2,-3.7063714358,-2.0844688892,0.0,-2.0844688892,GGA,Pnma,AB2_oP12_62_c_2c:Ba-I,12.0,AB2_oP12_62_c_2c:Ba-I +mp-568536,BaI2,-3.7006658022,-2.0787632556,0.0057056336,-2.0787632556,GGA,P-62m,AB2_hP9_189_ad_fg:Ba-I,9.0,"Invalid WP multiplicities - AB2_hP9_189_ad_2f2g:Ba-I, expected BaI4 to be BaI2" +mp-568836,Ba3GeI2,-3.5829842021,-1.3618699729,0.0,-0.0735513908,GGA,Fddd,A3BC2_oF96_70_fh_e_2e:Ba-Ge-I,24.0,"Invalid WP multiplicities - A3BC2_oF96_70_2f2h_e_6e:Ba-Ge-I, expected Ba6GeI6 to be Ba3GeI2" +mp-1191153,Lu2Co12P7,-7.1088216829,-0.8119249149000001,0.0,-0.0048222008,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Lu-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Lu-P +mp-1222910,Lu5Co19P12,-7.0882261283,-0.9042699954,0.0,-0.0018389071,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Lu-P,36.0,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Lu-P +mp-1200073,LuCo3P2,-7.0625495817,-0.9504647619,0.0,-0.02309161,GGA,Pmmn,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Lu-P,36.0,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Lu-P +mp-1196904,LuCo5P3,-7.1102248608,-0.8543974147000001,0.0,-0.0088924705,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Lu-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Lu-P +mp-1196018,Lu6Co30P19,-7.088835388,-0.8483265772,0.0,-0.0014719529,GGA,P-6,A30B6C19_hP55_174_5j5k_jk_a3j3k:Co-Lu-P,55.0,A30B6C19_hP55_174_5j5k_jk_a3j3k:Co-Lu-P +mp-1212012,K10Tl7,-1.7296068324,-0.1035779208,0.0,-0.0081234726,GGA,P2_1/c,A10B7_mP68_14_10e_7e:K-Tl,68.0,A10B7_mP68_14_10e_7e:K-Tl +mp-1196555,K6Tl17,-2.1236702003,-0.0876994536,0.0108279009,0.0108279009,GGA,Cccm,A6B17_oC184_66_g3lm_adh3l6m:K-Tl,92.0,A6B17_oC184_66_g3lm_adh3l6m:K-Tl +mp-640333,K49Tl108,-2.0896925456,-0.1178772065,0.0,-0.0160338901,GGA,Pm-3,A49B108_cP157_200_cf2ijk_2g2j2k2l:K-Tl,157.0,"Invalid WP multiplicities - A49B108_cP157_200_3c5f13i8j10k_10g23j20k39l:K-Tl, expected K359Tl1512 to be K49Tl108" +mp-1185077,K3Tc,-2.2158193475,1.207139599,1.207139599,1.207139599,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Tc,4.0,A3B_tI8_139_ad_b:K-Tc +mp-1185030,K3Tc,-2.2278362125,1.195122734,1.195122734,1.195122734,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Tc,4.0,A3B_cF16_225_ac_b:K-Tc +mp-1185120,K3Tl,-1.4070891075,0.0163708894,0.0792574842,0.0792574842,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Tl,4.0,A3B_tI8_139_ad_b:K-Tl +mp-974627,K3Tl,-1.4098563175,0.0136036794,0.0764902742,0.0764902742,GGA,Pm-3m,A3B_cP4_221_c_a:K-Tl,4.0,A3B_cP4_221_c_a:K-Tl +mp-974641,K3Tl,-1.41167559,0.0117844069,0.0746710017,0.0746710017,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Tl,4.0,A3B_cF16_225_ac_b:K-Tl +mp-1180954,K2Tc,-2.7895660756,1.4042462041,1.4042462041,1.4042462041,GGA,Amm2,A2B_oC18_38_abde_ae:K-Tc,9.0,A2B_oC18_38_abde_ae:K-Tc +mp-1238084,K2Tc,-2.6184592278,1.5753530519,1.5753530519,1.5753530519,GGA,Amm2,A2B_oC18_38_abde_ae:K-Tc,9.0,A2B_oC18_38_abde_ae:K-Tc +mp-1084834,K2Tc,-2.6215331633,1.5722791163,1.5722791163,1.5722791163,GGA,P-62m,A2B_hP9_189_fg_ad:K-Tc,9.0,A2B_hP9_189_fg_ad:K-Tc +mp-863730,KTl,-1.8524300196,-0.1159089727,0.0026281432,0.0026281432,GGA,Cmce,AB_oC48_64_def_fg:K-Tl,24.0,AB_oC48_64_def_fg:K-Tl +mp-1079544,KTl,-1.8048280512,-0.0683070044,0.0502301115,0.0502301115,GGA,P6_3/mmc,AB_hP8_194_f_bc:K-Tl,8.0,AB_hP8_194_f_bc:K-Tl +mp-1211511,KTl2,-1.8765151258,0.0687132876,0.1893273618,0.1893273618,GGA,Fd-3m,AB2_cF48_227_c_e:K-Tl,12.0,AB2_cF48_227_c_e:K-Tl +mp-569570,K8Tl11,-1.96730409,-0.131921659,0.0,-0.015185712,GGA,R-3c,A8B11_hR114_167_cf_cef:K-Tl,38.0,"Invalid WP multiplicities - A8B11_hR114_167_3c3f_4c4e6f:K-Tl, expected K3Tl7 to be K8Tl11" +mp-862783,KTl3,-2.1294918587,-0.079909762,0.014512286,0.014512286,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Tl,8.0,AB3_hP8_194_c_h:K-Tl +mp-1205822,K2Tl6Tc,-2.8132050233,0.1598278343,0.2437585437,0.2437585437,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:K-Tc-Tl,9.0,A2BC6_cF36_225_c_a_e:K-Tc-Tl +mp-1070925,LaPRh,-7.17355678,-1.2690176194,0.0,-0.1039768304,GGA,I4_1md,ABC_tI12_109_a_a_a:La-P-Rh,6.0,ABC_tI12_109_a_a_a:La-P-Rh +mp-1206159,La2(PRh)3,-4.9286673675,1.0969383,2.2785584981,2.2785584981,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:La-P-Rh,8.0,A2B3C3_tP8_123_g_ag_bg:La-P-Rh +mp-1200868,La4P9Rh8,-7.1697493621,-1.1041201269,0.0,-0.0074992273,GGA,Cmcm,A4B9C8_oC84_63_2cg_c2gh_2c2eg:La-P-Rh,42.0,A4B9C8_oC84_63_2cg_c2gh_2c2eg:La-P-Rh +mp-1080183,La(PRh)2,-7.227427317,-1.1291817453,0.0,-0.0280622745,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:La-P-Rh,10.0,AB2C2_tP10_129_c_ac_bc:La-P-Rh +mp-1207202,La(PPd)2,-6.230440506,-1.0059653583,0.0,-0.0099885119,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:La-P-Pd,5.0,AB2C2_tI10_139_a_e_d:La-P-Pd +mp-1211429,La3(P3Pd10)2,-5.9092211876,-0.7062738581,0.0,-0.0267909039,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:La-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:La-P-Pd +mp-4336,LaPPd,-6.4857025067,-1.3093053661,0.0,-0.10393155,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:La-P-Pd,6.0,ABC_hP6_194_a_c_d:La-P-Pd +mp-504775,La6P17Pd6,-6.1893341283,-0.9230763316,0.0,-0.0153039821,GGA,I-43m,A6B17C6_cI58_217_e_acg_d:La-P-Pd,29.0,A6B17C6_cI58_217_e_acg_d:La-P-Pd +mp-680525,La7P12Pd17,-6.2258177414,-1.015549114,0.0,-0.0421464384,GGA,C2/m,A7B12C17_mC72_12_a3i_6i_c8i:La-P-Pd,36.0,A7B12C17_mC72_12_a3i_6i_d8i:La-P-Pd +mp-971933,YZr,-7.39448461,0.1126012617,0.1126012617,0.1126012617,GGA,P-6m2,AB_hP2_187_a_d:Y-Zr,2.0,AB_hP2_187_a_d:Y-Zr +mp-1028086,YMg14Zr,-2.3181642512,0.0204665265,0.0598922868,0.0598922868,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Y-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Y-Zr, expected YMg18Zr to be YMg14Zr" +mp-1028085,YMg14Zr,-2.3014467869,0.0371839908,0.0766097512,0.0766097512,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Y-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Y-Zr, expected YMg26Zr to be YMg14Zr" +mp-1022847,YMg6Zr,-3.0168831006,0.0600984048,0.1146195156,0.1146195156,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Y-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Y-Zr, expected YMg12Zr to be YMg6Zr" +mp-1022923,YMg6Zr,-3.0888310487,-0.0118495433,0.0426715674,0.0426715674,GGA,Cmmm,A6BC_oC16_65_ehj_a_b:Mg-Y-Zr,8.0,A6BC_oC16_65_ehj_a_b:Mg-Y-Zr +mp-13554,SnHgO3,-5.286142636,-1.4554789653,0.0649949415,0.0649949415,GGA,R-3c,AB3C_hR30_167_a_e_b:Hg-O-Sn,10.0,AB3C_hR30_167_a_e_b:Hg-O-Sn +mp-1016837,SnHgO3,-5.012297874,-1.1816342033,0.3388397035,0.3388397035,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Sn,5.0,AB3C_cP5_221_a_c_b:Hg-O-Sn +mp-979431,YLuZn2,-3.7383384025,-0.3616111892,0.0023892975,0.0023892975,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Lu-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Lu-Y-Zn +mp-27246,LuSBr,-5.7882063233,-2.3847300844,0.0,-0.0673303372,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Lu-S,6.0,ABC_oP6_59_a_b_a:Br-Lu-S +mp-560054,LuSBr,-5.3870276583,-1.9835514194,0.401178665,0.3338483278,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Lu-S,6.0,ABC_oP6_59_a_b_a:Br-Lu-S +mp-1018675,DyS2,-6.2889929967,-1.9957641388,0.0,-0.0206612389,GGA,P4/nmm,AB2_tP6_129_c_ac:Dy-S,6.0,AB2_tP6_129_c_ac:Dy-S +mp-16328,DyS2,-4.675368735,-0.3821398771,1.6136242617,1.5929630228,GGA,Fd-3m,AB2_cF24_227_a_d:Dy-S,6.0,AB2_cF24_227_a_d:Dy-S +mp-2470,DyS,-6.61309332,-2.2414749666,0.0,-0.2170167886,GGA,Fm-3m,AB_cF8_225_a_b:Dy-S,2.0,AB_cF8_225_a_b:Dy-S +mp-556095,Dy3S4,-6.6091391507,-2.2711162954,0.0735525921,0.0735525921,GGA,I-43d,A3B4_cI28_220_a_c:Dy-S,14.0,A3B4_cI28_220_a_c:Dy-S +mp-1270,Dy2S3,-6.694708136,-2.3701234799,0.0,-0.0695479327,GGA,Pnma,A2B3_oP20_62_2c_3c:Dy-S,20.0,A2B3_oP20_62_2c_3c:Dy-S +mp-8850,Dy2S3,-6.6888171595,-2.3642325034,0.0058909765,-0.0636569562,GGA,Pnma,A2B3_oP20_62_2c_3c:Dy-S,20.0,A2B3_oP20_62_2c_3c:Dy-S +mp-32826,Dy2S3,-6.6697538505,-2.3451691944,0.0249542855,-0.0445936472,GGA,I-42d,A2B3_tI80_122_cde_3e:Dy-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d5e_16e:Dy-S, expected Dy9S16 to be Dy2S3" +mp-1103125,Dy5S7,-6.69429148,-2.3618678743,0.0,-0.0131858133,GGA,C2/m,A5B7_mC24_12_a2i_d3i:Dy-S,12.0,A5B7_mC24_12_a2i_c3i:Dy-S +mp-28928,DySBr,-5.8313798783,-2.3992915327,0.0,-0.0531832183,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Dy-S,6.0,ABC_oP6_59_a_b_a:Br-Dy-S +mp-531574,Dy11S16,-6.6625121152,-2.3344434815,0.0320108404,0.0320108404,GGA,P2_12_12,A11B16_oP54_18_a5c_8c:Dy-S,54.0,"Invalid WP multiplicities - A11B16_oP54_18_2a20c_24c:Dy-S, expected Dy7S8 to be Dy11S16" +mp-1187131,Sr3Ho,-2.1924553425,0.220266965,0.220266965,0.220266965,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-Sr,8.0,AB3_hP8_194_c_h:Ho-Sr +mp-1194314,Sr(HoS2)2,-6.3292961721,-2.4149946492,0.0,-0.0375849095,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ho-S-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Ho-S-Sr +mp-1224776,Gd3Sc2S7,-9.3053132525,-2.317942086,0.0,-0.0128025927,GGA,C2/m,A3B7C2_mC24_12_ai_d3i_i:Gd-S-Sc,12.0,A3B7C2_mC24_12_ai_c3i_i:Gd-S-Sc +mp-1213337,Gd3ScS6,-9.6802233927,-2.3422698901,0.0,-0.0024333155,GGA,Pnnm,A3B6C_oP40_58_3g_6g_ac:Gd-S-Sc,40.0,A3B6C_oP40_58_3g_6g_ac:Gd-S-Sc +mp-510490,GdScS3,-8.861792824,-2.2982046349,0.0015221423,0.0015221423,GGA,Pnma,AB3C_oP20_62_c_cd_a:Gd-S-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c3d_a:Gd-S-Sc, expected GdScS8 to be GdScS3" +mp-1198229,Ho15C19,-7.5040012926,-0.3251548983,0.0106536224,0.0106536224,GGA,P-42_1c,A19B15_tP68_114_ac4e_bc3e:C-Ho,68.0,A19B15_tP68_114_ac4e_bc3e:C-Ho +mp-15238,Ho4C5,-7.5002719372,-0.3366093881,0.0,-0.0060948607,GGA,Pbam,A5B4_oP18_55_a2h_gh:C-Ho,18.0,A5B4_oP18_55_a2h_gh:C-Ho +mp-1206983,Ho3PbC,-5.887032368,-0.5493245335,0.0,-0.121326536,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ho-Pb,5.0,AB3C_cP5_221_b_c_a:C-Ho-Pb +mp-1640,Ho2C,-6.4308065333,-0.2996454558,0.0,-0.097679823,GGA,R-3m,AB2_hR9_166_a_c:C-Ho,3.0,AB2_hR9_166_a_c:C-Ho +mp-1154,Ho4C7,-7.832266038,-0.2931484082,0.0,-0.0108409867,GGA,P2_1/c,A7B4_mP44_14_7e_4e:C-Ho,44.0,A7B4_mP44_14_7e_4e:C-Ho +mp-15177,Ho4C7,-7.8282630614,-0.2891454316,0.0040029766,-0.0068380101,GGA,P2_1/c,A7B4_mP22_14_a3e_2e:C-Ho,22.0,"Invalid WP multiplicities - A7B4_mP22_14_a4e_2e:C-Ho, expected Ho4C9 to be Ho4C7" +mp-1423,HoC2,-7.87371805,-0.193804765,0.0749146092,0.0749146092,GGA,I4/mmm,A2B_tI6_139_e_a:C-Ho,3.0,A2B_tI6_139_e_a:C-Ho +mp-2332,Ho2C3,-7.6366036215,-0.266440778,0.0488674198,0.0488674198,GGA,I-43d,A3B2_cI40_220_d_c:C-Ho,20.0,A3B2_cI40_220_d_c:C-Ho +mp-1202754,Ho3C4,-7.5701321153,-0.332719461,0.0,-0.0046470511,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Ho,70.0,A4B3_tP70_128_2eghi_aehi:C-Ho +mp-1186446,PbC,-4.9832515675,1.4874047137,1.4874047137,1.4874047137,GGA,P6_3mc,AB_hP4_186_b_b:C-Pb,4.0,AB_hP4_186_b_b:C-Pb +mp-20963,Tb3PbC,-3.7572335,1.6116486725,2.0306392364,2.0306392364,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Pb-Tb,5.0,ABC3_cP5_221_a_b_c:C-Pb-Tb +mp-867829,LiVRh2,-6.8434133,-0.4130521308,0.0,-0.1254666813,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-V,4.0,AB2C_cF16_225_a_c_b:Li-Rh-V +mp-23305,EuI2,-6.3070663558,-1.9058215225,0.0131592,-1.9058215225,GGA,P2_1/c,AB2_mP12_14_e_2e:Eu-I,12.0,AB2_mP12_14_e_2e:Eu-I +mp-570799,EuI2,-6.3018720667,-1.9006272333,0.0183534892,-1.9006272333,GGA,Pbca,AB2_oP24_61_c_2c:Eu-I,24.0,"Invalid WP multiplicities - AB2_oP24_61_c_7c:Eu-I, expected EuI7 to be EuI2" +mp-1102093,EuI2,-6.3202255558,-1.9189807225,0.0,-1.9189807225,GGA,Pnma,AB2_oP12_62_c_2c:Eu-I,12.0,AB2_oP12_62_c_2c:Eu-I +mp-573495,ICl,-2.0496781788,-0.3887266738,0.1011374137,-0.0770997737,GGA,P2_1/c,AB_mP16_14_2e_2e:Cl-I,16.0,"Invalid WP multiplicities - AB_mP16_14_6e_5e:Cl-I, expected I5Cl6 to be ICl" +mp-567998,ICl,-2.1508155925,-0.4898640875,0.0,-0.1782371875,GGA,P2_1/c,AB_mP16_14_2e_2e:Cl-I,16.0,"Invalid WP multiplicities - AB_mP16_14_4e_6e:Cl-I, expected I3Cl2 to be ICl" +mp-568024,ICl,-2.1417336112,-0.4807821062,0.0090819813,-0.1691552062,GGA,P2_1/c,AB_mP16_14_2e_2e:Cl-I,16.0,"Invalid WP multiplicities - AB_mP16_14_6e_8e:Cl-I, expected I4Cl3 to be ICl" +mp-864616,ICl2,-2.1389824233,-0.4155025333,0.0,-0.088926475,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-I,6.0,A2B_tP6_136_f_a:Cl-I +mp-1212725,EuICl,-6.8579457825,-2.3316441792,0.0173030821,0.0173030821,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-Eu-I,12.0,ABC_oP12_62_c_c_c:Cl-Eu-I +mp-1198377,CsTh3F13,-7.1720532776,-4.349335413,0.0,-0.0449414229,GGA,Pmc2_1,AB13C3_oP34_26_a_2a3b4c_bc:Cs-F-Th,34.0,AB13C3_oP34_26_a_2a3b4c_bc:Cs-F-Th +mp-862671,ThF4,-7.416670339,-4.404715515,0.094586469,-4.404715515,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Th,30.0,A4B_mC60_15_ce5f_ef:F-Th +mp-31034,ThF4,-7.511256808,-4.499301984,0.0,-4.499301984,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Th,30.0,"Invalid WP multiplicities - A4B_mC60_15_ce6f_ef:F-Th, expected Th3F14 to be ThF4" +mp-1212439,Hf5Al3C,-8.2721848072,-0.4664805703,0.0484849228,0.0484849228,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Al-C-Hf,18.0,A3BC5_hP18_193_g_b_dg:Al-C-Hf +mp-570784,Hf2Al3C4,-8.0554047117,-0.4925416539,0.0,-0.0026728177,GGA,P6_3/mmc,A3B4C2_hP18_194_ce_abf_f:Al-C-Hf,18.0,"Invalid WP multiplicities - A3B4C2_hP18_194_ce_2a2b3f_f:Al-C-Hf, expected Hf2Al3C10 to be Hf2Al3C4" +mp-1189539,Hf2Al3C5,-7.85819883,-0.1287555288,0.3145319597,0.3145319597,GGA,P6_3/mmc,A3B5C2_hP20_194_ce_a2f_f:Al-C-Hf,20.0,"Invalid WP multiplicities - A3B5C2_hP20_194_ce_a3f_f:Al-C-Hf, expected Hf2Al3C7 to be Hf2Al3C5" +mp-642493,Hf3Al3C5,-8.5138070864,-0.5818414461,0.0,-0.0081482468,GGA,P6_3/mmc,A3B5C3_hP22_194_bf_cef_af:Al-C-Hf,22.0,"Invalid WP multiplicities - A3B5C3_hP22_194_2b2f_c2e2f_af:Al-C-Hf, expected HfAl2C3 to be Hf3Al3C5" +mp-568991,Hf2Al4C5,-7.7590534773,-0.3917799461,0.0257295921,0.0257295921,GGA,R-3m,A4B5C2_hR33_166_2c_a2c_c:Al-C-Hf,11.0,"Invalid WP multiplicities - A4B5C2_hR33_166_3c_a2c_c:Al-C-Hf, expected Hf2Al6C5 to be Hf2Al4C5" +mp-567970,Hf3(Al2C3)2,-8.18580283,-0.4761210327,0.0289784689,0.0289784689,GGA,R-3m,A4B6C3_hR39_166_2c_3c_ac:Al-C-Hf,13.0,"Invalid WP multiplicities - A4B6C3_hR39_166_4c_6c_ac:Al-C-Hf, expected Hf3(Al2C3)4 to be Hf3(Al2C3)2" +mp-1212292,Hf4W,-9.38430902,1.17306825,1.224927112,1.224927112,GGA,Fd-3m,A4B_cF40_227_e_a:Hf-W,10.0,A4B_cF40_227_e_a:Hf-W +mp-1224230,HfW2,-11.86161018,0.0962063167,0.26906919,0.0962063167,GGA,Fmmm,AB2_oF12_69_a_g:Hf-W,3.0,AB2_oF12_69_a_g:Hf-W +mp-1400,HfW2,-12.13067937,-0.1728628733,0.0,-0.1728628733,GGA,Fd-3m,AB2_cF24_227_a_d:Hf-W,6.0,AB2_cF24_227_a_d:Hf-W +mp-1192493,Hf9NiW4,-10.6806592264,-0.1644193071,0.0,-0.0161707593,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-Ni-W,28.0,A9BC4_hP28_194_hk_c_ah:Hf-Ni-W +mp-998897,YSb,-6.20174006,-0.9040038833,0.35114656,0.0650604769,GGA,Pm-3m,AB_cP2_221_a_b:Sb-Y,2.0,AB_cP2_221_a_b:Sb-Y +mp-215,YSb,-6.55288662,-1.2551504433,0.0,-0.2860860831,GGA,Fm-3m,AB_cF8_225_a_b:Sb-Y,2.0,AB_cF8_225_a_b:Sb-Y +mp-1018112,YSb2,-5.24933325,-0.3411753856,0.4955915767,0.4955915767,GGA,C222,A2B_oC6_21_k_a:Sb-Y,3.0,A2B_oC6_21_k_a:Sb-Y +mp-1207789,Y5Sb3,-6.6056562206,-1.0157363098,0.0147998025,-0.0406707011,GGA,Pnma,A3B5_oP32_62_cd_3cd:Sb-Y,32.0,A3B5_oP32_62_cd_3cd:Sb-Y +mp-1189138,Y5Sb3,-6.6204560231,-1.0305361123,0.0,-0.0554705036,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:Sb-Y,16.0,A3B5_hP16_193_g_dg:Sb-Y +mp-31438,YZrSb,-7.26895059,-0.8878929289,0.0,-0.0479313689,GGA,I4/mmm,ABC_tI12_139_e_e_c:Sb-Y-Zr,6.0,ABC_tI12_139_e_e_c:Sb-Y-Zr +mp-568320,Y4Sb3,-6.5722004364,-1.107502126,0.0192972711,0.0192972711,GGA,I-43d,A3B4_cI28_220_a_c:Sb-Y,14.0,A3B4_cI28_220_a_c:Sb-Y +mp-1196393,Y3Sb,-6.5481507134,-0.6660470684,0.0209770064,0.0209770064,GGA,P4_2/n,AB3_tP32_86_g_3g:Sb-Y,32.0,AB3_tP32_86_g_3g:Sb-Y +mp-1187804,Y3Sb,-6.3834226612,-0.5013190163,0.1857050586,0.1857050586,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sb-Y,8.0,AB3_hP8_194_c_h:Sb-Y +mp-570891,KBr,-3.32928734,-1.9975737015,0.07306301,-1.267783876,GGA,Pm-3m,AB_cP2_221_a_b:Br-K,2.0,AB_cP2_221_a_b:Br-K +mp-23251,KBr,-3.40235035,-2.0706367115,0.0,-1.340846886,GGA,Fm-3m,AB_cF8_225_a_b:Br-K,2.0,AB_cF8_225_a_b:Br-K +mp-1185135,KBr3,-2.5370557225,-1.0946847382,0.0,-0.0593663825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-K,8.0,A3B_hP8_194_h_c:Br-K +mp-1212556,K2CoBr4,-3.7283407043,-1.5081651316,0.0,-0.0111966143,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Br-Co-K,28.0,A4BC2_oP28_62_2cd_c_2c:Br-Co-K +mp-20815,SnPbF4,-5.1556294075,-2.5942736083,0.0317596538,0.0317596538,GGA,P4/nmm,A4BC_tP12_129_acf_c_c:F-Pb-Sn,12.0,A4BC_tP12_129_acf_c_c:F-Pb-Sn +mp-1096696,Y2PtRh,-5.076243455,1.5158523992,2.57001042,2.57001042,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Pt-Rh-Y +mp-613052,Eu2PBr,-8.6094127175,-1.7393291083,0.0,-0.2975802219,GGA,R-3m,AB2C_hR12_166_a_c_b:Br-Eu-P,4.0,AB2C_hR12_166_a_c_b:Br-Eu-P +mp-568506,Pr2Ni2I,-5.288679978,-0.7695897340000001,0.0,-0.0716653616,GGA,P6_3/mmc,AB2C2_hP10_194_c_f_e:I-Ni-Pr,10.0,AB2C2_hP10_194_c_f_e:I-Ni-Pr +mp-27638,NiI2,-3.3229957667,-0.4140393067,0.0,-0.3617726,GGA,R-3m,A2B_hR9_166_c_a:I-Ni,3.0,A2B_hR9_166_c_a:I-Ni +mp-618999,Pr4NiI5,-4.5358614685,-1.3088023235,0.0,-0.0320674384,GGA,Pmmn,A5BC4_oP20_59_a2e_a_2be:I-Ni-Pr,20.0,"Invalid WP multiplicities - A5BC4_oP20_59_2a6e_a_4b4e:I-Ni-Pr, expected Pr12NiI14 to be Pr4NiI5" +mp-973896,Ni3I,-4.284266685,0.4191774125,0.5744421525,0.5744421525,GGA,I4/mmm,AB3_tI8_139_a_bd:I-Ni,4.0,AB3_tI8_139_a_bd:I-Ni +mp-973936,NiI,-3.705151575,-0.07840006,0.23212942,0.23212942,GGA,P6_3mc,AB_hP4_186_b_b:I-Ni,4.0,AB_hP4_186_b_b:I-Ni +mp-1194252,Zr4Pt2N,-9.0273435754,-1.2174058489,0.0,-0.0264485282,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Pt-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Pt-Zr +mp-556253,Tm2O3,-8.8006549553,-4.0423075592,0.0511951432,-1.1374836635,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Tm,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a8i_5i:O-Tm, expected Tm10O17 to be Tm2O3" +mp-13067,Tm2O3,-8.771554344,-4.0132069479,0.0802957545,-1.1083830522,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Tm,5.0,A3B2_hP5_164_ad_d:O-Tm +mp-1767,Tm2O3,-8.8518500985,-4.0935027024,0.0,-1.1886788067,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Tm,40.0,A3B2_cI80_206_e_ad:O-Tm +mp-1178953,TmO3,-6.9263049737,-2.0973295845,0.4611096045,0.4611096045,GGA,P6_3/m,A3B_hP8_176_h_c:O-Tm,8.0,A3B_hP8_176_h_c:O-Tm +mp-979074,TmO3,-6.823292485,-1.9943170957,0.5641220933000001,0.5641220933000001,GGA,Fm-3m,A3B_cF16_225_ac_b:O-Tm,4.0,A3B_cF16_225_ac_b:O-Tm +mp-1206313,TmO2,-8.0173197217,-3.2275821064,0.1836701456,0.1836701456,GGA,P2_1/m,A2B_mP6_11_2e_e:O-Tm,6.0,A2B_mP6_11_2e_e:O-Tm +mp-756550,TmAsO4,-7.6023350887,-2.7820503099,0.0803661296,-0.1655686983,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-Tm,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:As-O-Tm, expected TmAsO15 to be TmAsO4" +mp-771977,TmAsO4,-7.6827012183,-2.8624164394,0.0,-0.2459348279,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Tm,12.0,AB4C_tI24_141_a_h_b:As-O-Tm +mp-1208249,Tm(AsO)2,-6.0812667895,-1.3437768583,0.9806041681,0.9806041681,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Tm,20.0,A2B2C_tI40_141_h_h_c:As-O-Tm +mp-1192560,Y10Cd3Ni,-5.4768539718,-0.2473170365,0.0,-0.0180260108,GGA,P6_3/mmc,A3BC10_hP28_194_h_c_ahk:Cd-Ni-Y,28.0,A3BC10_hP28_194_h_c_ahk:Cd-Ni-Y +mp-1195833,Y(Cd10Ni)2,-1.6715317711000002,-0.0852474375,0.0,-0.0196752405,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Y,46.0,A20B2C_cF184_227_cfg_d_a:Cd-Ni-Y +mp-1207794,Y4CdNi,-5.72600394,-0.2978521244,0.0,-0.00953334,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ni-Y,24.0,ABC4_cF96_216_e_e_efg:Cd-Ni-Y +mp-1246936,HfMnN2,-10.1169328381,-1.1688842951,0.1027399185,0.1027399185,GGA,Pnma,ABC2_oP16_62_c_c_2c:Hf-Mn-N,16.0,ABC2_oP16_62_c_c_2c:Hf-Mn-N +mp-1246960,HfMnN2,-10.06478966,-1.116741117,0.1548830967,0.1548830967,GGA,R-3m,ABC2_hR12_166_a_b_c:Hf-Mn-N,4.0,ABC2_hR12_166_a_b_c:Hf-Mn-N +mp-975588,PuPtO3,-8.65410903,-1.6183014732,0.8616949345,0.8616949345,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pt-Pu,5.0,A3BC_cP5_221_c_b_a:O-Pt-Pu +mp-1096092,LiY2Hg,-1.8012127575,1.9851736071,2.2505809953,2.2505809953,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Li-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Li-Y +mp-1185251,LiY2Hg,-4.0335068325,-0.2471204679,0.0182869203,0.0182869203,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Li-Y,4.0,ABC2_cF16_225_a_b_c:Hg-Li-Y +mp-867810,LiYHg2,-2.6988704625,-0.453181785,0.0,-0.0081392025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Li-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Li-Y +mp-1219476,RuW,-11.02999796,0.086268425,0.1325957367,0.1325957367,GGA,P-6m2,AB_hP2_187_a_d:Ru-W,2.0,AB_hP2_187_a_d:Ru-W +mp-1093864,AlRu2W,-5.387417655,3.42571013,3.7856092608,3.7856092608,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ru-W,4.0,AB2C_oI8_71_a_e_b:Al-Ru-W +mp-1219644,Ru2W3,-11.4391845247,0.0454546293,0.0825164787,0.0825164787,GGA,Cmm2,A2B3_oC60_35_abd2f_2d3e2f:Ru-W,30.0,"Invalid WP multiplicities - A2B3_oC60_35_abd4f_2d3e4f:Ru-W, expected Ru10W13 to be Ru2W3" +mp-862655,Ru3W,-10.26482543,-0.0694909675,0.0,-0.0694909675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ru-W,8.0,A3B_hP8_194_h_c:Ru-W +mp-1184916,K3Mn,-2.4725698725000003,0.6507331608,0.6507331608,0.6507331608,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Mn,4.0,A3B_tI8_139_ad_b:K-Mn +mp-1078656,K3Mn,-2.47153312,0.6517699133,0.6517699133,0.6517699133,GGA,I4/mcm,A3B_tI16_140_ah_b:K-Mn,8.0,A3B_tI16_140_ah_b:K-Mn +mp-1184901,K3Mn,-2.4633623125,0.6599407208,0.6599407208,0.6599407208,GGA,Pm-3m,A3B_cP4_221_c_a:K-Mn,4.0,A3B_cP4_221_c_a:K-Mn +mp-1184886,K3Mn,-2.47302172,0.6502813133,0.6502813133,0.6502813133,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Mn,4.0,A3B_cF16_225_ac_b:K-Mn +mp-631254,KMnRu,-4.97432729,1.541278303,1.5430501778,1.5430501778,GGA,F-43m,ABC_cF12_216_a_b_c:K-Mn-Ru,3.0,ABC_cF12_216_a_b_c:K-Mn-Ru +mp-1185059,K3Ru,-2.1013925975,1.0500072478,1.0500072478,1.0500072478,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Ru,4.0,A3B_tI8_139_ad_b:K-Ru +mp-1185000,K3Ru,-2.101840685,1.0495591603,1.0495591603,1.0495591603,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Ru,4.0,A3B_cF16_225_ac_b:K-Ru +mp-1212672,Gd3BBr3,-9.2060389146,-1.5536327031,0.0,-0.0759856902,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Br-Gd,28.0,AB3C3_cI56_214_a_h_g:B-Br-Gd +mp-23225,BBr3,-3.82506527,-0.9904460798,0.0,-0.6647548083,GGA,P6_3/m,AB3_hP8_176_c_h:B-Br,8.0,AB3_hP8_176_c_h:B-Br +mp-685043,BBr,-4.7675925933,-0.6513825429,0.0089148436,0.0089148436,GGA,P1,AB_aP36_1_18a_18a:B-Br,36.0,AB_aP36_1_18a_18a:B-Br +mp-1106185,UCrSe3,-7.430784921,-1.1443465384,0.0180889328,0.0180889328,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cr-Se-U,20.0,AB3C_oP20_62_a_cd_c:Cr-Se-U +mp-1192655,U8CrSe17,-7.5560479477,-1.4247086142,0.0,-0.0286453031,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Cr-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Cr-Se-U +mp-981233,UCr3,-9.69248201,0.370156095,0.370156095,0.370156095,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-U,4.0,A3B_cF16_225_ac_b:Cr-U +mp-28897,BIrPd,-7.1834791708,-0.2842432506,0.0,-0.0804530133,GGA,Fdd2,ABC_oF48_43_b_b_b:B-Ir-Pd,12.0,ABC_oF48_43_b_b_b:B-Ir-Pd +mp-1183632,Cd3P,-1.82422199,0.2212709567,0.266882375,0.266882375,GGA,Pm-3m,A3B_cP4_221_c_a:Cd-P,4.0,A3B_cP4_221_c_a:Cd-P +mp-402,CdP2,-4.0372893367,-0.1207910789,0.00083937,-0.0527100513,GGA,Pna2_1,AB2_oP12_33_a_2a:Cd-P,12.0,AB2_oP12_33_a_2a:Cd-P +mp-12112,CdP2,-4.0381279646,-0.1216297068,7.421000000000001e-07,-0.0535486792,GGA,P4_12_12,AB2_tP24_92_b_2b:Cd-P,24.0,AB2_tP24_92_b_2b:Cd-P +mp-913,CdP2,-4.0381287067,-0.1216304489,0.0,-0.0535494213,GGA,P4_32_12,AB2_tP24_96_b_2b:Cd-P,24.0,AB2_tP24_96_b_2b:Cd-P +mp-10334,Pr(CdP)3,-3.8734159221,-0.4749184143,0.0087155621,0.0087155621,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Cd-P-Pr,14.0,A3B3C_hP14_194_cf_df_a:Cd-P-Pr +mp-7904,CdP4,-4.57733165,-0.0621116927,0.0108665767,0.0108665767,GGA,P2_1/c,AB4_mP10_14_a_2e:Cd-P,10.0,"Invalid WP multiplicities - AB4_mP10_14_a_3e:Cd-P, expected CdP6 to be CdP4" +mp-722960,Cd7P10,-3.6281407985,-0.0638317758,0.0434892085,0.0434892085,GGA,P1,A7B10_aP34_1_14a_20a:Cd-P,34.0,"Invalid WP multiplicities - A7B10_mC68_9_10a_16a:Cd-P, expected Cd5P8 to be Cd7P10" +mp-29576,Cd7P10,-3.6359014238,-0.0715924011,0.0357285832,0.0357285832,GGA,Fdd2,A7B10_oF136_43_a3b_5b:Cd-P,34.0,"Invalid WP multiplicities - A7B10_oF136_43_a3b_6b:Cd-P, expected Cd7P12 to be Cd7P10" +mp-2441,Cd3P2,-2.7639362792,-0.0448814206,0.0280968488,0.0280968488,GGA,P4_2/nmc,A3B2_tP40_137_3g_cdf:Cd-P,40.0,A3B2_tP40_137_3g_cdf:Cd-P +mp-1197202,Cd3P2,-2.7492812393,-0.0302263806,0.0427518888,0.0427518888,GGA,Ia-3,A3B2_cI80_206_e_ad:Cd-P,40.0,A3B2_cI80_206_e_ad:Cd-P +mp-21185,Cd3P2,-2.573611231,0.1454436277,0.218421897,0.218421897,GGA,Pn-3m,A3B2_cP10_224_d_b:Cd-P,10.0,A3B2_cP10_224_d_b:Cd-P +mp-1213851,Cd2P,-2.16498687,0.2547071389,0.3155223633,0.3155223633,GGA,Pn-3m,A2B_cP6_224_b_a:Cd-P,6.0,A2B_cP6_224_b_a:Cd-P +mp-1237637,TlC,-3.41797618,2.3776781396,2.3776781396,2.3776781396,GGA,P4mm,AB_tP2_99_a_b:C-Tl,2.0,AB_tP2_99_a_b:C-Tl +mp-1058887,TlC,-3.419934845,2.3757194746,2.3757194746,2.3757194746,GGA,P4/mmm,AB_tP2_123_a_c:C-Tl,2.0,AB_tP2_123_a_c:C-Tl +mp-1187517,TlC,-3.814419325,1.9812349946,1.9812349946,1.9812349946,GGA,P6_3mc,AB_hP4_186_b_b:C-Tl,4.0,AB_hP4_186_b_b:C-Tl +mp-1060962,TlC,-3.24306374,2.5525905796,2.5525905796,2.5525905796,GGA,Pm-3m,AB_cP2_221_a_b:C-Tl,2.0,AB_cP2_221_a_b:C-Tl +mp-567465,TlC,-3.68762741,2.1080269096,2.1080269096,2.1080269096,GGA,Fm-3m,AB_cF8_225_a_b:C-Tl,2.0,AB_cF8_225_a_b:C-Tl +mp-1092281,Ti2TlC,-7.4189764312,-0.5734032631,0.0,-0.0823283701,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Ti-Tl,8.0,AB2C_hP8_194_a_f_c:C-Ti-Tl +mp-4563,Ti3TlC,-7.49669618,-0.4411392422,0.0175833683,0.0175833683,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ti-Tl,5.0,AB3C_cP5_221_b_c_a:C-Ti-Tl +mp-865914,TiVTc2,-9.8773321675,-0.4521631733,0.0,-0.0176776475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-Ti-V,4.0,A2BC_cF16_225_c_a_b:Tc-Ti-V +mp-1096234,Ti2VTc,-5.3141308525,3.4947514096,3.7430347092,3.7430347092,GGA,Immm,AB2C_oI8_71_a_e_b:Tc-Ti-V,4.0,AB2C_oI8_71_a_e_b:Tc-Ti-V +mp-1224282,HfSeS,-7.6476118,-1.7844283418,0.0017527999999999,0.0017527999999999,GGA,P3m1,ABC_hP3_156_a_b_c:Hf-S-Se,3.0,ABC_hP3_156_a_b_c:Hf-S-Se +mp-1224418,Hf2(SeS)3,-6.7926376125,-1.4412048508,0.02886605,0.02886605,GGA,Pm,A2B3C3_mP8_6_ab_2ab_a2b:Hf-S-Se,8.0,A2B3C3_mP8_6_ab_2ab_a2b:Hf-S-Se +mp-1187230,SrSm3,-3.7972110825,0.1641018821,0.1641018821,0.1641018821,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Sr,4.0,A3B_tI8_139_ad_b:Sm-Sr +mp-1186773,SrSm3,-3.7932370175,0.1680759471,0.1680759471,0.1680759471,GGA,Pm-3m,A3B_cP4_221_c_a:Sm-Sr,4.0,A3B_cP4_221_c_a:Sm-Sr +mp-1218714,Sr2SmS3,-5.5991971067,-2.1813766663,0.1734421567,0.1734421567,GGA,P4/mmm,A3BC2_tP6_123_ah_c_g:S-Sm-Sr,6.0,A3BC2_tP6_123_ah_c_g:S-Sm-Sr +mp-34508,Sr(SmS2)2,-6.3160512571,-2.3628419442,0.0123899761,0.0123899761,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Sm-Sr,14.0,A4B2C_tI28_122_e_d_a:S-Sm-Sr +mp-1187166,Sr3Sm,-2.2640963337,0.18267029,0.18267029,0.18267029,GGA,P6_3/mmc,AB3_hP8_194_c_h:Sm-Sr,8.0,AB3_hP8_194_c_h:Sm-Sr +mp-1097423,Y2SiPd,-4.075575985,1.8089595317,2.6724782763,2.6724782763,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Si-Y,4.0,ABC2_oI8_71_a_b_e:Pd-Si-Y +mp-4822,Y(SiPd)2,-6.487604564,-0.9522304053,0.0,-0.1248239994,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-Y +mp-1215935,YSiPd,-6.6127238083,-0.9221668239,0.0884203433,0.04929579,GGA,C2/m,ABC_mC12_12_i_i_i:Pd-Si-Y,6.0,ABC_mC12_12_i_i_i:Pd-Si-Y +mp-505467,YSiPd,-6.7011441517,-1.0105871672,0.0,-0.0391245533,GGA,Pmmn,ABC_oP24_59_2e_2e_abe:Pd-Si-Y,24.0,ABC_oP24_59_2e_2e_abe:Pd-Si-Y +mp-1207726,Y2Si3Pd,-6.6278922504,-0.8964292293,0.0,-0.0913508462,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Pd-Si-Y,24.0,AB3C2_hP24_194_f_k_bh:Pd-Si-Y +mp-28024,YSiPd2,-6.5463793725,-0.9834911817,0.0,-0.0467982171,GGA,Pnma,A2BC_oP16_62_d_c_c:Pd-Si-Y,16.0,A2BC_oP16_62_d_c_c:Pd-Si-Y +mp-14244,Y3Si3Pd2,-6.7198397112,-0.96544833,0.0,-0.0033500975,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Pd-Si-Y,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_cf_c2f:Pd-Si-Y, expected Y5Si3Pd2 to be Y3Si3Pd2" +mp-1246059,Si7PbN10,-8.0718846239,-1.1243944833,0.0548656597,0.0548656597,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Pb-Si,36.0,A10BC7_mP36_7_10a_a_7a:N-Pb-Si +mp-1246561,SiPb7N6,-5.6280333957,0.188596395,0.4051951968,0.4051951968,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Pb-Si,56.0,A6B7C_oP56_60_3d_c3d_c:N-Pb-Si +mp-1246988,Si5(PbN4)2,-7.6594517906,-0.9098622112,0.1009321971,0.1009321971,GGA,Pbca,A8B2C5_oP120_61_8c_2c_5c:N-Pb-Si,120.0,A8B2C5_oP120_61_8c_2c_5c:N-Pb-Si +mp-1245777,SiPbN2,-7.024994365,-0.5722556275,0.1858401788,0.1858401788,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Pb-Si,16.0,A2BC_oP16_33_2a_a_a:N-Pb-Si +mp-1245744,SiPbN2,-6.9982841964,-0.5455454589000001,0.2125503473,0.2125503473,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Pb-Si,64.0,A2BC_oP64_61_4c_2c_2c:N-Pb-Si +mp-1246076,Si2Pb5N6,-6.2302032719,-0.1199847365,0.3465357596,0.3465357596,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Si,26.0,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Si +mp-1217910,TaMoS4,-7.8181486967,-1.2766108288,0.0190772617,0.0190772617,GGA,Pm,AB4C_mP6_6_a_2a2b_b:Mo-S-Ta,6.0,AB4C_mP6_6_a_2a2b_b:Mo-S-Ta +mp-1217917,TaMoS4,-7.8172710133,-1.2757331454,0.019954945,0.019954945,GGA,Cm,AB4C_mC12_8_a_4a_a:Mo-S-Ta,6.0,AB4C_mC12_8_a_4a_a:Mo-S-Ta +mp-1218033,Ta3MoS8,-7.96282848,-1.3369466521,0.0058077342,0.0058077342,GGA,Cm,AB8C3_mC24_8_a_8a_3a:Mo-S-Ta,12.0,AB8C3_mC24_8_a_8a_3a:Mo-S-Ta +mp-1218002,Ta2MoS6,-7.9039277556,-1.306160581,0.02090504,0.02090504,GGA,Cm,AB6C2_mC18_8_a_2a2b_b:Mo-S-Ta,9.0,AB6C2_mC18_8_a_2a2b_b:Mo-S-Ta +mp-1218051,Ta4MoS8,-8.2667395692,-1.2384042181,0.0758934713,0.0758934713,GGA,P-3m1,AB8C4_hP13_164_a_4d_2c:Mo-S-Ta,13.0,"Invalid WP multiplicities - AB8C4_hP13_164_a_8d_4c:Mo-S-Ta, expected Ta8MoS16 to be Ta4MoS8" +mp-1217790,Ta(Mo2S5)2,-7.6706275807,-1.2303024648,0.0089060707,0.0089060707,GGA,P1,A4B10C_aP15_1_4a_10a_a:Mo-S-Ta,15.0,A4B10C_aP15_1_4a_10a_a:Mo-S-Ta +mp-1348082,Ta(Mo2S5)2,-5.940820272,0.4995048439,1.7387133793,1.7387133793,GGA,P1,A4B10C_aP15_1_4a_10a_a:Mo-S-Ta,15.0,A4B10C_aP15_1_4a_10a_a:Mo-S-Ta +mp-1218028,Ta4MoS10,-7.9949182653,-1.3521676454,0.0,-0.0048198613,GGA,Cm,AB10C4_mC30_8_a_10a_4a:Mo-S-Ta,15.0,AB10C4_mC30_8_a_10a_4a:Mo-S-Ta +mp-1106367,HgS4,-3.5574351195,-0.187539153,0.0,-0.0359352774,GGA,Pbcm,AB4_oP20_57_d_2e:Hg-S,20.0,AB4_oP20_57_d_2e:Hg-S +mp-634,HgS,-2.5952677983,-0.3752026824,0.0038070067,-0.2579907118,GGA,P3_121,AB_hP6_152_a_b:Hg-S,6.0,AB_hP6_152_a_b:Hg-S +mp-9252,HgS,-2.59519428,-0.3751291641,0.003880525,-0.2579171934,GGA,P3_221,AB_hP6_154_a_b:Hg-S,6.0,AB_hP6_154_a_b:Hg-S +mp-973676,HgS,-2.596841945,-0.3767768291,0.00223286,-0.2595648584,GGA,P6_3mc,AB_hP4_186_b_b:Hg-S,4.0,AB_hP4_186_b_b:Hg-S +mp-1123,HgS,-2.599074805,-0.3790096891,0.0,-0.2617977184,GGA,F-43m,AB_cF8_216_a_c:Hg-S,2.0,AB_cF8_216_a_c:Hg-S +mp-10764,HgS,-2.42273467,-0.2026695541,0.176340135,-0.0854575834,GGA,Fm-3m,AB_cF8_225_a_b:Hg-S,2.0,AB_cF8_225_a_b:Hg-S +mp-7906,Al2HgS4,-4.5849413329,-1.1077082625,0.0,-0.029173919,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Hg-S,7.0,A2BC4_tI14_82_ac_b_g:Al-Hg-S +mp-1104053,Al2HgS4,-4.5669871529,-1.0897540825,0.01795418,-0.011219739,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Hg-S,14.0,A2BC4_cF56_227_c_b_e:Al-Hg-S +mp-974452,Re3C,-10.262144375,1.3784173869,1.4002532675,1.4002532675,GGA,Fm-3m,AB3_cF16_225_a_bc:C-Re,4.0,AB3_cF16_225_a_bc:C-Re +mp-974437,Re2C,-11.401687795,-0.0291145075,0.0,-0.0291145075,GGA,P6_3/mmc,AB2_hP6_194_c_f:C-Re,6.0,AB2_hP6_194_c_f:C-Re +mp-1104880,Lu5Re2C7,-8.4427297521,-0.4359822223,0.0,-0.0338326204,GGA,Cmmm,A7B5C2_oC28_65_aehi_bq_g:C-Lu-Re,14.0,A7B5C2_oC28_65_aehi_bq_g:C-Lu-Re +mp-1009735,ReC,-10.5929782,0.2436181387,0.2654540194,0.2654540194,GGA,P-6m2,AB_hP2_187_a_d:C-Re,2.0,AB_hP2_187_a_d:C-Re +mp-1079494,ReC,-10.222240315,0.6143560237,0.6361919044000001,0.6361919044000001,GGA,P6_3/mmc,AB_hP8_194_ac_f:C-Re,8.0,AB_hP8_194_ac_f:C-Re +mp-1009663,ReC,-10.08900001,0.7475963287,0.7694322094,0.7694322094,GGA,F-43m,AB_cF8_216_a_c:C-Re,2.0,AB_cF8_216_a_c:C-Re +mp-1009731,ReC,-9.743439275,1.0931570637,1.1149929444,1.1149929444,GGA,Pm-3m,AB_cP2_221_a_b:C-Re,2.0,AB_cP2_221_a_b:C-Re +mp-10709,ReC,-9.890112305,0.9464840337,0.9683199144,0.9683199144,GGA,Fm-3m,AB_cF8_225_a_b:C-Re,2.0,AB_cF8_225_a_b:C-Re +mp-1008802,ReC2,-9.40383697,0.89678242,0.9113396737,0.9113396737,GGA,P4/mmm,A2B_tP3_123_h_a:C-Re,3.0,A2B_tP3_123_h_a:C-Re +mp-1008806,ReC2,-8.78501749,1.5156019,1.5301591538,1.5301591538,GGA,I4/mmm,A2B_tI6_139_e_a:C-Re,3.0,A2B_tI6_139_e_a:C-Re +mp-1008805,ReC2,-9.8352770967,0.4653422933,0.4798995471,0.4798995471,GGA,P-6m2,A2B_hP3_187_h_a:C-Re,3.0,A2B_hP3_187_h_a:C-Re +mp-1019051,ReC2,-9.4870530767,0.8135663133000001,0.8281235671,0.8281235671,GGA,P6_3/mmc,A2B_hP6_194_f_c:C-Re,6.0,A2B_hP6_194_f_c:C-Re +mp-1019054,ReC2,-9.8662621583,0.4343572317,0.4489144854,0.4489144854,GGA,P6_3/mmc,A2B_hP6_194_e_c:C-Re,6.0,A2B_hP6_194_e_c:C-Re +mp-1188244,Lu2ReC2,-8.462519671,-0.473767829,0.0,-0.0644783004,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Lu-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Lu-Re +mp-1078568,Pd3N,-5.7303615975,0.2386734913,0.2386734913,0.2386734913,GGA,R-3c,AB3_hR24_167_b_e:N-Pd,8.0,AB3_hR24_167_b_e:N-Pd +mp-1079760,Pd3N,-5.7382497412,0.2307853475,0.2307853475,0.2307853475,GGA,P6_322,AB3_hP8_182_c_g:N-Pd,8.0,AB3_hP8_182_c_g:N-Pd +mp-1189239,Pd3N,-5.6793708481,0.2896642406,0.2896642406,0.2896642406,GGA,Im-3,AB3_cI32_204_c_g:N-Pd,16.0,AB3_cI32_204_c_g:N-Pd +mp-999292,Pd3N,-4.8607633325,1.1082717562,1.1082717562,1.1082717562,GGA,Pm-3m,AB3_cP4_221_a_c:N-Pd,4.0,AB3_cP4_221_a_c:N-Pd +mp-999294,Pd3N,-5.5985313475,0.3705037413,0.3705037413,0.3705037413,GGA,Pm-3m,AB3_cP4_221_a_d:N-Pd,4.0,AB3_cP4_221_a_d:N-Pd +mp-1079947,Pd3N,-4.739232035,1.2298030537,1.2298030537,1.2298030537,GGA,Pm-3n,AB3_cP8_223_a_c:N-Pd,8.0,AB3_cP8_223_a_c:N-Pd +mp-999296,Pd3N,-4.94654701,1.0224880788,1.0224880788,1.0224880788,GGA,Fm-3m,AB3_cF16_225_a_bc:N-Pd,4.0,AB3_cF16_225_a_bc:N-Pd +mp-1067644,PdN,-5.573419645,1.1847687225,1.1847687225,1.1847687225,GGA,Cmcm,AB_oC8_63_c_c:N-Pd,4.0,AB_oC8_63_c_c:N-Pd +mp-999293,PdN,-6.09482481,0.6633635575,0.6633635575,0.6633635575,GGA,P4_2/mmc,AB_tP4_131_e_c:N-Pd,4.0,AB_tP4_131_e_c:N-Pd +mp-1018018,PdN,-5.88413678,0.8740515875,0.8740515875,0.8740515875,GGA,P6_3mc,AB_hP4_186_b_b:N-Pd,4.0,AB_hP4_186_b_b:N-Pd +mp-1009601,PdN,-5.619125655,1.1390627125,1.1390627125,1.1390627125,GGA,P-6m2,AB_hP2_187_a_d:N-Pd,2.0,AB_hP2_187_a_d:N-Pd +mp-999300,PdN,-5.57059438,1.1875939875,1.1875939875,1.1875939875,GGA,P6_3/mmc,AB_hP4_194_c_d:N-Pd,4.0,AB_hP4_194_c_d:N-Pd +mp-999303,PdN,-5.8641792,0.8940091675,0.8940091675,0.8940091675,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Pd,4.0,AB_hP4_194_c_a:N-Pd +mp-973835,PdN,-5.885732055,0.8724563125,0.8724563125,0.8724563125,GGA,F-43m,AB_cF8_216_a_c:N-Pd,2.0,AB_cF8_216_a_c:N-Pd +mp-1009596,PdN,-5.423903035,1.3342853325,1.3342853325,1.3342853325,GGA,Pm-3m,AB_cP2_221_a_b:N-Pd,2.0,AB_cP2_221_a_b:N-Pd +mp-1009548,PdN,-5.805759195,0.9524291725,0.9524291725,0.9524291725,GGA,Fm-3m,AB_cF8_225_a_b:N-Pd,2.0,AB_cF8_225_a_b:N-Pd +mp-510087,Pd2N,-5.710255755,0.5218304267,0.5218304267,0.5218304267,GGA,Pnnm,AB2_oP6_58_a_g:N-Pd,6.0,AB2_oP6_58_a_g:N-Pd +mp-1019238,Pd2N,-5.7942975983,0.4377885833,0.4377885833,0.4377885833,GGA,P4/mmm,AB2_tP6_123_g_2h:N-Pd,6.0,AB2_tP6_123_g_2h:N-Pd +mp-1080191,Pd3N2,-5.908341882,0.534185174,0.534185174,0.534185174,GGA,P4/mmm,A2B3_tP5_123_g_ah:N-Pd,5.0,A2B3_tP5_123_g_ah:N-Pd +mp-1245688,Si7PdN10,-8.0037575839,-0.9747544022,0.2045057408,0.2045057408,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Pd-Si,36.0,A10BC7_mP36_7_10a_a_7a:N-Pd-Si +mp-1245372,SiPdN2,-7.1967642938,-0.3772168712,0.380878935,0.380878935,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Pd-Si,64.0,A2BC_oP64_61_4c_2c_2c:N-Pd-Si +mp-1019239,PdN2,-7.18821308,0.0960774733,0.0960774733,0.0960774733,GGA,Immm,A2B_oI6_71_e_a:N-Pd,3.0,A2B_oI6_71_e_a:N-Pd +mp-1103427,PdN2,-7.0471937058,0.2370968475,0.2370968475,0.2370968475,GGA,Pa-3,A2B_cP12_205_c_a:N-Pd,12.0,A2B_cP12_205_c_a:N-Pd +mp-1008820,PdN2,-5.8670502567,1.4172402967,1.4172402967,1.4172402967,GGA,Fm-3m,A2B_cF12_225_c_a:N-Pd,3.0,A2B_cF12_225_c_a:N-Pd +mp-7130,ScRu3C,-8.953600442,-0.2767319985,0.0,-0.030250122,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Sc,5.0,AB3C_cP5_221_b_c_a:C-Ru-Sc +mp-1179515,Sc3RuC4,-8.6182412437,-0.4699322656,0.0,-0.0951582904,GGA,C2/m,A4BC3_mC32_12_2j_i_ac2i:C-Ru-Sc,16.0,A4BC3_mC32_12_2j_i_ad2i:C-Ru-Sc +mp-8996,Sc3RuC4,-8.6157557888,-0.4674468106,0.002485455,-0.0926728354,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Ru-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Ru-Sc +mp-1184267,ErTc2W,-9.577120655,-0.0153389225,0.1546468206,0.1546468206,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Tc-W,4.0,AB2C_cF16_225_a_c_b:Er-Tc-W +mp-28753,NdI2,-4.1631870033,-1.5915602925,0.0,-0.0552172819,GGA,I4/mmm,A2B_tI6_139_e_a:I-Nd,3.0,A2B_tI6_139_e_a:I-Nd +mp-569670,LaNdI4,-4.1455131092,-1.5459097863,0.1091254889,0.1091254889,GGA,C2/c,A4BC_mC24_15_2f_e_e:I-La-Nd,12.0,"Invalid WP multiplicities - A4BC_mC24_15_4f_e_e:I-La-Nd, expected LaNdI8 to be LaNdI4" +mp-864617,NdI3,-4.0254475075,-1.7283858869,0.0,-0.5347156675,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Nd,8.0,A3B_hP8_194_h_c:I-Nd +mp-1186273,Nd3I,-4.1813420625,-0.2368899006,0.3599452091,0.3599452091,GGA,I4/mmm,AB3_tI8_139_a_bd:I-Nd,4.0,AB3_tI8_139_a_bd:I-Nd +mp-976581,Nd3I,-4.1903734888,-0.2459213269,0.3509137828,0.3509137828,GGA,P6_3/mmc,AB3_hP8_194_c_h:I-Nd,8.0,AB3_hP8_194_c_h:I-Nd +mp-1007819,CoW,-9.735639795,0.2975842175,0.3538175717,0.3538175717,GGA,Pm-3m,AB_cP2_221_a_b:Co-W,2.0,AB_cP2_221_a_b:Co-W +mp-631428,TlCoW,-6.1497851533,1.3265785706,1.3640674733,1.3640674733,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Tl-W,3.0,ABC_cF12_216_a_b_c:Co-Tl-W +mp-1183680,CoW3,-11.2387574225,0.2569196987,0.2850363758,0.2850363758,GGA,Pm-3m,AB3_cP4_221_a_c:Co-W,4.0,AB3_cP4_221_a_c:Co-W +mp-2157,Co3W,-8.655120935,-0.0843500312,0.0,-0.0843500312,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-W,8.0,A3B_hP8_194_h_c:Co-W +mp-1008274,Co3W,-8.6184927075,-0.0477218037,0.0366282275,-0.0477218037,GGA,Pm-3m,A3B_cP4_221_c_a:Co-W,4.0,A3B_cP4_221_c_a:Co-W +mp-1226034,Co4W,-8.06437364,0.213906642,0.281386667,0.281386667,GGA,R-3m,A4B_hR15_166_2c_a:Co-W,,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-W, expected Co6W to be Co4W" +mp-1105377,Co7W6,-7.5997810554,2.2084501712,2.2690091679,2.2690091679,GGA,R-3m,A7B6_hR39_166_ah_3c:Co-W,13.0,A7B6_hR39_166_ah_3c:Co-W +mp-1226162,CrW,-11.18439388,0.12119497,0.12119497,0.12119497,GGA,Cmmm,AB_oC4_65_a_c:Cr-W,2.0,AB_oC4_65_a_c:Cr-W +mp-1095944,Ta2CrW,-6.7123684225,4.8693148175,4.9481333219,4.9481333219,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Ta-W,4.0,AB2C_oI8_71_a_e_b:Cr-Ta-W +mp-684985,Zr5I18,-4.2525432858,-1.2412781793,0.0328516377,0.0328516377,GGA,P-1,A18B5_aP69_2_27i_a7i:I-Zr,69.0,"Invalid WP multiplicities - A18B5_aP69_2_53i_a13i:I-Zr, expected Zr27I106 to be Zr5I18" +mp-1338653,Zr5I18,-4.1462015413,-1.1349364348,0.1391933822,0.1391933822,GGA,P-1,A18B5_aP69_2_27i_a7i:I-Zr,69.0,"Invalid WP multiplicities - A18B5_aP69_2_53i_a13i:I-Zr, expected Zr27I106 to be Zr5I18" +mp-570188,ZrI3,-4.5268456038,-1.2848956838,0.0,-0.0499842279,GGA,Pmmn,A3B_oP16_59_ab2e_f:I-Zr,16.0,"Invalid WP multiplicities - A3B_oP16_59_2a2b6e_f:I-Zr, expected ZrI8 to be ZrI3" +mp-23282,ZrI3,-4.5261935738,-1.2842436538,0.00065203,-0.0493321979,GGA,P6_3/mcm,A3B_hP8_193_g_b:I-Zr,8.0,A3B_hP8_193_g_b:I-Zr +mp-1183714,Co3I,-5.069642745,0.6299371887,0.7363682531,0.7363682531,GGA,I4/mmm,A3B_tI8_139_ad_b:Co-I,4.0,A3B_tI8_139_ad_b:Co-I +mp-1183756,Co3I,-5.1624260625,0.5371538712,0.6435849356000001,0.6435849356000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-I,8.0,A3B_hP8_194_h_c:Co-I +mp-571279,ZrI2,-5.010479055,-1.1790012783,0.0001159017,-0.0368717817,GGA,P2_1/m,A2B_mP12_11_4e_2e:I-Zr,12.0,"Invalid WP multiplicities - A2B_mP12_11_7e_4e:I-Zr, expected Zr4I7 to be ZrI2" +mp-570506,ZrI2,-5.0105949567,-1.17911718,0.0,-0.0369876833,GGA,Pmn2_1,A2B_oP12_31_4a_2a:I-Zr,12.0,"Invalid WP multiplicities - A2B_oP12_31_7a_3a:I-Zr, expected Zr3I7 to be ZrI2" +mp-28241,ZrI2,-4.9309634906,-1.0994857139,0.0796314661,0.0426437828,GGA,R-3,A2B_hR54_148_2f_f:I-Zr,18.0,A2B_hR54_148_2f_f:I-Zr +mp-1188012,Zr3I,-6.71119143,0.06792563,0.5100945725,0.5100945725,GGA,Pm-3m,AB3_cP4_221_a_c:I-Zr,4.0,AB3_cP4_221_a_c:I-Zr +mp-541112,ZrI4,-4.1335784,-1.245345194,0.0230428273,-0.1033692691,GGA,P-1,A4B_aP20_2_8i_2i:I-Zr,20.0,A4B_aP20_2_8i_2i:I-Zr +mp-1188071,ZrI4,-4.131197494,-1.242964288,0.0254237333,-0.1009883631,GGA,P-1,A4B_aP20_2_8i_2i:I-Zr,20.0,A4B_aP20_2_8i_2i:I-Zr +mp-571235,ZrI4,-4.1566212273,-1.2683880213,0.0,-0.1264120964,GGA,P2/c,A4B_mP30_13_6g_eg:I-Zr,30.0,"Invalid WP multiplicities - A4B_mP30_13_22g_2e2g:I-Zr, expected Zr3I22 to be ZrI4" +mp-569610,CoI2,-3.63549967,-0.2838161717,0.0,-0.2838161717,GGA,P-3m1,AB2_hP3_164_a_d:Co-I,3.0,AB2_hP3_164_a_d:Co-I +mp-1207507,Zr6CoI14,-4.9563740462,-1.1934383093,0.0,-0.0158566125,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:Co-I-Zr,42.0,AB14C6_oC84_64_a_def2g_fg:Co-I-Zr +mp-1263,URu3,-10.1057025225,-0.327048115,0.0,-0.3159780512,GGA,Pm-3m,A3B_cP4_221_c_a:Ru-U,4.0,A3B_cP4_221_c_a:Ru-U +mp-1206236,U2Ru,-10.6485943567,-0.02952017,0.1158345478,0.1158345478,GGA,Cmmm,AB2_oC12_65_g_ach:Ru-U,,AB2_mC12_12_i_aci:Ru-U +mp-20705,U2SnRu2,-9.330530568,-0.302291177,0.0,-0.0551991473,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ru-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Ru-Sn-U +mp-19811,USnRu,-8.4582601333,-0.2664653317,0.0007853303,0.0007853303,GGA,P-62m,ABC_hP9_189_ad_g_f:Ru-Sn-U,9.0,ABC_hP9_189_ad_g_f:Ru-Sn-U +mp-1246219,ZrMoN3,-9.7748100355,-0.8942429325000001,0.1126297969,0.1126297969,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Zr,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Zr +mp-1095811,LiY2Ga,-2.40874249,2.058747789,2.4173461935,2.4173461935,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Li-Y,4.0,ABC2_oI8_71_a_b_e:Ga-Li-Y +mp-1185244,LiY2Ga,-4.8149740775000005,-0.3474837985,0.011114606,0.011114606,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Y,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Y +mp-1096646,Li2YGa,-1.574993085,1.7531101323,2.0870953496,2.0870953496,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Li-Y,4.0,AB2C_oI8_71_a_e_b:Ga-Li-Y +mp-11743,LiYGa4,-3.915862435,-0.5012327567,0.0,-0.0376635392,GGA,P-6m2,A4BC_hP6_187_hi_a_b:Ga-Li-Y,6.0,"Invalid WP multiplicities - A4BC_hP6_187_2h2i_a_b:Ga-Li-Y, expected LiYGa8 to be LiYGa4" +mp-1795,NbF3,-6.90030694,-2.9413714544,0.1671103097,0.1671103097,GGA,Pm-3m,A3B_cP4_221_c_b:F-Nb,4.0,A3B_cP4_221_c_b:F-Nb +mp-1416,NbF4,-6.739310016,-3.189865834,0.0679487279,0.0679487279,GGA,I4/mmm,A4B_tI10_139_ce_a:F-Nb,5.0,"Invalid WP multiplicities - A4B_tI10_139_c2e_a:F-Nb, expected NbF6 to be NbF4" +mp-466,Nb2F5,-7.2532447538,-3.0018154799,0.0,-0.124069971,GGA,Im-3m,A5B2_cI42_229_bh_e:F-Nb,21.0,A5B2_cI42_229_bh_e:F-Nb +mp-18687,NbF5,-6.63381974,-3.3573697604,0.0,-0.6991482321,GGA,C2/m,A5B_mC48_12_2i4j_gi:F-Nb,24.0,A5B_mC48_12_2i4j_gi:F-Nb +mp-1186248,NbF5,-6.5832354592,-3.3067854796,0.0505842808,-0.6485639512,GGA,C2/m,A5B_mC48_12_2i4j_gi:F-Nb,24.0,A5B_mC48_12_2i4j_gi:F-Nb +mp-27472,NbSbF10,-5.7606893929,-2.9819313967000003,0.0,-0.0155913385,GGA,P-1,A10BC_aP24_2_10i_i_i:F-Nb-Sb,24.0,A10BC_aP24_2_10i_i_i:F-Nb-Sb +mp-21719,Sc2V3Ge4,-7.1147653753,-0.6249022819,0.0,-0.0576273473,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Sc-V,36.0,A4B2C3_oP36_62_2cd_d_cd:Ge-Sc-V +mp-1219583,Sc(VGe)5,-7.2296555809,-0.42355206,0.024046641,0.024046641,GGA,C2/m,A5BC5_mC44_12_g4i_i_3ij:Ge-Sc-V,22.0,A5BC5_mC44_12_g4i_i_3ij:Ge-Sc-V +mp-1210135,Sc3(VGe2)2,-6.5574435628,-0.3732956878,0.3245983104,0.3245983104,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Sc-V,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Sc-V +mp-1216313,VNi,-7.44481718,-0.012795805,0.1952638898,0.1952638898,GGA,R-3m,AB_hR6_166_a_b:Ni-V,2.0,AB_hR6_166_a_b:Ni-V +mp-1216708,V3Ni2,-7.9499430057,-0.1875446917,0.0,-0.0003463989,GGA,P2/m,A2B3_mP30_10_ce2m3n_3m2n2o:Ni-V,30.0,"Invalid WP multiplicities - A2B3_mP30_10_ae2m3n_3m2n4o:Ni-V, expected V13Ni6 to be V3Ni2" +mp-961690,VGaNi,-5.6595701,0.3044761575,0.6008006850000001,0.6008006850000001,GGA,F-43m,ABC_cF12_216_a_b_c:Ga-Ni-V,3.0,ABC_cF12_216_a_b_c:Ga-Ni-V +mp-30658,VGaNi2,-6.2031320625,-0.2850631994,0.0223659731,0.0223659731,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-V,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-V +mp-7226,V3Ni,-8.4141946613,-0.1562309388,0.0,-0.0390155065,GGA,Pm-3n,AB3_cP8_223_a_c:Ni-V,8.0,AB3_cP8_223_a_c:Ni-V +mp-1216314,VNi3,-6.70163842,-0.0955593925,0.1465843125,0.0861291325,GGA,P4/mmm,A3B_tP4_123_ah_b:Ni-V,4.0,"Invalid WP multiplicities - A3B_tP4_123_a2h_b:Ni-V, expected VNi5 to be VNi3" +mp-171,VNi3,-6.8482227325,-0.242143705,0.0,-0.06045518,GGA,I4/mmm,A3B_tI8_139_ad_b:Ni-V,4.0,A3B_tI8_139_ad_b:Ni-V +mp-1216317,VNi3,-6.63107724,-0.0249982125,0.2171454925,0.1566903125,GGA,R-3m,A3B_hR12_166_ac_b:Ni-V,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Ni-V, expected VNi5 to be VNi3" +mp-11531,VNi2,-7.12364451,-0.2422513667,0.0,-0.0131074267,GGA,Immm,A2B_oI6_71_e_a:Ni-V,3.0,A2B_oI6_71_e_a:Ni-V +mp-1216351,VGaNi6,-6.1502869863,-0.3011842147,0.0,-0.0346591212,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ga-Ni-V,8.0,AB6C_tP8_123_a_cdi_b:Ga-Ni-V +mp-1187569,YbInO3,-5.8906581,-2.0643864713,0.3866665711,0.3866665711,GGA,Pm-3m,AB3C_cP5_221_b_c_a:In-O-Yb,,AB3C_cP5_221_b_c_a:In-O-Yb +mp-504687,USnTe,-6.7184337117,-0.5703377922,0.0,-0.0157498947,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sn-Te-U,6.0,ABC_tP6_129_a_c_c:Sn-Te-U +mp-1217935,TaFe4W,-9.8932320383,-0.1105665883,0.0,-0.0009382988,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Ta-W,12.0,A4BC_hP12_164_abi_d_d:Fe-Ta-W +mp-1097491,Ta2FeW,-6.562769575,4.7231571,4.8549482,4.8549482,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Ta-W,4.0,AB2C_oI8_71_a_e_b:Fe-Ta-W +mp-1227244,Fe74W13,-9.0807304408,0.0599277492,0.0703586769,0.0703586769,GGA,Fmm2,A74B13_oF348_42_2c7d14e_ac3de:Fe-W,87.0,"Invalid WP multiplicities - A74B13_oF348_42_13c4d56e_a6c2d2e:Fe-W, expected Fe258W25 to be Fe74W13" +mp-1473,Fe7W6,-10.5575857923,-0.01612965,0.0026645362,0.0026645362,GGA,R-3m,A7B6_hR39_166_ah_3c:Fe-W,13.0,A7B6_hR39_166_ah_3c:Fe-W +mp-1184280,Fe3W,-9.5226089075,0.0694395575,0.0868913019,0.0868913019,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-W,8.0,A3B_hP8_194_h_c:Fe-W +mp-1184225,Fe3W,-9.5271919025,0.0648565625,0.0823083069,0.0823083069,GGA,Pm-3m,A3B_cP4_221_c_a:Fe-W,4.0,A3B_cP4_221_c_a:Fe-W +mp-20868,Fe2W,-9.9893265425,-0.0232689925,0.0,-0.0116198008,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Fe-W,12.0,A2B_hP12_194_ah_f:Fe-W +mp-1246519,Mg9(MnN4)2,-5.9366836963,-0.7041305156000001,0.1244925965,0.1244925965,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Mg-Mn-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Mg-Mn-N +mp-1245829,Mg(Mn5N4)2,-8.8703180721,-0.4538763684,0.0470612457,0.0470612457,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Mg-Mn-N,19.0,AB10C8_mC38_12_a_5i_4i:Mg-Mn-N +mp-1246692,Mg8Mn3N8,-6.2784390184,-0.6478997723000001,0.1436934871,0.1436934871,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Mg-Mn-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Mg-Mn-N +mp-1246257,MgMn5N4,-8.405035221,-0.3294015999999999,0.2143356405,0.2143356405,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Mg-Mn-N,20.0,AB5C4_oP20_59_a_bg_ef:Mg-Mn-N +mp-1245719,MgMnN2,-7.4912940756,-0.6324727776,0.1211756519,0.035875705,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Mg-Mn-N,16.0,ABC2_oP16_33_a_a_2a:Mg-Mn-N +mp-1245658,MgMnN2,-7.4339329514,-0.5751116534,0.1785367761,0.0932368292,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Mg-Mn-N,64.0,ABC2_oP64_61_2c_2c_4c:Mg-Mn-N +mp-1245970,MgMnN2,-7.482300655,-0.623479357,0.1301690725,0.0448691256,GGA,I-42d,ABC2_tI16_122_a_b_d:Mg-Mn-N,8.0,ABC2_tI16_122_a_b_d:Mg-Mn-N +mp-1247154,MgMnN2,-7.6124697275,-0.7536484295,0.0,-0.0852999469,GGA,R-3m,ABC2_hR12_166_a_b_c:Mg-Mn-N,4.0,ABC2_hR12_166_a_b_c:Mg-Mn-N +mp-1029288,Mg2MnN3,-6.9604161758,-0.7317394813,0.0194485941,0.0194485941,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Mg-Mn-N,12.0,A2BC3_oC24_36_b_a_ab:Mg-Mn-N +mp-1402707,Mg2MnN2,-6.469372574,-0.6622595256,0.0925478751,0.0925478751,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Mg-Mn-N,10.0,A2BC2_mC20_12_2i_i_2i:Mg-Mn-N +mp-1414188,Mg(MnN)2,-7.366105496,-0.0466453992,0.5674485614,0.5674485614,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Mg-Mn-N,5.0,AB2C2_tP5_115_a_f_g:Mg-Mn-N +mp-1247497,Mg5MnN4,-5.710959895,-0.6600203708,0.1651437499,0.1651437499,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Mg-Mn-N,20.0,A5BC4_oP20_59_ag_b_ef:Mg-Mn-N +mp-1246522,Mg4MnN4,-6.1789588117,-0.7446126792000001,0.0878537565,0.0878537565,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Mg-Mn-N,18.0,A4BC4_aP18_2_4i_i_4i:Mg-Mn-N +mp-1245338,Mg8(MnN3)3,-6.44810683,-0.6822697999,0.1247256552,0.1247256552,GGA,P2/c,A8B3C9_mP40_13_4g_eg_e4g:Mg-Mn-N,40.0,A8B3C9_mP40_13_4g_eg_e4g:Mg-Mn-N +mp-1211954,IrN3,-8.3816547294,0.0803250094,0.0803250094,0.0803250094,GGA,Im-3,AB3_cI32_204_c_g:Ir-N,16.0,AB3_cI32_204_c_g:Ir-N +mp-415,IrN2,-8.3386297583,0.1651782517,0.1651782517,0.1651782517,GGA,P2_1/c,AB2_mP12_14_e_2e:Ir-N,12.0,AB2_mP12_14_e_2e:Ir-N +mp-13076,IrN2,-8.2880313983,0.2157766117,0.2157766117,0.2157766117,GGA,Pnnm,AB2_oP6_58_a_g:Ir-N,6.0,AB2_oP6_58_a_g:Ir-N +mp-1009049,IrN2,-7.71485254,0.78895547,0.78895547,0.78895547,GGA,P-6m2,AB2_hP3_187_a_h:Ir-N,3.0,AB2_hP3_187_a_h:Ir-N +mp-1018733,IrN2,-7.754469805,0.749338205,0.749338205,0.749338205,GGA,P6_3/mmc,AB2_hP6_194_c_e:Ir-N,6.0,AB2_hP6_194_c_e:Ir-N +mp-1102235,IrN2,-8.1943252383,0.3094827717,0.3094827717,0.3094827717,GGA,Pa-3,AB2_cP12_205_a_c:Ir-N,12.0,AB2_cP12_205_a_c:Ir-N +mp-1247371,Fe4IrN4,-8.3886729239,0.062938045,0.3426152339,0.3426152339,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Fe-Ir-N,18.0,A4BC4_aP18_2_4i_i_4i:Fe-Ir-N +mp-1007660,IrN,-8.2292754025,0.35818915,0.35818915,0.35818915,GGA,P4_2/mmc,AB_tP4_131_c_e:Ir-N,4.0,AB_tP4_131_c_e:Ir-N +mp-1184774,IrN,-8.0032063675,0.584258185,0.584258185,0.584258185,GGA,P6_3mc,AB_hP4_186_b_b:Ir-N,4.0,AB_hP4_186_b_b:Ir-N +mp-1009015,IrN,-7.240918595,1.3465459575,1.3465459575,1.3465459575,GGA,P-6m2,AB_hP2_187_a_d:Ir-N,2.0,AB_hP2_187_a_d:Ir-N +mp-1066162,IrN,-7.575442825,1.0120217275,1.0120217275,1.0120217275,GGA,P6_3/mmc,AB_hP4_194_a_c:Ir-N,4.0,AB_hP4_194_a_c:Ir-N +mp-1008987,IrN,-8.011211965,0.5762525875,0.5762525875,0.5762525875,GGA,F-43m,AB_cF8_216_a_c:Ir-N,2.0,AB_cF8_216_a_c:Ir-N +mp-1018734,IrN,-7.8683356017,0.7191289508,0.7191289508,0.7191289508,GGA,Pm-3m,AB_cP6_221_c_d:Ir-N,6.0,AB_cP6_221_c_d:Ir-N +mp-1009005,IrN,-7.08748989,1.4999746625,1.4999746625,1.4999746625,GGA,Pm-3m,AB_cP2_221_a_b:Ir-N,2.0,AB_cP2_221_a_b:Ir-N +mp-1008986,IrN,-7.302144565,1.2853199875,1.2853199875,1.2853199875,GGA,Fm-3m,AB_cF8_225_a_b:Ir-N,2.0,AB_cF8_225_a_b:Ir-N +mp-1246498,Fe2IrN3,-8.4560440883,0.0086161408,0.2183740325,0.2183740325,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Fe-Ir-N,12.0,A2BC3_oC24_36_b_a_ab:Fe-Ir-N +mp-1246396,Rb6ReN4,-4.7807752177000005,-0.0831650977,0.1508202045,0.1508202045,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Rb-Re,22.0,A4B6C_tP22_137_g_df_a:N-Rb-Re +mp-1219567,RbN3,-6.1131922575,0.3843124544,0.7966038788,0.3843124544,GGA,Amm2,A3B_oC8_38_ad_b:N-Rb,4.0,A3B_oC8_38_ad_b:N-Rb +mp-581833,RbN3,-6.8955997525,-0.3980950406,0.0141963837,-0.3980950406,GGA,P4/mmm,A3B_tP4_123_ag_d:N-Rb,4.0,A3B_tP4_123_ag_d:N-Rb +mp-743,RbN3,-6.9097961362,-0.4122914244,0.0,-0.4122914244,GGA,I4/mcm,A3B_tI16_140_dh_a:N-Rb,8.0,A3B_tI16_140_dh_a:N-Rb +mp-1064529,RbN,-3.4188786725,1.2396358262,1.5144967758,1.5144967758,GGA,Pmmn,AB_oP4_59_a_b:N-Rb,4.0,AB_oP4_59_a_b:N-Rb +mp-1066707,RbN,-3.4202642175,1.2382502813,1.5131112308,1.5131112308,GGA,Pmmn,AB_oP4_59_a_b:N-Rb,4.0,AB_oP4_59_a_b:N-Rb +mp-1179691,RbN,-3.42212547,1.2363890288,1.5112499783,1.5112499783,GGA,Immm,AB_oI4_71_a_b:N-Rb,2.0,AB_oI4_71_a_b:N-Rb +mp-1209103,RbN,-3.4194379,1.2390765988,1.5139375483,1.5139375483,GGA,Pm-3m,AB_cP2_221_a_b:N-Rb,2.0,AB_cP2_221_a_b:N-Rb +mp-1209181,RbN,-3.41405807,1.2444564287,1.5193173783,1.5193173783,GGA,Fm-3m,AB_cF8_225_a_b:N-Rb,2.0,AB_cF8_225_a_b:N-Rb +mp-1080850,RbReN2,-7.8931114084,-0.3685986316,0.0,-0.093737682,GGA,Pbcm,A2BC_oP32_57_ade_cd_cd:N-Rb-Re,32.0,A2BC_oP32_57_ade_cd_cd:N-Rb-Re +mp-1195798,Yb5P12Ru19,-7.6847143903,-0.7716221753,0.0011953189,0.0011953189,GGA,P-62m,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Yb,,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Yb +mp-568095,Yb(PRu)2,-7.19755752,-1.0145538453,0.0,-0.2664213467,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Ru-Yb,,A2B2C_tI10_139_e_d_a:P-Ru-Yb +mp-1219528,Sb2O7,-5.7905058928,-1.0255255085,0.3055976742,0.3055976742,GGA,Ima2,A7B2_oI36_46_3b2c_ab:O-Sb,18.0,"Invalid WP multiplicities - A7B2_oI36_46_5b6c_ab:O-Sb, expected Sb2O17 to be Sb2O7" +mp-684679,Sb6O13,-6.4708046292,-1.7823330141,0.0092556716,0.0092556716,GGA,P2_1/m,A13B6_mP38_11_5e4f_abc3e:O-Sb,38.0,"Invalid WP multiplicities - A13B6_mP38_11_9e12f_2abc6e:O-Sb, expected Sb10O33 to be Sb6O13" +mp-1219481,Sb6O13,-6.4654946753,-1.7770230602,0.0145656255,0.0145656255,GGA,Imm2,A13B6_oI38_44_2a3b2e_2cd:O-Sb,19.0,A13B6_oI38_44_2a3b2e_2cd:O-Sb +mp-771699,Sb2O5,-6.3829449232,-1.6698812037,0.0415628882,-0.003270307,GGA,P2_1/c,A5B2_mP28_14_5e_2e:O-Sb,28.0,"Invalid WP multiplicities - A5B2_mP28_14_17e_7e:O-Sb, expected Sb7O17 to be Sb2O5" +mp-1399685,Sb2O5,-6.2384343457,-1.5253706262,0.1860734657,0.1412402705,GGA,Pbam,A5B2_oP14_55_agh_g:O-Sb,14.0,A5B2_oP14_55_agh_g:O-Sb +mp-1402032,Sb2O5,-6.3761969043,-1.6631331848,0.0483109071,0.0034777119,GGA,Pmmn,A5B2_oP14_59_a2e_e:O-Sb,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:O-Sb, expected Sb2O7 to be Sb2O5" +mp-1043381,Sb2O5,-6.4245078114,-1.711444092,0.0,-0.0448331952,GGA,Cmcm,A5B2_oC28_63_c2f_f:O-Sb,14.0,"Invalid WP multiplicities - A5B2_oC28_63_2c5f_f:O-Sb, expected SbO6 to be Sb2O5" +mp-647533,Sb2O5,-5.3732484496,-0.6601847302,1.0512593618,1.0064261666,GGA,Fd-3m,A5B2_cF112_227_cdf_e:O-Sb,28.0,"Invalid WP multiplicities - A5B2_cF112_227_3c3d4f_e:O-Sb, expected SbO9 to be Sb2O5" +mp-1105545,SbO3,-6.05017518,-1.3079083366,0.1896052439,0.1896052439,GGA,P2_1/c,A3B_mP16_14_3e_e:O-Sb,16.0,A3B_mP16_14_3e_e:O-Sb +mp-726085,SbO3,-6.0747465437,-1.3324797003,0.1650338802,0.1650338802,GGA,Fd-3m,A3B_cF64_227_f_c:O-Sb,16.0,A3B_cF64_227_f_c:O-Sb +mp-1356631,SbO2,-6.3516956872,-1.6775694664,0.1607702324,0.0985485194,GGA,P1,A2B_aP36_1_24a_12a:O-Sb,36.0,A2B_aP36_1_24a_12a:O-Sb +mp-1044869,SbO2,-6.3432743947,-1.6691481739,0.1691915249,0.1069698119,GGA,P1,A2B_aP36_1_24a_12a:O-Sb,36.0,A2B_aP36_1_24a_12a:O-Sb +mp-1402558,SbO2,-6.3513045242,-1.6771783033,0.1611613954,0.0989396825,GGA,P-1,A2B_aP12_2_4i_2i:O-Sb,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_3i:O-Sb, expected Sb3O7 to be SbO2" +mp-1377931,SbO2,-6.2657294258,-1.5916032050000002,0.2467364937,0.1845147808,GGA,P-1,A2B_aP24_2_8i_4i:O-Sb,24.0,"Invalid WP multiplicities - A2B_aP24_2_13i_5i:O-Sb, expected Sb5O13 to be SbO2" +mp-1350908,SbO2,-6.3405533867,-1.6664271658,0.1719125329,0.10969082,GGA,Cm,A2B_mC96_8_16a8b_8a4b:O-Sb,48.0,"Invalid WP multiplicities - A2B_mC96_8_16a16b_8a7b:O-Sb, expected Sb11O24 to be SbO2" +mp-1819,SbO2,-6.51052983,-1.8364036092,0.0019360896,-0.0602856233,GGA,C2/c,A2B_mC24_15_2f_ce:O-Sb,12.0,A2B_mC24_15_2f_ae:O-Sb +mp-230,SbO2,-6.5124659196,-1.8383396988,0.0,-0.0622217129,GGA,Pna2_1,A2B_oP24_33_4a_2a:O-Sb,24.0,A2B_oP24_33_4a_2a:O-Sb +mp-560098,SbO2,-6.5113091567,-1.8371829358,0.0011567629,-0.06106495,GGA,Pnna,A2B_oP24_52_2e_cd:O-Sb,24.0,"Invalid WP multiplicities - A2B_oP24_52_11e_4c4d:O-Sb, expected Sb4O11 to be SbO2" +mp-1179587,SbO2,-6.4072224517,-1.7330962308000002,0.1052434679,0.043021755,GGA,Pnna,A2B_oP24_52_2e_cd:O-Sb,24.0,"Invalid WP multiplicities - A2B_oP24_52_12e_3c3d:O-Sb, expected SbO4 to be SbO2" +mp-1044574,SbO2,-6.4218002025,-1.7476739817,0.0906657171,0.0284440042,GGA,Pmmn,A2B_oP24_59_2eg_ce:O-Sb,24.0,A2B_oP24_59_2eg_ce:O-Sb +mp-1374616,SbO2,-6.3668891692,-1.6927629483,0.1455767504,0.0833550375,GGA,Pnma,A2B_oP24_62_4c_2c:O-Sb,24.0,A2B_oP24_62_4c_2c:O-Sb +mp-1047300,SbO2,-6.2322610725,-1.5581348517,0.2802048471,0.2179831342,GGA,Cmcm,A2B_oC24_63_acf_f:O-Sb,12.0,A2B_oC24_63_acf_f:O-Sb +mp-1400172,SbO2,-6.2401156058,-1.565989385,0.2723503137,0.2101286008,GGA,Imma,A2B_oI24_74_hi_ac:O-Sb,12.0,"Invalid WP multiplicities - A2B_oI24_74_2h3i_ac:O-Sb, expected SbO5 to be SbO2" +mp-1045682,SbO2,-6.3753267542,-1.7012005333,0.1371391654,0.0749174525,GGA,Imma,A2B_oI24_74_hi_ae:O-Sb,12.0,"Invalid WP multiplicities - A2B_oI24_74_3h2i_ae:O-Sb, expected SbO5 to be SbO2" +mp-1044716,SbO2,-6.19657841,-1.5224521892,0.3158875096,0.2536657967,GGA,R3m,A2B_hR36_160_2a2b_ab:O-Sb,12.0,A2B_hR36_160_2a2b_ab:O-Sb +mp-1419175,SbO2,-6.1256979133,-1.4515716925,0.3867680062,0.3245462933,GGA,R-3m,A2B_hR9_166_c_a:O-Sb,3.0,A2B_hR9_166_c_a:O-Sb +mp-1398749,SbO2,-4.79869639,-0.1245701692,1.7137695296,1.6515478167,GGA,P6_3/mmc,A2B_hP6_194_f_c:O-Sb,6.0,A2B_hP6_194_f_c:O-Sb +mp-1041974,SbO2,-6.1117857683,-1.4376595475,0.4006801512,0.3384584383,GGA,P6_3/mmc,A2B_hP6_194_f_a:O-Sb,6.0,A2B_hP6_194_f_a:O-Sb +mp-13866,SbO2,-6.1726604604,-1.4985342396,0.3398054592,0.2775837463,GGA,Fd-3m,A2B_cF96_227_abf_cd:O-Sb,24.0,A2B_cF96_227_abf_cd:O-Sb +mp-22071,SbO2,-6.0525797946,-1.3784535737,0.459886125,0.3976644121,GGA,Fd-3m,A2B_cF96_227_cf_e:O-Sb,24.0,A2B_cF96_227_cf_e:O-Sb +mp-1388164,SbO2,-6.1040494783,-1.4299232575,0.4084164412,0.3461947283,GGA,Fd-3m,A2B_cF48_227_e_c:O-Sb,12.0,A2B_cF48_227_e_c:O-Sb +mp-1219511,SbO4,-5.520212929,-0.737061712,0.4609491524,0.4609491524,GGA,Imma,A4B_oI40_74_a3ej_bc:O-Sb,20.0,"Invalid WP multiplicities - A4B_oI40_74_a5e3j_bc:O-Sb, expected SbO9 to be SbO4" +mp-1044095,Sb3O7,-6.365165859,-1.6637833891,0.0857293849,0.0857293849,GGA,Imma,A7B3_oI40_74_eij_af:O-Sb,20.0,"Invalid WP multiplicities - A7B3_oI40_74_eij_a2f:O-Sb, expected Sb5O7 to be Sb3O7" +mp-1219514,Sb3O7,-6.3987010565,-1.6973185866,0.0521941874,0.0521941874,GGA,Imma,A7B3_oI40_74_3ej_abc:O-Sb,20.0,"Invalid WP multiplicities - A7B3_oI40_74_5e4j_abc:O-Sb, expected SbO7 to be Sb3O7" +mp-1197211,Sb3O8,-6.3403230197,-1.6166399824000002,0.0170111963,0.0170111963,GGA,P2/c,A8B3_mP66_13_12g_e4g:O-Sb,66.0,A8B3_mP66_13_12g_e4g:O-Sb +mp-1041270,Sb4O9,-6.2601822031,-1.5650896368,0.2049216583,0.2049216583,GGA,P2/m,A9B4_mP26_10_5m4n_4m:O-Sb,26.0,"Invalid WP multiplicities - A9B4_mP26_10_8m8n_7m:O-Sb, expected Sb7O16 to be Sb4O9" +mp-1205345,Sb2O3,-6.365620677,-1.7460069542,0.006493924,-0.0915012254,GGA,P2_1/c,A3B2_mP20_14_3e_2e:O-Sb,20.0,A3B2_mP20_14_3e_2e:O-Sb +mp-1202960,Sb2O3,-6.339627706,-1.7200139832,0.032486895,-0.0655082544,GGA,P2_12_12_1,A3B2_oP40_19_6a_4a:O-Sb,40.0,A3B2_oP40_19_6a_4a:O-Sb +mp-2136,Sb2O3,-6.372114601,-1.7525008782,0.0,-0.0979951494,GGA,Pccn,A3B2_oP20_56_ce_e:O-Sb,20.0,A3B2_oP20_56_ce_e:O-Sb +mp-560607,Sb2O3,-6.201975552,-1.5823618292,0.170139049,0.0721438996,GGA,Pmmn,A3B2_oP10_59_ae_e:O-Sb,10.0,"Invalid WP multiplicities - A3B2_oP10_59_a2e_e:O-Sb, expected Sb2O5 to be Sb2O3" +mp-1046803,Sb2O3,-6.1119277365,-1.4923140137,0.2601868645,0.1621917151,GGA,Cmcm,A3B2_oC40_63_ac2f_2f:O-Sb,20.0,A3B2_oC40_63_ac2f_2f:O-Sb +mp-1999,Sb2O3,-6.3636272965,-1.7440135738,0.0084873045,-0.0895078449,GGA,Fd-3m,A3B2_cF80_227_f_e:O-Sb,20.0,A3B2_cF80_227_f_e:O-Sb +mp-675957,Sb26O53,-6.0816066918,-1.4040303128,0.4230654714,0.4230654714,GGA,P1,A53B26_aP79_1_53a_26a:O-Sb,79.0,A53B26_aP79_1_53a_26a:O-Sb +mp-1173348,Sb26O53,-6.0854793343,-1.4079029554,0.4191928289,0.4191928289,GGA,P1,A53B26_aP79_1_53a_26a:O-Sb,79.0,A53B26_aP79_1_53a_26a:O-Sb +mp-1186920,SbAuO3,-5.34703573,-0.8984458552000001,0.3760011377,0.3760011377,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Au-O-Sb,5.0,AB3C_cP5_221_a_c_b:Au-O-Sb +mp-1219538,Sb5O14,-6.2275718158,-1.496064018,0.0802660667,0.0802660667,GGA,P2_1/m,A14B5_mP38_11_2e6f_a2f:O-Sb,38.0,"Invalid WP multiplicities - A14B5_mP38_11_2e12f_a2f:O-Sb, expected Sb5O26 to be Sb5O14" +mp-1179595,Sb3O14,-5.0213040791,-0.2189131569,0.8381552528,0.8381552528,GGA,P2_1/m,A14B3_mP34_11_2e6f_af:O-Sb,34.0,A14B3_mP34_11_2e6f_af:O-Sb +mp-1203602,Sb3O14,-4.856321675,-0.0539307528,1.0031376569,1.0031376569,GGA,P2_1/m,A14B3_mP34_11_2e6f_af:O-Sb,34.0,A14B3_mP34_11_2e6f_af:O-Sb +mp-1104018,Nd5(MnB3)2,-6.69009427,-0.3638543953,0.0119147167,0.0119147167,GGA,R-3m,A6B2C5_hR39_166_f_c_b2c:B-Mn-Nd,13.0,A6B2C5_hR39_166_f_c_b2c:B-Mn-Nd +mp-1191986,NdMnB4,-7.2844185867,-0.5097969520000001,0.0132252189,0.0132252189,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Nd,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Nd +mp-1204414,Tm(BRh)4,-7.3207740233,-0.5818146915,0.011561841,0.011561841,GGA,Ccce,A4B4C_oC108_68_3i_3i_ae:B-Rh-Tm,54.0,A4B4C_oC108_68_3i_3i_ae:B-Rh-Tm +mp-1105638,Tm(BRh)4,-7.3177856906,-0.5788263587,0.0145501738,0.0145501738,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Rh-Tm,18.0,A4B4C_tP18_137_g_g_a:B-Rh-Tm +mp-1076960,TmB2Rh3,-7.364129895,-0.7095394658,0.0156775041,0.0156775041,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Rh-Tm,6.0,A2B3C_hP6_191_c_g_a:B-Rh-Tm +mp-5438,TmBRh3,-7.473258072,-0.8236279112,0.0,-0.160578583,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Tm,5.0,AB3C_cP5_221_b_c_a:B-Rh-Tm +mp-1208020,Tm2B6Rh,-6.9390093708,-0.6731949995000001,0.0,-0.0335126443,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Rh-Tm,36.0,A6BC2_oP36_55_6h_g_2g:B-Rh-Tm +mp-13343,TmB4Rh,-7.0549686388,-0.628683576,0.0,-0.0475260815,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Rh-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Rh-Tm +mp-1216756,Tm2(B2Rh3)3,-7.4129216624,-0.630169174,0.0014317379,0.0014317379,GGA,P6/mmm,A6B9C2_hP17_191_ch_gi_e:B-Rh-Tm,17.0,A6B9C2_hP17_191_ch_gi_e:B-Rh-Tm +mp-1212412,Ho6Al43V4,-4.5543061051,-0.3111016109,0.0,-0.0319707906,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-V +mp-7709,ZnF2,-4.2915144442,-2.5972805958,0.0057201492,-2.5972805958,GGA,Pbcn,A2B_oP12_60_d_c:F-Zn,12.0,A2B_oP12_60_d_c:F-Zn +mp-1873,ZnF2,-4.2972345933,-2.603000745,0.0,-2.603000745,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Zn,6.0,A2B_tP6_136_f_a:F-Zn +mp-5104,CaZnF4,-5.2280629475,-3.4095197208,0.0041211992,0.0041211992,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ca-F-Zn,12.0,AB4C_tI24_88_a_f_b:Ca-F-Zn +mp-1214075,CaZnF2,-4.4971972769,-2.7251219206,0.4430889006,0.4430889006,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ca-F-Zn,16.0,AB2C_tI32_141_c_h_d:Ca-F-Zn +mp-1214021,CaZnF2,-4.5027149494,-2.7306395931000003,0.4375712281,0.4375712281,GGA,Fd-3m,AB2C_cF64_227_c_e_d:Ca-F-Zn,16.0,AB2C_cF64_227_c_e_d:Ca-F-Zn +mp-3688,Er2Sn2O7,-7.7391508386,-3.0317506287,0.0,-0.0372716677,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Er-O-Sn +mp-1246525,Si2AuN3,-7.20208731,-0.6797535042,0.3310409042,0.3310409042,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Au-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Au-N-Si +mp-971657,Au3N,-3.8465540963,0.692981135,0.692981135,0.692981135,GGA,P-1,A3B_aP8_2_3i_ad:Au-N,8.0,"Invalid WP multiplicities - A3B_aP8_2_6i_ad:Au-N, expected Au6N to be Au3N" +mp-1008558,AuN,-4.264892255,1.5402962075,1.5402962075,1.5402962075,GGA,F-43m,AB_cF8_216_a_c:Au-N,2.0,AB_cF8_216_a_c:Au-N +mp-1008610,AuN,-4.29493107,1.5102573925,1.5102573925,1.5102573925,GGA,Fm-3m,AB_cF8_225_a_b:Au-N,2.0,AB_cF8_225_a_b:Au-N +mp-1018648,AuN2,-6.2182771317,0.4306801517,0.4306801517,0.4306801517,GGA,Pnnm,AB2_oP6_58_a_g:Au-N,6.0,AB2_oP6_58_a_g:Au-N +mp-1101868,AuN2,-6.0153091567,0.6336481267,0.6336481267,0.6336481267,GGA,Pa-3,AB2_cP12_205_a_c:Au-N,12.0,AB2_cP12_205_a_c:Au-N +mp-21031,Pd3PbC,-5.501883096,0.1943085025,0.4342545725,0.4342545725,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Pd,5.0,ABC3_cP5_221_b_a_c:C-Pb-Pd +mp-1197390,Lu3InS6,-6.037554123,-1.9242306739,0.0462443114,0.0462443114,GGA,P2_12_12,AB3C6_oP40_18_ab_3c_6c:In-Lu-S,40.0,AB3C6_oP40_18_ab_3c_6c:In-Lu-S +mp-1207153,Gd3GaC,-11.301830982,-0.404805335,0.001032059,0.001032059,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Gd,5.0,ABC3_cP5_221_b_a_c:C-Ga-Gd +mp-1096195,Sc2TlV,-3.455768875,2.5721029817,2.7110109731,2.7110109731,GGA,Immm,A2BC_oI8_71_e_a_b:Sc-Tl-V,4.0,A2BC_oI8_71_e_a_b:Sc-Tl-V +mp-981210,Tl3V,-3.5340071025,0.508951775,0.508951775,0.508951775,GGA,I4/mmm,A3B_tI8_139_ad_b:Tl-V,4.0,A3B_tI8_139_ad_b:Tl-V +mp-1187482,Tl3V,-3.5144921475,0.52846673,0.52846673,0.52846673,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-V,4.0,A3B_cP4_221_c_a:Tl-V +mp-1009648,PtC,-6.07916622,1.5707331862,1.5707331862,1.5707331862,GGA,P-6m2,AB_hP2_187_a_d:C-Pt,2.0,AB_hP2_187_a_d:C-Pt +mp-1018164,PtC,-6.73867374,0.9112256662,0.9112256662,0.9112256662,GGA,F-43m,AB_cF8_216_a_c:C-Pt,2.0,AB_cF8_216_a_c:C-Pt +mp-1002228,PtC,-5.64081022,2.0090891863,2.0090891863,2.0090891863,GGA,Pm-3m,AB_cP2_221_a_b:C-Pt,2.0,AB_cP2_221_a_b:C-Pt +mp-1018165,PtC,-6.167619205,1.4822802012,1.4822802012,1.4822802012,GGA,Fm-3m,AB_cF8_225_a_b:C-Pt,2.0,AB_cF8_225_a_b:C-Pt +mp-20796,InPt3C,-5.783079642,0.2556701945,0.5390159525,0.5390159525,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Pt,5.0,ABC3_cP5_221_b_a_c:C-In-Pt +mp-979426,YHoRu2,-7.7152639475,-0.3158426817,0.0274735269,0.0274735269,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Ho-Ru-Y +mp-1093857,Y2RuAu,-4.55888619,1.8114205017,2.4156384866,2.4156384866,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Au-Ru-Y +mp-1187757,Y2RuAu,-6.944801275,-0.5744945833,0.0297234016,0.0297234016,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Au-Ru-Y +mp-17500,GdPtF7,-6.6183767406000005,-2.8930869258,0.0,-0.1928149322,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Gd-Pt,36.0,A7BC_mP36_14_7e_e_e:F-Gd-Pt +mp-1097443,Nb2VRu,-5.6466893225,3.99354035,4.2155040033,4.2155040033,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ru-V,4.0,A2BC_oI8_71_e_a_b:Nb-Ru-V +mp-1097335,NbV2Ru,-5.628403725,3.757476205,4.0081285917,4.0081285917,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Ru-V,4.0,ABC2_oI8_71_a_b_e:Nb-Ru-V +mp-568156,Y4CdRu,-6.3359541025,-0.3254246436,0.0,-0.0027582054,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ru-Y,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e4f4g:Cd-Ru-Y, expected Y16CdRu to be Y4CdRu" +mp-1096522,Y2CdRu,-3.74994844,2.0326101917,2.3718600141,2.3718600141,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Ru-Y +mp-1192484,Y10Cd3Ru,-5.7518868089,-0.2727594551,0.0,-0.0316516355,GGA,P6_3/mmc,A3BC10_hP28_194_h_c_ahk:Cd-Ru-Y,28.0,A3BC10_hP28_194_h_c_ahk:Cd-Ru-Y +mp-979430,YLuTl2,-4.2437443,-0.3155673183,0.0,-0.0029322425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Lu-Tl-Y +mp-10634,CuF,-4.023690855,-1.0183480362,0.341356785,0.341356785,GGA,F-43m,AB_cF8_216_a_c:Cu-F,2.0,AB_cF8_216_a_c:Cu-F +mp-1183996,Cu3F,-3.7742380325,-0.2219632881,0.4578891225,0.4578891225,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cu-F,8.0,A3B_hP8_194_h_c:Cu-F +mp-1229,CuF2,-4.4536612967,-1.8129397617,0.0,-1.1340410708,GGA,P2_1/c,AB2_mP6_14_a_e:Cu-F,6.0,AB2_mP6_14_a_e:Cu-F +mp-1147672,CuF2,-4.34517444,-1.704452905,0.1084868567,-1.0255542142,GGA,P4/mmm,AB2_tP3_123_a_f:Cu-F,3.0,AB2_tP3_123_a_f:Cu-F +mp-1147670,CuF2,-4.3488898967,-1.7081683617,0.1047714,-1.0292696708,GGA,I4/mmm,AB2_tI6_139_a_c:Cu-F,3.0,AB2_tI6_139_a_c:Cu-F +mp-28488,CuPtF6,-4.4326222106,-1.7277204862,0.0,-0.06646236,GGA,P-1,AB6C_aP16_2_be_6i_i:Cu-F-Pt,16.0,AB6C_aP16_2_be_6i_i:Cu-F-Pt +mp-510441,YInPt2,-6.292069395,-0.9519640242,0.0,-0.0446777114,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:In-Pt-Y,8.0,AB2C_hP8_194_a_f_c:In-Pt-Y +mp-19740,YInPt,-6.0905447978,-0.99411541,0.0,-0.1185295511,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-Y,9.0,ABC_hP9_189_f_bc_g:In-Pt-Y +mp-1025427,Ta2GaC,-9.5093976525,-0.5163184588,0.0,-0.0655216825,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-Ta,8.0,ABC2_hP8_194_a_c_f:C-Ga-Ta +mp-1093828,Hf2VIr,-5.9531212275000005,3.50605835,4.0554561178,4.0554561178,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Ir-V,4.0,A2BC_oI8_71_e_a_b:Hf-Ir-V +mp-1097293,Hf2VRh,-5.74597107,3.34467693,3.8052135294,3.8052135294,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Rh-V,4.0,A2BC_oI8_71_e_a_b:Hf-Rh-V +mp-1026540,Mg14GaC,-2.0183843381,0.1479083003,0.1952499227,0.1952499227,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Ga-Mg, expected Mg18GaC to be Mg14GaC" +mp-1026421,Mg14GaC,-1.9155831212,0.2507095172,0.2980511396,0.2980511396,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Ga-Mg, expected Mg26GaC to be Mg14GaC" +mp-1185851,MgC,-4.17827637,1.2361964012,1.2361964012,1.2361964012,GGA,Pm-3m,AB_cP2_221_a_b:C-Mg,2.0,AB_cP2_221_a_b:C-Mg +mp-1016240,Mg3C,-2.82296881,0.6844076006,0.6844076006,0.6844076006,GGA,P4mm,AB3_tP4_99_a_bc:C-Mg,4.0,"Invalid WP multiplicities - AB3_tP4_99_a_b2c:C-Mg, expected Mg5C to be Mg3C" +mp-1185780,Mg3C,-2.9253501,0.5820263106,0.5820263106,0.5820263106,GGA,P6_3/mmc,AB3_hP8_194_c_h:C-Mg,8.0,AB3_hP8_194_c_h:C-Mg +mp-29771,MgC2,-6.2556392983,0.4302310467,0.4302310467,0.4302310467,GGA,P4_2/mnm,A2B_tP6_136_f_a:C-Mg,6.0,A2B_tP6_136_f_a:C-Mg +mp-28793,Mg2C3,-6.004924574,0.1723867415,0.1723867415,0.1723867415,GGA,Pnnm,A3B2_oP10_58_ag_g:C-Mg,10.0,A3B2_oP10_58_ag_g:C-Mg +mp-1023497,Mg15C,-1.7997990106,0.2772551295,0.2772551295,0.2772551295,GGA,P-6m2,AB15_hP16_187_a_bhjkn:C-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:C-Mg, expected Mg27C to be Mg15C" +mp-1016272,Mg7C,-2.00711849,0.5467097403,0.5467097403,0.5467097403,GGA,P-6m2,AB7_hP8_187_a_djk:C-Mg,8.0,AB7_hP8_187_a_djk:C-Mg +mp-1017252,Mg6GaC,-2.3222072281,0.4100979987,0.4781006415,0.4781006415,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:C-Ga-Mg, expected Mg12GaC to be Mg6GaC" +mp-1017277,Mg6GaC,-2.4491594075,0.2831458194,0.3511484622,0.3511484622,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Ga-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Ga-Mg +mp-562412,Ag3F8,-3.5203365705,-1.357654775,0.0071224696,0.0071224696,GGA,P2_1/c,A3B8_mP22_14_ae_4e:Ag-F,22.0,"Invalid WP multiplicities - A3B8_mP22_14_ae_13e:Ag-F, expected Ag3F26 to be Ag3F8" +mp-1183244,Ag3F,-3.0257667987,-0.4234800544,0.2189484296,0.2189484296,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-F,8.0,A3B_hP8_194_h_c:Ag-F +mp-1391,Ag2F,-3.3821016367,-0.8565713119,0.0,-0.0338770722,GGA,P-3m1,A2B_hP3_164_d_a:Ag-F,3.0,A2B_hP3_164_d_a:Ag-F +mp-1214922,AgPtF6,-4.157705875,-1.611135484,0.0,-0.0897010862,GGA,P-1,AB6C_aP16_2_be_6i_i:Ag-F-Pt,16.0,AB6C_aP16_2_be_6i_i:Ag-F-Pt +mp-542298,Ag2F5,-3.5668977846,-1.3922539498,0.0,-0.0169373796,GGA,P-1,A2B5_aP28_2_abcg2i_10i:Ag-F,28.0,A2B5_aP28_2_abcg2i_10i:Ag-F +mp-861945,Ag2F3,-3.60927414,-1.3293643582,0.028298077,0.028298077,GGA,R-3c,A2B3_hR30_167_c_e:Ag-F,10.0,A2B3_hR30_167_c_e:Ag-F +mp-7715,AgF2,-3.6585811317,-1.4400764856,0.0,-0.0740265323,GGA,P2_1/c,AB2_mP6_14_a_e:Ag-F,6.0,AB2_mP6_14_a_e:Ag-F +mp-2284,AgF2,-3.6492632133,-1.4307585672,0.0093179183,-0.064708614,GGA,Pbca,AB2_oP12_61_a_c:Ag-F,12.0,AB2_oP12_61_a_c:Ag-F +mp-18536,AgF3,-3.4584412371,-1.3166930106,0.0,-0.0721761335,GGA,P6_122,AB3_hP24_178_b_ac:Ag-F,24.0,"Invalid WP multiplicities - AB3_hP24_178_b_a2c:Ag-F, expected AgF5 to be AgF3" +mp-7592,AgF,-3.606058845,-1.2340413596,0.0,-0.0819743938,GGA,Fm-3m,AB_cF8_225_a_b:Ag-F,2.0,AB_cF8_225_a_b:Ag-F +mp-27552,TlPbI3,-3.019440088,-0.9203622347,0.0108972695,0.0108972695,GGA,Cmcm,A3BC_oC20_63_cf_a_c:I-Pb-Tl,10.0,A3BC_oC20_63_cf_a_c:I-Pb-Tl +mp-674339,Tl6PbI10,-2.7576882656,-0.8387371215,0.0132003401,0.0132003401,GGA,P31c,A10BC6_hP34_159_4b2c_a_2c:I-Pb-Tl,34.0,"Invalid WP multiplicities - A10BC6_hP34_159_8b6c_a_5c:I-Pb-Tl, expected Tl15PbI26 to be Tl6PbI10" +mp-1207336,PbI6,-1.7508084814,0.0424551143,0.4516741225,0.4516741225,GGA,Cmmm,A6B_oC14_65_kp_a:I-Pb,7.0,A6B_oC14_65_kp_a:I-Pb +mp-29212,Tl4PbI6,-2.8956096727,-0.8952989676,0.0166638425,0.0166638425,GGA,Pbam,A6BC4_oP22_55_2gh_a_2h:I-Pb-Tl,22.0,"Invalid WP multiplicities - A6BC4_oP22_55_2gh_a_3h:I-Pb-Tl, expected Tl6PbI6 to be Tl4PbI6" +mp-680205,PbI2,-3.1713911533,-0.9515978967,0.0032464558,-0.9515978967,GGA,P3m1,A2B_hP45_156_10a5b15c_5a10b:I-Pb,45.0,A2B_hP45_156_10a5b15c_5a10b:I-Pb +mp-567178,PbI2,-3.1726697222,-0.9528764656,0.0019678869,-0.9528764656,GGA,P3m1,A2B_hP9_156_2ab3c_a2b:I-Pb,9.0,A2B_hP9_156_2ab3c_a2b:I-Pb +mp-567199,PbI2,-3.1737263293,-0.9539330727,0.0009112798,-0.9539330727,GGA,P3m1,A2B_hP15_156_4ab5c_a4b:I-Pb,15.0,A2B_hP15_156_4ab5c_a4b:I-Pb +mp-567246,PbI2,-3.174046421,-0.9542531643,0.0005911882,-0.9542531643,GGA,P3m1,A2B_hP21_156_6ab7c_a6b:I-Pb,21.0,A2B_hP21_156_6ab7c_a6b:I-Pb +mp-580202,PbI2,-3.173492176,-0.9536989193,0.0011454332,-0.9536989193,GGA,P3m1,A2B_hP30_156_2a8b10c_8a2b:I-Pb,30.0,A2B_hP30_156_2a8b10c_8a2b:I-Pb +mp-1203179,PbI2,-3.1697058656,-0.9499126089,0.0049317436,-0.9499126089,GGA,P3m1,A2B_hP36_156_4a8b12c_8a4b:I-Pb,36.0,A2B_hP36_156_4a8b12c_8a4b:I-Pb +mp-22893,PbI2,-3.1736990667,-0.95390581,0.0009385425,-0.95390581,GGA,P-3m1,A2B_hP3_164_d_a:I-Pb,3.0,A2B_hP3_164_d_a:I-Pb +mp-672671,PbI2,-3.1669780011,-0.9471847444,0.0076596081,-0.9471847444,GGA,R-3m,A2B_hR27_166_3c_ac:I-Pb,9.0,"Invalid WP multiplicities - A2B_hR27_166_5c_ac:I-Pb, expected Pb3I10 to be PbI2" +mp-640058,PbI2,-3.1703811211,-0.9505878644,0.0042564881,-0.9505878644,GGA,R-3m,A2B_hR27_166_3c_ac:I-Pb,9.0,"Invalid WP multiplicities - A2B_hR27_166_3c_a2c:I-Pb, expected Pb5I6 to be PbI2" +mp-574189,PbI2,-3.1711403908,-0.9513471342,0.0034972183,-0.9513471342,GGA,R-3m,A2B_hR36_166_4c_abc:I-Pb,12.0,A2B_hR36_166_6c_ab2c:I-Pb +mp-22883,PbI2,-3.1745937833,-0.9548005267,4.38258e-05,-0.9548005267,GGA,R-3m,A2B_hR9_166_c_a:I-Pb,3.0,A2B_hR9_166_c_a:I-Pb +mp-569595,PbI2,-3.1722733233,-0.9524800667,0.0023642858,-0.9524800667,GGA,R-3m,A2B_hR18_166_2c_c:I-Pb,6.0,A2B_hR18_166_2c_c:I-Pb +mp-540789,PbI2,-3.1731138567,-0.9533206,0.0015237525,-0.9533206,GGA,R-3m,A2B_hR18_166_2c_ab:I-Pb,6.0,A2B_hR18_166_2c_ab:I-Pb +mp-567503,PbI2,-3.174443515,-0.9546502583,0.0001940942,-0.9546502583,GGA,P6_3mc,A2B_hP6_186_ab_b:I-Pb,6.0,"Invalid WP multiplicities - A2B_hP6_186_a2b_b:I-Pb, expected PbI3 to be PbI2" +mp-567542,PbI2,-3.1746376092,-0.9548443525,0.0,-0.9548443525,GGA,P6_3mc,A2B_hP12_186_2a2b_2b:I-Pb,12.0,A2B_hP12_186_4a4b_4b:I-Pb +mp-23380,Tl3PbI5,-2.9083030286,-0.8897021108000001,0.0258341611,0.0258341611,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:I-Pb-Tl,36.0,A5BC3_oP36_19_5a_a_3a:I-Pb-Tl +mp-756469,DyLuO3,-8.785891342,-3.9923306432,0.0753125326,0.0753125326,GGA,Pnma,ABC3_oP20_62_c_a_cd:Dy-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Dy-Lu-O, expected DyLuO7 to be DyLuO3" +mp-1246362,Ca3(SbN2)2,-5.8792650728,-0.5880670928,0.1640927703,0.1640927703,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Sb,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Sb +mp-1246528,Ca2SbN3,-6.1123875142,-0.587439885,0.1723682577,0.1723682577,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ca-N-Sb,24.0,A2B3C_mC48_15_2f_2e2f_f:Ca-N-Sb +mp-1013548,Ca3SbN,-4.89958617,-1.203127009,0.0,-0.2100291398,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-N-Sb,5.0,A3BC_cP5_221_c_b_a:Ca-N-Sb +mp-31157,Ca3SbN,-3.216343214,0.480115947,1.683242956,1.4732138162,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-N-Sb,5.0,A3BC_cP5_221_c_a_b:Ca-N-Sb +mp-631520,TlBTe2,-2.94214882,0.890012856,1.1698621656,1.1698621656,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Te-Tl,4.0,AB2C_cF16_216_a_bc_d:B-Te-Tl +mp-1186897,RbRhO3,-5.74644687,-1.1094652547,0.115868383,0.115868383,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Rh,5.0,A3BC_cP5_221_c_a_b:O-Rb-Rh +mp-979425,YHoAg2,-4.513355025,-0.3348570275,0.000338845,0.000338845,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ho-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Ho-Y +mp-1095847,BeCo2P,-3.5248297375,2.3175080029,2.7622512294,2.7622512294,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Co-P,4.0,AB2C_oI8_71_a_e_b:Be-Co-P +mp-20885,Fe4P,-7.447426874,0.4112505953,0.6950094335,0.6950094335,GGA,Pm-3m,A4B_cP5_221_ac_b:Fe-P,5.0,A4B_cP5_221_ac_b:Fe-P +mp-1191561,Tb2Fe12P7,-7.7960026524,-0.7101881635,0.0,-0.0148934558,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Tb,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Tb +mp-20027,FeP2,-6.9689656033,-0.5367568622000001,0.0,-0.0642473614,GGA,Pnnm,AB2_oP6_58_a_g:Fe-P,6.0,AB2_oP6_58_a_g:Fe-P +mp-27164,FeP4,-6.3957058337,-0.3710595863,0.0007191498,-0.049005469,GGA,P2_1/c,AB4_mP30_14_ae_6e:Fe-P,30.0,"Invalid WP multiplicities - AB4_mP30_14_ae_7e:Fe-P, expected Fe3P14 to be FeP4" +mp-570553,FeP4,-6.3964249835,-0.3717787362,0.0,-0.0497246188,GGA,C2/c,AB4_mC40_15_ce_4f:Fe-P,20.0,"Invalid WP multiplicities - AB4_mC40_15_ae_12f:Fe-P, expected FeP12 to be FeP4" +mp-568328,FeP4,-6.382056845,-0.3574105977,0.0143681385,-0.0353564803,GGA,C222_1,AB4_oC20_20_a_2c:Fe-P,10.0,"Invalid WP multiplicities - AB4_oC20_20_a_6c:Fe-P, expected FeP12 to be FeP4" +mp-21041,Tb(FeP3)4,-6.6788245188,-0.5921138706,0.0,-0.002015777,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-Tb,17.0,A4B12C_cI34_204_c_g_a:Fe-P-Tb +mp-1203752,TbFe5P3,-7.7597221594,-0.734791085,0.0,-0.0004454523,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Fe-P-Tb,36.0,A5B3C_oP36_62_5c_3c_c:Fe-P-Tb +mp-18708,Fe3P,-8.0605400819,-0.3546985477,0.0,-0.0109612148,GGA,I-4,A3B_tI32_82_3g_g:Fe-P,16.0,A3B_tI32_82_3g_g:Fe-P +mp-1005,FeP,-7.540084815,-0.5984229567,0.0,-0.1008863036,GGA,Pnma,AB_oP8_62_c_c:Fe-P,8.0,AB_oP8_62_c_c:Fe-P +mp-1189340,Fe2P,-7.9094314194,-0.4583164439,0.0,-0.0223764265,GGA,Imm2,A2B_oI36_44_ab2cde_abe:Fe-P,,A2B_oI36_44_ab2cde_abe:Fe-P +mp-778,Fe2P,-7.9089269711,-0.4578119956,0.0005044483,-0.0218719782,GGA,P-62m,A2B_hP9_189_fg_ad:Fe-P,9.0,A2B_hP9_189_fg_ad:Fe-P +mp-757852,Bi16O25,-6.1079892376,-1.5929881678000002,0.0493915072,0.0493915072,GGA,I-42m,A16B25_tI82_121_2ij_afg2ij:Bi-O,41.0,"Invalid WP multiplicities - A16B25_tI82_121_6i3j_a2f3g4i2j:Bi-O, expected Bi48O53 to be Bi16O25" +mp-1022722,Bi3O2,-5.281119936,-0.9981509735,0.110054802,0.110054802,GGA,I4/mmm,A3B2_tI10_139_ae_d:Bi-O,5.0,A3B2_tI10_139_ae_d:Bi-O +mp-1359489,BiO2,-5.8813205150000005,-1.3033649975,0.173762385,0.1523272339,GGA,P1,AB2_aP36_1_12a_24a:Bi-O,36.0,AB2_aP36_1_12a_24a:Bi-O +mp-1351349,BiO2,-5.9692279452,-1.3912724277,0.0858549548,0.0644198036,GGA,P1,AB2_aP48_1_16a_32a:Bi-O,48.0,AB2_aP48_1_16a_32a:Bi-O +mp-1044867,BiO2,-5.8977162739,-1.3197607564,0.1573666261,0.135931475,GGA,Cm,AB2_mC72_8_6a3b_12a6b:Bi-O,36.0,AB2_mC72_8_6a6b_12a12b:Bi-O +mp-1041395,BiO2,-5.8796472612,-1.3016917437,0.1754356387,0.1540004876,GGA,P2_1/m,AB2_mP24_11_ac2e_4e2f:Bi-O,24.0,AB2_oP24_59_ce_2eg:Bi-O +mp-755137,BiO2,-6.0305486483,-1.4525931308,0.0245342517,0.0030991005,GGA,C2/c,AB2_mC12_15_e_f:Bi-O,6.0,AB2_mC12_15_e_f:Bi-O +mp-557993,BiO2,-6.0550829,-1.4771273825,0.0,-0.0214351511,GGA,C2/c,AB2_mC24_15_ce_2f:Bi-O,12.0,"Invalid WP multiplicities - AB2_mC24_15_ae_3f:Bi-O, expected BiO3 to be BiO2" +mp-1343531,BiO2,-5.9759858725,-1.398030355,0.0790970275,0.0576618764,GGA,Pmc2_1,AB2_oP24_26_2a2b_4a4b:Bi-O,24.0,"Invalid WP multiplicities - AB2_oP24_26_4a4b_7a8b:Bi-O, expected Bi8O15 to be BiO2" +mp-1047386,BiO2,-5.8880422475,-1.31008673,0.1670406525,0.1456055014,GGA,Cmcm,AB2_oC24_63_f_acf:Bi-O,12.0,AB2_oC24_63_f_acf:Bi-O +mp-25333,BiO2,-5.6765500542,-1.0985945367,0.3785328458,0.3570976947,GGA,Ibam,AB2_oI24_72_j_2j:Bi-O,12.0,"Invalid WP multiplicities - AB2_oI24_72_j_5j:Bi-O, expected BiO5 to be BiO2" +mp-1194773,SiS2,-5.5329492406,-0.9668766526,0.0444288111,-0.4152863967,GGA,P2_1/c,A2B_mP36_14_6e_3e:S-Si,36.0,A2B_mP36_14_6e_3e:S-Si +mp-1602,SiS2,-5.5773780517,-1.0113054638,0.0,-0.4597152078,GGA,Ibam,A2B_oI12_72_j_a:S-Si,6.0,A2B_oI12_72_j_a:S-Si +mp-7583,SiS2,-5.5256593383,-0.9595867504,0.0517187133,-0.4079964944,GGA,I-42d,A2B_tI12_122_d_a:S-Si,6.0,A2B_tI12_122_d_a:S-Si +mp-1041498,AlMo3F15,-6.2006793529,-2.7820103701,0.1558462896,0.1558462896,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Mo,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Mo, expected AlMo6F54 to be AlMo3F15" +mp-1191253,DyCrB4,-7.49274068,-0.6631737811,0.0,-0.0978378617,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Dy,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Dy +mp-1425224,Zn(NiN)2,-5.57193692,0.326664444,0.4881095395,0.4881095395,GGA,P-4m2,A2B2C_tP5_115_g_e_b:N-Ni-Zn,5.0,A2B2C_tP5_115_g_e_b:N-Ni-Zn +mp-1245758,Zn5NiN4,-4.4041764,0.138307043,0.2387467436,0.2387467436,GGA,Pmmn,A4BC5_oP20_59_ef_a_bg:N-Ni-Zn,20.0,A4BC5_oP20_59_ef_a_bg:N-Ni-Zn +mp-1246248,ZnNi5N4,-6.1974840325,0.1531566385,0.2794990987,0.2794990987,GGA,Pmmn,A4B5C_oP20_59_ef_ag_b:N-Ni-Zn,20.0,A4B5C_oP20_59_ef_ag_b:N-Ni-Zn +mp-1069270,ZnNi3N,-5.608231692,-0.220901977,0.0,-0.0871308197,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Ni-Zn,5.0,AB3C_cP5_221_b_c_a:N-Ni-Zn +mp-1392436,Zn2NiN2,-4.928873676,0.065649074,0.195593907,0.195593907,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:N-Ni-Zn,10.0,A2BC2_mC20_12_2i_i_2i:N-Ni-Zn +mp-1095478,YAlPt,-6.578242425,-1.1505156706,0.0,-0.1637076983,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pt-Y,12.0,ABC_oP12_62_c_c_c:Al-Pt-Y +mp-1202337,U(Zn10Co)2,-2.3014787054,-0.0970040185,0.0,-0.0117756776,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Co-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Co-U-Zn +mp-1215717,Yb(AlC)3,-5.8536862186,-0.0733530404,0.0967035733,0.0967035733,GGA,P6_3mc,A3B3C_hP14_186_3b_3b_a:Al-C-Yb,,"Invalid WP multiplicities - A3B3C_hP14_186_5b_5b_a:Al-C-Yb, expected Yb(AlC)5 to be Yb(AlC)3" +mp-1207596,Yb(AlC)3,-5.8540871429,-0.0737539646,0.096302649,0.096302649,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Yb,,A3B3C_hP14_194_cf_df_a:Al-C-Yb +mp-1206360,Yb3AlC,-3.335858876,0.1827543565,0.3261426933,0.3261426933,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Yb,,ABC3_cP5_221_a_b_c:Al-C-Yb +mp-9277,Ce2CrN3,-9.19801704,-1.4432319475,0.0,-0.093395885,GGA,Immm,A2BC3_oI12_71_e_a_ce:Ce-Cr-N,6.0,A2BC3_oI12_71_e_a_ce:Ce-Cr-N +mp-1214072,Ce3Cr10N11,-9.5442845615,-0.9596517973,0.0,-0.0325843203,GGA,Fm-3m,A3B10C11_cF192_225_e_fg_abfh:Ce-Cr-N,48.0,A3B10C11_cF192_225_e_fg_abfh:Ce-Cr-N +mp-1104449,Pr(Mo3S4)2,-8.0453196687,-1.1822259787,0.0,-0.0085953863,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Pr-S,15.0,A6BC8_hR45_148_f_a_cf:Mo-Pr-S +mp-22556,Tm3TlC,-3.367118602,1.6366443798,1.9535037522,1.9535037522,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Tl-Tm,5.0,ABC3_cP5_221_a_b_c:C-Tl-Tm +mp-1216061,Yb2SnS5,-5.0277762091,-1.5563964904,0.0,-0.0108537891,GGA,P2_12_12,A5BC2_oP32_18_ab4c_c_2c:S-Sn-Yb,,A5BC2_oP32_18_ab4c_c_2c:S-Sn-Yb +mp-1207567,YbHfF7,-6.6320604072,-3.8679326203,0.0,-0.0568989057,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Yb,,A7BC_mP18_4_7a_a_a:F-Hf-Yb +mp-1227374,BaThF6,-6.8866822738,-4.2864688994,0.0870888837,0.0870888837,GGA,P-6m2,AB6C_hP8_187_c_abhi_f:Ba-F-Th,8.0,"Invalid WP multiplicities - AB6C_hP8_187_c_ab2hi_f:Ba-F-Th, expected BaThF8 to be BaThF6" +mp-1096296,LiVRu2,-4.619864875,2.7655436292,2.8828113754,2.8828113754,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Ru-V,4.0,AB2C_oI8_71_a_e_b:Li-Ru-V +mp-631387,SnRuW,-8.1508923267,0.5964758817,0.7142310978,0.7142310978,GGA,F-43m,ABC_cF12_216_a_b_c:Ru-Sn-W,3.0,ABC_cF12_216_a_b_c:Ru-Sn-W +mp-1186681,PmYIr2,-7.9239911525,-0.7005207035000001,0.0,-0.0893431194,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Pm-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Pm-Y +mp-973919,NpOsO3,-9.445837192,-1.642794543,0.973443296,0.973443296,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Os,5.0,AB3C_cP5_221_a_c_b:Np-O-Os +mp-1205876,CsSmI3,-3.568075503,-1.5612579916,0.05909128,0.05909128,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Cs-I-Sm,10.0,AB3C_oC20_63_c_cf_a:Cs-I-Sm +mp-1213362,CsSm2I5,-3.6780075897,-1.4655817907,0.1196656016,0.1196656016,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cs-I-Sm,32.0,AB5C2_mP32_14_e_5e_2e:Cs-I-Sm +mp-979434,DyYTl2,-4.3068311575,-0.3571950958,0.0,-0.007027645,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Dy-Tl-Y +mp-1206451,Nd2Co2I,-5.702733507,-0.6574741460000001,0.0,-0.1338764097,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Co-I-Nd,10.0,A2BC2_hP10_194_f_c_e:Co-I-Nd +mp-1097458,YCuAu2,-2.974742805,1.3036176408,1.94974761,1.94974761,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Y,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Y +mp-1095791,Y2CuAu,-3.1538179775,1.9226897467,2.494809205,2.494809205,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cu-Y,4.0,ABC2_oI8_71_a_b_e:Au-Cu-Y +mp-1187723,Y2CuAu,-5.6230822225,-0.5465744983,0.02554496,0.02554496,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cu-Y,4.0,ABC2_cF16_225_a_b_c:Au-Cu-Y +mp-972209,Ta2TcW,-12.0425889925,-0.2840078838,0.0,-0.0013980125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ta-Tc-W,4.0,A2BC_cF16_225_c_a_b:Ta-Tc-W +mp-1247730,ScRu2W,-5.911752675,3.5480984288,3.8427998408,3.8427998408,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sc-W,4.0,A2BC_oI8_71_e_a_b:Ru-Sc-W +mp-1209821,NpGeO2,-8.78263485,-1.9165886103,0.7849506712000001,0.7849506712000001,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ge-Np-O,16.0,ABC2_tI32_141_c_d_h:Ge-Np-O +mp-1190589,Tm2Mn12P7,-8.1837470405,-0.7176055215,0.0,-0.0452063344,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Tm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Tm +mp-11021,GaAuO2,-5.5558364475,-1.5069975862,0.0071476027,0.0071476027,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-Ga-O,8.0,ABC2_hP8_194_c_a_f:Au-Ga-O +mp-1103150,MoPRh,-8.4653673475,-0.5909471853,0.007119985,0.007119985,GGA,Pnma,ABC_oP12_62_c_c_c:Mo-P-Rh,12.0,ABC_oP12_62_c_c_c:Mo-P-Rh +mp-1016841,HfHgO3,-7.389007276,-2.3688201702,0.299051158,0.299051158,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Hf-Hg-O,5.0,ABC3_cP5_221_b_a_c:Hf-Hg-O +mp-1226022,Eu(GaP)2,-6.106916049,-0.6789562773000001,0.0,-0.0127772256,GGA,P2/m,AB2C2_mP20_10_cdn_2m2n_2m2n:Eu-Ga-P,20.0,AB2C2_mP20_10_adn_2m2n_2m2n:Eu-Ga-P +mp-1194348,Eu3GaP3,-8.1835288671,-1.0350990182,0.0,-0.0923913693,GGA,Cmce,A3BC3_oC56_64_fg_d_fg:Eu-Ga-P,28.0,A3BC3_oC56_64_fg_d_fg:Eu-Ga-P +mp-1189104,Eu3(GaP2)2,-7.3965122761,-0.8986892237,0.0,-0.002535265,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Eu-Ga-P,18.0,A3B2C4_mC36_15_ef_f_2f:Eu-Ga-P +mp-1245420,Ca5(AuN2)2,-5.3556542645,-0.8173139827,0.0374289227,0.0374289227,GGA,P4/ncc,A2B5C4_tP44_130_f_cg_g:Au-Ca-N,44.0,A2B5C4_tP44_130_f_cg_g:Au-Ca-N +mp-9040,Ca3AuN,-4.354907296,-0.829471983,0.02031966,0.02031966,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Au-Ca-N,5.0,AB3C_cP5_221_a_c_b:Au-Ca-N +mp-29175,Ca2AuN,-4.8022258013,-0.89683163,0.0,-0.0446474905,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Au-Ca-N,8.0,AB2C_oC16_63_c_2c_c:Au-Ca-N +mp-1193097,Zr4Fe2N,-9.1619087868,-0.6665745204,0.0268138958,0.0268138958,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Fe-N-Zr,28.0,A2BC4_cF112_227_e_c_df:Fe-N-Zr +mp-1246166,Zr(FeN)2,-9.090675116,-0.658528536,0.2117480335,0.2117480335,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Fe-N-Zr,5.0,A2B2C_hP5_164_d_d_a:Fe-N-Zr +mp-1245884,Zr(FeN)4,-8.7609874978,-0.3416802567,0.2816453208,0.2816453208,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Fe-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Fe-N-Zr +mp-1246849,ZrFeN2,-9.3229404563,-0.9002625338,0.1871299937,0.1871299937,GGA,Pnma,AB2C_oP16_62_c_2c_c:Fe-N-Zr,16.0,AB2C_oP16_62_c_2c_c:Fe-N-Zr +mp-1103310,NbPRu,-9.1013255258,-0.8383221636,0.0,-0.1784896442,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-P-Ru,12.0,ABC_oP12_62_c_c_c:Nb-P-Ru +mp-1103012,Ta4CoP,-10.4537628275,-0.4616410239,0.033677421,0.033677421,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Co-P-Ta,12.0,ABC4_tP12_124_a_c_m:Co-P-Ta +mp-1095553,TaCoP,-8.9509178933,-0.8244519161,0.0,-0.1554818513,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-Ta,12.0,ABC_oP12_62_c_c_c:Co-P-Ta +mp-631580,BPd2Br,-3.8058708975,0.8421750327,1.3443384021,1.3443384021,GGA,F-43m,ABC2_cF16_216_a_c_bd:B-Br-Pd,4.0,ABC2_cF16_216_a_c_bd:B-Br-Pd +mp-10900,U2Al3Os,-7.7613745042,-0.2535553475,0.0774259265,0.0774259265,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Os-U,12.0,A3BC2_hP12_194_h_a_f:Al-Os-U +mp-1193187,TaCoB,-9.1658489167,-0.6173531847,0.0,-0.0521713728,GGA,Pmmn,ABC_oP30_59_a2e_b2e_a2e:B-Co-Ta,30.0,ABC_oP30_59_a2e_b2e_a2e:B-Co-Ta +mp-1189575,Ta3Co5B2,-8.834871052,-0.3875005113,0.0783940323,0.0783940323,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Co-Ta,20.0,A2B5C3_tP20_127_g_cj_ag:B-Co-Ta +mp-1193985,Ta2(Co7B2)3,-7.6287811376,-0.2816577038,0.0,-0.0040367188,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Ta,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Ta +mp-1189690,TaCoB2,-8.7135506512,-0.6323309096,0.0,-0.024854995,GGA,Pnma,A2BC_oP16_62_2c_c_c:B-Co-Ta,16.0,A2BC_oP16_62_2c_c_c:B-Co-Ta +mp-1217955,Ta11(Co52B15)2,-7.6686237167,-0.2887453875,0.0,-0.0013966938,GGA,I4/m,A30B104C11_tI290_87_e5hi_6h10i_adi:B-Co-Ta,145.0,"Invalid WP multiplicities - A30B104C11_tI290_87_2e20h4i_21h77i_a2d2i:B-Co-Ta, expected Ta21(Co175B29)4 to be Ta11(Co52B15)2" +mp-1226217,CrCoB,-8.0845281317,-0.2709424531,0.0820347842,0.0820347842,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Co-Cr,6.0,ABC_oF24_69_f_g_h:B-Co-Cr +mp-542727,Cr2(Co7B2)3,-7.3648564969,-0.169783419,0.0141643279,0.0141643279,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Cr,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Cr +mp-631543,AlInB,-3.33757337,1.0546437403,1.0812061573,1.0812061573,GGA,F-43m,ABC_cF12_216_c_a_b:Al-B-In,3.0,ABC_cF12_216_c_a_b:Al-B-In +mp-1192963,Ce6Mg23P,-2.7190668993,-0.1251242798,0.0,-0.0047428157,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-P,30.0,A6B23C_cF120_225_e_ad2f_b:Ce-Mg-P +mp-27255,Ga2TeS2,-4.348001924,-0.8535223896,0.0,-0.018933741,GGA,I4_1md,A2B2C_tI20_109_b_b_a:Ga-S-Te,10.0,A2B2C_tI20_109_b_b_a:Ga-S-Te +mp-1214874,Ce4In5S13,-5.62664097,-1.4782489909,0.027139735,0.027139735,GGA,Pbam,A4B5C13_oP44_55_2g_a2h_c2g4h:Ce-In-S,44.0,A4B5C13_oP44_55_2g_a2h_c2g4h:Ce-In-S +mp-631318,KSiTc2,-5.79232628,1.0219224368,1.2661169099,1.2661169099,GGA,F-43m,ABC2_cF16_216_a_c_bd:K-Si-Tc,4.0,ABC2_cF16_216_a_c_bd:K-Si-Tc +mp-1213004,Er3RuI3,-5.0932770879,-1.1793259421,0.0,-0.0615018177,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:Er-I-Ru,14.0,A3B3C_mP14_11_3e_3e_e:Er-I-Ru +mp-981365,V2ReRu,-10.2696634625,-0.2979779962,0.0,-0.0489464775,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Ru-V,4.0,ABC2_cF16_225_a_b_c:Re-Ru-V +mp-1196310,BeGaH5,-3.4409287825,-0.0507660521,0.0205903505,0.0205903505,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Be-Ga-H,56.0,ABC5_mP56_14_2e_2e_10e:Be-Ga-H +mp-1183988,GaH,-2.85375206,0.3566589737,0.3566589737,0.3566589737,GGA,P6_3mc,AB_hP4_186_b_b:Ga-H,4.0,AB_hP4_186_b_b:Ga-H +mp-1183993,GaH3,-2.7000846075,0.6014839319,0.6014839319,0.6014839319,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-H,4.0,AB3_tI8_139_a_bd:Ga-H +mp-1183400,BeH,-3.1558439575,0.4102254975,0.5350992021000001,0.5350992021000001,GGA,P6_3mc,AB_hP4_186_b_b:Be-H,4.0,AB_hP4_186_b_b:Be-H +mp-768203,BeH2,-3.6747865911,-0.1664982728,0.0,-0.1664982728,GGA,Ibam,AB2_oI36_72_aj_jk:Be-H,18.0,"Invalid WP multiplicities - AB2_oI36_72_aj_j2k:Be-H, expected Be3H10 to be BeH2" +mp-1186661,PuCl,-9.44698889,-1.388801395,0.2374814413,0.2374814413,GGA,P-6m2,AB_hP2_187_a_d:Cl-Pu,2.0,AB_hP2_187_a_d:Cl-Pu +mp-867358,PuCl2,-8.1566809983,-2.168377115,0.0,-0.0439492183,GGA,P4_2/mnm,A2B_tP6_136_f_a:Cl-Pu,6.0,A2B_tP6_136_f_a:Cl-Pu +mp-505397,K2PuCl6,-5.32132989,-2.2569014251,0.0,-0.1465937289,GGA,C2/m,A6B2C_mC18_12_ij_i_a:Cl-K-Pu,9.0,A6B2C_mC18_12_ij_i_a:Cl-K-Pu +mp-29334,K2PuCl5,-5.5905110988,-2.3740961583,0.0,-0.0499883456,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Pu,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_12c6d_d_c:Cl-K-Pu, expected K2PuCl24 to be K2PuCl5" +mp-22918,PuCl3,-7.3433434612,-2.3899813838,0.0,-0.7636985475,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Pu,8.0,A3B_hP8_176_h_c:Cl-Pu +mp-1182556,KPu,-7.0599345375,0.629184101,0.629184101,0.629184101,GGA,P-1,AB_aP12_2_3i_3i:K-Pu,12.0,AB_aP12_2_6i_6i:K-Pu +mp-1237171,KPu,-6.8354175767,0.8537010618,0.8537010618,0.8537010618,GGA,R-3,AB_hR36_148_f_f:K-Pu,12.0,AB_hR36_148_f_f:K-Pu +mp-978912,TbYIr2,-7.9950632425,-0.8006368492,0.0105495998,0.0105495998,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Tb-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Tb-Y +mp-1208131,TlPbF7,-4.32376992,-2.1620318101,0.0,-0.0068844297,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Pb-Tl,36.0,A7BC_mP36_14_7e_e_e:F-Pb-Tl +mp-2647018,PmTiO3,-8.958279804,-3.4610597094,0.1094739327,0.1094739327,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pm-Ti,5.0,A3BC_cP5_221_c_a_b:O-Pm-Ti +mp-1186532,Pm3Ti,-5.2967338225,0.2400459235,0.2400459235,0.2400459235,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Ti,4.0,A3B_cP4_221_c_a:Pm-Ti +mp-973675,Hf9AsW4,-10.693380975,-0.2572137896,0.0005192273,0.0005192273,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:As-Hf-W,28.0,AB9C4_hP28_194_c_hk_ah:As-Hf-W +mp-7922,CaPdF6,-4.949361515,-2.6175670781,0.0,-0.0966389263,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Pd,8.0,AB6C_hR24_148_a_f_b:Ca-F-Pd +mp-1227095,CaPdF4,-5.2410159975,-2.7691164042,0.06727547,0.0440081047,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Ca-F-Pd,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_d:Ca-F-Pd, expected CaPdF8 to be CaPdF4" +mp-8161,CaPdF4,-5.3082914675,-2.8363918742000003,0.0,-0.0232673653,GGA,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-Pd,12.0,AB4C_tI24_140_a_l_d:Ca-F-Pd +mp-20803,USbAs,-7.263483935,-0.5703073833,0.0,-0.0276445629,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Sb-U,6.0,ABC_tP6_129_c_a_c:As-Sb-U +mp-1096588,NaYAu2,-2.6754734950000003,0.9087166067,1.5593634913,1.5593634913,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Na-Y,4.0,A2BC_oI8_71_e_a_b:Au-Na-Y +mp-1215942,YScFe4,-7.929828309999999,-0.1499908003,0.0181996025,0.0181996025,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Sc-Y,6.0,A4BC_cF24_216_e_a_c:Fe-Sc-Y +mp-1097327,YSbRh2,-4.4727238,1.8582982233,2.6306638929,2.6306638929,GGA,Immm,A2BC_oI8_71_e_a_b:Rh-Sb-Y,4.0,A2BC_oI8_71_e_a_b:Rh-Sb-Y +mp-1065514,YTlTe2,-5.0583782475,-1.2794467358,0.0,-0.0603986024,GGA,R-3m,A2BC_hR12_166_c_a_b:Te-Tl-Y,4.0,A2BC_hR12_166_c_a_b:Te-Tl-Y +mp-18706,Y5(FeTe)2,-6.9217526678,-0.7485293596,0.0,-0.0420732691,GGA,Cmcm,A2B2C5_oC36_63_2c_f_c2f:Fe-Te-Y,18.0,A2B2C5_oC36_63_2c_f_c2f:Fe-Te-Y +mp-1096741,Y2GaAg,-2.6572681525,2.0411304106,2.5400423738,2.5400423738,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Ga-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Ga-Y +mp-1187711,Y2GaAg,-5.1881803875,-0.4897818244,0.0091301387,0.0091301387,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ga-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Ga-Y +mp-1097584,YGaAg2,-2.1830903425,1.6068294431,2.0005396785,2.0005396785,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ga-Y,4.0,A2BC_oI8_71_e_a_b:Ag-Ga-Y +mp-1104155,Y3Ga8Ag3,-4.1891523407,-0.4661630886,0.0,-0.0166443607,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Y,14.0,A3B8C3_oI28_71_bf_2n_ag:Ag-Ga-Y +mp-1216072,Y2Ga3Ag,-4.728073075,-0.5864420254,0.0,-0.0042796258,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Ag-Ga-Y,6.0,AB3C2_hP6_156_a_a2b_2c:Ag-Ga-Y +mp-1215988,YGaAg,-4.6095990017,-0.5005579553,0.0018272028,0.0018272028,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ga-Y,6.0,ABC_mC12_12_i_i_i:Ag-Ga-Y +mp-1025386,HgPPt5,-5.3475095814,-0.1942739426,0.0110553479,0.0110553479,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Hg-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Hg-P-Pt +mp-1220587,Nb3V3Ge2,-8.611177675,-0.260966545,0.0665385108,0.0665385108,GGA,R32,A2B3C3_hR24_155_c_d_e:Ge-Nb-V,8.0,A2B3C3_hR24_155_c_d_e:Ge-Nb-V +mp-1019099,SmCoP,-6.7010225567,-0.9542870778,0.089873975,0.089873975,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-P-Sm,6.0,ABC_tP6_129_a_c_c:Co-P-Sm +mp-573563,Sm(CoP)2,-6.954613538,-1.0022481903,0.0,-0.0226187502,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-P-Sm,5.0,A2B2C_tI10_139_d_e_a:Co-P-Sm +mp-1005690,Sm2Co12P7,-7.0872762295,-0.7715570221,0.0,-0.005151812,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Sm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Sm +mp-1199867,SmCo3P2,-7.0366172631,-0.8915931742000001,0.0,-0.025365166,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Sm,36.0,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Sm +mp-1201674,SmCo5P3,-7.0847039522,-0.8069169933,0.0,-0.0086852708,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Sm,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Sm +mp-11740,KNdTe2,-4.6652947375,-1.6240051960000002,0.0,-0.1139573478,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Nd-Te,4.0,ABC2_hR12_166_a_b_c:K-Nd-Te +mp-11010,KNdTe4,-4.3113828817,-1.2360878895,0.004129609,0.004129609,GGA,P4/nbm,ABC4_tP12_125_a_b_m:K-Nd-Te,12.0,ABC4_tP12_125_a_b_m:K-Nd-Te +mp-982195,KNd3,-3.4063108,0.4473995111,0.4473995111,0.4473995111,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Nd,4.0,AB3_tI8_139_a_bd:K-Nd +mp-1184903,K3Nd,-1.4789656,0.5458704684,0.5458704684,0.5458704684,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Nd,4.0,A3B_tI8_139_ad_b:K-Nd +mp-975838,K3Nd,-1.4835795775,0.5412564909,0.5412564909,0.5412564909,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Nd,8.0,A3B_hP8_194_h_c:K-Nd +mp-1185036,KNd,-2.50045062,0.4388225698,0.4388225698,0.4388225698,GGA,P-6m2,AB_hP2_187_a_d:K-Nd,2.0,AB_hP2_187_a_d:K-Nd +mp-669359,KNd3Te8,-4.8053432133000005,-1.4252358474,0.0,-0.0055075942,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:K-Nd-Te,48.0,"Invalid WP multiplicities - AB3C8_mP48_14_e_10e_30e:K-Nd-Te, expected K(NdTe3)10 to be KNd3Te8" +mp-7032,HfMoP,-9.7069875178,-0.9682736356,0.0,-0.1058641728,GGA,P-62m,ABC_hP9_189_f_g_ad:Hf-Mo-P,9.0,ABC_hP9_189_f_g_ad:Hf-Mo-P +mp-1192670,Hf9Mo4P,-10.1923942611,-0.3059225313,0.0,-0.0059281002,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Mo-P,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Mo-P +mp-1215725,Zr(V3Ge2)3,-7.6876878,-0.3101239006,0.1230256979,0.1230256979,GGA,I-42m,A6B9C_tI32_121_ci_aj_b:Ge-V-Zr,16.0,A6B9C_tI32_121_ci_aj_b:Ge-V-Zr +mp-1215415,Zr3V9Ge10,-7.4696452427,-0.4865300123,0.0133269426,0.0133269426,GGA,Cm,A10B9C3_mC44_8_8ab_5a2b_3a:Ge-V-Zr,22.0,"Invalid WP multiplicities - A10B9C3_mC44_8_8ab_5a3b_3a:Ge-V-Zr, expected Zr3V11Ge10 to be Zr3V9Ge10" +mp-1202025,Zr2V3Ge4,-7.5956208086,-0.6134840431,0.0,-0.0506790734,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-V-Zr,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-V-Zr +mp-10311,ZrVGe,-8.0809353317,-0.6627238133000001,0.0,-0.0598465206,GGA,I4/mmm,ABC_tI12_139_e_c_e:Ge-V-Zr,6.0,ABC_tI12_139_e_c_e:Ge-V-Zr +mp-631570,BaTaB,-5.3080580733,1.5106567069,2.0525728233,2.0525728233,GGA,F-43m,ABC_cF12_216_c_a_b:B-Ba-Ta,3.0,ABC_cF12_216_c_a_b:B-Ba-Ta +mp-1199943,Tb(BRu)4,-8.1001615564,-0.4946567405,0.0,-0.0616196437,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Tb,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Tb +mp-867230,TbB4Ru,-7.3972879208,-0.6262319669,0.0,-0.0566850183,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ru-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Ru-Tb +mp-3186,TbB2Ru3,-8.1039408717,-0.4678813281,0.0,-0.0202630271,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Tb,6.0,A2B3C_hP6_191_c_g_a:B-Ru-Tb +mp-1188601,TbB2Ru,-7.40504362,-0.5881555746,0.0,-0.022442064,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ru-Tb,16.0,A2BC_oP16_62_d_c_c:B-Ru-Tb +mp-1200192,Tb2B6Ru,-7.1653931717,-0.65211702,0.0,-0.0577115161,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Ru-Tb,36.0,A6BC2_oP36_55_6h_g_2g:B-Ru-Tb +mp-975729,Pr(BRu)2,-7.835725159,-0.4980262837,0.0,-0.0909314016,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Pr-Ru,10.0,A2BC2_oF40_70_e_a_f:B-Pr-Ru +mp-1200756,Pr(BRu)4,-8.0578009839,-0.4360139841,0.0,-0.0364888241,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Pr-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Pr-Ru +mp-5939,PrB2Ru3,-8.048477805,-0.3879949856,0.0270269175,0.0270269175,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Pr-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Pr-Ru +mp-1191455,Ho3MnB7,-6.9608780523,-0.6276976616000001,0.0,-0.0211331555,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Ho-Mn,22.0,A7B3C_oC44_63_c3f_cf_c:B-Ho-Mn +mp-978098,HoMnB4,-7.4113018208,-0.6676366133,0.0,-0.0903476668,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Mn,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Mn +mp-1224470,Hf3TiV8,-9.1550355083,0.0481567972,0.0481567972,0.0481567972,GGA,R3m,A3BC8_hR36_160_3a_a_2a2b:Hf-Ti-V,12.0,"Invalid WP multiplicities - A3BC8_hR36_160_3a_a_2a6b:Hf-Ti-V, expected Hf3TiV20 to be Hf3TiV8" +mp-2932,Y2Si4Mo3,-8.1058116794,-0.6423489376,0.0,-0.0657285745,GGA,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Mo-Si-Y,18.0,"Invalid WP multiplicities - A3B4C2_mP18_14_ae_5e_e:Mo-Si-Y, expected Y2Si10Mo3 to be Y2Si4Mo3" +mp-1224056,Ho3Sc2S7,-6.9234791183,-2.3095362943,0.0,-0.0134379157,GGA,Cm,A3B7C2_mC24_8_3a_7a_2a:Ho-S-Sc,12.0,A3B7C2_mC24_8_3a_7a_2a:Ho-S-Sc +mp-1196117,Sn3Ir2S3,-5.6083630209,-0.3439963302,0.2169109953,0.2169109953,GGA,Pm-3,A2B3C3_cP32_200_i_j_k:Ir-S-Sn,32.0,A2B3C3_cP32_200_i_j_k:Ir-S-Sn +mp-558760,SrZrS3,-6.6073160515,-2.0780073147,0.0009402365,-0.0106165495,GGA,Pnma,A3BC_oP20_62_3c_c_c:S-Sr-Zr,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:S-Sr-Zr, expected SrZrS9 to be SrZrS3" +mp-5193,SrZrS3,-6.608256288,-2.0789475512,0.0,-0.011556786,GGA,Pnma,A3BC_oP20_62_cd_c_a:S-Sr-Zr,20.0,A3BC_oP20_62_cd_c_a:S-Sr-Zr +mp-22004,Yb3TlC,-2.035784764,1.2062419318,1.4613461491,1.4613461491,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Tl-Yb,,ABC3_cP5_221_a_b_c:C-Tl-Yb +mp-28755,GdCBr,-9.5842534017,-1.2983147142,0.0,-0.0712036748,GGA,C2/m,ABC_mC12_12_i_i_i:Br-C-Gd,6.0,ABC_mC12_12_i_i_i:Br-C-Gd +mp-567572,GdCBr,-9.5838087567,-1.2978700692,0.000444645,-0.0707590298,GGA,C2/m,ABC_mC12_12_i_i_i:Br-C-Gd,6.0,ABC_mC12_12_i_i_i:Br-C-Gd +mp-28522,Gd2CBr,-10.8436693012,-1.1101847256,0.0,-0.1276264381,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Br-C-Gd,8.0,ABC2_hP8_194_c_a_f:Br-C-Gd +mp-1188006,VIn3,-4.0541820125,0.2805573025,0.2805573025,0.2805573025,GGA,P6_3/mmc,A3B_hP8_194_h_c:In-V,8.0,A3B_hP8_194_h_c:In-V +mp-1206609,Mn2VIn,-7.4496959975,0.0902090985,0.2322501255,0.2322501255,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Mn-V,4.0,AB2C_cF16_225_a_c_b:In-Mn-V +mp-11549,VPd2,-6.7612768067,-0.2800535767,0.0,-0.048402424,GGA,Immm,A2B_oI6_71_e_a:Pd-V,3.0,A2B_oI6_71_e_a:Pd-V +mp-1664,V3Pd,-8.2406476713,-0.1327476663,0.0,-0.027727575,GGA,Pm-3n,AB3_cP8_223_a_c:Pd-V,8.0,AB3_cP8_223_a_c:Pd-V +mp-961664,VSnPd,-6.15698234,-0.0658624283,0.2886810008,0.2886810008,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sn-V,3.0,ABC_cF12_216_c_a_b:Pd-Sn-V +mp-873,VPd3,-6.4014548675,-0.2455669925,0.0058648575,-0.03552681,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-V,4.0,A3B_tI8_139_ad_b:Pd-V +mp-1216290,VPd3,-6.31291395,-0.157026075,0.094405775,0.0530141075,GGA,R-3m,A3B_hR12_166_ac_b:Pd-V,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Pd-V, expected VPd5 to be VPd3" +mp-979980,VPd3,-6.407319725,-0.25143185,0.0,-0.0413916675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pd-V,8.0,A3B_hP8_194_h_c:Pd-V +mp-568711,VPd3,-6.3904469,-0.234559025,0.016872825,-0.0245188425,GGA,Pm-3m,A3B_cP4_221_c_a:Pd-V,4.0,A3B_cP4_221_c_a:Pd-V +mp-1216296,VPd4,-6.106231818,-0.145545156,0.055600324,0.055600324,GGA,R-3m,A4B_hR15_166_2c_a:Pd-V,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Pd-V, expected VPd6 to be VPd4" +mp-1185498,LuNpO3,-9.570101218,-3.108341951,0.5750024782000001,0.5750024782000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Lu-Np-O,5.0,ABC3_cP5_221_b_a_c:Lu-Np-O +mp-1096534,YZrPd2,-4.2802712775,2.0632125633,2.844395985,2.844395985,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Y-Zr,4.0,A2BC_oI8_71_e_a_b:Pd-Y-Zr +mp-1212789,EuZrF7,-7.5170332733,-3.9409160286,0.0,-0.0166091141,GGA,P2_1,AB7C_mP18_4_a_7a_a:Eu-F-Zr,18.0,AB7C_mP18_4_a_7a_a:Eu-F-Zr +mp-1212698,EuZrF6,-7.8656151381,-4.0814181087,0.0,-0.0484005591,GGA,Cmme,AB6C_oC32_67_g_mo_a:Eu-F-Zr,16.0,AB6C_oC32_67_g_mo_a:Eu-F-Zr +mp-532491,EuZr3F15,-7.3699743826,-3.9714328983,0.0018933061,0.0018933061,GGA,P-1,AB15C3_aP76_2_2i_30i_6i:Eu-F-Zr,76.0,"Invalid WP multiplicities - AB15C3_aP76_2_3i_59i_11i:Eu-F-Zr, expected Eu3Zr11F59 to be EuZr3F15" +mp-676002,Ba2PrF7,-6.418441114,-4.2185202732,0.0446435625,0.0446435625,GGA,P1,A2B7C_aP10_1_2a_7a_a:Ba-F-Pr,10.0,A2B7C_aP10_1_2a_7a_a:Ba-F-Pr +mp-675426,Ba3PrF9,-6.3203215308,-4.186387586,0.0538886219,0.0538886219,GGA,P1,A3B9C_aP13_1_3a_9a_a:Ba-F-Pr,13.0,A3B9C_aP13_1_3a_9a_a:Ba-F-Pr +mp-1095926,LaYAu2,-3.0490651975,1.4384953571,2.2935384538,2.2935384538,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Y,4.0,A2BC_oI8_71_e_a_b:Au-La-Y +mp-865519,YTaRu2,-9.55442475,-0.3361612942,0.0,-0.0150157509,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Ta-Y,4.0,A2BC_cF16_225_c_a_b:Ru-Ta-Y +mp-1215071,Ba3RhF12,-5.0515871444,-2.7979008756,0.2481475563,0.2481475563,GGA,C2/m,A3B12C_mC32_12_ce_3j_a:Ba-F-Rh,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_d:Ba-F-Rh, expected Ba3RhF40 to be Ba3RhF12" +mp-7660,BaRhF6,-5.3833176625,-2.7892980856,0.0,-0.1380895642,GGA,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Rh,8.0,AB6C_hR24_166_a_h_b:Ba-F-Rh +mp-752596,YbSmO3,-7.470651125,-3.2509990153,0.1324985642,0.1324985642,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:O-Sm-Yb,,"Invalid WP multiplicities - A3BC_oP20_33_9a_a_a:O-Sm-Yb, expected YbSmO9 to be YbSmO3" +mp-9540,SmMgF4,-5.8931963733,-3.5657326975,0.3575616854,0.3575616854,GGA,Cmcm,A4BC_oC24_63_acf_c_c:F-Mg-Sm,12.0,"Invalid WP multiplicities - A4BC_oC24_63_ac2f_c_c:F-Mg-Sm, expected SmMgF6 to be SmMgF4" +mp-1097238,LiYPb2,-2.46666145,1.48351058,1.8754453079,1.8754453079,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pb-Y,4.0,AB2C_oI8_71_a_e_b:Li-Pb-Y +mp-1095746,LiY2Pb,-2.70810938,1.9305186608,2.3227378115,2.3227378115,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Li-Pb-Y +mp-1212860,DyZrF7,-7.1833405267,-4.2350249442,0.0,-0.0256467089,GGA,P2_1,AB7C_mP18_4_a_7a_a:Dy-F-Zr,18.0,AB7C_mP18_4_a_7a_a:Dy-F-Zr +mp-24153,LaH2,-4.6516989933,-0.7445459283,0.0,-0.0321001865,GGA,Fm-3m,A2B_cF12_225_c_a:H-La,3.0,A2B_cF12_225_c_a:H-La +mp-1247737,LaFe9,-7.90160845,0.2150113495,0.2150113495,0.2150113495,GGA,I4/mcm,A9B_tI40_140_dkl_a:Fe-La,20.0,"Invalid WP multiplicities - A9B_tI40_140_2d6k6l_a:Fe-La, expected LaFe50 to be LaFe9" +mp-1103808,La4H9,-4.6074292569,-0.7398475012,0.0,-0.0022740127,GGA,I4/mmm,A9B4_tI26_139_am_ce:H-La,13.0,A9B4_tI26_139_am_ce:H-La +mp-570653,LaFe5H12,-5.0677236133,-0.1788999636,0.0147954178,0.0147954178,GGA,P6/mmm,A5B12C_hP18_191_cg_o_a:Fe-H-La,18.0,"Invalid WP multiplicities - A5B12C_hP18_191_2c2g_o_a:Fe-H-La, expected La(Fe5H6)2 to be LaFe5H12" +mp-24813,LaFe5H2,-6.8414210762,-0.0824754206,0.1967293025,0.1967293025,GGA,Cmmm,A5B2C_oC16_65_aeh_g_c:Fe-H-La,8.0,A5B2C_oC16_65_aeh_g_c:Fe-H-La +mp-1194198,LaFe5H7,-5.6517081215000005,-0.1874623162,0.0701966277,0.0701966277,GGA,Cccm,A5B7C_oC52_66_akl_egm_d:Fe-H-La,26.0,A5B7C_oC52_66_akl_egm_d:Fe-H-La +mp-570943,LaFe5H7,-5.6436573765,-0.1794115712,0.0782473727,0.0782473727,GGA,P6_3mc,A5B7C_hP26_186_2bc_b2c_a:Fe-H-La,26.0,"Invalid WP multiplicities - A5B7C_hP26_186_4b4c_2b7c_a:Fe-H-La, expected LaFe16H23 to be LaFe5H7" +mp-2647067,LaH20,-3.5169340048,-0.0507183855,0.0826989426,0.0826989426,GGA,R-3m,A20B_hR63_166_cf2h_a:H-La,21.0,A20B_hR63_166_cf2h_a:H-La +mp-973064,LaH3,-4.4757784325,-0.6972321225,0.00320885,-0.05708465,GGA,I4/mmm,A3B_tI8_139_ad_b:H-La,4.0,A3B_tI8_139_ad_b:H-La +mp-1018144,LaH3,-4.4789872825,-0.7004409725,0.0,-0.0602935,GGA,Fm-3m,A3B_cF16_225_ac_b:H-La,4.0,A3B_cF16_225_ac_b:H-La +mp-1103947,La2H5,-4.5649995636,-0.7313360729,0.0002610386,-0.0065005826,GGA,I4_1md,A5B2_tI28_109_ac_2a:H-La,14.0,A5B2_tI28_109_ac_2a:H-La +mp-1104116,La2H5,-4.5652606021,-0.7315971114,0.0,-0.0067616212,GGA,I4_1/amd,A5B2_tI28_141_af_e:H-La,14.0,A5B2_tI28_141_af_e:H-La +mp-28993,La(AuF4)3,-4.5025813056,-2.1466187609,0.0,-0.0004966686,GGA,R-3c,A3B12C_hR96_167_e_2ef_a:Au-F-La,32.0,"Invalid WP multiplicities - A3B12C_hR96_167_e_2e2f_a:Au-F-La, expected La(AuF6)3 to be La(AuF4)3" +mp-3817,La2Au5F21,-4.6348530403,-2.2640500929,0.0,-0.0057374078,GGA,P4_12_12,A5B21C2_tP112_92_a2b_a10b_b:Au-F-La,112.0,"Invalid WP multiplicities - A5B21C2_tP112_92_a2b_a12b_b:Au-F-La, expected La2(AuF5)5 to be La2Au5F21" +mp-30013,SbKr3F11,-2.9594398550000003,-1.2710789288,0.005972472,0.005972472,GGA,P-1,A11B3C_aP30_2_11i_3i_i:F-Kr-Sb,30.0,A11B3C_aP30_2_11i_3i_i:F-Kr-Sb +mp-559168,Sb2(KrF4)5,-3.1037149614,-1.3714499547,0.0057334019,0.0057334019,GGA,P2_1/c,A20B5C2_mP108_14_20e_5e_2e:F-Kr-Sb,108.0,"Invalid WP multiplicities - A20B5C2_mP108_14_77e_17e_5e:F-Kr-Sb, expected Sb5Kr17F77 to be Sb2(KrF4)5" +mp-30011,SbKrF7,-3.829628545,-1.8778431358,0.0,-0.0248490207,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Kr-Sb,36.0,A7BC_mP36_14_7e_e_e:F-Kr-Sb +mp-1216450,V6GaSb,-7.90320929,-0.1956425797,0.0230152894,0.0230152894,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ga-Sb-V,8.0,ABC6_cP8_200_a_b_f:Ga-Sb-V +mp-1205351,La4Se3N2,-7.3187085239,-2.1070693347,0.0,-0.1069646299,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:La-N-Se,18.0,A4B2C3_mC36_15_2f_f_ef:La-N-Se +mp-1224631,La5Se6N,-6.7488553572,-2.2495220809,0.0,-0.0135575309,GGA,Cc,A5BC6_mC192_9_20a_4a_24a:La-N-Se,96.0,"Invalid WP multiplicities - A5BC6_mC192_9_29a_6a_35a:La-N-Se, expected La29Se35N6 to be La5Se6N" +mp-1101774,YSnIr,-7.2691664158,-0.8310073664000001,0.0,-0.1185059383,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sn-Y,12.0,ABC_oP12_62_c_c_c:Ir-Sn-Y +mp-3109,UGeTe,-6.9986515217,-0.6460702689000001,0.0,-0.0033696114,GGA,I4/mmm,ABC_tI12_139_c_e_e:Ge-Te-U,6.0,ABC_tI12_139_c_e_e:Ge-Te-U +mp-1217578,U12Ge3Te20,-6.913460994,-0.8496860925,0.0201672354,0.0201672354,GGA,Pmm2,A3B20C12_oP35_25_be_ac4e5f_ac2e3f:Ge-Te-U,35.0,"Invalid WP multiplicities - A3B20C12_oP35_25_be_ac7e8f_ac3e5f:Ge-Te-U, expected U18Ge3Te32 to be U12Ge3Te20" +mp-1202016,Tm6Al43W4,-4.7889621874,-0.2654283355,0.0,-0.0040716847,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tm-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tm-W +mp-1080665,ScPIr,-8.0514231322,-1.1900212017,0.0,-0.1222517975,GGA,P-62m,ABC_hP9_189_f_bc_g:Ir-P-Sc,9.0,ABC_hP9_189_f_bc_g:Ir-P-Sc +mp-1219419,Sc5P12Ir19,-8.0909767311,-0.7423038138,0.0,-0.0053899407,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Sc,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Sc +mp-554688,Ba6Hf5S16,-6.8506779819,-2.1290856611,0.0290267626,0.0290267626,GGA,I4/mmm,A6B5C16_tI54_139_3e_a2e_c3e2g:Ba-Hf-S,27.0,"Invalid WP multiplicities - A6B5C16_tI54_139_6e_a3e_2c5e5g:Ba-Hf-S, expected Ba12Hf7S34 to be Ba6Hf5S16" +mp-1189858,Ba4Hf3S10,-6.7888069188,-2.1469265942,0.0216363691,0.0216363691,GGA,I4/mmm,A4B3C10_tI34_139_2e_ae_c2eg:Ba-Hf-S,17.0,A4B3C10_tI34_139_2e_ae_c2eg:Ba-Hf-S +mp-9321,Ba2HfS4,-6.5432919557,-2.2088721875,0.0,-0.0143277839,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Ba-Hf-S,7.0,A2BC4_tI14_139_e_a_ce:Ba-Hf-S +mp-557032,Ba5Hf4S13,-6.8270021645,-2.1362076605,0.0259424717,0.0259424717,GGA,I4/mmm,A5B4C13_tI44_139_a2e_2e_b2e2g:Ba-Hf-S,22.0,"Invalid WP multiplicities - A5B4C13_tI44_139_a4e_4e_b3e6g:Ba-Hf-S, expected Ba9Hf8S31 to be Ba5Hf4S13" +mp-998419,BaHfS3,-6.9899430095,-2.1328402954,0.007506211,-0.0129230315,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ba-Hf-S,20.0,ABC3_oP20_62_c_c_3c:Ba-Hf-S +mp-1105549,BaHfS3,-6.9974492205,-2.1403465064,0.0,-0.0204292425,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ba-Hf-S,20.0,ABC3_oP20_62_c_a_cd:Ba-Hf-S +mp-998361,BaHfS3,-5.426521662,-0.5694189479,1.5709275585,1.550498316,GGA,Cmmm,ABC3_oC10_65_a_c_bf:Ba-Hf-S,5.0,ABC3_oC10_65_a_c_bf:Ba-Hf-S +mp-998352,BaHfS3,-6.96909416,-2.1119914459,0.0283550605,0.007925818,GGA,R3m,ABC3_hR15_160_a_a_b:Ba-Hf-S,5.0,ABC3_cP5_221_a_b_c:Ba-Hf-S +mp-1383356,BaHfS3,-6.969186516,-2.1120838019,0.0282627045,0.007833462,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Hf-S,5.0,ABC3_cP5_221_a_b_c:Ba-Hf-S +mp-1195809,Gd2HfS5,-9.5561963516,-2.207235996,0.0,-0.0016847588,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Gd-Hf-S,32.0,A2BC5_oP32_62_d_c_3cd:Gd-Hf-S +mp-1227796,Ce(YSi)4,-6.6529257539,-0.7084540063,0.0243239349,0.0243239349,GGA,P2_12_12_1,AB4C4_oP36_19_a_4a_4a:Ce-Si-Y,36.0,AB4C4_oP36_19_a_4a_4a:Ce-Si-Y +mp-1207182,Ce2YSi2,-6.425525108,-0.5888680113,0.0244463323,0.0244463323,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Si-Y,10.0,A2B2C_tP10_127_h_g_a:Ce-Si-Y +mp-1197619,La4(DyS2)11,-6.7620293281,-2.39931093,0.0017138178,0.0017138178,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Dy-La-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Dy-La-S +mp-1224136,Ho4FeS7,-6.6447431158,-1.9985093027,0.103099206,0.103099206,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Fe-Ho-S,12.0,AB4C7_mC24_8_a_4a_7a:Fe-Ho-S +mp-510492,PuRh3C,-9.328010456,-0.2101249695,0.1207663905,0.1207663905,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pu-Rh,5.0,ABC3_cP5_221_b_a_c:C-Pu-Rh +mp-1215573,Zr2CoS4,-7.39814304,-1.5767832511000002,0.0080229621,0.0080229621,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Co-S-Zr,7.0,AB4C2_mC14_8_a_4a_2a:Co-S-Zr +mp-10714,TmRh3C,-7.69951597,-0.5400310648000001,0.0,-0.0811008705,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Tm,5.0,AB3C_cP5_221_b_c_a:C-Rh-Tm +mp-1191607,Tm8Rh5C12,-7.7423815468,-0.4074932009,0.0882240205,0.0882240205,GGA,C2/m,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Tm,25.0,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Tm +mp-5443,Nb2SnC,-8.7727687612,-0.4125569044,0.0,-0.0421145169,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Nb-Sn,8.0,AB2C_hP8_194_a_f_c:C-Nb-Sn +mp-570477,LaSmI4,-4.1114399075,-1.5200968008,0.1106324621,0.1106324621,GGA,C2/c,A4BC_mC24_15_2f_e_e:I-La-Sm,12.0,"Invalid WP multiplicities - A4BC_mC24_15_5f_e_e:I-La-Sm, expected LaSmI10 to be LaSmI4" +mp-1093649,Nb2VOs,-5.9046827875000005,4.2237881075,4.50344116,4.50344116,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Os-V,4.0,A2BC_oI8_71_e_a_b:Nb-Os-V +mp-1096104,NbV2Os,-5.825914655,4.0482064975,4.3658392013,4.3658392013,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Os-V,4.0,ABC2_oI8_71_a_b_e:Nb-Os-V +mp-982725,Nb2RuW,-10.755195385,-0.1464096725,0.0,-0.005195255,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nb-Ru-W,4.0,A2BC_cF16_225_c_a_b:Nb-Ru-W +mp-1078880,UGaRu,-8.2149333622,-0.3502971714,0.0,-0.0709290908,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ru-U,9.0,ABC_hP9_189_f_bc_g:Ga-Ru-U +mp-1078343,UGa5Ru,-5.4484780743,-0.3475791225,0.0,-0.0205900096,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ru-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Ru-U +mp-21493,U2Ga8Ru,-5.4017903627,-0.3034275682,0.0048277691,0.0048277691,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:Ga-Ru-U,11.0,A8BC2_tP11_123_ehi_a_g:Ga-Ru-U +mp-1222428,Lu(VFe5)2,-8.3446701138,-0.0839797477,0.0353749665,0.0353749665,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Lu-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Lu-V +mp-754203,SmErO3,-8.72604912,-3.9007749043,0.0595117541,0.0595117541,GGA,Pnma,AB3C_oP20_62_a_cd_c:Er-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Er-O-Sm, expected SmErO7 to be SmErO3" +mp-1245618,Ge2TeN2,-5.895410268,-0.0829399773,0.1539789493,0.1539789493,GGA,Cmc2_1,A2B2C_oC20_36_b_b_a:Ge-N-Te,10.0,A2B2C_oC20_36_b_b_a:Ge-N-Te +mp-541175,Sc7CoI12,-4.8446993345,-1.388899448,0.0,-0.0807673819,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Co-I-Sc,20.0,AB12C7_hR60_148_a_2f_bf:Co-I-Sc +mp-971830,U3Sb4Rh3,-7.867521064,-0.619205204,0.0,-0.0599167477,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Rh-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Rh-Sb-U +mp-10624,USbRh,-8.1720565367,-0.5771501633,0.0136006633,0.0136006633,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sb-U,3.0,ABC_cF12_216_c_a_b:Rh-Sb-U +mp-1196930,BiXeF7,-3.6284730944,-1.7110268642,0.0069495422,0.0069495422,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Bi-F-Xe,36.0,AB7C_mP36_14_e_7e_e:Bi-F-Xe +mp-1204919,Bi2XeF12,-3.929189102,-1.8855290993,0.0002972693,0.0002972693,GGA,P2_12_12_1,A2B12C_oP60_19_2a_12a_a:Bi-F-Xe,60.0,A2B12C_oP60_19_2a_12a_a:Bi-F-Xe +mp-555132,BiXeF9,-3.4725499095,-1.5561886361,0.0004643759,0.0004643759,GGA,P-1,AB9C_aP22_2_i_9i_i:Bi-F-Xe,22.0,"Invalid WP multiplicities - AB9C_aP22_2_i_18i_i:Bi-F-Xe, expected BiXeF18 to be BiXeF9" +mp-1079513,K2As2Pt,-4.021485168,-0.4994515632,0.0,-0.120792639,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-K-Pt,10.0,A2B2C_oC20_63_g_2c_a:As-K-Pt +mp-1246196,Sc2Co3N4,-8.1744511494,-0.6926876722,0.2716988689,0.2716988689,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Co-N-Sc,18.0,A3B4C2_mC36_15_ef_2f_f:Co-N-Sc +mp-31055,Sc3InN,-7.209011366,-1.191894172,0.0,-0.129977572,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Sc,5.0,ABC3_cP5_221_a_b_c:In-N-Sc +mp-980387,DyYIr2,-8.00606562,-0.8185340417,0.0017248328,0.0017248328,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Ir-Y,4.0,AB2C_cF16_225_a_c_b:Dy-Ir-Y +mp-1246103,Mn10CdN8,-8.6458148242,-0.265025241,0.1644949971,0.1644949971,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Cd-Mn-N,19.0,AB10C8_mC38_12_a_5i_4i:Cd-Mn-N +mp-1245345,Mn3Cd8N9,-5.2686624937,0.2262184203,0.3696710662,0.3696710662,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Cd-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Cd-Mn-N +mp-1246249,Mn2Cd9N8,-4.6266264674,0.2850576286,0.3857261521,0.3857261521,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Cd-Mn-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Cd-Mn-N +mp-1246842,Mn(CdN)2,-5.418767,0.1173899324,0.308660127,0.308660127,GGA,R-3m,A2BC2_hR15_166_c_a_c:Cd-Mn-N,5.0,A2BC2_mC10_12_i_a_i:Cd-Mn-N +mp-1247363,Mn(CdN)3,-5.1149246443,0.1622424053,0.2988639729,0.2988639729,GGA,P6_3/mmc,A3BC3_hP14_194_h_c_h:Cd-Mn-N,14.0,A3BC3_hP14_194_h_c_h:Cd-Mn-N +mp-1246604,Mn2CdN2,-7.39698389,-0.2130018512,0.169538538,0.169538538,GGA,C2/m,AB2C2_mC10_12_a_i_i:Cd-Mn-N,5.0,AB2C2_mC10_12_a_i_i:Cd-Mn-N +mp-1245670,Mn2CdN2,-7.324464312,-0.1404822732,0.242058116,0.242058116,GGA,Pmmn,AB2C2_oP10_59_a_e_e:Cd-Mn-N,10.0,AB2C2_oP10_59_a_e_e:Cd-Mn-N +mp-1245677,Mn2CdN2,-5.615560333,1.5684217058,1.950962095,1.950962095,GGA,P-43m,AB2C2_cP10_215_ab_e_e:Cd-Mn-N,10.0,AB2C2_cP10_215_ab_e_e:Cd-Mn-N +mp-1246764,Mn(CdN)4,-4.9242715578,0.2090122236,0.3152734428,0.3152734428,GGA,C2/m,A4BC4_mC36_12_gij_i_2ij:Cd-Mn-N,18.0,"Invalid WP multiplicities - A4BC4_mC36_12_gij_i_2i2j:Cd-Mn-N, expected Mn(Cd2N3)2 to be Mn(CdN)4" +mp-1195689,Y5(Ge5Os2)2,-7.0507192734,-0.5521874925,0.0,-0.0344657311,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Os-Y,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Os-Y +mp-1198205,Y3Ge13Os4,-6.5619129075,-0.3415006488,0.0,-0.0030039833,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Os-Y,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Os-Y +mp-1105453,SbPbF7,-5.0593291511,-2.7013290308,0.0,-0.0903194575,GGA,P-1,A7BC_aP18_2_7i_i_i:F-Pb-Sb,18.0,A7BC_aP18_2_7i_i_i:F-Pb-Sb +mp-1047895,Mo4O9,-8.6264415162,-1.8646877591,0.1290395603,0.1290395603,GGA+U,P4/m,A4B9_tP13_83_j_ajk:Mo-O,13.0,A4B9_tP13_83_j_ajk:Mo-O +mp-30544,Mo5O14,-8.435355257,-1.9363082829,0.0076132399,0.0076132399,GGA+U,P2_1/c,A5B14_mP76_14_5e_14e:Mo-O,76.0,"Invalid WP multiplicities - A5B14_mP76_14_5e_17e:Mo-O, expected Mo5O17 to be Mo5O14" +mp-1239172,Mo5O14,-8.4234329382,-1.9243859641,0.0195355587,0.0195355587,GGA+U,P4/mbm,A5B14_tP152_127_2g4i_2g2h8i4j:Mo-O,152.0,A5B14_tP152_127_2g4i_2g2h8i4j:Mo-O +mp-1371699,Mo2O3,-8.7973643075,-1.4910910368,0.329072009,0.329072009,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Mo-O,20.0,A2B3_oC40_63_2f_ac2f:Mo-O +mp-558247,Mo4O11,-8.460724806,-1.9409797218,0.0068658941,0.0068658941,GGA+U,P2_1/c,A4B11_mP60_14_4e_11e:Mo-O,60.0,"Invalid WP multiplicities - A4B11_mP60_14_14e_42e:Mo-O, expected MoO3 to be Mo4O11" +mp-542610,Mo4O11,-8.4524764648,-1.9327313806,0.0151142353,0.0151142353,GGA+U,Pna2_1,A4B11_oP60_33_4a_11a:Mo-O,60.0,A4B11_oP60_33_4a_11a:Mo-O +mp-540786,Mo4O11,-8.4601229092,-1.9403778249,0.007467791,0.007467791,GGA+U,Pnma,A4B11_oP60_62_4c_a4c3d:Mo-O,60.0,A4B11_oP60_62_4c_a4c3d:Mo-O +mp-285,Mo17O47,-8.452216598,-1.9386162653,0.0080643855,0.0080643855,GGA+U,Pba2,A17B47_oP128_32_a8c_a23c:Mo-O,128.0,"Invalid WP multiplicities - A17B47_oP128_32_a8c_a26c:Mo-O, expected Mo17O53 to be Mo17O47" +mp-543061,Mo4O5,-8.5726454339,-1.004196101,0.6811400525,0.6811400525,GGA+U,I4_1md,A4B5_tI72_109_4b_5b:Mo-O,36.0,"Invalid WP multiplicities - A4B5_tI72_109_8b_16b:Mo-O, expected MoO2 to be Mo4O5" +mp-1201958,Mo8O23,-8.4000568491,-1.9310555188,0.0071697398,0.0038458671,GGA+U,Pc,A8B23_mP124_7_16a_46a:Mo-O,124.0,A8B23_mP124_7_16a_46a:Mo-O +mp-2669,Mo8O23,-8.4012266131,-1.9322252828,0.0059999759,0.0026761032,GGA+U,P2/c,A8B23_mP62_13_4g_a11g:Mo-O,62.0,"Invalid WP multiplicities - A8B23_mP62_13_4g_a13g:Mo-O, expected Mo8O27 to be Mo8O23" +mp-560190,Mo8O23,-8.407226589,-1.9382252587,0.0,-0.0033238727,GGA+U,P2/c,A8B23_mP124_13_8g_23g:Mo-O,124.0,"Invalid WP multiplicities - A8B23_mP124_13_31g_88g:Mo-O, expected Mo31O88 to be Mo8O23" +mp-1221492,Mo2O,-7.4326404133,1.4466892304,2.4578909225,2.4578909225,GGA+U,Fm-3m,A2B_cF12_225_c_a:Mo-O,3.0,A2B_cF12_225_c_a:Mo-O +mp-640818,Mo9O26,-8.3640011363,-1.9004366368,0.0363372977,0.0363372977,GGA+U,P-1,A9B26_aP140_2_18i_52i:Mo-O,140.0,"Invalid WP multiplicities - A9B26_aP140_2_35i_104i:Mo-O, expected Mo35O104 to be Mo9O26" +mp-27701,Mo9O26,-8.3966786477,-1.9331141482,0.0036597863,0.0036597863,GGA+U,P2/c,A9B26_mP70_13_e4g_ae12g:Mo-O,70.0,"Invalid WP multiplicities - A9B26_mP70_13_e4g_ae13g:Mo-O, expected Mo9O28 to be Mo9O26" +mp-706490,Mo9O26,-8.3571376241,-1.8935731246,0.0432008098,0.0432008098,GGA+U,C2/c,A9B26_mC280_15_9f_cd25f:Mo-O,140.0,"Invalid WP multiplicities - A9B26_mC280_15_33f_2ab97f:Mo-O, expected Mo66O197 to be Mo9O26" +mp-1180281,Mo3O10,-7.8993149754,-1.5913274798,0.1860812942,0.1860812942,GGA+U,Aea2,A3B10_oC52_41_ab_2a4b:Mo-O,26.0,A3B10_oC52_41_ab_2a4b:Mo-O +mp-1180348,Mo3O10,-7.9330940335,-1.6251065379,0.1523022362,0.1523022362,GGA+U,P6_3/m,A3B10_hP26_176_h_a3h:Mo-O,26.0,A3B10_hP26_176_h_a3h:Mo-O +mp-1180203,MoO4,-7.197824207,-1.071343216,0.4690777215,0.4690777215,GGA+U,P-1,AB4_aP10_2_i_4i:Mo-O,10.0,AB4_aP10_2_i_4i:Mo-O +mp-1300873,MoO4,-5.952843725,0.173637266,1.7140582035,1.7140582035,GGA+U,P-1,AB4_aP10_2_i_4i:Mo-O,10.0,AB4_aP10_2_i_4i:Mo-O +mp-1206498,MoO4,-7.060027955,-0.933546964,0.6068739735,0.6068739735,GGA+U,C2/m,AB4_mC20_12_i_2ij:Mo-O,10.0,AB4_mC20_12_i_2ij:Mo-O +mp-1221467,MoO4,-7.160818202,-1.034337211,0.5060837265,0.5060837265,GGA+U,C2/c,AB4_mC20_15_e_2f:Mo-O,10.0,AB4_mC20_15_e_2f:Mo-O +mp-1180296,Mo2O7,-7.6301617628,-1.3725927407,0.3389860787,0.3389860787,GGA+U,P2_1/m,A2B7_mP18_11_2e_7e:Mo-O,18.0,A2B7_mP18_11_2e_7e:Mo-O +mp-1445089,MoO3,-8.3369855369,-1.9155564759,0.0099696959,-0.036139943,GGA+U,P1,AB3_aP16_1_4a_12a:Mo-O,16.0,AB3_aP16_1_4a_12a:Mo-O +mp-1244966,MoO3,-7.8209817467,-1.3995526858,0.5259734861,0.4798638472,GGA+U,P1,AB3_aP100_1_25a_75a:Mo-O,100.0,AB3_aP100_1_25a_75a:Mo-O +mp-1245044,MoO3,-8.1921428146,-1.7707137537,0.1548124182,0.1087027793,GGA+U,P1,AB3_aP100_1_25a_75a:Mo-O,100.0,AB3_aP100_1_25a_75a:Mo-O +mp-1245125,MoO3,-7.7578260523,-1.3363969914,0.5891291805000001,0.5430195416,GGA+U,P1,AB3_aP100_1_25a_75a:Mo-O,100.0,AB3_aP100_1_25a_75a:Mo-O +mp-1245293,MoO3,-7.8167514562,-1.3953223953,0.5302037766000001,0.4840941377,GGA+U,P1,AB3_aP100_1_25a_75a:Mo-O,100.0,AB3_aP100_1_25a_75a:Mo-O +mp-715474,MoO3,-8.2874026681,-1.8659736072,0.0595525647,0.0134429258,GGA+U,Pc,AB3_mP16_7_2a_6a:Mo-O,16.0,AB3_mP16_7_2a_6a:Mo-O +mp-715574,MoO3,-8.287561605,-1.8661325441,0.0593936278,0.0132839889,GGA+U,Pc,AB3_mP16_7_2a_6a:Mo-O,16.0,AB3_mP16_7_2a_6a:Mo-O +mp-715584,MoO3,-8.3443294112,-1.9229003503,0.0026258216,-0.0434838173,GGA+U,Pc,AB3_mP16_7_2a_6a:Mo-O,16.0,AB3_mP16_7_2a_6a:Mo-O +mp-685156,MoO3,-7.5789373269,-1.1575082659,0.7680179059000001,0.721908267,GGA+U,Pc,AB3_mP16_7_2a_6a:Mo-O,16.0,"Invalid WP multiplicities - AB3_mP16_7_2a_10a:Mo-O, expected MoO5 to be MoO3" +mp-18856,MoO3,-8.3469552328,-1.9255261719,0.0,-0.0461096389,GGA+U,P2_1/c,AB3_mP32_14_2e_6e:Mo-O,32.0,AB3_mP32_14_2e_6e:Mo-O +mp-2704783,MoO3,-7.8543503069,-1.4329212459,0.4926049259,0.446495287,GGA+U,Pc,AB3_mP16_7_2a_6a:Mo-O,16.0,"Invalid WP multiplicities - AB3_mP16_7_2a_10a:Mo-O, expected MoO5 to be MoO3" +mp-562561,MoO3,-8.3084974475,-1.8870683866,0.0384577853,-0.0076518536,GGA+U,P2_1/m,AB3_mP8_11_e_3e:Mo-O,8.0,AB3_mP8_11_e_3e:Mo-O +mp-1393075,MoO3,-8.2808438906,-1.8594148297,0.0661113422,0.0200017033,GGA+U,Pnma,AB3_oP16_62_a_cd:Mo-O,16.0,AB3_oP16_62_a_cd:Mo-O +mp-20589,MoO3,-8.3075603437,-1.8861312828,0.0393948891,-0.0067147498,GGA+U,Pnma,AB3_oP16_62_c_3c:Mo-O,16.0,AB3_oP16_62_c_3c:Mo-O +mp-796276,MoO3,-8.2968322412,-1.8754031803,0.0501229916,0.0040133527,GGA+U,Cmcm,AB3_oC16_63_c_3c:Mo-O,8.0,AB3_oC16_63_c_3c:Mo-O +mp-1369275,MoO3,-7.3887042346,-0.9672751736,0.9582509982,0.9121413593,GGA+U,P6_3cm,AB3_hP24_185_c_ab2c:Mo-O,24.0,AB3_hP24_185_c_ab2c:Mo-O +mp-1396061,MoO3,-7.3820810025,-0.9606519416,0.9648742303,0.9187645914,GGA+U,P6_3/mmc,AB3_hP8_194_c_bf:Mo-O,8.0,AB3_hP8_194_c_bf:Mo-O +mp-1044452,Mo3O7,-8.486071073,-1.7696939421,0.2154305579,0.2154305579,GGA+U,Pnma,A3B7_oP40_62_cd_c3d:Mo-O,40.0,"Invalid WP multiplicities - A3B7_oP40_62_c2d_c3d:Mo-O, expected Mo5O7 to be Mo3O7" +mp-1393345,Mo3O8,-8.2500011991,-1.6945048336,0.2601187612,0.2601187612,GGA+U,C2/m,A3B8_mC22_12_ah_2ij:Mo-O,11.0,A3B8_mC22_12_ah_2ij:Mo-O +mp-715479,Mo3O8,-8.2252367345,-1.6697403691,0.2848832257,0.2848832257,GGA+U,C2/m,A3B8_mC22_12_af_2ij:Mo-O,11.0,"Invalid WP multiplicities - A3B8_mC22_12_a2e_2i2j:Mo-O, expected Mo5O12 to be Mo3O8" +mp-1173004,Mo3O8,-8.2545086159,-1.6990122505,0.2556113444,0.2556113444,GGA+U,C2/m,A3B8_mC44_12_ij_4i2j:Mo-O,22.0,"Invalid WP multiplicities - A3B8_mC44_12_2i2j_5i3j:Mo-O, expected Mo6O11 to be Mo3O8" +mp-25274,Mo3O8,-8.1839735,-1.6284771345,0.3261464603,0.3261464603,GGA+U,R-3m,A3B8_hR33_166_d_ch:Mo-O,11.0,A3B8_hR33_166_d_ch:Mo-O +mp-1323723,Mo3O8,-8.1831056064,-1.6276092409,0.3270143539,0.3270143539,GGA+U,P6_3mc,A3B8_hP22_186_c_ab2c:Mo-O,22.0,"Invalid WP multiplicities - A3B8_hP22_186_c_a2b3c:Mo-O, expected MoO4 to be Mo3O8" +mp-1409713,Mo2O5,-8.39525022,-1.7631439663,0.2060038691,0.2060038691,GGA+U,Pbam,A2B5_oP14_55_g_agh:Mo-O,14.0,A2B5_oP14_55_g_agh:Mo-O +mp-1412716,Mo2O5,-8.5216958193,-1.8895895655,0.0795582698,0.0795582698,GGA+U,Pmmn,A2B5_oP14_59_e_a2e:Mo-O,14.0,"Invalid WP multiplicities - A2B5_oP14_59_e_a3e:Mo-O, expected Mo2O7 to be Mo2O5" +mp-1043432,Mo2O5,-8.4903424257,-1.858236172,0.1109116634,0.1109116634,GGA+U,Cmcm,A2B5_oC28_63_f_c2f:Mo-O,14.0,"Invalid WP multiplicities - A2B5_oC28_63_f_2c5f:Mo-O, expected MoO6 to be Mo2O5" +mp-28777,Mo9O25,-8.4456103021,-1.9374318088,0.0082209315,0.0082209315,GGA+U,P2/c,A9B25_mP68_13_e4g_f12g:Mo-O,68.0,"Invalid WP multiplicities - A9B25_mP68_13_e4g_f15g:Mo-O, expected Mo9O31 to be Mo9O25" +mp-1351647,MoO2,-8.6365178027,-1.7235086252,0.298894759,0.0721166243,GGA+U,P1,AB2_aP48_1_16a_32a:Mo-O,48.0,AB2_aP48_1_16a_32a:Mo-O +mp-715482,MoO2,-8.67947383,-1.7664646525,0.2559387317,0.029160597,GGA+U,P-1,AB2_aP12_2_abde_4i:Mo-O,12.0,"Invalid WP multiplicities - AB2_aP12_2_abde_8i:Mo-O, expected MoO4 to be MoO2" +mp-714883,MoO2,-8.7254649633,-1.8124557858,0.2099475983,-0.0168305363,GGA+U,C2/m,AB2_mC6_12_a_i:Mo-O,3.0,AB2_mC6_12_a_i:Mo-O +mp-559140,MoO2,-8.7413967883,-1.8283876108,0.1940157733,-0.0327623613,GGA+U,P2_1/c,AB2_mP12_14_e_2e:Mo-O,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_6e:Mo-O, expected MoO6 to be MoO2" +mp-715550,MoO2,-8.9339387533,-2.0209295758,0.0014738083,-0.2253043263,GGA+U,Pnnm,AB2_oP6_58_a_g:Mo-O,12.0,AB2_oP6_58_a_g:Mo-O +mp-1047075,MoO2,-8.8554515683,-1.9424423908,0.0799609933,-0.1468171413,GGA+U,Pnma,AB2_oP24_62_2c_4c:Mo-O,24.0,AB2_oP24_62_2c_4c:Mo-O +mp-1041997,MoO2,-8.7246459967,-1.8116368192,0.210766565,-0.0160115696,GGA+U,Cmcm,AB2_oC12_63_a_f:Mo-O,6.0,AB2_oC12_63_a_f:Mo-O +mp-1047621,MoO2,-8.6838026158,-1.7707934383,0.2516099458,0.0248318112,GGA+U,Cmcm,AB2_oC24_63_f_acf:Mo-O,12.0,AB2_oC24_63_f_acf:Mo-O +mp-635966,MoO2,-8.705885125,-1.7928759475,0.2295274367,0.002749302,GGA+U,Fddd,AB2_oF48_70_c_h:Mo-O,12.0,AB2_oF48_70_c_h:Mo-O +mp-1041993,MoO2,-8.654497515,-1.7414883375,0.2809150467,0.054136912,GGA+U,Imma,AB2_oI24_74_ae_hi:Mo-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_ae_3h2i:Mo-O, expected MoO5 to be MoO2" +mp-1383701,MoO2,-8.8529153425,-1.939906165,0.0824972192,-0.1442809155,GGA+U,I4/m,AB2_tI24_87_h_2h:Mo-O,12.0,AB2_tI24_87_h_2h:Mo-O +mp-510536,MoO2,-8.9354125617,-2.0224033842,0.0,-0.2267781346,GGA+U,P4_2/mnm,AB2_tP6_136_a_f:Mo-O,6.0,AB2_tP6_136_a_f:Mo-O +mp-714969,MoO2,-8.7064261292,-1.7934169517,0.2289864325,0.0022082979,GGA+U,I4_1/amd,AB2_tI24_141_c_h:Mo-O,12.0,AB2_oF48_70_c_h:Mo-O +mp-25571,MoO2,-8.6845173733,-1.7715081958,0.2508951883,0.0241170537,GGA+U,R-3m,AB2_hR9_166_a_c:Mo-O,3.0,AB2_hR9_166_a_c:Mo-O +mp-25349,MoO2,-8.51768854,-1.6046793625,0.4177240217,0.190945887,GGA+U,R-3m,AB2_hR9_166_a_c:Mo-O,3.0,AB2_hR9_166_a_c:Mo-O +mp-1412175,MoO2,-6.8847566867,0.0282524908,2.050655875,1.8238777404,GGA+U,P6_3/mmc,AB2_hP6_194_c_f:Mo-O,6.0,AB2_hP6_194_c_f:Mo-O +mp-1094123,MoO2,-8.5778301017,-1.6648209242,0.35758246,0.1308043254,GGA+U,P6_3/mmc,AB2_hP6_194_c_f:Mo-O,6.0,AB2_hP6_194_c_f:Mo-O +mp-25427,MoO2,-8.6932916783,-1.7802825008,0.2421208833,0.0153427487,GGA+U,Fd-3m,AB2_cF48_227_c_e:Mo-O,12.0,AB2_cF48_227_c_e:Mo-O +mp-796331,MoO5,-6.5448129125,-0.6149639681,0.6687201465,0.6687201465,GGA+U,Pm,AB5_mP12_6_2a_4a2b2c:Mo-O,12.0,AB5_mP12_6_2a_4a2b2c:Mo-O +mp-1180197,MoO5,-6.4614011808,-0.5315522365,0.7521318781,0.7521318781,GGA+U,P2/m,AB5_mP12_10_m_acehmo:Mo-O,12.0,AB5_mP12_10_m_bcdhmo:Mo-O +mp-1221884,Mo13O33,-8.5262942641,-1.9125077663,0.0531668811,0.0531668811,GGA+U,P1,A13B33_aP46_1_13a_33a:Mo-O,46.0,A13B33_aP46_1_13a_33a:Mo-O +mp-1025187,CdPPt5,-5.5791515257,-0.3374574019,0.0,-0.0503909682,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Cd-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Cd-P-Pt +mp-17512,Zn(AuF4)2,-3.7992353836,-1.6992954427,0.0,-0.0289308115,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Au-F-Zn,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Au-F-Zn, expected Zn(AuF5)2 to be Zn(AuF4)2" +mp-1220503,Nb3WSe8,-7.0131476483,-1.0773695507,0.0123494417,0.007686556,GGA,Cm,A3B8C_mC24_8_3a_8a_a:Nb-Se-W,12.0,A3B8C_mC24_8_3a_8a_a:Nb-Se-W +mp-1220566,Nb3WSe8,-7.02549709,-1.0897189924,0.0,-0.0046628856,GGA,Cm,A3B8C_mC24_8_3a_8a_a:Nb-Se-W,12.0,A3B8C_mC24_8_3a_8a_a:Nb-Se-W +mp-1220367,NbWSe4,-7.1715545083,-0.9977076449,0.0195088433,0.0195088433,GGA,P-6m2,AB4C_hP6_187_a_gh_d:Nb-Se-W,6.0,"Invalid WP multiplicities - AB4C_hP6_187_a_g2h_d:Nb-Se-W, expected NbWSe6 to be NbWSe4" +mp-1024968,PuB2Rh3,-8.868132725,-0.5815418114,0.0,-0.1386234466,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Pu-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Pu-Rh +mp-1192270,PuReB4,-9.4177917029,-0.5128029365,0.0,-0.0677259525,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Pu-Re,24.0,A4BC_oP24_55_4h_g_g:B-Pu-Re +mp-1106002,PuReB2,-10.4005415056,-0.3827542415,0.0038651468,0.0038651468,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Pu-Re,16.0,A2BC_oP16_62_d_c_c:B-Pu-Re +mp-1201365,Pu2ReB6,-9.2876283717,-0.2813445417,0.2008772735,0.2008772735,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Pu-Re,36.0,A6B2C_oP36_55_6h_2g_g:B-Pu-Re +mp-1221636,MnCrB2,-8.52913684,-0.4856752641,0.0292757075,0.0292757075,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Cr-Mn,4.0,A2BC_oC8_38_ab_a_b:B-Cr-Mn +mp-1221771,Mn3Cr3B8,-8.2529112193,-0.4043167584,0.0602225461,0.0602225461,GGA,Pmm2,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Cr-Mn,14.0,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Cr-Mn +mp-1185590,Mg149I,-1.6238788621,-0.0244449035,0.0,-0.0109688456,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:I-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:I-Mg, expected Mg315I to be Mg149I" +mp-1185676,Mg16Al12I,-2.4821782169,0.0014340972,0.0963396322,0.0963396322,GGA,P1,A12BC16_aP29_1_12a_a_16a:Al-I-Mg,29.0,A12BC16_aP29_1_12a_a_16a:Al-I-Mg +mp-1185683,Mg16Al12I,-2.46834645,0.0152658641,0.1101713991,0.1101713991,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-I-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c3g:Al-I-Mg, expected Mg48Al12I to be Mg16Al12I" +mp-1185906,MgI3,-2.4216356438,-0.9165408688,0.0941634738,0.0941634738,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Mg,8.0,A3B_hP8_194_h_c:I-Mg +mp-23205,MgI2,-2.8632767067,-1.34760579,0.0,-0.5310756797,GGA,P-3m1,A2B_hP3_164_d_a:I-Mg,3.0,A2B_hP3_164_d_a:I-Mg +mp-865810,TiTc2W,-10.79455829,-0.4008332558,0.0,-0.1525499563,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-Ti-W,4.0,A2BC_cF16_225_c_a_b:Tc-Ti-W +mp-1183719,CrRhO3,-7.131647658,-0.7601633632,0.9724235252,0.9724235252,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Cr-O-Rh,5.0,AB3C_cP5_221_a_c_b:Cr-O-Rh +mp-1246226,Ti(SnN)4,-6.5673587356,-0.2029410537,0.2186154161,0.2186154161,GGA,C2/c,A4B4C_mC36_15_2f_2f_e:N-Sn-Ti,18.0,"Invalid WP multiplicities - A4B4C_mC36_15_4f_3f_e:N-Sn-Ti, expected Ti(Sn3N4)2 to be Ti(SnN)4" +mp-1106133,Dy5Ge3C,-5.8471374794,-0.7213948953,0.0,-0.0012180526,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Dy-Ge,18.0,AB5C3_hP18_193_b_dg_g:C-Dy-Ge +mp-1097207,YHfRu2,-5.883280075,2.8598362308,3.4356757891,3.4356757891,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Ru-Y,4.0,AB2C_oI8_71_a_e_b:Hf-Ru-Y +mp-1190033,Tb7MnI12,-4.3756506865,-1.4115019769,0.0,-0.0513519129,GGA,R-3,A12BC7_hR60_148_2f_a_bf:I-Mn-Tb,20.0,A12BC7_hR60_148_2f_a_bf:I-Mn-Tb +mp-865409,UTc2Sn,-9.08491961,-0.0793546712,0.0,-0.0341584211,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sn-Tc-U,4.0,AB2C_cF16_225_a_c_b:Sn-Tc-U +mp-1105605,Tb7FeI12,-4.3807430585,-1.451194053,0.0,-0.0867387684,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Fe-I-Tb,20.0,AB12C7_hR60_148_a_2f_bf:Fe-I-Tb +mp-13243,ScU3Sb5,-7.3384127378,-0.5771121450000001,0.0,-0.0522096078,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Sb-Sc-U,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d2g_b_g:Sb-Sc-U, expected ScU3Sb10 to be ScU3Sb5" +mp-1213363,EuNpO3,-11.0350514735,-3.4260819505,0.0,-0.0090050255,GGA,Pnma,ABC3_oP20_62_c_a_cd:Eu-Np-O,20.0,ABC3_oP20_62_c_a_cd:Eu-Np-O +mp-1245655,ZrCdN2,-7.2290270225,-0.6931319625,0.2870258183,0.2870258183,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Cd-N-Zr,8.0,AB2C_tP8_129_c_ac_c:Cd-N-Zr +mp-1245550,Zr(CdN)4,-5.1510410922,-0.0860144956,0.3496111848,0.3496111848,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Cd-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Cd-N-Zr +mp-1223570,K8SrTe6,-3.1835078873,-1.2213398614,0.0179710047,0.0179710047,GGA,I-42m,A8BC6_tI30_121_j_a_ci:K-Sr-Te,15.0,A8BC6_tI30_121_j_a_ci:K-Sr-Te +mp-558131,Sm2Tc2O7,-8.6689395832,-2.7793694797,0.0041629374,0.0041629374,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sm-Tc,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-Sm-Tc, expected SmTcO10 to be Sm2Tc2O7" +mp-1246844,LiOs2N3,-8.1121717742,0.1166853094,0.3847934942,0.3847934942,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Os,12.0,AB3C2_oC24_36_a_ab_b:Li-N-Os +mp-1245516,Li7OsN4,-5.2728758731,-0.4448919401,0.0680953736,0.0680953736,GGA,Pa-3,A7B4C_cP96_205_c2d_cd_c:Li-N-Os,96.0,A7B4C_cP96_205_c2d_cd_c:Li-N-Os +mp-1246179,Li2OsN2,-6.484911902,-0.1412712993,0.3075938113,0.3075938113,GGA,C2/m,A2B2C_mC10_12_i_i_a:Li-N-Os,5.0,A2B2C_mC10_12_i_i_a:Li-N-Os +mp-1247065,LiOsN2,-7.575809525,-0.1234894883,0.2178619973,0.2178619973,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Li-N-Os,16.0,AB2C_oP16_33_a_2a_a:Li-N-Os +mp-1246322,LiOsN2,-7.4847981848,-0.0324781482,0.3088733374,0.3088733374,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Li-N-Os,64.0,AB2C_oP64_61_2c_4c_2c:Li-N-Os +mp-1247145,LiOsN2,-7.59880156,-0.1464815233,0.1948699623,0.1948699623,GGA,I-42d,AB2C_tI16_122_a_d_b:Li-N-Os,8.0,AB2C_tI16_122_a_d_b:Li-N-Os +mp-1029448,Li5OsN4,-5.948553218,-0.5367570717,0.0,-0.0252378549,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Li-N-Os,20.0,A5B4C_oP20_59_ag_ef_b:Li-N-Os +mp-1029826,Li6OsN4,-5.6320150541,-0.5386619332,0.0,-0.0254917441,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-Os,22.0,A6B4C_tP22_137_df_g_a:Li-N-Os +mp-1245764,Li3OsN2,-5.8199325896000005,-0.2154116096,0.2783618292,0.2783618292,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:Li-N-Os,24.0,A3B2C_mP24_14_3e_2e_e:Li-N-Os +mp-1245766,Li3OsN2,-5.8034476375,-0.1989266575,0.2948467813,0.2948467813,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Os,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Os +mp-1021162,CeMg6C,-2.6782411062,0.4171882622,0.4761991255,0.4761991255,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Ce-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Ce-Mg +mp-1100152,CeMg6C,-2.8690260800000003,0.2264032884,0.2854141517,0.2854141517,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Ce-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Ce-Mg +mp-1192742,Ce6Mg23C,-2.759865737,-0.0387443512,0.0,-0.004396994,GGA,Fm-3m,AB6C23_cF120_225_a_e_bd2f:C-Ce-Mg,30.0,AB6C23_cF120_225_a_e_bd2f:C-Ce-Mg +mp-1099116,CeMg14C,-2.1380737013,0.209781008,0.2392864396,0.2392864396,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Ce-Mg, expected CeMg18C to be CeMg14C" +mp-1026798,CeMg14C,-2.0169600231,0.3308946861,0.3604001177,0.3604001177,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Ce-Mg, expected CeMg26C to be CeMg14C" +mp-1093930,KTl2Pb,-1.5913662350000002,0.7957168426,0.9112916983,0.9112916983,GGA,Immm,ABC2_oI8_71_a_b_e:K-Pb-Tl,4.0,ABC2_oI8_71_a_b_e:K-Pb-Tl +mp-1188846,EuMg2H5,-4.1366957963,-0.3340467806,0.108432123,0.108432123,GGA,P4/mmm,AB5C2_tP8_123_c_ai_g:Eu-H-Mg,8.0,AB5C2_tP8_123_c_ai_g:Eu-H-Mg +mp-643756,EuMgH4,-4.7448766183,-0.5068456133,0.0,-0.0002640779,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Eu-H-Mg,12.0,AB4C_oC24_36_a_4a_a:Eu-H-Mg +mp-643738,Eu(MgH3)2,-4.2038975522,-0.4467955333,0.0,-0.0107620167,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:Eu-H-Mg,9.0,AB6C2_tP9_123_c_abi_g:Eu-H-Mg +mp-644292,Eu2MgH6,-5.2511689122,-0.5322089211000001,0.0343346683,0.0343346683,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Eu-H-Mg,9.0,A2B6C_hP9_164_d_i_a:Eu-H-Mg +mp-697962,Eu6Mg7H26,-4.6065313523,-0.4794839595,0.0135039431,0.0135039431,GGA,C2/m,A6B26C7_mC78_12_3i_5i4j_ah2i:Eu-H-Mg,39.0,A6B26C7_mC78_12_3i_5i4j_ah2i:Eu-H-Mg +mp-1181729,Eu2Mg3H10,-4.4006842833,-0.45121067,0.0196048953,0.0196048953,GGA,C2/m,A2B10C3_mC60_12_2i_eh4i2j_g2i:Eu-H-Mg,30.0,A2B10C3_mC60_12_2i_eg4i2j_h2i:Eu-H-Mg +mp-1178231,GaHgO2,-4.77582958,-1.4695411275,0.1087312672,0.1087312672,GGA,R-3m,ABC2_hR12_166_a_b_c:Ga-Hg-O,4.0,ABC2_hR12_166_a_b_c:Ga-Hg-O +mp-771978,Ga2HgO4,-5.4218122811,-1.6865798161,0.1171600636,0.1171600636,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ga-Hg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Ga-Hg-O, expected Ga5HgO13 to be Ga2HgO4" +mp-756460,Ga2HgO4,-5.4753585714,-1.7401261064,0.0636137732,0.0636137732,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ga-Hg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Ga-Hg-O, expected Ga5HgO13 to be Ga2HgO4" +mp-755239,Ga2HgO4,-5.5047962457,-1.7695637807,0.0341760989,0.0341760989,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ga-Hg-O,14.0,A2BC4_cF56_227_c_b_e:Ga-Hg-O +mp-1194500,Zr4Os2N,-10.1309399861,-0.8477925139,0.0276155411,0.0276155411,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Os-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Os-Zr +mp-16431,Nd(FeP3)4,-6.6888701847,-0.5942900463,0.0,-0.0131852064,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Nd-P,17.0,A4BC12_cI34_204_c_a_g:Fe-Nd-P +mp-510028,Nd2Fe12P7,-7.7445878195,-0.6460322513,0.0,-0.0226052533,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Nd-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Nd-P +mp-1208952,ScTaN2,-10.5400529362,-1.82424379,0.0,-0.1013301971,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:N-Sc-Ta,8.0,A2BC_hP8_194_f_a_c:N-Sc-Ta +mp-1219257,ScTaN,-9.9865612217,-1.1443140017,0.2511826483,0.2511826483,GGA,P-3m1,ABC_hP6_164_d_ab_d:N-Sc-Ta,6.0,ABC_hP6_164_d_ab_d:N-Sc-Ta +mp-1189312,Sr(NiB)2,-5.211118668,0.110591403,0.4337323554,0.4337323554,GGA,P2/m,A2B2C_mP20_10_2m2n_2m2n_mn:B-Ni-Sr,20.0,A2B2C_mP20_10_2m2n_2m2n_mn:B-Ni-Sr +mp-1238027,Sr(NiB)2,-5.289953206,0.031756865,0.3548978174,0.3548978174,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:B-Ni-Sr,20.0,A2B2C_oP20_58_2g_2g_g:B-Ni-Sr +mp-16830,Sr(Ni2B)6,-6.1931074079,-0.344292448,0.0,-0.0676374225,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Ni-Sr,19.0,"Invalid WP multiplicities - A6B12C_hR57_166_h_4f3h_b:B-Ni-Sr, expected Sr(Ni7B)6 to be Sr(Ni2B)6" +mp-7540,Cu3P,-4.40982208,0.0179085492,0.0599758691,0.0599758691,GGA,P-3m1,A3B_hP8_164_c2d_d:Cu-P,8.0,A3B_hP8_164_c2d_d:Cu-P +mp-359,Cu3P,-4.401284015,0.0264466142,0.0685139341,0.0685139341,GGA,P-3c1,A3B_hP24_165_bdg_f:Cu-P,24.0,A3B_hP24_165_bdg_f:Cu-P +mp-14012,Cu3P,-4.4471039725,-0.0193733433,0.0226939766,0.0226939766,GGA,P-3c1,A3B_hP24_165_adg_f:Cu-P,24.0,A3B_hP24_165_adg_f:Cu-P +mp-7463,Cu3P,-4.4477523467,-0.0200217175,0.0220456024,0.0220456024,GGA,P6_3cm,A3B_hP24_185_ab2c_c:Cu-P,24.0,A3B_hP24_185_ab2c_c:Cu-P +mp-927,CuP2,-5.0874500808,-0.1121795197,0.0,-0.0254581039,GGA,P2_1/c,AB2_mP12_14_e_2e:Cu-P,12.0,AB2_mP12_14_e_2e:Cu-P +mp-606644,CuP10,-5.3373306289,-0.0434913801,0.0,-0.0021016134,GGA,P-1,AB10_aP44_2_2i_20i:Cu-P,44.0,"Invalid WP multiplicities - AB10_aP44_2_2i_39i:Cu-P, expected Cu2P39 to be CuP10" +mp-15986,Hf(CuP)2,-6.411535504,-0.6150940273000001,0.0,-0.060349722,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cu-Hf-P,5.0,A2BC2_hP5_164_d_a_d:Cu-Hf-P +mp-1103352,Hf4CuP,-8.7539625783,-0.5304183622,0.0550924462,0.0550924462,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Cu-Hf-P,12.0,AB4C_tP12_124_a_m_c:Cu-Hf-P +mp-569933,HfCuP,-6.5544637533,-0.0645643511,0.7978451117,0.7978451117,GGA,P3m1,ABC_hP3_156_a_b_a:Cu-Hf-P,3.0,ABC_hP3_156_a_b_a:Cu-Hf-P +mp-28034,Cu2P7,-5.2224561947,-0.1011749851,0.0,-0.0204775294,GGA,C2/m,A2B7_mC72_12_4i_4i5j:Cu-P,36.0,A2B7_mC72_12_4i_4i5j:Cu-P +mp-1190703,TbCrB4,-7.4841351067,-0.6499716644,0.0,-0.0919695246,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Tb +mp-1247260,Ga4Te3N2,-4.599576035,-0.3534325217,0.2580462567,0.2580462567,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ga-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Ga-N-Te +mp-1104965,Y3Ga8Rh3,-5.4049593329,-0.710880395,0.038483869,0.038483869,GGA,Immm,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Y,14.0,A8B3C3_oI28_71_2n_bf_ag:Ga-Rh-Y +mp-1102458,YGaRh,-6.5096572125000005,-0.8900322106,0.0,-0.1139218823,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Rh-Y,12.0,ABC_oP12_62_c_c_c:Ga-Rh-Y +mp-866156,YGaRh2,-6.841803785,-0.7860080660000001,0.0,-0.0078966397,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Y +mp-1207775,Y2(Ga3Rh)3,-5.1619296489,-0.7134489318,0.0,-0.0847099304,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-Y +mp-1183695,CrTcO3,-8.371840446,-1.4010899362,0.6304814391,0.6304814391,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Cr-O-Tc,5.0,AB3C_cP5_221_a_c_b:Cr-O-Tc +mp-631568,AlAgB,-3.5722195633,0.8469549714,0.9112557831,0.9112557831,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Al-B,3.0,ABC_cF12_216_a_c_b:Ag-Al-B +mp-1185745,Mg16UAl12,-2.8188902259,0.0032753179,0.0481127382,0.0481127382,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-U,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-U, expected Mg49UAl39 to be Mg16UAl12" +mp-1185753,Mg16UAl12,-2.8364288372,-0.0142632934,0.0305741268,0.0305741268,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-U,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c5g_a:Al-Mg-U, expected Mg76UAl12 to be Mg16UAl12" +mp-1246458,Zr(GaN)2,-6.914607558,-0.6592310530000001,0.3475549815,0.3475549815,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ga-N-Zr,5.0,A2B2C_hP5_164_d_d_a:Ga-N-Zr +mp-1245440,Zr2GaN3,-8.6395023679,-1.1173386917,0.3416990763,0.3416990763,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Zr,24.0,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Zr +mp-1212338,Ho3CrS6,-6.8474101615,-2.0255128334,0.000734136,0.000734136,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Ho-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Ho-S +mp-1224079,Ho4CrS7,-6.8005367083,-2.0557173735,0.0576200621,0.0576200621,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Ho-S,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Ho-S +mp-1202787,Ho2CrS4,-6.928698227,-1.8767461302,0.0530128883,0.0530128883,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Cr-Ho-S,56.0,AB2C4_oP56_29_2a_4a_8a:Cr-Ho-S +mp-1206699,Si4P4Os,-6.3573642056,-0.2927142526,0.0,-0.0487134476,GGA,P1,AB4C4_aP9_1_a_4a_4a:Os-P-Si,9.0,AB4C4_aP9_1_a_4a_4a:Os-P-Si +mp-19758,Sm3PbC,-3.838206856,1.5812073375,1.9556142915,1.9556142915,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Pb-Sm,5.0,ABC3_cP5_221_a_b_c:C-Pb-Sm +mp-10607,Lu3TlC,-5.558271936,-0.5274398962,0.0,-0.20137922,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Lu-Tl,5.0,AB3C_cP5_221_b_c_a:C-Lu-Tl +mp-20543,Pr3SnC,-4.1027367,1.4134542225,1.823293208,1.823293208,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Pr-Sn,5.0,AB3C_cP5_221_a_c_b:C-Pr-Sn +mp-1093584,CrReW2,-6.99666233,5.0067964488,5.0067964488,5.0067964488,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Re-W,4.0,ABC2_oI8_71_a_b_e:Cr-Re-W +mp-1095835,Cr2ReW,-6.6532041125,4.5239839763,4.5239839763,4.5239839763,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Re-W,4.0,A2BC_oI8_71_e_a_b:Cr-Re-W +mp-1190031,TmMoC2,-8.7314764344,-0.2867723048,0.0547974784,0.0547974784,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mo-Tm,16.0,A2BC_oP16_62_2c_c_c:C-Mo-Tm +mp-1025369,Tm2Mo2C3,-8.7230751157,-0.3903654665,0.0,-0.1230676233,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-Tm,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-Tm +mp-1077928,Tm2Mo2C3,-8.6875233214,-0.3548136723,0.0355517943,-0.087515829,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-Tm,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-Tm +mp-1105727,Tb6IrI10,-4.5601076806,-1.5378550759,0.0,-0.0720156146,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Ir-Tb,17.0,A10BC6_aP17_2_5i_a_3i:I-Ir-Tb +mp-978975,TbYTl2,-4.32064633,-0.3641154533,0.0,-0.0063831475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tb-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Tb-Tl-Y +mp-1219854,PuUSn6,-6.202216555,-0.0001316213,0.2120029494,0.2120029494,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Pu-Sn-U,8.0,AB6C_tP8_123_a_cdi_b:Pu-Sn-U +mp-17160,DyPtF7,-5.5957835367,-2.9226420997,0.0,-0.0645117631,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Dy-F-Pt,36.0,AB7C_mP36_14_e_7e_e:Dy-F-Pt +mp-1077911,UGa5Os,-5.65841225,-0.2785183139,0.0,-0.0333365806,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Os-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Os-U +mp-17446,PrPtF7,-5.6012920236,-2.9088040406,0.0,-0.0755841081,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Pr-Pt,36.0,A7BC_mP36_14_7e_e_e:F-Pr-Pt +mp-1227655,Ce2VCo16,-7.1875204213,-0.0989325739,0.0206955466,0.0206955466,GGA,P-3m1,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-V,38.0,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-V +mp-1188470,Nd5Ge3C,-5.8117530428,-0.5963656850000001,0.0482150798,0.0482150798,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Nd,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Nd +mp-1197766,Nd15Ge9C,-5.5790053128,-0.6846802058,0.0,-0.0039394619,GGA,P6_3mc,AB9C15_hP50_186_b_3c_3cd:C-Ge-Nd,50.0,AB9C15_hP50_186_b_3c_3cd:C-Ge-Nd +mp-1213810,CeLuO3,-8.9494973105,-3.8906761487,0.0570241828,0.0570241828,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ce-Lu-O,20.0,ABC3_oP20_62_c_a_cd:Ce-Lu-O +mp-1093580,Li2YIn,-1.5648772750000002,1.6941228692,2.0030910825,1.9737713392,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Y,4.0,AB2C_oI8_71_a_e_b:In-Li-Y +mp-1185233,Li2YIn,-3.5679683575,-0.3089682133,0.0,-0.0293197433,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Y,4.0,AB2C_cF16_225_a_c_b:In-Li-Y +mp-1096532,LiY2In,-2.276915555,2.1214716508,2.4210125317,2.4210125317,GGA,Immm,ABC2_oI8_71_a_b_e:In-Li-Y,4.0,ABC2_oI8_71_a_b_e:In-Li-Y +mp-1096087,LiYIn2,-1.9221360225,1.5475543375,1.9662978259,1.9662978259,GGA,Immm,A2BC_oI8_71_e_a_b:In-Li-Y,4.0,A2BC_oI8_71_e_a_b:In-Li-Y +mp-638690,Li2Y5In9,-4.2659225283,-0.4587128489,0.0,-0.0135621783,GGA,P4/nmm,A9B2C5_tP64_129_2c4i_2f_2c2j:In-Li-Y,64.0,"Invalid WP multiplicities - A9B2C5_tP64_129_4c24i_3f_4c15j:In-Li-Y, expected Li3(Y16In25)2 to be Li2Y5In9" +mp-1207495,Zr6GeI14,-4.8982515314,-1.2536629345,0.0,-0.0187722326,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:Ge-I-Zr,42.0,AB14C6_oC84_64_a_def2g_fg:Ge-I-Zr +mp-570692,In5B4Ir9,-6.8830632944,-0.2151803304,0.0,-0.0586468595,GGA,P-62m,A4B5C9_hP18_189_h_ade_fi:B-In-Ir,18.0,"Invalid WP multiplicities - A4B5C9_hP18_189_h_a2de_2f3i:B-In-Ir, expected In7(BIr6)4 to be In5B4Ir9" +mp-756762,TbTmO3,-8.7492180945,-3.9591645631,0.0797585176,0.0797585176,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Tb-Tm,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Tb-Tm, expected TbTmO7 to be TbTmO3" +mp-1226734,CeEuB12,-7.42568759,-0.5440595754,0.0,-0.04806351,GGA,P4/mmm,A12BC_tP14_123_iq_a_c:B-Ce-Eu,14.0,"Invalid WP multiplicities - A12BC_tP14_123_2iq_a_c:B-Ce-Eu, expected CeEuB16 to be CeEuB12" +mp-30883,V4Zn5,-4.7835396167,-0.0463904689,0.0,-0.0079597763,GGA,I4/mmm,A4B5_tI18_139_i_ah:V-Zn,9.0,A4B5_tI18_139_i_ah:V-Zn +mp-865486,VZnRu2,-7.4427650875,-0.2196513975,0.0,-0.0520163492,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-V-Zn,4.0,A2BC_cF16_225_c_a_b:Ru-V-Zn +mp-11578,VZn3,-3.26766566,-0.051881435,0.0,-0.0257867962,GGA,Pm-3m,AB3_cP4_221_a_c:V-Zn,4.0,AB3_cP4_221_a_c:V-Zn +mp-1226547,CeThB8,-7.327861812,-0.6496536548,0.0,-0.0250447405,GGA,Cmmm,A8BC_oC40_65_gim2p_h_j:B-Ce-Th,20.0,"Invalid WP multiplicities - A8BC_oC40_65_gim3p_h_j:B-Ce-Th, expected CeThB10 to be CeThB8" +mp-1226486,CeThB12,-7.1833848143,-0.5048384818,0.0,-0.0026749086,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Ce-Th,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Ce-Th, expected CeThB32 to be CeThB12" +mp-5979,Mn3(P3Pd10)2,-6.0760608334,-0.4359402432,0.0021799818,0.0021799818,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Mn-P-Pd,29.0,"Invalid WP multiplicities - A3B6C20_cF116_225_ac_e_3f3h:Mn-P-Pd, expected Mn(PPd10)2 to be Mn3(P3Pd10)2" +mp-1206331,MnPPd,-6.9511940211,-0.3661274849,0.1551167466,0.1551167466,GGA,P-62m,ABC_hP9_189_f_ad_g:Mn-P-Pd,9.0,ABC_hP9_189_f_ad_g:Mn-P-Pd +mp-1225365,Eu2BPd6,-7.0822892244,-0.6075463099,0.0,-0.0395004289,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:B-Eu-Pd,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:B-Eu-Pd, expected Eu2BPd10 to be Eu2BPd6" +mp-1225374,Eu4BPd12,-7.0352629153,-0.5725581688,0.0099521156,0.0099521156,GGA,P4/mmm,AB4C12_tP17_123_a_2h_ef2gi:B-Eu-Pd,17.0,"Invalid WP multiplicities - AB4C12_tP17_123_a_2h_2e2f2g4i:B-Eu-Pd, expected Eu4BPd28 to be Eu4BPd12" +mp-20040,EuBPd3,-7.003303978,-0.5080961778,0.0643879553,0.0643879553,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Eu-Pd,5.0,ABC3_cP5_221_b_a_c:B-Eu-Pd +mp-1217140,Ti3(SeS2)2,-6.7964840367,-1.5493619841,0.0029420767,0.0029420767,GGA,P3m1,A4B2C3_hP9_156_a3b_2a_3c:S-Se-Ti,9.0,A4B2C3_hP9_156_a3b_2a_3c:S-Se-Ti +mp-1216698,TiSeS,-6.7003343067,-1.5243831863,0.0,-0.0057754575,GGA,P3m1,ABC_hP3_156_a_b_c:S-Se-Ti,3.0,ABC_hP3_156_a_b_c:S-Se-Ti +mp-865592,Y2ZnRu,-6.22570871,-0.3589366158,0.0,-0.0140797189,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Ru-Y-Zn +mp-640315,Y(Zn10Ru)2,-2.3809280835,-0.1978781533,0.0,-0.0102316817,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Ru-Y-Zn,46.0,"Invalid WP multiplicities - A2BC20_cF184_227_d_a_4c9f9g:Ru-Y-Zn, expected Y(Zn85Ru)2 to be Y(Zn10Ru)2" +mp-1245572,Cr2AgN3,-8.0186283961,-0.1606057764,0.3004187019,0.3004187019,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-Cr-N,18.0,AB2C3_hP18_152_a_c_bc:Ag-Cr-N +mp-1204963,Pr(Al10V)2,-4.4517656946,-0.1969728904,0.0,-0.0200004424,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Pr-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-Pr-V +mp-1196123,Nd2HfS5,-7.2309762875,-2.2090096338,0.0,-0.0161730022,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Hf-Nd-S,32.0,AB2C5_oP32_62_c_d_3cd:Hf-Nd-S +mp-1205150,Dy4Bi2S9,-5.978144384,-1.7557327559,0.0456107167,0.0456107167,GGA,Pnma,A2B4C9_oP60_62_2c_4c_9c:Bi-Dy-S,60.0,A2B4C9_oP60_62_2c_4c_9c:Bi-Dy-S +mp-37199,Ce(NdS2)2,-6.8786260329,-2.3050283918,0.0378537489,0.0378537489,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ce-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Ce-Nd-S +mp-1226502,CeNdS2,-7.033984985,-2.2904509047,0.0,-0.00397539,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Nd-S,4.0,ABC2_hR12_166_a_b_c:Ce-Nd-S +mp-10136,Ti2ReB2,-9.150482672,-0.8316237200000001,0.0,-0.039047122,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Re-Ti,10.0,A2BC2_tP10_127_g_a_h:B-Re-Ti +mp-1219136,Sm3DyS4,-6.6739948563,-2.2604517672,0.0056602663,0.0056602663,GGA,Pmmm,AB4C3_oP8_47_a_cdk_bl:Dy-S-Sm,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_cd2k_b2l:Dy-S-Sm, expected Sm5DyS6 to be Sm3DyS4" +mp-34987,Sm(DyS2)2,-6.6316676914,-2.2776735082,0.0699626826,0.0699626826,GGA,I-42d,A2B4C_tI28_122_d_e_a:Dy-S-Sm,14.0,A2B4C_tI28_122_d_e_a:Dy-S-Sm +mp-19958,Gd3PbC,-9.50724281,1.5266930465000002,1.9362228935,1.9362228935,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Gd-Pb,5.0,AB3C_cP5_221_a_c_b:C-Gd-Pb +mp-1104381,Ni(RhS2)2,-6.03193081,-0.7384233975000001,0.0,-0.0078203929,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ni-Rh-S,14.0,AB2C4_cF56_227_a_d_e:Ni-Rh-S +mp-675691,Ni2RhS4,-5.7684235157,-0.7012262732,0.0,-0.0024830721,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Ni-Rh-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Ni-Rh-S, expected Ni2RhS10 to be Ni2RhS4" +mp-21076,EuRh3C,-8.526183846,-0.2104656655,0.0608938165,0.0608938165,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Eu-Rh,5.0,ABC3_cP5_221_b_a_c:C-Eu-Rh +mp-20159,Ce3SnC,-4.591966948,1.6155340145,2.0079270477,2.0079270477,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ce-Sn,5.0,AB3C_cP5_221_a_c_b:C-Ce-Sn +mp-16290,ZnNi3C,-5.625223294,-0.0594594655,0.0425287485,0.0425287485,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ni-Zn,5.0,AB3C_cP5_221_b_c_a:C-Ni-Zn +mp-1095975,LaYPd2,-4.0604623975,1.3800980621,2.2511916062,2.2511916062,GGA,Immm,AB2C_oI8_71_a_e_b:La-Pd-Y,4.0,AB2C_oI8_71_a_e_b:La-Pd-Y +mp-1562,ThBe13,-4.1589127575,-0.1570395079,0.0,-0.1570395079,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Th,28.0,A13B_cF112_226_bi_a:Be-Th +mp-1217315,ThUBe26,-4.24568949,-0.1053322489,0.0023601071,0.0023601071,GGA,F432,A26BC_cF112_209_cj_a_b:Be-Th-U,28.0,A26BC_cF112_209_cj_a_b:Be-Th-U +mp-979009,Th3Be,-6.203816615,0.2914302887,0.3337101562,0.3337101562,GGA,Pm-3m,AB3_cP4_221_a_c:Be-Th,4.0,AB3_cP4_221_a_c:Be-Th +mp-1105593,Y6PdBr10,-5.4615959553,-1.9610670265,0.0153891362,0.0153891362,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Pd-Y,17.0,A10BC6_aP17_2_5i_a_3i:Br-Pd-Y +mp-1097446,Y2TcPd,-4.811303245,2.3070625004,2.8329886964,2.8329886964,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Tc-Y,4.0,ABC2_oI8_71_a_b_e:Pd-Tc-Y +mp-1097277,YScCu2,-2.9727295875,2.2766088021,2.5462875350000003,2.5462875350000003,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Cu-Sc-Y +mp-1245418,CdSnN2,-5.3449652169,0.0563976494,0.0563976494,0.0563976494,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Cd-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Cd-N-Sn +mp-1246165,Cd4SnN4,-4.2490128239,0.3117772422,0.3117772422,0.3117772422,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Cd-N-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Cd-N-Sn +mp-1246263,Cd7SnN6,-3.9322187309,0.388407678,0.388407678,0.388407678,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Cd-N-Sn,56.0,A7B6C_oP56_60_c3d_3d_c:Cd-N-Sn +mp-29201,TbCd2F8,-4.9310999709,-2.9518293018,0.0258942507,0.0258942507,GGA,I-4,A2B8C_tI22_82_e_2g_a:Cd-F-Tb,11.0,"Invalid WP multiplicities - A2B8C_tI22_82_e_3g_a:Cd-F-Tb, expected TbCd2F12 to be TbCd2F8" +mp-22690,TbCdF6,-5.2418624319,-3.1135962238,0.0505056841,0.0505056841,GGA,P4_2/m,AB6C_tP16_84_a_jk_f:Cd-F-Tb,16.0,AB6C_tP16_84_a_jk_f:Cd-F-Tb +mp-1187505,YbYHg2,-2.7303350725,-0.5769750417,6.20075e-05,6.20075e-05,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Y-Yb,,A2BC_cF16_225_c_a_b:Hg-Y-Yb +mp-1097353,YBiAu2,-3.031763435,1.1819176258,1.828047595,1.828047595,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Bi-Y,4.0,A2BC_oI8_71_e_a_b:Au-Bi-Y +mp-1186929,PrYIn2,-4.040943445,0.1467426371,0.6368378925,0.6368378925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Pr-Y,4.0,A2BC_cF16_225_c_a_b:In-Pr-Y +mp-961717,VInPt,-5.8397449033,0.1291628033,0.5966628533,0.5966628533,GGA,F-43m,ABC_cF12_216_a_b_c:In-Pt-V,3.0,ABC_cF12_216_a_b_c:In-Pt-V +mp-1215857,Yb(YSe2)2,-6.2730546771,-2.2078837604,0.0121395171,0.0121395171,GGA,P2/m,A4B2C_mP7_10_mn_bd_c:Se-Y-Yb,,"Invalid WP multiplicities - A4B2C_mP7_10_2m2n_ce_b:Se-Y-Yb, expected Yb(YSe4)2 to be Yb(YSe2)2" +mp-1193988,Yb(YSe2)2,-6.2768808207,-2.211709904,0.0083133736,0.0083133736,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:Se-Y-Yb,,A4B2C_oP28_62_4c_2c_c:Se-Y-Yb +mp-1097291,Y2GaHg,-2.2144313325,1.851748321,2.4438740613,2.4438740613,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Ga-Hg-Y +mp-1226477,Co5Sb15I,-5.0035211961,-0.2916176758,0.0611434168,0.0611434168,GGA,C2/m,A5BC15_mC168_12_ef4j_2i_10i10j:Co-I-Sb,84.0,"Invalid WP multiplicities - A5BC15_mC168_12_2e2f12j_3i_20i40j:Co-I-Sb, expected Co28Sb100I3 to be Co5Sb15I" +mp-631305,Ga2WSe,-4.9858580775,0.6417003607,1.0553980206,1.0553980206,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Se-W,4.0,A2BC_cF16_225_c_a_b:Ga-Se-W +mp-1225467,Ga2(WSe2)3,-6.5934391205,-0.601979884,0.1746428577,0.1746428577,GGA,P3m1,A2B6C3_hP22_156_3ab_6a6b_3a3b:Ga-Se-W,22.0,A2B6C3_hP22_156_3ab_6a6b_3a3b:Ga-Se-W +mp-771827,Ca3Pb3I14,-3.1466555475,-1.25756206,0.0502642705,0.0502642705,GGA,P2_1/m,A3B14C3_mP40_11_3e_14e_3e:Ca-I-Pb,40.0,"Invalid WP multiplicities - A3B14C3_mP40_11_5e_27e_5e:Ca-I-Pb, expected Ca5Pb5I27 to be Ca3Pb3I14" +mp-771877,Ca3Pb3I14,-3.133040843,-1.2439473555,0.063878975,0.063878975,GGA,P2_1/m,A3B14C3_mP40_11_3e_14e_3e:Ca-I-Pb,40.0,"Invalid WP multiplicities - A3B14C3_mP40_11_5e_27e_5e:Ca-I-Pb, expected Ca5Pb5I27 to be Ca3Pb3I14" +mp-754540,CaPbI4,-3.3760886233000003,-1.4408032317,0.0007066629,0.0007066629,GGA,P2/m,AB4C_mP6_10_b_mn_c:Ca-I-Pb,6.0,"Invalid WP multiplicities - AB4C_mP6_10_b_2mn_c:Ca-I-Pb, expected CaPbI6 to be CaPbI4" +mp-753670,CaPbI4,-3.37647832,-1.4411929283,0.0003169662,0.0003169662,GGA,C2/m,AB4C_mC12_12_a_2i_d:Ca-I-Pb,6.0,"Invalid WP multiplicities - AB4C_mC12_12_a_4i_c:Ca-I-Pb, expected CaPbI8 to be CaPbI4" +mp-755943,CaPbI4,-3.2865608279,-1.3512754362,0.0902344583,0.0902344583,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Pb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_7e_e:Ca-I-Pb, expected CaPbI7 to be CaPbI4" +mp-755977,CaPbI4,-3.3269413742,-1.3916559825,0.0498539121,0.0498539121,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Pb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Ca-I-Pb, expected CaPbI15 to be CaPbI4" +mp-756136,CaPbI4,-3.2925333958,-1.3572480042,0.0842618904,0.0842618904,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Pb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ca-I-Pb, expected CaPbI11 to be CaPbI4" +mp-756313,CaPbI4,-3.2778597229,-1.3425743312,0.0989355633,0.0989355633,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Pb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_7e_e:Ca-I-Pb, expected CaPbI7 to be CaPbI4" +mp-756451,CaPbI4,-3.3758196462,-1.4405342546,0.00097564,0.00097564,GGA,Pmn2_1,AB4C_oP24_31_2a_8a_2a:Ca-I-Pb,24.0,"Invalid WP multiplicities - AB4C_oP24_31_4a_15a_4a:Ca-I-Pb, expected Ca4Pb4I15 to be CaPbI4" +mp-755056,CaPbI4,-3.326556195,-1.3912708033,0.0502390913,0.0502390913,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Ca-I-Pb,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2gj_c:Ca-I-Pb, expected CaPbI6 to be CaPbI4" +mp-771814,CaPbI6,-2.9271066156,-1.1073009844,0.0,-0.0261685634,GGA,Fdd2,AB6C_oF128_43_b_6b_b:Ca-I-Pb,32.0,"Invalid WP multiplicities - AB6C_oF128_43_b_22b_b:Ca-I-Pb, expected CaPbI22 to be CaPbI6" +mp-1221782,Mn4VSe5,-6.916716365,-0.5955639023,0.0725744524,0.0725744524,GGA,R-3m,A4B5C_hR30_166_2c_a2c_b:Mn-Se-V,10.0,"Invalid WP multiplicities - A4B5C_hR30_166_3c_a4c_b:Mn-Se-V, expected Mn6VSe9 to be Mn4VSe5" +mp-17043,Tm2ZnS4,-5.8084068575,-1.9859477255,0.0163938542,0.0163938542,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:S-Tm-Zn,28.0,A4B2C_oP28_62_2cd_ac_c:S-Tm-Zn +mp-1228304,Al5BiN4,-6.704658115,-1.113223317,0.154294287,0.154294287,GGA,R3m,A5BC4_hR30_160_5a_a_4a:Al-Bi-N,10.0,A5BC4_hR30_160_5a_a_4a:Al-Bi-N +mp-1245799,AlBiN2,-6.5713958863,-0.5066321837000001,0.2855663187,0.2855663187,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Bi-N,16.0,ABC2_oP16_33_a_a_2a:Al-Bi-N +mp-1245430,AlBiN2,-6.5118833192,-0.4471196167,0.3450788858,0.3450788858,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-Bi-N,64.0,ABC2_oP64_61_2c_2c_4c:Al-Bi-N +mp-17525,Nb5Pt3O,-9.0966895694,-0.9115102504,0.0218656571,0.0218656571,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Nb-O-Pt,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d2g_b_g:Nb-O-Pt, expected Nb10Pt3O to be Nb5Pt3O" +mp-1194289,Ga2(Co7B2)3,-6.9382963576000005,-0.2001164829,0.0051574088,0.0051574088,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Ga,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Ga +mp-1194164,In2(Co7B2)3,-6.8569019866000005,-0.1377850286,0.0298047768,0.0298047768,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-In,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-In +mp-1193971,In3(Co10B3)2,-6.6804781052,-0.1115899081,0.0566063198,0.0566063198,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Co-In,29.0,A6B20C3_cF116_225_e_fh_ac:B-Co-In +mp-1194097,In(Co11B3)2,-6.9748792359,-0.1055335171,0.0614498659,0.0614498659,GGA,Fm-3m,A6B22C_cF116_225_e_cfh_a:B-Co-In,29.0,A6B22C_cF116_225_e_cfh_a:B-Co-In +mp-1218985,SmGdB12,-7.5251681229,-0.4574960068,0.0,-0.0016862271,GGA,P4/mmm,A12BC_tP14_123_iq_a_c:B-Gd-Sm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_2iq_a_c:B-Gd-Sm, expected SmGdB16 to be SmGdB12" +mp-1207810,Y4MgPt,-6.1056878492,-0.5161382119,0.0,-0.0092220304,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Pt-Y,24.0,ABC4_cF96_216_e_e_efg:Mg-Pt-Y +mp-1095896,YMgPt2,-3.97243271,1.0798217408,2.0660759056,2.0660759056,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pt-Y,4.0,AB2C_oI8_71_a_e_b:Mg-Pt-Y +mp-20704,U(MnAl2)4,-6.2272424454,-0.2346210747,0.0223145867,0.0223145867,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-U,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_3i4j_f_a:Al-Mn-U, expected U(MnAl7)4 to be U(MnAl2)4" +mp-1216953,UMnAl,-8.1415863575,-0.0752526468,0.1062711825,0.1062711825,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Mn-U,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Mn-U, expected U3(MnAl)2 to be UMnAl" +mp-1216999,UMnAl,-8.1531407825,-0.0868070718,0.0947167575,0.0947167575,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Mn-U,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Mn-U, expected U3(MnAl)2 to be UMnAl" +mp-1216712,UMnAl,-8.2132295267,-0.146895816,0.0346280133,0.0346280133,GGA,Imma,ABC_oI12_74_a_c_e:Al-Mn-U,6.0,ABC_oI12_74_a_c_e:Al-Mn-U +mp-1216810,U2MnAl3,-7.285024755,-0.1214309547,0.0688545179,0.0688545179,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Mn-U,6.0,A3BC2_hR18_166_d_a_c:Al-Mn-U +mp-1216854,UMn5Al7,-6.6017152631,-0.1924447031,0.062939819,0.062939819,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Mn-U,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Mn-U +mp-531811,Ho2CdS4,-5.7000468931,-1.8952601835,0.0595322754,0.0503706459,GGA,Cm,AB2C4_mC140_8_10a_10a5b_20a10b:Cd-Ho-S,70.0,"Invalid WP multiplicities - AB2C4_mC140_8_10a_10a7b_20a20b:Cd-Ho-S, expected Ho12(CdS6)5 to be Ho2CdS4" +mp-1224073,Ho2CdS4,-5.6164021464000005,-1.8116154368,0.1431770221,0.1340153926,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Cd-Ho-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h2i:Cd-Ho-S, expected Ho2CdS8 to be Ho2CdS4" +mp-34735,Ho2CdS4,-5.6291154486,-1.8243287389,0.13046372,0.1213020905,GGA,I-4m2,AB2C4_tI14_119_a_bc_ef:Cd-Ho-S,7.0,AB2C4_tI14_119_a_bc_ef:Cd-Ho-S +mp-6942,Ho2CdS4,-5.7595791686,-1.9547924589,0.0,-0.0091616295,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Ho-S,14.0,AB2C4_cF56_227_a_d_e:Cd-Ho-S +mp-1223995,Ho4CdS7,-6.0933337217,-2.0760275293,0.0519127465,0.0519127465,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cd-Ho-S,12.0,AB4C7_mC24_8_a_4a_7a:Cd-Ho-S +mp-675406,Yb(HoS2)2,-6.2830748886,-2.3901855332,0.0167821812,0.0167821812,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ho-S-Yb,,A2B4C_tI28_122_d_e_a:Ho-S-Yb +mp-1245610,Si3Sb5N9,-6.75046368,-0.1652039968,0.3699224547,0.3699224547,GGA,Cmce,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Sb-Si,68.0,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Sb-Si +mp-1247016,Si6Sb3N11,-7.503520828,-0.6715030243,0.2382119433,0.2382119433,GGA,P4bm,A11B3C6_tP40_100_bc2d_ac_cd:N-Sb-Si,40.0,A11B3C6_tP40_100_bc2d_ac_cd:N-Sb-Si +mp-1232266,Tm2MgS4,-5.8546599396,-1.9835527448,0.1988747111,0.1943379398,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Tm,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-S-Tm +mp-1232265,Tm2MgS4,-6.0255638429,-2.154456648,0.0279708079,0.0234340366,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Tm,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-S-Tm +mp-1232262,Tm2MgS4,-5.9856956793,-2.1145884844,0.0678389714,0.0633022002,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Mg-S-Tm +mp-1232263,Tm2MgS4,-6.0266216171,-2.1555144223,0.0269130336,0.0223762623,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Tm,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-S-Tm +mp-1232322,Tm2MgS4,-5.7925314296,-1.9214242348,0.2610032211,0.2564664498,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Tm,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-S-Tm +mp-34116,Tm2MgS4,-5.95308874,-2.0819815451,0.1004459107,0.0959091395,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Tm,14.0,AB4C2_tI28_122_a_e_d:Mg-S-Tm +mp-1232279,Tm2MgS4,-6.0535346507,-2.1824274558,0.0,-0.0045367713,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Tm,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Tm +mp-1216547,Tm4MgS7,-6.2674838958,-2.2292529949,0.0346737068,0.0346737068,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Mg-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Mg-S-Tm +mp-1232191,TmMgS3,-5.2532537855,-1.5561607707,0.3261307936,0.3261307936,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Tm,20.0,AB3C_mC20_12_g_ij_i:Mg-S-Tm +mp-1238772,TmMgS3,-5.217558768,-1.5204657532,0.3618258111,0.3618258111,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Tm,10.0,AB3C_mC20_12_g_ij_i:Mg-S-Tm +mp-1232251,TmMgS3,-5.3431820423,-1.6460890275,0.2362025368,0.2362025368,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-S-Tm,30.0,AB3C_hR30_148_c_f_c:Mg-S-Tm +mp-7166,Pr3TlC,-3.595997522,1.5908076588,1.808493323,1.808493323,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Pr-Tl,5.0,AB3C_cP5_221_a_c_b:C-Pr-Tl +mp-1212744,HoBi2C,-4.5970976253,0.7759155303,1.2018769428,1.2018769428,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Ho,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Ho +mp-1239078,HoBi2C,-4.6933116991,0.6797014566,1.1056628691,1.1056628691,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Ho,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Ho +mp-505824,Cs2PdC2,-5.04029941,0.0453040978,0.0651569107,0.0651569107,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-Cs-Pd,5.0,A2B2C_hP5_164_c_d_a:C-Cs-Pd +mp-1095885,LiY2Tc,-3.917453485,2.3831725246,2.4494415535,2.4494415535,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Tc-Y,4.0,ABC2_oI8_71_a_b_e:Li-Tc-Y +mp-1093858,Nb2VTc,-5.80114018,4.1106485937,4.29685082,4.29685082,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Tc-V,4.0,A2BC_oI8_71_e_a_b:Nb-Tc-V +mp-1096006,NbVTc2,-6.174020465,3.802601785,4.0535689925,4.0535689925,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Tc-V,4.0,AB2C_oI8_71_a_e_b:Nb-Tc-V +mp-1188090,Eu5Sn3H,-8.0993796222,-0.6875517767,0.0,-0.0200174631,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Eu-H-Sn,18.0,A5BC3_tI36_140_cl_b_ah:Eu-H-Sn +mp-1096014,Y2HgRu,-3.73082026,1.8969360229,2.3164561666,2.3164561666,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Ru-Y +mp-12890,HfU3Sb5,-7.6712978461,-0.507250595,0.0,-0.0694701711,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Hf-Sb-U,18.0,AB5C3_hP18_193_b_dg_g:Hf-Sb-U +mp-1211599,KDyBr3,-3.9942476695,-1.9189935141,0.1445088278,0.1445088278,GGA,Pnma,A3BC_oP20_62_cd_a_c:Br-Dy-K,20.0,A3BC_oP20_62_cd_a_c:Br-Dy-K +mp-1184900,K3Dy,-1.395899095,0.5885968252,0.5885968252,0.5885968252,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-K,4.0,AB3_tI8_139_a_bd:Dy-K +mp-1184902,K3Dy,-1.4026403588,0.5818555615000001,0.5818555615000001,0.5818555615000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-K,8.0,AB3_hP8_194_c_h:Dy-K +mp-1184884,K3Dy,-1.38903492,0.5954610002,0.5954610002,0.5954610002,GGA,Fm-3m,AB3_cF16_225_a_bc:Dy-K,4.0,AB3_cF16_225_a_bc:Dy-K +mp-979424,YErIn2,-4.5950035025,-0.4606141567,0.0,-0.0035254875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-In-Y,4.0,AB2C_cF16_225_a_c_b:Er-In-Y +mp-978833,SmYIn2,-4.6613832925,-0.4892771154,0.0,-0.000839485,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Sm-Y,4.0,A2BC_cF16_225_c_a_b:In-Sm-Y +mp-1225192,GdFe11W,-9.2395905669,0.0069083392,0.0302100667,0.0302100667,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Gd-W,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Gd-W +mp-1245910,TeO,-4.353379095,-0.3083817927,0.8132813411,0.8132813411,GGA,P6_3/mmc,AB_hP4_194_a_c:O-Te,4.0,AB_hP4_194_a_c:O-Te +mp-1101301,TeO3,-5.8384783712,-1.3426353645,0.0,-0.1012055911,GGA,C2/m,A3B_mC16_12_ij_g:O-Te,8.0,"Invalid WP multiplicities - A3B_mC16_12_2i2j_g:O-Te, expected TeO6 to be TeO3" +mp-1179088,TeO3,-4.5333411725,-0.0374981657,1.3051371987,1.2039316077,GGA,C2/c,A3B_mC16_15_ef_a:O-Te,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_a:O-Te, expected TeO8 to be TeO3" +mp-1178977,TeO3,-5.7796422225,-1.2837992157,0.0588361488,-0.0423694423,GGA,Pna2_1,A3B_oP32_33_6a_2a:O-Te,32.0,A3B_oP32_33_6a_2a:O-Te +mp-1179069,TeO3,-5.5218685934,-1.0260255867,0.3166097778,0.2154041867,GGA,Pna2_1,A3B_oP32_33_6a_2a:O-Te,32.0,A3B_oP32_33_6a_2a:O-Te +mp-754658,TeO3,-5.8173513344,-1.3215083276,0.0211270369,-0.0800785542,GGA,Pnna,A3B_oP16_52_de_c:O-Te,16.0,"Invalid WP multiplicities - A3B_oP16_52_3d2e_c:O-Te, expected TeO7 to be TeO3" +mp-1403480,TeO3,-5.8050633656,-1.3092203589,0.0334150056,-0.0677905855,GGA,Pnma,A3B_oP16_62_cd_a:O-Te,16.0,A3B_oP16_62_cd_a:O-Te +mp-2552,TeO3,-5.8183568187,-1.322513812,0.0201215525,-0.0810840386,GGA,R-3c,A3B_hR24_167_e_b:O-Te,8.0,A3B_hR24_167_e_b:O-Te +mp-1337236,TeO3,-5.1409366108,-0.6450936041,0.6975417604,0.5963361693,GGA,P6_3cm,A3B_hP24_185_ab2c_c:O-Te,24.0,A3B_hP24_185_ab2c_c:O-Te +mp-1400848,TeO3,-5.13999338,-0.6441503732,0.6984849912000001,0.5972794002,GGA,P6_3/mmc,A3B_hP8_194_bf_c:O-Te,8.0,A3B_hP8_194_bf_c:O-Te +mp-1178936,TeO6,-4.5609605814,0.128102013,0.8953222213,0.8953222213,GGA,Fm-3m,A6B_cF28_225_e_a:O-Te,7.0,A6B_cF28_225_e_a:O-Te +mp-1201116,TeO6,-4.696627005,-0.0075644106,0.7596557977,0.7596557977,GGA,Fd-3c,A6B_cF224_228_h_c:O-Te,56.0,A6B_cF224_228_h_c:O-Te +mp-1407692,TeIrO6,-6.3262652013,-1.1185311586,0.0443624175,0.0443624175,GGA,P2_1/c,AB6C_mP16_14_a_3e_d:Ir-O-Te,16.0,"Invalid WP multiplicities - AB6C_mP16_14_a_10e_b:Ir-O-Te, expected TeIrO20 to be TeIrO6" +mp-27127,Te4O9,-5.8449642954000005,-1.4531626050000002,0.0010484148,0.0010484148,GGA,R-3,A9B4_hR78_148_3f_cf:O-Te,26.0,"Invalid WP multiplicities - A9B4_hR78_148_4f_cf:O-Te, expected TeO3 to be Te4O9" +mp-1190021,TeO2,-5.8171216933,-1.4715605881,0.0239902571,-0.0722188202,GGA,P-1,A2B_aP18_2_6i_3i:O-Te,18.0,A2B_aP18_2_6i_3i:O-Te +mp-1103475,TeO2,-5.6768386442,-1.3312775389,0.1642733063,0.0680642289,GGA,P2_1/m,A2B_mP12_11_4e_2e:O-Te,12.0,A2B_mP12_11_4e_2e:O-Te +mp-8377,TeO2,-5.8297825942,-1.4842214889,0.0113293563,-0.0848797211,GGA,P2_12_12_1,A2B_oP12_19_2a_a:O-Te,12.0,A2B_oP12_19_2a_a:O-Te +mp-561224,TeO2,-5.8285454617,-1.4829843564,0.0125664888,-0.0836425886,GGA,P2_12_12_1,A2B_oP12_19_2a_a:O-Te,12.0,"Invalid WP multiplicities - A2B_oP12_19_4a_a:O-Te, expected TeO4 to be TeO2" +mp-2125,TeO2,-5.8411119504,-1.4955508451,0.0,-0.0962090773,GGA,Pbca,A2B_oP24_61_2c_c:O-Te,24.0,A2B_oP24_61_2c_c:O-Te +mp-1102087,TeO2,-5.722869445,-1.3773083397,0.1182425054,0.0220334281,GGA,Pnma,A2B_oP12_62_2c_c:O-Te,12.0,A2B_oP12_62_2c_c:O-Te +mp-1077823,TeO2,-5.2667577083,-0.9211966031,0.5743542421,0.4781451648,GGA,Cmcm,A2B_oC12_63_2c_c:O-Te,6.0,A2B_oC12_63_2c_c:O-Te +mp-557,TeO2,-5.8300167667,-1.4844556614,0.0110951838,-0.0851138936,GGA,P4_12_12,A2B_tP12_92_b_a:O-Te,12.0,A2B_tP12_92_b_a:O-Te +mp-2739,TeO2,-5.8300350292,-1.4844739239,0.0110769213,-0.0851321561,GGA,P4_32_12,A2B_tP12_96_b_a:O-Te,12.0,A2B_tP12_96_b_a:O-Te +mp-2237,TeO2,-5.6159545867,-1.2703934814,0.2251573638,0.1289482864,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Te,6.0,A2B_tP6_136_f_a:O-Te +mp-12177,Te2O5,-5.8502133614,-1.4187768839,0.0,-0.0077198943,GGA,P2_1,A5B2_mP14_4_5a_2a:O-Te,14.0,A5B2_mP14_4_5a_2a:O-Te +mp-1178951,TeO4,-5.223321801,-0.6373096533,0.4367986382,0.4367986382,GGA,P2_1/c,A4B_mP10_14_2e_a:O-Te,10.0,A4B_mP10_14_2e_a:O-Te +mp-756048,TbErO3,-8.7410922665,-3.9326620578,0.0884384084,0.0884384084,GGA,Pnma,AB3C_oP20_62_a_cd_c:Er-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Er-O-Tb, expected TbErO7 to be TbErO3" +mp-1187342,TbErO3,-8.003597216,-3.1951670073,0.8259334589,0.8259334589,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Er-O-Tb,5.0,AB3C_cP5_221_b_c_a:Er-O-Tb +mp-972072,YbYPd2,-5.4738961,-0.8824353467,0.0029505612,0.0029505612,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Y-Yb,,A2BC_cF16_225_c_a_b:Pd-Y-Yb +mp-2647162,PuTlO3,-8.9094908055,-2.6153812834,0.0,-0.0219903152,GGA,P4/mbm,A3BC_tP10_127_cg_d_b:O-Pu-Tl,20.0,A3BC_tP10_127_cg_d_b:O-Pu-Tl +mp-1245499,GePbN2,-6.2119476386,0.0402185552,0.1847575156,0.1847575156,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ge-N-Pb,64.0,AB2C_oP64_61_2c_4c_2c:Ge-N-Pb +mp-1245525,GePbN2,-6.1677673994,0.0843987944,0.2289377548,0.2289377548,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ge-N-Pb,16.0,AB2C_oC32_64_f_ef_f:Ge-N-Pb +mp-1246952,GePbN2,-6.006583805,0.2455823887,0.3901213492,0.3901213492,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ge-N-Pb,8.0,AB2C_tP8_129_c_ac_c:Ge-N-Pb +mp-1184782,GePb3,-3.796821105,0.1434211613,0.1434211613,0.1434211613,GGA,I4/mmm,AB3_tI8_139_a_bd:Ge-Pb,4.0,AB3_tI8_139_a_bd:Ge-Pb +mp-1246521,Ge7PbN10,-6.7862878378,-0.1507994319,0.0740389509,0.0740389509,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Ge-N-Pb,36.0,A7B10C_mP36_7_7a_10a_a:Ge-N-Pb +mp-1246512,Ge2Pb5N6,-5.7596993588,0.2270899188,0.3160369714,0.3160369714,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Pb,,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Pb +mp-1245424,GePb7N6,-5.4140401986,0.3452831511,0.3865799969,0.3865799969,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Ge-N-Pb,56.0,AB6C7_oP56_60_c_3d_c3d:Ge-N-Pb +mp-1173111,TaRhO4,-8.8430435133,-2.3415701225,0.0621364073,0.0621364073,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Rh-Ta,6.0,A4BC_oC12_65_gj_a_c:O-Rh-Ta +mp-760402,TaRhO4,-8.8911392783,-2.3896658875,0.0140406423,0.0140406423,GGA,I4_1md,A4BC_tI24_109_2b_a_a:O-Rh-Ta,12.0,"Invalid WP multiplicities - A4BC_tI24_109_7b_a_a:O-Rh-Ta, expected TaRhO14 to be TaRhO4" +mp-568036,La2GaN3,-7.5525101475,-1.2342443129,0.0,-0.0144587217,GGA,C2/c,AB2C3_mC48_15_f_2f_2e2f:Ga-La-N,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_f_6f_2e5f:Ga-La-N, expected La6GaN6 to be La2GaN3" +mp-1207577,Zn2InI4,-2.2233311429,-0.6283830929,0.1487184822,0.1487184822,GGA,P2_1/m,A4BC2_mP14_11_2ef_e_2e:I-In-Zn,14.0,A4BC2_mP14_11_2ef_e_2e:I-In-Zn +mp-1102147,Sc(P2Rh3)2,-7.4182734991,-0.8572256489000001,0.0228308073,0.0228308073,GGA,P-6,A4B6C_hP11_174_ak_jk_c:P-Rh-Sc,11.0,A4B6C_hP11_174_ak_jk_c:P-Rh-Sc +mp-1105186,Cu3B5Pt9,-6.1123722976,-0.2103264892,0.0,-0.0537049594,GGA,P-62m,A5B3C9_hP17_189_cg_f_fk:B-Cu-Pt,17.0,A5B3C9_hP17_189_cg_f_fk:B-Cu-Pt +mp-1106302,Th(BIr)4,-8.2976742272,-0.5771006657000001,0.0,-0.0585637579,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Th,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Th +mp-10115,ThB2Ir3,-8.5823402,-0.7010161447000001,0.0,-0.0598721708,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Th,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Th +mp-1219710,PrYMg2,-3.71527322,-0.1032889779,0.0101419825,0.0085408775,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Mg-Pr-Y,4.0,A2BC_tP4_123_h_a_b:Mg-Pr-Y +mp-861479,PrYMg2,-3.7254152025,-0.1134309604,0.0,-0.001601105,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pr-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Pr-Y +mp-1219717,PrYMg4,-3.03539947,-0.0939832919,0.0269939117,0.0269939117,GGA,F-43m,A4BC_cF24_216_e_a_c:Mg-Pr-Y,6.0,A4BC_cF24_216_e_a_c:Mg-Pr-Y +mp-1219735,PrYMg6,-2.7112668213,-0.1051346752,0.00329977,0.00329977,GGA,R-3m,A6BC_hR24_166_3c_a_b:Mg-Pr-Y,8.0,"Invalid WP multiplicities - A6BC_hR24_166_4c_a_b:Mg-Pr-Y, expected PrYMg8 to be PrYMg6" +mp-1208643,SrHfS3,-6.9241553385,-2.1129489217,0.0,-0.0075090405,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hf-S-Sr,20.0,AB3C_oP20_62_a_cd_c:Hf-S-Sr +mp-1023498,KMg15,-1.4686028175,0.1010596636,0.1165700357,0.1165700357,GGA,P-6m2,AB15_hP16_187_a_bhjkn:K-Mg,16.0,"Invalid WP multiplicities - AB15_hP16_187_a_bh3j3kn:K-Mg, expected KMg27 to be KMg15" +mp-1204087,K3Mg18Sn11,-2.5749794742,-0.1924317197,0.0088625624,0.0088625624,GGA,P6_3/m,A3B18C11_hP64_176_cf_2h2i_ehi:K-Mg-Sn,64.0,A3B18C11_hP64_176_cf_2h2i_ehi:K-Mg-Sn +mp-975857,K3Mg,-1.0804942862,0.1523749365,0.1565110357,0.1565110357,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Mg,8.0,A3B_hP8_194_h_c:K-Mg +mp-1184849,K3Mg,-1.081398335,0.1514708877,0.155606987,0.155606987,GGA,Pm-3m,A3B_cP4_221_c_a:K-Mg,4.0,A3B_cP4_221_c_a:K-Mg +mp-1184862,K3Mg,-1.086824625,0.1460445978,0.150180697,0.150180697,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Mg,4.0,A3B_cF16_225_ac_b:K-Mg +mp-1028305,KMg14Sn,-1.6711985588,0.0490446601,0.1116251605,0.1116251605,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Sn, expected KMg18Sn to be KMg14Sn" +mp-1028276,KMg14Sn,-1.6471714569,0.073071762,0.1356522624,0.1356522624,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Sn, expected KMg26Sn to be KMg14Sn" +mp-1021418,KMg6Sn,-1.7369854269,0.1032209609,0.2019605149,0.2019605149,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Sn, expected KMg12Sn to be KMg6Sn" +mp-1099295,KMg6Sn,-1.7389540975000002,0.1012522902,0.1999918443,0.1999918443,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Sn,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Sn +mp-1016293,KMg7,-1.3640704238,0.1749744884,0.1894508358,0.1894508358,GGA,P-6m2,AB7_hP8_187_a_djk:K-Mg,8.0,AB7_hP8_187_a_djk:K-Mg +mp-1087476,K2Mg5Sn3,-2.42771842,-0.2026270491,0.0,-0.021689587,GGA,I4/mmm,A2B5C3_tI20_139_e_ag_be:K-Mg-Sn,10.0,A2B5C3_tI20_139_e_ag_be:K-Mg-Sn +mp-1016287,KMg3,-1.2742901475,0.2035196268,0.2159279245,0.2159279245,GGA,Pmm2,AB3_oP4_25_a_bcd:K-Mg,4.0,AB3_oP4_25_a_bcd:K-Mg +mp-1185047,KMg3,-1.2427642825,0.2350454918,0.2474537895,0.2474537895,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Mg,4.0,AB3_tI8_139_a_bd:K-Mg +mp-1184990,KMg3,-1.2458900625,0.2319197118,0.2443280095,0.2443280095,GGA,Fm-3m,AB3_cF16_225_a_bc:K-Mg,4.0,"Invalid WP multiplicities - AB3_cF16_225_a_b2c:K-Mg, expected KMg5 to be KMg3" +mp-1185536,KMg149,-1.613448277,-0.016434101,0.0,-0.016434101,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:K-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k6l5m16n8o:K-Mg, expected KMg315 to be KMg149" +mp-1217997,Ta3AlB8,-8.2245296733,-0.4950260994,0.0051676236,0.0051676236,GGA,P6/mmm,AB8C3_hP12_191_a_2h_be:Al-B-Ta,12.0,"Invalid WP multiplicities - AB8C3_hP12_191_a_5h_b2e:Al-B-Ta, expected Ta5AlB20 to be Ta3AlB8" +mp-1217788,Ta10Al6B,-8.9840064359,-0.2939697858,0.030300262,0.030300262,GGA,P-31m,A6BC10_hP17_162_k_a_cdk:Al-B-Ta,17.0,A6BC10_hP17_162_k_a_cdk:Al-B-Ta +mp-1206654,Hf2VSi2,-7.16133105,0.8084529880000001,1.544606101,1.544606101,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Hf-Si-V,5.0,A2B2C_tP5_123_g_g_a:Hf-Si-V +mp-1224260,HfVSi,-8.5883888775,-0.4329178342,0.2723173208,0.1927585264,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Hf-Si-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Hf-Si-V, expected Hf3(VSi)2 to be HfVSi" +mp-1018720,HfVSi,-8.8607061983,-0.705235155,0.0,-0.0795587944,GGA,P4/nmm,ABC_tP6_129_c_c_a:Hf-Si-V,6.0,ABC_tP6_129_c_c_a:Hf-Si-V +mp-1103853,Tb(Mo3S4)2,-8.020907158,-1.1675827783,0.0094140666,0.0094140666,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Tb,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Tb +mp-865865,Yb(ErS2)2,-6.3096566779,-2.4209644825,0.0,-0.016755871,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Er-S-Yb,,A2B4C_oP28_62_2c_4c_c:Er-S-Yb +mp-706875,Fe21O23,-8.1094244377,-1.4811452157,0.0531194395,0.0531194395,GGA+U,P1,A21B23_aP44_1_21a_23a:Fe-O,44.0,A21B23_aP44_1_21a_23a:Fe-O +mp-764417,Fe14O15,-8.1103958193,-1.4627879707,0.0588986209,0.0588986209,GGA+U,I4/m,A14B15_tI58_87_ehi_aehi:Fe-O,29.0,"Invalid WP multiplicities - A14B15_tI58_87_2eh3i_a2eh2i:Fe-O, expected Fe32O25 to be Fe14O15" +mp-705753,Fe38O39,-8.1113902599,-1.4259140817,0.0711297729,0.0711297729,GGA+U,P-1,A38B39_aP77_2_19i_a19i:Fe-O,77.0,"Invalid WP multiplicities - A38B39_aP77_2_37i_a37i:Fe-O, expected Fe74O75 to be Fe38O39" +mp-530050,Fe43O64,-7.9501339267,-1.5875265478,0.1162768385,0.1162768385,GGA+U,C2,A43B64_mC214_5_2ab20c_32c:Fe-O,107.0,"Invalid WP multiplicities - A43B64_mC214_5_2ab39c_64c:Fe-O, expected Fe81O128 to be Fe43O64" +mp-776135,Fe23O32,-7.9798345558,-1.5597522542,0.1086939565,0.1086939565,GGA+U,P1,A23B32_aP55_1_23a_32a:Fe-O,55.0,A23B32_aP55_1_23a_32a:Fe-O +mp-774295,Fe23O32,-7.900296626,-1.4802143244,0.1882318863,0.1882318863,GGA+U,R-3m,A23B32_hR165_166_cdf2h_c3hi:Fe-O,55.0,"Invalid WP multiplicities - A23B32_hR165_166_2c3d4f10h_2c11h7i:Fe-O, expected Fe97O154 to be Fe23O32" +mp-530048,Fe21O32,-7.8397772858,-1.4970511694,0.1946917227,0.1946917227,GGA+U,R32,A21B32_hR159_155_acde2f_c5f:Fe-O,53.0,"Invalid WP multiplicities - A21B32_hR159_155_a2c3d3e9f_2c26f:Fe-O, expected Fe77O160 to be Fe21O32" +mp-1188678,Fe4O5,-8.0325582606,-1.5199439943000002,0.0895893911,0.0895893911,GGA+U,Cmcm,A4B5_oC36_63_acf_c2f:Fe-O,18.0,A4B5_oC36_63_acf_c2f:Fe-O +mp-705551,Fe15O16,-8.0937469755,-1.4422199584,0.0769162424,0.0769162424,GGA+U,P1,A15B16_aP31_1_15a_16a:Fe-O,31.0,A15B16_aP31_1_15a_16a:Fe-O +mp-1224936,Fe15O16,-8.0866468755,-1.4351198584,0.0840163424,0.0840163424,GGA+U,R-3m,A15B16_hR93_166_ab2cdh_2c2h:Fe-O,31.0,"Invalid WP multiplicities - A15B16_hR93_166_ab2cdh_4c12h:Fe-O, expected Fe3O16 to be Fe15O16" +mp-705424,Fe17O18,-8.1327323003,-1.4747106611,0.0401991779,0.0401991779,GGA+U,P-1,A17B18_aP35_2_a8i_9i:Fe-O,35.0,"Invalid WP multiplicities - A17B18_aP35_2_a16i_17i:Fe-O, expected Fe33O34 to be Fe17O18" +mp-1147691,Fe2O5,-6.7990446371,-0.8456894977,0.3742067375,0.3742067375,GGA+U,P-1,A2B5_aP14_2_2i_5i:Fe-O,28.0,"Invalid WP multiplicities - A2B5_aP14_2_4i_9i:Fe-O, expected Fe4O9 to be Fe2O5" +mp-759037,Fe9O10,-8.1184011437,-1.5027654593,0.0397269518,0.0397269518,GGA+U,P-1,A9B10_aP19_2_a4i_5i:Fe-O,19.0,"Invalid WP multiplicities - A9B10_aP19_2_a7i_9i:Fe-O, expected Fe5O6 to be Fe9O10" +mp-685153,Fe2O3,-7.8385187716,-1.4824970609,0.2253576684,0.0976456425,GGA+U,P1,A2B3_aP160_1_64a_96a:Fe-O,160.0,A2B3_aP160_1_64a_96a:Fe-O +mp-776606,Fe2O3,-7.9408548862,-1.5848331755,0.1230215537,-0.0046904722,GGA+U,P1,A2B3_aP40_1_16a_24a:Fe-O,40.0,"Invalid WP multiplicities - A2B3_mP40_7_16a_23a:Fe-O, expected Fe16O23 to be Fe2O3" +mp-1244869,Fe2O3,-7.774366821,-1.4183451102,0.289509619,0.1617975931,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1244911,Fe2O3,-7.7899815759,-1.4339598651,0.2738948641,0.1461828382,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1245019,Fe2O3,-7.7752242266,-1.4192025159,0.2886522134,0.1609401875,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1245078,Fe2O3,-7.7580552999,-1.4020335891,0.3058211401,0.1781091142,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1245084,Fe2O3,-7.5117592086,-1.1557374979,0.5521172314,0.4244052055,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1245154,Fe2O3,-7.743000167,-1.3869784562,0.320876273,0.1931642471,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-1245277,Fe2O3,-7.7195815409,-1.3635598301,0.3442948991,0.2165828732,GGA+U,P1,A2B3_aP80_1_32a_48a:Fe-O,80.0,A2B3_aP80_1_32a_48a:Fe-O +mp-715572,Fe2O3,-7.9866988893,-1.6306771785,0.0771775507,-0.0505344752,GGA+U,C2,A2B3_mC80_5_2a2b6c_12c:Fe-O,40.0,A2B3_aP40_1_16a_24a:Fe-O +mp-705547,Fe2O3,-7.9040235083,-1.5480017975,0.1598529317,0.0321409058,GGA+U,Cm,A2B3_mC80_8_10a3b_12a6b:Fe-O,40.0,"Invalid WP multiplicities - A2B3_mC80_8_10a5b_12a10b:Fe-O, expected Fe5O8 to be Fe2O3" +mp-1181824,Fe2O3,-7.895749931,-1.5397282203,0.168126509,0.0404144831,GGA+U,C2/c,A2B3_mC20_15_f_ef:Fe-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Fe-O, expected FeO4 to be Fe2O3" +mp-1356129,Fe2O3,-7.9792174305,-1.6231957198,0.0846590095,-0.0430530164,GGA+U,I2_12_12_1,A2B3_oI80_24_2a2b2cd_6d:Fe-O,40.0,"Invalid WP multiplicities - A2B3_mC80_5_2a2b8c_22c:Fe-O, expected Fe5O11 to be Fe2O3" +mp-715276,Fe2O3,-7.977974578,-1.6219528672,0.085901862,-0.0418101639,GGA+U,Pna2_1,A2B3_oP20_33_2a_3a:Fe-O,20.0,A2B3_oP20_60_d_cd:Fe-O +mp-542896,Fe2O3,-7.9480318555,-1.5920101447,0.1158445845,-0.0118674414,GGA+U,Pna2_1,A2B3_oP40_33_4a_6a:Fe-O,40.0,A2B3_oP40_33_4a_6a:Fe-O +mp-510080,Fe2O3,-7.9331552345,-1.5771335238000002,0.1307212055,0.0030091796,GGA+U,Pbcn,A2B3_oP20_60_d_cd:Fe-O,20.0,A2B3_oP20_60_d_cd:Fe-O +mp-1178392,Fe2O3,-7.9510213268,-1.594999616,0.1128551132,-0.0148569127,GGA+U,Pbca,A2B3_oP40_61_2c_3c:Fe-O,40.0,"Invalid WP multiplicities - A2B3_oP40_61_9c_9c:Fe-O, expected FeO to be Fe2O3" +mp-1205415,Fe2O3,-7.8865328735,-1.5305111628,0.1773435665,0.0496315406,GGA+U,Pnma,A2B3_oP20_62_ac_cd:Fe-O,20.0,A2B3_oP20_62_ac_cd:Fe-O +mp-1378486,Fe2O3,-7.7887030205,-1.4326813098,0.2751734195,0.1474613936,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Fe-O,20.0,A2B3_oC40_63_2f_ac2f:Fe-O +mp-1078361,Fe2O3,-7.827425691,-1.4714039803,0.236450749,0.1087387231,GGA+U,Cmcm,A2B3_oC20_63_ac_cf:Fe-O,10.0,A2B3_oC20_63_ac_cf:Fe-O +mp-1456,Fe2O3,-7.9445165588,-1.588494848,0.1193598812,-0.0083521447,GGA+U,P4_12_12,A2B3_tP160_92_2a7b_12b:Fe-O,160.0,A2B3_tP160_92_2a7b_12b:Fe-O +mp-557546,Fe2O3,-7.5360794547,-1.1800577439,0.5277969853,0.4000849594,GGA+U,P3,A2B3_hP30_143_4abc2d_6d:Fe-O,30.0,A2B3_hP30_143_4abc2d_6d:Fe-O +mp-716814,Fe2O3,-7.5608284447,-1.2048067339,0.5030479953,0.3753359694,GGA+U,P3,A2B3_hP30_143_4abc2d_6d:Fe-O,30.0,A2B3_hP30_143_4abc2d_6d:Fe-O +mp-19770,Fe2O3,-8.06387644,-1.7078547292,0.0,-0.1277120259,GGA+U,R-3c,A2B3_hR30_167_c_e:Fe-O,10.0,A2B3_hR30_167_c_e:Fe-O +mp-565814,Fe2O3,-7.992577544199999,-1.6365558335,0.0712988957,-0.0564131302,GGA+U,Ia-3,A2B3_cI80_206_ad_e:Fe-O,40.0,"Invalid WP multiplicities - A2B3_cI80_206_2a2d_e:Fe-O, expected Fe4O3 to be Fe2O3" +mp-1068212,Fe2O3,-7.204266828,-0.8482451172000001,0.8596096120000001,0.7318975861,GGA+U,Pm-3m,A2B3_cP5_221_ab_c:Fe-O,5.0,A2B3_cP5_221_ab_c:Fe-O +mp-863766,Fe32O35,-8.1053460681,-1.4758716858,0.0576152214,0.0576152214,GGA+U,P1,A32B35_aP67_1_32a_35a:Fe-O,67.0,A32B35_aP67_1_32a_35a:Fe-O +mp-1354450,FeO2,-7.2732194461,-1.1520865686,0.2711257058,0.2711257058,GGA+U,P1,AB2_aP36_1_12a_24a:Fe-O,36.0,AB2_aP36_1_12a_24a:Fe-O +mp-1205429,FeO2,-7.3583738025,-1.237240925,0.1859713494,0.1859713494,GGA+U,Pm,AB2_mP24_6_4a4b_8a8b:Fe-O,24.0,AB2_mP24_10_4m4n_8m8n:Fe-O +mp-1355192,FeO2,-7.2040478147,-1.0829149372,0.3402973372,0.3402973372,GGA+U,Cm,AB2_mC72_8_6a3b_12a6b:Fe-O,36.0,AB2_mC72_8_6a6b_12a12b:Fe-O +mp-1359196,FeO2,-7.2736262867,-1.1524934092,0.2707188652,0.2707188652,GGA+U,Cm,AB2_mC72_8_6a3b_12a6b:Fe-O,36.0,AB2_mC72_8_6a6b_12a12b:Fe-O +mp-1350825,FeO2,-7.2106443804,-1.0895115029,0.3337007715,0.3337007715,GGA+U,Cm,AB2_mC96_8_8a4b_16a8b:Fe-O,48.0,"Invalid WP multiplicities - AB2_mC96_8_8a7b_16a16b:Fe-O, expected Fe11O24 to be FeO2" +mp-1181766,FeO2,-7.3643538142,-1.2432209367,0.1799913377,0.1799913377,GGA+U,P2/m,AB2_mP24_10_2m2n_4m4n:Fe-O,24.0,AB2_mP24_10_4m4n_8m8n:Fe-O +mp-1062652,FeO2,-7.28793603,-1.1668031525,0.2564091219,0.2564091219,GGA+U,C2/m,AB2_mC6_12_a_i:Fe-O,3.0,AB2_mC6_12_a_i:Fe-O +mp-1047285,FeO2,-7.1538632329,-1.0327303554,0.390481919,0.390481919,GGA+U,Pnma,AB2_oP24_62_2c_4c:Fe-O,24.0,AB2_oP24_62_2c_4c:Fe-O +mp-796259,FeO2,-7.3401018358,-1.2189689583,0.204243316,0.204243316,GGA+U,Pnma,AB2_oP12_62_c_2c:Fe-O,12.0,AB2_oP12_62_c_2c:Fe-O +mp-1097003,FeO2,-7.2689877417,-1.1478548642,0.2753574102,0.2753574102,GGA+U,Cmcm,AB2_oC12_63_c_2c:Fe-O,6.0,AB2_oC12_63_c_2c:Fe-O +mp-1395285,FeO2,-7.286377345,-1.1652444675,0.2579678069,0.2579678069,GGA+U,Imma,AB2_oI24_74_ac_hi:Fe-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_2ac_4h3i:Fe-O, expected Fe3O14 to be FeO2" +mp-1387762,FeO2,-7.1703465458,-1.0492136683,0.373998606,0.373998606,GGA+U,Imma,AB2_oI24_74_ae_hi:Fe-O,12.0,AB2_oI24_74_a2e_2hi:Fe-O +mp-796324,FeO2,-7.364731795,-1.2435989175,0.1796133569,0.1796133569,GGA+U,I4/m,AB2_tI24_87_h_2h:Fe-O,12.0,AB2_tI24_87_h_2h:Fe-O +mp-850222,FeO2,-7.39937863,-1.2782457525,0.1449665219,0.1449665219,GGA+U,P4_2/mnm,AB2_tP6_136_a_f:Fe-O,6.0,AB2_tP6_136_a_f:Fe-O +mp-714904,FeO2,-7.2649307733,-1.1437978958,0.2794143785,0.2794143785,GGA+U,I4_1/amd,AB2_tI24_141_c_h:Fe-O,12.0,AB2_tI24_141_c_h:Fe-O +mp-25332,FeO2,-7.377403925,-1.2562710475,0.1669412269,0.1669412269,GGA+U,I4_1/amd,AB2_tI12_141_a_e:Fe-O,6.0,AB2_tI12_141_a_e:Fe-O +mp-1355579,FeO2,-7.2646100917,-1.1434772142,0.2797350602,0.2797350602,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Fe-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c13d:Fe-O, expected Fe8O15 to be FeO2" +mp-1443203,FeO2,-7.23542549,-1.1142926125,0.3089196619,0.3089196619,GGA+U,R3m,AB2_hR36_160_ab_2a2b:Fe-O,12.0,AB2_hR36_160_ab_2a2b:Fe-O +mp-821313,FeO2,-7.26998772,-1.1488548425,0.2743574319,0.2743574319,GGA+U,P-3m1,AB2_hP3_164_a_d:Fe-O,3.0,AB2_hP3_164_a_d:Fe-O +mp-25236,FeO2,-7.27064079,-1.1495079125,0.2737043619,0.2737043619,GGA+U,R-3m,AB2_hR9_166_a_c:Fe-O,3.0,AB2_hR9_166_a_c:Fe-O +mp-1431292,FeO2,-7.2353229567,-1.1141900792,0.3090221952,0.3090221952,GGA+U,R-3m,AB2_hR9_166_a_c:Fe-O,3.0,AB2_hR9_166_a_c:Fe-O +mp-1412685,FeO2,-5.5621021433,0.5590307342,1.9822430085,1.9822430085,GGA+U,P6_3/mmc,AB2_hP6_194_c_f:Fe-O,6.0,AB2_hP6_194_c_f:Fe-O +mp-1384466,FeO2,-7.2245994317,-1.1034665542,0.3197457202,0.3197457202,GGA+U,P6_3/mmc,AB2_hP6_194_a_f:Fe-O,6.0,AB2_hP6_194_a_f:Fe-O +mp-540003,FeO2,-7.2244506183,-1.1033177408,0.3198945335,0.3198945335,GGA+U,Fd-3m,AB2_cF48_227_c_e:Fe-O,12.0,AB2_cF48_227_c_e:Fe-O +mp-863316,FeO3,-6.3550365613,-0.5275147253,0.5398944805,0.5398944805,GGA+U,C2/m,AB3_mC16_12_i_3i:Fe-O,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_5i:Fe-O, expected FeO5 to be FeO3" +mp-705414,Fe13O14,-8.0958435919,-1.4527355294,0.0718792887,0.0718792887,GGA+U,R-3,A13B14_hR81_148_a2f_c2f:Fe-O,27.0,"Invalid WP multiplicities - A13B14_hR81_148_a10f_2c6f:Fe-O, expected Fe61O40 to be Fe13O14" +mp-861502,AcFeO3,-8.258555312,-2.7723028418,0.0,-0.049159644,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Fe-O,5.0,ABC3_cP5_221_a_b_c:Ac-Fe-O +mp-715333,Fe7O8,-8.085442245,-1.494531701,0.064050544,0.064050544,GGA+U,P-1,A7B8_aP30_2_abcdefgh3i_8i:Fe-O,30.0,"Invalid WP multiplicities - A7B8_aP30_2_abcdefgh3i_16i:Fe-O, expected Fe7O16 to be Fe7O8" +mp-32939,Fe7O8,-8.0503568847,-1.4594463407,0.0991359043,0.0991359043,GGA+U,Fm-3m,A7B8_cF60_225_ad_ce:Fe-O,15.0,"Invalid WP multiplicities - A7B8_cF60_225_a2d_2ce:Fe-O, expected Fe13O10 to be Fe7O8" +mp-1182503,Fe8O17,-7.1901763146,-1.1160212037,0.2502625797,0.2502625797,GGA+U,P1,A8B17_aP50_1_16a_34a:Fe-O,50.0,A8B17_aP50_1_16a_34a:Fe-O +mp-1225001,Fe5O8,-7.7588703977,-1.4570538023,0.1851142066,0.1851142066,GGA+U,R-3m,A5B8_hR39_166_cd_ch:Fe-O,13.0,"Invalid WP multiplicities - A5B8_hR39_166_cd_2c2h:Fe-O, expected Fe5O16 to be Fe5O8" +mp-510746,Fe5O8,-7.7805817713,-1.478765176,0.1634028329,0.1634028329,GGA+U,P4_332,A5B8_cP52_212_cd_ce:Fe-O,52.0,"Invalid WP multiplicities - A5B8_cP52_212_4c4d_8c8e:Fe-O, expected Fe5O16 to be Fe5O8" +mp-1225007,Fe5O8,-7.7622650877,-1.4604484923,0.1817195166,0.1817195166,GGA+U,F-43m,A5B8_cF52_216_ae_2e:Fe-O,13.0,A5B8_cF52_216_ae_2e:Fe-O +mp-1195927,Fe13O19,-7.7698247853,-1.3917822464,0.3025258045,0.3025258045,GGA+U,C2/m,A13B19_mC64_12_a6i_d9i:Fe-O,32.0,A13B19_mC64_12_a6i_c9i:Fe-O +mp-764326,Fe12O13,-8.0827547156,-1.4448664049,0.0831451558,0.0831451558,GGA+U,R-3,A12B13_hR75_148_2f_a2f:Fe-O,25.0,"Invalid WP multiplicities - A12B13_hR75_148_7f_a5f:Fe-O, expected Fe42O31 to be Fe12O13" +mp-705553,Fe23O25,-8.1146133585,-1.4796611583,0.0502610702,0.0502610702,GGA+U,P-1,A23B25_aP48_2_b11i_e12i:Fe-O,48.0,"Invalid WP multiplicities - A23B25_aP48_2_b21i_e23i:Fe-O, expected Fe43O47 to be Fe23O25" +mp-1342828,Fe9O13,-7.8122002077,-1.4241482015,0.2640022684,0.2640022684,GGA+U,C2/m,A9B13_mC44_12_a4i_d6i:Fe-O,22.0,A9B13_mC44_12_a4i_c6i:Fe-O +mp-757565,Fe41O56,-8.0077772877,-1.571844943,0.0868507063,0.0868507063,GGA+U,R3,A41B56_hR291_146_2a13b_2a18b:Fe-O,97.0,"Invalid WP multiplicities - A41B56_hR291_146_2a35b_2a50b:Fe-O, expected Fe107O152 to be Fe41O56" +mp-1095382,Fe5O7,-7.9154573667,-1.5007134476,0.1710168063,0.1710168063,GGA+U,C2/m,A5B7_mC24_12_a2i_d3i:Fe-O,12.0,A5B7_mC24_12_a2i_c3i:Fe-O +mp-1326275,Fe5O7,-7.8730555708,-1.4583116518,0.2134186021,0.2134186021,GGA+U,Cmcm,A5B7_oC48_63_a2f_c3f:Fe-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Fe-O, expected FeO to be Fe5O7" +mp-1181334,Fe4O13,-6.1062829265,-0.3305748038,0.6740456252,0.6740456252,GGA+U,Immm,A4B13_oI34_71_k_almn:Fe-O,17.0,A4B13_oI34_71_k_almn:Fe-O +mp-1181411,Fe4O13,-6.2009667459,-0.4252586232,0.5793618058000001,0.5793618058000001,GGA+U,Immm,A4B13_oI34_71_k_almn:Fe-O,17.0,A4B13_oI34_71_k_almn:Fe-O +mp-1244983,FeO,-7.9126898785,-1.2043349179,0.2778206165,0.2358512571,GGA+U,P1,AB_aP80_1_40a_40a:Fe-O,80.0,AB_aP80_1_40a_40a:Fe-O +mp-1245001,FeO,-7.8701723023,-1.1618173416,0.3203381927,0.2783688334,GGA+U,P1,AB_aP80_1_40a_40a:Fe-O,80.0,AB_aP80_1_40a_40a:Fe-O +mp-1245168,FeO,-7.8848157743,-1.1764608136,0.3056947207,0.2637253614,GGA+U,P1,AB_aP80_1_40a_40a:Fe-O,80.0,AB_aP80_1_40a_40a:Fe-O +mp-18905,FeO,-7.78033575,-1.0719807894,0.410174745,0.3682053856,GGA+U,Fm-3m,AB_cF8_225_a_b:Fe-O,8.0,AB_tI4_139_a_b:Fe-O +mp-1178239,FeO,-7.8904432587,-1.1820882981,0.3000672363,0.2580978769,GGA+U,Cc,AB_mC16_9_2a_2a:Fe-O,8.0,AB_mC16_9_3a_3a:Fe-O +mp-756436,FeO,-8.07488221,-1.3665272494,0.115628285,0.0736589256,GGA+U,C2/m,AB_mC8_12_ac_i:Fe-O,4.0,AB_mC8_15_c_e:Fe-O +mp-1178232,FeO,-8.17847444,-1.4701194794,0.012036055,-0.0299333044,GGA+U,C2/m,AB_mC8_12_ad_i:Fe-O,8.0,AB_aP8_2_ac2i_3i:Fe-O +mp-1274279,FeO,-8.190510495,-1.4821555344,0.0,-0.0419693594,GGA+U,C2/m,AB_mC8_12_ad_i:Fe-O,8.0,"Invalid WP multiplicities - AB_mC8_12_2a2d_i:Fe-O, expected Fe2O to be FeO" +mp-1283030,FeO,-8.1764486337,-1.4680936731,0.0140618613,-0.0279074981,GGA+U,C2/c,AB_mC8_15_c_e:Fe-O,8.0,AB_mC8_15_c_e:Fe-O +mp-753682,FeO,-8.1034085,-1.3950535394,0.087101995,0.0451326356,GGA+U,P4_2/mmc,AB_tP4_131_c_e:Fe-O,8.0,AB_tP4_131_c_e:Fe-O +mp-715262,FeO,-8.18123044,-1.4728754794,0.009280055,-0.0326893044,GGA+U,I4/mmm,AB_tI4_139_a_b:Fe-O,4.0,AB_tI4_139_a_b:Fe-O +mp-1181437,FeO,-7.137649745,-0.4292947844,1.05286075,1.0108913906,GGA+U,I4/mmm,AB_tI4_139_a_b:Fe-O,2.0,AB_tI4_139_a_b:Fe-O +mp-1178247,FeO,-8.0792427487,-1.3708877881,0.1112677463,0.0692983869,GGA+U,P31c,AB_hP24_159_2c_a2bc:Fe-O,24.0,"Invalid WP multiplicities - AB_hP24_159_11c_a4b3c:Fe-O, expected Fe33O14 to be FeO" +mp-754765,FeO,-7.7276396287,-1.0192846681,0.4628708663,0.4209015069,GGA+U,P6_3mc,AB_hP8_186_ab_ab:Fe-O,8.0,AB_hP8_186_a2b_a2b:Fe-O +mp-849689,FeO,-8.0867110367,-1.378356076,0.1037994583,0.061830099,GGA+U,P-62c,AB_hP24_190_i_afh:Fe-O,24.0,"Invalid WP multiplicities - AB_hP24_190_i_a3f3h:Fe-O, expected Fe3O8 to be FeO" +mp-755189,FeO,-8.0770237625,-1.3686688019,0.1134867325,0.0715173731,GGA+U,P6_3/mmc,AB_hP4_194_a_c:Fe-O,4.0,AB_mC8_12_ad_i:Fe-O +mp-705555,Fe10O11,-8.1160903002,-1.4916242086,0.0451218333,0.0451218333,GGA+U,P-1,A10B11_aP42_2_ab9i_11i:Fe-O,42.0,"Invalid WP multiplicities - A10B11_aP42_2_ab18i_20i:Fe-O, expected Fe19O20 to be Fe10O11" +mp-759504,Fe10O11,-8.1044020648,-1.4799359732,0.0568100688,0.0568100688,GGA+U,P-1,A10B11_aP21_2_5i_a5i:Fe-O,21.0,"Invalid WP multiplicities - A10B11_aP21_2_9i_a10i:Fe-O, expected Fe6O7 to be Fe10O11" +mp-799417,Fe10O11,-7.4485041505,-0.8240380589,0.7127079831,0.7127079831,GGA+U,P-1,A10B11_aP21_2_5i_a5i:Fe-O,21.0,"Invalid WP multiplicities - A10B11_aP21_2_9i_a10i:Fe-O, expected Fe6O7 to be Fe10O11" +mp-705588,Fe8O9,-8.1047142821,-1.4999867479,0.0496041194,0.0496041194,GGA+U,P1,A8B9_aP34_1_16a_18a:Fe-O,34.0,"Invalid WP multiplicities - A8B9_aP34_2_ad13i_16i:Fe-O, expected Fe7O8 to be Fe8O9" +mp-763787,Fe8O9,-8.0920145771,-1.4872870429,0.0623038244,0.0623038244,GGA+U,P-1,A8B9_aP17_2_4i_a4i:Fe-O,17.0,"Invalid WP multiplicities - A8B9_aP17_2_8i_a8i:Fe-O, expected Fe16O17 to be Fe8O9" +mp-705417,Fe11O12,-8.114157513,-1.4823967372,0.0496023041,0.0496023041,GGA+U,P-1,A11B12_aP23_2_a5i_6i:Fe-O,23.0,"Invalid WP multiplicities - A11B12_aP23_2_a9i_11i:Fe-O, expected Fe19O22 to be Fe11O12" +mp-756693,Fe13O15,-8.0687397668,-1.4862181097,0.0778231861,0.0778231861,GGA+U,P-1,A13B15_aP28_2_b6i_c7i:Fe-O,28.0,"Invalid WP multiplicities - A13B15_aP28_2_b12i_c13i:Fe-O, expected Fe25O27 to be Fe13O15" +mp-694910,Fe35O36,-7.3982339189,-0.7146911589,0.7836108636,0.7836108636,GGA+U,P1,A35B36_aP71_1_35a_36a:Fe-O,71.0,A35B36_aP71_1_35a_36a:Fe-O +mp-1194978,Fe25O32,-7.9296826872,-1.4376727046,0.1852688757,0.1852688757,GGA+U,Amm2,A25B32_oC114_38_a4b7d3e_4a4d10e:Fe-O,57.0,"Invalid WP multiplicities - A25B32_oC114_38_a4b13d3e_4a4d19e:Fe-O, expected Fe37O50 to be Fe25O32" +mp-705558,Fe7O9,-7.8936333606,-1.4054866812,0.2199689356,0.2199689356,GGA+U,P1,A7B9_aP48_1_21a_27a:Fe-O,48.0,A7B9_aP48_1_21a_27a:Fe-O +mp-1182249,Fe3O4,-8.0502209584,-1.5935326048,0.0523944523,0.0498366402,GGA+U,P1,A3B4_aP56_1_24a_32a:Fe-O,56.0,A3B4_aP56_1_24a_32a:Fe-O +mp-1185276,Fe3O4,-8.0438089946,-1.5871206411,0.0588064161,0.0562486039,GGA+U,P1,A3B4_aP56_1_24a_32a:Fe-O,56.0,A3B4_aP56_1_24a_32a:Fe-O +mp-1271978,Fe3O4,-8.0735322429,-1.6168438893,0.0290831679,0.0265253557,GGA+U,P1,A3B4_aP28_1_12a_16a:Fe-O,28.0,A3B4_aP28_1_12a_16a:Fe-O +mp-1271729,Fe3O4,-8.0408428754,-1.5841545218,0.0617725354,0.0592147232,GGA+U,C2,A3B4_mC56_5_ab5c_8c:Fe-O,28.0,"Invalid WP multiplicities - A3B4_mC56_5_ab8c_14c:Fe-O, expected Fe9O14 to be Fe3O4" +mp-1182229,Fe3O4,-7.9713455204,-1.5146571668000002,0.1312698904,0.1287120782,GGA+U,Pm,A3B4_mP56_6_8a8b4c_8a8b8c:Fe-O,56.0,"Invalid WP multiplicities - A3B4_mP56_6_8a8b8c_8a8b16c:Fe-O, expected Fe2O3 to be Fe3O4" +mp-1379262,Fe3O4,-7.1261872938,-0.6694989402,0.976428117,0.9738703048,GGA+U,Pm,A3B4_mP56_6_8a8b4c_8a8b8c:Fe-O,56.0,"Invalid WP multiplicities - A3B4_mP56_6_8a8b8c_8a8b16c:Fe-O, expected Fe2O3 to be Fe3O4" +mp-1181570,Fe3O4,-7.9700720979,-1.5133837443,0.1325433129,0.1299855007,GGA+U,Pc,A3B4_mP28_7_6a_8a:Fe-O,28.0,"Invalid WP multiplicities - A3B4_mP28_7_10a_13a:Fe-O, expected Fe10O13 to be Fe3O4" +mp-612405,Fe3O4,-7.925319805,-1.4686314514,0.1772956057,0.1747377936,GGA+U,Cm,A3B4_mC28_8_4ab_4a2b:Fe-O,14.0,"Invalid WP multiplicities - A3B4_mC28_8_4a2b_4a4b:Fe-O, expected Fe2O3 to be Fe3O4" +mp-1181340,Fe3O4,-7.97846541,-1.5217770564,0.1241500007,0.1215921886,GGA+U,P2/m,A3B4_mP7_10_bcd_mn:Fe-O,7.0,"Invalid WP multiplicities - A3B4_mP7_10_bce_2m2n:Fe-O, expected Fe3O8 to be Fe3O4" +mp-1181546,Fe3O4,-8.0266703521,-1.5699819986,0.0759450586,0.0733872464,GGA+U,P2/m,A3B4_mP28_10_bcegmno_2m2n2o:Fe-O,28.0,A3B4_mP28_10_bcdhmno_2m2n2o:Fe-O +mp-1181657,Fe3O4,-8.0622671125,-1.6055787589,0.0403482982,0.0377904861,GGA+U,P2/m,A3B4_mP28_10_bcegmno_2m2n2o:Fe-O,28.0,"Invalid WP multiplicities - A3B4_mP28_10_acehmno_3m4n2o:Fe-O, expected Fe6O11 to be Fe3O4" +mp-715614,Fe3O4,-7.6343357879,-1.1776474343,0.4682796229,0.4657218107,GGA+U,C2/m,A3B4_mC28_12_abhi_2ij:Fe-O,14.0,"Invalid WP multiplicities - A3B4_mP7_10_bce_2m2n:Fe-O, expected Fe3O8 to be Fe3O4" +mp-715811,Fe3O4,-8.0651785732,-1.6084902196000002,0.0374368375,0.0348790254,GGA+U,C2/m,A3B4_mC28_12_acei_2ij:Fe-O,28.0,A3B4_mP28_10_bcdhmno_2m2n2o:Fe-O +mp-1271821,Fe3O4,-8.0783613554,-1.6216730018,0.0242540554,0.0216962432,GGA+U,C2/c,A3B4_mC56_15_abcef_4f:Fe-O,28.0,"Invalid WP multiplicities - A3B4_mC56_15_ab2cef_10f:Fe-O, expected Fe7O20 to be Fe3O4" +mp-715275,Fe3O4,-7.98868927,-1.5320009164,0.1139261407,0.1113683286,GGA+U,Pmc2_1,A3B4_oP28_26_ab2c_ab3c:Fe-O,28.0,"Invalid WP multiplicities - A3B4_oP28_26_2ab4c_a2b7c:Fe-O, expected Fe11O17 to be Fe3O4" +mp-1181813,Fe3O4,-8.0541644786,-1.597476125,0.0484509321,0.04589312,GGA+U,Pmc2_1,A3B4_oP56_26_4a4b2c_4a4b4c:Fe-O,56.0,"Invalid WP multiplicities - A3B4_oP56_26_8a8b6c_7a8b14c:Fe-O, expected Fe28O43 to be Fe3O4" +mp-715438,Fe3O4,-8.02434948,-1.5676611264,0.0782659307,0.0757081186,GGA+U,Cmc2_1,A3B4_oC28_36_3a_4a:Fe-O,14.0,"Invalid WP multiplicities - A3B4_oC28_36_4a_5a:Fe-O, expected Fe4O5 to be Fe3O4" +mp-510252,Fe3O4,-8.0275680196,-1.5708796661000002,0.0750473911,0.0724895789,GGA+U,Pmma,A3B4_oP28_51_adefk_ij2k:Fe-O,28.0,"Invalid WP multiplicities - A3B4_oP28_51_2adefk_ij2k:Fe-O, expected Fe7O8 to be Fe3O4" +mp-1104628,Fe3O4,-7.0342895964,-0.5776012429,1.0683258143,1.0657680021,GGA+U,Pmma,A3B4_oP14_51_ei_aei:Fe-O,14.0,A3B4_oP14_51_ei_aei:Fe-O +mp-716052,Fe3O4,-8.0272237364,-1.5705353829000002,0.0753916743,0.0728338621,GGA+U,Pmna,A3B4_oP28_53_adgh_2hi:Fe-O,28.0,"Invalid WP multiplicities - A3B4_oP28_53_2a2dgh_7hi:Fe-O, expected Fe4O9 to be Fe3O4" +mp-505595,Fe3O4,-7.9882597932,-1.5315714396,0.1143556175,0.1117978054,GGA+U,Pbcm,A3B4_oP28_57_de_cde:Fe-O,28.0,A3B4_oP28_57_de_cde:Fe-O +mp-705416,Fe3O4,-7.9568236834,-1.5001353298,0.1457917273,0.1432339152,GGA+U,Pbcm,A3B4_oP56_57_ac4d_4d2e:Fe-O,56.0,"Invalid WP multiplicities - A3B4_oP56_57_4a4c14d_15d12e:Fe-O, expected Fe22O39 to be Fe3O4" +mp-650112,Fe3O4,-8.0432545405,-1.586566187,0.0593608702,0.056803058,GGA+U,Pbcm,A3B4_oP56_57_ac4d_4d2e:Fe-O,56.0,"Invalid WP multiplicities - A3B4_oP56_57_3a4c12d_15d13e:Fe-O, expected Fe19O41 to be Fe3O4" +mp-1192788,Fe3O4,-7.993829105,-1.5371407514,0.1087863057,0.1062284936,GGA+U,Pbcm,A3B4_oP28_57_de_cde:Fe-O,28.0,A3B4_oP28_57_de_cde:Fe-O +mp-31770,Fe3O4,-8.085351,-1.6286626464,0.0172644107,0.0147065986,GGA+U,Imma,A3B4_oI28_74_ace_hi:Fe-O,14.0,"Invalid WP multiplicities - A3B4_mC28_9_6a_6a:Fe-O, expected FeO to be Fe3O4" +mp-715558,Fe3O4,-8.024109125,-1.5674207714,0.0785062857,0.0759484736,GGA+U,R-3m,A3B4_hR42_166_acd_ch:Fe-O,28.0,A3B4_mP28_10_bcdhmno_2m2n2o:Fe-O +mp-611817,Fe3O4,-7.3970250164,-0.9403366629,0.7055903943,0.7030325821000001,GGA+U,F-43m,A3B4_cF56_216_abe_2e:Fe-O,14.0,A3B4_cF56_216_abe_2e:Fe-O +mp-19306,Fe3O4,-8.1026154107,-1.6459270571,0.0,-0.0025578121,GGA+U,Fd-3m,A3B4_cF56_227_ad_e:Fe-O,14.0,A3B4_cF56_227_ad_e:Fe-O +mp-1184320,Fe3O,-6.8193125537,0.7698755316,1.5109532988,1.5109532988,GGA+U,P6_3/mmc,A3B_hP8_194_h_c:Fe-O,8.0,A3B_hP8_194_h_c:Fe-O +mp-1194192,Nb4Rh2C,-9.5962041236,-0.4015610675,0.0274907721,0.0274907721,GGA,Fd-3m,AB4C2_cF112_227_c_df_e:C-Nb-Rh,28.0,AB4C2_cF112_227_c_df_e:C-Nb-Rh +mp-1207408,Zr5Si3N,-8.5796422322,-1.0962031028,0.0,-0.0081609383,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:N-Si-Zr,18.0,AB3C5_hP18_193_b_g_dg:N-Si-Zr +mp-1247129,Zr3Si6N11,-8.6749115777,-1.1800888655,0.2876705673,0.2876705673,GGA,P4bm,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Zr,40.0,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Zr +mp-1245364,Zr5(SiN3)3,-9.0518811146,-1.1670039637,0.4623273216,0.4623273216,GGA,Cmce,A9B3C5_oC136_64_3f3g_e2f_d2fg:N-Si-Zr,68.0,A9B3C5_oC136_64_3f3g_e2f_d2fg:N-Si-Zr +mp-7114,Ho3SnC,-3.925218212,1.4718745795,2.0006568153,2.0006568153,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ho-Sn,5.0,AB3C_cP5_221_a_c_b:C-Ho-Sn +mp-1018628,ScPt3C,-6.93287909,-0.1779721785,0.6540009985,0.6540009985,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pt-Sc,5.0,AB3C_cP5_221_b_c_a:C-Pt-Sc +mp-1198882,Y5RuBr9,-5.6902461952,-1.9846453234,0.0010833081,0.0010833081,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Br-Ru-Y,120.0,A9BC5_tI240_88_9f_f_5f:Br-Ru-Y +mp-1196369,Y4RuBr5,-6.0173913752,-1.7268485109,0.0,-0.0198322338,GGA,P4_2/nnm,A5BC4_tP80_134_k2mn_m_2mn:Br-Ru-Y,80.0,A5BC4_tP80_134_k2mn_m_2mn:Br-Ru-Y +mp-1093667,LaYTl2,-2.17814471,1.8537964179,2.24937182,2.24937182,GGA,Immm,AB2C_oI8_71_a_e_b:La-Tl-Y,4.0,AB2C_oI8_71_a_e_b:La-Tl-Y +mp-1178178,HoTmO3,-8.747621375,-3.9679592896,0.0960075911,0.0960075911,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ho-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Ho-O-Tm, expected HoTmO7 to be HoTmO3" +mp-1207091,Cu3RuN,-5.470571006,0.5111324890000001,0.5111324890000001,0.5111324890000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cu-N-Ru,5.0,A3BC_cP5_221_c_b_a:Cu-N-Ru +mp-752435,DyTmO3,-8.7484492565,-3.9639115771,0.0880620898,0.0880620898,GGA,Pnma,AB3C_oP20_62_c_cd_a:Dy-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Dy-O-Tm, expected DyTmO7 to be DyTmO3" +mp-1208148,ThGeI6,-3.7753995813,-1.1657640556,0.0573149753,0.0573149753,GGA,P-31c,AB6C_hP16_163_c_i_b:Ge-I-Th,16.0,AB6C_hP16_163_c_i_b:Ge-I-Th +mp-1215709,YZrFe4,-8.309470335,-0.1604275711,0.0111330833,0.0111330833,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Y-Zr,6.0,A4BC_cF24_216_e_a_c:Fe-Y-Zr +mp-1208213,ThGeO2,-7.7530282375,-2.2704623556,1.0060164213,1.0060164213,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ge-O-Th,16.0,AB2C_tI32_141_c_h_d:Ge-O-Th +mp-1208598,Th(GeO)2,-6.57995277,-1.2692944935,1.351888528,1.351888528,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:Ge-O-Th,20.0,A2B2C_tI40_141_h_h_c:Ge-O-Th +mp-4790,ThGeO4,-8.5616811367,-3.2577409783,0.0,-0.0344612622,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Ge-O-Th,12.0,AB4C_tI24_141_a_h_b:Ge-O-Th +mp-9756,ThGeO4,-8.5381804883,-3.23424033,0.0235006483,-0.0109606139,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ge-O-Th,12.0,AB4C_tI24_88_a_f_b:Ge-O-Th +mp-1246493,Ca3Sc3N5,-7.4832131864,-1.4198784973,0.1461617043,0.1461617043,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Sc,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Sc +mp-1247344,Ca3ScN3,-6.351059495,-1.0140947064,0.2506856246,0.2506856246,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ca-N-Sc,14.0,A3B3C_hP14_176_h_h_c:Ca-N-Sc +mp-1245447,Ca3Sc2N4,-7.1004901711,-1.3196326656,0.1292509197,0.1292509197,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Sc,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Sc +mp-1246427,Ca3Sc2N4,-7.0366187478,-1.2557612422,0.1931223431,0.1931223431,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Sc,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Sc +mp-867235,LiY2Ir,-6.48342159,-0.5633467717,0.0,-0.0266954682,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Y,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Y +mp-1218913,SmYSe2,-6.5671538475,-2.0229337966,0.0,-0.001860045,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Sm-Y,4.0,A2BC_hR12_166_c_a_b:Se-Sm-Y +mp-1218990,SmY4Se5,-6.812202916,-2.0058001183,0.001191791,0.001191791,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:Se-Sm-Y,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a4c_b_3c:Se-Sm-Y, expected Sm(Y2Se3)3 to be SmY4Se5" +mp-10867,PrPPd,-6.3581031333,-1.2334064428,0.0,-0.0987241887,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:P-Pd-Pr,6.0,ABC_hP6_194_c_d_a:P-Pd-Pr +mp-1206418,Pr(PPd)2,-6.15355486,-0.9600999823,0.0,-0.0402525557,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Pr,5.0,A2B2C_tI10_139_e_d_a:P-Pd-Pr +mp-1209430,Pr3(P3Pd10)2,-5.8800438459,-0.6931414836,0.0,-0.0422868925,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:P-Pd-Pr,29.0,A6B20C3_cF116_225_e_fh_ac:P-Pd-Pr +mp-1226503,CeSmB12,-6.9723315707,-0.486304675,0.0,-0.0010073107,GGA,P4/mmm,A12BC_tP14_123_iq_a_c:B-Ce-Sm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_2iq_a_c:B-Ce-Sm, expected CeSmB16 to be CeSmB12" +mp-1095320,LuBPt2,-6.8446103142,-1.0089580815,0.0,-0.0722374598,GGA,P6_222,ABC2_hP12_180_d_c_i:B-Lu-Pt,12.0,ABC2_hP12_180_d_c_i:B-Lu-Pt +mp-1105575,La5BPb3,-5.1669318667,-0.4450020327,0.1233672412,0.1233672412,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:B-La-Pb +mp-2647048,Ti2Te2C,-6.760758164,-0.4995059015,0.41100413,0.41100413,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-Te-Ti,5.0,AB2C2_hP5_164_a_d_d:C-Te-Ti +mp-631519,TlBCl2,-2.76619943,0.4185776294,1.5584537285,1.5584537285,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Cl-Tl,4.0,AB2C_cF16_216_a_bc_d:B-Cl-Tl +mp-1220650,Nb4B20Mo11,-8.9051428057,-0.5252797547,0.0366075656,0.0366075656,GGA,Immm,A20B11C4_oI70_71_5e5f_a5f_2e:B-Mo-Nb,35.0,"Invalid WP multiplicities - A20B11C4_oI70_71_9e9f_a9f_3e:B-Mo-Nb, expected Nb6B36Mo19 to be Nb4B20Mo11" +mp-1079120,Nb(BMo)2,-9.452038429,-0.4217606687,0.099974597,0.099974597,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:B-Mo-Nb,10.0,A2B2C_tP10_127_g_h_a:B-Mo-Nb +mp-1220383,NbB4Mo3,-9.2331463638,-0.5636685571,0.0054172519,0.0054172519,GGA,Amm2,A4B3C_oC16_38_abc_ac_b:B-Mo-Nb,8.0,A4B3C_oC16_38_abc_ac_b:B-Mo-Nb +mp-1206490,Nb2B2Mo,-9.523091422,-0.6416826757,0.0,-0.025971654,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Mo-Nb,10.0,A2BC2_tP10_127_g_a_h:B-Mo-Nb +mp-1227447,Fe5GeP,-7.6511506345,-0.1673740043,0.089001081,0.089001081,GGA,Cm,A5BC_mC84_8_10a10b_4ab_3b:Fe-Ge-P,42.0,A5BC_mC84_8_10a10b_4ab_3b:Fe-Ge-P +mp-1188615,TmB2Ru,-7.4291699169,-0.6519145406,0.0,-0.0144919033,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ru-Tm,16.0,A2BC_oP16_62_d_c_c:B-Ru-Tm +mp-1196973,Tm2B6Ru,-7.2012009169,-0.7231538045,0.0,-0.0695631808,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Ru-Tm,36.0,A6BC2_oP36_55_6h_g_2g:B-Ru-Tm +mp-971813,TmB4Ru,-7.3988927525,-0.6542585781,0.0,-0.0404169935,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ru-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Ru-Tm +mp-5620,TmB2Ru3,-8.0947941067,-0.4851563425,0.0,-0.0140686867,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Tm,6.0,A2B3C_hP6_191_c_g_a:B-Ru-Tm +mp-1197448,Tm(BRu)4,-8.0892641256,-0.5013738293000001,0.0,-0.0561032831,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Tm,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Tm +mp-1191927,CeCrB4,-7.6430084458,-0.5923911611,0.0014546262,0.0014546262,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ce-Cr,24.0,A4BC_oP24_55_4h_g_g:B-Ce-Cr +mp-2873,Ce(CrB3)2,-7.8747020344,-0.6174203989,0.0,-0.0333542722,GGA,Immm,A6BC2_oI18_71_en_c_g:B-Ce-Cr,9.0,"Invalid WP multiplicities - A6BC2_oI18_71_e2n_c_g:B-Ce-Cr, expected Ce(CrB5)2 to be Ce(CrB3)2" +mp-1079198,Sm(CrB3)2,-7.6753646867,-0.5530278311,0.0065646703,0.0065646703,GGA,Immm,A6B2C_oI18_71_en_g_c:B-Cr-Sm,9.0,A6B2C_oI18_71_en_g_c:B-Cr-Sm +mp-1191882,SmCrB4,-7.4292459313,-0.5810458165,0.0,-0.0267079054,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Sm,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Sm +mp-865659,Y2ZnIr,-6.38655696,-0.6287769558,0.016318814,0.016318814,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-Y-Zn +mp-1222695,LaYMg4,-3.0700896483,-0.1028232453,0.02244827,0.02244827,GGA,F-43m,AB4C_cF24_216_a_e_c:La-Mg-Y,6.0,AB4C_cF24_216_a_e_c:La-Mg-Y +mp-1028046,LaYMg14,-2.1050960325,0.0078038999,0.0757966943,0.0757966943,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Y, expected LaYMg18 to be LaYMg14" +mp-1028035,LaYMg14,-2.1002748756,0.0126250568,0.0806178512,0.0806178512,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Y, expected LaYMg26 to be LaYMg14" +mp-1022836,LaYMg6,-2.6689843506,-0.0434645358,0.0681906431,0.0681906431,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Y, expected LaYMg12 to be LaYMg6" +mp-1022924,LaYMg6,-2.7072287775,-0.0817089627,0.0299462162,0.0299462162,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:La-Mg-Y +mp-1222754,LaYMg6,-2.730832825,-0.1053130102,0.0063421687,0.0063421687,GGA,R-3m,AB6C_hR24_166_a_3c_b:La-Mg-Y,8.0,"Invalid WP multiplicities - AB6C_hR24_166_a_4c_b:La-Mg-Y, expected LaYMg8 to be LaYMg6" +mp-1185136,LaYMg2,-3.7516965825,-0.1009370029,0.0095554625,0.0095554625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Mg-Y,4.0,AB2C_cF16_225_a_c_b:La-Mg-Y +mp-1202732,Pd2(RhS)15,-6.3295262712,-0.614803469,0.0318313813,0.0318313813,GGA,Pm-3m,A2B15C15_cP64_221_ac_fm_eij:Pd-Rh-S,64.0,A2B15C15_cP64_221_ac_fm_eij:Pd-Rh-S +mp-1195438,AlB7Pd15,-5.829254491,-0.2553612138,0.078695696,0.078695696,GGA,Ia-3d,AB7C15_cI368_230_a_bfg_g2h:Al-B-Pd,184.0,AB7C15_cI368_230_a_bfg_g2h:Al-B-Pd +mp-1193579,Ba(TmS2)2,-6.3409538289,-2.4243187926,0.0,-0.0600035752,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-S-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-S-Tm +mp-1188862,La(HoS2)3,-6.7722758155000005,-2.4220825239,0.0,-0.0140215239,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Ho-La-S,20.0,A3BC6_mP20_11_3e_e_6e:Ho-La-S +mp-1200097,LaHoS3,-6.8313278955,-2.4457747804,0.0004018682,0.0004018682,GGA,P2_1/m,ABC3_mP40_11_4e_4e_12e:Ho-La-S,40.0,ABC3_mP40_11_4e_4e_12e:Ho-La-S +mp-1199201,La4(HoS2)11,-6.7535906168,-2.3981197232,0.0183567568,0.0183567568,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Ho-La-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Ho-La-S +mp-1105614,NdScS3,-7.004041709,-2.3020484814,0.0,-0.014165633,GGA,Pnma,AB3C_oP20_62_c_cd_a:Nd-S-Sc,20.0,AB3C_oP20_62_c_cd_a:Nd-S-Sc +mp-1206214,Y2(SiIr)3,-6.25604735,0.7094775071,1.7931309503,1.7931309503,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Y,8.0,A3B3C2_tP8_123_ag_bg_g:Ir-Si-Y +mp-1207756,Y4Si5Ir9,-8.3345883994,-0.9713449426,0.0,-0.007031235,GGA,P6_3/mmc,A9B5C4_hP36_194_hk_aef_2f:Ir-Si-Y,36.0,A9B5C4_hP36_194_hk_aef_2f:Ir-Si-Y +mp-1202645,Y5(Si5Ir2)2,-7.2775101895,-0.8596537375000001,0.0178444324,0.0178444324,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Y,38.0,A4B10C5_tP38_127_i_gij_a2h:Ir-Si-Y +mp-1102268,YSiIr,-7.9773505242,-1.0672760831,0.0,-0.0808209712,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Y,12.0,ABC_oP12_62_c_c_c:Ir-Si-Y +mp-3896,Y(SiIr)2,-8.064839257,-1.0660441503,0.027435709,-0.121564666,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-Si-Y,10.0,A2B2C_tP10_129_ac_bc_c:Ir-Si-Y +mp-4653,Y(SiIr)2,-8.092274966,-1.0934798593,0.0,-0.149000375,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ir-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Ir-Si-Y +mp-1068635,Y(SiIr)2,-7.896656144,-0.8978610373,0.195618822,0.046618447,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ir-Si-Y,5.0,A2B2C_tI10_139_e_d_a:Ir-Si-Y +mp-1068587,YSi3Ir,-7.101415782,-0.7852439053,0.0,-0.0443783823,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ir-Si-Y,5.0,AB3C_tI10_107_a_ab_a:Ir-Si-Y +mp-1207633,YSiIr2,-8.3753136075,-0.9831492317,0.0058644725,0.0058644725,GGA,P6_3/mmc,A2BC_hP24_194_k_abc_df:Ir-Si-Y,24.0,A2BC_hP24_194_k_abc_df:Ir-Si-Y +mp-1189012,Y2Si5Ir3,-7.6054554905,-0.9479719988,0.0,-0.0086101165,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ir-Si-Y,20.0,A3B5C2_oI40_72_aj_bfj_j:Ir-Si-Y +mp-1220404,NbMoS4,-7.5090087933,-1.2602163571,0.0151476108,0.0151476108,GGA,Pm,ABC4_mP6_6_a_b_2a2b:Mo-Nb-S,6.0,ABC4_mP6_6_a_b_2a2b:Mo-Nb-S +mp-1220398,NbMoS3,-7.854546694,-1.1832857439,0.064946138,0.064946138,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Mo-Nb-S,10.0,ABC3_mP10_11_e_e_3e:Mo-Nb-S +mp-1103562,Nb(Mo3S4)2,-8.1001351853,-0.8823482097,0.1345068337,0.1345068337,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Nb-S,15.0,A6BC8_hR45_148_f_a_cf:Mo-Nb-S +mp-10706,ZrRu3C,-9.44637781,-0.3264630615,0.0,-0.004848054,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Zr,5.0,AB3C_cP5_221_b_c_a:C-Ru-Zr +mp-1212129,HoHfF7,-7.4273370044,-4.3251202631,0.0,-0.0476930307,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Ho,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Ho +mp-1093614,Ta2NbW,-6.60295855,5.0907890825,5.1290746625,5.1290746625,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ta-W,4.0,AB2C_oI8_71_a_e_b:Nb-Ta-W +mp-1217901,TaNbW,-11.6819169967,-0.04284603,0.0021771133,0.0021771133,GGA,Fmm2,ABC_oF12_42_a_a_a:Nb-Ta-W,3.0,ABC_oF12_42_a_a_a:Nb-Ta-W +mp-1096421,TaNbW2,-6.76898732,5.1998484625,5.2618490325,5.2618490325,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Ta-W,4.0,ABC2_oI8_71_a_b_e:Nb-Ta-W +mp-1093977,TaNb2W,-6.365275885,4.8893536,4.9231209575,4.9231209575,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ta-W,4.0,A2BC_oI8_71_e_a_b:Nb-Ta-W +mp-1184424,DyYIn2,-4.618102215,-0.4739458617,0.0,-0.00311999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-In-Y,4.0,AB2C_cF16_225_a_c_b:Dy-In-Y +mp-1214989,Ba3PtF12,-4.6803647037000005,-2.5075018444,0.4731346177,0.4731346177,GGA,C2/m,A3B12C_mC32_12_ce_3j_a:Ba-F-Pt,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_c:Ba-F-Pt, expected Ba3PtF40 to be Ba3PtF12" +mp-1246238,Co3(BiN2)2,-6.5723351722,0.3556549772,0.4049101372,0.4049101372,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Bi-Co-N,18.0,A2B3C4_mC36_15_f_ef_2f:Bi-Co-N +mp-1247429,Co3Bi3N5,-6.4004126564,0.3749414709,0.4152411473,0.4152411473,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Bi-Co-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Bi-Co-N +mp-27741,TeAuI,-3.0525693833,-0.4223846356,0.0,-0.0461156838,GGA,P2_1/c,ABC_mP12_14_e_e_e:Au-I-Te,12.0,ABC_mP12_14_e_e_e:Au-I-Te +mp-27527,Te2AuI,-3.1772736925,-0.4188086583,0.0,-0.0162915724,GGA,Pmma,ABC2_oP8_51_a_e_j:Au-I-Te,8.0,ABC2_oP8_51_a_e_j:Au-I-Te +mp-1247095,Sr3AuN3,-5.1474371486,-0.3828875579,0.3555356162,0.3555356162,GGA,P2_1/m,AB3C3_mP14_11_e_3e_3e:Au-N-Sr,14.0,"Invalid WP multiplicities - AB3C3_mP14_11_e_6e_6e:Au-N-Sr, expected Sr6AuN6 to be Sr3AuN3" +mp-1246903,Sr3(AuN2)2,-5.3652946156,-0.3694919422,0.3656658978,0.3656658978,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Au-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Au-N-Sr +mp-30317,Sr2AuN,-4.4738248825,-0.7264839246,0.0152761659,0.0152761659,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Au-N-Sr,8.0,ABC2_oC16_63_c_c_2c:Au-N-Sr +mp-1220640,Nd2UTe5,-5.9412759456,-1.3732466529,0.0596638028,0.0596638028,GGA,Pmm2,A2B5C_oP16_25_a3d_3a3bc3d_2a:Nd-Te-U,16.0,A2B5C_oP16_25_a3d_3a3bc3d_2a:Nd-Te-U +mp-33312,Nd2UTe4,-6.1484157743,-1.3768545674,0.0636377117,0.0636377117,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-Te-U,14.0,A2B4C_tI28_122_d_e_a:Nd-Te-U +mp-1220117,NdUTe6,-5.4454774625,-1.0805533622,0.0011579363,0.0011579363,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Nd-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Nd-Te-U +mp-1100439,YSeBr,-5.2562004367,-1.4177301297,0.8503242744,0.8503242744,GGA,F-43m,ABC_cF12_216_a_c_b:Br-Se-Y,3.0,ABC_cF12_216_a_c_b:Br-Se-Y +mp-1245854,SrIrN2,-7.0489265769,-0.248697206,0.3017832581,0.3017832581,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Ir-N-Sr,16.0,AB2C_mP16_14_e_2e_e:Ir-N-Sr +mp-1246608,SrIrN2,-6.8603268788000005,-0.0600975079,0.4903829562,0.4903829562,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ir-N-Sr,8.0,AB2C_tP8_129_c_ac_c:Ir-N-Sr +mp-1245379,Sr7IrN6,-5.5957390548,-0.5468920617,0.1299203673,0.1299203673,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Ir-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:Ir-N-Sr +mp-1246306,Sr3(IrN2)2,-6.5574936972,-0.3251238728,0.2646486613,0.2646486613,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Ir-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Ir-N-Sr +mp-1246636,Sr3(IrN2)2,-6.5927585714,-0.3603887469,0.2293837871,0.2293837871,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Ir-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Ir-N-Sr +mp-1246708,Sr5(IrN3)2,-6.4027723988,-0.5455950776,0.1016344422,0.1016344422,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Ir-N-Sr,26.0,A2B6C5_mC52_15_f_3f_e2f:Ir-N-Sr +mp-1029741,Sr3IrN3,-6.2250636771,-0.6655780607,0.0,-0.0464869146,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ir-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Ir-N-Sr +mp-1245587,Sr3Ir3N5,-6.9982156968,-0.3376468309,0.2038858226,0.2038858226,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ir-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Ir-N-Sr +mp-1245704,Sr2IrN3,-6.64537208,-0.4408877697,0.1849351189,0.1849351189,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ir-N-Sr,24.0,AB3C2_mC48_15_f_2e2f_2f:Ir-N-Sr +mp-1245476,Sr10IrN8,-5.4132634416,-0.5487724882,0.1293036218,0.1293036218,GGA,C2/m,AB8C10_mC38_12_a_4i_5i:Ir-N-Sr,19.0,AB8C10_mC38_12_a_4i_5i:Ir-N-Sr +mp-1245498,Sr4IrN4,-5.9680718444,-0.5300287674,0.1441158906,0.1441158906,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ir-N-Sr,18.0,AB4C4_aP18_2_i_4i_4i:Ir-N-Sr +mp-1245600,Sr4IrN4,-5.9272901289,-0.4892470519,0.1848976061,0.1848976061,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:Ir-N-Sr,36.0,AB4C4_oP36_62_c_4c_4c:Ir-N-Sr +mp-1219170,Sm2P3Pt4,-6.6457439144,-1.0944535733,0.0004461903,0.0004461903,GGA,I-4m2,A3B4C2_tI18_119_af_ef_f:P-Pt-Sm,9.0,A3B4C2_tI18_119_af_ef_f:P-Pt-Sm +mp-570141,Sm2(PPt2)3,-6.6359604291,-0.9901531827,0.0,-0.0703586197,GGA,I4_1/amd,A3B6C2_tI44_141_ae_3e_e:P-Pt-Sm,22.0,"Invalid WP multiplicities - A3B6C2_tI44_141_2a3e_9e_e:P-Pt-Sm, expected SmP4Pt9 to be Sm2(PPt2)3" +mp-10738,SmPPt,-6.74292354,-1.3419162194,0.0,-0.0948348619,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Sm,3.0,ABC_hP3_187_a_c_f:P-Pt-Sm +mp-1025161,InPPd5,-5.4243980729,-0.558055889,0.0,-0.0630457707,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:In-P-Pd,7.0,ABC5_tP7_123_c_b_ai:In-P-Pd +mp-28336,Li3P7,-4.72156061,-0.3595719953,0.0,-0.0325925193,GGA,P2_12_12_1,A3B7_oP40_19_3a_7a:Li-P,40.0,A3B7_oP40_19_3a_7a:Li-P +mp-27687,LiP7,-5.130495177,-0.1552401254,0.0,-0.0054184606,GGA,I4_1/acd,AB7_tI128_142_f_e3g:Li-P,64.0,AB7_tI128_142_f_e3g:Li-P +mp-9588,LiP,-4.1843657063,-0.5232530196,0.0,-0.0139027613,GGA,P2_1/c,AB_mP16_14_2e_2e:Li-P,16.0,AB_mP16_14_2e_2e:Li-P +mp-1096567,LiPRh2,-3.711583875,1.8011264033,2.4248339378,2.4248339378,GGA,Immm,ABC2_oI8_71_a_b_e:Li-P-Rh,4.0,ABC2_oI8_71_a_b_e:Li-P-Rh +mp-2412,LiP5,-5.0227164308,-0.1934771975,0.0104133731,0.0104133731,GGA,Pna2_1,AB5_oP24_33_a_5a:Li-P,24.0,AB5_oP24_33_a_5a:Li-P +mp-32760,LiP5,-4.9368231979,-0.1075839646,0.096306606,0.096306606,GGA,Pna2_1,AB5_oP24_33_a_5a:Li-P,24.0,"Invalid WP multiplicities - AB5_oP24_33_a_16a:Li-P, expected LiP16 to be LiP5" +mp-1025406,LiP3,-4.183109895,0.3540977017,0.6552891627,0.6552891627,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Li-P,8.0,AB3_hP8_194_c_bf:Li-P +mp-736,Li3P,-3.4815908638,-0.6965730871,0.0,-0.4349465773,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Li-P,8.0,A3B_hP8_194_bf_c:Li-P +mp-1224964,Gd4Cu5P7,-7.9732337519,-0.8048812608,0.0255029324,0.0255029324,GGA,I-42m,A5B4C7_tI32_121_ade_i_bci:Cu-Gd-P,16.0,A5B4C7_tI32_121_ade_i_bci:Cu-Gd-P +mp-1213788,CeTmO3,-8.914985164,-3.8651870216,0.0668438009,0.0668438009,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ce-O-Tm,20.0,AB3C_oP20_62_c_cd_a:Ce-O-Tm +mp-1198929,Tb2ReB6,-7.4716359097,-0.6061236864,0.0,-0.0183455396,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Re-Tb,36.0,A6BC2_oP36_55_6h_g_2g:B-Re-Tb +mp-972380,Tb3ReB7,-7.2349764064,-0.5892156899000001,0.0,-0.0214265366,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Re-Tb,22.0,A7BC3_oC44_63_c3f_c_cf:B-Re-Tb +mp-1192121,TbReB4,-7.8822014054,-0.582791344,0.0,-0.0212361285,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Re-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Re-Tb +mp-3693,HoBPd3,-5.9912637140000005,-0.6309744998,0.1129431821,0.1129431821,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ho-Pd,5.0,ABC3_cP5_221_b_a_c:B-Ho-Pd +mp-1200455,Dy6Al43W4,-4.8149878628,-0.2766293223,0.0,-0.0083130266,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-W +mp-631545,LiBBr2,-2.5134644825,0.4101283419,1.6792038535,1.6792038535,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Br-Li,4.0,AB2C_cF16_216_a_bc_d:B-Br-Li +mp-1190970,Dy3ReB7,-7.2491819386,-0.6109428386,0.0,-0.0214718214,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Dy-Re,22.0,A7B3C_oC44_63_c3f_cf_c:B-Dy-Re +mp-1204645,Dy2ReB6,-7.4862921122,-0.6269086133,0.0,-0.0257914811,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Dy-Re,36.0,A6B2C_oP36_55_6h_2g_g:B-Dy-Re +mp-1190368,DyReB4,-7.8852228642,-0.5904093461000001,0.0,-0.0132654354,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Re,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Re +mp-1221871,Mn5BPd15,-6.4341519986,-0.2347379328,0.0098985893,0.0098985893,GGA,P4/mmm,AB5C15_tP21_123_b_c2h_ae2g2i:B-Mn-Pd,21.0,"Invalid WP multiplicities - AB5C15_tP21_123_b_c3h_a2e3g6i:B-Mn-Pd, expected Mn7BPd35 to be Mn5BPd15" +mp-1093546,Y2AlHg,-2.1834368375,2.0621127679,2.5317629352,2.5317629352,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Al-Hg-Y +mp-776116,AlPdO3,-6.687652707,-1.9345479523,0.1935755733,0.1935755733,GGA,C2/c,AB3C_mC40_15_f_3f_2e:Al-O-Pd,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_9f_3e:Al-O-Pd, expected Al2(PdO6)3 to be AlPdO3" +mp-1178574,AlPdO3,-6.726789122,-1.9736843672,0.1544391583,0.1544391583,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Al-O-Pd,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_b2f_a:Al-O-Pd, expected AlPdO5 to be AlPdO3" +mp-1097479,CaYZn2,-1.0744192175,1.6734703358,1.9806068138,1.9806068138,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Ca-Y-Zn +mp-1183583,CaYZn2,-3.0531444375,-0.3052548842,0.0018815938,0.0018815938,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Y-Zn +mp-21244,Cr3RhN,-9.23797004,-0.305980999,0.0266332227,0.0266332227,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cr-N-Rh,5.0,A3BC_cP5_221_c_b_a:Cr-N-Rh +mp-1246142,Ti4Te3N2,-7.5226371672,-1.1132065454,0.2721436778,0.2721436778,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-Te-Ti,36.0,A2B3C4_oP36_62_d_cd_2cd:N-Te-Ti +mp-1216613,U2(SiGe)3,-6.8878099063,-0.2968276969,0.0262776587,0.0262776587,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Ge-Si-U,8.0,A3B3C2_oP8_47_aj_bgh_k:Ge-Si-U +mp-1246160,Ti(InN)4,-5.962245335,-0.156889042,0.3172335444,0.3172335444,GGA,P-1,A4B4C_aP18_2_4i_4i_i:In-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:In-N-Ti +mp-21233,Ti3InN,-7.887028328,-0.932097387,0.006211866,0.006211866,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Ti,5.0,ABC3_cP5_221_a_b_c:In-N-Ti +mp-1025517,Ti2InN,-7.87648836,-1.1566976879,0.0,-0.0783704625,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:In-N-Ti,8.0,ABC2_hP8_194_c_a_f:In-N-Ti +mp-1227235,CaCdS2,-4.358399675,-1.5580523316,0.0838338762,0.0838338762,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Cd-S,4.0,ABC2_hR12_166_a_b_c:Ca-Cd-S +mp-1183149,BAu,-4.1361885825,0.8404483029,0.8404483029,0.8404483029,GGA,P6_3mc,AB_hP4_186_b_b:Au-B,4.0,AB_hP4_186_b_b:Au-B +mp-10681,B2Au,-4.8755740767,0.6686477706,0.6686477706,0.6686477706,GGA,P6/mmm,AB2_hP3_191_a_d:Au-B,3.0,AB2_hP3_191_a_d:Au-B +mp-1183146,BAu3,-3.24831536,0.8769440827,0.8769440827,0.8769440827,GGA,Fm-3m,A3B_cF16_225_ac_b:Au-B,4.0,A3B_cF16_225_ac_b:Au-B +mp-631562,SiBAu,-4.2228764167,0.9033208503,0.9211999394,0.9211999394,GGA,F-43m,ABC_cF12_216_a_b_c:Au-B-Si,3.0,ABC_cF12_216_a_b_c:Au-B-Si +mp-1194208,Sr(YbS2)2,-5.0327568629,-1.987826937,0.1801253582,0.1801253582,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:S-Sr-Yb,,A4BC2_oP28_62_4c_c_2c:S-Sr-Yb +mp-675445,Sr(YbS2)2,-4.925517065,-1.8805871392,0.2873651561,0.2873651561,GGA,I-42d,A4BC2_tI28_122_e_a_d:S-Sr-Yb,,A4BC2_tI28_122_e_a_d:S-Sr-Yb +mp-21035,Sc3PbC,-7.06481369,-0.6770697145,0.0,-0.200872984,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Sc,5.0,ABC3_cP5_221_b_a_c:C-Pb-Sc +mp-1105712,Er5Ge3C,-5.8426569133,-0.7386187903,0.0,-0.0043670452,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Er-Ge,18.0,AB5C3_hP18_193_b_dg_g:C-Er-Ge +mp-570423,Ba6Pr3I19,-3.865827788,-1.9425946611,0.0,-0.0006941885,GGA,C2/c,A6B19C3_mC112_15_3f_e9f_ef:Ba-I-Pr,56.0,"Invalid WP multiplicities - A6B19C3_mC112_15_11f_2e34f_e2f:Ba-I-Pr, expected Ba22(PrI14)5 to be Ba6Pr3I19" +mp-19769,Tb3InN,-6.0555647,-1.057309309,0.0,-0.113148612,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Tb,5.0,ABC3_cP5_221_a_b_c:In-N-Tb +mp-1189121,U3CrSb5,-7.4759702261,-0.3457164817,0.0,-0.0049153442,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cr-Sb-U,18.0,AB5C3_hP18_193_b_dg_g:Cr-Sb-U +mp-1207952,U5CrSb3,-8.7758404683,-0.0539403306,0.1679248169,0.1679248169,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cr-Sb-U,18.0,AB3C5_hP18_193_b_g_dg:Cr-Sb-U +mp-1097242,YScAu2,-3.30386453,1.5328115246,2.3796999575,2.3796999575,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Au-Sc-Y +mp-1211375,KSr2Br5,-3.9708998038,-2.4390838658,0.0,-0.000626555,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-K-Sr,32.0,A5BC2_mP32_14_5e_e_2e:Br-K-Sr +mp-1225305,EuPaO4,-10.4344511733,-3.8413809558,0.0023514817,-0.4760899434,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Eu-O-Pa,6.0,AB4C_tP6_123_a_i_d:Eu-O-Pa +mp-676409,EuPaO4,-10.436802655,-3.8437324375,0.0,-0.4784414251,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Eu-O-Pa,12.0,AB4C_tI24_141_a_f_b:Eu-O-Pa +mp-1105777,U3Sb4Ir3,-8.179839758,-0.489286005,0.006415973,0.006415973,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Ir-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Ir-Sb-U +mp-1208369,TbPtF7,-5.5987572100000005,-2.9225514108,0.0,-0.0645606139,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Pt-Tb,36.0,A7BC_mP36_14_7e_e_e:F-Pt-Tb +mp-1245942,Mn2PbN2,-7.722737278,0.0191962228,0.401736612,0.401736612,GGA,I4/mcm,A2B2C_tI20_140_h_h_a:Mn-N-Pb,10.0,A2B2C_tI20_140_h_h_a:Mn-N-Pb +mp-1246913,Mn(PbN)2,-6.527948416,0.1241114404,0.315381635,0.315381635,GGA,C2/m,AB2C2_mC10_12_a_i_i:Mn-N-Pb,5.0,AB2C2_mC10_12_a_i_i:Mn-N-Pb +mp-1247021,Mn(PbN)4,-6.1557467711000005,0.217429148,0.3236903672,0.3236903672,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Mn-N-Pb,18.0,AB4C4_aP18_2_i_4i_4i:Mn-N-Pb +mp-1246503,Mn(PbN)3,-6.19215289,0.2806244353,0.4172460029,0.4172460029,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Mn-N-Pb,14.0,AB3C3_hP14_176_c_h_h:Mn-N-Pb +mp-1246959,Mn2Pb3N4,-6.9046668392,0.073994438,0.2865168764,0.2865168764,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Mn-N-Pb,36.0,A2B4C3_oP36_52_cd_2e_ce:Mn-N-Pb +mp-1246911,MnPbN2,-7.402849555,-0.015936502,0.2231512412,0.2231512412,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Pb,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Pb +mp-1247334,MnPbN2,-7.3447883313,0.0421247218,0.281212465,0.281212465,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Mn-N-Pb,8.0,AB2C_tP8_129_c_ac_c:Mn-N-Pb +mp-1247125,Mn3Pb3N5,-7.3045441695,-0.0039567413,0.2568662514,0.2568662514,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Mn-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Mn-N-Pb +mp-1245542,Mn3Pb8N9,-6.367856447,0.2429273911,0.386380037,0.386380037,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Pb,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Pb +mp-1216701,UCrNi,-8.8796265333,0.02857152,0.1795270716,0.1795270716,GGA,Imma,ABC_oI12_74_a_c_e:Cr-Ni-U,6.0,ABC_oI12_74_a_c_e:Cr-Ni-U +mp-1095786,Mn2GeW,-5.5960117675,3.3802853998,3.4717990463,3.4717990463,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Mn-W,4.0,AB2C_oI8_71_a_e_b:Ge-Mn-W +mp-1097563,TaReW2,-7.227600425,5.3270408938,5.4659963556,5.4659963556,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Ta-W,4.0,ABC2_oI8_71_a_b_e:Re-Ta-W +mp-1187208,Ta2ReW,-12.5574640925,-0.2779109237,0.0,-0.1084955,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Ta-W,4.0,AB2C_cF16_225_a_c_b:Re-Ta-W +mp-1079126,Eu2FeH6,-6.1140117533,-0.6317471889,0.0,-0.1592374283,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Eu-Fe-H,9.0,A2BC6_cF36_225_c_a_e:Eu-Fe-H +mp-1247316,TaPb2N3,-7.7005932475,-0.31850049,0.2466516994,0.2466516994,GGA,C2/c,A3B2C_mC48_15_2e2f_2f_f:N-Pb-Ta,24.0,A3B2C_mC48_15_2e2f_2f_f:N-Pb-Ta +mp-1190582,Mg6NbH16,-3.389222737,-0.1724139517,0.1023684139,0.1023684139,GGA,Fm-3m,A16B6C_cF92_225_2f_d_a:H-Mg-Nb,23.0,A16B6C_cF92_225_2f_d_a:H-Mg-Nb +mp-1222231,Mg13(NbH16)2,-3.3961419972,-0.2137274404,0.0740005764,0.0740005764,GGA,P4/mmm,A32B13C2_tP47_123_2s2t_aefr_bc:H-Mg-Nb,47.0,"Invalid WP multiplicities - A32B13C2_tP47_123_14s14t_a2e2f2r_bc:H-Mg-Nb, expected Mg25(NbH112)2 to be Mg13(NbH16)2" +mp-1191131,Mg7NbH16,-3.3907778629,-0.2413244417,0.0588098242,0.0588098242,GGA,Fm-3m,A16B7C_cF96_225_2f_ad_b:H-Mg-Nb,24.0,A16B7C_cF96_225_2f_ad_b:H-Mg-Nb +mp-1207511,Zr6FeI14,-5.0446535171,-1.2168747605,0.0,-0.041486561,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:Fe-I-Zr,42.0,AB14C6_oC84_64_a_def2g_fg:Fe-I-Zr +mp-567197,YSnAu,-5.4141044317,-0.8307961089,0.0,-0.0949930908,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Sn-Y,6.0,ABC_hP6_186_b_b_a:Au-Sn-Y +mp-1072286,YSnAu,-5.3244713667,-0.7411630439,0.089633065,-0.0053600258,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-Sn-Y,6.0,ABC_hP6_194_c_d_a:Au-Sn-Y +mp-865514,YSnAu2,-4.9482304875,-0.6922787454,0.0,-0.0084424663,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Sn-Y,4.0,A2BC_cF16_225_c_a_b:Au-Sn-Y +mp-1207749,Y2SnAu2,-5.316020079,-0.6179644627,0.234783894,0.234783894,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Au-Sn-Y,10.0,A2BC2_tP10_127_h_a_g:Au-Sn-Y +mp-1105850,Y2SnAu2,-5.5403667925,-0.8423111762000001,0.0104371805,0.0104371805,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Au-Sn-Y,20.0,A2BC2_tP20_136_j_d_fg:Au-Sn-Y +mp-1080463,HfPOs,-9.7487502911,-0.8827973022000001,0.0,-0.0203878394,GGA,P-62m,ABC_hP9_189_f_g_ad:Hf-Os-P,9.0,ABC_hP9_189_f_g_ad:Hf-Os-P +mp-1223195,La2UTe5,-6.0691470475,-1.4591528367,0.0613533423,0.0613533423,GGA,C2,A2B5C_mC32_5_2c_2a4c_c:La-Te-U,16.0,"Invalid WP multiplicities - A2B5C_mC32_5_4c_2a8c_c:La-Te-U, expected La4UTe9 to be La2UTe5" +mp-33533,La2UTe4,-6.3108609771,-1.4913398638,0.0492618133,0.0492618133,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-Te-U,14.0,A2B4C_tI28_122_d_e_a:La-Te-U +mp-1222839,LaUTe6,-5.5128726863,-1.1269661269,0.0,-0.0042925375,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:La-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:La-Te-U +mp-1207056,YSbPd,-6.4495047467,-1.1910533589,0.0,-0.1726885015,GGA,F-43m,ABC_cF12_216_c_a_b:Pd-Sb-Y,3.0,ABC_cF12_216_c_a_b:Pd-Sb-Y +mp-1215892,YSbPd,-5.6934061667,-0.4349547789,0.75609858,0.5834100785,GGA,F-43m,ABC_cF12_216_a_b_c:Pd-Sb-Y,3.0,ABC_cF12_216_a_b_c:Pd-Sb-Y +mp-1207717,Y5SbPd2,-6.6325262638,-0.7798862104000001,0.0247677062,0.0247677062,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pd-Sb-Y,16.0,A2BC5_tI32_140_h_a_cl:Pd-Sb-Y +mp-1207804,Y3(SbPd2)4,-5.996066988,-0.839102136,0.0370862512,0.0370862512,GGA,Fm-3m,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Y,30.0,A8B4C3_cF120_225_2f_abd_e:Pd-Sb-Y +mp-1215895,YSbPd2,-5.9297016275,-0.6908926342,0.2844540831,0.2844540831,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Pd-Sb-Y,4.0,A2BC_tP4_123_h_a_b:Pd-Sb-Y +mp-865513,YSbPd2,-6.09748224,-0.8586732467,0.1166734706,0.1166734706,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sb-Y,4.0,A2BC_cF16_225_c_a_b:Pd-Sb-Y +mp-1209823,Ni2PPd,-6.0202819987,-0.4819175796,0.0,-0.0284047298,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ni-P-Pd,8.0,A2BC_oC16_63_f_c_c:Ni-P-Pd +mp-1087499,NiPPd,-5.9140975933,-0.4563239278,0.0225737807,0.0225737807,GGA,P-62m,ABC_hP9_189_f_bc_g:Ni-P-Pd,9.0,ABC_hP9_189_f_bc_g:Ni-P-Pd +mp-1096270,Y2AlPb,-3.052555155,2.0452361267,2.601766601,2.601766601,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Al-Pb-Y +mp-1193665,Hf9BOs4,-10.4963606054,-0.4103918367,0.1037043261,0.1037043261,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:B-Hf-Os,28.0,AB9C4_hP28_194_c_hk_ah:B-Hf-Os +mp-10503,MgB4Os3,-7.9764658662,-0.2264721883,0.0,-0.0063746464,GGA,Cmcm,A4BC3_oC32_63_2cf_a_cf:B-Mg-Os,16.0,"Invalid WP multiplicities - A4BC3_oC32_63_2cf_a_c2f:B-Mg-Os, expected MgB4Os5 to be MgB4Os3" +mp-9306,Sr2ZnN2,-4.970875432,-0.7085313587000001,0.0,-0.1163888294,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:N-Sr-Zn,5.0,A2B2C_tI10_139_e_e_a:N-Sr-Zn +mp-1245409,Sr5ZnN4,-4.7797348634,-0.4744158057,0.2206570821,0.2206570821,GGA,P2_1/m,A4B5C_mP80_11_4e6f_a5e7f_2ef:N-Sr-Zn,80.0,A4B5C_mP80_11_4e6f_a5e7f_2ef:N-Sr-Zn +mp-1246346,Sr(ZnN)2,-4.5585123013,-0.3821181967,0.0831689204,0.0831689204,GGA,C2/m,A2BC2_mC30_12_ij_ah_ij:N-Sr-Zn,15.0,A2BC2_mC30_12_ij_ah_ij:N-Sr-Zn +mp-1246713,Sr(ZnN)2,-4.451206019,-0.2748119143,0.1904752028,0.1904752028,GGA,I4/mcm,A2BC2_tI20_140_h_a_h:N-Sr-Zn,10.0,A2BC2_tI20_140_h_a_h:N-Sr-Zn +mp-1247004,Sr(ZnN)2,-4.593467378,-0.4170732733,0.0482138438,0.0482138438,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Sr-Zn,5.0,A2BC2_hP5_164_d_a_d:N-Sr-Zn +mp-1104120,Bi2Pd3S2,-5.010330855,-0.5112560802,0.01112937,-0.0166716702,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Pd-S,14.0,A2B3C2_mC28_12_2i_ehi_j:Bi-Pd-S +mp-1182562,Bi2Pd3S2,-2.3478442486,2.1512305262,2.6736159764,2.6458149362,GGA,C2/m,A2B3C2_mC14_12_ac_be_i:Bi-Pd-S,7.0,A2B3C2_mC14_12_ac_bf_i:Bi-Pd-S +mp-554304,Bi2Pd3S2,-4.9577659914000005,-0.4586912166,0.0636942336,0.0358931934,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Bi-Pd-S,7.0,A2B3C2_hR21_166_ab_d_c:Bi-Pd-S +mp-23012,Bi2Pd3S2,-5.021460225,-0.5223854502,0.0,-0.0278010402,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Bi-Pd-S,14.0,A2B3C2_cI28_199_a_b_a:Bi-Pd-S +mp-1209943,Pr3Cr10N11,-9.3137190946,-0.8731092554000001,0.0,-0.0348417965,GGA,Fm-3m,A10B11C3_cF192_225_fg_abfh_e:Cr-N-Pr,48.0,A10B11C3_cF192_225_fg_abfh_e:Cr-N-Pr +mp-1216568,U2Si3Ir,-8.4412027117,-0.4916679967,0.0138840421,0.0138840421,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Ir-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Ir-Si-U +mp-22758,U(SiIr)2,-8.764592496,-0.8008096100000001,0.0,-0.1127014164,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-Si-U,10.0,A2B2C_tP10_129_ac_bc_c:Ir-Si-U +mp-20260,U(SiIr)2,-8.761519652,-0.7977367660000001,0.003072844,-0.1096285724,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ir-Si-U,5.0,A2B2C_tI10_139_d_e_a:Ir-Si-U +mp-19806,USiIr,-9.22265961,-0.7042722033000001,0.0,-0.0369308617,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-U,12.0,ABC_oP12_62_c_c_c:Ir-Si-U +mp-1068256,USi3Ir,-7.845220876,-0.56406122,0.0,-0.0231221798,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ir-Si-U,5.0,AB3C_tI10_107_a_ab_a:Ir-Si-U +mp-676920,K7(Si2Te5)4,-3.76051432,-0.5021870418000001,0.0915427733,0.0915427733,GGA,Pc,A7B8C20_mP70_7_7a_8a_20a:K-Si-Te,70.0,A7B8C20_mP70_7_14a_16a_40a:K-Si-Te +mp-7657,K3SiTe3,-3.5968941486,-0.9988323556,0.0,-0.0989938993,GGA,C2/m,A3BC3_mC28_12_ehi_i_ij:K-Si-Te,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_2eg2i_i_ij:K-Si-Te, expected K5SiTe3 to be K3SiTe3" +mp-1220614,Nb6PbS8,-7.757993602,-1.2638551857,0.0310530793,0.0310530793,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Pb-S,15.0,A6BC8_hP15_147_g_a_dg:Nb-Pb-S +mp-19746,NbPbS2,-6.6518580125,-1.1301450516,0.0,-0.0010167288,GGA,P6_3/mmc,ABC2_hP8_194_c_a_e:Nb-Pb-S,8.0,ABC2_hP8_194_c_a_e:Nb-Pb-S +mp-21852,Nb3PbS6,-7.2384801265,-1.3549539874,0.0,-0.0614888803,GGA,P6_3/mcm,A3BC6_hP20_193_ac_b_k:Nb-Pb-S,20.0,A3BC6_hP20_193_ac_b_k:Nb-Pb-S +mp-1245939,Si7RuN10,-8.1756887719,-0.9192122164,0.2600479267,0.2600479267,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Ru-Si,36.0,A10BC7_mP36_7_10a_a_7a:N-Ru-Si +mp-8370,Ni3GeC,-6.150355916,0.0880647615,0.3200863425,0.3200863425,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ge-Ni,5.0,ABC3_cP5_221_b_a_c:C-Ge-Ni +mp-1216310,VMoAs2,-7.691212495,-0.3792642475,0.0099587304,0.0099587304,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Mo-V,8.0,A2BC_oP8_26_ab_a_b:As-Mo-V +mp-541349,Ho2Au5F21,-4.5775043405,-2.2319584099,0.0,-0.0128617004,GGA,P-1,A5B21C2_aP56_2_5i_bc20i_2i:Au-F-Ho,56.0,A5B21C2_aP56_2_5i_bc20i_2i:Au-F-Ho +mp-1216919,UGaAu,-6.174488255,-0.3100255775,0.0,-0.063209345,GGA,Immm,ABC_oI12_71_e_f_g:Au-Ga-U,,ABC_oI12_71_e_f_g:Au-Ga-U +mp-1207973,UGaAu,-6.169484055,-0.3050213775,0.0050041999999999,-0.058205145,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-Ga-U,6.0,ABC_hP6_194_c_d_a:Au-Ga-U +mp-1188549,Ho7PtI12,-4.325018259,-1.5335986785,0.0,-0.0435307567,GGA,R-3,A7B12C_hR60_148_af_2f_b:Ho-I-Pt,20.0,A7B12C_hR60_148_af_2f_b:Ho-I-Pt +mp-1212235,PdPt3F6,-4.304755127,-0.8185395695000001,0.461341813,0.461341813,GGA,P-1,A6BC3_aP10_2_3i_a_bce:F-Pd-Pt,10.0,A6BC3_aP10_2_3i_a_bce:F-Pd-Pt +mp-1237259,PdPt3F6,-4.309487828,-0.8232722705000001,0.456609112,0.456609112,GGA,P-1,A6BC3_aP10_2_3i_a_bce:F-Pd-Pt,10.0,A6BC3_aP10_2_3i_a_bce:F-Pd-Pt +mp-8547,PdPtF6,-4.439837845,-1.5998517281,0.0,-0.0751904848,GGA,R-3,A6BC_hR24_148_f_a_b:F-Pd-Pt,8.0,A6BC_hR24_148_f_a_b:F-Pd-Pt +mp-1208030,U3Ni3Bi4,-6.8145311795,-0.1568715205,0.0,-0.0210115241,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Ni-U,20.0,A4B3C3_cI40_220_c_a_b:Bi-Ni-U +mp-1093598,Y2IrPt,-5.31767244,1.6429549917,2.681271505,2.681271505,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Ir-Pt-Y +mp-17418,SmSnF7,-6.0205618742,-3.5640606783,0.0,-0.0826544614,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sm-Sn,36.0,A7BC_mP36_14_7e_e_e:F-Sm-Sn +mp-1246297,Sc(MnN)3,-9.0235626336,-0.6195626684000001,0.2881845125,0.2881845125,GGA,Cmcm,A3B3C_oC28_63_cg_cg_c:Mn-N-Sc,14.0,"Invalid WP multiplicities - A3B3C_oC28_63_2c3g_2c3g_c:Mn-N-Sc, expected Sc(MnN)8 to be Sc(MnN)3" +mp-543029,La2TeI2,-4.9674718460000005,-1.7750612853,0.0,-0.025585658,GGA,R-3m,A2B2C_hR15_166_c_c_a:I-La-Te,5.0,A2B2C_hR15_166_c_c_a:I-La-Te +mp-1215924,YSbTe3,-5.007397758,-1.0023197513,0.0322549297,0.0322549297,GGA,R3m,AB3C_hR15_160_a_3a_a:Sb-Te-Y,5.0,AB3C_hR15_160_a_3a_a:Sb-Te-Y +mp-1188604,U3Sb4Pt3,-7.545223479,-0.684859984,0.0,-0.156697758,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Pt-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Pt-Sb-U +mp-979429,YHoCd2,-3.5546582975,-0.3309934217,0.005984995,0.005984995,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Ho-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Ho-Y +mp-1025385,AgPPt5,-5.6858959,-0.1713923129,0.0353668429,0.0353668429,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Ag-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Ag-P-Pt +mp-1192784,Hf9CoW4,-10.7613873625,-0.1502773636,0.0,-0.0136218842,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Co-Hf-W,28.0,AB9C4_hP28_194_c_hk_ah:Co-Hf-W +mp-1246922,Ca11(RhN5)2,-5.8400850228,-0.615947472,0.1890877398,0.1890877398,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Rh,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Rh +mp-1245432,Ca5(RhN3)2,-6.34277098,-0.5908029269,0.1139596495,0.1139596495,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Rh,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Rh +mp-1087475,NbCrN2,-9.4199702725,-0.3131346825,0.6567341675,0.6567341675,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Cr-N-Nb,8.0,AB2C_tP8_129_c_ac_c:Cr-N-Nb +mp-1091374,NbCrN2,-9.62328433,-0.51644874,0.45342011,0.45342011,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Cr-N-Nb,8.0,AB2C_tP8_129_c_ac_c:Cr-N-Nb +mp-20133,NbCrN,-10.1849683883,-0.8213525767000001,0.0107814117,0.0107814117,GGA,P4/nmm,ABC_tP6_129_c_c_c:Cr-N-Nb,6.0,ABC_tP6_129_c_c_c:Cr-N-Nb +mp-1079356,NbCrN3,-9.338546773,-0.385779316,0.4220781424,0.4220781424,GGA,P4/nmm,AB3C_tP10_129_c_abc_c:Cr-N-Nb,10.0,AB3C_tP10_129_c_abc_c:Cr-N-Nb +mp-1247280,Nb2CrN3,-9.9507544417,-0.8065640542,0.2560821733,0.2560821733,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Nb,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Nb +mp-1204731,Nd4Bi2S9,-6.0415755763,-1.7761344569,0.019210126,0.019210126,GGA,Pnma,A2B4C9_oP60_62_2c_4c_9c:Bi-Nd-S,60.0,A2B4C9_oP60_62_2c_4c_9c:Bi-Nd-S +mp-560046,Ta2Pt3S8,-6.8231900392,-1.0523781812,0.0,-0.0530336154,GGA,Pbam,A3B8C2_oP26_55_ag_2g2h_h:Pt-S-Ta,26.0,"Invalid WP multiplicities - A3B8C2_oP26_55_ag_8g7h_h:Pt-S-Ta, expected Ta2(PtS10)3 to be Ta2Pt3S8" +mp-762,PtS2,-5.4660658233,-0.6847214721,0.0,-0.2456315044,GGA,P-3m1,AB2_hP3_164_a_d:Pt-S,3.0,AB2_hP3_164_a_d:Pt-S +mp-1205321,PtS,-5.7202543481,-0.6164627547,0.0421721969,-0.1029216506,GGA,P4_2/m,AB_tP16_84_cej_k:Pt-S,16.0,AB_tP16_84_cej_k:Pt-S +mp-288,PtS,-5.762426545,-0.6586349516000001,0.0,-0.1450938475,GGA,P4_2/mmc,AB_tP4_131_c_e:Pt-S,4.0,AB_tP4_131_c_e:Pt-S +mp-14246,Ba(AlS2)2,-5.4632965842,-1.755307146,0.0,-0.0573519817,GGA,Pa-3,A2BC4_cP84_205_d_ac_2d:Al-Ba-S,84.0,"Invalid WP multiplicities - A2BC4_cP84_205_d_ac_3d:Al-Ba-S, expected Ba(AlS3)2 to be Ba(AlS2)2" +mp-8258,BaAl4S7,-5.4139767779,-1.5926078339,0.0,-0.0027019133,GGA,Pmn2_1,A4BC7_oP24_31_2b_a_a3b:Al-Ba-S,24.0,"Invalid WP multiplicities - A4BC7_oP24_31_4b_a_a3b:Al-Ba-S, expected BaAl8S7 to be BaAl4S7" +mp-1217329,ThZr2,-8.0784248133,0.0913283567,0.0913283567,0.0913283567,GGA,I4/mmm,AB2_tI6_139_a_e:Th-Zr,3.0,AB2_oF12_69_a_g:Th-Zr +mp-1217264,ThZr2,-8.0467171833,0.1230359867,0.1230359867,0.1230359867,GGA,P-3m1,AB2_hP3_164_a_d:Th-Zr,3.0,AB2_hP3_164_a_d:Th-Zr +mp-1217345,ThZr3,-8.18916456,0.075075475,0.075075475,0.075075475,GGA,P4/mmm,AB3_tP4_123_a_bh:Th-Zr,4.0,"Invalid WP multiplicities - AB3_tP4_123_a_b2h:Th-Zr, expected ThZr5 to be ThZr3" +mp-1217289,ThZr3,-8.1967734775,0.0674665575,0.0674665575,0.0674665575,GGA,P-6m2,AB3_hP4_187_a_bh:Th-Zr,4.0,AB3_hP4_187_a_bh:Th-Zr +mp-1187462,ThZr3,-8.1854606075,0.0787794275,0.0787794275,0.0787794275,GGA,P6_3/mmc,AB3_hP8_194_c_h:Th-Zr,8.0,AB3_hP8_194_c_h:Th-Zr +mp-29062,ThZr2F12,-7.340045645,-4.1769118370000005,0.0,-0.0015292918,GGA,C2/m,A12BC2_mC60_12_acg2i4j_h_2i:F-Th-Zr,30.0,A12BC2_mC60_12_acg2i4j_h_2i:F-Th-Zr +mp-29063,ThZrF8,-7.3871651985,-4.2618261365,0.0,-0.0043167628,GGA,P2_1/c,A8BC_mP80_14_16e_2e_2e:F-Th-Zr,80.0,A8BC_mP80_14_16e_2e_2e:F-Th-Zr +mp-1187129,Sr3H,-1.6787279325000002,0.4365736687,0.6813100643000001,0.6813100643000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Sr,8.0,AB3_hP8_194_c_h:H-Sr +mp-23714,SrH2,-3.4776122358,-0.6526303881000001,0.0,-0.5202709655000001,GGA,Pnma,A2B_oP12_62_2c_c:H-Sr,12.0,A2B_oP12_62_2c_c:H-Sr +mp-1179094,SrH2,-3.4334795367,-0.6084976889,0.0441326992,-0.4761382663,GGA,Cmcm,A2B_oC12_63_ac_c:H-Sr,6.0,A2B_hP6_194_ac_d:H-Sr +mp-23759,SrH2,-3.4337798867,-0.6087980389000001,0.0438323492,-0.4764386163,GGA,P6_3/mmc,A2B_hP6_194_ac_d:H-Sr,6.0,A2B_hP6_194_ac_d:H-Sr +mp-978856,SrH3,-3.1158222475,-0.1489043504,0.3405684406,0.3405684406,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Sr,4.0,A3B_cF16_225_ac_b:H-Sr +mp-24292,Sr2H6Ru,-4.3702080656,-0.7024585415,0.0,-0.2673716161,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:H-Ru-Sr,9.0,A6BC2_cF36_225_e_a_c:H-Ru-Sr +mp-1205533,TlSnI3,-2.996075997,-0.8376131867000001,0.0,-0.0121519003,GGA,Cmcm,A3BC_oC20_63_cf_a_c:I-Sn-Tl,10.0,A3BC_oC20_63_cf_a_c:I-Sn-Tl +mp-1208219,Tl3SnI5,-2.8953106506,-0.84371809,0.01979245,0.01979245,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:I-Sn-Tl,36.0,A5BC3_oP36_19_5a_a_3a:I-Sn-Tl +mp-1208143,Tl4SnI6,-2.8842184095,-0.8569145421000001,0.01248176,0.01248176,GGA,Pbam,A6BC4_oP22_55_2gh_a_2h:I-Sn-Tl,22.0,A6BC4_oP22_55_2gh_a_2h:I-Sn-Tl +mp-1208036,TlSn2I5,-3.00630413,-0.7877268042000001,0.0277241835,0.0277241835,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:I-Sn-Tl,16.0,A5B2C_tI32_140_cl_h_a:I-Sn-Tl +mp-1245819,ReMoN3,-9.5804504015,0.0794820125,0.3559358559,0.3559358559,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Re,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Re +mp-972420,YErAg2,-4.5123537775,-0.337528295,0.0005878375,0.0005878375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Er-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Er-Y +mp-1147730,H4Pt,-3.5880662753,0.3403412247,0.3403412247,0.3403412247,GGA,Im-3m,A4B_cI30_229_de_b:H-Pt,15.0,A4B_cI30_229_de_b:H-Pt +mp-1184606,HPt3,-4.88267281,0.5188586913000001,0.5188586913000001,0.5188586913000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Pt,8.0,AB3_hP8_194_c_h:H-Pt +mp-1184545,HPt3,-4.8787139175,0.5228175838,0.5228175838,0.5228175838,GGA,Pm-3m,AB3_cP4_221_a_c:H-Pt,4.0,AB3_cP4_221_a_c:H-Pt +mp-642845,Rb3H5Pt,-3.3081664172,-0.4219035547,0.0,-0.0679702494,GGA,P4/mbm,A5BC3_tP18_127_ak_c_bg:H-Pt-Rb,18.0,A5BC3_tP18_127_ak_c_bg:H-Pt-Rb +mp-642735,Rb2H4Pt,-3.4735893543,-0.387431405,0.0063059061,0.0063059061,GGA,P4_2/mnm,A4BC2_tP14_136_ef_a_d:H-Pt-Rb,14.0,A4BC2_tP14_136_ef_a_d:H-Pt-Rb +mp-24721,RbH,-2.423320015,-0.2366899563,0.0,-0.2366899563,GGA,Fm-3m,AB_cF8_225_a_b:H-Rb,2.0,AB_cF8_225_a_b:H-Rb +mp-977343,H3Pt,-3.5603745338,0.50195333,0.50195333,0.50195333,GGA,P6_3/mmc,A3B_hP8_194_h_c:H-Pt,8.0,A3B_hP8_194_h_c:H-Pt +mp-643101,Rb2H6Pt,-3.5354376067,-0.3811534139,0.0,-0.0798178767,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:H-Pt-Rb,9.0,A6BC2_cF36_225_e_a_c:H-Pt-Rb +mp-639910,Y(Sn3Ru2)2,-6.4714594445,-0.3240492261,0.0,-0.0484511507,GGA,I-42m,A4B6C_tI22_121_i_ci_a:Ru-Sn-Y,11.0,"Invalid WP multiplicities - A4B6C_tI22_121_i_2c2i_a:Ru-Sn-Y, expected Y(Sn3Ru)4 to be Y(Sn3Ru2)2" +mp-1096225,YSnRu2,-4.54059192,2.7156200921,3.0942670639,3.0942670639,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sn-Y,4.0,A2BC_oI8_71_e_a_b:Ru-Sn-Y +mp-1103869,KCr5Te8,-5.879296835,-0.5562908747,0.0,-0.0158764242,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-K-Te,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-K-Te +mp-7168,TbPPt,-6.7254737667,-1.3525397911,0.0,-0.1126337919,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Tb,3.0,ABC_hP3_187_a_c_f:P-Pt-Tb +mp-1217458,TbUTe6,-5.3950626775,-1.0468612437,0.0046645925,0.0046645925,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Tb-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Tb-Te-U +mp-1217433,TbUTe4,-5.984595595,-1.2347623144,0.0,-0.011859455,GGA,Imm2,AB4C_oI12_44_a_2bc_a:Tb-Te-U,6.0,AB4C_oI12_44_a_2bc_a:Tb-Te-U +mp-1217533,TbUTe3,-6.340625721,-1.269486963,0.0148993332,0.0148993332,GGA,Pnma,AB3C_oP20_62_c_3c_c:Tb-Te-U,20.0,AB3C_oP20_62_c_3c_c:Tb-Te-U +mp-979282,TbU3,-9.078842065,0.5483069675000001,0.5483069675000001,0.5483069675000001,GGA,I4/mmm,AB3_tI8_139_a_bd:Tb-U,4.0,AB3_tI8_139_a_bd:Tb-U +mp-972237,Tc3H,-7.9490191775,0.6696415425000001,0.6696415425000001,0.6696415425000001,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Tc,4.0,AB3_cF16_225_a_bc:H-Tc +mp-1185871,MgH,-2.38892928,0.1075737675,0.3314032029,0.3314032029,GGA,P6_3mc,AB_hP4_186_b_b:H-Mg,4.0,AB_hP4_186_b_b:H-Mg +mp-1185556,Mg149H,-1.6271426572,-0.0149129672,0.0,-0.011968874,GGA,P-6m2,AB149_hP150_187_a_dgh4j4k2l2m8n4o:H-Mg,150.0,"Invalid WP multiplicities - AB149_hP150_187_a_d2g2h8j8k5l6m16n8o:H-Mg, expected Mg315H to be Mg149H" +mp-569051,MgH2,-3.0492369575,-0.2539929108,0.0404164125,-0.2489885594,GGA,Pca2_1,A2B_oP12_29_2a_a:H-Mg,12.0,"Invalid WP multiplicities - A2B_oP12_29_6a_a:H-Mg, expected MgH6 to be MgH2" +mp-23711,MgH2,-3.088983845,-0.2937397983,0.000669525,-0.2887354469,GGA,Pbcn,A2B_oP12_60_d_c:H-Mg,12.0,A2B_oP12_60_d_c:H-Mg +mp-568441,MgH2,-3.0471270675,-0.2518830208,0.0425263025,-0.2468786694,GGA,Pbca,A2B_oP24_61_2c_c:H-Mg,24.0,"Invalid WP multiplicities - A2B_oP24_61_6c_c:H-Mg, expected MgH6 to be MgH2" +mp-23712,MgH2,-3.0080021242,-0.2127580775,0.0816512458,-0.2077537261,GGA,Pnma,A2B_oP12_62_2c_c:H-Mg,12.0,A2B_oP12_62_2c_c:H-Mg +mp-23710,MgH2,-3.08965337,-0.2944093233,0.0,-0.2894049719,GGA,P4_2/mnm,A2B_tP6_136_f_a:H-Mg,6.0,A2B_tP6_136_f_a:H-Mg +mp-1102038,MgH2,-3.0585371475,-0.2632931008,0.0311162225,-0.2582887494,GGA,Pa-3,A2B_cP12_205_c_a:H-Mg,12.0,A2B_cP12_205_c_a:H-Mg +mp-1008901,MgH2,-2.9802664400000003,-0.1850223933,0.10938693,-0.1800180419,GGA,Fm-3m,A2B_cF12_225_c_a:H-Mg,3.0,A2B_cF12_225_c_a:H-Mg +mp-1185872,MgH3,-2.74661097,0.1980035763,0.4188105688,0.4188105688,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Mg,4.0,A3B_cF16_225_ac_b:H-Mg +mp-864942,Mg3TcH7,-3.9274730614,-0.3901492968,0.0,-0.1492689414,GGA,P6_3/mmc,A7B3C_hP22_194_ck_bf_a:H-Mg-Tc,22.0,A7B3C_hP22_194_ck_bf_a:H-Mg-Tc +mp-1095419,TaCrP,-9.6379306292,-0.6632214269000001,0.0,-0.0374113342,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-P-Ta,12.0,ABC_oP12_62_c_c_c:Cr-P-Ta +mp-21799,Ta5P3,-10.1977022997,-0.7566028409000001,0.0295978695,0.0295978695,GGA,Pnma,A3B5_oP64_62_6c_10c:P-Ta,64.0,"Invalid WP multiplicities - A3B5_oP64_62_6c_13c:P-Ta, expected Ta13P6 to be Ta5P3" +mp-22477,Ta2P,-10.4449818231,-0.7353625675000001,0.0,-0.0240723247,GGA,Pnnm,AB2_oP36_58_3g_6g:P-Ta,36.0,AB2_oP36_58_3g_6g:P-Ta +mp-1187255,TaP3,-6.7992461475,0.22517514,0.6945327096,0.6945327096,GGA,I4/mmm,A3B_tI8_139_ad_b:P-Ta,4.0,A3B_tI8_139_ad_b:P-Ta +mp-1067587,TaP,-9.5742552075,-0.9387151392,0.0,-0.3334328664,GGA,I4_1md,AB_tI8_109_a_a:P-Ta,4.0,AB_tI8_109_a_a:P-Ta +mp-12597,TaP,-8.888919705,-0.2533796367,0.6853355025,0.3519026361,GGA,I4_1/amd,AB_tI8_141_a_b:P-Ta,4.0,AB_tI8_141_a_b:P-Ta +mp-1187244,TaP,-9.56401202,-0.9284719517,0.0102431875,-0.3231896789,GGA,P-6m2,AB_hP2_187_a_d:P-Ta,2.0,AB_hP2_187_a_d:P-Ta +mp-504502,Ta3P,-10.8442366437,-0.5975777946,0.0,-0.046055869,GGA,P4_2/n,AB3_tP32_86_g_3g:P-Ta,32.0,AB3_tP32_86_g_3g:P-Ta +mp-567846,Ta3P,-10.84404961,-0.5973907608,0.0001870337,-0.0458688352,GGA,P4_2/nbc,AB3_tP32_133_h_i2j:P-Ta,32.0,"Invalid WP multiplicities - AB3_tP32_133_h_8i13j:P-Ta, expected Ta21P to be Ta3P" +mp-1198946,GdCo5P3,-8.1451935547,-0.8276803619,0.0,-0.1237534869,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Gd-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Gd-P +mp-1190707,Tm2Fe12P7,-7.793191636199999,-0.7224753070000001,0.0,-0.0131657413,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Tm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Tm +mp-1201193,TmFe5P3,-7.7584583075,-0.7511417527,0.0,-0.0055836162,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Fe-P-Tm,36.0,A5B3C_oP36_62_5c_3c_c:Fe-P-Tm +mp-1207365,Cs(PIr)2,-6.529859068,-0.6500839189000001,0.0,-0.1958044846,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cs-Ir-P,5.0,AB2C2_tI10_139_a_d_e:Cs-Ir-P +mp-20358,UInAu2,-5.3683370375,-0.2206226025,0.0230922263,0.0230922263,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-U,4.0,A2BC_cF16_225_c_a_b:Au-In-U +mp-28412,Ho2Ni12P7,-6.3165066505,-0.7727173435,0.0,-0.0223638376,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ho-Ni-P,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_4j4k_ej2k:Ho-Ni-P, expected HoNi12P5 to be Ho2Ni12P7" +mp-1212289,Ho6Ni20P13,-6.3901259305,-0.9165331252,0.0,-0.0176964032,GGA,P-6,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Ho-Ni-P,39.0,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Ho-Ni-P +mp-2906,Ho(NiP)2,-6.405125864,-1.0112684153,0.0,-0.0279596183,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Ho-Ni-P +mp-16375,Ho5Ni19P12,-6.3669918522,-0.8754843147,0.0043458245,0.0043458245,GGA,P-62m,A5B19C12_hP36_189_cg_afgjk_2fk:Ho-Ni-P,36.0,"Invalid WP multiplicities - A5B19C12_hP36_189_cg_af3g2jk_3f2k:Ho-Ni-P, expected Ho5Ni31P21 to be Ho5Ni19P12" +mp-1104221,Ho(Ni2P)2,-6.3369074807,-0.8326845374,0.0,-0.0251231299,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Ho-Ni-P,14.0,AB4C2_tP14_136_a_i_f:Ho-Ni-P +mp-1190272,GdB4Mo,-9.2090007308,-0.6024441586,0.0,-0.0417218232,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-Mo,24.0,A4BC_oP24_55_4h_g_g:B-Gd-Mo +mp-542131,UTe4Br5,-4.3182410395,-1.1552635162,0.0,-0.0964171957,GGA,P-1,A5B4C_aP40_2_10i_8i_2i:Br-Te-U,40.0,A5B4C_aP40_2_10i_8i_2i:Br-Te-U +mp-29263,UBr5,-4.9408358108,-1.7647438675,0.0,-0.2396378058,GGA,P-1,A5B_aP12_2_5i_i:Br-U,12.0,A5B_aP12_2_5i_i:Br-U +mp-1420476,UBr5,-1.4682836817,1.7078082617,3.4725521292,3.2329143233,GGA,P-1,A5B_aP12_2_5i_i:Br-U,12.0,A5B_aP12_2_5i_i:Br-U +mp-1187794,UBr,-7.0413744,-0.6191552300000001,0.5512601608000001,0.5512601608000001,GGA,P-6m2,AB_hP2_187_a_d:Br-U,2.0,AB_hP2_187_a_d:Br-U +mp-23255,UBr3,-5.7432468362,-1.7556230862,0.0,-0.0398787669,GGA,P6_3/m,A3B_hP8_176_h_c:Br-U,8.0,A3B_hP8_176_h_c:Br-U +mp-27153,UBr4,-5.33083194,-1.830127274,0.0,-0.069031719,GGA,C2/m,A4B_mC20_12_2ij_i:Br-U,10.0,"Invalid WP multiplicities - A4B_mC20_12_2i2j_i:Br-U, expected UBr6 to be UBr4" +mp-1246663,TaGaN2,-8.5404734034,-0.6507575278000001,0.353942012,0.353942012,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ga-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:Ga-N-Ta +mp-13415,Ta3B2,-10.458887113,-0.6724638267,0.0,-0.022164487,GGA,P4/mbm,A2B3_tP10_127_g_ah:B-Ta,10.0,A2B3_tP10_127_g_ah:B-Ta +mp-10142,Ta3B4,-9.6718511971,-0.773151201,0.0,-0.0174121464,GGA,Immm,A4B3_oI14_71_ef_af:B-Ta,7.0,A4B3_oI14_71_ef_af:B-Ta +mp-1032,Ta2B,-10.6557049917,-0.5240559814,0.0363305408,0.0363305408,GGA,I4/mcm,AB2_tI12_140_a_h:B-Ta,6.0,AB2_tI12_140_a_h:B-Ta +mp-1105309,Ta5GeB2,-10.2462729831,-0.5874355398000001,0.0,-0.0420858504,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:B-Ge-Ta,16.0,A2BC5_tI32_140_h_a_cl:B-Ge-Ta +mp-1189895,Ta5Ge3B,-9.3183249078,-0.4475067427,0.0,-0.0048744897,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Ge-Ta,18.0,AB3C5_hP18_193_b_g_dg:B-Ge-Ta +mp-1108,TaB2,-9.0547370767,-0.6492166861,0.0,-0.0478768631,GGA,P6/mmm,A2B_hP3_191_c_b:B-Ta,3.0,A2B_hP3_191_c_b:B-Ta +mp-1097,TaB,-10.081458875,-0.8128741746,0.0,-0.0631856847,GGA,Cmcm,AB_oC8_63_c_c:B-Ta,4.0,AB_oC8_63_c_c:B-Ta +mp-1189303,TaB4,-7.644697558,0.0703713847,0.4599013963,0.4599013963,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-Ta,20.0,A4B_hP20_194_fi_bc:B-Ta +mp-28629,Ta5B6,-9.8179941345,-0.7847906095,0.0028053091,0.0028053091,GGA,Cmmm,A6B5_oC22_65_g2h_agh:B-Ta,11.0,A6B5_oC22_65_g2h_agh:B-Ta +mp-1218007,Ta5Ge2B,-9.6258489394,-0.2240569855,0.2510084041,0.2510084041,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:B-Ge-Ta,16.0,AB2C5_tI32_140_a_h_cl:B-Ge-Ta +mp-1210265,Pr9(Ni13P6)2,-6.2568426336,-0.7617078346,0.0274349485,0.0274349485,GGA,P-6m2,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Pr,47.0,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Pr +mp-1209747,Pr2Ni12P5,-6.2582009639,-0.6797817954,0.0,-0.0181496963,GGA,P2_1/m,A12B5C2_mP38_11_12e_5e_2e:Ni-P-Pr,38.0,A12B5C2_mP38_11_12e_5e_2e:Ni-P-Pr +mp-1212765,Pr25Ni49P33,-6.3826321378,-0.9490964002,0.0,-0.0022059686,GGA,P-6m2,A49B33C25_hP107_187_a3j3k3l2m_2j3k2lm_cj3klm:Ni-P-Pr,107.0,A49B33C25_hP107_187_a3j3k3l2m_2j3k2lm_cj3klm:Ni-P-Pr +mp-1191876,Pr2Ni12P7,-6.2939476143,-0.7312538421,0.0,-0.0197694023,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Pr,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Pr +mp-505805,Pr2Ni7P4,-6.3449517277,-0.8314149356,0.0,-0.0127877001,GGA,Pmn2_1,A7B4C2_oP26_31_7a_4a_2a:Ni-P-Pr,26.0,A7B4C2_oP26_31_7a_4a_2a:Ni-P-Pr +mp-1221265,Pr3Ni7P5,-6.3654328112,-0.9074203739,0.0159099005,0.0159099005,GGA,Pm,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Pr,60.0,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Pr +mp-1210024,Pr6Ni20P13,-6.3573145662,-0.8531837785,0.0,-0.0074139854,GGA,P-6,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Pr,39.0,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Pr +mp-1211698,Pr8Ni18P11,-6.3608134392,-0.9057854972,0.0,-0.0028075547,GGA,P-6m2,A18B11C8_hP74_187_3j3kl2m_aj2klm_cj2kl:Ni-P-Pr,74.0,A18B11C8_hP74_187_3j3kl2m_aj2klm_cj2kl:Ni-P-Pr +mp-1219846,Pr2Ni3P4,-6.3815644989,-0.9865165459,0.0,-0.0005404382,GGA,P-4m2,A3B4C2_tP9_115_abc_2g_g:Ni-P-Pr,9.0,"Invalid WP multiplicities - A3B4C2_tP9_115_abc_4g_g:Ni-P-Pr, expected Pr2Ni3P8 to be Pr2Ni3P4" +mp-569931,Pr(NiP)2,-6.40683056,-0.9732737343,0.0,-0.0304673414,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Pr,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Pr +mp-1102807,PrNiP,-6.4507573542,-1.1259757069,0.0,-0.0651866892,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ni-P-Pr,12.0,ABC_hP12_194_f_f_ab:Ni-P-Pr +mp-1187446,ThTi3,-7.61906091,0.156022665,0.156022665,0.156022665,GGA,I4/mmm,AB3_tI8_139_a_bd:Th-Ti,4.0,AB3_tI8_139_a_bd:Th-Ti +mp-1187441,ThTi3,-7.618068475,0.1570151,0.1570151,0.1570151,GGA,Fm-3m,AB3_cF16_225_a_bc:Th-Ti,4.0,AB3_cF16_225_a_bc:Th-Ti +mp-1095024,Ti4H5,-5.8856428944,-0.4916875287,0.0108047722,0.0108047722,GGA,P-42m,A5B4_tP9_111_aef_n:H-Ti,9.0,"Invalid WP multiplicities - A5B4_tP9_111_a2e2f_n:H-Ti, expected Ti4H9 to be Ti4H5" +mp-24725,Th(TiH3)2,-5.2955426008,-0.4554094282,0.1451806592,0.1451806592,GGA,P6_3/mmc,A6BC2_hP36_194_2k_f_ah:H-Th-Ti,36.0,A6BC2_hP36_194_2k_f_ah:H-Th-Ti +mp-1078123,Ti4H3,-6.3122679529,-0.3465327812,0.0411041367,0.0411041367,GGA,P-42m,A3B4_tP7_111_abc_n:H-Ti,7.0,A3B4_tP7_111_abc_n:H-Ti +mp-1187058,Th3Ti,-7.3459327437,0.1883339479,0.1883339479,0.1883339479,GGA,P6_3/mmc,A3B_hP8_194_h_c:Th-Ti,8.0,A3B_hP8_194_h_c:Th-Ti +mp-1101754,Ti4H7,-5.6030522536,-0.5729567644,0.0026253258,0.0026253258,GGA,P-43m,A7B4_cP11_215_acd_e:H-Ti,11.0,"Invalid WP multiplicities - A7B4_cP11_215_a2c3d_e:H-Ti, expected TiH4 to be Ti4H7" +mp-690760,TiH,-6.0946504825,-0.4505414517,0.0017016192,0.0017016192,GGA,P4_2/mmc,AB_tP4_131_e_c:H-Ti,4.0,AB_tP4_131_e_c:H-Ti +mp-998969,TiH,-5.8685519025,-0.2244428717,0.2278001992,0.2278001992,GGA,P6_3/mmc,AB_hP4_194_c_a:H-Ti,4.0,AB_hP4_194_c_a:H-Ti +mp-1060435,TiH,-6.05157351,-0.4074644792,0.0447785917,0.0447785917,GGA,Fm-3m,AB_cF8_225_a_b:H-Ti,2.0,AB_cF8_225_a_b:H-Ti +mp-1079127,Ti2H3,-5.727284766,-0.5334523323,0.0092393527,0.0092393527,GGA,P4_2/mcm,A3B2_tP10_132_be_i:H-Ti,10.0,A3B2_tP10_132_be_i:H-Ti +mp-1077482,TiH2,-5.4096130317,-0.5159649961,0.087025765,0.0092453712,GGA,P4/nmm,A2B_tP6_129_ac_c:H-Ti,6.0,A2B_tP6_129_ac_c:H-Ti +mp-1077353,TiH2,-5.278031535,-0.3843834994,0.2186072617,0.1408268679,GGA,P4_2/mnm,A2B_tP6_136_f_a:H-Ti,6.0,A2B_tP6_136_f_a:H-Ti +mp-24726,TiH2,-5.4966387967,-0.6029907611,0.0,-0.0777803938,GGA,I4/mmm,A2B_tI6_139_d_a:H-Ti,3.0,A2B_tI6_139_d_a:H-Ti +mp-24161,TiH2,-5.4965867567,-0.6029387211,5.204e-05,-0.0777283538,GGA,Fm-3m,A2B_cF12_225_c_a:H-Ti,3.0,A2B_cF12_225_c_a:H-Ti +mp-1077045,Ti2H,-6.650852345,-0.2562823189,0.0452130617,0.0452130617,GGA,Pn-3m,AB2_cP6_224_a_b:H-Ti,6.0,AB2_cP6_224_a_b:H-Ti +mp-1217498,U3Ga2Si3,-7.1122308806,-0.08643386,0.1844710244,0.1844710244,GGA,Fmm2,A2B3C3_oF64_42_bc_bcd_c2d:Ga-Si-U,16.0,A2B3C3_oF64_42_bc_bcd_c2d:Ga-Si-U +mp-1207928,U3Ga2Si3,-7.2365199481,-0.2107229275,0.0601819569,0.0601819569,GGA,I4cm,A2B3C3_tI32_108_c_ac_ac:Ga-Si-U,16.0,A2B3C3_tI32_108_c_ac_ac:Ga-Si-U +mp-1192280,UGa,-7.0949158194,0.0648371969,0.2244630056,0.2244630056,GGA,Cmcm,AB_oC32_63_fg_ace:Ga-U,16.0,AB_oC32_63_fg_ace:Ga-U +mp-669923,UGa,-7.0986478875,0.0611051287,0.2207309375,0.2207309375,GGA,Cmmm,AB_oC16_65_ek_bch:Ga-U,8.0,AB_oC16_65_ek_bch:Ga-U +mp-971875,UGa,-7.27350982,-0.1137568038,0.045869005,0.045869005,GGA,P-6m2,AB_hP2_187_a_d:Ga-U,2.0,AB_hP2_187_a_d:Ga-U +mp-669688,U3Ga5,-6.2038448688,-0.0770061009,0.12252616,0.12252616,GGA,Cmcm,A5B3_oC32_63_cfg_ce:Ga-U,16.0,"Invalid WP multiplicities - A5B3_oC32_63_2c4f4g_2c2e:Ga-U, expected UGa3 to be U3Ga5" +mp-20214,UGa3,-5.3333632325,-0.2394387131,0.0,-0.1825603112,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-U,4.0,A3B_cP4_221_c_a:Ga-U +mp-20632,UGa2,-5.8566671167,-0.0741330983,0.1387013133,0.1387013133,GGA,P6/mmm,A2B_hP3_191_c_b:Ga-U,3.0,A2B_hP3_191_c_b:Ga-U +mp-644483,Ti3SnH,-6.648805412,-0.431050622,0.0,-0.0303529195,GGA,Pm-3m,ABC3_cP5_221_b_a_c:H-Sn-Ti,5.0,ABC3_cP5_221_b_a_c:H-Sn-Ti +mp-976809,Ni3S,-5.3481771275,0.0210378492,0.3784315937,0.3784315937,GGA,I4/mmm,A3B_tI8_139_ad_b:Ni-S,4.0,A3B_tI8_139_ad_b:Ni-S +mp-976881,Ni3S,-5.3558703575,0.0133446192,0.3707383637,0.3707383637,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ni-S,8.0,A3B_hP8_194_h_c:Ni-S +mp-850131,NiS2,-5.2548063683,-0.5704608971,0.0216975383,-0.0578563379,GGA,P2_1/c,AB2_mP6_14_a_e:Ni-S,6.0,AB2_mP6_14_a_e:Ni-S +mp-1180046,NiS2,-5.2765039067,-0.5921584354,0.0,-0.0795538762,GGA,P2_1/c,AB2_mP6_14_a_e:Ni-S,6.0,AB2_mP6_14_a_e:Ni-S +mp-2282,NiS2,-5.2613425408,-0.5769970696,0.0151613658,-0.0643925104,GGA,Pa-3,AB2_cP12_205_a_c:Ni-S,12.0,AB2_cP12_205_a_c:Ni-S +mp-849059,NiS2,-5.2552456933,-0.5709002221,0.0212582133,-0.0582956629,GGA,Pnnm,AB2_oP6_58_a_g:Ni-S,6.0,AB2_oP6_58_a_g:Ni-S +mp-850068,NiS2,-5.1796164958,-0.4952710246,0.0968874108,0.0173335346,GGA,Pbcn,AB2_oP12_60_c_d:Ni-S,12.0,AB2_oP12_60_c_d:Ni-S +mp-1103643,NiS2,-5.2163292633000005,-0.5319837921,0.0601746433,-0.0193792329,GGA,Pnma,AB2_oP12_62_c_2c:Ni-S,12.0,AB2_oP12_62_c_2c:Ni-S +mp-1042115,NiS2,-4.8961107033,-0.2117652321,0.3803932033,0.3008393271,GGA,I-42d,AB2_tI12_122_a_d:Ni-S,6.0,AB2_tI12_122_a_d:Ni-S +mp-849092,NiS2,-4.97090183,-0.2865563588,0.3056020767,0.2260482004,GGA,P4/nmm,AB2_tP6_129_c_ac:Ni-S,6.0,"Invalid WP multiplicities - AB2_tP6_129_c_2ac:Ni-S, expected NiS3 to be NiS2" +mp-1094089,NiS2,-4.7005390333,-0.0161935621,0.5759648733,0.4964109971,GGA,I4/mmm,AB2_tI6_139_a_e:Ni-S,3.0,AB2_tI6_139_a_e:Ni-S +mp-1411545,NiS2,-5.24152463,-0.5571791588,0.0349792767,-0.0445745996,GGA,R-3m,AB2_hR9_166_a_c:Ni-S,3.0,AB2_hR9_166_a_c:Ni-S +mp-849075,NiS2,-4.1725052,0.5118402713,1.1039987067,1.0244448304,GGA,P6/mmm,AB2_hP3_191_a_d:Ni-S,3.0,AB2_hP3_191_a_d:Ni-S +mp-849079,NiS2,-5.0846264333,-0.4002809621,0.1918774733,0.1123235971,GGA,P6_3/mmc,AB2_hP6_194_c_f:Ni-S,6.0,AB2_hP6_194_c_f:Ni-S +mp-849053,NiS2,-4.8091728633,-0.1248273921,0.4673310433,0.3877771671,GGA,Fm-3m,AB2_cF12_225_a_c:Ni-S,3.0,AB2_cF12_225_a_c:Ni-S +mp-1444811,NiS2,-5.232739435,-0.5483939638,0.0437644717,-0.0357894046,GGA,Fd-3m,AB2_cF48_227_c_e:Ni-S,12.0,AB2_cF48_227_c_e:Ni-S +mp-28105,Ni17S18,-5.4800119789,-0.5451999456000001,0.0868690372,0.0868690372,GGA,R-3m,A17B18_hR105_166_a2cfg_3h:Ni-S,35.0,A17B18_hR105_166_a2cfg_3h:Ni-S +mp-1224473,Hf2NiS4,-7.5819905286,-1.5476599275,0.0915021657,0.0915021657,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Hf-Ni-S,7.0,"Invalid WP multiplicities - A2BC4_mC14_12_i_a_3i:Hf-Ni-S, expected Hf2NiS6 to be Hf2NiS4" +mp-767469,Ni9S10,-5.4637672695,-0.5487289122,0.0890230226,0.0890230226,GGA,P-1,A9B10_aP19_2_a4i_5i:Ni-S,19.0,"Invalid WP multiplicities - A9B10_aP19_2_a7i_10i:Ni-S, expected Ni3S4 to be Ni9S10" +mp-1219994,Ni6S5,-5.5691297491,-0.5361234387,0.0663038514,0.0663038514,GGA,Cmc2_1,A6B5_oC44_36_6a_5a:Ni-S,,"Invalid WP multiplicities - A6B5_oC44_36_8a_7a:Ni-S, expected Ni8S7 to be Ni6S5" +mp-1050,Ni3S4,-5.4999500771,-0.6590630046,0.0,-0.05605874,GGA,Fd-3m,A3B4_cF56_227_ad_e:Ni-S,14.0,"Invalid WP multiplicities - A3B4_cF56_227_2a2d_e:Ni-S, expected Ni3S2 to be Ni3S4" +mp-1547,NiS,-5.5694319100000005,-0.6111386366,0.0141818408,0.0141818408,GGA,R3m,AB_hR18_160_b_b:Ni-S,6.0,AB_hR18_160_b_b:Ni-S +mp-594,NiS,-5.4788644675,-0.5205711941,0.1047492833,0.1047492833,GGA,P6_3/mmc,AB_hP4_194_a_c:Ni-S,4.0,AB_hP4_194_a_c:Ni-S +mp-976920,Ni9S8,-5.6180634988,-0.6114264956000001,0.0,-0.0036770282,GGA,C222,A9B8_oC68_21_acehik2l_4l:Ni-S,34.0,A9B8_oC68_21_acehik2l_4l:Ni-S +mp-1202035,Ni9S8,-5.5157729529,-0.5091359497,0.1022905459,0.0986135176,GGA,I-42d,A9B8_tI136_122_2cd3e_4e:Ni-S,68.0,A9B8_tI136_122_2cd3e_4e:Ni-S +mp-849078,Ni2S,-5.3315725167,-0.099331441,0.3771935517,0.3771935517,GGA,I4/mmm,A2B_tI6_139_e_a:Ni-S,3.0,A2B_tI6_139_e_a:Ni-S +mp-1180543,Ni3S2,-5.552637832,-0.4299758772,0.141854114,0.089736644,GGA,C2,A3B2_mC10_5_ac_c:Ni-S,,A3B2_mC10_5_ac_c:Ni-S +mp-850086,Ni3S2,-5.560470399,-0.4378084442,0.134021547,0.081904077,GGA,Cmcm,A3B2_oC20_63_cf_ac:Ni-S,10.0,"Invalid WP multiplicities - A3B2_oC20_63_cf_2ac:Ni-S, expected NiS to be Ni3S2" +mp-362,Ni3S2,-5.694491946,-0.5718299912,0.0,-0.05211747,GGA,R32,A3B2_hR15_155_d_c:Ni-S,5.0,A3B2_hR15_155_d_c:Ni-S +mp-1220109,Ni3S2,-5.516435636,-0.3937736812,0.17805631,0.12593884,GGA,R3m,A3B2_hR15_160_3a_2a:Ni-S,5.0,A3B2_hR15_160_3a_2a:Ni-S +mp-1209868,Nd(TmS2)3,-6.6844112495,-2.3829759591,0.0,-0.0078974545,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Nd-S-Tm,20.0,AB6C3_mP20_11_e_6e_3e:Nd-S-Tm +mp-1204447,Nd4(TmS2)11,-6.6549010492,-2.3492611449,0.0272458768,0.0272458768,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Nd-S-Tm,37.0,A4B22C11_mC74_12_2i_11i_a5i:Nd-S-Tm +mp-1197152,NdTmS3,-6.7027978548,-2.3721313635,0.0035609911,0.0035609911,GGA,P2_1/m,AB3C_mP40_11_4e_12e_4e:Nd-S-Tm,40.0,AB3C_mP40_11_4e_12e_4e:Nd-S-Tm +mp-1228823,AsIrS,-6.6227874958,-0.7447866785,0.0,-0.1354954138,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ir-S,12.0,ABC_cP12_198_a_a_a:As-Ir-S +mp-1188463,Th2FeS5,-7.3426762019,-1.8451778213,0.08420887,0.08420887,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Fe-S-Th,16.0,AB5C2_mC32_15_a_e2f_f:Fe-S-Th +mp-703595,Cd13I28,-2.1171728559,-0.8183478637,0.0119454789,0.0119454789,GGA,P3m1,A13B28_hP41_156_6a7b_8a6b14c:Cd-I,41.0,A13B28_hP41_156_6a7b_8a6b14c:Cd-I +mp-616218,Cd(In2I3)2,-2.6137154014,-0.7255496941,0.0081346555,0.0081346555,GGA,P4/mnc,AB6C4_tP22_128_a_eh_g:Cd-I-In,22.0,"Invalid WP multiplicities - AB6C4_tP22_128_a_3e4h_g:Cd-I-In, expected Cd(In2I11)2 to be Cd(In2I3)2" +mp-627557,CdI2,-2.1610964544,-0.8712223011,0.0016501872,-0.0723589104,GGA,P3m1,AB2_hP27_156_3a6b_6a3b9c:Cd-I,27.0,AB2_hP27_156_3a6b_6a3b9c:Cd-I +mp-647489,CdI2,-2.1610325833,-0.87115843,0.0017140583,-0.0722950393,GGA,P3m1,AB2_hP21_156_3a4b_4a3b7c:Cd-I,21.0,AB2_hP21_156_3a4b_4a3b7c:Cd-I +mp-669326,CdI2,-2.1611360426,-0.8712618893,0.0016105991,-0.0723984985,GGA,P3m1,AB2_hP27_156_8ab_a8b9c:Cd-I,27.0,AB2_hP27_156_8ab_a8b9c:Cd-I +mp-669334,CdI2,-2.1610438969,-0.8711697436,0.0017027448,-0.0723063528,GGA,P3m1,AB2_hP45_156_10a5b_5a10b15c:Cd-I,45.0,AB2_hP45_156_10a5b_5a10b15c:Cd-I +mp-669340,CdI2,-2.161220599,-0.8713464457000001,0.0015260426,-0.072483055,GGA,P3m1,AB2_hP42_156_2a5b7c_12a9b7c:Cd-I,42.0,AB2_hP42_156_2a5b7c_12a9b7c:Cd-I +mp-669357,CdI2,-2.1609457448,-0.8710715915,0.0018008968,-0.0722082008,GGA,P3m1,AB2_hP33_156_3a8b_8a3b11c:Cd-I,33.0,AB2_hP33_156_3a8b_8a3b11c:Cd-I +mp-669358,CdI2,-2.160974643,-0.8711004897,0.0017719986,-0.072237099,GGA,P3m1,AB2_hP33_156_2a9b_9a2b11c:Cd-I,33.0,AB2_hP33_156_2a9b_9a2b11c:Cd-I +mp-669360,CdI2,-2.161210205,-0.8713360517000001,0.0015364367,-0.072472661,GGA,P3m1,AB2_hP36_156_3a8bc_9a4b11c:Cd-I,36.0,AB2_hP36_156_3a8bc_9a4b11c:Cd-I +mp-624399,CdI2,-2.1610242519,-0.8711500985,0.0017223898,-0.0722867078,GGA,P3m1,AB2_hP27_156_3a5bc_6a4b8c:Cd-I,27.0,AB2_hP27_156_3a5bc_6a4b8c:Cd-I +mp-624400,CdI2,-2.160987191,-0.8711130377,0.0017594507,-0.072249647,GGA,P3m1,AB2_hP30_156_5a5b_5a5b10c:Cd-I,30.0,AB2_hP30_156_5a5b_5a5b10c:Cd-I +mp-624406,CdI2,-2.1609618857,-0.8710877323,0.001784756,-0.0722243416,GGA,P3m1,AB2_hP30_156_2a4b4c_8a6b6c:Cd-I,30.0,AB2_hP30_156_2a4b4c_8a6b6c:Cd-I +mp-624417,CdI2,-2.1610185612,-0.8711444079,0.0017280805,-0.0722810172,GGA,P3m1,AB2_hP33_156_5a6b_6a5b11c:Cd-I,33.0,AB2_hP33_156_5a6b_6a5b11c:Cd-I +mp-624418,CdI2,-2.1609960282,-0.8711218748,0.0017506135,-0.0722584841,GGA,P3m1,AB2_hP33_156_5a6b_6a5b11c:Cd-I,33.0,AB2_hP33_156_5a6b_6a5b11c:Cd-I +mp-680046,CdI2,-2.1612311414,-0.8713569881000001,0.0015155002,-0.0724935974,GGA,P3m1,AB2_hP42_156_6a8b_8a6b14c:Cd-I,42.0,AB2_hP42_156_6a8b_8a6b14c:Cd-I +mp-680047,CdI2,-2.1612381062,-0.8713639529,0.0015085355,-0.0725005621,GGA,P3m1,AB2_hP42_156_6a8b_8a6b14c:Cd-I,42.0,AB2_hP42_156_6a8b_8a6b14c:Cd-I +mp-680055,CdI2,-2.1610106639,-0.8711365106000001,0.0017359777,-0.0722731199,GGA,P3m1,AB2_hP33_156_2a9b_9a2b11c:Cd-I,33.0,AB2_hP33_156_2a9b_9a2b11c:Cd-I +mp-680092,CdI2,-2.160988744,-0.8711145907000001,0.0017578977,-0.0722512,GGA,P3m1,AB2_hP30_156_4a6b_6a4b10c:Cd-I,30.0,AB2_hP30_156_4a6b_6a4b10c:Cd-I +mp-680093,CdI2,-2.1610004433,-0.87112629,0.0017461983,-0.0722628993,GGA,P3m1,AB2_hP33_156_4a7b_7a4b11c:Cd-I,33.0,AB2_hP33_156_4a7b_7a4b11c:Cd-I +mp-680094,CdI2,-2.1609924418,-0.8711182885000001,0.0017541998,-0.0722548978,GGA,P3m1,AB2_hP33_156_4a7b_7a4b11c:Cd-I,33.0,AB2_hP33_156_4a7b_7a4b11c:Cd-I +mp-680095,CdI2,-2.1609514852,-0.8710773318,0.0017951565,-0.0722139411,GGA,P3m1,AB2_hP60_156_10a10b_10a10b20c:Cd-I,60.0,AB2_hP60_156_10a10b_10a10b20c:Cd-I +mp-680111,CdI2,-2.1609449667,-0.8710708133,0.001801675,-0.0722074226,GGA,P3m1,AB2_hP12_156_3ab_a3b4c:Cd-I,12.0,AB2_hP12_156_3ab_a3b4c:Cd-I +mp-680112,CdI2,-2.1609845485,-0.8711103952,0.0017620932,-0.0722470044,GGA,P3m1,AB2_hP33_156_4a6bc_7a5b10c:Cd-I,33.0,AB2_hP33_156_4a6bc_7a5b10c:Cd-I +mp-680113,CdI2,-2.1610377842,-0.8711636309,0.0017088574,-0.0723002402,GGA,P3m1,AB2_hP33_156_3a7bc_8a4b10c:Cd-I,33.0,AB2_hP33_156_3a7bc_8a4b10c:Cd-I +mp-680114,CdI2,-2.1609339803,-0.8710598270000001,0.0018126614,-0.0721964363,GGA,P3m1,AB2_hP33_156_3a7bc_8a4b10c:Cd-I,33.0,AB2_hP33_156_3a7bc_8a4b10c:Cd-I +mp-680115,CdI2,-2.16122155,-0.8713473967,0.0015250917,-0.072484006,GGA,P3m1,AB2_hP42_156_6a8b_8a6b14c:Cd-I,42.0,AB2_hP42_156_6a8b_8a6b14c:Cd-I +mp-680116,CdI2,-2.1612306045,-0.8713564512,0.0015160371,-0.0724930605,GGA,P3m1,AB2_hP42_156_6a8b_8a6b14c:Cd-I,42.0,AB2_hP42_156_6a8b_8a6b14c:Cd-I +mp-680118,CdI2,-2.1610803111,-0.8712061578,0.0016663306,-0.0723427671,GGA,P3m1,AB2_hP45_156_7a8b_8a7b15c:Cd-I,45.0,AB2_hP45_156_7a8b_8a7b15c:Cd-I +mp-680119,CdI2,-2.1611060558,-0.8712319024,0.0016405859,-0.0723685117,GGA,P3m1,AB2_hP45_156_7a8b_8a7b15c:Cd-I,45.0,AB2_hP45_156_7a8b_8a7b15c:Cd-I +mp-680120,CdI2,-2.161144652,-0.8712704987000001,0.0016019897,-0.072407108,GGA,P3m1,AB2_hP45_156_7a8b_8a7b15c:Cd-I,45.0,AB2_hP45_156_7a8b_8a7b15c:Cd-I +mp-680133,CdI2,-2.1612048818,-0.8713307284,0.0015417599,-0.0724673377,GGA,P3m1,AB2_hP51_156_10a7b_7a10b17c:Cd-I,51.0,AB2_hP51_156_10a7b_7a10b17c:Cd-I +mp-680144,CdI2,-2.1609848216,-0.8711106682,0.0017618201,-0.0722472775,GGA,P3m1,AB2_hP57_156_10a9b_9a10b19c:Cd-I,57.0,AB2_hP57_156_10a9b_9a10b19c:Cd-I +mp-680145,CdI2,-2.1609585032,-0.8710843498,0.0017881385,-0.0722209591,GGA,P3m1,AB2_hP60_156_10a3b7c_10a17b13c:Cd-I,60.0,AB2_hP60_156_10a3b7c_10a17b13c:Cd-I +mp-680146,CdI2,-2.1610187695,-0.8711446161,0.0017278722,-0.0722812254,GGA,P3m1,AB2_hP57_156_10a9b_9a10b19c:Cd-I,57.0,AB2_hP57_156_10a9b_9a10b19c:Cd-I +mp-680148,CdI2,-2.1609556632,-0.8710815098,0.0017909785,-0.0722181191,GGA,P3m1,AB2_hP60_156_12a7bc_8a13b19c:Cd-I,60.0,AB2_hP60_156_12a7bc_8a13b19c:Cd-I +mp-680152,CdI2,-2.1610910431,-0.8712168898,0.0016555986,-0.0723534991,GGA,P3m1,AB2_hP45_156_13a2b_2a13b15c:Cd-I,45.0,AB2_hP45_156_13a2b_2a13b15c:Cd-I +mp-680153,CdI2,-2.1612192967,-0.8713451433,0.001527345,-0.0724817526,GGA,P3m1,AB2_hP63_156_13a8b_8a13b21c:Cd-I,63.0,AB2_hP63_156_13a8b_8a13b21c:Cd-I +mp-680172,CdI2,-2.1611382271,-0.8712640738,0.0016084145,-0.0724006831,GGA,P3m1,AB2_hP66_156_11a3b8c_11a19b14c:Cd-I,66.0,AB2_hP66_156_11a3b8c_11a19b14c:Cd-I +mp-684029,CdI2,-2.1612328864,-0.8713587331,0.0015137552,-0.0724953424,GGA,P3m1,AB2_hP42_156_11a3b_3a11b14c:Cd-I,42.0,AB2_hP42_156_11a3b_3a11b14c:Cd-I +mp-571646,CdI2,-2.1618317583,-0.8719576050000001,0.0009148833,-0.0730942143,GGA,P3m1,AB2_hP36_156_2a4b6c_10a8b6c:Cd-I,36.0,AB2_hP36_156_2a4b6c_10a8b6c:Cd-I +mp-571654,CdI2,-2.162054845,-0.8721806917,0.0006917967,-0.073317301,GGA,P3m1,AB2_hP36_156_6a6b_6a6b12c:Cd-I,36.0,AB2_hP36_156_6a6b_6a6b12c:Cd-I +mp-571660,CdI2,-2.1626201744,-0.8727460211,0.0001264672,-0.0738826304,GGA,P3m1,AB2_hP36_156_4a8b_8a4b12c:Cd-I,36.0,AB2_hP36_156_4a8b_8a4b12c:Cd-I +mp-571667,CdI2,-2.1625574279,-0.8726832746000001,0.0001892137,-0.0738198839,GGA,P3m1,AB2_hP39_156_6a7b_7a6b13c:Cd-I,39.0,AB2_hP39_156_6a7b_7a6b13c:Cd-I +mp-571668,CdI2,-2.1619924736,-0.8721183203,0.0007541681,-0.0732549296,GGA,P3m1,AB2_hP36_156_3a9b_9a3b12c:Cd-I,36.0,AB2_hP36_156_3a9b_9a3b12c:Cd-I +mp-582042,CdI2,-2.162716586,-0.8728424327000001,3.00557e-05,-0.073979042,GGA,P3m1,AB2_hP45_156_7a8b_8a7b15c:Cd-I,45.0,AB2_hP45_156_7a8b_8a7b15c:Cd-I +mp-582084,CdI2,-2.1623969972,-0.8725228439,0.0003496444,-0.0736594532,GGA,P3m1,AB2_hP54_156_12a6b_6a12b18c:Cd-I,54.0,AB2_hP54_156_12a6b_6a12b18c:Cd-I +mp-680163,CdI2,-2.1613194049,-0.8714452516000001,0.0014272367,-0.0725818609,GGA,P3m1,AB2_hP75_156_12a13b_13a12b25c:Cd-I,75.0,AB2_hP75_156_12a13b_13a12b25c:Cd-I +mp-680196,CdI2,-2.160644716,-0.8707705626000001,0.0021019257,-0.0719071719,GGA,P3m1,AB2_hP87_156_12a17b_17a12b29c:Cd-I,87.0,AB2_hP87_156_12a17b_17a12b29c:Cd-I +mp-571514,CdI2,-2.1616603238,-0.8717861704000001,0.0010863179,-0.0729227797,GGA,P3m1,AB2_hP24_156_2a6b_6a2b8c:Cd-I,24.0,AB2_hP24_156_2a6b_6a2b8c:Cd-I +mp-571516,CdI2,-2.1625953154,-0.8727211621000001,0.0001513263,-0.0738577714,GGA,P3m1,AB2_hP48_156_2a6b8c_14a10b8c:Cd-I,48.0,AB2_hP48_156_2a6b8c_14a10b8c:Cd-I +mp-571519,CdI2,-2.1616364652,-0.8717623119000001,0.0011101764,-0.0728989212,GGA,P3m1,AB2_hP21_156_6ab_a6b7c:Cd-I,21.0,AB2_hP21_156_6ab_a6b7c:Cd-I +mp-571535,CdI2,-2.161665255,-0.8717911017000001,0.0010813867,-0.072927711,GGA,P3m1,AB2_hP24_156_2a5bc_6a3b7c:Cd-I,24.0,AB2_hP24_156_2a5bc_6a3b7c:Cd-I +mp-571538,CdI2,-2.1616070633,-0.87173291,0.0011395783,-0.0728695193,GGA,P3m1,AB2_hP30_156_2a3b5c_8a7b5c:Cd-I,30.0,AB2_hP30_156_2a3b5c_8a7b5c:Cd-I +mp-571539,CdI2,-2.1616820396,-0.8718078862,0.0010646021,-0.0729444955,GGA,P3m1,AB2_hP24_156_4a4b_4a4b8c:Cd-I,24.0,AB2_hP24_156_4a4b_4a4b8c:Cd-I +mp-571559,CdI2,-2.161717253,-0.8718430997000001,0.0010293887,-0.072979709,GGA,P3m1,AB2_hP30_156_4a6b_6a4b10c:Cd-I,30.0,AB2_hP30_156_4a6b_6a4b10c:Cd-I +mp-571567,CdI2,-2.1624854658,-0.8726113125,0.0002611758,-0.0737479218,GGA,P3m1,AB2_hP24_156_3a4bc_5a4b7c:Cd-I,24.0,AB2_hP24_156_3a4bc_5a4b7c:Cd-I +mp-571568,CdI2,-2.1616148267,-0.8717406733,0.001131815,-0.0728772826,GGA,P3m1,AB2_hP24_156_3a5b_5a3b8c:Cd-I,24.0,AB2_hP24_156_3a5b_5a3b8c:Cd-I +mp-571569,CdI2,-2.1616539556,-0.8717798022000001,0.0010926861,-0.0729164115,GGA,P3m1,AB2_hP27_156_4a5b_5a4b9c:Cd-I,27.0,AB2_hP27_156_4a5b_5a4b9c:Cd-I +mp-571578,CdI2,-2.1617810357,-0.8719068823,0.000965606,-0.0730434916,GGA,P3m1,AB2_hP30_156_5a5b_5a5b10c:Cd-I,30.0,AB2_hP30_156_5a5b_5a5b10c:Cd-I +mp-571579,CdI2,-2.1627466417,-0.8728724883000001,0.0,-0.0740090976,GGA,P3m1,AB2_hP30_156_4a6b_6a4b10c:Cd-I,30.0,AB2_hP30_156_4a6b_6a4b10c:Cd-I +mp-571583,CdI2,-2.161656528,-0.8717823747000001,0.0010901137,-0.072918984,GGA,P3m1,AB2_hP30_156_5a5b_5a5b10c:Cd-I,30.0,AB2_hP30_156_5a5b_5a5b10c:Cd-I +mp-569468,CdI2,-2.1626817712,-0.8728076179,6.487040000000001e-05,-0.0739442272,GGA,P3m1,AB2_hP48_156_7a9b_9a7b16c:Cd-I,48.0,AB2_hP48_156_7a9b_9a7b16c:Cd-I +mp-571593,CdI2,-2.1617378708,-0.8718637175,0.0010087708,-0.0730003268,GGA,P3m1,AB2_hP36_156_10a2b_2a10b12c:Cd-I,36.0,AB2_hP36_156_10a2b_2a10b12c:Cd-I +mp-571595,CdI2,-2.1620019797,-0.8721278263000001,0.000744662,-0.0732644356,GGA,P3m1,AB2_hP30_156_9ab_a9b10c:Cd-I,30.0,AB2_hP30_156_9ab_a9b10c:Cd-I +mp-571592,CdI2,-2.1622003008,-0.8723261475,0.0005463408,-0.0734627568,GGA,P3m1,AB2_hP24_156_7ab_a7b8c:Cd-I,24.0,AB2_hP24_156_7ab_a7b8c:Cd-I +mp-571603,CdI2,-2.1622830975,-0.8724089442,0.0004635442,-0.0735455535,GGA,P3m1,AB2_hP36_156_5a7b_7a5b12c:Cd-I,36.0,AB2_hP36_156_5a7b_7a5b12c:Cd-I +mp-571605,CdI2,-2.1617761173,-0.8719019640000001,0.0009705243,-0.0730385733,GGA,P3m1,AB2_hP30_156_2a8b_8a2b10c:Cd-I,30.0,AB2_hP30_156_2a8b_8a2b10c:Cd-I +mp-571607,CdI2,-2.1616429019,-0.8717687486,0.0011037397,-0.0729053579,GGA,P3m1,AB2_hP36_156_2a4b6c_10a8b6c:Cd-I,36.0,AB2_hP36_156_2a4b6c_10a8b6c:Cd-I +mp-571615,CdI2,-2.1619971497,-0.8721229963,0.000749492,-0.0732596056,GGA,P3m1,AB2_hP30_156_2a8b_8a2b10c:Cd-I,30.0,AB2_hP30_156_2a8b_8a2b10c:Cd-I +mp-571616,CdI2,-2.162641448,-0.8727672947,0.0001051937,-0.073903904,GGA,P3m1,AB2_hP30_156_2a8b_8a2b10c:Cd-I,30.0,AB2_hP30_156_2a8b_8a2b10c:Cd-I +mp-571613,CdI2,-2.1622585794,-0.8723844261,0.0004880622,-0.0735210354,GGA,P3m1,AB2_hP36_156_5a7b_7a5b12c:Cd-I,36.0,AB2_hP36_156_5a7b_7a5b12c:Cd-I +mp-569510,CdI2,-2.1622503367,-0.8723761833,0.000496305,-0.0735127926,GGA,P3m1,AB2_hP48_156_2a6b8c_14a10b8c:Cd-I,48.0,AB2_hP48_156_2a6b8c_14a10b8c:Cd-I +mp-571635,CdI2,-2.1626003411,-0.8727261878,0.0001463006,-0.0738627971,GGA,P3m1,AB2_hP36_156_6a6b_6a6b12c:Cd-I,36.0,AB2_hP36_156_6a6b_6a6b12c:Cd-I +mp-569611,CdI2,-2.1620388831,-0.8721647298,0.0007077585,-0.0733013391,GGA,P3m1,AB2_hP51_156_13a4b_4a13b17c:Cd-I,51.0,AB2_hP51_156_13a4b_4a13b17c:Cd-I +mp-569666,CdI2,-2.1626137933,-0.87273964,0.0001328483,-0.0738762493,GGA,P3m1,AB2_hP51_156_10a6bc_7a11b16c:Cd-I,51.0,AB2_hP51_156_10a6bc_7a11b16c:Cd-I +mp-569722,CdI2,-2.1625018233,-0.87262767,0.0002448183,-0.0737642793,GGA,P3m1,AB2_hP51_156_8a8bc_9a9b16c:Cd-I,51.0,AB2_hP51_156_8a8bc_9a9b16c:Cd-I +mp-569964,CdI2,-2.1616097879,-0.8717356346,0.0011368537,-0.0728722439,GGA,P3m1,AB2_hP24_156_2a6b_6a2b8c:Cd-I,24.0,AB2_hP24_156_2a6b_6a2b8c:Cd-I +mp-570019,CdI2,-2.1616500258,-0.8717758725,0.0010966158,-0.0729124818,GGA,P3m1,AB2_hP24_156_3a5b_5a3b8c:Cd-I,24.0,AB2_hP24_156_3a5b_5a3b8c:Cd-I +mp-582619,CdI2,-2.043128995,-0.7532548417,0.1196176467,0.045608549,GGA,P3m1,AB2_hP18_156_4abc_2a5b5c:Cd-I,18.0,AB2_hP18_156_4abc_2a5b5c:Cd-I +mp-570082,CdI2,-2.1616866733,-0.87181252,0.0010599683,-0.0729491293,GGA,P3m1,AB2_hP24_156_3a5b_5a3b8c:Cd-I,24.0,AB2_hP24_156_3a5b_5a3b8c:Cd-I +mp-570127,CdI2,-2.1616661229,-0.8717919696,0.0010805187,-0.0729285789,GGA,P3m1,AB2_hP24_156_3a4bc_5a4b7c:Cd-I,24.0,AB2_hP24_156_3a4bc_5a4b7c:Cd-I +mp-570165,CdI2,-2.1620433581,-0.8721692048,0.0007032835,-0.0733058141,GGA,P3m1,AB2_hP27_156_4a4bc_5a5b8c:Cd-I,27.0,AB2_hP27_156_4a4bc_5a5b8c:Cd-I +mp-570263,CdI2,-2.1624863748,-0.8726122215000001,0.0002602669,-0.0737488308,GGA,P3m1,AB2_hP27_156_2a2b5c_7a7b4c:Cd-I,27.0,AB2_hP27_156_2a2b5c_7a7b4c:Cd-I +mp-570314,CdI2,-2.161996313,-0.8721221596000001,0.0007503287,-0.0732587689,GGA,P3m1,AB2_hP27_156_4a5b_5a4b9c:Cd-I,27.0,AB2_hP27_156_4a5b_5a4b9c:Cd-I +mp-570410,CdI2,-2.1618687504,-0.871994597,0.0008778913,-0.0731312063,GGA,P3m1,AB2_hP27_156_3a6b_6a3b9c:Cd-I,27.0,AB2_hP27_156_3a6b_6a3b9c:Cd-I +mp-570437,CdI2,-2.1614991822,-0.8716250289,0.0012474594,-0.0727616382,GGA,P3m1,AB2_hP9_156_2ab_a2b3c:Cd-I,9.0,AB2_hP9_156_2ab_a2b3c:Cd-I +mp-570448,CdI2,-2.1626199682,-0.8727458149,0.0001266735,-0.0738824242,GGA,P3m1,AB2_hP39_156_6a7b_7a6b13c:Cd-I,39.0,AB2_hP39_156_6a7b_7a6b13c:Cd-I +mp-570472,CdI2,-2.1616469347,-0.8717727813,0.001099707,-0.0729093906,GGA,P3m1,AB2_hP15_156_2a3b_3a2b5c:Cd-I,15.0,AB2_hP15_156_2a3b_3a2b5c:Cd-I +mp-570492,CdI2,-2.1627083095,-0.8728341562,3.83322e-05,-0.0739707654,GGA,P3m1,AB2_hP39_156_6a7b_7a6b13c:Cd-I,39.0,AB2_hP39_156_6a7b_7a6b13c:Cd-I +mp-570511,CdI2,-2.161612944,-0.8717387907,0.0011336977,-0.0728753999999999,GGA,P3m1,AB2_hP15_156_4ab_a4b5c:Cd-I,15.0,AB2_hP15_156_4ab_a4b5c:Cd-I +mp-570552,CdI2,-2.1627361882,-0.8728620349,1.04535e-05,-0.0739986442,GGA,P3m1,AB2_hP39_156_4a8bc_9a5b12c:Cd-I,39.0,AB2_hP39_156_4a8bc_9a5b12c:Cd-I +mp-570559,CdI2,-2.1615596667,-0.8716855133,0.001186975,-0.0728221226,GGA,P3m1,AB2_hP15_156_2a3b_3a2b5c:Cd-I,15.0,AB2_hP15_156_2a3b_3a2b5c:Cd-I +mp-570610,CdI2,-2.1627207244,-0.8728465710000001,2.59173e-05,-0.0739831803,GGA,P3m1,AB2_hP39_156_6a7b_7a6b13c:Cd-I,39.0,AB2_hP39_156_6a7b_7a6b13c:Cd-I +mp-570613,CdI2,-2.1619840083,-0.872109855,0.0007626333,-0.0732464643,GGA,P3m1,AB2_hP18_156_3a3b_3a3b6c:Cd-I,18.0,AB2_hP18_156_3a3b_3a3b6c:Cd-I +mp-570671,CdI2,-2.1622265711,-0.8723524178000001,0.0005200706,-0.0734890271,GGA,P3m1,AB2_hP18_156_2a4b_4a2b6c:Cd-I,18.0,AB2_hP18_156_2a4b_4a2b6c:Cd-I +mp-570695,CdI2,-2.1616289544,-0.8717548011,0.0011176872,-0.0728914104,GGA,P3m1,AB2_hP18_156_2a3bc_4a3b5c:Cd-I,18.0,AB2_hP18_156_2a3bc_4a3b5c:Cd-I +mp-571037,CdI2,-2.1615755943,-0.871701441,0.0011710474,-0.0728380502,GGA,P3m1,AB2_hP21_156_3a4b_4a3b7c:Cd-I,21.0,AB2_hP21_156_3a4b_4a3b7c:Cd-I +mp-570781,CdI2,-2.1626844822,-0.8728103289,6.21594e-05,-0.0739469382,GGA,P3m1,AB2_hP18_156_2a3bc_4a3b5c:Cd-I,18.0,AB2_hP18_156_2a3bc_4a3b5c:Cd-I +mp-571091,CdI2,-2.16156461,-0.8716904567,0.0011820317,-0.072827066,GGA,P3m1,AB2_hP21_156_2a5b_5a2b7c:Cd-I,21.0,AB2_hP21_156_2a5b_5a2b7c:Cd-I +mp-571136,CdI2,-2.1618452229,-0.8719710695,0.0009014188,-0.0731076788,GGA,P3m1,AB2_hP21_156_2a5b_5a2b7c:Cd-I,21.0,AB2_hP21_156_2a5b_5a2b7c:Cd-I +mp-570882,CdI2,-2.1616024628,-0.8717283094,0.0011441789,-0.0728649187,GGA,P3m1,AB2_hP18_156_5ab_a5b6c:Cd-I,18.0,AB2_hP18_156_5ab_a5b6c:Cd-I +mp-571197,CdI2,-2.1616417452,-0.8717675919000001,0.0011048964,-0.0729042012,GGA,P3m1,AB2_hP21_156_2a5b_5a2b7c:Cd-I,21.0,AB2_hP21_156_2a5b_5a2b7c:Cd-I +mp-570939,CdI2,-2.1625758094,-0.8727016561000001,0.0001708322,-0.0738382654,GGA,P3m1,AB2_hP18_156_2a4b_4a2b6c:Cd-I,18.0,AB2_hP18_156_2a4b_4a2b6c:Cd-I +mp-571225,CdI2,-2.1626562676,-0.8727821143000001,9.0374e-05,-0.0739187236,GGA,P3m1,AB2_hP21_156_3a3bc_4a4b6c:Cd-I,21.0,AB2_hP21_156_3a3bc_4a4b6c:Cd-I +mp-627401,CdI2,-2.1539120327,-0.8640378793,0.008834609,-0.0651744886,GGA,R3m,AB2_hR45_160_5a_10a:Cd-I,15.0,AB2_hR45_160_5a_10a:Cd-I +mp-574663,CdI2,-2.1254590733,-0.8355849200000001,0.0372875683,-0.0367215293,GGA,R3m,AB2_hR36_160_4a_8a:Cd-I,12.0,AB2_hR36_160_4a_8a:Cd-I +mp-1188728,CdI2,-2.1546509583,-0.8647768050000001,0.0080956833,-0.0659134143,GGA,R3m,AB2_hR54_160_6a_12a:Cd-I,18.0,AB2_hR54_160_6a_12a:Cd-I +mp-567259,CdI2,-2.16096709,-0.8710929367,0.0017795517,-0.072229546,GGA,P-3m1,AB2_hP3_164_a_d:Cd-I,3.0,AB2_hP3_164_a_d:Cd-I +mp-567296,CdI2,-2.1612271933,-0.87135304,0.0015194483,-0.0724896493,GGA,P-3m1,AB2_hP9_164_ad_c2d:Cd-I,9.0,"Invalid WP multiplicities - AB2_hP9_164_ad_c4d:Cd-I, expected Cd3I10 to be CdI2" +mp-567336,CdI2,-2.161660315,-0.8717861617,0.0010863267,-0.072922771,GGA,P-3m1,AB2_hP12_164_abd_c3d:Cd-I,12.0,"Invalid WP multiplicities - AB2_hP12_164_abd_2c6d:Cd-I, expected CdI4 to be CdI2" +mp-567359,CdI2,-2.1615714607,-0.8716973073000001,0.001175181,-0.0728339166,GGA,P-3m1,AB2_hP15_164_acd_c4d:Cd-I,15.0,AB2_hP15_164_a2c2d_2c7d:Cd-I +mp-567402,CdI2,-2.1615503344,-0.8716761811,0.0011963072,-0.0728127904,GGA,P-3m1,AB2_hP18_164_2cd_c5d:Cd-I,18.0,"Invalid WP multiplicities - AB2_hP18_164_4c2d_2c7d:Cd-I, expected Cd2I3 to be CdI2" +mp-567442,CdI2,-2.1614890406,-0.8716148872,0.0012576011,-0.0727514965,GGA,P-3m1,AB2_hP18_164_abcd_c5d:Cd-I,18.0,"Invalid WP multiplicities - AB2_hP18_164_ab2c2d_c8d:Cd-I, expected Cd5I9 to be CdI2" +mp-567483,CdI2,-2.1618382656,-0.8719641122,0.0009083761,-0.0731007215,GGA,P-3m1,AB2_hP18_164_abcd_c5d:Cd-I,18.0,"Invalid WP multiplicities - AB2_hP18_164_ab2cd_2c10d:Cd-I, expected CdI3 to be CdI2" +mp-567534,CdI2,-2.1615738271,-0.8716996738,0.0011728146,-0.072836283,GGA,P-3m1,AB2_hP24_164_abc2d_2c6d:Cd-I,24.0,"Invalid WP multiplicities - AB2_hP24_164_ab2c3d_4c12d:Cd-I, expected Cd3I8 to be CdI2" +mp-567567,CdI2,-2.1618575144,-0.8719833611000001,0.0008891272,-0.0731199704,GGA,P-3m1,AB2_hP27_164_a2c2d_2c7d:Cd-I,27.0,"Invalid WP multiplicities - AB2_hP27_164_a4c3d_4c14d:Cd-I, expected Cd5I12 to be CdI2" +mp-573588,CdI2,-2.1244665992,-0.8345924458,0.0382800425,-0.0357290551,GGA,R-3m,AB2_hR36_166_2c_4c:Cd-I,12.0,AB2_hR36_166_3c_6c:Cd-I +mp-573608,CdI2,-2.124166035,-0.8342918817,0.0385806067,-0.035428491,GGA,R-3m,AB2_hR36_166_abc_4c:Cd-I,12.0,"Invalid WP multiplicities - AB2_hR36_166_abc_8c:Cd-I, expected CdI4 to be CdI2" +mp-568233,CdI2,-2.1546802133,-0.86480606,0.0080664283,-0.0659426693,GGA,R-3m,AB2_hR18_166_ab_2c:Cd-I,6.0,"Invalid WP multiplicities - AB2_hR18_166_ab_4c:Cd-I, expected CdI4 to be CdI2" +mp-568289,CdI2,-2.1610449044,-0.8711707511000001,0.0017017372,-0.0723073604,GGA,R-3m,AB2_hR27_166_ac_3c:Cd-I,9.0,"Invalid WP multiplicities - AB2_hR27_166_a2c_3c:Cd-I, expected Cd5I6 to be CdI2" +mp-28248,CdI2,-2.1621416583,-0.872267505,0.0006049833,-0.0734041143,GGA,P6_3mc,AB2_hP6_186_b_ab:Cd-I,6.0,AB2_hP6_186_b_ab:Cd-I +mp-569994,CdI2,-2.1615448542,-0.8716707008000001,0.0012017875,-0.0728073101,GGA,P6_3mc,AB2_hP12_186_2b_2a2b:Cd-I,12.0,AB2_hP12_186_4b_4a4b:Cd-I +mp-570054,CdI2,-2.1616136621,-0.8717395088000001,0.0011329796,-0.072876118,GGA,P6_3mc,AB2_hP24_186_4b_4a4b:Cd-I,24.0,AB2_hP24_186_8b_8a8b:Cd-I +mp-570089,CdI2,-2.1626353456,-0.8727611922,0.0001112961,-0.0738978015,GGA,P6_3mc,AB2_hP36_186_6b_6a6b:Cd-I,36.0,"Invalid WP multiplicities - AB2_hP36_186_10b_12a12b:Cd-I, expected Cd5I12 to be CdI2" +mp-28026,TcP4,-6.813172755,-0.4104029607,0.0,-0.0548600977,GGA,Pbca,A4B_oP40_61_4c_c:P-Tc,40.0,A4B_oP40_61_4c_c:P-Tc +mp-11690,Tc2P3,-7.92620539,-0.5339683080000001,0.0,-0.1190394503,GGA,C2/m,A3B2_mC20_12_3i_2i:P-Tc,10.0,A3B2_mC20_12_3i_2i:P-Tc +mp-28029,TcP3,-7.094565195,-0.4444285788,0.0,-0.0031342813,GGA,Pnma,A3B_oP16_62_3c_c:P-Tc,16.0,A3B_oP16_62_3c_c:P-Tc +mp-1093695,SiTc2P,-5.2984402875,2.5915343192,3.0793138375,3.0793138375,GGA,Immm,ABC2_oI8_71_a_b_e:P-Si-Tc,4.0,ABC2_oI8_71_a_b_e:P-Si-Tc +mp-17449,Tc3P,-9.4699010106,-0.3460961752,0.0,-0.1236093802,GGA,I-4,AB3_tI32_82_g_3g:P-Tc,16.0,AB3_tI32_121_f_g2i:P-Tc +mp-19836,Tb3TlC,-3.486166062,1.6127153258,1.9070490168,1.9070490168,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Tb-Tl,5.0,AB3C_cP5_221_a_c_b:C-Tb-Tl +mp-20004,Zr2InC,-7.9611126737,-0.6921750531,0.0,-0.1247272097,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-Zr,8.0,ABC2_hP8_194_a_c_f:C-In-Zr +mp-1182877,AlO3,-5.9103769625,-1.2639664716,0.946029415,0.946029415,GGA,P-1,AB3_aP8_2_i_3i:Al-O,8.0,AB3_aP8_2_i_3i:Al-O +mp-1182887,AlO3,-6.1088945663,-1.4624840753,0.7475118112,0.7475118112,GGA,P-1,AB3_aP16_2_2i_6i:Al-O,16.0,AB3_aP16_2_2i_6i:Al-O +mp-2646975,AlO3,-6.4029191825,-1.7565086916,0.453487195,0.453487195,GGA,C2,AB3_mC16_5_c_3c:Al-O,8.0,"Invalid WP multiplicities - AB3_mC16_5_c_6c:Al-O, expected AlO6 to be AlO3" +mp-1182886,AlO3,-6.1234116316,-1.4770011406,0.7329947459,0.7329947459,GGA,P2_1/c,AB3_mP32_14_2e_6e:Al-O,32.0,AB3_mP32_14_2e_6e:Al-O +mp-1182915,AlO3,-5.9271113978,-1.2807009069,0.9292949797,0.9292949797,GGA,P2_1/c,AB3_mP32_14_2e_6e:Al-O,32.0,AB3_mP32_14_2e_6e:Al-O +mp-1205393,AlO3,-6.1092704837,-1.4628599928,0.7471358937,0.7471358937,GGA,C2/c,AB3_mC32_15_f_3f:Al-O,16.0,AB3_mC32_15_f_3f:Al-O +mp-1182911,AlO3,-5.8783718025,-1.2319613116,0.978034575,0.978034575,GGA,Pbca,AB3_oP32_61_c_3c:Al-O,32.0,"Invalid WP multiplicities - AB3_oP32_61_c_6c:Al-O, expected AlO6 to be AlO3" +mp-1182868,AlO3,-6.1340033263,-1.4875928353,0.7224030512,0.7224030512,GGA,P-31m,AB3_hP8_162_c_k:Al-O,8.0,AB3_hP8_162_c_k:Al-O +mp-35200,AlO3,-6.2345504312,-1.5881399403,0.6218559462000001,0.6218559462000001,GGA,R-3c,AB3_hR24_167_b_e:Al-O,8.0,AB3_hR24_167_b_e:Al-O +mp-1253219,AlO3,-6.2350995725,-1.5886890816,0.621306805,0.621306805,GGA,R-3c,AB3_hR24_167_b_e:Al-O,8.0,AB3_hR24_167_b_e:Al-O +mp-1245110,Al2O,-5.8664344557,-1.7204876653,0.1835758815,0.1835758815,GGA,P1,A2B_aP54_1_36a_18a:Al-O,54.0,A2B_aP54_1_36a_18a:Al-O +mp-1245215,Al2O,-5.8664966961000005,-1.7205499057,0.1835136411,0.1835136411,GGA,P1,A2B_aP54_1_36a_18a:Al-O,54.0,A2B_aP54_1_36a_18a:Al-O +mp-8022,Al2O,-4.2879057367,-0.1419589462,1.7621046006,1.7621046006,GGA,Fm-3m,A2B_cF12_225_c_a:Al-O,3.0,A2B_cF12_225_c_a:Al-O +mp-684677,Al2O3,-7.7323984515,-3.2661548928,0.1611594915,-0.0248275925,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-723985,Al2O3,-5.332559293,-0.8663157342000001,2.56099865,2.375011566,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-684713,Al2O3,-7.690615151,-3.2243715923,0.202942792,0.016955708,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-684990,Al2O3,-7.6987152397,-3.2324716809,0.1948427033,0.0088556193,GGA,P1,A2B3_aP30_1_12a_18a:Al-O,30.0,A2B3_aP30_1_12a_18a:Al-O +mp-685036,Al2O3,-7.7827666483,-3.3165230895,0.1107912947,-0.0751957893,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-752826,Al2O3,-7.8148155812,-3.3485720225,0.0787423618,-0.1072447222,GGA,P1,A2B3_aP25_1_10a_15a:Al-O,25.0,A2B3_aP25_1_10a_15a:Al-O +mp-684591,Al2O3,-7.7681717303,-3.3019281715,0.1253862127,-0.0606008713,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-1244868,Al2O3,-7.6779150236,-3.2116714648,0.2156429194,0.0296558354,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244874,Al2O3,-7.654094185,-3.1878506263,0.239463758,0.053476674,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244878,Al2O3,-7.6886207742,-3.2223772154,0.2049371688,0.0189500848,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244887,Al2O3,-7.6751877893,-3.2089442306,0.2183701537,0.0323830697,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244892,Al2O3,-7.6470464927,-3.1808029339,0.2465114503,0.0605243663,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244898,Al2O3,-7.663849145,-3.1976055863,0.229708798,0.043721714,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244909,Al2O3,-7.7220958222,-3.2558522635,0.1714621208,-0.0145249632,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244918,Al2O3,-7.6071889487,-3.1409453899,0.2863689943,0.1003819103,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244928,Al2O3,-7.6599108953,-3.1936673366,0.2336470477,0.0476599637,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244930,Al2O3,-7.7114607658,-3.2452172071,0.1820971772,-0.0038899068,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244937,Al2O3,-7.6795365803,-3.2132930216,0.2140213627,0.0280342787,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244940,Al2O3,-7.7043931799,-3.2381496212,0.1891647631,0.0031776791,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244947,Al2O3,-7.7250083437,-3.258764785,0.1685495993,-0.0174374847,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244954,Al2O3,-7.6993844754,-3.2331409167,0.1941734676,0.0081863836,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244967,Al2O3,-7.7219485213,-3.2557049626,0.1716094217,-0.0143776623,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244970,Al2O3,-7.6528563689,-3.1866128101,0.2407015741,0.0547144901,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244981,Al2O3,-7.4591467548,-2.9929031961,0.4344111882,0.2484241042,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244982,Al2O3,-7.6996426975,-3.2333991387,0.1939152455,0.0079281615,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244992,Al2O3,-7.6869888787,-3.22074532,0.2065690643,0.0205819803,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244994,Al2O3,-7.6547197964,-3.1884762376,0.2388381466,0.0528510626,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1244997,Al2O3,-7.6226904228,-3.1564468641,0.2708675202,0.0848804362,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245008,Al2O3,-7.6736938589,-3.2074503002,0.2198640841,0.0338770001,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245023,Al2O3,-7.6649251506,-3.1986815919,0.2286327924,0.0426457084,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245024,Al2O3,-7.6808641438,-3.2146205851,0.2126937992,0.0267067152,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245036,Al2O3,-7.6624379091,-3.1961943504,0.2311200339,0.0451329499,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245037,Al2O3,-7.7017427954,-3.2354992367,0.1918151476,0.0058280636,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245043,Al2O3,-7.6717360528,-3.2054924941,0.2218218902,0.0358348062,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245052,Al2O3,-7.7017768356,-3.2355332769,0.1917811074,0.0057940234,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245055,Al2O3,-7.6766329801,-3.2103894214,0.2169249629,0.0309378789,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245056,Al2O3,-7.7268811968,-3.260637638,0.1666767462,-0.0193103378,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245063,Al2O3,-7.6896037807,-3.223360222,0.2039541623,0.0179670783,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245065,Al2O3,-7.6761492546,-3.2099056958,0.2174086884,0.0314216044,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245080,Al2O3,-7.7165624479,-3.2503188892,0.1769954951,-0.0089915889,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245081,Al2O3,-7.6924346758,-3.2261911171,0.2011232672,0.0151361832,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245104,Al2O3,-7.627685575,-3.1614420163,0.265872368,0.079885284,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245111,Al2O3,-7.7328607481,-3.2666171894,0.1606971949,-0.0252898891,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245173,Al2O3,-7.7396072967,-3.273363738,0.1539506463,-0.0320364377,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245183,Al2O3,-7.6933739283,-3.2271303696,0.2001840147,0.0141969307,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245191,Al2O3,-7.7157683694,-3.2495248107,0.1777895736,-0.0081975104,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245196,Al2O3,-7.6615346081,-3.1952910494,0.2320233349,0.0460362509,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245234,Al2O3,-7.6843906137,-3.218147055,0.2091673293,0.0231802453,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245237,Al2O3,-7.6750981439,-3.2088545851,0.2184597991,0.0324727151,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245251,Al2O3,-7.684821382,-3.2185778232,0.208736561,0.022749477,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245254,Al2O3,-7.6551440356,-3.1889004769,0.2384139074,0.0524268234,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245262,Al2O3,-7.7333581039,-3.2671145452,0.1601998391,-0.0257872449,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245265,Al2O3,-7.6621942962,-3.1959507375,0.2313636468,0.0453765628,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245279,Al2O3,-7.6999864039,-3.2337428452,0.1935715391,0.0075844551,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1245323,Al2O3,-7.476701858,-3.0104582993,0.416856085,0.230869001,GGA,P1,A2B3_aP100_1_40a_60a:Al-O,100.0,A2B3_aP100_1_40a_60a:Al-O +mp-1247839,Al2O3,-7.3522227493,-2.8859791905,0.5413351937,0.3553481097,GGA,P1,A2B3_aP80_1_32a_48a:Al-O,80.0,A2B3_aP80_1_32a_48a:Al-O +mp-1247846,Al2O3,-7.679089871,-3.2128463122,0.214468072,0.028480988,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-1247880,Al2O3,-7.793823888,-3.3275803292,0.099734055,-0.086253029,GGA,P1,A2B3_aP45_1_18a_27a:Al-O,45.0,A2B3_aP45_1_18a_27a:Al-O +mp-1247896,Al2O3,-7.6988564138,-3.232612855,0.1947015292,0.0087144452,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-1359927,Al2O3,-6.9542894315,-2.4880458727,0.9392685115,0.7532814275,GGA,P1,A2B3_aP40_1_16a_24a:Al-O,40.0,A2B3_aP40_1_16a_24a:Al-O +mp-638765,Al2O3,-7.093593375,-2.6273498163,0.799964568,0.6139774840000001,GGA,P-1,A2B3_aP10_2_2i_3i:Al-O,10.0,A2B3_aP10_2_4i_6i:Al-O +mp-1247914,Al2O3,-7.800680143,-3.3344365843,0.0928778,-0.093109284,GGA,Pm,A2B3_mP30_6_4a8b_8a10b:Al-O,30.0,A2B3_mP30_6_4a8b_8a10b:Al-O +mp-32591,Al2O3,-7.8364608441,-3.3702172854,0.0570970989,-0.1288899851,GGA,Cm,A2B3_mC160_8_20a6b_24a12b:Al-O,80.0,"Invalid WP multiplicities - A2B3_mC160_8_20a11b_24a24b:Al-O, expected Al7O12 to be Al2O3" +mp-1247845,Al2O3,-6.7997485528,-2.3335049941,1.0938093902,0.9078223062,GGA,Cm,A2B3_mC50_8_10a_15a:Al-O,25.0,A2B3_mC50_8_10a_15a:Al-O +mp-2637304,Al2O3,-7.110377892,-2.6441343333000003,0.7831800510000001,0.597192967,GGA,P2/m,A2B3_mP10_10_mn_2mn:Al-O,10.0,A2B3_mP10_10_2m2n_2m4n:Al-O +mp-782035,Al2O3,-7.8034800103,-3.3372364516,0.0900779327,-0.0959091513,GGA,P2_1/m,A2B3_mP30_11_6e_9e:Al-O,30.0,"Invalid WP multiplicities - A2B3_mP30_11_11e_17e:Al-O, expected Al11O17 to be Al2O3" +mp-7048,Al2O3,-7.884176721,-3.4179331623,0.009381222,-0.176605862,GGA,C2/m,A2B3_mC20_12_2i_3i:Al-O,10.0,A2B3_mC20_12_2i_3i:Al-O +mp-754812,Al2O3,-7.840723365,-3.3744798062,0.052834578,-0.133152506,GGA,C2/m,A2B3_mC20_12_2i_3i:Al-O,10.0,"Invalid WP multiplicities - A2B3_mC20_12_4i_4i:Al-O, expected AlO to be Al2O3" +mp-1245211,Al2O3,-7.851839416,-3.3855958573,0.041718527,-0.144268557,GGA,C2/m,A2B3_mC80_12_e5ij_6i3j:Al-O,40.0,"Invalid WP multiplicities - A2B3_mC80_12_2e9i4j_12i9j:Al-O, expected Al19O30 to be Al2O3" +mp-759943,Al2O3,-7.8584226261,-3.3921790674,0.0351353169,-0.1508517671,GGA,P2/c,A2B3_mP80_13_ae7g_12g:Al-O,80.0,"Invalid WP multiplicities - A2B3_mP80_13_a2e21g_45g:Al-O, expected AlO2 to be Al2O3" +mp-754531,Al2O3,-7.817103525,-3.3508599663,0.076454418,-0.109532666,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Al-O,20.0,"Invalid WP multiplicities - A2B3_mP20_14_3e_9e:Al-O, expected AlO3 to be Al2O3" +mp-755066,Al2O3,-7.8048157255,-3.3385721668,0.0887422175,-0.0972448665,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Al-O,20.0,"Invalid WP multiplicities - A2B3_mP20_14_5e_9e:Al-O, expected Al5O9 to be Al2O3" +mp-32570,Al2O3,-7.861147509,-3.3949039502,0.032410434,-0.15357665,GGA,C2/c,A2B3_mC80_15_ae3f_6f:Al-O,40.0,"Invalid WP multiplicities - A2B3_mC80_15_2c2e11f_22f:Al-O, expected Al13O22 to be Al2O3" +mp-1182923,Al2O3,-7.797637266,-3.3313937072,0.095920677,-0.090066407,GGA,C2/c,A2B3_mC20_15_f_ef:Al-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Al-O, expected AlO4 to be Al2O3" +mp-2254,Al2O3,-7.8766709022,-3.4104273435,0.0168870408,-0.1691000433,GGA,Pna2_1,A2B3_oP40_33_4a_6a:Al-O,40.0,"Invalid WP multiplicities - A2B3_oP40_33_9a_22a:Al-O, expected Al9O22 to be Al2O3" +mp-754401,Al2O3,-7.847957841,-3.3817142823,0.045600102,-0.140386982,GGA,Cmc2_1,A2B3_oC20_36_b_ab:Al-O,10.0,"Invalid WP multiplicities - A2B3_oC20_36_b_2ab:Al-O, expected AlO2 to be Al2O3" +mp-1247899,Al2O3,-7.7976324,-3.3313888413,0.095925543,-0.090061541,GGA,Pnnm,A2B3_oP10_58_g_ag:Al-O,10.0,"Invalid WP multiplicities - A2B3_oP10_58_g_2a2g:Al-O, expected AlO3 to be Al2O3" +mp-1938,Al2O3,-7.8002020295,-3.3339584707,0.0933559135,-0.0926311705,GGA,Pbcn,A2B3_oP20_60_d_cd:Al-O,20.0,A2B3_oP20_60_d_cd:Al-O +mp-776490,Al2O3,-7.8457480205,-3.3795044617,0.0478099225,-0.1381771615,GGA,Pbca,A2B3_oP40_61_2c_3c:Al-O,40.0,"Invalid WP multiplicities - A2B3_oP40_61_9c_9c:Al-O, expected AlO to be Al2O3" +mp-642363,Al2O3,-7.613108317,-3.1468647582,0.280449626,0.094462542,GGA,Cmcm,A2B3_oC20_63_ac_cf:Al-O,10.0,"Invalid WP multiplicities - A2B3_oC20_63_2ac_2c3f:Al-O, expected Al3O8 to be Al2O3" +mp-754624,Al2O3,-7.828062417,-3.3618188582,0.065495526,-0.120491558,GGA,R-3,A2B3_hR30_148_abc_f:Al-O,10.0,A2B3_hR30_148_abc_f:Al-O +mp-985587,Al2O3,-7.6834997107,-3.2172561519,0.2100582323,0.0240711483,GGA,P321,A2B3_hP15_150_c2d_eg:Al-O,15.0,A2B3_hP15_150_2c3d_e2g:Al-O +mp-755483,Al2O3,-7.802557562,-3.3363140033,0.091000381,-0.094986703,GGA,R3m,A2B3_hR15_160_2a_3a:Al-O,5.0,A2B3_hR15_160_2a_3a:Al-O +mp-755175,Al2O3,-7.8215461545,-3.3553025957,0.0720117885,-0.1139752955,GGA,P-31c,A2B3_hP20_163_bcf_i:Al-O,20.0,"Invalid WP multiplicities - A2B3_hP20_163_b2c3f_i:Al-O, expected Al3O2 to be Al2O3" +mp-1228448,Al2O3,-7.65073673,-3.1844931712,0.242821213,0.056834129,GGA,P-3m1,A2B3_hP5_164_c_ad:Al-O,5.0,A2B3_hP5_164_c_ad:Al-O +mp-1143,Al2O3,-7.893557943,-3.4273143843,0.0,-0.185987084,GGA,R-3c,A2B3_hR30_167_c_e:Al-O,10.0,A2B3_hR30_167_c_e:Al-O +mp-2352722,Al2O3,-7.6963099367,-3.2300663779,0.1972480063,0.0112609223,GGA,P-6m2,A2B3_hP5_187_h_ai:Al-O,15.0,"Invalid WP multiplicities - A2B3_hP5_187_h_a2i:Al-O, expected Al2O5 to be Al2O3" +mp-776475,Al2O3,-7.8637933062,-3.3975497475,0.0297646368,-0.1562224473,GGA,Ia-3,A2B3_cI80_206_ad_e:Al-O,40.0,"Invalid WP multiplicities - A2B3_cI80_206_2a2d_e:Al-O, expected Al4O3 to be Al2O3" +mp-1105018,Al2O3,-7.022884566,-2.5566410073,0.870673377,0.6846862930000001,GGA,Pn-3m,A2B3_cP10_224_b_d:Al-O,10.0,A2B3_cP10_224_b_d:Al-O +mp-1229215,Al11O18,-7.8441913772,-3.3530972072000003,0.0,-0.1030577048,GGA,P2_1/m,A11B18_mP58_11_a5f_2e8f:Al-O,58.0,"Invalid WP multiplicities - A11B18_mP58_11_a14f_2e26f:Al-O, expected Al29O54 to be Al11O18" +mp-1245113,Al38O21,-6.0271305759,-1.8540399916,0.1791126092,0.1791126092,GGA,P1,A38B21_aP59_1_38a_21a:Al-O,59.0,A38B21_aP59_1_38a_21a:Al-O +mp-1245250,Al38O21,-6.0196378344,-1.8465472501,0.1866053508,0.1866053508,GGA,P1,A38B21_aP59_1_38a_21a:Al-O,59.0,A38B21_aP59_1_38a_21a:Al-O +mp-1182893,Al5O8,-7.7170050108,-3.2322827923,0.1398444603,0.1398444603,GGA,P6_3mc,A5B8_hP26_186_2bc_ab2c:Al-O,26.0,A5B8_hP26_186_2bc_ab2c:Al-O +mp-1228138,Al5O8,-7.6389194385,-3.15419722,0.2179300326,0.2179300326,GGA,F-43m,A5B8_cF52_216_ae_2e:Al-O,13.0,A5B8_cF52_216_ae_2e:Al-O +mp-8023,AlO,-5.898884055,-1.5527517844,1.3033435358,1.3033435358,GGA,Fm-3m,AB_cF8_225_a_b:Al-O,2.0,AB_cF8_225_a_b:Al-O +mp-1244893,Al8O3,-5.4631860241,-1.3900339538,0.1678362209,0.1678362209,GGA,P1,A8B3_aP44_1_32a_12a:Al-O,44.0,A8B3_aP44_1_32a_12a:Al-O +mp-1183115,AcAlO3,-8.232146192,-3.6907827978,0.0,-0.1079097725,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Al-O,5.0,ABC3_cP5_221_a_b_c:Ac-Al-O +mp-1182858,AlO2,-7.218398645,-2.6720808942,0.2745802879,0.2745802879,GGA,Pnnm,AB2_oP6_58_a_g:Al-O,6.0,AB2_oP6_58_a_g:Al-O +mp-734251,AlO2,-6.9673469817,-2.4210292308,0.5256319512000001,0.5256319512000001,GGA,Pnma,AB2_oP12_62_c_2c:Al-O,12.0,AB2_oP12_62_c_2c:Al-O +mp-1182869,AlO2,-7.17352377,-2.6272060192,0.3194551629,0.3194551629,GGA,Pnma,AB2_oP12_62_c_2c:Al-O,12.0,AB2_oP12_62_c_2c:Al-O +mp-1096799,AlO2,-7.1073688267,-2.5610510758,0.3856101062,0.3856101062,GGA,Cmcm,AB2_oC12_63_c_2c:Al-O,6.0,AB2_oC12_63_c_2c:Al-O +mp-1182900,AlO2,-7.0467126142,-2.5003948633,0.4462663187,0.4462663187,GGA,Cmcm,AB2_oC12_63_c_ac:Al-O,12.0,AB2_oC12_63_c_ac:Al-O +mp-1198370,Ca11Sn3C8,-5.2535619305,-0.3481238311,0.0,-0.0833239728,GGA,P2_1/c,A8B11C3_mP88_14_8e_11e_3e:C-Ca-Sn,88.0,A8B11C3_mP88_14_8e_11e_3e:C-Ca-Sn +mp-1095799,YNbTc2,-5.7283221675,3.5939413433,3.7375887961,3.7375887961,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Tc-Y,4.0,AB2C_oI8_71_a_e_b:Nb-Tc-Y +mp-570728,CeNdI4,-4.2401185208,-1.4743348562,0.0862916144,0.0862916144,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ce-I-Nd,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_4f_e:Ce-I-Nd, expected CeNdI8 to be CeNdI4" +mp-1025426,CeI3,-4.3092012812,-1.72090423,0.0,-1.6317781162,GGA,Cmcm,AB3_oC16_63_c_cf:Ce-I,8.0,AB3_oC16_63_c_cf:Ce-I +mp-1183849,CeI3,-4.2602677325,-1.6719706812,0.0489335488,-1.5828445675,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-I,8.0,AB3_hP8_194_c_h:Ce-I +mp-1183731,Ce3I,-5.085536795,-0.2673783413,0.3062564021,0.3062564021,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-I,8.0,A3B_hP8_194_h_c:Ce-I +mp-1002109,VCo,-8.18224504,-0.0861331075,0.0982185342,0.0982185342,GGA,Pm-3m,AB_cP2_221_a_b:Co-V,2.0,AB_cP2_221_a_b:Co-V +mp-1216457,V6CoRh,-8.8717966,-0.2497888394,0.0091916725,0.0091916725,GGA,Pm-3,ABC6_cP8_200_a_b_f:Co-Rh-V,8.0,ABC6_cP8_200_a_b_f:Co-Rh-V +mp-1216400,VCo4,-7.452593848,0.050841602,0.1888293807,0.1888293807,GGA,R-3m,A4B_hR15_166_2c_a:Co-V,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Co-V, expected VCo6 to be VCo4" +mp-1216405,VCo3,-7.5544413875,0.0477734762,0.2202581996,0.1131796629,GGA,R-3m,A3B_hR12_166_ac_b:Co-V,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:Co-V, expected VCo5 to be VCo3" +mp-680599,VCo3,-6.6084385917,0.9937762721,1.1662609954,1.0591824587,GGA,P6/mmm,A3B_hP24_191_io_eh:Co-V,24.0,"Invalid WP multiplicities - A3B_hP24_191_5i4o_2e3h:Co-V, expected V8Co39 to be VCo3" +mp-542614,VCo3,-7.7746995871,-0.1724847233,0.0,-0.1070785367,GGA,P6_3/mmc,A3B_hP24_194_hk_bf:Co-V,24.0,A3B_hP24_194_hk_bf:Co-V +mp-1095057,VCo3,-7.7678864975,-0.1656716338,0.0068130896,-0.1002654471,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-V,8.0,A3B_hP8_194_h_c:Co-V +mp-1017529,VCo3,-7.7713669025,-0.1691520388,0.0033326846,-0.1037458521,GGA,Pm-3m,A3B_cP4_221_c_a:Co-V,4.0,A3B_cP4_221_c_a:Co-V +mp-1585,V3Co,-8.7862275612,-0.19621856,0.0,-0.1387236522,GGA,Pm-3n,AB3_cP8_223_a_c:Co-V,8.0,AB3_cP8_223_a_c:Co-V +mp-1215168,ZrVMo,-9.6072558,-0.1148368633,0.0,-0.0385866278,GGA,Imma,ABC_oI12_74_a_c_e:Mo-V-Zr,6.0,ABC_oI12_74_a_c_e:Mo-V-Zr +mp-1105706,Tb7CoI12,-4.343406528,-1.4819426933,0.0,-0.0926377896,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Co-I-Tb,20.0,AB12C7_hR60_148_a_2f_bf:Co-I-Tb +mp-567614,Tb2Co2I,-5.6783689,-0.686622072,0.0,-0.075455417,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Co-I-Tb,10.0,A2BC2_hP10_194_f_c_e:Co-I-Tb +mp-1207705,TmRhO3,-7.946072353,-2.6100304676,0.0,-0.0143678005,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Tm,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Tm +mp-979934,YErHg2,-3.40364761,-0.4932599467,0.00737378,0.00737378,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Er-Hg-Y +mp-998333,CsCaI3,-3.317324766,-1.8531045056,0.0208026815,0.008103472,GGA,Cm,ABC3_mC10_8_a_a_ab:Ca-Cs-I,5.0,"Invalid WP multiplicities - ABC3_mC10_8_a_a_a2b:Ca-Cs-I, expected CsCaI5 to be CsCaI3" +mp-998428,CsCaI3,-3.3381274475,-1.8739071871,0.0,-0.0126992095,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ca-Cs-I,20.0,ABC3_oP20_62_c_c_3c:Ca-Cs-I +mp-1213688,CsCaI3,-3.327886959,-1.8636666986,0.0102404885,-0.002458721,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ca-Cs-I,20.0,ABC3_oP20_62_a_c_cd:Ca-Cs-I +mp-1076992,UIrPt4,-7.7577461017,-0.3553498567,0.160867187,0.160867187,GGA,F-43m,AB4C_cF24_216_a_e_c:Ir-Pt-U,6.0,AB4C_cF24_216_a_e_c:Ir-Pt-U +mp-1096199,Y2PbAu,-3.3768058175,1.6030620067,2.3104990142,2.3104990142,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Au-Pb-Y +mp-1093868,YPbAu2,-2.96350305,1.2182174958,1.864347465,1.864347465,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pb-Y,4.0,A2BC_oI8_71_e_a_b:Au-Pb-Y +mp-621592,YPbAu,-5.1723417233,-0.6880083289000001,0.0,-0.0604023167,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Pb-Y,3.0,ABC_cF12_216_c_a_b:Au-Pb-Y +mp-1246622,Cd3SbN,-2.8042878805,0.2425452085,0.295910871,0.295910871,GGA,Pnma,A3BC_oP20_62_cd_a_c:Cd-N-Sb,20.0,A3BC_oP20_62_cd_a_c:Cd-N-Sb +mp-1246151,Zr4Te3N2,-7.9442524019,-1.2449512853,0.2230810514,0.2230810514,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-Te-Zr,36.0,A2B3C4_oP36_62_d_cd_2cd:N-Te-Zr +mp-1247548,Zr7(Te2N)4,-7.3471641574,-1.1194625123,0.2822501421,0.2822501421,GGA,P1,A4B8C7_aP19_1_4a_8a_7a:N-Te-Zr,19.0,A4B8C7_aP19_1_4a_8a_7a:N-Te-Zr +mp-1245823,Sr3(OsN2)2,-7.0822441778,-0.3190002978,0.292307833,0.292307833,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Os-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Os-Sr +mp-1245563,Sr3(OsN2)2,-7.1807576958,-0.4175138158,0.1937943149,0.1937943149,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Os-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Os-Sr +mp-1247424,Sr3Os3N5,-7.6060910564,-0.2939949405,0.2563477298,0.2563477298,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Os-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Os-Sr +mp-1247405,SrOsN2,-7.73777888,-0.3403161967,0.2101642675,0.2101642675,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Os-Sr,16.0,A2BC_mP16_14_2e_e_e:N-Os-Sr +mp-999317,OsN,-9.542411645,0.2395195325,0.2395195325,0.2395195325,GGA,Pmn2_1,AB_oP4_31_a_a:N-Os,4.0,AB_oP4_31_a_a:N-Os +mp-1078828,OsN,-9.3874676275,0.39446355,0.39446355,0.39446355,GGA,Cmc2_1,AB_oC16_36_2a_2a:N-Os,8.0,AB_oC16_36_2a_2a:N-Os +mp-999307,OsN,-9.33228804,0.4496431375,0.4496431375,0.4496431375,GGA,P4_2/mmc,AB_tP4_131_e_c:N-Os,4.0,AB_tP4_131_e_c:N-Os +mp-1009496,OsN,-9.2900691,0.4918620775,0.4918620775,0.4918620775,GGA,F-43m,AB_cF8_216_a_c:N-Os,2.0,AB_cF8_216_a_c:N-Os +mp-1018849,OsN,-9.3090959467,0.4728352308,0.4728352308,0.4728352308,GGA,Pm-3m,AB_cP6_221_c_d:N-Os,6.0,AB_cP6_221_c_d:N-Os +mp-1009495,OsN,-8.40346936,1.3784618175,1.3784618175,1.3784618175,GGA,Fm-3m,AB_cF8_225_a_b:N-Os,2.0,AB_cF8_225_a_b:N-Os +mp-1247400,SrOs7N10,-8.8643656111,0.2270796507,0.4208169031,0.4208169031,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Os-Sr,36.0,A10B7C_mP36_7_10a_7a_a:N-Os-Sr +mp-568862,OsN2,-9.0147019158,0.2854171775,0.2854171775,0.2854171775,GGA,P2_1/c,A2B_mP12_14_2e_e:N-Os,12.0,"Invalid WP multiplicities - A2B_mP12_14_3e_e:N-Os, expected OsN3 to be OsN2" +mp-1008823,OsN2,-8.6548372333,0.64528186,0.64528186,0.64528186,GGA,Amm2,A2B_oC6_38_c_a:N-Os,3.0,A2B_oC6_38_c_a:N-Os +mp-21264,OsN2,-9.0123934767,0.2877256167,0.2877256167,0.2877256167,GGA,Pnnm,A2B_oP6_58_g_a:N-Os,6.0,A2B_oP6_58_g_a:N-Os +mp-1018852,OsN2,-8.3754964567,0.9246226367,0.9246226367,0.9246226367,GGA,P4/mbm,A2B_tP6_127_g_b:N-Os,6.0,A2B_tP6_127_g_b:N-Os +mp-1063003,OsN2,-8.59885921,0.7012598833,0.7012598833,0.7012598833,GGA,P-6m2,A2B_hP3_187_h_a:N-Os,3.0,A2B_hP3_187_h_a:N-Os +mp-973935,OsN2,-9.23881091,0.0613081833,0.0613081833,0.0613081833,GGA,P6/mmm,A2B_hP3_191_e_a:N-Os,3.0,A2B_hP3_191_e_a:N-Os +mp-1018851,OsN2,-8.6404764767,0.6596426167,0.6596426167,0.6596426167,GGA,P6_3/mmc,A2B_hP6_194_e_c:N-Os,6.0,A2B_hP6_194_e_c:N-Os +mp-1102074,OsN2,-8.6615245883,0.638594505,0.638594505,0.638594505,GGA,Pa-3,A2B_cP12_205_c_a:N-Os,12.0,A2B_cP12_205_c_a:N-Os +mp-1008826,OsN2,-8.49704928,0.8030698133,0.8030698133,0.8030698133,GGA,Fm-3m,A2B_cF12_225_c_a:N-Os,3.0,A2B_cF12_225_c_a:N-Os +mp-1245384,Sr7OsN6,-5.82311117,-0.6036260876,0.0939528096,0.0939528096,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Os-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Os-Sr +mp-1247351,Sr5(OsN3)2,-6.8649956727,-0.6402901591,0.0367578791,0.0367578791,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Os-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Os-Sr +mp-1029686,Sr3OsN3,-6.6078727921,-0.7071109971,0.0,-0.0750545488,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Os-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Os-Sr +mp-1193835,Co(WCl5)2,-5.1939717188,-1.2316682685,0.0184809996,0.0184809996,GGA,C2/c,A10BC2_mC52_15_5f_e_2e:Cl-Co-W,26.0,A10BC2_mC52_15_5f_e_2e:Cl-Co-W +mp-571518,WCl6,-4.8151460814,-1.3795246257,0.0,-0.2331372029,GGA,R-3,A6B_hR21_148_f_a:Cl-W,7.0,A6B_hR21_148_f_a:Cl-W +mp-23178,WCl6,-4.8150232943,-1.3794018386,0.0001227871,-0.2330144157,GGA,P-3m1,A6B_hP21_164_3i_ad:Cl-W,21.0,"Invalid WP multiplicities - A6B_hP21_164_4i_ad:Cl-W, expected WCl8 to be WCl6" +mp-1207828,WCl2,-6.6861180142,-1.1343834975,0.0,-0.0316228808,GGA,Cmce,A2B_oC72_64_df2g_d2f:Cl-W,36.0,A2B_oC72_64_df2g_d2f:Cl-W +mp-980949,WCl4,-5.389508995,-1.319053621,0.0,-0.0130713337,GGA,C2/m,A4B_mC20_12_2ij_g:Cl-W,10.0,"Invalid WP multiplicities - A4B_mC20_12_4ij_g:Cl-W, expected WCl6 to be WCl4" +mp-23269,WCl3,-5.8665407462,-1.2406056937,0.0091966309,0.0091966309,GGA,R-3,A3B_hR72_148_3f_f:Cl-W,24.0,A3B_hR72_148_3f_f:Cl-W +mp-27160,WCl5,-5.0375875817,-1.3374519933,0.0168763804,0.0168763804,GGA,C2/m,A5B_mC72_12_3i6j_gj:Cl-W,36.0,"Invalid WP multiplicities - A5B_mC72_12_3i7j_gj:Cl-W, expected W3Cl17 to be WCl5" +mp-1203320,Co(W3Cl7)2,-6.3869579786,-1.1137859588,0.0125541832,0.0125541832,GGA,Pn-3,A14BC6_cP84_201_e2h_b_h:Cl-Co-W,84.0,A14BC6_cP84_201_e2h_b_h:Cl-Co-W +mp-1093697,LaYCd2,-1.2998252175,2.0122392171,2.352390285,2.352390285,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-La-Y,4.0,A2BC_oI8_71_e_a_b:Cd-La-Y +mp-1101263,TmInO3,-7.372834516,-2.9593174586,0.0863472772,0.0863472772,GGA,Pnma,AB3C_oP20_62_a_cd_c:In-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:In-O-Tm, expected TmInO7 to be TmInO3" +mp-1185862,MgF3,-4.2207478875,-2.3870686494,0.4849915519,0.4849915519,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Mg,4.0,A3B_tI8_139_ad_b:F-Mg +mp-560236,MgF2,-5.5295207933,-3.7217747983,0.1076388033,-1.5999359989,GGA,C2/m,A2B_mC12_12_aci_i:F-Mg,6.0,"Invalid WP multiplicities - A2B_mC12_12_ac2i_i:F-Mg, expected MgF3 to be MgF2" +mp-1062842,MgF2,-5.3735106967,-3.5657647017,0.2636488999999999,-1.4439259022,GGA,Amm2,A2B_oC6_38_ab_a:F-Mg,3.0,A2B_oC6_38_ab_a:F-Mg +mp-1072956,MgF2,-5.6346868067,-3.8269408117,0.00247279,-1.7051020122,GGA,Pnnm,A2B_oP6_58_g_a:F-Mg,6.0,A2B_oP6_58_g_a:F-Mg +mp-1102433,MgF2,-5.4301663817,-3.6224203867,0.206993215,-1.5005815872,GGA,Pnma,A2B_oP12_62_2c_c:F-Mg,12.0,A2B_oP12_62_2c_c:F-Mg +mp-1180279,MgF2,-5.53691899,-3.729172995,0.1002406067,-1.6073341956,GGA,Imma,A2B_oI12_74_ae_e:F-Mg,6.0,"Invalid WP multiplicities - A2B_oI12_74_2a2e_e:F-Mg, expected MgF4 to be MgF2" +mp-1249,MgF2,-5.6371595967,-3.8294136017,0.0,-1.7075748022,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Mg,6.0,A2B_tP6_136_f_a:F-Mg +mp-1746,MgF2,-5.5710812508,-3.7633352558,0.0660783458,-1.6414964564,GGA,Pa-3,A2B_cP12_205_c_a:F-Mg,12.0,A2B_cP12_205_c_a:F-Mg +mp-7921,MgPdF6,-4.7140105388,-2.4328810806,0.0,-0.0600282387,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Pd,8.0,A6BC_hR24_148_f_a_b:F-Mg-Pd +mp-582389,Eu2B5Os3,-9.155792582,-0.3964861076,0.0,-0.0756170518,GGA,C2,A5B2C3_mC20_5_a2c_c_bc:B-Eu-Os,10.0,"Invalid WP multiplicities - A5B2C3_mC20_5_a4c_c_b2c:B-Eu-Os, expected Eu2B9Os5 to be Eu2B5Os3" +mp-1189309,Eu(BOs)4,-9.4089076567,-0.3106811452,0.0,-0.0114594822,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Eu-Os,18.0,A4BC4_tP18_86_g_a_g:B-Eu-Os +mp-1192291,GdB4Ru,-8.953887440799999,-0.6092054636,0.0,-0.07097164,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Gd-Ru +mp-22335,GdB2Ru3,-9.6694969683,-0.4598114014,0.0,-0.0119203908,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Gd-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Gd-Ru +mp-1095164,Gd(BRu)2,-9.734211385,-0.5374692127,0.0,-0.0585335187,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Gd-Ru,10.0,A2BC2_oF40_70_e_a_f:B-Gd-Ru +mp-568319,DyB6,-6.7834081929,-0.4001028407,0.0355232412,0.0355232412,GGA,Pm-3m,A6B_cP7_221_e_b:B-Dy,7.0,A6B_cP7_221_e_b:B-Dy +mp-2719,DyB4,-6.861302839,-0.5964320543,0.0,-0.147959332,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Dy,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Dy, expected DyB6 to be DyB4" +mp-2057,DyB2,-6.54985924,-0.5613357794,0.0,-0.0643090675,GGA,P6/mmm,A2B_hP3_191_c_b:B-Dy,3.0,A2B_hP3_191_c_b:B-Dy +mp-864993,DyB4Mo,-7.6565417617,-0.6282077561,0.0,-0.03472036,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Mo,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Mo +mp-1212893,DyB7Mo3,-8.18771698,-0.5604915649000001,0.0,-0.0087752886,GGA,Pnma,A7BC3_oP44_62_7c_c_3c:B-Dy-Mo,44.0,A7BC3_oP44_62_7c_c_3c:B-Dy-Mo +mp-1213062,Dy3B7Mo,-7.0809354977,-0.588048859,0.0,-0.0019924186,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Dy-Mo,22.0,A7B3C_oC44_63_c3f_cf_c:B-Dy-Mo +mp-1206856,DyB3Mo,-7.713843686,-0.6157212335000001,0.0,-0.046190386,GGA,P2_1/m,A3BC_mP10_11_3e_e_e:B-Dy-Mo,10.0,A3BC_mP10_11_3e_e_e:B-Dy-Mo +mp-1103476,DyB12,-6.7700413515,-0.2500807292,0.0,-0.0206837853,GGA,Fm-3m,A12B_cF52_225_h_b:B-Dy,13.0,A12B_cF52_225_h_b:B-Dy +mp-28869,Ga3B4Pt9,-6.0445371128,-0.3919086734,0.0,-0.0426904902,GGA,P-62c,A4B3C9_hP32_190_cg_h_hi:B-Ga-Pt,32.0,"Invalid WP multiplicities - A4B3C9_hP32_190_cg_h_5h6i:B-Ga-Pt, expected Ga3B4Pt51 to be Ga3B4Pt9" +mp-1207557,YbMnB4,-6.7229227463,-0.4863909703,0.0,-0.0262874935,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Yb,,A4BC_oP24_55_4h_g_g:B-Mn-Yb +mp-505546,GdMnB4,-8.9511172879,-0.6251665187000001,0.0,-0.0650437607,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_55_12h_g_g:B-Gd-Mn, expected GdMnB12 to be GdMnB4" +mp-976437,Gd3MnB7,-9.471735765,-0.5493608188,0.0148230928,0.0148230928,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Gd-Mn,22.0,A7B3C_oC44_63_c3f_cf_c:B-Gd-Mn +mp-1068661,ZrBRh3,-8.201950024,-0.7379468218,0.0,-0.0977641936,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Zr,5.0,AB3C_cP5_221_b_c_a:B-Rh-Zr +mp-1207063,ZrBRh3,-5.637388544,1.8266146582,2.56456148,2.4667972864,GGA,Pm-3m,AB3C_cP5_221_a_c_b:B-Rh-Zr,5.0,AB3C_cP5_221_a_c_b:B-Rh-Zr +mp-1187850,YHoMg2,-3.6514361325,-0.0890761117,0.00312947,0.00312947,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Mg-Y,4.0,AB2C_cF16_225_a_c_b:Ho-Mg-Y +mp-1197231,ReBi9O17,-6.6228273167000005,-1.7671740779,0.0071189005,0.0071189005,GGA,P2_1/c,A9B17C_mP108_14_9e_17e_e:Bi-O-Re,108.0,A9B17C_mP108_14_9e_17e_e:Bi-O-Re +mp-28287,ReBi3O8,-7.209232061,-1.9142733723,0.0,-0.0819790532,GGA,P2_13,A3B8C_cP96_198_2b_4a4b_2a:Bi-O-Re,96.0,"Invalid WP multiplicities - A3B8C_cP96_198_3b_5a6b_2a:Bi-O-Re, expected Re2Bi9O23 to be ReBi3O8" +mp-1197783,ReBi3O8,-7.2062102685,-1.9112515798,0.0030217925,-0.0789572607,GGA,I2_13,A3B8C_cI96_199_c_2a2bc_a:Bi-O-Re,48.0,A3B8C_cI96_199_c_2a2bc_a:Bi-O-Re +mp-1173445,Re4BiO12,-8.0404710376,-1.3946556021,0.6230154979,0.6230154979,GGA,P1,AB12C4_aP17_1_a_12a_4a:Bi-O-Re,17.0,AB12C4_aP17_1_a_12a_4a:Bi-O-Re +mp-1188946,Re2BiO6,-8.402151625,-1.9121876508,0.0,-0.0023181015,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Bi-O-Re,18.0,AB6C2_mC36_15_e_3f_f:Bi-O-Re +mp-974581,ReBiO3,-7.447180904,-1.2221644142,0.5016234853,0.5016234853,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-Re,5.0,AB3C_cP5_221_a_c_b:Bi-O-Re +mp-27360,ReBiO4,-7.9272817483,-1.9153198883,0.0,-0.0022979489,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Bi-O-Re,12.0,AB4C_oC24_63_c_acf_c:Bi-O-Re +mp-1043650,ReBiO5,-7.7623795921,-1.9025996105,0.0602659061,0.0602659061,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-Re,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-Re, expected ReBiO15 to be ReBiO5" +mp-1042374,ReBiO5,-7.7666960609,-1.9069160793,0.0559494374,0.0559494374,GGA,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-Re,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-Re, expected ReBiO31 to be ReBiO5" +mp-17173,Rh2S3,-6.1898001855,-0.7622071174,0.0,-0.0203935455,GGA,Pbcn,A2B3_oP20_60_d_cd:Rh-S,20.0,A2B3_oP20_60_d_cd:Rh-S +mp-974381,Rh2S3,-6.188203609,-0.7606105409,0.0015965765,-0.018796969,GGA,R-3c,A2B3_hR30_167_c_e:Rh-S,10.0,A2B3_hR30_167_c_e:Rh-S +mp-22555,RhS2,-5.91182839,-0.6994258554,0.0,-0.0642532576,GGA,Pa-3,AB2_cP12_205_a_c:Rh-S,12.0,AB2_cP12_205_a_c:Rh-S +mp-1103098,BiRhS,-5.69185743,-0.5781084744,0.0,-0.0363496737,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Rh-S,12.0,ABC_cP12_198_a_a_a:Bi-Rh-S +mp-1186903,RhS,-6.214030515,-0.4636516466,0.2226280957,0.2226280957,GGA,P6_3mc,AB_hP4_186_b_b:Rh-S,4.0,AB_hP4_186_b_b:Rh-S +mp-21991,Rh17S15,-6.5052854259,-0.6540359949,0.0,-0.0306151177,GGA,Pm-3m,A17B15_cP64_221_acfm_eij:Rh-S,64.0,A17B15_cP64_221_acfm_eij:Rh-S +mp-977592,Bi2Rh3S2,-5.9687008179,-0.5334434459,0.0,-0.032464677,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Rh-S,14.0,"Invalid WP multiplicities - A2B3C2_mC28_12_3i_2ehi_j:Bi-Rh-S, expected Bi3(Rh2S)2 to be Bi2Rh3S2" +mp-29841,Rh3S4,-6.2797973186,-0.7599797361,0.0,-0.0213200739,GGA,C2/m,A3B4_mC42_12_ahij_2i2j:Rh-S,21.0,"Invalid WP multiplicities - A3B4_mC42_12_ahij_2i3j:Rh-S, expected Rh9S16 to be Rh3S4" +mp-1245955,CrMo2N3,-9.60380416,-0.2114987492,0.3837547092,0.3837547092,GGA,Immm,AB2C3_oI12_71_a_e_ce:Cr-Mo-N,6.0,AB2C3_oI12_71_a_e_ce:Cr-Mo-N +mp-1197488,Er2ZrS5,-6.9578389019,-2.1621654538,0.0102400617,0.0102400617,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Er-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Er-S-Zr +mp-7586,Ni3C,-6.5833553275,0.0589135556,0.0589135556,0.0589135556,GGA,R-3c,AB3_hR24_167_b_e:C-Ni,8.0,AB3_hR24_167_b_e:C-Ni +mp-1009582,NiC,-6.413936945,1.0904641413,1.0904641413,1.0904641413,GGA,Fm-3m,AB_cF8_225_a_b:C-Ni,2.0,AB_cF8_225_a_b:C-Ni +mp-1210339,NiC4,-6.8170967065,1.7218630235,1.7218630235,1.7218630235,GGA,P4_2/mmc,A4B_tP20_131_jko_de:C-Ni,20.0,A4B_tP20_131_jko_de:C-Ni +mp-975570,PuNiC2,-9.724819595,-0.0984930962,0.0002025003,0.0002025003,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Pu,4.0,A2BC_oC8_38_d_a_b:C-Ni-Pu +mp-7159,La3TlC,-5.571156512,-0.2912905212,0.0,-0.0465675683,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-La-Tl,5.0,AB3C_cP5_221_b_c_a:C-La-Tl +mp-675360,Yb22Fe7S40,-5.1195879828,-1.3714789204,0.4938140183,0.4938140183,GGA,Cm,A7B40C22_mC138_8_7a_20a10b_12a5b:Fe-S-Yb,,"Invalid WP multiplicities - A7B40C22_mC138_8_7a_20a18b_12a9b:Fe-S-Yb, expected Yb30(FeS8)7 to be Yb22Fe7S40" +mp-676269,Yb2FeS4,-5.4025172276,-1.3889404794,0.4022598645,0.4022598645,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Fe-S-Yb,,AB4C2_aP42_1_6a_24a_12a:Fe-S-Yb +mp-676750,Yb2FeS4,-5.2911716936,-1.2775949454,0.5136053986,0.5136053986,GGA,P1,AB4C2_aP56_1_8a_32a_16a:Fe-S-Yb,,AB4C2_aP56_1_8a_32a_16a:Fe-S-Yb +mp-676013,Yb2FeS4,-5.2810259212,-1.2674491730000002,0.5237511709,0.5237511709,GGA,C2/m,AB4C2_mC112_12_e3i_8i4j_adf4ij:Fe-S-Yb,,"Invalid WP multiplicities - AB4C2_mC112_12_e6i_16i14j_ad2f8i3j:Fe-S-Yb, expected Yb17Fe7S44 to be Yb2FeS4" +mp-5643,Yb2FeS4,-5.4276690907,-1.4140923425,0.3771080014,0.3771080014,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Fe-S-Yb,,AB4C2_cF56_227_a_e_d:Fe-S-Yb +mp-686587,Yb9(Fe3S10)2,-5.4410742393,-1.2294856931,0.4622515653,0.4622515653,GGA,P1,A6B20C9_aP70_1_12a_40a_18a:Fe-S-Yb,,A6B20C9_aP70_1_12a_40a_18a:Fe-S-Yb +mp-1216030,Yb4FeS7,-5.2892305742,-1.6572636243,0.2404448246,0.2404448246,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Fe-S-Yb,,AB7C4_mC24_8_a_7a_4a:Fe-S-Yb +mp-1215982,Yb3Fe3S8,-5.6737296964,-1.1651234532,0.3774191768,0.3774191768,GGA,R-3m,A3B8C3_hR42_166_ac_ch_d:Fe-S-Yb,,"Invalid WP multiplicities - A3B8C3_hR42_166_ac_2c2h_d:Fe-S-Yb, expected Yb3Fe3S16 to be Yb3Fe3S8" +mp-1216334,Yb6Fe2S11,-5.3107339913,-1.5381739579,0.3202946629,0.3202946629,GGA,Cmcm,A2B11C6_oC76_63_f_c5f_ac2f:Fe-S-Yb,,A2B11C6_oC76_63_f_c5f_ac2f:Fe-S-Yb +mp-1097407,V2TcMo,-5.82027083,4.0232544688,4.2603430775,4.2603430775,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Tc-V,4.0,ABC2_oI8_71_a_b_e:Mo-Tc-V +mp-1095858,VTc2Mo,-6.2110574825,3.951651035,4.1378532612,4.1378532612,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Tc-V,4.0,AB2C_oI8_71_a_e_b:Mo-Tc-V +mp-1213799,CeHf2F11,-7.5759500979,-4.227826108,0.0,-0.0111052526,GGA,Ibam,AB11C2_oI56_72_a_dj2k_j:Ce-F-Hf,28.0,AB11C2_oI56_72_a_dj2k_j:Ce-F-Hf +mp-1213837,CeHfF7,-7.5187745433,-4.2664822147,0.0,-0.0207815415,GGA,P2_1,AB7C_mP18_4_a_7a_a:Ce-F-Hf,18.0,AB7C_mP18_4_a_7a_a:Ce-F-Hf +mp-1220369,NbVRe,-10.68538167,-0.1421355717,0.0384868422,0.0384868422,GGA,Fmm2,ABC_oF12_42_a_a_a:Nb-Re-V,3.0,ABC_oF12_42_a_a_a:Nb-Re-V +mp-1096351,NbVRe2,-6.56164574,4.45692063,4.6591469625,4.6591469625,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Re-V,4.0,AB2C_oI8_71_a_e_b:Nb-Re-V +mp-1097351,NbV2Re,-5.989809475,4.1886016162,4.3894906033,4.3894906033,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Re-V,4.0,ABC2_oI8_71_a_b_e:Nb-Re-V +mp-1096222,Nb2VRe,-6.044817525,4.3879433087,4.5234101192,4.5234101192,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-V,4.0,A2BC_oI8_71_e_a_b:Nb-Re-V +mp-1218713,Sr2PrF6,-6.1927908778,-4.0118168259,0.1171283387,0.1171283387,GGA,Immm,A6BC2_oI18_71_fn_a_g:F-Pr-Sr,9.0,"Invalid WP multiplicities - A6BC2_oI18_71_2f2n_a_g:F-Pr-Sr, expected Sr2PrF12 to be Sr2PrF6" +mp-2651,PrF3,-7.0407690813,-4.4119334169,0.0,-4.4119334169,GGA,P-3c1,A3B_hP24_165_adg_f:F-Pr,24.0,A3B_hP24_165_adg_f:F-Pr +mp-1190767,PrF3,-6.8752518788,-4.2464162144,0.1655172025,-4.2464162144,GGA,P6_322,A3B_hP24_182_bfi_g:F-Pr,24.0,A3B_hP24_182_bfi_g:F-Pr +mp-17906,PrF3,-6.8769038633,-4.248068199,0.1638652179,-4.248068199,GGA,P6_3/mcm,A3B_hP24_193_bck_g:F-Pr,24.0,A3B_hP24_193_bck_g:F-Pr +mp-1187234,SrPr3,-3.8745010837,0.1335515958,0.1335515958,0.1335515958,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pr-Sr,8.0,A3B_hP8_194_h_c:Pr-Sr +mp-1187207,SrPr3,-3.8791978225,0.1288548571,0.1288548571,0.1288548571,GGA,Pm-3m,A3B_cP4_221_c_a:Pr-Sr,4.0,A3B_cP4_221_c_a:Pr-Sr +mp-1186991,ScI3,-4.1995725862,-1.5114305475,0.0,-0.408842844,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Sc,8.0,A3B_hP8_194_h_c:I-Sc +mp-862329,ScI2,-4.3885439767,-1.2954767083,0.1158355522,0.1158355522,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Sc,6.0,A2B_tP6_136_f_a:I-Sc +mp-28835,LiScI3,-3.910419103,-1.3781208987,0.0477254563,0.0477254563,GGA,P-6c2,A3BC_hP10_188_k_a_c:I-Li-Sc,10.0,A3BC_hP10_188_k_a_c:I-Li-Sc +mp-685088,Sc12I25,-4.4796756157,-1.4303840478,0.0,-0.0687349059,GGA,P-1,A25B12_aP74_2_25i_12i:I-Sc,74.0,"Invalid WP multiplicities - A25B12_aP74_2_50i_23i:I-Sc, expected Sc23I50 to be Sc12I25" +mp-971737,V2OsRu,-9.9089361625,-0.241540635,0.0,-0.0027479665,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-V,4.0,ABC2_cF16_225_a_b_c:Os-Ru-V +mp-1097128,Y2CdPb,-2.56798103,1.8241387342,2.3140380658,2.3140380658,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Pb-Y +mp-1214714,Ba2TlF7,-5.337800896,-3.3797063161,0.0,-0.0412194417,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-F-Tl,40.0,A2B7C_mP40_14_2e_7e_e:Ba-F-Tl +mp-1224598,Ge4(Mo3W)3,-9.7541892263,-0.0681046575,0.0554703286,0.0554703286,GGA,Pm,A4B9C3_mP16_6_2a2b_2a3b2c_2ab:Ge-Mo-W,16.0,"Invalid WP multiplicities - A4B9C3_mP16_6_2a2b_2a3b4c_2ab:Ge-Mo-W, expected Ge4Mo13W3 to be Ge4(Mo3W)3" +mp-1247116,In4Te3N2,-4.3114224358,-0.1881288303,0.163119219,0.163119219,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:In-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:In-N-Te +mp-24339,Sm5Sb3H,-5.3746002094,-0.9998601606,0.0285384993,0.0285384993,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:H-Sb-Sm,18.0,AB3C5_hP18_193_b_g_dg:H-Sb-Sm +mp-1094064,SbH3,-2.8966098025,0.6801850413,0.6801850413,0.6801850413,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Sb,4.0,A3B_tI8_139_ad_b:H-Sb +mp-24658,SmH2,-4.60228786,-0.7676084517,0.0,-0.1465273713,GGA,Fm-3m,A2B_cF12_225_c_a:H-Sm,3.0,A2B_cF12_225_c_a:H-Sm +mp-1192065,SmH3,-4.4229072829,-0.6987162154000001,0.0,-0.1230098767,GGA,P-3c1,A3B_hP24_165_adg_f:H-Sm,24.0,A3B_hP24_165_adg_f:H-Sm +mp-867857,SmH3,-4.3744394825,-0.6502484150000001,0.0484678004,-0.0745420762,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Sm,4.0,A3B_cF16_225_ac_b:H-Sm +mp-1216988,Tm(VFe5)2,-8.3370183531,-0.079798379,0.0343060087,0.0343060087,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Tm-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Tm-V +mp-567391,Dy3Se3N,-6.7568992618,-2.0933864221,0.0,-0.0259166275,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Dy-N-Se,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_9c_c_8c:Dy-N-Se, expected Dy9Se8N to be Dy3Se3N" +mp-1207703,Y5SbPt2,-7.0686783113,-0.9932253804,0.0230320277,0.0230320277,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Pt-Sb-Y,16.0,A2BC5_tI32_140_h_a_cl:Pt-Sb-Y +mp-4964,YSbPt,-6.83309676,-1.2775615356,0.0,-0.2417524512,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Sb-Y,3.0,ABC_cF12_216_c_a_b:Pt-Sb-Y +mp-1207813,Y4CdPt,-6.0863640529,-0.6097127974000001,0.0,-0.0211440342,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pt-Y,24.0,ABC4_cF96_216_e_e_efg:Cd-Pt-Y +mp-865524,YCdPt2,-5.69269402,-0.8097871417,0.0034222483,0.0034222483,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pt-Y,4.0,AB2C_cF16_225_a_c_b:Cd-Pt-Y +mp-1246632,TaAgN2,-8.3992764114,-0.5584455406000001,0.2892827436,0.2892827436,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ag-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:Ag-N-Ta +mp-1179841,PPb,-4.421677675,0.1412971133,0.14350953,0.14350953,GGA,P2_1/c,AB_mP16_14_2e_2e:P-Pb,16.0,AB_mC16_15_f_f:P-Pb +mp-1188357,La5PPb3,-5.4439607572,-0.8627075081000001,0.0,-0.0269456511,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:La-P-Pb,18.0,A5BC3_hP18_193_dg_b_g:La-P-Pb +mp-1186371,PPb3,-3.8719920675,0.2658188617,0.26692507,0.26692507,GGA,I4/mmm,AB3_tI8_139_a_bd:P-Pb,4.0,AB3_tI8_139_a_bd:P-Pb +mp-984100,PPb3,-3.8795030625,0.2583078667,0.259414075,0.259414075,GGA,P6_3/mmc,AB3_hP8_194_c_h:P-Pb,8.0,AB3_hP8_194_c_h:P-Pb +mp-1201560,P7Pb,-5.2045923063,-0.0038717292,0.0,-0.0038717292,GGA,P2_1/c,A7B_mP32_14_7e_e:P-Pb,32.0,A7B_mP32_14_7e_e:P-Pb +mp-9078,BaPIr,-6.3064914625,-0.9162542536,0.0,-0.1543744004,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-Ir-P,12.0,ABC_cP12_198_a_a_a:Ba-Ir-P +mp-11169,Ba(PIr)2,-6.930993322,-0.8465036593,0.0,-0.06961139,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Ir-P,5.0,AB2C2_tI10_139_a_d_e:Ba-Ir-P +mp-32606,Ba3P2,-4.298713955,-0.9820079883,0.0,-0.0441392745,GGA,I-42d,A3B2_tI80_122_3e_cde:Ba-P,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c4d4e:Ba-P, expected Ba2P to be Ba3P2" +mp-1013551,Ba3P2,-3.856620748,-0.5399147813,0.442093207,0.3979539325,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ba-P,5.0,A3B2_cP5_221_c_ab:Ba-P +mp-7808,BaP3,-5.2059436687,-0.6662230537,0.0,-0.0193165939,GGA,C2/m,AB3_mC16_12_i_ij:Ba-P,8.0,AB3_mC16_12_i_ij:Ba-P +mp-1105406,BaP3,-5.1988225394,-0.6591019244,0.0071211294,-0.0121954645,GGA,P2_1/c,AB3_mP16_14_e_3e:Ba-P,16.0,AB3_mP16_14_e_3e:Ba-P +mp-567378,Ba5P9,-5.0048928725,-0.8395644968,0.0013198888,0.0013198888,GGA,Fdd2,A5B9_oF112_43_a2b_a4b:Ba-P,28.0,"Invalid WP multiplicities - A5B9_oF112_43_2a5b_2a12b:Ba-P, expected Ba6P13 to be Ba5P9" +mp-17566,Ba5P4,-4.4816791753,-1.0096697612,0.0015696997,-0.0108960578,GGA,Pnma,A5B4_oP36_62_c2d_2cd:Ba-P,36.0,A5B4_oP36_62_c2d_2cd:Ba-P +mp-1105231,Ba5P4,-4.483248875,-1.0112394609,0.0,-0.0124657575,GGA,Cmce,A5B4_oC36_64_ag_df:Ba-P,18.0,A5B4_oC36_64_ag_df:Ba-P +mp-28035,BaP10,-5.3547018386,-0.2590654744,0.0025636834,0.0025636834,GGA,Cmc2_1,AB10_oC44_36_a_6a2b:Ba-P,22.0,"Invalid WP multiplicities - AB10_oC44_36_a_6a3b:Ba-P, expected BaP12 to be BaP10" +mp-1195,Ba3P14,-5.3045248306,-0.5078683651,0.0,-0.0293689679,GGA,P2_1/c,A3B14_mP34_14_ae_7e:Ba-P,34.0,"Invalid WP multiplicities - A3B14_mP34_14_ae_8e:Ba-P, expected Ba3P16 to be Ba3P14" +mp-28823,Ba4P3,-4.4214032334,-1.0048593363,0.0,-0.004059687,GGA,Pbam,A4B3_oP56_55_e2gh2i_fg2hi:Ba-P,56.0,A4B3_oP56_55_e2gh2i_fg2hi:Ba-P +mp-1105095,BaP2,-5.0530096183,-0.8044829672,0.0,-0.0034387911,GGA,P2_1/c,AB2_mP18_14_ae_3e:Ba-P,18.0,AB2_mP18_14_ae_3e:Ba-P +mp-30275,BaP8,-5.3366778128,-0.3116339246,0.008135046,0.008135046,GGA,P-1,AB8_aP18_2_i_8i:Ba-P,18.0,AB8_aP18_2_i_8i:Ba-P +mp-14289,Ba3P4,-4.86582219,-0.9500886405,0.0,-0.0487211566,GGA,Fdd2,A3B4_oF56_43_ab_2b:Ba-P,14.0,A3B4_oF56_43_ab_2b:Ba-P +mp-8256,ZnPtF6,-4.38476233,-2.0347934881,0.0,-0.0772624931,GGA,R-3,A6BC_hR24_148_f_a_b:F-Pt-Zn,8.0,A6BC_hR24_148_f_a_b:F-Pt-Zn +mp-22609,Eu(CdP)2,-5.188293108,-0.6024158413,0.0,-0.0890862067,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cd-Eu-P,5.0,A2BC2_hP5_164_d_a_d:Cd-Eu-P +mp-1013547,Ca3P2,-4.095028312,-0.7263473813,0.146034826,0.146034826,GGA,Pm-3m,A3B2_cP5_221_c_ab:Ca-P,5.0,A3B2_cP5_221_c_ab:Ca-P +mp-9122,CaP3,-5.18575382,-0.62437697,0.0,-0.0369477767,GGA,P-1,AB3_aP8_2_i_3i:Ca-P,8.0,AB3_aP8_2_i_3i:Ca-P +mp-28879,Ca5P8,-5.0063848708,-0.9037372205,0.0,-0.0283829025,GGA,C2/m,A5B8_mC26_12_agh_2ij:Ca-P,13.0,A5B8_mC26_12_agh_2ij:Ca-P +mp-11168,Ca(PIr)2,-6.998330626,-0.8965159753,0.0,-0.0146991408,GGA,P3_221,AB2C2_hP15_154_a_ab_c:Ca-Ir-P,15.0,"Invalid WP multiplicities - AB2C2_hP15_154_a_2ab_c:Ca-Ir-P, expected CaP2Ir3 to be Ca(PIr)2" +mp-1227422,Ca2P7Ir12,-7.6534333586,-0.6074558602,0.0164960272,0.0164960272,GGA,P-3,A2B12C7_hP21_147_d_2g_ag:Ca-Ir-P,21.0,A2B12C7_hP21_147_d_2g_ag:Ca-Ir-P +mp-18360,Ca5P12Ir19,-7.4682352111,-0.7205163528,0.0,-0.0205978206,GGA,P-62m,A5B19C12_hP36_189_cg_afgjk_2fk:Ca-Ir-P,36.0,"Invalid WP multiplicities - A5B19C12_hP36_189_cg_afg2j2k_3f2k:Ca-Ir-P, expected Ca5P21Ir31 to be Ca5P12Ir19" +mp-1345,CaP,-4.7999289525,-1.0904777592,0.0,-0.2817708096,GGA,P-62m,AB_hP12_189_fg_eh:Ca-P,12.0,AB_hP12_189_fg_eh:Ca-P +mp-31233,Ca4P7Ir8,-7.0293247968,-0.8912726649,0.0,-0.0281847079,GGA,P2_1/m,A4B8C7_mP38_11_4e_8e_7e:Ca-Ir-P,38.0,"Invalid WP multiplicities - A4B8C7_mP38_11_5e_8e_8e:Ca-Ir-P, expected Ca5(PIr)8 to be Ca4P7Ir8" +mp-21683,In2(Ni7P2)3,-5.9048768148,-0.4094956845,0.0,-0.0207125455,GGA,Fm-3m,A2B21C6_cF116_225_c_afh_e:In-Ni-P,29.0,"Invalid WP multiplicities - A2B21C6_cF116_225_c_a6f5h_e:In-Ni-P, expected In2Ni109P6 to be In2(Ni7P2)3" +mp-20050,InP3,-4.7980327725,-0.05013496,0.0527637258,0.0527637258,GGA,R-3m,AB3_hR24_166_c_h:In-P,8.0,AB3_hR24_166_c_h:In-P +mp-966800,InP,-4.283997765,-0.2015046467,0.004292725,-0.16808134,GGA,P6_3mc,AB_hP4_186_b_b:In-P,4.0,AB_hP4_186_b_b:In-P +mp-20351,InP,-4.28829049,-0.2057973717,0.0,-0.172374065,GGA,F-43m,AB_cF8_216_a_c:In-P,2.0,AB_cF8_216_a_c:In-P +mp-20457,InP,-4.05296287,0.0295302483,0.23532762,0.062953555,GGA,Fm-3m,AB_cF8_225_a_b:In-P,2.0,AB_cF8_225_a_b:In-P +mp-1246198,Al2Cd3N4,-5.1715865694,-0.3264976094,0.3776788372,0.3776788372,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Al-Cd-N,18.0,A2B3C4_mC36_15_f_ef_2f:Al-Cd-N +mp-1216656,U2(AlSn)3,-5.85518155,-0.1241486656,0.019057838,0.019057838,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Al-Sn-U,8.0,A3B3C2_oP8_47_aj_bgh_k:Al-Sn-U +mp-1191003,Er3MnB7,-6.9782619314000005,-0.6490879206,0.0,-0.0245855932,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Er-Mn,22.0,A7B3C_oC44_63_c3f_cf_c:B-Er-Mn +mp-1190787,ErMnB4,-7.4195538383,-0.6783369741,0.0,-0.0968992912,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Mn,24.0,A4BC_oP24_55_4h_g_g:B-Er-Mn +mp-1226710,CeY4Zn5,-4.13434818,-0.3245790142,0.0132202273,0.0132202273,GGA,P4/mmm,AB4C5_tP10_123_a_2g_d2h:Ce-Y-Zn,10.0,"Invalid WP multiplicities - AB4C5_tP10_123_a_3g_d4h:Ce-Y-Zn, expected Ce(Y2Zn3)3 to be CeY4Zn5" +mp-984049,CeYZn2,-4.003606275,-0.2738444029,0.0204854431,0.0204854431,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Ce-Y-Zn +mp-1183150,AcSiO3,-7.746321594,-2.8690097598,0.4708205135,0.4708205135,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ac-O-Si,5.0,AB3C_cP5_221_a_c_b:Ac-O-Si +mp-865560,Y2AlZn,-4.891088825,-0.4065234083,0.0,-0.0116243448,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Y-Zn +mp-1071862,YAlZn,-4.2979644783,-0.4740342939,0.0,-0.0217207167,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Y-Zn,6.0,ABC_hP6_194_c_a_d:Al-Y-Zn +mp-1224294,HfSiW4,-10.897771405,0.3047332583,0.6181302433,0.6181302433,GGA,F-43m,ABC4_cF24_216_a_c_e:Hf-Si-W,6.0,ABC4_cF24_216_a_c_e:Hf-Si-W +mp-1224424,HfSiW,-9.7944824117,-0.347603315,0.279190655,0.174083385,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Hf-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Hf-Si-W, expected Hf3(SiW)2 to be HfSiW" +mp-1102732,HfSiW,-10.0736730667,-0.62679397,0.0,-0.10510727,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Si-W,12.0,ABC_oP12_62_c_c_c:Hf-Si-W +mp-20550,Ce3PbC,-4.386246108,1.7618698975,2.0471641227,2.0471641227,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ce-Pb,5.0,AB3C_cP5_221_a_c_b:C-Ce-Pb +mp-567462,Sc3RhC4,-8.4007205844,-0.49117344,0.0044704423,0.0044704423,GGA,C2/m,A4BC3_mC32_12_2j_i_ghi:C-Rh-Sc,16.0,"Invalid WP multiplicities - A4BC3_mC32_12_5j_i_2g2h2i:C-Rh-Sc, expected Sc6RhC10 to be Sc3RhC4" +mp-1078784,Sc3RhC4,-8.3980256125,-0.4884784681,0.0071654142,0.0071654142,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Rh-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Rh-Sc +mp-10712,ScRh3C,-8.02562332,-0.4948116785,0.0,-0.0093385715,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Sc,5.0,AB3C_cP5_221_b_c_a:C-Rh-Sc +mp-1105792,Tb5Ge3C,-5.8516002117,-0.7105358164000001,0.01081987,0.01081987,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Tb,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Tb +mp-1096048,LiOs2W,-5.446650635,3.8837963542,3.9227727842,3.9227727842,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Os-W,4.0,AB2C_oI8_71_a_e_b:Li-Os-W +mp-17569,SmPtF7,-5.6021560369,-2.9165924561,0.0,-0.0681114614,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Pt-Sm,36.0,A7BC_mP36_14_7e_e_e:F-Pt-Sm +mp-1097533,VSnRu2,-5.04163881,2.8689319412,3.081877385,3.0611006136,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sn-V,4.0,A2BC_oI8_71_e_a_b:Ru-Sn-V +mp-1187738,VSnRu2,-8.123516195,-0.2129454438,0.0,-0.0207767714,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Sn-V,4.0,A2BC_cF16_225_c_a_b:Ru-Sn-V +mp-676330,Nb12Br17F13,-6.2042874886,-2.0979453774,0.0,-0.0298842878,GGA,P1,A17B13C12_aP42_1_17a_13a_12a:Br-F-Nb,42.0,A17B13C12_aP42_1_17a_13a_12a:Br-F-Nb +mp-1097261,YHfRh2,-5.675406885,2.1126620858,2.9678594625,2.9678594625,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Rh-Y,4.0,AB2C_oI8_71_a_e_b:Hf-Rh-Y +mp-6949,InF3,-4.956137005,-2.8346068469,0.0,-2.8346068469,GGA,R-3c,A3B_hR24_167_e_b:F-In,8.0,A3B_hR24_167_e_b:F-In +mp-1212060,InPb2F7,-5.1047356495,-2.7490025853,0.0,-0.0057150415,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-In-Pb,40.0,A7BC2_mP40_14_7e_e_2e:F-In-Pb +mp-865421,UGaTc2,-8.90620475,-0.1460087694,0.0,-0.066195865,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Tc-U,4.0,AB2C_cF16_225_a_c_b:Ga-Tc-U +mp-1196867,LaN3,-8.1263505225,-0.6399775525,0.1106574238,0.1106574238,GGA,P2_1/c,AB3_mP32_14_2e_6e:La-N,32.0,AB3_mP32_14_2e_6e:La-N +mp-989641,LaOsN3,-8.823106173,-0.5885343110000001,0.024898527,0.01197367,GGA,P2_1/m,AB3C_mP10_11_e_3e_e:La-N-Os,10.0,"Invalid WP multiplicities - AB3C_mP10_11_e_4e_e:La-N-Os, expected LaOsN4 to be LaOsN3" +mp-989632,LaOsN3,-8.82753778,-0.5929659180000001,0.02046692,0.007542063,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:La-N-Os,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:La-N-Os, expected LaOsN9 to be LaOsN3" +mp-989621,LaOsN3,-8.8480047,-0.613432838,0.0,-0.012924857,GGA,Pmma,AB3C_oP10_51_f_ai_e:La-N-Os,10.0,"Invalid WP multiplicities - AB3C_oP10_51_f_2a3i_e:La-N-Os, expected LaOsN8 to be LaOsN3" +mp-989607,LaOsN3,-8.8106647385,-0.5760928765000001,0.0373399615,0.0244151045,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-N-Os,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c3d_a:La-N-Os, expected LaOsN8 to be LaOsN3" +mp-989588,LaOsN3,-8.811200116,-0.5766282540000001,0.036804584,0.023879727,GGA,R-3c,AB3C_hR30_167_a_e_b:La-N-Os,10.0,AB3C_hR30_167_a_e_b:La-N-Os +mp-989564,LaOsN3,-8.794814944,-0.5602430820000001,0.053189756,0.040264899,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-N-Os,5.0,AB3C_cP5_221_a_c_b:La-N-Os +mp-1018049,LaN,-8.0208318675,-1.3845808525,0.1166890999999999,-0.9579291508,GGA,P4/nmm,AB_tP4_129_c_a:La-N,4.0,AB_tP4_129_c_a:La-N +mp-567290,LaN,-8.1375209675,-1.5012699525,0.0,-1.0746182508,GGA,P6_3mc,AB_hP4_186_b_b:La-N,4.0,AB_hP4_186_b_b:La-N +mp-13132,LaN,-7.542290295,-0.90603928,0.5952306725000001,-0.4793875783,GGA,Pm-3m,AB_cP2_221_a_b:La-N,2.0,AB_cP2_221_a_b:La-N +mp-256,LaN,-8.124209235,-1.48795822,0.0133117325,-1.0613065183,GGA,Fm-3m,AB_cF8_225_a_b:La-N,2.0,AB_cF8_225_a_b:La-N +mp-1208196,Y4Rh6Pb19,-4.8450153217,0.0029855749,0.2718740286,0.2718740286,GGA,I23,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Y,29.0,A19B6C4_cI58_197_adf_e_c:Pb-Rh-Y +mp-1095755,YRh2Pb,-4.402701035,1.8242324458,2.3729513638,2.3729513638,GGA,Immm,AB2C_oI8_71_a_e_b:Pb-Rh-Y,4.0,AB2C_oI8_71_a_e_b:Pb-Rh-Y +mp-1187876,YRh2Pb,-6.7674397925,-0.5405063117000001,0.0082126062,0.0082126062,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Pb-Rh-Y +mp-1096146,Y2RhPb,-4.2691561375,1.7333181542,2.4117792452,2.4117792452,GGA,Immm,ABC2_oI8_71_a_b_e:Pb-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Pb-Rh-Y +mp-985288,As3W,-6.1214868887,0.6123844725,0.6630193838,0.6630193838,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-W,8.0,A3B_hP8_194_h_c:As-W +mp-1183184,As3W,-6.11995042,0.6139209412000001,0.6645558525,0.6645558525,GGA,Fm-3m,A3B_cF16_225_ac_b:As-W,4.0,A3B_cF16_225_ac_b:As-W +mp-1224396,GeAsW,-7.4413074933,-0.0278819967,0.0171268133,0.0171268133,GGA,C2/m,ABC_mC12_12_i_i_i:As-Ge-W,6.0,ABC_mC12_12_i_i_i:As-Ge-W +mp-1077179,As2W,-7.4907626883,-0.0653070083,0.0022062067,0.0022062067,GGA,C2/m,A2B_mC12_12_2i_i:As-W,6.0,A2B_mC12_12_2i_i:As-W +mp-11696,As3W2,-8.059738993,-0.081015858,0.0,-0.0222395505,GGA,C2/m,A3B2_mC20_12_3i_2i:As-W,10.0,A3B2_mC20_12_3i_2i:As-W +mp-1206545,PrCo5H4,-5.546121346,-0.156781455,0.109855529,0.109855529,GGA,Cmmm,A5B4C_oC20_65_aeh_fg_c:Co-H-Pr,10.0,A5B4C_oC20_65_aeh_fg_c:Co-H-Pr +mp-975657,PrH,-4.5484522625,-0.4616363625,0.0820600162,0.0820600162,GGA,P6_3mc,AB_hP4_186_b_b:H-Pr,4.0,AB_hP4_186_b_b:H-Pr +mp-1226072,Co4H,-6.394256614,-0.029057169,0.003881027,0.003881027,GGA,P-3m1,A4B_hP5_164_2d_a:Co-H,5.0,"Invalid WP multiplicities - A4B_hP5_164_4d_a:Co-H, expected Co8H to be Co4H" +mp-981547,PrH3,-4.3651906875,-0.625419715,0.0,-0.0817233362,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Pr,4.0,A3B_tI8_139_ad_b:H-Pr +mp-1025425,Co3H,-6.2205926025,-0.041172745,0.0,-0.0060063708,GGA,P6_3/mmc,A3B_hP8_194_cf_a:Co-H,8.0,A3B_hP8_194_cf_a:Co-H +mp-1183683,Co3H,-5.67260305,0.5068168075,0.5479895525,0.5419831817,GGA,Fm-3m,A3B_cF16_225_ac_b:Co-H,4.0,A3B_cF16_225_ac_b:Co-H +mp-1183678,CoH3,-4.20240147,0.1192225125,0.1520787125,0.1520787125,GGA,Pm-3m,AB3_cP4_221_a_c:Co-H,4.0,AB3_cP4_221_a_c:Co-H +mp-24095,PrH2,-4.58038112,-0.7249285050000001,0.0,-0.1541032408,GGA,Fm-3m,A2B_cF12_225_c_a:H-Pr,3.0,A2B_cF12_225_c_a:H-Pr +mp-1206874,CoH,-5.31623432,-0.0657123999999999,0.0,-0.0382639033,GGA,Fm-3m,AB_cF8_225_a_b:Co-H,2.0,AB_cF8_225_a_b:Co-H +mp-1207728,Y5(GeSb)2,-6.5838508117,-1.0464715054,0.0,-0.0162809602,GGA,Cmce,A2B2C5_oC36_64_f_d_ag:Ge-Sb-Y,18.0,A2B2C5_oC36_64_f_d_ag:Ge-Sb-Y +mp-1077418,USbPd,-7.2844100133,-0.41764566,0.060451026,0.060451026,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Pd-Sb-U,6.0,ABC_hP6_194_c_d_a:Pd-Sb-U +mp-1189990,U3Sb4Pd3,-7.086481023,-0.493492981,0.0080538526,0.0080538526,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Pd-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Pd-Sb-U +mp-4207,USb2Pd,-6.71904563,-0.536722055,0.0,-0.0441189318,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Pd-Sb-U,8.0,AB2C_tP8_129_a_bc_c:Pd-Sb-U +mp-1216580,U2Sb4Pd,-6.8046504986,-0.4791209571,0.0,-0.0070874636,GGA,P-4m2,AB4C2_tP7_115_c_abg_g:Pd-Sb-U,7.0,AB4C2_tP7_115_c_abg_g:Pd-Sb-U +mp-1207137,USbPd2,-6.8785765275,-0.43353281,0.1054626784,0.1054626784,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sb-U,4.0,A2BC_cF16_225_c_a_b:Pd-Sb-U +mp-5622,Nd(CoP)2,-6.94041806,-0.9781404528,0.0,-0.0250019517,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Nd-P,5.0,A2BC2_tI10_139_d_a_e:Co-Nd-P +mp-1018813,NdCoP,-6.7026691967000005,-0.9394132853,0.082175145,0.082175145,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Nd-P,6.0,ABC_tP6_129_a_c_c:Co-Nd-P +mp-1197357,NdCo3P2,-7.0095346692,-0.8562503640000001,0.0,-0.017492874,GGA,Pmmn,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Nd-P,36.0,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Nd-P +mp-1188626,Nd(CoP3)4,-6.3105009282,-0.5363215934000001,0.0890865224,0.0890865224,GGA,Im-3,A4BC12_cI34_204_c_a_g:Co-Nd-P,17.0,A4BC12_cI34_204_c_a_g:Co-Nd-P +mp-974042,Nd2Co12P7,-7.0676256133,-0.7471862823000001,0.0,-0.0057266294,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Nd-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Nd-P +mp-1200320,NdCo5P3,-7.0611076131,-0.7778138433,0.0,-0.0063910984,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Nd-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Nd-P +mp-982510,P3Au,-4.225903325,0.652544055,0.7215206662,0.7215206662,GGA,I4/mmm,AB3_tI8_139_a_bd:Au-P,4.0,AB3_tI8_139_a_bd:Au-P +mp-27258,P3Au2,-4.667896882,-0.110362578,0.0,-0.110362578,GGA,C2/m,A2B3_mC20_12_eh_ij:Au-P,10.0,A2B3_mC20_12_eg_ij:Au-P +mp-22783,EuPAu,-7.2410289067,-0.9263001378,0.0,-0.1071439043,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Eu-P,6.0,ABC_hP6_194_c_a_d:Au-Eu-P +mp-1186366,PAu3,-3.49321082,0.3155263067,0.3615107142,0.3615107142,GGA,I4/mmm,A3B_tI8_139_ad_b:Au-P,4.0,A3B_tI8_139_ad_b:Au-P +mp-1186369,PAu3,-3.5049790037,0.3037581229,0.3497425304,0.3497425304,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-P,8.0,A3B_hP8_194_h_c:Au-P +mp-3706,Ho2Co12P7,-7.1095826886,-0.8068327444000001,0.0,-0.0051775892,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Ho-P,21.0,"Invalid WP multiplicities - A12B2C7_hP21_174_4j4k_ad_ej2k:Co-Ho-P, expected HoCo12P5 to be Ho2Co12P7" +mp-1199038,HoCo5P3,-7.1106980811,-0.8480419294,0.0,-0.0087582732,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Ho-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Ho-P +mp-1224618,Ho5Co19P12,-7.0885647667,-0.8960727518,0.0,-0.0005308122,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Ho-P,36.0,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Ho-P +mp-1224463,HoCo3P2,-7.0653698278,-0.9430419497,0.0,-0.0213181003,GGA,Pmmn,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Ho-P,36.0,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Ho-P +mp-1219729,PrSmB12,-6.8745583536,-0.4708302721,0.0,-0.0017115393,GGA,P4/mmm,A12BC_tP14_123_iq_a_c:B-Pr-Sm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_2iq_a_c:B-Pr-Sm, expected PrSmB16 to be PrSmB12" +mp-12569,PrB4,-6.8428869765,-0.5431924088,0.0,-0.0579157014,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Pr,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Pr, expected PrB6 to be PrB4" +mp-1004753,PrB12,-6.7239283231,-0.1905739381,0.0696311073,0.0696311073,GGA,Fm-3m,A12B_cF52_225_h_b:B-Pr,13.0,A12B_cF52_225_h_b:B-Pr +mp-16762,PrB3,-6.2371536087,-0.0323833419,0.4788088281,0.4788088281,GGA,P6_3/mmc,A3B_hP8_194_h_c:B-Pr,8.0,A3B_hP8_194_h_c:B-Pr +mp-12762,PrB6,-6.8914174243,-0.4832379414,0.0,-0.0952433637,GGA,Pm-3m,A6B_cP7_221_e_b:B-Pr,7.0,A6B_cP7_221_e_b:B-Pr +mp-16713,Pr2B5,-6.6253020514,-0.4883348565,0.0,-0.0033416344,GGA,C2/c,A5B2_mC56_15_5f_2f:B-Pr,28.0,A5B2_mC56_15_5f_2f:B-Pr +mp-1246152,Zn4IrN4,-4.9857017578,0.2613413889,0.3828614736,0.3828614736,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ir-N-Zn,18.0,AB4C4_aP18_2_i_4i_4i:Ir-N-Zn +mp-1246262,Zn2IrN3,-5.8306086817,0.2306256808,0.339717105,0.339717105,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Ir-N-Zn,12.0,AB3C2_oC24_36_a_ab_b:Ir-N-Zn +mp-632822,Li5B4,-3.8296354611,0.1994958074,0.3468927463,0.3468927463,GGA,Cm,A4B5_mC18_8_2ab_3ab:B-Li,9.0,A4B5_mC18_8_2ab_3ab:B-Li +mp-27658,Li5B4,-3.5233889756,0.5057422930000001,0.6531392319,0.6531392319,GGA,R3m,A4B5_hR27_160_ab_2ab:B-Li,9.0,A4B5_hR27_160_ab_2ab:B-Li +mp-20234,Li2BPt3,-5.3556387638,-0.5705325197000001,0.0,-0.0434302237,GGA,P4_332,AB2C3_cP24_212_a_c_d:B-Li-Pt,24.0,AB2C3_cP24_212_a_c_d:B-Li-Pt +mp-1185180,Li3B,-2.728101025,0.3734390677,0.4563498458,0.4563498458,GGA,I4/mmm,AB3_tI8_139_a_bd:B-Li,4.0,AB3_tI8_139_a_bd:B-Li +mp-1222698,Li2B,-3.1324078067,0.3666713614,0.4772190656,0.4772190656,GGA,P6/mmm,AB2_hP3_191_a_d:B-Li,3.0,AB2_hP3_191_a_d:B-Li +mp-28613,LiBPt3,-5.8731483633,-0.5128054438,0.0,-0.1091940795,GGA,P-62m,ABC3_hP15_189_bc_f_fk:B-Li-Pt,15.0,ABC3_hP15_189_bc_f_fk:B-Li-Pt +mp-1080576,LiB,-3.8404373237,0.453719995,0.6195415513,0.6117553126,GGA,Pmma,AB_oP8_51_af_ef:B-Li,8.0,AB_oP8_51_af_ef:B-Li +mp-16726,LiB,-4.3892595575,-0.0951022388,0.0707193175,0.0629330789,GGA,Pnma,AB_oP8_62_c_c:B-Li,8.0,AB_oP8_62_c_c:B-Li +mp-1205309,LiB,-4.38909683,-0.0949395112,0.070882045,0.0630958064,GGA,Imma,AB_oI8_74_e_a:B-Li,4.0,AB_oI8_74_e_a:B-Li +mp-1001835,LiB,-4.459978875,-0.1658215563,0.0,-0.0077862386,GGA,P6_3/mmc,AB_hP4_194_a_c:B-Li,4.0,AB_hP4_194_a_c:B-Li +mp-1001831,LiB,-4.0804457425,0.2137115762,0.3795331325,0.3717468939,GGA,Fd-3m,AB_cF16_227_a_b:B-Li,4.0,AB_cF16_227_a_b:B-Li +mp-1101854,LiB11,-5.5303087692,0.7515439263,0.8305615851,0.8305615851,GGA,I-4m2,A11B_tI24_119_aegi_c:B-Li,12.0,A11B_tI24_119_aegi_c:B-Li +mp-1103120,LiB11,-5.6121010908,0.6697516047000001,0.7487692635000001,0.7487692635000001,GGA,I-4m2,A11B_tI24_119_aegi_c:B-Li,12.0,A11B_tI24_119_aegi_c:B-Li +mp-1180507,LiB11,-6.1524733158,0.1293793797,0.2083970385,0.2083970385,GGA,R3m,A11B_hR36_160_2a3b_a:B-Li,12.0,A11B_hR36_160_2a3b_a:B-Li +mp-1103394,LiB11,-5.4860459417000005,0.7958067538,0.8748244126,0.8748244126,GGA,F-43m,A11B_cF48_216_aef_c:B-Li,12.0,A11B_cF48_216_aef_c:B-Li +mp-1103613,LiB11,-6.0179999933,0.2638527022,0.342870361,0.342870361,GGA,F-43m,A11B_cF48_216_aeg_b:B-Li,12.0,A11B_cF48_216_aeg_b:B-Li +mp-1222412,LiB3,-5.59996602,-0.1131914752,0.1238615012,-0.0302806971,GGA,P4/mmm,A3B_tP8_123_gl_h:B-Li,8.0,A3B_tP8_123_gl_h:B-Li +mp-1222413,LiB3,-5.7238275212000005,-0.2370529765,0.0,-0.1541421983,GGA,P4/mbm,A3B_tP16_127_ei_h:B-Li,16.0,A3B_tP16_127_ei_h:B-Li +mp-1105976,LiB9,-6.166277219,0.0360676614,0.130888852,0.130888852,GGA,P6_3cm,A9B_hP20_185_cd_a:B-Li,20.0,A9B_hP20_185_cd_a:B-Li +mp-1216345,UAlAu,-6.4145079767,-0.3108853633,0.0,-0.0291581683,GGA,Immm,ABC_oI12_71_e_f_g:Al-Au-U,6.0,ABC_oI12_71_e_f_g:Al-Au-U +mp-1080079,U(AlAu)2,-5.392912211,-0.326847077,0.0228888243,0.0228888243,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-U,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-U +mp-1189519,UAlAu2,-5.6458063994,-0.2496189394,0.074265269,0.074265269,GGA,Pnma,AB2C_oP16_62_c_d_c:Al-Au-U,16.0,AB2C_oP16_62_c_d_c:Al-Au-U +mp-1207706,TmMnB4,-7.414570905,-0.6886679385000001,0.0,-0.1179396902,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Tm +mp-680512,Ce25Ni49P33,-6.6671486444,-0.9644111779,0.0344994873,0.0344994873,GGA,P-6m2,A25B49C33_hP107_187_a3jklm_d3j3k2l3m_3j2kl2m:Ce-Ni-P,107.0,"Invalid WP multiplicities - A25B49C33_hP107_187_a9j3k6l5m_d9j8k10l16m_9j6k5l7m:Ce-Ni-P, expected Ce103(Ni16P9)13 to be Ce25Ni49P33" +mp-569697,Ce(NiP)2,-6.6736022120000005,-1.0096087063,0.0,-0.0579263764,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Ce-Ni-P +mp-582274,Ce(Ni5P2)2,-6.296718013,-0.6042069476,0.0080320969,0.0080320969,GGA,Pnma,AB10C4_oP60_62_c_10c_4c:Ce-Ni-P,60.0,"Invalid WP multiplicities - AB10C4_oP60_62_c_35c_13c:Ce-Ni-P, expected CeNi35P13 to be Ce(Ni5P2)2" +mp-569521,Ce2Ni12P7,-6.4238411924,-0.7514156678,0.0,-0.0146286188,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ce-Ni-P,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_3j5k_e2j2k:Ce-Ni-P, expected Ce2Ni24P13 to be Ce2Ni12P7" +mp-505789,Ce2Ni7P4,-6.5513451738,-0.8605493972,0.0,-0.0032602346,GGA,Pmn2_1,A2B7C4_oP26_31_2a_7a_4a:Ce-Ni-P,26.0,A2B7C4_oP26_31_2a_7a_4a:Ce-Ni-P +mp-1214085,Ce2Ni12P5,-6.393736265,-0.6940346332,0.0,-0.0124656763,GGA,P2_1/m,A2B12C5_mP38_11_2e_12e_5e:Ce-Ni-P,38.0,A2B12C5_mP38_11_2e_12e_5e:Ce-Ni-P +mp-571125,Ce8Ni18P11,-6.6678371155,-0.9636884384,0.0,-0.0290189776,GGA,P-6m2,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Ce-Ni-P,74.0,"Invalid WP multiplicities - A8B18C11_hP74_187_a3j6k4l_8j9k6l11m_c2j6k3l6m:Ce-Ni-P, expected Ce52Ni153P79 to be Ce8Ni18P11" +mp-1103629,CeNiP,-6.8792393092,-1.1703965286,0.0,-0.0794538137,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ce-Ni-P,12.0,ABC_hP12_194_ab_f_f:Ce-Ni-P +mp-1214139,Ce6Ni20P13,-6.5778360315,-0.8964462593,0.0,-0.0215113357,GGA,P-6,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Ce-Ni-P,39.0,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Ce-Ni-P +mp-1193687,Ce6Ni6P17,-6.4562711866,-0.8595298892000001,0.0015436724,0.0015436724,GGA,I-43m,A6B6C17_cI58_217_e_d_acg:Ce-Ni-P,29.0,A6B6C17_cI58_217_e_d_acg:Ce-Ni-P +mp-649704,Ce9(Ni13P6)2,-6.5301789023,-0.8144132395,0.0284367723,0.0284367723,GGA,P-6m2,A9B26C12_hP47_187_2jk_adj3klm_2jm:Ce-Ni-P,47.0,"Invalid WP multiplicities - A9B26C12_hP47_187_3j3k_ad3j9k4l6m_5j3m:Ce-Ni-P, expected Ce18Ni98P33 to be Ce9(Ni13P6)2" +mp-7198,SrPSe3,-4.7588590135,-1.2407529349,0.0,-0.1178393083,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:P-Se-Sr,20.0,AB3C_mP20_14_e_3e_e:P-Se-Sr +mp-1215187,ZrUAl4,-6.0364696917,-0.2329006983,0.1416988673,0.1416988673,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-U-Zr,6.0,A4BC_cF24_216_e_a_c:Al-U-Zr +mp-1215183,ZrUAl6,-5.5982772788,-0.3092065763,0.0090644322,0.0090644322,GGA,P4/mmm,A6BC_tP8_123_abi_c_d:Al-U-Zr,8.0,A6BC_tP8_123_abi_c_d:Al-U-Zr +mp-1226950,Cd2TeS,-3.0061925,-0.7248086799,0.0517655687,0.0517655687,GGA,P3m1,A2BC_hP4_156_ab_a_b:Cd-S-Te,4.0,A2BC_hP4_156_ab_a_b:Cd-S-Te +mp-1226846,Cd5Te4S,-2.80198798,-0.6695757560000001,0.0426391295,0.0426391295,GGA,R3m,A5BC4_hR30_160_5a_a_4a:Cd-S-Te,10.0,A5BC4_hR30_160_5a_a_4a:Cd-S-Te +mp-1226820,Cd5TeS4,-3.241701629,-0.8113462129,0.029587399,0.029587399,GGA,I-4m2,A5B4C_tI20_119_a2e_2f_c:Cd-S-Te,10.0,"Invalid WP multiplicities - A5B4C_tI20_119_a3e_3f_c:Cd-S-Te, expected Cd7TeS6 to be Cd5TeS4" +mp-1227016,Cd5TeS4,-3.240342374,-0.8099869579000001,0.030946654,0.030946654,GGA,P3m1,A5B4C_hP20_156_5a5b_3a5b_2a:Cd-S-Te,20.0,A5B4C_hP20_156_5a5b_3a5b_2a:Cd-S-Te +mp-1311,Cr5S6,-7.5130836823,-0.8690894503000001,0.0344980214,0.0344980214,GGA,P-31c,A5B6_hP22_163_abcf_i:Cr-S,22.0,"Invalid WP multiplicities - A5B6_hP22_163_2a2bc2f_i:Cr-S, expected Cr3S2 to be Cr5S6" +mp-28910,CrS2,-6.8373136,-0.8619978654,0.0078223767,-0.0132683138,GGA,C2/m,AB2_mC6_12_a_i:Cr-S,3.0,AB2_mC6_12_a_i:Cr-S +mp-1042111,CrS2,-6.65735806,-0.6820423254,0.1877779167,0.1666872262,GGA,I-42d,AB2_tI12_122_a_d:Cr-S,6.0,AB2_tI12_122_a_d:Cr-S +mp-755263,CrS2,-6.8451359767,-0.8698202421000001,0.0,-0.0210906904,GGA,P-3m1,AB2_hP3_164_a_d:Cr-S,3.0,AB2_hP3_164_a_d:Cr-S +mp-1413688,CrS2,-6.7920387833,-0.8167230488,0.0530971933,0.0320065029,GGA,R-3m,AB2_hR9_166_a_c:Cr-S,3.0,AB2_hR9_166_a_c:Cr-S +mp-1442954,CrS2,-6.81567497,-0.8403592354,0.0294610067,0.0083703162,GGA,R-3m,AB2_hR36_166_ad_ch:Cr-S,12.0,"Invalid WP multiplicities - AB2_hR36_166_a2d_2c3h:Cr-S, expected Cr7S22 to be CrS2" +mp-1407236,CrS2,-6.6439610717,-0.6686453371000001,0.201174905,0.1800842146,GGA,Fd-3m,AB2_cF48_227_c_e:Cr-S,12.0,AB2_cF48_227_c_e:Cr-S +mp-849083,Cr2S3,-7.309329175,-0.9662402669,0.027705952,0.0014459775,GGA,P3,A2B3_hP20_143_2a3b3c_4d:Cr-S,20.0,"Invalid WP multiplicities - A2B3_hP20_143_2a3b3c_10d:Cr-S, expected Cr4S15 to be Cr2S3" +mp-849081,Cr2S3,-7.037394108,-0.6943051999000001,0.299641019,0.2733810445,GGA,R3,A2B3_hR30_146_4a_2b:Cr-S,10.0,"Invalid WP multiplicities - A2B3_hR30_146_4a_5b:Cr-S, expected Cr4S15 to be Cr2S3" +mp-13685,Cr2S3,-7.336454008,-0.9933650999,0.000581119,-0.0256788555,GGA,P-31c,A2B3_hP20_163_bcf_i:Cr-S,20.0,A2B3_hP20_163_bcf_i:Cr-S +mp-555569,Cr2S3,-7.337035127,-0.9939462189,0.0,-0.0262599745,GGA,R-3,A2B3_hR30_148_abc_f:Cr-S,10.0,"Invalid WP multiplicities - A2B3_hR30_148_ab2c_f:Cr-S, expected CrS to be Cr2S3" +mp-523,CrS,-7.5977626775,-0.7030140091,0.1252745067,0.1252745067,GGA,P6_3/mmc,AB_hP4_194_a_c:Cr-S,4.0,AB_hP4_194_a_c:Cr-S +mp-1226578,Cr19S30,-7.2498457806,-0.9743070472,0.0079846265,0.0079846265,GGA,P-1,A19B30_aP49_2_a9i_15i:Cr-S,49.0,"Invalid WP multiplicities - A19B30_aP49_2_a15i_30i:Cr-S, expected Cr31S60 to be Cr19S30" +mp-1226930,Cr19S30,-7.2498694553,-0.9743307219,0.0079609518,0.0079609518,GGA,P-1,A19B30_aP49_2_a9i_15i:Cr-S,49.0,"Invalid WP multiplicities - A19B30_aP49_2_a16i_30i:Cr-S, expected Cr11S20 to be Cr19S30" +mp-1226328,Cr4Te3S,-6.8307890325,-0.3084693541,0.1895410439,0.1895410439,GGA,Imm2,A4BC3_oI16_44_2c_a_bc:Cr-S-Te,8.0,"Invalid WP multiplicities - A4BC3_oI16_44_3c_a_bc:Cr-S-Te, expected Cr6Te3S to be Cr4Te3S" +mp-1341046,Cr2S5,-6.2825356936,-0.5699150829,0.1756451246,0.1756451246,GGA,Pmmn,A2B5_oP14_59_e_a2e:Cr-S,14.0,"Invalid WP multiplicities - A2B5_oP14_59_e_a3e:Cr-S, expected Cr2S7 to be Cr2S5" +mp-684674,Cr5S8,-7.2282351915,-0.9700170158,0.0092863131,-0.0017157446,GGA,P-1,A5B8_aP39_2_acd6i_12i:Cr-S,39.0,"Invalid WP multiplicities - A5B8_aP39_2_acd10i_24i:Cr-S, expected Cr23S48 to be Cr5S8" +mp-849084,Cr5S8,-7.2194184215,-0.9612002458,0.0181030831,0.0071010254,GGA,Cm,A5B8_mC52_8_6a2b_8a4b:Cr-S,26.0,"Invalid WP multiplicities - A5B8_mC52_12_gh5i_8i3j:Cr-S, expected CrS2 to be Cr5S8" +mp-1181961,Cr5S8,-7.2375215046,-0.9793033288,0.0,-0.0110020577,GGA,C2/m,A5B8_mC26_12_ahi_2ij:Cr-S,13.0,"Invalid WP multiplicities - A5B8_mC26_12_ahi_3ij:Cr-S, expected CrS2 to be Cr5S8" +mp-849071,Cr3S4,-7.425949745,-0.9252437625,0.021371684,0.021371684,GGA,P2_1/m,A3B4_mP14_11_3e_4e:Cr-S,14.0,"Invalid WP multiplicities - A3B4_mP14_11_5e_8e:Cr-S, expected Cr5S8 to be Cr3S4" +mp-964,Cr3S4,-7.4468176414,-0.9461116589,0.0005037876,0.0005037876,GGA,C2/m,A3B4_mC14_12_ai_2i:Cr-S,7.0,"Invalid WP multiplicities - A3B4_mC14_12_ai_3i:Cr-S, expected CrS2 to be Cr3S4" +mp-865472,VSiTc2,-9.32596645,-0.5183409525,0.0,-0.0879442531,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Si-Tc-V,4.0,AB2C_cF16_225_a_c_b:Si-Tc-V +mp-1222958,LaEuS2,-8.26478237,-2.3983052103,0.01272723,0.01272723,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-La-S,4.0,ABC2_hR12_166_a_b_c:Eu-La-S +mp-677272,La2EuS4,-7.7190245964,-2.4797652425,0.0,-0.010231345,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-La-S,14.0,AB2C4_tI28_122_a_d_e:Eu-La-S +mp-1103317,SbRhS,-6.0083839458,-0.7984642869,0.0,-0.1323840805,GGA,P2_13,ABC_cP12_198_a_a_a:Rh-S-Sb,12.0,ABC_cP12_198_a_a_a:Rh-S-Sb +mp-34913,Nd5ErS8,-6.6778880643,-2.2850269995,0.0571788606,0.0571788606,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Er-Nd-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_4g:Er-Nd-S, expected Nd9ErS16 to be Nd5ErS8" +mp-1189069,Nd(ErS2)3,-6.7132029475,-2.3842026411,0.0,-0.0190579981,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Er-Nd-S,20.0,A3BC6_mP20_11_3e_e_6e:Er-Nd-S +mp-1200469,Nd4(ErS2)11,-6.6848719468,-2.35191536,0.0251714473,0.0251714473,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Er-Nd-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Er-Nd-S +mp-20229,Sm3InC,-3.646163034,1.5810584915,1.872080728,1.872080728,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Sm,5.0,ABC3_cP5_221_a_b_c:C-In-Sm +mp-1105738,Zr5Sb3C,-7.9795828972,-0.8291193014,0.0,-0.0464641382,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:C-Sb-Zr +mp-1211485,La3AuI3,-4.5676260432,-1.3530542768,0.0,-0.0076254926,GGA,I4_132,AB3C3_cI56_214_a_h_g:Au-I-La,28.0,AB3C3_cI56_214_a_h_g:Au-I-La +mp-674940,La12Au3I13,-4.5307719625,-1.3805043264,0.0022603353,0.0022603353,GGA,R32,A3B13C12_hR84_155_d_a2df_2ef:Au-I-La,28.0,"Invalid WP multiplicities - A3B13C12_hR84_155_d_a5d2f_4e2f:Au-I-La, expected La24Au3I28 to be La12Au3I13" +mp-27725,AuI,-2.6648137138,-0.2911895388,0.0,-0.11167522,GGA,P4_2/ncm,AB_tP8_138_c_e:Au-I,8.0,AB_tP8_138_c_e:Au-I +mp-1214760,AuI2,-2.3128906583,-0.239352425,0.0,-0.0452260658,GGA,P4_2/mmc,AB2_tP6_131_e_i:Au-I,6.0,AB2_tP6_131_e_i:Au-I +mp-1215594,YbGd3F12,-8.3118130406,-4.1427053775000005,0.0,-0.2041329999999999,GGA,Pm,A12B3C_mP16_6_2a2b4c_a2b_a:F-Gd-Yb,,"Invalid WP multiplicities - A12B3C_mP16_6_2a2b8c_a2b_a:F-Gd-Yb, expected YbGd3F20 to be YbGd3F12" +mp-1096615,Ta2VMo,-6.2898382575,4.6214396025,4.714130215,4.714130215,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ta-V,4.0,AB2C_oI8_71_a_e_b:Mo-Ta-V +mp-1097589,TaVMo2,-6.26444846,4.39379752,4.498270165,4.498270165,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Ta-V,4.0,A2BC_oI8_71_e_a_b:Mo-Ta-V +mp-541348,Tb2Au5F21,-4.5857560396,-2.2364988783,0.0,-0.0167179974,GGA,P-1,A5B21C2_aP56_2_5i_bc20i_2i:Au-F-Tb,56.0,A5B21C2_aP56_2_5i_bc20i_2i:Au-F-Tb +mp-1222918,LaCeN2,-8.485400805,-1.5998792775,0.0,-0.0097514338,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-La-N,4.0,ABC2_hR12_166_a_b_c:Ce-La-N +mp-1201150,Ho2N3,-7.5588444563,-0.7239839532,0.8108522528000001,0.8108522528000001,GGA,Ia-3,A2B3_cI80_206_ad_e:Ho-N,40.0,A2B3_cI80_206_ad_e:Ho-N +mp-1192541,Ho3Te3N,-6.2352333864,-1.7332849271000002,0.0,-0.0062503471,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Ho-N-Te,28.0,A3BC3_mP28_14_3e_e_3e:Ho-N-Te +mp-1001844,HoN,-7.439797735,-0.9803458375,0.93819942,-0.3770258765,GGA,Pm-3m,AB_cP2_221_a_b:Ho-N,2.0,AB_cP2_221_a_b:Ho-N +mp-883,HoN,-8.377997155,-1.9185452575,0.0,-1.3152252965,GGA,Fm-3m,AB_cF8_225_a_b:Ho-N,2.0,AB_cF8_225_a_b:Ho-N +mp-1097647,Y2PdPt,-4.5948544025,1.4511349367,2.5344942612,2.5344942612,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Pd-Pt-Y +mp-1215893,YSc,-6.348379415,0.0510906942,0.0510906942,0.0510906942,GGA,P-6m2,AB_hP2_187_a_d:Sc-Y,2.0,AB_hP2_187_a_d:Sc-Y +mp-1097110,YScAg2,-2.56935027,2.0466627862,2.35509614,2.35509614,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Ag-Sc-Y +mp-641010,La4Te3N2,-6.973612455,-1.8795084606,0.0,-0.1803801796,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:La-N-Te,36.0,"Invalid WP multiplicities - A4B2C3_oP36_62_5c5d_d_4c4d:La-N-Te, expected La15(Te6N)2 to be La4Te3N2" +mp-644389,Li2H2Pd,-3.588439292,-0.4318033653,0.008350682,0.008350682,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:H-Li-Pd,5.0,A2B2C_tI10_139_e_e_a:H-Li-Pd +mp-1018133,LiHPd,-3.8970801967,-0.4032366228,0.0,-0.0314061721,GGA,P4/mmm,ABC_tP3_123_a_b_c:H-Li-Pd,3.0,ABC_tP3_123_a_b_c:H-Li-Pd +mp-1180477,LiHPd,-3.6468931,-0.1530495261,0.2501870967,0.2187809246,GGA,P4/mmm,ABC_tP3_123_c_b_a:H-Li-Pd,3.0,ABC_tP3_123_c_b_a:H-Li-Pd +mp-23703,LiH,-3.14635464,-0.4955301842,0.0,-0.4955301842,GGA,Fm-3m,AB_cF8_225_a_b:H-Li,2.0,AB_cF8_225_a_b:H-Li +mp-865522,YCdAu2,-4.156542475,-0.6722612567,0.0,-0.0261312875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cd-Y,4.0,A2BC_cF16_225_c_a_b:Au-Cd-Y +mp-1093811,Y2CdAu,-2.5222319975,1.7601964992,2.380905065,2.380905065,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cd-Y,4.0,ABC2_oI8_71_a_b_e:Au-Cd-Y +mp-1206674,YCdAu,-4.2223416111,-0.66792732,0.0,-0.0509344774,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Cd-Y,9.0,ABC_hP9_189_ad_g_f:Au-Cd-Y +mp-1247471,Fe(ReN2)3,-9.460520584,0.1217366475,0.265225023,0.265225023,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Fe-N-Re,20.0,AB6C3_mP20_14_a_3e_be:Fe-N-Re +mp-1217648,U2(Mo3Se4)5,-7.7096202624,-0.8127067159,0.0667576138,0.0667576138,GGA,P-1,A15B20C2_aP74_2_15i_20i_2i:Mo-Se-U,74.0,"Invalid WP multiplicities - A15B20C2_aP74_2_30i_39i_3i:Mo-Se-U, expected UMo10Se13 to be U2(Mo3Se4)5" +mp-30789,U2Mo,-11.0740630833,0.0687602933,0.0687602933,0.0687602933,GGA,I4/mmm,AB2_tI6_139_a_e:Mo-U,3.0,AB2_tI6_139_a_e:Mo-U +mp-1079710,UMo,-10.818154845,0.250375215,0.250375215,0.250375215,GGA,P2_1/c,AB_mP8_14_e_e:Mo-U,8.0,AB_mP8_14_e_e:Mo-U +mp-1178856,UMo,-10.8991463363,0.1693837238,0.1693837238,0.1693837238,GGA,P2_1/c,AB_mP8_14_e_e:Mo-U,8.0,AB_mP8_14_e_e:Mo-U +mp-1178889,UMo,-10.6963141662,0.3722158938,0.3722158938,0.3722158938,GGA,Pnma,AB_oP8_62_c_c:Mo-U,8.0,AB_oP8_62_c_c:Mo-U +mp-1216893,U7Mo,-11.0626880888,0.1730019337,0.1730019337,0.1730019337,GGA,Pmmm,AB7_oP8_47_a_bghjk:Mo-U,8.0,AB7_oP8_47_a_bghjk:Mo-U +mp-1202304,Gd2B6Os,-9.4230260269,-0.5945857453,0.0,-0.028374614,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Gd-Os,36.0,A6B2C_oP36_55_6h_2g_g:B-Gd-Os +mp-1191685,GdB4Os,-9.2309063629,-0.5607302374,0.0,-0.0448092629,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-Os,24.0,A4BC_oP24_55_4h_g_g:B-Gd-Os +mp-1079837,Gd(BOs)2,-10.443847762,-0.4659196337,0.0,-0.044510953,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Gd-Os,10.0,A2BC2_oF40_70_e_a_f:B-Gd-Os +mp-1188331,GdB2Os,-10.1923291538,-0.5267608508,0.0,-0.0179293846,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Gd-Os,16.0,A2BC_oP16_62_d_c_c:B-Gd-Os +mp-10134,TmBPd3,-5.980240968,-0.6412664432,0.1140353108,0.1140353108,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Tm,5.0,AB3C_cP5_221_b_c_a:B-Pd-Tm +mp-1224554,GdUAl4,-6.98315119,-0.258178595,0.1068453504,0.1068453504,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Gd-U,6.0,A4BC_cF24_216_e_a_c:Al-Gd-U +mp-540772,Er2Ni12P7,-6.3146077167,-0.772217463,0.0,-0.0225368154,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Ni-P +mp-1105062,Er(Ni2P)2,-6.3389310221,-0.8368066588,0.0,-0.0274636583,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Er-Ni-P,14.0,AB4C2_tP14_136_a_i_f:Er-Ni-P +mp-1213358,Er6Ni20P13,-6.3886071762,-0.9172743801,0.0,-0.0310408539,GGA,P-6,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Er-Ni-P,39.0,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Er-Ni-P +mp-1213636,Er8Ni18P11,-6.3931695222,-0.9842360548,0.0,-0.0038730376,GGA,P-6m2,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Er-Ni-P,74.0,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Er-Ni-P +mp-1213669,Er25Ni49P33,-6.4139946066,-1.030268903,0.0,-0.0047254439,GGA,P-6m2,A25B49C33_hP107_187_aj3klm_c3j3k3l2m_2j3k2lm:Er-Ni-P,107.0,A25B49C33_hP107_187_aj3klm_c3j3k3l2m_2j3k2lm:Er-Ni-P +mp-1103423,ErNiP,-6.4743100042,-1.2205906719,0.0,-0.0657754916,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Er-Ni-P,12.0,ABC_hP12_194_ab_f_f:Er-Ni-P +mp-3455,Er(NiP)2,-6.39691386,-1.0059944233,0.0,-0.0225277001,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Er-Ni-P +mp-1226558,Co2Re5B4,-9.6017538032,-0.2238593852,0.0640272049,0.0640272049,GGA,Cmmm,A4B2C5_oC44_65_gim_eh_jno:B-Co-Re,22.0,"Invalid WP multiplicities - A4B2C5_oC44_65_gim_eh_j2n2o:B-Co-Re, expected Co2Re9B4 to be Co2Re5B4" +mp-1213771,Co3(ReB)4,-9.1341061464,-0.2413216729,0.0561783066,0.0561783066,GGA,P4/mbm,A4B3C4_tP22_127_eg_ah_k:B-Co-Re,22.0,A4B3C4_tP22_127_eg_ah_k:B-Co-Re +mp-541852,Co21(ReB3)2,-7.5790728334,-0.1914839131,0.0,-0.0189165864,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Re,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Re +mp-1226435,Co3ReB4,-7.8640085462,-0.3031275896,0.0829476841,0.0829476841,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:B-Co-Re,8.0,A4B3C_mP8_6_2a2b_a2b_a:B-Co-Re +mp-21464,CoReB,-9.018696595,-0.2746176781,0.0089178758,0.0089178758,GGA,Pnma,ABC_oP12_62_c_c_c:B-Co-Re,12.0,ABC_oP12_62_c_c_c:B-Co-Re +mp-1226569,Co3Re25B12,-10.5495233565,-0.2347525,0.0051790536,0.0051790536,GGA,Pm,A12B3C25_mP40_6_2a2b4c_2ab_4a5b8c:B-Co-Re,40.0,"Invalid WP multiplicities - A12B3C25_mP40_6_2a2b8c_2ab_4a5b16c:B-Co-Re, expected Co3Re41B20 to be Co3Re25B12" +mp-1207666,U3Al2Ge3,-7.1183852744,-0.2140771175,0.0324585683,0.0324585683,GGA,I4cm,A2B3C3_tI32_108_c_ac_ac:Al-Ge-U,16.0,A2B3C3_tI32_108_c_ac_ac:Al-Ge-U +mp-979924,Dy3Y,-5.0464673925,0.0252405158,0.0252405158,0.0252405158,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Y,4.0,A3B_tI8_139_ad_b:Dy-Y +mp-1184145,Dy3Y,-5.0569344425,0.0147734658,0.0147734658,0.0147734658,GGA,P6_3/mmc,A3B_hP8_194_h_c:Dy-Y,8.0,A3B_hP8_194_h_c:Dy-Y +mp-979419,Dy3Y,-5.045180855,0.0265270533,0.0265270533,0.0265270533,GGA,Pm-3m,A3B_cP4_221_c_a:Dy-Y,4.0,A3B_cP4_221_c_a:Dy-Y +mp-971922,DyYAl2,-5.0461149925,-0.4050125892,0.014310078,0.014310078,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Dy-Y,4.0,A2BC_cF16_225_c_a_b:Al-Dy-Y +mp-1184149,DyY3,-5.9919336288,0.0096164163,0.0096164163,0.0096164163,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Y,8.0,AB3_hP8_194_c_h:Dy-Y +mp-1205750,YMgAu,-4.4755805711,-0.6953695167,0.0,-0.0908720769,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-Mg-Y,9.0,ABC_hP9_189_ad_g_f:Au-Mg-Y +mp-866171,YMgAu2,-4.43404697,-0.7804181792,0.0,-0.03403734,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Mg-Y,4.0,A2BC_cF16_225_c_a_b:Au-Mg-Y +mp-631529,BSe2Cl,-2.6745803975,1.205357449,1.9074402715,1.9074402715,GGA,Fm-3m,ABC2_cF16_225_a_b_c:B-Cl-Se,4.0,ABC2_cF16_225_a_b_c:B-Cl-Se +mp-1203031,Sn3S7,-4.4659047288,-0.3675182654,0.2715545239,0.2715545239,GGA,Cc,A7B3_mC80_9_14a_6a:S-Sn,40.0,A7B3_mC80_9_14a_6a:S-Sn +mp-1202007,Sn3S7,-4.466946456,-0.3685599927,0.2705127967,0.2705127967,GGA,C2/c,A7B3_mC80_15_7f_3f:S-Sn,40.0,A7B3_mC80_15_7f_3f:S-Sn +mp-1002063,SnS2,-4.7389877167000005,-0.6448305204,0.0652503567,-0.0633925539,GGA,I-42d,A2B_tI12_122_d_a:S-Sn,6.0,A2B_tI12_122_d_a:S-Sn +mp-1170,SnS2,-4.8042380733000005,-0.7100808771,0.0,-0.1286429105,GGA,P-3m1,A2B_hP3_164_d_a:S-Sn,3.0,A2B_hP3_164_d_a:S-Sn +mp-9984,SnS2,-4.8035136650000005,-0.7093564688,0.0007244083,-0.1279185022,GGA,P6_3mc,A2B_hP6_186_ab_b:S-Sn,6.0,A2B_hP6_186_ab_b:S-Sn +mp-1095397,SnS2,-4.7939526283,-0.6997954321000001,0.010285445,-0.1183574655,GGA,Fd-3m,A2B_cF48_227_e_c:S-Sn,12.0,A2B_cF48_227_e_c:S-Sn +mp-727322,SnS,-4.710903805,-0.6378929441,0.0512908162,-0.0564549775,GGA,P-1,AB_aP4_2_i_i:S-Sn,4.0,AB_aP4_2_i_i:S-Sn +mp-8781,SnS,-4.7163088625,-0.6432980016000001,0.0458857587,-0.061860035,GGA,Aem2,AB_oC8_39_c_c:S-Sn,4.0,AB_oC8_39_c_c:S-Sn +mp-554134,SnS,-4.7140345225,-0.6410236616,0.0481600987,-0.059585695,GGA,Aem2,AB_oC8_39_c_c:S-Sn,4.0,AB_oC8_39_c_c:S-Sn +mp-2231,SnS,-4.7621946212,-0.6891837603000001,0.0,-0.1077457937,GGA,Pnma,AB_oP8_62_c_c:S-Sn,8.0,AB_oP8_62_c_c:S-Sn +mp-1379,SnS,-4.69998704,-0.6269761791,0.0622075813,-0.0455382125,GGA,Cmcm,AB_oC8_63_c_c:S-Sn,4.0,AB_oC8_63_c_c:S-Sn +mp-559676,SnS,-4.747517655,-0.6745067941,0.0146769662,-0.0930688275,GGA,Cmcm,AB_oC8_63_c_c:S-Sn,4.0,AB_oC8_63_c_c:S-Sn +mp-10013,SnS,-4.48380825,-0.4107973891,0.2783863712,0.1706405775,GGA,F-43m,AB_cF8_216_a_c:S-Sn,2.0,AB_cF8_216_a_c:S-Sn +mp-1876,SnS,-4.72299832,-0.6499874591,0.0391963012,-0.0685494925,GGA,Fm-3m,AB_cF8_225_a_b:S-Sn,2.0,AB_cF8_225_a_b:S-Sn +mp-1509,Sn2S3,-4.783424222,-0.6977255599000001,0.0039964705,0.0039964705,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Sn,20.0,A3B2_oP20_62_3c_2c:S-Sn +mp-1218931,SnPtS,-5.4639286367,-0.724876956,0.0,-0.0848489679,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-S-Sn,12.0,ABC_cP12_198_a_a_a:Pt-S-Sn +mp-1187038,Sn3S,-4.069098505,-0.027807147,0.3167847331,0.3167847331,GGA,Fm-3m,AB3_cF16_225_a_bc:S-Sn,4.0,AB3_cF16_225_a_bc:S-Sn +mp-37045,Ce2SmS4,-7.04127243,-2.3083347282,0.0250877709,0.0250877709,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-S-Sm,14.0,A2B4C_tI28_122_d_e_a:Ce-S-Sm +mp-34009,Ce(SmS2)2,-6.8616521386,-2.3022148682,0.0450766489,0.0450766489,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ce-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Ce-S-Sm +mp-1226571,CeSm3S4,-6.864977725,-2.2856468466,0.0,-0.0055848975,GGA,C2/m,AB4C3_mC16_12_a_2i_di:Ce-S-Sm,8.0,"Invalid WP multiplicities - AB4C3_mC16_12_a_3i_c2i:Ce-S-Sm, expected CeSm5S6 to be CeSm3S4" +mp-1204597,La4(TmS2)11,-6.7173086878,-2.3935217919,0.0259026021,0.0259026021,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:La-S-Tm,37.0,A4B22C11_mC74_12_2i_11i_a5i:La-S-Tm +mp-1106294,La(TmS2)3,-6.738056498,-2.4198352404,0.0060517397,0.0060517397,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:La-S-Tm,20.0,AB6C3_mP20_11_e_6e_3e:La-S-Tm +mp-1199053,LaTmS3,-6.8379867402,-2.4737483145,0.0,-0.0290698549,GGA,P2_1/m,AB3C_mP40_11_4e_12e_4e:La-S-Tm,40.0,AB3C_mP40_11_4e_12e_4e:La-S-Tm +mp-556841,LaTmS3,-6.8126663853,-2.4484279595,0.0253203549,-0.0037495,GGA,Pnma,AB3C_oP60_62_3c_9c_3c:La-S-Tm,60.0,"Invalid WP multiplicities - AB3C_oP60_62_10c_34c_10c:La-S-Tm, expected La5Tm5S17 to be LaTmS3" +mp-1222701,LaTmS2,-6.7275147025,-2.306329137,0.0,-0.01031128,GGA,R-3m,AB2C_hR12_166_a_c_b:La-S-Tm,4.0,AB2C_hR12_166_a_c_b:La-S-Tm +mp-1226595,CeTm4S7,-6.7045202525,-2.3052219261,0.0593452169,0.0593452169,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Ce-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Ce-S-Tm +mp-1188911,Ce(TmS2)3,-6.7865258505,-2.3685963879,0.0068638805,0.0068638805,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Ce-S-Tm,20.0,AB6C3_mP20_11_e_6e_3e:Ce-S-Tm +mp-1204968,Ce4(TmS2)11,-6.7673063,-2.3357267501,0.0358539402,0.0358539402,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Ce-S-Tm,37.0,A4B22C11_mC74_12_2i_11i_a5i:Ce-S-Tm +mp-541836,CeTmS3,-6.9365497268,-2.372894891,0.0,-0.0176756251,GGA,P2_1/m,AB3C_mP40_11_4e_12e_4e:Ce-S-Tm,40.0,"Invalid WP multiplicities - AB3C_mP40_11_7e_23e_8e:Ce-S-Tm, expected Ce7Tm8S23 to be CeTmS3" +mp-683985,CeTmS3,-6.90507355,-2.3414187142,0.0314761768,0.0138005517,GGA,Pnma,AB3C_oP60_62_3c_9c_3c:Ce-S-Tm,60.0,"Invalid WP multiplicities - AB3C_oP60_62_10c_32c_8c:Ce-S-Tm, expected Ce5(TmS4)4 to be CeTmS3" +mp-1196179,Tm2CrS4,-6.8963386289,-1.8748360883,0.0604075203,0.0604075203,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Cr-S-Tm,56.0,AB4C2_oP56_29_2a_8a_4a:Cr-S-Tm +mp-1208101,Tm3CrS6,-6.8024163277,-2.0124910336,0.0195147554,0.0195147554,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-S-Tm,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-S-Tm +mp-1216704,Tm4CrS7,-6.7584842258,-2.0491893732,0.0705467509,0.0705467509,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cr-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Cr-S-Tm +mp-1103493,Tm(Mo3S4)2,-7.994607838,-1.1518521701,0.0254965117,0.0254965117,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Tm,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Tm +mp-684004,YbCeS3,-6.136936224,-2.1605268169,0.0733624775,0.0733624775,GGA,Pnma,AB3C_oP60_62_3c_9c_3c:Ce-S-Yb,,"Invalid WP multiplicities - AB3C_oP60_62_7c_34c_8c:Ce-S-Yb, expected Yb8Ce7S34 to be YbCeS3" +mp-1079021,YbCeS3,-6.168615331,-2.1922059239,0.0416833705,0.0416833705,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ce-S-Yb,,AB3C_oC20_63_c_cf_a:Ce-S-Yb +mp-676762,Yb(CeS2)2,-6.6341729093,-2.3553749011000003,0.0216769579,0.0216769579,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-S-Yb,,A2B4C_tI28_122_d_e_a:Ce-S-Yb +mp-563013,Yb3CeS6,-5.5262618305,-1.9892005109,0.1511540343,0.1511540343,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Ce-S-Yb,,"Invalid WP multiplicities - AB6C3_mP20_11_e_11e_4e:Ce-S-Yb, expected Yb4CeS11 to be Yb3CeS6" +mp-1189506,Ce5Ge3C,-6.4696808744,-0.6071036708,0.0,-0.0176491548,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Ce-Ge,18.0,AB5C3_hP18_193_b_dg_g:C-Ce-Ge +mp-1207710,Yb11(Mn2C3)6,-7.2214126712,-0.0751723432,0.0326628185,0.0326628185,GGA,I-43m,A18B12C11_cI82_217_eg_g_acd:C-Mn-Yb,,A18B12C11_cI82_217_eg_g_acd:C-Mn-Yb +mp-1208332,TbHfF7,-7.4321727539,-4.3241829869,0.0,-0.045691488,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Tb,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Tb +mp-5858,CdPtF6,-4.3173722987,-2.0095101881,0.0,-0.0978364956,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Pt,8.0,AB6C_hR24_148_a_f_b:Cd-F-Pt +mp-1209557,PrHf2F11,-7.5184691729,-4.2526439973,0.0,-0.013630553,GGA,Ibam,A11B2C_oI56_72_cj2k_j_b:F-Hf-Pr,28.0,A11B2C_oI56_72_cj2k_j_b:F-Hf-Pr +mp-1209572,PrHfF7,-7.4254315261,-4.3011595753,0.0,-0.0131179292,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Pr,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Pr +mp-1203382,Sn2W3Cl14,-5.1621369766,-1.3319765745,0.0,-0.0158053578,GGA,P6_3,A14B2C3_hP38_173_ab4c_ab_c:Cl-Sn-W,38.0,A14B2C3_hP38_173_ab4c_ab_c:Cl-Sn-W +mp-1188271,Er6IrI10,-4.5051018618,-1.50637183,4.38583e-05,4.38583e-05,GGA,P-1,A6B10C_aP17_2_3i_5i_a:Er-I-Ir,17.0,A6B10C_aP17_2_3i_5i_a:Er-I-Ir +mp-1184756,IrI,-4.4330443075,0.7228559575,1.0421588833,1.0421588833,GGA,P6_3mc,AB_hP4_186_b_b:I-Ir,4.0,AB_hP4_186_b_b:I-Ir +mp-1025442,IrI3,-3.7935876962,-0.4789543887,0.0,-0.4789543887,GGA,C2/m,A3B_mC16_12_ij_g:I-Ir,8.0,A3B_mC16_12_ij_g:I-Ir +mp-1105808,Er7IrI12,-4.4427554315,-1.518112329,0.0,-0.0156422983,GGA,R-3,A7B12C_hR60_148_af_2f_b:Er-I-Ir,20.0,A7B12C_hR60_148_af_2f_b:Er-I-Ir +mp-29052,Cd(W3Br7)2,-5.7432867365,-0.9616644623,0.0,-0.0011651311,GGA,Pn-3,A14BC6_cP84_201_e2h_b_h:Br-Cd-W,84.0,A14BC6_cP84_201_e2h_b_h:Br-Cd-W +mp-569823,YInAg2,-4.0990450025,-0.37822829,0.0,-0.055816756,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Y,4.0,A2BC_cF16_225_c_a_b:Ag-In-Y +mp-974062,KTm,-2.24249487,0.5506223152,0.5506223152,0.5506223152,GGA,P-6m2,AB_hP2_187_a_d:K-Tm,2.0,AB_hP2_187_a_d:K-Tm +mp-1185140,K3Tm,-1.3716472912,0.5801107748000001,0.5801107748000001,0.5801107748000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Tm,8.0,A3B_hP8_194_h_c:K-Tm +mp-974631,K3Tm,-1.367530835,0.5842272311,0.5842272311,0.5842272311,GGA,Pm-3m,A3B_cP4_221_c_a:K-Tm,4.0,A3B_cP4_221_c_a:K-Tm +mp-1185079,K3Tm,-1.3682675825,0.5834904836,0.5834904836,0.5834904836,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Tm,4.0,A3B_cF16_225_ac_b:K-Tm +mp-1211295,KTmBr3,-3.923228509,-1.8741646369,0.1778132819,0.1778132819,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-K-Tm,20.0,A3BC_oP20_62_cd_c_a:Br-K-Tm +mp-1093955,YHg2Au,-1.5249134400000002,1.0620150208,1.5662444231,1.5662444231,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Hg-Y,4.0,AB2C_oI8_71_a_e_b:Au-Hg-Y +mp-1097154,Y2HgAu,-2.4736024375,1.6540237104000002,2.3550025975,2.3550025975,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Au-Hg-Y +mp-1096752,LiY2Pd,-3.1294522175,1.8759845083,2.340095812,2.340095812,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Li-Pd-Y +mp-1093560,LiYPd2,-3.58220954,1.10157986,1.8173326326,1.8173326326,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Li-Pd-Y +mp-1185248,LiYPd2,-5.3638064425,-0.6800170425000001,0.0357357301,0.0357357301,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Y +mp-979917,DyYRh2,-7.3101266675,-0.8596582442,0.0085538775,0.0085538775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Dy-Rh-Y +mp-30961,Ca7Tl3N2,-3.837770295,-0.6877604242,0.0,-0.0271059392,GGA,Cmmm,A7B2C3_oC24_65_a2gh_g_ch:Ca-N-Tl,12.0,"Invalid WP multiplicities - A7B2C3_oC24_65_a4gh_g_ch:Ca-N-Tl, expected Ca11Tl3N2 to be Ca7Tl3N2" +mp-10554,Ca3TlN,-4.045069326,-0.7018817837,0.0235100393,0.0235100393,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-N-Tl,5.0,A3BC_cP5_221_c_b_a:Ca-N-Tl +mp-1207922,U3TaSb5,-7.7506004978,-0.3753767356,0.0,-0.0208829023,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Sb-Ta-U,18.0,A5BC3_hP18_193_dg_b_g:Sb-Ta-U +mp-24288,LuH2,-4.56413881,-0.79533794,0.0,-0.1491943374,GGA,Fm-3m,A2B_cF12_225_c_a:H-Lu,3.0,A2B_cF12_225_c_a:H-Lu +mp-865610,LuH3,-4.31190943,-0.6371272663,0.0897842867,-0.0406238112,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Lu,4.0,A3B_tI8_139_ad_b:H-Lu +mp-1191245,LuH3,-4.4016937167,-0.7269115529,0.0,-0.1304080979,GGA,P-3c1,A3B_hP24_165_adg_f:H-Lu,24.0,A3B_hP24_165_adg_f:H-Lu +mp-1206843,LuHSe,-5.3985268833,-1.5953308691,0.0,-0.0876547504,GGA,P-6m2,ABC_hP3_187_a_c_f:H-Lu-Se,3.0,ABC_hP3_187_a_c_f:H-Lu-Se +mp-13909,K4Sn23,-3.7005765728,-0.1205118153,0.0,-0.0101290858,GGA,Pm-3n,A4B23_cP54_223_ac_dik:K-Sn,54.0,"Invalid WP multiplicities - A4B23_cP54_223_ac_d2ik:K-Sn, expected K4Sn31 to be K4Sn23" +mp-571066,K6Sn25,-3.5926513097,-0.1442096949,0.0054246049,0.0054246049,GGA,P4_332,A6B25_cP124_212_acd_2cd3e:K-Sn,124.0,"Invalid WP multiplicities - A6B25_cP124_212_4a6c6d_15c10d55e:K-Sn, expected K17Sn195 to be K6Sn25" +mp-973614,K3Sn,-1.87564303,-0.040450856,0.1052907573,0.1052907573,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Sn,4.0,A3B_cF16_225_ac_b:K-Sn +mp-1185093,K3Os,-2.2920223375,1.3476187302,1.3476187302,1.3476187302,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Os,4.0,A3B_tI8_139_ad_b:K-Os +mp-1184896,K3Os,-2.2931144725,1.3465265952,1.3465265952,1.3465265952,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Os,4.0,A3B_cF16_225_ac_b:K-Os +mp-1103373,KSn2,-3.20187499,-0.1586941043,0.073309747,0.073309747,GGA,P6_3/mmc,AB2_hP12_194_f_ah:K-Sn,12.0,AB2_hP12_194_f_ah:K-Sn +mp-542374,KSn,-2.8514686275,-0.2914832265,0.0,-0.1305337089,GGA,I4_1/acd,AB_tI64_142_ef_g:K-Sn,32.0,"Invalid WP multiplicities - AB_tI64_142_6e5f_g:K-Sn, expected K11Sn2 to be KSn" +mp-1185151,KSn3,-3.4133252775000003,-0.1285466495,0.0572991609,0.0572991609,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Sn,8.0,AB3_hP8_194_c_h:K-Sn +mp-570900,K4Sn9,-3.3403718308,-0.2228531782,0.0,-0.0237885647,GGA,P2_1/c,A4B9_mP52_14_4e_9e:K-Sn,52.0,"Invalid WP multiplicities - A4B9_mP52_14_14e_35e:K-Sn, expected K2Sn5 to be K4Sn9" +mp-631322,KSnOs,-4.3414305267,1.1076822173,1.3020043683,1.3020043683,GGA,F-43m,ABC_cF12_216_a_c_b:K-Os-Sn,3.0,ABC_cF12_216_a_c_b:K-Os-Sn +mp-1021516,K2Sn,-2.0007485833,0.076041333,0.270363484,0.270363484,GGA,Fm-3m,A2B_cF12_225_c_a:K-Sn,3.0,A2B_cF12_225_c_a:K-Sn +mp-8927,TaCuN2,-8.8768098325,-0.719316295,0.1284119892,0.1284119892,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-N-Ta,4.0,AB2C_hR12_166_a_c_b:Cu-N-Ta +mp-999135,TaCuN2,-8.61741416,-0.4599206225,0.3878076617,0.3878076617,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-N-Ta,4.0,AB2C_hR12_166_a_c_b:Cu-N-Ta +mp-1200538,Tb2B6Os,-7.3636965408,-0.6334242903,0.0,-0.0539666336,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-Tb,36.0,A6BC2_oP36_55_6h_g_2g:B-Os-Tb +mp-1189495,TbB2Os,-7.8596521862,-0.5545229183,0.0,-0.0084287883,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Tb,16.0,A2BC_oP16_62_d_c_c:B-Os-Tb +mp-1192125,TbB4Os,-7.6705720658,-0.5740219636,0.0,-0.0350871617,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Os-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Os-Tb +mp-1009695,CaB2,-5.2551787767,-0.1337176361,0.1920297425,0.1920297425,GGA,P6/mmm,A2B_hP3_191_c_b:B-Ca,3.0,A2B_hP3_191_c_b:B-Ca +mp-865,CaB6,-6.4195144357,-0.4078072207,0.0,-0.1285951819,GGA,Pm-3m,A6B_cP7_221_e_b:B-Ca,7.0,A6B_cP7_221_e_b:B-Ca +mp-542455,Ca2B5Os3,-7.477094031,-0.3680679406,0.0,-0.1237574066,GGA,C2,A5B2C3_mC20_5_a2c_c_bc:B-Ca-Os,10.0,A5B2C3_mC20_5_a2c_c_bc:B-Ca-Os +mp-1213975,CaB4,-6.135530247,-0.3908968543,0.0,-0.0102767817,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Ca,20.0,A4B_tP20_127_egi_h:B-Ca +mp-27393,AlPd5I2,-4.6108380988,-0.5368734013,0.0,-0.0003425783,GGA,I4/mmm,AB2C5_tI16_139_a_e_bg:Al-I-Pd,8.0,AB2C5_tI16_139_a_e_bg:Al-I-Pd +mp-1103146,TmBPt2,-6.8371226708,-1.0127492123,0.0,-0.0848314838,GGA,P6_222,AB2C_hP12_180_d_i_c:B-Pt-Tm,12.0,AB2C_hP12_180_d_i_c:B-Pt-Tm +mp-1199103,U(Al10Cr)2,-4.7344561289,-0.1471073659,0.0,-0.023808726,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-U,46.0,A20B2C_cF184_227_cfg_d_a:Al-Cr-U +mp-1204284,U(Al10Cr)2,-4.4822317487,0.1051170143,0.2522243802,0.2284156542,GGA,Fd-3m,A20B2C_cF184_227_dfg_c_a:Al-Cr-U,46.0,A20B2C_cF184_227_dfg_c_a:Al-Cr-U +mp-1201364,U6Al43Cr4,-5.2359388409,-0.1902707158,0.0,-0.0306013863,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-U,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-U +mp-5544,U(Al2Cr)4,-6.2613009723,-0.1175927777,0.0461689425,0.0461689425,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-U,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-U +mp-865664,TiRe2W,-11.780205865,-0.3445367108,0.0,-0.1129665236,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Re-Ti-W,4.0,A2BC_cF16_225_c_a_b:Re-Ti-W +mp-1219494,ReW4,-12.81345076,0.041958861,0.041958861,0.041958861,GGA,Fmmm,AB4_oF20_69_a_2g:Re-W,5.0,"Invalid WP multiplicities - AB4_oF20_69_a_3g:Re-W, expected ReW6 to be ReW4" +mp-1219491,ReW3,-12.7593933525,0.0703361162,0.0703361162,0.0703361162,GGA,Cmmm,AB3_oC8_65_b_ck:Re-W,4.0,"Invalid WP multiplicities - AB3_oC8_65_b_c2k:Re-W, expected ReW5 to be ReW3" +mp-1206445,ReW3,-12.8105767025,0.0191527662,0.0191527662,0.0191527662,GGA,Pm-3n,AB3_cP8_223_a_c:Re-W,8.0,AB3_cP8_223_a_c:Re-W +mp-1102921,Re2W,-12.4220028033,0.1937253967,0.1937253967,0.1937253967,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-W,12.0,A2B_hP12_194_ah_f:Re-W +mp-974416,Re3W,-12.4454257225,0.1275022238,0.1275022238,0.1275022238,GGA,I4/mmm,A3B_tI8_139_ad_b:Re-W,4.0,A3B_tI8_139_ad_b:Re-W +mp-974408,Re3W,-12.4425038475,0.1304240988,0.1304240988,0.1304240988,GGA,P6_3/mmc,A3B_hP8_194_h_c:Re-W,8.0,A3B_hP8_194_h_c:Re-W +mp-1095756,TiReW2,-6.688785865,4.8752840504,5.0742534525,5.0742534525,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Ti-W,4.0,ABC2_oI8_71_a_b_e:Re-Ti-W +mp-1219490,ReW2,-12.7222502667,0.0646789483,0.0646789483,0.0646789483,GGA,Fmmm,AB2_oF12_69_a_g:Re-W,3.0,AB2_oF12_69_a_g:Re-W +mp-686487,Th2(Mo3S4)5,-8.1794190784,-1.1458659571,0.0097177076,0.0097177076,GGA,P-1,A15B20C2_aP148_2_30i_40i_bc3i:Mo-S-Th,148.0,"Invalid WP multiplicities - A15B20C2_aP148_2_60i_80i_bc4i:Mo-S-Th, expected Th(Mo3S4)4 to be Th2(Mo3S4)5" +mp-1217524,Th2(Mo3S4)5,-8.179184422,-1.1456313007,0.0099523639,0.0099523639,GGA,P-1,A15B20C2_aP74_2_15i_20i_2i:Mo-S-Th,74.0,"Invalid WP multiplicities - A15B20C2_aP74_2_30i_39i_3i:Mo-S-Th, expected ThMo10S13 to be Th2(Mo3S4)5" +mp-1188365,PrPd3S4,-5.7688087569,-1.1605149253,0.0,-0.0415398407,GGA,Pm-3n,A3BC4_cP16_223_c_a_e:Pd-Pr-S,16.0,A3BC4_cP16_223_c_a_e:Pd-Pr-S +mp-1203122,Ce2ZrS5,-7.3123360994,-2.1753200651,0.0,-0.0266767081,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ce-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Ce-S-Zr +mp-505309,Si2P2Pt,-5.8593495557,-0.3096746771,0.1244351029,0.1244351029,GGA,P2_1,A2BC2_mP40_4_8a_4a_8a:P-Pt-Si,40.0,A2BC2_mP40_4_8a_4a_8a:P-Pt-Si +mp-29157,Si3P2Pt,-5.9008509283,-0.3719021911,0.0,-0.0304321233,GGA,P1,A2BC3_aP12_1_4a_2a_6a:P-Pt-Si,12.0,A2BC3_aP12_1_4a_2a_6a:P-Pt-Si +mp-2297,NdC2,-7.8611742967,-0.1193481575,0.0191727887,0.0191727887,GGA,I4/mmm,A2B_tI6_139_e_a:C-Nd,3.0,A2B_tI6_139_e_a:C-Nd +mp-1800,Nd2C3,-7.610683403999999,-0.1662251355,0.0,-0.0588117937,GGA,I-43d,A3B2_cI40_220_d_c:C-Nd,20.0,A3B2_cI40_220_d_c:C-Nd +mp-603912,Nd2MoC2,-7.9538696305,-0.1860144385,0.0,-0.069137172,GGA,P4_2/mnm,A2BC2_tP20_136_ce_f_j:C-Mo-Nd,20.0,"Invalid WP multiplicities - A2BC2_tP20_136_3c2e_f_j:C-Mo-Nd, expected Nd2MoC5 to be Nd2MoC2" +mp-1206138,Yb3PbC,-3.620573064,-0.1085455835,0.2612659678,0.2612659678,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Yb,,ABC3_cP5_221_b_a_c:C-Pb-Yb +mp-1217568,TbDyC4,-7.8815228833,-0.188887065,0.0498292613,0.0498292613,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-Dy-Tb,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-Dy-Tb, expected TbDyC8 to be TbDyC4" +mp-1025175,Lu2Cr2C3,-8.3558273,-0.3509712346,0.0,-0.0813576398,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Lu,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Lu +mp-10039,Pr3AlC,-5.609920974,-0.1465292565,0.0549004087,0.0549004087,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Pr,5.0,ABC3_cP5_221_a_b_c:Al-C-Pr +mp-772916,Ba3(LaI6)2,-3.8483822026,-1.8890095421,0.0940465799,0.0940465799,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-I-La,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_7e:Ba-I-La, expected Ba9La7I45 to be Ba3(LaI6)2" +mp-30111,BaLaI4,-4.0285171383,-1.9037758975,0.0,-0.0051667121,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ba-I-La,12.0,AB4C_mC24_15_e_2f_e:Ba-I-La +mp-772034,Ba3LaI9,-3.8471725377,-2.004616455,0.0135440863,0.0135440863,GGA,Pc,A3B9C_mP52_7_6a_18a_2a:Ba-I-La,52.0,"Invalid WP multiplicities - A3B9C_mP52_7_12a_34a_4a:Ba-I-La, expected Ba6La2I17 to be Ba3LaI9" +mp-772221,Ba5La3I19,-3.8488760617,-1.9082517407,0.0804384238,0.0804384238,GGA,P-1,A5B19C3_aP54_2_5i_ad18i_3i:Ba-I-La,54.0,"Invalid WP multiplicities - A5B19C3_aP54_2_9i_ad35i_5i:Ba-I-La, expected Ba9La5I36 to be Ba5La3I19" +mp-851110,Ba9La5I33,-3.8878121497,-1.9607504574,0.0320153975,0.0320153975,GGA,P-1,A9B33C5_aP94_2_9i_33i_5i:Ba-I-La,94.0,"Invalid WP multiplicities - A9B33C5_aP94_2_17i_65i_9i:Ba-I-La, expected Ba17La9I65 to be Ba9La5I33" +mp-772140,Ba2LaI7,-3.8568191072,-1.9480669638,0.0502010733,0.0502010733,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-I-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-I-La, expected Ba7(LaI9)3 to be Ba2LaI7" +mp-772141,Ba2LaI7,-3.8816449467,-1.9728928033,0.0253752338,0.0253752338,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-I-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-I-La, expected Ba5LaI25 to be Ba2LaI7" +mp-772158,Ba2LaI7,-3.8527122112,-1.9439600677,0.0543079693,0.0543079693,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-I-La,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_27e_e:Ba-I-La, expected Ba5LaI27 to be Ba2LaI7" +mp-755770,Ba2LaI7,-3.843046945,-1.9342948015,0.0639732355,0.0639732355,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Ba-I-La,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e11f_e:Ba-I-La, expected Ba2LaI24 to be Ba2LaI7" +mp-756745,BaLaI5,-3.9503716479,-1.9186839629,0.0426408518,0.0426408518,GGA,P1,AB5C_aP14_1_2a_10a_2a:Ba-I-La,14.0,AB5C_aP14_1_2a_10a_2a:Ba-I-La +mp-772114,BaLaI5,-3.9248986825,-1.8932109975,0.0681138171,0.0681138171,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-I-La,28.0,"Invalid WP multiplicities - AB5C_mP28_4_3a_19a_3a:Ba-I-La, expected Ba3La3I19 to be BaLaI5" +mp-755350,BaLaI5,-3.9670497693,-1.9353620843,0.0259627304,0.0259627304,GGA,P2_1/m,AB5C_mP14_11_e_5e_e:Ba-I-La,14.0,"Invalid WP multiplicities - AB5C_mP14_11_e_9e_e:Ba-I-La, expected BaLaI9 to be BaLaI5" +mp-770314,BaLaI5,-3.9302295029,-1.8985418179,0.0627829968,0.0627829968,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ba-I-La,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_19e_e:Ba-I-La, expected BaLaI19 to be BaLaI5" +mp-772080,BaLaI5,-3.9157528773,-1.8840651923,0.0772596223,0.0772596223,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-I-La,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_5e:Ba-I-La, expected Ba7La5I39 to be BaLaI5" +mp-772219,BaLaI5,-3.9125572707,-1.8808695857,0.0804552289,0.0804552289,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-I-La,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_3e:Ba-I-La, expected Ba7(LaI13)3 to be BaLaI5" +mp-754925,BaLaI5,-3.9344363114,-1.9027486264,0.0585761882,0.0585761882,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ba-I-La,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_17e_e:Ba-I-La, expected BaLaI17 to be BaLaI5" +mp-756509,BaLaI5,-3.9238231529,-1.8921354679,0.0691893468,0.0691893468,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-I-La,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-I-La, expected BaLaI16 to be BaLaI5" +mp-1178521,BaLaI5,-3.949998285,-1.9183106,0.0430142146,0.0430142146,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-I-La,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_e:Ba-I-La, expected BaLaI16 to be BaLaI5" +mp-754198,Ba(LaI4)2,-3.99312711,-1.8496798418,0.0780602252,0.0780602252,GGA,C2/m,AB8C2_mC22_12_a_gij_h:Ba-I-La,11.0,"Invalid WP multiplicities - AB8C2_mC22_12_a_g2i2j_h:Ba-I-La, expected Ba(LaI7)2 to be Ba(LaI4)2" +mp-1198690,MoI2,-5.2743436328,-0.6768826961000001,0.0,-0.4131559472,GGA,Cmce,A2B_oC72_64_df2g_d2f:I-Mo,36.0,A2B_oC72_64_df2g_d2f:I-Mo +mp-569225,Mo6PbI14,-4.9797786556,-0.7219845304,0.0,-0.0053930262,GGA,Pn-3,A14B6C_cP84_201_e2h_h_b:I-Mo-Pb,84.0,"Invalid WP multiplicities - A14B6C_cP84_201_7e31h_h_b:I-Mo-Pb, expected Mo6PbI200 to be Mo6PbI14" +mp-975905,Mo3I,-7.6438382775,0.8587408925000001,1.1125719035,1.1125719035,GGA,Fm-3m,AB3_cF16_225_a_bc:I-Mo,4.0,AB3_cF16_225_a_bc:I-Mo +mp-864733,MoI3,-4.1131298825,-0.2966925925,0.2109694296,0.2109694296,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Mo,8.0,A3B_hP8_194_h_c:I-Mo +mp-976783,Ge3F,-4.4170248375,-0.4718842044,0.4249408156,0.4249408156,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Ge,4.0,AB3_cF16_225_a_bc:F-Ge +mp-1190647,Ge3F8,-5.1960308591,-2.5450385586,0.0,-0.0012034239,GGA,P2_1/c,A8B3_mP22_14_4e_ae:F-Ge,22.0,A8B3_mP22_14_4e_ae:F-Ge +mp-1208140,Tl3GeF7,-4.7134515309000005,-2.432423343,0.0099731634,0.0099731634,GGA,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Ge-Tl,22.0,A7BC3_tP22_127_ahk_c_bg:F-Ge-Tl +mp-9816,GeF4,-5.143736682,-2.689947937,0.0,-0.8235863273,GGA,I-43m,A4B_cI10_217_c_a:F-Ge,5.0,A4B_cI10_217_c_a:F-Ge +mp-1208162,Tl2GeF6,-4.8611036322,-2.5480827485,0.0,-0.0679696659,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ge-Tl,9.0,A6BC2_hP9_164_i_a_d:F-Ge-Tl +mp-29500,Ge7F16,-5.2062078024,-2.4694748257,0.0028657657,0.0028657657,GGA,Cc,A16B7_mC92_9_16a_7a:F-Ge,46.0,A16B7_mC92_9_16a_7a:F-Ge +mp-998712,TlGeF3,-4.8250328840000005,-2.2810113032,0.027987879,0.0122631705,GGA,P1,A3BC_aP5_1_3a_a_a:F-Ge-Tl,5.0,A3BC_aP5_1_3a_a_a:F-Ge-Tl +mp-998711,TlGeF3,-4.853020763,-2.3089991822,0.0,-0.0157247085,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:F-Ge-Tl,10.0,"Invalid WP multiplicities - A3BC_mP10_11_e2f_e_e:F-Ge-Tl, expected TlGeF5 to be TlGeF3" +mp-7595,GeF2,-5.2068619833,-2.3915333867,0.0,-0.0249533454,GGA,P2_12_12_1,A2B_oP12_19_2a_a:F-Ge,12.0,A2B_oP12_19_2a_a:F-Ge +mp-1095292,GeF2,-5.1897699067,-2.37444131,0.0170920767,-0.0078612687,GGA,Pnma,A2B_oP12_62_ac_c:F-Ge,12.0,A2B_oP12_62_ac_c:F-Ge +mp-27342,Ge5F12,-5.2098541274,-2.5008607812,0.0,-0.0069388654,GGA,P2_1/c,A12B5_mP34_14_6e_a2e:F-Ge,34.0,"Invalid WP multiplicities - A12B5_mP34_14_7e_a2e:F-Ge, expected Ge5F14 to be Ge5F12" +mp-1186320,NpHgO3,-7.999735088,-2.381429852,0.1609085203,0.1609085203,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Hg-Np-O,5.0,ABC3_cP5_221_a_b_c:Hg-Np-O +mp-1186156,Np3Hg,-9.23758193,0.5491729222,0.5491729222,0.5491729222,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-Np,4.0,AB3_tI8_139_a_bd:Hg-Np +mp-1247064,Ca2OsN3,-7.2991367271,-0.5911280662,0.0842864208,0.0842864208,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-Os,24.0,A2B3C_oC48_64_2f_e2f_f:Ca-N-Os +mp-1245383,Ca7OsN6,-6.1454414843,-0.7679031886000001,0.0723935269,0.0723935269,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-Os,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-Os +mp-1029899,Ca5(OsN3)2,-7.0791611338,-0.7328762254000001,0.0,-0.0198610173,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Os,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Os +mp-1245381,Ca11(OsN5)2,-6.0702174857,-0.5101617122000001,0.3098963602,0.3098963602,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Os,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Os +mp-1246504,Ca4OsN4,-6.6263806039,-0.7824087539,0.0061669849,0.0061669849,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Os,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Os +mp-1246123,Ca5(OsN2)2,-6.6482533268,-0.6638247850000001,0.0830445961,0.0830445961,GGA,P4/ncc,A5B4C2_tP44_130_cg_g_f:Ca-N-Os,44.0,A5B4C2_tP44_130_cg_g_f:Ca-N-Os +mp-1247522,Ca3Os3N5,-7.8587644973,-0.4604575377,0.1104520843,0.1104520843,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Os,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Os +mp-1245624,Ca3(OsN2)2,-7.3214894339,-0.452876745,0.2001738022,0.2001738022,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Os,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Os +mp-1245620,Ca3(OsN2)2,-7.389210695,-0.5205980061000001,0.1324525411,0.1324525411,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Os,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Os +mp-1245866,CaOsN2,-7.8084246817,-0.3319353917,0.2249443383,0.2249443383,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Os,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-Os +mp-1245888,CaOsN2,-7.80890845,-0.33241916,0.22446057,0.22446057,GGA,R-3m,AB2C_hR12_166_a_c_b:Ca-N-Os,4.0,AB2C_hR12_166_a_c_b:Ca-N-Os +mp-1184731,HPb,-3.0695657475,0.48312081,0.48312081,0.48312081,GGA,P6_3mc,AB_hP4_186_b_b:H-Pb,4.0,AB_hP4_186_b_b:H-Pb +mp-973786,H3Pb,-2.6945923625,0.7781139387,0.7781139387,0.7781139387,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Pb,4.0,A3B_cF16_225_ac_b:H-Pb +mp-1207559,Yb3H2Pb,-3.1097497333,-0.5902624,0.0450490225,0.0450490225,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:H-Pb-Yb,,A2BC3_oC24_63_e_c_cg:H-Pb-Yb +mp-1206600,K(AsRu)2,-6.195440028,-0.3999518606,0.0,-0.0994010355,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-K-Ru,5.0,A2BC2_tI10_139_e_a_d:As-K-Ru +mp-29403,GaCuI4,-2.8715098450000003,-0.7013818296000001,0.0,-0.0305074846,GGA,I-4,ABC4_tI12_82_a_c_g:Cu-Ga-I,6.0,ABC4_tI12_82_a_c_g:Cu-Ga-I +mp-637209,AsN9,-7.6485794105,0.3201778625,0.3201778625,0.3201778625,GGA,P2_1/c,AB9_mP40_14_e_9e:As-N,40.0,"Invalid WP multiplicities - AB9_mP40_14_e_36e:As-N, expected AsN36 to be AsN9" +mp-1013709,Ba3AsN,-3.459798958,0.290708672,1.1172157441,1.1172157441,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ba-N,5.0,AB3C_cP5_221_b_c_a:As-Ba-N +mp-1013734,Ba3AsN,-4.495886798,-0.745379168,0.0811279041,0.0811279041,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ba-N,5.0,AB3C_cP5_221_a_c_b:As-Ba-N +mp-1191300,Tb3OsO7,-8.6229279468,-3.1904473369,0.0,-0.0251681211,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Os-Tb,22.0,A7BC3_oC44_63_cgh_a_bg:O-Os-Tb +mp-996,OsO2,-8.38449735,-1.3442490658,0.0,-0.0702923767,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-Os,6.0,A2B_tP6_136_f_a:O-Os +mp-1095264,OsO2,-8.3075332917,-1.2672850075,0.0769640583,0.0066716817,GGA,Pa-3,A2B_cP12_205_c_a:O-Os,12.0,A2B_cP12_205_c_a:O-Os +mp-1187359,TbOsO3,-8.02200867,-1.8816487372,0.7268624563,0.7268624563,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Tb,5.0,A3BC_cP5_221_c_b_a:O-Os-Tb +mp-551905,OsO4,-7.731572482,-1.528748027,0.0,-0.7221985875,GGA,C2,A4B_mC10_5_2c_a:O-Os,5.0,"Invalid WP multiplicities - A4B_mC10_5_4c_a:O-Os, expected OsO8 to be OsO4" +mp-22886,UBi,-7.399756375,0.166193195,0.166193195,0.166193195,GGA,Fm-3m,AB_cF8_225_a_b:Bi-U,2.0,AB_cF8_225_a_b:Bi-U +mp-980664,UBiSb,-6.5968545167,-0.17655439,0.0453107575,0.0453107575,GGA,P4/nmm,ABC_tP6_129_a_c_c:Bi-Sb-U,6.0,ABC_tP6_129_a_c_c:Bi-Sb-U +mp-569858,UBi2,-6.31367604,0.0104533833,0.0104533833,0.0104533833,GGA,P4/nmm,A2B_tP6_129_ac_c:Bi-U,6.0,"Invalid WP multiplicities - A2B_tP6_129_2a2c_c:Bi-U, expected UBi4 to be UBi2" +mp-1206587,EuO3,-7.9895912325,-1.7153242491,0.2754072966,0.2754072966,GGA,Pmc2_1,AB3_oP8_26_a_a2b:Eu-O,8.0,AB3_oP8_26_a_a2b:Eu-O +mp-1206483,EuO3,-7.9871311812,-1.7128641978,0.2778673478,0.2778673478,GGA,P6_3/m,AB3_hP8_176_c_h:Eu-O,8.0,AB3_hP8_176_c_h:Eu-O +mp-1184436,EuO3,-7.8545972588,-1.5803302753,0.4104012703,0.4104012703,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-O,8.0,AB3_hP8_194_c_h:Eu-O +mp-1182716,Eu3O4,-10.4556798707,-3.2331426929,0.0,-0.0609884266,GGA,Pnma,A3B4_oP28_62_3c_4c:Eu-O,28.0,A3B4_oP28_62_3c_4c:Eu-O +mp-647924,Eu2O3,-10.2157881533,-3.1449742066,0.0401962664,-0.0857527098,GGA,C2/m,A2B3_mC30_12_3i_a4i:Eu-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_6i_a5i:Eu-O, expected Eu12O11 to be Eu2O3" +mp-1017564,Eu2O3,-10.196440702,-3.1256267553,0.0595437178,-0.0664052585,GGA,P-3m1,A2B3_hP5_164_d_ad:Eu-O,5.0,A2B3_hP5_164_d_ad:Eu-O +mp-1182469,Eu2O3,-10.2559844197,-3.185170473,0.0,-0.1259489763,GGA,Ia-3,A2B3_cI80_206_ad_e:Eu-O,40.0,A2B3_cI80_206_ad_e:Eu-O +mp-1018700,EuO2,-9.2202489483,-2.5034558742,0.1508528533,0.1508528533,GGA,P4/nmm,AB2_tP6_129_c_ac:Eu-O,6.0,AB2_tP6_129_c_ac:Eu-O +mp-1206506,EuO2,-9.3701984467,-2.6534053725,0.000903355,0.000903355,GGA,Fm-3m,AB2_cF12_225_a_c:Eu-O,6.0,AB2_cF12_225_a_c:Eu-O +mp-21394,EuO,-10.741459005,-3.1396137494,0.0,-0.3106138931,GGA,Fm-3m,AB_cF8_225_a_b:Eu-O,2.0,AB_cF8_225_a_b:Eu-O +mp-21787,Eu4Au2O9,-8.4575485108,-2.3178172041,0.0003631334,0.0003631334,GGA,Pbcn,A2B4C9_oP60_60_d_2d_c4d:Au-Eu-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_60_d_2d_c7d:Au-Eu-O, expected Eu4Au2O15 to be Eu4Au2O9" +mp-1184383,EuAuO3,-7.15711418,-1.4829241933,0.3703652527,0.3703652527,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-Eu-O,5.0,ABC3_cP5_221_b_a_c:Au-Eu-O +mp-21389,Eu3AuO6,-8.92312775,-2.5506257833,0.0,-0.0159702619,GGA,P-1,AB3C6_aP10_2_a_bi_3i:Au-Eu-O,10.0,"Invalid WP multiplicities - AB3C6_aP10_2_a_bi_5i:Au-Eu-O, expected Eu3AuO10 to be Eu3AuO6" +mp-979946,DyYCu2,-5.0607303525,-0.2428125292,0.010584685,0.010584685,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Dy-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Dy-Y +mp-1227057,Ce2Mn17C2,-8.9085295286,-0.0476833733,0.0014425244,0.0014425244,GGA,C2/m,A2B2C17_mC42_12_e_i_afh2i2j:C-Ce-Mn,21.0,"Invalid WP multiplicities - A2B2C17_mC42_12_f_i_ae2h3i4j:C-Ce-Mn, expected Ce2Mn29C2 to be Ce2Mn17C2" +mp-1227212,Ce2Mn22C3,-8.9875547033,-0.0573135473,0.0,-0.003385722,GGA,C2/m,A3B2C22_mC54_12_ae_i_bcfi4j:C-Ce-Mn,,"Invalid WP multiplicities - A3B2C22_mC54_12_af_i_bcei8j:C-Ce-Mn, expected Ce2Mn38C3 to be Ce2Mn22C3" +mp-1213886,CeTlF5,-6.0738287684,-3.5233820342,0.0,-0.0612029164,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ce-F-Tl,56.0,AB5C_mP56_14_2e_10e_2e:Ce-F-Tl +mp-979422,YGaAu2,-4.6672106575,-0.6566278735000001,0.0349214671,0.0349214671,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ga-Y,4.0,A2BC_cF16_225_c_a_b:Au-Ga-Y +mp-1095978,Y2GaAu,-3.021811905,1.7869181573,2.5637417388,2.5637417388,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ga-Y,4.0,ABC2_oI8_71_a_b_e:Au-Ga-Y +mp-1215979,YGaAu,-5.0612188183,-0.8050691064000001,0.0,-0.0424323717,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ga-Y,6.0,ABC_mC12_12_i_i_i:Au-Ga-Y +mp-1209272,RbDyI3,-3.4674868895,-1.466002897,0.1252231498,0.1252231498,GGA,Pnma,AB3C_oP20_62_a_cd_c:Dy-I-Rb,20.0,AB3C_oP20_62_a_cd_c:Dy-I-Rb +mp-1206194,RbDyI3,-3.496296397,-1.4948124045,0.0964136423,0.0964136423,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Dy-I-Rb,10.0,AB3C_oC20_63_a_cf_c:Dy-I-Rb +mp-1209369,Rb5(DyI4)3,-3.4492587495,-1.6290873954,0.0214114332,0.0214114332,GGA,P-62m,A3B12C5_hP20_189_g_2fk_cf:Dy-I-Rb,20.0,A3B12C5_hP20_189_g_2fk_cf:Dy-I-Rb +mp-1186841,Rb3Dy,-1.2563912175,0.6307060469,0.6307060469,0.6307060469,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Rb,8.0,AB3_hP8_194_c_h:Dy-Rb +mp-975057,Rb3Dy,-1.2532782975,0.6338189669000001,0.6338189669000001,0.6338189669000001,GGA,Pm-3m,AB3_cP4_221_a_c:Dy-Rb,4.0,AB3_cP4_221_a_c:Dy-Rb +mp-975013,Rb3Dy,-1.245342525,0.6417547394,0.6417547394,0.6417547394,GGA,Fm-3m,AB3_cF16_225_a_bc:Dy-Rb,4.0,AB3_cF16_225_a_bc:Dy-Rb +mp-977370,EuOsO3,-9.311723178,-2.0468361053,0.2299812627,0.2299812627,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Os,5.0,AB3C_cP5_221_a_c_b:Eu-O-Os +mp-561983,Eu3OsO7,-9.7040642845,-2.7381375747,0.0,-0.1177490311,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Eu-O-Os,22.0,A3B7C_oC44_63_ag_cgh_b:Eu-O-Os +mp-1216460,V6CoIr,-9.1426256313,-0.3363520819,0.0110695869,0.0110695869,GGA,Pm-3,ABC6_cP8_200_a_b_f:Co-Ir-V,8.0,ABC6_cP8_200_a_b_f:Co-Ir-V +mp-643265,ReF7,-5.6248654006,-2.3967554059,0.0,-0.2284373372,GGA,P-1,A7B_aP16_2_7i_i:F-Re,16.0,A7B_aP16_2_7i_i:F-Re +mp-1205863,Rb2ReF6,-5.6544639589,-2.7795229439,0.0,-0.2170210624,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-Rb-Re,9.0,A6B2C_hP9_164_i_d_a:F-Rb-Re +mp-1209252,ReF6,-5.8930329582,-2.4768328168,0.0012449761,-0.1289907865,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Re,28.0,A6B_oP28_62_2c2d_c:F-Re +mp-1025374,ReF6,-5.8942779343,-2.4780777929,0.0,-0.1302357626,GGA,Im-3m,A6B_cI14_229_e_a:F-Re,7.0,A6B_cI14_229_e_a:F-Re +mp-974458,Re3F,-9.5412832275,0.2699819031,0.9927545927,0.9927545927,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Re,4.0,AB3_cF16_225_a_bc:F-Re +mp-1188905,U3Co3Sb4,-7.659125663,-0.4876068255,0.0,-0.165236523,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Co-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Co-Sb-U +mp-1207625,YbCeO3,-8.150333833,-3.6877811193,0.121945317,0.121945317,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ce-O-Yb,,AB3C_oP20_62_c_cd_a:Ce-O-Yb +mp-677392,Yb2Ce8O19,-8.6910807066,-3.7072525923,0.0453290531,0.0453290531,GGA,P-4m2,A8B19C2_tP29_115_4g_abc4e4f_g:Ce-O-Yb,,"Invalid WP multiplicities - A8B19C2_tP29_115_8g_abc8e8f_g:Ce-O-Yb, expected Yb2Ce16O35 to be Yb2Ce8O19" +mp-674484,YbCe9O20,-8.8724314843,-3.7433919877,0.0350114564,0.0350114564,GGA,P-1,A9B20C_aP30_2_a4i_10i_c:Ce-O-Yb,,"Invalid WP multiplicities - A9B20C_aP30_2_a8i_20i_c:Ce-O-Yb, expected YbCe17O40 to be YbCe9O20" +mp-1192762,Ce3IrI3,-5.7005693446,-1.2637406739,0.0,-0.0338690863,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ce-I-Ir,28.0,A3B3C_cI56_214_g_h_a:Ce-I-Ir +mp-642894,UCo5Sn,-7.3509048655,-0.0876804598,0.0483673676,0.0483673676,GGA,Pnnm,A5BC_oP56_58_6g2h_2g_acg:Co-Sn-U,56.0,"Invalid WP multiplicities - A5BC_oP56_58_23g13h_5g_2ac2g:Co-Sn-U, expected U7(Co49Sn5)2 to be UCo5Sn" +mp-22360,U2Co2Sn,-8.349946694,-0.188141201,0.0372631057,0.0372631057,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Co-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Co-Sn-U +mp-1208040,UCo2Sn,-7.5334002525,-0.1539958887,0.0397792427,0.0397792427,GGA,Pnma,A2BC_oP16_62_2c_c_c:Co-Sn-U,16.0,A2BC_oP16_62_2c_c_c:Co-Sn-U +mp-13018,UCo4Sn,-7.394576575,-0.1055344008,0.0531880644,0.0531880644,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Sn-U,6.0,A4BC_cF24_216_e_a_c:Co-Sn-U +mp-21494,UCoSn,-7.62995257,-0.1601860167,0.0366788219,0.0366788219,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Sn-U,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Co-Sn-U, expected U3Co5Sn3 to be UCoSn" +mp-7169,TmPPt,-6.64354115,-1.3234507333,0.0,-0.058513771,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Tm,3.0,ABC_hP3_187_a_c_f:P-Pt-Tm +mp-1095517,EuPIr,-9.2404085625,-1.0708290669,0.0,-0.1971467693,GGA,P2_13,ABC_cP12_198_a_a_a:Eu-Ir-P,12.0,ABC_cP12_198_a_a_a:Eu-Ir-P +mp-21386,Eu(PIr)2,-8.7086836367,-0.956588602,0.0,-0.0869514447,GGA,P3_221,AB2C2_hP15_154_a_ab_c:Eu-Ir-P,15.0,"Invalid WP multiplicities - AB2C2_hP15_154_a_2ab_c:Eu-Ir-P, expected EuP2Ir3 to be Eu(PIr)2" +mp-2536,Ni2B,-6.369610495,-0.2897221181,0.0,-0.0188238313,GGA,I4/mcm,AB2_tI12_140_a_h:B-Ni,6.0,AB2_tI12_140_a_h:B-Ni +mp-631540,NiBTe,-4.6024772567,0.5984675247,0.9327244879,0.9327244879,GGA,F-43m,ABC_cF12_216_a_c_b:B-Ni-Te,3.0,ABC_cF12_216_a_c_b:B-Ni-Te +mp-569404,Ni4B3,-6.4439352986,-0.2784035796,0.0016959779,-0.0158760636,GGA,C2/c,A3B4_mC28_15_ef_2f:B-Ni,14.0,"Invalid WP multiplicities - A3B4_mC28_15_2e2f_5f:B-Ni, expected Ni5B3 to be Ni4B3" +mp-640067,Ni4B3,-6.4456312764,-0.2800995575,0.0,-0.0175720414,GGA,Pnma,A3B4_oP28_62_3c_4c:B-Ni,28.0,"Invalid WP multiplicities - A3B4_oP28_62_9c_13c:B-Ni, expected Ni13B9 to be Ni4B3" +mp-1104127,NiB12,-6.3535158654,0.2567024369,0.2944081466,0.2944081466,GGA,Fm-3m,A12B_cF52_225_h_b:B-Ni,13.0,A12B_cF52_225_h_b:B-Ni +mp-2058,Ni3B,-6.2677976275,-0.2628471748,0.0,-0.0377063247,GGA,Pnma,AB3_oP16_62_c_cd:B-Ni,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:B-Ni, expected Ni5B to be Ni3B" +mp-14019,NiB,-6.47189579,-0.2421315646,0.0029555482,0.0029555482,GGA,Cmcm,AB_oC8_63_c_c:B-Ni,4.0,AB_oC8_63_c_c:B-Ni +mp-20962,Ni23B6,-6.1579262034,-0.191736746,0.0257919503,0.0257919503,GGA,Fm-3m,A6B23_cF116_225_e_acfh:B-Ni,29.0,"Invalid WP multiplicities - A6B23_cF116_225_e_acf2h:B-Ni, expected Ni35B6 to be Ni23B6" +mp-1106361,La(ReB)4,-9.1948912467,-0.1469264769,0.2126874509,0.2126874509,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-La-Re,18.0,A4BC4_tP18_137_g_a_g:B-La-Re +mp-631508,LaReB,-6.8585694967,1.1614058569,1.4311163028,1.4311163028,GGA,F-43m,ABC_cF12_216_a_b_c:B-La-Re,3.0,ABC_cF12_216_a_b_c:B-La-Re +mp-27894,La2Re3B7,-8.3013629342,-0.4712514208,0.0,-0.0504394612,GGA,Pcca,A7B2C3_oP48_54_c3f_f_df:B-La-Re,48.0,A7B2C3_oP48_54_c3f_f_df:B-La-Re +mp-1104806,Gd(AlC)3,-7.8325464321,-0.2612826882,0.0,-0.010892351,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Gd,14.0,A3B3C_hP14_194_cf_df_a:Al-C-Gd +mp-580539,Gd3AlC,-11.381464934,-0.3409433255,0.0,-0.0221189745,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Gd,5.0,ABC3_cP5_221_a_b_c:Al-C-Gd +mp-865554,Mn2VGe,-8.2852651625,-0.2775240352,0.0,-0.0616455704,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Mn-V,4.0,AB2C_cF16_225_a_c_b:Ge-Mn-V +mp-21701,UFe5Sn,-8.2609910239,-0.0251213218,0.0323116009,0.0323116009,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Fe-Sn-U,28.0,"Invalid WP multiplicities - A5BC_oP28_62_7c2d_c_c:Fe-Sn-U, expected UFe11Sn to be UFe5Sn" +mp-21357,U2Fe2Sn,-8.857514087,-0.151027228,0.0,-0.0538057929,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Fe-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Fe-Sn-U +mp-1025071,YbB2Ir3,-7.5605629717,-0.6582805781000001,0.0,-0.2339061168,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Yb,,A2B3C_hP6_191_c_g_a:B-Ir-Yb +mp-985700,ErCrB4,-7.5062529,-0.6831973394,0.0,-0.0975193862,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Er,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Er +mp-14503,Er3CrB7,-7.01038777,-0.6365744704,0.0,-0.0094210345,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Cr-Er,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c4f_c_cf:B-Cr-Er, expected Er3CrB9 to be Er3CrB7" +mp-9149,Er3P4Pd7,-6.1072874636,-0.9918918117,0.0004967668,0.0004967668,GGA,C2/m,A3B4C7_mC28_12_ai_2i_c3i:Er-P-Pd,14.0,"Invalid WP multiplicities - A3B4C7_mC28_12_ai_2i_c4i:Er-P-Pd, expected Er3P4Pd9 to be Er3P4Pd7" +mp-570798,Er3(P3Pd10)2,-5.8992461072,-0.7343975669,0.0,-0.0410010278,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Er-P-Pd,29.0,"Invalid WP multiplicities - A3B6C20_cF116_225_ac_e_4f5h:Er-P-Pd, expected Er3(P3Pd46)2 to be Er3(P3Pd10)2" +mp-8919,ErPPd,-6.327562715,-1.2739283394,0.0,-0.045381584,GGA,Pnma,ABC_oP12_62_c_c_c:Er-P-Pd,12.0,ABC_oP12_62_c_c_c:Er-P-Pd +mp-1206417,Er(PPd)2,-6.05451686,-0.9036993713,0.0405243306,0.0405243306,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Er-P-Pd +mp-1093568,YZn2Pd,-1.864885465,1.6765745708000002,2.2794784576,2.2794784576,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Pd-Y-Zn +mp-1095522,YZnPd,-5.0561299433,-0.7540977656000001,0.0,-0.072156014,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Y-Zn,12.0,ABC_oP12_62_c_c_c:Pd-Y-Zn +mp-1078813,YZnPd,-5.0522212422,-0.7501890644,0.0039087011,-0.0682473129,GGA,P-62m,ABC_hP9_189_ad_f_g:Pd-Y-Zn,9.0,ABC_hP9_189_ad_f_g:Pd-Y-Zn +mp-1096055,Y2ZnPd,-2.9847385875,1.8584033242,2.4969957738,2.4969957738,GGA,Immm,AB2C_oI8_71_a_e_b:Pd-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Pd-Y-Zn +mp-1097388,YZnPd2,-3.3933624975,1.1281320883,1.8901812453,1.8901812453,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Y-Zn,4.0,A2BC_oI8_71_e_a_b:Pd-Y-Zn +mp-1187874,YZnPd2,-5.2450065125,-0.7235119267,0.0385372303,0.0385372303,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Y-Zn,4.0,A2BC_cF16_225_c_a_b:Pd-Y-Zn +mp-1029422,NbZn2N3,-6.8517102008,-0.5799973617,0.0,-0.1195487411,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Nb-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Nb-Zn +mp-1245451,Nb2ZnN4,-8.59555028,-0.7657883671,0.0519706144,0.0519706144,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:N-Nb-Zn,14.0,A4B2C_cF56_227_e_c_b:N-Nb-Zn +mp-722294,Nb3Zn3N,-6.6148991496,-0.5549504532,0.0,-0.0345441954,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:N-Nb-Zn,28.0,AB3C3_cF112_227_c_f_de:N-Nb-Zn +mp-1219268,SiNiW,-8.2841255375,-0.2295972242,0.1197981921,0.1197981921,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Ni-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Ni-Si-W, expected Si2Ni2W3 to be SiNiW" +mp-1219259,SiNi3W2,-8.3390743817,-0.2254096267,0.0690505125,0.068505095,GGA,Amm2,A3BC2_oC24_38_abcd_e_2c:Ni-Si-W,12.0,"Invalid WP multiplicities - A3BC2_oC24_38_abcd_e_3c:Ni-Si-W, expected Si(NiW)3 to be SiNi3W2" +mp-1219226,SiNi3W2,-8.4081248942,-0.2944601392,0.0,-0.0005454175,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Ni-Si-W,12.0,A3BC2_hP12_194_h_a_f:Ni-Si-W +mp-22537,Er3SnC,-3.901564086,1.4867146695,2.018977587,2.018977587,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Er-Sn,5.0,AB3C_cP5_221_a_c_b:C-Er-Sn +mp-972848,SiC3,-6.09110817,2.1867204569,2.2886085565,2.2886085565,GGA,I4/mmm,A3B_tI8_139_ad_b:C-Si,4.0,A3B_tI8_139_ad_b:C-Si +mp-570985,SiC,-7.5304880407,-0.2034962795,0.0002799198,-0.2034962795,GGA,P3m1,AB_hP54_156_9a9b9c_9a9b9c:C-Si,54.0,AB_hP54_156_9a9b9c_9a9b9c:C-Si +mp-571286,SiC,-7.5304845692,-0.2034928079,0.0002833913,-0.2034928079,GGA,P3m1,AB_hP72_156_12a12b12c_12a12b12c:C-Si,72.0,AB_hP72_156_12a12b12c_12a12b12c:C-Si +mp-568619,SiC,-7.529513156,-0.2025213948,0.0012548045,-0.2025213948,GGA,P3m1,AB_hP10_156_2a2bc_2a2bc:C-Si,10.0,AB_hP10_156_2a2bc_2a2bc:C-Si +mp-568656,SiC,-7.5307679605,-0.2037761993,0.0,-0.2037761993,GGA,P3m1,AB_hP20_156_3a3b4c_3a3b4c:C-Si,20.0,AB_hP20_156_3a3b4c_3a3b4c:C-Si +mp-568696,SiC,-7.5304057829,-0.2034140216,0.0003621776,-0.2034140216,GGA,P3m1,AB_hP28_156_4a5b5c_4a5b5c:C-Si,28.0,AB_hP28_156_4a5b5c_4a5b5c:C-Si +mp-568735,SiC,-7.5304672744,-0.2034755132,0.0003006861,-0.2034755132,GGA,P3m1,AB_hP36_156_5a5b8c_5a5b8c:C-Si,36.0,AB_hP36_156_5a5b8c_5a5b8c:C-Si +mp-582034,SiC,-7.5304036579,-0.2034118966,0.0003643026,-0.2034118966,GGA,P3m1,AB_hP42_156_7a7b7c_7a7b7c:C-Si,42.0,AB_hP42_156_7a7b7c_7a7b7c:C-Si +mp-570791,SiC,-7.5304727384,-0.2034809772,0.0002952221,-0.2034809772,GGA,P3m1,AB_hP38_156_6a6b7c_6a6b7c:C-Si,38.0,AB_hP38_156_6a6b7c_6a6b7c:C-Si +mp-571298,SiC,-7.5303359726,-0.2033442113,0.0004319879,-0.2033442113,GGA,P3m1,AB_hP78_156_12a13b14c_12a13b14c:C-Si,78.0,AB_hP78_156_12a13b14c_12a13b14c:C-Si +mp-624397,SiC,-7.4990050055,-0.1720132442,0.031762955,-0.1720132442,GGA,R3m,AB_hR66_160_11a_11a:C-Si,22.0,AB_hR66_160_11a_11a:C-Si +mp-11713,SiC,-7.527758142,-0.2007663808,0.0030098185,-0.2007663808,GGA,R3m,AB_hR30_160_5a_5a:C-Si,10.0,AB_hR30_160_5a_5a:C-Si +mp-9947,SiC,-7.5216292586,-0.1946374973,0.0091387019,-0.1946374973,GGA,R3m,AB_hR42_160_7a_7a:C-Si,14.0,AB_hR42_160_7a_7a:C-Si +mp-570641,SiC,-7.5214989412,-0.19450718,0.0092690193,-0.19450718,GGA,R3m,AB_hR48_160_8a_8a:C-Si,16.0,AB_hR48_160_8a_8a:C-Si +mp-570690,SiC,-7.5224003994,-0.1954086382,0.0083675611,-0.1954086382,GGA,R3m,AB_hR54_160_9a_9a:C-Si,18.0,AB_hR54_160_9a_9a:C-Si +mp-570804,SiC,-7.4990722319,-0.1720804707,0.0316957286,-0.1720804707,GGA,R3m,AB_hR78_160_13a_13a:C-Si,26.0,AB_hR78_160_13a_13a:C-Si +mp-1197730,SiC,-7.4985225162,-0.1715307549,0.0322454443,-0.1715307549,GGA,R3m,AB_hR102_160_17a_17a:C-Si,34.0,AB_hR102_160_17a_17a:C-Si +mp-1199063,SiC,-7.4989005009,-0.1719087396,0.0318674596,-0.1719087396,GGA,R3m,AB_hR168_160_28a_28a:C-Si,56.0,AB_hR168_160_28a_28a:C-Si +mp-1200168,SiC,-7.4990552557,-0.1720634944,0.0317127048,-0.1720634944,GGA,R3m,AB_hR174_160_29a_29a:C-Si,58.0,AB_hR174_160_29a_29a:C-Si +mp-1200692,SiC,-7.49890695,-0.1719151888,0.0318610105,-0.1719151887,GGA,R3m,AB_hR102_160_17a_17a:C-Si,34.0,AB_hR102_160_17a_17a:C-Si +mp-1200848,SiC,-7.49872785,-0.1717360888,0.0320401105,-0.1717360888,GGA,R3m,AB_hR150_160_25a_25a:C-Si,50.0,AB_hR150_160_25a_25a:C-Si +mp-1204356,SiC,-7.4989381876,-0.1719464264,0.0318297729,-0.1719464264,GGA,R3m,AB_hR114_160_19a_19a:C-Si,38.0,AB_hR114_160_19a_19a:C-Si +mp-7140,SiC,-7.526978555,-0.1999867938,0.0037894055,-0.1999867938,GGA,P6_3mc,AB_hP4_186_b_b:C-Si,4.0,AB_hP4_186_b_b:C-Si +mp-567505,SiC,-7.5303717762,-0.203380015,0.0003961843,-0.203380015,GGA,P6_3mc,AB_hP16_186_a3b_a3b:C-Si,16.0,AB_hP16_186_2a6b_2a6b:C-Si +mp-567551,SiC,-7.5305750416,-0.2035832803,0.0001929189,-0.2035832803,GGA,P6_3mc,AB_hP32_186_3a5b_3a5b:C-Si,32.0,"Invalid WP multiplicities - AB_hP32_186_6a9b_6a10b:C-Si, expected Si16C15 to be SiC" +mp-11714,SiC,-7.5305482625,-0.2035565013,0.000219698,-0.2035565013,GGA,P6_3mc,AB_hP8_186_ab_ab:C-Si,8.0,AB_hP8_186_ab_ab:C-Si +mp-7631,SiC,-7.5305651558,-0.2035733946,0.0002028047,-0.2035733946,GGA,P6_3mc,AB_hP12_186_a2b_a2b:C-Si,12.0,AB_hP12_186_a2b_a2b:C-Si +mp-8062,SiC,-7.5296584,-0.2026666388,0.0011095605,-0.2026666388,GGA,F-43m,AB_cF8_216_a_c:C-Si,2.0,AB_cF8_216_a_c:C-Si +mp-1002206,SiC,-6.788023155,0.5389686062,0.7427448055,0.5389686062,GGA,Fm-3m,AB_cF8_225_a_b:C-Si,2.0,AB_cF8_225_a_b:C-Si +mp-1019097,SiC2,-7.53380059,0.427082415,0.5629332145,0.5629332145,GGA,P4_2/mmc,A2B_tP6_131_i_e:C-Si,6.0,A2B_tP6_131_i_e:C-Si +mp-1102811,SiC2,-7.1152751283,0.8456078767,0.9814586762,0.9814586762,GGA,Pa-3,A2B_cP12_205_c_a:C-Si,12.0,A2B_cP12_205_c_a:C-Si +mp-1188839,Nb4SiC3,-9.677041575,-0.4874747416,0.0445770665,0.0445770665,GGA,P6_3/mmc,A3B4C_hP16_194_af_ef_c:C-Nb-Si,16.0,A3B4C_hP16_194_af_ef_c:C-Nb-Si +mp-1179504,Si8C3,-6.01190826,0.4506863507,0.5618370048,0.5618370048,GGA,P-1,A3B8_aP44_2_6i_16i:C-Si,44.0,A3B8_aP44_2_6i_16i:C-Si +mp-1202928,Si8C3,-5.9651925793,0.4974020314,0.6085526855,0.6085526855,GGA,P-1,A3B8_aP44_2_6i_16i:C-Si,44.0,A3B8_aP44_2_6i_16i:C-Si +mp-1219306,Si5C3,-6.1311957675,0.7203775609,0.8732097104000001,0.8732097104000001,GGA,R3,A3B5_hR24_146_b_2ab:C-Si,8.0,A3B5_hR24_146_b_2ab:C-Si +mp-631495,BaYSc,-4.0795795967,0.8263921228000001,0.8263921228000001,0.8263921228000001,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-Sc-Y,3.0,ABC_cF12_216_a_c_b:Ba-Sc-Y +mp-866159,YZrRu2,-8.8566887875,-0.4659445817,0.0242245516,0.0242245516,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Y-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Y-Zr +mp-1186384,Pa2Rh2O5,-8.5610766422,-2.0620334626,0.8301653131000001,0.8301653131000001,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Pa-Rh,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_ab_h:O-Pa-Rh, expected Pa2Rh2O9 to be Pa2Rh2O5" +mp-1218988,SmYCu4,-4.84246444,-0.2454837853,0.00086848,0.00086848,GGA,Imm2,A4BC_oI12_44_2c_a_b:Cu-Sm-Y,6.0,"Invalid WP multiplicities - A4BC_oI12_44_3c_a_b:Cu-Sm-Y, expected SmYCu6 to be SmYCu4" +mp-1196259,Sb(WBr3)5,-5.3433366024,-0.9521424433,0.001396837,0.001396837,GGA,P-1,A15BC5_aP84_2_30i_2i_10i:Br-Sb-W,84.0,A15BC5_aP84_2_30i_2i_10i:Br-Sb-W +mp-1186919,Sb3W,-5.6948963525,0.641387135,0.641387135,0.641387135,GGA,I4/mmm,A3B_tI8_139_ad_b:Sb-W,4.0,A3B_tI8_139_ad_b:Sb-W +mp-1245800,SnOsN,-7.51850062,0.3393107833,0.3393107833,0.3393107833,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Os-Sn,6.0,ABC_hP6_186_b_b_a:N-Os-Sn +mp-542180,Th(TeI)2,-4.693692634,-1.3642520867,0.0,-0.0583024459,GGA,C2/m,A2B2C_mC20_12_j_2i_g:I-Te-Th,10.0,A2B2C_mC20_12_j_2i_g:I-Te-Th +mp-972204,V2MoRu,-9.833606715,-0.2616405175,0.0,-0.0635450475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Ru-V,4.0,ABC2_cF16_225_a_b_c:Mo-Ru-V +mp-1216951,U(Fe5Mo)2,-9.0244218262,0.0281106608,0.0532334081,0.0532334081,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-U,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-U +mp-1187026,SmYHg2,-3.43461805,-0.4865135554,0.0,-0.0732466931,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Sm-Y +mp-568574,LaGeI,-4.95813613,-1.2806690267,0.0,-0.0048921337,GGA,P-3m1,ABC_hP6_164_d_d_c:Ge-I-La,6.0,ABC_hP6_164_d_d_c:Ge-I-La +mp-570597,La2GeI2,-4.953865984,-1.465511031,0.0,-0.0971499615,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ge-I-La,5.0,AB2C2_hP5_164_a_d_d:Ge-I-La +mp-637213,La2GeI2,-4.9495328480000005,-1.461177895,0.004333136,-0.0928168255,GGA,R-3m,AB2C2_hR15_166_a_c_c:Ge-I-La,5.0,AB2C2_hR15_166_a_c_c:Ge-I-La +mp-1217050,U2(InSn)3,-5.4467107275,-0.0883873806,0.0,-0.0183928589,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:In-Sn-U,8.0,A3B3C2_oP8_47_aj_bgh_k:In-Sn-U +mp-1212799,Ga4O5,-5.6727744089000005,-1.5787935593,0.5228361122,0.5228361122,GGA,Fddd,A4B5_oF72_70_h_ah:Ga-O,18.0,A4B5_oF72_70_h_ah:Ga-O +mp-1212646,GaO2,-5.9205134117,-1.6133555967,0.2781111077,0.2781111077,GGA,Pnma,AB2_oP12_62_c_2c:Ga-O,12.0,AB2_oP12_62_c_2c:Ga-O +mp-1181290,GaO2,-5.8195116233,-1.5123538083,0.379112896,0.379112896,GGA,Fddd,AB2_oF48_70_e_cf:Ga-O,12.0,AB2_oF48_70_e_cf:Ga-O +mp-1181293,GaO3,-5.2725958831,-0.8055553441000001,0.6130446842,0.6130446842,GGA,Im-3,AB3_cI32_204_c_g:Ga-O,16.0,AB3_cI32_204_c_g:Ga-O +mp-1183990,GaO,-5.37280046,-1.3854080931,0.5060586112000001,0.5060586112000001,GGA,P6_3mc,AB_hP4_186_b_b:Ga-O,4.0,AB_hP4_186_b_b:Ga-O +mp-685090,Ga2O3,-6.2320154872,-2.0527638515,0.2169961937,-0.1248920482,GGA,P1,A2B3_aP40_1_16a_24a:Ga-O,40.0,A2B3_aP40_1_16a_24a:Ga-O +mp-1244900,Ga2O3,-6.3020344905,-2.1227828548,0.1469771905,-0.1949110514,GGA,P1,A2B3_aP80_1_32a_48a:Ga-O,80.0,A2B3_aP80_1_32a_48a:Ga-O +mp-1244932,Ga2O3,-6.2625475216,-2.0832958859,0.1864641594,-0.1554240825,GGA,P1,A2B3_aP80_1_32a_48a:Ga-O,80.0,A2B3_aP80_1_32a_48a:Ga-O +mp-1244938,Ga2O3,-6.2819542716,-2.1027026359,0.1670574094,-0.1748308325,GGA,P1,A2B3_aP80_1_32a_48a:Ga-O,80.0,A2B3_aP80_1_32a_48a:Ga-O +mp-1245018,Ga2O3,-6.2743801092,-2.0951284735,0.1746315717,-0.1672566702,GGA,P1,A2B3_aP80_1_32a_48a:Ga-O,80.0,A2B3_aP80_1_32a_48a:Ga-O +mp-1245167,Ga2O3,-6.29216319,-2.1129115543,0.156848491,-0.1850397509,GGA,P1,A2B3_aP80_1_32a_48a:Ga-O,80.0,A2B3_aP80_1_32a_48a:Ga-O +mp-886,Ga2O3,-6.449011681,-2.2697600452,0.0,-0.3418882419,GGA,C2/m,A2B3_mC20_12_2i_3i:Ga-O,10.0,A2B3_mC20_12_2i_3i:Ga-O +mp-1181342,Ga2O3,-4.568474358,-0.3892227222,1.880537323,1.5386490811,GGA,C2/c,A2B3_mC20_15_f_ef:Ga-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Ga-O, expected GaO4 to be Ga2O3" +mp-13134,Ga2O3,-6.16493657,-1.9856849342,0.284075111,-0.0578131309,GGA,Cmcm,A2B3_oC20_63_ac_cf:Ga-O,10.0,A2B3_oC20_63_ac_cf:Ga-O +mp-1243,Ga2O3,-6.419218121,-2.2399664853,0.02979356,-0.3120946819,GGA,R-3c,A2B3_hR30_167_c_e:Ga-O,10.0,A2B3_hR30_167_c_e:Ga-O +mp-1183053,AcGaO3,-7.461883426,-3.0640159932,0.0,-0.0599201375,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Ga-O,5.0,ABC3_cP5_221_a_b_c:Ac-Ga-O +mp-1212686,Ga3O5,-6.2354162481,-2.0081997952,0.1197002473,0.1197002473,GGA,Pnma,A3B5_oP32_62_a2c_3cd:Ga-O,32.0,A3B5_oP32_62_a2c_3cd:Ga-O +mp-1213655,GaO5,-4.4845700673,0.1423531958,1.088086548,1.088086548,GGA,P3c1,AB5_hP48_158_2a2b_2a2b4c4d:Ga-O,48.0,AB5_hP48_158_2a2b_2a2b4c4d:Ga-O +mp-1225444,ErUTe4,-5.9478584217,-1.2091330228,0.0,-0.0040207458,GGA,Imm2,AB4C_oI12_44_a_2bc_a:Er-Te-U,6.0,AB4C_oI12_44_a_2bc_a:Er-Te-U +mp-1225699,ErUTe6,-5.3657477237,-1.0258772012,0.0003244313,0.0003244313,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Er-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Er-Te-U +mp-1184350,ErU,-7.50055483,0.42900958,0.42900958,0.42900958,GGA,P-6m2,AB_hP2_187_a_d:Er-U,2.0,AB_hP2_187_a_d:Er-U +mp-14715,Pr2Au5F21,-4.5945620294000005,-2.2348377498,0.0,-0.030980996,GGA,P4_12_12,A5B21C2_tP112_92_a2b_a10b_b:Au-F-Pr,112.0,"Invalid WP multiplicities - A5B21C2_tP112_92_a2b_a12b_b:Au-F-Pr, expected Pr2(AuF5)5 to be Pr2Au5F21" +mp-1246987,Zr(PbN)4,-6.3741283806,-0.0692096461,0.3664160343,0.3664160343,GGA,C2/c,A4B4C_mC36_15_2f_2f_e:N-Pb-Zr,18.0,"Invalid WP multiplicities - A4B4C_mC36_15_4f_3f_e:N-Pb-Zr, expected Zr(Pb3N4)2 to be Zr(PbN)4" +mp-1246139,ZrPb7N6,-5.9193725591,0.1202845602,0.4003296404,0.4003296404,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Pb-Zr,56.0,A6B7C_oP56_60_3d_c3d_c:N-Pb-Zr +mp-1247300,ZrPbN2,-8.0258099687,-0.7924755812000001,0.1876821996,0.1876821996,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Pb-Zr,8.0,A2BC_tP8_129_ac_c_c:N-Pb-Zr +mp-997167,NiAuO2,-5.5645244225,-0.8276753969,0.0007201562,-0.0272243521,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Au-Ni-O,4.0,ABC2_hR12_166_a_b_c:Au-Ni-O +mp-997095,NiAuO2,-5.5652445787,-0.8283955531,0.0,-0.0279445083,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-Ni-O,8.0,ABC2_hP8_194_c_a_f:Au-Ni-O +mp-1215908,YHoCo4,-6.7553027683,-0.1749442411,0.0252117658,0.0252117658,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ho-Y,6.0,A4BC_cF24_216_e_a_c:Co-Ho-Y +mp-569310,Sr(POs)2,-7.63788099,-0.6437143247,0.0,-0.0686613043,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-P-Sr,5.0,A2B2C_tI10_139_d_e_a:Os-P-Sr +mp-1205992,HfMnF6,-7.5878453212,-3.7643355554,0.0,-0.0717424883,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Hf-Mn,8.0,A6BC_cF32_225_e_a_b:F-Hf-Mn +mp-1206167,Hf3MnF6,-7.12969992,-2.0794543013,1.0553976489,1.0553976489,GGA+U,P-1,A6B3C_aP10_2_3i_bce_a:F-Hf-Mn,10.0,A6B3C_aP10_2_3i_bce_a:F-Hf-Mn +mp-1237866,Hf3MnF6,-6.997131839,-1.9468862203,1.1879657299,1.1879657299,GGA+U,P-1,A6B3C_aP10_2_3i_bcd_a:F-Hf-Mn,10.0,A6B3C_aP10_2_3i_bcd_a:F-Hf-Mn +mp-21623,ThFe5P3,-8.0479877769,-0.7142242414000001,0.0,-0.0266149957,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Fe-P-Th,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_18c_8c_c:Fe-P-Th, expected Th(Fe9P4)2 to be ThFe5P3" +mp-9619,Th(FeP3)4,-6.9069799971,-0.6567698106000001,0.0,-0.0619420769,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-Th,17.0,A4B12C_cI34_204_c_g_a:Fe-P-Th +mp-28780,Th5Fe19P12,-8.0493581217,-0.7449324461,0.0094706427,0.0094706427,GGA,C2/m,A19B12C5_mC72_12_a9i_6i_d2i:Fe-P-Th,36.0,"Invalid WP multiplicities - A19B12C5_mC72_12_a12i_8i_c2i:Fe-P-Th, expected Th5Fe25P16 to be Th5Fe19P12" +mp-21941,Th(Fe2P)2,-8.1238545929,-0.6780620067,0.0030082245,0.0030082245,GGA,Pnnm,A4B2C_oP42_58_6g_3g_ag:Fe-P-Th,42.0,"Invalid WP multiplicities - A4B2C_oP42_58_9g_4g_ag:Fe-P-Th, expected Th3(Fe9P4)2 to be Th(Fe2P)2" +mp-1246186,Ti(GeN)4,-6.8489650206,-0.2119002276,0.3541952026,0.3541952026,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ge-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Ge-N-Ti +mp-1224623,Hf8Mo5S,-10.1294571186,-0.2707276431,0.0775743543,0.0775743543,GGA,Amm2,A8B5C_oC56_38_ab2cd2f_abcd2e_ab:Hf-Mo-S,28.0,"Invalid WP multiplicities - A8B5C_oC56_38_ab4cd4f_abcd2e_ab:Hf-Mo-S, expected Hf14Mo5S to be Hf8Mo5S" +mp-1194092,Hf9Mo4S,-10.1248525386,-0.3295845688,0.0003093525,0.0003093525,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Mo-S,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Mo-S +mp-1215815,YbGdS3,-7.678377031,-2.0733610069,0.1691674715,0.1691674715,GGA,Pnma,AB3C_oP20_62_c_3c_c:Gd-S-Yb,,AB3C_oP20_62_c_3c_c:Gd-S-Yb +mp-1215831,YbGdS3,-7.673731156,-2.0687151319,0.1738133465,0.1738133465,GGA,Pnma,AB3C_oP20_62_c_3c_c:Gd-S-Yb,,AB3C_oP20_62_c_3c_c:Gd-S-Yb +mp-675856,Yb(GdS2)2,-9.0160948429,-2.4107159532,0.0041955432,0.0041955432,GGA,I-42d,A2B4C_tI28_122_d_e_a:Gd-S-Yb,,A2B4C_tI28_122_d_e_a:Gd-S-Yb +mp-1079714,SiHgP2,-4.1902733975,-0.0513725454,0.0424681125,0.0424681125,GGA,I-42d,AB2C_tI16_122_a_d_b:Hg-P-Si,8.0,AB2C_tI16_122_a_d_b:Hg-P-Si +mp-999187,SiHgP2,-3.3766743325,0.7622265196,0.8560671775,0.8560671775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-P-Si,4.0,AB2C_cF16_225_a_c_b:Hg-P-Si +mp-1184685,Hg3P,-1.143723015,0.4373628854,0.4373628854,0.4373628854,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-P,8.0,A3B_hP8_194_h_c:Hg-P +mp-1184574,Hg3P,-1.1317585975,0.4493273029,0.4493273029,0.4493273029,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-P,4.0,A3B_cF16_225_ac_b:Hg-P +mp-6979,ThGeS,-6.9793903333,-1.5882783427,0.0,-0.1048358615,GGA,I4/mmm,ABC_tI12_139_c_e_e:Ge-S-Th,6.0,ABC_tI12_139_c_e_e:Ge-S-Th +mp-1207688,Yb3CrS6,-5.4880843328,-1.5790271816,0.208306299,0.208306299,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-S-Yb,,AB6C3_oP40_58_ac_6g_3g:Cr-S-Yb +mp-1201355,Yb2CrS4,-5.7980640609,-1.6154835613,0.1896984002,0.1896984002,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Cr-S-Yb,,AB4C2_oP56_29_2a_8a_4a:Cr-S-Yb +mp-1215807,Yb4CrS7,-5.3732162233,-1.6426637518,0.2632006407,0.2632006407,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cr-S-Yb,,AB7C4_mC24_8_a_7a_4a:Cr-S-Yb +mp-1207074,Gd3SnC,-11.700816084,-0.6074952705000001,0.0,-0.2727914475,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Gd-Sn,5.0,AB3C_cP5_221_b_c_a:C-Gd-Sn +mp-1213611,ErBi2C,-4.5829719666,0.7863686741,1.2004290016,1.2004290016,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Er,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Er +mp-1188536,Sm5Ge3C,-5.8333896294,-0.6455363258,0.0296017981,0.0296017981,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Sm,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Sm +mp-10040,AlPt3C,-6.025705158,0.2118230985,0.7658357210000001,0.7658357210000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Pt,5.0,ABC3_cP5_221_a_b_c:Al-C-Pt +mp-1206894,Lu3AlC,-5.789421248,-0.4820026715,0.0,-0.0984162823,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Lu,5.0,ABC3_cP5_221_a_b_c:Al-C-Lu +mp-973586,Lu(AlC)3,-6.5453267336,-0.3390875211,0.0,-0.1095682074,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Lu,14.0,"Invalid WP multiplicities - A3B3C_hP14_194_2c3f_2d3f_a:Al-C-Lu, expected Lu(AlC)8 to be Lu(AlC)3" +mp-1247431,Te3(Ru2N)2,-7.0050645867,0.0172151567,0.3266420697,0.3266420697,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Ru-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Ru-Te +mp-1207031,GdGaI,-7.3969592567,-1.2044310525,0.0,-0.5537278431,GGA,P-3m1,ABC_hP6_164_d_c_d:Ga-Gd-I,6.0,ABC_hP6_164_d_c_d:Ga-Gd-I +mp-1096224,LaYPb2,-3.0787070925,1.6282359971,2.1884685592,2.1884685592,GGA,Immm,AB2C_oI8_71_a_e_b:La-Pb-Y,4.0,AB2C_oI8_71_a_e_b:La-Pb-Y +mp-1203061,TcF4,-5.9261943468,-2.3248833837,0.0,-0.1766105651,GGA,Pbca,A4B_oP40_61_4c_c:F-Tc,40.0,A4B_oP40_61_4c_c:F-Tc +mp-1208328,TcF6,-5.4184920332,-2.2999902118,0.0017306654,-0.6393592234000001,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Tc,28.0,A6B_oP28_62_2c2d_c:F-Tc +mp-1025373,TcF6,-5.4202226986,-2.3017208771,0.0,-0.6410898888000001,GGA,Im-3m,A6B_cI14_229_e_a:F-Tc,7.0,A6B_cI14_229_e_a:F-Tc +mp-867369,TcF3,-5.7505622912,-1.7267933294,0.4527848429,0.4527848429,GGA,Amm2,A3B_oC16_38_abde_ab:F-Tc,8.0,A3B_oC16_38_abde_ab:F-Tc +mp-1079364,Cs2TcF6,-5.4821425478,-2.8576628262,0.0,-0.302690264,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Tc,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Tc +mp-1096067,YScCd2,-1.6485335325,2.0126464021,2.3355978325,2.3355978325,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Cd-Sc-Y +mp-972058,YbTmO3,-7.19836871,-3.0272667426,0.4716242664,0.4716242664,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Tm-Yb,,A3BC_cP5_221_c_b_a:O-Tm-Yb +mp-16732,YAs,-6.6271710850000005,-1.0643763258,0.484015365,-0.7382531064000001,GGA,Pm-3m,AB_cP2_221_a_b:As-Y,2.0,AB_cP2_221_a_b:As-Y +mp-933,YAs,-7.11118645,-1.5483916908,0.0,-1.2222684714,GGA,Fm-3m,AB_cF8_225_a_b:As-Y,2.0,AB_cF8_225_a_b:As-Y +mp-980750,YAs3,-5.6001414113,-0.4891848292,0.2850110162,0.2850110162,GGA,P6_3/mmc,A3B_hP8_194_h_c:As-Y,8.0,A3B_hP8_194_h_c:As-Y +mp-15695,YAsPt,-6.9392092558,-1.2069683097,0.0,-0.0265622674,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Pt-Y,12.0,ABC_hP12_194_f_f_ab:As-Pt-Y +mp-1217396,ThPbI6,-3.7833103525,-1.287472425,0.058177785,0.058177785,GGA,Amm2,A6BC_oC16_38_ab2c_a_b:I-Pb-Th,8.0,"Invalid WP multiplicities - A6BC_oC16_38_ab4c_a_b:I-Pb-Th, expected ThPbI10 to be ThPbI6" +mp-505148,ThPbI6,-3.8084228375,-1.31258491,0.0330653,0.0330653,GGA,P-31c,A6BC_hP16_163_i_b_c:I-Pb-Th,16.0,A6BC_hP16_163_i_b_c:I-Pb-Th +mp-1101129,ThPbI12,-2.9221024657,-0.8644666429000001,0.0,-0.0955236657,GGA,Pm,A12BC_mP14_6_2a2b4c_a_b:I-Pb-Th,14.0,A12BC_mP14_6_2a2b4c_a_b:I-Pb-Th +mp-30211,La5Sn3I,-5.1590132472,-0.9165557539,0.0,-0.0208938092,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:I-La-Sn,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_3d4g_g:I-La-Sn, expected La18Sn3I to be La5Sn3I" +mp-1105198,Rb2PaF7,-6.281833655,-3.7962250973,0.0,-0.1271506775,GGA,C2/c,A7BC2_mC40_15_e3f_e_f:F-Pa-Rb,20.0,A7BC2_mC40_15_e3f_e_f:F-Pa-Rb +mp-28074,RbPaF6,-6.6132174731,-3.8677084059,0.0,-1.4950677202,GGA,Cmme,A6BC_oC32_67_no_c_g:F-Pa-Rb,16.0,"Invalid WP multiplicities - A6BC_oC32_67_n2o_c_g:F-Pa-Rb, expected RbPaF10 to be RbPaF6" +mp-1097133,V2FeOs,-5.73289365,3.733406545,3.9737378736,3.9737378736,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Os-V,4.0,ABC2_oI8_71_a_b_e:Fe-Os-V +mp-571021,K5InPb8,-2.9290313921,-0.2143988904,0.0,-0.032770848,GGA,R-3m,AB5C8_hR42_166_a_b2c_ch:In-K-Pb,14.0,"Invalid WP multiplicities - AB5C8_hR42_166_a_b4c_2c3h:In-K-Pb, expected K9InPb22 to be K5InPb8" +mp-1206994,La3SnN,-6.505745866,-1.074928247,0.0,-0.0970305707,GGA,Pm-3m,A3BC_cP5_221_c_b_a:La-N-Sn,5.0,A3BC_cP5_221_c_b_a:La-N-Sn +mp-1103280,YGaIr,-6.9847543833,-0.8737539447,0.0,-0.1290754402,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ir-Y,12.0,ABC_oP12_62_c_c_c:Ga-Ir-Y +mp-1207736,Y2(Ga3Ir)3,-5.4399337196,-0.6755687933,0.0,-0.1153863139,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-Y +mp-766325,BaCaI4,-3.5908233533,-1.9544833167,0.0518388463,0.0518388463,GGA,Cm,ABC4_mC12_8_a_a_2ab:Ba-Ca-I,6.0,ABC4_mC12_8_a_a_2ab:Ba-Ca-I +mp-753575,BaCaI4,-3.6136997583,-1.9773597217,0.0289624412,0.0289624412,GGA,P2/m,ABC4_mP6_10_b_c_mn:Ba-Ca-I,6.0,"Invalid WP multiplicities - ABC4_mP6_10_b_c_2mn:Ba-Ca-I, expected BaCaI6 to be BaCaI4" +mp-766308,BaCaI4,-3.545553335,-1.9092132983,0.0971088646,0.0971088646,GGA,C2/m,ABC4_mC48_12_gi_hi_2i3j:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_mC48_12_g2i_h2i_4i5j:Ba-Ca-I, expected Ba3Ca3I14 to be BaCaI4" +mp-753809,BaCaI4,-3.6151436675,-1.9788036308,0.0275185321,0.0275185321,GGA,P2/c,ABC4_mP12_13_e_f_2g:Ba-Ca-I,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_7g:Ba-Ca-I, expected BaCaI14 to be BaCaI4" +mp-766349,BaCaI4,-3.5737233346,-1.9373832979,0.068938865,0.068938865,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_11e:Ba-Ca-I, expected BaCaI11 to be BaCaI4" +mp-766359,BaCaI4,-3.5614704052,-1.9251303685,0.0811917944,0.0811917944,GGA,P2_1/c,ABC4_mP48_14_2e_2e_8e:Ba-Ca-I,48.0,"Invalid WP multiplicities - ABC4_mP48_14_7e_7e_29e:Ba-Ca-I, expected Ba7Ca7I29 to be BaCaI4" +mp-766365,BaCaI4,-3.5734341242000003,-1.9370940875,0.0692280754,0.0692280754,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_11e:Ba-Ca-I, expected BaCaI11 to be BaCaI4" +mp-753709,BaCaI4,-3.5736277358,-1.9372876992,0.0690344638,0.0690344638,GGA,C2/c,ABC4_mC24_15_e_e_2f:Ba-Ca-I,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_e_7f:Ba-Ca-I, expected BaCaI14 to be BaCaI4" +mp-753775,BaCaI4,-3.5454868733,-1.9091468367,0.0971753262,0.0971753262,GGA,Pmm2,ABC4_oP6_25_a_d_ef:Ba-Ca-I,6.0,ABC4_tP6_123_a_d_i:Ba-Ca-I +mp-753610,BaCaI4,-3.5647591458,-1.9284191092,0.0779030538,0.0779030538,GGA,Cmc2_1,ABC4_oC24_36_a_a_4a:Ba-Ca-I,12.0,"Invalid WP multiplicities - ABC4_oC24_36_a_a_8a:Ba-Ca-I, expected BaCaI8 to be BaCaI4" +mp-859135,BaCaI4,-3.5511037683,-1.9147637317,0.0915584313,0.0915584313,GGA,Pnna,ABC4_oP24_52_d_c_2e:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_oP24_52_d_c_5e:Ba-Ca-I, expected BaCaI10 to be BaCaI4" +mp-766324,BaCaI4,-3.5783798512,-1.9420398146,0.0642823483,0.0642823483,GGA,Pbcm,ABC4_oP24_57_d_a_cde:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_oP24_57_d_a_2c2de:Ba-Ca-I, expected BaCaI6 to be BaCaI4" +mp-766348,BaCaI4,-3.5815894396,-1.9452494029,0.06107276,0.06107276,GGA,Pbcn,ABC4_oP24_60_c_c_2d:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_oP24_60_c_c_5d:Ba-Ca-I, expected BaCaI10 to be BaCaI4" +mp-1178538,BaCaI4,-3.5907409788,-1.9544009421,0.0519212208,0.0519212208,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ba-Ca-I,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_6c3d:Ba-Ca-I, expected BaCaI12 to be BaCaI4" +mp-753486,BaCaI4,-3.5913734158,-1.9550333792,0.0512887838,0.0512887838,GGA,Imma,ABC4_oI24_74_e_a_hi:Ba-Ca-I,12.0,"Invalid WP multiplicities - ABC4_oI24_74_e_a_2h3i:Ba-Ca-I, expected BaCaI10 to be BaCaI4" +mp-756666,BaCaI4,-3.5762938967,-1.93995386,0.0663683029,0.0663683029,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ba-Ca-I,12.0,ABC4_tI24_88_a_b_f:Ba-Ca-I +mp-1178524,BaCaI4,-3.545837205,-1.9094971683,0.0968249946,0.0968249946,GGA,P4/mmm,ABC4_tP6_123_a_d_i:Ba-Ca-I,6.0,ABC4_tP6_123_a_d_i:Ba-Ca-I +mp-757070,BaCaI4,-3.552086315,-1.9157462783,0.0905758846,0.0905758846,GGA,R-3m,ABC4_hR18_166_a_b_2c:Ba-Ca-I,6.0,"Invalid WP multiplicities - ABC4_hR18_166_a_b_3c:Ba-Ca-I, expected BaCaI6 to be BaCaI4" +mp-766336,Ba6Ca11I34,-3.5295463686,-1.8889600114,0.0943778203,0.0943778203,GGA,P-1,A6B11C34_aP51_2_3i_a5i_17i:Ba-Ca-I,51.0,"Invalid WP multiplicities - A6B11C34_aP51_2_5i_a9i_33i:Ba-Ca-I, expected Ba10Ca19I66 to be Ba6Ca11I34" +mp-766330,Ba6CaI14,-3.6110354719,-1.9850079281,0.077133325,0.077133325,GGA,Cmce,A6BC14_oC84_64_fg_a_def2g:Ba-Ca-I,42.0,"Invalid WP multiplicities - A6BC14_oC84_64_f2g_a_4d2ef6g:Ba-Ca-I, expected Ba10CaI38 to be Ba6CaI14" +mp-766337,Ba6CaI14,-3.622499474,-1.9964719302,0.0656693229,0.0656693229,GGA,Cmce,A6BC14_oC84_64_fg_a_def2g:Ba-Ca-I,42.0,"Invalid WP multiplicities - A6BC14_oC84_64_f2g_a_4d2ef6g:Ba-Ca-I, expected Ba10CaI38 to be Ba6CaI14" +mp-753460,BaCa2I6,-3.5715405161,-1.9303879828,0.0498852714,0.0498852714,GGA,Pc,AB2C6_mP18_7_a_2a_6a:Ba-Ca-I,18.0,"Invalid WP multiplicities - AB2C6_mP18_7_a_4a_12a:Ba-Ca-I, expected BaCa4I12 to be BaCa2I6" +mp-766310,BaCa2I6,-3.56701376,-1.9258612267,0.0544120275,0.0544120275,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ba-Ca-I,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_7e_21e:Ba-Ca-I, expected BaCa7I21 to be BaCa2I6" +mp-766332,BaCa2I6,-3.5270035181,-1.8858509847,0.0944222694,0.0944222694,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ba-Ca-I,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_5e_21e:Ba-Ca-I, expected BaCa5I21 to be BaCa2I6" +mp-753716,BaCa2I6,-3.5247872906,-1.8836347572,0.0966384969,0.0966384969,GGA,P2_1/c,AB2C6_mP18_14_a_e_3e:Ba-Ca-I,18.0,"Invalid WP multiplicities - AB2C6_mP18_14_a_e_9e:Ba-Ca-I, expected BaCa2I18 to be BaCa2I6" +mp-773900,BaCa2I6,-3.5490287350000003,-1.9078762017,0.0723970525,0.0723970525,GGA,C2/c,AB2C6_mC36_15_e_f_3f:Ba-Ca-I,18.0,"Invalid WP multiplicities - AB2C6_mC36_15_e_f_5f:Ba-Ca-I, expected BaCa2I10 to be BaCa2I6" +mp-766352,BaCa2I6,-3.5740826147,-1.9329300814,0.0473431728,0.0473431728,GGA,Pbcn,AB2C6_oP36_60_c_2c_3d:Ba-Ca-I,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_5c_9d:Ba-Ca-I, expected BaCa5I18 to be BaCa2I6" +mp-766287,BaCa2I6,-3.5215991203,-1.8804465869,0.0998266672,0.0998266672,GGA,P-4b2,AB2C6_tP36_117_ad_ef_3i:Ba-Ca-I,36.0,"Invalid WP multiplicities - AB2C6_tP36_117_2ad_3e3f_14i:Ba-Ca-I, expected Ba3Ca12I56 to be BaCa2I6" +mp-754572,BaCa2I6,-3.5717580106,-1.9306054772,0.0496677769,0.0496677769,GGA,P4_2/mnm,AB2C6_tP18_136_a_e_fj:Ba-Ca-I,18.0,"Invalid WP multiplicities - AB2C6_tP18_136_a_e_2f3j:Ba-Ca-I, expected BaCa2I16 to be BaCa2I6" +mp-766313,BaCa2I6,-3.5584801759,-1.9173276426,0.0629456116,0.0629456116,GGA,P321,AB2C6_hP27_150_ad_ef_3g:Ba-Ca-I,27.0,"Invalid WP multiplicities - AB2C6_hP27_150_a2d_3e2f_16g:Ba-Ca-I, expected Ba5Ca15I96 to be BaCa2I6" +mp-757074,BaCa2I6,-3.5922230622,-1.9510705289,0.0292027253,0.0292027253,GGA,P-31m,AB2C6_hP9_162_a_d_k:Ba-Ca-I,9.0,AB2C6_hP9_162_a_d_k:Ba-Ca-I +mp-859126,Ba3CaI8,-3.6281602675,-1.9990389758,0.0463565502,0.0463565502,GGA,I4/mmm,A3BC8_tI24_139_ad_b_m:Ba-Ca-I,12.0,"Invalid WP multiplicities - A3BC8_tI24_139_a2d_b_m:Ba-Ca-I, expected Ba5CaI8 to be Ba3CaI8" +mp-756725,Ba2CaI6,-3.6568894067,-2.0253618667,0.007009205,0.007009205,GGA,P2_1/c,A2BC6_mP18_14_e_a_3e:Ba-Ca-I,18.0,"Invalid WP multiplicities - A2BC6_mP18_14_e_a_9e:Ba-Ca-I, expected Ba2CaI18 to be Ba2CaI6" +mp-766288,Ba2CaI6,-3.6284964819,-1.9969689419,0.0354021297,0.0354021297,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_5e_e_21e:Ba-Ca-I, expected Ba5CaI21 to be Ba2CaI6" +mp-766301,Ba2CaI6,-3.6192583667,-1.9877308267,0.044640245,0.044640245,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_3e_e_19e:Ba-Ca-I, expected Ba3CaI19 to be Ba2CaI6" +mp-766343,Ba2CaI6,-3.6262151147,-1.9946875747,0.0376834969,0.0376834969,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_7e_e_21e:Ba-Ca-I, expected Ba7CaI21 to be Ba2CaI6" +mp-753351,Ba2CaI6,-3.5739198517,-1.9423923117,0.08997876,0.08997876,GGA,C2/c,A2BC6_mC36_15_f_e_3f:Ba-Ca-I,18.0,"Invalid WP multiplicities - A2BC6_mC36_15_f_e_9f:Ba-Ca-I, expected Ba2CaI18 to be Ba2CaI6" +mp-766317,Ba2CaI6,-3.6230555939,-1.9915280539,0.0408430178,0.0408430178,GGA,Pbcn,A2BC6_oP36_60_d_c_3d:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_d_c_9d:Ba-Ca-I, expected Ba2CaI18 to be Ba2CaI6" +mp-766340,Ba2CaI6,-3.6267768133,-1.9952492733,0.0371217983,0.0371217983,GGA,Pbcn,A2BC6_oP36_60_2c_c_3d:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_7c_c_9d:Ba-Ca-I, expected Ba7CaI18 to be Ba2CaI6" +mp-766351,Ba2CaI6,-3.6162100561,-1.9846825161,0.0476885556,0.0476885556,GGA,P-4b2,A2BC6_tP36_117_ef_ad_3i:Ba-Ca-I,36.0,"Invalid WP multiplicities - A2BC6_tP36_117_3e3f_2ad_14i:Ba-Ca-I, expected Ba12Ca3I56 to be Ba2CaI6" +mp-753731,Ba2CaI6,-3.6240056683,-1.9924781283,0.0398929433,0.0398929433,GGA,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Ba-Ca-I,18.0,"Invalid WP multiplicities - A2BC6_tP18_136_e_a_2f3j:Ba-Ca-I, expected Ba2CaI16 to be Ba2CaI6" +mp-859128,Ba2CaI6,-3.6355062296,-2.0039786896,0.028392382,0.028392382,GGA,P321,A2BC6_hP27_150_ef_ad_3g:Ba-Ca-I,27.0,"Invalid WP multiplicities - A2BC6_hP27_150_3e2f_a2d_16g:Ba-Ca-I, expected Ba15Ca5I96 to be Ba2CaI6" +mp-753345,Ba2CaI6,-3.6016262067,-1.9700986667,0.062272405,0.062272405,GGA,P-31m,A2BC6_hP9_162_c_b_k:Ba-Ca-I,9.0,A2BC6_hP9_162_c_b_k:Ba-Ca-I +mp-766303,Ba2Ca7I18,-3.5350911207,-1.8907302563,0.0721770587,0.0721770587,GGA,P-1,A2B7C18_aP27_2_i_a3i_9i:Ba-Ca-I,27.0,"Invalid WP multiplicities - A2B7C18_aP27_2_i_a5i_17i:Ba-Ca-I, expected Ba2Ca11I34 to be Ba2Ca7I18" +mp-1220610,Nd2Co17N2,-7.1332540367,-0.130840359,0.1615383964,0.1615383964,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_e_i:Co-N-Nd,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_f_i:Co-N-Nd, expected Nd2Co25N2 to be Nd2Co17N2" +mp-1215981,YErNi2,-6.1039361313,-0.4553203104,0.0017457875,0.0017457875,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Er-Ni-Y,8.0,AB2C_oP8_26_a_ab_b:Er-Ni-Y +mp-1212448,Hf9Re4O3,-10.9670329453,-1.3274781863,0.0,-0.0074811147,GGA,P6_3/mmc,A9B3C4_hP32_194_hk_g_ah:Hf-O-Re,32.0,A9B3C4_hP32_194_hk_g_ah:Hf-O-Re +mp-505499,Ta4BTe8,-6.7700542419000005,-0.6733658237,0.0,-0.0195065365,GGA,Pbam,AB4C8_oP26_55_a_gh_2g2h:B-Ta-Te,26.0,AB4C8_oP26_55_a_gh_2g2h:B-Ta-Te +mp-1183953,CsKRb2,-0.966815575,0.024901791,0.024901791,0.024901791,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cs-K-Rb,4.0,ABC2_cF16_225_a_b_c:Cs-K-Rb +mp-1185542,CsK2Rb,-0.997409395,0.0267741896,0.0267741896,0.0267741896,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cs-K-Rb,4.0,AB2C_cF16_225_a_c_b:Cs-K-Rb +mp-1183940,Cs3K,-0.8912067662000001,0.0579447496,0.0579447496,0.0579447496,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cs-K,8.0,A3B_hP8_194_h_c:Cs-K +mp-1192978,CsK7Rb5,-1.0213282727,0.0225844476,0.0225844476,0.0225844476,GGA,P6_3/mmc,AB7C5_hP26_194_c_ak_b2f:Cs-K-Rb,26.0,AB7C5_hP26_194_c_ak_b2f:Cs-K-Rb +mp-30577,CsK2,-1.0138186742,0.0249147479,0.0249147479,0.0249147479,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Cs-K,12.0,"Invalid WP multiplicities - AB2_hP12_194_f_a2h:Cs-K, expected Cs2K7 to be CsK2" +mp-1097633,Cs2KRb,-0.4786969675,0.4917374734,0.4917374734,0.4917374734,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-K-Rb,4.0,A2BC_oI8_71_e_a_b:Cs-K-Rb +mp-1183766,Cs2KRb,-0.9490239025,0.0214105384,0.0214105384,0.0214105384,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cs-K-Rb,4.0,A2BC_cF16_225_c_a_b:Cs-K-Rb +mp-1183958,CsK3,-1.0225524275,0.0340973758,0.0340973758,0.0340973758,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-K,4.0,AB3_tI8_139_a_bd:Cs-K +mp-1185558,CsK3,-1.0201772013,0.036472602,0.036472602,0.036472602,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cs-K,8.0,AB3_hP8_194_c_h:Cs-K +mp-1185543,CsK3,-1.026151115,0.0304986883,0.0304986883,0.0304986883,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-K,4.0,AB3_cP4_221_a_c:Cs-K +mp-1185554,CsK3,-1.029611075,0.0270387283,0.0270387283,0.0270387283,GGA,Fm-3m,AB3_cF16_225_a_bc:Cs-K,4.0,AB3_cF16_225_a_bc:Cs-K +mp-569866,Cs6K7,-0.9864132915,0.024756467,0.024756467,0.024756467,GGA,P6_3/mmc,A6B7_hP26_194_bc2f_ak:Cs-K,26.0,"Invalid WP multiplicities - A6B7_hP26_194_2b2c5f_2a2k:Cs-K, expected CsK to be Cs6K7" +mp-14796,KPt2Se3,-4.8365098367,-0.8797765,0.0,-0.0611662535,GGA,R-3m,AB2C3_hR36_166_c_ae_h:K-Pt-Se,12.0,AB2C3_hR36_166_c_ae_h:K-Pt-Se +mp-8621,K2PtSe2,-4.153143052,-1.0963922181,0.0,-0.072218468,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pt-Se,5.0,A2BC2_oI10_71_e_c_g:K-Pt-Se +mp-1219010,SmUAl4,-5.399970535,-0.2345872908,0.1222302204,0.1222302204,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Sm-U,6.0,A4BC_cF24_216_e_a_c:Al-Sm-U +mp-1198561,Sn15Ru3O14,-6.4158314528,-1.5026930965,0.0,-0.0468931109,GGA,Cm,A14B3C15_mC64_8_6a4b_3a_7a4b:O-Ru-Sn,32.0,A14B3C15_mC64_8_6a4b_3a_7a4b:O-Ru-Sn +mp-1095468,Dy3Sc2S7,-6.9294692575,-2.309431941,0.0,-0.012798532,GGA,C2/m,A3B7C2_mC24_12_ai_d3i_i:Dy-S-Sc,12.0,A3B7C2_mC24_12_ai_c3i_i:Dy-S-Sc +mp-1184176,DyScS3,-6.9558556015,-2.2861344924,0.0062475232,0.0062475232,GGA,Pnma,AB3C_oP20_62_c_cd_a:Dy-S-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c2d_a:Dy-S-Sc, expected DyScS6 to be DyScS3" +mp-1078537,PrLuS3,-6.717461856,-2.3752206809,0.0,-0.006940333,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Lu-Pr-S,10.0,ABC3_oC20_63_a_c_cf:Lu-Pr-S +mp-1206692,PrLuS3,-6.565455062,-2.2232138869,0.152006794,0.145066461,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Lu-Pr-S,10.0,ABC3_oC20_63_c_a_cf:Lu-Pr-S +mp-1196820,Pr4(LuS2)11,-6.6619673619,-2.3415355832,0.0237699422,0.0237699422,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Lu-Pr-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Lu-Pr-S +mp-1189644,Pr(LuS2)3,-6.690807619,-2.3745619674,0.0,-0.012436819,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Lu-Pr-S,20.0,A3BC6_mP20_11_3e_e_6e:Lu-Pr-S +mp-33560,Ca(CeS2)2,-6.6620779243,-2.3167096875,0.0321746314,0.0321746314,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Ce-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Ce-S +mp-1187360,TbCe3,-5.5129653525,0.0954430388,0.0954430388,0.0954430388,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Tb,4.0,A3B_tI8_139_ad_b:Ce-Tb +mp-1217706,Tb2Ce,-5.03038273,0.036891055,0.036891055,0.036891055,GGA,R-3m,AB2_hR9_166_a_c:Ce-Tb,3.0,AB2_hR9_166_a_c:Ce-Tb +mp-1187354,Tb3Ce,-4.873963265,0.0850835987,0.0850835987,0.0850835987,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-Tb,4.0,AB3_tI8_139_a_bd:Ce-Tb +mp-1217716,Tb3Ce,-4.895125765,0.0639210987,0.0639210987,0.0639210987,GGA,P-6m2,AB3_hP4_187_a_bh:Ce-Tb,4.0,AB3_hP4_187_a_bh:Ce-Tb +mp-1187297,Tb3Ce,-4.8836652975,0.0753815662,0.0753815662,0.0753815662,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-Tb,8.0,AB3_hP8_194_c_h:Ce-Tb +mp-1217639,Tb4CeS7,-6.7831160742000005,-2.3309741889,0.0318337696,0.0318337696,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Ce-S-Tb,12.0,AB7C4_mC24_8_a_7a_4a:Ce-S-Tb +mp-5051,Ho2Mo2C3,-8.7273740257,-0.3642148204,0.0,-0.1197926533,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Ho-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Ho-Mo +mp-1101061,Ho2Mo2C3,-8.695713852899999,-0.3325546475,0.0316601729,-0.0881324805,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Ho-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Ho-Mo +mp-1188132,HoMoC2,-8.7342701181,-0.2629226269,0.0557653409,0.0557653409,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Ho-Mo,16.0,A2BC_oP16_62_2c_c_c:C-Ho-Mo +mp-9075,CdCuF4,-4.2673001367,-2.1559647533,0.0,-0.00913757,GGA,I4/mcm,ABC4_tI24_140_a_d_l:Cd-Cu-F,12.0,ABC4_tI24_140_a_d_l:Cd-Cu-F +mp-1213386,CsLu3F10,-6.7181458025000005,-4.3200712591,0.0,-0.04920923,GGA,Cmce,AB10C3_oC112_64_ab_e3f3g_eg:Cs-F-Lu,56.0,AB10C3_oC112_64_ab_e3f3g_eg:Cs-F-Lu +mp-1226963,CsLu4F13,-6.7586740491,-4.3237612141,0.0259404284,0.0259404284,GGA,Cm,AB13C4_mC108_8_3a_15a12b_4a4b:Cs-F-Lu,54.0,"Invalid WP multiplicities - AB13C4_mC108_8_3a_15a24b_4a8b:Cs-F-Lu, expected Cs3Lu20F63 to be CsLu4F13" +mp-10351,Tm3GaC,-3.947677526,1.189176031,1.642900949,1.642900949,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Ga-Tm,5.0,ABC3_cP5_221_a_b_c:C-Ga-Tm +mp-1187858,YLuRu2,-7.749215299999999,-0.3651586217,0.0306355016,0.0306355016,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Lu-Ru-Y +mp-1206671,LuSeI,-2.1888510867,0.9745583626,2.8840573722,2.8840573722,GGA,Pmmm,ABC_oP6_47_i_i_i:I-Lu-Se,6.0,ABC_oP6_47_i_i_i:I-Lu-Se +mp-615776,CsYb3F10,-5.0505069746,-3.2912914827,0.0501272445,0.0501272445,GGA,P6_3mc,AB10C3_hP56_186_2a_2b6c_2c:Cs-F-Yb,,"Invalid WP multiplicities - AB10C3_hP56_186_2a_4b35c_9c:Cs-F-Yb, expected Cs2Yb27F109 to be CsYb3F10" +mp-8398,CsYbF3,-5.524441392,-3.8905518811,0.0,-0.073129957,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Yb,,AB3C_cP5_221_a_c_b:Cs-F-Yb +mp-1211508,La3IrI3,-5.4639032671,-1.454395475,0.0,-0.1047896648,GGA,I4_132,A3BC3_cI56_214_h_a_g:I-Ir-La,28.0,A3BC3_cI56_214_h_a_g:I-Ir-La +mp-35152,Sr2H5Rh,-4.1290141313,-0.665648506,0.0,-0.1685149819,GGA,I4mm,A5BC2_tI16_107_ac_a_b:H-Rh-Sr,8.0,A5BC2_tI16_107_ac_a_b:H-Rh-Sr +mp-755717,SmHoO3,-8.709853042,-3.8816408143,0.066932637,0.066932637,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ho-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ho-O-Sm, expected SmHoO7 to be SmHoO3" +mp-865501,V2TcRu,-9.77547926,-0.3247658537,0.0,-0.0217138075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ru-Tc-V,4.0,ABC2_cF16_225_a_b_c:Ru-Tc-V +mp-980645,YErRh2,-7.3284172225,-0.8877158067,0.0116620025,0.0116620025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Er-Rh-Y +mp-1206280,Li3YSb2,-4.300093075,-0.8915527094000001,0.0,-0.019918045,GGA,P-3m1,A3B2C_hP6_164_ad_d_b:Li-Sb-Y,6.0,A3B2C_hP6_164_ad_d_b:Li-Sb-Y +mp-1222493,Li5(YSb2)2,-4.39436239,-0.8494931609,0.0387922065,0.0387922065,GGA,Cm,A5B4C2_mC22_8_5a_4a_2a:Li-Sb-Y,11.0,A5B4C2_mC22_8_5a_4a_2a:Li-Sb-Y +mp-530670,Li34(YSb2)13,-4.3623273229,-0.85107343,0.0380175834,0.0380175834,GGA,P3m1,A34B26C13_hP73_156_12a13b9c_13a13c_13b:Li-Sb-Y,73.0,A34B26C13_hP73_156_12a13b9c_13a13c_13b:Li-Sb-Y +mp-865432,Y2NiIr,-7.51398965,-0.6261113783000001,0.0261916935,0.0261916935,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Y,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Y +mp-989534,LaMoN3,-9.250023062,-1.091794664,0.022802566,-0.2685401783,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:La-Mo-N,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_5e:La-Mo-N, expected LaMoN5 to be LaMoN3" +mp-989631,LaMoN3,-9.272825628,-1.11459723,0.0,-0.2913427443,GGA,C2/c,ABC3_mC40_15_2e_f_3f:La-Mo-N,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_11f:La-Mo-N, expected La3(MoN11)2 to be LaMoN3" +mp-989603,LaMoN3,-9.255385783,-1.097157385,0.017439845,-0.2739028993,GGA,Ama2,ABC3_oC20_40_b_b_3b:La-Mo-N,10.0,"Invalid WP multiplicities - ABC3_oC20_40_b_b_6b:La-Mo-N, expected LaMoN6 to be LaMoN3" +mp-989515,LaMoN3,-9.23118073,-1.072952332,0.041644898,-0.2496978463,GGA,P4mm,ABC3_tP5_99_b_a_ac:La-Mo-N,5.0,"Invalid WP multiplicities - ABC3_tP5_99_b_a_a2c:La-Mo-N, expected LaMoN5 to be LaMoN3" +mp-989552,LaMoN3,-9.243476604,-1.085248206,0.029349024,-0.2619937203,GGA,R3c,ABC3_hR30_161_a_a_b:La-Mo-N,10.0,ABC3_hR30_161_a_a_b:La-Mo-N +mp-1187442,ThPdO3,-7.490239,-2.0034777612,0.933890281,0.933890281,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pd-Th,5.0,A3BC_cP5_221_c_b_a:O-Pd-Th +mp-1207169,CaH3Pd,-3.987623668,-0.514891703,0.0,-0.071703159,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-H-Pd,5.0,AB3C_cP5_221_a_c_b:Ca-H-Pd +mp-1227045,CaH2Pd,-4.046719125,-0.55398568,0.0243506184,0.0243506184,GGA,P4/mmm,AB2C_tP4_123_a_e_d:Ca-H-Pd,4.0,AB2C_tP4_123_a_e_d:Ca-H-Pd +mp-1246104,Ba4SnN4,-5.5181618244,-0.5146672339,0.1898651044,0.1898651044,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-Sn +mp-1246390,Ba5(SnN3)2,-5.7176795181,-0.5151419827,0.2222891323,0.2222891323,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ba-N-Sn,26.0,A5B6C2_mC52_15_e2f_3f_f:Ba-N-Sn +mp-1246481,Ba7SnN6,-5.3354593941,-0.5167903952,0.1400337843,0.1400337843,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ba-N-Sn,56.0,A7B6C_oP56_60_c3d_3d_c:Ba-N-Sn +mp-1247232,Ba2SnN2,-5.4733006775,-0.5691983605000001,0.1635944545,0.1635944545,GGA,Cmce,A2B2C_oC40_64_2f_2f_f:Ba-N-Sn,20.0,A2B2C_oC40_64_2f_2f_f:Ba-N-Sn +mp-1246036,BaSnN2,-6.0364343406,-0.3860501794,0.1902820034,0.1902820034,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ba-N-Sn,16.0,AB2C_oC32_64_f_ef_f:Ba-N-Sn +mp-1246038,BaSnN2,-6.0052355788,-0.3548514175,0.2214807653,0.2214807653,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ba-N-Sn,8.0,AB2C_tP8_129_c_ac_c:Ba-N-Sn +mp-1093829,CaYPd2,-3.54399927,1.1639593833,1.9702513165,1.9702513165,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Pd-Y +mp-1183551,CaYPd2,-5.4926244275,-0.7846657742,0.021626159,0.021626159,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Ca-Pd-Y +mp-1212783,Gd3TiS6,-9.6887235472,-2.1944677535,0.0183396124,0.0183396124,GGA,Pnnm,A3B6C_oP40_58_3g_6g_ac:Gd-S-Ti,40.0,A3B6C_oP40_58_3g_6g_ac:Gd-S-Ti +mp-961688,VGaPt,-6.1856812367,-0.1246360992,0.3999838333,0.3999838333,GGA,F-43m,ABC_cF12_216_a_b_c:Ga-Pt-V,3.0,ABC_cF12_216_a_b_c:Ga-Pt-V +mp-1185111,K3Pr,-1.4957547450000002,0.532270904,0.532270904,0.532270904,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Pr,4.0,A3B_tI8_139_ad_b:K-Pr +mp-975872,K3Pr,-1.5002477938,0.5277778552,0.5277778552,0.5277778552,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Pr,8.0,A3B_hP8_194_h_c:K-Pr +mp-567710,KPr3Te8,-4.8173530388,-1.4340560922,0.0,-0.0079947929,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:K-Pr-Te,48.0,"Invalid WP multiplicities - AB3C8_mP48_14_e_11e_28e:K-Pr-Te, expected KPr11Te28 to be KPr3Te8" +mp-11132,KPrTe4,-4.3168428192,-1.2394214399,0.006570105,0.006570105,GGA,P4/nbm,ABC4_tP12_125_a_b_m:K-Pr-Te,12.0,ABC4_tP12_125_a_b_m:K-Pr-Te +mp-1185158,KPr3,-3.4392957937,0.4239832593,0.4239832593,0.4239832593,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Pr,8.0,AB3_hP8_194_c_h:K-Pr +mp-974827,KPr3,-3.4223910325,0.4408880205,0.4408880205,0.4408880205,GGA,Pm-3m,AB3_cP4_221_a_c:K-Pr,4.0,AB3_cP4_221_a_c:K-Pr +mp-5273,KPrTe2,-4.6706388425,-1.6261597203,0.0,-0.1195875542,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Pr-Te,4.0,ABC2_hR12_166_a_b_c:K-Pr-Te +mp-1218049,Ta3Mo3N4,-11.007496621,-0.861870329,0.0591013633,0.0591013633,GGA,P4mm,A3B4C3_tP10_99_2ab_2a2b_a2b:Mo-N-Ta,10.0,A3B4C3_tP10_99_2ab_2a2b_a2b:Mo-N-Ta +mp-1247469,TaMoN3,-10.2192425,-0.676659997,0.2242691351,0.2242691351,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Ta,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Ta +mp-9587,TaMoN,-11.229573085,-0.8829321967,0.0187892772,0.0187892772,GGA,P4/nmm,ABC_tP6_129_c_c_c:Mo-N-Ta,6.0,ABC_tP6_129_c_c_c:Mo-N-Ta +mp-23036,K2SeBr6,-3.0303458678,-1.3598037176,0.0,-0.0299135799,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Se,9.0,A6B2C_cF36_225_e_c_a:Br-K-Se +mp-21023,Ti3SnC2,-8.4736474958,-0.7814176808000001,0.0,-0.0302487042,GGA,P6_3/mmc,A2BC3_hP12_194_f_b_af:C-Sn-Ti,12.0,"Invalid WP multiplicities - A2BC3_hP12_194_f_b_2a2f:C-Sn-Ti, expected Ti6SnC2 to be Ti3SnC2" +mp-3871,Ti2SnC,-7.9795279975,-0.7222226523,0.0,-0.0480901766,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Sn-Ti,8.0,ABC2_hP8_194_a_c_f:C-Sn-Ti +mp-1025301,GaPPd5,-5.4725933571,-0.566763703,0.0,-0.0163130543,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Ga-P-Pd,7.0,ABC5_tP7_123_c_b_ai:Ga-P-Pd +mp-21551,In2(Ni7B2)3,-6.0201964603,-0.2628658271,0.0,-0.0212331059,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-In-Ni,29.0,"Invalid WP multiplicities - A6B2C21_cF116_225_e_c_a4f3h:B-In-Ni, expected In2(Ni23B2)3 to be In2(Ni7B2)3" +mp-1224457,In2Ni7B,-4.973432499,0.2909391001,0.4762423098,0.4762423098,GGA,P4/mmm,AB2C7_tP10_123_a_h_befg:B-In-Ni,10.0,"Invalid WP multiplicities - AB2C7_tP10_123_a_h_b2e2fg:B-In-Ni, expected In2Ni11B to be In2Ni7B" +mp-1224500,In(Ni11B3)2,-6.0890453848,-0.2272853395,0.0129119222,0.0129119222,GGA,F-43m,A6BC22_cF116_216_g_a_bc2eh:B-In-Ni,29.0,A6BC22_cF116_216_g_a_bc2eh:B-In-Ni +mp-1224119,In(Ni11B3)2,-6.03334633,-0.1715862847,0.0686109771,0.0686109771,GGA,Fm-3m,A6BC22_cF116_225_e_a_cfh:B-In-Ni,29.0,A6BC22_cF116_225_e_a_cfh:B-In-Ni +mp-505628,Cr3IrN,-9.589295706,-0.362481403,0.005346442,0.005346442,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cr-Ir-N,5.0,A3BC_cP5_221_c_a_b:Cr-Ir-N +mp-972810,SiTc2W,-10.0431514975,-0.26696996,0.0,-0.0227754869,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Si-Tc-W,4.0,AB2C_cF16_225_a_c_b:Si-Tc-W +mp-1193160,Eu(HoS2)2,-7.5450440021,-2.4068127154,0.0,-0.0258628738,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Ho-S,28.0,AB2C4_oP28_62_c_2c_4c:Eu-Ho-S +mp-1219839,Si8HgC18,-6.511318167,1.2598745541,1.3806308203,1.3806308203,GGA,P-1,A18BC8_aP27_2_9i_a_4i:C-Hg-Si,27.0,A18BC8_aP27_2_9i_a_4i:C-Hg-Si +mp-1184566,HgC,-2.4773259275,2.2888470012,2.2888470012,2.2888470012,GGA,P6_3mc,AB_hP4_186_b_b:C-Hg,4.0,AB_hP4_186_b_b:C-Hg +mp-973461,Hg3C,-1.0245799125,1.5103467344,1.5103467344,1.5103467344,GGA,I4/mmm,AB3_tI8_139_a_bd:C-Hg,4.0,AB3_tI8_139_a_bd:C-Hg +mp-973450,Hg3C,-1.011984305,1.5229423419,1.5229423419,1.5229423419,GGA,Pm-3m,AB3_cP4_221_a_c:C-Hg,4.0,AB3_cP4_221_a_c:C-Hg +mp-1102833,SbOsS,-6.9159481767,-0.4183419977,0.0,-0.0642054208,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-S-Sb,12.0,ABC_mP12_14_e_e_e:Os-S-Sb +mp-541785,GePdS3,-5.094248789,-0.6517969359,0.0,-0.0116326159,GGA,C2/m,ABC3_mC20_12_i_i_3i:Ge-Pd-S,10.0,ABC3_mC20_12_i_i_3i:Ge-Pd-S +mp-20097,Pt3PbC,-5.840397596,0.3905449085,0.4826028475,0.4826028475,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Pt,5.0,ABC3_cP5_221_b_a_c:C-Pb-Pt +mp-1078054,Sn2Rh3S2,-6.1189343286,-0.6353676066,0.0,-0.0266756734,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Rh-S-Sn,7.0,A3B2C2_hR21_166_d_c_ab:Rh-S-Sn +mp-1194322,Ba(YbS2)2,-5.069236645,-1.9915236496,0.1877037293,0.1877037293,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-S-Yb,,AB4C2_oP28_62_c_4c_2c:Ba-S-Yb +mp-1215577,Zr2NiS4,-7.25979984,-1.6281802104,0.0,-0.0433739971,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Ni-S-Zr,7.0,AB4C2_mC14_8_a_4a_2a:Ni-S-Zr +mp-1224435,Hf2V3Ru,-9.7074244658,-0.3006746642,0.0,-0.0243680392,GGA,P6_3/mmc,A2BC3_hP12_194_f_a_h:Hf-Ru-V,12.0,A2BC3_hP12_194_f_a_h:Hf-Ru-V +mp-1202969,Tc3Se4I,-6.6459533406,-0.8285872037,0.0,-0.776101506,GGA,P2_1/c,AB4C3_mP32_14_e_4e_3e:I-Se-Tc,32.0,AB4C3_mP32_14_e_4e_3e:I-Se-Tc +mp-1216758,U2(PdRh)3,-8.1450931175,-0.618169485,0.0,-0.0111758191,GGA,Pmmm,A3B3C2_oP8_47_abg_hj_k:Pd-Rh-U,8.0,A3B3C2_oP8_47_abg_hj_k:Pd-Rh-U +mp-1097345,MnVOs2,-6.3923393825,3.782824673,3.9428099237,3.9428099237,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Os-V,4.0,AB2C_oI8_71_a_e_b:Mn-Os-V +mp-865462,MnV2Os,-9.9275284225,-0.288229707,0.0,-0.0260037845,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Os-V,4.0,ABC2_cF16_225_a_b_c:Mn-Os-V +mp-1093632,NaY2Pb,-2.65154212,1.8404865275,2.2327056782,2.2327056782,GGA,Immm,ABC2_oI8_71_a_b_e:Na-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Na-Pb-Y +mp-1096210,NaYPb2,-2.3549347375,1.4486378992,1.7895765081,1.7895765081,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Pb-Y,4.0,AB2C_oI8_71_a_e_b:Na-Pb-Y +mp-1186202,NaY3,-4.881365855,0.2991188034,0.2991188034,0.2991188034,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Y,4.0,AB3_tI8_139_a_bd:Na-Y +mp-1186191,NaY3,-4.870181215,0.3103034434,0.3103034434,0.3103034434,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Y,4.0,AB3_cF16_225_a_bc:Na-Y +mp-631325,ScHgW2,-7.1697527375,0.968349745,1.1831181675,1.1831181675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Sc-W,4.0,ABC2_cF16_225_a_b_c:Hg-Sc-W +mp-1211388,LaHfF7,-7.4779747239,-4.3364692897,0.0,-0.0113225268,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-La,18.0,A7BC_mP18_4_7a_a_a:F-Hf-La +mp-1211227,LaHf2F11,-7.5543236339,-4.2774197905,0.0,-0.015707244,GGA,Ibam,A11B2C_oI56_72_cj2k_j_b:F-Hf-La,28.0,A11B2C_oI56_72_cj2k_j_b:F-Hf-La +mp-1247397,InBi2N3,-5.5096210992,0.3974033617,0.42368642,0.42368642,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Bi-In-N,24.0,A2BC3_mC48_15_2f_f_2e2f:Bi-In-N +mp-1186571,PmEuO3,-8.81884267,-2.8493206187,0.6616967546,0.6616967546,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Pm,5.0,AB3C_cP5_221_a_c_b:Eu-O-Pm +mp-1097496,CaYIn2,-1.8469157975,1.6469438158,2.1280183675,2.1280183675,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-In-Y,4.0,AB2C_oI8_71_a_e_b:Ca-In-Y +mp-1016840,HgOsO3,-6.127337816,-0.8531150303,0.314533703,0.314533703,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Os,5.0,AB3C_cP5_221_a_c_b:Hg-O-Os +mp-22089,Hg2Os2O7,-6.4361481373,-1.1917011765,0.0339337145,0.0339337145,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Hg-O-Os,22.0,A2B7C2_cF88_227_c_af_d:Hg-O-Os +mp-1216411,VCr3As4,-7.3238195588,-0.2388792963,0.0189413028,0.0189413028,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:As-Cr-V,8.0,A4B3C_mP8_6_2a2b_a2b_a:As-Cr-V +mp-1216397,VCrAs2,-7.340825925,-0.3270283375,0.0109191456,0.0109191456,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Cr-V,8.0,A2BC_oP8_26_ab_a_b:As-Cr-V +mp-1029852,RbMoN2,-7.7028813698,-0.5780878617,0.0,-0.1671014726,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Mo-N-Rb,64.0,AB2C_oP64_61_2c_4c_2c:Mo-N-Rb +mp-1209538,Rb2Mo,-3.19780247,1.071103615,1.071103615,1.071103615,GGA,C2/m,AB2_mC12_12_i_2i:Mo-Rb,6.0,AB2_mC12_12_i_2i:Mo-Rb +mp-974882,Rb3Mo,-2.2343313075,1.2124817744,1.2124817744,1.2124817744,GGA,I4/mmm,AB3_tI8_139_a_bd:Mo-Rb,4.0,AB3_tI8_139_a_bd:Mo-Rb +mp-974933,Rb3Mo,-2.2420957225,1.2047173594,1.2047173594,1.2047173594,GGA,Fm-3m,AB3_cF16_225_a_bc:Mo-Rb,4.0,AB3_cF16_225_a_bc:Mo-Rb +mp-1245465,Rb6MoN4,-4.6201249582,-0.0678672995,0.2422959046,0.2422959046,GGA,P4_2/nmc,AB4C6_tP22_137_a_g_df:Mo-N-Rb,22.0,AB4C6_tP22_137_a_g_df:Mo-N-Rb +mp-24727,TmH2,-4.5578688367,-0.8041063322,0.0,-0.1513476537,GGA,Fm-3m,A2B_cF12_225_c_a:H-Tm,3.0,A2B_cF12_225_c_a:H-Tm +mp-1191179,TmH3,-4.3978569029,-0.7343535133,0.0,-0.1312737642,GGA,P-3c1,A3B_hP24_165_adg_f:H-Tm,24.0,A3B_hP24_165_adg_f:H-Tm +mp-1208090,Tm2Fe17H3,-7.5067599189,-0.0922049392,0.0826555201,0.0826555201,GGA,P6_3/mmc,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Tm,44.0,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Tm +mp-27625,Ge19(PBr)4,-4.540793335,-0.2555024983,0.0,-0.0441167646,GGA,P-43n,A4B19C4_cP54_218_ac_dei_e:Br-Ge-P,54.0,A4B19C4_cP54_218_ac_dei_e:Br-Ge-P +mp-510548,Y4Ga12Pt,-4.6501263847,-0.6339987351,0.0,-0.0388900938,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pt-Y,17.0,A12BC4_cI34_229_de_a_c:Ga-Pt-Y +mp-1096742,YGaPt2,-4.1798456825,1.2293627615,2.208452161,2.208452161,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Pt-Y,4.0,AB2C_oI8_71_a_e_b:Ga-Pt-Y +mp-1104240,Y3Ga9Pt2,-4.8766667029,-0.6770564041,0.0205002367,0.0205002367,GGA,Immm,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Y,14.0,A9B2C3_oI28_71_b2n_f_ag:Ga-Pt-Y +mp-1103353,YGaPt,-6.2907598342,-1.1021930156,0.0,-0.145606167,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pt-Y,12.0,ABC_oP12_62_c_c_c:Ga-Pt-Y +mp-1216279,Y6Ga17Pt5,-5.0267964436,-0.7185062413000001,0.0200217123,0.0200217123,GGA,C2/m,A17B5C6_mC56_12_a8i_d2i_3i:Ga-Pt-Y,28.0,"Invalid WP multiplicities - A17B5C6_mC56_12_a12i_c3i_4i:Ga-Pt-Y, expected Y8Ga25Pt7 to be Y6Ga17Pt5" +mp-1207514,YbPPd,-5.102031415,-1.0577672161,0.0,-0.1687483456,GGA,Pnma,ABC_oP12_62_c_c_c:P-Pd-Yb,,ABC_oP12_62_c_c_c:P-Pd-Yb +mp-1207642,Yb3(P3Pd10)2,-5.5677053245,-0.7161095976,0.0,-0.0967252684,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:P-Pd-Yb,,A6B20C3_cF116_225_e_fh_ac:P-Pd-Yb +mp-1206959,Yb(PPd)2,-5.464047352,-0.9188519693,0.0,-0.0596541852,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Yb,,A2B2C_tI10_139_e_d_a:P-Pd-Yb +mp-1207584,Yb5P7Pd9,-5.3445028976,-0.9535459816,0.0,-0.0151557009,GGA,P-6,A7B9C5_hP21_174_ajk_2jk_cfk:P-Pd-Yb,,A7B9C5_hP21_174_ajk_2jk_cfk:P-Pd-Yb +mp-1191755,Yb2Fe12P7,-7.4432053457,-0.6521296968,0.0,-0.0005275051,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Yb,,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Yb +mp-12956,Yb(FeP3)4,-6.4622298435,-0.5575637729,0.0,-0.0536413771,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-Yb,,A4B12C_cI34_204_c_g_a:Fe-P-Yb +mp-1197850,YbFe5P3,-7.3648855775,-0.6838164831,0.0,-0.0352682436,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Fe-P-Yb,,A5B3C_oP36_62_5c_3c_c:Fe-P-Yb +mp-1215587,YbLuB24,-6.6068812615,-0.2081904423,0.038939689,0.038939689,GGA,R-3m,A24BC_hR78_166_2hi_a_b:B-Lu-Yb,,"Invalid WP multiplicities - A24BC_hR78_166_12h4i_a_b:B-Lu-Yb, expected YbLuB120 to be YbLuB24" +mp-1077278,PuB2Os3,-10.2917649867,-0.0736442931,0.2156817829,0.2156817829,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Os-Pu,6.0,A2B3C_hP6_191_c_g_a:B-Os-Pu +mp-1188931,PuB2Os,-10.1474864394,-0.433989114,0.0,-0.0370612867,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Pu,16.0,A2BC_oP16_62_d_c_c:B-Os-Pu +mp-1205010,Pu2B6Os,-9.3596676439,-0.4886237867,0.0,-0.0150333544,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-Pu,36.0,A6BC2_oP36_55_6h_g_2g:B-Os-Pu +mp-1191689,PuB4Os,-9.1984581804,-0.4963293732,0.0,-0.0590298869,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Os-Pu,24.0,A4BC_oP24_55_4h_g_g:B-Os-Pu +mp-1102201,PuB4Os,-9.1984241358,-0.4962953286,3.40446e-05,-0.0589958424,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Os-Pu,12.0,A4BC_oC24_65_gip_h_j:B-Os-Pu +mp-1217341,ThUAl6,-5.3895465575,-0.2422061525,0.0333937328,0.0333937328,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-Th-U,8.0,A6BC_hP8_187_jk_a_d:Al-Th-U +mp-1215589,Zr3AlN4,-9.44269902,-1.6008668425,0.1903435719,0.1903435719,GGA,P4/mmm,AB4C3_tP8_123_a_cdg_bh:Al-N-Zr,8.0,"Invalid WP multiplicities - AB4C3_tP8_123_a_cd2g_b2h:Al-N-Zr, expected Zr5AlN6 to be Zr3AlN4" +mp-4678,Zr2AlN,-8.4617935625,-1.1674255587,0.0206365221,0.0206365221,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-N-Zr,8.0,ABC2_hP8_194_c_a_f:Al-N-Zr +mp-1215334,ZrAl3N4,-7.8995423225,-1.258241345,0.3950934631,0.3950934631,GGA,Pmmm,A3B4C_oP8_47_al_cdk_b:Al-N-Zr,8.0,"Invalid WP multiplicities - A3B4C_oP8_47_a2l_cd2k_b:Al-N-Zr, expected ZrAl5N6 to be ZrAl3N4" +mp-1215288,ZrAlN2,-8.48908786,-1.2475212825,0.4747513288,0.4747513288,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Al-N-Zr,4.0,AB2C_tP4_123_a_bc_d:Al-N-Zr +mp-27898,Zr3AlN,-8.585571392,-1.040536863,0.0,-0.0437379453,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Al-N-Zr,10.0,ABC3_oC20_63_c_a_cf:Al-N-Zr +mp-1207406,Zr5Al3N,-7.676019605,-0.7524945422,0.0414626459,0.0414626459,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Al-N-Zr,18.0,A3BC5_hP18_193_g_b_dg:Al-N-Zr +mp-1186346,NpSnO3,-8.351908698,-1.992425164,0.8209416810000001,0.8209416810000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Sn,5.0,AB3C_cP5_221_a_c_b:Np-O-Sn +mp-1224272,HfTeS,-7.2396596067,-1.4940113433,0.0141986633,0.0141986633,GGA,P3m1,ABC_hP3_156_a_b_c:Hf-S-Te,3.0,ABC_hP3_156_a_b_c:Hf-S-Te +mp-1086660,Nb2FeB2,-8.988322095000001,-0.5820391287000001,0.0497876473,0.0497876473,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Fe-Nb,10.0,A2BC2_tP10_127_g_a_h:B-Fe-Nb +mp-21666,Nb3(Fe10B3)2,-8.5287274152,-0.2604277619,0.0025725822,0.0025725822,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Fe-Nb,29.0,"Invalid WP multiplicities - A6B20C3_cF116_225_e_f2h_ac:B-Fe-Nb, expected Nb3(Fe16B3)2 to be Nb3(Fe10B3)2" +mp-7705,NbFeB,-8.54028398,-0.1233779731,0.4165741356,0.389714545,GGA,P-6m2,ABC_hP3_187_a_c_f:B-Fe-Nb,3.0,ABC_hP3_187_a_c_f:B-Fe-Nb +mp-1080817,NbFeB,-8.9568581156,-0.5399521086,0.0,-0.0268595906,GGA,P-62m,ABC_hP9_189_ad_g_f:B-Fe-Nb,9.0,ABC_hP9_189_ad_g_f:B-Fe-Nb +mp-1205377,NbFeB,-7.9312916733,0.4856143336,1.0255664422,0.9987068517,GGA,P-62m,ABC_hP9_189_ac_g_g:B-Fe-Nb,9.0,ABC_hP9_189_ac_g_g:B-Fe-Nb +mp-556978,Na2S,-3.4523073958,-1.1918072446,0.0395934075,-0.4728857039,GGA,Pnma,A2B_oP12_62_2c_c:Na-S,12.0,"Invalid WP multiplicities - A2B_oP12_62_6c_c:Na-S, expected Na6S to be Na2S" +mp-8374,Na2S,-3.388766175,-1.1282660237,0.1031346283,-0.409344483,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Na-S,6.0,A2B_hP6_194_ac_d:Na-S +mp-648,Na2S,-3.4919008033,-1.2314006521,0.0,-0.5124791114,GGA,Fm-3m,A2B_cF12_225_c_a:Na-S,3.0,A2B_cF12_225_c_a:Na-S +mp-12180,NaS2,-4.1151459158,-0.9166709068,0.0,-0.0139522478,GGA,I-42d,AB2_tI48_122_cd_2e:Na-S,24.0,AB2_tI48_122_cd_2e:Na-S +mp-1180106,NaS,-2.801804805,-0.0723172248,1.0060650863,1.0017185546,GGA,C2/m,AB_mC4_12_a_c:Na-S,2.0,AB_mC4_12_a_c:Na-S +mp-409,NaS,-3.8056598283,-1.0761722482,0.0022100629,-0.0021364688,GGA,P-62m,AB_hP12_189_fg_eh:Na-S,12.0,AB_hP12_189_fg_eh:Na-S +mp-2400,NaS,-3.8078698913,-1.0783823111,0.0,-0.0043465317,GGA,P6_3/mmc,AB_hP8_194_ac_f:Na-S,8.0,AB_hP8_194_ac_f:Na-S +mp-1058159,NaS,-3.43261417,-0.7031265898,0.3752557213,0.3709091896,GGA,Pm-3m,AB_cP2_221_a_b:Na-S,2.0,AB_cP2_221_a_b:Na-S +mp-1058171,NaS,-3.30296392,-0.5734763398,0.5049059712,0.5005594396,GGA,Fm-3m,AB_cF8_225_a_b:Na-S,2.0,AB_cF8_225_a_b:Na-S +mp-28127,Na2S5,-4.1850004614,-0.8525290441000001,0.0,-0.066811124,GGA,Pnma,A2B5_oP28_62_ac_c2d:Na-S,28.0,A2B5_oP28_62_ac_c2d:Na-S +mp-10246,Na2PtS2,-4.459154771,-1.0613380429,0.0,-0.059043671,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Na-Pt-S,10.0,A2BC2_oC20_36_2a_a_2a:Na-Pt-S +mp-1207972,U2Ti3Ge4,-7.6983825694,-0.5026706261,0.0136314634,0.0136314634,GGA,P2_1/c,A4B3C2_mP18_14_2e_ae_e:Ge-Ti-U,18.0,A4B3C2_mP18_14_2e_ae_e:Ge-Ti-U +mp-541856,U3TiGe5,-7.6129677689,-0.4035387331,0.0,-0.0502493116,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ge-Ti-U,18.0,A5BC3_hP18_193_dg_b_g:Ge-Ti-U +mp-978967,SrDy3,-3.6653162575,0.2121472358,0.2121472358,0.2121472358,GGA,I4/mmm,A3B_tI8_139_ad_b:Dy-Sr,4.0,A3B_tI8_139_ad_b:Dy-Sr +mp-1187112,Sr3Dy,-2.20413717,0.21467963,0.21467963,0.21467963,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Sr,8.0,AB3_hP8_194_c_h:Dy-Sr +mp-980666,Sr(DyS2)2,-6.3338660286,-2.4125993713,0.0,-0.0353494457,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Dy-S-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Dy-S-Sr +mp-38240,Sr(PrS2)2,-6.3379935079,-2.3669785892,0.0,-1.89286e-05,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-S-Sr,14.0,A2B4C_tI28_122_d_e_a:Pr-S-Sr +mp-1245699,TiMnN2,-9.5584031781,-1.1257788884,0.0618109119,0.0618109119,GGA,Pnma,AB2C_oP16_62_c_2c_c:Mn-N-Ti,16.0,AB2C_oP16_62_c_2c_c:Mn-N-Ti +mp-1246293,TiMnN2,-9.460011065,-1.0273867753,0.160203025,0.160203025,GGA,P-3m1,AB2C_hP4_164_a_d_b:Mn-N-Ti,,AB2C_hP4_164_a_d_b:Mn-N-Ti +mp-1245741,Ti(MnN)4,-9.2441374194,-0.5897448767,0.1789328475,0.1789328475,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mn-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Mn-N-Ti +mp-21028,Er3TlC,-3.430886724,1.6280062898,1.942665544,1.942665544,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Er-Tl,5.0,AB3C_cP5_221_a_c_b:C-Er-Tl +mp-1026465,Mg14SbC,-2.0513701619,0.1837290527,0.2713125506,0.2713125506,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Sb, expected Mg18SbC to be Mg14SbC" +mp-1026411,Mg14SbC,-1.9818387112,0.2532605033,0.3408440012,0.3408440012,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Sb, expected Mg26SbC to be Mg14SbC" +mp-1017117,Mg6SbC,-2.5441061438,0.3258122353,0.4781214174,0.4781214174,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Sb, expected Mg12SbC to be Mg6SbC" +mp-1017119,Mg6SbC,-2.3457233319,0.5241950472,0.6765042293,0.6765042293,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Sb, expected Mg12SbC to be Mg6SbC" +mp-973974,K3Mo,-2.375650175,1.1685615627,1.1685615627,1.1685615627,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Mo,4.0,A3B_tI8_139_ad_b:K-Mo +mp-1184848,K3Mo,-2.3623733125,1.1818384252,1.1818384252,1.1818384252,GGA,Pm-3m,A3B_cP4_221_c_a:K-Mo,4.0,A3B_cP4_221_c_a:K-Mo +mp-1184863,K3Mo,-2.377951095,1.1662606427,1.1662606427,1.1662606427,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Mo,4.0,A3B_cF16_225_ac_b:K-Mo +mp-631329,KMoRu2,-6.2081336475,1.4180798868,1.4588049559,1.4588049559,GGA,F-43m,ABC2_cF16_216_a_c_bd:K-Mo-Ru,4.0,ABC2_cF16_216_a_c_bd:K-Mo-Ru +mp-1245530,LiRuN2,-7.11762225,-0.1535434358,0.1848038794,0.1848038794,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Li-N-Ru,16.0,AB2C_oP16_33_a_2a_a:Li-N-Ru +mp-1246641,LiRuN2,-7.0666561478,-0.1025773336,0.2357699816,0.2357699816,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Li-N-Ru,64.0,AB2C_oP64_61_2c_4c_2c:Li-N-Ru +mp-1245526,LiRuN2,-7.1319894138,-0.1679105996,0.1704367156,0.1704367156,GGA,I-42d,AB2C_tI16_122_a_d_b:Li-N-Ru,8.0,AB2C_tI16_122_a_d_b:Li-N-Ru +mp-1029251,LiRuN,-6.872649915,-0.3660431378,0.0,-0.0266100657,GGA,Pnma,ABC_oP12_62_c_c_c:Li-N-Ru,12.0,ABC_oP12_62_c_c_c:Li-N-Ru +mp-1030649,Li6RuN4,-5.4175786223,-0.5017677641,0.0,-0.0499538723,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-Ru,22.0,A6B4C_tP22_137_df_g_a:Li-N-Ru +mp-1246339,Li3RuN2,-5.1802406404,0.0987861913,0.558739975,0.558739975,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-Ru,24.0,A3B2C_tI48_141_eg_h_e:Li-N-Ru +mp-1247350,Li3RuN2,-5.5907664652,-0.3117396335,0.1482141502,0.1482141502,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Ru,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Ru +mp-1245909,LiRu2N3,-7.5901725583,-0.0123037714,0.2558044133,0.2558044133,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Ru,12.0,AB3C2_oC24_36_a_ab_b:Li-N-Ru +mp-1246439,Li2RuN2,-6.163530366,-0.2104827413,0.210141978,0.210141978,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Ru,5.0,A2B2C_hP5_164_d_d_a:Li-N-Ru +mp-1245358,Li7RuN4,-5.1265490574,-0.4613121985,0.0234920693,0.0234920693,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Ru,96.0,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Ru +mp-1208159,Tl4GeI6,-2.8895291736,-0.8064565789,0.0163635555,0.0163635555,GGA,P4/mnc,AB6C4_tP22_128_a_eh_g:Ge-I-Tl,22.0,AB6C4_tP22_128_a_eh_g:Ge-I-Tl +mp-29288,TlGeI3,-2.999773986,-0.7186199757,0.016525642,0.016525642,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ge-I-Tl,20.0,AB3C_oP20_62_c_3c_c:Ge-I-Tl +mp-557806,Er2Tc2O7,-8.6166498286,-2.7545101478,0.11772301,0.11772301,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Tc,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Er-O-Tc, expected ErTcO7 to be Er2Tc2O7" +mp-1095127,USbRu,-8.5609554467,-0.32935085,0.0358400467,0.0358400467,GGA,P-62m,ABC_hP9_189_ad_g_f:Ru-Sb-U,9.0,ABC_hP9_189_ad_g_f:Ru-Sb-U +mp-505019,USb2Ru,-7.6325502525,-0.426596495,0.0,-0.0554467182,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ru-Sb-U,8.0,AB2C_tP8_129_a_bc_c:Ru-Sb-U +mp-23452,Sn3BrF5,-4.9103034475000005,-2.3392880328,0.0007419507,0.0007419507,GGA,P2_1/c,AB5C3_mP36_14_e_5e_3e:Br-F-Sn,36.0,AB5C3_mP36_14_e_5e_3e:Br-F-Sn +mp-989193,SnBrF,-4.3404662767,-1.8491065592,0.0316663596,0.0316663596,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-F-Sn,6.0,ABC_tP6_129_c_a_c:Br-F-Sn +mp-998417,CsSrI3,-3.293743324,-1.8927443489,0.031693018,0.0099199172,GGA,Cm,AB3C_mC10_8_a_ab_a:Cs-I-Sr,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Cs-I-Sr, expected CsSrI5 to be CsSrI3" +mp-1080232,CsSrI3,-3.325436342,-1.9244373669,0.0,-0.0217731008,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Cs-I-Sr,10.0,AB3C_oC20_63_c_cf_a:Cs-I-Sr +mp-1213276,CsSr2I5,-3.3932937641,-1.9381411355,0.0131098425,0.0131098425,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cs-I-Sr,32.0,AB5C2_mP32_14_e_5e_2e:Cs-I-Sr +mp-1207003,La2Cu2I,-4.59888853,-0.69012975,0.0,-0.0442119383,GGA,P-6m2,A2BC2_hP5_187_ac_b_i:Cu-I-La,5.0,A2BC2_hP5_187_ac_b_i:Cu-I-La +mp-1207039,La2Cu2I,-4.594939725,-0.686180945,0.003948805,-0.0402631333,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Cu-I-La,10.0,A2BC2_hP10_194_f_c_e:Cu-I-La +mp-973109,NdYIr2,-7.89384269,-0.6659709635000001,0.0752056414,0.0752056414,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Nd-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Nd-Y +mp-1072756,UCuSn,-6.5174658283,-0.0507363167,0.0095253502,0.0095253502,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Sn-U,6.0,ABC_hP6_194_c_d_a:Cu-Sn-U +mp-1189666,U3Cu3Sn4,-6.252168986,-0.03115524,0.0411587603,0.0411587603,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Cu-Sn-U,20.0,A3B4C3_cI40_220_a_c_b:Cu-Sn-U +mp-1080074,UCu2Sn,-5.6822498425,0.1925989588,0.2377952089,0.2377952089,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Cu-Sn-U,8.0,A2BC_hP8_194_f_c_a:Cu-Sn-U +mp-1080696,U(CuSn)2,-5.483323322,0.01847009,0.0907840903,0.0907840903,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Cu-Sn-U,10.0,A2B2C_tP10_129_ac_bc_c:Cu-Sn-U +mp-542750,UCu5Sn,-5.0876639504,0.0261953661,0.0520217947,0.0520217947,GGA,P6_3/mmc,A5BC_hP28_194_bcfk_f_ad:Cu-Sn-U,28.0,A5BC_hP28_194_bcfk_f_ad:Cu-Sn-U +mp-1246581,Ca2PdN2,-5.850057388,-0.6772431040000001,0.0984740739,0.0984740739,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ca-N-Pd,5.0,A2B2C_tI10_139_e_e_a:Ca-N-Pd +mp-1246232,Ca(PdN)2,-5.841774922,-0.034104252,0.464890276,0.464890276,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-N-Pd,5.0,AB2C2_hP5_164_a_d_d:Ca-N-Pd +mp-631489,Be2CdP,-2.73359379,0.7201607092,0.8653044973,0.8653044973,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Be-Cd-P,4.0,A2BC_cF16_225_c_a_b:Be-Cd-P +mp-1188875,Te6IrI3,-3.543433746,-0.331596887,0.0528711416,0.0528711416,GGA,R-3c,A3BC6_hR60_167_e_a_f:I-Ir-Te,20.0,A3BC6_hR60_167_e_a_f:I-Ir-Te +mp-1193838,Te8IrI5,-3.2719475332,-0.318253742,0.0411403897,0.0411403897,GGA,P-1,A5BC8_aP28_2_5i_i_8i:I-Ir-Te,28.0,A5BC8_aP28_2_5i_i_8i:I-Ir-Te +mp-1246254,Ba8(MnN3)3,-6.6949368769,-0.8016218908,0.0121313071,0.0121313071,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Ba-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Ba-Mn-N +mp-1247370,Ba2MnN2,-6.484795206,-0.5502042016,0.2075840921,0.2075840921,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Mn-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Mn-N +mp-1194459,BaMn28,-8.7117176224,0.2005376575,0.2005376575,0.2005376575,GGA,I-43m,AB28_cI58_217_a_c2g:Ba-Mn,29.0,AB28_cI58_217_a_c2g:Ba-Mn +mp-1029775,BaMnN2,-7.7863237844,-0.8478287639000001,0.0,-0.1667191577,GGA,Cmce,ABC2_oC32_64_f_f_ef:Ba-Mn-N,16.0,ABC2_oC32_64_f_f_ef:Ba-Mn-N +mp-1246276,Ba(MnN)2,-7.774180324,-0.3909812492,0.2872817619,0.2872817619,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Mn-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Mn-N +mp-1246182,Ba(MnN)2,-7.748554736,-0.3653556612,0.3129073499,0.3129073499,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Mn-N,5.0,AB2C2_hP5_164_a_d_d:Ba-Mn-N +mp-1245357,Ba(MnN2)2,-8.2514999993,-0.5959306816000001,0.0543606681,0.0543606681,GGA,Pa-3,AB2C4_cP84_205_ac_d_2d:Ba-Mn-N,84.0,AB2C4_cP84_205_ac_d_2d:Ba-Mn-N +mp-1247122,Ba3(MnN2)2,-6.9602558239,-0.5794852568000001,0.2183210237,0.2183210237,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Mn-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Mn-N +mp-1246671,Ba3(MnN2)2,-7.0408478975,-0.6600773304,0.1377289501,0.1377289501,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Mn-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Mn-N +mp-1245975,Ba8Mn3N8,-6.5023568268,-0.7376302586,0.0600416295,0.0600416295,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Ba-Mn-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Ba-Mn-N +mp-9324,Ba3MnN3,-6.5159767271,-0.811916029,0.0,-0.0484666092,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Mn-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Mn-N +mp-1247297,Ba3Mn3N5,-7.4824915264,-0.6710874063000001,0.1177399433,0.1177399433,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Mn-N +mp-1246840,Ba4MnN4,-6.2684570472,-0.6924687414,0.0810610537,0.0810610537,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ba-Mn-N,18.0,A4BC4_aP18_2_4i_i_4i:Ba-Mn-N +mp-1183323,Ba3Mn,-3.261392605,0.468342423,0.468342423,0.468342423,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Mn,4.0,A3B_cF16_225_ac_b:Ba-Mn +mp-1183436,BeInO3,-5.796295332,-1.5300627862,0.7102473781,0.7102473781,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-In-O,5.0,ABC3_cP5_221_b_a_c:Be-In-O +mp-1247441,Zr(CoN)2,-8.472165408,-0.5847001940000001,0.220590496,0.220590496,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Co-N-Zr,5.0,A2B2C_hP5_164_d_d_a:Co-N-Zr +mp-1246090,Zr(CoN)4,-8.0943638672,-0.2802581439,0.2007747913,0.2007747913,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Co-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Co-N-Zr +mp-1193346,Zr4Co2N,-8.8678398129,-0.7615636650000001,0.0,-0.0227537114,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Co-N-Zr,28.0,A2BC4_cF112_227_e_c_df:Co-N-Zr +mp-1246862,ZrCoN2,-8.891883998800001,-0.80963193,0.1960674317,0.1960674317,GGA,Pnma,AB2C_oP16_62_c_2c_c:Co-N-Zr,16.0,AB2C_oP16_62_c_2c_c:Co-N-Zr +mp-624,B6As,-6.5610954207,-0.1703141307,0.0,-0.1648969473,GGA,R-3m,AB6_hR42_166_c_2h:As-B,14.0,"Invalid WP multiplicities - AB6_hR42_166_c_3h:As-B, expected B9As to be B6As" +mp-1061023,RbB,-1.6576485,2.1723144217,2.1723144217,2.1723144217,GGA,Fm-3m,AB_cF8_225_a_b:B-Rb,2.0,AB_cF8_225_a_b:B-Rb +mp-984718,BAs,-5.6790875825,-0.0098324946,0.089517415,0.089517415,GGA,P6_3mc,AB_hP4_186_b_b:As-B,4.0,AB_hP4_186_b_b:As-B +mp-10044,BAs,-5.68821523,-0.0189601421,0.0803897675,0.0803897675,GGA,F-43m,AB_cF8_216_a_c:As-B,2.0,AB_cF8_216_a_c:As-B +mp-9718,Rb3BAs2,-3.4852624583000003,-0.3287239919,0.0,-0.0225608741,GGA,C2/c,A2BC3_mC24_15_f_e_ef:As-B-Rb,12.0,A2BC3_mC24_15_f_e_ef:As-B-Rb +mp-1215481,YbSmB12,-6.6404624207000005,-0.4682555875,0.0,-0.0105674357,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Sm-Yb,,A12BC_cF56_225_g_a_b:B-Sm-Yb +mp-865404,Tm3ReB7,-7.2682305605,-0.6657054831,0.0,-0.0165615181,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Re-Tm,22.0,A7BC3_oC44_63_c3f_c_cf:B-Re-Tm +mp-1195760,Tm2ReB6,-7.5067745919,-0.6764914079000001,0.0,-0.0586794959,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Re-Tm,36.0,A6BC2_oP36_55_6h_g_2g:B-Re-Tm +mp-1207578,YbCrB4,-6.7732362804,-0.4548658082,0.0149142581,0.0149142581,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Yb,,A4BC_oP24_55_4h_g_g:B-Cr-Yb +mp-568927,AgI,-2.545618395,-0.3926572183,0.103210095,-0.1400424417,GGA,P2_1/m,AB_mP4_11_e_e:Ag-I,4.0,AB_mP4_11_e_e:Ag-I +mp-684580,AgI,-2.64737652,-0.4944153433,0.00145197,-0.2418005667,GGA,I-4m2,AB_tI4_119_a_c:Ag-I,2.0,AB_tI4_119_a_c:Ag-I +mp-567809,AgI,-2.62402188,-0.4710607033,0.02480661,-0.2184459267,GGA,P4/nmm,AB_tP4_129_a_c:Ag-I,4.0,AB_tP4_129_a_c:Ag-I +mp-1182980,AgI,-1.827614475,0.3253467017,0.821214015,0.5779614783,GGA,P6mm,AB_hP2_183_a_a:Ag-I,2.0,AB_hP2_183_a_a:Ag-I +mp-580941,AgI,-2.6014674875,-0.4485063108,0.0473610025,-0.1958915342,GGA,P6_3mc,AB_hP8_186_ab_ab:Ag-I,8.0,AB_hP8_186_2ab_2ab:Ag-I +mp-22894,AgI,-2.6476728325,-0.4947116558,0.0011556575,-0.2420968792,GGA,P6_3mc,AB_hP4_186_b_b:Ag-I,4.0,AB_hP4_186_b_b:Ag-I +mp-22925,AgI,-2.64882849,-0.4958673133,0.0,-0.2432525367,GGA,F-43m,AB_cF8_216_a_c:Ag-I,2.0,AB_cF8_216_a_c:Ag-I +mp-22915,AgI,-2.258497785,-0.1055366083,0.390330705,0.1470781683,GGA,Pm-3m,AB_cP2_221_a_b:Ag-I,2.0,AB_cP2_221_a_b:Ag-I +mp-22919,AgI,-2.556218125,-0.4032569483,0.092610365,-0.1506421717,GGA,Fm-3m,AB_cF8_225_a_b:Ag-I,2.0,AB_cF8_225_a_b:Ag-I +mp-33154,AgI2,-2.26324927,-0.3368197022,0.0,-0.0062414933,GGA,P-4m2,AB2_tP3_115_a_g:Ag-I,3.0,AB2_tP3_115_a_g:Ag-I +mp-1104888,Zn(AgI2)2,-2.4998362143,-0.6686474976,0.0029655796,0.0029655796,GGA,Pmn2_1,A2B4C_oP14_31_b_2ab_a:Ag-I-Zn,14.0,A2B4C_oP14_31_b_2ab_a:Ag-I-Zn +mp-1197029,Sm6Al43W4,-4.8290210163000005,-0.2780059518,0.0,-0.0036467544,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-W +mp-1197936,U(Zn10Fe)2,-2.37362527,-0.0507415904,0.0,-0.0035011574,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Fe-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Fe-U-Zn +mp-1215306,ZrAlV,-7.4009311858,-0.2752036758,0.0486180539,0.0486180539,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-V-Zr, expected Zr3(AlV)2 to be ZrAlV" +mp-1206767,AlFe3N,-7.808947494,-0.310520617,0.323238185,0.323238185,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Fe-N,5.0,AB3C_cP5_221_a_c_b:Al-Fe-N +mp-1245637,AlFeN2,-7.8211212619,-0.5989745394,0.3505423819,0.3505423819,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Fe-N,16.0,ABC2_oP16_33_a_a_2a:Al-Fe-N +mp-1246607,AlFeN2,-7.8060258572,-0.5838791347,0.3656377866,0.3656377866,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-Fe-N,64.0,ABC2_oP64_61_2c_2c_4c:Al-Fe-N +mp-1245631,AlFeN2,-7.8417161975,-0.619569475,0.3299474462,0.3299474462,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Fe-N,8.0,ABC2_tI16_122_a_b_d:Al-Fe-N +mp-1245423,Al2FeN3,-7.7531477508,-0.92470481,0.2364388058,0.2364388058,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Al-Fe-N,12.0,A2BC3_oC24_36_b_a_ab:Al-Fe-N +mp-1246890,AlFe2N3,-8.0596754708,-0.4438249667,0.29406526,0.29406526,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Al-Fe-N,12.0,AB2C3_oC24_36_a_b_ab:Al-Fe-N +mp-866164,YMgHg2,-2.6332976075,-0.4647696342,0.0,-0.0984876493,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Mg-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Mg-Y +mp-1097221,Y2MgHg,-1.677723425,2.0315022354,2.3450340875,2.3450340875,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Mg-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Mg-Y +mp-1187740,Y2MgHg,-4.0009937075,-0.2917680471,0.021763805,0.021763805,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Mg-Y,4.0,ABC2_cF16_225_a_b_c:Hg-Mg-Y +mp-722913,Hf3Zn3N,-6.7716162782,-0.7734315861000001,0.0,-0.0442865506,GGA,Fd-3m,A3BC3_cF112_227_f_c_de:Hf-N-Zn,28.0,A3BC3_cF112_227_f_c_de:Hf-N-Zn +mp-1014251,HfZnN2,-8.143722755,-1.1712421325,0.0,-0.0669532119,GGA,P3m1,AB2C_hP4_156_b_ac_a:Hf-N-Zn,4.0,AB2C_hP4_156_b_ac_a:Hf-N-Zn +mp-1014252,Hf3ZnN,-8.856497972,-0.962936847,0.0,-0.0491185741,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Hf-N-Zn,10.0,A3BC_oC20_63_cf_a_c:Hf-N-Zn +mp-1016107,Hf6Zn6N,-6.3399540546,-0.5216393804,0.0,-0.0132227282,GGA,Fd-3m,A6BC6_cF104_227_f_a_de:Hf-N-Zn,26.0,A6BC6_cF104_227_f_a_de:Hf-N-Zn +mp-36358,Ca(GdS2)2,-9.038423235,-2.3664741168,0.0202698396,0.0202698396,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Gd-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Gd-S +mp-1227084,CaGdS2,-8.419822285,-2.3311668216,0.024963825,0.024963825,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Gd-S,4.0,ABC2_tP4_123_a_d_bc:Ca-Gd-S +mp-695771,Eu(Ni3S4)2,-6.0015120667,-0.7995506790000001,0.0791344337,0.0791344337,GGA,R-3,AB6C8_hR45_148_a_f_cf:Eu-Ni-S,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_c2f:Eu-Ni-S, expected Eu(Ni3S7)2 to be Eu(Ni3S4)2" +mp-22630,Sc2PbS4,-6.501701565,-1.7983608868,0.0076750004,0.0076750004,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-S-Sc,28.0,AB4C2_oP28_62_c_4c_2c:Pb-S-Sc +mp-556324,NiF2,-5.5186120783,-2.31758054,0.001769425,-0.6889474339,GGA+U,Pnnm,A2B_oP6_58_g_a:F-Ni,6.0,A2B_oP6_58_g_a:F-Ni +mp-559798,NiF2,-5.5203815033,-2.319349965,0.0,-0.6907168589,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:F-Ni,6.0,A2B_tP6_136_f_a:F-Ni +mp-558838,NiPtF6,-4.836263255,-1.9212452794,0.0,-0.0700833269,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Ni-Pt,8.0,A6BC_hR24_148_f_a_b:F-Ni-Pt +mp-1406123,NiF4,-3.977881464,-1.292670954,0.1730988415,0.1730988415,GGA+U,I4/mcm,A4B_tI20_140_l_d:F-Ni,10.0,A4B_tI20_140_l_d:F-Ni +mp-1180654,NiF3,-4.6350536388,-1.7564102431,0.0758020012,-0.0168977694,GGA+U,P-1,A3B_aP8_2_3i_ae:F-Ni,8.0,"Invalid WP multiplicities - A3B_aP8_2_6i_ae:F-Ni, expected NiF6 to be NiF3" +mp-614777,NiF3,-4.62916333,-1.7505199344,0.08169231,-0.0110074606,GGA+U,R-3,A3B_hR24_148_f_ab:F-Ni,8.0,A3B_hR24_148_f_ab:F-Ni +mp-561428,NiF3,-4.71085564,-1.8322122444,0.0,-0.0926997706,GGA+U,R-3c,A3B_hR24_167_e_b:F-Ni,8.0,A3B_hR24_167_e_b:F-Ni +mp-1187865,YTmRu2,-7.7177613325,-0.3449834283,0.0213964105,0.0213964105,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Ru-Tm-Y +mp-1187623,TlTcO3,-7.017188586,-1.5045189409000002,0.0359791223,0.0359791223,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Tc-Tl,5.0,A3BC_cP5_221_c_b_a:O-Tc-Tl +mp-1208055,TlTcO2,-6.4544985825,-0.800333704,0.6128259673,0.6128259673,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Tc-Tl,16.0,A2BC_tI32_141_h_c_d:O-Tc-Tl +mp-1217233,U2(SnPb)3,-5.6887647138,0.0299198856,0.0977142609,0.0977142609,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Pb-Sn-U,8.0,A3B3C2_oP8_47_aj_bgh_k:Pb-Sn-U +mp-861666,LiRu2W,-8.415203775,-0.0612392308,0.0,-0.0149119192,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ru-W,4.0,AB2C_cF16_225_a_c_b:Li-Ru-W +mp-973554,K3Sm,-1.4472821125,0.5651636315,0.5651636315,0.5651636315,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Sm,4.0,A3B_tI8_139_ad_b:K-Sm +mp-976221,K3Sm,-1.4531092688,0.5593364752000001,0.5593364752000001,0.5593364752000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Sm,8.0,A3B_hP8_194_h_c:K-Sm +mp-1185056,KSm,-2.44535597,0.469136571,0.469136571,0.469136571,GGA,P-6m2,AB_hP2_187_a_d:K-Sm,2.0,AB_hP2_187_a_d:K-Sm +mp-1211642,KSm2Br5,-4.2947491356,-2.0056600272,0.1020791417,0.1020791417,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-K-Sm,32.0,A5BC2_mP32_14_5e_e_2e:Br-K-Sm +mp-1211730,K2SmBr5,-4.08776708,-2.2497013701,0.0,-0.0349168337,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-K-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Br-K-Sm +mp-1185088,KSm3,-3.3348380675,0.4817012705,0.4817012705,0.4817012705,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Sm,4.0,AB3_tI8_139_a_bd:K-Sm +mp-1204051,Na2O9,-4.7741202582,-0.4863703502,0.0122181578,0.0122181578,GGA,P2_1/c,A2B9_mP44_14_2e_9e:Na-O,44.0,A2B9_mP44_14_2e_9e:Na-O +mp-22464,NaO3,-4.64238078,-0.6017329232,0.0838262753,0.0838262753,GGA,Imm2,AB3_oI8_44_a_ac:Na-O,4.0,"Invalid WP multiplicities - AB3_oI8_44_a_a2c:Na-O, expected NaO5 to be NaO3" +mp-1180226,Na2O2,-4.1636807588,-1.0290737564,0.2792565279,0.1474455962,GGA,Pbcm,AB_oP8_57_c_d:Na-O,8.0,AB_oP8_57_c_d:Na-O +mp-1094115,Na2O2,-4.229300845,-1.0946938427,0.2136364417,0.08182551,GGA,Cmcm,AB_oC8_63_c_c:Na-O,4.0,AB_oC8_63_c_c:Na-O +mp-1237667,Na2O2,-4.188076315,-1.0534693127,0.2548609717,0.12305004,GGA,R-3m,AB_hR6_166_a_b:Na-O,2.0,AB_hR6_166_a_b:Na-O +mp-2340,Na2O2,-4.4429372867,-1.3083302843,0.0,-0.1318109317,GGA,P-62m,AB_hP12_189_fg_eh:Na-O,12.0,AB_hP12_189_fg_eh:Na-O +mp-1061395,Na2O2,-4.201054935,-1.0664479327,0.2418823517,0.11007142,GGA,Pm-3m,AB_cP2_221_a_b:Na-O,2.0,AB_cP2_221_a_b:Na-O +mp-865120,NaPaO3,-8.586671646,-3.4512204286,0.0,-0.5078798553,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Pa,5.0,AB3C_cP5_221_a_c_b:Na-O-Pa +mp-1173794,Na6O,-2.3124971986,-0.472234274,0.144462772,0.144462772,GGA,Cmm2,A6B_oC42_35_ab2c2d2f_ad:Na-O,21.0,"Invalid WP multiplicities - A6B_oC42_35_ab4c4d6f_ad:Na-O, expected Na14O to be Na6O" +mp-1180210,NaO5,-4.445372445,-0.1027109701,0.3543284956,0.3543284956,GGA,C2/m,AB5_mC24_12_i_5i:Na-O,12.0,AB5_mC24_12_i_5i:Na-O +mp-1180536,NaO8,-4.6116898453,-0.0676859582,0.2370070189,0.2370070189,GGA,P2_1/c,AB8_mP36_14_e_8e:Na-O,36.0,AB8_mP36_14_e_8e:Na-O +mp-1201981,NaO8,-4.6652677633,-0.1212638763,0.1834291008,0.1834291008,GGA,P2_1/c,AB8_mP36_14_e_8e:Na-O,36.0,AB8_mP36_14_e_8e:Na-O +mp-614,NaO2,-4.6329003917,-0.894266153,0.0198127783,-0.0164863104,GGA,Pa-3,AB2_cP12_205_a_c:Na-O,12.0,AB2_cP12_205_a_c:Na-O +mp-1901,NaO2,-4.65271317,-0.9140789314,0.0,-0.0362990887,GGA,Pnnm,AB2_oP6_58_a_g:Na-O,6.0,AB2_oP6_58_a_g:Na-O +mp-1180165,NaO2,-4.5761784221,-0.8375441834,0.0765347479,0.0402356592,GGA,Pbca,AB2_oP24_61_c_2c:Na-O,24.0,AB2_oP24_61_c_2c:Na-O +mp-1180346,NaO2,-4.6307413346,-0.8921070959,0.0219718354,-0.0143272533,GGA,Pbca,AB2_oP24_61_c_2c:Na-O,24.0,AB2_oP24_61_c_2c:Na-O +mp-1238787,NaO2,-4.5879223567,-0.849288118,0.0647908133,0.0284917246,GGA,P4_2/mnm,AB2_tP6_136_a_f:Na-O,6.0,AB2_tP6_136_a_f:Na-O +mp-1220954,NaO2,-4.5378103467,-0.799176108,0.1149028233,0.0786037346,GGA,R-3m,AB2_hR9_166_a_c:Na-O,3.0,AB2_hR9_166_a_c:Na-O +mp-1245205,Na2O,-3.7032587993,-1.1726790333,0.2662807407,-0.2545268871,GGA,P1,A2B_aP102_1_68a_34a:Na-O,102.0,A2B_aP102_1_68a_34a:Na-O +mp-1245278,Na2O,-3.8226474005,-1.2920676344,0.1468921395,-0.3739154883,GGA,P1,A2B_aP102_1_68a_34a:Na-O,102.0,A2B_aP102_1_68a_34a:Na-O +mp-2352,Na2O,-3.96953954,-1.438959774,0.0,-0.5208076278,GGA,Fm-3m,A2B_cF12_225_c_a:Na-O,3.0,A2B_cF12_225_c_a:Na-O +mp-755072,Na2O,-3.93307208,-1.402492314,0.03646746,-0.4843401678,GGA,Pnnm,A2B_oP6_58_g_a:Na-O,6.0,A2B_oP6_58_g_a:Na-O +mp-776952,Na2O,-3.8900209889,-1.3594412228,0.0795185511,-0.4412890767,GGA,P3,A2B_hP9_143_2d_abc:Na-O,9.0,"Invalid WP multiplicities - A2B_hP9_143_5d_abc:Na-O, expected Na5O to be Na2O" +mp-1974948,Na2O,-3.8928852044,-1.3623054384,0.0766543356,-0.4441532922,GGA,P321,A2B_hP9_150_ef_ad:Na-O,9.0,"Invalid WP multiplicities - A2B_hP9_189_2f3g_b2c:Na-O, expected Na3O to be Na2O" +mp-755413,Na2O,-3.8905665617,-1.3599867956,0.0789729783,-0.4418346494,GGA,R-3m,A2B_hR18_166_2c_c:Na-O,6.0,"Invalid WP multiplicities - A2B_hR18_166_3c_c:Na-O, expected Na3O to be Na2O" +mp-1119338,Na2O,-3.8917373133,-1.3611575473,0.0778022267,-0.4430054011,GGA,P-62m,A2B_hP9_189_fg_ad:Na-O,9.0,"Invalid WP multiplicities - A2B_hP9_189_2f3g_b2c:Na-O, expected Na3O to be Na2O" +mp-31057,Ho3InN,-6.045183208,-1.078102155,0.0,-0.103378734,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ho-In-N,5.0,A3BC_cP5_221_c_a_b:Ho-In-N +mp-1215737,Zr2Al3C4,-7.4800192394,-0.2303758261,0.2236848322,0.2143214723,GGA,P-3m1,A3B4C2_hP18_164_2cd_ab3d_2d:Al-C-Zr,18.0,A3B4C2_hP18_164_2cd_ab3d_2d:Al-C-Zr +mp-567770,Zr2Al3C4,-7.3138082928,-0.0641648794,0.3898957789,0.380532419,GGA,P6_3mc,A3B4C2_hP18_186_2ab_a3b_2b:Al-C-Zr,18.0,"Invalid WP multiplicities - A3B4C2_hP18_186_4a2b_2a6b_3b:Al-C-Zr, expected Zr3(Al3C4)2 to be Zr2Al3C4" +mp-567748,Zr2Al3C4,-7.7037040717,-0.4540606583,0.0,-0.0093633599,GGA,P6_3/mmc,A3B4C2_hP18_194_ce_abf_f:Al-C-Zr,18.0,"Invalid WP multiplicities - A3B4C2_hP18_194_2c2e_2a2b2f_f:Al-C-Zr, expected ZrAl3C4 to be Zr2Al3C4" +mp-571419,Zr2Al4C5,-7.4583228127,-0.3473198998,0.0387051876,0.0387051876,GGA,R-3m,A4B5C2_hR33_166_2c_a2c_c:Al-C-Zr,11.0,"Invalid WP multiplicities - A4B5C2_hR33_166_3c_a4c_c:Al-C-Zr, expected Zr2(Al2C3)3 to be Zr2Al4C5" +mp-1207385,Zr(AlC)4,-6.9669099111,-0.25083592,0.0205638635,0.0205638635,GGA,P-3m1,A4B4C_hP18_164_2c2d_abc2d_d:Al-C-Zr,18.0,"Invalid WP multiplicities - A4B4C_hP18_164_2c2d_ab2c3d_d:Al-C-Zr, expected Zr(Al2C3)2 to be Zr(AlC)4" +mp-972176,Zr5Al3C,-7.5267426506,-0.5040875247000001,0.0380458046,0.0380458046,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Al-C-Zr,18.0,"Invalid WP multiplicities - A3BC5_hP18_193_g_b_2d2g:Al-C-Zr, expected Zr10Al3C to be Zr5Al3C" +mp-570419,Zr3Al3C5,-8.0726039605,-0.5250442475,0.0,-0.0017269434,GGA,P6_3/mmc,A3B5C3_hP22_194_bf_cef_af:Al-C-Zr,22.0,"Invalid WP multiplicities - A3B5C3_hP22_194_2bf_2c3e2f_2a3f:Al-C-Zr, expected Zr2AlC3 to be Zr3Al3C5" +mp-570156,Zr3Al3C5,-7.7286688886,-0.1811091757,0.3439350718,0.3422081284,GGA,P6_3/mmc,A3B5C3_hP22_194_bf_cef_af:Al-C-Zr,22.0,"Invalid WP multiplicities - A3B5C3_hP22_194_bf_c2e2f_2af:Al-C-Zr, expected Zr4(AlC3)3 to be Zr3Al3C5" +mp-569831,Zr3(Al2C3)2,-7.8035406023,-0.4191253588,0.0433137308,0.0433137308,GGA,R-3m,A4B6C3_hR39_166_2c_3c_ac:Al-C-Zr,13.0,"Invalid WP multiplicities - A4B6C3_hR39_166_3c_6c_ac:Al-C-Zr, expected Zr(AlC2)2 to be Zr3(Al2C3)2" +mp-3886,Zr2AlC,-8.1608641787,-0.6434535331,0.0137561951,0.0137561951,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Zr,8.0,ABC2_hP8_194_c_a_f:Al-C-Zr +mp-571402,Zr2Al3C5,-7.5069533595,-0.0594077383,0.3492468542,0.3492468542,GGA,P6_3/mmc,A3B5C2_hP20_194_ce_a2f_f:Al-C-Zr,20.0,"Invalid WP multiplicities - A3B5C2_hP20_194_c2e_a4f_f:Al-C-Zr, expected Zr2Al5C9 to be Zr2Al3C5" +mp-569326,Zr4(AlC2)3,-8.3250736715,-0.5712642127,0.0,-0.0032979235,GGA,P6_3/mmc,A3B6C4_hP26_194_cf_ad2f_ef:Al-C-Zr,26.0,"Invalid WP multiplicities - A3B6C4_hP26_194_cf_2a2d8f_2e3f:Al-C-Zr, expected Zr10Al3C20 to be Zr4(AlC2)3" +mp-11706,Ho2HgO4,-7.240505725,-3.061183875,0.0030353002,0.0030353002,GGA,C2/m,AB2C4_mC28_12_i_2i_4i:Hg-Ho-O,14.0,AB2C4_mC28_12_i_2i_4i:Hg-Ho-O +mp-1187924,YbAuO3,-5.329445254,-1.3987339713,0.2827140721,0.2827140721,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-O-Yb,,AB3C_cP5_221_b_c_a:Au-O-Yb +mp-971924,DyYAg2,-4.516432805,-0.331840315,0.0001222675,0.0001222675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Dy-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Dy-Y +mp-542281,KGdTe4,-5.8545036475,-1.2278795208,0.0,-0.0793040606,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Gd-K-Te,12.0,ABC4_tP12_125_a_b_m:Gd-K-Te +mp-20420,KGdTe2,-6.9945868725,-1.6263036291,0.0,-0.1322230712,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-K-Te,4.0,ABC2_hR12_166_a_b_c:Gd-K-Te +mp-1225792,Er5P12Ir19,-7.9043292492,-0.8007605394,0.0,-0.0798537698,GGA,P-62m,A5B19C12_hP36_189_cg_afgjk_2fk:Er-Ir-P,36.0,A5B19C12_hP36_189_cg_afgjk_2fk:Er-Ir-P +mp-15963,HfPRu,-9.2915551144,-1.0765904222,0.0,-0.1809139383,GGA,P-62m,ABC_hP9_189_f_ad_g:Hf-P-Ru,9.0,ABC_hP9_189_f_ad_g:Hf-P-Ru +mp-1095853,Y2CdAg,-2.119535645,2.0525613525,2.3953583,2.3953583,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cd-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Cd-Y +mp-865503,YCdAg2,-3.55983363,-0.29621541,0.0,-0.0156173497,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Y +mp-1096041,YCd2Ag,-1.3658392925,1.4203623667,1.7149903431,1.7149903431,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Cd-Y,4.0,AB2C_oI8_71_a_e_b:Ag-Cd-Y +mp-1093621,Ca2PAu,-2.64763972,0.5269563467,1.4774967163,1.4774967163,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ca-P,4.0,AB2C_oI8_71_a_e_b:Au-Ca-P +mp-10677,CaPAu,-4.444804525,-0.8805430628,0.0,-0.1156602252,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ca-P,6.0,ABC_hP6_194_c_a_d:Au-Ca-P +mp-1193614,Eu3InP3,-8.0942659986,-0.98532362,0.0,-0.0620920643,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Eu-In-P,28.0,A3BC3_oP28_62_3c_c_3c:Eu-In-P +mp-1188263,Eu3(InP2)2,-7.2835886372,-0.8471905387,0.0,-0.0321846306,GGA,Pnnm,A3B2C4_oP18_58_ag_g_2g:Eu-In-P,18.0,A3B2C4_oP18_58_ag_g_2g:Eu-In-P +mp-1079785,Y2CdGe2,-5.357801478,-0.7374239387,0.0,-0.021804742,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ge-Y,10.0,AB2C2_tP10_127_a_g_h:Cd-Ge-Y +mp-972296,ZrOsO3,-8.15535153,-1.2323246913,1.459629599,1.459629599,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Zr,5.0,A3BC_cP5_221_c_b_a:O-Os-Zr +mp-1247817,B4MoRu2,-7.9998189171,0.0161842648,0.3965931464,0.3965931464,GGA,P1,A4BC2_aP7_1_4a_a_2a:B-Mo-Ru,7.0,A4BC2_aP7_1_4a_a_2a:B-Mo-Ru +mp-1228655,B4MoRu2,-8.3197209057,-0.3037177238,0.0766911579,0.0766911579,GGA,Immm,A4BC2_oI14_71_ef_a_f:B-Mo-Ru,7.0,A4BC2_oI14_71_ef_a_f:B-Mo-Ru +mp-1190254,B2Mo2Ru,-9.253057403,-0.3881601427,0.013627713,0.013627713,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:B-Mo-Ru,20.0,A2B2C_oP20_58_2g_2g_g:B-Mo-Ru +mp-1228661,B2MoRu,-8.668896373799999,-0.2991873258,0.0901294617,0.0901294617,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Mo-Ru,8.0,A2BC_oP8_26_ab_a_b:B-Mo-Ru +mp-1097553,Ti2VOs,-5.3683420825,3.6572223008,4.0288972987,4.0114466331,GGA,Immm,AB2C_oI8_71_a_e_b:Os-Ti-V,4.0,AB2C_oI8_71_a_e_b:Os-Ti-V +mp-1187461,Ti2VOs,-9.3972393812,-0.3716749979,0.0,-0.0174506657,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Ti-V,8.0,AB2C_cF16_225_a_c_b:Os-Ti-V +mp-1093707,TiVOs2,-6.1687620025,3.6897712342,4.1618390067,4.1618390067,GGA,Immm,A2BC_oI8_71_e_a_b:Os-Ti-V,4.0,A2BC_oI8_71_e_a_b:Os-Ti-V +mp-1097211,TiV2Os,-5.5141222125,3.8085456842,4.1721893606,4.1721893606,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Ti-V,4.0,ABC2_oI8_71_a_b_e:Os-Ti-V +mp-1302566,CrO,-9.2253448775,-1.9254767869,0.0473158342,0.0473158342,GGA+U,P-1,AB_aP4_2_be_i:Cr-O,8.0,"Invalid WP multiplicities - AB_aP4_2_2b2e_i:Cr-O, expected Cr2O to be CrO" +mp-1178414,CrO,-9.1136852292,-1.8138171385,0.1589754825,0.1589754825,GGA+U,Pm,AB_mP12_6_ab2c_3c:Cr-O,12.0,AB_mP12_6_ab3c_4c:Cr-O +mp-19091,CrO,-8.90514714,-1.6052790494,0.3675135717,0.3675135717,GGA+U,Fm-3m,AB_cF8_225_a_b:Cr-O,2.0,AB_cF8_225_a_b:Cr-O +mp-1178416,CrO,-9.179908685,-1.8800405944,0.0927520267,0.0927520267,GGA+U,C2/c,AB_mC8_15_c_e:Cr-O,4.0,AB_mC8_15_c_e:Cr-O +mp-1272524,CrO,-9.2234541038,-1.9235860131,0.0492066079,0.0492066079,GGA+U,C2/c,AB_mC8_15_c_e:Cr-O,8.0,AB_mC8_15_c_e:Cr-O +mp-755286,CrO,-9.1013877975,-1.8015197069,0.1712729142,0.1712729142,GGA+U,Pmm2,AB_oP12_25_ac2f_3e:Cr-O,12.0,AB_oP12_25_ac3f_4e:Cr-O +mp-1273363,CrO,-9.17110325,-1.8712351594,0.1015574617,0.1015574617,GGA+U,Cccm,AB_oC8_66_e_a:Cr-O,4.0,AB_mC8_15_c_e:Cr-O +mp-1283577,CrO,-9.26689124,-1.9670231494,0.0057694717,0.0057694717,GGA+U,Cccm,AB_oC8_66_e_a:Cr-O,8.0,AB_mC8_15_c_e:Cr-O +mp-754983,CrO,-9.1098736487,-1.8100055581,0.1627870629,0.1627870629,GGA+U,P4_2/m,AB_tP16_84_cej_k:Cr-O,16.0,"Invalid WP multiplicities - AB_tP16_84_2ce2j_k:Cr-O, expected Cr7O4 to be CrO" +mp-755073,CrO,-9.2675932175,-1.9677251269,0.0050674942,0.0050674942,GGA+U,P4_2/mmc,AB_tP4_131_c_e:Cr-O,8.0,AB_oC8_66_e_a:Cr-O +mp-13869,Cr5O12,-8.1388426626,-1.8079307871,0.0251750226,-0.000387501,GGA+U,Pbcn,A5B12_oP68_60_c2d_6d:Cr-O,68.0,"Invalid WP multiplicities - A5B12_oP68_60_c2d_7d:Cr-O, expected Cr5O14 to be Cr5O12" +mp-773920,Cr5O12,-8.1640176853,-1.8331058097,0.0,-0.0255625237,GGA+U,Pbcn,A5B12_oP68_60_c2d_6d:Cr-O,68.0,"Invalid WP multiplicities - A5B12_oP68_60_2c6d_21d:Cr-O, expected CrO3 to be Cr5O12" +mp-1213798,Cr6O11,-8.7319828188,-2.1242263104,0.0180880671,0.0180880671,GGA+U,P-1,A6B11_aP34_2_6i_11i:Cr-O,34.0,A6B11_aP34_2_6i_11i:Cr-O +mp-1045826,Cr9O13,-8.9107712827,-2.0387539884,0.2927282002,0.2927282002,GGA+U,C2/m,A9B13_mC44_12_a4i_d6i:Cr-O,22.0,A9B13_mC44_12_a4i_c6i:Cr-O +mp-776160,Cr2O5,-8.0147318496,-1.7233692073,0.0573621507,0.0573621507,GGA+U,P2_12_12_1,A2B5_oP28_19_2a_5a:Cr-O,28.0,"Invalid WP multiplicities - A2B5_oP28_19_5a_17a:Cr-O, expected Cr5O17 to be Cr2O5" +mp-1402326,Cr2O5,-7.7907050429,-1.4993424005,0.2813889575,0.2813889575,GGA+U,Pbam,A2B5_oP14_55_g_agh:Cr-O,14.0,A2B5_oP14_55_g_agh:Cr-O +mp-1397432,Cr2O5,-7.961737946399999,-1.6703753041,0.1103560539,0.1103560539,GGA+U,Pmmn,A2B5_oP14_59_e_a2e:Cr-O,14.0,"Invalid WP multiplicities - A2B5_oP14_59_e_a3e:Cr-O, expected Cr2O7 to be Cr2O5" +mp-1043300,Cr2O5,-7.9637722386,-1.6724095962,0.1083217617,0.1083217617,GGA+U,Cmcm,A2B5_oC28_63_f_c2f:Cr-O,14.0,"Invalid WP multiplicities - A2B5_oC28_63_f_2c5f:Cr-O, expected CrO6 to be Cr2O5" +mp-1349242,CrO2,-8.3862311698,-1.8707562056,0.1777928519,0.1602182469,GGA+U,Cm,AB2_mC96_8_8a4b_16a8b:Cr-O,48.0,"Invalid WP multiplicities - AB2_mC96_8_8a7b_16a16b:Cr-O, expected Cr11O24 to be CrO2" +mp-1040967,CrO2,-8.3806569108,-1.8651819467,0.1833671108,0.1657925058,GGA+U,Cm,AB2_mC72_8_6a3b_12a6b:Cr-O,36.0,"Invalid WP multiplicities - AB2_mC72_8_6a5b_12a7b:Cr-O, expected Cr8O13 to be CrO2" +mp-714929,CrO2,-8.37946342,-1.8639884558,0.1845606017,0.1669859967,GGA+U,C2/m,AB2_mC12_12_i_2i:Cr-O,6.0,"Invalid WP multiplicities - AB2_aP6_2_i_3i:Cr-O, expected CrO3 to be CrO2" +mp-1399565,CrO2,-8.1811551183,-1.6656801542,0.3828689033,0.3652942983,GGA+U,C2/m,AB2_mC12_12_i_2i:Cr-O,6.0,"Invalid WP multiplicities - AB2_mC12_12_i_3i:Cr-O, expected CrO3 to be CrO2" +mp-2214915,CrO2,-8.360177765,-1.8447028008,0.2038462567,0.1862716517,GGA+U,C222_1,AB2_oC24_20_c_abc:Cr-O,12.0,AB2_oC24_20_c_abc:Cr-O +mp-21395,CrO2,-8.5632633167,-2.0477883525,0.000760705,-0.0168139,GGA+U,Pnnm,AB2_oP6_58_a_g:Cr-O,6.0,AB2_oP6_58_a_g:Cr-O +mp-1044871,CrO2,-8.3877861192,-1.872311155,0.1762379025,0.1586632975,GGA+U,Pmmn,AB2_oP24_59_ce_2eg:Cr-O,24.0,AB2_oP24_59_ce_2eg:Cr-O +mp-1102412,CrO2,-8.5362622225,-2.0207872583,0.0277617992,0.0101871942,GGA+U,Pbcn,AB2_oP12_60_c_d:Cr-O,12.0,AB2_oP12_60_c_d:Cr-O +mp-1047121,CrO2,-8.4930691875,-1.9775942233,0.0709548342,0.0533802292,GGA+U,Pnma,AB2_oP24_62_2c_4c:Cr-O,24.0,AB2_oP24_62_2c_4c:Cr-O +mp-1181747,CrO2,-8.5074763425,-1.9920013783,0.0565476792,0.0389730742,GGA+U,Pnma,AB2_oP12_62_c_2c:Cr-O,12.0,AB2_oP12_62_c_2c:Cr-O +mp-1041961,CrO2,-8.3884015167,-1.8729265525,0.175622505,0.1580479,GGA+U,Cmcm,AB2_oC12_63_a_f:Cr-O,6.0,AB2_oC12_63_a_f:Cr-O +mp-1047643,CrO2,-8.3768373542,-1.86136239,0.1871866675,0.1696120625,GGA+U,Cmcm,AB2_oC24_63_f_acf:Cr-O,12.0,AB2_oC24_63_f_acf:Cr-O +mp-1389152,CrO2,-8.398454205,-1.8829792408,0.1655698167,0.1479952117,GGA+U,Imma,AB2_oI24_74_ae_hi:Cr-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_ae_3h2i:Cr-O, expected CrO5 to be CrO2" +mp-1394584,CrO2,-8.4977566167,-1.9822816525,0.066267405,0.0486927999999999,GGA+U,I4/m,AB2_tI24_87_h_2h:Cr-O,12.0,AB2_tI24_87_h_2h:Cr-O +mp-1281333,CrO2,-8.5585709908,-2.0430960267,0.0054530308,-0.0121215742,GGA+U,P-42_1m,AB2_tP6_113_c_e:Cr-O,12.0,AB2_tP6_136_a_f:Cr-O +mp-19177,CrO2,-8.5640240217,-2.0485490575,0.0,-0.017574605,GGA+U,P4_2/mnm,AB2_tP6_136_a_f:Cr-O,6.0,AB2_tP6_136_a_f:Cr-O +mp-1358572,CrO2,-8.3789191131,-1.8634441489,0.1851049086,0.1675303036,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Cr-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c15d:Cr-O, expected Cr8O17 to be CrO2" +mp-1388847,CrO2,-8.3733686983,-1.8578937342,0.1906553233,0.1730807183,GGA+U,R3m,AB2_hR36_160_ab_2a2b:Cr-O,12.0,AB2_hR36_160_ab_2a2b:Cr-O +mp-25302,CrO2,-8.3564723067,-1.8409973425,0.207551715,0.18997711,GGA+U,R-3m,AB2_hR9_166_a_c:Cr-O,3.0,AB2_hR9_166_a_c:Cr-O +mp-1421109,CrO2,-8.3397039067,-1.8242289425,0.224320115,0.20674551,GGA+U,R-3m,AB2_hR9_166_a_c:Cr-O,3.0,AB2_hR9_166_a_c:Cr-O +mp-1446026,CrO2,-6.65272747,-0.1372525058,1.9112965517,1.8937219467,GGA+U,P6_3/mmc,AB2_hP6_194_c_f:Cr-O,6.0,AB2_hP6_194_c_f:Cr-O +mp-1102170,CrO2,-8.4655728208,-1.9500978567,0.0984512008,0.0808765958,GGA+U,Pa-3,AB2_cP12_205_a_c:Cr-O,12.0,AB2_cP12_205_a_c:Cr-O +mp-1009555,CrO2,-8.3712790567,-1.8558040925,0.192744965,0.17517036,GGA+U,Fm-3m,AB2_cF12_225_a_c:Cr-O,3.0,AB2_cF12_225_a_c:Cr-O +mp-1400837,CrO2,-8.3726372358,-1.8571622717,0.1913867858,0.1738121808,GGA+U,Fd-3m,AB2_cF48_227_c_e:Cr-O,12.0,AB2_cF48_227_c_e:Cr-O +mp-1206821,Cr2O,-8.0776066867,0.0066545304,1.3218496111,1.3218496111,GGA+U,Fm-3m,A2B_cF12_225_c_a:Cr-O,3.0,A2B_cF12_225_c_a:Cr-O +mp-1198417,Cr4O15,-6.7755312987,-0.8380302172,0.4740876256,0.4740876256,GGA+U,Pc,A4B15_mP38_7_4a_15a:Cr-O,38.0,A4B15_mP38_7_4a_15a:Cr-O +mp-714896,Cr3O,-8.3946622063,0.0817955741,1.0681918846,1.0681918846,GGA+U,R-3c,A3B_hR24_167_e_b:Cr-O,8.0,A3B_hR24_167_e_b:Cr-O +mp-20609,Cr3O,-7.6553110788,0.8211467016,1.8075430121,1.8075430121,GGA+U,Pm-3n,A3B_cP8_223_c_a:Cr-O,8.0,A3B_cP8_223_c_a:Cr-O +mp-1389926,CrO3,-7.4788328063,-1.3555544053,0.2025855329,0.2025855329,GGA+U,P2_1,AB3_mP16_4_2a_6a:Cr-O,16.0,"Invalid WP multiplicities - AB3_mP16_4_4a_11a:Cr-O, expected Cr4O11 to be CrO3" +mp-755211,CrO3,-7.6039449413,-1.4806665403,0.0774733979,0.0774733979,GGA+U,P2_1/c,AB3_mP16_14_e_3e:Cr-O,16.0,"Invalid WP multiplicities - AB3_mP16_14_e_9e:Cr-O, expected CrO9 to be CrO3" +mp-772550,CrO3,-7.6214954631,-1.4982170622,0.0599228761,0.0599228761,GGA+U,C2/c,AB3_mC32_15_f_3f:Cr-O,16.0,"Invalid WP multiplicities - AB3_mC32_15_f_11f:Cr-O, expected CrO11 to be CrO3" +mp-778667,CrO3,-7.6044374194,-1.4811590184,0.0769809198,0.0769809198,GGA+U,Pna2_1,AB3_oP16_33_a_3a:Cr-O,16.0,"Invalid WP multiplicities - AB3_oP16_33_a_9a:Cr-O, expected CrO9 to be CrO3" +mp-753740,CrO3,-7.57830362,-1.4550252191,0.1031147192,0.1031147192,GGA+U,Amm2,AB3_oC8_38_a_bd:Cr-O,4.0,AB3_oC8_38_a_bd:Cr-O +mp-510421,CrO3,-7.6354399987,-1.5121615978,0.0459783404,0.0459783404,GGA+U,Ama2,AB3_oC16_40_b_a2b:Cr-O,8.0,"Invalid WP multiplicities - AB3_oC16_40_b_a3b:Cr-O, expected CrO4 to be CrO3" +mp-715566,CrO3,-7.62499083,-1.5017124291,0.0564275092,0.0564275092,GGA+U,Ama2,AB3_oC16_40_b_a2b:Cr-O,8.0,AB3_oC16_40_b_a2b:Cr-O +mp-756041,CrO3,-7.5830559025,-1.4597775016,0.0983624367,0.0983624367,GGA+U,Pnma,AB3_oP16_62_c_cd:Cr-O,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_2c3d:Cr-O, expected CrO8 to be CrO3" +mp-1330490,CrO3,-6.8961344883,-0.7728560874,0.7852838509000001,0.7852838509000001,GGA+U,P6_3cm,AB3_hP24_185_c_ab2c:Cr-O,24.0,AB3_hP24_185_c_ab2c:Cr-O +mp-1387606,CrO3,-6.7454553825,-0.6221769816,0.9359629567,0.9359629567,GGA+U,P6_3/mmc,AB3_hP8_194_c_bf:Cr-O,8.0,AB3_hP8_194_c_bf:Cr-O +mp-1429856,CrO3,-7.2793661125,-1.1560877116,0.4020522267,0.4020522267,GGA+U,Pm-3m,AB3_cP4_221_a_d:Cr-O,4.0,AB3_cP4_221_a_d:Cr-O +mp-1186387,Pa2Cr2O5,-9.5599162378,-2.5522642582,0.5750323904,0.5750323904,GGA+U,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Cr-O-Pa,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Cr-O-Pa, expected Pa2Cr2O9 to be Pa2Cr2O5" +mp-545771,Cr3O8,-7.7891661764,-1.5589250764,0.1408639472,0.1408639472,GGA+U,C2/m,A3B8_mC22_12_ai_2ij:Cr-O,11.0,A3B8_mC22_12_ai_2ij:Cr-O +mp-545796,Cr3O8,-7.8807903045,-1.6505492045,0.049239819,0.049239819,GGA+U,C2/m,A3B8_mC22_12_ai_2ij:Cr-O,11.0,"Invalid WP multiplicities - A3B8_mC22_12_a2i_4i4j:Cr-O, expected Cr5O24 to be Cr3O8" +mp-1388338,Cr3O8,-7.582305318199999,-1.3520642182,0.3477248054,0.3477248054,GGA+U,C2/m,A3B8_mC22_12_ah_2ij:Cr-O,11.0,A3B8_mC22_12_ah_2ij:Cr-O +mp-2220540,Cr3O8,-7.8834901209,-1.6532490209,0.0465400026,0.0465400026,GGA+U,P2_1/c,A3B8_mP22_14_ae_4e:Cr-O,22.0,"Invalid WP multiplicities - A3B8_mP22_14_2ae_13e:Cr-O, expected Cr2O13 to be Cr3O8" +mp-754874,Cr3O8,-7.8761517295,-1.6459106295,0.053878394,0.053878394,GGA+U,Pnnm,A3B8_oP22_58_ag_2gh:Cr-O,22.0,"Invalid WP multiplicities - A3B8_oP22_58_2ag_7g2h:Cr-O, expected Cr2O11 to be Cr3O8" +mp-1043013,Cr3O8,-7.5533355282,-1.3230944282,0.3766945954,0.3766945954,GGA+U,P6_3mc,A3B8_hP22_186_c_ab2c:Cr-O,22.0,"Invalid WP multiplicities - A3B8_hP22_186_c_a2b3c:Cr-O, expected CrO4 to be Cr3O8" +mp-1046050,Cr5O7,-8.7912325737,-1.8835610464,0.4180303449,0.4180303449,GGA+U,Cmcm,A5B7_oC48_63_a2f_c3f:Cr-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Cr-O, expected CrO to be Cr5O7" +mp-780521,Cr19O48,-7.9636056687,-1.6822779064,0.0851644116,0.0851644116,GGA+U,P1,A19B48_aP67_1_19a_48a:Cr-O,67.0,A19B48_aP67_1_19a_48a:Cr-O +mp-850874,Cr19O48,-7.9507804891,-1.6694527269,0.0979895911,0.0979895911,GGA+U,P1,A19B48_aP67_1_19a_48a:Cr-O,67.0,A19B48_aP67_1_19a_48a:Cr-O +mp-1310867,Cr3O4,-9.1191662864,-2.1554666786,0.0991534598,0.0991534598,GGA+U,P-1,A3B4_aP14_2_abcefg_4i:Cr-O,14.0,"Invalid WP multiplicities - A3B4_aP14_2_abcefg_6i:Cr-O, expected CrO2 to be Cr3O4" +mp-756253,Cr3O4,-9.1353449671,-2.1716453593,0.082974779,0.082974779,GGA+U,C2/c,A3B4_mC28_15_acd_2f:Cr-O,14.0,"Invalid WP multiplicities - A3B4_mC28_15_2a2c2d_2f:Cr-O, expected Cr3O2 to be Cr3O4" +mp-1041443,Cr4O9,-8.0906071954,-1.6958080968,0.2118742217,0.2118742217,GGA+U,P4/n,A4B9_tP26_85_g_a2g:Cr-O,26.0,A4B9_tP26_85_g_a2g:Cr-O +mp-1244912,Cr2O3,-8.7732606676,-1.9440284529,0.4233226924,0.2097030435,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1244988,Cr2O3,-8.7895805755,-1.9603483607,0.4070027845,0.1933831356,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245064,Cr2O3,-8.834916765700001,-2.005684551,0.3616665943,0.1480469454,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245091,Cr2O3,-8.7356563098,-1.906424095,0.4609270503,0.2473074014,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245208,Cr2O3,-8.8330576785,-2.0038254637,0.3635256815,0.1499060326,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245247,Cr2O3,-8.8260864277,-1.996854213,0.3704969323,0.1568772834,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245257,Cr2O3,-8.833337678,-2.0041054632,0.363245682,0.1496260331,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1245327,Cr2O3,-8.7353412249,-1.9061090101,0.4612421351,0.2476224862,GGA+U,P1,A2B3_aP80_1_32a_48a:Cr-O,80.0,A2B3_aP80_1_32a_48a:Cr-O +mp-1181863,Cr2O3,-8.87237305,-2.0431408353,0.32421031,0.1105906611,GGA+U,C2/c,A2B3_mC20_15_f_ef:Cr-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Cr-O, expected CrO4 to be Cr2O3" +mp-755749,Cr2O3,-9.149907758,-2.3206755432,0.046675602,-0.1669440469,GGA+U,Pbcn,A2B3_oP20_60_d_cd:Cr-O,20.0,A2B3_oP20_60_d_cd:Cr-O +mp-1043379,Cr2O3,-8.8968016365,-2.0675694217,0.2997817235,0.0861620746,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Cr-O,20.0,A2B3_oC40_63_2f_ac2f:Cr-O +mp-753829,Cr2O3,-9.134396397,-2.3051641822,0.062186963,-0.1514326859,GGA+U,R-3,A2B3_hR30_148_abc_f:Cr-O,10.0,A2B3_hR30_148_abc_f:Cr-O +mp-19399,Cr2O3,-9.19658336,-2.3673511452,0.0,-0.2136196489,GGA+U,R-3c,A2B3_hR30_167_c_e:Cr-O,10.0,A2B3_hR30_167_c_e:Cr-O +mp-776873,Cr2O3,-9.1549468097,-2.325714595,0.0416365503,-0.1719830986,GGA+U,Ia-3,A2B3_cI80_206_ad_e:Cr-O,40.0,A2B3_cI80_206_ad_e:Cr-O +mp-1096920,Cr3O5,-8.5991716588,-1.887598413,0.3602019494,0.3602019494,GGA+U,P1,A3B5_aP8_1_3a_5a:Cr-O,8.0,A3B5_aP8_1_3a_5a:Cr-O +mp-558855,Cr8O21,-7.9318518962,-1.6868573205,0.0324695079,0.0324695079,GGA+U,P-1,A8B21_aP29_2_4i_a10i:Cr-O,29.0,A8B21_aP29_2_4i_a10i:Cr-O +mp-689946,Cr8O21,-5.8832995721,0.3616950037,2.0810218321,2.0810218321,GGA+U,P-1,A8B21_aP29_2_4i_a10i:Cr-O,29.0,"Invalid WP multiplicities - A8B21_aP29_2_7i_a20i:Cr-O, expected Cr14O41 to be Cr8O21" +mp-1181818,Cr8O21,-7.4480987934,-1.2031042177,0.5162226107,0.5162226107,GGA+U,P-1,A8B21_aP29_2_4i_a10i:Cr-O,29.0,"Invalid WP multiplicities - A8B21_aP29_2_7i_a20i:Cr-O, expected Cr14O41 to be Cr8O21" +mp-1396459,Cr8O21,-6.9344139131,-0.6894193374,1.029907491,1.029907491,GGA+U,P-1,A8B21_aP29_2_4i_a10i:Cr-O,29.0,"Invalid WP multiplicities - A8B21_aP29_2_7i_a20i:Cr-O, expected Cr14O41 to be Cr8O21" +mp-1044455,Cr3O7,-8.0784837843,-1.7198874454,0.1455348515,0.1455348515,GGA+U,Pnma,A3B7_oP40_62_cd_c3d:Cr-O,40.0,"Invalid WP multiplicities - A3B7_oP40_62_c2d_c3d:Cr-O, expected Cr5O7 to be Cr3O7" +mp-1096343,VRe2Si,-5.8944562650000005,3.9551133525,4.2371783092,4.2371783092,GGA,Immm,A2BC_oI8_71_e_a_b:Re-Si-V,4.0,A2BC_oI8_71_e_a_b:Re-Si-V +mp-1096610,Y2MgGa,-2.249069215,2.1412603598,2.5460232479,2.5460232479,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mg-Y,4.0,ABC2_oI8_71_a_b_e:Ga-Mg-Y +mp-5590,YMgGa,-4.2133613244,-0.5150789292,0.0,-0.034742128,GGA,P-62m,ABC_hP9_189_ad_g_f:Ga-Mg-Y,9.0,ABC_hP9_189_ad_g_f:Ga-Mg-Y +mp-1027965,YMg14Ga,-2.034136065,-0.0404805753,0.0745066279,0.0745066279,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Y, expected YMg18Ga to be YMg14Ga" +mp-1027950,YMg14Ga,-2.0160380581,-0.0223825684,0.0926046347,0.0926046347,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Y, expected YMg26Ga to be YMg14Ga" +mp-1022654,YMg6Ga,-2.46188297,-0.0748520405,0.1324640225,0.1324640225,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Y, expected YMg12Ga to be YMg6Ga" +mp-1099268,YMg6Ga,-2.454854595,-0.0678236655,0.1394923975,0.1394923975,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:Ga-Mg-Y +mp-1205744,Y2MgGa2,-4.689685171,-0.5718023067,0.0044332247,0.0044332247,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ga-Mg-Y,10.0,A2BC2_tP10_127_g_a_h:Ga-Mg-Y +mp-631389,SiWCl2,-4.7264500125,0.7936803825000001,1.9473219191,1.9473219191,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cl-Si-W,4.0,A2BC_cF16_225_c_a_b:Cl-Si-W +mp-27189,Si3Cl8,-4.3913899714,-1.5673674832,0.0162937845,0.0162937845,GGA,F-43c,A8B3_cF176_219_eh_abe:Cl-Si,44.0,A8B3_cF176_219_eh_abe:Cl-Si +mp-29174,SiCl2,-4.4315191933,-1.3907220767,0.0609674187,0.0609674187,GGA,P2_12_12_1,A2B_oP12_19_2a_a:Cl-Si,12.0,A2B_oP12_19_2a_a:Cl-Si +mp-28391,SiCl4,-4.3059203285,-1.7420273945,0.0,-0.5926245735,GGA,P2_1/c,A4B_mP20_14_4e_e:Cl-Si,20.0,A4B_mP20_14_4e_e:Cl-Si +mp-10953,Sc2CdS4,-6.1487514943,-1.8439475746,0.0,-0.0095357939,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-S-Sc,14.0,AB4C2_cF56_227_a_e_d:Cd-S-Sc +mp-675380,Nb15IrS32,-7.368910615,-1.2704855,0.0403561438,0.0403561438,GGA,P1,AB15C32_aP48_1_a_15a_32a:Ir-Nb-S,48.0,AB15C32_aP48_1_a_15a_32a:Ir-Nb-S +mp-1173016,Nb15IrS32,-7.3668967448,-1.2684716298,0.042370014,0.042370014,GGA,C2/m,AB15C32_mC96_12_a_bfg2hij_4i6j:Ir-Nb-S,48.0,"Invalid WP multiplicities - AB15C32_mC96_12_a_b2e2g3h2i4j_7i19j:Ir-Nb-S, expected Nb35IrS90 to be Nb15IrS32" +mp-674499,Nb17Ir3S40,-7.2195610173,-1.1579696358,0.0992088975,0.0992088975,GGA,C2/m,A3B17C40_mC120_12_ai_c8i_20i:Ir-Nb-S,60.0,"Invalid WP multiplicities - A3B17C40_mC120_12_a2i_c15i_39i:Ir-Nb-S, expected Nb31Ir5S78 to be Nb17Ir3S40" +mp-33670,NbIrS4,-6.8538431817,-0.9395867338,0.1029393571,0.1029393571,GGA,C2/m,ABC4_mC12_12_a_d_2i:Ir-Nb-S,6.0,"Invalid WP multiplicities - ABC4_mC12_12_a_c_4i:Ir-Nb-S, expected NbIrS8 to be NbIrS4" +mp-1220692,Nb3IrS8,-7.13381291,-1.1143172237,0.0815320402,0.0815320402,GGA,C2/m,AB3C8_mC24_12_a_be_2ij:Ir-Nb-S,12.0,"Invalid WP multiplicities - AB3C8_mC24_12_a_bf_4ij:Ir-Nb-S, expected Nb3IrS12 to be Nb3IrS8" +mp-675367,Nb3IrS8,-7.1889704796,-1.1694747933,0.0263744706,0.0263744706,GGA,C2/c,AB3C8_mC48_15_e_ef_4f:Ir-Nb-S,24.0,"Invalid WP multiplicities - AB3C8_mC48_15_e_2e3f_12f:Ir-Nb-S, expected Nb8IrS24 to be Nb3IrS8" +mp-1173506,Nb9IrS20,-7.327359158,-1.2447199287,0.0431232391,0.0431232391,GGA,P-1,AB9C20_aP30_2_a_d4i_10i:Ir-Nb-S,30.0,"Invalid WP multiplicities - AB9C20_aP30_2_a_d7i_18i:Ir-Nb-S, expected Nb15IrS36 to be Nb9IrS20" +mp-1206413,YbRu3C,-7.719891856,-0.0015955775,0.0747703773,0.0747703773,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Yb,,AB3C_cP5_221_b_c_a:C-Ru-Yb +mp-20423,Nd3SnC,-4.090808924,1.4177270050000002,1.840612416,1.840612416,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Nd-Sn,5.0,AB3C_cP5_221_a_c_b:C-Nd-Sn +mp-16297,Sc3SnC,-7.236472258,-0.7893433255000001,0.0,-0.1985277803,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Sc-Sn,5.0,AB3C_cP5_221_b_c_a:C-Sc-Sn +mp-1205323,Tb6OsI10,-4.6228079806,-1.4600298906,0.0,-0.074898998,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Os-Tb,17.0,A10BC6_aP17_2_5i_a_3i:I-Os-Tb +mp-1216865,TiCrN2,-9.815258845,-1.2598765108,0.034393905,0.034393905,GGA,R-3m,AB2C_hR12_166_a_c_b:Cr-N-Ti,4.0,AB2C_hR12_166_a_c_b:Cr-N-Ti +mp-1245951,Ti2CrN3,-9.58354796,-1.1746285803,0.3205530683,0.3205530683,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Ti,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Ti +mp-1247130,Ti(CrN)4,-9.6034982511,-0.7308691848000001,0.1667425741,0.1667425741,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Cr-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Cr-N-Ti +mp-570646,Nd4Te3N2,-6.7440462508,-1.7245465553,0.0,-0.0882951333,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Nd-Te,36.0,"Invalid WP multiplicities - A2B4C3_oP36_62_d_6c6d_4c4d:N-Nd-Te, expected Nd9Te6N to be Nd4Te3N2" +mp-540572,NCl3,-3.4412352887,0.0292909375,0.0292909375,0.0292909375,GGA,Pnma,A3B_oP48_62_3c3d_3c:Cl-N,48.0,A3B_oP48_62_3c3d_3c:Cl-N +mp-726151,N4Cl,-6.6780624915,0.3608407805,0.3608407805,0.3608407805,GGA,P2_1,AB4_mP20_4_2a_8a:Cl-N,20.0,AB4_aP20_1_4a_16a:Cl-N +mp-1188944,N4Cl,-6.1455591865,0.8933440855,0.8933440855,0.8933440855,GGA,P2_12_12_1,AB4_oP20_19_a_4a:Cl-N,20.0,AB4_oP20_19_a_4a:Cl-N +mp-1208256,Th2NCl2,-6.318967934,-0.946710985,1.1783864257,1.1783864257,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-N-Th,5.0,A2BC2_tP5_123_g_a_g:Cl-N-Th +mp-1058151,NCl,-2.375585445,2.7169303475,2.7169303475,2.7169303475,GGA,Pm-3m,AB_cP2_221_a_b:Cl-N,2.0,AB_cP2_221_a_b:Cl-N +mp-1057084,NCl,-2.930872525,2.1616432675,2.1616432675,2.1616432675,GGA,Fm-3m,AB_cF8_225_a_b:Cl-N,2.0,AB_cF8_225_a_b:Cl-N +mp-695743,N2Cl,-5.8507456675,0.3230965025,0.3230965025,0.3230965025,GGA,P1,AB2_aP12_1_4a_8a:Cl-N,12.0,AB2_oF48_43_b_2b:Cl-N +mp-28065,ThNCl,-8.3024131883,-2.4361165767,0.0,-0.2715272321,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-N-Th,6.0,ABC_tP6_129_c_a_c:Cl-N-Th +mp-1095181,N3Cl,-6.139224225,0.5752811337,0.5752811337,0.5752811337,GGA,Cmc2_1,AB3_oC16_36_a_3a:Cl-N,8.0,AB3_oC16_36_a_3a:Cl-N +mp-770415,HoErO3,-8.7512391867,-3.9532004239,0.0929438422,0.0929438422,GGA,P6_3cm,ABC3_hP30_185_c_ab_ab2c:Er-Ho-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_c_a2b_a3b11c:Er-Ho-O, expected Ho5Er3O40 to be HoErO3" +mp-1184778,HoErO3,-7.93530163,-3.1372628672,0.9088813989,0.9088813989,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Er-Ho-O,5.0,ABC3_cP5_221_b_a_c:Er-Ho-O +mp-23443,MnTlI3,-3.974364912,-0.7854134143,0.017026594,0.017026594,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-Mn-Tl,20.0,A3BC_oP20_62_3c_c_c:I-Mn-Tl +mp-972205,V2MoOs,-10.36922105,-0.30901363,0.0,-0.0719387267,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Os-V,4.0,ABC2_cF16_225_a_b_c:Mo-Os-V +mp-996981,TlAuO2,-4.655969,-0.7734933577,0.0125094727,0.0125094727,GGA,R-3m,AB2C_hR12_166_a_c_b:Au-O-Tl,4.0,AB2C_hR12_166_a_c_b:Au-O-Tl +mp-997008,TlAuO2,-4.6548778562,-0.7724022140000001,0.0136006165,0.0136006165,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Au-O-Tl,8.0,AB2C_hP8_194_c_f_a:Au-O-Tl +mp-623448,Nd3InN,-3.776485136,1.3020390545,2.234581952,2.122566069,GGA,Pm-3m,ABC3_cP5_221_b_a_c:In-N-Nd,5.0,ABC3_cP5_221_b_a_c:In-N-Nd +mp-21022,Nd3InN,-6.011067088,-0.9325428975,0.0,-0.112015883,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Nd,5.0,ABC3_cP5_221_a_b_c:In-N-Nd +mp-568346,HfBrN,-8.6497388383,-2.0341680767,0.0,-0.1588750819,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Hf-N,6.0,ABC_oP6_59_a_b_a:Br-Hf-N +mp-30302,HfBrN,-8.6382428083,-2.0226720467,0.01149603,-0.1473790519,GGA,R-3m,ABC_hR18_166_c_c_c:Br-Hf-N,6.0,ABC_hR18_166_c_c_c:Br-Hf-N +mp-1207670,YbSnF7,-5.2236247503,-3.1203433161,0.0,-0.0968850814,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sn-Yb,,A7BC_mP36_14_7e_e_e:F-Sn-Yb +mp-631301,HgPRh,-3.5552023467,0.8052279006,1.2669779311,1.2669779311,GGA,F-43m,ABC_cF12_216_c_a_b:Hg-P-Rh,3.0,ABC_cF12_216_c_a_b:Hg-P-Rh +mp-1190986,Nd2(ReB2)3,-8.3534802309,-0.4492777723,0.0,-0.0476732152,GGA,C2/c,A6B2C3_mC44_15_3f_f_ef:B-Nd-Re,22.0,A6B2C3_mC44_15_3f_f_ef:B-Nd-Re +mp-1025261,MgPPd5,-5.2977484143,-0.5958924705,0.0,-0.0619994807,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Mg-P-Pd,7.0,ABC5_tP7_123_c_b_ai:Mg-P-Pd +mp-1080757,Ta2CrB2,-10.049318745,-0.7038414907,0.0,-0.053542151,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Cr-Ta,10.0,A2BC2_tP10_127_g_a_h:B-Cr-Ta +mp-1217958,TaCrB4,-8.547959945,-0.5098945811,0.0182139308,0.0182139308,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Cr-Ta,6.0,A4BC_hP6_191_h_a_b:B-Cr-Ta +mp-1186449,PaV,-8.890103295,0.40918207,0.40918207,0.40918207,GGA,Amm2,AB_oC4_38_a_b:Pa-V,2.0,AB_mC4_8_a_a:Pa-V +mp-1382591,PaV,-8.88687898,0.412406385,0.412406385,0.412406385,GGA,P-6m2,AB_hP2_187_a_d:Pa-V,2.0,AB_hP2_187_a_d:Pa-V +mp-1186390,PaAlV2,-7.96440223,-0.1073890725,0.0164250263,0.0164250263,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Pa-V,4.0,ABC2_cF16_225_a_b_c:Al-Pa-V +mp-1199869,U(Zn10Ru)2,-2.5229040587,-0.1300741765,0.0,-0.0172875394,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Ru-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Ru-U-Zn +mp-1191805,PrMnB4,-7.2456872425,-0.4689392208,0.0386675883,0.0386675883,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Pr,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Pr +mp-1247255,Nb3InN6,-8.8981158915,-0.5906590515,0.2219749406,0.2219749406,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:In-N-Nb,20.0,AB6C3_mP20_14_a_3e_be:In-N-Nb +mp-1246002,SnGeN2,-6.3899318975,-0.0635345075,0.0810044529,0.0810044529,GGA,Ima2,AB2C_oI16_46_b_ab_b:Ge-N-Sn,8.0,AB2C_oI16_46_b_ab_b:Ge-N-Sn +mp-1245953,Sn7GeN6,-5.7230942873,0.1846914548,0.2259883007,0.2259883007,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Ge-N-Sn,56.0,AB6C7_oP56_60_c_3d_c3d:Ge-N-Sn +mp-1246768,Sn5(GeN3)2,-6.0093280169,0.0916631012,0.1806101537,0.1806101537,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Sn,26.0,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Sn +mp-1097682,TiMoW2,-6.42335683,4.7409938167,4.8148586237,4.8148586237,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Ti-W,4.0,ABC2_oI8_71_a_b_e:Mo-Ti-W +mp-1095815,Ti2MoW,-5.6777195375,4.2209715558,4.2948363629,4.2948363629,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ti-W,4.0,AB2C_oI8_71_a_e_b:Mo-Ti-W +mp-1096759,TiMo2W,-6.22233684,4.4138937767,4.55160288,4.5154012158,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Ti-W,4.0,A2BC_oI8_71_e_a_b:Mo-Ti-W +mp-1187245,TiMo2W,-10.77393972,-0.1377091033,0.0,-0.0362016642,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mo-Ti-W,4.0,A2BC_cF16_225_c_a_b:Mo-Ti-W +mp-1399219,Hf9Re4S,-9.841767968,0.4103220232,0.8827969675,0.8827969675,GGA,Cmcm,A9B4C_oC56_63_cfgh_acg_c:Hf-Re-S,84.0,"Invalid WP multiplicities - A9B4C_oC56_63_2c4f2g4h_a2c2g_c:Hf-Re-S, expected Hf30Re7S to be Hf9Re4S" +mp-1192774,Hf9Re4S,-10.7232427482,-0.471152757,0.0013221873,0.0013221873,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Re-S,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Re-S +mp-1186770,SrTb,-2.918913515,0.2430162617,0.2430162617,0.2430162617,GGA,P-6m2,AB_hP2_187_a_d:Sr-Tb,2.0,AB_hP2_187_a_d:Sr-Tb +mp-1187160,Sr3Tb,-2.2172743575,0.2084372575,0.2084372575,0.2084372575,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sr-Tb,8.0,A3B_hP8_194_h_c:Sr-Tb +mp-1186777,SrTb3,-3.6971891425,0.2009587958,0.2009587958,0.2009587958,GGA,I4/mmm,AB3_tI8_139_a_bd:Sr-Tb,4.0,AB3_tI8_139_a_bd:Sr-Tb +mp-1193989,Sr(TbS2)2,-6.3375084646,-2.4083620188,0.0,-0.0269755614,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:S-Sr-Tb,28.0,A4BC2_oP28_62_4c_c_2c:S-Sr-Tb +mp-532315,Sr17(Ta5S21)2,-6.5101792872,-1.8575697305,0.0,-0.0355083255,GGA,P1,A42B17C10_aP69_1_42a_17a_10a:S-Sr-Ta,69.0,A42B17C10_aP69_1_42a_17a_10a:S-Sr-Ta +mp-531358,Sr17(Ta5S21)2,-6.5043816864,-1.8517721296,0.0057976009,-0.0297107247,GGA,P1,A42B17C10_aP69_1_42a_17a_10a:S-Sr-Ta,69.0,A42B17C10_aP69_1_42a_17a_10a:S-Sr-Ta +mp-1187141,Sr3Ta,-3.327716505,0.9038479925,0.9038479925,0.9038479925,GGA,I4/mmm,A3B_tI8_139_ad_b:Sr-Ta,4.0,A3B_tI8_139_ad_b:Sr-Ta +mp-1209717,TiF6,-5.1476681671,-2.3813301926,0.2530158679,0.2530158679,GGA,C2/c,A6B_mC28_15_3f_c:F-Ti,14.0,"Invalid WP multiplicities - A6B_mC28_15_10f_a:F-Ti, expected TiF20 to be TiF6" +mp-282,TiF2,-6.9210810867,-3.0149311028,0.2484683774,0.2484683774,GGA,Fm-3m,A2B_cF12_225_c_a:F-Ti,3.0,A2B_cF12_225_c_a:F-Ti +mp-505113,TiSn6F16,-5.5559405489,-2.8369585217,0.0,-0.0241639257,GGA,C2/c,A16B6C_mC92_15_8f_3f_e:F-Sn-Ti,46.0,"Invalid WP multiplicities - A16B6C_mC92_15_27f_8f_e:F-Sn-Ti, expected TiSn16F54 to be TiSn6F16" +mp-634867,TiF3,-5.8120299475,-2.4045477177,1.2667766975,1.0530314867,GGA,C2/m,A3B_mC8_12_ae_d:F-Ti,4.0,A3B_mC8_12_ce_a:F-Ti +mp-1179375,TiF3,-6.8499568975,-3.4424746677,0.2288497475,0.0151045367,GGA,C2/c,A3B_mC16_15_ef_a:F-Ti,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_a:F-Ti, expected TiF8 to be TiF3" +mp-1178963,TiF3,-6.48268124,-3.0751990102,0.596125405,0.3823801942,GGA,R-3m,A3B_hR12_166_d_a:F-Ti,4.0,A3B_hR12_166_d_a:F-Ti +mp-562468,TiF3,-7.0764515187,-3.668969289,0.0023551263,-0.2113900846,GGA,R-3c,A3B_hR24_167_e_b:F-Ti,8.0,A3B_hR24_167_e_b:F-Ti +mp-246,TiF3,-7.078806645,-3.6713244152,0.0,-0.2137452108,GGA,Pm-3m,A3B_cP4_221_c_b:F-Ti,4.0,A3B_cP4_221_c_b:F-Ti +mp-1383199,TiF4,-6.721473465,-3.6131918877,0.074892597,-0.5438647763000001,GGA,P1,A4B_aP10_1_8a_2a:F-Ti,10.0,A4B_aP10_1_8a_2a:F-Ti +mp-28974,TiF4,-6.796366062,-3.6880844847,0.0,-0.6187573733,GGA,Pnma,A4B_oP60_62_12c_3c:F-Ti,60.0,A4B_oP60_62_12c_3c:F-Ti +mp-2273693,TbAsS,-6.1967719867,-1.720127196,0.0,-0.0599155853,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-Tb,6.0,ABC_tP6_129_a_c_c:As-S-Tb +mp-676498,Gd2PbS4,-8.7872191729,-1.8714061704,0.0537925475,0.0537925475,GGA,I-42d,A2BC4_tI28_122_d_a_e:Gd-Pb-S,14.0,A2BC4_tI28_122_d_a_e:Gd-Pb-S +mp-1188262,TbScS3,-6.9667621835,-2.2915252224,0.0037523655,0.0037523655,GGA,Pnma,A3BC_oP20_62_cd_a_c:S-Sc-Tb,20.0,A3BC_oP20_62_cd_a_c:S-Sc-Tb +mp-1217634,Tb3Sc2S7,-6.9356885525,-2.308756421,0.0,-0.0091784144,GGA,C2/m,A7B2C3_mC24_12_a3i_i_di:S-Sc-Tb,12.0,A7B2C3_mC24_12_a3i_i_ci:S-Sc-Tb +mp-10371,Cr2GaN,-8.058852815,-0.3911813431,0.0288039575,0.0288039575,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Cr-Ga-N,8.0,A2BC_hP8_194_f_c_a:Cr-Ga-N +mp-3000,Cr3GaN,-8.385373256,-0.3206265845,0.0221255208,0.0221255208,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cr-Ga-N,5.0,A3BC_cP5_221_c_a_b:Cr-Ga-N +mp-1246612,CrGaN2,-7.756441265,-0.4179079294,0.2562688638,0.2562688638,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cr-Ga-N,16.0,ABC2_oP16_33_a_a_2a:Cr-Ga-N +mp-1245715,Cr3(GaN2)2,-7.8644713989,-0.2687698261,0.3540406116,0.3540406116,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Cr-Ga-N,18.0,A3B2C4_mC36_15_ef_f_2f:Cr-Ga-N +mp-1245713,Cr3(GaN2)2,-7.8309527786,-0.2352512058,0.3875592318,0.3875592318,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Cr-Ga-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Cr-Ga-N +mp-1246317,CrGa2N3,-7.2358725467,-0.4494184983,0.2189716533,0.2189716533,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Ga-N,12.0,AB2C3_oC24_36_a_b_ab:Cr-Ga-N +mp-1246170,AlCrN2,-8.4096259919,-0.8917227044,0.2462441569,0.2462441569,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Cr-N,16.0,ABC2_oP16_33_a_a_2a:Al-Cr-N +mp-1247415,AlCrN2,-8.3410215905,-0.8231183030000001,0.3148485583,0.3148485583,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-Cr-N,64.0,ABC2_oP64_61_2c_2c_4c:Al-Cr-N +mp-1245895,AlCrN2,-8.4232921475,-0.90538886,0.2325780013,0.2325780013,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Cr-N,8.0,ABC2_tI16_122_a_b_d:Al-Cr-N +mp-1245994,AlCr2N3,-8.7695278292,-0.7593352383,0.229821575,0.229821575,GGA,Cmcm,AB2C3_oC24_63_c_g_cg:Al-Cr-N,12.0,AB2C3_oC24_63_c_g_cg:Al-Cr-N +mp-1246981,Al2CrN3,-8.0939285267,-1.0683145425,0.2184623667,0.2184623667,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Al-Cr-N,12.0,A2BC3_oC24_36_b_a_ab:Al-Cr-N +mp-1207923,YbBi2C,-3.8623217603,0.7499912478,1.1786669853,1.1786669853,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Yb,,A2BC_tP32_135_2h_h_g:Bi-C-Yb +mp-606671,Nd3InC,-3.572369758,1.684588546,2.002076434,1.9501780327,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Nd,5.0,ABC3_cP5_221_a_b_c:C-In-Nd +mp-20385,Nd3InC,-5.574446192,-0.317487888,0.0,-0.0518984013,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Nd,5.0,ABC3_cP5_221_b_a_c:C-In-Nd +mp-13264,Sm2Mo2C3,-8.6466802814,-0.2446132861,0.0,-0.0881721275,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-Sm,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-Sm +mp-975590,Kr,-0.0562023733,0.0005122967,0.0005122967,0.0005122967,GGA,R-3m,A_hR9_166_ac:Kr,3.0,A_hR9_166_ac:Kr +mp-567365,Kr,-0.05481878,0.00189589,0.00189589,0.00189589,GGA,P6_3/mmc,A_hP2_194_c:Kr,2.0,A_hP2_194_c:Kr +mp-976347,Kr,-0.0557455475,0.0009691225,0.0009691225,0.0009691225,GGA,P6_3/mmc,A_hP4_194_ac:Kr,4.0,A_hP4_194_2a2c:Kr +mp-612118,Kr,-0.05671467,0.0,0.0,0.0,GGA,Fm-3m,A_cF4_225_a:Kr,1.0,A_cF4_225_a:Kr +mp-974400,Kr,-0.05441248,0.00230219,0.00230219,0.00230219,GGA,Im-3m,A_cI2_229_a:Kr,1.0,A_cI2_229_a:Kr +mp-558928,KrF2,-1.669088,-0.3758637983,0.0,-0.3758637983,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Kr,6.0,A2B_tP6_136_f_a:F-Kr +mp-30009,KrF2,-1.6630844933,-0.3698602917,0.0060035067,-0.3698602917,GGA,I4/mmm,A2B_tI6_139_e_a:F-Kr,3.0,A2B_tI6_139_e_a:F-Kr +mp-30012,BiKrF7,-3.4833878522,-1.5636593442,0.0,-0.01330387,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Bi-F-Kr,36.0,AB7C_mP36_14_e_7e_e:Bi-F-Kr +mp-558168,Ba(AuF6)2,-3.8829652742,-1.7893328375,0.0,-0.0519929595,GGA,Pm-3m,A2BC12_cP60_221_g_ad_2m:Au-Ba-F,60.0,"Invalid WP multiplicities - A2BC12_cP60_221_g_a2d_23m:Au-Ba-F, expected Ba7(AuF69)8 to be Ba(AuF6)2" +mp-28719,Ba(AuF4)2,-4.3715355245,-2.2116654627,0.0,-0.1155780942,GGA,I-4,A2BC8_tI44_82_g_ac_4g:Au-Ba-F,22.0,"Invalid WP multiplicities - A2BC8_tI44_82_g_ac_5g:Au-Ba-F, expected Ba(AuF5)2 to be Ba(AuF4)2" +mp-1213210,Dy2Au5F21,-4.5816846118,-2.2343973976,0.0,-0.0145268126,GGA,P-1,A5B2C21_aP56_2_5i_2i_bc20i:Au-Dy-F,56.0,A5B2C21_aP56_2_5i_2i_bc20i:Au-Dy-F +mp-7523,Th2TeN2,-8.978197782,-2.0493953333,0.0,-0.3480165926,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:N-Te-Th,5.0,A2BC2_tI10_139_d_a_e:N-Te-Th +mp-989406,LaTcN3,-8.83488222,-0.773656055,0.0409553975,-0.1040300167,GGA,P2/m,AB3C_mP10_10_n_ad2m_m:La-N-Tc,10.0,"Invalid WP multiplicities - AB3C_mP10_10_n_cd3m_m:La-N-Tc, expected LaTcN4 to be LaTcN3" +mp-989619,LaTcN3,-8.8758376175,-0.8146114525,0.0,-0.1449854142,GGA,C2/c,AB3C_mC40_15_2e_3f_f:La-N-Tc,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_9f_f:La-N-Tc, expected La3(TcN9)2 to be LaTcN3" +mp-989593,LaTcN3,-8.842234127,-0.781007962,0.0336034905,-0.1113819237,GGA,R-3c,AB3C_hR30_167_a_e_b:La-N-Tc,10.0,AB3C_hR30_167_a_e_b:La-N-Tc +mp-1206201,Gd2Co2I,-9.466534476,-0.6980851920000001,0.0,-0.5184456513,GGA,P6_3/mmc,A2B2C_hP10_194_f_e_c:Co-Gd-I,10.0,A2B2C_hP10_194_f_e_c:Co-Gd-I +mp-980943,YTmRh2,-7.3215025175,-0.9037719483,0.01265977,0.01265977,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Rh-Tm-Y +mp-28585,Nb3ICl6,-5.8653015656,-1.5784514226000002,0.0,-0.0257313595,GGA,Pa-3,A6BC3_cP80_205_2d_c_d:Cl-I-Nb,80.0,A6BC3_cP80_205_2d_c_d:Cl-I-Nb +mp-1078445,Nd2BiN,-6.6863853988,-1.2580656688,0.0,-0.0071743738,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Bi-N-Nd,8.0,ABC2_tP8_129_c_c_ac:Bi-N-Nd +mp-864657,HoI3,-3.9337361275,-1.6831091475000002,0.0,-1.6831091475000002,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-I,8.0,AB3_hP8_194_c_h:Ho-I +mp-1205546,Ho2Co2I,-5.653697312,-0.6827333760000001,0.0,-0.0787390233,GGA,P6_3/mmc,A2B2C_hP10_194_f_e_c:Co-Ho-I,10.0,A2B2C_hP10_194_f_e_c:Co-Ho-I +mp-1245717,In3Pb3N5,-5.296592765,0.2557224191,0.29873106,0.29873106,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:In-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:In-N-Pb +mp-1246463,In8PbN6,-4.720648186,0.3290242447,0.3924169171,0.3924169171,GGA,Cm,A8B6C_mC90_8_4a10b_2a8b_ab:In-N-Pb,45.0,"Invalid WP multiplicities - A8B6C_mC90_8_4a18b_2a15b_ab:In-N-Pb, expected In40Pb3N32 to be In8PbN6" +mp-1246204,In2Pb3N4,-5.2218856733,0.3322574789,0.3673015567,0.3673015567,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:In-N-Pb,18.0,A2B4C3_mC36_15_f_2f_ef:In-N-Pb +mp-755740,TbHoO3,-8.725198068000001,-3.9138298473,0.0955574118,0.0955574118,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ho-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ho-O-Tb, expected TbHoO7 to be TbHoO3" +mp-1093700,CaYPt2,-4.1450048575,1.0085795508,2.078358304,2.078358304,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pt-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Pt-Y +mp-1183571,CaYPt2,-6.204569235,-1.0509848267,0.0187939265,0.0187939265,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Pt-Y,4.0,AB2C_cF16_225_a_c_b:Ca-Pt-Y +mp-1396678,FeF4,-5.18217454,-1.958987124,0.1945306151,0.1945306151,GGA+U,I4/mcm,A4B_tI20_140_l_d:F-Fe,10.0,A4B_tI20_140_l_d:F-Fe +mp-1181783,FeF3,-6.1818245387,-2.6307100106,0.0079378208,-0.4342842019,GGA+U,C2/c,A3B_mC16_15_ef_c:F-Fe,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_c:F-Fe, expected FeF8 to be FeF3" +mp-1096967,FeF3,-6.1897623596,-2.6386478315,0.0,-0.4422220227,GGA+U,Cmcm,A3B_oC48_63_cfgh_ad:F-Fe,24.0,A3B_oC48_63_cfgh_ad:F-Fe +mp-1181398,FeF3,-6.1517343417,-2.6006198135,0.0380280179,-0.4041940048,GGA+U,P321,A3B_hP12_150_eg_bd:F-Fe,12.0,"Invalid WP multiplicities - A3B_hP12_150_3e4g_b2d:F-Fe, expected Fe5F33 to be FeF3" +mp-22398,FeF3,-6.1828752025,-2.6317606744,0.0068871571,-0.4353348656,GGA+U,R-3c,A3B_hR24_167_e_b:F-Fe,8.0,A3B_hR24_167_e_b:F-Fe +mp-558852,FeF3,-6.178664325,-2.6275497969,0.0110980346,-0.4311239881,GGA+U,Pm-3m,A3B_cP4_221_c_b:F-Fe,4.0,A3B_cP4_221_c_b:F-Fe +mp-559450,FeF3,-6.1786010769,-2.6274865488,0.0111612827,-0.43106074,GGA+U,Fd-3m,A3B_cF64_227_f_c:F-Fe,16.0,A3B_cF64_227_f_c:F-Fe +mp-556911,FeF2,-6.689816665,-2.59215695,0.0,-0.2466922109,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:F-Fe,6.0,A2B_tP6_136_f_a:F-Fe +mp-1213622,FeF6,-4.4474969214,-1.5990833479000002,0.0,-0.091284587,GGA+U,C2/c,A6B_mC28_15_3f_c:F-Fe,14.0,"Invalid WP multiplicities - A6B_mC28_15_10f_a:F-Fe, expected FeF20 to be FeF6" +mp-1206605,HfFeF6,-7.15453176,-3.4175212544,0.1340066073,0.1340066073,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Fe-Hf,8.0,A6BC_cF32_225_e_a_b:F-Fe-Hf +mp-1184279,Fe3F,-6.143735575,0.6866500744,1.6587089306,1.6587089306,GGA+U,Pm-3m,AB3_cP4_221_a_c:F-Fe,4.0,AB3_cP4_221_a_c:F-Fe +mp-7538,LaErO3,-8.808138028,-3.9393796183,0.0270023546,0.0270023546,GGA,Pnma,ABC3_oP20_62_a_c_cd:Er-La-O,20.0,ABC3_oP20_62_a_c_cd:Er-La-O +mp-557691,La2O3,-8.7877187513,-3.8453026826,0.0296037899,-0.7088630653,GGA,C2/m,A2B3_mC30_12_3i_a4i:La-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_6i_a7i:La-O, expected La4O5 to be La2O3" +mp-1968,La2O3,-8.792923464,-3.8505073953,0.0243990772,-0.7140677780000001,GGA,P-3m1,A2B3_hP5_164_d_ad:La-O,5.0,A2B3_hP5_164_d_ad:La-O +mp-553347,La2O3,-8.576910994,-3.6344949253,0.2404115472,-0.498055308,GGA,P-62m,A2B3_hP5_189_c_g:La-O,5.0,A2B3_hP5_189_c_g:La-O +mp-1180635,La2O3,-8.583452316,-3.6410362473,0.2338702252,-0.50459663,GGA,P6/mmm,A2B3_hP5_191_c_g:La-O,5.0,A2B3_hP5_191_c_g:La-O +mp-2292,La2O3,-8.8173225413,-3.8749064725,0.0,-0.7384668552,GGA,Ia-3,A2B3_cI80_206_ad_e:La-O,40.0,A2B3_cI80_206_ad_e:La-O +mp-33032,La2O3,-7.92664745,-2.9842313813,0.8906750913,0.152208236,GGA,Pm-3m,A2B3_cP5_221_ab_c:La-O,5.0,A2B3_cP5_221_ab_c:La-O +mp-1206710,LaO,-8.1463137,-3.2049657919,0.0241229352,0.0241229352,GGA,Fm-3m,AB_cF8_225_a_b:La-O,2.0,AB_cF8_225_a_b:La-O +mp-936202,LaO3,-6.3670701162,-1.4230518066,0.9987647388,0.9987647388,GGA,P-1,AB3_aP8_2_i_3i:La-O,8.0,"Invalid WP multiplicities - AB3_aP8_2_i_6i:La-O, expected LaO6 to be LaO3" +mp-1405076,LaO3,-6.64938667,-1.7053683603,0.7164481850000001,0.7164481850000001,GGA,P-1,AB3_aP8_2_i_3i:La-O,8.0,"Invalid WP multiplicities - AB3_aP8_2_i_6i:La-O, expected LaO6 to be LaO3" +mp-723463,LaO3,-6.97519305,-2.0311747403,0.390641805,0.390641805,GGA,P6_3/m,AB3_hP8_176_c_h:La-O,8.0,AB3_hP8_176_c_h:La-O +mp-785008,La9ErO15,-1.3236337928,3.6040507441,7.4972523167,7.4972523167,GGA,P1,AB9C15_aP25_1_a_9a_15a:Er-La-O,25.0,AB9C15_aP25_1_a_9a_15a:Er-La-O +mp-766452,La9ErO15,-8.781014138,-3.8533296011,0.0398719715,0.0398719715,GGA,P1,AB9C15_aP25_1_a_9a_15a:Er-La-O,25.0,AB9C15_aP25_1_a_9a_15a:Er-La-O +mp-1346713,La9ErO15,-6.6642376736,-1.7365531367,2.1566484359,2.1566484359,GGA,P1,AB9C15_aP25_1_a_9a_15a:Er-La-O,25.0,AB9C15_aP25_1_a_9a_15a:Er-La-O +mp-1206559,LaO2,-8.0338836767,-3.0907555008,0.1383332263,0.1383332263,GGA,P2_1/m,AB2_mP6_11_e_2e:La-O,6.0,AB2_mP6_11_e_2e:La-O +mp-1187211,Ta2RuW,-11.7700627525,-0.283040745,0.0,-0.0712132858,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ru-Ta-W,4.0,AB2C_cF16_225_a_c_b:Ru-Ta-W +mp-30159,AuBrF6,-3.3457730344,-1.3088000175,0.0,-0.0160070147,GGA,P2_1,ABC6_mP16_4_a_a_6a:Au-Br-F,16.0,ABC6_mP16_4_a_a_6a:Au-Br-F +mp-1096844,BiB6,-5.9416256171,0.3322086336,0.3322086336,0.3322086336,GGA,Pm-3m,A6B_cP7_221_e_b:B-Bi,7.0,A6B_cP7_221_e_b:B-Bi +mp-1183440,BiB,-4.4490905425000005,0.8108499079,0.8108499079,0.8108499079,GGA,P6_3mc,AB_hP4_186_b_b:B-Bi,4.0,AB_hP4_186_b_b:B-Bi +mp-1006880,BiB,-4.463409955,0.7965304954,0.7965304954,0.7965304954,GGA,F-43m,AB_cF8_216_a_c:B-Bi,2.0,AB_cF8_216_a_c:B-Bi +mp-631511,BiBTe,-3.5906601433,0.9637354547,1.2535360886,1.2535360886,GGA,F-43m,ABC_cF12_216_c_a_b:B-Bi-Te,3.0,ABC_cF12_216_c_a_b:B-Bi-Te +mp-1191193,BiB5,-5.0242098425,1.1820314882,1.1820314882,1.1820314882,GGA,P-1,A5B_aP24_2_10i_2i:B-Bi,24.0,A5B_aP24_2_10i_2i:B-Bi +mp-1079288,Pr(PRh)2,-7.161241219,-1.0940159173,0.0,-0.043315471,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:P-Pr-Rh,10.0,A2BC2_tP10_129_ac_c_bc:P-Pr-Rh +mp-1207294,Pr2(PRh)3,-5.4778627487,0.5089675813,1.6115868172,1.6115868172,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:P-Pr-Rh,8.0,A3B2C3_tP8_123_ag_g_bg:P-Pr-Rh +mp-1025270,GaPPt5,-5.9892817143,-0.4468438387,0.0,-0.0150650957,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Ga-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Ga-P-Pt +mp-1218983,SmThB12,-7.0575545,-0.4657583832,0.00610735,0.00610735,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Sm-Th,14.0,A12BC_cF56_225_g_a_b:B-Sm-Th +mp-504877,HoB7Mo3,-8.1885021011,-0.5634928652,0.0,-0.0088555125,GGA,Pnma,A7BC3_oP44_62_7c_c_3c:B-Ho-Mo,44.0,A7BC3_oP44_62_7c_c_3c:B-Ho-Mo +mp-1191115,HoB4Mo,-7.6578340733,-0.6335630628000001,0.0,-0.0352665578,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Mo,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Mo +mp-1212287,Ho3B7Mo,-7.0938833645,-0.6076452631,0.0011497145,0.0011497145,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Ho-Mo,22.0,A7B3C_oC44_63_c3f_cf_c:B-Ho-Mo +mp-1205558,HoB3Mo,-7.721558506,-0.6283116475,0.0,-0.048775836,GGA,P2_1/m,A3BC_mP10_11_3e_e_e:B-Ho-Mo,10.0,A3BC_mP10_11_3e_e_e:B-Ho-Mo +mp-1018627,ScBPt3,-6.881144814,-0.6360926468,0.1958805302,0.1958805302,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pt-Sc,5.0,AB3C_cP5_221_b_c_a:B-Pt-Sc +mp-978921,Tb(BIr)4,-7.976986985,-0.5652458846,0.0,-0.0572162785,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Tb,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Tb +mp-1079255,Tb(BIr)2,-7.879227923,-0.7452243227,0.0,-0.0575716282,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Tb,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Tb +mp-1209570,Tb(BIr)2,-3.3024340605,3.8315695398,4.5767938625,4.5192222343,GGA,P4_2/n,A2B2C_tP20_86_g_g_c:B-Ir-Tb,20.0,A2B2C_tP20_86_g_g_c:B-Ir-Tb +mp-1208492,Tb(BIr)2,-7.5424651895,-0.4084615892,0.3367627335,0.2791911053,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-Ir-Tb,20.0,A2B2C_tI40_141_h_h_c:B-Ir-Tb +mp-1025075,TbB2Ir3,-8.1097289883,-0.6916536247,0.0,-0.0630372817,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Tb,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Tb +mp-1189367,Nd(P3Ru)4,-6.9409769282,-0.6571305946,0.0004864596,0.0004864596,GGA,Im-3,AB12C4_cI34_204_a_g_c:Nd-P-Ru,17.0,AB12C4_cI34_204_a_g_c:Nd-P-Ru +mp-1202750,Nd5P12Ru19,-8.1922484467,-0.830748016,0.0,-0.0578914444,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Nd-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:Nd-P-Ru +mp-568055,Nd(PRu)2,-7.843321622,-1.0146101168,0.0,-0.060444979,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Nd-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Nd-P-Ru +mp-1191933,PrCrB4,-7.3440652642,-0.4854785461,0.0318048525,0.0318048525,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Pr,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Pr +mp-1095025,Pr(CrB3)2,-7.6463089144,-0.5170476567,0.0200440619,0.0200440619,GGA,Immm,A6B2C_oI18_71_en_g_c:B-Cr-Pr,9.0,A6B2C_oI18_71_en_g_c:B-Cr-Pr +mp-980055,YErMg2,-3.6440362325,-0.0853487267,0.00351738,0.00351738,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Mg-Y,4.0,AB2C_cF16_225_a_c_b:Er-Mg-Y +mp-1189962,PrScS3,-7.007649549,-2.3031046569,0.0,-0.0179258267,GGA,Pnma,AB3C_oP20_62_c_cd_a:Pr-S-Sc,20.0,AB3C_oP20_62_c_cd_a:Pr-S-Sc +mp-13283,Sm(ErS2)3,-6.704884777,-2.3808406004,0.0,-0.0141526756,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:Er-S-Sm,20.0,A3B6C_mP20_11_3e_6e_e:Er-S-Sm +mp-1219178,Sm3ErS4,-6.656949405,-2.2482898197,0.0079114975,0.0079114975,GGA,Pmmm,AB4C3_oP8_47_a_cdk_bl:Er-S-Sm,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_cd2k_b2l:Er-S-Sm, expected Sm5ErS6 to be Sm3ErS4" +mp-1203078,Sm4(ErS2)11,-6.6729836489,-2.3453850402,0.0286938119,0.0286938119,GGA,C2/m,A11B22C4_mC74_12_a5i_11i_2i:Er-S-Sm,37.0,A11B22C4_mC74_12_a5i_11i_2i:Er-S-Sm +mp-1199023,Dy2ZrS5,-6.9877155428,-2.1822750873,0.0,-0.0075951941,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Dy-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Dy-S-Zr +mp-1185223,LaTb3,-4.673804005,0.0359723462,0.0359723462,0.0359723462,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Tb,4.0,AB3_tI8_139_a_bd:La-Tb +mp-972257,LaTb3,-4.67946242,0.0303139312,0.0303139312,0.0303139312,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Tb,8.0,AB3_hP8_194_c_h:La-Tb +mp-1222729,LaTbC4,-7.9153403433,-0.1678344808,0.0278985247,0.0278985247,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-La-Tb,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-La-Tb, expected LaTbC8 to be LaTbC4" +mp-1185152,La3Tb,-4.82897648,0.0316203738,0.0316203738,0.0316203738,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Tb,4.0,A3B_tI8_139_ad_b:La-Tb +mp-1225512,DyHoC4,-7.87503689,-0.19106061,0.0664053262,0.0664053262,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Dy-Ho,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Dy-Ho, expected DyHoC6 to be DyHoC4" +mp-1173469,Sm3Th5F27,-7.1980915486,-4.2599492121,0.1568949114,0.1568949114,GGA,Pm,A27B3C5_mP35_6_13a14b_3a_a4b:F-Sm-Th,35.0,A27B3C5_mP35_6_13a14b_3a_a4b:F-Sm-Th +mp-1245696,Ni4IrN4,-7.0145131,0.2415936333,0.2769080148,0.2769080148,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ir-N-Ni,18.0,AB4C4_aP18_2_i_4i_4i:Ir-N-Ni +mp-1093710,YPtAu2,-3.256068465,1.5152736433,2.3137132775,2.3137132775,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pt-Y,4.0,A2BC_oI8_71_e_a_b:Au-Pt-Y +mp-1097356,Y2PtAu,-4.1415503375,1.4279390492,2.4989337075,2.4989337075,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Au-Pt-Y +mp-531110,Ca9PrF20,-6.1796906772,-4.1443278763,0.0496969684,0.0496969684,GGA,P-1,A9B20C_aP60_2_9i_20i_i:Ca-F-Pr,60.0,"Invalid WP multiplicities - A9B20C_aP60_2_16i_38i_i:Ca-F-Pr, expected Ca16PrF38 to be Ca9PrF20" +mp-867858,ScUTc2,-9.7508013925,-0.1645121412,0.0642635344,0.0642635344,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sc-Tc-U,4.0,AB2C_cF16_225_a_c_b:Sc-Tc-U +mp-1006256,CeYTl2,-4.5923651575,-0.3111535171,0.0014488425,0.0014488425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Ce-Tl-Y +mp-1206188,CaTlI3,-3.256533485,-1.4988650697,0.016393085,0.016393085,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Ca-I-Tl,10.0,AB3C_oC20_63_a_cf_c:Ca-I-Tl +mp-864983,MnVRu2,-9.3635636275,-0.164882017,0.0,-0.02284099,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ru-V,4.0,AB2C_cF16_225_a_c_b:Mn-Ru-V +mp-1096380,MnV2Ru,-5.8000561775,3.3510013155,3.6098921625,3.6098921625,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Ru-V,4.0,ABC2_oI8_71_a_b_e:Mn-Ru-V +mp-1186006,MnV2Ru,-9.4047517925,-0.2536942995,0.0051965475,0.0051965475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Ru-V,4.0,ABC2_cF16_225_a_b_c:Mn-Ru-V +mp-1187509,YbYPt2,-6.207093895,-1.1700073867,0.0,-0.0086418426,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pt-Y-Yb,,A2BC_cF16_225_c_a_b:Pt-Y-Yb +mp-23520,InPb2I5,-3.0230774544,-0.8301012519000001,0.0564042119,0.0564042119,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:I-In-Pb,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:I-In-Pb, expected InPb2I9 to be InPb2I5" +mp-11436,Er(VGa2)2,-5.3843699857,-0.4060964086,0.0,-0.019922479,GGA,I4/mmm,AB4C2_tI14_139_a_h_d:Er-Ga-V,7.0,AB4C2_tI14_139_a_h_d:Er-Ga-V +mp-1245573,LiPtN,-5.4756509625,-0.0368005919,0.4368495047,0.4368495047,GGA,Pnma,ABC_oP12_62_c_c_c:Li-N-Pt,12.0,ABC_oP12_62_c_c_c:Li-N-Pt +mp-1245578,LiPtN,-5.6536169467,-0.2147665761,0.2588835206,0.2588835206,GGA,P-6m2,ABC_hP3_187_c_a_b:Li-N-Pt,3.0,ABC_hP3_187_c_a_b:Li-N-Pt +mp-1247467,HfPbN2,-8.4854221988,-0.8997157113,0.191263476,0.191263476,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Hf-N-Pb,8.0,AB2C_tP8_129_c_ac_c:Hf-N-Pb +mp-1215971,YGePd,-6.3418679817,-0.9187410556,0.076662725,-0.0119550675,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Pd-Y,6.0,ABC_mC12_12_i_i_i:Ge-Pd-Y +mp-1190225,YGePd,-6.4185307067,-0.9954037806,0.0,-0.0886177925,GGA,Imm2,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Y,18.0,ABC_oI36_44_3c_3c_ab2c:Ge-Pd-Y +mp-1207628,YGe2Pd,-5.9924735825,-0.7693714242,0.0,-0.0228185888,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pd-Y,16.0,A2BC_oI32_71_efm_m_ei:Ge-Pd-Y +mp-1207627,YGePd2,-6.2752326312,-0.9129169842,0.0,-0.0365144435,GGA,Pnma,AB2C_oP16_62_c_d_c:Ge-Pd-Y,16.0,AB2C_oP16_62_c_d_c:Ge-Pd-Y +mp-1093911,YGePd2,-3.901267085,1.4610485621,2.3739655462,2.3374511027,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Ge-Pd-Y +mp-1205800,Y2Ge6Pd,-5.6085113333,-0.5139567593000001,0.0416697556,0.0416697556,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Y,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pd-Y +mp-1093907,Y2GePd,-4.0032046575,1.6807583154,2.5904518489,2.5904518489,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Ge-Pd-Y +mp-1228867,As4PRh10,-7.03971028,-0.5268532916,0.0,-0.0096213047,GGA,R-3m,A4BC10_hR45_166_2c_a_5c:As-P-Rh,15.0,"Invalid WP multiplicities - A4BC10_hR45_166_3c_a_10c:As-P-Rh, expected As6PRh20 to be As4PRh10" +mp-1228758,AsPRh4,-7.18537236,-0.5970969614,0.0113058137,0.0113058137,GGA,R-3m,ABC4_hR18_166_a_b_2c:As-P-Rh,6.0,"Invalid WP multiplicities - ABC4_hR18_166_a_b_3c:As-P-Rh, expected AsPRh6 to be AsPRh4" +mp-1190549,GeO2,-6.87170859,-2.0329068308,0.0450142322,-0.4256665127,GGA,C2/c,AB2_mC48_15_2f_ce3f:Ge-O,24.0,AB2_mC48_15_2f_ae3f:Ge-O +mp-1072104,GeO2,-6.9109338367,-2.0721320775,0.0057889856,-0.4648917594,GGA,Pnnm,AB2_oP6_58_a_g:Ge-O,6.0,AB2_oP6_58_a_g:Ge-O +mp-10913,GeO2,-6.8758293167,-2.0370275575,0.0408935056,-0.4297872394,GGA,Pbcn,AB2_oP12_60_c_d:Ge-O,12.0,AB2_oP12_60_c_d:Ge-O +mp-7812,GeO2,-6.9161338725,-2.0773321133,0.0005889497,-0.4700917952,GGA,P4_12_12,AB2_tP12_92_a_b:Ge-O,12.0,AB2_tP12_92_a_b:Ge-O +mp-470,GeO2,-6.9129309983,-2.0741292392,0.0037918239,-0.4668889211,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ge-O,6.0,AB2_tP6_136_a_f:Ge-O +mp-733,GeO2,-6.9167228222,-2.0779210631,0.0,-0.4706807449,GGA,P3_121,AB2_hP9_152_a_c:Ge-O,9.0,AB2_hP9_152_a_c:Ge-O +mp-20893,GeO2,-5.3714320944,-0.5326303353,1.5452907278,1.0746099828,GGA,P3_121,AB2_hP9_152_a_c:Ge-O,9.0,AB2_hP9_152_a_c:Ge-O +mp-223,GeO2,-6.9166873933,-2.0778856342,3.54289e-05,-0.4706453161,GGA,P3_221,AB2_hP9_154_a_c:Ge-O,9.0,AB2_hP9_154_a_c:Ge-O +mp-2633,GeO2,-6.6921200625,-1.8533183033,0.2246027597,-0.2460779852,GGA,Pa-3,AB2_cP12_205_a_c:Ge-O,12.0,AB2_cP12_205_a_c:Ge-O +mp-982048,Ge2O3,-6.304884716,-1.4876603473,0.3824686095,0.3824686095,GGA,Pm-3m,A2B3_cP5_221_ab_c:Ge-O,5.0,A2B3_cP5_221_ab_c:Ge-O +mp-731900,Ge7O16,-6.507414843,-1.6592316098,0.2380006652,0.2380006652,GGA,P-43m,A7B16_cP23_215_ce_ei:Ge-O,23.0,A7B16_cP23_215_ce_ei:Ge-O +mp-1184557,GePdO3,-5.8652823220000005,-0.9366871622,0.6262504963000001,0.6262504963000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Pd,5.0,AB3C_cP5_221_b_c_a:Ge-O-Pd +mp-1184665,Ge3O,-4.6225402325000005,0.0814028366,0.8606232352000001,0.8606232352000001,GGA,I4/mmm,A3B_tI8_139_ad_b:Ge-O,4.0,A3B_tI8_139_ad_b:Ge-O +mp-1181291,Ge7O23,-5.6686308667,-0.7974630219000001,0.6570817223000001,0.6570817223000001,GGA,P-43m,A7B23_cP30_215_ce_d2ei:Ge-O,30.0,A7B23_cP30_215_ce_d2ei:Ge-O +mp-1224586,Ge5O11,-6.4787100775,-1.6331653838,0.3148856128,0.3148856128,GGA,Cm,A5B11_mC64_8_4a3b_4a9b:Ge-O,32.0,A5B11_mC64_8_4a3b_4a9b:Ge-O +mp-7935,USbTe,-6.9518745017,-0.7639687872,0.0,-0.0915819625,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sb-Te-U,6.0,ABC_tP6_129_a_c_c:Sb-Te-U +mp-1216679,U2SbTe,-7.9531019225,-0.4893201342,0.0836564563,0.0836564563,GGA,R-3m,ABC2_hR12_166_a_b_c:Sb-Te-U,4.0,ABC2_hR12_166_a_b_c:Sb-Te-U +mp-1200412,Y3Ge13Ir4,-6.2602212882,-0.5175956795000001,0.0110303595,0.0110303595,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Y,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Y +mp-580930,YGe2Ir,-6.9434217231,-0.8056814723,0.0,-0.0260472786,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-Y,16.0,"Invalid WP multiplicities - A2BC_oI32_71_2e2f2m_m_2ei:Ge-Ir-Y, expected Y3(Ge4Ir)2 to be YGe2Ir" +mp-1196414,Y5(Ge5Ir2)2,-6.7799425255,-0.7843440604,0.0,-0.0046568766,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Y,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Y +mp-1102373,YGeIr,-7.5805944383,-0.9379500556,0.0,-0.1094518092,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Y,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Y +mp-541609,Y2Ge5Ir3,-6.9795290925,-0.7231906883,0.0,-0.0098614997,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Y,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-Y +mp-1100399,HfAgB,-5.5814516967,0.9082605714,1.4555748131,1.4555748131,GGA,F-43m,ABC_cF12_216_a_b_c:Ag-B-Hf,3.0,ABC_cF12_216_a_b_c:Ag-B-Hf +mp-36305,Pr2UTe4,-6.163489805,-1.3882833631,0.0482367079,0.0482367079,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-Te-U,14.0,A2B4C_tI28_122_d_e_a:Pr-Te-U +mp-1219811,PrUTe6,-5.413580895,-1.0470620044,0.0388604475,0.0388604475,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Pr-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Pr-Te-U +mp-1220033,Pr2UTe5,-5.9554590006,-1.3842401273,0.0451946464,0.0451946464,GGA,C2,A2B5C_mC32_5_2c_2a4c_c:Pr-Te-U,16.0,"Invalid WP multiplicities - A2B5C_mC32_5_4c_2a7c_c:Pr-Te-U, expected Pr4UTe8 to be Pr2UTe5" +mp-1189918,DyB2Os,-7.8719938313,-0.5737593783,0.0,-0.006231379,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Dy-Os,16.0,A2BC_oP16_62_d_c_c:B-Dy-Os +mp-1192250,DyB4Os,-7.6744926025,-0.5825390436,0.0,-0.0308057046,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Os,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Os +mp-1198294,Dy2B6Os,-7.378027280299999,-0.6538837542,0.0,-0.0675284447,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Dy-Os,36.0,A6B2C_oP36_55_6h_2g_g:B-Dy-Os +mp-7348,Sr(BRh)2,-6.50544407,-0.550065523,0.0,-0.0199373083,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Rh-Sr,10.0,A2B2C_oF40_70_e_f_a:B-Rh-Sr +mp-568771,Sr3(B3Rh4)2,-6.6742824518,-0.5531475138,0.0,-0.0045671608,GGA,Fmmm,A6B8C3_oF68_69_gn_fij_ai:B-Rh-Sr,17.0,"Invalid WP multiplicities - A6B8C3_oF68_69_2g2n_2f2i3j_a2i:B-Rh-Sr, expected Sr5(B3Rh5)4 to be Sr3(B3Rh4)2" +mp-8896,Sr2B4Rh5,-6.6381136982,-0.5546506673,0.0,-0.0022036059,GGA,Fmmm,A4B5C2_oF44_69_n_acf_g:B-Rh-Sr,11.0,A4B5C2_oF44_69_n_acf_g:B-Rh-Sr +mp-28706,Sr5(B5Rh7)2,-6.6936889131,-0.5439752871,0.0,-0.003543808,GGA,Fmmm,A10B14C5_oF116_69_g2n_f2i2j_a2i:B-Rh-Sr,29.0,A10B14C5_oF116_69_g2n_f2i2j_a2i:B-Rh-Sr +mp-17236,Ba(Ni2B)6,-6.1719881847,-0.3110952518,0.0,-0.0289323453,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Ba-Ni,19.0,"Invalid WP multiplicities - A6BC12_hR57_166_h_a_4g3h:B-Ba-Ni, expected Ba(Ni7B)6 to be Ba(Ni2B)6" +mp-29219,Ba2(Ni3B2)3,-5.9350621126,-0.2917956053,0.0111784522,0.0111784522,GGA,R-3c,A6B2C9_hR102_167_f_c_ef:B-Ba-Ni,34.0,"Invalid WP multiplicities - A6B2C9_hR102_167_f_c_e2f:B-Ba-Ni, expected Ba2(Ni5B2)3 to be Ba2(Ni3B2)3" +mp-1190153,Ba(NiB)2,-5.4191121,-0.0515057317,0.2411814797,0.2411814797,GGA,P-1,A2BC2_aP20_2_4i_2i_4i:B-Ba-Ni,20.0,A2BC2_aP20_2_4i_2i_4i:B-Ba-Ni +mp-1237990,Ba(NiB)2,-5.2022318805,0.1653744878,0.4580616992,0.4580616992,GGA,Pnnm,A2BC2_oP20_58_2g_g_2g:B-Ba-Ni,20.0,A2BC2_oP20_58_2g_g_2g:B-Ba-Ni +mp-1096328,Y2ZnPb,-2.57613622,1.9001970067,2.4179315679,2.4179315679,GGA,Immm,AB2C_oI8_71_a_e_b:Pb-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Pb-Y-Zn +mp-1096269,LiYZn2,-1.20326194,1.52045836,1.8131880125,1.8131880125,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Li-Y-Zn +mp-1096310,LiY2Zn,-1.8447731175,2.1806290583,2.3640184775,2.3640184775,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Li-Y-Zn +mp-1219611,Re3Ni2P5,-7.796902251,-0.2008655062,0.2092905683,0.2092905683,GGA,Imm2,A2B5C3_oI40_44_4a_5c_a5b:Ni-P-Re,20.0,"Invalid WP multiplicities - A2B5C3_oI40_44_4a_10c_a5b:Ni-P-Re, expected Re3(NiP5)2 to be Re3Ni2P5" +mp-20987,YZnSn,-4.5182942375,-0.6063653781,0.0,-0.0576479303,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Sn-Y-Zn,12.0,"Invalid WP multiplicities - ABC_hP12_194_f_2a2b_f:Sn-Y-Zn, expected Y2ZnSn to be YZnSn" +mp-1080779,YZnSn2,-4.39790176,-0.4615621517,0.0118343393,0.0118343393,GGA,P4/nmm,A2BC_tP8_129_ac_c_b:Sn-Y-Zn,8.0,A2BC_tP8_129_ac_c_b:Sn-Y-Zn +mp-1093903,AlVRe2,-5.52666794,3.9029661275,4.1930377737,4.1930377737,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Re-V,4.0,AB2C_oI8_71_a_e_b:Al-Re-V +mp-1258362,AlVRe2,-5.52686713,3.9027669375,4.1928385837,4.1928385837,GGA,I4/mmm,AB2C_tI8_139_a_e_b:Al-Re-V,4.0,AB2C_oI8_71_a_e_b:Al-Re-V +mp-1199006,Tb2HfS5,-7.1887692338,-2.2002479132,0.0018321428,0.0018321428,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Hf-S-Tb,32.0,AB5C2_oP32_62_c_3cd_d:Hf-S-Tb +mp-1226480,CeUSi4,-6.923328085,-0.4356995375,0.0233472546,0.0233472546,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Ce-Si-U,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Ce-Si-U, expected CeUSi8 to be CeUSi4" +mp-21206,Yb3GaC,-3.307960216,0.067157055,0.3177384633,0.3177384633,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Yb,,ABC3_cP5_221_b_a_c:C-Ga-Yb +mp-1247069,Cd3(GaN2)2,-4.5966509678000005,0.088998035,0.3809166433,0.3809166433,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Cd-Ga-N,18.0,A3B2C4_mC36_15_ef_f_2f:Cd-Ga-N +mp-1245961,Cd3(GaN2)2,-4.6001445242,0.0855044786,0.3774230869,0.3774230869,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Cd-Ga-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Cd-Ga-N +mp-1245997,Cd3Ga3N5,-4.8586350264,0.0082224257,0.3664861723,0.3664861723,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Cd-Ga-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Cd-Ga-N +mp-1184716,GdYRu2,-8.745650405,1.0271992033,1.2979035748,1.2979035748,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Gd-Ru-Y +mp-570853,SrCeI4,-4.0163918083,-1.7637171403,0.0,-0.000900651,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ce-I-Sr,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Ce-I-Sr, expected SrCeI10 to be SrCeI4" +mp-866166,Y2PdRu,-7.4700025225,-0.6231958783,0.0,-0.0066132272,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pd-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Pd-Ru-Y +mp-989614,LaReN3,-9.394924193,-0.91692038,0.042172034,-0.2627050603,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:La-N-Re,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_10e_e:La-N-Re, expected LaReN10 to be LaReN3" +mp-989581,LaReN3,-9.437096227,-0.959092414,0.0,-0.3048770943,GGA,R-3c,AB3C_hR30_167_a_e_b:La-N-Re,10.0,AB3C_hR30_167_a_e_b:La-N-Re +mp-989602,LaReN3,-9.429453882,-0.951450069,0.007642345,-0.2972347493,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-N-Re,5.0,AB3C_cP5_221_a_c_b:La-N-Re +mp-1214004,CaThI6,-3.9487773312,-1.6663203025,0.0443290641,0.0443290641,GGA,P-31c,AB6C_hP16_163_c_i_b:Ca-I-Th,16.0,AB6C_hP16_163_c_i_b:Ca-I-Th +mp-1245551,CuOsN2,-7.607166225,0.3927247625,0.3927247625,0.3927247625,GGA,Cmcm,AB2C_oC16_63_a_f_c:Cu-N-Os,8.0,AB2C_oC16_63_a_f_c:Cu-N-Os +mp-1097297,LaYIr2,-5.6227847425,1.6470519021,2.4108438975,2.4108438975,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-La-Y,4.0,A2BC_oI8_71_e_a_b:Ir-La-Y +mp-1029536,MgZrN2,-8.189688845,-1.4844462125,0.025828955,-0.131154748,GGA,Pnma,AB2C_oP16_62_c_2c_c:Mg-N-Zr,16.0,AB2C_oP16_62_c_2c_c:Mg-N-Zr +mp-1245429,MgZrN2,-8.2155178,-1.5102751675,0.0,-0.156983703,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Mg-N-Zr,8.0,AB2C_tI16_141_a_e_b:Mg-N-Zr +mp-1247282,Mg4ZrN4,-6.4388351189,-1.0727461711,0.0959988149,0.0959988149,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mg-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Mg-N-Zr +mp-561735,Cs7O,-1.8618813379,-0.4600681735,0.0041802056,0.0041802056,GGA,P-6m2,A7B_hP24_187_ah2j2kn_j:Cs-O,24.0,"Invalid WP multiplicities - A7B_hP24_187_a2h5j6k6n_j:Cs-O, expected Cs74O3 to be Cs7O" +mp-1063779,Cs2O2,-3.80262242,-0.8815768783,0.34957022,0.2074558653,GGA,Cmcm,AB_oC8_63_c_c:Cs-O,4.0,AB_oC8_63_c_c:Cs-O +mp-1391102,BiO2,-5.8689151125,-1.290959595,0.1861677875,0.1647326364,GGA,Imma,AB2_oI24_74_ac_hi:Bi-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_2a2c_2h3i:Bi-O, expected Bi2O5 to be BiO2" +mp-1041597,BiO2,-6.0343627667,-1.4564072492,0.0207201333,-0.0007150178,GGA,Imma,AB2_oI24_74_ae_hi:Bi-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_ae_3h2i:Bi-O, expected BiO5 to be BiO2" +mp-1402765,BiO2,-5.9653725458,-1.3874170283,0.0897103542,0.068275203,GGA,I4/m,AB2_tI24_87_h_2h:Bi-O,12.0,AB2_tI24_87_h_2h:Bi-O +mp-1044722,BiO2,-5.9834995517,-1.4055440342,0.0715833483,0.0501481972,GGA,R3m,AB2_hR36_160_ab_2a2b:Bi-O,12.0,AB2_hR36_160_ab_2a2b:Bi-O +mp-1406596,BiO2,-5.5714689433,-0.9935134258,0.4836139567,0.4621788055,GGA,P6_3/mmc,AB2_hP6_194_c_f:Bi-O,6.0,AB2_hP6_194_c_f:Bi-O +mp-1041983,BiO2,-5.8286456017,-1.2506900842,0.2264372983,0.2050021472,GGA,P6_3/mmc,AB2_hP6_194_a_f:Bi-O,6.0,AB2_hP6_194_a_f:Bi-O +mp-32548,BiO2,-5.9530465533,-1.3750910358,0.1020363467,0.0806011955,GGA,Fm-3m,AB2_cF12_225_a_c:Bi-O,3.0,AB2_cF12_225_a_c:Bi-O +mp-1444985,BiO2,-5.8103834258,-1.2324279083,0.2446994742,0.223264323,GGA,Fd-3m,AB2_cF48_227_c_e:Bi-O,12.0,AB2_cF48_227_c_e:Bi-O +mp-773884,Bi19O30,-6.1051938433,-1.5874396635,0.0498560859,0.0498560859,GGA,P3,A19B30_hP98_143_ab12d_2a2b2c18d:Bi-O,98.0,"Invalid WP multiplicities - A19B30_hP98_143_ab35d_2a2b2c48d:Bi-O, expected Bi107O150 to be Bi19O30" +mp-753707,Bi3O5,-6.0836711694,-1.5518073011,0.0594333297,0.0594333297,GGA,C2/c,A3B5_mC32_15_af_e2f:Bi-O,16.0,"Invalid WP multiplicities - A3B5_mC32_15_c2f_2e7f:Bi-O, expected Bi5O16 to be Bi3O5" +mp-1776732,Bi2O5,-5.67062753,-1.039995842,0.226113343,0.226113343,GGA,P2/c,A2B5_mP14_13_g_e2g:Bi-O,14.0,"Invalid WP multiplicities - A2B5_oP14_59_e_a3e:Bi-O, expected Bi2O7 to be Bi2O5" +mp-1043783,Bi2O5,-5.6922714364,-1.0616397484,0.2044694366,0.2044694366,GGA,P2_1/c,A2B5_mP28_14_2e_5e:Bi-O,28.0,"Invalid WP multiplicities - A2B5_mP28_14_2e_15e:Bi-O, expected Bi2O15 to be Bi2O5" +mp-1385941,Bi2O5,-5.5698169093,-0.9391852213,0.3269239638,0.3269239638,GGA,Pbam,A2B5_oP14_55_g_agh:Bi-O,14.0,A2B5_oP14_55_g_agh:Bi-O +mp-1410371,Bi2O5,-5.6717070936,-1.0410754055,0.2250337795,0.2250337795,GGA,Pmmn,A2B5_oP14_59_e_a2e:Bi-O,14.0,"Invalid WP multiplicities - A2B5_oP14_59_e_a3e:Bi-O, expected Bi2O7 to be Bi2O5" +mp-1042373,Bi2O5,-5.7308285105,-1.1001968225,0.1659123625,0.1659123625,GGA,Pbca,A2B5_oP56_61_2c_5c:Bi-O,56.0,"Invalid WP multiplicities - A2B5_oP56_61_2c_31c:Bi-O, expected Bi2O31 to be Bi2O5" +mp-1043373,Bi2O5,-5.7510033179,-1.1203716298,0.1457375552,0.1457375552,GGA,Cmcm,A2B5_oC28_63_f_c2f:Bi-O,14.0,"Invalid WP multiplicities - A2B5_oC28_63_f_2c5f:Bi-O, expected BiO6 to be Bi2O5" +mp-32597,Bi13O20,-6.1277253073,-1.6168121886,0.0331163455,0.0331163455,GGA,I23,A13B20_cI66_197_af_2cf:Bi-O,33.0,"Invalid WP multiplicities - A13B20_cI66_197_a2f_6c5f:Bi-O, expected Bi25O84 to be Bi13O20" +mp-27945,BiO,-5.301619555,-0.9080306344,0.477226585,0.477226585,GGA,R3m,AB_hR6_160_a_a:Bi-O,2.0,AB_hR6_160_a_a:Bi-O +mp-766354,Bi25O38,-6.1217939462,-1.6140733227,0.041750511,0.041750511,GGA,P1,A25B38_aP63_1_25a_38a:Bi-O,63.0,A25B38_aP63_1_25a_38a:Bi-O +mp-684617,Bi2O3,-6.0490309993,-1.5448221206,0.1174865427,0.0607560794,GGA,P1,A2B3_aP15_1_6a_9a:Bi-O,15.0,A2B3_aP15_1_6a_9a:Bi-O +mp-684654,Bi2O3,-6.059686172,-1.5554772933,0.10683137,0.0501009067,GGA,P1,A2B3_aP5_1_2a_3a:Bi-O,5.0,A2B3_aP5_1_2a_3a:Bi-O +mp-714859,Bi2O3,-3.763624284,0.7405845947,2.402893258,2.3461627947,GGA,P1,A2B3_aP5_1_2a_3a:Bi-O,5.0,A2B3_aP5_1_2a_3a:Bi-O +mp-684747,Bi2O3,-6.1291131702,-1.6249042914,0.0374043718,-0.0193260915,GGA,P1,A2B3_aP160_1_64a_96a:Bi-O,160.0,A2B3_aP160_1_64a_96a:Bi-O +mp-674644,Bi2O3,-5.5466325715,-1.0424236928,0.6198849705,0.5631545072,GGA,P1,A2B3_aP20_1_8a_12a:Bi-O,20.0,A2B3_aP20_1_8a_12a:Bi-O +mp-1383505,Bi2O3,-5.259728726,-0.7555198473,0.906788816,0.8500583527000001,GGA,P1,A2B3_aP5_1_2a_3a:Bi-O,5.0,A2B3_aP5_1_2a_3a:Bi-O +mp-37036,Bi2O3,-6.074846976,-1.5706380972,0.091670566,0.0349401027,GGA,Pm,A2B3_mP5_6_ab_2ab:Bi-O,5.0,A2B3_mP5_6_ab_2ab:Bi-O +mp-673244,Bi2O3,-6.05541409,-1.5512052113,0.111103452,0.0543729887,GGA,Cm,A2B3_mC10_8_2a_3a:Bi-O,5.0,A2B3_mC10_8_2a_3a:Bi-O +mp-23262,Bi2O3,-6.166517542,-1.6623086632,0.0,-0.0567304633,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Bi-O,20.0,A2B3_mP20_14_2e_3e:Bi-O +mp-558953,Bi2O3,-5.5664868655,-1.0622779868,0.6000306765,0.5433002132,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Bi-O,20.0,"Invalid WP multiplicities - A2B3_mP20_14_6e_10e:Bi-O, expected Bi3O5 to be Bi2O3" +mp-1197128,Bi2O3,-6.1434840607,-1.639275182,0.0230334813,-0.033696982,GGA,P2_1/c,A2B3_mP40_14_4e_6e:Bi-O,40.0,A2B3_mP40_14_4e_6e:Bi-O +mp-556549,Bi2O3,-6.142835726,-1.6386268472,0.023681816,-0.0330486473,GGA,Pccn,A2B3_oP20_56_e_ce:Bi-O,20.0,"Invalid WP multiplicities - A2B3_oP20_56_e_2c2e:Bi-O, expected BiO3 to be Bi2O3" +mp-1190124,Bi2O3,-6.1480539295,-1.6438450508,0.0184636125,-0.0382668508,GGA,Pbcn,A2B3_oP20_60_d_cd:Bi-O,20.0,A2B3_oP20_60_d_cd:Bi-O +mp-1046792,Bi2O3,-5.987293013,-1.4830841343,0.179224529,0.1224940657,GGA,Cmcm,A2B3_oC40_63_2f_ac2f:Bi-O,20.0,A2B3_oC40_63_2f_ac2f:Bi-O +mp-23195,Bi2O3,-6.1440681495,-1.6398592708000002,0.0224493925,-0.0342810708,GGA,P-42_1c,A2B3_tP20_114_e_de:Bi-O,20.0,A2B3_tP20_114_e_de:Bi-O +mp-1017551,Bi2O3,-5.997877482,-1.4936686032,0.16864006,0.1119095967,GGA,P-4m2,A2B3_tP5_115_g_abc:Bi-O,5.0,A2B3_tP5_115_g_abc:Bi-O +mp-637599,Bi2O3,-5.8084368065,-1.3042279277,0.3580807355,0.3013502722,GGA,P-4b2,A2B3_tP20_117_i_adgh:Bi-O,20.0,"Invalid WP multiplicities - A2B3_tP20_117_i_2a2d3g4h:Bi-O, expected Bi2O9 to be Bi2O3" +mp-1080122,Bi2O3,-6.021420929,-1.5172120502,0.145096613,0.0883661497,GGA,P4_2/mcm,A2B3_tP10_132_i_be:Bi-O,10.0,A2B3_tP10_132_i_be:Bi-O +mp-759526,Bi2O3,-6.1329798645,-1.6287709857,0.0335376775,-0.0231927857,GGA,R3,A2B3_hR195_146_2a8b_3a12b:Bi-O,65.0,"Invalid WP multiplicities - A2B3_hR195_146_2a23b_3a32b:Bi-O, expected Bi71O99 to be Bi2O3" +mp-1105780,Bi2O3,-6.119896694,-1.6156878152,0.046620848,-0.0101096153,GGA,P31c,A2B3_hP20_159_bc_2c:Bi-O,20.0,A2B3_hP20_159_bc_2c:Bi-O +mp-1091371,Bi2O3,-6.075551025,-1.5713421463,0.090966517,0.0342360537,GGA,R3m,A2B3_hR30_160_ab_2b:Bi-O,10.0,A2B3_hR30_160_ab_2b:Bi-O +mp-1017552,Bi2O3,-6.09560089,-1.5913920113,0.070916652,0.0141861887,GGA,P-3m1,A2B3_hP5_164_d_ad:Bi-O,5.0,A2B3_hP5_164_d_ad:Bi-O +mp-1183524,Bi2O3,-6.137656242,-1.6334473632000002,0.0288613,-0.0278691633,GGA,R-3c,A2B3_hR30_167_c_e:Bi-O,10.0,A2B3_hR30_167_c_e:Bi-O +mp-1188316,Bi2O3,-6.106219822,-1.6020109432,0.06029772,0.0035672567,GGA,P6_3mc,A2B3_hP20_186_bc_2c:Bi-O,20.0,A2B3_hP20_186_bc_2c:Bi-O +mp-636934,Bi2O3,-5.8911705537,-1.3869616749,0.2753469883,0.2186165251,GGA,I23,A2B3_cI60_197_f_df:Bi-O,30.0,"Invalid WP multiplicities - A2B3_cI60_197_f_4d4f:Bi-O, expected BiO6 to be Bi2O3" +mp-1196483,Bi2O3,-6.1461190521,-1.6419101734,0.0203984899,-0.0363319734,GGA,Pa-3,A2B3_cP80_205_cd_2d:Bi-O,80.0,A2B3_cP80_205_cd_2d:Bi-O +mp-1204405,Bi2O3,-6.1144165735,-1.6102076948,0.0521009685,-0.0046294948,GGA,Ia-3,A2B3_cI80_206_ad_e:Bi-O,40.0,A2B3_cI80_206_ad_e:Bi-O +mp-22891,Bi2O3,-5.804722386,-1.3005135073,0.361795156,0.3050646927,GGA,Pn-3m,A2B3_cP10_224_b_d:Bi-O,10.0,A2B3_cP10_224_b_d:Bi-O +mp-1188267,Bi2O3,-6.094813111,-1.5906042322,0.071704431,0.0149739677,GGA,Fd-3m,A2B3_cF80_227_e_f:Bi-O,20.0,A2B3_cF80_227_e_f:Bi-O +mp-554435,TcBi3O8,-6.9419879225,-1.8206865871,0.0,-0.1066431264,GGA,P2_13,A3B8C_cP96_198_2b_4a4b_2a:Bi-O-Tc,96.0,"Invalid WP multiplicities - A3B8C_cP96_198_13b_15a37b_4a:Bi-O-Tc, expected Tc4(Bi13O42)3 to be TcBi3O8" +mp-1044088,Bi3O7,-5.801767972,-1.1869391351,0.1424755091,0.1424755091,GGA,Pnma,A3B7_oP40_62_cd_c3d:Bi-O,40.0,"Invalid WP multiplicities - A3B7_oP40_62_c2d_c3d:Bi-O, expected Bi5O7 to be Bi3O7" +mp-30303,Bi4O7,-6.1324622068,-1.5880278887,0.0,-0.0267271968,GGA,P-1,A4B7_aP22_2_ab3i_7i:Bi-O,22.0,A4B7_aP22_2_ab3i_7i:Bi-O +mp-1227527,Bi4O7,-5.9733319645,-1.4288976465,0.1591302423,0.1324030455,GGA,P-4b2,A4B7_tP22_117_i_abcgh:Bi-O,22.0,A4B7_tP22_117_i_abcgh:Bi-O +mp-685477,Tc6BiO18,-7.9679839908,-1.7661952067,0.0675599886,0.0675599886,GGA,P1,AB18C6_aP50_1_2a_36a_12a:Bi-O-Tc,50.0,"Invalid WP multiplicities - AB18C6_mC100_5_c_2a2b31c_12c:Bi-O-Tc, expected Tc12BiO33 to be Tc6BiO18" +mp-1101632,Tc6BiO18,-7.9591020782,-1.7573132941,0.0764419012,0.0764419012,GGA,C2/c,AB18C6_mC100_15_c_2e8f_ad2f:Bi-O-Tc,50.0,"Invalid WP multiplicities - AB18C6_mC100_15_a_4e31f_2b2c8f:Bi-O-Tc, expected Tc20BiO66 to be Tc6BiO18" +mp-684589,Bi4O5,-5.8478258833000005,-1.3927814304,0.1463932578,0.1463932578,GGA,Cc,A4B5_mC36_9_4a_5a:Bi-O,18.0,A4B5_mC36_9_8a_10a:Bi-O +mp-1227568,Bi4O5,-5.8374079061,-1.3823634532,0.156811235,0.156811235,GGA,Cc,A4B5_mC36_9_4a_5a:Bi-O,18.0,"Invalid WP multiplicities - A4B5_mC36_9_7a_8a:Bi-O, expected Bi7O8 to be Bi4O5" +mp-1041273,Bi4O9,-5.7508851727,-1.1445655634,0.2189366359,0.2189366359,GGA,P4/n,A4B9_tP26_85_g_a2g:Bi-O,26.0,A4B9_tP26_85_g_a2g:Bi-O +mp-1213427,Er6Al43V4,-4.5495967503,-0.3080552818,0.0,-0.0310056848,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-V +mp-569744,UAl2,-6.4599010058,-0.1990471158,0.0,-0.0866872136,GGA,P6_3/mmc,A2B_hP24_194_fgh_ef:Al-U,24.0,"Invalid WP multiplicities - A2B_hP24_194_4f5g5h_3e4f:Al-U, expected U7Al19 to be UAl2" +mp-472,UAl2,-6.420499735,-0.159645845,0.0394012708,-0.0472859428,GGA,Fd-3m,A2B_cF24_227_c_b:Al-U,6.0,A2B_cF24_227_c_b:Al-U +mp-1208288,U6Ta4Al43,-5.3931855544000005,-0.1811227003,0.0,-0.0172228692,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-U,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-U +mp-1208233,U4Al,-8.655286551,1.126956623,1.1866707578,1.1866707578,GGA,Fd-3m,AB4_cF40_227_a_e:Al-U,10.0,AB4_cF40_227_a_e:Al-U +mp-1187755,UAl3,-5.7320930087,-0.1000586337,0.0492267031,0.0492267031,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-U,8.0,A3B_hP8_194_h_c:Al-U +mp-1723,UAl3,-5.758439265,-0.12640489,0.0228804469,0.0228804469,GGA,Pm-3m,A3B_cP4_221_c_a:Al-U,4.0,A3B_cP4_221_c_a:Al-U +mp-1187810,U3Ta,-11.07328603,0.359715885,0.359715885,0.359715885,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ta-U,8.0,AB3_hP8_194_c_h:Ta-U +mp-574122,UAl4,-5.357785211,-0.103042545,0.0163857245,0.0163857245,GGA,Imma,A4B_oI20_74_aeh_e:Al-U,10.0,"Invalid WP multiplicities - A4B_oI20_74_2ae2h_e:Al-U, expected UAl7 to be UAl4" +mp-20661,Ti2PbC,-7.7512013688,-0.5681272198,0.0,-0.0857414931,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Pb-Ti,8.0,ABC2_hP8_194_a_c_f:C-Pb-Ti +mp-1022468,Mg6ZrB,-2.8080364356,0.295560152,0.4967904387,0.4967904387,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Zr, expected Mg12ZrB to be Mg6ZrB" +mp-1022493,Mg6ZrB,-2.7910636788,0.3125329089,0.5137631956,0.5137631956,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Zr,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Zr +mp-1099082,Mg14ZrB,-2.1877703988,0.1641679201,0.2755168355,0.2755168355,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Zr, expected Mg18ZrB to be Mg14ZrB" +mp-1027866,Mg14ZrB,-2.1639915219,0.1879467969,0.2992957123,0.2992957123,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Zr, expected Mg26ZrB to be Mg14ZrB" +mp-7801,CaGeN2,-6.6381267288,-0.8127223325,0.0,-0.1297608714,GGA,I-42d,ABC2_tI16_122_a_b_d:Ca-Ge-N,8.0,ABC2_tI16_122_a_b_d:Ca-Ge-N +mp-1029446,CaGeN2,-6.4303411788,-0.6049367825,0.20778555,0.0780246786,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ca-Ge-N,8.0,ABC2_tP8_129_c_c_ac:Ca-Ge-N +mp-29808,Ca4GeN4,-6.0824152214,-0.9722588797,0.0,-0.0393719519,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:Ca-Ge-N,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_5e_e_5e:Ca-Ge-N, expected Ca5GeN5 to be Ca4GeN4" +mp-1247566,Ca5(GeN3)2,-6.2426238069,-0.9123911408,0.0107795706,0.0107795706,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ca-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ca-Ge-N +mp-1247307,CaGe7N10,-6.8528863211,-0.3122338703,0.0610897064,0.0610897064,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Ca-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Ca-Ge-N +mp-1246570,Ca(GeN)2,-5.983211998,-0.39828291,0.251894956,0.251894956,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Ge-N,5.0,AB2C2_hP5_164_a_d_d:Ca-Ge-N +mp-11822,Ca3GeN,-4.602489726,-0.807225242,0.0,-0.01711724,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-Ge-N,5.0,A3BC_cP5_221_c_a_b:Ca-Ge-N +mp-29809,Ca2GeN2,-6.01139962,-0.949956127,0.0,-0.0616889935,GGA,P4_2/mbc,A2BC2_tP40_135_2h_h_2h:Ca-Ge-N,40.0,"Invalid WP multiplicities - A2BC2_tP40_135_5h_h_6h:Ca-Ge-N, expected Ca5GeN6 to be Ca2GeN2" +mp-570555,Ca7GeN6,-5.8577184848,-0.9519187302,0.0064600045,0.0064600045,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ca-Ge-N,56.0,"Invalid WP multiplicities - A7BC6_oP56_60_4c20d_c_17d:Ca-Ge-N, expected Ca44GeN34 to be Ca7GeN6" +mp-1247032,TiCoN2,-8.7957489088,-0.8765489933,0.1088944337,0.1088944337,GGA,Pnma,AB2C_oP16_62_c_2c_c:Co-N-Ti,16.0,AB2C_oP16_62_c_2c_c:Co-N-Ti +mp-1246050,TiCoN2,-8.622594795,-0.7033948796,0.2820485475,0.2820485475,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Co-N-Ti,8.0,AB2C_hP8_194_a_f_c:Co-N-Ti +mp-1245662,Ti(CoN)4,-7.9748034267,-0.233165327,0.2388649706,0.2388649706,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Co-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Co-N-Ti +mp-675585,Ti7Co3N10,-9.1432732345,-1.1453558969,0.204711805,0.204711805,GGA,Imm2,A3B10C7_oI40_44_ac_d2e_b3c:Co-N-Ti,20.0,"Invalid WP multiplicities - A3B10C7_oI40_44_ac_2d7e_b6c:Co-N-Ti, expected Ti13Co3N32 to be Ti7Co3N10" +mp-1001786,LiScS2,-6.1498234725,-2.0212505461,0.0,-0.0731867378,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Sc,4.0,AB2C_hR12_166_a_c_b:Li-S-Sc +mp-1106349,SmPd3S4,-5.75740135,-1.1568974709,0.0,-0.0343032727,GGA,Pm-3n,A3B4C_cP16_223_c_e_a:Pd-S-Sm,16.0,A3B4C_cP16_223_c_e_a:Pd-S-Sm +mp-22542,Tm3PbC,-5.836256006,-0.5624922395,0.0,-0.1342182475,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Tm,5.0,ABC3_cP5_221_b_a_c:C-Pb-Tm +mp-1226352,Cr2Ir2C,-9.41592096,-0.1735952015,0.0,-0.0010517715,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Cr-Ir,5.0,AB2C2_hR15_166_a_c_c:C-Cr-Ir +mp-1105990,Ho5Ge3C,-5.8430217983,-0.7308225308,0.0,-0.0010649234,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Ho,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Ho +mp-636273,Nd3GaN,-4.253073642,0.880733007,1.7339401149,1.7339401149,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ga-N-Nd,5.0,ABC3_cP5_221_b_a_c:Ga-N-Nd +mp-1244866,GaN,-5.680696054,0.0015994198,0.6584162885,0.0015994197,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244884,GaN,-5.6468205154,0.0354749584,0.6922918271,0.0354749584,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244886,GaN,-5.6340778088,0.048217665,0.7050345337,0.048217665,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244896,GaN,-5.5948792755,0.0874161983,0.744233067,0.0874161982,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244903,GaN,-5.6238605136,0.0584349602,0.7152518289,0.0584349601,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244916,GaN,-5.6899812542,-0.0076857804,0.6491310883,-0.0076857804,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244927,GaN,-5.636933244,0.0453622298,0.7021790985,0.0453622298,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244934,GaN,-5.6528643444,0.0294311294,0.6862479981,0.0294311293,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244975,GaN,-5.7213749691,-0.0390794953,0.6177373734,-0.0390794954,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244984,GaN,-5.5974385407,0.0848569331,0.7416738018,0.0848569331,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244995,GaN,-5.7077766244,-0.0254811506,0.6313357181,-0.0254811507,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1244998,GaN,-5.5709173255,0.1113781483,0.768195017,0.1113781483,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245002,GaN,-5.6409828183,0.0413126555,0.6981295242000001,0.0413126555,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245013,GaN,-5.6215743661,0.0607211077,0.7175379764,0.0607211077,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245030,GaN,-5.6324045425,0.0498909313,0.7067078,0.0498909313,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245033,GaN,-5.6366968197,0.0455986541,0.7024155228000001,0.0455986541,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245046,GaN,-5.634648253,0.0476472208,0.7044640895000001,0.0476472208,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245069,GaN,-5.658652866,0.0236426078,0.6804594765,0.0236426078,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245075,GaN,-5.6050178533,0.0772776205,0.7340944892,0.0772776205,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245095,GaN,-5.6568468209,0.0254486529,0.6822655216,0.0254486529,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245106,GaN,-5.614414966,0.0678805078,0.7246973765,0.0678805078,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245130,GaN,-5.6526588648,0.029636609,0.6864534777,0.029636609,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245132,GaN,-5.6608612406,0.0214342332,0.6782511019,0.0214342331,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245138,GaN,-5.6334821014,0.0488133724,0.7056302411,0.0488133723,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245148,GaN,-5.6616761999000005,0.0206192739,0.6774361426000001,0.0206192739,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245150,GaN,-5.6066273978,0.075668076,0.7324849447,0.075668076,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245165,GaN,-5.6200734453,0.0622220285,0.7190388972,0.0622220285,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245172,GaN,-5.646815175,0.0354802988,0.6922971675,0.0354802988,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245181,GaN,-5.6358281287,0.0464673451,0.7032842138000001,0.046467345,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245188,GaN,-5.6534001997,0.0288952741,0.6857121428,0.0288952741,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245233,GaN,-5.6902585833,-0.0079631095,0.6488537592,-0.0079631096,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245244,GaN,-5.63629148,0.0460039938,0.7028208625,0.0460039938,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245258,GaN,-5.6269044286,0.0553910452,0.7122079139,0.0553910452,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245286,GaN,-5.6544742303,0.0278212435,0.6846381122,0.0278212435,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245288,GaN,-5.6565945847,0.0257008891,0.6825177578,0.0257008891,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245295,GaN,-5.6313151281,0.0509803457,0.7077972144,0.0509803457,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245302,GaN,-5.6113348032,0.0709606706,0.7277775393,0.0709606705,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-1245326,GaN,-5.6348727915,0.0474226823,0.704239551,0.0474226823,GGA,P1,AB_aP100_1_50a_50a:Ga-N,100.0,AB_aP100_1_50a_50a:Ga-N +mp-2646978,GaN,-5.9135079588,-0.231212485,0.4256043837,-0.231212485,GGA,I4mm,AB_tI4_107_a_a:Ga-N,8.0,AB_tI4_107_a_a:Ga-N +mp-804,GaN,-6.3391123425,-0.6568168688,0.0,-0.6568168688,GGA,P6_3mc,AB_hP4_186_b_b:Ga-N,4.0,AB_hP4_186_b_b:Ga-N +mp-1181864,GaN,-6.0506115525,-0.3683160788,0.28850079,-0.3683160788,GGA,P6_3mc,AB_hP8_186_ab_ab:Ga-N,8.0,"Invalid WP multiplicities - AB_hP8_186_2ab_2a2b:Ga-N, expected Ga3N4 to be GaN" +mp-1007824,GaN,-5.985556335,-0.3032608613,0.3535560075,-0.3032608613,GGA,P6_3/mmc,AB_hP4_194_c_b:Ga-N,4.0,AB_hP4_194_c_b:Ga-N +mp-830,GaN,-6.33382013,-0.6515246563,0.0052922125,-0.6515246563,GGA,F-43m,AB_cF8_216_a_c:Ga-N,2.0,AB_cF8_216_a_c:Ga-N +mp-2853,GaN,-5.86006574,-0.1777702663,0.4790466025,-0.1777702663,GGA,Fm-3m,AB_cF8_225_a_b:Ga-N,2.0,AB_cF8_225_a_b:Ga-N +mp-1220310,NdN2,-7.9481248989,-0.8010791381,0.2222465061,0.2222465061,GGA,Cm,A2B_mC18_8_6a_3a:N-Nd,9.0,A2B_mC18_8_6a_3a:N-Nd +mp-1009237,NdN,-7.305786145,-0.7534649662,0.7815234999999999,-0.1526556127,GGA,Pm-3m,AB_cP2_221_a_b:N-Nd,2.0,AB_cP2_221_a_b:N-Nd +mp-2599,NdN,-8.087309645,-1.5349884662000002,0.0,-0.9341791127,GGA,Fm-3m,AB_cF8_225_a_b:N-Nd,2.0,AB_cF8_225_a_b:N-Nd +mp-1207438,Zr4V,-7.81550546,0.8394362580000001,0.8394362580000001,0.8394362580000001,GGA,Fd-3m,AB4_cF40_227_a_e:V-Zr,10.0,AB4_cF40_227_a_e:V-Zr +mp-1103264,ZrV2,-8.8726042625,0.0325666608,0.0325666608,0.0325666608,GGA,P6_3/mmc,A2B_hP12_194_ah_f:V-Zr,12.0,A2B_hP12_194_ah_f:V-Zr +mp-258,ZrV2,-8.8563111033,0.04885982,0.04885982,0.04885982,GGA,Fd-3m,A2B_cF24_227_c_b:V-Zr,6.0,A2B_cF24_227_c_b:V-Zr +mp-1188058,Zr3V,-8.502844835,0.178907155,0.178907155,0.178907155,GGA,P6_3/mmc,AB3_hP8_194_c_h:V-Zr,8.0,AB3_hP8_194_c_h:V-Zr +mp-1224085,HfZrV4,-9.0990572483,0.0410284083,0.0410284083,0.0410284083,GGA,F-43m,AB4C_cF24_216_a_e_c:Hf-V-Zr,6.0,AB4C_cF24_216_a_e_c:Hf-V-Zr +mp-1095762,MgRu2W,-4.98246964,3.2943342,3.448990495,3.3849203684,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ru-W,4.0,AB2C_oI8_71_a_e_b:Mg-Ru-W +mp-1185943,MgRu2W,-8.431460135,-0.154656295,0.0,-0.0640701266,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-W,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-W +mp-1217158,U2(PdAu)5,-5.7027665142,-0.2984632583,0.025641536,0.025641536,GGA,Cm,A5B5C2_mC24_8_a2b_5a_2a:Au-Pd-U,12.0,"Invalid WP multiplicities - A5B5C2_mC24_8_a4b_5a_2a:Au-Pd-U, expected U2Pd5Au9 to be U2(PdAu)5" +mp-1205815,Eu2H6Ir,-6.0878633144,-0.5646639756,0.0,-0.1073709478,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Eu-H-Ir,9.0,A2B6C_cF36_225_c_e_a:Eu-H-Ir +mp-1184680,HIr,-5.6913513675,0.424228745,0.424228745,0.424228745,GGA,P6_3mc,AB_hP4_186_b_b:H-Ir,4.0,AB_hP4_186_b_b:H-Ir +mp-1096497,V2FeTc,-5.6543585375,3.5952595362,3.8563226659,3.8563226659,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Tc-V,4.0,ABC2_oI8_71_a_b_e:Fe-Tc-V +mp-1097436,YZrAu2,-3.440355675,1.9501282608,2.6509949775,2.6509949775,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Y-Zr,4.0,A2BC_oI8_71_e_a_b:Au-Y-Zr +mp-13841,IrF4,-5.010927556,-1.714057546,0.0,-0.0027172297,GGA,Fdd2,A4B_oF40_43_2b_a:F-Ir,10.0,"Invalid WP multiplicities - A4B_oF40_43_3b_a:F-Ir, expected IrF6 to be IrF4" +mp-1206411,Ba3IrF6,-5.5834005090000005,-2.9769772285,0.7706084750000001,0.7706084750000001,GGA,P-1,A3B6C_aP10_2_bcd_3i_a:Ba-F-Ir,10.0,A3B6C_aP10_2_bcd_3i_a:Ba-F-Ir +mp-560553,IrF6,-4.728289385,-1.8272453871,0.0,-0.6029185686,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Ir,28.0,"Invalid WP multiplicities - A6B_oP28_62_6c12d_c:F-Ir, expected IrF30 to be IrF6" +mp-1183303,BaF3,-5.0471116425,-3.1337586819,0.0,-0.0107705956,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-F,4.0,AB3_tI8_139_a_bd:Ba-F +mp-13545,BaIrF6,-5.551404635,-2.7731192694,0.0,-0.14033926,GGA,R-3,AB6C_hR24_148_a_f_b:Ba-F-Ir,8.0,AB6C_hR24_148_a_f_b:Ba-F-Ir +mp-2437,IrF3,-5.25314115,-1.6099233794,0.0,-0.00299443,GGA,R-3c,A3B_hR24_167_e_b:F-Ir,8.0,A3B_hR24_167_e_b:F-Ir +mp-1184748,Ir3F,-6.87249099,0.2342043869,0.7708455133000001,0.7708455133000001,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Ir,4.0,AB3_cF16_225_a_bc:F-Ir +mp-555585,BaF2,-6.0377791317,-4.1238015067,0.0401826083,-1.3382382339,GGA,Pnma,AB2_oP12_62_c_2c:Ba-F,12.0,"Invalid WP multiplicities - AB2_oP12_62_c_7c:Ba-F, expected BaF7 to be BaF2" +mp-8644,BaF2,-5.9416763883,-4.0276987633,0.1362853517,-1.2421354906,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ba-F,6.0,AB2_hP6_194_c_ad:Ba-F +mp-1029,BaF2,-6.07796174,-4.163984115,0.0,-1.3784208422,GGA,Fm-3m,AB2_cF12_225_a_c:Ba-F,3.0,AB2_cF12_225_a_c:Ba-F +mp-974336,HoO,-7.8895938375,-3.1250450469,0.2369808356,0.2369808356,GGA,P6_3/mmc,AB_hP4_194_c_d:Ho-O,4.0,AB_hP4_194_c_d:Ho-O +mp-1206243,HoO2,-8.009773475,-3.1845113775,0.177514505,0.177514505,GGA,P2_1/m,AB2_mP6_11_e_2e:Ho-O,6.0,AB2_mP6_11_e_2e:Ho-O +mp-558336,Ho2O3,-8.7898508253,-3.9888740506,0.0455570084,-0.8281492053,GGA,C2/m,A2B3_mC30_12_3i_a4i:Ho-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_6i_a6i:Ho-O, expected Ho12O13 to be Ho2O3" +mp-1223904,Ho2O3,-8.572429008,-3.7714522333,0.2629788258,-0.610727388,GGA,P-4m2,A2B3_tP5_115_g_abc:Ho-O,5.0,A2B3_tP5_115_g_abc:Ho-O +mp-13065,Ho2O3,-8.767598598,-3.9666218232,0.0678092358,-0.805896978,GGA,P-3m1,A2B3_hP5_164_d_ad:Ho-O,5.0,A2B3_hP5_164_d_ad:Ho-O +mp-812,Ho2O3,-8.8354078338,-4.034431059,0.0,-0.8737062138,GGA,Ia-3,A2B3_cI80_206_ad_e:Ho-O,40.0,A2B3_cI80_206_ad_e:Ho-O +mp-685148,Ho2O3,-7.527363395,-2.7263866203,1.3080444388,0.434338225,GGA,Pn-3m,A2B3_cP10_224_b_d:Ho-O,10.0,A2B3_cP10_224_b_d:Ho-O +mp-768145,DyHoO3,-8.7381865373,-3.9323341686,0.0901036765,0.0901036765,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Dy-Ho-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_2a3b11c:Dy-Ho-O, expected Dy5Ho3O41 to be DyHoO3" +mp-1025565,HoO3,-6.9231288188,-2.0675100678,0.4540093441,0.4540093441,GGA,P6_3/m,AB3_hP8_176_c_h:Ho-O,8.0,AB3_hP8_176_c_h:Ho-O +mp-1184841,HoO3,-6.8572106787,-2.0015919278,0.5199274841,0.5199274841,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-O,8.0,AB3_hP8_194_c_h:Ho-O +mp-1975,TmN,-8.40819755,-2.0020323758,0.0,-1.3622963022,GGA,Fm-3m,AB_cF8_225_a_b:N-Tm,2.0,AB_cF8_225_a_b:N-Tm +mp-19847,Tm3InN,-5.993953828,-1.090816843,0.0,-0.087944355,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Tm,5.0,ABC3_cP5_221_a_b_c:In-N-Tm +mp-1202811,Tm2N3,-7.559914412699999,-0.7676832884,0.8339426123,0.8339426123,GGA,Ia-3,A3B2_cI80_206_e_ad:N-Tm,40.0,A3B2_cI80_206_e_ad:N-Tm +mp-1184326,Eu3Hf,-9.8057236325,0.376324975,0.376324975,0.376324975,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Hf,4.0,"Invalid WP multiplicities - A3B_tI8_139_a2d_b:Eu-Hf, expected Eu5Hf to be Eu3Hf" +mp-1212722,EuHfF7,-7.7636105856,-4.0308835186,0.0,-0.043629868,GGA,P2_1,AB7C_mP18_4_a_7a_a:Eu-F-Hf,18.0,AB7C_mP18_4_a_7a_a:Eu-F-Hf +mp-12927,Ba(BeN)2,-6.322834988,-1.108676884,0.0,-0.1063164351,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Be-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Be-N +mp-971819,YLuIn2,-4.5581971975,-0.4354999242,0.0044217277,0.0044217277,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Lu-Y,4.0,A2BC_cF16_225_c_a_b:In-Lu-Y +mp-1206614,Dy2Co2I,-5.665898565,-0.6851834410000001,0.0,-0.0923921723,GGA,P6_3/mmc,A2B2C_hP10_194_f_e_c:Co-Dy-I,10.0,A2B2C_hP10_194_f_e_c:Co-Dy-I +mp-865005,DyI3,-3.9493901225,-1.69266865,0.0,-1.2905384638,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-I,8.0,AB3_hP8_194_c_h:Dy-I +mp-1206888,DyI6,-2.3805752043,-0.4595773557,0.5076618729,0.5076618729,GGA,Cmmm,AB6_oC14_65_a_kp:Dy-I,7.0,AB6_oC14_65_a_kp:Dy-I +mp-1184669,HfNpO3,-10.68232455,-3.133317581,0.3596936736,0.3596936736,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Hf-Np-O,5.0,ABC3_cP5_221_b_a_c:Hf-Np-O +mp-1184793,HfNp3,-11.664245695,0.5358863234,0.5358863234,0.5358863234,GGA,I4/mmm,AB3_tI8_139_a_bd:Hf-Np,4.0,AB3_tI8_139_a_bd:Hf-Np +mp-1246879,ScMoN3,-9.3758617735,-0.9383409755,0.1217035192,0.1217035192,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Sc,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Sc +mp-556995,Nd2O3,-8.6293506673,-3.7540784676,0.0282322502,-0.6281871803,GGA,C2/m,A2B3_mC30_12_3i_a4i:Nd-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_5i_a6i:Nd-O, expected Nd10O13 to be Nd2O3" +mp-1220312,Nd2O3,-7.475643456,-2.6003712562,1.1819394615,0.525520031,GGA,Pmmm,A2B3_oP5_47_bg_acf:Nd-O,5.0,A2B3_oP5_47_bg_acf:Nd-O +mp-2763,Nd2O3,-8.62783696,-3.7525647603,0.0297459575,-0.6266734730000001,GGA,P-3m1,A2B3_hP5_164_d_ad:Nd-O,5.0,A2B3_hP5_164_d_ad:Nd-O +mp-7954,Nd2O3,-8.44253371,-3.5672615102,0.2150492075,-0.441370223,GGA,P6/mmm,A2B3_hP5_191_c_g:Nd-O,5.0,A2B3_hP5_191_c_g:Nd-O +mp-1045,Nd2O3,-8.6575829175,-3.7823107177,0.0,-0.6564194305000001,GGA,Ia-3,A2B3_cI80_206_ad_e:Nd-O,40.0,A2B3_cI80_206_ad_e:Nd-O +mp-33029,Nd2O3,-7.728758614,-2.8534864142,0.9288243035,0.272404873,GGA,Pm-3m,A2B3_cP5_221_ab_c:Nd-O,5.0,A2B3_cP5_221_ab_c:Nd-O +mp-31049,NdO2,-8.0476810717,-3.16050612,0.0,-0.0085805219,GGA,C2/m,AB2_mC12_12_i_2i:Nd-O,6.0,AB2_mC12_12_i_2i:Nd-O +mp-755820,NdO2,-7.8693450808,-2.9821701292,0.1783359908,0.169755469,GGA,P2_1/c,AB2_mP12_14_e_2e:Nd-O,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_3e:Nd-O, expected NdO3 to be NdO2" +mp-1101458,NdO2,-7.7406426833,-2.8534677317,0.3070383883,0.2984578665,GGA,P2_1/c,AB2_mP12_14_e_2e:Nd-O,12.0,AB2_oP6_58_a_g:Nd-O +mp-754317,NdO2,-7.74034574,-2.8531707883,0.3073353317,0.2987548098,GGA,Pnnm,AB2_oP6_58_a_g:Nd-O,6.0,AB2_oP6_58_a_g:Nd-O +mp-1077718,NdO2,-7.9578053333,-3.0706303817,0.0898757383,0.0812952165,GGA,I4/mmm,AB2_tI6_139_a_d:Nd-O,3.0,AB2_tI6_139_a_d:Nd-O +mp-754125,NdO2,-7.9447414333,-3.0575664817,0.1029396383,0.0943591165,GGA,Fm-3m,AB2_cF12_225_a_c:Nd-O,3.0,AB2_cF12_225_a_c:Nd-O +mp-1186312,NdNpO3,-8.986175598,-2.4749769485,1.0371019793,1.0371019793,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Nd-Np-O,5.0,ABC3_cP5_221_b_a_c:Nd-Np-O +mp-985608,Nd2O5,-7.5766203029,-2.6809433855,0.0280618602,0.0280618602,GGA,C2/c,A2B5_mC28_15_f_e2f:Nd-O,14.0,A2B5_mC28_15_f_e2f:Nd-O +mp-673673,NdO3,-6.9367855625,-2.0347321709,0.3356474191,0.3356474191,GGA,P1,AB3_aP8_1_2a_6a:Nd-O,8.0,AB3_aP8_1_2a_6a:Nd-O +mp-32564,NdO3,-6.8468937675,-1.9448403759,0.4255392141,0.4255392141,GGA,C2/m,AB3_mC16_12_i_ac2i:Nd-O,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_ac3i:Nd-O, expected NdO4 to be NdO3" +mp-32749,NdO3,-7.0313608588,-2.1293074672,0.2410721228,0.2410721228,GGA,C2/m,AB3_mC16_12_i_ac2i:Nd-O,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_ac3i:Nd-O, expected NdO4 to be NdO3" +mp-1173028,NdO3,-7.097513835,-2.1954604434,0.1749191466,0.1749191466,GGA,C2/m,AB3_mC16_12_i_3i:Nd-O,8.0,"Invalid WP multiplicities - AB3_mC16_12_i_5i:Nd-O, expected NdO5 to be NdO3" +mp-1180065,NdO3,-6.848180525,-1.9461271334,0.4242524566,0.4242524566,GGA,P6_3/m,AB3_hP8_176_c_h:Nd-O,8.0,AB3_hP8_176_c_h:Nd-O +mp-1186353,Nd3Np,-6.413209815,0.3998456797,0.3998456797,0.3998456797,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Np,8.0,A3B_hP8_194_h_c:Nd-Np +mp-754197,NdO,-7.9039241875,-3.0465061156,0.1054194825,0.1054194825,GGA,P6_3/mmc,AB_hP4_194_c_a:Nd-O,4.0,AB_hP4_194_c_a:Nd-O +mp-754545,NdO,-7.93138711,-3.0739690381,0.07795656,0.07795656,GGA,Fm-3m,AB_cF8_225_a_b:Nd-O,2.0,AB_cF8_225_a_b:Nd-O +mp-1095635,Lu(P2Rh3)2,-7.2788546509,-0.8824903085,0.0148700591,0.0148700591,GGA,P-6m2,AB4C6_hP11_187_a_ck_jk:Lu-P-Rh,11.0,AB4C6_hP11_187_a_ck_jk:Lu-P-Rh +mp-1205493,Y3(AgSn)4,-4.7546459118,-0.5030163870000001,0.001247003,0.001247003,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Sn-Y,,A4B4C3_oI22_71_n_eg_bf:Ag-Sn-Y +mp-5729,YAgSn,-5.04864773,-0.6124480728,0.0,-0.0766591936,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Sn-Y,6.0,ABC_hP6_186_b_b_a:Ag-Sn-Y +mp-1216005,YAgSn2,-4.7814934725,-0.4519507658,0.0108626197,0.0108626197,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ag-Sn-Y,4.0,AB2C_tP4_123_a_e_c:Ag-Sn-Y +mp-972170,TbY3,-5.982676495,0.025768365,0.025768365,0.025768365,GGA,I4/mmm,AB3_tI8_139_a_bd:Tb-Y,4.0,AB3_tI8_139_a_bd:Tb-Y +mp-972156,TbY3,-5.9810910225,0.0273538375,0.0273538375,0.0273538375,GGA,Pm-3m,AB3_cP4_221_a_c:Tb-Y,4.0,AB3_cP4_221_a_c:Tb-Y +mp-1187322,Tb3Y,-5.0704262975,0.0219660558,0.0219660558,0.0219660558,GGA,I4/mmm,A3B_tI8_139_ad_b:Tb-Y,4.0,A3B_tI8_139_ad_b:Tb-Y +mp-1187314,Tb3Y,-5.070981355,0.0214109983,0.0214109983,0.0214109983,GGA,Pm-3m,A3B_cP4_221_c_a:Tb-Y,4.0,A3B_cP4_221_c_a:Tb-Y +mp-978910,TbYRh2,-7.3013561125,-0.8439928742,0.00830488,0.00830488,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Tb-Y,4.0,A2BC_cF16_225_c_a_b:Rh-Tb-Y +mp-17364,Th(PRu)2,-8.418494175,-1.0606405063,0.0,-0.193489128,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:P-Ru-Th,20.0,A2B2C_oP20_62_2c_2c_c:P-Ru-Th +mp-1208278,Th(P3Ru)4,-7.1348804953,-0.6954041135,0.0,-0.0268807486,GGA,Im-3,A12B4C_cI34_204_g_c_a:P-Ru-Th,17.0,A12B4C_cI34_204_g_c_a:P-Ru-Th +mp-384,MgP4,-4.956805909,-0.3061078937,0.0,-0.0838782582,GGA,P2_1/c,AB4_mP10_14_a_2e:Mg-P,10.0,AB4_mP10_14_a_2e:Mg-P +mp-1185775,Mg2P,-3.2256755433,-0.3543880078,0.2035027596,0.2035027596,GGA,Cmcm,A2B_oC12_63_ac_c:Mg-P,6.0,"Invalid WP multiplicities - A2B_oC12_63_2a2c_c:Mg-P, expected Mg4P to be Mg2P" +mp-1185772,Mg2P,-3.22711832,-0.3558307844,0.2020599829,0.2020599829,GGA,Immm,A2B_oI12_71_eg_f:Mg-P,6.0,"Invalid WP multiplicities - A2B_oI12_71_2eg_f:Mg-P, expected Mg3P to be Mg2P" +mp-1210592,Mg2P,-2.83008978,0.0411977556,0.5990885229,0.5990885229,GGA,Pn-3m,A2B_cP6_224_b_a:Mg-P,6.0,A2B_cP6_224_b_a:Mg-P +mp-10440,Mg(P2Rh3)2,-6.8575345818,-0.7266857367,0.0167559072,0.0167559072,GGA,P-6m2,AB4C6_hP11_187_a_ck_jk:Mg-P-Rh,11.0,"Invalid WP multiplicities - AB4C6_hP11_187_a_c2k_j2k:Mg-P-Rh, expected MgP7Rh9 to be Mg(P2Rh3)2" +mp-2514,Mg3P2,-3.792177939,-0.6666889063,0.0,-0.292390273,GGA,Ia-3,A3B2_cI80_206_e_ad:Mg-P,40.0,A3B2_cI80_206_e_ad:Mg-P +mp-8085,Mg3P2,-3.605361569,-0.4798725363,0.18681637,-0.105573903,GGA,Pn-3m,A3B2_cP10_224_d_b:Mg-P,10.0,A3B2_cP10_224_d_b:Mg-P +mp-978292,MgP,-3.908791685,-0.4020004067,0.1745432465,0.1745432465,GGA,R32,AB_hR18_155_d_bc:Mg-P,6.0,"Invalid WP multiplicities - AB_hR18_155_d_b2c:Mg-P, expected Mg3P5 to be MgP" +mp-1185593,Mg149P,-1.6504800862,-0.0247798865,0.0,-0.0136684047,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-P,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k5l5m16n8o_d:Mg-P, expected Mg309P to be Mg149P" +mp-20241,Mg4P6Rh7,-6.07976954,-0.7602936382000001,0.0,-0.0500274411,GGA,Im-3m,A4B6C7_cI34_229_c_e_ad:Mg-P-Rh,17.0,A4B6C7_cI34_229_c_e_ad:Mg-P-Rh +mp-31104,KBi,-2.8500911194,-0.3746470809,0.0,-0.003317769,GGA,P2_1/c,AB_mP32_14_4e_4e:Bi-K,32.0,AB_mP32_14_4e_4e:Bi-K +mp-1211781,K4Bi,-1.6248788950000002,0.0315380886,0.3335376171,0.3335376171,GGA,Fd-3m,AB4_cF40_227_a_e:Bi-K,10.0,AB4_cF40_227_a_e:Bi-K +mp-31286,K3Bi,-2.1704209033,-0.3774994106,0.0,-0.158639522,GGA,P6_3cm,AB3_hP24_185_c_ab2c:Bi-K,24.0,AB3_hP24_185_c_ab2c:Bi-K +mp-569940,K3Bi,-2.1704040763,-0.3774825835,1.68271e-05,-0.1586226949,GGA,P6_3/mmc,AB3_hP8_194_c_bf:Bi-K,8.0,"Invalid WP multiplicities - AB3_hP8_194_c_2b3f:Bi-K, expected K8Bi to be K3Bi" +mp-568516,K3Bi,-2.148174105,-0.3552526122,0.0222467983,-0.1363927236,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-K,4.0,AB3_cF16_225_a_bc:Bi-K +mp-1184943,KBi3,-3.302473005,-0.1445064207,0.1301673013,0.1301673013,GGA,Pm-3m,A3B_cP4_221_c_a:Bi-K,4.0,A3B_cP4_221_c_a:Bi-K +mp-1185097,K3Zn,-0.9855018625,0.1622332502,0.1803262611,0.1803262611,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Zn,4.0,A3B_tI8_139_ad_b:K-Zn +mp-1185031,K3Zn,-0.9980950975,0.1496400152,0.1677330261,0.1677330261,GGA,Pm-3m,A3B_cP4_221_c_a:K-Zn,4.0,A3B_cP4_221_c_a:K-Zn +mp-1185029,K3Zn,-0.9945736225,0.1531614902,0.1712545011,0.1712545011,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Zn,4.0,A3B_cF16_225_ac_b:K-Zn +mp-1223773,K5Bi4,-2.6968009011,-0.3730285394,0.0022523925,0.0022523925,GGA,Cm,A4B5_mC18_8_4a_5a:Bi-K,9.0,A4B5_mC18_8_4a_5a:Bi-K +mp-1205955,K5Bi4,-2.6966556189,-0.3728832572,0.0023976747,0.0023976747,GGA,C2/m,A4B5_mC18_12_2i_a2i:Bi-K,9.0,A4B5_mC18_12_2i_a2i:Bi-K +mp-1206573,K3Bi2,-2.552610842,-0.3501758218,0.025612191,0.025612191,GGA,C2/c,A2B3_mC20_15_f_ef:Bi-K,10.0,A2B3_mC20_15_f_ef:Bi-K +mp-784,KZn13,-1.3162787457,-0.0672026116,0.0,-0.0672026116,GGA,Fm-3c,AB13_cF112_226_a_bi:K-Zn,28.0,AB13_cF112_226_a_bi:K-Zn +mp-1103566,K4ZnBi2,-2.2723394864,-0.360579821,0.0,-0.0241627489,GGA,C222_1,A2B4C_oC28_20_c_abc_a:Bi-K-Zn,14.0,A2B4C_oC28_20_c_abc_a:Bi-K-Zn +mp-1190467,K6ZnBi5,-2.6270019233,-0.3666200115,0.0,-0.0022826951,GGA,Pmmn,A5B6C_oP24_59_a2e_2b2e_a:Bi-K-Zn,24.0,A5B6C_oP24_59_a2e_2b2e_a:Bi-K-Zn +mp-23279,KBi2,-3.2966906983,-0.3662316293,0.0,-0.1164669087,GGA,Fd-3m,A2B_cF24_227_c_b:Bi-K,6.0,A2B_cF24_227_c_b:Bi-K +mp-1226591,CeUZn17,-2.2525087258,-0.2188171187,0.0,-0.065559052,GGA,R3m,ABC17_hR57_160_a_a_2a3bc:Ce-U-Zn,19.0,ABC17_hR57_160_a_a_2a3bc:Ce-U-Zn +mp-1228856,AlPPd4,-5.6419908822,-0.6622566194,0.0,-0.0120140931,GGA,Pm,ABC4_mP18_6_3a_a2b_6a6b:Al-P-Pd,18.0,ABC4_mP18_6_3a_a2b_6a6b:Al-P-Pd +mp-1182873,AlP2,-4.8264171808,0.0309764336,0.4374912281,0.4374912281,GGA,Ibca,AB2_oI48_73_f_acde:Al-P,24.0,AB2_oI48_73_f_acde:Al-P +mp-1183180,Al3P,-4.0323164525,0.1301910467,0.4350771425,0.4350771425,GGA,P6_3/mmc,A3B_hP8_194_h_c:Al-P,8.0,A3B_hP8_194_h_c:Al-P +mp-997569,AlP,-4.52095575,0.0584834183,0.66825561,0.0584834183,GGA,P4/mbm,AB_tP8_127_g_g:Al-P,8.0,AB_tP8_127_g_g:Al-P +mp-8880,AlP,-5.1845921525,-0.6051529842000001,0.0046192075,-0.6051529842000001,GGA,P6_3mc,AB_hP4_186_b_b:Al-P,4.0,AB_hP4_186_b_b:Al-P +mp-1550,AlP,-5.18921136,-0.6097721917000001,0.0,-0.6097721917000001,GGA,F-43m,AB_cF8_216_a_c:Al-P,2.0,AB_cF8_216_a_c:Al-P +mp-982013,Sr3Tm,-2.1569745575,0.2291043883,0.2291043883,0.2291043883,GGA,P6_3/mmc,A3B_hP8_194_h_c:Sr-Tm,8.0,A3B_hP8_194_h_c:Sr-Tm +mp-1204382,Tm10S19,-6.3370382595,-2.0835588904,0.0,-0.0335367819,GGA,P4_2/n,A19B10_tP58_86_ae4g_e2g:S-Tm,58.0,A19B10_tP58_86_ae4g_e2g:S-Tm +mp-1766,TmS,-6.483569875,-2.1774272299,0.0,-0.163598895,GGA,Fm-3m,AB_cF8_225_a_b:S-Tm,2.0,AB_cF8_225_a_b:S-Tm +mp-637631,Tm15S22,-6.5776180522,-2.3035794462,0.063603042,0.063603042,GGA,C2/m,A22B15_mC74_12_11i_a7i:S-Tm,37.0,"Invalid WP multiplicities - A22B15_mC74_12_19i_a11i:S-Tm, expected Tm23S38 to be Tm15S22" +mp-974,Tm2S3,-6.6169630785,-2.344758989,0.0332666567,-0.0608121463,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Tm,20.0,"Invalid WP multiplicities - A3B2_oP20_62_7c_5c:S-Tm, expected Tm5S7 to be Tm2S3" +mp-2309,Tm2S3,-6.6244353225,-2.352231233,0.0257944127,-0.0682843903,GGA,P2_1/m,A3B2_mP20_11_6e_4e:S-Tm,20.0,A3B2_mP20_11_6e_4e:S-Tm +mp-1193944,Tm2S3,-6.633000324,-2.3607962345,0.0172294112,-0.0768493918,GGA,P2_1/m,A3B2_mP30_11_9e_6e:S-Tm,30.0,A3B2_mP30_11_9e_6e:S-Tm +mp-32933,Tm2S3,-6.5870554665,-2.314851377,0.0631742687,-0.0309045343,GGA,I-42d,A3B2_tI80_122_3e_cde:S-Tm,40.0,"Invalid WP multiplicities - A3B2_tI80_122_12e_4c4d5e:S-Tm, expected Tm3S4 to be Tm2S3" +mp-14787,Tm2S3,-6.630063587,-2.3578594975,0.0201661482,-0.0739126548,GGA,R-3c,A3B2_hR30_167_e_c:S-Tm,10.0,A3B2_hR30_167_e_c:S-Tm +mp-1193566,Tm2S3,-6.597513215,-2.3253091255,0.0527165202,-0.0413622828,GGA,P6_3cm,A3B2_hP30_185_3c_2a2b:S-Tm,30.0,A3B2_hP30_185_3c_2a2b:S-Tm +mp-18529,Tm2S3,-6.6502297352,-2.3780256458,0.0,-0.0940788031,GGA,Ia-3,A3B2_cI80_206_e_ad:S-Tm,40.0,A3B2_cI80_206_e_ad:S-Tm +mp-1071948,TmS2,-6.2153974767,-1.965819091,0.0482878364,0.0482878364,GGA,P4/nmm,A2B_tP6_129_ac_c:S-Tm,6.0,A2B_tP6_129_ac_c:S-Tm +mp-10633,TmS2,-4.5571536017,-0.307575216,1.7065317114,1.7065317114,GGA,Fd-3m,A2B_cF24_227_c_b:S-Tm,6.0,A2B_cF24_227_c_b:S-Tm +mp-1194307,Sr(TmS2)2,-6.3018059325,-2.4179539657,0.0,-0.0350596359,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:S-Sr-Tm,28.0,A4BC2_oP28_62_4c_c_2c:S-Sr-Tm +mp-18680,Tm8S11,-6.6111502784,-2.3318012299,0.0039931705,0.0039931705,GGA,Cmcm,A11B8_oC76_63_c5f_ac3f:S-Tm,38.0,A11B8_oC76_63_c5f_ac3f:S-Tm +mp-1216618,Tm5S7,-6.6209663475,-2.3431058321,0.0014867444,0.0014867444,GGA,Cm,A7B5_mC24_8_7a_5a:S-Tm,12.0,A7B5_mC24_8_7a_5a:S-Tm +mp-1102847,Tm5S7,-6.6211140575,-2.3432535421000003,0.0013390344,0.0013390344,GGA,C2/m,A7B5_mC24_12_a3i_d2i:S-Tm,12.0,A7B5_mC24_12_a3i_c2i:S-Tm +mp-21101,U(SiPt)2,-7.633242624,-0.7763800820000001,0.0,-0.1326595894,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Pt-Si-U,10.0,A2B2C_tP10_129_ac_bc_c:Pt-Si-U +mp-3406,U(SiPt)2,-7.571148704,-0.7142861620000001,0.06209392,-0.0705656694,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-U,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-U +mp-1216805,USiPt,-8.2422123867,-0.6462586,0.0072304201,0.0072304201,GGA,C2/m,ABC_mC12_12_i_i_i:Pt-Si-U,6.0,ABC_mC12_12_i_i_i:Pt-Si-U +mp-569093,U3Si11Pt23,-6.6413986543,-0.338998797,0.3930178003,0.3930178003,GGA,Fm-3m,A23B11C3_cF296_225_d2fk_e2f_e:Pt-Si-U,74.0,"Invalid WP multiplicities - A23B11C3_cF296_225_5d13f15k_4e11f_e:Pt-Si-U, expected U3Si56Pt247 to be U3Si11Pt23" +mp-1216606,U2Si3Pt,-7.9823206667,-0.4940027617,0.0,-0.0022958831,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Pt-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Pt-Si-U +mp-1217537,U6Si19Pt30,-7.1007109993,-0.6831927769,0.0621555203,0.0621555203,GGA,P-3,A30B19C6_hP55_147_5g_a3g_g:Pt-Si-U,55.0,A30B19C6_hP55_147_5g_a3g_g:Pt-Si-U +mp-1217211,U3SiPt5,-8.4701096606,-0.7306413650000001,0.0,-0.0447038514,GGA,Ima2,A5BC3_oI36_46_b2c_b_bc:Pt-Si-U,18.0,A5BC3_oI36_46_b2c_b_bc:Pt-Si-U +mp-978496,SiB4,-6.1791375787,0.249439444,0.2816218045,0.2816218045,GGA,R-3m,A4B_hR45_166_2h_ac:B-Si,15.0,A4B_hR45_166_2h_ac:B-Si +mp-631526,SiBPb,-3.8595373633,1.4129149269,1.4307940161,1.4307940161,GGA,F-43m,ABC_cF12_216_a_b_c:B-Pb-Si,3.0,ABC_cF12_216_a_b_c:B-Pb-Si +mp-972733,Si3B,-4.8289364063,0.909900059,0.9233093758,0.9233093758,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Si,8.0,AB3_hP8_194_c_h:B-Si +mp-1238821,Si3B,-4.7786402825,0.9601961827,0.9736054996,0.9736054996,GGA,Pm-3m,AB3_cP4_221_a_c:B-Si,4.0,AB3_cP4_221_a_c:B-Si +mp-7700,SiB6,-6.0443017,0.4559366793,0.4789240796,0.4789240796,GGA,Pm-3m,A6B_cP7_221_e_b:B-Si,7.0,A6B_cP7_221_e_b:B-Si +mp-569128,SiB3,-6.4061012863,-0.0402279506,0.0,-0.0402279506,GGA,Imma,A3B_oI64_74_2h2j_hi:B-Si,32.0,"Invalid WP multiplicities - A3B_oI64_74_6h11j_2h2i:B-Si, expected SiB7 to be SiB3" +mp-978495,SiB,-5.6673623375,0.3849925629,0.4118111967,0.4118111967,GGA,P6_3mc,AB_hP4_186_b_b:B-Si,4.0,AB_hP4_186_b_b:B-Si +mp-21319,Ce3TlC,-4.065410932,1.8127042888,2.0040080433,2.0040080433,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ce-Tl,5.0,AB3C_cP5_221_a_c_b:C-Ce-Tl +mp-20181,Ce2C3,-8.166077356,-0.2556423985,0.0,-0.1121974615,GGA,I-43d,A3B2_cI40_220_d_c:C-Ce,20.0,A3B2_cI40_220_d_c:C-Ce +mp-22672,CeC,-7.636479795,-0.0556024712,0.1574328608,0.1574328608,GGA,Fm-3m,AB_cF8_225_a_b:C-Ce,2.0,AB_cF8_225_a_b:C-Ce +mp-2839,CeC2,-8.28952331,-0.1593832633,0.0536520687,0.0536520687,GGA,I4/mmm,A2B_tI6_139_e_a:C-Ce,3.0,A2B_tI6_139_e_a:C-Ce +mp-29056,La3InC,-5.677746706,-0.3200725985,0.0,-0.0403532667,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-La,5.0,ABC3_cP5_221_b_a_c:C-In-La +mp-1209974,Pr12(MnC3)5,-7.7429962244,-0.1926547273,0.0,-0.0738850301,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Pr,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Pr +mp-1220018,Pr2Mn17C2,-8.7637271067,-0.0126127038,0.0306921003,0.0306921003,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Mn-Pr,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i4j_i:C-Mn-Pr, expected Pr2Mn29C2 to be Pr2Mn17C2" +mp-683,Pr2C3,-7.590082519,-0.1405209215,0.0,-0.0485723615,GGA,I-43d,A3B2_cI40_220_d_c:C-Pr,20.0,A3B2_cI40_220_d_c:C-Pr +mp-1995,PrC2,-7.84824398,-0.1021650667,0.0149357013,0.0149357013,GGA,I4/mmm,A2B_tI6_139_e_a:C-Pr,3.0,A2B_tI6_139_e_a:C-Pr +mp-28168,Th6CBr14,-5.5665328745,-1.9734751787,0.0,-0.0778301129,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:Br-C-Th,42.0,"Invalid WP multiplicities - A14BC6_oC84_64_def3g_a_fg:Br-C-Th, expected Th6CBr18 to be Th6CBr14" +mp-1022489,Mg6ZrC,-2.9302654,0.4919904028,0.7010061031,0.7010061031,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Zr,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Zr +mp-1022553,Mg6ZrC,-3.2027633438,0.2194924591,0.4285081594,0.4285081594,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Zr,8.0,AB6C_oC16_38_a_abde_b:C-Mg-Zr +mp-1027990,Mg14ZrC,-2.2928192419,0.2184486845,0.3282940818,0.3282940818,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Zr, expected Mg18ZrC to be Mg14ZrC" +mp-1027875,Mg14ZrC,-2.2267033556,0.2845645708,0.394409968,0.394409968,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Zr, expected Mg26ZrC to be Mg14ZrC" +mp-979910,VCuRh2,-7.24227942,-0.2643473,0.0221644194,0.0221644194,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Rh-V,4.0,AB2C_cF16_225_a_c_b:Cu-Rh-V +mp-1187753,V3Cu,-7.6899972625,0.1477339575,0.1477339575,0.1477339575,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-V,4.0,AB3_tI8_139_a_bd:Cu-V +mp-979283,V3Cu,-7.67919986,0.15853136,0.15853136,0.15853136,GGA,Fm-3m,AB3_cF16_225_a_bc:Cu-V,4.0,AB3_cF16_225_a_bc:Cu-V +mp-1212387,GdHfF7,-8.4470543467,-4.2899805642,0.0,-0.1692078685,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Gd-Hf,18.0,A7BC_mP18_4_7a_a_a:F-Gd-Hf +mp-1025099,TbGaI,-4.2383360333,-1.1930598758,0.0,-0.0731404438,GGA,P-3m1,ABC_hP6_164_d_d_c:Ga-I-Tb,6.0,ABC_hP6_164_d_d_c:Ga-I-Tb +mp-30954,GaI3,-2.6841621894000003,-0.8221134213,0.0,-0.2509918485,GGA,P2_1/c,AB3_mP16_14_e_3e:Ga-I,16.0,AB3_mP16_14_e_3e:Ga-I +mp-636675,Ga2I3,-2.7842688185,-0.6890105995,0.0,-0.0036647122,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Ga-I,20.0,"Invalid WP multiplicities - A2B3_mP20_14_5e_8e:Ga-I, expected Ga5I8 to be Ga2I3" +mp-570738,GaI2,-2.7531050044,-0.7614954303,0.0,-0.0133280211,GGA,R3c,AB2_hR108_161_2b_4b:Ga-I,36.0,"Invalid WP multiplicities - AB2_hR108_161_8b_20b:Ga-I, expected Ga2I5 to be GaI2" +mp-1246225,Ni4Te3N2,-5.4717671,-0.0024944056,0.2783042915,0.2783042915,GGA,Pnnm,A2B4C3_oP18_58_g_2g_ag:N-Ni-Te,18.0,A2B4C3_oP18_58_g_2g_ag:N-Ni-Te +mp-1246215,Ni4Te3N2,-5.49328926,-0.0240165656,0.2567821315,0.2567821315,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Ni-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Ni-Te +mp-865600,Y2IrPd,-7.6252598225,-0.8874452683,0.0,-0.0220820188,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Pd-Y,4.0,ABC2_cF16_225_a_b_c:Ir-Pd-Y +mp-531533,YbZr3F15,-6.8260982992,-3.8863670001,0.0100375708,0.0100375708,GGA,P-1,A15BC3_aP76_2_30i_2i_6i:F-Yb-Zr,,"Invalid WP multiplicities - A15BC3_aP76_2_59i_3i_11i:F-Yb-Zr, expected Yb3Zr11F59 to be YbZr3F15" +mp-1215771,YbZr3F15,-6.8250398855,-3.8853085864,0.0110959845,0.0110959845,GGA,C2/c,A15BC3_mC76_15_e7f_e_ef:F-Yb-Zr,,"Invalid WP multiplicities - A15BC3_mC76_15_2e19f_e_ef:F-Yb-Zr, expected YbZr3F40 to be YbZr3F15" +mp-1207497,YbZrF7,-6.3860438783,-3.7785259136,0.0,-0.0315601441,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Yb-Zr,,A7BC_mP18_4_7a_a_a:F-Yb-Zr +mp-1186035,NdTc3,-8.587890955,0.3746251119,0.3746251119,0.3746251119,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Tc,8.0,AB3_hP8_194_c_h:Nd-Tc +mp-1191821,Nd2Tc2O7,-8.6448073109,-2.7462260624,0.0007585702,0.0007585702,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Tc,22.0,A2B7C2_cF88_227_c_af_d:Nd-O-Tc +mp-862672,LiY2Rh,-6.02391303,-0.4723697892,0.0097562841,0.0097562841,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Y,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Y +mp-631302,ScVFe,-7.28395627,0.6781758583,0.8455510033,0.8455510033,GGA,F-43m,ABC_cF12_216_a_b_c:Fe-Sc-V,3.0,ABC_cF12_216_a_b_c:Fe-Sc-V +mp-28185,TaClF8,-5.4451462845,-2.5453316815,0.0,-0.0164374684,GGA,Pcca,AB8C_oP40_54_d_4f_c:Cl-F-Ta,40.0,AB8C_oP40_54_d_4f_c:Cl-F-Ta +mp-1830474,TaF5,-7.065997085,-3.4968016738,0.076925385,-1.6492710542,GGA,P-1,A5B_aP12_2_5i_bc:F-Ta,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_c:F-Ta, expected TaF7 to be TaF5" +mp-1393434,TaF5,-5.3835056525,-1.8143102412,1.7594168175,0.0332203783,GGA,P-1,A5B_aP12_2_5i_bd:F-Ta,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_bd:F-Ta, expected TaF9 to be TaF5" +mp-561197,TaF5,-7.14292247,-3.5737270588,0.0,-1.7261964392,GGA,C2/m,A5B_mC48_12_2i4j_gi:F-Ta,24.0,"Invalid WP multiplicities - A5B_mC48_12_4i14j_2gi:F-Ta, expected Ta3F32 to be TaF5" +mp-1339908,TaF5,-7.0674840171,-3.4982886058,0.0754384529,-1.6507579863,GGA,P2_1/c,A5B_mP24_14_5e_e:F-Ta,24.0,A5B_mP24_14_5e_e:F-Ta +mp-1047356,TaF5,-6.8817874733,-3.3125920621,0.2611349967,-1.4650614425,GGA,Cmcm,A5B_oC24_63_c2f_a:F-Ta,12.0,"Invalid WP multiplicities - A5B_oC24_63_c3f_a:F-Ta, expected TaF7 to be TaF5" +mp-1400588,TaF5,-6.7857673883,-3.2165719771,0.3571550817,-1.3690413575,GGA,Immm,A5B_oI12_71_bfg_a:F-Ta,6.0,A5B_oI12_71_bfg_a:F-Ta +mp-8338,TaF3,-7.1693495625,-2.7712959294,0.4450584235,0.4450584235,GGA,Pm-3m,A3B_cP4_221_c_b:F-Ta,4.0,A3B_cP4_221_c_b:F-Ta +mp-27854,TaCl4F,-5.7474129558,-2.2201790829,0.0,-0.0206116432,GGA,I-4,A4BC_tI48_82_4g_g_g:Cl-F-Ta,24.0,A4BC_tI48_82_4g_g_g:Cl-F-Ta +mp-31077,Tl2TeI6,-2.5338725861,-0.677340332,0.0,-0.0204707486,GGA,P2_1/c,A6BC2_mP18_14_3e_a_e:I-Te-Tl,18.0,A6BC2_mP18_14_3e_a_e:I-Te-Tl +mp-1245009,Li2O,-4.821682587,-1.9001711054,0.1618509064,-0.7996335164,GGA,P1,A2B_aP102_1_68a_34a:Li-O,102.0,A2B_aP102_1_68a_34a:Li-O +mp-1245092,Li2O,-4.8103114676,-1.8887999861,0.1732220257,-0.7882623971,GGA,P1,A2B_aP102_1_68a_34a:Li-O,102.0,A2B_aP102_1_68a_34a:Li-O +mp-1245224,Li2O,-4.8338476705,-1.912336189,0.1496858228,-0.8117985999,GGA,P1,A2B_aP102_1_68a_34a:Li-O,102.0,A2B_aP102_1_68a_34a:Li-O +mp-1245303,Li2O,-4.8249593556,-1.9034478741,0.1585741377,-0.8029102850000001,GGA,P1,A2B_aP102_1_68a_34a:Li-O,102.0,A2B_aP102_1_68a_34a:Li-O +mp-755894,Li2O,-4.8987360558,-1.9772245743,0.0847974375,-0.8766869853,GGA,Pnma,A2B_oP12_62_2c_c:Li-O,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Li-O, expected Li5O to be Li2O" +mp-1960,Li2O,-4.9835334933,-2.0620220118,0.0,-0.9614844228,GGA,Fm-3m,A2B_cF12_225_c_a:Li-O,3.0,A2B_cF12_225_c_a:Li-O +mp-1094135,LiO2,-4.74406556,-0.8099654636,0.3168667624,0.3168667624,GGA,C2/m,AB2_mC12_12_g_hi:Li-O,6.0,AB2_mC12_12_g_hi:Li-O +mp-1018789,LiO2,-4.9778513383,-1.0437512419,0.083080984,0.083080984,GGA,Pnnm,AB2_oP6_58_a_g:Li-O,6.0,AB2_oP6_58_a_g:Li-O +mp-1094129,LiO2,-4.4694443533,-0.5353442569,0.591487969,0.591487969,GGA,R-3m,AB2_hR9_166_a_c:Li-O,3.0,AB2_hR9_166_a_c:Li-O +mp-1097725,LiO2,-4.37492529,-0.4408251936,0.6860070324,0.6860070324,GGA,Fm-3m,AB2_cF12_225_a_c:Li-O,3.0,AB2_cF12_225_a_c:Li-O +mp-1001790,LiO3,-4.81306,-0.6258127499,0.2390323973,0.2390323973,GGA,Imm2,AB3_oI8_44_a_ac:Li-O,4.0,AB3_oI8_44_a_ac:Li-O +mp-1236127,LiO8,-5.0216513,-0.412492127,0.0157078889,-0.045646264,GGA,P1,AB8_aP9_1_a_8a:Li-O,9.0,AB8_aP9_1_a_8a:Li-O +mp-1235185,LiO8,-5.0319976578,-0.4228384848,0.0053615311,-0.0559926218,GGA,C2,AB8_mC18_5_a_4c:Li-O,9.0,AB8_mC18_5_a_4c:Li-O +mp-1235059,LiO8,-5.0373591889,-0.4282000159,0.0,-0.0613541529,GGA,Cm,AB8_mC18_8_a_4a2b:Li-O,9.0,"Invalid WP multiplicities - AB8_mC18_8_a_4a3b:Li-O, expected LiO10 to be LiO8" +mp-1235698,LiO8,-4.9696350144,-0.3604758415,0.0677241744,0.0063700215,GGA,Cm,AB8_mC18_8_a_4a2b:Li-O,9.0,"Invalid WP multiplicities - AB8_mC18_8_a_4a3b:Li-O, expected LiO10 to be LiO8" +mp-1235252,LiO8,-5.0281195644,-0.4189603915,0.0092396244,-0.0521145285,GGA,C2/m,AB8_mC18_12_a_2ij:Li-O,9.0,AB8_mC18_12_a_2ij:Li-O +mp-1236522,LiO8,-4.9672965144,-0.3581373415,0.0700626744,0.0087085215,GGA,C2/m,AB8_mC18_12_a_2ij:Li-O,9.0,AB8_mC18_12_a_2ij:Li-O +mp-1097030,Li2O2,-4.810408585,-1.382602796,0.2682035875,0.189272617,GGA,P4/mmm,AB_tP2_123_a_d:Li-O,2.0,AB_tP2_123_a_d:Li-O +mp-558312,Li2O2,-4.9358879438,-1.5080821548,0.1427242287,0.0637932582,GGA,P6_3/mmc,AB_hP8_194_f_f:Li-O,8.0,AB_hP8_194_f_f:Li-O +mp-841,Li2O2,-5.0786121725,-1.6508063835,0.0,-0.0789309705,GGA,P6_3/mmc,AB_hP8_194_ac_f:Li-O,8.0,AB_hP8_194_ac_f:Li-O +mp-1180619,Li2O2,-4.7895803,-1.361774511,0.2890318725,0.210100902,GGA,Pm-3m,AB_cP2_221_a_b:Li-O,2.0,AB_cP2_221_a_b:Li-O +mp-1185388,LiPmO3,-6.599003102,-2.2990968374,0.287546244,0.287546244,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Pm,5.0,AB3C_cP5_221_b_c_a:Li-O-Pm +mp-982245,PbAuO3,-4.969002936,-0.6036838952,0.3294854983,0.3294854983,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-O-Pb,5.0,AB3C_cP5_221_b_c_a:Au-O-Pb +mp-997109,PbAuO2,-5.1854862263,-0.9655096031,0.0098618175,0.0098618175,GGA,P-1,AB2C_aP8_2_ab_2i_i:Au-O-Pb,8.0,"Invalid WP multiplicities - AB2C_aP8_2_ab_3i_i:Au-O-Pb, expected PbAuO3 to be PbAuO2" +mp-997014,PbAuO2,-5.17345474,-0.9534781169,0.0218933038,0.0218933038,GGA,P2/m,AB2C_mP8_10_bd_mn_ch:Au-O-Pb,8.0,"Invalid WP multiplicities - AB2C_mP8_10_bg_2m2n_ce:Au-O-Pb, expected PbAuO4 to be PbAuO2" +mp-997043,PbAuO2,-5.1778945812,-0.9579179581,0.0174534625,0.0174534625,GGA,C2/m,AB2C_mC16_12_i_2i_ad:Au-O-Pb,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_4i_ac:Au-O-Pb, expected PbAuO4 to be PbAuO2" +mp-997025,PbAuO2,-5.1705906475,-0.9506140244,0.0247573963,0.0247573963,GGA,R-3m,AB2C_hR12_166_a_c_b:Au-O-Pb,4.0,AB2C_hR12_166_a_c_b:Au-O-Pb +mp-997015,PbAuO2,-5.1705325475,-0.9505559244,0.0248154963,0.0248154963,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Au-O-Pb,8.0,AB2C_hP8_194_c_f_a:Au-O-Pb +mp-1078155,SnPPt5,-6.0598400371,-0.3771913283,0.0161106393,0.0161106393,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pt-Sn,7.0,AB5C_tP7_123_b_ai_c:P-Pt-Sn +mp-1197535,Y2Nb3Ge4,-7.6039236081,-0.7451493006000001,0.0,-0.0856432647,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Y,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Nb-Y +mp-7349,Ba(BRh)2,-6.468525968,-0.4672511237,0.0,-0.16488124,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:B-Ba-Rh,5.0,A2BC2_tI10_139_e_a_d:B-Ba-Rh +mp-504790,LiYSn,-4.8074937792,-0.6791718342,0.0,-0.0756659432,GGA,P6_3mc,ABC_hP24_186_bc_bc_ac:Li-Sn-Y,24.0,ABC_hP24_186_bc_bc_ac:Li-Sn-Y +mp-1206063,Hf3ZnF6,-6.603590973,-2.3435725225,0.7983711129000001,0.7983711129000001,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-Hf-Zn,10.0,A6B3C_aP10_2_3i_bcd_a:F-Hf-Zn +mp-1226262,CrRe3B4,-9.4118866637,-0.1988621502,0.1870554121,0.1870554121,GGA,Imm2,A4BC3_oI16_44_2a2b_a_a2b:B-Cr-Re,8.0,A4BC3_oI16_44_2a2b_a_a2b:B-Cr-Re +mp-1226226,CrRe5B2,-10.8615767887,-0.2072684217,0.0267958541,0.0267958541,GGA,Amm2,A2BC5_oC16_38_ab_a_b2c:B-Cr-Re,8.0,"Invalid WP multiplicities - A2BC5_oC16_38_ab_a_b4c:B-Cr-Re, expected CrRe9B2 to be CrRe5B2" +mp-1226393,CrRe13B6,-10.8138459785,-0.2384334035,0.011036494,0.011036494,GGA,P3m1,A6BC13_hP20_156_2d_a_b4d:B-Cr-Re,20.0,A6BC13_hP20_156_2d_a_b4d:B-Cr-Re +mp-974738,KSr3,-1.4454594325,0.0992603942,0.0992603942,0.0992603942,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Sr,4.0,AB3_tI8_139_a_bd:K-Sr +mp-1185006,KSr3,-1.4399936675,0.1047261592,0.1047261592,0.1047261592,GGA,Pm-3m,AB3_cP4_221_a_c:K-Sr,4.0,AB3_cP4_221_a_c:K-Sr +mp-973278,KSr3,-1.43613292,0.1085869068,0.1085869068,0.1085869068,GGA,Fm-3m,AB3_cF16_225_a_bc:K-Sr,4.0,AB3_cF16_225_a_bc:K-Sr +mp-973627,K3Sr,-1.1204944075,0.1346781661,0.1346781661,0.1346781661,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Sr,4.0,A3B_tI8_139_ad_b:K-Sr +mp-976223,K3Sr,-1.1297591337,0.1254134398,0.1254134398,0.1254134398,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Sr,8.0,A3B_hP8_194_h_c:K-Sr +mp-973622,K3Sr,-1.137764445,0.1174081286,0.1174081286,0.1174081286,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Sr,4.0,A3B_cF16_225_ac_b:K-Sr +mp-867362,K2SrIn7,-2.545053525,-0.2278457793,0.0117872584,0.0117872584,GGA,Cmcm,A7B2C_oC40_63_c3f_f_c:In-K-Sr,20.0,A7B2C_oC40_63_c3f_f_c:In-K-Sr +mp-345,HfB,-8.731788045,-0.4134976446,0.349917075,0.349917075,GGA,Fm-3m,AB_cF8_225_a_b:B-Hf,2.0,AB_cF8_225_a_b:B-Hf +mp-1994,HfB2,-8.78987715,-1.0178862928,0.0,-0.69111904,GGA,P6/mmm,A2B_hP3_191_c_b:B-Hf,3.0,A2B_hP3_191_c_b:B-Hf +mp-1004377,HfB6,-7.0482106643,0.0994378579,0.5356748405,0.5356748405,GGA,Pm-3m,A6B_cP7_221_e_b:B-Hf,7.0,A6B_cP7_221_e_b:B-Hf +mp-1001600,HfB12,-7.1248659023,-0.1933358808,0.041560956,0.041560956,GGA,Fm-3m,A12B_cF52_225_h_b:B-Hf,13.0,A12B_cF52_225_h_b:B-Hf +mp-1017578,HfBRh3,-8.522960246,-0.7770593638000001,0.0,-0.0865138516,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Hf-Rh,5.0,ABC3_cP5_221_b_a_c:B-Hf-Rh +mp-1228971,AlV9Au2,-7.7570778554,-0.0863699838,0.0,-0.0072109892,GGA,Pmmm,AB2C9_oP24_47_i_ahl_3jorxy:Al-Au-V,24.0,"Invalid WP multiplicities - AB2C9_oP24_47_i_ah2l_6j2o2r2x4y:Al-Au-V, expected AlV22Au3 to be AlV9Au2" +mp-1187741,VAu3,-4.6671888688,0.0591991487,0.0712523788,0.0712523788,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-V,8.0,A3B_hP8_194_h_c:Au-V +mp-1069697,VAu4,-4.430565406,0.005321408,0.014963992,0.014963992,GGA,I4/m,A4B_tI10_87_h_a:Au-V,5.0,A4B_tI10_87_h_a:Au-V +mp-30423,VAu2,-5.1985732367,0.0119834533,0.0280544267,0.0280544267,GGA,Cmcm,A2B_oC12_63_g_c:Au-V,6.0,A2B_oC12_63_g_c:Au-V +mp-570698,V3Au,-7.566763135,0.0646369175,0.1007966075,0.0646369175,GGA,Pm-3m,AB3_cP4_221_a_c:Au-V,4.0,AB3_cP4_221_a_c:Au-V +mp-839,V3Au,-7.6675597425,-0.03615969,0.0,-0.03615969,GGA,Pm-3n,AB3_cP8_223_a_c:Au-V,8.0,AB3_cP8_223_a_c:Au-V +mp-1216391,VAu,-5.96472929,0.214164745,0.238271205,0.238271205,GGA,R-3m,AB_hR6_166_a_b:Au-V,2.0,AB_hR6_166_a_b:Au-V +mp-1206204,U2(SiAu)3,-5.6035155587,0.481536955,0.7483297238000001,0.7483297238000001,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Au-Si-U,8.0,A3B3C2_tP8_123_ag_bg_g:Au-Si-U +mp-1080533,U(SiAu)2,-5.888258548,-0.150296534,0.0781228087,0.0781228087,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Au-Si-U,10.0,A2B2C_tP10_129_ac_bc_c:Au-Si-U +mp-5510,U(SiAu)2,-5.945499354,-0.20753734,0.0208820027,0.0208820027,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-U,5.0,A2B2C_tI10_139_d_e_a:Au-Si-U +mp-1216817,USiAu,-6.8900195583,-0.2264828783,0.0673320854,0.0673320854,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Si-U,6.0,ABC_mC12_12_i_i_i:Au-Si-U +mp-9487,USiAu,-6.8561473633,-0.1926106833,0.1012042804,0.1012042804,GGA,P-6m2,ABC_hP3_187_a_c_f:Au-Si-U,3.0,ABC_hP3_187_a_c_f:Au-Si-U +mp-1216862,U2Si3Au,-7.2691916783,-0.2470823267,0.0532410923,0.0532410923,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Au-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Au-Si-U +mp-1198001,Dy2HfS5,-7.1736833581,-2.1920568526,0.0064037381,0.0064037381,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Dy-Hf-S,32.0,A2BC5_oP32_62_d_c_3cd:Dy-Hf-S +mp-21620,U2Si5Tc3,-8.5604020865,-0.481269386,0.0379963595,0.0379963595,GGA,P4/mnc,A5B3C2_tP40_128_egh_dh_h:Si-Tc-U,40.0,"Invalid WP multiplicities - A5B3C2_tP40_128_egh_2d2h_h:Si-Tc-U, expected U2Si5Tc6 to be U2Si5Tc3" +mp-20471,U4Si6Tc7,-9.4268384018,-0.5890724703,0.0,-0.2443273318,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Si-Tc-U,17.0,"Invalid WP multiplicities - A6B7C4_cI34_229_e_a2d_c:Si-Tc-U, expected U4Si6Tc13 to be U4Si6Tc7" +mp-1187817,UTc3,-10.5552866575,0.0380450538,0.0380450538,0.0380450538,GGA,P6_3/mmc,A3B_hP8_194_h_c:Tc-U,8.0,A3B_hP8_194_h_c:Tc-U +mp-1206509,U2Tc,-10.9416643967,0.0394885917,0.0394885917,0.0394885917,GGA,Cmmm,AB2_oC12_65_g_ach:Tc-U,6.0,AB2_oC12_65_g_ach:Tc-U +mp-1224671,Hf4USi4,-8.7262137853,-0.6349428686,0.062835754,0.062835754,GGA,P4_1,A4B4C_tP36_76_4a_4a_a:Hf-Si-U,36.0,A4B4C_tP36_76_4a_4a_a:Hf-Si-U +mp-1207072,Hf2U,-10.0451921133,0.3567372433,0.3567372433,0.3567372433,GGA,P6/mmm,A2B_hP3_191_c_b:Hf-U,3.0,A2B_hP3_191_c_b:Hf-U +mp-675143,Eu(GdS2)2,-10.2429195936,-2.3921987725,0.0,-0.0033051489,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Gd-S,14.0,AB2C4_tI28_122_a_d_e:Eu-Gd-S +mp-20905,OsS2,-7.1922196833,-0.6921306288,0.0,-0.6921306288,GGA,Pa-3,AB2_cP12_205_a_c:Os-S,12.0,AB2_cP12_205_a_c:Os-S +mp-1214793,AsOsS,-7.1840447917,-0.5097328910000001,0.0,-0.0542207725,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Os-S,12.0,ABC_mP12_14_e_e_e:As-Os-S +mp-664137,GeS2,-4.944514915,-0.6458723854,0.0181219431,-0.3114317977,GGA,P1,AB2_aP18_1_6a_12a:Ge-S,18.0,AB2_oF72_43_ab_3b:Ge-S +mp-1197287,GeS2,-4.9550650286,-0.656422499,0.0075718295,-0.3219819113,GGA,Pc,AB2_mP36_7_6a_12a:Ge-S,36.0,AB2_mP36_7_6a_12a:Ge-S +mp-7582,GeS2,-4.945043415,-0.6464008854000001,0.0175934431,-0.3119602977,GGA,I-42d,AB2_tI12_122_a_d:Ge-S,6.0,AB2_tI12_122_a_d:Ge-S +mp-572892,GeS2,-4.9626368581,-0.6639943285000001,0.0,-0.3295537408,GGA,P2_1/c,AB2_mP48_14_4e_8e:Ge-S,48.0,"Invalid WP multiplicities - AB2_mP48_14_13e_29e:Ge-S, expected Ge13S29 to be GeS2" +mp-542613,GeS2,-4.9592055172,-0.6605629876,0.0034313409,-0.3261223999,GGA,Fdd2,AB2_oF72_43_ab_3b:Ge-S,18.0,"Invalid WP multiplicities - AB2_oF72_43_a2b_10b:Ge-S, expected GeS4 to be GeS2" +mp-1071032,GeS2,-4.9076042067,-0.6089616771,0.0550326515,-0.2745210894,GGA,P4_2/nmc,AB2_tP6_137_a_d:Ge-S,6.0,AB2_tP6_137_a_d:Ge-S +mp-622213,GeS2,-4.9471527471000005,-0.6485102175,0.015484111,-0.3140696298,GGA,I4_1/acd,AB2_tI96_142_g_deg:Ge-S,48.0,"Invalid WP multiplicities - AB2_tI96_142_g_6d7e8g:Ge-S, expected Ge2S29 to be GeS2" +mp-1197434,Ge3Ir2S3,-5.8296275481,-0.3352148574,0.2038854459,0.2038854459,GGA,Pm-3,A3B2C3_cP32_200_j_i_k:Ge-Ir-S,32.0,A3B2C3_cP32_200_j_i_k:Ge-Ir-S +mp-2242,GeS,-4.8813997425,-0.5016608816,0.0,-0.0036651352,GGA,Pnma,AB_oP8_62_c_c:Ge-S,8.0,AB_oP8_62_c_c:Ge-S +mp-12910,GeS,-4.83727439,-0.4575355291,0.0441253525,0.0404602173,GGA,Cmcm,AB_oC8_63_c_c:Ge-S,4.0,AB_oC8_63_c_c:Ge-S +mp-1193697,Ge2S5,-4.5572467179,-0.2817745687,0.2873634272,0.2873634272,GGA,P-1,A2B5_aP28_2_4i_10i:Ge-S,28.0,A2B5_aP28_2_4i_10i:Ge-S +mp-851357,Fe2S,-7.2031291876,-0.1776317587,0.3276448774,0.3276448774,GGA,Cm,A2B_mC42_8_14a_7a:Fe-S,21.0,A2B_mC42_8_14a_7a:Fe-S +mp-684641,Fe2S,-7.2321823652,-0.2066849363,0.2985916998,0.2985916998,GGA,Cm,A2B_mC42_8_14a_7a:Fe-S,21.0,A2B_mC42_8_14a_7a:Fe-S +mp-850411,Fe7S8,-6.7717549757,-0.6129718153,0.1629819213,0.1629819213,GGA,P2_1,A7B8_mP30_4_7a_8a:Fe-S,30.0,"Invalid WP multiplicities - A7B8_mP30_14_2a11e_14e:Fe-S, expected Fe6S7 to be Fe7S8" +mp-685128,Fe7S8,-6.7680650773,-0.609281917,0.1666718197,0.1666718197,GGA,P2_1/c,A7B8_mP30_14_a3e_4e:Fe-S,30.0,"Invalid WP multiplicities - A7B8_mP30_14_2a11e_13e:Fe-S, expected Fe12S13 to be Fe7S8" +mp-542794,Fe7S8,-6.808340119,-0.6495569587000001,0.126396778,0.126396778,GGA,C2/c,A7B8_mC60_15_e3f_4f:Fe-S,30.0,A7B8_mC60_15_e3f_4f:Fe-S +mp-21688,Fe7S8,-6.76905534,-0.6102721797,0.165681557,0.165681557,GGA,P3_1,A7B8_hP45_144_7a_8a:Fe-S,45.0,A7B8_hP45_144_7a_8a:Fe-S +mp-556435,Fe7S8,-6.8083465927,-0.6495634323,0.1263903043,0.1263903043,GGA,P3_121,A7B8_hP45_152_2ab2c_4c:Fe-S,45.0,"Invalid WP multiplicities - A7B8_hP45_152_3a5b9c_20c:Fe-S, expected Fe13S20 to be Fe7S8" +mp-1189032,Fe3S,-7.6021360906,-0.2155077164,0.1634497606,0.1634497606,GGA,Pnma,A3B_oP16_62_cd_c:Fe-S,16.0,A3B_oP16_62_cd_c:Fe-S +mp-1184373,Fe3S,-7.3706051838,0.0160231905,0.3949806675,0.3949806675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Fe-S,8.0,A3B_hP8_194_h_c:Fe-S +mp-850032,Fe3S4,-6.6138198364,-0.6201251082,0.17644438,0.17644438,GGA,C2/m,A3B4_mC28_12_3i_4i:Fe-S,14.0,"Invalid WP multiplicities - A3B4_mC28_12_5i_7i:Fe-S, expected Fe5S7 to be Fe3S4" +mp-10188,Fe3S4,-6.41872259,-0.4250278618,0.3715416264,0.3715416264,GGA,R3m,A3B4_hR21_160_3a_4a:Fe-S,7.0,A3B4_hR21_160_3a_4a:Fe-S +mp-850016,Fe3S4,-6.6467176379,-0.6530229096,0.1435465786,0.1435465786,GGA,R-3m,A3B4_hR42_166_acd_ch:Fe-S,14.0,"Invalid WP multiplicities - A3B4_hR42_166_acd_c2h:Fe-S, expected Fe3S7 to be Fe3S4" +mp-7096,Fe3S4,-6.5761076871,-0.5824129589,0.2141565293,0.2141565293,GGA,R-3m,A3B4_hR21_166_ac_2c:Fe-S,7.0,A3B4_hR21_166_ac_2c:Fe-S +mp-21515,Fe3S4,-6.6540305579,-0.6603358296,0.1362336586,0.1362336586,GGA,Fd-3m,A3B4_cF56_227_ad_e:Fe-S,14.0,A3B4_cF56_227_ad_e:Fe-S +mp-684707,Fe7S12,-6.3236979722,-0.5906691895,0.2384514854,0.2384514854,GGA,Pc,A7B12_mP76_7_14a_24a:Fe-S,76.0,A7B12_mP76_7_28a_48a:Fe-S +mp-1225645,Er4FeS7,-6.6371360275,-1.995798901,0.1025906543,0.1025906543,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Er-Fe-S,12.0,A4BC7_mC24_8_4a_a_7a:Er-Fe-S +mp-1225858,Fe11S12,-6.8082420567,-0.5992145910000001,0.1704647865,0.1704647865,GGA,Cc,A11B12_mC92_9_11a_12a:Fe-S,46.0,A11B12_mC92_9_11a_12a:Fe-S +mp-850249,Fe4S5,-6.7887506817,-0.7262691067,0.061710485,0.061710485,GGA,P2,A4B5_mP18_3_4e_ad4e:Fe-S,18.0,"Invalid WP multiplicities - A4B5_aP18_2_6i_8i:Fe-S, expected Fe3S4 to be Fe4S5" +mp-850083,Fe4S5,-6.7897112144000005,-0.7272296395000001,0.0607499522,0.0607499522,GGA,P4,A4B5_tP18_75_2d_ab2d:Fe-S,18.0,"Invalid WP multiplicities - A4B5_aP18_2_6i_8i:Fe-S, expected Fe3S4 to be Fe4S5" +mp-870701,Fe4S5,-6.7865951467,-0.7241135717,0.06386602,0.06386602,GGA,P4/n,A4B5_tP18_85_g_cg:Fe-S,18.0,"Invalid WP multiplicities - A4B5_tP18_85_g_2c2g:Fe-S, expected Fe2S5 to be Fe4S5" +mp-850009,FeS2,-5.9909776833,-0.4100040354,0.4381048317,0.1667542453,GGA,P2/c,AB2_mP12_13_g_2g:Fe-S,12.0,"Invalid WP multiplicities - AB2_mP12_13_g_6g:Fe-S, expected FeS6 to be FeS2" +mp-615366,FeS2,-5.99050387,-0.4095302221,0.438578645,0.1672280586,GGA,Pcca,AB2_oP12_54_c_f:Fe-S,12.0,AB2_oP12_54_c_f:Fe-S +mp-1522,FeS2,-6.429082515,-0.8481088671,0.0,-0.2713505864,GGA,Pnnm,AB2_oP6_58_a_g:Fe-S,6.0,AB2_oP6_58_a_g:Fe-S +mp-1383615,FeS2,-6.064388655,-0.4834150071,0.36469386,0.0933432736,GGA,I-42d,AB2_tI12_122_a_d:Fe-S,6.0,AB2_tI12_122_a_d:Fe-S +mp-1393120,FeS2,-6.1784426367,-0.5974689887,0.2506398783,-0.020710708,GGA,R-3m,AB2_hR36_166_ad_ch:Fe-S,12.0,"Invalid WP multiplicities - AB2_hR36_166_ad_2c3h:Fe-S, expected Fe2S11 to be FeS2" +mp-1430160,FeS2,-6.2244010767,-0.6434274287,0.2046814383,-0.066669148,GGA,R-3m,AB2_hR9_166_a_c:Fe-S,3.0,AB2_hR9_166_a_c:Fe-S +mp-226,FeS2,-6.4214920658,-0.8405184179,0.0075904492,-0.2637601372,GGA,Pa-3,AB2_cP12_205_a_c:Fe-S,12.0,AB2_cP12_205_a_c:Fe-S +mp-1404610,FeS2,-6.1779103142,-0.5969366662000001,0.2511722008,-0.0201783855,GGA,Fd-3m,AB2_cF48_227_c_e:Fe-S,12.0,AB2_cF48_227_c_e:Fe-S +mp-952567,Fe2S3,-6.561988341,-0.6921099369,0.119921365,0.119921365,GGA,R-3c,A2B3_hR30_167_c_e:Fe-S,10.0,A2B3_hR30_167_c_e:Fe-S +mp-22652,FeS,-6.8952456167000005,-0.5920100782000001,0.1659048758,0.0624965973,GGA,P2_1/c,AB_mP24_14_3e_3e:Fe-S,24.0,AB_mP24_14_3e_3e:Fe-S +mp-21410,FeS,-6.8317619525,-0.5285264141,0.22938854,0.1259802615,GGA,Pnma,AB_oP8_62_c_c:Fe-S,8.0,AB_oP8_62_c_c:Fe-S +mp-505531,FeS,-7.0611504925,-0.7579149541,0.0,-0.1034082785,GGA,P4/nmm,AB_tP4_129_a_c:Fe-S,4.0,AB_tP4_129_a_c:Fe-S +mp-849057,FeS,-6.79127729,-0.4880417516,0.2698732025,0.166464924,GGA,P-3m1,AB_hP4_164_ab_d:Fe-S,4.0,AB_hP4_164_ab_d:Fe-S +mp-616476,FeS,-6.7884436388000005,-0.4852081003,0.2727068537,0.1692985753,GGA,P6_3mc,AB_hP16_186_ac_bc:Fe-S,16.0,AB_hP16_186_2a3c_2b3c:Fe-S +mp-2779,FeS,-6.7616189221,-0.4583833836,0.2995315704,0.1961232919,GGA,P-62c,AB_hP24_190_i_afh:Fe-S,24.0,"Invalid WP multiplicities - AB_hP24_190_i_2a2f4h:Fe-S, expected FeS3 to be FeS" +mp-2099,FeS,-6.7454173575,-0.4421818191,0.315733135,0.2123248565,GGA,P6_3/mmc,AB_hP4_194_a_c:Fe-S,4.0,AB_hP4_194_a_c:Fe-S +mp-1209553,PuMoC2,-11.0534546969,-0.1607498406,0.0,-0.0919226944,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mo-Pu,16.0,A2BC_oP16_62_2c_c_c:C-Mo-Pu +mp-1193010,Gd2Mn17C3,-9.7091755118,-0.0913345608,0.0,-0.0151375406,GGA,R-3m,A3B2C17_hR66_166_e_c_cdfh:C-Gd-Mn,22.0,A3B2C17_hR66_166_e_c_cdfh:C-Gd-Mn +mp-28826,Gd3(MnC3)2,-10.8030071868,-0.2644262542,0.0,-0.0863399237,GGA,P6_3/m,A6B3C2_hP22_176_2h_h_bc:C-Gd-Mn,22.0,A6B3C2_hP22_176_2h_h_bc:C-Gd-Mn +mp-1212842,DyHfF7,-7.4290923483,-4.3241669436,0.0,-0.0455359049,GGA,P2_1,AB7C_mP18_4_a_7a_a:Dy-F-Hf,18.0,AB7C_mP18_4_a_7a_a:Dy-F-Hf +mp-1212843,DyF3,-7.0532877619,-4.4679818262,0.0,-4.4679818262,GGA,Pnma,AB3_oP16_62_c_cd:Dy-F,16.0,AB3_oP16_62_c_cd:Dy-F +mp-1212889,DyF3,-7.014509495,-4.4292035594,0.0387782669,-4.4292035594,GGA,P-3c1,AB3_hP24_165_f_adg:Dy-F,24.0,AB3_hP24_165_f_adg:Dy-F +mp-1213805,CrI3,-4.2793131846,-0.7610265546,0.0,-0.3177190696,GGA,P3_112,AB3_hP24_151_2a_3c:Cr-I,24.0,AB3_hP24_151_2a_3c:Cr-I +mp-1185925,Mn3I,-6.5403529,0.6995001566,0.9770546038,0.9770546038,GGA,Pm-3m,AB3_cP4_221_a_c:I-Mn,4.0,AB3_cP4_221_a_c:I-Mn +mp-1221924,Mn2CrI6,-4.7727646489,-0.6819561873000001,0.0369632906,0.0369632906,GGA,C2/m,AB6C2_mC18_12_a_3i_i:Cr-I-Mn,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_6i_i:Cr-I-Mn, expected Mn2CrI12 to be Mn2CrI6" +mp-28013,MnI2,-4.7763945233000005,-0.7401451926,0.0,-0.7401451926,GGA,P-3m1,A2B_hP3_164_d_a:I-Mn,3.0,A2B_hP3_164_d_a:I-Mn +mp-27215,CrI2,-4.79100337,-0.5910766467,0.0853914019,0.0853914019,GGA,C2/m,AB2_mC6_12_a_i:Cr-I,3.0,AB2_mC6_12_a_i:Cr-I +mp-567687,CrI2,-4.78260999,-0.5826832667,0.0937847819,0.0937847819,GGA,Cmc2_1,AB2_oC12_36_a_2a:Cr-I,6.0,AB2_oC12_36_a_2a:Cr-I +mp-1181742,CrI2,-4.76820508,-0.5682783567,0.1081896919,0.1081896919,GGA,P6_3mc,AB2_hP6_186_b_ab:Cr-I,6.0,AB2_hP6_186_b_ab:Cr-I +mp-862725,ScTc2W,-10.2337781025,-0.2308087963,0.0,-0.0020331206,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sc-Tc-W,4.0,AB2C_cF16_225_a_c_b:Sc-Tc-W +mp-1173137,SrThF6,-6.89362497,-4.3220967815,0.0771763775,0.0771763775,GGA,P-6m2,A6BC_hP8_187_abhi_c_f:F-Sr-Th,8.0,"Invalid WP multiplicities - A6BC_hP8_187_ab2hi_c_f:F-Sr-Th, expected SrThF8 to be SrThF6" +mp-1208269,TbZrF7,-7.1861858878,-4.2348059431,0.0,-0.0255672475,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Tb-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Tb-Zr +mp-1217859,Tb2F15,-4.2686083965,-2.0367897663,0.0656421687,0.0656421687,GGA,C2/c,A15B2_mC68_15_e7f_2e:F-Tb,34.0,"Invalid WP multiplicities - A15B2_mC68_15_2e19f_2e:F-Tb, expected TbF20 to be Tb2F15" +mp-1238971,Tb2F15,-4.2175210524,-1.9857024222,0.1167295128,0.1167295128,GGA,C2/c,A15B2_mC68_15_e7f_2e:F-Tb,34.0,"Invalid WP multiplicities - A15B2_mC68_15_2e19f_2e:F-Tb, expected TbF20 to be Tb2F15" +mp-11347,TbF3,-7.0598686125,-4.4676678619,0.0,-0.928680698,GGA,Pnma,A3B_oP16_62_cd_c:F-Tb,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:F-Tb, expected TbF5 to be TbF3" +mp-1208439,TbF4,-6.0142876647,-3.5582312707,0.0159030188,0.0159030188,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Tb,30.0,A4B_mC60_15_ce5f_ef:F-Tb +mp-684890,Tb4F15,-6.20996801,-3.7252496462,0.0369969743,0.0369969743,GGA,R-3c,A15B4_hR114_167_e2f_ae:F-Tb,38.0,"Invalid WP multiplicities - A15B4_hR114_167_6e21f_2a2e:F-Tb, expected TbF18 to be Tb4F15" +mp-1187695,V3Cr,-9.2547224175,-0.0285309975,0.0,-0.007751175,GGA,Fm-3m,AB3_cF16_225_a_bc:Cr-V,4.0,AB3_cF16_225_a_bc:Cr-V +mp-1216394,VCr,-9.410036415,-0.041559645,0.0,-0.0001966462,GGA,Cmmm,AB_oC4_65_a_c:Cr-V,2.0,AB_oC4_65_a_c:Cr-V +mp-865484,V2CrRe,-10.3151430425,-0.2487963438,0.0,-0.0495499125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Re-V,4.0,ABC2_cF16_225_a_b_c:Cr-Re-V +mp-1096517,VCrRe2,-6.3942402775,4.5122617,4.6444433988,4.6444433988,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Re-V,4.0,AB2C_oI8_71_a_e_b:Cr-Re-V +mp-1187696,VCr3,-9.56495712,-0.054195,0.0,-0.0334151775,GGA,Fm-3m,A3B_cF16_225_ac_b:Cr-V,4.0,A3B_cF16_225_ac_b:Cr-V +mp-1097336,VCr2Re,-6.31887848,3.8897535687,4.0219352675,4.0219352675,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Re-V,4.0,A2BC_oI8_71_e_a_b:Cr-Re-V +mp-1211238,La2SbI2,-5.03478741,-1.64523778,0.0,-0.058699388,GGA,P-3m1,A2B2C_hP5_164_d_d_a:I-La-Sb,5.0,A2B2C_hP5_164_d_d_a:I-La-Sb +mp-569224,SbI3,-2.7723262006,-0.6350511281,0.0463858606,-0.6350511281,GGA,P2_1/c,A3B_mP16_14_3e_e:I-Sb,16.0,"Invalid WP multiplicities - A3B_mP16_14_6e_e:I-Sb, expected SbI6 to be SbI3" +mp-23281,SbI3,-2.8187120613000003,-0.6814369888,0.0,-0.6814369888,GGA,R-3,A3B_hR24_148_f_c:I-Sb,8.0,A3B_hR24_148_f_c:I-Sb +mp-29998,La3SbI3,-4.8871659807,-1.5504343229000002,0.0,-0.0063343179,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-Sb,28.0,A3B3C_cI56_214_h_g_a:I-La-Sb +mp-8033,PuF3,-8.9796346225,-3.9790658144,0.0,-0.4154594225,GGA,P6_3/mmc,A3B_hP8_194_bf_c:F-Pu,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:F-Pu, expected PuF5 to be PuF3" +mp-1186128,Na3Pu,-4.0744746362,0.4843789163,0.4843789163,0.4843789163,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Pu,8.0,A3B_hP8_194_h_c:Na-Pu +mp-1006151,Na3Pu,-4.0197228325,0.5391307201000001,0.5391307201000001,0.5391307201000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Na-Pu,4.0,A3B_cF16_225_ac_b:Na-Pu +mp-976404,NaF3,-3.2328150925,-1.4685745435,0.0006822337,0.0006822337,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Na,4.0,A3B_tI8_139_ad_b:F-Na +mp-1221046,NaPuF4,-7.498693765,-3.6259805161,0.006234545,0.006234545,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Na-Pu,18.0,A4BC_aP18_1_12a_3a_3a:F-Na-Pu +mp-1181184,NaPu,-7.3254903733,0.4696914384,0.4696914384,0.4696914384,GGA,P-1,AB_aP12_2_3i_3i:Na-Pu,12.0,AB_aP12_2_6i_6i:Na-Pu +mp-1102303,NaPu,-7.2063800808,0.5888017309,0.5888017309,0.5888017309,GGA,R-3,AB_hR36_148_f_f:Na-Pu,12.0,AB_hR36_148_f_f:Na-Pu +mp-1209625,PuF4,-8.1839309913,-3.8011801513,0.0,-0.6179274998000001,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-Pu,30.0,A4B_mC60_15_ce5f_ef:F-Pu +mp-682,NaF,-4.555515685,-2.9385135545,0.0,-1.9594638589,GGA,Fm-3m,AB_cF8_225_a_b:F-Na,2.0,AB_cF8_225_a_b:F-Na +mp-1019550,BeGeN2,-7.0615909981,-0.8027333556,0.0,-0.1506669258,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Be-Ge-N,16.0,ABC2_oP16_33_a_a_2a:Be-Ge-N +mp-1187840,YErCd2,-3.549696635,-0.3297042742,0.0067471175,0.0067471175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Er-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Er-Y +mp-20802,Eu(POs)2,-9.390499828,-0.6828314933,0.0,-0.089668972,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Os-P,5.0,AB2C2_tI10_139_a_d_e:Eu-Os-P +mp-1183047,ZrU3,-10.2291568575,0.3763258075,0.3763258075,0.3763258075,GGA,I4/mmm,A3B_tI8_139_ad_b:U-Zr,4.0,A3B_tI8_139_ad_b:U-Zr +mp-1207452,Zr3(UGe2)2,-7.9842524206,-0.5711376061,0.0287108965,0.0287108965,GGA,P2_1/c,A4B2C3_mP18_14_2e_e_ae:Ge-U-Zr,18.0,A4B2C3_mP18_14_2e_e_ae:Ge-U-Zr +mp-1215193,ZrU,-9.691964265,0.227591055,0.227591055,0.227591055,GGA,Cmmm,AB_oC4_65_a_c:U-Zr,2.0,AB_oC4_65_a_c:U-Zr +mp-1215541,Zr2U,-9.2409858933,0.22128453,0.22128453,0.22128453,GGA,P-6m2,AB2_hP3_187_a_cf:U-Zr,3.0,AB2_hP3_187_a_cf:U-Zr +mp-1206978,Zr2U,-9.1627683333,0.29950209,0.29950209,0.29950209,GGA,P6/mmm,AB2_hP3_191_a_d:U-Zr,3.0,AB2_hP3_191_a_d:U-Zr +mp-1224613,Hf8Ni4N,-9.1680722515,-0.6207988758,0.013394025,0.013394025,GGA,Imma,A8BC4_oI52_74_ac2ej_b_hi:Hf-N-Ni,26.0,"Invalid WP multiplicities - A8BC4_oI52_74_ac4e2j_b_2h2i:Hf-N-Ni, expected Hf14Ni8N to be Hf8Ni4N" +mp-8192,Rb2PtF6,-4.6087324689,-2.4419463278,0.0,-0.2920130361,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Pt-Rb,9.0,A6BC2_hP9_164_i_a_d:F-Pt-Rb +mp-2064,RbF,-4.221078025,-2.775071505,0.09946697,-1.1873771294,GGA,Pm-3m,AB_cP2_221_a_b:F-Rb,2.0,AB_cP2_221_a_b:F-Rb +mp-11718,RbF,-4.320544995,-2.874538475,0.0,-1.2868440994,GGA,Fm-3m,AB_cF8_225_a_b:F-Rb,2.0,AB_cF8_225_a_b:F-Rb +mp-863016,RbF2,-3.7180898367,-2.1169258342,0.051614305,0.051614305,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-Rb,6.0,A2B_tP6_136_f_a:F-Rb +mp-726170,RbF3,-3.494283715,-1.8155409712,0.0,-0.2278465956,GGA,P2_1,A3B_mP16_4_6a_2a:F-Rb,16.0,A3B_mP16_4_12a_4a:F-Rb +mp-1179728,RbF3,-3.4917238563,-1.8129811125,0.0025598587,-0.2252867369,GGA,P2_12_12_1,A3B_oP16_19_3a_a:F-Rb,16.0,A3B_oP16_19_3a_a:F-Rb +mp-975422,RbF3,-3.34923453,-1.6704917863,0.145049185,-0.0827974106,GGA,Cmcm,A3B_oC16_63_cg_c:F-Rb,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c2g_c:F-Rb, expected RbF6 to be RbF3" +mp-975337,RbF3,-3.1365436875,-1.4578009437,0.3577400275,0.1298934319,GGA,I4/mmm,A3B_tI8_139_ad_b:F-Rb,4.0,A3B_tI8_139_ad_b:F-Rb +mp-975312,RbF3,-3.1486516975,-1.4699089538,0.3456320175,0.1177854219,GGA,Pm-3m,A3B_cP4_221_c_a:F-Rb,4.0,A3B_cP4_221_c_a:F-Rb +mp-1078792,U(GePt)2,-7.076347088,-0.540400616,0.023398037,0.023398037,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Pt-U,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Pt-U +mp-19805,U(GePt)2,-6.977135254,-0.441188782,0.122609871,0.122609871,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pt-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Pt-U +mp-22065,UGePt,-7.9541946867,-0.6256709583,0.0016342183,-0.1280460556,GGA,Imm2,ABC_oI12_44_c_c_ab:Ge-Pt-U,6.0,ABC_oI12_44_c_c_ab:Ge-Pt-U +mp-983608,UGePt,-7.955828905,-0.6273051767000001,0.0,-0.129680274,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-U,12.0,ABC_oP12_62_c_c_c:Ge-Pt-U +mp-1189358,U(Ge3Pt)4,-5.6161331047,-0.2601167782,0.0585110597,0.0585110597,GGA,Im-3,A12B4C_cI34_204_g_c_a:Ge-Pt-U,17.0,A12B4C_cI34_204_g_c_a:Ge-Pt-U +mp-1184179,Er3P,-5.1033820625,-0.3242673283,0.480102395,0.480102395,GGA,I4/mmm,A3B_tI8_139_ad_b:Er-P,4.0,A3B_tI8_139_ad_b:Er-P +mp-1191019,Er2Mn12P7,-8.1906160152,-0.7157236975,0.0,-0.0422458777,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Mn-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Mn-P +mp-1002224,ErP,-6.04558441,-1.0550737517,0.5536656950000001,-0.8388955328000001,GGA,Pm-3m,AB_cP2_221_a_b:Er-P,2.0,AB_cP2_221_a_b:Er-P +mp-1144,ErP,-6.599250105,-1.6087394467,0.0,-1.3925612278,GGA,Fm-3m,AB_cF8_225_a_b:Er-P,2.0,AB_cF8_225_a_b:Er-P +mp-1104766,U(Fe2Ge)2,-7.9454566986,-0.1715209043,0.0287941071,0.0287941071,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-U,14.0,A4B2C_tP14_136_i_f_a:Fe-Ge-U +mp-1204045,U2Fe15Ge2,-8.3702836024,-0.0082207666,0.098079375,0.098079375,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Fe-Ge-U,38.0,A15B2C2_hP38_194_gjk_f_bc:Fe-Ge-U +mp-1095452,U3Fe2Ge7,-7.2099106208,-0.2786216679,0.0250356674,0.0250356674,GGA,Cmmm,A2B7C3_oC24_65_g_c2gh_ah:Fe-Ge-U,12.0,A2B7C3_oC24_65_g_c2gh_ah:Fe-Ge-U +mp-1102754,U3(FeGe)4,-8.0887145618,-0.2481303536,0.0442445294,0.0442445294,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-U,11.0,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-U +mp-20602,U(FeGe)2,-7.717789778,-0.22228815,0.0279250666,0.0279250666,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-U,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-U +mp-20917,U2Fe3Ge,-9.035989655,-0.2666710708,0.0,-0.0520292392,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Ge-U,12.0,A3BC2_hP12_194_h_a_f:Fe-Ge-U +mp-607816,UFeGe,-8.45566263,-0.327509605,0.0,-0.0509126321,GGA,P2_1/m,ABC_mP12_11_2e_2e_2e:Fe-Ge-U,12.0,"Invalid WP multiplicities - ABC_mP12_11_4e_2e_3e:Fe-Ge-U, expected U3(Fe2Ge)2 to be UFeGe" +mp-1474,Re3P4,-8.8080471186,-0.3813626069,0.0,-0.0399688947,GGA,C2/m,A4B3_mC14_12_2i_ai:P-Re,7.0,A4B3_mC14_12_2i_ai:P-Re +mp-22437,Re6P13,-7.9988007574,-0.3651115102,0.0047945663,0.0047945663,GGA,R-3,A13B6_hR114_148_c4f_2f:P-Re,38.0,A13B6_hR114_148_c4f_2f:P-Re +mp-1637,Re2P,-10.3921084308,-0.2913228053,0.0,-0.0688612846,GGA,Pnma,AB2_oP12_62_c_2c:P-Re,12.0,AB2_oP12_62_c_2c:P-Re +mp-1194469,Zr9Re4P,-9.8452755264,-0.408081461,0.021679418,0.021679418,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:P-Re-Zr,28.0,AB4C9_hP28_194_c_ah_hk:P-Re-Zr +mp-27736,Re2P5,-7.789074845,-0.3668510017,0.0,-0.0131103008,GGA,P-1,A5B2_aP28_2_10i_4i:P-Re,28.0,A5B2_aP28_2_10i_4i:P-Re +mp-27267,ReP4,-7.1408813365,-0.3213338942,0.0,-0.0531857007,GGA,Pbca,A4B_oP40_61_4c_c:P-Re,40.0,A4B_oP40_61_4c_c:P-Re +mp-1188155,ReP3,-7.5062939181,-0.3351852419,0.0127002983,0.0127002983,GGA,Pnma,A3B_oP16_62_3c_c:P-Re,16.0,A3B_oP16_62_3c_c:P-Re +mp-974565,ReP3,-6.693225315,0.4778833612,0.8257689015,0.8257689015,GGA,Fm-3m,A3B_cF16_225_ac_b:P-Re,4.0,A3B_cF16_225_ac_b:P-Re +mp-1198503,U(Zn10Rh)2,-2.4108716833,-0.1841369898,0.0,-0.0089636666,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Rh-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Rh-U-Zn +mp-1097605,AlTc2W,-5.6276472025,3.728598785,4.0394075775,4.0394075775,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Tc-W,4.0,AB2C_oI8_71_a_e_b:Al-Tc-W +mp-631549,HfGeB2,-5.7027835125,1.2819665942,2.0453813138,2.0453813138,GGA,F-43m,A2BC_cF16_216_ac_b_d:B-Ge-Hf,4.0,A2BC_cF16_216_ac_b_d:B-Ge-Hf +mp-1206988,NbBRh3,-8.04424141,-0.2695173258,0.2306206333,0.2306206333,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Nb-Rh,5.0,ABC3_cP5_221_b_a_c:B-Nb-Rh +mp-1246065,TiMoN3,-9.618662941,-0.8685375607,0.1130105897,0.1130105897,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Ti,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Ti +mp-31219,Si3W5,-10.2813356606,-0.1480100056,0.0466132394,0.0466132394,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Si-W,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_b2k:Si-W, expected SiW3 to be Si3W5" +mp-1217773,Ta(Si5W2)2,-8.1675557093,-0.3046571193,0.0581559609,0.0581559609,GGA,I4/mmm,A10BC4_tI30_139_5e_a_2e:Si-Ta-W,15.0,"Invalid WP multiplicities - A10BC4_tI30_139_9e_a_3e:Si-Ta-W, expected Ta(Si3W)6 to be Ta(Si5W2)2" +mp-1079377,Si2W3,-9.914548369,0.030456981,0.238055109,0.238055109,GGA,P4/mbm,A2B3_tP10_127_g_ah:Si-W,10.0,A2B3_tP10_127_g_ah:Si-W +mp-570334,SiW3,-9.73589811,1.33902907,1.4687779,1.4687779,GGA,Im-3m,AB3_cI8_229_a_b:Si-W,4.0,AB3_cI8_229_a_b:Si-W +mp-972748,Si3W,-6.8547087725,0.4538123075,0.7133099675,0.7133099675,GGA,P6_3/mmc,A3B_hP8_194_h_c:Si-W,8.0,A3B_hP8_194_h_c:Si-W +mp-1620,Si2W,-8.28225231,-0.34599688,0.0,-0.2670582103,GGA,I4/mmm,A2B_tI6_139_e_a:Si-W,3.0,A2B_tI6_139_e_a:Si-W +mp-8939,Si2W,-8.2144069844,-0.2781515544,0.0678453256,-0.1992128848,GGA,P6_222,A2B_hP9_180_i_c:Si-W,9.0,A2B_hP9_180_i_c:Si-W +mp-1222669,Li2IBr,-3.36277285,-1.6517127467,0.01103782,0.01103782,GGA,P3m1,ABC2_hP4_156_a_b_ab:Br-I-Li,4.0,ABC2_hP4_156_a_b_ab:Br-I-Li +mp-570935,LiI,-3.138792105,-1.4476474967,0.0,-1.4476474967,GGA,P6_3mc,AB_hP4_186_b_b:I-Li,4.0,AB_hP4_186_b_b:I-Li +mp-568273,LiI,-3.10249172,-1.4113471117,0.036300385,-1.4113471117,GGA,P6_3/mmc,AB_hP4_194_c_a:I-Li,4.0,AB_hP4_194_c_a:I-Li +mp-22899,LiI,-3.102256465,-1.4111118567,0.03653564,-1.4111118567,GGA,Fm-3m,AB_cF8_225_a_b:I-Li,2.0,AB_cF8_225_a_b:I-Li +mp-566,CeP5,-6.008617845,-0.5086842303,0.0137486,0.0137486,GGA,P2_1/m,AB5_mP12_11_e_e2f:Ce-P,12.0,AB5_mP12_11_e_e2f:Ce-P +mp-651900,CeSiP3,-6.1807964145,-0.6611334735000001,0.0198767445,0.0198767445,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Ce-P-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_33_4a_19a_5a:Ce-P-Si, expected Ce4Si5P19 to be CeSiP3" +mp-21143,CeP,-6.8297779,-1.1565820692,0.344033225,-0.3729328238,GGA,Pm-3m,AB_cP2_221_a_b:Ce-P,2.0,AB_cP2_221_a_b:Ce-P +mp-2154,CeP,-7.173811125,-1.5006152942000002,0.0,-0.7169660488,GGA,Fm-3m,AB_cF8_225_a_b:Ce-P,2.0,AB_cF8_225_a_b:Ce-P +mp-1191893,CeP2,-6.59019949,-1.0036347672,0.0412308933,0.001014995,GGA,Cc,AB2_mC48_9_4a_8a:Ce-P,24.0,AB2_mC48_9_4a_8a:Ce-P +mp-568080,CeP2,-6.6314303833,-1.0448656606,0.0,-0.0402158983,GGA,P2_1/c,AB2_mP12_14_e_2e:Ce-P,12.0,"Invalid WP multiplicities - AB2_mP12_14_e_5e:Ce-P, expected CeP5 to be CeP2" +mp-1183770,CeP3,-6.04894231,-0.5056931413,0.2779561042,0.2779561042,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-P,8.0,AB3_hP8_194_c_h:Ce-P +mp-1187776,U3Cu,-9.3142935075,0.1790656675,0.1790656675,0.1790656675,GGA,Fm-3m,AB3_cF16_225_a_bc:Cu-U,4.0,AB3_tI8_139_a_bd:Cu-U +mp-979274,UAg3,-4.580044835,0.36722467,0.36722467,0.36722467,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-U,4.0,A3B_tI8_139_ad_b:Ag-U +mp-1072653,UCu4Ag,-5.0044222967,0.0823764856,0.0823764856,0.0823764856,GGA,F-43m,AB4C_cF24_216_a_e_c:Ag-Cu-U,6.0,AB4C_cF24_216_a_e_c:Ag-Cu-U +mp-510148,UCu5,-5.1956311817,0.102276045,0.102276045,0.102276045,GGA,F-43m,A5B_cF24_216_ae_c:Cu-U,6.0,A5B_cF24_216_ae_c:Cu-U +mp-1214080,Ca3SbI3,-3.7305720143,-1.6497291671,0.0,-0.0341873633,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ca-I-Sb,28.0,A3B3C_cI56_214_g_h_a:Ca-I-Sb +mp-17651,HoPtF7,-5.5917986031,-2.9213658294,0.0,-0.0644392992,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Ho-Pt,36.0,A7BC_mP36_14_7e_e_e:F-Ho-Pt +mp-978798,Sm3I,-4.11340341,-0.2061222213,0.3664068763,0.3664068763,GGA,I4/mmm,AB3_tI8_139_a_bd:I-Sm,4.0,AB3_tI8_139_a_bd:I-Sm +mp-979293,Sm3I,-4.1088592912,-0.2015781025,0.370950995,0.370950995,GGA,P6_3/mmc,AB3_hP8_194_c_h:I-Sm,8.0,AB3_hP8_194_c_h:I-Sm +mp-978679,SmI,-4.198075415,-1.1020991725,0.0429590225,0.0429590225,GGA,P-6m2,AB_hP2_187_a_d:I-Sm,2.0,AB_hP2_187_a_d:I-Sm +mp-863028,SmI3,-4.0022585888,-1.7175872925,0.0,-0.6568766709,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Sm,8.0,A3B_hP8_194_h_c:I-Sm +mp-1209030,Sm2TlI5,-3.6566698097,-1.2608389139,0.2164452376,0.2164452376,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:I-Sm-Tl,32.0,A5B2C_mP32_14_5e_2e_e:I-Sm-Tl +mp-581941,SmI2,-3.9693871071,-1.4142808287,0.1124634313,0.1124634313,GGA,Pbca,A2B_oP24_61_2c_c:I-Sm,24.0,"Invalid WP multiplicities - A2B_oP24_61_8c_c:I-Sm, expected SmI8 to be SmI2" +mp-1106165,Nb5Si3B,-8.8293693617,-0.6669392438,0.0,-0.0084802728,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Nb-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Nb-Si +mp-1209930,Nb5SiB2,-9.3042107519,-0.6428824054000001,0.0,-0.0227839973,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Nb-Si,16.0,A2B5C_tI32_140_h_cl_a:B-Nb-Si +mp-1220752,Nb10(SiB)3,-9.2170366062,-0.6340878686,0.0112222869,0.0112222869,GGA,Fmm2,A3B10C3_oF64_42_ac_c2de_ab:B-Nb-Si,16.0,"Invalid WP multiplicities - A3B10C3_oF64_42_ac_c4d2e_ab:B-Nb-Si, expected Nb6SiB to be Nb10(SiB)3" +mp-1205326,Tb7PtI12,-4.3669949105,-1.5573902995000002,0.0,-0.0581056729,GGA,R-3,A12BC7_hR60_148_2f_a_bf:I-Pt-Tb,20.0,A12BC7_hR60_148_2f_a_bf:I-Pt-Tb +mp-30946,Ga2PdI8,-2.8424786627,-0.7494782395,0.0,-0.0051861695,GGA,C2/m,A2B8C_mC22_12_i_2ij_a:Ga-I-Pd,11.0,"Invalid WP multiplicities - A2B8C_mC22_12_i_2i2j_a:Ga-I-Pd, expected Ga2PdI12 to be Ga2PdI8" +mp-1178425,CoF3,-5.2853690475,-2.0746803731,0.0843032969,-0.1178635031,GGA+U,C2,AB3_mC24_5_ac_b4c:Co-F,12.0,"Invalid WP multiplicities - AB3_mC24_5_a2c_b8c:Co-F, expected Co5F17 to be CoF3" +mp-559435,CoF3,-5.3650691025,-2.1543804281,0.0046032419,-0.1975635581,GGA+U,Pm-3m,AB3_cP4_221_a_d:Co-F,8.0,AB3_hR12_166_a_d:Co-F +mp-1271165,CoF3,-5.3552449644,-2.14455629,0.01442738,-0.18773942,GGA+U,C2/m,AB3_mC32_12_abi_fg4i:Co-F,16.0,AB3_aP16_1_4a_12a:Co-F +mp-1182416,CoF3,-5.2392577163,-2.0285690419,0.1304146281,-0.0717521719,GGA+U,C2/c,AB3_mC16_15_c_ef:Co-F,8.0,"Invalid WP multiplicities - AB3_mC16_15_a_2e3f:Co-F, expected CoF8 to be CoF3" +mp-1271166,CoF3,-5.3329834463,-2.1222947719,0.0366888981,-0.1654779019,GGA+U,Cmmm,AB3_oC32_65_2g_abg2hp:Co-F,16.0,"Invalid WP multiplicities - AB3_oC32_65_2g_ab2g2hp:Co-F, expected Co2F7 to be CoF3" +mp-1271121,CoF3,-5.3588781813,-2.1481895069,0.0107941631,-0.1913726369,GGA+U,P4/mbm,AB3_tP8_127_d_cg:Co-F,8.0,AB3_tP8_127_d_cg:Co-F +mp-1271079,CoF3,-5.3696723444,-2.15898367,0.0,-0.2021667999999999,GGA+U,I4/mcm,AB3_tI32_140_g_bdl:Co-F,16.0,"Invalid WP multiplicities - AB3_tI32_140_g_2b2d2l:Co-F, expected CoF6 to be CoF3" +mp-860537,CoF3,-5.1199724608,-1.9092837865,0.2496998835,0.0475330835,GGA+U,P321,AB3_hP12_150_ad_fg:Co-F,12.0,"Invalid WP multiplicities - AB3_hP12_150_a2d_3f4g:Co-F, expected Co5F33 to be CoF3" +mp-559473,CoF3,-5.3173619288000005,-2.1066732544,0.0523104156,-0.1498563844,GGA+U,R-3c,AB3_hR24_167_b_e:Co-F,8.0,AB3_hR24_167_b_e:Co-F +mp-556492,CoPtF6,-5.0271160512,-1.9460754362,0.0,-0.0828071006,GGA+U,R-3,AB6C_hR24_148_a_f_b:Co-F-Pt,8.0,AB6C_hR24_148_a_f_b:Co-F-Pt +mp-555908,CoF2,-5.99539223,-2.3516336533,0.0,-0.4325370578,GGA+U,P4_2/mnm,AB2_tP6_136_a_f:Co-F,6.0,AB2_tP6_136_a_f:Co-F +mp-1397055,CoF4,-4.670773533,-1.7199268,0.007260136,0.007260136,GGA+U,I4/mcm,AB4_tI20_140_d_l:Co-F,10.0,AB4_tI20_140_d_l:Co-F +mp-962074,YTlCd,-3.1880143767,0.06265363,0.3771318253,0.3771318253,GGA,F-43m,ABC_cF12_216_a_b_c:Cd-Tl-Y,3.0,ABC_cF12_216_a_b_c:Cd-Tl-Y +mp-865651,Y2TlCd,-4.4334491825,-0.3788303992,0.0,-0.016559835,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Tl-Y,4.0,ABC2_cF16_225_a_b_c:Cd-Tl-Y +mp-1246613,Mo(PbN)3,-6.5081066993,0.2051898857,0.364294532,0.364294532,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Mo-N-Pb,14.0,"Invalid WP multiplicities - AB3C3_mP14_11_e_6e_6e:Mo-N-Pb, expected Mo(PbN)6 to be Mo(PbN)3" +mp-1246704,Mo3Pb3N5,-7.8320235432,-0.0722629827,0.231482251,0.231482251,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Mo-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Mo-N-Pb +mp-1186019,MoPb3,-4.756391815,0.739506015,0.739506015,0.739506015,GGA,Pm-3m,AB3_cP4_221_a_c:Mo-Pb,4.0,AB3_cP4_221_a_c:Mo-Pb +mp-1065115,MoPb,-6.31008737,0.96906122,0.96906122,0.96906122,GGA,I4_1/amd,AB_tI8_141_a_b:Mo-Pb,4.0,AB_tI8_141_a_b:Mo-Pb +mp-1246071,Mo2Pb3N4,-7.2588274603,0.0939748875,0.3414710039,0.3414710039,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Mo-N-Pb,36.0,A2B4C3_oP36_52_cd_2e_ce:Mo-N-Pb +mp-1219177,Sm2C,-6.38412618,-0.1621802592,0.0,-0.0479200961,GGA,R-3m,AB2_hR9_166_a_c:C-Sm,3.0,AB2_hR9_166_a_c:C-Sm +mp-10606,Sm3TlC,-5.489774876,-0.3403614672,0.0,-0.0885949122,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Sm-Tl,5.0,AB3C_cP5_221_b_c_a:C-Sm-Tl +mp-12764,SmC2,-7.87405793,-0.1487522233,0.0226380213,0.0226380213,GGA,I4/mmm,A2B_tI6_139_e_a:C-Sm,3.0,A2B_tI6_139_e_a:C-Sm +mp-569335,Sm2C3,-7.630302043,-0.2056682935,0.0,-0.054230463,GGA,I-43d,A3B2_cI40_220_d_c:C-Sm,20.0,A3B2_cI40_220_d_c:C-Sm +mp-1025297,SmC6,-8.6090774786,-0.0247090371,0.0487439248,0.0487439248,GGA,P6/mmm,A6B_hP7_191_j_b:C-Sm,7.0,A6B_hP7_191_j_b:C-Sm +mp-17420,SmC10,-8.5212742471,0.2973840311,0.344126825,0.344126825,GGA,Im-3,A10B_cI132_204_g2h_e:C-Sm,66.0,A10B_cI132_204_g2h_e:C-Sm +mp-1226353,Cr2Pt2C,-5.819622724,2.3157826905,2.4935417045,2.4935417045,GGA,P4/mmm,AB2C2_tP5_123_c_e_ab:C-Cr-Pt,5.0,AB2C2_tP5_123_c_e_ab:C-Cr-Pt +mp-1611,SmO,-7.940441595,-3.1078041719,0.1111256977,0.1111256977,GGA,Fm-3m,AB_cF8_225_a_b:O-Sm,2.0,AB_cF8_225_a_b:O-Sm +mp-1219175,Sm2O,-6.8424273467,-2.0478070196,0.0981462268,0.0981462268,GGA,P4/mmm,AB2_tP3_123_a_bc:O-Sm,3.0,AB2_tP3_123_a_bc:O-Sm +mp-33104,Sm2O,-6.8691055267,-2.0744851996,0.0714680468,0.0714680468,GGA,I4_1/amd,AB2_tI12_141_a_e:O-Sm,6.0,AB2_tI12_141_a_e:O-Sm +mp-1745,Sm2O3,-8.68567506,-3.8302273792,0.0324884642,-0.749253287,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Sm,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a5i_3i:O-Sm, expected Sm6O11 to be Sm2O3" +mp-1219167,Sm2O3,-8.502345376000001,-3.6468976952,0.2158181482,-0.565923603,GGA,P-4m2,A3B2_tP5_115_abc_g:O-Sm,5.0,A3B2_tP5_115_abc_g:O-Sm +mp-10733,Sm2O3,-8.67864739,-3.8231997093,0.0395161342,-0.742225617,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Sm,5.0,A3B2_hP5_164_ad_d:O-Sm +mp-218,Sm2O3,-8.7181635242,-3.8627158435,0.0,-0.7817417513,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Sm,40.0,A3B2_cI80_206_e_ad:O-Sm +mp-684768,Sm2O3,-8.268924694,-3.4134770133,0.4492388302,-0.332502921,GGA,Pn-3m,A3B2_cP10_224_d_b:O-Sm,10.0,A3B2_cP10_224_d_b:O-Sm +mp-1077235,SmO2,-7.9337418917,-3.0630873725,0.1558424971,0.1558424971,GGA,P2_1/m,A2B_mP6_11_2e_e:O-Sm,6.0,A2B_mP6_11_2e_e:O-Sm +mp-1025421,SmO3,-6.8766667575,-1.9870036903,0.4271937119,0.4271937119,GGA,P6_3/m,A3B_hP8_176_h_c:O-Sm,8.0,A3B_hP8_176_h_c:O-Sm +mp-1208895,Sm2HgO4,-7.196266145,-2.978036505,0.0,-0.0364710552,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Hg-O-Sm,14.0,AB4C2_mC28_12_i_4i_2i:Hg-O-Sm +mp-579102,Sm32O21,-7.1613629808,-2.3523965797,0.1984535056,0.1984535056,GGA,R3m,A21B32_hR159_160_3b2c_2a6b2c:O-Sm,53.0,"Invalid WP multiplicities - A21B32_hR159_160_7b8c_2a17b9c:O-Sm, expected Sm107O69 to be Sm32O21" +mp-1104222,YFe12,-8.3152757777,0.0006261941,0.0202652877,0.0202652877,GGA,I4/mmm,A12B_tI26_139_fij_a:Fe-Y,13.0,A12B_tI26_139_fij_a:Fe-Y +mp-30641,Y6Fe23,-8.0970835741,-0.0415899703,0.0098510466,0.0098510466,GGA,Fm-3m,A23B6_cF116_225_ad2f_e:Fe-Y,29.0,A23B6_cF116_225_ad2f_e:Fe-Y +mp-1105569,Y2Fe17,-8.2657632968,-0.006642097,0.0202324521,0.0202324521,GGA,R-3m,A17B2_hR57_166_cdfh_c:Fe-Y,19.0,A17B2_hR57_166_cdfh_c:Fe-Y +mp-1196012,Y2Fe17,-8.2670046179,-0.0078834181,0.0189911311,0.0189911311,GGA,P6_3/mmc,A17B2_hP38_194_fgjk_bc:Fe-Y,38.0,A17B2_hP38_194_fgjk_bc:Fe-Y +mp-11385,YFe5,-8.1786475633,-0.0425513694,0.0,-0.00190761,GGA,P6/mmm,A5B_hP6_191_cg_a:Fe-Y,6.0,A5B_hP6_191_cg_a:Fe-Y +mp-1093983,Y2FePd,-4.4787158,2.1669955117,2.6500668858000003,2.6500668858000003,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Fe-Pd-Y +mp-1102392,YFe3,-8.030099325,-0.0609656392,0.0,-0.0084710117,GGA,R-3m,A3B_hR36_166_ach_bc:Fe-Y,12.0,A3B_hR36_166_ach_bc:Fe-Y +mp-1192321,YFe3,-8.0294896467,-0.0603559608,0.0006096783,-0.0078613333,GGA,P6_3/mmc,A3B_hP24_194_abck_df:Fe-Y,24.0,A3B_hP24_194_abck_df:Fe-Y +mp-1178773,YFe2,-7.8625624487,-0.0603912709,0.0020466147,-0.0061995916,GGA,I-4,A2B_tI60_82_5g_ac2g:Fe-Y,30.0,A2B_cF24_227_c_b:Fe-Y +mp-1178900,YFe2,-7.8631211681,-0.0609499903,0.0014878952,-0.0067583111,GGA,I-43m,A2B_cI192_217_c3gh_abc2g:Fe-Y,96.0,A2B_cF24_227_c_b:Fe-Y +mp-1570,YFe2,-7.8646090633,-0.0624378856,0.0,-0.0082462063,GGA,Fd-3m,A2B_cF24_227_c_b:Fe-Y,6.0,A2B_cF24_227_c_b:Fe-Y +mp-13412,Y3Fe29,-8.2851226941,-0.0029343056,0.0210008397,0.0210008397,GGA,C2/m,A29B3_mC64_12_ceg4i4j_bi:Fe-Y,32.0,A29B3_mC64_12_aeh4i4j_ci:Fe-Y +mp-19777,Yb3InC,-3.304990758,0.0148440545,0.2798760452,0.2798760452,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Yb,,ABC3_cP5_221_b_a_c:C-In-Yb +mp-9546,Yb2C3,-6.27400774,-0.1209651325,0.0,-0.0632211755,GGA,I-43d,A3B2_cI40_220_d_c:C-Yb,,A3B2_cI40_220_d_c:C-Yb +mp-1103975,YbC6,-8.212720115,-0.0824913671,0.0,-0.0392895341,GGA,P6_3/mmc,A6B_hP14_194_i_c:C-Yb,,A6B_hP14_194_i_c:C-Yb +mp-1199344,Yb3C4,-5.7020274283,0.2313278303,0.3465327184,0.3465327184,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Yb,,A4B3_tP70_128_2eghi_aehi:C-Yb +mp-1202282,Yb15C19,-5.5394562281,0.2969781412,0.409641745,0.409641745,GGA,P-42_1c,A19B15_tP68_114_ac4e_bc3e:C-Yb,,A19B15_tP68_114_ac4e_bc3e:C-Yb +mp-15371,Yb15C19,-5.5441895349,0.2922448345,0.4049084383,0.4049084383,GGA,P4/mnc,A19B15_tP68_128_aeghi_behi:C-Yb,,"Invalid WP multiplicities - A19B15_tP68_128_ae3g2h2i_behi:C-Yb, expected Yb5C13 to be Yb15C19" +mp-1100,YbC2,-6.7155467333,-0.0499003117,0.0610901409,0.0610901409,GGA,I4/mmm,A2B_tI6_139_e_a:C-Yb,,A2B_tI6_139_e_a:C-Yb +mp-1215848,Yb2C,-3.8314461567,0.2711811942,0.3383840456,0.3383840456,GGA,R-3m,AB2_hR9_166_a_c:C-Yb,,AB2_hR9_166_a_c:C-Yb +mp-1021506,La(P3Os)4,-7.3741455953,-0.6209040126,0.0,-0.0381300861,GGA,Im-3,AB4C12_cI34_204_a_c_g:La-Os-P,17.0,AB4C12_cI34_204_a_c_g:La-Os-P +mp-1207331,TbSeI,-2.168274365,1.0329402776,2.9857906553,2.9857906553,GGA,Pmmm,ABC_oP6_47_i_i_i:I-Se-Tb,6.0,ABC_oP6_47_i_i_i:I-Se-Tb +mp-1212622,Ge19(SbI)4,-4.1938140939,-0.1105918863,0.0289609748,0.0289609748,GGA,P-43n,A19B4C4_cP54_218_cei_ad_e:Ge-I-Sb,54.0,A19B4C4_cP54_218_cei_ad_e:Ge-I-Sb +mp-568782,Dy(PPt4)2,-6.45326976,-0.6348644497,0.0,-0.0286502082,GGA,C2/m,AB2C8_mC22_12_a_i_4i:Dy-P-Pt,11.0,"Invalid WP multiplicities - AB2C8_mC22_12_a_i_6i:Dy-P-Pt, expected Dy(PPt6)2 to be Dy(PPt4)2" +mp-16326,DyPPt,-6.7119185333,-1.3481776444,0.0,-0.0996578529,GGA,P-6m2,ABC_hP3_187_b_c_e:Dy-P-Pt,3.0,ABC_hP3_187_b_c_e:Dy-P-Pt +mp-1208692,Yb(BRu)2,-6.559980755,0.1294586253,0.510568028,0.510568028,GGA,P4_2/mmc,A2B2C_tP10_131_g_i_c:B-Ru-Yb,,A2B2C_tP10_131_g_i_c:B-Ru-Yb +mp-1200533,Yb(BRu)4,-7.6850977278,-0.4234548919,0.0,-0.0669785163,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Yb,,A4B4C_tI72_142_g_g_b:B-Ru-Yb +mp-3268,YbB2Ru3,-7.4767041767,-0.3564376031,0.0,-0.0102874496,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Yb,,A2B3C_hP6_191_c_g_a:B-Ru-Yb +mp-1200067,Yb2B6Ru,-6.2415704189,-0.4160182272,0.0348766433,0.0348766433,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Ru-Yb,,A6BC2_oP36_55_6h_g_2g:B-Ru-Yb +mp-982045,YbB4Ru,-6.7360776579,-0.480814674,0.0,-0.0287276419,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ru-Yb,,A4BC_oP24_55_4h_g_g:B-Ru-Yb +mp-1201577,Nd2USe5,-6.7076327659,-1.919224983,0.0,-0.0220520445,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Nd-Se-U,32.0,A2B5C_oP32_62_d_3cd_c:Nd-Se-U +mp-37521,Nd2USe4,-6.8224619779,-1.8494118656,0.0462669748,0.0462669748,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-Se-U,14.0,A2B4C_tI28_122_d_e_a:Nd-Se-U +mp-1215833,Yb5P12Ir19,-7.4684952014,-0.7854973986,0.0,-0.1549470463,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Yb,,A19B12C5_hP36_189_afgjk_2fk_cg:Ir-P-Yb +mp-1207711,Y2(Al3Rh)3,-5.7467522121,-0.837034476,0.0,-0.103035753,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-Y +mp-1245885,RbZnN,-3.50790177,0.0176890992,0.2181824345,0.2181824345,GGA,Pnma,ABC_oP12_62_c_c_c:N-Rb-Zn,12.0,ABC_oP12_62_c_c_c:N-Rb-Zn +mp-1245894,RbZnN,-3.4352925333,0.0902983358,0.2907916711,0.2907916711,GGA,P-6m2,ABC_hP3_187_a_c_b:N-Rb-Zn,3.0,ABC_hP3_187_a_c_b:N-Rb-Zn +mp-569340,Rb2ZnN12,-7.0821979493,-0.1982812257,0.0251567962,0.0251567962,GGA,Pca2_1,A12B2C_oP60_29_12a_2a_a:N-Rb-Zn,60.0,"Invalid WP multiplicities - A12B2C_oP60_29_48a_6a_a:N-Rb-Zn, expected Rb6ZnN48 to be Rb2ZnN12" +mp-726974,Rb2ZnN4,-3.8478950546,1.3759322961,1.6974531108000002,1.6974531108000002,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:N-Rb-Zn,28.0,A4B2C_mP28_14_4e_2e_e:N-Rb-Zn +mp-1183254,Ag3S,-3.1791798863,-0.020650417,0.1499986833,0.1499986833,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-S,8.0,A3B_hP8_194_h_c:Ag-S +mp-676410,LuAgS2,-5.445596225,-1.5389946607,0.0144733994,0.0144733994,GGA,Ima2,ABC2_oI16_46_b_b_2b:Ag-Lu-S,8.0,ABC2_tI16_141_a_b_e:Ag-Lu-S +mp-1222295,LuAgS2,-5.3397850825,-1.4331835182,0.1202845419,0.1202845419,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Lu-S,4.0,ABC2_tP4_123_a_d_bc:Ag-Lu-S +mp-1173065,LuAgS2,-5.4472722188,-1.5406706545,0.0127974056,0.0127974056,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Lu-S,8.0,ABC2_tI16_141_a_b_e:Ag-Lu-S +mp-28963,Ag8S,-2.7846140878,0.1928190115,0.2686630561,0.2686630561,GGA,F-43m,A8B_cF36_216_2e_a:Ag-S,9.0,"Invalid WP multiplicities - A8B_cF36_216_5e_a:Ag-S, expected Ag20S to be Ag8S" +mp-32868,Ag2S,-3.4373862111,-0.1701989199,0.0573332139,-0.1518429937,GGA,P1,A2B_aP9_1_6a_3a:Ag-S,9.0,A2B_aP9_1_6a_3a:Ag-S +mp-32884,Ag2S,-3.4841118250000003,-0.2169245338,0.0106076,-0.1985686076,GGA,P-1,A2B_aP6_2_abi_i:Ag-S,6.0,A2B_mC12_12_adi_i:Ag-S +mp-560025,Ag2S,-3.4057995367,-0.1386122455,0.0889198883,-0.1202563192,GGA,P2_1,A2B_mP6_4_2a_a:Ag-S,6.0,"Invalid WP multiplicities - A2B_mP6_4_3a_a:Ag-S, expected Ag3S to be Ag2S" +mp-38511,Ag2S,-3.44798863,-0.1808013388,0.046730795,-0.1624454126,GGA,Pc,A2B_mP6_7_2a_a:Ag-S,6.0,"Invalid WP multiplicities - A2B_mP6_7_4a_a:Ag-S, expected Ag4S to be Ag2S" +mp-1393712,Ag2S,-3.4826118383,-0.2154245472,0.0121075867,-0.1970686209,GGA,Cm,A2B_mC12_8_4a_2a:Ag-S,6.0,A2B_mC12_8_4a_2a:Ag-S +mp-556225,Ag2S,-3.48180508,-0.2146177888,0.012914345,-0.1962618626,GGA,P2_1/m,A2B_mP6_11_ae_e:Ag-S,6.0,A2B_mP6_11_ae_e:Ag-S +mp-2025704,Ag2S,-3.494719425,-0.2275321338,0.0,-0.2091762076,GGA,P2_1/m,A2B_mP6_11_ac_e:Ag-S,6.0,A2B_mP6_11_ad_e:Ag-S +mp-610517,Ag2S,-3.4656935383,-0.1985062472,0.0290258867,-0.1801503209,GGA,P2_1/c,A2B_mP12_14_2e_e:Ag-S,12.0,"Invalid WP multiplicities - A2B_mP12_14_4e_e:Ag-S, expected Ag4S to be Ag2S" +mp-1102900,Ag2S,-3.4492247833,-0.1820374922,0.0454946417,-0.1636815659,GGA,P2_1/c,A2B_mP12_14_2e_e:Ag-S,12.0,A2B_mP12_14_2e_e:Ag-S +mp-1095694,Ag2S,-3.44122114,-0.1740338488,0.053498285,-0.1556779226,GGA,P2_12_12_1,A2B_oP12_19_2a_a:Ag-S,12.0,A2B_oP12_19_2a_a:Ag-S +mp-32669,Ag2S,-3.4848008117,-0.2176135205,0.0099186133,-0.1992575942,GGA,Cmc2_1,A2B_oC12_36_2a_a:Ag-S,6.0,A2B_oC12_36_2a_a:Ag-S +mp-36216,Ag2S,-3.4824587333,-0.2152714422,0.0122606917,-0.1969155159,GGA,Cmcm,A2B_oC12_63_ac_c:Ag-S,6.0,A2B_oC12_63_ac_c:Ag-S +mp-1537871,Ag2S,-3.49115535,-0.2239680588,0.003564075,-0.2056121326,GGA,Cmcm,A2B_oC12_63_ac_c:Ag-S,6.0,A2B_oC12_63_ac_c:Ag-S +mp-32791,Ag2S,-3.4006959733,-0.1335086822,0.0940234517,-0.1151527559,GGA,Cmce,A2B_oC12_64_f_a:Ag-S,6.0,A2B_oC12_64_f_a:Ag-S +mp-1229090,Ag2S,-3.4177922533,-0.1506049622,0.0769271717,-0.1322490359,GGA,Fm-3m,A2B_cF12_225_c_a:Ag-S,3.0,A2B_cF12_225_c_a:Ag-S +mp-1246681,GaMoN3,-7.9559627895,-0.179316608,0.3061566442,0.3061566442,GGA,P-1,ABC3_aP20_2_2i_2i_6i:Ga-Mo-N,20.0,ABC3_aP20_2_2i_2i_6i:Ga-Mo-N +mp-562100,NbS3,-6.7607375925,-1.1330739323,0.0170950983,-0.1211946045,GGA,P-1,AB3_aP16_2_2i_6i:Nb-S,16.0,"Invalid WP multiplicities - AB3_aP16_2_4i_9i:Nb-S, expected Nb4S9 to be NbS3" +mp-1190583,NbS3,-6.7778326908,-1.1501690307,0.0,-0.1382897029,GGA,P2_1/m,AB3_mP24_11_3e_9e:Nb-S,24.0,AB3_mP24_11_3e_9e:Nb-S +mp-2243,NbS,-8.254775125,-1.1358976716,0.0827920166,0.0827920166,GGA,P-6m2,AB_hP2_187_a_d:Nb-S,2.0,AB_hP2_187_a_d:Nb-S +mp-647,NbS,-8.2718374575,-1.1529600041,0.0657296841,0.0657296841,GGA,P6_3/mmc,AB_hP4_194_a_c:Nb-S,4.0,AB_hP4_194_a_c:Nb-S +mp-1220654,Nb5S8,-7.8347256636,-1.4041007301,0.0106229227,0.0106229227,GGA,P312,A5B8_hP39_149_a2g2h3i_4l:Nb-S,39.0,"Invalid WP multiplicities - A5B8_hP39_149_a3g4h5i_24l:Nb-S, expected Nb25S144 to be Nb5S8" +mp-1173629,Nb11S12,-7.6978633185,-0.7086566297,0.5613801963,0.5613801963,GGA,C2/c,A11B12_mC92_15_e5f_6f:Nb-S,46.0,"Invalid WP multiplicities - A11B12_mC92_15_2e17f_23f:Nb-S, expected Nb18S23 to be Nb11S12" +mp-684971,Nb11S12,-3.705052202,3.2841544868,4.5541913128,4.5541913128,GGA,R-3c,A11B12_hR138_167_cef_2f:Nb-S,46.0,"Invalid WP multiplicities - A11B12_hR138_167_3c6e7f_13f:Nb-S, expected Nb11S13 to be Nb11S12" +mp-32983,Nb3S5,-7.7939708841,-1.4207003273,0.0,-0.0253613602,GGA,P1,A3B5_aP32_1_12a_20a:Nb-S,32.0,A3B5_aP32_1_12a_20a:Nb-S +mp-1220657,Nb3S5,-7.7937412819,-1.4204707251,0.0002296022,-0.025131758,GGA,P1,A3B5_aP16_1_6a_10a:Nb-S,16.0,A3B5_aP16_1_6a_10a:Nb-S +mp-1220475,Nb7S8,-8.1480765027,-1.228027555,0.0693944112,0.0693944112,GGA,P3m1,A7B8_hP15_156_a2d_bc2d:Nb-S,15.0,A7B8_hP15_156_a2d_bc2d:Nb-S +mp-28868,Nb3(BiS3)2,-6.8932699682,-1.1838524608,0.0,-0.050042608,GGA,P6_3/mcm,A2B3C6_hP22_193_d_g_eh:Bi-Nb-S,22.0,A2B3C6_hP22_193_d_g_eh:Bi-Nb-S +mp-1220429,Nb6BiS8,-7.711974056,-1.2093128357,0.0855954293,0.0855954293,GGA,P-3,AB6C8_hP15_147_a_g_dg:Bi-Nb-S,15.0,AB6C8_hP15_147_a_g_dg:Bi-Nb-S +mp-1210578,NbS6,-4.30530738,0.6832646545000001,1.3405041006,1.3405041006,GGA,Cmmm,AB6_oC14_65_a_kp:Nb-S,7.0,AB6_oC14_65_a_kp:Nb-S +mp-1173504,NbS2,-7.43576449,-1.3110295654,0.0381428717,0.033377118,GGA,P1,AB2_aP9_1_3a_6a:Nb-S,9.0,AB2_aP9_1_3a_6a:Nb-S +mp-554074,NbS2,-7.4707715525,-1.3460366279,0.0031358092,-0.0016299445,GGA,Cmc2_1,AB2_oC24_36_2a_4a:Nb-S,12.0,"Invalid WP multiplicities - AB2_oC24_36_2a_7a:Nb-S, expected Nb2S7 to be NbS2" +mp-632475,NbS2,-7.1823674,-1.0576324754,0.2915399617,0.286774208,GGA,Amm2,AB2_oC6_38_a_ab:Nb-S,3.0,AB2_oC6_38_a_ab:Nb-S +mp-2648,NbS2,-7.4671349933,-1.3424000687,0.0067723683,0.0020066147,GGA,Fmm2,AB2_oF12_42_a_c:Nb-S,3.0,AB2_oF12_42_a_c:Nb-S +mp-555293,NbS2,-7.4657066367,-1.3409717121,0.008200725,0.0034349713,GGA,Fmm2,AB2_oF12_42_a_c:Nb-S,3.0,AB2_oF12_42_a_c:Nb-S +mp-1008860,NbS2,-7.2047877133,-1.0800527887,0.2691196483,0.2643538947,GGA,I4/mmm,AB2_tI6_139_a_e:Nb-S,3.0,AB2_tI6_139_a_e:Nb-S +mp-966,NbS2,-7.4730526567,-1.3483177321,0.000854705,-0.0039110487,GGA,R3m,AB2_hR9_160_a_2a:Nb-S,3.0,AB2_hR9_160_a_2a:Nb-S +mp-995122,NbS2,-7.4366632,-1.3119282754,0.0372441617,0.032478408,GGA,P-3m1,AB2_hP3_164_a_d:Nb-S,3.0,AB2_hP3_164_a_d:Nb-S +mp-1802,NbS2,-7.4372050867,-1.3124701621,0.036702275,0.0319365213,GGA,R-3m,AB2_hR9_166_a_c:Nb-S,3.0,AB2_hR9_166_a_c:Nb-S +mp-1874,NbS2,-7.4702684933,-1.3455335687,0.0036388683,-0.0011268853,GGA,P-6m2,AB2_hP3_187_a_h:Nb-S,3.0,AB2_hP3_187_a_h:Nb-S +mp-774873,NbS2,-7.4364866883,-1.3117517637,0.0374206733,0.0326549197,GGA,P6_3/mmc,AB2_hP6_194_a_f:Nb-S,6.0,AB2_hP6_194_a_f:Nb-S +mp-10033,NbS2,-7.4739073617,-1.3491724371,0.0,-0.0047657537,GGA,P6_3/mmc,AB2_hP6_194_b_f:Nb-S,6.0,AB2_hP6_194_b_f:Nb-S +mp-1072712,NbS2,-7.4707443217,-1.3460093971,0.00316304,-0.0016027137,GGA,P6_3/mmc,AB2_hP6_194_c_e:Nb-S,6.0,AB2_hP6_194_c_e:Nb-S +mp-1220631,Nb3S4,-8.0209919771,-1.3281756075,0.059226105,-0.0170250733,GGA,P-3m1,A3B4_hP7_164_ac_2d:Nb-S,7.0,A3B4_hP7_164_ac_2d:Nb-S +mp-12627,Nb3S4,-8.0802180821,-1.3874017125,0.0,-0.0762511783,GGA,P6_3/m,A3B4_hP14_176_h_ch:Nb-S,14.0,A3B4_hP14_176_h_ch:Nb-S +mp-31381,Nb21S8,-9.135980889,-0.6801531381,0.0091298528,0.0091298528,GGA,I4/m,A21B8_tI58_87_a5h_2h:Nb-S,29.0,"Invalid WP multiplicities - A21B8_tI58_87_a6h_2h:Nb-S, expected Nb25S8 to be Nb21S8" +mp-684620,Nb25S48,-7.5449014893,-1.3656930015,0.0,-0.0008432186,GGA,Cm,A25B48_mC146_8_5a10b_8a20b:Nb-S,73.0,"Invalid WP multiplicities - A25B48_mC146_8_5a17b_8a38b:Nb-S, expected Nb13S28 to be Nb25S48" +mp-683941,Nb14S5,-9.1908824438,-0.6592761336,0.0,-0.0104458374,GGA,Pnma,A14B5_oP76_62_14c_5c:Nb-S,76.0,"Invalid WP multiplicities - A14B5_oP76_62_55c_14c:Nb-S, expected Nb55S14 to be Nb14S5" +mp-5716,Ba(Mo3S4)2,-7.836687508,-1.1643892057,0.0,-0.0001287833,GGA,P-1,AB6C8_aP15_2_a_3i_4i:Ba-Mo-S,15.0,AB6C8_aP15_2_a_3i_4i:Ba-Mo-S +mp-3835,Ba(Mo3S4)2,-7.834363512,-1.1620652097,0.002323996,0.0021952127,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ba-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Ba-Mo-S +mp-556296,BaS3,-4.99106,-1.4089788648,0.02602457,-0.0938499033,GGA,P2_12_12,AB3_oP16_18_ab_3c:Ba-S,16.0,"Invalid WP multiplicities - AB3_oP16_18_ab_9c:Ba-S, expected BaS9 to be BaS3" +mp-239,BaS3,-5.01708457,-1.4350034348,0.0,-0.1198744733,GGA,P-42_1m,AB3_tP8_113_a_ce:Ba-S,8.0,"Invalid WP multiplicities - AB3_tP8_113_a_c2e:Ba-S, expected BaS5 to be BaS3" +mp-1500,BaS,-5.35775155,-2.3300391466,0.0,-0.7298260842000001,GGA,Fm-3m,AB_cF8_225_a_b:Ba-S,2.0,AB_cF8_225_a_b:Ba-S +mp-28978,Ba2S3,-5.169715571,-1.9202556749,0.063863153,0.063863153,GGA,I4_1md,A2B3_tI20_109_2a_ab:Ba-S,10.0,A2B3_tI20_109_2a_ab:Ba-S +mp-684,BaS2,-5.15079684,-1.7535052821,0.0,-0.02015661,GGA,C2/c,AB2_mC12_15_e_f:Ba-S,6.0,AB2_mC12_15_e_f:Ba-S +mp-532273,Ba2(Mo2S3)3,-7.5559634868,-1.3124399961,0.0,-0.0109155032,GGA,P6_3mc,A2B6C9_hP68_186_ac_4c_3b5c:Ba-Mo-S,68.0,"Invalid WP multiplicities - A2B6C9_hP68_186_a2c_23c_6b29c:Ba-Mo-S, expected Ba7(Mo23S31)3 to be Ba2(Mo2S3)3" +mp-38238,Ag2O,-3.7515569689,-0.2142900629,0.1086890094,0.0840761019,GGA,P1,A2B_aP9_1_6a_3a:Ag-O,9.0,A2B_aP9_1_6a_3a:Ag-O +mp-754338,Ag2O,-3.8274736592,-0.2902067532,0.0327723192,0.0081594117,GGA,Ibam,A2B_oI24_72_ade_j:Ag-O,12.0,"Invalid WP multiplicities - A2B_oI24_72_2a2d3e_j:Ag-O, expected Ag5O to be Ag2O" +mp-7711,Ag2O,-3.74095577,-0.203688864,0.1192902083,0.0946773008,GGA,P-3m1,A2B_hP3_164_d_a:Ag-O,3.0,A2B_hP3_164_d_a:Ag-O +mp-353,Ag2O,-3.8602459783,-0.3229790724,0.0,-0.0246129075,GGA,Pn-3m,A2B_cP6_224_b_a:Ag-O,6.0,A2B_cP6_224_b_a:Ag-O +mp-1214946,AgO2,-4.2525583775,-0.0105805689,0.3056813644,0.3056813644,GGA,I4_1/acd,AB2_tI24_142_a_f:Ag-O,12.0,AB2_tI24_142_a_f:Ag-O +mp-1214896,AgO2,-3.8549909733,0.3869868353,0.7032487686000001,0.7032487686000001,GGA,Pn-3m,AB2_cP6_224_a_b:Ag-O,6.0,AB2_cP6_224_a_b:Ag-O +mp-546190,Ag2O3,-4.4611763,-0.3601406719,0.0193736481,0.0193736481,GGA,Fdd2,A2B3_oF40_43_b_ab:Ag-O,10.0,"Invalid WP multiplicities - A2B3_oF40_43_b_2a2b:Ag-O, expected AgO3 to be Ag2O3" +mp-1046809,Ag2O3,-4.224337974,-0.1233023459,0.2562119741,0.2562119741,GGA,Cmcm,A2B3_oC40_63_2f_ac2f:Ag-O,20.0,A2B3_oC40_63_2f_ac2f:Ag-O +mp-11872,Ag2O3,-4.290940957,-0.1899053289,0.1896089911,0.1896089911,GGA,Pn-3m,A2B3_cP10_224_b_d:Ag-O,10.0,A2B3_cP10_224_b_d:Ag-O +mp-1079720,AgO,-4.29567299,-0.4060506327,0.039711895,-0.024521171,GGA,P2_1/c,AB_mP8_14_ad_e:Ag-O,8.0,AB_mP8_14_ad_e:Ag-O +mp-1065190,AgO,-4.332509465,-0.4428871077,0.00287542,-0.061357646,GGA,C2/c,AB_mC8_15_c_e:Ag-O,4.0,AB_mC8_15_a_e:Ag-O +mp-1066856,AgO,-4.3293018425,-0.4396794852,0.0060830425,-0.0581500235,GGA,C2/c,AB_mC8_15_c_e:Ag-O,4.0,AB_mC8_15_a_e:Ag-O +mp-499,AgO,-4.335384885,-0.4457625277,0.0,-0.064233066,GGA,Cccm,AB_oC8_66_e_a:Ag-O,4.0,AB_oC8_66_e_a:Ag-O +mp-1288,AgO,-4.2908406969,-0.4012183396,0.0445441881,-0.0196888779,GGA,I4_1/a,AB_tI32_88_cd_f:Ag-O,16.0,AB_tI32_88_cd_f:Ag-O +mp-8222,AgO,-4.02932765,-0.1397052927,0.306057235,0.241824169,GGA,F-43m,AB_cF8_216_a_c:Ag-O,2.0,AB_cF8_216_a_c:Ag-O +mp-27819,Ag3O,-3.5857571637,-0.2246679834,0.0175663208,0.0175663208,GGA,P-31m,A3B_hP8_162_k_c:Ag-O,8.0,A3B_hP8_162_k_c:Ag-O +mp-7094,ReAgO4,-7.554835523299999,-1.7108625178,0.0,-0.1093764678,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ag-O-Re,12.0,AB4C_tI24_88_a_f_b:Ag-O-Re +mp-1209150,ReAgO2,-6.7890191519,-0.4964039992,0.9278226544,0.9278226544,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ag-O-Re,16.0,AB2C_tI32_141_c_h_d:Ag-O-Re +mp-1605,Ag3O4,-4.4472543221,-0.4066224857,0.0,-0.0220184264,GGA,P2_1/c,A3B4_mP14_14_ae_2e:Ag-O,14.0,A3B4_mP14_14_ae_2e:Ag-O +mp-1197252,Tb2ZrS5,-7.0031146947,-2.1907794241,0.0,-0.0124800656,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-Tb-Zr,32.0,A5B2C_oP32_62_3cd_d_c:S-Tb-Zr +mp-1196300,Nd2ZrS5,-7.04793694,-2.2021563363,0.0,-0.0331004022,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Nd-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Nd-S-Zr +mp-22156,Hf2InC,-8.6828100575,-0.7091282369,0.0,-0.19285698,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Hf-In,8.0,AB2C_hP8_194_a_f_c:C-Hf-In +mp-1202195,Pr2ZrS5,-7.0496551247,-2.2006849404,0.0,-0.0350090291,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pr-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Pr-S-Zr +mp-19881,Dy3InC,-5.654029088,-0.4938871395,0.0,-0.14780861,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Dy-In,5.0,AB3C_cP5_221_b_c_a:C-Dy-In +mp-973756,Lu2Mo2C3,-8.7095459186,-0.3639462418,0.0,-0.0946525032,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Lu-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Lu-Mo +mp-1225588,DyErC4,-7.87637177,-0.1948438333,0.0661701546,0.0661701546,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Dy-Er,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Dy-Er, expected DyErC6 to be DyErC4" +mp-1207453,Zr4W,-8.357302575,1.072483975,1.116242454,1.116242454,GGA,Fd-3m,AB4_cF40_227_a_e:W-Zr,10.0,AB4_cF40_227_a_e:W-Zr +mp-1188207,Zr3W5,-10.8621775888,0.4420415412,0.5787867881000001,0.5787867881000001,GGA,I4/mcm,A5B3_tI32_140_bk_ah:W-Zr,16.0,A5B3_tI32_140_bk_ah:W-Zr +mp-1215268,ZrCrW,-10.4550355867,-0.06874281,0.0204038517,0.0204038517,GGA,Imma,ABC_oI12_74_a_c_e:Cr-W-Zr,6.0,ABC_oI12_74_a_c_e:Cr-W-Zr +mp-1215171,ZrW2,-11.3684732933,0.1195137367,0.2653753333,0.1195137367,GGA,Fmmm,A2B_oF12_69_g_a:W-Zr,3.0,A2B_oF12_69_g_a:W-Zr +mp-675,ZrW2,-11.6338486267,-0.1458615967,0.0,-0.1458615967,GGA,Fd-3m,A2B_cF24_227_c_b:W-Zr,6.0,A2B_cF24_227_c_b:W-Zr +mp-1206105,CaInI3,-3.243666941,-1.408190409,0.021310372,0.021310372,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Ca-I-In,10.0,AB3C_oC20_63_a_cf_c:Ca-I-In +mp-7693,BaTm2F8,-6.8103313091,-4.4319242612,0.0,-0.2979388327,GGA,C2/m,AB8C2_mC22_12_a_gij_h:Ba-F-Tm,11.0,"Invalid WP multiplicities - AB8C2_mC22_12_a_g2ij_h:Ba-F-Tm, expected BaTm2F10 to be BaTm2F8" +mp-2623,V4As3,-7.6512921021,-0.4637236029,0.0211166563,0.0211166563,GGA,C2/m,A3B4_mC28_12_3i_ac3i:As-V,14.0,A3B4_mC28_12_3i_ad3i:As-V +mp-540782,V4As3,-7.6638385643,-0.476270065,0.0085701941,0.0085701941,GGA,Cmcm,A3B4_oC56_63_2c2f_ac3f:As-V,28.0,A3B4_oC56_63_2c2f_ac3f:As-V +mp-505541,V5As3,-7.8539447947,-0.4293340991,0.0454854159,0.0454854159,GGA,Pnma,A3B5_oP32_62_cd_3cd:As-V,32.0,A3B5_oP32_62_cd_3cd:As-V +mp-7022,V5As3,-7.8560636706,-0.431452975,0.04336654,0.04336654,GGA,I4/mcm,A3B5_tI32_140_ah_bk:As-V,16.0,"Invalid WP multiplicities - A3B5_tI32_140_2a2h_2b3k:As-V, expected V7As3 to be V5As3" +mp-1216836,V20As11,-7.9357835613,-0.4219634369,0.0490848303,0.0490848303,GGA,C222,A11B20_oC62_21_abc2kl_5l:As-V,31.0,"Invalid WP multiplicities - A11B20_oC62_21_abc3kl_12l:As-V, expected V48As13 to be V20As11" +mp-540701,V3As2,-7.7885930405,-0.4746020365,0.0048938258,0.0048938258,GGA,P4/m,A2B3_tP20_83_jk_adejk:As-V,20.0,A2B3_tP20_83_jk_adejk:As-V +mp-292,V3As,-8.4291469325,-0.4514377787,0.0,-0.1541453573,GGA,Pm-3n,AB3_cP8_223_a_c:As-V,8.0,AB3_cP8_223_a_c:As-V +mp-19940,VAs,-7.3697134888,-0.4982012513,0.0,-0.0459099858,GGA,Pnma,AB_oP8_62_c_c:As-V,8.0,AB_oP8_62_c_c:As-V +mp-1072660,VAs2,-6.53038836,-0.3963407333,0.0,-0.0642065658,GGA,C2/m,A2B_mC12_12_2i_i:As-V,6.0,A2B_mC12_12_2i_i:As-V +mp-1100404,VAsRu,-7.7491511733,-0.0766755017,0.2702772358,0.2702772358,GGA,F-43m,ABC_cF12_216_a_b_c:As-Ru-V,3.0,ABC_cF12_216_a_b_c:As-Ru-V +mp-1211270,KYbBr3,-3.820592342,-2.3587738986,0.0,-0.022586696,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-K-Yb,,A3BC_oP20_62_cd_c_a:Br-K-Yb +mp-1206711,SmF2,-6.4552063067,-3.60802495,0.3442157672,0.3442157672,GGA,Fm-3m,A2B_cF12_225_c_a:F-Sm,3.0,A2B_cF12_225_c_a:F-Sm +mp-7384,SmF3,-7.0595265662,-4.4462708069,0.0,-1.7402520944000002,GGA,Pnma,A3B_oP16_62_cd_c:F-Sm,16.0,A3B_oP16_62_cd_c:F-Sm +mp-18690,SmF3,-6.8506705292,-4.2374147698,0.2088560371,-1.5313960573,GGA,P6_3/mcm,A3B_hP24_193_bck_g:F-Sm,24.0,A3B_hP24_193_bck_g:F-Sm +mp-685168,BeF2,-5.9586307075,-3.4378404408,0.1148172331,-1.8762727633,GGA,P2_1,AB2_mP48_4_8a_16a:Be-F,48.0,AB2_aP48_1_16a_32a:Be-F +mp-684652,BeF2,-5.85044275,-3.3296524833,0.2230051906,-1.7680848058,GGA,C2,AB2_mC18_5_ac_3c:Be-F,9.0,"Invalid WP multiplicities - AB2_mC18_5_a2c_6c:Be-F, expected Be5F12 to be BeF2" +mp-1350597,BeF2,-5.9586784617,-3.437888195,0.1147694789,-1.8763205175,GGA,P2_1/c,AB2_mP48_14_4e_8e:Be-F,48.0,"Invalid WP multiplicities - AB2_mP48_14_14e_31e:Be-F, expected Be14F31 to be BeF2" +mp-1097884,BeF2,-5.59254716,-3.0717568933,0.4809007806,-1.5101892158,GGA,Cmmm,AB2_oC6_65_a_h:Be-F,3.0,AB2_oC6_65_a_h:Be-F +mp-15951,BeF2,-6.0730512344,-3.5522609678,0.0003967061,-1.9906932903,GGA,P3_121,AB2_hP9_152_a_c:Be-F,9.0,AB2_hP9_152_a_c:Be-F +mp-559400,BeF2,-6.071020065,-3.5502297983,0.0024278756,-1.9886621208,GGA,R-3m,AB2_hR108_166_i_fg2h:Be-F,36.0,"Invalid WP multiplicities - AB2_hR108_166_i_5f6g12h:Be-F, expected Be2F23 to be BeF2" +mp-558118,BeF2,-6.0726250056,-3.5518347389,0.000822935,-1.9902670614,GGA,P6_222,AB2_hP9_180_c_j:Be-F,9.0,AB2_hP9_180_c_j:Be-F +mp-975644,BeF2,-3.5553025633,-1.0345122967,2.5181453772,0.5270553808,GGA,P6/mmm,AB2_hP3_191_a_d:Be-F,3.0,AB2_hP3_191_a_d:Be-F +mp-561543,BeF2,-6.0734479406,-3.5526576739,0.0,-1.9910899964,GGA,I-43m,AB2_cI36_217_d_g:Be-F,18.0,AB2_cI36_217_d_g:Be-F +mp-505432,SmBeF4,-6.18099968,-3.4970138683,0.3590079832,0.3590079832,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Be-F-Sm,24.0,AB4C_oP24_33_a_4a_a:Be-F-Sm +mp-1214240,BeF4,-4.15094696,-1.873881213,0.2577133913,0.2577133913,GGA,Pnma,AB4_oP20_62_c_2cd:Be-F,20.0,AB4_oP20_62_c_2cd:Be-F +mp-32958,Sm2F,-5.559936462,-1.7770527162,0.1990676424,0.1990676424,GGA,Cm,AB2_mC30_8_5a_10a:F-Sm,15.0,AB2_mC30_8_5a_10a:F-Sm +mp-1096932,Cu2GeI6,-2.2092919067,0.1975569039,0.7095203031,0.7095203031,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Cu-Ge-I,9.0,A2BC6_cF36_225_c_a_e:Cu-Ge-I +mp-685100,Cu14I19,-2.9045044142,-0.3171452012,0.0157902843,0.0157902843,GGA,Cm,A14B19_mC66_8_14a_19a:Cu-I,33.0,A14B19_mC66_8_14a_19a:Cu-I +mp-685158,Cu16I19,-3.0325000189,-0.3587495226,5.4496e-06,5.4496e-06,GGA,Cm,A16B19_mC70_8_16a_19a:Cu-I,35.0,A16B19_mC70_8_16a_19a:Cu-I +mp-673245,CuI,-3.1462717012,-0.3599851912,0.0084110013,-0.0199153739,GGA,Pc,AB_mP8_7_2a_2a:Cu-I,8.0,AB_mP8_7_2a_2a:Cu-I +mp-1007922,CuI,-3.101810585,-0.315524075,0.0528721175,0.0245457423,GGA,Cmcm,AB_oC8_63_c_c:Cu-I,4.0,AB_oC8_63_c_c:Cu-I +mp-22863,CuI,-3.142023485,-0.355736975,0.0126592175,-0.0156671577,GGA,P4/nmm,AB_tP4_129_a_c:Cu-I,4.0,AB_tP4_129_a_c:Cu-I +mp-570136,CuI,-3.1546827025,-0.3683961925,0.0,-0.0283263752,GGA,P3m1,AB_hP12_156_2a3bc_2a3bc:Cu-I,12.0,AB_hP12_156_2a3bc_2a3bc:Cu-I +mp-32750,CuI,-3.1408946362,-0.3546081262,0.0137880663,-0.0145383089,GGA,R3m,AB_hR24_160_4a_4a:Cu-I,8.0,AB_hR24_160_4a_4a:Cu-I +mp-570081,CuI,-3.153565885,-0.367279375,0.0011168175,-0.0272095577,GGA,P-3m1,AB_hP4_164_d_d:Cu-I,4.0,AB_hP4_164_d_d:Cu-I +mp-23306,CuI,-2.898661135,-0.112374625,0.2560215675,0.2276951923,GGA,R-3m,AB_hR12_166_c_ab:Cu-I,4.0,AB_hR12_166_c_ab:Cu-I +mp-569346,CuI,-3.1455671075,-0.3592805975,0.009115595,-0.0192107802,GGA,P6_3mc,AB_hP4_186_b_b:Cu-I,4.0,AB_hP4_186_b_b:Cu-I +mp-22895,CuI,-3.14794562,-0.36165911,0.0067370825,-0.0215892927,GGA,F-43m,AB_cF8_216_a_c:Cu-I,2.0,AB_cF8_216_a_c:Cu-I +mp-1096937,CuI,-2.9165806,-0.13029409,0.2381021025,0.2097757273,GGA,Fm-3m,AB_cF8_225_a_b:Cu-I,2.0,AB_cF8_225_a_b:Cu-I +mp-1147667,CuI2,-2.5433787767,-0.19473232,0.0668598472,0.0668598472,GGA,P4/mmm,AB2_tP3_123_a_f:Cu-I,3.0,AB2_tP3_123_a_f:Cu-I +mp-1213016,CuI2,-2.5380662533,-0.1894197967,0.0721723705,0.0721723705,GGA,P4/mmm,AB2_tP3_123_a_g:Cu-I,3.0,AB2_tP3_123_a_g:Cu-I +mp-684621,Cu13I15,-3.0568670171,-0.3643605186,0.0,-0.0040032177,GGA,Cm,A13B15_mC56_8_13a_15a:Cu-I,28.0,A13B15_mC56_8_13a_15a:Cu-I +mp-1096949,CuGeI3,-2.898231252,-0.269764537,0.254386665,0.254386665,GGA,Cm,ABC3_mC10_8_a_a_ab:Cu-Ge-I,5.0,ABC3_mC10_8_a_a_ab:Cu-Ge-I +mp-1096939,CuGeI3,-2.695035615,-0.0665689,0.457582302,0.457582302,GGA,I4/mcm,ABC3_tI20_140_b_c_ah:Cu-Ge-I,10.0,ABC3_tI20_140_b_c_ah:Cu-Ge-I +mp-1245861,MnReN2,-9.7810536556,-0.2111705739,0.0950513427,0.0950513427,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Re,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Re +mp-23021,K2ReBr6,-4.0617170111,-1.3968842268,0.0,-0.1914220254,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Re,9.0,A6B2C_cF36_225_e_c_a:Br-K-Re +mp-1185114,K3Re,-2.4420391575,1.5018918490000002,1.5018918490000002,1.5018918490000002,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Re,4.0,A3B_tI8_139_ad_b:K-Re +mp-1066388,K3Re,-2.4411478075,1.502783199,1.502783199,1.502783199,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Re,4.0,A3B_cF16_225_ac_b:K-Re +mp-1080778,K2Re,-2.8955265322,1.9929151608,1.9929151608,1.9929151608,GGA,P-62m,A2B_hP9_189_fg_ad:K-Re,9.0,A2B_hP9_189_fg_ad:K-Re +mp-1181016,K2Re,-3.3098037878,1.5786379052,1.5786379052,1.5786379052,GGA,P-62m,A2B_hP9_189_fg_ad:K-Re,9.0,A2B_hP9_189_fg_ad:K-Re +mp-961674,VGePt,-6.7218834133000005,-0.1291943317,0.3270285683,0.3270285683,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Pt-V,3.0,ABC_cF12_216_a_b_c:Ge-Pt-V +mp-1245950,Mn2IrN3,-8.8404322667,-0.1451073435,0.1736763142,0.1736763142,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ir-Mn-N,12.0,AB2C3_oC24_36_a_b_ab:Ir-Mn-N +mp-1247062,MnIrN2,-8.6487011281,0.0196587024,0.2587464456,0.2587464456,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ir-Mn-N,16.0,ABC2_oP16_33_a_a_2a:Ir-Mn-N +mp-22502,Mn3IrN,-9.150899644,-0.2187046478,0.086424367,0.086424367,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ir-Mn-N,5.0,AB3C_cP5_221_a_c_b:Ir-Mn-N +mp-1246345,Mn4IrN4,-8.947144379400001,-0.1879804852,0.2370643917,0.2370643917,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ir-Mn-N,18.0,AB4C4_aP18_2_i_4i_4i:Ir-Mn-N +mp-1245473,Mn9Ir2N9,-8.878077755,-0.1199047393,0.3104531985,0.3104531985,GGA,P2_1/c,A2B9C9_mP80_14_2e_9e_9e:Ir-Mn-N,80.0,A2B9C9_mP80_14_2e_9e_9e:Ir-Mn-N +mp-1078547,YSnPt2,-6.6533006088,-0.9987232067,0.0,-0.0440111583,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Pt-Sn-Y,8.0,A2BC_hP8_194_f_a_c:Pt-Sn-Y +mp-1206037,YSnPt2,-6.4759926188,-0.8214152167000001,0.17730799,0.1332968317,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Pt-Sn-Y,8.0,A2BC_hP8_194_f_c_a:Pt-Sn-Y +mp-22275,YSnPt,-6.5884046408,-1.0726792114,0.0,-0.1462551853,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Sn-Y,12.0,ABC_oP12_62_c_c_c:Pt-Sn-Y +mp-21526,KPb,-2.64267272,-0.2311497115,0.0,-0.1005146664,GGA,I4_1/acd,AB_tI64_142_ef_g:K-Pb,32.0,AB_tI64_142_ef_g:K-Pb +mp-21613,K5Pb24,-3.3533052017,-0.0893216012,0.0007715334,0.0007715334,GGA,I-43m,A5B24_cI58_217_ac_2g:K-Pb,29.0,"Invalid WP multiplicities - A5B24_cI58_217_ac_3g:K-Pb, expected K5Pb36 to be K5Pb24" +mp-1223510,KBiPb,-3.19508099,-0.307235941,0.0,-0.0370300963,GGA,Imm2,ABC_oI12_44_c_ab_d:Bi-K-Pb,6.0,ABC_oI12_44_c_ab_d:Bi-K-Pb +mp-680443,K4Pb9,-3.065240041,-0.1532847011,0.0074968929,0.0074968929,GGA,P2_1/m,A4B9_mP52_11_2e3f_6e6f:K-Pb,52.0,"Invalid WP multiplicities - A4B9_mP52_11_4e8f_11e22f:K-Pb, expected K4Pb11 to be K4Pb9" +mp-21170,KPb2,-3.0194110892,-0.1741800602,0.0,-0.0105133577,GGA,P6_3/mmc,AB2_hP12_194_f_ah:K-Pb,12.0,AB2_hP12_194_f_ah:K-Pb +mp-1185202,KPb3,-3.1238338925,-0.0617488532,0.0688861919,0.0688861919,GGA,Pm-3m,AB3_cP4_221_a_c:K-Pb,4.0,AB3_cP4_221_a_c:K-Pb +mp-973157,Ge3P,-4.3808197988,0.4397767192,0.4397767192,0.4397767192,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ge-P,8.0,A3B_hP8_194_h_c:Ge-P +mp-7542,GeP3,-5.1865125538,0.02922129,0.02922129,0.02922129,GGA,R-3m,AB3_hR24_166_c_h:Ge-P,8.0,AB3_hR24_166_c_h:Ge-P +mp-1212495,GeP2,-5.0616200367,0.0882575861,0.0882575861,0.0882575861,GGA,Pa-3,AB2_cP12_205_a_c:Ge-P,12.0,AB2_cP12_205_a_c:Ge-P +mp-1095275,GeP,-5.0141941917,0.0039709892,0.0039709892,0.0039709892,GGA,C2/m,AB_mC24_12_3i_3i:Ge-P,12.0,AB_mC24_12_3i_3i:Ge-P +mp-7590,GeP,-4.951606425,0.0665587558,0.0665587558,0.0665587558,GGA,I4mm,AB_tI4_107_a_a:Ge-P,2.0,AB_tI4_107_a_a:Ge-P +mp-8373,GeP,-4.75230311,0.2658620708,0.2658620708,0.2658620708,GGA,F-43m,AB_cF8_216_a_c:Ge-P,2.0,AB_cF8_216_a_c:Ge-P +mp-1013527,BeGeP2,-5.0659702038,-0.2687087704,0.0,-0.0280859616,GGA,I-42d,ABC2_tI16_122_a_b_d:Be-Ge-P,8.0,ABC2_tI16_122_a_b_d:Be-Ge-P +mp-1227021,Ce3UAl8,-5.2931365575,-0.3718628812,0.0260343152,0.0260343152,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Al-Ce-U,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Al-Ce-U, expected Ce3UAl20 to be Ce3UAl8" +mp-1226646,CeU3Al8,-6.0359089175,-0.2215817654,0.0437487106,0.0437487106,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Al-Ce-U,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Al-Ce-U, expected CeU3Al20 to be CeU3Al8" +mp-1195923,DyCo3P2,-7.0651157375,-0.9387248644,0.0,-0.0215688075,GGA,Pmmn,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Dy-P,36.0,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Dy-P +mp-1204813,DyCo5P3,-7.1090790183,-0.8437142033,0.0,-0.0087660181,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Dy-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Dy-P +mp-1225778,Dy5Co19P12,-7.0868735114,-0.8909956674,0.0002238665,0.0002238665,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Dy-P,36.0,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Dy-P +mp-1191588,Dy2Co12P7,-7.1079927081,-0.8029210525,0.0,-0.0049753768,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Dy-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Dy-P +mp-1183170,AlBi3,-3.6219906825,0.1947701225,0.1947701225,0.1947701225,GGA,Pm-3m,AB3_cP4_221_a_c:Al-Bi,4.0,AB3_cP4_221_a_c:Al-Bi +mp-1047502,AlBi3F15,-4.9093356016000005,-2.5967446683,0.1120031958,0.1120031958,GGA,P2_1/m,AB3C15_mP38_11_e_af_3e6f:Al-Bi-F,38.0,"Invalid WP multiplicities - AB3C15_mP38_11_e_2a2f_6e24f:Al-Bi-F, expected AlBi6F54 to be AlBi3F15" +mp-1018132,AlBi,-3.72686179,0.06617069,0.06617069,0.06617069,GGA,F-43m,AB_cF8_216_a_c:Al-Bi,2.0,AB_cF8_216_a_c:Al-Bi +mp-1104140,Tm(Ni2P)2,-6.3260766057,-0.8370784405,0.0,-0.0573365242,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-Tm,14.0,A4B2C_tP14_136_i_f_a:Ni-P-Tm +mp-1102558,TmNiP,-6.4417357392,-1.2186442025,0.0,-0.090958399,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ni-P-Tm,12.0,ABC_hP12_194_f_f_ab:Ni-P-Tm +mp-541971,Tm2Ni12P7,-6.304712841,-0.7710733860000001,0.0,-0.0471131151,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Tm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Tm +mp-570100,Tm(NiP)2,-6.372777968,-1.0002352087,0.0,-0.0266858396,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Tm,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Tm +mp-10139,Sc3SnB,-6.545796724,-0.6085225358,0.0077539575,0.0077539575,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Sc-Sn,5.0,AB3C_cP5_221_b_c_a:B-Sc-Sn +mp-631518,ZrBTe,-5.50368628,0.6197798181,1.694497985,1.694497985,GGA,F-43m,ABC_cF12_216_a_b_c:B-Te-Zr,3.0,ABC_cF12_216_a_b_c:B-Te-Zr +mp-22785,SmMnB4,-7.3362784954,-0.569917077,0.0,-0.0252557554,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Sm,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Sm +mp-29407,AlTeI7,-2.6312906928,-0.7199077846,0.0,-0.0197863533,GGA,Pc,AB7C_mP18_7_a_7a_a:Al-I-Te,18.0,"Invalid WP multiplicities - AB7C_mP18_7_a_10a_a:Al-I-Te, expected AlTeI10 to be AlTeI7" +mp-28693,Al3Te3I,-3.7007366443,-0.5378778557,0.1545155874,0.1545155874,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Al-I-Te,28.0,A3BC3_oP28_62_3c_c_3c:Al-I-Te +mp-1017557,Dy3AlN,-6.170501562,-0.990015307,0.0,-0.066345049,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Dy-N,5.0,AB3C_cP5_221_a_c_b:Al-Dy-N +mp-1195954,Ho2HfS5,-7.1581187038,-2.1825866907,0.0160137373,0.0160137373,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Hf-Ho-S,32.0,AB2C5_oP32_62_c_d_3cd:Hf-Ho-S +mp-1187407,TeS3,-3.70704179,0.1811220835,0.1811220835,0.1811220835,GGA,P6_3/mmc,A3B_hP8_194_h_c:S-Te,8.0,A3B_hP8_194_h_c:S-Te +mp-558731,Li2TeS3,-4.158398575,-0.9299817038,0.0,-0.1780970855,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Li-S-Te,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2e_6e_e:Li-S-Te, expected Li2TeS6 to be Li2TeS3" +mp-1223955,Hg2TeS,-2.3066592125,-0.3348800899,0.0443548125,0.0443548125,GGA,R3m,A2BC_hR12_160_2a_a_a:Hg-S-Te,4.0,A2BC_hR12_160_2a_a_a:Hg-S-Te +mp-1246326,Ti2SeN2,-8.702096582,-1.5101195098,0.0559864475,0.0559864475,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Se-Ti,5.0,A2BC2_hP5_164_d_a_d:N-Se-Ti +mp-38901,Nd2SmS4,-6.6996340307,-2.2995368211,0.0393790854,0.0393790854,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-S-Sm,14.0,A2B4C_tI28_122_d_e_a:Nd-S-Sm +mp-15227,NdPd3S4,-5.7674450488,-1.1607460075,0.0,-0.0400809115,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:Nd-Pd-S,16.0,AB3C4_cP16_223_a_c_e:Nd-Pd-S +mp-1220444,Nb6CdS8,-7.572508514,-1.2643539183,0.0305543467,0.0305543467,GGA,P-3,AB6C8_hP15_147_a_g_dg:Cd-Nb-S,15.0,AB6C8_hP15_147_a_g_dg:Cd-Nb-S +mp-1016643,Mg6MoC,-2.9679648194,0.7415346684,0.7723567561,0.7723567561,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Mo, expected Mg12MoC to be Mg6MoC" +mp-1016666,Mg6MoC,-3.4118777581,0.2976217297,0.3284438173,0.3284438173,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Mo, expected Mg12MoC to be Mg6MoC" +mp-1026590,Mg14MoC,-2.4002008094,0.2546889595,0.2765794373,0.2765794373,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Mo, expected Mg18MoC to be Mg14MoC" +mp-1026479,Mg14MoC,-2.3043879194,0.3505018495,0.3723923273,0.3723923273,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Mo, expected Mg26MoC to be Mg14MoC" +mp-1246341,In2GaN3,-5.5722946383,0.0178634046,0.2893684775,0.2893684775,GGA,Ccce,AB2C3_oC48_68_h_i_ei:Ga-In-N,24.0,"Invalid WP multiplicities - AB2C3_oC48_68_h_i_2ei:Ga-In-N, expected In2GaN4 to be In2GaN3" +mp-1245786,In3(GaN2)2,-5.2701618864,0.0250851064,0.3520477925,0.3520477925,GGA,Pnna,A2B3C4_oP36_52_cd_ce_2e:Ga-In-N,36.0,A2B3C4_oP36_52_cd_ce_2e:Ga-In-N +mp-1223660,InGaN2,-5.9038326075,-0.2906402069,0.077192815,0.077192815,GGA,P3m1,ABC2_hP4_156_a_b_ab:Ga-In-N,4.0,ABC2_hP4_156_a_b_ab:Ga-In-N +mp-1224009,In3GaN4,-5.7458223188,-0.1671814547,0.0561596438,0.0561596438,GGA,P3m1,AB3C4_hP8_156_a_a2b_2a2b:Ga-In-N,8.0,AB3C4_hP8_156_a_a2b_2a2b:Ga-In-N +mp-1120750,In3GaN4,-5.7804009494,-0.2017600853,0.0215810131,0.0215810131,GGA,P6_3mc,AB3C4_hP16_186_b_c_bc:Ga-In-N,16.0,"Invalid WP multiplicities - AB3C4_hP16_186_b_c_b2c:Ga-In-N, expected In3GaN7 to be In3GaN4" +mp-1246740,In3Ga3N5,-5.3914707059,-0.025851262,0.3610849118,0.3610849118,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ga-In-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ga-In-N +mp-1246567,InGa2N3,-6.0869778767,-0.4507511183,0.0134098525,0.0134098525,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ga-In-N,12.0,A2BC3_oC24_36_b_a_ab:Ga-In-N +mp-1223879,InGa3N4,-6.1003727275,-0.4526287903,0.059696155,0.059696155,GGA,P3m1,A3BC4_hP8_156_a2b_a_2a2b:Ga-In-N,8.0,A3BC4_hP8_156_a2b_a_2a2b:Ga-In-N +mp-1096392,HfVAu2,-3.9384981775,2.4587165975,2.8792494250000003,2.8792494250000003,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Hf-V,4.0,A2BC_oI8_71_e_a_b:Au-Hf-V +mp-1186557,PmErO3,-8.14394997,-3.3122845168,0.6350763568000001,0.6350763568000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Er-O-Pm,5.0,AB3C_cP5_221_b_c_a:Er-O-Pm +mp-1246266,Sn(PbN)4,-5.4534891572,0.3471930467,0.3471930467,0.3471930467,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Pb-Sn,18.0,A4B4C_aP18_2_4i_4i_i:N-Pb-Sn +mp-1246924,SnPbN2,-5.7935433362,0.3052588575,0.3052588575,0.3052588575,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Pb-Sn,8.0,A2BC_tP8_129_ac_c_c:N-Pb-Sn +mp-1245333,SnPb7N6,-5.3130855145,0.4024195495,0.4024195495,0.4024195495,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Pb-Sn,56.0,A6B7C_oP56_60_3d_c3d_c:N-Pb-Sn +mp-1246865,Sn(PbN)2,-5.258235354,0.363335815,0.363335815,0.363335815,GGA,Cmme,A2B2C_oC20_67_m_m_g:N-Pb-Sn,10.0,A2B2C_oC20_67_m_m_g:N-Pb-Sn +mp-1245730,Sn2Pb5N6,-5.5358530208,0.3565584108,0.3565584108,0.3565584108,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Sn,26.0,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Sn +mp-1186437,Pd3W,-7.163298865,-0.03885495,0.0,-0.0115355306,GGA,I4/mmm,A3B_tI8_139_ad_b:Pd-W,4.0,A3B_tI8_139_ad_b:Pd-W +mp-1219935,PdW,-8.932781545000001,0.136224475,0.162127775,0.162127775,GGA,R-3m,AB_hR6_166_a_b:Pd-W,2.0,AB_hR6_166_a_b:Pd-W +mp-1219940,Pd4W,-6.764672208,-0.029140714,0.001943246,0.001943246,GGA,R-3m,A4B_hR15_166_2c_a:Pd-W,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Pd-W, expected Pd6W to be Pd4W" +mp-631333,LiPdW2,-7.47550819,0.7757580942000001,0.994611715,0.994611715,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pd-W,4.0,ABC2_cF16_225_a_b_c:Li-Pd-W +mp-22496,Nd3TlN,-3.730637422,1.2700786518,2.0541159628,2.0541159628,GGA,Pm-3m,AB3C_cP5_221_a_c_b:N-Nd-Tl,5.0,AB3C_cP5_221_a_c_b:N-Nd-Tl +mp-1186379,NdYIn2,-4.6744538425,-0.489957341,0.0008166725,0.0008166725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Nd-Y,4.0,A2BC_cF16_225_c_a_b:In-Nd-Y +mp-1046095,Ni5O7,-6.1201492829,-0.8261905847000001,0.1921899236,0.1921899236,GGA+U,Cmcm,A5B7_oC48_63_a2f_c3f:Ni-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Ni-O, expected NiO to be Ni5O7" +mp-1042045,NiO2,-5.552864635,-0.3283599342,0.4863444725,0.4863444725,GGA+U,Cm,AB2_mC96_8_8a4b_16a8b:Ni-O,48.0,"Invalid WP multiplicities - AB2_mC96_8_8a7b_16a16b:Ni-O, expected Ni11O24 to be NiO2" +mp-1369444,NiO2,-5.8268302954,-0.6023255946,0.2123788121,0.2123788121,GGA+U,Pnma,AB2_oP24_62_2c_4c:Ni-O,24.0,"Invalid WP multiplicities - AB2_oP24_62_2c_13c:Ni-O, expected Ni2O13 to be NiO2" +mp-1047762,NiO2,-5.6986394242,-0.4741347233,0.3405696833,0.3405696833,GGA+U,Cmcm,AB2_oC24_63_f_acf:Ni-O,12.0,AB2_oC24_63_f_acf:Ni-O +mp-25206,NiO2,-5.45837671,-0.2338720092,0.5808323975,0.5808323975,GGA+U,Immm,AB2_oI6_71_a_f:Ni-O,3.0,AB2_oI6_71_a_f:Ni-O +mp-634706,NiO2,-5.4985946667,-0.2740899658,0.5406144408,0.5406144408,GGA+U,Immm,AB2_oI6_71_a_f:Ni-O,3.0,AB2_oI6_71_a_f:Ni-O +mp-1042019,NiO2,-5.5797981608,-0.35529346,0.4594109467,0.4594109467,GGA+U,Imma,AB2_oI24_74_ae_hi:Ni-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_ae_3h2i:Ni-O, expected NiO5 to be NiO2" +mp-1385278,NiO2,-5.8417376133,-0.6172329125,0.1974714942,0.1974714942,GGA+U,I4/m,AB2_tI24_87_h_2h:Ni-O,12.0,AB2_tI24_87_h_2h:Ni-O +mp-1354141,NiO2,-5.8368448225,-0.6123401217000001,0.202364285,0.202364285,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Ni-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c15d:Ni-O, expected Ni8O17 to be NiO2" +mp-1041256,NiO2,-5.7862264933,-0.5617217925,0.2529826142,0.2529826142,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Ni-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c13d:Ni-O, expected Ni8O15 to be NiO2" +mp-1407373,NiO2,-5.7136248475,-0.4891201467,0.32558426,0.32558426,GGA+U,R3m,AB2_hR36_160_ab_2a2b:Ni-O,12.0,AB2_hR36_160_ab_2a2b:Ni-O +mp-510753,NiO2,-5.90604467,-0.6815399692,0.1331644375,0.1331644375,GGA+U,P-3m1,AB2_hP3_164_a_d:Ni-O,3.0,AB2_hP3_164_a_d:Ni-O +mp-35925,NiO2,-5.91291168,-0.6884069792,0.1262974275,0.1262974275,GGA+U,R-3m,AB2_hR9_166_a_c:Ni-O,3.0,AB2_hR9_166_a_c:Ni-O +mp-25210,NiO2,-5.9096646533,-0.6851599525000001,0.1295444542,0.1295444542,GGA+U,R-3m,AB2_hR9_166_a_c:Ni-O,3.0,AB2_hR9_166_a_c:Ni-O +mp-1041980,NiO2,-5.887233045,-0.6627283442,0.1519760625,0.1519760625,GGA+U,P6_3/mmc,AB2_hP6_194_a_f:Ni-O,6.0,AB2_hP6_194_a_f:Ni-O +mp-25428,NiO2,-5.8993038342,-0.6747991333000001,0.1399052733,0.1399052733,GGA+U,Fd-3m,AB2_cF48_227_c_e:Ni-O,12.0,AB2_cF48_227_c_e:Ni-O +mp-1045896,Ni9O13,-6.0990963023,-0.8114516038,0.1884128953,0.1884128953,GGA+U,C2/m,A9B13_mC44_12_a4i_d6i:Ni-O,22.0,A9B13_mC44_12_a4i_c6i:Ni-O +mp-1220143,Ni2O3,-5.866685295,-0.5866173962,0.3910278918,0.3910278918,GGA+U,Cc,A2B3_mC20_9_2a_3a:Ni-O,10.0,A2B3_mC20_9_4a_6a:Ni-O +mp-1043875,Ni2O3,-6.043990028,-0.7639221293,0.2137231588,0.2137231588,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Ni-O,20.0,A2B3_oC40_63_2f_ac2f:Ni-O +mp-766450,Ni6O7,-6.4107562662,-1.0793992616,0.0471136877,0.0471136877,GGA+U,P-1,A6B7_aP26_2_ac5i_7i:Ni-O,26.0,"Invalid WP multiplicities - A6B7_aP26_2_ac9i_13i:Ni-O, expected Ni10O13 to be Ni6O7" +mp-1209929,NiO3,-4.7156399,0.4394108034,1.0504391084,1.0504391084,GGA+U,Cmmm,AB3_oC8_65_a_de:Ni-O,4.0,AB3_oC8_65_a_de:Ni-O +mp-656884,Ni9O10,-6.4504589032,-1.1089790488,0.0466523734,0.0466523734,GGA+U,P-1,A9B10_aP19_2_a4i_5i:Ni-O,19.0,"Invalid WP multiplicities - A9B10_aP19_2_a8i_8i:Ni-O, expected Ni17O16 to be Ni9O10" +mp-1094096,Ni4O3,-6.0365707014,-0.613626008,0.430992375,0.430992375,GGA+U,Pm-3m,A4B3_cP7_221_ac_d:Ni-O,7.0,"Invalid WP multiplicities - A4B3_cP7_221_a2c_d:Ni-O, expected Ni7O3 to be Ni4O3" +mp-1094082,Ni4O,-4.710971344,0.9024757423,1.389964321,1.389964321,GGA+U,Pm-3m,A4B_cP5_221_ac_b:Ni-O,5.0,A4B_cP5_221_ac_b:Ni-O +mp-1094139,Ni2O5,-5.3706248979,-0.1858081955,0.5125098673,0.5125098673,GGA+U,C2/c,A2B5_mC28_15_f_e2f:Ni-O,14.0,A2B5_mC28_15_f_e2f:Ni-O +mp-754806,Ni5O6,-6.3945617855,-1.0690330884,0.0407146795,0.0407146795,GGA+U,C2/m,A5B6_mC22_12_agh_ij:Ni-O,11.0,"Invalid WP multiplicities - A5B6_mC22_12_a2gh_2i3j:Ni-O, expected Ni7O16 to be Ni5O6" +mp-33255,Ni15O16,-6.4300309016,-1.0800609152,0.0999924521,0.0999924521,GGA+U,R-3m,A15B16_hR93_166_ab2cdh_2c2h:Ni-O,31.0,"Invalid WP multiplicities - A15B16_hR93_166_ab3c3d4h_4c10h:Ni-O, expected Ni41O68 to be Ni15O16" +mp-1100319,Ni15O16,-6.5032090039,-1.1532390174,0.0268143498,0.0268143498,GGA+U,R-3m,A15B16_hR93_166_acdeh_2c2h:Ni-O,31.0,"Invalid WP multiplicities - A15B16_hR93_166_a2c3d2e4h_4c8h:Ni-O, expected Ni11O14 to be Ni15O16" +mp-705519,Ni15O16,-6.4918010206,-1.1418310342,0.0382223331,0.0382223331,GGA+U,Im-3m,A15B16_cI62_229_bh_cde:Ni-O,31.0,"Invalid WP multiplicities - A15B16_cI62_229_3b4h_4c3d4e:Ni-O, expected Ni57O58 to be Ni15O16" +mp-1180047,NiO,-5.26834158,0.0950711156,1.3137925625,1.2122714138,GGA+U,P6/mmm,AB_hP2_191_a_b:Ni-O,2.0,AB_hP2_191_a_b:Ni-O +mp-19009,NiO,-6.5821341425,-1.2187214469,0.0,-0.1015211488,GGA+U,Fm-3m,AB_cF8_225_a_b:Ni-O,4.0,AB_cF8_225_a_b:Ni-O +mp-1220184,Ni5O11,-5.76528808,-0.5581468785,0.2056385027,0.2056385027,GGA+U,P-1,A5B11_aP16_2_a2i_c5i:Ni-O,16.0,"Invalid WP multiplicities - A5B11_aP16_2_a4i_c10i:Ni-O, expected Ni3O7 to be Ni5O11" +mp-1183139,AcNiO3,-7.404515516,-2.4562399518,0.0,-0.0982014746,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Ni-O,5.0,ABC3_cP5_221_a_b_c:Ac-Ni-O +mp-754800,Ni3O4,-6.3101510736,-1.0062703757,0.0412067186,0.0383480073,GGA+U,C2/m,A3B4_mC28_12_ad2i_4i:Ni-O,14.0,"Invalid WP multiplicities - A3B4_mC28_12_ac4i_7i:Ni-O, expected Ni5O7 to be Ni3O4" +mp-656887,Ni3O4,-6.3513577921,-1.0474770943,0.0,-0.0028587112,GGA+U,Cmmm,A3B4_oC14_65_af_gj:Ni-O,14.0,"Invalid WP multiplicities - A3B4_oC14_65_2a2f_gj:Ni-O, expected Ni3O2 to be Ni3O4" +mp-1220234,Ni5O4,-6.1423016744,-0.7325863139000001,0.3507216389,0.3507216389,GGA+U,I4/m,A5B4_tI18_87_ah_h:Ni-O,9.0,"Invalid WP multiplicities - A5B4_tI18_87_a2h_h:Ni-O, expected Ni9O4 to be Ni5O4" +mp-1094094,Ni5O4,-5.68410674,-0.2743913794,0.8089165733,0.8089165733,GGA+U,P-43m,A5B4_cP9_215_ae_e:Ni-O,9.0,A5B4_cP9_215_ae_e:Ni-O +mp-1206637,LiVSe2,-5.613852995,-1.117690022,0.0412795703,0.0412795703,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-Se-V,4.0,AB2C_hP4_164_a_d_b:Li-Se-V +mp-978263,MgU,-6.182053495,0.263791535,0.263791535,0.263791535,GGA,Pmma,AB_oP4_51_e_f:Mg-U,4.0,AB_oP4_51_e_f:Mg-U +mp-1185815,Mg3U,-3.5637778,0.45928474,0.45928474,0.45928474,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-U,4.0,A3B_cF16_225_ac_b:Mg-U +mp-1185623,MgURu2,-8.0674104825,-0.2072866975,0.0160173568,0.0160173568,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-U,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-U +mp-1205361,Te6RhI3,-3.4250562,-0.360631972,0.0612975236,0.0612975236,GGA,R-3c,A3BC6_hR60_167_e_a_f:I-Rh-Te,20.0,A3BC6_hR60_167_e_a_f:I-Rh-Te +mp-1208522,Tb3TlF10,-6.6644029464,-4.137222152,0.0,-0.0268199252,GGA,P6_3mc,A10B3C_hP56_186_2b4cd_2c_ab:F-Tb-Tl,56.0,A10B3C_hP56_186_2b4cd_2c_ab:F-Tb-Tl +mp-1187283,Tb2Th2O5,-8.47051727,-3.044973686,0.6247632476,0.6247632476,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Tb-Th,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_ab_h:O-Tb-Th, expected Tb2Th2O9 to be Tb2Th2O5" +mp-19723,InAuO2,-5.3079363187,-1.3282005306,0.0159863608,0.0159863608,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-In-O,8.0,ABC2_hP8_194_c_a_f:Au-In-O +mp-1226421,Cr2MoP3,-8.2573350775,-0.5253929825,0.0522578717,0.0522578717,GGA,Pm,A2BC3_mP24_6_2a6b_4a_6a6b:Cr-Mo-P,24.0,A2BC3_mP24_6_2a6b_4a_6a6b:Cr-Mo-P +mp-867221,Ce3(TaN3)2,-9.8951709564,-1.5739171132,0.0,-0.0722071374,GGA,I4/mmm,A3B6C2_tI22_139_ae_eg_e:Ce-N-Ta,11.0,"Invalid WP multiplicities - A3B6C2_tI22_139_ae_e2g_e:Ce-N-Ta, expected Ce3(TaN5)2 to be Ce3(TaN3)2" +mp-1246757,Al2Pb3N4,-6.1536288417,-0.3786207783,0.3255556683,0.3255556683,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-N-Pb,18.0,A2B4C3_mC36_15_f_2f_ef:Al-N-Pb +mp-1245956,Al(PbN)3,-5.7724200514,-0.0734197921,0.3792650664,0.3792650664,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Al-N-Pb,14.0,AB3C3_hP14_176_c_h_h:Al-N-Pb +mp-1102843,FeMoP,-8.8341320658,-0.5911407903,0.0,-0.1360746886,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Mo-P,12.0,ABC_oP12_62_c_c_c:Fe-Mo-P +mp-28104,Fe2MoP12,-6.55462939,-0.3716078827,0.0,-0.0132915143,GGA,Pbcn,A2BC12_oP60_60_d_c_6d:Fe-Mo-P,60.0,"Invalid WP multiplicities - A2BC12_oP60_60_d_c_7d:Fe-Mo-P, expected Fe2MoP14 to be Fe2MoP12" +mp-1179384,Y4In20Ni11,-4.4009111414,-0.2728807833,0.0168950771,0.0168950771,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:In-Ni-Y,35.0,"Invalid WP multiplicities - A20B11C4_mC70_12_18i_a10i_3i:In-Ni-Y, expected Y2In12Ni7 to be Y4In20Ni11" +mp-672299,YInNi,-5.5027005011,-0.5032699933,0.0,-0.0183483394,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Y,9.0,ABC_hP9_189_f_bc_g:In-Ni-Y +mp-569523,Y2InNi2,-5.9702367,-0.5212568367,0.0,-0.0395773949,GGA,Cmmm,AB2C2_oC10_65_a_g_h:In-Ni-Y,5.0,AB2C2_oC10_65_a_g_h:In-Ni-Y +mp-1079576,Y2InNi2,-5.9499678970000005,-0.5009880337,0.020268803,-0.0193085919,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Y,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Y +mp-865689,Y11In9Ni4,-5.4922712325,-0.5332344601,0.0,-0.0286999108,GGA,Cmmm,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Y,24.0,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Y +mp-672335,YIn2Ni9,-5.5482788867,-0.2156898289,0.0019162642,0.0019162642,GGA,P4/mbm,A2B9C_tP24_127_g_cjk_a:In-Ni-Y,24.0,A2B9C_tP24_127_g_cjk_a:In-Ni-Y +mp-22056,YIn2Ni,-4.8769964887,-0.4395026754,0.0,-0.0192483274,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ni-Y,8.0,A2BC_oC16_63_f_c_c:In-Ni-Y +mp-1207989,Y12InNi6,-6.4142647242,-0.3600459258,0.0,-0.0155803166,GGA,Im-3,AB6C12_cI38_204_a_e_g:In-Ni-Y,19.0,AB6C12_cI38_204_a_e_g:In-Ni-Y +mp-1187135,Sr3P,-2.8197208363,-0.1992751196,0.451570408,0.451570408,GGA,P6_3/mmc,AB3_hP8_194_c_h:P-Sr,8.0,AB3_hP8_194_c_h:P-Sr +mp-1105302,SrP2,-4.9606507122,-0.78861789,0.0,-0.0001039419,GGA,P2_1/c,A2B_mP18_14_3e_ae:P-Sr,18.0,A2B_mP18_14_3e_ae:P-Sr +mp-11108,SrP3,-5.1215090588,-0.6391588154,0.0018785681,-0.0217659277,GGA,C2/m,A3B_mC16_12_ij_i:P-Sr,8.0,A3B_mC16_12_ij_i:P-Sr +mp-569867,SrP3,-5.1233876269,-0.6410373835000001,0.0,-0.0236444958,GGA,C2/m,A3B_mC32_12_2i2j_2i:P-Sr,16.0,"Invalid WP multiplicities - A3B_mC32_12_4i7j_3i:P-Sr, expected SrP6 to be SrP3" +mp-1853,Sr3P14,-5.2224717359,-0.4663120033,0.0,-0.0138150267,GGA,P2_1/c,A14B3_mP34_14_7e_ae:P-Sr,34.0,A14B3_mP34_14_7e_ae:P-Sr +mp-32635,Sr3P2,-4.2203699188,-1.0413528441,0.0,-0.2037237328,GGA,I-42d,A2B3_tI80_122_cde_3e:P-Sr,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d4e_16e:P-Sr, expected Sr2P to be Sr3P2" +mp-1013552,Sr3P2,-3.817434578,-0.6384175033,0.4029353408,0.199211608,GGA,Pm-3m,A2B3_cP5_221_ab_c:P-Sr,5.0,A2B3_cP5_221_ab_c:P-Sr +mp-682953,Sr3P4,-4.7663277664,-0.9489434255,0.0081151679,-0.0126578217,GGA,P1,A4B3_aP14_1_8a_6a:P-Sr,14.0,"Invalid WP multiplicities - A4B3_mC28_9_7a_5a:P-Sr, expected Sr5P7 to be Sr3P4" +mp-14288,Sr3P4,-4.7744429343,-0.9570585933,0.0,-0.0207729895,GGA,Fdd2,A4B3_oF56_43_2b_ab:P-Sr,14.0,A4B3_oF56_43_2b_ab:P-Sr +mp-12923,SrPIr,-6.3000684508,-0.9863250708,0.0,-0.1472530748,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-P-Sr,12.0,ABC_cP12_198_a_a_a:Ir-P-Sr +mp-7931,SrP,-4.5984343692,-1.0470363892,0.0,-0.0548551914,GGA,P-62m,AB_hP12_189_eh_fg:P-Sr,12.0,AB_hP12_189_eh_fg:P-Sr +mp-15074,Sr(PIr)2,-6.945013316,-0.9064199507,0.0,-0.087485191,GGA,P3_221,A2B2C_hP15_154_ab_c_a:Ir-P-Sr,15.0,"Invalid WP multiplicities - A2B2C_hP15_154_2ab_c_a:Ir-P-Sr, expected SrP2Ir3 to be Sr(PIr)2" +mp-22262,CoMoP,-8.4043112042,-0.6152210669,0.0,-0.1276459321,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Mo-P,12.0,ABC_oP12_62_c_c_c:Co-Mo-P +mp-1025557,CoMoP2,-7.8222815125,-0.6271382829000001,0.0,-0.0075172956,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Co-Mo-P,8.0,ABC2_hP8_194_a_b_f:Co-Mo-P +mp-1207206,CoMoP2,-7.6852643263,-0.4901210967,0.1370171862,0.1294998906,GGA,P6_3/mmc,ABC2_hP8_194_b_a_f:Co-Mo-P,8.0,ABC2_hP8_194_b_a_f:Co-Mo-P +mp-1247201,AlInN2,-6.6067634512,-0.8142010987,0.0174219912,0.0174219912,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-In-N,16.0,ABC2_oP16_33_a_a_2a:Al-In-N +mp-1246285,AlInN2,-6.4701598678,-0.6775975153,0.1540255747,0.1540255747,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-In-N,64.0,ABC2_oP64_61_2c_2c_4c:Al-In-N +mp-1245856,AlInN2,-6.5884989,-0.7959365475,0.0356865425,0.0356865425,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-In-N,8.0,ABC2_tI16_122_a_b_d:Al-In-N +mp-1245824,AlIn2N3,-6.2746856633,-0.5649476525,0.0157507992,0.0157507992,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Al-In-N,12.0,AB2C3_oC24_36_a_b_ab:Al-In-N +mp-1246874,Al2InN3,-6.9464104992,-1.071023805,0.0115239233,0.0115239233,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Al-In-N,12.0,A2BC3_oC24_36_b_a_ab:Al-In-N +mp-1025296,SnPPd5,-5.5897268443,-0.5436863569,0.0,-0.0381227568,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pd-Sn,7.0,AB5C_tP7_123_b_ai_c:P-Pd-Sn +mp-1244867,CoO2,-6.1145455758,-0.4473138366,0.6343333276,0.5987124389,GGA+U,P1,AB2_aP90_1_30a_60a:Co-O,90.0,AB2_aP90_1_30a_60a:Co-O +mp-1244948,CoO2,-6.0515460809,-0.3843143417,0.6973328224,0.6617119338,GGA+U,P1,AB2_aP90_1_30a_60a:Co-O,90.0,AB2_aP90_1_30a_60a:Co-O +mp-1245011,CoO2,-6.0516830648,-0.3844513256,0.6971958386,0.6615749499,GGA+U,P1,AB2_aP90_1_30a_60a:Co-O,90.0,AB2_aP90_1_30a_60a:Co-O +mp-1245099,CoO2,-6.0167682113,-0.3495364722,0.732110692,0.6964898034,GGA+U,P1,AB2_aP90_1_30a_60a:Co-O,90.0,AB2_aP90_1_30a_60a:Co-O +mp-1245119,CoO2,-6.1604526363,-0.4932208972,0.588426267,0.5528053784,GGA+U,P1,AB2_aP90_1_30a_60a:Co-O,90.0,AB2_aP90_1_30a_60a:Co-O +mp-1278455,CoO2,-6.7364177608,-1.0691860217,0.0124611425,-0.0231597461,GGA+U,P-1,AB2_aP12_2_bei_4i:Co-O,12.0,"Invalid WP multiplicities - AB2_aP12_2_be2i_8i:Co-O, expected Co3O8 to be CoO2" +mp-25234,CoO2,-6.7407423433,-1.0735106042,0.00813656,-0.0274843286,GGA+U,R-3m,AB2_hR9_166_a_c:Co-O,6.0,AB2_hR9_166_a_c:Co-O +mp-1178540,CoO2,-6.7230032538,-1.0557715146,0.0258756496,-0.009745239,GGA+U,C2,AB2_mC48_5_4c_8c:Co-O,24.0,"Invalid WP multiplicities - AB2_mC48_5_8c_15c:Co-O, expected Co8O15 to be CoO2" +mp-1349907,CoO2,-6.5675933096,-0.9003615704,0.1812855938,0.1456647051,GGA+U,Cm,AB2_mC96_8_8a4b_16a8b:Co-O,48.0,"Invalid WP multiplicities - AB2_mC96_8_8a7b_16a16b:Co-O, expected Co11O24 to be CoO2" +mp-1226115,CoO2,-6.0920834433,-0.4248517042,0.65679546,0.6211745714,GGA+U,Cm,AB2_mC6_8_a_2a:Co-O,3.0,AB2_mC6_8_a_2a:Co-O +mp-556750,CoO2,-6.5858502433,-0.9186185042,0.16302866,0.1274077714,GGA+U,C2/m,AB2_mC6_12_a_i:Co-O,3.0,AB2_mC6_12_a_i:Co-O +mp-1181781,CoO2,-5.4389407633,0.2282909758,1.30993814,1.2743172514,GGA+U,C2/m,AB2_mC6_12_a_i:Co-O,3.0,AB2_mC6_12_a_i:Co-O +mp-1272680,CoO2,-6.7347145575,-1.0674828183,0.0141643458,-0.0214565428,GGA+U,C2/m,AB2_mC6_12_a_i:Co-O,12.0,AB2_aP3_2_a_i:Co-O +mp-1281832,CoO2,-6.6756305083,-1.0083987692,0.073248395,0.0376275064,GGA+U,C2/c,AB2_mC12_15_c_f:Co-O,6.0,AB2_mC12_15_a_f:Co-O +mp-754748,CoO2,-6.7430803758,-1.0758486367,0.0057985275,-0.0298223611,GGA+U,Aem2,AB2_oC12_39_c_2c:Co-O,12.0,AB2_mC12_15_a_f:Co-O +mp-1062643,CoO2,-6.2282095267,-0.5609777875,0.5206693767,0.4850484881,GGA+U,Fmm2,AB2_oF12_42_a_c:Co-O,3.0,AB2_oF12_42_a_c:Co-O +mp-1344053,CoO2,-6.7236108546,-1.0563791154,0.0252680488,-0.0103528399,GGA+U,Pnma,AB2_oP24_62_2c_4c:Co-O,24.0,AB2_oP24_62_2c_4c:Co-O +mp-1047639,CoO2,-6.51406917,-0.8468374308000001,0.2348097333,0.1991888447,GGA+U,Cmcm,AB2_oC24_63_f_acf:Co-O,12.0,AB2_oC24_63_f_acf:Co-O +mp-856161,CoO2,-6.5848904767,-0.9176587375,0.1639884267,0.1283675381,GGA+U,Cmce,AB2_oC12_64_a_f:Co-O,6.0,AB2_oC12_64_a_f:Co-O +mp-796278,CoO2,-6.5845846333,-0.9173528942,0.16429427,0.1286733814,GGA+U,Cmce,AB2_oC12_64_a_f:Co-O,6.0,AB2_oC12_64_a_f:Co-O +mp-1063268,CoO2,-6.3387790733,-0.6715473342,0.41009983,0.3744789414,GGA+U,Cmmm,AB2_oC6_65_a_g:Co-O,3.0,AB2_oC6_65_a_g:Co-O +mp-1041988,CoO2,-6.4950668733,-0.8278351342,0.25381203,0.2181911414,GGA+U,Imma,AB2_oI24_74_ae_hi:Co-O,12.0,"Invalid WP multiplicities - AB2_oI24_74_ae_3h2i:Co-O, expected CoO5 to be CoO2" +mp-1400906,CoO2,-6.7488789033,-1.0816471642,0.0,-0.0356208886,GGA+U,I4/m,AB2_tI24_87_h_2h:Co-O,12.0,AB2_tI24_87_h_2h:Co-O +mp-1278937,CoO2,-6.6915504983,-1.0243187592,0.057328405,0.0217075164,GGA+U,I4_1/amd,AB2_tI24_141_c_h:Co-O,12.0,AB2_tI24_141_c_h:Co-O +mp-1356781,CoO2,-6.6449370108,-0.9777052717,0.1039418925,0.0683210039,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Co-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c13d:Co-O, expected Co8O15 to be CoO2" +mp-1359404,CoO2,-6.6654513678,-0.9982196286,0.0834275356,0.0478066469,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Co-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c15d:Co-O, expected Co8O17 to be CoO2" +mp-756488,CoO2,-6.6289195375,-0.9616877983,0.1199593658,0.0843384772,GGA+U,R3m,AB2_hR36_160_ab_2a2b:Co-O,12.0,AB2_hR36_160_ab_2a2b:Co-O +mp-32686,CoO2,-6.7405442217,-1.0733124825,0.0083346817,-0.0272862069,GGA+U,P-3m1,AB2_hP3_164_a_d:Co-O,6.0,AB2_hP3_164_a_d:Co-O +mp-550206,CoO2,-6.7421294917,-1.0748977525,0.0067494117,-0.0288714769,GGA+U,R-3m,AB2_hR9_166_a_c:Co-O,6.0,AB2_hR9_166_a_c:Co-O +mp-1272749,CoO2,-6.742270095,-1.0750383558,0.0066088083,-0.0290120803,GGA+U,R-3m,AB2_hR9_166_a_c:Co-O,6.0,AB2_hR9_166_a_c:Co-O +mp-754720,CoO2,-6.608551225,-0.9413194858,0.1403276783,0.1047067897,GGA+U,R-3m,AB2_hR18_166_ab_2c:Co-O,6.0,"Invalid WP multiplicities - AB2_hR18_166_ab_3c:Co-O, expected CoO3 to be CoO2" +mp-1062939,CoO2,-6.7404124133,-1.0731806742,0.00846649,-0.0271543986,GGA+U,R-3m,AB2_hR9_166_a_c:Co-O,12.0,AB2_hR9_166_a_c:Co-O +mp-755508,CoO2,-6.6810518783,-1.0138201392,0.067827025,0.0322061364,GGA+U,P6_3mc,AB2_hP24_186_bc_ab2c:Co-O,24.0,"Invalid WP multiplicities - AB2_hP24_186_2b3c_a2b9c:Co-O, expected Co11O30 to be CoO2" +mp-1408926,CoO2,-5.469027915,0.1982038242,1.2798509883,1.2442300997,GGA+U,P6_3/mmc,AB2_hP6_194_c_f:Co-O,6.0,AB2_hP6_194_c_f:Co-O +mp-1275937,CoO2,-6.7413000467,-1.0740683075,0.0075788567,-0.0280420319,GGA+U,P6_3/mmc,AB2_hP6_194_a_f:Co-O,12.0,AB2_hP6_194_a_f:Co-O +mp-504097,CoO2,-6.691277025,-1.0240452858,0.0576018783,0.0219809897,GGA+U,Fd-3m,AB2_cF48_227_c_e:Co-O,12.0,"Invalid WP multiplicities - AB2_mC24_12_ade_4ij:Co-O, expected CoO3 to be CoO2" +mp-1244882,CoO,-6.910782107,-0.8832788539,0.4017379018,0.2558153361,GGA+U,P1,AB_aP80_1_40a_40a:Co-O,80.0,AB_aP80_1_40a_40a:Co-O +mp-1244939,CoO,-6.9031130571,-0.8756098040000001,0.4094069516,0.263484386,GGA+U,P1,AB_aP80_1_40a_40a:Co-O,80.0,AB_aP80_1_40a_40a:Co-O +mp-1245089,CoO,-6.9437163177,-0.9162130646,0.368803691,0.2228811254,GGA+U,P1,AB_aP80_1_40a_40a:Co-O,80.0,AB_aP80_1_40a_40a:Co-O +mp-1245304,CoO,-6.9283963294,-0.9008930762,0.3841236794,0.2382011138,GGA+U,P1,AB_aP80_1_40a_40a:Co-O,80.0,AB_aP80_1_40a_40a:Co-O +mp-19275,CoO,-7.1808832613,-1.1533800081,0.1316367475,-0.0142858181,GGA+U,I4/mmm,AB_tI4_139_a_b:Co-O,8.0,AB_tI4_139_a_b:Co-O +mp-19079,CoO,-7.2756050125,-1.2481017594,0.0369149963,-0.1090075694,GGA+U,Fm-3m,AB_cF8_225_a_b:Co-O,4.0,AB_mC4_12_a_d:Co-O +mp-19128,CoO,-7.3121074288,-1.2846041756,0.00041258,-0.1455099856,GGA+U,P6_3mc,AB_hP4_186_b_b:Co-O,8.0,AB_hP4_186_b_b:Co-O +mp-22408,CoO,-7.3125200088,-1.2850167556,0.0,-0.1459225656,GGA+U,F-43m,AB_cF8_216_a_c:Co-O,8.0,AB_cF8_216_a_c:Co-O +mp-705563,Co29O40,-7.0478540046,-1.1926545191,0.0900217804,0.0900217804,GGA+U,P1,A29B40_aP69_1_29a_40a:Co-O,69.0,A29B40_aP69_1_29a_40a:Co-O +mp-864655,PaCo3,-8.0355519925,-0.3256474812,0.0,-0.3256474812,GGA,Pm-3m,A3B_cP4_221_c_a:Co-Pa,4.0,A3B_cP4_221_c_a:Co-Pa +mp-1186400,PaCoO3,-8.596396256,-2.3037865383,0.6302286235,0.6302286235,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Pa,5.0,AB3C_cP5_221_b_c_a:Co-O-Pa +mp-766681,Co15O28,-6.7954240288,-1.0946786605,0.0228109077,0.0228109077,GGA+U,P-1,A15B28_aP43_2_acf6i_14i:Co-O,43.0,"Invalid WP multiplicities - A15B28_aP43_2_acf12i_27i:Co-O, expected CoO2 to be Co15O28" +mp-1271784,Co3O4,-7.1445413964,-1.2714402207,0.0303817107,-0.0514022893,GGA+U,Imma,A3B4_oI28_74_ace_hi:Co-O,14.0,"Invalid WP multiplicities - A3B4_oI28_74_ace_2h3i:Co-O, expected Co3O10 to be Co3O4" +mp-1271940,Co3O4,-7.0850250064,-1.2119238307,0.0898981007,0.0081141007,GGA+U,I4_1/amd,A3B4_tI28_141_ad_h:Co-O,14.0,"Invalid WP multiplicities - A3B4_oI28_74_ace_2h3i:Co-O, expected Co3O10 to be Co3O4" +mp-1271793,Co3O4,-7.1749231071,-1.3018219314,0.0,-0.081784,GGA+U,R-3m,A3B4_hR42_166_acd_ch:Co-O,14.0,"Invalid WP multiplicities - A3B4_mC28_12_adei_4i2j:Co-O, expected Co3O8 to be Co3O4" +mp-18748,Co3O4,-7.1644431757,-1.291342,0.0104799314,-0.0713040686,GGA+U,Fd-3m,A3B4_cF56_227_ad_e:Co-O,14.0,"Invalid WP multiplicities - A3B4_cF56_227_2a2d_e:Co-O, expected Co3O2 to be Co3O4" +mp-2215229,Co7O12,-6.7564019521,-1.0133235784,0.1494406053,0.1494406053,GGA+U,P1,A7B12_aP19_1_7a_12a:Co-O,19.0,A7B12_aP19_1_7a_12a:Co-O +mp-756900,Co7O12,-6.7834812747,-1.0404029011,0.1223612826,0.1223612826,GGA+U,C2,A7B12_mC38_5_2a3bc_6c:Co-O,19.0,"Invalid WP multiplicities - A7B12_mC38_5_2a3b2c_6c:Co-O, expected Co3O4 to be Co7O12" +mp-1343966,Co9O13,-6.8459438073,-1.014952289,0.2418338945,0.2418338945,GGA+U,C2/m,A9B13_mC44_12_a4i_d6i:Co-O,22.0,A9B13_mC44_12_a4i_c6i:Co-O +mp-850026,Co21O40,-6.7499283602,-1.0590722594,0.0478408616,0.0478408616,GGA+U,I-4,A21B40_tI122_82_a5g_10g:Co-O,61.0,"Invalid WP multiplicities - A21B40_tI122_82_a15g_35g:Co-O, expected Co61O140 to be Co21O40" +mp-1043418,Co2O3,-6.751493541,-0.9401531962,0.295616305,0.295616305,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Co-O,20.0,A2B3_oC40_63_2f_ac2f:Co-O +mp-1046082,Co5O7,-6.7202618304,-0.8728943343000001,0.4014057512,0.4014057512,GGA+U,Cmcm,A5B7_oC48_63_a2f_c3f:Co-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Co-O, expected CoO to be Co5O7" +mp-1079523,CoO4,-5.429403329,-0.050388801,0.5985994975000001,0.5985994975000001,GGA+U,P2_1/m,AB4_mP10_11_e_2ef:Co-O,10.0,AB4_mP10_11_e_2ef:Co-O +mp-761471,Co5O8,-6.9581354754,-1.1800509627,0.0201518454,0.0201518454,GGA+U,F-43m,A5B8_cF52_216_ae_2e:Co-O,13.0,"Invalid WP multiplicities - A5B8_cF52_216_a2e_2e:Co-O, expected Co9O8 to be Co5O8" +mp-1207707,Y2(Al3Ir)3,-6.0967215875,-0.871119642,0.0,-0.1795101396,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-Y +mp-1215933,YAl3Ag,-4.462417062,-0.3552661407,0.0048611449,0.0048611449,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Ag-Al-Y,5.0,AB3C_tI10_119_a_bf_c:Ag-Al-Y +mp-1095788,Y2AlAg,-2.65532333,2.222445185,2.5988815752,2.5988815752,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Al-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Al-Y +mp-1187708,Y2AlAg,-5.25138842,-0.373619905,0.0028164852,0.0028164852,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Al-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Al-Y +mp-865504,YAlAg2,-4.308936985,-0.3396472475,0.0052083922,0.0052083922,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Y +mp-1194250,Nb3Cr3N,-10.0808307907,-0.4237518686,0.0156637721,0.0156637721,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Cr-N-Nb,28.0,A3BC3_cF112_227_ce_d_f:Cr-N-Nb +mp-1246766,CaRhN2,-6.7682387895,-0.2575143895,0.2993653405,0.2993653405,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Rh,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-Rh +mp-1247261,CaRhN2,-6.8815182875000005,-0.3707938875,0.1860858425,0.1860858425,GGA,R-3m,AB2C_hR12_166_a_c_b:Ca-N-Rh,4.0,AB2C_hR12_166_a_c_b:Ca-N-Rh +mp-1246056,Ca3(RhN2)2,-6.4812323678,-0.4710773589,0.1616688863,0.1616688863,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Rh,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Rh +mp-1247259,Ca3RhN3,-6.2273411736,-0.7429708471,0.0,-0.003314288,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ca-N-Rh,14.0,A3B3C_hP14_176_h_h_c:Ca-N-Rh +mp-1245633,Ca7RhN6,-5.8626505079,-0.7610450379,0.0669114707,0.0669114707,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Rh,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Rh +mp-1246957,Ca4RhN4,-6.0935564111,-0.6788134011,0.0905664602,0.0905664602,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Rh,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Rh +mp-1246095,Ca4RhN4,-5.9529290675,-0.5381860575,0.2311938038,0.2311938038,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Rh,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Rh +mp-1246533,Mg2PdN2,-5.458362416,-0.447676064,0.1821462515,0.1821462515,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Mg-N-Pd,5.0,A2B2C_tI10_139_e_e_a:Mg-N-Pd +mp-1245519,HfCoN2,-9.1663243963,-0.7317002275000001,0.3848205406,0.3848205406,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Co-Hf-N,8.0,ABC2_hP8_194_a_c_f:Co-Hf-N +mp-4341,Pr(P3Ru)4,-6.9406862112,-0.6560893879,0.0,-0.0010734399,GGA,Im-3,A12BC4_cI34_204_g_a_c:P-Pr-Ru,17.0,A12BC4_cI34_204_g_a_c:P-Pr-Ru +mp-1205135,Pr5P12Ru19,-8.1807589772,-0.8174865574,0.0,-0.0522106792,GGA,P-62m,A12B5C19_hP36_189_2fk_cg_afgjk:P-Pr-Ru,36.0,A12B5C19_hP36_189_2fk_cg_afgjk:P-Pr-Ru +mp-570236,Pr(PRu)2,-7.834957088,-1.0036939183,0.0,-0.0633335442,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:P-Pr-Ru,5.0,A2BC2_tI10_139_e_a_d:P-Pr-Ru +mp-1224852,FePRh,-7.5436609956,-0.4611171333,0.1402003792,0.1402003792,GGA,P-62m,ABC_hP9_189_f_ad_g:Fe-P-Rh,9.0,ABC_hP9_189_f_ad_g:Fe-P-Rh +mp-1216777,U2As3Se,-7.5638790767,-0.8878646246,0.0044002342,0.0044002342,GGA,P4mm,A3BC2_tP6_99_ac_b_ab:As-Se-U,6.0,A3BC2_tP6_99_ac_b_ab:As-Se-U +mp-1216733,U3As2Se,-8.53927369,-0.7578773037000001,0.1445729317,0.1445729317,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:As-Se-U,6.0,A2BC3_hP6_164_d_a_bd:As-Se-U +mp-1100963,U5As3Se2,-8.5325753715,-0.7899525495,0.1486923975,0.1486923975,GGA,I4/m,A3B2C5_tI40_87_abh_h_di:As-Se-U,20.0,"Invalid WP multiplicities - A3B2C5_tI40_87_ab2h_h_2d3i:As-Se-U, expected U14As5Se2 to be U5As3Se2" +mp-22595,UAsSe,-7.607582215,-1.1254355841,0.0,-0.0496236013,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Se-U,6.0,ABC_tP6_129_a_c_c:As-Se-U +mp-685138,U2AsSe,-8.6743971287,-0.9899346531,0.0030023613,-0.0173241963,GGA,C2/m,ABC2_mC16_12_i_i_2i:As-Se-U,8.0,ABC2_tI16_141_a_b_e:As-Se-U +mp-1216662,U2AsSe,-8.6714765075,-0.9870140318,0.0059229825,-0.014403575,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:As-Se-U,4.0,ABC2_tP4_123_a_d_bc:As-Se-U +mp-1216738,U2AsSe,-8.5230697375,-0.8386072618,0.1543297525,0.134003195,GGA,P4/mmm,ABC2_tP4_123_a_b_h:As-Se-U,4.0,ABC2_tP4_123_a_b_h:As-Se-U +mp-1173089,U2AsSe,-8.677399489999999,-0.9929370143,0.0,-0.0203265575,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:As-Se-U,8.0,ABC2_tI16_141_a_b_e:As-Se-U +mp-13861,HfB4Ir3,-8.4312450212,-0.5324876896,0.0,-0.0203513785,GGA,P6_3/m,A4BC3_hP16_176_bh_c_h:B-Hf-Ir,16.0,A4BC3_hP16_176_bh_c_h:B-Hf-Ir +mp-22409,Hf3B2Ir5,-9.578860065,-0.8366079118,0.0537956815,0.0537956815,GGA,P4/mbm,A2B3C5_tP20_127_g_ag_cj:B-Hf-Ir,20.0,"Invalid WP multiplicities - A2B3C5_tP20_127_g_2a2g_c2j:B-Hf-Ir, expected Hf6B2Ir9 to be Hf3B2Ir5" +mp-1223830,Hf2BIr6,-9.6334804822,-0.7863277144,0.0,-0.0325021439,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:B-Hf-Ir,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:B-Hf-Ir, expected Hf2BIr10 to be Hf2BIr6" +mp-542058,Tl3B3Se10,-4.4037946994,-0.5234684788,0.0026685148,0.0026685148,GGA,P-1,A3B10C3_aP32_2_3i_10i_3i:B-Se-Tl,32.0,A3B10C3_aP32_2_3i_10i_3i:B-Se-Tl +mp-16183,Tl2B2Se7,-4.3995367386,-0.5308594497,0.0,-0.023253652,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:B-Se-Tl,22.0,A2B7C2_mC44_15_f_e3f_f:B-Se-Tl +mp-29959,TlBSe3,-4.4206499390000005,-0.5146960689,0.0010515213,0.0010515213,GGA,Cc,AB3C_mC20_9_a_3a_a:B-Se-Tl,10.0,AB3C_mC20_9_a_3a_a:B-Se-Tl +mp-28490,Tl3BSe3,-3.9856287471,-0.520620798,0.0,-0.0445581698,GGA,P2_1/m,AB3C3_mP14_11_e_ef_ef:B-Se-Tl,14.0,AB3C3_mP14_11_e_ef_ef:B-Se-Tl +mp-999484,YTi,-6.816506235,0.36447533,0.36447533,0.36447533,GGA,Pm-3m,AB_cP2_221_a_b:Ti-Y,2.0,AB_cP2_221_a_b:Ti-Y +mp-1093880,YTiPd2,-4.2945034125,1.885928275,2.6291534467,2.6291534467,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Ti-Y,4.0,A2BC_oI8_71_e_a_b:Pd-Ti-Y +mp-676156,Gd5AgS8,-9.7150372179,-2.1218396365,0.0288499799,0.0288499799,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Gd-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_cg_5g:Ag-Gd-S, expected Gd5AgS20 to be Gd5AgS8" +mp-1105168,Eu(InS2)2,-5.9062319086,-1.2910649475,0.0,-0.0069266245,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Eu-In-S,14.0,AB2C4_oC28_66_a_l_kl:Eu-In-S +mp-1219179,Sm3TmS4,-6.638019135,-2.240844973,0.011458505,0.011458505,GGA,Pmmm,A4B3C_oP8_47_abl_ck_d:S-Sm-Tm,8.0,"Invalid WP multiplicities - A4B3C_oP8_47_ab2l_c2k_d:S-Sm-Tm, expected Sm5TmS6 to be Sm3TmS4" +mp-1218978,SmTmS2,-6.59711289,-2.230282567,0.0,-0.0044067575,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Sm-Tm,4.0,A2BC_hR12_166_c_a_b:S-Sm-Tm +mp-1208949,Sm4(TmS2)11,-6.6437292835,-2.3434473574,0.0267983475,0.0267983475,GGA,C2/m,A22B4C11_mC74_12_11i_2i_a5i:S-Sm-Tm,37.0,A22B4C11_mC74_12_11i_2i_a5i:S-Sm-Tm +mp-36150,Sm2TmS4,-6.6187379693,-2.2674798035,0.0770857071,0.0770857071,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Sm-Tm,14.0,A4B2C_tI28_122_e_d_a:S-Sm-Tm +mp-20388,Pr3PbC,-3.896917308,1.5598886575000002,1.8858387993,1.8858387993,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Pb-Pr,5.0,ABC3_cP5_221_a_b_c:C-Pb-Pr +mp-1212935,GaPbF5,-5.1617027873,-2.8333973688,0.0084839157,0.0084839157,GGA,I4,A5BC_tI112_79_2ab9c_2abc_2c:F-Ga-Pb,56.0,A5BC_tI112_79_2ab9c_2abc_2c:F-Ga-Pb +mp-556117,Ga3Pb5F19,-5.1850337824,-2.8159366046,0.0,-0.0160924271,GGA,I4cm,A19B3C5_tI108_108_a3c3d_ac_bd:F-Ga-Pb,54.0,"Invalid WP multiplicities - A19B3C5_tI108_108_2a10c22d_2a2c_2b3d:F-Ga-Pb, expected Ga3Pb7F55 to be Ga3Pb5F19" +mp-1181390,GaF3,-3.0744616025,-0.8838283713,2.0456162075,-0.8838283713,GGA,C2/c,A3B_mC16_15_ef_a:F-Ga,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_a:F-Ga, expected GaF8 to be GaF3" +mp-588,GaF3,-5.12007781,-2.9294445787,0.0,-2.9294445787,GGA,R-3c,A3B_hR24_167_e_b:F-Ga,8.0,A3B_hR24_167_e_b:F-Ga +mp-1216446,V9Te8,-6.7879699488,-0.4996404325,0.0102504898,0.0102504898,GGA,P1,A8B9_aP17_1_8a_9a:Te-V,17.0,A8B9_aP17_1_8a_9a:Te-V +mp-1028,V3Te4,-6.2486714471,-0.5593940495,0.0144808189,0.0144808189,GGA,C2/m,A4B3_mC14_12_2i_ai:Te-V,7.0,A4B3_mC14_12_2i_ai:Te-V +mp-9948,V5Te4,-6.9369418167,-0.4933024919,0.0,-0.0214198611,GGA,I4/m,A4B5_tI18_87_h_ah:Te-V,9.0,A4B5_tI18_87_h_ah:Te-V +mp-1100422,VTeRu,-7.28189392,-0.1146890856,0.3268014742,0.3268014742,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Te-V,3.0,ABC_cF12_216_c_a_b:Ru-Te-V +mp-1008626,VTe2,-5.71280606,-0.5893001078,0.0,-0.0677701756,GGA,P-3m1,A2B_hP3_164_d_a:Te-V,3.0,A2B_hP3_164_d_a:Te-V +mp-10256,VTe,-6.4917445925,-0.3781386108,0.1504142958,0.1504142958,GGA,P6_3/mmc,AB_hP4_194_c_a:Te-V,4.0,AB_hP4_194_c_a:Te-V +mp-1207855,V5Te8,-6.0299174215,-0.6017653064,0.0,-0.0285684608,GGA,C2/m,A8B5_mC26_12_2ij_ahi:Te-V,13.0,A8B5_mC26_12_2ij_ahi:Te-V +mp-11733,Lu3InN,-6.020281422,-1.090075379,0.0,-0.070267254,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-Lu-N,5.0,AB3C_cP5_221_a_c_b:In-Lu-N +mp-1105603,Lu5Ge3C,-5.8223053289,-0.7442495892000001,0.0,-0.0159757997,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Lu,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Lu +mp-4613,Zr2SnC,-8.3664548112,-0.7830451594000001,0.0,-0.0932723342,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Sn-Zr,8.0,ABC2_hP8_194_a_c_f:C-Sn-Zr +mp-1207413,Zr5Sn3C,-7.786605365,-0.6759515642,0.0,-0.0084915313,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:C-Sn-Zr +mp-1184458,GdYRh2,-9.635019625,-0.8172173517,0.00996111,0.00996111,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Gd-Rh-Y +mp-1237499,Hf3CoF6,-6.808272226,-1.963396357,1.2158793446,1.2158793446,GGA+U,P-1,AB6C3_aP10_2_a_3i_bcd:Co-F-Hf,10.0,AB6C3_aP10_2_a_3i_bcd:Co-F-Hf +mp-1215478,Zr2VCo3,-8.245477215,-0.3281004292,0.0,-0.0510611619,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-V-Zr,6.0,A3BC2_hR18_166_d_a_c:Co-V-Zr +mp-1215194,ZrVCo,-8.4804693258,-0.2338278275,0.0131976497,0.0131976497,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Co-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Co-V-Zr, expected Zr3(VCo)2 to be ZrVCo" +mp-1215324,ZrVCo,-8.4667228392,-0.2200813408,0.0269441363,0.0269441363,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-V-Zr, expected Zr3(VCo)2 to be ZrVCo" +mp-31058,Er3InN,-6.043004332,-1.084737315,0.0,-0.096283571,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Er-In-N,5.0,A3BC_cP5_221_c_a_b:Er-In-N +mp-1002229,ErN,-7.45231898,-1.0002121125,0.956744155,-1.0002121125,GGA,Pm-3m,AB_cP2_221_a_b:Er-N,2.0,AB_cP2_221_a_b:Er-N +mp-19830,ErN,-8.409063135,-1.9569562675,0.0,-1.9569562675,GGA,Fm-3m,AB_cF8_225_a_b:Er-N,2.0,AB_cF8_225_a_b:Er-N +mp-20030,U2InCo2,-8.027379614,-0.117151746,0.097419061,0.097419061,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Co-In-U,10.0,A2BC2_tP10_127_g_a_h:Co-In-U +mp-608543,Sc2CrC3,-8.7438573583,-0.4098603321,0.0,-0.0333411465,GGA,Pbam,A3BC2_oP24_55_2gh_g_adh:C-Cr-Sc,24.0,"Invalid WP multiplicities - A3BC2_oP24_55_2g5h_h_2a2dg:C-Cr-Sc, expected Sc3CrC7 to be Sc2CrC3" +mp-1188534,ScCrC2,-8.9517836738,-0.3410717837,0.0006015988,-0.0129446444,GGA,Pmmn,A2BC_oP16_59_2e_ab_e:C-Cr-Sc,16.0,A2BC_hP8_194_f_c_a:C-Cr-Sc +mp-4992,ScCrC2,-8.9523852725,-0.3416733825,0.0,-0.0135462431,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:C-Cr-Sc,8.0,A2BC_hP8_194_f_c_a:C-Cr-Sc +mp-1196573,NaYbN4,-4.1338211244,1.9008644212,2.5080486436,2.5080486436,GGA,Pnna,A4BC_oP48_52_4e_2d_cd:N-Na-Yb,,A4BC_oP48_52_4e_2d_cd:N-Na-Yb +mp-34232,K(AsRh)2,-5.643128568,-0.6116782686000001,0.0,-0.153988598,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-K-Rh,5.0,A2BC2_tI10_139_e_a_d:As-K-Rh +mp-1066655,K3Rh,-2.133036745,0.5408394327,0.5408394327,0.5408394327,GGA,C2/m,A3B_mC8_12_ai_c:K-Rh,4.0,A3B_mC8_12_ai_d:K-Rh +mp-1180810,K3Rh,-2.112084245,0.5617919327,0.5617919327,0.5617919327,GGA,C2/m,A3B_mC8_12_ai_c:K-Rh,4.0,A3B_mC8_12_ai_d:K-Rh +mp-1185110,K3Rh,-2.0998613625,0.5740148152,0.5740148152,0.5740148152,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Rh,4.0,A3B_tI8_139_ad_b:K-Rh +mp-1180789,K3Rh,-2.135323335,0.5385528428,0.5385528428,0.5385528428,GGA,P-3m1,A3B_hP4_164_ad_b:K-Rh,4.0,A3B_hP4_164_ad_b:K-Rh +mp-976126,K3Rh,-2.0908452462,0.5830309315000001,0.5830309315000001,0.5830309315000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Rh,8.0,A3B_hP8_194_h_c:K-Rh +mp-1223477,KAs2Rh,-4.65556806,-0.2073321533,0.3241631998,0.3241631998,GGA,I-4m2,A2BC_tI8_119_e_a_c:As-K-Rh,4.0,A2BC_tI8_119_e_a_c:As-K-Rh +mp-12889,ZrU3Sb5,-7.5491856089,-0.54174818,0.0,-0.0662680547,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Sb-U-Zr,18.0,"Invalid WP multiplicities - A5B3C_hP18_193_2d2g_g_b:Sb-U-Zr, expected ZrU3Sb10 to be ZrU3Sb5" +mp-1190246,Ir2Pb2O7,-6.8561838805,-1.4262762915,0.0,-0.1000792284,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ir-O-Pb,22.0,A2B7C2_cF88_227_d_af_c:Ir-O-Pb +mp-722912,Hf3Zn3C,-6.6048087143,-0.4791710839,0.0,-0.0593806862,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:C-Hf-Zn,28.0,AB3C3_cF112_227_c_f_de:C-Hf-Zn +mp-1105652,Yb(CoP3)4,-6.1485565141,-0.5642912471,0.0,-0.0271051611,GGA,Im-3,A4B12C_cI34_204_c_g_a:Co-P-Yb,,A4B12C_cI34_204_c_g_a:Co-P-Yb +mp-1203041,YbCo3P2,-6.4632471197,-0.8480526733,0.0,-0.0417416825,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Yb,,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Yb +mp-1207639,Yb5Co19P12,-6.5919203547,-0.8220395329,0.0,-0.0033030418,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Yb,,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Yb +mp-1199692,YbCo5P3,-6.7139875061000005,-0.7894203089,0.0,-0.0072646759,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Yb,,A5B3C_oP36_62_5c_3c_c:Co-P-Yb +mp-568202,Yb6Co30P19,-6.7040856845,-0.7888142090000001,0.0,-0.0063474613,GGA,P-6,A30B19C6_hP55_174_5j5k_a3j3k_jk:Co-P-Yb,,"Invalid WP multiplicities - A30B19C6_hP55_174_13j14k_a8j8k_j2k:Co-P-Yb, expected Yb9Co81P49 to be Yb6Co30P19" +mp-567602,Yb2Co12P7,-6.7723242448,-0.759364833,0.0,-0.0079567811,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Yb,,"Invalid WP multiplicities - A12B7C2_hP21_174_6j4k_a3j3k_cf:Co-P-Yb, expected Yb2Co30P19 to be Yb2Co12P7" +mp-1095186,K(NpSe3)2,-6.6810637989,-1.3497941127,0.0,-0.0682382344,GGA,Immm,AB2C6_oI18_71_a_f_em:K-Np-Se,9.0,AB2C6_oI18_71_a_f_em:K-Np-Se +mp-1206849,SrPAu,-4.36617955,-0.9072868967,0.0,-0.1376692972,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Au-P-Sr,6.0,ABC_hP6_194_c_d_a:Au-P-Sr +mp-1097182,Sr2PAu,-2.513080195,0.5034626583,1.4308802917,1.4308802917,GGA,Immm,ABC2_oI8_71_a_b_e:Au-P-Sr,4.0,ABC2_oI8_71_a_b_e:Au-P-Sr +mp-672322,Eu3(B3Rh4)2,-8.25269283,-0.6196446544,0.0,-0.0048018353,GGA,Fmmm,A6B3C8_oF68_69_gn_ai_fij:B-Eu-Rh,17.0,"Invalid WP multiplicities - A6B3C8_oF68_69_2gn_a2i_2fi2j:B-Eu-Rh, expected Eu5(B4Rh7)2 to be Eu3(B3Rh4)2" +mp-21127,EuB2Rh3,-8.2158246933,-0.5977065347,0.0,-0.0124865833,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Eu-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Eu-Rh +mp-570529,Eu2B4Rh5,-8.2653817045,-0.6241898833,0.0,-0.0117891565,GGA,Fmmm,A4B2C5_oF44_69_n_g_acf:B-Eu-Rh,11.0,"Invalid WP multiplicities - A4B2C5_oF44_69_n_g_a2cf:B-Eu-Rh, expected Eu2B4Rh7 to be Eu2B4Rh5" +mp-510377,EuBRh3,-8.275823618,-0.4699601818,0.02434348,0.02434348,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Eu-Rh,5.0,ABC3_cP5_221_b_a_c:B-Eu-Rh +mp-1096578,Y2TlZn,-2.1161769375,2.0226553083,2.39044509,2.39044509,GGA,Immm,AB2C_oI8_71_a_e_b:Tl-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Tl-Y-Zn +mp-1187725,Y2TlZn,-4.5053949575,-0.3665627117,0.00122707,0.00122707,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Tl-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Tl-Y-Zn +mp-972222,TaBeO3,-8.196267866,-2.1088165402,1.0010094554,1.0010094554,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Ta,5.0,AB3C_cP5_221_b_c_a:Be-O-Ta +mp-979416,Ta2Be2O5,-8.1894286689,-1.9752259415,0.9611281603,0.9611281603,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Be-O-Ta,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Be-O-Ta, expected Ta2Be2O9 to be Ta2Be2O5" +mp-772825,Ta2BeO6,-9.5332832067,-3.1849387186,0.0997667367,0.0997667367,GGA,Pnma,AB6C2_oP36_62_c_2c2d_d:Be-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_oP36_62_c_8c5d_d:Be-O-Ta, expected Ta2BeO18 to be Ta2BeO6" +mp-36069,Co2TcO4,-7.8270220271,-1.4893035443,0.0525115568,0.0525115568,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Tc,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_4h3i_c:Co-O-Tc, expected Co2TcO14 to be Co2TcO4" +mp-1017053,Mg6CdB,-1.8446582194,0.3058370095,0.3803032623,0.3803032623,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Cd-Mg, expected Mg12CdB to be Mg6CdB" +mp-1100160,Mg6CdB,-1.8125158025,0.3379794264,0.4124456792,0.4124456792,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Cd-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Cd-Mg +mp-1026566,Mg14CdB,-1.7167252088,0.1586624307,0.2097023488,0.2097023488,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Cd-Mg, expected Mg18CdB to be Mg14CdB" +mp-1026485,Mg14CdB,-1.7144328812,0.1609547582,0.2119946763,0.2119946763,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Cd-Mg, expected Mg26CdB to be Mg14CdB" +mp-1072852,CdB2,-2.18796657,2.5725911972,2.5725911972,2.5725911972,GGA,Pn-3m,A2B_cP6_224_b_a:B-Cd,6.0,A2B_cP6_224_b_a:B-Cd +mp-1183580,Cd3B,-1.5128635375,0.8491517252,0.8491517252,0.8491517252,GGA,I4/mmm,AB3_tI8_139_a_bd:B-Cd,4.0,AB3_tI8_139_a_bd:B-Cd +mp-1216430,V6SiSn,-8.2320715138,-0.2397807256,0.0153781137,0.0153781137,GGA,Pm-3,ABC6_cP8_200_a_b_f:Si-Sn-V,8.0,ABC6_cP8_200_a_b_f:Si-Sn-V +mp-1337931,RhSCl5,-3.8288216513,-0.8654729318000001,0.0064139044,-0.0056920003,GGA,P1,A5BC_aP84_1_60a_12a_12a:Cl-Rh-S,84.0,A5BC_aP84_1_60a_12a_12a:Cl-Rh-S +mp-657300,RhSCl5,-3.8307152201,-0.8673665006,0.0045203356,-0.0075855691,GGA,Cc,A5BC_mC168_9_30a_6a_6a:Cl-Rh-S,84.0,"Invalid WP multiplicities - A5BC_mC168_15_57f_9f_8f:Cl-Rh-S, expected Rh9S8Cl57 to be RhSCl5" +mp-1179727,RhSCl5,-3.8352355557,-0.8718868362000001,0.0,-0.0121059047,GGA,C2/c,A5BC_mC168_15_15f_3f_3f:Cl-Rh-S,84.0,"Invalid WP multiplicities - A5BC_mC168_15_57f_9f_8f:Cl-Rh-S, expected Rh9S8Cl57 to be RhSCl5" +mp-1189243,ErPd3S4,-5.7027059238,-1.1210604603,0.0012794264,0.0012794264,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:Er-Pd-S,16.0,AB3C4_cP16_223_a_c_e:Er-Pd-S +mp-1186924,Re2Rh2O5,-7.7690686767,-0.618944936,0.9744031985,0.9744031985,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Re-Rh,9.0,A5B2C2_tP9_123_ci_h_ab:O-Re-Rh +mp-1209014,Re(RhO3)2,-7.86054658,-1.5435160031,0.0158698947,0.0158698947,GGA,P4_2/mnm,A6BC2_tP18_136_fj_a_e:O-Re-Rh,18.0,A6BC2_tP18_136_fj_a_e:O-Re-Rh +mp-1206844,RbPaO3,-8.604355962,-3.5373029887,0.0,-0.6238426460000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pa-Rb,5.0,A3BC_cP5_221_c_b_a:O-Pa-Rb +mp-1203475,Tm3InS6,-6.049876317,-1.9500873969,0.0421346109,0.0421346109,GGA,P2_12_12,AB6C3_oP40_18_ab_6c_3c:In-S-Tm,40.0,AB6C3_oP40_18_ab_6c_3c:In-S-Tm +mp-1196894,TbCo5P3,-7.1071592206,-0.8387300433,0.0,-0.0085277337,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Tb,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Tb +mp-1217664,Tb5Co19P12,-7.0845144697,-0.8848061729000001,0.000823544,0.000823544,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Tb,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Tb +mp-1203453,TbCo3P2,-7.0635168069,-0.9325293906,0.0,-0.0209026422,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Tb,36.0,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Tb +mp-980937,Tb2Co12P7,-7.1066983538,-0.7990001021,0.0,-0.0053265635,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Tb,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Tb +mp-12039,Gd2Mo2C3,-11.3789609329,-0.3033121932,0.0,-0.1050757396,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Gd-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Gd-Mo +mp-1106263,GdMoC2,-11.0536170594,-0.2088412256,0.0565569434,0.0565569434,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Gd-Mo,16.0,A2BC_oP16_62_2c_c_c:C-Gd-Mo +mp-1079546,Nb2GaC,-8.632301325,-0.5174584263,0.0,-0.0654323647,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-Nb,8.0,ABC2_hP8_194_a_c_f:C-Ga-Nb +mp-1207055,Mn3AlN,-8.358134774,-0.4445114478,0.1892473542,0.1892473542,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Mn-N,5.0,AB3C_cP5_221_a_c_b:Al-Mn-N +mp-1247192,MnAlN2,-8.1673271091,-0.772181866,0.2591043797,0.2591043797,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-Mn-N,64.0,ABC2_oP64_61_2c_2c_4c:Al-Mn-N +mp-1245566,MnAlN2,-8.2009929713,-0.8058477282000001,0.2254385175,0.2254385175,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Mn-N,8.0,ABC2_tI16_122_a_b_d:Al-Mn-N +mp-1246896,Mn3AlN3,-8.4439646371,-0.4095208541,0.3528411925,0.3528411925,GGA,P2_1/m,AB3C3_mP14_11_e_3e_3e:Al-Mn-N,14.0,"Invalid WP multiplicities - AB3C3_mP14_11_e_6e_6e:Al-Mn-N, expected Mn6AlN6 to be Mn3AlN3" +mp-1247208,Mn3Al3N5,-7.8312854864,-0.5217174872,0.5395663625,0.5395663625,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Al-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Al-Mn-N +mp-1245638,MnAl2N3,-7.9912838275,-1.0475085397,0.1681479592,0.1681479592,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Al-Mn-N,12.0,A2BC3_oC24_36_b_a_ab:Al-Mn-N +mp-3776,Er2Mo2C3,-8.7360389229,-0.3770768775,0.0,-0.1222148276,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Er-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Er-Mo +mp-1077960,Er2Mo2C3,-8.70200091,-0.3430388646,0.0340380129,-0.0881768148,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Er-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Er-Mo +mp-1188769,ErMoC2,-8.7422859056,-0.2746109294,0.0553313384,0.0553313384,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Er-Mo,16.0,A2BC_oP16_62_2c_c_c:C-Er-Mo +mp-1219523,ReMoC2,-9.86875483,0.56812224,0.6212460538,0.6212460538,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Mo-Re,4.0,A2BC_hR12_166_c_a_b:C-Mo-Re +mp-1190846,Re2Mo3C,-11.0987957029,0.0103159958,0.0721596396,0.0721596396,GGA,P4_132,AB3C2_cP24_213_a_d_c:C-Mo-Re,24.0,AB3C2_cP24_213_a_d_c:C-Mo-Re +mp-1219541,ReMo2C,-10.59763616,0.2434870644,0.3278988112,0.3278988112,GGA,R3m,AB2C_hR12_160_a_2a_a:C-Mo-Re,4.0,AB2C_hR12_160_a_2a_a:C-Mo-Re +mp-28744,Y4OsBr4,-6.3762110511,-1.5645038063,0.0,-0.0566547014,GGA,C2/c,A4BC4_mC36_15_2f_e_2f:Br-Os-Y,18.0,"Invalid WP multiplicities - A4BC4_mC36_15_3f_e_4f:Br-Os-Y, expected Y8OsBr6 to be Y4OsBr4" +mp-1097430,MnRu2W,-6.462450485,3.7047871655,3.7511144772,3.7511144772,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ru-W,4.0,AB2C_oI8_71_a_e_b:Mn-Ru-W +mp-631311,IrOsW,-10.40781385,0.60016343,0.8089155383000001,0.8089155383000001,GGA,F-43m,ABC_cF12_216_a_c_b:Ir-Os-W,3.0,ABC_cF12_216_a_c_b:Ir-Os-W +mp-505435,Gd2Br3N,-9.0954884225,-2.23751769,0.0,-0.063695845,GGA,P-1,A3B2C_aP24_2_6i_4i_2i:Br-Gd-N,24.0,A3B2C_aP24_2_6i_4i_2i:Br-Gd-N +mp-37216,CdPbF6,-4.3751779038,-2.3621265744,0.0,-0.0574383012,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Pb,8.0,AB6C_hR24_148_a_f_b:Cd-F-Pb +mp-1216009,YLuGa6,-4.1453097712,-0.5008100502,0.0180389738,0.0180389738,GGA,P6_3/mmc,A6BC_hP16_194_gh_a_c:Ga-Lu-Y,16.0,A6BC_hP16_194_gh_a_c:Ga-Lu-Y +mp-1226855,Ce3YRh4,-7.4955835987,-0.7802123415000001,0.0124852888,0.0124852888,GGA,Pmm2,A3B4C_oP8_25_abc_abcd_d:Ce-Rh-Y,8.0,A3B4C_oP8_25_abc_abcd_d:Ce-Rh-Y +mp-1226611,CeY4Rh5,-7.677039606,-0.8149883102000001,0.021200257,0.021200257,GGA,P4/mmm,AB5C4_tP10_123_a_d2h_2g:Ce-Rh-Y,10.0,"Invalid WP multiplicities - AB5C4_tP10_123_a_d4h_3g:Ce-Rh-Y, expected Ce(Y2Rh3)3 to be CeY4Rh5" +mp-1226466,CeYRh4,-7.6777560817,-0.7016241236,0.0207617075,0.0207617075,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Rh-Y,6.0,AB4C_cF24_216_a_e_c:Ce-Rh-Y +mp-631513,KBa2Re,-3.0774288975,1.2707901055,1.2707901055,1.2707901055,GGA,F-43m,A2BC_cF16_216_ac_b_d:Ba-K-Re,4.0,A2BC_cF16_216_ac_b_d:Ba-K-Re +mp-1185155,KBa3,-1.6252744088000002,0.091556533,0.091556533,0.091556533,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-K,8.0,A3B_hP8_194_h_c:Ba-K +mp-1185072,KBa3,-1.6048034875,0.1120274543,0.1120274543,0.1120274543,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-K,4.0,A3B_cF16_225_ac_b:Ba-K +mp-1184910,K3Ba,-1.184264025,0.1282789202,0.1282789202,0.1282789202,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-K,4.0,AB3_tI8_139_a_bd:Ba-K +mp-1184864,K3Ba,-1.19760459,0.1149383552,0.1149383552,0.1149383552,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-K,4.0,AB3_cP4_221_a_c:Ba-K +mp-1184887,K3Ba,-1.1834836275,0.1290593177,0.1290593177,0.1290593177,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-K,4.0,AB3_cF16_225_a_bc:Ba-K +mp-11547,YTlPd,-5.3363568944,-0.6666915378,0.0,-0.0438182993,GGA,P-62m,ABC_hP9_189_ad_g_f:Pd-Tl-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Pd-Tl-Y, expected Y3Tl3Pd5 to be YTlPd" +mp-1093637,YTlPd2,-3.553298235,1.243921235,1.9248558175,1.9248558175,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Tl-Y,4.0,A2BC_oI8_71_e_a_b:Pd-Tl-Y +mp-1095920,Y2NiPd,-4.124346255,1.8488939242,2.5200094056,2.5200094056,GGA,Immm,ABC2_oI8_71_a_b_e:Ni-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Ni-Pd-Y +mp-580597,CsCrI3,-4.0614037855,-1.0676940071,0.0565695775,0.0565695775,GGA,Pbcn,ABC3_oP20_60_a_c_cd:Cr-Cs-I,20.0,"Invalid WP multiplicities - ABC3_oP20_60_a_c_2c3d:Cr-Cs-I, expected CsCrI8 to be CsCrI3" +mp-1172893,CsCrI3,-3.5647090385,-0.5709992601,0.5532643245000001,0.5532643245000001,GGA,Cmcm,ABC3_oC20_63_a_c_cg:Cr-Cs-I,20.0,"Invalid WP multiplicities - ABC3_oC20_63_a_c_3c4g:Cr-Cs-I, expected CsCrI11 to be CsCrI3" +mp-27259,CsCrI3,-4.058775547,-1.0650657686,0.059197816,0.059197816,GGA,P6_3/mmc,ABC3_hP10_194_a_c_h:Cr-Cs-I,10.0,ABC3_hP10_194_a_c_h:Cr-Cs-I +mp-541738,Cs3Cr2I9,-3.7081932054,-1.1901504049,0.0144177214,-0.0006680356,GGA,R-3c,A2B3C9_hR84_167_c_e_ef:Cr-Cs-I,28.0,A2B3C9_hR84_167_c_e_ef:Cr-Cs-I +mp-621938,Cs3Cr2I9,-3.7226109268,-1.2045681263,0.0,-0.015085757,GGA,P6_3/mmc,A2B3C9_hP28_194_f_bf_hk:Cr-Cs-I,28.0,"Invalid WP multiplicities - A2B3C9_hP28_194_f_2b3f_4h5k:Cr-Cs-I, expected Cs4CrI21 to be Cs3Cr2I9" +mp-36520,CsCrI2,-4.149602715,-0.7758070795,0.3670468581,0.3670468581,GGA,Cmcm,ABC2_oC16_63_a_c_g:Cr-Cs-I,8.0,ABC2_oC16_63_a_c_g:Cr-Cs-I +mp-1208807,Sr3SbI3,-3.6828986314,-1.7375299671,0.0,-0.0727779497,GGA,I4_132,A3BC3_cI56_214_h_a_g:I-Sb-Sr,28.0,A3BC3_cI56_214_h_a_g:I-Sb-Sr +mp-36508,SnHgF6,-4.383009995,-2.4102442419,0.0,-0.0767249263,GGA,R-3,A6BC_hR24_148_f_a_b:F-Hg-Sn,8.0,A6BC_hR24_148_f_a_b:F-Hg-Sn +mp-1079584,U2InIr2,-9.069174282,-0.46689986,0.0,-0.06932841,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ir-U,10.0,AB2C2_tP10_127_a_g_h:In-Ir-U +mp-29751,CsMgI3,-2.910670538,-1.5275142436,0.0,-0.014648054,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-I-Mg,10.0,AB3C_hP10_194_c_h_a:Cs-I-Mg +mp-530709,TlW3Br7,-5.6969172347,-0.9598052213,0.0,-0.0026262828,GGA,Pnnn,A7BC3_oP88_48_7m_abe_3m:Br-Tl-W,88.0,"Invalid WP multiplicities - A7BC3_oP88_48_25m_2a2b2e_9m:Br-Tl-W, expected Tl2W9Br25 to be TlW3Br7" +mp-1245767,Ca2IrN3,-6.7591597079,-0.4493065887,0.2258467438,0.2258467438,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ca-Ir-N,24.0,A2BC3_oC48_64_2f_f_e2f:Ca-Ir-N +mp-1246155,Ca3Ir3N5,-7.0922645491,-0.3454848395,0.2252823345,0.2252823345,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Ir-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Ir-N +mp-1245702,Ca5(IrN3)2,-6.6179536846,-0.6391969685000001,0.0778466249,0.0778466249,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ca-Ir-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ca-Ir-N +mp-1246379,Ca11(IrN5)2,-5.9518647022,-0.5995422548,0.2115669386,0.2115669386,GGA,P4_2/mnm,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Ir-N,46.0,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Ir-N +mp-1245808,Ca4IrN4,-6.2951457067,-0.7166108844,0.0605301756,0.0605301756,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ca-Ir-N,18.0,A4BC4_aP18_2_4i_i_4i:Ca-Ir-N +mp-1246576,Ca4IrN4,-6.1082836908,-0.5297488686,0.2473921915,0.2473921915,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:Ca-Ir-N,36.0,A4BC4_oP36_62_4c_c_4c:Ca-Ir-N +mp-1245385,Ca7IrN6,-5.9892769875,-0.7823767811,0.0505690695,0.0505690695,GGA,Ibam,A7BC6_oI56_72_ajk_b_jk:Ca-Ir-N,28.0,A7BC6_oI56_72_ajk_b_jk:Ca-Ir-N +mp-1245765,CaIrN2,-7.1300366352,-0.2507806577,0.3060990723,0.3060990723,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ca-Ir-N,64.0,ABC2_oP64_61_2c_2c_4c:Ca-Ir-N +mp-1245650,CaIrN2,-7.280629085,-0.4013731075,0.1555066225,0.1555066225,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Ir-N,4.0,ABC2_hR12_166_a_b_c:Ca-Ir-N +mp-1246127,Ca3(IrN2)2,-6.7896940411,-0.4519554078,0.2007469333,0.2007469333,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Ir-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-Ir-N +mp-1246583,Ca3(IrN2)2,-6.8019705294,-0.4642318961,0.188470445,0.188470445,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ca-Ir-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ca-Ir-N +mp-1219071,SmEuB12,-7.270751505,-0.4758737061,0.0,-0.0101754807,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Eu-Sm,14.0,A12BC_cF56_225_g_a_b:B-Eu-Sm +mp-770574,La2MgI8,-3.7741486959,-1.6596736905,0.0671037132,0.0671037132,GGA,C2/c,A8B2C_mC44_15_4f_f_e:I-La-Mg,22.0,"Invalid WP multiplicities - A8B2C_mC44_15_15f_f_e:I-La-Mg, expected La2MgI30 to be La2MgI8" +mp-770579,LaMgI5,-3.5398416289,-1.5536817854,0.0918445582,0.0918445582,GGA,P2_1,A5BC_mP28_4_10a_2a_2a:I-La-Mg,28.0,"Invalid WP multiplicities - A5BC_mP28_4_19a_3a_3a:I-La-Mg, expected La3Mg3I19 to be LaMgI5" +mp-859877,LaMgI5,-3.5567529407,-1.5705930971000002,0.0749332464,0.0749332464,GGA,Cc,A5BC_mC28_9_5a_a_a:I-La-Mg,14.0,"Invalid WP multiplicities - A5BC_mC28_9_10a_a_a:I-La-Mg, expected LaMgI10 to be LaMgI5" +mp-770494,LaMgI5,-3.5371198857,-1.5509600421,0.0945663014,0.0945663014,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:I-La-Mg,28.0,"Invalid WP multiplicities - A5BC_mP28_14_19e_e_e:I-La-Mg, expected LaMgI19 to be LaMgI5" +mp-772116,LaMgI5,-3.5607484664,-1.5745886229,0.0709377207,0.0709377207,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:I-La-Mg,28.0,"Invalid WP multiplicities - A5BC_mP28_14_17e_e_e:I-La-Mg, expected LaMgI17 to be LaMgI5" +mp-756448,LaMgI5,-3.6137511821,-1.6275913386,0.017935005,0.017935005,GGA,Pnma,A5BC_oP28_62_5c_c_c:I-La-Mg,28.0,"Invalid WP multiplicities - A5BC_oP28_62_17c_c_c:I-La-Mg, expected LaMgI17 to be LaMgI5" +mp-756578,LaMgI5,-3.6163008907,-1.6301410471,0.0153852964,0.0153852964,GGA,Cmcm,A5BC_oC28_63_c2f_c_a:I-La-Mg,14.0,"Invalid WP multiplicities - A5BC_oC28_63_2c4f_c_a:I-La-Mg, expected LaMgI10 to be LaMgI5" +mp-985439,BaPAu,-4.411192355,-0.8758058728,0.0,-0.1033390142,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Ba-P,6.0,ABC_hP6_194_c_a_d:Au-Ba-P +mp-1093925,Ba2PAu,-2.7479310825,0.3833525142,1.2750843774,1.2750843774,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Ba-P,4.0,AB2C_oI8_71_a_e_b:Au-Ba-P +mp-1104130,Ba(P2Au)2,-4.7779142471,-0.4750643948,0.0,-0.0250241688,GGA,Fddd,A2BC4_oF56_70_e_a_h:Au-Ba-P,14.0,A2BC4_oF56_70_e_a_h:Au-Ba-P +mp-1199731,Ba4P15Au8,-4.7256076108,-0.4638856345,0.0209061429,0.0209061429,GGA,Pbcn,A8B4C15_oP216_60_8d_ac3d_15d:Au-Ba-P,216.0,A8B4C15_oP216_60_8d_ac3d_15d:Au-Ba-P +mp-20706,EuPPd,-8.03666878,-1.0866067411,0.0,-0.1863736025,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Eu-P-Pd,6.0,ABC_hP6_194_a_c_d:Eu-P-Pd +mp-581754,Eu(PPd)2,-7.18666454,-0.8979904533,0.0,-0.0662228477,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Eu-P-Pd +mp-1218890,Sr(B2Pt3)2,-6.3175633791,-0.4235760648,0.0,-0.0645034051,GGA,P-3m1,A4B6C_hP11_164_2d_i_a:B-Pt-Sr,11.0,A4B6C_hP11_164_2d_i_a:B-Pt-Sr +mp-1183142,AcMgO3,-7.120950934,-3.0086466957,0.0821852571,0.0821852571,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Mg-O,5.0,ABC3_cP5_221_a_b_c:Ac-Mg-O +mp-1215258,ZrBeB,-6.9052184633,-0.5830500414,0.0070662133,0.0070662133,GGA,P-6m2,ABC_hP3_187_a_c_f:B-Be-Zr,3.0,ABC_hP3_187_a_c_f:B-Be-Zr +mp-27261,Ba7(BIr)12,-6.9290677594000005,-0.4888504694,0.0,-0.0049750639,GGA,R-3m,A12B7C12_hR93_166_2f_ah_gh:B-Ba-Ir,31.0,A12B7C12_hR93_166_2f_ah_gh:B-Ba-Ir +mp-12073,Ba(BIr)2,-7.090929954,-0.5000045857000001,0.0,-0.0441077677,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:B-Ba-Ir,5.0,A2BC2_tI10_139_e_a_d:B-Ba-Ir +mp-1247233,Al4Te3N2,-5.3673136411,-0.8022902133,0.2932738907,0.2932738907,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Al-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Al-N-Te +mp-18036,Th(NiP)2,-7.008557771,-1.0484104463,0.0,-0.1339056407,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Ni-P-Th,20.0,A2B2C_oP20_62_2c_2c_c:Ni-P-Th +mp-505249,Th(NiP)2,-6.984238821,-1.0240914963,0.02431895,-0.1095866907,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ni-P-Th,10.0,A2B2C_tP10_129_ac_bc_c:Ni-P-Th +mp-1219190,Sm3HoS4,-6.67511888,-2.2646230372,0.0,-0.00334651,GGA,R-3m,AB4C3_hR24_166_a_2c_bc:Ho-S-Sm,8.0,"Invalid WP multiplicities - AB4C3_hR24_166_a_4c_b2c:Ho-S-Sm, expected Sm5HoS8 to be Sm3HoS4" +mp-1206877,Lu3PbC,-5.868060386,-0.5672275615,0.0,-0.1444363116,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Lu-Pb,5.0,AB3C_cP5_221_b_c_a:C-Lu-Pb +mp-1189616,Ta3FeS6,-8.1763734275,-1.2901680974,0.0,-0.0040884576,GGA,P6_322,AB6C3_hP20_182_c_i_af:Fe-S-Ta,20.0,AB6C3_hP20_182_c_i_af:Fe-S-Ta +mp-554416,Ta4FeS8,-8.1646507073,-1.3190560408,0.0,-0.0072815377,GGA,P6_3/mmc,AB8C4_hP26_194_a_fk_bh:Fe-S-Ta,26.0,"Invalid WP multiplicities - AB8C4_hP26_194_a_3f3k_bh:Fe-S-Ta, expected Ta4FeS24 to be Ta4FeS8" +mp-1218020,Ta2FeS4,-8.1027864843,-1.1411613504,0.087570171,0.087570171,GGA,P-3m1,AB4C2_hP7_164_a_2d_c:Fe-S-Ta,7.0,AB4C2_hP7_164_a_2d_c:Fe-S-Ta +mp-3652,Ta9(FeS3)2,-9.6581992082,-0.9241556617,0.0,-0.0564408255,GGA,P-62m,A2B6C9_hP34_189_h_fgi_ijk:Fe-S-Ta,34.0,A2B6C9_hP34_189_h_fgi_ijk:Fe-S-Ta +mp-615821,Ta9(FeS3)2,-9.6382716941,-0.9042281476,0.0199275141,-0.0365133114,GGA,P-62m,A2B6C9_hP17_189_c_fg_fk:Fe-S-Ta,17.0,"Invalid WP multiplicities - A2B6C9_hP17_189_c_2fg_3f3k:Fe-S-Ta, expected Ta27Fe2S9 to be Ta9(FeS3)2" +mp-22351,NbRu3C,-9.460155762,-0.0295201315,0.1701654348,0.1701654348,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Nb-Ru,5.0,ABC3_cP5_221_b_a_c:C-Nb-Ru +mp-1219074,SmDyC4,-7.87616605,-0.1694935592,0.0393078122,0.0393078122,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-Dy-Sm,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-Dy-Sm, expected SmDyC8 to be SmDyC4" +mp-569480,URe2,-12.079117435,-0.0189626417,0.0,-0.0189626417,GGA,Cmcm,A2B_oC24_63_acg_f:Re-U,12.0,"Invalid WP multiplicities - A2B_oC24_63_2a2c2g_f:Re-U, expected URe4 to be URe2" +mp-19890,URe2,-12.062816335,-0.0026615417,0.0163011,-0.0026615417,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-U,12.0,A2B_hP12_194_ah_f:Re-U +mp-1217394,ThURe4,-11.4203487025,-0.0064525358,0.0512156604,0.0512156604,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Re-Th-U,12.0,A4BC_hP12_164_abi_d_d:Re-Th-U +mp-1217531,ThU3Re8,-11.752045715,-0.015020235,0.023295184,0.023295184,GGA,Cm,A8BC3_mC24_8_4a2b_a_3a:Re-Th-U,12.0,"Invalid WP multiplicities - A8BC3_mC24_8_4a3b_a_3a:Re-Th-U, expected ThU3Re10 to be ThU3Re8" +mp-31361,EuIBr,-6.6046461608,-2.1768473342,0.0123321813,0.0123321813,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Eu-I,12.0,ABC_oP12_62_c_c_c:Br-Eu-I +mp-567291,Gd3OsO7,-11.1559403852,-3.1484353735,0.0,-0.0432709014,GGA,Pna2_1,A3B7C_oP88_33_6a_14a_2a:Gd-O-Os,88.0,"Invalid WP multiplicities - A3B7C_oP88_33_20a_54a_5a:Gd-O-Os, expected Gd20Os5O54 to be Gd3OsO7" +mp-16825,Gd3OsO7,-11.152503,-3.1449979883,0.0034373852,-0.0398335161,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Gd-O-Os,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_2a2g_2c3g4h_b:Gd-O-Os, expected Gd6OsO24 to be Gd3OsO7" +mp-1217031,U(Fe5Re)2,-9.2959918915,0.0025216838,0.0288986628,0.0288986628,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Re-U,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Re-U +mp-756030,GdTmO3,-10.605396298,-3.9269915386,0.0678473968,0.0678473968,GGA,Pnma,AB3C_oP20_62_c_cd_a:Gd-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Gd-O-Tm, expected GdTmO7 to be GdTmO3" +mp-1225892,CsN3,-6.8830501625,-0.4068283757,0.0112978125,-0.4068283757,GGA,P4/mmm,AB3_tP4_123_c_bg:Cs-N,4.0,AB3_tP4_123_c_bg:Cs-N +mp-510557,CsN3,-6.8943479750000005,-0.4181261882,0.0,-0.4181261882,GGA,I4/mcm,AB3_tI16_140_a_dh:Cs-N,8.0,"Invalid WP multiplicities - AB3_tI16_140_a_2dh:Cs-N, expected CsN4 to be CsN3" +mp-1104441,CsN2,-5.610847435,0.2452833057,0.6169510286000001,0.6169510286000001,GGA,P4/mbm,AB2_tP12_127_g_bch:Cs-N,12.0,AB2_tP12_127_g_bch:Cs-N +mp-1059879,CsN,-3.360555935,1.2553927135,1.5341435057,1.5341435057,GGA,Pm-3m,AB_cP2_221_a_b:Cs-N,2.0,AB_cP2_221_a_b:Cs-N +mp-1193676,Cs3Sm2N9,-4.8696540904,1.355476889,2.1076677526,2.1076677526,GGA,R-3c,A3B9C2_hR84_167_e_ef_c:Cs-N-Sm,28.0,A3B9C2_hR84_167_e_ef_c:Cs-N-Sm +mp-749,SmN,-8.18458078,-1.65704025,0.0,-1.65704025,GGA,Fm-3m,AB_cF8_225_a_b:N-Sm,2.0,AB_cF8_225_a_b:N-Sm +mp-1188060,Yb3Np,-3.849348035,0.5423030953,0.5423030953,0.5423030953,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Yb,,AB3_cP4_221_a_c:Np-Yb +mp-1209022,Yb6NpO12,-7.0210976705,-2.7292190444,0.1990542255,0.1990542255,GGA,P-1,AB12C6_aP19_2_a_6i_3i:Np-O-Yb,,AB12C6_aP19_2_a_6i_3i:Np-O-Yb +mp-1238918,Yb6NpO12,-6.9438459374,-2.6519673112,0.2763059587,0.2763059587,GGA,P-1,AB12C6_aP19_2_a_6i_3i:Np-O-Yb,,AB12C6_aP19_2_a_6i_3i:Np-O-Yb +mp-981548,YErTl2,-4.282244475,-0.3423754208,0.0,-0.004233035,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Er-Tl-Y +mp-1187857,YLuHg2,-3.3858313725,-0.4871357817,0.00690519,0.00690519,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Lu-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Lu-Y +mp-21337,U2SnPd2,-7.660210686,-0.269779587,0.1290203532,0.1290203532,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Pd-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Pd-Sn-U +mp-1189621,USnPd2,-6.7885774456,-0.3733910744,0.1077190577,0.1077190577,GGA,Pnma,A2BC_oP16_62_2c_c_c:Pd-Sn-U,16.0,A2BC_oP16_62_2c_c_c:Pd-Sn-U +mp-1217069,USnPd,-7.108127395,-0.2811728367,0.142929765,0.0733705925,GGA,P6/mmm,ABC_hP6_191_c_d_e:Pd-Sn-U,6.0,ABC_hP6_191_c_d_e:Pd-Sn-U +mp-20762,USnPd,-7.25105716,-0.4241026017,0.0,-0.0695591725,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Pd-Sn-U,6.0,ABC_hP6_194_c_d_a:Pd-Sn-U +mp-978911,TbYHg2,-3.4210383125,-0.4939888267,0.007027885,0.007027885,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tb-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Tb-Y +mp-15059,GdSnF7,-7.0364566419,-3.5402292122,0.0,-0.2070319964,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Gd-Sn,36.0,A7BC_mP36_14_7e_e_e:F-Gd-Sn +mp-1245716,MgReN2,-8.0084187025,-0.3289694312,0.1350651801,0.1350651801,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Re,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Re +mp-1029627,Mg2ReN3,-7.3497187096,-0.5739566996000001,0.0,-0.0316890058,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Mg-N-Re,24.0,A2B3C_mC48_15_2f_2e2f_f:Mg-N-Re +mp-1185144,KTh3,-5.1574625638,0.6805308605,0.6805308605,0.6805308605,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Th,8.0,AB3_hP8_194_c_h:K-Th +mp-1185172,K3Th,-1.7305368575000002,0.9557269152,0.9557269152,0.9557269152,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Th,4.0,A3B_tI8_139_ad_b:K-Th +mp-1185177,K3Th,-1.7226029025,0.9636608702,0.9636608702,0.9636608702,GGA,Pm-3m,A3B_cP4_221_c_a:K-Th,4.0,A3B_cP4_221_c_a:K-Th +mp-1185141,K3Th,-1.72792868,0.9583350927,0.9583350927,0.9583350927,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Th,4.0,A3B_cF16_225_ac_b:K-Th +mp-1223885,K(ThTe3)2,-5.2466983956,-1.380259417,0.0,-0.0870470961,GGA,Amm2,AB6C2_oC18_38_a_ab2c_ab:K-Te-Th,9.0,"Invalid WP multiplicities - AB6C2_oC18_38_a_ab4c_ab:K-Te-Th, expected K(ThTe5)2 to be K(ThTe3)2" +mp-1087537,CrPPd,-7.1016079022,-0.3528639733,0.1151524967,0.1151524967,GGA,P-62m,ABC_hP9_189_f_ad_g:Cr-P-Pd,9.0,ABC_hP9_189_f_ad_g:Cr-P-Pd +mp-1207712,Y2Co12As7,-6.69641918,-0.4656294371,0.0053166443,0.0053166443,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Co-Y,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Co-Y +mp-1207655,YCo5As3,-6.7366704158,-0.5160687155,0.0,-0.0126638324,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:As-Co-Y,36.0,A3B5C_oP36_62_3c_5c_c:As-Co-Y +mp-1222838,LaYNi10,-6.06539212,-0.2984050351,0.0018046083,0.0018046083,GGA,Pmmm,AB10C_oP12_47_a_fgijx_d:La-Ni-Y,12.0,"Invalid WP multiplicities - AB10C_oP12_47_a_fg2ijx_d:La-Ni-Y, expected LaYNi12 to be LaYNi10" +mp-1246778,LiCdN,-3.4909764683,0.2317927156,0.5373565831,0.5373565831,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Cd-Li-N,12.0,ABC_mC24_12_2i_2i_2i:Cd-Li-N +mp-1245579,LiCdN,-3.5693511733000003,0.1534180106,0.4589818781,0.4589818781,GGA,P-6m2,ABC_hP3_187_b_c_a:Cd-Li-N,3.0,ABC_hP3_187_b_c_a:Cd-Li-N +mp-1246691,Zr(MnN)4,-9.3720129061,-0.6451527396,0.1153347853,0.1153347853,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mn-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Mn-N-Zr +mp-1247538,ZrMnN2,-9.6625861794,-1.0669097364,0.1022521156,0.1022521156,GGA,Pnma,AB2C_oP16_62_c_2c_c:Mn-N-Zr,16.0,AB2C_oP16_62_c_2c_c:Mn-N-Zr +mp-1245560,ZrMnN2,-9.61791603,-1.022239587,0.146922265,0.146922265,GGA,R-3m,AB2C_hR12_166_a_c_b:Mn-N-Zr,4.0,AB2C_mC8_12_a_i_d:Mn-N-Zr +mp-631524,BTe2As,-3.260943325,1.1453371656,1.2027740965,1.2027740965,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-B-Te,4.0,ABC2_cF16_225_a_b_c:As-B-Te +mp-3245,SnP7Au3,-4.8060809555,-0.1038686462,0.0,-0.0201956294,GGA,P2_1/m,A3B7C_mP22_11_ef_e3f_e:Au-P-Sn,22.0,"Invalid WP multiplicities - A3B7C_mP22_11_ef_e4f_e:Au-P-Sn, expected Sn(P3Au)3 to be SnP7Au3" +mp-1206478,Eu(MgP)2,-5.83380984,-0.9769764573,0.0,-0.2258642995,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-Mg-P,5.0,AB2C2_hP5_164_a_d_d:Eu-Mg-P +mp-28998,Sn5(BIr3)2,-6.9386912623,-0.2896721933,0.0,-0.0019083008,GGA,P-62m,A2B6C5_hP13_189_ab_i_cg:B-Ir-Sn,13.0,"Invalid WP multiplicities - A2B6C5_hP13_189_ab_i_2cg:B-Ir-Sn, expected Sn7(BIr3)2 to be Sn5(BIr3)2" +mp-28999,Sn4B3Ir7,-7.2830029604,-0.2868956752,0.0,-0.0316094134,GGA,P6_3/m,A3B7C4_hP28_176_h_bi_ch:B-Ir-Sn,28.0,"Invalid WP multiplicities - A3B7C4_hP28_176_h_b2i_2c2h:B-Ir-Sn, expected Sn8B3Ir13 to be Sn4B3Ir7" +mp-1097243,KBaHg2,-0.344924615,0.5642590392,0.9547695294,0.9547695294,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-K,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-K +mp-540986,Nd2Ni7P4,-6.3569506646,-0.8453766914,0.0,-0.0124587505,GGA,Pmn2_1,A2B7C4_oP26_31_2a_7a_4a:Nd-Ni-P,26.0,"Invalid WP multiplicities - A2B7C4_oP26_31_3a_14a_8a:Nd-Ni-P, expected Nd3(Ni7P4)2 to be Nd2Ni7P4" +mp-1220848,Nd3Ni7P5,-6.3820976017,-0.9266368289,0.0147272763,0.0147272763,GGA,Pm,A3B7C5_mP60_6_6a6b_13a15b_10a10b:Nd-Ni-P,60.0,A3B7C5_mP60_6_6a6b_13a15b_10a10b:Nd-Ni-P +mp-1102901,NdNiP,-6.4683432233,-1.1478143503,0.0,-0.0669862468,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Nd-Ni-P,12.0,ABC_hP12_194_ab_f_f:Nd-Ni-P +mp-1212241,Nd8Ni18P11,-6.377329618,-0.9250602322,0.0,-0.0073345042,GGA,P-6m2,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Nd-Ni-P,74.0,A8B18C11_hP74_187_aj2kl_3j3kl2m_cj2klm:Nd-Ni-P +mp-1213537,Nd25Ni49P33,-6.3953126899,-0.9647578689,0.0010214619,0.0010214619,GGA,P-6m2,A25B49C33_hP107_187_aj3klm_c3j3k3l2m_2j3k2lm:Nd-Ni-P,107.0,A25B49C33_hP107_187_aj3klm_c3j3k3l2m_2j3k2lm:Nd-Ni-P +mp-1191438,Nd2Ni12P7,-6.303732731,-0.7422540371,0.0,-0.0219000407,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Nd-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Nd-Ni-P +mp-1210070,Nd2Ni12P5,-6.2623084432,-0.6852322559,0.0,-0.0140473766,GGA,P2_1/m,A2B12C5_mP38_11_2e_12e_5e:Nd-Ni-P,38.0,A2B12C5_mP38_11_2e_12e_5e:Nd-Ni-P +mp-1210112,Nd6Ni20P13,-6.3720685277,-0.8699005589000001,0.0,-0.0106769266,GGA,P-6,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Nd-Ni-P,39.0,A6B20C13_hP39_174_jk_ad3j3k_e2j2k:Nd-Ni-P +mp-569974,Nd(NiP)2,-6.418344396,-0.9873392348,0.0,-0.0513479123,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Nd-Ni-P +mp-1210437,Nd9(Ni13P6)2,-6.271531073,-0.7788393570000001,0.0267052087,0.0267052087,GGA,P-6m2,A9B26C12_hP47_187_2jk_adj3klm_2jm:Nd-Ni-P,47.0,A9B26C12_hP47_187_2jk_adj3klm_2jm:Nd-Ni-P +mp-1207857,Y6Ta4Al43,-4.9763916561,-0.3105482997,0.0,-0.0159685616,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Y,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ta-Y +mp-4324,Tm2CdS4,-5.7356267686,-1.9612896151,0.0,-0.0101741955,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-S-Tm,14.0,AB4C2_cF56_227_a_e_d:Cd-S-Tm +mp-1216548,Tm4CdS7,-6.0495429425,-2.0677612324,0.0671683955,0.0671683955,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cd-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Cd-S-Tm +mp-1228745,AsRhS,-6.165460275,-0.7788348944,0.0,-0.1625844828,GGA,P2_13,ABC_cP12_198_a_a_a:As-Rh-S,12.0,ABC_cP12_198_a_a_a:As-Rh-S +mp-1018636,SnPd3C,-5.635662036,0.1199145195,0.5334003645000001,0.5334003645000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pd-Sn,5.0,AB3C_cP5_221_b_c_a:C-Pd-Sn +mp-13071,Sc2TlC,-6.5703989275,-0.5063372152,0.0116917258,0.0116917258,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Sc-Tl,8.0,AB2C_hP8_194_a_f_c:C-Sc-Tl +mp-4230,Sc3TlC,-6.73937792,-0.6216347292000001,0.0,-0.21148719,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Sc-Tl,5.0,AB3C_cP5_221_b_c_a:C-Sc-Tl +mp-865250,TmTc2W,-9.584835935,-0.0460250492,0.1400693388,0.1400693388,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-Tm-W,4.0,A2BC_cF16_225_c_a_b:Tc-Tm-W +mp-1102307,Zr2V3Ru,-9.1946528633,-0.2577325283,0.0,-0.03853952,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Ru-V-Zr,12.0,AB3C2_hP12_194_a_h_f:Ru-V-Zr +mp-1207045,Ca2Br2F,-3.483956948,-1.6782098705,1.064082724,1.064082724,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Ca-F,5.0,A2B2C_tP5_123_g_g_a:Br-Ca-F +mp-1214632,Ba3SbI3,-3.8451363836,-1.8014185107,0.0,-0.0707882194,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ba-I-Sb,28.0,A3B3C_cI56_214_g_h_a:Ba-I-Sb +mp-1097360,Ba2SbI,-2.687930485,-0.3278511175,1.1786933534,1.1786933534,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-I-Sb,4.0,A2BC_oI8_71_e_a_b:Ba-I-Sb +mp-1209872,NdZr2F11,-7.2150195289,-4.1514611479,0.0,-0.0060379083,GGA,Ibam,A11BC2_oI56_72_cj2k_b_j:F-Nd-Zr,28.0,A11BC2_oI56_72_cj2k_b_j:F-Nd-Zr +mp-1209866,NdZr3F15,-7.2193257853,-4.1096713729,0.0025882525,0.0025882525,GGA,R3m,A15BC3_hR57_160_3bc_a_b:F-Nd-Zr,19.0,A15BC3_hR57_160_3bc_a_b:F-Nd-Zr +mp-1209895,NdZrF7,-7.1827541278,-4.2165095906,0.0090859628,0.0090859628,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Nd-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Nd-Zr +mp-676572,NdPb6F15,-5.5003075705,-2.967752372,0.0424116298,0.0424116298,GGA,Cm,A15BC6_mC44_8_15a_a_6a:F-Nd-Pb,22.0,A15BC6_mC44_8_15a_a_6a:F-Nd-Pb +mp-674506,NdPb7F17,-5.4642909492000005,-2.9342181744,0.0366151082,0.0366151082,GGA,P1,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb,25.0,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb +mp-721795,NdPb7F17,-5.320433606,-2.7903608312,0.1804724514,0.1804724514,GGA,P1,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb,25.0,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb +mp-1377486,NdPb7F17,-5.4300105252,-2.8999377504,0.0708955322,0.0708955322,GGA,P1,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb,25.0,A17BC7_aP25_1_17a_a_7a:F-Nd-Pb +mp-675342,NdPb4F11,-5.6181524125,-3.0778396403,0.0552328591,0.0552328591,GGA,Cm,A11BC4_mC32_8_11a_a_4a:F-Nd-Pb,16.0,A11BC4_mC32_8_11a_a_4a:F-Nd-Pb +mp-675152,NdPb8F19,-5.4046694868,-2.8765471877,0.063383387,0.063383387,GGA,Cm,A19BC8_mC56_8_19a_a_8a:F-Nd-Pb,28.0,A19BC8_mC56_8_19a_a_8a:F-Nd-Pb +mp-676275,Nd2Pb5F16,-5.8126575291,-3.261214325,0.0482051491,0.0482051491,GGA,Cm,A16B2C5_mC46_8_16a_2a_5a:F-Nd-Pb,23.0,A16B2C5_mC46_8_16a_2a_5a:F-Nd-Pb +mp-28458,ErSeI,-5.1650474267,-1.9860485474,0.0,-0.0470943225,GGA,Pmmn,ABC_oP6_59_b_a_a:Er-I-Se,6.0,ABC_oP6_59_b_a_a:Er-I-Se +mp-541365,LiEuH3,-5.0880687,-0.6192481397,0.0,-0.009472341,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-H-Li,5.0,AB3C_cP5_221_a_c_b:Eu-H-Li +mp-1245935,Ca7RuN6,-6.024760358,-0.7867195545,0.0500914929,0.0500914929,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-Ru,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-Ru +mp-1029860,Ca5(RuN3)2,-6.7711974042000005,-0.7253686327000001,0.0,-0.0191161665,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Ru,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Ru +mp-1245609,Ca3(RuN2)2,-6.9883745622,-0.5537540711,0.0938743258,0.0938743258,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ru,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ru +mp-1245598,Ca3(RuN2)2,-7.0127332444,-0.5781127533,0.0695156436,0.0695156436,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ru,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ru +mp-1245785,Ca2RuN3,-6.9793490271,-0.5968345146,0.0745133598,0.0745133598,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-Ru,24.0,A2B3C_oC48_64_2f_e2f_f:Ca-N-Ru +mp-1246068,Ca4RuN4,-6.398346965,-0.7713712139000001,0.0117823746,0.0117823746,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Ru +mp-1246074,Ca4RuN4,-6.0943374161,-0.467361665,0.3157919235,0.3157919235,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Ru,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Ru +mp-1246191,CaRuN2,-7.3887326367,-0.4004845692,0.1563951608,0.1563951608,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Ru,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-Ru +mp-1245782,CaRuN2,-7.3978061775,-0.40955811,0.14732162,0.14732162,GGA,R-3m,AB2C_hR12_166_a_c_b:Ca-N-Ru,4.0,AB2C_hR12_166_a_c_b:Ca-N-Ru +mp-1247052,Ca3Ru3N5,-7.3168111777,-0.4511310064,0.1175604633,0.1175604633,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ru,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ru +mp-1247534,Ca(RuN)2,-7.754850466,-0.309371504,0.13613228,0.13613228,GGA,C2/m,AB2C2_mC10_12_a_i_i:Ca-N-Ru,5.0,AB2C2_mC10_12_a_i_i:Ca-N-Ru +mp-1246606,Ca11(RuN5)2,-5.9398019437,-0.5495692041,0.2662454463,0.2662454463,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Ru,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Ru +mp-1245773,Ca2RuN2,-6.687094744,-0.695376314,0.0094619156,0.0094619156,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ca-N-Ru,,A2B2C_tI10_139_e_e_a:Ca-N-Ru +mp-29178,TePbF6,-4.8613682528,-2.5707649068,0.0,-0.02160431,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:F-Pb-Te,32.0,A6BC_mP32_14_6e_e_e:F-Pb-Te +mp-1184439,EuY3,-7.3263808025,0.0877229825,0.0877229825,0.0877229825,GGA,I4/mmm,AB3_tI8_139_a_bd:Eu-Y,4.0,AB3_tI8_139_a_bd:Eu-Y +mp-1184475,Eu3Y,-9.2383114162,0.0710577121,0.0710577121,0.0710577121,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Y,8.0,A3B_hP8_194_h_c:Eu-Y +mp-1193787,Eu(YSe2)2,-7.5210102475,-2.2104973993,0.0,-0.0027594089,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-Se-Y,28.0,AB4C2_oP28_62_c_4c_2c:Eu-Se-Y +mp-1093840,YInHg2,-1.194635435,1.2617434583,1.64278967,1.64278967,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Y,4.0,A2BC_oI8_71_e_a_b:Hg-In-Y +mp-1096331,Y2InHg,-2.1218826625,1.8751939179,2.37962947,2.37962947,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-In-Y,4.0,ABC2_oI8_71_a_b_e:Hg-In-Y +mp-31471,K3PbAu5,-2.9238476928,-0.322375036,0.0,-0.0222451331,GGA,Imma,A5B3C_oI36_74_agh_eh_e:Au-K-Pb,18.0,"Invalid WP multiplicities - A5B3C_oI36_74_2a3g3h_eh_e:Au-K-Pb, expected K3PbAu14 to be K3PbAu5" +mp-1194253,Hf9W4Se,-10.6318234996,-0.2787425234,0.0023549968,0.0023549968,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-Se-W,28.0,A9BC4_hP28_194_hk_c_ah:Hf-Se-W +mp-1209289,RbGd3F10,-8.6780090268,-4.2263168505,0.0,-0.261526088,GGA,Fm-3m,A10B3C_cF112_225_fh_e_c:F-Gd-Rb,28.0,A10B3C_cF112_225_fh_e_c:F-Gd-Rb +mp-1205530,Rb3GdF6,-6.306282744,-3.4576229177,0.0477454658,0.0477454658,GGA,I4/mmm,A6BC3_tI20_139_ei_a_bd:F-Gd-Rb,10.0,A6BC3_tI20_139_ei_a_bd:F-Gd-Rb +mp-1205532,Rb3GdF6,-6.339819255,-3.4911594287,0.0142089548,0.0142089548,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Gd-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Gd-Rb +mp-1217707,Ti16Hg4C5,-6.1225323012,0.8249045464,1.2436935917,1.2436935917,GGA,P4/mmm,A5B4C16_tP25_123_c2h_2g_abe2g2i:C-Hg-Ti,25.0,"Invalid WP multiplicities - A5B4C16_tP25_123_c3h_3g_ab2e3g6i:C-Hg-Ti, expected Ti36Hg6C7 to be Ti16Hg4C5" +mp-28153,Ca(AuF6)2,-3.8975458067,-1.798138374,0.0,-0.0487391,GGA,P-4m2,A2BC12_tP15_115_g_a_2gl:Au-Ca-F,15.0,"Invalid WP multiplicities - A2BC12_tP15_115_g_a_3gl:Au-Ca-F, expected Ca(AuF7)2 to be Ca(AuF6)2" +mp-1078582,UInPt,-7.1547116044,-0.4499692511,0.0086467104,0.0086467104,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pt-U,9.0,ABC_hP9_189_f_bc_g:In-Pt-U +mp-1079136,U2InPt2,-8.033291925,-0.537937847,0.003509694,-0.0503797383,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pt-U,10.0,AB2C2_tP10_127_a_g_h:In-Pt-U +mp-1188266,U2InPt2,-8.036801619,-0.541447541,0.0,-0.0538894323,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Pt-U,20.0,AB2C2_tP20_136_d_j_fg:In-Pt-U +mp-1079904,UInPt2,-6.9618662538,-0.4155261588,0.1743390913,0.1743390913,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:In-Pt-U,8.0,AB2C_hP8_194_c_f_a:In-Pt-U +mp-1207322,Cu6O,-3.03424749,1.186028043,1.4624264157,1.4624264157,GGA,Cmmm,A6B_oC14_65_kp_a:Cu-O,7.0,A6B_oC14_65_kp_a:Cu-O +mp-1045694,Cu9O13,-5.2673282268,-0.6673367143000001,0.1765137343,0.1765137343,GGA,C2/m,A9B13_mC44_12_a4i_d6i:Cu-O,22.0,A9B13_mC44_12_a4i_c6i:Cu-O +mp-2647102,PuCuO3,-8.737421646,-2.0959994192,0.471741008,0.471741008,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Pu,5.0,AB3C_cP5_221_b_c_a:Cu-O-Pu +mp-1023130,Cu4O3,-5.1693666271,-0.7069533680000001,0.1085484843,0.1085484843,GGA,P4/nmm,A4B3_tP14_129_ab2c_cf:Cu-O,14.0,"Invalid WP multiplicities - A4B3_tP14_129_2a2b2c_c2f:Cu-O, expected Cu6O5 to be Cu4O3" +mp-1478,Cu4O3,-5.2703991536,-0.8079858945,0.0075159579,0.0075159579,GGA,I4_1/amd,A4B3_tI28_141_cd_ae:Cu-O,14.0,A4B3_tI28_141_cd_ae:Cu-O +mp-704745,Cu8O,-4.2229083767,-0.0295370354,0.1854394767,0.1854394767,GGA,Amm2,A8B_oC18_38_2cde_a:Cu-O,9.0,A8B_oC18_38_2cde_a:Cu-O +mp-31217,Cu8O,-4.2907590467,-0.0973877054,0.1175888067,0.1175888067,GGA,Cmmm,A8B_oC18_65_ghn_a:Cu-O,9.0,A8B_oC18_65_ghn_a:Cu-O +mp-361,Cu2O,-5.02663022,-0.6449295363,0.0,-0.0159754767,GGA,Pn-3m,A2B_cP6_224_b_a:Cu-O,6.0,A2B_cP6_224_b_a:Cu-O +mp-1178476,Cu3O4,-5.420668525,-0.8371864029,0.0280027545,0.0280027545,GGA,Ibam,A3B4_oI28_72_ce_fj:Cu-O,14.0,"Invalid WP multiplicities - A3B4_oI28_72_2c3e_4f3j:Cu-O, expected Cu4O7 to be Cu3O4" +mp-1147673,Cu3O4,-5.3823431064000005,-0.7988609843000001,0.066328173,0.066328173,GGA,Fm-3m,A3B4_cF56_225_d_f:Cu-O,14.0,A3B4_cF56_225_d_f:Cu-O +mp-755040,Cu2O3,-5.395485972,-0.7877900772,0.0461023072,-0.0064161013,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Cu-O,20.0,"Invalid WP multiplicities - A2B3_mP20_14_7e_7e:Cu-O, expected CuO to be Cu2O3" +mp-755928,Cu2O3,-5.0674191245,-0.4597232298,0.3741691547,0.3216507462,GGA,P2_1/c,A2B3_mP20_14_2e_3e:Cu-O,20.0,"Invalid WP multiplicities - A2B3_mP20_14_3e_9e:Cu-O, expected CuO3 to be Cu2O3" +mp-760432,Cu2O3,-5.43653378,-0.8288378852,0.0050544993,-0.0474639093,GGA,Fdd2,A2B3_oF40_43_b_ab:Cu-O,10.0,"Invalid WP multiplicities - A2B3_oF40_43_b_2a2b:Cu-O, expected CuO3 to be Cu2O3" +mp-1046820,Cu2O3,-5.2606618725,-0.6529659777,0.1809264068,0.1284079982,GGA,Cmcm,A2B3_oC40_63_2f_ac2f:Cu-O,20.0,A2B3_oC40_63_2f_ac2f:Cu-O +mp-771359,Cu2O3,-5.4415882793,-0.8338923845,0.0,-0.0525184085,GGA,Ia-3,A2B3_cI80_206_ad_e:Cu-O,40.0,"Invalid WP multiplicities - A2B3_cI80_206_3a3d_e:Cu-O, expected Cu2O to be Cu2O3" +mp-704645,CuO,-5.466114125,-0.9431664344,0.000264655,-0.1094258202,GGA,C2/c,AB_mC8_15_c_e:Cu-O,4.0,AB_mC8_15_a_e:Cu-O +mp-510752,CuO,-5.3135940437,-0.7906463531,0.1527847363,0.043094261,GGA,Pnma,AB_oP16_62_2c_2c:Cu-O,16.0,"Invalid WP multiplicities - AB_oP16_62_2c_5c:Cu-O, expected Cu2O5 to be CuO" +mp-1064456,CuO,-5.465298255,-0.9423505644,0.001080525,-0.1086099502,GGA,Cccm,AB_oC8_66_e_a:Cu-O,4.0,AB_oC8_66_e_a:Cu-O +mp-1147768,CuO,-5.18882677,-0.6658790794,0.27755201,0.1678615348,GGA,P4/mmm,AB_tP6_123_ae_bf:Cu-O,6.0,AB_tP6_123_ae_bf:Cu-O +mp-1692,CuO,-5.46637878,-0.9434310894,0.0,-0.1096904752,GGA,P4_2/mmc,AB_tP4_131_c_e:Cu-O,4.0,AB_tP4_131_c_e:Cu-O +mp-510751,CuO,-5.2868445334,-0.7638968428,0.1795342466,0.0698437713,GGA,P4_2/nmc,AB_tP32_137_2g_2g:Cu-O,32.0,"Invalid WP multiplicities - AB_tP32_137_2g_9g:Cu-O, expected Cu2O9 to be CuO" +mp-25229,CuO,-4.876970625,-0.3540229344,0.589408155,0.4797176798,GGA,I4/mmm,AB_tI16_139_h_i:Cu-O,8.0,AB_tI16_139_h_i:Cu-O +mp-1120722,CuO,-5.1309907133,-0.6080430227,0.3353880667,0.2256975914,GGA,Pm-3m,AB_cP6_221_c_d:Cu-O,6.0,AB_cP6_221_c_d:Cu-O +mp-14549,CuO,-5.2952514,-0.7723037094,0.17112738,0.0614369048,GGA,Fm-3m,AB_cF8_225_a_b:Cu-O,2.0,AB_cF8_225_a_b:Cu-O +mp-1213626,Cu64O,-4.1099040562,0.0023407991,0.0321067777,0.0321067777,GGA,Amm2,A64B_oC130_38_8c4d4e8f_a:Cu-O,65.0,A64B_oC130_38_8c4d4e8f_a:Cu-O +mp-654801,CuO2,-5.0653041267,-0.4011094292,0.2938008912,0.2938008912,GGA,C2/m,AB2_mC6_12_a_i:Cu-O,3.0,AB2_mC6_12_a_i:Cu-O +mp-705439,CuO2,-4.04216488,0.6220298175,1.3169401379,1.3169401379,GGA,Pmmm,AB2_oP3_47_a_i:Cu-O,3.0,AB2_oP3_47_a_i:Cu-O +mp-601195,CuO2,-5.0837314,-0.4195367025,0.2753736179,0.2753736179,GGA,Cmcm,AB2_oC12_63_c_f:Cu-O,6.0,AB2_oC12_63_c_f:Cu-O +mp-1181499,CuO2,-5.1633919083,-0.4991972108,0.1957131096,0.1957131096,GGA,Cmcm,AB2_oC12_63_c_2c:Cu-O,6.0,AB2_oC12_63_c_2c:Cu-O +mp-600604,CuO2,-5.08034695,-0.4161522525,0.2787580679,0.2787580679,GGA,Fmmm,AB2_oF12_69_a_g:Cu-O,3.0,AB2_oF12_69_a_g:Cu-O +mp-614565,CuO2,-5.07368754,-0.4094928425,0.2854174779,0.2854174779,GGA,Fmmm,AB2_oF12_69_a_g:Cu-O,3.0,AB2_oF12_69_a_g:Cu-O +mp-25378,CuO2,-5.1948204567,-0.5306257592,0.1642845612,0.1642845612,GGA,R-3m,AB2_hR9_166_a_c:Cu-O,3.0,AB2_hR9_166_a_c:Cu-O +mp-504100,CuO2,-5.18445491,-0.5202602125,0.1746501079,0.1746501079,GGA,Fd-3m,AB2_cF48_227_c_e:Cu-O,12.0,AB2_cF48_227_c_e:Cu-O +mp-1045868,Cu5O7,-5.2739643625,-0.6803931684,0.1717556669,0.1717556669,GGA,Cmcm,A5B7_oC48_63_a2f_c3f:Cu-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Cu-O, expected CuO to be Cu5O7" +mp-1022728,Cu3O2,-5.04216715,-0.6039676635,0.160362494,0.160362494,GGA,I4/mmm,A3B2_tI10_139_ad_c:Cu-O,5.0,A3B2_tI10_139_ad_c:Cu-O +mp-32905,Cu8O7,-5.3119420587,-0.8172437694,0.0664870093,0.0664870093,GGA,C2,A8B7_mC30_5_4c_2ab2c:Cu-O,15.0,"Invalid WP multiplicities - A8B7_mC30_5_7c_2ab4c:Cu-O, expected Cu14O11 to be Cu8O7" +mp-760084,Cu8O7,-5.3268308687,-0.8321325794000001,0.0515981993,0.0515981993,GGA,Cm,A8B7_mC30_8_4a2b_7a:Cu-O,15.0,A8B7_mC30_8_4a2b_7a:Cu-O +mp-1147761,Cu8O7,-5.1660169587,-0.6713186694000001,0.2124121093,0.2124121093,GGA,Fm-3m,A8B7_cF60_225_ce_ad:Cu-O,15.0,"Invalid WP multiplicities - A8B7_cF60_225_2c2e_ad:Cu-O, expected Cu16O7 to be Cu8O7" +mp-1218004,Ta2V3Ge,-9.5124502775,-0.2474000567,0.0,-0.0070499031,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Ge-Ta-V,12.0,AB2C3_hP12_194_a_f_h:Ge-Ta-V +mp-1093567,Y2CdPd,-2.9537840275,1.8051444217,2.4382176538,2.4382176538,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Pd-Y +mp-1207818,Y4CdPd,-5.7863341912,-0.458224854,0.0,-0.018479204,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Pd-Y,24.0,ABC4_cF96_216_e_e_efg:Cd-Pd-Y +mp-1192597,Y10Cd3Pd,-5.4919328343,-0.3052712469,0.0,-0.0072490514,GGA,P6_3/mmc,A3BC10_hP28_194_h_c_ahk:Cd-Pd-Y,28.0,A3BC10_hP28_194_h_c_ahk:Cd-Pd-Y +mp-865520,YCdPd2,-5.1667806575,-0.7294995342,0.0,-0.0388606277,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Cd-Pd-Y +mp-1207113,Rb(PRh)2,-6.036797616,-0.7296466508,0.0,-0.1388624188,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:P-Rb-Rh,5.0,A2BC2_tI10_139_e_a_d:P-Rb-Rh +mp-1102487,Sc(P2Ru3)2,-8.3302413836,-0.7273237135,0.0,-0.0071701986,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:P-Ru-Sc,11.0,A4B6C_hP11_187_ak_jk_c:P-Ru-Sc +mp-17042,Sc2P7Ru12,-8.4290676819,-0.7218826230000001,0.0,-0.0302505178,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:P-Ru-Sc,21.0,"Invalid WP multiplicities - A7B12C2_hP21_174_aj2k_2j3k_cf:P-Ru-Sc, expected Sc2(P2Ru3)5 to be Sc2P7Ru12" +mp-16305,ScPRu,-8.1967308467,-1.1900061294,0.0,-0.1939949335,GGA,P-62m,ABC_hP9_189_ad_g_f:P-Ru-Sc,9.0,ABC_hP9_189_ad_g_f:P-Ru-Sc +mp-30108,P2PbAu2,-4.349969294,-0.1325660773,0.0,-0.0325066593,GGA,Cmcm,A2B2C_oC20_63_ac_f_c:Au-P-Pb,10.0,"Invalid WP multiplicities - A2B2C_oC20_63_2a2c_f_c:Au-P-Pb, expected P2PbAu4 to be P2PbAu2" +mp-1208474,Tb3B7Mo,-7.0661117518,-0.5657034967,0.0,-0.011437147,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Mo-Tb,22.0,A7BC3_oC44_63_c3f_c_cf:B-Mo-Tb +mp-1191349,TbB4Mo,-7.6538017688,-0.6208712199,0.0,-0.0534821216,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mo-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Mo-Tb +mp-1208351,TbB7Mo3,-8.1864907709,-0.5567581504,0.0,-0.0090436211,GGA,Pnma,A7B3C_oP44_62_7c_3c_c:B-Mo-Tb,44.0,A7B3C_oP44_62_7c_3c_c:B-Mo-Tb +mp-865671,Y2ZnIn,-4.6696481275,-0.4335557358,0.0,-0.0038712875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Y-Zn,4.0,AB2C_cF16_225_a_c_b:In-Y-Zn +mp-1224182,HfTiW4,-11.6789082517,-0.0647079239,0.0284038533,0.0284038533,GGA,F-43m,ABC4_cF24_216_a_c_e:Hf-Ti-W,6.0,ABC4_cF24_216_a_c_e:Hf-Ti-W +mp-1209736,PuCrO3,-10.649661856,-2.8974714693,0.0820135707,0.0820135707,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Pu,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Pu +mp-1227043,CaSm2S3,-6.2872797583,-2.3119261332,0.0042676467,0.0042676467,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Ca-S-Sm,6.0,AB3C2_hP6_164_a_bd_d:Ca-S-Sm +mp-36100,Ca(SmS2)2,-6.3608529879,-2.3624856139,0.0141367411,0.0141367411,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ca-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Ca-S-Sm +mp-1202520,Sm2HfS5,-7.2178171622,-2.2082408329,0.0,-0.0115459969,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Hf-S-Sm,32.0,AB5C2_oP32_62_c_3cd_d:Hf-S-Sm +mp-21863,Pd3(PbS)2,-5.0209444586,-0.5583959866,0.0061944614,-0.0201478024,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Pb-Pd-S,7.0,A2B3C2_hR21_166_ab_d_c:Pb-Pd-S +mp-554993,Pd3(PbS)2,-5.02713892,-0.564590448,0.0,-0.0263422638,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Pb-Pd-S,14.0,A2B3C2_cI28_199_a_b_a:Pb-Pd-S +mp-1224912,FeSiW,-9.167685955,-0.216529465,0.1007901125,0.1007901125,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-Si-W, expected Fe2Si2W3 to be FeSiW" +mp-1224954,FeSiW,-9.1852096775,-0.2340531875,0.08326639,0.08326639,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Fe-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Fe-Si-W, expected Fe2Si2W3 to be FeSiW" +mp-961653,FeSiW,-9.23195184,-0.28079535,0.0365242275,0.0365242275,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Si-W,3.0,ABC_cF12_216_c_a_b:Fe-Si-W +mp-1207135,Gd3TlC,-11.181872846,-0.4179377742,0.0,-0.112381958,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Gd-Tl,5.0,AB3C_cP5_221_b_c_a:C-Gd-Tl +mp-1216012,YThRe4,-10.7572782433,-0.1475385594,0.0097599658,0.0097599658,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Re-Th-Y,12.0,A4BC_hP12_164_abi_d_d:Re-Th-Y +mp-1215170,ZrVCr,-9.11296478,-0.0180800567,0.0096263733,0.0096263733,GGA,Imma,ABC_oI12_74_a_c_e:Cr-V-Zr,6.0,ABC_oI12_74_a_c_e:Cr-V-Zr +mp-1096147,VInRu2,-4.8589477075000005,2.7371510125,2.9011888625,2.9011888625,GGA,Immm,AB2C_oI8_71_a_e_b:In-Ru-V,4.0,AB2C_oI8_71_a_e_b:In-Ru-V +mp-1187870,YTmTl2,-4.249637965,-0.3327397575,0.0,-0.0092263725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tl-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Tl-Tm-Y +mp-1206848,Cs2TcI6,-3.4097692933,-1.0773646501,0.0,-0.0510109,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Tc,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Tc +mp-1186529,Pm3Pa,-5.6572443725,0.2843285344,0.2843285344,0.2843285344,GGA,I4/mmm,AB3_tI8_139_a_bd:Pa-Pm,4.0,AB3_tI8_139_a_bd:Pa-Pm +mp-1186637,PmPa,-6.86897786,0.2636256313,0.2636256313,0.2636256313,GGA,P-6m2,AB_hP2_187_a_d:Pa-Pm,2.0,AB_hP2_187_a_d:Pa-Pm +mp-1219918,PmPaO4,-9.8065564733,-4.1312295021,0.0041338133,-0.494399406,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Pm,6.0,A4BC_tP6_123_i_a_d:O-Pa-Pm +mp-1173352,PmPaO4,-9.8106902867,-4.1353633154,0.0,-0.4985332194,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Pm,12.0,A4BC_tI24_141_f_a_b:O-Pa-Pm +mp-1206598,BaThN2,-7.8651672312,-1.3637114713,0.0,-0.0669389456,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ba-N-Th,8.0,AB2C_hP8_194_c_f_a:Ba-N-Th +mp-1183954,CsBa3,-1.507076685,0.156005113,0.156005113,0.156005113,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Cs,4.0,A3B_tI8_139_ad_b:Ba-Cs +mp-1183939,CsBa3,-1.5066099175,0.1564718805,0.1564718805,0.1564718805,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Cs,4.0,A3B_cP4_221_c_a:Ba-Cs +mp-1183948,CsBa3,-1.50024912,0.162832678,0.162832678,0.162832678,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Cs,4.0,A3B_cF16_225_ac_b:Ba-Cs +mp-1096925,CsBaI3,-3.4022673875,-1.9553721151,0.0,-0.000388066,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ba-Cs-I,20.0,ABC3_oP20_62_c_c_3c:Ba-Cs-I +mp-971799,DyYHg2,-3.41420945,-0.4940547792,0.00724649,0.00724649,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Dy-Hg-Y +mp-977455,PaAgO3,-8.276618826,-2.8391614666,0.0,-0.240847996,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-O-Pa,5.0,AB3C_cP5_221_a_c_b:Ag-O-Pa +mp-1100421,VSnRh,-7.0957156533,-0.2764537217,0.1075986717,0.1075986717,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sn-V,3.0,ABC_cF12_216_c_a_b:Rh-Sn-V +mp-669918,VSnRh2,-7.3692260775,-0.4137026613,0.0108282681,0.0108282681,GGA,I4/mmm,A2BC_tI8_139_d_a_b:Rh-Sn-V,4.0,A2BC_tI8_139_d_a_b:Rh-Sn-V +mp-1178762,VSnRh2,-7.2995400825,-0.3440166663,0.0805142631,0.0805142631,GGA,I4/mmm,A2BC_tI8_139_d_a_b:Rh-Sn-V,4.0,A2BC_tI8_139_d_a_b:Rh-Sn-V +mp-570826,VSnRh2,-7.27976392,-0.3242405038,0.1002904256,0.1002904256,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-V,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-V +mp-568928,Rb2FeI4,-3.5043834429,-1.1723041921,0.0179275312,0.0179275312,GGA,P2_1,AB4C2_mP14_4_a_4a_2a:Fe-I-Rb,14.0,"Invalid WP multiplicities - AB4C2_mP14_4_a_8a_3a:Fe-I-Rb, expected Rb3FeI8 to be Rb2FeI4" +mp-1209403,RbFeI4,-3.4927932404,-0.93545646,0.0,-0.0777236383,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Fe-I-Rb,24.0,AB4C_mP24_14_e_4e_e:Fe-I-Rb +mp-1208290,TePOs,-6.8724016533,-0.2777430433,0.1595655529,0.1595655529,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-P-Te,12.0,ABC_mP12_14_e_e_e:Os-P-Te +mp-1216915,UGeAu,-6.6021584167,-0.206051795,0.0825716202,0.0825716202,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ge-U,6.0,ABC_mC12_12_i_i_i:Au-Ge-U +mp-7180,UGeAu,-6.45681342,-0.0607067983,0.2279166169,0.2279166169,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Au-Ge-U,12.0,ABC_hP12_194_f_f_ab:Au-Ge-U +mp-1183413,BeHgO3,-4.670660882,-0.8940290092000001,0.6028435567,0.6028435567,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Hg-O,5.0,ABC3_cP5_221_b_a_c:Be-Hg-O +mp-34293,CsTaN2,-8.4470782425,-1.0905357795,0.0,-0.19634903,GGA,I-42d,AB2C_tI16_122_a_d_b:Cs-N-Ta,8.0,AB2C_tI16_122_a_d_b:Cs-N-Ta +mp-1101769,ThReB4,-8.3192457508,-0.5565869978,0.0,-0.0335025004,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Re-Th,12.0,A4BC_oC24_65_gip_h_j:B-Re-Th +mp-1096043,BeBPt2,-3.71676539,1.923502429,2.1804926495,2.1804926495,GGA,Immm,ABC2_oI8_71_a_b_e:B-Be-Pt,4.0,ABC2_oI8_71_a_b_e:B-Be-Pt +mp-1191182,BaBPd4,-5.3709330563,-0.4846173978,0.0,-0.0626496954,GGA,Pnma,ABC4_oP24_62_c_c_2cd:B-Ba-Pd,24.0,ABC4_oP24_62_c_c_2cd:B-Ba-Pd +mp-1207966,U2(Al3Ir)3,-6.542131925,-0.6272529943,0.0,-0.0575525764,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-U,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Ir-U +mp-1079219,UAlIr,-8.6207547589,-0.6622814189,0.0,-0.0229629589,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ir-U,9.0,ABC_hP9_189_f_bc_g:Al-Ir-U +mp-1189789,Nb5Ge2B,-8.5910452475,-0.2870486624,0.2303099592,0.2303099592,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:B-Ge-Nb,16.0,AB2C5_tI32_140_a_h_cl:B-Ge-Nb +mp-1105818,Nb5Ge3B,-8.4589285456,-0.563928486,0.0,-0.039098271,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Ge-Nb,18.0,AB3C5_hP18_193_b_g_dg:B-Ge-Nb +mp-641101,K34(Zn4In17)5,-2.2622617799,-0.1267110356,0.0080615784,0.0080615784,GGA,R-3m,A85B34C20_hR417_166_a6h4i_2c3hi_c3h:In-K-Zn,139.0,"Invalid WP multiplicities - A85B34C20_hR417_166_a34h42i_4c17h10i_2c12h:In-K-Zn, expected K230Zn76In709 to be K34(Zn4In17)5" +mp-866101,AcCrO3,-8.862593228,-3.1397355058,0.0,-0.0868441,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Cr-O,5.0,ABC3_cP5_221_a_b_c:Ac-Cr-O +mp-1183075,Ac3Cr,-5.0534605275,0.4506825956,0.4506825956,0.4506825956,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-Cr,4.0,A3B_cP4_221_c_a:Ac-Cr +mp-18217,K3AlSe3,-3.9001370075,-1.3909217069,0.0,-0.0634014007,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-K-Se,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_5e_3e:Al-K-Se, expected K5AlSe3 to be K3AlSe3" +mp-1184882,K3Al,-1.4615903425,0.3076028252,0.3076028252,0.3076028252,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-K,4.0,AB3_tI8_139_a_bd:Al-K +mp-1184840,K3Al,-1.44575519,0.3234379777,0.3234379777,0.3234379777,GGA,Pm-3m,AB3_cP4_221_a_c:Al-K,4.0,AB3_cP4_221_a_c:Al-K +mp-1211743,KAlSe2,-4.3446708594,-1.3827214263,0.0,-0.1032960296,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Al-K-Se,32.0,ABC2_mC64_15_2f_2f_2e3f:Al-K-Se +mp-1246161,Sc2CrN3,-9.2831370867,-1.3952253442,0.230783545,0.230783545,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Sc,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Sc +mp-1223832,K(SiPt)4,-5.94049858,-0.7075869859,0.0,-0.1489351482,GGA,I4,AB4C4_tI18_79_a_c_c:K-Pt-Si,9.0,AB4C4_tI18_79_a_c_c:K-Pt-Si +mp-10848,AsPdS,-5.1827047692,-0.5242214085,0.0,-0.0600855579,GGA,P2_13,ABC_cP12_198_a_a_a:As-Pd-S,12.0,ABC_cP12_198_a_a_a:As-Pd-S +mp-20446,SnPt3C,-5.9472361760000005,0.3430912855,0.6445537545000001,0.6445537545000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pt-Sn,5.0,AB3C_cP5_221_b_c_a:C-Pt-Sn +mp-21854,Nd3TlC,-3.573891944,1.6052582433,1.8307085463,1.8307085463,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Nd-Tl,5.0,AB3C_cP5_221_a_c_b:C-Nd-Tl +mp-1079076,Hf2PbC,-8.8433306013,-0.6294079456,0.0,-0.1540697971,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Hf-Pb,8.0,AB2C_hP8_194_a_f_c:C-Hf-Pb +mp-1017563,GaPt3C,-5.745444486,0.348587809,0.7039177635,0.7039177635,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Pt,5.0,ABC3_cP5_221_b_a_c:C-Ga-Pt +mp-985277,Ce2USe5,-6.9842118672,-1.9045686537,0.0,-0.046249847,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ce-Se-U,32.0,A2B5C_oP32_62_d_3cd_c:Ce-Se-U +mp-676083,Ce2USe4,-7.1721361279,-1.8662455235,0.0069079371,0.0069079371,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-Se-U,14.0,A2B4C_tI28_122_d_e_a:Ce-Se-U +mp-1245583,AgRu2N3,-7.3850736233,0.3467340197,0.3467340197,0.3467340197,GGA,P3_121,AB3C2_hP18_152_a_bc_c:Ag-N-Ru,18.0,AB3C2_hP18_152_a_bc_c:Ag-N-Ru +mp-34291,Zr3InF15,-6.7621400605,-3.7586153167,0.0,-0.0019912207,GGA,R-3c,A15BC3_hR114_167_e2f_a_e:F-In-Zr,38.0,"Invalid WP multiplicities - A15BC3_hR114_167_6e15f_a_e:F-In-Zr, expected Zr3InF108 to be Zr3InF15" +mp-1080791,UCuBi2,-5.7477960213,0.0201027138,0.0201027138,0.0201027138,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:Bi-Cu-U,8.0,A2BC_tP8_129_ac_b_c:Bi-Cu-U +mp-1181506,DyVSb3,-5.841759233,-0.6262199070000001,0.0,-0.009398048,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Dy-Sb-V,20.0,AB3C_oP20_57_d_c2d_c:Dy-Sb-V +mp-1184098,Dy3V,-5.4044776925,0.321588955,0.321588955,0.321588955,GGA,Fm-3m,A3B_cF16_225_ac_b:Dy-V,4.0,A3B_cF16_225_ac_b:Dy-V +mp-1245663,CdCuN,-4.2037529933,0.2491107917,0.2491107917,0.2491107917,GGA,P-6m2,ABC_hP3_187_c_b_a:Cd-Cu-N,3.0,ABC_hP3_187_c_b_a:Cd-Cu-N +mp-1189929,Li2PtF6,-4.7914120956,-2.4183173335,0.0010120994,-0.136393288,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:F-Li-Pt,18.0,A6B2C_mP18_14_3e_e_a:F-Li-Pt +mp-13986,Li2PtF6,-4.792424195,-2.419329433,0.0,-0.1374053874,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Pt,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:F-Li-Pt, expected Li2PtF10 to be Li2PtF6" +mp-1095099,LiPtF6,-4.4528427138,-2.0217264648,0.0,-0.0224582614,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Pt,8.0,A6BC_hR24_148_f_a_b:F-Li-Pt +mp-1212313,Li3PtF6,-4.338589667,-2.0119120945,0.5709186521,0.5709186521,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-Li-Pt,10.0,A6B3C_aP10_2_3i_bcd_a:F-Li-Pt +mp-1223887,In4As3P,-4.0187380263,-0.219063946,0.0038822925,0.0038822925,GGA,Pmm2,A3B4C_oP8_25_af_bde_c:As-In-P,8.0,"Invalid WP multiplicities - A3B4C_oP8_25_a2f_bd2e_c:As-In-P, expected In6As5P to be In4As3P" +mp-1223851,In2AsP,-4.10963911,-0.2156920171,0.0015379325,0.0015379325,GGA,P-4m2,AB2C_tP4_115_a_g_c:As-In-P,4.0,AB2C_tP4_115_a_g_c:As-In-P +mp-1223837,In2AsP,-4.1028170025,-0.2088699096,0.00836004,0.00836004,GGA,R3m,AB2C_hR12_160_a_2a_a:As-In-P,4.0,AB2C_hR12_160_a_2a_a:As-In-P +mp-1223884,In4AsP3,-4.1980448,-0.2098246944,0.0016889662,0.0016889662,GGA,Amm2,AB4C3_oC16_38_a_2bd_ae:As-In-P,8.0,AB4C3_oC16_38_a_2bd_ae:As-In-P +mp-1206872,HoSeI,-2.1689054317,1.0149901342,2.9641708656,2.9641708656,GGA,Pmmm,ABC_oP6_47_i_i_i:Ho-I-Se,6.0,ABC_oP6_47_i_i_i:Ho-I-Se +mp-1025165,Zr(VGa2)2,-5.9468139971,-0.3999715886,0.0,-0.0327053205,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:Ga-V-Zr,7.0,A4B2C_tI14_139_h_d_a:Ga-V-Zr +mp-567368,Zr3(VGa2)2,-6.6802754257,-0.4665756346,0.0236668575,0.0236668575,GGA,Pnma,A4B2C3_oP72_62_6cd_2d_6c:Ga-V-Zr,72.0,"Invalid WP multiplicities - A4B2C3_oP72_62_20c8d_11d_19c:Ga-V-Zr, expected Zr19(V11Ga18)2 to be Zr3(VGa2)2" +mp-1078870,UGaRh,-7.7709846978,-0.5430467303000001,0.0,-0.0897403611,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Rh-U,9.0,ABC_hP9_189_f_bc_g:Ga-Rh-U +mp-570928,U4Ga12Rh,-5.5440182965,-0.3165418153,0.0,-0.0015554776,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Rh-U,17.0,"Invalid WP multiplicities - A12BC4_cI34_229_3d3e_a_c:Ga-Rh-U, expected U4Ga36Rh to be U4Ga12Rh" +mp-1208091,U2(Ga3Rh)3,-5.6086930314,-0.4709353291,0.0186717301,0.0186717301,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-U,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Rh-U +mp-1078033,UGa5Rh,-5.2737434871,-0.4457152025,0.0,-0.0699513007,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Rh-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Rh-U +mp-646110,Y14(InRh)3,-6.5481567781,-0.5042282588,0.0,-0.0289154592,GGA,P4_2/nmc,A3B3C14_tP80_137_cg_dg_cdf3gh:In-Rh-Y,80.0,"Invalid WP multiplicities - A3B3C14_tP80_137_3c4g_3d3g_4c4d8f22g10h:In-Rh-Y, expected Y108In11Rh9 to be Y14(InRh)3" +mp-31347,YInRh,-6.2747473089,-0.7472597378,0.0,-0.0797364768,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Rh-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Rh-Y, expected Y3In3Rh5 to be YInRh" +mp-1206242,YIn5Rh,-4.3507713514,-0.4094574038,0.0,-0.0226943964,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Rh-Y,7.0,A5BC_tP7_123_ci_b_a:In-Rh-Y +mp-866163,YInRh2,-6.71733848,-0.7306458342000001,0.0,-0.0726073385,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Y,4.0,AB2C_cF16_225_a_c_b:In-Rh-Y +mp-1246143,RbMgN,-3.838287395,-0.1991843792,0.35940741,0.35940741,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-N-Rb,12.0,ABC_oP12_62_c_c_c:Mg-N-Rb +mp-1183451,BePtO3,-5.646703856,-0.7165813922000001,1.081286179,1.081286179,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pt,5.0,AB3C_cP5_221_b_c_a:Be-O-Pt +mp-1206740,Ce2(PRh)3,-5.19956466,1.07531152,2.2056796122,2.2056796122,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Ce-P-Rh,8.0,A2B3C3_tP8_123_g_ag_bg:Ce-P-Rh +mp-505502,Ce(PRh)2,-7.41885712,-1.1211951383,0.0,-0.074357872,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-P-Rh,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2a2c_bc:Ce-P-Rh, expected Ce(P2Rh)2 to be Ce(PRh)2" +mp-631403,CdPOs2,-6.3212442175,0.8764875642000001,1.071785645,1.071785645,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cd-Os-P,4.0,AB2C_cF16_216_a_bc_d:Cd-Os-P +mp-1245889,In7GeN6,-5.0577333416,0.221108338,0.3149713005,0.3149713005,GGA,Pbcn,AB7C6_oP56_60_c_c3d_3d:Ge-In-N,56.0,AB7C6_oP56_60_c_c3d_3d:Ge-In-N +mp-1246653,In5(GeN3)3,-5.8208903934,0.2176952854,0.3661046546,0.3661046546,GGA,Cmce,A3B5C9_oC136_64_e2f_d2fg_3f3g:Ge-In-N,68.0,A3B5C9_oC136_64_e2f_d2fg_3f3g:Ge-In-N +mp-1245692,In3Ge6N11,-6.3266562193,0.0580769055,0.2551784105,0.2551784105,GGA,P4bm,A6B3C11_tP40_100_cd_ac_bc2d:Ge-In-N,40.0,A6B3C11_tP40_100_cd_ac_bc2d:Ge-In-N +mp-1246555,In2Ge5N8,-6.4778438542,-0.1238127785,0.0829234665,0.0829234665,GGA,Pbca,A5B2C8_oP120_61_5c_2c_8c:Ge-In-N,120.0,A5B2C8_oP120_61_5c_2c_8c:Ge-In-N +mp-1246422,InGeN2,-5.9421613525,0.0697640062,0.240586025,0.240586025,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ge-In-N,16.0,ABC2_oP16_33_a_a_2a:Ge-In-N +mp-1246869,InGeN2,-6.0135435478,-0.0016181891,0.1692038297,0.1692038297,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ge-In-N,64.0,ABC2_oP64_61_2c_2c_4c:Ge-In-N +mp-1246867,In5(GeN3)2,-5.4017899915,0.2153980015,0.3447805285,0.3447805285,GGA,C2/c,A2B5C6_mC52_15_f_e2f_3f:Ge-In-N,26.0,A2B5C6_mC52_15_f_e2f_3f:Ge-In-N +mp-1102976,ZrPOs,-9.3229739383,-0.9268504161,0.0,-0.0107814142,GGA,Pnma,ABC_oP12_62_c_c_c:Os-P-Zr,12.0,ABC_oP12_62_c_c_c:Os-P-Zr +mp-1095207,ZrPOs,-9.3061718278,-0.9100483056,0.0168021106,0.0060206964,GGA,P-62m,ABC_hP9_189_f_bc_g:Os-P-Zr,9.0,ABC_hP9_189_f_bc_g:Os-P-Zr +mp-998412,KGeBr3,-3.49500829,-1.4165059316,0.025231168,-0.017509766,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Ge-K,5.0,A3BC_hR15_160_b_a_a:Br-Ge-K +mp-998612,KGeBr3,-3.520239458,-1.4417370996,0.0,-0.042740934,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:Br-Ge-K,10.0,"Invalid WP multiplicities - A3BC_mP10_11_e2f_e_e:Br-Ge-K, expected KGeBr5 to be KGeBr3" +mp-1025213,InPPt5,-5.9318306729,-0.4288802676,0.0,-0.0485188079,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:In-P-Pt,7.0,ABC5_tP7_123_c_b_ai:In-P-Pt +mp-10419,Na4ReN3,-5.7583884119,-0.4153742702,0.0,-0.096837661,GGA,Cc,A3B4C_mC32_9_3a_4a_a:N-Na-Re,16.0,"Invalid WP multiplicities - A3B4C_mC32_9_3a_6a_a:N-Na-Re, expected Na6ReN3 to be Na4ReN3" +mp-1246277,Na6ReN4,-5.1640133559,-0.2798625699,0.0672678936,0.0672678936,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-Re,22.0,A4B6C_tP22_137_g_df_a:N-Na-Re +mp-1246646,NaReN2,-7.8945937906,-0.2845832085,0.0493209963,0.0493209963,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Na-Re,64.0,A2BC_oP64_61_4c_2c_2c:N-Na-Re +mp-1246353,Na3Re2N5,-7.4102591828,-0.3563486952,0.0124359929,0.0124359929,GGA,I4_1,A5B3C2_tI80_80_5b_2a2b_2b:N-Na-Re,40.0,A5B3C2_tI80_80_5b_2a2b_2b:N-Na-Re +mp-1246193,Na3ReN3,-6.1334295236,-0.2160598321,0.195034879,0.195034879,GGA,P6_3/mmc,A3B3C_hP14_194_h_h_c:N-Na-Re,14.0,A3B3C_hP14_194_h_h_c:N-Na-Re +mp-1029650,Na15Re7N19,-6.8809910389,-0.409211203,0.0,-0.0328003223,GGA,P-1,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-Re,82.0,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-Re +mp-1207218,Ce(PPd)2,-6.384587608,-0.9606960503,0.0,-0.0576060217,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Ce-P-Pd +mp-1214002,Ce3(P3Pd10)2,-5.9826212714,-0.6765275229000001,0.0,-0.0142187892,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Ce-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Ce-P-Pd +mp-7003,CePPd,-6.71423527,-1.2054774461,0.0,-0.0630783407,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-P-Pd,6.0,ABC_hP6_194_a_c_d:Ce-P-Pd +mp-504776,Ce6P17Pd6,-6.3046759097,-0.8321252751,0.0466072578,0.0466072578,GGA,I-43m,A6B17C6_cI58_217_e_acg_d:Ce-P-Pd,29.0,A6B17C6_cI58_217_e_acg_d:Ce-P-Pd +mp-541066,Mg2B4Ru5,-7.290618225,-0.3551509629,0.0,-0.1107145633,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:B-Mg-Ru,22.0,A4B2C5_oP22_55_2g_g_b2h:B-Mg-Ru +mp-1220841,NaB4Ir3,-7.0738309219,-0.2544065573,0.0,-0.0953453546,GGA,Aem2,A4B3C_oC64_39_4d_2a2cd_bc:B-Ir-Na,32.0,"Invalid WP multiplicities - A4B3C_oC64_39_5d_2a2cd_bc:B-Ir-Na, expected NaB5Ir3 to be NaB4Ir3" +mp-1204202,Ho6Al43W4,-4.809257069,-0.2736582986,0.0,-0.0077578056,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ho-W +mp-1077930,Ta(MnB2)2,-8.7173727843,-0.5888905989000001,0.0,-0.0246913979,GGA,Immm,A4B2C_oI14_71_ef_f_a:B-Mn-Ta,7.0,A4B2C_oI14_71_ef_f_a:B-Mn-Ta +mp-1096466,Al2VIr,-3.75350388,2.5998690975,3.2091776817,3.2091776817,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Ir-V,4.0,A2BC_oI8_71_e_a_b:Al-Ir-V +mp-866001,AlVRu2,-8.48623144,-0.6416596950000001,0.0,-0.1880744,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ru-V,4.0,AB2C_cF16_225_a_c_b:Al-Ru-V +mp-20606,Tb3In5S12,-5.2739817303,-1.4090359626,0.003688955,0.003688955,GGA,P2_1/m,A5B12C3_mP40_11_5e_12e_3e:In-S-Tb,40.0,"Invalid WP multiplicities - A5B12C3_mP40_11_6e_15e_3e:In-S-Tb, expected TbIn2S5 to be Tb3In5S12" +mp-1197305,Tb4In5S13,-5.4000676657,-1.4878071512,0.0391495759,0.0391495759,GGA,Pbam,A5B13C4_oP44_55_a2h_c2g4h_2g:In-S-Tb,44.0,A5B13C4_oP44_55_a2h_c2g4h_2g:In-S-Tb +mp-20501,Gd3InC,-9.298198006,1.5435451825,1.88806638,1.88806638,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Gd-In,5.0,AB3C_cP5_221_a_c_b:C-Gd-In +mp-1193527,Zr4Os2C,-9.9029812757,-0.4923808654,0.0552122187,0.0552122187,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Os-Zr,28.0,AB2C4_cF112_227_c_e_df:C-Os-Zr +mp-1223298,La(Ho2C5)2,-7.8700149267,-0.166528426,0.0804962447,0.0804962447,GGA,C2/m,A10B4C_mC30_12_5i_2i_a:C-Ho-La,15.0,"Invalid WP multiplicities - A10B4C_mC30_12_9i_3i_a:C-Ho-La, expected La(HoC3)6 to be La(Ho2C5)2" +mp-1223003,La4HoC10,-7.9103972547,-0.136191107,0.0457494532,0.0457494532,GGA,Fmmm,A10BC4_oF60_69_g2n_a_2i:C-Ho-La,15.0,"Invalid WP multiplicities - A10BC4_oF60_69_2g5n_a_3i:C-Ho-La, expected La6HoC24 to be La4HoC10" +mp-991234,Ho7FeI12,-2.83068626,0.080677715,1.512004321,1.4346419959,GGA,P-1,AB7C12_aP20_2_a_e3i_6i:Fe-Ho-I,20.0,"Invalid WP multiplicities - AB7C12_aP20_2_a_e6i_12i:Fe-Ho-I, expected Ho13FeI24 to be Ho7FeI12" +mp-567566,Ho7FeI12,-4.342690581,-1.431326606,0.0,-0.0773623251,GGA,R-3,AB7C12_hR60_148_a_bf_2f:Fe-Ho-I,20.0,"Invalid WP multiplicities - AB7C12_hR60_148_a_b2f_9f:Fe-Ho-I, expected Ho13FeI54 to be Ho7FeI12" +mp-570831,U3NbSb5,-7.6008474717,-0.4207873306,0.0,-0.0373740086,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Nb-Sb-U,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_4d4g_g:Nb-Sb-U, expected U3NbSb20 to be U3NbSb5" +mp-1070713,InNi3N,-5.840910806,-0.155193067,0.0,-0.0535084517,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Ni,5.0,ABC3_cP5_221_a_b_c:In-N-Ni +mp-1246644,In2NiN2,-5.376154673,0.215144125,0.319441264,0.319441264,GGA,Pmmn,A2B2C_oP10_59_e_e_a:In-N-Ni,10.0,A2B2C_oP10_59_e_e_a:In-N-Ni +mp-1186769,SrY,-3.849449825,0.2285324583,0.2285324583,0.2285324583,GGA,P-6m2,AB_hP2_187_a_d:Sr-Y,2.0,AB_hP2_187_a_d:Sr-Y +mp-1097161,SrYPd2,-3.5009710275,1.1279610192,1.8864538513,1.8864538513,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Sr-Y,4.0,A2BC_oI8_71_e_a_b:Pd-Sr-Y +mp-679991,CuW3Br7,-5.7434512417,-0.8484698172,0.004422492,-0.006410139,GGA,Pbca,A7BC3_oP88_61_7c_c_3c:Br-Cu-W,88.0,"Invalid WP multiplicities - A7BC3_oP88_61_49c_c_18c:Br-Cu-W, expected CuW18Br49 to be CuW3Br7" +mp-23370,CuW3Br7,-5.7478737337,-0.8528923092,0.0,-0.010832631,GGA,Pn-3,A7BC3_cP88_201_e2h_e_h:Br-Cu-W,88.0,A7BC3_cP88_201_e2h_e_h:Br-Cu-W +mp-1097094,V2MoIr,-5.700830935,3.7621431725,4.1494272312,4.1494272312,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mo-V,4.0,ABC2_oI8_71_a_b_e:Ir-Mo-V +mp-1208244,Th2Br2N,-5.877042802,-0.622989185,1.311960736,1.311960736,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-N-Th,5.0,A2BC2_tP5_123_g_a_g:Br-N-Th +mp-28066,ThBrN,-8.06006859,-2.292274755,0.0,-0.3007560717,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-N-Th,6.0,ABC_tP6_129_c_a_c:Br-N-Th +mp-568493,In3SnI5,-2.896133105,-0.71486035,0.0011988306,-0.0010298219,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:I-In-Sn,36.0,"Invalid WP multiplicities - A5B3C_mP36_14_16e_9e_e:I-In-Sn, expected In9SnI16 to be In3SnI5" +mp-568522,In3SnI5,-2.8973319356,-0.7160591806000001,0.0,-0.0022286524,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:I-In-Sn,36.0,"Invalid WP multiplicities - A5B3C_mP36_14_18e_9e_e:I-In-Sn, expected In9SnI18 to be In3SnI5" +mp-28871,In3SnI5,-2.8949639725000003,-0.7136912175,0.0023679631,0.0001393106,GGA,C2/c,A5B3C_mC72_15_5f_2e2f_f:I-In-Sn,36.0,A5B3C_mC72_15_5f_2e2f_f:I-In-Sn +mp-23417,InSn2I5,-2.9995767325,-0.7323693337,0.0227241024,0.0227241024,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:I-In-Sn,16.0,A5BC2_tI32_140_cl_a_h:I-In-Sn +mp-1215627,Zr2VRe3,-10.9647846775,-0.3793031967,0.0,-0.0469564424,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Re-V-Zr,12.0,A3BC2_hP12_194_h_a_f:Re-V-Zr +mp-989638,CaTcN3,-8.061781688,-0.5866369680000001,0.0,-0.0480451625,GGA,C2/m,AB3C_mC20_12_i_3i_i:Ca-N-Tc,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_6i_i:Ca-N-Tc, expected CaTcN6 to be CaTcN3" +mp-989634,CaTcN3,-8.0496891555,-0.5745444355,0.0120925325,-0.03595263,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Ca-N-Tc,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_8f_f:Ca-N-Tc, expected Ca3(TcN8)2 to be CaTcN3" +mp-865586,VGaRu2,-8.1353120275,-0.4701102344,0.0,-0.19803341,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ru-V,4.0,AB2C_cF16_225_a_c_b:Ga-Ru-V +mp-1228792,AsPPt,-5.9641689392,-0.5829841953,0.0172746004,0.0172746004,GGA,P2_13,ABC_cP12_198_a_a_a:As-P-Pt,12.0,ABC_cP12_198_a_a_a:As-P-Pt +mp-979432,YLuCd2,-3.5316921675,-0.3233918792,0.006635475,0.006635475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Lu-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Lu-Y +mp-1194717,Bi16Pt11I6,-4.5446301789,-0.3909789456,0.0277399841,0.0277399841,GGA,P42_12,A16B6C11_tP66_90_2cd3g_eg_cf2g:Bi-I-Pt,66.0,A16B6C11_tP66_90_2cd3g_eg_cf2g:Bi-I-Pt +mp-1194687,Bi13Pt3I7,-3.8455152098,-0.434501162,0.0087972008,0.0087972008,GGA,P-1,A13B7C3_aP92_2_26i_14i_6i:Bi-I-Pt,92.0,A13B7C3_aP92_2_26i_14i_6i:Bi-I-Pt +mp-1227807,Bi13Pt3I7,-3.8284252017,-0.4174111539,0.0258872088,0.0258872088,GGA,P-1,A13B7C3_aP46_2_13i_7i_3i:Bi-I-Pt,46.0,A13B7C3_aP46_2_13i_7i_3i:Bi-I-Pt +mp-1327009,Bi13Pt3I7,-1.4286425787,1.9823714691,2.4256698319,2.4256698319,GGA,P-1,A13B7C3_aP46_2_13i_7i_3i:Bi-I-Pt,46.0,A13B7C3_aP46_2_13i_7i_3i:Bi-I-Pt +mp-1104961,Bi8Pt5I3,-4.4922772875,-0.3985473694,0.0223370625,0.0223370625,GGA,C2/m,A8B3C5_mC32_12_4i_ai_d2i:Bi-I-Pt,16.0,A8B3C5_mC32_12_4i_ai_d2i:Bi-I-Pt +mp-1197111,Bi20(PtI12)3,-3.21192307,-0.7023574571,0.0052436516,0.0052436516,GGA,P-1,A20B36C3_aP59_2_10i_18i_ai:Bi-I-Pt,59.0,A20B36C3_aP59_2_10i_18i_ai:Bi-I-Pt +mp-600480,Y12Ni6Pb,-6.4775453363,-0.37274952,0.0,-0.0059992749,GGA,Im-3,A6BC12_cI38_204_e_a_g:Ni-Pb-Y,19.0,A6BC12_cI38_204_e_a_g:Ni-Pb-Y +mp-1096566,YSbAu2,-3.1607438625,1.1250652258,1.8654952453,1.8654952453,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Sb-Y,4.0,A2BC_oI8_71_e_a_b:Au-Sb-Y +mp-13654,Y3Sb4Au3,-5.4708483505,-0.8971419205000001,0.0,-0.0942978269,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Au-Sb-Y,20.0,A3B4C3_cI40_220_a_c_b:Au-Sb-Y +mp-1215821,YZr2Co9,-7.4718643875,-0.1771366768,0.0435528843,0.0435528843,GGA,R3m,A9BC2_hR36_160_3a2b_a_2a:Co-Y-Zr,12.0,A9BC2_hR36_160_3a2b_a_2a:Co-Y-Zr +mp-1216240,YZrCo6,-7.3707001192,-0.162690305,0.0406259507,0.0406259507,GGA,R3m,A6BC_hR72_160_6a4b_3a_3a:Co-Y-Zr,24.0,"Invalid WP multiplicities - A6BC_hR72_160_6a12b_3a_3a:Co-Y-Zr, expected YZrCo14 to be YZrCo6" +mp-1247325,Ca4PtN4,-5.9094120194,-0.6383550706000001,0.2152585545,0.2152585545,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Pt,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Pt +mp-1245783,Ca4PtN4,-5.9704634167,-0.6994064678,0.1542071573,0.1542071573,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Pt,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Pt +mp-1247133,Ca5(PtN3)2,-6.0797418012,-0.5267236788,0.2962050045,0.2962050045,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Pt,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Pt +mp-1246630,Ca7PtN6,-5.7535010193,-0.74426516,0.1378416252,0.1378416252,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Pt,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Pt +mp-990257,AgSnF6,-1.1016465213,1.1872286867,3.45575331,3.4207039594,GGA,P-1,AB6C_aP8_2_b_3i_d:Ag-F-Sn,8.0,AB6C_aP8_2_b_3i_d:Ag-F-Sn +mp-10809,AgSnF6,-4.5573998312,-2.2685246233,0.0,-0.0350493506,GGA,P-1,AB6C_aP8_2_b_3i_d:Ag-F-Sn,8.0,AB6C_aP8_2_b_3i_d:Ag-F-Sn +mp-1097111,NaYTl2,-1.711909745,1.41666093,1.6641534114,1.6641534114,GGA,Immm,AB2C_oI8_71_a_e_b:Na-Tl-Y,4.0,AB2C_oI8_71_a_e_b:Na-Tl-Y +mp-1186196,NaYTl2,-3.36988925,-0.241318575,0.0061739064,0.0061739064,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Na-Tl-Y +mp-973815,Pa3Ta,-9.9062100175,0.194232885,0.194232885,0.194232885,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pa-Ta,8.0,A3B_hP8_194_h_c:Pa-Ta +mp-1186411,PaTa,-10.404819855,0.28140129,0.28140129,0.28140129,GGA,P-6m2,AB_hP2_187_a_d:Pa-Ta,2.0,AB_hP2_187_a_d:Pa-Ta +mp-1186403,PaTaO3,-9.864889588,-2.6223879033,0.7318351642,0.7318351642,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pa-Ta,5.0,A3BC_cP5_221_c_a_b:O-Pa-Ta +mp-1193819,Zr4Re2N,-10.3128581832,-0.6819507811000001,0.0735926546,0.0735926546,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Re-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Re-Zr +mp-29676,Dy3AlC,-5.741221932,-0.3823015635,0.0,-0.0495972898,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Dy,5.0,ABC3_cP5_221_a_b_c:Al-C-Dy +mp-1104803,Dy(AlC)3,-6.5085401643,-0.2900386204,0.0,-0.0448098675,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Dy,14.0,A3B3C_hP14_194_cf_df_a:Al-C-Dy +mp-631539,BiBCl,-2.7225306667,1.4002751869,2.0374418913,2.0374418913,GGA,F-43m,ABC_cF12_216_a_b_c:B-Bi-Cl,3.0,ABC_cF12_216_a_b_c:B-Bi-Cl +mp-1087511,UFeAs2,-7.7929417725,-0.5230247650000001,0.0,-0.0090710425,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Fe-U,8.0,A2BC_tP8_129_ac_b_c:As-Fe-U +mp-1196116,Sc2ReB6,-7.9709328708,-0.7280644242000001,0.0,-0.0262223381,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Re-Sc,36.0,A6BC2_oP36_55_6h_g_2g:B-Re-Sc +mp-1224854,FeReB,-9.3907761717,-0.1927961164,0.0850938357,0.0850938357,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Fe-Re,6.0,ABC_oF24_69_f_g_h:B-Fe-Re +mp-862700,AlVOs2,-9.2944951875,-0.4734409975,0.0,-0.1439889246,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Os-V,4.0,AB2C_cF16_225_a_c_b:Al-Os-V +mp-1194066,Hf2(Co7B2)3,-7.5131422283,-0.2970938703,0.0059094216,0.0059094216,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Hf,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Hf +mp-1106407,HfCo3B2,-8.0383863967,-0.5982320706,0.0,-0.0760911646,GGA,R-3m,A2B3C_hR54_166_f_dh_ac:B-Co-Hf,18.0,A2B3C_hR54_166_f_dh_ac:B-Co-Hf +mp-7804,HfCo3B2,-8.0206931167,-0.5805387906,0.01769328,-0.0583978846,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Hf,6.0,A2B3C_hP6_191_c_g_a:B-Co-Hf +mp-996996,CrAuO2,-7.32845195,-1.6233752269,0.0,-0.0482356004,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Au-Cr-O,8.0,ABC2_hR12_166_a_b_c:Au-Cr-O +mp-997159,CrAuO2,-7.3281916125,-1.6231148894,0.0002603375,-0.0479752629,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-Cr-O,8.0,ABC2_hP8_194_c_a_f:Au-Cr-O +mp-641367,Cr3AuO8,-7.5562733875,-1.5723955458,0.0686148018,0.0686148018,GGA+U,C2/m,AB3C8_mC24_12_a_ci_2ij:Au-Cr-O,12.0,"Invalid WP multiplicities - AB3C8_mC24_12_a_di_4i3j:Au-Cr-O, expected Cr3AuO20 to be Cr3AuO8" +mp-1207375,ErSBr,-2.9666232517,0.4524424173,1.920330485,1.920330485,GGA,Pmmm,ABC_oP6_47_i_i_i:Br-Er-S,6.0,ABC_oP6_47_i_i_i:Br-Er-S +mp-20775,CeDyS3,-6.943926621,-2.3540815019,0.0,-0.004787251,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ce-Dy-S,20.0,ABC3_oP20_62_c_c_3c:Ce-Dy-S +mp-1226713,CeDy4S7,-6.7706567917000005,-2.3277079931,0.0302740117,0.0302740117,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Ce-Dy-S,12.0,AB4C7_mC24_8_a_4a_7a:Ce-Dy-S +mp-1189957,Ta3RhS6,-8.06147829,-1.2858442939,0.0,-0.0174641189,GGA,P6_322,AB6C3_hP20_182_c_i_af:Rh-S-Ta,20.0,AB6C3_hP20_182_c_i_af:Rh-S-Ta +mp-1210837,LuHfF7,-7.4189392461,-4.3235512103,0.0,-0.0513974346,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Lu,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Lu +mp-1093740,ScVTc2,-5.6958130425,3.3386002237,3.6391902878,3.6391902878,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Tc-V,4.0,AB2C_oI8_71_a_e_b:Sc-Tc-V +mp-865516,YPaRu2,-9.0161234775,-0.3836382642,0.0,-0.1478218213,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Pa-Ru-Y +mp-1096717,V2MoRh,-5.4718322,3.62261033,3.8800220762,3.8800220762,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Rh-V,4.0,ABC2_oI8_71_a_b_e:Mo-Rh-V +mp-1093839,Y2InPb,-2.9884892575,1.8608289992,2.3925418046,2.3925418046,GGA,Immm,ABC2_oI8_71_a_b_e:In-Pb-Y,4.0,ABC2_oI8_71_a_b_e:In-Pb-Y +mp-1216252,Y2(InPb)3,-4.3684249112,-0.3276830829,0.0291969238,0.0291969238,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:In-Pb-Y,8.0,A3B3C2_oP8_47_aj_bgh_k:In-Pb-Y +mp-1208657,UInCu5,-4.9093459946,0.0248150182,0.0279258163,0.0279258163,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-In-U,28.0,A5BC_oP28_62_3cd_c_c:Cu-In-U +mp-1222818,LaGdN2,-10.4931157225,-1.5718359238,0.0582348737,0.0582348737,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Gd-La-N,4.0,ABC2_tP4_123_a_d_bc:Gd-La-N +mp-1222851,LaGdN2,-10.51929286,-1.5980130613,0.0320577362,0.0320577362,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-La-N,4.0,ABC2_hR12_166_a_b_c:Gd-La-N +mp-28608,Ga3Te3I,-3.5088367286,-0.6534692861,0.0,-0.0307354569,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Ga-I-Te,28.0,A3BC3_oP28_62_3c_c_3c:Ga-I-Te +mp-29541,GaTeI7,-2.47275071,-0.6410877805,0.0,-0.017004335,GGA,Pc,AB7C_mP18_7_a_7a_a:Ga-I-Te,18.0,AB7C_mP18_7_a_7a_a:Ga-I-Te +mp-1207809,Y12Co5Bi,-6.7762931606,-0.2774191903,0.0,-0.0304303375,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Y,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Y +mp-30921,Y6CoBi2,-6.4445949856,-0.4903591261,0.0180781501,0.0180781501,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Y,9.0,"Invalid WP multiplicities - A2BC6_hP9_189_c_b_2f2g:Bi-Co-Y, expected Y12CoBi2 to be Y6CoBi2" +mp-1246098,Y2Pt2Se7,-5.7671383327,-1.26290295,0.1105765773,0.1105765773,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Pt-Se-Y,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Pt-Se-Y, expected YPtSe10 to be Y2Pt2Se7" +mp-1245972,NaPbN,-4.3300516383,0.1271707911,0.3798321459,0.3798321459,GGA,Pnma,ABC_oP12_62_c_c_c:N-Na-Pb,12.0,ABC_oP12_62_c_c_c:N-Na-Pb +mp-22963,K2TeBr6,-3.0849881517,-1.4536243997,0.0,-0.0445587596,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Br-K-Te,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_7e_e_a:Br-K-Te, expected K2TeBr14 to be K2TeBr6" +mp-23411,K2TeBr6,-3.0724386,-1.4410748481,0.0125495517,-0.0320092079,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Br-K-Te,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_e2h_d_a:Br-K-Te, expected K2TeBr10 to be K2TeBr6" +mp-23505,K2TeBr6,-3.0618250056,-1.4304612536,0.0231631461,-0.0213956135,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Te,9.0,A6B2C_cF36_225_e_c_a:Br-K-Te +mp-1246008,Sc3Ge6N11,-7.490755674,-0.568904743,0.232515502,0.232515502,GGA,P4bm,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Sc,40.0,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Sc +mp-1247007,Sc5(GeN3)3,-8.0463145172,-0.9545566693,0.3787914057,0.3787914057,GGA,Cmce,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Sc,68.0,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Sc +mp-631558,Hf2BiB,-6.602678265,1.0058864752,1.4865406254,1.4865406254,GGA,F-43m,ABC2_cF16_216_a_c_bd:B-Bi-Hf,4.0,ABC2_cF16_216_a_c_bd:B-Bi-Hf +mp-10868,SmPPd,-6.35364578,-1.2497222961,0.0,-0.0692022994,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:P-Pd-Sm,6.0,ABC_hP6_194_c_d_a:P-Pd-Sm +mp-1206125,Sm(PPd)2,-6.138856448,-0.9578654943,0.0,-0.0282285557,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Sm,5.0,A2B2C_tI10_139_e_d_a:P-Pd-Sm +mp-1208970,Sm3(P3Pd10)2,-5.8940323431,-0.7135768381,0.0,-0.0452656536,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:P-Pd-Sm,29.0,A6B20C3_cF116_225_e_fh_ac:P-Pd-Sm +mp-1208293,Te(RhO3)2,-6.5519268722,-1.2683653277,0.0433535701,0.0433535701,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Rh-Te,18.0,A6B2C_tP18_136_fj_e_a:O-Rh-Te +mp-984711,Cr3Cu,-7.9707404675,0.2938468025,0.2938468025,0.2938468025,GGA,Pm-3m,A3B_cP4_221_c_a:Cr-Cu,4.0,A3B_cP4_221_c_a:Cr-Cu +mp-1100441,CrCuB,-6.6233303133,0.1872183236,0.5401955608,0.5401955608,GGA,F-43m,ABC_cF12_216_c_a_b:B-Cr-Cu,3.0,ABC_cF12_216_c_a_b:B-Cr-Cu +mp-1197169,Lu6Al43W4,-4.7847134312,-0.2560722099,0.0,-0.0003093452,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-W +mp-1189333,ErB2Os,-7.8953990519,-0.6069316065,0.0,-0.0040452944,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Er-Os,16.0,A2BC_oP16_62_d_c_c:B-Er-Os +mp-1191929,ErB4Os,-7.6798102738,-0.5943680532,0.0,-0.0219720235,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Os,24.0,A4BC_oP24_55_4h_g_g:B-Er-Os +mp-1198965,Er2B6Os,-7.4034510669,-0.6879893253,0.0,-0.0843733078,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Er-Os,36.0,A6B2C_oP36_55_6h_2g_g:B-Er-Os +mp-1221215,Na3ThB24,-6.31665417,-0.1849814332,0.0,-0.0181497664,GGA,P4/mmm,A24B3C_tP28_123_4h2t_ag_b:B-Na-Th,28.0,"Invalid WP multiplicities - A24B3C_tP28_123_8h8t_a2g_b:B-Na-Th, expected Na5ThB80 to be Na3ThB24" +mp-1189186,Ta2B2Os,-10.3072367155,-0.6468954692000001,0.0034038705,0.0034038705,GGA,P4/mnc,A2BC2_tP20_128_g_e_h:B-Os-Ta,20.0,A2BC2_tP20_128_g_e_h:B-Os-Ta +mp-1207787,Y4MgPd,-5.8071560358,-0.3661483169,0.0,-0.0138743796,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Pd-Y,24.0,ABC4_cF96_216_e_e_efg:Mg-Pd-Y +mp-1095851,YMgPd2,-3.4455465625,1.1610821333,1.9872091988,1.9872091988,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Mg-Pd-Y +mp-1205518,Y2MgPd2,-5.752298292,-0.7737011127000001,0.007899107,0.007899107,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Pd-Y,10.0,AB2C2_tP10_127_a_g_h:Mg-Pd-Y +mp-12696,YMgPd,-5.1112739833,-0.6957296589,0.0,-0.0469450015,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pd-Y,9.0,ABC_hP9_189_f_bc_g:Mg-Pd-Y +mp-1226040,CoRuS4,-6.2595194458,-0.7714328121,0.0174155046,0.0174155046,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Ru-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_d_4e:Co-Ru-S, expected CoRuS8 to be CoRuS4" +mp-1181796,Co8RuS8,-6.5670830065,-0.7298745456,0.0,-0.023724431,GGA,Fm-3m,A8BC8_cF68_225_f_a_ce:Co-Ru-S,17.0,A8BC8_cF68_225_f_a_ce:Co-Ru-S +mp-1214786,AsRuS,-6.6931840033,-0.6698603994,0.0,-0.0287497429,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Ru-S,12.0,ABC_mP12_14_e_e_e:As-Ru-S +mp-38931,Tb2SmS4,-6.6493779129,-2.2875039411,0.0620251441,0.0620251441,GGA,I-42d,A4BC2_tI28_122_e_a_d:S-Sm-Tb,14.0,A4BC2_tI28_122_e_a_d:S-Sm-Tb +mp-1197418,Ce4(HoS2)11,-6.80455031,-2.3412867624,0.0246701443,0.0246701443,GGA,C2/m,A4B11C22_mC74_12_2i_a5i_11i:Ce-Ho-S,37.0,A4B11C22_mC74_12_2i_a5i_11i:Ce-Ho-S +mp-1189290,Ce(HoS2)3,-6.819705503,-2.3698040064,0.0,-0.0099273363,GGA,P2_1/m,AB3C6_mP20_11_e_3e_6e:Ce-Ho-S,20.0,AB3C6_mP20_11_e_3e_6e:Ce-Ho-S +mp-1226677,CeHo4S7,-6.7525636983,-2.3177408897,0.0404275647,0.0404275647,GGA,C2/m,AB4C7_mC24_12_a_2i_d3i:Ce-Ho-S,12.0,AB4C7_mC24_12_a_2i_c3i:Ce-Ho-S +mp-865485,V2CrOs,-10.059894965,-0.297838205,0.0,-0.0607633017,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Os-V,4.0,ABC2_cF16_225_a_b_c:Cr-Os-V +mp-1097578,Y2BeIr,-4.0031167125,2.3745806054,2.9576945608000003,2.9576945608000003,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ir-Y,4.0,ABC2_oI8_71_a_b_e:Be-Ir-Y +mp-1198315,Np2Tc4O23,-8.2096003522,-1.9643605074,0.0,-0.0143318519,GGA,P-1,A2B23C4_aP58_2_2i_23i_4i:Np-O-Tc,58.0,A2B23C4_aP58_2_2i_23i_4i:Np-O-Tc +mp-977184,NpTcO3,-9.671323104,-2.041626152,0.6848691418,0.6848691418,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Tc,5.0,AB3C_cP5_221_a_c_b:Np-O-Tc +mp-1211006,LuPtF7,-5.5804817792,-2.9168777111,0.0,-0.0652246375,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Lu-Pt,36.0,A7BC_mP36_14_7e_e_e:F-Lu-Pt +mp-961710,VSiPt,-7.2905264433,-0.4304073033,0.1976765133,0.1976765133,GGA,F-43m,ABC_cF12_216_c_a_b:Pt-Si-V,3.0,ABC_cF12_216_c_a_b:Pt-Si-V +mp-540540,PaBr3O,-6.42281491,-2.5987272377,0.0,-0.2061781303,GGA,C2/m,A3BC_mC20_12_3i_i_i:Br-O-Pa,10.0,A3BC_mC20_12_3i_i_i:Br-O-Pa +mp-1186382,Pa3Br,-7.5686513075,-0.04439573,0.5589839756,0.5589839756,GGA,I4/mmm,AB3_tI8_139_a_bd:Br-Pa,4.0,AB3_tI8_139_a_bd:Br-Pa +mp-27642,PaBr5,-4.8394631404,-1.9594954221,0.0,-0.3504828738,GGA,P2_1/c,A5B_mP24_14_5e_e:Br-Pa,24.0,A5B_mP24_14_5e_e:Br-Pa +mp-27474,PaBr4,-5.076170654,-1.930815058,0.0,-0.0496994528,GGA,I4_1/amd,A4B_tI20_141_h_a:Br-Pa,10.0,A4B_tI20_141_h_a:Br-Pa +mp-1184526,GdYHg2,-5.7897804175,-0.5022918967000001,0.0111925875,0.0111925875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Gd-Hg-Y +mp-19778,Nd3PbN,-4.002619398,1.2680974605,2.207473206,2.1693501635,GGA,Pm-3m,AB3C_cP5_221_a_c_b:N-Nd-Pb,5.0,AB3C_cP5_221_a_c_b:N-Nd-Pb +mp-1094101,Nd3PbN,-6.210092604,-0.9393757455,0.0,-0.0381230425,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Nd-Pb,5.0,AB3C_cP5_221_b_c_a:N-Nd-Pb +mp-867304,BeVFe2,-7.6731823375,-0.2323419987,0.0,-0.0400232012,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Fe-V,4.0,AB2C_cF16_225_a_c_b:Be-Fe-V +mp-569842,Ba3SiI2,-3.6187571221,-1.2639278638,0.0,-0.0766260129,GGA,Fddd,A3B2C_oF96_70_fh_2e_e:Ba-I-Si,24.0,"Invalid WP multiplicities - A3B2C_oF96_70_3f3h_6e_e:Ba-I-Si, expected Ba9SiI6 to be Ba3SiI2" +mp-979982,YbPu3,-10.8041323425,0.281648475,0.281648475,0.281648475,GGA,I4/mmm,A3B_tI8_139_ad_b:Pu-Yb,,A3B_tI8_139_ad_b:Pu-Yb +mp-1187775,YbPu3,-10.8056576487,0.2801231688,0.2801231688,0.2801231688,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pu-Yb,,A3B_hP8_194_h_c:Pu-Yb +mp-1187542,YbPuO3,-9.359896624,-3.2303940752,0.412113574,0.412113574,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pu-Yb,,A3BC_cP5_221_c_b_a:O-Pu-Yb +mp-1223934,HoUTe4,-5.9590280633,-1.2178543211,0.0,-0.0076043242,GGA,Imm2,AB4C_oI12_44_a_2bc_a:Ho-Te-U,6.0,AB4C_oI12_44_a_2bc_a:Ho-Te-U +mp-1224195,HoUTe6,-5.3694528162,-1.0277460362,0.0078484038,0.0078484038,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Ho-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Ho-Te-U +mp-1224261,HoUTe3,-6.164311719,-1.103564407,0.1707918538,0.1707918538,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ho-Te-U,20.0,AB3C_oP20_62_c_3c_c:Ho-Te-U +mp-1184908,HoU3,-9.0883373575,0.5258223675,0.5258223675,0.5258223675,GGA,I4/mmm,AB3_tI8_139_a_bd:Ho-U,4.0,AB3_tI8_139_a_bd:Ho-U +mp-1206990,Sm3SnN,-6.367403964,-1.067038927,0.0,-0.0266204067,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Sm-Sn,5.0,AB3C_cP5_221_b_c_a:N-Sm-Sn +mp-1215874,Zr3(V2Fe)2,-8.9239908789,-0.1552388133,0.0,-0.0036786117,GGA,P-1,A2B4C3_aP18_2_dei_bc3i_3i:Fe-V-Zr,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_dei_bc4i_5i:Fe-V-Zr, expected Zr5V5Fe2 to be Zr3(V2Fe)2" +mp-1215479,Zr2V3Fe,-8.9366387833,-0.1337820033,0.0,-0.0173528933,GGA,R-3m,AB3C2_hR18_166_a_d_c:Fe-V-Zr,6.0,AB3C2_hR18_166_a_d_c:Fe-V-Zr +mp-1215241,ZrVFe,-8.8699513483,-0.1694087117,0.0177078867,0.0171912542,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-V-Zr, expected Zr3(VFe)2 to be ZrVFe" +mp-1215261,ZrVFe,-8.887659235000001,-0.1871165983,0.0,-0.0005166325,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Fe-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Fe-V-Zr, expected Zr3(VFe)2 to be ZrVFe" +mp-1222498,Lu4FeS7,-6.6077067583,-1.9819590618,0.1018847771,0.1018847771,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Fe-Lu-S,12.0,AB4C7_mC24_8_a_4a_7a:Fe-Lu-S +mp-686377,Lu2FeS4,-6.5583267219,-1.6929379051,0.2014875217,0.2014875217,GGA,P1,AB2C4_aP70_1_10a_20a_40a:Fe-Lu-S,70.0,AB2C4_aP70_1_10a_20a_40a:Fe-Lu-S +mp-675858,Lu2FeS4,-6.5582073093,-1.6928184925,0.2016069343,0.2016069343,GGA,P1,AB2C4_aP56_1_8a_16a_32a:Fe-Lu-S,56.0,AB2C4_aP56_1_8a_16a_32a:Fe-Lu-S +mp-1336779,Lu2FeS4,-6.219247598,-1.3538587812,0.5405666456,0.5405666456,GGA,P1,AB2C4_aP70_1_10a_20a_40a:Fe-Lu-S,70.0,AB2C4_aP70_1_10a_20a_40a:Fe-Lu-S +mp-14306,Lu2FeS4,-6.6370327507,-1.7716439339,0.1227814929,0.1227814929,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-Lu-S,14.0,AB2C4_cF56_227_a_d_e:Fe-Lu-S +mp-1190919,PuB4Mo,-9.1581460467,-0.5196367928,0.0,-0.036430507,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mo-Pu,24.0,A4BC_oP24_55_4h_g_g:B-Mo-Pu +mp-631541,BeGeB,-4.2568308533,0.7571133103000001,0.7640787848,0.7640787848,GGA,F-43m,ABC_cF12_216_a_c_b:B-Be-Ge,3.0,ABC_cF12_216_a_c_b:B-Be-Ge +mp-1212496,Hf6BCl14,-6.5195555762,-2.1242203766,0.0,-0.1147647887,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:B-Cl-Hf,42.0,AB14C6_oC84_64_a_def2g_fg:B-Cl-Hf +mp-1105961,ThTaN3,-10.5351093155,-1.6788851845,0.0,-0.1536010345,GGA,Pnma,A3BC_oP20_62_cd_a_c:N-Ta-Th,20.0,A3BC_oP20_62_cd_a_c:N-Ta-Th +mp-1079374,ThTaN3,-10.402600303,-1.546376172,0.1325090125,-0.021092022,GGA,Cmcm,A3BC_oC20_63_cf_a_c:N-Ta-Th,10.0,A3BC_oC20_63_cf_a_c:N-Ta-Th +mp-1187536,ThTaN3,-10.512073558,-1.6558494270000002,0.0230357575,-0.130565277,GGA,Imma,A3BC_oI20_74_eg_a_e:N-Ta-Th,10.0,A3BC_oI20_74_eg_a_e:N-Ta-Th +mp-10732,ThTaN3,-10.303800818,-1.447576687,0.2313084975,0.077707463,GGA,Pm-3m,A3BC_cP5_221_c_b_a:N-Ta-Th,5.0,A3BC_cP5_221_c_b_a:N-Ta-Th +mp-1187061,Th3Ta,-8.2258779025,0.2989601925,0.2989601925,0.2989601925,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ta-Th,8.0,AB3_hP8_194_c_h:Ta-Th +mp-980942,YTmMg2,-3.61648026,-0.0807636008,0.0037974825,0.0037974825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Tm-Y +mp-8368,Pr3GaC,-4.103016892,1.216878864,1.4976355004,1.4976355004,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Ga-Pr,5.0,ABC3_cP5_221_a_b_c:C-Ga-Pr +mp-862969,PmYMg2,-3.71395607,-0.109562686,0.0,-0.0015864075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pm-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Pm-Y +mp-5075,Sc3CoC4,-8.32572863,-0.448180245,0.0,-0.0639942704,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Co-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Co-Sc +mp-10270,ScCo3C,-7.671762876,-0.2945452795,0.0,-0.0596638555,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Co-Sc,5.0,AB3C_cP5_221_b_c_a:C-Co-Sc +mp-615314,ScCoC2,-8.2966906287,-0.3221611575,0.0,-0.0060256352,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Co-Sc,8.0,"Invalid WP multiplicities - A2BC_tP8_129_4c_a_c:C-Co-Sc, expected ScCoC4 to be ScCoC2" +mp-1410915,Mg2SnN2,-5.248574372,-0.471950011,0.1892915081,0.1892915081,GGA,C2,A2B2C_mC20_5_2c_2c_c:Mg-N-Sn,10.0,A2B2C_mC20_5_2c_2c_c:Mg-N-Sn +mp-1247112,Mg7SnN6,-5.3060214136,-0.6466998596,0.1454443829,0.1454443829,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Mg-N-Sn,28.0,A7B6C_oI56_72_ajk_jk_b:Mg-N-Sn +mp-1389170,Mg(SnN)2,-5.440552276,-0.182069554,0.2448926435,0.2448926435,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Mg-N-Sn,5.0,AB2C2_tP5_115_a_g_f:Mg-N-Sn +mp-1029791,MgSnN2,-6.1044131856,-0.5337027469,0.0,-0.1550487069,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Sn +mp-1246115,Mg4SnN4,-5.535015155,-0.6731627378,0.0615500612,0.0615500612,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mg-N-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Mg-N-Sn +mp-1246062,Ti(CdN)4,-5.0818975333,-0.0893385604,0.3322179094,0.3322179094,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Cd-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Cd-N-Ti +mp-1093777,BeHPt2,-2.935639515,1.8829618725,2.0214409258,2.0214409258,GGA,Immm,ABC2_oI8_71_a_b_e:Be-H-Pt,,ABC2_oI8_71_a_b_e:Be-H-Pt +mp-1229102,Ag2PbI4,-2.7717038857,-0.5901003890000001,0.1024713696,0.1024713696,GGA,I4/mmm,A2B4C_tI14_139_d_ce_a:Ag-I-Pb,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_d_2c2e_a:Ag-I-Pb, expected Ag2PbI8 to be Ag2PbI4" +mp-1208047,TmAgS2,-5.4561515459,-1.5608287558,0.010761823,0.010761823,GGA,P2_1,AB2C_mP32_4_4a_8a_4a:Ag-S-Tm,32.0,AB2C_mP32_4_4a_8a_4a:Ag-S-Tm +mp-1079656,TmAgS2,-5.44756059,-1.5522377999,0.0193527789,0.0193527789,GGA,I4_1md,AB2C_tI16_109_a_2a_a:Ag-S-Tm,8.0,AB2C_tI16_109_a_2a_a:Ag-S-Tm +mp-1216540,TmAgS2,-5.4273355225,-1.5320127324,0.0395778464,0.0395778464,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-S-Tm,4.0,AB2C_hR12_166_a_c_b:Ag-S-Tm +mp-1245947,Li2PbN2,-4.862324078,-0.0216275473,0.3338843475,0.3338843475,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Pb,5.0,A2B2C_hP5_164_d_d_a:Li-N-Pb +mp-1247389,LiPbN,-4.6960387617,-0.0433504744,0.2562233206,0.2562233206,GGA,Pnma,ABC_oP12_62_c_c_c:Li-N-Pb,12.0,ABC_oP12_62_c_c_c:Li-N-Pb +mp-1246045,LiPbN,-4.4577199367,0.1949683506,0.4945421456,0.4945421456,GGA,P-6m2,ABC_hP3_187_c_a_b:Li-N-Pb,3.0,ABC_hP3_187_c_a_b:Li-N-Pb +mp-1215374,Zr4Sc5N10,-9.7598042774,-1.9062202092,0.0103397674,0.0103397674,GGA,C2/m,A10B5C4_mC38_12_bc4i_a2i_2i:N-Sc-Zr,19.0,"Invalid WP multiplicities - A10B5C4_mC38_12_ac8i_b4i_3i:N-Sc-Zr, expected Zr2Sc3N6 to be Zr4Sc5N10" +mp-1100799,Zr3Sc4N8,-9.4095615993,-1.5652324187,0.335291126,0.335291126,GGA,R-3m,A8B4C3_hR45_166_4c_2c_ac:N-Sc-Zr,15.0,"Invalid WP multiplicities - A8B4C3_hR45_166_7c_3c_a2c:N-Sc-Zr, expected Zr5Sc6N14 to be Zr3Sc4N8" +mp-1100800,Zr3Sc4N8,-9.3933118773,-1.5489826967,0.351540848,0.351540848,GGA,R-3m,A8B4C3_hR45_166_4c_2c_ac:N-Sc-Zr,15.0,"Invalid WP multiplicities - A8B4C3_hR45_166_7c_3c_a2c:N-Sc-Zr, expected Zr5Sc6N14 to be Zr3Sc4N8" +mp-1245733,Sc2GaN3,-8.0512122329,-1.267459065,0.3469765413,0.3469765413,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Sc,24.0,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Sc +mp-1232050,Eu2MgS4,-7.3230873439,-1.8002183271,0.1246389971,0.1246389971,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Eu-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Eu-Mg-S +mp-1232035,Eu2MgS4,-7.2624050357,-1.7395360189,0.1853213054,0.1853213054,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Eu-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Eu-Mg-S +mp-1232046,Eu2MgS4,-7.3109024368,-1.78803342,0.1368239043,0.1368239043,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Eu-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Eu-Mg-S +mp-1232034,Eu2MgS4,-7.2963571386,-1.7734881218,0.1513692025,0.1513692025,GGA,I-42d,A2BC4_tI28_122_d_a_e:Eu-Mg-S,28.0,A2BC4_tI28_122_d_a_e:Eu-Mg-S +mp-1232045,Eu2MgS4,-7.302092505,-1.7792234882,0.1456338361,0.1456338361,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Eu-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Eu-Mg-S +mp-22617,YNiSn,-6.104434955,-0.6857084056,0.0,-0.0967871445,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sn-Y,12.0,ABC_oP12_62_c_c_c:Ni-Sn-Y +mp-1216215,Y4NiSn8,-5.4815131485,-0.5797749967,0.0233709176,0.0233709176,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Ni-Sn-Y,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Ni-Sn-Y +mp-1203938,Y2Ni7Sn3,-5.8757766056000005,-0.4238920597,0.0001953439,0.0001953439,GGA,Cmce,A7B3C2_oC96_64_3f2g_2ef_df:Ni-Sn-Y,48.0,A7B3C2_oC96_64_3f2g_2ef_df:Ni-Sn-Y +mp-1216614,Y9Ni24Sn49,-5.1294989117,-0.3320532869,0.0209745615,0.0209745615,GGA,C2/m,A24B49C9_mC164_12_4i4j_a8i8j_defj:Ni-Sn-Y,82.0,"Invalid WP multiplicities - A24B49C9_mC164_12_6i11j_a12i22j_c2e2f2j:Ni-Sn-Y, expected Y17Ni56Sn113 to be Y9Ni24Sn49" +mp-1216216,YNi3Sn2,-5.7552813428,-0.4509438656,0.0082695394,0.0082695394,GGA,P-62m,A3B2C_hP18_189_fk_fg_bc:Ni-Sn-Y,18.0,A3B2C_hP18_189_fk_fg_bc:Ni-Sn-Y +mp-1207663,YNi3Sn2,-5.6521344144,-0.3477969372,0.1114164678,0.1114164678,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Ni-Sn-Y,18.0,A3B2C_hP18_191_fl_k_ad:Ni-Sn-Y +mp-1068331,Y2Ni2Sn,-6.29061532,-0.5900578317,0.0029842753,0.0029842753,GGA,Immm,A2BC2_oI10_71_e_c_g:Ni-Sn-Y,5.0,A2BC2_oI10_71_e_c_g:Ni-Sn-Y +mp-21981,YNiSn2,-5.6539384235,-0.5875005477,0.0,-0.0410001413,GGA,Pnma,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Y,48.0,AB2C_oP48_62_3c_6c_3c:Ni-Sn-Y +mp-1207093,LuRu3C,-8.594351208,-0.2797864815,0.0,-0.0383561175,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Lu-Ru,5.0,ABC3_cP5_221_b_a_c:C-Lu-Ru +mp-1219966,PrDyC4,-7.8327271817,-0.1156680875,0.0659885456,0.0659885456,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Dy-Pr,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_c_b:C-Dy-Pr, expected PrDyC6 to be PrDyC4" +mp-1222817,LaNdC4,-7.9080035633,-0.1382008121,0.0111825894,0.0111825894,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-La-Nd,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-La-Nd, expected LaNdC8 to be LaNdC4" +mp-1222790,LaNdC4,-7.90425502,-0.1344522687,0.0149311327,0.0149311327,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-La-Nd,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_c_b:C-La-Nd, expected LaNdC6 to be LaNdC4" +mp-1096054,NbRe2W,-7.103923885,4.883198525,4.9532431587,4.9532431587,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Re-W,4.0,AB2C_oI8_71_a_e_b:Nb-Re-W +mp-1093849,Nb2ReW,-6.6216224775,4.7796943962,4.8704973725,4.8704973725,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Re-W,4.0,A2BC_oI8_71_e_a_b:Nb-Re-W +mp-1097408,NbReW2,-6.969640935,5.1458822363,5.21592687,5.21592687,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Re-W,4.0,ABC2_oI8_71_a_b_e:Nb-Re-W +mp-631471,YScBe,-4.6286237033,0.8841606578000001,0.9623309271,0.9623309271,GGA,F-43m,ABC_cF12_216_a_c_b:Be-Sc-Y,3.0,ABC_cF12_216_a_c_b:Be-Sc-Y +mp-1097071,LiY2Co,-3.28497303,2.2025726921,2.3239751148,2.3239751148,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Li-Y,4.0,ABC2_oI8_71_a_b_e:Co-Li-Y +mp-867822,LiYAu2,-4.4432697825,-0.7124802875,0.0017202908,0.0017202908,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Y,4.0,A2BC_cF16_225_c_a_b:Au-Li-Y +mp-1187859,YHoRh2,-7.31594056,-0.8715666292,0.01199699,0.01199699,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Y +mp-1207980,TmZrF7,-7.1738547511,-4.240089326,0.0,-0.1841537153,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Tm-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Tm-Zr +mp-1096724,Ta2VRe,-6.58345432,4.7275428087,4.9892181025,4.9617306442,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Ta-V,4.0,AB2C_oI8_71_a_e_b:Re-Ta-V +mp-1187201,Ta2VRe,-11.5726724225,-0.2616752938,0.0,-0.0274874583,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-Ta-V,4.0,AB2C_cF16_225_a_c_b:Re-Ta-V +mp-1096369,TaV2Re,-6.293423745,4.3241054937,4.5880987225,4.5880987225,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Ta-V,4.0,ABC2_oI8_71_a_b_e:Re-Ta-V +mp-1097613,TaVRe2,-6.89647919,4.5612053275,4.793330185,4.793330185,GGA,Immm,A2BC_oI8_71_e_a_b:Re-Ta-V,4.0,A2BC_oI8_71_e_a_b:Re-Ta-V +mp-980749,VFeRu2,-9.13259876,-0.10691567,0.0143103542,0.0143103542,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Ru-V,4.0,AB2C_cF16_225_a_c_b:Fe-Ru-V +mp-1246130,Ba3Sc2N4,-6.8440446317,-1.0920621061,0.155463157,0.155463157,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Sc,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Sc +mp-1247132,Ba3Sc2N4,-6.8761494583000005,-1.1241669328,0.1233583304,0.1233583304,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Sc,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Sc +mp-1247430,Ba3Sc3N5,-7.3271683859,-1.2874586805,0.113833803,0.113833803,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Sc,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Sc +mp-1245831,Ba3ScN3,-6.0305483129,-0.7307084986,0.2751825612,0.2751825612,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Sc,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Sc +mp-1029396,SrHfN2,-8.6703154875,-1.5903974042,0.0,-0.1781438866,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Hf-N-Sr,8.0,AB2C_tP8_129_c_ac_c:Hf-N-Sr +mp-9383,SrHfN2,-8.63903325,-1.5591151667,0.0312822375,-0.1468616491,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-Sr,4.0,AB2C_hR12_166_a_c_b:Hf-N-Sr +mp-1246329,SrHf7N10,-10.2645221086,-1.6670351134,0.1410254483,0.1410254483,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Hf-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:Hf-N-Sr +mp-1246024,Sr7HfN6,-6.0648629595,-0.9361049057,0.0051617934,0.0051617934,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Hf-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:Hf-N-Sr +mp-1247284,Sr5Hf2N6,-7.19493346,-1.1656400079,0.0752254781,0.0752254781,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Hf-N-Sr,26.0,A2B6C5_mC52_15_f_3f_e2f:Hf-N-Sr +mp-20321,UGeRh,-8.3297348908,-0.5701529792000001,0.0,-0.1059129056,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-U,12.0,ABC_oP12_62_c_c_c:Ge-Rh-U +mp-1207318,U2(GeRh)3,-6.9181597425,0.3999436569,0.9638406881,0.9638406881,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Rh-U,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Rh-U +mp-1217387,U(GeRh)2,-7.172056301,-0.118840009,0.4413034535,0.4413034535,GGA,P4mm,A2B2C_tP10_99_2ac_2bc_ab:Ge-Rh-U,10.0,A2B2C_tP10_99_2ac_2bc_ab:Ge-Rh-U +mp-1237836,U(GeRh)2,-7.285839965,-0.232623673,0.3275197895,0.3275197895,GGA,P4mm,A2B2C_tP10_99_2ac_2bc_ab:Ge-Rh-U,10.0,A2B2C_tP10_99_2ac_2bc_ab:Ge-Rh-U +mp-1079648,U(GeRh)2,-7.595084055,-0.5418677630000001,0.0182756995,0.0182756995,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Rh-U,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Rh-U +mp-21132,U(GeRh)2,-7.53803689,-0.484820598,0.0753228645,0.0753228645,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-U +mp-1189485,UGe2Rh,-7.4365258925,-0.461082495,0.0225900971,0.0225900971,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Rh-U,16.0,A2BC_oI32_71_efm_m_ei:Ge-Rh-U +mp-1184597,HfThO3,-9.60118995,-3.1589672672,0.6684135252,0.6684135252,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hf-O-Th,5.0,AB3C_cP5_221_b_c_a:Hf-O-Th +mp-1077918,Sr2TcO4,-7.4615314057,-2.672048449,0.0,-0.0381844204,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Sr-Tc,7.0,A4B2C_tI14_139_ce_e_a:O-Sr-Tc +mp-1188414,SrTcO3,-7.8343585495,-2.4563188431,0.0,-0.0206210603,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sr-Tc,20.0,A3BC_oP20_62_cd_c_a:O-Sr-Tc +mp-1079334,SrTcO3,-7.832268012,-2.4542283056,0.0020905375,-0.0185305228,GGA,Imma,A3BC_oI20_74_eg_e_a:O-Sr-Tc,10.0,A3BC_oI20_74_eg_e_a:O-Sr-Tc +mp-12631,SrTcO3,-7.832244516,-2.4542048096,0.0021140335,-0.0185070268,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Tc,5.0,A3BC_cP5_221_c_a_b:O-Sr-Tc +mp-1245849,Mn(NiN)2,-7.4610972955,0.0179584049,0.2410115428,0.2410115428,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Mn-N-Ni,20.0,AB2C2_oP20_62_c_2c_2c:Mn-N-Ni +mp-1245787,Mn(NiN)2,-7.363631724,0.1154239764,0.3384771143,0.3384771143,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Mn-N-Ni,5.0,AB2C2_hP5_164_a_d_d:Mn-N-Ni +mp-1245706,MnNiN2,-8.0941580062,-0.1903725507,0.0685795321,0.0685795321,GGA,P6_3/mmc,AB2C_hP8_194_c_e_a:Mn-N-Ni,8.0,AB2C_hP8_194_c_e_a:Mn-N-Ni +mp-1245483,Mn(NiN)3,-7.3790647543,-0.0202204533,0.1504542679,0.1504542679,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Mn-N-Ni,14.0,AB3C3_hP14_176_c_h_h:Mn-N-Ni +mp-1245394,Mn5NiN4,-8.7504208305,-0.2568015465,0.158156833,0.158156833,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Mn-N-Ni,20.0,A5B4C_oP20_59_ag_ef_b:Mn-N-Ni +mp-20362,Mn3NiN,-8.533926974,-0.2133914778,0.0610929457,0.0610929457,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Ni,5.0,A3BC_cP5_221_c_b_a:Mn-N-Ni +mp-1245431,MnNi5N4,-7.1699503245,-0.0290824853,0.1062812912,0.1062812912,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Mn-N-Ni,20.0,AB4C5_oP20_59_a_ef_bg:Mn-N-Ni +mp-1246594,Mn2Ni9N8,-7.08121044,0.1312748286,0.2695810482,0.2695810482,GGA,C2/m,A2B8C9_mC38_12_i_4i_a4i:Mn-N-Ni,19.0,A2B8C9_mC38_12_i_4i_a4i:Mn-N-Ni +mp-1246288,Mn2NiN2,-8.326100566000001,-0.1706691432,0.211871246,0.211871246,GGA,Cmc2_1,A2B2C_oC20_36_b_b_a:Mn-N-Ni,10.0,A2B2C_oC20_36_b_b_a:Mn-N-Ni +mp-1246609,Mn2NiN2,-8.499423485,-0.3439920622,0.038548327,0.038548327,GGA,Pmmn,A2B2C_oP10_59_e_e_a:Mn-N-Ni,10.0,A2B2C_oP10_59_e_e_a:Mn-N-Ni +mp-1245477,Mn2NiN2,-8.24245425,-0.0870228272,0.295517562,0.295517562,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-N-Ni,5.0,A2B2C_hP5_164_d_d_a:Mn-N-Ni +mp-1245427,Mn3Ni8N9,-7.3639693312,0.0738103508,0.2490459401,0.2490459401,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Ni,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Ni +mp-1246926,Mn10NiN8,-9.0117284411,-0.3752942831,0.057864983,0.057864983,GGA,C2/m,A10B8C_mC38_12_5i_4i_a:Mn-N-Ni,19.0,A10B8C_mC38_12_5i_4i_a:Mn-N-Ni +mp-1096510,Y2SnHg,-2.6319770775,1.6795715342,2.324670308,2.324670308,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Sn-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Sn-Y +mp-1188081,PuNiO3,-9.139632452,-2.1620242233,0.515832347,0.515832347,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Pu,5.0,AB3C_cP5_221_b_c_a:Ni-O-Pu +mp-1246798,NiGe7N10,-6.7709658511,-0.0206169114,0.2149983615,0.2149983615,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Ge-N-Ni,36.0,A7B10C_mP36_7_7a_10a_a:Ge-N-Ni +mp-1245842,NiGeN2,-6.7284832094,0.0405553869,0.2335903526,0.2335903526,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Ge-N-Ni,16.0,AB2C_oP16_33_a_2a_a:Ge-N-Ni +mp-1245501,NiGeN2,-6.7058526863,0.06318591,0.2562208757,0.2562208757,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ge-N-Ni,64.0,AB2C_oP64_61_2c_4c_2c:Ge-N-Ni +mp-1245507,NiGeN2,-6.25810407,0.5109345263,0.7039694919,0.7039694919,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ge-N-Ni,8.0,AB2C_hP8_194_c_f_a:Ge-N-Ni +mp-1246858,Ni(GeN)2,-6.308233351,0.031603097,0.2962573826,0.2962573826,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Ge-N-Ni,20.0,A2B2C_oP20_62_2c_2c_c:Ge-N-Ni +mp-973123,ScPdO3,-6.811770678,-1.5412872682,0.8200657299,0.8200657299,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pd-Sc,5.0,A3BC_cP5_221_c_a_b:O-Pd-Sc +mp-541354,K2(TcSe2)3,-5.9393916132,-1.0050112864,0.0,-0.4244341309,GGA,C2/c,A2B6C3_mC88_15_2ef_6f_3f:K-Se-Tc,44.0,A2B6C3_mC88_15_2ef_6f_3f:K-Se-Tc +mp-1245718,Nb5CoN9,-9.5103013065,-0.6674148185000001,0.2278408325,0.2278408325,GGA,P2_1/c,AB9C5_mP60_14_ad_9e_5e:Co-N-Nb,60.0,AB9C5_mP60_14_ad_9e_5e:Co-N-Nb +mp-1193905,Nb4Co2N,-9.5141567682,-0.5201066718,0.004409939,0.004409939,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Co-N-Nb,28.0,A2BC4_cF112_227_e_c_df:Co-N-Nb +mp-1186194,Np3B,-11.0872987525,0.2933839511,0.4463718183,0.4463718183,GGA,Fm-3m,AB3_cF16_225_a_bc:B-Np,4.0,AB3_cF16_225_a_bc:B-Np +mp-1219654,PuNpB4,-9.39256901,-0.4037048276,0.0173547448,0.0173547448,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Np-Pu,6.0,A4BC_hP6_191_h_a_b:B-Np-Pu +mp-1219694,PuNp,-12.77816836,0.8296406456000001,0.8296406456000001,0.8296406456000001,GGA,Cmmm,AB_oC4_65_a_c:Np-Pu,2.0,AB_oC4_65_a_c:Np-Pu +mp-1103809,NpB12,-7.3754272038,-0.2138517476,0.0,-0.0527375414,GGA,Fm-3m,A12B_cF52_225_h_b:B-Np,13.0,A12B_cF52_225_h_b:B-Np +mp-1083,NpB2,-9.1768220533,-0.4079676457,0.0,-0.0588868656,GGA,P6/mmm,A2B_hP3_191_c_b:B-Np,3.0,A2B_hP3_191_c_b:B-Np +mp-1025156,NpB6,-7.8438781014,-0.2690023434,0.0546950409,0.0546950409,GGA,Pm-3m,A6B_cP7_221_e_b:B-Np,7.0,A6B_cP7_221_e_b:B-Np +mp-1188425,NpB4,-8.351966289,-0.4188969361,0.0,-0.108205002,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Np,20.0,A4B_tP20_127_egi_h:B-Np +mp-1186856,Pu3Np,-13.733187805,0.2046358628,0.2046358628,0.2046358628,GGA,I4/mmm,AB3_tI8_139_a_bd:Np-Pu,4.0,AB3_tI8_139_a_bd:Np-Pu +mp-1186824,PuNp3,-12.81875449,0.4590398534,0.4590398534,0.4590398534,GGA,Fm-3m,A3B_cF16_225_ac_b:Np-Pu,4.0,A3B_cF16_225_ac_b:Np-Pu +mp-1105036,Ni(BMo)3,-8.8234348064,-0.4869687604,0.0,-0.0013461979,GGA,Cmcm,A3B3C_oC28_63_cf_cf_a:B-Mo-Ni,14.0,A3B3C_oC28_63_cf_cf_a:B-Mo-Ni +mp-9999,Ni(BMo)2,-8.645021748,-0.4789776597,0.0,-0.0210938272,GGA,Immm,A2B2C_oI10_71_e_g_c:B-Mo-Ni,5.0,A2B2C_oI10_71_e_g_c:B-Mo-Ni +mp-1208348,Ta5Ga3B,-8.760444265,-0.4212700441,0.0,-0.0313452413,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Ga-Ta,18.0,AB3C5_hP18_193_b_g_dg:B-Ga-Ta +mp-979418,Sm2(ReB2)3,-8.382683225,-0.4874919114,0.0,-0.0408185858,GGA,C2/c,A6B3C2_mC44_15_3f_ef_f:B-Re-Sm,22.0,A6B3C2_mC44_15_3f_ef_f:B-Re-Sm +mp-1208888,SmReB4,-7.8448428558,-0.5313961219000001,0.0,-0.0112753465,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Re-Sm,24.0,A4BC_oP24_55_4h_g_g:B-Re-Sm +mp-1095965,YZn2Au,-1.6982735475,1.3666865358,1.9020093873,1.9020093873,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Au-Y-Zn +mp-1216085,Y3(ZnAu2)2,-4.62151545,-0.7310233878,0.0,-0.0095558537,GGA,Amm2,A4B3C2_oC18_38_abd_be_d:Au-Y-Zn,9.0,A4B3C2_oC18_38_abd_be_d:Au-Y-Zn +mp-1097223,YZnAu2,-2.5182663125,1.0502283683,1.7165203027,1.7165203027,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Y-Zn,4.0,A2BC_oI8_71_e_a_b:Au-Y-Zn +mp-1187709,Y2ZnAu,-4.9753176425,-0.6086756833,0.0175520999999999,0.0175520999999999,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Au-Y-Zn +mp-1207930,U3TiSn5,-6.9832886,-0.1146684531,0.0448910576,0.0448910576,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Sn-Ti-U,18.0,A5BC3_hP18_193_dg_b_g:Sn-Ti-U +mp-38327,Ca(TbS2)2,-6.3341067186,-2.3598022118,0.0229746804,0.0229746804,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ca-S-Tb,14.0,AB4C2_tI28_122_a_e_d:Ca-S-Tb +mp-1200036,Gd2ZrS5,-9.3714442259,-2.1986699204,0.0,-0.0168993806,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Gd-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:Gd-S-Zr +mp-1208866,Si2P4Ir,-6.1462719814,-0.2402319433,0.1694319043,0.1694319043,GGA,C2/m,AB4C2_mC14_12_a_j_i:Ir-P-Si,7.0,AB4C2_mC14_12_a_j_i:Ir-P-Si +mp-1219249,Si3P3Ir,-6.27417724,-0.3664206986,0.0046068479,0.0046068479,GGA,P1,AB3C3_aP7_1_a_3a_3a:Ir-P-Si,7.0,AB3C3_aP7_1_a_3a_3a:Ir-P-Si +mp-1025524,Zr2TlC,-7.79876941,-0.6270919352000001,0.0,-0.1688196579,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Tl-Zr,8.0,ABC2_hP8_194_a_c_f:C-Tl-Zr +mp-1224515,Hf20Si12B,-8.9668098609,-0.7569011115000001,0.0107809527,0.0107809527,GGA,P2/m,AB20C12_mP33_10_a_ijklmn2o_mn2o:B-Hf-Si,33.0,"Invalid WP multiplicities - AB20C12_mP33_10_a_i2jk2l2m2n6o_2m2n6o:B-Hf-Si, expected Hf44Si32B to be Hf20Si12B" +mp-19899,Dy3SnC,-6.039251322,-0.6275317485,0.0,-0.1048633166,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Dy-Sn,5.0,AB3C_cP5_221_b_c_a:C-Dy-Sn +mp-979437,YPaTc2,-9.305483615,-0.1298801992,0.0026578588,0.0026578588,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pa-Tc-Y,4.0,AB2C_cF16_225_a_c_b:Pa-Tc-Y +mp-1224067,HfZrW4,-11.8818498333,-0.15894807,0.000414165,0.000414165,GGA,F-43m,AB4C_cF24_216_a_e_c:Hf-W-Zr,6.0,AB4C_cF24_216_a_e_c:Hf-W-Zr +mp-1097471,ZrVTc2,-5.98738159,3.6008395575,3.9051204978,3.9051204978,GGA,Immm,A2BC_oI8_71_e_a_b:Tc-V-Zr,4.0,A2BC_oI8_71_e_a_b:Tc-V-Zr +mp-865497,V2ReOs,-10.777133975,-0.3172072862,0.0,-0.0518492713,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Re-V,4.0,ABC2_cF16_225_a_b_c:Os-Re-V +mp-1246809,NiOsN2,-8.1297424687,0.2903810213,0.3102453608,0.3102453608,GGA,P6_3/mmc,A2BC_hP8_194_e_a_c:N-Ni-Os,8.0,A2BC_hP8_194_e_a_c:N-Ni-Os +mp-1095709,Tc2GeW,-5.9281564,3.6474525938,3.6474525938,3.6474525938,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Tc-W,4.0,AB2C_oI8_71_a_e_b:Ge-Tc-W +mp-29085,Sr5Zr3F22,-6.6970250205,-4.1589214724,0.0,-0.0040310417,GGA,P2_12_12,A22B5C3_oP60_18_11c_a2bc_ac:F-Sr-Zr,60.0,"Invalid WP multiplicities - A22B5C3_oP60_18_14c_a2bc_ac:F-Sr-Zr, expected Sr5Zr3F28 to be Sr5Zr3F22" +mp-1208602,SrZrF6,-6.8487319119,-4.1354734258,0.0,-0.0156584809,GGA,Cmme,A6BC_oC32_67_mo_g_a:F-Sr-Zr,16.0,A6BC_oC32_67_mo_g_a:F-Sr-Zr +mp-1106228,Tb7NiI12,-4.2719809475,-1.4769261685,0.0,-0.0693441544,GGA,R-3,A12BC7_hR60_148_2f_a_bf:I-Ni-Tb,20.0,A12BC7_hR60_148_2f_a_bf:I-Ni-Tb +mp-29890,Th2AuF11,-6.3867391682,-3.5918915152,0.0,-0.0007826442,GGA,I4/mcm,AB11C2_tI56_140_c_dejk_h:Au-F-Th,28.0,"Invalid WP multiplicities - AB11C2_tI56_140_c_dej2k_h:Au-F-Th, expected Th2AuF15 to be Th2AuF11" +mp-19716,Sm3InN,-6.036326702,-0.98753929,0.0,-0.119189717,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Sm,5.0,ABC3_cP5_221_a_b_c:In-N-Sm +mp-1206192,Y7(TeAu)2,-6.1320598109,-0.8502713036,0.061460774,0.061460774,GGA,Imm2,A2B2C7_oI22_44_c_ab_a3c:Au-Te-Y,11.0,A2B2C7_oI22_44_c_ab_a3c:Au-Te-Y +mp-1093960,YScHg2,-1.6404586125,1.7111166246,2.18402557,2.18402557,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Hg-Sc-Y +mp-27626,Ge19(AsI)4,-4.3124380928,-0.1506800089,0.0016301994,0.0016301994,GGA,P-43n,A4B19C4_cP54_218_e_cei_ad:As-Ge-I,54.0,A4B19C4_cP54_218_e_cei_ad:As-Ge-I +mp-1212552,Ge12As11I4,-4.2730254213,-0.1019105281,0.0709097796,0.0709097796,GGA,Pm-3n,A11B12C4_cP54_223_ci_k_ad:As-Ge-I,54.0,A11B12C4_cP54_223_ci_k_ad:As-Ge-I +mp-1245883,Sc4Te3N2,-7.3688823561,-1.6541285839,0.0986974933,0.0986974933,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Sc-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Sc-Te +mp-1029574,Na5OsN4,-5.2992044845,-0.1806071248,0.0175692501,0.0175692501,GGA,Pmmn,A4B5C_oP20_59_ef_ag_b:N-Na-Os,20.0,A4B5C_oP20_59_ef_ag_b:N-Na-Os +mp-1246006,Na(OsN2)3,-8.281087028,0.2212726853,0.3699049665,0.3699049665,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:N-Na-Os,20.0,A6BC3_mP20_14_3e_a_de:N-Na-Os +mp-1029595,Na3OsN2,-5.4762594442,-0.1649372508,0.0002097283,0.0002097283,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:N-Na-Os,24.0,A2B3C_mP24_14_2e_3e_e:N-Na-Os +mp-1246261,Na15Os7N19,-6.3840568623,-0.1200847895,0.1095097912,0.1095097912,GGA,P-1,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-Os,82.0,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-Os +mp-1245752,Na6OsN4,-4.8521755573,-0.0786756581,0.1014846827,0.1014846827,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-Os,22.0,A4B6C_tP22_137_g_df_a:N-Na-Os +mp-1245365,NaOsN2,-7.3222936448,-0.0165730015,0.2311474671,0.2311474671,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Na-Os,64.0,A2BC_oP64_61_4c_2c_2c:N-Na-Os +mp-961655,YCdGa,-3.43276057,0.0397250619,0.5396587922,0.5396587922,GGA,F-43m,ABC_cF12_216_a_b_c:Cd-Ga-Y,3.0,ABC_cF12_216_a_b_c:Cd-Ga-Y +mp-1246548,In(FeN)2,-7.280094382,-0.007151182,0.244558288,0.244558288,GGA,R-3m,A2BC2_hR15_166_c_a_c:Fe-In-N,5.0,A2BC2_hR15_166_c_a_c:Fe-In-N +mp-557668,MnPtF6,-5.5373579112,-2.1996051091,0.0,-0.0802452655,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mn-Pt,8.0,A6BC_hR24_148_f_a_b:F-Mn-Pt +mp-1212233,Mn3PtF6,-6.327474312,-1.8248690119,0.8466287360000001,0.8466287360000001,GGA+U,P-1,A6B3C_aP10_2_3i_abe_c:F-Mn-Pt,10.0,A6B3C_aP10_2_3i_abe_c:F-Mn-Pt +mp-1029337,Zr2SeN2,-9.247202314,-1.7943417965,0.014033846,-0.125084089,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Se-Zr,5.0,A2BC2_hP5_164_d_a_d:N-Se-Zr +mp-1079726,Zr2SeN2,-9.26123616,-1.8083756425,0.0,-0.139117935,GGA,P6_3/mmc,A2BC2_hP10_194_f_b_f:N-Se-Zr,10.0,A2BC2_hP10_194_f_b_f:N-Se-Zr +mp-1246279,Zr7(Se2N)4,-7.8684502716,-1.4922831173,0.2380225426,0.2380225426,GGA,P1,A4B8C7_aP19_1_4a_8a_7a:N-Se-Zr,19.0,A4B8C7_aP19_1_4a_8a_7a:N-Se-Zr +mp-1206079,Th2(CoP)3,-5.0742121587,1.4748600169,2.5313439483,2.5313439483,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Co-P-Th,8.0,A3B3C2_tP8_123_ag_bg_g:Co-P-Th +mp-1079824,Th(CoP)2,-7.556315332,-1.0648955613,0.0,-0.1295018425,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Co-P-Th,10.0,A2B2C_tP10_129_ac_bc_c:Co-P-Th +mp-1222147,Mg8P8Ir23,-7.0588520697,-0.4077585674,0.0165375547,0.0165375547,GGA,P2/m,A23B8C8_mP39_10_bcd6m4n_4n_4m:Ir-Mg-P,39.0,A23B8C8_mP39_10_bce4m6n_4m_4n:Ir-Mg-P +mp-5918,Hf2NiP,-8.749350125,-0.9723958133,0.0,-0.0513613021,GGA,P2_1/m,A2BC_mP8_11_2e_e_e:Hf-Ni-P,8.0,A2BC_mP8_11_2e_e_e:Hf-Ni-P +mp-1200507,Hf2(NiP)3,-7.6857241416,-0.9988871891,0.0,-0.0795636542,GGA,Pnma,A2B3C3_oP32_62_2c_3c_3c:Hf-Ni-P,32.0,A2B3C3_oP32_62_2c_3c_3c:Hf-Ni-P +mp-1104541,Hf(Ni2P)2,-7.0434100929,-0.7713614124,0.0,-0.0556022837,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Hf-Ni-P,14.0,AB4C2_tP14_136_a_i_f:Hf-Ni-P +mp-1102542,Hf4NiP,-9.1478833042,-0.6441840864,0.0570446146,0.0570446146,GGA,P4/mcc,A4BC_tP12_124_m_a_c:Hf-Ni-P,12.0,A4BC_tP12_124_m_a_c:Hf-Ni-P +mp-1102032,HfNiP,-8.1106049833,-1.0603955778,0.0,-0.065664935,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Ni-P,12.0,ABC_oP12_62_c_c_c:Hf-Ni-P +mp-13983,ZnPdF6,-4.2206272263,-1.9820648231,0.0,-0.0691168025,GGA,R-3,A6BC_hR24_148_f_a_b:F-Pd-Zn,8.0,A6BC_hR24_148_f_a_b:F-Pd-Zn +mp-1210969,Lu6Al43V4,-4.5317027807,-0.2954558356,0.0,-0.0264626435,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Lu-V +mp-975769,PrYZn2,-3.7706475825,-0.3289315604,0.0076063925,0.0076063925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pr-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Pr-Y-Zn +mp-976578,NdH3,-4.4126012796000005,-0.6760198877,0.0,-0.0601384521,GGA,P-3c1,A3B_hP24_165_adg_f:H-Nd,24.0,"Invalid WP multiplicities - A3B_hP24_165_2a4d3g_f:H-Nd, expected Nd3H28 to be NdH3" +mp-1078999,NdAlH6,-4.0202375413,-0.4114775997,0.0,-0.002992814,GGA,R-3m,AB6C_hR24_166_a_h_b:Al-H-Nd,8.0,AB6C_hR24_166_a_h_b:Al-H-Nd +mp-24096,NdH2,-4.5923544767,-0.7411546358000001,0.0,-0.0842144378,GGA,Fm-3m,A2B_cF12_225_c_a:H-Nd,3.0,A2B_cF12_225_c_a:H-Nd +mp-1104060,Nd2H5,-4.4895680821,-0.7038644979,7.028190000000001e-05,7.028190000000001e-05,GGA,I4_1/amd,A5B2_tI28_141_af_e:H-Nd,14.0,A5B2_tI28_141_af_e:H-Nd +mp-9035,NaLuS2,-5.62604272,-2.0969488332,0.0,-0.1670300787,GGA,R-3m,ABC2_hR12_166_a_b_c:Lu-Na-S,4.0,ABC2_hR12_166_a_b_c:Lu-Na-S +mp-1192621,U8TiSe17,-7.5450473304,-1.4813062836,0.0,-0.0204899136,GGA,C2/m,A17BC8_mC52_12_a4i2j_c_2ij:Se-Ti-U,26.0,A17BC8_mC52_12_a4i2j_d_2ij:Se-Ti-U +mp-1226348,Er9Al5S21,-6.1895623376,-1.9980538906,0.0083804884,0.0083804884,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Er-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Er-S, expected Er24Al5S51 to be Er9Al5S21" +mp-20175,Sc2InC,-6.7065420325,-0.5452201744,0.0143722315,0.0143722315,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-Sc,8.0,ABC2_hP8_194_a_c_f:C-In-Sc +mp-8578,Sc3InC,-6.864095884,-0.6685445765,0.0,-0.21134046,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Sc,5.0,ABC3_cP5_221_b_a_c:C-In-Sc +mp-1100417,VSbRh,-7.1689435133,-0.3098717867,0.1613328014,0.1613328014,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sb-V,3.0,ABC_cF12_216_c_a_b:Rh-Sb-V +mp-1221014,Nb12I21Br,-5.037418175,-0.5165539938,0.2480616472,0.2480616472,GGA,P2_1,AB21C12_mP68_4_a_21a_12a:Br-I-Nb,68.0,AB21C12_mP68_4_a_21a_12a:Br-I-Nb +mp-686084,Nb12I21Br,-5.2682159868,-0.7473518056,0.0172638354,0.0172638354,GGA,Pcc2,AB21C12_oP68_27_a_d10e_6e:Br-I-Nb,68.0,"Invalid WP multiplicities - AB21C12_oP68_27_a_d19e_10e:Br-I-Nb, expected Nb20I39Br to be Nb12I21Br" +mp-686026,Nb24I35Br9,-5.1373327243,-0.6082680451,0.2333411622,0.2333411622,GGA,P1,A9B35C24_aP68_1_9a_35a_24a:Br-I-Nb,68.0,A9B35C24_aP68_1_9a_35a_24a:Br-I-Nb +mp-1186533,PmBeO3,-7.552489682,-2.8864854177,0.2733434989,0.2733434989,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pm,5.0,AB3C_cP5_221_b_c_a:Be-O-Pm +mp-1185032,KAc3,-3.03427757,0.3342034224,0.3342034224,0.3342034224,GGA,Pm-3m,A3B_cP4_221_c_a:Ac-K,4.0,A3B_cP4_221_c_a:Ac-K +mp-1185033,KAc3,-3.0260373075,0.3424436849,0.3424436849,0.3424436849,GGA,Fm-3m,A3B_cF16_225_ac_b:Ac-K,4.0,A3B_cF16_225_ac_b:Ac-K +mp-1184792,K3Ac,-1.4276804688,0.4354124934,0.4354124934,0.4354124934,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-K,8.0,AB3_hP8_194_c_h:Ac-K +mp-863710,KAcTe2,-4.3874070675,-1.5078606322,0.0,-0.4698182853,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ac-K-Te,4.0,ABC2_cF16_225_a_b_c:Ac-K-Te +mp-982007,YTmCu2,-5.0438888425,-0.2587088733,0.017320195,0.017320195,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Tm-Y +mp-541771,Bi4RuI2,-4.3053196393,-0.3648779593,0.0,-0.0486065827,GGA,I4/m,A4B2C_tI28_87_2h_h_e:Bi-I-Ru,14.0,A4B2C_tI28_87_2h_h_e:Bi-I-Ru +mp-1205664,Rb3EuF6,-5.701802325,-3.2350545428,0.0384408983,0.0384408983,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Eu-F-Rb,10.0,AB6C3_tI20_139_a_ei_bd:Eu-F-Rb +mp-1205796,Rb3EuF6,-5.72682407,-3.2600762878,0.0134191533,0.0134191533,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Eu-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Eu-F-Rb +mp-1186904,RbEu3,-7.688871635,0.2490132331,0.2490132331,0.2490132331,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Rb,4.0,A3B_tI8_139_ad_b:Eu-Rb +mp-1186947,RbEu3,-7.6907588925,0.2471259756,0.2471259756,0.2471259756,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Rb,4.0,A3B_cP4_221_c_a:Eu-Rb +mp-1186946,RbEu3,-7.6839517475,0.2539331206,0.2539331206,0.2539331206,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Rb,4.0,A3B_cF16_225_ac_b:Eu-Rb +mp-504520,RbEu3F10,-7.3627554843,-3.7294462595,0.0,-0.0485650838,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Eu-F-Rb,28.0,A3B10C_cF112_225_e_fh_c:Eu-F-Rb +mp-1217985,Ta2MnV3,-10.2508771917,-0.2293290647,0.0,-0.0824959133,GGA,R-3m,AB2C3_hR18_166_a_c_d:Mn-Ta-V,6.0,AB2C3_hR18_166_a_c_d:Mn-Ta-V +mp-1097184,TaMn2V,-5.992397195,3.824031376,4.0641700979,4.0641700979,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Ta-V,4.0,A2BC_oI8_71_e_a_b:Mn-Ta-V +mp-1093808,Ta2MnV,-6.155022575,4.3353465805,4.505904084,4.505904084,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ta-V,4.0,AB2C_oI8_71_a_e_b:Mn-Ta-V +mp-1246980,Sr3Sc2N4,-6.8806908267,-1.20520213,0.1038036461,0.1038036461,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Sc-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Sc-Sr +mp-1245487,Sr3Sc2N4,-6.8697404292,-1.1942517325,0.1147540436,0.1147540436,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Sc-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Sc-Sr +mp-1245891,Sr3ScN3,-6.0576097071,-0.8561191014,0.2288183321,0.2288183321,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Sc-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Sc-Sr +mp-1245988,Sr3Sc3N5,-7.3331909032,-1.3560670577,0.0955276636,0.0955276636,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sc-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sc-Sr +mp-23504,Sr2InI5,-3.3085797863,-1.6213919879,0.0459354587,0.0459354587,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:I-In-Sr,16.0,A5BC2_tI32_140_cl_a_h:I-In-Sr +mp-979041,Tm(AlC)3,-6.52481959,-0.3250253913,0.0,-0.0883757988,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Tm,14.0,"Invalid WP multiplicities - A3B3C_hP14_194_2c3f_2d3f_a:Al-C-Tm, expected Tm(AlC)8 to be Tm(AlC)3" +mp-574239,Tm3AlC,-3.824309454,1.4560400645,1.8242066655,1.8242066655,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-C-Tm,5.0,ABC3_cP5_221_b_a_c:Al-C-Tm +mp-1225110,DyUTe6,-5.3873370887,-1.0425830625,0.001030345,0.001030345,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Dy-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Dy-Te-U +mp-1184142,DyU3,-9.083312835,0.5369413825,0.5369413825,0.5369413825,GGA,I4/mmm,AB3_tI8_139_a_bd:Dy-U,4.0,AB3_tI8_139_a_bd:Dy-U +mp-1225573,DyUTe4,-5.9728438433,-1.2276071061,0.0,-0.010688695,GGA,Imm2,AB4C_oI12_44_a_2bc_a:Dy-Te-U,6.0,AB4C_oI12_44_a_2bc_a:Dy-Te-U +mp-1246102,ZrInN2,-7.73088726,-0.7377937075000001,0.2686471317,0.2686471317,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:In-N-Zr,8.0,AB2C_tP8_129_c_ac_c:In-N-Zr +mp-1084767,Zr2InN,-8.1983862475,-1.1524912687,0.0,-0.06518303,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:In-N-Zr,8.0,ABC2_hP8_194_c_a_f:In-N-Zr +mp-1247336,Sr5(PtN3)2,-5.8664390623,-0.4350003349,0.3170951404,0.3170951404,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Pt-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Pt-Sr +mp-1247376,Sr2PtN2,-5.944803186,-0.7201811707,0.0373507615,0.0373507615,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Pt-Sr,5.0,A2BC2_tI10_139_e_a_e:N-Pt-Sr +mp-1247110,Sr7PtN6,-5.3871199825,-0.5359373365,0.1801651563,0.1801651563,GGA,Ibam,A6BC7_oI56_72_jk_a_bjk:N-Pt-Sr,28.0,A6BC7_oI56_72_jk_a_bjk:N-Pt-Sr +mp-1247311,Sr4PtN4,-5.5883961394,-0.4578309357,0.2759658036,0.2759658036,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Pt-Sr,18.0,A4BC4_aP18_2_4i_i_4i:N-Pt-Sr +mp-1245545,Sr4PtN4,-5.6831629386,-0.5525977349,0.1811990044,0.1811990044,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:N-Pt-Sr,36.0,A4BC4_oP36_62_4c_c_4c:N-Pt-Sr +mp-9886,La(PRu)2,-7.909917904,-1.0476344643,0.0,-0.0862576041,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:La-P-Ru,5.0,AB2C2_tI10_139_a_e_d:La-P-Ru +mp-1199456,La5P12Ru19,-8.2152803986,-0.8304661246,0.0,-0.0346759783,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:La-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:La-P-Ru +mp-15727,La(P3Ru)4,-6.9800646388,-0.6863442068000001,0.0,-0.024505604,GGA,Im-3,AB12C4_cI34_204_a_g_c:La-P-Ru,17.0,AB12C4_cI34_204_a_g_c:La-P-Ru +mp-29380,K2Te2As,-3.4877351443,-0.8544295271000001,0.0,-0.0145803012,GGA,Pnma,AB2C2_oP40_62_2c_4c_2d:As-K-Te,40.0,AB2C2_oP40_62_2c_4c_2d:As-K-Te +mp-8582,Eu(PRh)2,-8.145160358,-0.9827158473,0.0,-0.0557091089,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-P-Rh,5.0,AB2C2_tI10_139_a_e_d:Eu-P-Rh +mp-1229174,Eu6P19Rh30,-7.8899201693,-0.8840293597000001,0.0,-0.0472785364,GGA,P3,A6B19C30_hP55_143_2d_a6d_10d:Eu-P-Rh,55.0,A6B19C30_hP55_143_2d_a6d_10d:Eu-P-Rh +mp-982321,Yb3W,-3.6224215762,0.7718171913,0.7718171913,0.7718171913,GGA,P6_3/mmc,AB3_hP8_194_c_h:W-Yb,,AB3_hP8_194_c_h:W-Yb +mp-979939,Yb3W,-3.6383770675,0.7558617,0.7558617,0.7558617,GGA,Fm-3m,AB3_cF16_225_a_bc:W-Yb,,AB3_cF16_225_a_bc:W-Yb +mp-1204729,Yb6Al43W4,-4.4154600949,-0.2243293158,0.0,-0.0322457553,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-W-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-W-Yb +mp-10060,DyBPd3,-5.9903465360000006,-0.6251817278,0.1129342504,0.1129342504,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Dy-Pd,5.0,ABC3_cP5_221_b_a_c:B-Dy-Pd +mp-29846,Tb10B2Br15,-4.9590187685,-1.8850236022,0.0,-0.0217376806,GGA,P-1,A2B15C10_aP27_2_i_a7i_5i:B-Br-Tb,27.0,"Invalid WP multiplicities - A2B15C10_aP27_2_i_a8i_5i:B-Br-Tb, expected Tb10B2Br17 to be Tb10B2Br15" +mp-29954,Tb16B4Br23,-5.0126775614,-1.8362339271,0.0,-0.0004714425,GGA,C2/m,A4B23C16_mC86_12_gi_a3i4j_2i3j:B-Br-Tb,43.0,"Invalid WP multiplicities - A4B23C16_mC86_12_gi_a3i5j_2i3j:B-Br-Tb, expected Tb16B4Br27 to be Tb16B4Br23" +mp-1208486,Tb3BBr3,-5.1598381907,-1.5538988963,0.0,-0.0286167895,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Br-Tb,28.0,AB3C3_cI56_214_a_h_g:B-Br-Tb +mp-29847,Tb4BBr6,-5.0050380445,-1.8654902127,0.0,-0.0042052467,GGA,C2/c,AB6C4_mC88_15_f_6f_4f:B-Br-Tb,44.0,AB6C4_mC88_15_f_6f_4f:B-Br-Tb +mp-1215800,Zn(WSe2)2,-6.51969256,-0.6397425628,0.1928393975,0.1928393975,GGA,P3m1,A4B2C_hP7_156_2a2b_ab_a:Se-W-Zn,7.0,A4B2C_hP7_156_2a2b_ab_a:Se-W-Zn +mp-1017631,ScBPd3,-6.25457111,-0.5442698488000001,0.1568731911,0.1568731911,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Sc,5.0,AB3C_cP5_221_b_c_a:B-Pd-Sc +mp-1103180,TaPRu,-9.6268371158,-0.7783428903,0.0,-0.1402788188,GGA,Pnma,ABC_oP12_62_c_c_c:P-Ru-Ta,12.0,ABC_oP12_62_c_c_c:P-Ru-Ta +mp-1100410,TaPRu,-8.8176112467,0.0308829789,0.8092258692000001,0.6689470503,GGA,F-43m,ABC_cF12_216_a_b_c:P-Ru-Ta,3.0,ABC_cF12_216_a_b_c:P-Ru-Ta +mp-20657,Li2BPd3,-4.8002888525,-0.4608083635,0.0,-0.0912288857,GGA,P4_332,AB2C3_cP24_212_a_c_d:B-Li-Pd,24.0,AB2C3_cP24_212_a_c_d:B-Li-Pd +mp-1225531,DyUAl4,-5.39108493,-0.2443349017,0.1136046071,0.1136046071,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Dy-U,6.0,A4BC_cF24_216_e_a_c:Al-Dy-U +mp-1191981,Ta7(B4Ru3)2,-9.8011019414,-0.6541499025,0.0,-0.0156489071,GGA,P6/m,A8B6C7_hP21_175_ck_k_aj:B-Ru-Ta,21.0,A8B6C7_hP21_175_ck_k_aj:B-Ru-Ta +mp-1205358,TaBRu,-9.8857788806,-0.6152549003000001,0.0144045236,0.0105010244,GGA,Pmma,ABC_oP18_51_ej_fj_ei:B-Ru-Ta,18.0,ABC_oP18_51_ej_fj_ei:B-Ru-Ta +mp-1195237,TaBRu,-9.9001834042,-0.6296594239000001,0.0,-0.0039034992,GGA,Pbam,ABC_oP36_55_2gh_3g_3h:B-Ru-Ta,36.0,ABC_oP36_55_2gh_3g_3h:B-Ru-Ta +mp-1188194,Ta3B2Ru5,-10.0591178345,-0.5287049213,0.0,-0.067664454,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Ru-Ta,20.0,A2B5C3_tP20_127_g_cj_ag:B-Ru-Ta +mp-1228540,Al2VNi9,-6.1135556892,-0.3971983683,0.0,-0.0160671717,GGA,P4/mmm,A2B9C_tP12_123_g_cehi_a:Al-Ni-V,12.0,"Invalid WP multiplicities - A2B9C_tP12_123_g_c2eh3i_a:Al-Ni-V, expected Al2VNi19 to be Al2VNi9" +mp-1228840,AlVNi2,-6.477754755,-0.38031594,0.0531339049,0.0531339049,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Ni-V,4.0,AB2C_tP4_123_a_h_b:Al-Ni-V +mp-10899,AlVNi2,-6.4846037125,-0.3871648975,0.0462849474,0.0462849474,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ni-V,4.0,AB2C_cF16_225_a_c_b:Al-Ni-V +mp-1228506,Al4VNi15,-5.9473416745000005,-0.408928695,0.003028512,0.003028512,GGA,P4/mmm,A4B15C_tP20_123_2g_ce2h2i_a:Al-Ni-V,20.0,"Invalid WP multiplicities - A4B15C_tP20_123_3g_c2e3h7i_a:Al-Ni-V, expected Al6VNi39 to be Al4VNi15" +mp-961650,AlVNi,-5.8278646533,0.37534154,0.8145682033,0.8145682033,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Ni-V,3.0,ABC_cF12_216_a_b_c:Al-Ni-V +mp-1193662,Sr(ErS2)2,-6.3271345571,-2.4170301942,0.0,-0.0423795574,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Er-S-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Er-S-Sr +mp-38728,Sr(ErS2)2,-6.2336048014,-2.3235004385,0.0935297557,0.0511501983,GGA,I-42d,A2B4C_tI28_122_d_e_a:Er-S-Sr,14.0,A2B4C_tI28_122_d_e_a:Er-S-Sr +mp-572604,Eu2Re6S11,-8.5303536529,-1.1260317979,0.0231242442,0.0231242442,GGA,R-3c,A2B6C11_hR114_167_c_f_cef:Eu-Re-S,38.0,"Invalid WP multiplicities - A2B6C11_hR114_167_c_f_4c5e5f:Eu-Re-S, expected Eu2Re6S53 to be Eu2Re6S11" +mp-1184440,Eu3Re,-10.2196618225,0.5842213237,0.5842213237,0.5842213237,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Re,4.0,A3B_tI8_139_ad_b:Eu-Re +mp-1006150,Eu3Re,-10.207185185,0.5966979612000001,0.5966979612000001,0.5966979612000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Re,4.0,A3B_cF16_225_ac_b:Eu-Re +mp-1101994,EuRe2,-11.5113906058,0.2039614508,0.2039614508,0.2039614508,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Eu-Re,12.0,AB2_hP12_194_f_ah:Eu-Re +mp-1105931,Pr(TmS2)3,-6.6864362235,-2.3837251009,0.0,-0.0083786062,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Pr-S-Tm,20.0,AB6C3_mP20_11_e_6e_3e:Pr-S-Tm +mp-1203583,Pr4(TmS2)11,-6.6588469751,-2.3518277928,0.0248256827,0.0248256827,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Pr-S-Tm,37.0,A4B22C11_mC74_12_2i_11i_a5i:Pr-S-Tm +mp-1201800,PrTmS3,-6.7058854992,-2.3726673435,0.0017217601,0.0017217601,GGA,P2_1/m,AB3C_mP40_11_4e_12e_4e:Pr-S-Tm,40.0,AB3C_mP40_11_4e_12e_4e:Pr-S-Tm +mp-999088,ThCoC2,-8.557963665,-0.3130869075,0.0,-0.114068105,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Th,4.0,A2BC_oC8_38_d_a_b:C-Co-Th +mp-1226600,CeNd3C8,-7.963624435,-0.124719819,0.0324297237,0.0324297237,GGA,P4/mmm,A8BC3_tP12_123_2g2h_a_bh:C-Ce-Nd,12.0,"Invalid WP multiplicities - A8BC3_tP12_123_4g3h_a_b2h:C-Ce-Nd, expected CeNd5C14 to be CeNd3C8" +mp-1226536,CeNdC4,-8.0659403833,-0.1299572904,0.0458208488,0.0458208488,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Ce-Nd,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Ce-Nd, expected CeNdC6 to be CeNdC4" +mp-1226856,Ce3NdC8,-8.17456215,-0.1415005802,0.0529061554,0.0529061554,GGA,P4/mmm,A8B3C_tP12_123_2g2h_ah_b:C-Ce-Nd,12.0,"Invalid WP multiplicities - A8B3C_tP12_123_4g3h_a2h_b:C-Ce-Nd, expected Ce5NdC14 to be Ce3NdC8" +mp-1186363,NpTi3,-8.9279002275,0.2306637053,0.2306637053,0.2306637053,GGA,Pm-3m,AB3_cP4_221_a_c:Np-Ti,4.0,AB3_cP4_221_a_c:Np-Ti +mp-977152,NpTiO3,-10.281836402,-3.1451688357,0.17949956,0.17949956,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Ti,5.0,AB3C_cP5_221_a_c_b:Np-O-Ti +mp-1245902,Ru3Pb3N5,-6.9494471664,0.3817913295,0.3817913295,0.3817913295,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Ru,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Ru +mp-1246441,Ru2Pb3N4,-6.6321641872,0.3714720339,0.3714720339,0.3714720339,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Pb-Ru,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Pb-Ru +mp-1247019,Ru(PbN)4,-5.9977153372,0.3879480539,0.3879480539,0.3879480539,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Pb-Ru,18.0,A4B4C_aP18_2_4i_4i_i:N-Pb-Ru +mp-569380,BaCeI4,-4.1192108517,-1.8282892692,0.0,-0.0212085001,GGA,C2/c,ABC4_mC24_15_e_e_2f:Ba-Ce-I,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_e_3f:Ba-Ce-I, expected BaCeI6 to be BaCeI4" +mp-1211495,La3PtI3,-5.1270151136,-1.5128360157,0.0,-0.0614314473,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-Pt,28.0,A3B3C_cI56_214_h_g_a:I-La-Pt +mp-1220335,NbMoW,-11.35941213,-0.0577170033,0.0,-0.0081839667,GGA,Fmm2,ABC_oF12_42_a_a_a:Mo-Nb-W,3.0,ABC_oF12_42_a_a_a:Mo-Nb-W +mp-1096008,NbMoW2,-6.6968016725,5.01900223,5.0622899825,5.0622899825,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-W,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-W +mp-1095899,Nb2MoW,-6.26123794,4.740359665,4.798267785,4.798267785,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-W,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-W +mp-1097632,NbMo2W,-6.496893375,4.6907904975,4.73407825,4.73407825,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Nb-W,4.0,A2BC_oI8_71_e_a_b:Mo-Nb-W +mp-560119,TbCl2F,-5.8614258588,-3.3006962619,0.0043300246,0.0043300246,GGA,C2/c,A2BC_mC16_15_f_a_e:Cl-F-Tb,8.0,A2BC_mC16_15_f_c_e:Cl-F-Tb +mp-862719,LiY2Os,-6.730767815,-0.2134596842,0.0,-0.0265057952,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Y,4.0,ABC2_cF16_225_a_b_c:Li-Os-Y +mp-1186707,PmYIn2,-4.671937995,-0.491842771,0.0,-0.0923365963,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Pm-Y,4.0,A2BC_cF16_225_c_a_b:In-Pm-Y +mp-1216806,U2Be25Ga,-4.2568092182,-0.0033721587,0.0566506884,0.0566506884,GGA,Fm-3,A25BC2_cF112_202_a2h_b_c:Be-Ga-U,28.0,"Invalid WP multiplicities - A25BC2_cF112_202_a6h_b_c:Be-Ga-U, expected U2Be73Ga to be U2Be25Ga" +mp-1222795,LaNdN2,-8.1012675425,-1.5069814456,0.0111477637,0.0111477637,GGA,R-3m,AB2C_hR12_166_a_c_b:La-N-Nd,4.0,AB2C_hR12_166_a_c_b:La-N-Nd +mp-674395,Tl5SnF9,-4.4984222353,-2.2966823489,0.0206329855,0.0206329855,GGA,Pmc2_1,A9BC5_oP30_26_2a3b2c_a_b2c:F-Sn-Tl,30.0,"Invalid WP multiplicities - A9BC5_oP30_26_4a6b4c_a_2b4c:F-Sn-Tl, expected Tl10SnF18 to be Tl5SnF9" +mp-10401,Tl2SnF6,-4.7958457189,-2.550986613,0.0,-0.116693532,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Sn-Tl,9.0,A6BC2_hP9_164_i_a_d:F-Sn-Tl +mp-676130,TlSnF3,-4.7785582097,-2.3572278289,0.0,-0.0287093527,GGA,Cc,A3BC_mC80_9_12a_4a_4a:F-Sn-Tl,40.0,A3BC_mC80_9_24a_8a_8a:F-Sn-Tl +mp-1216794,TlSn2F5,-4.81989142,-2.3274937082,0.1093956283,0.1093956283,GGA,Cm,A5B2C_mC16_8_3ab_2a_a:F-Sn-Tl,8.0,A5B2C_mC16_8_3ab_2a_a:F-Sn-Tl +mp-17649,TlSnF7,-4.6718357492,-2.4771059965,0.0,-0.0383796878,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sn-Tl,36.0,A7BC_mP36_14_7e_e_e:F-Sn-Tl +mp-1093754,YScRu2,-5.2249899325,2.6119463921,3.0448637691,3.0448637691,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Ru-Sc-Y +mp-20990,Pr3InN,-5.984878114,-0.89869893,0.0,-0.106336304,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-N-Pr,5.0,ABC3_cP5_221_a_b_c:In-N-Pr +mp-1245755,MgAuN,-4.5340777667,-0.1305254417,0.3824213391,0.3824213391,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Mg-N,12.0,ABC_oP12_62_c_c_c:Au-Mg-N +mp-973535,K3Sc,-1.800955025,0.6149614615,0.6149614615,0.6149614615,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Sc,4.0,A3B_cF16_225_ac_b:K-Sc +mp-631466,KSc2Co,-4.2735295375,0.9473842005,1.1511972224,1.1511972224,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-K-Sc,4.0,ABC2_cF16_216_a_c_bd:Co-K-Sc +mp-1183414,BeAuO3,-4.999525536,-0.6288533363000001,0.8418518291,0.8418518291,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Au-Be-O,5.0,ABC3_cP5_221_a_b_c:Au-Be-O +mp-15780,MgPPt5,-5.9192723286,-0.5808081633000001,0.0,-0.0726509136,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Mg-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Mg-P-Pt +mp-1212811,DyPPd,-6.3346817383000005,-1.2680246861,0.0,-0.0489873737,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-P-Pd,12.0,ABC_oP12_62_c_c_c:Dy-P-Pd +mp-1207097,Dy(PPd)2,-6.087185172,-0.9285540773,0.0120642953,0.0120642953,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Dy-P-Pd +mp-1213204,Dy3(P3Pd10)2,-5.8998035783,-0.7309135176,0.0,-0.0455849996,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Dy-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Dy-P-Pd +mp-1227454,Ca6P19Rh30,-6.9849183982,-0.8791805253,0.0058802516,0.0058802516,GGA,P3,A6B19C30_hP55_143_2d_a6d_10d:Ca-P-Rh,55.0,A6B19C30_hP55_143_2d_a6d_10d:Ca-P-Rh +mp-8580,Ca(PRh)2,-6.472062028,-0.9598979013,0.0,-0.0259323853,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-P-Rh,5.0,AB2C2_tI10_139_a_e_d:Ca-P-Rh +mp-10582,Ca5P12Rh19,-6.8979984358,-0.9282906856,0.0,-0.064354226,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Ca-P-Rh,36.0,"Invalid WP multiplicities - A5B12C19_hP36_189_cg_3f2k_afg2j2k:Ca-P-Rh, expected Ca5P21Rh31 to be Ca5P12Rh19" +mp-8689,V4GeSe8,-6.2472454838,-0.9452497949,0.0,-0.0163523504,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ge-Se-V,13.0,AB8C4_cF52_216_a_2e_e:Ge-Se-V +mp-2420227,V4GeSe8,-6.2433000346,-0.9413043457,0.0039454492,-0.0124069012,GGA,R3m,AB8C4_hR39_160_a_2a2b_ab:Ge-Se-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_160_a_2a4b_a2b:Ge-Se-V, expected V7GeSe14 to be V4GeSe8" +mp-1186787,PuMgO3,-8.940718498,-2.7990815953,0.612902516,0.612902516,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Pu,5.0,AB3C_cP5_221_b_c_a:Mg-O-Pu +mp-1209273,Rb3GeF7,-4.914074405,-3.0099850555,0.0038260695,0.0038260695,GGA,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Ge-Rb,22.0,A7BC3_tP22_127_ahk_c_bg:F-Ge-Rb +mp-7949,Rb2GeF6,-5.0412638456,-3.0353783117,0.0093822911,-0.0846593893,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ge-Rb,9.0,A6BC2_hP9_164_i_a_d:F-Ge-Rb +mp-13954,Rb2GeF6,-5.0472976744,-3.0414121406,0.0033484622,-0.0906932181,GGA,P6_3mc,A6BC2_hP18_186_2c_b_ab:F-Ge-Rb,18.0,A6BC2_hP18_186_2c_b_ab:F-Ge-Rb +mp-8812,Rb2GeF6,-5.0506461367,-3.0447606028,0.0,-0.0940416804,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:F-Ge-Rb,9.0,A6BC2_cF36_225_e_a_c:F-Ge-Rb +mp-1203429,Tm2B6Os,-7.399123924399999,-0.7040807131,0.0,-0.0873086497,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-Tm,36.0,A6BC2_oP36_55_6h_g_2g:B-Os-Tm +mp-982777,TmB4Os,-7.6691590604,-0.5990307376,0.0,-0.0163532919,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Os-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Os-Tm +mp-1188249,TmB2Os,-7.8875049713,-0.6220083725000001,0.0,-0.0023569956,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Tm,16.0,A2BC_oP16_62_d_c_c:B-Os-Tm +mp-1189925,HoB2Os,-7.8831244594,-0.590984499,0.0,-0.0052834,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ho-Os,16.0,A2BC_oP16_62_d_c_c:B-Ho-Os +mp-1200778,Ho2B6Os,-7.3902447156,-0.6715185161,0.0,-0.0802155194,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Ho-Os,36.0,A6B2C_oP36_55_6h_2g_g:B-Ho-Os +mp-1190601,HoB4Os,-7.6767573754,-0.5888668115,0.0,-0.0263771088,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Os,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Os +mp-18347,KAlTe2,-3.7901830962,-1.0045364553,0.0,-0.0570730459,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Al-K-Te,32.0,"Invalid WP multiplicities - ABC2_mC64_15_3f_4f_2e3f:Al-K-Te, expected K4Al3Te4 to be KAlTe2" +mp-10165,KAlTe2,-3.781908925,-0.9962622841,0.0082741713,-0.0487988747,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Al-K-Te,8.0,ABC2_tI16_140_b_a_h:Al-K-Te +mp-18378,K3AlTe3,-3.4791089068,-1.1210102852,0.0,-0.0478360461,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-K-Te,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_5e_3e:Al-K-Te, expected K5AlTe3 to be K3AlTe3" +mp-568681,Mg8BPt4,-4.0304911185,-0.6638630069,0.0,-0.0062273663,GGA,Fd-3m,AB8C4_cF104_227_a_cf_e:B-Mg-Pt,26.0,"Invalid WP multiplicities - AB8C4_cF104_227_a_4c5f_e:B-Mg-Pt, expected Mg38BPt4 to be Mg8BPt4" +mp-1208551,Tb(ZnP)3,-4.1299300979,-0.6080008907000001,0.0,-0.0138264575,GGA,P6_3/mmc,A3BC3_hP14_194_cf_a_df:P-Tb-Zn,14.0,A3BC3_hP14_194_cf_a_df:P-Tb-Zn +mp-8269,Lu2CdS4,-5.7468449579000005,-1.9596177768,0.0,-0.0292138071,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Lu-S,14.0,AB2C4_cF56_227_a_d_e:Cd-Lu-S +mp-1104330,Er(Mo3S4)2,-8.005096966,-1.156215739,0.0192094144,0.0192094144,GGA,R-3,AB6C8_hR45_148_a_f_cf:Er-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Er-Mo-S +mp-1219007,SmGdS2,-9.0703060275,-2.3034040003,0.0,-0.01007744,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-S-Sm,4.0,AB2C_hR12_166_a_c_b:Gd-S-Sm +mp-1219448,Sm4GdS5,-7.607367737,-2.2440961256,0.041860108,0.041860108,GGA,Immm,AB5C4_oI20_71_a_c2f_2e:Gd-S-Sm,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_c3f_3e:Gd-S-Sm, expected Sm6GdS7 to be Sm4GdS5" +mp-1219055,SmGdS3,-8.620073582,-2.3792619869,0.0,-0.0048785935,GGA,Pnma,AB3C_oP20_62_c_3c_c:Gd-S-Sm,20.0,AB3C_oP20_62_c_3c_c:Gd-S-Sm +mp-676424,Sm(GdS2)2,-9.3925102379,-2.3329916546,0.027146545,0.027146545,GGA,I-42d,A2B4C_tI28_122_d_e_a:Gd-S-Sm,14.0,A2B4C_tI28_122_d_e_a:Gd-S-Sm +mp-1207498,Zr6SiI14,-4.9616552169,-1.278862326,0.0,-0.0403505587,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:I-Si-Zr,42.0,A14BC6_oC84_64_def2g_a_fg:I-Si-Zr +mp-1217018,TiBeB,-6.6499355033,-0.5451699525,0.0845739635,0.0845739635,GGA,P-6m2,ABC_hP3_187_a_c_f:B-Be-Ti,3.0,ABC_hP3_187_a_c_f:B-Be-Ti +mp-1208786,TbBi2C,-4.6343955094,0.7516069537000001,1.1993663962,1.1993663962,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Tb,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Tb +mp-983513,PmRuO3,-7.959914948,-2.1869127487,0.3878489305,0.3878489305,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pm-Ru,5.0,A3BC_cP5_221_c_a_b:O-Pm-Ru +mp-1186675,PmYTl2,-4.3693331225,-0.3837581902,0.0,-0.0711435219,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Pm-Tl-Y +mp-865561,Y2AgRu,-6.605630805,-0.3456556125,0.0,-0.0154528087,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Ru-Y +mp-530217,PrZr3F15,-7.2135715164,-4.1032456134,0.00756541,0.00756541,GGA,P-1,A15BC3_aP76_2_30i_2i_6i:F-Pr-Zr,76.0,"Invalid WP multiplicities - A15BC3_aP76_2_59i_3i_11i:F-Pr-Zr, expected Pr3Zr11F59 to be PrZr3F15" +mp-1219817,PrZr3F15,-7.2113587321,-4.1010328291,0.0097781943,0.0097781943,GGA,C2/c,A15BC3_mC76_15_e7f_e_ef:F-Pr-Zr,38.0,"Invalid WP multiplicities - A15BC3_mC76_15_2e19f_e_ef:F-Pr-Zr, expected PrZr3F40 to be PrZr3F15" +mp-28781,PrZr3F15,-7.2165051211,-4.106179218,0.0046318054,0.0046318054,GGA,R3m,A15BC3_hR57_160_3bc_a_b:F-Pr-Zr,19.0,"Invalid WP multiplicities - A15BC3_hR57_160_3b2c_a_b:F-Pr-Zr, expected PrZr3F21 to be PrZr3F15" +mp-1209283,PrZrF7,-7.1793969289,-4.2117348003,0.0,-0.0039200058,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Pr-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Pr-Zr +mp-554610,PrZr2F11,-7.2139648779,-4.149495188,0.0,-0.00938739,GGA,Ibam,A11BC2_oI56_72_cj2k_b_j:F-Pr-Zr,28.0,"Invalid WP multiplicities - A11BC2_oI56_72_2c4j14k_b_j:F-Pr-Zr, expected PrZr2F66 to be PrZr2F11" +mp-28683,Ta(ICl)2,-5.023597682,-1.323280952,0.0,-0.0052478236,GGA,Immm,A2B2C_oI20_71_l_ef_g:Cl-I-Ta,10.0,A2B2C_oI20_71_l_ef_g:Cl-I-Ta +mp-567537,TaI4,-4.348741835,-0.7984932290000001,0.0050358153,0.0050358153,GGA,P-1,A4B_aP20_2_8i_2i:I-Ta,20.0,"Invalid WP multiplicities - A4B_aP20_2_15i_2i:I-Ta, expected Ta2I15 to be TaI4" +mp-23238,Ta3I7,-5.3655160932,-0.7768263592,0.0,-0.0781447839,GGA,Cmce,A7B3_oC80_64_def2g_fg:I-Ta,40.0,A7B3_oC80_64_def2g_fg:I-Ta +mp-570679,TaI5,-4.0165315027,-0.8124299394000001,0.0,-0.1470189152,GGA,Pnma,A5B_oP48_62_2c4d_d:I-Ta,48.0,"Invalid WP multiplicities - A5B_oP48_62_8c30d_d:I-Ta, expected TaI34 to be TaI5" +mp-32554,Ta2I5,-4.7820172171,-0.3416762157,0.4389648128,0.4389648128,GGA,P1,A5B2_aP7_1_5a_2a:I-Ta,7.0,A5B2_aP7_1_5a_2a:I-Ta +mp-29612,RbEu2I5,-5.4749267159,-1.8672555381,0.0022733997,0.0022733997,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Eu-I-Rb,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_10e_e:Eu-I-Rb, expected RbEu3I10 to be RbEu2I5" +mp-1096642,YMnAu2,-3.959294895,1.5847677064,2.2308976755,2.2308976755,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Mn-Y,4.0,A2BC_oI8_71_e_a_b:Au-Mn-Y +mp-1189061,Y3MnAu5,-5.6969186761,-0.7046032725,0.0665515286,0.0665515286,GGA,R-3,A5BC3_hR54_148_abcf_c_f:Au-Mn-Y,18.0,A5BC3_hR54_148_abcf_c_f:Au-Mn-Y +mp-1193127,Zr4Ru2N,-9.6093985311,-0.8842410275,0.0636513504,0.0636513504,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Ru-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Ru-Zr +mp-1078010,YIn5Co,-4.1310117029,-0.226267766,0.0178888569,0.0178888569,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Y,7.0,AB5C_tP7_123_b_ci_a:Co-In-Y +mp-1192970,Y8In3Co,-5.9587118758,-0.3674503849,0.0,-0.0250159667,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-In-Y,24.0,AB3C8_hP24_186_b_c_ab2c:Co-In-Y +mp-1207941,Y6InCo2,-6.4648112300000005,-0.2684616744,0.0,-0.0152226718,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-In-Y,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-In-Y +mp-1101092,Y2In8Co,-4.1194255855,-0.2962683253,0.0112789671,0.0112789671,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-In-Y,11.0,AB8C2_tP11_123_a_ehi_g:Co-In-Y +mp-1079716,YInCo2,-6.1056598225,-0.2469622142,0.0201961551,0.0201961551,GGA,Pmma,A2BC_oP8_51_af_e_f:Co-In-Y,8.0,A2BC_oP8_51_af_e_f:Co-In-Y +mp-980661,YTlAg2,-3.869813495,-0.2462569283,0.0201334332,0.0201334332,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Tl-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Tl-Y +mp-865654,Y2TlAg,-4.908600945,-0.3765656008,0.0,-0.0272384925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Tl-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Tl-Y +mp-1018726,HfVGe,-8.5070784667,-0.6190374817000001,0.0,-0.0843462417,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Hf-V,6.0,ABC_tP6_129_c_c_a:Ge-Hf-V +mp-10312,HfVGe,-8.496528545,-0.60848756,0.0105499217,-0.07379632,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-Hf-V,6.0,ABC_tI12_139_e_e_c:Ge-Hf-V +mp-1224430,Hf2V3Ge,-8.9045104908,-0.2729898033,0.055329995,0.055329995,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Ge-Hf-V,12.0,AB2C3_hP12_194_a_f_h:Ge-Hf-V +mp-1213927,Ce3PBr3,-5.8198390521,-1.8381740576,0.0,-0.0566220523,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-Ce-P,28.0,A3B3C_cI56_214_h_g_a:Br-Ce-P +mp-1095603,YAsSe,-6.4685750817,-1.5947414163,0.0,-0.0399184417,GGA,Pnma,ABC_oP12_62_c_c_c:As-Se-Y,12.0,ABC_oP12_62_c_c_c:As-Se-Y +mp-38494,Y4AsSe3,-7.0541631237,-1.9275709623,0.0,-0.0432000512,GGA,I4/mmm,AB3C4_tI16_139_a_bd_ce:As-Se-Y,8.0,AB3C4_tI16_139_a_bd_ce:As-Se-Y +mp-1191470,Th2Fe17H3,-7.7723205573,-0.0906725934,0.038577953,0.038577953,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Th,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Th +mp-556130,GeXeF10,-3.5606739019,-1.5795079269,0.0054077864,0.0054077864,GGA,Pnma,A10BC_oP48_62_4c3d_a_c:F-Ge-Xe,48.0,"Invalid WP multiplicities - A10BC_oP48_62_16c24d_a_c:F-Ge-Xe, expected GeXeF64 to be GeXeF10" +mp-1246762,TaAuN2,-8.4475548111,-0.4963924411,0.3513358431,0.3513358431,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Au-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:Au-N-Ta +mp-540957,Cs2TeI6,-2.6374322289,-1.1069534803,0.0,-0.0529868703,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Te,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Te +mp-755954,BaSr2I6,-3.5458537978,-1.974947137,0.0505027125,0.0505027125,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_9e_e:Ba-I-Sr, expected BaSr2I18 to be BaSr2I6" +mp-772862,BaSr2I6,-3.5659444256,-1.9950377648,0.0304120847,0.0304120847,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ba-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_21e_7e:Ba-I-Sr, expected BaSr7I21 to be BaSr2I6" +mp-752711,BaSr2I6,-3.5390433675,-1.9681367068,0.0573131428,0.0573131428,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ba-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_21e_5e:Ba-I-Sr, expected BaSr5I21 to be BaSr2I6" +mp-754667,BaSr2I6,-3.5666297472,-1.9957230865,0.0297267631,0.0297267631,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_9f_f:Ba-I-Sr, expected BaSr2I18 to be BaSr2I6" +mp-1178509,BaSr2I6,-3.54489316,-1.9739864993,0.0514633503,0.0514633503,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_5f_f:Ba-I-Sr, expected BaSr2I10 to be BaSr2I6" +mp-1178516,BaSr2I6,-3.5861608611,-2.0152542004,0.0101956492,0.0101956492,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_11f_f:Ba-I-Sr, expected BaSr2I22 to be BaSr2I6" +mp-772876,BaSr2I6,-3.5792462347000003,-2.008339574,0.0171102756,0.0171102756,GGA,Pbcn,AB6C2_oP36_60_c_3d_2c:Ba-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_oP36_60_c_9d_7c:Ba-I-Sr, expected BaSr7I18 to be BaSr2I6" +mp-1178512,BaSr2I6,-3.5615173811,-1.9906107204,0.0348391292,0.0348391292,GGA,Cmce,AB6C2_oC36_64_a_eg_d:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_oC36_64_a_3e4g_d:Ba-I-Sr, expected BaSr2I22 to be BaSr2I6" +mp-772861,BaSr2I6,-3.5638362411,-1.9929295804,0.0325202692,0.0325202692,GGA,P-4b2,AB6C2_tP36_117_ad_3i_ef:Ba-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_tP36_117_2ad_14i_3e3f:Ba-I-Sr, expected Ba3Sr12I56 to be BaSr2I6" +mp-754224,BaSr2I6,-3.5765472461,-2.0056405854,0.0198092642,0.0198092642,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ba-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_2f3j_e:Ba-I-Sr, expected BaSr2I16 to be BaSr2I6" +mp-752439,BaSr2I6,-3.5694318344,-1.9985251737,0.0269246758,0.0269246758,GGA,P321,AB6C2_hP27_150_ad_3g_ef:Ba-I-Sr,27.0,"Invalid WP multiplicities - AB6C2_hP27_150_a2d_16g_3e2f:Ba-I-Sr, expected Ba5Sr15I96 to be BaSr2I6" +mp-754212,BaSr2I6,-3.58205721,-2.0111505493,0.0142993003,0.0142993003,GGA,P-31m,AB6C2_hP9_162_a_k_d:Ba-I-Sr,9.0,AB6C2_hP9_162_a_k_d:Ba-I-Sr +mp-768735,Ba2SrI6,-3.6125074914,-2.0161028877,0.0388564817,0.0388564817,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ba-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_5e_21e_e:Ba-I-Sr, expected Ba5SrI21 to be Ba2SrI6" +mp-756202,Ba2SrI6,-3.6325989839,-2.0361943802,0.0187649892,0.0187649892,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:Ba-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mP18_14_e_9e_a:Ba-I-Sr, expected Ba2SrI18 to be Ba2SrI6" +mp-772878,Ba2SrI6,-3.6346224889,-2.0382178852,0.0167414842,0.0167414842,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ba-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_7e_21e_e:Ba-I-Sr, expected Ba7SrI21 to be Ba2SrI6" +mp-754408,Ba2SrI6,-3.595078785,-1.9986741813,0.0562851881,0.0562851881,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ba-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_9f_e:Ba-I-Sr, expected Ba2SrI18 to be Ba2SrI6" +mp-1178555,Ba2SrI6,-3.6122249511,-2.0158203474,0.0391390219,0.0391390219,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ba-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_5f_e:Ba-I-Sr, expected Ba2SrI10 to be Ba2SrI6" +mp-756624,Ba2SrI6,-3.6301854778,-2.0337808741,0.0211784953,0.0211784953,GGA,Pbcn,A2B6C_oP36_60_2c_3d_c:Ba-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_7c_9d_c:Ba-I-Sr, expected Ba7SrI18 to be Ba2SrI6" +mp-1186373,Os3O,-8.9942351775,0.6629625728,1.1670559725,1.1670559725,GGA,P6_3/mmc,AB3_hP8_194_c_h:O-Os,8.0,AB3_hP8_194_c_h:O-Os +mp-1186352,Os3O,-9.0007242175,0.6564735328,1.1605669325,1.1605669325,GGA,Fm-3m,AB3_cF16_225_a_bc:O-Os,4.0,AB3_cF16_225_a_bc:O-Os +mp-975596,PuIrO3,-8.761225264,-1.1719575353,1.3969327675,1.3969327675,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ir-O-Pu,5.0,AB3C_cP5_221_a_c_b:Ir-O-Pu +mp-1197886,RbBeN3,-5.0920303751,0.8538559674,1.5164148292,1.5164148292,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Be-N-Rb,80.0,AB3C_oP80_61_2c_6c_2c:Be-N-Rb +mp-1214420,BaHfF6,-7.1300930331,-4.2119633112,0.0,-0.0710002627,GGA,Cmme,AB6C_oC32_67_g_mo_a:Ba-F-Hf,16.0,AB6C_oC32_67_g_mo_a:Ba-F-Hf +mp-12921,PrPIr,-7.4733601433,-1.1291459961,0.0,-0.1008268054,GGA,I4_1md,ABC_tI12_109_a_a_a:Ir-P-Pr,6.0,ABC_tI12_109_a_a_a:Ir-P-Pr +mp-569886,KIn9Ni2,-3.2243028783,-0.1046507219,0.0232305703,0.0232305703,GGA,P6/mmm,A9BC2_hP12_191_fm_a_c:In-K-Ni,12.0,"Invalid WP multiplicities - A9BC2_hP12_191_2f2m_a_c:In-K-Ni, expected K(In9Ni)2 to be KIn9Ni2" +mp-583234,Bi4I,-3.578695815,-0.211631241,0.0140641473,0.0140641473,GGA,C2/m,A4B_mC40_12_8i_2i:Bi-I,20.0,"Invalid WP multiplicities - A4B_mC40_12_14i_2i:Bi-I, expected Bi7I to be Bi4I" +mp-1079786,BiI3,-2.795532295,-0.73038525,0.0863726612,-0.1280884929,GGA,P2_1/m,AB3_mP8_11_e_ef:Bi-I,8.0,AB3_mP8_11_e_ef:Bi-I +mp-1106279,BiI3,-2.8617147656,-0.7965677206,0.0201901906,-0.1942709635,GGA,P2_1/c,AB3_mP16_14_e_3e:Bi-I,16.0,AB3_mP16_14_e_3e:Bi-I +mp-22849,BiI3,-2.8819049562,-0.8167579113000001,0.0,-0.2144611542,GGA,R-3,AB3_hR24_148_c_f:Bi-I,8.0,AB3_hR24_148_c_f:Bi-I +mp-1189196,BiI3,-2.8555303012,-0.7903832563000001,0.026374655,-0.1880864992,GGA,Pnma,AB3_oP16_62_c_cd:Bi-I,16.0,AB3_oP16_62_c_cd:Bi-I +mp-569157,BiI3,-2.881279955,-0.81613291,0.0006250012,-0.2138361529,GGA,P-31m,AB3_hP8_162_c_k:Bi-I,8.0,AB3_hP8_162_c_k:Bi-I +mp-1008490,BiI3,-2.2824854225,-0.2173383775,0.5994195337,0.3849583796,GGA,Fm-3m,AB3_cF16_225_a_bc:Bi-I,4.0,AB3_cF16_225_a_bc:Bi-I +mp-1214795,BiI5,-2.4160469904,-0.5481601771,0.0,-0.0036549029,GGA,P1,AB5_aP24_1_4a_20a:Bi-I,24.0,AB5_aP24_1_4a_20a:Bi-I +mp-568388,BiI,-3.1909479925,-0.5340202525000001,0.0140728756,0.0140728756,GGA,C2/m,AB_mC16_12_2i_2i:Bi-I,8.0,"Invalid WP multiplicities - AB_mC16_12_3i_2i:Bi-I, expected Bi3I2 to be BiI" +mp-27708,BiI,-3.1900079562,-0.5330802162,0.0150129118,0.0150129118,GGA,C2/m,AB_mC32_12_4i_4i:Bi-I,16.0,AB_mC32_12_4i_4i:Bi-I +mp-1214175,Bi7I2,-3.5492454111,-0.2347835656,0.0147931368,0.0147931368,GGA,P2_1/m,A7B2_mP18_11_7e_2e:Bi-I,18.0,A7B2_mP18_11_7e_2e:Bi-I +mp-950217,BiI4,-2.562742964,-0.6159520580000001,0.0396472127,0.0396472127,GGA,Imma,AB4_oI20_74_a_hi:Bi-I,10.0,"Invalid WP multiplicities - AB4_oI20_74_a_3h2i:Bi-I, expected BiI10 to be BiI4" +mp-645326,Al3Bi5I12,-3.1522043955,-0.7462259285,0.0151976997,0.0151976997,GGA,Pnma,A3B5C12_oP80_62_cd_3cd_2c5d:Al-Bi-I,80.0,"Invalid WP multiplicities - A3B5C12_oP80_62_4c3d_11c7d_8c35d:Al-Bi-I, expected Al10Bi25I78 to be Al3Bi5I12" +mp-28149,Bi9I2,-3.6162593014,-0.2061561314,0.0,-0.0081542135,GGA,P2_1/m,A9B2_mP22_11_9e_2e:Bi-I,22.0,A9B2_mP22_11_9e_2e:Bi-I +mp-1246075,ScAlN2,-8.365230564400001,-1.6774718681,0.1613491219,0.1613491219,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Al-N-Sc,16.0,AB2C_oP16_33_a_2a_a:Al-N-Sc +mp-1246066,ScAlN2,-8.3072373813,-1.619478685,0.219342305,0.219342305,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Al-N-Sc,8.0,AB2C_tI16_141_a_e_b:Al-N-Sc +mp-1029257,Zn2ReN3,-6.73910764,-0.0768577767,0.0,-0.01435535,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Re-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Re-Zn +mp-1247543,ZnReN2,-7.5042381438,0.0900770175,0.1812874367,0.1812874367,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Re-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Re-Zn +mp-979421,YErZn2,-3.7478593325,-0.3594400467,0.00107872,0.00107872,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Er-Y-Zn +mp-1246835,AlMoN3,-8.572850048,-0.6527079050000001,0.2037974017,0.2037974017,GGA,P-1,ABC3_aP20_2_2i_2i_6i:Al-Mo-N,20.0,ABC3_aP20_2_2i_2i_6i:Al-Mo-N +mp-1096702,Ti2VRe,-5.4968296500000005,3.8330246721,4.0804856003,4.0804856003,GGA,Immm,AB2C_oI8_71_a_e_b:Re-Ti-V,4.0,AB2C_oI8_71_a_e_b:Re-Ti-V +mp-865916,TiVRe2,-10.865777705,-0.3986645908,0.0,-0.06751349,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Re-Ti-V,4.0,A2BC_cF16_225_c_a_b:Re-Ti-V +mp-1097679,TiV2Re,-5.6560626725,3.9708951629,4.2277812089,4.2277812089,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Ti-V,4.0,ABC2_oI8_71_a_b_e:Re-Ti-V +mp-1210452,SCl4,-2.9444053293,-0.6382860279,0.0,-0.3311339273,GGA,P-43n,A4B_cP160_218_e5i_ei:Cl-S,160.0,A4B_cP160_218_e5i_ei:Cl-S +mp-28096,SCl,-3.46651406,-0.4740207966,0.0,-0.0750920291,GGA,Fdd2,AB_oF64_43_2b_2b:Cl-S,16.0,AB_oF64_43_2b_2b:Cl-S +mp-28128,SCl2,-3.1230945633,-0.5119201677,0.0533590907,0.0533590907,GGA,P2_12_12_1,A2B_oP24_19_4a_2a:Cl-S,24.0,A2B_oP24_19_4a_2a:Cl-S +mp-1186934,S3Cl,-3.4884923725,0.0759791927,0.3129895909,0.3129895909,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cl-S,8.0,AB3_hP8_194_c_h:Cl-S +mp-27616,ErSCl,-6.0725660333,-2.5549975877,0.0,-0.0540412285,GGA,Pmmn,ABC_oP6_59_a_b_a:Cl-Er-S,6.0,ABC_oP6_59_a_b_a:Cl-Er-S +mp-1245457,Cr5(GeN3)2,-8.4799302731,-0.2083716108,0.3569348551,0.3569348551,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Cr-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Cr-Ge-N +mp-1246388,Cr7GeN6,-8.9738288932,-0.2443053436,0.3591009843,0.3591009843,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Cr-Ge-N,56.0,A7BC6_oP56_60_c3d_c_3d:Cr-Ge-N +mp-1246695,CrGeN2,-7.8516822706,-0.1144159769,0.3397566022,0.3397566022,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cr-Ge-N,16.0,ABC2_oP16_33_a_a_2a:Cr-Ge-N +mp-637918,Cr3GeN,-8.700403593,-0.316670555,0.019643324,0.019643324,GGA,P-42_1m,A3BC_tP10_113_ae_c_b:Cr-Ge-N,10.0,"Invalid WP multiplicities - A3BC_tP10_113_2a2e_c_b:Cr-Ge-N, expected Cr6GeN to be Cr3GeN" +mp-1186110,NpAlO3,-9.598500292,-3.291815963,0.0427647981,0.0427647981,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Np-O,5.0,ABC3_cP5_221_b_a_c:Al-Np-O +mp-1200853,Er2HfS5,-7.1445262109,-2.1726667129,0.0235195001,0.0235195001,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Er-Hf-S,32.0,A2BC5_oP32_62_d_c_3cd:Er-Hf-S +mp-1189307,Nd(HoS2)3,-6.7174329165,-2.3840255921,0.0,-0.0159838911,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Ho-Nd-S,20.0,A3BC6_mP20_11_3e_e_6e:Ho-Nd-S +mp-1245336,CrInN2,-7.3458238623,-0.0763935998,0.3087993464,0.3087993464,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cr-In-N,64.0,ABC2_oP64_61_2c_2c_4c:Cr-In-N +mp-1246120,Cr(InN)3,-6.0030768464,0.1280065014,0.3706450921,0.3706450921,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cr-In-N,14.0,AB3C3_hP14_176_c_h_h:Cr-In-N +mp-23739,SiH4,-3.929982133,-0.130737691,0.0,-0.002191068,GGA,P2_1/c,A4B_mP20_14_4e_e:H-Si,20.0,A4B_mP20_14_4e_e:H-Si +mp-29310,Si2H6Se,-4.0962859874,-0.2404077865,0.0,-0.0038472215,GGA,P4_32_12,A6BC2_tP72_96_6b_b_2b:H-Se-Si,72.0,"Invalid WP multiplicities - A6BC2_tP72_96_9b_b_2b:H-Se-Si, expected Si2H9Se to be Si2H6Se" +mp-29803,SiH,-4.4629163975,-0.05389436,0.0278166969,0.0278166969,GGA,P-3m1,AB_hP4_164_d_d:H-Si,4.0,AB_hP4_164_d_d:H-Si +mp-995193,Si3H,-4.9263029712,-0.0091329375,0.0317225909,0.0317225909,GGA,P-3m1,AB3_hP8_164_d_3d:H-Si,8.0,AB3_hP8_164_d_3d:H-Si +mp-1040468,Si3H,-4.9138553225,0.0033147112,0.0441702397,0.0441702397,GGA,R-3m,AB3_hR24_166_c_3c:H-Si,8.0,AB3_hR24_166_c_3c:H-Si +mp-978497,Si3H,-4.3440716525,0.5730983813,0.6139539097000001,0.6139539097000001,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Si,4.0,AB3_cF16_225_a_bc:H-Si +mp-1192532,SiH2,-4.1389535997,-0.068696893,0.0402511828,0.0402511828,GGA,P2_1/m,A2B_mP30_11_2e4f_e2f:H-Si,30.0,A2B_mP30_11_2e4f_e2f:H-Si +mp-1188318,SiH8,-3.7516977839,-0.133128185,0.0097013961,-0.0604961344,GGA,Pmn2_1,A8B_oP18_31_6ab_a:H-Si,18.0,A8B_oP18_31_6ab_a:H-Si +mp-972825,SiH8,-3.76139918,-0.1428295811,0.0,-0.0701975306,GGA,I-4m2,A8B_tI18_119_efi_a:H-Si,9.0,A8B_tI18_119_efi_a:H-Si +mp-947,Au2S,-3.8010960283,-0.239691406,0.0,-0.2167423,GGA,Pn-3m,A2B_cP6_224_b_a:Au-S,6.0,A2B_cP6_224_b_a:Au-S +mp-984597,Au3S,-3.2650465938,0.224477373,0.4042459275,0.4042459275,GGA,P6_3/mmc,A3B_hP8_194_h_c:Au-S,8.0,A3B_hP8_194_h_c:Au-S +mp-669370,Ta5AuS,-9.9228106129,-0.3943506104,0.0,-0.0339099359,GGA,F-43m,ABC5_cF112_216_e_e_2efg:Au-S-Ta,28.0,"Invalid WP multiplicities - ABC5_cF112_216_e_e_8e5f5g:Au-S-Ta, expected Ta23AuS to be Ta5AuS" +mp-984598,AuS,-3.7395895925,-0.0344236591,0.1453448955,0.1453448955,GGA,P6_3mc,AB_hP4_186_b_b:Au-S,4.0,AB_hP4_186_b_b:Au-S +mp-1214753,AuS2,-3.345515635,0.5034116096,0.6232573126000001,0.6232573126000001,GGA,Pn-3m,AB2_cP6_224_a_b:Au-S,6.0,AB2_cP6_224_a_b:Au-S +mp-1196148,Sm2ZrS5,-7.0338358247,-2.2004455454,0.0,-0.0275314069,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-Sm-Zr,32.0,A5B2C_oP32_62_3cd_d_c:S-Sm-Zr +mp-10611,La3PbC,-5.978348818,-0.4284820425,0.0,-0.0756832428,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-La-Pb,5.0,AB3C_cP5_221_b_c_a:C-La-Pb +mp-1211573,La5Pb3C,-5.5152488828,-0.5100664131,0.0248646401,0.0248646401,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:C-La-Pb +mp-1226355,Cr2Rh2C,-8.764528088,-0.1118528535,0.0,-0.0097366702,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Cr-Rh,5.0,AB2C2_hR15_166_a_c_c:C-Cr-Rh +mp-1217220,Ti3V3Si5,-7.5294947455,-0.4326961627,0.215706602,0.215706602,GGA,Immm,A5B3C3_oI44_71_efgm_ek_hm:Si-Ti-V,22.0,A5B3C3_oI44_71_efgm_ek_hm:Si-Ti-V +mp-1189475,TiV4Si3,-8.0957295931,-0.5323457948,0.0801852002,0.0801852002,GGA,I4/mcm,A3BC4_tI32_140_ah_b_k:Si-Ti-V,16.0,A3BC4_tI32_140_ah_b_k:Si-Ti-V +mp-1217138,Ti3V2Si3,-7.9903461088,-0.7240658238000001,0.0,-0.0553165664,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Si-Ti-V,16.0,A3B3C2_hP16_193_g_g_d:Si-Ti-V +mp-1206213,Eu2Br2F,-6.676224832,-1.5699169865,1.130876357,1.130876357,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Eu-F,5.0,A2B2C_tP5_123_g_g_a:Br-Eu-F +mp-1246031,MgOsN2,-7.5307441069,-0.1555847744,0.2175489093,0.2175489093,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Os,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Os +mp-1245485,Mg2OsN3,-6.9831035692,-0.4102015183,0.0873100599,0.0873100599,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-Os,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-Os +mp-1247118,MgOsN,-6.9625947025,0.0921194325,0.5896310107,0.5896310107,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Mg-N-Os,12.0,ABC_mC24_12_2i_2i_2i:Mg-N-Os +mp-978507,SmTh3,-6.69707521,0.0429650112,0.0429650112,0.0429650112,GGA,Pm-3m,AB3_cP4_221_a_c:Sm-Th,4.0,AB3_cP4_221_a_c:Sm-Th +mp-752473,SmTh4O10,-9.7077397813,-4.1183460315,0.0203506378,0.0203506378,GGA,I4/m,A10BC4_tI30_87_di_a_h:O-Sm-Th,15.0,"Invalid WP multiplicities - A10BC4_tI30_87_d2i_a_h:O-Sm-Th, expected SmTh4O18 to be SmTh4O10" +mp-676629,Sm2Th8O19,-9.850124281,-4.2385682885,0.042842059,0.042842059,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Sm-Th,29.0,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Sm-Th, expected Sm2Th14O35 to be Sm2Th8O19" +mp-978939,Sm3Th,-5.3224668625,0.0699373013,0.0699373013,0.0699373013,GGA,I4/mmm,A3B_tI8_139_ad_b:Sm-Th,4.0,A3B_tI8_139_ad_b:Sm-Th +mp-675813,Sm2Th3O9,-9.5724250907,-4.1296432749,0.0583084779,0.0583084779,GGA,I-4m2,A9B2C3_tI28_119_c4f_e_ae:O-Sm-Th,14.0,"Invalid WP multiplicities - A9B2C3_tI28_119_c6f_e_a2e:O-Sm-Th, expected Sm2Th5O13 to be Sm2Th3O9" +mp-675749,Sm6Th4O17,-9.267009097,-4.0055032488,0.0820670505,0.0820670505,GGA,R3m,A17B6C4_hR81_160_17a_6a_4a:O-Sm-Th,27.0,A17B6C4_hR81_160_17a_6a_4a:O-Sm-Th +mp-1218996,SmTh,-6.03265436,0.0335678325,0.0335678325,0.0335678325,GGA,R-3m,AB_hR6_166_a_b:Sm-Th,2.0,AB_hR6_166_a_b:Sm-Th +mp-972664,SmTh,-5.99696481,0.0692573825,0.0692573825,0.0692573825,GGA,P-6m2,AB_hP2_187_a_d:Sm-Th,2.0,AB_hP2_187_a_d:Sm-Th +mp-1101415,Sm4Th3O12,-9.3130831095,-4.0248629082,0.0775004475,0.0775004475,GGA,R3m,A12B4C3_hR57_160_12a_4a_3a:O-Sm-Th,19.0,A12B4C3_hR57_160_12a_4a_3a:O-Sm-Th +mp-1183145,AcPdO3,-7.065943372,-2.2377187817,0.008102041,0.008102041,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ac-O-Pd,5.0,AB3C_cP5_221_a_c_b:Ac-O-Pd +mp-1078349,La2BiN,-6.8759996888,-1.3637501225,0.0,-0.0770213325,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Bi-La-N,8.0,AB2C_tP8_129_c_ac_c:Bi-La-N +mp-1246398,Cd3(InN2)2,-4.3197510361,0.3044730128,0.3395170906,0.3395170906,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Cd-In-N,18.0,A3B2C4_mC36_15_ef_f_2f:Cd-In-N +mp-1093852,YScPt2,-4.8716221625,1.3636795521,2.605527315,2.605527315,GGA,Immm,A2BC_oI8_71_e_a_b:Pt-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Pt-Sc-Y +mp-646609,U2InRh2,-8.404322474,-0.391698576,0.0,-0.0160587723,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Rh-U,10.0,AB2C2_tP10_127_a_g_h:In-Rh-U +mp-1091404,UInRh,-7.4336088833,-0.2978083467,0.039977881,0.039977881,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Rh-U,9.0,ABC_hP9_189_f_bc_g:In-Rh-U +mp-1095324,U2In8Rh,-4.8466903445,-0.1229996418,0.0,-0.0147380914,GGA,P4/mmm,A8BC2_tP11_123_ehi_a_g:In-Rh-U,11.0,A8BC2_tP11_123_ehi_a_g:In-Rh-U +mp-1179154,TlO,-4.568301405,-0.913635476,0.0939219658,0.0939219658,GGA,Aem2,AB_oC32_39_4c_4c:O-Tl,16.0,AB_oC32_39_4c_4c:O-Tl +mp-1207075,TlO,-4.09183032,-0.437164391,0.5703930508,0.5703930508,GGA,Pm-3m,AB_cP2_221_a_b:O-Tl,2.0,AB_cP2_221_a_b:O-Tl +mp-1216564,Tl2O3,-4.901669976,-0.9885994906,0.116132781,-0.2576911097,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Tl,5.0,A3B2_hP5_164_ad_d:O-Tl +mp-684956,Tl2O3,-4.884194102,-0.9711236166,0.133608655,-0.2402152357,GGA,R-3m,A3B2_hR30_166_3c_2c:O-Tl,10.0,"Invalid WP multiplicities - A3B2_hR30_166_6c_2c:O-Tl, expected TlO3 to be Tl2O3" +mp-1658,Tl2O3,-5.017802757,-1.1047322716,0.0,-0.3738238907,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Tl,40.0,A3B2_cI80_206_e_ad:O-Tl +mp-27684,Tl4O3,-4.408238095,-0.9381468492,0.0,-0.0161980064,GGA,P2_1/m,A3B4_mP14_11_3e_4e:O-Tl,14.0,A3B4_mP14_11_3e_4e:O-Tl +mp-862832,PaTlO3,-8.519211286,-3.1757364979,0.0,-0.3527050617,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pa-Tl,5.0,A3BC_cP5_221_c_b_a:O-Pa-Tl +mp-1188665,TlO2,-4.6572108189,-0.5718706292,0.3487395972,0.3487395972,GGA,Pnnm,A2B_oP18_58_3g_ag:O-Tl,18.0,A2B_oP18_58_3g_ag:O-Tl +mp-551470,Tl2O,-4.0415633083,-0.8175716401,0.0028308533,-0.0879018685,GGA,C2/m,AB2_mC12_12_i_2i:O-Tl,6.0,"Invalid WP multiplicities - AB2_hR18_166_c_4c:O-Tl, expected Tl4O to be Tl2O" +mp-27484,Tl2O,-4.0443941617,-0.8204024935,0.0,-0.0907327219,GGA,R-3m,AB2_hR18_166_c_2c:O-Tl,6.0,AB2_hR18_166_c_2c:O-Tl +mp-1185070,KCa3,-1.61412046,0.1676791868,0.1676791868,0.1676791868,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-K,4.0,A3B_tI8_139_ad_b:Ca-K +mp-1184984,KCa3,-1.60996128,0.1718383668,0.1718383668,0.1718383668,GGA,Pm-3m,A3B_cP4_221_c_a:Ca-K,4.0,A3B_cP4_221_c_a:Ca-K +mp-1185016,KCa3,-1.6068417875,0.1749578593,0.1749578593,0.1749578593,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-K,4.0,A3B_cF16_225_ac_b:Ca-K +mp-1184855,K3Ca,-1.1756333025,0.1585658777,0.1585658777,0.1585658777,GGA,Pm-3m,AB3_cP4_221_a_c:Ca-K,4.0,AB3_cP4_221_a_c:Ca-K +mp-1184877,K3Ca,-1.176193525,0.1580056552,0.1580056552,0.1580056552,GGA,Fm-3m,AB3_cF16_225_a_bc:Ca-K,4.0,AB3_cF16_225_a_bc:Ca-K +mp-1223602,K8CaTe6,-3.1921081167,-1.2088663289,0.0178098613,0.0178098613,GGA,I-42m,AB8C6_tI30_121_a_j_ci:Ca-K-Te,15.0,AB8C6_tI30_121_a_j_ci:Ca-K-Te +mp-1016298,Mg7V,-2.3781889375,0.157544365,0.1738210858,0.1738210858,GGA,P-6m2,A7B_hP8_187_ajk_d:Mg-V,8.0,A7B_hP8_187_ajk_d:Mg-V +mp-1078988,Mg7V,-2.35727101,0.1784622925,0.1947390133,0.1947390133,GGA,Fm-3m,A7B_cF32_225_ad_b:Mg-V,8.0,A7B_cF32_225_ad_b:Mg-V +mp-1016263,Mg3V,-3.161705745,0.30948081,0.3234322849,0.3234322849,GGA,Pmm2,A3B_oP4_25_abc_d:Mg-V,4.0,A3B_oP4_25_abc_d:Mg-V +mp-1185808,Mg3V,-3.1580107225,0.3131758325,0.3271273074,0.3271273074,GGA,P6_3/mmc,A3B_hP8_194_h_c:Mg-V,8.0,A3B_hP8_194_h_c:Mg-V +mp-1185800,Mg3V,-3.15413954,0.317047015,0.3309984899,0.3309984899,GGA,Fm-3m,A3B_cF16_225_ac_b:Mg-V,4.0,"Invalid WP multiplicities - A3B_cF16_225_a2c_b:Mg-V, expected Mg5V to be Mg3V" +mp-1078138,Mg6V,-2.4243249614,0.24504452,0.2609890628,0.2609890628,GGA,Fm-3m,A6B_cF28_225_d_a:Mg-V,7.0,A6B_cF28_225_d_a:Mg-V +mp-1185641,Mg149V,-1.6686488436,-0.0184779535,0.0,-0.0184779535,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-V,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l5m16n8o_d:Mg-V, expected Mg315V to be Mg149V" +mp-1023611,Mg15V,-1.9875264144,0.0804802619,0.0979196055,0.0979196055,GGA,P-6m2,A15B_hP16_187_ahjkn_b:Mg-V,16.0,"Invalid WP multiplicities - A15B_hP16_187_ah3j3kn_b:Mg-V, expected Mg27V to be Mg15V" +mp-1096133,MgVRu2,-4.4958918925,2.8123559075,2.9929463675,2.9890463302,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ru-V,4.0,AB2C_oI8_71_a_e_b:Mg-Ru-V +mp-1185620,MgVRu2,-7.48883826,-0.18059046,0.0,-0.0039000373,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ru-V,4.0,AB2C_cF16_225_a_c_b:Mg-Ru-V +mp-1245589,Mg2PbN2,-5.018848952,-0.301609548,0.2954043458,0.2954043458,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mg-N-Pb,5.0,A2B2C_hP5_164_d_d_a:Mg-N-Pb +mp-1247051,Mg(PbN)2,-5.226205262,-0.086492454,0.2120144929,0.2120144929,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Mg-N-Pb,5.0,AB2C2_hP5_164_a_d_d:Mg-N-Pb +mp-1246728,MgPbN2,-5.5785480819,-0.0820688394,0.2910648443,0.2910648443,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Pb,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Pb +mp-999295,PrN,-7.7510339925,-1.1923336525,0.2715458375,-0.6107041296,GGA,P4/nmm,AB_tP4_129_a_c:N-Pr,4.0,AB_tP4_129_a_c:N-Pr +mp-1009649,PrN,-7.66569761,-1.10699727,0.35688222,-0.5253677471,GGA,P-6m2,AB_hP2_187_a_d:N-Pr,2.0,AB_hP2_187_a_d:N-Pr +mp-1009639,PrN,-7.90365235,-1.34495201,0.11892748,-0.7633224871000001,GGA,F-43m,AB_cF8_216_a_c:N-Pr,2.0,AB_cF8_216_a_c:N-Pr +mp-1009640,PrN,-7.26253152,-0.70383118,0.7600483100000001,-0.1222016571,GGA,Pm-3m,AB_cP2_221_a_b:N-Pr,2.0,AB_cP2_221_a_b:N-Pr +mp-343,PrN,-8.02257983,-1.46387949,0.0,-0.8822499671,GGA,Fm-3m,AB_cF8_225_a_b:N-Pr,2.0,AB_cF8_225_a_b:N-Pr +mp-1205481,Pr3(TaN3)2,-9.5349402718,-1.527918265,0.0,-0.1435389683,GGA,I4/mmm,A6B3C2_tI22_139_eg_ae_e:N-Pr-Ta,11.0,A6B3C2_tI22_139_eg_ae_e:N-Pr-Ta +mp-1219988,PrN2,-7.9268045656,-0.7755060306,0.2004136294,0.2004136294,GGA,Cm,A2B_mC18_8_6a_3a:N-Pr,9.0,A2B_mC18_8_6a_3a:N-Pr +mp-1207099,Ho(PPd)2,-6.070181424,-0.9164259233,0.0265641343,0.0265641343,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ho-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Ho-P-Pd +mp-1212072,HoPPd,-6.3305085567,-1.2719774944,0.0,-0.0511532722,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-P-Pd,12.0,ABC_oP12_62_c_c_c:Ho-P-Pd +mp-1212386,Ho3(P3Pd10)2,-5.8990740617,-0.73270586,0.0,-0.0445499312,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Ho-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Ho-P-Pd +mp-1195243,AgP15,-5.2386040125,0.0134018377,0.0207560835,0.0207560835,GGA,P-1,AB15_aP32_2_i_15i:Ag-P,32.0,AB15_aP32_2_i_15i:Ag-P +mp-985295,Ag3P,-3.2656537325,0.2120888967,0.2201117102,0.2201117102,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-P,4.0,A3B_tI8_139_ad_b:Ag-P +mp-27821,Ag3P11,-4.8854999557,-0.0252145569,0.0,-0.0212632139,GGA,Cm,A3B11_mC28_8_3a_3a4b:Ag-P,14.0,A3B11_mC28_8_3a_3a4b:Ag-P +mp-10667,SrAgP,-4.0642116467,-0.7524276589000001,0.0,-0.0544033994,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-P-Sr,6.0,ABC_hP6_194_c_d_a:Ag-P-Sr +mp-8200,AgP2,-4.5592002058,-0.0061465336,0.0152476359,0.0152476359,GGA,P2_1/c,AB2_mP12_14_e_2e:Ag-P,12.0,AB2_mP12_14_e_2e:Ag-P +mp-37167,U12Rh4Se31,-7.1537412453,-1.338264492,0.0,-0.0582057696,GGA,I4/mmm,A4B31C12_tI94_139_f_adimo_hn:Rh-Se-U,47.0,"Invalid WP multiplicities - A4B31C12_tI94_139_f_a2d3i8m10o_4h5n:Rh-Se-U, expected U56Rh4Se241 to be U12Rh4Se31" +mp-1184483,In3B,-2.83298834,0.9006224002000001,0.9006224002000001,0.9006224002000001,GGA,Pm-3m,AB3_cP4_221_a_c:B-In,4.0,AB3_cP4_221_a_c:B-In +mp-1184492,In3B,-2.8227106625,0.9109000777,0.9109000777,0.9109000777,GGA,Fm-3m,AB3_cF16_225_a_bc:B-In,4.0,AB3_cF16_225_a_bc:B-In +mp-631547,In2ReB,-4.681246095,1.475575509,1.6446095745,1.6446095745,GGA,Fm-3m,AB2C_cF16_225_a_c_b:B-In-Re,4.0,AB2C_cF16_225_a_c_b:B-In-Re +mp-28614,NaBPt3,-5.681334686,-0.4382712811,0.0,-0.0672512366,GGA,P6/mmm,ABC3_hP10_191_c_ab_i:B-Na-Pt,10.0,ABC3_hP10_191_c_ab_i:B-Na-Pt +mp-505055,Na3B5Pt9,-5.8286326432,-0.4165894306,0.0,-0.0298794767,GGA,Cmcm,A5B3C9_oC68_63_c2f_cf_afgh:B-Na-Pt,34.0,A5B3C9_oC68_63_c2f_cf_afgh:B-Na-Pt +mp-262,Na3B20,-6.0410644078,-0.0603943514,0.0,-0.0139626437,GGA,Cmmm,A20B3_oC46_65_gko3p_ch:B-Na,23.0,"Invalid WP multiplicities - A20B3_oC46_65_gko4p_ch:B-Na, expected NaB8 to be Na3B20" +mp-2315,NaB15,-6.3946468009,-0.0500591849,0.0,-0.0211202249,GGA,Imma,A15B_oI64_74_e3h2j_e:B-Na,32.0,A15B_oI64_74_e3h2j_e:B-Na +mp-29953,Na2B29,-6.3289812816,0.0048062004,0.0551721064,0.0551721064,GGA,Imm2,A29B2_oI62_44_a6c4e_ab:B-Na,31.0,"Invalid WP multiplicities - A29B2_oI62_44_a7c6e_ab:B-Na, expected Na2B39 to be Na2B29" +mp-1186025,Na3B,-1.8193918975,0.8423500153,0.8597133913,0.8597133913,GGA,I4/mmm,AB3_tI8_139_a_bd:B-Na,4.0,AB3_tI8_139_a_bd:B-Na +mp-1186020,Na3B,-1.82170301,0.8400389028,0.8574022788000001,0.8574022788000001,GGA,Fm-3m,AB3_cF16_225_a_bc:B-Na,4.0,AB3_cF16_225_a_bc:B-Na +mp-1056860,NaB,-2.143394895,1.8575636371,1.8922903892,1.8922903892,GGA,Fm-3m,AB_cF8_225_a_b:B-Na,2.0,AB_cF8_225_a_b:B-Na +mp-20341,U(MnGe)2,-7.989781046,-0.2174817852,0.0,-0.0284873449,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-U +mp-1190663,LuCrB4,-7.5159050442,-0.7006441986,0.0,-0.119031769,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Lu,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Lu +mp-1186335,NdYMg2,-3.720393735,-0.1115990735,0.0,-0.0017670175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Nd-Y +mp-1097362,Y2AlCd,-2.19914092,2.2012110342,2.5905908802,2.5905908802,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cd-Y,4.0,ABC2_oI8_71_a_b_e:Al-Cd-Y +mp-1187707,Y2AlCd,-4.7866310275,-0.3862790733,0.0031007727,0.0031007727,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Y,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Y +mp-1186801,PuSbO3,-8.76589625,-2.1185151093,0.6560198417,0.6560198417,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pu-Sb,5.0,A3BC_cP5_221_c_b_a:O-Pu-Sb +mp-1102011,Ti2H3Pd,-5.6103736417,-0.4188663119,0.1912615417,0.1912615417,GGA,P4/mmm,A3BC2_tP12_123_gi_ad_gh:H-Pd-Ti,12.0,A3BC2_tP12_123_gi_ad_gh:H-Pd-Ti +mp-980193,Ti2H4Pd,-5.3012207257,-0.366682151,0.1877688483,0.1877688483,GGA,I4/mmm,A4BC2_tI14_139_de_a_e:H-Pd-Ti,7.0,A4BC2_tI14_139_de_a_e:H-Pd-Ti +mp-1070391,Ti2H2Pd,-6.031147622,-0.4798840353,0.100678783,0.100678783,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:H-Pd-Ti,5.0,A2BC2_tI10_139_e_a_e:H-Pd-Ti +mp-1080554,Ti4H3Pd2,-6.1516980167,-0.3605969254,0.1983193775,0.1983193775,GGA,P4/mmm,A3B2C4_tP9_123_ag_bc_gh:H-Pd-Ti,9.0,A3B2C4_tP9_123_ag_bc_gh:H-Pd-Ti +mp-1079768,Ti2HPd,-6.5501350463,-0.4592370742,0.0726210844,0.0726210844,GGA,P4/mmm,ABC2_tP8_123_g_ad_gh:H-Pd-Ti,8.0,ABC2_tP8_123_g_ad_gh:H-Pd-Ti +mp-27849,TiBrN,-7.6342475017,-1.7059090778,0.0,-0.0382805645,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-N-Ti,6.0,ABC_oP6_59_a_a_b:Br-N-Ti +mp-1189603,HoPd3S4,-5.712587545,-1.1291058241,0.0,-0.0055588298,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:Ho-Pd-S,16.0,AB3C4_cP16_223_a_c_e:Ho-Pd-S +mp-1207901,U4Si3Mo,-9.3225386206,-0.2866330906,0.028094513,0.028094513,GGA,I4/mcm,AB3C4_tI32_140_b_ah_k:Mo-Si-U,16.0,AB3C4_tI32_140_b_ah_k:Mo-Si-U +mp-9236,U2Si4Mo3,-8.9385460556,-0.40287467,0.0,-0.0273475682,GGA,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Mo-Si-U,18.0,"Invalid WP multiplicities - A3B4C2_mP18_14_a2e_2e_e:Mo-Si-U, expected U2Si4Mo5 to be U2Si4Mo3" +mp-1226107,CoSiW,-8.7814202925,-0.2841649408,0.102764805,0.102764805,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Co-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Co-Si-W, expected Co2Si2W3 to be CoSiW" +mp-31015,Ta3SBr7,-5.97063718,-1.3723661739,0.0048490363,0.0048490363,GGA,Cm,A7BC3_mC22_8_3a2b_a_ab:Br-S-Ta,11.0,A7BC3_mC22_8_3a2b_a_ab:Br-S-Ta +mp-559724,Ta4S9Br8,-5.8991395857,-1.2761212066,0.0,-0.0717252333,GGA,I4mm,A8B9C4_tI42_107_2d_a2c_d:Br-S-Ta,21.0,"Invalid WP multiplicities - A8B9C4_tI42_107_6d_a5c_d:Br-S-Ta, expected Ta4(S7Br8)3 to be Ta4S9Br8" +mp-20499,Sc2FeS4,-7.0682195179,-1.6852539625,0.1131792754,0.1131792754,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Fe-S-Sc,14.0,AB4C2_cF56_227_a_e_d:Fe-S-Sc +mp-685224,Sc22Fe7S40,-7.0217120493,-1.745444463,0.1736285759,0.1736285759,GGA,P1,A7B40C22_aP69_1_7a_40a_22a:Fe-S-Sc,69.0,A7B40C22_aP69_1_7a_40a_22a:Fe-S-Sc +mp-18021,Ge3Mo5C,-8.6699144467,-0.0781367125,0.0658148061,0.0658148061,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Mo,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Mo +mp-21505,YAgPb,-4.7446235411,-0.4073988122,0.0,-0.0415215104,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Pb-Y,9.0,ABC_hP9_189_f_bc_g:Ag-Pb-Y +mp-1093543,YAg2Pb,-2.278349705,1.6827078425000002,1.9882569517,1.9882569517,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Pb-Y,4.0,A2BC_oI8_71_e_a_b:Ag-Pb-Y +mp-1096653,Y2AgPb,-3.030924625,1.8386117,2.3258938023,2.3258938023,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Pb-Y +mp-1186354,Os3F,-8.5442659275,0.3541293869,0.9675753723,0.9675753723,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Os,4.0,AB3_cF16_225_a_bc:F-Os +mp-540830,OsF5,-5.508946996,-2.0448199515,0.0,-0.0270663785,GGA,P2_1/c,A5B_mP48_14_10e_2e:F-Os,48.0,A5B_mP48_14_10e_2e:F-Os +mp-1079181,LiOsF6,-5.51785732,-2.4422118073,0.0,-0.1171106942,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Os,8.0,A6BC_hR24_148_f_a_b:F-Li-Os +mp-1185348,LiF3,-3.3439319013,-1.433091959,0.14988034,0.14988034,GGA,P6_3/mmc,A3B_hP8_194_h_c:F-Li,8.0,A3B_hP8_194_h_c:F-Li +mp-1185301,LiF,-5.0694796375,-3.1592787204,0.0066658775,-2.2038840811,GGA,P6_3mc,AB_hP4_186_b_b:F-Li,4.0,AB_hP4_186_b_b:F-Li +mp-1009009,LiF,-4.7886034550000005,-2.8784025379,0.28754206,-1.9230078986,GGA,Pm-3m,AB_cP2_221_a_b:F-Li,2.0,AB_cP2_221_a_b:F-Li +mp-1138,LiF,-5.076145515,-3.1659445979,0.0,-2.2105499586,GGA,Fm-3m,AB_cF8_225_a_b:F-Li,2.0,AB_cF8_225_a_b:F-Li +mp-22626,OsF6,-5.3177238514,-2.075403675,0.0,-0.3227008595,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Os,28.0,"Invalid WP multiplicities - A6B_oP28_62_2c3d_c:F-Os, expected OsF8 to be OsF6" +mp-21087,UAs,-8.566716785,-0.5914525775,0.1300241,0.0778733738,GGA,Pm-3m,AB_cP2_221_a_b:As-U,2.0,AB_cP2_221_a_b:As-U +mp-2104,UAs,-8.696740885,-0.7214766775,0.0,-0.0521507262,GGA,Fm-3m,AB_cF8_225_a_b:As-U,2.0,AB_cF8_225_a_b:As-U +mp-1207355,U2As3,-4.22424557,3.087789477,3.820978478,3.820978478,GGA,P4/mmm,A3B2_tP5_123_ag_g:As-U,5.0,A3B2_tP5_123_ag_g:As-U +mp-505683,U4As6Ru7,-8.6899206559,-0.5698519353,0.0,-0.0925574922,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:As-Ru-U,17.0,A6B7C4_cI34_229_e_ad_c:As-Ru-U +mp-1102116,UAs2,-7.45791733,-0.5880350567,0.0710590767,0.0069213444,GGA,Pnma,A2B_oP12_62_2c_c:As-U,12.0,A2B_oP12_62_2c_c:As-U +mp-1657,UAs2,-7.5289764067,-0.6590941333,0.0,-0.0641377322,GGA,P4/nmm,A2B_tP6_129_ac_c:As-U,6.0,A2B_tP6_129_ac_c:As-U +mp-606,U3As4,-8.2664730371,-0.7649439443,0.0,-0.0702026429,GGA,I-43d,A4B3_cI28_220_c_a:As-U,14.0,A4B3_cI28_220_c_a:As-U +mp-1245830,Os3Pb3N5,-7.4521792014,0.4116860827,0.4116860827,0.4116860827,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Os-Pb,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Os-Pb +mp-1246200,Os2Pb3N4,-7.0255409694,0.4120874494,0.4120874494,0.4120874494,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Os-Pb,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Os-Pb +mp-1097092,Y2AgRh,-4.023276555,1.75917497,2.3501034425,2.3501034425,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Rh-Y +mp-637378,Gd3InN,-11.68776736,-1.024458285,0.0,-0.101081854,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Gd-In-N,5.0,A3BC_cP5_221_c_a_b:Gd-In-N +mp-1246932,Ba7HfN6,-6.0327768302,-0.7892780330000001,0.0534046335,0.0534046335,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ba-Hf-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ba-Hf-N +mp-10322,BaHfN2,-8.6593040538,-1.5220155988,0.0,-0.1650885696,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ba-Hf-N,8.0,ABC2_tP8_129_c_c_ac:Ba-Hf-N +mp-1246779,Ba5Hf2N6,-7.1980778958,-1.0805223335,0.0756986095,0.0756986095,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ba-Hf-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ba-Hf-N +mp-1186671,PmY3,-6.01467347,0.0228154456,0.0228154456,0.0228154456,GGA,I4/mmm,AB3_tI8_139_a_bd:Pm-Y,4.0,AB3_tI8_139_a_bd:Pm-Y +mp-1186676,PmY3,-6.0247972087,0.0126917069,0.0126917069,0.0126917069,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-Y,8.0,AB3_hP8_194_c_h:Pm-Y +mp-982448,Pm3Y,-5.164735675,0.0147888452,0.0147888452,0.0147888452,GGA,I4/mmm,A3B_tI8_139_ad_b:Pm-Y,4.0,A3B_tI8_139_ad_b:Pm-Y +mp-1186543,Pm3Y,-5.15684739,0.0226771302,0.0226771302,0.0226771302,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pm-Y,8.0,A3B_hP8_194_h_c:Pm-Y +mp-982880,Pm3Y,-5.1718858,0.0076387202,0.0076387202,0.0076387202,GGA,Pm-3m,A3B_cP4_221_c_a:Pm-Y,4.0,A3B_cP4_221_c_a:Pm-Y +mp-1186677,PmYRh2,-7.2440552775,-0.7576479835000001,0.0,-0.2089290656,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pm-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Pm-Rh-Y +mp-984695,PmY,-5.587598285,0.0209084329,0.0209084329,0.0209084329,GGA,P-6m2,AB_hP2_187_a_d:Pm-Y,2.0,AB_hP2_187_a_d:Pm-Y +mp-1186395,PaHgO3,-7.739027202,-2.8073449702,0.0,-0.1318607245,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Pa,5.0,AB3C_cP5_221_a_c_b:Hg-O-Pa +mp-1208665,SrO4,-4.736344928,-0.4410952683,0.8826880565,0.8826880565,GGA,P4/mmm,A4B_tP5_123_2g_a:O-Sr,5.0,A4B_tP5_123_2g_a:O-Sr +mp-1206311,SrO3,-5.4273015488,-1.294911652,0.3598175041,0.3598175041,GGA,Pmc2_1,A3B_oP8_26_a2b_a:O-Sr,8.0,A3B_oP8_26_a2b_a:O-Sr +mp-754282,SrO,-6.3056870825,-2.9875960002,0.0901309925,-1.3328668442,GGA,P6_3/mmc,AB_hP4_194_a_c:O-Sr,4.0,AB_hP4_194_a_c:O-Sr +mp-754824,SrO,-6.3449248475,-3.0268337652,0.0508932275,-1.3721046092,GGA,P6_3/mmc,AB_hP4_194_c_d:O-Sr,4.0,AB_hP4_194_c_d:O-Sr +mp-1009819,SrO,-5.980439205,-2.6623481227,0.41537887,-1.0076189667,GGA,Pm-3m,AB_cP2_221_a_b:O-Sr,2.0,AB_cP2_221_a_b:O-Sr +mp-2472,SrO,-6.395818075,-3.0777269927,0.0,-1.4229978367,GGA,Fm-3m,AB_cF8_225_a_b:O-Sr,2.0,AB_cF8_225_a_b:O-Sr +mp-1179197,SrO10,-5.1526510782,-0.5020710267,0.0996486664,0.0996486664,GGA,P4/mmm,A10B_tP11_123_hr_a:O-Sr,11.0,A10B_tP11_123_hr_a:O-Sr +mp-1208655,SrO10,-4.5602030018,0.0903770496,0.6920967427,0.6920967427,GGA,P4/mmm,A10B_tP11_123_er_b:O-Sr,11.0,A10B_tP11_123_er_b:O-Sr +mp-1179224,SrO10,-5.1902037309,-0.5396236795,0.0620960136,0.0620960136,GGA,P4/mcc,A10B_tP22_124_hn_a:O-Sr,22.0,A10B_tP22_124_hn_a:O-Sr +mp-1179236,SrO10,-5.1878262118,-0.5372461604000001,0.0644735327,0.0644735327,GGA,P4/mcc,A10B_tP22_124_hn_b:O-Sr,22.0,A10B_tP22_124_hn_b:O-Sr +mp-1179215,SrO10,-4.7828572727,-0.1322772213,0.4694424718,0.4694424718,GGA,P4/ncc,A10B_tP44_130_2c2g_a:O-Sr,44.0,A10B_tP44_130_2c2g_a:O-Sr +mp-1201811,SrO10,-4.7792553102,-0.1286752588,0.4730444343,0.4730444343,GGA,P4/ncc,A10B_tP44_130_2c2g_a:O-Sr,44.0,A10B_tP44_130_2c2g_a:O-Sr +mp-1207172,SrPuO3,-9.490294574,-3.3308149906,0.090643798,0.090643798,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pu-Sr,5.0,A3BC_cP5_221_c_b_a:O-Pu-Sr +mp-8146,SrPuO4,-9.1763605417,-3.2190127703,0.0,-0.29055334,GGA,R-3m,A4BC_hR18_166_2c_a_b:O-Pu-Sr,6.0,A4BC_hR18_166_2c_a_b:O-Pu-Sr +mp-1187089,Sr2O3,-5.59363168,-1.9498210719,0.60505305,0.60505305,GGA,Pm-3m,A3B2_cP5_221_c_ab:O-Sr,5.0,A3B2_cP5_221_c_ab:O-Sr +mp-726705,SrO2,-6.0576601392,-2.1967031806,0.0096023608,-0.1448851854,GGA,Pnma,A2B_oP12_62_2c_c:O-Sr,12.0,A2B_oP12_62_2c_c:O-Sr +mp-2697,SrO2,-6.0672625,-2.2063055414,0.0,-0.1544875463,GGA,I4/mmm,A2B_tI6_139_e_a:O-Sr,3.0,A2B_tI6_139_e_a:O-Sr +mp-1179128,SrO6,-5.3379154443,-0.8565403413,0.0890191764,0.0890191764,GGA,C2/c,A6B_mC28_15_3f_e:O-Sr,14.0,A6B_mC28_15_3f_e:O-Sr +mp-1179143,SrO6,-5.3506315421,-0.8692564392000001,0.0763030786,0.0763030786,GGA,C2/c,A6B_mC28_15_3f_e:O-Sr,14.0,A6B_mC28_15_3f_e:O-Sr +mp-1216451,V6GaSn,-7.7929926437,-0.1003546066,0.019251375,0.019251375,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ga-Sn-V,8.0,ABC6_cP8_200_a_b_f:Ga-Sn-V +mp-1216496,V9Ga2Sn,-7.7789048479,-0.1271616371,0.0106096425,0.0106096425,GGA,Pmmm,A2BC9_oP24_47_ahi_l_3jorxy:Ga-Sn-V,24.0,"Invalid WP multiplicities - A2BC9_oP24_47_ah2i_l_6j2o2r4x2y:Ga-Sn-V, expected V22Ga3Sn to be V9Ga2Sn" +mp-640159,V2GaSn2,-5.9679118055,-0.124901431,0.0,-0.0048471111,GGA,Cmce,AB2C2_oC40_64_e_2f_ef:Ga-Sn-V,20.0,"Invalid WP multiplicities - AB2C2_oC40_64_e_4f_2e2f:Ga-Sn-V, expected V4GaSn4 to be V2GaSn2" +mp-1184875,K3Ir,-2.319491465,0.7229162903,0.7229162903,0.7229162903,GGA,I4/mmm,AB3_tI8_139_a_bd:Ir-K,4.0,AB3_tI8_139_a_bd:Ir-K +mp-975821,K3Ir,-2.3031249712,0.739282784,0.739282784,0.739282784,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ir-K,8.0,AB3_hP8_194_c_h:Ir-K +mp-1206406,K(AsIr)2,-6.07868968,-0.4575888566,0.0,-0.1264415782,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ir-K,5.0,A2B2C_tI10_139_e_d_a:As-Ir-K +mp-1201765,ErFe2H3,-5.5622394392,-0.281249545,0.2087697508,0.2087697508,GGA,R-3m,AB2C3_hR144_166_ch_bdfh_2hi:Er-Fe-H,48.0,AB2C3_hR144_166_ch_bdfh_2hi:Er-Fe-H +mp-1213007,Er2Fe17H3,-7.5125873698,-0.089679355,0.0841490187,0.0841490187,GGA,P6_3/mmc,A2B17C3_hP44_194_bc_fgjk_h:Er-Fe-H,44.0,A2B17C3_hP44_194_bc_fgjk_h:Er-Fe-H +mp-1018686,ErH2,-4.3870810317,-0.6026907317,0.2028854617,0.0506683294,GGA,P6_3/mmc,AB2_hP6_194_c_f:Er-H,6.0,AB2_hP6_194_c_f:Er-H +mp-24192,ErH2,-4.5899664933,-0.8055761933000001,0.0,-0.1522171322,GGA,Fm-3m,AB2_cF12_225_a_c:Er-H,3.0,AB2_cF12_225_a_c:Er-H +mp-1190750,ErH3,-4.42150318,-0.7350289438000001,0.0,-0.1308467987,GGA,P-3c1,AB3_hP24_165_f_adg:Er-H,24.0,AB3_hP24_165_f_adg:Er-H +mp-1079370,ErH3,-4.226119775,-0.5396455388,0.195383405,0.0645366063,GGA,P6_3/mmc,AB3_hP8_194_c_af:Er-H,8.0,AB3_hP8_194_c_af:Er-H +mp-1018063,ErH3,-4.3442296,-0.6577553637,0.07727358,-0.0535732187,GGA,Fm-3m,AB3_cF16_225_a_bc:Er-H,4.0,AB3_cF16_225_a_bc:Er-H +mp-1007906,ErH,-4.41576195,-0.4355395225,0.1686426225,0.1686426225,GGA,P6_3/mmc,AB_hP4_194_c_a:Er-H,4.0,AB_hP4_194_c_a:Er-H +mp-1002221,ErH,-4.3938506,-0.4136281725,0.1905539725,0.1905539725,GGA,Fm-3m,AB_cF8_225_a_b:Er-H,2.0,AB_cF8_225_a_b:Er-H +mp-1209966,Nd3(P3Pd10)2,-5.8870642845,-0.7014817487,0.0,-0.0430430977,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Nd-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Nd-P-Pd +mp-1206126,Nd(PPd)2,-6.152818856,-0.9619156428,0.0,-0.0371650247,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Nd-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Nd-P-Pd +mp-3570,NdPPd,-6.362022345,-1.2415784286,0.0,-0.0884257261,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Nd-P-Pd,6.0,ABC_hP6_194_a_c_d:Nd-P-Pd +mp-636773,Ce3(AlI)2,-4.8412016043,-0.8073227721,0.047194316,0.047194316,GGA,C2/m,A2B3C2_mC28_12_2i_3i_2i:Al-Ce-I,14.0,"Invalid WP multiplicities - A2B3C2_mC28_12_2i_5i_4i:Al-Ce-I, expected Ce5(AlI2)2 to be Ce3(AlI)2" +mp-9958,Ti2GeC,-8.2196001787,-0.8089308335000001,0.0,-0.0240866399,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ge-Ti,8.0,ABC2_hP8_194_a_c_f:C-Ge-Ti +mp-1095505,Ti3GeC2,-8.6345606625,-0.8400881808,0.0,-0.03111375,GGA,P6_3/mmc,A2BC3_hP12_194_f_b_af:C-Ge-Ti,12.0,A2BC3_hP12_194_f_b_af:C-Ge-Ti +mp-1219732,Pt4SeS3,-5.638887855,-0.6151635602000001,0.0185336636,0.0185336636,GGA,P-4m2,A4B3C_tP8_115_2g_ae_d:Pt-S-Se,8.0,"Invalid WP multiplicities - A4B3C_tP8_115_3g_ae_d:Pt-S-Se, expected Pt6SeS3 to be Pt4SeS3" +mp-1219720,PtSeS,-5.2403292667,-0.6724977118000001,0.020833975,0.020833975,GGA,P3m1,ABC_hP3_156_a_b_c:Pt-S-Se,3.0,ABC_hP3_156_a_b_c:Pt-S-Se +mp-1246255,Ba3Cr3N5,-7.681670435,-0.7363484482,0.1733549592,0.1733549592,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Cr-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Cr-N +mp-1246467,Ba(CrN)2,-8.019122806,-0.43951086,0.3490277705,0.3490277705,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Cr-N,5.0,AB2C2_hP5_164_a_d_d:Ba-Cr-N +mp-1029568,Ba(CrN2)2,-8.5549559144,-0.7590916887,0.0273667227,0.0273667227,GGA,Pa-3,AB2C4_cP84_205_ac_d_2d:Ba-Cr-N,84.0,AB2C4_cP84_205_ac_d_2d:Ba-Cr-N +mp-29082,Ba5CrN5,-6.4241512909,-0.8850243095,0.0,-0.0740456335,GGA,C2/m,A5BC5_mC44_12_3ij_g_i2j:Ba-Cr-N,22.0,A5BC5_mC44_12_3ij_g_i2j:Ba-Cr-N +mp-1246729,Ba2CrN2,-6.606299474,-0.573502034,0.2750384367,0.2750384367,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Cr-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Cr-N +mp-1029770,BaCrN2,-8.0469263531,-0.9856732881,0.0,-0.0736706531,GGA,Cmce,ABC2_oC32_64_f_f_ef:Ba-Cr-N,16.0,ABC2_oC32_64_f_f_ef:Ba-Cr-N +mp-1029843,Ba2CrN3,-7.402238295,-0.9854912742,0.0,-0.0600007288,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ba-Cr-N,24.0,A2BC3_oC48_64_2f_f_e2f:Ba-Cr-N +mp-1246180,Ba3(CrN2)2,-7.1593589806,-0.6694701517,0.2400182379,0.2400182379,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Cr-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Cr-N +mp-1246167,Ba3(CrN2)2,-7.2798286536,-0.7899398247,0.1195485648,0.1195485648,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Cr-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Cr-N +mp-12905,Ba3CrN3,-6.6833586564,-0.9091505043,0.0,-0.0644436979,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Cr-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Cr-N +mp-1220511,Nb5Si6W5,-9.6548194569,-0.4142516738,0.0093566516,0.0093566516,GGA,Cm,A5B6C5_mC32_8_5a_4ab_3ab:Nb-Si-W,,A5B6C5_mC32_8_5a_4ab_3ab:Nb-Si-W +mp-1220697,Nb2AlB6,-7.5848685233,-0.4710311306,0.0092436448,0.0092436448,GGA,P6/mmm,AB6C2_hP9_191_a_dh_e:Al-B-Nb,9.0,"Invalid WP multiplicities - AB6C2_hP9_191_a_2d3h_e:Al-B-Nb, expected Nb2AlB16 to be Nb2AlB6" +mp-666176,ReS2,-6.4371239017,0.4686850713,1.3726953833,0.4686850713,GGA,P-1,AB2_aP12_2_2i_4i:Re-S,24.0,"Invalid WP multiplicities - AB2_aP12_2_4i_9i:Re-S, expected Re4S9 to be ReS2" +mp-572758,ReS2,-7.809819285,-0.9040103121,0.0,-0.9040103121,GGA,P-1,AB2_aP12_2_2i_4i:Re-S,12.0,"Invalid WP multiplicities - AB2_aP12_2_2i_7i:Re-S, expected Re2S7 to be ReS2" +mp-1232344,ReS2,-7.1881524067,-0.2823434338,0.6216668783,-0.2823434338,GGA,P3m1,AB2_hP3_156_a_ab:Re-S,3.0,AB2_hP3_156_a_ab:Re-S +mp-679944,Li4Re6S11,-7.0824564756,-0.9965610893,0.0237363855,0.0142367504,GGA,Pccn,A4B6C11_oP84_56_2e_3e_c5e:Li-Re-S,84.0,"Invalid WP multiplicities - A4B6C11_oP84_56_7e_14e_4c28e:Li-Re-S, expected Li7(Re7S15)2 to be Li4Re6S11" +mp-1181012,Li4Re6S11,-7.1061928611,-1.0202974748,0.0,-0.0094996351,GGA,Pccn,A4B6C11_oP84_56_2e_3e_c5e:Li-Re-S,84.0,A4B6C11_oP84_56_2e_3e_c5e:Li-Re-S +mp-34185,Ca(PrS2)2,-6.3725341243,-2.3563611446,0.0119889507,0.0119889507,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Pr-S +mp-1103989,Nd(Mo3S4)2,-8.0422634473,-1.1800203122,0.0,-0.0054883804,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Nd-S,15.0,A6BC8_hR45_148_f_a_cf:Mo-Nd-S +mp-1217604,TbEu4S5,-9.003049177,-2.3685869136,0.009021705,0.009021705,GGA,I4/mmm,A4B5C_tI20_139_2e_a2e_b:Eu-S-Tb,10.0,"Invalid WP multiplicities - A4B5C_tI20_139_3e_a3e_b:Eu-S-Tb, expected TbEu6S7 to be TbEu4S5" +mp-1173110,Tb2EuS4,-7.5253790521,-2.3723028425,0.0126237168,0.0126237168,GGA,I-42d,AB4C2_tI28_122_a_e_d:Eu-S-Tb,14.0,AB4C2_tI28_122_a_e_d:Eu-S-Tb +mp-16267,Dy2CdS4,-5.7622126357,-1.9504607918,0.0,-0.0049897764,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Dy-S,14.0,AB2C4_cF56_227_a_d_e:Cd-Dy-S +mp-1225330,Dy4CdS7,-6.1046337408,-2.0792015585,0.0461186867,0.0461186867,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cd-Dy-S,12.0,AB4C7_mC24_8_a_4a_7a:Cd-Dy-S +mp-20430,Er3PbC,-3.673881772,1.6550120265,2.0828038857,2.0828038857,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Er-Pb,5.0,AB3C_cP5_221_a_c_b:C-Er-Pb +mp-1213574,DyBi2C,-4.6192298912,0.7598777569,1.1971800919,1.1971800919,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Dy,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Dy +mp-20750,Tb3SnC,-3.979349696,1.4489174335,1.9633422661,1.9633422661,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Sn-Tb,5.0,ABC3_cP5_221_a_b_c:C-Sn-Tb +mp-1217073,Ti3S2,-7.533825868,-1.1419507113,0.2988720625,0.2988720625,GGA,R32,A2B3_hR15_155_c_d:S-Ti,5.0,A2B3_hR15_155_c_d:S-Ti +mp-1217163,Ti5S8,-7.2495078046,-1.6672724955,0.0293639969,0.0230292744,GGA,Pm,A8B5_mP13_6_4a4b_2a3b:S-Ti,13.0,A8B5_mP13_6_4a4b_2a3b:S-Ti +mp-1217445,Ti5S8,-7.247254361,-1.6650190519,0.0316174405,0.0252827179,GGA,Pm,A8B5_mP39_6_12a12b_6a9b:S-Ti,39.0,A8B5_mP39_6_12a12b_6a9b:S-Ti +mp-1217166,Ti5S8,-7.2437774162,-1.6615421071,0.0350943854,0.0287596628,GGA,Cm,A8B5_mC26_8_8a_5a:S-Ti,13.0,A8B5_mC26_8_8a_5a:S-Ti +mp-1208223,Ti5S8,-7.2788718015,-1.6966364924,0.0,-0.0063347226,GGA,C2/m,A8B5_mC26_12_2ij_ahi:S-Ti,13.0,A8B5_mC26_12_2ij_ahi:S-Ti +mp-1217172,Ti5S8,-7.1673586108,-1.5851233017,0.1115131908,0.1051784682,GGA,R3m,A8B5_hR39_160_8a_5a:S-Ti,13.0,A8B5_hR39_160_8a_5a:S-Ti +mp-616559,Ti2S,-7.8972913308,-1.2548133641,0.0,-0.0488732293,GGA,Pnnm,AB2_oP36_58_3g_6g:S-Ti,36.0,"Invalid WP multiplicities - AB2_oP36_58_10g_23g:S-Ti, expected Ti23S10 to be Ti2S" +mp-1101023,TiS,-4.884409865,1.1315610768,2.8513979650000003,2.7508977186,GGA,Pmmn,AB_oP4_59_a_a:S-Ti,4.0,AB_oP4_59_a_a:S-Ti +mp-557762,TiS,-7.5963860783,-1.5804151366,0.1394217517,0.0389215053,GGA,R-3m,AB_hR18_166_ac_bc:S-Ti,6.0,AB_hR18_166_ac_bc:S-Ti +mp-1018028,TiS,-7.73580783,-1.7198368882,0.0,-0.1005002464,GGA,P-6m2,AB_hP2_187_a_d:S-Ti,2.0,AB_hP2_187_a_d:S-Ti +mp-545,TiS,-7.464303695,-1.4483327532,0.271504135,0.1710038886,GGA,P6_3/mmc,AB_hP4_194_a_c:S-Ti,4.0,AB_hP4_194_a_c:S-Ti +mp-554462,TiS,-7.68552236,-1.6695514182,0.05028547,-0.0502147764,GGA,P6_3/mmc,AB_hP4_194_c_a:S-Ti,4.0,AB_hP4_194_c_a:S-Ti +mp-680850,Ti8S3,-7.8893672911,-1.019068588,0.0075968917,0.0075968917,GGA,C2/m,A3B8_mC88_12_6i_16i:S-Ti,44.0,"Invalid WP multiplicities - A3B8_mC88_12_12i_31i:S-Ti, expected Ti31S12 to be Ti8S3" +mp-684731,Ti13S24,-7.0970173019,-1.6398228959,0.0015802176,0.0015802176,GGA,P-1,A24B13_aP37_2_12i_acd5i:S-Ti,37.0,"Invalid WP multiplicities - A24B13_aP37_2_23i_acd9i:S-Ti, expected Ti21S46 to be Ti13S24" +mp-9920,TiS3,-6.4186635438,-1.3424531394,0.0,-0.136343782,GGA,P2_1/m,A3B_mP8_11_3e_e:S-Ti,8.0,A3B_mP8_11_3e_e:S-Ti +mp-559374,TiS3,-5.8768657775,-0.8006553732,0.5417977663,0.4054539842,GGA,R3m,A3B_hR12_160_b_a:S-Ti,4.0,A3B_hR12_160_b_a:S-Ti +mp-673657,Ti7S12,-7.1942701653,-1.6729100327,0.0,-0.0039327912,GGA,P-1,A12B7_aP38_2_12i_ad6i:S-Ti,38.0,"Invalid WP multiplicities - A12B7_aP38_2_23i_ad12i:S-Ti, expected Ti13S23 to be Ti7S12" +mp-936075,TiS2,-5.0396150942,0.3498488226,1.9579946325,1.9368059841,GGA,P-1,A2B_aP12_2_4i_abi:S-Ti,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_ab2i:S-Ti, expected Ti3S7 to be TiS2" +mp-685013,TiS2,-6.5988537742,-1.2093898574,0.3987559525,0.3775673041,GGA,P-1,A2B_aP12_2_4i_abi:S-Ti,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_ab2i:S-Ti, expected Ti3S7 to be TiS2" +mp-1386900,TiS2,-5.6138978125,-0.2244338957,1.3837119142,1.3625232657,GGA,P-1,A2B_aP12_2_4i_bci:S-Ti,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_bc2i:S-Ti, expected Ti3S7 to be TiS2" +mp-1062030,TiS2,-6.9940688,-1.6046048832,0.0035409267,-0.0176477218,GGA,C2/m,A2B_mC6_12_i_a:S-Ti,3.0,A2B_mC6_12_i_a:S-Ti +mp-1077263,TiS2,-6.9931522633,-1.6036883465,0.0044574633,-0.0167311851,GGA,C2/m,A2B_mC12_12_2i_i:S-Ti,6.0,A2B_mC12_12_2i_i:S-Ti +mp-1072088,TiS2,-6.8796020217,-1.4901381049,0.118007705,0.0968190566,GGA,Pnnm,A2B_oP6_58_g_a:S-Ti,6.0,A2B_oP6_58_g_a:S-Ti +mp-1101969,TiS2,-6.7140902075,-1.3246262907,0.2835195192,0.2623308707,GGA,Pnma,A2B_oP12_62_2c_c:S-Ti,12.0,A2B_oP12_62_2c_c:S-Ti +mp-1042098,TiS2,-6.770336645,-1.3808727282,0.2272730817,0.2060844332,GGA,I-42d,A2B_tI12_122_d_a:S-Ti,6.0,A2B_tI12_122_d_a:S-Ti +mp-1008682,TiS2,-6.5534415733,-1.1639776565,0.4441681533,0.4229795049,GGA,I4/mmm,A2B_tI6_139_e_a:S-Ti,3.0,A2B_tI6_139_e_a:S-Ti +mp-1216778,TiS2,-6.8294530883,-1.4399891715,0.1681566383,0.1469679899,GGA,R3m,A2B_hR36_160_2a2b_ab:S-Ti,12.0,A2B_hR36_160_2a2b_ab:S-Ti +mp-2156,TiS2,-6.9976097267,-1.6081458099,0.0,-0.0211886484,GGA,P-3m1,A2B_hP3_164_d_a:S-Ti,3.0,A2B_hP3_164_d_a:S-Ti +mp-1101258,TiS2,-6.9952880811,-1.6058241643,0.0023216456,-0.0188670029,GGA,P-3m1,A2B_hP9_164_3d_ac:S-Ti,9.0,"Invalid WP multiplicities - A2B_hP9_164_5d_ac:S-Ti, expected Ti3S10 to be TiS2" +mp-558110,TiS2,-6.9956886767,-1.6062247599,0.00192105,-0.0192675984,GGA,R-3m,A2B_hR9_166_c_a:S-Ti,3.0,A2B_hR9_166_c_a:S-Ti +mp-1008676,TiS2,-5.7140415433000005,-0.3245776265,1.2835681833,1.2623795349,GGA,P6/mmm,A2B_hP3_191_c_b:S-Ti,3.0,A2B_hP3_191_c_b:S-Ti +mp-1072192,TiS2,-6.2530627433,-0.8635988265000001,0.7445469833,0.7233583349,GGA,P6_3/mmc,A2B_hP6_194_ac_d:S-Ti,6.0,A2B_hP6_194_ac_d:S-Ti +mp-1077021,TiS2,-6.8558696067,-1.4664056899,0.14174012,0.1205514716,GGA,P6_3/mmc,A2B_hP6_194_f_c:S-Ti,6.0,A2B_hP6_194_f_c:S-Ti +mp-1102845,TiS2,-6.6765723892,-1.2871084724,0.3210373375,0.2998486891,GGA,Pa-3,A2B_cP12_205_c_a:S-Ti,12.0,A2B_cP12_205_c_a:S-Ti +mp-9027,TiS2,-6.977379095,-1.5879151782,0.0202306317,-0.0009580168,GGA,Fd-3m,A2B_cF48_227_e_c:S-Ti,12.0,A2B_cF48_227_e_c:S-Ti +mp-1101100,Ti3S4,-4.9002618029,0.8472061282000001,2.5577480393,2.5577480393,GGA,P3m1,A4B3_hP7_156_ab2c_2ab:S-Ti,7.0,A4B3_hP7_156_ab2c_2ab:S-Ti +mp-1217101,Ti3S4,-7.35508069,-1.6076127589,0.1029291521,0.1029291521,GGA,P3m1,A4B3_hP7_156_ab2c_2ab:S-Ti,7.0,A4B3_hP7_156_ab2c_2ab:S-Ti +mp-1217121,Ti3S4,-7.2358816371,-1.4884137061,0.222128205,0.222128205,GGA,P-3m1,A4B3_hP7_164_2d_ad:S-Ti,7.0,A4B3_hP7_164_2d_ad:S-Ti +mp-673637,Ti9S10,-7.5939417288,-1.6768929488,0.0395194741,0.0395194741,GGA,P1,A10B9_aP57_1_30a_27a:S-Ti,57.0,A10B9_aP57_1_30a_27a:S-Ti +mp-1216680,TiTeS,-6.37784115,-1.3194252244,0.0,-0.0262811683,GGA,P3m1,ABC_hP3_156_a_b_c:S-Te-Ti,3.0,ABC_hP3_156_a_b_c:S-Te-Ti +mp-1101099,Ti2S3,-7.346890647,-1.7068239202000002,0.0,-0.0070940417,GGA,C2/m,A3B2_mC20_12_ij_adg:S-Ti,10.0,"Invalid WP multiplicities - A3B2_mC20_12_2i3j_acg:S-Ti, expected TiS4 to be Ti2S3" +mp-1217192,Ti2S3,-7.3210469595,-1.6809802327,0.0258436875,0.0187496458,GGA,C2/c,A3B2_mC40_15_ce2f_2f:S-Ti,20.0,"Invalid WP multiplicities - A3B2_mC40_15_2a2e5f_6f:S-Ti, expected Ti6S7 to be Ti2S3" +mp-1232314,Ga(CuN)3,-5.43055819,0.3316133539,0.5192753164,0.5192753164,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cu-Ga-N,7.0,A3BC3_cP7_221_c_a_d:Cu-Ga-N +mp-12537,Ti2GaC,-7.770554625,-0.7586182379,0.0,-0.0639775133,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-Ti,8.0,ABC2_hP8_194_a_c_f:C-Ga-Ti +mp-1217125,Ti4GaC3,-8.5931508,-0.8061432292,0.0,-0.0223032975,GGA,P6_3/mmc,A3BC4_hP16_194_af_c_ef:C-Ga-Ti,16.0,A3BC4_hP16_194_af_c_ef:C-Ga-Ti +mp-1203152,Lu20Os5I24,-5.0146959573,-1.3021114686,0.0,-0.1180852059,GGA,P-1,A24B20C5_aP49_2_12i_10i_a2i:I-Lu-Os,49.0,A24B20C5_aP49_2_12i_10i_a2i:I-Lu-Os +mp-865521,LuI3,-3.86627545,-1.6310130575,0.0,-1.6310130575,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-Lu,8.0,A3B_hP8_194_h_c:I-Lu +mp-1212965,ErZrF7,-7.1787932944,-4.2348186042,0.0,-0.0238091408,GGA,P2_1,AB7C_mP18_4_a_7a_a:Er-F-Zr,18.0,AB7C_mP18_4_a_7a_a:Er-F-Zr +mp-1207044,Yb2Br2F,-3.298437144,-1.6790867065,1.1690399665,1.1690399665,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-F-Yb,,A2BC2_tP5_123_g_a_g:Br-F-Yb +mp-531687,Nd6F17,-6.9754006922,-4.3187038642,0.1013611521,0.1013611521,GGA,P3_2,A17B6_hP69_145_17a_6a:F-Nd,69.0,"Invalid WP multiplicities - A17B6_hP69_145_41a_17a:F-Nd, expected Nd17F41 to be Nd6F17" +mp-254,NdF3,-7.0436609783,-4.4180148946,0.0670510779,-0.2792570247,GGA,P-3c1,A3B_hP24_165_adg_f:F-Nd,24.0,A3B_hP24_165_adg_f:F-Nd +mp-1191157,NdF3,-6.8731380475,-4.2474919638,0.2375740088,-0.1087340939,GGA,P6_322,A3B_hP24_182_bfi_g:F-Nd,24.0,A3B_hP24_182_bfi_g:F-Nd +mp-18511,NdF3,-7.1107120563,-4.4850659725,0.0,-0.3463081026,GGA,P6_3cm,A3B_hP24_185_ab2c_c:F-Nd,24.0,A3B_hP24_185_ab2c_c:F-Nd +mp-18074,NdF3,-6.8710785196,-4.2454324358,0.2396335367,-0.1066745659,GGA,P6_3/mcm,A3B_hP24_193_bck_g:F-Nd,24.0,A3B_hP24_193_bck_g:F-Nd +mp-1875,TeF6,-4.4757504736,-2.388296231,0.0,-0.6245732668,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Te,28.0,"Invalid WP multiplicities - A6B_oP28_62_2c3d_c:F-Te, expected TeF8 to be TeF6" +mp-1396578,TeF6,-4.4750574586,-2.387603216,0.000693015,-0.6238802518000001,GGA,R-3,A6B_hR21_148_f_a:F-Te,7.0,A6B_hR21_148_f_a:F-Te +mp-12621,NdTeF,-6.15041889,-2.8761081256,0.0712888547,0.0712888547,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Nd-Te,6.0,ABC_tP6_129_a_c_c:F-Nd-Te +mp-561664,TeF4,-4.6270565025,-2.4692121498,0.0,-0.2401356676,GGA,P2_12_12_1,A4B_oP20_19_4a_a:F-Te,20.0,"Invalid WP multiplicities - A4B_oP20_19_13a_a:F-Te, expected TeF13 to be TeF4" +mp-754145,TbLuO3,-8.787407117,-3.9883305662,0.0662620235,0.0662620235,GGA,Pnma,AB3C_oP20_62_a_cd_c:Lu-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Lu-O-Tb, expected TbLuO7 to be TbLuO3" +mp-979938,Yb3Tc,-3.334282745,0.4105832013,0.4105832013,0.4105832013,GGA,I4/mmm,AB3_tI8_139_a_bd:Tc-Yb,,AB3_tI8_139_a_bd:Tc-Yb +mp-979954,Yb3Tc,-3.3292419575,0.4156239888,0.4156239888,0.4156239888,GGA,Fm-3m,AB3_cF16_225_a_bc:Tc-Yb,,AB3_cF16_225_a_bc:Tc-Yb +mp-1187518,YbTcO3,-7.85670274,-2.5086400683,0.0740273265,0.0740273265,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Tc-Yb,,A3BC_cP5_221_c_b_a:O-Tc-Yb +mp-1187845,YHoHg2,-3.4077718975,-0.4937117192,0.0074449275,0.0074449275,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Ho-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Ho-Y +mp-1093921,Y2HgIr,-3.7475846275,1.7711795654,2.4394803075,2.4394803075,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Ir-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Ir-Y +mp-1185576,CsYbI3,-3.251423318,-1.8804013776,0.0,-0.00662462,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cs-I-Yb,,AB3C_oP20_62_c_cd_a:Cs-I-Yb +mp-684627,Ce13O24,-9.2287880843,-3.9355262442,0.0045983316,0.0045983316,GGA,P1,A13B24_aP37_1_13a_24a:Ce-O,37.0,A13B24_aP37_1_13a_24a:Ce-O +mp-1018664,CeO2,-9.0854856783,-3.8099968192,0.1193144783,-0.027415431,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ce-O,6.0,AB2_tP6_136_a_f:Ce-O +mp-1062989,CeO2,-8.4373064333,-3.1618175742,0.7674937233,0.620763814,GGA,I4/mmm,AB2_tI6_139_a_e:Ce-O,3.0,AB2_tI6_139_a_e:Ce-O +mp-1018659,CeO2,-8.7753536817,-3.4998648225,0.429446475,0.2827165656,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ce-O,6.0,AB2_hP6_194_c_ad:Ce-O +mp-20194,CeO2,-9.2048001567,-3.9293112975,0.0,-0.1467299094,GGA,Fm-3m,AB2_cF12_225_a_c:Ce-O,3.0,AB2_cF12_225_a_c:Ce-O +mp-505619,Ce11O20,-9.2386548868,-3.9419531148,0.0002643535,0.0002643535,GGA,P-1,A11B20_aP31_2_a5i_10i:Ce-O,31.0,A11B20_aP31_2_a5i_10i:Ce-O +mp-32613,Ce5O9,-9.2389448232,-3.9399702392,0.0036300332,-0.0017721566,GGA,P-1,A5B9_aP28_2_5i_9i:Ce-O,28.0,"Invalid WP multiplicities - A5B9_aP28_2_8i_16i:Ce-O, expected CeO2 to be Ce5O9" +mp-760323,Ce5O9,-9.2425748564,-3.9436002724,0.0,-0.0054021898,GGA,I-4,A5B9_tI28_82_ag_c2g:Ce-O,14.0,"Invalid WP multiplicities - A5B9_tI28_82_ag_c4g:Ce-O, expected Ce5O17 to be Ce5O9" +mp-2629,Ce7O12,-9.2299175889,-3.9198181879,0.0,-0.0152790372,GGA,R-3,A7B12_hR57_148_af_2f:Ce-O,19.0,A7B12_hR57_148_af_2f:Ce-O +mp-673643,Ce17O32,-9.2258817386,-3.9369724652,0.0005039608,0.0005039608,GGA,P-1,A17B32_aP49_2_a8i_16i:Ce-O,49.0,"Invalid WP multiplicities - A17B32_aP49_2_a15i_30i:Ce-O, expected Ce31O60 to be Ce17O32" +mp-1205900,CeO3,-7.6294035488,-2.4361147266,0.5108687466,0.5108687466,GGA,P6_3/m,AB3_hP8_176_c_h:Ce-O,8.0,AB3_hP8_176_c_h:Ce-O +mp-684594,Ce16O27,-9.2055430107,-3.8918215762,0.0106408855,0.0106408855,GGA,P1,A16B27_aP86_1_32a_54a:Ce-O,86.0,A16B27_aP86_1_32a_54a:Ce-O +mp-561149,Ce2O3,-9.0700724113,-3.7288235226,0.0417354199,0.0265898195,GGA,C2/m,A2B3_mC30_12_3i_a4i:Ce-O,15.0,A2B3_mC30_12_5i_a7i:Ce-O +mp-20169,Ce2O3,-8.324968846,-2.9837199572,0.7868389853000001,0.7716933848,GGA,P321,A2B3_hP5_150_d_e:Ce-O,5.0,A2B3_hP5_150_d_e:Ce-O +mp-2721,Ce2O3,-9.067622244,-3.7263733552,0.0441855873,0.0290399868,GGA,P-3m1,A2B3_hP5_164_d_ad:Ce-O,5.0,A2B3_hP5_164_d_ad:Ce-O +mp-1182200,Ce2O3,-8.910272194000001,-3.5690233052,0.2015356373,0.1863900368,GGA,P-62m,A2B3_hP5_189_c_g:Ce-O,5.0,A2B3_hP5_189_c_g:Ce-O +mp-542313,Ce2O3,-9.1118078313,-3.7705589425,0.0,-0.0151456005,GGA,Ia-3,A2B3_cI80_206_ad_e:Ce-O,40.0,A2B3_cI80_206_ad_e:Ce-O +mp-10688,CeO,-8.67468693,-3.2347979969,0.0,-0.0926655448,GGA,Fm-3m,AB_cF8_225_a_b:Ce-O,2.0,AB_cF8_225_a_b:Ce-O +mp-1213901,Ce4Re6O19,-9.2458728924,-2.6118520219,0.0945177004,0.0945177004,GGA,I23,A4B19C6_cI58_197_c_adf_e:Ce-O-Re,29.0,A4B19C6_cI58_197_c_adf_e:Ce-O-Re +mp-769239,CeReO4,-9.1667216046,-2.8059930738,0.1081470107,0.1081470107,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-Re,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ce-O-Re, expected CeReO11 to be CeReO4" +mp-1187892,Yb2H6Ru,-4.4197151133,-0.7852734056,0.0,-0.3042913317,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:H-Ru-Yb,,A6BC2_cF36_225_e_a_c:H-Ru-Yb +mp-674320,Ce9DyO20,-9.0841481457,-3.8528693637,0.0177145234,0.0177145234,GGA,P-1,A9BC20_aP30_2_a4i_c_10i:Ce-Dy-O,30.0,"Invalid WP multiplicities - A9BC20_aP30_2_a8i_c_20i:Ce-Dy-O, expected Ce17DyO40 to be Ce9DyO20" +mp-756309,Ce4DyO9,-9.1241369607,-3.9198982563,0.0310456239,0.0310456239,GGA,Imm2,A4BC9_oI28_44_2c_a_b4c:Ce-Dy-O,14.0,"Invalid WP multiplicities - A4BC9_oI28_44_3c_a_b7c:Ce-Dy-O, expected Ce6DyO15 to be Ce4DyO9" +mp-675192,Ce3Dy2O9,-9.001672735,-3.8921699103,0.0661175779,0.0661175779,GGA,I-4m2,A3B2C9_tI28_119_ae_e_c4f:Ce-Dy-O,14.0,"Invalid WP multiplicities - A3B2C9_tI28_119_ae_e_c6f:Ce-Dy-O, expected Ce3Dy2O13 to be Ce3Dy2O9" +mp-673848,Ce2Dy2O7,-8.9629936059,-3.8987596997,0.0674303859,0.0674303859,GGA,Pmma,A2B2C7_oP22_51_af_cf_3e2j:Ce-Dy-O,22.0,"Invalid WP multiplicities - A2B2C7_oP22_51_af_2c2f_6e4j:Ce-Dy-O, expected CeDy2O7 to be Ce2Dy2O7" +mp-755380,Ce2Dy2O7,-8.9394813318,-3.8752474256,0.09094266,0.09094266,GGA,P-4m2,A2B2C7_tP11_115_g_g_abcef:Ce-Dy-O,11.0,"Invalid WP multiplicities - A2B2C7_tP11_115_g_g_abc2e2f:Ce-Dy-O, expected Ce2Dy2O11 to be Ce2Dy2O7" +mp-753763,Ce5Dy2O13,-9.0663527465,-3.9070541114,0.0425405195,0.0425405195,GGA,R3m,A5B2C13_hR60_160_5a_2a_13a:Ce-Dy-O,20.0,A5B2C13_hR60_160_5a_2a_13a:Ce-Dy-O +mp-1207015,Cs(PRu)2,-6.680892992,-0.6267304989,0.0,-0.1766381936,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Cs-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Cs-P-Ru +mp-647029,Gd3P4Pd7,-8.1448062864,-0.9918956138,0.0,-0.0130825375,GGA,C2/m,A3B4C7_mC28_12_ai_2i_c3i:Gd-P-Pd,14.0,"Invalid WP multiplicities - A3B4C7_mC28_12_ai_2i_c6i:Gd-P-Pd, expected Gd3P4Pd13 to be Gd3P4Pd7" +mp-1213489,Gd3(P3Pd10)2,-6.8673150497,-0.7188385683,0.0,-0.0356345253,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Gd-P-Pd,29.0,A3B6C20_cF116_225_ac_e_fh:Gd-P-Pd +mp-1077329,GdPPd,-9.48018365,-1.2570814644,0.0,-0.0395308397,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Gd-P-Pd,6.0,ABC_hP6_194_a_c_d:Gd-P-Pd +mp-961701,ZrAgB,-5.13444718,0.8854356214,1.4195500306,1.4195500306,GGA,F-43m,ABC_cF12_216_a_b_c:Ag-B-Zr,3.0,ABC_cF12_216_a_b_c:Ag-B-Zr +mp-12062,AgB2,-4.8732913167,0.523821865,0.523821865,0.523821865,GGA,P6/mmm,AB2_hP3_191_a_d:Ag-B,3.0,AB2_hP3_191_a_d:Ag-B +mp-12570,ThB12,-6.9893554031,-0.2534662108,0.0096971427,0.0096971427,GGA,Fm-3m,A12B_cF52_225_h_b:B-Th,13.0,A12B_cF52_225_h_b:B-Th +mp-542573,ThB4,-7.447756552,-0.6214714853000001,0.0,-0.1653216727,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Th,20.0,A4B_tP20_127_egi_h:B-Th +mp-1756,ThB6,-7.2730474957,-0.4887319421,0.0,-0.0268838745,GGA,Pm-3m,A6B_cP7_221_e_b:B-Th,7.0,A6B_cP7_221_e_b:B-Th +mp-9357,Th(CrB3)2,-8.0146992833,-0.5928877483,0.0,-0.0123076539,GGA,Immm,A6B2C_oI18_71_en_g_c:B-Cr-Th,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_e2n_g_c:B-Cr-Th, expected Th(CrB5)2 to be Th(CrB3)2" +mp-22528,ThCrB4,-7.8724450075,-0.5750328736,0.0,-0.0008938362,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Th,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Th +mp-1217367,Th2B15,-7.1572255635,-0.3914259716,0.0110591572,0.0110591572,GGA,P4/mmm,A15B2_tP34_123_5gl2s_2h:B-Th,34.0,"Invalid WP multiplicities - A15B2_tP34_123_10g4l14s_3h:B-Th, expected Th3B74 to be Th2B15" +mp-979412,Th3B,-6.687929975,0.5423116552,0.7365214944,0.7365214944,GGA,Pm-3m,AB3_cP4_221_a_c:B-Th,4.0,AB3_cP4_221_a_c:B-Th +mp-1221600,MnReB2,-9.084992235,-0.3436607303,0.0755913789,0.0755913789,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Mn-Re,8.0,A2BC_oP8_26_ab_a_b:B-Mn-Re +mp-1221607,MnRe3B2,-10.2036984225,-0.2279683577,0.0744407538,0.0744407538,GGA,F222,A2BC3_oF48_22_ej_e_fij:B-Mn-Re,12.0,A2BC3_oF48_22_ej_e_fij:B-Mn-Re +mp-1097265,Y2ZnOs,-3.9211138225,2.4338994942,2.75361603,2.75361603,GGA,Immm,AB2C_oI8_71_a_e_b:Os-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Os-Y-Zn +mp-1206190,ZnI6,-1.4146901086,0.0281587071,0.4164190338,0.4164190338,GGA,Cmmm,A6B_oC14_65_kp_a:I-Zn,7.0,A6B_oC14_65_kp_a:I-Zn +mp-27161,ZnI2,-2.3080995323,-0.9059407623,0.0,-0.9059407623,GGA,I4_1/acd,A2B_tI96_142_deg_g:I-Zn,48.0,A2B_tI96_142_deg_g:I-Zn +mp-570964,ZnI2,-2.16676086,-0.76460209,0.1413386723,-0.76460209,GGA,R-3m,A2B_hR9_166_c_a:I-Zn,3.0,A2B_hR9_166_c_a:I-Zn +mp-571292,ZnI2,-1.2180226967,0.1841360733,1.0900768356,0.1841360733,GGA,P6/mmm,A2B_hP3_191_c_b:I-Zn,3.0,A2B_hP3_191_c_b:I-Zn +mp-1219650,Rb2ZnI4,-2.69353071,-1.3914911164,0.0008840343,-0.0197030276,GGA,P2_1,A4B2C_mP14_4_4a_2a_a:I-Rb-Zn,14.0,A4B2C_mP14_4_4a_2a_a:I-Rb-Zn +mp-30018,Rb2ZnI4,-2.6944147443,-1.3923751507,0.0,-0.0205870619,GGA,P2_1/m,A4B2C_mP14_11_2ef_2e_e:I-Rb-Zn,14.0,A4B2C_mP14_11_2ef_2e_e:I-Rb-Zn +mp-38177,Rb2ZnI3,-2.4182497367,-1.1447646025,0.2411787633,0.2411787633,GGA,P2_1/m,A3B2C_mP12_11_ef_2e_e:I-Rb-Zn,12.0,"Invalid WP multiplicities - A3B2C_mP12_11_2ef_3e_e:I-Rb-Zn, expected Rb3ZnI4 to be Rb2ZnI3" +mp-1215726,Zr2P7Rh12,-7.6631491805,-0.8364723592000001,0.0603585721,0.0603585721,GGA,P-3,A7B12C2_hP21_147_ag_2g_d:P-Rh-Zr,21.0,A7B12C2_hP21_147_ag_2g_d:P-Rh-Zr +mp-1101753,ZrPRh,-8.3865488092,-1.2781118069,0.0,-0.215212876,GGA,Pnma,ABC_oP12_62_c_c_c:P-Rh-Zr,12.0,ABC_oP12_62_c_c_c:P-Rh-Zr +mp-1215493,Zr2BIr6,-9.2602060389,-0.7262729155000001,0.0866850744,-0.0429206227,GGA,P4/mmm,AB6C2_tP9_123_a_efg_h:B-Ir-Zr,9.0,"Invalid WP multiplicities - AB6C2_tP9_123_a_2e2fg_h:B-Ir-Zr, expected Zr2BIr10 to be Zr2BIr6" +mp-1078623,Zr2BIr6,-9.3468911133,-0.8129579899,0.0,-0.1296056972,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:B-Ir-Zr,9.0,AB6C2_cF36_225_a_e_c:B-Ir-Zr +mp-1215396,Zr4(B5Ir4)3,-8.2973109226,-0.5410886890000001,0.0,-0.0014421728,GGA,P-1,A15B12C4_aP31_2_bce6i_6i_2i:B-Ir-Zr,31.0,"Invalid WP multiplicities - A15B12C4_aP31_2_bce12i_12i_3i:B-Ir-Zr, expected Zr2B9Ir8 to be Zr4(B5Ir4)3" +mp-1190085,ZrB4Ir3,-8.2503918206,-0.527820539,0.0,-0.0036408715,GGA,P6_3/m,A4B3C_hP16_176_bh_h_c:B-Ir-Zr,16.0,A4B3C_hP16_176_bh_h_c:B-Ir-Zr +mp-1093557,YZnAg2,-1.8441820475,1.503649635,1.8120829249,1.8120829249,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Y-Zn,4.0,A2BC_oI8_71_e_a_b:Ag-Y-Zn +mp-1097424,YZn2Ag,-1.4117365825,1.5428920017,1.8853817624,1.8853817624,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Y-Zn +mp-1097232,Y2ZnAg,-2.1627602525,2.0935502075,2.4418663725,2.4418663725,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Y-Zn +mp-1187704,Y2ZnAg,-4.5997426675,-0.3434322075,0.0048839575,0.0048839575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Y-Zn +mp-972238,Ti2VIr,-8.979616035,-0.5512849642000001,0.0,-0.000887925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Ti-V,4.0,AB2C_cF16_225_a_c_b:Ir-Ti-V +mp-1096263,Ti2VRh,-4.9973334225,3.0624660708,3.5317879775,3.5317879775,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Ti-V,4.0,AB2C_oI8_71_a_e_b:Rh-Ti-V +mp-1183257,Al2Tc2O5,-7.6832324344,-1.8003576449,0.7317768669,0.7317768669,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Al-O-Tc,9.0,A2B5C2_tP9_123_h_ci_ab:Al-O-Tc +mp-1104677,Cd(Mo3S4)2,-7.532411834699999,-0.926519211,0.034725188,0.034725188,GGA,R-3,AB6C8_hR45_148_a_f_cf:Cd-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Cd-Mo-S +mp-1188730,Pr(HoS2)3,-6.7201984675,-2.3855153109,0.0,-0.018825619,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Ho-Pr-S,20.0,A3BC6_mP20_11_3e_e_6e:Ho-Pr-S +mp-1202975,Pr4(HoS2)11,-6.694449363,-2.3557461829,0.0226308242,0.0226308242,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Ho-Pr-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Ho-Pr-S +mp-1245664,Zr2CrN3,-10.0006373733,-1.3743151225,0.0962959283,0.0962959283,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Zr,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Zr +mp-1101755,GePtS,-5.6949364558,-0.7513994419000001,0.0,-0.1754651798,GGA,Pca2_1,ABC_oP12_29_a_a_a:Ge-Pt-S,12.0,ABC_oP12_29_a_a_a:Ge-Pt-S +mp-555599,CuS,-4.5630653567,-0.4452370882,0.0,-0.0674107875,GGA,Cmcm,AB_oC24_63_cf_cf:Cu-S,12.0,"Invalid WP multiplicities - AB_oC24_63_2c2f_2c3f:Cu-S, expected Cu3S4 to be CuS" +mp-1096941,CuS,-4.269846,-0.1520177316,0.2932193567,0.2258085691,GGA,P3m1,AB_hP2_156_a_b:Cu-S,2.0,AB_hP2_156_a_b:Cu-S +mp-504,CuS,-4.5624375458,-0.4446092774,0.0006278108,-0.0667829767,GGA,P6_3/mmc,AB_hP12_194_cf_de:Cu-S,12.0,AB_hP12_194_cf_de:Cu-S +mp-558139,CuS,-4.27698278,-0.1591545116,0.2860825767,0.2186717891,GGA,P6_3/mmc,AB_hP4_194_c_a:Cu-S,4.0,AB_hP4_194_c_a:Cu-S +mp-760381,CuS,-4.55037875,-0.4325504816,0.0126866067,-0.0547241809,GGA,F-43m,AB_cF8_216_a_c:Cu-S,2.0,AB_cF8_216_a_c:Cu-S +mp-1023128,CuS,-4.438159385,-0.3203311166,0.1249059717,0.0574951841,GGA,Fm-3m,AB_cF8_225_a_b:Cu-S,2.0,AB_cF8_225_a_b:Cu-S +mp-685056,Cu9S16,-3.9869855232,0.1360567928,0.5707410875,0.5707410875,GGA,R3m,A9B16_hR75_160_9a_16a:Cu-S,25.0,A9B16_hR75_160_9a_16a:Cu-S +mp-685126,Cu39S20,-4.2646440168,-0.1528125343,0.1575652509,0.1575652509,GGA,C2,A39B20_mC118_5_2ab18c_2a2b8c:Cu-S,59.0,"Invalid WP multiplicities - A39B20_mC118_5_2ab36c_2a2b16c:Cu-S, expected Cu25S12 to be Cu39S20" +mp-1225772,Cu3Pd13S7,-5.1260356283,-0.4046776888,0.0059432171,0.0059432171,GGA,R3m,A3B13C7_hR69_160_b_a2bc_a2b:Cu-Pd-S,23.0,"Invalid WP multiplicities - A3B13C7_hR69_160_b_a4b3c_a2b:Cu-Pd-S, expected Cu3Pd31S7 to be Cu3Pd13S7" +mp-684898,Cu18S11,-4.3812334231,-0.2679000233,0.0779571714,0.0779571714,GGA,P1,A18B11_aP29_1_18a_11a:Cu-S,29.0,A18B11_aP29_1_18a_11a:Cu-S +mp-684964,Cu11S20,-4.27649933,-0.153264791,0.2810304605,0.2810304605,GGA,R3m,A11B20_hR93_160_11a_20a:Cu-S,31.0,A11B20_hR93_160_11a_20a:Cu-S +mp-1225731,Cu3S2,-4.385675136,-0.2715711873,0.0913225606,0.0913225606,GGA,P-4m2,A3B2_tP5_115_ag_g:Cu-S,5.0,A3B2_tP5_115_ag_g:Cu-S +mp-624299,Cu7S4,-4.4457003657,-0.332950715,0.0,-0.0091419236,GGA,Pnma,A7B4_oP44_62_3c2d_2cd:Cu-S,44.0,"Invalid WP multiplicities - A7B4_oP44_62_11c11d_8c6d:Cu-S, expected Cu33S20 to be Cu7S4" +mp-675278,Cu11S16,-4.322269397,-0.2009926844,0.237265043,0.237265043,GGA,Cm,A11B16_mC54_8_11a_16a:Cu-S,27.0,A11B16_mC54_8_11a_16a:Cu-S +mp-685108,Cu9S5,-4.3361409264,-0.2236331147,0.1033720518,0.1033720518,GGA,P1,A9B5_aP14_1_9a_5a:Cu-S,14.0,A9B5_aP14_1_9a_5a:Cu-S +mp-684710,Cu9S5,-4.3898432271,-0.2773354154,0.0496697511,0.0496697511,GGA,P-1,A9B5_aP28_2_9i_5i:Cu-S,28.0,"Invalid WP multiplicities - A9B5_aP28_2_16i_8i:Cu-S, expected Cu2S to be Cu9S5" +mp-542333,Cu9S5,-4.3673022643,-0.2547944525,0.072210714,0.072210714,GGA,R-3m,A9B5_hR42_166_a4c_b2c:Cu-S,14.0,A9B5_hR42_166_a4c_b2c:Cu-S +mp-684604,CuS2,-4.4569842233,-0.3329487554,0.0997254833,-0.0361240299,GGA,C2,AB2_mC6_5_a_c:Cu-S,3.0,AB2_mC6_5_a_c:Cu-S +mp-849086,CuS2,-4.5567097067,-0.4326742388,0.0,-0.1358495133,GGA,Pnnm,AB2_oP6_58_a_g:Cu-S,6.0,AB2_oP6_58_a_g:Cu-S +mp-1147712,CuS2,-4.5169792292,-0.3929437612,0.0397304775,-0.0961190358,GGA,Pbca,AB2_oP12_61_a_c:Cu-S,12.0,AB2_oP12_61_a_c:Cu-S +mp-850099,CuS2,-4.0198553733,0.1041800946,0.5368543333,0.4010048201,GGA,P-4m2,AB2_tP3_115_a_g:Cu-S,3.0,AB2_tP3_115_a_g:Cu-S +mp-1068,CuS2,-4.5559603517,-0.4319248838,0.000749355,-0.1351001583,GGA,Pa-3,AB2_cP12_205_a_c:Cu-S,12.0,AB2_cP12_205_a_c:Cu-S +mp-674831,Cu2S,-4.3058810122,-0.1942599433,0.1109448788,0.1109448788,GGA,P1,A2B_aP18_1_12a_6a:Cu-S,18.0,A2B_aP18_1_12a_6a:Cu-S +mp-1225993,Cu2S,-4.3549087367,-0.2432876677,0.0619171544,0.0619171544,GGA,C2/m,A2B_mC12_12_ace_i:Cu-S,6.0,A2B_mC12_12_ade_i:Cu-S +mp-12087,Cu2S,-4.3225616733,-0.2109406044,0.0942642177,0.0942642177,GGA,Fm-3m,A2B_cF12_225_c_a:Cu-S,3.0,A2B_cF12_225_c_a:Cu-S +mp-581212,Cu2S,-4.4041879328,-0.2925668638,0.0126379583,0.0126379583,GGA,P2_1/c,A2B_mP144_14_24e_12e:Cu-S,144.0,"Invalid WP multiplicities - A2B_mP144_14_96e_46e:Cu-S, expected Cu48S23 to be Cu2S" +mp-1225835,Cu2S,-4.3728432833,-0.2612222144,0.0439826077,0.0439826077,GGA,C2/c,A2B_mC12_15_ce_e:Cu-S,6.0,A2B_mC12_15_ae_e:Cu-S +mp-1225811,Cu2S,-4.3610016233,-0.2493805544,0.0558242677,0.0558242677,GGA,Imm2,A2B_oI6_44_c_a:Cu-S,3.0,A2B_oI6_44_c_a:Cu-S +mp-618991,Cu2S,-4.36904471,-0.257423641,0.047781181,0.047781181,GGA,P4_32_12,A2B_tP12_96_b_a:Cu-S,12.0,A2B_tP12_96_b_a:Cu-S +mp-1394093,Cu2S,-4.2891484817,-0.1775274127,0.1276774094,0.1276774094,GGA,I-42d,A2B_tI12_122_d_a:Cu-S,6.0,A2B_tI12_122_d_a:Cu-S +mp-553942,Cu2S,-4.1783696167,-0.0667485477,0.2384562744,0.2384562744,GGA,P6_3/mmc,A2B_hP6_194_bc_d:Cu-S,6.0,"Invalid WP multiplicities - A2B_hP6_194_2bc_d:Cu-S, expected Cu3S to be Cu2S" +mp-1102079,TmAsS,-6.1122600233,-1.6884587916,0.0,-0.0342291749,GGA,Pnma,ABC_oP12_62_c_c_c:As-S-Tm,12.0,ABC_oP12_62_c_c_c:As-S-Tm +mp-2275605,TmAsS,-6.10572583,-1.6819245983000002,0.0065341933,-0.0276949815,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-Tm,6.0,ABC_tP6_129_a_c_c:As-S-Tm +mp-19828,PuRu3C,-10.02903199,0.2349102985,0.2703632265,0.2703632265,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pu-Ru,5.0,ABC3_cP5_221_b_a_c:C-Pu-Ru +mp-1222761,LaPrC4,-7.90042392,-0.1284947817,0.0101785306,0.0101785306,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-La-Pr,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_c_b:C-La-Pr, expected LaPrC6 to be LaPrC4" +mp-865488,LuUTc2,-9.19929759,-0.065887985,0.1423869012,0.1423869012,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tc-U,4.0,AB2C_cF16_225_a_c_b:Lu-Tc-U +mp-1206607,La2AsI2,-5.253803138,-1.7582300750000002,0.0,-0.0714130855,GGA,P-3m1,AB2C2_hP5_164_a_d_d:As-I-La,5.0,AB2C2_hP5_164_a_d_d:As-I-La +mp-29997,La3AsI3,-5.0655550368,-1.6530923554,0.0,-0.0282835682,GGA,I4_132,AB3C3_cI56_214_a_h_g:As-I-La,28.0,AB3C3_cI56_214_a_h_g:As-I-La +mp-1097683,Y2AgOs,-4.43765258,2.310563835,2.6118176975000003,2.6118176975000003,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Os-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Os-Y +mp-1096188,Ta2VRh,-6.0218742625,4.0190680375,4.2723212784,4.2723212784,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Ta-V,4.0,AB2C_oI8_71_a_e_b:Rh-Ta-V +mp-571146,SnICl,-3.53529634,-1.091471385,0.0,-0.0010838557,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-I-Sn,12.0,ABC_oP12_62_c_c_c:Cl-I-Sn +mp-1246386,SbPb3N,-4.431566195,0.28912128,0.295102212,0.295102212,GGA,Imma,AB3C_oI20_74_a_eg_e:N-Pb-Sb,10.0,AB3C_oI20_74_a_eg_e:N-Pb-Sb +mp-1219498,SbPb3,-3.7204164975,0.096319115,0.10379528,0.10379528,GGA,P-6m2,A3B_hP4_187_ah_b:Pb-Sb,4.0,A3B_hP4_187_ah_b:Pb-Sb +mp-1186960,SbPb3,-3.7125961925,0.10413942,0.111615585,0.111615585,GGA,P6_3/mmc,A3B_hP8_194_h_c:Pb-Sb,8.0,A3B_hP8_194_h_c:Pb-Sb +mp-1219460,SbPb,-3.911408915,0.00941524,0.02436757,0.00941524,GGA,Cmmm,AB_oC4_65_a_c:Pb-Sb,2.0,AB_oC4_65_a_c:Pb-Sb +mp-1206982,SbPb,-3.935776485,-0.01495233,0.0,-0.01495233,GGA,Fm-3m,AB_cF8_225_a_b:Pb-Sb,2.0,AB_cF8_225_a_b:Pb-Sb +mp-1219484,SbPb4,-3.736678088,0.059239816,0.065220748,0.065220748,GGA,R-3m,A4B_hR15_166_2c_a:Pb-Sb,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Pb-Sb, expected SbPb6 to be SbPb4" +mp-973199,Sb3Pb,-3.9646944513,0.0602182462,0.0676944112,0.0676944112,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pb-Sb,8.0,AB3_hP8_194_c_h:Pb-Sb +mp-1247088,Co4Te3N2,-6.1635420019,-0.1039665897,0.1734853039,0.1734853039,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Co-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Co-N-Te +mp-865002,CaYRh2,-6.3998655975,-0.5996939142000001,0.0015785205,0.0015785205,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Ca-Rh-Y +mp-8255,CaPtF6,-5.12342562,-2.6802247444,0.0,-0.1147136181,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Pt,8.0,AB6C_hR24_148_a_f_b:Ca-F-Pt +mp-1216066,Y2CoRu3,-8.256065285,-0.2786540114,0.0013884871,0.0013884871,GGA,R-3m,AB3C2_hR18_166_a_d_c:Co-Ru-Y,6.0,AB3C2_hR18_166_a_d_c:Co-Ru-Y +mp-570623,Pr4Te3N2,-6.7366671028,-1.7114970417,0.0,-0.1099391043,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Pr-Te,36.0,"Invalid WP multiplicities - A2B4C3_oP36_62_d_6c4d_2c2d:N-Pr-Te, expected Pr7Te3N to be Pr4Te3N2" +mp-1187042,SmYRh2,-7.25631421,-0.7778959629000001,0.012254405,0.012254405,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Rh-Sm-Y +mp-1066,YbN,-5.6305233050000005,-0.6924717025,0.3212421937,0.3212421937,GGA,Fm-3m,AB_cF8_225_a_b:N-Yb,,AB_cF8_225_a_b:N-Yb +mp-1199062,Rb3YbN6,-3.9561100767,1.493907928,1.9790190337,1.9790190337,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_e:N-Rb-Yb,,A6B3C_mP40_14_6e_3e_e:N-Rb-Yb +mp-864675,Yb3N2,-5.34986048,-1.091497542,0.0,-0.53752018,GGA,R-3c,A2B3_hR30_167_c_e:N-Yb,,A2B3_hR30_167_c_e:N-Yb +mp-864757,YbN2,-6.95494053,-0.8840744867,0.0,-0.2776869633,GGA,P4_2/mnm,A2B_tP6_136_f_a:N-Yb,,A2B_tP6_136_f_a:N-Yb +mp-1216238,Y2(InSn)3,-4.5746343362,-0.4225457135,0.0252554459,0.0252554459,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Y,8.0,A3B3C2_oP8_47_aj_bgh_k:In-Sn-Y +mp-865585,VGeRu2,-8.42816334,-0.3642285887,0.0,-0.1002580677,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ru-V,4.0,AB2C_cF16_225_a_c_b:Ge-Ru-V +mp-1206323,CsYbH3,-2.994565564,-0.4719278066,0.0499967945,0.0499967945,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-H-Yb,,AB3C_cP5_221_a_c_b:Cs-H-Yb +mp-1025273,Cs2YbH4,-2.82407879,-0.4096049037,0.0267989075,0.0267989075,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-H-Yb,,A2B4C_tI14_139_e_ce_a:Cs-H-Yb +mp-1208879,SnIBr,-3.330340315,-0.9850181367,0.0001825189,0.0001825189,GGA,Pnma,ABC_oP12_62_c_c_c:Br-I-Sn,12.0,ABC_oP12_62_c_c_c:Br-I-Sn +mp-28118,AlSbI6,-2.9240831694,-0.8347362731,0.0025816659,0.0025816659,GGA,C2/m,AB6C_mC32_12_i_2i2j_g:Al-I-Sb,16.0,AB6C_mC32_12_i_2i2j_g:Al-I-Sb +mp-1200512,Er6Al43W4,-4.8039616751,-0.2700259304,0.0,-0.0062066608,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Er-W +mp-29807,Hf27P16,-9.3391433033,-1.0727027471,0.0189790628,0.0189790628,GGA,Immm,A27B16_oI86_71_ae2h5n_ef2g2n:Hf-P,43.0,A27B16_oI86_71_ae2h5n_ef2g2n:Hf-P +mp-9953,HfP,-8.9788599625,-1.2936141942,0.0,-0.2252814497,GGA,P6_3/mmc,AB_hP8_194_f_ac:Hf-P,8.0,AB_hP8_194_f_ac:Hf-P +mp-18622,Hf7P4,-9.3771287841,-1.0722621262,0.0003571758,0.0003571758,GGA,C2/m,A7B4_mC44_12_ad6i_4i:Hf-P,22.0,A7B4_mC44_12_ac6i_4i:Hf-P +mp-504659,Hf2P,-9.4468721711,-1.0043119822,0.0,-0.0067151046,GGA,Pnnm,A2B_oP36_58_6g_3g:Hf-P,36.0,"Invalid WP multiplicities - A2B_oP36_58_21g_10g:Hf-P, expected Hf21P10 to be Hf2P" +mp-1184666,HfP3,-6.73086822,-0.1815940825,0.5118362992000001,0.5118362992000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Hf-P,8.0,AB3_hP8_194_c_h:Hf-P +mp-504812,Hf3P,-9.6134848431,-0.792267444,0.0,-0.0390334573,GGA,P4_2/n,A3B_tP32_86_3g_g:Hf-P,32.0,A3B_tP32_86_3g_g:Hf-P +mp-20672,Hf3P2,-9.2942225065,-1.1545880858,0.0,-0.0232987415,GGA,Pnma,A3B2_oP20_62_3c_2c:Hf-P,20.0,A3B2_oP20_62_3c_2c:Hf-P +mp-1102018,HfP2,-7.85250519,-0.9245738422,0.0,-0.0621643794,GGA,Pnma,AB2_oP12_62_c_2c:Hf-P,12.0,AB2_oP12_62_c_2c:Hf-P +mp-1193199,Hf9Re4P,-10.7967403557,-0.4534466045,0.0,-0.0108711504,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-P-Re,28.0,A9BC4_hP28_194_hk_c_ah:Hf-P-Re +mp-22434,HfFeP,-8.9872336467,-1.0403960644,0.0,-0.1779866017,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Hf-P,12.0,ABC_oP12_62_c_c_c:Fe-Hf-P +mp-1102664,Hf4FeP,-9.4964691542,-0.5444558481,0.071823536,0.071823536,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Fe-Hf-P,12.0,AB4C_tP12_124_a_m_c:Fe-Hf-P +mp-570823,Ba(BSe3)2,-4.9185176706,-0.8903812986,0.0,-0.0001113298,GGA,Cmce,A2BC6_oC36_64_d_a_fg:B-Ba-Se,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_2f3g:B-Ba-Se, expected Ba(BSe8)2 to be Ba(BSe3)2" +mp-583221,Ba7B4Se13,-5.1082979106,-1.5417462076,0.0,-0.037256429,GGA,C2/c,A4B7C13_mC96_15_2f_3e2f_e6f:B-Ba-Se,48.0,"Invalid WP multiplicities - A4B7C13_mC96_15_8f_4e7f_2e20f:B-Ba-Se, expected Ba9B8Se21 to be Ba7B4Se13" +mp-30105,Ba2B4Se13,-4.876477555,-0.8763530196,0.0,-0.020087958,GGA,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:B-Ba-Se,76.0,A4B2C13_mP76_14_4e_2e_13e:B-Ba-Se +mp-961668,AlVPt,-6.4378532833,-0.13764821,0.6046053022,0.6046053022,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Pt-V,3.0,ABC_cF12_216_a_b_c:Al-Pt-V +mp-1246803,Cr(SnN)3,-6.5580814514,0.1120968071,0.3096787264,0.3096787264,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cr-N-Sn,14.0,AB3C3_hP14_176_c_h_h:Cr-N-Sn +mp-10376,Cr3SnN,-8.438863882,-0.177822044,0.1258481023,0.1258481023,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cr-N-Sn,5.0,A3BC_cP5_221_c_b_a:Cr-N-Sn +mp-1209912,Pd3Se2S,-5.0217290269,-0.5770759848,0.0,-0.0017361742,GGA,P4_2/mbc,A3BC2_tP48_135_g2h_g_i:Pd-S-Se,48.0,A3BC2_tP48_135_g2h_g_i:Pd-S-Se +mp-1219871,PdSeS,-4.8599175042,-0.589169786,0.0117323796,0.0117323796,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:Pd-S-Se,12.0,ABC_oP12_19_a_a_a:Pd-S-Se +mp-582826,GdRuC2,-10.6432696675,-0.1913057263,0.0,-0.0233258395,GGA,Cmcm,A2BC_oC16_63_g_c_a:C-Gd-Ru,8.0,A2BC_oC16_63_g_c_a:C-Gd-Ru +mp-7142,OsC,-9.3119312,0.9160852613,0.9160852613,0.9160852613,GGA,P-6m2,AB_hP2_187_a_d:C-Os,2.0,AB_hP2_187_a_d:C-Os +mp-999308,OsC,-9.3002426775,0.9277737838,0.9277737838,0.9277737838,GGA,P6_3/mmc,AB_hP4_194_c_a:C-Os,4.0,AB_hP4_194_c_a:C-Os +mp-1080659,OsC,-9.45142081,0.7765956513000001,0.7765956513000001,0.7765956513000001,GGA,P2_13,AB_cP8_198_a_a:C-Os,8.0,AB_cP8_198_a_a:C-Os +mp-1009540,OsC,-9.511040635,0.7169758262,0.7169758262,0.7169758262,GGA,F-43m,AB_cF8_216_a_c:C-Os,2.0,AB_cF8_216_a_c:C-Os +mp-1009537,OsC,-8.74850021,1.4795162513,1.4795162513,1.4795162513,GGA,Pm-3m,AB_cP2_221_a_b:C-Os,2.0,AB_cP2_221_a_b:C-Os +mp-1009539,OsC,-8.836197795,1.3918186662,1.3918186662,1.3918186662,GGA,Fm-3m,AB_cF8_225_a_b:C-Os,2.0,AB_cF8_225_a_b:C-Os +mp-1221496,Mo3Os3C2,-10.4074439363,0.1771040144,0.2404128245,0.2404128245,GGA,P-3m1,A2B3C3_hP8_164_d_ad_bd:C-Mo-Os,8.0,"Invalid WP multiplicities - A2B3C3_hP8_164_d_a2d_b2d:C-Mo-Os, expected Mo5Os5C2 to be Mo3Os3C2" +mp-1008835,OsC2,-9.2937442267,0.6011552450000001,0.6011552450000001,0.6011552450000001,GGA,P-6m2,A2B_hP3_187_h_a:C-Os,3.0,A2B_hP3_187_h_a:C-Os +mp-1018850,OsC2,-9.31514233,0.5797571417,0.5797571417,0.5797571417,GGA,P6_3/mmc,A2B_hP6_194_e_c:C-Os,6.0,A2B_hP6_194_e_c:C-Os +mp-1197685,Os2C3,-8.8559761223,1.1721701452,1.1721701452,1.1721701452,GGA,Pbcn,A3B2_oP40_60_3d_2cd:C-Os,40.0,A3B2_oP40_60_3d_2cd:C-Os +mp-1189780,Os2C3,-8.803811167,1.2243351005,1.2243351005,1.2243351005,GGA,P-4c2,A3B2_tP20_116_ej_adi:C-Os,20.0,A3B2_tP20_116_ej_adi:C-Os +mp-22488,Co2C,-7.7060085917,0.1090917692,0.1090917692,0.1090917692,GGA,Pnnm,AB2_oP6_58_a_g:C-Co,6.0,AB2_oP6_58_a_g:C-Co +mp-1078624,LaCoC2,-7.9099391263,-0.284525155,0.0,-0.1643155255,GGA,Cc,A2BC_mC16_9_2a_a_a:C-Co-La,8.0,A2BC_mC16_9_2a_a_a:C-Co-La +mp-20925,Co3C,-7.5074474675,0.1309572519,0.1309572519,0.1309572519,GGA,Pnma,AB3_oP16_62_c_cd:C-Co,16.0,"Invalid WP multiplicities - AB3_oP16_62_c_c2d:C-Co, expected Co5C to be Co3C" +mp-19835,Nb2InC,-8.4529544625,-0.4072146369,0.0,-0.0576909875,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-Nb,8.0,ABC2_hP8_194_a_c_f:C-In-Nb +mp-22513,Dy3TlC,-3.465007924,1.6173259078000002,1.916393434,1.916393434,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Dy-Tl,5.0,AB3C_cP5_221_a_c_b:C-Dy-Tl +mp-1093714,V2ReRh,-5.9676528175,3.5265089812,3.8517717087,3.8517717087,GGA,Immm,ABC2_oI8_71_a_b_e:Re-Rh-V,4.0,ABC2_oI8_71_a_b_e:Re-Rh-V +mp-1097434,Nb2OsW,-6.5204056325,4.5766213025,4.7570075703,4.7570075703,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Os-W,4.0,A2BC_oI8_71_e_a_b:Nb-Os-W +mp-631431,InHgW2,-6.1484380975,1.0944680412,1.0944680412,1.0944680412,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-W,4.0,ABC2_cF16_225_a_b_c:Hg-In-W +mp-1093689,YTlAu2,-2.7851283125,1.0590912525,1.7052212217,1.7052212217,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Tl-Y,4.0,A2BC_oI8_71_e_a_b:Au-Tl-Y +mp-631424,ReW2Br,-8.86188488,1.1165691138,1.4558821892,1.4558821892,GGA,F-43m,ABC2_cF16_216_a_c_bd:Br-Re-W,4.0,ABC2_cF16_216_a_c_bd:Br-Re-W +mp-1185075,K3Ta,-2.3884831175,1.4087605002,1.4087605002,1.4087605002,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Ta,4.0,A3B_tI8_139_ad_b:K-Ta +mp-1185022,K3Ta,-2.3865585475,1.4106850702,1.4106850702,1.4106850702,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Ta,4.0,A3B_cF16_225_ac_b:K-Ta +mp-1185153,KPt,-3.317261905,0.2735042285,0.2735042285,0.2735042285,GGA,P-6m2,AB_hP2_187_a_d:K-Pt,2.0,AB_hP2_187_a_d:K-Pt +mp-1062676,K2Pt,-2.7546323733,0.009344698,0.009344698,0.009344698,GGA,Fm-3m,A2B_cF12_225_c_a:K-Pt,3.0,A2B_cF12_225_c_a:K-Pt +mp-1185053,KPt3,-4.3957996587,0.435150068,0.435150068,0.435150068,GGA,P6_3/mmc,AB3_hP8_194_c_h:K-Pt,8.0,AB3_hP8_194_c_h:K-Pt +mp-631314,KTaPt,-5.19007443,1.1563622023,1.529771899,1.529771899,GGA,F-43m,ABC_cF12_216_a_b_c:K-Pt-Ta,3.0,ABC_cF12_216_a_b_c:K-Pt-Ta +mp-1022484,Mg6ZrW,-3.5978062369,0.2906326581,0.3340823656,0.3340823656,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-W-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-W-Zr, expected Mg12ZrW to be Mg6ZrW" +mp-1022503,Mg6ZrW,-3.6579925006,0.2304463944,0.2738961018,0.2738961018,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-W-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-W-Zr, expected Mg12ZrW to be Mg6ZrW" +mp-1027853,Mg14ZrW,-2.60979821,0.1345612625,0.1670198883,0.1670198883,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-W-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-W-Zr, expected Mg18ZrW to be Mg14ZrW" +mp-1027835,Mg14ZrW,-2.5531273869,0.1912320856,0.2236907114,0.2236907114,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-W-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-W-Zr, expected Mg26ZrW to be Mg14ZrW" +mp-865603,Y2IrRh,-8.1280577225,-0.8441366533,0.0,-0.0079747075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Y,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Y +mp-643930,Eu2H4Pd,-6.1581886911,-0.5489330354,0.0839050591,0.0839050591,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Eu-H-Pd,28.0,A2B4C_oP28_62_2c_2cd_c:Eu-H-Pd +mp-644246,EuH3Pd,-5.650350778,-0.527338429,0.0,-0.082551436,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-H-Pd,5.0,AB3C_cP5_221_a_c_b:Eu-H-Pd +mp-1096689,Y2PtPb,-4.098685065,1.5804955892,2.4611112477,2.4611112477,GGA,Immm,ABC2_oI8_71_a_b_e:Pb-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Pb-Pt-Y +mp-505525,Nb4Zn2C,-7.6470181161,-0.1965362771,0.0759583796,0.0759583796,GGA,Fd-3m,AB4C2_cF112_227_c_df_e:C-Nb-Zn,28.0,AB4C2_cF112_227_c_df_e:C-Nb-Zn +mp-672681,Nb8Zn4C3,-7.6988499547,-0.1298225388,0.2145130077,0.2145130077,GGA,Fd-3m,A3B8C4_cF120_227_ac_df_e:C-Nb-Zn,30.0,"Invalid WP multiplicities - A3B8C4_cF120_227_a2c_3d4f_e:C-Nb-Zn, expected Nb30Zn4C5 to be Nb8Zn4C3" +mp-1209221,RbSr2I5,-3.3913303462,-1.9255362551,0.0103323747,0.0103323747,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:I-Rb-Sr,32.0,A5BC2_mP32_14_5e_e_2e:I-Rb-Sr +mp-23181,SrI2,-3.5260481192,-1.9806394014,0.0153009283,-1.9806394014,GGA,Pbca,A2B_oP24_61_2c_c:I-Sr,24.0,A2B_oP24_61_2c_c:I-Sr +mp-568284,SrI2,-3.5413490475,-1.9959403297,0.0,-1.9959403297,GGA,Pnma,A2B_oP12_62_2c_c:I-Sr,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:I-Sr, expected SrI5 to be SrI2" +mp-1187178,SrI2,-3.5290479567,-1.9836392389,0.0123010908,-1.9836392389,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Sr,6.0,A2B_tP6_136_f_a:I-Sr +mp-1205862,RbSrI3,-3.317850925,-1.8998256098,0.0,-0.0137919785,GGA,Cmcm,A3BC_oC20_63_cf_c_a:I-Rb-Sr,10.0,A3BC_oC20_63_cf_c_a:I-Rb-Sr +mp-1207571,Yb3SnH2,-3.2638841083,-0.6949093108000001,0.0,-0.0112230496,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:H-Sn-Yb,,A2BC3_oC24_63_e_c_cg:H-Sn-Yb +mp-1219401,Sm2UTe5,-6.2434065,-1.6877675317,0.0,-0.2695945341,GGA,Pmm2,A2B5C_oP16_25_a3d_3a3bc3d_2a:Sm-Te-U,16.0,A2B5C_oP16_25_a3d_3a3bc3d_2a:Sm-Te-U +mp-1219038,SmUTe6,-5.4266091775,-1.0678802394,0.0655861781,0.0655861781,GGA,Amm2,AB6C_oC16_38_a_3a3b_b:Sm-Te-U,8.0,AB6C_oC16_38_a_3a3b_b:Sm-Te-U +mp-16340,GdPPt,-9.8726485533,-1.3524625311,0.0,-0.1349775514,GGA,P-6m2,ABC_hP3_187_b_c_e:Gd-P-Pt,3.0,ABC_hP3_187_b_c_e:Gd-P-Pt +mp-571330,Nd3AlC,-5.641865188,-0.186128464,0.026321534,0.026321534,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Nd,5.0,ABC3_cP5_221_a_b_c:Al-C-Nd +mp-567220,Hf2SbP,-8.394477925,-1.0303074733,0.0,-0.064089865,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Hf-P-Sb,8.0,A2BC_hP8_194_f_a_c:Hf-P-Sb +mp-1186670,PuAs3,-7.5588700925,-0.4975717063,0.032997845,0.032997845,GGA,Pm-3m,A3B_cP4_221_c_a:As-Pu,4.0,A3B_cP4_221_c_a:As-Pu +mp-1209622,PuAsO4,-8.9781583142,-2.5258730508,0.0944130029,0.0944130029,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-Pu,24.0,AB4C_mP24_14_e_4e_e:As-O-Pu +mp-20773,PuAs,-10.31756843,-0.8540900625000001,0.20704904,-0.5223755917,GGA,Pm-3m,AB_cP2_221_a_b:As-Pu,2.0,AB_cP2_221_a_b:As-Pu +mp-2548,PuAs,-10.52461747,-1.0611391025,0.0,-0.7294246317,GGA,Fm-3m,AB_cF8_225_a_b:As-Pu,2.0,AB_cF8_225_a_b:As-Pu +mp-20482,EuAgP,-6.9336035467,-0.7659834433,0.0,-0.069766868,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Eu-P,6.0,ABC_hP6_194_c_a_d:Ag-Eu-P +mp-1225132,EuTmB12,-7.1963944093,-0.4188559469,0.032566066,0.032566066,GGA,P4/mmm,A12BC_tP14_123_iq_a_c:B-Eu-Tm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_2iq_a_c:B-Eu-Tm, expected EuTmB16 to be EuTmB12" +mp-1219525,ReBMo,-10.273324155,-0.2834677997,0.0513554133,0.0513554133,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Mo-Re,6.0,ABC_oF24_69_f_g_h:B-Mo-Re +mp-1072182,HoB2Ir3,-8.1048746467,-0.6954588214,0.0,-0.1759338641,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ho-Ir,6.0,A2BC3_hP6_191_c_a_g:B-Ho-Ir +mp-1191090,SrBPd4,-5.3835937779,-0.5355250339000001,0.0,-0.0845953629,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-Pd-Sr,24.0,AB4C_oP24_62_c_2cd_c:B-Pd-Sr +mp-242,SrB6,-6.4169308771,-0.4503817231,0.0,-0.4503817231,GGA,Pm-3m,A6B_cP7_221_e_b:B-Sr,7.0,A6B_cP7_221_e_b:B-Sr +mp-1008755,SrB2,-4.8338469867,0.182245345,0.5325422407,0.5325422407,GGA,P6/mmm,A2B_hP3_191_c_b:B-Sr,3.0,A2B_hP3_191_c_b:B-Sr +mp-1193305,Ta4Co2N,-10.608164125,-0.6104154057,0.0,-0.0233663294,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Co-N-Ta,28.0,A2BC4_cF112_227_e_c_df:Co-N-Ta +mp-1246106,TaCo2N3,-8.86598279,-0.3519997908,0.2472078397,0.2472078397,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Co-N-Ta,24.0,A2B3C_mC48_15_2f_2e2f_f:Co-N-Ta +mp-1245350,TaCoN2,-9.4875820562,-0.5778107375,0.2831453375,0.2831453375,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Co-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:Co-N-Ta +mp-649833,Tb15(Ni4P3)7,-6.4492938407,-1.0580646035,0.0,-0.0202038824,GGA,P6_3/m,A28B21C15_hP128_176_c9h_7h_5h:Ni-P-Tb,128.0,"Invalid WP multiplicities - A28B21C15_hP128_176_2c53h_35h_22h:Ni-P-Tb, expected Tb66(Ni23P15)7 to be Tb15(Ni4P3)7" +mp-5517,Tb(NiP)2,-6.4220903,-1.0178414053,0.0,-0.0421861796,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Tb,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Tb +mp-568617,Tb8Ni18P11,-6.4047718449,-0.9814281526,0.0,-0.0117582246,GGA,P-6m2,A18B11C8_hP74_187_3j3kl2m_aj2klm_cj2kl:Ni-P-Tb,74.0,"Invalid WP multiplicities - A18B11C8_hP74_187_9j9k6l10m_a3j5k5l5m_c3j5k3l:Ni-P-Tb, expected Tb43(Ni30P17)5 to be Tb8Ni18P11" +mp-1217778,Tb3Ni7P5,-6.4106468455,-0.9819423393,0.007110398,0.007110398,GGA,Pm,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Tb,60.0,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Tb +mp-505597,Tb(Ni2P)2,-6.3381159414,-0.8264705367,0.0,-0.0218747586,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-Tb,14.0,A4B2C_tP14_136_i_f_a:Ni-P-Tb +mp-1190664,Tb2Ni12P7,-6.320614029,-0.7718764144,0.0,-0.0426234082,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Tb,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Tb +mp-1208320,TbNiP,-6.49095273,-1.2150176344,0.0,-0.0703132915,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ni-P-Tb,12.0,ABC_hP12_194_f_f_ab:Ni-P-Tb +mp-1186667,PmYCu2,-5.05111214,-0.197255446,0.0,-0.0014611969,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Pm-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Pm-Y +mp-1246827,Sr7TeN6,-5.1486365886,-0.5065844731,0.3761104043,0.3761104043,GGA,Ibam,A6B7C_oI56_72_jk_ajk_b:N-Sr-Te,28.0,A6B7C_oI56_72_jk_ajk_b:N-Sr-Te +mp-1246836,Sr2PdN2,-5.596945132,-0.5505734187,0.141984222,0.141984222,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Pd-Sr,5.0,A2BC2_tI10_139_e_a_e:N-Pd-Sr +mp-1217226,Ti3V3Ge5,-7.2794358132,-0.5473145827,0.0,-0.0453863614,GGA,C2/m,A5B3C3_mC44_12_g4i_3i_ij:Ge-Ti-V,22.0,A5B3C3_mC44_12_g4i_3i_ij:Ge-Ti-V +mp-1217244,Ti3V3Ge5,-7.1244511368,-0.3923299064,0.1549846764,0.109598315,GGA,Immm,A5B3C3_oI44_71_efgm_ek_hm:Ge-Ti-V,22.0,A5B3C3_oI44_71_efgm_ek_hm:Ge-Ti-V +mp-649084,Sr2B8Ru7,-7.5416641224,-0.3807853663,0.0,-0.1206453612,GGA,P4_2/m,A8B7C2_tP34_84_gik_fjk_j:B-Ru-Sr,34.0,"Invalid WP multiplicities - A8B7C2_tP34_84_2g3i3k_2f3j5k_j:B-Ru-Sr, expected SrB11Ru14 to be Sr2B8Ru7" +mp-1217960,TaBeB,-8.10301709,-0.6774896681,0.0,-0.1104130565,GGA,P-6m2,ABC_hP3_187_a_c_f:B-Be-Ta,3.0,ABC_hP3_187_a_c_f:B-Be-Ta +mp-1246774,Si7NiN10,-8.0464538122,-0.9841031378,0.199571303,0.199571303,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Ni-Si,36.0,A10BC7_mP36_7_10a_a_7a:N-Ni-Si +mp-1245962,SiNiN2,-7.5333789325,-0.5637677925,0.2141923533,0.2141923533,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Ni-Si,16.0,A2BC_oP16_33_2a_a_a:N-Ni-Si +mp-1246007,SiNiN2,-7.4981717411,-0.5285606011,0.2493995447,0.2493995447,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Ni-Si,64.0,A2BC_oP64_61_4c_2c_2c:N-Ni-Si +mp-1246491,SiNiN2,-7.017816255,-0.048205115,0.7297550308,0.7297550308,GGA,P6_3/mmc,A2BC_hP8_194_e_a_c:N-Ni-Si,8.0,A2BC_hP8_194_e_a_c:N-Ni-Si +mp-1245337,Si5(NiN4)2,-7.8255414263,-0.8002865657,0.2211021571,0.2211021571,GGA,Pbca,A8B2C5_oP120_61_8c_2c_5c:N-Ni-Si,120.0,A8B2C5_oP120_61_8c_2c_5c:N-Ni-Si +mp-1216905,U2Si3Pd,-7.7196390283,-0.3798630417,0.0394650127,0.0394650127,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Pd-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Pd-Si-U +mp-21191,USiPd,-7.7913134,-0.49244345,0.0167964013,0.0167964013,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Si-U,12.0,ABC_oP12_62_c_c_c:Pd-Si-U +mp-630265,U3(Si3Pd10)2,-6.4915704331,-0.6286816603000001,0.0,-0.0130345496,GGA,Fm-3m,A20B6C3_cF116_225_fh_e_ac:Pd-Si-U,29.0,"Invalid WP multiplicities - A20B6C3_cF116_225_6f7h_e_ac:Pd-Si-U, expected U(SiPd22)2 to be U3(Si3Pd10)2" +mp-4793,U(SiPd)2,-7.103032842,-0.602670904,0.0,-0.0748583416,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pd-Si-U,5.0,A2B2C_tI10_139_d_e_a:Pd-Si-U +mp-1025550,Ti2GaN,-8.088345285,-1.2994515398,0.0,-0.115131625,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ga-N-Ti,8.0,ABC2_hP8_194_c_a_f:Ga-N-Ti +mp-1096311,Be2VPt,-3.0853226725,2.5731436075,3.04559295,3.04559295,GGA,Immm,A2BC_oI8_71_e_a_b:Be-Pt-V,4.0,A2BC_oI8_71_e_a_b:Be-Pt-V +mp-971926,YErRu2,-7.7256868075,-0.3299380567,0.0249758831,0.0249758831,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Er-Ru-Y +mp-1246880,ReNi2N3,-8.0867101083,0.082337445,0.1535793467,0.1535793467,GGA,C2/c,A3B2C_mC48_15_2e2f_2f_f:N-Ni-Re,24.0,A3B2C_mC48_15_2e2f_2f_f:N-Ni-Re +mp-1245632,ReNiN2,-8.6678996712,0.0565137575,0.1435122704,0.1435122704,GGA,Cmcm,A2BC_oC16_63_f_a_c:N-Ni-Re,8.0,A2BC_oC16_63_f_a_c:N-Ni-Re +mp-1211385,LaZrF7,-7.2310710589,-4.2461754469,0.0,-0.0024419934,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-La-Zr,18.0,A7BC_mP18_4_7a_a_a:F-La-Zr +mp-1192580,LaZr2F11,-7.2482938932,-4.1727455355,0.0,-0.0135986902,GGA,Ibam,A11BC2_oI56_72_cj2k_b_j:F-La-Zr,28.0,A11BC2_oI56_72_cj2k_b_j:F-La-Zr +mp-531991,La6Zr8F47,-7.188201603,-4.1089039121,0.0639985015,0.0639985015,GGA,C2,A47B6C8_mC122_5_a23c_ab2c_4c:F-La-Zr,61.0,"Invalid WP multiplicities - A47B6C8_mC122_5_a46c_ab4c_6c:F-La-Zr, expected La10Zr12F93 to be La6Zr8F47" +mp-1208285,Th5Tl3,-5.5761574156,-0.0565048294,0.0597482369,0.0597482369,GGA,P6_3/mcm,A5B3_hP16_193_dg_g:Th-Tl,16.0,A5B3_hP16_193_dg_g:Th-Tl +mp-1106034,Th3Tl5,-4.4036373781,-0.1467885677,0.0118138927,0.0118138927,GGA,Cmcm,A3B5_oC32_63_ce_cfg:Th-Tl,16.0,A3B5_oC32_63_ce_cfg:Th-Tl +mp-1192586,ThTlF5,-6.5758852204,-3.813900044,0.0,-0.0152206504,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Th-Tl,28.0,A5BC_mP28_14_5e_e_e:F-Th-Tl +mp-1076974,Th2Tl,-5.796621545,-0.0665016628,0.0368343961,0.0368343961,GGA,I4/mcm,A2B_tI12_140_h_a:Th-Tl,6.0,A2B_tI12_140_h_a:Th-Tl +mp-2061,ThTl3,-3.787647755,-0.1622008325,0.0,-0.0643417874,GGA,Pm-3m,AB3_cP4_221_a_c:Th-Tl,4.0,AB3_cP4_221_a_c:Th-Tl +mp-1194755,Th3TlF13,-7.1297918947,-4.2207657492,0.0,-0.0036880934,GGA,Pmc2_1,A13B3C_oP34_26_2a3b4c_bc_a:F-Th-Tl,34.0,A13B3C_oP34_26_2a3b4c_bc_a:F-Th-Tl +mp-29030,ThTl3F7,-5.6811041589,-3.1463641168,0.0,-0.0041337555,GGA,Cmcm,A7BC3_oC88_63_a3cefgh_f_f2g:F-Th-Tl,44.0,A7BC3_oC88_63_a3cefgh_f_f2g:F-Th-Tl +mp-542382,ThTl,-5.0432547867,-0.1550040883,0.0,-0.0375732342,GGA,Pbcm,AB_oP24_57_c2d_c2d:Th-Tl,24.0,AB_oP24_57_c2d_c2d:Th-Tl +mp-1205373,Y6CoBr10,-5.5546230853,-1.9406567456,0.0,-0.0426585317,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Co-Y,17.0,A10BC6_aP17_2_5i_a_3i:Br-Co-Y +mp-1096446,YTaOs2,-6.34784459,3.8469013108,4.1488569869,4.1488569869,GGA,Immm,A2BC_oI8_71_e_a_b:Os-Ta-Y,4.0,A2BC_oI8_71_e_a_b:Os-Ta-Y +mp-1216241,VReMo,-10.91594876,-0.1245876383,0.0621326504,0.0621326504,GGA,Fmm2,ABC_oF12_42_a_a_a:Mo-Re-V,3.0,ABC_oF12_42_a_a_a:Mo-Re-V +mp-1097209,VReMo2,-6.23137002,4.5735633487000005,4.7136035653,4.7136035653,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Re-V,4.0,A2BC_oI8_71_e_a_b:Mo-Re-V +mp-979259,V2ReMo,-10.6404009325,-0.2759035737,0.0,-0.0766571425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mo-Re-V,4.0,ABC2_cF16_225_a_b_c:Mo-Re-V +mp-1093792,VRe2Mo,-6.6616043475,4.54304829,4.6872653659,4.6872653659,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Re-V,4.0,AB2C_oI8_71_a_e_b:Mo-Re-V +mp-22094,Tl2Ru2O7,-6.5705706882,-1.3068513834,0.0,-0.0091493905,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Tl,22.0,A7B2C2_cF88_227_af_d_c:O-Ru-Tl +mp-980038,Tl3Ru,-3.437857175,0.65272582,0.65272582,0.65272582,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ru-Tl,8.0,AB3_hP8_194_c_h:Ru-Tl +mp-1223120,La2UAs3,-7.1185848483,-1.2617882758,0.0211608367,0.0211608367,GGA,Immm,A3B2C_oI12_71_ae_f_c:As-La-U,6.0,A3B2C_oI12_71_ae_f_c:As-La-U +mp-1188648,Y6NiBr10,-5.4886601335,-1.9528220947,0.0,-0.031533277,GGA,P-1,A10BC6_aP17_2_5i_a_3i:Br-Ni-Y,17.0,A10BC6_aP17_2_5i_a_3i:Br-Ni-Y +mp-1097136,Y2TlIn,-2.539026925,1.9727903508,2.4034857425,2.4034857425,GGA,Immm,ABC2_oI8_71_a_b_e:In-Tl-Y,4.0,ABC2_oI8_71_a_b_e:In-Tl-Y +mp-1187770,Y2TlIn,-4.9424476275,-0.4306303517,6.504e-05,6.504e-05,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Tl-Y,4.0,ABC2_cF16_225_a_b_c:In-Tl-Y +mp-978522,SmYIr2,-7.93882593,-0.7233445279,0.0430528062,0.0430528062,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Sm-Y +mp-1245604,MgTeN2,-5.4403524688000005,-0.0862085204,0.4571120712,0.4571120712,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Te,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Te +mp-973053,ScH3,-4.6778054525,-0.5501436425,0.0379117763,0.0379117763,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Sc,4.0,A3B_cF16_225_ac_b:H-Sc +mp-981386,ScH4Pd3,-4.7443363925,-0.3139590531,0.1138327875,0.1138327875,GGA,Pm-3m,A4B3C_cP8_221_ac_d_b:H-Pd-Sc,8.0,A4B3C_cP8_221_ac_d_b:H-Pd-Sc +mp-24237,ScH2,-5.15671429,-0.7840738917000001,0.0,-0.2167373343,GGA,Fm-3m,A2B_cF12_225_c_a:H-Sc,3.0,A2B_cF12_225_c_a:H-Sc +mp-33112,Sc2H5,-4.8405132307,-0.6078605971000001,0.0642027386,0.0642027386,GGA,Pmmn,A5B2_oP14_59_a2e_ab:H-Sc,14.0,"Invalid WP multiplicities - A5B2_oP14_59_2a3e_2a2b:H-Sc, expected ScH2 to be Sc2H5" +mp-1216308,UCrFe,-9.7969696417,0.0078565883,0.0587436175,0.0587436175,GGA,Imma,ABC_oI12_74_a_c_e:Cr-Fe-U,6.0,ABC_oI12_74_a_c_e:Cr-Fe-U +mp-1217610,U24CrFe3,-10.9135545289,0.0170508761,0.0334074212,0.0334074212,GGA,C222,AB3C24_oC56_21_a_bcd_2k5l:Cr-Fe-U,28.0,"Invalid WP multiplicities - AB3C24_oC56_21_a_bcd_3k12l:Cr-Fe-U, expected U54CrFe3 to be U24CrFe3" +mp-979417,DyYCd2,-3.561681785,-0.3319224167,0.0050046225,0.0050046225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Dy-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Dy-Y +mp-1246173,Nb2Pb3N4,-7.3737031225,-0.1863107903,0.4039589557,0.4039589557,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Nb-Pb,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Nb-Pb +mp-1246639,Nb3Pb3N5,-7.9734591873,-0.4167018277,0.3077201333,0.3077201333,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Nb-Pb,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Nb-Pb +mp-1187921,ZnRu2W,-8.31984987,-0.12818014,0.0,-0.0390674361,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-W-Zn,4.0,A2BC_cF16_225_c_a_b:Ru-W-Zn +mp-1246853,Mg3Sc2N4,-6.8087891906,-1.163038295,0.2648043832,0.2648043832,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Mg-N-Sc,18.0,A3B4C2_mC36_15_ef_2f_f:Mg-N-Sc +mp-8583,Ba(PRh)2,-6.450047336,-0.9552081973,0.0,-0.1148226579,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-P-Rh,5.0,AB2C2_tI10_139_a_e_d:Ba-P-Rh +mp-3348,LiBIr,-6.3227439983,-0.5138277258,0.0,-0.2684208487,GGA,Fddd,ABC_oF48_70_e_f_c:B-Ir-Li,12.0,ABC_oF48_70_e_f_c:B-Ir-Li +mp-1211801,Li(BIr)4,-7.2126843833,-0.1037703089,0.2011762794,0.2011762794,GGA,Fddd,A4B4C_oF72_70_h_h_a:B-Ir-Li,,A4B4C_oF72_70_h_h_a:B-Ir-Li +mp-16765,Zr2Te2P,-7.043507716,-1.2844446053,0.0,-0.0375562155,GGA,R-3m,AB2C2_hR15_166_a_c_c:P-Te-Zr,5.0,AB2C2_hR15_166_a_c_c:P-Te-Zr +mp-1215367,Zr5(Te2P)2,-7.2598127882,-1.2472371758,0.0,-0.0104266607,GGA,R-3m,A2B4C5_hR33_166_c_2c_a2c:P-Te-Zr,11.0,"Invalid WP multiplicities - A2B4C5_hR33_166_c_4c_a4c:P-Te-Zr, expected Zr9(Te4P)2 to be Zr5(Te2P)2" +mp-984836,DyB4Ru,-7.4018934362,-0.6354340257000001,0.0,-0.0531429882,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Ru +mp-1202990,Dy(BRu)4,-8.0999482411,-0.4975077874,0.0,-0.060587555,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Dy-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Dy-Ru +mp-3092,DyB2Ru3,-8.10479377,-0.4733307697,0.0,-0.0185748319,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Dy-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Dy-Ru +mp-1189977,DyB2Ru,-7.4162586263,-0.6062653958,0.0,-0.0202714585,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Dy-Ru,16.0,A2BC_oP16_62_d_c_c:B-Dy-Ru +mp-1198707,Dy2B6Ru,-7.1796392139,-0.6724917867,0.0,-0.0617571764,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Dy-Ru,36.0,A6B2C_oP36_55_6h_2g_g:B-Dy-Ru +mp-865517,YZnRh2,-6.23402679,-0.6203191742,0.0211266969,0.0211266969,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Y-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Y-Zn +mp-1207608,YZnRh,-5.7528235667,-0.7226493689,0.0,-0.09180369,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Y-Zn,12.0,ABC_oP12_62_c_c_c:Rh-Y-Zn +mp-1096149,Y2ZnRh,-3.5529668775000003,1.8362815492,2.445785847,2.445785847,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Rh-Y-Zn +mp-1187730,Y2ZnRh,-5.98769299,-0.5984445633000001,0.0110597345,0.0110597345,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Rh-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Rh-Y-Zn +mp-1219501,RuSeS,-6.4305637933,-0.7949758318,0.0173535975,0.0173535975,GGA,P2_13,ABC_cP12_198_a_a_a:Ru-S-Se,12.0,ABC_cP12_198_a_a_a:Ru-S-Se +mp-1219515,Ru2SeS3,-6.5666305425,-0.8242861828,0.0244269258,0.0244269258,GGA,P2_1,A2B3C_mP12_4_2a_3a_a:Ru-S-Se,12.0,A2B3C_mP12_4_2a_3a_a:Ru-S-Se +mp-985298,Ce2HfS5,-7.494312675,-2.1811105907,0.0,-0.0086865362,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Ce-Hf-S,32.0,A2BC5_oP32_62_d_c_3cd:Ce-Hf-S +mp-21227,U3TiSb5,-7.4416133706,-0.5066435654,0.0,-0.0873940778,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Sb-Ti-U,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d2g_b_g:Sb-Ti-U, expected U3TiSb10 to be U3TiSb5" +mp-1216593,UTi,-9.451305115,0.1421458983,0.2005484892,0.2005484892,GGA,Cmmm,AB_oC4_65_a_c:Ti-U,2.0,AB_oC4_65_a_c:Ti-U +mp-1187780,UTi,-9.444211615,0.1492393983,0.2076419892,0.2076419892,GGA,P-6m2,AB_hP2_187_a_d:Ti-U,2.0,AB_hP2_187_a_d:Ti-U +mp-1709,U2Ti,-10.2373074667,-0.0778701211,0.0,-0.0778701211,GGA,P6/mmm,AB2_hP3_191_a_d:Ti-U,3.0,AB2_hP3_191_a_d:Ti-U +mp-1187772,U3Ti,-10.1706242387,0.2718062729,0.3302088638,0.3302088638,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ti-U,8.0,AB3_hP8_194_c_h:Ti-U +mp-1219327,Si5GeW10,-10.1846496206,-0.1014671016,0.0607189359,0.0607189359,GGA,I422,AB5C10_tI32_97_a_bj_ck:Ge-Si-W,16.0,AB5C10_tI32_97_a_bj_ck:Ge-Si-W +mp-1206991,GaNi3C,-5.994449438,-0.075015127,0.1577100585,0.1577100585,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Ni,5.0,ABC3_cP5_221_b_a_c:C-Ga-Ni +mp-13235,Ho5Si3B,-5.61214843,-0.5157717399,0.1606936391,0.1606936391,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Ho-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Ho-Si +mp-1212227,Ho5(SiB4)2,-6.492610341,-0.6794227026,0.0,-0.0340810932,GGA,P4/mbm,A8B5C2_tP30_127_egi_bk_h:B-Ho-Si,30.0,A8B5C2_tP30_127_egi_bk_h:B-Ho-Si +mp-31455,VSbRu,-7.7301277967,-0.2343578467,0.0886077983,0.0886077983,GGA,F-43m,ABC_cF12_216_c_a_b:Ru-Sb-V,3.0,ABC_cF12_216_c_a_b:Ru-Sb-V +mp-1096721,YZrTc2,-5.58711191,3.3467504983,3.5829079265,3.5829079265,GGA,Immm,A2BC_oI8_71_e_a_b:Tc-Y-Zr,4.0,A2BC_oI8_71_e_a_b:Tc-Y-Zr +mp-1208876,SmHfF7,-7.4307302417,-4.3133826931,0.0,-0.0444009963,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Sm,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Sm +mp-1246268,NaI,-2.76466894,-1.3667231183,0.11824017,-1.3667231183,GGA,Pmma,AB_oP4_51_e_f:I-Na,4.0,AB_oP4_51_e_f:I-Na +mp-723629,NaI,-2.7645009,-1.3665550783,0.11840821,-1.3665550783,GGA,I4_1/amd,AB_tI8_141_a_b:I-Na,4.0,AB_tI8_141_a_b:I-Na +mp-23268,NaI,-2.88290911,-1.4849632883,0.0,-1.4849632883,GGA,Fm-3m,AB_cF8_225_a_b:I-Na,2.0,AB_cF8_225_a_b:I-Na +mp-675237,Na3GdI6,-4.2820685130000005,-1.5936788910000002,0.0,-0.6753688733000001,GGA,C2,AB6C3_mC20_5_a_3c_2ab:Gd-I-Na,10.0,"Invalid WP multiplicities - AB6C3_mC20_5_a_6c_2ab:Gd-I-Na, expected Na3GdI12 to be Na3GdI6" +mp-1184423,Gd3I,-11.1304236025,-0.204990335,0.0,-0.204990335,GGA,Pm-3m,A3B_cP4_221_c_a:Gd-I,4.0,A3B_cP4_221_c_a:Gd-I +mp-1216280,UCrCo,-9.3863095417,-0.03538445,0.1434245558,0.1434245558,GGA,Imma,ABC_oI12_74_a_c_e:Co-Cr-U,6.0,ABC_oI12_74_a_c_e:Co-Cr-U +mp-1096731,Ta2VTc,-6.4142408425,4.3757842262,4.66373109,4.66373109,GGA,Immm,A2BC_oI8_71_e_a_b:Ta-Tc-V,4.0,A2BC_oI8_71_e_a_b:Ta-Tc-V +mp-1093944,TaVTc2,-6.45826539,3.9574750075,4.3925197475,4.3925197475,GGA,Immm,AB2C_oI8_71_a_e_b:Ta-Tc-V,4.0,AB2C_oI8_71_a_e_b:Ta-Tc-V +mp-866114,HfTc2W,-11.2570991125,-0.347949825,0.0,-0.0763929269,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hf-Tc-W,4.0,AB2C_cF16_225_a_c_b:Hf-Tc-W +mp-1226534,CeNdN2,-8.4749253925,-1.6313687831,0.0,-0.0243816825,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-N-Nd,4.0,AB2C_hR12_166_a_c_b:Ce-N-Nd +mp-997036,CdAuO2,-4.4215644075,-0.8990271119000001,0.0,-0.0252629358,GGA,P-1,ABC2_aP8_2_ae_i_2i:Au-Cd-O,8.0,ABC2_aP8_2_ae_i_2i:Au-Cd-O +mp-997037,CdAuO2,-4.40142867,-0.8788913744,0.0201357375,-0.0051271983,GGA,Cmmm,ABC2_oC16_65_ab_f_gh:Au-Cd-O,8.0,ABC2_oC16_65_ab_f_gh:Au-Cd-O +mp-1096290,YRhAu2,-3.3193703975,1.7752653483,2.4383927361,2.4383927361,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Rh-Y,4.0,A2BC_oI8_71_e_a_b:Au-Rh-Y +mp-1096657,Y2RhAu,-4.3711788,1.5216042242,2.390444315,2.390444315,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Rh-Y,4.0,ABC2_oI8_71_a_b_e:Au-Rh-Y +mp-1217441,Tc4N3,-9.4022505386,0.0908981121,0.2864706255,0.2864706255,GGA,R-3m,A3B4_hR21_166_ac_2c:N-Tc,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:N-Tc, expected Tc4N5 to be Tc4N3" +mp-1019316,Tc2N,-9.9118666117,-0.22594234,0.0,-0.0297791072,GGA,P6_3/mmc,AB2_hP6_194_c_f:N-Tc,6.0,AB2_hP6_194_c_f:N-Tc +mp-1205850,Tc(Br3N)2,-3.1660441778,0.8730445750000001,1.3070960736,1.3070960736,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Tc,9.0,A6B2C_cF36_225_e_c_a:Br-N-Tc +mp-1062817,TcN2,-8.39826604,0.6129435583,0.7281403206,0.7281403206,GGA,Fm-3m,A2B_cF12_225_c_a:N-Tc,3.0,A2B_cF12_225_c_a:N-Tc +mp-999086,TcN,-9.16676455,0.181802385,0.3545975283,0.35125914,GGA,P4_2/mmc,AB_tP4_131_e_c:N-Tc,4.0,AB_tP4_131_e_c:N-Tc +mp-998900,TcN,-9.190845145,0.15772179,0.3305169333,0.327178545,GGA,P-6m2,AB_hP2_187_a_d:N-Tc,2.0,AB_hP2_187_a_d:N-Tc +mp-999117,TcN,-9.38763804,-0.039071105,0.1337240383,0.13038565,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Tc,4.0,AB_hP4_194_c_a:N-Tc +mp-1002181,TcN,-9.42664341,-0.078076475,0.0947186683,0.09138028,GGA,F-43m,AB_cF8_216_a_c:N-Tc,2.0,AB_cF8_216_a_c:N-Tc +mp-1019319,TcN,-9.5213620783,-0.1727951433,0.0,-0.0033383883,GGA,Pm-3m,AB_cP6_221_c_d:N-Tc,6.0,AB_cP6_221_c_d:N-Tc +mp-1002117,TcN,-8.756700585,0.59186635,0.7646614933,0.761323105,GGA,Pm-3m,AB_cP2_221_a_b:N-Tc,2.0,AB_cP2_221_a_b:N-Tc +mp-1002182,TcN,-8.97635844,0.372208495,0.5450036383,0.54166525,GGA,Fm-3m,AB_cF8_225_a_b:N-Tc,2.0,AB_cF8_225_a_b:N-Tc +mp-1017987,Tc3N,-10.0624502175,-0.2078472775,0.0,-0.0383905225,GGA,P-6m2,AB3_hP4_187_a_bh:N-Tc,4.0,AB3_hP4_187_a_bh:N-Tc +mp-1246885,Sr(PbN)2,-5.412829614,-0.2552741253,0.185110246,0.185110246,GGA,P-3m1,A2B2C_hP5_164_d_d_a:N-Pb-Sr,5.0,A2B2C_hP5_164_d_d_a:N-Pb-Sr +mp-1247458,Sr8PbN6,-4.8911003782,-0.4079294284,0.2674791511,0.2674791511,GGA,Cm,A6BC8_mC90_8_2a8b_ab_4a10b:N-Pb-Sr,45.0,"Invalid WP multiplicities - A6BC8_mC90_8_2a15b_ab_4a18b:N-Pb-Sr, expected Sr40Pb3N32 to be Sr8PbN6" +mp-1246928,Sr7PbN6,-5.2307705904,-0.548051248,0.1333464379,0.1333464379,GGA,Ibam,A6BC7_oI56_72_jk_a_bjk:N-Pb-Sr,28.0,A6BC7_oI56_72_jk_a_bjk:N-Pb-Sr +mp-1247455,Sr5(PbN3)2,-5.3829512262,-0.3143565372,0.36147691,0.36147691,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Pb-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Pb-Sr +mp-1246333,Sr2PbN2,-5.2792164825,-0.5262917172,0.1320995785,0.1320995785,GGA,Cmce,A2BC2_oC40_64_2f_f_2f:N-Pb-Sr,20.0,A2BC2_oC40_64_2f_f_2f:N-Pb-Sr +mp-1203591,TcI4,-3.586729334,-0.335908465,0.0,-0.335908465,GGA,P2_1/c,A4B_mP40_14_8e_2e:I-Tc,40.0,A4B_mP40_14_8e_2e:I-Tc +mp-1206836,Rb2TcI6,-3.3794875789,-1.02816478,0.0,-0.0396336417,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:I-Rb-Tc,9.0,A6B2C_cF36_225_e_c_a:I-Rb-Tc +mp-1191788,Sm2Co17H3,-6.5105624545000005,-0.1261645945,0.0456818501,0.0456818501,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Co-H-Sm,22.0,A17B3C2_hR66_166_cdfh_e_c:Co-H-Sm +mp-28070,Rb2TeI6,-2.6128187611,-1.0634218569,0.0,-0.0397561169,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:I-Rb-Te,18.0,A6B2C_tP18_128_eh_d_a:I-Rb-Te +mp-541491,U2Ge4Mo3,-8.4215387489,-0.2424407744,0.0,-0.0230584729,GGA,P2_1/c,A4B3C2_mP18_14_2e_ae_e:Ge-Mo-U,18.0,A4B3C2_mP18_14_2e_ae_e:Ge-Mo-U +mp-1208300,TbPPd,-6.34043956,-1.2645894211,0.0,-0.036643259,GGA,Pnma,ABC_oP12_62_c_c_c:P-Pd-Tb,12.0,ABC_oP12_62_c_c_c:P-Pd-Tb +mp-1206776,Tb(PPd)2,-6.103735964,-0.9395890173,0.0043821873,0.0043821873,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Tb,5.0,A2B2C_tI10_139_e_d_a:P-Pd-Tb +mp-1208495,Tb3(P3Pd10)2,-5.9001749252,-0.7284318376000001,0.0,-0.0398200033,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:P-Pd-Tb,29.0,A6B20C3_cF116_225_e_fh_ac:P-Pd-Tb +mp-569431,Tb3P4Pd7,-6.1294393364,-0.9997621224,0.0,-0.014241849,GGA,C2/m,A4B7C3_mC28_12_2i_a3i_ci:P-Pd-Tb,14.0,"Invalid WP multiplicities - A4B7C3_mC28_12_2i_a5i_ci:P-Pd-Tb, expected Tb3P4Pd11 to be Tb3P4Pd7" +mp-1207848,Y3(GeRh)2,-7.1236038332,-0.9273060061,0.0,-0.0002210827,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Y,28.0,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Y +mp-4889,Y(GeRh)2,-6.97536971,-0.8871411973000001,0.0,-0.078838394,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Y,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Y +mp-10214,Y2GeRh3,-7.48492063,-0.8767716814000001,0.0,-0.0186184128,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ge-Rh-Y,6.0,AB3C2_hR18_166_a_d_c:Ge-Rh-Y +mp-1095465,YGeRh,-7.1350208267,-0.9837518806,0.0,-0.0731812115,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Y,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Y +mp-1198948,Y5(Ge5Rh2)2,-6.4985124434,-0.8132563594000001,0.0,-0.0288431015,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Y,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Y +mp-1207662,YGeRh2,-7.3157568533,-0.8612281762,0.0,-0.0184606825,GGA,P6_3/mmc,AB2C_hP24_194_abc_k_df:Ge-Rh-Y,24.0,AB2C_hP24_194_abc_k_df:Ge-Rh-Y +mp-1195758,Y3Ge13Rh4,-5.9910999852,-0.5432996385000001,0.0166944568,0.0166944568,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Y,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Y +mp-1192507,Y(GeRh2)2,-7.2056017129,-0.7527790981,0.0,-0.0643360449,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ge-Rh-Y,28.0,A2B4C_oP28_62_2c_4c_c:Ge-Rh-Y +mp-1106022,Y2Ge5Rh3,-6.6009417925000005,-0.7868412813000001,0.0,-0.0118110691,GGA,C2/c,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Y,20.0,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Y +mp-1072199,PuB2Ir3,-9.5734244517,-0.5497703831,0.0,-0.2819805561,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Pu,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Pu +mp-1188783,Pu(BIr)4,-8.7325856228,-0.2504587191,0.1716940447,0.1716940447,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Pu,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Pu +mp-1188450,B2Mo2Os,-9.6085163425,-0.3530261042,0.0487617515,0.0487617515,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:B-Mo-Os,20.0,A2B2C_oP20_58_2g_2g_g:B-Mo-Os +mp-982869,PmYAl2,-5.0686555175,-0.3916142435,0.0068882969,0.0068882969,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Pm-Y,4.0,A2BC_cF16_225_c_a_b:Al-Pm-Y +mp-6939,Sr(BIr)2,-7.173972958,-0.628943887,0.0,-0.3063592497,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Sr,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Sr +mp-5557,ThB4Mo,-8.072624490799999,-0.5764452503,0.0,-0.0206139654,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Mo-Th,12.0,A4BC_oC24_65_gip_h_j:B-Mo-Th +mp-1227448,Ca(B2Pt3)2,-6.3145215227,-0.3917972606,0.0,-0.0266581843,GGA,P-3m1,A4BC6_hP11_164_2d_a_i:B-Ca-Pt,11.0,A4BC6_hP11_164_2d_a_i:B-Ca-Pt +mp-1096558,BeCo2B,-3.474364825,2.6844952315,3.0384716988,3.0384716988,GGA,Immm,ABC2_oI8_71_a_b_e:B-Be-Co,4.0,ABC2_oI8_71_a_b_e:B-Be-Co +mp-7113,CrAuS2,-6.060710885,-0.7607535841,0.0,-0.04965292,GGA,R-3m,ABC2_hR12_166_a_b_c:Au-Cr-S,4.0,ABC2_hR12_166_a_b_c:Au-Cr-S +mp-30520,Tl2S5,-4.1313327257,-0.5016847789000001,0.0,-0.2279643689,GGA,P2_12_12_1,A5B2_oP28_19_5a_2a:S-Tl,28.0,A5B2_oP28_19_5a_2a:S-Tl +mp-1206297,Tl2S3,-2.818356837,0.6085703418,1.1131451772,1.1131451772,GGA,Cmmm,A3B2_oC20_65_kp_ade:S-Tl,10.0,A3B2_oC20_65_kp_ade:S-Tl +mp-28805,Tl2Pt5S6,-5.2699628335,-0.6622972877000001,0.0,-0.0204997875,GGA,P2_1/c,A5B6C2_mP26_14_a2e_3e_e:Pt-S-Tl,26.0,"Invalid WP multiplicities - A5B6C2_mP26_14_a3e_4e_e:Pt-S-Tl, expected Tl2Pt7S8 to be Tl2Pt5S6" +mp-9272,TlPt2S3,-5.1793568433,-0.6936469455000001,0.0,-0.0408415103,GGA,P-3m1,A2B3C_hP12_164_ae_i_d:Pt-S-Tl,12.0,A2B3C_hP12_164_ae_i_d:Pt-S-Tl +mp-1187792,Tl2S,-3.4636997511,-0.5097876977,0.001530603,-0.1210645952,GGA,P3,AB2_hP9_143_abc_2d:S-Tl,9.0,AB2_hP9_157_ab_2c:S-Tl +mp-556516,Tl2S,-3.4652303541,-0.5113183007000001,0.0,-0.1225951981,GGA,R3,AB2_hR81_146_3a2b_6b:S-Tl,27.0,"Invalid WP multiplicities - AB2_hR81_146_3a6b_17b:S-Tl, expected Tl17S7 to be Tl2S" +mp-1187544,Tl3S,-3.036101175,-0.2300063483,0.1534823772,0.1534823772,GGA,I4/mmm,AB3_tI8_139_a_bd:S-Tl,4.0,AB3_tI8_139_a_bd:S-Tl +mp-1187552,Tl3S,-3.0300498262,-0.2239549995,0.159533726,0.159533726,GGA,P6_3/mmc,AB3_hP8_194_c_h:S-Tl,8.0,AB3_hP8_194_c_h:S-Tl +mp-1187543,TlS3,-3.65832096,0.0346772268,0.4736514084,0.4736514084,GGA,P6_3/mmc,A3B_hP8_194_h_c:S-Tl,8.0,A3B_hP8_194_h_c:S-Tl +mp-561066,TlS,-3.7285572242,-0.4790107174,0.0280929174,0.0280929174,GGA,P4_12_12,AB_tP64_92_2a3b_4b:S-Tl,64.0,"Invalid WP multiplicities - AB_tP64_92_7a19b_23b:S-Tl, expected Tl46S45 to be TlS" +mp-322,TlS,-3.7051544887,-0.455607982,0.0514956529,0.0514956529,GGA,I4/mcm,AB_tI16_140_h_ab:S-Tl,8.0,AB_tI16_140_h_ab:S-Tl +mp-998912,TlS,-3.6947713425,-0.4452248357,0.0618787992,0.0618787992,GGA,R-3m,AB_hR12_166_c_ab:S-Tl,4.0,AB_hR12_166_c_ab:S-Tl +mp-10632,TlS,-3.44802075,-0.1984742432,0.3086293917,0.3086293917,GGA,Pm-3m,AB_cP2_221_a_b:S-Tl,2.0,AB_cP2_221_a_b:S-Tl +mp-755169,Tl6S,-2.74642013,-0.1303760233,0.0887603913,0.0887603913,GGA,P31m,AB6_hP7_157_a_2c:S-Tl,7.0,"Invalid WP multiplicities - AB6_hP7_157_a_5c:S-Tl, expected Tl15S to be Tl6S" +mp-2753,Tl4S3,-3.6226328729,-0.4997868461,0.0091230741,0.0091230741,GGA,P2_1/c,A3B4_mP28_14_3e_4e:S-Tl,28.0,A3B4_mP28_14_3e_4e:S-Tl +mp-1201342,Nd4(LuS2)11,-6.6585743162,-2.3395218156,0.0260569097,0.0260569097,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Lu-Nd-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Lu-Nd-S +mp-1080801,NdLuS3,-6.714395801,-2.3747062904,0.0,-0.0047776428,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Lu-Nd-S,10.0,ABC3_oC20_63_a_c_cf:Lu-Nd-S +mp-1205870,NdLuS3,-6.577354294,-2.2376647834,0.137041507,0.1322638642,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Lu-Nd-S,10.0,ABC3_oC20_63_c_a_cf:Lu-Nd-S +mp-1189434,Nd(LuS2)3,-6.689300218,-2.3743303986,0.0,-0.0124624455,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Lu-Nd-S,20.0,A3BC6_mP20_11_3e_e_6e:Lu-Nd-S +mp-1215352,Zr5V5Si6,-8.2049820163,-0.6606106613,0.077119585,0.077119585,GGA,Amm2,A6B5C5_oC32_38_abde_af_bde:Si-V-Zr,16.0,A6B5C5_oC32_38_abde_af_bde:Si-V-Zr +mp-1215610,Zr2V3Si,-8.5763475933,-0.2809413433,0.0966457983,0.0966457983,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Si-V-Zr,12.0,AB3C2_hP12_194_a_h_f:Si-V-Zr +mp-5541,ZrVSi,-8.417853705,-0.7322121283,0.0,-0.0594568456,GGA,P4/nmm,ABC_tP6_129_c_a_c:Si-V-Zr,6.0,ABC_tP6_129_c_a_c:Si-V-Zr +mp-30718,K5Hg7,-0.9010753988,-0.2612622912,0.0031537373,0.0031537373,GGA,Pbcm,A7B5_oP48_57_c3e_5d:Hg-K,48.0,A7B5_oP48_57_c3e_5d:Hg-K +mp-11462,KHg,-0.9550295438,-0.2479898878,0.0,-0.024050781,GGA,P-1,AB_aP8_2_2i_2i:Hg-K,8.0,AB_aP8_2_2i_2i:Hg-K +mp-1193208,KHg6,-0.5718793999999999,-0.1529535233,0.0,-0.013933684,GGA,Pnma,A6B_oP28_62_6c_c:Hg-K,28.0,A6B_oP28_62_6c_c:Hg-K +mp-983365,K3Hg,-0.9650776725,-0.056358371,0.0676365729,0.0676365729,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-K,4.0,AB3_tI8_139_a_bd:Hg-K +mp-983388,K3Hg,-0.969421415,-0.0607021135,0.0632928304,0.0632928304,GGA,Fm-3m,AB3_cF16_225_a_bc:Hg-K,4.0,AB3_cF16_225_a_bc:Hg-K +mp-1224497,K15Si92,-4.7704594517,0.0499633798,0.058270785,0.058270785,GGA,Pmmm,A15B92_oP107_47_dikm2nv_5A2oqr2u2vwx2y3z:K-Si,107.0,"Invalid WP multiplicities - A15B92_oP107_47_d2i2km4n2v_27A4o2q2r8u8v4w4x7y9z:K-Si, expected K27Si392 to be K15Si92" +mp-11028,K3Hg11,-0.6795674114,-0.2030187789,0.0054268666,0.0054268666,GGA,Immm,A11B3_oI28_71_bf2n_ag:Hg-K,14.0,"Invalid WP multiplicities - A11B3_oI28_71_bf3n_ag:Hg-K, expected KHg5 to be K3Hg11" +mp-631408,KSi2Hg,-2.5069215725,0.5592572705000001,0.6832522144000001,0.6832522144000001,GGA,F-43m,ABC2_cF16_216_a_c_bd:Hg-K-Si,4.0,ABC2_cF16_216_a_c_bd:Hg-K-Si +mp-973528,K3Si,-1.8705066125,0.3186221052,0.3334369779,0.3334369779,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Si,4.0,A3B_cF16_225_ac_b:K-Si +mp-31473,K2Hg7,-0.6975625978000001,-0.2146114368,0.0,-0.0064044319,GGA,P-3m1,A7B2_hP9_164_ai_d:Hg-K,9.0,A7B2_hP9_164_ai_d:Hg-K +mp-30717,KHg2,-0.8534287283,-0.2808421693,0.0,-0.0395731014,GGA,Imma,A2B_oI12_74_h_e:Hg-K,6.0,A2B_oI12_74_h_e:Hg-K +mp-1201508,KSi,-3.2815853206,-0.0137268321,0.0159029131,-0.0137268321,GGA,I4_1/acd,AB_tI64_142_ef_g:K-Si,32.0,AB_tI64_142_ef_g:K-Si +mp-1217,KSi,-3.2974882338,-0.0296297453,0.0,-0.0296297453,GGA,P-43n,AB_cP64_218_ei_ei:K-Si,64.0,"Invalid WP multiplicities - AB_cP64_218_ei_2e3i:K-Si, expected K4Si11 to be KSi" +mp-1058944,KSi,-2.055919315,1.2119391735,1.2415689188,1.2119391735,GGA,Fm-3m,AB_cF8_225_a_b:K-Si,2.0,AB_cF8_225_a_b:K-Si +mp-1185042,KHg3,-0.7204758800000001,-0.2151158695,0.0160532504,0.0160532504,GGA,I4/mmm,A3B_tI8_139_ad_b:Hg-K,4.0,A3B_tI8_139_ad_b:Hg-K +mp-1185099,KHg3,-0.7253070838,-0.2199470732,0.0112220467,0.0112220467,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-K,8.0,A3B_hP8_194_h_c:Hg-K +mp-1185041,KHg3,-0.7153418850000001,-0.2099818745,0.0211872454,0.0211872454,GGA,Pm-3m,A3B_cP4_221_c_a:Hg-K,4.0,A3B_cP4_221_c_a:Hg-K +mp-1184994,KHg3,-0.716033735,-0.2106737245,0.0204953954,0.0204953954,GGA,Fm-3m,A3B_cF16_225_ac_b:Hg-K,4.0,A3B_cF16_225_ac_b:Hg-K +mp-1224131,K7Hg31,-0.6287337816,-0.176447362,0.0086331794,0.0086331794,GGA,P-6m2,A31B7_hP38_187_ghkl3n_acik:Hg-K,38.0,"Invalid WP multiplicities - A31B7_hP38_187_2ghkl4n_acik:Hg-K, expected K7Hg39 to be K7Hg31" +mp-531,K4Si23,-4.7379059169,0.0481648416,0.0569440254,0.0569440254,GGA,Pm-3n,A4B23_cP54_223_ac_dik:K-Si,54.0,A4B23_cP54_223_ac_dik:K-Si +mp-11952,KHg11,-0.4532330547,-0.0823261412,0.0068967474,0.0068967474,GGA,Pm-3m,A11B_cP36_221_agij_c:Hg-K,36.0,"Invalid WP multiplicities - A11B_cP36_221_a2gij_c:Hg-K, expected K3Hg41 to be KHg11" +mp-1224072,In2Ni6C,-5.5461036667,-0.0557866631,0.0218818614,0.0218818614,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:C-In-Ni,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:C-In-Ni, expected In2Ni10C to be In2Ni6C" +mp-1078248,Gd2Cr2C3,-11.0009525757,-0.2660474475,0.0,-0.0848709982,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Gd,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Gd +mp-1186329,NpRuO3,-9.274044056,-1.861594385,0.7717826082,0.7717826082,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Ru,5.0,AB3C_cP5_221_a_c_b:Np-O-Ru +mp-1216696,UGa2Cu3,-4.857023045,0.0838472992,0.2010275326,0.2010275326,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Cu-Ga-U,6.0,A3B2C_hP6_191_g_c_a:Cu-Ga-U +mp-1216947,U2Ga3Cu,-6.09367005,-0.1326175904,0.031302195,0.031302195,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-U,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-U +mp-1094035,UGaCu,-6.2531060917,-0.1135351908,0.0014699683,-0.0005076739,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Ga-U,6.0,ABC_hP6_194_c_d_a:Cu-Ga-U +mp-1077802,UGaCu,-6.25457606,-0.1150051592,0.0,-0.0019776422,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ga-U,6.0,ABC_hP6_194_c_d_a:Cu-Ga-U +mp-1216933,U3(Ga2Cu)4,-5.0794734347,-0.1130851087,0.062866198,0.062866198,GGA,I-4m2,A4B8C3_tI30_119_abe_e3f_cf:Cu-Ga-U,15.0,"Invalid WP multiplicities - A4B8C3_tI30_119_abe_e6f_cf:Cu-Ga-U, expected U3(Ga7Cu2)2 to be U3(Ga2Cu)4" +mp-1217218,U2Ga5Cu3,-5.10449735,-0.1024053357,0.0636782896,0.0636782896,GGA,P4mm,A3B5C2_tP10_99_a2b_a2c_ab:Cu-Ga-U,10.0,"Invalid WP multiplicities - A3B5C2_tP10_99_a2b_a4c_ab:Cu-Ga-U, expected U2(Ga3Cu)3 to be U2Ga5Cu3" +mp-1216918,U(GaCu3)2,-4.6422693333,0.0180464528,0.1022118789,0.1022118789,GGA,R3m,A6B2C_hR54_160_2bc_ab_2a:Cu-Ga-U,18.0,A6B2C_hR54_160_2bc_ab_2a:Cu-Ga-U +mp-1206472,K2TcBr6,-3.8990679167,-1.4657782701,0.0,-0.1114437886,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Tc,9.0,A6B2C_cF36_225_e_c_a:Br-K-Tc +mp-1189582,Y5Ni2Bi,-6.4318996325,-0.4652598754,0.0075083072,0.0075083072,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Ni-Y,16.0,AB2C5_tI32_140_a_h_cl:Bi-Ni-Y +mp-30460,YNiBi,-6.0512807433,-0.6889151022000001,0.0,-0.0688925667,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Y,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Y +mp-1093612,Y2IrAu,-4.6115978475,1.6497167542,2.5027153375,2.5027153375,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Ir-Y,4.0,ABC2_oI8_71_a_b_e:Au-Ir-Y +mp-1187705,Y2IrAu,-7.0856697325,-0.8243551308,0.0286434525,0.0286434525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ir-Y,4.0,ABC2_cF16_225_a_b_c:Au-Ir-Y +mp-1247299,Ba2CdN2,-4.683615842,-0.396849944,0.185994141,0.185994141,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Cd-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Cd-N +mp-972528,SmYAg2,-4.52312533,-0.3105830162,0.0,-0.007101375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Sm-Y +mp-1096707,Y2HgPt,-3.3046849975,1.5222539804,2.4085507975,2.4085507975,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Pt-Y +mp-1216819,TmUTe6,-5.3424378913,-1.0140527921,0.0017759556,0.0017759556,GGA,Amm2,A6BC_oC16_38_3a3b_a_b:Te-Tm-U,8.0,A6BC_oC16_38_3a3b_a_b:Te-Tm-U +mp-1187774,TmU3,-9.0740902075,0.5134261558000001,0.5134261558000001,0.5134261558000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:Tm-U,8.0,AB3_hP8_194_c_h:Tm-U +mp-1216631,TmUTe4,-5.9213912567,-1.1979797556,9.10973e-05,9.10973e-05,GGA,Imm2,A4BC_oI12_44_2bc_a_a:Te-Tm-U,6.0,A4BC_oI12_44_2bc_a_a:Te-Tm-U +mp-1210981,La3PBr3,-5.5753458507,-2.0210017348,0.0,-0.0461654506,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-La-P,28.0,A3B3C_cI56_214_h_g_a:Br-La-P +mp-570988,La2PBr2,-5.773585478,-2.0953108027,0.0,-0.0710440553,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Br-La-P,5.0,A2B2C_hP5_164_d_d_a:Br-La-P +mp-1208086,Tm3(P3Pd10)2,-5.8906767866,-0.7353334241,0.0,-0.0423447574,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:P-Pd-Tm,29.0,A6B20C3_cF116_225_e_fh_ac:P-Pd-Tm +mp-1207674,TmPPd,-6.29613114,-1.27312456,0.0,-0.0525712487,GGA,Pnma,ABC_oP12_62_c_c_c:P-Pd-Tm,12.0,ABC_oP12_62_c_c_c:P-Pd-Tm +mp-1225469,Dy5P12Ir19,-7.9159779697,-0.8069831447,0.0,-0.0919571133,GGA,P-62m,A5B19C12_hP36_189_cg_afgjk_2fk:Dy-Ir-P,36.0,A5B19C12_hP36_189_cg_afgjk_2fk:Dy-Ir-P +mp-1097675,BePRu2,-4.0950770275,2.8303030854,3.2490887394,3.2490887394,GGA,Immm,ABC2_oI8_71_a_b_e:Be-P-Ru,4.0,ABC2_oI8_71_a_b_e:Be-P-Ru +mp-1105649,YbB2Os,-6.9122368825,-0.3807970696,0.0,-0.0230334828,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Yb,,A2BC_oP16_62_d_c_c:B-Os-Yb +mp-865902,YbB4Os,-7.0356170033,-0.4548598711,0.0,-0.056117905,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Os-Yb,,A4BC_oP24_55_4h_g_g:B-Os-Yb +mp-1198720,Yb2B6Os,-6.4460586064,-0.4035103158,0.0300813528,0.0300813528,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-Yb,,A6BC2_oP36_55_6h_g_2g:B-Os-Yb +mp-14445,Ca(BIr)2,-7.290340842,-0.6820904857,0.0,-0.28636427,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Ca-Ir,10.0,A2BC2_oF40_70_e_a_f:B-Ca-Ir +mp-1193562,Hf9Re4B,-10.7749850707,-0.3412563721,0.0,-0.0159837992,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:B-Hf-Re,28.0,AB9C4_hP28_194_c_hk_ah:B-Hf-Re +mp-1181755,Dy5Ge3B,-5.4837944456,-0.6413044971,0.1317028076,0.1317028076,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Dy-Ge,18.0,AB5C3_hP18_193_b_dg_g:B-Dy-Ge +mp-979435,YMg2Sc,-4.0689853975,-0.0691103179,0.0096697144,0.0096697144,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Sc-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Sc-Y +mp-1096174,YZn2Cd,-1.034130925,1.4430810983,1.7917921004,1.7917921004,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Cd-Y-Zn +mp-1095768,Y2ZnCd,-1.6954734375,2.0834204617,2.4446800825,2.4446800825,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Y-Zn +mp-27697,ThI4,-4.2415984545,-1.5801337245,0.0,-0.356165998,GGA,P2_1/c,A4B_mP20_14_4e_e:I-Th,20.0,A4B_mP20_14_4e_e:I-Th +mp-28815,ThSnI6,-3.7917343762,-1.2587808506,0.0207454732,0.0207454732,GGA,P-31c,A6BC_hP16_163_i_b_c:I-Sn-Th,16.0,A6BC_hP16_163_i_b_c:I-Sn-Th +mp-540904,ThI3,-4.4884489831,-1.5299596581,0.0,-0.0352090306,GGA,Cccm,A3B_oC64_66_kl2m_acl:I-Th,32.0,A3B_oC64_66_kl2m_acl:I-Th +mp-27652,ThI2,-4.8059757825,-1.3524454658,0.0075186747,0.0075186747,GGA,P6_3/mmc,A2B_hP12_194_ef_ac:I-Th,12.0,A2B_hP12_194_ef_ac:I-Th +mp-1247381,Li3AuN2,-4.3423702258,-0.0634301508,0.4036304692,0.4036304692,GGA,I4_1/amd,AB3C2_tI48_141_e_eg_h:Au-Li-N,24.0,AB3C2_tI48_141_e_eg_h:Au-Li-N +mp-1246686,Li3AuN2,-4.2670748138,0.0118652612,0.4789258812,0.4789258812,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Au-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Au-Li-N +mp-1187084,SmPu3,-11.6296246675,0.2509006137,0.2509006137,0.2509006137,GGA,I4/mmm,A3B_tI8_139_ad_b:Pu-Sm,4.0,A3B_tI8_139_ad_b:Pu-Sm +mp-1187094,SmPu,-9.301927665,0.1912845675,0.1912845675,0.1912845675,GGA,P-6m2,AB_hP2_187_a_d:Pu-Sm,2.0,AB_hP2_187_a_d:Pu-Sm +mp-1219402,Sm3Pu,-7.014444625,0.0914545587,0.0914545587,0.0914545587,GGA,P-6m2,AB3_hP4_187_a_di:Pu-Sm,4.0,AB3_hP4_187_a_di:Pu-Sm +mp-981250,SmPuO3,-9.709650824,-2.9443527043,0.7339322471,0.7339322471,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pu-Sm,5.0,A3BC_cP5_221_c_b_a:O-Pu-Sm +mp-1206422,NbHSe2,-5.5848985325000005,-0.4634350224,0.4035682144,0.4035682144,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:H-Nb-Se,8.0,ABC2_hP8_194_a_c_f:H-Nb-Se +mp-1173520,Nb(H2Se)2,-4.1153257936,0.2652502315,0.7606806525,0.7606806525,GGA,Cc,A4BC2_mC28_9_4a_a_2a:H-Nb-Se,14.0,"Invalid WP multiplicities - A4BC2_mC28_9_8a_a_3a:H-Nb-Se, expected NbH8Se3 to be Nb(H2Se)2" +mp-1220729,Nb(H2Se)2,-3.9954040093,0.3851720158,0.8806024368,0.8806024368,GGA,C2/m,A4BC2_mC28_12_acij_i_2i:H-Nb-Se,14.0,"Invalid WP multiplicities - A4BC2_mC28_12_ad2i3j_i_2i:H-Nb-Se, expected NbH9Se2 to be Nb(H2Se)2" +mp-1194276,Ca(HoS2)2,-6.3451053568,-2.3856457729,0.0,-0.0068455985,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Ho-S,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Ho-S +mp-34011,Ca(HoS2)2,-6.3043586864,-2.3448991025,0.0407466704,0.0339010719,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Ho-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Ho-S +mp-1219512,RuRhS4,-6.3156554733,-0.7849038271000001,0.0073574946,0.0073574946,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Rh-Ru-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_d_4e:Rh-Ru-S, expected RuRhS8 to be RuRhS4" +mp-991329,Eu(Mo3S4)2,-6.7230369287,0.5051298310000001,1.6689271973,1.6672128663,GGA,P-1,AB6C8_aP15_2_a_3i_4i:Eu-Mo-S,15.0,AB6C8_aP15_2_a_3i_4i:Eu-Mo-S +mp-3627,Eu(Mo3S4)2,-8.391964126,-1.1637973663,0.0,-0.001714331,GGA,R-3,AB6C8_hR45_148_a_f_cf:Eu-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Eu-Mo-S +mp-1184438,Eu3Mo,-9.71439491,0.6897689675,0.6897689675,0.6897689675,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Mo,4.0,A3B_tI8_139_ad_b:Eu-Mo +mp-1206516,Lu3InC,-5.68388206,-0.5752419035,0.0,-0.197760372,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Lu,5.0,ABC3_cP5_221_b_a_c:C-In-Lu +mp-1025464,Sc3NiC4,-8.1404812487,-0.4289555031,0.0,-0.0339812807,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Ni-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Ni-Sc +mp-1086667,ScNiC2,-7.9255771975,-0.283093005,0.0447657387,0.0447657387,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Ni-Sc,8.0,A2BC_tP8_129_2c_a_c:C-Ni-Sc +mp-1078712,Hf2TlC,-8.5059509487,-0.629529274,0.0,-0.1600916971,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Hf-Tl,8.0,AB2C_hP8_194_a_f_c:C-Hf-Tl +mp-1096528,Y2InRu,-4.1314643975,2.1082927267,2.5159673766,2.5159673766,GGA,Immm,ABC2_oI8_71_a_b_e:In-Ru-Y,4.0,ABC2_oI8_71_a_b_e:In-Ru-Y +mp-636698,YHf2Pb,-7.2418234575,0.2815506033,0.5340099677,0.5340099677,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hf-Pb-Y,4.0,A2BC_cF16_225_c_a_b:Hf-Pb-Y +mp-1215196,ZrUNb,-9.8201741567,0.1599644033,0.1599644033,0.1599644033,GGA,Fmm2,ABC_oF12_42_a_a_a:Nb-U-Zr,3.0,ABC_oF12_42_a_a_a:Nb-U-Zr +mp-778151,ErLuO3,-8.78571314,-3.9999660472,0.0913835496,0.0913835496,GGA,Pnma,ABC3_oP20_62_c_a_cd:Er-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Er-Lu-O, expected ErLuO7 to be ErLuO3" +mp-1187841,YErCu2,-5.0631843025,-0.2550334867,0.0108604125,0.0108604125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Er-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Er-Y +mp-1181235,GdO2,-11.0933688617,-3.1035356408,0.1432769994,0.1432769994,GGA,P2_1/m,AB2_mP6_11_e_2e:Gd-O,6.0,AB2_mP6_11_e_2e:Gd-O +mp-21149,GdO2,-11.09287335,-3.1030401292,0.143772511,0.143772511,GGA,P4/nmm,AB2_tP6_129_c_ac:Gd-O,6.0,AB2_tP6_129_c_ac:Gd-O +mp-7870,GdO,-12.55962651,-3.0482210344,0.1985916058,0.1985916058,GGA,F-43m,AB_cF8_216_a_c:Gd-O,2.0,AB_cF8_216_a_c:Gd-O +mp-643084,Gd2O3,-12.454365914,-3.8559037912,0.040271377,-0.7744939930000001,GGA,C2/m,A2B3_mC30_12_3i_a4i:Gd-O,15.0,"Invalid WP multiplicities - A2B3_mC30_12_5i_a8i:Gd-O, expected Gd10O17 to be Gd2O3" +mp-1224674,Gd2O3,-12.287612186,-3.6891500632,0.207025105,-0.607740265,GGA,P-4m2,A2B3_tP5_115_g_abc:Gd-O,5.0,A2B3_tP5_115_g_abc:Gd-O +mp-20470,Gd2O3,-12.442722914,-3.8442607912,0.051914377,-0.762850993,GGA,P-3m1,A2B3_hP5_164_d_ad:Gd-O,5.0,A2B3_hP5_164_d_ad:Gd-O +mp-504886,Gd2O3,-12.494637291,-3.8961751682,0.0,-0.81476537,GGA,Ia-3,A2B3_cI80_206_ad_e:Gd-O,40.0,A2B3_cI80_206_ad_e:Gd-O +mp-684585,Gd2O3,-12.05699012,-3.4585279973,0.437647171,-0.377118199,GGA,Pn-3m,A2B3_cP10_224_b_d:Gd-O,10.0,A2B3_cP10_224_b_d:Gd-O +mp-766236,GdErO3,-10.6688942933,-3.9721128565,0.0049034643,0.0049034643,GGA,C2,ABC3_mC80_5_2a3c_2b3c_12c:Er-Gd-O,40.0,"Invalid WP multiplicities - ABC3_mC80_5_2a5c_2b5c_19c:Er-Gd-O, expected Gd6Er6O19 to be GdErO3" +mp-1184486,GdErO3,-9.93883887,-3.2420574332,0.7349588875,0.7349588875,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Er-Gd-O,5.0,ABC3_cP5_221_b_a_c:Er-Gd-O +mp-1206505,GdO3,-8.9963973662,-1.7673502728,0.6677592073,0.6677592073,GGA,P6_3/m,AB3_hP8_176_c_h:Gd-O,8.0,AB3_hP8_176_c_h:Gd-O +mp-1095911,YScIn2,-2.5937055725,1.9818713471,2.4445999,2.4445999,GGA,Immm,A2BC_oI8_71_e_a_b:In-Sc-Y,4.0,A2BC_oI8_71_e_a_b:In-Sc-Y +mp-1078335,Pr2BiN,-6.66648821,-1.2317893187,0.0,-0.01144488,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Bi-N-Pr,8.0,ABC2_tP8_129_c_c_ac:Bi-N-Pr +mp-998325,RbCaI3,-3.28088973,-1.7996431295000002,0.045907286,0.045731566,GGA,Cm,AB3C_mC10_8_a_ab_a:Ca-I-Rb,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ca-I-Rb, expected RbCaI5 to be RbCaI3" +mp-998592,RbCaI3,-3.326797016,-1.8455504155,0.0,-0.00017572,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ca-I-Rb,20.0,AB3C_oP20_62_c_3c_c:Ca-I-Rb +mp-989589,LaMnN3,-8.729407514,-0.9079060796,0.0,-0.116127904,GGA,C2/m,ABC3_mC20_12_i_i_ij:La-Mn-N,10.0,"Invalid WP multiplicities - ABC3_mC20_12_i_i_2i3j:La-Mn-N, expected LaMnN8 to be LaMnN3" +mp-989554,LaMnN3,-8.715835872,-0.8943344376000001,0.013571642,-0.102556262,GGA,Cmcm,ABC3_oC20_63_c_c_ag:La-Mn-N,10.0,"Invalid WP multiplicities - ABC3_oC20_63_c_c_2a2g:La-Mn-N, expected LaMnN6 to be LaMnN3" +mp-1216830,U2Be25Cu,-4.3565495593,-0.064858548,0.0017946102,0.0017946102,GGA,Fm-3,A25BC2_cF112_202_a2h_b_c:Be-Cu-U,28.0,"Invalid WP multiplicities - A25BC2_cF112_202_a6h_b_c:Be-Cu-U, expected U2Be73Cu to be U2Be25Cu" +mp-1163,UBe13,-4.3371864368,-0.0583452043,0.0,-0.0583452043,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-U,28.0,"Invalid WP multiplicities - A13B_cF112_226_b2i_a:Be-U, expected UBe25 to be UBe13" +mp-1071839,UCu4Au,-5.19715373,-0.036800615,0.0333988983,0.0333988983,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Cu-U,6.0,AB4C_cF24_216_a_e_c:Au-Cu-U +mp-30227,Rb2WCl6,-4.67510645,-1.7850599683,0.0,-0.0371770244,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-W,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-W +mp-1209078,RbWCl6,-4.7431548381,-1.6144193053,0.0,-0.0067810494,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Rb-W,16.0,A6BC_mC32_15_3f_e_a:Cl-Rb-W +mp-571180,Rb(WCl3)3,-5.7254204242,-1.3799008317,0.015230314,0.015230314,GGA,P-3,A9BC3_hP26_147_3g_d_g:Cl-Rb-W,26.0,"Invalid WP multiplicities - A9BC3_hP26_147_12g_d_g:Cl-Rb-W, expected Rb(WCl12)3 to be Rb(WCl3)3" +mp-623006,UGa5Ir,-5.4780196514,-0.4394018939,0.0,-0.0873906291,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ir-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Ir-U +mp-1208080,U2(Ga3Ir)3,-5.895777065,-0.4421351534,0.0204438073,0.0204438073,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-U,28.0,A9B3C2_oC56_63_cfgh_ae_g:Ga-Ir-U +mp-14716,Nd2Au5F21,-4.5941740147,-2.2353610439,0.0,-0.0106092743,GGA,P4_12_12,A5B21C2_tP112_92_a2b_a10b_b:Au-F-Nd,112.0,"Invalid WP multiplicities - A5B21C2_tP112_92_a2b_a12b_b:Au-F-Nd, expected Nd2(AuF5)5 to be Nd2Au5F21" +mp-1097149,YHfPd2,-4.5895317925,2.1063241483,2.9058814275,2.9058814275,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Hf-Pd-Y +mp-1172466,HeSiO2,-6.2576064297,-2.4256676891,0.0253563778,0.0253563778,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:He-O-Si,32.0,"Invalid WP multiplicities - AB2C_mP32_14_2e_4e_2e:He-O-Si, expected SiHeO2 to be HeSiO2" +mp-1143773,HeSiO2,-6.2608993231,-2.4289605825,0.0220634844,0.0220634844,GGA,R-3c,AB2C_hR48_167_c_be_c:He-O-Si,16.0,"Invalid WP multiplicities - AB2C_hR48_167_c_be_c:He-O-Si, expected SiHeO2 to be HeSiO2" +mp-754382,He,-0.00527239,0.00378712,0.00378712,0.00378712,GGA,P6/mmm,A_hP1_191_a:He,1.0,A_hP1_191_a:He +mp-23156,He,-0.007088755,0.001970755,0.001970755,0.001970755,GGA,P6_3/mmc,A_hP2_194_c:He,2.0,A_hP2_194_c:He +mp-614456,He,-0.00075975,0.00829976,0.00829976,0.00829976,GGA,Fm-3m,A_cF4_225_a:He,1.0,A_cF4_225_a:He +mp-23158,He,-0.00905951,0.0,0.0,0.0,GGA,Im-3m,A_cI2_229_a:He,1.0,A_cI2_229_a:He +mp-1019741,HeSiO2,-6.2567692834,-2.4248305428,0.0261935241,0.0261935241,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:He-O-Si,32.0,"Invalid WP multiplicities - AB2C_mP32_14_2e_4e_2e:He-O-Si, expected SiHeO2 to be HeSiO2" +mp-1019742,HeSiO2,-6.2602763694,-2.4283376288,0.0226864381,0.0226864381,GGA,R-3c,AB2C_hR48_167_c_be_c:He-O-Si,16.0,"Invalid WP multiplicities - AB2C_hR48_167_c_be_c:He-O-Si, expected SiHeO2 to be HeSiO2" +mp-1189829,UGe2Ir,-7.796613305,-0.45263833,0.0141508791,0.0141508791,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ir-U,16.0,A2BC_oI32_71_efm_m_ei:Ge-Ir-U +mp-20226,UGeIr,-8.8403348475,-0.5893774992,0.0,-0.1219638417,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-U,12.0,ABC_oP12_62_c_c_c:Ge-Ir-U +mp-1078742,U(GeIr)2,-8.12207672,-0.479209904,0.0223437852,0.0223437852,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-U,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-U +mp-21046,U(GeIr)2,-8.021978834,-0.379112018,0.1224416712,0.1224416712,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ir-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Ir-U +mp-757058,Mn2F7,-6.02006568,-2.4973564182,0.0647106281,0.0647106281,GGA+U,P-1,A7B2_aP18_2_7i_2i:F-Mn,18.0,"Invalid WP multiplicities - A7B2_aP18_2_13i_3i:F-Mn, expected Mn3F13 to be Mn2F7" +mp-760309,Mn2F7,-6.06963684,-2.5469275782,0.0151394681,0.0151394681,GGA+U,P2_1,A7B2_mP36_4_14a_4a:F-Mn,36.0,"Invalid WP multiplicities - A7B2_mP36_4_27a_7a:F-Mn, expected Mn7F27 to be Mn2F7" +mp-759987,Mn2F7,-6.0207518453,-2.4980425834,0.0640244628,0.0640244628,GGA+U,P2_1/c,A7B2_mP36_14_7e_2e:F-Mn,36.0,"Invalid WP multiplicities - A7B2_mP36_14_19e_3e:F-Mn, expected Mn3F19 to be Mn2F7" +mp-753435,Mn2F7,-6.02963225,-2.5069229882,0.0551440581,0.0551440581,GGA+U,C2/c,A7B2_mC36_15_e3f_f:F-Mn,18.0,"Invalid WP multiplicities - A7B2_mC36_15_2e9f_f:F-Mn, expected MnF10 to be Mn2F7" +mp-1213086,MnSn3F6,-4.518775477,-1.2528150108,1.179479348,1.179479348,GGA+U,P-1,A6BC3_aP10_2_3i_a_bce:F-Mn-Sn,10.0,A6BC3_aP10_2_3i_a_bce:F-Mn-Sn +mp-753169,Mn2F5,-6.7624733707,-2.7794125962000003,0.073649825,0.073649825,GGA+U,C2/c,A5B2_mC28_15_e2f_f:F-Mn,14.0,"Invalid WP multiplicities - A5B2_mC28_15_2e6f_f:F-Mn, expected MnF7 to be Mn2F5" +mp-753215,Mn2F5,-6.762831915,-2.7797711405000003,0.0732912807,0.0732912807,GGA+U,C2/c,A5B2_mC28_15_e2f_f:F-Mn,14.0,"Invalid WP multiplicities - A5B2_mC28_15_2e6f_f:F-Mn, expected MnF7 to be Mn2F5" +mp-1176438,MnF3,-6.4684610175,-2.7443479689,0.022263145,-0.0767225802,GGA+U,P2_1/m,A3B_mP16_11_2e2f_ad:F-Mn,16.0,"Invalid WP multiplicities - A3B_mP16_11_3e4f_ac:F-Mn, expected Mn2F11 to be MnF3" +mp-758601,MnF3,-6.3989459063,-2.6748328576,0.0917782562,-0.0072074689,GGA+U,C2/m,A3B_mC16_12_ij_g:F-Mn,8.0,"Invalid WP multiplicities - A3B_mC16_12_i2j_g:F-Mn, expected MnF5 to be MnF3" +mp-1176433,MnF3,-6.4399250938,-2.7158120451,0.0507990687,-0.0481866564,GGA+U,P2_1/c,A3B_mP16_14_3e_e:F-Mn,16.0,"Invalid WP multiplicities - A3B_mP16_14_9e_e:F-Mn, expected MnF9 to be MnF3" +mp-556560,MnF3,-6.4907241625,-2.7666111139,0.0,-0.0989857252,GGA+U,C2/c,A3B_mC16_15_ef_c:F-Mn,8.0,A3B_mC16_15_ef_a:F-Mn +mp-764949,MnF3,-6.484968555,-2.7608555064,0.0057556075,-0.0932301177,GGA+U,Pbam,A3B_oP8_55_bg_a:F-Mn,8.0,"Invalid WP multiplicities - A3B_oP8_55_2b2g_a:F-Mn, expected MnF6 to be MnF3" +mp-1176437,MnF3,-6.488831335,-2.7647182864,0.0018928275,-0.0970928977,GGA+U,Pnma,A3B_oP16_62_cd_a:F-Mn,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c2d_a:F-Mn, expected MnF7 to be MnF3" +mp-759525,MnF3,-6.4634961555,-2.7393831069,0.027228007,-0.0717577182,GGA+U,P4/mbm,A3B_tP40_127_cg2ij_di:F-Mn,40.0,"Invalid WP multiplicities - A3B_tP40_127_2c2g16i8j_2d2i:F-Mn, expected Mn5F51 to be MnF3" +mp-753295,MnF3,-6.4639174762,-2.7398044276,0.0268066862,-0.0721790389,GGA+U,P4/mbm,A3B_tP8_127_bg_a:F-Mn,8.0,"Invalid WP multiplicities - A3B_tP8_127_2b2g_a:F-Mn, expected MnF6 to be MnF3" +mp-757186,MnF3,-6.4481892438,-2.7240761951,0.0425349187,-0.0564508064,GGA+U,P4_2/mnm,A3B_tP16_136_fj_e:F-Mn,16.0,"Invalid WP multiplicities - A3B_tP16_136_3f2j_e:F-Mn, expected MnF7 to be MnF3" +mp-766789,MnF3,-6.4590965687,-2.7349835201,0.0316275938,-0.0673581314,GGA+U,P321,A3B_hP24_150_3g_ef:F-Mn,24.0,"Invalid WP multiplicities - A3B_hP24_150_7g_2e2f:F-Mn, expected Mn2F7 to be MnF3" +mp-765633,MnF3,-6.4394664238,-2.7153533751000003,0.0512577387,-0.0477279864,GGA+U,P321,A3B_hP24_150_3g_ef:F-Mn,24.0,"Invalid WP multiplicities - A3B_hP24_150_7g_2e2f:F-Mn, expected Mn2F7 to be MnF3" +mp-753434,Mn3F10,-6.1344478277,-2.5497681699,0.0752355125,0.0752355125,GGA+U,P-1,A10B3_aP26_2_ad9i_3i:F-Mn,26.0,"Invalid WP multiplicities - A10B3_aP26_2_ad18i_6i:F-Mn, expected Mn6F19 to be Mn3F10" +mp-1221693,MnF4,-5.666416266,-2.3048300336,0.0936017585,-0.0125952132,GGA+U,P-1,A4B_aP15_2_6i_abe:F-Mn,15.0,"Invalid WP multiplicities - A4B_aP15_2_12i_abe:F-Mn, expected MnF8 to be MnF4" +mp-753574,MnF4,-5.703105205,-2.3415189726,0.0569128195,-0.0492841522,GGA+U,P2_1/c,A4B_mP10_14_2e_a:F-Mn,10.0,"Invalid WP multiplicities - A4B_mP10_14_3e_a:F-Mn, expected MnF6 to be MnF4" +mp-759343,MnF4,-5.6813575,-2.3197712676,0.0786605245,-0.0275364472,GGA+U,Pbam,A4B_oP10_55_gh_a:F-Mn,10.0,"Invalid WP multiplicities - A4B_oP10_55_2gh_a:F-Mn, expected MnF6 to be MnF4" +mp-541103,MnF4,-5.7600180245,-2.3984317921,0.0,-0.1061969717,GGA+U,I4_1/a,A4B_tI80_88_4f_f:F-Mn,40.0,A4B_tI80_88_4f_f:F-Mn +mp-1385977,MnF4,-5.427897723,-2.0663114906,0.3321203015,0.2259233298,GGA+U,I4/mcm,A4B_tI20_140_l_d:F-Mn,10.0,A4B_tI20_140_l_d:F-Mn +mp-705480,MnF4,-5.6927185203,-2.3311322879,0.0672995042,-0.0388974676,GGA+U,R-3c,A4B_hR90_167_2ef_d:F-Mn,30.0,"Invalid WP multiplicities - A4B_hR90_167_7e4f_d:F-Mn, expected MnF15 to be MnF4" +mp-752616,Mn3F8,-6.6322903736,-2.7433924085,0.0782331736,0.0782331736,GGA+U,Cc,A8B3_mC44_9_8a_3a:F-Mn,22.0,"Invalid WP multiplicities - A8B3_mC44_9_15a_4a:F-Mn, expected Mn4F15 to be Mn3F8" +mp-753607,Mn7F18,-6.7396081624,-2.797979024,0.041251188,0.041251188,GGA+U,P-1,A18B7_aP25_2_9i_a3i:F-Mn,25.0,"Invalid WP multiplicities - A18B7_aP25_2_17i_a5i:F-Mn, expected Mn11F34 to be Mn7F18" +mp-20096,MnSnF6,-5.9900690725,-2.9100114535,0.0,-0.1034408012,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mn-Sn,8.0,A6BC_hR24_148_f_a_b:F-Mn-Sn +mp-615138,MnF2,-7.244356765,-2.916032356,0.052298475,-0.1767415999,GGA+U,P-42m,A2B_tP12_111_2n_bce:F-Mn,12.0,"Invalid WP multiplicities - A2B_tP12_111_5n_bce:F-Mn, expected MnF5 to be MnF2" +mp-560902,MnF2,-7.29665524,-2.9683308310000003,0.0,-0.2290400749,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:F-Mn,6.0,A2B_tP6_136_f_a:F-Mn +mp-867575,Mn7F16,-6.97655429,-2.8583903542,0.039777097,0.039777097,GGA+U,R-3,A16B7_hR69_148_2c2f_af:F-Mn,23.0,"Invalid WP multiplicities - A16B7_hR69_148_3c8f_af:F-Mn, expected Mn7F54 to be Mn7F16" +mp-20590,La3InB,-5.017821616,-0.1700022528,0.202741914,0.202741914,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-In-La,5.0,ABC3_cP5_221_b_a_c:B-In-La +mp-20391,B2Mo2Ir,-9.186255587,-0.4085519987,0.036726418,0.036726418,GGA,Pnnm,A2BC2_oP20_58_2g_g_2g:B-Ir-Mo,20.0,"Invalid WP multiplicities - A2BC2_oP20_58_6g_g_3g:B-Ir-Mo, expected B6Mo3Ir to be B2Mo2Ir" +mp-1228634,B4MoIr,-7.9810469517,-0.2474383894,0.0352574276,0.0352574276,GGA,P-6m2,A4BC_hP6_187_gh_a_d:B-Ir-Mo,6.0,"Invalid WP multiplicities - A4BC_hP6_187_2gh_a_d:B-Ir-Mo, expected B6MoIr to be B4MoIr" +mp-1202410,U(Zn10Os)2,-2.6367420207,-0.0740891046,0.0,-0.0473137721,GGA,Fd-3m,A2BC20_cF184_227_d_a_cfg:Os-U-Zn,46.0,A2BC20_cF184_227_d_a_cfg:Os-U-Zn +mp-569257,Ca3(B3Rh4)2,-6.79704403,-0.620125605,0.0,-0.0040357446,GGA,Fmmm,A6B3C8_oF68_69_gn_ai_fij:B-Ca-Rh,17.0,"Invalid WP multiplicities - A6B3C8_oF68_69_gn_ai_2f2i2j:B-Ca-Rh, expected Ca3(B3Rh8)2 to be Ca3(B3Rh4)2" +mp-568511,Ca7(B7Rh10)2,-6.8337505302,-0.6182178143,0.0,-0.0021155715,GGA,Fmmm,A14B7C20_oF164_69_g3n_a3i_f3i3j:B-Ca-Rh,41.0,"Invalid WP multiplicities - A14B7C20_oF164_69_2g9n_a4i_2f6i11j:B-Ca-Rh, expected Ca9(B2Rh3)20 to be Ca7(B7Rh10)2" +mp-8431,Ca(BRh)2,-6.618785107,-0.6001852747,0.0,-0.0189444323,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Ca-Rh,10.0,A2BC2_oF40_70_e_a_f:B-Ca-Rh +mp-28705,CaB2Rh3,-6.8561368667,-0.6132523614000001,0.0,-0.0097540188,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ca-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Ca-Rh +mp-8895,Ca2B4Rh5,-6.7550439209,-0.6141069942,0.0014867175,0.0014867175,GGA,Fmmm,A4B2C5_oF44_69_n_g_acf:B-Ca-Rh,11.0,A4B2C5_oF44_69_n_g_acf:B-Ca-Rh +mp-1102840,YAlAu,-5.3070042908,-0.8116946431000001,0.0,-0.11527297,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Y,12.0,ABC_oP12_62_c_c_c:Al-Au-Y +mp-1097420,YAlAu2,-2.92099738,1.2689553558,2.0083961702,2.0083961702,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Au-Y,4.0,AB2C_oI8_71_a_e_b:Al-Au-Y +mp-1187809,YAlAu2,-4.897696235,-0.7077434992,0.0316973152,0.0316973152,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Y,4.0,AB2C_cF16_225_a_c_b:Al-Au-Y +mp-1214861,AlH6,-2.514973935,0.9281592221,1.0087018986,1.0087018986,GGA,C2/c,AB6_mC28_15_c_3f:Al-H,14.0,"Invalid WP multiplicities - AB6_mC28_15_a_10f:Al-H, expected AlH20 to be AlH6" +mp-1079627,PrAlH6,-4.022327635,-0.4119729031,0.0,-0.0287882037,GGA,R-3m,AB6C_hR24_166_a_h_b:Al-H-Pr,8.0,AB6C_hR24_166_a_h_b:Al-H-Pr +mp-570130,AlH3,-3.609028935,-0.1280904437,0.01285924,-0.1280904437,GGA,Pnnm,AB3_oP24_58_ag_c2gh:Al-H,24.0,"Invalid WP multiplicities - AB3_oP24_58_2a2g_2c8g4h:Al-H, expected Al3H17 to be AlH3" +mp-1183246,AlH3,-3.6163967654,-0.1354582742,0.0054914096,-0.1354582742,GGA,Cmcm,AB3_oC48_63_ad_cfgh:Al-H,24.0,"Invalid WP multiplicities - AB3_oC48_63_2a2d_2c4f2g3h:Al-H, expected Al3H13 to be AlH3" +mp-23933,AlH3,-3.6127793987,-0.1318409075,0.0091087762,-0.1318409075,GGA,R-3c,AB3_hR24_167_b_e:Al-H,8.0,AB3_hR24_167_b_e:Al-H +mp-1106356,AlH3,-3.621888175,-0.1409496837,0.0,-0.1409496837,GGA,Fd-3m,AB3_cF64_227_c_f:Al-H,16.0,AB3_cF64_227_c_f:Al-H +mp-1214891,AlH12,-3.3398678115,0.0800005246,0.1233696581,0.1233696581,GGA,Fd-3m,AB12_cF104_227_a_g:Al-H,26.0,AB12_cF104_227_a_g:Al-H +mp-1183138,Al3H,-3.29127036,0.3660930237,0.4130762517,0.4130762517,GGA,Fm-3m,A3B_cF16_225_ac_b:Al-H,4.0,A3B_cF16_225_ac_b:Al-H +mp-3428,SmBPd3,-5.97277519,-0.5852505228,0.1079392568,0.1079392568,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Sm,5.0,AB3C_cP5_221_b_c_a:B-Pd-Sm +mp-1193935,Eu2BiS4,-7.5268483996,-1.6839495143,0.0,-0.0281986182,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Bi-Eu-S,28.0,AB2C4_oP28_62_c_2c_4c:Bi-Eu-S +mp-1192923,Eu(BiS2)2,-6.0825360586,-1.1562818404,0.0056938857,0.0056938857,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Eu-S,28.0,A2BC4_oP28_62_2c_c_4c:Bi-Eu-S +mp-1067160,LiYbS2,-4.49831371,-1.5679559899000002,0.2752198463,0.2752198463,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Yb,,AB2C_hR12_166_a_c_b:Li-S-Yb +mp-865506,VSiOs2,-9.560246235,-0.319256495,0.0,-0.01259767,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Os-Si-V,4.0,A2BC_cF16_225_c_a_b:Os-Si-V +mp-1216427,V6SiOs,-9.2856102862,-0.3910950512,0.0093149219,0.0093149219,GGA,Pm-3,ABC6_cP8_200_a_b_f:Os-Si-V,8.0,ABC6_cP8_200_a_b_f:Os-Si-V +mp-19749,Pr3InC,-3.694238562,1.5703747355000002,1.8279494223,1.8279494223,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Pr,5.0,ABC3_cP5_221_a_b_c:C-In-Pr +mp-1224508,Hf4(Ru4C)3,-9.7642942947,-0.3533688696,0.0303727447,0.0303727447,GGA,P4/mmm,A3B4C12_tP19_123_ag_2h_ef2gi:C-Hf-Ru,19.0,"Invalid WP multiplicities - A3B4C12_tP19_123_a2g_2h_2e2f2g4i:C-Hf-Ru, expected Hf4Ru28C5 to be Hf4(Ru4C)3" +mp-1192593,Sm6Mg23C,-2.5697397383,-0.0915189566,0.000113672,0.000113672,GGA,Fm-3m,AB23C6_cF120_225_a_bd2f_e:C-Mg-Sm,30.0,AB23C6_cF120_225_a_bd2f_e:C-Mg-Sm +mp-22263,Yb3SnC,-2.47984781,1.0915646275,1.5194259853,1.5194259853,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Sn-Yb,,ABC3_cP5_221_a_b_c:C-Sn-Yb +mp-1226616,CeDyC4,-8.0742377467,-0.1651480858,0.0644758293,0.0644758293,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Ce-Dy,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Ce-Dy, expected CeDyC6 to be CeDyC4" +mp-20154,CaTbF6,-6.0312631756,-3.7676582025,0.0502811391,0.0502811391,GGA,P4_2/m,AB6C_tP16_84_a_jk_f:Ca-F-Tb,16.0,AB6C_tP16_84_a_jk_f:Ca-F-Tb +mp-676767,Ba4Yb3F17,-5.6666967144,-3.8004522541,0.0,-0.0105162731,GGA,P1,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Yb,,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Yb +mp-1206981,BaYb2F8,-5.45742711,-3.6128795427,0.0127707081,0.0127707081,GGA,C2/m,AB8C2_mC22_12_a_gij_h:Ba-F-Yb,,AB8C2_mC22_12_a_gij_h:Ba-F-Yb +mp-1206015,Ba3YbF6,-5.50391237,-3.6273716795,0.2112129445,0.2112129445,GGA,P-1,A3B6C_aP10_2_bch_3i_a:Ba-F-Yb,,A3B6C_aP10_2_bch_3i_a:Ba-F-Yb +mp-978564,SmYTl2,-4.3573758775,-0.3797899921,0.0,-0.003423485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sm-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Sm-Tl-Y +mp-1209423,RbBa2I5,-3.5325251094,-2.0093606466,0.0,-0.0157155837,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ba-I-Rb,32.0,A2B5C_mP32_14_2e_5e_e:Ba-I-Rb +mp-1013537,Sr3AsN,-3.388489248,0.22432949,1.163282138,1.1114934254,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-N-Sr,5.0,ABC3_cP5_221_b_a_c:As-N-Sr +mp-1013555,Sr3AsN,-4.551771386,-0.938952648,0.0,-0.0517887126,GGA,Pm-3m,ABC3_cP5_221_a_b_c:As-N-Sr,5.0,ABC3_cP5_221_a_b_c:As-N-Sr +mp-1095856,Ta2IrW,-6.79732437,4.5807055475,4.91795024,4.91795024,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Ta-W,4.0,AB2C_oI8_71_a_e_b:Ir-Ta-W +mp-1223666,Ir4W,-9.718513914,-0.056140524,0.231965082,0.231965082,GGA,R-3m,A4B_hR15_166_2c_a:Ir-W,5.0,"Invalid WP multiplicities - A4B_hR15_166_3c_a:Ir-W, expected Ir6W to be Ir4W" +mp-30744,IrW,-11.206497665,-0.30821546,0.0,-0.068127455,GGA,Pmma,AB_oP4_51_e_f:Ir-W,4.0,AB_oP4_51_e_f:Ir-W +mp-1223778,IrW,-11.076518955,-0.17823675,0.12997871,0.061851255,GGA,P-6m2,AB_hP2_187_a_d:Ir-W,2.0,AB_hP2_187_a_d:Ir-W +mp-30745,Ir3W,-10.2284902,-0.3601320075,0.0,-0.2060242775,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ir-W,8.0,A3B_hP8_194_h_c:Ir-W +mp-972456,Sm3V,-5.44333641,0.3665797087,0.3665797087,0.3665797087,GGA,Fm-3m,A3B_cF16_225_ac_b:Sm-V,4.0,A3B_cF16_225_ac_b:Sm-V +mp-1173461,SmVSb3,-5.59294656,-0.355047375,0.2912172028,0.2912172028,GGA,Pbcm,A3BC_oP20_57_c2d_d_c:Sb-Sm-V,20.0,"Invalid WP multiplicities - A3BC_oP20_57_3c8d_d_c:Sb-Sm-V, expected SmVSb11 to be SmVSb3" +mp-1173542,SmVSb3,-5.333538878,-0.095639693,0.5506248847,0.5506248847,GGA,Pbcm,A3BC_oP20_57_c2d_d_c:Sb-Sm-V,20.0,"Invalid WP multiplicities - A3BC_oP20_57_3c8d_d_c:Sb-Sm-V, expected SmVSb11 to be SmVSb3" +mp-1208885,SmVSb3,-5.8790682285,-0.6411690435,0.0050955342,0.0050955342,GGA,Pbcm,A3BC_oP20_57_c2d_d_c:Sb-Sm-V,20.0,A3BC_oP20_57_c2d_d_c:Sb-Sm-V +mp-1209205,RbSm2I5,-3.6719311166,-1.448863855,0.1264877359,0.1264877359,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:I-Rb-Sm,32.0,A5BC2_mP32_14_5e_e_2e:I-Rb-Sm +mp-1206676,RbSmI3,-3.572161785,-1.5483179335,0.056198056,0.056198056,GGA,Cmcm,A3BC_oC20_63_cf_c_a:I-Rb-Sm,10.0,A3BC_oC20_63_cf_c_a:I-Rb-Sm +mp-641183,Ce4Te3N2,-7.2634991358,-1.7262475636,0.0,-0.0541990784,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ce-N-Te,36.0,"Invalid WP multiplicities - A4B2C3_oP36_62_5c5d_d_2cd:Ce-N-Te, expected Ce15(Te2N)2 to be Ce4Te3N2" +mp-1245593,Mg4RuN4,-5.9642676656,-0.5174340611,0.1459147098,0.1459147098,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mg-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Mg-N-Ru +mp-1246114,MgRuN2,-7.1460688375,-0.2591507275,0.1139829561,0.1139829561,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Ru,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Ru +mp-1247176,Mg2RuN3,-6.5405185146,-0.2931106121,0.2044009661,0.2044009661,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Mg-N-Ru,24.0,A2B3C_mC48_15_2f_2e2f_f:Mg-N-Ru +mp-1246569,Mg2RuN3,-6.6727423692,-0.4253344667,0.0721771115,0.0721771115,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-Ru,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-Ru +mp-9928,CaRhF6,-5.350331015,-2.7454833206,0.0,-0.0716634317,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Rh,8.0,AB6C_hR24_148_a_f_b:Ca-F-Rh +mp-569578,NbI5,-3.70069675,-0.7893406183,0.0,-0.1164723454,GGA,P-1,A5B_aP12_2_5i_i:I-Nb,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_i:I-Nb, expected NbI9 to be NbI5" +mp-661308,NbI5,-0.7054291717000001,2.20592696,2.9952675783,2.8787952329,GGA,P-1,A5B_aP12_2_5i_i:I-Nb,12.0,"Invalid WP multiplicities - A5B_aP12_2_9i_i:I-Nb, expected NbI9 to be NbI5" +mp-31487,NbI5,-3.6810981354,-0.7697420038,0.0195986146,-0.0968737308,GGA,P2_1/c,A5B_mP24_14_5e_e:I-Nb,24.0,A5B_mP24_14_5e_e:I-Nb +mp-570722,NbI3,-4.4102352938,-0.7798842713,0.0462821105,0.0462821105,GGA,P6_3/mcm,A3B_hP8_193_g_b:I-Nb,8.0,A3B_hP8_193_g_b:I-Nb +mp-27772,Nb3I8,-4.6611180355,-0.8346774973000001,0.0,-0.0593639475,GGA,R-3m,A8B3_hR66_166_2c2h_h:I-Nb,22.0,"Invalid WP multiplicities - A8B3_hR66_166_3c7h_h:I-Nb, expected NbI8 to be Nb3I8" +mp-1186215,Nb3I,-7.4654572275,0.47886314,0.7657835297000001,0.7657835297000001,GGA,P6_3/mmc,AB3_hP8_194_c_h:I-Nb,8.0,AB3_hP8_194_c_h:I-Nb +mp-1192748,Cs3Nb2I9,-3.8138686661,-1.2317890699,0.0,-0.0050839422,GGA,P6_3/mmc,A3B9C2_hP28_194_bf_hk_f:Cs-I-Nb,28.0,A3B9C2_hP28_194_bf_hk_f:Cs-I-Nb +mp-1196526,Nb6I11,-5.2583990209,-0.7398778391,0.0027396401,0.0027396401,GGA,Pna2_1,A11B6_oP68_33_11a_6a:I-Nb,68.0,A11B6_oP68_33_11a_6a:I-Nb +mp-23226,Nb6I11,-5.2487473391,-0.7302261574000001,0.0123913218,0.0123913218,GGA,Pccn,A11B6_oP68_56_c5e_3e:I-Nb,68.0,A11B6_oP68_56_c5e_3e:I-Nb +mp-570455,CsNb6I11,-5.1463471036,-0.8291103002,0.004130209,0.004130209,GGA,P6_322,AB11C6_hP36_182_b_fgi_i:Cs-I-Nb,36.0,"Invalid WP multiplicities - AB11C6_hP36_182_b_2f4g4i_i:Cs-I-Nb, expected Cs(Nb3I20)2 to be CsNb6I11" +mp-570044,NbI4,-4.0063960155,-0.8074419275,0.0,-0.0038525758,GGA,Cmc2_1,A4B_oC40_36_4a2b_b:I-Nb,20.0,"Invalid WP multiplicities - A4B_oC40_36_8a6b_b:I-Nb, expected NbI10 to be NbI4" +mp-1095956,YAgAu2,-2.783074935,1.1786228442,1.8247528133,1.8247528133,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Au-Y,4.0,AB2C_oI8_71_a_e_b:Ag-Au-Y +mp-1093787,Y2AgAu,-2.984906345,1.7749387125,2.3827038225,2.3827038225,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Au-Y +mp-1187720,Y2AgAu,-5.36292672,-0.6030816625000001,0.0046834475,0.0046834475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Au-Y,4.0,ABC2_cF16_225_a_b_c:Ag-Au-Y +mp-1206751,DySeI,-2.164625205,1.0273963509,2.9702294961,2.9702294961,GGA,Pmmm,ABC_oP6_47_i_i_i:Dy-I-Se,6.0,ABC_oP6_47_i_i_i:Dy-I-Se +mp-865482,VTc2Ge,-8.911676305,-0.3046233513,0.0,-0.118421125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Tc-V,4.0,AB2C_cF16_225_a_c_b:Ge-Tc-V +mp-607806,Ho3Se3N,-6.7598913225,-2.1068261842,0.0,-0.0143575404,GGA,C2/c,A3BC3_mC56_15_3f_f_3f:Ho-N-Se,28.0,"Invalid WP multiplicities - A3BC3_mC56_15_10f_f_10f:Ho-N-Se, expected Ho10Se10N to be Ho3Se3N" +mp-1183447,BePdO3,-5.602706964,-0.8508348023000001,0.8275869360000001,0.8275869360000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pd,5.0,AB3C_cP5_221_b_c_a:Be-O-Pd +mp-1193886,Zr4Ir2N,-9.7166423032,-1.1160471882,0.0,-0.0376108385,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Ir-N-Zr,28.0,A2BC4_cF112_227_e_c_df:Ir-N-Zr +mp-1194288,PaBe13,-4.2776168807,-0.1256860304,0.0,-0.1256860304,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Pa,28.0,A13B_cF112_226_bi_a:Be-Pa +mp-1186392,PaBeO3,-8.828224046,-3.2093953143,0.452009925,0.452009925,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pa,5.0,AB3C_cP5_221_b_c_a:Be-O-Pa +mp-1029330,Hf2SeN2,-9.917373222,-1.9007173445,0.0,-0.0935403673,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Hf-N-Se,5.0,A2B2C_hP5_164_d_d_a:Hf-N-Se +mp-1245721,TaTeN,-8.5486571633,-0.7694643472,0.2448180828,0.2448180828,GGA,C2/m,ABC_mC24_12_2i_2i_2i:N-Ta-Te,12.0,ABC_mC24_12_2i_2i_2i:N-Ta-Te +mp-1246330,TaTeN,-8.642290945,-0.8630981289,0.1511843012,0.1511843012,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Ta-Te,6.0,ABC_tP6_129_a_c_c:N-Ta-Te +mp-1245687,Ta4Te3N2,-8.8142083011,-0.6437618511000001,0.3019684281,0.3019684281,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Ta-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Ta-Te +mp-1213493,Lu(AsO)2,-6.1930133935,-1.446500443,0.8896397380000001,0.8896397380000001,GGA,I4_1/amd,A2BC2_tI40_141_h_c_h:As-Lu-O,20.0,A2BC2_tI40_141_h_c_h:As-Lu-O +mp-7644,LuAsO4,-7.6869851817,-2.85918122,0.0,-0.2296416843,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Lu-O,12.0,ABC4_tI24_141_a_b_h:As-Lu-O +mp-12056,Ba(POs)2,-7.71159768,-0.6715347173,0.0,-0.1200023538,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Os-P,5.0,AB2C2_tI10_139_a_d_e:Ba-Os-P +mp-1202507,EuAlF5,-7.3437833842,-3.9780730317,0.0,-0.0161955178,GGA,I4_1/a,ABC5_tI448_88_2e3f_4f_20f:Al-Eu-F,224.0,ABC5_tI448_88_2e3f_4f_20f:Al-Eu-F +mp-1221730,Mn7Al4V5,-8.056634245,-0.2731379503,0.0325101609,0.0325101609,GGA,R3m,A4B7C5_hR48_160_4a_7a_5a:Al-Mn-V,16.0,A4B7C5_hR48_160_4a_7a_5a:Al-Mn-V +mp-1221624,MnAlV2,-7.924227895,-0.1553770795,0.10004823,0.10004823,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Mn-V,4.0,ABC2_cF16_216_a_c_bd:Al-Mn-V +mp-864984,MnV3,-9.249998315,-0.1465649395,0.0,-0.0045239125,GGA,Fm-3m,AB3_cF16_225_a_bc:Mn-V,4.0,AB3_cF16_225_a_bc:Mn-V +mp-10895,Mn2AlV,-8.106002735,-0.317624614,0.0,-0.039440715,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-V,4.0,AB2C_cF16_225_a_c_b:Al-Mn-V +mp-1221708,Mn5Al2V,-7.9937105762,-0.1955688025,0.0313149405,0.0313149405,GGA,R-3m,A2B5C_hR24_166_c_a2c_b:Al-Mn-V,8.0,"Invalid WP multiplicities - A2B5C_hR24_166_c_a4c_b:Al-Mn-V, expected Mn9Al2V to be Mn5Al2V" +mp-1221550,MnV,-9.258069855,-0.135109174,0.14897288,-0.0373992143,GGA,Cmmm,AB_oC4_65_a_c:Mn-V,2.0,AB_oC4_65_a_c:Mn-V +mp-316,MnV,-9.407042735,-0.284082054,0.0,-0.1863720943,GGA,Pm-3m,AB_cP2_221_a_b:Mn-V,2.0,AB_cP2_221_a_b:Mn-V +mp-1221807,Mn3Al2V3,-8.0174706325,-0.2388561642,0.0548154444,0.0548154444,GGA,R3m,A2B3C3_hR24_160_2a_3a_3a:Al-Mn-V,8.0,A2B3C3_hR24_160_2a_3a_3a:Al-Mn-V +mp-1221707,Mn9Al4V3,-8.0405248756,-0.2472649282,0.0249892503,0.0249892503,GGA,R-3m,A4B9C3_hR48_166_2c_a4c_bc:Al-Mn-V,16.0,"Invalid WP multiplicities - A4B9C3_hR48_166_2c_a8c_b2c:Al-Mn-V, expected Mn17Al4V5 to be Mn9Al4V3" +mp-1222031,Mn11Al4V,-7.9316618856,-0.1286382855,0.052875022,0.052875022,GGA,R-3m,A4B11C_hR48_166_2c_a5c_b:Al-Mn-V,16.0,"Invalid WP multiplicities - A4B11C_hR48_166_2c_a10c_b:Al-Mn-V, expected Mn21Al4V to be Mn11Al4V" +mp-1102836,BiIrS,-6.0410108567,-0.4358864644,0.0,-0.0379252987,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Ir-S,12.0,ABC_cP12_198_a_a_a:Bi-Ir-S +mp-541052,Eu(ErS2)2,-7.5432141796,-2.4091800529,0.0,-0.0309893142,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Eu-S,28.0,A2BC4_oP28_62_2c_c_4c:Er-Eu-S +mp-676200,Eu(ErS2)2,-7.4775448614,-2.3435107346,0.0656693182,0.034680004,GGA,I-42d,A2BC4_tI28_122_d_a_e:Er-Eu-S,14.0,A2BC4_tI28_122_d_a_e:Er-Eu-S +mp-865507,VSiRu2,-8.8318161925,-0.5673088975,0.0,-0.1436570419,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Si-V,4.0,A2BC_cF16_225_c_a_b:Ru-Si-V +mp-1200288,Pr(SiP3)2,-5.7623528087,-0.4166464915,0.0090979396,0.0090979396,GGA,Cmc2_1,A6BC2_oC144_36_8a8b_4a_4b:P-Pr-Si,72.0,A6BC2_oC144_36_8a8b_4a_4b:P-Pr-Si +mp-1200190,PrSiP3,-5.9729421170000006,-0.6837158560000001,0.0,-0.004534032,GGA,Pna2_1,A3BC_oP40_33_6a_2a_2a:P-Pr-Si,40.0,A3BC_oP40_33_6a_2a_2a:P-Pr-Si +mp-1247328,Ni4RuN4,-7.1062371839,0.1983104783,0.2336248598,0.2336248598,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Ni-Ru,18.0,A4B4C_aP18_2_4i_4i_i:N-Ni-Ru +mp-684697,Sc20O19,-8.8201042585,-3.162758935,0.0603361215,0.0603361215,GGA,I4/m,A19B20_tI78_87_ad2hi_ce2hi:O-Sc,39.0,"Invalid WP multiplicities - A19B20_tI78_87_a2d7h7i_2c2e8h8i:O-Sc, expected Sc104O89 to be Sc20O19" +mp-985561,Ac3Sc,-4.5546458538,0.1193526781,0.1193526781,0.1193526781,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ac-Sc,8.0,A3B_hP8_194_h_c:Ac-Sc +mp-1183152,AcScO3,-8.888565856,-3.8298238067,0.0241400349,0.0241400349,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ac-O-Sc,5.0,AB3C_cP5_221_a_c_b:Ac-O-Sc +mp-1186987,ScO3,-7.0816081662,-1.7884743566,0.6924606541,0.6924606541,GGA,P6_3/mmc,A3B_hP8_194_h_c:O-Sc,8.0,A3B_hP8_194_h_c:O-Sc +mp-1183247,AcSc3,-5.65634616,0.1232994206,0.1232994206,0.1232994206,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ac-Sc,8.0,AB3_hP8_194_c_h:Ac-Sc +mp-1206234,ScO2,-8.4423793467,-3.0337638375,0.27414951,0.27414951,GGA,Pnnm,A2B_oP6_58_g_a:O-Sc,6.0,A2B_oP6_58_g_a:O-Sc +mp-1179114,ScO2,-8.4444678683,-3.0358523592,0.2720609883,0.2720609883,GGA,Pnma,A2B_oP12_62_2c_c:O-Sc,12.0,A2B_oP12_62_2c_c:O-Sc +mp-1179108,ScO2,-8.388528430000001,-2.9799129208,0.3280004267,0.3280004267,GGA,Cmcm,A2B_oC12_63_2c_c:O-Sc,6.0,A2B_oC12_63_2c_c:O-Sc +mp-644481,ScO,-8.88070479,-3.2411258819,0.0667874656,0.0667874656,GGA,Fm-3m,AB_cF8_225_a_b:O-Sc,2.0,AB_cF8_225_a_b:O-Sc +mp-759946,Sc16O15,-8.8091206603,-3.1471904555,0.0540160098,0.0540160098,GGA,R-3m,A15B16_hR93_166_acdeh_2c2h:O-Sc,31.0,"Invalid WP multiplicities - A15B16_hR93_166_a2c2d3e5h_3c6h:O-Sc, expected Sc21O25 to be Sc16O15" +mp-558748,Sc2O3,-9.3967474493,-3.8957465806,0.0737494364,-0.7777848123000001,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Sc,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a7i_6i:O-Sc, expected Sc4O5 to be Sc2O3" +mp-775837,Sc2O3,-9.388716905,-3.8877160362,0.0817799808,-0.769754268,GGA,Pna2_1,A3B2_oP40_33_6a_4a:O-Sc,40.0,"Invalid WP multiplicities - A3B2_oP40_33_20a_15a:O-Sc, expected Sc3O4 to be Sc2O3" +mp-754455,Sc2O3,-9.384176468,-3.8831755992,0.0863204178,-0.7652138310000001,GGA,R-3,A3B2_hR30_148_f_abc:O-Sc,10.0,"Invalid WP multiplicities - A3B2_hR30_148_f_ab2c:O-Sc, expected ScO to be Sc2O3" +mp-13060,Sc2O3,-9.338607112,-3.8376062432,0.1318897738,-0.7196444750000001,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Sc,5.0,A3B2_hP5_164_ad_d:O-Sc +mp-755313,Sc2O3,-9.431764759,-3.9307638902,0.0387321268,-0.812802122,GGA,R-3c,A3B2_hR30_167_e_c:O-Sc,10.0,A3B2_hR30_167_e_c:O-Sc +mp-216,Sc2O3,-9.4704968858,-3.969496017,0.0,-0.8515342488000001,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Sc,40.0,A3B2_cI80_206_e_ad:O-Sc +mp-23347,Rb4YbI6,-3.08775834,-1.7875817336000002,0.0,-0.0035544627,GGA,R-3c,A6B4C_hR66_167_f_ae_b:I-Rb-Yb,,A6B4C_hR66_167_f_ae_b:I-Rb-Yb +mp-568796,RbYbI3,-3.247499976,-1.8594516955,0.0008237895,0.0008237895,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-Rb-Yb,,"Invalid WP multiplicities - A3BC_oP20_62_10c_c_c:I-Rb-Yb, expected RbYbI10 to be RbYbI3" +mp-20999,La3InN,-6.127159378,-0.947919384,0.0,-0.12853787,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-La-N,5.0,AB3C_cP5_221_a_c_b:In-La-N +mp-989530,SrTcN3,-7.974125774,-0.5622023393000001,0.009342589,-0.0219015489,GGA,C2/m,A3BC_mC20_12_3i_i_i:N-Sr-Tc,10.0,"Invalid WP multiplicities - A3BC_mC20_12_5i_i_i:N-Sr-Tc, expected SrTcN5 to be SrTcN3" +mp-989627,SrTcN3,-7.983468363,-0.5715449283,0.0,-0.0312441379,GGA,C2/c,A3BC_mC40_15_3f_2e_f:N-Sr-Tc,20.0,"Invalid WP multiplicities - A3BC_mC40_15_8f_4e_f:N-Sr-Tc, expected Sr2TcN8 to be SrTcN3" +mp-989586,SrTcN3,-7.963560568,-0.5516371333,0.019907795,-0.0113363429,GGA,C222_1,A3BC_oC20_20_bc_a_a:N-Sr-Tc,10.0,"Invalid WP multiplicities - A3BC_oC20_20_2b3c_a_a:N-Sr-Tc, expected SrTcN8 to be SrTcN3" +mp-989546,SrTcN3,-7.963568953,-0.5516455183,0.01989941,-0.0113447279,GGA,Cmcm,A3BC_oC20_63_ag_c_c:N-Sr-Tc,10.0,"Invalid WP multiplicities - A3BC_oC20_63_2a2g_c_c:N-Sr-Tc, expected SrTcN6 to be SrTcN3" +mp-1215888,YTmTe2,-5.752373905,-1.4451443242,0.02516111,0.02516111,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Te-Tm-Y,4.0,A2BC_tP4_123_ad_b_c:Te-Tm-Y +mp-1207290,U2BiSb2,-6.307998656,0.62826367,0.894501847,0.894501847,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Bi-Sb-U,5.0,AB2C2_tP5_123_a_g_g:Bi-Sb-U +mp-23196,U3Bi4,-6.9866719986,0.0470689371,0.0470689371,0.0470689371,GGA,I-43d,A4B3_cI28_220_c_a:Bi-U,14.0,A4B3_cI28_220_c_a:Bi-U +mp-1018042,UBi,-7.47903793,0.08691164,0.08691164,0.08691164,GGA,Pm-3m,AB_cP2_221_a_b:Bi-U,2.0,AB_cP2_221_a_b:Bi-U +mp-7896,Cs2O2,-4.15219264,-1.2311470983,0.0,-0.1421143547,GGA,Immm,AB_oI8_71_e_g:Cs-O,4.0,AB_oI8_71_e_g:Cs-O +mp-1213702,Cs2O2,-3.851120135,-0.9300745933,0.301072505,0.1589581503,GGA,Fm-3m,AB_cF8_225_a_b:Cs-O,2.0,AB_cF8_225_a_b:Cs-O +mp-684583,CsO2,-4.5325646017,-0.9363046701,0.0443909517,-0.0743723392,GGA,Pnnm,AB2_oP6_58_a_g:Cs-O,6.0,AB2_oP6_58_a_g:Cs-O +mp-1096936,CsO2,-4.5177681933,-0.9215082618,0.05918736,-0.0595759308,GGA,Cmmm,AB2_oC6_65_a_h:Cs-O,3.0,AB2_oC6_65_a_h:Cs-O +mp-1181502,CsO2,-4.5381054867,-0.9418455551,0.0388500667,-0.0799132242,GGA,Cmmm,AB2_oC6_65_a_h:Cs-O,3.0,AB2_oC6_65_a_h:Cs-O +mp-1441,CsO2,-4.5769555533,-0.9806956218,0.0,-0.1187632908,GGA,I4/mmm,AB2_tI6_139_a_e:Cs-O,3.0,AB2_tI6_139_a_e:Cs-O +mp-1189507,CsO3,-4.586939965,-0.6530728385,0.0824488778,0.0824488778,GGA,P2_1/c,AB3_mP16_14_e_3e:Cs-O,16.0,AB3_mP16_14_e_3e:Cs-O +mp-1213719,Cs2O3,-4.3551941005,-1.0290199249,0.0518562875,0.0518562875,GGA,I-43d,A2B3_cI40_220_c_d:Cs-O,20.0,A2B3_cI40_220_c_d:Cs-O +mp-1185535,Cs2O3,-3.727060392,-0.4008862164,0.6799899960000001,0.6799899960000001,GGA,Pm-3m,A2B3_cP5_221_ab_c:Cs-O,5.0,A2B3_cP5_221_ab_c:Cs-O +mp-1105918,Cs4O3,-3.7089592643,-1.0772913183,0.1358159271,0.1358159271,GGA,I-43d,A4B3_cI28_220_c_a:Cs-O,14.0,A4B3_cI28_220_c_a:Cs-O +mp-562001,Cs11O3,-2.5555670684000003,-0.7920319094,0.0038224548,0.0038224548,GGA,P2_1/c,A11B3_mP56_14_11e_3e:Cs-O,56.0,"Invalid WP multiplicities - A11B3_mP56_14_41e_10e:Cs-O, expected Cs41O10 to be Cs11O3" +mp-510262,Cs3O,-2.836720715,-0.9284967581,0.0,-0.0173581891,GGA,P6_3/mcm,A3B_hP8_193_g_b:Cs-O,8.0,A3B_hP8_193_g_b:Cs-O +mp-1183920,CsPaO3,-8.516854444,-3.4668278108,0.0,-0.554360512,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Pa,5.0,AB3C_cP5_221_a_c_b:Cs-O-Pa +mp-755060,Cs2O,-3.36349067,-1.1176595182,0.07139459,-0.0882793133,GGA,Pnnm,A2B_oP6_58_g_a:Cs-O,6.0,A2B_oP6_58_g_a:Cs-O +mp-755573,Cs2O,-3.3439936917,-1.0981625399,0.0908915683,-0.068782335,GGA,Pnma,A2B_oP12_62_2c_c:Cs-O,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:Cs-O, expected Cs5O to be Cs2O" +mp-7988,Cs2O,-3.43488526,-1.1890541082,0.0,-0.1596739033,GGA,R-3m,A2B_hR9_166_c_a:Cs-O,3.0,A2B_hR9_166_c_a:Cs-O +mp-1199296,Gd5P12Ru19,-9.5118528858,-0.8575781764,0.0,-0.07090801,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Gd-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:Gd-P-Ru +mp-672215,Gd(PRu)2,-9.72480816,-1.0345016933,0.0,-0.0481638479,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Gd-P-Ru +mp-1246640,Ba3ZrN3,-6.4095532543,-0.7932517936,0.2460931486,0.2460931486,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Zr,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Zr +mp-1246780,Ba5Zr2N6,-6.9178978127,-1.0171866196,0.079182121,0.079182121,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ba-N-Zr,26.0,A5B6C2_mC52_15_e2f_3f_f:Ba-N-Zr +mp-1245594,Ba4ZrN4,-6.4292637372,-0.9215326161,0.0288863337,0.0288863337,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-Zr +mp-3104,BaZrN2,-8.209672125,-1.42475577,0.0,-0.1530729885,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ba-N-Zr,8.0,AB2C_tP8_129_c_ac_c:Ba-N-Zr +mp-1245936,Ba7ZrN6,-5.9050500489,-0.7622289946,0.0526651494,0.0526651494,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ba-N-Zr,56.0,A7B6C_oP56_60_c3d_3d_c:Ba-N-Zr +mp-30465,YBiPd2,-5.921594335,-0.7549133692000001,0.0706628796,0.0706628796,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Bi-Pd-Y +mp-1008624,YBiPd,-6.1236647833,-0.9613840989,0.0,-0.1532568467,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Pd-Y,3.0,ABC_cF12_216_a_c_b:Bi-Pd-Y +mp-1207753,Y5BiPd2,-6.5288866219,-0.7123105823,0.0,-0.002750203,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Bi-Pd-Y,16.0,AB2C5_tI32_140_a_h_cl:Bi-Pd-Y +mp-1095536,VNiGe,-6.82905766,-0.3333674583,0.0022390538,0.0022390538,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-V,12.0,ABC_oP12_62_c_c_c:Ge-Ni-V +mp-1225638,Er2P7Rh12,-7.3685460033,-0.9209150697,0.0,-0.0520697858,GGA,P-3,A2B7C12_hP21_147_d_ag_2g:Er-P-Rh,21.0,A2B7C12_hP21_147_d_ag_2g:Er-P-Rh +mp-1212611,HfAs2O9,-6.9975526296,-1.6812506095000002,0.2347696852,0.2347696852,GGA,P2_1/c,A2BC9_mP48_14_2e_e_9e:As-Hf-O,48.0,A2BC9_mP48_14_2e_e_9e:As-Hf-O +mp-1224416,GdYAl4,-6.44899295,-0.5281768378,0.00299191,0.00299191,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Gd-Y,6.0,A4BC_cF24_216_e_a_c:Al-Gd-Y +mp-1212416,HfCrP,-9.21267402,-0.8714943511000001,0.0,-0.0090848883,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Hf-P,12.0,ABC_oP12_62_c_c_c:Cr-Hf-P +mp-1199986,Eu(BRu)4,-8.5856749031,-0.3554327871,0.0,-0.0764526464,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Eu-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Eu-Ru +mp-1191457,EuB4Ru,-8.126632115,-0.4184702111,0.0,-0.0072847089,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Eu-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Eu-Ru +mp-1244881,NbO2,-9.3555041734,-2.6906100193,0.2078663707,0.2019889101,GGA,P1,AB2_aP102_1_34a_68a:Nb-O,102.0,AB2_aP102_1_34a_68a:Nb-O +mp-1244973,NbO2,-9.3037066822,-2.638812528,0.259663862,0.2537864013,GGA,P1,AB2_aP102_1_34a_68a:Nb-O,102.0,AB2_aP102_1_34a_68a:Nb-O +mp-1245189,NbO2,-9.3043123945,-2.6394182403,0.2590581497,0.253180689,GGA,P1,AB2_aP102_1_34a_68a:Nb-O,102.0,AB2_aP102_1_34a_68a:Nb-O +mp-754698,NbO2,-9.4636998267,-2.7988056725,0.0996707175,0.0937932568,GGA,C2/m,AB2_mC24_12_2i_4i:Nb-O,12.0,"Invalid WP multiplicities - AB2_mC24_12_3i_7i:Nb-O, expected Nb3O7 to be NbO2" +mp-776975,NbO2,-9.4913032967,-2.8264091425,0.0720672475,0.0661897868,GGA,Pbca,AB2_oP24_61_c_2c:Nb-O,24.0,"Invalid WP multiplicities - AB2_oP24_61_c_5c:Nb-O, expected NbO5 to be NbO2" +mp-821,NbO2,-9.5600108106,-2.8951166565,0.0033597335,-0.0025177271,GGA,I4_1/a,AB2_tI96_88_2f_4f:Nb-O,48.0,AB2_tI96_88_2f_4f:Nb-O +mp-649729,NbO2,-9.2524625017,-2.5875683475,0.3109080425,0.3050305818,GGA,I4_1/a,AB2_tI96_88_2f_4f:Nb-O,48.0,"Invalid WP multiplicities - AB2_tI96_88_9f_28f:Nb-O, expected Nb9O28 to be NbO2" +mp-557057,NbO2,-9.5633705442,-2.89847639,0.0,-0.0058774607,GGA,I4_1/a,AB2_tI48_88_f_2f:Nb-O,24.0,"Invalid WP multiplicities - AB2_tI48_88_f_8f:Nb-O, expected NbO8 to be NbO2" +mp-2533,NbO2,-9.5358153567,-2.8709212025,0.0275551875,0.0216777268,GGA,P4_2/mnm,AB2_tP6_136_a_f:Nb-O,6.0,AB2_tP6_136_a_f:Nb-O +mp-755690,NbO2,-9.5241906817,-2.8592965275,0.0391798625,0.0333024018,GGA,I4_1/amd,AB2_tI12_141_a_e:Nb-O,6.0,AB2_tI12_141_a_e:Nb-O +mp-25214,NbO2,-9.279999415,-2.6151052608,0.2833711292,0.2774936685,GGA,P6_3/mmc,AB2_hP6_194_c_f:Nb-O,6.0,AB2_hP6_194_c_f:Nb-O +mp-1095187,Nb2O3,-9.581871108,-2.5733358653,0.0810687998,0.0810687998,GGA,C2/m,A2B3_mC20_12_2i_3i:Nb-O,10.0,A2B3_mC20_12_2i_3i:Nb-O +mp-1232391,Nb4O9,-9.3194821608,-2.7867576561,0.2009809282,0.2009809282,GGA,P1,A4B9_aP13_1_4a_9a:Nb-O,13.0,A4B9_aP13_1_4a_9a:Nb-O +mp-795582,Nb4ReO4,-9.5539209806,-1.483198515,0.5508433319,0.5508433319,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Nb-O-Re,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_6i_4i_i:Nb-O-Re, expected Nb6ReO4 to be Nb4ReO4" +mp-510554,Nb12O29,-9.49481719,-3.039460285,0.0005293399,-0.024341985,GGA,C2/m,A12B29_mC82_12_6i_a14i:Nb-O,41.0,"Invalid WP multiplicities - A12B29_mC82_12_12i_a28i:Nb-O, expected Nb8O19 to be Nb12O29" +mp-1470,Nb12O29,-9.4953465299,-3.0399896248,0.0,-0.0248713249,GGA,Cmcm,A12B29_oC164_63_6f_3c13f:Nb-O,82.0,"Invalid WP multiplicities - A12B29_oC164_63_6f_3c14f:Nb-O, expected Nb12O31 to be Nb12O29" +mp-1048542,Nb2ReO8,-9.0151726914,-2.4496593318,0.2586277875,0.2586277875,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Nb-O-Re,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_5f_e:Nb-O-Re, expected Nb2ReO10 to be Nb2ReO8" +mp-680944,Nb2O5,-9.4541777504,-3.0347415166,0.0003725393,-0.0671325971,GGA,P1,A2B5_aP56_1_16a_40a:Nb-O,56.0,"Invalid WP multiplicities - A2B5_mC112_5_14c_39c:Nb-O, expected Nb14O39 to be Nb2O5" +mp-1364247,Nb2O5,-9.2728901275,-2.8534538937,0.1816601622,0.1141550257,GGA,P1,A2B5_aP56_1_16a_40a:Nb-O,56.0,A2B5_aP56_1_16a_40a:Nb-O +mp-766361,Nb2O5,-9.4426736363,-3.0232374025,0.0118766534,-0.055628483,GGA,P-1,A2B5_aP70_2_10i_ad24i:Nb-O,70.0,"Invalid WP multiplicities - A2B5_aP70_2_19i_ad48i:Nb-O, expected Nb19O49 to be Nb2O5" +mp-581967,Nb2O5,-9.4545502897,-3.0351140559,0.0,-0.0675051364,GGA,P2,A2B5_mP98_3_ab13e_ad34e:Nb-O,98.0,"Invalid WP multiplicities - A2B5_mP98_3_ab25e_ac67e:Nb-O, expected Nb13O34 to be Nb2O5" +mp-10426,Nb2O5,-9.11256804,-2.6931318063000003,0.3419822497,0.2744771132,GGA,C2,A2B5_mC14_5_c_a2c:Nb-O,7.0,"Invalid WP multiplicities - A2B5_mC14_5_c_a3c:Nb-O, expected Nb2O7 to be Nb2O5" +mp-1101660,Nb2O5,-9.3943627614,-2.9749265277,0.0601875283,-0.0073176082,GGA,P2_1/m,A2B5_mP14_11_2e_5e:Nb-O,14.0,"Invalid WP multiplicities - A2B5_mP14_11_3e_9e:Nb-O, expected NbO3 to be Nb2O5" +mp-1595,Nb2O5,-9.4470127414,-3.0275765077,0.0075375483,-0.0599675882,GGA,C2/m,A2B5_mC14_12_i_a2i:Nb-O,7.0,A2B5_mC14_12_i_a2i:Nb-O +mp-1201852,Nb2O5,-9.4490441489,-3.0296079152,0.0055061408,-0.0619989957,GGA,C2/m,A2B5_mC112_12_8i_20i:Nb-O,56.0,A2B5_mC112_12_8i_20i:Nb-O +mp-604,Nb2O5,-9.4379156121,-3.0184793784,0.0166346776,-0.0508704589,GGA,C2/c,A2B5_mC28_15_f_e2f:Nb-O,14.0,A2B5_mC28_15_f_e2f:Nb-O +mp-776896,Nb2O5,-9.3953289639,-2.9758927302,0.0592213258,-0.0082838107,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:Nb-O,28.0,"Invalid WP multiplicities - A2B5_oP28_19_5a_17a:Nb-O, expected Nb5O17 to be Nb2O5" +mp-556048,Nb2O5,-9.4480157234,-3.0285794896,0.0065345663,-0.0609705701,GGA,I4/mmm,A2B5_tI112_139_2il_2h2j3l:Nb-O,56.0,"Invalid WP multiplicities - A2B5_tI112_139_5i5l_8h8j19l:Nb-O, expected Nb5O18 to be Nb2O5" +mp-1220361,NbO3,-8.7026113225,-2.4672685291,0.1884562699,0.1884562699,GGA,P4mm,AB3_tP4_99_a_ac:Nb-O,4.0,"Invalid WP multiplicities - AB3_tP4_99_a_a2c:Nb-O, expected NbO5 to be NbO3" +mp-1186241,NbO3,-7.8825675675,-1.6472247741,1.0085000249,1.0085000249,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-O,8.0,AB3_hP8_194_c_h:Nb-O +mp-1179977,NbO3,-8.695701795,-2.4603590016,0.1953657974,0.1953657974,GGA,Im-3,AB3_cI32_204_c_g:Nb-O,16.0,AB3_cI32_204_c_g:Nb-O +mp-28212,Nb4O5,-9.705673195,-2.4680438932,0.0236462886,0.0236462886,GGA,P4_2/nmc,A4B5_tP18_137_g_af:Nb-O,18.0,"Invalid WP multiplicities - A4B5_tP18_137_g_2a2f:Nb-O, expected Nb2O5 to be Nb4O5" +mp-634965,NbO,-8.988288045000001,-1.4642911694,0.8240059083,0.7569483345,GGA,P4/mmm,AB_tP2_123_a_b:Nb-O,2.0,AB_tP2_123_a_b:Nb-O +mp-2311,NbO,-9.8122939533,-2.2882970777,0.0,-0.0670575738,GGA,Pm-3m,AB_cP6_221_c_d:Nb-O,6.0,AB_cP6_221_c_d:Nb-O +mp-2692,NbO,-9.023533545,-1.4995366694,0.7887604083,0.7217028345000001,GGA,Fm-3m,AB_cF8_225_a_b:Nb-O,2.0,AB_cF8_225_a_b:Nb-O +mp-1212164,Hg3(SeF)2,-2.7159075443000003,-1.0407901178,0.0,-0.0307337039,GGA,I2_13,A2B3C2_cI28_199_a_b_a:F-Hg-Se,14.0,A2B3C2_cI28_199_a_b_a:F-Hg-Se +mp-1206909,CaBPd3,-5.405218258,-0.5602908418,0.0,-0.0415276976,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ca-Pd,5.0,ABC3_cP5_221_b_a_c:B-Ca-Pd +mp-866165,YMgRh2,-6.3855838,-0.6867420742,0.0,-0.0283056375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Y +mp-1207807,Y4MgRh,-6.1983660521,-0.3932873232,0.0,-0.0182345775,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Rh-Y,24.0,ABC4_cF96_216_e_e_efg:Mg-Rh-Y +mp-973674,HgN,-2.90463562,1.415452025,1.415452025,1.415452025,GGA,P6_3mc,AB_hP4_186_b_b:Hg-N,4.0,AB_hP4_186_b_b:Hg-N +mp-1077346,Hg2N,-2.2577659167,0.7235193017,0.7235193017,0.7235193017,GGA,Fd-3m,A2B_cF24_227_c_a:Hg-N,6.0,A2B_cF24_227_c_a:Hg-N +mp-636839,HgN3,-6.0338415175,0.2944497675,0.2944497675,0.2944497675,GGA,P2_1/c,AB3_mP16_14_e_3e:Hg-N,16.0,"Invalid WP multiplicities - AB3_mP16_14_e_9e:Hg-N, expected HgN9 to be HgN3" +mp-1207010,HgN2,-3.0510464283,2.6078436433,2.6078436433,2.6078436433,GGA,Fd-3m,AB2_cF24_227_a_c:Hg-N,6.0,AB2_cF24_227_a_c:Hg-N +mp-1217880,Ti16Hg4N5,-6.2372112236,0.5317915105000001,1.4273337548,1.4273337548,GGA,P4/mmm,A4B5C16_tP25_123_2g_c2h_abe2g2i:Hg-N-Ti,25.0,"Invalid WP multiplicities - A4B5C16_tP25_123_3g_c3h_ab2e3g6i:Hg-N-Ti, expected Ti36Hg6N7 to be Ti16Hg4N5" +mp-569461,HgN6,-6.8243648404,0.3645851475,0.3645851475,0.3645851475,GGA,Pca2_1,AB6_oP28_29_a_6a:Hg-N,28.0,AB6_oP28_29_a_6a:Hg-N +mp-1193871,HgN6,-6.8244038054,0.3645461825,0.3645461825,0.3645461825,GGA,Iba2,AB6_oI56_45_c_6c:Hg-N,28.0,AB6_oI56_45_c_6c:Hg-N +mp-1100414,VSiRh,-7.81565274,-0.5244754167,0.12382213,0.12382213,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Si-V,3.0,ABC_cF12_216_c_a_b:Rh-Si-V +mp-636953,V6Si7Ni16,-6.8285959703,-0.4505666769,0.0126813573,0.0126813573,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ni-Si-V,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_9f_a2d_e:Ni-Si-V, expected V6Si13Ni72 to be V6Si7Ni16" +mp-504625,V3SiNi2,-7.6657157879,-0.2928308546,0.0949012589,0.0949012589,GGA,Fd-3m,A2BC3_cF96_227_e_c_f:Ni-Si-V,24.0,A2BC3_cF96_227_e_c_f:Ni-Si-V +mp-1216307,VSiNi,-7.1650558417,-0.4019355817,0.16180707,0.1224119578,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ni-Si-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ni-Si-V, expected V3(SiNi)2 to be VSiNi" +mp-1095532,VSiNi,-7.3268629117,-0.5637426517,0.0,-0.0393951122,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-V,12.0,ABC_oP12_62_c_c_c:Ni-Si-V +mp-1222954,LaLuC3,-7.579055663,-0.1504648425,0.1140518377,0.1140518377,GGA,I2_13,A3BC_cI40_199_2b_a_a:C-La-Lu,20.0,"Invalid WP multiplicities - A3BC_cI40_199_6b_a_a:C-La-Lu, expected LaLuC9 to be LaLuC3" +mp-19818,Dy3PbC,-5.89106458,-0.5387299635,0.0,-0.1141666736,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Dy-Pb,5.0,AB3C_cP5_221_b_c_a:C-Dy-Pb +mp-10275,Er3InC,-3.528453038,1.6082480925,1.96854864,1.96854864,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Er-In,5.0,AB3C_cP5_221_a_c_b:C-Er-In +mp-22087,TaRu3C,-9.858502362,-0.0765722135,0.153559606,0.153559606,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Ta,5.0,AB3C_cP5_221_b_c_a:C-Ru-Ta +mp-1208639,SrC,-4.188899935,1.2701795379,1.2946384331,1.2946384331,GGA,Fm-3m,AB_cF8_225_a_b:C-Sr,2.0,AB_cF8_225_a_b:C-Sr +mp-10497,SrC2,-6.69534211,0.0202660361,0.0528778963,0.0528778963,GGA,C2/c,A2B_mC12_15_f_e:C-Sr,6.0,A2B_mC12_15_f_e:C-Sr +mp-2630,SrC2,-6.68668097,0.0289271761,0.0615390363,0.0615390363,GGA,I4/mmm,A2B_tI6_139_e_a:C-Sr,3.0,A2B_tI6_139_e_a:C-Sr +mp-1008776,SrC2,-6.5467180633,0.1688900828,0.201501943,0.201501943,GGA,R-3m,A2B_hR9_166_c_a:C-Sr,3.0,A2B_hR9_166_c_a:C-Sr +mp-1218401,SrC2,-4.09426801,2.6213401361,2.6539519963,2.6539519963,GGA,R-3m,A2B_hR9_166_c_a:C-Sr,3.0,A2B_hR9_166_c_a:C-Sr +mp-28905,SrC20,-8.5999888992,0.269668401,0.2836449125,0.2836449125,GGA,Pm-3,A20B_cP126_200_jk4l_f:C-Sr,126.0,A20B_cP126_200_jk4l_f:C-Sr +mp-1103990,EuC6,-9.4405221493,-0.06495147,0.0,-0.056779035,GGA,P6_3/mmc,A6B_hP14_194_i_c:C-Eu,14.0,A6B_hP14_194_i_c:C-Eu +mp-17674,SrC10,-8.3347277145,0.2085585017,0.2352409327,0.2352409327,GGA,Im-3,A10B_cI132_204_g2h_e:C-Sr,66.0,A10B_cI132_204_g2h_e:C-Sr +mp-1218305,SrEuC4,-8.123229115000001,0.0202970889,0.0708148989,0.0708148989,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Eu-Sr,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_a_c:C-Eu-Sr, expected SrEuC6 to be SrEuC4" +mp-1077301,EuC2,-9.5905132767,-0.019069015,0.031448795,0.031448795,GGA,C2/c,A2B_mC12_15_f_e:C-Eu,6.0,A2B_mC12_15_f_e:C-Eu +mp-1018177,EuC2,-9.5879464533,-0.0165021917,0.0340156183,0.0340156183,GGA,I4/mmm,A2B_tI6_139_e_a:C-Eu,3.0,A2B_tI6_139_e_a:C-Eu +mp-581000,EuC10,-9.1101449348,0.2120056765,0.2533384302,0.2533384302,GGA,Im-3,A10B_cI132_204_g2h_e:C-Eu,66.0,"Invalid WP multiplicities - A10B_cI132_204_11g28h_e:C-Eu, expected EuC134 to be EuC10" +mp-1182736,EuC10,-8.6903104276,0.6318401838000001,0.6731729374000001,0.6731729374000001,GGA,Im-3,A10B_cI132_204_g2h_e:C-Eu,66.0,A10B_cI132_204_g2h_e:C-Eu +mp-1208630,SrC6,-8.19357045,-0.0419295345,0.0,-0.0419295345,GGA,P6_3/mmc,A6B_hP14_194_i_c:C-Sr,14.0,A6B_hP14_194_i_c:C-Sr +mp-1183628,CdC,-3.085312815,1.9904648112,1.9904648112,1.9904648112,GGA,P6_3/mmc,AB_hP4_194_c_d:C-Cd,4.0,AB_hP4_194_c_d:C-Cd +mp-1006882,CdC,-2.96719848,2.1085791462,2.1085791462,2.1085791462,GGA,F-43m,AB_cF8_216_a_c:C-Cd,2.0,AB_cF8_216_a_c:C-Cd +mp-1006887,CdC,-3.085669305,1.9901083212,1.9901083212,1.9901083212,GGA,Fm-3m,AB_cF8_225_a_b:C-Cd,2.0,AB_cF8_225_a_b:C-Cd +mp-9961,Ti2CdC,-7.0220419887,-0.5364071673,0.0,-0.0540214406,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Cd-Ti,8.0,ABC2_hP8_194_a_c_f:C-Cd-Ti +mp-1183622,Cd3C,-1.7792660775,1.2200676156,1.2200676156,1.2200676156,GGA,Pm-3m,AB3_cP4_221_a_c:C-Cd,4.0,AB3_cP4_221_a_c:C-Cd +mp-1096477,Y2TlPb,-2.9328482125,1.8192098983,2.2949015312,2.2949015312,GGA,Immm,ABC2_oI8_71_a_b_e:Pb-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Pb-Tl-Y +mp-1096487,MnTc2W,-6.7102371925,4.0001186605,4.0001186605,4.0001186605,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Tc-W,4.0,AB2C_oI8_71_a_e_b:Mn-Tc-W +mp-1208794,Sr2TlI5,-3.3466997469,-1.7081420215,0.0127837837,0.0127837837,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:I-Sr-Tl,32.0,A5B2C_mP32_14_5e_2e_e:I-Sr-Tl +mp-1183438,Ba3Ce,-2.621993595,0.3005098987,0.3005098987,0.3005098987,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Ce,4.0,A3B_tI8_139_ad_b:Ba-Ce +mp-1183563,Ba3Ce,-2.6203366888,0.302166805,0.302166805,0.302166805,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Ce,8.0,A3B_hP8_194_h_c:Ba-Ce +mp-985290,BaCe,-3.507650335,0.4183817125,0.4183817125,0.4183817125,GGA,P-6m2,AB_hP2_187_a_d:Ba-Ce,2.0,AB_hP2_187_a_d:Ba-Ce +mp-1183525,BaCe3,-4.5648376562,0.364722945,0.364722945,0.364722945,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Ce,8.0,AB3_hP8_194_c_h:Ba-Ce +mp-4887,BaCeN2,-7.36027853,-1.2290150438,0.0,-0.0699331879,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ba-Ce-N,8.0,ABC2_hP8_194_c_a_f:Ba-Ce-N +mp-29584,K4BeAs2,-2.9087857371,-0.4088935281,0.0,-0.0906900348,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Be-K,7.0,A2BC4_hR21_166_c_a_2c:As-Be-K +mp-1184861,K3Be,-1.1116110175,0.6560414090000001,0.6560414090000001,0.6560414090000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Be-K,4.0,AB3_cF16_225_a_bc:Be-K +mp-1188388,Er6NiI10,-4.2593002318,-1.4404700529,0.0,-0.0727394615,GGA,P-1,A6B10C_aP17_2_3i_5i_a:Er-I-Ni,17.0,A6B10C_aP17_2_3i_5i_a:Er-I-Ni +mp-865471,VGaTc2,-8.446050505,-0.2377305094,0.0,-0.0049689225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Tc-V,4.0,AB2C_cF16_225_a_c_b:Ga-Tc-V +mp-1211505,LiUBr4,-5.0255340956,-1.7901263961,0.0062402069,0.0062402069,GGA,P-31m,A4BC_hP18_162_2k_ad_bc:Br-Li-U,18.0,A4BC_hP18_162_2k_ad_bc:Br-Li-U +mp-675872,Li2UBr6,-4.5440882194,-1.8299298057,0.0290638328,0.021409185,GGA,P2,A6B2C_mP36_3_12e_2ab3c2d_2a2b:Br-Li-U,36.0,"Invalid WP multiplicities - A6B2C_mP36_3_23e_2a2b3cd_2a2d:Br-Li-U, expected Li4U2Br23 to be Li2UBr6" +mp-676450,Li2UBr6,-4.5094127752,-1.7952543615,0.063739277,0.0560846293,GGA,C2,A6B2C_mC54_5_9c_3c_2ab:Br-Li-U,27.0,"Invalid WP multiplicities - A6B2C_mC54_5_18c_5c_2ab:Br-Li-U, expected Li10(UBr12)3 to be Li2UBr6" +mp-1222748,Li2UBr6,-4.5731520522,-1.8589936385,0.0,-0.0076546478,GGA,P-31m,A6B2C_hP9_162_k_c_a:Br-Li-U,9.0,A6B2C_hP9_162_k_c_a:Br-Li-U +mp-675438,Li2UBr6,-4.5716338111,-1.8574753974,0.0015182411,-0.0061364067,GGA,P-31c,A6B2C_hP36_163_2i_acf_bd:Br-Li-U,36.0,"Invalid WP multiplicities - A6B2C_hP36_163_7i_ac2f_bd:Br-Li-U, expected Li3UBr21 to be Li2UBr6" +mp-531472,Li2UBr6,-4.5613033287,-1.847144915,0.0118487235,0.0041940757,GGA,P-31c,A6B2C_hP54_163_3i_cdef_af:Br-Li-U,54.0,"Invalid WP multiplicities - A6B2C_hP54_163_35i_2c2de2f_2af:Br-Li-U, expected Li5U2Br105 to be Li2UBr6" +mp-1223047,Li2UBr6,-4.5698067933,-1.8556483796,0.0033452589,-0.0043093889,GGA,P-31c,A6B2C_hP18_163_i_ac_d:Br-Li-U,18.0,"Invalid WP multiplicities - A6B2C_hP18_163_i_2ac_d:Br-Li-U, expected Li3UBr6 to be Li2UBr6" +mp-1185249,LiU,-6.25980653,0.3403599083,0.3403599083,0.3403599083,GGA,P-6m2,AB_hP2_187_a_d:Li-U,2.0,AB_hP2_187_a_d:Li-U +mp-29520,LiAuI4,-2.5758188492,-0.7297738047,0.0,-0.1275484267,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Au-I-Li,12.0,AB4C_mP12_14_a_2e_d:Au-I-Li +mp-9159,Li4NpO5,-7.314337584,-2.7826461136,0.0,-0.317274692,GGA,I4/m,A4BC5_tI20_87_h_a_bh:Li-Np-O,10.0,A4BC5_tI20_87_h_a_bh:Li-Np-O +mp-1191681,Eu2Co12P7,-7.5411167481,-0.6979293821,0.0,-0.0221516169,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Eu-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Eu-P +mp-583224,EuCo8P5,-7.4200882589,-0.6922270665,0.0,-0.0293354506,GGA,Pmmn,A8BC5_oP28_59_ab3e_a_a2e:Co-Eu-P,28.0,"Invalid WP multiplicities - A8BC5_oP28_59_2a2b11e_a_2a8e:Co-Eu-P, expected Eu(Co13P9)2 to be EuCo8P5" +mp-20038,Eu(CoP)2,-7.960079308,-0.9000308273000001,0.0,-0.097714218,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Eu-P,5.0,A2BC2_tI10_139_d_a_e:Co-Eu-P +mp-1096325,YTlHg2,-1.1304742625,1.228644485,1.5536695242,1.5536695242,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Tl-Y,4.0,A2BC_oI8_71_e_a_b:Hg-Tl-Y +mp-1097249,Y2TlHg,-2.0813241825,1.8184922521,2.266573585,2.2610331375,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Tl-Y +mp-1187722,Y2TlHg,-4.3478977675,-0.4480813329,0.0,-0.0055404475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Tl-Y,4.0,ABC2_cF16_225_a_b_c:Hg-Tl-Y +mp-10105,UTeAs,-7.1667825283,-0.8021710922,0.0286800717,0.00687176,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Te-U,6.0,ABC_tP6_129_a_c_c:As-Te-U +mp-4895,UTeAs,-7.1954626,-0.8308511639,0.0,-0.0218083117,GGA,I4/mmm,ABC_tI12_139_c_e_e:As-Te-U,6.0,ABC_tI12_139_c_e_e:As-Te-U +mp-11282,Be2W,-7.115910645,-0.3035919917,0.0,-0.228399725,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Be-W,12.0,A2B_hP12_194_ah_f:Be-W +mp-568827,Be12W,-4.5526573392,-0.1041123692,0.0,-0.0326125033,GGA,I4/mmm,A12B_tI26_139_fij_a:Be-W,13.0,"Invalid WP multiplicities - A12B_tI26_139_4f4i3j_a:Be-W, expected Be44W to be Be12W" +mp-30444,Be22W,-4.1814536435,-0.04122698,0.0176191417,0.0176191417,GGA,Fd-3m,A22B_cF184_227_cdfg_a:Be-W,46.0,A22B_cF184_227_cdfg_a:Be-W +mp-1214511,Be13W,-3.4391355414,0.9587571354,1.0554329068,1.0554329068,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-W,56.0,A13B_cF224_227_ab2g_c:Be-W +mp-1215017,Be13W,-3.5311142559,0.8667784209,0.9634541923,0.9634541923,GGA,Fd-3m,A13B_cF224_227_ab2g_c:Be-W,56.0,A13B_cF224_227_ab2g_c:Be-W +mp-1096665,BeFe2W,-4.7187418875,3.6906544912,3.8132273603,3.8132273603,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Fe-W,4.0,AB2C_oI8_71_a_e_b:Be-Fe-W +mp-1093732,TaVOs2,-6.6361408525000005,4.2129637875,4.4707652676,4.4707652676,GGA,Immm,A2BC_oI8_71_e_a_b:Os-Ta-V,4.0,A2BC_oI8_71_e_a_b:Os-Ta-V +mp-864670,Ta2VOs,-11.338815265,-0.332108075,0.0,-0.0377390533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Ta-V,4.0,AB2C_cF16_225_a_c_b:Os-Ta-V +mp-867861,SmYMg2,-3.7029573025,-0.1065529654,0.0,-0.0013540825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Mg-Sm-Y +mp-10135,YbBPd3,-5.409570842,-0.6578417458,0.0,-0.0569160116,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Yb,,AB3C_cP5_221_b_c_a:B-Pd-Yb +mp-1246730,Co2Ge5N8,-6.8620827249000005,0.0728328928,0.2797094791,0.2797094791,GGA,Pbca,A2B5C8_oP120_61_2c_5c_8c:Co-Ge-N,120.0,A2B5C8_oP120_61_2c_5c_8c:Co-Ge-N +mp-1247269,CoGe7N10,-6.8382031519,-0.0140663725,0.2166711656,0.2166711656,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Co-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Co-Ge-N +mp-1247382,Co3Ge6N11,-6.5836916007,0.4545366338,0.6501482083,0.6501482083,GGA,P4bm,A3B6C11_tP40_100_ac_cd_bc2d:Co-Ge-N,40.0,A3B6C11_tP40_100_ac_cd_bc2d:Co-Ge-N +mp-1246231,CoGeN2,-7.0908841475,0.0101997275,0.1812848863,0.1812848863,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Co-Ge-N,16.0,ABC2_oP16_33_a_a_2a:Co-Ge-N +mp-1246968,CoGeN2,-7.0509985825,0.0500852925,0.2211704513,0.2211704513,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Co-Ge-N,64.0,ABC2_oP64_61_2c_2c_4c:Co-Ge-N +mp-1246480,CoGeN2,-6.641778485,0.45930539,0.6303905488,0.6303905488,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Co-Ge-N,8.0,ABC2_hP8_194_a_c_f:Co-Ge-N +mp-1246852,Co4GeN4,-7.188747505,0.1892834656,0.3007162452,0.3007162452,GGA,Pnna,A4BC4_oP36_52_cde_c_2e:Co-Ge-N,36.0,A4BC4_oP36_52_cde_c_2e:Co-Ge-N +mp-1247510,Co5(GeN3)2,-7.0149312931,0.2778851865,0.4076725444,0.4076725444,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Co-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Co-Ge-N +mp-1245898,Co7GeN6,-7.3027066495,0.1544520627,0.2488413054,0.2488413054,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Co-Ge-N,56.0,A7BC6_oP56_60_c3d_c_3d:Co-Ge-N +mp-1200053,LuFe5P3,-7.7645796647,-0.7522503214,0.0,-0.0061760938,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Fe-Lu-P,36.0,A5BC3_oP36_62_5c_c_3c:Fe-Lu-P +mp-1192008,Lu2Fe12P7,-7.7988521343,-0.7238391292,0.0,-0.0135793617,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Lu-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Lu-P +mp-1207437,Zr9Re4O3,-10.1465876122,-1.2998700782,0.0,-0.018893402,GGA,P6_3/mmc,A3B4C9_hP32_194_g_ah_hk:O-Re-Zr,32.0,A3B4C9_hP32_194_g_ah_hk:O-Re-Zr +mp-27812,RbTiI3,-3.881694807,-1.2224697792,0.0670676894,0.0670676894,GGA,P6_3cm,A3BC_hP30_185_cd_c_ab:I-Rb-Ti,30.0,A3BC_hP30_185_cd_c_ab:I-Rb-Ti +mp-37808,Sc(TiN)9,-9.8809635016,-1.8588397342,0.0,-0.0136893947,GGA,P-1,A9BC9_aP19_2_f4i_a_c4i:N-Sc-Ti,19.0,"Invalid WP multiplicities - A9BC9_aP19_2_f6i_a_c7i:N-Sc-Ti, expected ScTi15N13 to be Sc(TiN)9" +mp-1104290,Ti3H3Au,-5.7527880114,-0.4472828421,0.0825820738,0.0825820738,GGA,Pm-3n,AB3C3_cP14_223_a_c_d:Au-H-Ti,14.0,AB3C3_cP14_223_a_c_d:Au-H-Ti +mp-1209889,NdHfF7,-7.4288187028,-4.3059643433,0.0001716411,0.0001716411,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Nd,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Nd +mp-1209873,NdHf2F11,-7.5199269975,-4.2550131307,0.0,-0.0129109069,GGA,Ibam,A11B2C_oI56_72_cj2k_j_b:F-Hf-Nd,28.0,A11B2C_oI56_72_cj2k_j_b:F-Hf-Nd +mp-865495,V2CrTc,-9.78714385,-0.2417692113,0.0,-0.0347871625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Tc-V,4.0,ABC2_cF16_225_a_b_c:Cr-Tc-V +mp-1245958,Sr7RuN6,-5.685727002,-0.6057394117,0.0826339466,0.0826339466,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Ru-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Ru-Sr +mp-1029750,Sr3RuN3,-6.31046673,-0.6886999193000001,0.0,-0.0620613664,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Ru-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Ru-Sr +mp-1246744,SrRuN2,-7.30090977,-0.3916883092,0.158792155,0.158792155,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Ru-Sr,16.0,A2BC_mP16_14_2e_e_e:N-Ru-Sr +mp-1246298,Sr4RuN4,-6.0663268706,-0.5798428646,0.1122854611,0.1122854611,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Ru-Sr,18.0,A4BC4_aP18_2_4i_i_4i:N-Ru-Sr +mp-1246799,Sr4RuN4,-6.0142092275,-0.5277252216,0.1644031042,0.1644031042,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:N-Ru-Sr,36.0,A4BC4_oP36_62_4c_c_4c:N-Ru-Sr +mp-1245855,Sr2RuN2,-6.460918734,-0.5956428747,0.0471437167,0.0471437167,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Ru-Sr,5.0,A2BC2_tI10_139_e_a_e:N-Ru-Sr +mp-1246460,Sr2RuN3,-6.8514825229,-0.5743368193,0.0604779032,0.0604779032,GGA,C2/c,A3BC2_mC48_15_2e2f_f_2f:N-Ru-Sr,24.0,A3BC2_mC48_15_2e2f_f_2f:N-Ru-Sr +mp-1246526,Sr3(RuN2)2,-6.7541977961,-0.4249461139,0.176815532,0.176815532,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Ru-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Ru-Sr +mp-1245671,Sr3(RuN2)2,-6.8016384786,-0.4723867964,0.1293748495,0.1293748495,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Ru-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Ru-Sr +mp-1247140,Sr5(RuN3)2,-6.5464752496,-0.6222258729,0.0416039555,0.0416039555,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Ru-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Ru-Sr +mp-1246985,Sr3Ru3N5,-7.1706730482,-0.3912037205,0.1552335697,0.1552335697,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Ru-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Ru-Sr +mp-1246545,SrRu7N10,-8.2272450656,0.1047138502,0.2984511025,0.2984511025,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Ru-Sr,36.0,A10B7C_mP36_7_10a_7a_a:N-Ru-Sr +mp-1183431,BeOsO3,-6.70831386,-0.7469445742,1.301001645,1.301001645,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Os,5.0,AB3C_cP5_221_b_c_a:Be-O-Os +mp-1232276,PmS2,-6.4187872325,-2.0776398804,0.0,-0.1423842272,GGA,P2_1/c,AB2_mP12_14_e_2e:Pm-S,12.0,AB2_mP12_14_e_2e:Pm-S +mp-1232271,PmS2,-6.3460285633,-2.0048812112,0.0727586692,-0.069625558,GGA,P4/nmm,AB2_tP6_129_c_ac:Pm-S,6.0,AB2_tP6_129_c_ac:Pm-S +mp-1232267,PmS2,-4.8599691717,-0.5188218196000001,1.5588180608000002,1.4164338336,GGA,Fd-3m,AB2_cF24_227_a_d:Pm-S,6.0,AB2_cF24_227_a_d:Pm-S +mp-1185578,Mg149S,-1.6486873313,-0.0314994826,0.0,-0.0091321055,GGA,P-6m2,A149B_hP150_187_agh4j4k2l2m8n4o_d:Mg-S,150.0,"Invalid WP multiplicities - A149B_hP150_187_a2g2h8j8k6l4m16n8o_d:Mg-S, expected Mg309S to be Mg149S" +mp-1185953,MgS2,-4.45127936,-1.1602194321,0.0049176767,-0.0418505777,GGA,Cmc2_1,AB2_oC12_36_a_2a:Mg-S,6.0,"Invalid WP multiplicities - AB2_oC12_36_a_4a:Mg-S, expected MgS4 to be MgS2" +mp-1185959,MgS2,-4.4561970367,-1.1651371087,0.0,-0.0467682544,GGA,R-3m,AB2_hR9_166_a_c:Mg-S,3.0,AB2_hR9_166_a_c:Mg-S +mp-1232239,PmS,-6.4897168050000005,-2.0462207103,0.237989215,-0.1109650571,GGA,I4/mmm,AB_tI8_139_e_e:Pm-S,4.0,AB_tI8_139_e_e:Pm-S +mp-1232235,PmS,-6.72770602,-2.2842099253,0.0,-0.3489542721,GGA,Fm-3m,AB_cF8_225_a_b:Pm-S,2.0,AB_cF8_225_a_b:Pm-S +mp-1232288,PmMgS3,-5.29014272,-1.5381083254,0.3794969155,0.3794969155,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pm-S,10.0,ABC3_mC20_12_g_i_ij:Mg-Pm-S +mp-1232287,Pm2MgS4,-5.9135553468,-1.9639604664,0.1741310311,0.1741310311,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Pm-S,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Pm-S +mp-1232275,Pm2MgS4,-6.0832973488,-2.1337024684,0.0043890291,0.0043890291,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Pm-S,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Pm-S +mp-1232264,Pm2MgS4,-6.0213498239,-2.0717549436,0.0663365539,0.0663365539,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Pm-S,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Pm-S +mp-1232272,Pm2MgS4,-6.0772561257,-2.1276612454,0.0104302521,0.0104302521,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Pm-S,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Pm-S +mp-1232331,Pm2MgS4,-5.9114143832,-1.9618195029,0.1762719946,0.1762719946,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Pm-S,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Pm-S +mp-1232392,Pm2MgS4,-6.0424773936,-2.0928825132,0.0452089843,0.0452089843,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Pm-S,14.0,AB2C4_tI28_122_a_d_e:Mg-Pm-S +mp-1232294,Pm2MgS4,-6.050227541,-2.1006326606,0.0374588369,0.0374588369,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Pm-S,112.0,AB2C4_cF56_227_a_d_e:Mg-Pm-S +mp-1186638,PmS3,-5.473603615,-1.1836306342,0.3745992761,0.3745992761,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pm-S,8.0,AB3_hP8_194_c_h:Pm-S +mp-1185949,MgS3,-4.270432735,-0.7680253223,0.1058275092,0.1058275092,GGA,Pmm2,AB3_oP4_25_a_bcd:Mg-S,4.0,AB3_oP4_25_a_bcd:Mg-S +mp-863259,Pm2S3,-6.7043936330000005,-2.3223067839,0.0,-0.1620388855,GGA,R-3c,A2B3_hR30_167_c_e:Pm-S,10.0,A2B3_hR30_167_c_e:Pm-S +mp-1185942,MgS,-4.538903585,-1.6705386266,0.007014655,-0.7916736456,GGA,P6_3mc,AB_hP4_186_b_b:Mg-S,4.0,AB_hP4_186_b_b:Mg-S +mp-13032,MgS,-4.530114815,-1.6617498566000002,0.015803425,-0.7828848756,GGA,F-43m,AB_cF8_216_a_c:Mg-S,2.0,AB_cF8_216_a_c:Mg-S +mp-1315,MgS,-4.54591824,-1.6775532816,0.0,-0.7986883006000001,GGA,Fm-3m,AB_cF8_225_a_b:Mg-S,2.0,AB_cF8_225_a_b:Mg-S +mp-1078074,UGa5Pt,-5.08557018,-0.4422811168,0.0,-0.0564378071,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Pt-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Pt-U +mp-1080077,UGaPt,-7.4338197611,-0.6369399769,0.0,-0.1317229346,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Pt-U,9.0,ABC_hP9_189_f_bc_g:Ga-Pt-U +mp-1199505,U4Ga20Pt11,-5.515202984,-0.5863450694,0.0,-0.0024053017,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:Ga-Pt-U,35.0,A20B11C4_mC70_12_10i_a5i_2i:Ga-Pt-U +mp-1189927,EuZrS3,-8.33156139,-2.0887509839,0.0,-0.016404076,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-S-Zr,20.0,AB3C_oP20_62_c_cd_a:Eu-S-Zr +mp-1189832,Eu5(ZrS4)3,-8.4369868225,-2.1087113579,0.0,-0.027010067,GGA,P-62m,A5B12C3_hP20_189_cf_2fk_g:Eu-S-Zr,20.0,A5B12C3_hP20_189_cf_2fk_g:Eu-S-Zr +mp-1080442,UGaPd,-6.8829871567000005,-0.3831912092,0.0585611842,0.0585611842,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Pd-U,9.0,ABC_hP9_189_f_bc_g:Ga-Pd-U +mp-20899,UGa3Pd2,-5.5807862033,-0.4582092538,0.0415339214,0.0415339214,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ga-Pd-U,6.0,A3B2C_hP6_191_g_c_a:Ga-Pd-U +mp-1201459,U4Ga20Pd11,-5.0953953534,-0.4466450563,0.0593358351,0.0593358351,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:Ga-Pd-U,35.0,A20B11C4_mC70_12_10i_a5i_2i:Ga-Pd-U +mp-1190048,UGaPd2,-6.6182403719,-0.4484229588,0.0633143102,0.0633143102,GGA,Pnma,AB2C_oP16_62_c_d_c:Ga-Pd-U,16.0,AB2C_oP16_62_c_d_c:Ga-Pd-U +mp-641564,U4Ga12Pd,-5.4020778176,-0.3030969871,0.0,-0.0185661063,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pd-U,17.0,"Invalid WP multiplicities - A12BC4_cI34_229_3d3e_a_c:Ga-Pd-U, expected U4Ga36Pd to be U4Ga12Pd" +mp-669387,Sr2P6Rh7,-6.715268443,-0.8880046406000001,0.0,-0.0225797191,GGA,P-42_1m,A6B7C2_tP30_113_ef_aef_e:P-Rh-Sr,30.0,"Invalid WP multiplicities - A6B7C2_tP30_113_4e5f_2a3e3f_e:P-Rh-Sr, expected Sr(P7Rh5)2 to be Sr2P6Rh7" +mp-8581,Sr(PRh)2,-6.38525964,-0.9363167987,0.0,-0.0264052719,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Rh-Sr,5.0,A2B2C_tI10_139_e_d_a:P-Rh-Sr +mp-1222943,LaCeC4,-8.0995478767,-0.1355881717,0.0510524227,0.0510524227,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Ce-La,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_a_c:C-Ce-La, expected LaCeC6 to be LaCeC4" +mp-1216437,V6GeOs,-9.1225992225,-0.3283702594,0.0169482444,0.0169482444,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ge-Os-V,8.0,ABC6_cP8_200_a_b_f:Ge-Os-V +mp-30532,Tl2ZnI4,-2.5980770314,-0.901149131,0.0,-0.0009561004,GGA,P2_1,A4B2C_mP14_4_4a_2a_a:I-Tl-Zn,14.0,A4B2C_mP14_4_4a_2a_a:I-Tl-Zn +mp-1207644,Yb2ReC2,-6.892814179,-0.096599233,0.0,-0.0159558113,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Re-Yb,,A2BC2_oP20_62_2c_c_2c:C-Re-Yb +mp-1207515,YbReB4,-7.2586965367,-0.4750794453,0.0,-0.0656269121,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Re-Yb,,A4BC_oP24_55_4h_g_g:B-Re-Yb +mp-1192470,Pr6Mg23C,-2.5888931163,-0.0982084106,0.0061572428,0.0061572428,GGA,Fm-3m,AB23C6_cF120_225_a_bd2f_e:C-Mg-Pr,30.0,AB23C6_cF120_225_a_bd2f_e:C-Mg-Pr +mp-570857,Y(AlCl4)3,-4.6643375698,-2.1714851621,0.0,-0.0111114601,GGA,P3_112,A3B12C_hP48_151_ac_6c_b:Al-Cl-Y,48.0,"Invalid WP multiplicities - A3B12C_hP48_151_3a3c_32c_b:Al-Cl-Y, expected YAl9Cl64 to be Y(AlCl4)3" +mp-1194657,Th(Al10V)2,-4.5789585298,-0.2096895302,0.0,-0.039305207,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Th-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-Th-V +mp-1187060,Th3V,-7.474755615,0.35661459,0.35661459,0.35661459,GGA,P6_3/mmc,A3B_hP8_194_h_c:Th-V,8.0,A3B_hP8_194_h_c:Th-V +mp-7305,SmZrF7,-7.187305415,-4.2265676886,0.0023492497,-0.0268387953,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Sm-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Sm-Zr +mp-18506,SmZrF7,-7.1896546647,-4.2289169383,0.0,-0.029188045,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sm-Zr,36.0,A7BC_mP36_14_7e_e_e:F-Sm-Zr +mp-1220651,Nd2Mn17C2,-8.773871351,-0.0239720264,0.0213381157,0.0213381157,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Mn-Nd,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i4j_i:C-Mn-Nd, expected Nd2Mn29C2 to be Nd2Mn17C2" +mp-1210168,Nd12(MnC3)5,-7.7685679819,-0.2230108557,0.0,-0.0859059516,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Nd,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Nd +mp-1220644,Nd2Mn22C3,-8.8701025059,-0.0261533293,0.0263185763,0.0263185763,GGA,C2/m,A3B22C2_mC54_12_ae_bcfi4j_i:C-Mn-Nd,27.0,"Invalid WP multiplicities - A3B22C2_mC54_12_af_bcei8j_i:C-Mn-Nd, expected Nd2Mn38C3 to be Nd2Mn22C3" +mp-1097684,MnV2Mo,-5.5627737025,3.981095683,4.1740230925,4.1740230925,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Mo-V,4.0,ABC2_oI8_71_a_b_e:Mn-Mo-V +mp-1223075,La3UAl8,-5.0312373942,-0.3592342304,0.0663065698,0.0663065698,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Al-La-U,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Al-La-U, expected La3UAl20 to be La3UAl8" +mp-1223022,LaU3Al8,-5.9477509867,-0.2165140054,0.0580310052,0.0580310052,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Al-La-U,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Al-La-U, expected LaU3Al20 to be LaU3Al8" +mp-1222799,LaUAl4,-5.4272275933,-0.2256075208,0.1244353846,0.1244353846,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-U,6.0,A4BC_cF24_216_e_a_c:Al-La-U +mp-977545,ZrTc2W,-10.8166493125,-0.259872125,0.0,-0.0237146969,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-W-Zr,4.0,A2BC_cF16_225_c_a_b:Tc-W-Zr +mp-676227,Nd2Th2O7,-9.3963124609,-4.0335095206,0.0686162798,0.0686162798,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Nd-O-Th,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Nd-O-Th, expected Nd2ThO7 to be Nd2Th2O7" +mp-676552,Nd2Th8O19,-9.856854189,-4.2418801759,0.0256672189,0.0256672189,GGA,P-4m2,A2B19C8_tP29_115_g_abc4e4f_4g:Nd-O-Th,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:Nd-O-Th, expected Nd2Th14O35 to be Nd2Th8O19" +mp-676564,NdTh9O20,-9.920323714,-4.2394355171,0.0083896272,0.0083896272,GGA,P-1,AB20C9_aP30_2_a_10i_c4i:Nd-O-Th,30.0,"Invalid WP multiplicities - AB20C9_aP30_2_a_20i_c8i:Nd-O-Th, expected NdTh17O40 to be NdTh9O20" +mp-1173423,Nd2Th3O9,-9.55808666,-4.1082246588,0.0510109777,0.0510109777,GGA,I-4m2,A2B9C3_tI28_119_e_c4f_ae:Nd-O-Th,14.0,"Invalid WP multiplicities - A2B9C3_tI28_119_e_c6f_a2e:Nd-O-Th, expected Nd2Th5O13 to be Nd2Th3O9" +mp-1220069,NdTh,-6.04741457,0.0435882712,0.0435882712,0.0435882712,GGA,R-3m,AB_hR6_166_a_b:Nd-Th,2.0,AB_hR6_166_a_b:Nd-Th +mp-974779,NdTh3,-6.703283485,0.0491470606,0.0491470606,0.0491470606,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Th,4.0,AB3_cP4_221_a_c:Nd-Th +mp-974068,Nd3Th,-5.352264575,0.0773105619,0.0773105619,0.0773105619,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Th,4.0,A3B_tI8_139_ad_b:Nd-Th +mp-1173419,PrVSb3,-5.2066929175,0.0436701915,0.694379732,0.6923910825,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Pr-Sb-V,20.0,"Invalid WP multiplicities - AB3C_oP20_57_d_3c8d_c:Pr-Sb-V, expected PrVSb11 to be PrVSb3" +mp-1173554,PrVSb3,-5.655528566,-0.405165457,0.2455440835,0.243555434,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Pr-Sb-V,20.0,"Invalid WP multiplicities - AB3C_oP20_57_d_3c8d_c:Pr-Sb-V, expected PrVSb11 to be PrVSb3" +mp-1209337,PrVSb3,-5.9010726495,-0.6507095405000001,0.0,-0.0019886495,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Pr-Sb-V,20.0,AB3C_oP20_57_d_c2d_c:Pr-Sb-V +mp-979951,Yb3U,-3.34502729,0.6325314225,0.6325314225,0.6325314225,GGA,I4/mmm,AB3_tI8_139_a_bd:U-Yb,,AB3_tI8_139_a_bd:U-Yb +mp-1005850,Yb3U,-3.3507951125,0.6267636,0.6267636,0.6267636,GGA,Fm-3m,AB3_cF16_225_a_bc:U-Yb,,AB3_cF16_225_a_bc:U-Yb +mp-1187689,YbU3,-8.2114409512,0.6420186263000001,0.6420186263000001,0.6420186263000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:U-Yb,,A3B_hP8_194_h_c:U-Yb +mp-981662,YbU3,-8.2078064525,0.645653125,0.645653125,0.645653125,GGA,Pm-3m,A3B_cP4_221_c_a:U-Yb,,A3B_cP4_221_c_a:U-Yb +mp-1215772,YbUTe6,-4.9351588025,-0.9738020962,0.0272431078,0.0272431078,GGA,Amm2,A6BC_oC16_38_3a3b_a_b:Te-U-Yb,,A6BC_oC16_38_3a3b_a_b:Te-U-Yb +mp-1200384,Hf3(VGa2)2,-7.0977349021,-0.4142056443,0.0,-0.007804958,GGA,Pnma,A4B3C2_oP72_62_6cd_6c_2d:Ga-Hf-V,72.0,A4B3C2_oP72_62_6cd_6c_2d:Ga-Hf-V +mp-1191713,Hf3(VGa3)2,-6.4349356055,-0.4160305723,0.0,-0.0048545337,GGA,Pmmn,A6B3C2_oP22_59_abef_ae_c:Ga-Hf-V,22.0,A6B3C2_oP22_59_abef_ae_c:Ga-Hf-V +mp-1025167,Hf(VGa2)2,-6.0973389729,-0.3491410786,0.0,-0.0249056995,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Hf-V,7.0,A4BC2_tI14_139_h_a_d:Ga-Hf-V +mp-11023,ScAuO2,-7.4392658325,-2.5643337006,0.0121464707,0.0121464707,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Au-O-Sc,8.0,AB2C_hP8_194_c_f_a:Au-O-Sc +mp-1186662,PuGaO3,-9.10515653,-2.6779564327000003,0.2689982405,0.2689982405,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Pu,5.0,AB3C_cP5_221_b_c_a:Ga-O-Pu +mp-15691,NpAsS,-8.5300626383,-1.2822799873,0.0,-0.1068195919,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Np-S,6.0,ABC_tP6_129_a_c_c:As-Np-S +mp-982385,Np3S5,-9.1872670575,-1.7465685102,0.0,-0.0344473026,GGA,Pnma,A3B5_oP32_62_cd_3cd:Np-S,32.0,A3B5_oP32_62_cd_3cd:Np-S +mp-504783,Np2S3,-9.4374139155,-1.7764321229000002,0.0,-0.0555166105,GGA,Pnma,A2B3_oP20_62_2c_3c:Np-S,20.0,A2B3_oP20_62_2c_3c:Np-S +mp-1209834,Np2S5,-8.1364120386,-1.4824393676,0.0,-0.1517205026,GGA,Pbcn,A2B5_oP28_60_d_c2d:Np-S,28.0,A2B5_oP28_60_d_c2d:Np-S +mp-10109,NpS,-10.160418295,-1.6183035209,0.0,-0.1379434185,GGA,Fm-3m,AB_cF8_225_a_b:Np-S,2.0,AB_cF8_225_a_b:Np-S +mp-1186672,PmYZn2,-3.7763532625,-0.3422280985,0.0,-0.0517734671,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pm-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Pm-Y-Zn +mp-1183733,Co3S,-6.2561642138,0.1091865992,0.4897327167,0.4897327167,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-S,8.0,A3B_hP8_194_h_c:Co-S +mp-850049,CoS2,-5.8177741192,-0.6907016096,0.0018982358,-0.0971902164,GGA,Pbca,AB2_oP12_61_a_c:Co-S,12.0,AB2_oP12_61_a_c:Co-S +mp-1042106,CoS2,-5.5022505383,-0.3751780287,0.3174218167,0.2183333645,GGA,I-42d,AB2_tI12_122_a_d:Co-S,6.0,AB2_tI12_122_a_d:Co-S +mp-1387852,CoS2,-5.7011569933,-0.5740844838,0.1185153617,0.0194269095,GGA,R-3m,AB2_hR9_166_a_c:Co-S,3.0,AB2_hR9_166_a_c:Co-S +mp-2070,CoS2,-5.819672355,-0.6925998454000001,0.0,-0.0990884522,GGA,Pa-3,AB2_cP12_205_a_c:Co-S,12.0,AB2_cP12_205_a_c:Co-S +mp-1390701,CoS2,-5.7211723658,-0.5940998563000001,0.0984999892,-0.000588463,GGA,Fd-3m,AB2_cF48_227_c_e:Co-S,12.0,AB2_cF48_227_c_e:Co-S +mp-684732,Co2S3,-6.015414889,-0.6902178509,0.025580785,0.025580785,GGA,I4_1/amd,A2B3_tI80_141_ceh_3h:Co-S,40.0,"Invalid WP multiplicities - A2B3_tI80_141_2c3e5h_17h:Co-S, expected Co15S34 to be Co2S3" +mp-1183728,Co2S3,-6.03741071,-0.7122136719000001,0.003584964,0.003584964,GGA,R-3c,A2B3_hR30_167_c_e:Co-S,10.0,A2B3_hR30_167_c_e:Co-S +mp-1224454,Hf3CoS6,-7.823877618,-1.6440192094,0.0771009885,0.0771009885,GGA,R-3,AB3C6_hR30_148_a_bc_f:Co-Hf-S,10.0,AB3C6_hR30_148_a_bc_f:Co-Hf-S +mp-1513,Co9S8,-6.4261138147,-0.7163221035,0.0,-0.0837747797,GGA,Fm-3m,A9B8_cF68_225_af_ce:Co-S,17.0,"Invalid WP multiplicities - A9B8_cF68_225_a2f_ce:Co-S, expected Co17S8 to be Co9S8" +mp-1147746,CoS,-6.2944653625,-0.6720815316000001,0.0469877427,0.0469877427,GGA,P4/nmm,AB_tP4_129_a_c:Co-S,4.0,AB_tP4_129_a_c:Co-S +mp-1274,CoS,-6.1565969375,-0.5342131066,0.1848561677,0.1848561677,GGA,P6_3/mmc,AB_hP4_194_a_c:Co-S,4.0,AB_hP4_194_a_c:Co-S +mp-943,Co3S4,-6.135848525,-0.7257409746,0.0,-0.0126202464,GGA,Fd-3m,A3B4_cF56_227_ad_e:Co-S,14.0,A3B4_cF56_227_ad_e:Co-S +mp-1216752,Tm4FeS7,-6.6015958442,-1.9908865132,0.117120684,0.117120684,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Fe-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Fe-S-Tm +mp-1216764,TiVSe4,-6.3626623383,-1.2021550055,0.0141702583,0.0141702583,GGA,P2/m,A4BC_mP6_10_mn_a_e:Se-Ti-V,6.0,"Invalid WP multiplicities - A4BC_mP6_10_2mn_c_e:Se-Ti-V, expected TiVSe6 to be TiVSe4" +mp-1217146,Ti2VSe4,-6.8312468971,-1.2800274666,0.0418946681,0.0418946681,GGA,Cm,A4B2C_mC14_8_4a_2a_a:Se-Ti-V,7.0,A4B2C_mC14_8_4a_2a_a:Se-Ti-V +mp-1025203,Ti2VSe4,-6.8566162443,-1.3053968137,0.016525321,0.016525321,GGA,C2/m,A4B2C_mC14_12_2i_i_a:Se-Ti-V,7.0,A4B2C_mC14_12_2i_i_a:Se-Ti-V +mp-1246316,Ga(PbN)3,-5.4640398471000005,0.1324632968,0.3201252593,0.3201252593,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ga-N-Pb,14.0,AB3C3_hP14_176_c_h_h:Ga-N-Pb +mp-1245749,Ga3Pb3N5,-5.580521985,0.0471783698,0.4054421164,0.4054421164,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Pb +mp-1216149,Zr(U5Ti2)2,-10.232345932,-0.0294280122,0.0328680847,0.0328680847,GGA,Cmmm,A4B10C_oC30_65_2g_5h_a:Ti-U-Zr,15.0,"Invalid WP multiplicities - A4B10C_oC30_65_3g_9h_a:Ti-U-Zr, expected Zr(U3Ti)6 to be Zr(U5Ti2)2" +mp-1246003,Ti(PbN)4,-6.3260439356,-0.0935928248,0.327963645,0.327963645,GGA,C2/c,A4B4C_mC36_15_2f_2f_e:N-Pb-Ti,18.0,"Invalid WP multiplicities - A4B4C_mC36_15_4f_3f_e:N-Pb-Ti, expected Ti(Pb3N4)2 to be Ti(PbN)4" +mp-1245331,TiPb7N6,-5.8858643977,0.1072063921,0.3782069798,0.3782069798,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Pb-Ti,56.0,A6B7C_oP56_60_3d_c3d_c:N-Pb-Ti +mp-1246100,Ti(PbN)3,-6.4275865707,-0.1357411419,0.4062600336,0.4062600336,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Pb-Ti,14.0,A3B3C_hP14_176_h_h_c:N-Pb-Ti +mp-1246958,Ti2Pb5N6,-6.7288438042,-0.2385985017,0.3450950719,0.3450950719,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Ti,,A6B5C2_mC52_15_3f_e2f_f:N-Pb-Ti +mp-1245391,Ti3Pb3N5,-7.6670369132,-0.7118649236,0.3228645932,0.3228645932,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Ti,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Ti +mp-567407,Dy5C2Br9,-5.4106631633,-1.9438806536,0.0,-0.1289027354,GGA,P2_1/c,A9B2C5_mP64_14_9e_2e_5e:Br-C-Dy,64.0,"Invalid WP multiplicities - A9B2C5_mP64_14_31e_2e_18e:Br-C-Dy, expected Dy18C2Br31 to be Dy5C2Br9" +mp-1245985,Si2TeN2,-6.888385287,-0.7549989263,0.2260244575,0.2260244575,GGA,Cmc2_1,A2B2C_oC20_36_b_b_a:N-Si-Te,10.0,A2B2C_oC20_36_b_b_a:N-Si-Te +mp-697076,Ti3Zn3C,-5.6841517975,-0.4420986014,0.0,-0.0505893278,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:C-Ti-Zn,28.0,AB3C3_cF112_227_c_f_de:C-Ti-Zn +mp-1217252,Ti6Zn2C,-5.89846556,0.6705460858,0.9894016592,0.9894016592,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:C-Ti-Zn,9.0,AB6C2_tP9_123_c_abi_g:C-Ti-Zn +mp-10600,La3AlC,-5.741741924,-0.1852893965,0.0345301715,0.0345301715,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-La,5.0,ABC3_cP5_221_a_b_c:Al-C-La +mp-23391,Tl4CrI6,-3.3347754855,-0.7944283803000001,0.0416136196,0.0416136196,GGA,Cccm,AB6C4_oC44_66_e_k2l_gh:Cr-I-Tl,22.0,"Invalid WP multiplicities - AB6C4_oC44_66_e_k3l_gh:Cr-I-Tl, expected Tl4CrI8 to be Tl4CrI6" +mp-567325,Tl4CrI6,-3.3273414955,-0.7869943903000001,0.0490476096,0.0490476096,GGA,P4/mnc,AB6C4_tP22_128_a_eh_g:Cr-I-Tl,22.0,"Invalid WP multiplicities - AB6C4_tP22_128_a_3e4h_g:Cr-I-Tl, expected Tl4CrI22 to be Tl4CrI6" +mp-865494,V2CrRu,-9.5180538375,-0.2442383,0.0,-0.04614283,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ru-V,4.0,ABC2_cF16_225_a_b_c:Cr-Ru-V +mp-1078363,Ce2BiN,-7.2609395663,-1.250148975,0.0082338137,0.0082338137,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Bi-Ce-N,8.0,AB2C_tP8_129_c_ac_c:Bi-Ce-N +mp-622591,BaTbF6,-6.0608155419,-3.8080386862,0.0,-0.0073254144,GGA,P-1,AB6C_aP32_2_2i_ae11i_2i:Ba-F-Tb,32.0,"Invalid WP multiplicities - AB6C_aP32_2_4i_ae20i_4i:Ba-F-Tb, expected Ba4Tb4F21 to be BaTbF6" +mp-8573,BaTbF6,-6.0434536419,-3.7906767862,0.0173619,0.0100364856,GGA,Cmme,AB6C_oC32_67_g_mo_a:Ba-F-Tb,16.0,"Invalid WP multiplicities - AB6C_oC32_67_g_m2o_a:Ba-F-Tb, expected BaTbF10 to be BaTbF6" +mp-27469,Th2BiN2,-8.736953378,-1.668714282,0.0,-0.231580896,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-N-Th,5.0,AB2C2_tI10_139_a_d_e:Bi-N-Th +mp-541347,Er2Au5F21,-4.5744188134,-2.2299221728,0.0,-0.0090029411,GGA,P-1,A5B2C21_aP56_2_5i_2i_bc20i:Au-Er-F,56.0,A5B2C21_aP56_2_5i_2i_bc20i:Au-Er-F +mp-542435,Li3ScN2,-5.8391270577,-1.0504224652,0.0,-0.048145796,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Sc,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Sc +mp-1201999,Y5IrBr9,-5.7433786497,-2.0668423352,0.0,-0.0205620716,GGA,I4_1/a,A9BC5_tI240_88_9f_f_5f:Br-Ir-Y,120.0,A9BC5_tI240_88_9f_f_5f:Br-Ir-Y +mp-1096627,Ta2MnW,-6.73054634,4.7283788555,4.8482447809,4.8482447809,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ta-W,4.0,AB2C_oI8_71_a_e_b:Mn-Ta-W +mp-541504,U4Tc7Ge6,-9.0006712241,-0.4460665309,0.0,-0.2842848675,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Tc-U,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Tc-U +mp-1194431,Hf9FeW4,-10.8195727311,-0.1111982025,0.0019889437,0.0019889437,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Fe-Hf-W,28.0,AB9C4_hP28_194_c_hk_ah:Fe-Hf-W +mp-22350,Nd3SnN,-4.214031552,1.1160702635,2.138240164,2.0975426825,GGA,Pm-3m,AB3C_cP5_221_a_c_b:N-Nd-Sn,5.0,AB3C_cP5_221_a_c_b:N-Nd-Sn +mp-1094085,Nd3SnN,-6.352271716,-1.0221699005,0.0,-0.0406974815,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Nd-Sn,5.0,AB3C_cP5_221_b_c_a:N-Nd-Sn +mp-1207548,Zr5(VSb3)6,-6.2871769321,-0.3711782462,0.0800711133,0.0800711133,GGA,I-42d,A18B6C5_tI116_122_d4e_3c_a2c:Sb-V-Zr,58.0,A18B6C5_tI116_122_d4e_3c_a2c:Sb-V-Zr +mp-29785,Zr2(V2Sb3)3,-6.7724053991,-0.3747672321,0.0121777226,0.0121777226,GGA,P4/nmm,A9B6C2_tP34_129_aij_ei_2c:Sb-V-Zr,34.0,"Invalid WP multiplicities - A9B6C2_tP34_129_2a6i6j_2e2i_2c:Sb-V-Zr, expected ZrV6Sb25 to be Zr2(V2Sb3)3" +mp-1246303,Mg2IrN3,-6.4517245692,-0.27697806,0.2205335182,0.2205335182,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ir-Mg-N,12.0,AB2C3_oC24_36_a_b_ab:Ir-Mg-N +mp-1246209,Mg4IrN4,-5.8493192739,-0.4509265983,0.2124221726,0.2124221726,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ir-Mg-N,18.0,AB4C4_aP18_2_i_4i_4i:Ir-Mg-N +mp-1247536,MgIrN2,-6.8373070588,-0.0593810387,0.3137526449,0.3137526449,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ir-Mg-N,16.0,ABC2_oP16_33_a_a_2a:Ir-Mg-N +mp-1247377,MgIrN2,-6.8454728213,-0.0675468012,0.3055868824,0.3055868824,GGA,I-42d,ABC2_tI16_122_a_b_d:Ir-Mg-N,8.0,ABC2_tI16_122_a_b_d:Ir-Mg-N +mp-1204829,CrXeF10,-3.9341644279,-1.5338301517,0.0331776921,0.0331776921,GGA+U,Pbca,AB10C_oP192_61_2c_20c_2c:Cr-F-Xe,192.0,AB10C_oP192_61_2c_20c_2c:Cr-F-Xe +mp-560366,XeF6,-2.4391852642,-0.7956069821,0.0,-0.1816676592,GGA,P2_1/c,A6B_mP112_14_24e_4e:F-Xe,112.0,"Invalid WP multiplicities - A6B_mP112_14_93e_14e:F-Xe, expected Xe14F93 to be XeF6" +mp-641678,XeF6,-2.4276299165,-0.7840516344,0.0115553477,-0.1701123115,GGA,C2/c,A6B_mC224_15_24f_4f:F-Xe,112.0,"Invalid WP multiplicities - A6B_mC224_15_95f_13f:F-Xe, expected Xe13F95 to be XeF6" +mp-641661,XeF6,-2.4318443908000003,-0.7882661087,0.0073408734,-0.1743267858,GGA,Pna2_1,A6B_oP112_33_24a_4a:F-Xe,112.0,"Invalid WP multiplicities - A6B_oP112_33_95a_13a:F-Xe, expected Xe13F95 to be XeF6" +mp-23185,XeF4,-2.39593306,-0.859515052,0.0,-0.0418838197,GGA,P2_1/c,A4B_mP10_14_2e_a:F-Xe,10.0,"Invalid WP multiplicities - A4B_mP10_14_3e_a:F-Xe, expected XeF6 to be XeF4" +mp-1200076,Cr2XeF10,-5.1531989508,-2.1949636596,0.0074958685,0.0074958685,GGA+U,P-1,A2B10C_aP52_2_4i_20i_2i:Cr-F-Xe,52.0,A2B10C_aP52_2_4i_20i_2i:Cr-F-Xe +mp-1187777,Xe,-0.0317242775,0.0044498925,0.0044498925,0.0044498925,GGA,Cmce,A_oC8_64_f:Xe,4.0,A_oC8_64_f:Xe +mp-570510,Xe,-0.03601639,0.00015778,0.00015778,0.00015778,GGA,P6_3/mmc,A_hP2_194_c:Xe,2.0,A_hP2_194_c:Xe +mp-979286,Xe,-0.03016646,0.00600771,0.00600771,0.00600771,GGA,R-3m,A_hR3_166_a:Xe,1.0,A_hR3_166_a:Xe +mp-972256,Xe,-0.03617417,0.0,0.0,0.0,GGA,R-3m,A_hR3_166_a:Xe,1.0,A_hR3_166_a:Xe +mp-1187769,Xe,-0.0340331,0.00214107,0.00214107,0.00214107,GGA,R-3m,A_hR9_166_ac:Xe,3.0,A_hR9_166_ac:Xe +mp-1187761,Xe,-0.0346796725,0.0014944975,0.0014944975,0.0014944975,GGA,P6_3/mmc,A_hP4_194_ac:Xe,4.0,A_hP4_194_2a2c:Xe +mp-611517,Xe,-0.03039347,0.0057807,0.0057807,0.0057807,GGA,Fm-3m,A_cF4_225_a:Xe,1.0,A_cF4_225_a:Xe +mp-979285,Xe,-0.03423668,0.00193749,0.00193749,0.00193749,GGA,Im-3m,A_cI2_229_a:Xe,1.0,A_cI2_229_a:Xe +mp-561153,XeF3,-2.2795552194,-0.8369024513000001,0.0,-0.0059331581,GGA,P2_1/c,A3B_mP16_14_3e_ad:F-Xe,16.0,"Invalid WP multiplicities - A3B_mP16_14_8e_ad:F-Xe, expected XeF8 to be XeF3" +mp-28749,CrXeF6,-4.5837672787,-1.9390053481,0.0003457903,0.0003457903,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Cr-F-Xe,32.0,AB6C_mP32_14_e_6e_e:Cr-F-Xe +mp-22885,XeF2,-2.0697703967,-0.7833930283,0.0,-0.0394797383,GGA,I4/mmm,A2B_tI6_139_e_a:F-Xe,3.0,A2B_tI6_139_e_a:F-Xe +mp-1199834,Cr4Xe5F44,-3.7894796967,-1.4706469551,0.0296162856,0.0296162856,GGA+U,Pbca,A4B44C5_oP212_61_2c_22c_a2c:Cr-F-Xe,212.0,A4B44C5_oP212_61_2c_22c_a2c:Cr-F-Xe +mp-12387,YbAsO4,-6.6117465042,-2.2808329158,0.0,-0.1598610489,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Yb,,AB4C_tI24_141_a_h_b:As-O-Yb +mp-1208099,Yb(AsO)2,-5.9388826585,-1.7886381560000002,0.206784144,0.206784144,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Yb,,A2B2C_tI40_141_h_h_c:As-O-Yb +mp-9799,Yb4As2O,-4.8540744686,-1.9364518055,0.0,-0.0820320002,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:As-O-Yb,,A2BC4_tI14_139_e_a_ce:As-O-Yb +mp-865594,Y2CuIr,-7.04787714,-0.5802313708,0.0145668926,0.0145668926,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Y,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Y +mp-607725,Ce(PPt2)2,-6.7252200832,-0.8617590192,0.0,-0.0167303034,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ce-P-Pt,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Ce-P-Pt, expected CeP5Pt13 to be Ce(PPt2)2" +mp-1205866,Ce(PPt)2,-6.737927299,-0.9575351373,0.0195935075,0.0195935075,GGA,I4/mmm,AB2C2_tI20_139_e_de_ce:Ce-P-Pt,10.0,AB2C2_tI20_139_e_de_ce:Ce-P-Pt +mp-1102498,Ce2PPt8,-6.8559573009,-0.8697257212,0.0,-0.0472073553,GGA,Amm2,A2BC8_oC22_38_d_b_abd2e:Ce-P-Pt,11.0,A2BC8_oC22_38_d_b_abd2e:Ce-P-Pt +mp-22499,EuSnF7,-6.3498273056,-3.2779465914,0.0036285783,-0.0782684206,GGA,P2_1,AB7C_mP18_4_a_7a_a:Eu-F-Sn,18.0,"Invalid WP multiplicities - AB7C_mP18_4_a_14a_a:Eu-F-Sn, expected EuSnF14 to be EuSnF7" +mp-21580,EuSnF7,-6.3534558839,-3.2815751697,0.0,-0.0818969989,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Eu-F-Sn,36.0,AB7C_mP36_14_e_7e_e:Eu-F-Sn +mp-29933,Hf5P7Pd9,-7.2828120557,-0.8876692468,0.0,-0.0164833017,GGA,Amm2,A5B7C9_oC42_38_ade_ad2e_b2d2e:Hf-P-Pd,21.0,"Invalid WP multiplicities - A5B7C9_oC42_38_ade_ad2e_b2d4e:Hf-P-Pd, expected Hf5P7Pd13 to be Hf5P7Pd9" +mp-29811,Hf3P3Pd4,-7.662591025,-0.97949084,0.0,-0.0007821966,GGA,Pnma,A3B3C4_oP40_62_3c_3c_4c:Hf-P-Pd,40.0,A3B3C4_oP40_62_3c_3c_4c:Hf-P-Pd +mp-1220618,Nb8P5,-9.0844181181,-0.7861909755,0.0948869001,0.0948869001,GGA,Pmc2_1,A8B5_oP52_26_10a6b_4a6b:Nb-P,52.0,"Invalid WP multiplicities - A8B5_oP52_26_10a20b_12a8b:Nb-P, expected Nb3P2 to be Nb8P5" +mp-1077116,NbP2,-7.651939155,-0.6759691372000001,0.0,-0.0161366178,GGA,C2/m,AB2_mC12_12_i_2i:Nb-P,6.0,AB2_mC12_12_i_2i:Nb-P +mp-1209992,NbP2,-6.6136946392,0.3622753786,1.0382445158,1.0221078981,GGA,I4_1/amd,AB2_tI24_141_c_h:Nb-P,12.0,AB2_tI24_141_c_h:Nb-P +mp-1220317,NbP,-8.12619055,-0.3688867767,0.6208620025,0.419112549,GGA,Cmmm,AB_oC4_65_a_c:Nb-P,2.0,AB_oC4_65_a_c:Nb-P +mp-9339,NbP,-8.7470525525,-0.9897487792,0.0,-0.2017494535,GGA,I4_1md,AB_tI8_109_a_a:Nb-P,4.0,AB_tI8_109_a_a:Nb-P +mp-9830,NbP,-8.144989435,-0.3876856617,0.6020631175,0.400313664,GGA,I4_1/amd,AB_tI8_141_a_b:Nb-P,4.0,AB_tI8_141_a_b:Nb-P +mp-27672,Nb2P5,-7.3126350579,-0.559903256,0.0194988617,0.0194988617,GGA,Pnma,A2B5_oP28_62_2c_5c:Nb-P,28.0,A2B5_oP28_62_2c_5c:Nb-P +mp-581991,Nb2P,-8.4470718863,0.0915656426,0.9114042294,0.8919514649,GGA,Pmma,A2B_oP54_51_ab3ef2i4j_e2i2j:Nb-P,54.0,"Invalid WP multiplicities - A2B_oP54_51_2a2b6e2f7i13j_2e7i6j:Nb-P, expected Nb13P7 to be Nb2P" +mp-505064,Nb2P,-9.3584761157,-0.8198385869,0.0,-0.0194527646,GGA,Pmma,A2B_oP54_51_ad3ef2i4j_e2i2j:Nb-P,54.0,A2B_oP54_51_ad3ef2i4j_e2i2j:Nb-P +mp-1106162,Nb3P,-9.5410484,-0.6117439933000001,0.0253573669,0.0031349468,GGA,I-4,A3B_tI32_82_3g_g:Nb-P,16.0,A3B_tI32_82_3g_g:Nb-P +mp-505528,Nb3P,-9.5664057669,-0.6371013602000001,0.0,-0.0222224201,GGA,P4_2/n,A3B_tP32_86_3g_g:Nb-P,32.0,A3B_tP32_86_3g_g:Nb-P +mp-18254,Nb7P4,-9.2563388364,-0.8597619903,0.0,-0.0019718542,GGA,C2/m,A7B4_mC44_12_ad6i_4i:Nb-P,22.0,A7B4_mC44_12_ac6i_4i:Nb-P +mp-1101948,NbPRh,-8.5028928558,-0.8765877169,0.0,-0.0642941535,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-P-Rh,12.0,ABC_oP12_62_c_c_c:Nb-P-Rh +mp-648999,Nb5P3,-9.215326057,-0.872021967,0.0,-0.0014277443,GGA,Pnma,A5B3_oP64_62_10c_6c:Nb-P,64.0,"Invalid WP multiplicities - A5B3_oP64_62_36c_21c:Nb-P, expected Nb12P7 to be Nb5P3" +mp-1100435,ZrCuB,-6.6750895933,-0.2329899031,0.3423175453,0.3423175453,GGA,F-43m,ABC_cF12_216_c_a_b:B-Cu-Zr,3.0,ABC_cF12_216_c_a_b:B-Cu-Zr +mp-1097217,Y2AlTl,-2.5955296225,2.1647606783,2.5863075222000003,2.5863075222000003,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Al-Tl-Y +mp-20877,NbCoB2,-8.2514139625,-0.6093123683,0.0001676606,0.0001676606,GGA,Pnma,A2BC_oP16_62_2c_c_c:B-Co-Nb,16.0,A2BC_oP16_62_2c_c_c:B-Co-Nb +mp-4212,Nb3Co4B7,-8.1218094004,-0.5866002078,0.0,-0.0068927986,GGA,Cmcm,A7B4C3_oC56_63_c3f_2cf_cf:B-Co-Nb,28.0,A7B4C3_oC56_63_c3f_2cf_cf:B-Co-Nb +mp-1209993,Nb3Co5B2,-8.229213518,-0.3087847543,0.0685172734,0.0685172734,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Co-Nb,20.0,A2B5C3_tP20_127_g_cj_ag:B-Co-Nb +mp-1192832,Nb2(Co7B2)3,-7.4890683252,-0.2630809321,0.0,-0.0373174027,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Nb,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Nb +mp-1014244,ZrZnN2,-7.6647685275,-1.044660005,0.0,-0.0511924908,GGA,P3m1,A2BC_hP4_156_ab_a_c:N-Zn-Zr,4.0,A2BC_hP4_156_ab_a_c:N-Zn-Zr +mp-2647038,Zr2Zn2N3,-7.3094257043,-0.9345152393,0.2040942886,0.2040942886,GGA,P-3m1,A3B2C2_hP7_164_ad_d_d:N-Zn-Zr,7.0,A3B2C2_hP7_164_ad_d_d:N-Zn-Zr +mp-722937,Zr3Zn3N,-6.1929969007,-0.7988786657,0.0,-0.0426677173,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:N-Zn-Zr,28.0,AB3C3_cF112_227_c_de_f:N-Zn-Zr +mp-1238810,ZrZn3N4,-5.9438674044,-0.2347535094,0.3008862265,0.3008862265,GGA,Pmn2_1,A4B3C_oP16_31_2ab_ab_a:N-Zn-Zr,16.0,A4B3C_oP16_31_2ab_ab_a:N-Zn-Zr +mp-1014226,Zr3ZnN,-8.007242708,-0.959374623,0.0,-0.043512416,GGA,Cmcm,ABC3_oC20_63_a_c_cf:N-Zn-Zr,10.0,ABC3_oC20_63_a_c_cf:N-Zn-Zr +mp-1246648,Zr(ZnN)4,-5.6148926094,-0.4001531906,0.0818864561,0.0818864561,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Zn-Zr,18.0,A4B4C_aP18_2_4i_4i_i:N-Zn-Zr +mp-24083,Th2AlH4,-5.1416392421,-0.5496111693,0.0173108461,0.0173108461,GGA,I4/mcm,AB4C2_tI28_140_a_l_h:Al-H-Th,14.0,AB4C2_tI28_140_a_l_h:Al-H-Th +mp-707703,Th8Al4H11,-5.3707613433,-0.5180154383,0.0265554507,0.0265554507,GGA,P-42m,A4B11C8_tP69_111_ef2m_a8n_6n:Al-H-Th,69.0,A4B11C8_tP69_111_ef2m_a8n_6n:Al-H-Th +mp-1180353,Mg2OsS6,-4.6227884789,-0.2620521754,0.7454161067,0.7454161067,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Mg-Os-S,9.0,A2BC6_cF36_225_c_a_e:Mg-Os-S +mp-2889,LaPd3S4,-5.8477314544,-1.2200499541,0.0,-0.0577474354,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:La-Pd-S,16.0,AB3C4_cP16_223_a_c_e:La-Pd-S +mp-1219322,ScV4Si3,-7.8998439806,-0.5318380462,0.0802618861,0.0802618861,GGA,Amm2,AB3C4_oC32_38_d_abde_abef:Sc-Si-V,16.0,AB3C4_oC32_38_d_abde_abef:Sc-Si-V +mp-1208991,Sc3V2Si3,-7.3304421569,-0.6502954638,0.0281660263,0.0281660263,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Sc-Si-V,16.0,A3B3C2_hP16_193_g_g_d:Sc-Si-V +mp-1219438,Sc2(VSi)3,-7.3142080837,-0.29013177,0.356853216,0.356853216,GGA,P6_3/mcm,A2B3C3_hP16_193_d_g_g:Sc-Si-V,16.0,A2B3C3_hP16_193_d_g_g:Sc-Si-V +mp-1219499,Sc(VSi)5,-7.7504728445,-0.5796919714000001,0.0216233805,0.0216233805,GGA,C2/m,AB5C5_mC44_12_i_g4i_3ij:Sc-Si-V,22.0,AB5C5_mC44_12_i_g4i_3ij:Sc-Si-V +mp-504941,Sc2V3Si4,-7.5635513711,-0.7171148667,0.0,-0.0568798626,GGA,P4_12_12,A2B4C3_tP36_92_b_2b_ab:Sc-Si-V,36.0,A2B4C3_tP36_92_b_2b_ab:Sc-Si-V +mp-1025377,Cd(AgI2)2,-2.4530859571,-0.670019219,0.0,-0.0125782593,GGA,I-42m,A2BC4_tI14_121_d_a_i:Ag-Cd-I,7.0,A2BC4_tI14_121_d_a_i:Ag-Cd-I +mp-1105696,Pr(ErS2)3,-6.7155113455,-2.3852352069,0.0,-0.0153936334,GGA,P2_1/m,A3BC6_mP20_11_3e_e_6e:Er-Pr-S,20.0,A3BC6_mP20_11_3e_e_6e:Er-Pr-S +mp-1199144,PrErS3,-6.7247935045,-2.3731986714,0.0021971695,0.0021971695,GGA,P2_1/m,ABC3_mP40_11_4e_4e_12e:Er-Pr-S,40.0,ABC3_mP40_11_4e_4e_12e:Er-Pr-S +mp-1196484,Pr4(ErS2)11,-6.6889494124,-2.3546135475,0.0230345244,0.0230345244,GGA,C2/m,A11B4C22_mC74_12_a5i_2i_11i:Er-Pr-S,37.0,A11B4C22_mC74_12_a5i_2i_11i:Er-Pr-S +mp-1219289,Si4Ni9B2,-6.2518169013,-0.4463978492,0.0080216779,0.0080216779,GGA,I-42m,A2B9C4_tI30_121_c_aj_i:B-Ni-Si,15.0,A2B9C4_tI30_121_c_aj_i:B-Ni-Si +mp-4720,Si2Ni6B,-6.2643522956,-0.4631469721,0.0,-0.0160446711,GGA,P-62m,AB6C2_hP9_189_a_fg_d:B-Ni-Si,9.0,"Invalid WP multiplicities - AB6C2_hP9_189_a_2f2g_d:B-Ni-Si, expected Si2Ni12B to be Si2Ni6B" +mp-1206912,Lu3GaC,-5.7097427960000005,-0.5458201810000001,0.0,-0.078898721,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Lu,5.0,ABC3_cP5_221_b_a_c:C-Ga-Lu +mp-1187187,SrLu,-2.808582435,0.2966395517,0.2966395517,0.2966395517,GGA,P-6m2,AB_hP2_187_a_d:Lu-Sr,2.0,AB_hP2_187_a_d:Lu-Sr +mp-972300,Sr3Lu,-2.1571612675,0.2401964525,0.2401964525,0.2401964525,GGA,I4/mmm,AB3_tI8_139_a_bd:Lu-Sr,4.0,AB3_tI8_139_a_bd:Lu-Sr +mp-35769,Sr4Lu3F17,-6.5730224229,-4.372357097,0.0,-0.0293738796,GGA,P1,A17B3C4_aP48_1_34a_6a_8a:F-Lu-Sr,48.0,A17B3C4_aP48_1_34a_6a_8a:F-Lu-Sr +mp-867275,BeVOs2,-9.0678403425,-0.2483268938,0.0,-0.0496398607,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Os-V,4.0,AB2C_cF16_225_a_c_b:Be-Os-V +mp-14276,RhPb2F7,-5.1850071983,-2.36801172,0.0,-0.0236400418,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:F-Pb-Rh,40.0,A7B2C_mP40_14_7e_2e_e:F-Pb-Rh +mp-557726,Gd2Au5F21,-5.2314623623,-2.2077940481,0.0,-0.0894038265,GGA,P4_12_12,A5B21C2_tP112_92_a2b_a10b_b:Au-F-Gd,112.0,"Invalid WP multiplicities - A5B21C2_tP112_92_4a10b_4a73b_b:Au-F-Gd, expected Gd(Au4F25)3 to be Gd2Au5F21" +mp-1227605,Bi2IBr,-3.3468706112,-0.6700273762000001,0.0216457014,0.0216457014,GGA,C2/m,A2BC_mC48_12_6i_3i_3i:Bi-Br-I,24.0,A2BC_mC48_12_6i_3i_3i:Bi-Br-I +mp-1227510,Bi4IBr3,-3.4232283094,-0.7364273269,0.0270357256,0.0270357256,GGA,Cmc2_1,A4B3C_oC32_36_4a_3a_a:Bi-Br-I,16.0,A4B3C_oC32_36_4a_3a_a:Bi-Br-I +mp-1227536,Bi4I3Br,-3.2674485156,-0.6005630281000001,0.0193200748,0.0193200748,GGA,Cmc2_1,A4BC3_oC32_36_4a_a_3a:Bi-Br-I,16.0,A4BC3_oC32_36_4a_a_3a:Bi-Br-I +mp-9539,EuMgF4,-7.1484351108,-3.8979021575,0.0587485742,0.0587485742,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Eu-F-Mg,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_ac2f_c:Eu-F-Mg, expected EuMgF6 to be EuMgF4" +mp-1247499,Sr7RhN6,-5.4809494962,-0.5373972396,0.1156286905,0.1156286905,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Rh-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Rh-Sr +mp-1245993,Sr3RhN3,-5.961786455,-0.6128903114,0.0034698911,0.0034698911,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Rh-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Rh-Sr +mp-1246494,Sr3(RhN2)2,-6.2917219756,-0.3869357756,0.1906134139,0.1906134139,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Rh-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Rh-Sr +mp-1247348,Sr5(RhN3)2,-6.1184565488,-0.4880678906,0.1284285477,0.1284285477,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Rh-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Rh-Sr +mp-1246313,Sr4RhN4,-5.8173916889,-0.5431404241000001,0.0927236775,0.0927236775,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:N-Rh-Sr,36.0,A4BC4_oP36_62_4c_c_4c:N-Rh-Sr +mp-1245919,Sr3Rh3N5,-6.579506335,-0.3209719173,0.215560277,0.215560277,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Rh-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Rh-Sr +mp-1245966,SrRhN2,-6.6653625913,-0.2336647979,0.3168156663,0.3168156663,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Rh-Sr,16.0,A2BC_mP16_14_2e_e_e:N-Rh-Sr +mp-1093735,CaYTl2,-1.7308643625,1.5684749592,1.9755710975,1.9755710975,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Tl-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Tl-Y +mp-1206822,Pr3SnN,-6.330217394,-0.992460585,0.0,-0.0439101107,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Pr-Sn,5.0,AB3C_cP5_221_b_c_a:N-Pr-Sn +mp-1102484,ThCoH4,-5.1845413558,-0.5023613183,0.0,-0.0182624696,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Co-H-Th,12.0,AB4C_oC24_63_c_acf_c:Co-H-Th +mp-1208117,TlReO2,-6.8174924731,-0.6423555346,0.8581242645,0.8581242645,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Re-Tl,16.0,A2BC_tI32_141_h_c_d:O-Re-Tl +mp-1066583,TlRe,-6.2642918125,1.1392933533,1.1392933533,1.1392933533,GGA,Imma,AB_oI8_74_e_e:Re-Tl,4.0,AB_oI8_74_e_e:Re-Tl +mp-1178993,TlRe,-6.4112507062,0.9923344596,0.9923344596,0.9923344596,GGA,Imma,AB_oI8_74_e_e:Re-Tl,8.0,AB_oI8_74_e_e:Re-Tl +mp-28808,TlReO4,-7.7662939282,-2.0006397321,0.0,-0.2405605979,GGA,P2_1/c,A4BC_mP72_14_12e_3e_3e:O-Re-Tl,72.0,"Invalid WP multiplicities - A4BC_mP72_14_15e_3e_3e:O-Re-Tl, expected TlReO5 to be TlReO4" +mp-1216222,YIn7Cu5,-3.6311441792,-0.0754295197,0.0569232363,0.0569232363,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Y,13.0,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Y +mp-1216275,Y(InCu)6,-3.7889235531,-0.1295532828,0.0035173497,0.0035173497,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Y,13.0,A6B6C_oI26_71_fk_egh_a:Cu-In-Y +mp-1079508,Y2InCu2,-5.170360307,-0.3937524477,0.0,-0.0343439703,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Y,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Y +mp-1096300,Y2InCu,-2.7680962675,2.1778618892,2.5690139431,2.5690139431,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-In-Y,4.0,ABC2_oI8_71_a_b_e:Cu-In-Y +mp-1080624,YInCu,-4.8657598411,-0.4266393367,0.0,-0.034729899,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-In-Y,9.0,ABC_hP9_189_ad_g_f:Cu-In-Y +mp-1216173,Y2In3Cu,-4.6116075367,-0.3970741889,0.0461920751,0.0461920751,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-In-Y,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-In-Y +mp-19946,YInCu2,-4.677788375,-0.3236463292,0.0249656381,0.0249656381,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Y,4.0,A2BC_cF16_225_c_a_b:Cu-In-Y +mp-1071645,YInCu4,-4.539748185,-0.2705845978,0.0,-0.0507565439,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Y,6.0,A4BC_cF24_216_e_a_c:Cu-In-Y +mp-1216772,V2Co9Mo,-7.8730486475,-0.1240217804,0.0085245043,0.0085245043,GGA,R3m,A9BC2_hR36_160_3b_a_2a:Co-Mo-V,12.0,A9BC2_hR36_160_3b_a_2a:Co-Mo-V +mp-753823,CeTh3O8,-9.8992368075,-4.2535556746,0.0052509267,0.0052509267,GGA,Cmmm,AB8C3_oC24_65_a_2hp_bf:Ce-O-Th,12.0,"Invalid WP multiplicities - AB8C3_oC24_65_a_4h3p_bf:Ce-O-Th, expected CeTh3O20 to be CeTh3O8" +mp-1226598,CeTh3O8,-9.9001884067,-4.2545072737,0.0042993275,0.0042993275,GGA,R-3m,AB8C3_hR36_166_a_4c_bc:Ce-O-Th,12.0,"Invalid WP multiplicities - AB8C3_hR36_166_a_7c_b2c:Ce-O-Th, expected CeTh5O14 to be CeTh3O8" +mp-766123,Ce4ThO10,-9.375262411,-4.0010556122,0.0161210997,0.0161210997,GGA,C2/m,A4B10C_mC60_12_ad3i_10i_i:Ce-O-Th,30.0,"Invalid WP multiplicities - A4B10C_mC60_12_ac5i_19i_i:Ce-O-Th, expected Ce6ThO19 to be Ce4ThO10" +mp-1226874,Ce4ThO10,-9.386682908,-4.0124761092,0.0047006027,0.0047006027,GGA,I4/mmm,A4B10C_tI30_139_2e_d2g_a:Ce-O-Th,15.0,"Invalid WP multiplicities - A4B10C_tI30_139_3e_2d6g_a:Ce-O-Th, expected Ce6ThO28 to be Ce4ThO10" +mp-754176,Ce3Th3O11,-9.7306128406,-4.174470603,0.0218026766,0.0218026766,GGA,Pm,A3B11C3_mP17_6_2ab_5a6b_a2b:Ce-O-Th,17.0,A3B11C3_mP17_6_2ab_5a6b_a2b:Ce-O-Th +mp-753957,Ce4ThO8,-9.2914734815,-3.8514946692,0.0947223621,0.0947223621,GGA,Immm,A4B8C_oI26_71_2e_4f_a:Ce-O-Th,13.0,"Invalid WP multiplicities - A4B8C_oI26_71_3e_7f_a:Ce-O-Th, expected Ce6ThO14 to be Ce4ThO8" +mp-1226807,Ce2ThO6,-9.5102156189,-4.0701968603,0.0055567944,0.0055567944,GGA,Immm,A2B6C_oI18_71_e_gn_b:Ce-O-Th,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g2n_b:Ce-O-Th, expected Ce2ThO12 to be Ce2ThO6" +mp-1226762,Ce2ThO6,-9.50997252,-4.0699537614,0.0057998933,0.0057998933,GGA,P-3m1,A2B6C_hP9_164_d_c2d_a:Ce-O-Th,9.0,"Invalid WP multiplicities - A2B6C_hP9_164_d_2c4d_a:Ce-O-Th, expected Ce2ThO12 to be Ce2ThO6" +mp-676287,Ce6Th4O19,-9.7243989986,-4.2333281902,0.0,-0.114855189,GGA,Cm,A6B19C4_mC58_8_2a2b_3a8b_2b:Ce-O-Th,29.0,"Invalid WP multiplicities - A6B19C4_mC58_8_2a4b_3a15b_3b:Ce-O-Th, expected Ce10Th6O33 to be Ce6Th4O19" +mp-766570,Ce3Th4O14,-9.7315721119,-4.1740319965,0.0063233419,0.0063233419,GGA,C2/m,A3B14C4_mC42_12_ai_h3j_2i:Ce-O-Th,21.0,"Invalid WP multiplicities - A3B14C4_mC42_12_a2i_h8j_3i:Ce-O-Th, expected Ce5Th6O34 to be Ce3Th4O14" +mp-752798,CeTh2O6,-9.8211995478,-4.2166508897,0.0055451222,0.0055451222,GGA,Immm,AB6C2_oI18_71_a_fn_g:Ce-O-Th,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2f3n_g:Ce-O-Th, expected CeTh2O16 to be CeTh2O6" +mp-1226506,CeTh2O6,-9.8211869533,-4.2166382953,0.0055577167,0.0055577167,GGA,P-3m1,AB6C2_hP9_164_a_c2d_d:Ce-O-Th,9.0,"Invalid WP multiplicities - AB6C2_hP9_164_a_2c4d_d:Ce-O-Th, expected CeTh2O12 to be CeTh2O6" +mp-753456,Ce4ThO9,-9.4077166314,-4.0029728263,0.0747565162,0.0747565162,GGA,I-4,A4B9C_tI28_82_g_a2g_c:Ce-O-Th,14.0,"Invalid WP multiplicities - A4B9C_tI28_82_g_a5g_c:Ce-O-Th, expected Ce4ThO21 to be Ce4ThO9" +mp-1226577,CeTh4O10,-9.950679196,-4.2803185782,0.0004543767,0.0004543767,GGA,I4/mmm,AB10C4_tI30_139_a_d2g_2e:Ce-O-Th,15.0,"Invalid WP multiplicities - AB10C4_tI30_139_a_2d6g_3e:Ce-O-Th, expected CeTh6O28 to be CeTh4O10" +mp-36734,CeThO4,-9.6641043467,-4.1418206383,0.007154195,0.007154195,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-O-Th,6.0,AB4C_tP6_123_a_i_d:Ce-O-Th +mp-759386,Ce2Th2O7,-9.6272902118,-4.0526796856,0.0796910805,0.0796910805,GGA,P-4m2,A2B7C2_tP11_115_g_abcef_g:Ce-O-Th,11.0,"Invalid WP multiplicities - A2B7C2_tP11_115_g_abc2e2f_g:Ce-O-Th, expected Ce2Th2O11 to be Ce2Th2O7" +mp-760080,CeTh9O20,-10.0421951623,-4.3224755747,0.0022300873,0.0022300873,GGA,P-1,AB20C9_aP30_2_a_10i_c4i:Ce-O-Th,30.0,"Invalid WP multiplicities - AB20C9_aP30_2_a_18i_c8i:Ce-O-Th, expected CeTh17O36 to be CeTh9O20" +mp-754058,Ce3Th2O9,-9.590081025,-4.0795679988,0.0797699044,0.0797699044,GGA,Cm,A3B9C2_mC28_8_3a_9a_2a:Ce-O-Th,14.0,A3B9C2_mC28_8_3a_9a_2a:Ce-O-Th +mp-753555,Ce3Th2O9,-9.5710613014,-4.0605482753,0.098789628,0.098789628,GGA,Imm2,A3B9C2_oI28_44_ac_b4c_c:Ce-O-Th,14.0,"Invalid WP multiplicities - A3B9C2_oI28_44_a2c_b8c_c:Ce-O-Th, expected Ce5Th2O17 to be Ce3Th2O9" +mp-1079567,K2RbPt,-2.1558280987,0.1622882229,0.1622882229,0.1622882229,GGA,P4/mbm,A2BC_tP8_127_g_c_b:K-Pt-Rb,8.0,A2BC_tP8_127_g_c_b:K-Pt-Rb +mp-1191328,Ce2Co12P7,-7.2066827652,-0.7752966035000001,0.0,-0.0012726813,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ce-Co-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Ce-Co-P +mp-1227093,Ce(CoP3)16,-6.3515025342,-0.5129687773,0.0170344434,0.0170344434,GGA,C2/m,AB16C48_mC130_12_a_ef3j_8i8j:Ce-Co-P,65.0,"Invalid WP multiplicities - AB16C48_mC130_12_a_2e2f10j_14i27j:Ce-Co-P, expected Ce(Co6P17)8 to be Ce(CoP3)16" +mp-5820,Ce(CoP)2,-7.20935217,-1.0140862183,0.0,-0.0466240223,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Co-P,5.0,AB2C2_tI10_139_a_d_e:Ce-Co-P +mp-1203867,CeCo5P3,-7.2285372297,-0.8158054908,0.0,-0.0250032773,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Ce-Co-P,36.0,AB5C3_oP36_62_c_5c_3c:Ce-Co-P +mp-18302,Mn2MoP12,-6.6288009687,-0.3535135837,0.0,-0.0022394109,GGA,C2/c,A2BC12_mC60_15_f_e_6f:Mn-Mo-P,30.0,"Invalid WP multiplicities - A2BC12_mC60_15_f_e_7f:Mn-Mo-P, expected Mn2MoP14 to be Mn2MoP12" +mp-1210673,Mn6Mo6P7,-8.8147901089,-0.5022053743,0.0219137637,0.0219137637,GGA,P-6,A6B6C7_hP19_174_jk_jk_ajk:Mn-Mo-P,19.0,A6B6C7_hP19_174_jk_jk_ajk:Mn-Mo-P +mp-10388,Nb5(PPd)4,-7.8888343615,-0.7442757103000001,0.0167741282,0.0167741282,GGA,I4/m,A5B4C4_tI26_87_ah_h_h:Nb-P-Pd,13.0,"Invalid WP multiplicities - A5B4C4_tI26_87_a2h_h_h:Nb-P-Pd, expected Nb9(PPd)4 to be Nb5(PPd)4" +mp-2976,PrBPd3,-5.939519366,-0.5395307748,0.1109127529,0.1109127529,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Pr,5.0,AB3C_cP5_221_b_c_a:B-Pd-Pr +mp-1078948,Nd(BIr)2,-7.893280707,-0.7325208402000001,0.0,-0.1014965037,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Nd,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Nd +mp-1210266,Nd(BIr)2,-7.5180562455,-0.3572963787,0.3752244615,0.2737279578,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-Ir-Nd,20.0,A2B2C_tI40_141_h_h_c:B-Ir-Nd +mp-1025068,NdB2Ir3,-8.0799354267,-0.6395631743,0.0,-0.0291291408,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Nd,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Nd +mp-9584,Nd(BIr)4,-7.9921114039,-0.565505711,0.0,-0.0694359022,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Nd,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Nd +mp-570923,YRe2,-10.6700651275,-0.2182232997,0.0,-0.2182232997,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Re-Y,12.0,"Invalid WP multiplicities - A2B_hP12_194_2a2h_f:Re-Y, expected YRe4 to be YRe2" +mp-1207859,Y(Al5Re)2,-5.6489831156,-0.35580744,0.0,-0.016726779,GGA,Cmcm,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Y,78.0,A10B2C_oC156_63_e6f2g3h_dh_cf:Al-Re-Y +mp-1215175,ZrTiW4,-11.427558545,-0.0482729506,0.0313381883,0.0313381883,GGA,F-43m,AB4C_cF24_216_a_e_c:Ti-W-Zr,6.0,AB4C_cF24_216_a_e_c:Ti-W-Zr +mp-1245443,Ca7(ZnN3)2,-5.1918946533,-0.7533842580000001,0.1241952425,0.1241952425,GGA,C2/m,A7B6C2_mC30_12_ahj_ij_i:Ca-N-Zn,15.0,A7B6C2_mC30_12_ahj_ij_i:Ca-N-Zn +mp-1029258,Ca(ZnN)2,-4.762598782,-0.522983392,0.0,-0.048019698,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-N-Zn,5.0,AB2C2_hP5_164_a_d_d:Ca-N-Zn +mp-1247535,Ca5ZnN4,-5.1778753435,-0.7145030725,0.1770301713,0.1770301713,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Ca-N-Zn,20.0,A5B4C_oP20_59_ag_ef_b:Ca-N-Zn +mp-8818,Ca2ZnN2,-5.238458658,-0.849672014,0.0,-0.1214830813,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ca-N-Zn,5.0,A2B2C_tI10_139_e_e_a:Ca-N-Zn +mp-20953,CeScS3,-7.2115740465,-2.2765924744,0.0,-0.0050396877,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ce-S-Sc,20.0,AB3C_oP20_62_c_cd_a:Ce-S-Sc +mp-20961,EuPd3S4,-6.3859865594,-1.0931807222,0.0,-0.0380021427,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:Eu-Pd-S,16.0,AB3C4_cP16_223_a_c_e:Eu-Pd-S +mp-1226961,Ce(PrS2)2,-6.88032206,-2.3030791839,0.0359400736,0.0359400736,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ce-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Ce-Pr-S +mp-1214092,Ca(TmS2)2,-6.3036515707,-2.374641543,0.0137924364,0.0096432216,GGA,Cmc2_1,AB4C2_oC28_36_a_4a_2a:Ca-S-Tm,14.0,AB4C2_oC28_36_a_4a_2a:Ca-S-Tm +mp-1194132,Ca(TmS2)2,-6.3174440071,-2.3884339794,0.0,-0.0041492148,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-S-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Ca-S-Tm +mp-36577,Sr(AsS2)2,-4.8892440386,-0.9530255056,0.0379972354,0.0379972354,GGA,P1,A2B4C_aP7_1_2a_4a_a:As-S-Sr,7.0,A2B4C_aP7_1_2a_4a_a:As-S-Sr +mp-21292,Tm3InC,-3.463179912,1.6183911865,1.9883497265,1.9883497265,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Tm,5.0,ABC3_cP5_221_a_b_c:C-In-Tm +mp-27478,Na3PaF8,-6.04628364,-3.6484442833,0.0,-2.179187506,GGA,I4/mmm,A8B3C_tI24_139_m_ad_b:F-Na-Pa,12.0,A8B3C_tI24_139_m_ad_b:F-Na-Pa +mp-1097240,Hf2VOs,-6.1611496425,3.8952632475,4.2500722342,4.2500722342,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Os-V,4.0,A2BC_oI8_71_e_a_b:Hf-Os-V +mp-1207196,Ca2H6Os,-4.6687326444,-0.7137411489000001,0.0,-0.2643952533,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Ca-H-Os,9.0,A2B6C_cF36_225_c_e_a:Ca-H-Os +mp-1184598,HOs3,-8.33054212,0.9381649637,0.9381649637,0.9381649637,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Os,4.0,AB3_cF16_225_a_bc:H-Os +mp-1206467,Sm2Br2F,-4.367489736,-1.4765481565,0.967221318,0.967221318,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-F-Sm,5.0,A2BC2_tP5_123_g_a_g:Br-F-Sm +mp-862622,BeRu2W,-9.0185563175,-0.2069692737,0.0,-0.0470189639,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ru-W,4.0,AB2C_cF16_225_a_c_b:Be-Ru-W +mp-20458,PtPbF6,-4.7475904812,-2.0910087069,0.0,-0.1036999881,GGA,R-3m,A6BC_hR24_166_h_a_b:F-Pb-Pt,8.0,A6BC_hR24_166_h_a_b:F-Pb-Pt +mp-504677,SrPbF6,-4.9084489944000005,-2.7995722033,0.1620575119,0.1620575119,GGA,P4_2/mmc,A6BC_tP16_131_acn_e_b:F-Pb-Sr,16.0,"Invalid WP multiplicities - A6BC_tP16_131_2a2c2n_e_b:F-Pb-Sr, expected SrPbF12 to be SrPbF6" +mp-1188272,Sr5Pb3F,-3.5512106044,-1.1626675551,0.0,-0.0053631458,GGA,I4/mcm,AB3C5_tI36_140_b_ah_cl:F-Pb-Sr,18.0,AB3C5_tI36_140_b_ah_cl:F-Pb-Sr +mp-1216267,Y3(FeRu2)2,-8.4116747906,-0.2520007994,0.0,-0.0037449397,GGA,P-1,A2B4C3_aP18_2_cei_bd3i_3i:Fe-Ru-Y,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cei_bd4i_5i:Fe-Ru-Y, expected Y5Fe2Ru5 to be Y3(FeRu2)2" +mp-1016877,HgRhO3,-5.079618962,-0.5780080883000001,0.4093494525,0.4093494525,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Rh,5.0,AB3C_cP5_221_a_c_b:Hg-O-Rh +mp-1208611,Th6Mn23H44,-5.7071235097,-0.1661721783,0.0747339166,0.0747339166,GGA,Fm-3m,A44B23C6_cF292_225_fhk_ad2f_e:H-Mn-Th,73.0,A44B23C6_cF292_225_fhk_ad2f_e:H-Mn-Th +mp-24416,MnH,-6.1369789575,0.140391711,0.1492095988,0.1492095988,GGA,P6_3/mmc,AB_hP4_194_c_a:H-Mn,4.0,AB_hP4_194_c_a:H-Mn +mp-1179303,Th6Mn23H16,-7.0417448444,-0.1641200014,0.1288522122,0.1288522122,GGA,P4_2/mnm,A16B23C6_tP90_136_ijk_acj2k_efg:H-Mn-Th,90.0,A16B23C6_tP90_136_ijk_acj2k_efg:H-Mn-Th +mp-1222194,Mn29H2,-8.8063010661,-0.0164979835,0.0,-0.0164979835,GGA,Cm,A2B29_mC62_8_b_7a11b:H-Mn,31.0,"Invalid WP multiplicities - A2B29_mC62_8_b_7a18b:H-Mn, expected Mn43H2 to be Mn29H2" +mp-631565,GaAs2W,-5.644760375,0.6813553906,0.8913708163,0.8913708163,GGA,F-43m,A2BC_cF16_216_ac_b_d:As-Ga-W,4.0,A2BC_cF16_216_ac_b_d:As-Ga-W +mp-864650,Ta2OsW,-12.2738091,-0.29854587,0.0,-0.0564136436,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-Ta-W,4.0,AB2C_cF16_225_a_c_b:Os-Ta-W +mp-1095872,Y2BePb,-2.771172685,2.3250778554,2.7676991067000003,2.7676991067000003,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Be-Pb-Y +mp-1183495,BePb3,-3.1912899825,0.5280485363,0.5280485363,0.5280485363,GGA,I4/mmm,AB3_tI8_139_a_bd:Be-Pb,4.0,AB3_tI8_139_a_bd:Be-Pb +mp-1183526,BePb3,-3.1589810062,0.5603575125,0.5603575125,0.5603575125,GGA,P6_3/mmc,AB3_hP8_194_c_h:Be-Pb,8.0,AB3_hP8_194_c_h:Be-Pb +mp-7823,V2NiSe4,-6.2791955114,-0.8603962642,0.0146027062,0.0146027062,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-Se-V,7.0,AB4C2_mC14_12_a_2i_i:Ni-Se-V +mp-569662,V2NiSe4,-6.2076019,-0.7888026528000001,0.0861963176,0.0861963176,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-Se-V,7.0,AB4C2_mC14_12_a_2i_i:Ni-Se-V +mp-1206969,U2BiTe2,-6.217472374,0.3245118133,0.9696056598,0.9696056598,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Bi-Te-U,5.0,AB2C2_tP5_123_a_g_g:Bi-Te-U +mp-972408,UBiTe,-6.6678457483,-0.5761107372000001,0.0,-0.0770650636,GGA,P4/nmm,ABC_tP6_129_a_c_c:Bi-Te-U,6.0,ABC_tP6_129_a_c_c:Bi-Te-U +mp-998749,KCaBr3,-3.824431044,-2.2694142806,0.054550366,0.03384867,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Ca-K,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Ca-K, expected KCaBr5 to be KCaBr3" +mp-1211648,KCaBr3,-3.878593241,-2.3235764776,0.000388169,-0.020313527,GGA,Pnma,A3BC_oP20_62_cd_a_c:Br-Ca-K,20.0,A3BC_oP20_62_cd_a_c:Br-Ca-K +mp-998599,KCaBr3,-3.87898141,-2.3239646466,0.0,-0.020701696,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Br-Ca-K,10.0,A3BC_oC20_63_cf_a_c:Br-Ca-K +mp-22379,Y3(Co2Sn)4,-6.4688193623,-0.3152031543,0.0077142197,0.0077142197,GGA,P6_3mc,A8B4C3_hP30_186_ab2c_bc_c:Co-Sn-Y,30.0,"Invalid WP multiplicities - A8B4C3_hP30_186_ab4c_bc_c:Co-Sn-Y, expected Y3(Co7Sn2)2 to be Y3(Co2Sn)4" +mp-1095491,YCoSn,-6.3562594067,-0.4948058189,0.0074379108,0.0074379108,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Sn-Y,12.0,ABC_oP12_62_c_c_c:Co-Sn-Y +mp-1196839,Y7Co6Sn23,-5.1312730942,-0.1275131712,0.2909588828,0.2647234518,GGA,P-3m1,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Y,36.0,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Y +mp-1198642,Y7Co6Sn23,-5.4222319769,-0.4184720539,0.0,-0.026235431,GGA,P-3m1,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Y,36.0,A6B23C7_hP36_164_i_b2dg2i_ai:Co-Sn-Y +mp-1207776,Y3Co6Sn5,-6.2128713664,-0.3487871246,0.0203077077,0.0203077077,GGA,Immm,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Y,14.0,A6B5C3_oI28_71_fm_bm_ai:Co-Sn-Y +mp-1207811,Y6Co2Sn,-6.6694171739,-0.3333022711,0.0061536495,0.0061536495,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Y,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-Sn-Y +mp-3804,Sr(PRu)2,-7.14057663,-0.9275959207,0.0,-0.2630229993,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Ru-Sr,5.0,A2B2C_tI10_139_e_d_a:P-Ru-Sr +mp-680480,K6CdPb8,-2.6364125504,-0.1506485503,0.0451070692,0.0451070692,GGA,C2/m,AB6C8_mC90_12_ai_9i_6i3j:Cd-K-Pb,45.0,"Invalid WP multiplicities - AB6C8_mC90_12_a2i_16i_12i11j:Cd-K-Pb, expected K32Cd5Pb68 to be K6CdPb8" +mp-1245369,NbAgN2,-7.8026628819,-0.4009501585,0.2631033057,0.2631033057,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ag-N-Nb,64.0,AB2C_oP64_61_2c_4c_2c:Ag-N-Nb +mp-975064,HoReB4,-7.8867648658,-0.5960143428,0.0,-0.0055043798,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Re,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Re +mp-973395,Ho3ReB7,-7.2618333409,-0.6302427781000001,0.0,-0.0219367075,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Ho-Re,22.0,A7B3C_oC44_63_c3f_cf_c:B-Ho-Re +mp-1204735,Ho2ReB6,-7.4986961886,-0.6447300164,0.0,-0.0324769439,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Ho-Re,36.0,A6B2C_oP36_55_6h_2g_g:B-Ho-Re +mp-631503,ZrAlW,-7.69758655,0.7195490133,1.0613911092,1.0613911092,GGA,F-43m,ABC_cF12_216_a_c_b:Al-W-Zr,3.0,ABC_cF12_216_a_c_b:Al-W-Zr +mp-1215252,ZrAlW4,-10.5748062417,0.112826655,0.2837477029,0.2837477029,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-W-Zr,6.0,AB4C_cF24_216_a_e_c:Al-W-Zr +mp-979715,YHoAl2,-5.03894324,-0.4039353292,0.0145529868,0.0145529868,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ho-Y,4.0,A2BC_cF16_225_c_a_b:Al-Ho-Y +mp-1228943,AlGa3N4,-6.6559930713,-0.8840126216,0.0046992812,0.0046992812,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Al-Ga-N,8.0,AB3C4_mP8_6_a_a2b_2a2b:Al-Ga-N +mp-1019508,AlGa3N4,-6.6493770888,-0.8773966391,0.0113152637,0.0113152637,GGA,P-43m,AB3C4_cP8_215_a_c_e:Al-Ga-N,8.0,AB3C4_cP8_215_a_c_e:Al-Ga-N +mp-1008556,AlGaN2,-6.96674148,-1.1050760544,0.0155308825,0.0155308825,GGA,P-4m2,ABC2_tP4_115_a_c_g:Al-Ga-N,4.0,ABC2_tP4_115_a_c_g:Al-Ga-N +mp-1228894,AlGaN2,-6.9728049975,-1.1111395719,0.009467365,0.009467365,GGA,P3m1,ABC2_hP4_156_a_b_ab:Al-Ga-N,4.0,ABC2_hP4_156_a_b_ab:Al-Ga-N +mp-1228953,Al2GaN3,-7.1893818683,-1.2679264587,0.0072771675,0.0072771675,GGA,Cm,A2BC3_mC24_8_4a_2a_6a:Al-Ga-N,12.0,A2BC3_mC24_8_4a_2a_6a:Al-Ga-N +mp-1228436,Al3GaN4,-7.29871816,-1.3473677584,0.0051342125,0.0051342125,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Al-Ga-N,8.0,A3BC4_mP8_6_a2b_a_2a2b:Al-Ga-N +mp-1019378,Al3GaN4,-7.2850657462,-1.3337153447,0.0187866262,0.0187866262,GGA,P-43m,A3BC4_cP8_215_c_a_e:Al-Ga-N,8.0,A3BC4_cP8_215_c_a_e:Al-Ga-N +mp-1204718,Mn2O3,-8.5706158437,-1.9377965002,0.0768867196,0.0523746582,GGA+U,P-1,A2B3_aP80_2_abcdefgh12i_24i:Mn-O,80.0,A2B3_aP80_2_abcdefgh12i_24i:Mn-O +mp-1349371,Mn2O3,-5.7771233551000005,0.8556959885000001,2.8703792082,2.8458671469,GGA+U,P-1,A2B3_aP80_2_abcdefgh12i_24i:Mn-O,80.0,A2B3_aP80_2_abcdefgh12i_24i:Mn-O +mp-1306224,Mn2O3,-8.597185074,-1.9643657304,0.0503174894,0.025805428,GGA+U,C2/c,A2B3_mC20_15_f_ef:Mn-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_2e3f:Mn-O, expected MnO4 to be Mn2O3" +mp-1303934,Mn2O3,-8.588898495,-1.9560791514,0.0586040684,0.034092007,GGA+U,C2/c,A2B3_mC20_15_f_ef:Mn-O,10.0,"Invalid WP multiplicities - A2B3_mC20_15_f_e2f:Mn-O, expected Mn2O5 to be Mn2O3" +mp-771717,Mn2O3,-8.559299829,-1.9264804854,0.0882027344,0.063690673,GGA+U,Pna2_1,A2B3_oP40_33_4a_6a:Mn-O,40.0,"Invalid WP multiplicities - A2B3_oP40_33_15a_20a:Mn-O, expected Mn3O4 to be Mn2O3" +mp-565203,Mn2O3,-8.6473419289,-2.0145225853,0.0001606345,-0.0243514269,GGA+U,Pbca,A2B3_oP80_61_ab3c_6c:Mn-O,80.0,"Invalid WP multiplicities - A2B3_oP80_61_4a4b15c_38c:Mn-O, expected MnO2 to be Mn2O3" +mp-1172875,Mn2O3,-8.6475025634,-2.0146832198,0.0,-0.0245120614,GGA+U,Pbca,A2B3_oP80_61_ab3c_6c:Mn-O,80.0,A2B3_oP80_61_ab3c_6c:Mn-O +mp-1043363,Mn2O3,-8.4201560815,-1.7873367379,0.2273464819,0.2028344205,GGA+U,Cmcm,A2B3_oC40_63_2f_ac2f:Mn-O,20.0,A2B3_oC40_63_2f_ac2f:Mn-O +mp-778470,Mn2O3,-8.5686511417,-1.9358317982,0.0788514216,0.0543393602,GGA+U,P4_12_12,A2B3_tP160_92_2a7b_12b:Mn-O,160.0,"Invalid WP multiplicities - A2B3_tP160_92_8a47b_90b:Mn-O, expected Mn17O30 to be Mn2O3" +mp-1203190,Mn2O3,-8.5710964841,-1.9382771405,0.0764060792,0.0518940179,GGA+U,R-3,A2B3_hR240_148_ab3cde3f_8f:Mn-O,80.0,A2B3_hR240_148_ab3cde3f_8f:Mn-O +mp-770543,Mn2O3,-8.583230503,-1.9504111594,0.0642720604,0.039759999,GGA+U,R-3c,A2B3_hR30_167_c_e:Mn-O,10.0,A2B3_hR30_167_c_e:Mn-O +mp-1182678,Mn2O3,-8.225788237,-1.5929688934,0.4217143264,0.397202265,GGA+U,I2_13,A2B3_cI80_199_a2b_2c:Mn-O,40.0,A2B3_cI80_199_a2b_2c:Mn-O +mp-510604,Mn2O3,-8.6407192188,-2.0078998752,0.0067833446,-0.0177287168,GGA+U,Ia-3,A2B3_cI80_206_ad_e:Mn-O,40.0,A2B3_cI80_206_ad_e:Mn-O +mp-849596,Mn21O40,-8.1949761841,-1.7971094696,0.0436678604,0.0436678604,GGA+U,C2,A21B40_mC122_5_a10c_20c:Mn-O,61.0,"Invalid WP multiplicities - A21B40_mC122_5_a20c_40c:Mn-O, expected Mn41O80 to be Mn21O40" +mp-766493,Mn21O40,-8.1853712626,-1.7875045481,0.0532727819,0.0532727819,GGA+U,I-4,A21B40_tI122_82_a5g_10g:Mn-O,61.0,"Invalid WP multiplicities - A21B40_tI122_82_a15g_36g:Mn-O, expected Mn61O144 to be Mn21O40" +mp-1104282,Mn2O5,-7.3030515814,-1.1519838471,0.3965974123,0.3965974123,GGA+U,Pbam,A2B5_oP14_55_g_agh:Mn-O,14.0,A2B5_oP14_55_g_agh:Mn-O +mp-867971,Mn15O32,-7.9204586134,-1.6284529083,0.101345307,0.101345307,GGA+U,C2/m,A15B32_mC94_12_afhi2j_4i6j:Mn-O,47.0,"Invalid WP multiplicities - A15B32_mC94_12_a2ehi7j_8i16j:Mn-O, expected Mn37O80 to be Mn15O32" +mp-776603,Mn15O32,-7.9242449319,-1.6322392268,0.0975589885,0.0975589885,GGA+U,C2/m,A15B32_mC94_12_aef3ij_8i4j:Mn-O,47.0,"Invalid WP multiplicities - A15B32_mC94_12_a2e2f6i4j_16i15j:Mn-O, expected Mn37O92 to be Mn15O32" +mp-1180876,Mn3O4,-8.6183106775,-1.8650534316,0.1860828339,0.1396789092,GGA+U,P2_1,A3B4_mP28_4_6a_8a:Mn-O,28.0,"Invalid WP multiplicities - A3B4_mP28_4_10a_13a:Mn-O, expected Mn10O13 to be Mn3O4" +mp-638270,Mn3O4,-8.5856961829,-1.832438937,0.2186973286,0.1722934038,GGA+U,Pm,A3B4_mP28_6_6a6b_8a8b:Mn-O,28.0,A3B4_mP28_6_6a6b_8a8b:Mn-O +mp-1279995,Mn3O4,-8.7493671836,-1.9961099377,0.0550263279,0.0086224031,GGA+U,Pmc2_1,A3B4_oP28_26_ab2c_ab3c:Mn-O,28.0,A3B4_oP28_57_de_cde:Mn-O +mp-20141,Mn3O4,-8.7518562679,-1.998599022,0.0525372436,0.0061333188,GGA+U,Pbcm,A3B4_oP28_57_de_cde:Mn-O,28.0,"Invalid WP multiplicities - A3B4_oP28_57_2d2e_cde:Mn-O, expected Mn3O2 to be Mn3O4" +mp-1180464,Mn3O4,-8.2249695846,-1.4717123388,0.5794239268,0.5330200021,GGA+U,Pbcm,A3B4_oP28_57_de_cde:Mn-O,28.0,"Invalid WP multiplicities - A3B4_oP28_57_3d3e_2c3d4e:Mn-O, expected Mn9O13 to be Mn3O4" +mp-1193728,Mn3O4,-8.5854188846,-1.8321616388,0.2189746268,0.1725707021,GGA+U,Pbcm,A3B4_oP28_57_de_cde:Mn-O,28.0,A3B4_oC28_63_cf_acf:Mn-O +mp-1194100,Mn3O4,-8.5817143964,-1.8284571505,0.222679115,0.1762751903,GGA+U,Cmcm,A3B4_oC28_63_cf_acf:Mn-O,28.0,A3B4_oC28_63_cf_acf:Mn-O +mp-18759,Mn3O4,-8.8043935114,-2.0511362655,0.0,-0.0464039247,GGA+U,I4_1/amd,A3B4_tI28_141_ad_h:Mn-O,14.0,A3B4_tI28_141_ad_h:Mn-O +mp-1045833,Mn9O13,-8.4693323423,-1.798191848,0.2280900682,0.2280900682,GGA+U,C2/m,A9B13_mC44_12_a4i_d6i:Mn-O,22.0,A9B13_mC44_12_a4i_c6i:Mn-O +mp-18922,Mn5O8,-8.5253119585,-1.9573437931,0.0093382536,0.0093382536,GGA+U,C2/m,A5B8_mC26_12_ahi_2ij:Mn-O,13.0,A5B8_mC26_12_ahi_2ij:Mn-O +mp-752536,Mn5O8,-8.4549092923,-1.8869411269,0.0797409197,0.0797409197,GGA+U,R-3m,A5B8_hR39_166_abd_ch:Mn-O,13.0,"Invalid WP multiplicities - A5B8_hR39_166_abd_2ch:Mn-O, expected MnO2 to be Mn5O8" +mp-1221594,MnO4,-6.364089424,-0.5743353966,0.509671485,0.509671485,GGA+U,I4_1/amd,AB4_tI20_141_a_h:Mn-O,10.0,AB4_tI20_141_a_h:Mn-O +mp-34263,Mn2TcO4,-8.7831482136,-1.8586590173,0.0802065911,0.0802065911,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Mn-O-Tc,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_2hi_c:Mn-O-Tc, expected Mn2TcO6 to be Mn2TcO4" +mp-1222372,Mn20O43,-7.8915115397,-1.6066239139,0.1140219299,0.1140219299,GGA+U,P-1,A20B43_aP63_2_10i_a21i:Mn-O,63.0,"Invalid WP multiplicities - A20B43_aP63_2_20i_a41i:Mn-O, expected Mn40O83 to be Mn20O43" +mp-796077,MnO2,-6.68416652,-0.3323689485,1.4743091875,1.4076894269,GGA+U,P-1,AB2_aP3_2_a_i:Mn-O,3.0,AB2_aP3_2_a_i:Mn-O +mp-1350912,MnO2,-7.9122218235,-1.560424252,0.246253884,0.1796341233,GGA+U,Cm,AB2_mC96_8_8a4b_16a8b:Mn-O,48.0,"Invalid WP multiplicities - AB2_mC96_8_8a7b_16a16b:Mn-O, expected Mn11O24 to be MnO2" +mp-796336,MnO2,-8.1520612411,-1.8002636696,0.0064144664,-0.0602052942,GGA+U,P2/m,AB2_mP18_10_cemn_3m3n:Mn-O,18.0,AB2_mP18_10_aemn_3m3n:Mn-O +mp-644514,MnO2,-8.1419084433,-1.7901108718,0.0165672642,-0.0500524965,GGA+U,C2/m,AB2_mC18_12_ai_3i:Mn-O,9.0,AB2_mC18_12_ai_3i:Mn-O +mp-1221574,MnO2,-6.591094535,-0.2392969635,1.5673811725,1.5007614119,GGA+U,Fdd2,AB2_oF24_43_a_b:Mn-O,6.0,AB2_oF24_43_a_b:Mn-O +mp-33009,MnO2,-8.1286496017,-1.7768520301,0.0298261058,-0.0367936548,GGA+U,Pnnm,AB2_oP6_58_a_g:Mn-O,12.0,AB2_oP6_58_a_g:Mn-O +mp-510732,MnO2,-7.9904197817,-1.6386222101,0.1680559258,0.1014361652,GGA+U,Pmmn,AB2_oP6_59_a_2b:Mn-O,6.0,AB2_oP6_59_a_2b:Mn-O +mp-19326,MnO2,-8.1540226133,-1.8022250418,0.0044530942,-0.0621666665,GGA+U,Pnma,AB2_oP12_62_c_2c:Mn-O,12.0,AB2_oP12_62_c_2c:Mn-O +mp-1354190,MnO2,-8.1331061179,-1.7813085464,0.0253695896,-0.0412501711,GGA+U,Pnma,AB2_oP24_62_2c_4c:Mn-O,24.0,"Invalid WP multiplicities - AB2_oP24_62_2c_13c:Mn-O, expected Mn2O13 to be MnO2" +mp-1371977,MnO2,-7.952038475,-1.6002409035,0.2064372325,0.1398174719,GGA+U,Cmcm,AB2_oC24_63_f_acf:Mn-O,12.0,"Invalid WP multiplicities - AB2_oC24_63_f_2a2c3f:Mn-O, expected MnO5 to be MnO2" +mp-796340,MnO2,-8.1513908428,-1.7995932713,0.0070848647,-0.0595348959,GGA+U,P4_2/m,AB2_tP18_84_cj_3j:Mn-O,18.0,AB2_tP18_84_cj_3j:Mn-O +mp-19395,MnO2,-8.1584757075,-1.806678136,0.0,-0.0666197606,GGA+U,I4/m,AB2_tI24_87_h_2h:Mn-O,12.0,AB2_tI24_87_h_2h:Mn-O +mp-1221542,MnO2,-7.7305138633,-1.3787162918,0.4279618442,0.3613420835,GGA+U,P4/mmm,AB2_tP3_123_a_bc:Mn-O,3.0,AB2_tP3_123_a_bc:Mn-O +mp-510408,MnO2,-8.1287306467,-1.7769330751,0.0297450608,-0.0368746998,GGA+U,P4_2/mnm,AB2_tP6_136_a_f:Mn-O,12.0,AB2_tP6_136_a_f:Mn-O +mp-705430,MnO2,-8.0634493428,-1.7116517713,0.0950263647,0.0284066041,GGA+U,P3m1,AB2_hP72_156_2a3bc6d_4a4b4c12d:Mn-O,72.0,"Invalid WP multiplicities - AB2_hP72_156_2a3bc12d_4a4b4c34d:Mn-O, expected Mn7O19 to be MnO2" +mp-1354468,MnO2,-8.0618573631,-1.7100597915,0.0966183444,0.0299985838,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Mn-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c15d:Mn-O, expected Mn8O17 to be MnO2" +mp-1041066,MnO2,-8.0064932803,-1.6546957088,0.1519824272,0.0853626666,GGA+U,P3m1,AB2_hP36_156_2ab3d_2a2b2c6d:Mn-O,36.0,"Invalid WP multiplicities - AB2_hP36_156_2ab7d_2a2b2c13d:Mn-O, expected Mn8O15 to be MnO2" +mp-1407587,MnO2,-7.9486007075,-1.596803136,0.2098749999999999,0.1432552394,GGA+U,R3m,AB2_hR36_160_ab_2a2b:Mn-O,12.0,AB2_hR36_160_ab_2a2b:Mn-O +mp-25223,MnO2,-8.1387294933,-1.7869319218,0.0197462142,-0.0468735465,GGA+U,P-3m1,AB2_hP3_164_a_d:Mn-O,3.0,AB2_hP3_164_a_d:Mn-O +mp-755671,MnO2,-8.14497383,-1.7931762585,0.0135018775,-0.0531178831,GGA+U,R-3m,AB2_hR18_166_ab_2c:Mn-O,6.0,"Invalid WP multiplicities - AB2_hR18_166_ab_3c:Mn-O, expected MnO3 to be MnO2" +mp-25424,MnO2,-8.1447171267,-1.7929195551,0.0137585808,-0.0528611798,GGA+U,R-3m,AB2_hR9_166_a_c:Mn-O,3.0,AB2_hR9_166_a_c:Mn-O +mp-1272141,MnO2,-8.14445736,-1.7926597885,0.0140183475,-0.0526014131,GGA+U,R-3m,AB2_hR9_166_a_c:Mn-O,3.0,AB2_hR9_166_a_c:Mn-O +mp-755489,MnO2,-8.1290067404,-1.7772091689,0.0294689671,-0.0371507936,GGA+U,P6_3mc,AB2_hP24_186_bc_ab2c:Mn-O,24.0,"Invalid WP multiplicities - AB2_hP24_186_2b3c_a2b9c:Mn-O, expected Mn11O30 to be MnO2" +mp-1271850,MnO2,-8.1433320008,-1.7915344293,0.0151437067,-0.051476054,GGA+U,P6_3/mmc,AB2_hP6_194_a_f:Mn-O,12.0,AB2_hP6_194_a_f:Mn-O +mp-25275,MnO2,-8.1255452575,-1.773747686,0.03293045,-0.0336893106,GGA+U,Fd-3m,AB2_cF48_227_c_e:Mn-O,12.0,AB2_cF48_227_c_e:Mn-O +mp-28338,Mn2O7,-6.7648247324,-0.8813967809000001,0.3230553097,0.3230553097,GGA+U,P2_1/c,A2B7_mP72_14_4e_14e:Mn-O,72.0,A2B7_mP72_14_4e_14e:Mn-O +mp-754430,Mn7O12,-8.3679857095,-1.8682819421,0.0478725537,0.0478725537,GGA+U,Im-3,A7B12_cI38_204_bc_g:Mn-O,19.0,"Invalid WP multiplicities - A7B12_cI38_204_2b2c_g:Mn-O, expected Mn7O6 to be Mn7O12" +mp-1046066,Mn5O7,-8.50458784,-1.8015130534,0.2344344431,0.2344344431,GGA+U,Cmcm,A5B7_oC48_63_a2f_c3f:Mn-O,24.0,"Invalid WP multiplicities - A5B7_oC48_63_a3f_c3f:Mn-O, expected MnO to be Mn5O7" +mp-1232659,MnO,-9.0314744738,-1.9771224721,0.0027326712,-0.1823782397,GGA+U,Pmmn,AB_oP4_59_a_b:Mn-O,8.0,AB_cF8_225_a_b:Mn-O +mp-999539,MnO,-9.0290038912,-1.9746518896,0.0052032537,-0.1799076572,GGA+U,P6_3mc,AB_hP4_186_b_b:Mn-O,8.0,AB_hP4_186_b_b:Mn-O +mp-1238773,MnO,-8.671878595,-1.6175265933,0.36232855,0.177217639,GGA+U,P-6m2,AB_hP2_187_a_c:Mn-O,2.0,AB_hP2_187_a_c:Mn-O +mp-1238899,MnO,-8.954418885,-1.9000668833,0.07978826,-0.105322651,GGA+U,F-43m,AB_cF8_216_a_c:Mn-O,2.0,AB_cF8_216_a_c:Mn-O +mp-19006,MnO,-9.034207145,-1.9798551433,0.0,-0.185110911,GGA+U,Fm-3m,AB_cF8_225_a_b:Mn-O,4.0,AB_cF8_225_a_b:Mn-O +mp-1221945,Mn8O17,-7.937398572,-1.6418053549,0.0926056557,0.0926056557,GGA+U,P-1,A8B17_aP25_2_4i_a8i:Mn-O,25.0,"Invalid WP multiplicities - A8B17_aP25_2_6i_a12i:Mn-O, expected Mn12O25 to be Mn8O17" +mp-1086672,MnO3,-6.8757110612000005,-0.8751907048,0.4798178972,0.4798178972,GGA+U,Imma,AB3_oI16_74_a_eg:Mn-O,8.0,AB3_oI16_74_a_eg:Mn-O +mp-864911,AcMnO3,-8.599044686,-2.9743933993,0.0,-0.0978359563,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Mn-O,5.0,ABC3_cP5_221_a_b_c:Ac-Mn-O +mp-1226253,CrSiW,-9.4539635258,-0.1084649492,0.1503799758,0.1503799758,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Si-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Si-W, expected Cr2Si2W3 to be CrSiW" +mp-1208053,U2Nb3Si4,-8.7822442661,-0.4946879039,0.0,-0.0163739783,GGA,P4_12_12,A3B4C2_tP36_92_ab_2b_b:Nb-Si-U,36.0,A3B4C2_tP36_92_ab_2b_b:Nb-Si-U +mp-1065844,RbS,-3.309634855,-0.7511428853000001,0.4087960408,0.3637512569,GGA,P2_1/m,AB_mP4_11_e_e:Rb-S,4.0,AB_mP4_11_e_e:Rb-S +mp-1179684,RbS,-2.7209795750000003,-0.1624876053,0.9974513208,0.9524065369,GGA,C2/m,AB_mC4_12_a_c:Rb-S,2.0,AB_mC4_12_a_c:Rb-S +mp-729971,RbS,-3.542610365,-0.9841183953,0.1758205308,0.1307757469,GGA,Cmcm,AB_oC8_63_c_c:Rb-S,4.0,AB_oC8_63_c_c:Rb-S +mp-558071,RbS,-3.714505895,-1.1560139253,0.0039250008,-0.0411197831,GGA,Immm,AB_oI8_71_e_g:Rb-S,4.0,AB_oI8_71_e_g:Rb-S +mp-1179681,RbS,-3.28303528,-0.7245433103000001,0.4353956158,0.3903508319,GGA,P4/mmm,AB_tP2_123_a_d:Rb-S,2.0,AB_tP2_123_a_d:Rb-S +mp-1179682,RbS,-3.224784415,-0.6662924453,0.4936464808,0.4486016969,GGA,P4/mmm,AB_tP2_123_a_d:Rb-S,2.0,AB_tP2_123_a_d:Rb-S +mp-9062,RbS,-3.7184308958,-1.1599389261,0.0,-0.045044784,GGA,P-62m,AB_hP12_189_fg_eh:Rb-S,12.0,AB_hP12_189_fg_eh:Rb-S +mp-1057750,RbS,-3.224780625,-0.6662886553,0.4936502708,0.4486054869,GGA,Pm-3m,AB_cP2_221_a_b:Rb-S,2.0,AB_cP2_221_a_b:Rb-S +mp-1057437,RbS,-3.127754045,-0.5692620753000001,0.5906768508,0.5456320669,GGA,Fm-3m,AB_cF8_225_a_b:Rb-S,2.0,AB_cF8_225_a_b:Rb-S +mp-7446,Rb2S3,-3.961274149,-1.0871905999,0.0,-0.0224385382,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:Rb-S,10.0,A2B3_oC20_36_2a_ab:Rb-S +mp-14858,Rb4Tc6S13,-6.3136901559,-1.1023937111,0.0,-0.0554254686,GGA,C2/c,A4B13C6_mC92_15_2f_e6f_3f:Rb-S-Tc,46.0,"Invalid WP multiplicities - A4B13C6_mC92_15_2f_e7f_3f:Rb-S-Tc, expected Rb4(Tc2S5)3 to be Rb4Tc6S13" +mp-685928,Rb5Tc3S7,-5.4634741047,-1.1341583536,0.0,-0.0521162224,GGA,Cm,A5B7C3_mC60_8_4a3b_6a4b_2a2b:Rb-S-Tc,30.0,"Invalid WP multiplicities - A5B7C3_mC60_8_4a5b_6a8b_2a4b:Rb-S-Tc, expected Rb7Tc5S11 to be Rb5Tc3S7" +mp-16911,Rb2S5,-4.1907267136,-0.9559670737,0.0,-0.1794023595,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:Rb-S,28.0,A2B5_oP28_19_2a_5a:Rb-S +mp-1102384,Rb2S,-3.1661319967,-1.1336259927,0.02744072,-0.3603333753,GGA,Pnma,A2B_oP12_62_2c_c:Rb-S,12.0,A2B_oP12_62_2c_c:Rb-S +mp-721469,Rb2S,-3.1059461583,-1.0734401544,0.0876265583,-0.3001475369,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Rb-S,6.0,A2B_hP6_194_ac_d:Rb-S +mp-8041,Rb2S,-3.1935727167,-1.1610667127,0.0,-0.3877740953,GGA,Fm-3m,A2B_cF12_225_c_a:Rb-S,3.0,A2B_cF12_225_c_a:Rb-S +mp-9481,TcS2,-7.16592816,-0.9547486004,0.0,-0.9547486004,GGA,P-1,A2B_aP12_2_4i_2i:S-Tc,12.0,A2B_aP12_2_4i_2i:S-Tc +mp-20992,Ce3InC,-6.279061686,-0.3231383485,0.0,-0.088903894,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ce-In,5.0,AB3C_cP5_221_b_c_a:C-Ce-In +mp-1069526,Ce3InC,-4.174138044,1.7817852935,2.104923642,2.016019748,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ce-In,5.0,AB3C_cP5_221_a_c_b:C-Ce-In +mp-1189253,DyMoC2,-8.7273160131,-0.2498740294,0.0565961259,0.0565961259,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Dy-Mo,16.0,A2BC_oP16_62_2c_c_c:C-Dy-Mo +mp-1025363,Dy2Mo2C3,-8.7203759457,-0.3502516061,0.0,-0.1166113126,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Dy-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Dy-Mo +mp-21888,Tm3SnC,-3.826491924,1.5066567995,2.0414656259,2.0414656259,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Sn-Tm,5.0,ABC3_cP5_221_a_b_c:C-Sn-Tm +mp-1097667,YScTl2,-2.4529691375,1.9280874904,2.2100088979,2.2100088979,GGA,Immm,AB2C_oI8_71_a_e_b:Sc-Tl-Y,4.0,AB2C_oI8_71_a_e_b:Sc-Tl-Y +mp-680500,PtXeF11,-3.2230305269,-1.1358323629,0.0293782852,0.0293782852,GGA,Pnma,A11BC_oP52_62_5c3d_c_c:F-Pt-Xe,52.0,"Invalid WP multiplicities - A11BC_oP52_62_17c20d_c_c:F-Pt-Xe, expected PtXeF57 to be PtXeF11" +mp-1097571,Hf2VRe,-6.1320405875,4.2286622413,4.4435570701,4.4435570701,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-Re-V,4.0,A2BC_oI8_71_e_a_b:Hf-Re-V +mp-1096353,MnV2Tc,-5.9363016725,3.4863149218,3.814558175,3.814558175,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Tc-V,4.0,ABC2_oI8_71_a_b_e:Mn-Tc-V +mp-631396,KFeTc2,-6.158436465,1.4169880468,1.4169880468,1.4169880468,GGA,F-43m,ABC2_cF16_216_a_c_bd:Fe-K-Tc,4.0,ABC2_cF16_216_a_c_bd:Fe-K-Tc +mp-558960,Dy2Tc2O7,-8.6958044245,-2.8265614656,0.0241204005,0.0241204005,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Tc,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-Tc, expected DyTcO10 to be Dy2Tc2O7" +mp-1025365,Sc(VGa2)2,-5.6412796714,-0.4108989093,0.0,-0.0417437979,GGA,I4/mmm,A4BC2_tI14_139_h_a_d:Ga-Sc-V,7.0,A4BC2_tI14_139_h_a_d:Ga-Sc-V +mp-1097132,Y2HgPb,-2.54558187,1.6917355454,2.2047309746,2.2047309746,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Hg-Pb-Y +mp-532089,Ca20Er10F69,-6.4883471561,-4.289546808,0.017127399,0.017127399,GGA,P-1,A20B10C69_aP99_2_be9i_5i_a34i:Ca-Er-F,99.0,"Invalid WP multiplicities - A20B10C69_aP99_2_be18i_10i_a67i:Ca-Er-F, expected Ca38Er20F135 to be Ca20Er10F69" +mp-20805,PdPbF4,-4.8468047617,-2.0903973033,0.0,-0.0219058081,GGA,I4/mcm,A4BC_tI24_140_l_a_d:F-Pb-Pd,12.0,A4BC_tI24_140_l_a_d:F-Pb-Pd +mp-1209528,PdPb2F6,-4.9655604367,-2.2906660194,0.0,-0.0029318144,GGA,Cmce,A6B2C_oC36_64_eg_d_a:F-Pb-Pd,18.0,A6B2C_oC36_64_eg_d_a:F-Pb-Pd +mp-1217551,U3Ga2Ge3,-6.8238096369,-0.0988714319,0.1562615433,0.1562615433,GGA,Fmm2,A2B3C3_oF64_42_bc_bcd_c2d:Ga-Ge-U,16.0,A2B3C3_oF64_42_bc_bcd_c2d:Ga-Ge-U +mp-1207924,U3Ga2Ge3,-6.9637719344,-0.2388337294,0.0162992458,0.0162992458,GGA,I4cm,A2B3C3_tI32_108_c_ac_ac:Ga-Ge-U,16.0,A2B3C3_tI32_108_c_ac_ac:Ga-Ge-U +mp-1246854,Sr7SeN6,-5.1765986027,-0.509360374,0.422508983,0.422508983,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Se-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Se-Sr +mp-631535,BeW2Cl,-7.0094652575,0.8665872387,1.6125608872,1.6125608872,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Be-Cl-W,4.0,ABC2_cF16_225_a_b_c:Be-Cl-W +mp-22814,U2Ti3Si4,-8.1032513661,-0.5509660117,0.0186666114,0.0186666114,GGA,P2_1/c,A4B3C2_mP18_14_2e_ae_e:Si-Ti-U,18.0,"Invalid WP multiplicities - A4B3C2_mP18_14_2e_a2e_e:Si-Ti-U, expected U2Ti5Si4 to be U2Ti3Si4" +mp-10286,KMnTe2,-4.8143523275,-0.6745958211,0.0786522769,0.0786522769,GGA,I-4m2,ABC2_tI8_119_a_c_e:K-Mn-Te,4.0,ABC2_tI8_119_a_c_e:K-Mn-Te +mp-8719,K2MnTe2,-4.496368724,-0.9624837295,0.0,-0.0968702182,GGA,Ibam,A2BC2_oI20_72_j_a_j:K-Mn-Te,10.0,A2BC2_oI20_72_j_a_j:K-Mn-Te +mp-18246,K6MnTe4,-3.6516608255,-1.0700578666,0.0027208927,0.0027208927,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:K-Mn-Te,22.0,A6BC4_hP22_186_2c_b_bc:K-Mn-Te +mp-982069,YTmIr2,-8.021000805,-0.8662070808000001,0.0229339575,0.0229339575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Tm-Y +mp-1200167,Y11(In3Ge2)2,-5.7448305186,-0.6908592783,0.0,-0.029069018,GGA,I4/mmm,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Y,42.0,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Y +mp-1206898,Y2InGe2,-5.704697576,-0.7185612427,0.0072373563,0.0072373563,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Y,10.0,A2BC2_tP10_127_g_a_h:Ge-In-Y +mp-1194130,Zr4Pd2N,-8.5324591104,-0.9771646725,0.0,-0.0324827189,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Pd-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Pd-Zr +mp-770472,HoLuO3,-8.7859126255,-3.9972275208,0.082408869,0.082408869,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ho-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ho-Lu-O, expected HoLuO7 to be HoLuO3" +mp-510574,USb2Au,-6.0813584588,-0.3755348362,0.0,-0.0861982775,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Au-Sb-U,8.0,AB2C_tP8_129_a_bc_c:Au-Sb-U +mp-1224789,Ga2AsP,-4.3968896425,-0.3647364033,0.01644554,0.01644554,GGA,R3m,AB2C_hR12_160_a_2a_a:As-Ga-P,4.0,AB2C_hR12_160_a_2a_a:As-Ga-P +mp-1185148,KCl3,-2.741288955,-1.0772867232,0.0518303975,0.0518303975,GGA,I4/mmm,A3B_tI8_139_ad_b:Cl-K,4.0,A3B_tI8_139_ad_b:Cl-K +mp-23289,KCl,-3.660058225,-2.1805904215,0.07764382,-1.4623992727,GGA,Pm-3m,AB_cP2_221_a_b:Cl-K,2.0,AB_cP2_221_a_b:Cl-K +mp-23193,KCl,-3.737702045,-2.2582342415,0.0,-1.5400430927,GGA,Fm-3m,AB_cF8_225_a_b:Cl-K,2.0,AB_cF8_225_a_b:Cl-K +mp-27366,KNiCl3,-4.0177510683,-1.5305219469,0.0,-0.0052420483,GGA,P6_3cm,A3BC_hP30_185_cd_c_ab:Cl-K-Ni,30.0,A3BC_hP30_185_cd_c_ab:Cl-K-Ni +mp-30106,AsCl5,-3.2677745433,-0.9508075925,0.0,-0.1657808279,GGA,Pmmn,AB5_oP12_59_a_aef:As-Cl,12.0,"Invalid WP multiplicities - AB5_oP12_59_a_a2ef:As-Cl, expected AsCl7 to be AsCl5" +mp-23280,AsCl3,-3.7287222431,-1.1775401469,0.0,-0.3218133136,GGA,P2_12_12_1,AB3_oP16_19_a_3a:As-Cl,16.0,AB3_oP16_19_a_3a:As-Cl +mp-29028,B2AsCl2,-5.0279712175,-0.6849761642000001,0.1326104995,0.1326104995,GGA,P-1,AB2C2_aP20_2_2i_4i_4i:As-B-Cl,20.0,AB2C2_aP20_2_2i_4i_4i:As-B-Cl +mp-1206858,Rb(PRu)2,-6.693871032,-0.6226821988,0.0,-0.1725898935,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:P-Rb-Ru,5.0,A2BC2_tI10_139_e_a_d:P-Rb-Ru +mp-1202101,Ce8Re13B12,-9.1654174567,-0.3958335811,0.0,-0.0478469786,GGA,R-3m,A12B8C13_hR99_166_2f_ch_b2h:B-Ce-Re,33.0,A12B8C13_hR99_166_2f_ch_b2h:B-Ce-Re +mp-1190580,Ce2(ReB2)3,-8.6379899482,-0.5219799036,0.0,-0.0234187344,GGA,C2/c,A6B2C3_mC44_15_3f_f_ef:B-Ce-Re,22.0,A6B2C3_mC44_15_3f_f_ef:B-Ce-Re +mp-22361,CeReB4,-8.0944626737,-0.5785987699,0.0,-0.024315779,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ce-Re,24.0,A4BC_oP24_55_4h_g_g:B-Ce-Re +mp-19726,Sc3InB,-6.083283458,-0.3975868948,0.084548917,0.084548917,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-In-Sc,5.0,ABC3_cP5_221_b_a_c:B-In-Sc +mp-1069273,Gd3AlN,-9.816002046,1.046085449,1.9164974758,1.9164974758,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-Gd-N,5.0,AB3C_cP5_221_b_c_a:Al-Gd-N +mp-1246264,ZnPbN2,-5.1177117225,0.29363341,0.3069431433,0.3069431433,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Pb-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Pb-Zn +mp-1245684,Zn2PbN2,-4.238566045,0.342458783,0.3637543563,0.3637543563,GGA,I4/mcm,A2BC2_tI20_140_h_a_h:N-Pb-Zn,10.0,A2BC2_tI20_140_h_a_h:N-Pb-Zn +mp-1246541,Zn(PbN)2,-4.841510126,0.230095394,0.2407431807,0.2407431807,GGA,Pmmn,A2B2C_oP10_59_e_e_a:N-Pb-Zn,10.0,A2B2C_oP10_59_e_e_a:N-Pb-Zn +mp-1245720,Zn(PbN)2,-4.864288256,0.207317264,0.2179650507,0.2179650507,GGA,P-3m1,A2B2C_hP5_164_c_d_a:N-Pb-Zn,5.0,A2B2C_hP5_164_c_d_a:N-Pb-Zn +mp-22548,Th2CoB10,-7.4457726938,-0.6203917705,0.0,-0.0684107515,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Co-Th,26.0,"Invalid WP multiplicities - A10BC2_oP26_55_4gi_a_h:B-Co-Th, expected Th2CoB12 to be Th2CoB10" +mp-1187506,YbYZn2,-2.9744586725,-0.3430670192,0.0035757825,0.0035757825,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Y-Yb-Zn,,ABC2_cF16_225_a_b_c:Y-Yb-Zn +mp-9025,YSiAu,-5.85903846,-0.8038147456,0.0,-0.0949038658,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Si-Y,6.0,ABC_hP6_186_b_b_a:Au-Si-Y +mp-570452,Y(SiAu)2,-5.304151228,-0.5311769933,0.0,-0.0047657295,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Au-Si-Y +mp-1198785,Eu6Sb6S17,-6.7270889601,-1.3258590988,0.0,-0.0031025567,GGA,P2_12_12_1,A6B17C6_oP116_19_6a_17a_6a:Eu-S-Sb,116.0,A6B17C6_oP116_19_6a_17a_6a:Eu-S-Sb +mp-684111,Eu3Sb4S9,-6.5297561227,-1.247564925,0.0,-0.0003281598,GGA,Pnma,A3B9C4_oP64_62_3c_9c_4c:Eu-S-Sb,64.0,"Invalid WP multiplicities - A3B9C4_oP64_62_8c_35c_13c:Eu-S-Sb, expected Eu8Sb13S35 to be Eu3Sb4S9" +mp-1194437,Eu(SbS2)2,-6.0499843161,-1.0412980664,0.0404430637,0.0404430637,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-S-Sb,28.0,AB4C2_oP28_62_c_4c_2c:Eu-S-Sb +mp-1217846,Ta20Pd9S50,-7.4218069548,-1.2117185721,0.0,-0.0095589801,GGA,C2/m,A9B50C20_mC158_12_a2g2h_5i10j_2i4j:Pd-S-Ta,79.0,"Invalid WP multiplicities - A9B50C20_mC158_12_a3g3h_8i33j_4i12j:Pd-S-Ta, expected Ta56Pd13S148 to be Ta20Pd9S50" +mp-8435,Ta2PdS6,-7.14322877,-1.1749914065,0.0,-0.0443695689,GGA,C2/m,AB6C2_mC18_12_a_3i_i:Pd-S-Ta,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_4i_i:Pd-S-Ta, expected Ta2PdS8 to be Ta2PdS6" +mp-1102743,ZnS2,-3.88025058,-0.7027027988,0.0060514775,0.0060514775,GGA,Pa-3,A2B_cP12_205_c_a:S-Zn,12.0,A2B_cP12_205_c_a:S-Zn +mp-18332,Lu2ZnS4,-5.8158752604,-1.9805261007,0.001104029,0.001104029,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Lu-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Lu-S-Zn +mp-1244890,ZnS,-3.3123095126,-0.6142127742,0.4489186403,-0.0871856751,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244921,ZnS,-3.3201503896,-0.6220536512,0.4410777633,-0.0950265521,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244922,ZnS,-3.3441368012,-0.6460400628,0.4170913517,-0.1190129637,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244936,ZnS,-3.3182151107,-0.6201183723,0.4430130422,-0.0930912732,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244969,ZnS,-3.3333420456,-0.6352453072,0.4278861073,-0.1082182081,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244974,ZnS,-3.2955884196,-0.5974916812000001,0.4656397333,-0.0704645821,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244979,ZnS,-3.2792931588,-0.5811964204,0.4819349941,-0.0541693213,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244980,ZnS,-3.416701571,-0.7186048326000001,0.3445265819,-0.1915777335,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244986,ZnS,-3.3352327799,-0.6371360415,0.425995373,-0.1101089424,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1244989,ZnS,-3.3577965147,-0.6596997763,0.4034316382,-0.1326726772,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245004,ZnS,-3.3109874077,-0.6128906693,0.4502407452,-0.0858635702,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245034,ZnS,-3.3383444226,-0.6402476842,0.4228837303,-0.1132205851,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245035,ZnS,-3.3242276296,-0.6261308912,0.4370005233,-0.0991037921,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245050,ZnS,-3.2763487088,-0.5782519704,0.4848794441,-0.0512248713,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245054,ZnS,-3.2850380861,-0.5869413477000001,0.4761900668,-0.0599142486,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245062,ZnS,-3.3034630042,-0.6053662658,0.4577651487,-0.0783391667,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245068,ZnS,-3.2870284611,-0.5889317227,0.4741996918,-0.0619046236,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245070,ZnS,-3.3563398116,-0.6582430732,0.4048883413,-0.1312159741,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245082,ZnS,-3.2878809677,-0.5897842293000001,0.4733471852,-0.0627571302,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245117,ZnS,-3.3487580821,-0.6506613437000001,0.4124700708,-0.1236342446,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245121,ZnS,-3.3516917706,-0.6535950322,0.4095363823,-0.1265679331,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245122,ZnS,-3.3615386031,-0.6634418647,0.3996895498,-0.1364147656,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245136,ZnS,-3.3172396258,-0.6191428874,0.4439885271,-0.0921157883,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245169,ZnS,-3.3096237632,-0.6115270248,0.4516043897,-0.0844999257,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245194,ZnS,-3.3614580275,-0.6633612891,0.3997701254,-0.13633419,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245197,ZnS,-3.3062365955,-0.6081398571000001,0.4549915574,-0.081112758,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245199,ZnS,-3.3446731198,-0.6465763814000001,0.4165550331,-0.1195492823,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245201,ZnS,-3.3133188817,-0.6152221433,0.4479092712,-0.0881950442,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245213,ZnS,-3.348097738,-0.6500009996,0.4131304149,-0.1229739005,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245216,ZnS,-3.2937440097,-0.5956472713000001,0.4674841432,-0.0686201722,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn +mp-1245220,ZnS,-3.3232259952,-0.6251292568,0.4380021577,-0.0981021577,GGA,P1,AB_aP100_1_50a_50a:S-Zn,100.0,AB_aP100_1_50a_50a:S-Zn 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+mp-556207,ZnS,-3.760028372,-1.0619316336,0.0011997809,-0.5349045345,GGA,P3m1,AB_hP40_156_6a7b7c_6a7b7c:S-Zn,40.0,AB_hP40_156_6a7b7c_6a7b7c:S-Zn +mp-556280,ZnS,-3.7602912255,-1.0621944871,0.0009369274,-0.5351673880000001,GGA,P3m1,AB_hP40_156_6a7b7c_6a7b7c:S-Zn,40.0,AB_hP40_156_6a7b7c_6a7b7c:S-Zn +mp-556363,ZnS,-3.7602329378,-1.0621361993,0.0009952151,-0.5351091003,GGA,P3m1,AB_hP36_156_5a6b7c_5a6b7c:S-Zn,36.0,AB_hP36_156_5a6b7c_5a6b7c:S-Zn +mp-556392,ZnS,-3.7600476811,-1.0619509426,0.0011804718,-0.5349238436,GGA,P3m1,AB_hP28_156_4a5b5c_4a5b5c:S-Zn,28.0,AB_hP28_156_4a5b5c_4a5b5c:S-Zn +mp-556395,ZnS,-3.7603726469,-1.0622759084,0.000855506,-0.5352488094,GGA,P3m1,AB_hP16_156_2a3b3c_2a3b3c:S-Zn,16.0,AB_hP16_156_2a3b3c_2a3b3c:S-Zn +mp-556716,ZnS,-3.7612281529,-1.0631314144,0.0,-0.5361043154,GGA,P3m1,AB_hP28_156_4a5b5c_4a5b5c:S-Zn,28.0,AB_hP28_156_4a5b5c_4a5b5c:S-Zn +mp-556732,ZnS,-3.7602913263,-1.0621945878,0.0009368266,-0.5351674888,GGA,P3m1,AB_hP40_156_6a7b7c_6a7b7c:S-Zn,40.0,AB_hP40_156_6a7b7c_6a7b7c:S-Zn +mp-556775,ZnS,-3.7598593703,-1.0617626319,0.0013687825,-0.5347355328,GGA,P3m1,AB_hP32_156_5a5b6c_5a5b6c:S-Zn,32.0,AB_hP32_156_5a5b6c_5a5b6c:S-Zn +mp-556784,ZnS,-3.7606086409,-1.0625119025,0.0006195119,-0.5354848034,GGA,P3m1,AB_hP44_156_7a7b8c_7a7b8c:S-Zn,44.0,AB_hP44_156_7a7b8c_7a7b8c:S-Zn +mp-543011,ZnS,-3.74859746,-1.0505007216,0.0126306929,-0.5234736225000001,GGA,R3m,AB_hR42_160_7a_7a:S-Zn,14.0,AB_hR42_160_7a_7a:S-Zn +mp-608468,ZnS,-3.7095224725,-1.0114257341,0.0517056804,-0.484398635,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-13456,ZnS,-3.748806338,-1.0507095996,0.0124218149,-0.5236825005,GGA,R3m,AB_hR30_160_5a_5a:S-Zn,10.0,AB_hR30_160_5a_5a:S-Zn +mp-18377,ZnS,-3.708942829,-1.0108460906,0.0522853239,-0.4838189915,GGA,R3m,AB_hR60_160_10a_10a:S-Zn,20.0,AB_hR60_160_10a_10a:S-Zn +mp-554405,ZnS,-3.747717389,-1.0496206506,0.0135107639,-0.5225935515,GGA,R3m,AB_hR30_160_5a_5a:S-Zn,10.0,AB_hR30_160_5a_5a:S-Zn +mp-557151,ZnS,-3.7496378594,-1.0515411209,0.0115902935,-0.5245140219000001,GGA,R3m,AB_hR48_160_8a_8a:S-Zn,16.0,AB_hR48_160_8a_8a:S-Zn +mp-555280,ZnS,-3.7492747408,-1.0511780024,0.011953412,-0.5241509033,GGA,R3m,AB_hR36_160_6a_6a:S-Zn,12.0,AB_hR36_160_6a_6a:S-Zn +mp-555410,ZnS,-3.7569305113,-1.0588337728,0.0042976416,-0.5318066738,GGA,R3m,AB_hR24_160_4a_4a:S-Zn,8.0,AB_hR24_160_4a_4a:S-Zn +mp-581258,ZnS,-3.749349245,-1.0512525066,0.0118789079,-0.5242254075,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-581412,ZnS,-3.7498845008,-1.0517877624,0.011343652,-0.5247606633,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-581476,ZnS,-3.7498944542,-1.0517977157,0.0113336987,-0.5247706167,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-581601,ZnS,-3.7498953304,-1.051798592,0.0113328224,-0.5247714929,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-581602,ZnS,-3.74935774,-1.0512610016,0.0118704129,-0.5242339025,GGA,R3m,AB_hR72_160_12a_12a:S-Zn,24.0,AB_hR72_160_12a_12a:S-Zn +mp-555763,ZnS,-3.7564226367,-1.0583258982,0.0048055162,-0.5312987992,GGA,R3m,AB_hR18_160_3a_3a:S-Zn,6.0,AB_hR18_160_3a_3a:S-Zn +mp-555858,ZnS,-3.7099979025,-1.0119011641,0.0512302504,-0.484874065,GGA,R3m,AB_hR60_160_10a_10a:S-Zn,20.0,AB_hR60_160_10a_10a:S-Zn +mp-556105,ZnS,-3.709760465,-1.0116637266,0.0514676879,-0.4846366275,GGA,R3m,AB_hR60_160_10a_10a:S-Zn,20.0,AB_hR60_160_10a_10a:S-Zn +mp-556468,ZnS,-3.7496379419,-1.0515412034,0.011590211,-0.5245141044,GGA,R3m,AB_hR48_160_8a_8a:S-Zn,16.0,AB_hR48_160_8a_8a:S-Zn +mp-556576,ZnS,-3.7480428956,-1.0499461572,0.0131852572,-0.5229190581000001,GGA,R3m,AB_hR48_160_8a_8a:S-Zn,16.0,AB_hR48_160_8a_8a:S-Zn +mp-1196782,ZnS,-3.7493121267,-1.0512153882,0.0119160262,-0.5241882892,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1198139,ZnS,-3.7490013711,-1.0509046327,0.0122267817,-0.5238775336,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1199343,ZnS,-3.7489927644,-1.050896026,0.0122353884,-0.5238689269,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1200568,ZnS,-3.7485939853,-1.0504972468,0.0126341676,-0.5234701478,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1200836,ZnS,-3.7489991181,-1.0509023796,0.0122290348,-0.5238752806,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1201158,ZnS,-3.7486832208,-1.0505864824,0.012544932,-0.5235593833000001,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1201781,ZnS,-3.7493126383,-1.0512158999,0.0119155145,-0.5241888008,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1202023,ZnS,-3.7489846256,-1.0508878871,0.0122435273,-0.5238607881,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1202182,ZnS,-3.7490045019,-1.0509077635,0.0122236509,-0.5238806644,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1202959,ZnS,-3.7490011472,-1.0509044088,0.0122270056,-0.5238773097,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,36.0,AB_hR108_160_18a_18a:S-Zn +mp-1203761,ZnS,-3.7091754919,-1.0110787535,0.0520526609,-0.4840516544,GGA,R3m,AB_hR108_160_18a_18a:S-Zn,,AB_hR108_160_18a_18a:S-Zn +mp-10281,ZnS,-3.75941367,-1.0613169316,0.0018144829,-0.5342898325000001,GGA,P6_3mc,AB_hP8_186_ab_ab:S-Zn,8.0,AB_hP8_186_ab_ab:S-Zn +mp-560588,ZnS,-3.75795434,-1.0598576016,0.0032738129,-0.5328305025,GGA,P6_3mc,AB_hP4_186_b_b:S-Zn,4.0,AB_hP4_186_b_b:S-Zn +mp-9946,ZnS,-3.7595937208,-1.0614969824,0.001634432,-0.5344698833,GGA,P6_3mc,AB_hP12_186_a2b_a2b:S-Zn,12.0,AB_hP12_186_a2b_a2b:S-Zn +mp-561258,ZnS,-3.7602888395,-1.0621921011,0.0009393134,-0.5351650020000001,GGA,P6_3mc,AB_hP20_186_2a3b_2a3b:S-Zn,20.0,AB_hP20_186_4a5b_4a5b:S-Zn +mp-561286,ZnS,-3.7605550025,-1.0624582641,0.0006731504,-0.535431165,GGA,P6_3mc,AB_hP40_186_3a7b_3a7b:S-Zn,40.0,AB_hP40_186_5a14b_6a13b:S-Zn +mp-561196,ZnS,-3.7604204218,-1.0623236833,0.0008077311,-0.5352965843,GGA,P6_3mc,AB_hP28_186_2a5b_2a5b:S-Zn,28.0,"Invalid WP multiplicities - AB_hP28_186_4a10b_4a8b:S-Zn, expected Zn6S7 to be ZnS" +mp-560725,ZnS,-3.7605160547,-1.0624193163,0.0007120982,-0.5353922172,GGA,P6_3mc,AB_hP32_186_3a5b_3a5b:S-Zn,32.0,"Invalid WP multiplicities - AB_hP32_186_5a10b_6a10b:S-Zn, expected Zn16S15 to be ZnS" +mp-561118,ZnS,-3.7600836762,-1.0619869378,0.0011444766,-0.5349598388,GGA,P6_3mc,AB_hP16_186_a3b_a3b:S-Zn,16.0,"Invalid WP multiplicities - AB_hP16_186_2a5b_2a6b:S-Zn, expected Zn8S7 to be ZnS" +mp-10695,ZnS,-3.760990785,-1.0628940466,0.0002373679,-0.5358669475,GGA,F-43m,AB_cF8_216_a_c:S-Zn,2.0,AB_cF8_216_a_c:S-Zn +mp-865273,TmUTc2,-9.153254355,-0.0311235242,0.1549708638,0.1549708638,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Tc-Tm-U,4.0,A2BC_cF16_225_c_a_b:Tc-Tm-U +mp-567844,Gd2Fe2I,-9.925405167,-0.612274517,0.0,-0.4533721813,GGA,P6_3/mmc,A2B2C_hP10_194_f_e_c:Fe-Gd-I,10.0,A2B2C_hP10_194_f_e_c:Fe-Gd-I +mp-20854,NiPbF6,-4.9037434688,-2.2835362744,0.0,-0.0393597413,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Ni-Pb,8.0,A6BC_hR24_148_f_a_b:F-Ni-Pb +mp-1070264,La2Ni2I,-5.398230094,-0.81709931,0.0,-0.0694024783,GGA,P-6m2,AB2C2_hP5_187_b_i_ac:I-La-Ni,5.0,AB2C2_hP5_187_b_i_ac:I-La-Ni +mp-1206895,La2Ni2I,-5.3978643680000005,-0.8167335840000001,0.000365726,-0.0690367523,GGA,P6_3/mmc,AB2C2_hP10_194_c_e_f:I-La-Ni,10.0,AB2C2_hP10_194_c_e_f:I-La-Ni +mp-866288,BeVCo2,-7.052943285,-0.2929546537,0.0,-0.0478411929,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Co-V,4.0,AB2C_cF16_225_a_c_b:Be-Co-V +mp-1101371,SmLuO3,-8.7701539355,-3.9542333777,0.0395454042,0.0395454042,GGA,Pnma,AB3C_oP20_62_a_cd_c:Lu-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Lu-O-Sm, expected SmLuO7 to be SmLuO3" +mp-675832,SrCeN2,-7.4060129188,-1.3321198042,0.0397916438,-0.1405630625,GGA,C2,AB2C_mC16_5_c_2c_c:Ce-N-Sr,8.0,"Invalid WP multiplicities - AB2C_mC16_5_c_3c_c:Ce-N-Sr, expected SrCeN3 to be SrCeN2" +mp-937703,SrCeN2,-7.4056434513,-1.3317503367,0.0401611112,-0.140193595,GGA,C2/m,AB2C_mC16_12_i_2i_i:Ce-N-Sr,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_3i_i:Ce-N-Sr, expected SrCeN3 to be SrCeN2" +mp-1218320,SrCeN2,-7.2117045575,-1.1378114429,0.234100005,0.0537452987,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ce-N-Sr,4.0,AB2C_tP4_123_a_bc_d:Ce-N-Sr +mp-1173041,SrCeN2,-7.405640095,-1.3317469804,0.0401644675,-0.1401902388,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ce-N-Sr,8.0,AB2C_tI16_141_a_e_b:Ce-N-Sr +mp-11178,SrCeN2,-7.4458045625,-1.3719114479,0.0,-0.1803547063,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-N-Sr,4.0,AB2C_hR12_166_a_c_b:Ce-N-Sr +mp-1093978,Y2CdIr,-3.77705981,1.8965067317,2.5137672719,2.5137672719,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ir-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Ir-Y +mp-1207802,Y4CdIr,-6.4564065892,-0.5185385236,0.0,-0.0207450729,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cd-Ir-Y,24.0,ABC4_cF96_216_e_e_efg:Cd-Ir-Y +mp-12922,NdPIr,-7.4870891633,-1.1471277903,0.0,-0.0994522125,GGA,I4_1md,ABC_tI12_109_a_a_a:Ir-Nd-P,6.0,ABC_tI12_109_a_a_a:Ir-Nd-P +mp-12481,LaPPt,-6.8635411533,-1.3900601761,0.0,-0.1957356407,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:La-P-Pt,6.0,ABC_hP6_194_a_c_d:La-P-Pt +mp-1205688,Pr(PPt)2,-6.522055149,-0.9720996673,0.0,-0.034516293,GGA,I4/mmm,A2BC2_tI20_139_de_e_ce:P-Pr-Pt,10.0,A2BC2_tI20_139_de_e_ce:P-Pr-Pt +mp-1224115,Ho2P7Rh12,-7.3713008629,-0.9222708759,0.0,-0.0536180435,GGA,P-3,A2B7C12_hP21_147_d_ag_2g:Ho-P-Rh,21.0,A2B7C12_hP21_147_d_ag_2g:Ho-P-Rh +mp-1222763,LaSmB12,-6.9217387186,-0.5069319693000001,0.0016800114,0.0016800114,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-La-Sm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-La-Sm, expected LaSmB32 to be LaSmB12" +mp-1222703,LaSmB12,-6.9214887236,-0.5066819743000001,0.0019300064,0.0019300064,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-La-Sm,14.0,A12BC_cF56_225_g_a_b:B-La-Sm +mp-1223255,La(SmB8)3,-6.8869195907,-0.4798778761,0.0019278764,0.0019278764,GGA,Cmmm,A24BC3_oC56_65_2hp2r_a_bj:B-La-Sm,28.0,"Invalid WP multiplicities - A24BC3_oC56_65_4h4p16r_a_b2j:B-La-Sm, expected LaSm5B152 to be La(SmB8)3" +mp-1179144,SeO4,-5.034849446,-0.3783161815,0.3377638204,0.3377638204,GGA,P2_12_12_1,A4B_oP20_19_4a_a:O-Se,20.0,A4B_oP20_19_4a_a:O-Se +mp-27358,Se2O5,-5.5551523614,-1.0229714312,0.0,-0.0279910223,GGA,P2_1/c,A5B2_mP28_14_5e_2e:O-Se,28.0,A5B2_mP28_14_5e_2e:O-Se +mp-555672,Pu(SeO3)2,-7.6557060933,-1.9957290319,0.0,-0.0088634122,GGA,P2_1/c,A6BC2_mP36_14_6e_e_2e:O-Pu-Se,36.0,"Invalid WP multiplicities - A6BC2_mP36_14_19e_e_7e:O-Pu-Se, expected PuSe7O19 to be Pu(SeO3)2" +mp-559545,SeO2,-5.60520601,-1.1421097099,0.01288206,-0.1873363742,GGA,Pmc2_1,A2B_oP24_26_2a2b2c_2a2b:O-Se,24.0,"Invalid WP multiplicities - A2B_oP24_26_4a4b6c_4a4b:O-Se, expected Se2O5 to be SeO2" +mp-560882,SeO2,-5.607900175,-1.1448038749,0.010187895,-0.1900305392,GGA,Pmc2_1,A2B_oP12_26_abc_ab:O-Se,12.0,"Invalid WP multiplicities - A2B_oP12_26_2ab3c_2a2b:O-Se, expected Se4O9 to be SeO2" +mp-638005,SeO2,-5.6165262108,-1.1534299108,0.0015618592,-0.198656575,GGA,Pbam,A2B_oP24_55_ghi_gh:O-Se,24.0,"Invalid WP multiplicities - A2B_oP24_55_3g4h4i_2g2h:O-Se, expected Se4O15 to be SeO2" +mp-726,SeO2,-5.61808807,-1.1549917699,0.0,-0.2002184342,GGA,P4_2/mbc,A2B_tP24_135_gh_h:O-Se,24.0,A2B_tP24_135_gh_h:O-Se +mp-734430,SeO3,-5.3124066775,-0.7284122746,0.1666877277,0.1666877277,GGA,P2_12_12_1,A3B_oP16_19_3a_a:O-Se,16.0,A3B_oP16_19_3a_a:O-Se +mp-27519,SeO3,-5.4589662909,-0.8749718881,0.0201281142,0.0201281142,GGA,P-42_1c,A3B_tP32_114_3e_e:O-Se,32.0,A3B_tP32_114_3e_e:O-Se +mp-1209326,SeO5,-4.7999988531,-0.0951063475,0.5016269874,0.5016269874,GGA,Pbca,A5B_oP48_61_5c_c:O-Se,48.0,A5B_oP48_61_5c_c:O-Se +mp-1215499,YbTmB12,-6.5710583343,-0.4161908376,0.0272211017,0.0272211017,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Tm-Yb,,A12BC_cF56_225_g_a_b:B-Tm-Yb +mp-631527,In2GeB,-3.2836001425,0.917846629,0.917846629,0.917846629,GGA,Fm-3m,ABC2_cF16_225_a_b_c:B-Ge-In,4.0,ABC2_cF16_225_a_b_c:B-Ge-In +mp-1208218,U6Nb4Al43,-5.2842496794,-0.2047507943,0.0,-0.0076311407,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-U,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-U +mp-1208408,U6Al39Mo8,-5.8925998808,-0.2210693466,0.0613503745,0.0613503745,GGA,P6_3/mcm,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Mo-U,106.0,A39B8C6_hP106_193_gij2kl_bgh_k:Al-Mo-U +mp-1202283,U6Al43Mo4,-5.3342283298,-0.1985524583,0.0,-0.0025623269,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-U,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Mo-U +mp-1215160,Al4Re12B,-5.8539620618,4.2046274271,4.4380607456,4.4380607456,GGA,Fd-3m,A4BC12_cF136_227_e_a_g:Al-B-Re,34.0,A4BC12_cF136_227_e_a_g:Al-B-Re +mp-18503,Al2Re3B,-8.3374620275,0.2465588035,0.5771358667,0.5771358667,GGA,Fd-3m,A2BC3_cF96_227_e_c_f:Al-B-Re,24.0,A2BC3_cF96_227_e_c_f:Al-B-Re +mp-1228829,AlV6Ge,-8.0948903825,-0.2358853694,0.0,-0.0012510856,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Ge-V,8.0,ABC6_cP8_200_a_b_f:Al-Ge-V +mp-1229060,Al(V4Ge)3,-8.197515805,-0.2836700403,0.0017849706,0.0017849706,GGA,Pmmm,AB3C12_oP16_47_a_bl_2knpw:Al-Ge-V,16.0,"Invalid WP multiplicities - AB3C12_oP16_47_a_bl_4k2n2p2w:Al-Ge-V, expected Al(V8Ge)3 to be Al(V4Ge)3" +mp-1219546,ReSeS,-7.4880361217,-0.7957399452,0.0133643829,0.0133643829,GGA,P-1,ABC_aP12_2_2i_2i_2i:Re-S-Se,12.0,ABC_aP12_2_2i_2i_2i:Re-S-Se +mp-1190059,EuHfS3,-8.6395778415,-2.1148697554,0.0,-0.0044737315,GGA,Pnma,ABC3_oP20_62_c_a_cd:Eu-Hf-S,20.0,ABC3_oP20_62_c_a_cd:Eu-Hf-S +mp-1104922,Sb(Mo3S4)2,-7.689935614699999,-0.8703022257,0.10639993,0.10639993,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Sb,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Sb +mp-1212593,Sb(MoS2)6,-4.9930572621,1.2616953854,2.4000111211,2.4000111211,GGA,P-1,A6B12C_aP19_2_3i_6i_a:Mo-S-Sb,19.0,A6B12C_aP19_2_3i_6i_a:Mo-S-Sb +mp-11609,Sb(MoS)2,-7.585946808,-0.7673065693000001,0.0,-0.0040843646,GGA,P2_1/m,A2B2C_mP10_11_2e_2e_e:Mo-S-Sb,10.0,"Invalid WP multiplicities - A2B2C_mP10_11_4e_4e_e:Mo-S-Sb, expected Sb(MoS)4 to be Sb(MoS)2" +mp-30285,Sb2MoS,-6.3548044191,-0.5447788048000001,0.0,-0.0325241724,GGA,C2/m,ABC2_mC64_12_2ij_2ij_4i2j:Mo-S-Sb,32.0,ABC2_mC64_12_2ij_2ij_4i2j:Mo-S-Sb +mp-1225261,EuCd3S4,-4.8563387225,-1.1599049041,0.1048390856,0.1048390856,GGA,R3m,A3BC4_hR24_160_3a_a_4a:Cd-Eu-S,8.0,A3BC4_hR24_160_3a_a_4a:Cd-Eu-S +mp-1186401,PaSiO3,-8.354445896,-2.3984361312,1.001981955,1.001981955,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pa-Si,5.0,A3BC_cP5_221_c_a_b:O-Pa-Si +mp-1080829,Ti6Ge2B,-7.65538875,-0.622233241,0.0,-0.0250031385,GGA,P-62m,AB2C6_hP9_189_a_d_fg:B-Ge-Ti,9.0,AB2C6_hP9_189_a_d_fg:B-Ge-Ti +mp-1145,TiB2,-8.14042698,-1.0556684606,0.0,-0.3301153565,GGA,P6/mmm,A2B_hP3_191_c_b:B-Ti,3.0,A2B_hP3_191_c_b:B-Ti +mp-7857,TiB,-8.1194965862,-0.8320546925000001,0.0,-0.0158074504,GGA,Pnma,AB_oP8_62_c_c:B-Ti,8.0,AB_oP8_62_c_c:B-Ti +mp-10143,TiB,-6.566714285,0.7207276087000001,1.5527823012000002,1.5369748508,GGA,F-43m,AB_cF8_216_a_c:B-Ti,2.0,AB_cF8_216_a_c:B-Ti +mp-1025170,Ti3B4,-8.1334315814,-0.932853991,0.0,-0.0049648264,GGA,Immm,A4B3_oI14_71_ef_af:B-Ti,7.0,A4B3_oI14_71_ef_af:B-Ti +mp-1025149,Ti2B,-7.88452742,-0.3944021519,0.1603009764,0.1603009764,GGA,I4/mcm,AB2_tI12_140_a_h:B-Ti,6.0,AB2_tI12_140_a_h:B-Ti +mp-1071504,Ti2B,-7.3294754083,0.1606498597,0.7153529881,0.7153529881,GGA,I4/mcm,AB2_tI12_140_c_h:B-Ti,6.0,AB2_tI12_140_c_h:B-Ti +mp-1245924,TiB12,-6.8665174462,-0.0935795026,0.150036296,0.150036296,GGA,Fm-3m,A12B_cF52_225_h_b:B-Ti,13.0,A12B_cF52_225_h_b:B-Ti +mp-10699,LuRh3C,-7.720696492,-0.5521885675,0.0,-0.0818108495,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Lu-Rh,5.0,ABC3_cP5_221_b_a_c:C-Lu-Rh +mp-867215,Sc3OsC4,-8.8301339181,-0.4377043288,0.0,-0.0691374221,GGA,C2/m,A4BC3_mC32_12_2j_i_ac2i:C-Os-Sc,16.0,"Invalid WP multiplicities - A4BC3_mC32_12_3j_i_ad3i:C-Os-Sc, expected Sc4OsC6 to be Sc3OsC4" +mp-1095043,Sc3OsC4,-8.8264717225,-0.4340421331,0.0036621956,-0.0654752265,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Os-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Os-Sc +mp-1245612,Mn7SiN6,-8.7505350898,-0.2092211881,0.3686676664,0.3686676664,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Mn-N-Si,56.0,A7B6C_oP56_60_c3d_3d_c:Mn-N-Si +mp-3606,MnSiN2,-8.6233464825,-0.8082656895,0.1304751431,0.1304751431,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Si,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Si +mp-1246222,Mn3Si6N11,-8.28402301,-0.6970530984000001,0.356114515,0.356114515,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Mn-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Mn-N-Si +mp-1245396,Mn3SiN4,-8.8007873456,-0.5186193948,0.1898387647,0.1898387647,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Mn-N-Si,16.0,A3B4C_oP16_31_ab_2ab_a:Mn-N-Si +mp-1246181,Mn2Si5N8,-8.4238129112,-0.9476409023,0.1594975201,0.1594975201,GGA,Pbca,A2B8C5_oP120_61_2c_8c_5c:Mn-N-Si,120.0,A2B8C5_oP120_61_2c_8c_5c:Mn-N-Si +mp-1247373,Mn2Si4N7,-8.3538919904,-0.7861406689,0.2760488679,0.2760488679,GGA,Cmc2_1,A2B7C4_oC52_36_2a_3a2b_2ab:Mn-N-Si,26.0,"Invalid WP multiplicities - A2B7C4_oC52_36_2a_5a5b_3a3b:Mn-N-Si, expected Mn2(Si3N5)3 to be Mn2Si4N7" +mp-1247490,Mn3(SiN3)2,-8.5052266777,-0.4728947244,0.3392706727,0.3392706727,GGA,Pnnm,A3B6C2_oP66_58_abcgh_f2g3h_gh:Mn-N-Si,66.0,A3B6C2_oP66_58_abcgh_f2g3h_gh:Mn-N-Si +mp-1246278,MnSi7N10,-8.3183359056,-1.068103086,0.1513003962,0.1513003962,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Mn-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Mn-N-Si +mp-1245771,Mn5(SiN3)3,-8.3941799632,-0.3286220294,0.48778412,0.48778412,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:Mn-N-Si,68.0,A5B9C3_oC136_64_d2fg_3f3g_e2f:Mn-N-Si +mp-3155,Sc3FeC4,-8.4819451938,-0.4341838819,0.0,-0.0767956181,GGA,Immm,A4BC3_oI16_71_m_a_bf:C-Fe-Sc,8.0,A4BC3_oI16_71_m_a_bf:C-Fe-Sc +mp-1080113,ScFeC2,-8.571494805,-0.25653948,0.0329164412,0.0329164412,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Fe-Sc,8.0,A2BC_tP8_129_2c_a_c:C-Fe-Sc +mp-979966,Yb2Cr2C3,-7.3136932471,-0.1606492504,0.0,-0.0584097674,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Yb,,A3B2C2_mC14_12_ai_i_i:C-Cr-Yb +mp-570470,CeSmI4,-4.206841535,-1.4493180867,0.079637465,0.079637465,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ce-I-Sm,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Ce-I-Sm, expected CeSmI10 to be CeSmI4" +mp-1095818,YScPd2,-4.207144275,1.5825316846000002,2.4916200937,2.4916200937,GGA,Immm,A2BC_oI8_71_e_a_b:Pd-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Pd-Sc-Y +mp-1206111,Y2AgSb3,-2.5077396317,2.1843440267,3.0808017125,3.0808017125,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-Sb-Y,6.0,AB3C2_tP6_123_a_bg_g:Ag-Sb-Y +mp-1078739,YAgSb2,-5.1063687063,-0.7171113071,0.0,-0.0816354371,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ag-Sb-Y,8.0,AB2C_tP8_129_a_bc_c:Ag-Sb-Y +mp-1093806,ScVOs2,-5.9557600525000005,3.5120174563,3.8832954634,3.8832954634,GGA,Immm,A2BC_oI8_71_e_a_b:Os-Sc-V,4.0,A2BC_oI8_71_e_a_b:Os-Sc-V +mp-1246269,Bi3Pb3N5,-5.4197867436,0.4294753677,0.4294753677,0.4294753677,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Pb +mp-14926,Sr2ScF7,-6.561320382,-4.2521395036000005,0.006768155,0.006768155,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Sc-Sr,40.0,A7BC2_mP40_14_7e_e_2e:F-Sc-Sr +mp-634805,ScF3,-6.440426535,-3.4237000331000003,0.8747314375,-3.4237000331000003,GGA,C2,A3B_mC8_5_ac_b:F-Sc,4.0,A3B_mC8_5_ac_b:F-Sc +mp-1179500,ScF3,-7.07328713,-4.0565606281,0.2418708425,-4.0565606281,GGA,C2,A3B_mC8_5_ac_b:F-Sc,4.0,A3B_mC8_5_ac_b:F-Sc +mp-10694,ScF3,-7.3151579725,-4.2984314706,0.0,-4.2984314706,GGA,Pm-3m,A3B_cP4_221_c_b:F-Sc,4.0,A3B_cP4_221_c_b:F-Sc +mp-695817,ScF3,-6.4512595775,-3.4345330756,0.8638983950000001,-3.4345330756,GGA,C222,A3B_oC8_21_ak_c:F-Sc,4.0,A3B_oC8_21_ak_c:F-Sc +mp-1094067,ScF3,-7.2066787637,-4.1899522619,0.1084792087,-4.1899522619,GGA,Pnma,A3B_oP16_62_cd_c:F-Sc,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:F-Sc, expected ScF5 to be ScF3" +mp-559092,ScF3,-7.3132021425,-4.2964756406,0.00195583,-4.2964756406,GGA,R32,A3B_hR12_155_d_b:F-Sc,4.0,A3B_hR12_155_d_b:F-Sc +mp-1078300,ScF3,-7.3146933062,-4.2979668044,0.0004646662,-4.2979668044,GGA,R-3c,A3B_hR24_167_e_b:F-Sc,8.0,A3B_hR24_167_e_b:F-Sc +mp-979931,YNbRu2,-9.0458614,-0.2667160917,0.0087130505,0.0087130505,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Y,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Y +mp-29613,CsEu2I5,-5.4763445053,-1.8793147901,0.0001099491,0.0001099491,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Cs-Eu-I,32.0,AB2C5_mP32_14_e_2e_5e:Cs-Eu-I +mp-1183889,Ce3Gd,-7.8801245775,0.0887228487,0.0887228487,0.0887228487,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-Gd,4.0,A3B_cP4_221_c_a:Ce-Gd +mp-1226544,CeGdN2,-10.877926755,-1.7073764438,0.011552245,0.011552245,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ce-Gd-N,4.0,ABC2_tP4_123_a_d_bc:Ce-Gd-N +mp-1185539,CeGd3,-11.96171242,0.0786515487,0.0786515487,0.0786515487,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Gd,4.0,AB3_cP4_221_a_c:Ce-Gd +mp-1093576,Y2CdIn,-2.14360223,2.0082766992,2.43244193,2.43244193,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-In-Y,4.0,ABC2_oI8_71_a_b_e:Cd-In-Y +mp-1096339,Y2AgPd,-3.4792981325,1.7570468775,2.3771766537,2.3771766537,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Pd-Y +mp-1096233,YAgPd2,-3.5532135925,1.3614840917,2.0321032089,2.0321032089,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Ag-Pd-Y +mp-631406,ScTl2W,-5.4219080575,0.5820633496000001,0.6515173453,0.6515173453,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Sc-Tl-W,4.0,AB2C_cF16_225_a_c_b:Sc-Tl-W +mp-27487,Li2ThN2,-6.788679374,-1.2077406073,0.0,-0.1170164093,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Th,5.0,A2B2C_hP5_164_d_d_a:Li-N-Th +mp-973891,LaV,-6.460355575,0.5496010125,0.5496010125,0.5496010125,GGA,Pm-3m,AB_cP2_221_a_b:La-V,2.0,AB_cP2_221_a_b:La-V +mp-1223090,La2VCo16,-7.0350830074,-0.0514511653,0.020473611,0.020473611,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Co-La-V,19.0,A16B2C_hR57_160_a3bc_2a_a:Co-La-V +mp-22712,YPd2Pb,-5.83511044,-0.7003899892000001,0.0058514113,0.0058514113,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Pd-Y,4.0,AB2C_cF16_225_a_c_b:Pb-Pd-Y +mp-21508,Y2Pd2Pb,-6.241303049,-0.8402324657,0.0,-0.03556421,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Pb-Pd-Y,10.0,AB2C2_tP10_127_a_g_h:Pb-Pd-Y +mp-1096202,Y2PdPb,-3.74943523,1.7069325467,2.453420876,2.453420876,GGA,Immm,ABC2_oI8_71_a_b_e:Pb-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Pb-Pd-Y +mp-600293,YPdPb,-5.6961856567,-0.5765189922,0.1576573933,0.1236747292,GGA,P-62m,ABC_hP9_189_f_ad_g:Pb-Pd-Y,9.0,ABC_hP9_189_f_ad_g:Pb-Pd-Y +mp-1205369,YPdPb,-5.85384305,-0.7341763856,0.0,-0.0339826642,GGA,P-62m,ABC_hP9_189_f_bc_g:Pb-Pd-Y,9.0,ABC_hP9_189_f_bc_g:Pb-Pd-Y +mp-1225969,Gd2P7Rh12,-7.77228617,-0.4190930049,0.4454024942,0.4454024942,GGA,P-3,A2B7C12_hP21_147_d_ag_2g:Gd-P-Rh,21.0,A2B7C12_hP21_147_d_ag_2g:Gd-P-Rh +mp-1097212,YCdRh2,-3.728604705,1.8008894483,2.3496083663,2.3496083663,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Rh-Y,4.0,AB2C_oI8_71_a_e_b:Cd-Rh-Y +mp-1187836,YCdRh2,-6.0697366625,-0.5402425092,0.0084764087,0.0084764087,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Cd-Rh-Y +mp-1199584,Co2Re5P12,-7.8721911829,-0.4301437305,0.0,-0.0002635083,GGA,Pnnm,A2B12C5_oP38_58_g_6g_a2g:Co-P-Re,38.0,A2B12C5_oP38_58_g_6g_a2g:Co-P-Re +mp-5475,NaTaN2,-8.54555104,-1.0822278466,0.0,-0.171631828,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Na-Ta,4.0,A2BC_hR12_166_c_a_b:N-Na-Ta +mp-29156,NaTa3N5,-9.8900048994,-1.1590790318,0.0380106026,0.0380106026,GGA,Cmcm,A5BC3_oC36_63_c2f_c_cf:N-Na-Ta,18.0,"Invalid WP multiplicities - A5BC3_oC36_63_2c6f_c_2c3f:N-Na-Ta, expected Na(Ta4N7)2 to be NaTa3N5" +mp-1080032,NaN,-4.8997085713,-0.070198462,0.1775220066,0.1775220066,GGA,Fddd,AB_oF32_70_e_f:N-Na,8.0,AB_oF32_70_e_f:N-Na +mp-1179882,NaN,-4.83156653,-0.0020564208,0.2456640478,0.2456640478,GGA,Fddd,AB_oF32_70_e_f:N-Na,8.0,AB_oF32_70_e_f:N-Na +mp-1009221,NaN,-3.73057856,1.0989315492,1.3466520178,1.3466520178,GGA,Fm-3m,AB_cF8_225_a_b:N-Na,2.0,AB_cF8_225_a_b:N-Na +mp-634410,NaN3,-6.6850180125000005,-0.1020154954,0.2695652075,-0.0669162644,GGA,C2,A3B_mC8_5_ac_b:N-Na,4.0,A3B_mC8_5_ac_b:N-Na +mp-1064952,NaN3,-6.95394392,-0.3709414029,0.0006393,-0.3358421719,GGA,Cm,A3B_mC8_8_3a_a:N-Na,4.0,A3B_aP4_2_bi_e:N-Na +mp-22777,NaN3,-5.741583515,0.8414190021,1.212999705,0.8765182331,GGA,C2/m,A3B_mC8_12_ai_c:N-Na,4.0,"Invalid WP multiplicities - A3B_mC8_12_a2i_c:N-Na, expected NaN5 to be NaN3" +mp-570538,NaN3,-6.9544465075,-0.3714439904,0.0001367125,-0.3363447594,GGA,C2/m,A3B_mC8_12_ai_d:N-Na,4.0,A3B_mC8_12_ai_c:N-Na +mp-1064272,NaN3,-5.9886301525,0.5943723646,0.9659530675,0.6294715956,GGA,C2/m,A3B_mC8_12_ai_c:N-Na,4.0,A3B_mC8_12_ai_d:N-Na +mp-1064715,NaN3,-5.208817965,1.3741845521,1.745765255,1.4092837831,GGA,C2/m,A3B_mC8_12_ai_c:N-Na,4.0,A3B_mC8_12_ai_d:N-Na +mp-1065265,NaN3,-5.9383597025,0.6446428146000001,1.0162235175,0.6797420456000001,GGA,C2/m,A3B_mC8_12_ai_c:N-Na,4.0,A3B_mC8_12_ai_d:N-Na +mp-1066400,NaN3,-6.9516582725,-0.3686557554,0.0029249475,-0.3335565244,GGA,R3m,A3B_hR12_160_3a_a:N-Na,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:N-Na, expected NaN5 to be NaN3" +mp-22003,NaN3,-6.95458322,-0.3715807029,0.0,-0.3364814719,GGA,R-3m,A3B_hR12_166_ac_b:N-Na,4.0,"Invalid WP multiplicities - A3B_hR12_166_a2c_b:N-Na, expected NaN5 to be NaN3" +mp-1064161,NaN3,-4.1040036975,2.4789988196,2.8505795225,2.5140980506,GGA,Pm-3m,A3B_cP4_221_c_a:N-Na,4.0,A3B_cP4_221_c_a:N-Na +mp-1189035,Na3N,-2.8707313625,0.2052863388,0.3291465731,0.3291465731,GGA,Pnma,AB3_oP16_62_c_cd:N-Na,16.0,AB3_oP16_62_c_cd:N-Na +mp-1190632,Na3N,-2.8479210512,0.2280966501,0.3519568844,0.3519568844,GGA,P6_3cm,AB3_hP24_185_c_ab2c:N-Na,24.0,AB3_hP24_185_c_ab2c:N-Na +mp-999496,Na3N,-2.8921943,0.1838234013,0.3076836356,0.3076836356,GGA,P6/mmm,AB3_hP4_191_a_bc:N-Na,4.0,AB3_hP4_191_a_bc:N-Na +mp-2639,Na3N,-2.92888634,0.1471313613,0.2709915956,0.2709915956,GGA,Pm-3m,AB3_cP4_221_a_d:N-Na,4.0,AB3_cP4_221_a_d:N-Na +mp-999495,Na3N,-2.69239441,0.3836232913,0.5074835256,0.5074835256,GGA,Fm-3m,AB3_cF16_225_a_bc:N-Na,4.0,AB3_cF16_225_a_bc:N-Na +mp-1247081,Na3TaN2,-5.6557342592,-0.2393436991,0.482141532,0.482141532,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Ta,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Ta +mp-1190895,DyMnB4,-7.4035691108,-0.6558409083,0.0,-0.0835002473,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Mn,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Mn +mp-14356,Dy3MnB7,-6.9446854832,-0.6048565552,0.0,-0.0174877864,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Dy-Mn,22.0,"Invalid WP multiplicities - A7B3C_oC44_63_c4f_cf_c:B-Dy-Mn, expected Dy3MnB9 to be Dy3MnB7" +mp-1207814,Y3(Al3Os)4,-6.3458567887,-0.5955518929,0.0,-0.0602297729,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Y,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Os-Y +mp-16066,Yb(Ni2P)2,-5.8466340929000005,-0.7770969481000001,0.0,-0.0235725148,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-Yb,,A4B2C_tP14_136_i_f_a:Ni-P-Yb +mp-1207845,Yb9(Ni13P6)2,-5.6228342277,-0.7483734132000001,0.0055634943,0.0055634943,GGA,P-6m2,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Yb,,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Yb +mp-570412,Yb(NiP)2,-5.752243902,-0.9669465713,0.0,-0.1732200866,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Yb,,A2B2C_tI10_139_d_e_a:Ni-P-Yb +mp-542003,Yb2Ni12P7,-5.9978754738,-0.7438766992,0.0,-0.0199362971,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Yb,,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Yb +mp-1207641,Yb6Ni20P13,-5.8556479782,-0.8501783406000001,0.0,-0.0028554226,GGA,P-6,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Yb,,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Yb +mp-1201580,Yb5Ni19P12,-5.9058615494,-0.836965205,0.0,-0.0139159291,GGA,C2/m,A19B12C5_mC72_12_a9i_6i_d2i:Ni-P-Yb,,A19B12C5_mC72_12_a9i_6i_c2i:Ni-P-Yb +mp-1207542,YbNi5P3,-5.9469712283,-0.7602824283,0.0174446366,0.0174446366,GGA,Cmcm,A5B3C_oC36_63_a2f_cf_c:Ni-P-Yb,,A5B3C_oC36_63_a2f_cf_c:Ni-P-Yb +mp-29289,BaPt2S3,-5.6392846729,-1.2275194761,0.0029171896,-0.0117497929,GGA,P4_12_12,AB2C3_tP24_92_a_b_ab:Ba-Pt-S,24.0,"Invalid WP multiplicities - AB2C3_tP24_92_a_b_a2b:Ba-Pt-S, expected BaPt2S5 to be BaPt2S3" +mp-558588,BaPt2S3,-5.6422018625,-1.2304366657,0.0,-0.0146669825,GGA,P4_12_12,AB2C3_tP72_92_ab_2a2b_a4b:Ba-Pt-S,72.0,"Invalid WP multiplicities - AB2C3_tP72_92_2a2b_8a12b_4a27b:Ba-Pt-S, expected Ba3Pt16S29 to be BaPt2S3" +mp-1102850,SbPtS,-5.4048675233,-0.6260060477,0.0,-0.0441847196,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-S-Sb,12.0,ABC_cP12_198_a_a_a:Pt-S-Sb +mp-1226795,CdPbS2,-3.92981227,-0.7027031291,0.1314789112,0.1314789112,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Pb-S,4.0,ABC2_tP4_123_a_d_bc:Cd-Pb-S +mp-1226761,CdPbS2,-3.9823332825,-0.7552241416000001,0.0789578987,0.0789578987,GGA,R-3m,ABC2_hR12_166_a_b_c:Cd-Pb-S,4.0,ABC2_hR12_166_a_b_c:Cd-Pb-S +mp-1194332,Yb(BiS2)2,-4.8330553307,-1.1521430439,0.035850555,0.035850555,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Bi-S-Yb,,A2B4C_oP28_62_2c_4c_c:Bi-S-Yb +mp-1093538,MnV2Re,-6.1443782,3.7992104543,4.07343318,4.07343318,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Re-V,4.0,ABC2_oI8_71_a_b_e:Mn-Re-V +mp-981377,V2ReTc,-10.6038073525,-0.360562785,0.0,-0.04217886,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Re-Tc-V,4.0,ABC2_cF16_225_a_b_c:Re-Tc-V +mp-675681,Ba4Er3F17,-6.5847796454,-4.3400213689000005,0.0002713221,0.0002713221,GGA,P1,A4B3C17_aP48_1_8a_6a_34a:Ba-Er-F,48.0,A4B3C17_aP48_1_8a_6a_34a:Ba-Er-F +mp-12803,BaEr2F8,-6.8155460709,-4.4204329527,0.0,-0.0205794382,GGA,C2/m,AB2C8_mC22_12_a_h_gij:Ba-Er-F,11.0,"Invalid WP multiplicities - AB2C8_mC22_12_a_h_g2ij:Ba-Er-F, expected BaEr2F10 to be BaEr2F8" +mp-1208175,Tl2CoI4,-3.1914514457,-0.6590129474,0.0,-0.023106385,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Co-I-Tl,14.0,AB4C2_mP14_11_e_2ef_2e:Co-I-Tl +mp-1207678,U3Bi4Rh3,-7.5531426765,-0.4202316605,0.0,-0.1499817664,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Rh-U,20.0,A4B3C3_cI40_220_c_a_b:Bi-Rh-U +mp-569059,HfI4,-4.427257389,-1.257126503,0.0,-0.295145983,GGA,C2/c,AB4_mC40_15_f_4f:Hf-I,20.0,"Invalid WP multiplicities - AB4_mC40_15_f_12f:Hf-I, expected HfI12 to be HfI4" +mp-567273,HfI4,-4.3972441655,-1.2271132795,0.0300132235,-0.2651327595,GGA,Pa-3,AB4_cP40_205_c_cd:Hf-I,40.0,"Invalid WP multiplicities - AB4_cP40_205_c_5c6d:Hf-I, expected HfI23 to be HfI4" +mp-568002,HfI3,-4.79679767,-1.20247565,0.0,-0.0239195534,GGA,P6_3/mcm,AB3_hP8_193_b_g:Hf-I,8.0,AB3_hP8_193_b_g:Hf-I +mp-29398,Cs2HfI6,-3.8330173767,-1.5454405018,0.0,-0.0644783161,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Cs-Hf-I,9.0,A2BC6_cF36_225_c_a_e:Cs-Hf-I +mp-1184661,Hf3I,-7.5759694313,0.2602639287,0.6610891454000001,0.6610891454000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hf-I,8.0,A3B_hP8_194_h_c:Hf-I +mp-1096093,LiY2Cd,-1.8087525175,2.1324361958,2.3113484194,2.3113484194,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Li-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Li-Y +mp-1097661,LiYCd2,-1.17279753,1.382495845,1.6858126588,1.6858126588,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Li-Y,4.0,A2BC_oI8_71_e_a_b:Cd-Li-Y +mp-1194108,Zr4Rh2N,-9.2260765054,-1.0466603361,0.0,-0.0190866882,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Rh-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Rh-Zr +mp-4206,UAs2Pd,-7.1038723075,-0.65649015,0.0,-0.058309835,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Pd-U,8.0,A2BC_tP8_129_ac_b_c:As-Pd-U +mp-1223845,K(SiPd)4,-5.37448159,-0.5376817781000001,0.0,-0.0853629914,GGA,I4,AB4C4_tI18_79_a_c_c:K-Pd-Si,9.0,AB4C4_tI18_79_a_c_c:K-Pd-Si +mp-1078683,UInPd,-6.6233448667,-0.21568635,0.1215972195,0.1215972195,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-U,9.0,ABC_hP9_189_f_bc_g:In-Pd-U +mp-646426,U2InPd2,-7.337025269,-0.198171795,0.1485367259,0.1485367259,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-U,10.0,AB2C2_tP10_127_a_g_h:In-Pd-U +mp-1245362,Ge3Mo5N9,-8.3029247935,0.1162392324,0.5400972213,0.5400972213,GGA,Cmce,A3B5C9_oC136_64_e2f_d2fg_3f3g:Ge-Mo-N,68.0,A3B5C9_oC136_64_e2f_d2fg_3f3g:Ge-Mo-N +mp-27731,HfH2,-6.17821213,-0.5973317567,0.0,-0.2828853378,GGA,I4/mmm,A2B_tI6_139_d_a:H-Hf,3.0,A2B_tI6_139_d_a:H-Hf +mp-982982,HfH3,-5.37798607,-0.3441442788,0.1038545388,0.1038545388,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Hf,4.0,A3B_tI8_139_ad_b:H-Hf +mp-1184675,HfH3,-5.3729093463,-0.339067555,0.1089312625,0.1089312625,GGA,P6_3/mmc,A3B_hP8_194_h_c:H-Hf,8.0,A3B_hP8_194_h_c:H-Hf +mp-977573,HfH3,-5.3875940125,-0.3537522213,0.0942465962,0.0942465962,GGA,Pm-3m,A3B_cP4_221_c_a:H-Hf,4.0,A3B_cP4_221_c_a:H-Hf +mp-1069811,Hf2H2Pd,-6.910267232,-0.53432484,0.099557613,0.099557613,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:H-Hf-Pd,5.0,A2B2C_tI10_139_d_e_a:H-Hf-Pd +mp-1095548,TaPRh,-8.9948516517,-0.7830556494,0.0249071663,0.0249071663,GGA,Pnma,ABC_oP12_62_c_c_c:P-Rh-Ta,12.0,ABC_oP12_62_c_c_c:P-Rh-Ta +mp-1215472,YbTmS2,-5.9187850725,-2.3466992132,0.0,-0.0087261225,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Tm-Yb,,A2BC_hR12_166_c_a_b:S-Tm-Yb +mp-1192415,Yb(TmS2)2,-6.2847441221,-2.422304323,0.0,-0.0098520184,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:S-Tm-Yb,,A4B2C_oP28_62_4c_2c_c:S-Tm-Yb +mp-1186165,Np3P,-11.2575983725,-0.1934379849,0.2424082331,0.2424082331,GGA,I4/mmm,A3B_tI8_139_ad_b:Np-P,4.0,A3B_tI8_139_ad_b:Np-P +mp-1209793,Np(FeP3)4,-7.1490029741,-0.5732679976,0.0,-0.0698914176,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Np-P,17.0,A4BC12_cI34_204_c_a_g:Fe-Np-P +mp-864899,NpP3,-7.7381936337,-0.4412718334,0.0,-0.0054256154,GGA,P6_3/mmc,AB3_hP8_194_c_h:Np-P,8.0,AB3_hP8_194_c_h:Np-P +mp-10108,NpP,-10.05223353,-0.871692436,0.0,-0.5543375269,GGA,Fm-3m,AB_cF8_225_a_b:Np-P,2.0,AB_cF8_225_a_b:Np-P +mp-29903,TlTeF5,-4.5695560346,-2.4176497664,0.0,-0.0919815404,GGA,Pnma,A5BC_oP28_62_c2d_c_c:F-Te-Tl,28.0,A5BC_oP28_62_c2d_c_c:F-Te-Tl +mp-675846,Ca5ThF14,-6.370559953,-4.1604317932,0.132604524,0.132604524,GGA,P1,A5B14C_aP20_1_5a_14a_a:Ca-F-Th,20.0,A5B14C_aP20_1_5a_14a_a:Ca-F-Th +mp-676893,Ca4ThF12,-6.4590473676,-4.2017529335,0.1034166582,0.1034166582,GGA,P1,A4B12C_aP17_1_4a_12a_a:Ca-F-Th,17.0,A4B12C_aP17_1_4a_12a_a:Ca-F-Th +mp-1220044,Sm30(P4Ir5)13,-7.7911629062,-1.0051252457,0.0,-0.0797702939,GGA,Pm,A65B52C30_mP147_6_32a33b_26a26b_15a15b:Ir-P-Sm,147.0,A65B52C30_mP147_6_32a33b_26a26b_15a15b:Ir-P-Sm +mp-1095072,Sm(PIr)2,-7.653205653,-1.0087937513,0.0007584651,0.0007584651,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-P-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Ir-P-Sm +mp-972529,SmP3,-5.5464223525000005,-0.3067989388,0.48775628,0.48775628,GGA,I4/mmm,A3B_tI8_139_ad_b:P-Sm,4.0,A3B_tI8_139_ad_b:P-Sm +mp-9849,SmP5,-5.8348428767,-0.5373264319000001,0.0,-0.0152459056,GGA,P2_1/m,A5B_mP12_11_e2f_e:P-Sm,12.0,A5B_mP12_11_e2f_e:P-Sm +mp-710,SmP,-6.6321859,-1.5662415792000002,0.0,-1.24384572,GGA,Fm-3m,AB_cF8_225_a_b:P-Sm,2.0,AB_cF8_225_a_b:P-Sm +mp-5137,Zr2SbP,-7.84034038,-1.1809141283,0.0,-0.0896275375,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:P-Sb-Zr,8.0,ABC2_hP8_194_a_c_f:P-Sb-Zr +mp-1188355,Zr5Sb3P,-7.6891046556,-0.9625702804,0.0,-0.0157064858,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:P-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:P-Sb-Zr +mp-10356,Ho3InC,-3.54337875,1.6021364165,1.956069486,1.956069486,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ho-In,5.0,AB3C_cP5_221_a_c_b:C-Ho-In +mp-1224316,HfAlW4,-10.8027648933,0.1197827367,0.2734633863,0.2734633863,GGA,F-43m,ABC4_cF24_216_a_c_e:Al-Hf-W,6.0,ABC4_cF24_216_a_c_e:Al-Hf-W +mp-10718,Sm3SnC,-4.052777902,1.4260212485,1.8865557955,1.8865557955,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Sm-Sn,5.0,AB3C_cP5_221_a_c_b:C-Sm-Sn +mp-1198170,Nd(BRu)4,-8.0717732222,-0.4514038138,0.0,-0.0450697274,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Nd-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Nd-Ru +mp-7099,NdB2Ru3,-8.0659100317,-0.4075535993,0.0176816933,0.0176816933,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Nd-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Nd-Ru +mp-1079388,Nd(BRu)2,-7.845429562,-0.5102823512,0.0,-0.0846566476,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Nd-Ru,10.0,A2BC2_oF40_70_e_a_f:B-Nd-Ru +mp-1212619,Nd(BRu)2,-6.8899989443,0.4451482666,0.9554306177,0.8707739701,GGA,I4_1/acd,A2BC2_tI80_142_g_c_g:B-Nd-Ru,40.0,A2BC2_tI80_142_g_c_g:B-Nd-Ru +mp-1102531,PRhSe,-6.2051114358,-0.7806041511,0.0,-0.0889197294,GGA,P2_13,ABC_cP12_198_a_a_a:P-Rh-Se,12.0,ABC_cP12_198_a_a_a:P-Rh-Se +mp-1102,LuN,-8.48674477,-2.0580220475,0.0,-1.399498461,GGA,Fm-3m,AB_cF8_225_a_b:Lu-N,2.0,AB_cF8_225_a_b:Lu-N +mp-1017627,Lu3AlN,-6.163608336,-1.034623873,0.0,-0.0480043548,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Lu-N,5.0,AB3C_cP5_221_a_c_b:Al-Lu-N +mp-1200511,Lu2N3,-7.6005054667,-0.7902283037000001,0.8561893343,0.8561893343,GGA,Ia-3,A2B3_cI80_206_ad_e:Lu-N,40.0,A2B3_cI80_206_ad_e:Lu-N +mp-10368,CoPSe,-5.9603831413,-0.6212058815,0.0,-0.0486180429,GGA,Pbca,ABC_oP24_61_c_c_c:Co-P-Se,24.0,ABC_oP24_61_c_c_c:Co-P-Se +mp-1226014,CoPSe,-5.9275363742,-0.5883591144,0.0328467671,-0.0157712758,GGA,P2_13,ABC_cP12_198_a_a_a:Co-P-Se,12.0,ABC_cP12_198_a_a_a:Co-P-Se +mp-1077374,ThSiS,-7.151156165,-1.492614116,0.0,-0.0364608328,GGA,I4/mmm,ABC_tI12_139_e_c_e:S-Si-Th,6.0,ABC_tI12_139_e_c_e:S-Si-Th +mp-1023900,SiS,-5.452519705,-0.6716357566000001,0.0868433413,0.0868433413,GGA,Pmna,AB_oP8_53_h_g:S-Si,8.0,AB_oP8_53_h_g:S-Si +mp-1080657,SiS4,-4.8497773550000005,-0.4555538555,0.1512294228,0.1512294228,GGA,P2_1/m,A4B_mP10_11_2ef_e:S-Si,10.0,A4B_mP10_11_2ef_e:S-Si +mp-1095294,SiS2,-5.5554271142000005,-0.9893545262,0.0219509375,-0.4377642703,GGA,P2_1/c,A2B_mP12_14_2e_e:S-Si,12.0,A2B_mP12_14_2e_e:S-Si +mp-772875,Ba2SrI6,-3.6372242056,-2.0408196019,0.0141397675,0.0141397675,GGA,P-4b2,A2B6C_tP36_117_ef_3i_ad:Ba-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_tP36_117_3e3f_15i_2ad:Ba-I-Sr, expected Ba4SrI20 to be Ba2SrI6" +mp-752397,Ba2SrI6,-3.6270868494,-2.0306822457,0.0242771236,0.0242771236,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ba-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_3f2j_a:Ba-I-Sr, expected Ba2SrI14 to be Ba2SrI6" +mp-752671,Ba2SrI6,-3.6331738844,-2.0367692807,0.0181900886,0.0181900886,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Ba-I-Sr,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_3e2f_16g_a2d:Ba-I-Sr, expected Ba15Sr5I96 to be Ba2SrI6" +mp-754196,Ba2SrI6,-3.6120988444,-2.0156942407,0.0392651286,0.0392651286,GGA,P-31m,A2B6C_hP9_162_c_k_b:Ba-I-Sr,9.0,A2B6C_hP9_162_c_k_b:Ba-I-Sr +mp-760418,Ba2SrI6,-3.6329235,-2.0365188963,0.0184404731,0.0184404731,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Ba-I-Sr,9.0,"Invalid WP multiplicities - A2B6C_hP9_189_c_2f3g_b:Ba-I-Sr, expected Ba2SrI15 to be Ba2SrI6" +mp-752450,Ba2SrI6,-3.5532293428,-1.9568247391,0.0981346303,0.0981346303,GGA,Ia-3,A2B6C_cI72_206_c_e_a:Ba-I-Sr,36.0,A2B6C_cI72_206_c_e_a:Ba-I-Sr +mp-752682,Ba2Sr7I18,-3.5244944719,-1.9620871254,0.0535262175,0.0535262175,GGA,P-1,A2B18C7_aP27_2_i_9i_a3i:Ba-I-Sr,27.0,"Invalid WP multiplicities - A2B18C7_aP27_2_i_17i_a5i:Ba-I-Sr, expected Ba2Sr11I34 to be Ba2Sr7I18" +mp-754388,BaSrI4,-3.5321938004,-1.9485381682,0.0916664413,0.0916664413,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Ba-I-Sr, expected BaSrI15 to be BaSrI4" +mp-754630,BaSrI4,-3.5526956275,-1.9690399953,0.0711646142,0.0711646142,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Ba-I-Sr, expected BaSrI13 to be BaSrI4" +mp-771640,BaSrI4,-3.5593882815,-1.9757326492,0.0644719602,0.0644719602,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Ba-I-Sr,48.0,"Invalid WP multiplicities - AB4C_mP48_14_7e_29e_7e:Ba-I-Sr, expected Ba7Sr7I29 to be BaSrI4" +mp-752575,BaSrI4,-3.5504145346,-1.9667589024,0.0734457071,0.0734457071,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ba-I-Sr, expected BaSrI11 to be BaSrI4" +mp-754199,BaSrI4,-3.58233133,-1.9986756978,0.0415289117,0.0415289117,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ba-I-Sr,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Ba-I-Sr, expected BaSrI10 to be BaSrI4" +mp-752514,BaSrI4,-3.5976169883,-2.0139613561,0.0262432533,0.0262432533,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_13a_a:Ba-I-Sr, expected BaSrI13 to be BaSrI4" +mp-1178507,BaSrI4,-3.5873934642,-2.0037378319,0.0364667775,0.0364667775,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_13a_a:Ba-I-Sr, expected BaSrI13 to be BaSrI4" +mp-756098,BaSrI4,-3.5549125608,-1.9712569286,0.0689476808,0.0689476808,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-I-Sr,12.0,"Invalid WP multiplicities - AB4C_oC24_36_a_8a_a:Ba-I-Sr, expected BaSrI8 to be BaSrI4" +mp-1178508,BaSrI4,-3.5880111467,-2.0043555144,0.035849095,0.035849095,GGA,Pnna,AB4C_oP24_52_d_2e_c:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_52_d_5e_c:Ba-I-Sr, expected BaSrI10 to be BaSrI4" +mp-752402,BaSrI4,-3.5456254417,-1.9619698094,0.0782348,0.0782348,GGA,Pbcn,AB4C_oP24_60_c_2d_a:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_a:Ba-I-Sr, expected BaSrI10 to be BaSrI4" +mp-752408,BaSrI4,-3.5749526162,-1.991296984,0.0489076254,0.0489076254,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Ba-I-Sr, expected BaSrI10 to be BaSrI4" +mp-1178504,BaSrI4,-3.5984048296,-2.0147491974,0.0254554121,0.0254554121,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_6c3d_c:Ba-I-Sr, expected BaSrI12 to be BaSrI4" +mp-1178528,BaSrI4,-3.5988881342,-2.0152325019,0.0249721075,0.0249721075,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ba-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_6c3d_c:Ba-I-Sr, expected BaSrI12 to be BaSrI4" +mp-1178505,BaSrI4,-3.6003605992,-2.0167049669,0.0234996425,0.0234996425,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ba-I-Sr,12.0,AB4C_tI24_88_a_f_b:Ba-I-Sr +mp-1178506,BaSrI4,-3.6008758967,-2.0172202644,0.022984345,0.022984345,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ba-I-Sr,6.0,AB4C_tP6_123_a_i_d:Ba-I-Sr +mp-768827,BaSrI4,-3.5295949206,-1.9459392883,0.0942653211,0.0942653211,GGA,R3c,AB4C_hR108_161_b_4b_b:Ba-I-Sr,36.0,"Invalid WP multiplicities - AB4C_hR108_161_b_20b_b:Ba-I-Sr, expected BaSrI20 to be BaSrI4" +mp-754852,BaSrI4,-3.602007945,-2.0183523128,0.0218522967,0.0218522967,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ba-I-Sr,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ba-I-Sr, expected BaSrI6 to be BaSrI4" +mp-772883,Ba6Sr11I34,-3.5202719294,-1.9478653897,0.079320314,0.079320314,GGA,P-1,A6B34C11_aP51_2_3i_17i_a5i:Ba-I-Sr,51.0,"Invalid WP multiplicities - A6B34C11_aP51_2_5i_33i_a9i:Ba-I-Sr, expected Ba10Sr19I66 to be Ba6Sr11I34" +mp-754736,BaSr3I8,-3.54703515,-1.982502975,0.0355694946,0.0355694946,GGA,I4/mmm,AB8C3_tI24_139_a_m_bd:Ba-I-Sr,12.0,AB8C3_tI24_139_a_m_bd:Ba-I-Sr +mp-768732,Ba6SrI14,-3.6004317514,-1.9894568946,0.0823650575,0.0823650575,GGA,Cmce,A6B14C_oC84_64_fg_def2g_a:Ba-I-Sr,42.0,"Invalid WP multiplicities - A6B14C_oC84_64_f2g_4d2ef6g_a:Ba-I-Sr, expected Ba10SrI38 to be Ba6SrI14" +mp-756235,Ba3SrI8,-3.6573503583,-2.0545712689,0.0077654804,0.0077654804,GGA,I4/mmm,A3B8C_tI24_139_ad_m_b:Ba-I-Sr,12.0,"Invalid WP multiplicities - A3B8C_tI24_139_a2d_m_b:Ba-I-Sr, expected Ba5SrI8 to be Ba3SrI8" +mp-1220180,NdEuB12,-7.284929305,-0.4865114134,0.0,-0.01065229,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Eu-Nd,14.0,A12BC_cF56_225_g_a_b:B-Eu-Nd +mp-1218054,Ta3Re3B4,-10.289199762,-0.3267516092,0.242331145,0.242331145,GGA,Amm2,A4B3C3_oC20_38_2ad_be_bd:B-Re-Ta,10.0,A4B3C3_oC20_38_2ad_be_bd:B-Re-Ta +mp-3334,Tm2Sn2O7,-7.7256566609,-3.0349625213,0.0,-0.0242811834,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Sn-Tm,22.0,A7B2C2_cF88_227_af_d_c:O-Sn-Tm +mp-1246546,TaSeN,-8.8403037767,-0.9435757658,0.2298501425,0.2298501425,GGA,C2/m,ABC_mC24_12_2i_2i_2i:N-Se-Ta,12.0,ABC_mC24_12_2i_2i_2i:N-Se-Ta +mp-1247523,TaSeN,-8.870124595,-0.9733965841,0.2000293242,0.2000293242,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Se-Ta,6.0,ABC_tP6_129_a_c_c:N-Se-Ta +mp-1095718,YScZn2,-1.731999375,2.0976074846,2.4717796525,2.4717796525,GGA,Immm,ABC2_oI8_71_a_b_e:Sc-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Sc-Y-Zn +mp-1187869,YScZn2,-4.1900119425,-0.3604050829,0.013767085,0.013767085,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Sc-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Sc-Y-Zn +mp-1215629,Zn3PBr3,-2.9123501286,-0.9335475105,0.0,-0.0154036738,GGA,Pm,A3BC3_mP7_6_a2b_a_2ab:Br-P-Zn,7.0,A3BC3_mP7_6_a2b_a_2ab:Br-P-Zn +mp-567718,KTiBr3,-4.4520400953,-1.7190449046,0.0231000726,0.0231000726,GGA,P6_3,A3BC_hP30_173_3c_c_a2b:Br-K-Ti,30.0,"Invalid WP multiplicities - A3BC_hP30_173_13c_c_a4b:Br-K-Ti, expected K3Ti5Br39 to be KTiBr3" +mp-1185173,K3Ti,-1.9424375425,0.8642346719,0.8642346719,0.8642346719,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Ti,4.0,A3B_tI8_139_ad_b:K-Ti +mp-1185189,K3Ti,-1.949575915,0.8570962994,0.8570962994,0.8570962994,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Ti,8.0,A3B_hP8_194_h_c:K-Ti +mp-1189441,ThCrS3,-7.598655058,-1.7034039939,0.0198377747,0.0198377747,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cr-S-Th,20.0,AB3C_oP20_62_a_cd_c:Cr-S-Th +mp-1183387,BaEu3,-8.12560444,0.046890645,0.046890645,0.046890645,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Eu,4.0,AB3_tI8_139_a_bd:Ba-Eu +mp-1183388,BaEu3,-8.13449573,0.037999355,0.037999355,0.037999355,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ba-Eu,8.0,AB3_hP8_194_c_h:Ba-Eu +mp-1183379,BaEu3,-8.11723894,0.055256145,0.055256145,0.055256145,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-Eu,4.0,AB3_cP4_221_a_c:Ba-Eu +mp-1183367,BaEu3,-8.1248096925,0.0476853925,0.0476853925,0.0476853925,GGA,Fm-3m,AB3_cF16_225_a_bc:Ba-Eu,4.0,AB3_cF16_225_a_bc:Ba-Eu +mp-1228016,BaEuS2,-7.4043984475,-2.2921793291,0.0765684425,0.0765684425,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ba-Eu-S,4.0,ABC2_tP4_123_a_d_bc:Ba-Eu-S +mp-1183350,Ba3Eu,-3.9765853125,0.0268963425,0.0268963425,0.0268963425,GGA,Fm-3m,A3B_cF16_225_ac_b:Ba-Eu,4.0,A3B_cF16_225_ac_b:Ba-Eu +mp-36088,La5SmS8,-6.8848945021,-2.4213073168,0.0312751764,0.0312751764,GGA,I-4,A5B8C_tI28_82_ag_2g_c:La-S-Sm,14.0,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_4g_c:La-S-Sm, expected La9SmS16 to be La5SmS8" +mp-1222697,LaSmS2,-6.829999725,-2.3481264816,0.0,-0.003660045,GGA,R-3m,AB2C_hR12_166_a_c_b:La-S-Sm,4.0,AB2C_hR12_166_a_c_b:La-S-Sm +mp-37386,La2SmS4,-6.8445195843,-2.3964624682,0.0350337129,0.0350337129,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-S-Sm,14.0,A2B4C_tI28_122_d_e_a:La-S-Sm +mp-5694,NaHoS2,-5.642022125,-2.0975636507,0.0,-0.154321394,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Na-S,4.0,ABC2_hR12_166_a_b_c:Ho-Na-S +mp-1102611,YbAsS,-4.8184747442,-1.3734158935,0.2922634075,0.2922634075,GGA,Pnma,ABC_oP12_62_c_c_c:As-S-Yb,,ABC_oP12_62_c_c_c:As-S-Yb +mp-10716,YbRh3C,-6.986258306,-0.4140188295,0.0,-0.0601256145,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Yb,,AB3C_cP5_221_b_c_a:C-Rh-Yb +mp-21392,Tb3InC,-3.585575838,1.5911136665,1.9188017672,1.9188017672,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Tb,5.0,ABC3_cP5_221_a_b_c:C-In-Tb +mp-631464,KBePt,-2.8994947533,0.7408202907,0.9254590283,0.9254590283,GGA,F-43m,ABC_cF12_216_a_b_c:Be-K-Pt,3.0,ABC_cF12_216_a_b_c:Be-K-Pt +mp-20395,VAsRh,-7.4972066483,-0.4614292,0.0023137706,0.0023137706,GGA,Pnma,ABC_oP12_62_c_c_c:As-Rh-V,12.0,ABC_oP12_62_c_c_c:As-Rh-V +mp-7206,TcAgO4,-7.025207255,-1.5285489561,0.0,-0.0976030956,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ag-O-Tc,12.0,AB4C_tI24_88_a_f_b:Ag-O-Tc +mp-1208337,TcAgO2,-6.3969006694,-0.6252575767,0.7879020946,0.7879020946,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ag-O-Tc,16.0,AB2C_tI32_141_c_h_d:Ag-O-Tc +mp-1217354,ThUSb4,-6.5107024333,-0.64049023,0.0017566267,0.0017566267,GGA,P4mm,A4BC_tP6_99_abc_a_b:Sb-Th-U,6.0,A4BC_tP6_99_abc_a_b:Sb-Th-U +mp-1197144,Y(Ga5Mo)8,-4.5293245798,-0.1547222759,0.0147621075,0.0147621075,GGA,R-3,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Y,49.0,A40B8C_hR147_148_ad6f_cf_b:Ga-Mo-Y +mp-1209846,Pr3IrI3,-5.2892470943,-1.3462113093,0.0,-0.0892074326,GGA,I4_132,A3BC3_cI56_214_h_a_g:I-Ir-Pr,28.0,A3BC3_cI56_214_h_a_g:I-Ir-Pr +mp-1095742,Nb2VMo,-5.717094655,4.31594691,4.3668332925,4.3668332925,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Nb-V,4.0,AB2C_oI8_71_a_e_b:Mo-Nb-V +mp-1095929,NbV2Mo,-5.524662905,4.2540289175,4.31300535,4.31300535,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Nb-V,4.0,ABC2_oI8_71_a_b_e:Mo-Nb-V +mp-1096452,NbVMo2,-5.8028022625,4.41632557,4.50436173,4.50436173,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Nb-V,4.0,A2BC_oI8_71_e_a_b:Mo-Nb-V +mp-8778,Sm2Au5F21,-4.5821342606,-2.2268613825,0.0,-0.0131939459,GGA,P4_12_12,A5B21C2_tP112_92_a2b_a10b_b:Au-F-Sm,112.0,"Invalid WP multiplicities - A5B21C2_tP112_92_a2b_a12b_b:Au-F-Sm, expected Sm2(AuF5)5 to be Sm2Au5F21" +mp-1186404,PaOsO3,-8.775239868,-1.6588202233,1.164462956,1.164462956,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Pa,5.0,A3BC_cP5_221_c_b_a:O-Os-Pa +mp-981208,YTmHg2,-3.3789759125,-0.4915590958,0.0075480975,0.0075480975,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Tm-Y,4.0,A2BC_cF16_225_c_a_b:Hg-Tm-Y +mp-865587,Y2CuRh,-6.6464218725,-0.5473076808,0.0104629579,0.0104629579,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Rh-Y,4.0,ABC2_cF16_225_a_b_c:Cu-Rh-Y +mp-1222965,LaYIn6,-3.937118595,-0.4480460202,0.0,-0.0008237975,GGA,P4/mmm,A6BC_tP8_123_abi_c_d:In-La-Y,8.0,A6BC_tP8_123_abi_c_d:In-La-Y +mp-1095100,U2SnIr2,-9.380039778,-0.526187731,0.0,-0.0477885603,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ir-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Ir-Sn-U +mp-1080803,USnIr,-8.5124944244,-0.4660224094,0.0,-0.0221863755,GGA,P-62m,ABC_hP9_189_ad_g_f:Ir-Sn-U,9.0,ABC_hP9_189_ad_g_f:Ir-Sn-U +mp-1195976,U2Ta3Ge4,-8.8655616089,-0.3490877944,0.0,-0.0387275201,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Ta-U,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Ta-U +mp-1208236,U2Ta3Ge4,-8.4898442281,0.0266295864,0.3757173808,0.3369898607,GGA,Pnma,A4B3C2_oP36_62_2cd_cd_d:Ge-Ta-U,36.0,A4B3C2_oP36_62_2cd_cd_d:Ge-Ta-U +mp-1222959,LaCo5H3,-5.7714054078,-0.1429860506,0.1683210483,0.1683210483,GGA,P2/m,A5B3C_mP9_10_acgn_bm_e:Co-H-La,9.0,A5B3C_mP9_10_acdn_bm_h:Co-H-La +mp-1080584,LaCo5H4,-5.579064053,-0.174214027,0.12243146,0.12243146,GGA,Cmm2,A5B4C_oC20_35_acd_cd_b:Co-H-La,10.0,A5B4C_oC20_35_acd_cd_b:Co-H-La +mp-1206119,LaCo5H4,-5.576593708,-0.171743682,0.124901805,0.124901805,GGA,Cmmm,A5B4C_oC20_65_aeh_fg_c:Co-H-La,10.0,A5B4C_oC20_65_aeh_fg_c:Co-H-La +mp-998231,KGeCl3,-3.88745914,-1.6316517836000002,0.028222893,-0.0182151605,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-Ge-K,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-Ge-K, expected KGeCl5 to be KGeCl3" +mp-998613,KGeCl3,-3.915682033,-1.6598746766,0.0,-0.0464380535,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Ge-K,10.0,A3BC_hR30_161_b_a_a:Cl-Ge-K +mp-1195339,NbBOs,-9.8481727869,-0.5121513733,0.0009411447,0.0009411447,GGA,Pbam,ABC_oP36_55_2gh_3h_3g:B-Nb-Os,36.0,ABC_oP36_55_2gh_3h_3g:B-Nb-Os +mp-1106338,Nb2B2Os,-9.543410663,-0.5856584527,0.030052569,0.030052569,GGA,P4/mnc,A2B2C_tP20_128_g_h_e:B-Nb-Os,20.0,A2B2C_tP20_128_g_h_e:B-Nb-Os +mp-1200877,HoFe5P3,-7.7645008775,-0.7453428286,0.0,-0.0029749353,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Fe-Ho-P,36.0,A5BC3_oP36_62_5c_c_3c:Fe-Ho-P +mp-1191181,Ho2Fe12P7,-7.7995574124,-0.7186912311,0.0,-0.0143521717,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Ho-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Ho-P +mp-1186870,Rb3Ta,-2.24660875,1.4532362119,1.4532362119,1.4532362119,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Ta,4.0,A3B_tI8_139_ad_b:Rb-Ta +mp-1186869,Rb3Ta,-2.2424297825,1.4574151794,1.4574151794,1.4574151794,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Ta,4.0,A3B_cF16_225_ac_b:Rb-Ta +mp-568557,RbTaN2,-8.4654426894,-1.0876173013,0.0,-0.1940788588,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Rb-Ta,64.0,"Invalid WP multiplicities - A2BC_oP64_61_25c_7c_9c:N-Rb-Ta, expected Rb7Ta9N25 to be RbTaN2" +mp-3579,UGeSe,-7.4303890933,-0.9602726458,0.0,-0.005767285,GGA,I4/mmm,ABC_tI12_139_c_e_e:Ge-Se-U,6.0,ABC_tI12_139_c_e_e:Ge-Se-U +mp-1247380,Zn2InN2,-4.125303822,0.263528338,0.311039688,0.311039688,GGA,P-3m1,AB2C2_hP5_164_a_d_d:In-N-Zn,5.0,AB2C2_hP5_164_a_d_d:In-N-Zn +mp-1095076,Ta2FeB2,-9.760843391,-0.6519713887,0.045421791,0.045421791,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Fe-Ta,10.0,A2BC2_tP10_127_g_a_h:B-Fe-Ta +mp-1080089,TaFeB,-9.62280272,-0.6204058497,0.0,-0.0770963592,GGA,P-62m,ABC_hP9_189_ad_g_f:B-Fe-Ta,9.0,ABC_hP9_189_ad_g_f:B-Fe-Ta +mp-972337,Ti2IrW,-9.91139908,-0.5145119692,0.0,-0.0119653837,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Ti-W,4.0,AB2C_cF16_225_a_c_b:Ir-Ti-W +mp-984052,Ba(LuS2)2,-6.3461096821,-2.4165846182,0.0,-0.0729808507,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Lu-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Lu-S +mp-505362,Ca(LuS2)2,-6.3256999114,-2.3837998561,0.0,-0.0202265414,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Lu-S,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Lu-S +mp-35787,Ca(DyS2)2,-6.3194487529,-2.3530240346,0.0256163257,0.0256163257,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Dy-S,14.0,AB2C4_tI28_122_a_d_e:Ca-Dy-S +mp-1208516,Tb3CrS6,-6.872696719,-2.0352122219,0.0,-0.0047896989,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-S-Tb,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-S-Tb +mp-1245404,Cr2SeN2,-8.346580382,-0.4515811285,0.1939080735,0.1939080735,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cr-N-Se,5.0,A2B2C_hP5_164_d_d_a:Cr-N-Se +mp-1246868,Cr4Se3N2,-7.8084210139,-0.5003194402,0.2572680633,0.2572680633,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Cr-N-Se,18.0,A4B2C3_oP18_58_2g_g_ag:Cr-N-Se +mp-1245634,Cr4Se3N2,-7.8764160797,-0.5683145061,0.1892729975,0.1892729975,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Cr-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:Cr-N-Se +mp-1215421,YbAgS2,-4.460238225,-1.2989722207,0.0656147019,0.0656147019,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ag-S-Yb,,AB2C_tP4_123_a_bc_d:Ag-S-Yb +mp-7962,YbAgS2,-4.4273404450000005,-1.2660744407,0.0985124819,0.0985124819,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ag-S-Yb,,AB2C_tI16_141_a_e_b:Ag-S-Yb +mp-1215482,YbAgS2,-4.348215535,-1.1869495307,0.1776373919,0.1776373919,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-S-Yb,,AB2C_hR12_166_a_c_b:Ag-S-Yb +mp-1192643,Gd6Mg23C,-4.437661148,-0.0879331452,0.0,-0.0160481072,GGA,Fm-3m,AB6C23_cF120_225_a_e_bd2f:C-Gd-Mg,30.0,AB6C23_cF120_225_a_e_bd2f:C-Gd-Mg +mp-1215461,Zr2As3S,-6.9135645317000005,-1.0453634747,0.045526719,0.045526719,GGA,P4mm,A3BC2_tP6_99_ac_b_ab:As-S-Zr,6.0,A3BC2_tP6_99_ac_b_ab:As-S-Zr +mp-1245577,Ga2Sn3N4,-5.8574032011,-0.1428601667,0.1490584417,0.1490584417,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Ga-N-Sn,18.0,A2B4C3_mC36_15_f_2f_ef:Ga-N-Sn +mp-1245576,Ga2Sn3N4,-5.6283459497,0.0861970847,0.3781156931,0.3781156931,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Sn,36.0,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Sn +mp-1246523,Ga3Sn3N5,-5.7573970759,-0.0487172343,0.3095465123,0.3095465123,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Sn,22.0,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Sn +mp-866124,LuTc2W,-9.63867066,-0.088581,0.1196938862,0.1196938862,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Tc-W,4.0,AB2C_cF16_225_a_c_b:Lu-Tc-W +mp-1215968,YBeCu4,-4.589090375,-0.1553052653,0.0416600307,0.0416600307,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Be-Cu-Y,6.0,AB4C_hP6_187_a_ck_e:Be-Cu-Y +mp-22724,CeZrF7,-7.2747419183,-4.1790594119,0.0,-0.0131855737,GGA,P2_1,AB7C_mP18_4_a_7a_a:Ce-F-Zr,18.0,"Invalid WP multiplicities - AB7C_mP18_4_a_12a_a:Ce-F-Zr, expected CeZrF12 to be CeZrF7" +mp-1213767,CeZr2F11,-7.27196011,-4.1251916059,0.0,-0.009190783,GGA,Ibam,AB11C2_oI56_72_a_dj2k_j:Ce-F-Zr,28.0,AB11C2_oI56_72_a_dj2k_j:Ce-F-Zr +mp-505418,CsDyI3,-3.491564266,-1.5071066136,0.0999527153,0.0999527153,GGA,Pnma,ABC3_oP20_62_c_a_cd:Cs-Dy-I,20.0,ABC3_oP20_62_c_a_cd:Cs-Dy-I +mp-14802,LuAu2F9,-4.7438167678,-2.3878146656,0.0,-0.0229279451,GGA,Pbcn,A2B9C_oP144_60_3d_a13d_cd:Au-F-Lu,144.0,A2B9C_oP144_60_3d_a13d_cd:Au-F-Lu +mp-1192722,Te7RuI6,-3.2018458361,-0.3362928437,0.0495606008,0.0495606008,GGA,P-1,A6BC7_aP28_2_6i_i_7i:I-Ru-Te,28.0,A6BC7_aP28_2_6i_i_7i:I-Ru-Te +mp-30085,ThZr2H7,-5.386999564,-0.5611653815000001,0.0809062778,0.0809062778,GGA,Fd-3m,A7BC2_cF80_227_af_b_c:H-Th-Zr,20.0,"Invalid WP multiplicities - A7BC2_cF80_227_a2f_b_c:H-Th-Zr, expected ThZr2H13 to be ThZr2H7" +mp-649616,Pd(XeF8)2,-2.8791033662,-0.9930037014,0.0,-0.0123152973,GGA,Pca2_1,A16BC2_oP76_29_16a_a_2a:F-Pd-Xe,76.0,"Invalid WP multiplicities - A16BC2_oP76_29_62a_a_8a:F-Pd-Xe, expected Pd(Xe4F31)2 to be Pd(XeF8)2" +mp-676816,La2PbF8,-6.5932919791,-3.96815625,0.0304576915,0.0304576915,GGA,P1,A8B2C_aP11_1_8a_2a_a:F-La-Pb,11.0,A8B2C_aP11_1_8a_2a_a:F-La-Pb +mp-1201962,Dy4Te3N2,-6.7266292586,-1.7788453819,0.0,-0.0102535678,GGA,P2_1/c,A4B2C3_mP36_14_4e_2e_3e:Dy-N-Te,36.0,A4B2C3_mP36_14_4e_2e_3e:Dy-N-Te +mp-1192365,Dy3Te3N,-6.2495192282,-1.7371230675,0.0,-0.0001488034,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Dy-N-Te,28.0,A3BC3_mP28_14_3e_e_3e:Dy-N-Te +mp-1187421,ThBeO3,-8.658321612,-3.4596541623,0.402925639,0.402925639,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Th,5.0,AB3C_cP5_221_b_c_a:Be-O-Th +mp-1196714,RbTh2F9,-7.0414997048,-4.2905362648,0.0,-0.0098179089,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-Rb-Th,48.0,A9BC2_oP48_62_c4d_c_d:F-Rb-Th +mp-1186912,Rb3Th,-1.547497735,1.0413673819,1.0413673819,1.0413673819,GGA,Pm-3m,A3B_cP4_221_c_a:Rb-Th,4.0,A3B_cP4_221_c_a:Rb-Th +mp-974760,Rb3Th,-1.5846855925,1.0041795244,1.0041795244,1.0041795244,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Th,4.0,A3B_cF16_225_ac_b:Rb-Th +mp-866684,RbTh3F13,-7.0927015253,-4.2649759135,0.0869620334,0.0869620334,GGA,Pmc2_1,A13BC3_oP34_26_2a3b4c_a_bc:F-Rb-Th,34.0,A13BC3_oP34_26_2a3b4c_a_bc:F-Rb-Th +mp-555463,RbTh3F13,-7.1787418026,-4.3510161909,0.000921756,0.000921756,GGA,Pmc2_1,A13BC3_oP34_26_2a3b4c_a_bc:F-Rb-Th,34.0,"Invalid WP multiplicities - A13BC3_oP34_26_4a6b12c_a_bc:F-Rb-Th, expected RbTh3F34 to be RbTh3F13" +mp-1179390,Rb7Th6F32,-6.4985516989,-3.9982358107,0.0,-0.0081797467,GGA,P-1,A32B7C6_aP45_2_16i_a3i_3i:F-Rb-Th,45.0,"Invalid WP multiplicities - A32B7C6_aP45_2_31i_a6i_6i:F-Rb-Th, expected Rb13Th12F62 to be Rb7Th6F32" +mp-1353670,Rb7Th6F32,-6.4984770518,-3.9981611636,7.46471e-05,-0.0081050996,GGA,R-3,A32B7C6_hR135_148_c5f_af_f:F-Rb-Th,45.0,A32B7C6_hR135_148_c5f_af_f:F-Rb-Th +mp-13978,Rb2ThF6,-6.1983417578,-3.8823639578,0.0,-0.0638269563,GGA,P-62m,A6B2C_hP9_189_fg_c_b:F-Rb-Th,9.0,A6B2C_hP9_189_fg_c_b:F-Rb-Th +mp-9927,MgRhF6,-5.1237051925,-2.5695224769,0.0,-0.043777898,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Rh,8.0,A6BC_hR24_148_f_a_b:F-Mg-Rh +mp-1245779,HfFeN2,-9.622841395,-0.8477913725,0.3482178221,0.3482178221,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Fe-Hf-N,8.0,ABC2_hP8_194_a_c_f:Fe-Hf-N +mp-12920,CePIr,-7.9422655067,-1.2139902261,0.0,-0.0787043163,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Ir-P,6.0,ABC_tI12_109_a_a_a:Ce-Ir-P +mp-1079211,Ce(PIr)2,-7.933899513,-1.0465870073,0.0,-0.0910531545,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ir-P,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Ir-P +mp-1191130,GdReB4,-9.4435644287,-0.5705283440000001,0.0,-0.0546318275,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-Re,24.0,A4BC_oP24_55_4h_g_g:B-Gd-Re +mp-1102209,GdRe2,-11.4412890625,1.5471031408,1.5471031408,1.5471031408,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Gd-Re,12.0,AB2_hP12_194_f_ah:Gd-Re +mp-1190894,Gd3ReB7,-9.7781496664,-0.5573645481,0.0,-0.0229832772,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Gd-Re,22.0,A7B3C_oC44_63_c3f_cf_c:B-Gd-Re +mp-1246014,Mg3(InN2)2,-5.1912296278,-0.3412088156,0.1913468404,0.1913468404,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:In-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:In-Mg-N +mp-1245913,Mg(InN)2,-5.054591298,-0.299263826,0.0412960143,0.0412960143,GGA,R-3m,A2BC2_hR15_166_c_a_c:In-Mg-N,5.0,A2BC2_hR15_166_c_a_c:In-Mg-N +mp-1247445,Mg2InN2,-4.775840868,-0.250794132,0.3672462085,0.3672462085,GGA,P-3m1,AB2C2_hP5_164_a_d_d:In-Mg-N,5.0,AB2C2_hP5_164_a_d_d:In-Mg-N +mp-557145,CrSbF10,-5.2044938098,-2.463090611,0.0,-0.0195452617,GGA+U,P2_1/c,AB10C_mP48_14_e_10e_ac:Cr-F-Sb,48.0,"Invalid WP multiplicities - AB10C_mP48_14_e_39e_2ac:Cr-F-Sb, expected Cr2Sb3F78 to be CrSbF10" +mp-1220630,Pr16Re25B24,-8.6835065558,-0.254074645,0.0352548915,0.0352548915,GGA,C2/m,A24B16C25_mC130_12_6j_4i2j_a4i4j:B-Pr-Re,65.0,"Invalid WP multiplicities - A24B16C25_mC130_12_18j_7i8j_a8i15j:B-Pr-Re, expected Pr46Re77B72 to be Pr16Re25B24" +mp-2933,Pr2(ReB2)3,-8.3294174409,-0.4228952873,0.0,-0.0381746973,GGA,C2/c,A6B2C3_mC44_15_3f_f_ef:B-Pr-Re,22.0,A6B2C3_mC44_15_3f_f_ef:B-Pr-Re +mp-1209484,Pr4Re,-5.675706465,0.637923576,0.637923576,0.637923576,GGA,Fd-3m,A4B_cF40_227_e_a:Pr-Re,10.0,A4B_cF40_227_e_a:Pr-Re +mp-1102111,PrRe2,-9.8215807567,0.0684059517,0.0684059517,0.0684059517,GGA,P6_3/mmc,AB2_hP12_194_f_ah:Pr-Re,12.0,AB2_hP12_194_f_ah:Pr-Re +mp-570811,PrRe2,-9.79157339,0.0984133183,0.0984133183,0.0984133183,GGA,Fd-3m,AB2_cF24_227_a_d:Pr-Re,6.0,AB2_cF24_227_a_d:Pr-Re +mp-574199,Sm(NiP)2,-6.426097418,-1.0050045163,0.1685788296,0.1685788296,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Sm,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Sm +mp-1190918,Sm2Ni12P7,-6.3136261686,-0.7568675983,0.2263629363,0.2263629363,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Sm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Sm +mp-1209514,Sm9(Ni13P6)2,-6.2851109285,-0.8019096737,0.5476553019,0.5476553019,GGA,P-6m2,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Sm,47.0,A26B12C9_hP47_187_ad3jklm_2kl_j2k:Ni-P-Sm +mp-1210497,Sm8Ni18P11,-6.3934672184,-0.9519137888,0.387047137,0.387047137,GGA,P-6m2,A18B11C8_hP74_187_3j3kl2m_aj2klm_cj2kl:Ni-P-Sm,74.0,A18B11C8_hP74_187_3j3kl2m_aj2klm_cj2kl:Ni-P-Sm +mp-680451,Sm25Ni49P33,-6.4163288614,-0.9973537828,0.3573458929,0.3573458929,GGA,P-6m2,A49B33C25_hP107_187_a3j3k3l2m_2j3k2lm_cj3klm:Ni-P-Sm,107.0,"Invalid WP multiplicities - A49B33C25_hP107_187_a9j8k17l11m_5j9k9l4m_c3j7k3l5m:Ni-P-Sm, expected Sm79(Ni11P6)20 to be Sm25Ni49P33" +mp-1211636,Sm15(Ni4P3)7,-6.4368086225,-1.0258403146,0.303852912,0.303852912,GGA,P6_3/m,A28B21C15_hP128_176_c9h_7h_5h:Ni-P-Sm,128.0,A28B21C15_hP128_176_c9h_7h_5h:Ni-P-Sm +mp-1219454,Sm3Ni7P5,-6.3989377187,-0.9533892054,0.3090883737,0.3090883737,GGA,Pm,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Sm,60.0,A7B5C3_mP60_6_13a15b_10a10b_6a6b:Ni-P-Sm +mp-1102777,SmNiP,-6.4828729792,-1.1788645386,0.317390633,0.317390633,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ni-P-Sm,12.0,ABC_hP12_194_f_f_ab:Ni-P-Sm +mp-1208731,Sm6Ni20P13,-6.38710063,-0.8925574762,0.2822118244,0.2822118244,GGA,P-6,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Sm,39.0,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Sm +mp-21916,Sm(Ni2P)2,-6.3238831145,-0.8002062762000001,0.4086405393,0.4086405393,GGA,Pnnm,A4B2C_oP42_58_6g_3g_ag:Ni-P-Sm,42.0,"Invalid WP multiplicities - A4B2C_oP42_58_22g_7g_2a2g:Ni-P-Sm, expected Sm3Ni22P7 to be Sm(Ni2P)2" +mp-1095427,HfCoP,-8.6232712042,-1.1303347603,0.0,-0.1086893179,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Hf-P,12.0,ABC_oP12_62_c_c_c:Co-Hf-P +mp-1224559,Hf20Co5P11,-9.1608342731,-0.9877315745,0.0240541382,0.0240541382,GGA,Pm,A5B20C11_mP36_6_2a3b_10a10b_6a5b:Co-Hf-P,36.0,A5B20C11_mP36_6_2a3b_10a10b_6a5b:Co-Hf-P +mp-29154,Hf2CoP,-9.0361701325,-0.9271705421,0.0,-0.013591547,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Co-Hf-P,8.0,AB2C_mP8_11_e_2e_e:Co-Hf-P +mp-1212466,Hf5CoP3,-9.1951014717,-1.0690825311,0.0,-0.0155689092,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Co-Hf-P,36.0,AB5C3_oP36_62_c_5c_3c:Co-Hf-P +mp-1103031,Hf4CoP,-9.3478269625,-0.6227642256,0.0391238088,0.0391238088,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Co-Hf-P,12.0,AB4C_tP12_124_a_m_c:Co-Hf-P +mp-18581,Hf2Co4P3,-8.1743220936,-0.9979268981,0.0,-0.0699255544,GGA,P-62m,A4B2C3_hP36_189_agjk_cfg_2fk:Co-Hf-P,36.0,"Invalid WP multiplicities - A4B2C3_hP36_189_a2g3j3k_c3f3g_6f4k:Co-Hf-P, expected Hf20Co43P42 to be Hf2Co4P3" +mp-1184136,DyYMg2,-3.6612788975,-0.0928243842,0.0024499025,0.0024499025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Dy-Mg-Y,4.0,AB2C_cF16_225_a_c_b:Dy-Mg-Y +mp-979712,DyYZn2,-3.755005105,-0.3568188117,0.0,-8.527e-05,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Dy-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Dy-Y-Zn +mp-1217145,Ti2As4W3,-8.51683148,-0.3721816641,0.0667697956,0.0667697956,GGA,Cm,A4B2C3_mC18_8_4a_2a_3a:As-Ti-W,9.0,A4B2C3_mC18_8_4a_2a_3a:As-Ti-W +mp-1101109,Ti2As4W3,-8.5709976339,-0.426347818,0.0126036417,0.0126036417,GGA,P4_2/m,A4B2C3_tP18_84_2j_j_cj:As-Ti-W,18.0,"Invalid WP multiplicities - A4B2C3_tP18_84_7j_j_2cj:As-Ti-W, expected TiAs7W2 to be Ti2As4W3" +mp-1207095,SiPAu,-4.8799712967,-0.1758037844,0.0,-0.085652415,GGA,R3m,ABC_hR9_160_a_a_a:Au-P-Si,3.0,ABC_hR9_160_a_a_a:Au-P-Si +mp-1077950,Tl2Pd3S2,-4.5700571,-0.4932240347,0.0,-0.0419103781,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Pd-S-Tl,7.0,A3B2C2_hR21_166_d_c_ab:Pd-S-Tl +mp-8799,RbNaS,-3.365335245,-1.2188321674,0.0,-0.022598485,GGA,P4/nmm,ABC_tP6_129_a_c_c:Na-Rb-S,6.0,ABC_tP6_129_a_c_c:Na-Rb-S +mp-4984,SiB2Mo5,-9.5259257687,-0.3993817535,0.0089891644,0.0089891644,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Mo-Si,16.0,"Invalid WP multiplicities - A2B5C_tI32_140_h_2c2l_a:B-Mo-Si, expected Si(BMo5)2 to be SiB2Mo5" +mp-1222003,MgCdS2,-3.883078465,-1.1840610791,0.0966354888,0.0966354888,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Mg-S,4.0,ABC2_tP4_123_a_d_bc:Cd-Mg-S +mp-1105708,Pr5Ge3C,-5.789242265,-0.5667669503,0.079827517,0.079827517,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Pr,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Pr +mp-20978,Ho3TlC,-3.444996252,1.6227107978,1.928731188,1.928731188,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Ho-Tl,5.0,AB3C_cP5_221_a_c_b:C-Ho-Tl +mp-28767,Sc5Re2C7,-9.137469625,-0.483751172,0.0,-0.1335179188,GGA,Cmmm,A7B2C5_oC28_65_aehi_g_bq:C-Re-Sc,14.0,"Invalid WP multiplicities - A7B2C5_oC28_65_aehi_g_b2q:C-Re-Sc, expected Sc9Re2C7 to be Sc5Re2C7" +mp-1216231,VW,-11.08955321,-0.06853506,0.0,-0.0108183117,GGA,Cmmm,AB_oC4_65_a_c:V-W,2.0,AB_oC4_65_a_c:V-W +mp-1187702,VW3,-12.0761493125,-0.0865751225,0.0,-0.0523075925,GGA,Fm-3m,AB3_cF16_225_a_bc:V-W,4.0,AB3_cF16_225_a_bc:V-W +mp-1096713,Nb2VW,-5.978764335,4.5823972600000005,4.61666479,4.61666479,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-V-W,4.0,A2BC_oI8_71_e_a_b:Nb-V-W +mp-1093743,NbVW2,-6.3892108625,4.88615703,4.9465783562,4.9465783562,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-V-W,4.0,ABC2_oI8_71_a_b_e:Nb-V-W +mp-673854,NdVSb3,-5.6545852915,-0.406773847,0.2368840555,0.2368840555,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Nd-Sb-V,20.0,"Invalid WP multiplicities - AB3C_oP20_57_d_3c8d_c:Nd-Sb-V, expected NdVSb11 to be NdVSb3" +mp-1173468,NdVSb3,-5.316528038,-0.0687165935,0.5749413090000001,0.5749413090000001,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:Nd-Sb-V,20.0,"Invalid WP multiplicities - AB3C_oP20_57_d_3c8d_c:Nd-Sb-V, expected NdVSb11 to be NdVSb3" +mp-571210,YGaI,-4.8582198733,-1.2022420447,0.0,-0.0505016283,GGA,P-3m1,ABC_hP6_164_d_d_c:Ga-I-Y,6.0,ABC_hP6_164_d_d_c:Ga-I-Y +mp-571442,YI3,-4.4812481275,-1.7596055867,0.0,-1.221183845,GGA,R-3,A3B_hR24_148_f_c:I-Y,8.0,A3B_hR24_148_f_c:I-Y +mp-1065933,YI,-5.046762215,-1.0768434833,0.0962269078,0.0962269078,GGA,P-3m1,AB_hP4_164_d_d:I-Y,4.0,AB_hP4_164_d_d:I-Y +mp-642644,V2H,-7.3850630867,-0.198217025,0.0,-0.0367404967,GGA,C2/m,AB2_mC6_12_a_i:H-V,3.0,AB2_mC6_12_a_i:H-V +mp-642659,V2H,-7.3847257617,-0.1978797,0.000337325,-0.0364031717,GGA,I4_1/amd,AB2_tI24_141_c_h:H-V,12.0,AB2_tI24_141_c_h:H-V +mp-24728,VH2,-5.61236869,-0.3225826367,0.0,-0.1611061083,GGA,Fm-3m,A2B_cF12_225_c_a:H-V,3.0,A2B_cF12_225_c_a:H-V +mp-1017530,VH,-6.213660805,0.0246552525,0.2850550833,0.2850550833,GGA,P6_3/mmc,AB_hP4_194_c_a:H-V,4.0,AB_hP4_194_c_a:H-V +mp-1002114,VH,-6.48053085,-0.2422147925,0.0181850383,0.0181850383,GGA,Fm-3m,AB_cF8_225_a_b:H-V,2.0,AB_cF8_225_a_b:H-V +mp-1220315,NbVH4,-5.77870814,-0.3193555917,0.0120401583,0.0120401583,GGA,P4/mmm,A4BC_tP6_123_i_a_d:H-Nb-V,6.0,A4BC_tP6_123_i_a_d:H-Nb-V +mp-1180711,KO2,-4.6351750442,-0.9672495877,0.0207823758,-0.0945391767,GGA,P2_1/c,AB2_mP12_14_e_2e:K-O,12.0,AB2_mP12_14_e_2e:K-O +mp-1180742,KO2,-4.6290799267,-0.9611544702,0.0268774933,-0.0884440592,GGA,P2_1/c,AB2_mP12_14_e_2e:K-O,12.0,AB2_mP12_14_e_2e:K-O +mp-734250,KO2,-4.5805305508,-0.9126050943,0.0754268692,-0.0398946833,GGA,P2_1/c,AB2_mP12_14_e_2e:K-O,12.0,AB2_mP12_14_e_2e:K-O +mp-21325,KO2,-4.605374985,-0.9374495285,0.050582435,-0.0647391175,GGA,C2/c,AB2_mC12_15_c_f:K-O,6.0,AB2_mC12_15_c_f:K-O +mp-1071539,KO2,-4.45597575,-0.7880502935,0.19998167,0.0846601175,GGA,C2/c,AB2_mC12_15_a_f:K-O,6.0,AB2_mC12_15_c_f:K-O +mp-1866,KO2,-4.65595742,-0.9880319635,0.0,-0.1153215525,GGA,I4/mmm,AB2_tI6_139_a_e:K-O,3.0,AB2_tI6_139_a_e:K-O +mp-1223320,KO2,-3.66644153,0.0014839265,0.98951589,0.8741943375000001,GGA,P4/mmm,AB2_tP3_123_a_bc:K-O,3.0,AB2_tP3_123_a_bc:K-O +mp-998916,KO2,-4.6108483525,-0.942922896,0.0451090675,-0.070212485,GGA,Pa-3,AB2_cP12_205_a_c:K-O,12.0,AB2_cP12_205_a_c:K-O +mp-1206970,KPaO3,-8.656407698,-3.5633817498,0.0,-0.624941135,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Pa,5.0,AB3C_cP5_221_a_c_b:K-O-Pa +mp-998913,KO3,-4.6486416925,-0.6610254223,0.0799985503,0.0799985503,GGA,Imm2,AB3_oI8_44_a_ac:K-O,4.0,"Invalid WP multiplicities - AB3_oI8_44_a_a2c:K-O, expected KO5 to be KO3" +mp-1726,KO3,-4.6448687087,-0.6572524386,0.0837715341,0.0837715341,GGA,I4/mcm,AB3_tI32_140_ab_hk:K-O,16.0,"Invalid WP multiplicities - AB3_tI32_140_ab_h2k:K-O, expected KO5 to be KO3" +mp-776081,K2O,-3.54922749,-1.1600652882,0.0882173633,-0.296011696,GGA,P2_1,A2B_mP6_4_2a_a:K-O,6.0,"Invalid WP multiplicities - A2B_mP6_4_3a_a:K-O, expected K3O to be K2O" +mp-998914,K2O,-3.5962947517,-1.2071325499,0.0411501017,-0.3430789577,GGA,C2/m,A2B_mC12_12_2i_i:K-O,6.0,"Invalid WP multiplicities - A2B_mC12_12_3i_i:K-O, expected K3O to be K2O" +mp-684904,K2O,-3.597807855,-1.2086456532,0.0396369983,-0.344592061,GGA,C2/c,A2B_mC12_15_f_e:K-O,6.0,A2B_tI12_141_e_a:K-O +mp-971,K2O,-3.6374448533,-1.2482826516,0.0,-0.3842290593,GGA,Fm-3m,A2B_cF12_225_c_a:K-O,3.0,A2B_cF12_225_c_a:K-O +mp-998915,K2O,-3.6078905033,-1.2187283016,0.02955435,-0.3546747093,GGA,Pnnm,A2B_oP6_58_g_a:K-O,6.0,A2B_oP6_58_g_a:K-O +mp-776016,K2O,-3.6170235496,-1.2278613478,0.0204213038,-0.3638077556,GGA,Pbca,A2B_oP24_61_2c_c:K-O,24.0,"Invalid WP multiplicities - A2B_oP24_61_5c_c:K-O, expected K5O to be K2O" +mp-1223784,K2O,-3.4374803,-1.0483180982,0.1999645533,-0.184264506,GGA,P4/mmm,A2B_tP3_123_bc_a:K-O,3.0,A2B_tP3_123_bc_a:K-O +mp-776104,K2O,-3.5863774629,-1.1972152612,0.0510673904,-0.3331616689,GGA,P4_2/nmc,A2B_tP24_137_cdf_g:K-O,24.0,"Invalid WP multiplicities - A2B_tP24_137_3c3d3f_g:K-O, expected K6O to be K2O" +mp-936219,K2O,-3.5979886633,-1.2088264616,0.03945619,-0.3447728693,GGA,I4_1/amd,A2B_tI12_141_e_a:K-O,6.0,A2B_tI12_141_e_a:K-O +mp-998929,K2O,-3.5780503967,-1.1888881949,0.0593944567,-0.3248346027,GGA,P3,A2B_hP9_143_2d_abc:K-O,9.0,"Invalid WP multiplicities - A2B_hP9_143_5d_abc:K-O, expected K5O to be K2O" +mp-1097008,K2O2,-4.056249745,-1.0277059159,0.2683744725,0.0904513917,GGA,Cmcm,AB_oC8_63_c_c:K-O,4.0,AB_oC8_63_c_c:K-O +mp-2672,K2O2,-4.3246242175,-1.2960803884,0.0,-0.1779230808,GGA,Cmce,AB_oC16_64_e_f:K-O,8.0,AB_oC16_64_e_f:K-O +mp-998917,K2O2,-4.3011488700000005,-1.2726050409,0.0234753475,-0.1544477333,GGA,P-62m,AB_hP12_189_fg_eh:K-O,12.0,AB_hP12_189_fg_eh:K-O +mp-1207032,Y(PPd)2,-6.461612928,-0.9310449787,0.0007953979,0.0007953979,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Y,5.0,A2B2C_tI10_139_e_d_a:P-Pd-Y +mp-1187795,Y3P,-6.5133488725,-0.3101699108,0.5026379892,0.5026379892,GGA,I4/mmm,AB3_tI8_139_a_bd:P-Y,4.0,AB3_tI8_139_a_bd:P-Y +mp-1187778,Y3P,-6.520707265,-0.3175283033,0.4952795967,0.4952795967,GGA,Pm-3m,AB3_cP4_221_a_c:P-Y,4.0,AB3_cP4_221_a_c:P-Y +mp-16731,YP,-7.014731305,-1.074844495,0.550771305,-0.6621857557,GGA,Pm-3m,AB_cP2_221_a_b:P-Y,2.0,AB_cP2_221_a_b:P-Y +mp-994,YP,-7.56550261,-1.6256157999999998,0.0,-1.2129570607,GGA,Fm-3m,AB_cF8_225_a_b:P-Y,2.0,AB_cF8_225_a_b:P-Y +mp-9854,YP5,-6.1283299283,-0.5394993206,0.0023726128,0.0023726128,GGA,P2_1/m,A5B_mP12_11_e2f_e:P-Y,12.0,A5B_mP12_11_e2f_e:P-Y +mp-1018673,CoPPd,-6.5025123767,-0.6020116728,0.0,-0.0848840464,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-P-Pd,6.0,ABC_tP6_129_a_c_c:Co-P-Pd +mp-1188372,UVSe3,-7.424289673,-1.2516795704,0.0049169097,0.0049169097,GGA,Pnma,A3BC_oP20_62_cd_c_a:Se-U-V,20.0,A3BC_oP20_62_cd_c_a:Se-U-V +mp-1063610,UV2,-9.3385224933,0.4812182233,0.4812182233,0.4812182233,GGA,P6/mmm,AB2_hP3_191_a_d:U-V,3.0,AB2_hP3_191_a_d:U-V +mp-1192620,U8VSe17,-7.551387981199999,-1.4419387015,0.0,-0.026856582,GGA,C2/m,A17B8C_mC52_12_a4i2j_2ij_c:Se-U-V,26.0,A17B8C_mC52_12_a4i2j_2ij_d:Se-U-V +mp-1188283,V8N,-9.3709569278,-0.3700965406,0.0,-0.0066201219,GGA,P4_2/mnm,AB8_tP18_136_a_2fi:N-V,18.0,AB8_tP18_136_a_2fi:N-V +mp-1048410,VN,-9.8692076775,-1.15900718,0.1830138725,-0.0866159325,GGA,P2_1/m,AB_mP4_11_e_e:N-V,4.0,AB_mP4_11_e_e:N-V +mp-2394167,VN,-9.876912455,-1.1667119575,0.175309095,-0.09432071,GGA,P4/nmm,AB_tP4_129_c_c:N-V,4.0,AB_tP4_129_c_c:N-V +mp-1018027,VN,-10.05222155,-1.3420210525,0.0,-0.269629805,GGA,P-6m2,AB_hP2_187_a_d:N-V,2.0,AB_hP2_187_a_d:N-V +mp-1017532,VN,-9.9442597075,-1.23405921,0.1079618425,-0.1616679625,GGA,P6_3/mmc,AB_hP4_194_c_a:N-V,4.0,AB_hP4_194_c_a:N-V +mp-1001826,VN,-9.726969295,-1.0167687975,0.325252255,0.05562245,GGA,F-43m,AB_cF8_216_a_c:N-V,2.0,AB_cF8_216_a_c:N-V +mp-1002105,VN,-9.373852945,-0.6636524475000001,0.6783686050000001,0.4087387999999999,GGA,Pm-3m,AB_cP2_221_a_b:N-V,2.0,AB_cP2_221_a_b:N-V +mp-925,VN,-9.86211652,-1.1519160225,0.19010503,-0.079524775,GGA,Fm-3m,AB_cF8_225_a_b:N-V,2.0,AB_cF8_225_a_b:N-V +mp-1069841,V2N3,-9.613063414,-0.977604031,0.096012811,0.096012811,GGA,P-3m1,A3B2_hP5_164_ac_d:N-V,5.0,A3B2_hP5_164_ac_d:N-V +mp-1216851,V32N3,-9.2982128223,-0.2783705647,0.0071324809,0.0071324809,GGA,P2/m,A3B32_mP35_10_an_8m8n:N-V,35.0,"Invalid WP multiplicities - A3B32_mP35_10_an_12m12n:N-V, expected V16N to be V32N3" +mp-33090,V2N,-9.9251982778,-1.0904292561,0.0,-0.1649472802,GGA,P-31m,AB2_hP9_162_ad_k:N-V,9.0,AB2_hP9_162_ad_k:N-V +mp-1216464,V4N3,-9.90368341,-1.1400964021,0.0940995948,0.0940995948,GGA,I4/mmm,A3B4_tI14_139_ad_ce:N-V,7.0,"Invalid WP multiplicities - A3B4_tI14_139_a2d_2c2e:N-V, expected V8N5 to be V4N3" +mp-1216472,V4N3,-9.8353520471,-1.0717650393,0.1624309576,0.1624309576,GGA,R-3m,A3B4_hR21_166_ac_2c:N-V,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:N-V, expected V4N5 to be V4N3" +mp-1080199,V3N4,-9.630361835,-0.9735478479,0.1767559114,0.1767559114,GGA,P6_3/m,A4B3_hP14_176_ch_h:N-V,14.0,A4B3_hP14_176_ch_h:N-V +mp-1224241,HfV2N3,-10.2330721967,-1.3773245392,0.16020083,0.16020083,GGA,Immm,AB3C2_oI12_71_a_cf_e:Hf-N-V,6.0,"Invalid WP multiplicities - AB3C2_oI12_71_a_c2f_e:Hf-N-V, expected HfV2N5 to be HfV2N3" +mp-1029312,RbVN2,-7.6002816388,-0.9159241406,0.0,-0.1074831396,GGA,I-42d,A2BC_tI16_122_d_a_b:N-Rb-V,8.0,A2BC_tI16_122_d_a_b:N-Rb-V +mp-1245349,Rb7VN4,-4.1076959129,0.0001061102,0.3970344736,0.3970344736,GGA,Pa-3,A4B7C_cP96_205_cd_c2d_c:N-Rb-V,96.0,A4B7C_cP96_205_cd_c2d_c:N-Rb-V +mp-1217971,Ta2H,-9.1820548333,-0.145961065,0.06217699,-0.0406426383,GGA,C2/m,AB2_mC6_12_a_i:H-Ta,3.0,AB2_mC6_12_a_i:H-Ta +mp-24082,Ta2H,-9.2442318233,-0.208138055,0.0,-0.1028196283,GGA,C222,AB2_oC6_21_a_k:H-Ta,3.0,AB2_oC6_21_a_k:H-Ta +mp-632311,Ta2H,-9.2062868667,-0.1701930983,0.0379449567,-0.0648746717,GGA,P-4m2,AB2_tP3_115_a_g:H-Ta,3.0,AB2_tP3_115_a_g:H-Ta +mp-1208559,TaH4,-4.878976346,0.206760016,0.333142128,0.333142128,GGA,Im-3m,A4B_cI10_229_c_a:H-Ta,5.0,A4B_cI10_229_c_a:H-Ta +mp-24723,TaH2,-6.42504676,-0.2106368533,0.0,-0.1065678258,GGA,Fm-3m,A2B_cF12_225_c_a:H-Ta,3.0,A2B_cF12_225_c_a:H-Ta +mp-1217816,TaVH4,-6.01826386,-0.26616588,0.000443865,0.000443865,GGA,R-3m,A4BC_hR18_166_2c_a_b:H-Ta-V,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:H-Ta-V, expected TaVH6 to be TaVH4" +mp-1247545,NbMoN3,-9.755764489,-0.564476504,0.1895127721,0.1895127721,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Nb,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Nb +mp-1220438,NbMoN2,-9.9980906,-0.5931043500000001,0.3045520556,0.3045520556,GGA,R-3m,AB2C_hR12_166_a_c_b:Mo-N-Nb,4.0,AB2C_hR12_166_a_c_b:Mo-N-Nb +mp-20541,V2P,-8.6474540908,-0.7870825419,0.0,-0.0024787514,GGA,Pnma,AB2_oP12_62_c_2c:P-V,12.0,AB2_oP12_62_c_2c:P-V +mp-18350,V3P,-8.8305659656,-0.6643107865,0.0,-0.07399888,GGA,P4_2/n,AB3_tP32_86_g_3g:P-V,32.0,AB3_tP32_86_g_3g:P-V +mp-684675,V12P7,-8.5668319179,-0.8352534765,0.0,-0.0283160192,GGA,P-6,A7B12_hP19_174_ajk_2j2k:P-V,19.0,"Invalid WP multiplicities - A7B12_hP19_174_aj2k_5j6k:P-V, expected V33P10 to be V12P7" +mp-1208564,TaVP,-9.6087860325,-0.8237906303,0.0,-0.0625680756,GGA,Pnma,ABC_oP12_62_c_c_c:P-Ta-V,12.0,ABC_oP12_62_c_c_c:P-Ta-V +mp-9923,VP2,-7.2481746433,-0.6113376156,0.0,-0.0594197428,GGA,C2/m,A2B_mC12_12_2i_i:P-V,6.0,A2B_mC12_12_2i_i:P-V +mp-1188605,V5P3,-8.4948434025,-0.7874136688000001,0.0484655398,0.0484655398,GGA,P6_3/mcm,A3B5_hP16_193_g_dg:P-V,16.0,A3B5_hP16_193_g_dg:P-V +mp-1192783,V4P3,-8.3517647121,-0.840974455,0.0,-0.0150216573,GGA,Cmcm,A3B4_oC56_63_2c2f_ac3f:P-V,28.0,A3B4_oC56_63_2c2f_ac3f:P-V +mp-8251,VP4,-6.488948797,-0.3415255777,0.0252769917,0.0252769917,GGA,C2/c,A4B_mC20_15_2f_e:P-V,10.0,"Invalid WP multiplicities - A4B_mC20_15_3f_e:P-V, expected VP6 to be VP4" +mp-1114,VP,-8.06351253,-0.8149082417,0.0,-0.0428248385,GGA,P6_3/mmc,AB_hP4_194_c_a:P-V,4.0,AB_hP4_194_c_a:P-V +mp-569402,VP,-7.67286633,-0.4242620417,0.3906462,0.3478213615,GGA,P6_3/mmc,AB_hP4_194_a_c:P-V,4.0,AB_hP4_194_a_c:P-V +mp-1191845,Y2Co17H3,-6.6871674314,-0.143870937,0.0434355813,0.0434355813,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Co-H-Y,22.0,A17B3C2_hR66_166_cdfh_e_c:Co-H-Y +mp-570319,YCo3H2,-6.0374838189,-0.2746710542,0.1334543319,0.1334543319,GGA,R-3m,A3B2C_hR54_166_ach_h_bc:Co-H-Y,18.0,"Invalid WP multiplicities - A3B2C_hR54_166_a2c2h_h_b2c:Co-H-Y, expected Y5Co17H6 to be YCo3H2" +mp-569037,Y3H2,-5.711311944,-0.474338858,0.0154116053,0.0154116053,GGA,P6_3/mmc,A2B3_hP10_194_f_cf:H-Y,10.0,"Invalid WP multiplicities - A2B3_hP10_194_f_2c2f:H-Y, expected Y3H to be Y3H2" +mp-1205301,Y3H,-5.9914660069,-0.2934311606,0.012662879,0.012662879,GGA,Pmma,AB3_oP16_51_i_efij:H-Y,16.0,AB3_oP16_51_i_efij:H-Y +mp-32697,Y10H21,-5.1860662732,-0.801809561,0.0033235466,0.0033235466,GGA,P-1,A21B10_aP31_2_a10i_5i:H-Y,31.0,"Invalid WP multiplicities - A21B10_aP31_2_a17i_9i:H-Y, expected Y18H35 to be Y10H21" +mp-24650,YH2,-5.2335585067,-0.8162507722,0.0,-0.0271338741,GGA,Fm-3m,A2B_cF12_225_c_a:H-Y,3.0,A2B_cF12_225_c_a:H-Y +mp-23706,YH3,-4.8910403942,-0.7298780821,0.0002107896,-0.1084756723,GGA,P-3c1,A3B_hP24_165_adg_f:H-Y,24.0,A3B_hP24_165_adg_f:H-Y +mp-1178678,YH3,-4.8912511837,-0.7300888717,0.0,-0.1086864619,GGA,P6_3cm,A3B_hP24_185_ab2c_c:H-Y,24.0,A3B_hP24_185_ab2c_c:H-Y +mp-24513,YH3,-4.7055684725,-0.5444061604,0.1856827113,0.0769962494,GGA,P6_3/mmc,A3B_hP8_194_af_c:H-Y,8.0,A3B_hP8_194_af_c:H-Y +mp-1084805,YH3,-4.8827130637,-0.7215507517,0.00853812,-0.1001483419,GGA,P6_3/mmc,A3B_hP8_194_bf_c:H-Y,8.0,A3B_hP8_194_bf_c:H-Y +mp-555934,VF2,-7.3022407867,-2.999952785,0.0,-0.1060037036,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:F-V,6.0,A2B_tP6_136_f_a:F-V +mp-760168,V6F13,-7.1465615834,-2.9701056362,0.0766052308,0.0766052308,GGA+U,P-1,A13B6_aP38_2_13i_6i:F-V,38.0,"Invalid WP multiplicities - A13B6_aP38_2_25i_11i:F-V, expected V11F25 to be V6F13" +mp-1101228,V2F9,-6.0483926536,-2.8328360311000003,0.0625059189,0.0625059189,GGA+U,P6_3cm,A9B2_hP22_185_3c_2a:F-V,22.0,"Invalid WP multiplicities - A9B2_hP22_185_14c_3a:F-V, expected VF14 to be V2F9" +mp-1101229,V2F9,-6.0439231977,-2.8283665752,0.0669753748,0.0669753748,GGA+U,P6_3/mcm,A9B2_hP22_193_gk_e:F-V,22.0,"Invalid WP multiplicities - A9B2_hP22_193_6g6k_e:F-V, expected VF27 to be V2F9" +mp-759972,VF4,-6.3088855630000005,-2.962921175,0.039051414,0.0201208922,GGA+U,Pc,A4B_mP10_7_4a_a:F-V,10.0,"Invalid WP multiplicities - A4B_mP10_13_8g_e:F-V, expected VF16 to be VF4" +mp-1873967,VF4,-6.003730882,-2.657766494,0.344206095,0.3252755732,GGA+U,Cc,A4B_mC20_9_4a_a:F-V,10.0,A4B_aP10_1_8a_2a:F-V +mp-850937,VF4,-6.328945985,-2.982981597,0.018990992,6.04702e-05,GGA+U,P2_1/c,A4B_mP20_14_4e_e:F-V,20.0,"Invalid WP multiplicities - A4B_mP20_14_11e_e:F-V, expected VF11 to be VF4" +mp-863400,VF4,-6.3126910725,-2.9667266845,0.0352459045,0.0163153827,GGA+U,P2_1/c,A4B_mP20_14_4e_e:F-V,20.0,"Invalid WP multiplicities - A4B_mP20_14_7e_e:F-V, expected VF7 to be VF4" +mp-1101190,VF4,-6.308277571,-2.962313183,0.039659406,0.0207288842,GGA+U,P2_1/c,A4B_mP20_14_4e_e:F-V,20.0,"Invalid WP multiplicities - A4B_mP20_14_13e_e:F-V, expected VF13 to be VF4" +mp-1101193,VF4,-6.2948057325,-2.9488413445,0.0531312445,0.0342007227,GGA+U,P2_1/c,A4B_mP20_14_4e_e:F-V,20.0,"Invalid WP multiplicities - A4B_mP20_14_15e_e:F-V, expected VF15 to be VF4" +mp-759867,VF4,-6.347936977,-3.001972589,0.0,-0.0189305218,GGA+U,C2/c,A4B_mC20_15_2f_c:F-V,10.0,"Invalid WP multiplicities - A4B_mC20_15_5f_a:F-V, expected VF10 to be VF4" +mp-757410,VF4,-6.295233693,-2.949269305,0.052703284,0.0337727622,GGA+U,C2/c,A4B_mC20_15_2f_e:F-V,10.0,"Invalid WP multiplicities - A4B_mC20_15_6f_e:F-V, expected VF12 to be VF4" +mp-759937,VF4,-6.298605335,-2.952640947,0.049331642,0.0304011202,GGA+U,Pna2_1,A4B_oP40_33_8a_2a:F-V,40.0,"Invalid WP multiplicities - A4B_oP40_33_29a_5a:F-V, expected V5F29 to be VF4" +mp-1388402,VF4,-6.002925566,-2.656961178,0.345011411,0.3260808892,GGA+U,Ima2,A4B_oI20_46_2c_b:F-V,10.0,A4B_tI20_140_l_d:F-V +mp-757234,VF4,-6.340772617,-2.994808229,0.00716436,-0.0117661618,GGA+U,Pmna,A4B_oP10_53_gh_a:F-V,10.0,"Invalid WP multiplicities - A4B_oP10_53_2g3h_a:F-V, expected VF10 to be VF4" +mp-752887,VF4,-6.31210653,-2.966142142,0.035830447,0.0168999252,GGA+U,Pbam,A4B_oP10_55_gh_a:F-V,10.0,"Invalid WP multiplicities - A4B_oP10_55_2gh_a:F-V, expected VF6 to be VF4" +mp-760249,VF4,-6.3447015832,-2.9987371952,0.0032353938,-0.0156951281,GGA+U,Pnma,A4B_oP40_62_2c3d_d:F-V,40.0,"Invalid WP multiplicities - A4B_oP40_62_8c9d_d:F-V, expected VF13 to be VF4" +mp-759340,VF4,-6.333927994,-2.987963606,0.014008983,-0.0049215388,GGA+U,Pnma,A4B_oP40_62_2c3d_d:F-V,40.0,"Invalid WP multiplicities - A4B_oP40_62_8c9d_d:F-V, expected VF13 to be VF4" +mp-753759,VF4,-6.308287788,-2.9623234,0.039649189,0.0207186672,GGA+U,Cmmm,A4B_oC10_65_gj_a:F-V,5.0,"Invalid WP multiplicities - A4B_oC10_65_2gj_a:F-V, expected VF6 to be VF4" +mp-765724,VF4,-6.3072398523,-2.9612754643,0.0406971247,0.0217666028,GGA+U,R-3,A4B_hR90_148_4f_f:F-V,30.0,"Invalid WP multiplicities - A4B_hR90_148_19f_f:F-V, expected VF19 to be VF4" +mp-760218,V2F7,-6.5189347342,-3.0135830772,0.0871649786,0.0862033275,GGA+U,P2_1,A7B2_mP36_4_14a_4a:F-V,36.0,"Invalid WP multiplicities - A7B2_mP36_4_27a_7a:F-V, expected V7F27 to be V2F7" +mp-759957,V2F7,-6.6060997128,-3.1007480558,0.0,-0.0009616511,GGA+U,Imma,A7B2_oI36_74_ehj_ac:F-V,18.0,"Invalid WP multiplicities - A7B2_oI36_74_2e4h3j_ac:F-V, expected VF11 to be V2F7" +mp-768262,V3F10,-6.5981900119,-3.0315355592,0.1065373023,0.1065373023,GGA+U,Pc,A10B3_mP26_7_10a_3a:F-V,26.0,"Invalid WP multiplicities - A10B3_mP26_7_16a_6a:F-V, expected V3F8 to be V3F10" +mp-1101191,V3F10,-6.6339129354,-3.0672584827,0.0708143788,0.0708143788,GGA+U,P222_1,A10B3_oP26_17_ac4e_2ab:F-V,26.0,"Invalid WP multiplicities - A10B3_oP26_17_2ac7e_3a2b:F-V, expected V5F17 to be V3F10" +mp-765637,V3F10,-6.6119446638,-3.0452902112,0.0927826504,0.0927826504,GGA+U,Pmma,A10B3_oP26_51_aejkl_cg:F-V,26.0,"Invalid WP multiplicities - A10B3_oP26_51_2aej2k2l_2cg:F-V, expected V4F17 to be V3F10" +mp-29759,VXe2F17,-3.4854219097,-1.4028520669,0.0,-0.0039822542,GGA+U,P2_1/c,A17BC2_mP80_14_17e_e_2e:F-V-Xe,80.0,A17BC2_mP80_14_17e_e_2e:F-V-Xe +mp-1187787,V3F,-6.68491886,0.6058804344000001,1.7308627287,1.7308627287,GGA+U,I4/mmm,AB3_tI8_139_a_bd:F-V,4.0,AB3_tI8_139_a_bd:F-V +mp-760030,V5F11,-7.1328722586,-2.9800098216,0.0754681858,0.0754681858,GGA+U,P2_1/c,A11B5_mP64_14_11e_5e:F-V,64.0,"Invalid WP multiplicities - A11B5_mP64_14_43e_19e:F-V, expected V19F43 to be V5F11" +mp-1178903,VF3,-6.923653165,-3.2190674219,0.0029862525,-0.1435181837,GGA+U,C2/c,A3B_mC16_15_ef_c:F-V,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_a:F-V, expected VF8 to be VF3" +mp-759097,VF3,-6.9172052213,-3.2126194781,0.0094341962,-0.13707024,GGA+U,Pnma,A3B_oP16_62_cd_a:F-V,16.0,"Invalid WP multiplicities - A3B_oP16_62_3c2d_a:F-V, expected VF7 to be VF3" +mp-765663,VF3,-6.8752151225,-3.1706293794,0.051424295,-0.0950801412,GGA+U,P4_2/mnm,A3B_tP16_136_fj_e:F-V,16.0,"Invalid WP multiplicities - A3B_tP16_136_3f2j_e:F-V, expected VF7 to be VF3" +mp-559931,VF3,-6.9266394175,-3.2220536744,0.0,-0.1465044362,GGA+U,R-3c,A3B_hR24_167_e_b:F-V,8.0,A3B_hR24_167_e_b:F-V +mp-752907,VF5,-5.9094988154,-2.8026153308,0.0038677533,-0.205848969,GGA+U,P2_1,A5B_mP24_4_10a_2a:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_4_19a_3a:F-V, expected V3F19 to be VF5" +mp-757128,VF5,-5.8760834917,-2.7692000071,0.0372830771,-0.1724336452,GGA+U,Cc,A5B_mC24_9_5a_a:F-V,12.0,"Invalid WP multiplicities - A5B_mC24_9_10a_a:F-V, expected VF10 to be VF5" +mp-752600,VF5,-5.8558224467,-2.7489389621,0.0575441221,-0.1521726002,GGA+U,Cc,A5B_mC24_9_5a_a:F-V,12.0,"Invalid WP multiplicities - A5B_mC24_15_2e6f_c:F-V, expected VF14 to be VF5" +mp-27309,VF5,-5.9133665687,-2.8064830842,0.0,-0.2097167223,GGA+U,Pnma,A5B_oP48_62_4c3d_2c:F-V,48.0,A5B_oP48_62_4c3d_2c:F-V +mp-760320,VF5,-5.9005020458,-2.7936185613,0.0128645229,-0.1968521994,GGA+U,P2_1/c,A5B_mP48_14_10e_2e:F-V,48.0,"Invalid WP multiplicities - A5B_mP48_14_39e_3e:F-V, expected VF13 to be VF5" +mp-760312,VF5,-5.9078953602,-2.8010118756,0.0054712085,-0.2042455138,GGA+U,P2_1/c,A5B_mP48_14_10e_2e:F-V,48.0,"Invalid WP multiplicities - A5B_mP48_14_37e_7e:F-V, expected V7F37 to be VF5" +mp-760250,VF5,-5.906631556,-2.7997480715,0.0067350127,-0.2029817096,GGA+U,P2_1/c,A5B_mP48_14_10e_2e:F-V,48.0,"Invalid WP multiplicities - A5B_mP48_14_39e_5e:F-V, expected V5F39 to be VF5" +mp-757854,VF5,-5.8295049779,-2.7226214933,0.0838615908,-0.1258551315,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_19e_e:F-V, expected VF19 to be VF5" +mp-753449,VF5,-5.9040614312,-2.7971779467,0.0093051375,-0.2004115848,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_17e_e:F-V, expected VF17 to be VF5" +mp-753265,VF5,-5.8818051721,-2.7749216875,0.0315613967,-0.1781553256,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_19e_e:F-V, expected VF19 to be VF5" +mp-765600,VF5,-5.8993899383,-2.7925064538,0.0139766304,-0.1957400919,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_19e_e:F-V, expected VF19 to be VF5" +mp-765624,VF5,-5.879587225,-2.7727037404,0.0337793437,-0.1759373785,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_9e_e:F-V, expected VF9 to be VF5" +mp-1101189,VF5,-5.8559733092,-2.7490898246,0.0573932596,-0.1523234627,GGA+U,P2_1/c,A5B_mP24_14_5e_ab:F-V,24.0,"Invalid WP multiplicities - A5B_mP24_14_19e_ad:F-V, expected VF19 to be VF5" +mp-1443442,VF5,-5.8480002692,-2.7411167846,0.0653662996,-0.1443504227,GGA+U,C2/c,A5B_mC24_15_e2f_a:F-V,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_c:F-V, expected VF7 to be VF5" +mp-752912,VF5,-5.8316702692,-2.7247867846,0.0816962996,-0.1280204227,GGA+U,C2/c,A5B_mC24_15_e2f_e:F-V,12.0,"Invalid WP multiplicities - A5B_mC24_15_2e7f_e:F-V, expected VF16 to be VF5" +mp-765621,VF5,-5.9065531196,-2.799669635,0.0068134492,-0.2029032731,GGA+U,P2_12_12_1,A5B_oP24_19_5a_a:F-V,24.0,"Invalid WP multiplicities - A5B_oP24_19_17a_a:F-V, expected VF17 to be VF5" +mp-765646,VF5,-5.8315244508,-2.7246409663,0.0818421179,-0.1278746044,GGA+U,Pnma,A5B_oP24_62_3cd_c:F-V,24.0,"Invalid WP multiplicities - A5B_oP24_62_9c4d_c:F-V, expected VF17 to be VF5" +mp-764959,VF5,-5.9036776358,-2.7967941512000003,0.0096889329,-0.2000277894,GGA+U,Pnma,A5B_oP24_62_3cd_c:F-V,24.0,"Invalid WP multiplicities - A5B_oP24_62_11c2d_c:F-V, expected VF15 to be VF5" +mp-1101210,VF5,-5.8770842033,-2.7702007188,0.0362823654,-0.1734343569,GGA+U,Pnma,A5B_oP24_62_c2d_c:F-V,24.0,"Invalid WP multiplicities - A5B_oP24_62_4c5d_c:F-V, expected VF14 to be VF5" +mp-1047795,VF5,-5.4722496442,-2.3653661596,0.4411169246,0.2314002023,GGA+U,Cmcm,A5B_oC24_63_c2f_a:F-V,12.0,"Invalid WP multiplicities - A5B_oC24_63_c3f_a:F-V, expected VF7 to be VF5" +mp-758214,VF5,-5.9036405458,-2.7967570613,0.0097260229,-0.1999906994,GGA+U,Cmce,A5B_oC48_64_d2fg_f:F-V,24.0,"Invalid WP multiplicities - A5B_oC48_64_4d7f4g_f:F-V, expected VF19 to be VF5" +mp-756640,VF5,-5.8827205942,-2.7758371096000003,0.0306459746,-0.1790707477,GGA+U,P4/n,A5B_tP12_85_cg_c:F-V,12.0,"Invalid WP multiplicities - A5B_tP12_85_2c2g_c:F-V, expected VF10 to be VF5" +mp-1188833,Y(ReB)4,-9.4117215106,-0.1937051843,0.2064380279,0.2064380279,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Re-Y,18.0,A4B4C_tP18_137_g_g_a:B-Re-Y +mp-865727,YReB4,-8.1836904112,-0.5789295143000001,0.0,-0.0099135858,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Re-Y,24.0,A4BC_oP24_55_4h_g_g:B-Re-Y +mp-2203,YB6,-7.04854045,-0.399565916,0.0285228293,0.0285228293,GGA,Pm-3m,A6B_cP7_221_e_b:B-Y,7.0,A6B_cP7_221_e_b:B-Y +mp-504560,Y2ReB6,-7.8887179744,-0.6160713037000001,0.0,-0.0229620088,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Re-Y,36.0,A6BC2_oP36_55_6h_g_2g:B-Re-Y +mp-1542,YB2,-7.1720481433,-0.5636299250000001,0.0,-0.0738773011,GGA,P6/mmm,A2B_hP3_191_c_b:B-Y,3.0,A2B_hP3_191_c_b:B-Y +mp-637,YB4,-7.224510788,-0.5877031487000001,0.0,-0.13891803,GGA,P4/mbm,A4B_tP20_127_egi_h:B-Y,20.0,"Invalid WP multiplicities - A4B_tP20_127_eg2i_h:B-Y, expected YB6 to be YB4" +mp-7817,YB12,-6.9069315385,-0.2439182797,0.0,-0.0178786072,GGA,Fm-3m,A12B_cF52_225_h_b:B-Y,13.0,A12B_cF52_225_h_b:B-Y +mp-7625,Y3ReB7,-7.7513653232,-0.6059396031000001,0.0,-0.0250226376,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Re-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c4f_c_c2f:B-Re-Y, expected Y5ReB9 to be Y3ReB7" +mp-569002,Y3ReB7,-7.4778284773,-0.3324027572,0.2735368459,0.2485142083,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Re-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_2c12f_c_2c3f:B-Re-Y, expected Y8ReB26 to be Y3ReB7" +mp-1113,BW2,-11.1270809533,-0.2618635431,0.0,-0.0167468058,GGA,I4/mcm,AB2_tI12_140_a_h:B-W,6.0,AB2_tI12_140_a_h:B-W +mp-1008487,BW,-10.1749568475,-0.3561958471,0.0114792587,-0.0587924592,GGA,Cmcm,AB_oC8_63_c_c:B-W,4.0,AB_oC8_63_c_c:B-W +mp-7832,BW,-10.1864361062,-0.3676751058,0.0,-0.0702717179,GGA,I4_1/amd,AB_tI16_141_e_e:B-W,8.0,AB_tI16_141_e_e:B-W +mp-1001602,B12W,-6.95684134,0.2055303123,0.282363366,0.282363366,GGA,Fm-3m,A12B_cF52_225_h_b:B-W,13.0,A12B_cF52_225_h_b:B-W +mp-1205418,B4W,-7.433926916,0.5012125467,0.7009784863,0.7009784863,GGA,P4/mbm,A4B_tP20_127_egi_h:B-W,20.0,A4B_tP20_127_egi_h:B-W +mp-29651,B4W,-7.534061755,0.4010777077,0.6008436473000001,0.6008436473000001,GGA,P6_3/mmc,A4B_hP20_194_fi_bc:B-W,20.0,A4B_hP20_194_fi_bc:B-W +mp-10144,B2W,-8.8477374633,-0.0754328728,0.25751036,0.1696838644,GGA,P6/mmm,A2B_hP3_191_c_b:B-W,3.0,A2B_hP3_191_c_b:B-W +mp-569803,B2W,-9.1052478233,-0.3329432328,0.0,-0.0878264956,GGA,P6_3/mmc,A2B_hP12_194_bcf_f:B-W,12.0,A2B_hP12_194_bcf_f:B-W +mp-1191218,PuB4W,-9.4890748008,-0.4984855269,0.0,-0.0601324791,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Pu-W,24.0,A4BC_oP24_55_4h_g_g:B-Pu-W +mp-8079,B5W2,-8.2244069286,0.2489101163,0.5342900301,0.5342900301,GGA,R-3m,A5B2_hR21_166_a2c_c:B-W,7.0,"Invalid WP multiplicities - A5B2_hR21_166_a3c_c:B-W, expected B7W2 to be B5W2" +mp-570938,B5W2,-8.2097186779,0.263598367,0.5489782808,0.5489782808,GGA,P6_3/mmc,A5B2_hP14_194_abcf_f:B-W,14.0,"Invalid WP multiplicities - A5B2_hP14_194_2a2b2c3f_f:B-W, expected B6W to be B5W2" +mp-1104054,Y(Ni2P)2,-6.5991291214,-0.8257544290000001,0.0,-0.0221094495,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-Y,14.0,A4B2C_tP14_136_i_f_a:Ni-P-Y +mp-541124,Y6Ni20P13,-6.6762193359,-0.9127708009,0.0,-0.0216147739,GGA,P-6,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Y,39.0,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Y +mp-1208729,Y15(Ni4P3)7,-6.8796596938,-1.0590308441,0.0,-0.0157336587,GGA,P6_3/m,A28B21C15_hP128_176_c9h_7h_5h:Ni-P-Y,128.0,A28B21C15_hP128_176_c9h_7h_5h:Ni-P-Y +mp-1191078,Y2Ni12P7,-6.4910009895,-0.7677771832,0.0,-0.0208844656,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Y,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Y +mp-1102805,YNiP,-6.5900384958,-0.7034017292,0.5169162408,0.4469788234,GGA,Cmcm,ABC_oC24_63_ac_f_f:Ni-P-Y,12.0,ABC_oC24_63_ac_f_f:Ni-P-Y +mp-1102854,YNiP,-7.1069547367,-1.22031797,0.0,-0.0699374175,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ni-P-Y,12.0,ABC_hP12_194_f_f_ab:Ni-P-Y +mp-961657,YNiP,-6.80715355,-0.9205167833,0.2998011867,0.2298637692,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-P-Y,3.0,ABC_cF12_216_c_a_b:Ni-P-Y +mp-568940,Y(NiP)2,-6.78011452,-1.0094446227,0.0,-0.0261029186,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Y,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Y +mp-1212974,ErSI,-5.1239458467,-1.731434171,0.3234593437,0.3234593437,GGA,P-6m2,ABC_hP3_187_a_d_e:Er-I-S,3.0,ABC_hP3_187_a_d_e:Er-I-S +mp-1077922,Tl2Rh3S2,-5.4680581643,-0.4550425018,0.0,-0.0365808317,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Rh-S-Tl,7.0,A3B2C2_hR21_166_d_c_ab:Rh-S-Tl +mp-1202662,Sc2Si4W3,-8.699499765,-0.5616552072000001,0.0,-0.0901316494,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Sc-Si-W,36.0,A2B4C3_oP36_62_d_2cd_cd:Sc-Si-W +mp-1004526,WS,-8.981557125,-0.4342670766,0.4312107525,0.4312107525,GGA,P6_3mc,AB_hP4_186_b_b:S-W,4.0,AB_hP4_186_b_b:S-W +mp-1042100,WS2,-7.4780372433,-0.4010272554,0.7529431833,-0.111515871,GGA,I-42d,A2B_tI12_122_d_a:S-W,6.0,A2B_tI12_122_d_a:S-W +mp-9813,WS2,-8.2309804267,-1.1539704387,0.0,-0.8644590544,GGA,R3m,A2B_hR9_160_2a_a:S-W,3.0,A2B_hR9_160_2a_a:S-W +mp-1028441,WS2,-8.23018811,-1.1531781221,0.0007923167,-0.8636667377,GGA,P-3m1,A2B_hP12_164_4d_2d:S-W,12.0,"Invalid WP multiplicities - A2B_hP12_164_7d_3d:S-W, expected W3S7 to be WS2" +mp-1023925,WS2,-8.2298070583,-1.1527970704,0.0011733683,-0.8632856860000001,GGA,P-3m1,A2B_hP6_164_2d_d:S-W,6.0,"Invalid WP multiplicities - A2B_hP6_164_3d_d:S-W, expected WS3 to be WS2" +mp-1023937,WS2,-8.22902892,-1.1520189321,0.0019515067,-0.8625075477,GGA,P-6m2,A2B_hP3_187_h_a:S-W,3.0,A2B_hP3_187_h_a:S-W +mp-1025571,WS2,-8.2300470956,-1.1530371076,0.0009333311,-0.8635257233,GGA,P-6m2,A2B_hP9_187_2gh_ah:S-W,9.0,"Invalid WP multiplicities - A2B_hP9_187_4g2h_ah:S-W, expected WS4 to be WS2" +mp-224,WS2,-8.2307549267,-1.1537449387,0.0002254999999999,-0.8642335544,GGA,P6_3/mmc,A2B_hP6_194_f_c:S-W,6.0,A2B_hP6_194_f_c:S-W +mp-1220455,NbW3S8,-8.0292641,-1.1903228779,0.0124480604,0.0124480604,GGA,Pmm2,AB8C3_oP12_25_a_2e2f_bcd:Nb-S-W,12.0,"Invalid WP multiplicities - AB8C3_oP12_25_a_4e4f_bcd:Nb-S-W, expected NbW3S16 to be NbW3S8" +mp-1220620,Nb3WS8,-7.6452411325,-1.2824374421,0.0179344954,0.0179344954,GGA,R3m,A3B8C_hR36_160_3a_8a_a:Nb-S-W,12.0,A3B8C_hR36_160_3a_8a_a:Nb-S-W +mp-1207867,W21S8,-10.4546774607,0.0698857726,0.5473907817,0.5473907817,GGA,I4/m,A8B21_tI58_87_2h_a5h:S-W,,A8B21_tI58_87_2h_a5h:S-W +mp-1199451,B2S3,-5.8889910276,-0.7353643991000001,0.0,-0.0787231163,GGA,I4_1/a,A2B3_tI500_88_e12f_ae18f:B-S,250.0,A2B3_tI500_88_e12f_ae18f:B-S +mp-866066,B2S3,-5.784205343,-0.6305787145,0.1047856846,0.0260625683,GGA,R-3c,A2B3_hR30_167_c_e:B-S,10.0,A2B3_hR30_167_c_e:B-S +mp-540668,BS2,-5.7136985935,-0.7296014253,0.0,-0.1167977594,GGA,P2_1/c,AB2_mP48_14_4e_8e:B-S,48.0,AB2_mP48_14_4e_8e:B-S +mp-1200183,BS2,-5.2896617172,-0.305564549,0.4240368763,0.3072391169,GGA,P2_1/c,AB2_mP36_14_3e_6e:B-S,36.0,AB2_mP36_14_3e_6e:B-S +mp-1228640,B12S,-6.5025185123,-0.0187376572,0.0755398299,0.0755398299,GGA,R3m,A12B_hR39_160_4b_a:B-S,13.0,A12B_hR39_160_4b_a:B-S +mp-555170,B12S,-6.1665955246,0.3171853305,0.4114628176,0.4114628176,GGA,R-3m,A12B_hR39_166_2h_a:B-S,13.0,"Invalid WP multiplicities - A12B_hR39_166_8h_a:B-S, expected B48S to be B12S" +mp-1229225,Ag5BS4,-3.849457436,-0.1106603105,0.2447393974,0.2447393974,GGA,F-43m,A5BC4_cF80_216_ef_ac_2e:Ag-B-S,20.0,A5BC4_cF80_216_ef_ac_2e:Ag-B-S +mp-1006118,P2S7,-4.9293580128,-0.5091631148,0.0028504628,-0.1052639335,GGA,P-1,A2B7_aP18_2_2i_7i:P-S,18.0,"Invalid WP multiplicities - A2B7_aP18_2_3i_13i:P-S, expected P3S13 to be P2S7" +mp-1199938,P2S7,-4.9322084756,-0.5120135776,0.0,-0.1081143962,GGA,P2_1/c,A2B7_mP36_14_2e_7e:P-S,36.0,A2B7_mP36_14_2e_7e:P-S +mp-542630,P4S9,-5.0466391075,-0.5173115053,0.0,-0.0038397396,GGA,P2_1/c,A4B9_mP52_14_4e_9e:P-S,52.0,A4B9_mP52_14_4e_9e:P-S +mp-579224,P4S9,-5.0454110524,-0.5160834502,0.0012280551,-0.0026116845,GGA,Ia-3,A4B9_cI208_206_ce_3e:P-S,104.0,"Invalid WP multiplicities - A4B9_cI208_206_7c8e_45e:P-S, expected P31S135 to be P4S9" +mp-690,P4S5,-5.1451464261,-0.4412064971,0.0042710663,0.0042710663,GGA,P2_1,A4B5_mP18_4_4a_5a:P-S,18.0,A4B5_mP18_4_4a_5a:P-S +mp-7260,P4S5,-5.1324151628,-0.4284752338,0.0170023297,0.0170023297,GGA,P2_1/m,A4B5_mP18_11_2ef_e2f:P-S,18.0,A4B5_mP18_11_2ef_e2f:P-S +mp-612,PS,-5.1637512187,-0.388875032,0.0200540854,0.0200540854,GGA,C2/c,AB_mC32_15_2f_2ef:P-S,16.0,AB_mC32_15_2f_2ef:P-S +mp-30287,LuPS4,-5.7633938542,-1.3500517718,0.0,-0.0683650458,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Lu-P-S,24.0,ABC4_mP24_14_e_e_4e:Lu-P-S +mp-1220021,P2S,-4.9108085033,0.0768764567,0.3583839908,0.3583839908,GGA,I4_1/amd,A2B_tI12_141_c_b:P-S,6.0,A2B_tI12_141_c_b:P-S +mp-1189177,P2S3,-5.100835493,-0.4536445702,0.0210717501,0.0210717501,GGA,P2_1/m,A2B3_mP20_11_2ef_2e2f:P-S,20.0,A2B3_mP20_11_2ef_2e2f:P-S +mp-29014,P2S3,-5.1119337048,-0.464742782,0.0099735383,0.0099735383,GGA,P2_1/c,A2B3_mP40_14_4e_6e:P-S,40.0,A2B3_mP40_14_4e_6e:P-S +mp-1147714,P2S3,-5.0963785025,-0.4491875797,0.0255287406,0.0255287406,GGA,P2_1/c,A2B3_mP20_14_2e_3e:P-S,20.0,A2B3_mP20_14_2e_3e:P-S +mp-1147708,P2S3,-5.095245459,-0.4480545362,0.0266617841,0.0266617841,GGA,Pmn2_1,A2B3_oP10_31_b_ab:P-S,10.0,A2B3_oP10_31_b_ab:P-S +mp-2650,P4S7,-5.0993988573,-0.4986389396,0.0,-0.0124613012,GGA,P2_1/c,A4B7_mP44_14_4e_7e:P-S,44.0,A4B7_mP44_14_4e_7e:P-S +mp-1468,P4S3,-5.2280182048,-0.3619382581,0.0,-0.0215789603,GGA,Pnma,A4B3_oP56_62_4c2d_2c2d:P-S,56.0,A4B3_oP56_62_4c2d_2c2d:P-S +mp-1469,P4S3,-5.2278382975,-0.3617583507,0.0001799073,-0.021399053,GGA,Pnma,A4B3_oP28_62_2cd_cd:P-S,28.0,"Invalid WP multiplicities - A4B3_oP28_62_2c2d_cd:P-S, expected P2S to be P4S3" +mp-541788,P2S5,-5.0205638543,-0.5192989475,0.0,-0.0033497664,GGA,P-1,A2B5_aP28_2_4i_10i:P-S,28.0,A2B5_aP28_2_4i_10i:P-S +mp-684989,W9C4,-11.8135584746,-0.0029558562,0.0719347738,0.0719347738,GGA,R32,A4B9_hR78_155_abde_3f:C-W,26.0,"Invalid WP multiplicities - A4B9_hR78_155_ab2d3e_9f:C-W, expected W54C17 to be W9C4" +mp-33065,W2C,-11.7253379267,-0.0103626092,0.0707689067,0.0707689067,GGA,Pnnm,AB2_oP6_58_a_g:C-W,6.0,AB2_oP6_58_a_g:C-W +mp-2034,W2C,-11.7306571142,-0.0156817967,0.0654497192,0.0654497192,GGA,Pbcn,AB2_oP12_60_c_d:C-W,12.0,AB2_oP12_60_c_d:C-W +mp-567397,W2C,-11.7128225567,0.0021527608,0.0832842767,0.0832842767,GGA,P-31m,AB2_hP9_162_ad_k:C-W,9.0,AB2_hP9_162_ad_k:C-W +mp-1008625,W2C,-11.6592096567,0.0557656608,0.1368971767,0.1368971767,GGA,P-3m1,AB2_hP3_164_a_d:C-W,3.0,AB2_hP3_164_a_d:C-W +mp-1894,WC,-11.215095135,-0.1216972737,0.0,-0.1099359263,GGA,P-6m2,AB_hP2_187_a_d:C-W,2.0,AB_hP2_187_a_d:C-W +mp-1008635,WC,-10.542218305,0.5511795563,0.67287683,0.5629409037,GGA,F-43m,AB_cF8_216_a_c:C-W,2.0,AB_cF8_216_a_c:C-W +mp-1008630,WC,-10.316096385,0.7773014763,0.8989987500000001,0.7890628237,GGA,Pm-3m,AB_cP2_221_a_b:C-W,2.0,AB_cP2_221_a_b:C-W +mp-13136,WC,-10.767434625,0.3259632363,0.44766051,0.3377245837,GGA,Fm-3m,AB_cF8_225_a_b:C-W,2.0,AB_cF8_225_a_b:C-W +mp-979413,W3C,-10.755945945,1.2698181006,1.3306667375,1.3306667375,GGA,I4/mmm,AB3_tI8_139_a_bd:C-W,4.0,AB3_tI8_139_a_bd:C-W +mp-1017062,Mg6WC,-3.4221225381,0.5514369647,0.5818612831000001,0.5818612831000001,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-W, expected Mg12WC to be Mg6WC" +mp-1017054,Mg6WC,-3.1494178213,0.8241416816,0.8545659999999999,0.8545659999999999,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-W, expected Mg12WC to be Mg6WC" +mp-1026733,Mg14WC,-2.5922361394,0.194683637,0.2098957962,0.2098957962,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-W, expected Mg18WC to be Mg14WC" +mp-1026458,Mg14WC,-2.393642305,0.3932774714,0.4084896306,0.4084896306,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-W, expected Mg26WC to be Mg14WC" +mp-1219510,Ru3W3C2,-10.1834356112,0.4609305506,0.5565246713,0.5565246713,GGA,P-3m1,A2B3C3_hP8_164_d_ad_bd:C-Ru-W,8.0,"Invalid WP multiplicities - A2B3C3_hP8_164_d_a2d_b2d:C-Ru-W, expected Ru5W5C2 to be Ru3W3C2" +mp-28321,Sc7CI12,-4.9505172515,-1.3886999801,0.0,-0.0452592794,GGA,R3,AB12C7_hR60_146_a_4b_a2b:C-I-Sc,20.0,"Invalid WP multiplicities - AB12C7_hR60_146_a_5b_a2b:C-I-Sc, expected Sc7CI15 to be Sc7CI12" +mp-541102,Sc6C2I11,-5.204011285,-1.3798441553,0.0,-0.0312710553,GGA,P-1,A2B11C6_aP38_2_2i_11i_6i:C-I-Sc,38.0,A2B11C6_aP38_2_2i_11i_6i:C-I-Sc +mp-1214237,CI2,-3.80280369,0.2556623742,0.2556623742,0.2556623742,GGA,P2_1/c,AB2_mP24_14_2e_4e:C-I,24.0,AB2_mP24_14_2e_4e:C-I +mp-27962,CI4,-2.835952014,0.1884741645,0.1884741645,0.1884741645,GGA,I-42m,AB4_tI10_121_a_i:C-I,5.0,AB4_tI10_121_a_i:C-I +mp-504934,Sc2CI3,-5.6529395265,-1.267322401,0.0,-0.0188734357,GGA,P-1,AB3C2_aP48_2_4i_12i_8i:C-I-Sc,48.0,AB3C2_aP48_2_4i_12i_8i:C-I-Sc +mp-2625,U2C3,-10.1773794285,-0.123616129,0.0,-0.0074262165,GGA,I-43d,A3B2_cI40_220_d_c:C-U,20.0,A3B2_cI40_220_d_c:C-U +mp-2489,UC,-10.383845765,-0.1238080138,0.0,-0.0207945729,GGA,Fm-3m,AB_cF8_225_a_b:C-U,2.0,AB_cF8_225_a_b:C-U +mp-972103,U3C,-10.3154906175,0.4602332631,0.52213727,0.52213727,GGA,Pm-3m,AB3_cP4_221_a_c:C-U,4.0,AB3_cP4_221_a_c:C-U +mp-1068685,U2PtC2,-9.750877892,-0.328621027,0.0,-0.0324110512,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Pt-U,5.0,A2BC2_tI10_139_e_a_e:C-Pt-U +mp-2486,UC2,-10.0273581767,-0.1111111783,0.0,-0.0080977375,GGA,I4/mmm,A2B_tI6_139_e_a:C-U,3.0,A2B_tI6_139_e_a:C-U +mp-1102444,UC2,-9.73752323,0.1787237683,0.2898349467,0.2817372092,GGA,Pa-3,A2B_cP12_205_c_a:C-U,12.0,A2B_cP12_205_c_a:C-U +mp-1008642,UC2,-9.3799215667,0.5363254317,0.64743661,0.6393388725,GGA,Fm-3m,A2B_cF12_225_c_a:C-U,3.0,A2B_cF12_225_c_a:C-U +mp-1201082,Y15C19,-8.31721933,-0.3071690048,0.0153435811,0.0153435811,GGA,P-42_1c,A19B15_tP68_114_ac4e_bc3e:C-Y,68.0,"Invalid WP multiplicities - A19B15_tP68_128_aegh2i_behi:C-Y, expected Y5C9 to be Y15C19" +mp-9459,Y4C5,-8.3253256289,-0.3243020827,0.0,-0.0102783824,GGA,Pbam,A5B4_oP18_55_a2h_gh:C-Y,18.0,A5B4_oP18_55_a2h_gh:C-Y +mp-9530,Y4C7,-8.5006671036,-0.2764359308,0.0032726189,-0.0086454233,GGA,P2_1/c,A7B4_mP22_14_a3e_2e:C-Y,22.0,"Invalid WP multiplicities - A7B4_mP22_14_a4e_2e:C-Y, expected Y4C9 to be Y4C7" +mp-1200885,Y4C7,-8.5039397225,-0.2797085497,0.0,-0.0119180422,GGA,P2_1/c,A7B4_mP44_14_7e_4e:C-Y,44.0,A7B4_mP44_14_7e_4e:C-Y +mp-10608,Y3SnC,-7.185252328,-0.6577221905,0.0,-0.104349004,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Sn-Y,5.0,ABC3_cP5_221_b_a_c:C-Sn-Y +mp-1334,Y2C,-7.6790147033,-0.2918121303,0.0,-0.0972308807,GGA,R-3m,AB2_hR9_166_a_c:C-Y,3.0,AB2_hR9_166_a_c:C-Y +mp-313,YC2,-8.4958107333,-0.1878767006,0.0685228033,0.0685228033,GGA,I4/mmm,A2B_tI6_139_e_a:C-Y,3.0,A2B_tI6_139_e_a:C-Y +mp-1695,Y2C3,-8.379306053,-0.2555183122,0.0442951847,0.0442951847,GGA,I-43d,A3B2_cI40_220_d_c:C-Y,20.0,A3B2_cI40_220_d_c:C-Y +mp-1200613,Y3C4,-8.3604781424,-0.315610241,0.0,-6.76023e-05,GGA,P4/mnc,A4B3_tP70_128_2eghi_aehi:C-Y,70.0,A4B3_tP70_128_2eghi_aehi:C-Y +mp-1207665,YC,-3.8713388925,3.9762294104,4.292409005,4.292409005,GGA,P2_1,AB_mP4_4_a_a:C-Y,4.0,AB_mP4_4_a_a:C-Y +mp-998894,YC,-7.3531637,0.4944046029,0.8105841975,0.8105841975,GGA,F-43m,AB_cF8_216_a_c:C-Y,2.0,AB_cF8_216_a_c:C-Y +mp-998896,YC,-7.27484979,0.5727185129,0.8888981075,0.8888981075,GGA,Pm-3m,AB_cP2_221_a_b:C-Y,2.0,AB_cP2_221_a_b:C-Y +mp-998893,YC,-7.80315309,0.0444152129,0.3605948075,0.3605948075,GGA,Fm-3m,AB_cF8_225_a_b:C-Y,2.0,AB_cF8_225_a_b:C-Y +mp-676180,U4Be2C5,-9.0669002127,-0.086191737,0.0669333055,0.0669333055,GGA,C2/m,A2B5C4_mC22_12_i_aj_j:Be-C-U,11.0,A2B5C4_mC22_12_i_aj_j:Be-C-U +mp-1173090,U4Be2C5,-8.7530936082,0.2276148675,0.38073991,0.38073991,GGA,Cmmm,A2B5C4_oC22_65_ac_bgh_gh:Be-C-U,11.0,"Invalid WP multiplicities - A2B5C4_oC22_65_ac_b2g2h_2gh:Be-C-U, expected U6Be2C9 to be U4Be2C5" +mp-1001023,BeC2,-6.5512434083,0.8476712083,0.9633231012,0.9633231012,GGA,P4_2/mnm,AB2_tP6_136_a_f:Be-C,6.0,AB2_tP6_136_a_f:Be-C +mp-1214195,BeC2,-6.3874569892,1.0114576275,1.1271095204,1.1271095204,GGA,Pn-3m,AB2_cP12_224_b_e:Be-C,12.0,AB2_cP12_224_b_e:Be-C +mp-1569,Be2C,-5.8004675267,-0.2313037858,0.0,-0.2313037858,GGA,Fm-3m,A2B_cF12_225_c_a:Be-C,3.0,A2B_cF12_225_c_a:Be-C +mp-534,B13N2,-7.15454644,-0.2542075819,0.1354937593,0.1354937593,GGA,R-3m,A13B2_hR45_166_a2h_c:B-N,15.0,A13B2_hR45_166_a2h_c:B-N +mp-1079812,B9N,-4.610543408,2.2345586783,2.5268346842,2.5268346842,GGA,I4/mmm,A9B_tI20_139_agi_b:B-N,10.0,A9B_tI20_139_agi_b:B-N +mp-714851,BN,-8.87114121,-1.3631978621,0.0981821675,-1.2165396417,GGA,P1,AB_aP2_1_a_a:B-N,2.0,AB_oF8_42_a_a:B-N +mp-1244872,BN,-8.3277822976,-0.8198389497,0.6415410799,-0.6731807293000001,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1244917,BN,-8.0531312397,-0.5451878918,0.9161921378,-0.3985296714,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1244943,BN,-8.3125942095,-0.8046508616,0.656729168,-0.6579926412,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1244991,BN,-8.2264401057,-0.7184967578,0.7428832718,-0.5718385374,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245193,BN,-8.1530068721,-0.6450635242,0.8163165054,-0.4984053038,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245228,BN,-8.3031453901,-0.7952020422,0.6661779874,-0.6485438218,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245231,BN,-8.3101235476,-0.8021801997,0.6591998299,-0.6555219793,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245281,BN,-8.1340133841,-0.6260700362,0.8353099934,-0.4794118158,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245297,BN,-8.1438745788,-0.6359312309,0.8254487987,-0.4892730105,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1245301,BN,-8.347971492,-0.8400281441,0.6213518855,-0.6933699237000001,GGA,P1,AB_aP100_1_50a_50a:B-N,100.0,AB_aP100_1_50a_50a:B-N +mp-1599,BN,-8.8313738138,-1.3234304658,0.1379495638,-1.1767722455,GGA,Cm,AB_mC16_8_4a_4a:B-N,8.0,AB_mC16_8_4a_4a:B-N +mp-344,BN,-8.7498891375,-1.2419457896,0.21943424,-1.0952875692,GGA,Cc,AB_mC16_9_2a_2a:B-N,8.0,AB_mC16_9_2a_2a:B-N +mp-569655,BN,-8.648155755,-1.1402124071,0.3211676225,-0.9935541867,GGA,P2_1/c,AB_mP8_14_e_e:B-N,8.0,AB_mP8_14_e_e:B-N +mp-685145,BN,-8.962990615,-1.4550472671,0.0063327625,-1.3083890467,GGA,Fmm2,AB_oF8_42_a_a:B-N,2.0,AB_oF8_42_a_a:B-N +mp-1077506,BN,-8.6676011283,-1.1596577804,0.3017222492,-1.0129995601,GGA,Imm2,AB_oI12_44_ac_ac:B-N,6.0,AB_oI12_44_ac_ac:B-N +mp-644751,BN,-8.6970822025,-1.1891388546,0.272241175,-1.0424806342,GGA,Pnma,AB_oP8_62_c_c:B-N,8.0,AB_oP8_62_c_c:B-N +mp-13151,BN,-8.7901477313,-1.2822043833,0.1791756463,-1.135546163,GGA,P4_2/mnm,AB_tP8_136_f_g:B-N,8.0,AB_tP8_136_f_g:B-N +mp-1060281,BN,-8.163747695,-0.6558043471,0.8055756825,-0.5091461267,GGA,I4/mmm,AB_tI4_139_a_b:B-N,2.0,AB_tI4_139_a_b:B-N +mp-13150,BN,-8.9672859,-1.4593425521,0.0020374775,-1.3126843317,GGA,R3m,AB_hR6_160_a_a:B-N,2.0,AB_hR6_160_a_a:B-N +mp-2653,BN,-8.874619257500001,-1.3666759096,0.09470412,-1.2200176892,GGA,P6_3mc,AB_hP4_186_b_b:B-N,4.0,AB_hP4_186_b_b:B-N +mp-604884,BN,-8.9651848625,-1.4572415146,0.004138515,-1.3105832942,GGA,P-6m2,AB_hP4_187_ad_be:B-N,4.0,AB_hP4_187_ad_be:B-N +mp-7991,BN,-8.9690626475,-1.4611192996,0.00026073,-1.3144610792,GGA,P6_3/mmc,AB_hP4_194_c_b:B-N,4.0,AB_hP4_194_c_b:B-N +mp-629015,BN,-8.96576619,-1.4578228421,0.0035571875,-1.3111646217,GGA,P6_3/mmc,AB_hP4_194_b_c:B-N,4.0,AB_hP4_194_b_c:B-N +mp-601223,BN,-6.40732024,1.1006231079,2.5620031375,1.2472813283,GGA,P6_3/mmc,AB_hP4_194_c_a:B-N,4.0,AB_hP4_194_c_a:B-N +mp-984,BN,-8.9693233775,-1.4613800296,0.0,-1.3147218092,GGA,P6_3/mmc,AB_hP4_194_c_d:B-N,4.0,AB_hP4_194_c_d:B-N +mp-1639,BN,-8.89196941,-1.3840260621,0.0773539675,-1.2373678417,GGA,F-43m,AB_cF8_216_a_c:B-N,2.0,AB_cF8_216_a_c:B-N +mp-1217108,Ti4B2N3,-8.5859544967,-0.8137060096000001,0.8028528867,0.8028528867,GGA,R3m,A2B3C4_hR27_160_2a_3a_4a:B-N-Ti,9.0,A2B3C4_hR27_160_2a_3a_4a:B-N-Ti +mp-1207685,Y6RhI10,-5.0905418712,-1.50837728,0.0,-0.010159302,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Rh-Y,17.0,A10BC6_aP17_2_5i_a_3i:I-Rh-Y +mp-1183533,Ca3U,-3.6527885925,0.6742638200000001,0.6742638200000001,0.6742638200000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Ca-U,4.0,A3B_cF16_225_ac_b:Ca-U +mp-23244,UI3,-5.1077383138,-1.1798610488,0.0,-0.0637433897,GGA,Cmcm,A3B_oC16_63_cf_c:I-U,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:I-U, expected UI5 to be UI3" +mp-655360,UI4,-4.627500585,-1.190525503,0.0,-0.246636664,GGA,C2/c,A4B_mC20_15_2f_e:I-U,10.0,A4B_mC20_15_2f_e:I-U +mp-612520,UI4,-4.577356743,-1.140381661,0.050143842,-0.196492822,GGA,C2/c,A4B_mC20_15_2f_e:I-U,10.0,"Invalid WP multiplicities - A4B_mC20_15_5f_e:I-U, expected UI10 to be UI4" +mp-1213956,CaUI6,-4.1844493531,-1.4172983544,0.0498458738,0.0498458738,GGA,P-31c,AB6C_hP16_163_c_i_b:Ca-I-U,16.0,AB6C_hP16_163_c_i_b:Ca-I-U +mp-998367,YReN3,-9.546440228,-0.7623436133,0.1256800975,0.0383026637,GGA,P1,A3BC_aP5_1_3a_a_a:N-Re-Y,5.0,A3BC_aP5_1_3a_a_a:N-Re-Y +mp-989628,YReN3,-9.663290886,-0.8791942713,0.0088294395,-0.0785479943,GGA,C2/c,A3BC_mC40_15_3f_f_2e:N-Re-Y,20.0,"Invalid WP multiplicities - A3BC_mC40_15_10f_f_2e:N-Re-Y, expected YReN10 to be YReN3" +mp-989647,YReN3,-9.6721203255,-0.8880237108000001,0.0,-0.0873774338,GGA,Pnma,A3BC_oP20_62_cd_a_c:N-Re-Y,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c3d_a_c:N-Re-Y, expected YReN9 to be YReN3" +mp-989611,YReN3,-9.639656984,-0.8555603693,0.0324633415,-0.0549140923,GGA,R-3c,A3BC_hR30_167_e_b_a:N-Re-Y,10.0,A3BC_hR30_167_e_b_a:N-Re-Y +mp-998899,YN,-8.797612065,-1.3961290458,0.4712183,-1.3961290458,GGA,P-6m2,AB_hP2_187_a_d:N-Y,2.0,AB_hP2_187_a_d:N-Y +mp-1017533,YN,-8.91370529,-1.5122222708000002,0.355125075,-1.5122222708000002,GGA,P6_3/mmc,AB_hP4_194_c_a:N-Y,4.0,AB_hP4_194_c_a:N-Y +mp-6913,YN,-9.1813656425,-1.7798826233,0.0874647225,-1.7798826233,GGA,P6_3/mmc,AB_hP4_194_c_d:N-Y,4.0,AB_hP4_194_c_d:N-Y +mp-13099,YN,-9.02111913,-1.6196361108,0.247711235,-1.6196361108,GGA,F-43m,AB_cF8_216_a_c:N-Y,2.0,AB_cF8_216_a_c:N-Y +mp-13098,YN,-8.33279236,-0.9313093408,0.936038005,-0.9313093408,GGA,Pm-3m,AB_cP2_221_a_b:N-Y,2.0,AB_cP2_221_a_b:N-Y +mp-2114,YN,-9.268830365,-1.8673473458,0.0,-1.8673473458,GGA,Fm-3m,AB_cF8_225_a_b:N-Y,2.0,AB_cF8_225_a_b:N-Y +mp-1029811,Y4Te3N2,-7.5306990061,-1.7563887857,0.0122854389,0.0122854389,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-Te-Y,36.0,A2B3C4_oP36_62_d_cd_2cd:N-Te-Y +mp-1193658,Y3Te3N,-7.0498856107,-1.7404819043000002,0.0,-0.0027044368,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:N-Te-Y,28.0,AB3C3_mP28_14_e_3e_3e:N-Te-Y +mp-570813,Li2UI6,-3.9695797872,-1.3085293602,0.0,-0.0037274156,GGA,P-31c,A6B2C_hP18_163_i_ac_d:I-Li-U,18.0,A6B2C_hP18_163_i_ac_d:I-Li-U +mp-1222392,LiUI6,-3.9557133088,-1.2006469367,0.0,-0.0925599519,GGA,C2,A6BC_mC16_5_3c_a_b:I-Li-U,8.0,"Invalid WP multiplicities - A6BC_mC16_5_4c_a_b:I-Li-U, expected LiUI8 to be LiUI6" +mp-675295,InPF3,-4.407952926,-1.6280682982,0.6396171793000001,0.6396171793000001,GGA,R3,A3BC_hR15_146_b_a_a:F-In-P,5.0,A3BC_hR15_146_b_a_a:F-In-P +mp-8511,PF5,-5.4172002083,-2.9220839843,0.0,-2.9220839843,GGA,P6_3/mmc,A5B_hP12_194_fh_c:F-P,12.0,"Invalid WP multiplicities - A5B_hP12_194_f2h_c:F-P, expected PF8 to be PF5" +mp-1246032,Y2Cd3N4,-5.9276680672,-0.4779357109,0.3519964428,0.3519964428,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Cd-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Cd-N-Y +mp-1208035,U5VSb3,-8.6337904594,0.024871745,0.2610798557,0.2610798557,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Sb-U-V,18.0,A3B5C_hP18_193_g_dg_b:Sb-U-V +mp-1205406,U3VSb5,-7.4508724656,-0.3838566544,0.0,-0.0190545176,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Sb-U-V,18.0,A5B3C_hP18_193_dg_g_b:Sb-U-V +mp-1047553,YSb3F15,-5.3261430276,-2.8247925357,0.2076772543,0.2076772543,GGA,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Sb-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Sb-Y, expected YSb6F54 to be YSb3F15" +mp-2416,YF3,-7.4782015994,-4.4279745954,0.0,-4.4279745954,GGA,Pnma,A3B_oP16_62_cd_c:F-Y,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:F-Y, expected YF5 to be YF3" +mp-1191736,YF3,-7.4387857808,-4.3885587769,0.0394158185,-4.3885587769,GGA,P-3c1,A3B_hP24_165_adg_f:F-Y,24.0,A3B_hP24_165_adg_f:F-Y +mp-556242,YF3,-7.2777300742,-4.2275030702,0.2004715252,-4.2275030702,GGA,Pm-3m,A3B_cP12_221_ag_d:F-Y,12.0,"Invalid WP multiplicities - A3B_cP12_221_a2g_d:F-Y, expected Y3F17 to be YF3" +mp-1207704,Y5Sb3F,-6.5966706839,-1.4154664334,0.1433510465,0.1433510465,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:F-Sb-Y,18.0,AB3C5_hP18_193_b_g_dg:F-Sb-Y +mp-1100402,YHgB,-4.53506333,-0.0518822469,0.4684993067,0.4684993067,GGA,F-43m,ABC_cF12_216_c_a_b:B-Hg-Y,3.0,ABC_cF12_216_c_a_b:B-Hg-Y +mp-1096797,HgB6,-5.3629878157,0.40558804,0.40558804,0.40558804,GGA,Pm-3m,A6B_cP7_221_e_b:B-Hg,7.0,A6B_cP7_221_e_b:B-Hg +mp-1184725,Hg3B,-0.842301625,1.0553065915,1.0553065915,1.0553065915,GGA,P6_3/mmc,AB3_hP8_194_c_h:B-Hg,8.0,"Invalid WP multiplicities - AB3_oC16_63_c_2c2g:B-Hg, expected Hg6B to be Hg3B" +mp-29443,PI2,-3.134573235,-0.3478948328,0.0,-0.0098631931,GGA,P-1,A2B_aP6_2_2i_i:I-P,6.0,A2B_aP6_2_2i_i:I-P +mp-27529,PI3,-2.8386359838,-0.3802855946,0.0,-0.11936447,GGA,P6_3,A3B_hP8_173_c_b:I-P,8.0,A3B_hP8_173_c_b:I-P +mp-31279,Rb4P21I,-4.9048887237,-0.3250865975,0.0,-0.0154586413,GGA,Cmcm,AB21C4_oC104_63_c_cf3g3h_eg:I-P-Rb,52.0,"Invalid WP multiplicities - AB21C4_oC104_63_c_cf3g4h_eg:I-P-Rb, expected Rb4P25I to be Rb4P21I" +mp-1272087,V2O3,-9.0510123907,-2.4494367359,0.0858743336,-0.0127392272,GGA+U,P1,A3B2_aP15_1_9a_6a:O-V,15.0,A3B2_aP15_1_9a_6a:O-V +mp-796380,V2O3,-6.2230163535,0.3785593012,2.9138703708,2.81525681,GGA+U,P-1,A3B2_aP40_2_12i_bcdh6i:O-V,40.0,A3B2_aP40_2_21i_bcdh12i:O-V +mp-553955,V2O3,-8.433890807000001,-1.8323151523,0.7029959172,0.6043823565,GGA+U,Cc,A3B2_mC20_9_3a_2a:O-V,10.0,A3B2_mC20_9_3a_2a:O-V +mp-776630,V2O3,-9.076242698,-2.4746670433,0.0606440263,-0.0379695345,GGA+U,P2_1/m,A3B2_mP30_11_9e_6e:O-V,30.0,"Invalid WP multiplicities - A3B2_mP30_11_17e_11e:O-V, expected V11O17 to be V2O3" +mp-777698,V2O3,-9.053483486,-2.4519078313,0.0834032382,-0.0152103225,GGA+U,C2/m,A3B2_mC30_12_a4i_3i:O-V,15.0,A3B2_mC30_12_a7i_5i:O-V +mp-776688,V2O3,-9.0415046165,-2.4399289618,0.0953821078,-0.003231453,GGA+U,P2_1/c,A3B2_mP20_14_3e_2e:O-V,20.0,"Invalid WP multiplicities - A3B2_mP20_14_3e_4e:O-V, expected V4O3 to be V2O3" +mp-715514,V2O3,-9.125666534,-2.5240908793,0.0112201903,-0.0873933705,GGA+U,C2/c,A3B2_mC20_15_ef_f:O-V,10.0,A3B2_mC20_15_ef_f:O-V +mp-1178852,V2O3,-8.82836001,-2.2267843553,0.3085267143,0.2099131535,GGA+U,C2/c,A3B2_mC20_15_ef_f:O-V,10.0,A3B2_mC20_15_ef_f:O-V +mp-1178873,V2O3,-8.891055608,-2.2894799533,0.2458311163,0.1472175555,GGA+U,C2/c,A3B2_mC20_15_ef_f:O-V,10.0,A3B2_mC20_15_ef_f:O-V +mp-780654,V2O3,-9.1061654237,-2.504589769,0.0307213005,-0.0678922602,GGA+U,Pbca,A3B2_oP40_61_3c_2c:O-V,40.0,"Invalid WP multiplicities - A3B2_oP40_61_9c_9c:O-V, expected VO to be V2O3" +mp-1043388,V2O3,-8.901350193,-2.2997745383,0.2355365313,0.1369229705,GGA+U,Cmcm,A3B2_oC40_63_ac2f_2f:O-V,20.0,A3B2_oC40_63_ac2f_2f:O-V +mp-552113,V2O3,-8.402315691,-1.8007400363,0.7345710333000001,0.6359574725,GGA+U,R-3c,A3B2_hR30_167_e_c:O-V,10.0,A3B2_hR30_167_e_c:O-V +mp-18937,V2O3,-9.12822955,-2.5266538953,0.0086571743,-0.0899563865,GGA+U,R-3c,A3B2_hR30_167_e_c:O-V,10.0,A3B2_hR30_167_e_c:O-V +mp-21579,V2O3,-9.1368867243,-2.5353110695,0.0,-0.0986135607,GGA+U,Ia-3,A3B2_cI80_206_e_ad:O-V,40.0,A3B2_cI80_206_e_ad:O-V +mp-714932,V5O9,-8.9124244825,-2.4881581431,0.0169754739,0.0169754739,GGA+U,P1,A9B5_aP28_1_18a_10a:O-V,28.0,A9B5_aP28_1_18a_10a:O-V +mp-542334,V5O9,-8.9219178816,-2.4976515422,0.0074820748,0.0074820748,GGA+U,P-1,A9B5_aP56_2_18i_10i:O-V,56.0,"Invalid WP multiplicities - A9B5_aP56_2_36i_18i:O-V, expected VO2 to be V5O9" +mp-30518,V6O11,-8.8944523671,-2.4875692939,0.0133273132,0.0133273132,GGA+U,P-1,A11B6_aP34_2_11i_6i:O-V,34.0,A11B6_aP34_2_11i_6i:O-V +mp-849537,V6O11,-8.8596881953,-2.4528051221,0.048091485,0.048091485,GGA+U,Cmcm,A11B6_oC68_63_c2fgh_acdf:O-V,34.0,"Invalid WP multiplicities - A11B6_oC68_63_2c4f4g5h_2ac2d2f:O-V, expected V11O38 to be V6O11" +mp-1287184,VO,-9.1012553662,-2.0859579756,0.026801249,0.026801249,GGA+U,C2/m,AB_mC8_12_ad_i:O-V,8.0,AB_hR6_166_a_b:O-V +mp-19184,VO,-9.1062212975,-2.0909239069,0.0218353177,0.0218353177,GGA+U,Fm-3m,AB_cF8_225_a_b:O-V,8.0,AB_cF8_225_a_b:O-V +mp-1273331,VO,-9.06548955,-2.0501921594,0.0625670652,0.0625670652,GGA+U,P4/nmm,AB_tP4_129_c_c:O-V,8.0,AB_tP4_129_c_c:O-V +mp-714885,VO,-9.10557184,-2.0902744494,0.0224847752,0.0224847752,GGA+U,R-3m,AB_hR6_166_a_b:O-V,4.0,AB_hR6_166_a_b:O-V +mp-716723,V9O17,-8.8500495092,-2.4712470969,0.0228051096,0.0228051096,GGA+U,P1,A17B9_aP52_1_34a_18a:O-V,52.0,A17B9_aP52_1_34a_18a:O-V +mp-559485,V9O17,-8.847498326,-2.4686959136,0.0253562929,0.0253562929,GGA+U,P-1,A17B9_aP52_2_17i_ac8i:O-V,52.0,A17B9_aP52_2_17i_ac8i:O-V +mp-1045898,V9O13,-8.9156918486,-2.276505127,0.2203921384,0.2203921384,GGA+U,C2/m,A13B9_mC44_12_a6i_d4i:O-V,22.0,A13B9_mC44_12_a6i_c4i:O-V +mp-715457,V4O7,-8.7645827691,-2.3134513819,0.1982303414,0.1982303414,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-715493,V4O7,-8.7668788618,-2.3157474747,0.1959342486,0.1959342486,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-555597,V4O7,-8.9427913659,-2.4916599788,0.0200217445,0.0200217445,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,"Invalid WP multiplicities - A7B4_aP22_2_14i_5i:O-V, expected V5O14 to be V4O7" +mp-21018,V4O7,-8.7597704977,-2.3086391106,0.2030426127,0.2030426127,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-1178831,V4O7,-8.5643048209,-2.1131734337,0.3985082895,0.3985082895,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-1178988,V4O7,-8.7903895577,-2.3392581706,0.1724235527,0.1724235527,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,"Invalid WP multiplicities - A7B4_aP22_2_8i_4i:O-V, expected VO2 to be V4O7" +mp-1179536,V4O7,-8.4643399377,-2.0132085506,0.4984731727,0.4984731727,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-2506981,V4O7,-8.8025507782,-2.351419391,0.1602623323,0.1602623323,GGA+U,P-1,A7B4_aP22_2_7i_4i:O-V,22.0,A7B4_aP22_2_7i_4i:O-V +mp-1187750,VOsO3,-7.864621749999999,-0.8343538233000001,1.057595233,1.057595233,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-V,5.0,A3BC_cP5_221_c_b_a:O-Os-V +mp-714972,V8O,-7.7156238289,0.9085914235,1.3780934734,1.3780934734,GGA+U,P4_2/mnm,AB8_tP18_136_a_2fi:O-V,18.0,AB8_tP18_136_a_2fi:O-V +mp-776583,V9O22,-8.3662979573,-2.2184816257,0.0899515497,0.0899515497,GGA+U,P1,A22B9_aP62_1_44a_18a:O-V,62.0,A22B9_aP62_1_44a_18a:O-V +mp-1101328,V9O22,-8.3725470929,-2.2247307614,0.083702414,0.083702414,GGA+U,P2_1,A22B9_mP62_4_22a_9a:O-V,62.0,"Invalid WP multiplicities - A22B9_mP62_4_42a_16a:O-V, expected V8O21 to be V9O22" +mp-849581,V9O22,-8.4211719545,-2.273355623,0.0350775524,0.0350775524,GGA+U,P2_1/m,A22B9_mP62_11_22e_9e:O-V,62.0,"Invalid WP multiplicities - A22B9_mP62_11_43e_17e:O-V, expected V17O43 to be V9O22" +mp-705541,V10O9,-8.91337218,-1.7892006484,0.2123607223,0.2123607223,GGA+U,P-1,A9B10_aP19_2_a4i_5i:O-V,19.0,A9B10_aP19_2_a4i_5i:O-V +mp-30064,V16O3,-7.7017772574,0.7288839665,1.3960710901,1.3960710901,GGA+U,I4/mmm,A3B16_tI76_139_dh_abchijkm:O-V,38.0,"Invalid WP multiplicities - A3B16_tI76_139_dh_abc2hijkm:O-V, expected V6O to be V16O3" +mp-1272338,V3O5,-9.02128613,-2.5231409092,0.0,-0.0081500305,GGA+U,P-1,A5B3_aP16_2_5i_ab2i:O-V,16.0,"Invalid WP multiplicities - A5B3_aP16_2_9i_ab4i:O-V, expected V5O9 to be V3O5" +mp-1274098,V3O5,-8.998191544400001,-2.5000463236,0.0230945856,0.0149445552,GGA+U,C2,A5B3_mC32_5_ab4c_3c:O-V,16.0,"Invalid WP multiplicities - A5B3_mC32_5_ab6c_6c:O-V, expected V6O7 to be V3O5" +mp-714911,V3O5,-9.0186307731,-2.5204855523000003,0.0026553569,-0.0054946736,GGA+U,Cc,A5B3_mC32_9_5a_3a:O-V,16.0,"Invalid WP multiplicities - A5B3_mC32_9_5a_6a:O-V, expected V6O5 to be V3O5" +mp-622497,V3O5,-9.0172526231,-2.5191074023,0.0040335069,-0.0041165236,GGA+U,P2/c,A5B3_mP32_13_ef4g_3g:O-V,32.0,"Invalid WP multiplicities - A5B3_mP32_13_2e2f11g_5g:O-V, expected V5O13 to be V3O5" +mp-30987,V3O5,-8.9922428937,-2.494097673,0.0290432363,0.0208932058,GGA+U,C2/c,A5B3_mC32_15_e2f_af:O-V,16.0,A5B3_mC32_15_e2f_cf:O-V +mp-27412,V4O9,-8.5725849181,-2.3529062503,0.0252674077,0.0252674077,GGA+U,Pnma,A9B4_oP52_62_9c_4c:O-V,52.0,A9B4_oP52_62_9c_4c:O-V +mp-715664,V4O9,-8.5204347104,-2.3007560426,0.0774176154,0.0774176154,GGA+U,Cmcm,A9B4_oC104_63_2cef3h_2fh:O-V,52.0,A9B4_oC104_63_2cef3h_2fh:O-V +mp-1370177,V4O9,-8.4766824158,-2.257003748,0.12116991,0.12116991,GGA+U,P4/n,A9B4_tP26_85_a2g_g:O-V,26.0,A9B4_tP26_85_a2g_g:O-V +mp-715517,VO2,-8.7512307865,-2.4254696223,0.0556542719,0.0181820162,GGA+U,P1,A2B_aP48_1_32a_16a:O-V,48.0,A2B_aP48_1_32a_16a:O-V +mp-715553,VO2,-8.73538005,-2.4096188858,0.0715050083,0.0340327526,GGA+U,P1,A2B_aP12_1_8a_4a:O-V,12.0,"Invalid WP multiplicities - A2B_mP12_4_5a_3a:O-V, expected V3O5 to be VO2" +mp-1353031,VO2,-8.667241101,-2.3414799369,0.1396439573,0.1021717016,GGA+U,P1,A2B_aP48_1_32a_16a:O-V,48.0,A2B_aP48_1_32a_16a:O-V +mp-1040910,VO2,-8.6438198375,-2.3180586733,0.1630652208,0.1255929651,GGA+U,P1,A2B_aP36_1_24a_12a:O-V,36.0,A2B_aP36_1_24a_12a:O-V +mp-1245012,VO2,-8.5710559637,-2.2452947996,0.2358290946,0.1983568389,GGA+U,P1,A2B_aP102_1_68a_34a:O-V,102.0,A2B_aP102_1_68a_34a:O-V +mp-1245047,VO2,-8.2319529207,-1.9061917565,0.5749321376000001,0.5374598819,GGA+U,P1,A2B_aP102_1_68a_34a:O-V,102.0,A2B_aP102_1_68a_34a:O-V +mp-1245059,VO2,-8.5915533797,-2.2657922155,0.2153316786,0.1778594229,GGA+U,P1,A2B_aP102_1_68a_34a:O-V,102.0,A2B_aP102_1_68a_34a:O-V +mp-18248,VO2,-8.759870755,-2.4341095908,0.0470143033,0.0095420476,GGA+U,Fmmm,A2B_oF96_69_2gjmn_fghi:O-V,,A2B_tP6_136_f_a:O-V +mp-1289705,VO2,-8.7353818362,-2.4096206721,0.0715032221,0.0340309664,GGA+U,P1,A2B_aP24_1_16a_8a:O-V,24.0,A2B_aP24_1_16a_8a:O-V +mp-849511,VO2,-8.7552563413,-2.4294951772,0.051628717,0.0141564613,GGA+U,P-1,A2B_aP15_2_5i_a2i:O-V,15.0,"Invalid WP multiplicities - A2B_aP15_2_10i_a3i:O-V, expected V7O20 to be VO2" +mp-714931,VO2,-8.3202898675,-1.9945287033,0.4865951908,0.4491229351,GGA+U,P-1,A2B_aP12_2_4i_2i:O-V,12.0,A2B_aP12_2_4i_2i:O-V +mp-636746,VO2,-8.3090143475,-1.9832531833,0.4978707108,0.4603984551,GGA+U,P-1,A2B_aP12_2_4i_2i:O-V,12.0,A2B_aP12_2_4i_2i:O-V +mp-1271757,VO2,-8.7442975042,-2.41853634,0.0625875542,0.0251152985,GGA+U,P-1,A2B_aP12_2_4i_2i:O-V,12.0,"Invalid WP multiplicities - A2B_aP12_2_7i_3i:O-V, expected V3O7 to be VO2" +mp-1273559,VO2,-8.7474649278,-2.4217037636,0.0594201306,0.0219478748,GGA+U,P-1,A2B_aP18_2_6i_be2i:O-V,18.0,"Invalid WP multiplicities - A2B_aP18_2_12i_be4i:O-V, expected V5O12 to be VO2" +mp-1277428,VO2,-8.74676858,-2.4210074158,0.0601164783,0.0226442226,GGA+U,P-1,A2B_aP18_2_6i_be2i:O-V,18.0,"Invalid WP multiplicities - A2B_aP9_2_5i_ai:O-V, expected V3O10 to be VO2" +mp-1273390,VO2,-8.7407704263,-2.4150092621,0.0661146321,0.0286423764,GGA+U,P2_1,A2B_mP24_4_8a_4a:O-V,24.0,"Invalid WP multiplicities - A2B_mP24_4_8a_6a:O-V, expected V3O4 to be VO2" +mp-1272932,VO2,-8.7480365694,-2.4222754053,0.0588484889,0.0213762332,GGA+U,C2,A2B_mC36_5_6c_ab2c:O-V,18.0,A2B_aP18_1_12a_6a:O-V +mp-1314858,VO2,-8.7189469517,-2.3931857875,0.0879381067,0.050465851,GGA+U,C2,A2B_mC36_5_6c_ab2c:O-V,18.0,"Invalid WP multiplicities - A2B_mC36_5_10c_ab2c:O-V, expected V3O10 to be VO2" +mp-1274771,VO2,-8.7352946642,-2.4095335,0.0715903942,0.0341181385,GGA+U,Pc,A2B_mP24_7_8a_4a:O-V,24.0,"Invalid WP multiplicities - A2B_mP24_7_12a_4a:O-V, expected VO3 to be VO2" +mp-1361684,VO2,-8.6725243806,-2.3467632164,0.1343606778,0.0968884221,GGA+U,Cm,A2B_mC72_8_12a6b_6a3b:O-V,36.0,A2B_mC72_8_12a10b_6a5b:O-V +mp-1277117,VO2,-8.739236885,-2.4134757208,0.0676481733,0.0301759176,GGA+U,Cc,A2B_mC36_9_6a_3a:O-V,18.0,"Invalid WP multiplicities - A2B_mC36_9_8a_6a:O-V, expected V3O4 to be VO2" +mp-559445,VO2,-8.31039741,-1.9846362458,0.4964876483,0.4590153926,GGA+U,P2/m,A2B_mP12_10_2mo_im:O-V,12.0,A2B_mP12_10_2mo_im:O-V +mp-566801,VO2,-8.3029290217,-1.9771678575,0.5039560367,0.466483781,GGA+U,P2/m,A2B_mP12_10_2mo_im:O-V,12.0,A2B_mP12_10_2mo_im:O-V +mp-1446045,VO2,-8.6697776804,-2.3440165163,0.1371073779,0.0996351222,GGA+U,P2_1/m,A2B_mP24_11_4f_acf:O-V,24.0,A2B_oC12_63_f_a:O-V +mp-714944,VO2,-8.6687544867,-2.3429933225,0.1381305717,0.100658316,GGA+U,C2/m,A2B_mC6_12_i_a:O-V,3.0,A2B_mC6_12_i_a:O-V +mp-755411,VO2,-8.74439201,-2.4186308458,0.0624930483,0.0250207926,GGA+U,C2/m,A2B_mC36_12_2i2j_adj:O-V,18.0,"Invalid WP multiplicities - A2B_mC36_12_3i7j_acj:O-V, expected V3O17 to be VO2" +mp-541404,VO2,-8.786874335,-2.4611131708,0.0200107233,-0.0174615324,GGA+U,C2/m,A2B_mC24_12_4i_2i:O-V,12.0,A2B_mC24_12_4i_2i:O-V +mp-1100908,VO2,-8.781980805,-2.4562196408,0.0249042533,-0.0125680024,GGA+U,C2/m,A2B_mC24_12_2ij_gi:O-V,12.0,"Invalid WP multiplicities - A2B_mC24_12_3i2j_gi:O-V, expected V2O7 to be VO2" +mp-1021522,VO2,-8.7736649838,-2.4479038196,0.0332200746,-0.0042521811,GGA+U,P2_1/c,A2B_mP24_14_4e_2e:O-V,24.0,A2B_mP24_14_10e_5e:O-V +mp-1102963,VO2,-8.80612073,-2.4803595658,0.0007643283,-0.0367079274,GGA+U,P2_1/c,A2B_mP12_14_2e_e:O-V,12.0,A2B_tP6_136_f_a:O-V +mp-2506972,VO2,-8.74696093,-2.4211997658,0.0599241283,0.0224518726,GGA+U,P2_1/c,A2B_mP12_14_2e_e:O-V,12.0,A2B_mP12_14_2e_e:O-V +mp-1780502,VO2,-8.644505545,-2.3187443808,0.1623795133,0.1249072576,GGA+U,C2/c,A2B_mC24_15_2f_ac:O-V,12.0,"Invalid WP multiplicities - A2B_aP12_2_8i_abcf:O-V, expected VO4 to be VO2" +mp-1284510,VO2,-8.7322555104,-2.4064943462,0.0746295479,0.0371572922,GGA+U,Pmc2_1,A2B_oP24_26_4a4b_2a2b:O-V,24.0,"Invalid WP multiplicities - A2B_oP24_62_4c_4c:O-V, expected VO to be VO2" +mp-715035,VO2,-8.7491964727,-2.4234353085,0.0576885856,0.0202163299,GGA+U,Pma2,A2B_oP48_28_2a8c3d_2b4cd:O-V,48.0,"Invalid WP multiplicities - A2B_oP48_28_4a16c9d_4b8c3d:O-V, expected V9O19 to be VO2" +mp-1285335,VO2,-8.7361078342,-2.41034667,0.0707772242,0.0333049685,GGA+U,Pmn2_1,A2B_oP24_31_8a_4a:O-V,24.0,"Invalid WP multiplicities - A2B_oP24_62_4c_4c:O-V, expected VO to be VO2" +mp-2214678,VO2,-8.6086941225,-2.2829329583,0.1981909358,0.1607186801,GGA+U,Cmc2_1,A2B_oC24_36_4a_2a:O-V,12.0,A2B_oC24_36_6a_3a:O-V +mp-547074,VO2,-8.8052351283,-2.4794739642,0.00164993,-0.0358223257,GGA+U,Pnnm,A2B_oP6_58_g_a:O-V,6.0,A2B_oP6_58_g_a:O-V +mp-1342978,VO2,-8.6494185292,-2.323657365,0.1574665292,0.1199942735,GGA+U,Pmmn,A2B_oP24_59_2eg_ce:O-V,24.0,A2B_oP24_59_2eg_ce:O-V +mp-1094031,VO2,-8.7884923762,-2.4627312121,0.0183926821,-0.0190795736,GGA+U,Pbca,A2B_oP24_61_2c_c:O-V,24.0,A2B_oP24_61_2c_c:O-V +mp-777479,VO2,-8.7809622325,-2.4552010683,0.0259228258,-0.0115494299,GGA+U,Pnma,A2B_oP12_62_2c_c:O-V,12.0,"Invalid WP multiplicities - A2B_oP12_62_5c_c:O-V, expected VO5 to be VO2" +mp-1190609,VO2,-8.7474939808,-2.4217328167,0.0593910775,0.0219188218,GGA+U,Pnma,A2B_oP24_62_4c_2c:O-V,24.0,A2B_oP24_62_4c_2c:O-V +mp-20974,VO2,-8.7515599075,-2.4257987433,0.0553251508,0.0178528951,GGA+U,Pnma,A2B_oP12_62_2c_c:O-V,12.0,A2B_oP12_62_2c_c:O-V +mp-777469,VO2,-8.76855142,-2.4427902558,0.0383336383,0.0008613826,GGA+U,Cmcm,A2B_oC24_63_fg_ac:O-V,12.0,"Invalid WP multiplicities - A2B_oC24_63_fg_2a2c:O-V, expected VO to be VO2" +mp-1047618,VO2,-8.6531280717,-2.3273669075,0.1537569867,0.116284731,GGA+U,Cmcm,A2B_oC24_63_acf_f:O-V,12.0,A2B_oC24_63_acf_f:O-V +mp-2214803,VO2,-8.6625970767,-2.3368359125,0.1442879817,0.106815726,GGA+U,Cmcm,A2B_oC12_63_f_a:O-V,24.0,A2B_oC12_63_f_a:O-V +mp-755394,VO2,-8.712540815,-2.3867796508,0.0943442433,0.0568719876,GGA+U,Imma,A2B_oI24_74_hi_ae:O-V,12.0,"Invalid WP multiplicities - A2B_oI24_74_2h3i_ae:O-V, expected VO5 to be VO2" +mp-1271792,VO2,-8.7150177833,-2.3892566192,0.091867275,0.0543950193,GGA+U,Imma,A2B_oI24_74_hi_ae:O-V,12.0,A2B_oI24_74_hi_ae:O-V +mp-1271755,VO2,-8.7648941958,-2.4391330317,0.0419908625,0.0045186068,GGA+U,I4/m,A2B_tI24_87_2h_h:O-V,12.0,A2B_tI24_87_2h_h:O-V +mp-634430,VO2,-8.4291672492,-2.103406085,0.3777178092,0.3402455535,GGA+U,I4_1/a,A2B_tI24_88_f_c:O-V,12.0,A2B_tI24_141_h_c:O-V +mp-1178787,VO2,-8.7663710712,-2.4406099071,0.0405139871,0.0030417314,GGA+U,P4/ncc,A2B_tP48_130_2g_g:O-V,48.0,"Invalid WP multiplicities - A2B_tP48_130_15g_g:O-V, expected VO15 to be VO2" +mp-19094,VO2,-8.8068850583,-2.4811238942,0.0,-0.0374722557,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:O-V,6.0,A2B_tP6_136_f_a:O-V +mp-20593,VO2,-8.7230273133,-2.3972661492,0.083857745,0.0463854893,GGA+U,I4/mmm,A2B_tI24_139_hi_j:O-V,12.0,A2B_tI24_139_hi_j:O-V +mp-714960,VO2,-8.6483701325,-2.3226089683,0.1585149258,0.1210426701,GGA+U,I4_1/amd,A2B_tI24_141_h_c:O-V,12.0,A2B_tI24_141_h_c:O-V +mp-1412582,VO2,-8.59193131,-2.2661701458,0.2149537483,0.1774814926,GGA+U,R3m,A2B_hR36_160_2a2b_ab:O-V,12.0,A2B_hR36_160_2a2b_ab:O-V +mp-25199,VO2,-8.54139344,-2.2156322758,0.2654916183,0.2280193626,GGA+U,R-3m,A2B_hR9_166_c_a:O-V,3.0,A2B_hR9_166_c_a:O-V +mp-1420871,VO2,-8.5414836467,-2.2157224825,0.2654014117,0.227929156,GGA+U,R-3m,A2B_hR9_166_c_a:O-V,3.0,A2B_hR9_166_c_a:O-V +mp-1396942,VO2,-6.5155597867,-0.1897986225,2.2913252717,2.253853016,GGA+U,P6_3/mmc,A2B_hP6_194_f_c:O-V,6.0,A2B_hP6_194_f_c:O-V +mp-1393040,VO2,-8.5403001717,-2.2145390075,0.2665848867,0.229112631,GGA+U,P6_3/mmc,A2B_hP6_194_f_a:O-V,6.0,A2B_hP6_194_f_a:O-V +mp-25283,VO2,-8.6440707625,-2.3183095983,0.1628142958,0.1253420401,GGA+U,Fd-3m,A2B_cF48_227_e_c:O-V,12.0,A2B_cF48_227_e_c:O-V +mp-685164,V25O32,-9.0556877781,-2.2944300498,0.0777908339,0.0777908339,GGA+U,C2,A32B25_mC114_5_16c_3a4b9c:O-V,57.0,"Invalid WP multiplicities - A32B25_mC114_5_32c_3a4b17c:O-V, expected V41O64 to be V25O32" +mp-622640,V3O7,-8.5271820072,-2.3393280883,0.0079604988,0.0079604988,GGA+U,C2/c,A7B3_mC120_15_e10f_e4f:O-V,60.0,"Invalid WP multiplicities - A7B3_mC120_15_2e38f_2e13f:O-V, expected V14O39 to be V3O7" +mp-1379199,V3O7,-8.4845435878,-2.2966896689,0.0505989183,0.0505989183,GGA+U,Pnma,A7B3_oP40_62_c3d_cd:O-V,40.0,"Invalid WP multiplicities - A7B3_oP40_62_c3d_c2d:O-V, expected V5O7 to be V3O7" +mp-756395,V3O7,-8.511332639,-2.3234787201,0.023809867,0.023809867,GGA+U,I4/mmm,A7B3_tI60_139_a2hil_bhj:O-V,30.0,"Invalid WP multiplicities - A7B3_tI60_139_a5h2i6l_b2h2j:O-V, expected V17O77 to be V3O7" +mp-764115,V3O7,-8.452983846,-2.2651299271,0.08215866,0.08215866,GGA+U,P31c,A7B3_hP60_159_7c_3c:O-V,60.0,"Invalid WP multiplicities - A7B3_hP60_159_38c_14c:O-V, expected V7O19 to be V3O7" +mp-760992,V3O7,-8.4168081152,-2.2289541963,0.1183343908,0.1183343908,GGA+U,P-31c,A7B3_hP60_163_h3i_hi:O-V,60.0,"Invalid WP multiplicities - A7B3_hP60_163_6h31i_6h7i:O-V, expected V5O17 to be V3O7" +mp-1244889,V2O5,-8.3105627501,-2.1818119363,0.108118662,0.0729722137,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244901,V2O5,-7.8899040025,-1.7611531887,0.5287774097,0.4936309613,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244904,V2O5,-7.9350731034,-1.8063222897,0.4836083087,0.4484618603,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244920,V2O5,-7.9378240183,-1.8090732045,0.4808573939,0.4457109455,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244925,V2O5,-7.9206716176,-1.7919208039,0.4980097945,0.4628633461,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244942,V2O5,-7.8993539724,-1.7706031586000002,0.5193274398000001,0.4841809914,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244961,V2O5,-7.904909368,-1.7761585543,0.5137720441,0.4786255958,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244978,V2O5,-7.9077657228,-1.779014909,0.5109156894,0.475769241,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244985,V2O5,-7.8940847853,-1.7653339716,0.5245966268,0.4894501784,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1244996,V2O5,-8.3006292587,-2.1718784449,0.1180521535,0.0829057051,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245000,V2O5,-8.3141025274,-2.1853517137,0.1045788847,0.0694324363,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245005,V2O5,-7.9084761929,-1.7797253791,0.5102052193000001,0.4750587709,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245040,V2O5,-7.8941925192,-1.7654417055,0.5244888929,0.4893424445,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245049,V2O5,-7.9143015265,-1.7855507127,0.5043798857,0.4692334373,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245058,V2O5,-7.905832547,-1.7770817332000002,0.5128488652000001,0.4777024168,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245061,V2O5,-7.8897503526,-1.7609995388000002,0.5289310596,0.4937846112,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245096,V2O5,-7.9108296491,-1.7820788354,0.507851763,0.4727053146,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245097,V2O5,-7.927906209,-1.7991553953,0.4907752031,0.4556287547,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245101,V2O5,-7.9356009489,-1.8068501351,0.4830804633,0.4479340149,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245118,V2O5,-7.8995143948,-1.7707635810000002,0.5191670174,0.484020569,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245120,V2O5,-8.35113225,-2.2223814362,0.0675491621,0.0324027138,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245137,V2O5,-8.310853015,-2.1821022013,0.1078283971,0.0726819487,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245142,V2O5,-7.9140364658,-1.7852856521,0.5046449463,0.4694984979,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245153,V2O5,-7.9006037032,-1.7718528895,0.5180777089,0.4829312605,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245156,V2O5,-8.328707714,-2.1999569002,0.0899736981,0.0548272498,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245160,V2O5,-7.9351374302,-1.8063866164,0.483543982,0.4483975336,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245162,V2O5,-8.331622243,-2.2028714292,0.0870591692,0.0519127208,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245171,V2O5,-7.9077356043,-1.7789847905,0.5109458079,0.4757993595,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245174,V2O5,-7.9307914385,-1.8020406247,0.4878899737,0.4527435253,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245198,V2O5,-7.8998839641,-1.7711331503,0.518797448,0.4836509997,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245219,V2O5,-8.2929699313,-2.1642191176,0.1257114808,0.0905650324,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245221,V2O5,-7.9387902307,-1.8100394169,0.4798911815,0.4447447331,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245240,V2O5,-7.9116222793,-1.7828714656,0.5070591328,0.4719126844,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245272,V2O5,-7.8982365835,-1.7694857698000002,0.5204448286,0.4852983802,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245275,V2O5,-7.9281700722,-1.7994192584,0.49051134,0.4553648916,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245283,V2O5,-7.8812821759,-1.7525313622,0.5373992362000001,0.5022527878,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245284,V2O5,-7.9156986607,-1.7869478469,0.5029827515,0.4678363031,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245312,V2O5,-7.9007991323,-1.7720483185,0.5178822799,0.4827358315,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245315,V2O5,-7.9444229232,-1.8156721095,0.4742584889,0.4391120405,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-1245325,V2O5,-7.9067415092,-1.7779906955,0.5119399029,0.4767934545,GGA+U,P1,A5B2_aP105_1_75a_30a:O-V,105.0,A5B2_aP105_1_75a_30a:O-V +mp-729713,V2O5,-8.3790896179,-2.2503388041,0.0395917943,0.0044453459,GGA+U,P-1,A5B2_aP14_2_5i_2i:O-V,14.0,A5B2_aP14_2_5i_2i:O-V +mp-510568,V2O5,-8.3887618007,-2.260010987,0.0299196114,-0.005226837,GGA+U,P2_1/m,A5B2_mP14_11_5e_2e:O-V,14.0,A5B2_mP14_11_5e_2e:O-V +mp-25207,V2O5,-8.3888633386,-2.2601125248,0.0298180736,-0.0053283748,GGA+U,C2/m,A5B2_mC42_12_a7i_3i:O-V,21.0,A5B2_mC42_12_a7i_3i:O-V +mp-720166,V2O5,-8.29113709,-2.1623862762,0.1275443221,0.0923978738,GGA+U,C2/m,A5B2_mC14_12_a2i_i:O-V,7.0,A5B2_mC14_12_a2i_i:O-V +mp-831269,V2O5,-8.3927113056,-2.2639604919,0.0259701065,-0.0091763419,GGA+U,P2/c,A5B2_mP98_13_e17g_7g:O-V,98.0,"Invalid WP multiplicities - A5B2_mP98_13_2e67g_27g:O-V, expected V27O68 to be V2O5" +mp-776041,V2O5,-8.3845069821,-2.2557561684,0.03417443,-0.0009720184,GGA+U,P2_1/c,A5B2_mP28_14_5e_2e:O-V,28.0,"Invalid WP multiplicities - A5B2_mP28_14_13e_3e:O-V, expected V3O13 to be V2O5" +mp-542844,V2O5,-8.3580478429,-2.2292970291,0.0606335693,0.0254871209,GGA+U,C2/c,A5B2_mC28_15_e2f_f:O-V,14.0,A5B2_mC28_15_e2f_f:O-V +mp-754585,V2O5,-8.4064938507,-2.277743037,0.0121875614,-0.022958887,GGA+U,Fdd2,A5B2_oF56_43_a2b_b:O-V,14.0,"Invalid WP multiplicities - A5B2_oF56_43_2a6b_b:O-V, expected VO7 to be V2O5" +mp-1410508,V2O5,-8.3627246993,-2.2339738855,0.0559567129,0.0208102645,GGA+U,Pbam,A5B2_oP14_55_agh_g:O-V,14.0,A5B2_oP14_55_agh_g:O-V +mp-754670,V2O5,-8.4095591421,-2.2808083284,0.00912227,-0.0260241784,GGA+U,Pmmn,A5B2_oP14_59_a2e_e:O-V,14.0,"Invalid WP multiplicities - A5B2_oP14_59_2a6e_e:O-V, expected VO7 to be V2O5" +mp-624689,V2O5,-8.2854621679,-2.1567113541,0.1332192443,0.0980727959,GGA+U,Pmmn,A5B2_oP14_59_a2e_e:O-V,14.0,A5B2_oP14_59_a2e_e:O-V +mp-25279,V2O5,-8.4186814121,-2.2899305984,0.0,-0.0351464484,GGA+U,Pmmn,A5B2_oP14_59_a2e_e:O-V,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:O-V, expected V2O7 to be V2O5" +mp-776152,V2O5,-8.4148039675,-2.2860531537,0.0038774446,-0.0312690037,GGA+U,Pnma,A5B2_oP28_62_3cd_2c:O-V,28.0,"Invalid WP multiplicities - A5B2_oP28_62_9c4d_2c:O-V, expected V2O17 to be V2O5" +mp-25280,V2O5,-8.4097222561,-2.2809714423,0.0089591561,-0.0261872923,GGA+U,Pnma,A5B2_oP28_62_c2d_d:O-V,28.0,A5B2_oP28_62_c2d_d:O-V +mp-25288,V2O5,-8.4057391671,-2.2769883534,0.012942245,-0.0222042034,GGA+U,Pnma,A5B2_oP28_62_5c_2c:O-V,28.0,A5B2_oP28_62_5c_2c:O-V +mp-755235,V2O5,-8.4077914586,-2.2790406448,0.0108899536,-0.0242564948,GGA+U,Pnma,A5B2_oP28_62_3cd_2c:O-V,28.0,"Invalid WP multiplicities - A5B2_oP28_62_9c4d_5c:O-V, expected V5O17 to be V2O5" +mp-25233,V2O5,-8.4073383371,-2.2785875234,0.011343075,-0.0238033734,GGA+U,Cmcm,A5B2_oC28_63_c2f_f:O-V,14.0,"Invalid WP multiplicities - A5B2_oC28_63_2c5f_f:O-V, expected VO6 to be V2O5" +mp-1216596,V2O5,-7.77875104,-1.6500002262,0.6399303721,0.6047839238,GGA+U,Immm,A5B2_oI14_71_aef_f:O-V,7.0,A5B2_oI14_71_aef_f:O-V +mp-777580,V5O12,-8.4165284165,-2.2530110703,0.0706595215,0.0706595215,GGA+U,P1,A12B5_aP17_1_12a_5a:O-V,17.0,A12B5_aP17_1_12a_5a:O-V +mp-2214725,V5O12,-8.39928233,-2.2357649838,0.0879056079,0.0879056079,GGA+U,P1,A12B5_aP17_1_12a_5a:O-V,17.0,A12B5_aP17_1_12a_5a:O-V +mp-772530,V5O12,-8.3971148318,-2.2335974856,0.0900731062,0.0900731062,GGA+U,C2,A12B5_mC34_5_6c_2abc:O-V,17.0,A12B5_mC34_5_6c_2abc:O-V +mp-754451,V5O12,-8.4549550859,-2.2914377397,0.0322328521,0.0322328521,GGA+U,C2,A12B5_mC34_5_6c_a2c:O-V,34.0,"Invalid WP multiplicities - A12B5_mC34_5_6c_2a4c:O-V, expected V5O6 to be V5O12" +mp-778252,V5O12,-8.4846186771,-2.3211013309,0.0025692609,0.0025692609,GGA+U,P2_1/c,A12B5_mP68_14_12e_5e:O-V,68.0,"Invalid WP multiplicities - A12B5_mP68_14_43e_14e:O-V, expected V14O43 to be V5O12" +mp-1179073,V3O8,-7.0893346373,-1.0143139191,1.1715289248,1.1715289248,GGA+U,Cm,A8B3_mC44_8_16a_6a:O-V,22.0,A8B3_mC44_8_16a_6a:O-V +mp-1178828,V3O8,-8.0863971227,-2.0113764045,0.1744664394,0.1744664394,GGA+U,Cc,A8B3_mC44_9_8a_3a:O-V,22.0,A8B3_mC44_15_4f_ef:O-V +mp-1178827,V3O8,-8.0554639482,-1.98044323,0.2053996139,0.2053996139,GGA+U,C2/m,A8B3_mC22_12_4i_ai:O-V,11.0,A8B3_mC22_12_4i_ai:O-V +mp-1178850,V3O8,-7.3363551891,-1.2613344709,0.924508373,0.924508373,GGA+U,C2/m,A8B3_mC22_12_4i_ai:O-V,11.0,A8B3_mC22_12_4i_ai:O-V +mp-1179363,V3O8,-7.6393503209,-1.5643296027,0.6215132412000001,0.6215132412000001,GGA+U,C2/m,A8B3_mC22_12_4i_ai:O-V,11.0,A8B3_mC22_12_4i_ai:O-V +mp-796240,V3O8,-8.0859327768,-2.0109120586,0.1749307853,0.1749307853,GGA+U,C2/c,A8B3_mC44_15_4f_ef:O-V,22.0,A8B3_mC44_15_4f_ef:O-V +mp-796383,V3O8,-8.1328069393,-2.0577862211,0.1280566228,0.1280566228,GGA+U,Pnma,A8B3_oP44_62_8c_3c:O-V,44.0,A8B3_oP44_62_8c_3c:O-V +mp-1046039,V5O7,-8.9539611254,-2.283431848,0.181453914,0.181453914,GGA+U,Cmcm,A7B5_oC48_63_c3f_a2f:O-V,24.0,"Invalid WP multiplicities - A7B5_oC48_63_c3f_a3f:O-V, expected VO to be V5O7" +mp-1100921,V7O3,-8.286693774,-0.4439529116,0.8237026231,0.8237026231,GGA+U,P-1,A3B7_aP10_2_bi_e3i:O-V,10.0,"Invalid WP multiplicities - A3B7_aP10_2_b2i_e5i:O-V, expected V11O5 to be V7O3" +mp-542910,V7O3,-8.279316294000001,-0.4365754316,0.8310801031,0.8310801031,GGA+U,C2/m,A3B7_mC20_12_ai_d3i:O-V,10.0,A3B7_mC20_12_ai_c3i:O-V +mp-1204545,V5O14,-7.9407542704,-1.9053241489,0.2038224548,0.2038224548,GGA+U,P-1,A14B5_aP76_2_28i_10i:O-V,76.0,A14B5_aP76_2_28i_10i:O-V +mp-30065,V13O16,-8.4560025184,-1.6546991291,0.6766213945,0.6766213945,GGA+U,I4_1/amd,A16B13_tI116_141_2hi_a2fh:O-V,58.0,A16B13_tI116_141_2hi_a2fh:O-V +mp-715598,V7O13,-8.8725045887,-2.4777898019,0.0201408983,0.0201408983,GGA+U,P1,A13B7_aP40_1_26a_14a:O-V,40.0,A13B7_aP40_1_26a_14a:O-V +mp-27151,V7O13,-8.8755807283,-2.4808659414,0.0170647587,0.0170647587,GGA+U,P-1,A13B7_aP40_2_13i_ac6i:O-V,40.0,A13B7_aP40_2_13i_ac6i:O-V +mp-818205,V3O10,-7.3349642488,-1.4335330702,0.4160262593,0.4160262593,GGA+U,P4bm,A10B3_tP26_100_ab2cd_ac:O-V,26.0,A10B3_tP26_100_ab2cd_ac:O-V +mp-773019,V12O29,-8.4421723037,-2.2845907069,0.0333193982,0.0333193982,GGA+U,C2/m,A29B12_mC82_12_a14i_6i:O-V,41.0,"Invalid WP multiplicities - A29B12_mC82_12_a27i_11i:O-V, expected V2O5 to be V12O29" +mp-1178867,VO3,-7.51690597,-1.5359129191,0.4677763545,0.4677763545,GGA+U,P2_1/m,A3B_mP24_11_3e3f_ef:O-V,24.0,A3B_mP24_11_3e3f_ef:O-V +mp-826024,VO3,-7.6453144213,-1.6643213703000002,0.3393679033,0.3393679033,GGA+U,C2/m,A3B_mC32_12_6i_2i:O-V,16.0,A3B_mC32_12_6i_2i:O-V +mp-1207792,VO3,-7.6739554437,-1.6929623928000002,0.3107268808,0.3107268808,GGA+U,Imma,A3B_oI16_74_ef_e:O-V,8.0,A3B_oI16_74_ef_e:O-V +mp-1208572,VO3,-6.9947425212,-1.0137494703,0.9899398033,0.9899398033,GGA+U,P4_2/ncm,A3B_tP64_138_3j_j:O-V,64.0,A3B_tP64_138_3j_j:O-V +mp-1196958,V6O13,-8.6455718582,-2.3923934547,0.0182908042,0.0182908042,GGA+U,Pc,A13B6_mP38_7_13a_6a:O-V,38.0,A13B6_mP38_7_13a_6a:O-V +mp-19457,V6O13,-8.6361879489,-2.3830095455,0.0276747134,0.0276747134,GGA+U,Cm,A13B6_mC38_8_13a_6a:O-V,38.0,A13B6_mC38_8_13a_6a:O-V +mp-714921,V6O13,-8.6473947332,-2.3942163297,0.0164679292,0.0164679292,GGA+U,P2_1/m,A13B6_mP38_11_13e_6e:O-V,38.0,"Invalid WP multiplicities - A13B6_mP38_11_21e_9e:O-V, expected V3O7 to be V6O13" +mp-870306,V6O13,-8.64750138,-2.3943229765,0.0163612824,0.0163612824,GGA+U,P2_1/m,A13B6_mP38_11_13e_6e:O-V,38.0,"Invalid WP multiplicities - A13B6_mP38_11_21e_9e:O-V, expected V3O7 to be V6O13" +mp-18896,V6O13,-8.6457662989,-2.3925878955,0.0180963634,0.0180963634,GGA+U,C2/m,A13B6_mC38_12_a6i_3i:O-V,19.0,"Invalid WP multiplicities - A13B6_mC38_12_a11i_4i:O-V, expected V8O23 to be V6O13" +mp-1201338,V6O13,-8.6462781197,-2.3930997163,0.0175845426,0.0175845426,GGA+U,P2_1/c,A13B6_mP38_14_a6e_3e:O-V,38.0,A13B6_mP38_14_a6e_3e:O-V +mp-715617,V6O13,-8.6278370505,-2.374658647,0.0360256118,0.0360256118,GGA+U,Cmcm,A13B6_oC76_63_3c5g_2c2g:O-V,38.0,"Invalid WP multiplicities - A13B6_oC76_63_4c11g_2c4g:O-V, expected V5O13 to be V6O13" +mp-554064,V6O13,-8.6200365366,-2.3668581331,0.0438261258,0.0438261258,GGA+U,Fmmm,A13B6_oF76_69_agi2n_gn:O-V,38.0,"Invalid WP multiplicities - A13B6_oF76_69_2a3g4i10n_2g3n:O-V, expected V2O7 to be V6O13" +mp-556566,V8O15,-8.8701222387,-2.4844014027,0.0113371054,0.0113371054,GGA+U,P-1,A15B8_aP46_2_15i_8i:O-V,46.0,A15B8_aP46_2_30i_16i:O-V +mp-1100929,V9O20,-7.7947356238,-1.5640829047,0.8247407778,0.8247407778,GGA+U,P1,A20B9_aP29_1_20a_9a:O-V,29.0,A20B9_aP29_1_20a_9a:O-V +mp-1205504,V7O4,-8.4679430527,-0.8884796586,0.6480725047,0.6480725047,GGA+U,C2/m,A4B7_mC22_12_2i_a3i:O-V,11.0,A4B7_mC22_12_2i_a3i:O-V +mp-726865,KI,-2.9775106987,-1.6856280502,0.0201697613,-1.6856280502,GGA,Pnma,AB_oP8_62_c_c:I-K,8.0,AB_oC8_63_c_a:I-K +mp-1078836,KI,-2.9783694375,-1.686486789,0.0193110225,-1.686486789,GGA,Cmcm,AB_oC8_63_c_a:I-K,4.0,AB_oC8_63_c_a:I-K +mp-22898,KI,-2.99768046,-1.7057978115,0.0,-1.7057978115,GGA,Fm-3m,AB_cF8_225_a_b:I-K,2.0,AB_cF8_225_a_b:I-K +mp-22901,KI,-2.9280827250000003,-1.6362000765,0.069597735,-1.6362000765,GGA,Pm-3m,AB_cP2_221_a_b:I-K,2.0,AB_cP2_221_a_b:I-K +mp-23534,KSn2I5,-3.0582540881,-0.9962072872,0.0199120439,0.0199120439,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:I-K-Sn,16.0,A5BC2_tI32_140_cl_a_h:I-K-Sn +mp-1097015,KSnI3,-3.0666965065,-1.1586825361,0.0,-0.0092550178,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-K-Sn,20.0,A3BC_oP20_62_3c_c_c:I-K-Sn +mp-505011,YCo5P3,-7.3111692889,-0.839172888,0.0,-0.0254583486,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Y,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Y +mp-1216287,Y5Co19P12,-7.3404768731,-0.8863095466,0.0,-0.0002541783,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Y,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Y +mp-1203265,YCo3P2,-7.3692761006,-0.9329378486,0.0,-0.0184233991,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Y,36.0,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Y +mp-1226225,CrBW,-9.9973417667,-0.2338186097,0.1191586275,0.1191586275,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Cr-W,6.0,ABC_oF24_69_f_g_h:B-Cr-W +mp-1226242,CrB2W,-9.4253912,-0.4329008896,0.0156695912,0.0156695912,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Cr-W,4.0,A2BC_oC8_38_ab_a_b:B-Cr-W +mp-1226102,Cr2(BW)3,-10.043670905,-0.2663382872,0.0965934694,0.0965934694,GGA,I4cm,A3B2C3_tI32_108_ac_c_ac:B-Cr-W,16.0,A3B2C3_tI32_108_ac_c_ac:B-Cr-W +mp-1216242,W2N3,-10.832267995,-0.647118948,0.0,-0.1896020002,GGA,Cm,A3B2_mC20_8_2a2b_2ab:N-W,10.0,"Invalid WP multiplicities - A3B2_mC20_8_2a3b_2a2b:N-W, expected W3N4 to be W2N3" +mp-1079251,W2N3,-10.492092503,-0.306943456,0.340175492,0.1505734918,GGA,P6_3/mmc,A3B2_hP10_194_cf_f:N-W,10.0,A3B2_hP10_194_cf_f:N-W +mp-27943,W2N,-11.0233480767,0.3942370517,0.7537475783,0.7537475783,GGA,P-3m1,AB2_hP9_164_ad_c2d:N-W,9.0,AB2_hP9_164_ad_c2d:N-W +mp-1216967,W7N6,-11.1770675196,-0.3519997381,0.1457840681,0.1457840681,GGA,P3m1,A6B7_hP26_156_6a6b_6a8b:N-W,26.0,A6B7_hP26_156_6a6b_6a8b:N-W +mp-8102,W3N4,-10.5684421286,-0.2512463586,0.3650574014,0.3650574014,GGA,Pm-3m,A4B3_cP7_221_ac_d:N-W,7.0,A4B3_cP7_221_ac_d:N-W +mp-1430706,WN,-10.8275615675,-0.18024899,0.3590167999999999,0.3590167999999999,GGA,Pmn2_1,AB_oP4_31_a_a:N-W,4.0,AB_oP4_59_a_b:N-W +mp-991,WN,-10.898314145,-0.2510015675,0.2882642225,0.2882642225,GGA,P-6m2,AB_hP2_187_a_d:N-W,2.0,AB_hP2_187_a_d:N-W +mp-972036,WN,-10.89628289,-0.2489703125,0.2902954775,0.2902954775,GGA,P6_3mc,AB_hP4_186_b_b:N-W,4.0,AB_hP4_186_b_b:N-W +mp-1001828,WN,-10.6286175,0.0186950775,0.5579608675000001,0.5579608675000001,GGA,F-43m,AB_cF8_216_a_c:N-W,2.0,AB_cF8_216_a_c:N-W +mp-569228,WN,-10.492906255,0.1544063225,0.6936721125,0.6936721125,GGA,Fm-3m,AB_cF8_225_a_b:N-W,2.0,AB_cF8_225_a_b:N-W +mp-1247323,ReWN3,-10.1529377205,-0.0705092825,0.3067575302,0.3067575302,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-Re-W,20.0,A3BC_aP20_2_6i_2i_2i:N-Re-W +mp-672264,WN18,-8.3601185324,0.2196203561,0.3047675861,0.3047675861,GGA,P-3,A18B_hP38_147_6g_d:N-W,38.0,"Invalid WP multiplicities - A18B_hP38_147_31g_d:N-W, expected WN93 to be WN18" +mp-674509,W43N38,-10.8154714175,-0.0255157751,0.4804620032,0.4804620032,GGA,Cm,A38B43_mC162_8_38a_43a:N-W,81.0,A38B43_mC162_8_38a_43a:N-W +mp-1208477,WN6,-6.8174045729,2.1793239671,2.4104378771,2.4104378771,GGA,Cmmm,A6B_oC14_65_kp_a:N-W,7.0,A6B_oC14_65_kp_a:N-W +mp-1407329,WN2,-10.2112084917,-0.334168465,0.205097325,0.205097325,GGA,C2/m,A2B_mC12_12_2i_i:N-W,6.0,A2B_mC12_12_2i_i:N-W +mp-1101178,WN2,-10.2921802333,-0.4151402067,0.1241255833,0.1241255833,GGA,C2/m,A2B_mC24_12_4i_2i:N-W,12.0,"Invalid WP multiplicities - A2B_mC24_12_7i_3i:N-W, expected W3N7 to be WN2" +mp-776343,WN2,-10.2285907383,-0.3515507117,0.1877150783,0.1877150783,GGA,P2_1/c,A2B_mP36_14_6e_3e:N-W,36.0,"Invalid WP multiplicities - A2B_mP36_14_22e_9e:N-W, expected W9N22 to be WN2" +mp-754628,WN2,-10.3249539233,-0.4479138967,0.0913518933,0.0913518933,GGA,Pna2_1,A2B_oP12_33_2a_a:N-W,12.0,"Invalid WP multiplicities - A2B_oP12_33_6a_a:N-W, expected WN6 to be WN2" +mp-755880,WN2,-10.2671492892,-0.3901092625,0.1491565275,0.1491565275,GGA,Pbca,A2B_oP24_61_2c_c:N-W,24.0,"Invalid WP multiplicities - A2B_oP24_61_5c_c:N-W, expected WN5 to be WN2" +mp-776321,WN2,-10.2692983158,-0.3922582892,0.1470075008,0.1470075008,GGA,P4_2/n,A2B_tP24_86_2g_g:N-W,24.0,"Invalid WP multiplicities - A2B_tP24_86_3g_g:N-W, expected WN3 to be WN2" +mp-1101173,WN2,-10.3256304867,-0.44859046,0.09067533,0.09067533,GGA,I-42d,A2B_tI12_122_d_a:N-W,6.0,A2B_tI12_122_d_a:N-W +mp-982734,WN2,-10.1905733183,-0.3135332917,0.2257324983,0.2257324983,GGA,P4_2/mnm,A2B_tP6_136_f_a:N-W,6.0,A2B_tP6_136_f_a:N-W +mp-1101174,WN2,-10.216047565,-0.3390075383,0.2002582517,0.2002582517,GGA,I4_1/amd,A2B_tI12_141_e_a:N-W,6.0,A2B_tI12_141_e_a:N-W +mp-754629,WN2,-10.3138341256,-0.4367940989,0.1024716911,0.1024716911,GGA,P3_121,A2B_hP9_152_c_a:N-W,9.0,A2B_hP9_152_c_a:N-W +mp-8101,WN2,-9.75509678,0.1219432467,0.6612090367,0.6612090367,GGA,R-3m,A2B_hR9_166_c_a:N-W,3.0,A2B_hR9_166_c_a:N-W +mp-2675163,WN2,-10.3301788144,-0.4531387878,0.0861270022,0.0861270022,GGA,P6_422,A2B_hP9_181_i_d:N-W,9.0,A2B_hP9_181_i_d:N-W +mp-999549,WN2,-10.3853652667,-0.50832524,0.03094055,0.03094055,GGA,P-6m2,A2B_hP3_187_h_a:N-W,3.0,A2B_hP3_187_h_a:N-W +mp-1077232,WN2,-10.38521008,-0.5081700533,0.0310957367,0.0310957367,GGA,P6_3/mmc,A2B_hP6_194_e_c:N-W,6.0,A2B_hP6_194_e_c:N-W +mp-1101975,WN2,-9.7652602292,0.1117797975,0.6510455875000001,0.6510455875000001,GGA,Pa-3,A2B_cP12_205_c_a:N-W,12.0,A2B_cP12_205_c_a:N-W +mp-2679804,WN2,-10.3531620708,-0.4761220442,0.0631437458,0.0631437458,GGA,Fd-3m,A2B_cF24_227_c_a:N-W,12.0,A2B_cF24_227_c_a:N-W +mp-1215749,YUAl4,-5.70125995,-0.2445625428,0.1206293754,0.1206293754,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-U-Y,6.0,A4BC_cF24_216_e_a_c:Al-U-Y +mp-1187882,YU3,-9.5097430775,0.5754322083,0.5754322083,0.5754322083,GGA,I4/mmm,A3B_tI8_139_ad_b:U-Y,4.0,A3B_tI8_139_ad_b:U-Y +mp-505343,U(CoB)4,-7.7962947056,-0.4138226752,0.0261193304,0.0261193304,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-U,18.0,A4B4C_tP18_137_g_g_a:B-Co-U +mp-619,UB4,-8.1098149525,-0.5080195338,0.0,-0.0853291237,GGA,P4/mbm,A4B_tP20_127_egi_h:B-U,20.0,A4B_tP20_127_egi_h:B-U +mp-10056,UCo3B2,-8.1042725067,-0.4417480172,0.0,-0.0440149299,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-U,6.0,A2B3C_hP6_191_c_g_a:B-Co-U +mp-1103581,UCo4B,-8.0104611025,-0.2764489424,0.0268431321,0.0268431321,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-U,12.0,AB4C_hP12_191_c_di_ab:B-Co-U +mp-1191070,UCoB4,-8.02640542,-0.5068562719,0.0,-0.0151117406,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-U,24.0,A4BC_oP24_55_4h_g_g:B-Co-U +mp-541853,U2(Co7B2)3,-7.5836837486,-0.2756201507,0.0,-0.0373688809,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-U,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-U +mp-1514,UB2,-8.8009065467,-0.5841753628,0.0,-0.1608257512,GGA,P6/mmm,A2B_hP3_191_c_b:B-U,3.0,A2B_hP3_191_c_b:B-U +mp-22319,UB12,-7.3077897815,-0.2736273769,0.0,-0.0782352485,GGA,Fm-3m,A12B_cF52_225_h_b:B-U,13.0,A12B_cF52_225_h_b:B-U +mp-505344,U3Co7B2,-8.4463661746,-0.3637629965,0.0,-0.0203095688,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Co-U,24.0,A2B7C3_hP24_194_bc_ak_df:B-Co-U +mp-1245642,Y2CrN3,-9.3255216892,-1.3929426106,0.0824678592,0.0824678592,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Cr-N-Y,24.0,AB3C2_mC48_15_f_2e2f_2f:Cr-N-Y +mp-1245636,Y2CrN3,-9.3260539267,-1.3934748481,0.0819356217,0.0819356217,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Y,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Y +mp-1245561,YCrN2,-9.2422549502,-1.0441278418,0.2353141898,0.2353141898,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cr-N-Y,64.0,AB2C_oP64_61_2c_4c_2c:Cr-N-Y +mp-1228652,B8O,-7.0906864752,-0.6038172665,0.0226472367,0.0226472367,GGA,Pm,A8B_mP27_6_4a4b8c_2ab:B-O,27.0,"Invalid WP multiplicities - A8B_mP27_6_4a4b16c_2ab:B-O, expected B40O3 to be B8O" +mp-1228685,B8O,-7.0912714478,-0.6044022391,0.0220622641,0.0220622641,GGA,Cm,A8B_mC54_8_8a8b_3a:B-O,27.0,"Invalid WP multiplicities - A8B_mC54_8_8a16b_3a:B-O, expected B40O3 to be B8O" +mp-530033,B8O,-7.0911783115,-0.6043091028,0.0221554004,0.0221554004,GGA,P2_1/m,A8B_mP54_11_8e8f_3e:B-O,54.0,"Invalid WP multiplicities - A8B_mP54_11_16e22f_5e:B-O, expected B12O to be B8O" +mp-758933,B8O,-7.0873576596,-0.600488451,0.0259760522,0.0259760522,GGA,C2/m,A8B_mC108_12_4i10j_ij:B-O,54.0,"Invalid WP multiplicities - A8B_mC108_12_8i40j_2ij:B-O, expected B22O to be B8O" +mp-540900,B2PdO4,-7.6876102212,-2.2125501931,0.012453169,0.012453169,GGA,I-42d,A2B4C_tI84_122_de_2d2e_ad:B-O-Pd,42.0,A2B4C_tI84_122_de_2d2e_ad:B-O-Pd +mp-758800,B84O11,-7.1119438509,-0.6331808554,0.0196611005,0.0196611005,GGA,P1,A84B11_aP95_1_84a_11a:B-O,95.0,A84B11_aP95_1_84a_11a:B-O +mp-851576,B84O11,-3.8917950576,2.5869679379,3.2398098939,3.2398098939,GGA,P1,A84B11_aP95_1_84a_11a:B-O,95.0,A84B11_aP95_1_84a_11a:B-O +mp-1245025,B2O3,-8.3754198068,-2.7356498717,0.0631698145,-1.8471992694,GGA,P1,A2B3_aP100_1_40a_60a:B-O,100.0,A2B3_aP100_1_40a_60a:B-O +mp-1245057,B2O3,-8.2917841568,-2.6520142217,0.1468054645,-1.7635636194000002,GGA,P1,A2B3_aP100_1_40a_60a:B-O,100.0,A2B3_aP100_1_40a_60a:B-O +mp-1245185,B2O3,-8.3301478657,-2.6903779306,0.1084417556,-1.8019273283,GGA,P1,A2B3_aP100_1_40a_60a:B-O,100.0,A2B3_aP100_1_40a_60a:B-O +mp-1245212,B2O3,-8.3164951962,-2.6767252611,0.1220944251,-1.7882746588,GGA,P1,A2B3_aP100_1_40a_60a:B-O,100.0,A2B3_aP100_1_40a_60a:B-O +mp-1245270,B2O3,-8.3100190305,-2.6702490954,0.1285705908,-1.7817984931000002,GGA,P1,A2B3_aP100_1_40a_60a:B-O,100.0,A2B3_aP100_1_40a_60a:B-O +mp-717,B2O3,-8.412938683,-2.7731687479,0.0256509383,-1.8847181456,GGA,Cmc2_1,A2B3_oC20_36_b_ab:B-O,10.0,A2B3_oC20_36_b_ab:B-O +mp-306,B2O3,-8.4385896213,-2.7988196862,0.0,-1.910369084,GGA,P3_121,A2B3_hP15_152_c_ac:B-O,15.0,"Invalid WP multiplicities - A2B3_hP15_152_c_a2c:B-O, expected B2O5 to be B2O3" +mp-32715,B36O5,-7.1391842198,-0.6710977001,0.0164852912,0.0164852912,GGA,P-1,A36B5_aP82_2_36i_5i:B-O,82.0,"Invalid WP multiplicities - A36B5_aP82_2_71i_8i:B-O, expected B71O8 to be B36O5" +mp-1346,B6O,-7.2373171236,-0.8054543612,0.0,-0.0413075947,GGA,R-3m,A6B_hR42_166_2h_c:B-O,14.0,A6B_hR42_166_2h_c:B-O +mp-1183242,BPdO3,-5.8971810520000005,-0.5573131091,1.2187017237,1.2187017237,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Pd,5.0,AB3C_cP5_221_b_c_a:B-O-Pd +mp-614006,B2O,-6.8132619033,-0.711437819,0.9245854276,0.9245854276,GGA,P-3m1,A2B_hP6_164_cd_d:B-O,6.0,"Invalid WP multiplicities - A2B_hP6_164_2c2d_d:B-O, expected B4O to be B2O" +mp-1214764,BO3,-6.29554822,-0.9156837439,0.8335785601,0.8335785601,GGA,P-1,AB3_aP16_2_2i_6i:B-O,16.0,AB3_aP16_2_2i_6i:B-O +mp-1192099,BO3,-6.2941405113,-0.9142760351,0.8349862688,0.8349862688,GGA,P3_2,AB3_hP24_145_2a_6a:B-O,24.0,AB3_hP24_145_2a_6a:B-O +mp-29035,Sr(YS2)2,-6.8679963693,-2.4153913482,0.0,-0.03391512,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:S-Sr-Y,28.0,A4BC2_oP28_62_4c_c_2c:S-Sr-Y +mp-35746,Sr(YS2)2,-6.7959895836,-2.3433845625,0.0720067857,0.0380916657,GGA,I-42d,A4BC2_tI28_122_e_a_d:S-Sr-Y,14.0,A4BC2_tI28_122_e_a_d:S-Sr-Y +mp-15670,Y5S7,-7.4720673067,-2.3647752538,0.0,-0.0105080275,GGA,C2/m,A7B5_mC24_12_a3i_d2i:S-Y,12.0,"Invalid WP multiplicities - A7B5_mC24_12_a4i_c2i:S-Y, expected Y5S9 to be Y5S7" +mp-16228,YS2,-5.30370398,-0.3905803643,1.589453222,1.589453222,GGA,Fd-3m,A2B_cF24_227_c_b:S-Y,6.0,A2B_cF24_227_c_b:S-Y +mp-22562,YS,-7.340023405,-2.0385629149,0.206838925,-0.0116126974,GGA,I4/mmm,AB_tI8_139_e_e:S-Y,4.0,AB_tI8_139_e_e:S-Y +mp-1534,YS,-7.54686233,-2.2454018399,0.0,-0.2184516224,GGA,Fm-3m,AB_cF8_225_a_b:S-Y,2.0,AB_cF8_225_a_b:S-Y +mp-541289,Y2S3,-7.444498669,-2.3760403035,0.0,-0.1058560599,GGA,P2_1/m,A3B2_mP30_11_9e_6e:S-Y,30.0,A3B2_mP30_11_9e_6e:S-Y +mp-1188645,Y2S3,-7.434440575,-2.3659822095,0.010058094,-0.0957979659,GGA,Pnma,A3B2_oP20_62_3c_2c:S-Y,20.0,A3B2_oP20_62_3c_2c:S-Y +mp-32891,Y2S3,-7.4087828123,-2.3403244468,0.0357158567,-0.0701402032,GGA,I-42d,A3B2_tI80_122_3e_cde:S-Y,40.0,"Invalid WP multiplicities - A3B2_tI80_122_16e_4c3d5e:S-Y, expected Y17S32 to be Y2S3" +mp-38971,Eu(YS2)2,-8.0398589893,-2.3633242044,0.0216921257,0.0216921257,GGA,I-42d,AB4C2_tI28_122_a_e_d:Eu-S-Y,14.0,AB4C2_tI28_122_a_e_d:Eu-S-Y +mp-1215435,Zr2BN,-9.2270951225,-1.1992731335,0.1366394962,0.1366394962,GGA,R-3m,ABC2_hR12_166_a_b_c:B-N-Zr,4.0,ABC2_hR12_166_a_b_c:B-N-Zr +mp-1246929,Zr4BN3,-9.8163677275,-1.5814078443,0.0166225794,0.0166225794,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:B-N-Zr,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:B-N-Zr, expected Zr7BN3 to be Zr4BN3" +mp-27928,Ge2S3I2,-4.1753944396,-0.6608032953,0.0,-0.0100865253,GGA,P-3,A2B2C3_hP28_147_dg_dg_2g:Ge-I-S,28.0,"Invalid WP multiplicities - A2B2C3_hP28_147_2d3g_d2g_3g:Ge-I-S, expected Ge11S9I7 to be Ge2S3I2" +mp-558896,Yb3(SF2)2,-5.7046005111,-3.4226404618,0.1374644467,0.1374644467,GGA,I4/mmm,A4B2C3_tI18_139_g_e_ae:F-S-Yb,,"Invalid WP multiplicities - A4B2C3_tI18_139_g_e_a2e:F-S-Yb, expected Yb5(SF2)2 to be Yb3(SF2)2" +mp-1203812,SF4,-4.3539803558,-1.9975072084,0.0,-0.0324792233,GGA,P2_12_12_1,A4B_oP40_19_8a_2a:F-S,40.0,A4B_oP40_19_8a_2a:F-S +mp-33107,SF4,-3.914900064,-1.5584269166,0.4390802918,0.4066010685,GGA,I-42m,A4B_tI10_121_i_a:F-S,5.0,A4B_tI10_121_i_a:F-S +mp-642824,SF6,-4.3278667957,-2.0985348426,0.0068522843,-0.6717439795,GGA,P-1,A6B_aP21_2_9i_ai:F-S,21.0,A6B_aP21_2_9i_ai:F-S +mp-975,SF6,-4.3333536181,-2.104021665,0.0013654619,-0.6772308018000001,GGA,C2/m,A6B_mC42_12_3i3j_ai:F-S,21.0,"Invalid WP multiplicities - A6B_mC42_12_3i5j_ai:F-S, expected S3F26 to be SF6" +mp-8652,SF6,-4.332850259,-2.1035183059,0.001868821,-0.6767274428000001,GGA,P-3m1,A6B_hP21_164_3i_ad:F-S,21.0,"Invalid WP multiplicities - A6B_hP21_164_4i_ad:F-S, expected SF8 to be SF6" +mp-8560,SF6,-4.33471908,-2.1053871269,0.0,-0.6785962637,GGA,Im-3m,A6B_cI14_229_e_a:F-S,7.0,A6B_cI14_229_e_a:F-S +mp-1207509,YbSF,-4.9372118608,-2.4080328227,0.6984676150000001,0.6984676150000001,GGA,P6_3/mmc,ABC_hP12_194_bc_f_ad:F-S-Yb,,ABC_hP12_194_bc_f_ad:F-S-Yb +mp-1077525,U2S,-9.0529537083,-0.1465304127,0.936079665,0.936079665,GGA,P-1,AB2_aP6_2_i_2i:S-U,6.0,"Invalid WP multiplicities - AB2_aP6_2_i_3i:S-U, expected U3S to be U2S" +mp-22536,U3S5,-8.5759338375,-1.756373917,0.0,-0.0065856709,GGA,Pnma,A5B3_oP32_62_3cd_cd:S-U,32.0,A5B3_oP32_62_3cd_cd:S-U +mp-1190042,U3S5,-8.4168887144,-1.5973287938,0.1590451231,0.1524594522,GGA,I4/mcm,A5B3_tI32_140_bk_ah:S-U,16.0,A5B3_tI32_140_bk_ah:S-U +mp-1189264,UNiS3,-7.1772979235,-1.2811186654,0.0214443085,0.0214443085,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ni-S-U,20.0,AB3C_oP20_62_a_cd_c:Ni-S-U +mp-1194185,U2S5,-7.7386544275,-1.557930234,0.0206881696,0.0206881696,GGA,Pbcn,A5B2_oP28_60_c2d_d:S-U,28.0,A5B2_oP28_60_c2d_d:S-U +mp-2423,US,-9.337845055,-1.6239151166,0.0,-0.1435499996,GGA,Fm-3m,AB_cF8_225_a_b:S-U,2.0,AB_cF8_225_a_b:S-U +mp-672690,U2S3,-8.601478842,-1.6030449179,0.1733932225,0.126837239,GGA,Pnma,A3B2_oP20_62_3c_2c:S-U,20.0,"Invalid WP multiplicities - A3B2_oP20_62_8c_5c:S-U, expected U5S8 to be U2S3" +mp-22126,U2S3,-8.7748720645,-1.7764381404,0.0,-0.0465559835,GGA,Pnma,A3B2_oP20_62_3c_2c:S-U,20.0,A3B2_oP20_62_3c_2c:S-U +mp-685066,US2,-8.2213856487,-1.6999490674,0.005422688,-0.0345153262,GGA,C2,A2B_mC30_5_ab4c_a2c:S-U,15.0,"Invalid WP multiplicities - A2B_tI30_97_2c3k_a2j:S-U, expected U9S28 to be US2" +mp-1216920,US2,-8.216016296,-1.6945797148,0.0107920407,-0.0291459735,GGA,I422,A2B_tI30_97_ck_aj:S-U,15.0,A2B_tI30_97_ck_aj:S-U +mp-2849,US2,-8.2268083367,-1.7053717554,0.0,-0.0399380142,GGA,P-62m,A2B_hP9_189_fg_ad:S-U,9.0,A2B_hP9_189_fg_ad:S-U +mp-1192888,U8NiS17,-8.0684267988,-1.6672320105,0.0,-0.0434473878,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Ni-S-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Ni-S-U +mp-21063,U4S3,-9.3202754143,-1.0952768942,0.2966503486,0.2966503486,GGA,Pm-3m,A3B4_cP7_221_d_ac:S-U,7.0,"Invalid WP multiplicities - A3B4_cP7_221_d_a2c:S-U, expected U7S3 to be U4S3" +mp-1217564,U11S20,-8.3088874658,-1.633580774,0.0981146777,0.0981146777,GGA,P4,A20B11_tP31_75_2c4d_2ab2d:S-U,31.0,"Invalid WP multiplicities - A20B11_tP31_75_3c12d_2ab6d:S-U, expected US2 to be U11S20" +mp-673800,U11S20,-6.3690089618,0.3062977301,2.0379931818,2.0379931818,GGA,P4nc,A20B11_tP62_104_5c_ab2c:S-U,62.0,"Invalid WP multiplicities - A20B11_tP62_104_26c_2a2b12c:S-U, expected U27S52 to be U11S20" +mp-12406,US3,-7.4087432925,-1.4835533898,0.0,-0.1203644351,GGA,P2_1/m,A3B_mP8_11_3e_e:S-U,8.0,A3B_mP8_11_3e_e:S-U +mp-1200979,NpPS4,-6.7136225902,-0.8958089810000001,0.1828624296,0.1828624296,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Np-P-S,48.0,ABC4_tI96_142_ab_e_2g:Np-P-S +mp-1196815,Np(PS3)4,-5.6999955715,-0.7447962709,0.0,-0.0279636118,GGA,I4_1/a,AB4C12_tI68_88_a_f_3f:Np-P-S,34.0,AB4C12_tI68_88_a_f_3f:Np-P-S +mp-1419,S5N6,-5.9771861859,0.450197349,0.450197349,0.450197349,GGA,C2/c,A6B5_mC44_15_3f_e2f:N-S,22.0,A6B5_mC44_15_3f_e2f:N-S +mp-1246328,TaSN,-9.2307135858,-1.1204727785,0.1482430699,0.1482430699,GGA,P2_1/c,ABC_mP12_14_e_e_e:N-S-Ta,12.0,ABC_mP12_14_e_e_e:N-S-Ta +mp-1245990,TaSN,-9.232505785,-1.1222649777,0.1464508708,0.1464508708,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-S-Ta,6.0,ABC_tP6_129_a_c_c:N-S-Ta +mp-727931,S5N3,-5.3557761991,0.3556905646,0.3556905646,0.3556905646,GGA,Pnma,A3B5_oP32_62_cd_c2d:N-S,32.0,A3B5_oP32_62_cd_c2d:N-S +mp-1120742,S3N2,-5.371493425,0.4449744651,0.4449744651,0.4449744651,GGA,Pmn2_1,A2B3_oP10_31_b_ab:N-S,10.0,A2B3_oP10_31_b_ab:N-S +mp-1120744,S3N2,-5.370518749,0.4459491411,0.4459491411,0.4459491411,GGA,Pmn2_1,A2B3_oP10_31_b_ab:N-S,10.0,A2B3_oP10_31_b_ab:N-S +mp-1179622,SN,-5.70425188,0.5322205159,0.5322205159,0.5322205159,GGA,P-1,AB_aP4_2_i_i:N-S,4.0,AB_aP4_2_i_i:N-S +mp-684642,SN,-5.6866670058,0.5498053901000001,0.5498053901000001,0.5498053901000001,GGA,P2_1,AB_mP36_4_9a_9a:N-S,36.0,AB_mP36_4_17a_17a:N-S +mp-1173453,SN,-5.5139239878,0.7225484082,0.7225484082,0.7225484082,GGA,P2_1,AB_mP36_4_9a_9a:N-S,36.0,AB_mP36_4_17a_17a:N-S +mp-1173466,SN,-5.7277096833000005,0.5087627126,0.5087627126,0.5087627126,GGA,P2_1,AB_mP36_4_9a_9a:N-S,36.0,AB_aP36_1_18a_18a:N-S +mp-235,SN,-5.87336069,0.3631117059,0.3631117059,0.3631117059,GGA,P2_1/c,AB_mP8_14_e_e:N-S,8.0,AB_mP8_14_e_e:N-S +mp-236,SN,-5.72781681,0.5086555859,0.5086555859,0.5086555859,GGA,P2_1/c,AB_mP8_14_e_e:N-S,8.0,AB_mP8_14_e_e:N-S +mp-542738,SN,-5.8665073531,0.3699650428,0.3699650428,0.3699650428,GGA,P2_1/c,AB_mP32_14_4e_4e:N-S,32.0,AB_mP32_14_4e_4e:N-S +mp-1078816,SN,-5.4274461663,0.8090262297,0.8090262297,0.8090262297,GGA,P2_1/c,AB_mP8_14_e_e:N-S,8.0,AB_mP8_14_e_e:N-S +mp-555136,SN,-5.8662214197,0.3702509763,0.3702509763,0.3702509763,GGA,Pbcn,AB_oP32_60_2cd_2d:N-S,32.0,"Invalid WP multiplicities - AB_oP32_60_6c2d_11d:N-S, expected S11N5 to be SN" +mp-1196421,SN,-5.7554182563000005,0.4810541397,0.4810541397,0.4810541397,GGA,Pnma,AB_oP32_62_2cd_2d:N-S,32.0,AB_oP32_62_2cd_2d:N-S +mp-726332,SN,-5.1100199525,1.1264524434,1.1264524434,1.1264524434,GGA,P4/nmm,AB_tP4_129_a_c:N-S,4.0,AB_tP4_129_a_c:N-S +mp-728449,S7N,-4.4708594484,0.1905960507,0.1905960507,0.1905960507,GGA,Pnma,AB7_oP32_62_c_c3d:N-S,32.0,AB7_oP32_62_c_c3d:N-S +mp-1209413,S3N,-4.9275321359,0.2589289955,0.2589289955,0.2589289955,GGA,Pbca,AB3_oP64_61_2c_6c:N-S,64.0,AB3_oP64_61_2c_6c:N-S +mp-1205092,S3N,-4.8351831697000005,0.3512779617,0.3512779617,0.3512779617,GGA,Pnma,AB3_oP32_62_2c_3d:N-S,32.0,AB3_oP32_62_2c_3d:N-S +mp-2565,S2N,-5.2286024025,0.3078624837,0.3078624838,0.3078624838,GGA,P4_2nm,AB2_tP24_102_d_2cd:N-S,24.0,AB2_tP24_102_d_2cd:N-S +mp-1079018,TaS2N,-6.9300964937,0.1866965784,1.2537077983,1.2537077983,GGA,P6_3mc,AB2C_hP8_186_b_2b_a:N-S-Ta,8.0,AB2C_hP8_186_b_2b_a:N-S-Ta +mp-1208549,TaS2N,-6.9398203763,0.1769726959,1.2439839158,1.2439839158,GGA,P6_3mc,AB2C_hP8_186_b_2a_b:N-S-Ta,8.0,AB2C_hP8_186_b_2a_b:N-S-Ta +mp-1188683,NdBS3,-6.318623375,-1.5472456142,0.000999158,0.000999158,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:B-Nd-S,20.0,ABC3_oP20_33_a_a_3a:B-Nd-S +mp-6940,U2IrC2,-10.317328722,-0.341611685,0.0,-0.0717304928,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Ir-U,5.0,A2BC2_tI10_139_e_a_e:C-Ir-U +mp-567492,Ce2WC2,-8.930707747,-0.274379842,0.0,-0.1039515763,GGA,P4_2/mnm,A2B2C_tP20_136_ce_j_f:C-Ce-W,20.0,"Invalid WP multiplicities - A2B2C_tP20_136_2c2e_j_f:C-Ce-W, expected Ce2WC4 to be Ce2WC2" +mp-1212572,GdWC2,-11.6135219656,-0.2406261019,0.0,-0.0601060084,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Gd-W,16.0,A2BC_oP16_62_2c_c_c:C-Gd-W +mp-1224191,HfWC2,-10.7705303075,-0.4273677462,0.1029184675,0.1029184675,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Hf-W,4.0,A2BC_hR12_166_c_a_b:C-Hf-W +mp-1245938,V2AgN3,-8.3198829244,-0.6515741047,0.2431065969,0.2431065969,GGA,P3_121,AB3C2_hP18_152_a_bc_c:Ag-N-V,18.0,AB3C2_hP18_152_a_bc_c:Ag-N-V +mp-1187719,V3Ag,-7.1486160525,0.3724525008,0.3724525008,0.3724525008,GGA,I4/mmm,AB3_tI8_139_a_bd:Ag-V,4.0,AB3_tI8_139_a_bd:Ag-V +mp-971703,V3Ag,-7.15048533,0.3705832233,0.3705832233,0.3705832233,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-V,4.0,AB3_cP4_221_a_c:Ag-V +mp-1206621,KYbI3,-3.25468716,-1.8406659046,0.011127262,0.011127262,GGA,Cmcm,A3BC_oC20_63_cf_c_a:I-K-Yb,,A3BC_oC20_63_cf_c_a:I-K-Yb +mp-976724,Hf(VH2)2,-6.3618085993,-0.4052506921,0.0,-0.0004514645,GGA,I4_1/a,A4BC2_tI28_88_f_a_d:H-Hf-V,14.0,A4BC2_tI28_88_f_a_d:H-Hf-V +mp-1207914,USnI6,-4.032210885,-1.0145633894,0.021457796,0.021457796,GGA,P-31c,A6BC_hP16_163_i_c_b:I-Sn-U,16.0,A6BC_hP16_163_i_c_b:I-Sn-U +mp-973,U2N3,-11.115994298,-1.597533339,0.0157946475,0.0157946475,GGA,P-3m1,A3B2_hP5_164_ad_d:N-U,5.0,A3B2_hP5_164_ad_d:N-U +mp-22387,U2N3,-11.1230403817,-1.6045794227,0.0087485638,0.0087485638,GGA,Ia-3,A3B2_cI80_206_e_ad:N-U,40.0,A3B2_cI80_206_e_ad:N-U +mp-32590,U4N7,-11.0691635657,-1.6581540643,0.0,-0.0479919549,GGA,I4cm,A7B4_tI88_108_3c2d_abcd:N-U,44.0,"Invalid WP multiplicities - A7B4_tI88_108_12c13d_2a2b4c5d:N-U, expected U8N19 to be U4N7" +mp-1865,UN,-11.30400874,-1.4900562725,0.0,-0.1529067535,GGA,Fm-3m,AB_cF8_225_a_b:N-U,2.0,AB_cF8_225_a_b:N-U +mp-1100774,U3N,-10.340500875,0.2121803638,0.9572085,0.9572085,GGA,Pm-3m,AB3_cP4_221_a_c:N-U,4.0,AB3_cP4_221_a_c:N-U +mp-32742,U16N25,-11.111965271,-1.6223327518,0.0030217434,0.0030217434,GGA,R3,A25B16_hR123_146_a8b_a5b:N-U,41.0,"Invalid WP multiplicities - A25B16_hR123_146_a20b_a13b:N-U, expected U40N61 to be U16N25" +mp-1776,UN2,-10.91776772,-1.5963011,0.0,-0.076326541,GGA,Fm-3m,A2B_cF12_225_c_a:N-U,3.0,A2B_cF12_225_c_a:N-U +mp-1224527,GdUN2,-12.1398347825,-1.6297042575,0.0,-0.0052403,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-N-U,4.0,AB2C_hR12_166_a_c_b:Gd-N-U +mp-1105105,I5N2,-2.6791304507,0.7551297779,0.8529382229,0.8529382229,GGA,P6_3mc,A5B2_hP14_186_abc_2b:I-N,14.0,A5B2_hP14_186_abc_2b:I-N +mp-1190039,I3N,-2.4155481794,0.7736003144,0.8591827037,0.8591827037,GGA,Pnma,A3B_oP16_62_3c_c:I-N,16.0,A3B_oP16_62_3c_c:I-N +mp-726322,I3N,-2.1807444575,1.0084040363,1.0939864256,1.0939864256,GGA,Pnma,A3B_oP16_62_3c_c:I-N,16.0,A3B_oP16_62_3c_c:I-N +mp-1056900,IN,-2.52115102,2.3837796175,2.5549443962,2.5549443962,GGA,Pm-3m,AB_cP2_221_a_b:I-N,2.0,AB_cP2_221_a_b:I-N +mp-1057979,IN,-3.08690107,1.8180295675,1.9891943462,1.9891943462,GGA,Fm-3m,AB_cF8_225_a_b:I-N,2.0,AB_cF8_225_a_b:I-N +mp-1103129,IN5,-5.3094456817,1.8831944808,2.1114141858,2.1114141858,GGA,P4/n,AB5_tP12_85_c_ag:I-N,12.0,AB5_tP12_85_c_ag:I-N +mp-1212113,I2N3,-4.4351713605,1.1560721345,1.361469869,1.361469869,GGA,P4/nmm,A2B3_tP20_129_j_di:I-N,20.0,A2B3_tP20_129_j_di:I-N +mp-1097011,IN2,-6.27562217,-0.22683677,0.001382935,0.001382935,GGA,I4/mcm,AB2_tI12_140_a_h:I-N,6.0,AB2_tI12_140_a_h:I-N +mp-1207164,IN2,-2.9515471117,3.0972382883,3.3254579933,3.3254579933,GGA,I4/mcm,AB2_tI12_140_a_h:I-N,6.0,AB2_oI12_72_a_j:I-N +mp-567441,HfIN,-8.2660025017,-1.6769857333,0.0,-0.0622038365,GGA,R-3m,ABC_hR18_166_c_c_c:Hf-I-N,6.0,ABC_hR18_166_c_c_c:Hf-I-N +mp-684692,IN3,-5.9702328156,0.6504799656,0.9072271338,0.9072271338,GGA,P-1,AB3_aP16_2_2i_6i:I-N,16.0,"Invalid WP multiplicities - AB3_aP16_2_4i_11i:I-N, expected I4N11 to be IN3" +mp-1212209,IN4,-5.8387495295,1.1251196805,1.3989833265,1.2612217425,GGA,P2_12_12_1,AB4_oP20_19_a_4a:I-N,20.0,AB4_oP20_19_a_4a:I-N +mp-1188721,IN4,-7.237732856,-0.273863646,0.0,-0.137761584,GGA,Pna2_1,AB4_oP20_33_a_4a:I-N,20.0,AB4_oP20_33_a_4a:I-N +mp-1210158,NiW3N,-10.657684931,-0.059480472,0.1997504585,0.1997504585,GGA,Pnma,ABC3_oP20_62_a_c_cd:N-Ni-W,20.0,ABC3_oP20_62_a_c_cd:N-Ni-W +mp-505341,Ni2W3N,-10.04748945,-0.2522962875,0.0,-0.0275969117,GGA,P4_132,AB2C3_cP24_213_a_c_d:N-Ni-W,24.0,AB2C3_cP24_213_a_c_d:N-Ni-W +mp-1246552,Ge3W5N9,-9.0686716932,-0.028189985,0.4858930839,0.4858930839,GGA,Cmce,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-W,68.0,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-W +mp-531952,KW3Br7,-5.7438999603,-1.1206283288,0.0,-0.0038294894,GGA,Pnnn,A7BC3_oP88_48_7m_abe_3m:Br-K-W,88.0,"Invalid WP multiplicities - A7BC3_oP88_48_25m_2a2b2e_9m:Br-K-W, expected K2W9Br25 to be KW3Br7" +mp-1185087,K3W,-2.5678453450000003,1.5044864227,1.5044864227,1.5044864227,GGA,I4/mmm,A3B_tI8_139_ad_b:K-W,4.0,A3B_tI8_139_ad_b:K-W +mp-973446,K3W,-2.57077684,1.5015549277,1.5015549277,1.5015549277,GGA,Fm-3m,A3B_cF16_225_ac_b:K-W,4.0,A3B_cF16_225_ac_b:K-W +mp-1215820,YUCo10,-7.5405412058,-0.1371196164,0.0,-0.0035640676,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-U-Y,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-U-Y, expected YUCo12 to be YUCo10" +mp-570800,U2MnN3,-10.8093789717,-1.3503256238,0.0,-0.0058856351,GGA,Immm,AB3C2_oI12_71_a_ce_e:Mn-N-U,6.0,AB3C2_oI12_71_a_ce_e:Mn-N-U +mp-1207913,UNbN2,-10.9903991044,-1.4739728794,0.0,-0.0922044697,GGA,Pnma,A2BC_oP16_62_2c_c_c:N-Nb-U,16.0,A2BC_oP16_62_2c_c_c:N-Nb-U +mp-1218969,SmYB12,-6.9497406557,-0.4256150487,0.0159290861,0.0159290861,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Sm-Y,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Sm-Y, expected SmYB32 to be SmYB12" +mp-1205212,B2F3,-6.1401174924,-2.3214734036,0.1683912705,0.1683912705,GGA,P2/c,A2B3_mP320_13_32g_48g:B-F,320.0,A2B3_mP320_13_32g_48g:B-F +mp-27896,BF3,-6.2156233222,-3.1121661539,0.0001646887,-1.1280799378,GGA,P-1,AB3_aP32_2_4i_12i:B-F,32.0,AB3_aP32_2_4i_12i:B-F +mp-558149,BF3,-6.2157880109,-3.1123308426,0.0,-1.1282446266,GGA,P2_1/c,AB3_mP32_14_2e_6e:B-F,32.0,"Invalid WP multiplicities - AB3_mP32_14_5e_20e:B-F, expected BF4 to be BF3" +mp-30936,B5F6,-6.1733214684,-2.0946094085,0.1689039316,0.1689039316,GGA,I4_1/a,A5B6_tI88_88_e2f_3f:B-F,44.0,A5B6_tI88_88_e2f_3f:B-F +mp-30935,B17F27,-6.1483489619,-2.3947218659,0.1517306417,0.1517306417,GGA,P-1,A17B27_aP88_2_17i_27i:B-F,88.0,A17B27_aP88_2_17i_27i:B-F +mp-8586,InBF4,-5.6875400862,-2.8413748578,0.0,-0.1365749967,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-In,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:B-F-In, expected InBF6 to be InBF4" +mp-27864,BF2,-6.1462315233,-2.6454482881,0.1210680165,0.1210680165,GGA,P2_1/c,AB2_mP12_14_e_2e:B-F,12.0,AB2_mP12_14_e_2e:B-F +mp-1221699,MnB4W3,-9.7350259687,-0.3907793356,0.0100860156,0.0100860156,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:B-Mn-W,8.0,A4BC3_oP8_25_abcd_a_bcd:B-Mn-W +mp-1221797,Mn3B4W,-8.832995935,-0.4377780363,0.0294678056,0.0294678056,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:B-Mn-W,8.0,A4B3C_mP8_6_2a2b_a2b_a:B-Mn-W +mp-1077988,Mn2B4W,-8.6969772586,-0.4113018446,0.0173515907,0.0173515907,GGA,Immm,A4B2C_oI14_71_ef_f_a:B-Mn-W,7.0,A4B2C_oI14_71_ef_f_a:B-Mn-W +mp-19789,Mn(BW)2,-10.101591107,-0.4141792483,0.0,-0.0568866875,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Mn-W,10.0,A2BC2_tP10_127_g_a_h:B-Mn-W +mp-2091,V3B2,-8.844793895,-0.7226935447,0.0,-0.044944921,GGA,P4/mbm,A2B3_tP10_127_g_ah:B-V,10.0,A2B3_tP10_127_g_ah:B-V +mp-1206441,V5B6,-8.60251022,-0.8301574041,0.0,-0.0010567273,GGA,Cmmm,A6B5_oC22_65_g2h_agh:B-V,11.0,A6B5_oC22_65_g2h_agh:B-V +mp-9208,V2B3,-8.439443763,-0.7982462725,0.0,-0.003454943,GGA,Cmcm,A3B2_oC20_63_3c_2c:B-V,10.0,A3B2_oC20_63_3c_2c:B-V +mp-9973,VB,-8.7288347,-0.8471857796000001,0.0,-0.0506108316,GGA,Cmcm,AB_oC8_63_c_c:B-V,4.0,AB_oC8_63_c_c:B-V +mp-1216395,VB4Os,-8.1353349383,-0.2971948411,0.1787305892,0.1787305892,GGA,P-6m2,A4BC_hP6_187_gh_a_d:B-Os-V,6.0,"Invalid WP multiplicities - A4BC_hP6_187_2gh_c_b:B-Os-V, expected VB6Os to be VB4Os" +mp-1491,VB2,-8.2197461933,-0.7388496561,0.0,-0.073644429,GGA,P6/mmm,A2B_hP3_191_c_b:B-V,3.0,A2B_hP3_191_c_b:B-V +mp-1188836,V5B3,-8.8018236887,-0.6196104809,0.0579147172,0.0579147172,GGA,I4/mcm,A3B5_tI32_140_ah_cl:B-V,16.0,A3B5_tI32_140_ah_cl:B-V +mp-569270,V3B4,-8.5286642314,-0.8187663324000001,0.0,-0.0038047052,GGA,Immm,A4B3_oI14_71_ef_af:B-V,7.0,A4B3_oI14_71_ef_af:B-V +mp-1216517,V3B100,-6.7811925527,-0.0317663848,0.0327932939,0.0327932939,GGA,P222,A100B3_oP103_16_abl24u_cj:B-V,103.0,"Invalid WP multiplicities - A100B3_oP103_16_abl72u_cj:B-V, expected V3B292 to be V3B100" +mp-12098,K(PRh)2,-6.069351698,-0.7362277579000001,0.0,-0.124658166,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:K-P-Rh,5.0,AB2C2_tI10_139_a_e_d:K-P-Rh +mp-7441,KP,-3.674296835,-0.4124461082,0.0,-0.0125043594,GGA,P2_12_12_1,AB_oP16_19_2a_2a:K-P,16.0,AB_oP16_19_2a_2a:K-P +mp-1057787,KP,-2.665066185,0.5967845418000001,1.00923065,0.9967262906,GGA,Immm,AB_oI4_71_a_b:K-P,2.0,AB_oI4_71_a_b:K-P +mp-1058315,KP,-2.66625555,0.5955951768000001,1.008041285,0.9955369256,GGA,R-3m,AB_hR6_166_a_b:K-P,2.0,AB_hR6_166_a_b:K-P +mp-1180622,KP,-2.6655737850000003,0.5962769418,1.00872305,0.9962186906,GGA,Fm-3m,AB_cF8_225_a_b:K-P,2.0,AB_cF8_225_a_b:K-P +mp-1568,K3P11,-4.8066357518,-0.3153840079,0.0,-0.0633268873,GGA,Pbcn,A3B11_oP56_60_cd_c5d:K-P,56.0,"Invalid WP multiplicities - A3B11_oP56_60_cd_c6d:K-P, expected K3P13 to be K3P11" +mp-28424,K4P3,-3.32818497,-0.3736844974,0.0,-0.0197889054,GGA,Cmcm,A4B3_oC28_63_acf_cf:K-P,14.0,A4B3_oC28_63_acf_cf:K-P +mp-1211471,KP15,-5.2455165556,-0.1011455214,0.0,-0.0091585191,GGA,P-1,AB15_aP32_2_i_15i:K-P,32.0,AB15_aP32_2_i_15i:K-P +mp-7897,K3P,-2.3936441388,-0.2075193018,0.0104633217,0.0104633217,GGA,P6_3/mmc,A3B_hP8_194_bf_c:K-P,8.0,A3B_hP8_194_bf_c:K-P +mp-664980,K2P3,-4.120146396,-0.4280053132,0.0086965875,-0.0495309401,GGA,P1,A2B3_aP20_1_8a_12a:K-P,20.0,A2B3_aP20_1_8a_12a:K-P +mp-8262,K2P3,-4.128690606,-0.4365495232,0.0001523775,-0.0580751501,GGA,Fmmm,A2B3_oF40_69_fg_hm:K-P,10.0,A2B3_oF40_69_fg_hm:K-P +mp-569857,K2P3,-4.1288429835,-0.4367019007,0.0,-0.0582275276,GGA,Fddd,A2B3_oF80_70_2e_fh:K-P,20.0,"Invalid WP multiplicities - A2B3_oF80_70_4e_3f4h:K-P, expected K4P11 to be K2P3" +mp-1245368,Y5(GeN3)3,-8.1636673963,-1.032497193,0.1679699237,0.1679699237,GGA,Cmce,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Y,68.0,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Y +mp-1245407,Y3Ge6N11,-7.6344487605,-0.6924975282,0.041153428,0.041153428,GGA,P4bm,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Y,40.0,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Y +mp-1183212,BAuO3,-5.260162976,-0.3014949951,1.3272232337,1.3272232337,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Au-B-O,5.0,ABC3_cP5_221_a_b_c:Au-B-O +mp-973877,PaBO3,-8.444989038,-2.2381645251,1.126952343,1.126952343,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Pa,5.0,AB3C_cP5_221_b_c_a:B-O-Pa +mp-862847,PaB3,-7.5889014575,-0.2006914644,0.0,-0.2006914644,GGA,P6_3/mmc,A3B_hP8_194_h_c:B-Pa,8.0,A3B_hP8_194_h_c:B-Pa +mp-1183052,AcBO3,-7.604279514,-2.4761529316,0.7924727447000001,0.7924727447000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-B-O,5.0,ABC3_cP5_221_a_b_c:Ac-B-O +mp-1076,KB6,-5.9101709871,-0.0263496197,0.0,-0.0263496197,GGA,Pm-3m,A6B_cP7_221_e_b:B-K,7.0,A6B_cP7_221_e_b:B-K +mp-631525,KHg2B,-1.2002214275,0.8990664345,1.1096980615,1.1096980615,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Hg-K,4.0,AB2C_cF16_216_a_bc_d:B-Hg-K +mp-685078,K11B62,-5.7049935581,0.1352349105,0.1613438944,0.1613438944,GGA,Pm,A62B11_mP73_6_40a11c_11b:B-K,73.0,"Invalid WP multiplicities - A62B11_mP73_6_40a22c_11b:B-K, expected K11B84 to be K11B62" +mp-684709,K3B17,-5.751901071,0.0921417763,0.1182718158,0.1182718158,GGA,I4/mmm,A17B3_tI80_139_5e3m_cg:B-K,40.0,"Invalid WP multiplicities - A17B3_tI80_139_8e15m_2c2g:B-K, expected K3B34 to be K3B17" +mp-1059907,KB,-1.80933995,2.0855554089,2.1009260204,2.1009260204,GGA,Fm-3m,AB_cF8_225_a_b:B-K,2.0,AB_cF8_225_a_b:B-K +mp-17727,MnB2F8,-6.5563618939,-3.1188500235,0.0,-0.0457919114,GGA+U,Pnma,A2B8C_oP44_62_2c_4c2d_c:B-F-Mn,44.0,"Invalid WP multiplicities - A2B8C_oP44_62_2c_7c4d_c:B-F-Mn, expected MnB2F15 to be MnB2F8" +mp-1181832,CoSI,-4.63585192,-0.396473916,0.0978290288,0.0978290288,GGA,Cm,ABC_mC6_8_a_a_a:Co-I-S,3.0,ABC_mC6_8_a_a_a:Co-I-S +mp-1062795,CoSI,-4.0775145467,0.1618634573,0.6561664021,0.6561664021,GGA,F-43m,ABC_cF12_216_c_a_b:Co-I-S,3.0,ABC_cF12_216_c_a_b:Co-I-S +mp-28929,DySI,-5.5344249367,-2.1288905844,0.0,-0.05985814,GGA,Pmmn,ABC_oP6_59_b_a_a:Dy-I-S,6.0,ABC_oP6_59_b_a_a:Dy-I-S +mp-1069533,Hf2SN2,-10.120039792,-1.9752762366,0.020991522,-0.0923944793,GGA,Immm,A2B2C_oI10_71_f_e_a:Hf-N-S,5.0,A2B2C_oI10_71_f_e_a:Hf-N-S +mp-1017567,Hf2SN2,-10.141031314,-1.9962677586,0.0,-0.1133860013,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Hf-N-S,5.0,A2B2C_hP5_164_d_d_a:Hf-N-S +mp-1197117,Pr4(YS2)11,-7.2586578578,-2.3598280649,0.0200929199,0.0200929199,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Pr-S-Y,37.0,A4B22C11_mC74_12_2i_11i_a5i:Pr-S-Y +mp-1188199,Pr(YS2)3,-7.286425758,-2.3865239284,0.0,-0.0155644235,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Pr-S-Y,20.0,AB6C3_mP20_11_e_6e_3e:Pr-S-Y +mp-1218062,Ta3WS8,-8.1108036942,-1.3088818563,0.017457645,0.017457645,GGA,Imm2,A8B3C_oI24_44_4c_ac_b:S-Ta-W,12.0,"Invalid WP multiplicities - A8B3C_oI24_44_7c_ac_b:S-Ta-W, expected Ta3WS14 to be Ta3WS8" +mp-1226610,CeY4S7,-7.3929979025,-2.3301543461,0.032758345,0.032758345,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Ce-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Ce-S-Y +mp-1199263,Ce4(YS2)11,-7.3618967678,-2.3385066074,0.0285855397,0.0285855397,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Ce-S-Y,37.0,A4B22C11_mC74_12_2i_11i_a5i:Ce-S-Y +mp-1006324,Ce(YS2)3,-7.3853754585,-2.3702552889,0.0,-0.0061088057,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Ce-S-Y,20.0,AB6C3_mP20_11_e_6e_3e:Ce-S-Y +mp-2270157,YAsS,-6.79675584,-1.7094093783000002,0.0,-0.045299945,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-Y,6.0,ABC_tP6_129_a_c_c:As-S-Y +mp-1216047,Y2AsS,-7.3618807,-1.9297530754,0.0,-0.03285631,GGA,R-3m,ABC2_hR12_166_a_b_c:As-S-Y,4.0,ABC2_hR12_166_a_b_c:As-S-Y +mp-1219505,Rh2W2C,-9.631008016,0.3437003225,0.53215735,0.53215735,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Rh-W,5.0,AB2C2_hR15_166_a_c_c:C-Rh-W +mp-1178768,Y5Ge3C,-6.9010297372,-0.7421292234,0.0119895345,0.0119895345,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Ge-Y,18.0,AB3C5_hP18_193_b_g_dg:C-Ge-Y +mp-1207615,YHfF7,-7.6189636239,-4.3074066332,0.0,-0.046556586,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Hf-Y,18.0,A7BC_mP18_4_7a_a_a:F-Hf-Y +mp-1188535,Y6NiI10,-4.9617618635,-1.4727838129,0.0,-0.0372683089,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Ni-Y,17.0,A10BC6_aP17_2_5i_a_3i:I-Ni-Y +mp-976802,KF2,-3.7704860133,-2.1260337193,0.0,-0.160316215,GGA,P4_2/mnm,A2B_tP6_136_f_a:F-K,6.0,A2B_tP6_136_f_a:F-K +mp-1095521,KF5,-2.7734801167,-0.9955144859,0.0675023738,0.0675023738,GGA,I4_1/a,A5B_tI24_88_af_b:F-K,12.0,A5B_tI24_88_af_b:F-K +mp-8454,KF,-4.3438388,-2.8328998427,0.10302068,-1.2383745533,GGA,Pm-3m,AB_cP2_221_a_b:F-K,2.0,AB_cP2_221_a_b:F-K +mp-463,KF,-4.44685948,-2.9359205227,0.0,-1.3413952333,GGA,Fm-3m,AB_cF8_225_a_b:F-K,2.0,AB_cF8_225_a_b:F-K +mp-542445,K2PaF7,-6.313376875,-3.8017953424,0.0,-2.5261751108,GGA,C2/c,A7B2C_mC40_15_e3f_f_e:F-K-Pa,20.0,A7B2C_mC40_15_e3f_f_e:F-K-Pa +mp-23257,IF5,-3.8181848712,-1.9797246732,0.0,-0.2809255216,GGA,C2/c,A5B_mC120_15_e12f_e2f:F-I,60.0,"Invalid WP multiplicities - A5B_mC120_15_e13f_e2f:F-I, expected I5F27 to be IF5" +mp-685157,IF7,-3.3399166175,-1.4832017272,0.2173318662,0.0015917778,GGA,P1,A7B_aP16_1_14a_2a:F-I,16.0,A7B_aP16_1_14a_2a:F-I +mp-685049,IF7,-3.5100756587,-1.6533607684,0.047172825,-0.1685672635,GGA,P222_1,A7B_oP32_17_ab6e_ab:F-I,32.0,"Invalid WP multiplicities - A7B_oP32_17_2a2b15e_2ab:F-I, expected I3F34 to be IF7" +mp-27988,IF7,-3.5572484837,-1.7005335934,0.0,-0.2157400885,GGA,Aea2,A7B_oC32_41_a3b_a:F-I,16.0,"Invalid WP multiplicities - A7B_oC32_41_2a7b_a:F-I, expected IF16 to be IF7" +mp-1184928,IF7,-3.5509963881,-1.6942814978,0.0062520956,-0.2094879929,GGA,Aea2,A7B_oC32_41_a3b_a:F-I,16.0,"Invalid WP multiplicities - A7B_oC32_41_2a10b_a:F-I, expected IF22 to be IF7" +mp-1207043,Tm2I2F,-3.974433484,-1.2124569812,0.7720510180000001,0.7720510180000001,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-I-Tm,5.0,AB2C2_tP5_123_a_g_g:F-I-Tm +mp-29848,IF3,-3.4972810812,-1.6953302681,0.0864219378,0.0864219378,GGA,Pnma,A3B_oP16_62_cd_c:F-I,16.0,A3B_oP16_62_cd_c:F-I +mp-1097616,TaVW2,-6.6275018325,5.0869842075,5.1814929669,5.1814929669,GGA,Immm,ABC2_oI8_71_a_b_e:Ta-V-W,4.0,ABC2_oI8_71_a_b_e:Ta-V-W +mp-1217284,ThUN2,-10.3922555125,-1.547690985,0.0735978975,0.0735978975,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Th-U,4.0,A2BC_tP4_123_ad_b_c:N-Th-U +mp-1218965,SmUN2,-9.7071704025,-1.5364239038,0.0371243575,0.0371243575,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Sm-U,4.0,A2BC_tP4_123_ad_b_c:N-Sm-U +mp-3821,K2PtF6,-4.6312832256,-2.4356382234,0.0,-0.2584240217,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Pt,9.0,A6B2C_hP9_164_i_d_a:F-K-Pt +mp-1219718,PrUN2,-9.5719081975,-1.3855817938,0.1561032125,0.0913860875,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Pr-U,4.0,A2BC_tP4_123_ad_b_c:N-Pr-U +mp-1219740,PrUN2,-9.72801141,-1.5416850063,0.0,-0.064717125,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Pr-U,4.0,A2BC_hR12_166_c_a_b:N-Pr-U +mp-23420,Ge19(PI)4,-4.4245446024,-0.1510555405,0.0,-0.0115026794,GGA,P-43n,A19B4C4_cP54_218_cei_ad_e:Ge-I-P,54.0,A19B4C4_cP54_218_cei_ad_e:Ge-I-P +mp-29996,La3PI3,-5.2029280075,-1.6827247401,0.0,-0.0427607761,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-P,28.0,A3B3C_cI56_214_h_g_a:I-La-P +mp-571647,La2PI2,-5.425857206,-1.7794473227,0.0,-0.0775804258,GGA,P-3m1,A2B2C_hP5_164_d_d_a:I-La-P,5.0,A2B2C_hP5_164_d_d_a:I-La-P +mp-569147,UP2,-8.172961625,-0.8002899506000001,0.0,-0.022925027,GGA,I4mm,A2B_tI24_107_2abc_2ab:P-U,12.0,A2B_tI24_107_2abc_2ab:P-U +mp-413,UP2,-8.1702060683,-0.7975343939,0.0027555567,-0.0201694703,GGA,P4/nmm,A2B_tP6_129_ac_c:P-U,6.0,A2B_tP6_129_ac_c:P-U +mp-865428,UP3,-7.4935023237,-0.6106729412,0.0,-0.0104554783,GGA,P6_3/mmc,A3B_hP8_194_h_c:P-U,8.0,A3B_hP8_194_h_c:P-U +mp-1207317,U2P3,-4.575965378,3.18858013,4.1061761475,4.1061761475,GGA,P4/mmm,A3B2_tP5_123_ag_g:P-U,5.0,A3B2_tP5_123_ag_g:P-U +mp-787,U3P4,-8.9003614829,-0.9678700462,0.0,-0.0717594321,GGA,I-43d,A4B3_cI28_220_c_a:P-U,14.0,A4B3_cI28_220_c_a:P-U +mp-2011,UP,-9.32033237,-0.9679761117,0.0,-0.1210898213,GGA,Fm-3m,AB_cF8_225_a_b:P-U,2.0,AB_cF8_225_a_b:P-U +mp-1208168,UP4,-4.537688212,2.0512357953,2.5397741483000003,2.5397741483000003,GGA,P4/mmm,A4B_tP5_123_2g_a:P-U,5.0,A4B_tP5_123_2g_a:P-U +mp-1217510,U6P13Rh20,-8.1539510295,-0.8358087206,0.0,-0.0452483069,GGA,P-3,A13B20C6_hP39_147_a2g_d3g_g:P-Rh-U,39.0,"Invalid WP multiplicities - A13B20C6_hP39_147_a4g_2d6g_g:P-Rh-U, expected U6(P5Rh8)5 to be U6P13Rh20" +mp-1208298,U6P13Rh20,-8.1474911523,-0.8293488434,0.0064598772,-0.0387884297,GGA,P-6,A13B20C6_hP39_174_a2j2k_cf3j3k_jk:P-Rh-U,39.0,A13B20C6_hP39_174_a2j2k_cf3j3k_jk:P-Rh-U +mp-16304,YPPt,-7.33572458,-1.3520889333,0.0,-0.1112862657,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Y,3.0,ABC_hP3_187_a_c_f:P-Pt-Y +mp-30190,UMo13P9,-9.2866420874,-0.5473123483,0.0025560615,0.0025560615,GGA,P-6m2,A13B9C_hP23_187_a2kl_j2k_c:Mo-P-U,23.0,"Invalid WP multiplicities - A13B9C_hP23_187_a3k2l_j3k_c:Mo-P-U, expected U(Mo11P6)2 to be UMo13P9" +mp-1187414,Th3W,-8.3490396875,0.4508865575,0.4508865575,0.4508865575,GGA,I4/mmm,A3B_tI8_139_ad_b:Th-W,4.0,A3B_tI8_139_ad_b:Th-W +mp-1102822,ThB4W,-8.3900614117,-0.5418021511000001,0.0,-0.023179974,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Th-W,12.0,A4BC_oC24_65_gip_h_j:B-Th-W +mp-21053,U(FeP3)4,-7.0242679741,-0.5459665076,0.0,-0.0112267846,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-U,17.0,A4B12C_cI34_204_c_g_a:Fe-P-U +mp-1204195,U6Fe30P19,-8.4414110011,-0.7195592922,0.0,-0.0237168407,GGA,P-6,A30B19C6_hP55_174_5j5k_a3j3k_jk:Fe-P-U,55.0,A30B19C6_hP55_174_5j5k_a3j3k_jk:Fe-P-U +mp-865419,U2Fe12P7,-8.4004828695,-0.6806641987000001,0.0,-0.0074364296,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-U,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-U +mp-570631,U(FeP)2,-8.6048503,-0.7932388113000001,0.0,-0.0074548328,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-P-U,5.0,A2B2C_tI10_139_d_e_a:Fe-P-U +mp-684934,U5O11,-10.5427574838,-3.6133433666,0.1229712872,0.1229712872,GGA,C2/m,A11B5_mC32_12_a5i_d2i:O-U,16.0,"Invalid WP multiplicities - A11B5_hR48_166_a10c_b4c:O-U, expected U3O7 to be U5O11" +mp-7830,UO,-10.728187425,-2.6091380644,0.2114283827,0.2114283827,GGA,Fm-3m,AB_cF8_225_a_b:O-U,2.0,AB_cF8_225_a_b:O-U +mp-673671,U11O5,-10.7338261363,-1.4251415321,0.3377124973,0.3377124973,GGA,P1,A5B11_aP16_1_5a_11a:O-U,16.0,A5B11_aP16_1_5a_11a:O-U +mp-1103007,UO11,-6.3031234075,-0.8277079214,0.3766699233,0.3766699233,GGA,P1,A11B_aP12_1_11a_a:O-U,12.0,A11B_aP12_1_11a_a:O-U +mp-1178875,UO11,-6.3942453825,-0.9188298964,0.2855479483,0.2855479483,GGA,P1,A11B_aP12_1_11a_a:O-U,12.0,A11B_aP12_1_11a_a:O-U +mp-687150,UO4,-8.736304402,-2.520671431,0.3698353963,0.3698353963,GGA,P2_1/c,A4B_mP10_14_2e_a:O-U,10.0,A4B_mP10_14_2e_a:O-U +mp-725199,UO4,-8.7380067885,-2.5223738175,0.3681330098,0.3681330098,GGA,Pbca,A4B_oP20_61_2c_a:O-U,20.0,A4B_oP20_61_2c_a:O-U +mp-1178853,UO4,-8.730646268000001,-2.515013297,0.3754935303,0.3754935303,GGA,Cmce,A4B_oC20_64_2f_a:O-U,10.0,A4B_oC20_64_2f_a:O-U +mp-1178842,UO4,-8.754418522,-2.538785551,0.3517212763,0.3517212763,GGA,I4/mmm,A4B_tI10_139_ce_a:O-U,5.0,A4B_tI10_139_ce_a:O-U +mp-752998,U3O5,-10.7545259212,-3.428566723,0.0971413359,0.0971413359,GGA,P3m1,A5B3_hP8_156_2a2bc_abc:O-U,8.0,A5B3_hP8_156_2a2bc_abc:O-U +mp-1193479,U3O11,-8.7632546146,-2.4569827679,0.6399888327000001,0.6399888327000001,GGA,Immm,A11B3_oI56_71_2ef2mo_em:O-U,28.0,A11B3_oI56_71_2ef2mo_em:O-U +mp-1102356,U3O8,-10.3842248482,-3.7071576009,0.0005631055,-0.0249791395,GGA,Amm2,A8B3_oC22_38_ab2de_ad:O-U,11.0,A8B3_oC22_38_ab2de_ad:O-U +mp-559906,U3O8,-10.3818627745,-3.7047955273,0.0029251791,-0.0226170658,GGA,Cmcm,A8B3_oC44_63_ace2g_cg:O-U,22.0,"Invalid WP multiplicities - A8B3_oC44_63_2a2c3e4g_2c2g:O-U, expected UO3 to be U3O8" +mp-560402,U3O8,-10.3795344882,-3.7024672409,0.0052534655,-0.0202887795,GGA,Cmcm,A8B3_oC44_63_acf2g_3c:O-U,22.0,"Invalid WP multiplicities - A8B3_oC44_63_2a2c4f8g_6c:O-U, expected U3O14 to be U3O8" +mp-698,U3O8,-10.3819690373,-3.70490179,0.0028189164,-0.0227233285,GGA,Cmmm,A8B3_oC22_65_achp_bg:O-U,11.0,"Invalid WP multiplicities - A8B3_oC22_65_ach2p_bg:O-U, expected UO4 to be U3O8" +mp-548170,U3O8,-10.1393147973,-3.46224755,0.2454731564,0.2199309115,GGA,P-31m,A8B3_hP11_162_dk_ac:O-U,11.0,"Invalid WP multiplicities - A8B3_hP11_162_2d2k_ac:O-U, expected U3O16 to be U3O8" +mp-308,U3O8,-10.3847879536,-3.7077207064,0.0,-0.0255422449,GGA,P-62m,A8B3_hP11_189_cfg_f:O-U,11.0,A8B3_hP11_189_cfg_f:O-U +mp-13836,U(RhO3)2,-8.4270817628,-2.2381753164,0.0,-0.0224367281,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Rh-U,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:O-Rh-U, expected U(RhO5)2 to be U(RhO3)2" +mp-1216910,U3O7,-10.403159861,-3.5530547601,0.1742732245,0.1742732245,GGA,Immm,A7B3_oI20_71_bfn_ag:O-U,10.0,"Invalid WP multiplicities - A7B3_oI20_71_b2f2n_ag:O-U, expected U3O13 to be U3O7" +mp-729279,U3O10,-9.5678101285,-3.1569549637,0.1782452216,0.1782452216,GGA,P-1,A10B3_aP13_2_5i_ai:O-U,13.0,A10B3_aP13_2_5i_ai:O-U +mp-1179123,U3O10,-9.4173459977,-3.0064908329,0.3287093524,0.3287093524,GGA,P2_1/c,A10B3_mP52_14_10e_3e:O-U,52.0,A10B3_mP52_14_10e_3e:O-U +mp-1200254,U3O10,-9.4650028852,-3.0541477204,0.2810524649,0.2810524649,GGA,P2_1/c,A10B3_mP52_14_10e_3e:O-U,52.0,A10B3_mP52_14_10e_3e:O-U +mp-728122,U3O10,-9.5563385385,-3.1454833737,0.1897168116,0.1897168116,GGA,P2_1/c,A10B3_mP52_14_10e_3e:O-U,52.0,A10B3_mP52_14_10e_3e:O-U +mp-684907,U12O19,-10.721824139,-3.3191142799,0.1383542682,0.1383542682,GGA,P3m1,A19B12_hP31_156_6a6b7c_4a4b4c:O-U,31.0,A19B12_hP31_156_6a6b7c_4a4b4c:O-U +mp-674332,U17O31,-10.8370091654,-3.6432316609,0.0,-0.0091671136,GGA,Cm,A31B17_mC96_8_31a_17a:O-U,48.0,A31B17_mC96_8_31a_17a:O-U +mp-1100983,U2O5,-10.2979694224,-3.5385031972,0.1785543083,0.1785543083,GGA,C2/m,A5B2_mC42_12_a7i_3i:O-U,21.0,"Invalid WP multiplicities - A5B2_mC42_12_a13i_5i:O-U, expected U10O27 to be U2O5" +mp-647814,U2O5,-10.4593938909,-3.6999276657,0.0171298398,0.0171298398,GGA,Pbam,A5B2_oP56_55_6g4h_4g:O-U,56.0,"Invalid WP multiplicities - A5B2_oP56_55_24g15h_11g:O-U, expected U11O39 to be U2O5" +mp-616580,UO3,-10.0117586095,-3.4788895736,0.1342439605,-0.0695003112,GGA,P2_1,A3B_mP40_4_15a_5a:O-U,40.0,"Invalid WP multiplicities - A3B_mP40_4_29a_10a:O-U, expected U10O29 to be UO3" +mp-684639,UO3,-9.364366501,-2.8314974651,0.781636069,0.5778917973000001,GGA,Pm,A3B_mP20_6_9a4bc_5a:O-U,20.0,"Invalid WP multiplicities - A3B_mP20_6_9a4b2c_5a:O-U, expected U5O17 to be UO3" +mp-21858,UO3,-10.0630246506,-3.5301556147,0.0829779194,-0.1207663523,GGA,P2_12_12_1,A3B_oP16_19_3a_a:O-U,16.0,A3B_oP16_19_3a_a:O-U +mp-233,UO3,-9.948929135,-3.4160600991,0.197073435,-0.0066708367,GGA,Cmmm,A3B_oC8_65_cg_b:O-U,4.0,"Invalid WP multiplicities - A3B_oC8_65_c2g_b:O-U, expected UO5 to be UO3" +mp-1198490,UO3,-10.0631818178,-3.5303127819,0.0828207522,-0.1209235195,GGA,Fddd,A3B_oF128_70_3h_ce:O-U,32.0,A3B_oF128_70_3h_ce:O-U +mp-294,UO3,-10.0638085041,-3.5309394681,0.0821940659,-0.1215502057,GGA,I4_1/amd,A3B_tI64_141_3h_ce:O-U,32.0,A3B_tI64_141_3h_ce:O-U +mp-8134,UO3,-10.032104095,-3.4992350591,0.113898475,-0.0898457967,GGA,P-3m1,A3B_hP4_164_ad_b:O-U,4.0,"Invalid WP multiplicities - A3B_hP4_164_a2d_b:O-U, expected UO5 to be UO3" +mp-375,UO3,-10.14600257,-3.6131335341,0.0,-0.2037442717,GGA,Pm-3m,A3B_cP4_221_c_b:O-U,4.0,A3B_cP4_221_c_b:O-U +mp-754893,U4O7,-10.7763630968,-3.5225030042,0.0673088376,0.0673088376,GGA,C2/c,A7B4_mC44_15_e3f_2f:O-U,22.0,"Invalid WP multiplicities - A7B4_mC44_15_2e8f_5f:O-U, expected U5O9 to be U4O7" +mp-642328,U13O34,-10.3955424132,-3.6939307895,0.0165710911,0.0165710911,GGA,Amm2,A34B13_oC94_38_ab10d6e_a6d:O-U,47.0,"Invalid WP multiplicities - A34B13_oC94_38_ab20d12e_a11d:O-U, expected U23O66 to be U13O34" +mp-761153,U6O11,-10.7927569912,-3.6067548804,0.0428332967,0.0428332967,GGA,Cm,A11B6_mC34_8_3a4b_2a2b:O-U,17.0,"Invalid WP multiplicities - A11B6_mC34_8_3a7b_2a3b:O-U, expected U8O17 to be U6O11" +mp-1072461,UO5,-7.8283278683,-1.8241856073,0.5845700821,0.5845700821,GGA,I4/m,A5B_tI12_87_ah_b:O-U,6.0,A5B_tI12_87_ah_b:O-U +mp-865305,UO2,-10.6870651533,-3.6254693425,0.1258230933,0.0350176242,GGA,P4_2/mnm,A2B_tP6_136_f_a:O-U,6.0,A2B_tP6_136_f_a:O-U +mp-1597,UO2,-10.8128882467,-3.7512924358,0.0,-0.0908054691,GGA,Fm-3m,A2B_cF12_225_c_a:O-U,3.0,A2B_cF12_225_c_a:O-U +mp-1206920,K(PIr)2,-6.563357354,-0.6405828899,0.0,-0.1863034556,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ir-K-P,5.0,A2BC2_tI10_139_d_a_e:Ir-K-P +mp-973524,HoVB4,-7.4519493708,-0.7213023669,0.0,-0.041061266,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-V,24.0,A4BC_oP24_55_4h_g_g:B-Ho-V +mp-1217340,ThUB8,-7.764104075,-0.5500638323,0.0146816773,0.0146816773,GGA,Cmmm,A8BC_oC40_65_gim2p_h_j:B-Th-U,20.0,"Invalid WP multiplicities - A8BC_oC40_65_gim3p_h_j:B-Th-U, expected ThUB10 to be ThUB8" +mp-1216792,V11ReB8,-9.0117488875,-0.7216174814,0.009393375,0.009393375,GGA,P2/m,A8BC11_mP20_10_4m_a_cm4n:B-Re-V,20.0,"Invalid WP multiplicities - A8BC11_mP20_10_8m_a_cm8n:B-Re-V, expected V19ReB16 to be V11ReB8" +mp-1216295,VRe11B4,-11.0384546206,-0.2452501089,0.0131948313,0.0131948313,GGA,Amm2,A4B11C_oC32_38_abc_a5c_b:B-Re-V,16.0,"Invalid WP multiplicities - A4B11C_oC32_38_abc_a9c_b:B-Re-V, expected VRe19B4 to be VRe11B4" +mp-1216475,V3ReB4,-9.0162214863,-0.7144949265,0.0095409829,0.0095409829,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:B-Re-V,8.0,A4BC3_oP8_25_abcd_a_bcd:B-Re-V +mp-1191051,UFeB4,-8.2885649238,-0.5420652065,0.0,-0.0082059929,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-U,24.0,A4BC_oP24_55_4h_g_g:B-Fe-U +mp-1207921,UFe4B,-8.81008941,-0.1682749732,0.0683143363,0.0683143363,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Fe-U,12.0,AB4C_hP12_191_c_di_ab:B-Fe-U +mp-1208129,U2(Fe7B2)3,-8.5273821,-0.2332574084,0.0051032724,0.0051032724,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Fe-U,29.0,A6B21C2_cF116_225_e_afh_c:B-Fe-U +mp-10065,UFe3B2,-8.7656677867,-0.4222915897,0.0,-0.0908080658,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Fe-U,6.0,A2B3C_hP6_191_c_g_a:B-Fe-U +mp-1087505,U(FeB3)2,-8.106843058900001,-0.5170871639,0.0,-0.0570280678,GGA,Immm,A6B2C_oI18_71_en_g_c:B-Fe-U,9.0,A6B2C_oI18_71_en_g_c:B-Fe-U +mp-1070916,AlBW,-8.0992309833,-0.3048650397,0.0,-0.0268992375,GGA,Cmcm,ABC_oC12_63_c_c_c:Al-B-W,6.0,ABC_oC12_63_c_c_c:Al-B-W +mp-561582,WSBr4,-4.8814705129,-0.9970216101,0.0,-0.0172890806,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Br-S-W,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:Br-S-W, expected WSBr13 to be WSBr4" +mp-706664,B10H13,-5.0044162933,-0.1827051501,0.0054891276,0.0054891276,GGA,P2_1/c,A10B13_mP184_14_20e_26e:B-H,184.0,A10B13_mP184_14_20e_26e:B-H +mp-776402,B10H13,-5.0033345259,-0.1816233827,0.006570895,0.006570895,GGA,Pbca,A10B13_oP184_61_10c_13c:B-H,184.0,"Invalid WP multiplicities - A10B13_oP184_61_37c_49c:B-H, expected B37H49 to be B10H13" +mp-29292,B10H13,-5.0043524683,-0.1826413251,0.0055529526,0.0055529526,GGA,I4_1cd,A10B13_tI368_110_10b_13b:B-H,184.0,"Invalid WP multiplicities - A10B13_tI368_110_10b_16b:B-H, expected B5H8 to be B10H13" +mp-706937,B9H11,-5.0581102866,-0.1863846649,0.0026213694,-0.0085984997,GGA,P2_1/c,A9B11_mP160_14_18e_22e:B-H,160.0,A9B11_mP160_14_18e_22e:B-H +mp-29654,B9H11,-5.060731656,-0.1890060344,0.0,-0.0112198691,GGA,Pccn,A9B11_oP160_56_9e_11e:B-H,160.0,"Invalid WP multiplicities - A9B11_oP160_56_9e_14e:B-H, expected B9H14 to be B9H11" +mp-29783,B5H9,-4.7303745502,-0.1638393174,0.0197736362,0.0197736362,GGA,P4_1,A5B9_tP112_76_10a_18a:B-H,112.0,A5B9_tP112_76_10a_18a:B-H +mp-1338697,B5H9,-4.7309134075,-0.1643781747,0.0192347789,0.0192347789,GGA,P4_3,A5B9_tP112_78_10a_18a:B-H,112.0,A5B9_tP112_78_10a_18a:B-H +mp-696597,B5H9,-4.7298186271,-0.1632833943,0.0203295593,0.0203295593,GGA,I4mm,A5B9_tI28_107_ad_acd:B-H,14.0,A5B9_tI28_107_ad_acd:B-H +mp-634117,BH3,-4.3786501481,-0.1642576717,0.0,-0.0073920316,GGA,P2_1/c,AB3_mP16_14_e_3e:B-H,16.0,AB3_mP16_14_e_3e:B-H +mp-23691,Tl(BH)6,-5.1358884554,-0.3054769137,0.0,-0.1468704513,GGA,Fm-3,A6B6C_cF104_202_h_h_c:B-H-Tl,26.0,A6B6C_cF104_202_h_h_c:B-H-Tl +mp-30529,B5H11,-4.5785166191,-0.1587075347,0.0221942087,0.0221942087,GGA,P2_1/c,A5B11_mP64_14_5e_11e:B-H,64.0,"Invalid WP multiplicities - A5B11_mP64_14_5e_14e:B-H, expected B5H14 to be B5H11" +mp-27990,B2H5,-4.5110484125,-0.1792750173,0.0,-0.0100951537,GGA,P2_1/c,A2B5_mP56_14_4e_10e:B-H,56.0,A2B5_mP56_14_4e_10e:B-H +mp-569405,B3H5,-4.7983104024,-0.1730847102,0.0116127275,0.0116127275,GGA,P2_1/c,A3B5_mP96_14_9e_15e:B-H,96.0,"Invalid WP multiplicities - A3B5_mP96_14_33e_56e:B-H, expected B33H56 to be B3H5" +mp-29721,B3H5,-4.771652045,-0.1464263528,0.0382710849,0.0382710849,GGA,Cmc2_1,A3B5_oC64_36_2a2b_2a4b:B-H,32.0,"Invalid WP multiplicities - A3B5_oC64_36_2a2b_2a5b:B-H, expected BH2 to be B3H5" +mp-27200,B13H19,-4.887916146,-0.1599821499,0.026613135,0.026613135,GGA,P2_1/c,A13B19_mP128_14_13e_19e:B-H,128.0,"Invalid WP multiplicities - A13B19_mP128_14_13e_22e:B-H, expected B13H22 to be B13H19" +mp-1238837,BH,-5.1107450119,-0.074686104,0.0971375637,0.0971375637,GGA,C2/c,AB_mC96_15_6f_6f:B-H,48.0,AB_mC96_15_6f_6f:B-H +mp-27820,B7H10,-4.900997662,-0.1549386711,0.031991528,0.031991528,GGA,P2_12_12_1,A7B10_oP136_19_14a_20a:B-H,136.0,"Invalid WP multiplicities - A7B10_oP136_19_14a_23a:B-H, expected B14H23 to be B7H10" +mp-29611,B5H8,-4.8094052653,-0.152577018,0.0327043726,0.0327043726,GGA,Pna2_1,A5B8_oP104_33_10a_16a:B-H,104.0,"Invalid WP multiplicities - A5B8_oP104_33_10a_19a:B-H, expected B10H19 to be B5H8" +mp-27876,B2H3,-4.8590374036,-0.1516450683,0.0345706471,0.0345706471,GGA,Pbca,A2B3_oP160_61_8c_12c:B-H,160.0,"Invalid WP multiplicities - A2B3_oP160_61_8c_15c:B-H, expected B8H15 to be B2H3" +mp-27798,B4H5,-5.0298221959,-0.1763558283,0.0123538504,0.0123538504,GGA,P2_1/c,A4B5_mP144_14_16e_20e:B-H,144.0,"Invalid WP multiplicities - A4B5_mP144_14_16e_23e:B-H, expected B16H23 to be B4H5" +mp-1183667,B4H5,-5.0258453359,-0.1723789683,0.0163307104,0.0163307104,GGA,P2_1/c,A4B5_mP144_14_16e_20e:B-H,144.0,A4B5_mP144_14_16e_20e:B-H +mp-706630,B5H7,-4.949397998,-0.1872279006,0.0,-0.0001962755,GGA,P2/c,A5B7_mP96_13_10g_14g:B-H,96.0,A5B7_mP96_13_10g_14g:B-H +mp-1201949,B5H4,-5.0459424494,0.1727089989,0.3254411479,0.3254411479,GGA,I4_1/acd,A5B4_tI288_142_5g_4g:B-H,144.0,A5B4_tI288_142_5g_4g:B-H +mp-1215169,ZrVW,-10.2813479817,-0.084769005,0.0,-0.0118382067,GGA,Imma,ABC_oI12_74_a_c_e:V-W-Zr,6.0,ABC_oI12_74_a_c_e:V-W-Zr +mp-989403,LaVN3,-9.060196034,-1.254316444,0.034311582,0.034311582,GGA,P1,AB3C_aP10_1_2a_6a_2a:La-N-V,10.0,AB3C_aP10_1_2a_6a_2a:La-N-V +mp-31054,La3(VN3)2,-9.0581982991,-1.5132162077,0.0,-0.1531521955,GGA,I4/mmm,A3B6C2_tI22_139_ae_eg_e:La-N-V,11.0,A3B6C2_tI22_139_ae_eg_e:La-N-V +mp-1246247,V2Pb3N4,-7.2113731569,-0.2500694847,0.3463843164,0.3463843164,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Pb-V,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Pb-V +mp-1245769,V(PbN)3,-6.4561329114,0.0054859536,0.38892054,0.38892054,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Pb-V,14.0,A3B3C_hP14_176_h_h_c:N-Pb-V +mp-1246993,V(PbN)4,-6.3555599794,0.0089371372,0.3071640378,0.3071640378,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Pb-V,18.0,A4B4C_aP18_2_4i_4i_i:N-Pb-V +mp-1246122,V2PbN4,-8.4193049921,-0.5298137193,0.2370554536,0.2370554536,GGA,Pa-3,A4BC2_cP84_205_2d_ac_d:N-Pb-V,84.0,A4BC2_cP84_205_2d_ac_d:N-Pb-V +mp-1246026,V3Pb3N5,-7.6931450964,-0.4138601832,0.3181512999999999,0.3181512999999999,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-V,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-V +mp-1245652,VPb2N3,-7.1950362708,-0.27525544,0.1720849108,0.1720849108,GGA,Cmc2_1,A3B2C_oC24_36_ab_b_a:N-Pb-V,12.0,A3B2C_oC24_36_ab_b_a:N-Pb-V +mp-1245619,VPb2N3,-7.1192540713,-0.1994732404,0.2478671104,0.2478671104,GGA,Cmce,A3B2C_oC48_64_e2f_2f_f:N-Pb-V,24.0,A3B2C_oC48_64_e2f_2f_f:N-Pb-V +mp-30830,V3Pb,-7.4932776975,0.2478136225,0.2478136225,0.2478136225,GGA,Pm-3n,AB3_cP8_223_a_c:Pb-V,8.0,AB3_cP8_223_a_c:Pb-V +mp-1216177,Y4UPd15,-6.5597978065,-0.8170217258,0.0,-0.0062762835,GGA,P4/mmm,A15BC4_tP20_123_ae2g2i_c_2h:Pd-U-Y,20.0,"Invalid WP multiplicities - A15BC4_tP20_123_a2e3g7i_c_3h:Pd-U-Y, expected Y6UPd39 to be Y4UPd15" +mp-1215718,YUPd6,-6.8387343362,-0.7340878383,0.0,-0.020473414,GGA,P4/mmm,A6BC_tP8_123_abi_c_d:Pd-U-Y,8.0,A6BC_tP8_123_abi_c_d:Pd-U-Y +mp-1225554,DyUN2,-9.8169965925,-1.6741999175000002,0.0101944325,0.0101944325,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-N-U,4.0,AB2C_hR12_166_a_c_b:Dy-N-U +mp-1095442,HfVP,-9.22539476,-1.0739288911,0.0,-0.1372418272,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-P-V,12.0,ABC_oP12_62_c_c_c:Hf-P-V +mp-28748,Y3IrI3,-6.0070029664,-1.3415820279,0.0,-0.0096290329,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:I-Ir-Y,14.0,A3BC3_mP14_11_3e_e_3e:I-Ir-Y +mp-28864,Y6IrI10,-5.2104499782,-1.5415720747,0.0,-0.0230979764,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Ir-Y,17.0,A10BC6_aP17_2_5i_a_3i:I-Ir-Y +mp-1205722,KCaI3,-3.334918369,-1.8276987936,0.011525593,0.011525593,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Ca-I-K,10.0,AB3C_oC20_63_a_cf_c:Ca-I-K +mp-1187783,UTcO3,-9.315465532,-2.0170425143,0.8903739599,0.8903739599,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Tc-U,5.0,A3BC_cP5_221_c_b_a:O-Tc-U +mp-1216469,Yb9B5S21,-5.2871000243,-1.4551320078,0.1562225309,0.1562225309,GGA,P1,A5B21C9_aP70_1_10a_42a_18a:B-S-Yb,,A5B21C9_aP70_1_10a_42a_18a:B-S-Yb +mp-1215920,YB2Mo,-8.0471104425,-0.3793842512,0.0977652418,0.0977652418,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Mo-Y,4.0,A2BC_oC8_38_ab_a_b:B-Mo-Y +mp-504874,YB7Mo3,-8.3515881157,-0.5553004939,0.0,-0.0083471175,GGA,Pnma,A7B3C_oP44_62_7c_3c_c:B-Mo-Y,44.0,A7B3C_oP44_62_7c_3c_c:B-Mo-Y +mp-7691,YB4Mo,-7.9577571575,-0.6194757731,0.0,-0.0575925526,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mo-Y,24.0,A4BC_oP24_55_4h_g_g:B-Mo-Y +mp-1228657,B2RuW,-9.1304402763,-0.2326111983,0.091594168,0.091594168,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Ru-W,8.0,A2BC_oP8_26_ab_a_b:B-Ru-W +mp-1220349,NbB2W,-9.6895839625,-0.5850292596000001,0.0,-0.0115738356,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Nb-W,4.0,A2BC_oC8_38_ab_a_b:B-Nb-W +mp-631531,NbBW,-8.28617926,1.6267630869,2.139855605,2.139855605,GGA,F-43m,ABC_cF12_216_a_c_b:B-Nb-W,3.0,ABC_cF12_216_a_c_b:B-Nb-W +mp-1220641,Nb3B4W3,-10.017367571,-0.4277802817,0.114086933,0.114086933,GGA,Amm2,A4B3C3_oC20_38_2ad_bd_be:B-Nb-W,10.0,A4B3C3_oC20_38_2ad_bd_be:B-Nb-W +mp-1217376,TcW2C,-11.2084295025,0.1679617219,0.2288103588,0.2288103588,GGA,P3m1,ABC2_hP8_156_2b_2a_a3c:C-Tc-W,8.0,ABC2_hP8_156_2b_2a_a3c:C-Tc-W +mp-1009848,TcC,-9.236601835,0.5580503837,0.5580503837,0.5580503837,GGA,F-43m,AB_cF8_216_a_c:C-Tc,2.0,AB_cF8_216_a_c:C-Tc +mp-1009837,TcC,-9.144030715,0.6506215037,0.6506215037,0.6506215037,GGA,Fm-3m,AB_cF8_225_a_b:C-Tc,2.0,AB_cF8_225_a_b:C-Tc +mp-1187391,Tc3C,-9.0324517625,1.0451938194,1.0451938194,1.0451938194,GGA,P6_3/mmc,AB3_hP8_194_c_h:C-Tc,8.0,AB3_hP8_194_c_h:C-Tc +mp-1190096,TbWC2,-9.2795521044,-0.2670952756,0.0,-0.0480436822,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Tb-W,16.0,A2BC_oP16_62_2c_c_c:C-Tb-W +mp-27768,Co(BW)3,-9.8748530243,-0.4432981961,0.0,-0.0103368882,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:B-Co-W,14.0,A3BC3_oC28_63_cf_a_cf:B-Co-W +mp-22759,CoBW,-9.3482003775,-0.4329204456,0.0,-0.0455596091,GGA,Pnma,ABC_oP12_62_c_c_c:B-Co-W,12.0,ABC_oP12_62_c_c_c:B-Co-W +mp-7573,Co(BW)2,-9.735748148,-0.4590757887,0.0,-0.0188909177,GGA,Immm,A2BC2_oI10_71_e_c_g:B-Co-W,5.0,A2BC2_oI10_71_e_c_g:B-Co-W +mp-672221,Co21(B3W)2,-7.6437035645,-0.2206937445,0.0,-0.0202060234,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-W,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a4f4h_c:B-Co-W, expected Co81(B3W)2 to be Co21(B3W)2" +mp-9960,Y3TlC,-6.6874769,-0.4893325042,0.0,-0.158713671,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Tl-Y,5.0,ABC3_cP5_221_b_a_c:C-Tl-Y +mp-1216018,YThC3,-8.5457867645,-0.2325215963,0.0547766109,0.0547766109,GGA,I2_13,A3BC_cI40_199_2b_a_a:C-Th-Y,20.0,"Invalid WP multiplicities - A3BC_cI40_199_6b_a_a:C-Th-Y, expected YThC9 to be YThC3" +mp-1246158,Al6W5N16,-9.0205600744,-0.848411003,0.1553575493,0.1553575493,GGA,I-43m,A6B16C5_cI54_217_d_cg_ac:Al-N-W,27.0,A6B16C5_cI54_217_d_cg_ac:Al-N-W +mp-1245348,Al5WN7,-7.9050419183,-0.9787746987,0.3644381798,0.3644381798,GGA,Pna2_1,A5B7C_oP104_33_10a_14a_2a:Al-N-W,104.0,A5B7C_oP104_33_10a_14a_2a:Al-N-W +mp-1246403,AlWN3,-8.979361524,-0.636723357,0.320594919,0.320594919,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Al-N-W,20.0,AB3C_aP20_2_2i_6i_2i:Al-N-W +mp-1215681,YUAs2,-7.903198225,-1.1341687417,0.0007654425,0.0007654425,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:As-U-Y,4.0,A2BC_tP4_123_ad_b_c:As-U-Y +mp-1247357,Y2InN3,-7.7680825,-0.9857307114,0.2854505775,0.2854505775,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:In-N-Y,24.0,AB3C2_mC48_15_f_2e2f_2f:In-N-Y +mp-1245522,ScBN2,-8.9448975838,-1.5236849023,0.2536276,0.2536276,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:B-N-Sc,8.0,AB2C_hP8_194_c_f_a:B-N-Sc +mp-1219140,Sm3YS4,-6.9094606338,-2.2634570105,0.0036367413,0.0036367413,GGA,C2/m,A4B3C_mC16_12_2i_ai_d:S-Sm-Y,8.0,"Invalid WP multiplicities - A4B3C_mC16_12_3i_a2i_c:S-Sm-Y, expected Sm5YS6 to be Sm3YS4" +mp-1218975,SmYS2,-7.1239669725,-2.259477727,0.0003853875,0.0003853875,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Sm-Y,4.0,A2BC_hR12_166_c_a_b:S-Sm-Y +mp-1195848,U6Rh2S15,-7.8839555509,-1.6003110377,0.0,-0.0996169886,GGA,Im-3m,A2B15C6_cI92_229_c_dk_h:Rh-S-U,46.0,A2B15C6_cI92_229_c_dk_h:Rh-S-U +mp-21217,URhS3,-7.531425115,-1.3184116189,0.0481831525,0.0481831525,GGA,Pnma,AB3C_oP20_62_a_cd_c:Rh-S-U,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c4d_c:Rh-S-U, expected URhS11 to be URhS3" +mp-936302,B4C,-5.9160874911,1.273159024,1.3735039135,1.3392203917,GGA,P1,A4B_aP70_1_56a_14a:B-C,70.0,A4B_aP70_1_56a_14a:B-C +mp-530074,B4C,-7.1922596994,-0.0030131843,0.0973317052,0.0630481834,GGA,P1,A4B_aP70_1_56a_14a:B-C,70.0,A4B_aP70_1_56a_14a:B-C +mp-1238815,B4C,-7.2895914047,-0.1003448895,0.0,-0.0342835219,GGA,Cm,A4B_mC30_8_4a4b_3a:B-C,15.0,"Invalid WP multiplicities - A4B_mC30_8_4a8b_3a:B-C, expected B20C3 to be B4C" +mp-8035,B4C,-6.2369692807,0.9522772345,1.052622124,1.0183386021,GGA,R-3m,A4B_hR45_166_2h_ac:B-C,15.0,A4B_hR45_166_2h_ac:B-C +mp-571655,B4C,-6.3877640473,0.8014824678,0.9018273573,0.8675438355,GGA,R-3m,A4B_hR45_166_2h_ac:B-C,15.0,"Invalid WP multiplicities - A4B_hR45_166_11h_ac:B-C, expected B22C to be B4C" +mp-696746,B4C,-7.2182546687,-0.0290081535,0.071336736,0.0370532141,GGA,R-3m,A4B_hR45_166_2h_ac:B-C,15.0,A4B_hR45_166_2h_ac:B-C +mp-1239206,BC3,-8.3425533478,0.2487937143,0.2801514922,0.2801514922,GGA,I-43m,AB3_cI64_217_2c_deg:B-C,32.0,"Invalid WP multiplicities - AB3_cI64_217_7c_4d5e4g:B-C, expected B14C51 to be BC3" +mp-1095514,BC5,-8.5210156967,0.2827708422,0.3036760275,0.3036760275,GGA,P-1,AB5_aP12_2_i_5i:B-C,12.0,AB5_aP12_2_i_5i:B-C +mp-1386486,BC5,-5.957160935,2.8466256039,2.8675307892,2.8675307892,GGA,P-1,AB5_aP12_2_i_5i:B-C,12.0,AB5_aP12_2_i_5i:B-C +mp-1077743,BC5,-8.5510936017,0.2526929372,0.2735981225,0.2735981225,GGA,Imm2,AB5_oI12_44_a_b2c:B-C,6.0,AB5_oI12_44_a_b2c:B-C +mp-1077125,BC5,-8.5743691167,0.2294174222,0.2503226075,0.2503226075,GGA,I-4m2,AB5_tI12_119_a_cef:B-C,6.0,AB5_tI12_119_a_cef:B-C +mp-1018649,BC5,-8.5451133533,0.2586731856,0.2795783709,0.2795783709,GGA,P3m1,AB5_hP6_156_a_a2b2c:B-C,6.0,AB5_hP6_156_a_a2b2c:B-C +mp-576,B13C2,-7.0908614153,-0.0715664816,0.0,-0.0046698886,GGA,R-3m,A13B2_hR45_166_a2h_c:B-C,15.0,A13B2_hR45_166_a2h_c:B-C +mp-1079046,BC7,-8.67824289,0.2317633873,0.2474422763,0.2474422763,GGA,Pmm2,AB7_oP8_25_a_bcdef:B-C,8.0,AB7_oP8_25_a_bcdef:B-C +mp-1078935,BC7,-8.710308635,0.1996976423,0.2153765313,0.2153765313,GGA,P-4m2,AB7_tP8_115_b_ce2g:B-C,8.0,AB7_tP8_115_b_ce2g:B-C +mp-1080030,BC7,-8.67523221,0.2347740673,0.2504529563,0.2504529563,GGA,P3m1,AB7_hP8_156_a_a2b4c:B-C,8.0,AB7_hP8_156_a_a2b4c:B-C +mp-1079661,BC7,-8.6800233088,0.2299829685,0.2456618575,0.2456618575,GGA,R3m,AB7_hR24_160_a_7a:B-C,8.0,AB7_hR24_160_a_7a:B-C +mp-1095030,BC7,-8.6439667675,0.2660395098,0.2817183988,0.2817183988,GGA,P-43m,AB7_cP8_215_a_ce:B-C,8.0,AB7_cP8_215_a_ce:B-C +mp-633538,B9C,-6.6193558150000005,0.314963328,0.3686381892,0.3686381892,GGA,P1,A9B_aP20_1_18a_2a:B-C,20.0,A9B_aP20_1_18a_2a:B-C +mp-1182537,B9C,-4.410303743,2.5240154,2.5776902612,2.5776902612,GGA,I4/mmm,A9B_tI20_139_agi_b:B-C,10.0,A9B_tI20_139_agi_b:B-C +mp-984728,BC,-7.4541110075,0.4999176242,0.5626331801000001,0.5626331801000001,GGA,P6_3mc,AB_hP4_186_b_b:B-C,4.0,AB_hP4_186_b_b:B-C +mp-1228623,BC,-7.356661755,0.5973668767,0.6600824326,0.6600824326,GGA,P-6m2,AB_hP2_187_a_c:B-C,2.0,AB_hP2_187_a_c:B-C +mp-1095228,PuB2C,-9.550843345,-0.337021504,0.0,-0.0079161883,GGA,R-3m,A2BC_hR36_166_g_d_ac:B-C-Pu,12.0,A2BC_hR36_166_g_d_ac:B-C-Pu +mp-1868,VS,-7.7561582888,-1.1459803203,0.0628147878,0.0628147878,GGA,Pnma,AB_oP8_62_c_c:S-V,8.0,AB_oP8_62_c_c:S-V +mp-1214,VS,-7.4072445325,-0.7970665641,0.4117285441,0.4117285441,GGA,P6_3/mmc,AB_hP4_194_a_c:S-V,4.0,AB_hP4_194_a_c:S-V +mp-33031,VS,-7.7402538075,-1.1300758391,0.0787192691,0.0787192691,GGA,P6_3/mmc,AB_hP4_194_c_a:S-V,4.0,AB_hP4_194_c_a:S-V +mp-849065,VS,-7.5750046625,-0.9648266941,0.2439684141,0.2439684141,GGA,P6_3/mmc,AB_hP4_194_c_a:S-V,4.0,AB_hP4_194_c_a:S-V +mp-1183502,Ca3V,-3.294254345,0.4809220825,0.4809220825,0.4809220825,GGA,I4/mmm,A3B_tI8_139_ad_b:Ca-V,4.0,A3B_tI8_139_ad_b:Ca-V +mp-1366511,CaV2S5,-6.4032454031,-1.2962877338,0.2049090081,0.2049090081,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-S-V,16.0,AB5C2_oP16_59_a_b2e_e:Ca-S-V +mp-1100973,V11S16,-7.1117003333,-0.9596201615,0.3190144794,0.3190144794,GGA,P1,A16B11_aP27_1_16a_11a:S-V,27.0,A16B11_aP27_1_16a_11a:S-V +mp-849080,VS2,-5.0572596033,0.7283423312,1.9299604667,1.8940647715,GGA,P1,A2B_aP3_1_2a_a:S-V,3.0,A2B_aP3_2_i_a:S-V +mp-655446,VS2,-5.0461863967,0.7394155379,1.9410336733,1.9051379782,GGA,P1,A2B_aP3_1_2a_a:S-V,3.0,A2B_aP3_1_2a_a:S-V +mp-611224,VS2,-4.7299201767,1.0556817579,2.2572998933,2.2214041982,GGA,P1,A2B_aP3_1_2a_a:S-V,3.0,A2B_mC6_5_c_a:S-V +mp-849060,VS2,-6.9681190967,-1.1825171621,0.0191009733,-0.0167947218,GGA,P-1,A2B_aP3_2_i_a:S-V,3.0,A2B_aP3_2_i_a:S-V +mp-1178763,VS2,-6.9681507,-1.1825487654,0.01906937,-0.0168263251,GGA,C2/m,A2B_mC6_12_i_a:S-V,3.0,A2B_mC6_12_i_a:S-V +mp-849098,VS2,-6.40422708,-0.6186251454,0.58299299,0.5470972949,GGA,Pmmm,A2B_oP3_47_j_a:S-V,3.0,A2B_oP3_47_j_a:S-V +mp-1443423,VS2,-6.7243256367,-0.9387237021,0.2628944333,0.2269987382,GGA,I-42d,A2B_tI12_122_d_a:S-V,6.0,A2B_tI12_122_d_a:S-V +mp-9561,VS2,-6.9705061767,-1.1849042421,0.0167138933,-0.0191818018,GGA,P-3m1,A2B_hP3_164_d_a:S-V,3.0,A2B_hP3_164_d_a:S-V +mp-1013526,VS2,-6.9687242333,-1.1831222987,0.0184958367,-0.0173998585,GGA,R-3m,A2B_hR9_166_c_a:S-V,3.0,A2B_hR9_166_c_a:S-V +mp-1424931,VS2,-6.9691312967000005,-1.1835293621,0.0180887733,-0.0178069218,GGA,R-3m,A2B_hR9_166_c_a:S-V,3.0,A2B_hR9_166_c_a:S-V +mp-1013525,VS2,-6.98722007,-1.2016181354,0.0,-0.0358956951,GGA,P6_3/mmc,A2B_hP6_194_f_c:S-V,6.0,A2B_hP6_194_f_c:S-V +mp-557523,VS2,-6.9682061283,-1.1826041937,0.0190139417,-0.0168817535,GGA,P6_3/mmc,A2B_hP6_194_f_a:S-V,6.0,A2B_hP6_194_f_a:S-V +mp-1405126,VS2,-6.8990341725,-1.1134322379,0.0881858975,0.0522902024,GGA,Fd-3m,A2B_cF48_227_e_c:S-V,12.0,A2B_cF48_227_e_c:S-V +mp-7945,V3S,-8.5157052444,-0.6686632252,0.0029779491,-0.0288978356,GGA,I-42m,AB3_tI32_121_f_g2i:S-V,16.0,AB3_tI32_121_f_g2i:S-V +mp-555283,V3S,-8.5186831934,-0.6716411742,0.0,-0.0318757847,GGA,P4_2/nbc,AB3_tP32_133_h_i2j:S-V,32.0,"Invalid WP multiplicities - AB3_tP32_133_h_6i11j:S-V, expected V17S to be V3S" +mp-1384673,Ca(VS2)2,-6.6026235707000005,-1.3570219296,0.2364823668,0.2364823668,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Ca-S-V,14.0,AB4C2_tI28_141_a_h_d:Ca-S-V +mp-1411384,Ca(VS2)2,-6.5937315379,-1.3481298968,0.2453743996,0.2453743996,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-S-V,14.0,AB4C2_cF56_227_a_e_d:Ca-S-V +mp-1400988,Ca(VS2)4,-6.8582417277,-1.3634091819,0.0492245787,0.0492245787,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-S-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-S-V, expected Ca(V2S7)2 to be Ca(VS2)4" +mp-1395253,Ca(VS2)4,-6.7563677185,-1.2615351727,0.1510985879,0.1510985879,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Ca-S-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_c2h_ad:Ca-S-V, expected Ca(V2S7)2 to be Ca(VS2)4" +mp-1376600,V2S5,-6.4089031564,-0.8588943744,0.2535104748,0.2535104748,GGA,Pmmn,A5B2_oP14_59_a2e_e:S-V,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:S-V, expected V2S7 to be V2S5" +mp-541155,VS4,-6.0777620415,-0.951820934,0.0,-0.2308500528,GGA,C2/c,A4B_mC40_15_4f_f:S-V,20.0,"Invalid WP multiplicities - A4B_mC40_15_13f_f:S-V, expected VS13 to be VS4" +mp-690772,V5S8,-7.2873098877,-1.2479922504,0.0069450042,0.0069450042,GGA,C2/m,A8B5_mC26_12_2ij_ahi:S-V,13.0,A8B5_mC26_12_2ij_ahi:S-V +mp-1216463,V7S8,-7.6189150793,-1.1736523177,0.0780034398,0.0780034398,GGA,C2/m,A8B7_mC30_12_2ij_aehi:S-V,15.0,"Invalid WP multiplicities - A8B7_mC30_12_3i2j_afhi:S-V, expected VS2 to be V7S8" +mp-1100925,V7S8,-7.6201486091,-1.1748858474,0.0767699101,0.0767699101,GGA,P3_121,A8B7_hP45_152_4c_2ab2c:S-V,45.0,"Invalid WP multiplicities - A8B7_hP45_152_21c_3a5b8c:S-V, expected V4S7 to be V7S8" +mp-1207843,V7S8,-7.612616878,-1.1673541163,0.0843016412,0.0843016412,GGA,P-3m1,A8B7_hP15_164_di_aef:S-V,15.0,A8B7_hP15_164_di_aef:S-V +mp-1216498,V3S5,-7.2104561387,-1.2187101957,0.0262297241,0.0262297241,GGA,P-1,A5B3_aP16_2_5i_ae2i:S-V,16.0,"Invalid WP multiplicities - A5B3_aP16_2_10i_ae2i:S-V, expected V3S10 to be V3S5" +mp-1133,V5S4,-8.0223973389,-1.1373606925,0.0,-0.0852144449,GGA,I4/m,A4B5_tI18_87_h_ah:S-V,9.0,"Invalid WP multiplicities - A4B5_tI18_87_h_a2h:S-V, expected V9S4 to be V5S4" +mp-1081,V3S4,-7.5370896443,-1.2803014046,0.0203379521,-0.0607572691,GGA,C2/m,A4B3_mC14_12_2i_ai:S-V,7.0,A4B3_mC14_12_2i_ai:S-V +mp-560908,V3S4,-7.3048635343,-1.0480752946,0.2525640621,0.1714688409,GGA,C2/m,A4B3_mC14_12_2i_ai:S-V,7.0,"Invalid WP multiplicities - A4B3_mC14_12_4i_a2i:S-V, expected V5S8 to be V3S4" +mp-799,V3S4,-7.5574275964,-1.3006393568,0.0,-0.0810952213,GGA,P6_3/m,A4B3_hP14_176_ch_h:S-V,14.0,A4B3_hP14_176_ch_h:S-V +mp-1209790,Pu3S2,-11.5758990125,-1.3606160678,0.2602265255,0.2602265255,GGA,Pnma,A3B2_oP20_62_3c_2c:Pu-S,20.0,A3B2_oP20_62_3c_2c:Pu-S +mp-1202803,Pu2US5,-9.5092034172,-1.9455364166,0.0,-0.0392593922,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pu-S-U,32.0,A2B5C_oP32_62_d_3cd_c:Pu-S-U +mp-639690,PuS2,-9.2652086183,-1.7516292638,0.0,-0.0626124422,GGA,P4/nmm,AB2_tP6_129_c_ac:Pu-S,6.0,"Invalid WP multiplicities - AB2_tP6_129_c_a2c:Pu-S, expected PuS3 to be PuS2" +mp-33239,Pu2S3,-10.215825438,-2.0268201859,0.0,-0.165421331,GGA,I-42d,A2B3_tI80_122_cde_3e:Pu-S,40.0,"Invalid WP multiplicities - A2B3_tI80_122_4c4d4e_14e:Pu-S, expected Pu4S7 to be Pu2S3" +mp-862796,Pu2S3,-10.167840542,-1.9788352899,0.047984896,-0.117436435,GGA,R-3c,A2B3_hR30_167_c_e:Pu-S,10.0,A2B3_hR30_167_c_e:Pu-S +mp-1186803,PuS3,-7.7906302725,-1.1213332898,0.192388658,0.192388658,GGA,I4/mmm,AB3_tI8_139_a_bd:Pu-S,4.0,AB3_tI8_139_a_bd:Pu-S +mp-2086,PuS,-11.22819734,-2.0260532416,0.0,-0.3323351147,GGA,Fm-3m,AB_cF8_225_a_b:Pu-S,2.0,AB_cF8_225_a_b:Pu-S +mp-1105660,URuS3,-7.8994415915,-1.3044091614,0.0,-0.0136376905,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ru-S-U,20.0,AB3C_oP20_62_a_cd_c:Ru-S-U +mp-1202826,Gd2US5,-9.6516992272,-2.1359612491,0.0,-0.0080290194,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Gd-S-U,32.0,A2B5C_oP32_62_d_3cd_c:Gd-S-U +mp-1217001,U3TiS6,-8.3032867145,-1.6444445897,0.1191972331,0.1191972331,GGA,Pmc2_1,A6BC3_oP20_26_3a3b_a_a2b:S-Ti-U,20.0,A6BC3_oP20_26_3a3b_a_a2b:S-Ti-U +mp-1197243,U2TiS5,-8.0925705631,-1.6975003917,0.0610972678,0.0610972678,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:S-Ti-U,32.0,A5BC2_oP32_62_3cd_c_d:S-Ti-U +mp-1193754,U8TiS17,-8.2500970619,-1.7675424529,0.0,-0.0536284402,GGA,C2/m,A17BC8_mC52_12_a4i2j_c_2ij:S-Ti-U,26.0,A17BC8_mC52_12_a4i2j_d_2ij:S-Ti-U +mp-1100401,YCdB,-4.7541574233,-0.0645732086,0.3831420567,0.3831420567,GGA,F-43m,ABC_cF12_216_c_a_b:B-Cd-Y,3.0,ABC_cF12_216_c_a_b:B-Cd-Y +mp-28046,AlP2I9,-2.9355209029,-0.6161477368,0.0,-0.0022147822,GGA,Pbca,AB9C2_oP96_61_c_9c_2c:Al-I-P,96.0,"Invalid WP multiplicities - AB9C2_oP96_61_c_12c_2c:Al-I-P, expected Al(PI6)2 to be AlP2I9" +mp-568423,AlPI8,-2.7791162342,-0.6845353206,0.0,-0.1162069006,GGA,Pna2_1,AB8C_oP40_33_a_8a_a:Al-I-P,40.0,"Invalid WP multiplicities - AB8C_oP40_33_a_30a_a:Al-I-P, expected AlPI30 to be AlPI8" +mp-542730,V8C7,-9.6752506457,-0.5237901785,0.0071777428,0.0071777428,GGA,P4_332,A7B8_cP60_212_a2d_ce:C-V,60.0,A7B8_cP60_212_a2d_ce:C-V +mp-20648,V2C,-9.6030583742,-0.4708991633,0.0,-0.0726732224,GGA,Pbcn,AB2_oP12_60_c_d:C-V,12.0,AB2_oP12_60_c_d:C-V +mp-1008632,V2C,-9.5853516333,-0.4531924225,0.0177067408,-0.0549664816,GGA,P-3m1,AB2_hP3_164_a_d:C-V,3.0,AB2_hP3_164_a_d:C-V +mp-1094023,V2C,-9.30101907,-0.1688598592,0.3020393042,0.2293660818,GGA,P6_3/mmc,AB2_hP6_194_a_f:C-V,6.0,AB2_hP6_194_a_f:C-V +mp-1178822,VC3,-8.5548347016,0.6376409353,0.8865321484,0.8865321484,GGA,P1,A3B_aP32_1_24a_8a:C-V,32.0,A3B_aP32_1_24a_8a:C-V +mp-1067129,VC3,-6.9379744525,2.2545011844,2.5033923975,2.5033923975,GGA,Pm-3m,A3B_cP4_221_c_a:C-V,4.0,A3B_cP4_221_c_a:C-V +mp-1238834,VC,-9.4295566475,-0.2732708663,0.2245115599,0.2245115599,GGA,P6_3/mmc,AB_hP4_194_a_c:C-V,4.0,AB_hP4_194_a_c:C-V +mp-1282,VC,-9.565958805,-0.4096730238,0.0881094024,0.0881094024,GGA,Fm-3m,AB_cF8_225_a_b:C-V,2.0,AB_cF8_225_a_b:C-V +mp-1216509,V3C2,-9.5098711455,-0.3680613065,0.1425127727,0.1425127727,GGA,P-3m1,A2B3_hP20_164_c3d_2c4d:C-V,20.0,"Invalid WP multiplicities - A2B3_hP20_164_2c5d_4c8d:C-V, expected V12C7 to be V3C2" +mp-1216474,V4C3,-9.5538766486,-0.4079308261,0.1196467885,0.1196467885,GGA,R3m,A3B4_hR21_160_3a_4a:C-V,7.0,A3B4_hR21_160_3a_4a:C-V +mp-1216471,V4C3,-9.58588193,-0.4399361075,0.0876415071,0.0876415071,GGA,R-3m,A3B4_hR21_166_ac_2c:C-V,7.0,"Invalid WP multiplicities - A3B4_hR21_166_a2c_2c:C-V, expected V4C5 to be V4C3" +mp-20983,V2InC,-7.8794585763,-0.3424182356,0.0107561369,0.0107561369,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-In-V,8.0,ABC2_hP8_194_a_c_f:C-In-V +mp-28731,V6C5,-9.6927411815,-0.543035374,0.0,-0.0240534696,GGA,P3_112,A5B6_hP33_151_2a3b_3c:C-V,33.0,A5B6_hP33_151_2a3b_3c:C-V +mp-1246004,VSiN2,-8.6064822781,-0.8109287906,0.4530621162,0.4530621162,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Si-V,16.0,A2BC_oP16_33_2a_a_a:N-Si-V +mp-1246651,VSi7N10,-8.3144648914,-1.0685714731,0.2231098035,0.2231098035,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Si-V,36.0,A10B7C_mP36_7_10a_7a_a:N-Si-V +mp-1207841,V5Si3N,-8.5220287444,-0.7406977039,0.0,-0.0227936377,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:N-Si-V,18.0,AB3C5_hP18_193_b_g_dg:N-Si-V +mp-1207197,Tb2CI,-5.8682410038,-0.8755499931,0.0,-0.1328341166,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-I-Tb,8.0,ABC2_hP8_194_a_c_f:C-I-Tb +mp-1178946,TmWC2,-9.2930448769,-0.3202207173,0.0,-0.0674198002,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Tm-W,16.0,A2BC_oP16_62_2c_c_c:C-Tm-W +mp-27732,W10O29,-9.1678521008,-2.1669476155,0.0129979725,0.0129979725,GGA+U,P2/m,A29B10_mP78_10_ad18m10n_10m:O-W,78.0,A29B10_mP78_10_cd18m10n_10m:O-W +mp-826025,W3O10,-8.5644807277,-1.7689978198,0.2542158665,0.2542158665,GGA+U,P1,A10B3_aP13_1_10a_3a:O-W,13.0,A10B3_aP13_1_10a_3a:O-W +mp-826017,W3O10,-8.6355332769,-1.840050369,0.1831633173,0.1831633173,GGA+U,Fmm2,A10B3_oF52_42_2abce_ab:O-W,13.0,A10B3_oF52_42_2abce_ab:O-W +mp-1394209,W2O5,-9.1116940621,-1.8760220598,0.2496641502,0.2496641502,GGA+U,Pba2,A5B2_oP14_32_a2c_c:O-W,14.0,A5B2_oP14_55_agh_g:O-W +mp-1392923,W2O5,-9.2850541943,-2.049382192,0.076304018,0.076304018,GGA+U,Pmmn,A5B2_oP14_59_a2e_e:O-W,14.0,"Invalid WP multiplicities - A5B2_oP14_59_a3e_e:O-W, expected W2O7 to be W2O5" +mp-1043494,W2O5,-9.100611005,-1.8649390027,0.2607472073,0.2607472073,GGA+U,Cmcm,A5B2_oC28_63_c2f_f:O-W,14.0,"Invalid WP multiplicities - A5B2_oC28_63_2c5f_f:O-W, expected WO6 to be W2O5" +mp-1216302,W2O5,-9.11367887,-1.8780068677,0.2476793423,0.2476793423,GGA+U,Cmcm,A5B2_oC28_63_a2cg_2c:O-W,14.0,A5B2_oC28_63_a2cg_2c:O-W +mp-21369,W3O,-8.6138312475,2.3414386028,3.1055066231,3.1055066231,GGA+U,Pm-3n,AB3_cP8_223_a_c:O-W,8.0,AB3_cP8_223_a_c:O-W +mp-907,W18O49,-9.2532178191,-2.1542015357,0.0030684914,0.0030684914,GGA+U,P2/m,A49B18_mP67_10_a15m9n_9m:O-W,67.0,"Invalid WP multiplicities - A49B18_mP67_10_a29m18n_17m:O-W, expected W34O95 to be W18O49" +mp-560362,W8O21,-9.2933920089,-2.1366504649,0.0072781222,0.0072781222,GGA+U,Pbam,A21B8_oP116_55_13g8h_8g:O-W,116.0,"Invalid WP multiplicities - A21B8_oP116_55_49g31h_27g:O-W, expected W27O80 to be W8O21" +mp-1380432,WO2,-9.3416212258,-1.7244520083,0.3130627125,0.2426230228,GGA+U,P1,A2B_aP36_1_24a_12a:O-W,36.0,A2B_aP36_1_24a_12a:O-W +mp-1350563,WO2,-9.5231100265,-1.905940809,0.1315739119,0.0611342222,GGA+U,P1,A2B_aP48_1_32a_16a:O-W,48.0,A2B_aP48_1_32a_16a:O-W +mp-1244880,WO2,-9.1246753173,-1.5075060998,0.5300086211,0.4595689314,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1245020,WO2,-9.1458180893,-1.5286488718,0.508865849,0.4384261593,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1245077,WO2,-9.1401807441,-1.5230115266,0.5145031942,0.4440635045,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1245102,WO2,-9.1644505029,-1.5472812854,0.4902334354,0.4197937457,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1245227,WO2,-9.1736368635,-1.556467646,0.4810470748,0.4106073851,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1245271,WO2,-9.1339908267,-1.5168216092,0.5206931117,0.450253422,GGA+U,P1,A2B_aP102_1_68a_34a:O-W,102.0,A2B_aP102_1_68a_34a:O-W +mp-1041282,WO2,-9.3140303375,-1.69686112,0.3406536008,0.2702139112,GGA+U,Cm,A2B_mC72_8_12a6b_6a3b:O-W,36.0,A2B_mC72_8_12a12b_6a6b:O-W +mp-19372,WO2,-9.6546839383,-2.0375147208,0.0,-0.0704396897,GGA+U,P4_2/mnm,A2B_tP6_136_f_a:O-W,6.0,A2B_tP6_136_f_a:O-W +mp-616585,WO2,-9.4864036467,-1.8692344292,0.1682802917,0.097840602,GGA+U,Pnma,A2B_oP36_62_2c2d_cd:O-W,36.0,"Invalid WP multiplicities - A2B_oP36_62_8c10d_4c3d:O-W, expected W5O14 to be WO2" +mp-1047232,WO2,-9.5460945225,-1.928925305,0.1085894158,0.0381497262,GGA+U,Pnma,A2B_oP24_62_4c_2c:O-W,24.0,A2B_oP24_62_4c_2c:O-W +mp-1042291,WO2,-9.41977697,-1.8026077525,0.2349069683,0.1644672787,GGA+U,Cmcm,A2B_oC12_63_f_a:O-W,6.0,A2B_oC12_63_f_a:O-W +mp-1047616,WO2,-9.2615796883,-1.6444104708,0.39310425,0.3226645603,GGA+U,Cmcm,A2B_oC24_63_acf_f:O-W,12.0,A2B_oC24_63_acf_f:O-W +mp-1445593,WO2,-9.5488156917,-1.9316464742,0.1058682467,0.035428557,GGA+U,I4/m,A2B_tI24_87_2h_h:O-W,12.0,A2B_tI24_87_2h_h:O-W +mp-1040834,WO2,-9.1203768883,-1.5032076708000002,0.53430705,0.4638673603,GGA+U,R3m,A2B_hR36_160_2a2b_ab:O-W,12.0,A2B_hR36_160_2a2b_ab:O-W +mp-25375,WO2,-9.3854518133,-1.7682825958,0.269232125,0.1987924353,GGA+U,R-3m,A2B_hR9_166_c_a:O-W,3.0,A2B_hR9_166_c_a:O-W +mp-1403606,WO2,-7.5347108367,0.0824583808,2.1199731017,2.049533412,GGA+U,P6_3/mmc,A2B_hP6_194_f_c:O-W,6.0,A2B_hP6_194_f_c:O-W +mp-504110,WO2,-9.1669734942,-1.5498042767,0.4877104442,0.4172707545,GGA+U,Fd-3m,A2B_cF48_227_e_c:O-W,12.0,A2B_cF48_227_e_c:O-W +mp-1186669,PmWO3,-8.78951494,-2.2797672028,0.5555465585,0.5555465585,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Pm-W,5.0,A3BC_cP5_221_c_a_b:O-Pm-W +mp-1201934,WO4,-7.7780775968,-1.2291005818,0.5243512798000001,0.5243512798000001,GGA+U,Pnnm,A4B_oP40_58_2g3h_eg:O-W,40.0,A4B_oP40_58_2g3h_eg:O-W +mp-649605,W25O73,-9.1619768479,-2.1715530553,0.0108148263,0.0108148263,GGA+U,P2/c,A73B25_mP196_13_e36g_e12g:O-W,196.0,"Invalid WP multiplicities - A73B25_mP196_13_2e143g_e42g:O-W, expected W85O288 to be W25O73" +mp-1345171,W5O7,-9.21301989,-0.9282305459,0.8545948348,0.8545948348,GGA+U,Cmcm,A7B5_oC48_63_c3f_a2f:O-W,24.0,"Invalid WP multiplicities - A7B5_oC48_63_c3f_a3f:O-W, expected WO to be W5O7" +mp-1372094,W2O3,-9.111709267,-0.9604439482,0.8733193005000001,0.8733193005000001,GGA+U,Cmcm,A3B2_oC40_63_ac2f_2f:O-W,20.0,A3B2_oC40_63_ac2f_2f:O-W +mp-1191069,W11O12,-9.1190686283,-0.3408209298,1.2537558083,1.2537558083,GGA+U,Cmm2,A12B11_oC46_35_abc2df_a3df:O-W,23.0,A12B11_oC46_35_abc2df_a3df:O-W +mp-1041679,W3O8,-9.1332824018,-2.0016550945,0.1480778852,0.1480778852,GGA+U,P-1,A8B3_aP11_2_4i_ai:O-W,11.0,"Invalid WP multiplicities - A8B3_aP11_2_8i_ai:O-W, expected W3O16 to be W3O8" +mp-715557,W3O8,-9.2720553064,-2.1404279991,0.0093049807,0.0093049807,GGA+U,Cm,A8B3_mC44_8_10a3b_6a:O-W,22.0,A8B3_mC44_8_10a3b_6a:O-W +mp-1404844,W3O8,-8.9690903364,-1.8374630291,0.3122699507,0.3122699507,GGA+U,C2/m,A8B3_mC22_12_2ij_ah:O-W,11.0,A8B3_mC22_12_2ij_ah:O-W +mp-1042656,W3O8,-9.1907346177,-2.0591073105,0.0906256693,0.0906256693,GGA+U,P2/c,A8B3_mP22_13_4g_eg:O-W,22.0,A8B3_mP22_13_4g_eg:O-W +mp-555619,W3O8,-9.2093982775,-2.0777709702,0.0719620095,0.0719620095,GGA+U,Pbam,A8B3_oP44_55_5g3h_3g:O-W,44.0,A8B3_oP44_55_5g3h_3g:O-W +mp-19066,W3O8,-9.2570539564,-2.1254266491,0.0243063307,0.0243063307,GGA+U,Cmmm,A8B3_oC22_65_achp_bg:O-W,11.0,A8B3_oC22_65_achp_bg:O-W +mp-1042978,W3O8,-8.9088001959,-1.7771728886,0.3725600911,0.3725600911,GGA+U,P6_3mc,A8B3_hP22_186_ab2c_c:O-W,22.0,"Invalid WP multiplicities - A8B3_hP22_186_a2b3c_c:O-W, expected WO4 to be W3O8" +mp-1342882,W9O13,-9.2606259932,-1.0365293879,0.7694495692000001,0.7694495692000001,GGA+U,P-1,A13B9_aP22_2_b6i_d4i:O-W,22.0,A13B9_aP22_2_b6i_d4i:O-W +mp-705284,W5O14,-8.4513676913,-1.3964048962,0.7710467561000001,0.7710467561000001,GGA+U,P-42_1m,A14B5_tP152_113_4e12f_2e4f:O-W,152.0,"Invalid WP multiplicities - A14B5_tP152_113_15e89f_6e28f:O-W, expected W62O193 to be W5O14" +mp-675211,WO3,-9.0110747607,-2.0615256698,0.1302891571,0.0665963244,GGA+U,P1,A3B_aP28_1_21a_7a:O-W,28.0,A3B_aP28_1_21a_7a:O-W +mp-1244906,WO3,-8.7468085256,-1.7972594347,0.3945553922,0.3308625595,GGA+U,P1,A3B_aP100_1_75a_25a:O-W,100.0,A3B_aP100_1_75a_25a:O-W +mp-1244929,WO3,-8.9096030909,-1.960054,0.2317608269,0.1680679942,GGA+U,P1,A3B_aP100_1_75a_25a:O-W,100.0,A3B_aP100_1_75a_25a:O-W +mp-1245182,WO3,-8.8976041165,-1.9480550256,0.2437598013,0.1800669686,GGA+U,P1,A3B_aP100_1_75a_25a:O-W,100.0,A3B_aP100_1_75a_25a:O-W +mp-1245267,WO3,-8.8969063297,-1.9473572388,0.2444575881,0.1807647554,GGA+U,P1,A3B_aP100_1_75a_25a:O-W,100.0,A3B_aP100_1_75a_25a:O-W +mp-1245268,WO3,-8.8949225105,-1.9453734196,0.2464414073,0.1827485746,GGA+U,P1,A3B_aP100_1_75a_25a:O-W,100.0,A3B_aP100_1_75a_25a:O-W +mp-1197857,WO3,-9.1315434025,-2.1819943116,0.0098205153,-0.0538723174,GGA+U,P-1,A3B_aP32_2_12i_4i:O-W,32.0,A3B_aP32_2_12i_4i:O-W +mp-2526683,WO3,-9.0986947746,-2.1491456837,0.0426691432,-0.0210236895,GGA+U,Pm,A3B_mP28_6_3a4b7c_a2b2c:O-W,28.0,"Invalid WP multiplicities - A3B_mP28_6_3a4b12c_a2b3c:O-W, expected W9O31 to be WO3" +mp-826026,WO3,-9.1341474369,-2.1845983459,0.0072164809,-0.0564763518,GGA+U,P2_1/m,A3B_mP8_11_a2e_e:O-W,16.0,"Invalid WP multiplicities - A3B_oC16_63_a2g_c:O-W, expected WO5 to be WO3" +mp-619461,WO3,-9.1342642769,-2.1847151859,0.0070996409,-0.0565931918,GGA+U,P2_1/c,A3B_mP32_14_6e_2e:O-W,32.0,"Invalid WP multiplicities - A3B_mP32_14_10e_4e:O-W, expected W2O5 to be WO3" +mp-19033,WO3,-9.1341172138,-2.1845681228,0.0072467041,-0.0564461286,GGA+U,P2_1/c,A3B_mP16_14_3e_e:O-W,16.0,"Invalid WP multiplicities - A3B_mP16_14_10e_e:O-W, expected WO10 to be WO3" +mp-825726,WO3,-9.1319675944,-2.1824185034,0.0093963234,-0.0542965093,GGA+U,P2_1/c,A3B_mP32_14_6e_2e:O-W,32.0,A3B_mP32_14_6e_2e:O-W +mp-636148,WO3,-9.1106951494,-2.1611460584,0.0306687684,-0.0330240643,GGA+U,P2_1/c,A3B_mP16_14_3e_e:O-W,16.0,"Invalid WP multiplicities - A3B_oP16_57_4c6d_d:O-W, expected WO10 to be WO3" +mp-1396391,WO3,-9.1321549844,-2.1826058934,0.0092089334,-0.0544838993,GGA+U,P2_12_12_1,A3B_oP16_19_3a_a:O-W,16.0,A3B_oP16_19_3a_a:O-W +mp-715923,WO3,-9.1335429538,-2.1839938628,0.0078209641,-0.0558718686,GGA+U,Pmma,A3B_oP8_51_aef_e:O-W,8.0,A3B_cP4_221_c_b:O-W +mp-2285488,WO3,-9.1321599075,-2.1826108166,0.0092040103,-0.0544888224,GGA+U,Pmma,A3B_oP8_51_aef_e:O-W,8.0,A3B_oP8_51_aef_e:O-W +mp-566278,WO3,-9.1351330388,-2.1855839478,0.0062308791,-0.0574619536,GGA+U,Pbcm,A3B_oP16_57_a2d_d:O-W,16.0,"Invalid WP multiplicities - A3B_oP16_57_4a8d_d:O-W, expected WO12 to be WO3" +mp-553964,WO3,-9.1338780981,-2.1843290072,0.0074858197,-0.056207013,GGA+U,Pbcm,A3B_oP16_57_a2d_d:O-W,16.0,A3B_oP16_57_a2d_d:O-W +mp-2486616,WO3,-9.1412213594,-2.1916722684,0.0001425584,-0.0635502743,GGA+U,Pbcm,A3B_oP16_57_a2d_d:O-W,16.0,"Invalid WP multiplicities - A3B_oP16_57_4a8d_d:O-W, expected WO12 to be WO3" +mp-19342,WO3,-9.1351718494,-2.1856227584,0.0061920684,-0.0575007643,GGA+U,Pbcn,A3B_oP32_60_3d_d:O-W,32.0,A3B_oP32_60_3d_d:O-W +mp-1172828,WO3,-9.1337631456,-2.1842140547,0.0076007722,-0.0560920605,GGA+U,Pbcn,A3B_oP32_60_3d_d:O-W,32.0,"Invalid WP multiplicities - A3B_oP32_60_19d_d:O-W, expected WO19 to be WO3" +mp-18773,WO3,-9.1353621831,-2.1858130922,0.0060017347,-0.057691098,GGA+U,P4/ncc,A3B_tP16_130_cf_c:O-W,16.0,A3B_tP16_130_cf_c:O-W +mp-510417,WO3,-9.1343423169,-2.1847932259,0.0070216009,-0.0566712318,GGA+U,Pbcn,A3B_oP32_60_3d_d:O-W,32.0,A3B_oP32_60_3d_d:O-W +mp-2383161,WO3,-9.1413639178,-2.1918148269,0.0,-0.0636928327,GGA+U,Pbcn,A3B_oP32_60_3d_d:O-W,32.0,A3B_oP32_60_3d_d:O-W +mp-1408708,WO3,-9.1304589494,-2.1809098584,0.0109049684,-0.0527878643,GGA+U,Pnma,A3B_oP16_62_cd_a:O-W,16.0,A3B_oP16_62_cd_a:O-W +mp-636284,WO3,-9.1333170663,-2.1837679753,0.0080468516,-0.0556459811,GGA+U,Cmcm,A3B_oC16_63_ag_c:O-W,8.0,A3B_oC16_63_ag_c:O-W +mp-2383052,WO3,-9.1408510038,-2.1913019128,0.0005129141,-0.0631799186,GGA+U,Cmcm,A3B_oC16_63_ag_c:O-W,8.0,A3B_oC16_63_ag_c:O-W +mp-559122,WO3,-9.1347371944,-2.1851881034,0.0066267234,-0.0570661093,GGA+U,P-42_1m,A3B_tP16_113_ef_e:O-W,16.0,A3B_tP16_113_ef_e:O-W +mp-733506,WO3,-9.131589001,-2.1820399101,0.0097749168,-0.0539179159,GGA+U,P-42_1m,A3B_tP40_113_ce3f_cf:O-W,40.0,A3B_tP40_113_ce3f_cf:O-W +mp-2235359,WO3,-9.1349944806,-2.1854453897,0.0063694372,-0.0573233955,GGA+U,P-42_1m,A3B_tP16_113_ef_e:O-W,16.0,A3B_tP16_113_ef_e:O-W +mp-19443,WO3,-9.13545015,-2.1859010591,0.0059137678,-0.0577790649,GGA+U,P4/nmm,A3B_tP8_129_cd_c:O-W,8.0,A3B_tP8_129_cd_c:O-W +mp-690346,WO3,-9.1312236679,-2.181674577,0.0101402499,-0.0535525828,GGA+U,P6_3cm,A3B_hP24_185_cd_c:O-W,24.0,A3B_hP24_185_cd_c:O-W +mp-1330336,WO3,-7.9231074646,-0.9735583736,1.2182564532,1.1545636205,GGA+U,P6_3cm,A3B_hP24_185_ab2c_c:O-W,24.0,A3B_hP24_185_ab2c_c:O-W +mp-32662,WO3,-9.1315931925,-2.1820441016,0.0097707253,-0.0539221074,GGA+U,P6_3cm,A3B_hP24_185_cd_c:O-W,24.0,A3B_hP24_185_cd_c:O-W +mp-545665,WO3,-9.1304434192,-2.1808943282,0.0109204986,-0.052772334,GGA+U,P6/mmm,A3B_hP12_191_gl_f:O-W,12.0,"Invalid WP multiplicities - A3B_hP12_191_g2l_f:O-W, expected WO5 to be WO3" +mp-32777,WO3,-9.1309409913,-2.1813919003,0.0104229266,-0.0532699061,GGA+U,P6_3/mcm,A3B_hP24_193_fj_g:O-W,24.0,"Invalid WP multiplicities - A3B_hP24_193_4f4j_g:O-W, expected WO12 to be WO3" +mp-1191364,WO3,-9.1306813796,-2.1811322886,0.0106825382,-0.0530102945,GGA+U,P6_3/mcm,A3B_hP24_193_fj_g:O-W,24.0,A3B_hP24_193_fj_g:O-W +mp-1386422,WO3,-7.9126274037,-0.9630783128,1.2287365141,1.1650436814,GGA+U,P6_3/mmc,A3B_hP8_194_bf_c:O-W,8.0,A3B_hP8_194_bf_c:O-W +mp-756478,WO3,-9.1307004319,-2.1811513409,0.0106634859,-0.0530293468,GGA+U,Im-3,A3B_cI32_204_g_c:O-W,16.0,A3B_cI32_204_g_c:O-W +mp-19390,WO3,-9.1336724825,-2.1841233916,0.0076914353,-0.0560013974,GGA+U,Pm-3m,A3B_cP4_221_c_b:O-W,4.0,A3B_cP4_221_c_b:O-W +mp-1179615,W17O47,-8.3650402295,-1.2903123649,0.8725711921,0.8725711921,GGA+U,P1,A47B17_aP64_1_47a_17a:O-W,64.0,A47B17_aP64_1_47a_17a:O-W +mp-1179617,W17O47,-7.9524831934,-0.8777553288000001,1.2851282282,1.2851282282,GGA+U,P2/m,A47B17_mP64_10_b15m8n_a8m:O-W,64.0,"Invalid WP multiplicities - A47B17_mP64_10_b29m16n_a16m:O-W, expected W33O91 to be W17O47" +mp-1197770,W17O47,-9.2238093642,-2.1490814996,0.0138020574,0.0138020574,GGA+U,P2/m,A47B17_mP64_10_b15m8n_a8m:O-W,64.0,A47B17_mP64_10_b15m8n_a8m:O-W +mp-1178865,WO5,-7.3092112208,-1.0272822565,0.4339276281,0.4339276281,GGA+U,P2_1,A5B_mP24_4_10a_2a:O-W,24.0,A5B_mP24_4_10a_2a:O-W +mp-796339,WO5,-6.9477410621,-0.6658120977,0.7953977869000001,0.7953977869000001,GGA+U,P2_1,A5B_mP24_4_10a_2a:O-W,24.0,A5B_mP24_4_10a_2a:O-W +mp-731362,WO5,-6.9485335233,-0.666604559,0.7946053256000001,0.7946053256000001,GGA+U,P2_1/c,A5B_mP24_14_5e_e:O-W,24.0,A5B_mP24_14_5e_e:O-W +mp-1095323,WO5,-6.9840191342,-0.7020901698,0.7591197148000001,0.7591197148000001,GGA+U,Pmma,A5B_oP12_51_adek_e:O-W,12.0,A5B_oP12_51_adek_e:O-W +mp-1209910,Pm2(WO4)3,-9.0705463759,-2.7331499129,0.0,-0.0574970135,GGA+U,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Pm-W,34.0,A12B2C3_mC68_15_6f_f_ef:O-Pm-W +mp-1044534,W3O7,-9.3504905245,-2.0003693576,0.0988654056,0.0988654056,GGA+U,Pmmn,A7B3_oP20_59_aeg_ae:O-W,20.0,A7B3_oP20_59_aeg_ae:O-W +mp-1048022,W4O9,-9.3344913846,-1.9227437445,0.162247932,0.162247932,GGA+U,P4/m,A9B4_tP13_83_ajk_j:O-W,13.0,A9B4_tP13_83_ajk_j:O-W +mp-825919,W2O7,-8.0959149672,-1.3689059185,0.5793739276000001,0.5793739276000001,GGA+U,Fd-3m,A7B2_cF72_227_af_c:O-W,18.0,A7B2_cF72_227_af_c:O-W +mp-1178760,W2O7,-8.3710455856,-1.6440365368,0.3042433093,0.3042433093,GGA+U,Fd-3m,A7B2_cF72_227_af_d:O-W,18.0,A7B2_cF72_227_af_d:O-W +mp-974038,Ni2W4C,-10.4605251536,-0.0860309004,0.0,-0.0084282102,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Ni-W,28.0,AB2C4_cF112_227_c_e_df:C-Ni-W +mp-1194387,Ni3W3C,-9.3816654668,-0.0325988636,0.0663254364,0.0663254364,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Ni-W,28.0,AB3C3_cF112_227_c_de_f:C-Ni-W +mp-1220975,Ni3W6C,-10.4624416318,-0.0306559405,0.0430819671,0.0430819671,GGA,C2/m,AB3C6_mC160_12_eij_6i3j_adf8i7j:C-Ni-W,80.0,"Invalid WP multiplicities - AB3C6_mC160_12_2ei2j_12i12j_acf15i26j:C-Ni-W, expected Ni36W69C7 to be Ni3W6C" +mp-1198477,Ni10(WC)3,-7.63774733,0.134862293,0.2267385835,0.2267385835,GGA,P6_3/mmc,A3B10C3_hP32_194_g_ahk_h:C-Ni-W,32.0,A3B10C3_hP32_194_g_ahk_h:C-Ni-W +mp-1220415,Ni2W11C4,-10.9421578709,0.293981415,0.3723578824,0.3723578824,GGA,Amm2,A4B2C11_oC68_38_abcf_abd_ab3cd2e2f:C-Ni-W,34.0,"Invalid WP multiplicities - A4B2C11_oC68_38_ab2c2f_abd_ab5cd2e4f:C-Ni-W, expected Ni2W17C7 to be Ni2W11C4" +mp-1194082,Ni6W6C,-9.4462411038,-0.0879128767,0.0,-0.0001016727,GGA,Fd-3m,AB6C6_cF104_227_a_de_f:C-Ni-W,26.0,AB6C6_cF104_227_a_de_f:C-Ni-W +mp-1210481,U2GeS2,-5.156577466,1.9391720557,3.273311126,3.273311126,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Ge-S-U,5.0,AB2C2_tP5_123_a_g_g:Ge-S-U +mp-20913,UGeS,-7.8245842833,-1.1409550394,0.0,-0.0103899775,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-S-U,6.0,ABC_tP6_129_a_c_c:Ge-S-U +mp-638018,UGeS,-7.33107126,-0.6474420160000001,0.4935130233,0.4831230458,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-S-U,6.0,ABC_tP6_129_c_a_c:Ge-S-U +mp-1095739,V2TcW,-6.0893541825,4.2822911463,4.5027609025,4.5027609025,GGA,Immm,AB2C_oI8_71_a_e_b:Tc-V-W,4.0,AB2C_oI8_71_a_e_b:Tc-V-W +mp-1096530,VTc2W,-6.55451092,4.1363176275,4.3225198537,4.3225198537,GGA,Immm,A2BC_oI8_71_e_a_b:Tc-V-W,4.0,A2BC_oI8_71_e_a_b:Tc-V-W +mp-573568,K2TcI6,-3.389677175,-1.0094955151,0.0,-0.0647473406,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:I-K-Tc,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_9e_e_a:I-K-Tc, expected K2TcI18 to be K2TcI6" +mp-974002,OF3,-2.8296784512,-0.1593970478,0.2141495188,0.2141495188,GGA,P1,A3B_aP8_1_6a_2a:F-O,8.0,A3B_aP8_1_6a_2a:F-O +mp-1095223,OF2,-3.4212776375,-0.4980620888,0.0,-0.356375824,GGA,Pnma,A2B_oP12_62_2c_c:F-O,12.0,A2B_oP12_62_2c_c:F-O +mp-19790,Rh(OF3)2,-4.5203220111,-1.3284821114,0.0,-0.0772690142,GGA,P-1,A6B2C_aP9_2_3i_i_a:F-O-Rh,9.0,"Invalid WP multiplicities - A6B2C_aP9_2_4i_i_a:F-O-Rh, expected Rh(OF4)2 to be Rh(OF3)2" +mp-1238792,OF,-2.8899997125,0.5390841269000001,0.9126306934,0.9126306934,GGA,R-3m,AB_hR12_166_c_c:F-O,4.0,AB_hR12_166_c_c:F-O +mp-24208,CrH2,-5.5272166133,-0.04771676,0.0,-0.009059375,GGA,Fm-3m,AB2_cF12_225_a_c:Cr-H,3.0,AB2_cF12_225_a_c:Cr-H +mp-1183723,Cr3H,-7.3590141775,0.7289529363,0.757945975,0.757945975,GGA,I4/mmm,A3B_tI8_139_ad_b:Cr-H,4.0,A3B_tI8_139_ad_b:Cr-H +mp-1183679,CrH3,-4.8702389975,0.0875674038,0.1233549738,0.1233549738,GGA,Pm-3m,AB3_cP4_221_a_c:Cr-H,4.0,AB3_cP4_221_a_c:Cr-H +mp-24669,CrH,-6.4149732875,0.10791347,0.1658995475,0.14370104,GGA,P6_3mc,AB_hP4_186_b_b:Cr-H,4.0,AB_hP4_186_b_b:Cr-H +mp-1007992,CrH,-6.2149390625,0.307947695,0.3659337725,0.343735265,GGA,P6_3/mmc,AB_hP4_194_a_c:Cr-H,4.0,AB_hP4_194_a_c:Cr-H +mp-24287,CrH,-6.580872835,-0.0579860775,0.0,-0.0221985075,GGA,Fm-3m,AB_cF8_225_a_b:Cr-H,2.0,AB_cF8_225_a_b:Cr-H +mp-1095185,Y2CrH6,-5.3778542256,-0.6064824515,0.0424854344,0.0424854344,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:Cr-H-Y,9.0,AB6C2_cF36_225_a_e_c:Cr-H-Y +mp-1189258,Y6PtI10,-5.0773743,-1.5712788,0.0,-0.0260974932,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Pt-Y,17.0,A10BC6_aP17_2_5i_a_3i:I-Pt-Y +mp-991566,Y7FeI12,-3.926883367,-0.3560976068,1.098093783,1.0562697039,GGA,P-1,AB12C7_aP20_2_b_6i_d3i:Fe-I-Y,20.0,"Invalid WP multiplicities - AB12C7_aP20_2_b_10i_d6i:Fe-I-Y, expected Y13FeI20 to be Y7FeI12" +mp-567678,Y7FeI12,-5.02497715,-1.4541913898,0.0,-0.0418240791,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Fe-I-Y,20.0,"Invalid WP multiplicities - AB12C7_hR60_148_a_6f_b2f:Fe-I-Y, expected Y13FeI36 to be Y7FeI12" +mp-1225410,ErUN2,-9.835243725,-1.7022140575,0.0212922125,0.0212922125,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Er-N-U,4.0,AB2C_tP4_123_a_bc_d:Er-N-U +mp-1719,PuN,-12.76830084,-1.4661342125,0.0,-1.4661342125,GGA,Fm-3m,AB_cF8_225_a_b:N-Pu,2.0,AB_cF8_225_a_b:N-Pu +mp-1219671,PuUN2,-12.0298929425,-1.471833395,0.0283787475,0.0062618475,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Pu-U,4.0,A2BC_tP4_123_ad_b_c:N-Pu-U +mp-1219668,PuUN2,-12.05827169,-1.5002121425,0.0,-0.0221169,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Pu-U,4.0,A2BC_hR12_166_c_a_b:N-Pu-U +mp-1219808,PuU4N5,-11.585117643,-1.4735223435,0.020596277,0.020596277,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:N-Pu-U,10.0,"Invalid WP multiplicities - A5BC4_tI20_139_a4e_b_3e:N-Pu-U, expected PuU6N9 to be PuU4N5" +mp-1245925,Ba3VN3,-6.6328540514,-0.9399518136,0.1038448018,0.1038448018,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-V,14.0,A3B3C_hP14_176_h_h_c:Ba-N-V +mp-1245439,Ba3V3N5,-7.7632905205,-0.9731889155,0.1946508159,0.1946508159,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-V,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-V +mp-1245629,BaVN2,-8.1366028225,-1.2176351075,0.0311921941,0.0311921941,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ba-N-V,16.0,AB2C_oC32_64_f_ef_f:Ba-N-V +mp-1246125,Ba3(VN2)2,-7.3591684819,-0.9957555197,0.1238452221,0.1238452221,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-V,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-V +mp-1246136,Ba3(VN2)2,-7.4008741039,-1.0374611417,0.0821396001,0.0821396001,GGA,Imma,A3B4C2_oI36_74_eh_gh_h:Ba-N-V,18.0,A3B4C2_oI36_74_eh_gh_h:Ba-N-V +mp-1029918,Ba(VN2)2,-8.7478644963,-1.1146120992,0.0151684904,0.0151684904,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-V,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-V +mp-17696,Ba2VN3,-7.5396528388,-1.2177627179,0.0,-0.1571180412,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ba-N-V,24.0,"Invalid WP multiplicities - A2B3C_oC48_64_2f_e3f_f:Ba-N-V, expected Ba2VN4 to be Ba2VN3" +mp-1245490,Ba4VN4,-6.5212177928,-0.9539082894,0.0330881353,0.0330881353,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-V +mp-1211448,KSr2I5,-3.3952124178,-1.9131852174,0.0119952125,0.0119952125,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:I-K-Sr,32.0,A5BC2_mP32_14_5e_e_2e:I-K-Sr +mp-1205548,KSrI3,-3.32672278,-1.8827244899,0.0,-0.0028411675,GGA,Cmcm,A3BC_oC20_63_cf_c_a:I-K-Sr,10.0,A3BC_oC20_63_cf_c_a:I-K-Sr +mp-11329,P2W,-8.2913024933,-0.3630574122,0.01542076,-0.1170558353,GGA,C2/m,A2B_mC12_12_2i_i:P-W,6.0,A2B_mC12_12_2i_i:P-W +mp-11328,P2W,-8.3067232533,-0.3784781722,0.0,-0.1324765953,GGA,Cmc2_1,A2B_oC12_36_2a_a:P-W,6.0,A2B_oC12_36_2a_a:P-W +mp-1106195,PW3,-11.1946511381,-0.122727839,0.0617733438,0.0617733438,GGA,I-4,AB3_tI32_82_g_3g:P-W,16.0,AB3_tI32_82_g_3g:P-W +mp-1209828,PW3,-11.1984248788,-0.1265015796,0.0579996031,0.0579996031,GGA,I-42m,AB3_tI32_121_f_g2i:P-W,16.0,AB3_tI32_121_f_g2i:P-W +mp-1402370,Hf9PW4,-9.848625537,0.6414119413,0.9418581567,0.9418581567,GGA,Cmcm,A9BC4_oC56_63_cfgh_c_acg:Hf-P-W,84.0,"Invalid WP multiplicities - A9BC4_oC56_63_2c4f2g4h_c_a2c2g:Hf-P-W, expected Hf30PW7 to be Hf9PW4" +mp-1193918,Hf9PW4,-10.7868227414,-0.2967852631,0.0036609523,0.0036609523,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-P-W,28.0,A9BC4_hP28_194_hk_c_ah:Hf-P-W +mp-2420,PW,-9.5547187338,-0.3690023654,0.0,-0.0851437362,GGA,Pnma,AB_oP8_62_c_c:P-W,8.0,AB_oP8_62_c_c:P-W +mp-1186361,P3W,-6.806924005,0.4925854325,0.7764440617,0.7764440617,GGA,Fm-3m,A3B_cF16_225_ac_b:P-W,4.0,A3B_cF16_225_ac_b:P-W +mp-1207868,UAgF6,-6.4630786906,-3.2639737133,0.0,-0.0347955105,GGA,P4_2/mcm,AB6C_tP16_132_b_io_c:Ag-F-U,16.0,AB6C_tP16_132_b_io_c:Ag-F-U +mp-1759,UF5,-7.2823283554,-3.8075275475,0.0721445596,0.01260932,GGA,I-42d,A5B_tI48_122_d2e_d:F-U,24.0,"Invalid WP multiplicities - A5B_tI48_122_d3e_d:F-U, expected UF7 to be UF5" +mp-1852,UF5,-7.354472915,-3.8796721071,0.0,-0.0595352396,GGA,I4/m,A5B_tI12_87_ah_b:F-U,6.0,"Invalid WP multiplicities - A5B_tI12_87_a2h_b:F-U, expected UF9 to be UF5" +mp-1760,UF5,-7.3093821329,-3.834581325,0.0450907821,-0.0144444575,GGA,I-42d,A5B_tI48_122_d2e_d:F-U,24.0,"Invalid WP multiplicities - A5B_tI48_122_d3e_d:F-U, expected UF7 to be UF5" +mp-287,UF4,-7.7532215953,-3.9657564193,0.0,-0.1044481873,GGA,C2/c,A4B_mC60_15_ce5f_ef:F-U,30.0,"Invalid WP multiplicities - A4B_mC60_15_ae6f_ef:F-U, expected U3F14 to be UF4" +mp-2275,UF6,-6.9399126404,-3.6884435239,0.0,-0.3630102893,GGA,Pnma,A6B_oP28_62_2c2d_c:F-U,28.0,A6B_oP28_62_2c2d_c:F-U +mp-672341,UF6,-6.9356922632,-3.6842231468,0.0042203771,-0.3587899121,GGA,Pnma,A6B_oP28_62_2c2d_c:F-U,28.0,"Invalid WP multiplicities - A6B_oP28_62_7c10d_c:F-U, expected UF27 to be UF6" +mp-1187763,UF,-8.24364425,-1.6421997612,0.8538443275,0.8538443275,GGA,P-6m2,AB_hP2_187_a_d:F-U,2.0,AB_hP2_187_a_d:F-U +mp-20276,U2F9,-7.5208626977,-3.9039417225,0.0148596174,0.0148596174,GGA,I-43m,A9B2_cI44_217_eg_c:F-U,22.0,"Invalid WP multiplicities - A9B2_cI44_217_2eg_c:F-U, expected UF6 to be U2F9" +mp-18299,UF3,-8.0005278613,-3.7440661331,0.0,-0.02616949,GGA,P6_3cm,A3B_hP24_185_ab2c_c:F-U,24.0,A3B_hP24_185_ab2c_c:F-U +mp-865239,UF3,-7.85759351,-3.6011317819,0.1429343513,0.1167648613,GGA,I4/mmm,A3B_tI8_139_ad_b:F-U,4.0,A3B_tI8_139_ad_b:F-U +mp-1216702,UF3,-7.970932355,-3.7144706269,0.0295955063,0.0034260163,GGA,P-3m1,A3B_hP4_164_ad_b:F-U,4.0,A3B_hP4_164_ad_b:F-U +mp-1187747,UF3,-7.84903607,-3.5925743419,0.1514917913,0.1253223013,GGA,Fm-3m,A3B_cF16_225_ac_b:F-U,4.0,A3B_cF16_225_ac_b:F-U +mp-1224394,HfUN2,-11.2275229725,-1.74712575,0.0,-0.0378306125,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-U,4.0,AB2C_hR12_166_a_c_b:Hf-N-U +mp-1247440,Ca5VN5,-6.769115538,-1.2423537111,0.0,-0.0728680359,GGA,Pbcm,A5B5C_oP44_57_c2de_3de_d:Ca-N-V,44.0,A5B5C_oP44_57_c2de_3de_d:Ca-N-V +mp-1245355,CaVN2,-8.1231774936,-1.1825535436,0.177622977,0.177622977,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-V,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-V +mp-1246019,Ca3V3N5,-7.9742231036,-1.160496515,0.126377471,0.126377471,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-V,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-V +mp-1246211,Ca(VN2)2,-8.7093458948,-1.0637185062,0.1107617412,0.1107617412,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ca-N-V,84.0,AB4C2_cP84_205_ac_2d_d:Ca-N-V +mp-9029,Ca3VN3,-6.9455554686,-1.2155282564,0.0,-0.0270833414,GGA,Cmcm,A3B3C_oC28_63_cg_cg_c:Ca-N-V,14.0,"Invalid WP multiplicities - A3B3C_oC28_63_c2g_c2g_c:Ca-N-V, expected Ca5VN5 to be Ca3VN3" +mp-1384645,Ca5(VN3)2,-7.02397675,-1.0074551277,0.277627015,0.277627015,GGA,Pm,A5B6C2_mP13_6_2a3b_3a3b_ab:Ca-N-V,13.0,A5B6C2_mP13_6_2a3b_3a3b_ab:Ca-N-V +mp-1029737,Ca4VN4,-6.7955875911,-1.1897781144,0.0421434754,0.0421434754,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-V +mp-1246392,Ca7(VN3)3,-7.4086694997,-1.2865973053,0.0241099534,0.0241099534,GGA,P2_1/m,A7B9C3_mP38_11_e3f_3e3f_3e:Ca-N-V,38.0,A7B9C3_mP38_11_e3f_3e3f_3e:Ca-N-V +mp-1246411,Ca3(VN2)2,-7.4636067361,-1.0713187939,0.1878096306,0.1878096306,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-V,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-V +mp-1246086,Ca3(VN2)2,-7.543499716899999,-1.1512117747,0.1079166498,0.1079166498,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-V,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-V +mp-1406978,Ca(VN)2,-7.85071862,-0.481438246,0.7102105111,0.7102105111,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Ca-N-V,5.0,AB2C2_tP5_115_a_g_f:Ca-N-V +mp-1407010,Ca2VN2,-6.996584554,-1.042965418,0.1089298281,0.1089298281,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ca-N-V,10.0,A2B2C_mC20_12_2i_2i_i:Ca-N-V +mp-1245382,Ca7VN6,-6.3105066714,-1.0860727586,0.0777588898,0.0777588898,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-V,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-V +mp-17892,Ca2VN3,-7.7169934442,-1.3662283433,0.0,-0.1299449913,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ca-N-V,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_4f_2e2f_f:Ca-N-V, expected Ca4VN3 to be Ca2VN3" +mp-1392290,Ca2VN3,-7.009293975,-0.6585288742000001,0.7076994692,0.5777544778,GGA,Amm2,A2B3C_oC24_38_abd_abde_ab:Ca-N-V,12.0,"Invalid WP multiplicities - A2B3C_oC24_38_ab2d_ab2d2e_ab:Ca-N-V, expected Ca3VN5 to be Ca2VN3" +mp-1247549,Ca11(VN5)2,-6.0437413376,-0.6700735085,0.5204020301,0.5204020301,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-V,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-V +mp-21819,U2Cr30P19,-8.6092379671,-0.4714538152,0.0102998574,0.0102998574,GGA,P-6,A30B19C2_hP51_174_5j5k_a3j3k_cf:Cr-P-U,51.0,"Invalid WP multiplicities - A30B19C2_hP51_174_7j7k_a3j4k_cf:Cr-P-U, expected UCr21P11 to be U2Cr30P19" +mp-580155,U(Cr3P2)2,-8.7936651823,-0.5334011044,0.0,-0.0053398552,GGA,Pmmn,A6B4C_oP22_59_2a2e_abe_b:Cr-P-U,22.0,"Invalid WP multiplicities - A6B4C_oP22_59_4a6e_2a2b2e_b:Cr-P-U, expected U(Cr2P)8 to be U(Cr3P2)2" +mp-29005,U(Cr3P2)2,-8.7925137373,-0.5322496594,0.001151445,-0.0041884102,GGA,P-6m2,A6B4C_hP11_187_jk_ak_c:Cr-P-U,11.0,"Invalid WP multiplicities - A6B4C_hP11_187_2j3k_ak_c:Cr-P-U, expected UCr15P4 to be U(Cr3P2)2" +mp-505155,UCr5P3,-8.9475452067,-0.5257057756,0.0,-0.0140474955,GGA,P2_1/m,A5B3C_mP18_11_5e_3e_e:Cr-P-U,18.0,A5B3C_mP18_11_5e_3e_e:Cr-P-U +mp-1210404,Nb3VF6,-6.711426032,-1.6257565325,0.9552459717,0.9552459717,GGA+U,P-1,A6B3C_aP10_2_3i_bce_a:F-Nb-V,10.0,A6B3C_aP10_2_3i_bce_a:F-Nb-V +mp-1237137,Nb3VF6,-6.485584826,-1.3999153265,1.1810871777,1.1810871777,GGA+U,P-1,A6B3C_aP10_2_3i_bce_a:F-Nb-V,10.0,A6B3C_aP10_2_3i_bce_a:F-Nb-V +mp-557023,NbVF6,-6.9966489438,-3.1648883294,0.0003793898,0.0003793898,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Nb-V,8.0,A6BC_hR24_148_f_a_b:F-Nb-V +mp-1210162,NbV3F6,-6.465653257,-1.5834635515,1.116493955,1.116493955,GGA+U,P-1,A6BC3_aP10_2_3i_a_bce:F-Nb-V,10.0,A6BC3_aP10_2_3i_a_bce:F-Nb-V +mp-1219534,ReBW,-10.91878662,-0.2247702247,0.0346212569,0.0346212569,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Re-W,6.0,ABC_oF24_69_f_g_h:B-Re-W +mp-28607,UReB3,-9.309563073,-0.5547405715,0.0,-0.0442597784,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:B-Re-U,10.0,A3BC_hP10_194_h_a_c:B-Re-U +mp-1187853,UReB4,-8.9473347508,-0.5384173711,0.0007136692,-0.0066252852,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Re-U,24.0,A4BC_oP24_55_4h_g_g:B-Re-U +mp-1102585,UReB4,-8.94804842,-0.5391310403,0.0,-0.0073389544,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Re-U,12.0,A4BC_oC24_65_gip_h_j:B-Re-U +mp-1202234,U2ReB6,-8.9112948281,-0.5664395136,0.0,-0.0122936992,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Re-U,36.0,A6BC2_oP36_55_6h_g_2g:B-Re-U +mp-1224535,Hf9B2W3,-10.2148782757,-0.0828871685,0.1907943893,0.1907943893,GGA,P6_3/mmc,A2B9C3_hP28_194_ac_hk_h:B-Hf-W,28.0,A2B9C3_hP28_194_ac_hk_h:B-Hf-W +mp-1212438,Hf9BW4,-10.7432411257,-0.1627686999,0.0203746343,0.0203746343,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:B-Hf-W,28.0,AB9C4_hP28_194_c_hk_ah:B-Hf-W +mp-1018731,HoSI,-5.5236997217,-2.1262913594,0.0,-0.061383283,GGA,Pmmn,ABC_oP6_59_b_a_a:Ho-I-S,6.0,ABC_oP6_59_b_a_a:Ho-I-S +mp-1071868,KN2,-5.1362584617,0.7915378040000001,1.1629511858,1.1629511858,GGA,Cmc2_1,AB2_oC12_36_a_2a:K-N,6.0,AB2_oC12_36_a_2a:K-N +mp-1180757,KN2,-5.0698773883,0.8579188773,1.2293322591,1.2293322591,GGA,Cmcm,AB2_oC12_63_c_2c:K-N,6.0,AB2_oC12_63_c_2c:K-N +mp-1206884,KN2,-6.25866064,-0.3308643743,0.0405490074,0.0405490074,GGA,Immm,AB2_oI6_71_a_f:K-N,3.0,AB2_oI6_71_a_f:K-N +mp-11801,K3N,-2.522086125,0.3948368165,0.5341168347,0.5341168347,GGA,P6_3/mcm,A3B_hP8_193_g_b:K-N,8.0,A3B_hP8_193_g_b:K-N +mp-1247265,K2TiN2,-5.852931736,-0.4950757839,0.3751498763,0.3751498763,GGA,P-3m1,A2B2C_hP5_164_d_d_a:K-N-Ti,5.0,A2B2C_hP5_164_d_d_a:K-N-Ti +mp-1064647,KN,-3.5379900425,1.1854568935,1.4640169298,1.4640169298,GGA,Pmmn,AB_oP4_59_a_b:K-N,4.0,AB_oP4_59_a_b:K-N +mp-1064119,KN,-3.538389855,1.185057081,1.4636171173,1.4636171173,GGA,P4/nmm,AB_tP4_129_c_c:K-N,4.0,AB_cF8_225_a_b:K-N +mp-1058689,KN,-3.539414515,1.184032421,1.4625924573,1.4625924573,GGA,Fm-3m,AB_cF8_225_a_b:K-N,2.0,AB_cF8_225_a_b:K-N +mp-827,KN3,-6.947810985,-0.4178400545,0.0,-0.1696917737,GGA,I4/mcm,AB3_tI16_140_a_dh:K-N,8.0,AB3_tI16_140_a_dh:K-N +mp-636056,KN3,-5.9108338512,0.6191370793000001,1.0369771337,0.86728536,GGA,I4/mcm,AB3_tI16_140_c_ah:K-N,8.0,"Invalid WP multiplicities - AB3_tI16_140_c_a2h:K-N, expected KN5 to be KN3" +mp-1245438,V3CrN3,-9.8124248207,-0.9675318986,0.1827718607,0.1827718607,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Cr-N-V,14.0,AB3C3_hP14_194_c_h_h:Cr-N-V +mp-1216389,VCrN2,-9.731694985,-0.8792091375000001,0.1375697475,0.1375697475,GGA,R-3m,AB2C_hR12_166_a_c_b:Cr-N-V,4.0,AB2C_hR12_166_a_c_b:Cr-N-V +mp-1195074,U2PbS5,-7.3595243722,-1.4873098191,0.0,-0.0121499459,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Pb-S-U,32.0,AB5C2_mP32_14_e_5e_2e:Pb-S-U +mp-1195931,U2PbS5,-7.2235087534,-1.3512942004,0.1360156188,0.1238656728,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Pb-S-U,32.0,AB5C2_oP32_62_c_3cd_d:Pb-S-U +mp-28724,Gd2CI,-10.5792498475,-0.8656807669000001,0.0,-0.0532316022,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Gd-I,8.0,AB2C_hP8_194_a_f_c:C-Gd-I +mp-1104611,Gd3CI3,-9.1972716936,-1.2148243704,0.0,-0.6811038683,GGA,P2_1/m,AB3C3_mP14_11_e_3e_3e:C-Gd-I,14.0,AB3C3_mP14_11_e_3e_3e:C-Gd-I +mp-21862,VRu3C,-9.123774186,0.1033816505,0.302494621,0.302494621,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-V,5.0,AB3C_cP5_221_b_c_a:C-Ru-V +mp-1189984,YMoC2,-9.17921693,-0.2368538779,0.0,-0.0072763771,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mo-Y,16.0,A2BC_oP16_62_2c_c_c:C-Mo-Y +mp-1223098,La4YC10,-8.0419500147,-0.1421397174,0.0373368687,0.0373368687,GGA,Fmmm,A10B4C_oF60_69_g2n_2i_a:C-La-Y,15.0,"Invalid WP multiplicities - A10B4C_oF60_69_2g5n_3i_a:C-La-Y, expected La6YC24 to be La4YC10" +mp-1223273,La(YC3)2,-8.3111705544,-0.1732880781,0.05106021,0.05106021,GGA,C2/m,A6BC2_mC18_12_3i_a_i:C-La-Y,9.0,"Invalid WP multiplicities - A6BC2_mC18_12_6i_a_i:C-La-Y, expected La(YC6)2 to be La(YC3)2" +mp-1222904,LaYC3,-7.9992604465,-0.1815655073,0.0538567805,0.0538567805,GGA,I2_13,A3BC_cI40_199_2b_a_a:C-La-Y,20.0,"Invalid WP multiplicities - A3BC_cI40_199_6b_a_a:C-La-Y, expected LaYC9 to be LaYC3" +mp-1223086,La2YC6,-8.13207021,-0.1642392902,0.0280577822,0.0280577822,GGA,C2/m,A6B2C_mC18_12_3i_i_a:C-La-Y,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_6i_i_a:C-La-Y, expected La2YC12 to be La2YC6" +mp-1105571,UReC2,-10.72083659,-0.172519545,0.0,-0.0160406972,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Re-U,16.0,A2BC_oP16_62_2c_c_c:C-Re-U +mp-1025230,U2Re2C3,-10.9156716643,-0.1788329689,0.0,-0.0238200787,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Re-U,7.0,A3B2C2_mC14_12_ai_i_i:C-Re-U +mp-1078133,U2Re2C3,-10.8188543457,-0.0820156504,0.0968173186,0.0729972399,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Re-U,7.0,A3B2C2_mC14_12_ai_i_i:C-Re-U +mp-680561,U5Re3C8,-10.6559104284,-0.1796632069,0.0,-0.0193215447,GGA,P4/mbm,A8B3C5_tP32_127_ghi_ag_dj:C-Re-U,32.0,"Invalid WP multiplicities - A8B3C5_tP32_127_3g4h6i_2a2g_2d2j:C-Re-U, expected U5Re3C19 to be U5Re3C8" +mp-754474,USiS,-8.0446848667,-1.0936255644,0.0368342903,0.0368342903,GGA,P4/nmm,ABC_tP6_129_c_a_c:S-Si-U,6.0,ABC_tP6_129_c_a_c:S-Si-U +mp-7932,USiS,-7.4660859433,-0.5150266410000001,0.6154332136,0.6154332136,GGA,P4/nmm,ABC_tP6_129_a_c_c:S-Si-U,6.0,ABC_tP6_129_a_c_c:S-Si-U +mp-1216882,U5SiS4,-9.153459641,-1.3106428863,0.0433935325,0.0433935325,GGA,I4/m,A4BC5_tI20_87_h_a_bh:S-Si-U,10.0,"Invalid WP multiplicities - A4BC5_tI20_87_h_a_b2h:S-Si-U, expected U9SiS4 to be U5SiS4" +mp-1245845,GaW2N3,-9.0846483287,-0.0923414525,0.4861080304,0.4861080304,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ga-N-W,24.0,AB3C2_mC48_15_f_2e2f_2f:Ga-N-W +mp-635460,V3AuN,-5.54859677,2.223822257,2.8877223947,2.8877223947,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-N-V,5.0,ABC3_cP5_221_b_a_c:Au-N-V +mp-1209808,Np2I2O,-7.35992662,-0.6021304652,1.2127165612,1.2127165612,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:I-Np-O,5.0,A2B2C_tP5_123_g_g_a:I-Np-O +mp-555999,Np(IO3)4,-5.8825624329,-1.282473632,0.0399454244,0.0399454244,GGA,P4_2/n,A4BC12_tP34_86_g_a_3g:I-Np-O,34.0,"Invalid WP multiplicities - A4BC12_tP34_86_g_a_18g:I-Np-O, expected Np(IO18)4 to be Np(IO3)4" +mp-1212228,Np(IO3)2,-6.7886457903,-1.7247963849,0.0527211497,0.0527211497,GGA,P4_2/n,A2BC6_tP36_86_g_c_3g:I-Np-O,36.0,A2BC6_tP36_86_g_c_3g:I-Np-O +mp-23315,IO3,-4.7013152406,-0.6229571197,0.0524039373,0.0524039373,GGA,P-1,AB3_aP16_2_2i_6i:I-O,16.0,AB3_aP16_2_2i_6i:I-O +mp-1181185,IO3,-4.5882916075,-0.5099334866,0.1654275705,0.1654275705,GGA,P2_12_12_1,AB3_oP16_19_a_3a:I-O,16.0,AB3_oP16_19_a_3a:I-O +mp-23170,IO2,-4.5031186013,-0.7142040104,0.0061811171,0.0061811171,GGA,P2_1/c,AB2_mP24_14_2e_4e:I-O,24.0,AB2_mP24_14_2e_4e:I-O +mp-1181130,IO6,-4.17456187,0.2759379325,0.6618585365,0.6618585365,GGA,P2_1/c,AB6_mP28_14_e_6e:I-O,28.0,AB6_mP28_14_e_6e:I-O +mp-1204846,NpI2O9,-6.5096698546,-1.4751106227,0.0,-0.0069002604,GGA,Pbcn,A2BC9_oP48_60_d_c_c4d:I-Np-O,48.0,A2BC9_oP48_60_d_c_c4d:I-Np-O +mp-23261,I2O5,-4.7261521018,-0.771841208,0.0,-0.109778278,GGA,P2_1/c,A2B5_mP28_14_2e_5e:I-O,28.0,A2B5_mP28_14_2e_5e:I-O +mp-556939,NpIO,-8.9244866317,-2.4685417175,0.0,-0.1113122033,GGA,P4/nmm,ABC_tP6_129_c_c_a:I-Np-O,6.0,ABC_tP6_129_c_c_a:I-Np-O +mp-727952,I3O8,-4.6367402107,-0.6373212343,0.0994362824,0.0994362824,GGA,P2_1/c,A3B8_mP44_14_3e_8e:I-O,44.0,A3B8_mP44_14_3e_8e:I-O +mp-30279,NpIO5,-7.7245242439,-2.1310114457,0.0,-0.0203762138,GGA,Pna2_1,ABC5_oP28_33_a_a_5a:I-Np-O,28.0,ABC5_oP28_33_a_a_5a:I-Np-O +mp-504781,NpI3,-5.5934271675,-1.2514574847,0.0,-1.2514574847,GGA,Cmcm,A3B_oC16_63_cf_c:I-Np,8.0,A3B_oC16_63_cf_c:I-Np +mp-1196338,ScI5N3,-3.9624287164,0.3385474647,1.1244042272,1.1244042272,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:I-N-Sc,36.0,A5B3C_oP36_62_3cd_cd_c:I-N-Sc +mp-989699,LaWN3,-7.356971856,1.223752566,2.446128064,2.147820021,GGA,Cm,AB3C_mC10_8_a_ab_a:La-N-W,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:La-N-W, expected LaWN5 to be LaWN3" +mp-989646,LaWN3,-9.787013003,-1.206288581,0.016086917,-0.282221126,GGA,P2_1/m,AB3C_mP10_11_e_3e_e:La-N-W,10.0,AB3C_mP10_11_e_3e_e:La-N-W +mp-989633,LaWN3,-9.7921998565,-1.2114754345,0.0109000635,-0.2874079795,GGA,C2/c,AB3C_mC40_15_2e_3f_f:La-N-W,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_8f_f:La-N-W, expected La3(WN8)2 to be LaWN3" +mp-989626,LaWN3,-9.788354515,-1.207630093,0.014745405,-0.283562638,GGA,Amm2,AB3C_oC20_38_2b_2ade_d:La-N-W,10.0,AB3C_oC20_38_2b_2ade_d:La-N-W +mp-989630,LaWN3,-9.7724905965,-1.1917661745,0.0306093235,-0.2676987195,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-N-W,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c2d_a:La-N-W, expected LaWN6 to be LaWN3" +mp-989497,LaWN3,-9.78459777,-1.203873348,0.01850215,-0.279805893,GGA,P4mm,AB3C_tP5_99_b_ac_a:La-N-W,5.0,AB3C_tP5_99_b_ac_a:La-N-W +mp-989601,LaWN3,-9.779770772,-1.19904635,0.023329148,-0.274978895,GGA,R3m,AB3C_hR15_160_a_b_a:La-N-W,5.0,AB3C_hR15_160_a_b_a:La-N-W +mp-989524,LaWN3,-9.80309992,-1.222375498,0.0,-0.298308043,GGA,R3c,AB3C_hR30_161_a_b_a:La-N-W,10.0,AB3C_hR30_161_a_b_a:La-N-W +mp-989455,LaWN3,-9.769006789,-1.188282367,0.034093131,-0.264214912,GGA,R-3c,AB3C_hR30_167_a_e_b:La-N-W,10.0,AB3C_hR30_167_a_e_b:La-N-W +mp-1208258,Th2I2N,-5.570202704,-0.348013879,1.2913652562,1.2913652562,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-N-Th,5.0,A2BC2_tP5_123_g_a_g:I-N-Th +mp-28067,ThIN,-7.79355633,-2.0523164883,0.0,-0.3350505331,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-N-Th,6.0,ABC_tP6_129_c_a_c:I-N-Th +mp-1246347,Na3YN2,-4.9063474271,-0.3885079531,0.3165146517,0.3165146517,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:N-Na-Y,24.0,A2B3C_mP24_14_2e_3e_e:N-Na-Y +mp-1245753,Na3YN2,-5.0121375052,-0.4942980313,0.2107245735,0.2107245735,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Y,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Y +mp-1210418,Na3YN4,-5.6430564063,-0.1705530695,0.4820741184,0.4820741184,GGA,Fddd,A4B3C_oF128_70_2h_ch_d:N-Na-Y,32.0,A4B3C_oF128_70_2h_ch_d:N-Na-Y +mp-1106331,Na3YN6,-4.690770281,1.3545313734,1.9757213111,1.9757213111,GGA,Fddd,A6B3C_oF80_70_eh_af_b:N-Na-Y,20.0,A6B3C_oF80_70_eh_af_b:N-Na-Y +mp-1185008,KAcO3,-6.231918364,-2.2175903463,0.2072511535,0.2072511535,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ac-K-O,5.0,ABC3_cP5_221_b_a_c:Ac-K-O +mp-1207919,UGeI6,-4.0180175994,-0.9236881038,0.0558857888,0.0558857888,GGA,P-31c,AB6C_hP16_163_c_i_b:Ge-I-U,16.0,AB6C_hP16_163_c_i_b:Ge-I-U +mp-1245344,YMnN2,-9.0245545153,-0.9491854515,0.2235759647,0.2235759647,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Mn-N-Y,64.0,AB2C_oP64_61_2c_4c_2c:Mn-N-Y +mp-1246072,Y2Mn3N4,-9.1307047561,-0.9345972225,0.1361949664,0.1361949664,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Mn-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Mn-N-Y +mp-28862,Y6RuI10,-5.1603376276,-1.4658145265,0.0,-0.0010260498,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Ru-Y,17.0,"Invalid WP multiplicities - A10BC6_aP17_2_6i_a_4i:I-Ru-Y, expected Y8RuI12 to be Y6RuI10" +mp-28747,Y3RuI3,-5.9139980064,-1.1862958736,0.0,-0.010555624,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:I-Ru-Y,14.0,A3BC3_mP14_11_3e_e_3e:I-Ru-Y +mp-28840,Y4RuI5,-5.5677818935,-1.3170700192,0.0,-0.0115005303,GGA,P4_2/nnm,A5BC4_tP80_134_k2mn_m_2mn:I-Ru-Y,80.0,A5BC4_tP80_134_k2mn_m_2mn:I-Ru-Y +mp-1245867,VGeN2,-8.0673572331,-0.4723762894,0.3070384572,0.3070384572,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ge-N-V,16.0,AB2C_oP16_62_c_2c_c:Ge-N-V +mp-1079695,V3GeN,-8.835094886,-0.792846688,0.0,-0.0167269886,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ge-N-V,10.0,ABC3_oC20_63_c_a_cf:Ge-N-V +mp-1183168,AcVO3,-8.750861914,-3.1418324718,0.0,-0.0049611039,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ac-O-V,5.0,AB3C_cP5_221_a_c_b:Ac-O-V +mp-1183094,Ac3V,-4.8676042225,0.4942535506,0.4942535506,0.4942535506,GGA,I4/mmm,A3B_tI8_139_ad_b:Ac-V,4.0,A3B_tI8_139_ad_b:Ac-V +mp-1246572,ZrWN3,-10.269462434,-0.966399307,0.1412863917,0.1412863917,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-W-Zr,20.0,A3BC_aP20_2_6i_2i_2i:N-W-Zr +mp-3402,UTeN,-9.0677835883,-1.4773799789,0.0,-0.1165640872,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Te-U,6.0,ABC_tP6_129_a_c_c:N-Te-U +mp-1207956,U2Te2N,-7.383279104,0.0579062423,1.2931842002,1.2931842002,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:N-Te-U,5.0,AB2C2_tP5_123_a_g_g:N-Te-U +mp-5505,U2TeN2,-10.052096856,-1.5722737033,0.0,-0.089823207,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:N-Te-U,5.0,A2BC2_tI10_139_d_a_e:N-Te-U +mp-1219900,Pr2UP3,-7.5015854617,-1.3193972883,0.010110245,0.010110245,GGA,Immm,A3B2C_oI12_71_ae_f_c:P-Pr-U,6.0,A3B2C_oI12_71_ae_f_c:P-Pr-U +mp-1219730,PrUP2,-7.9103056825,-1.1855754879,0.05354919,0.05354919,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:P-Pr-U,4.0,A2BC_tP4_123_ad_b_c:P-Pr-U +mp-1070761,Ni(BW)2,-9.446659816,-0.4356236797,0.0,-0.0348604786,GGA,Immm,A2BC2_oI10_71_e_c_g:B-Ni-W,5.0,A2BC2_oI10_71_e_c_g:B-Ni-W +mp-1104181,Ni(BW)3,-9.6647333729,-0.4229187039,0.0,-0.0067089025,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:B-Ni-W,14.0,A3BC3_oC28_63_cf_a_cf:B-Ni-W +mp-1106229,YB2Os,-8.3271896644,-0.5640341431,0.0,-0.008214331,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Os-Y,16.0,A2BC_oP16_62_d_c_c:B-Os-Y +mp-571209,Y3(B3Os4)2,-9.1552330788,-0.3731917021,0.024950046,0.024950046,GGA,Fmmm,A6B8C3_oF68_69_gn_fij_ai:B-Os-Y,17.0,"Invalid WP multiplicities - A6B8C3_oF68_69_2g2n_2f2i2j_ai:B-Os-Y, expected Y3(B3Os4)4 to be Y3(B3Os4)2" +mp-1201886,Y2B6Os,-7.7798209092,-0.6424142112,0.0,-0.0652306206,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-Y,36.0,A6BC2_oP36_55_6h_g_2g:B-Os-Y +mp-980205,YB4Os,-7.971494655,-0.5695937172000001,0.0,-0.0262728112,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Os-Y,24.0,A4BC_oP24_55_4h_g_g:B-Os-Y +mp-1191160,GdVB4,-8.990688045,-0.6777554794,0.0,-0.0009257447,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Gd-V,24.0,A4BC_oP24_55_4h_g_g:B-Gd-V +mp-557073,NpV4O12,-8.9409437722,-2.550139743,0.0122511606,0.0122511606,GGA+U,I4_1/acd,AB12C4_tI136_142_b_de2g_g:Np-O-V,68.0,"Invalid WP multiplicities - AB12C4_tI136_142_b_7d8e22g_g:Np-O-V, expected NpV4O118 to be NpV4O12" +mp-1018644,YBPt3,-7.00377801,-0.7319254412,0.0956104422,0.0956104422,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pt-Y,5.0,AB3C_cP5_221_b_c_a:B-Pt-Y +mp-5971,YBPt2,-7.3233302742,-1.0012978931,0.0,-0.1298776676,GGA,P6_222,AB2C_hP12_180_d_i_c:B-Pt-Y,12.0,AB2C_hP12_180_d_i_c:B-Pt-Y +mp-1217992,Ta3B4W3,-10.574624558,-0.4580954917,0.108188076,0.108188076,GGA,Amm2,A4B3C3_oC20_38_2ad_bd_be:B-Ta-W,10.0,A4B3C3_oC20_38_2ad_bd_be:B-Ta-W +mp-1217974,TaB4W3,-10.1575876075,-0.4763706821,0.0026041909,0.0026041909,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:B-Ta-W,8.0,A4BC3_oP8_25_abcd_a_bcd:B-Ta-W +mp-1205254,U6Al43W4,-5.4546903313,-0.1595819979,0.0,-0.0165767293,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-U-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-U-W +mp-1246637,Y2Zn3N4,-6.349370725,-0.787353752,0.0603247128,0.0603247128,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Y-Zn,18.0,A4B2C3_mC36_15_2f_f_ef:N-Y-Zn +mp-1246423,BMoN3,-8.935687886,-0.4287825548,0.3785159617,0.3785159617,GGA,P-1,ABC3_aP20_2_2i_2i_6i:B-Mo-N,20.0,ABC3_aP20_2_2i_2i_6i:B-Mo-N +mp-28040,Hf(BH4)4,-4.6473617062,-0.3160106189,0.0,-0.1055288086,GGA,P-43m,A4B16C_cP21_215_e_ei_a:B-H-Hf,21.0,"Invalid WP multiplicities - A4B16C_cP21_215_e_e2i_a:B-H-Hf, expected Hf(BH7)4 to be Hf(BH4)4" +mp-1207598,YPd3S4,-5.9548770212,-1.1358875199,0.0,-0.0105614369,GGA,Pm-3n,A3B4C_cP16_223_c_e_a:Pd-S-Y,16.0,A3B4C_cP16_223_c_e_a:Pd-S-Y +mp-1207423,Zr9W4S,-9.7944732154,-0.3017391827,0.0362053538,0.0362053538,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:S-W-Zr,28.0,AB4C9_hP28_194_c_ah_hk:S-W-Zr +mp-1206491,U2AsS2,-6.914104406,0.1888632258,1.6250516257,1.6250516257,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-S-U,5.0,AB2C2_tP5_123_a_g_g:As-S-U +mp-1208607,U2AsS2,-4.963992386,2.1389752458,3.5751636457,3.5751636457,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-S-U,5.0,AB2C2_tP5_123_a_g_g:As-S-U +mp-4374,UAsS,-7.9968361883,-1.301176761,0.0,-0.0945686386,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-U,6.0,ABC_tP6_129_a_c_c:As-S-U +mp-1216688,U2AsS,-9.0168623525,-1.1722652795,0.0004306175,0.0004306175,GGA,R-3m,ABC2_hR12_166_a_b_c:As-S-U,4.0,ABC2_hR12_166_a_b_c:As-S-U +mp-1181428,DyWC2,-9.2882978088,-0.282735795,0.0,-0.0553834469,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Dy-W,16.0,A2BC_oP16_62_2c_c_c:C-Dy-W +mp-29337,Tl3BS3,-4.3762962771,-0.6367718755,0.0,-0.0086868875,GGA,P2_1/m,AB3C3_mP14_11_e_ef_ef:B-S-Tl,14.0,AB3C3_mP14_11_e_ef_ef:B-S-Tl +mp-8946,TlBS2,-5.0443936662,-0.7156600034,0.0,-0.0378079098,GGA,R-3m,AB2C_hR72_166_h_2h_h:B-S-Tl,24.0,AB2C_hR72_166_h_2h_h:B-S-Tl +mp-28809,TlBS3,-4.9664970925,-0.6762201889,0.0068765682,0.0068765682,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:B-S-Tl,20.0,AB3C_mP20_14_e_3e_e:B-S-Tl +mp-17823,Tl3B3S10,-4.9556186594,-0.6749559455,0.0,-0.0175161827,GGA,P-1,A3B10C3_aP32_2_3i_10i_3i:B-S-Tl,32.0,A3B10C3_aP32_2_3i_10i_3i:B-S-Tl +mp-1018645,YPt3C,-7.043953656,-0.2622463428,0.5129414185,0.5129414185,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pt-Y,5.0,AB3C_cP5_221_b_c_a:C-Pt-Y +mp-568326,Pr2WC2,-8.3573351305,-0.1618805855,0.0,-0.0663613688,GGA,P4_2/mnm,A2B2C_tP20_136_ce_j_f:C-Pr-W,20.0,"Invalid WP multiplicities - A2B2C_tP20_136_c2e_j_f:C-Pr-W, expected Pr2WC3 to be Pr2WC2" +mp-975787,PrW3,-10.1486249375,0.7651991738,0.7651991738,0.7651991738,GGA,Fm-3m,AB3_cF16_225_a_bc:Pr-W,4.0,AB3_cF16_225_a_bc:Pr-W +mp-1219519,ReW2C,-11.6902523175,0.2071109669,0.2679596038,0.2679596038,GGA,P3m1,ABC2_hP8_156_2b_2a_a3c:C-Re-W,8.0,ABC2_hP8_156_2b_2a_a3c:C-Re-W +mp-16877,Re2W3C,-12.1385105296,0.0268412292,0.0674069871,0.0674069871,GGA,P4_132,AB2C3_cP24_213_a_c_d:C-Re-W,24.0,AB2C3_cP24_213_a_c_d:C-Re-W +mp-1013939,TiSF,-7.0372809139,-2.3894739635,0.1904612878,0.1904612878,GGA,Pnma,ABC_oP36_62_3c_3c_3c:F-S-Ti,36.0,ABC_oP36_62_3c_3c_3c:F-S-Ti +mp-30216,K2ReI6,-3.5437180378,-0.9319932401,0.0,-0.0015724057,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:I-K-Re,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_7e_e_a:I-K-Re, expected K2ReI14 to be K2ReI6" +mp-1245661,Pb3W3N5,-8.3920372732,-0.0561457709,0.3850716936,0.3850716936,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-W,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-W +mp-1247501,Ca3Y2N4,-7.0012539489,-1.1906182193,0.1578664197,0.1578664197,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Y +mp-1247388,Ca3Y2N4,-6.8810616061,-1.0704258765,0.2780587625,0.2780587625,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Y,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Y +mp-1247270,Ca3Y3N5,-7.412185385,-1.3123046936,0.1305186193,0.1305186193,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Y,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Y +mp-1245421,Ca3YN3,-6.2980775336,-0.941969601,0.2582685504,0.2582685504,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:Ca-N-Y,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:Ca-N-Y, expected Ca6YN6 to be Ca3YN3" +mp-1246302,Sr3VN3,-6.6456552879,-1.0511022586,0.0663762287,0.0663762287,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-V,14.0,A3B3C_hP14_176_h_h_c:N-Sr-V +mp-1246350,Sr2VN2,-6.724672141,-0.8974955757,0.1720378644,0.1720378644,GGA,Cmce,A2B2C_oC40_64_2f_2f_f:N-Sr-V,20.0,A2B2C_oC40_64_2f_2f_f:N-Sr-V +mp-1247421,Sr3(VN2)2,-7.2320792722,-0.9451601389,0.24321035,0.24321035,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Sr-V,18.0,A4B3C2_mC36_15_2f_ef_f:N-Sr-V +mp-1247427,Sr3(VN2)2,-7.3473446603,-1.0604255269,0.127944962,0.127944962,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-V,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-V +mp-1246089,Sr4VN4,-6.5022954594,-1.036977728,0.0543740497,0.0543740497,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Sr-V,18.0,A4B4C_aP18_2_4i_4i_i:N-Sr-V +mp-1246851,Sr4VN4,-6.3375163378,-0.8721986063,0.2191531714,0.2191531714,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:N-Sr-V,36.0,A4B4C_oP36_62_4c_4c_c:N-Sr-V +mp-1246556,SrVN2,-8.0989419319,-1.2373445885,0.0759543509,0.0759543509,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Sr-V,16.0,A2BC_mP16_14_2e_e_e:N-Sr-V +mp-1246284,Sr3V3N5,-7.7986652827,-1.0711495377,0.1623340432,0.1623340432,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-V,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-V +mp-1247487,SrV7N10,-9.2445051778,-0.9866282226,0.2202992854,0.2202992854,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Sr-V,36.0,A10BC7_mP36_7_10a_a_7a:N-Sr-V +mp-1246716,Sr(VN2)2,-8.6945828342,-1.0941135065,0.0660095278,0.0660095278,GGA,Pa-3,A4BC2_cP84_205_2d_ac_d:N-Sr-V,84.0,A4BC2_cP84_205_2d_ac_d:N-Sr-V +mp-1247227,Sr5(VN3)2,-7.0385088246,-1.1435665972,0.0598717737,0.0598717737,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Sr-V,26.0,A6B5C2_mC52_15_3f_e2f_f:N-Sr-V +mp-17012,Sr2VN3,-7.5491211937,-1.3037249018,0.0,-0.1800980548,GGA,C2/c,A3B2C_mC48_15_2e2f_2f_f:N-Sr-V,24.0,"Invalid WP multiplicities - A3B2C_mC48_15_3e2f_2f_f:N-Sr-V, expected Sr4V2N7 to be Sr2VN3" +mp-1213898,Ce3PI3,-5.39953769,-1.4520135440000002,0.0,-0.0398924714,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ce-I-P,28.0,A3B3C_cI56_214_g_h_a:Ce-I-P +mp-1215416,Zr7V5N2,-9.2291471107,-0.5201167814000001,0.0520161536,0.0520161536,GGA,Imma,A2B5C7_oI56_74_ac_bhi_d2ej:N-V-Zr,28.0,"Invalid WP multiplicities - A2B5C7_oI56_74_ac_b2h2i_d4e2j:N-V-Zr, expected Zr13V9N2 to be Zr7V5N2" +mp-766009,Y11Tm5O24,-9.312580741,-4.0068085302,0.0029434387,0.0029434387,GGA,P1,A24B5C11_aP40_1_24a_5a_11a:O-Tm-Y,40.0,A24B5C11_aP40_1_24a_5a_11a:O-Tm-Y +mp-1187855,YO,-8.80231972,-3.0957398077,0.2139964037,0.2139964037,GGA,P6_3/mmc,AB_hP4_194_c_d:O-Y,4.0,AB_hP4_194_c_d:O-Y +mp-1206610,YO2,-8.580876375,-3.1275935297,0.1821426817,0.1821426817,GGA,P2_1/m,A2B_mP6_11_2e_e:O-Y,6.0,A2B_mP6_11_2e_e:O-Y +mp-1102883,YO2,-8.4458730475,-2.9925902022,0.3171460092,0.3171460092,GGA,P2_1/c,A2B_mP12_14_2e_e:O-Y,12.0,A2B_mP12_14_2e_e:O-Y +mp-1178684,YO2,-8.4820252733,-3.0287424281,0.2809937833,0.2809937833,GGA,C2/c,A2B_mC12_15_f_e:O-Y,6.0,A2B_mC12_15_f_e:O-Y +mp-1977753,YO2,-8.4458479617,-2.9925651164,0.317171095,0.317171095,GGA,C2/c,A2B_mC12_15_f_e:O-Y,6.0,A2B_mC12_15_f_e:O-Y +mp-766258,Y13Tm3O24,-9.397682975,-3.9923789797,0.0021455831,0.0021455831,GGA,P1,A24B3C13_aP40_1_24a_3a_13a:O-Tm-Y,40.0,A24B3C13_aP40_1_24a_3a_13a:O-Tm-Y +mp-766267,Y7TmO12,-9.4400046625,-3.9849347749,0.0019760848,0.0019760848,GGA,I2_12_12_1,A12BC7_oI80_24_6d_a_a2b2cd:O-Tm-Y,40.0,"Invalid WP multiplicities - A12BC7_oI80_24_16d_a_2a2b4c3d:O-Tm-Y, expected Y14TmO32 to be Y7TmO12" +mp-766256,YTmO3,-9.1857923167,-4.0293177827,0.0032752954,0.0032752954,GGA,C2,A3BC_mC80_5_12c_2a3c_2b3c:O-Tm-Y,40.0,A3BC_mC80_5_18c_2a5c_2b5c:O-Tm-Y +mp-753995,YTmO3,-9.1004170215,-3.9439424874,0.0886505906,0.0886505906,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Tm-Y,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:O-Tm-Y, expected YTmO7 to be YTmO3" +mp-768353,YTmO3,-9.1128484897,-3.9563739556,0.0762191225,0.0762191225,GGA,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-Tm-Y,30.0,"Invalid WP multiplicities - A3BC_hP30_185_a3b11c_c_a2b:O-Tm-Y, expected Y5Tm3O40 to be YTmO3" +mp-1189335,YO3,-7.3469626769,-2.0203283651,0.4619737934,0.4619737934,GGA,Pnma,A3B_oP16_62_cd_c:O-Y,16.0,A3B_oP16_62_cd_c:O-Y +mp-1206099,YO3,-7.3486816663,-2.0220473545,0.4602548041,0.4602548041,GGA,P6_3/m,A3B_hP8_176_h_c:O-Y,8.0,A3B_hP8_176_h_c:O-Y +mp-1244888,Y2O3,-9.2838733891,-3.729271717,0.2424117367,-0.6144196761,GGA,P1,A3B2_aP100_1_60a_40a:O-Y,100.0,A3B2_aP100_1_60a_40a:O-Y +mp-1244949,Y2O3,-9.3003276424,-3.7457259703,0.2259574834,-0.6308739294,GGA,P1,A3B2_aP100_1_60a_40a:O-Y,100.0,A3B2_aP100_1_60a_40a:O-Y +mp-1245017,Y2O3,-9.2864530887,-3.7318514166,0.2398320371,-0.6169993757000001,GGA,P1,A3B2_aP100_1_60a_40a:O-Y,100.0,A3B2_aP100_1_60a_40a:O-Y +mp-1245291,Y2O3,-9.265141319,-3.7105396469,0.2611438067,-0.595687606,GGA,P1,A3B2_aP100_1_60a_40a:O-Y,100.0,A3B2_aP100_1_60a_40a:O-Y +mp-777514,Y2O3,-9.4360588085,-3.8814571364,0.0902263172,-0.7666050955,GGA,P2_1/m,A3B2_mP20_11_6e_4e:O-Y,20.0,"Invalid WP multiplicities - A3B2_mP20_11_11e_7e:O-Y, expected Y7O11 to be Y2O3" +mp-775907,Y2O3,-9.4737330727,-3.9191314006,0.0525520531,-0.8042793597,GGA,P2_1/m,A3B2_mP30_11_9e_6e:O-Y,30.0,"Invalid WP multiplicities - A3B2_mP30_11_17e_11e:O-Y, expected Y11O17 to be Y2O3" +mp-558573,Y2O3,-9.4781504027,-3.9235487306,0.0481347231,-0.8086966897000001,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Y,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a7i_4i:O-Y, expected Y8O15 to be Y2O3" +mp-775906,Y2O3,-9.4634620373,-3.9088603652,0.0628230885,-0.7940083243,GGA,Pbca,A3B2_oP40_61_3c_2c:O-Y,40.0,"Invalid WP multiplicities - A3B2_oP40_61_9c_9c:O-Y, expected YO to be Y2O3" +mp-1178770,Y2O3,-9.4032046955,-3.8486030234,0.1230804303,-0.7337509825,GGA,Pnma,A3B2_oP20_62_3c_2c:O-Y,20.0,A3B2_oP20_62_3c_2c:O-Y +mp-1216050,Y2O3,-9.262773512,-3.7081718399,0.2635116138,-0.5933197990000001,GGA,P-4m2,A3B2_tP5_115_abc_g:O-Y,5.0,A3B2_tP5_115_abc_g:O-Y +mp-13061,Y2O3,-9.454078066,-3.8994763939,0.0722070598,-0.784624353,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Y,5.0,A3B2_hP5_164_ad_d:O-Y +mp-754759,Y2O3,-9.474792809,-3.9201911369,0.0514923168,-0.8053390960000001,GGA,R-3c,A3B2_hR30_167_e_c:O-Y,10.0,A3B2_hR30_167_e_c:O-Y +mp-2652,Y2O3,-9.5262851258,-3.9716834537,0.0,-0.8568314128000001,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Y,40.0,A3B2_cI80_206_e_ad:O-Y +mp-673247,Y2O3,-9.033411446,-3.4788097739,0.4928736798,-0.363957733,GGA,Pn-3m,A3B2_cP10_224_d_b:O-Y,10.0,A3B2_cP10_224_d_b:O-Y +mp-757001,Y15TmO24,-9.4826655337,-3.9778297539,0.0014674028,0.0014674028,GGA,C2,A24BC15_mC80_5_12c_a_a2b6c:O-Tm-Y,40.0,"Invalid WP multiplicities - A24BC15_mC80_5_24c_a_a2b10c:O-Tm-Y, expected Y23TmO48 to be Y15TmO24" +mp-759638,Y5Tm11O24,-9.0597846138,-4.0526077564,0.0028264308,0.0028264308,GGA,C2,A24B11C5_mC80_5_12c_a2b4c_a2c:O-Tm-Y,40.0,"Invalid WP multiplicities - A24B11C5_mC80_5_24c_a2b6c_a3c:O-Tm-Y, expected Y7Tm15O48 to be Y5Tm11O24" +mp-30251,YAuO2,-7.4842425112,-2.5758098773,0.0020374419,0.0020374419,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Au-O-Y,8.0,AB2C_hP8_194_c_f_a:Au-O-Y +mp-29076,FeWN2,-9.9138150838,-0.3885297613,0.0948053828,0.0948053828,GGA,P6_3/mmc,AB2C_hP8_194_a_f_b:Fe-N-W,8.0,AB2C_hP8_194_a_f_b:Fe-N-W +mp-1225363,Fe3W5N8,-10.077913405,-0.2721212688,0.2532185078,0.2532185078,GGA,P-6m2,A3B8C5_hP16_187_ag_2h2i_b2g:Fe-N-W,16.0,"Invalid WP multiplicities - A3B8C5_hP16_187_ag_3h4i_b3g:Fe-N-W, expected Fe3(WN2)7 to be Fe3W5N8" +mp-1225423,Fe4W2N,-9.7807186157,-0.0474557264,0.1199167807,0.1199167807,GGA,Cm,A4BC2_mC56_8_8a4b_2ab_2a3b:Fe-N-W,28.0,A4BC2_mC56_8_8a4b_2ab_2a3b:Fe-N-W +mp-1225420,Fe3(WN2)4,-10.020561,-0.4249247367,0.0905119012,0.0905119012,GGA,C2/m,A3B8C4_mC30_12_ai_4i_2i:Fe-N-W,15.0,"Invalid WP multiplicities - A3B8C4_mC30_12_ai_6i_4i:Fe-N-W, expected Fe3(W2N3)4 to be Fe3(WN2)4" +mp-28452,Fe3W3N,-10.5123674879,-0.1379461671,0.0310884109,0.0310884109,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Fe-N-W,28.0,A3BC3_cF112_227_ce_d_f:Fe-N-W +mp-1246939,Fe6WN4,-8.7871213686,0.0423547395,0.3330207522,0.3330207522,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Fe-N-W,22.0,A6B4C_tP22_137_df_g_a:Fe-N-W +mp-1216060,Y2USe3,-7.5328639817,-1.7475162034,0.068587695,0.068587695,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:Se-U-Y,6.0,A3BC2_hP6_164_ad_b_d:Se-U-Y +mp-1216407,VB2Ru,-8.4256261875,-0.4963531496,0.0733934628,0.0733934628,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Ru-V,8.0,A2BC_oP8_26_ab_a_b:B-Ru-V +mp-1222258,LuUB8,-7.4379040115,-0.5131545418,0.0195429035,0.0195429035,GGA,Cmmm,A8BC_oC40_65_gim2p_h_j:B-Lu-U,20.0,"Invalid WP multiplicities - A8BC_oC40_65_gim3p_h_j:B-Lu-U, expected LuUB10 to be LuUB8" +mp-10116,UB2Ir3,-9.0395659417,-0.5119832597,0.0,-0.0191760187,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-U,6.0,A2B3C_hP6_191_c_g_a:B-Ir-U +mp-1226540,CeUB8,-7.6232086255,-0.5572452923,0.0106376463,0.0106376463,GGA,Cmmm,A8BC_oC40_65_gim2p_h_j:B-Ce-U,20.0,"Invalid WP multiplicities - A8BC_oC40_65_gim3p_h_j:B-Ce-U, expected CeUB10 to be CeUB8" +mp-662590,U5(B12Mo5)2,-8.8957388672,-0.5567913377,0.0,-0.0233454731,GGA,Pmmn,A24B10C5_oP78_59_2a2b10e_2a4e_b2e:B-Mo-U,78.0,"Invalid WP multiplicities - A24B10C5_oP78_59_4a4b39e_4a14e_2b8e:B-Mo-U, expected U9B43Mo16 to be U5(B12Mo5)2" +mp-1195876,U2B6Mo,-8.7354541914,-0.5682518853,0.0,-0.0086355715,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Mo-U,36.0,A6BC2_oP36_55_6h_g_2g:B-Mo-U +mp-1187796,UB4Mo,-8.6760259833,-0.5335881161,0.015907566,0.015907566,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mo-U,24.0,A4BC_oP24_55_4h_g_g:B-Mo-U +mp-1103171,UB4Mo,-8.6763170467,-0.5338791794000001,0.0156165027,0.0156165027,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Mo-U,12.0,A4BC_oC24_65_gip_h_j:B-Mo-U +mp-1199282,NpB3O8,-8.8479679258,-2.8013458689,0.0,-0.046000032,GGA,Pca2_1,A3BC8_oP48_29_3a_a_8a:B-Np-O,48.0,A3BC8_oP48_29_3a_a_8a:B-Np-O +mp-977058,NpBO3,-9.156538866,-2.2630913488,0.843248485,0.843248485,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Np-O,5.0,ABC3_cP5_221_b_a_c:B-Np-O +mp-1197731,NpB8O17,-8.3087365383,-2.521174156,0.1173410942,0.1173410942,GGA,Cc,A8BC17_mC104_9_8a_a_17a:B-Np-O,52.0,A8BC17_mC104_9_8a_a_17a:B-Np-O +mp-1214985,B6RhO6,-6.8230378669,-0.8906693467000001,1.3344575201,1.3344575201,GGA,C2/m,A6B6C_mC26_12_ij_ij_a:B-O-Rh,13.0,"Invalid WP multiplicities - A6B6C_mC26_12_ij_2i3j_a:B-O-Rh, expected B6RhO16 to be B6RhO6" +mp-1192012,GdBN2,-10.9473921317,-1.5902661665,0.0198596696,0.0198596696,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Gd-N,24.0,ABC2_hR72_167_e_e_2e:B-Gd-N +mp-1210384,Np(WO4)2,-9.5843878667,-2.4537015184,0.122723549,0.122723549,GGA+U,Pbca,AB8C2_oP88_61_c_8c_2c:Np-O-W,88.0,AB8C2_oP88_61_c_8c_2c:Np-O-W +mp-21338,U(Mo3S4)2,-8.3683755407,-1.0712482337,0.0058358639,0.0058358639,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-U,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-U +mp-1245981,Y2Pt2S7,-6.2842111845,-1.3723604632,0.0811422959,0.0811422959,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Pt-S-Y,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Pt-S-Y, expected YPtS10 to be Y2Pt2S7" +mp-1224432,Hf(US)3,-9.1138704386,-1.0794749156,0.3508416757,0.3508416757,GGA,Pm-3m,AB3C3_cP7_221_a_d_c:Hf-S-U,7.0,AB3C3_cP7_221_a_d_c:Hf-S-U +mp-1217023,TiB2W,-9.3354516,-0.7823501529,0.0094011925,0.0094011925,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Ti-W,4.0,A2BC_oC8_38_ab_a_b:B-Ti-W +mp-1216667,TiVB4,-8.1788988317,-0.8960713033000001,0.001187755,0.001187755,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Ti-V,6.0,A4BC_hP6_191_h_a_b:B-Ti-V +mp-619571,ScU8S17,-8.2140532123,-1.7916148692,0.0,-0.0294284739,GGA,C2/m,A17BC8_mC52_12_a4i2j_c_2ij:S-Sc-U,26.0,"Invalid WP multiplicities - A17BC8_mC52_12_a7i8j_d_2i2j:S-Sc-U, expected ScU12S47 to be ScU8S17" +mp-7276,ScUS3,-7.974184418,-1.9675386749,0.028000671,0.028000671,GGA,Cmcm,A3BC_oC20_63_cf_a_c:S-Sc-U,10.0,A3BC_oC20_63_cf_a_c:S-Sc-U +mp-21583,Sc(US2)3,-8.3633423698,-1.8608025361,0.025186207,0.025186207,GGA,Pnnm,A6BC3_oP40_58_6g_ac_3g:S-Sc-U,40.0,A6BC3_oP40_58_6g_ac_3g:S-Sc-U +mp-1219250,ScUS2,-8.31440312,-1.8402084078,0.031492905,0.031492905,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:S-Sc-U,4.0,A2BC_tP4_123_ad_b_c:S-Sc-U +mp-36052,ScUS2,-8.305234995,-1.8310402828,0.04066103,0.04066103,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:S-Sc-U,8.0,A2BC_tI16_141_e_a_b:S-Sc-U +mp-972309,Ta2BN3,-9.4915627467,-0.257490779,1.1313573714,1.1313573714,GGA,P6/mmm,AB3C2_hP6_191_a_f_d:B-N-Ta,6.0,AB3C2_hP6_191_a_f_d:B-N-Ta +mp-9278,U2Si4W3,-9.5249425944,-0.2851111689,0.0,-0.0259110481,GGA,P2_1/c,A4B2C3_mP18_14_2e_e_ae:Si-U-W,18.0,"Invalid WP multiplicities - A4B2C3_mP18_14_2e_e_a2e:Si-U-W, expected U2Si4W5 to be U2Si4W3" +mp-1080835,V2GaC,-8.1238329675,-0.5176895538,0.0,-0.1108313165,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-V,8.0,ABC2_hP8_194_a_c_f:C-Ga-V +mp-2647093,Nb2BS,-8.7446274075,-0.9900144781,0.0067566278,0.0067566278,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:B-Nb-S,8.0,AB2C_hP8_194_a_f_c:B-Nb-S +mp-21017,Y3PbC,-7.03818125,-0.5700360695000001,0.0,-0.1135837643,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pb-Y,5.0,ABC3_cP5_221_b_a_c:C-Pb-Y +mp-1097192,VRe2W,-7.043395055,4.6893776125,4.8215593112,4.8215593112,GGA,Immm,A2BC_oI8_71_e_a_b:Re-V-W,4.0,A2BC_oI8_71_e_a_b:Re-V-W +mp-1096654,VReW2,-6.6884207700000005,5.1727526588,5.3049343575,5.3049343575,GGA,Immm,ABC2_oI8_71_a_b_e:Re-V-W,4.0,ABC2_oI8_71_a_b_e:Re-V-W +mp-971754,V2ReW,-11.137293105,-0.2446757162,0.0,-0.0389258217,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Re-V-W,4.0,AB2C_cF16_225_a_c_b:Re-V-W +mp-1093565,V2OsW,-6.19337205,4.3949554,4.6462861325,4.638526375,GGA,Immm,AB2C_oI8_71_a_e_b:Os-V-W,4.0,AB2C_oI8_71_a_e_b:Os-V-W +mp-1187694,V2OsW,-10.8396581825,-0.2513307325,0.0,-0.0077597575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Os-V-W,4.0,AB2C_cF16_225_a_c_b:Os-V-W +mp-631465,YRhW2,-9.3009337425,0.6358261183,1.061827845,1.061827845,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Rh-W-Y,4.0,AB2C_cF16_225_a_c_b:Rh-W-Y +mp-989640,YTcN3,-9.1581330095,-0.7908140428,0.0252429528,0.0252429528,GGA,C2/c,A3BC_mC40_15_3f_f_2e:N-Tc-Y,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_4e:N-Tc-Y, expected Y2TcN9 to be YTcN3" +mp-989557,YTcN3,-9.12086151,-0.7535425433,0.0625144523,0.0625144523,GGA,Amm2,A3BC_oC10_38_ae_b_a:N-Tc-Y,5.0,A3BC_oC10_38_ae_b_a:N-Tc-Y +mp-1246573,Y3Pb3N5,-7.2052964068,-0.6398573909,0.3786957068,0.3786957068,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Y,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Y +mp-1246107,Y2Pb3N4,-6.81065063,-0.4309991704,0.3989329833,0.3989329833,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Pb-Y,18.0,A4B3C2_mC36_15_2f_ef_f:N-Pb-Y +mp-30189,K5(DyI4)3,-3.472174371,-1.6195367982,0.0232741442,0.0232741442,GGA,P-62m,A3B12C5_hP20_189_g_2fk_cf:Dy-I-K,20.0,"Invalid WP multiplicities - A3B12C5_hP20_189_g_3f2k_cf:Dy-I-K, expected K5(DyI7)3 to be K5(DyI4)3" +mp-1206220,KDyI3,-3.513893937,-1.4864369696,0.0986387683,0.0986387683,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Dy-I-K,10.0,AB3C_oC20_63_a_cf_c:Dy-I-K +mp-983607,V3Cd,-6.71086852,0.3327834725,0.3327834725,0.3327834725,GGA,P6_3/mmc,AB3_hP8_194_c_h:Cd-V,8.0,AB3_hP8_194_c_h:Cd-V +mp-11312,V3Cd,-6.678464625,0.3651873675,0.3651873675,0.3651873675,GGA,Pm-3m,AB3_cP4_221_a_c:Cd-V,4.0,AB3_cP4_221_a_c:Cd-V +mp-568564,V3Cd,-6.7119340213,0.3317179712,0.3317179712,0.3317179712,GGA,Pm-3n,AB3_cP8_223_a_c:Cd-V,8.0,AB3_cP8_223_a_c:Cd-V +mp-1245469,VCd2N3,-6.2907627333,-0.3009010058,0.146439345,0.146439345,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Cd-N-V,12.0,A2B3C_oC24_36_b_ab_a:Cd-N-V +mp-1245464,VCd2N3,-6.1420286112,-0.1521668837,0.2951734671,0.2951734671,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Cd-N-V,24.0,A2B3C_oC48_64_2f_e2f_f:Cd-N-V +mp-1246410,V(CdN)4,-5.1312651261,-0.0066601472,0.2915667533,0.2915667533,GGA,C2/m,A4B4C_mC36_12_gij_2ij_i:Cd-N-V,18.0,"Invalid WP multiplicities - A4B4C_mC36_12_gij_2i2j_i:Cd-N-V, expected V(Cd2N3)2 to be V(CdN)4" +mp-1209729,PuVO3,-10.625839832,-2.9874777253,0.0479939561,0.0479939561,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Pu-V,20.0,A3BC_oP20_62_cd_c_a:O-Pu-V +mp-768786,BaYI5,-4.0513845718,-1.8010591713,0.097773545,0.097773545,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-I-Y,28.0,"Invalid WP multiplicities - AB5C_mP28_4_3a_19a_3a:Ba-I-Y, expected Ba3Y3I19 to be BaYI5" +mp-776479,BaYI5,-4.0714047473,-1.8210793468,0.0777533695,0.0777533695,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-I-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_5e:Ba-I-Y, expected Ba7Y5I39 to be BaYI5" +mp-772077,BaYI5,-4.0815704461,-1.8312450456,0.0675876707,0.0675876707,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-I-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_3e:Ba-I-Y, expected Ba7(YI13)3 to be BaYI5" +mp-754144,BaYI5,-4.0727109593,-1.8223855588,0.0764471575,0.0764471575,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-I-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-I-Y, expected BaYI16 to be BaYI5" +mp-756245,BaYI5,-4.0506535993,-1.8003281988,0.0985045175,0.0985045175,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-I-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e5f_e:Ba-I-Y, expected BaYI12 to be BaYI5" +mp-754304,BaYI5,-4.0525809746,-1.8022555742,0.0965771421,0.0965771421,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Ba-I-Y,28.0,"Invalid WP multiplicities - AB5C_oP28_19_a_17a_a:Ba-I-Y, expected BaYI17 to be BaYI5" +mp-849802,Ba2YI7,-3.9844962215,-1.9226976772,0.031825891,0.031825891,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-I-Y, expected Ba7(YI9)3 to be Ba2YI7" +mp-768295,Ba2YI7,-3.9546967158,-1.8928981714,0.0616253968,0.0616253968,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-I-Y, expected Ba5YI25 to be Ba2YI7" +mp-768426,Ba2YI7,-3.9436981823,-1.8818996379,0.0726239303,0.0726239303,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_27e_e:Ba-I-Y, expected Ba5YI27 to be Ba2YI7" +mp-776442,Ba2YI7,-3.9670914505,-1.9052929062,0.049230662,0.049230662,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-I-Y, expected Ba5YI25 to be Ba2YI7" +mp-776032,Ba2YI7,-3.9670788518,-1.9052803074,0.0492432608,0.0492432608,GGA,C2/c,A2B7C_mC80_15_2f_7f_f:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_mC80_15_5f_27f_f:Ba-I-Y, expected Ba5YI27 to be Ba2YI7" +mp-775932,Ba2YI7,-3.9251228337,-1.8633242894,0.0911992788,0.0911992788,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Ba-I-Y,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_3c10d_c:Ba-I-Y, expected Ba5YI23 to be Ba2YI7" +mp-776463,Ba3(YI6)2,-3.9957263912,-1.8562991414,0.0752928996,0.0752928996,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-I-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_7e:Ba-I-Y, expected Ba9Y7I45 to be Ba3(YI6)2" +mp-776579,Ba3(YI6)2,-3.9930803835,-1.8536531337,0.0779389072,0.0779389072,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-I-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_11e_47e_3e:Ba-I-Y, expected Ba11Y3I47 to be Ba3(YI6)2" +mp-768611,Ba3(YI6)2,-3.9778625826,-1.8384353328,0.0931567081,0.0931567081,GGA,P4/mbm,A3B12C2_tP34_127_ah_fgl_g:Ba-I-Y,34.0,"Invalid WP multiplicities - A3B12C2_tP34_127_2a2h_2f4g6l_g:Ba-I-Y, expected Ba3YI30 to be Ba3(YI6)2" +mp-1178584,Ba5Y3I19,-3.9670399678,-1.8563640904,0.0837211088,0.0837211088,GGA,P-1,A5B19C3_aP54_2_5i_ad18i_3i:Ba-I-Y,54.0,"Invalid WP multiplicities - A5B19C3_aP54_2_9i_ad35i_5i:Ba-I-Y, expected Ba9Y5I36 to be Ba5Y3I19" +mp-776610,Ba6YI15,-3.7576117168,-1.9357564439,0.0896463902,0.0896463902,GGA,P2_1/c,A6B15C_mP88_14_6e_15e_e:Ba-I-Y,88.0,"Invalid WP multiplicities - A6B15C_mP88_14_21e_57e_e:Ba-I-Y, expected Ba21YI57 to be Ba6YI15" +mp-776782,Ba6YI15,-3.7952628826,-1.9734076097,0.0519952244,0.0519952244,GGA,C2/c,A6B15C_mC176_15_6f_15f_f:Ba-I-Y,88.0,"Invalid WP multiplicities - A6B15C_mC176_15_19f_57f_f:Ba-I-Y, expected Ba19YI57 to be Ba6YI15" +mp-772018,Ba3YI9,-3.896541849,-1.9362577657,0.0482531842,0.0482531842,GGA,Pc,A3B9C_mP52_7_6a_18a_2a:Ba-I-Y,52.0,"Invalid WP multiplicities - A3B9C_mP52_7_12a_34a_4a:Ba-I-Y, expected Ba6Y2I17 to be Ba3YI9" +mp-771922,Ba3YI9,-3.8826099094,-1.9223258261,0.0621851238,0.0621851238,GGA,Pnma,A3B9C_oP52_62_3c_3c3d_c:Ba-I-Y,52.0,"Invalid WP multiplicities - A3B9C_oP52_62_9c_10c11d_c:Ba-I-Y, expected Ba9YI32 to be Ba3YI9" +mp-1207656,YPtF7,-5.7838434306,-2.9040704077,0.0,-0.0637210625,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Pt-Y,36.0,A7BC_mP36_14_7e_e_e:F-Pt-Y +mp-1215708,YUSb2,-7.28404674,-0.7800758392,0.0138982431,0.0138982431,GGA,R-3m,A2BC_hR12_166_c_a_b:Sb-U-Y,4.0,A2BC_hR12_166_c_a_b:Sb-U-Y +mp-676315,Y2GeI2,-5.5087916020000005,-1.4082510457,0.0,-0.0639439336,GGA,R-3m,AB2C2_hR15_166_a_c_c:Ge-I-Y,5.0,AB2C2_hR15_166_a_c_c:Ge-I-Y +mp-569689,Eu2PI,-8.3950711,-1.5449029858,0.0,-0.3058031941,GGA,R-3m,A2BC_hR12_166_c_a_b:Eu-I-P,4.0,A2BC_hR12_166_c_a_b:Eu-I-P +mp-1215198,ZrUB24,-7.1651937581,-0.2365586373,0.0141809765,0.0141809765,GGA,R-3m,A24BC_hR78_166_2hi_a_b:B-U-Zr,26.0,"Invalid WP multiplicities - A24BC_hR78_166_12h4i_a_b:B-U-Zr, expected ZrUB120 to be ZrUB24" +mp-1187779,UReO3,-9.562426534,-1.8472258682,1.0616662036,1.0616662036,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-U,5.0,A3BC_cP5_221_c_b_a:O-Re-U +mp-1095627,ThVB4,-7.87296777,-0.6704125361000001,0.0004024021,0.0004024021,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Th-V,12.0,A4BC_oC24_65_gip_h_j:B-Th-V +mp-1188234,B2OsW2,-10.364934211,-0.2644519247,0.02968816,0.02968816,GGA,Pnnm,A2BC2_oP20_58_2g_g_2g:B-Os-W,20.0,A2BC2_oP20_58_2g_g_2g:B-Os-W +mp-1228631,B4OsW,-8.7729581267,-0.2891140028,0.0,-0.0161417842,GGA,P-6m2,A4BC_hP6_187_gh_a_d:B-Os-W,6.0,"Invalid WP multiplicities - A4BC_hP6_187_2gh_a_d:B-Os-W, expected B6OsW to be B4OsW" +mp-1191170,UCrB4,-8.5182004029,-0.5745296424,0.0,-0.0403223773,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-U,24.0,A4BC_oP24_55_4h_g_g:B-Cr-U +mp-1207909,UTaN2,-11.4422612081,-1.4867168356,0.0,-0.065397594,GGA,Pnma,A2BC_oP16_62_2c_c_c:N-Ta-U,16.0,A2BC_oP16_62_2c_c_c:N-Ta-U +mp-1208482,U6Al43V4,-5.1932859509,-0.1905718938,0.0039306887,0.0039306887,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-U-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-U-V +mp-17188,U(Al10V)2,-4.7220669996,-0.184208793,0.0,-0.0440273643,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-U-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-U-V +mp-1210823,LuSI,-5.05437592,-1.6774536744,0.3524574711,0.3524574711,GGA,P-6m2,ABC_hP3_187_b_c_e:I-Lu-S,3.0,ABC_hP3_187_b_c_e:I-Lu-S +mp-556135,GdSI,-8.6947759717,-2.132796486,0.0,-0.5912439983000001,GGA,Pmmn,ABC_oP6_59_b_a_a:Gd-I-S,6.0,ABC_oP6_59_b_a_a:Gd-I-S +mp-1080544,GdSI,-8.1922114789,-1.6302319933,0.5025644928,-0.0886795056,GGA,P-6m2,ABC_hP9_187_j_k_j:Gd-I-S,9.0,ABC_hP9_187_j_k_j:Gd-I-S +mp-17105,Hf9V4S,-9.5314055036,-0.2394929738,0.0167686432,0.0167686432,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-S-V,28.0,"Invalid WP multiplicities - A9BC4_hP28_194_h2k_c_ah:Hf-S-V, expected Hf15V4S to be Hf9V4S" +mp-1220004,PIrS,-7.0300880225,-0.9006925047000001,0.0,-0.17153623,GGA,P2_13,ABC_cP12_198_a_a_a:Ir-P-S,12.0,ABC_cP12_198_a_a_a:Ir-P-S +mp-27171,Hg2P2S7,-4.1647549436,-0.4930172335,0.0,-0.0119898855,GGA,C2,A2B2C7_mC22_5_c_c_a3c:Hg-P-S,11.0,A2B2C7_mC22_5_c_c_a3c:Hg-P-S +mp-1212489,Hg3(PS4)2,-3.8943838477,-0.4459803828,0.0294972285,0.0294972285,GGA,P2_13,A3B2C8_cP52_198_b_2a_2a2b:Hg-P-S,52.0,A3B2C8_cP52_198_b_2a_2a2b:Hg-P-S +mp-27178,HgPS3,-4.112753571,-0.4874870765,0.0,-0.0206071742,GGA,P-1,ABC3_aP10_2_i_i_3i:Hg-P-S,10.0,ABC3_aP10_2_i_i_3i:Hg-P-S +mp-510243,Eu(BS2)2,-6.9486971754,-1.2113279169,0.0017770529,0.0017770529,GGA,P2_1/c,A2BC4_mP28_14_2e_e_4e:B-Eu-S,28.0,A2BC4_mP28_14_2e_e_4e:B-Eu-S +mp-1220045,Os3W3C2,-10.7358393462,0.6408886494,0.7309696088000001,0.7309696088000001,GGA,P-3m1,A2B3C3_hP8_164_d_ad_bd:C-Os-W,8.0,"Invalid WP multiplicities - A2B3C3_hP8_164_d_a2d_b2d:C-Os-W, expected Os5W5C2 to be Os3W3C2" +mp-1215364,Zr4WC5,-9.937001109,-0.6077750878,0.059794382,0.059794382,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:C-W-Zr,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a2c_b_3c:C-W-Zr, expected Zr6WC5 to be Zr4WC5" +mp-1215167,ZrWC2,-10.34631485,-0.3555243888,0.1073430075,0.1073430075,GGA,R-3m,A2BC_hR12_166_c_a_b:C-W-Zr,4.0,A2BC_hR12_166_c_a_b:C-W-Zr +mp-1215940,YHo3C8,-8.0268542333,-0.1899357614,0.0757036452,0.0757036452,GGA,P4/mmm,A8B3C_tP12_123_2g2h_ah_b:C-Ho-Y,12.0,"Invalid WP multiplicities - A8B3C_tP12_123_4g3h_a2h_b:C-Ho-Y, expected YHo5C14 to be YHo3C8" +mp-1215921,YHoC4,-8.1832123767,-0.1892887178,0.0732707213,0.0732707213,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Ho-Y,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_c_a:C-Ho-Y, expected YHoC6 to be YHoC4" +mp-1215906,YHoC4,-8.1828620667,-0.1889384078,0.0736210313,0.0736210313,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Ho-Y,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_c_b:C-Ho-Y, expected YHoC6 to be YHoC4" +mp-1216068,Y3HoC8,-8.3378681575,-0.1869393117,0.0725401598,0.0725401598,GGA,P4/mmm,A8BC3_tP12_123_2g2h_a_bh:C-Ho-Y,12.0,"Invalid WP multiplicities - A8BC3_tP12_123_4g3h_a_b2h:C-Ho-Y, expected Y5HoC14 to be Y3HoC8" +mp-1180495,Mn3(W5C2)2,-11.1693947476,0.2413117315,0.3153785674,0.3153785674,GGA,P6_3/mmc,A4B3C10_hP34_194_cg_h_ahk:C-Mn-W,34.0,A4B3C10_hP34_194_cg_h_ahk:C-Mn-W +mp-15813,Mn3W3C,-10.8740078036,-0.0755646523,0.0,-0.0171697411,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Mn-W,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_2d2e_f:C-Mn-W, expected Mn6W3C to be Mn3W3C" +mp-1193083,Mn20(WC2)3,-9.632314631,-0.063808097,0.0278680336,0.0278680336,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:C-Mn-W,29.0,A6B20C3_cF116_225_e_fh_ac:C-Mn-W +mp-1207240,Sm2I2F,-4.05435311,-1.1952763225,0.9064424487,0.9064424487,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-I-Sm,5.0,AB2C2_tP5_123_a_g_g:F-I-Sm +mp-1224599,GdYH4,-6.4766541283,-0.7910712061,0.006941985,0.006941985,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Gd-H-Y,6.0,AB4C_tP6_123_a_i_d:Gd-H-Y +mp-1104337,Y(VSn)6,-6.7697560769,-0.2291915644,0.0,-0.0411768667,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Sn-V-Y,13.0,A6B6C_hP13_191_cde_i_a:Sn-V-Y +mp-27782,XeIF7,-3.2498489906,-1.5954164025000002,0.0,-0.0144689442,GGA,I4/m,A7BC_tI36_87_ehi_e_c:F-I-Xe,18.0,A7BC_tI36_87_ehi_e_c:F-I-Xe +mp-1185221,KEu3,-7.7652820825,0.2050690043,0.2050690043,0.2050690043,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-K,4.0,A3B_tI8_139_ad_b:Eu-K +mp-1185081,KEu3,-7.768819845,0.2015312417,0.2015312417,0.2015312417,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-K,4.0,A3B_cP4_221_c_a:Eu-K +mp-1185115,KEu3,-7.7720083025,0.1983427843,0.1983427843,0.1983427843,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-K,4.0,A3B_cF16_225_ac_b:Eu-K +mp-29614,KEu2I5,-5.4805961463,-1.8566918591,0.0089931356,0.0089931356,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Eu-I-K,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_10e_e:Eu-I-K, expected KEu3I10 to be KEu2I5" +mp-1185259,K3Eu,-3.2111756112,0.185874049,0.185874049,0.185874049,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-K,8.0,AB3_hP8_194_c_h:Eu-K +mp-1184917,K3Eu,-3.2056011075,0.1914485527,0.1914485527,0.1914485527,GGA,Fm-3m,AB3_cF16_225_a_bc:Eu-K,4.0,AB3_cF16_225_a_bc:Eu-K +mp-1215823,YUGa4,-5.3485160767,-0.3701385411,0.0681620867,0.0681620867,GGA,Pmmm,A4BC_oP6_47_kl_a_d:Ga-U-Y,6.0,"Invalid WP multiplicities - A4BC_oP6_47_2kl_a_d:Ga-U-Y, expected YUGa6 to be YUGa4" +mp-27167,Sn2IF3,-4.6605207592,-2.1226962654,0.0,-0.0008238812,GGA,C222_1,A3BC2_oC24_20_ac_a_c:F-I-Sn,12.0,A3BC2_oC24_20_ac_a_c:F-I-Sn +mp-555077,Sn2IF3,-4.659752845,-2.1219283512,0.0007679142,-5.5967e-05,GGA,Cmcm,A3BC2_oC24_63_cf_c_f:F-I-Sn,12.0,"Invalid WP multiplicities - A3BC2_oC24_63_c2f_c_f:F-I-Sn, expected Sn2IF5 to be Sn2IF3" +mp-1209028,Sn3IF5,-4.8328102386000005,-2.270646155,0.0010375272,0.0010375272,GGA,P2_1/c,A5BC3_mP36_14_5e_e_3e:F-I-Sn,36.0,A5BC3_mP36_14_5e_e_3e:F-I-Sn +mp-1208906,Sn2IF2,-4.239433281,-1.576339682,0.1996687293,0.1996687293,GGA,Cmcm,A2BC2_oC20_63_f_c_f:F-I-Sn,10.0,A2BC2_oC20_63_f_c_f:F-I-Sn +mp-27468,U2BiN2,-9.893,-1.2737402,0.0,-0.081695182,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-N-U,5.0,AB2C2_tI10_139_a_d_e:Bi-N-U +mp-569199,U2BiN2,-9.315152428,-0.6958926280000001,0.577847572,0.49615239,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-N-U,5.0,AB2C2_tI10_139_a_e_d:Bi-N-U +mp-1223330,Lu4V5B18,-7.5309499077,-0.7260467853,0.0,-0.0082252803,GGA,Pm,A18B4C5_mP108_6_72b_16a_20a:B-Lu-V,108.0,A18B4C5_mP108_6_72b_16a_20a:B-Lu-V +mp-1104026,Be(B6C)2,-6.8589820833,-0.0356857433,0.0411194965,0.0411194965,GGA,R-3m,A12BC2_hR45_166_2h_a_c:B-Be-C,15.0,A12BC2_hR45_166_2h_a_c:B-Be-C +mp-569299,Be(BC)2,-7.2068443595,-0.0957388812,0.0238246993,0.0238246993,GGA,Pmmn,A2BC2_oP20_59_abe_f_abe:B-Be-C,20.0,"Invalid WP multiplicities - A2BC2_oP20_59_2a2b3e_f_2ab2e:B-Be-C, expected Be2B10C7 to be Be(BC)2" +mp-867309,TbVB4,-7.4384781858,-0.6991716436000001,0.0,-0.0352628625,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Tb-V,24.0,A4BC_oP24_55_4h_g_g:B-Tb-V +mp-1187307,Tb3V,-5.414289215,0.3324618775,0.3324618775,0.3324618775,GGA,Fm-3m,A3B_cF16_225_ac_b:Tb-V,4.0,A3B_cF16_225_ac_b:Tb-V +mp-1228750,B20Ir4W5,-8.1621502866,-0.1024184491,0.1464897191,0.1464897191,GGA,P-6m2,A20B4C5_hP29_187_5g5h_2h_a2g:B-Ir-W,29.0,"Invalid WP multiplicities - A20B4C5_hP29_187_10g10h_3h_a3g:B-Ir-W, expected B40Ir6W7 to be B20Ir4W5" +mp-1228672,B5Ir3W2,-8.949432254,-0.3665800686,0.0,-0.0769640286,GGA,Imm2,A5B3C2_oI20_44_a2c_bc_c:B-Ir-W,10.0,A5B3C2_oI20_44_a2c_bc_c:B-Ir-W +mp-1191899,DyVB4,-7.4459158775,-0.7112058786000001,0.0,-0.0396034118,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-V,24.0,A4BC_oP24_55_4h_g_g:B-Dy-V +mp-561123,U2AuF11,-6.6302323361,-3.2814487173,0.225489662,0.225489662,GGA,I4/mcm,AB11C2_tI56_140_c_dejk_h:Au-F-U,28.0,"Invalid WP multiplicities - AB11C2_tI56_140_c_2d3e6j5k_h:Au-F-U, expected U2AuF52 to be U2AuF11" +mp-1202841,U2B6Os,-8.730515198900001,-0.5208998572,0.0014794706,0.0014794706,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Os-U,36.0,A6BC2_oP36_55_6h_g_2g:B-Os-U +mp-10132,UB2Os3,-10.047273675,-0.3252243681,0.0,-0.0331366867,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Os-U,6.0,A2B3C_hP6_191_c_g_a:B-Os-U +mp-1196935,U(BOs)4,-9.4826463189,-0.2694855619,0.058168645,0.058168645,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Os-U,36.0,A4B4C_tI72_142_g_g_b:B-Os-U +mp-1095488,UB4Os,-8.6975387308,-0.4914813103,0.0,-0.0357629193,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Os-U,12.0,A4BC_oC24_65_gip_h_j:B-Os-U +mp-1245474,Y2Mg3N4,-6.8566054989000005,-1.1810763793,0.1463673526,0.1463673526,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Mg-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Mg-N-Y +mp-631536,KBIr2,-4.672477245,1.6941875245,1.7944405343,1.7944405343,GGA,Fm-3m,AB2C_cF16_225_a_c_b:B-Ir-K,4.0,AB2C_cF16_225_a_c_b:B-Ir-K +mp-1191016,Tm3B7W,-7.2906369268,-0.6414206636,0.0,-0.0409076957,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Tm-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Tm-W +mp-28271,Sn5BF13,-5.4364855536,-2.7219340997,0.0,-0.0024528612,GGA,P2_1/c,AB13C5_mP76_14_e_13e_5e:B-F-Sn,76.0,AB13C5_mP76_14_e_13e_5e:B-F-Sn +mp-27430,Sn2BF7,-5.6569324237,-2.8490435984,0.0,-0.0172533236,GGA,Pnma,AB7C2_oP40_62_c_3c2d_2c:B-F-Sn,40.0,"Invalid WP multiplicities - AB7C2_oP40_62_c_3c4d_2c:B-F-Sn, expected Sn2BF11 to be Sn2BF7" +mp-27431,Sn3BF9,-5.55104696,-2.7886301874,0.0,-0.0015117294,GGA,P2_1/c,AB9C3_mP52_14_e_9e_3e:B-F-Sn,52.0,AB9C3_mP52_14_e_9e_3e:B-F-Sn +mp-1193767,Hf9W4S,-10.7196823439,-0.3208486256,0.00949708,0.00949708,GGA,P6_3/mmc,A9BC4_hP28_194_hk_c_ah:Hf-S-W,28.0,A9BC4_hP28_194_hk_c_ah:Hf-S-W +mp-1246933,CrW2N3,-10.1922624183,-0.0957969675,0.4942257983,0.4942257983,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-W,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-W +mp-15226,CrWN2,-10.2874046625,-0.466362775,0.1490384787,0.1490384787,GGA,R3m,AB2C_hR12_160_a_2a_a:Cr-N-W,4.0,AB2C_hR12_160_a_2a_a:Cr-N-W +mp-977385,NpH3,-6.14896511,-0.3674756559,0.0,-0.1655108137,GGA,I4/mmm,A3B_tI8_139_ad_b:H-Np,4.0,A3B_tI8_139_ad_b:H-Np +mp-1190843,NpH3,-6.12438656,-0.3428971059,0.02457855,-0.1409322637,GGA,P-3c1,A3B_hP24_165_adg_f:H-Np,24.0,A3B_hP24_165_adg_f:H-Np +mp-1080055,NpH3,-6.12297821,-0.3414887559,0.0259869,-0.1395239137,GGA,P6_3/mmc,A3B_hP8_194_bf_c:H-Np,8.0,A3B_hP8_194_bf_c:H-Np +mp-24285,NpH2,-6.84703038,-0.2692864563,0.0573585713,0.0573585713,GGA,Fm-3m,A2B_cF12_225_c_a:H-Np,3.0,A2B_cF12_225_c_a:H-Np +mp-505372,Np(BH4)4,-4.7311512802,-0.2573911143,0.0,-0.062247049,GGA,P4_2/nmc,A4B16C_tP42_137_g_2gh_a:B-H-Np,42.0,A4B16C_tP42_137_g_2gh_a:B-H-Np +mp-1206932,Np3H,-10.2439117663,0.3151045059,0.4375963913,0.4375963913,GGA,P6_3/mmc,AB3_hP8_194_c_bf:H-Np,8.0,AB3_hP8_194_c_bf:H-Np +mp-1189296,CeBS3,-6.523589922,-1.5192238167,0.0126908938,0.0126908938,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:B-Ce-S,20.0,ABC3_oP20_33_a_a_3a:B-Ce-S +mp-1219924,PRhS,-6.5141623375,-0.8761422563,0.0,-0.1916284237,GGA,P2_13,ABC_cP12_198_a_a_a:P-Rh-S,12.0,ABC_cP12_198_a_a_a:P-Rh-S +mp-19817,Y3InC,-6.807992866,-0.5320403535,0.0,-0.159917052,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Y,5.0,ABC3_cP5_221_b_a_c:C-In-Y +mp-862754,PrBS3,-6.328215389,-1.5542859637,0.0,-0.0087452097,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:B-Pr-S,20.0,ABC3_oP20_33_a_a_3a:B-Pr-S +mp-569275,Nd2WC2,-8.389420597,-0.199069381,0.0,-0.088252624,GGA,P4_2/mnm,A2B2C_tP20_136_ce_j_f:C-Nd-W,20.0,"Invalid WP multiplicities - A2B2C_tP20_136_2c2e_j_f:C-Nd-W, expected Nd2WC4 to be Nd2WC2" +mp-1222759,LaU3C8,-9.2231516542,0.1634784354,0.2868732833,0.2868732833,GGA,R-3,A8BC3_hR36_148_cf_a_e:C-La-U,12.0,"Invalid WP multiplicities - A8BC3_hR36_148_2c2f_a_e:C-La-U, expected LaU3C16 to be LaU3C8" +mp-1226549,CeYC4,-8.3798174033,-0.1607803636,0.0739370544,0.0739370544,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-Ce-Y,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-Ce-Y, expected CeYC8 to be CeYC4" +mp-1106074,Y6CoI10,-5.0271616035,-1.4600552521,0.0,-0.0466473403,GGA,P-1,AB10C6_aP17_2_a_5i_3i:Co-I-Y,17.0,AB10C6_aP17_2_a_5i_3i:Co-I-Y +mp-1205726,Y2Co2I,-6.397785925,-0.6731970917,0.0,-0.0527148581,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Co-I-Y,10.0,A2BC2_hP10_194_f_c_e:Co-I-Y +mp-570303,KTmI3,-3.440558615,-1.4392919309,0.1281389472,0.1281389472,GGA,Cmcm,A3BC_oC20_63_cf_c_a:I-K-Tm,10.0,A3BC_oC20_63_cf_c_a:I-K-Tm +mp-1211616,K5(TmI4)3,-3.424548686,-1.5915538257,0.0358178644,0.0358178644,GGA,P-62m,A12B5C3_hP20_189_2fk_cf_g:I-K-Tm,20.0,A12B5C3_hP20_189_2fk_cf_g:I-K-Tm +mp-1181041,HoWC2,-9.2954299981,-0.2959624769,0.0,-0.0609832184,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Ho-W,16.0,A2BC_oP16_62_2c_c_c:C-Ho-W +mp-1095351,NpB2C,-9.1694326492,-0.2856254703,0.020350264,0.020350264,GGA,R-3m,A2BC_hR36_166_g_d_ac:B-C-Np,12.0,A2BC_hR36_166_g_d_ac:B-C-Np +mp-1188564,Np2C3,-10.674066708,0.04224446,0.04224446,0.04224446,GGA,I-43d,A3B2_cI40_220_d_c:C-Np,20.0,A3B2_cI40_220_d_c:C-Np +mp-2546,NpC,-10.9166289,0.1715936869,0.1715936869,0.1715936869,GGA,Fm-3m,AB_cF8_225_a_b:C-Np,2.0,AB_cF8_225_a_b:C-Np +mp-1215832,YUTe6,-5.6234837263,-1.0462691658,0.001459555,0.001459555,GGA,Amm2,A6BC_oC16_38_3a3b_a_b:Te-U-Y,8.0,A6BC_oC16_38_3a3b_a_b:Te-U-Y +mp-675671,Sc(VN)9,-9.8301862495,-1.2451295095,0.1362427249,0.1362427249,GGA,P-1,A9BC9_aP19_2_f4i_a_c4i:N-Sc-V,19.0,"Invalid WP multiplicities - A9BC9_aP19_2_f7i_a_c6i:N-Sc-V, expected ScV13N15 to be Sc(VN)9" +mp-1215918,YSc3N4,-9.3237413988,-1.9725091327,0.064261435,0.064261435,GGA,I4/mmm,A4B3C_tI16_139_ce_ad_b:N-Sc-Y,8.0,"Invalid WP multiplicities - A4B3C_tI16_139_2c2e_a2d_b:N-Sc-Y, expected YSc5N8 to be YSc3N4" +mp-1216069,Y3ScN4,-9.2657613825,-1.8810286144,0.0427931387,0.0427931387,GGA,R-3m,A4BC3_hR24_166_2c_a_bc:N-Sc-Y,8.0,"Invalid WP multiplicities - A4BC3_hR24_166_4c_a_b2c:N-Sc-Y, expected Y5ScN8 to be Y3ScN4" +mp-1246828,Y2ScN3,-8.9925016746,-1.6133523235,0.3292942321,0.3292942321,GGA,C2/c,A3BC2_mC48_15_2e2f_f_2f:N-Sc-Y,24.0,A3BC2_mC48_15_2e2f_f_2f:N-Sc-Y +mp-1215898,YScN2,-9.291316805,-1.9233342879,0.0569618725,0.0569618725,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Sc-Y,4.0,A2BC_hR12_166_c_a_b:N-Sc-Y +mp-1222731,LaUN2,-9.7767033675,-1.5516016262,0.0,-0.0559385137,GGA,R-3m,AB2C_hR12_166_a_c_b:La-N-U,4.0,AB2C_hR12_166_a_c_b:La-N-U +mp-1246967,ScWN3,-9.8852902885,-1.0252734665,0.1355839975,0.1355839975,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-Sc-W,20.0,A3BC_aP20_2_6i_2i_2i:N-Sc-W +mp-1211993,K2FeI4,-3.5141123343,-1.1449288337,0.0,-0.0043454114,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Fe-I-K,14.0,AB4C2_mP14_11_e_2ef_2e:Fe-I-K +mp-1247740,KFeI3,-3.5712286395,-0.7711247981,0.1464146565,0.1464146565,GGA,Pnma,AB3C_oP20_62_c_3c_c:Fe-I-K,20.0,AB3C_oP20_62_c_3c_c:Fe-I-K +mp-1205830,W(Br3N)2,-4.0372170989,0.2904817967,1.07326894,1.07326894,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-W,9.0,A6B2C_cF36_225_e_c_a:Br-N-W +mp-1103810,Y3AlC3,-7.6525839157,-0.3910145375,0.0,-0.0210178016,GGA,Pmma,AB3C3_oP14_51_e_ej_ej:Al-C-Y,14.0,AB3C3_oP14_51_e_ej_ej:Al-C-Y +mp-1429387,Y(AlC)3,-6.7618196921,-0.2776489663,0.0098284486,-0.0271146524,GGA,P6_3mc,A3B3C_hP14_186_3b_3b_a:Al-C-Y,14.0,A3B3C_hP14_186_3b_3b_a:Al-C-Y +mp-1104050,Y(AlC)3,-6.7716481407,-0.2874774149,0.0,-0.036943101,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Y,14.0,A3B3C_hP14_194_cf_df_a:Al-C-Y +mp-1190521,Y5Al3C4,-7.1042371833,-0.3972584311,0.0229477943,0.0229477943,GGA,P4/mbm,A3B4C5_tP24_127_ag_gh_dj:Al-C-Y,24.0,A3B4C5_tP24_127_ag_gh_dj:Al-C-Y +mp-4448,Y3AlC,-6.8927995,-0.4180685675,0.0,-0.0737735738,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Y,5.0,ABC3_cP5_221_a_b_c:Al-C-Y +mp-675286,Ca3UN4,-7.7936807588,-1.46190709,0.0004945875,-0.2799226316,GGA,Fmm2,A3B4C_oF32_42_ab_cd_a:Ca-N-U,8.0,"Invalid WP multiplicities - A3B4C_oF32_42_ab_2c2d_a:Ca-N-U, expected Ca3UN8 to be Ca3UN4" +mp-1247754,Ca3UN4,-7.7941753463,-1.4624016775,0.0,-0.2804172191,GGA,I4/mmm,A3B4C_tI16_139_ad_ce_b:Ca-N-U,8.0,"Invalid WP multiplicities - A3B4C_tI16_139_ad_2c2e_b:Ca-N-U, expected Ca3UN8 to be Ca3UN4" +mp-18138,K2WSe4,-5.2506959868,-1.0846139818,0.0,-0.0374148861,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:K-Se-W,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2c_4c2d_c:K-Se-W, expected K2WSe8 to be K2WSe4" +mp-1246878,YGa2N3,-7.2134946858,-0.9581366969,0.1021903308,0.1021903308,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Ga-N-Y,12.0,A2B3C_oC24_36_b_ab_a:Ga-N-Y +mp-1245627,Y2GaN3,-8.1149366988,-1.2865161947,0.1773209921,0.1773209921,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Y,24.0,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Y +mp-1245470,Y2GaN3,-8.1200448875,-1.2916243835,0.1722128033,0.1722128033,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Ga-N-Y,12.0,AB3C2_oC24_36_a_ab_b:Ga-N-Y +mp-1246280,YGaN2,-7.5921267606,-1.0502375142,0.2118445931,0.2118445931,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Ga-N-Y,16.0,AB2C_mP16_14_e_2e_e:Ga-N-Y +mp-1246253,YGaN2,-7.5602209841,-1.0183317376,0.2437503697,0.2437503697,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ga-N-Y,64.0,AB2C_oP64_61_2c_4c_2c:Ga-N-Y +mp-976384,HoB4W,-7.9775599183,-0.6012088878,0.0,-0.0675527363,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-W,24.0,A4BC_oP24_55_4h_g_g:B-Ho-W +mp-1191254,Ho3B7W,-7.2838729736,-0.6055912249000001,0.0,-0.0352600236,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Ho-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Ho-W +mp-1216857,U4(BRu4)3,-9.6738653074,-0.3845681583,0.0058159779,0.0058159779,GGA,P4/mmm,A3B12C4_tP19_123_ag_ef2gi_2h:B-Ru-U,19.0,"Invalid WP multiplicities - A3B12C4_tP19_123_a2g_2e2f2g4i_2h:B-Ru-U, expected U4B5Ru28 to be U4(BRu4)3" +mp-1208853,U(BRu)2,-8.557472375,0.0823273513,0.5677684183,0.5677684183,GGA,I4_1/acd,A2B2C_tI80_142_g_g_c:B-Ru-U,40.0,A2B2C_tI80_142_g_g_c:B-Ru-U +mp-15355,U(BRu)4,-8.7686745575,-0.423498196,0.0,-0.0008943857,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-U,36.0,A4B4C_tI72_142_g_g_b:B-Ru-U +mp-1103253,UB4Ru,-8.4144104575,-0.5338471853,0.0,-0.0575231531,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-Ru-U,12.0,A4BC_oC24_65_gip_h_j:B-Ru-U +mp-10137,UB2Ru3,-9.206324355,-0.4607574931,0.0,-0.0420779065,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-U,6.0,A2B3C_hP6_191_c_g_a:B-Ru-U +mp-1068296,Fe(BW)2,-9.97583347,-0.4268204277,0.0,-0.0616905875,GGA,Immm,A2BC2_oI10_71_e_c_g:B-Fe-W,5.0,A2BC2_oI10_71_e_c_g:B-Fe-W +mp-613327,Fe(BW)2,-9.925680028,-0.3766669857,0.050153442,-0.0115371455,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Fe-W,10.0,A2BC2_tP10_127_g_a_h:B-Fe-W +mp-1103093,FeBW,-9.7326140667,-0.3634329964,0.0,-0.0077493067,GGA,Pnma,ABC_oP12_62_c_c_c:B-Fe-W,12.0,ABC_oP12_62_c_c_c:B-Fe-W +mp-1224794,Fe22B6W,-8.443179811,-0.1888712774,0.0077735729,0.0077735729,GGA,F-43m,A6B22C_cF116_216_g_ac2eh_b:B-Fe-W,29.0,A6B22C_cF116_216_g_ac2eh_b:B-Fe-W +mp-1421344,Zn(WN)2,-8.485296876,0.284501908,0.71591454,0.71591454,GGA,P-4m2,A2B2C_tP5_115_g_e_b:N-W-Zn,5.0,A2B2C_tP5_115_g_e_b:N-W-Zn +mp-1245967,Zn3WN4,-6.6918785481,-0.4314609531,0.0,-0.2092716819,GGA,Pmn2_1,A4BC3_oP16_31_2ab_a_ab:N-W-Zn,16.0,A4BC3_oP16_31_2ab_a_ab:N-W-Zn +mp-1384862,Zn2WN2,-6.324376535,0.105744925,0.5026600092,0.5026600092,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:N-W-Zn,10.0,A2BC2_mC20_12_2i_i_2i:N-W-Zn +mp-1207510,YbSI,-3.7737960717,-1.3906545727,0.4567506417,0.4567506417,GGA,P-6,ABC_hP12_174_bk_cj_ej:I-S-Yb,,ABC_hP12_174_bk_cj_ej:I-S-Yb +mp-1189122,K3YbN6,-4.0086755185,1.4803019486,1.9683723237,1.9683723237,GGA,R32,A3B6C_hR60_155_de_2f_c:K-N-Yb,,A3B6C_hR60_155_de_2f_c:K-N-Yb +mp-1238763,K3YbN6,-4.011169209,1.4778082581,1.9658786332,1.9658786332,GGA,R-3c,A3B6C_hR60_167_e_f_b:K-N-Yb,,A3B6C_hR60_167_e_f_b:K-N-Yb +mp-1207695,TmSI,-5.07415016,-1.7122662799,0.3464522068,0.3464522068,GGA,P-6m2,ABC_hP3_187_b_c_e:I-S-Tm,3.0,ABC_hP3_187_b_c_e:I-S-Tm +mp-31066,LiUN2,-8.8581213338,-1.3897906521,0.0,-0.1194829841,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-N-U,8.0,AB2C_tI16_141_a_e_b:Li-N-U +mp-1104760,Li2UN2,-7.4238429327,-1.067393814,0.0444387077,0.0444387077,GGA,P-3,A2B2C_hP15_147_g_g_ad:Li-N-U,15.0,A2B2C_hP15_147_g_g_ad:Li-N-U +mp-1206429,Li2UN2,-7.424306836,-1.0678577173,0.0439748043,0.0439748043,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-U,5.0,A2B2C_hP5_164_d_d_a:Li-N-U +mp-1187781,UIrO3,-8.537287552,-1.5433054872,1.34720134,1.34720134,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ir-O-U,5.0,AB3C_cP5_221_b_c_a:Ir-O-U +mp-999265,RbYS2,-6.032695565,-2.1027193351,0.0,-0.1822941281,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Y,4.0,AB2C_hR12_166_a_c_b:Rb-S-Y +mp-1186883,Rb3Y,-1.7318843675000002,0.6201339652,0.6201339652,0.6201339652,GGA,I4/mmm,A3B_tI8_139_ad_b:Rb-Y,4.0,A3B_tI8_139_ad_b:Rb-Y +mp-974732,Rb3Y,-1.7203666325,0.6316517002,0.6316517002,0.6316517002,GGA,Fm-3m,A3B_cF16_225_ac_b:Rb-Y,4.0,A3B_cF16_225_ac_b:Rb-Y +mp-1207917,URuC2,-9.8060645806,-0.0502786969,0.1343693066,0.1343693066,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Ru-U,16.0,A2BC_oP16_62_2c_c_c:C-Ru-U +mp-1069160,U2RuC2,-10.30138747,-0.238476761,0.0,-0.0605353485,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Ru-U,5.0,A2BC2_tI10_139_e_a_e:C-Ru-U +mp-1219326,Si3B3W10,-10.5463088094,-0.177844328,0.0667655375,0.0667655375,GGA,Fmm2,A3B3C10_oF64_42_ac_ab_c2de:B-Si-W,16.0,"Invalid WP multiplicities - A3B3C10_oF64_42_ac_ab_c4d2e:B-Si-W, expected SiBW6 to be Si3B3W10" +mp-1246479,CrBN2,-8.922388095,-0.6710308223,0.4054275512,0.4054275512,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:B-Cr-N,8.0,ABC2_hP8_194_c_a_f:B-Cr-N +mp-1220459,Nb4WC5,-10.265112705,-0.3144449198,0.1092656675,0.1092656675,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-Nb-W,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a3c_3c_b:C-Nb-W, expected Nb6WC7 to be Nb4WC5" +mp-1188570,UTcC2,-10.2056605794,-0.1783155944,0.0,-0.0949822106,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Tc-U,16.0,A2BC_oP16_62_2c_c_c:C-Tc-U +mp-1197354,ZrU2S5,-8.2615835713,-1.7849873232,0.0186392328,0.0186392328,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-U-Zr,32.0,A5B2C_oP32_62_3cd_d_c:S-U-Zr +mp-1216014,Zr(US2)3,-8.47529707,-1.7512340839,0.0454964522,0.0454964522,GGA,Pmc2_1,A6B3C_oP20_26_3a3b_a2b_a:S-U-Zr,20.0,A6B3C_oP20_26_3a3b_a2b_a:S-U-Zr +mp-1215176,ZrUS2,-8.69189574,-1.6638931466,0.0,-0.0094184175,GGA,R-3m,A2BC_hR12_166_c_a_b:S-U-Zr,4.0,A2BC_hR12_166_c_a_b:S-U-Zr +mp-29980,Nb4B3C2,-9.3598991211,-0.5931517369,0.0502051603,0.0502051603,GGA,Cmcm,A3B2C4_oC36_63_3c_2c_4c:B-C-Nb,18.0,A3B2C4_oC36_63_3c_2c_4c:B-C-Nb +mp-29981,Nb7(BC)4,-9.5831459267,-0.6270549711,0.0,-0.0034392663,GGA,Immm,A4B4C7_oI30_71_ef_2e_c3e:B-C-Nb,15.0,"Invalid WP multiplicities - A4B4C7_oI30_71_2ef_4f_a3f:B-C-Nb, expected Nb7(B3C4)2 to be Nb7(BC)4" +mp-29982,Nb7(B2C)3,-9.3037507019,-0.649283053,0.0112856389,0.0112856389,GGA,Cmmm,A6B3C7_oC32_65_3g_ah_cg2h:B-C-Nb,16.0,"Invalid WP multiplicities - A6B3C7_oC32_65_3g_a2h_cg2h:B-C-Nb, expected Nb7B6C5 to be Nb7(B2C)3" +mp-29979,Nb3B3C,-9.1747538421,-0.6646458529,0.0180522893,0.0180522893,GGA,Cmcm,A3BC3_oC28_63_3c_c_3c:B-C-Nb,14.0,A3BC3_oC28_63_3c_c_3c:B-C-Nb +mp-1207981,YBi2C,-5.0953811947,0.7486475218,1.2059250309,1.2059250309,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:Bi-C-Y,32.0,A2BC_tP32_135_2h_h_g:Bi-C-Y +mp-3991,UMoC2,-10.4486636375,-0.3000658612,0.0,-0.1212523872,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mo-U,16.0,A2BC_oP16_62_2c_c_c:C-Mo-U +mp-1025174,U2Mo2C3,-10.48437493,-0.2043582561,0.0528410536,0.0528410536,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-U,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-U +mp-1078036,U2Mo2C3,-10.4155824114,-0.1355657375,0.1216335721,0.1216335721,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-U,7.0,A3B2C2_mC14_12_ai_i_i:C-Mo-U +mp-771830,Sr2YI7,-3.85243981,-1.836537563,0.0648688695,0.0648688695,GGA,P2_1,A7B2C_mP40_4_14a_4a_2a:I-Sr-Y,40.0,"Invalid WP multiplicities - A7B2C_mP40_4_27a_7a_3a:I-Sr-Y, expected Sr7(YI9)3 to be Sr2YI7" +mp-771829,Sr2YI7,-3.819608759,-1.803706512,0.0976999205,0.0976999205,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:I-Sr-Y,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_21e_7e_e:I-Sr-Y, expected Sr7YI21 to be Sr2YI7" +mp-771936,Sr3YI9,-3.7662192275,-1.8588924103,0.0643295369,0.0643295369,GGA,Pc,A9B3C_mP52_7_18a_6a_2a:I-Sr-Y,52.0,"Invalid WP multiplicities - A9B3C_mP52_7_34a_12a_4a:I-Sr-Y, expected Sr6Y2I17 to be Sr3YI9" +mp-28863,Y6OsI10,-5.2699941876,-1.4605907988,0.0,-0.0285773809,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Os-Y,17.0,A10BC6_aP17_2_5i_a_3i:I-Os-Y +mp-1078963,V3GaN,-8.473873032,-0.7506112005000001,0.0,-0.0098444701,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ga-N-V,10.0,ABC3_oC20_63_c_a_cf:Ga-N-V +mp-2646985,V2GaN,-8.2442108975,-0.8611101256,0.0,-0.0178563873,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ga-N-V,8.0,ABC2_hP8_194_c_a_f:Ga-N-V +mp-1190661,V3Ga2N,-7.5959922875,-0.6552580908,0.006650687,0.006650687,GGA,P4_132,A2BC3_cP24_213_c_a_d:Ga-N-V,24.0,A2BC3_cP24_213_c_a_d:Ga-N-V +mp-1246016,VGaN2,-7.8193779319,-0.6231299463000001,0.3762890144,0.3762890144,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Ga-N-V,16.0,AB2C_oP16_33_a_2a_a:Ga-N-V +mp-1097681,V2RuW,-6.059675785,4.0404104425,4.2402824033,4.2402824033,GGA,Immm,AB2C_oI8_71_a_e_b:Ru-V-W,4.0,AB2C_oI8_71_a_e_b:Ru-V-W +mp-1215890,YThN2,-9.4340076125,-1.7956778092,0.01425661,0.01425661,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Th-Y,4.0,A2BC_tP4_123_ad_b_c:N-Th-Y +mp-1206792,Yb2I2F,-3.048995778,-1.4615101325,1.0481580645,1.0481580645,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-I-Yb,,AB2C2_tP5_123_a_g_g:F-I-Yb +mp-972236,V2MoW,-10.5918946725,-0.0989965525,0.0,-0.013853164,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-V-W,4.0,AB2C_cF16_225_a_c_b:Mo-V-W +mp-1093572,VMoW2,-6.4691763525,4.9922778075,5.0669566833,5.0669566833,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-V-W,4.0,ABC2_oI8_71_a_b_e:Mo-V-W +mp-23046,SrIF,-4.8332014983,-3.1417552414,0.0,-0.0275058512,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-I-Sr,6.0,ABC_tP6_129_a_c_c:F-I-Sr +mp-1207271,Sr2I2F,-3.124910638,-1.4774709232,1.0063643206,1.0063643206,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-I-Sr,5.0,AB2C2_tP5_123_a_g_g:F-I-Sr +mp-1211482,KPu2F9,-7.6142848979,-3.7101693717,0.0,-0.0531991585,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-K-Pu,48.0,A9BC2_oP48_62_c4d_c_d:F-K-Pu +mp-29817,GaP2I9,-2.8158271586,-0.5562439765,0.0,-0.0286824397,GGA,Pbca,AB9C2_oP96_61_c_9c_2c:Ga-I-P,96.0,AB9C2_oP96_61_c_9c_2c:Ga-I-P +mp-1187714,UPdO3,-8.711690712,-2.4494191212,0.441087706,0.441087706,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pd-U,5.0,A3BC_cP5_221_c_a_b:O-Pd-U +mp-5268,U2SbN2,-10.064735934,-1.387773712,0.0,-0.1673638407,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:N-Sb-U,5.0,A2BC2_tI10_139_d_a_e:N-Sb-U +mp-29026,MnWN2,-10.1062776775,-0.4079938345,0.1478791759,0.1478791759,GGA,P6_3mc,AB2C_hP8_186_a_ab_b:Mn-N-W,8.0,AB2C_hP8_186_a_ab_b:Mn-N-W +mp-1207997,U2I2N,-6.79016771,-0.016958181,1.243265522,1.243265522,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-N-U,5.0,A2BC2_tP5_123_g_a_g:I-N-U +mp-27763,UIN,-8.609747245,-1.57599015,0.0,-0.1553141358,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-N-U,6.0,ABC_tP6_129_c_a_c:I-N-U +mp-1216134,Y2P7Rh12,-7.5501893152,-0.9217248289,0.0,-0.0524133135,GGA,P-3,A7B12C2_hP21_147_ag_2g_d:P-Rh-Y,21.0,A7B12C2_hP21_147_ag_2g_d:P-Rh-Y +mp-29485,Y4BBr6,-5.6827798184,-1.8770119817,0.0,-0.0156737173,GGA,C2/c,AB6C4_mC88_15_f_6f_4f:B-Br-Y,44.0,AB6C4_mC88_15_f_6f_4f:B-Br-Y +mp-1207808,Y3BBr3,-5.9566778232,-1.565550666,0.0,-0.030366617,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Br-Y,28.0,AB3C3_cI56_214_a_h_g:B-Br-Y +mp-1445845,Zr9BW4,-9.0126007588,0.6617719813,0.8300724533,0.8300724533,GGA,Cmcm,AB4C9_oC56_63_c_acg_cfgh:B-W-Zr,84.0,"Invalid WP multiplicities - AB4C9_oC56_63_c_a2c2g_2c4f2g4h:B-W-Zr, expected Zr30BW7 to be Zr9BW4" +mp-1192767,Zr9BW4,-9.7821797079,-0.1078069678,0.0604935043,0.0604935043,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:B-W-Zr,28.0,AB4C9_hP28_194_c_ah_hk:B-W-Zr +mp-1191731,Er3B7W,-7.2980837614,-0.6238083927,0.0,-0.0346260557,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Er-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Er-W +mp-1192093,ErB4W,-7.9789580575,-0.6050553703,0.0,-0.068220038,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-W,24.0,A4BC_oP24_55_4h_g_g:B-Er-W +mp-570755,KTaN2,-8.5167338158,-1.106442209,0.0,-0.2122872521,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:K-N-Ta +mp-1215950,YB4W3,-9.3763544938,-0.3690508829,0.0707871697,0.0707871697,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:B-W-Y,8.0,A4B3C_oP8_25_abcd_abc_d:B-W-Y +mp-14373,Y3B7W,-7.7741692114,-0.5820523054,0.0,-0.0315942069,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-W-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c4f_c_c2f:B-W-Y, expected Y5B9W to be Y3B7W" +mp-1190755,YB4W,-8.2768121412,-0.5864507368,0.0,-0.0615931355,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-W-Y,24.0,A4BC_oP24_55_4h_g_g:B-W-Y +mp-1216800,U4Be51B,-4.4137792137,-0.0824383579,0.0,-0.0157387498,GGA,R-3,AB51C4_hR168_148_a_bc8f_2c:B-Be-U,56.0,"Invalid WP multiplicities - AB51C4_hR168_148_a_bc48f_4c:B-Be-U, expected U8Be291B to be U4Be51B" +mp-1106398,V5Ge3B,-7.7878733039,-0.4580948944,0.0,-0.0017011728,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Ge-V,18.0,AB3C5_hP18_193_b_g_dg:B-Ge-V +mp-1190612,UMnB4,-8.4501843487,-0.5883522845,0.0,-0.063821609,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-U,24.0,A4BC_oP24_55_4h_g_g:B-Mn-U +mp-1191641,YVB4,-7.7474711996,-0.7028138218000001,0.0,-0.0332771763,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-V-Y,24.0,A4BC_oP24_55_4h_g_g:B-V-Y +mp-1072971,U2TiH3,-6.8356739883,-0.0595922931,0.3312344791,0.3312344791,GGA,P6/mmm,A3BC2_hP6_191_f_a_d:H-Ti-U,6.0,A3BC2_hP6_191_f_a_d:H-Ti-U +mp-24659,UH3,-5.7645632512,-0.397166215,0.0048250472,-0.397166215,GGA,Pm-3n,A3B_cP8_223_c_a:H-U,8.0,A3B_cP8_223_c_a:H-U +mp-504970,UH3,-5.7693882984,-0.4019912622,0.0,-0.4019912622,GGA,Pm-3n,A3B_cP32_223_k_ac:H-U,32.0,A3B_cP32_223_k_ac:H-U +mp-2647155,Eu(BH4)2,-5.079621798,-0.4652950978,0.0094066461,-0.1587605525,GGA,P2_1/c,A2BC8_mP44_14_2e_e_8e:B-Eu-H,44.0,A2BC8_mP44_14_2e_e_8e:B-Eu-H +mp-1195232,Eu(BH4)2,-5.0758271559,-0.4615004558,0.0132012882,-0.1549659105,GGA,Pbcn,A2BC8_oP44_60_d_c_4d:B-Eu-H,44.0,A2BC8_oP44_60_d_c_4d:B-Eu-H +mp-2646920,Eu(BH4)2,-5.0890284441,-0.4747017439,0.0,-0.1681671986,GGA,Pbcn,A2BC8_oP44_60_d_c_4d:B-Eu-H,44.0,A2BC8_oP44_60_d_c_4d:B-Eu-H +mp-1188689,Nd(YS2)3,-7.2833614195,-2.3847354221,0.0,-0.0124239081,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Nd-S-Y,20.0,AB6C3_mP20_11_e_6e_3e:Nd-S-Y +mp-1213633,EuU2S5,-8.5044931962,-1.814234302,0.0666586138,0.0666586138,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Eu-S-U,32.0,AB5C2_oP32_62_c_3cd_d:Eu-S-U +mp-1184456,Eu3U,-9.86771069,0.6478931625000001,0.6478931625000001,0.6478931625000001,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-U,4.0,A3B_cF16_225_ac_b:Eu-U +mp-1184404,EuU3,-10.304528045,0.7282799125,0.7282799125,0.7282799125,GGA,Pm-3m,AB3_cP4_221_a_c:Eu-U,4.0,AB3_cP4_221_a_c:Eu-U +mp-1224421,GdUC4,-10.4470581467,-0.0666924433,0.0845139581,0.0845139581,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Gd-U,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Gd-U, expected GdUC6 to be GdUC4" +mp-1188587,ErWC2,-9.3037119256,-0.3079169194,0.0,-0.064515146,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Er-W,16.0,A2BC_oP16_62_2c_c_c:C-Er-W +mp-1216248,VWC2,-10.2098227625,-0.0849809413,0.2247589087,0.2247589087,GGA,R-3m,A2BC_hR12_166_c_a_b:C-V-W,4.0,A2BC_hR12_166_c_a_b:C-V-W +mp-1216466,V4WC5,-9.820701987,-0.2769937898,0.1455716059,0.1455716059,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-V-W,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a2c_3c_b:C-V-W, expected V6WC5 to be V4WC5" +mp-1216260,VW2C3,-10.411976065,0.0357177696,0.2827767608,0.2827767608,GGA,Immm,A3BC2_oI12_71_ae_c_f:C-V-W,6.0,A3BC2_oI12_71_ae_c_f:C-V-W +mp-641575,Cr21(WC3)2,-9.8780293538,-0.0848483095,0.0,-0.0142180435,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:C-Cr-W,29.0,A6B21C2_cF116_225_e_afh_c:C-Cr-W +mp-1193668,Cr20(WC2)3,-9.9616846052,-0.0545351898,0.0286706998,0.0286706998,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:C-Cr-W,29.0,A6B20C3_cF116_225_e_fh_ac:C-Cr-W +mp-1193310,Cr22WC6,-9.7153336,-0.0361209267,0.0419270869,0.0419270869,GGA,Fm-3m,A6B22C_cF116_225_e_cfh_a:C-Cr-W,29.0,A6B22C_cF116_225_e_cfh_a:C-Cr-W +mp-1193149,Cr3(W10C3)2,-11.6624477672,0.1821639557,0.2374487078,0.2374487078,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:C-Cr-W,29.0,A6B3C20_cF116_225_e_ac_fh:C-Cr-W +mp-989645,YWN3,-10.079925512,-1.1931082883,0.0145567045,-0.122609876,GGA,P2_1/m,A3BC_mP10_11_3e_e_e:N-W-Y,10.0,"Invalid WP multiplicities - A3BC_mP10_11_5e_e_e:N-W-Y, expected YWN5 to be YWN3" +mp-989615,YWN3,-10.0944822165,-1.2076649928,0.0,-0.1371665805,GGA,C2/c,A3BC_mC40_15_3f_f_2e:N-W-Y,20.0,"Invalid WP multiplicities - A3BC_mC40_15_8f_f_4e:N-W-Y, expected Y2WN8 to be YWN3" +mp-989407,YWN3,-10.055900034,-1.1690828103,0.0385821825,-0.098584398,GGA,Pmc2_1,A3BC_oP10_26_2ab_a_b:N-W-Y,10.0,"Invalid WP multiplicities - A3BC_oP10_26_2a4b_b_a:N-W-Y, expected YWN6 to be YWN3" +mp-989617,YWN3,-10.070145615,-1.1833283913,0.0243366015,-0.112829979,GGA,Ama2,A3BC_oC20_40_3b_b_b:N-W-Y,10.0,"Invalid WP multiplicities - A3BC_oC20_40_5b_b_b:N-W-Y, expected YWN5 to be YWN3" +mp-989609,YWN3,-10.072038183,-1.1852209593,0.0224440335,-0.114722547,GGA,Cmcm,A3BC_oC20_63_cf_c_c:N-W-Y,10.0,"Invalid WP multiplicities - A3BC_oC20_63_2c2f_c_c:N-W-Y, expected YWN6 to be YWN3" +mp-989576,YWN3,-10.048542458,-1.1617252343,0.0459397585,-0.091226822,GGA,R3c,A3BC_hR30_161_b_a_a:N-W-Y,10.0,A3BC_hR30_161_b_a_a:N-W-Y +mp-1247461,VWN3,-9.9104276765,-0.5001234615,0.3602444335,0.3602444335,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-V-W,20.0,A3BC_aP20_2_6i_2i_2i:N-V-W +mp-1238776,VBC,-8.4551918267,-0.1245373822,0.4402531375,0.4402531375,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-V,6.0,ABC_hP6_194_c_d_a:B-C-V +mp-1217011,V2(B24C)3,-6.8963120145,-0.055142974,0.0233420101,0.0233420101,GGA,P222,A72B3C2_oP154_16_36u_cfjk_ahi:B-C-V,154.0,"Invalid WP multiplicities - A72B3C2_oP154_16_120u_cf2jk_bg2i:B-C-V, expected V3(B60C)4 to be V2(B24C)3" +mp-1207879,UV5P3,-8.92428025,-0.8186304856000001,0.0,-0.0459145972,GGA,P2_1/m,A3BC5_mP18_11_3e_e_5e:P-U-V,18.0,A3BC5_mP18_11_3e_e_5e:P-U-V +mp-31280,K4P21I,-4.9183840369,-0.3186026993,0.0,-0.0125923734,GGA,Cmcm,AB4C21_oC104_63_c_eg_cf3g3h:I-K-P,52.0,"Invalid WP multiplicities - AB4C21_oC104_63_c_eg_cf3g4h:I-K-P, expected K4P25I to be K4P21I" +mp-33554,Na3GdCl6,-5.276064901,-2.362573093,0.0,-0.003165419,GGA,R-3,A6BC3_hR30_148_f_a_bc:Cl-Gd-Na,10.0,"Invalid WP multiplicities - A6BC3_hR30_148_f_a_b2c:Cl-Gd-Na, expected Na5GdCl6 to be Na3GdCl6" +mp-1111894,Na3GdCl6,-5.131466241,-2.217974433,0.14459866,0.141433241,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Gd-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-Gd-Na +mp-28156,NaGdCl4,-6.3247341,-2.5259350711,0.0,-0.0129690583,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Gd-Na,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:Cl-Gd-Na, expected NaGdCl7 to be NaGdCl4" +mp-1114019,Rb2NaGdCl6,-5.300567565,-2.4554740012,0.003879775,0.003879775,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Na-Rb +mp-1210500,Na2GdCl5,-5.6510680934,-2.4055860776,0.0182477572,0.0182477572,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Gd-Na,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Gd-Na +mp-1114105,Rb3GdCl6,-5.25159034,-2.4406958982,0.045709065,0.045709065,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Gd-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Gd-Rb +mp-1209362,RbGd2Cl7,-6.8890536873,-2.68180017,0.0,-0.0425106423,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:Cl-Gd-Rb,40.0,A7B2C_oP40_62_c3d_2c_c:Cl-Gd-Rb +mp-1209447,Rb2GdCl5,-5.7067722862,-2.5467880756,0.0,-0.0288357767,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Gd-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Gd-Rb +mp-1203029,U2B6W,-8.9520966975,-0.5501743781,0.0,-0.0198286125,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-U-W,36.0,A6B2C_oP36_55_6h_2g_g:B-U-W +mp-865423,UB4W,-8.9963873017,-0.5018694144,0.0015615525,-0.0039601092,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-U-W,24.0,A4BC_oP24_55_4h_g_g:B-U-W +mp-1103255,UB4W,-8.9979488542,-0.5034309669,0.0,-0.0055216617,GGA,Cmmm,A4BC_oC24_65_gip_h_j:B-U-W,12.0,A4BC_oC24_65_gip_h_j:B-U-W +mp-1191272,UVB4,-8.4970130304,-0.6481991699,0.0133133396,0.0133133396,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-U-V,24.0,A4BC_oP24_55_4h_g_g:B-U-V +mp-12815,Na2LiAu3,-2.8308351283,-0.4348985527,0.0,-0.0321518578,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Au-Li-Na,12.0,A3BC2_hP12_194_h_a_f:Au-Li-Na +mp-1093741,NaLi2Au,-1.47766434,0.6258989167,0.968343017,0.968343017,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Li-Na,4.0,AB2C_oI8_71_a_e_b:Au-Li-Na +mp-1113945,Na2LiAuCl6,-3.247010277,-1.3551027356,0.2307141393,0.2307141393,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Li-Na +mp-1113311,Na3AuCl6,-3.160861053,-1.327593269,0.2527620648,0.2527620648,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Cl-Na,10.0,AB6C3_cF40_225_a_e_bc:Au-Cl-Na +mp-570193,NaAuCl4,-3.2259401596,-1.227514504,0.0,-0.04427432,GGA,P2_1/c,AB4C_mP96_14_4e_16e_4e:Au-Cl-Na,96.0,"Invalid WP multiplicities - AB4C_mP96_14_13e_62e_13e:Au-Cl-Na, expected Na13Au13Cl62 to be NaAuCl4" +mp-1079848,GaFe2AgTe4,-4.6295932,-0.2078534476,0.2159054581,0.2159054581,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Ag-Fe-Ga-Te,8.0,AB2CD4_tI16_121_a_d_b_i:Ag-Fe-Ga-Te +mp-685618,FeAgTe2,-4.4508634381,-0.0535661881,0.292930119,0.292930119,GGA,Pmn2_1,ABC2_oP16_31_2a_2a_4a:Ag-Fe-Te,16.0,ABC2_oP16_31_4a_4a_8a:Ag-Fe-Te +mp-29659,FeAgTe2,-4.4425336333,-0.0452363833,0.3012599238,0.3012599238,GGA,P-3m1,ABC2_hP12_164_ad_f_i:Ag-Fe-Te,12.0,ABC2_hP12_164_ad_f_i:Ag-Fe-Te +mp-1224997,FeAgTe2,-4.5553756725,-0.1580784225,0.1884178846,0.1884178846,GGA,P-3m1,ABC2_hP4_164_a_b_d:Ag-Fe-Te,4.0,ABC2_hP4_164_a_b_d:Ag-Fe-Te +mp-1224790,GaAgTe2,-3.510250685,-0.4734347319,0.0275867725,-0.0379842206,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ag-Ga-Te,4.0,ABC2_tP4_115_a_c_g:Ag-Ga-Te +mp-4899,GaAgTe2,-3.5378374575,-0.5010215044,0.0,-0.0655709931,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Ga-Te,8.0,ABC2_tI16_122_a_b_d:Ag-Ga-Te +mp-675033,Ga12Ag2Te19,-3.5845487821,-0.5019707139,0.0552529129,0.0552529129,GGA,P1,A2B12C19_aP33_1_2a_12a_19a:Ag-Ga-Te,33.0,A2B12C19_aP33_1_2a_12a_19a:Ag-Ga-Te +mp-1201357,Cs3Tm11Te18,-4.9946766216,-1.6040546574,0.0,-0.0497989821,GGA,C2/m,A3B18C11_mC64_12_ai_9i_d5i:Cs-Te-Tm,32.0,A3B18C11_mC64_12_ai_9i_c5i:Cs-Te-Tm +mp-567386,Cs2Cd3Te4,-2.8097665833,-0.9061335169,0.0,-0.0825064083,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Cd-Cs-Te,18.0,"Invalid WP multiplicities - A3B2C4_oI36_72_2a3f_j_k:Cd-Cs-Te, expected Cs(Cd2Te)2 to be Cs2Cd3Te4" +mp-12496,CsTmCdTe3,-3.8934908842,-1.2728166783,0.0,-0.0248709338,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Te-Tm,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cd-Cs-Te-Tm, expected CsTmCdTe5 to be CsTmCdTe3" +mp-1080231,CsTlCl3,-3.41700106,-1.6562699603,0.026384845,0.0255001945,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-Cs-Tl,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Tl +mp-1395579,CsTlCl3,-3.416918578,-1.6561874783,0.026467327,0.0255826765,GGA,P4mm,A3BC_tP5_99_ac_b_a:Cl-Cs-Tl,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Tl +mp-1112176,CsTlCl3,-3.443385905,-1.6826548053,0.0,-0.0008846505,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Cl-Cs-Tl,10.0,A3BC_cF40_225_e_c_ab:Cl-Cs-Tl +mp-1112527,Cs2NaTlCl6,-3.496559336,-1.8398400216,0.0,-0.0009469795,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tl +mp-1197143,Cs11Tl6Cl29,-3.3851979924,-1.6975273812,0.0493738138,0.0493738138,GGA,C2/m,A29B11C6_mC92_12_af5i4j_b5i_3i:Cl-Cs-Tl,46.0,A29B11C6_mC92_12_ae5i4j_b5i_3i:Cl-Cs-Tl +mp-1192769,Cs3Tl2Cl9,-3.4090706618,-1.6913332797,0.0,-0.0121966473,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Cl-Cs-Tl,28.0,A9B3C2_hR84_167_ef_e_c:Cl-Cs-Tl +mp-1112344,Cs3TlCl6,-3.447210653,-1.8332036307,0.0347561205,0.0347561205,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tl,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tl +mp-1213698,Cs6Na4Tl13,-1.9377041239,-0.1387095016,0.0,-0.0827103161,GGA,Im-3,A6B4C13_cI46_204_e_c_ag:Cs-Na-Tl,23.0,A6B4C13_cI46_204_e_c_ag:Cs-Na-Tl +mp-541696,Cs2TlCl5,-3.4457285569,-1.771212158,0.0,-0.0094267728,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Tl,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Tl +mp-571609,HfGaPt,-7.3175145061,-0.9653750486,0.0,-0.1310816555,GGA,P-62c,ABC_hP18_190_g_h_bf:Ga-Hf-Pt,18.0,"Invalid WP multiplicities - ABC_hP18_190_g_h_2b2f:Ga-Hf-Pt, expected HfGaPt2 to be HfGaPt" +mp-1192479,Hf6Ga16Pd7,-5.513297239,-0.5321991972,0.0450299187,0.0450299187,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Pd,29.0,A16B6C7_cF116_225_2f_e_ad:Ga-Hf-Pd +mp-20381,HfGaPd,-6.7765978622,-0.7215422414,0.0,-0.0538876486,GGA,P-62c,ABC_hP18_190_g_h_bf:Ga-Hf-Pd,18.0,"Invalid WP multiplicities - ABC_hP18_190_g_h_b2f:Ga-Hf-Pd, expected Hf3Ga3Pd5 to be HfGaPd" +mp-1093556,HfGaPd2,-4.07784848,1.7584136881,2.5239895444,2.5239895444,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Hf-Pd,4.0,ABC2_oI8_71_a_b_e:Ga-Hf-Pd +mp-1224422,Hf3Ga3Pd2Pt,-6.9652649394,-0.8111813731,0.0,-0.0083615293,GGA,P-6,A3B3C2D_hP18_174_l_jk_abh_i:Ga-Hf-Pd-Pt,18.0,A3B3C2D_hP18_174_l_jk_abh_i:Ga-Hf-Pd-Pt +mp-1226210,CrFe3As2,-7.428351635,-0.0314603167,0.1040125267,0.1040125267,GGA,P-4m2,A2BC3_tP6_115_g_a_bg:As-Cr-Fe,6.0,A2BC3_tP6_115_g_a_bg:As-Cr-Fe +mp-1226236,CrFeAs4,-6.3023824667,-0.1757920833,0.0168345133,0.0168345133,GGA,P2/m,A4BC_mP6_10_mn_c_e:As-Cr-Fe,6.0,A4BC_mP6_10_mn_a_e:As-Cr-Fe +mp-1226290,CrFe3As4,-6.9071397238,-0.1946916337,0.0059578838,0.0059578838,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:As-Cr-Fe,8.0,A4BC3_mP8_6_2a2b_a_a2b:As-Cr-Fe +mp-1226425,Cr3Fe3GeAs2,-7.6585195589,-0.0684672583,0.0715972972,0.0715972972,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Ge,9.0,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Ge +mp-1226258,CrFeAs2,-7.0576880938,-0.1973617212,0.0007280488,0.0007280488,GGA,Pmn2_1,A2BC_oP8_31_2a_a_a:As-Cr-Fe,8.0,"Invalid WP multiplicities - A2BC_oP8_31_3a_a_a:As-Cr-Fe, expected CrFeAs3 to be CrFeAs2" +mp-1226104,Cr(FeAs3)2,-6.26176834,-0.2009016378,0.0155559911,0.0155559911,GGA,P2/m,A6BC2_mP18_10_3m3n_m_cen:As-Cr-Fe,18.0,"Invalid WP multiplicities - A6BC2_mP18_10_6m6n_m_ae2n:As-Cr-Fe, expected Cr(FeAs4)3 to be Cr(FeAs3)2" +mp-1225179,Fe12Ge3As2,-7.3961885759,-0.0533900526,0.0684844094,0.0684844094,GGA,R32,A2B12C3_hR51_155_c_acef_d:As-Fe-Ge,17.0,A2B12C3_hR51_155_c_acef_d:As-Fe-Ge +mp-1206083,CrFeAs,-7.6912723667,-0.097210005,0.0382628383,0.0382628383,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Cr-Fe,9.0,ABC_hP9_189_ad_f_g:As-Cr-Fe +mp-1226385,CrFeGe2,-6.8720995125,-0.029818415,0.0685663454,0.0685663454,GGA,P2_1,ABC2_mP8_4_a_a_2a:Cr-Fe-Ge,8.0,ABC2_mP8_4_a_a_2a:Cr-Fe-Ge +mp-1226302,Cr3FeAs4,-7.1837183275,-0.1755136725,0.01237807,0.01237807,GGA,Pm,A4B3C_mP8_6_2a2b_a2b_a:As-Cr-Fe,8.0,A4B3C_mP8_6_2a2b_a2b_a:As-Cr-Fe +mp-1207611,YSI,-5.7992160433,-1.7737869333,0.328282385,0.328282385,GGA,P-6m2,ABC_hP3_187_b_c_e:I-S-Y,3.0,ABC_hP3_187_b_c_e:I-S-Y +mp-1222966,LaSbSe3,-5.30482389,-1.3942753344,0.0333306476,0.0333306476,GGA,Pnma,ABC3_oP20_62_c_c_3c:La-Sb-Se,20.0,ABC3_oP20_62_c_c_3c:La-Sb-Se +mp-1200263,La4Fe(SbSe5)2,-5.6848482103,-1.483014864,0.1252342299,0.1252342299,GGA,Pbcm,AB4C2D10_oP68_57_c_2c2d_2d_2d4e:Fe-La-Sb-Se,68.0,AB4C2D10_oP68_57_c_2c2d_2d_2d4e:Fe-La-Sb-Se +mp-1223457,La2Fe4Sb5,-6.3343829609,-0.4801006655,0.1000954926,0.1000954926,GGA,Cm,A4B2C5_mC22_8_4a_2a_5a:Fe-La-Sb,11.0,A4B2C5_mC22_8_4a_2a_5a:Fe-La-Sb +mp-1103256,FeSbSe,-5.8582132633,-0.4932352874,0.0,-0.0803749075,GGA,P2_1/c,ABC_mP12_14_e_e_e:Fe-Sb-Se,12.0,ABC_mP12_14_e_e_e:Fe-Sb-Se +mp-1212218,La8Sb2Se15,-5.9658685971,-1.9584793377,0.0022825315,0.0022825315,GGA,I4_1cd,A8B2C15_tI200_110_4b_b_a7b:La-Sb-Se,100.0,A8B2C15_tI200_110_4b_b_a7b:La-Sb-Se +mp-30073,La(FeSb3)4,-5.5586992188,-0.3608105821,0.0,-0.0499639712,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-La-Sb,17.0,A4BC12_cI34_204_c_a_g:Fe-La-Sb +mp-1079119,LaFeSb2,-6.06863762,-0.6526299212000001,0.1064200457,0.1064200457,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Fe-La-Sb,8.0,ABC2_tP8_129_a_c_bc:Fe-La-Sb +mp-1186068,Na3Sc,-2.1482335,0.4267777463,0.4267777463,0.4267777463,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Sc,4.0,A3B_cP4_221_c_a:Na-Sc +mp-29417,Na3ScBr6,-3.9759947905,-2.014173294,0.0,-0.0295263535,GGA,P-31c,A6B3C_hP20_163_i_af_c:Br-Na-Sc,20.0,A6B3C_hP20_163_i_af_c:Br-Na-Sc +mp-1110797,Na3ScBr6,-3.834498154,-1.8726766575,0.1414966365,0.111970283,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Na-Sc,10.0,A6B3C_cF40_225_e_ac_b:Br-Na-Sc +mp-1206561,RbScBr3,-4.418660071,-2.0242424375,0.0134910913,0.0134910913,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Rb-Sc,10.0,A3BC_hP10_194_h_c_a:Br-Rb-Sc +mp-1110727,Rb3ScBr6,-3.964558532,-2.1053344018,0.0441293885,0.0441293885,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Rb-Sc,10.0,A6B3C_cF40_225_e_ac_b:Br-Rb-Sc +mp-1114016,Rb2NaScBr6,-3.998763002,-2.1053397497,0.0073407205,0.0073407205,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Sc +mp-1209523,Rb3Sc2Br9,-4.2964141664,-2.1832859237,0.0,-0.0704259129,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Br-Rb-Sc,28.0,A9B3C2_hP28_194_hk_bf_f:Br-Rb-Sc +mp-1186180,NaSc3,-4.6976909125,0.3822922396,0.3822922396,0.3822922396,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Sc,4.0,AB3_tI8_139_a_bd:Na-Sc +mp-1224096,Ho2CoGe4,-5.6042966443,-0.6378327936,0.0,-0.0095792602,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Ho,,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Ho +mp-1192267,Ho8In3Co,-4.6827332117000005,-0.3475132162,0.0,-0.0285375083,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Co-Ho-In,24.0,AB8C3_hP24_186_b_ab2c_c:Co-Ho-In +mp-12434,Ho2InGe2,-4.922531425,-0.6900199890000001,0.0076223827,0.0076223827,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ge-Ho-In,10.0,A2B2C_tP10_127_g_h_a:Ge-Ho-In +mp-570940,Ho7In(CoGe3)4,-5.62106198,-0.6736390108,0.0,-0.0277458197,GGA,P4/m,A4B12C7D_tP24_83_j_2jk_afk_c:Co-Ge-Ho-In,24.0,"Invalid WP multiplicities - A4B12C7D_tP24_83_j_5j3k_a2f3k_c:Co-Ge-Ho-In, expected Ho17In(CoGe8)4 to be Ho7In(CoGe3)4" +mp-1024962,HoInCo4,-6.1094803483,-0.1482530517,0.036643624,0.036643624,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Ho-In,6.0,A4BC_cF24_216_e_a_c:Co-Ho-In +mp-1079173,HoInCo2,-5.6413392888,-0.2536572412,0.0048071175,0.0048071175,GGA,Pmma,A2BC_oP8_51_af_f_e:Co-Ho-In,8.0,A2BC_oP8_51_af_f_e:Co-Ho-In +mp-1095599,HoCoGe,-6.1084748,-0.6705566267,0.0,-0.0408785372,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Ho,12.0,ABC_oP12_62_c_c_c:Co-Ge-Ho +mp-1095593,Ho2In8Co,-3.7592735518,-0.2786730632,0.0092621753,0.0092621753,GGA,P4/mmm,AB2C8_tP11_123_a_g_ehi:Co-Ho-In,11.0,AB2C8_tP11_123_a_g_ehi:Co-Ho-In +mp-1189461,Ho2Co3Ge5,-5.9388926495,-0.5784016095,0.0,-0.0210868165,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Ho,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Ho +mp-1212180,Ho6InCo2,-5.2150618422,-0.2747537822,0.0,-0.0162299558,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Ho-In,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Ho-In +mp-4415,Ho(CoGe)2,-6.218394836,-0.609374802,0.0,-0.0896624037,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Ho,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Ho +mp-1104175,Ho(CoGe)6,-6.1167989423,-0.3498387292,0.0183382,0.0183382,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Ho,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Ho +mp-1201298,Ho11(In3Ge2)2,-4.7167276883,-0.6496461945,0.0,-0.0296852633,GGA,I4/mmm,A4B11C6_tI84_139_dei_eh2n_hm:Ge-Ho-In,42.0,A4B11C6_tI84_139_dei_eh2n_hm:Ge-Ho-In +mp-1078737,HoCoGe2,-5.8579033687,-0.6237077750000001,0.0033376361,0.0033376361,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Ho,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Ho +mp-976397,Ho3(In2Co)2,-4.5547326144,-0.2246662678,0.1370928992,0.1370928992,GGA,P-6,A2B3C4_hP9_174_ad_j_ek:Co-Ho-In,9.0,A2B3C4_hP9_174_ad_j_ek:Co-Ho-In +mp-1205809,Ho2CoGe6,-5.3581533378,-0.4680085972,0.0280835756,0.0280835756,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Ho,9.0,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Ho +mp-21398,HoIn5Co,-3.8589570814,-0.2233648936,0.0053822583,0.0053822583,GGA,P4/mmm,ABC5_tP7_123_b_a_ci:Co-Ho-In,7.0,"Invalid WP multiplicities - ABC5_tP7_123_b_a_c2i:Co-Ho-In, expected HoIn9Co to be HoIn5Co" +mp-1198318,Ho3Co4Ge13,-5.5245572705,-0.4105642753,0.0067471001,0.0067471001,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Ho,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Ho +mp-1078740,Ho3(CoGe2)2,-5.8788180044,-0.7170431578,0.0046129611,0.0046129611,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Ho,9.0,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Ho +mp-1080818,Ho2CoGe2,-5.853728681,-0.749890432,0.0,-0.00275335,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Ho,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Ho +mp-22897,HgCl,-1.92641049,-0.8503019775,0.0,-0.0928848419,GGA,I4/mmm,AB_tI8_139_e_e:Cl-Hg,4.0,AB_tI8_139_e_e:Cl-Hg +mp-1113320,Rb2GaHgCl6,-3.278723176,-1.6403167267,0.1244994575,0.1244994575,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-Rb +mp-30231,RbGaCl4,-3.8100982658,-1.9096354767,0.0,-0.1160935883,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Ga-Rb,24.0,A4BC_oP24_62_2cd_c_c:Cl-Ga-Rb +mp-1209214,RbHg5Cl11,-2.5095529365,-1.1664447507,0.0,-0.011263119,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-Rb,17.0,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-Rb +mp-1203326,Ga2Hg3Cl8,-2.941969439,-1.2684674067,0.0,-0.0188011779,GGA,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:Cl-Ga-Hg,52.0,A8B2C3_mP52_14_8e_2e_3e:Cl-Ga-Hg +mp-1113996,Rb3GaCl6,-3.663466939,-1.957375119,0.0863551725,0.0863551725,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Ga-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Ga-Rb +mp-22855,HgCl2,-2.3434740758,-1.0098895142,0.0,-0.4430215292,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Hg,12.0,A2B_oP12_62_2c_c:Cl-Hg +mp-1102919,HgCl2,-2.2777449425,-0.9441603808,0.0657291333,-0.3772923958,GGA,Pnma,A2B_oP12_62_2c_c:Cl-Hg,12.0,A2B_oP12_62_2c_c:Cl-Hg +mp-1103091,GaHgCl4,-3.1414589192,-1.3538050812,0.0,-0.0178568548,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Ga-Hg,12.0,A4BC_aP12_2_4i_i_i:Cl-Ga-Hg +mp-1184605,Hg3Cl,-0.92060068,-0.2307062412,0.1944447475,0.1944447475,GGA,Fm-3m,AB3_cF16_225_a_bc:Cl-Hg,4.0,AB3_cF16_225_a_bc:Cl-Hg +mp-1246918,BW4N9,-9.9021070882,-0.3635094442,0.3074869514,0.3074869514,GGA,P6_3,AB9C4_hP28_173_a_3c_bc:B-N-W,28.0,AB9C4_hP28_173_a_3c_bc:B-N-W +mp-1203849,Ga8Sb7Se8Cl29,-3.8811347335,-1.2906995061,0.0,-0.0080841656,GGA,P-1,A29B8C7D8_aP104_2_29i_8i_7i_8i:Cl-Ga-Sb-Se,104.0,A29B8C7D8_aP104_2_29i_8i_7i_8i:Cl-Ga-Sb-Se +mp-28985,SbSeCl9,-3.2344825814,-1.0288696125,0.0,-0.0173398493,GGA,P2_1/m,A9BC_mP44_11_6e6f_2e_2e:Cl-Sb-Se,44.0,"Invalid WP multiplicities - A9BC_mP44_11_6e7f_2e_2e:Cl-Sb-Se, expected SbSeCl10 to be SbSeCl9" +mp-504937,SbSe9Cl7,-3.4069565057,-0.5521352611,0.0061374233,0.0061374233,GGA,P2_1/c,A7BC9_mP68_14_7e_e_9e:Cl-Sb-Se,68.0,"Invalid WP multiplicities - A7BC9_mP68_14_24e_e_31e:Cl-Sb-Se, expected SbSe31Cl24 to be SbSe9Cl7" +mp-1120728,GaSeCl,-4.0065481992,-1.2157001458,0.0,-0.0365622181,GGA,Pnnm,ABC_oP12_58_g_g_g:Cl-Ga-Se,12.0,ABC_oP12_58_g_g_g:Cl-Ga-Se +mp-27735,GaSbCl6,-3.7413304272,-1.4602907744,0.0,-0.0117158791,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:Cl-Ga-Sb,32.0,A6BC_mP32_14_6e_e_e:Cl-Ga-Sb +mp-31251,Ga(SbCl)4,-3.8768187044,-0.8836800797000001,0.0135546906,0.0135546906,GGA,Pna2_1,A4BC4_oP72_33_8a_2a_8a:Cl-Ga-Sb,72.0,A4BC4_oP72_33_8a_2a_8a:Cl-Ga-Sb +mp-28113,WSF4,-6.3606788467,-2.2372628522,0.1417228654,0.1417228654,GGA+U,Pca2_1,A4BC_oP48_29_8a_2a_2a:F-S-W,48.0,A4BC_oP48_29_8a_2a_2a:F-S-W +mp-555003,WF6,-6.3009885479,-2.8114165429,0.0,-0.4805085561,GGA+U,Pnma,A6B_oP28_62_2c2d_c:F-W,28.0,"Invalid WP multiplicities - A6B_oP28_62_2c3d_c:F-W, expected WF8 to be WF6" +mp-1402840,WF4,-6.74863825,-2.62782903,0.0,-0.0038402567,GGA+U,P1,A4B_aP10_1_8a_2a:F-W,10.0,"Invalid WP multiplicities - A4B_aP10_2_8i_ae:F-W, expected WF8 to be WF4" +mp-1367785,WF5,-6.4719801625,-2.7193926512,0.0155290946,0.0155290946,GGA+U,P2_1/c,A5B_mP24_14_5e_e:F-W,24.0,A5B_mP24_14_5e_e:F-W +mp-1386198,WF5,-6.4677496867,-2.7151621754,0.0197595704,0.0197595704,GGA+U,C2/c,A5B_mC24_15_e2f_a:F-W,12.0,"Invalid WP multiplicities - A5B_mC24_15_e3f_a:F-W, expected WF7 to be WF5" +mp-1047615,WF5,-6.2669581058,-2.5143705946,0.2205511512,0.2205511512,GGA+U,Cmcm,A5B_oC24_63_c2f_a:F-W,12.0,"Invalid WP multiplicities - A5B_oC24_63_c3f_a:F-W, expected WF7 to be WF5" +mp-1390563,WF5,-6.1114268067,-2.3588392954,0.3760824504,0.3760824504,GGA+U,Immm,A5B_oI12_71_bfg_a:F-W,6.0,A5B_oI12_71_bfg_a:F-W +mp-571558,HgBr2,-1.9798057122,-0.8432267039,0.0,-0.2429198122,GGA,P3,A2B_hP9_143_2d_abc:Br-Hg,9.0,"Invalid WP multiplicities - A2B_hP9_147_g_a2d:Br-Hg, expected Hg5Br6 to be HgBr2" +mp-619510,CsHg2Br5,-2.3713800362,-1.2128919422,0.0,-0.0221828262,GGA,P2_1/m,A5BC2_mP16_11_5e_e_2e:Br-Cs-Hg,16.0,"Invalid WP multiplicities - A5BC2_mP16_11_9e_e_4e:Br-Cs-Hg, expected CsHg4Br9 to be CsHg2Br5" +mp-542339,CsIn3,-2.4156296517,-0.1280162611,0.0,-0.1280162611,GGA,I-4m2,AB3_tI24_119_af_b2i:Cs-In,12.0,AB3_tI24_119_af_b2i:Cs-In +mp-23177,HgBr,-1.6624059625,-0.734051615,0.0,-0.1016315871,GGA,I4/mmm,AB_tI8_139_e_e:Br-Hg,4.0,AB_tI8_139_e_e:Br-Hg +mp-1112651,Cs3InBr6,-3.255904734,-1.7802986514,0.0,-0.0018538905,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-In,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-In +mp-998323,CsInBr3,-3.242876034,-1.5816418156,0.018994598,-0.017201726,GGA,P4mm,A3BC_tP5_99_ac_b_a:Br-Cs-In,5.0,A3BC_cP5_221_c_a_b:Br-Cs-In +mp-2649045,CsInBr3,-3.242024946,-1.5807907276000002,0.019845686,-0.016350638,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-In,5.0,A3BC_cP5_221_c_a_b:Br-Cs-In +mp-1112338,CsInBr3,-3.261870632,-1.6006364136,0.0,-0.036196324,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Br-Cs-In,10.0,A3BC_cF40_225_e_c_ab:Br-Cs-In +mp-1194175,CsHgBr3,-2.5708321087,-1.3991985633,0.0033698473,0.0033698473,GGA,C2/c,A3BC_mC60_15_c4f_df_ef:Br-Cs-Hg,30.0,A3BC_mC60_15_c4f_df_ef:Br-Cs-Hg +mp-27718,CsHgBr3,-2.5326791760000003,-1.3610456306,0.04152278,0.04152278,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Hg,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Hg +mp-1113300,Cs2InHgBr6,-2.925797477,-1.5093635951,0.002656623,0.002656623,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-In,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-In +mp-1202741,Cs3HgBr5,-2.91744269,-1.7224394532,0.0025702333,0.0025702333,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Br-Cs-Hg,36.0,A5B3C_oP36_62_3cd_cd_c:Br-Cs-Hg +mp-619546,Cs2HgBr4,-2.8000651029,-1.6134081844,0.0059333329,-0.0064119062,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Hg,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_7c4d_7c_c:Br-Cs-Hg, expected Cs7HgBr15 to be Cs2HgBr4" +mp-1183950,Cs2HgBr4,-2.8059984357000003,-1.6193415173,0.0,-0.012345239,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:Br-Cs-Hg,28.0,A4B2C_mP28_14_4e_2e_e:Br-Cs-Hg +mp-1192922,Cs2HgBr4,-2.803293605,-1.6166366866000002,0.0027048307,-0.0096404083,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:Br-Cs-Hg,28.0,A4B2C_mP28_14_4e_2e_e:Br-Cs-Hg +mp-1184720,HgBr3,-1.7741258688,-0.53343453,0.0989854979,0.0989854979,GGA,P6_3/mmc,A3B_hP8_194_h_c:Br-Hg,8.0,A3B_hP8_194_h_c:Br-Hg +mp-1095674,Cs2LiBr3,-3.4009338583,-2.0077984249,0.0147183067,0.0147183067,GGA,Cmcm,A3B2C_oC24_63_cf_2c_c:Br-Cs-Li,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_c2f_3c_c:Br-Cs-Li, expected Cs3LiBr5 to be Cs2LiBr3" +mp-606680,CsLi2Br3,-3.4986253467,-1.9365698308,0.0136153533,0.0136153533,GGA,Immm,A3BC2_oI12_71_af_b_e:Br-Cs-Li,6.0,A3BC2_oI12_71_af_b_e:Br-Cs-Li +mp-571409,Cs2Li3Br5,-3.482071356,-1.9537998566,0.010851637,0.010851637,GGA,C2/m,A5B2C3_mC20_12_a2i_i_di:Br-Cs-Li,10.0,"Invalid WP multiplicities - A5B2C3_mC20_12_a3i_i_di:Br-Cs-Li, expected Cs2Li3Br7 to be Cs2Li3Br5" +mp-1189357,Cs3LiBr4,-3.3490737806,-1.9981683678,0.0424312506,0.0424312506,GGA,C222_1,A4B3C_oC32_20_2bc_ac_a:Br-Cs-Li,16.0,A4B3C_oC32_20_2bc_ac_a:Br-Cs-Li +mp-580554,CsLi3Br4,-3.4862638269,-1.8819782904,0.0501240069,0.0501240069,GGA,Pmc2_1,A4BC3_oP16_26_2a2b_a_a2b:Br-Cs-Li,16.0,"Invalid WP multiplicities - A4BC3_oP16_26_3a4b_a_a4b:Br-Cs-Li, expected CsLi5Br7 to be CsLi3Br4" +mp-1147621,Li3InBr6,-3.4083726055,-1.6287103745,0.019537601,0.019537601,GGA,C2/c,A6BC3_mC40_15_3f_c_ef:Br-In-Li,20.0,"Invalid WP multiplicities - A6BC3_mC40_15_10f_a_2e3f:Br-In-Li, expected Li8InBr20 to be Li3InBr6" +mp-1120720,Li3InBr6,-3.3937036495,-1.6140414185,0.034206557,0.034206557,GGA,P-31c,A6BC3_hP20_163_i_c_af:Br-In-Li,20.0,"Invalid WP multiplicities - A6BC3_hP20_163_i_c_a2f:Br-In-Li, expected Li5InBr6 to be Li3InBr6" +mp-989405,Cs2LiInBr6,-3.332439543,-1.7554814109,0.0,-0.0191996515,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Li +mp-23057,CsLiBr2,-3.4593937412,-1.9817982666,0.0045526913,0.0045526913,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:Br-Cs-Li,8.0,A2BC_tP8_129_ac_c_c:Br-Cs-Li +mp-28573,WI3O,-5.3055564485,-0.8405728502,0.0298451094,0.0298451094,GGA+U,P4_2/mnm,A3BC_tP20_136_fi_f_g:I-O-W,20.0,A3BC_tP20_136_fi_f_g:I-O-W +mp-1207889,WI2,-5.7973135117,-0.495692535,0.0,-0.0795382617,GGA,Cmce,A2B_oC72_64_df2g_d2f:I-W,36.0,A2B_oC72_64_df2g_d2f:I-W +mp-1196387,W3I8,-5.0355203242,-0.4299456433,0.0529638409,0.0529638409,GGA,P2_1/c,A8B3_mP88_14_16e_6e:I-W,88.0,A8B3_mP88_14_16e_6e:I-W +mp-1204035,W15I47,-4.7200209269,-0.4680826705,0.0083321993,0.0083321993,GGA,C2,A47B15_mC124_5_a2b22c_a7c:I-W,62.0,A47B15_mC124_5_a2b22c_a7c:I-W +mp-1194880,W5I16,-4.6834388243,-0.4756048838,0.0,-0.0111102776,GGA,Pna2_1,A16B5_oP84_33_16a_5a:I-W,84.0,A16B5_oP84_33_16a_5a:I-W +mp-1196036,WI3,-4.7754437469,-0.4308864269,0.0472294133,0.0472294133,GGA,P4_12_12,A3B_tP96_92_9b_3b:I-W,96.0,A3B_tP96_92_9b_3b:I-W +mp-1195045,WI4,-4.1992201348,-0.4289010087,0.0,-0.0293929063,GGA,Pbcn,A4B_oP120_60_2c11d_3d:I-W,120.0,A4B_oP120_60_2c11d_3d:I-W +mp-18335,Ba2Ge2Se5,-4.78252212,-1.386570678,0.0,-0.0236201589,GGA,Pnma,A2B2C5_oP36_62_d_2c_3cd:Ba-Ge-Se,36.0,A2B2C5_oP36_62_d_2c_3cd:Ba-Ge-Se +mp-1096802,Ag2GeSe3,-3.8901797342,-0.4275340184,0.0009861333,0.0009861333,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ag-Ge-Se,12.0,A2BC3_oC24_36_b_a_ab:Ag-Ge-Se +mp-18474,Ag8GeSe6,-3.5553017767,-0.3380387935,0.0,-0.032312027,GGA,Pmn2_1,A8BC6_oP30_31_2a3b_a_4ab:Ag-Ge-Se,30.0,"Invalid WP multiplicities - A8BC6_oP30_31_2a3b_a_4a2b:Ag-Ge-Se, expected Ag8GeSe8 to be Ag8GeSe6" +mp-570662,Ba4Ag3Ge20,-4.2840673176,-0.2605812113,0.0,-0.0198625506,GGA,Pm-3n,A3B4C20_cP54_223_c_ad_ik:Ag-Ba-Ge,54.0,"Invalid WP multiplicities - A3B4C20_cP54_223_c_a2d_9i10k:Ag-Ba-Ge, expected Ba7(AgGe64)3 to be Ba4Ag3Ge20" +mp-569790,BaAg2GeSe4,-4.2250424112000005,-0.9511973222,0.0,-0.0282333807,GGA,I222,A2BCD4_oI16_23_f_a_b_k:Ag-Ba-Ge-Se,8.0,A2BCD4_oI16_23_f_a_b_k:Ag-Ba-Ge-Se +mp-13910,Ba(AgGe)2,-3.702359212,-0.3363306807,0.0,-0.0181767819,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Ba-Ge,5.0,A2BC2_tI10_139_d_a_e:Ag-Ba-Ge +mp-11902,Ba2GeSe4,-4.8296817336,-1.6233069271,0.0,-0.03962959,GGA,P2_1/m,A2BC4_mP14_11_2e_e_2ef:Ba-Ge-Se,14.0,A2BC4_mP14_11_2e_e_2ef:Ba-Ge-Se +mp-4308,PrAgAs2,-5.0058415737,-0.7729169317,0.0,-0.0273422842,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-As-Pr,16.0,AB2C_oP16_62_c_2c_c:Ag-As-Pr +mp-21436,GdCuSn,-7.9915563183,-0.5965893967,0.0,-0.1704965108,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Gd-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Gd-Sn +mp-1389664,Cu2SnSe4,-4.1927688557,-0.4511072692,0.0625745727,0.0625745727,GGA,I-42m,A2B4C_tI14_121_d_i_a:Cu-Se-Sn,7.0,A2B4C_tI14_121_d_i_a:Cu-Se-Sn +mp-1103757,Cu5Sn2Se7,-4.3030258821,-0.5182717819,0.0,-0.0250732908,GGA,C2,A5B7C2_mC28_5_a2c_b3c_c:Cu-Se-Sn,14.0,A5B7C2_mC28_5_a2c_b3c_c:Cu-Se-Sn +mp-1095106,Gd(CuSn)2,-6.423226497,-0.364490639,0.002787522,0.002787522,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-Gd-Sn,10.0,A2BC2_tP10_129_ac_c_bc:Cu-Gd-Sn +mp-18440,Rb7NbAs4,-3.3753532492,-0.4085601519,0.0,-0.0594065903,GGA,Pmn2_1,A4BC7_oP24_31_2ab_a_3a2b:As-Nb-Rb,24.0,"Invalid WP multiplicities - A4BC7_oP24_31_2ab_a_5a5b:As-Nb-Rb, expected Rb15NbAs4 to be Rb7NbAs4" +mp-18305,Rb3AsSe4,-3.7546209331,-1.0565751165,0.0,-0.0473661654,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-Rb-Se,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_cd_2c2d:As-Rb-Se, expected Rb3AsSe6 to be Rb3AsSe4" +mp-29501,Rb3AsSe16,-3.885320314,-0.7085551008000001,0.0,-0.1761236856,GGA,Fd-3,AB3C16_cF160_203_a_bc_eg:As-Rb-Se,40.0,"Invalid WP multiplicities - AB3C16_cF160_203_a_bc_e2g:As-Rb-Se, expected Rb3AsSe28 to be Rb3AsSe16" +mp-683902,Rb3Nb2AsSe11,-4.9364453576,-1.0388949484,0.0,-0.0298792266,GGA,Cc,AB2C3D11_mC68_9_a_2a_3a_11a:As-Nb-Rb-Se,34.0,"Invalid WP multiplicities - AB2C3D11_mC68_9_a_2a_6a_22a:As-Nb-Rb-Se, expected Rb6Nb2AsSe22 to be Rb3Nb2AsSe11" +mp-28562,RbAsSe2,-4.0120574397,-0.8541885815,0.0,-0.0382989954,GGA,C2/c,ABC2_mC64_15_2f_2ef_4f:As-Rb-Se,32.0,"Invalid WP multiplicities - ABC2_mC64_15_3f_2ef_6f:As-Rb-Se, expected Rb2(AsSe2)3 to be RbAsSe2" +mp-1103819,La(MnAl2)4,-5.8180215892,-0.3142773651,0.0123486608,0.0123486608,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-La-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-La-Mn +mp-1211667,La6Mn9Al5,-6.707201844,-0.1670988736,0.0386545971,0.0386545971,GGA,I4/mcm,A5B6C9_tI80_140_al_fl_dkl:Al-La-Mn,40.0,A5B6C9_tI80_140_al_fl_dkl:Al-La-Mn +mp-1224120,La12Mn3(AlSe7)4,-6.0959079983,-1.8493982998,0.0,-0.020541124,GGA,P1,A4B12C3D28_aP47_1_4a_12a_3a_28a:Al-La-Mn-Se,47.0,A4B12C3D28_aP47_1_4a_12a_3a_28a:Al-La-Mn-Se +mp-1223486,La9Al5Se21,-5.8204380654,-1.9185499475,0.0,-0.0302379529,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-La-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-La-Se, expected La24Al5Se51 to be La9Al5Se21" +mp-1097168,Al2PdPt,-3.452754945,1.2327867525,2.2110096494,2.2110096494,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Pd-Pt,4.0,A2BC_oI8_71_e_a_b:Al-Pd-Pt +mp-4785,CeAl3Pd2,-5.4089574,-0.8206940225,0.0,-0.0519957565,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Ce-Pd,6.0,A3BC2_hP6_191_g_a_c:Al-Ce-Pd +mp-19827,CeAlPt,-6.2679392942,-1.0180065258,0.0,-0.0701260198,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ce-Pt,12.0,ABC_oP12_62_c_c_c:Al-Ce-Pt +mp-1226826,Ce2Al2PdPt,-5.9809996042,-0.8796087542000001,0.0206792724,0.0206792724,GGA,Pmc2_1,A2B2CD_oP12_26_ab_ab_a_b:Al-Ce-Pd-Pt,12.0,A2B2CD_oP12_26_ab_ab_a_b:Al-Ce-Pd-Pt +mp-1226920,Ce2Al11Pd3,-4.8372396037000005,-0.5492922369000001,0.028425894,0.028425894,GGA,P4mm,A11B2C3_tP16_99_3a4c_2b_a2b:Al-Ce-Pd,16.0,"Invalid WP multiplicities - A11B2C3_tP16_99_3a8c_2b_a2b:Al-Ce-Pd, expected Ce2Al19Pd3 to be Ce2Al11Pd3" +mp-1079160,CeAl2Pt,-5.7394793113,-0.8656357775,0.0138694441,0.0138694441,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ce-Pt,8.0,A2BC_oC16_63_f_c_c:Al-Ce-Pt +mp-1078340,Ce(AlPd)2,-5.571701775,-0.814900888,0.0202494243,0.0202494243,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Al-Ce-Pd,10.0,A2BC2_tP10_129_ac_c_bc:Al-Ce-Pd +mp-570981,Ce2Al16Pt9,-5.6816002041,-0.99880052,0.0,-0.0263100148,GGA,Immm,A16B2C9_oI54_71_fg3n_e_afhn:Al-Ce-Pt,27.0,"Invalid WP multiplicities - A16B2C9_oI54_71_2fg10n_e_a2f2h2n:Al-Ce-Pt, expected Ce2Al46Pt17 to be Ce2Al16Pt9" +mp-1025445,CeAl2Pd5,-5.790831235,-0.8753750019000001,0.0,-0.0022624362,GGA,I4/mmm,A2BC5_tI16_139_e_a_bg:Al-Ce-Pd,8.0,A2BC5_tI16_139_e_a_bg:Al-Ce-Pd +mp-1213792,CeAl4Pd,-4.9486248217,-0.5994124408,0.0,-0.0183638024,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ce-Pd,12.0,A4BC_oC24_63_acf_c_c:Al-Ce-Pd +mp-1106138,CeAlPd2,-5.8386301994,-0.8290230481,0.0,-0.0072460103,GGA,Pnma,ABC2_oP16_62_c_c_d:Al-Ce-Pd,16.0,ABC2_oP16_62_c_c_d:Al-Ce-Pd +mp-1199697,Ce3(Al3Pt2)2,-5.9412921231,-0.975349375,0.0,-0.0028297359,GGA,Pnma,A6B3C4_oP52_62_6c_3c_4c:Al-Ce-Pt,52.0,A6B3C4_oP52_62_6c_3c_4c:Al-Ce-Pt +mp-1229297,Ce3Al3Pd2Pt,-5.88631515,-0.8344382728,0.026610254,0.026610254,GGA,Pm,A3B3C2D_mP36_6_6a6b_6a6b_2a6b_4a:Al-Ce-Pd-Pt,36.0,A3B3C2D_mP36_6_6a6b_6a6b_2a6b_4a:Al-Ce-Pd-Pt +mp-641571,CeAlPd,-5.7264247379,-0.7735758062,0.008993721,-0.074748009,GGA,Pmmn,ABC_oP42_59_b3e_a3e_a3e:Al-Ce-Pd,42.0,"Invalid WP multiplicities - ABC_oP42_59_b9e_2a8e_a8e:Al-Ce-Pd, expected Ce18Al19Pd17 to be CeAlPd" +mp-21158,CeAlPd,-5.7354184589,-0.7825695272000001,0.0,-0.08374173,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Ce-Pd,9.0,ABC_hP9_189_f_g_bc:Al-Ce-Pd +mp-1213784,CeAl6Pd,-4.663021415,-0.4647181719,0.0,-0.0043711651,GGA,P4/mmm,A6BC_tP8_123_hi_a_b:Al-Ce-Pd,8.0,A6BC_tP8_123_hi_a_b:Al-Ce-Pd +mp-1226749,CePdPt4,-6.5709965733,-0.6714125325,0.0089760333,0.0089760333,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Pd-Pt,6.0,ABC4_hP6_187_a_c_ek:Ce-Pd-Pt +mp-1226648,CeAl3Pt,-5.352577744,-0.7043877510000001,0.0883380313,0.0883380313,GGA,I-4m2,A3BC_tI10_119_af_c_b:Al-Ce-Pt,5.0,A3BC_tI10_119_af_c_b:Al-Ce-Pt +mp-1213829,Ce8AlPd24,-6.1360517215,-0.8170380091,0.017589315,0.017589315,GGA,Pm-3m,AB8C24_cP33_221_a_g_efh:Al-Ce-Pd,33.0,AB8C24_cP33_221_a_g_efh:Al-Ce-Pd +mp-1226474,CePd2Pt,-6.485600925,-0.8946044012000001,0.0,-0.0180418917,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ce-Pd-Pt,4.0,AB2C_tP4_123_a_e_c:Ce-Pd-Pt +mp-1226634,CeAl3Pd,-5.056521582,-0.586581891,0.0742968057,0.0742968057,GGA,I-4m2,A3BC_tI10_119_af_c_b:Al-Ce-Pd,5.0,A3BC_tI10_119_af_c_b:Al-Ce-Pd +mp-7225,CeAl2Pt3,-6.3096569283,-1.0367167992,0.0197764283,0.0197764283,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Al-Ce-Pt,6.0,A2BC3_hP6_191_c_a_g:Al-Ce-Pt +mp-1025102,CeAl3Pt2,-5.8583821217,-0.9730349075,0.0402836735,0.0402836735,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Ce-Pt,6.0,A3BC2_hP6_191_g_a_c:Al-Ce-Pt +mp-672344,CeAl5Pt3,-5.7755746289,-1.0117559328,0.0,-0.0102116977,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Al-Ce-Pt,36.0,"Invalid WP multiplicities - A5BC3_oP36_62_19c_c_5c:Al-Ce-Pt, expected CeAl19Pt5 to be CeAl5Pt3" +mp-1224972,FeCoAs4,-5.9864706367,-0.2840018658,0.0109528883,0.0109528883,GGA,P2/m,A4BC_mP6_10_mn_c_e:As-Co-Fe,6.0,A4BC_mP6_10_mn_a_e:As-Co-Fe +mp-1095148,TiFeAs,-7.68128238,-0.6730718361,0.0,-0.0596534567,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Fe-Ti,9.0,ABC_hP9_189_ad_g_f:As-Fe-Ti +mp-675526,FeCoAs,-6.8782782122,-0.1324590756,0.0677512011,0.0677512011,GGA,Pmm2,ABC_oP18_25_ac2f_ad2f_bc2e:As-Co-Fe,18.0,"Invalid WP multiplicities - ABC_oP18_25_ac3f_ad3f_bc2e:As-Co-Fe, expected Fe3(CoAs)4 to be FeCoAs" +mp-999002,TiFe2As,-7.70599222,-0.3323290096,0.1724748675,0.1724748675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:As-Fe-Ti,4.0,AB2C_cF16_225_a_c_b:As-Fe-Ti +mp-998974,TiFeCoAs,-7.403793365,-0.3705560083,0.1342478688,0.1342478688,GGA,F-43m,ABCD_cF16_216_a_c_d_b:As-Co-Fe-Ti,4.0,ABCD_cF16_216_a_c_d_b:As-Co-Fe-Ti +mp-1102440,EuSiPd,-7.7289257,-0.7748584867,0.0,-0.0238849257,GGA,P2_13,ABC_cP12_198_a_a_a:Eu-Pd-Si,12.0,ABC_cP12_198_a_a_a:Eu-Pd-Si +mp-1069707,EuSi3Ir,-7.801438646,-0.727160632,0.0,-0.114266132,GGA,I4mm,ABC3_tI10_107_a_a_ab:Eu-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Eu-Ir-Si +mp-21849,Eu(SiIr)2,-8.69971282,-0.942811576,0.0,-0.2920943218,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Ir-Si +mp-20115,Eu(SiPd)2,-7.089157388,-0.795677092,0.0,-0.075420993,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Pd-Si +mp-22765,Eu2Si3Pd,-7.7421792908,-0.7472060408000001,0.0,-0.1067518733,GGA,P6/mmm,A2BC3_hP12_191_af_d_m:Eu-Pd-Si,12.0,A2BC3_hP12_191_af_d_m:Eu-Pd-Si +mp-1225244,Eu2Si4IrPd3,-7.469422728,-0.810087195,0.022373518,0.022373518,GGA,P-4m2,A2BC3D4_tP10_115_g_a_bcd_2g:Eu-Ir-Pd-Si,10.0,"Invalid WP multiplicities - A2BC3D4_tP10_115_g_a_bcd_4g:Eu-Ir-Pd-Si, expected Eu2Si8IrPd3 to be Eu2Si4IrPd3" +mp-1218893,Sr(CaSi3)2,-4.56113716,-0.3108481163,0.0188068744,0.0188068744,GGA,C2/m,A2B6C_mC18_12_i_3i_a:Ca-Si-Sr,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_i_6i_a:Ca-Si-Sr, expected Sr(CaSi6)2 to be Sr(CaSi3)2" +mp-1221144,Na4SrCaSi2,-2.5143799,-0.0349010791,0.1986329705,0.1986329705,GGA,P-4m2,AB4C2D_tP8_115_a_bdg_g_c:Ca-Na-Si-Sr,8.0,AB4C2D_tP8_115_a_bdg_g_c:Ca-Na-Si-Sr +mp-1097085,Na2SrCa,-0.6304133150000001,0.9546226651,0.9546226651,0.9546226651,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Na-Sr,4.0,AB2C_oI8_71_a_e_b:Ca-Na-Sr +mp-1208721,Sr4CaSi3,-3.521993085,-0.3920521121,0.0038181422,0.0038181422,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Ca-Si-Sr,16.0,AB3C4_tI32_140_c_ah_l:Ca-Si-Sr +mp-1218327,SrCaSi4,-4.546318145,-0.3135905694,0.0132367158,0.0132367158,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Ca-Si-Sr,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Ca-Si-Sr, expected SrCaSi8 to be SrCaSi4" +mp-1218335,SrCaSi4,-4.5453563467,-0.3126287711,0.0141985142,0.0141985142,GGA,P-3m1,AB4C_hP6_164_a_2d_b:Ca-Si-Sr,6.0,"Invalid WP multiplicities - AB4C_hP6_164_a_3d_b:Ca-Si-Sr, expected SrCaSi6 to be SrCaSi4" +mp-1218362,SrCa3Si4,-4.1505064425,-0.4745607908,0.01045606,0.01045606,GGA,Pmm2,A3B4C_oP8_25_abc_abcd_d:Ca-Si-Sr,8.0,A3B4C_oP8_25_abc_abcd_d:Ca-Si-Sr +mp-1218331,Sr3CaSi8,-4.5120538958,-0.3056685225,0.0169172046,0.0169172046,GGA,R32,AB8C3_hR36_155_a_cf_e:Ca-Si-Sr,12.0,"Invalid WP multiplicities - AB8C3_hR36_155_a_2c2f_e:Ca-Si-Sr, expected Sr3CaSi16 to be Sr3CaSi8" +mp-1221375,Na2CaSi,-2.5724311625,-0.0534390383,0.198043763,0.198043763,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ca-Na-Si,4.0,AB2C_cF16_216_a_bc_d:Ca-Na-Si +mp-1097635,NaSr2Ca,-0.4385355875,1.2382424325,1.2382424325,1.2382424325,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Na-Sr,4.0,ABC2_oI8_71_a_b_e:Ca-Na-Sr +mp-1218424,Sr9CaSi6,-3.4880444219,-0.3778601006,0.0027645836,0.0027645836,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Ca-Si-Sr,16.0,AB6C9_tI32_87_a_eh_bi:Ca-Si-Sr +mp-1218334,Sr5Ca3Si4,-3.4131748667,-0.3993799478,0.0041348187,0.0041348187,GGA,Pm,A3B4C5_mP12_6_2ab_2a2b_2a3b:Ca-Si-Sr,12.0,A3B4C5_mP12_6_2ab_2a2b_2a3b:Ca-Si-Sr +mp-7084,SrCaSi,-3.4648954483,-0.4247583272,0.0,-0.0183649722,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Si-Sr,12.0,ABC_oP12_62_c_c_c:Ca-Si-Sr +mp-962057,SrCaSi,-2.7567759833,0.2833611378,0.708119465,0.6897544928,GGA,F-43m,ABC_cF12_216_a_b_c:Ca-Si-Sr,3.0,ABC_cF12_216_a_b_c:Ca-Si-Sr +mp-1209921,Nd2Si5Ni3,-6.1344003985,-0.7340708930000001,0.0178995902,0.0178995902,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Nd-Ni-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Nd-Ni-Si +mp-1190765,Nd3(SiNi3)2,-5.9776711955,-0.5380440648,0.0184751244,0.0184751244,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Nd-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Nd-Ni-Si +mp-1190833,NdSi2Ni9,-6.1022679162,-0.4656001152,0.0,-0.0392913879,GGA,I4_1/amd,AB9C2_tI48_141_b_ai_c:Nd-Ni-Si,24.0,AB9C2_tI48_141_b_ai_c:Nd-Ni-Si +mp-1210820,Nd6Si4Ni7,-5.9528324271,-0.6133551638,0.0,-0.0166763847,GGA,Pbcm,A6B7C4_oP68_57_cd2e_d3e_2e:Nd-Ni-Si,68.0,A6B7C4_oP68_57_cd2e_d3e_2e:Nd-Ni-Si +mp-1221118,Nd15Si7Ni2,-5.527600335,-0.4834457076,0.009666402,0.009666402,GGA,Fmm2,A15B2C7_oF192_42_6cd4e_2ac_bcd2e:Nd-Ni-Si,48.0,"Invalid WP multiplicities - A15B2C7_oF192_42_12c2d14e_2a2c_2bc2d4e:Nd-Ni-Si, expected Nd42Si13Ni3 to be Nd15Si7Ni2" +mp-1220236,Nd3Si3Ni,-5.8916985429,-0.6973366761,0.02067424,0.02067424,GGA,Imm2,A3BC3_oI14_44_a2b_a_a2b:Nd-Ni-Si,7.0,A3BC3_oI14_44_a2b_a_a2b:Nd-Ni-Si +mp-1070857,NdSiNi4,-6.1000449233,-0.5477095596,0.0,-0.0522730685,GGA,Cmmm,AB4C_oC12_65_a_fg_c:Nd-Ni-Si,6.0,AB4C_oC12_65_a_fg_c:Nd-Ni-Si +mp-3734,NdSi2Ni,-6.1736440137,-0.8239139706,0.0,-0.0910645821,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Nd-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Nd-Ni-Si +mp-1220887,Nd5Si10NiRu3,-6.5540783982,-0.6752751475000001,0.0939187476,0.0939187476,GGA,Pm,A5BC3D10_mP38_6_5a5b_2a_a5b_10a10b:Nd-Ni-Ru-Si,38.0,A5BC3D10_mP38_6_5a5b_2a_a5b_10a10b:Nd-Ni-Ru-Si +mp-1220745,Nd6Si3Ni2,-5.6096438809,-0.4782700586,0.0479202197,0.0479202197,GGA,Pm,A6B2C3_mP22_6_6a6b_2ac_2a4b:Nd-Ni-Si,22.0,A6B2C3_mP22_6_6a6b_2ac_2a4b:Nd-Ni-Si +mp-1199358,Nd3Si4Ni29,-5.8807657399,-0.2243857916,0.131977816,0.131977816,GGA,P4/nmm,A3B29C4_tP72_129_ae_c3i2jk_i:Nd-Ni-Si,72.0,A3B29C4_tP72_129_ae_c3i2jk_i:Nd-Ni-Si +mp-1220388,Nd2Si3Ni,-5.9406227833,-0.6752251775,0.1162980917,0.1162980917,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Nd-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Nd-Ni-Si +mp-4007,Nd(SiNi)2,-6.21948433,-0.7836729595,0.0,-0.0618226369,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Ni-Si +mp-1220082,NdNiRu,-6.8614509017,-0.2538886842,0.0,-0.0176296733,GGA,Imma,ABC_oI12_74_e_a_c:Nd-Ni-Ru,6.0,ABC_oI12_74_e_a_c:Nd-Ni-Ru +mp-1206381,NdSiNi,-6.0309036967,-0.7063696492,0.0,-0.020787268,GGA,I4_1md,ABC_tI12_109_a_a_a:Nd-Ni-Si,6.0,ABC_tI12_109_a_a_a:Nd-Ni-Si +mp-5934,Yb(CuSi)2,-4.558147784,-0.440416248,0.0,-0.1385401822,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Yb,,A2B2C_tI10_139_d_e_a:Cu-Si-Yb +mp-1205488,Yb3(CuSi)4,-4.2813127245,-0.39795603,0.0359564291,0.0359564291,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Yb,,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Yb +mp-1207653,Yb3Cu11Si4,-4.2246225328,-0.2573241811,0.0630236678,0.0630236678,GGA,P6_3/mmc,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Yb,,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Yb +mp-1206961,Yb(ZnSi)2,-3.293449426,-0.311503114,0.0,-0.0432819644,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Si-Yb-Zn,,A2BC2_tI10_139_e_a_d:Si-Yb-Zn +mp-1215495,YbZnCuSi2,-3.949033978,-0.399195054,0.0,-0.023235373,GGA,I-4m2,AB2CD_tI10_119_a_f_c_b:Cu-Si-Yb-Zn,,AB2CD_tI10_119_a_f_c_b:Cu-Si-Yb-Zn +mp-8124,YbCuSi,-4.105627495,-0.4175831683,0.0109094667,0.0109094667,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Yb,,ABC_hP6_194_c_d_a:Cu-Si-Yb +mp-3513,Dy2Al3Si2,-5.0002587143,-0.5286962529,0.0,-0.0164305929,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Dy-Si,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Dy-Si, expected Dy2Al5Si2 to be Dy2Al3Si2" +mp-1080061,Dy(SiPt)2,-6.605885686,-1.085947778,0.0,-0.1192930161,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Dy-Pt-Si,10.0,AB2C2_tP10_129_c_ac_bc:Dy-Pt-Si +mp-3148,Dy(SiPt)2,-6.546902414,-1.026964506,0.058983272,-0.0603097441,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Pt-Si +mp-1225281,Dy(SiPt)2,-6.500934076,-0.980996168,0.10495161,-0.0143414061,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:Dy-Pt-Si +mp-1188085,DySiPt2,-6.7072648419,-1.1636719644,0.0,-0.0687248926,GGA,Pnma,AB2C_oP16_62_c_d_c:Dy-Pt-Si,16.0,AB2C_oP16_62_c_d_c:Dy-Pt-Si +mp-20571,DySiPt,-6.5598481608,-1.1921020975,0.0,-0.1277729867,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Pt-Si,12.0,ABC_oP12_62_c_c_c:Dy-Pt-Si +mp-1103319,DyAlPt,-5.95965843,-1.1518264333,0.0,-0.1171939453,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Dy-Pt,12.0,ABC_oP12_62_c_c_c:Al-Dy-Pt +mp-1200984,Dy3Si11Pt23,-6.6273760208,-0.8669726368,0.0,-0.0124141232,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Dy-Pt-Si,74.0,A3B23C11_cF296_225_d_e2fk_e2f:Dy-Pt-Si +mp-1212875,Dy4(Al8Pt3)3,-5.3147233811,-0.9103675119,0.0,-0.1043955353,GGA,P-1,A24B4C9_aP37_2_12i_2i_a4i:Al-Dy-Pt,37.0,A24B4C9_aP37_2_12i_2i_a4i:Al-Dy-Pt +mp-11630,Dy2Al6Si4Pt,-5.0919001946,-0.5180975715,0.0,-0.0087837738,GGA,R-3m,A6B2CD4_hR39_166_3c_c_a_2c:Al-Dy-Pt-Si,13.0,"Invalid WP multiplicities - A6B2CD4_hR39_166_4c_c_a_3c:Al-Dy-Pt-Si, expected Dy2Al8Si6Pt to be Dy2Al6Si4Pt" +mp-1213130,Dy12Al7Si,-4.720426499,-0.374136953,0.009065744,0.009065744,GGA,I4/mcm,A7B12C_tI80_140_chl_ghm_a:Al-Dy-Si,40.0,A7B12C_tI80_140_chl_ghm_a:Al-Dy-Si +mp-7121,Dy(AlSi)2,-4.93515991,-0.345444998,0.024642379,0.024642379,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Dy-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Dy-Si +mp-1228017,AlSiPt6,-6.2125935575,-0.5128818350000001,0.1013227166,0.1013227166,GGA,Cmmm,AB6C_oC16_65_a_ehj_b:Al-Pt-Si,8.0,AB6C_oC16_65_a_ehj_b:Al-Pt-Si +mp-1206186,Dy2(SiPt)3,-5.0583122875,0.4045536788,1.5303093266,1.5303093266,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Dy-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Dy-Pt-Si +mp-1206330,DyAlSi,-5.1902035033,-0.5976432700000001,0.0,-0.0102833383,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Dy-Si,6.0,ABC_oC12_63_a_c_c:Al-Dy-Si +mp-1225273,DyAlSi,-5.1669628133,-0.57440258,0.02324069,0.0129573517,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Dy-Si,6.0,ABC_tI12_109_a_a_a:Al-Dy-Si +mp-542550,Cs2Si2Se5,-4.4691468225,-1.1223692456,0.0,-0.091484181,GGA,C2/c,A2B5C2_mC72_15_2f_2e4f_2f:Cs-Se-Si,36.0,A2B5C2_mC72_15_2f_2e4f_2f:Cs-Se-Si +mp-637251,Cs2SiSe4,-4.1760966714,-1.1475582879,0.0,-0.0319277177,GGA,C2/m,A2B4C_mC28_12_2i_2ij_i:Cs-Se-Si,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_4i_3i3j_i:Cs-Se-Si, expected Cs4SiSe9 to be Cs2SiSe4" +mp-29834,Cs4SiSe4,-3.8506033531,-1.2960951943,0.0,-0.1322065501,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Cs-Se-Si,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_ei_2e3i_a2c:Cs-Se-Si, expected Cs16Si7Se44 to be Cs4SiSe4" +mp-573969,CsCeSiSe4,-5.2605189243,-1.5123110003,0.0,-0.0399714599,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Ce-Cs-Se-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_10a_a:Ce-Cs-Se-Si, expected CsCeSiSe10 to be CsCeSiSe4" +mp-1112660,Cs2NaCeBr6,-4.03181195,-2.1953530327,0.0,-0.0498183585,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-Na +mp-567329,CrHg6As4Br7,-2.8909107197,-0.6140884092000001,0.0,-0.0033226306,GGA,Pa-3,A4B7CD6_cP72_205_2c_ad_b_d:As-Br-Cr-Hg,72.0,"Invalid WP multiplicities - A4B7CD6_cP72_205_6c_4a4d_b_d:As-Br-Cr-Hg, expected CrHg6(As3Br7)4 to be CrHg6As4Br7" +mp-1113316,Na2LiLuCl6,-4.273301124,-2.2566867306,0.1132082506,0.1132082506,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Lu-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Lu-Na +mp-23015,Cs3Mo2Br9,-4.2765550471000005,-1.5369291681,0.01106978,0.01106978,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Br-Cs-Mo,28.0,A9B3C2_hP28_194_hk_bf_f:Br-Cs-Mo +mp-1185187,Li3Mo,-3.3947289225,0.7483757550000001,0.7483757550000001,0.7483757550000001,GGA,Pm-3m,A3B_cP4_221_c_a:Li-Mo,4.0,A3B_cP4_221_c_a:Li-Mo +mp-1207229,Cs2MoBr6,-4.0145246311,-1.5751218718,0.0,-0.0586314642,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Mo,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Mo +mp-1111847,Cs2LiMoBr6,-4.007468544,-1.6211137739,0.047541045,0.047541045,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Mo +mp-1219111,SmGd(MnNi4)2,-7.1839425692,-0.2372898692,0.5689694754,0.5689694754,GGA,Pmm2,AB2C8D_oP12_25_a_ab_abcd2h_b:Gd-Mn-Ni-Sm,12.0,"Invalid WP multiplicities - AB2C8D_oP12_25_a_ab_abcd4h_b:Gd-Mn-Ni-Sm, expected SmGd(MnNi6)2 to be SmGd(MnNi4)2" +mp-1219013,SmMn2Ni3,-6.8998624333,-0.1693579735,0.953013819,0.953013819,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Mn-Ni-Sm,6.0,A2B3C_hP6_191_c_g_a:Mn-Ni-Sm +mp-1103904,Sm(Mn2Ni)4,-7.7948728054,-0.0152377906,0.5950452639,0.5950452639,GGA,I4/mmm,A8B4C_tI26_139_fj_i_a:Mn-Ni-Sm,13.0,A8B4C_tI26_139_fj_i_a:Mn-Ni-Sm +mp-28610,CsAgCl3,-3.303661532,-1.4489478609,0.0,-0.173269756,GGA,I4/mmm,AB3C_tI20_139_ab_eh_d:Ag-Cl-Cs,10.0,AB3C_tI20_139_ab_eh_d:Ag-Cl-Cs +mp-1112373,Cs3AsCl6,-3.664885464,-1.8212309159,0.050264332,0.050264332,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Cl-Cs,10.0,AB6C3_cF40_225_a_e_bc:As-Cl-Cs +mp-1190886,Cs2AgCl3,-3.4792053712,-1.7843769167,0.0,-0.0137429396,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-Cl-Cs,24.0,AB3C2_oP24_62_c_3c_2c:Ag-Cl-Cs +mp-1113543,Cs2AgAsCl6,-3.603151581,-1.5657816698,0.008311963,0.008311963,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Cs +mp-542772,CsAgCl2,-3.375324925,-1.5190670011,0.0094089025,0.0026862897,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ag-Cl-Cs,8.0,AB2C_oC16_63_c_2c_c:Ag-Cl-Cs +mp-567558,CsAgCl2,-3.3847338275,-1.5284759036,0.0,-0.0067226128,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ag-Cl-Cs,8.0,AB2C_tP8_129_c_ac_c:Ag-Cl-Cs +mp-1104872,Cs3As2Cl9,-3.7517297636,-1.7059244874,0.0012329564,-0.0666372075,GGA,P321,A2B9C3_hP14_150_d_eg_ad:As-Cl-Cs,14.0,A2B9C3_hP14_150_d_eg_ad:As-Cl-Cs +mp-1541714,Cs3As2Cl9,-3.75296272,-1.7071574438,0.0,-0.0678701639,GGA,P-3m1,A2B9C3_hP14_164_d_ei_ad:As-Cl-Cs,14.0,A2B9C3_hP14_164_d_ei_ad:As-Cl-Cs +mp-1206187,Rb2LiRhCl6,-4.033595867,-1.8010439828,0.0,-0.043447246,GGA,P-3m1,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-Rh,10.0,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-Rh +mp-1209452,Rb2TmCl5,-4.5036793703,-2.5437310118000003,0.0,-0.003247878,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Rb-Tm,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Rb-Tm +mp-1113450,Rb2TmAuCl6,-4.123621376,-2.0434208232,0.1002113149,0.1002113149,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tm +mp-1209443,Rb3TmCl6,-4.3582773433,-2.5074115832,0.0,-0.023452271,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Rb-Tm,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Rb-Tm +mp-1110691,Rb3TmCl6,-4.30541491,-2.4545491499,0.0528624333,0.0294101623,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tm +mp-567714,Rb2AgBr3,-3.1959911538,-1.6205396307000002,0.0,-0.0147541088,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-Br-Rb,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_10c_5c:Ag-Br-Rb, expected Rb5AgBr10 to be Rb2AgBr3" +mp-998226,RbAgBr3,-2.955828678,-1.2613936648,0.0,-0.1028368425,GGA,P4mm,AB3C_tP5_99_a_ac_b:Ag-Br-Rb,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ag-Br-Rb, expected RbAgBr5 to be RbAgBr3" +mp-1111731,Rb2GaAgBr6,-3.162571743,-1.4485827279,0.0855675936,0.0855675936,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-Rb +mp-31507,Sb2Te4Pb,-3.9498530657,-0.4435854767,0.0063410371,0.0063410371,GGA,R-3m,AB2C4_hR21_166_a_c_2c:Pb-Sb-Te,7.0,"Invalid WP multiplicities - AB2C4_hR21_166_a_c_3c:Pb-Sb-Te, expected Sb2Te6Pb to be Sb2Te4Pb" +mp-1214902,Ag3SbTe4,-3.34744164,-0.1974550371,0.0891371686,0.0891371686,GGA,Pm-3m,A3BC4_cP8_221_c_b_ad:Ag-Sb-Te,8.0,A3BC4_cP8_221_c_b_ad:Ag-Sb-Te +mp-1229036,AgSbTe3Pb,-3.7207140083,-0.3700270094,0.0458508675,0.0458508675,GGA,Imm2,ABCD3_oI12_44_a_a_a_3b:Ag-Pb-Sb-Te,6.0,ABCD3_oI12_44_a_a_a_3b:Ag-Pb-Sb-Te +mp-1229237,AgSb(Te8Pb7)2,-3.9735721697,-0.560087466,0.0189934723,0.0189934723,GGA,I4/mmm,AB14CD16_tI64_139_a_cdem_b_2efgh:Ag-Pb-Sb-Te,32.0,"Invalid WP multiplicities - AB14CD16_tI64_139_a_2c2dem_b_3e4fg4h:Ag-Pb-Sb-Te, expected AgSb(Te7Pb3)6 to be AgSb(Te8Pb7)2" +mp-1229055,AgSbTe2,-3.21652635,0.0955159075,0.4109611312,0.4109611312,GGA,P2/m,ABC2_mP4_10_a_c_dg:Ag-Sb-Te,4.0,ABC2_mP4_10_a_c_dg:Ag-Sb-Te +mp-12359,AgSbTe2,-3.566260335,-0.2542180775,0.0612271462,0.0612271462,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Sb-Te,4.0,ABC2_tP4_123_a_d_bc:Ag-Sb-Te +mp-1229003,AgSbTe2,-3.305450025,0.0065922325,0.3220374562,0.3220374562,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Ag-Sb-Te,4.0,ABC2_tP4_123_a_b_h:Ag-Sb-Te +mp-1229025,AgSbTe2,-3.4623361887,-0.1502939312,0.1651512925,0.1651512925,GGA,P4/mmm,ABC2_tP8_123_e_ab_cdf:Ag-Sb-Te,8.0,"Invalid WP multiplicities - ABC2_tP8_123_e_ab_cd2f:Ag-Sb-Te, expected AgSbTe3 to be AgSbTe2" +mp-1247932,AgSbTe2,-2.6679797154,0.6440625421,0.9595077659,0.9595077659,GGA,P4/mmm,ABC2_tP28_123_ag2h_d2gh_bc3g3h:Ag-Sb-Te,28.0,ABC2_oC56_65_a2k4l_c4k2l_bd6k6l:Ag-Sb-Te +mp-1247876,AgSbTe2,-3.4747099081,-0.1626676506,0.1527775731,0.1527775731,GGA,P4_2/mmc,ABC2_tP16_131_ce_ad_bfi:Ag-Sb-Te,16.0,"Invalid WP multiplicities - ABC2_tP16_131_2c2e_ad_2b2f2i:Ag-Sb-Te, expected Ag2SbTe4 to be AgSbTe2" +mp-12360,AgSbTe2,-3.6060748575,-0.2940326,0.0214126237,0.0214126237,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Sb-Te,4.0,ABC2_hR12_166_a_b_c:Ag-Sb-Te +mp-1215084,Ag3SbTe6,-2.296917282,0.851733179,1.1605053232,1.1605053232,GGA,Cmmm,A3BC6_oC20_65_de_a_kp:Ag-Sb-Te,10.0,A3BC6_oC20_65_de_a_kp:Ag-Sb-Te +mp-1209139,Sb4Te7Pb,-3.9331952842,-0.4138791772,0.0082445583,0.0082445583,GGA,P-3m1,AB4C7_hP12_164_a_2d_bc2d:Pb-Sb-Te,12.0,AB4C7_hP12_164_a_2d_bc2d:Pb-Sb-Te +mp-1111523,Na2TmAgCl6,-4.055841053,-1.9513748556,0.2134310563,0.2134310563,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Tm +mp-1210291,RbEu2Cl7,-5.784233954,-2.3408045248,0.0,-0.016956582,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:Cl-Eu-Rb,40.0,A7B2C_oP40_62_c3d_2c_c:Cl-Eu-Rb +mp-1206801,RbEuCl3,-5.910670828,-2.5540416575,0.0336697768,0.0336697768,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Eu-Rb,5.0,A3BC_cP5_221_c_b_a:Cl-Eu-Rb +mp-1209463,RbEu2Cl5,-6.5155737859,-2.6734211644,0.0,-0.0280176859,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-Eu-Rb,32.0,A5B2C_mP32_14_5e_2e_e:Cl-Eu-Rb +mp-1112519,Cs2RbEuCl6,-4.720875533,-2.3089194753,0.4495520758,0.4495520758,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Rb +mp-1114107,Rb3EuCl6,-4.68098111,-2.2519987122,0.065754684,0.065754684,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Eu-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Eu-Rb +mp-1210383,Rb3EuCl6,-4.745531488,-2.3165490902,0.001204306,0.001204306,GGA,C2/c,A6BC3_mC80_15_6f_ce_3f:Cl-Eu-Rb,40.0,A6BC3_mC80_15_6f_ae_3f:Cl-Eu-Rb +mp-1206721,Cs3EuCl6,-4.693885542,-2.2904426544,0.4700444188,0.4700444188,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Eu,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Eu +mp-1213256,CsEuCl3,-7.0566168775,-3.7170140471,0.0,-1.1476857175,GGA,Pnma,A3BC_oP20_62_cd_c_a:Cl-Cs-Eu,20.0,A3BC_oP20_62_cd_c_a:Cl-Cs-Eu +mp-1068377,CsEuCl3,-5.944024254,-2.6044214236,1.1125926235,-0.035093094,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Eu,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Eu +mp-1209650,Rb2EuCl5,-5.0185677725,-2.3359736169,0.0,-0.013360668,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Eu-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Eu-Rb +mp-1214346,Cs2EuCl5,-5.0104021309,-2.3490909004,0.53778041,0.53778041,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Eu,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Eu +mp-1209080,RbTaCl6,-4.9989304775,-2.0077390197,0.0,-0.05450024,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Rb-Ta,16.0,A6BC_mC32_15_3f_e_a:Cl-Rb-Ta +mp-28179,NaTaCl6,-4.9658676078,-1.9319272474,0.0,-0.0125024516,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:Cl-Na-Ta,32.0,A6BC_mP32_14_6e_e_e:Cl-Na-Ta +mp-1110677,Rb2NaTaCl6,-4.545429392,-1.9221702892,0.1117655237,0.1117655237,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Ta +mp-12495,CsTbCdTe3,-3.9462040158,-1.2991080305,0.0,-0.0185409157,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Tb-Te,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Cd-Cs-Tb-Te, expected CsTbCdTe5 to be CsTbCdTe3" +mp-1111445,Na3GaCl6,-3.559503994,-1.7508148077,0.169431546,0.169431546,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Ga-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-Ga-Na +mp-1111121,Na2GaAgCl6,-3.438501177,-1.4788089197,0.166290601,0.166290601,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-Na +mp-1190761,NaGaCl4,-3.7514608633,-1.7939995373,0.0,-0.0455429608,GGA,P2_12_12_1,A4BC_oP24_19_4a_a_a:Cl-Ga-Na,24.0,A4BC_oP24_19_4a_a_a:Cl-Ga-Na +mp-541774,BiAuBr6,-2.9836223200000003,-0.9295546812,0.0041591319,0.0041591319,GGA,P-1,ABC6_aP32_2_bei_2i_12i:Au-Bi-Br,32.0,ABC6_aP32_2_bei_2i_12i:Au-Bi-Br +mp-684015,Bi9AuBr9,-3.4828230436,-0.7556894046,0.03724018,0.03724018,GGA,P2_1/c,AB9C9_mP76_14_e_9e_9e:Au-Bi-Br,76.0,"Invalid WP multiplicities - AB9C9_mP76_14_e_35e_33e:Au-Bi-Br, expected Bi35AuBr33 to be Bi9AuBr9" +mp-1112930,Cs2BiAuBr6,-3.238507907,-1.4161733216,0.0691315197,0.0691315197,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-Cs +mp-21033,La(GePd)2,-5.765667624,-0.857302337,0.0,-0.0660221187,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Pd,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Pd +mp-861916,La2IrPd,-6.709907825,-0.737325275,0.0319673712,0.0319673712,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-La-Pd,4.0,AB2C_cF16_225_a_c_b:Ir-La-Pd +mp-1222934,LaGePd,-5.79512853,-0.8821562733,0.0106210282,0.0106210282,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-La-Pd,6.0,ABC_mC12_12_i_i_i:Ge-La-Pd +mp-22729,La3(GePd)4,-5.8222000491,-0.9113218695,0.0,-0.04046284,GGA,Immm,A4B3C4_oI22_71_ef_af_ef:Ge-La-Pd,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_ef_af_e2f:Ge-La-Pd, expected La3(Ge2Pd3)2 to be La3(GePd)4" +mp-1223521,La2Ge4IrPd3,-6.12304893,-0.8488284060000001,0.0,-0.0031917745,GGA,P4mm,A4BC2D3_tP10_99_abc_a_ab_bc:Ge-Ir-La-Pd,10.0,A4BC2D3_tP10_99_abc_a_ab_bc:Ge-Ir-La-Pd +mp-1223140,LaCe(CoNi)5,-6.4309459833,-0.1549985971,0.0644210163,0.0644210163,GGA,Pmmm,AB5CD5_oP12_47_a_fij_d_gx:Ce-Co-La-Ni,12.0,"Invalid WP multiplicities - AB5CD5_oP12_47_a_f2ij_d_gx:Ce-Co-La-Ni, expected LaCeCo7Ni5 to be LaCe(CoNi)5" +mp-1222949,LaCoNi4,-6.0786327267,-0.21782079,0.0337519883,0.0337519883,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Co-La-Ni,6.0,ABC4_oC12_65_a_c_eh:Co-La-Ni +mp-1223000,LaCeCo10,-6.8966513250000006,-0.0672951408,0.0267233183,0.0267233183,GGA,Pmmm,AB10C_oP12_47_a_fgijx_d:Ce-Co-La,12.0,"Invalid WP multiplicities - AB10C_oP12_47_a_fg2ijx_d:Ce-Co-La, expected LaCeCo12 to be LaCeCo10" +mp-1222937,LaCo2Ni3,-6.2131562683,-0.1309808125,0.0859717058,0.0859717058,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Co-La-Ni,6.0,A2BC3_hP6_191_c_a_g:Co-La-Ni +mp-1223428,LaCeNi10,-6.0368969975,-0.3143584092,0.0,-0.001112535,GGA,Pmmm,ABC10_oP12_47_a_d_fgijx:Ce-La-Ni,12.0,"Invalid WP multiplicities - ABC10_oP12_47_a_d_fg2ijx:Ce-La-Ni, expected LaCeNi12 to be LaCeNi10" +mp-1223263,La2(CoNi)5,-6.309247325,-0.1163901096,0.0810107033,0.0810107033,GGA,Pmmm,A5B2C5_oP12_47_eij_bc_hx:Co-La-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oP12_47_e2ij_bc_hx:Co-La-Ni, expected La2Co7Ni5 to be La2(CoNi)5" +mp-1211224,LaCo3Ni2,-6.4153589383,-0.1118199633,0.0636250046,0.0636250046,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Co-La-Ni,6.0,A3BC2_hP6_191_g_a_c:Co-La-Ni +mp-1219857,Rb2InGe4As7,-4.1731462121,-0.1860967743,0.0410967514,0.0410967514,GGA,Cm,A7B4CD2_mC28_8_7a_4a_a_2a:As-Ge-In-Rb,14.0,A7B4CD2_mC28_8_7a_4a_a_2a:As-Ge-In-Rb +mp-1192510,Rb(GeAs)3,-4.3205119346,-0.2023729557,0.0,-0.0206239016,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:As-Ge-Rb,28.0,A3B3C_oP28_62_3c_3c_c:As-Ge-Rb +mp-1084813,NdCuGe2,-5.1102790875,-0.5819266344,0.0030872541,0.0030872541,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Cu-Ge-Nd,8.0,AB2C_oC16_63_c_2c_c:Cu-Ge-Nd +mp-1222088,Mn2Cu3Ge,-5.7939665092,0.0801465657,0.1411556633,0.1411556633,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cu-Ge-Mn,12.0,A3BC2_hP12_194_h_a_f:Cu-Ge-Mn +mp-1220666,Nd2Mn2CuGe3,-6.0755247575,-0.346947797,0.1851694711,0.1851694711,GGA,Amm2,AB3C2D2_oC16_38_a_a2b_ab_ab:Cu-Ge-Mn-Nd,,AB3C2D2_oC16_38_a_a2b_ab_ab:Cu-Ge-Mn-Nd +mp-1092251,Nd2CuGe6,-5.0367129867,-0.4396386906,0.0421848199,0.0421848199,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Nd,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Nd +mp-1222132,Mn10CuGe5,-7.470760806899999,-0.0436046278,0.0707874303,0.0707874303,GGA,I422,AB5C10_tI32_97_a_bj_ck:Cu-Ge-Mn,16.0,AB5C10_tI32_97_a_bj_ck:Cu-Ge-Mn +mp-505292,Nd3(CuGe)4,-5.0741960491,-0.6020705584,0.0,-0.02087821,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Nd,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_e2g_b2f:Cu-Ge-Nd, expected Nd5(Cu2Ge3)2 to be Nd3(CuGe)4" +mp-1065918,Mn2CuGe,-6.7414244375,0.0201418398,0.1116554863,0.1116554863,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cu-Ge-Mn,4.0,ABC2_cF16_216_a_c_bd:Cu-Ge-Mn +mp-21420,Nd(MnGe)2,-6.935078738,-0.4674319927,0.0,-0.0348458967,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Nd,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Nd +mp-20842,NdMnGe,-6.6446707317,-0.4602738718,0.1053088857,0.1053088857,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Mn-Nd,6.0,ABC_tP6_129_c_a_c:Ge-Mn-Nd +mp-1220173,NdCuGe,-5.11502078,-0.6182267942,0.0,-0.0236184785,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Nd,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Nd +mp-1104674,Nd(MnGe)6,-7.0105902108,-0.2814820327,0.0,-0.0261557023,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Nd,13.0,A6B6C_hP13_191_cde_i_a:Ge-Mn-Nd +mp-3177,Nd(CuGe)2,-4.97927431,-0.5367510135,0.0,-0.071209706,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Nd,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Nd +mp-1113302,Cs2GaHgBr6,-2.915239262,-1.4711641508,0.0976161015,0.0976161015,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Hg,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Hg +mp-1112911,Cs2HgAsBr6,-2.964866464,-1.3576891146,0.0227841002,0.0227841002,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Hg +mp-1112376,Cs3AsBr6,-3.280708456,-1.6143589059,0.0129512905,0.0129512905,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Br-Cs,10.0,AB6C3_cF40_225_a_e_bc:As-Br-Cs +mp-1213115,CsYbMnSe3,-5.0869954167,-1.4062020205,0.0061047743,0.0061047743,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Yb,,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Yb +mp-3704,Cs2Mn3Se4,-5.7465257561000005,-0.9398039193,0.0,-0.0524632822,GGA,Ibam,A2B3C4_oI36_72_j_af_k:Cs-Mn-Se,18.0,"Invalid WP multiplicities - A2B3C4_oI36_72_j_a2f_k:Cs-Mn-Se, expected Cs2Mn5Se4 to be Cs2Mn3Se4" +mp-12325,CsYbSe2,-3.8553261725,-1.4986177707,0.2331251738,0.2331251738,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-Se-Yb,,AB2C_hP8_194_c_f_a:Cs-Se-Yb +mp-19719,Yb2MnSe4,-5.0939770771,-1.3475659682,0.2421406554,0.2421406554,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-Se-Yb,,AB4C2_cF56_227_a_e_d:Mn-Se-Yb +mp-573947,Cs2MnSe2,-4.711528741,-1.1226001427,0.0,-0.076554574,GGA,Ibam,A2BC2_oI20_72_j_a_j:Cs-Mn-Se,10.0,A2BC2_oI20_72_j_a_j:Cs-Mn-Se +mp-1207359,CsMnSe2,-5.173831755,-0.9115216001,0.046053704,0.046053704,GGA,I-4m2,ABC2_tI8_119_a_c_e:Cs-Mn-Se,4.0,ABC2_tI8_119_a_c_e:Cs-Mn-Se +mp-568594,CsYb3Se4,-4.3384070369,-1.9011728965,0.1255834637,0.1255834637,GGA,P6_3/mmc,AB4C3_hP16_194_c_ef_af:Cs-Se-Yb,,"Invalid WP multiplicities - AB4C3_hP16_194_c_4e3f_af:Cs-Se-Yb, expected CsYb3Se14 to be CsYb3Se4" +mp-21223,YbIn2Ni,-3.6289194425,-0.4231413375,0.0,-0.026301206,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Ni-Yb,,A2BC_oC16_63_f_c_c:In-Ni-Yb +mp-1190414,Yb7In(NiGe3)4,-4.4376432196,-0.599067275,0.0050112118,0.0050112118,GGA,P4/m,A12BC4D7_tP24_83_2jk_a_j_cfk:Ge-In-Ni-Yb,,A12BC4D7_tP24_83_2jk_a_j_cfk:Ge-In-Ni-Yb +mp-574235,Yb(NiGe)2,-5.094150332,-0.6249628620000001,0.0,-0.0803547078,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Yb,,A2B2C_tI10_139_e_d_a:Ge-Ni-Yb +mp-1198492,Yb5(Ni2Ge5)2,-4.6541343071,-0.5989307982000001,0.0068571108,0.0068571108,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ni-Yb,,A10B4C5_tP38_127_gij_i_a2h:Ge-Ni-Yb +mp-20591,Yb2InGe2,-3.611930504,-0.596539304,0.0,-0.041023555,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Yb,,A2BC2_tP10_127_g_a_h:Ge-In-Yb +mp-1206307,YbInNi4,-4.9146903033000005,-0.346050515,0.0,-0.0466896839,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Ni-Yb,,AB4C_cF24_216_a_e_c:In-Ni-Yb +mp-1102907,YbNiGe,-4.6541261492,-0.6732018775,0.0,-0.0631327004,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Yb,,ABC_oP12_62_c_c_c:Ge-Ni-Yb +mp-1207033,Yb2NiGe6,-4.4710934833,-0.4047023311,0.0447907306,0.0447907306,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Yb,,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Yb +mp-672394,YbIn4Ni,-3.3595313808,-0.3051180675,0.0002078817,-0.0004676323,GGA,P2_1,A4BC_mP12_4_4a_a_a:In-Ni-Yb,,"Invalid WP multiplicities - A4BC_oC24_63_a2c3f_c_c:In-Ni-Yb, expected YbIn9Ni to be YbIn4Ni" +mp-1431426,YbIn4Ni,-3.3597392625,-0.3053259492,0.0,-0.0006755139,GGA,Amm2,A4BC_oC24_38_ab3c_ab_ab:In-Ni-Yb,,"Invalid WP multiplicities - A4BC_oC24_63_a2c3f_c_c:In-Ni-Yb, expected YbIn9Ni to be YbIn4Ni" +mp-1102692,YbIn4Ni,-3.3597101933,-0.30529688,2.90692e-05,-0.0006464448,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Ni-Yb,,"Invalid WP multiplicities - A4BC_mP12_11_a2e3f_e_e:In-Ni-Yb, expected YbIn9Ni to be YbIn4Ni" +mp-573267,YbNiGe2,-4.7651262644,-0.6236760969,0.0,-0.0193219521,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ni-Yb,,"Invalid WP multiplicities - A2BC_oI32_71_2ef3m_m_2e2i:Ge-Ni-Yb, expected Yb4Ni2Ge9 to be YbNiGe2" +mp-1213194,CuTeSeBr,-3.5732041388,-0.5003410460000001,0.0865401394,0.0865401394,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Br-Cu-Se-Te,16.0,ABCD_mP16_14_e_e_e_e:Br-Cu-Se-Te +mp-1225744,CuTeSe,-3.9162242608,-0.3367495805,0.0032660208,0.0032660208,GGA,P2_13,ABC_cP12_198_a_a_a:Cu-Se-Te,12.0,ABC_cP12_198_a_a_a:Cu-Se-Te +mp-29567,CuSe2Br,-3.7660772581,-0.6050627693,0.0,-0.0454322357,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Br-Cu-Se,16.0,ABC2_mP16_14_e_e_2e:Br-Cu-Se +mp-31036,CuTe2Br,-3.5534112981,-0.5686996015,0.0,-0.0834533541,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Br-Cu-Te,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_4e:Br-Cu-Te, expected CuTe4Br to be CuTe2Br" +mp-28741,CuSe3Br,-3.780614001,-0.5526201144,0.0,-0.068569899,GGA,Pmna,ABC3_oP20_53_e_g_hi:Br-Cu-Se,20.0,"Invalid WP multiplicities - ABC3_oP20_53_e_g_2h3i:Br-Cu-Se, expected CuSe8Br to be CuSe3Br" +mp-568778,CuTeBr,-3.5719932775,-0.6401463131,0.0,-0.0744894704,GGA,Fddd,ABC_oF96_70_h_abe_h:Br-Cu-Te,24.0,"Invalid WP multiplicities - ABC_oF96_70_h_2a2b3e_h:Br-Cu-Te, expected Cu5(TeBr)2 to be CuTeBr" +mp-1180089,NaZrCu3Se4,-4.9079069478,-0.8910745207,0.0589472653,0.0589472653,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Zr,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Zr +mp-1186104,Na3Zr,-2.356094825,0.7727243026,0.7727243026,0.7727243026,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Zr,8.0,A3B_hP8_194_h_c:Na-Zr +mp-1186092,Na3Zr,-2.350445225,0.7783739026000001,0.7783739026000001,0.7783739026000001,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Zr,4.0,A3B_cP4_221_c_a:Na-Zr +mp-505172,NaZrCuSe3,-5.3670726558,-1.2908781514,0.0,-0.0487490698,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Na-Se-Zr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Na-Se-Zr +mp-7219,Na2ZrSe3,-5.1417372933,-1.5283230184,0.0,-0.0969188833,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-Se-Zr,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i2j_h:Na-Se-Zr, expected Na2ZrSe6 to be Na2ZrSe3" +mp-10955,Sn(HgSe2)2,-3.19087302,-0.5336475206,0.0,-0.0010394843,GGA,I-4,A2B4C_tI14_82_ac_g_b:Hg-Se-Sn,7.0,A2B4C_tI14_82_ac_g_b:Hg-Se-Sn +mp-16566,Cu2SnHgSe4,-3.8198285087,-0.5079145749,0.0,-0.0012613921,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Hg-Se-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Hg-Se-Sn +mp-637222,Gd2AlCo2,-9.583395246,-0.360504066,0.0,-0.0425921936,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Co-Gd,5.0,AB2C2_oI10_71_a_f_h:Al-Co-Gd +mp-1078369,Gd2Al4CoGe2,-7.2595880556,-0.6497079106,0.0,-0.0210672999,GGA,I4/mmm,A4BC2D2_tI18_139_g_a_e_e:Al-Co-Gd-Ge,9.0,A4BC2D2_tI18_139_g_a_e_e:Al-Co-Gd-Ge +mp-1190462,Gd2Al3Ge4,-6.8943594783,-0.4631279906,0.010706065,0.010706065,GGA,Cmce,A3B2C4_oC36_64_ae_f_ef:Al-Gd-Ge,18.0,A3B2C4_oC36_64_ae_f_ef:Al-Gd-Ge +mp-1202982,Gd3Co4Ge13,-6.9555437325,-0.4174937318,0.0,-0.026889509,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Gd-Ge,40.0,A4B3C13_cP40_223_e_c_ak:Co-Gd-Ge +mp-754689,Gd(AlGe)2,-6.59810076,-0.435434838,0.0,-0.017968376,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Gd-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Gd-Ge +mp-1189017,Gd5(AlCo)2,-10.5468316261,-0.3147873539,0.0,-0.0210133728,GGA,Pbam,A2B2C5_oP18_55_h_g_agh:Al-Co-Gd,18.0,A2B2C5_oP18_55_h_g_agh:Al-Co-Gd +mp-542988,Gd(CoGe)2,-8.117547788,-0.60978508,0.0,-0.125388525,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Gd-Ge,5.0,A2BC2_tI10_139_d_a_e:Co-Gd-Ge +mp-20816,Gd2AlGe2,-8.966465391,-0.737690187,0.022623006,0.022623006,GGA,C2/c,AB2C2_mC20_15_e_f_f:Al-Gd-Ge,10.0,AB2C2_mC20_15_e_f_f:Al-Gd-Ge +mp-1077056,GdAlGe,-8.177352745,-0.6957774367,0.0,-0.0714120531,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Gd-Ge,6.0,ABC_oC12_63_a_c_c:Al-Gd-Ge +mp-1025108,GdAlGe,-8.10622784,-0.6246525317,0.071124905,-0.0002871481,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Gd-Ge,6.0,ABC_tI12_109_a_a_a:Al-Gd-Ge +mp-1078863,Gd3(CoGe2)2,-9.0337560033,-0.7074100333000001,0.0123002678,0.0123002678,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Co-Gd-Ge,9.0,A2B3C4_mC18_12_i_ai_2i:Co-Gd-Ge +mp-1190055,Gd2AlGe6,-7.05031771,-0.4240968833,0.0,-0.001700665,GGA,C2/m,AB2C6_mC36_12_i_j_4ij:Al-Gd-Ge,18.0,AB2C6_mC36_12_i_j_4ij:Al-Gd-Ge +mp-6182,CsTb2Cu3Se5,-4.9584388032,-1.3274104422,0.0,-0.029173818,GGA,Cmcm,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Tb,22.0,"Invalid WP multiplicities - AB3C5D2_oC44_63_c_c2f_c5f_f:Cs-Cu-Se-Tb, expected CsTb2Cu5Se11 to be CsTb2Cu3Se5" +mp-20310,LiInSe2,-4.0183325987,-1.1052252108,0.0012425963,-0.0724014365,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:In-Li-Se,16.0,ABC2_oP16_33_a_a_2a:In-Li-Se +mp-20187,LiInSe2,-4.019575195,-1.106467807,0.0,-0.0736440327,GGA,I-42d,ABC2_tI16_122_a_b_d:In-Li-Se,8.0,ABC2_tI16_122_a_b_d:In-Li-Se +mp-1222320,LiInSe2,-3.834283595,-0.921176207,0.1852916,0.1116475673,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:In-Li-Se,4.0,ABC2_tP4_123_a_d_bc:In-Li-Se +mp-34489,LiInSe2,-3.9046681213,-0.9915607333,0.1149070737,0.041263041,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:In-Li-Se,8.0,ABC2_tI16_141_a_b_e:In-Li-Se +mp-10618,LiInSe2,-3.93774239,-1.024635002,0.081832805,0.0081887723,GGA,R-3m,ABC2_hR12_166_a_b_c:In-Li-Se,4.0,ABC2_hR12_166_a_b_c:In-Li-Se +mp-1191817,Li2In2SiSe6,-4.2544603623,-1.0070058087,0.0065184877,0.0065184877,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:In-Li-Se-Si,22.0,A2B2C6D_mC44_9_2a_2a_6a_a:In-Li-Se-Si +mp-1222655,Li2InSi,-3.0351112425,-0.0363993692,0.1910117945,0.1910117945,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-Li-Si,4.0,AB2C_cF16_216_a_bc_d:In-Li-Si +mp-1100436,LiInSi,-3.1941689033,0.1678059722,0.3377599783,0.3377599783,GGA,F-43m,ABC_cF12_216_a_c_b:In-Li-Si,3.0,ABC_cF12_216_a_c_b:In-Li-Si +mp-4579,LaSiRu,-7.3244186433,-0.779176085,0.0,-0.0433009034,GGA,P4/nmm,ABC_tP6_129_c_a_c:La-Ru-Si,6.0,ABC_tP6_129_c_a_c:La-Ru-Si +mp-569482,LaSi2Ru3,-7.89818308,-0.6298746158,0.090686575,0.090686575,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:La-Ru-Si,6.0,AB3C2_hP6_191_a_g_c:La-Ru-Si +mp-29240,LaSi2Ru3,-7.9044184458,-0.6361099817,0.0844512092,0.0844512092,GGA,P6_3/mcm,AB3C2_hP12_193_b_g_d:La-Ru-Si,12.0,AB3C2_hP12_193_b_g_d:La-Ru-Si +mp-1222913,LaCeRu4,-8.205420465,-0.210969395,0.0,-0.0024161599,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-La-Ru,6.0,ABC4_cF24_216_a_c_e:Ce-La-Ru +mp-1069594,LaSi3Ru,-6.775009486,-0.6777367390000001,0.0,-0.0078003721,GGA,I4mm,ABC3_tI10_107_a_a_ab:La-Ru-Si,5.0,ABC3_tI10_107_a_a_ab:La-Ru-Si +mp-1223245,LaCe4(SiRu)10,-7.881549968,-0.854927191,0.0041759388,0.0041759388,GGA,I4/mmm,A4BC10D10_tI50_139_2e_a_d2g_5e:Ce-La-Ru-Si,25.0,"Invalid WP multiplicities - A4BC10D10_tI50_139_3e_a_2d7g_9e:Ce-La-Ru-Si, expected LaCe6(Si9Ru16)2 to be LaCe4(SiRu)10" +mp-28795,LaSi2Ru,-7.0694986825,-0.8042372563,0.0,-0.0324123669,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:La-Ru-Si,8.0,ABC2_mP8_11_e_e_2e:La-Ru-Si +mp-5105,La(SiRu)2,-7.731763078,-0.8646734290000001,0.0,-0.1517261495,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:La-Ru-Si +mp-1217669,Tb4Fe29Si5,-7.8734902926,-0.2078410916,0.0212571512,0.0212571512,GGA,C2/m,A29B5C4_mC76_12_a4i5j_cj_2i:Fe-Si-Tb,38.0,"Invalid WP multiplicities - A29B5C4_mC76_12_a8i18j_dj_4i:Fe-Si-Tb, expected Tb8Fe89Si5 to be Tb4Fe29Si5" +mp-1217840,Tb(AlFe)6,-6.3780195077,-0.3835619431,0.0,-0.0376898325,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Tb,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Tb +mp-1217843,Tb(Fe5Si)2,-7.9405923277,-0.2340373846,0.0148254462,0.0148254462,GGA,Immm,A10B2C_oI26_71_efgk_h_a:Fe-Si-Tb,13.0,A10B2C_oI26_71_efgk_h_a:Fe-Si-Tb +mp-1208605,Tb12Al7Si,-4.7321279312,-0.3692908292,0.0101269801,0.0101269801,GGA,I4/mcm,A7BC12_tI80_140_chl_a_ghm:Al-Si-Tb,40.0,A7BC12_tI80_140_chl_a_ghm:Al-Si-Tb +mp-1208504,Tb3Fe2Si7,-6.307761635,-0.5727310575,0.0219614792,0.0219614792,GGA,Amm2,A2B7C3_oC24_38_2a_4a3b_a2b:Fe-Si-Tb,12.0,A2B7C3_oC24_38_2a_4a3b_a2b:Fe-Si-Tb +mp-22468,Tb2Fe3Si5,-6.8365417892,-0.6560031912000001,0.0,-0.011623508,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Tb,40.0,"Invalid WP multiplicities - A3B5C2_tP40_128_2d2h_e2gh_h:Fe-Si-Tb, expected Tb2Fe6Si7 to be Tb2Fe3Si5" +mp-867878,AlFe2Si,-6.9725058975,-0.4447718275,0.0,-0.0433386369,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Si,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Si +mp-29111,Al2Fe3Si4,-6.46533481,-0.3983917644,0.0100813761,0.0100813761,GGA,Cmcm,A2B3C4_oC36_63_f_cf_2cf:Al-Fe-Si,18.0,A2B3C4_oC36_63_f_cf_2cf:Al-Fe-Si +mp-1217721,Tb3(Al2Fe)2,-5.4462593467,-0.3545433422,0.0199588081,0.0199588081,GGA,P-1,A4B2C3_aP18_2_bc3i_dei_3i:Al-Fe-Tb,18.0,"Invalid WP multiplicities - A4B2C3_aP18_2_bc4i_dei_5i:Al-Fe-Tb, expected Tb5Al5Fe2 to be Tb3(Al2Fe)2" +mp-3194,Tb2Al3Si2,-5.0109863186,-0.5315440686,0.0,-0.0507323629,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Si-Tb,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Si-Tb, expected Tb2Al5Si2 to be Tb2Al3Si2" +mp-1193564,Tb(Al5Fe)2,-4.8975754442,-0.3567933812,0.0,-0.0091406358,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Tb,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Tb +mp-1217719,Tb2Fe4Si9,-6.4286245547,-0.296845934,0.2294297227,0.2294297227,GGA,P-3m1,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Tb,15.0,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Tb +mp-3546,Tb(Al2Fe)4,-5.6973316892,-0.4297118754,0.0,-0.0439891819,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Tb,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Tb +mp-1190708,Al3Fe2Si,-5.9902387367,-0.3898907467,0.0003526959,0.0003526959,GGA,Fd-3m,A3B2C_cF96_227_f_e_c:Al-Fe-Si,24.0,A3B2C_cF96_227_f_e_c:Al-Fe-Si +mp-17652,Tb6Al3Si,-4.8330030738000005,-0.3861788618,0.036868191,0.036868191,GGA,I4/mcm,A3BC6_tI80_140_hl_ac_ghm:Al-Si-Tb,40.0,"Invalid WP multiplicities - A3BC6_tI80_140_hl_ac_gh2m:Al-Si-Tb, expected Tb10Al3Si to be Tb6Al3Si" +mp-1208363,Tb(AlFe2)4,-6.9466770262,-0.2253817108,0.0359780205,0.0359780205,GGA,I4/mmm,A4B8C_tI26_139_i_fj_a:Al-Fe-Tb,13.0,A4B8C_tI26_139_i_fj_a:Al-Fe-Tb +mp-6563,TbAl9(Fe2Si3)2,-5.6134115014,-0.3745844219,0.0,-0.0127205371,GGA,P4_2/nmc,A9B4C6D_tP80_137_c2gh_fg_3g_d:Al-Fe-Si-Tb,80.0,"Invalid WP multiplicities - A9B4C6D_tP80_137_c3g2h_fg_5g_d:Al-Fe-Si-Tb, expected TbAl15(Fe2Si5)2 to be TbAl9(Fe2Si3)2" +mp-29066,Al3Fe2Si3,-5.8779276253,-0.3213371253,0.0068518115,0.0068518115,GGA,P2_1/c,A3B2C3_mP64_14_6e_4e_6e:Al-Fe-Si,64.0,A3B2C3_mP64_14_6e_4e_6e:Al-Fe-Si +mp-1217593,TbAl7Fe5,-6.0254330246,-0.3943943354,0.0122425738,0.0122425738,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Tb,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Tb +mp-1217696,Tb2AlFe3,-6.5627571267,-0.1586951833,0.0176199616,0.0176199616,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Fe-Tb,6.0,AB3C2_hR18_166_a_d_c:Al-Fe-Tb +mp-1207018,TbFeSi2,-6.675235605,-0.6864797625,0.0,-0.0082960494,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Fe-Si-Tb,8.0,AB2C_mP8_11_e_2e_e:Fe-Si-Tb +mp-1025559,TbFeSi2,-6.63263842,-0.6438825775,0.042597185,0.0343011356,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Si-Tb,8.0,AB2C_oC16_63_c_2c_c:Fe-Si-Tb +mp-31094,Tb2FeSi2,-6.378164409,-0.660286515,0.020049109,0.020049109,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Si-Tb,10.0,AB2C2_mC20_12_i_2i_2i:Fe-Si-Tb +mp-1217649,Tb3FeSi6,-5.9466030835,-0.4541003145,0.1436888205,0.1436888205,GGA,Amm2,AB6C3_oC40_38_2a_6a6b_3a3b:Fe-Si-Tb,20.0,AB6C3_oC40_38_2a_6a6b_3a3b:Fe-Si-Tb +mp-21363,TbFeSi,-6.784403605,-0.6078351583,0.0,-0.0498158212,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Si-Tb,6.0,ABC_tP6_129_a_c_c:Fe-Si-Tb +mp-505229,Al3FeSi2,-5.3250968996,-0.2321994396,0.0075682628,0.0075682628,GGA,Pbcn,A3BC2_oP24_60_ad_c_d:Al-Fe-Si,24.0,A3BC2_oP24_60_ad_c_d:Al-Fe-Si +mp-1228467,Al3FeSi2,-5.3017325408,-0.2088350808,0.0309326216,0.0309326216,GGA,I4cm,A3BC2_tI24_108_ac_a_c:Al-Fe-Si,12.0,A3BC2_tI24_108_ac_a_c:Al-Fe-Si +mp-1208479,Tb3Fe2Si3,-6.5066293969,-0.6167425456,0.0364054037,0.0364054037,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Tb,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Tb +mp-1208545,Tb(Fe2Si)2,-7.47379956,-0.4216442743,0.0405295543,0.0405295543,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Si-Tb,14.0,A4B2C_tP14_136_i_f_a:Fe-Si-Tb +mp-1217717,Tb2FeSi4,-6.1275756871,-0.4932863257,0.1298429886,0.1298429886,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Tb,7.0,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Tb +mp-1229249,Al79(Fe13Si9)2,-5.2939232176,-0.3038682048,0.0001753439,0.0001753439,GGA,P-1,A79B26C18_aP123_2_a39i_13i_9i:Al-Fe-Si,123.0,"Invalid WP multiplicities - A79B26C18_aP123_2_a78i_25i_18i:Al-Fe-Si, expected Al157(Fe25Si18)2 to be Al79(Fe13Si9)2" +mp-1229054,Al53Fe17Si12,-5.2711439291,-0.3002939789,0.0,-0.0022693934,GGA,P-1,A53B17C12_aP82_2_b26i_d8i_6i:Al-Fe-Si,82.0,"Invalid WP multiplicities - A53B17C12_aP82_2_b51i_d15i_12i:Al-Fe-Si, expected Al103Fe31Si24 to be Al53Fe17Si12" +mp-1217598,TbAlFe,-5.8934582867,-0.2768039067,0.0184234415,0.0184234415,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Tb,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Tb, expected Tb3(AlFe)2 to be TbAlFe" +mp-1217609,TbAlFe,-5.89628955,-0.27963517,0.0155921781,0.0155921781,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Tb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Tb, expected Tb3(AlFe)2 to be TbAlFe" +mp-1217687,Tb2Al3Fe,-5.2246585867,-0.39541177,0.0176740881,0.0176740881,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Fe-Tb,6.0,A3BC2_hR18_166_d_a_c:Al-Fe-Tb +mp-5399,Tb(FeSi)2,-7.132052276,-0.6470433600000001,0.0,-0.0758774829,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Tb +mp-29110,Al2(FeSi)3,-6.6010944144,-0.4539482419,0.0,-0.0387098823,GGA,P-1,A2B3C3_aP16_2_2i_3i_3i:Al-Fe-Si,16.0,"Invalid WP multiplicities - A2B3C3_aP16_2_3i_3i_5i:Al-Fe-Si, expected Al3Fe3Si5 to be Al2(FeSi)3" +mp-10436,Tb(AlSi)2,-4.947391006,-0.352160242,0.019920606,0.019920606,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Si-Tb,5.0,A2B2C_hP5_164_d_d_a:Al-Si-Tb +mp-1217643,TbAlFe2,-6.5382832458,-0.2082871583,0.0264647807,0.0264647807,GGA,P-3m1,AB2C_hP24_164_i_abcdi_3d:Al-Fe-Tb,24.0,AB2C_hP24_164_i_abcdi_3d:Al-Fe-Tb +mp-571390,Cs2LiCl3,-3.7361220967,-2.1952324982,0.0248594388,0.0248594388,GGA,Cmcm,A3B2C_oC24_63_cf_2c_c:Cl-Cs-Li,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_cf_3c_c:Cl-Cs-Li, expected Cs3LiCl3 to be Cs2LiCl3" +mp-606711,Cs3LiCl4,-3.6681134975,-2.1694539196,0.0593525641,0.0593525641,GGA,Amm2,A4B3C_oC16_38_abc_ac_b:Cl-Cs-Li,8.0,"Invalid WP multiplicities - A4B3C_oC16_38_ab2c_a2c_b:Cl-Cs-Li, expected Cs5LiCl6 to be Cs3LiCl4" +mp-1120734,Cs3LiCl4,-3.5126780487,-2.0140184709,0.2147880128,0.2147880128,GGA,P4/mmm,A4B3C_tP8_123_j_be_d:Cl-Cs-Li,8.0,A4B3C_tP8_123_j_be_d:Cl-Cs-Li +mp-571666,CsLi3Cl4,-3.8934781062,-2.1414384047,0.0283551591,0.0283551591,GGA,Cmcm,A4BC3_oC32_63_4c_c_3c:Cl-Cs-Li,16.0,"Invalid WP multiplicities - A4BC3_oC32_63_7c_c_6c:Cl-Cs-Li, expected CsLi6Cl7 to be CsLi3Cl4" +mp-1190687,CsLi2Cl3,-3.8892859529,-2.179476272,0.0012737183,0.0012737183,GGA,Pbcn,A3BC2_oP24_60_cd_c_d:Cl-Cs-Li,24.0,A3BC2_oP24_60_cd_c_d:Cl-Cs-Li +mp-569117,CsLi2Cl3,-3.87144433,-2.1616346491,0.0191153413,0.0191153413,GGA,Immm,A3BC2_oI12_71_af_b_e:Cl-Cs-Li,6.0,A3BC2_oI12_71_af_b_e:Cl-Cs-Li +mp-1101094,Cs2CeCl6,-4.5470767611,-2.4565085545,0.0,-0.2138989172,GGA,P-3m1,AB6C2_hP9_164_a_i_d:Ce-Cl-Cs,9.0,AB6C2_hP9_164_a_i_d:Ce-Cl-Cs +mp-1113020,Cs2LiCeCl6,-4.530801301,-2.4583976284,0.0,-0.012664098,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Li +mp-1188344,CsLiCl2,-3.8280124831,-2.2026628434,0.0,-0.0043181084,GGA,C2/c,A2BC_mC32_15_2ef_f_f:Cl-Cs-Li,16.0,A2BC_mC32_15_2ef_f_f:Cl-Cs-Li +mp-23364,CsLiCl2,-3.8157918075,-2.1904421678,0.0122206756,0.0079025672,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:Cl-Cs-Li,8.0,A2BC_tP8_129_ac_c_c:Cl-Cs-Li +mp-570756,Cs3Li2Cl5,-3.76123119,-2.186557575,0.0265627245,0.0265627245,GGA,Cm,A5B3C2_mC20_8_a2b_ab_b:Cl-Cs-Li,10.0,"Invalid WP multiplicities - A5B3C2_mC20_8_a4b_ab_b:Cl-Cs-Li, expected Cs3Li2Cl9 to be Cs3Li2Cl5" +mp-1214351,Cs3CeCl6,-4.4572174277,-2.4861658046,0.0,-0.0504813188,GGA,C2/c,AB6C3_mC80_15_ce_6f_3f:Ce-Cl-Cs,,AB6C3_mC80_15_ae_6f_3f:Ce-Cl-Cs +mp-1112370,Cs3CeCl6,-4.417340298,-2.4462886749,0.0398771298,-0.010604189,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-Cl-Cs,10.0,AB6C3_cF40_225_a_e_bc:Ce-Cl-Cs +mp-1192171,Nd2Mn3Cu9As7,-5.3780920419000005,-0.3052811083,0.0583596414,0.0583596414,GGA,P-6,A7B9C3D2_hP21_174_ajk_2jk_k_cf:As-Cu-Mn-Nd,21.0,A7B9C3D2_hP21_174_ajk_2jk_k_cf:As-Cu-Mn-Nd +mp-1227957,BaFeAs2Ru,-6.384727016,-0.5883999160000001,0.0416149765,0.0416149765,GGA,I-4m2,A2BCD_tI10_119_f_c_a_b:As-Ba-Fe-Ru,5.0,A2BCD_tI10_119_f_c_a_b:As-Ba-Fe-Ru +mp-1214761,Ba(As3Ru)4,-6.0067514665,-0.4228687629,0.0077923505,0.0077923505,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Ba-Ru,17.0,A12BC4_cI34_204_g_a_c:As-Ba-Ru +mp-4109,Ba(AsRu)2,-6.653371366,-0.696168,0.0,-0.1793004216,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Ru,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Ru +mp-1229277,BaFe12,-7.6139961465,0.3520984273,0.3520984273,0.3520984273,GGA,P6_3mc,AB12_hP26_186_b_2a4b2c:Ba-Fe,26.0,"Invalid WP multiplicities - AB12_hP26_186_b_2a8b4c:Ba-Fe, expected BaFe22 to be BaFe12" +mp-1232847,Ba(FeAs)2,-6.167316092,-0.5318652580000001,0.031996527,-0.0599331563,GGA,C2/m,A2BC2_mC20_12_2i_ac_2i:As-Ba-Fe,10.0,"Invalid WP multiplicities - A2BC2_mC20_12_4i_ad_2i:As-Ba-Fe, expected Ba(FeAs2)2 to be Ba(FeAs)2" +mp-568961,Ba(FeAs)2,-6.199312619,-0.5638617850000001,0.0,-0.0919296833,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Fe,10.0,A2BC2_oF20_69_g_a_f:As-Ba-Fe +mp-1105724,Ba2ErGaTe5,-4.5306023333,-1.5139029801,0.0177605093,0.0177605093,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-Ga-Te,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-Ga-Te +mp-17928,Ba(ErTe2)2,-5.1432079125,-1.767831322,0.0,-0.0238040839,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Er-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Er-Te +mp-38117,Ba(GaTe2)2,-3.9613164971,-1.0258321317,0.0,-0.0425191536,GGA,I422,AB2C4_tI14_97_a_c_j:Ba-Ga-Te,7.0,AB2C4_tI14_97_a_c_j:Ba-Ga-Te +mp-1106025,Bi6Te10Pb,-3.9380883706,-0.515227148,0.0065305953,0.0065305953,GGA,R-3m,A6BC10_hR51_166_3c_a_5c:Bi-Pb-Te,17.0,A6BC10_hR51_166_3c_a_5c:Bi-Pb-Te +mp-1206226,Ag(BiTe2)3,-2.447798888,0.8735869873000001,1.3255340687,1.3255340687,GGA,Cmmm,AB3C6_oC20_65_a_de_kp:Ag-Bi-Te,10.0,AB3C6_oC20_65_a_de_kp:Ag-Bi-Te +mp-1229113,AgBiTe3Pb,-3.725660675,-0.4230590278,0.0452743375,0.0452743375,GGA,Imm2,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Pb-Te,6.0,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Pb-Te +mp-23005,Bi4Te7Pb,-3.9489826033,-0.5258371997,0.0011975125,0.0011975125,GGA,P-3m1,A4BC7_hP12_164_2d_a_bc2d:Bi-Pb-Te,12.0,"Invalid WP multiplicities - A4BC7_hP12_164_4d_a_b2c4d:Bi-Pb-Te, expected Bi8Te13Pb to be Bi4Te7Pb" +mp-569044,Bi2Te5Pb2,-3.9255918333,-0.5008360704,0.0561014656,0.0561014656,GGA,P-3m1,A2B2C5_hP9_164_d_c_a2d:Bi-Pb-Te,9.0,"Invalid WP multiplicities - A2B2C5_hP9_164_d_c_a3d:Bi-Pb-Te, expected Bi2Te7Pb2 to be Bi2Te5Pb2" +mp-1227398,Bi2Te4Pb,-3.9364589557,-0.5126233981,0.02722681,0.02722681,GGA,R3m,A2BC4_hR21_160_2a_a_4a:Bi-Pb-Te,7.0,A2BC4_hR21_160_2a_a_4a:Bi-Pb-Te +mp-676250,Bi2Te4Pb,-3.9628855786,-0.539050021,0.0008001871,0.0008001871,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-Pb-Te,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_3c:Bi-Pb-Te, expected Bi2Te6Pb to be Bi2Te4Pb" +mp-1227656,Bi3Te5Pb,-3.8907310833,-0.451770647,0.0647130594,0.0647130594,GGA,P3m1,A3BC5_hP9_156_abc_a_a2b2c:Bi-Pb-Te,9.0,A3BC5_hP9_156_abc_a_a2b2c:Bi-Pb-Te +mp-1229085,AgBiTe2,-3.524595455,-0.284681225,0.1094472312,0.1094472312,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Bi-Te,4.0,ABC2_tP4_123_a_d_bc:Ag-Bi-Te +mp-570549,AgBiTe2,-3.5357099783,-0.2957957483,0.0983327079,0.0983327079,GGA,P-3m1,ABC2_hP12_164_ad_bd_c2d:Ag-Bi-Te,12.0,ABC2_hP12_164_ad_bd_c2d:Ag-Bi-Te +mp-1182952,AgBiTe2,-3.6149666733,-0.3750524433,0.0190760129,0.0190760129,GGA,P-3m1,ABC2_hP12_164_ad_bd_c2d:Ag-Bi-Te,12.0,ABC2_hP12_164_ad_bd_c2d:Ag-Bi-Te +mp-29656,AgBiTe2,-3.61298605,-0.37307182,0.0210566362,0.0210566362,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Bi-Te,4.0,ABC2_hR12_166_a_b_c:Ag-Bi-Te +mp-1093718,Cs2AuCl,-2.61192972,-0.883623869,0.397491325,0.397491325,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cl-Cs,4.0,ABC2_oI8_71_a_b_e:Au-Cl-Cs +mp-1095499,CsAuCl4,-3.2866965383,-1.3594580363,0.0,-0.1277733371,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-Cl-Cs,12.0,AB4C_mC24_15_a_2f_e:Au-Cl-Cs +mp-1183946,CsPr3,-3.2716255825,0.5379043268,0.5379043268,0.5379043268,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-Pr,4.0,AB3_tI8_139_a_bd:Cs-Pr +mp-23484,CsAuCl3,-3.35698054,-1.4140016696,0.0,-0.025775224,GGA,I4/mmm,AB3C_tI20_139_ab_eh_d:Au-Cl-Cs,10.0,AB3C_tI20_139_ab_eh_d:Au-Cl-Cs +mp-23026,CsAuCl3,-3.286337196,-1.3433583256,0.070643344,0.04486812,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Cl-Cs,5.0,AB3C_cP5_221_b_c_a:Au-Cl-Cs +mp-1213617,CsPr2Cl7,-5.0319058909,-2.6922088407,0.0,-0.0107764798,GGA,Pnma,A7BC2_oP80_62_6c4d_2c_2cd:Cl-Cs-Pr,80.0,A7BC2_oP80_62_6c4d_2c_2cd:Cl-Cs-Pr +mp-1113408,Cs2PrAuCl6,-4.148171777,-2.0544905311,0.1164592826,0.1164592826,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Pr +mp-1213713,Cs2PrCl5,-4.5432015803,-2.5664023554,0.0,-0.0106717743,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-Cs-Pr,32.0,A5B2C_oP32_62_3cd_d_c:Cl-Cs-Pr +mp-1112362,Cs3PrCl6,-4.311250518,-2.4554172349,0.054820593,0.0486946743,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Pr,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Pr +mp-1213891,Cs3PrCl6,-4.366071111,-2.5102378279,0.0,-0.0061259187,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Cs-Pr,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Cs-Pr +mp-1192723,Cs2CuBr4,-3.2631180914,-1.5342431294,0.0,-0.0054524732,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Cu,28.0,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Cu +mp-582423,Cs3Cu2Br5,-3.3839135545,-1.5189373439,0.0,-0.016756738,GGA,Pnma,A5B3C2_oP40_62_3cd_cd_2c:Br-Cs-Cu,40.0,"Invalid WP multiplicities - A5B3C2_oP40_62_11c5d_3c3d_5c:Br-Cs-Cu, expected Cs9Cu5Br21 to be Cs3Cu2Br5" +mp-1112273,Cs2CuMoBr6,-3.927109584,-1.3217264336,0.0993154953,0.0993154953,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Mo +mp-27336,CsCuBr3,-3.2331064135,-1.3023676071,0.0,-0.0099411995,GGA,C222_1,A3BC_oC40_20_ab2c_ab_c:Br-Cs-Cu,20.0,"Invalid WP multiplicities - A3BC_oC40_20_ab3c_ab_c:Br-Cs-Cu, expected CsCuBr4 to be CsCuBr3" +mp-23017,CsCu2Br3,-3.3992189408,-1.1070688238,0.0,-0.0145163772,GGA,Cmcm,A3BC2_oC24_63_cg_c_e:Br-Cs-Cu,12.0,A3BC2_oC24_63_cg_c_e:Br-Cs-Cu +mp-571184,CuMo3Br7,-5.3343970253,-1.0155465426,0.0,-0.0121176099,GGA,Pn-3,A7BC3_cP88_201_e2h_e_h:Br-Cu-Mo,88.0,"Invalid WP multiplicities - A7BC3_cP88_201_7e22h_e_h:Br-Cu-Mo, expected CuMo3Br73 to be CuMo3Br7" +mp-1226699,Cs2CuBr3,-3.3478342375,-1.5896515035,0.0252709962,0.0252709962,GGA,P2_12_12_1,A3B2C_oP24_19_3a_2a_a:Br-Cs-Cu,24.0,A3B2C_oP24_19_3a_2a_a:Br-Cs-Cu +mp-1111620,Rb2ScAuCl6,-4.250179284,-1.984315363,0.0715474172,0.0715474172,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sc +mp-1113948,Rb2TaCuCl6,-4.491146186,-1.5902189455,0.2433701624,0.2433701624,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Ta +mp-1385732,RbPdBr3,-3.435351548,-1.2714513735,0.007196886,0.007196886,GGA,Amm2,A3BC_oC10_38_ae_b_a:Br-Pd-Rb,5.0,A3BC_cP5_221_c_b_a:Br-Pd-Rb +mp-567515,Rb2Hg2PdBr8,-2.7943260208,-1.2425923804,0.0,-0.0430775744,GGA,C2/m,A8B2CD2_mC26_12_2ij_i_a_i:Br-Hg-Pd-Rb,13.0,"Invalid WP multiplicities - A8B2CD2_mC26_12_3i2j_i_a_i:Br-Hg-Pd-Rb, expected Rb2Hg2PdBr14 to be Rb2Hg2PdBr8" +mp-28084,Rb2PdBr6,-3.2241094178,-1.3953183139,0.0,-0.2060266511,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Br-Pd-Rb,9.0,A6BC2_cF36_225_e_a_c:Br-Pd-Rb +mp-1111468,Rb2GaAgCl6,-3.57850743,-1.6872134169000002,0.0618796451,0.0618796451,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-Rb +mp-1111428,Cs2NaTaCl6,-4.557889418,-1.9516566552,0.0943731846,0.0943731846,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Ta +mp-1112502,Cs2TlAsCl6,-3.662250983,-1.6718723574,0.013433294,0.013433294,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Tl +mp-1179142,SrCoCu3Se4,-4.5189484978,-0.6212732568,0.1832682468,0.1832682468,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Co-Cu-Se-Sr,9.0,AB3C4D_cP9_215_b_c_e_a:Co-Cu-Se-Sr +mp-1218915,SnTe2Pb,-4.05337027,-0.5511625921000001,0.0057886575,0.0057886575,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Pb-Sn-Te,4.0,ABC2_tP4_123_a_d_bc:Pb-Sn-Te +mp-1218924,SnTe2Pb,-4.05575587,-0.5535481921000001,0.0034030575,0.0034030575,GGA,R-3m,ABC2_hR12_166_a_b_c:Pb-Sn-Te,4.0,ABC2_hR12_166_a_b_c:Pb-Sn-Te +mp-1217291,TePb2Se,-4.21562089,-0.6994930123,0.0071989175,0.0071989175,GGA,R-3m,A2BC_hR12_166_c_a_b:Pb-Se-Te,4.0,A2BC_hR12_166_c_a_b:Pb-Se-Te +mp-1218925,SnTe4Pb3,-4.0483209838,-0.583228904,0.0036183125,0.0036183125,GGA,P4/mmm,A3BC4_tP8_123_ah_b_cdg:Pb-Sn-Te,8.0,"Invalid WP multiplicities - A3BC4_tP8_123_a2h_b_cd2g:Pb-Sn-Te, expected SnTe6Pb5 to be SnTe4Pb3" +mp-1218958,SnPb4Se5,-4.402582864,-0.7686111117000001,0.0024114427,0.0024114427,GGA,R-3m,A4B5C_hR30_166_2c_a2c_b:Pb-Se-Sn,10.0,"Invalid WP multiplicities - A4B5C_hR30_166_3c_a4c_b:Pb-Se-Sn, expected Sn(Pb2Se3)3 to be SnPb4Se5" +mp-1218938,SnPbSe2,-4.40739459,-0.7288841199,0.0037112519,0.0037112519,GGA,R-3m,AB2C_hR12_166_a_c_b:Pb-Se-Sn,4.0,AB2C_hR12_166_a_c_b:Pb-Se-Sn +mp-1217406,Te4Pb5Se,-4.095781117,-0.6325440769,0.020178605,0.020178605,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:Pb-Se-Te,10.0,"Invalid WP multiplicities - A5BC4_tI20_139_a4e_b_3e:Pb-Se-Te, expected Te6Pb9Se to be Te4Pb5Se" +mp-1219009,Sn4Te5Pb,-4.058781889,-0.5120354933,0.009040596,0.009040596,GGA,I4/mmm,AB4C5_tI20_139_a_2e_b2e:Pb-Sn-Te,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:Pb-Sn-Te, expected Sn6Te7Pb to be Sn4Te5Pb" +mp-1218887,SnTePbSe,-4.1873860525,-0.5970269785,0.0498730175,0.0498730175,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:Pb-Se-Sn-Te,4.0,ABCD_tP4_123_a_b_d_c:Pb-Se-Sn-Te +mp-1218892,SnTePbSe,-4.224060725,-0.6337016510000001,0.013198345,0.013198345,GGA,R3m,ABCD_hR12_160_a_a_a_a:Pb-Se-Sn-Te,4.0,ABCD_hR12_160_a_a_a_a:Pb-Se-Sn-Te +mp-1219016,Sn2PbSe3,-4.40834797,-0.7050937678,0.0061531692,0.0061531692,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Pb-Se-Sn,6.0,AB3C2_hP6_164_a_bd_d:Pb-Se-Sn +mp-1218909,SnTe5Pb4,-4.047259803,-0.5895908428000001,0.003235567,0.003235567,GGA,R-3m,A4BC5_hR30_166_2c_a_b2c:Pb-Sn-Te,10.0,"Invalid WP multiplicities - A4BC5_hR30_166_3c_a_b4c:Pb-Sn-Te, expected Sn(Te3Pb2)3 to be SnTe5Pb4" +mp-1198172,Dy5Zr3(Ni4As3)4,-6.3034928325,-0.8293638372000001,0.0,-0.0471696131,GGA,P-62m,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Dy-Ni-Zr,36.0,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Dy-Ni-Zr +mp-1206295,Dy2NiAs2,-6.101993364,-1.23960393,0.0030087925,0.0030087925,GGA,P6_3mc,A2B2C_hP10_186_ab_2b_a:As-Dy-Ni,10.0,A2B2C_hP10_186_ab_2b_a:As-Dy-Ni +mp-1078556,Dy2NiAs2,-6.104374252,-1.241984818,0.0006279045,0.0006279045,GGA,P6_3/mmc,A2B2C_hP10_194_ac_f_b:As-Dy-Ni,10.0,A2B2C_hP10_194_ac_f_b:As-Dy-Ni +mp-1191758,Dy2Ni12As7,-5.8318806743,-0.5371643564,0.0,-0.014362051,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Dy-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Dy-Ni +mp-1207428,ZrNiAs,-7.2180556383,-0.8890703999999999,0.0,-0.0269661583,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ni-Zr,12.0,ABC_oP12_62_c_c_c:As-Ni-Zr +mp-1215378,Zr4Ni3As8,-6.67956193,-0.75928461,0.0,-0.0078486636,GGA,P-4m2,A8B3C4_tP15_115_ef2g_abc_2g:As-Ni-Zr,15.0,"Invalid WP multiplicities - A8B3C4_tP15_115_ef4g_abc_4g:As-Ni-Zr, expected Zr8(NiAs4)3 to be Zr4Ni3As8" +mp-8786,Zr2NiAs2,-7.45155124,-1.01279629,0.0,-0.022442254,GGA,P6_3/mmc,A2BC2_hP10_194_ac_b_f:As-Ni-Zr,10.0,"Invalid WP multiplicities - A2BC2_hP10_194_a2c_b_f:As-Ni-Zr, expected Zr2NiAs3 to be Zr2NiAs2" +mp-1104853,Zr(Ni2As)2,-6.4048249029,-0.54961288,0.0,-0.0469836195,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Zr,14.0,A2B4C_tP14_136_f_i_a:As-Ni-Zr +mp-11340,Dy(Ni2As)2,-5.9219644714,-0.6297401329,0.0,-0.0365133664,GGA,P4_2/mnm,A2BC4_tP14_136_f_a_i:As-Dy-Ni,14.0,A2BC4_tP14_136_f_a_i:As-Dy-Ni +mp-1206668,DyNiAs,-6.06546729,-1.0501199817,0.0034895008,-0.0114801967,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Dy-Ni,3.0,ABC_hP3_187_a_d_e:As-Dy-Ni +mp-1212806,DyNiAs,-6.0689567908,-1.0536094825,0.0,-0.0149696975,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Dy-Ni,12.0,ABC_hP12_194_f_ab_f:As-Dy-Ni +mp-21286,MnCoGe,-7.1659744383,-0.201520791,0.014191375,0.014191375,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Mn,12.0,ABC_oP12_62_c_c_c:Co-Ge-Mn +mp-20565,MnCoGe,-7.1553106667,-0.1908570193,0.0248551467,0.0248551467,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Co-Ge-Mn,6.0,ABC_hP6_194_c_d_a:Co-Ge-Mn +mp-19850,MnCo2Ge,-7.2626077875,-0.2621881032,0.0,-0.047710617,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-Mn,4.0,A2BC_cF16_225_c_a_b:Co-Ge-Mn +mp-10394,CrCoGe,-7.2156671067,-0.0875360667,0.0645086625,0.0645086625,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Co-Cr-Ge,6.0,ABC_hP6_194_c_a_d:Co-Cr-Ge +mp-1183740,CrCo2Ge,-7.2499476725,-0.1267699438,0.0,-0.0143626906,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Cr-Ge,4.0,A2BC_cF16_225_c_a_b:Co-Cr-Ge +mp-1222067,Mn4Cr(Co2Ge)5,-7.260450587,-0.2354792938,0.0,-0.0003748225,GGA,R-3m,A10BC5D4_hR60_166_5c_a_b2c_2c:Co-Cr-Ge-Mn,20.0,"Invalid WP multiplicities - A10BC5D4_hR60_166_10c_a_b4c_3c:Co-Cr-Ge-Mn, expected Mn6CrCo20Ge9 to be Mn4Cr(Co2Ge)5" +mp-1222126,Mn3(Co2Ge3)2,-6.5835440154,-0.1483529241,0.0395507079,0.0395507079,GGA,Cmm2,A4B6C3_oC26_35_2bc_2a2d_ac:Co-Ge-Mn,13.0,A4B6C3_oC26_35_2bc_2a2d_ac:Co-Ge-Mn +mp-1222148,Mn4Co11Ge5,-7.1214953295,-0.2237605201,0.0084714131,0.0084714131,GGA,R-3m,A11B5C4_hR60_166_a5c_b2c_2c:Co-Ge-Mn,20.0,"Invalid WP multiplicities - A11B5C4_hR60_166_a9c_b2c_3c:Co-Ge-Mn, expected Mn6Co19Ge5 to be Mn4Co11Ge5" +mp-864955,Mn2CrCo,-8.8203387,-0.0489897377,0.0,-0.0344887069,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cr-Mn,4.0,ABC2_cF16_225_a_b_c:Co-Cr-Mn +mp-22289,Mn2CoGe,-7.670268205,-0.1564241465,0.0354934787,0.0354934787,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-Ge-Mn,4.0,ABC2_cF16_216_a_c_bd:Co-Ge-Mn +mp-22702,Mn2Co3Ge,-7.4159614408,-0.0372928035,0.1461184258,0.1461184258,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ge-Mn,12.0,A3BC2_hP12_194_h_a_f:Co-Ge-Mn +mp-1096078,InBiPb2,-2.3210020925,1.1833646575,1.1963333137,1.1963333137,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-In-Pb,4.0,ABC2_oI8_71_a_b_e:Bi-In-Pb +mp-570930,Bi2Pb2Se5,-4.3514463589,-0.7307986046,0.0068128867,0.0068128867,GGA,P-3m1,A2B2C5_hP9_164_c_d_a2d:Bi-Pb-Se,9.0,"Invalid WP multiplicities - A2B2C5_hP9_164_c_d_a3d:Bi-Pb-Se, expected Bi2Pb2Se7 to be Bi2Pb2Se5" +mp-1213414,In2Bi4Pb4Se13,-4.2676232573,-0.7388075412,0.0127662444,0.0127662444,GGA,Pbam,A4B2C4D13_oP92_55_2g2h_acg_4h_8g5h:Bi-In-Pb-Se,92.0,A4B2C4D13_oP92_55_2g2h_acg_4h_8g5h:Bi-In-Pb-Se +mp-1223998,In(BiSe2)3,-4.22426029,-0.6993982914,0.0179910634,0.0179910634,GGA,R3m,A3BC6_hR30_160_3a_a_6a:Bi-In-Se,10.0,A3BC6_hR30_160_3a_a_6a:Bi-In-Se +mp-1190436,Bi4Pb7Se13,-4.3574018421,-0.7408462079,0.0115225796,0.0115225796,GGA,C2/m,A4B7C13_mC48_12_2i_a3i_d6i:Bi-Pb-Se,24.0,A4B7C13_mC48_12_2i_a3i_c6i:Bi-Pb-Se +mp-675543,Bi2PbSe4,-4.3460704729,-0.7207460099,0.0,-0.0008202514,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-Pb-Se,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_3c:Bi-Pb-Se, expected Bi2PbSe6 to be Bi2PbSe4" +mp-1106139,In4Bi3Pb,-3.252847905,0.0272582675,0.047005001,0.047005001,GGA,I4/mcm,A3B4C_tI32_140_ah_l_c:Bi-In-Pb,16.0,A3B4C_tI32_140_ah_l_c:Bi-In-Pb +mp-1223842,InBiSe3,-4.136142482,-0.7201610234,0.0253778948,0.0253778948,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-In-Se,5.0,ABC3_hR15_160_a_a_3a:Bi-In-Se +mp-1096812,Ag2SnSe3,-3.8368640813,-0.4764610321,0.0,-0.018937646,GGA,Cc,A2B3C_mC96_9_8a_12a_4a:Ag-Se-Sn,48.0,A2B3C_mC96_9_8a_12a_4a:Ag-Se-Sn +mp-675477,Sn4Bi2Se7,-4.3484647685,-0.6414919974000001,0.0350156562,0.0350156562,GGA,C2/m,A2B7C4_mC26_12_i_a3i_2i:Bi-Se-Sn,13.0,"Invalid WP multiplicities - A2B7C4_mC26_12_i_a5i_3i:Bi-Se-Sn, expected Sn6Bi2Se11 to be Sn4Bi2Se7" +mp-1229140,Ag2SnBiSe4,-3.8986132087,-0.461260846,0.0639965244,0.0639965244,GGA,R3m,A2BC4D_hR24_160_2a_a_4a_a:Ag-Bi-Se-Sn,8.0,A2BC4D_hR24_160_2a_a_4a_a:Ag-Bi-Se-Sn +mp-17984,Ag8SnSe6,-3.5161454663,-0.3397795498,0.0,-0.0144819778,GGA,Pmn2_1,A8B6C_oP30_31_2a3b_4ab_a:Ag-Se-Sn,30.0,"Invalid WP multiplicities - A8B6C_oP30_31_3a6b_4ab_a:Ag-Se-Sn, expected Ag15SnSe6 to be Ag8SnSe6" +mp-1229011,AgSnSe2,-3.9832758975,-0.5247881941,0.0,-0.0003049031,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-Se-Sn,4.0,AB2C_hR12_166_a_c_b:Ag-Se-Sn +mp-1212245,LaCu9Sn4,-4.1479329839,-0.0145648014,0.1584399839,0.1584399839,GGA,I4/mcm,A9BC4_tI56_140_d2l_a_k:Cu-La-Sn,28.0,A9BC4_tI56_140_d2l_a_k:Cu-La-Sn +mp-636264,La(CuSn)2,-4.696477184,-0.465764353,0.0,-0.042771242,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-La-Sn,10.0,"Invalid WP multiplicities - A2BC2_tP10_129_ac_c_2bc:Cu-La-Sn, expected LaCu2Sn3 to be La(CuSn)2" +mp-1223589,La2CuSn4,-4.8913484871,-0.6042758729000001,0.0029964017,0.0029964017,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Cu-La-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Cu-La-Sn +mp-1223511,LaGd(CuSn)4,-5.56071015,-0.4159858055,0.0005354515,0.0005354515,GGA,P4mm,A4BCD4_tP10_99_abc_a_b_abc:Cu-Gd-La-Sn,10.0,A4BCD4_tP10_99_abc_a_b_abc:Cu-Gd-La-Sn +mp-1225481,LaCuSn,-4.9005211267,-0.55225925,0.043258525,-0.0165506581,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-La-Sn,3.0,ABC_hP3_187_a_d_e:Cu-La-Sn +mp-20024,LaCuSn,-4.9437796517,-0.595517775,0.0,-0.0598091831,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-La-Sn,6.0,ABC_hP6_194_c_a_d:Cu-La-Sn +mp-1211431,LaCu5Sn,-4.4634085507,-0.257463935,0.0,-0.0022420314,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-La-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-La-Sn +mp-5927,Cs2Mn3Te4,-5.3371171517,-0.6871089079,0.0,-0.0277614709,GGA,Ibam,A2B3C4_oI36_72_j_af_k:Cs-Mn-Te,18.0,"Invalid WP multiplicities - A2B3C4_oI36_72_j_a2f_k:Cs-Mn-Te, expected Cs2Mn5Te4 to be Cs2Mn3Te4" +mp-651582,Mn(InTe2)2,-4.3720650075,-0.4808355324,0.0354000696,0.0075651832,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:In-Mn-Te,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_4c_c_16c:In-Mn-Te, expected Mn(InTe4)4 to be Mn(InTe2)2" +mp-1221979,Mn(InTe2)2,-4.4074650771,-0.5162356021,0.0,-0.0278348864,GGA,I-4,A2BC4_tI14_82_ac_b_g:In-Mn-Te,7.0,A2BC4_tI14_82_ac_b_g:In-Mn-Te +mp-675577,Mn(InTe2)2,-4.4039300343,-0.5127005592,0.0035350429,-0.0242998435,GGA,I-42m,A2BC4_tI14_121_d_a_i:In-Mn-Te,7.0,A2BC4_tI14_121_d_a_i:In-Mn-Te +mp-1199743,CsInTe2,-3.4282897175,-0.9448652453,0.0,-0.1646474365,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Cs-In-Te,32.0,ABC2_mC64_15_2f_2f_2e3f:Cs-In-Te +mp-1207341,CsMnTe2,-4.7665743225,-0.6805669598,0.0646000779,0.0646000779,GGA,I-4m2,ABC2_tI8_119_a_c_e:Cs-Mn-Te,4.0,ABC2_tI8_119_a_c_e:Cs-Mn-Te +mp-660213,Cs2MnTe2,-3.293936474,0.1539498906,1.09806205,1.019120851,GGA,Cm,A2BC2_mC20_8_4a_b_4a:Cs-Mn-Te,10.0,"Invalid WP multiplicities - A2BC2_mC20_12_3i_g_3i:Cs-Mn-Te, expected Cs3MnTe3 to be Cs2MnTe2" +mp-610744,Cs2MnTe2,-4.391998524,-0.9441121594,0.0,-0.078941199,GGA,Ibam,A2BC2_oI20_72_j_a_j:Cs-Mn-Te,10.0,A2BC2_oI20_72_j_a_j:Cs-Mn-Te +mp-1204512,CsMnInTe3,-4.4643368294,-0.7578336504000001,0.0,-0.0267929755,GGA,C2/c,ABCD3_mC96_15_2f_2f_2ef_6f:Cs-In-Mn-Te,48.0,ABCD3_mC96_15_2f_2f_2ef_6f:Cs-In-Mn-Te +mp-21271,PrMnGe,-6.6178496183,-0.4291999843,0.1269933874,0.1269933874,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Mn-Pr,6.0,ABC_tP6_129_c_a_c:Ge-Mn-Pr +mp-13125,PrCoGe3,-5.721135752,-0.5694743290000001,0.0,-0.045659336,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Ge-Pr,5.0,"Invalid WP multiplicities - AB3C_tI10_107_a_a2b_a:Co-Ge-Pr, expected PrCoGe5 to be PrCoGe3" +mp-1191367,Pr3CoGe2,-5.7523804312,-0.6361986362000001,0.0,-0.0067476723,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Co-Ge-Pr,24.0,AB2C3_oP24_62_c_2c_3c:Co-Ge-Pr +mp-1190002,Pr2Co3Ge5,-5.973769741,-0.573579324,0.002216909,0.002216909,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Pr,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Pr +mp-541894,Pr2Co3Ge5,-5.975884683,-0.5756942660000001,0.000101967,0.000101967,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Ge-Pr,20.0,A3B5C2_oI40_72_aj_bfj_j:Co-Ge-Pr +mp-1079064,PrCoGe2,-5.9385885562,-0.6547687412000001,0.0,-0.0308502147,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Pr,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Pr +mp-1219941,Pr2CoGe3,-5.6270027433,-0.5371339317,0.1774752483,0.1774752483,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Co-Ge-Pr,6.0,AB3C2_hP6_187_a_bcd_i:Co-Ge-Pr +mp-1220027,Pr2Mn3CoGe4,-6.74653075,-0.4817020899,0.0086878217,0.0086878217,GGA,P-4m2,AB4C3D2_tP10_115_a_2g_bcd_g:Co-Ge-Mn-Pr,10.0,"Invalid WP multiplicities - AB4C3D2_tP10_115_a_4g_bcd_g:Co-Ge-Mn-Pr, expected Pr2Mn3CoGe8 to be Pr2Mn3CoGe4" +mp-20542,Pr(MnGe)2,-6.9271632400000005,-0.4569648302,0.0,-0.0295294304,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Pr,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Pr +mp-1219878,Pr2Mn4Co13,-7.2821469689,0.0135374528,0.0470390512,0.0470390512,GGA,R3m,A13B4C2_hR57_160_a2bc_ab_2a:Co-Mn-Pr,19.0,A13B4C2_hR57_160_a2bc_ab_2a:Co-Mn-Pr +mp-1232416,Pr2Mn12Co5,-8.0792777092,0.0811214481,0.1019203319,0.1019203319,GGA,P6_3/mmc,A5B12C2_hP38_194_fg_jk_bc:Co-Mn-Pr,38.0,A5B12C2_hP38_194_fg_jk_bc:Co-Mn-Pr +mp-1219809,PrMn5Co7,-7.6351181785,0.0840515739,0.1134144965,0.1134144965,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Co-Mn-Pr,13.0,A7B5C_oI26_44_2ab2c_be_a:Co-Mn-Pr +mp-4810,Pr(CoGe)2,-6.230837548,-0.582118137,0.0,-0.058303144,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Pr,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Pr +mp-567712,PrCoGe,-6.0975764767,-0.593492675,0.0,-0.0271100513,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Ge-Pr,6.0,ABC_tP6_129_a_c_c:Co-Ge-Pr +mp-1104566,Pr(MnCo2)4,-7.505469255399999,0.0557237664,0.0867512045,0.0867512045,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Co-Mn-Pr,13.0,A8B4C_tI26_139_ij_f_a:Co-Mn-Pr +mp-1219804,PrMnCoGe2,-6.565039388,-0.5055804776,0.0182345154,0.0182345154,GGA,I-4m2,AB2CD_tI10_119_a_f_b_c:Co-Ge-Mn-Pr,5.0,AB2CD_tI10_119_a_f_b_c:Co-Ge-Mn-Pr +mp-1018802,MnGaGe,-5.7202481283,-0.1158684051,0.0189438021,0.0189438021,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ga-Ge-Mn,6.0,ABC_tP6_129_c_c_a:Ga-Ge-Mn +mp-21378,HoMnGe,-6.6185606208,-0.4960766151,0.0785952282,0.0785952282,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Mn,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Mn +mp-1224458,Ho2Mn12GaGe11,-6.9652947219,-0.3118176576,0.0039230356,0.0039230356,GGA,P6mm,AB11C2D12_hP26_183_a_3a4b_2a_4c:Ga-Ge-Ho-Mn,26.0,"Invalid WP multiplicities - AB11C2D12_hP26_183_a_3a7b_2a_12c:Ga-Ge-Ho-Mn, expected Ho2Mn36GaGe17 to be Ho2Mn12GaGe11" +mp-1221938,Mn6GaGe,-7.8397070063,-0.0118050525,0.084089978,0.084089978,GGA,P-6m2,ABC6_hP8_187_a_d_jk:Ga-Ge-Mn,8.0,ABC6_hP8_187_a_d_jk:Ga-Ge-Mn +mp-5666,Ho(MnGe)2,-6.910491016,-0.4799919832,0.0,-0.0366364381,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Ho-Mn,5.0,A2BC2_tI10_139_e_a_d:Ge-Ho-Mn +mp-1104742,Ho(MnGe)6,-7.0369610969,-0.3221405006,0.0,-0.0619834046,GGA,P6/mmm,A6BC6_hP13_191_cde_a_i:Ge-Ho-Mn,13.0,A6BC6_hP13_191_cde_a_i:Ge-Ho-Mn +mp-1224357,Ho4MnGe8,-5.5164763223,-0.5567937368,0.0430953417,0.0430953417,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Mn,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Ho-Mn +mp-1224174,Ho3Mn3Ga2Ge,-6.1329759678,-0.3649212582,0.1107864,0.1107864,GGA,P-6,A2BC3D3_hP9_174_ad_e_k_j:Ga-Ge-Ho-Mn,9.0,A2BC3D3_hP9_174_ad_e_k_j:Ga-Ge-Ho-Mn +mp-1224233,Ho3Mn3Ga2Ge,-6.0957215,-0.3276667904,0.1480408678,0.1480408678,GGA,P-62m,A2BC3D3_hP9_189_c_b_g_f:Ga-Ge-Ho-Mn,9.0,A2BC3D3_hP9_189_c_b_g_f:Ga-Ge-Ho-Mn +mp-1224156,Ho2MnGe4,-5.7892551314,-0.5294059240000001,0.0545927846,0.0545927846,GGA,Amm2,A4B2C_oC14_38_2a2b_ab_a:Ge-Ho-Mn,7.0,A4B2C_oC14_38_2a2b_ab_a:Ge-Ho-Mn +mp-973141,ScCdCu2,-4.0614213425,-0.1979782913,0.0032541083,0.0032541083,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Cu-Sc,4.0,AB2C_cF16_225_a_c_b:Cd-Cu-Sc +mp-1179510,ScCdCu3Se4,-4.5105762667,-0.7842846238000001,0.0974806361,0.0974806361,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Sc-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Sc-Se +mp-1104166,Sc2CdSe4,-5.5977018921,-1.6589199092,0.0065835525,0.0065835525,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Sc-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-Sc-Se +mp-1219343,ScCuSe2,-5.7012005712,-1.3453258887,0.0,-0.0012976456,GGA,C2/m,ABC2_mC16_12_i_i_2i:Cu-Sc-Se,8.0,"Invalid WP multiplicities - ABC2_mC16_12_i_i_4i:Cu-Sc-Se, expected ScCuSe4 to be ScCuSe2" +mp-677055,ScCuSe2,-5.6994431794,-1.3435684968,0.0017573919,0.0004597462,GGA,P2_1/c,ABC2_mP32_14_2e_2e_4e:Cu-Sc-Se,32.0,"Invalid WP multiplicities - ABC2_mP32_14_7e_5e_9e:Cu-Sc-Se, expected Sc5Cu7Se9 to be ScCuSe2" +mp-1219312,ScCuSe2,-5.68746704,-1.3315923574,0.0137335312,0.0124358856,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Sc-Se,4.0,ABC2_hP4_156_a_b_ac:Cu-Sc-Se +mp-1219527,Sc(CuSe)3,-5.0171886643,-0.8574995860000001,0.0262476596,0.0262476596,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Sc-Se,14.0,A3BC3_hR42_148_f_c_f:Cu-Sc-Se +mp-20172,ErMnGe,-6.617785,-0.5001976810000001,0.0682674807,0.0682674807,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Mn,12.0,ABC_oP12_62_c_c_c:Er-Ge-Mn +mp-1225607,Er2MnGe4,-5.7704677629,-0.5148157154,0.0548081783,0.0548081783,GGA,Amm2,A2B4C_oC14_38_ab_2a2b_a:Er-Ge-Mn,7.0,A2B4C_oC14_38_ab_2a2b_a:Er-Ge-Mn +mp-1225525,Er2Mn3Ga,-6.6876571367,-0.0793938835,0.1522645009,0.1522645009,GGA,R-3m,A2BC3_hR18_166_c_a_d:Er-Ga-Mn,6.0,A2BC3_hR18_166_c_a_d:Er-Ga-Mn +mp-1225596,Er2Mn3Ga,-6.69368328,-0.0854200269,0.1462383576,0.1462383576,GGA,P6_3/mmc,A2BC3_hP12_194_f_a_h:Er-Ga-Mn,12.0,A2BC3_hP12_194_f_a_h:Er-Ga-Mn +mp-3453,Er(MnGe)6,-7.0372070738,-0.3235164821,0.0,-0.0652177769,GGA,P6/mmm,AB6C6_hP13_191_a_cde_i:Er-Ge-Mn,13.0,"Invalid WP multiplicities - AB6C6_hP13_191_a_cd2e_i:Er-Ge-Mn, expected Er(Mn3Ge4)2 to be Er(MnGe)6" +mp-1225802,Er3Mn3Ga2Ge,-6.1340001289,-0.370842106,0.1036397742,0.1036397742,GGA,P-6,A3B2CD3_hP9_174_k_ad_e_j:Er-Ga-Ge-Mn,9.0,A3B2CD3_hP9_174_k_ad_e_j:Er-Ga-Ge-Mn +mp-1225846,Er3Mn3Ga2Ge,-6.0963887911,-0.3332307682,0.141251112,0.141251112,GGA,P-62m,A3B2CD3_hP9_189_f_d_a_g:Er-Ga-Ge-Mn,9.0,A3B2CD3_hP9_189_f_d_a_g:Er-Ga-Ge-Mn +mp-1225815,Er4MnGe8,-5.5013230138,-0.5461604468,0.036343178,0.036343178,GGA,Pmm2,A4B8C_oP13_25_abcd_2a2b2c2d_a:Er-Ge-Mn,13.0,A4B8C_oP13_25_abcd_2a2b2c2d_a:Er-Ge-Mn +mp-1225474,Er12Ga9Ge11,-4.8618902162,-0.7081778310000001,0.0,-0.0059855937,GGA,Amm2,A12B9C11_oC64_38_abc2f_a4c_bcdef:Er-Ga-Ge,32.0,"Invalid WP multiplicities - A12B9C11_oC64_38_abc7f_a8c_bc2d2ef:Er-Ga-Ge, expected Er32Ga17Ge15 to be Er12Ga9Ge11" +mp-1213023,ErMnGa,-5.8657288861,-0.2797855113,0.1381288146,0.1381288146,GGA,Ima2,ABC_oI36_46_3b_bc_ac:Er-Ga-Mn,18.0,ABC_oI36_46_3b_bc_ac:Er-Ga-Mn +mp-1225789,ErMnGa,-5.7612063933,-0.1752630185,0.2426513074,0.2426513074,GGA,Ima2,ABC_oI36_46_3b_bc_ac:Er-Ga-Mn,18.0,ABC_oI36_46_3b_bc_ac:Er-Ga-Mn +mp-1188293,ErMnGa,-5.8701675844,-0.2842242096,0.1336901162,0.1336901162,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Ga-Mn,,ABC_hP9_189_f_ad_g:Er-Ga-Mn +mp-1213152,Er3Ga2Ge3,-4.9099181063,-0.7063641013,0.0,-0.0021814487,GGA,Cmcm,A3B2C3_oC32_63_ce_f_cg:Er-Ga-Ge,16.0,A3B2C3_oC32_63_ce_f_cg:Er-Ga-Ge +mp-1225658,Er2MnGa3,-5.03673048,-0.4731069834,0.0579263591,0.0579263591,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Er-Ga-Mn,6.0,A2B3C_mC12_8_2a_3a_a:Er-Ga-Mn +mp-4487,Er(MnGe)2,-6.902721188,-0.4751601672,0.0,-0.0340683189,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Er-Ge-Mn +mp-1225156,Er(MnGa)6,-6.0755440715,-0.097975864,0.1290833603,0.1290833603,GGA,Fmmm,AB6C6_oF52_69_a_dm_em:Er-Ga-Mn,13.0,AB6C6_oF52_69_a_dm_em:Er-Ga-Mn +mp-569456,TiHg6As4Br7,-2.8901754644,-0.7109951235,0.0131063856,0.0131063856,GGA,Pa-3,A4B7C6D_cP72_205_2c_ad_d_b:As-Br-Hg-Ti,72.0,"Invalid WP multiplicities - A4B7C6D_cP72_205_6c_4a5d_d_b:As-Br-Hg-Ti, expected TiHg6(As6Br17)2 to be TiHg6As4Br7" +mp-1224639,GdAlZnGe2,-6.11076426,-0.445264782,0.0,-0.0151637548,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Al-Gd-Ge-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Al-Gd-Ge-Zn +mp-1018704,GdAlZn,-6.811104595,-0.450624035,0.0103422042,0.0103422042,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Gd-Zn,6.0,ABC_hP6_194_c_a_d:Al-Gd-Zn +mp-1224592,GdZnGe,-7.29906681,-0.6461022417,0.0303132575,-0.0375746608,GGA,P-6m2,ABC_hP3_187_b_c_e:Gd-Ge-Zn,3.0,ABC_hP3_187_b_c_e:Gd-Ge-Zn +mp-13159,GdZnGe,-7.3293800675,-0.6764154992,0.0,-0.0678879183,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Gd-Ge-Zn,12.0,ABC_hP12_194_ab_f_f:Gd-Ge-Zn +mp-1184427,Gd2AlZn,-8.673604165,-0.384213185,0.0051051919,0.0051051919,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Gd-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Gd-Zn +mp-582406,Gd2(Zn2Ge)3,-4.9048915927,-0.3976379832,0.0,-0.0115205147,GGA,P-62m,A2B3C6_hP11_189_c_g_fg:Gd-Ge-Zn,11.0,"Invalid WP multiplicities - A2B3C6_hP11_189_c_g_2f3g:Gd-Ge-Zn, expected Gd2(Zn5Ge)3 to be Gd2(Zn2Ge)3" +mp-1181470,Gd2(Zn2Ge)3,-4.7018060709,-0.1945524614,0.2030855218,0.1915650072,GGA,P-62m,A2B3C6_hP11_189_c_g_fg:Gd-Ge-Zn,11.0,"Invalid WP multiplicities - A2B3C6_hP11_189_c_g_2f2g:Gd-Ge-Zn, expected Gd2(Zn4Ge)3 to be Gd2(Zn2Ge)3" +mp-1212534,Gd3Zn5Ge,-6.3115900400000005,-0.4060219706,0.0800709981,0.0800709981,GGA,P-62m,A3BC5_hP9_189_f_a_dg:Gd-Ge-Zn,9.0,A3BC5_hP9_189_f_a_dg:Gd-Ge-Zn +mp-1223937,In2CuAsSe2,-4.0539596333,-0.5117070516000001,0.0102557375,0.0102557375,GGA,I-4m2,ABC2D2_tI12_119_a_c_f_e:As-Cu-In-Se,6.0,ABC2D2_tI12_119_a_c_f_e:As-Cu-In-Se +mp-574367,CuAsSe,-4.3657883508,-0.2810428333,0.0054797275,-0.0210682414,GGA,Pbcn,ABC_oP72_60_3d_3d_3d:As-Cu-Se,72.0,"Invalid WP multiplicities - ABC_oP72_60_17d_18d_18d:As-Cu-Se, expected Cu18As17Se18 to be CuAsSe" +mp-1102382,CuAsSe,-4.3712680783,-0.2865225608,0.0,-0.0265479689,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cu-Se,12.0,ABC_oP12_62_c_c_c:As-Cu-Se +mp-675626,Cu3AsSe4,-4.2512590812,-0.3837110405,0.0,-0.0228856756,GGA,I-42m,AB3C4_tI16_121_a_bd_i:As-Cu-Se,8.0,AB3C4_tI16_121_a_bd_i:As-Cu-Se +mp-1224106,In3Cu(AsSe)2,-4.025069605,-0.4420299018,0.0066078219,0.0066078219,GGA,P-4m2,A2BC3D2_tP8_115_g_b_ce_g:As-Cu-In-Se,8.0,"Invalid WP multiplicities - A2BC3D2_tP8_115_g_b_c2e_g:As-Cu-In-Se, expected In5Cu(AsSe)2 to be In3Cu(AsSe)2" +mp-540665,Cu7As6Se13,-4.2204298377,-0.2936603635,0.0793145983,0.0793145983,GGA,R3,A6B7C13_hR78_146_2b_a2b_a4b:As-Cu-Se,26.0,A6B7C13_hR78_146_2b_a2b_a4b:As-Cu-Se +mp-1225674,CuAsSe2,-4.192610915,-0.2550739074,0.11594904,0.11594904,GGA,P-4m2,ABC2_tP4_115_a_c_g:As-Cu-Se,4.0,ABC2_tP4_115_a_c_g:As-Cu-Se +mp-33975,CuAsSe2,-4.1732125675,-0.2356755599,0.1353473875,0.1353473875,GGA,I-42d,ABC2_tI16_122_a_b_d:As-Cu-Se,8.0,ABC2_tI16_122_a_b_d:As-Cu-Se +mp-29643,CuAsSe2,-4.199596205,-0.2620591974,0.10896375,0.10896375,GGA,R3m,ABC2_hR12_160_a_a_2a:As-Cu-Se,4.0,ABC2_hR12_160_a_a_2a:As-Cu-Se +mp-1228980,AlCuGeSe4,-4.5218678371,-0.7430883706,0.0,-0.002511737,GGA,I-4,ABCD4_tI14_82_c_a_b_g:Al-Cu-Ge-Se,7.0,ABCD4_tI14_82_c_a_b_g:Al-Cu-Ge-Se +mp-570021,Ti6Tl5AgSe27,-4.9671923436,-0.9567222479,0.0,-0.094483875,GGA,P31c,AB27C6D5_hP78_159_a_9c_2c_2bc:Ag-Se-Ti-Tl,78.0,"Invalid WP multiplicities - AB27C6D5_hP78_159_a_50c_7c_4b4c:Ag-Se-Ti-Tl, expected Ti21Tl16AgSe150 to be Ti6Tl5AgSe27" +mp-540940,Ti(TlSe)4,-4.3663819383,-0.8853029923,0.0,-0.0964569391,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:Se-Ti-Tl,36.0,A4BC4_mP36_14_4e_e_4e:Se-Ti-Tl +mp-685442,Tl18Ag59Se39,-3.268976211,-0.2863130346,0.0211709398,0.0211709398,GGA,P3,A59B39C18_hP116_143_2a3b18d_3c12d_6d:Ag-Se-Tl,116.0,"Invalid WP multiplicities - A59B39C18_hP116_143_2a3b54d_3c36d_18d:Ag-Se-Tl, expected Tl54Ag167Se111 to be Tl18Ag59Se39" +mp-29238,TlAgSe,-3.2985159558,-0.4014790799,0.0,-0.0389105438,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Se-Tl,12.0,ABC_oP12_62_c_c_c:Ag-Se-Tl +mp-1021670,TiAgSe2,-5.376147765,-0.9461800212,0.1235787008,0.1235787008,GGA,R3m,AB2C_hR12_160_a_2a_a:Ag-Se-Ti,4.0,AB2C_hR12_160_a_2a_a:Ag-Se-Ti +mp-8244,Ti5TlSe8,-6.3628110414,-1.3765685378,0.0,-0.0014962881,GGA,C2/m,A8B5C_mC28_12_4i_a2i_d:Se-Ti-Tl,14.0,"Invalid WP multiplicities - A8B5C_mC28_12_5i_a3i_c:Se-Ti-Tl, expected Ti7TlSe10 to be Ti5TlSe8" +mp-27944,TlAgSe2,-3.2090038358,-0.1622483095,0.2289469529,0.2289469529,GGA,P6_3/mcm,AB2C_hP24_193_g_i_ac:Ag-Se-Tl,24.0,AB2C_hP24_193_g_i_ac:Ag-Se-Tl +mp-1213827,Ce8GePd24,-6.1431676673,-0.7975644995000001,0.0274768543,0.0274768543,GGA,Pm-3m,A8BC24_cP33_221_g_a_efh:Ce-Ge-Pd,33.0,A8BC24_cP33_221_g_a_efh:Ce-Ge-Pd +mp-21689,CeGe3Pd5,-5.7734761411,-0.6955226111,0.0,-0.0175192193,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Ce-Ge-Pd,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_11c_15c:Ce-Ge-Pd, expected CeGe11Pd15 to be CeGe3Pd5" +mp-680221,Ce3Ge5Pd14,-5.8650334758,-0.7089992903,0.0032989181,0.0032989181,GGA,Pnma,A3B5C14_oP88_62_3c_c2d_4c5d:Ce-Ge-Pd,88.0,"Invalid WP multiplicities - A3B5C14_oP88_62_8c_4c10d_16c35d:Ce-Ge-Pd, expected Ce4Ge12Pd43 to be Ce3Ge5Pd14" +mp-1188948,CeGePd2,-6.0419012944,-0.8129311369000001,0.0206062245,0.0206062245,GGA,Pnma,ABC2_oP16_62_c_c_d:Ce-Ge-Pd,16.0,ABC2_oP16_62_c_c_d:Ce-Ge-Pd +mp-672275,Ce3(Ge3Pd10)2,-5.7872909134,-0.6447022653000001,0.0175491128,0.0175491128,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Ce-Ge-Pd,29.0,"Invalid WP multiplicities - A3B6C20_cF116_225_ac_e_6f5h:Ce-Ge-Pd, expected Ce(GePd18)2 to be Ce3(Ge3Pd10)2" +mp-1226579,CeSiGe,-5.909175875,-0.5820308617000001,0.0296190764,0.0296190764,GGA,Imma,ABC_oI12_74_e_e_e:Ce-Ge-Si,,ABC_oI12_74_e_e_e:Ce-Ge-Si +mp-1206173,CeSiGe,-5.88910921,-0.5619641967,0.0496857414,0.0496857414,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Ge-Si,6.0,ABC_tI12_109_a_a_a:Ce-Ge-Si +mp-1207253,Ce2Ge6Pd,-5.4820135822000005,-0.5059883322000001,0.0193621471,0.0193621471,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Pd,9.0,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Pd +mp-1226615,CeGePd,-6.0712096717,-0.8258767317,0.0823883106,-0.0481332997,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Ge-Pd,6.0,ABC_mC12_12_i_i_i:Ce-Ge-Pd +mp-21647,CeGePd,-6.1535979822,-0.9082650422,0.0,-0.1305216102,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Ce-Ge-Pd,36.0,ABC_oP36_62_3c_3c_3c:Ce-Ge-Pd +mp-13467,Ce(GePd)2,-5.897549426,-0.789767729,0.0,-0.0603424327,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Pd,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Pd +mp-1227601,Ce5Ge2Pd,-6.0396004706,-0.5281775588000001,0.0490681946,0.0490681946,GGA,Amm2,A5B2C_oC32_38_abdef_abd_e:Ce-Ge-Pd,16.0,A5B2C_oC32_38_abdef_abd_e:Ce-Ge-Pd +mp-1213902,Ce5Ge2Pd,-6.0297221744,-0.5182992625,0.0589464908,0.0589464908,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Ce-Ge-Pd,16.0,A5B2C_tI32_140_cl_h_a:Ce-Ge-Pd +mp-1226899,Ce2SiGe,-6.1546889162,-0.6760578675000001,0.0,-0.0077061363,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Ce-Ge-Si,8.0,A2BC_oP8_26_ab_a_b:Ce-Ge-Si +mp-1226545,CeSiGePd2,-6.119350014,-0.851110282,0.0,-0.01537147,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Ce-Ge-Pd-Si,5.0,ABC2D_tI10_107_a_a_b_a:Ce-Ge-Pd-Si +mp-683992,Ce7(GePd2)2,-5.9694449842,-0.4696598277,0.2006343374,0.2006343374,GGA,P2_1/c,A7B2C4_mP52_14_7e_2e_4e:Ce-Ge-Pd,52.0,"Invalid WP multiplicities - A7B2C4_mP52_14_25e_6e_11e:Ce-Ge-Pd, expected Ce25Ge6Pd11 to be Ce7(GePd2)2" +mp-571098,Lu(FeSi)2,-7.10583303,-0.64350723,0.0,-0.0702006125,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Lu-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Lu-Si +mp-541557,Lu2Fe3Si5,-6.81328305,-0.655427568,0.0,-0.062154287,GGA,P4/mnc,A3B2C5_tP40_128_dh_h_egh:Fe-Lu-Si,40.0,A3B2C5_tP40_128_dh_h_egh:Fe-Lu-Si +mp-1222445,LuAl3Fe7Si2,-6.8563550231,-0.2487809815,0.1605003192,0.1605003192,GGA,Cm,A3B7CD2_mC26_8_3a_5ab_a_b:Al-Fe-Lu-Si,13.0,A3B7CD2_mC26_8_3a_5ab_a_b:Al-Fe-Lu-Si +mp-1210813,Lu3Fe2Si3,-6.527931845,-0.6805758362000001,0.0,-0.0403794471,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Lu-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Lu-Si +mp-567229,LuAlSi,-5.1273295383,-0.5633814117,0.0,-0.0099507133,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Lu-Si,6.0,ABC_oC12_63_a_c_c:Al-Lu-Si +mp-1222427,Lu2Fe4Si9,-6.3948753633,-0.27821882,0.2406609293,0.2406609293,GGA,P-3m1,A4B2C9_hP15_164_2d_d_a2c2d:Fe-Lu-Si,15.0,A4B2C9_hP15_164_2d_d_a2c2d:Fe-Lu-Si +mp-1222470,LuAl7Fe5,-6.0204794754,-0.3981650615,0.0,-0.0129085829,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Lu,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Lu +mp-1222439,Lu(Fe5Si)2,-7.8796999638,-0.1818692962,0.0670646015,0.0656334846,GGA,Fmmm,A10BC2_oF52_69_c2n_a_e:Fe-Lu-Si,13.0,A10BC2_oF52_69_c2n_a_e:Fe-Lu-Si +mp-1222514,Lu(Fe5Si)2,-7.9467645654,-0.2489338977,0.0,-0.0014311169,GGA,Immm,A10BC2_oI26_71_efgk_a_h:Fe-Lu-Si,13.0,A10BC2_oI26_71_efgk_a_h:Fe-Lu-Si +mp-11037,Lu(Al2Fe)4,-5.6867886838,-0.4278931454,0.0,-0.043146259,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Lu,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_2ij_f_a:Al-Fe-Lu, expected Lu(Al3Fe)4 to be Lu(Al2Fe)4" +mp-1222342,Lu2Al3Fe,-5.2071755983,-0.415733975,0.0002121658,0.0002121658,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Fe-Lu,6.0,A3BC2_hR18_166_d_a_c:Al-Fe-Lu +mp-1222387,LuAlFe,-5.9186874667,-0.33983828,0.0097522817,-0.0043314672,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Lu,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Lu, expected Lu3(AlFe)2 to be LuAlFe" +mp-1222488,LuAlFe,-5.9284397483,-0.3495905617,0.0,-0.0140837489,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Lu,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Lu, expected Lu3(AlFe)2 to be LuAlFe" +mp-1210893,Lu(Al5Fe)2,-4.8745065569,-0.3424487692,0.0,-0.0052883423,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Lu,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Lu +mp-10531,Lu2AlSi2,-5.391739424,-0.664116838,0.0,-0.020429715,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Lu-Si,5.0,AB2C2_oI10_71_a_f_h:Al-Lu-Si +mp-568804,Hg9Bi2(AsBr3)4,-2.4712319345,-0.7050498929,0.0,-0.0091757647,GGA,P4_3,A4B2C12D9_tP108_78_4a_2a_12a_9a:As-Bi-Br-Hg,108.0,"Invalid WP multiplicities - A4B2C12D9_tP108_78_15a_5a_45a_34a:As-Bi-Br-Hg, expected Hg34Bi5(AsBr3)15 to be Hg9Bi2(AsBr3)4" +mp-1213326,CsTm(NbBr3)6,-5.1821209419,-1.5692910198,0.0,-0.0303368651,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Tm,52.0,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Tm +mp-1206103,CsTmBr3,-3.945766732,-1.9397021749,0.1219603709,0.1219603709,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:Br-Cs-Tm,10.0,A3BC_tP10_127_bg_c_a:Br-Cs-Tm +mp-1209127,RbTmBr3,-3.9128281845,-1.8897372873,0.1622041384,0.1622041384,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Rb-Tm,20.0,A3BC_oP20_62_cd_c_a:Br-Rb-Tm +mp-569531,Rb2CuBr3,-3.3616074,-1.5750474325,0.0052054758,0.0052054758,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Br-Cu-Rb,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_7c_c_5c:Br-Cu-Rb, expected Rb5CuBr7 to be Rb2CuBr3" +mp-1209342,Rb5Tm3Br12,-3.930137762,-2.0818119324,0.0242186369,0.0242186369,GGA,P-62m,A12B5C3_hP20_189_2fk_cf_g:Br-Rb-Tm,20.0,A12B5C3_hP20_189_2fk_cf_g:Br-Rb-Tm +mp-567644,RbCu2Br3,-3.3962990717,-1.0899603379,0.0,-0.0226509592,GGA,Cmcm,A3B2C_oC24_63_cg_e_c:Br-Cu-Rb,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_2c3g_e_c:Br-Cu-Rb, expected Rb(CuBr4)2 to be RbCu2Br3" +mp-998196,RbCuBr3,-3.198902856,-1.2511377095,0.013992916,0.013992916,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Br-Cu-Rb,5.0,A3BC_cP5_221_c_b_a:Br-Cu-Rb +mp-623862,Rb3Tm2Cu4Br13,-3.8484047818,-1.6447925984,0.0,-0.02768062,GGA,Pn-3,A13B4C3D2_cP44_201_ah_e_d_b:Br-Cu-Rb-Tm,44.0,"Invalid WP multiplicities - A13B4C3D2_cP44_201_2a3h_e_d_b:Br-Cu-Rb-Tm, expected Rb3Tm2(Cu2Br19)2 to be Rb3Tm2Cu4Br13" +mp-1111035,Rb2LuCuCl6,-4.304841748,-2.1375972185,0.0336773713,0.0336773713,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Lu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Lu-Rb +mp-1110802,Rb2TaAgBr6,-3.972614255,-1.3756570792,0.1663738903,0.1663738903,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Ta +mp-28269,Cs2SbBr6,-3.2792581456,-1.5861497051,0.0,-0.0210005625,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Sb,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Sb +mp-579560,Cs3Sb2Br9,-3.3795950107,-1.5994903988,0.0,-0.0699888975,GGA,P-3m1,A9B3C2_hP14_164_ei_ad_d:Br-Cs-Sb,14.0,"Invalid WP multiplicities - A9B3C2_hP14_164_2e2i_ad_d:Br-Cs-Sb, expected Cs3(SbBr9)2 to be Cs3Sb2Br9" +mp-1112952,Cs3SbBr6,-3.307693791,-1.6943559574,0.0537418055,0.0537418055,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-Sb,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-Sb +mp-1113393,Cs2SbAuBr6,-3.21874056,-1.3675547636,0.0700108022,0.0700108022,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Sb +mp-1110668,Rb2LiMoCl6,-4.452588703,-1.8719025948,0.0246130985,0.0246130985,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Mo-Rb +mp-1209508,RbMo3Cl7,-5.7481146423,-1.5247290948,0.0,-0.016761355,GGA,C2/c,A7B3C_mC88_15_7f_3f_ae:Cl-Mo-Rb,44.0,A7B3C_mC88_15_7f_3f_ae:Cl-Mo-Rb +mp-1219757,Rb3(MoCl4)2,-4.6676827869,-1.6352831163,0.1551126578,0.1551126578,GGA,Ama2,A8B2C3_oC52_40_2b3c_c_bc:Cl-Mo-Rb,26.0,"Invalid WP multiplicities - A8B2C3_oC52_40_3b11c_c_bc:Cl-Mo-Rb, expected Rb3Mo2Cl25 to be Rb3(MoCl4)2" +mp-29458,Rb3Mo2Cl9,-4.7259002914,-1.7780622645,0.0,-0.0537682329,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Cl-Mo-Rb,28.0,"Invalid WP multiplicities - A9B2C3_hP28_194_h2k_f_bf:Cl-Mo-Rb, expected Rb3Mo2Cl15 to be Rb3Mo2Cl9" +mp-10480,CsAg5Se3,-3.3163349547,-0.4778997523,0.0,-0.0099371364,GGA,P4_2/mnm,A5BC3_tP36_136_g2i_f_fi:Ag-Cs-Se,36.0,A5BC3_tP36_136_g2i_f_fi:Ag-Cs-Se +mp-16234,CsAg3Se2,-3.3204985142,-0.5896829579,0.0,-0.0390323766,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Cs-Se,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_5i_i_2i:Ag-Cs-Se, expected CsAg5Se2 to be CsAg3Se2" +mp-18105,CsAgSe4,-3.6685954087,-0.7166613611,0.0,-0.0139747663,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Ag-Cs-Se,24.0,ABC4_oP24_19_a_a_4a:Ag-Cs-Se +mp-979271,TbAgSe2,-5.0184492712,-1.4037630066,0.0303917599,0.0303917599,GGA,I4_1md,AB2C_tI16_109_a_2a_a:Ag-Se-Tb,8.0,AB2C_tI16_141_a_e_b:Ag-Se-Tb +mp-542164,CsTb2Ag3Se5,-4.6247383959,-1.3391602168,0.0,-0.0379783234,GGA,Cmcm,A3BC5D2_oC44_63_cf_c_c2f_f:Ag-Cs-Se-Tb,22.0,A3BC5D2_oC44_63_cf_c_c2f_f:Ag-Cs-Se-Tb +mp-1113553,Cs2GaAgBr6,-3.176355929,-1.479393254,0.0842760814,0.0842760814,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Ga,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Ga +mp-1110690,Rb2CuBiCl6,-3.741118752,-1.6419203615,0.0,-0.0236446127,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-Rb +mp-1212052,In2Hg5Te8,-2.590679262,-0.4461314999,0.0064573587,0.0064573587,GGA,I-4m2,A5B2C8_tI30_119_ah_f_2i:Hg-In-Te,15.0,A5B2C8_tI30_119_ah_f_2i:Hg-In-Te +mp-1223652,InHgTe2,-2.6980249575,-0.3625309871,0.1066130069,0.1066130069,GGA,R3m,ABC2_hR12_160_a_a_2a:Hg-In-Te,4.0,ABC2_hR12_160_a_a_2a:Hg-In-Te +mp-1223986,In2(HgTe2)3,-2.7702311282,-0.4725725905,0.0066085382,0.0066085382,GGA,C2,A3B2C6_mC22_5_ac_c_3c:Hg-In-Te,,"Invalid WP multiplicities - A3B2C6_mC22_5_a2c_c_5c:Hg-In-Te, expected In2(HgTe2)5 to be In2(HgTe2)3" +mp-690571,In2(HgTe2)3,-2.5231775941,-0.2255190564,0.2536620723,0.2536620723,GGA,Cm,A3B2C6_mC44_8_6a_4a_12a:Hg-In-Te,22.0,A3B2C6_mC44_8_6a_4a_12a:Hg-In-Te +mp-1224083,In3Ag3(HgTe4)2,-3.1231532256,-0.4664952833,0.0014708206,0.0014708206,GGA,P-4,A3B2C3D8_tP16_81_ag_bd_cg_2h:Ag-Hg-In-Te,16.0,"Invalid WP multiplicities - A3B2C3D8_tP16_81_ag_bd_cg_7h:Ag-Hg-In-Te, expected In3Ag3(HgTe14)2 to be In3Ag3(HgTe4)2" +mp-19765,In2HgTe4,-3.1619176214,-0.5361645645,0.0,-0.0232116462,GGA,I-4,AB2C4_tI14_82_a_bc_g:Hg-In-Te,7.0,AB2C4_tI14_82_a_bc_g:Hg-In-Te +mp-37888,In2HgTe4,-2.9492737529,-0.323520696,0.2126438686,0.1894322224,GGA,I-4m2,AB2C4_tI14_119_a_bc_ef:Hg-In-Te,7.0,"Invalid WP multiplicities - AB2C4_tI14_119_a_bc_2e2f:Hg-In-Te, expected In2HgTe8 to be In2HgTe4" +mp-22605,Cr2CdSe4,-5.7202819564,-0.8327632978,0.0,-0.0094252814,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Cr-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-Cr-Se +mp-3532,CrAgSe2,-5.4680251925,-0.5986685853,0.0,-0.0033213898,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-Se,4.0,ABC2_hR12_160_a_a_2a:Ag-Cr-Se +mp-570708,CrAgSe2,-5.2995352175,-0.4301786103,0.168489975,0.1651685852,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-Se,4.0,ABC2_hR12_160_a_a_2a:Ag-Cr-Se +mp-1226280,Cr4CdAgSe8,-5.7903899971,-0.7664666068,0.0,-0.0133033555,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Ag-Cd-Cr-Se,14.0,ABC4D8_cF56_216_a_c_e_2e:Ag-Cd-Cr-Se +mp-638590,MnTl2GeTe4,-4.2909746738,-0.405530547,0.0053328215,0.0053328215,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Ge-Mn-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Ge-Mn-Te-Tl +mp-17217,Tl3GeTe3,-3.4585829793,-0.4384579829,0.0,-0.0255121213,GGA,P-1,AB3C3_aP28_2_2i_6i_6i:Ge-Te-Tl,28.0,"Invalid WP multiplicities - AB3C3_aP28_2_3i_9i_6i:Ge-Te-Tl, expected Tl2GeTe3 to be Tl3GeTe3" +mp-28639,Tl2GeTe5,-3.5467154797,-0.4136100278,0.0,-0.0579558693,GGA,P4/mbm,AB5C2_tP32_127_f_fghk_2e:Ge-Te-Tl,32.0,"Invalid WP multiplicities - AB5C2_tP32_127_f_f2g2hk_2e:Ge-Te-Tl, expected Tl2GeTe7 to be Tl2GeTe5" +mp-29034,Tl2GeTe3,-3.5512933542000003,-0.4215880494,0.0,-0.0026826005,GGA,Pnma,AB3C2_oP48_62_d_2c2d_2d:Ge-Te-Tl,48.0,AB3C2_oP48_62_d_2c2d_2d:Ge-Te-Tl +mp-1221610,MnGeTe2,-5.28248754,-0.2645738066,0.0592203967,0.0592203967,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ge-Mn-Te,4.0,ABC2_tP4_123_a_d_bc:Ge-Mn-Te +mp-1221803,MnGeTe2,-5.1498662225,-0.1319524891,0.1918417142,0.1918417142,GGA,R-3m,ABC2_hR12_166_a_b_c:Ge-Mn-Te,4.0,ABC2_hR12_166_a_b_c:Ge-Mn-Te +mp-541963,Rb3(FeSe2)2,-4.7154714119,-0.952661351,0.0,-0.0201308323,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Rb-Se,36.0,"Invalid WP multiplicities - A2B3C4_oP36_62_d_4c3d_5c2d:Fe-Rb-Se, expected Rb10Fe2Se9 to be Rb3(FeSe2)2" +mp-1207255,Tl2FeSe2,-3.605439718,0.4319863737,0.9218320934,0.9218320934,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Fe-Se-Tl,5.0,AB2C2_tI10_139_a_e_d:Fe-Se-Tl +mp-9810,TlFeSe2,-4.9628788862,-0.5067570583000001,0.0511034806,0.0511034806,GGA,C2/m,AB2C_mC16_12_g_2i_i:Fe-Se-Tl,8.0,AB2C_mC16_12_g_2i_i:Fe-Se-Tl +mp-998918,TlFeSe2,-4.8569098075,-0.4007879795,0.1570725594,0.1570725594,GGA,I-4m2,AB2C_tI8_119_c_e_a:Fe-Se-Tl,4.0,AB2C_tI8_119_c_e_a:Fe-Se-Tl +mp-14892,Rb9Fe2Se7,-3.7350988499,-0.9441972156,0.1357774844,0.1357774844,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-Rb-Se,72.0,"Invalid WP multiplicities - A2B9C7_cP72_198_3a_4a4b_a7b:Fe-Rb-Se, expected Rb16Fe3Se22 to be Rb9Fe2Se7" +mp-1101014,Tl2Fe3Se4,-5.3328617167,-0.4307510684,0.0671271141,0.0671271141,GGA,P-1,A3B4C2_aP18_2_3i_4i_bci:Fe-Se-Tl,18.0,"Invalid WP multiplicities - A3B4C2_aP18_2_4i_6i_bc2i:Fe-Se-Tl, expected Tl3(Fe2Se3)2 to be Tl2Fe3Se4" +mp-675391,Tl2Fe3Se4,-5.3143937839,-0.4122831357,0.0855950469,0.0855950469,GGA,P2/c,A3B4C2_mP18_13_fg_2g_ae:Fe-Se-Tl,18.0,"Invalid WP multiplicities - A3B4C2_mP18_13_2f2g_5g_2a2e:Fe-Se-Tl, expected Tl2Fe3Se5 to be Tl2Fe3Se4" +mp-1216741,Tl2Fe3Se4,-5.3083429611,-0.4062323129,0.0916458697,0.0916458697,GGA,C222,A3B4C2_oC18_21_abc_l_k:Fe-Se-Tl,9.0,A3B4C2_oC18_21_abc_l_k:Fe-Se-Tl +mp-15120,RbFe2Se3,-5.4769526758,-0.7422341883,0.0248919225,0.0248919225,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Fe-Rb-Se,12.0,"Invalid WP multiplicities - A2BC3_oC24_63_e_c_c2g:Fe-Rb-Se, expected RbFe2Se5 to be RbFe2Se3" +mp-3021,Tl(FeSe)2,-5.675292386,-0.4163906816,0.0316996827,0.0316996827,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Se-Tl,5.0,A2B2C_tI10_139_d_e_a:Fe-Se-Tl +mp-1219594,RbTl(FeSe)8,-6.0313553278,-0.5274309544,0.0220535485,0.0220535485,GGA,I-4m2,A8BC8D_tI36_119_j_a_2e2f_c:Fe-Rb-Se-Tl,18.0,"Invalid WP multiplicities - A8BC8D_tI36_119_j_a_4e4f_c:Fe-Rb-Se-Tl, expected RbTl(FeSe2)8 to be RbTl(FeSe)8" +mp-7086,RbFeSe2,-5.007324345,-0.8967297855,0.0,-0.0148045323,GGA,C2/c,ABC2_mC16_15_e_e_f:Fe-Rb-Se,8.0,ABC2_mC16_15_e_e_f:Fe-Rb-Se +mp-1113319,Rb2HgAsCl6,-3.2888931660000003,-1.4873844785,0.0516409813,0.0516409813,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-Rb +mp-1224429,Hg15(As2Cl3)4,-2.4016966303,-0.572822555,0.0102416581,0.0102416581,GGA,P2_1/c,A8B12C15_mP70_14_4e_6e_abc6e:As-Cl-Hg,70.0,"Invalid WP multiplicities - A8B12C15_mP70_14_8e_18e_abc18e:As-Cl-Hg, expected Hg39(As4Cl9)4 to be Hg15(As2Cl3)4" +mp-685427,Hg15(As2Cl3)4,-2.401078055,-0.5722039797,0.0108602334,0.0108602334,GGA,Pna2_1,A8B12C15_oP140_33_8a_12a_15a:As-Cl-Hg,140.0,"Invalid WP multiplicities - A8B12C15_oP140_33_31a_48a_55a:As-Cl-Hg, expected Hg55As31Cl48 to be Hg15(As2Cl3)4" +mp-28224,Hg2AsCl2,-2.4477875855,-0.6550770945000001,0.0251644875,0.0251644875,GGA,C2/m,AB2C2_mC40_12_2i_2ij_2ij:As-Cl-Hg,20.0,AB2C2_mC40_12_2i_2ij_2ij:As-Cl-Hg +mp-1110695,Rb3AsCl6,-3.655544531,-1.7863504727,0.0315890943,0.0315890943,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Cl-Rb,10.0,AB6C3_cF40_225_a_e_bc:As-Cl-Rb +mp-1181785,CoCu3HgSe4,-4.0474742222,-0.3037782133,0.0881905612,0.0881905612,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Hg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Hg-Se +mp-985285,CoHg3,-1.5306633125,0.47417641,0.47417641,0.47417641,GGA,Pm-3m,AB3_cP4_221_a_c:Co-Hg,4.0,AB3_cP4_221_a_c:Co-Hg +mp-1112490,Cs2TlInCl6,-3.652978592,-1.8533434339,0.0,-0.0047959165,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Tl +mp-1173830,Na6GaAs3,-2.9081594295,-0.4140991297,0.0,-0.0058104602,GGA,P1,A3BC6_aP40_1_12a_4a_24a:As-Ga-Na,40.0,A3BC6_aP40_1_12a_4a_24a:As-Ga-Na +mp-977182,NaNb3,-7.16633169,0.7402784134,0.7402784134,0.7402784134,GGA,Fm-3m,AB3_cF16_225_a_bc:Na-Nb,4.0,AB3_cF16_225_a_bc:Na-Nb +mp-1221463,Na10NbGaAs6,-3.4905222144,-0.4733353018,0.0,-0.0331500525,GGA,Pc,A6BC10D_mP36_7_6a_a_10a_a:As-Ga-Na-Nb,36.0,A6BC10D_mP36_7_6a_a_10a_a:As-Ga-Na-Nb +mp-15431,Na2Ga2As3,-3.6496506316,-0.4098509392,0.0,-0.0304533887,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:As-Ga-Na,56.0,A3B2C2_mP56_14_6e_4e_4e:As-Ga-Na +mp-1186053,Na3Nb,-2.5364615775,0.9807586526,0.9807586526,0.9807586526,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Nb,4.0,A3B_tI8_139_ad_b:Na-Nb +mp-1102015,ThTlCuSe3,-5.3703389958,-1.3097652459,0.0,-0.0854290251,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cu-Se-Th-Tl,12.0,AB3CD_oC24_63_c_cf_a_c:Cu-Se-Th-Tl +mp-1188304,Ba2SmInSe5,-5.0787563089,-1.8801144052,0.004287914,0.004287914,GGA,Cmc2_1,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Sm,18.0,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Sm +mp-1193757,Ba(SmSe2)2,-5.856283885,-2.2363134392,0.0,-0.0326002182,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Se-Sm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-Se-Sm +mp-1183309,BaSm3,-3.8093246725,0.2093586637,0.2093586637,0.2093586637,GGA,Pm-3m,AB3_cP4_221_a_c:Ba-Sm,4.0,AB3_cP4_221_a_c:Ba-Sm +mp-21562,Sm3InSe6,-5.610991782,-1.8227006819,0.006529177,0.006529177,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:In-Se-Sm,40.0,AB6C3_oP40_58_ac_6g_3g:In-Se-Sm +mp-1183353,Ba3Sm,-2.40685652,0.2120212188,0.2120212188,0.2120212188,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Sm,4.0,A3B_tI8_139_ad_b:Ba-Sm +mp-1183357,Ba3Sm,-2.42163681,0.1972409288,0.1972409288,0.1972409288,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Sm,8.0,A3B_hP8_194_h_c:Ba-Sm +mp-1183317,Ba3Sm,-2.41797072,0.2009070188,0.2009070188,0.2009070188,GGA,Pm-3m,A3B_cP4_221_c_a:Ba-Sm,4.0,A3B_cP4_221_c_a:Ba-Sm +mp-31075,Hg3(SeBr)2,-2.2449069957,-0.6722040371,0.0,-0.058397319,GGA,C2/m,A2B3C2_mC56_12_4i_eg2ij_2j:Br-Hg-Se,28.0,"Invalid WP multiplicities - A2B3C2_mC56_12_5i_eh2ij_3j:Br-Hg-Se, expected Hg6Se6Br5 to be Hg3(SeBr)2" +mp-567720,CuHgSeBr,-2.91666178,-0.5537050693000001,0.0042542428,0.0042542428,GGA,Pmma,ABCD_oP16_51_2f_j_ae_i:Br-Cu-Hg-Se,16.0,"Invalid WP multiplicities - ABCD_oP16_51_2f_j_2a2e_i:Br-Cu-Hg-Se, expected CuHg2SeBr to be CuHgSeBr" +mp-1200935,Ba2GaSbTe5,-4.13999613,-1.1720431734,0.0011941656,0.0011941656,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Ga-Sb-Te,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Ga-Sb-Te +mp-18291,BaSbTe3,-4.136793027,-1.041214255,0.0,-0.005508129,GGA,P2_12_12_1,ABC3_oP40_19_2a_2a_6a:Ba-Sb-Te,40.0,ABC3_oP40_19_2a_2a_6a:Ba-Sb-Te +mp-28314,Ba7Ga4Sb9,-3.9850445012,-0.8497335097000001,0.010018084,0.010018084,GGA,Pmmn,A7B4C9_oP40_59_aeg_ef_a2beg:Ba-Ga-Sb,40.0,"Invalid WP multiplicities - A7B4C9_oP40_59_aeg_ef_a2b2e2g:Ba-Ga-Sb, expected Ba7Ga4Sb15 to be Ba7Ga4Sb9" +mp-28296,Ba3GaSb3,-4.0115001007,-0.9869251632,0.0,-0.0351182635,GGA,Pnma,A3BC3_oP56_62_2c2d_d_2c2d:Ba-Ga-Sb,56.0,"Invalid WP multiplicities - A3BC3_oP56_62_2c2d_d_2c5d:Ba-Ga-Sb, expected Ba3GaSb6 to be Ba3GaSb3" +mp-29938,Ba(GaSb)2,-3.851557269,-0.604923376,0.0,-0.030163803,GGA,Pnma,AB2C2_oP40_62_2c_4c_4c:Ba-Ga-Sb,40.0,"Invalid WP multiplicities - AB2C2_oP40_62_2c_5c_5c:Ba-Ga-Sb, expected Ba2(GaSb)5 to be Ba(GaSb)2" +mp-1228664,Ba3Ga4Sb5,-3.8425670173,-0.6330407581,0.0568253571,0.0568253571,GGA,Pmn2_1,A3B4C5_oP48_31_6a_8a_10a:Ba-Ga-Sb,48.0,"Invalid WP multiplicities - A3B4C5_oP48_31_9a_11a_15a:Ba-Ga-Sb, expected Ba9Ga11Sb15 to be Ba3Ga4Sb5" +mp-22012,Tb(MnGe)6,-7.02110114,-0.3022838337,0.0,-0.0393695731,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Tb,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_cd2e_i_a:Ge-Mn-Tb, expected Tb(Mn3Ge4)2 to be Tb(MnGe)6" +mp-623463,TbMn5Ge3,-7.1957737947,-0.0498264475,0.2748837353,0.2748837353,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:Ge-Mn-Tb,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_8c_19c_c:Ge-Mn-Tb, expected TbMn19Ge8 to be TbMn5Ge3" +mp-613839,Tb3(MnGe)4,-6.7415954809,-0.4649344911,0.0747201831,0.0747201831,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Mn-Tb,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_2eg_n_b2f:Ge-Mn-Tb, expected Tb5(Mn2Ge3)2 to be Tb3(MnGe)4" +mp-1217753,Tb3Mn3Ga2Ge,-6.1360256978,-0.3506519115,0.127112663,0.127112663,GGA,P-6,A2BC3D3_hP9_174_ad_e_j_k:Ga-Ge-Mn-Tb,9.0,A2BC3D3_hP9_174_ad_e_j_k:Ga-Ge-Mn-Tb +mp-1087513,Tb2MnGa6,-4.5946108789,-0.5280193648,0.0,-0.0363629241,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Ga-Mn-Tb,9.0,A6BC2_cF36_225_e_a_c:Ga-Mn-Tb +mp-21154,TbMnGe,-6.6259281875,-0.4861251051,0.0972746215,0.0972746215,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Tb +mp-22486,Tb(MnGe)2,-6.92805109,-0.4871606112,0.0,-0.0454353304,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Tb,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Tb +mp-1207233,TbMnGa,-5.7949333956,-0.1867742574,0.2315608685,0.2315608685,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Mn-Tb,9.0,ABC_hP9_189_f_bc_g:Ga-Mn-Tb +mp-569086,DyInNi,-4.8800402578,-0.5005045078,0.0,-0.0151468361,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-In-Ni,9.0,ABC_hP9_189_f_g_ad:Dy-In-Ni +mp-1068319,Dy2InNi2,-5.235251914,-0.53014576,0.0,-0.0415305805,GGA,Cmmm,A2BC2_oC10_65_h_a_g:Dy-In-Ni,5.0,A2BC2_oC10_65_h_a_g:Dy-In-Ni +mp-1080118,Dy2InNi2,-5.216263754,-0.5111576,0.01898816,-0.0225424205,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-In-Ni,10.0,A2BC2_tP10_127_h_a_g:Dy-In-Ni +mp-21415,Dy(NiGe)2,-5.7737343,-0.691111118,0.0,-0.0776399057,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Ni +mp-1079916,DyIn2Ni,-4.4019453062,-0.4293725613,0.0,-0.0145620057,GGA,Cmcm,AB2C_oC16_63_c_f_c:Dy-In-Ni,8.0,AB2C_oC16_63_c_f_c:Dy-In-Ni +mp-1191751,Dy11In9Ni4,-4.6191399562,-0.5124584758,0.0023200625,0.0023200625,GGA,Cmmm,A11B9C4_oC48_65_a2gip_c2q_q:Dy-In-Ni,24.0,A11B9C4_oC48_65_a2gip_c2q_q:Dy-In-Ni +mp-1102455,DyNiGe,-5.8004570883,-0.7971399633,0.0,-0.0899336377,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Ni,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Ni +mp-607124,Dy5(In2Ni)2,-4.6662930232,-0.5207527977,0.0,-0.0071457969,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Dy-In-Ni,22.0,"Invalid WP multiplicities - A5B4C2_oP22_55_2a4g_4h_h:Dy-In-Ni, expected Dy5In4Ni to be Dy5(In2Ni)2" +mp-1087478,DyNiGe3,-5.425866614,-0.5746651970000001,0.0,-0.009611158,GGA,Cmmm,AB3C_oC20_65_g_g2h_h:Dy-Ge-Ni,10.0,AB3C_oC20_65_g_g2h_h:Dy-Ge-Ni +mp-1078577,DyNiGe2,-5.6055925812,-0.6973477737,0.008969775,-0.0215810521,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Dy-Ge-Ni,8.0,AB2C_oC16_63_c_2c_c:Dy-Ge-Ni +mp-638084,DyNiGe2,-5.6145623563,-0.7063175488,0.0,-0.0305508271,GGA,Immm,AB2C_oI32_71_eg_efn_n:Dy-Ge-Ni,16.0,"Invalid WP multiplicities - AB2C_oI32_71_2eg_2e2f2n_n:Dy-Ge-Ni, expected Dy3(NiGe4)2 to be DyNiGe2" +mp-1213457,Dy3NiGe2,-5.5978121025,-0.7900532842,0.0,-0.0173506808,GGA,Pnma,A3B2C_oP24_62_3c_2c_c:Dy-Ge-Ni,24.0,A3B2C_oP24_62_3c_2c_c:Dy-Ge-Ni +mp-1191362,DyIn2Ni9,-5.3953475921,-0.2177322238,0.0052741796,0.0052741796,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Dy-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Dy-In-Ni +mp-20748,Dy4In(NiGe2)2,-5.4370906745,-0.7797074136000001,0.0,-0.0189816824,GGA,C2/m,A4B4CD2_mC22_12_2i_2i_a_i:Dy-Ge-In-Ni,11.0,A4B4CD2_mC22_12_2i_2i_a_i:Dy-Ge-In-Ni +mp-1213533,Dy3Ni11Ge4,-5.7706982422,-0.4432551633,0.0609237402,0.0609237402,GGA,P6_3/mmc,A3B4C11_hP36_194_h_bg_fhk:Dy-Ge-Ni,36.0,A3B4C11_hP36_194_h_bg_fhk:Dy-Ge-Ni +mp-1213615,Dy4In20Ni11,-4.1715195397,-0.2560245271,0.0285338425,0.0285338425,GGA,C2/m,A4B20C11_mC70_12_2i_10i_a5i:Dy-In-Ni,35.0,A4B20C11_mC70_12_2i_10i_a5i:Dy-In-Ni +mp-21835,Cs2In2Sb3,-3.2480754573,-0.4364788967,0.0,-0.0712110477,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:Cs-In-Sb,56.0,A2B2C3_mP56_14_4e_4e_6e:Cs-In-Sb +mp-1113094,Cs2InSbBr6,-3.324881399,-1.5259154296,0.02083163,0.02083163,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Sb +mp-992066,In(Mo3Se4)2,-5.6131505893,0.7730411581000001,1.5639479983,1.5639479983,GGA,P-1,AB6C8_aP15_2_a_3i_4i:In-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_aP15_2_a_6i_7i:In-Mo-Se, expected In(Mo6Se7)2 to be In(Mo3Se4)2" +mp-20511,In(Mo3Se4)2,-7.1255304913,-0.7393387439,0.0515680963,0.0515680963,GGA,R-3,AB6C8_hR45_148_a_f_cf:In-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:In-Mo-Se +mp-1223482,Li3Mo15Se19,-7.1761301688,-0.8292696735,0.0439128108,0.0439128108,GGA,P2_1/m,A3B15C19_mP74_11_ef_3e6f_3e8f:Li-Mo-Se,74.0,"Invalid WP multiplicities - A3B15C19_mP74_11_ef_6e24f_6e26f:Li-Mo-Se, expected Li3(Mo27Se29)2 to be Li3Mo15Se19" +mp-20152,In(MoSe)3,-7.16674581,-0.6272645967,0.0092642664,0.0092642664,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:In-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:In-Mo-Se +mp-1104518,In(MoSe)3,-7.1358446114,-0.5963633981,0.040165465,0.040165465,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:In-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:In-Mo-Se +mp-1199774,In2Mo15Se19,-7.2578438785,-0.74088729,0.0416667529,0.0416667529,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:In-Mo-Se,72.0,A2B15C19_hR216_167_c_e2f_2ce2f:In-Mo-Se +mp-1222592,LiIn(MoSe)6,-7.1469707571,-0.6676867484,0.0717555143,0.0717555143,GGA,P-6,ABC6D6_hP14_174_a_d_jk_jk:In-Li-Mo-Se,14.0,ABC6D6_hP14_174_a_d_jk_jk:In-Li-Mo-Se +mp-1197196,Li2Mo15Se19,-7.2574295283,-0.7872929878,0.0716470675,0.0716470675,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:Li-Mo-Se,72.0,A2B15C19_hR216_167_c_e2f_2ce2f:Li-Mo-Se +mp-1103933,Li(MoSe)3,-7.2084164429,-0.7893296386,0.0436203993,0.0436203993,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Li-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:Li-Mo-Se +mp-1228853,In3Mo15Se19,-7.1519380205,-0.7367455634000001,0.0249546326,0.0249546326,GGA,P2_1/m,A3B15C19_mP74_11_ef_3e6f_3e8f:In-Mo-Se,74.0,"Invalid WP multiplicities - A3B15C19_mP74_11_ef_6e24f_6e26f:In-Mo-Se, expected In3(Mo27Se29)2 to be In3Mo15Se19" +mp-1104651,Li(Mo3Se4)2,-7.1708702707,-0.8408625808,0.0417074743,0.0417074743,GGA,R-3,AB6C8_hR45_148_a_f_cf:Li-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Li-Mo-Se +mp-673706,Li7(Mo3Se4)4,-6.6525918443,-0.9541677006,0.0003080507,0.0003080507,GGA,P1,A7B12C16_aP35_1_7a_12a_16a:Li-Mo-Se,35.0,A7B12C16_aP35_1_7a_12a_16a:Li-Mo-Se +mp-27346,Al2Hg3Cl8,-3.3016208185,-1.5177372773,0.0,-0.0463747958,GGA,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:Al-Cl-Hg,52.0,"Invalid WP multiplicities - A2B8C3_mP52_14_3e_10e_3e:Al-Cl-Hg, expected Al3Hg3Cl10 to be Al2Hg3Cl8" +mp-1113345,Rb2AlHgCl6,-3.503670049,-1.793515619,0.136443575,0.136443575,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-Rb +mp-1209422,RbAlCl4,-4.2049165833,-2.1848738263,0.0,-0.1202065556,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Cl-Rb,24.0,AB4C_oP24_62_c_2cd_c:Al-Cl-Rb +mp-1113999,Rb3AlCl6,-3.921590453,-2.1437506522,0.065122649,0.065122649,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Cl-Rb,10.0,AB6C3_cF40_225_a_e_bc:Al-Cl-Rb +mp-975530,RbAl,-1.7045185150000002,0.6585364363,0.6585364363,0.6585364363,GGA,Pm-3m,AB_cP2_221_a_b:Al-Rb,2.0,AB_cP2_221_a_b:Al-Rb +mp-975056,Rb3Al,-1.3121900275,0.3596044844,0.3596044844,0.3596044844,GGA,I4/mmm,AB3_tI8_139_a_bd:Al-Rb,4.0,AB3_tI8_139_a_bd:Al-Rb +mp-975052,Rb3Al,-1.3184033925,0.3533911194,0.3533911194,0.3533911194,GGA,Fm-3m,AB3_cF16_225_a_bc:Al-Rb,4.0,AB3_cF16_225_a_bc:Al-Rb +mp-1106015,DyGa2Co3,-5.7065599756,-0.3752379306,0.0,-0.0317981171,GGA,P6/mmm,A3BC2_hP18_191_fl_ad_k:Co-Dy-Ga,18.0,A3BC2_hP18_191_fl_ad_k:Co-Dy-Ga +mp-1191058,Dy8Ga3Co,-4.8227637821,-0.4021887335,0.0,-0.0138729672,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Co-Dy-Ga,24.0,AB8C3_hP24_186_b_ab2c_c:Co-Dy-Ga +mp-1106164,Dy6GaCo2,-5.268341895,-0.2810693781,0.0,-0.0053076879,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-Ga,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-Ga +mp-1193482,Dy2(Ga3Co)3,-4.6156217071,-0.487665188,0.0,-0.0247668148,GGA,Cmcm,A3B2C9_oC56_63_ae_g_cfgh:Co-Dy-Ga,28.0,A3B2C9_oC56_63_ae_g_cfgh:Co-Dy-Ga +mp-1078003,DyGa5Co,-4.3081064214,-0.4715943146,0.0,-0.0134017162,GGA,P4/mmm,ABC5_tP7_123_b_a_ci:Co-Dy-Ga,7.0,ABC5_tP7_123_b_a_ci:Co-Dy-Ga +mp-1199330,Dy6(Ga3Co)7,-4.6309879137,-0.4842537349,0.0183417833,0.0183417833,GGA,P4/mbm,A7B6C21_tP68_127_agi_hi_dghi3j:Co-Dy-Ga,68.0,A7B6C21_tP68_127_agi_hi_dghi3j:Co-Dy-Ga +mp-1213263,Dy(GaCo)6,-5.3659614608,-0.3332484035,0.0087133917,0.0087133917,GGA,Immm,A6BC6_oI26_71_fk_a_egh:Co-Dy-Ga,13.0,A6BC6_oI26_71_fk_a_egh:Co-Dy-Ga +mp-605252,DyGaCo,-5.4113929633,-0.4969927442,0.0,-0.0384323503,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Dy-Ga,12.0,ABC_oP12_62_c_c_c:Co-Dy-Ga +mp-1191222,Dy4Ga16Co3,-4.3447605378,-0.5099067507,0.0,-0.0079923922,GGA,P4/mmm,A3B4C16_tP23_123_ae_i_ghjr:Co-Dy-Ga,23.0,A3B4C16_tP23_123_ae_i_ghjr:Co-Dy-Ga +mp-1191417,Dy3GaCoSe7,-5.5855284546,-1.5498488978,0.0561465653,0.0561465653,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Co-Dy-Ga-Se,24.0,AB3CD7_hP24_173_a_c_b_b2c:Co-Dy-Ga-Se +mp-1102381,Dy2Ga8Co,-4.1741624264,-0.4881024577,0.0074529545,0.0074529545,GGA,P4/mmm,AB2C8_tP11_123_a_g_ehi:Co-Dy-Ga,11.0,AB2C8_tP11_123_a_g_ehi:Co-Dy-Ga +mp-1225455,Dy2Ga3Co,-4.78786694,-0.5535036829000001,0.0163509421,0.0163509421,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Co-Dy-Ga,6.0,AB2C3_mC12_8_a_2a_3a:Co-Dy-Ga +mp-1206476,Dy2GaCo2,-5.70329959,-0.4116385315,0.0,-0.0360108466,GGA,Immm,A2B2C_oI10_71_e_g_c:Co-Dy-Ga,5.0,A2B2C_oI10_71_e_g_c:Co-Dy-Ga +mp-1225686,DyGaCo4,-6.2477796383,-0.2364206312,0.0228224743,0.0228224743,GGA,Cmmm,A4BC_oC12_65_eh_c_a:Co-Dy-Ga,6.0,A4BC_oC12_65_eh_c_a:Co-Dy-Ga +mp-1225852,DyGaSe3,-4.913268002,-1.2887445429,0.2168113325,0.2168113325,GGA,Pnma,ABC3_oP20_62_c_c_3c:Dy-Ga-Se,20.0,ABC3_oP20_62_c_c_3c:Dy-Ga-Se +mp-1201881,Nd4In8Ni7,-4.6712163037,-0.3792680758,0.0072056834,0.0072056834,GGA,Cmmm,A8B4C7_oC76_65_acg2h2p_gjq_ip2q:In-Nd-Ni,38.0,A8B4C7_oC76_65_acg2h2p_gjq_ip2q:In-Nd-Ni +mp-1079588,Nd2InNi2,-5.195731504,-0.426081113,0.003303173,-0.0236071085,GGA,Pbam,AB2C2_oP10_55_a_h_g:In-Nd-Ni,10.0,AB2C2_oP10_55_a_h_g:In-Nd-Ni +mp-1079664,Nd2InNi2,-5.199034677,-0.429384286,0.0,-0.0269102815,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-Nd-Ni,10.0,AB2C2_tP10_127_a_h_g:In-Nd-Ni +mp-1220397,Nd2NiGe3,-5.5006616717,-0.6364091533,0.1429452192,0.1429452192,GGA,P-6m2,A3B2C_hP6_187_abc_i_d:Ge-Nd-Ni,6.0,A3B2C_hP6_187_abc_i_d:Ge-Nd-Ni +mp-669645,Nd5In11Ni6,-4.44489785,-0.4089852012,0.0029735786,0.0029735786,GGA,Cmmm,A11B5C6_oC44_65_cghip_aq_iq:In-Nd-Ni,22.0,"Invalid WP multiplicities - A11B5C6_oC44_65_c2g2ij3p_a2q_gq:In-Nd-Ni, expected Nd9In23Ni6 to be Nd5In11Ni6" +mp-1103113,NdIn4Ni,-3.9480077542,-0.3555045821,0.0113377708,0.0113377708,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Nd-Ni,12.0,A4BC_oC24_63_acf_c_c:In-Nd-Ni +mp-1211207,NdIn2Ni,-4.432232737,-0.4193198439,0.0149701155,0.0149701155,GGA,Cmcm,A2BC_oC80_63_2c4f_c2f_c2f:In-Nd-Ni,40.0,A2BC_oC80_63_2c4f_c2f_c2f:In-Nd-Ni +mp-985562,Nd11In9Ni4,-4.6589615329,-0.4783231143,0.0,-0.0141875133,GGA,Cmmm,A9B11C4_oC48_65_c2q_a2gip_q:In-Nd-Ni,24.0,A9B11C4_oC48_65_c2q_a2gip_q:In-Nd-Ni +mp-1180256,NdInNi,-4.7598634667,-0.3265408525,0.1244389822,0.1150281411,GGA,P-6m2,ABC_hP3_187_a_d_e:In-Nd-Ni,9.0,ABC_hP3_187_a_d_e:In-Nd-Ni +mp-1078673,NdInNi,-4.8843024489,-0.4509798347,0.0,-0.0094108411,GGA,P-62m,ABC_hP9_189_f_g_bc:In-Nd-Ni,9.0,ABC_hP9_189_f_g_bc:In-Nd-Ni +mp-1206218,NdInNi4,-5.4210099750000005,-0.3142803279,0.0,-0.0120328792,GGA,F-43m,ABC4_cF24_216_a_c_e:In-Nd-Ni,6.0,ABC4_cF24_216_a_c_e:In-Nd-Ni +mp-4302,Nd(NiGe)2,-5.808106466,-0.6932111655000001,0.0,-0.0774250739,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Nd-Ni,5.0,A2BC2_tI10_139_e_a_d:Ge-Nd-Ni +mp-1210381,Nd3In4Ge,-4.30230056,-0.5605249259,0.0226029172,0.0226029172,GGA,I4/mcm,AB4C3_tI32_140_c_l_ah:Ge-In-Nd,16.0,AB4C3_tI32_140_c_l_ah:Ge-In-Nd +mp-1220717,Nd7In6Ni5Ge3,-5.0109703581,-0.5987369594,0.0,-0.0290415557,GGA,P-6,A3B6C7D5_hP21_174_k_2k_a2j_cek:Ge-In-Nd-Ni,21.0,A3B6C7D5_hP21_174_k_2k_a2j_cek:Ge-In-Nd-Ni +mp-1211308,Nd12InNi6,-5.2563374116,-0.2747440958,0.0,-0.012742341,GGA,Im-3,AB12C6_cI38_204_a_g_e:In-Nd-Ni,19.0,AB12C6_cI38_204_a_g_e:In-Nd-Ni +mp-5215,NdNiGe2,-5.6934294462,-0.7448444906,0.0,-0.054596728,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Nd-Ni,8.0,"Invalid WP multiplicities - A2BC_oC16_63_4c_c_c:Ge-Nd-Ni, expected NdNiGe4 to be NdNiGe2" +mp-1079595,NdInNi2,-5.17571961,-0.4056934794,0.0,-0.0230633981,GGA,Pmma,ABC2_oP8_51_e_f_af:In-Nd-Ni,8.0,ABC2_oP8_51_e_f_af:In-Nd-Ni +mp-1205918,Nd2NiGe6,-5.3107329056,-0.5268886083000001,0.0269049697,0.0269049697,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Ni,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Nd-Ni +mp-1079171,NdNiGe3,-5.481030768,-0.5975572325,0.0,-0.00168164,GGA,Cmmm,A3BC_oC20_65_2gh_h_g:Ge-Nd-Ni,10.0,A3BC_oC20_65_2gh_h_g:Ge-Nd-Ni +mp-1220448,Nd2In3Ni,-4.3367907267,-0.4082102708,0.0674378212,0.0674378212,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:In-Nd-Ni,6.0,A3B2C_oP6_25_a2b_cd_a:In-Nd-Ni +mp-1210073,Nd3NiGe2,-5.6087722387,-0.7203331242000001,0.0,-0.0367726061,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ge-Nd-Ni,24.0,A2B3C_oP24_62_2c_3c_c:Ge-Nd-Ni +mp-1210049,NdNiGe,-5.7521958083,-0.6950918192000001,0.0,-0.0252653695,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Nd-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Nd-Ni +mp-1190769,NdIn2Ni9,-5.3974334537,-0.2063713694,0.0,-0.0102293838,GGA,P4/mbm,A2BC9_tP24_127_g_a_cjk:In-Nd-Ni,24.0,A2BC9_tP24_127_g_a_cjk:In-Nd-Ni +mp-20575,Nd2InGe2,-5.044639818,-0.7378329570000001,0.0,-0.0204558527,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Nd,10.0,A2BC2_tP10_127_g_a_h:Ge-In-Nd +mp-1221894,Mn2GaCu3,-5.53758095,0.0707101528,0.1338342224,0.1338342224,GGA,R-3m,A3BC2_hR18_166_d_a_c:Cu-Ga-Mn,6.0,A3BC2_hR18_166_d_a_c:Cu-Ga-Mn +mp-1222029,Mn2GaCu3,-5.5447504392,0.0635406636,0.1266647332,0.1266647332,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cu-Ga-Mn,12.0,A3BC2_hP12_194_h_a_f:Cu-Ga-Mn +mp-20261,Mn(GaSe2)2,-5.0018802457,-0.8301869246,0.0,-0.0405772736,GGA,I-4,A2BC4_tI14_82_ac_b_g:Ga-Mn-Se,7.0,A2BC4_tI14_82_ac_b_g:Ga-Mn-Se +mp-1078002,Mn(GaSe2)2,-4.9908253114,-0.8191319903000001,0.0110549343,-0.0295223393,GGA,I-42m,A2BC4_tI14_121_d_a_i:Ga-Mn-Se,7.0,A2BC4_tI14_121_d_a_i:Ga-Mn-Se +mp-1221609,MnGa(CuSe2)2,-4.9315712575,-0.6350499369,0.0,-0.0170662621,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-Mn-Se,8.0,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-Mn-Se +mp-1222076,Mn4Ga3Cu2,-6.0013925683,-0.0090856155,0.0917103261,0.0917103261,GGA,P-6m2,A2B3C4_hP18_187_adg_bcgh_h3i:Cu-Ga-Mn,18.0,"Invalid WP multiplicities - A2B3C4_hP18_187_adg_bcgh_h6i:Cu-Ga-Mn, expected Mn7Ga3Cu2 to be Mn4Ga3Cu2" +mp-1221747,MnGa2(CuSe2)3,-4.7031477337,-0.6622063827,0.0,-0.0008855863,GGA,Fdd2,A3B2CD6_oF96_43_ab_b_a_3b:Cu-Ga-Mn-Se,24.0,"Invalid WP multiplicities - A3B2CD6_oF96_43_2a2b_b_a_11b:Cu-Ga-Mn-Se, expected MnGa2(Cu3Se11)2 to be MnGa2(CuSe2)3" +mp-1095760,MnGaCu2,-3.3014543475,1.7956768161,1.882181857,1.882181857,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Mn,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Mn +mp-1078713,Tb(SiIr)2,-7.699438592,-1.067064488,0.027636386,-0.1719860355,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ir-Si-Tb,10.0,A2B2C_tP10_129_ac_bc_c:Ir-Si-Tb +mp-5752,Tb(SiIr)2,-7.727074978,-1.094700874,0.0,-0.1996224215,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ir-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Ir-Si-Tb +mp-867282,Tb2IrRh,-7.2126255325,-0.84475697,0.0,-0.0174347127,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Tb,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Tb +mp-1239087,TbSiRh,-6.6390950817,-0.8310977483,0.1567932078,0.1567932078,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Si-Tb,12.0,ABC_oP12_62_c_c_c:Rh-Si-Tb +mp-20535,TbSiRh,-6.6268999917,-0.8189026583,0.1689882978,0.1689882978,GGA,Cmcm,ABC_oC12_63_c_a_c:Rh-Si-Tb,6.0,ABC_oC12_63_c_a_c:Rh-Si-Tb +mp-754875,TbSi2Rh3,-7.285194565,-1.0222069367,0.0,-0.0124866912,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Rh-Si-Tb,6.0,A3B2C_hP6_191_g_c_a:Rh-Si-Tb +mp-3097,Tb(SiRh)2,-7.16425595,-1.12153237,0.0,-0.1372862427,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-Tb +mp-12879,Tb2Si5Rh3,-6.7911314125,-0.9423068165,0.0080303325,0.0080303325,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Rh-Si-Tb,20.0,"Invalid WP multiplicities - A3B5C2_mC40_15_2e2f_4ef_f:Rh-Si-Tb, expected Tb(SiRh)3 to be Tb2Si5Rh3" +mp-1068588,TbSi3Ir,-6.74522519,-0.7954743160000001,0.0,-0.0544191007,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ir-Si-Tb,5.0,AB3C_tI10_107_a_ab_a:Ir-Si-Tb +mp-1217476,TbSi2IrRh,-7.449565856,-1.112017014,0.0,-0.003900392,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Ir-Rh-Si-Tb,5.0,ABC2D_tI10_119_a_b_f_c:Ir-Rh-Si-Tb +mp-1068827,TbSi3Rh,-6.43406754,-0.779141928,0.0,-0.0372979975,GGA,I4mm,AB3C_tI10_107_a_ab_a:Rh-Si-Tb,5.0,AB3C_tI10_107_a_ab_a:Rh-Si-Tb +mp-1206089,Tb2(SiIr)3,-6.9834713212,-0.4759727175,0.6018917381000001,0.6018917381000001,GGA,Pm,A3B3C2_mP8_6_a2b_a2b_2a:Ir-Si-Tb,8.0,A3B3C2_mP8_6_a2b_a2b_2a:Ir-Si-Tb +mp-20383,TbSiIr,-7.3491765283,-1.0498037583,0.0,-0.064716376,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Si-Tb,12.0,ABC_oP12_62_c_c_c:Ir-Si-Tb +mp-1187284,Tb2Si5Ir3,-7.2424710065,-0.9514085175,0.0,-0.0063209225,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ir-Si-Tb,20.0,A3B5C2_oI40_72_aj_bfj_j:Ir-Si-Tb +mp-21748,TbSi3Rh5,-7.3766688198,-0.9620177598,0.0,-0.041714299,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Rh-Si-Tb,54.0,"Invalid WP multiplicities - A5B3C_hP54_176_8h_4h_h:Rh-Si-Tb, expected Tb(SiRh2)4 to be TbSi3Rh5" +mp-17036,Tb2Si3Rh,-6.3871341008,-0.9023017408,0.0,-0.0236316258,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Rh-Si-Tb,24.0,"Invalid WP multiplicities - AB3C2_hP24_194_f_k_2b2h:Rh-Si-Tb, expected Tb4Si3Rh to be Tb2Si3Rh" +mp-1191861,Tb2Si3Rh,-6.3813340625,-0.8965017025,0.0058000383,-0.0178315875,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Rh-Si-Tb,24.0,AB3C2_hP24_194_f_k_bh:Rh-Si-Tb +mp-20553,GdMnSi,-10.1002435267,-0.5457583393000001,0.0,-0.0321098293,GGA,P4/nmm,ABC_tP6_129_c_a_c:Gd-Mn-Si,6.0,ABC_tP6_129_c_a_c:Gd-Mn-Si +mp-865652,TiMn2Si,-8.418173995,-0.5069638373,0.0,-0.063823599,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Si-Ti,4.0,A2BC_cF16_225_c_a_b:Mn-Si-Ti +mp-1216867,TiMnSi4,-6.814383885,-0.3545873135,0.0801234367,0.0801234367,GGA,P2,AB4C_mP18_3_2bc_6e_2ac:Mn-Si-Ti,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2b_12e_a2c:Mn-Si-Ti, expected TiMnSi8 to be TiMnSi4" +mp-17553,Ti2Mn4Si5,-7.5612750405,-0.328035463,0.2162428337,0.2162428337,GGA,Ibam,A4B5C2_oI44_72_2j_a2j_f:Mn-Si-Ti,22.0,A4B5C2_oI44_72_2j_a2j_f:Mn-Si-Ti +mp-999047,Ti2MnSi,-7.928494135,-0.3339147961,0.2444729444,0.2444729444,GGA,F-43m,ABC2_cF16_216_a_c_bd:Mn-Si-Ti,4.0,ABC2_cF16_216_a_c_bd:Mn-Si-Ti +mp-20448,Gd(MnSi)2,-8.157319804,0.4928379728,1.0135980733,1.0135980733,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Mn-Si +mp-569019,Gd3Ti2MnSi3,-9.4788332839,-0.2057977133,0.4066526648,0.4066526648,GGA,P6_3/mcm,A3BC3D2_hP18_193_g_b_g_d:Gd-Mn-Si-Ti,18.0,A3BC3D2_hP18_193_g_b_g_d:Gd-Mn-Si-Ti +mp-21606,TiMnSi2,-7.5887390504,-0.6117032082,0.0,-0.027879196,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Mn-Si-Ti,48.0,"Invalid WP multiplicities - AB2C_oP48_55_ei_3g3hi_2g2i:Mn-Si-Ti, expected Ti6Mn3Si8 to be TiMnSi2" +mp-1111632,Rb2LuAgCl6,-4.223462265,-2.1828828022,0.0,-0.0023532037,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Lu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Lu-Rb +mp-1113595,Cs2ErAgCl6,-4.2473766,-2.2191466483,0.0,-0.0094571045,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Er,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Er +mp-1213797,Cs3ErCl6,-4.3668714185,-2.5323568299,0.0,-0.018453744,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Cs-Er,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Cs-Er +mp-1112369,Cs3ErCl6,-4.322394437,-2.4878798484,0.0444769815,0.0260232375,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Er,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Er +mp-1213445,CsEr2Cl7,-4.9888578705,-2.6917982093,0.0,-0.0589139505,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Er,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Er +mp-1214000,Cs2ErCl5,-4.5287921831,-2.5786413264,0.0,-0.0064241516,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Er,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Er +mp-31460,NbCoSb,-7.3862290633,-0.2733543717,0.0205786277,0.0205786277,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Nb-Sb,3.0,ABC_cF12_216_c_a_b:Co-Nb-Sb +mp-1220498,Nb8Co2Sb4Pd,-8.0656831647,-0.2841523193,0.05140721,0.05140721,GGA,I-42m,A2B8CD4_tI30_121_c_j_a_i:Co-Nb-Pd-Sb,15.0,A2B8CD4_tI30_121_c_j_a_i:Co-Nb-Pd-Sb +mp-1113420,Cs2EuAuCl6,-4.604609894,-1.9633190436,0.6021888147000001,0.6021888147000001,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Eu,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Eu +mp-569168,Ba6NaCu3Te14,-4.1192836512,-1.2384387575,0.0,-0.0159431129,GGA,P6_3/mcm,A6B3CD14_hP48_193_j_g_b_d2gk:Ba-Cu-Na-Te,48.0,"Invalid WP multiplicities - A6B3CD14_hP48_193_j_g_b_3d9g8k:Ba-Cu-Na-Te, expected Ba6Na(CuTe27)3 to be Ba6NaCu3Te14" +mp-30133,Ba(CuTe)2,-4.1736087575,-0.8928087442,0.0194127355,0.0194127355,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Ba-Cu-Te,20.0,AB2C2_oP20_62_c_2c_2c:Ba-Cu-Te +mp-1112657,Cs2NaGdCl6,-5.323947951,-2.4958807272,0.0,-0.0180153723,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Na +mp-1185562,CsGd,-6.85384044,0.631921866,0.631921866,0.631921866,GGA,P-6m2,AB_hP2_187_a_d:Cs-Gd,2.0,AB_hP2_187_a_d:Cs-Gd +mp-1213731,Cs2GdCl5,-5.7086288347,-2.5699275492,0.0,-0.0371218162,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Gd,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Gd +mp-1213349,CsGd2Cl7,-6.897555357,-2.6988150098,0.0,-0.0502696926,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Gd,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Gd +mp-1112364,Cs3GdCl6,-5.262824239,-2.4774693074,0.0294627568,0.0294627568,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Gd,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Gd +mp-1209170,RbSm2Cl7,-5.0242771212,-2.688530825,0.0,-0.0720916148,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Sm,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Sm +mp-1209521,Rb2SmCl5,-4.5409858738,-2.5506936763,0.0,-0.0093709305,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-Rb-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Cl-Rb-Sm +mp-1113640,Rb2SmAuCl6,-4.129889245,-2.025413621,0.1278323848,0.1278323848,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sm +mp-1209546,Rb3SmCl6,-4.3673942173,-2.492253386,0.0,-0.0027239423,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Rb-Sm,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Rb-Sm +mp-1110726,Rb3SmCl6,-4.307657339,-2.4325165077,0.0597368782,0.057012936,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sm +mp-1209270,RbSm2Cl5,-4.7686641772,-2.3111154719,0.1227406402,0.1227406402,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-Rb-Sm,32.0,A5BC2_mP32_14_5e_e_2e:Cl-Rb-Sm +mp-1113222,Cs2TaAgCl6,-4.419946817,-1.6627109833,0.1990981173,0.1990981173,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Ta +mp-1213680,CsDy2Cl7,-5.006429335,-2.7015560678,0.0,-0.0429888619,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Dy,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Dy +mp-1206092,Cs3DyCl6,-4.323746405,-2.4853250134,0.0275088478,0.0275088478,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Dy,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Dy +mp-1112130,Cs2RbDyCl6,-4.351542972,-2.5046084103,0.0062099287,0.0062099287,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Rb +mp-540695,Cs2DyCl5,-4.5323391559,-2.5773047954,0.0,-0.0379220184,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Dy,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Dy +mp-1113428,CsRb2DyCl6,-4.28151254,-2.4260648083,0.081685956,0.081685956,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Dy-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Dy-Rb +mp-11121,CsTbCdSe3,-4.4170057592,-1.5936069817,0.0,-0.109142139,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Tb,12.0,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Tb +mp-1201549,FeSb6(Pb2Se7)2,-4.4649422806,-0.5834471759000001,0.0450724375,0.0450724375,GGA,P2_1/c,AB4C6D14_mP50_14_a_2e_3e_7e:Fe-Pb-Sb-Se,50.0,AB4C6D14_mP50_14_a_2e_3e_7e:Fe-Pb-Sb-Se +mp-1111149,Li3SbCl6,-3.614973448,-1.520274468,0.2935893885,0.2935893885,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Li-Sb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Li-Sb +mp-1111120,Li2CuSbCl6,-3.5492121990000003,-1.2354848387,0.288515635,0.288515635,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Li-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Li-Sb +mp-15988,Li2CuSb,-3.4797362225,-0.4682228117,0.0096576629,0.0096576629,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cu-Li-Sb,4.0,AB2C_cF16_216_a_bc_d:Cu-Li-Sb +mp-570558,Rb2NbCl6,-4.5941985211,-2.0215770606,0.0,-0.0315679312,GGA,I4/mmm,A6BC2_tI18_139_eh_a_d:Cl-Nb-Rb,9.0,A6BC2_tI18_139_eh_a_d:Cl-Nb-Rb +mp-571513,Rb2NbCl6,-4.5937992367,-2.0211777761,0.0003992844,-0.0311686467,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Nb-Rb,9.0,A6BC2_cF36_225_e_a_c:Cl-Nb-Rb +mp-22976,Rb2(NbCl3)3,-5.3774153418,-1.8844286843,0.0,-0.0272607415,GGA,C2/m,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Nb-Rb,28.0,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Nb-Rb +mp-30107,RbNb4Cl11,-5.6314359888,-1.7739573955,0.0130005307,0.0130005307,GGA,Pmma,A11B4C_oP32_51_eijkl_gi_f:Cl-Nb-Rb,32.0,A11B4C_oP32_51_eijkl_gi_f:Cl-Nb-Rb +mp-1210315,Rb(Nb2Cl5)3,-5.8112673422,-1.7514303325,0.0,-0.0080140067,GGA,Pmma,A15B6C_oP88_51_efgijk5l_2ej2l_k:Cl-Nb-Rb,88.0,A15B6C_oP88_51_efgijk5l_2ej2l_k:Cl-Nb-Rb +mp-569710,RbNb3CuCl9,-5.3697049693,-1.6539559834,0.0297393664,0.0297393664,GGA,P-1,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Rb,28.0,"Invalid WP multiplicities - A9BC3D_aP28_2_17i_i_6i_i:Cl-Cu-Nb-Rb, expected RbNb6CuCl17 to be RbNb3CuCl9" +mp-1397105,RbNb3CuCl9,-3.0599569111,0.6557920748,2.3394874246,2.3394874246,GGA,P-1,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Rb,28.0,"Invalid WP multiplicities - A9BC3D_aP28_2_17i_i_6i_i:Cl-Cu-Nb-Rb, expected RbNb6CuCl17 to be RbNb3CuCl9" +mp-1209219,RbNbCl6,-4.6839061462,-1.9122737622,0.0,-0.0438676285,GGA,C2/c,A6BC_mC32_15_3f_c_e:Cl-Nb-Rb,16.0,A6BC_mC32_15_3f_a_e:Cl-Nb-Rb +mp-1221631,MnCoSnPd,-6.543146765,-0.178200077,0.1006362356,0.1006362356,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Co-Mn-Pd-Sn,4.0,ABCD_cF16_216_a_c_b_d:Co-Mn-Pd-Sn +mp-1221549,MnSnPd2,-6.1965537375,-0.3137160457,0.0974184725,0.0917895643,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Mn-Pd-Sn,4.0,AB2C_tP4_123_a_h_b:Mn-Pd-Sn +mp-20481,MnSnPd2,-6.29397221,-0.4111345182,0.0,-0.0056289082,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Mn-Pd-Sn +mp-1222087,Mn3Sn2Pd5,-6.5009235925,-0.3604637289,0.0114756915,0.0114756915,GGA,R-3m,A3B5C2_hR60_166_ab2c_5c_2c:Mn-Pd-Sn,20.0,"Invalid WP multiplicities - A3B5C2_hR60_166_ab2c_9c_3c:Mn-Pd-Sn, expected MnSnPd3 to be Mn3Sn2Pd5" +mp-1024996,MnCoSn,-6.47351969,0.286448624,0.3669921695,0.3669921695,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Mn-Sn,6.0,ABC_hP6_194_a_c_d:Co-Mn-Sn +mp-1206556,MnCoSn,-6.74409111,0.015877204,0.0964207495,0.0964207495,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Co-Mn-Sn,6.0,ABC_hP6_194_c_a_d:Co-Mn-Sn +mp-22465,Mn2CoSn,-7.2380770925,0.122402966,0.1828106252,0.1828106252,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Mn-Sn,4.0,AB2C_cF16_216_a_bc_d:Co-Mn-Sn +mp-1221689,MnCoSn4,-5.40033778,-0.0155676955,0.0247040773,0.0247040773,GGA,I422,ABC4_tI12_97_a_b_j:Co-Mn-Sn,6.0,ABC4_tI12_97_a_b_j:Co-Mn-Sn +mp-1221536,Mn2SnPd3,-6.6580173333,-0.3458093551,0.0,-0.0012378176,GGA,P-3m1,A2B3C_hP12_164_abd_c2d_d:Mn-Pd-Sn,12.0,"Invalid WP multiplicities - A2B3C_hP12_164_abd_c4d_d:Mn-Pd-Sn, expected Mn2SnPd5 to be Mn2SnPd3" +mp-20840,MnCo2Sn,-6.9678710025,-0.1208153182,0.0,-0.0536720083,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mn-Sn,4.0,A2BC_cF16_225_c_a_b:Co-Mn-Sn +mp-1112278,Cs2CuBiBr6,-3.373071512,-1.4682044596,0.0312987422,0.0312987422,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Cu +mp-569970,ZrHg3(SeBr3)2,-3.3281275625,-1.1807330075,0.0,-0.0140964835,GGA,P2_1/c,A6B3C2D_mP24_14_3e_ae_e_d:Br-Hg-Se-Zr,24.0,"Invalid WP multiplicities - A6B3C2D_mP24_14_10e_ae_e_d:Br-Hg-Se-Zr, expected ZrHg3(SeBr10)2 to be ZrHg3(SeBr3)2" +mp-1111439,Cs2LiSbCl6,-3.799742783,-1.9077479019,0.0183509044,0.0183509044,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sb +mp-1112353,Cs3SbCl6,-3.695694333,-1.9050515014,0.043307345,0.043307345,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sb +mp-615833,Cs2SbCl6,-3.6727382547,-1.7826242609,4.89553e-05,-0.0157017542,GGA,I4_1/amd,A6B2C_tI72_141_2e2h_f_ab:Cl-Cs-Sb,36.0,"Invalid WP multiplicities - A6B2C_tI72_141_7e10h_f_ab:Cl-Cs-Sb, expected Cs2SbCl27 to be Cs2SbCl6" +mp-1184201,Cs2SbCl6,-3.67278721,-1.7826732162,0.0,-0.0157507094,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Sb,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Sb +mp-567583,CsSbCl6,-3.5545800288,-1.5401270822000002,0.0,-0.1027931094,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Cs-Sb,16.0,"Invalid WP multiplicities - A6BC_mC32_15_8f_e_a:Cl-Cs-Sb, expected CsSbCl16 to be CsSbCl6" +mp-669473,Cs3Sb2Cl9,-3.7813862491,-1.8113119965,0.005650588,-0.070768577,GGA,Pnma,A9B3C2_oP56_62_3c3d_3c_2c:Cl-Cs-Sb,56.0,"Invalid WP multiplicities - A9B3C2_oP56_62_12c16d_9c_4c:Cl-Cs-Sb, expected Cs9(SbCl11)4 to be Cs3Sb2Cl9" +mp-567196,Cs3Sb2Cl9,-3.7860648793,-1.8159906267,0.0009719579,-0.0754472071,GGA,P321,A9B3C2_hP14_150_eg_ad_d:Cl-Cs-Sb,14.0,"Invalid WP multiplicities - A9B3C2_hP14_150_3e3g_ad_d:Cl-Cs-Sb, expected Cs3Sb2Cl27 to be Cs3Sb2Cl9" +mp-27629,Cs3Sb2Cl9,-3.7870368371,-1.8169625846,0.0,-0.076419165,GGA,P-3m1,A9B3C2_hP14_164_ei_ad_d:Cl-Cs-Sb,14.0,"Invalid WP multiplicities - A9B3C2_hP14_164_e2i_ad_d:Cl-Cs-Sb, expected Cs3Sb2Cl15 to be Cs3Sb2Cl9" +mp-3195,Sr11(CdSb2)6,-3.3507740259,-0.8104367353,0.0195289116,0.0195289116,GGA,C2/m,A6B12C11_mC58_12_3i_6i_a5i:Cd-Sb-Sr,29.0,"Invalid WP multiplicities - A6B12C11_mC58_12_4i_7i_a5i:Cd-Sb-Sr, expected Sr11(Cd4Sb7)2 to be Sr11(CdSb2)6" +mp-7432,Sr(CdSb)2,-2.94182899,-0.5831738993000001,0.0,-0.0990393129,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cd-Sb-Sr,5.0,A2B2C_hP5_164_d_d_a:Cd-Sb-Sr +mp-9257,Yb(CdSb)2,-2.867375054,-0.538696998,0.0,-0.051774571,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cd-Sb-Yb,,A2B2C_hP5_164_d_d_a:Cd-Sb-Yb +mp-1218660,Sr6Yb4(CdSb2)5,-3.389826621,-0.9018324194,0.0,-0.0469372715,GGA,Cm,A5B10C6D4_mC100_8_10a_20a_12a_8a:Cd-Sb-Sr-Yb,,A5B10C6D4_mC100_8_10a_20a_12a_8a:Cd-Sb-Sr-Yb +mp-569106,Yb2CdSb2,-3.319135289,-0.867113529,0.0,-0.0508387157,GGA,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Cd-Sb-Yb,,AB2C2_oC20_36_a_2a_2a:Cd-Sb-Yb +mp-29641,GeSb4Te7,-3.9612043792,-0.3660232068,0.0038465642,0.0038465642,GGA,P-3m1,AB4C7_hP12_164_a_2d_bc2d:Ge-Sb-Te,12.0,"Invalid WP multiplicities - AB4C7_hP12_164_a_4d_b2c2d:Ge-Sb-Te, expected GeSb8Te9 to be GeSb4Te7" +mp-1224362,Ge(SbTe2)2,-3.8777647886,-0.2414428017,0.1189054871,0.1189054871,GGA,I-4m2,AB2C4_tI14_119_a_bc_ef:Ge-Sb-Te,7.0,"Invalid WP multiplicities - AB2C4_tI14_119_a_bc_2e2f:Ge-Sb-Te, expected Ge(SbTe4)2 to be Ge(SbTe2)2" +mp-1224348,Ge(SbTe2)2,-3.9859691943,-0.3496472074,0.0107010814,0.0107010814,GGA,R3m,AB2C4_hR21_160_a_2a_4a:Ge-Sb-Te,7.0,AB2C4_hR21_160_a_2a_4a:Ge-Sb-Te +mp-1224350,Ge(SbTe2)2,-3.9894256757,-0.3531036888,0.0072445999999999,0.0072445999999999,GGA,R3m,AB2C4_hR21_160_a_2a_4a:Ge-Sb-Te,7.0,AB2C4_hR21_160_a_2a_4a:Ge-Sb-Te +mp-1224370,Ge(SbTe2)2,-3.8705504157,-0.2342284288,0.12611986,0.12611986,GGA,R-3m,AB2C4_hR21_166_a_c_2c:Ge-Sb-Te,7.0,AB2C4_hR21_166_a_c_2c:Ge-Sb-Te +mp-1222285,LiSbTe2,-3.69023014,-0.6090961667,0.0721863338,0.0721863338,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Li-Sb-Te,4.0,ABC2_tP4_123_a_d_bc:Li-Sb-Te +mp-685371,Ge9(Sb5Te12)2,-3.9183741142,-0.2361274971,0.1135921605,0.1135921605,GGA,P1,A9B10C24_aP43_1_9a_10a_24a:Ge-Sb-Te,43.0,A9B10C24_aP43_1_9a_10a_24a:Ge-Sb-Te +mp-1224407,Ge2Sb2Te5,-3.9847517056,-0.2935752993,0.05407768,0.05407768,GGA,Cm,A2B2C5_mC18_8_2a_2a_5a:Ge-Sb-Te,9.0,A2B2C5_mC18_8_2a_2a_5a:Ge-Sb-Te +mp-3534,Ge2Sb2Te5,-4.0156754278,-0.3244990215,0.0231539578,0.0231539578,GGA,P-3m1,A2B2C5_hP9_164_c_d_a2d:Ge-Sb-Te,9.0,A2B2C5_hP9_164_c_d_a2d:Ge-Sb-Te +mp-1224375,Ge2Sb2Te5,-4.0270485111,-0.3358721048,0.0117808744,0.0117808744,GGA,P-3m1,A2B2C5_hP9_164_d_c_a2d:Ge-Sb-Te,9.0,A2B2C5_hP9_164_d_c_a2d:Ge-Sb-Te +mp-1222357,LiGe3SbTe5,-4.003873873,-0.4415201592,0.0129244785,0.0129244785,GGA,R3m,A3BCD5_hR30_160_3a_a_a_5a:Ge-Li-Sb-Te,10.0,A3BCD5_hR30_160_3a_a_a_5a:Ge-Li-Sb-Te +mp-1224415,Ge3(SbTe3)2,-3.9910654682,-0.2649817041,0.0745924418,0.0745924418,GGA,C2/m,A3B2C6_mC22_12_bi_i_ac2i:Ge-Sb-Te,11.0,"Invalid WP multiplicities - A3B2C6_mC22_12_a2i_i_bc4i:Ge-Sb-Te, expected Ge5(SbTe5)2 to be Ge3(SbTe3)2" +mp-1212511,Ge3(SbTe3)2,-4.0543467845,-0.3282630205,0.0113111255,0.0113111255,GGA,R3m,A3B2C6_hR33_160_3a_2a_6a:Ge-Sb-Te,11.0,A3B2C6_hR33_160_3a_2a_6a:Ge-Sb-Te +mp-28060,LiGeTe2,-3.8310443367,-0.6264037096,0.0,-0.0313844064,GGA,P-1,ABC2_aP24_2_3i_bd2i_6i:Ge-Li-Te,24.0,ABC2_aP24_2_3i_bd2i_6i:Ge-Li-Te +mp-1222750,Li2GeSb2Te5,-3.784421283,-0.5428807295,0.06278915,0.06278915,GGA,R3m,AB2C2D5_hR30_160_a_2a_2a_5a:Ge-Li-Sb-Te,10.0,AB2C2D5_hR30_160_a_2a_2a_5a:Ge-Li-Sb-Te +mp-1224378,Ge(SbTe)4,-4.01242985,-0.2666235846,0.0197729488,0.0197729488,GGA,P-3m1,AB4C4_hP9_164_a_2d_cd:Ge-Sb-Te,9.0,AB4C4_hP9_164_a_2d_cd:Ge-Sb-Te +mp-1120824,Ge13Sb13Te32,-3.9841555971,-0.2882561691,0.057165898,0.057165898,GGA,P1,A13B13C32_aP58_1_13a_13a_32a:Ge-Sb-Te,58.0,A13B13C32_aP58_1_13a_13a_32a:Ge-Sb-Te +mp-1224339,GeSbTe3,-3.964750424,-0.328361069,0.027202952,0.027202952,GGA,R3m,ABC3_hR15_160_a_a_3a:Ge-Sb-Te,5.0,ABC3_hR15_160_a_a_3a:Ge-Sb-Te +mp-1222311,LiGeSbTe3,-3.8742751067,-0.5257968331,0.0294646325,0.0294646325,GGA,P3m1,ABCD3_hP6_156_a_b_c_abc:Ge-Li-Sb-Te,6.0,ABCD3_hP6_156_a_b_c_abc:Ge-Li-Sb-Te +mp-1111477,Na2LiInCl6,-3.614633281,-1.7749455666,0.1200718803,0.1200718803,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Na +mp-676109,Li3InCl6,-3.830071722,-1.873104493,0.0,-0.0143119465,GGA,C2,A6BC3_mC120_5_18c_ab2c_9c:Cl-In-Li,60.0,"Invalid WP multiplicities - A6BC3_mC120_5_35c_ab4c_18c:Cl-In-Li, expected Li18(InCl7)5 to be Li3InCl6" +mp-1111288,Li3InCl6,-3.598173418,-1.641206189,0.231898304,0.2175863575,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-In-Li,10.0,A6BC3_cF40_225_e_a_bc:Cl-In-Li +mp-1112924,Cs2InAuBr6,-3.141449675,-1.4279956296,0.0408438795,0.0408438795,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-In +mp-1183944,CsNd3,-3.23984551,0.5601156574,0.5601156574,0.5601156574,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-Nd,4.0,AB3_tI8_139_a_bd:Cs-Nd +mp-1213264,CsNdTe4,-3.6979112117,-0.658448982,0.591565541,0.591565541,GGA,P4/mmm,ABC4_tP12_123_e_f_s:Cs-Nd-Te,12.0,ABC4_tP12_123_e_f_s:Cs-Nd-Te +mp-12342,CsNdZnTe3,-4.0420521333,-1.3165169509,0.0,-0.0124101233,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Nd-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_c2f_c:Cs-Nd-Te-Zn, expected CsNdZnTe5 to be CsNdZnTe3" +mp-11742,CsNdTe2,-4.6016191225,-1.6140787247,0.0,-0.1161910934,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Nd-Te,4.0,ABC2_hR12_166_a_b_c:Cs-Nd-Te +mp-1183961,CsNd,-2.19205501,0.6397198923,0.6397198923,0.6397198923,GGA,R-3m,AB_hR6_166_a_b:Cs-Nd,2.0,AB_hR6_166_a_b:Cs-Nd +mp-1112627,Cs2InGaBr6,-3.273534675,-1.5846592273,0.0324242367,0.0324242367,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-In,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-In +mp-541283,InGaBr4,-3.2420942483,-1.2434454029,0.0,-0.0431678648,GGA,P2/c,A4BC_mP24_13_4g_g_ef:Br-Ga-In,24.0,A4BC_mP24_13_4g_g_ef:Br-Ga-In +mp-574448,RbGd2CuSe4,-7.6541420487,-1.7521881571,0.0,-0.0274224234,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Gd-Rb-Se,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_2a2c2f:Cu-Gd-Rb-Se, expected RbGd2CuSe8 to be RbGd2CuSe4" +mp-10781,RbGdSe2,-7.4886716225,-1.9765518055,0.0,-0.1634394341,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Gd-Rb-Se +mp-1195667,Cs2MgGe3Se8,-4.2165891682,-0.9860562982,0.0,-0.0367495459,GGA,P2_12_12_1,A2B3CD8_oP56_19_2a_3a_a_8a:Cs-Ge-Mg-Se,56.0,A2B3CD8_oP56_19_2a_3a_a_8a:Cs-Ge-Mg-Se +mp-1192564,Mg2GeSe4,-4.2195324379,-1.1042133142,0.0,-0.0048513098,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mg-Se,28.0,AB2C4_oP28_62_c_ac_2cd:Ge-Mg-Se +mp-1193194,Cs3GeSe3,-3.7339678407,-1.1915436401,0.0,-0.0735270839,GGA,C2/c,A3BC3_mC56_15_2e2f_f_3f:Cs-Ge-Se,28.0,A3BC3_mC56_15_2e2f_f_3f:Cs-Ge-Se +mp-1104024,Cs2GeSe4,-3.9664777479,-1.0525522465,0.0,-0.0152269248,GGA,C2/m,A2BC4_mC28_12_2i_i_2ij:Cs-Ge-Se,14.0,A2BC4_mC28_12_2i_i_2ij:Cs-Ge-Se +mp-1102254,Cs2GeSe3,-3.9533606825,-1.1364328438,0.0,-0.0590745573,GGA,C2/m,A2BC3_mC24_12_2i_i_g2i:Cs-Ge-Se,12.0,A2BC3_mC24_12_2i_i_g2i:Cs-Ge-Se +mp-1202605,Nd26Ga7Co10,-5.2708039835000005,-0.2416950683,0.0,-0.004000421,GGA,P4/mbm,A10B7C26_tP86_127_2egk_ahk_2fgj2l:Co-Ga-Nd,86.0,A10B7C26_tP86_127_2egk_ahk_2fgj2l:Co-Ga-Nd +mp-1189391,NdGa2Co3,-5.6898067461,-0.331591269,0.0148829381,0.0148829381,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Nd,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Nd +mp-1220259,NdGa2Co3,-5.6562463711,-0.298030894,0.0484433131,0.0484433131,GGA,P6/mmm,A3B2C_hP18_191_gj_m_ac:Co-Ga-Nd,18.0,"Invalid WP multiplicities - A3B2C_hP18_191_gj_m_a2c:Co-Ga-Nd, expected Nd5(Ga2Co3)3 to be NdGa2Co3" +mp-1220210,NdGaCo4,-6.2203858667,-0.1821334275,0.0309021504,0.0309021504,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Ga-Nd,6.0,A4BC_hP6_187_ak_c_e:Co-Ga-Nd +mp-1210011,NdGaCo4,-6.2360917683,-0.1978393292,0.0151962487,0.0151962487,GGA,P6/mmm,A4BC_hP18_191_jm_g_ac:Co-Ga-Nd,18.0,A4BC_hP18_191_jm_g_ac:Co-Ga-Nd +mp-1193443,Nd2(Ga3Co)3,-4.6204354839,-0.4694274516,0.0,-0.0151949582,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Nd,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Nd +mp-1103877,Nd3GaCo3,-5.7386422079,-0.2161433929,0.0031427999,0.0031427999,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Co-Ga-Nd,14.0,A3BC3_oC28_63_cf_a_cf:Co-Ga-Nd +mp-1220679,Nd(Ga3Co)3,-4.2885175738,-0.1849818031,0.1916583729,0.1916583729,GGA,C2/m,A3B9C_mC52_12_3i_ac8i_i:Co-Ga-Nd,26.0,A3B9C_mC52_12_3i_ac8i_i:Co-Ga-Nd +mp-1190065,Nd2Ga2Co15,-6.5141863084,-0.0816992645,0.053519612,0.053519612,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Nd,19.0,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Nd +mp-1193230,NdGa4Co9,-6.0067253082,-0.2313401884,0.0,-0.0022790279,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Co-Ga-Nd,28.0,A9B4C_tI56_140_dkl_l_a:Co-Ga-Nd +mp-1192259,Nd8Ga3Co,-4.8550528529,-0.326904076,0.0,-0.0069248477,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Nd,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Nd +mp-1191579,Nd3GaCoSe7,-5.6520725504,-1.5760528455,0.0440541618,0.0440541618,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-Nd-Se,24.0,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-Nd-Se +mp-1206412,Nd2GaCo2,-5.636642866,-0.2804375705,0.0,-0.0069013459,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Nd,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Nd +mp-1103578,NdGaCo,-5.3505183492,-0.3823312658,0.0182764544,0.0182764544,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Nd,12.0,ABC_oP12_62_c_c_c:Co-Ga-Nd +mp-675349,DyCuSe2,-5.3718625175,-1.4474084012,0.0,-0.0074395422,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Dy-Se,4.0,ABC2_hP4_156_a_b_ac:Cu-Dy-Se +mp-1225646,Dy3CuSe6,-5.5816919295,-1.6921883239,0.0269301581,0.0269301581,GGA,Pca2_1,AB3C6_oP40_29_a_3a_6a:Cu-Dy-Se,40.0,"Invalid WP multiplicities - AB3C6_oP40_29_a_4a_8a:Cu-Dy-Se, expected Dy4CuSe8 to be Dy3CuSe6" +mp-1225403,Dy(CuSe)3,-4.8477873086,-0.9346242681,0.0074558418,0.0074558418,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Dy-Se,14.0,A3BC3_hR42_148_f_c_f:Cu-Dy-Se +mp-16118,RbDy2CuSe4,-5.2639875444,-1.7293675027000002,0.0,-0.0933358917,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Dy-Rb-Se,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_ac2f:Cu-Dy-Rb-Se, expected RbDy2CuSe6 to be RbDy2CuSe4" +mp-1225818,DyGaFeCo3,-6.4919736017,-0.2536640254,0.0228091997,0.0228091997,GGA,P2/m,A3BCD_mP6_10_an_h_d_c:Co-Dy-Fe-Ga,6.0,A3BCD_mP6_10_an_e_g_c:Co-Dy-Fe-Ga +mp-30551,GaFeCo2,-6.6697449825,-0.2410567769,0.0,-0.0660936075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Fe-Ga,4.0,A2BC_cF16_225_c_a_b:Co-Fe-Ga +mp-1203342,Dy2Ga3Fe14,-7.3075211424,-0.1034075272,0.0675685095,0.0675685095,GGA,P6_3/mmc,A2B14C3_hP38_194_bc_fjk_g:Dy-Fe-Ga,38.0,A2B14C3_hP38_194_bc_fjk_g:Dy-Fe-Ga +mp-1225865,Dy(GaFe)6,-5.8321606208,-0.1709690642,0.1494456446,0.1058264357,GGA,Fmmm,AB6C6_oF52_69_a_dm_em:Dy-Fe-Ga,,AB6C6_oF52_69_a_dm_em:Dy-Fe-Ga +mp-1104284,Dy(GaFe)6,-5.9816062654,-0.3204147088,0.0,-0.0436192089,GGA,Immm,AB6C6_oI26_71_a_fk_egh:Dy-Fe-Ga,13.0,AB6C6_oI26_71_a_fk_egh:Dy-Fe-Ga +mp-1225366,Dy2FeCo3,-6.69572306,-0.1942983475,0.0,-0.0217352871,GGA,R-3m,A3B2C_hR18_166_d_c_a:Co-Dy-Fe,6.0,A3B2C_hR18_166_d_c_a:Co-Dy-Fe +mp-1224895,GaFe2Co,-6.923472225,-0.1543581656,0.0338290338,0.0338290338,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Fe-Ga,4.0,AB2C_cF16_216_a_bc_d:Co-Fe-Ga +mp-636212,GaFe2Co,-6.8186942275,-0.0495801681,0.1386070313,0.1386070313,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Fe-Ga,4.0,AB2C_cF16_225_a_c_b:Co-Fe-Ga +mp-1189987,Dy4Ga12Fe,-4.2483840106,-0.5287180788,0.0,-0.0060146775,GGA,Im-3m,A4BC12_cI34_229_c_a_de:Dy-Fe-Ga,17.0,A4BC12_cI34_229_c_a_de:Dy-Fe-Ga +mp-1102259,Dy2Ga8Fe,-4.2596400964,-0.4497889082,0.0106378541,0.0106378541,GGA,P4/mmm,A2BC8_tP11_123_g_a_ehi:Dy-Fe-Ga,11.0,A2BC8_tP11_123_g_a_ehi:Dy-Fe-Ga +mp-1224867,Ga2FeCo,-5.5827944475,-0.174161685,0.0654902753,0.0654902753,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Co-Fe-Ga,4.0,ABC2_tP4_123_a_b_h:Co-Fe-Ga +mp-15776,Zn(GaSe2)2,-3.9580729443,-0.9152755778,0.0,-0.0232959907,GGA,I-4,A2B4C_tI14_82_ac_g_b:Ga-Se-Zn,7.0,A2B4C_tI14_82_ac_g_b:Ga-Se-Zn +mp-1097598,ZnGaCu2,-1.85505806,1.2665051831,1.3702617203,1.3702617203,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Zn,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Zn +mp-1215542,Zn2GaCuSe4,-3.7822761837,-0.8284717059000001,0.0042400675,0.0042400675,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Cu-Ga-Se-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Cu-Ga-Se-Zn +mp-1215608,Zn2GaCuSe4,-3.7035223575,-0.7497178796,0.0829938938,0.0829938938,GGA,R3m,ABC4D2_hR24_160_a_a_4a_2a:Cu-Ga-Se-Zn,8.0,ABC4D2_hR24_160_a_a_4a_2a:Cu-Ga-Se-Zn +mp-1178644,ZnGaCu3Se4,-3.8094427478,-0.4128754641,0.2052911236,0.2052911236,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Ga-Se-Zn,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Ga-Se-Zn +mp-1215574,ZnGaCuSe3,-3.9238169883,-0.7780201991,0.015075155,0.015075155,GGA,Cm,ABC3D_mC12_8_a_a_3a_a:Cu-Ga-Se-Zn,6.0,ABC3D_mC12_8_a_a_3a_a:Cu-Ga-Se-Zn +mp-1207460,Zn2GaSe4,-3.5689151029,-0.7787395096,0.0888075037,0.0888075037,GGA,I-42m,AB4C2_tI14_121_a_i_d:Ga-Se-Zn,7.0,AB4C2_tI14_121_a_i_d:Ga-Se-Zn +mp-4727,Ba(SbSe2)2,-4.5172610479,-1.0657434292,0.0,-0.0188971468,GGA,P2_1/c,AB2C4_mP56_14_2e_4e_8e:Ba-Sb-Se,56.0,AB2C4_mP56_14_2e_4e_8e:Ba-Sb-Se +mp-28238,Ba4Sb4Se11,-4.6036341199,-1.3064272265,0.0,-0.0110190883,GGA,Pnnm,A4B4C11_oP76_58_2h_4g_e6g2h:Ba-Sb-Se,76.0,"Invalid WP multiplicities - A4B4C11_oP76_58_2h_4g_e8g4h:Ba-Sb-Se, expected Ba4Sb4Se17 to be Ba4Sb4Se11" +mp-1196887,Ba4SiSb2Se11,-4.7240501006,-1.4010364048,0.0,-0.0066513303,GGA,Cmc2_1,A4B2C11D_oC72_36_2b_2a_7a2b_a:Ba-Sb-Se-Si,36.0,A4B2C11D_oC72_36_2b_2a_7a2b_a:Ba-Sb-Se-Si +mp-1223242,La2Mn3FeSi4,-7.282571349999999,-0.5296360084,0.005579651,0.005579651,GGA,P-4m2,AB2C3D4_tP10_115_a_g_bcd_2g:Fe-La-Mn-Si,10.0,"Invalid WP multiplicities - AB2C3D4_tP10_115_a_g_bcd_4g:Fe-La-Mn-Si, expected La2Mn3FeSi8 to be La2Mn3FeSi4" +mp-1080643,LaFeSi2,-6.6822113963,-0.6180453025,0.0,-0.0215797944,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Fe-La-Si,8.0,ABC2_oC16_63_c_c_2c:Fe-La-Si +mp-4088,La(FeSi)2,-7.129435536,-0.584098419,0.0,-0.0586021455,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-La-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-La-Si +mp-505332,LaFeSi,-6.8356229933,-0.558507545,0.0,-0.0598212574,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-La-Si,6.0,ABC_tP6_129_a_c_c:Fe-La-Si +mp-1223271,La2FeSi3,-6.2516154133,-0.481950495,0.1685186733,0.1685186733,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Fe-La-Si,6.0,AB2C3_hP6_187_a_i_bcd:Fe-La-Si +mp-1223067,LaFe8Si5,-7.5264986107,-0.3963009725,0.0446163285,0.0446163285,GGA,C2/m,A8BC5_mC56_12_ab3i2j_h_i2j:Fe-La-Si,28.0,"Invalid WP multiplicities - A8BC5_mC56_12_ab3i4j_h_i4j:Fe-La-Si, expected La(Fe4Si3)3 to be LaFe8Si5" +mp-1211378,LaFe8Si5,-7.5349549768,-0.4047573386,0.0361599624,0.0361599624,GGA,I4/mcm,A8BC5_tI56_140_kl_a_dl:Fe-La-Si,28.0,A8BC5_tI56_140_kl_a_dl:Fe-La-Si +mp-19737,LaMnSi,-6.9852920833,-0.477511941,0.0,-0.0006340076,GGA,P4/nmm,ABC_tP6_129_c_a_c:La-Mn-Si,6.0,ABC_tP6_129_c_a_c:La-Mn-Si +mp-5069,La(MnSi)2,-7.341056156,-0.5189214062,0.0,-0.0194900785,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:La-Mn-Si +mp-3213,LaMnSi2,-6.8138093875,-0.5766447732000001,0.0,-0.0018339331,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Mn-Si,8.0,ABC2_oC16_63_c_c_2c:La-Mn-Si +mp-662529,LaFe9Si4,-7.7111389864,-0.3634625496,0.0188975543,0.0188975543,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Fe-La-Si,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_2d6k6l_a_l:Fe-La-Si, expected La(Fe25Si2)2 to be LaFe9Si4" +mp-1222805,LaMnFeSi2,-7.226354338,-0.5426184046,0.008891508,0.008891508,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Fe-La-Mn-Si,5.0,ABCD2_tI10_119_a_c_b_f:Fe-La-Mn-Si +mp-1195517,Yb5Al17(Fe2Si3)2,-4.5742014631,-0.2678007278,0.0860714262,0.0860714262,GGA,P4/mmm,A17B4C6D5_tP32_123_cjkp_m_el_bo:Al-Fe-Si-Yb,,A17B4C6D5_tP32_123_cjkp_m_el_bo:Al-Fe-Si-Yb +mp-10405,Yb(AlSi)2,-4.263702736,-0.287423536,0.0,-0.062953984,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Si-Yb,,A2B2C_hP5_164_d_d_a:Al-Si-Yb +mp-12789,Yb(Al5Fe)2,-4.6076880946,-0.3049643254,0.0,-0.0120382346,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Yb,,"Invalid WP multiplicities - A10B2C_oC52_63_e3f2g_d_c:Al-Fe-Yb, expected Yb(Al6Fe)2 to be Yb(Al5Fe)2" +mp-1072082,YbFeSi,-5.6113290633,-0.4663465567,0.0,-0.0507278063,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Si-Yb,,ABC_tP6_129_a_c_c:Fe-Si-Yb +mp-1104202,Yb(Al2Fe)4,-5.3954869108,-0.3659253908,0.0,-0.0305050574,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Yb,,A8B4C_tI26_139_ij_f_a:Al-Fe-Yb +mp-1216019,Yb2Fe4Si9,-5.92827358,-0.2091293353,0.2293281382,0.2293281382,GGA,P-3m1,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Yb,,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Yb +mp-1198337,Yb2Fe3Si5,-6.0527203788,-0.4911333448,0.000873028,0.000873028,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Yb,,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Yb +mp-1215770,Yb(AlFe)6,-6.0832430869,-0.3268438162,0.0,-0.0251019562,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Yb,,A6B6C_oI26_71_efg_hk_a:Al-Fe-Yb +mp-2866,Yb(FeSi)2,-6.353706028,-0.487648676,0.0,-0.0174489955,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Yb,,A2B2C_tI10_139_d_e_a:Fe-Si-Yb +mp-10532,Yb2AlSi2,-3.94441677,-0.40933108,0.0236862465,0.0236862465,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Al-Si-Yb,,AB2C2_tP10_127_a_g_h:Al-Si-Yb +mp-1215612,YbAl7Fe5,-5.7313103685,-0.3383299731,0.0080546304,0.0080546304,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Yb,,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Yb +mp-1205649,LiSc(TlCl3)2,-4.403817337,-1.9980275145,0.0,-0.009605009,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Sc-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Sc-Tl +mp-686004,Li3ScCl6,-4.6123818082,-2.2973360417,0.0162553208,0.0162553208,GGA,C2,A6B3C_mC80_5_12c_ab5c_2c:Cl-Li-Sc,40.0,"Invalid WP multiplicities - A6B3C_mC80_5_23c_ab9c_2c:Cl-Li-Sc, expected Li10Sc2Cl23 to be Li3ScCl6" +mp-1111284,Li3ScCl6,-4.384389821,-2.0693440545,0.244247308,0.244247308,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Li-Sc,10.0,A6B3C_cF40_225_e_ac_b:Cl-Li-Sc +mp-1096494,LiSc2Tl,-2.1599188625,2.0742071933,2.2895966008,2.2895966008,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Li-Sc-Tl +mp-1096746,Li2ScTl,-1.50322287,1.6250166262,1.8474334542,1.8474334542,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Sc-Tl,4.0,A2BC_oI8_71_e_a_b:Li-Sc-Tl +mp-865231,LiScTl2,-3.4977728975,-0.2561033312,0.0,-0.0718545064,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Sc-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Sc-Tl +mp-1209072,SbSeBr,-3.8636146092,-0.8043009266000001,0.0,-0.0287165722,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Sb-Se,12.0,ABC_oP12_62_c_c_c:Br-Sb-Se +mp-567556,CdSb2Se3Br2,-3.6678834475,-0.8210480309,0.0011026562,0.0011026562,GGA,C2/m,A2BC2D3_mC32_12_2i_i_2i_3i:Br-Cd-Sb-Se,16.0,"Invalid WP multiplicities - A2BC2D3_mC32_12_2i_i_2i_6i:Br-Cd-Sb-Se, expected CdSb2(Se3Br)2 to be CdSb2Se3Br2" +mp-1182773,Ba(GdTe2)2,-7.9015384679,-1.8094751831,0.0,-0.0286580507,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Gd-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Gd-Te +mp-1224764,GdCu5Te4,-5.142658639,-0.4281207227,0.1332973283,0.1332973283,GGA,C2/m,A5BC4_mC20_12_a2i_d_2i:Cu-Gd-Te,10.0,"Invalid WP multiplicities - A5BC4_mC20_12_a4i_c_4i:Cu-Gd-Te, expected GdCu9Te8 to be GdCu5Te4" +mp-1226688,Gd3Cu2Te7,-7.2040699358,-1.1682431597,0.0040231238,0.0040231238,GGA,Ama2,A2B3C7_oC48_40_2b_3b_2a3bc:Cu-Gd-Te,24.0,A2B3C7_oC48_40_2b_3b_2a3bc:Cu-Gd-Te +mp-1095273,BaGdCuTe3,-6.3906978067,-1.4699942183,0.0,-0.034374745,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Gd-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Gd-Te +mp-1110803,Rb2AgSbCl6,-3.618211762,-1.6168272272,0.0,-0.0252708718,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sb +mp-1110818,Rb2PrAgBr6,-3.79021585,-1.9009458617,0.0502195999999999,0.0502195999999999,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Pr-Rb +mp-1209488,Rb2PrBr5,-4.0832798688,-2.269890425,0.0,-0.0482195781,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Br-Pr-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Br-Pr-Rb +mp-1113243,Cs2AgMoBr6,-3.863179109,-1.3844610253,0.0513120246,0.0513120246,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Mo +mp-680482,AgMo6Br13,-5.4557523143,-1.0509610666,0.0085230552,0.0085230552,GGA,P-1,AB13C6_aP40_2_i_13i_6i:Ag-Br-Mo,40.0,"Invalid WP multiplicities - AB13C6_aP40_2_i_25i_11i:Ag-Br-Mo, expected AgMo11Br25 to be AgMo6Br13" +mp-1226957,Cd3InAu12,-2.9276291181,-0.127195555,0.0007270066,0.0007270066,GGA,P-6m2,A12B3C_hP16_187_jkn_ai_d:Au-Cd-In,16.0,A12B3C_hP16_187_jkn_ai_d:Au-Cd-In +mp-1223891,In3SnAu4,-3.37589143,-0.2058725494,0.0,-0.0180942866,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:Au-In-Sn,8.0,A4B3C_oP8_25_abcd_abc_d:Au-In-Sn +mp-1224151,In3Sn3Au4,-3.504564621,-0.1666351455,0.0299436934,0.0299436934,GGA,P3m1,A4B3C3_hP10_156_2a2b_a2b_a2c:Au-In-Sn,10.0,A4B3C3_mC20_8_4a_3a_3a:Au-In-Sn +mp-1226759,CdIn2SnAu2,-3.033667945,-0.2030690992,0.008692135,0.008692135,GGA,R3m,A2BC2D_hR18_160_2a_a_2a_a:Au-Cd-In-Sn,6.0,A2BC2D_hR18_160_2a_a_2a_a:Au-Cd-In-Sn +mp-1226720,CdSnAu,-2.9302612100000003,-0.1948133383,0.0,-0.0509498271,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Cd-Sn,3.0,ABC_cF12_216_c_a_b:Au-Cd-Sn +mp-1226723,CdSnAu,-2.7247894267,0.010658445,0.2054717833,0.1545219562,GGA,F-43m,ABC_cF12_216_a_b_c:Au-Cd-Sn,3.0,ABC_cF12_216_a_b_c:Au-Cd-Sn +mp-1224155,In3SnAu12,-3.326139565,-0.1041891247,0.0098005772,0.0098005772,GGA,Pmm2,A12B3C_oP16_25_ac2e3f_be_d:Au-In-Sn,16.0,"Invalid WP multiplicities - A12B3C_oP16_25_ac3e4f_be_d:Au-In-Sn, expected In3SnAu16 to be In3SnAu12" +mp-1114015,Rb2NaTbCl6,-4.362714639,-2.4617966892,0.0002791349,0.0002791349,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tb +mp-1210040,NaDyCl4,-4.7459186283,-2.5253421661,0.0,-0.0068312894,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Dy-Na,12.0,A4BC_aP12_2_4i_i_i:Cl-Dy-Na +mp-982980,Na3DyCl6,-4.329684129,-2.363125861,0.0,-0.00407393,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Cl-Dy-Na,20.0,A6BC3_mP20_14_3e_a_be:Cl-Dy-Na +mp-1111895,Na3DyCl6,-4.195700552,-2.229142284,0.133983577,0.129909647,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Dy-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-Dy-Na +mp-1110563,Cs2NaDyCl6,-4.383884428,-2.5027507442,0.0,-0.0189835923,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Na +mp-1190504,RbSm2Ag3Te5,-4.2398534314,-1.0914985387,0.0,-0.0317182861,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Rb-Sm-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Rb-Sm-Te +mp-999269,RbSmTe2,-4.6056092425,-1.609176244,0.0,-0.1239599691,GGA,R-3m,ABC2_hR12_166_a_b_c:Rb-Sm-Te,4.0,ABC2_hR12_166_a_b_c:Rb-Sm-Te +mp-12497,CsSmCdTe3,-3.96827679,-1.3071441322,0.0,-0.0220992364,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Sm-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Sm-Te +mp-1226825,Cs3Sm7Te12,-4.9890384459,-1.6510393195000002,0.0,-0.072192928,GGA,Pmn2_1,A3B7C12_oP44_31_3a_7a_12a:Cs-Sm-Te,44.0,"Invalid WP multiplicities - A3B7C12_oP44_31_4a_10a_18a:Cs-Sm-Te, expected Cs2Sm5Te9 to be Cs3Sm7Te12" +mp-1103178,CsNdCdTe3,-3.983225065,-1.3138321909,0.0,-0.0146768267,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Nd-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Nd-Te +mp-1078823,Cs2Zr(AgTe2)2,-4.16473185,-0.9895272995,0.0,-0.110588607,GGA,C222,A2B2C4D_oC18_21_ac_k_l_b:Ag-Cs-Te-Zr,9.0,A2B2C4D_oC18_21_ac_k_l_b:Ag-Cs-Te-Zr +mp-667336,Cs4Zr3Te16,-4.4928616622,-1.0355744591,0.0,-0.0400426655,GGA,P2_1/c,A4B16C3_mP92_14_4e_16e_3e:Cs-Te-Zr,92.0,"Invalid WP multiplicities - A4B16C3_mP92_14_14e_62e_10e:Cs-Te-Zr, expected Cs7Zr5Te31 to be Cs4Zr3Te16" +mp-1111634,Rb2InAgCl6,-3.576186605,-1.7125338212,0.0,-0.054304049,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-Rb +mp-1027818,TeMo2Se3,-6.7454897392,-0.8584329814,0.0215333025,0.0215333025,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-Se-Te,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-Se-Te +mp-1027682,TeMo2Se3,-6.74544176,-0.8583850023,0.0215812817,0.0215812817,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-Se-Te,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-Se-Te +mp-1217314,TeMo2Se3,-6.7476972767,-0.8606405189,0.019325765,0.019325765,GGA,P3m1,A2B3C_hP6_156_ab_a2b_a:Mo-Se-Te,6.0,A2B3C_hP6_156_ab_a2b_a:Mo-Se-Te +mp-1025733,Te4Mo3Se2,-6.46439742,-0.6752866579,0.0250899744,0.0250899744,GGA,P3m1,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-Se-Te,9.0,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-Se-Te +mp-1025685,Te4Mo3Se2,-6.4642417644,-0.6751310024,0.02524563,0.02524563,GGA,P-6m2,A3B2C4_hP9_187_ah_h_2g:Mo-Se-Te,9.0,"Invalid WP multiplicities - A3B2C4_hP9_187_ah_h_3g:Mo-Se-Te, expected Te6Mo3Se2 to be Te4Mo3Se2" +mp-645663,Te2Mo3Se7Br10,-4.5046808825,-0.9217160752,0.0,-0.0320871965,GGA,P-1,A10B3C7D2_aP44_2_10i_3i_7i_2i:Br-Mo-Se-Te,44.0,"Invalid WP multiplicities - A10B3C7D2_aP44_2_20i_3i_13i_2i:Br-Mo-Se-Te, expected Te2Mo3Se13Br20 to be Te2Mo3Se7Br10" +mp-1025876,Te2Mo3Se4,-6.6860982678,-0.8186307092,0.0254176444,0.0254176444,GGA,P3m1,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-Se-Te,9.0,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-Se-Te +mp-1025728,Te2Mo3Se4,-6.6860019056,-0.818534347,0.0255140067,0.0255140067,GGA,P-6m2,A3B4C2_hP9_187_ah_2g_h:Mo-Se-Te,9.0,"Invalid WP multiplicities - A3B4C2_hP9_187_ah_3g_h:Mo-Se-Te, expected Te2(MoSe2)3 to be Te2Mo3Se4" +mp-29190,Te4MoBr,-4.80439483,-0.6424111611000001,0.0,-0.1771062331,GGA,P-1,ABC4_aP12_2_i_i_4i:Br-Mo-Te,12.0,"Invalid WP multiplicities - ABC4_aP12_2_i_i_6i:Br-Mo-Te, expected Te6MoBr to be Te4MoBr" +mp-1030447,Te3Mo2Se,-6.4134332508,-0.6439116879,0.0205470142,0.0205470142,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-Se-Te,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-Se-Te +mp-1030721,Te3Mo2Se,-6.4128631017,-0.6433415387,0.0211171633,0.0211171633,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-Se-Te,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-Se-Te +mp-1217371,Te3Mo2Se,-6.4163293367,-0.6468077737,0.0176509283,0.0176509283,GGA,P3m1,A2BC3_hP6_156_ab_a_a2b:Mo-Se-Te,6.0,A2BC3_hP6_156_ab_a_a2b:Mo-Se-Te +mp-1023948,TeMoSe,-6.571582045,-0.7432928847,0.0289196083,0.0289196083,GGA,P3m1,ABC_hP6_156_ab_2a_2b:Mo-Se-Te,6.0,ABC_hP6_156_ab_2a_2b:Mo-Se-Te +mp-1027683,TeMoSe,-6.5716124892,-0.7433233288000001,0.0288891642,0.0288891642,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-Se-Te,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-Se-Te +mp-1030732,TeMoSe,-6.5724473558,-0.7441581955000001,0.0280542975,0.0280542975,GGA,P3m1,ABC_hP12_156_2a2b_4a_4b:Mo-Se-Te,12.0,ABC_hP12_156_2a2b_4a_4b:Mo-Se-Te +mp-1030393,TeMoSe,-6.5722033392,-0.7439141788,0.0282983142,0.0282983142,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-Se-Te,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-Se-Te, expected Te2Mo3Se2 to be TeMoSe" +mp-1030709,TeMoSe,-6.5717717108,-0.7434825505,0.0287299425,0.0287299425,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-Se-Te,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-Se-Te, expected Te2Mo3Se2 to be TeMoSe" +mp-1217293,TeMoSe,-6.57259082,-0.7443016597000001,0.0279108333,0.0279108333,GGA,P-3m1,ABC_hP6_164_d_d_d:Mo-Se-Te,6.0,ABC_hP6_164_d_d_d:Mo-Se-Te +mp-622262,Te6MoBr3,-3.8964459167,-0.4599888708,0.1472917808,0.1472917808,GGA,P-1,A3BC6_aP40_2_6i_2i_12i:Br-Mo-Te,40.0,"Invalid WP multiplicities - A3BC6_aP40_2_11i_2i_23i:Br-Mo-Te, expected Te23Mo2Br11 to be Te6MoBr3" +mp-571527,Cs2LiInCl6,-3.769727556,-2.0154644259,0.0,-0.0029873521,GGA,R-3m,A6B2CD_hR60_166_2h_2c_ab_c:Cl-Cs-In-Li,20.0,"Invalid WP multiplicities - A6B2CD_hR60_166_7h_4c_ab_c:Cl-Cs-In-Li, expected Cs4LiInCl21 to be Cs2LiInCl6" +mp-1113017,Cs2LiInCl6,-3.756440229,-2.0021770989,0.013287327,0.0102999749,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Li +mp-581533,Cs7(In2Bi3)2,-2.7248494778,-0.3532326364,0.0,-0.0490920378,GGA,P-1,A6B7C4_aP68_2_12i_14i_8i:Bi-Cs-In,68.0,"Invalid WP multiplicities - A6B7C4_aP68_2_22i_28i_16i:Bi-Cs-In, expected Cs14In8Bi11 to be Cs7(In2Bi3)2" +mp-1112889,Cs2InBiCl6,-3.723984909,-1.7765651526,0.0209643207,0.0209643207,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-In +mp-1226727,CdInAgTe3,-3.1965608533,-0.5403863244,0.0143619567,0.0143619567,GGA,Cm,ABCD3_mC12_8_a_a_a_3a:Ag-Cd-In-Te,6.0,ABCD3_mC12_8_a_a_a_3a:Ag-Cd-In-Te +mp-1226959,Cd2InAgTe4,-3.0808276337,-0.5804222804,0.0029660912,0.0029660912,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Ag-Cd-In-Te,8.0,AB2CD4_tI16_121_a_d_b_i:Ag-Cd-In-Te +mp-1226986,Cd3(InTe3)2,-3.0918207609,-0.6252869336,0.0106189691,0.0106189691,GGA,C2,A3B2C6_mC22_5_ac_c_3c:Cd-In-Te,,"Invalid WP multiplicities - A3B2C6_mC22_5_a2c_c_5c:Cd-In-Te, expected Cd5(InTe5)2 to be Cd3(InTe3)2" +mp-21374,Cd(InTe2)2,-3.3310301643,-0.6168186224000001,0.0,-0.0238724767,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cd-In-Te,7.0,AB2C4_tI14_82_a_bc_g:Cd-In-Te +mp-1096114,CdInAg2,-1.445990395,0.8889309792000001,0.9335610057,0.9335610057,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Cd-In,4.0,A2BC_oI8_71_e_a_b:Ag-Cd-In +mp-1226985,Cd2In3Ag3Te8,-3.27257659,-0.5385174733,0.0019107625,0.0019107625,GGA,P-4,A3B2C3D8_tP16_81_ag_bd_cg_2h:Ag-Cd-In-Te,16.0,"Invalid WP multiplicities - A3B2C3D8_tP16_81_ag_bd_cg_7h:Ag-Cd-In-Te, expected Cd2In3Ag3Te28 to be Cd2In3Ag3Te8" +mp-1113548,Rb2HgBiCl6,-3.323093222,-1.603447462,0.0379366242,0.0379366242,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Hg-Rb +mp-1221918,Mn2CrGa3Se8,-5.30154001,-0.6566358712,0.1586245389,0.1586245389,GGA,R3m,AB3C2D8_hR42_160_a_3a_2a_8a:Cr-Ga-Mn-Se,14.0,AB3C2D8_hR42_160_a_3a_2a_8a:Cr-Ga-Mn-Se +mp-1215106,CeGe3Pt5,-6.2613705661,-0.6882773083,0.0083711139,0.0083711139,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Ce-Ge-Pt,36.0,AB3C5_oP36_62_c_3c_5c:Ce-Ge-Pt +mp-1222938,LaCePt2,-6.871635275,-1.11879455,0.0147411263,0.0147411263,GGA,Amm2,ABC2_oC8_38_a_b_ab:Ce-La-Pt,4.0,ABC2_oC8_38_a_b_ab:Ce-La-Pt +mp-1226686,CeGePt,-6.5491970517,-1.006780275,0.1098439479,-0.0683161262,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Ge-Pt,,ABC_mC12_12_i_i_i:Ce-Ge-Pt +mp-627355,CeGePt,-6.6590409996,-1.1166242229,0.0,-0.1781600742,GGA,Pmmn,ABC_oP24_59_abe_2e_2e:Ce-Ge-Pt,24.0,"Invalid WP multiplicities - ABC_oP24_59_2ab3e_3e_4e:Ce-Ge-Pt, expected Ce9(Ge3Pt4)2 to be CeGePt" +mp-1189580,CeGe2Pt,-6.1779502319,-0.8653806856,0.0,-0.0279125184,GGA,Immm,AB2C_oI32_71_eg_efn_n:Ce-Ge-Pt,16.0,AB2C_oI32_71_eg_efn_n:Ce-Ge-Pt +mp-1188305,La(Ge3Pt)4,-5.3953942924,-0.4132251956,0.0,-0.0072365551,GGA,Im-3,A12BC4_cI34_204_g_a_c:Ge-La-Pt,17.0,A12BC4_cI34_204_g_a_c:Ge-La-Pt +mp-567664,Ce2Ge4Pt7,-6.3937862085,-0.7894613646,0.0,-0.0023853388,GGA,Pnma,A2B4C7_oP52_62_2c_4c_7c:Ce-Ge-Pt,52.0,"Invalid WP multiplicities - A2B4C7_oP52_62_4c_12c_24c:Ce-Ge-Pt, expected Ce(GePt2)3 to be Ce2Ge4Pt7" +mp-1206251,Ce2Ge6Pt,-5.6143344578,-0.5392812622000001,0.0493127456,0.0493127456,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Pt,9.0,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Pt +mp-1190040,Ce(Ge3Pt)4,-5.4316131918,-0.3907922097,0.0,-0.0049921465,GGA,Im-3,AB12C4_cI34_204_a_g_c:Ce-Ge-Pt,17.0,AB12C4_cI34_204_a_g_c:Ce-Ge-Pt +mp-1223711,LaCe(GePt)4,-6.3206109040000005,-0.956036808,0.0,-0.0223738508,GGA,Pm,AB4CD4_mP10_6_a_2a2b_b_2a2b:Ce-Ge-La-Pt,10.0,AB4CD4_mP10_6_a_2a2b_b_2a2b:Ce-Ge-La-Pt +mp-21218,La(GePt)2,-6.231592208,-0.966726317,0.0012572215,-0.119523319,GGA,P2_1/m,A2BC2_mP10_11_2e_e_2e:Ge-La-Pt,10.0,"Invalid WP multiplicities - A2BC2_tP10_129_2a2c_c_2bc:Ge-La-Pt, expected LaGe4Pt3 to be La(GePt)2" +mp-606511,La(GePt)2,-6.2328494295,-0.9679835385,0.0,-0.1207805405,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Ge-La-Pt,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_7e_e_6e:Ge-La-Pt, expected LaGe7Pt6 to be La(GePt)2" +mp-1080508,La(GePt)2,-6.220748553,-0.955882662,0.0121008765,-0.108679664,GGA,Pmn2_1,A2BC2_oP10_31_2a_a_2a:Ge-La-Pt,10.0,A2BC2_mP10_4_2a_a_2a:Ge-La-Pt +mp-1080546,La(GePt)2,-6.229364122,-0.964498231,0.0034853075,-0.117295233,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ge-La-Pt,10.0,A2BC2_tP10_129_ac_c_bc:Ge-La-Pt +mp-21057,La(GePt)2,-6.135508876,-0.870642985,0.0973405535,-0.023439987,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Pt,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Pt +mp-20400,Ce(GePt)2,-6.363624677,-0.8993423760000001,0.0,-0.0419522953,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ge-Pt,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2a2c_2bc:Ce-Ge-Pt, expected CeGe4Pt3 to be Ce(GePt)2" +mp-20110,Ce(GePt)2,-6.26634854,-0.8020662390000001,0.097276137,0.0553238417,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Pt,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Pt +mp-1077797,LaGePt,-6.309701845,-1.0996457517,0.0,-0.1098285128,GGA,I4_1md,ABC_tI12_109_a_a_a:Ge-La-Pt,6.0,ABC_tI12_109_a_a_a:Ge-La-Pt +mp-1225983,Cs4InSbCl12,-3.6515831889,-1.8379868345,0.0,-0.0230764014,GGA,P4/mmm,A12B4CD_tP18_123_ghjk_i_a_d:Cl-Cs-In-Sb,18.0,"Invalid WP multiplicities - A12B4CD_tP18_123_2g2h4j4k_i_a_d:Cl-Cs-In-Sb, expected Cs4InSbCl40 to be Cs4InSbCl12" +mp-1112887,Cs2InSbCl6,-3.697920507,-1.7216495396,0.0605604735,0.0605604735,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Sb +mp-1203584,Ba2GaBiSe5,-4.630743705,-1.4989556582,0.0,-0.0161658867,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-Se,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-Se +mp-27365,BaBiSe3,-4.5765484267000005,-1.3271087262,0.0,-0.0132541688,GGA,P2_12_12_1,ABC3_oP40_19_2a_2a_6a:Ba-Bi-Se,40.0,ABC3_oP40_19_2a_2a_6a:Ba-Bi-Se +mp-1212846,GaBiSe,-3.4589813392,-0.0041491291,0.5474477508,0.5474477508,GGA,I4/mcm,ABC_tI24_140_h_e_h:Bi-Ga-Se,12.0,ABC_tI24_140_h_e_h:Bi-Ga-Se +mp-1237377,GaBiSe,-3.4806356233,-0.0258034133,0.5257934667,0.5257934667,GGA,I4/mcm,ABC_tI24_140_h_e_h:Bi-Ga-Se,12.0,ABC_tI24_140_h_e_h:Bi-Ga-Se +mp-1228368,Ba6(BiSe2)13,-4.4935475169,-1.1083495891,0.0061027483,0.0061027483,GGA,Pm,A6B13C26_mP45_6_3a3b_6a7b_13a13b:Ba-Bi-Se,45.0,A6B13C26_mP45_6_3a3b_6a7b_13a13b:Ba-Bi-Se +mp-571085,Ga2BiSe4,-4.2298912029,-0.8184159049,0.0,-0.0258076704,GGA,P4/nnc,AB2C4_tP28_126_e_cd_k:Bi-Ga-Se,28.0,"Invalid WP multiplicities - AB2C4_tP28_126_e_3c3d_k:Bi-Ga-Se, expected Ga6BiSe4 to be Ga2BiSe4" +mp-1113187,Cs2AlCuCl6,-3.880358309,-1.8076775886,0.1295478636,0.1295478636,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Cu +mp-2456411,CsCuCl3,-3.594660516,-1.4866167116,0.0027453363,-0.003470036,GGA,C2/c,A3BC_mC20_15_ef_e_a:Cl-Cs-Cu,10.0,"Invalid WP multiplicities - A3BC_mC20_15_2e3f_e_c:Cl-Cs-Cu, expected CsCuCl8 to be CsCuCl3" +mp-23032,CsCuCl3,-3.5974058523,-1.4893620479,0.0,-0.0062153723,GGA,P6_122,A3BC_hP30_178_bc_b_a:Cl-Cs-Cu,30.0,A3BC_hP30_178_bc_b_a:Cl-Cs-Cu +mp-567366,CsCuCl3,-3.56486152,-1.4568177156,0.0325443323,0.02632896,GGA,P6_3mc,A3BC_hP10_186_c_b_a:Cl-Cs-Cu,10.0,A3BC_hP10_186_c_b_a:Cl-Cs-Cu +mp-675287,CsCuCl3,-3.54818371,-1.4401399056,0.0492221423,0.04300677,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Cu,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Cu +mp-1191076,AlCuCl4,-4.1151302892,-1.5753087658,0.0015876825,-0.0285054862,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Al-Cl-Cu,24.0,AB4C_oP24_33_a_4a_a:Al-Cl-Cu +mp-28020,AlCuCl4,-4.1167179717,-1.5768964483,0.0,-0.0300931687,GGA,P-42c,AB4C_tP12_112_b_n_e:Al-Cl-Cu,12.0,AB4C_tP12_112_b_n_e:Al-Cl-Cu +mp-27260,CsAlCl4,-4.2222009196,-2.2163467792,0.0,-0.1359561324,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Cl-Cs,24.0,AB4C_oP24_62_c_2cd_c:Al-Cl-Cs +mp-23065,CsCu2Cl3,-3.6970040467,-1.2570997647,0.0,-0.0159647247,GGA,Cmcm,A3BC2_oC24_63_cg_c_e:Cl-Cs-Cu,12.0,A3BC2_oC24_63_cg_c_e:Cl-Cs-Cu +mp-582024,Cs3Cu2Cl5,-3.6881400555,-1.6754096799,0.0,-0.0163159275,GGA,Pnma,A5B3C2_oP40_62_3cd_cd_2c:Cl-Cs-Cu,40.0,"Invalid WP multiplicities - A5B3C2_oP40_62_10c5d_4c5d_8c:Cl-Cs-Cu, expected Cs7(Cu2Cl5)2 to be Cs3Cu2Cl5" +mp-1113233,Cs3AlCl6,-3.92435302,-2.1720527294,0.0597353878,0.0597353878,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Cl-Cs,10.0,AB6C3_cF40_225_a_e_bc:Al-Cl-Cs +mp-616439,Cs2CuCl4,-3.6235993329,-1.725862468,0.0,-0.0177609698,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Cu,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_7c6d_4c_c:Cl-Cs-Cu, expected Cs4CuCl19 to be Cs2CuCl4" +mp-23434,Al2CuCl8,-4.0854809968,-1.6874217595,0.0,-0.0077005023,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Al-Cl-Cu,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Al-Cl-Cu, expected Al2CuCl10 to be Al2CuCl8" +mp-1078399,CsAl,-2.0498967237,0.2705923773,0.2705923773,0.2705923773,GGA,Pnma,AB_oP8_62_c_c:Al-Cs,8.0,AB_oP8_62_c_c:Al-Cs +mp-1063660,CsAl,-1.81192457,0.508564531,0.508564531,0.508564531,GGA,Fd-3m,AB_cF16_227_a_b:Al-Cs,4.0,AB_cF16_227_a_b:Al-Cs +mp-1104062,Sr(GaSe2)2,-4.4284390457,-1.3242488444,0.0,-0.0474812636,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-Se-Sr,14.0,A2B4C_oC28_66_l_kl_a:Ga-Se-Sr +mp-1179118,SrGaCu3Se4,-4.1372567811,-0.6929395148,0.2245066236,0.2245066236,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Ga-Se-Sr,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Ga-Se-Sr +mp-1219712,PrZnAgAs2,-4.27148302,-0.6331945843,0.0267644896,0.0267644896,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-As-Pr-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-As-Pr-Zn +mp-685957,Pr3(ZnAs3)2,-4.6654218991,-0.5911569068,0.2936951889,0.2936951889,GGA,P2_1/m,A6B3C2_mP22_11_6e_3e_2e:As-Pr-Zn,22.0,A6B3C2_mP22_11_12e_6e_4e:As-Pr-Zn +mp-1173548,Pr3(ZnAs3)2,-4.9474972595,-0.8732322673,0.0116198285,0.0116198285,GGA,Pmmn,A6B3C2_oP22_59_ab2e_ae_e:As-Pr-Zn,22.0,"Invalid WP multiplicities - A6B3C2_oP22_59_2a2b5e_2a2e_e:As-Pr-Zn, expected Pr3ZnAs7 to be Pr3(ZnAs3)2" +mp-1219837,Pr2ZnAs4,-5.08756843,-0.8792786100000001,0.0398039163,0.0398039163,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:As-Pr-Zn,7.0,A4B2C_tP7_115_abg_g_c:As-Pr-Zn +mp-978083,Pr2ZnAg,-3.6834862575,-0.2699584767,0.0053246225,0.0053246225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Pr-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Pr-Zn +mp-34611,ZnAgAs,-2.8846724267,0.0324669128,0.1332252973,0.1332252973,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-As-Zn,3.0,ABC_cF12_216_a_c_b:Ag-As-Zn +mp-1220229,Pr(ZnAs)3,-3.7601138579,-0.5404721721,0.0,-0.0086980721,GGA,Ama2,A3BC3_oC28_40_bc_a_bc:As-Pr-Zn,14.0,A3BC3_oC28_40_bc_a_bc:As-Pr-Zn +mp-1189574,YWC2,-9.7393990538,-0.2689159717,0.0,-0.0408595725,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-W-Y,16.0,A2BC_oP16_62_2c_c_c:C-W-Y +mp-7810,UVC2,-10.0928490131,-0.3846872469,0.0,-0.0687733357,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-U-V,16.0,A2BC_oP16_62_2c_c_c:C-U-V +mp-1079332,HfCuSiAs,-6.555757235,-0.5205492012,0.0,-0.002949941,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Cu-Hf-Si,8.0,ABCD_tP8_129_c_a_c_b:As-Cu-Hf-Si +mp-15987,Hf3(Cu2Si)2,-6.82994466,-0.48338579,0.0,-0.0265398045,GGA,P-62m,A4B3C2_hP9_189_ag_f_d:Cu-Hf-Si,9.0,"Invalid WP multiplicities - A4B3C2_hP9_189_a2g_f_d:Cu-Hf-Si, expected Hf3Cu7Si2 to be Hf3(Cu2Si)2" +mp-20401,HfCuSi2,-6.6645221738,-0.4377642338,0.0,-0.0007920825,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Hf-Si,8.0,ABC2_tP8_129_a_c_bc:Cu-Hf-Si +mp-10245,Hf3(CuSi)4,-6.6621000645,-0.4830395291,0.0007151605,0.0007151605,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Hf-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Hf-Si +mp-1207334,Hf2CuSi3,-2.5717467967000003,4.14317634,4.7001349344,4.7001349344,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cu-Hf-Si,6.0,AB2C3_tP6_123_a_g_bg:Cu-Hf-Si +mp-1224317,Hf2SiAs3,-7.2697961417,-0.7169542575000001,0.0,-0.0080496717,GGA,P-4m2,A3B2C_tP6_115_ag_g_b:As-Hf-Si,6.0,A3B2C_tP6_115_ag_g_b:As-Hf-Si +mp-1079688,Hf4CuSi4,-8.0169306378,-0.7247934256,0.0,-0.0088968806,GGA,C2/m,AB4C4_mC18_12_a_2i_2i:Cu-Hf-Si,9.0,AB4C4_mC18_12_a_2i_2i:Cu-Hf-Si +mp-1224354,Hf4CuSi3,-8.1816672688,-0.6561776588,0.0435905269,0.0435905269,GGA,Pmm2,AB4C3_oP8_25_a_abcd_bcd:Cu-Hf-Si,8.0,AB4C3_oP8_25_a_abcd_bcd:Cu-Hf-Si +mp-1206073,Hf2CuSiAs2,-3.35420326,3.1053200017,3.7848669213,3.7848669213,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Cu-Hf-Si,6.0,A2BC2D_tP6_123_g_a_g_b:As-Cu-Hf-Si +mp-22489,HfCuSi,-7.0765341117,-0.582629535,0.0,-0.0390344658,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Hf-Si,12.0,ABC_oP12_62_c_c_c:Cu-Hf-Si +mp-1104535,Hf2CuSi4,-6.9424841871,-0.4117903514,0.0656027295,0.0656027295,GGA,Cmcm,AB2C4_oC28_63_c_2c_4c:Cu-Hf-Si,14.0,AB2C4_oC28_63_c_2c_4c:Cu-Hf-Si +mp-1195574,Ba2GaSe4,-4.6784413927,-1.6999139908,0.0001800395,0.0001800395,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:Ba-Ga-Se,56.0,A2BC4_mP56_14_4e_2e_8e:Ba-Ga-Se +mp-1204617,Ba5(GaSe4)2,-4.7407482133,-1.8328576422,0.0212450573,0.0212450573,GGA,Cmce,A5B2C8_oC120_64_e2g_df_2f3g:Ba-Ga-Se,60.0,A5B2C8_oC120_64_e2g_df_2f3g:Ba-Ga-Se +mp-7841,Ba(GaSe2)2,-4.50003702,-1.3630637492,0.0,-0.0535386549,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Ba-Ga-Se,14.0,"Invalid WP multiplicities - AB2C4_oC28_66_a_l_2kl:Ba-Ga-Se, expected Ba(GaSe3)2 to be Ba(GaSe2)2" +mp-1191072,BaGa4Se7,-4.3545452875,-1.145983673,0.0108647679,0.0108647679,GGA,Pc,AB4C7_mP24_7_a_4a_7a:Ba-Ga-Se,24.0,AB4C7_mP24_7_a_4a_7a:Ba-Ga-Se +mp-1214507,Ba4Ga3Si20,-4.7737925583,-0.1342907647,0.0433115119,0.0433115119,GGA,Pm-3n,A4B3C20_cP54_223_ac_d_ik:Ba-Ga-Si,54.0,A4B3C20_cP54_223_ac_d_ik:Ba-Ga-Si +mp-1228123,Ba5(Ga2Se5)2,-4.5973509974,-1.6149102833,0.0233786087,0.0233786087,GGA,Fmm2,A5B4C10_oF76_42_abc_cd_c2de:Ba-Ga-Se,19.0,"Invalid WP multiplicities - A5B4C10_oF76_42_abc_cd_c4d2e:Ba-Ga-Se, expected Ba5(Ga2Se9)2 to be Ba5(Ga2Se5)2" +mp-1227978,BaGa2SiSe6,-4.60737375,-1.1697783619,0.014068743,0.014068743,GGA,P1,AB2C6D_aP10_1_a_2a_6a_a:Ba-Ga-Se-Si,10.0,AB2C6D_aP10_1_a_2a_6a_a:Ba-Ga-Se-Si +mp-1227940,BaGaSi,-3.8859720767,-0.4285090792,0.0,-0.0261849929,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Ga-Si,3.0,ABC_hP3_187_b_c_e:Ba-Ga-Si +mp-14447,Ba2SiSe4,-5.0457900293,-1.7248023406000002,0.0,-0.0916492079,GGA,P2_1/m,A2B4C_mP14_11_2e_2ef_e:Ba-Se-Si,14.0,"Invalid WP multiplicities - A2B4C_mP14_11_2e_2e2f_e:Ba-Se-Si, expected Ba2SiSe6 to be Ba2SiSe4" +mp-1217841,Tb(CuSe)3,-4.85290365,-0.9358007153,0.0100452846,0.0100452846,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Se-Tb,14.0,A3B3C_hR42_148_f_f_c:Cu-Se-Tb +mp-685414,Tb11CuSe16,-5.9337221284,-1.9690143637,0.097865821,0.097865821,GGA,P2_12_12,AB16C11_oP56_18_a_8c_b5c:Cu-Se-Tb,56.0,"Invalid WP multiplicities - AB16C11_oP56_18_a_30c_2b19c:Cu-Se-Tb, expected Tb40CuSe60 to be Tb11CuSe16" +mp-568779,Tb3CuSiSe7,-5.5857749071,-1.5941912951,0.0,-0.0201977352,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Si-Tb,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b6c_b_c:Cu-Se-Si-Tb, expected Tb3CuSiSe20 to be Tb3CuSiSe7" +mp-15896,Cu2SiSe3,-4.5357676,-0.5171899662,0.0,-0.0001979712,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-Se-Si,12.0,A2B3C_mC24_9_2a_3a_a:Cu-Se-Si +mp-10428,Cu8SiSe6,-4.2596325467,-0.3133365296,0.0545248898,0.0545248898,GGA,Pmn2_1,A8B6C_oP30_31_2a3b_4ab_a:Cu-Se-Si,30.0,"Invalid WP multiplicities - A8B6C_oP30_31_2a7b_4a2b_a:Cu-Se-Si, expected Cu16SiSe8 to be Cu8SiSe6" +mp-12984,TbCuSe2,-5.38534764,-1.4539987087,0.0,-0.0065199281,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cu-Se-Tb,16.0,AB2C_mP16_14_e_2e_e:Cu-Se-Tb +mp-1173121,TbCuSe2,-5.3808452225,-1.4494962912,0.0045024175,-0.0020175106,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Se-Tb,4.0,AB2C_hP4_156_a_ab_c:Cu-Se-Tb +mp-1217751,Tb3CuSe6,-5.6036919147,-1.7059145312,0.0233871568,0.0233871568,GGA,P2_1/c,AB6C3_mP40_14_e_6e_3e:Cu-Se-Tb,40.0,"Invalid WP multiplicities - AB6C3_mP40_14_e_12e_6e:Cu-Se-Tb, expected Tb6CuSe12 to be Tb3CuSe6" +mp-3179,Tb3(CuSi)4,-5.3376097718,-0.6102282173,0.00168055,0.00168055,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Tb,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Tb +mp-1217586,TbCuSi,-5.3306614333,-0.6110311667,0.03361689,-0.0186480325,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-Tb,3.0,ABC_hP3_187_a_c_f:Cu-Si-Tb +mp-5514,TbCuSi,-5.3642783233,-0.6446480567,0.0,-0.0522649225,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Tb,6.0,ABC_hP6_194_c_d_a:Cu-Si-Tb +mp-3456,Tb(CuSi)2,-5.30930472,-0.57262162,0.0,-0.1150792835,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Tb +mp-675739,Ce5CuSe8,-6.2643974929,-1.8549729024,0.0596060859,0.0596060859,GGA,I-4,A5BC8_tI28_82_ag_c_2g:Ce-Cu-Se,14.0,"Invalid WP multiplicities - A5BC8_tI28_82_a2g_c_6g:Ce-Cu-Se, expected Ce9CuSe24 to be Ce5CuSe8" +mp-4473,Ba(CuSe)2,-4.4923102715,-1.0704680244,0.004022121,0.004022121,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Ba-Cu-Se,20.0,AB2C2_oP20_62_c_2c_2c:Ba-Cu-Se +mp-10437,Ba(CuSe)2,-4.459475736,-1.0376334889,0.0368566565,0.0368566565,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Cu-Se,5.0,AB2C2_tI10_139_a_d_e:Ba-Cu-Se +mp-11791,CeCuSe2,-5.7013409762,-1.4453112812,0.0,-0.007137275,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ce-Cu-Se,16.0,ABC2_mP16_14_e_e_2e:Ce-Cu-Se +mp-642,BaCu13,-3.9509970096,-0.0075211775,0.0029819446,0.0029819446,GGA,Fm-3c,AB13_cF112_226_a_bi:Ba-Cu,28.0,AB13_cF112_226_a_bi:Ba-Cu +mp-30428,BaCu,-3.08261266,-0.073521855,0.0,-0.0694719902,GGA,P6_3/mmc,AB_hP8_194_f_bc:Ba-Cu,8.0,"Invalid WP multiplicities - AB_hP8_194_f_2bc:Ba-Cu, expected Ba2Cu3 to be BaCu" +mp-28243,RbLiCl2,-3.8347457262,-2.1881131615,0.0027852375,0.0027852375,GGA,Cmcm,A2BC_oC16_63_ac_c_c:Cl-Li-Rb,8.0,A2BC_oC16_63_ac_c_c:Cl-Li-Rb +mp-1114627,Rb3LaCl6,-4.3514828,-2.4545998717,0.0801194003,0.0801194003,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-La-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-La-Rb +mp-1209610,Rb2LaCl5,-4.6246507803,-2.6071809616,0.0,-0.0511282622,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-La-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-La-Rb +mp-1113975,Rb2LiLaCl6,-4.460569422,-2.4708476143,0.0422820118,0.0422820118,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-La-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-La-Li-Rb +mp-640052,Cs2AgBr3,-3.1938478004,-1.6467735108,0.0,-0.0156905754,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-Br-Cs,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_9c_4c:Ag-Br-Cs, expected Cs4AgBr9 to be Cs2AgBr3" +mp-1185567,CsCe,-2.577268985,0.8369767785000001,0.8369767785000001,0.8369767785000001,GGA,P-6m2,AB_hP2_187_a_d:Ce-Cs,2.0,AB_aP2_1_a_a:Ce-Cs +mp-1113262,Cs2CeAgBr6,-3.928700945,-1.9412389568,0.0,-0.0229052633,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-Cs,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-Cs +mp-998344,CsAgBr3,-2.969397006,-1.2919883329,1.9794e-05,-0.0170946989,GGA,Pm,AB3C_mP5_6_a_2ab_b:Ag-Br-Cs,5.0,AB3C_cP5_221_b_c_a:Ag-Br-Cs +mp-1399321,CsAgBr3,-2.9694168,-1.2920081269,0.0,-0.0171144929,GGA,Amm2,AB3C_oC10_38_a_bd_b:Ag-Br-Cs,5.0,AB3C_cP5_221_b_c_a:Ag-Br-Cs +mp-1946459,CsAgBr3,-2.96691858,-1.2895099069,0.00249822,-0.0146162729,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-Br-Cs,5.0,AB3C_cP5_221_b_c_a:Ag-Br-Cs +mp-23454,CsAgBr2,-3.0990095725,-1.3905058136,0.0136407216,0.0136407216,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ag-Br-Cs,8.0,AB2C_oC16_63_c_2c_c:Ag-Br-Cs +mp-571100,CsAgBr2,-3.1077040225,-1.3992002636,0.0049462716,0.0049462716,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ag-Br-Cs,8.0,"Invalid WP multiplicities - AB2C_tP8_129_c_2ac_c:Ag-Br-Cs, expected CsAgBr3 to be CsAgBr2" +mp-1186036,Na3Cu,-1.7928102925,0.2238853451,0.2238853451,0.2238853451,GGA,I4/mmm,AB3_tI8_139_a_bd:Cu-Na,4.0,AB3_tI8_139_a_bd:Cu-Na +mp-982381,NaCu3,-3.0891664775,0.3158698484,0.3158698484,0.3158698484,GGA,I4/mmm,A3B_tI8_139_ad_b:Cu-Na,4.0,A3B_tI8_139_ad_b:Cu-Na +mp-1185666,NaCu3,-3.0789699175,0.3260664084,0.3260664084,0.3260664084,GGA,Pm-3m,A3B_cP4_221_c_a:Cu-Na,4.0,A3B_cP4_221_c_a:Cu-Na +mp-1111042,Na2TmCuCl6,-4.160224282,-1.929093018,0.2264578853,0.2264578853,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tm +mp-1210289,Na3TmCl6,-4.3196570525,-2.3661939261,0.1196820405,-0.002894816,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Cl-Na-Tm,20.0,A6B3C_mP20_14_3e_ae_b:Cl-Na-Tm +mp-1111504,Na3TmCl6,-4.439339093,-2.4858759666,0.0,-0.1225768565,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Tm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Tm +mp-1209998,NaTmCl4,-4.7311720242,-2.532420798,0.0512173553,0.0512173553,GGA,P2/c,A4BC_mP12_13_2g_e_f:Cl-Na-Tm,12.0,A4BC_mP12_13_2g_e_f:Cl-Na-Tm +mp-976292,NaCu,-2.32089906,0.3899669217,0.3899669217,0.3899669217,GGA,P-6m2,AB_hP2_187_a_d:Cu-Na,2.0,AB_hP2_187_a_d:Cu-Na +mp-1209961,NaTbCl4,-4.7543130267,-2.5291400211,0.0,-0.0101308292,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Na-Tb,12.0,A4BC_aP12_2_4i_i_i:Cl-Na-Tb +mp-1113313,Na3TbCl6,-4.194996496,-2.225680302,0.135650342,0.135650342,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Tb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Tb +mp-1113318,Na2LiTbCl6,-4.272199738,-2.2442437866,0.1225483985,0.1225483985,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tb +mp-567185,SnHg6(As2Br3)2,-2.5615477749,-0.5741185016,0.0,-0.0183493907,GGA,P2_13,A4B6C6D_cP68_198_4a_2b_2b_a:As-Br-Hg-Sn,68.0,"Invalid WP multiplicities - A4B6C6D_cP68_198_12a_10b_15b_a:As-Br-Hg-Sn, expected SnHg45(As2Br5)6 to be SnHg6(As2Br3)2" +mp-28899,Hg2As3Br,-2.9338455742000003,-0.2442215283,0.0004623433,0.0004623433,GGA,C2/c,A3BC2_mC24_15_ef_e_f:As-Br-Hg,12.0,"Invalid WP multiplicities - A3BC2_mC24_15_e2f_e_f:As-Br-Hg, expected Hg2As5Br to be Hg2As3Br" +mp-29078,Hg4As2Br3,-2.1718015794,-0.4837967728,0.0055709706,0.0055709706,GGA,Pa-3,A2B3C4_cP72_205_2c_d_cd:As-Br-Hg,72.0,A2B3C4_cP72_205_2c_d_cd:As-Br-Hg +mp-504876,Hg19(As5Br9)2,-2.2585284081,-0.5496854097,0.0125668912,0.0125668912,GGA,P-1,A10B18C19_aP47_2_5i_9i_a9i:As-Br-Hg,47.0,A10B18C19_aP47_2_5i_9i_a9i:As-Br-Hg +mp-975051,Rb3Ag,-1.3072734125,0.1362661427,0.1362661427,0.1362661427,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-Rb,4.0,AB3_cP4_221_a_c:Ag-Rb +mp-1190502,RbDy2Ag3Te5,-4.1961845468,-1.0681567987,0.0,-0.022956365,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Ag-Dy-Rb-Te,22.0,A3B2CD5_oC44_63_cf_f_c_c2f:Ag-Dy-Rb-Te +mp-4024,DyAgTe2,-4.5572283875,-1.12573973,0.0,-0.0112905025,GGA,P-42_1m,ABC2_tP8_113_a_c_e:Ag-Dy-Te,8.0,ABC2_tP8_113_a_c_e:Ag-Dy-Te +mp-1225301,DyAgTe2,-4.5380180275,-1.10652937,0.01921036,0.0079198575,GGA,P3m1,ABC2_hP4_156_a_b_ac:Ag-Dy-Te,4.0,ABC2_hP4_156_a_b_ac:Ag-Dy-Te +mp-10481,RbAg3Te2,-3.1589978967,-0.5315289185000001,0.0,-0.0808295164,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Rb-Te,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_6i_i_3i:Ag-Rb-Te, expected Rb(Ag2Te)3 to be RbAg3Te2" +mp-1186054,Na3Ga,-1.7162967275,0.0326212482,0.1002898077,0.1002898077,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ga-Na,8.0,AB3_hP8_194_c_h:Ga-Na +mp-1186028,Na3Ga,-1.713101415,0.0358165607,0.1034851202,0.1034851202,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-Na,4.0,AB3_cP4_221_a_c:Ga-Na +mp-1186045,Na3Ga,-1.7144545525,0.0344634232,0.1021319827,0.1021319827,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-Na,4.0,AB3_cF16_225_a_bc:Ga-Na +mp-1110731,Rb3GaBr6,-3.225924519,-1.697137697,0.111442366,0.111442366,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-Ga-Rb,10.0,A6BC3_cF40_225_e_a_bc:Br-Ga-Rb +mp-1065711,NaGa,-2.1022091875,0.0731014705,0.2084385894,0.2084385894,GGA,Cmcm,AB_oC8_63_c_c:Ga-Na,4.0,AB_oC8_63_c_c:Ga-Na +mp-1179861,NaGa,-2.1774687325,-0.0021580745,0.1331790444,0.1331790444,GGA,Cmcm,AB_oC8_63_c_c:Ga-Na,4.0,AB_oC8_63_c_c:Ga-Na +mp-571095,Na7Ga13,-2.607084522,-0.1759382547,0.0,-0.060069902,GGA,R-3m,A13B7_hR360_166_7h3i_3c4hi:Ga-Na,120.0,"Invalid WP multiplicities - A13B7_hR360_166_37h25i_5c21h10i:Ga-Na, expected Na128Ga261 to be Na7Ga13" +mp-1209533,RbGaBr4,-3.3373936883,-1.6339364525,0.0,-0.0767683867,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Ga-Rb,24.0,A4BC_oP24_62_2cd_c_c:Br-Ga-Rb +mp-454,NaGa4,-2.82958908,-0.1426072033,0.0,-0.0420710578,GGA,I4/mmm,A4B_tI10_139_de_a:Ga-Na,5.0,"Invalid WP multiplicities - A4B_tI10_139_2d2e_a:Ga-Na, expected NaGa8 to be NaGa4" +mp-28679,NaGaBr4,-3.2968064517,-1.536350679,0.0,-0.0404881467,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Ga-Na,24.0,A4BC_oP24_62_2cd_c_c:Br-Ga-Na +mp-1110798,Na3GaBr6,-3.095460111,-1.4640759227,0.212386036,0.212386036,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-Ga-Na,10.0,A6BC3_cF40_225_e_a_bc:Br-Ga-Na +mp-1186136,NaGa3,-2.62039796,-0.0186946198,0.135022934,0.135022934,GGA,Pm-3m,A3B_cP4_221_c_a:Ga-Na,4.0,A3B_cP4_221_c_a:Ga-Na +mp-1110631,Rb2NaGaBr6,-3.25085908,-1.6878731359,0.083923607,0.083923607,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Na-Rb +mp-1219426,Sc8CuTe3,-6.1088506097,-0.7597775106,0.0092137716,0.0092137716,GGA,Pm,AB8C3_mP36_6_2ab_12a12b_4a5b:Cu-Sc-Te,36.0,AB8C3_mP36_6_2ab_12a12b_4a5b:Cu-Sc-Te +mp-1194744,Cs3Cu20Te13,-3.8438800294,-0.3568434425,0.0,-0.0185701385,GGA,Fm-3,A3B20C13_cF144_202_ac_fh_bh:Cs-Cu-Te,36.0,A3B20C13_cF144_202_ac_fh_bh:Cs-Cu-Te +mp-1209096,Sc6CuTe2,-6.0685128839,-0.6928869854,0.0117429956,0.0117429956,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Cu-Sc-Te,36.0,AB6C2_oP36_62_c_6c_2c:Cu-Sc-Te +mp-607477,CsSc3(CuTe3)2,-5.0908557958,-1.1782675969,0.0,-0.0454831017,GGA,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Cs-Cu-Sc-Te,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_di_6i:Cs-Cu-Sc-Te, expected CsSc3(CuTe6)2 to be CsSc3(CuTe3)2" +mp-672251,CsGaBr4,-3.3592864879,-1.6700178688,0.0,-0.1047488696,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Cs-Ga,24.0,"Invalid WP multiplicities - A4BC_oP24_62_6c4d_c_c:Br-Cs-Ga, expected CsGaBr14 to be CsGaBr4" +mp-1191527,CsGa2Au3,-3.1144531708,-0.3189131013,0.0,-0.0635078617,GGA,Pnma,A3BC2_oP24_62_3c_c_d:Au-Cs-Ga,24.0,A3BC2_oP24_62_3c_c_d:Au-Cs-Ga +mp-1112368,Cs3GaBr6,-3.241417828,-1.7381705161,0.1017795167,0.1017795167,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-Ga,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-Ga +mp-1192476,CsGa9Au5,-3.2294885333,-0.2616434284,0.0,-0.0142131364,GGA,P6_3/mmc,A5BC9_hP30_194_fh_a_hk:Au-Cs-Ga,30.0,A5BC9_hP30_194_fh_a_hk:Au-Cs-Ga +mp-569984,Cs3Au2Br11,-2.9039996584,-1.2591694868,0.0,-0.0239128873,GGA,P2_1/c,A2B11C3_mP64_14_2e_11e_3e:Au-Br-Cs,64.0,"Invalid WP multiplicities - A2B11C3_mP64_14_3e_42e_8e:Au-Br-Cs, expected Cs8(AuBr14)3 to be Cs3Au2Br11" +mp-1097162,Cs2AuBr,-2.460604735,-0.8061759665,0.394888305,0.394888305,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Br-Cs,4.0,ABC2_oI8_71_a_b_e:Au-Br-Cs +mp-1113416,Cs2GaAuBr6,-3.126136926,-1.3850416513,0.1443761845,0.1443761845,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Ga,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Ga +mp-1112982,Cs3AuBr6,-2.946304863,-1.4184789534,0.1363080256,0.1363080256,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Br-Cs,10.0,AB6C3_cF40_225_a_e_bc:Au-Br-Cs +mp-569548,CsAuBr3,-3.037363019,-1.2716891466,0.0,-0.0548687292,GGA,I4/mmm,AB3C_tI20_139_ab_eh_d:Au-Br-Cs,10.0,"Invalid WP multiplicities - AB3C_tI20_139_ab_2e2h_d:Au-Br-Cs, expected CsAuBr6 to be CsAuBr3" +mp-1112987,CsAuBr3,-2.98430326,-1.2186293876,0.053059759,-0.0018089702,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Br-Cs,5.0,AB3C_cP5_221_b_c_a:Au-Br-Cs +mp-9295,TaCu3Te4,-5.06673252,-0.4756548683,0.0,-0.0956041114,GGA,P-43m,A3BC4_cP8_215_c_b_e:Cu-Ta-Te,8.0,A3BC4_cP8_215_c_b_e:Cu-Ta-Te +mp-1224528,In5CuTe8,-3.6154813193,-0.5437618574,0.0,-0.0081713447,GGA,C2,AB5C8_mC28_5_a_a2bc_4c:Cu-In-Te,14.0,"Invalid WP multiplicities - AB5C8_mC28_5_a_a2bc_8c:Cu-In-Te, expected In5CuTe16 to be In5CuTe8" +mp-20505,Ta2InCuTe4,-5.2847792725,0.1076793817,0.6154230726000001,0.6154230726000001,GGA,I-42m,ABC2D4_tI16_121_a_b_d_i:Cu-In-Ta-Te,8.0,ABC2D4_tI16_121_a_b_d_i:Cu-In-Ta-Te +mp-1224091,InCuTe2,-3.7641313325,-0.4797557858,0.0013828113,-0.0437266775,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cu-In-Te,4.0,ABC2_tP4_115_a_c_g:Cu-In-Te +mp-22261,InCuTe2,-3.7655141437,-0.4811385971,0.0,-0.0451094887,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-In-Te,8.0,ABC2_tI16_122_a_b_d:Cu-In-Te +mp-1223863,InCuTe2,-3.5309877725,-0.2466122258,0.2345263712,0.1894168825,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cu-In-Te,4.0,ABC2_tP4_123_a_d_bc:Cu-In-Te +mp-1224060,InCuTe2,-3.72079367,-0.4364181233,0.0447204737,-0.000389015,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-In-Te,4.0,ABC2_hR12_160_a_a_2a:Cu-In-Te +mp-1096445,CsRb2Bi,-1.06873015,0.6055097618,0.9252454417,0.9252454417,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cs-Rb,4.0,ABC2_oI8_71_a_b_e:Bi-Cs-Rb +mp-1185546,CsRb2Bi,-1.99272878,-0.3184888682,0.0012468117,0.0012468117,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Cs-Rb,4.0,ABC2_cF16_225_a_b_c:Bi-Cs-Rb +mp-1110734,Rb3BiCl6,-3.713457147,-1.9261260162,0.0,-0.0174834685,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Cl-Rb,10.0,AB6C3_cF40_225_a_e_bc:Bi-Cl-Rb +mp-570123,Cs3BiCl6,-3.781789411,-2.0199977904,0.0,-0.0256805635,GGA,C2/c,AB6C3_mC80_15_ce_6f_3f:Bi-Cl-Cs,40.0,"Invalid WP multiplicities - AB6C3_mC80_15_2a2e_20f_11f:Bi-Cl-Cs, expected Cs11(BiCl10)2 to be Cs3BiCl6" +mp-1112371,Cs3BiCl6,-3.727910622,-1.9661190014,0.053878789,0.0281982255,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Cl-Cs,10.0,AB6C3_cF40_225_a_e_bc:Bi-Cl-Cs +mp-1112129,Cs2RbBiCl6,-3.753247951,-1.9829431603,0.0179187323,0.0179187323,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Rb +mp-1204727,Cs3Bi2Cl9,-3.8105800111,-1.8817217742,0.0008956396,-0.0376383243,GGA,Pnma,A2B9C3_oP56_62_2c_3c3d_3c:Bi-Cl-Cs,56.0,A2B9C3_oP56_62_2c_3c3d_3c:Bi-Cl-Cs +mp-1104268,Cs3Bi2Cl9,-3.8114756507,-1.8826174138,0.0,-0.0385339639,GGA,P321,A2B9C3_hP14_150_d_eg_ad:Bi-Cl-Cs,14.0,A2B9C3_hP14_150_d_eg_ad:Bi-Cl-Cs +mp-1225613,EuInGe,-6.3629359483,-0.4856981533,0.0377619363,0.0377619363,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:Eu-Ge-In,12.0,ABC_oP12_19_a_a_a:Eu-Ge-In +mp-1227823,Ca2Eu2In3Ge4,-5.1736612509,-0.5125370718,0.0215493948,0.0215493948,GGA,C2/m,A2B2C4D3_mC22_12_i_i_2i_ai:Ca-Eu-Ge-In,11.0,A2B2C4D3_mC22_12_i_i_2i_ai:Ca-Eu-Ge-In +mp-865553,CaEuIn2,-4.910551765,-0.46905948,0.0,-0.0273462473,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-In,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-In +mp-4142,MnSbPd,-6.2508023367,-0.0938362226,0.2645411507,0.2645411507,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Pd-Sb,3.0,ABC_cF12_216_c_a_b:Mn-Pd-Sb +mp-1221408,Mn5In4SbPd10,-6.0189479015,-0.3817163655,0.0069110883,0.0069110883,GGA,R-3m,A4B5C10D_hR60_166_2c_a2c_5c_b:In-Mn-Pd-Sb,20.0,"Invalid WP multiplicities - A4B5C10D_hR60_166_3c_a4c_10c_b:In-Mn-Pd-Sb, expected Mn9In6SbPd20 to be Mn5In4SbPd10" +mp-3499,MnSbPd2,-6.239910645,-0.327215607,0.0425397942,0.0425397942,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Mn-Pd-Sb +mp-1221726,Mn4InSb3,-6.471150675,0.0021929023,0.1176453918,0.1176453918,GGA,P-6m2,AB4C3_hP8_187_a_2h_bi:In-Mn-Sb,8.0,"Invalid WP multiplicities - AB4C3_hP8_187_a_3h_bi:In-Mn-Sb, expected Mn6InSb3 to be Mn4InSb3" +mp-31328,MnInPd2,-5.9617111275,-0.393345467,0.0,-0.0063084501,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:In-Mn-Pd +mp-1221865,Mn2InSbPd4,-6.1067691925,-0.3662388432,0.0153115909,0.0153115909,GGA,R-3m,AB2C4D_hR24_166_a_c_2c_b:In-Mn-Pd-Sb,8.0,"Invalid WP multiplicities - AB2C4D_hR24_166_a_c_3c_b:In-Mn-Pd-Sb, expected Mn2InSbPd6 to be Mn2InSbPd4" +mp-510528,GdCuSe2,-7.764767628099999,-1.4729796618,0.0,-0.0119844131,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Gd-Se,16.0,ABC2_mP16_14_e_e_2e:Cu-Gd-Se +mp-1224581,GdCu5Se4,-5.495527494,-0.6399473439000001,0.1102299538,0.1102299538,GGA,C2/m,A5BC4_mC20_12_a2i_d_2i:Cu-Gd-Se,10.0,"Invalid WP multiplicities - A5BC4_mC20_12_a4i_c_4i:Cu-Gd-Se, expected GdCu9Se8 to be GdCu5Se4" +mp-1194410,Ba(GdSe2)2,-8.547751055700001,-2.2541988656,0.0,-0.0469762389,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Gd-Se,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Gd-Se +mp-20157,BaGdCuSe3,-6.9200224833,-1.8230161028,0.0,-0.0603625373,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Gd-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Ba-Cu-Gd-Se, expected BaGdCuSe5 to be BaGdCuSe3" +mp-1220427,Nb6AgSe8,-7.0670190287,-0.9731738244,0.0853405802,0.0853405802,GGA,P-3,AB6C8_hP15_147_a_g_dg:Ag-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:Ag-Nb-Se +mp-662241,Rb2NbAgSe4,-4.771615655,-1.1617937676,0.0056111462,-0.1417321599,GGA,Cc,ABC2D4_mC32_9_a_a_2a_4a:Ag-Nb-Rb-Se,16.0,ABC2D4_aP16_1_2a_2a_4a_8a:Ag-Nb-Rb-Se +mp-9764,Rb2NbAgSe4,-4.7772268012,-1.1674049139,0.0,-0.1473433061,GGA,Fddd,ABC2D4_oF64_70_a_b_e_h:Ag-Nb-Rb-Se,16.0,ABC2D4_oF64_70_a_b_e_h:Ag-Nb-Rb-Se +mp-29685,RbAg5Se3,-3.3081430778,-0.4602487975,0.0001695878,0.0001695878,GGA,P4/nbm,A5BC3_tP18_125_am_d_cg:Ag-Rb-Se,18.0,"Invalid WP multiplicities - A5BC3_tP18_125_2a3m_d_2c2g:Ag-Rb-Se, expected Rb(Ag7Se3)2 to be RbAg5Se3" +mp-1219672,Rb(Nb3Se4)2,-7.1181830013,-1.1478059257,0.0,-0.0342219135,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Rb-Se,15.0,A6BC8_hP15_147_g_a_dg:Nb-Rb-Se +mp-974869,Rb3Nb,-2.07942497,1.1813018444,1.1813018444,1.1813018444,GGA,I4/mmm,AB3_tI8_139_a_bd:Nb-Rb,4.0,AB3_tI8_139_a_bd:Nb-Rb +mp-1186858,Rb3Nb,-2.0741181012,1.1866087131,1.1866087131,1.1866087131,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Rb,8.0,AB3_hP8_194_c_h:Nb-Rb +mp-10477,RbAg3Se2,-3.323370785,-0.5783666120000001,0.0,-0.0391417938,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Rb-Se,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_5i_i_3i:Ag-Rb-Se, expected RbAg5Se3 to be RbAg3Se2" +mp-18585,RbAgSe4,-3.6638759437,-0.6977532793,0.0,-0.0511071428,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Ag-Rb-Se,24.0,ABC4_oP24_19_a_a_4a:Ag-Rb-Se +mp-1027871,Mg14CuNi,-1.9982210294,0.0194829737,0.0875650594,0.0875650594,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Ni, expected Mg18CuNi to be Mg14CuNi" +mp-1027804,Mg14CuNi,-1.9863390875,0.0313649156,0.0994470012,0.0994470012,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Ni, expected Mg26CuNi to be Mg14CuNi" +mp-1180284,MgCu3NiSe4,-4.2400374256,-0.4998504644,0.1297780008,0.1297780008,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Ni-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Ni-Se +mp-1222193,Mg4CuNi,-2.8576586544,-0.1442480628,0.0017066494,0.0017066494,GGA,P6_222,AB4C_hP18_180_c_fj_a:Cu-Mg-Ni,18.0,AB4C_hP18_180_c_fj_a:Cu-Mg-Ni +mp-1022124,Mg6CuNi,-2.3919788856,0.0431490706,0.1579547322,0.1579547322,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Ni, expected Mg12CuNi to be Mg6CuNi" +mp-1099282,Mg6CuNi,-2.3893123313,0.045815625,0.1606212866,0.1606212866,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:Cu-Mg-Ni +mp-1407385,Cu2GeSe4,-4.2613332257,-0.4320350678,0.0393228617,0.0393228617,GGA,I-42m,A2BC4_tI14_121_d_a_i:Cu-Ge-Se,7.0,A2BC4_tI14_121_d_a_i:Cu-Ge-Se +mp-677105,Cu2GeSe3,-4.3618769258,-0.4770143212,0.0040759375,-0.053198586,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cu-Ge-Se,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_5a:Cu-Ge-Se, expected Cu4GeSe5 to be Cu2GeSe3" +mp-1225866,Cu2GeSe3,-4.358918575,-0.4740559703,0.0070342883,-0.0502402352,GGA,Fdd2,A2BC3_oF96_43_2ab_b_3b:Cu-Ge-Se,24.0,"Invalid WP multiplicities - A2BC3_oF96_43_3a2b_b_11b:Cu-Ge-Se, expected Cu7(GeSe11)2 to be Cu2GeSe3" +mp-4728,Cu2GeSe3,-4.3659528633,-0.4810902587,0.0,-0.0572745235,GGA,Imm2,A2BC3_oI12_44_c_a_bc:Cu-Ge-Se,6.0,A2BC3_oI12_44_c_a_bc:Cu-Ge-Se +mp-1225860,Cu8GeSe6,-4.1836875317,-0.2908775263,0.0625440102,0.0625440102,GGA,Cc,A8BC6_mC60_9_8a_a_6a:Cu-Ge-Se,30.0,"Invalid WP multiplicities - A8BC6_mC60_9_16a_a_9a:Cu-Ge-Se, expected Cu16GeSe9 to be Cu8GeSe6" +mp-570393,Cu8GeSe6,-4.1887151501,-0.2959051447,0.0575163917,0.0575163917,GGA,P6_3cm,A8BC6_hP90_185_2c3d_ab_ab3cd:Cu-Ge-Se,90.0,"Invalid WP multiplicities - A8BC6_hP90_185_10c28d_2a2b_2a4b15c8d:Cu-Ge-Se, expected Cu198Ge6Se103 to be Cu8GeSe6" +mp-4840,GaCuSe2,-4.2436439275,-0.7138625155,0.0,-0.0581203593,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-Ga-Se,8.0,ABC2_tI16_122_a_b_d:Cu-Ga-Se +mp-1224788,GaCuSe2,-3.9946596425,-0.4648782305,0.248984285,0.1908639257,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cu-Ga-Se,4.0,ABC2_tP4_123_a_d_bc:Cu-Ga-Se +mp-38505,GaCuSe2,-4.0075933488,-0.4778119368,0.2360505787,0.1779302195,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Cu-Ga-Se,8.0,ABC2_tI16_141_a_b_e:Cu-Ga-Se +mp-1224851,GaCuGeSe4,-4.3344986971,-0.658216346,0.0,-0.0020138734,GGA,I-4,ABCD4_tI14_82_a_c_b_g:Cu-Ga-Ge-Se,7.0,ABCD4_tI14_82_a_c_b_g:Cu-Ga-Ge-Se +mp-676349,Ga7(CuSe4)3,-4.1773015532,-0.7479729214,0.0360189095,0.0360189095,GGA,Cm,A3B7C12_mC44_8_3a_7a_12a:Cu-Ga-Se,22.0,A3B7C12_mC44_8_3a_7a_12a:Cu-Ga-Se +mp-1212666,Ga5CuSe8,-4.1937119571,-0.8217849140000001,0.0022808114,0.0022808114,GGA,P-42m,AB5C8_tP14_111_a_bm_2n:Cu-Ga-Se,14.0,AB5C8_tP14_111_a_bm_2n:Cu-Ga-Se +mp-1203845,Ho4In20Ni11,-4.1769760786,-0.2642671197,0.0162351313,0.0162351313,GGA,C2/m,A4B20C11_mC70_12_2i_10i_a5i:Ho-In-Ni,35.0,A4B20C11_mC70_12_2i_10i_a5i:Ho-In-Ni +mp-1191532,Ho5(In2Ni)2,-4.6542711832,-0.5198118532,0.0,-0.0385013723,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Ni,22.0,A5B4C2_oP22_55_a2g_2h_h:Ho-In-Ni +mp-1190749,HoIn2Ni9,-5.3932977229,-0.2177138521,0.0098788587,0.0098788587,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Ho-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Ho-In-Ni +mp-1206024,HoInNi4,-5.4727072483,-0.3969340283,0.0,-0.0535199626,GGA,F-43m,ABC4_cF24_216_a_c_e:Ho-In-Ni,6.0,ABC4_cF24_216_a_c_e:Ho-In-Ni +mp-4291,Ho(NiGe)2,-5.7624539200000005,-0.6847063320000001,0.0,-0.052015812,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Ho-Ni,5.0,A2BC2_tI10_139_e_a_d:Ge-Ho-Ni +mp-13510,Ho4In(NiGe2)2,-5.42244378,-0.7739252355,0.0,-0.0168080773,GGA,C2/m,A4B4CD2_mC22_12_2i_2i_a_i:Ge-Ho-In-Ni,11.0,A4B4CD2_mC22_12_2i_2i_a_i:Ge-Ho-In-Ni +mp-1223980,HoNiGe,-5.7146905333,-0.7194993983,0.08476592,-0.0126043186,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ho-Ni,6.0,ABC_mC12_12_i_i_i:Ge-Ho-Ni +mp-542171,HoNiGe,-5.7994564533,-0.8042653183,0.0,-0.0973702386,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ho-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Ho-Ni +mp-1079921,HoNiGe3,-5.410823922,-0.564498099,0.0,-0.018117168,GGA,Cmmm,A3BC_oC20_65_2gh_h_g:Ge-Ho-Ni,10.0,A3BC_oC20_65_2gh_h_g:Ge-Ho-Ni +mp-1196011,HoNi5Ge3,-5.7921534411,-0.5308005706,0.0,-0.0215072856,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:Ge-Ho-Ni,36.0,A3BC5_oP36_62_3c_c_5c:Ge-Ho-Ni +mp-12987,Ho2NiGe6,-5.2421967089,-0.4996276478,0.0197965213,0.0197965213,GGA,Amm2,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Ni,9.0,A6B2C_oC18_38_2a4b_2a_b:Ge-Ho-Ni +mp-1068024,Ho2InNi2,-5.231800636,-0.53644567,0.0,-0.0415601297,GGA,Cmmm,A2BC2_oC10_65_h_a_g:Ho-In-Ni,5.0,A2BC2_oC10_65_h_a_g:Ho-In-Ni +mp-1078878,Ho2InNi2,-5.215458724,-0.5201037580000001,0.016341912,-0.0252182177,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-In-Ni,10.0,A2BC2_tP10_127_h_a_g:Ho-In-Ni +mp-1224312,Ho4(NiGe4)3,-5.3319387163,-0.5347608332,0.0083864569,0.0083864569,GGA,Pmm2,A12B4C3_oP19_25_2a2b4c4d_2a2b_2cd:Ge-Ho-Ni,19.0,A12B4C3_oP19_25_2a2b4c4d_2a2b_2cd:Ge-Ho-Ni +mp-31426,HoInNi,-4.8735269678,-0.5021172078,0.0,-0.0163084299,GGA,P-62m,ABC_hP9_189_f_g_ad:Ho-In-Ni,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ho-In-Ni, expected Ho3In3Ni5 to be HoInNi" +mp-974399,HoNiGe2,-5.5851264788,-0.6829761638,0.0,-0.0152848223,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ho-Ni,8.0,"Invalid WP multiplicities - A2BC_oC16_63_3c_c_c:Ge-Ho-Ni, expected HoNiGe3 to be HoNiGe2" +mp-1190282,Ho3NiGe2,-5.5896509038,-0.7940810704,0.0,-0.0152645756,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ge-Ho-Ni,24.0,A2B3C_oP24_62_2c_3c_c:Ge-Ho-Ni +mp-30729,Ho10In20Ni9,-4.3454215551,-0.4254473649,0.0,-0.0016255876,GGA,P4/nmm,A10B20C9_tP78_129_2cij_gh2ij_aij:Ho-In-Ni,78.0,A10B20C9_tP78_129_2cij_gh2ij_aij:Ho-In-Ni +mp-1100988,TlSbSe2,-3.687526205,-0.3166593695,0.2499178994,0.2373373629,GGA,Pm,AB2C_mP4_6_a_ab_b:Sb-Se-Tl,4.0,AB2C_mP4_6_a_ab_b:Sb-Se-Tl +mp-567318,TlSbSe2,-3.9374441044,-0.5665772689,0.0,-0.0125805365,GGA,P2_1/m,AB2C_mP16_11_2e_4e_2e:Sb-Se-Tl,16.0,AB2C_mP16_11_2e_4e_2e:Sb-Se-Tl +mp-37710,TlSbSe2,-3.65872893,-0.2878620945,0.2787151744,0.2661346379,GGA,Pmm2,AB2C_oP4_25_a_bd_c:Sb-Se-Tl,4.0,AB2C_oP4_25_a_bd_c:Sb-Se-Tl +mp-1216592,TlSbSe2,-3.9025510775,-0.5316842420000001,0.0348930269,0.0223124904,GGA,Amm2,AB2C_oC8_38_a_ab_b:Sb-Se-Tl,4.0,AB2C_oC8_38_a_ab_b:Sb-Se-Tl +mp-19846,TlSbSe2,-3.2870489925,0.083817843,0.6503951119,0.6378145754,GGA,Cmmm,AB2C_oC8_65_c_g_a:Sb-Se-Tl,4.0,AB2C_oC8_65_c_g_a:Sb-Se-Tl +mp-20331,CuSbSe2,-4.2437964663,-0.4387887499,0.0,-0.0014544591,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Sb-Se,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_5c:Cu-Sb-Se, expected CuSbSe5 to be CuSbSe2" +mp-9814,Cu3SbSe4,-4.2189947775,-0.4177113824,0.0,-0.0139712669,GGA,I-42m,A3BC4_tI16_121_ad_b_i:Cu-Sb-Se,8.0,"Invalid WP multiplicities - A3BC4_tI16_121_a2d_b_i:Cu-Sb-Se, expected Cu5SbSe4 to be Cu3SbSe4" +mp-1225801,Cu3SbSe4,-4.1093590912,-0.3080756962,0.1096356862,0.0956644194,GGA,R3m,A3BC4_hR24_160_3a_a_4a:Cu-Sb-Se,8.0,A3BC4_hR24_160_3a_a_4a:Cu-Sb-Se +mp-541923,TlCu5Se3,-4.0060018292,-0.3008450592,0.0322754656,0.0322754656,GGA,P4_2/mnm,A5B3C_tP36_136_g2i_fi_f:Cu-Se-Tl,36.0,A5B3C_tP36_136_g2i_fi_f:Cu-Se-Tl +mp-1208094,TlCu4Se3,-4.0090332884,-0.353132756,0.0216278344,0.0216278344,GGA,Pnnm,A4B3C_oP32_58_4g_3g_g:Cu-Se-Tl,32.0,A4B3C_oP32_58_4g_3g_g:Cu-Se-Tl +mp-1025447,TlCu4Se3,-4.0013868688,-0.3454863363,0.0292742541,0.0292742541,GGA,P4/mmm,A4B3C_tP8_123_i_ah_b:Cu-Se-Tl,8.0,A4B3C_tP8_123_i_ah_b:Cu-Se-Tl +mp-28656,Tl5(Cu7Se5)2,-3.9511006969,-0.3593343559,0.0187962576,0.0187962576,GGA,C2/m,A14B10C5_mC58_12_7i_5i_a2i:Cu-Se-Tl,29.0,"Invalid WP multiplicities - A14B10C5_mC58_12_8i_7i_a2i:Cu-Se-Tl, expected Tl5(Cu8Se7)2 to be Tl5(Cu7Se5)2" +mp-1100994,TlCu7Se4,-4.0357419792,-0.2823473336,0.0345703238,0.0345703238,GGA,P1,A7B4C_aP12_1_7a_4a_a:Cu-Se-Tl,12.0,A7B4C_aP12_1_7a_4a_a:Cu-Se-Tl +mp-1216750,TlCu7Se4,-4.0354809625,-0.2820863169,0.0348313404,0.0348313404,GGA,Cm,A7B4C_mC24_8_7a_4a_a:Cu-Se-Tl,12.0,A7B4C_mC24_8_7a_4a_a:Cu-Se-Tl +mp-8800,TlCu3Se2,-3.954299985,-0.3456189663,0.0199072933,0.0199072933,GGA,C2/m,A3B2C_mC24_12_3i_2i_i:Cu-Se-Tl,12.0,A3B2C_mC24_12_3i_2i_i:Cu-Se-Tl +mp-1207168,Tl2CuSe2,-2.962753458,0.2005097257,0.6760935596000001,0.6760935596000001,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Cu-Se-Tl,5.0,AB2C2_tP5_123_a_g_g:Cu-Se-Tl +mp-1207073,Tl2CuSe2,-3.480443556,-0.3171803723,0.1584034616,0.1584034616,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Cu-Se-Tl,5.0,AB2C2_tI10_139_a_e_d:Cu-Se-Tl +mp-29476,Cu3SbSe3,-4.1760783675,-0.3311704128,0.0345556107,0.0345556107,GGA,Pnma,A3BC3_oP28_62_cd_c_cd:Cu-Sb-Se,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_cd_c_c2d:Cu-Sb-Se, expected Cu3SbSe5 to be Cu3SbSe3" +mp-4876,Tl3SbSe3,-3.6655541057,-0.564887661,0.0,-0.0184510831,GGA,P2_13,AB3C3_cP28_198_a_b_3a:Sb-Se-Tl,28.0,AB3C3_cP28_198_a_b_3a:Sb-Se-Tl +mp-5000,Tl(CuSe)2,-3.9492074,-0.4386315116,0.0,-0.0396677171,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Se-Tl,5.0,A2B2C_tI10_139_d_e_a:Cu-Se-Tl +mp-14090,TlCuSe2,-3.834210345,-0.470792152,0.0,-0.0177493532,GGA,I-42d,AB2C_tI16_122_a_d_b:Cu-Se-Tl,8.0,AB2C_tI16_122_a_d_b:Cu-Se-Tl +mp-676274,Tl9SbSe6,-3.4293472113,-0.5313310596,0.0,-0.0238827733,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Sb-Se-Tl,16.0,"Invalid WP multiplicities - AB6C9_tI32_87_a_2e2h_b2i:Sb-Se-Tl, expected Tl17SbSe12 to be Tl9SbSe6" +mp-1179714,RbMnCu3Se4,-4.5743553467,-0.5272647594000001,0.0720695392,0.0720695392,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Mn-Rb-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Mn-Rb-Se +mp-29744,RbMnSe2,-5.197288045,-0.913694965,0.0242563016,0.0242563016,GGA,I-4m2,ABC2_tI8_119_c_a_e:Mn-Rb-Se,4.0,ABC2_tI8_119_c_a_e:Mn-Rb-Se +mp-1078762,RbCu4Se3,-4.0171979237,-0.5340610256,0.0004093374,0.0004093374,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-Rb-Se,8.0,A4BC3_tP8_123_i_a_bh:Cu-Rb-Se +mp-8717,Rb2MnSe2,-4.737732516,-1.1147512375,0.0,-0.0790504223,GGA,Ibam,AB2C2_oI20_72_a_j_j:Mn-Rb-Se,10.0,AB2C2_oI20_72_a_j_j:Mn-Rb-Se +mp-1222020,Mn(CuSe)2,-5.2305114055,-0.360061088,0.038230847,0.038230847,GGA,F-43m,A2BC2_cF80_216_acf_e_2e:Cu-Mn-Se,20.0,A2BC2_cF80_216_acf_e_2e:Cu-Mn-Se +mp-1221692,MnCuSe4,-5.0573033125,-0.5164920004,0.0,-0.0107252762,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Cu-Mn-Se,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_d_4e:Cu-Mn-Se, expected MnCuSe8 to be MnCuSe4" +mp-4052,Rb2Mn3Se4,-5.7469493183,-0.9213093259,0.0,-0.0383291917,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Mn-Rb-Se,18.0,"Invalid WP multiplicities - A3B2C4_oI36_72_a2f_j_k:Mn-Rb-Se, expected Rb2Mn5Se4 to be Rb2Mn3Se4" +mp-616220,Rb3(Cu4Se3)2,-3.9532938018,-0.6173688345,0.0,-0.0349323481,GGA,C2/m,A8B3C6_mC34_12_4i_ai_3i:Cu-Rb-Se,17.0,"Invalid WP multiplicities - A8B3C6_mC34_12_8i_ai_4i:Cu-Rb-Se, expected Rb3(Cu2Se)8 to be Rb3(Cu4Se3)2" +mp-18365,RbCuSe4,-3.8998683312,-0.7226372224000001,0.0,-0.0274265262,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Cu-Rb-Se,24.0,ABC4_oP24_19_a_a_4a:Cu-Rb-Se +mp-21827,In9(CuSe4)4,-3.9131664929,-0.5650091173,0.1555221857,0.1555221857,GGA,P-43m,A4B9C16_cP58_215_2e_fh_2e2i:Cu-In-Se,58.0,"Invalid WP multiplicities - A4B9C16_cP58_215_2e_2fh_3e4i:Cu-In-Se, expected In6Cu2Se15 to be In9(CuSe4)4" +mp-1212167,In5CuSe8,-4.0367266421,-0.7635182749,0.0002554487,0.0002554487,GGA,P-42m,AB5C8_tP14_111_a_bm_2n:Cu-In-Se,14.0,AB5C8_tP14_111_a_bm_2n:Cu-In-Se +mp-675060,In8Cu7Se16,-4.0510651177,-0.6109844670000001,0.0632214161,0.0632214161,GGA,P1,A7B8C16_aP31_1_7a_8a_16a:Cu-In-Se,31.0,A7B8C16_aP31_1_7a_8a_16a:Cu-In-Se +mp-1223971,InCuSe2,-4.125938215,-0.6652598762,0.0033530438,-0.0416291331,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cu-In-Se,4.0,ABC2_tP4_115_a_c_g:Cu-In-Se +mp-22811,InCuSe2,-4.1292912588,-0.6686129199,0.0,-0.0449821769,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-In-Se,8.0,ABC2_tI16_122_a_b_d:Cu-In-Se +mp-676764,InCuSe2,-3.9245469013,-0.4638685624,0.2047443575,0.1597621806,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Cu-In-Se,8.0,ABC2_tI16_141_a_b_e:Cu-In-Se +mp-1226514,InCuSe2,-4.0689366225,-0.6082582837,0.0603546363,0.0153724594,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cu-In-Se,4.0,ABC2_hP4_156_a_b_ab:Cu-In-Se +mp-1078168,In2CuSe4,-4.0180347943,-0.6485747885,0.0448069684,0.0448069684,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cu-In-Se,7.0,AB2C4_tI14_82_a_bc_g:Cu-In-Se +mp-677803,In11Cu9Se20,-4.070990421,-0.6440001557,0.0323785631,0.0323785631,GGA,I-4,A9B11C20_tI80_82_a2g_bcd2g_5g:Cu-In-Se,40.0,"Invalid WP multiplicities - A9B11C20_tI80_82_a5g_bcd8g_17g:Cu-In-Se, expected In35Cu21Se68 to be In11Cu9Se20" +mp-1224175,In3CuSe5,-4.0569396667,-0.7420713057,0.0005555726,0.0005555726,GGA,P1,AB3C5_aP9_1_a_3a_5a:Cu-In-Se,9.0,AB3C5_aP9_1_a_3a_5a:Cu-In-Se +mp-1182175,BaInCu3Se4,-4.0506019689,-0.6114992366,0.2836288525,0.2836288525,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-In-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-In-Se +mp-1214759,Ba(InCu)2,-3.281950532,-0.157799384,0.131352942,0.131352942,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Cu-In,5.0,AB2C2_tI10_139_a_e_d:Ba-Cu-In +mp-21766,Ba(InSe2)2,-4.3622841225,-1.3042857924,0.0,-0.0425918541,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Ba-In-Se,56.0,AB2C4_oF224_70_abe_2h_4h:Ba-In-Se +mp-573635,Ba2In2Se5,-4.4972666265,-1.5171694345,0.0047776887,0.0047776887,GGA,Pbca,A2B2C5_oP72_61_2c_2c_5c:Ba-In-Se,72.0,"Invalid WP multiplicities - A2B2C5_oP72_61_8c_12c_35c:Ba-In-Se, expected Ba8In12Se35 to be Ba2In2Se5" +mp-505244,FeCuSe2,-5.2599463638,-0.3696836549,0.132604065,0.132604065,GGA,P-42m,ABC2_tP8_111_ac_e_n:Cu-Fe-Se,8.0,ABC2_tP8_111_ac_e_n:Cu-Fe-Se +mp-705147,Fe2GeSe4,-5.4810396604000005,-0.4029373481,0.1731035007,0.1731035007,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Fe-Ge-Se,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_2a2c_c_4c4d:Fe-Ge-Se, expected Fe4GeSe12 to be Fe2GeSe4" +mp-1087471,FeCu2GeSe4,-4.868252145,-0.4588636055,0.0368129142,0.0368129142,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-Ge-Se,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-Ge-Se +mp-21141,Fe2CuGe2,-6.13680637,-0.07974541,0.0179710147,0.0179710147,GGA,Pmma,AB2C2_oP10_51_b_ce_ef:Cu-Fe-Ge,10.0,AB2C2_oP10_51_b_ce_ef:Cu-Fe-Ge +mp-1257684,Al2(CuSe2)3,-4.3618805605,-0.6560405117,0.0790387123,0.0790387123,GGA,I-42d,A2B3C6_tI44_122_c_ac_de:Al-Cu-Se,22.0,"Invalid WP multiplicities - A2B3C6_tI44_122_c_2ac_4d5e:Al-Cu-Se, expected Al(CuSe7)2 to be Al2(CuSe2)3" +mp-1228611,Al2PbSe4,-4.6559298614,-1.0577234842,0.0029358314,-0.0277328893,GGA,Pm,A2BC4_mP14_6_2a2b_c_2a2b2c:Al-Pb-Se,14.0,"Invalid WP multiplicities - A2BC4_mP14_6_2a2b_c_2a2b4c:Al-Pb-Se, expected Al2PbSe6 to be Al2PbSe4" +mp-675374,Al2PbSe4,-4.6588656929,-1.0606593156,0.0,-0.0306687207,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Pb-Se,14.0,"Invalid WP multiplicities - A2BC4_oC28_66_l_a_4k3l:Al-Pb-Se, expected Al2PbSe14 to be Al2PbSe4" +mp-1248857,Al14(CuSe8)3,-4.58833583,-0.9630295594,0.0561360098,0.0561360098,GGA,Cm,A14B3C24_mC82_8_8a3b_3a_12a6b:Al-Cu-Se,41.0,"Invalid WP multiplicities - A14B3C24_mC82_8_8a6b_3a_12a12b:Al-Cu-Se, expected Al20(CuSe12)3 to be Al14(CuSe8)3" +mp-1182890,AlCu3PbSe4,-4.2425107956,-0.4936787044,0.1556854853,0.1556854853,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Pb-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Pb-Se +mp-37405,Al5CuSe8,-4.6567229843,-1.0285531528,0.0199736196,0.0199736196,GGA,F-43m,A5BC8_cF56_216_ae_c_2e:Al-Cu-Se,14.0,A5BC8_cF56_216_ae_c_2e:Al-Cu-Se +mp-1346055,Al(CuSe2)3,-4.0835214955,-0.3816550249,0.201698511,0.201698511,GGA,I-42d,AB3C6_tI40_122_a_bc_de:Al-Cu-Se,20.0,"Invalid WP multiplicities - AB3C6_tI40_122_a_2b3c_4d4e:Al-Cu-Se, expected Al(CuSe3)8 to be Al(CuSe2)3" +mp-8016,AlCuSe2,-4.5706686612,-0.8615172974,0.0,-0.0588198003,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Cu-Se,8.0,ABC2_tI16_122_a_b_d:Al-Cu-Se +mp-1067556,AlCuSe2,-3.7904661025,-0.0813147387,0.7802025588,0.7213827584,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-Se,4.0,ABC2_cF16_225_a_b_c:Al-Cu-Se +mp-1264143,Al13(CuSe8)3,-4.5228747558,-0.9005752242,0.0877610816,0.0877610816,GGA,Cm,A13B3C24_mC80_8_7a3b_3a_12a6b:Al-Cu-Se,40.0,"Invalid WP multiplicities - A13B3C24_mC80_8_7a6b_3a_12a12b:Al-Cu-Se, expected Al19(CuSe12)3 to be Al13(CuSe8)3" +mp-22607,Zn(InSe2)2,-3.8271310271,-0.8633086013,0.0,-0.0186925602,GGA,I-4,A2B4C_tI14_82_ac_g_b:In-Se-Zn,7.0,A2B4C_tI14_82_ac_g_b:In-Se-Zn +mp-34169,Zn(InSe2)2,-3.8261835014,-0.8623610756000001,0.0009475257,-0.0177450345,GGA,I-42m,A2B4C_tI14_121_d_i_a:In-Se-Zn,7.0,A2B4C_tI14_121_d_i_a:In-Se-Zn +mp-1001017,Zn(InSe2)2,-3.7679042143,-0.8040817885,0.0592268129,0.0405342526,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:In-Se-Zn,14.0,A2B4C_cF56_227_c_e_b:In-Se-Zn +mp-1216140,Zn(InSe2)3,-3.723100066,-0.6740736994000001,0.1307018328,0.1307018328,GGA,R3m,A3B6C_hR30_160_3a_6a_a:In-Se-Zn,10.0,A3B6C_hR30_160_3a_6a_a:In-Se-Zn +mp-1215816,Zn2InCuSe4,-3.7229906875,-0.8037377462,0.0063492294,0.0063492294,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Cu-In-Se-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Cu-In-Se-Zn +mp-1178645,ZnInCu3Se4,-3.7350043311,-0.3691495244,0.2289061319,0.2289061319,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-In-Se-Zn,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-In-Se-Zn +mp-28278,Na2GeSe3,-3.9528972787,-0.9935951329,0.0,-0.0034434667,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Ge-Na-Se,24.0,AB2C3_mP24_14_e_2e_3e:Ge-Na-Se +mp-17964,Na2Ge2Se5,-4.1308841083,-0.8674770322,0.0,-0.0119728051,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Ge-Na-Se,36.0,A2B2C5_oP36_33_2a_2a_5a:Ge-Na-Se +mp-18619,Na2Ge2Se5,-4.1234981756,-0.8600910994000001,0.0073859328,-0.0045868724,GGA,Cmcm,A2B2C5_oC72_63_fg_eg_2cfgh:Ge-Na-Se,36.0,A2B2C5_oC72_63_fg_eg_2cfgh:Ge-Na-Se +mp-18411,Na3GeSe3,-3.7942905479,-1.0688136667,0.0,-0.0048063171,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ge-Na-Se,28.0,AB3C3_mP28_14_e_3e_3e:Ge-Na-Se +mp-18100,Na6Ge2Se7,-3.8405956343,-1.0637564467,0.0,-0.0089438231,GGA,C2/c,A2B6C7_mC60_15_f_ae2f_e3f:Ge-Na-Se,30.0,A2B6C7_mC60_15_f_ce2f_e3f:Ge-Na-Se +mp-1179880,NaCu3GeSe4,-3.9862048844,-0.4054472101,0.1788883653,0.1788883653,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-Na-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-Na-Se +mp-7433,NaCuSe,-3.7216783017,-0.749130488,0.0,-0.0053524429,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cu-Na-Se,6.0,ABC_tP6_129_a_c_c:Cu-Na-Se +mp-28355,Na4Ge2Se5,-3.9321887327,-1.0216692534,0.0,-0.0254002762,GGA,P-1,A2B4C5_aP22_2_2i_be3i_5i:Ge-Na-Se,22.0,A2B4C5_aP22_2_2i_be3i_5i:Ge-Na-Se +mp-568762,Na4Ge2Se5,-3.9309928172,-1.0204733379,0.0011959156,-0.0242043607,GGA,P2_1/c,A2B4C5_mP88_14_4e_8e_10e:Ge-Na-Se,88.0,"Invalid WP multiplicities - A2B4C5_mP88_14_15e_31e_39e:Ge-Na-Se, expected Na31(Ge5Se13)3 to be Na4Ge2Se5" +mp-28292,Na4GeSe4,-3.7508214996,-1.0956242841,0.0,-0.0059527393,GGA,Pnma,AB4C4_oP72_62_2c_2c3d_4c2d:Ge-Na-Se,72.0,AB4C4_oP72_62_2c_2c3d_4c2d:Ge-Na-Se +mp-1220047,Pr2Si2PbSe8,-5.3364781796,-1.3293715287,0.0,-0.0167719964,GGA,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Pb-Pr-Se-Si,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_4a_14a_2a:Pb-Pr-Se-Si, expected Pr4Si2PbSe14 to be Pr2Si2PbSe8" +mp-27532,Si(PbSe2)2,-4.6259555136,-0.7924900735,0.0,-0.0091204293,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Pb-Se-Si,28.0,A2B4C_mP28_14_2e_4e_e:Pb-Se-Si +mp-676516,Pr2Pb17Se20,-4.6148526544,-0.9585695453,0.0140028764,0.0140028764,GGA,C2/m,A17B2C20_mC78_12_a8i_i_10i:Pb-Pr-Se,39.0,"Invalid WP multiplicities - A17B2C20_mC78_12_a16i_i_19i:Pb-Pr-Se, expected Pr2Pb33Se38 to be Pr2Pb17Se20" +mp-675146,Pr2PbSe4,-5.6496891579,-1.7556742306,0.0211575991,0.0211575991,GGA,I-42d,AB2C4_tI28_122_a_d_e:Pb-Pr-Se,14.0,AB2C4_tI28_122_a_d_e:Pb-Pr-Se +mp-1220106,Pr12Si5Se28,-5.7496090084,-1.6966538843,0.0045099547,0.0045099547,GGA,P1,A12B28C5_aP45_1_12a_28a_5a:Pr-Se-Si,45.0,A12B28C5_aP45_1_12a_28a_5a:Pr-Se-Si +mp-1173594,Pr12Si5Se28,-5.7338657581,-1.680910634,0.0202532051,0.0202532051,GGA,P3,A12B28C5_hP90_143_8d_4a4b16d_4a4b2c:Pr-Se-Si,90.0,"Invalid WP multiplicities - A12B28C5_hP90_143_24d_4a4b48d_4a4b2c:Pr-Se-Si, expected Pr36Si5Se76 to be Pr12Si5Se28" +mp-1224380,HoMnGa,-5.7664641672,-0.1756241057,0.2432775951,0.2432775951,GGA,Ima2,ABC_oI36_46_bc_3b_ac:Ga-Ho-Mn,18.0,"Invalid WP multiplicities - ABC_oC18_38_ae_a2d_be:Ga-Ho-Mn, expected Ho5(MnGa)3 to be HoMnGa" +mp-11860,HoMnGa,-5.7940892344,-0.2032491729,0.2156525279,0.2156525279,GGA,P-62m,ABC_hP9_189_f_g_bc:Ga-Ho-Mn,9.0,ABC_hP9_189_f_g_bc:Ga-Ho-Mn +mp-1212286,Ho4MnSi7,-5.9820916108,-0.5263518623,0.1021655082,0.1021655082,GGA,Amm2,A4BC7_oC24_38_2a2b_a_4a3b:Ho-Mn-Si,12.0,A4BC7_oC24_38_2a2b_a_4a3b:Ho-Mn-Si +mp-20380,HoMnSi,-6.8880489233,-0.4981348593,0.043238382,0.043238382,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Mn-Si,12.0,ABC_oP12_62_c_c_c:Ho-Mn-Si +mp-505335,Ho2Mn3Si5,-6.9710298932,-0.5932845166,0.0,-0.0159867835,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Ho-Mn-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Ho-Mn-Si +mp-5796,Ho(MnSi)2,-7.356679972,-0.6052648692,0.0,-0.0706500819,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Mn-Si +mp-1224003,Ho3Mn3Ga2Si,-6.2008003344,-0.3436022721,0.1161232756,0.1161232756,GGA,P-6,A2B3C3D_hP9_174_ad_k_j_e:Ga-Ho-Mn-Si,9.0,A2B3C3D_hP9_174_ad_k_j_e:Ga-Ho-Mn-Si +mp-567416,Ho3Mn3Ga2Si,-6.2053308422,-0.3481327799,0.1115927678,0.1115927678,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:Ga-Ho-Mn-Si,9.0,A2B3C3D_hP9_189_c_g_f_b:Ga-Ho-Mn-Si +mp-1224143,Ho(MnGa)6,-6.0830031692,-0.1043049571,0.1266714019,0.1266714019,GGA,Fmmm,A6BC6_oF52_69_dm_a_em:Ga-Ho-Mn,13.0,A6BC6_oF52_69_dm_a_em:Ga-Ho-Mn +mp-17791,Cd4SiSe6,-3.5539439686,-0.8182761563000001,0.0128080814,0.0128080814,GGA,Cc,A4B6C_mC44_9_4a_6a_a:Cd-Se-Si,22.0,A4B6C_mC44_9_4a_6a_a:Cd-Se-Si +mp-1189879,CdCu2SiSe4,-4.1807218494,-0.6144384693,0.0,-0.0079873956,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cd-Cu-Se-Si,16.0,AB2C4D_oP16_31_a_b_2ab_a:Cd-Cu-Se-Si +mp-1096867,Cd(CuSe)2,-3.733541968,-0.5109167569,0.0,-0.0076862335,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cd-Cu-Se,5.0,AB2C2_hP5_164_a_d_d:Cd-Cu-Se +mp-1226256,CrFeSi2,-7.59035787,-0.346931685,0.0531110664,0.0531110664,GGA,P2_1,ABC2_mP8_4_a_a_2a:Cr-Fe-Si,8.0,ABC2_mP8_4_a_a_2a:Cr-Fe-Si +mp-1225714,Fe5SiAs,-7.6450604698,-0.1544115433,0.0774017724,0.0774017724,GGA,Cm,AB5C_mC84_8_4ab_10a10b_3b:As-Fe-Si,42.0,AB5C_mC84_8_4ab_10a10b_3b:As-Fe-Si +mp-1018068,CrFe2Si,-8.242664,-0.23806202,0.0722849004,0.0722849004,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Fe-Si,4.0,AB2C_cF16_225_a_c_b:Cr-Fe-Si +mp-1226329,Cr3Fe3SiAs2,-7.8537121089,-0.1745164556,0.059311405,0.059311405,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Si,9.0,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Si +mp-1226343,CrFe11Si4,-8.0641635612,-0.281379005,0.0242592276,0.0242592276,GGA,R-3m,AB11C4_hR48_166_a_b5c_2c:Cr-Fe-Si,16.0,"Invalid WP multiplicities - AB11C4_hR48_166_a_b10c_2c:Cr-Fe-Si, expected CrFe21Si4 to be CrFe11Si4" +mp-1221761,Mn3Fe3Si2,-8.2235762675,-0.2552330717,0.0627277669,0.0627277669,GGA,R3m,A3B3C2_hR24_160_3a_3a_2a:Fe-Mn-Si,8.0,A3B3C2_hR24_160_3a_3a_2a:Fe-Mn-Si +mp-5529,MnFe2Si,-8.201033355,-0.3191894195,0.0,-0.0117186075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Mn-Si,4.0,A2BC_cF16_225_c_a_b:Fe-Mn-Si +mp-1095512,NdFeSi,-6.4991570233,-0.2779947992,0.271102175,0.2202025638,GGA,Cmcm,ABC_oC12_63_c_c_a:Fe-Nd-Si,12.0,ABC_oC12_63_c_c_a:Fe-Nd-Si +mp-20690,NdFeSi,-6.7702591983,-0.5490969742,0.0,-0.0508996112,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Nd-Si,6.0,ABC_tP6_129_a_c_c:Fe-Nd-Si +mp-1221713,MnFe4Si3,-7.76667669,-0.3519199122,0.0456644806,0.0456644806,GGA,Amm2,A4BC3_oC32_38_abdf_e_abde:Fe-Mn-Si,16.0,A4BC3_oC32_38_abdf_e_abde:Fe-Mn-Si +mp-1220437,Nd2MnFe3Si4,-7.157293585,-0.5763289943000001,0.006525261,0.006525261,GGA,P-4m2,A3BC2D4_tP10_115_abc_d_g_2g:Fe-Mn-Nd-Si,10.0,"Invalid WP multiplicities - A3BC2D4_tP10_115_abc_d_g_4g:Fe-Mn-Nd-Si, expected Nd2MnFe3Si8 to be Nd2MnFe3Si4" +mp-1221641,MnFe3Si8,-6.8169321342,-0.3190468707,0.0665218142,0.0665218142,GGA,P4/mmm,A3BC8_tP12_123_ag_b_4h:Fe-Mn-Si,12.0,"Invalid WP multiplicities - A3BC8_tP12_123_a2g_b_7h:Fe-Mn-Si, expected MnFe5Si14 to be MnFe3Si8" +mp-1221619,MnFeSi2,-7.564620795,-0.4439526545,0.0111894187,0.0111894187,GGA,P2_1,ABC2_mP8_4_a_a_2a:Fe-Mn-Si,8.0,ABC2_mP8_4_a_a_2a:Fe-Mn-Si +mp-1220287,Nd2Mn3FeSi4,-7.275307866,-0.5559444589,0.001983264,0.001983264,GGA,P-4m2,AB3C2D4_tP10_115_a_bcd_g_2g:Fe-Mn-Nd-Si,10.0,"Invalid WP multiplicities - AB3C2D4_tP10_115_a_bcd_g_4g:Fe-Mn-Nd-Si, expected Nd2Mn3FeSi8 to be Nd2Mn3FeSi4" +mp-9527,NdMnSi2,-6.7765925438,-0.5813928476,0.0,-0.0008695244,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Mn-Nd-Si,8.0,ABC2_oC16_63_c_c_2c:Mn-Nd-Si +mp-1220585,Nd(MnFe5)2,-8.2296895208,0.0620327959,0.0620327959,0.0620327959,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mn-Nd,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mn-Nd +mp-1220603,Nd4Fe29Si5,-7.7338865687,-0.0541551221,0.1542254141,0.1542254141,GGA,P-1,A29B4C5_aP38_2_abe13i_2i_h2i:Fe-Nd-Si,38.0,"Invalid WP multiplicities - A29B4C5_aP38_2_abe25i_3i_h3i:Fe-Nd-Si, expected Nd6Fe53Si7 to be Nd4Fe29Si5" +mp-1220440,Nd2FeSi3,-6.16804828,-0.4543365858,0.199744775,0.199744775,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Fe-Nd-Si,6.0,AB2C3_hP6_187_a_i_bcd:Fe-Nd-Si +mp-22256,NdMnSi,-6.93111564,-0.4792887218,0.0052058557,0.0052058557,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Nd-Si,6.0,ABC_tP6_129_a_c_c:Mn-Nd-Si +mp-1220563,Nd2Fe14Si3,-7.6855779958,-0.0859703171,0.1573917108,0.1573917108,GGA,C2/m,A14B2C3_mC38_12_egi2j_i_ci:Fe-Nd-Si,19.0,"Invalid WP multiplicities - A14B2C3_mC38_12_e2h2i3j_i_ai:Fe-Nd-Si, expected Nd2Fe22Si3 to be Nd2Fe14Si3" +mp-3018,Nd(MnSi)2,-7.334027272,-0.5454644567,0.0,-0.041848906,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Mn-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Mn-Nd-Si +mp-1221606,MnFeSi4,-6.8603705567,-0.3048191197,0.0706831567,0.0706831567,GGA,P4/mmm,ABC4_tP6_123_a_b_2h:Fe-Mn-Si,6.0,"Invalid WP multiplicities - ABC4_tP6_123_a_b_3h:Fe-Mn-Si, expected MnFeSi6 to be MnFeSi4" +mp-5932,Nd6Fe13Si,-7.2699380828,-0.062714165,0.0196503811,0.0196503811,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Si,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Si +mp-1205374,Nd2Fe15Si2,-7.7848311789,-0.0249759645,0.14842308,0.14842308,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Nd-Si,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Nd-Si +mp-1207295,Nd2MnSi2,-5.004148848,0.9056403954,1.4870338884,1.4870338884,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Nd-Si,5.0,AB2C2_tP5_123_a_g_g:Mn-Nd-Si +mp-1220494,Nd(Fe5Si)2,-7.9134326192,-0.1965868044,0.0323814731,0.0323814731,GGA,Immm,A10BC2_oI26_71_efgk_a_h:Fe-Nd-Si,13.0,A10BC2_oI26_71_efgk_a_h:Fe-Nd-Si +mp-1221382,Mn5Fe5Si6,-7.8604301775,-0.3159245094,0.0798170122,0.0798170122,GGA,Amm2,A5B5C6_oC32_38_ade_bf_abde:Fe-Mn-Si,16.0,A5B5C6_oC32_38_ade_bf_abde:Fe-Mn-Si +mp-1221407,Mn5Fe5Si6,-7.8934689337,-0.3489632656,0.0467782559,0.0467782559,GGA,Amm2,A5B5C6_oC32_38_af_bde_abde:Fe-Mn-Si,16.0,A5B5C6_oC32_38_af_bde_abde:Fe-Mn-Si +mp-3489,Nd(FeSi)2,-7.107082704,-0.5953175215000001,0.0,-0.0749458903,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Nd-Si +mp-4196,NdFeSi2,-6.6399522838,-0.6177511081,0.0,-0.0163904919,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Fe-Nd-Si,8.0,ABC2_oC16_63_c_c_2c:Fe-Nd-Si +mp-1224530,In3Cu3SiSe8,-4.270584668,-0.6742325979,0.013792725,0.013792725,GGA,P-4,A3B3C8D_tP15_81_ag_cg_2h_b:Cu-In-Se-Si,15.0,"Invalid WP multiplicities - A3B3C8D_tP15_81_ag_cg_7h_b:Cu-In-Se-Si, expected In3Cu3SiSe28 to be In3Cu3SiSe8" +mp-20107,MnCuAs,-5.9622313758,0.0112154132,0.1915971575,0.1915971575,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cu-Mn,12.0,ABC_oP12_62_c_c_c:As-Cu-Mn +mp-1018800,MnCuAs,-5.9856972283,-0.0122504393,0.168131305,0.168131305,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Cu-Mn,6.0,ABC_tP6_129_c_a_c:As-Cu-Mn +mp-1190198,Mn3CuAs2,-6.8869374483,-0.0696892223,0.110692522,0.110692522,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:As-Cu-Mn,24.0,A2BC3_oP24_62_2c_c_3c:As-Cu-Mn +mp-1095424,Pr4Mn2As5,-6.5847944436,-1.0626812046,0.0709860311,0.0709860311,GGA,P-3m1,A5B2C4_hP11_164_a2d_d_cd:As-Mn-Pr,11.0,A5B2C4_hP11_164_a2d_d_cd:As-Mn-Pr +mp-1206109,Pr2CuAs3,-2.2907640967000003,2.3156314692,3.3097309992,3.3097309992,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Cu-Pr,6.0,A3BC2_tP6_123_ag_b_g:As-Cu-Pr +mp-1219826,PrMnCu10,-4.6104639054,-0.0325482598,0.0415652273,0.0415652273,GGA,Cmmm,A10BC_oC48_65_abhno2p_j_f:Cu-Mn-Pr,24.0,"Invalid WP multiplicities - A10BC_oC48_65_abh2n2o3p_j_f:Cu-Mn-Pr, expected PrMnCu16 to be PrMnCu10" +mp-1191920,Pr2Mn3Cu9As7,-5.3795056519,-0.3054796399,0.055855259,0.055855259,GGA,P-6,A7B9C3D2_hP21_174_ajk_2jk_k_cf:As-Cu-Mn-Pr,21.0,A7B9C3D2_hP21_174_ajk_2jk_k_cf:As-Cu-Mn-Pr +mp-4367,Cu2NiSn,-4.455431785,0.0415986838,0.161916671,0.161916671,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ni-Sn,4.0,A2BC_cF16_225_c_a_b:Cu-Ni-Sn +mp-1226408,Cr3NiSn8,-5.4766312483,0.0913565792,0.1346749358,0.1346749358,GGA,C222,A3BC8_oC24_21_abc_d_2kl:Cr-Ni-Sn,12.0,"Invalid WP multiplicities - A3BC8_oC24_21_abc_d_3kl:Cr-Ni-Sn, expected Cr3NiSn10 to be Cr3NiSn8" +mp-1226062,Cr5NiSn12,-5.5698742811,0.1056944017,0.1345733061,0.1345733061,GGA,C222,A5BC12_oC36_21_ajk_b_fi2kl:Cr-Ni-Sn,18.0,"Invalid WP multiplicities - A5BC12_oC36_21_ajk_b_2f2i4k2l:Cr-Ni-Sn, expected Cr5NiSn24 to be Cr5NiSn12" +mp-1226279,CrCu4NiSn2,-4.84849686,0.1326474575,0.2015102104,0.2015102104,GGA,R-3m,AB4CD2_hR24_166_a_2c_b_c:Cr-Cu-Ni-Sn,8.0,"Invalid WP multiplicities - AB4CD2_hR24_166_a_4c_b_c:Cr-Cu-Ni-Sn, expected CrCu8NiSn2 to be CrCu4NiSn2" +mp-30592,CuNi2Sn,-5.0530582525,-0.1357952812,0.034614091,0.034614091,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Cu-Ni-Sn +mp-1113386,Rb2ScHgBr6,-3.567754493,-1.7762157335,0.105949284,0.105949284,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Sc +mp-1206320,RbScCl3,-4.874307268,-2.3025846365,0.0,-0.0074557423,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Rb-Sc,10.0,A3BC_hP10_194_h_c_a:Cl-Rb-Sc +mp-29449,Rb4Cu5Cl9,-3.6997053061,-1.4188719961,0.0,-0.0135216134,GGA,Pc,A9B5C4_mP72_7_18a_10a_8a:Cl-Cu-Rb,72.0,A9B5C4_mP72_7_18a_10a_8a:Cl-Cu-Rb +mp-1201389,Rb4Cu5Cl9,-3.6828782754,-1.4020449654,0.0168270307,0.0033054173,GGA,Pc,A9B5C4_mP72_7_18a_10a_8a:Cl-Cu-Rb,72.0,A9B5C4_mP72_7_18a_10a_8a:Cl-Cu-Rb +mp-23508,Rb2CuCl4,-3.6167821579,-1.69472195,0.0073704739,0.0073704739,GGA,Cmce,A4BC2_oC28_64_df_a_d:Cl-Cu-Rb,14.0,"Invalid WP multiplicities - A4BC2_oC28_64_2d2f_a_d:Cl-Cu-Rb, expected Rb2CuCl8 to be Rb2CuCl4" +mp-974690,Rb2CuCl4,-3.6035539343,-1.6814937264,0.0205986975,0.0205986975,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Cu-Rb,7.0,A4BC2_tI14_139_ce_a_e:Cl-Cu-Rb +mp-27804,Rb3Cu2Cl7,-3.6182767571,-1.6116290756,0.0,-0.0002208504,GGA,Ccce,A7B2C3_oC48_68_aei_e_be:Cl-Cu-Rb,24.0,"Invalid WP multiplicities - A7B2C3_oC48_68_a2ei_e_be:Cl-Cu-Rb, expected Rb3Cu2Cl9 to be Rb3Cu2Cl7" +mp-640053,Rb2CuCl3,-3.6757418008,-1.7414276683,0.0078445348,0.0078445348,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Cl-Cu-Rb,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_9c_c_4c:Cl-Cu-Rb, expected Rb4CuCl9 to be Rb2CuCl3" +mp-571305,RbCuCl3,-3.5878744475,-1.462804303,0.0219110645,0.0098609228,GGA,C2,A3BC_mC40_5_6c_abc_2c:Cl-Cu-Rb,20.0,"Invalid WP multiplicities - A3BC_mC40_15_8f_2c2e_f:Cl-Cu-Rb, expected Rb(CuCl4)2 to be RbCuCl3" +mp-568857,RbCuCl3,-3.587514784,-1.4624446395,0.022270728,0.0102205863,GGA,C2/c,A3BC_mC40_15_3f_ae_f:Cl-Cu-Rb,20.0,"Invalid WP multiplicities - A3BC_mC40_15_8f_c2e_f:Cl-Cu-Rb, expected Rb2Cu3Cl16 to be RbCuCl3" +mp-23055,RbCuCl3,-3.590033083,-1.4649629385,0.019752429,0.0077022873,GGA,Pbcn,A3BC_oP20_60_cd_a_c:Cl-Cu-Rb,20.0,A3BC_oP20_60_cd_a_c:Cl-Cu-Rb +mp-1232302,RbCuCl3,-3.609785512,-1.4847153675,0.0,-0.0120501417,GGA,I4/mcm,A3BC_tI20_140_bh_d_a:Cl-Cu-Rb,10.0,A3BC_tI20_140_bh_d_a:Cl-Cu-Rb +mp-569526,RbCuCl3,-3.559780761,-1.4347106165,0.050004751,0.0379546093,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Cu-Rb,10.0,A3BC_hP10_194_h_a_c:Cl-Cu-Rb +mp-1113560,Rb2ScCuCl6,-4.42780045,-2.079404062,0.0064908117,0.0064908117,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sc +mp-1110692,Rb3ScCl6,-4.427126328,-2.3905971998,0.0,-0.0122368995,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sc,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sc +mp-21306,TiCoSi,-7.5991777533,-0.7894684728,0.0,-0.0938070223,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Ti,12.0,ABC_oP12_62_c_c_c:Co-Si-Ti +mp-15657,TiCoSi,-7.5731032356,-0.7633939550000001,0.0260745178,-0.0677325045,GGA,P-62m,ABC_hP9_189_f_bc_g:Co-Si-Ti,9.0,ABC_hP9_189_f_bc_g:Co-Si-Ti +mp-1094030,Ti2FeSi,-7.76958877,-0.3480079517,0.2976170522,0.2976170522,GGA,F-43m,ABC2_cF16_216_a_c_bd:Fe-Si-Ti,4.0,ABC2_cF16_216_a_c_bd:Fe-Si-Ti +mp-999060,Ti2CoSi,-7.4275945525,-0.3464395879,0.3079195232,0.3079195232,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-Si-Ti,4.0,ABC2_cF16_216_a_c_bd:Co-Si-Ti +mp-1097165,TiFeCo2,-4.754085575,2.8914516292,3.1449641531,3.1449641531,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Fe-Ti,4.0,A2BC_oI8_71_e_a_b:Co-Fe-Ti +mp-998971,TiFeCoSi,-7.8626903025,-0.6379030396,0.0291899587,0.0291899587,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Si-Ti,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Si-Ti +mp-1217162,Ti2Co3Si,-7.6828709983,-0.5926617569,0.0,-0.01960248,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Si-Ti,12.0,A3BC2_hP12_194_h_a_f:Co-Si-Ti +mp-1207117,Fe2CoSi,-7.7248422275,-0.3564226662,0.0,-0.0141888567,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Fe-Si,4.0,AB2C_cF16_216_a_bc_d:Co-Fe-Si +mp-1207085,Fe2CoSi,-7.571191345,-0.2027717837,0.1536508825,0.1394620258,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Fe-Si,4.0,AB2C_cF16_225_a_c_b:Co-Fe-Si +mp-1217397,TiCo2Si,-7.1605374575,-0.2761760483,0.383152835,0.3633071191,GGA,Cm,A2BC_mC16_8_2ab_2a_2a:Co-Si-Ti,8.0,A2BC_mC16_8_2ab_2a_2a:Co-Si-Ti +mp-3657,TiCo2Si,-7.5436902925,-0.6593288833000001,0.0,-0.0198457159,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Si-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Si-Ti +mp-866141,TiFe2Si,-8.24007023,-0.6748571133,0.0,-0.2181679892,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Si-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Si-Ti +mp-1102660,FeCoSi,-7.3586120133,-0.3573930017,0.0736869821,0.0736869821,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Fe-Si,12.0,ABC_oP12_62_c_c_c:Co-Fe-Si +mp-672677,Ti6Co16Si7,-7.4675632966,-0.6026231921,0.0,-0.0121197032,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Si-Ti,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_10f_a2d_e:Co-Si-Ti, expected Ti6Co80Si13 to be Ti6Co16Si7" +mp-5436,FeCo2Si,-7.3728514525,-0.344857745,0.0068793903,0.0068793903,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Fe-Si,4.0,A2BC_cF16_225_c_a_b:Co-Fe-Si +mp-1225227,Fe3Co3Si2,-7.5595230137,-0.3613163794,0.0,-0.0096486381,GGA,R3m,A3B3C2_hR24_160_3a_3a_2a:Co-Fe-Si,8.0,A3B3C2_hR24_160_3a_3a_2a:Co-Fe-Si +mp-1096315,Ti2FeCo,-4.804292355,3.0380384046,3.4487135125,3.4487135125,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Fe-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Fe-Ti +mp-1187429,Ti2FeCo,-8.248481715,-0.4061509554,0.0045241525,0.0045241525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Fe-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Fe-Ti +mp-1193657,Ti4Co4Si7,-7.259828324,-0.7269972936,0.0,-0.0436084538,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Ti,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Si-Ti +mp-1224983,FeCoSi2,-7.13134147,-0.5240977037,0.0040892888,0.0040892888,GGA,P2_1,ABC2_mP8_4_a_a_2a:Co-Fe-Si,8.0,ABC2_mP8_4_a_a_2a:Co-Fe-Si +mp-21662,TiFeSi2,-7.4492058723,-0.6451685506,0.0,-0.0405072454,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Fe-Si-Ti,48.0,"Invalid WP multiplicities - AB2C_oP48_55_ei_3g3hi_2g2i:Fe-Si-Ti, expected Ti6Fe3Si8 to be TiFeSi2" +mp-1217942,TaNbTe4,-6.4416391972,-0.6862548233,0.0070464476,0.0070464476,GGA,P1,ABC4_aP18_1_3a_3a_12a:Nb-Ta-Te,18.0,ABC4_aP18_1_3a_3a_12a:Nb-Ta-Te +mp-1345738,TaNbTe4,-5.5109987378,0.2443856361,0.937686907,0.937686907,GGA,P1,ABC4_aP18_1_3a_3a_12a:Nb-Ta-Te,18.0,ABC4_aP18_1_3a_3a_12a:Nb-Ta-Te +mp-675608,Nb3(CuTe3)2,-5.5470809645,-0.3323387991,0.27704051,0.27704051,GGA,P-1,A2B3C6_aP22_2_2i_3i_6i:Cu-Nb-Te,22.0,"Invalid WP multiplicities - A2B3C6_aP22_2_3i_5i_12i:Cu-Nb-Te, expected Nb5(CuTe4)3 to be Nb3(CuTe3)2" +mp-31510,NbCuTe2,-5.655249575,-0.5334687008,0.0253500325,0.0253500325,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cu-Nb-Te,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_4e:Cu-Nb-Te, expected NbCuTe4 to be NbCuTe2" +mp-991676,NbCu3Te4,-4.87404854,-0.5025299621,0.0,-0.0823622477,GGA,P-43m,A3BC4_cP8_215_c_b_e:Cu-Nb-Te,8.0,A3BC4_cP8_215_c_b_e:Cu-Nb-Te +mp-1217929,TaNb(Cu3Te4)2,-4.9702469656,-0.4889488508,0.0001435644,0.0001435644,GGA,P-4m2,A6BCD8_tP16_115_cdh_a_b_jk:Cu-Nb-Ta-Te,16.0,"Invalid WP multiplicities - A6BCD8_tP16_115_cdh_a_b_3j4k:Cu-Nb-Ta-Te, expected TaNb(Cu3Te14)2 to be TaNb(Cu3Te4)2" +mp-1220695,Nb2CuTe4,-5.8774973957,-0.6096344924,0.02825766,0.02825766,GGA,Pm,AB2C4_mP7_6_a_ab_2a2b:Cu-Nb-Te,7.0,AB2C4_mP7_6_a_ab_2a2b:Cu-Nb-Te +mp-1221198,Na4AgCl5,-3.570840252,-1.8343062043,0.000163541,0.000163541,GGA,Immm,AB5C4_oI20_71_a_c2f_2e:Ag-Cl-Na,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_c4f_3e:Ag-Cl-Na, expected Na6AgCl9 to be Na4AgCl5" +mp-29001,NaLuCl4,-4.7402312946,-2.5339608857,0.0,-0.0390484571,GGA,Pbcn,A4BC_oP24_60_2d_c_c:Cl-Lu-Na,24.0,"Invalid WP multiplicities - A4BC_oP24_60_6d_c_c:Cl-Lu-Na, expected NaLuCl12 to be NaLuCl4" +mp-865324,LuCl3,-5.1743884425,-2.6577483175000003,0.0,-2.6577483175000003,GGA,P6_3/mmc,A3B_hP8_194_h_c:Cl-Lu,8.0,A3B_hP8_194_h_c:Cl-Lu +mp-1111531,Na2LuAgCl6,-4.061116064,-1.952138357,0.1371482501,0.1371482501,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Lu-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Lu-Na +mp-1210445,Na3LuCl6,-4.3226183535,-2.3646437175,0.0,-0.0004205547,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Cl-Lu-Na,20.0,A6BC3_mP20_14_3e_a_be:Cl-Lu-Na +mp-1111891,Na3LuCl6,-4.195902564,-2.237927928,0.1267157895,0.1262952348,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Lu-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-Lu-Na +mp-1218108,Ta2Mn(ReSe4)2,-7.2454115385,-0.6504948659,0.2109860009,0.2109860009,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:Mn-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:Mn-Re-Se-Ta +mp-1093928,TaMnRe2,-6.94616467,4.531047153,4.6946590719,4.6946590719,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Re-Ta,4.0,AB2C_oI8_71_a_e_b:Mn-Re-Ta +mp-1096347,Ta2MnRe,-6.8493717025,4.4811527318,4.804309575,4.6944811003,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Mn-Re-Ta +mp-1186761,Ta2MnRe,-11.6536812775,-0.3231568432,0.0,-0.1098284747,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Re-Ta,4.0,ABC2_cF16_225_a_b_c:Mn-Re-Ta +mp-1173117,TaReSe4,-5.164061295,1.2169304926,2.1405985154,2.1405985154,GGA,P-6m2,AB4C_hP6_187_a_gh_d:Re-Se-Ta,6.0,AB4C_hP6_187_a_gh_d:Re-Se-Ta +mp-1217922,TaReSe4,-7.1689558983,-0.7879641107,0.1357039121,0.1357039121,GGA,P-6m2,AB4C_hP6_187_a_gh_d:Re-Se-Ta,6.0,"Invalid WP multiplicities - AB4C_hP6_187_a_2gh_d:Re-Se-Ta, expected TaReSe6 to be TaReSe4" +mp-1220336,Nd2Fe4Co13,-7.2044284442,-0.0557699684,0.0048479156,0.0048479156,GGA,R3m,A13B4C2_hR57_160_a2bc_ab_2a:Co-Fe-Nd,19.0,A13B4C2_hR57_160_a2bc_ab_2a:Co-Fe-Nd +mp-1220565,Nd(Co5Mo)2,-7.4963583538,0.0069205387,0.0609408137,0.0609408137,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Co-Mo-Nd,13.0,A10B2C_oI26_71_efhk_g_a:Co-Mo-Nd +mp-1220461,NdFe5Co5Mo2,-8.0322639785,-0.0052530033,0.0520973703,0.0520973703,GGA,P-1,A5B5C2D_aP13_2_b2i_cefi_i_a:Co-Fe-Mo-Nd,13.0,A5B5C2D_aP13_2_b2i_cefi_i_a:Co-Fe-Mo-Nd +mp-1190182,Nd2Fe15Co2,-7.88908908,0.0479240045,0.0701935452,0.0701935452,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Co-Fe-Nd,19.0,A2B15C2_hR57_166_c_dfh_c:Co-Fe-Nd +mp-1220581,Nd(Fe5Mo)2,-8.5204132369,0.030329821,0.0319662471,0.0319662471,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Nd,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Nd +mp-1111525,Na2ScAgCl6,-4.18923083,-1.8991012645,0.1247936228,0.1247936228,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Sc +mp-29432,NaScCl4,-4.9335153212,-2.4253251482,0.0,-0.0030587769,GGA,Pbcn,A4BC_oP24_60_2d_c_c:Cl-Na-Sc,24.0,"Invalid WP multiplicities - A4BC_oP24_60_6d_c_c:Cl-Na-Sc, expected NaScCl12 to be NaScCl4" +mp-1189516,Na3ScCl6,-4.436331687,-2.2972051925,0.0018365278,0.0018365278,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Cl-Na-Sc,20.0,A6B3C_mP20_14_3e_ae_b:Cl-Na-Sc +mp-1111444,Na3ScCl6,-4.3203592440000005,-2.1812327495,0.1178089708,0.1178089708,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Sc,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Sc +mp-989579,Rb2LiTlCl6,-3.532820213,-1.8004348012,0.0155801245,0.0155801245,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tl +mp-1113994,RbTlCl3,-3.410039869,-1.6322824292,0.0306932017,0.0306932017,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Cl-Rb-Tl,10.0,A3BC_cF40_225_e_c_ab:Cl-Rb-Tl +mp-29384,Rb3TlCl6,-3.49715494,-1.8576084076,0.0,-0.060011508,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-Rb-Tl,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-Rb-Tl +mp-1113993,Rb3TlCl6,-3.434492133,-1.7949456006000002,0.062662807,0.002651299,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tl,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tl +mp-1209198,RbTlCl2,-3.54488511,-1.7848224752,0.0,-0.0003851475,GGA,Fd-3m,A2BC_cF64_227_e_c_d:Cl-Rb-Tl,16.0,A2BC_cF64_227_e_c_d:Cl-Rb-Tl +mp-9206,CsAg5Te3,-3.155558525,-0.4346585174,0.0,-0.0072040311,GGA,P4_2/mnm,A5BC3_tP36_136_g2i_f_fi:Ag-Cs-Te,36.0,A5BC3_tP36_136_g2i_f_fi:Ag-Cs-Te +mp-1213692,CsAg3Te2,-3.1532016642,-0.5399213027,0.0,-0.0355022332,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Cs-Te,12.0,A3BC2_mC24_12_3i_i_2i:Ag-Cs-Te +mp-12904,HoAgTe2,-4.5438744038,-1.1184802388,0.0,-0.0110159756,GGA,P-42_1m,ABC2_tP8_113_a_c_e:Ag-Ho-Te,8.0,ABC2_tP8_113_a_c_e:Ag-Ho-Te +mp-1223840,HoAgTe2,-4.5229434225,-1.0975492575,0.0209309813,0.0099150056,GGA,P3m1,ABC2_hP4_156_a_b_ac:Ag-Ho-Te,4.0,ABC2_hP4_156_a_b_ac:Ag-Ho-Te +mp-1190472,CsHo2Ag3Te5,-4.1761042591,-1.0602481147,0.0,-0.0079268076,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Ho-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Ho-Te +mp-18505,CsHo3Te5,-5.0138199547,-1.6405801271,0.0,-0.0765108631,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Cs-Ho-Te,36.0,AB3C5_oP36_62_c_3c_5c:Cs-Ho-Te +mp-1183916,CsHo3,-2.9303014675,0.7303557780000001,0.7303557780000001,0.7303557780000001,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-Ho,4.0,AB3_cP4_221_a_c:Cs-Ho +mp-1183937,CsHo,-1.982659075,0.7562465460000001,0.7562465460000001,0.7562465460000001,GGA,P-6m2,AB_hP2_187_a_d:Cs-Ho,2.0,AB_hP2_187_a_d:Cs-Ho +mp-505322,CsTa(CuTe2)2,-4.8753153716,-0.6847132571,0.0,-0.0496830291,GGA,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:Cs-Cu-Ta-Te,32.0,AB2CD4_oP32_33_a_2a_a_4a:Cs-Cu-Ta-Te +mp-1228798,CsTaTe3,-5.283310629,-0.8466910926000001,0.0,-0.0367857077,GGA,P6_3mc,ABC3_hP10_186_b_a_c:Cs-Ta-Te,10.0,ABC3_hP10_186_b_a_c:Cs-Ta-Te +mp-1226739,Cs3Tb7Te12,-4.9536926711,-1.6424908286000002,0.0,-0.0820922001,GGA,Pmn2_1,A3B7C12_oP44_31_3a_7a_12a:Cs-Tb-Te,44.0,"Invalid WP multiplicities - A3B7C12_oP44_31_4a_10a_18a:Cs-Tb-Te, expected Cs2Tb5Te9 to be Cs3Tb7Te12" +mp-1190323,CsTb2Ag3Te5,-4.2040043986,-1.0787014851,0.0,-0.0204510949,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Tb-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Tb-Te +mp-3551,TbAgTe2,-4.5702293313,-1.1318458588,0.0,-0.0118440512,GGA,P-42_1m,ABC2_tP8_113_a_c_e:Ag-Tb-Te,8.0,ABC2_tP8_113_a_c_e:Ag-Tb-Te +mp-1095240,Ca3(GeIr)4,-6.1144707418,-0.6724118527,0.0,-0.025772705,GGA,I-43m,A3B4C4_cI22_217_b_c_c:Ca-Ge-Ir,11.0,A3B4C4_cI22_217_b_c_c:Ca-Ge-Ir +mp-1227179,CaLa(GeIr)4,-6.808925993,-0.7301804805000001,0.008699337,0.008699337,GGA,P4/mmm,AB4C4D_tP10_123_a_gh_i_d:Ca-Ge-Ir-La,10.0,"Invalid WP multiplicities - AB4C4D_tP10_123_a_g2h_i_d:Ca-Ge-Ir-La, expected CaLa(Ge3Ir2)2 to be CaLa(GeIr)4" +mp-16259,Ca(GeIr)2,-6.45282491,-0.66712012,0.0,-0.0865322147,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Ir,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Ir +mp-1095046,La(GeIr)2,-7.18242575,-0.8106395150000001,0.0,-0.0688508866,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ge-Ir-La,10.0,A2B2C_tP10_129_ac_bc_c:Ge-Ir-La +mp-621659,La2Ge5Ir3,-6.7322441785,-0.781998576,0.0,-0.0124423205,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ir-La,20.0,"Invalid WP multiplicities - A5B3C2_oI40_72_2a3f3j_bj_j:Ge-Ir-La, expected La2Ge14Ir3 to be La2Ge5Ir3" +mp-1077512,LaGeIr,-6.98184014,-0.8493504267,0.0,-0.0430809562,GGA,I4_1md,ABC_tI12_109_a_a_a:Ge-Ir-La,6.0,ABC_tI12_109_a_a_a:Ge-Ir-La +mp-1018746,LaGe2Ir3,-7.4585365767,-0.6756423508,0.0,-0.0001094217,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Ge-Ir-La,6.0,A2B3C_hP6_191_c_g_a:Ge-Ir-La +mp-20910,LaGe3Ir,-6.257177966,-0.728472996,0.0,-0.0681513419,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-Ir-La,5.0,A3BC_tI10_107_ab_a_a:Ge-Ir-La +mp-1202780,Ca3Ge13Ir4,-5.5014826507,-0.427987727,0.0,-0.0220921675,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ca-Ge-Ir,40.0,A3B13C4_cP40_223_c_ak_e:Ca-Ge-Ir +mp-1206149,La2(GeIr)3,-5.6867190825,0.5953309569,1.4204870637,1.4204870637,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-La,8.0,A3B3C2_tP8_123_ag_bg_g:Ge-Ir-La +mp-999136,TaInSe2,-6.276056355,-0.8757352762,0.0,-0.0177155608,GGA,P-6m2,AB2C_hP4_187_a_g_d:In-Se-Ta,4.0,AB2C_hP4_187_a_g_d:In-Se-Ta +mp-1208590,TaInSe2,-6.2630312625,-0.8627101837000001,0.0130250925,-0.0046904683,GGA,P-6m2,AB2C_hP4_187_a_h_b:In-Se-Ta,4.0,AB2C_hP4_187_a_h_b:In-Se-Ta +mp-1218192,Ta3(InSe3)2,-6.5771278,-0.9360215076,0.00991443,0.00991443,GGA,P-6m2,A2B6C3_hP11_187_g_3h_ag:In-Se-Ta,11.0,"Invalid WP multiplicities - A2B6C3_hP11_187_g_6h_ag:In-Se-Ta, expected Ta3(InSe6)2 to be Ta3(InSe3)2" +mp-1120727,TaIn3Se4,-4.9716814412,-0.7096220999,0.1013809925,0.1013809925,GGA,I-43m,A3B4C_cI16_217_b_c_a:In-Se-Ta,8.0,A3B4C_cI16_217_b_c_a:In-Se-Ta +mp-1218125,Ta2In(ReSe4)2,-6.8049953985,-0.7031811538,0.1818388905,0.1818388905,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:In-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:In-Re-Se-Ta +mp-1105273,CsBi2Br7,-3.3781313155,-1.4333734213,0.0102137538,0.0102137538,GGA,P-1,A2B7C_aP20_2_2i_7i_i:Bi-Br-Cs,20.0,A2B7C_aP20_2_2i_7i_i:Bi-Br-Cs +mp-680674,Cs3Bi2Br9,-3.4054219714,-1.6665333753,0.0011559886,-0.0441671375,GGA,C2/c,A2B9C3_mC56_15_f_acd3f_bf:Bi-Br-Cs,28.0,"Invalid WP multiplicities - A2B9C3_mC56_15_f_2a2b2c8f_2d3f:Bi-Br-Cs, expected Cs4BiBr11 to be Cs3Bi2Br9" +mp-27544,Cs3Bi2Br9,-3.40657796,-1.6676893638,0.0,-0.0453231261,GGA,P-3m1,A2B9C3_hP14_164_d_ei_ad:Bi-Br-Cs,14.0,"Invalid WP multiplicities - A2B9C3_hP14_164_d_e2i_ad:Bi-Br-Cs, expected Cs3Bi2Br15 to be Cs3Bi2Br9" +mp-1112905,Cs2HgBiBr6,-3.008290038,-1.4829756161,0.0411968656,0.0411968656,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Hg +mp-1112980,Cs3BiBr6,-3.337850709,-1.7533640864,0.042472952,0.042472952,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Br-Cs,10.0,AB6C3_cF40_225_a_e_bc:Bi-Br-Cs +mp-20646,Sm(MnGe)2,-6.936584678,-0.4788501922,0.0,-0.0414269036,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Sm,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Sm +mp-1219329,SmMnGe,-6.62193088,-0.4540544526,0.122863369,0.122863369,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Sm +mp-1095161,SmMnGe2,-6.2417029575,-0.4600386732,0.0955158797,0.0955158797,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Mn-Sm,8.0,A2BC_oC16_63_2c_c_c:Ge-Mn-Sm +mp-1104498,Sm(MnGe)6,-7.0246546869,-0.2993589164,0.0,-0.0396409708,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Sm,13.0,A6B6C_hP13_191_cde_i_a:Ge-Mn-Sm +mp-1198314,Sm(MnSn)6,-6.5748326682,-0.1326704361,0.0090539747,0.0090539747,GGA,Immm,A6BC6_oI78_71_hkno_af_3e3fgn:Mn-Sm-Sn,39.0,A6BC6_oI78_71_hkno_af_3e3fgn:Mn-Sm-Sn +mp-1104709,Sm(MnSn)6,-6.57517638,-0.1330141479,0.0087102629,0.0087102629,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Mn-Sm-Sn,13.0,A6BC6_hP13_191_i_a_cde:Mn-Sm-Sn +mp-1102165,Sm3(MnSn)4,-6.3676395409,-0.2910843597,0.1451175427,0.1451175427,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Mn-Sm-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Mn-Sm-Sn +mp-1208950,SmMn6(Sn2Ge)2,-6.7499373231,-0.2133972448,0.0031869488,0.0031869488,GGA,P6/mmm,A2B6CD4_hP13_191_c_i_a_de:Ge-Mn-Sm-Sn,13.0,A2B6CD4_hP13_191_c_i_a_de:Ge-Mn-Sm-Sn +mp-1105457,TlCuCl3,-3.4822783455,-1.0807863862,0.0,-0.0010996335,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Cu-Tl,20.0,A3BC_mP20_14_3e_e_e:Cl-Cu-Tl +mp-998147,TlCuCl3,-3.464869648,-1.0633776887,0.0174086975,0.016309064,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Cu-Tl,5.0,A3BC_cP5_221_c_b_a:Cl-Cu-Tl +mp-1111482,Rb2TlCuCl6,-3.501522497,-1.5501087048,0.0237367944,0.0237367944,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tl +mp-1110693,Rb3InCl6,-3.657311537,-1.9788609462,0.0,-0.055299462,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-In-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-In-Rb +mp-998195,RbInCl3,-3.589622518,-1.7340569615,0.036473369,0.0202954525,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-In-Rb,5.0,A3BC_aP5_1_3a_a_a:Cl-In-Rb +mp-998204,RbInCl3,-3.58963095,-1.7340653935,0.036464937,0.0202870205,GGA,P4mm,A3BC_tP5_99_ac_a_b:Cl-In-Rb,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-In-Rb, expected RbInCl5 to be RbInCl3" +mp-998753,RbInCl3,-3.593625189,-1.7380596325000002,0.032470698,0.0162927815,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-In-Rb,10.0,A3BC_hR30_161_b_a_a:Cl-In-Rb +mp-1114001,RbInCl3,-3.626095887,-1.7705303305000002,0.0,-0.0161779165,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:Cl-In-Rb,10.0,A3BC_cF40_225_e_ab_c:Cl-In-Rb +mp-23503,Na3InCl6,-3.687021881,-1.905973924,0.0,-0.063566001,GGA,P-31c,A6BC3_hP20_163_i_c_af:Cl-In-Na,20.0,"Invalid WP multiplicities - A6BC3_hP20_163_i_c_a2f:Cl-In-Na, expected Na5InCl6 to be Na3InCl6" +mp-1110792,Na3InCl6,-3.540907678,-1.7598597210000002,0.146114203,0.082548202,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-In-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-In-Na +mp-989547,Rb2NaInCl6,-3.698462948,-1.9858132352,0.0,-0.031247963,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-In-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-In-Na-Rb +mp-998732,TlInCl3,-3.449334148,-1.3173467767,0.0646634925,0.0646634925,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-In-Tl,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-In-Tl, expected TlInCl5 to be TlInCl3" +mp-989550,Rb2TlInCl6,-3.621092635,-1.8044311368,0.0,-0.028177419,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Tl +mp-1197432,CsHgCl3,-2.887638984,-1.5387004406,0.0180411893,0.0079295353,GGA,P2_1/c,A3BC_mP40_14_6e_ace_bde:Cl-Cs-Hg,40.0,A3BC_mP40_14_6e_ace_bde:Cl-Cs-Hg +mp-29845,CsHgCl3,-2.9056801733,-1.5567416299,0.0,-0.010111654,GGA,P3_2,A3BC_hP45_145_9a_3a_3a:Cl-Cs-Hg,45.0,A3BC_hP45_145_9a_3a_3a:Cl-Cs-Hg +mp-675010,CsHgCl3,-2.826351826,-1.4774132826000002,0.0793283473,0.0692166933,GGA,P-42_1m,A3BC_tP10_113_ce_a_c:Cl-Cs-Hg,10.0,"Invalid WP multiplicities - A3BC_tP10_113_2ce_a_c:Cl-Cs-Hg, expected CsHgCl4 to be CsHgCl3" +mp-1228834,CsHgCl3,-2.871682494,-1.5227439506,0.0339976793,0.0238860253,GGA,R3m,A3BC_hR15_160_b_a_a:Cl-Cs-Hg,5.0,A3BC_hR15_160_b_a_a:Cl-Cs-Hg +mp-570591,CsHgCl3,-2.872839774,-1.5239012306,0.0328403993,0.0227287453,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Hg,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Hg +mp-573974,Tl10Hg3Cl16,-3.0888227428,-1.2228207041,0.0086783866,0.0086783866,GGA,I4/m,A16B3C10_tI58_87_2ehi_ad_ei:Cl-Hg-Tl,29.0,"Invalid WP multiplicities - A16B3C10_tI58_87_4e3h3i_ad_2e3i:Cl-Hg-Tl, expected Tl28Hg3Cl44 to be Tl10Hg3Cl16" +mp-568628,CsHg5Cl11,-2.5140147265,-1.1759142878,0.0028675288,-0.0051859161,GGA,C2/m,A11BC5_mC34_12_ci2j_a_bj:Cl-Cs-Hg,17.0,"Invalid WP multiplicities - A11BC5_mC34_12_ci7j_a_b2j:Cl-Cs-Hg, expected CsHg9Cl31 to be CsHg5Cl11" +mp-1542042,CsHg5Cl11,-2.5168822553,-1.1787818166,0.0,-0.0080534449,GGA,C2/m,A11BC5_mC34_12_ci2j_a_bj:Cl-Cs-Hg,17.0,"Invalid WP multiplicities - A11BC5_mC34_12_ci7j_a_b2j:Cl-Cs-Hg, expected CsHg9Cl31 to be CsHg5Cl11" +mp-1113292,Cs2TlHgCl6,-3.151936121,-1.5971012994,0.0225969182,0.0225969182,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Tl +mp-1203522,Cs2HgCl4,-3.1254851796,-1.7699663583,0.0,-0.0077802465,GGA,P2_1/c,A4B2C_mP56_14_8e_4e_2e:Cl-Cs-Hg,56.0,A4B2C_mP56_14_8e_4e_2e:Cl-Cs-Hg +mp-1193711,Cs2HgCl4,-3.1211430268,-1.7656242055,0.0043421529,-0.0034380936,GGA,P2_12_12_1,A4B2C_oP28_19_4a_2a_a:Cl-Cs-Hg,28.0,A4B2C_oP28_19_4a_2a_a:Cl-Cs-Hg +mp-1192761,Cs2HgCl4,-3.1215237389,-1.7660049176,0.0039614407,-0.0038188058,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Hg,28.0,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Hg +mp-27386,TlHg5Cl11,-2.4726796965,-1.048270977,0.00140483,0.00140483,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-Tl,17.0,"Invalid WP multiplicities - A11B5C_mC34_12_ci3j_bj_a:Cl-Hg-Tl, expected Tl(HgCl3)5 to be TlHg5Cl11" +mp-27354,Cs3HgCl5,-3.2354964664,-1.8763219351,0.0014185933,0.0014185933,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Cl-Cs-Hg,36.0,A5B3C_oP36_62_3cd_cd_c:Cl-Cs-Hg +mp-1105094,TlHgCl3,-2.787549608,-1.1451629097,0.0,-0.00865796,GGA,Pnma,A3BC_oP20_62_3c_c_c:Cl-Hg-Tl,20.0,A3BC_oP20_62_3c_c_c:Cl-Hg-Tl +mp-1025180,Mn(CrSe2)2,-6.8350174586,-0.7704808668,0.0,-0.022098985,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Mn-Se,7.0,A2BC4_mC14_12_i_a_2i:Cr-Mn-Se +mp-4697,Zn(CrSe2)2,-5.80058733,-0.8649466928,0.0,-0.014194875,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cr-Se-Zn,14.0,A2B4C_cF56_227_c_e_b:Cr-Se-Zn +mp-1221987,Mn2CrSe3,-6.9786567517,-0.5678546705,0.0793479202,0.0793479202,GGA,Immm,AB2C3_oI12_71_a_e_cf:Cr-Mn-Se,6.0,"Invalid WP multiplicities - AB2C3_oI12_71_a_e_c2f:Cr-Mn-Se, expected Mn2CrSe5 to be Mn2CrSe3" +mp-1095028,Zn3CrSe4,-4.1912128775,-0.7642223512,0.1224277883,0.1224277883,GGA,P-43m,AB4C3_cP8_215_a_e_c:Cr-Se-Zn,8.0,AB4C3_cP8_215_a_e_c:Cr-Se-Zn +mp-1221503,MnZnSe2,-5.1286550325,-0.7752595682000001,0.0018584175,0.0008996419,GGA,P3m1,AB2C_hP4_156_a_ab_b:Mn-Se-Zn,4.0,AB2C_hP4_156_a_ab_b:Mn-Se-Zn +mp-1221500,MnZnSe2,-5.13051345,-0.7771179857,0.0,-0.0009587756,GGA,R3m,AB2C_hR12_160_a_2a_a:Mn-Se-Zn,4.0,AB2C_hR12_160_a_2a_a:Mn-Se-Zn +mp-1221561,MnZn3(CrSe2)8,-6.0641237761,-0.8462591502,0.0,-0.0049289139,GGA,R3m,A8BC16D3_hR84_160_2a2b_a_4a4b_3a:Cr-Mn-Se-Zn,28.0,"Invalid WP multiplicities - A8BC16D3_hR84_160_2a6b_a_4a12b_3a:Cr-Mn-Se-Zn, expected MnZn3(CrSe2)20 to be MnZn3(CrSe2)8" +mp-1221515,MnZn4Se5,-4.053949695,-0.885894983,0.0,-0.00411117,GGA,Cm,AB5C4_mC20_8_a_5a_4a:Mn-Se-Zn,10.0,AB5C4_mC20_8_a_5a_4a:Mn-Se-Zn +mp-1221510,MnZn4Se5,-4.036004587,-0.8679498750000001,0.017945108,0.013833938,GGA,R3m,AB5C4_hR30_160_a_5a_4a:Mn-Se-Zn,10.0,AB5C4_hR30_160_a_5a_4a:Mn-Se-Zn +mp-1103546,Mn2ZnSe4,-5.5594985771,-0.7641528479,0.0,-0.0571043904,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Mn-Se-Zn,14.0,A2B4C_cF56_227_c_e_b:Mn-Se-Zn +mp-1221523,MnZnSe4,-4.6769311167000005,-0.6093636479,0.0195283983,0.0195283983,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Mn-Se-Zn,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_d:Mn-Se-Zn, expected MnZnSe8 to be MnZnSe4" +mp-637771,ZrInNi4,-6.104099785,-0.367444605,0.0,-0.0035561958,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Ni-Zr,6.0,AB4C_cF24_216_a_e_c:In-Ni-Zr +mp-1223697,InNi3Sb,-5.00511266,-0.160893658,0.0629171507,0.0629171507,GGA,P-6m2,AB3C_hP5_187_b_ai_c:In-Ni-Sb,5.0,AB3C_hP5_187_b_ai_c:In-Ni-Sb +mp-1206964,Zr6NiSb2,-7.8829235167,-0.62466319,0.0,-0.043795335,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Ni-Sb-Zr,9.0,AB2C6_hP9_189_a_d_fg:Ni-Sb-Zr +mp-19906,Zr2InNi2,-6.782727019,-0.501255349,0.0003832915,-0.093780602,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Zr,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Zr +mp-632502,Zr2InNi2,-6.7831103105,-0.5016386405000001,0.0,-0.0941638935,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Ni-Zr,20.0,"Invalid WP multiplicities - AB2C2_tP20_136_d_j_2f3g:In-Ni-Zr, expected Zr5InNi2 to be Zr2InNi2" +mp-1188079,Zr2InNi2,-6.7826710465,-0.5011993765,0.000439264,-0.0937246295,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Ni-Zr,20.0,AB2C2_tP20_136_d_j_fg:In-Ni-Zr +mp-602268,Zr2In5Ni,-4.8542526103,-0.2750080366,0.0,-0.0100980342,GGA,P4_2/mnm,A5BC2_tP32_136_ek_f_fg:In-Ni-Zr,32.0,"Invalid WP multiplicities - A5BC2_tP32_136_4e4k_f_3f2g:In-Ni-Zr, expected Zr5In20Ni to be Zr2In5Ni" +mp-1106076,Zr5NiSb3,-7.5421356339,-0.7748419061,0.0,-0.0610624658,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ni-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Ni-Sb-Zr +mp-22174,Zr3NiSb7,-6.1129371191,-0.6287328236,0.0,-0.0047832862,GGA,Pnma,AB7C3_oP44_62_c_7c_3c:Ni-Sb-Zr,44.0,AB7C3_oP44_62_c_7c_3c:Ni-Sb-Zr +mp-3469,ZrNi2Sb,-6.6648242475,-0.60558044,0.0,-0.0190365234,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Ni-Sb-Zr,8.0,A2BC_hP8_194_f_a_c:Ni-Sb-Zr +mp-19904,ZrNi2Sb,-6.518637345,-0.4593935375,0.1461869025,0.1271503791,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sb-Zr,4.0,A2BC_cF16_225_c_a_b:Ni-Sb-Zr +mp-1215292,ZrInNi2,-6.011266375,-0.296351945,0.1093670825,0.1029091381,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Ni-Zr,4.0,AB2C_tP4_123_a_h_b:In-Ni-Zr +mp-20744,ZrInNi2,-6.1206334575,-0.4057190275,0.0,-0.0064579444,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-Zr,4.0,AB2C_cF16_225_a_c_b:In-Ni-Zr +mp-17926,Zr3Ni3Sb4,-6.677528467,-0.7275767780000001,0.0,-0.0619636709,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Ni-Sb-Zr,20.0,A3B4C3_cI40_220_a_c_b:Ni-Sb-Zr +mp-1192450,Zr5NiSb9,-6.3860466877,-0.674069955,0.0211891484,0.0211891484,GGA,P4/n,AB9C5_tP30_85_a_c2g_cg:Ni-Sb-Zr,30.0,AB9C5_tP30_85_a_c2g_cg:Ni-Sb-Zr +mp-20697,ZrNiSb,-6.8534781083,-0.7011985917,0.0,-0.0039303028,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sb-Zr,12.0,ABC_oP12_62_c_c_c:Ni-Sb-Zr +mp-1217809,Ta12Ga3(TeSe2)8,-6.8772858464,-0.9168076306,0.0115391531,0.0115391531,GGA,P1,A3B16C12D8_aP39_1_3a_16a_12a_8a:Ga-Se-Ta-Te,39.0,A3B16C12D8_aP39_1_3a_16a_12a_8a:Ga-Se-Ta-Te +mp-1104454,Ta4Ga(TeSe)4,-6.7835910638,-0.8592775233000001,0.0,-0.012915964,GGA,F-43m,AB4C4D4_cF52_216_a_e_e_e:Ga-Se-Ta-Te,13.0,AB4C4D4_cF52_216_a_e_e_e:Ga-Se-Ta-Te +mp-1218083,Ta6TeSe2,-9.5557468006,-0.5244362863,0.0,-0.0021800793,GGA,C2/m,A2B6C_mC36_12_2i_6i_i:Se-Ta-Te,18.0,"Invalid WP multiplicities - A2B6C_mC36_12_3i_12i_i:Se-Ta-Te, expected Ta12TeSe3 to be Ta6TeSe2" +mp-28423,Ga2TeSe2,-4.026075114,-0.7878109353,0.0,-0.0173101603,GGA,I4_1md,A2B2C_tI20_109_b_b_a:Ga-Se-Te,10.0,A2B2C_tI20_109_b_b_a:Ga-Se-Te +mp-3663,Ta4GaSe8,-7.0698117523,-1.0370041859,0.0197418267,0.0197418267,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ga-Se-Ta,13.0,AB8C4_cF52_216_a_2e_e:Ga-Se-Ta +mp-1218080,Ta4Ga(Te3Se)2,-6.6048759108,-0.7348093832,0.0050154374,0.0050154374,GGA,Imm2,AB2C4D6_oI26_44_a_c_cd_c2d:Ga-Se-Ta-Te,13.0,AB2C4D6_oI26_44_a_c_cd_c2d:Ga-Se-Ta-Te +mp-5749,Cr2FeSe4,-6.6301397086,-0.6644594142,0.0595374693,0.0595374693,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Fe-Se,7.0,A2BC4_mC14_12_i_a_2i:Cr-Fe-Se +mp-1215604,Zn3Cr8FeSe16,-6.0040825043,-0.8109319528000001,0.0187772877,0.0187772877,GGA,R3m,A8BC16D3_hR84_160_2a2b_a_4a4b_3a:Cr-Fe-Se-Zn,28.0,"Invalid WP multiplicities - A8BC16D3_hR84_160_2a6b_a_4a12b_3a:Cr-Fe-Se-Zn, expected Zn3Cr20FeSe40 to be Zn3Cr8FeSe16" +mp-673844,Cr(FeSe2)2,-6.1752909,-0.3786143571,0.2720145079,0.2720145079,GGA,P1,AB2C4_aP7_1_a_2a_4a:Cr-Fe-Se,7.0,AB2C4_aP7_1_a_2a_4a:Cr-Fe-Se +mp-1226067,Cr(FeSe2)2,-6.3526433571,-0.5559668142,0.0946620507,0.0946620507,GGA,Cm,AB2C4_mC14_8_a_2a_4a:Cr-Fe-Se,7.0,AB2C4_mC14_8_a_2a_4a:Cr-Fe-Se +mp-568349,Cr(FeSe2)2,-6.35722232,-0.5605457771,0.0900830879,0.0900830879,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Fe-Se,7.0,"Invalid WP multiplicities - AB2C4_mC14_12_a_i_3i:Cr-Fe-Se, expected Cr(FeSe3)2 to be Cr(FeSe2)2" +mp-1215532,Zn4FeSe5,-3.875977002,-0.7771216982,0.085710879,0.085710879,GGA,R3m,AB5C4_hR30_160_a_5a_4a:Fe-Se-Zn,10.0,AB5C4_hR30_160_a_5a_4a:Fe-Se-Zn +mp-1215619,ZnCr4CuSe8,-5.9424811536,-0.8040217263,0.0048601625,0.0048601625,GGA,F-43m,A4BC8D_cF56_216_e_a_2e_c:Cr-Cu-Se-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Cr-Cu-Se-Zn +mp-674310,Cr4Cu3Se8,-5.928643334,-0.6701698866,0.0324593927,0.0324593927,GGA,Imm2,A4B3C8_oI30_44_cd_2ab_2c2d:Cr-Cu-Se,15.0,"Invalid WP multiplicities - A4B3C8_oI30_44_cd_2ab_3c3d:Cr-Cu-Se, expected Cr4(CuSe4)3 to be Cr4Cu3Se8" +mp-7861,CrCuSe2,-5.5942357425,-0.4082164687,0.2504984806,0.2504984806,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Cu-Se,4.0,ABC2_hR12_160_a_a_2a:Cr-Cu-Se +mp-568587,CrCuSe2,-5.7893257375000005,-0.6033064637000001,0.0554084856,0.0554084856,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Cu-Se,4.0,ABC2_hR12_160_a_a_2a:Cr-Cu-Se +mp-1215824,ZnCr8Cu3Se16,-6.0178107857,-0.7779419635,0.0029075234,0.0029075234,GGA,R3m,A8B3C16D_hR84_160_2a2b_3a_4a4b_a:Cr-Cu-Se-Zn,28.0,"Invalid WP multiplicities - A8B3C16D_hR84_160_2a4b_3a_4a12b_a:Cr-Cu-Se-Zn, expected ZnCr14Cu3Se40 to be ZnCr8Cu3Se16" +mp-1178643,ZnCrCu3Se4,-4.5818149156,-0.4491419155,0.1445146428,0.1445146428,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Cr-Cu-Se-Zn,9.0,AB3C4D_cP9_215_b_c_e_a:Cr-Cu-Se-Zn +mp-3880,Cr2CuSe4,-6.0940953021,-0.7528170849,0.0,-0.0545365264,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Cu-Se,14.0,A2BC4_cF56_227_c_b_e:Cr-Cu-Se +mp-27163,Ga(Ag3Se2)3,-3.4443166294,-0.350781072,0.0,-0.0097321203,GGA,P2_13,A9BC6_cP64_198_3b_a_3ab:Ag-Ga-Se,64.0,A9BC6_cP64_198_3b_a_3ab:Ag-Ga-Se +mp-1228309,Ba4Ga5AgSe12,-4.470989488,-1.3982679603,0.0131948902,0.0131948902,GGA,P-4,AB4C5D12_tP44_81_g_2h_ad2h_6h:Ag-Ba-Ga-Se,44.0,"Invalid WP multiplicities - AB4C5D12_tP44_81_g_8h_ad8h_24h:Ag-Ba-Ga-Se, expected Ba16Ga17AgSe48 to be Ba4Ga5AgSe12" +mp-1224792,GaAgSe2,-3.87023113,-0.6571123847,0.0335176263,-0.0189057919,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ag-Ga-Se,4.0,ABC2_tP4_115_a_c_g:Ag-Ga-Se +mp-5518,GaAgSe2,-3.9037487562,-0.690630011,0.0,-0.0524234182,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Ga-Se,8.0,ABC2_tI16_122_a_b_d:Ag-Ga-Se +mp-1198460,Ba7Ga5AgSe15,-4.5853536441,-1.5909060419,0.007478008,0.007478008,GGA,P31c,AB7C5D15_hP56_159_b_a2c_abc_a2b4c:Ag-Ba-Ga-Se,56.0,AB7C5D15_hP56_159_b_a2c_abc_a2b4c:Ag-Ba-Ga-Se +mp-1228403,Ba2Ga7Ag,-3.197101267,-0.4103834629,0.0080281203,0.0080281203,GGA,P-4m2,AB2C7_tP10_115_a_g_bcd2g:Ag-Ba-Ga,10.0,"Invalid WP multiplicities - AB2C7_tP10_115_a_g_bcd4g:Ag-Ba-Ga, expected Ba2Ga11Ag to be Ba2Ga7Ag" +mp-1197249,Ho2Fe5Co12,-7.3069486076,-0.1061729587,0.012182692,0.012182692,GGA,P6_3/mmc,A12B5C2_hP38_194_jk_fg_bc:Co-Fe-Ho,38.0,A12B5C2_hP38_194_jk_fg_bc:Co-Fe-Ho +mp-1223958,HoTiCo11,-7.1165437031,-0.1419747314,0.0120466724,0.0120466724,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Co-Ho-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Co-Ho-Ti +mp-1224012,HoTiFe8Co3,-7.91789574,-0.105355436,0.031068855,0.031068855,GGA,Imm2,A3B8CD_oI26_44_ac_2bce_a_a:Co-Fe-Ho-Ti,13.0,A3B8CD_oI26_44_ac_2bce_a_a:Co-Fe-Ho-Ti +mp-1224104,HoTiFe11,-8.2075553254,-0.0807757718,0.0105518226,0.0105518226,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Ho-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Ho-Ti +mp-1223978,HoFeCo,-6.903165455,-0.1829161633,0.0,-0.0213658483,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-Ho,6.0,ABC_oI12_74_a_c_e:Co-Fe-Ho +mp-1206862,Ce(GaNi)2,-5.200915846,-0.491004934,0.0563723563,0.0563723563,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ga-Ni,5.0,AB2C2_tI10_139_a_e_d:Ce-Ga-Ni +mp-11351,CeAlNi,-5.7225657578,-0.5696318694,0.0,-0.0938761611,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Ce-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Ce-Ni +mp-7720,Ce2Ga10Ni,-4.1194861838,-0.4327727058,0.0073918454,0.0073918454,GGA,I4/mmm,A2B10C_tI26_139_e_d2eg_a:Ce-Ga-Ni,13.0,"Invalid WP multiplicities - A2B10C_tI26_139_e_d3eg_a:Ce-Ga-Ni, expected Ce2Ga12Ni to be Ce2Ga10Ni" +mp-1190078,CeGa6Ni,-4.166190185,-0.4309649387,0.0,-0.0101863127,GGA,P4/mmm,AB6C_tP8_123_a_hi_b:Ce-Ga-Ni,8.0,AB6C_tP8_123_a_hi_b:Ce-Ga-Ni +mp-1228918,AlGaNi6,-5.5445438775,-0.3627323859,0.0,-0.0002314125,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Al-Ga-Ni,8.0,ABC6_tP8_123_a_b_cdi:Al-Ga-Ni +mp-1226626,CeAlNi4,-5.9668544383,-0.5003191542000001,0.0,-0.0202862981,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Ce-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Ce-Ni +mp-1226683,CeAlNi4,-5.8988748117,-0.4323395275,0.0679796267,0.0476933286,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Ce-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Ce-Ni +mp-20338,CeAl3Ni2,-5.3971933383,-0.6088450042,0.0,-0.0130921835,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Ce-Ni,6.0,A3BC2_hP6_191_g_a_c:Al-Ce-Ni +mp-1227010,Ce2AlGaNi2,-5.6265682961,-0.5932143757,0.0,-0.0014619161,GGA,Pm,AB2CD2_mP18_6_3a_6b_3a_4a2b:Al-Ce-Ga-Ni,18.0,AB2CD2_mP18_6_3a_6b_3a_4a2b:Al-Ce-Ga-Ni +mp-582245,Ce4Al23Ni6,-4.8831093533,-0.5024602385,0.0,-0.013824749,GGA,C2/m,A23B4C6_mC66_12_a11i_2i_3i:Al-Ce-Ni,33.0,"Invalid WP multiplicities - A23B4C6_mC66_12_a21i_3i_6i:Al-Ce-Ni, expected Ce6Al43Ni12 to be Ce4Al23Ni6" +mp-1226603,CeGa3Ni,-4.74954122,-0.5900384395,0.0,-0.054041473,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ce-Ga-Ni,,AB3C_tI10_107_a_ab_a:Ce-Ga-Ni +mp-1226580,CeGa3Ni,-4.659813078,-0.5003102975,0.089728142,0.035686669,GGA,I-4m2,AB3C_tI10_119_c_af_b:Ce-Ga-Ni,5.0,AB3C_tI10_119_c_af_b:Ce-Ga-Ni +mp-4817,CeAl5Ni2,-5.111455155,-0.5837999469,0.0,-0.017082455,GGA,Immm,A5BC2_oI16_71_am_c_e:Al-Ce-Ni,8.0,A5BC2_oI16_71_am_c_e:Al-Ce-Ni +mp-1206482,CeAl2Ni,-5.32460198,-0.5235076062,0.0393680024,0.0393680024,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ce-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Ce-Ni +mp-1228603,Al3Ga3Ni10,-5.3590380881,-0.4763891908,0.0,-0.0056144613,GGA,Pm,A3B3C10_mP16_6_3a_a2b_4a6b:Al-Ga-Ni,16.0,A3B3C10_mP16_6_3a_a2b_4a6b:Al-Ga-Ni +mp-1226588,CeGaNi4,-5.8203196233,-0.4733643071,0.0,-0.0444844408,GGA,Cmmm,ABC4_oC12_65_a_c_fg:Ce-Ga-Ni,6.0,ABC4_oC12_65_a_c_fg:Ce-Ga-Ni +mp-1226664,CeGaNi4,-5.7729902083,-0.4260348921,0.047329415,0.0028449742,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Ga-Ni,6.0,ABC4_hP6_187_a_c_ek:Ce-Ga-Ni +mp-1104373,Ce3Ga10Ni,-4.3624552693,-0.5152863857000001,0.0257664755,0.0257664755,GGA,Pmmm,A3B10C_oP14_47_aj_i2k2l_d:Ce-Ga-Ni,14.0,A3B10C_oP14_47_aj_i2k2l_d:Ce-Ga-Ni +mp-600663,CeGaNi,-5.4779353908,-0.5641614383,0.0497116114,-0.0547435772,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ga-Ni,12.0,ABC_oP12_62_c_c_c:Ce-Ga-Ni +mp-31492,CeGaNi,-5.5276470022,-0.6138730497,0.0,-0.1044551886,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Ga-Ni,9.0,ABC_hP9_189_f_g_ad:Ce-Ga-Ni +mp-1095779,AlGaNi2,-2.758878445,1.8246078581,2.3532548498,2.3532548498,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ga-Ni,4.0,ABC2_oI8_71_a_b_e:Al-Ga-Ni +mp-1183173,AlGaNi2,-5.0945713975,-0.5110850944,0.0175618973,0.0175618973,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ga-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Ga-Ni +mp-1194147,Ce3(GaNi)2,-5.5404471393,-0.4810567293,0.0451201705,0.0451201705,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Ce-Ga-Ni,28.0,A3B2C2_oP28_57_de_cd_e:Ce-Ga-Ni +mp-30750,CeAl4Ni,-4.9849514125,-0.5356965533,0.0,-0.0087991812,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ce-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Ce-Ni +mp-3303,Ce(AlGa)2,-4.32567142,-0.429584848,0.0,-0.0235843764,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ce-Ga,5.0,A2BC2_tI10_139_d_a_e:Al-Ce-Ga +mp-1025446,CeGa2Ni,-5.0194310888,-0.5770766188,0.0218997996,0.0218997996,GGA,Cmmm,AB2C_oC16_65_h_acg_g:Ce-Ga-Ni,8.0,AB2C_oC16_65_h_acg_g:Ce-Ga-Ni +mp-1226618,CeAlGa,-4.7277551367,-0.4921681342,0.0352489475,0.0352489475,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Ce-Ga,3.0,ABC_hP3_187_a_d_e:Al-Ce-Ga +mp-567195,Ce2Ga12Ni,-3.988095866,-0.3891980487,0.0,-0.0089395987,GGA,P4/nbm,A2B12C_tP30_125_h_2g2m_c:Ce-Ga-Ni,30.0,"Invalid WP multiplicities - A2B12C_tP30_125_h_8g11m_c:Ce-Ga-Ni, expected Ce2Ga60Ni to be Ce2Ga12Ni" +mp-1226750,CeGa2Ni3,-5.3939040267,-0.5056221533,0.0073557183,0.002293158,GGA,Cmmm,AB2C3_oC12_65_a_f_cg:Ce-Ga-Ni,6.0,AB2C3_oC12_65_a_f_cg:Ce-Ga-Ni +mp-1227952,CeGa2Ni3,-5.401259745,-0.5129778717,0.0,-0.0050625603,GGA,P-62m,AB2C3_hP18_189_ad_fg_gj:Ce-Ga-Ni,18.0,AB2C3_hP18_189_ad_fg_gj:Ce-Ga-Ni +mp-1211466,La3(Si3Pd10)2,-6.0139895214,-0.8085562216000001,0.0,-0.074117593,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:La-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:La-Pd-Si +mp-1103548,Ce3(SiPd)4,-6.3766269064,-0.9020753768,0.0,-0.0325375995,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:Ce-Pd-Si,11.0,A3B4C4_oI22_71_af_ef_ef:Ce-Pd-Si +mp-30155,Ce3SiPd5,-6.3018387589,-0.8436171428,0.0,-0.031104449,GGA,Imma,A3B5C_oI36_74_ei_aj_e:Ce-Pd-Si,18.0,"Invalid WP multiplicities - A3B5C_oI36_74_ei_a2j_e:Ce-Pd-Si, expected Ce3SiPd9 to be Ce3SiPd5" +mp-571217,La3SiPd5,-6.0299609806,-0.9041000478,0.0,-0.0288489507,GGA,Imma,A3B5C_oI36_74_ei_aj_e:La-Pd-Si,18.0,"Invalid WP multiplicities - A3B5C_oI36_74_2e2i_aj_e:La-Pd-Si, expected La6SiPd5 to be La3SiPd5" +mp-1203477,Ce2SiPd14,-5.8614839041,-0.5785520406,0.0,-0.0087435472,GGA,P4/nmm,A2B14C_tP34_129_ac_e2ij_c:Ce-Pd-Si,34.0,A2B14C_tP34_129_ac_e2ij_c:Ce-Pd-Si +mp-1222905,LaCePd6,-6.08056309,-0.8370147,0.0,-0.0049478934,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Ce-La-Pd,8.0,ABC6_tP8_123_a_b_cdi:Ce-La-Pd +mp-1213807,CeSiPd,-6.3721573442,-0.8593943458000001,0.0,-0.0195685432,GGA,P2_1/c,ABC_mP24_14_2e_2e_2e:Ce-Pd-Si,24.0,ABC_mP24_14_2e_2e_2e:Ce-Pd-Si +mp-1223114,La4CePd15,-6.000751942,-0.8319847057,0.0,-0.0044142495,GGA,P4/mmm,AB4C15_tP20_123_a_2g_ce2h2i:Ce-La-Pd,20.0,"Invalid WP multiplicities - AB4C15_tP20_123_a_3g_c2e3h7i:Ce-La-Pd, expected La6CePd39 to be La4CePd15" +mp-568625,La3(SiPd)4,-6.1141886064,-0.911568545,0.0257699698,0.0257699698,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:La-Pd-Si,11.0,"Invalid WP multiplicities - A3B4C4_oI22_71_af_2ef_e2f:La-Pd-Si, expected La(SiPd)2 to be La3(SiPd)4" +mp-1223099,LaCeSi2,-6.0569857,-0.6270526200000001,0.0410153856,0.0410153856,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Ce-La-Si,8.0,ABC2_oP8_26_a_b_ab:Ce-La-Si +mp-1213852,Ce2Si5Pd3,-6.2306737045,-0.7774323155,0.0,-0.0244606378,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Pd-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Pd-Si +mp-3826,Ce(SiPd)2,-6.310407662,-0.8817098950000001,0.0,-0.0615684595,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Pd-Si +mp-1222952,LaCe(SiPd)4,-6.221457943,-0.892468381,0.004168944,0.004168944,GGA,P4/mmm,ABC4D4_tP10_123_a_d_i_gh:Ce-La-Pd-Si,10.0,"Invalid WP multiplicities - ABC4D4_tP10_123_a_d_i_g2h:Ce-La-Pd-Si, expected LaCe(Si3Pd2)2 to be LaCe(SiPd)4" +mp-1211246,LaSiPd,-6.1392189629,-0.9588166479,0.0,-0.0840533246,GGA,P2_1/c,ABC_mP24_14_2e_2e_2e:La-Pd-Si,24.0,ABC_mP24_14_2e_2e_2e:La-Pd-Si +mp-4954,La(SiPd)2,-6.140846112,-0.911564755,0.0,-0.1088415087,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Pd-Si,5.0,AB2C2_tI10_139_a_d_e:La-Pd-Si +mp-1181683,CeSiPd2,-6.2889205762,-0.8593778750000001,0.0151641146,0.0151641146,GGA,Pnma,AB2C_oP16_62_c_d_c:Ce-Pd-Si,16.0,AB2C_oP16_62_c_d_c:Ce-Pd-Si +mp-1193751,Ce2(Si2Pd7)3,-5.9985948248,-0.7159877731000001,0.0,-0.0110273947,GGA,Fm-3m,A2B21C6_cF116_225_c_afh_e:Ce-Pd-Si,29.0,A2B21C6_cF116_225_c_afh_e:Ce-Pd-Si +mp-673662,Ce3(Si3Pd10)2,-5.7463908872000005,-0.4378111684,0.346265849,0.3096927271,GGA,P-1,A3B20C6_aP29_2_ai_10i_3i:Ce-Pd-Si,29.0,"Invalid WP multiplicities - A3B20C6_aP29_2_a2i_19i_5i:Ce-Pd-Si, expected Ce5(Si5Pd19)2 to be Ce3(Si3Pd10)2" +mp-1182504,Ce3(Si3Pd10)2,-5.8299056048,-0.5213258860000001,0.2627511314,0.2261780095,GGA,P-1,A3B20C6_aP29_2_ai_10i_3i:Ce-Pd-Si,29.0,"Invalid WP multiplicities - A3B20C6_aP29_2_a2i_19i_5i:Ce-Pd-Si, expected Ce5(Si5Pd19)2 to be Ce3(Si3Pd10)2" +mp-662609,Ce3(Si3Pd10)2,-5.9043100693,-0.5957303505,0.1883466669,0.1517735451,GGA,Fm-3m,A3B20C6_cF116_225_ac_fi_e:Ce-Pd-Si,29.0,"Invalid WP multiplicities - A3B20C6_cF116_225_ac_6f7i_e:Ce-Pd-Si, expected Ce(SiPd22)2 to be Ce3(Si3Pd10)2" +mp-1192814,Ce3(Si3Pd10)2,-6.0926567362,-0.7840770174,0.0,-0.0365731218,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Ce-Pd-Si,29.0,A3B20C6_cF116_225_ac_fh_e:Ce-Pd-Si +mp-5239,NdSiRu,-7.2458495783,-0.7565602442,0.0,-0.0353487887,GGA,P4/nmm,ABC_tP6_129_c_a_c:Nd-Ru-Si,6.0,ABC_tP6_129_c_a_c:Nd-Ru-Si +mp-1220186,NdFeRu,-7.5797187217,-0.0755283275,0.0471297392,0.0471297392,GGA,Imma,ABC_oI12_74_a_e_c:Fe-Nd-Ru,6.0,ABC_oI12_74_a_e_c:Fe-Nd-Ru +mp-1220608,Nd20(Si3Ru)3,-5.8553707784,-0.4799326991,0.0153869317,0.0153869317,GGA,Amm2,A20B3C9_oC64_38_4cde2f_a2b_adef:Nd-Ru-Si,32.0,"Invalid WP multiplicities - A20B3C9_oC64_38_8c2d2e8f_a2b_a2d2ef:Nd-Ru-Si, expected Nd56Si13Ru3 to be Nd20(Si3Ru)3" +mp-3464,FeSiRu2,-8.4772964325,-0.3662603525,0.0,-0.0594583169,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Fe-Ru-Si +mp-1220277,Nd2FeSi2Ru,-6.98916444,-0.6339386608,0.0188899483,0.0188899483,GGA,P-4m2,AB2CD2_tP6_115_a_g_b_g:Fe-Nd-Ru-Si,6.0,AB2CD2_tP6_115_a_g_b_g:Fe-Nd-Ru-Si +mp-28665,NdSi2Ru,-7.0276313362,-0.8043348281,0.0,-0.0540807642,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Nd-Ru-Si,8.0,ABC2_mP8_11_e_e_2e:Nd-Ru-Si +mp-4013,Nd(SiRu)2,-7.692278428,-0.8587607135,0.0,-0.1593829385,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Ru-Si +mp-1025017,NdSi2Ru3,-7.8636467817,-0.6233149296,0.0923189983,0.0923189983,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Nd-Ru-Si,6.0,AB3C2_hP6_191_a_g_c:Nd-Ru-Si +mp-1069041,NdSi3Ru,-6.714853106,-0.6511522935,0.0004009239,0.0004009239,GGA,I4mm,ABC3_tI10_107_a_a_ab:Nd-Ru-Si,5.0,ABC3_tI10_107_a_a_ab:Nd-Ru-Si +mp-38994,NaAlSi4,-4.12471382,0.3368483872,0.3727374125,0.3727374125,GGA,P4mm,ABC4_tP6_99_a_b_abc:Al-Na-Si,6.0,ABC4_tP6_99_a_b_abc:Al-Na-Si +mp-9680,Na3AlTe3,-3.4306952589,-0.981685346,0.0,-0.0196032304,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-Na-Te,28.0,AB3C3_mP28_14_e_3e_3e:Al-Na-Te +mp-27335,NaAlSi,-3.569584435,-0.0717780505,0.0,-0.0717780505,GGA,P4/nmm,ABC_tP6_129_a_c_c:Al-Na-Si,6.0,ABC_tP6_129_a_c_c:Al-Na-Si +mp-17291,Na3SiTe3,-3.5435414664,-0.8545683821000001,0.0,-0.0013992101,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Na-Si-Te,28.0,A3BC3_mP28_14_3e_e_3e:Na-Si-Te +mp-31220,AlSiTe3,-4.241363495,-0.5212011870000001,0.0,-0.0471778615,GGA,P-31m,ABC3_hP10_162_c_e_k:Al-Si-Te,10.0,ABC3_hP10_162_c_e_k:Al-Si-Te +mp-1232368,NaAlTe2,-3.63379445,-0.7951162225,0.0863218175,0.0710743057,GGA,I-4m2,ABC2_tI8_119_c_a_e:Al-Na-Te,,ABC2_tI8_119_c_a_e:Al-Na-Te +mp-10163,NaAlTe2,-3.7201162675,-0.88143804,0.0,-0.0152475118,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Al-Na-Te,8.0,ABC2_tI16_140_b_a_h:Al-Na-Te +mp-1221314,Na3AlSiTe4,-3.4677767589,-0.6109219463000001,0.2282946278,0.2282946278,GGA,P1,AB3CD4_aP9_1_a_3a_a_4a:Al-Na-Si-Te,9.0,AB3CD4_aP9_1_a_3a_a_4a:Al-Na-Si-Te +mp-1237086,Na3AlSiTe4,-3.4522059178,-0.5953511051,0.2438654689,0.2438654689,GGA,P1,AB3CD4_aP9_1_a_3a_a_4a:Al-Na-Si-Te,9.0,AB3CD4_aP9_1_a_3a_a_4a:Al-Na-Si-Te +mp-569337,Na4Si2Te5,-3.6902556781,-0.7941405235000001,0.0,-0.0323103016,GGA,P2_1/c,A4B2C5_mP88_14_8e_4e_10e:Na-Si-Te,88.0,"Invalid WP multiplicities - A4B2C5_mP88_14_32e_10e_38e:Na-Si-Te, expected Na16Si5Te19 to be Na4Si2Te5" +mp-27252,TlCdI3,-2.4072553725,-0.8661289812,0.0166159608,0.0166159608,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cd-I-Tl,20.0,AB3C_oP20_62_c_3c_c:Cd-I-Tl +mp-28432,Tl3Cd2I7,-2.4891525062,-0.8852130554000001,0.0,-0.0008356954,GGA,Pbam,A2B7C3_oP24_55_g_a2gh_dh:Cd-I-Tl,24.0,A2B7C3_oP24_55_g_a2gh_dh:Cd-I-Tl +mp-570339,Tl4CdI6,-2.6225736032,-0.8758771989,0.014185482,0.014185482,GGA,P4/mnc,AB6C4_tP22_128_a_eh_g:Cd-I-Tl,22.0,"Invalid WP multiplicities - AB6C4_tP22_128_a_3e3h_g:Cd-I-Tl, expected Tl4CdI18 to be Tl4CdI6" +mp-1113920,Na2LiCeCl6,-4.355757381,-2.1979291241,0.1560167755,0.1560167755,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Li-Na +mp-675238,Na3Ce5Cl18,-5.109245845,-2.5359119398,0.0330657542,0.0330657542,GGA,P-6,A5B18C3_hP26_174_agh_jk2l_di:Ce-Cl-Na,26.0,"Invalid WP multiplicities - A5B18C3_hP26_174_a2gh_3j3k6l_di:Ce-Cl-Na, expected Na3Ce7Cl54 to be Na3Ce5Cl18" +mp-1111933,Na3CeCl6,-4.278649602,-2.1794611025,0.169023256,0.169023256,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-Cl-Na,10.0,AB6C3_cF40_225_a_e_bc:Ce-Cl-Na +mp-1209352,Rb5Dy3Br12,-3.971600638,-2.1036320959,0.0124823437,0.0124823437,GGA,P-62m,A12B3C5_hP20_189_2fk_g_cf:Br-Dy-Rb,20.0,A12B3C5_hP20_189_2fk_g_cf:Br-Dy-Rb +mp-567628,Rb2LiDyBr6,-3.946095951,-2.1666011678,0.0,-0.036376506,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Dy-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Dy-Li-Rb +mp-28237,RbLiBr2,-3.468269395,-1.9693909952,0.0048085625,0.0048085625,GGA,Cmcm,A2BC_oC16_63_ac_c_c:Br-Li-Rb,8.0,A2BC_oC16_63_ac_c_c:Br-Li-Rb +mp-29431,LiDy2Br5,-4.1882237481,-1.8272689735,0.1862540073,0.1862540073,GGA,C2/c,A5B2C_mC32_15_e2f_f_c:Br-Dy-Li,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_e3f_f_a:Br-Dy-Li, expected LiDy2Br7 to be LiDy2Br5" +mp-1209279,RbDyBr3,-3.9840355315,-1.934754351,0.1287114978,0.1287114978,GGA,Pnma,A3BC_oP20_62_cd_a_c:Br-Dy-Rb,20.0,A3BC_oP20_62_cd_a_c:Br-Dy-Rb +mp-19942,BaGdAuSe3,-6.7111342917,-1.7516820228,3.87596e-05,3.87596e-05,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Au-Ba-Gd-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Au-Ba-Gd-Se +mp-1112334,Cs2TaAgBr6,-3.99091954,-1.4109887043,0.1407633853,0.1407633853,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Ta +mp-1213736,Cs2LaBr5,-4.154031055,-2.3425368676,0.0,-0.0037988703,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-Cs-La,32.0,A5B2C_oP32_62_3cd_d_c:Br-Cs-La +mp-1213905,Cs3LaBr6,-3.9943425618,-2.3003041416,0.0,-0.0073049918,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Br-Cs-La,40.0,A6B3C_mP40_14_6e_3e_ad:Br-Cs-La +mp-1197970,Cs3LaBr6,-3.9931870692,-2.2991486491,0.0011554925,-0.0061494993,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Br-Cs-La,40.0,A6B3C_mC80_15_6f_3f_ae:Br-Cs-La +mp-569853,CsNb4Br11,-5.1022713553,-1.4532754702,0.0,-0.0066575224,GGA,Pmma,A11BC4_oP32_51_eijkl_f_gi:Br-Cs-Nb,32.0,"Invalid WP multiplicities - A11BC4_oP32_51_2e4i3j4k4l_f_3g3i:Br-Cs-Nb, expected Cs(Nb3Br10)4 to be CsNb4Br11" +mp-1213403,CsLa(NbBr3)6,-5.2264001479,-1.5958713149,0.0,-0.0202727107,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-La-Nb,52.0,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-La-Nb +mp-1183956,CsLa,-2.3456594475,0.570045291,0.570045291,0.570045291,GGA,P6_3mc,AB_hP4_186_b_b:Cs-La,4.0,AB_hP4_186_b_b:Cs-La +mp-1213600,CsLa2Br7,-4.6179010535,-2.4540395643,0.0,-0.0254359428,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Br-Cs-La,40.0,A7BC2_oP40_62_c3d_c_2c:Br-Cs-La +mp-1183949,CsLa3,-3.4054483675,0.5204075543,0.5204075543,0.5204075543,GGA,I4/mmm,AB3_tI8_139_a_bd:Cs-La,4.0,AB3_tI8_139_a_bd:Cs-La +mp-1183932,CsLa3,-3.395455515,0.5304004068,0.5304004068,0.5304004068,GGA,Pm-3m,AB3_cP4_221_a_c:Cs-La,4.0,AB3_cP4_221_a_c:Cs-La +mp-1113966,Rb2NaLuCl6,-4.357652555,-2.4680761632,0.0,-0.0096877405,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Lu-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Lu-Na-Rb +mp-1209613,Rb2LuCl5,-4.5077791403,-2.5421913947,0.0,-0.0115160291,GGA,Pnma,A5BC2_oP32_62_a2cd_c_2c:Cl-Lu-Rb,32.0,A5BC2_oP32_62_a2cd_c_2c:Cl-Lu-Rb +mp-1209449,Rb3LuCl6,-4.360638045,-2.5052607752,0.0,-0.0225331568,GGA,C2/c,A6BC3_mC80_15_6f_ce_3f:Cl-Lu-Rb,40.0,A6BC3_mC80_15_6f_ae_3f:Cl-Lu-Rb +mp-1113997,Rb3LuCl6,-4.309669439,-2.4542921692,0.050968606,0.0284354492,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Lu-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Lu-Rb +mp-29693,Rb2AgCl3,-3.4896174704,-1.7664117824,0.0,-0.0252026354,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-Cl-Rb,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_3c_4c:Ag-Cl-Rb, expected Rb4AgCl3 to be Rb2AgCl3" +mp-998201,RbAgCl3,-3.29261896,-1.4208789488,0.0,-0.149231888,GGA,Pm,AB3C_mP5_6_a_2ab_b:Ag-Cl-Rb,5.0,AB3C_cP5_221_b_c_a:Ag-Cl-Rb +mp-1975771,RbAgCl3,-3.290650806,-1.4189107948,0.001968154,-0.147263734,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-Cl-Rb,5.0,AB3C_cP5_221_b_c_a:Ag-Cl-Rb +mp-1110795,Rb2ScAgCl6,-4.343452415,-2.1217210937,0.0,-0.0304372322,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sc +mp-1209428,Rb3DyCl6,-4.3686440912,-2.5046831895,0.0,-0.038785974,GGA,C2/c,A6BC3_mC80_15_6f_ce_3f:Cl-Dy-Rb,40.0,A6BC3_mC80_15_6f_ae_3f:Cl-Dy-Rb +mp-1110732,Rb3DyCl6,-4.313480518,-2.4495196162,0.0551635732,0.0163775993,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Dy-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Dy-Rb +mp-1111733,Rb2DyAgCl6,-4.229240426,-2.1800773312,0.0068934486,0.0068934486,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Dy-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Dy-Rb +mp-28094,RbDy2Cl7,-5.0003083545,-2.6869219173000003,0.0,-0.0435327566,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:Cl-Dy-Rb,40.0,"Invalid WP multiplicities - A7B2C_oP40_62_c4d_2c_c:Cl-Dy-Rb, expected RbDy2Cl9 to be RbDy2Cl7" +mp-3504,NbNi2Sn,-6.6139991925,-0.1962116287,0.0519208698,0.0519208698,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Nb-Ni-Sn +mp-1219274,ScNb(NiSn)2,-6.5277317467,-0.5255332108,0.0,-0.0972936609,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Nb-Ni-Sc-Sn,6.0,AB2CD2_hR18_160_a_2a_a_2a:Nb-Ni-Sc-Sn +mp-3363,Sc2Ni2Sn,-6.259160797,-0.612204112,0.0,-0.014208468,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ni-Sc-Sn,10.0,A2B2C_tP10_127_g_h_a:Ni-Sc-Sn +mp-11808,ScNi4Sn,-5.98928563,-0.4121876833,0.0,-0.0225145865,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Sc-Sn,6.0,A4BC_cF24_216_e_a_c:Ni-Sc-Sn +mp-5186,ScNiSn,-6.0023950067,-0.6283357933,0.0088846267,-0.0525392777,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sc-Sn,12.0,ABC_oP12_62_c_c_c:Ni-Sc-Sn +mp-1078355,ScNiSn,-6.0112796333,-0.63722042,0.0,-0.0614239043,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Sc-Sn,9.0,ABC_hP9_189_ad_f_g:Ni-Sc-Sn +mp-4536,ScNi2Sn,-6.0272517375,-0.5516731575,0.0,-0.0269691058,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Ni-Sc-Sn +mp-1068300,Ca(FeAs)2,-6.187521512,-0.53474569,0.0,-0.017789841,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Fe,10.0,A2BC2_oF20_69_g_a_f:As-Ca-Fe +mp-22640,CaFe4As3,-6.5797138919,-0.3468339,0.0381844725,0.0381844725,GGA,Pnma,A3BC4_oP32_62_3c_c_4c:As-Ca-Fe,32.0,A3BC4_oP32_62_3c_c_4c:As-Ca-Fe +mp-1105435,CaFe5As3,-6.7735161767,-0.2920649383,0.050173615,0.050173615,GGA,P2_1/m,A3BC5_mP18_11_3e_e_5e:As-Ca-Fe,18.0,A3BC5_mP18_11_3e_e_5e:As-Ca-Fe +mp-4488,Sr(FeAs)2,-6.123797794,-0.5342432573,0.0,-0.022679873,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Fe-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Fe-Sr +mp-1187133,Sr3Fe,-2.8151860475,0.569439345,0.569439345,0.569439345,GGA,P6_3/mmc,AB3_hP8_194_c_h:Fe-Sr,8.0,AB3_hP8_194_c_h:Fe-Sr +mp-1218636,SrCa2(FeAs)6,-6.154657464,-0.5229554038,0.0116228087,0.0116228087,GGA,C2/m,A6B2C6D_mC30_12_3i_i_hj_a:As-Ca-Fe-Sr,15.0,"Invalid WP multiplicities - A6B2C6D_mC30_12_6i_i_2h3j_a:As-Ca-Fe-Sr, expected SrCa2(Fe4As3)4 to be SrCa2(FeAs)6" +mp-1227916,Ca5Fe4(As3Pt)3,-5.6562174317,-0.7012864867,0.0247968606,0.0247968606,GGA,P-1,A9B5C4D3_aP42_2_9i_5i_4i_3i:As-Ca-Fe-Pt,42.0,A9B5C4D3_aP42_2_9i_5i_4i_3i:As-Ca-Fe-Pt +mp-28340,CaAsPt,-5.2646238433,-1.019339975,0.0,-0.1073804208,GGA,I4_1md,ABC_tI36_109_3a_3a_3a:As-Ca-Pt,18.0,"Invalid WP multiplicities - ABC_tI36_109_4a_3a_4a:As-Ca-Pt, expected Ca3(AsPt)4 to be CaAsPt" +mp-1227730,Ca4Fe3As8Pt,-5.4107158894000005,-0.6121819075,0.0905646983,0.0905646983,GGA,P-4m2,A8B4C3D_tP16_115_ef2g_2g_abc_d:As-Ca-Fe-Pt,16.0,"Invalid WP multiplicities - A8B4C3D_tP16_115_ef3g_3g_abc_d:As-Ca-Fe-Pt, expected Ca6Fe3As10Pt to be Ca4Fe3As8Pt" +mp-1112345,Cs3TbCl6,-4.324587973,-2.4834086554,0.0,-0.003051192,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tb +mp-1110815,CsRb2TbCl6,-4.28205159,-2.4238459323,0.079186754,0.079186754,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Tb +mp-1112115,Cs2RbTbCl6,-4.35235325,-2.5026607623,0.0,-0.0125867887,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tb +mp-1213261,CsTb2Cl7,-5.016153922,-2.7057648028,0.0,-0.0621582518,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Tb,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Tb +mp-1209188,RbTb2Cl7,-5.0094510007,-2.6905487115,0.0,-0.0402768422,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Tb,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Tb +mp-1209455,Rb3TbCl6,-4.370123438,-2.5034046102,0.0,-0.0356939976,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Rb-Tb,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Rb-Tb +mp-1110725,Rb3TbCl6,-4.3139299730000005,-2.4472111452,0.056193465,0.0204994674,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Tb +mp-631378,Cs7NbIn3As5,-3.437228565,-0.4422432613,0.0,-0.0199357409,GGA,P-1,A5B7C3D_aP32_2_5i_7i_3i_i:As-Cs-In-Nb,32.0,"Invalid WP multiplicities - A5B7C3D_aP32_2_8i_13i_4i_i:As-Cs-In-Nb, expected Cs13Nb(InAs2)4 to be Cs7NbIn3As5" +mp-582185,Cs12Nb(In2As3)3,-3.2652484009,-0.4335233463,0.0,-0.001325638,GGA,P-1,A9B12C6D_aP56_2_9i_ab11i_6i_i:As-Cs-In-Nb,56.0,"Invalid WP multiplicities - A9B12C6D_aP56_2_18i_ab22i_11i_i:As-Cs-In-Nb, expected Cs23NbIn11As18 to be Cs12Nb(In2As3)3" +mp-1198953,Cs9(NbAs3)2,-3.7436587849,-0.4368386755,0.0,-0.0761170153,GGA,Pbca,A6B9C2_oP136_61_6c_9c_2c:As-Cs-Nb,136.0,A6B9C2_oP136_61_6c_9c_2c:As-Cs-Nb +mp-22506,Cs6InAs3,-2.569639348,-0.3594940303,0.0,-0.0449374554,GGA,P2_1/m,A3B6C_mP20_11_3e_6e_e:As-Cs-In,20.0,A3B6C_mP20_11_3e_6e_e:As-Cs-In +mp-1203378,Cs7(InAs2)3,-2.9685322575,-0.3136836185,0.1018555942,0.1018555942,GGA,P-1,A6B7C3_aP32_2_6i_7i_3i:As-Cs-In,32.0,A6B7C3_aP32_2_6i_7i_3i:As-Cs-In +mp-582182,Cs5In3As4,-3.03284836,-0.4188036375,0.0,-0.0928301057,GGA,P2_1/c,A4B5C3_mP96_14_8e_10e_6e:As-Cs-In,96.0,"Invalid WP multiplicities - A4B5C3_mP96_14_30e_36e_16e:As-Cs-In, expected Cs18In8As15 to be Cs5In3As4" +mp-1201827,Cs13Nb2(In3As5)2,-3.4971349852,-0.4344211998,0.0114405469,0.0114405469,GGA,P-1,A10B13C6D2_aP31_2_5i_a6i_3i_i:As-Cs-In-Nb,31.0,A10B13C6D2_aP31_2_5i_a6i_3i_i:As-Cs-In-Nb +mp-1222877,LaYb(Mo3Se4)4,-7.3981343617,-0.9795343501,0.0348535467,0.0348535467,GGA,P-1,AB12C16D_aP30_2_a_6i_8i_b:La-Mo-Se-Yb,,"Invalid WP multiplicities - AB12C16D_aP30_2_a_12i_15i_b:La-Mo-Se-Yb, expected LaYb(Mo4Se5)6 to be LaYb(Mo3Se4)4" +mp-11784,LaYbSe3,-5.371474536,-1.9788045724,0.193657835,0.193657835,GGA,Cmcm,AB3C_oC20_63_c_cf_a:La-Se-Yb,,AB3C_oC20_63_c_cf_a:La-Se-Yb +mp-37784,La(Mo3Se4)2,-7.5328572727,-1.0010439669,0.0265243616,0.0265243616,GGA,R-3,AB6C8_hR45_148_a_f_cf:La-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_2c3f:La-Mo-Se, expected La(Mo3Se11)2 to be La(Mo3Se4)2" +mp-1103921,Yb(Mo3Se4)2,-7.2650006873,-0.9596139699,0.041359386,0.041359386,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Yb,,A6B8C_hR45_148_f_cf_a:Mo-Se-Yb +mp-530910,La6YbSe10,-6.2046411912,-2.3155373273,0.0,-0.0012394014,GGA,P1,A6B10C_aP68_1_24a_40a_4a:La-Se-Yb,,A6B10C_aP68_1_24a_40a_4a:La-Se-Yb +mp-1335117,La6YbSe10,-6.0175898846,-2.1284860206,0.1870513066,0.1858119052,GGA,P1,A6B10C_aP68_1_24a_40a_4a:La-Se-Yb,,A6B10C_aP68_1_24a_40a_4a:La-Se-Yb +mp-1221681,MnSnTe2,-5.04119502,-0.1766452866,0.2236301384,0.2236301384,GGA,R-3m,ABC2_hR12_166_a_b_c:Mn-Sn-Te,4.0,ABC2_hR12_166_a_b_c:Mn-Sn-Te +mp-28662,Tl2SnTe3,-3.4997746317,-0.4723119936,0.0094094981,0.0094094981,GGA,Pnma,AB3C2_oP48_62_d_2c2d_2d:Sn-Te-Tl,48.0,AB3C2_oP48_62_d_2c2d_2d:Sn-Te-Tl +mp-1192988,Mn2SnTe4,-5.3483994075,-0.3617099771,0.040385428,0.040385428,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Mn-Sn-Te,28.0,A2BC4_oP28_62_ac_c_2cd:Mn-Sn-Te +mp-569859,MnTl2SnTe4,-4.2515073588,-0.442745232,0.0,-0.0001998313,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Mn-Sn-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Mn-Sn-Te-Tl +mp-28843,Tl2SnTe5,-3.5179983419000003,-0.46157489,0.0,-0.0574357515,GGA,I4/mcm,AB5C2_tI32_140_b_dl_ac:Sn-Te-Tl,16.0,AB5C2_tI32_140_b_dl_ac:Sn-Te-Tl +mp-1216727,Tl9SnTe6,-3.2141911669,-0.4558664459,0.0,-0.0038118373,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Sn-Te-Tl,16.0,AB6C9_tI32_87_a_eh_bi:Sn-Te-Tl +mp-3019,Tl4SnTe3,-3.3107367369,-0.4494789717,0.005470229,0.005470229,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Sn-Te-Tl,16.0,"Invalid WP multiplicities - AB3C4_tI32_140_c_a2h_l:Sn-Te-Tl, expected Tl4SnTe5 to be Tl4SnTe3" +mp-36007,Ba(NdSe2)2,-5.8195865186,-2.1854557021,0.0130852941,0.0130852941,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-Nd-Se,14.0,AB2C4_tI28_122_a_d_e:Ba-Nd-Se +mp-984827,BaNd,-3.11227043,0.2312907562,0.2312907562,0.2312907562,GGA,P-6m2,AB_hP2_187_a_d:Ba-Nd,2.0,AB_hP2_187_a_d:Ba-Nd +mp-1183352,Ba3Nd,-2.4371166475,0.1941514156,0.1941514156,0.1941514156,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Nd,4.0,A3B_tI8_139_ad_b:Ba-Nd +mp-1183351,Ba3Nd,-2.4501969925,0.1810710706,0.1810710706,0.1810710706,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-Nd,8.0,A3B_hP8_194_h_c:Ba-Nd +mp-1190093,Ba2NdInSe5,-5.0810874372,-1.8769387227,0.0,-0.0072256869,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Nd-Se,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Nd-Se +mp-999288,PrTlTe2,-4.6462025175,-1.2886623454,0.0,-0.053519725,GGA,R-3m,AB2C_hR12_166_a_c_b:Pr-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Pr-Te-Tl +mp-1219932,Pr2(TlIn)3,-3.5014595213,-0.3883605037,0.0125854725,0.0125854725,GGA,Pmmm,A3B2C3_oP8_47_aj_k_bgh:In-Pr-Tl,8.0,A3B2C3_oP8_47_aj_k_bgh:In-Pr-Tl +mp-1219779,PrTl2InTe4,-3.9537390212,-0.8498516023,0.081819755,0.081819755,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:In-Pr-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:In-Pr-Te-Tl +mp-22791,TlInTe2,-3.424915035,-0.5746803692,0.0,-0.058444552,GGA,I4/mcm,AB2C_tI16_140_b_h_a:In-Te-Tl,8.0,AB2C_tI16_140_b_h_a:In-Te-Tl +mp-1186697,Pr2TlIn,-4.106382395,-0.4373477983,0.0034110625,0.0034110625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pr-Tl,4.0,AB2C_cF16_225_a_c_b:In-Pr-Tl +mp-686354,Cr2CoSe4,-6.1795129607,-0.4083617256,0.3181815483,0.3181815483,GGA,P1,AB2C4_aP56_1_8a_16a_32a:Co-Cr-Se,56.0,AB2C4_aP56_1_8a_16a_32a:Co-Cr-Se +mp-676073,Cr2CoSe4,-6.2554367814,-0.4842855463,0.2422577276,0.2422577276,GGA,P-1,AB2C4_aP7_2_a_i_2i:Co-Cr-Se,7.0,"Invalid WP multiplicities - AB2C4_aP7_2_a_i_3i:Co-Cr-Se, expected Cr2CoSe6 to be Cr2CoSe4" +mp-937728,Cr2CoSe4,-3.9845133043,1.7866379308,2.5131812048,2.5131812048,GGA,P-1,AB2C4_aP7_2_a_i_2i:Co-Cr-Se,7.0,"Invalid WP multiplicities - AB2C4_aP7_2_a_i_3i:Co-Cr-Se, expected Cr2CoSe6 to be Cr2CoSe4" +mp-1399607,Cr2CoSe4,-5.2967980829,0.4743531522,1.2008964262,1.2008964262,GGA,P-1,AB2C4_aP7_2_a_i_2i:Co-Cr-Se,7.0,"Invalid WP multiplicities - AB2C4_aP7_2_a_i_3i:Co-Cr-Se, expected Cr2CoSe6 to be Cr2CoSe4" +mp-1078160,Cr2CoSe4,-6.4581770971,-0.6870258621,0.0395174119,0.0395174119,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Cr-Se,7.0,AB2C4_mC14_12_a_i_2i:Co-Cr-Se +mp-1226097,Cr6Co2CuSe12,-6.3116624538,-0.6838022247000001,0.0514989863,0.0514989863,GGA,C2/m,A2B6CD12_mC42_12_i_3i_a_6i:Co-Cr-Cu-Se,21.0,"Invalid WP multiplicities - A2B6CD12_mC42_12_i_5i_a_10i:Co-Cr-Cu-Se, expected Cr10Co2CuSe20 to be Cr6Co2CuSe12" +mp-1226059,Cr8CoCu3Se16,-6.1809835936,-0.7322371219,0.0140115103,0.0140115103,GGA,P-4m2,AB8C3D16_tP28_115_a_jk_cg_2j2k:Co-Cr-Cu-Se,28.0,"Invalid WP multiplicities - AB8C3D16_tP28_115_a_3j3k_cg_7j8k:Co-Cr-Cu-Se, expected Cr24Co(CuSe20)3 to be Cr8CoCu3Se16" +mp-1226285,Cr10Co4CuSe20,-6.3268579071,-0.6416812756,0.0901167605,0.0901167605,GGA,C2/m,A4B10CD20_mC70_12_2i_5i_a_10i:Co-Cr-Cu-Se,35.0,"Invalid WP multiplicities - A4B10CD20_mC70_12_3i_10i_a_20i:Co-Cr-Cu-Se, expected Cr20Co6CuSe40 to be Cr10Co4CuSe20" +mp-574529,Al(SeCl2)2,-3.9115200257,-1.3212992507,0.0,-0.0215768851,GGA,Pbam,AB4C2_oP56_55_gh_2g2h2i_efgh:Al-Cl-Se,56.0,"Invalid WP multiplicities - AB4C2_oP56_55_3g4h_5g8h13i_4e4f4g3h:Al-Cl-Se, expected Al7(Se5Cl13)3 to be Al(SeCl2)2" +mp-683984,Al(SeCl)4,-3.8234012714,-1.0319158958,0.0,-0.0042387008,GGA,Pca2_1,AB4C4_oP72_29_2a_8a_8a:Al-Cl-Se,72.0,"Invalid WP multiplicities - AB4C4_oP72_29_3a_31a_28a:Al-Cl-Se, expected Al3Se28Cl31 to be Al(SeCl)4" +mp-567734,AlAs3(SeCl)4,-4.2915967329,-1.0332030999,0.0,-0.024081941,GGA,C2/c,AB3C4D4_mC96_15_f_3f_4f_4f:Al-As-Cl-Se,48.0,"Invalid WP multiplicities - AB3C4D4_mC96_15_f_9f_13f_12f:Al-As-Cl-Se, expected AlAs9Se12Cl13 to be AlAs3(SeCl)4" +mp-649130,AlSeCl7,-3.4497373828,-1.2073769464,0.1415471594,0.1300447147,GGA,P1,AB7C_aP18_1_2a_14a_2a:Al-Cl-Se,18.0,AB7C_aP18_1_2a_14a_2a:Al-Cl-Se +mp-1205403,AlSeCl7,-3.5912845422,-1.3489241058,0.0,-0.0115024447,GGA,P1,AB7C_aP18_1_2a_14a_2a:Al-Cl-Se,18.0,AB7C_aP18_1_2a_14a_2a:Al-Cl-Se +mp-1224579,Hf10NiSb5,-8.4208864538,-0.5460718800000001,0.0086678112,0.0086678112,GGA,I422,A10BC5_tI32_97_ck_a_bj:Hf-Ni-Sb,16.0,A10BC5_tI32_97_ck_a_bj:Hf-Ni-Sb +mp-1195404,Hf3NiSb7,-6.3835424891,-0.5149322664,0.0,-0.0061850027,GGA,Pnma,A3BC7_oP44_62_3c_c_7c:Hf-Ni-Sb,44.0,A3BC7_oP44_62_3c_c_7c:Hf-Ni-Sb +mp-15297,Hf6NiSb2,-8.7346377344,-0.5367184744,0.0,-0.0615167872,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Hf-Ni-Sb,9.0,A6BC2_hP9_189_fg_a_d:Hf-Ni-Sb +mp-1205454,Hf2InNi2,-7.351427882,-0.506160852,0.0003180575,-0.09083988,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Hf-In-Ni,10.0,A2BC2_tP10_127_h_a_g:Hf-In-Ni +mp-669575,Hf2InNi2,-7.348594254,-0.5033272240000001,0.0031516855,-0.088006252,GGA,P4_2/mnm,A2BC2_tP20_136_fg_d_j:Hf-In-Ni,20.0,"Invalid WP multiplicities - A2BC2_tP20_136_3f3g_d_j:Hf-In-Ni, expected Hf6InNi2 to be Hf2InNi2" +mp-1185055,Hf2InNi2,-7.3517459395,-0.5064789095,0.0,-0.0911579375,GGA,P4_2/mnm,A2BC2_tP20_136_fg_d_j:Hf-In-Ni,20.0,A2BC2_tP20_136_fg_d_j:Hf-In-Ni +mp-1224729,Hf10(InSb)3,-7.8555445881,-0.3421730125,0.0048012325,0.0048012325,GGA,P-62m,A10B3C3_hP16_189_fgh_f_g:Hf-In-Sb,16.0,A10B3C3_hP16_189_fgh_f_g:Hf-In-Sb +mp-1025451,HfNi2Sb,-6.7413751087,-0.3297592012,0.2463988237,0.2439645517,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Hf-Ni-Sb,8.0,AB2C_hP8_194_a_f_c:Hf-Ni-Sb +mp-1078574,HfNi2Sb,-6.9877739325,-0.576158025,0.0,-0.0024342721,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Hf-Ni-Sb,8.0,AB2C_hP8_194_c_f_a:Hf-Ni-Sb +mp-1212231,HfNiSb,-7.1934863058,-0.5713773225000001,0.0515097887,0.0515097887,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Ni-Sb,12.0,ABC_oP12_62_c_c_c:Hf-Ni-Sb +mp-1206814,HfNiSb,-6.5523039933,0.06980499,0.6926921012,0.6926921012,GGA,F-43m,ABC_cF12_216_a_b_c:Hf-Ni-Sb,3.0,ABC_cF12_216_a_b_c:Hf-Ni-Sb +mp-1212441,Hf3Ni3Sb4,-7.0164324995,-0.6436342905,0.0,-0.0732510099,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Hf-Ni-Sb,20.0,A3B3C4_cI40_220_a_b_c:Hf-Ni-Sb +mp-1188693,Hf5NiSb3,-8.1396796911,-0.5893368522,0.0,-0.0022788728,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Hf-Ni-Sb,18.0,A5BC3_hP18_193_dg_b_g:Hf-Ni-Sb +mp-1224529,HfInNi2,-6.4187667575,-0.3514802275,0.0779907606,0.0779907606,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Hf-In-Ni,4.0,ABC2_tP4_123_a_b_h:Hf-In-Ni +mp-640024,HfInNi2,-6.462118225,-0.394831695,0.0346392931,0.0346392931,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hf-In-Ni,4.0,ABC2_cF16_225_a_b_c:Hf-In-Ni +mp-1223758,In2AgTe3Cl,-3.3942582757,-0.5922043038,0.1249886823,0.1249886823,GGA,P4/mmm,ABC2D3_tP7_123_c_b_g_ah:Ag-Cl-In-Te,7.0,ABC2D3_tP7_123_c_b_g_ah:Ag-Cl-In-Te +mp-1223798,InAgTe2,-3.458595285,-0.490882405,0.006585695,-0.0469380945,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ag-In-Te,4.0,ABC2_tP4_115_a_c_g:Ag-In-Te +mp-22386,InAgTe2,-3.46518098,-0.4974680999999999,0.0,-0.0535237895,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-In-Te,8.0,ABC2_tI16_122_a_b_d:Ag-In-Te +mp-1223782,InAgTe2,-3.338473065,-0.370760185,0.126707915,0.0731841255,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-In-Te,4.0,ABC2_tP4_123_a_d_bc:Ag-In-Te +mp-675371,InAgTe2,-3.1895277562,-0.2218148762,0.2756532238,0.2221294343,GGA,P3m1,ABC2_hP24_156_2a2b2c_2a2b2c_4a4b4c:Ag-In-Te,24.0,ABC2_hP24_156_2a2b2c_2a2b2c_4a4b4c:Ag-In-Te +mp-1223792,InAgTe2,-3.3478776675,-0.3801647875,0.1173033125,0.063779523,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-In-Te,4.0,ABC2_hR12_166_a_b_c:Ag-In-Te +mp-504630,InTeCl,-3.5913349287000003,-1.010159501,0.0,-0.0316949376,GGA,P2_1/c,ABC_mP24_14_2e_2e_2e:Cl-In-Te,24.0,ABC_mP24_14_2e_2e_2e:Cl-In-Te +mp-569467,Ag5Te2Cl,-3.1463010338,-0.3590599759,0.000421714,-0.0236987326,GGA,P2_1/c,A5BC2_mP128_14_20e_4e_8e:Ag-Cl-Te,128.0,"Invalid WP multiplicities - A5BC2_mP128_14_76e_14e_31e:Ag-Cl-Te, expected Ag76Te31Cl14 to be Ag5Te2Cl" +mp-573465,Ag5Te2Cl,-3.1467227478,-0.3594816899,0.0,-0.0241204466,GGA,Pnma,A5BC2_oP64_62_2c4d_d_2cd:Ag-Cl-Te,64.0,"Invalid WP multiplicities - A5BC2_oP64_62_7c31d_d_7c6d:Ag-Cl-Te, expected Ag69Te19Cl2 to be Ag5Te2Cl" +mp-1224268,In5AgTe8,-3.5286559207,-0.5474115064,0.0,-0.0071554214,GGA,C2,AB5C8_mC28_5_a_a2bc_4c:Ag-In-Te,14.0,"Invalid WP multiplicities - AB5C8_mC28_5_a_a2bc_8c:Ag-In-Te, expected In5AgTe16 to be In5AgTe8" +mp-569813,In5AgTe8,-3.527720585,-0.5464761707,0.0009353357,-0.0062200857,GGA,P-42m,AB5C8_tP14_111_a_bm_2n:Ag-In-Te,14.0,"Invalid WP multiplicities - AB5C8_tP14_111_a_b2m_5n:Ag-In-Te, expected In9AgTe20 to be In5AgTe8" +mp-1208445,Tb5CuPb3,-4.7649605733,-0.4972963089,0.0,-0.0009465853,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Pb-Tb,18.0,AB3C5_hP18_193_b_g_dg:Cu-Pb-Tb +mp-601286,TbCuPbSe3,-5.0643744317,-1.2420487195,0.0,-0.007169355,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-Se-Tb,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_8c_c:Cu-Pb-Se-Tb, expected TbCuPbSe8 to be TbCuPbSe3" +mp-20290,TbCuPb,-4.5460494317,-0.397309485,0.0,-0.0499397378,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Pb-Tb,6.0,ABC_hP6_186_b_b_a:Cu-Pb-Tb +mp-676110,Tb14(PbSe8)3,-5.8137602539,-1.9132494716,0.0429496897,0.0429496897,GGA,C2,A3B24C14_mC82_5_ac_12c_7c:Pb-Se-Tb,41.0,"Invalid WP multiplicities - A3B24C14_mC82_5_ac_24c_13c:Pb-Se-Tb, expected Tb26(PbSe16)3 to be Tb14(PbSe8)3" +mp-675130,Tb6PbSe10,-5.8654288065,-1.9549606626,0.0402152546,0.0402152546,GGA,P1,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb,68.0,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb +mp-729727,Tb6PbSe10,-5.166156504,-1.2556883601,0.7394875571,0.7394875571,GGA,P1,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb,68.0,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb +mp-1334909,Tb6PbSe10,-5.6589929485,-1.7485248046,0.2466511125,0.2466511125,GGA,P1,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb,68.0,AB10C6_aP68_1_4a_40a_24a:Pb-Se-Tb +mp-1219602,Rb4InSbCl12,-3.6392753906,-1.8067608806,0.0,-0.0340127869,GGA,P4/mmm,A12BC4D_tP18_123_ghjk_a_i_d:Cl-In-Rb-Sb,18.0,"Invalid WP multiplicities - A12BC4D_tP18_123_2g2h4j4k_a_i_d:Cl-In-Rb-Sb, expected Rb4InSbCl40 to be Rb4InSbCl12" +mp-1114061,Rb2InSbCl6,-3.664376027,-1.6710787195,0.0268389792,0.0268389792,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Sb +mp-1209179,RbSbCl6,-3.5402014369,-1.5151070278,0.0,-0.0847283219,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Rb-Sb,16.0,A6BC_mC32_15_3f_e_a:Cl-Rb-Sb +mp-1207160,Rb2SbCl6,-3.6570241389,-1.7479919894,0.0,-0.0309262025,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Sb,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Sb +mp-1110728,Rb3SbCl6,-3.682578019,-1.8663956772,0.012237117,0.012237117,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Sb +mp-21760,Rb2In2Sb3,-3.2599079245,-0.4239880209,0.0,-0.0698814784,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:In-Rb-Sb,56.0,A2B2C3_mP56_14_4e_4e_6e:In-Rb-Sb +mp-676682,In2AsSe,-3.7699712175,-0.3553718818,0.1320948362,0.1320948362,GGA,I2_12_12_1,AB2C_oI16_24_a_bc_a:As-In-Se,8.0,AB2C_tI16_122_a_d_b:As-In-Se +mp-1223793,In2AsSe,-3.772477355,-0.3578780193,0.1295886987,0.1295886987,GGA,P-4m2,AB2C_tP4_115_a_g_c:As-In-Se,4.0,AB2C_tP4_115_a_g_c:As-In-Se +mp-1173039,In2AsSe,-3.7707032225,-0.3561038868,0.1313628312,0.1313628312,GGA,I-42d,AB2C_tI16_122_a_d_b:As-In-Se,8.0,AB2C_tI16_122_a_d_b:As-In-Se +mp-1224020,In3AsSe3,-3.96907135,-0.6259422031,0.0137185757,0.0137185757,GGA,Cm,AB3C3_mC14_8_a_3a_3a:As-In-Se,7.0,AB3C3_mC14_8_a_3a_3a:As-In-Se +mp-675930,In3AsSe3,-3.96336155,-0.6202324031,0.0194283757,0.0194283757,GGA,Pmn2_1,AB3C3_oP14_31_a_3a_3a:As-In-Se,14.0,"Invalid WP multiplicities - AB3C3_oP14_31_a_4a_4a:As-In-Se, expected In4AsSe4 to be In3AsSe3" +mp-1215418,ZnIn3AsSe4,-3.8474001111,-0.7187824316,0.0034937089,0.0034937089,GGA,P1,AB3C4D_aP9_1_a_3a_4a_a:As-In-Se-Zn,9.0,AB3C4D_aP9_1_a_3a_4a_a:As-In-Se-Zn +mp-685956,In4As3Se,-3.8572784413,-0.2972782397,0.0607863831,0.0607863831,GGA,I-42m,A3B4C_tI16_121_ad_i_b:As-In-Se,8.0,A3B4C_tI16_121_ad_i_b:As-In-Se +mp-505198,CsCu4Se3,-4.0075484412,-0.5350530056,0.0037753634,0.0037753634,GGA,P4/mmm,AB4C3_tP8_123_a_i_bh:Cs-Cu-Se,8.0,AB4C3_tP8_123_a_i_bh:Cs-Cu-Se +mp-9856,Cs2ZrSe3,-5.08679525,-1.6157552821,0.0,-0.1912706433,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-Se-Zr,12.0,A2B3C_oC24_63_g_ce_c:Cs-Se-Zr +mp-28467,Cs2Cu5Se4,-3.9347166891,-0.6373999614,0.0,-0.0086794117,GGA,Cmcm,A2B5C4_oC44_63_ac_c2f_2cf:Cs-Cu-Se,22.0,A2B5C4_oC44_63_ac_c2f_2cf:Cs-Cu-Se +mp-1188128,Cs3(Cu4Se3)2,-3.9357859624,-0.6148842363,0.0037686674,0.0037686674,GGA,C2/m,A3B8C6_mC34_12_ai_4i_3i:Cs-Cu-Se,17.0,A3B8C6_mC34_12_ai_4i_3i:Cs-Cu-Se +mp-7152,CsZrCuSe3,-5.3623891767,-1.3573818258,0.0,-0.0715366123,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Cu-Se-Zr,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cs-Cu-Se-Zr, expected CsZrCuSe5 to be CsZrCuSe3" +mp-17095,CsCuSe4,-3.9021287854,-0.7390862933,0.0,-0.0246915902,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Cs-Cu-Se,24.0,ABC4_oP24_19_a_a_4a:Cs-Cu-Se +mp-1181558,CsZrCu3Se4,-4.7243310233,-0.7549566986,0.2394008703,0.2394008703,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-Zr,9.0,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-Zr +mp-768674,Cs4Zr3Se14,-5.090476665,-1.3682160905,0.0,-0.056039921,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Cs-Se-Zr,42.0,"Invalid WP multiplicities - A4B14C3_mC84_15_3f_27f_e2f:Cs-Se-Zr, expected Cs6Zr5Se54 to be Cs4Zr3Se14" +mp-961665,MgScGa,-3.94307789,-0.2894628308,0.1381975384,0.1381975384,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Mg-Sc,3.0,ABC_cF12_216_c_a_b:Ga-Mg-Sc +mp-1096472,MgGaCu2,-1.8606659625,1.3460313906,1.5152407888,1.5152407888,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Mg,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Mg +mp-1022050,Mg6GaCu,-2.0938139625,-0.0026910884,0.1031723226,0.1031723226,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-Ga-Mg, expected Mg12GaCu to be Mg6GaCu" +mp-1022086,Mg6GaCu,-2.0959706987,-0.0048478247,0.1010155863,0.1010155863,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-Ga-Mg, expected Mg12GaCu to be Mg6GaCu" +mp-1219296,ScGaCu,-4.964976925,-0.4783863258,0.0,-0.0223486478,GGA,C2/m,ABC_mC12_12_i_i_i:Cu-Ga-Sc,6.0,ABC_mC12_12_i_i_i:Cu-Ga-Sc +mp-1026897,Mg14GaCu,-1.8511026975,-0.0054012355,0.0608707711,0.0608707711,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-Ga-Mg, expected Mg18GaCu to be Mg14GaCu" +mp-1026884,Mg14GaCu,-1.8496221825,-0.0039207205,0.0623512861,0.0623512861,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-Ga-Mg, expected Mg26GaCu to be Mg14GaCu" +mp-862340,Sc2GaCu,-5.416351245,-0.4682910194,0.0,-0.0127260334,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Sc +mp-30910,Mg2Ga5Cu6,-3.4881815413,-0.1853907542,0.0,-0.0512143516,GGA,Pm-3,A6B5C2_cP39_200_ek_bfi_g:Cu-Ga-Mg,39.0,"Invalid WP multiplicities - A6B5C2_cP39_200_e2k_bfi_g:Cu-Ga-Mg, expected Mg2(GaCu2)5 to be Mg2Ga5Cu6" +mp-13570,Mg(ScGa)2,-4.572756528,-0.508474467,0.0,-0.0216274929,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ga-Mg-Sc,10.0,A2BC2_tP10_127_g_a_h:Ga-Mg-Sc +mp-1224683,MgSc8Ga15Cu29,-4.2870774249,-0.20106862,0.0827065804,0.0827065804,GGA,Pm,A29B15CD8_mP53_6_9a10c_a10b2c_a_2a2b2c:Cu-Ga-Mg-Sc,53.0,"Invalid WP multiplicities - A29B15CD8_mP53_6_9a18c_a10b3c_a_2a2b3c:Cu-Ga-Mg-Sc, expected MgSc10Ga17Cu45 to be MgSc8Ga15Cu29" +mp-1095976,Mg2GaCu,-1.2178755775,1.3640901206,1.5149744411,1.5149744411,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Mg,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Mg +mp-1097652,MgScCu2,-2.165967935,1.8668226888,2.07887237,2.07887237,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Mg-Sc,4.0,A2BC_oI8_71_e_a_b:Cu-Mg-Sc +mp-1222023,MgGaCu,-3.0831947483,-0.1740005008,0.0,-0.0074248081,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-Ga-Mg,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-Ga-Mg, expected Mg3(GaCu)2 to be MgGaCu" +mp-1096235,MgSc2Ga,-2.1909604725,2.1323680981,2.5054124478,2.5054124478,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Mg-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Mg-Sc +mp-1185965,MgSc2Ga,-4.6702093725000005,-0.3468808019,0.0261635478,0.0261635478,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Mg-Sc +mp-1219423,Sc2Ga3Cu,-4.8557415783,-0.5476694204,0.0,-0.0199137494,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-Sc,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-Sc +mp-11360,ScGaCu2,-4.7709318175,-0.3811872006,0.0,-0.0223974562,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Sc,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Sc +mp-3566,Ce(SiRu)2,-7.924216614,-0.857710555,0.0,-0.131281377,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Ru-Si +mp-1080057,CeCuSi2,-5.7625239025,-0.5417909313,0.0294643856,0.0294643856,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Cu-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Cu-Si +mp-1206168,CeCuSi2,-5.2517202763,-0.030987305,0.5402680119000001,0.5402680119000001,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Cu-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Cu-Si +mp-1226642,CeCuSi2Ru,-6.636197426,-0.604730541,0.097750477,0.097750477,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Ru-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Ru-Si +mp-30043,CeSi2Ru3,-8.120354575,-0.6858657692,0.0288930267,0.0288930267,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ce-Ru-Si,6.0,AB3C2_hP6_191_a_g_c:Ce-Ru-Si +mp-1025521,CeSi2Ru,-7.30180623,-0.7872742913,0.0,-0.0219820531,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ce-Ru-Si,8.0,ABC2_mP8_11_e_e_2e:Ce-Ru-Si +mp-13120,CeSi3Ru,-7.019979984,-0.723290827,0.0,-0.0618843301,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Ru-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Ru-Si +mp-8653,CeSiRu,-7.6428640017,-0.76526076,0.0,-0.0402523978,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Ru-Si,6.0,ABC_tP6_129_c_a_c:Ce-Ru-Si +mp-1213794,CeCu2Si,-5.2764928712,-0.38728774,0.0284994586,0.0284994586,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ce-Cu-Si,8.0,AB2C_oC16_63_c_2c_c:Ce-Cu-Si +mp-1226885,Ce2CuSi3,-5.9955856083,-0.6220290967000001,0.0,-0.034252515,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ce-Cu-Si,6.0,A2BC3_hP6_187_i_a_bcd:Ce-Cu-Si +mp-5452,Ce(CuSi)2,-5.543679192,-0.547251481,0.0,-0.113818736,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Cu-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Cu-Si +mp-1226620,CeCuSi,-5.6875599067,-0.535021955,0.003409305,-0.0482876365,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Cu-Si,3.0,ABC_hP3_187_b_c_e:Ce-Cu-Si +mp-22740,CeCuSi,-5.6909692117,-0.53843126,0.0,-0.0516969415,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Cu-Si,6.0,ABC_hP6_194_a_c_d:Ce-Cu-Si +mp-19917,ZrSiTe,-6.6220000833,-0.9165585656,0.0,-0.0352888292,GGA,P4/nmm,ABC_tP6_129_a_c_c:Si-Te-Zr,6.0,ABC_tP6_129_a_c_c:Si-Te-Zr +mp-1215465,Zr2SiTe2As,-6.550909515,-0.9731679347,0.0,-0.0113689475,GGA,P-4m2,ABC2D2_tP6_115_a_b_g_g:As-Si-Te-Zr,6.0,ABC2D2_tP6_115_a_b_g_g:As-Si-Te-Zr +mp-1207382,ZrSiAs,-6.9109851158,-0.7002727608,0.0612468992,0.0612468992,GGA,Pnma,ABC_oP12_62_c_c_c:As-Si-Zr,12.0,ABC_oP12_62_c_c_c:As-Si-Zr +mp-1207035,Zr2SiTe2,-5.585428884,0.1760373313,1.232907493,1.232907493,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Si-Te-Zr,5.0,AB2C2_tP5_123_a_g_g:Si-Te-Zr +mp-1025411,CeSi2Rh,-6.9255049525,-0.8884966812,0.0214015681,0.0214015681,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Rh-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Rh-Si +mp-623044,Ce3Si2Rh3,-7.2495396987,-0.9066863069,0.0,-0.0037662197,GGA,Pnma,A3B3C2_oP32_62_cd_cd_d:Ce-Rh-Si,32.0,"Invalid WP multiplicities - A3B3C2_oP32_62_4c4d_4c5d_d:Ce-Rh-Si, expected Ce6SiRh7 to be Ce3Si2Rh3" +mp-1226609,CeCoSi2Rh,-7.119095998,-0.867825822,0.031497408,0.031497408,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Co-Rh-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Co-Rh-Si +mp-1070753,CeCoSi3,-6.527114158,-0.66364195,0.0,-0.0467742376,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Co-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Co-Si +mp-1226614,CeCoSi3,-6.338877356,-0.475405148,0.188236802,0.1414625644,GGA,I-4m2,ABC3_tI10_119_c_a_bf:Ce-Co-Si,5.0,ABC3_tI10_119_c_a_bf:Ce-Co-Si +mp-1102698,Ce3(SiRh)4,-7.2850885209,-1.0162002423,0.0,-0.0260911674,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:Ce-Rh-Si,11.0,A3B4C4_oI22_71_af_ef_ef:Ce-Rh-Si +mp-1189037,Ce2Co3Si5,-6.7701459955,-0.738373811,0.0,-0.0189345773,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Co-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Co-Si +mp-4090,Ce(SiRh)2,-7.364341148,-1.061872957,0.0,-0.0751633438,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Rh-Si +mp-1190081,Ce4SiRh12,-7.6370503371,-0.7235580376,0.0,-0.0209586807,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Ce-Rh-Si,17.0,A4B12C_cI34_229_c_de_a:Ce-Rh-Si +mp-1226886,Ce4(Si3Rh)3,-6.7085045913,-0.792683185,0.0421095494,0.0421095494,GGA,Pmm2,A4B3C9_oP16_25_abcd_abc_2a2b2c3d:Ce-Rh-Si,16.0,A4B3C9_oP16_25_abcd_abc_2a2b2c3d:Ce-Rh-Si +mp-978253,Ce3(SiRh)2,-7.0332606511,-0.8363293275,0.0,-0.0128372581,GGA,Pbcm,A3B2C2_oP28_57_de_e_cd:Ce-Rh-Si,28.0,A3B2C2_oP28_57_de_e_cd:Ce-Rh-Si +mp-1070394,CeSi3Rh,-6.736205532,-0.821535309,0.0,-0.0749866377,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Rh-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Rh-Si +mp-31163,Ce2Si3Rh,-6.7746284883,-0.8568884433,0.0,-0.0546862467,GGA,P6/mmm,A2BC3_hP12_191_af_d_m:Ce-Rh-Si,12.0,A2BC3_hP12_191_af_d_m:Ce-Rh-Si +mp-1191035,Ce2Si3Rh,-6.7703010692,-0.8525610242,0.0043274192,-0.0503588275,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Ce-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Ce-Rh-Si +mp-1226808,Ce2CoSi3,-6.5077267333,-0.6326517008,0.0770882613,0.0770882613,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ce-Co-Si,6.0,A2BC3_hP6_187_i_a_bcd:Ce-Co-Si +mp-20355,Ce2CoSi3,-6.4935489433,-0.6184739108,0.0912660512,0.0912660512,GGA,P6/mmm,A2BC3_hP12_191_af_d_m:Ce-Co-Si,12.0,A2BC3_hP12_191_af_d_m:Ce-Co-Si +mp-1226669,CeCoRh,-7.2882033067,-0.4862983667,0.0289876483,0.0289876483,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Co-Rh,6.0,ABC_oI12_74_e_a_c:Ce-Co-Rh +mp-1193469,CeCo9Si4,-7.0098481439,-0.4663323275,0.0,-0.0173835082,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ce-Co-Si,28.0,AB9C4_tI56_140_a_dkl_l:Ce-Co-Si +mp-1006390,Ce4Si3Rh4,-7.2285408968,-0.9134916068,0.0039849188,0.0039849188,GGA,C2/c,A4B4C3_mC44_15_2f_2f_ef:Ce-Rh-Si,22.0,A4B4C3_mC44_15_2f_2f_ef:Ce-Rh-Si +mp-1188214,Ce2Si5Rh3,-7.045013701,-0.936444494,0.005259639,0.005259639,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Rh-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Rh-Si +mp-31078,CeSiRh2,-7.5184447112,-0.99668898,0.0,-0.0421462187,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ce-Rh-Si,8.0,AB2C_oC16_63_c_2c_c:Ce-Rh-Si +mp-7095,CeCoSi2,-6.72721114,-0.7542003875000001,0.0,-0.0354190265,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Co-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Co-Si +mp-1018660,CeCoSi,-6.80101591,-0.6454409167,0.0,-0.0314629975,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Co-Si,6.0,ABC_tP6_129_c_a_c:Ce-Co-Si +mp-1213768,CeSi2Rh3,-7.494522145,-1.0150806742,0.0,-0.037412547,GGA,Imma,AB3C2_oI24_74_e_ag_i:Ce-Rh-Si,12.0,AB3C2_oI24_74_e_ag_i:Ce-Rh-Si +mp-628614,Ce2Si7Rh15,-7.5424026037,-0.8629016633000001,0.0,-0.0600235536,GGA,Pm-3m,A2B15C7_cP48_221_ac_fij_eg:Ce-Rh-Si,48.0,"Invalid WP multiplicities - A2B15C7_cP48_221_a2c_6f9i12j_3e4g:Ce-Rh-Si, expected Ce7(Si25Rh144)2 to be Ce2Si7Rh15" +mp-1191126,Ce3Co8Si,-6.9811983871,-0.3069377325,0.0054815716,0.0054815716,GGA,P6_3/mmc,A3B8C_hP24_194_cf_adk_b:Ce-Co-Si,24.0,A3B8C_hP24_194_cf_adk_b:Ce-Co-Si +mp-1214094,Ce3Co8Si,-6.9576979763,-0.2834373217,0.0289819824,0.0289819824,GGA,P6_3/mmc,A3B8C_hP24_194_cf_bdk_a:Ce-Co-Si,24.0,A3B8C_hP24_194_cf_bdk_a:Ce-Co-Si +mp-1213785,CeSiRh,-7.11769961,-0.8767945917000001,0.0694558504,0.0694558504,GGA,P2_13,ABC_cP12_198_a_a_a:Ce-Rh-Si,12.0,ABC_cP12_198_a_a_a:Ce-Rh-Si +mp-3437,Ce(CoSi)2,-6.936845664,-0.736773503,0.0,-0.0948411176,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Co-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Co-Si +mp-3995,La(CuSi)2,-5.360855744,-0.563844443,0.0,-0.1606220504,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-La-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-La-Si +mp-1223228,La2CuSi3,-5.675576985,-0.6343811567000001,0.0,-0.0067376746,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Cu-La-Si,6.0,AB2C3_hP6_187_a_i_bcd:Cu-La-Si +mp-1222884,LaAlSi,-5.3557540883,-0.6534537667,0.0,-0.0926887756,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-La-Si,6.0,ABC_tI12_109_a_a_a:Al-La-Si +mp-1070573,LaAl3Cu,-4.534077704,-0.479689451,0.0,-0.0607004067,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-La,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-La +mp-1211155,La3(Al2Si3)2,-5.2432868292,-0.4477304588,0.0046606104,0.0046606104,GGA,P-3m1,A4B3C6_hP13_164_2d_ac_3d:Al-La-Si,13.0,A4B3C6_hP13_164_2d_ac_3d:Al-La-Si +mp-1225549,LaAl2Cu3,-4.50567642,-0.3848799575,0.0,-0.0238669714,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Al-Cu-La,6.0,A2B3C_oC12_65_e_ah_c:Al-Cu-La +mp-1222888,LaCuSi,-5.3985600467,-0.5783827783000001,0.014150275,-0.0510781258,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-La-Si,3.0,ABC_hP3_187_a_d_e:Cu-La-Si +mp-4835,LaCuSi,-5.4127103217,-0.5925330533000001,0.0,-0.0652284008,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-La-Si,6.0,ABC_hP6_194_c_a_d:Cu-La-Si +mp-1206998,La(AlSi)2,-5.045969052,-0.390410087,0.001662173,0.001662173,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-La-Si,5.0,A2BC2_hP5_164_d_a_d:Al-La-Si +mp-1223260,La(Al5Cu)2,-4.0932076738,-0.2016554627,0.0240900364,0.0240900364,GGA,Fmmm,A10B2C_oF52_69_c2n_e_a:Al-Cu-La,13.0,A10B2C_oF52_69_c2n_e_a:Al-Cu-La +mp-1223301,La2Al3Cu7,-4.4831565133,-0.3328908142,0.0,-0.00035501,GGA,P2/m,A3B7C2_mP12_10_am_cdg2n_n:Al-Cu-La,12.0,"Invalid WP multiplicities - A3B7C2_mP12_10_am_cdg4n_n:Al-Cu-La, expected La2Al3Cu11 to be La2Al3Cu7" +mp-1222974,LaAl4Cu2Si,-4.5204689288,-0.3277137044,0.0432399006,0.0432399006,GGA,Pmm2,A4B2CD_oP8_25_ab2d_bc_c_a:Al-Cu-La-Si,8.0,A4B2CD_oP8_25_ab2d_bc_c_a:Al-Cu-La-Si +mp-1223239,La2Al7Cu,-4.443452883,-0.424427714,0.0020719916,0.0020719916,GGA,P4mm,A7BC2_tP10_99_a2b2c_a_ab:Al-Cu-La,10.0,"Invalid WP multiplicities - A7BC2_tP10_99_a2b4c_a_ab:Al-Cu-La, expected La2Al11Cu to be La2Al7Cu" +mp-1222898,LaAlCu4,-4.4599265867,-0.2801916508,0.0,-0.0085583144,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Cu-La,6.0,AB4C_oC12_65_a_eh_c:Al-Cu-La +mp-1222921,LaAlCu4,-4.39372407,-0.2139891342,0.0662025167,0.0576442022,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-La,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-La +mp-5330,LaAlSi2,-5.3693294513,-0.4862747025,0.0038156225,0.0038156225,GGA,P-3m1,ABC2_hP8_164_d_c_2d:Al-La-Si,8.0,ABC2_hP8_164_d_c_2d:Al-La-Si +mp-1069204,NdCoSi3,-6.248280694,-0.6177968305,0.0,-0.0378385355,GGA,I4mm,ABC3_tI10_107_a_a_ab:Co-Nd-Si,5.0,ABC3_tI10_107_a_a_ab:Co-Nd-Si +mp-1220405,Nd2Fe3CoSi4,-7.010432209,-0.634837368,0.002028299,0.002028299,GGA,P-4m2,AB3C2D4_tP10_115_a_bcd_g_2g:Co-Fe-Nd-Si,10.0,"Invalid WP multiplicities - AB3C2D4_tP10_115_a_bcd_g_4g:Co-Fe-Nd-Si, expected Nd2Fe3CoSi8 to be Nd2Fe3CoSi4" +mp-1220467,Nd2FeCo17Si8,-6.9633008329,-0.4543628746,0.0070133787,0.0070133787,GGA,Fmmm,A17BC2D8_oF112_69_amn2o_b_f_mn:Co-Fe-Nd-Si,28.0,"Invalid WP multiplicities - A17BC2D8_oF112_69_a2m2n3o_b_f_2m2n:Co-Fe-Nd-Si, expected Nd2FeCo29Si16 to be Nd2FeCo17Si8" +mp-4228,Nd(CoSi)2,-6.700369388,-0.7332855715000001,0.0,-0.1049142565,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Nd-Si +mp-1220564,Nd2Co19Si3,-6.9108131967,-0.2078845692,0.0314820346,0.0314820346,GGA,C2/m,A19B2C3_mC48_12_ci4j_i_be:Co-Nd-Si,24.0,"Invalid WP multiplicities - A19B2C3_mC48_12_ai8j_i_de:Co-Nd-Si, expected Nd2Co35Si3 to be Nd2Co19Si3" +mp-1220282,Nd2CoSi3,-6.0443883667,-0.5576272417,0.1619988983,0.1619988983,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Co-Nd-Si,6.0,AB2C3_hP6_187_a_i_bcd:Co-Nd-Si +mp-17319,NdCo9Si4,-6.9197103404,-0.459404647,0.0,-0.0117015175,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Co-Nd-Si,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_d2k3l_a_l:Co-Nd-Si, expected NdCo21Si4 to be NdCo9Si4" +mp-5170,NdCoSi2,-6.3978435987,-0.7160682769000001,0.0,-0.0319936317,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Nd-Si,8.0,ABC2_oC16_63_c_c_2c:Co-Nd-Si +mp-1220240,Nd5CoSi2,-5.5850444819,-0.3600831047,0.0754240378,0.0754240378,GGA,Fmmm,AB5C2_oF64_69_g_emn_fh:Co-Nd-Si,16.0,"Invalid WP multiplicities - AB5C2_oF64_69_g_e2m2n_fh:Co-Nd-Si, expected Nd9CoSi2 to be Nd5CoSi2" +mp-1220524,Nd2FeCo3Si4,-6.810183546,-0.706929388,0.0,-0.001079696,GGA,P-4m2,A3BC2D4_tP10_115_abc_d_g_2g:Co-Fe-Nd-Si,10.0,"Invalid WP multiplicities - A3BC2D4_tP10_115_abc_d_g_4g:Co-Fe-Nd-Si, expected Nd2FeCo3Si8 to be Nd2FeCo3Si4" +mp-1191853,NdCo9Si2,-6.9034058379,-0.2706022006,0.0349334542,0.0349334542,GGA,I4_1/amd,A9BC2_tI48_141_ai_b_c:Co-Nd-Si,24.0,A9BC2_tI48_141_ai_b_c:Co-Nd-Si +mp-1220157,NdFeCoSi2,-6.917838312,-0.6784138125,0.0,-0.0075304345,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Co-Fe-Nd-Si,5.0,ABCD2_tI10_119_a_b_c_f:Co-Fe-Nd-Si +mp-21890,NdCoSi,-6.427616865,-0.6603557792,0.0,-0.0492844696,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Nd-Si,6.0,ABC_tP6_129_a_c_c:Co-Nd-Si +mp-1220668,Nd12Si5Se28,-5.7410688258,-1.691515921,0.0066775121,0.0066775121,GGA,P1,A12B28C5_aP45_1_12a_28a_5a:Nd-Se-Si,45.0,A12B28C5_aP45_1_12a_28a_5a:Nd-Se-Si +mp-675363,Nd12Si5Se28,-5.7261869922,-1.6766340875,0.0215593456,0.0215593456,GGA,P3,A12B28C5_hP90_143_8d_4a4b16d_4a4b2c:Nd-Se-Si,90.0,"Invalid WP multiplicities - A12B28C5_hP90_143_24d_4a4b48d_4a4b2c:Nd-Se-Si, expected Nd36Si5Se76 to be Nd12Si5Se28" +mp-2877,Nd(CuSi)2,-5.328480752,-0.5650413855,0.0,-0.1942040153,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Nd-Si +mp-3739,NdCuSe2,-5.4390926388,-1.4742983743,0.0,-0.0120268626,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Nd-Se,16.0,ABC2_mP16_14_e_e_2e:Cu-Nd-Se +mp-641534,Nd3CuSiSe7,-5.6574826562,-1.6324537112000002,0.0,-0.0477469018,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Nd-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b7c_b:Cu-Nd-Se-Si, expected Nd3CuSiSe23 to be Nd3CuSiSe7" +mp-36252,Nd5CuSe8,-5.8946402214,-1.9012662462,0.0659994909,0.0659994909,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Cu-Nd-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_5g:Cu-Nd-Se, expected Nd9CuSe20 to be Nd5CuSe8" +mp-1220165,NdCuSi,-5.33215472,-0.5679306758,0.0250274983,-0.0396301413,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Nd-Si,3.0,ABC_hP3_187_a_d_e:Cu-Nd-Si +mp-8120,NdCuSi,-5.3571822183,-0.5929581742000001,0.0,-0.0646576396,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Nd-Si,6.0,ABC_hP6_194_c_a_d:Cu-Nd-Si +mp-1225914,Cu2GeTe3,-4.00658891,-0.2980290975,0.01025042,-0.0123032717,GGA,P1,A2BC3_aP24_1_8a_4a_12a:Cu-Ge-Te,24.0,A2BC3_aP24_1_8a_4a_12a:Cu-Ge-Te +mp-674953,Cu2GeTe3,-4.0109795117,-0.3024196992,0.0058598183,-0.0166938733,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cu-Ge-Te,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_5a:Cu-Ge-Te, expected Cu4GeTe5 to be Cu2GeTe3" +mp-1225891,Cu2GeTe3,-4.0104061117,-0.3018462992,0.0064332183,-0.0161204733,GGA,Fdd2,A2BC3_oF96_43_2ab_b_3b:Cu-Ge-Te,24.0,"Invalid WP multiplicities - A2BC3_oF96_43_3a2b_b_11b:Cu-Ge-Te, expected Cu7(GeTe11)2 to be Cu2GeTe3" +mp-12806,Cu2GeTe3,-4.01683933,-0.3082795175,0.0,-0.0225536917,GGA,Imm2,A2BC3_oI12_44_c_a_bc:Cu-Ge-Te,6.0,A2BC3_oI12_44_c_a_bc:Cu-Ge-Te +mp-1078909,CdCu2GeTe4,-3.6831310262,-0.3934367102,0.0051000887,0.0051000887,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Ge-Te,8.0,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Ge-Te +mp-1245352,Cs2LiLaBr6,-4.031149048,-2.2357585784,0.013841643,0.013841643,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-La-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-La-Li +mp-570340,AgAuCl4,-3.0263166375,-0.7762191969000001,0.0,-0.0515570679,GGA,C2/c,ABC4_mC24_15_e_a_2f:Ag-Au-Cl,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_a_4f:Ag-Au-Cl, expected AgAuCl8 to be AgAuCl4" +mp-1114492,Rb3AuCl6,-3.276765231,-1.5460948133,0.1541204055,0.1541204055,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Cl-Rb,10.0,AB6C3_cF40_225_a_e_bc:Au-Cl-Rb +mp-1111469,Rb2AgAuCl6,-3.291332276,-1.3754596652,0.0301183241,0.0301183241,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Rb +mp-1110791,RbAuCl3,-3.282813208,-1.3228079975,0.0537029373,0.0537029373,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Cl-Rb,5.0,AB3C_cP5_221_b_c_a:Au-Cl-Rb +mp-569442,RbAuCl4,-3.2785374742,-1.3371103554,0.0,-0.1087848596,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-Cl-Rb,12.0,"Invalid WP multiplicities - AB4C_mC24_15_a_5f_e:Au-Cl-Rb, expected RbAuCl10 to be RbAuCl4" +mp-27301,Rb3Au3Cl8,-3.3613641471,-1.3933968973,0.0,-0.0107233075,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-Cl-Rb,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-Cl-Rb +mp-22221,MnCu2Sn,-5.2573218950000005,0.0851782268,0.0968338805,0.0968338805,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Mn-Sn,4.0,A2BC_cF16_225_c_a_b:Cu-Mn-Sn +mp-1221981,MnInCu,-4.9477166983,0.3899185324,0.3930293305,0.3930293305,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-In-Mn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-In-Mn, expected Mn3(InCu)2 to be MnInCu" +mp-1222081,MnInCu,-5.1333783658,0.2042568649,0.207367663,0.207367663,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Cu-In-Mn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Cu-In-Mn, expected Mn2In3Cu2 to be MnInCu" +mp-22673,MnInCu2,-4.9512349625,0.076793128,0.0814593252,0.0814593252,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Mn,4.0,A2BC_cF16_225_c_a_b:Cu-In-Mn +mp-1072398,MnCu4Sn,-4.8778908983,0.0501780728,0.0579485087,0.0579485087,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Mn-Sn,6.0,A4BC_cF24_216_e_a_c:Cu-Mn-Sn +mp-1221859,Mn2InCu4Sn,-5.105969305,0.0792948011,0.0878445764,0.0878445764,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Cu-In-Mn-Sn,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_3c_a_c_b:Cu-In-Mn-Sn, expected Mn2InCu6Sn to be Mn2InCu4Sn" +mp-1102046,MnInCu4,-4.670141555,0.0482793953,0.0519086598,0.0519086598,GGA,P6_3mc,A4BC_hP12_186_ac_b_b:Cu-In-Mn,12.0,A4BC_hP12_186_ac_b_b:Cu-In-Mn +mp-7434,NaCuTe,-3.4727524367,-0.6177398177,0.0093903042,0.0093903042,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cu-Na-Te,6.0,ABC_tP6_129_a_c_c:Cu-Na-Te +mp-1209963,NaLaCuTe4,-4.3519890843,-1.0761372783,0.0,-0.0073652188,GGA,P4/nmm,ABCD4_tP14_129_a_c_c_2cf:Cu-La-Na-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_a_c_c_2c2f:Cu-La-Na-Te, expected NaLaCuTe6 to be NaLaCuTe4" +mp-504928,NaCu3Te2,-3.6664858717,-0.3486930233,0.0571983846,0.0571983846,GGA,R3m,A3BC2_hR18_160_3a_a_2a:Cu-Na-Te,6.0,A3BC2_hR18_160_3a_a_2a:Cu-Na-Te +mp-1186162,NaCu3Te2,-3.6794606567,-0.3616678083,0.0442235996,0.0442235996,GGA,R-3m,A3BC2_hR18_166_ac_b_c:Cu-Na-Te,6.0,A3BC2_hR18_166_ac_b_c:Cu-Na-Te +mp-1223340,La2CuTe4,-5.1955501343,-1.403486641,0.0388026632,0.0388026632,GGA,P2_1,AB2C4_mP14_4_a_2a_4a:Cu-La-Te,14.0,"Invalid WP multiplicities - AB2C4_mP14_4_a_3a_5a:Cu-La-Te, expected La3CuTe5 to be La2CuTe4" +mp-1211109,Na2CuTe2,-1.434840624,1.1713331847,1.923889331,1.923889331,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Cu-Na-Te,5.0,AB2C2_tP5_123_a_g_g:Cu-Na-Te +mp-28968,Nb3Te3As,-7.0699168336,-0.7280666614,0.0,-0.024198215,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:As-Nb-Te,14.0,AB3C3_hP14_176_c_h_h:As-Nb-Te +mp-1220423,Nb6TlTe8,-6.523547516,-0.6490861471,0.0107280728,0.0107280728,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-Te-Tl,15.0,A6B8C_hP15_147_g_dg_a:Nb-Te-Tl +mp-1220812,Nb12Tl(Te3As)4,-6.9041844093,-0.6995482725000001,0.0068224925,0.0068224925,GGA,Cm,A4B12C12D_mC58_8_2ab_6a3b_6a3b_a:As-Nb-Te-Tl,29.0,A4B12C12D_mC58_8_2ab_6a3b_6a3b_a:As-Nb-Te-Tl +mp-1220786,Nb12TlTe16,-6.6764277983,-0.6808692493,0.0,-0.0003989403,GGA,Cm,A12B16C_mC58_8_6a3b_8a4b_a:Nb-Te-Tl,29.0,A12B16C_mC58_8_6a3b_8a4b_a:Nb-Te-Tl +mp-685216,Nb12TlTe16,-6.6707285947,-0.6751700457,0.0056992036,0.0053002633,GGA,P-6,A12B16C_hP58_174_jk3l_abg2hjk3l_i:Nb-Te-Tl,58.0,"Invalid WP multiplicities - A12B16C_hP58_174_3j3k11l_ab2g2h3j3k13l_i:Nb-Te-Tl, expected Nb42TlTe53 to be Nb12TlTe16" +mp-1220809,Nb12TlTe15As,-6.7205231331,-0.6726951872,0.0155093785,0.0155093785,GGA,P-6,AB12C15D_hP29_174_a_jkl_bijkl_c:As-Nb-Te-Tl,29.0,"Invalid WP multiplicities - AB12C15D_hP29_174_a_3j3kl_bi3j3kl_c:As-Nb-Te-Tl, expected Nb24TlTe27As to be Nb12TlTe15As" +mp-1213077,CsTaCl6,-5.0154846894,-2.0349346941,0.0,-0.0791765119,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Cs-Ta,16.0,A6BC_mC32_15_3f_e_a:Cl-Cs-Ta +mp-569885,Cs2TaCl6,-4.8175437044,-2.0686767784,0.0,-0.0137159313,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Ta,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Ta +mp-1213360,CsSrTa6Cl18,-6.0303355029,-1.9147500611,0.0,-0.0100770166,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Sr-Ta,52.0,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Sr-Ta +mp-1080233,CsSrCl3,-4.278201812,-2.6521006509,0.012896944,-0.013359328,GGA,Cm,A3BC_mC10_8_ab_a_a:Cl-Cs-Sr,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Cl-Cs-Sr, expected CsSrCl5 to be CsSrCl3" +mp-1213084,CsSrCl3,-4.291098756,-2.6649975949,0.0,-0.026256272,GGA,Pnma,A3BC_oP20_62_cd_c_a:Cl-Cs-Sr,20.0,A3BC_oP20_62_cd_c_a:Cl-Cs-Sr +mp-1213645,CsSrCl3,-4.281499447,-2.6553982859,0.009599309,-0.016656963,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:Cl-Cs-Sr,10.0,A3BC_tP10_127_bg_c_a:Cl-Cs-Sr +mp-998561,CsSrCl3,-4.287534933,-2.6614337719,0.003563823,-0.022692449,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Cs-Sr,10.0,A3BC_hR30_161_b_a_a:Cl-Cs-Sr +mp-1213642,CsSrCl3,-4.27827622,-2.6521750589,0.012822536,-0.013433736,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Sr,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Sr +mp-569939,AgBi2Se3Cl,-3.9931626871,-0.7289047791000001,0.0040539964,0.0040539964,GGA,P2_1/m,AB2CD3_mP14_11_e_2e_e_3e:Ag-Bi-Cl-Se,14.0,"Invalid WP multiplicities - AB2CD3_mP14_11_e_2e_e_5e:Ag-Bi-Cl-Se, expected AgBi2Se5Cl to be AgBi2Se3Cl" +mp-1200639,Bi2Se5Cl7,-3.6095254323,-0.8880759846,0.008892297,0.008892297,GGA,P2_12_12_1,A2B7C5_oP112_19_4a_14a_10a:Bi-Cl-Se,112.0,A2B7C5_oP112_19_4a_14a_10a:Bi-Cl-Se +mp-1183002,AgBiSe2,-3.3242071925,0.0920098297,0.6069804238000001,0.6069804238000001,GGA,C2/m,ABC2_mC8_12_a_c_i:Ag-Bi-Se,4.0,ABC2_mC8_12_a_d_i:Ag-Bi-Se +mp-1229087,AgBiSe2,-3.81972642,-0.4035093978,0.1114611963,0.1114611963,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Bi-Se,4.0,ABC2_tP4_123_a_d_bc:Ag-Bi-Se +mp-33618,AgBiSe2,-3.8773233488,-0.4611063266,0.0538642675,0.0538642675,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Bi-Se,8.0,ABC2_tI16_141_a_b_e:Ag-Bi-Se +mp-27916,AgBiSe2,-3.927218735,-0.5110017128000001,0.0039688813,0.0039688813,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Bi-Se,4.0,ABC2_hR12_166_a_b_c:Ag-Bi-Se +mp-1228808,Bi11(Se4Cl3)3,-4.1169368021,-0.9659009239,0.0054634645,0.0054634645,GGA,P-1,A11B9C12_aP128_2_22i_ad17i_24i:Bi-Cl-Se,128.0,"Invalid WP multiplicities - A11B9C12_aP128_2_32i_ad25i_36i:Bi-Cl-Se, expected Bi16Se18Cl13 to be Bi11(Se4Cl3)3" +mp-505564,Bi2Se4Cl7,-3.6278412871,-0.9659658417,0.0,-0.0114203008,GGA,P-1,A2B7C4_aP52_2_4i_14i_8i:Bi-Cl-Se,52.0,"Invalid WP multiplicities - A2B7C4_aP52_2_6i_28i_13i:Bi-Cl-Se, expected Bi6Se13Cl28 to be Bi2Se4Cl7" +mp-1207284,Ag(BiSe2)3,-2.565101101,0.9678481249,1.5512632262,1.5512632262,GGA,Cmmm,AB3C6_oC20_65_a_de_kp:Ag-Bi-Se,10.0,AB3C6_oC20_65_a_de_kp:Ag-Bi-Se +mp-29843,Bi2Se2Cl7,-3.6339733057,-1.1237407752,0.00428967,0.00428967,GGA,P4/n,A2B7C2_tP44_85_g_ac3g_g:Bi-Cl-Se,44.0,"Invalid WP multiplicities - A2B7C2_tP44_85_g_ac4g_g:Bi-Cl-Se, expected Bi2Se2Cl9 to be Bi2Se2Cl7" +mp-610491,BiSeCl,-4.08525544,-1.0236096841,0.0,-0.0089980185,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Cl-Se,12.0,ABC_oP12_62_c_c_c:Bi-Cl-Se +mp-1219759,PrSm(Co2Ni3)2,-6.1839756983,-0.1328437692,0.6067229641,0.6067229641,GGA,Pmmm,A4B6CD_oP12_47_ij_ehx_b_c:Co-Ni-Pr-Sm,12.0,"Invalid WP multiplicities - A4B6CD_oP12_47_2ij_ehx_b_c:Co-Ni-Pr-Sm, expected PrSm(CoNi)6 to be PrSm(Co2Ni3)2" +mp-1219681,PrCo3Ni2,-6.3810099883,-0.1033212383,0.0444899482,0.0444899482,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Ni-Pr,6.0,A3B2C_hP6_191_g_c_a:Co-Ni-Pr +mp-1219088,SmCo3Ni2,-6.419827515,-0.1525253683,0.637482995,0.637482995,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Ni-Sm,6.0,A3B2C_hP6_191_g_c_a:Co-Ni-Sm +mp-1219955,Pr2(CoNi)5,-6.2652537867,-0.0982467963,0.0714529124,0.0714529124,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Ni-Pr,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Ni-Pr, expected Pr2Co7Ni5 to be Pr2(CoNi)5" +mp-1219684,PrCoNi,-6.0086035917,-0.1188168483,0.0786901385,0.0786901385,GGA,Imma,ABC_oI12_74_a_c_e:Co-Ni-Pr,6.0,ABC_oI12_74_a_c_e:Co-Ni-Pr +mp-1219076,SmCo2Ni3,-6.1987162017,-0.1527775742,0.9851363016,0.9851363016,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Co-Ni-Sm,6.0,A2B3C_hP6_191_c_g_a:Co-Ni-Sm +mp-1219785,PrSmCo17,-6.9115166816,-0.0514696076,0.0019151337,0.0019151337,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Co-Pr-Sm,19.0,A17BC_hR57_160_2a3bc_a_a:Co-Pr-Sm +mp-1219225,Sm2(CoNi)5,-6.2992294658,-0.1426090788,0.8237849149,0.8237849149,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Ni-Sm,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Ni-Sm, expected Sm2Co7Ni5 to be Sm2(CoNi)5" +mp-1213722,Cs2HoCl5,-4.5300527269,-2.5780656126,0.0,-0.0396056998,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Ho,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Ho +mp-23465,Cs2TeCl6,-3.5017744944,-1.7211822058,0.0,-0.107876844,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Te,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Te +mp-1213367,CsHo2Cl7,-4.9953681773,-2.695370504,0.0,-0.0605795603,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Ho,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Ho +mp-1206492,Cs3HoCl6,-4.322139977,-2.4861563824,0.0272861325,0.0272861325,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Ho,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Ho +mp-1201961,Cs6Ho21Te34Cl,-5.0636976282,-1.6713760551,0.0,-0.0050140151,GGA,C2/m,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Ho-Te,62.0,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Ho-Te +mp-570700,Hf3Tl2(CuSe4)2,-5.922242136,-1.204738233,0.0,-0.002027926,GGA,C2/m,A2B3C8D2_mC30_12_i_ai_4i_i:Cu-Hf-Se-Tl,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_12_i_ai_5i_i:Cu-Hf-Se-Tl, expected Hf3Tl2(CuSe5)2 to be Hf3Tl2(CuSe4)2" +mp-9397,HfTlCuSe3,-5.57284847,-1.0883862567,0.0,-0.0136048601,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cu-Hf-Se-Tl,12.0,ABC3D_oC24_63_c_a_cf_c:Cu-Hf-Se-Tl +mp-1198311,Hf(TlSe)4,-4.6476376676,-0.9374812756,0.0,-0.0357642989,GGA,P-1,AB4C4_aP45_2_a2i_10i_10i:Hf-Se-Tl,45.0,AB4C4_aP45_2_a2i_10i_10i:Hf-Se-Tl +mp-1102545,HfTl2Se3,-5.3203106217,-1.1252756623,0.0,-0.0071630785,GGA,P2_1/m,AB3C2_mP12_11_e_3e_2e:Hf-Se-Tl,12.0,AB3C2_mP12_11_e_3e_2e:Hf-Se-Tl +mp-569786,Er2PbSe4,-5.5766630368,-1.7435586653,0.0253342093,0.0253342093,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Pb-Se,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_12c:Er-Pb-Se, expected Er5PbSe12 to be Er2PbSe4" +mp-16751,ErCuPb,-4.49734823,-0.3708240467,0.0,-0.0515716091,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Er-Pb,6.0,ABC_hP6_186_b_a_b:Cu-Er-Pb +mp-1077463,ErCuPb,-4.4358630883,-0.309338905,0.0614851417,0.0099135326,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Er-Pb,6.0,ABC_hP6_194_c_a_d:Cu-Er-Pb +mp-567983,ErCuPbSe3,-5.0462683829,-1.2350505524,0.0,-0.0033456658,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Er-Pb-Se,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_8c:Cu-Er-Pb-Se, expected ErCuPbSe8 to be ErCuPbSe3" +mp-1213285,Er5CuPb3,-4.7013495339,-0.4707115417,0.0,-0.000132814,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Er-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cu-Er-Pb +mp-675180,ErCuSe2,-5.346183615,-1.4314965062,0.0177404856,0.0177404856,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Er-Se,4.0,ABC2_hP4_156_a_b_ac:Cu-Er-Se +mp-1120806,Ba(SnSe)32,-4.3952647171,-0.6707348465,0.0372286572,0.0372286572,GGA,Cm,AB32C32_mC130_8_a_8a12b_8a12b:Ba-Se-Sn,65.0,"Invalid WP multiplicities - AB32C32_mC130_8_a_8a19b_8a19b:Ba-Se-Sn, expected Ba(SnSe)46 to be Ba(SnSe)32" +mp-1196224,Ba6Sn6Se13,-4.7086236707,-1.4678984715,0.0,-0.012332697,GGA,P2_12_12_1,A6B13C6_oP100_19_6a_13a_6a:Ba-Se-Sn,100.0,A6B13C6_oP100_19_6a_13a_6a:Ba-Se-Sn +mp-1219000,Sn4TeSe3,-4.3149081213,-0.6062421530000001,0.0194602266,0.0194602266,GGA,Pm,A3B4C_mP8_6_a2b_2a2b_a:Se-Sn-Te,8.0,A3B4C_mP8_6_a2b_2a2b_a:Se-Sn-Te +mp-569754,Ba7Sn3Se13,-4.7668440503,-1.6838706001,0.0060499164,0.0060499164,GGA,Pnma,A7B13C3_oP92_62_c3d_3c5d_cd:Ba-Se-Sn,92.0,"Invalid WP multiplicities - A7B13C3_oP92_62_3c20d_11c34d_3c4d:Ba-Se-Sn, expected Ba43Sn11Se79 to be Ba7Sn3Se13" +mp-583630,Ba2SnTe5,-4.1815790238,-1.2360726235,0.0,-0.00589413,GGA,Pnma,A2BC5_oP32_62_d_c_c2d:Ba-Sn-Te,32.0,"Invalid WP multiplicities - A2BC5_oP32_62_d_c_3c15d:Ba-Sn-Te, expected Ba2SnTe33 to be Ba2SnTe5" +mp-1218966,Sn3Te2Se,-4.1787930233,-0.5435865518,0.0107030146,0.0107030146,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Se-Sn-Te,6.0,AB3C2_hP6_164_a_bd_d:Se-Sn-Te +mp-1192595,Ba2SnSe4,-4.7521024407,-1.6333642056,0.0,-0.0099968334,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ba-Se-Sn,28.0,A2B4C_mP28_14_2e_4e_e:Ba-Se-Sn +mp-1200486,Ba2SnSe5,-4.6626775278,-1.4967926374,0.0150066613,-0.0157876511,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ba-Se-Sn,32.0,A2B5C_mP32_14_2e_5e_e:Ba-Se-Sn +mp-31307,Ba2SnSe5,-4.6776841891,-1.5117992987000002,0.0,-0.0307943123,GGA,P2_12_12_1,A2B5C_oP128_19_8a_20a_4a:Ba-Se-Sn,128.0,A2B5C_oP128_19_8a_20a_4a:Ba-Se-Sn +mp-1219035,Sn4Te3Se,-4.03633972,-0.4158251478,0.1241818559,0.1241818559,GGA,R3m,AB4C3_hR24_160_a_4a_3a:Se-Sn-Te,8.0,AB4C3_hR24_160_a_4a_3a:Se-Sn-Te +mp-1214827,Ba7Sn3Te3Se10,-4.6569244377,-1.6199430203,0.0081645076,0.0081645076,GGA,Pnma,A7B10C3D3_oP92_62_c3d_2c4d_cd_cd:Ba-Se-Sn-Te,92.0,A7B10C3D3_oP92_62_c3d_2c4d_cd_cd:Ba-Se-Sn-Te +mp-1112991,Cs3InCl6,-3.666921689,-2.0140106084,0.0207265055,0.0207265055,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-In,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-In +mp-1112125,Cs2RbInCl6,-3.691452628,-2.0300283773,0.0026932145,0.0026932145,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Rb +mp-27172,Cs3In2Cl9,-3.7136747179,-1.9403601096,0.0,-0.089896835,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Cl-Cs-In,28.0,"Invalid WP multiplicities - A9B3C2_hR84_167_e2f_e_c:Cl-Cs-In, expected Cs3In2Cl15 to be Cs3In2Cl9" +mp-1112961,CsInCl3,-3.655730465,-1.8171912486,0.0,-0.0061884797,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Cl-Cs-In,10.0,A3BC_cF40_225_e_c_ab:Cl-Cs-In +mp-1113607,CsRb2InCl6,-3.627910092,-1.9579726713,0.0561235313,0.0561235313,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-In-Rb +mp-1101091,Dy3(In2Co)2,-4.5582491711,-0.2200568344,0.1496875778,0.1485833626,GGA,P-6,A2B3C4_hP9_174_ad_j_ek:Co-Dy-In,9.0,A2B3C4_hP9_174_ad_j_ek:Co-Dy-In +mp-1207275,Dy3(In2Co)2,-4.7079367489,-0.3697444122,0.0,-0.0011042152,GGA,P-6,A2B3C4_hP9_174_ad_k_ej:Co-Dy-In,9.0,A2B3C4_hP9_174_ad_k_ej:Co-Dy-In +mp-1213291,Dy6InCo2,-5.2185338694,-0.2619738294,0.0,-0.0139431431,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-In,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Dy-In +mp-1078142,DyIn5Co,-3.8701177629,-0.2310430079,0.0061518155,0.0061518155,GGA,P4/mmm,ABC5_tP7_123_b_a_ci:Co-Dy-In,7.0,ABC5_tP7_123_b_a_ci:Co-Dy-In +mp-1102863,DyCoGe,-6.1068816325,-0.6608374692,0.0,-0.0339024841,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Dy-Ge,12.0,ABC_oP12_62_c_c_c:Co-Dy-Ge +mp-1095190,DyInCo2,-5.6468588313,-0.2530822913,0.0068182709,0.0068182709,GGA,Pmma,A2BC_oP8_51_af_f_e:Co-Dy-In,8.0,A2BC_oP8_51_af_f_e:Co-Dy-In +mp-1197092,Dy3Co4Ge13,-5.5317985665,-0.4141488757,0.0086243442,0.0086243442,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Dy-Ge,40.0,A4B3C13_cP40_223_e_c_ak:Co-Dy-Ge +mp-641778,Dy7In(CoGe3)4,-5.6337179992,-0.6791847887,0.0,-0.0268618488,GGA,P4/m,A4B7C12D_tP24_83_j_afk_2jk_c:Co-Dy-Ge-In,24.0,"Invalid WP multiplicities - A4B7C12D_tP24_83_j_a2f2k_7j2k_c:Co-Dy-Ge-In, expected Dy13In(CoGe9)4 to be Dy7In(CoGe3)4" +mp-1079307,Dy3(CoGe2)2,-5.8892933933,-0.7193925567,0.0075178122,0.0075178122,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Co-Dy-Ge,9.0,A2B3C4_mC18_12_i_ai_2i:Co-Dy-Ge +mp-1192724,Dy8In3Co,-4.6957111258,-0.3442391504,0.0,-0.0285657592,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Co-Dy-In,24.0,AB8C3_hP24_186_b_ab2c_c:Co-Dy-In +mp-1101087,Dy2CoGe2,-5.86034095,-0.7467515130000001,0.0,-0.0023935025,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Dy-Ge,10.0,AB2C2_mC20_12_i_2i_2i:Co-Dy-Ge +mp-1225553,Dy2CoGe4,-5.6207594271,-0.6473304421,0.0,-0.0076442755,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Co-Dy-Ge,,AB2C4_oC14_38_a_ab_2a2b:Co-Dy-Ge +mp-865105,Dy2Co3Ge5,-5.951177524,-0.58581089,0.0,-0.0240529247,GGA,C2/c,A3B2C5_mC40_15_ef_f_3ef:Co-Dy-Ge,20.0,"Invalid WP multiplicities - A3B2C5_mC40_15_ef_f_3e2f:Co-Dy-Ge, expected Dy2Co3Ge7 to be Dy2Co3Ge5" +mp-1104374,Dy(CoGe)6,-6.1157644238,-0.3469289823,0.0225374869,0.0225374869,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Co-Dy-Ge,13.0,A6BC6_hP13_191_i_a_cde:Co-Dy-Ge +mp-19771,Dy(CoGe)2,-6.226623234,-0.6127276060000001,0.0,-0.0900195188,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Dy-Ge,5.0,A2BC2_tI10_139_d_a_e:Co-Dy-Ge +mp-569877,Dy2InGe2,-4.946883653,-0.704621029,0.000187402,0.000187402,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Dy-Ge-In,10.0,A2B2C_tP10_127_h_g_a:Dy-Ge-In +mp-1024940,DyInCo4,-6.1043387283,-0.1390484367,0.046578643,0.046578643,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Dy-In,6.0,A4BC_cF24_216_e_a_c:Co-Dy-In +mp-1102778,Dy2In8Co,-3.7716494927,-0.2866166459,0.0120701744,0.0120701744,GGA,P4/mmm,AB2C8_tP11_123_a_g_ehi:Co-Dy-In,11.0,AB2C8_tP11_123_a_g_ehi:Co-Dy-In +mp-1206031,Dy2CoGe6,-5.3704490022,-0.474886935,0.0285922978,0.0285922978,GGA,Amm2,AB2C6_oC18_38_a_2b_4a2b:Co-Dy-Ge,9.0,AB2C6_oC18_38_a_2b_4a2b:Co-Dy-Ge +mp-4730,Ga2HgSe4,-3.6796204486,-0.7734035456,0.0,-0.0270866164,GGA,I-4,A2BC4_tI14_82_ac_b_g:Ga-Hg-Se,7.0,A2BC4_tI14_82_ac_b_g:Ga-Hg-Se +mp-1224882,Ga2HgSe4,-3.3767239271,-0.4705070242,0.3028965214,0.275809905,GGA,I-4m2,A2BC4_tI14_119_ac_b_ef:Ga-Hg-Se,7.0,"Invalid WP multiplicities - A2BC4_tI14_119_ac_b_2e2f:Ga-Hg-Se, expected Ga2HgSe8 to be Ga2HgSe4" +mp-1212695,Ga2Hg5Se8,-2.948460466,-0.5790014199,0.0175158233,0.0175158233,GGA,I-4m2,A2B5C8_tI30_119_e_cg_2i:Ga-Hg-Se,15.0,A2B5C8_tI30_119_e_cg_2i:Ga-Hg-Se +mp-1181331,GaCu3HgSe4,-3.62101057,-0.3306725358,0.1742008736,0.1742008736,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ga-Hg-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ga-Hg-Se +mp-1219751,PrTl2InSe4,-4.3678620263,-1.0876718151,0.0939859356,0.0939859356,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:In-Pr-Se-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:In-Pr-Se-Tl +mp-574279,TlIn5Se7,-3.8732934596,-0.7507979104,0.0200208314,0.0200208314,GGA,P2_1/m,A5B7C_mP26_11_5e_7e_e:In-Se-Tl,26.0,"Invalid WP multiplicities - A5B7C_mP26_11_10e_14e_e:In-Se-Tl, expected Tl(In5Se7)2 to be TlIn5Se7" +mp-675519,Tl3In7Se10,-3.7837179805,-0.7182764642,0.0341873668,0.0341873668,GGA,P-1,A7B10C3_aP40_2_7i_10i_3i:In-Se-Tl,40.0,"Invalid WP multiplicities - A7B10C3_aP40_2_14i_19i_4i:In-Se-Tl, expected Tl4In14Se19 to be Tl3In7Se10" +mp-1216779,TlIn5Se8,-3.8975854386,-0.7484173230000001,0.040493408,0.040493408,GGA,C2/m,A5B8C_mC28_12_a2i_4i_d:In-Se-Tl,14.0,A5B8C_mC28_12_a2i_4i_c:In-Se-Tl +mp-999289,PrTlSe2,-5.14056602,-1.6067230558,0.0,-0.0806805216,GGA,R-3m,AB2C_hR12_166_a_c_b:Pr-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Pr-Se-Tl +mp-1216735,Tl5In3Se8,-3.6968062181,-0.6945837966,0.0006549537,0.0006549537,GGA,P-42m,A3B8C5_tP16_111_abc_2n_def:In-Se-Tl,16.0,"Invalid WP multiplicities - A3B8C5_tP16_111_abc_6n_d2e2f:In-Se-Tl, expected Tl3InSe8 to be Tl5In3Se8" +mp-1216567,TlIn3Se4,-3.7867531613,-0.7115856303,0.0398460469,0.0398460469,GGA,I422,A3B4C_tI16_97_ac_j_b:In-Se-Tl,8.0,A3B4C_tI16_97_ac_j_b:In-Se-Tl +mp-1216699,Tl3In5Se8,-3.7845218137,-0.7336693193,0.0203427422,0.0203427422,GGA,P422,A5B8C3_tP16_89_aef_p_bcd:In-Se-Tl,16.0,"Invalid WP multiplicities - A5B8C3_tP16_89_a2e2f_p_bcd:In-Se-Tl, expected Tl3In9Se8 to be Tl3In5Se8" +mp-22232,TlInSe2,-3.7831299037,-0.7565924458000001,0.0,-0.0342074418,GGA,I4/mcm,AB2C_tI16_140_b_h_a:In-Se-Tl,8.0,AB2C_tI16_140_b_h_a:In-Se-Tl +mp-568517,TlInSe2,-3.4533911988,-0.4268537408,0.329738705,0.2955312632,GGA,I4/mcm,AB2C_tI16_140_a_h_b:In-Se-Tl,8.0,AB2C_tI16_140_a_h_b:In-Se-Tl +mp-686102,Tl3In2Se5,-3.7136271693,-0.7065417404000001,0.000967749,0.000967749,GGA,Aem2,A2B5C3_oC160_39_8c_10c5d_ab2c4d:In-Se-Tl,80.0,"Invalid WP multiplicities - A2B5C3_oC160_39_15c_18c20d_2a2b4c15d:In-Se-Tl, expected Tl38In15Se58 to be Tl3In2Se5" +mp-685385,Tl2In3Se5,-3.7842177548,-0.7382282676,0.0162998708,0.0162998708,GGA,C222,A3B5C2_oC160_21_ef2k4l_gh5i5j4l_8k:In-Se-Tl,80.0,"Invalid WP multiplicities - A3B5C2_oC160_21_2e2f4k15l_2g2h10i10j14l_15k:In-Se-Tl, expected Tl15(In19Se26)2 to be Tl2In3Se5" +mp-21575,Pr3InSe6,-5.6424874415,-1.8355004554,0.0,-0.0083597258,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:In-Pr-Se,40.0,AB3C6_oP40_58_ac_3g_6g:In-Pr-Se +mp-1206785,Nd2GaNi2,-5.29091812,-0.4659852705,0.0,-0.004469432,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Nd-Ni,5.0,AB2C2_oI10_71_a_f_h:Ga-Nd-Ni +mp-1220188,NdGa3Ni,-4.534939844,-0.608425408,0.0,-0.0275467455,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ga-Nd-Ni,,A3BC_tI10_107_ab_a_a:Ga-Nd-Ni +mp-1220163,NdGa3Ni,-4.461892028,-0.535377592,0.073047816,0.0455010705,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-Nd-Ni,5.0,A3BC_tI10_119_af_c_b:Ga-Nd-Ni +mp-11396,NdGa2Ni,-4.7744841738,-0.6233651344000001,0.0,-0.0171306199,GGA,Cmmm,A2BC_oC16_65_acg_h_g:Ga-Nd-Ni,8.0,"Invalid WP multiplicities - A2BC_oC16_65_ac2g_h_g:Ga-Nd-Ni, expected NdGa3Ni to be NdGa2Ni" +mp-1103550,NdGaNi,-5.0816441117,-0.5561840667,0.0,-0.02025219,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Nd-Ni,12.0,ABC_oP12_62_c_c_c:Ga-Nd-Ni +mp-864627,Nd2Ga12Ni,-3.8392531693,-0.395680915,0.0,-0.0080253808,GGA,P4/nbm,A12B2C_tP30_125_2g2m_h_c:Ga-Nd-Ni,30.0,A12B2C_tP30_125_2g2m_h_c:Ga-Nd-Ni +mp-1102540,NdGa4Ni,-4.3293323817000005,-0.5525543479,0.0,-0.0154162433,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Nd-Ni,12.0,A4BC_oC24_63_acf_c_c:Ga-Nd-Ni +mp-1220629,Nd9Ga5Se21,-5.4405364224,-1.6843093357,0.0171770348,0.0171770348,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-Nd-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-Nd-Se, expected Nd24Ga5Se51 to be Nd9Ga5Se21" +mp-1220258,NdGa2Ni3,-5.2136455344,-0.5195206149,0.0,-0.0489204995,GGA,P-62m,A2BC3_hP18_189_fg_ad_gj:Ga-Nd-Ni,18.0,A2BC3_hP18_189_fg_ad_gj:Ga-Nd-Ni +mp-1104426,Nd3Ga10Ni,-4.148904805,-0.5513662905,0.0128971336,0.0128971336,GGA,Pmmm,A10B3C_oP14_47_i2k2l_aj_d:Ga-Nd-Ni,14.0,A10B3C_oP14_47_i2k2l_aj_d:Ga-Nd-Ni +mp-1210207,Nd4Ga18Ni,-3.8634905039,-0.4131229033,0.0442499478,0.0442499478,GGA,I4/mmm,A18B4C_tI46_139_d4e2g_2e_a:Ga-Nd-Ni,23.0,A18B4C_tI46_139_d4e2g_2e_a:Ga-Nd-Ni +mp-1190620,Nd3(GaNi3)2,-5.458425425,-0.4546568411,0.0,-0.0098459895,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Ga-Nd-Ni,22.0,A2B3C6_cI44_229_c_e_h:Ga-Nd-Ni +mp-1220632,Nd4Ga17Ni2,-3.9703669183,-0.400345376,0.0958128002,0.0958128002,GGA,Imm2,A17B4C2_oI46_44_8a9b_4a_ab:Ga-Nd-Ni,23.0,A17B4C2_oI46_44_8a9b_4a_ab:Ga-Nd-Ni +mp-1190815,Nd3GaNiSe7,-5.5582301317,-1.5928921864,0.0287708585,0.0287708585,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Ga-Nd-Ni-Se,24.0,AB3CD7_hP24_173_b_c_a_b2c:Ga-Nd-Ni-Se +mp-8829,CrGaSe3,-5.4955389035,-0.8617633184,0.0,-0.0224757475,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Ga-Se,20.0,ABC3_oP20_62_c_c_3c:Cr-Ga-Se +mp-1226260,CrGa3(FeSe4)2,-5.103874475,-0.5578266337000001,0.2051181295,0.2051181295,GGA,Pm,AB2C3D8_mP14_6_a_ab_a2b_4a4b:Cr-Fe-Ga-Se,14.0,AB2C3D8_mP14_6_a_ab_a2b_4a4b:Cr-Fe-Ga-Se +mp-676814,Cr4(Ga2Se5)3,-5.1580386692,-0.7892611420000001,0.0737789146,0.0737789146,GGA,Cm,A4B6C15_mC50_8_2ab_3b_5a5b:Cr-Ga-Se,25.0,"Invalid WP multiplicities - A4B6C15_mC50_8_2ab_5b_5a10b:Cr-Ga-Se, expected Cr4(Ga2Se5)5 to be Cr4(Ga2Se5)3" +mp-1227222,Cr23Ga26Fe3,-6.279412466,-0.0070922347,0.1117718468,0.1117718468,GGA,P1,A23B3C26_aP52_1_23a_3a_26a:Cr-Fe-Ga,52.0,A23B3C26_aP52_1_23a_3a_26a:Cr-Fe-Ga +mp-1078053,Ga2FeSe4,-4.7908611929,-0.7180241692,0.0472004836,0.0472004836,GGA,P-42m,AB2C4_tP7_111_a_f_n:Fe-Ga-Se,7.0,AB2C4_tP7_111_a_f_n:Fe-Ga-Se +mp-1226233,CrGaFeSe4,-5.6558147586,-0.6365560996,0.1241087739,0.1241087739,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Cr-Fe-Ga-Se,7.0,ABCD4_hR21_160_a_a_a_4a:Cr-Fe-Ga-Se +mp-1226220,CrGaFe2,-7.327585565,0.0777109131,0.1920653198,0.1920653198,GGA,Cmm2,AB2C_oC8_35_a_ab_b:Cr-Fe-Ga,4.0,AB2C_oC8_35_a_ab_b:Cr-Fe-Ga +mp-30570,CrGaFe2,-7.43273068,-0.0274342019,0.0869202048,0.0869202048,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Fe-Ga,4.0,AB2C_cF16_225_a_c_b:Cr-Fe-Ga +mp-1225982,CsGa5(HgSe3)4,-3.4919239273,-0.8009447602,0.0,-0.0161599473,GGA,P1,AB5C4D12_aP22_1_a_5a_4a_12a:Cs-Ga-Hg-Se,22.0,AB5C4D12_aP22_1_a_5a_4a_12a:Cs-Ga-Hg-Se +mp-510283,CsGaSe3,-3.9549631805,-1.072716615,0.0,-0.0531804287,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Cs-Ga-Se,20.0,ABC3_mP20_14_e_e_3e:Cs-Ga-Se +mp-1193337,Cs5Ga3Se7,-3.7903723707,-1.2548603526,0.0,-0.0250762323,GGA,C2/m,A5B3C7_mC60_12_ghij_3i_3i2j:Cs-Ga-Se,30.0,A5B3C7_mC60_12_ghij_3i_3i2j:Cs-Ga-Se +mp-574485,Cs4Ga2Se5,-3.7278746686,-1.2626602212,0.0005032647,0.0005032647,GGA,P-1,A4B2C5_aP22_2_4i_2i_5i:Cs-Ga-Se,22.0,"Invalid WP multiplicities - A4B2C5_aP22_2_6i_2i_8i:Cs-Ga-Se, expected Cs3GaSe4 to be Cs4Ga2Se5" +mp-1106156,Cs2Hg3Se4,-2.6641843339,-0.8102408061,0.0,-0.0990198917,GGA,Ibam,A2B3C4_oI36_72_j_af_k:Cs-Hg-Se,18.0,A2B3C4_oI36_72_j_af_k:Cs-Hg-Se +mp-542448,Cs3GaSe3,-3.5955327104,-1.2809559144,0.0,-0.0305640171,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Ga-Se,28.0,A3BC3_mP28_14_3e_e_3e:Cs-Ga-Se +mp-1093874,Cs2HgSe,-1.7083945900000002,-0.3107954433,0.5959368441,0.5959368441,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-Hg-Se,4.0,A2BC_oI8_71_e_a_b:Cs-Hg-Se +mp-541689,Na7In3Se8,-3.6491372472,-1.1224694658,0.0,-0.0298272056,GGA,P-1,A3B7C8_aP36_2_3i_7i_8i:In-Na-Se,36.0,A3B7C8_aP36_2_3i_7i_8i:In-Na-Se +mp-22473,NaInSe2,-3.7958478675,-1.0293398728,0.0,-0.0213816287,GGA,R-3m,ABC2_hR12_166_a_b_c:In-Na-Se,4.0,ABC2_hR12_166_a_b_c:In-Na-Se +mp-1190429,Na2In2GeSe6,-4.0105687314,-0.9426673888,0.0,-0.0312490935,GGA,Cc,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Na-Se,22.0,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Na-Se +mp-530545,In4GeSe4,-3.9284087446,-0.6380300017,0.0253219171,0.0253219171,GGA,Pa-3,AB4C4_cP72_205_c_cd_cd:Ge-In-Se,72.0,"Invalid WP multiplicities - AB4C4_cP72_205_c_4c5d_4c4d:Ge-In-Se, expected In19GeSe16 to be In4GeSe4" +mp-568811,Gd3CuSnSe7,-7.7988769363,-1.5648331372,0.0093391886,0.0093391886,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Gd-Se-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b9c_b:Cu-Gd-Se-Sn, expected Gd3CuSnSe28 to be Gd3CuSnSe7" +mp-1212701,GdCu5Sn,-5.7659873689,-0.2543120196,0.0013691504,0.0013691504,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Gd-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Gd-Sn +mp-11658,Cu2SnSe3,-4.29788857,-0.5152686320000001,0.0130217022,0.0130217022,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-Se-Sn,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_2a_6a_a:Cu-Se-Sn, expected Cu2SnSe6 to be Cu2SnSe3" +mp-1191849,Cu2SnSe3,-4.2969541913,-0.5143342533,0.013956081,0.013956081,GGA,Cc,A2B3C_mC48_9_4a_6a_2a:Cu-Se-Sn,24.0,A2B3C_mC48_9_4a_6a_2a:Cu-Se-Sn +mp-1200177,Cu2SnSe3,-4.2981226121,-0.5155026741000001,0.0127876602,0.0127876602,GGA,Cc,A2B3C_mC96_9_8a_12a_4a:Cu-Se-Sn,48.0,A2B3C_mC96_9_8a_12a_4a:Cu-Se-Sn +mp-1225953,Cu2SnSe3,-4.29561336,-0.512993422,0.0152969123,0.0152969123,GGA,Fdd2,A2B3C_oF96_43_2ab_3b_b:Cu-Se-Sn,24.0,"Invalid WP multiplicities - A2B3C_oF96_43_3a2b_11b_b:Cu-Se-Sn, expected Cu7(SnSe11)2 to be Cu2SnSe3" +mp-1225786,Cu2SnSe3,-4.29715471,-0.5145347720000001,0.0137555623,0.0137555623,GGA,Imm2,A2B3C_oI12_44_c_ac_b:Cu-Se-Sn,6.0,A2B3C_oI12_44_c_ac_b:Cu-Se-Sn +mp-30580,SrGaCu2,-3.486988495,-0.257987791,0.0,-0.0285481968,GGA,R-3m,A2BC_hR12_166_c_a_b:Cu-Ga-Sr,4.0,A2BC_hR12_166_c_a_b:Cu-Ga-Sr +mp-1100815,ZnCuAs,-3.3441884042,-0.0048321758,0.1035829181,0.1035829181,GGA,Pna2_1,ABC_oP12_33_a_a_a:As-Cu-Zn,12.0,ABC_oP12_33_a_a_a:As-Cu-Zn +mp-1215507,YbZnCuAs2,-3.80578255,-0.5624234760000001,0.0675730629,0.0675730629,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Yb-Zn,,A2BCD_hP5_156_ab_a_c_b:As-Cu-Yb-Zn +mp-10314,Yb(ZnAs)2,-3.366699694,-0.6912332320000001,0.0,-0.190187411,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Yb-Zn,,A2BC2_hP5_164_d_a_d:As-Yb-Zn +mp-542132,YbCuAs2,-4.3569820575,-0.6177191175,0.0,-0.0075201475,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Yb,,A2BC_tP8_129_ac_b_c:As-Cu-Yb +mp-16668,Yb2Cu4As3,-4.3489996569,-0.6319553842,0.0,-0.1213680743,GGA,P-62m,A3B4C2_hP36_189_2fk_agjk_cfg:As-Cu-Yb,,"Invalid WP multiplicities - A3B4C2_hP36_189_3fk_ag2jk_cfg:As-Cu-Yb, expected Yb8Cu22As15 to be Yb2Cu4As3" +mp-1096365,Zn2CoCu,-1.828873365,1.6028795563,1.6850286927,1.6850286927,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cu-Zn,4.0,ABC2_oI8_71_a_b_e:Co-Cu-Zn +mp-1178642,ZnCoCu3Se4,-4.2323230322,-0.3823977738,0.122864179,0.122864179,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Co-Cu-Se-Zn,9.0,AB3C4D_cP9_215_b_c_e_a:Co-Cu-Se-Zn +mp-1215583,Zn4CoSe5,-3.755033897,-0.7923489347,0.0718341377,0.0718341377,GGA,Cm,AB5C4_mC20_8_a_5a_4a:Co-Se-Zn,10.0,AB5C4_mC20_8_a_5a_4a:Co-Se-Zn +mp-1217120,Ti2FeNiSb2,-7.0276814817,-0.6444907478,0.0,-0.1499080983,GGA,R3m,ABC2D2_hR18_160_a_a_2a_2a:Fe-Ni-Sb-Ti,6.0,ABC2D2_hR18_160_a_a_2a_2a:Fe-Ni-Sb-Ti +mp-1224908,FeNiSb6,-5.1523445369,-0.2743238706,0.0,-0.0482904731,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:Fe-Ni-Sb,16.0,ABC6_mC32_12_e_f_2i2j:Fe-Ni-Sb +mp-1217277,Ti4FeNi,-7.9019497796,-0.2632621201,0.0156789003,0.0156789003,GGA,F-43m,ABC4_cF96_216_e_e_efg:Fe-Ni-Ti,24.0,ABC4_cF96_216_e_e_efg:Fe-Ni-Ti +mp-581712,TiNiSb,-6.0358731267,-0.1009964811,0.45656763,0.4100063431,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Sb-Ti,3.0,ABC_cF12_216_a_b_c:Ni-Sb-Ti +mp-20952,TiNiSb,-6.4924407567,-0.5575641111,0.0,-0.0465612869,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Ti,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Ti +mp-10755,TiFeSb,-7.26310601,-0.4316011878,0.0,-0.0303084297,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Sb-Ti,3.0,ABC_cF12_216_c_a_b:Fe-Sb-Ti +mp-1224765,Fe3NiSb8,-5.5599706958,-0.2081198433,0.0137636871,0.0137636871,GGA,P2/m,A3BC8_mP12_10_an_c_2m2n:Fe-Ni-Sb,12.0,"Invalid WP multiplicities - A3BC8_mP12_10_an_c_3m3n:Fe-Ni-Sb, expected Fe3NiSb12 to be Fe3NiSb8" +mp-1217288,Ti10FeSb5,-7.2869021737,-0.5325304502,0.0012366356,0.0012366356,GGA,I422,AB5C10_tI32_97_a_bj_ck:Fe-Sb-Ti,16.0,AB5C10_tI32_97_a_bj_ck:Fe-Sb-Ti +mp-1224810,FeNiSb4,-5.379794295,-0.2521004867,0.0162515678,0.0162515678,GGA,P2/m,ABC4_mP6_10_c_e_mn:Fe-Ni-Sb,6.0,ABC4_mP6_10_a_e_mn:Fe-Ni-Sb +mp-998970,TiFe2Sb,-7.53763625,-0.2965023308,0.02719856,0.02719856,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Sb-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Sb-Ti +mp-1217209,Ti5(FeSb)4,-6.94829027,-0.034940279,0.4140546912,0.4140546912,GGA,R3m,A4B4C5_hR39_160_4a_4a_5a:Fe-Sb-Ti,13.0,A4B4C5_hR39_160_4a_4a_5a:Fe-Sb-Ti +mp-1217260,Ti5(FeSb)4,-7.3492183308,-0.4358683397,0.0131266304,0.0131266304,GGA,R3m,A4B4C5_hR39_160_4a_4a_5a:Fe-Sb-Ti,13.0,A4B4C5_hR39_160_4a_4a_5a:Fe-Sb-Ti +mp-1217622,Ti4(FeSb)5,-6.7573798943,-0.0018741574,0.3867966939,0.3867966939,GGA,R3m,A5B5C4_hR42_160_5a_5a_4a:Fe-Sb-Ti,,A5B5C4_hR42_160_5a_5a_4a:Fe-Sb-Ti +mp-30326,Ti5FeSb2,-7.5077220019,-0.4820365302,0.0223836481,0.0223836481,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Fe-Sb-Ti,16.0,"Invalid WP multiplicities - AB2C5_tI32_140_a_h_b2k:Fe-Sb-Ti, expected Ti9FeSb2 to be Ti5FeSb2" +mp-10261,TiNi2Sb,-6.2988006225,-0.4026089683,0.098220999,0.098220999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sb-Ti,4.0,A2BC_cF16_225_c_a_b:Ni-Sb-Ti +mp-1105859,CsTi5Se8,-6.3536290214,-1.4721894302,0.0,-0.0312230214,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Cs-Se-Ti,14.0,AB8C5_mC28_12_a_4i_c2i:Cs-Se-Ti +mp-16000,Cs5Ti6AgSe27,-4.9942872315,-1.1719249274,0.0,-0.0508328995,GGA,P31c,AB5C27D6_hP78_159_a_2bc_9c_2c:Ag-Cs-Se-Ti,78.0,"Invalid WP multiplicities - AB5C27D6_hP78_159_a_3b2c_14c_3c:Ag-Cs-Se-Ti, expected Cs9Ti9AgSe42 to be Cs5Ti6AgSe27" +mp-1229235,Cs(Ti3Se4)2,-6.5509603653,-1.4685839458,0.0,-0.0370109681,GGA,P-3,AB8C6_hP15_147_a_dg_g:Cs-Se-Ti,15.0,AB8C6_hP15_147_a_dg_g:Cs-Se-Ti +mp-16626,SmAl7Au3,-4.2255587823,-0.5201712418000001,0.0,-0.0356228541,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Sm,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Sm, expected SmAl13Au3 to be SmAl7Au3" +mp-1078787,Sm(AlAu)2,-4.489439722,-0.7379393630000001,0.0,-0.1058304607,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Sm +mp-13466,Sm(SiAu)2,-5.02277144,-0.599374201,0.0,-0.1220610593,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Au-Si-Sm +mp-1208872,SmAl8SiAu4,-4.3182706411,-0.517982155,0.0,-0.0367886194,GGA,I4/mmm,A8B4CD_tI56_139_2m_abeg_e_d:Al-Au-Si-Sm,28.0,A8B4CD_tI56_139_2m_abeg_e_d:Al-Au-Si-Sm +mp-7120,Sm(AlSi)2,-4.9747558640000005,-0.362681093,0.017570259,0.017570259,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Si-Sm,5.0,A2B2C_hP5_164_d_d_a:Al-Si-Sm +mp-1102449,SmAlAu,-4.6762824208,-0.7636010992000001,0.0,-0.0491194696,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Sm,12.0,ABC_oP12_62_c_c_c:Al-Au-Sm +mp-12804,SmAlSi,-5.2635789183,-0.6337522533000001,0.0,-0.0868735581,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Si-Sm,6.0,ABC_tI12_109_a_a_a:Al-Si-Sm +mp-1209154,Sm12Al7Si,-4.7542404563,-0.3408713333,0.0200028827,0.0200028827,GGA,I4/mcm,A7BC12_tI80_140_chl_a_ghm:Al-Si-Sm,40.0,A7BC12_tI80_140_chl_a_ghm:Al-Si-Sm +mp-1096170,TaSiRu2,-5.6890800200000005,3.268895165,3.7635390277,3.7635390277,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Si-Ta,4.0,A2BC_oI8_71_e_a_b:Ru-Si-Ta +mp-1259896,TaSiRu2,-5.692967675,3.26500751,3.7596513727,3.7596513727,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Si-Ta,4.0,A2BC_oI8_71_e_a_b:Ru-Si-Ta +mp-1187251,TaSiRu2,-9.4206803975,-0.4627052125,0.0319386502,0.0319386502,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Si-Ta,4.0,A2BC_cF16_225_c_a_b:Ru-Si-Ta +mp-1215255,ZrTaSi,-8.9428552342,-0.3325898042,0.3293564726,0.3293564726,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Si-Ta-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Si-Ta-Zr, expected Zr3(TaSi)2 to be ZrTaSi" +mp-510274,Zr2Si4Ru3,-8.2504990719,-0.8482900719,0.0,-0.053235259,GGA,C2/c,A3B4C2_mC72_15_3f_2e3f_2f:Ru-Si-Zr,36.0,A3B4C2_mC72_15_3f_2e3f_2f:Ru-Si-Zr +mp-1096738,ZrTaRu2,-6.2784573825,3.4601134525,3.9486688875,3.9486688875,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Ta-Zr,4.0,A2BC_oI8_71_e_a_b:Ru-Ta-Zr +mp-7544,ZrSiRu,-8.66593257,-0.91679217,0.0,-0.1125893292,GGA,P-62m,ABC_hP9_189_f_bc_g:Ru-Si-Zr,9.0,ABC_hP9_189_f_bc_g:Ru-Si-Zr +mp-1189212,TaSiRu,-9.49851108,-0.64601168,0.0,-0.113403042,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Ru-Si-Ta,18.0,ABC_oI36_46_ac_bc_3b:Ru-Si-Ta +mp-1215289,ZrTa(SiRu)2,-9.0870056361,-0.7861857361,0.0,-0.0047838111,GGA,Pm,A2B2CD_mP18_6_6b_2a4b_3a_3a:Ru-Si-Ta-Zr,18.0,A2B2CD_mP18_6_6b_2a4b_3a_3a:Ru-Si-Ta-Zr +mp-1096081,ZrSiRu2,-5.2116753675,2.9187805675,3.6333264475,3.606374695,GGA,Immm,A2BC_oI8_71_e_a_b:Ru-Si-Zr,4.0,A2BC_oI8_71_e_a_b:Ru-Si-Zr +mp-1183042,ZrSiRu2,-8.845001815,-0.71454588,0.0,-0.0269517525,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Si-Zr,4.0,A2BC_cF16_225_c_a_b:Ru-Si-Zr +mp-1226241,CrSiMo,-8.8142542992,-0.1729157625,0.1842699308,0.1842699308,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Cr-Mo-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Cr-Mo-Si, expected Cr2Si2Mo3 to be CrSiMo" +mp-1228922,AlCr6Si,-8.5867859612,-0.2006386262,0.0068507594,0.0068507594,GGA,Pm-3,AB6C_cP8_200_a_f_b:Al-Cr-Si,8.0,AB6C_cP8_200_a_f_b:Al-Cr-Si +mp-505572,Al13(CrSi)4,-5.3593020081,-0.1685425895,0.0067985424,0.0067985424,GGA,F-43m,A13B4C4_cF84_216_afg_e_e:Al-Cr-Si,21.0,A13B4C4_cF84_216_afg_e_e:Al-Cr-Si +mp-1229023,Al3SiMo12,-9.4313207294,-0.2557053019,0.0081040894,0.0081040894,GGA,Pmmm,A3B12C_oP16_47_al_2knpw_b:Al-Mo-Si,16.0,"Invalid WP multiplicities - A3B12C_oP16_47_al_4k2n2p2w_b:Al-Mo-Si, expected Al3SiMo24 to be Al3SiMo12" +mp-1228632,Al3Cr20Si9,-8.1043358456,-0.1941627469,0.1095788885,0.1095788885,GGA,C222,A3B20C9_oC64_21_abc_5l_d2kl:Al-Cr-Si,32.0,"Invalid WP multiplicities - A3B20C9_oC64_21_abc_12l_d3kl:Al-Cr-Si, expected Al3Cr48Si11 to be Al3Cr20Si9" +mp-1228015,AlSiMo,-7.0878291733,-0.41564785,0.0,-0.003695418,GGA,P3_212,ABC_hP9_153_a_a_a:Al-Mo-Si,9.0,ABC_hP9_153_a_a_a:Al-Mo-Si +mp-1214842,Al8Cr4Si3,-5.7901961233,-0.1333460827,0.0794522608,0.0794522608,GGA,P-1,A8B4C3_aP15_2_4i_2i_ai:Al-Cr-Si,15.0,A8B4C3_aP15_2_4i_2i_ai:Al-Cr-Si +mp-1214838,Al9Cr3Si,-5.4175076096,-0.179458155,0.0,-0.0214478503,GGA,P6_3/mmc,A9B3C_hP26_194_hk_h_a:Al-Cr-Si,26.0,A9B3C_hP26_194_hk_h_a:Al-Cr-Si +mp-1228032,AlSiMo6,-9.5641191612,-0.2835198462,0.0,-0.00421687,GGA,Pm-3,AB6C_cP8_200_a_f_b:Al-Mo-Si,8.0,AB6C_cP8_200_a_f_b:Al-Mo-Si +mp-1228924,AlCr3SiMo3,-9.0419514462,-0.2085781212,0.0749230575,0.0749230575,GGA,R3,AB3C3D_hR24_146_a_b_b_a:Al-Cr-Mo-Si,8.0,AB3C3D_hR24_146_a_b_b_a:Al-Cr-Mo-Si +mp-1226248,Cr3Si2Mo3,-9.328190475,-0.284849375,0.0338558438,0.0338558438,GGA,R32,A3B3C2_hR24_155_d_e_c:Cr-Mo-Si,8.0,A3B3C2_hR24_155_d_e_c:Cr-Mo-Si +mp-1228443,Al2Si4Mo3,-7.2819307578,-0.4231114122,0.0200859167,0.0200859167,GGA,C2,A2B3C4_mC18_5_c_ac_2ac:Al-Mo-Si,9.0,A2B3C4_mC18_5_c_ac_2ac:Al-Mo-Si +mp-1228192,Al4Si2Mo3,-6.8277314967,-0.3421881956,0.043173194,0.043173194,GGA,C2,A4B3C2_mC36_5_2a3c_ab2c_2bc:Al-Mo-Si,18.0,A4B3C2_mC36_5_2a3c_ab2c_2bc:Al-Mo-Si +mp-1173723,Na3La5Cl18,-5.0576572354,-2.6760698783,0.0163284744,0.0163284744,GGA,P-6,A18B5C3_hP26_174_jk2l_agh_di:Cl-La-Na,26.0,"Invalid WP multiplicities - A18B5C3_hP26_174_3j3k6l_a2gh_di:Cl-La-Na, expected Na3La7Cl54 to be Na3La5Cl18" +mp-1113840,Na2LiLaCl6,-4.299444458,-2.2413244061,0.176800236,0.176800236,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-La-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-La-Li-Na +mp-504451,Cs3MnCl5,-4.4044381122,-2.0610041446,0.0,-0.0241469711,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Cl-Cs-Mn,18.0,"Invalid WP multiplicities - A5B3C_tI36_140_2cl_2a2h_b:Cl-Cs-Mn, expected Cs6MnCl6 to be Cs3MnCl5" +mp-567499,CsMn4Cl9,-5.494496125,-1.6244751621,0.0001804067,0.0001804067,GGA,I4_1/a,A9BC4_tI56_88_a2f_b_f:Cl-Cs-Mn,28.0,"Invalid WP multiplicities - A9BC4_tI56_88_2a7f_b_f:Cl-Cs-Mn, expected Cs(Mn2Cl15)2 to be CsMn4Cl9" +mp-23336,CsMnCl3,-4.9786138887,-1.8580083598,0.0,-0.0192371518,GGA,R-3m,A3BC_hR45_166_dh_bc_ac:Cl-Cs-Mn,15.0,A3BC_hR45_166_dh_bc_ac:Cl-Cs-Mn +mp-1207560,Zr6MnCl14,-6.1431006645,-2.0322562687,0.0,-0.0192014463,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:Cl-Mn-Zr,42.0,A14BC6_oC84_64_def2g_a_fg:Cl-Mn-Zr +mp-1205772,Cs2MnCl6,-4.3142908889000005,-1.8649531115,0.0,-0.3183376059,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Mn,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Mn +mp-638729,Cs2ZrCl6,-4.7760698044000005,-2.3949892118,0.0,-0.1329478511,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Zr,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Zr +mp-1213469,CsZr6MnCl14,-6.02645572,-2.0617677798,0.0,-0.0194711631,GGA,Cmce,A14BCD6_oC88_64_def2g_a_b_fg:Cl-Cs-Mn-Zr,44.0,A14BCD6_oC88_64_def2g_a_b_fg:Cl-Cs-Mn-Zr +mp-1025252,Cs2MnCl4,-4.5955401414,-1.974544902,0.0139607481,0.0139607481,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:Cl-Cs-Mn,7.0,A4B2C_tI14_139_ce_e_a:Cl-Cs-Mn +mp-1201250,Cs3Zr7MnCl20,-5.6644362148,-2.1595052465,0.0,-0.0009957606,GGA,R-3c,A20B3CD7_hR186_167_c2e2f_d_b_af:Cl-Cs-Mn-Zr,62.0,A20B3CD7_hR186_167_c2e2f_d_b_af:Cl-Cs-Mn-Zr +mp-676361,Li3ErCl6,-4.488635588,-2.350064851,0.0,-0.000291795,GGA,P321,A6BC3_hP30_150_3g_ad_2ef:Cl-Er-Li,30.0,"Invalid WP multiplicities - A6BC3_hP30_150_15g_a2d_5e3f:Cl-Er-Li, expected Li24Er5Cl90 to be Li3ErCl6" +mp-1111446,Cs2LiErCl6,-4.427720129,-2.4918534909,0.0,-0.001555573,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Li +mp-1213802,CeMn2Cu9,-5.0975411267,-0.0017094792,0.0634122076,0.0634122076,GGA,P4/mbm,AB9C2_tP24_127_a_cjk_g:Ce-Cu-Mn,24.0,AB9C2_tP24_127_a_cjk_g:Ce-Cu-Mn +mp-1226752,CeMn10Cu,-8.3715146567,0.0995227388,0.1213880748,0.1213880748,GGA,Cmm2,ABC10_oC48_35_c_d_ab2d3e2f:Ce-Cu-Mn,24.0,"Invalid WP multiplicities - ABC10_oC48_35_c_d_ab2d3e3f:Ce-Cu-Mn, expected CeMn12Cu to be CeMn10Cu" +mp-1226915,Ce2(MnCu3)3,-5.398146165,0.047931279,0.1458170899,0.1458170899,GGA,Cmm2,A2B9C3_oC28_35_ab_a2c2d_a2b:Ce-Cu-Mn,14.0,"Invalid WP multiplicities - A2B9C3_oC28_35_ab_a4c3d_a2b:Ce-Cu-Mn, expected Ce2(MnCu5)3 to be Ce2(MnCu3)3" +mp-1191913,Ce2Mn3Cu9As7,-5.4893975224,-0.305639758,0.0548389636,0.0548389636,GGA,P-6,A7B2C9D3_hP21_174_ajk_cf_2jk_k:As-Ce-Cu-Mn,21.0,A7B2C9D3_hP21_174_ajk_cf_2jk_k:As-Ce-Cu-Mn +mp-1113578,Cs2AgAsBr6,-3.237336977,-1.3772720638,0.0,-0.0188067282,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Cs +mp-2646989,AgAsBr4,-3.0782613125,-0.7942966911,0.04846056,0.04846056,GGA,Imma,ABC4_oI24_74_a_c_hi:Ag-As-Br,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_c_2h3i:Ag-As-Br, expected AgAsBr10 to be AgAsBr4" +mp-1113208,Cs2EuCuCl6,-4.7955422940000005,-2.0717189766,0.5314690709000001,0.5314690709000001,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Eu,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Eu +mp-1111485,Na2TbCuCl6,-4.166803894,-1.9198195623,0.15710924,0.15710924,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tb +mp-1209372,RbEr2Cl7,-4.9815841492,-2.676011318,0.0,-0.0575944736,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:Cl-Er-Rb,40.0,A7B2C_oP40_62_c3d_2c_c:Cl-Er-Rb +mp-1113656,Rb2ErAuCl6,-4.131582536,-2.0421936445,0.1084644877,0.1084644877,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Er-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Er-Rb +mp-1209416,Rb3ErCl6,-4.3664106195,-2.5063565207,0.0,-0.0234037857,GGA,C2/c,A6BC3_mC80_15_6f_ce_3f:Cl-Er-Rb,40.0,A6BC3_mC80_15_6f_ae_3f:Cl-Er-Rb +mp-1110694,Rb3ErCl6,-4.312779995,-2.4527258962,0.0536306245,0.0302268388,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Er-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Er-Rb +mp-974672,Rb3Er,-1.2462108125,0.6311194444,0.6311194444,0.6311194444,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-Rb,8.0,AB3_hP8_194_c_h:Er-Rb +mp-1186839,Rb3Er,-1.237556695,0.6397735619,0.6397735619,0.6397735619,GGA,Pm-3m,AB3_cP4_221_a_c:Er-Rb,4.0,AB3_cP4_221_a_c:Er-Rb +mp-1186838,Rb3Er,-1.244303745,0.6330265119,0.6330265119,0.6330265119,GGA,Fm-3m,AB3_cF16_225_a_bc:Er-Rb,4.0,AB3_cF16_225_a_bc:Er-Rb +mp-1209626,Rb2ErCl5,-4.5139065722,-2.5424727903,0.0062974297,0.0062974297,GGA,Pnma,A5BC2_oP32_62_a2cd_c_2c:Cl-Er-Rb,32.0,A5BC2_oP32_62_a2cd_c_2c:Cl-Er-Rb +mp-17063,BaLaCuTe3,-4.9151452008,-1.517794135,0.0,-0.0086004881,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-La-Te,24.0,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-La-Te +mp-1209500,Rb2NdBr5,-4.0782030156,-2.2664083622,0.0,-0.044391035,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Br-Nd-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Br-Nd-Rb +mp-1209576,RbNd2Br5,-4.3163375053,-2.0310911819,0.0910668224,0.0910668224,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Br-Nd-Rb,32.0,A5B2C_mP32_14_5e_2e_e:Br-Nd-Rb +mp-1186863,Rb3Nd,-1.3266690325,0.60076838,0.60076838,0.60076838,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Rb,4.0,AB3_tI8_139_a_bd:Nd-Rb +mp-974850,Rb3Nd,-1.31488329,0.6125541225000001,0.6125541225000001,0.6125541225000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Nd-Rb,4.0,AB3_cF16_225_a_bc:Nd-Rb +mp-1110807,Rb2NdAgBr6,-3.791753828,-1.9037596719,0.0446201395,0.0446201395,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Nd-Rb +mp-28275,Rb2PrCl5,-4.5541203756,-2.5560382256,0.0,-0.0401532672,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Pr-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Pr-Rb +mp-1112124,Cs2RbPrCl6,-4.338787115,-2.4744406618,0.0303195845,0.0303195845,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Pr-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Pr-Rb +mp-1114630,Rb3PrCl6,-4.297718914,-2.4163461208,0.0774589625,0.0774589625,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Pr-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Pr-Rb +mp-1209859,RbPr2Cl7,-5.0267026455,-2.6784924252,0.0,-0.0012057163,GGA,Pnma,A7B2C_oP80_62_6c4d_2cd_2c:Cl-Pr-Rb,80.0,A7B2C_oP80_62_6c4d_2cd_2c:Cl-Pr-Rb +mp-1112910,Cs2TaCuBr6,-4.053574861,-1.3469789586,0.204773131,0.204773131,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Ta +mp-1111723,Rb2TlAgBr6,-3.012652254,-1.3652085265,1.71579e-05,1.71579e-05,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Tl +mp-1114103,Rb3TlBr6,-3.048582099,-1.5863405646,0.0,-0.0014746293,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Rb-Tl,10.0,A6B3C_cF40_225_e_ac_b:Br-Rb-Tl +mp-998391,RbTlBr3,-3.045796146,-1.4453437042,0.0237139997,0.0237139997,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-Rb-Tl,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-Rb-Tl, expected RbTlBr5 to be RbTlBr3" +mp-998606,RbTlBr3,-3.042998968,-1.4425465262,0.0265111777,0.0265111777,GGA,R3c,A3BC_hR30_161_b_a_a:Br-Rb-Tl,10.0,A3BC_hR30_161_b_a_a:Br-Rb-Tl +mp-1114101,RbTlBr3,-3.04419525,-1.4437428082,0.0253148957,0.0253148957,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Br-Rb-Tl,10.0,A3BC_cF40_225_e_c_ab:Br-Rb-Tl +mp-998154,TlAgBr3,-2.838739506,-0.8678826780000001,0.0434630778,0.0434630778,GGA,Cm,AB3C_mC10_8_a_ab_a:Ag-Br-Tl,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ag-Br-Tl, expected TlAgBr5 to be TlAgBr3" +mp-998608,TlAgBr3,-2.845584166,-0.874727338,0.0366184178,0.0366184178,GGA,R3c,AB3C_hR30_161_a_b_a:Ag-Br-Tl,10.0,AB3C_hR30_161_a_b_a:Ag-Br-Tl +mp-27147,Rb3BiBr6,-3.3905883159,-1.7805621831,0.0,-0.0124790903,GGA,Pnma,AB6C3_oP80_62_ac_2c5d_3d:Bi-Br-Rb,80.0,"Invalid WP multiplicities - AB6C3_oP80_62_ac_2c11d_5d:Bi-Br-Rb, expected Rb5BiBr12 to be Rb3BiBr6" +mp-1114108,Rb3BiBr6,-3.31572028,-1.7056941472,0.0748680359,0.0623889456,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Br-Rb,10.0,AB6C3_cF40_225_a_e_bc:Bi-Br-Rb +mp-1195363,Rb3Bi2Br9,-3.3955874595,-1.6384563561,0.0,-0.0101982938,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Bi-Br-Rb,56.0,A2B9C3_mP56_14_2e_9e_3e:Bi-Br-Rb +mp-1113547,Rb2HgBiBr6,-2.974626257,-1.432285495,0.0726585219,0.0726585219,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Hg-Rb +mp-1105176,RbBi2Br7,-3.364596042,-1.4113249778,0.0186201271,0.0186201271,GGA,P-1,A2B7C_aP20_2_2i_7i_i:Bi-Br-Rb,20.0,A2B7C_aP20_2_2i_7i_i:Bi-Br-Rb +mp-1110799,Na3AsBr6,-3.12874445,-1.3342580235,0.1681205325,0.1681205325,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Br-Na,10.0,AB6C3_cF40_225_a_e_bc:As-Br-Na +mp-1110735,Rb3AsBr6,-3.262643306,-1.5707542457,0.0419742705,0.0419742705,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Br-Rb,10.0,AB6C3_cF40_225_a_e_bc:As-Br-Rb +mp-1114025,Rb2NaAsBr6,-3.293057368,-1.5669691857,0.0089760105,0.0089760105,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Na-Rb +mp-1186059,Na3Mo,-2.666149305,1.0371571926,1.0371571926,1.0371571926,GGA,I4/mmm,AB3_tI8_139_a_bd:Mo-Na,4.0,AB3_tI8_139_a_bd:Mo-Na +mp-1106352,Na3MoCl6,-4.3860942965,-1.7956497015,0.0,-0.0004329067,GGA,P-31c,A6BC3_hP20_163_i_c_af:Cl-Mo-Na,20.0,A6BC3_hP20_163_i_c_af:Cl-Mo-Na +mp-977181,NaMo3,-7.534166785,0.9307021209,0.9307021209,0.9307021209,GGA,Fm-3m,A3B_cF16_225_ac_b:Mo-Na,4.0,A3B_cF16_225_ac_b:Mo-Na +mp-1110678,Rb2NaMoCl6,-4.400925533,-1.8788791822,0.01217497,0.01217497,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Mo-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Mo-Na-Rb +mp-540993,NaMo6Cl13,-5.9399150415,-1.4185449148,0.002206754,0.002206754,GGA,P-1,A13B6C_aP40_2_13i_6i_i:Cl-Mo-Na,40.0,A13B6C_aP40_2_13i_6i_i:Cl-Mo-Na +mp-9322,Rb2Sn2Se5,-4.0421095428,-0.9910240713,0.0,-0.0147239528,GGA,C2/c,A2B5C2_mC36_15_f_e2f_f:Rb-Se-Sn,18.0,A2B5C2_mC36_15_f_e2f_f:Rb-Se-Sn +mp-1224842,GaSnSe2,-4.0439256125,-0.5365529043,0.2114197894,0.2114197894,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Ga-Se-Sn,8.0,AB2C_oP8_26_a_ab_b:Ga-Se-Sn +mp-505750,Rb(SnSe2)2,-4.1595333446,-0.8762013885000001,0.0,-0.0035152373,GGA,P2_1/c,AB4C2_mP56_14_2e_8e_4e:Rb-Se-Sn,56.0,"Invalid WP multiplicities - AB4C2_mP56_14_5e_28e_16e:Rb-Se-Sn, expected Rb5(Sn4Se7)4 to be Rb(SnSe2)2" +mp-9145,Rb2SnSe3,-3.8806310267,-1.1375686212,0.0,-0.0924785554,GGA,P-1,A2B3C_aP12_2_2i_3i_i:Rb-Se-Sn,12.0,A2B3C_aP12_2_2i_3i_i:Rb-Se-Sn +mp-1209628,RbGaSnSe4,-4.13371645,-0.9905953271,0.0,-0.0434559207,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Ga-Rb-Se-Sn,56.0,ABC4D_mP56_14_2e_2e_8e_2e:Ga-Rb-Se-Sn +mp-1222036,Mn4CoNi3Ge4,-6.8728570367,-0.2404486681,0.0078807979,0.0078807979,GGA,Pm,AB4C4D3_mP12_6_a_2a2b_2a2b_a2b:Co-Ge-Mn-Ni,12.0,AB4C4D3_mP12_6_a_2a2b_2a2b_a2b:Co-Ge-Mn-Ni +mp-20007,MnNiGe,-6.7809285083,-0.2592018993,0.0,-0.0330176357,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Ni +mp-583202,MnNiGe,-6.4579743717,0.0637522374,0.3229541367,0.289936501,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ge-Mn-Ni,6.0,ABC_hP6_194_a_c_d:Ge-Mn-Ni +mp-21090,MnNiGe,-6.7506478167,-0.2289212076,0.0302806917,-0.002736944,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ge-Mn-Ni,6.0,ABC_hP6_194_c_a_d:Ge-Mn-Ni +mp-1062162,MnNiGe,-6.67285059,-0.151123981,0.1080779183,0.0750602826,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Mn-Ni,3.0,ABC_cF12_216_a_b_c:Ge-Mn-Ni +mp-1226015,CoNiGe,-6.0210461733,-0.1838853967,0.0432916517,0.0432916517,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Ge-Ni,6.0,ABC_hP6_194_a_c_d:Co-Ge-Ni +mp-1226021,CoNiGe,-6.0324098483,-0.1952490717,0.0319279767,0.0319279767,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Co-Ge-Ni,6.0,ABC_hP6_194_c_d_a:Co-Ge-Ni +mp-1194507,Mn6Ni16Ge7,-6.3173964655,-0.1168628925,0.1301888253,0.1301888253,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:Ge-Mn-Ni,29.0,A7B6C16_cF116_225_ad_e_2f:Ge-Mn-Ni +mp-22029,MnNi2Ge,-6.559999095,-0.2236699682,0.0185442321,0.0185442321,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Ni,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Ni +mp-1197353,Ba4LiGa5Se12,-4.5005618323,-1.469823629,0.0225218682,0.0225218682,GGA,P-42_1c,A4B5CD12_tP44_114_e_ae_b_3e:Ba-Ga-Li-Se,44.0,A4B5CD12_tP44_114_e_ae_b_3e:Ba-Ga-Li-Se +mp-11582,LiGaSe2,-4.1287348069,-1.1465243458,0.0,-0.0722574687,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ga-Li-Se,16.0,ABC2_oP16_33_a_a_2a:Ga-Li-Se +mp-989563,Rb2NaTlCl6,-3.476069876,-1.8023242215,0.008229163,0.008229163,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tl +mp-1209306,Rb6Na4Tl13,-1.9465025261,-0.1252996341,0.0,-0.0057296403,GGA,Im-3,A4B6C13_cI46_204_c_e_ag:Na-Rb-Tl,23.0,A4B6C13_cI46_204_c_e_ag:Na-Rb-Tl +mp-1080405,DySnGe,-5.0400442883,-0.6269154383000001,0.0,-0.0042029533,GGA,Cmcm,ABC_oC12_63_c_c_c:Dy-Ge-Sn,6.0,ABC_oC12_63_c_c_c:Dy-Ge-Sn +mp-1213018,DyFe6(Sn2Ge)2,-6.3956255762,-0.1870673277,0.0182371679,0.0182371679,GGA,P6/mmm,AB6C2D4_hP13_191_a_i_c_de:Dy-Fe-Ge-Sn,13.0,AB6C2D4_hP13_191_a_i_c_de:Dy-Fe-Ge-Sn +mp-1194528,Dy(FeSn)6,-6.2263170535,-0.1121366512,0.0301953027,0.0301953027,GGA,Cmcm,AB6C6_oC52_63_c_deg_4cg:Dy-Fe-Sn,26.0,AB6C6_oC52_63_c_deg_4cg:Dy-Fe-Sn +mp-672392,Dy(FeSn)6,-6.2204610911,-0.1062806888,0.0360512651,0.0360512651,GGA,Cmmm,AB6C6_oC130_65_agh_lm2o2r_5g5hk2o:Dy-Fe-Sn,65.0,"Invalid WP multiplicities - AB6C6_oC130_65_agh_2l3m6o12r_8g10h2k6o:Dy-Fe-Sn, expected Dy5(Fe17Sn8)8 to be Dy(FeSn)6" +mp-20247,Dy(Fe2Ge)2,-7.11102139,-0.2920317629,0.0342447357,0.0342447357,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Dy-Fe-Ge,14.0,AB4C2_tP14_136_a_i_f:Dy-Fe-Ge +mp-21426,Dy(FeGe)2,-6.615364092,-0.456787098,0.0,-0.0300410974,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Fe-Ge,5.0,AB2C2_tI10_139_a_d_e:Dy-Fe-Ge +mp-1226042,Dy4FeSn8,-5.0210555615,-0.4846137608,0.0589997438,0.0589997438,GGA,Pmm2,A4BC8_oP13_25_abcd_a_2a2b2c2d:Dy-Fe-Sn,13.0,A4BC8_oP13_25_abcd_a_2a2b2c2d:Dy-Fe-Sn +mp-1225426,Dy2FeGe4,-5.7465513371,-0.5785932929000001,0.0020750807,0.0020750807,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Dy-Fe-Ge,7.0,A2BC4_oC14_38_ab_a_2a2b:Dy-Fe-Ge +mp-1193865,Dy(FeGe)6,-6.6750557719,-0.2777418312,0.0,-0.0268880053,GGA,Cmcm,AB6C6_oC52_63_c_deg_4cg:Dy-Fe-Ge,26.0,AB6C6_oC52_63_c_deg_4cg:Dy-Fe-Ge +mp-1080645,DyFeGe2,-6.0371302788,-0.4564143388,0.0726368367,0.0726368367,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Dy-Fe-Ge,8.0,ABC2_oC16_63_c_c_2c:Dy-Fe-Ge +mp-1222222,Mn4Ga3Co8Ge,-6.9500584662,-0.2486885006,0.0037961319,0.0037961319,GGA,R-3m,A8B3CD4_hR48_166_4c_ac_b_2c:Co-Ga-Ge-Mn,16.0,"Invalid WP multiplicities - A8B3CD4_hR48_166_8c_a2c_b_3c:Co-Ga-Ge-Mn, expected Mn6Ga5Co16Ge to be Mn4Ga3Co8Ge" +mp-20160,Mn2GaCo,-7.1239446775,-0.0088335771,0.1476112268,0.1476112268,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-Ga-Mn,4.0,ABC2_cF16_216_a_c_bd:Co-Ga-Mn +mp-21171,MnGaCo2,-6.84443342,-0.2427466939,0.0,-0.0888165775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Mn,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Mn +mp-1224805,Ga3Co4Ge,-5.4955272237,-0.2279538359,0.0379052922,0.0379052922,GGA,R3,A4B3C_hR24_146_ab_b_a:Co-Ga-Ge,8.0,A4B3C_hR24_146_ab_b_a:Co-Ga-Ge +mp-1224863,GaCo4Ge3,-5.8966106075,-0.2303042616,0.0032676203,0.0032676203,GGA,R3,A4BC3_hR24_146_ab_a_b:Co-Ga-Ge,8.0,A4BC3_hR24_146_ab_a_b:Co-Ga-Ge +mp-623453,MnGa2Co,-5.6797774925,-0.0981462095,0.1189940825,0.1189940825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Ga-Mn,4.0,AB2C_cF16_225_a_c_b:Co-Ga-Mn +mp-1222096,Mn2GaCo4Ge,-7.0632757763,-0.262222571,0.0,-0.0090342029,GGA,R-3m,A4BCD2_hR24_166_2c_a_b_c:Co-Ga-Ge-Mn,8.0,"Invalid WP multiplicities - A4BCD2_hR24_166_4c_a_b_c:Co-Ga-Ge-Mn, expected Mn2GaCo8Ge to be Mn2GaCo4Ge" +mp-31407,Ba5In4Bi5,-3.5067077943,-0.6635609893000001,0.0013649187,0.0013649187,GGA,P4nc,A5B5C4_tP28_104_ac_ac_c:Ba-Bi-In,28.0,A5B5C4_tP28_104_ac_ac_c:Ba-Bi-In +mp-1105202,Ba2InBiSe5,-4.5775382333,-1.4764626635,0.0,-0.0165309863,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Bi-In-Se,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Bi-In-Se +mp-510460,CsLaZnTe3,-4.12203623,-1.3685244355,0.0,-0.083481188,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-La-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_2c2f_c:Cs-La-Te-Zn, expected CsLaZnTe6 to be CsLaZnTe3" +mp-7557,Nb5SiSn2,-8.3251120081,-0.3312386406,0.0,-0.0094167808,GGA,I4/mcm,A5BC2_tI32_140_bk_a_h:Nb-Si-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_2b3k_a_h:Nb-Si-Sn, expected Nb14SiSn2 to be Nb5SiSn2" +mp-1220364,Nb6SiSn,-8.9839009212,-0.2285609056,0.0709012627,0.0709012627,GGA,Pm-3,A6BC_cP8_200_f_a_b:Nb-Si-Sn,8.0,A6BC_cP8_200_f_a_b:Nb-Si-Sn +mp-1220525,Nb5Si6Mo5,-9.0505029069,-0.4700851613,0.0431883231,0.0431883231,GGA,Cm,A5B5C6_mC32_8_5a_3ab_4ab:Mo-Nb-Si,16.0,A5B5C6_mC32_8_5a_3ab_4ab:Mo-Nb-Si +mp-1220572,Nb3SiSnMo3,-9.2691399475,-0.2346705306,0.0309226852,0.0309226852,GGA,R3,A3B3CD_hR24_146_b_b_a_a:Mo-Nb-Si-Sn,8.0,A3B3CD_hR24_146_b_b_a_a:Mo-Nb-Si-Sn +mp-1220436,NbSi4Mo,-7.56037181,-0.4523339317,0.0477688706,0.0477688706,GGA,P2,ABC4_mP18_3_2bc_2ac_6e:Mo-Nb-Si,18.0,"Invalid WP multiplicities - ABC4_mP18_3_a2b_a2c_12e:Mo-Nb-Si, expected NbSi8Mo to be NbSi4Mo" +mp-1192151,Rb2Zn5As4,-2.7722230586,-0.32710853,0.0,-0.0275677977,GGA,Cmcm,A4B2C5_oC44_63_fg_e_cfg:As-Rb-Zn,22.0,A4B2C5_oC44_63_fg_e_cfg:As-Rb-Zn +mp-975144,RbZn4As3,-2.8006463975,-0.3010384316,0.0,-0.0298938103,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:As-Rb-Zn,8.0,A3BC4_tP8_123_ah_b_i:As-Rb-Zn +mp-1199025,Rb4(ZnAs)7,-2.8295676669,-0.3098915339,0.0305504074,0.0305504074,GGA,Cmcm,A7B4C7_oC72_63_c3f_acf_c3f:As-Rb-Zn,36.0,A7B4C7_oC72_63_c3f_acf_c3f:As-Rb-Zn +mp-1194699,Rb14ZnGe16,-3.0511411908,-0.1816035681,0.0,-0.0051825828,GGA,Pmn2_1,A16B14C_oP62_31_4a6b_2a6b_a:Ge-Rb-Zn,62.0,A16B14C_oP62_31_4a6b_2a6b_a:Ge-Rb-Zn +mp-1215440,ZnGeAs2,-3.9403225975,-0.1400705287,0.0250450688,-0.0228254028,GGA,P-4m2,A2BC_tP4_115_g_a_c:As-Ge-Zn,4.0,A2BC_tP4_115_g_a_c:As-Ge-Zn +mp-4008,ZnGeAs2,-3.9653676663,-0.1651155975,0.0,-0.0478704716,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Ge-Zn,8.0,A2BC_tI16_122_d_a_b:As-Ge-Zn +mp-1215450,ZnGeAs2,-3.907899505,-0.1076474363,0.0574681613,0.0095976897,GGA,R3m,A2BC_hR12_160_2a_a_a:As-Ge-Zn,4.0,A2BC_hR12_160_2a_a_a:As-Ge-Zn +mp-1219647,Rb2Zn3GeAs4,-3.214606712,-0.314626667,0.0,-0.0058135828,GGA,C222,A4BC2D3_oC20_21_l_a_k_bcd:As-Ge-Rb-Zn,10.0,A4BC2D3_oC20_21_l_a_k_bcd:As-Ge-Rb-Zn +mp-11031,CeAl7Au3,-4.3083896705,-0.4925927645,0.0020250368,0.0020250368,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Ce,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Ce, expected CeAl13Au3 to be CeAl7Au3" +mp-1102423,CeAlAu,-4.9790832975,-0.6615676358,0.0,-0.0410077308,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Ce,12.0,ABC_oP12_62_c_c_c:Al-Au-Ce +mp-1077768,CeAlAu,-4.9330481517,-0.61553249,0.0460351458,0.005027415,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Al-Au-Ce,6.0,ABC_hP6_194_c_d_a:Al-Au-Ce +mp-1226991,Ce2Al6CuAu,-4.715628211,-0.5443560150000001,0.0,-0.044283978,GGA,P4mm,A6BC2D_tP10_99_ab2c_a_ab_b:Al-Au-Ce-Cu,10.0,"Invalid WP multiplicities - A6BC2D_tP10_99_ab4c_a_ab_b:Al-Au-Ce-Cu, expected Ce2Al10CuAu to be Ce2Al6CuAu" +mp-12562,CeCu5Au,-4.4648222421,-0.2215358843,0.0,-0.0235478231,GGA,Pnma,ABC5_oP28_62_c_c_3cd:Au-Ce-Cu,28.0,ABC5_oP28_62_c_c_3cd:Au-Ce-Cu +mp-20003,Ce(Al2Cu)4,-4.3295003369,-0.3068447619,0.0,-0.0304209149,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ce-Cu,13.0,A8BC4_tI26_139_ij_a_f:Al-Ce-Cu +mp-1078886,Ce(AlAu)2,-4.691291705,-0.696890742,0.0,-0.1286795223,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Ce,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Ce +mp-1079868,CeAlCu,-4.91612298,-0.323499095,0.0,-0.0029569117,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Ce-Cu,9.0,ABC_hP9_189_f_g_bc:Al-Ce-Cu +mp-867306,AlCuAu2,-3.855860145,-0.25772352,0.0,-0.0174560072,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Au-Cu,4.0,AB2C_cF16_225_a_c_b:Al-Au-Cu +mp-1227915,Ce2Cu11Au,-4.4662901957,-0.1640520757,0.0025344552,0.0025344552,GGA,Pmc2_1,AB2C11_oP28_26_a_ab_3a4b2c:Au-Ce-Cu,28.0,"Invalid WP multiplicities - AB2C11_oP28_26_a_ab_3a4b3c:Au-Ce-Cu, expected Ce2Cu13Au to be Ce2Cu11Au" +mp-1226887,CeAlCu4,-4.5944843933,-0.2485691158,0.0,-0.0064111147,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Ce-Cu,6.0,ABC4_oC12_65_a_c_eh:Al-Ce-Cu +mp-1226709,CeAlCu4,-4.262918745,0.0829965325,0.3315656483,0.3251545336,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Ce-Cu,6.0,ABC4_hP6_187_a_c_ek:Al-Ce-Cu +mp-1070063,CeAl3Au,-4.669232456,-0.580492727,0.0,-0.0483009345,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Au-Ce,5.0,A3BC_tI10_107_ab_a_a:Al-Au-Ce +mp-1069443,CeAl3Cu,-4.67345601,-0.419651347,0.0,-0.0363584886,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Ce-Cu,5.0,A3BC_tI10_107_ab_a_a:Al-Ce-Cu +mp-1226654,CeAl3Cu,-4.591783776,-0.337979113,0.081672234,0.0453137454,GGA,I-4m2,A3BC_tI10_119_af_c_b:Al-Ce-Cu,5.0,A3BC_tI10_119_af_c_b:Al-Ce-Cu +mp-1226644,CeAl2Cu3,-4.65174494,-0.3647681358,0.0,-0.0572134437,GGA,Cmmm,A2BC3_oC12_65_e_c_ah:Al-Ce-Cu,6.0,A2BC3_oC12_65_e_c_ah:Al-Ce-Cu +mp-1206184,CeAl2Cu3,-4.5513639867,-0.2643871825,0.1003809533,0.0431675096,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Al-Ce-Cu,6.0,A2BC3_hP6_191_c_a_g:Al-Ce-Cu +mp-5967,TiCoSb,-7.1027740133,-0.7251703294,0.0,-0.3088095937,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Sb-Ti,3.0,ABC_cF12_216_c_a_b:Co-Sb-Ti +mp-1224950,FeCoSb4,-5.5787486267,-0.2296912992,0.0304664408,0.0304664408,GGA,P2/m,ABC4_mP6_10_c_e_mn:Co-Fe-Sb,6.0,ABC4_mP6_10_a_e_mn:Co-Fe-Sb +mp-998973,TiFeCoSb,-7.25875901,-0.3580509446,0.1858268025,0.1858268025,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Sb-Ti,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Sb-Ti +mp-1208267,Ti5CoSb3,-7.1076247556,-0.5550934669,0.0414856567,0.0414856567,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Co-Sb-Ti,18.0,AB3C5_hP18_193_b_g_dg:Co-Sb-Ti +mp-1208246,Ti5CoSb2,-7.3557979363,-0.5003253915,0.0,-0.0004717004,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Co-Sb-Ti,16.0,AB2C5_tI32_140_a_h_bk:Co-Sb-Ti +mp-1096066,AlCuNi2,-2.6771389775000003,2.1741249875,2.5655946381,2.5655946381,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cu-Ni,4.0,ABC2_oI8_71_a_b_e:Al-Cu-Ni +mp-2647066,Zr2AlCu2,-6.103249306,-0.29537122,0.0111708264,0.0111708264,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Al-Cu-Zr,5.0,AB2C2_oC10_65_a_g_h:Al-Cu-Zr +mp-1215376,ZrAlNi,-6.2588920933,-0.2344210467,0.4102972,0.3314388208,GGA,Imma,ABC_oI12_74_e_a_c:Al-Ni-Zr,6.0,ABC_oI12_74_e_a_c:Al-Ni-Zr +mp-5723,ZrAlNi,-6.6691892933,-0.6447182467,0.0,-0.0788583792,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Zr,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Zr +mp-1215371,Zr4CuNi,-7.5582076117,-0.2131833,0.0154102492,0.0154102492,GGA,I422,ABC4_tI12_97_a_b_j:Cu-Ni-Zr,6.0,ABC4_tI12_97_a_b_j:Cu-Ni-Zr +mp-1215308,ZrAlNi2,-6.4535490575,-0.4901616025,0.107889565,0.0948226946,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Ni-Zr,4.0,AB2C_tP4_123_a_h_b:Al-Ni-Zr +mp-3944,ZrAlNi2,-6.5614386225,-0.5980511675,0.0,-0.0130668704,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ni-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Ni-Zr +mp-1215338,ZrAl5Cu7,-4.5968952585,-0.2915086069,0.0,-0.0085404306,GGA,Imm2,A5B7C_oI26_44_2abc_bce_a:Al-Cu-Zr,13.0,A5B7C_oI26_44_2abc_bce_a:Al-Cu-Zr +mp-1261118,Zr4AlNi2,-6.9488690543,0.12208119,0.5463657129,0.5463657129,GGA,C2/c,AB2C4_mC56_15_ac_2f_bd2e2f:Al-Ni-Zr,28.0,"Invalid WP multiplicities - AB2C4_oF112_70_c_h_2d3e3f4g:Al-Ni-Zr, expected Zr12AlNi2 to be Zr4AlNi2" +mp-645193,Zr4AlNi2,-6.9455451879000005,0.1254050564,0.5496895793000001,0.5496895793000001,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:Al-Ni-Zr,28.0,"Invalid WP multiplicities - AB2C4_cF112_227_c_e_2d3f:Al-Ni-Zr, expected Zr11AlNi2 to be Zr4AlNi2" +mp-1228962,Al2Cu2Ni,-4.551249065,-0.257308729,0.1370061189,0.1370061189,GGA,P4mm,A2B2C_tP10_99_4a_4b_ab:Al-Cu-Ni,10.0,A2B2C_tP10_99_4a_4b_ab:Al-Cu-Ni +mp-1215318,ZrAlCu,-5.8670744417,-0.4029133983,0.0,-0.0008551374,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Zr,6.0,ABC_oI12_74_a_c_e:Al-Cu-Zr +mp-30183,ZrAl5Ni2,-5.4468463988,-0.5923647563000001,0.0,-0.0038287312,GGA,I4/mmm,A5B2C_tI16_139_ag_e_b:Al-Ni-Zr,8.0,A5B2C_tI16_139_ag_e_b:Al-Ni-Zr +mp-1095860,Al2CuNi,-2.57597316,1.7666505925,2.2282159908,2.2282159908,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Ni,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Ni +mp-1256151,Zr5AlNi4,-7.4200313295,-0.4595687595,0.0135054155,0.0135054155,GGA,P4/m,AB4C5_tP10_83_a_j_ck:Al-Ni-Zr,20.0,"Invalid WP multiplicities - AB4C5_tP10_83_a_j_2c2k:Al-Ni-Zr, expected Zr10AlNi4 to be Zr5AlNi4" +mp-637263,Zr5AlNi4,-7.420661154,-0.460198584,0.012875591,0.012875591,GGA,P4_2/m,AB4C5_tP20_84_e_k_f2j:Al-Ni-Zr,20.0,"Invalid WP multiplicities - AB4C5_tP20_84_e_k_2f4j:Al-Ni-Zr, expected Zr10AlNi4 to be Zr5AlNi4" +mp-1215365,Zr5AlNi4,-7.3827899365,-0.4223273665,0.0507468085,0.0507468085,GGA,P-4n2,AB4C5_tP20_118_a_i_bfg:Al-Ni-Zr,20.0,AB4C5_tP20_118_a_i_bfg:Al-Ni-Zr +mp-1228938,AlCuNi6,-5.5046070187,-0.1889066962,0.0281410363,0.0281410363,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Al-Cu-Ni,8.0,ABC6_tP8_123_a_b_cdi:Al-Cu-Ni +mp-1193679,Zr6Al16Ni7,-5.8712507483,-0.6410309614,0.0,-0.0407179584,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Zr +mp-1215477,Zr2Al3Ni,-6.2664852917000005,-0.58110772,0.0101627008,0.0101627008,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Ni-Zr,6.0,A3BC2_hR18_166_d_a_c:Al-Ni-Zr +mp-1193200,Zr6Al7Cu16,-5.2876110503,-0.3533854879,0.0,-0.0343755195,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Zr,29.0,A7B16C6_cF116_225_ad_2f_e:Al-Cu-Zr +mp-13092,Zr6Al2Ni,-7.51961247,-0.34655779,0.0165272999999999,0.0165272999999999,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Al-Ni-Zr,9.0,A2BC6_hP9_189_c_b_fg:Al-Ni-Zr +mp-1215314,ZrAlCu2,-5.3307098175,-0.2077873675,0.1482874801,0.1482874801,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Cu-Zr,4.0,AB2C_tP4_123_a_h_b:Al-Cu-Zr +mp-3736,ZrAlCu2,-5.4758876825,-0.3529652325,0.0031096151,0.0031096151,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Zr +mp-638521,Er5Al3Ni3Ge4,-5.444413753,-0.7838908863,0.0,-0.0119260387,GGA,Pmmn,A3B5C4D3_oP30_59_be_a2e_2e_ae:Al-Er-Ge-Ni,30.0,"Invalid WP multiplicities - A3B5C4D3_oP30_59_b2e_a6e_5e_2a3e:Al-Er-Ge-Ni, expected Er13Al5(Ni4Ge5)2 to be Er5Al3Ni3Ge4" +mp-1212956,Er2AlGe3,-5.0725039638,-0.6141544612000001,0.0046450985,0.0046450985,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Al-Er-Ge,24.0,AB2C3_oP24_62_c_2c_3c:Al-Er-Ge +mp-570035,ErNi3Ge2,-5.8087005546,-0.6163364613,0.0,-0.0156304046,GGA,P6/m,AB2C3_hP72_175_adfj_2j2k_2j4k:Er-Ge-Ni,72.0,"Invalid WP multiplicities - AB2C3_hP72_175_a2d2f2j_10j10k_9j23k:Er-Ge-Ni, expected Er23(Ni8Ge5)24 to be ErNi3Ge2" +mp-1225659,ErAlNi,-5.2336666275,-0.5358561875,0.0842550558,0.0708576681,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Er-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Er-Ni, expected Er3(AlNi)2 to be ErAlNi" +mp-1225729,ErAlNi,-5.2256872267,-0.5278767867,0.0922344567,0.0788370689,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Al-Er-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Al-Er-Ni, expected Er3(AlNi)2 to be ErAlNi" +mp-1078826,ErAlNi,-5.3179216833,-0.6201112433,0.0,-0.0133973878,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Er-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Er-Ni +mp-1225606,ErAl8Ni3,-4.6208005842,-0.2980726267,0.2495546948,0.2495546948,GGA,Amm2,A8BC3_oC24_38_ab3c_a_a2b:Al-Er-Ni,,"Invalid WP multiplicities - A8BC3_oC24_38_ab5c_a_a2b:Al-Er-Ni, expected Er(Al4Ni)3 to be ErAl8Ni3" +mp-1194643,Al15Ni3Ge4,-4.3899776334,-0.2074249557,0.0134382673,0.0134382673,GGA,I-43m,A15B4C3_cI88_217_e2g_2c_d:Al-Ge-Ni,44.0,A15B4C3_cI88_217_e2g_2c_d:Al-Ge-Ni +mp-1225507,ErNiGe,-5.7156356783,-0.7253412300000001,0.0850104525,-0.0188492594,GGA,C2/m,ABC_mC12_12_i_i_i:Er-Ge-Ni,6.0,ABC_mC12_12_i_i_i:Er-Ge-Ni +mp-20676,ErNiGe,-5.8006461308,-0.8103516825,0.0,-0.1038597119,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ge-Ni,12.0,ABC_oP12_62_c_c_c:Er-Ge-Ni +mp-31182,ErAl2Ni,-5.10856739,-0.6488156025,0.0,-0.0365506769,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Er-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Er-Ni +mp-1068244,Er2AlNi2,-5.46128982,-0.573032458,0.0,-0.0080427945,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Er-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Er-Ni +mp-1190746,Er3AlNi8,-5.7828176471,-0.4753321721,0.0325336796,0.0325336796,GGA,P6_3/mmc,AB3C8_hP24_194_a_cf_bdk:Al-Er-Ni,24.0,AB3C8_hP24_194_a_cf_bdk:Al-Er-Ni +mp-13069,Er(AlGe)2,-4.654139506,-0.39315427,0.0,-0.009112785,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Er-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Er-Ge +mp-17141,Er3(AlNi3)2,-5.6691596318,-0.5896025255,0.0,-0.0370521936,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Al-Er-Ni,22.0,A2B3C6_cI44_229_c_e_h:Al-Er-Ni +mp-1201645,ErNi5Ge3,-5.7905448231,-0.5308241814,0.0,-0.0185915038,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Er-Ge-Ni,36.0,AB3C5_oP36_62_c_3c_5c:Er-Ge-Ni +mp-4865,Er(NiGe)2,-5.750473252,-0.675663676,0.0,-0.029294303,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Er-Ge-Ni +mp-31183,ErAl4Ni,-4.7638703908,-0.5421772558,0.0,-0.0097394592,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Er-Ni,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2a2c4f_c_c:Al-Er-Ni, expected ErAl12Ni to be ErAl4Ni" +mp-1225250,Er2(AlNi)5,-5.3628957181,-0.6325623706,0.0093839992,0.0093839992,GGA,Pm,A5B2C5_mP36_6_6a9b_2a4b_12a3b:Al-Er-Ni,36.0,A5B2C5_mP36_6_6a9b_2a4b_12a3b:Al-Er-Ni +mp-1206391,Er2NiGe6,-5.2386560889,-0.4993514856,0.0071223918,0.0071223918,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Ni,9.0,A2B6C_oC18_38_2a_2a4b_b:Er-Ge-Ni +mp-13490,ErAl3Ni2,-5.2217966011,-0.6610099911,0.0,-0.0088529244,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Er-Ni,18.0,A3BC2_hP18_191_fk_ad_l:Al-Er-Ni +mp-1205834,Er2Al4NiGe2,-4.9683383322,-0.6190124067,0.0,-0.0171266407,GGA,I4/mmm,A4B2C2D_tI18_139_g_e_e_a:Al-Er-Ge-Ni,9.0,A4B2C2D_tI18_139_g_e_e_a:Al-Er-Ge-Ni +mp-1225079,Er2AlGe4,-4.9065687129,-0.4246937314,0.1057058912,0.1057058912,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Al-Er-Ge,7.0,AB2C4_oC14_38_a_ab_2a2b:Al-Er-Ge +mp-1078854,ErNiGe3,-5.3956931,-0.5523052890000001,0.0008297035,0.0008297035,GGA,Cmmm,AB3C_oC20_65_g_g2h_h:Er-Ge-Ni,10.0,AB3C_oC20_65_g_g2h_h:Er-Ge-Ni +mp-1024985,ErAlGe,-4.95217664,-0.6400691417000001,0.0,-0.0468729493,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Er-Ge,6.0,ABC_oC12_63_a_c_c:Al-Er-Ge +mp-571253,Er(Al3Ni)3,-4.8032453038,-0.5249136638,0.0,-0.0299403383,GGA,R32,A9BC3_hR78_155_3cdef_c_f:Al-Er-Ni,26.0,"Invalid WP multiplicities - A9BC3_hR78_155_5c3d3e4f_c_f:Al-Er-Ni, expected ErAl26Ni3 to be Er(Al3Ni)3" +mp-1188179,Er2Al3Ge4,-4.7302872578,-0.41203431,0.0197411094,0.0197411094,GGA,Cmce,A3B2C4_oC36_64_ae_f_ef:Al-Er-Ge,18.0,A3B2C4_oC36_64_ae_f_ef:Al-Er-Ge +mp-1213162,Er3NiGe2,-5.5848722833,-0.79664748,0.0,-0.0123758334,GGA,Pnma,A3B2C_oP24_62_3c_2c_c:Er-Ge-Ni,24.0,A3B2C_oP24_62_3c_2c_c:Er-Ge-Ni +mp-1225632,Er6Al2Ge7,-5.198883612,-0.7149729783000001,0.0132656973,0.0132656973,GGA,C2/m,A2B6C7_mC30_12_i_3i_a3i:Al-Er-Ge,15.0,"Invalid WP multiplicities - A2B6C7_mC30_12_i_6i_a6i:Al-Er-Ge, expected Er12Al2Ge13 to be Er6Al2Ge7" +mp-1225548,ErAlNi4,-5.7744554533,-0.5354818933000001,0.0,-0.0240552527,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Er-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Er-Ni +mp-1225616,ErAlNi4,-5.7068510433,-0.4678774833,0.06760441,0.0435491573,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Er-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Er-Ni +mp-1228832,AlNi6Ge,-5.7406316337,-0.3594536631,0.0026075575,0.0026075575,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Al-Ge-Ni,8.0,ABC6_tP8_123_a_b_cdi:Al-Ge-Ni +mp-1228288,Al4Ni15Ge,-5.7178311895,-0.4024621207,0.0028196465,0.0028196465,GGA,P4/mmm,A4BC15_tP20_123_2g_a_ce2h2i:Al-Ge-Ni,20.0,"Invalid WP multiplicities - A4BC15_tP20_123_3g_a_c2e3h7i:Al-Ge-Ni, expected Al6Ni39Ge to be Al4Ni15Ge" +mp-1198518,Er11(AlGe4)2,-5.3121599064,-0.8016703155,0.0,-0.0029250336,GGA,I4/mmm,A2B11C8_tI84_139_h_eh2n_deim:Al-Er-Ge,42.0,A2B11C8_tI84_139_h_eh2n_deim:Al-Er-Ge +mp-12388,Er3Al3NiGe2,-5.1810588022,-0.7403836567000001,0.0,-0.0364998853,GGA,P-62m,A3B3C2D_hP9_189_f_g_c_b:Al-Er-Ge-Ni,9.0,A3B3C2D_hP9_189_f_g_c_b:Al-Er-Ge-Ni +mp-1228803,AlNiGe,-5.1248486733,-0.408601885,0.0306247783,0.0306247783,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Ge-Ni,3.0,ABC_cF12_216_a_b_c:Al-Ge-Ni +mp-1228880,AlNi4Ge,-5.6686033667,-0.4204116325,0.0,-0.003112126,GGA,Pmc2_1,ABC4_oP12_26_a_b_2a2b:Al-Ge-Ni,12.0,ABC4_oP12_26_a_b_2a2b:Al-Ge-Ni +mp-1078651,ErNiGe2,-5.5661152775,-0.6676374775,0.0237812631,-0.0102694203,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Er-Ge-Ni,8.0,AB2C_oC16_63_c_2c_c:Er-Ge-Ni +mp-582572,ErNiGe2,-5.5898965406,-0.6914187406,0.0,-0.0340506834,GGA,Immm,AB2C_oI32_71_eg_efn_n:Er-Ge-Ni,16.0,"Invalid WP multiplicities - AB2C_oI32_71_eg_2e2f2n_n:Er-Ge-Ni, expected ErNiGe4 to be ErNiGe2" +mp-570622,NaGa3Se5,-4.093941714,-0.9954560752,0.0,-0.0493641131,GGA,P2_12_12_1,A3BC5_oP144_19_12a_4a_20a:Ga-Na-Se,144.0,"Invalid WP multiplicities - A3BC5_oP144_19_46a_15a_77a:Ga-Na-Se, expected Na15Ga46Se77 to be NaGa3Se5" +mp-646612,NaCe(GaSe2)4,-4.5440111321,-1.1629189636,0.0074515634,0.0074515634,GGA,Fddd,AB4CD8_oF224_70_ab_2h_e_4h:Ce-Ga-Na-Se,56.0,"Invalid WP multiplicities - AB4CD8_oF224_70_2ab_7h_e_23h:Ce-Ga-Na-Se, expected Na2Ce3(Ga7Se23)4 to be NaCe(GaSe2)4" +mp-1173753,Na2Ga2Se3,-3.7998569564,-1.0585745186,0.0,-0.0429813046,GGA,C2/m,A2B2C3_mC28_12_j_adg_ij:Ga-Na-Se,14.0,"Invalid WP multiplicities - A2B2C3_mC28_12_j_acg_2i2j:Ga-Na-Se, expected NaGaSe3 to be Na2Ga2Se3" +mp-675013,Na(Ce2Se3)4,-6.3852443276,-2.0643787912,0.0,-0.0024372768,GGA,I-42d,A8BC12_tI84_122_cde_a_3e:Ce-Na-Se,42.0,"Invalid WP multiplicities - A8BC12_tI84_122_4c3d6e_a_16e:Ce-Na-Se, expected Na(Ce19Se32)2 to be Na(Ce2Se3)4" +mp-17148,Na3GaSe3,-3.6664213032,-1.1687918267,0.0,-0.0454552029,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ga-Na-Se,28.0,AB3C3_mP28_14_e_3e_3e:Ga-Na-Se +mp-999491,NaCeSe2,-5.4324520225,-1.8705926716,0.0,-0.0994462389,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Na-Se,4.0,ABC2_hR12_166_a_b_c:Ce-Na-Se +mp-1221088,NaCe2Se3,-5.85729116,-1.9112181539,0.01944638,0.01944638,GGA,Immm,A2BC3_oI12_71_e_a_cf:Ce-Na-Se,6.0,A2BC3_oI12_71_e_a_cf:Ce-Na-Se +mp-1206829,MnFeGe,-7.494530255,-0.0761754693,0.0419204544,0.0419204544,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-Ge-Mn,6.0,ABC_hP6_194_c_d_a:Fe-Ge-Mn +mp-1222206,Mn10(SiGe)3,-7.824809937499999,-0.2144855265,0.0429752283,0.0429752283,GGA,P-62m,A3B10C3_hP16_189_f_fgh_g:Ge-Mn-Si,16.0,A3B10C3_hP16_189_f_fgh_g:Ge-Mn-Si +mp-1221552,Mn5Si2Ge,-7.9188914444,-0.2584238975,0.0379799184,0.0379799184,GGA,Amm2,AB5C2_oC32_38_d_abdef_abe:Ge-Mn-Si,16.0,AB5C2_oC32_38_d_abdef_abe:Ge-Mn-Si +mp-640075,FeSiGe,-6.3401135592,-0.1673245275,0.14999505,0.14999505,GGA,Cmce,ABC_oC48_64_df_g_g:Fe-Ge-Si,24.0,"Invalid WP multiplicities - ABC_oC48_64_3d3f_g_g:Fe-Ge-Si, expected Fe3SiGe to be FeSiGe" +mp-640080,FeSiGe,-6.3235605037,-0.1507714721,0.1665481054,0.1665481054,GGA,Cmce,ABC_oC48_64_df_g_g:Fe-Ge-Si,24.0,"Invalid WP multiplicities - ABC_oC48_64_4d3f_g_g:Fe-Ge-Si, expected Fe7(SiGe)2 to be FeSiGe" +mp-1222097,Mn4Fe8SiGe3,-7.8916408069,-0.1602262792,0.0073337281,0.0073337281,GGA,R-3m,A8B3C4D_hR48_166_4c_ac_2c_b:Fe-Ge-Mn-Si,16.0,"Invalid WP multiplicities - A8B3C4D_hR48_166_7c_a2c_2c_b:Fe-Ge-Mn-Si, expected Mn4Fe14SiGe5 to be Mn4Fe8SiGe3" +mp-1222161,Mn4FeGe3,-7.487267425,-0.1138716821,0.0081783471,0.0081783471,GGA,P-31m,AB3C4_hP16_162_c_k_dk:Fe-Ge-Mn,16.0,AB3C4_hP16_162_c_k_dk:Fe-Ge-Mn +mp-1222120,Mn4Fe8Si3Ge,-8.1099467569,-0.2782459573,0.0,-0.0063387869,GGA,R-3m,A8BC4D3_hR48_166_4c_a_2c_bc:Fe-Ge-Mn-Si,16.0,"Invalid WP multiplicities - A8BC4D3_hR48_166_7c_a_2c_b2c:Fe-Ge-Mn-Si, expected Mn4Fe14Si5Ge to be Mn4Fe8Si3Ge" +mp-1093841,MnFe2Ge,-4.9724417675,2.7088296243,2.8193247175,2.8193247175,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Ge-Mn,4.0,A2BC_oI8_71_e_a_b:Fe-Ge-Mn +mp-1018071,MnFe2Ge,-7.79128661,-0.1100152182,0.000479875,0.000479875,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ge-Mn,4.0,A2BC_cF16_225_c_a_b:Fe-Ge-Mn +mp-1094148,Mn2FeGe5,-6.3278496422,-0.0892007585,0.0027157699,0.0027157699,GGA,P-4n2,AB5C2_tP32_118_h_f2i_ace:Fe-Ge-Mn,32.0,AB5C2_tP32_118_h_f2i_ace:Fe-Ge-Mn +mp-1222054,Mn3Fe3Ge2,-7.8348260188,-0.0670553667,0.04622774,0.04622774,GGA,P-6m2,A3B2C3_hP8_187_j_ad_k:Fe-Ge-Mn,8.0,A3B2C3_hP8_187_j_ad_k:Fe-Ge-Mn +mp-1222068,Mn2Fe4SiGe,-8.006182585,-0.2246249214,0.0,-0.0022959188,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Fe-Ge-Mn-Si,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_4c_a_c_b:Fe-Ge-Mn-Si, expected Mn2Fe8SiGe to be Mn2Fe4SiGe" +mp-1204118,Hg8Bi3As4Cl13,-2.9164941414000003,-0.8944098374,0.0,-0.0353403134,GGA,P3_121,A4B3C13D8_hP168_152_4c_3c_13c_ab7c:As-Bi-Cl-Hg,168.0,A4B3C13D8_hP168_152_4c_3c_13c_ab7c:As-Bi-Cl-Hg +mp-570652,Hg6BiAs4Cl7,-2.7810204135000003,-0.7121981046,0.0035112859,0.0035112859,GGA,Pa-3,A4BC7D6_cP72_205_2c_a_bd_d:As-Bi-Cl-Hg,72.0,"Invalid WP multiplicities - A4BC7D6_cP72_205_10c_a_4b5d_d:As-Bi-Cl-Hg, expected Hg6Bi(As10Cl17)2 to be Hg6BiAs4Cl7" +mp-1105622,Cs3CoCl5,-4.0182718961,-1.9030265393,0.0,-0.0005892597,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Cl-Co-Cs,18.0,A5BC3_tI36_140_cl_b_ah:Cl-Co-Cs +mp-504708,CsCoCl3,-4.267015151,-1.5571491216000002,0.0,-0.0014063843,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Co-Cs,10.0,A3BC_hP10_194_h_a_c:Cl-Co-Cs +mp-1226391,Cs5CoAgCl8,-3.795471153,-1.8483925571,0.0071741332,0.0071741332,GGA,Fmm2,AB8CD5_oF120_42_d_2a2cd2e_c_b2ce:Ag-Cl-Co-Cs,30.0,"Invalid WP multiplicities - AB8CD5_oF120_42_d_2a4cd3e_c_b4c2e:Ag-Cl-Co-Cs, expected Cs9CoAgCl12 to be Cs5CoAgCl8" +mp-1193242,Cs2CoCl4,-4.1293292068,-1.8017193241,0.0,-0.0222204339,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Cl-Co-Cs,28.0,A4BC2_oP28_62_2cd_c_2c:Cl-Co-Cs +mp-1111471,Cs2CuBiCl6,-3.752958082,-1.6707860316,0.0241760875,0.0241760875,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Cu +mp-1111725,Rb2SmAgCl6,-4.224891489,-2.1645484647,0.022782959,0.022782959,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Sm +mp-1113566,Cs2EuAgCl6,-4.667826198,-2.0706679473,0.5123130068,0.5123130068,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Eu,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Eu +mp-1214224,BaYbCuTe3,-4.1532760325,-1.3219914375,0.063717085,0.063717085,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-Te-Yb,,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-Te-Yb +mp-1215998,Yb(CuTe)3,-3.9750759743,-0.6511979786000001,0.04323915,0.04323915,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Te-Yb,,A3B3C_hR42_148_f_f_c:Cu-Te-Yb +mp-1186910,RbCe3,-3.90944636,0.7855040244,0.7855040244,0.7855040244,GGA,I4/mmm,A3B_tI8_139_ad_b:Ce-Rb,4.0,A3B_tI8_139_ad_b:Ce-Rb +mp-1186965,Rb3Ce,-1.4157573275,0.8029155156000001,0.8029155156000001,0.8029155156000001,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Rb,4.0,AB3_cP4_221_a_c:Ce-Rb +mp-1212533,RbCe3Te8,-5.0353207952,-1.3748000715,0.2984019744,0.2984019744,GGA,P2_1/c,A3BC8_mP48_14_3e_e_8e:Ce-Rb-Te,48.0,A3BC8_mP48_14_3e_e_8e:Ce-Rb-Te +mp-4240,RbCeTe2,-4.8707064375,-1.570647684,0.0,-0.1024208891,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Rb-Te,4.0,ABC2_hR12_166_a_b_c:Ce-Rb-Te +mp-581778,Rb2CeCu3Te5,-4.13647429,-0.8720827648,0.093111532,0.093111532,GGA,C2/m,AB3C2D5_mC44_12_i_gj_2i_3ij:Ce-Cu-Rb-Te,22.0,"Invalid WP multiplicities - AB3C2D5_mC44_12_i_2g2j_3i_5i3j:Ce-Cu-Rb-Te, expected Rb3CeCu6Te11 to be Rb2CeCu3Te5" +mp-1112669,Cs2LiTbCl6,-4.432450955,-2.4899195879,0.0,-0.0298667984,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tb +mp-1111537,Na2GaAgBr6,-3.011525403,-1.2291381437,0.205251161,0.205251161,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-Na +mp-1113963,Rb2NaScCl6,-4.474272725,-2.4035444747,0.0,-0.0434657681,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sc +mp-1113641,Rb2TbAuCl6,-4.134445104,-2.0383914835,0.1147657288,0.1147657288,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tb +mp-1112940,Cs2AgSbCl6,-3.639041657,-1.6546834623,0.0,-0.003726231,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sb +mp-1112926,Cs2SbAuCl6,-3.566690711,-1.5381999166,0.08717431,0.08717431,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sb +mp-637194,Cs3Sc2Cl9,-4.8097421457,-2.5248867696,0.0,-0.0309718946,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Cl-Cs-Sc,28.0,"Invalid WP multiplicities - A9B3C2_hR84_167_4e4f_e_c:Cl-Cs-Sc, expected Cs3Sc2Cl36 to be Cs3Sc2Cl9" +mp-1113294,Cs2ScHgCl6,-4.021055956,-2.0692385386,0.099117027,0.099117027,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Sc +mp-1203917,Cs3ScCl6,-4.471033651,-2.4600440329,0.0,-0.016138257,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Cs-Sc,40.0,A6B3C_mC80_15_6f_3f_ae:Cl-Cs-Sc +mp-1112350,Cs3ScCl6,-4.433649756,-2.4226601379,0.037383895,0.021245638,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sc,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sc +mp-27359,CsScCl3,-4.892448718,-2.3377524266,0.0188085583,0.0188085583,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Sc,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Sc +mp-1225787,Eu2In3Cu,-5.8369780333,-0.3589344567,0.0342831675,0.0342831675,GGA,Pmm2,AB2C3_oP6_25_a_bd_a2c:Cu-Eu-In,6.0,AB2C3_oP6_25_a_bd_a2c:Cu-Eu-In +mp-1215962,YbIn7Cu5,-3.2528551915,-0.0761299808,0.0538897134,0.0538897134,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Yb,,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Yb +mp-1216055,YbEu(InCu4)2,-4.3950094283,-0.2205401867,0.01249575,0.01249575,GGA,R3m,A8BC2D_hR36_160_2a2b_a_2a_a:Cu-Eu-In-Yb,,"Invalid WP multiplicities - A8BC2D_hR36_160_2a6b_a_2a_a:Cu-Eu-In-Yb, expected YbEu(InCu10)2 to be YbEu(InCu4)2" +mp-1216251,Yb(InCu)6,-3.4016496646,-0.1212688431,0.0094687276,0.0094687276,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Yb,,A6B6C_oI26_71_fk_egh_a:Cu-In-Yb +mp-1095660,EuIn4Cu,-4.4956731242,-0.2685158925,0.0,-0.0177391285,GGA,Cmcm,ABC4_oC24_63_c_c_acf:Cu-Eu-In,12.0,ABC4_oC24_63_c_c_acf:Cu-Eu-In +mp-21500,Yb2InCu2,-3.171096397,-0.365233671,0.009263871,0.009263871,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Yb,,A2BC2_tP10_127_g_a_h:Cu-In-Yb +mp-977365,YbEuIn2,-3.4120799575,0.9129144275,1.3690593527,1.3690593527,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-In-Yb,,AB2C_cF16_225_a_c_b:Eu-In-Yb +mp-569661,YbInCu4,-3.72817372,-0.2801539383,0.0,-0.0492169954,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Yb,,A4BC_cF24_216_e_a_c:Cu-In-Yb +mp-1114668,Rb2NaAuCl6,-3.315890843,-1.5510213032,0.1221427285,0.1221427285,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Na-Rb +mp-1104804,Ba2Cd2Sb3,-3.3534442036,-0.7719109007,0.0,-0.0011477136,GGA,C2/m,A2B2C3_mC28_12_2i_2i_3i:Ba-Cd-Sb,14.0,A2B2C3_mC28_12_2i_2i_3i:Ba-Cd-Sb +mp-684034,Ba21(Cd2Sb9)2,-3.8106922503,-1.0592491085,0.0,-0.0288572488,GGA,Cmce,A21B4C18_oC344_64_3f9g_2fg_de8f4g:Ba-Cd-Sb,172.0,"Invalid WP multiplicities - A21B4C18_oC344_64_12f62g_5f4g_4d4e30f28g:Ba-Cd-Sb, expected Ba136Cd13Sb94 to be Ba21(Cd2Sb9)2" +mp-30040,BaCdSb2,-3.4773877363,-0.7024209413,0.0027883792,0.0027883792,GGA,I4/mmm,ABC2_tI16_139_e_d_ce:Ba-Cd-Sb,8.0,ABC2_tI16_139_e_d_ce:Ba-Cd-Sb +mp-865143,BaYbCdSb2,-3.466281326,-0.938386234,0.0,-0.0459085079,GGA,Cmc2_1,ABC2D_oC20_36_a_a_2a_a:Ba-Cd-Sb-Yb,,"Invalid WP multiplicities - ABC2D_oC20_36_a_a_3a_a:Ba-Cd-Sb-Yb, expected BaYbCdSb3 to be BaYbCdSb2" +mp-570121,Ba11(CdSb2)6,-3.4862433297,-0.8588613372,0.0395417571,0.0395417571,GGA,C2/m,A11B6C12_mC58_12_a5i_3i_6i:Ba-Cd-Sb,29.0,"Invalid WP multiplicities - A11B6C12_mC58_12_a9i_6i_10i:Ba-Cd-Sb, expected Ba19(Cd3Sb5)4 to be Ba11(CdSb2)6" +mp-571069,Ba3(CdSb2)2,-3.5350622856,-0.8552056967,0.0,-0.0128557828,GGA,C2/m,A3B2C4_mC18_12_ai_i_2i:Ba-Cd-Sb,9.0,"Invalid WP multiplicities - A3B2C4_mC18_12_ai_i_4i:Ba-Cd-Sb, expected Ba3(CdSb4)2 to be Ba3(CdSb2)2" +mp-8150,Ba(CdSb)2,-3.023318058,-0.61876667,0.0,-0.0517462083,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Cd-Sb,5.0,AB2C2_hP5_164_a_d_d:Ba-Cd-Sb +mp-1224898,GaAg(GeSe3)2,-4.2191002285,-0.6108825683,0.0129628852,0.0129628852,GGA,Cc,ABC2D6_mC40_9_a_a_2a_6a:Ag-Ga-Ge-Se,20.0,"Invalid WP multiplicities - ABC2D6_mC40_9_a_a_4a_12a:Ag-Ga-Ge-Se, expected GaAg(GeSe3)4 to be GaAg(GeSe3)2" +mp-1216559,TlCoNiSe2,-4.881535456,-0.4329513406,0.0376265413,0.0376265413,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Co-Ni-Se-Tl,5.0,ABC2D_tI10_119_a_b_f_c:Co-Ni-Se-Tl +mp-1226084,CoNiSe4,-5.0519563442,-0.5732729466,0.0103252267,0.0103252267,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Ni-Se,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Ni-Se, expected CoNiSe8 to be CoNiSe4" +mp-4475,Tl(CoSe)2,-5.126954008,-0.4127336696,0.0464635525,0.0464635525,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Se-Tl,5.0,A2B2C_tI10_139_d_e_a:Co-Se-Tl +mp-1206900,Tl2NiSe2,-3.092203058,0.4072461277,0.9097404185,0.9097404185,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ni-Se-Tl,5.0,AB2C2_tI10_139_a_e_d:Ni-Se-Tl +mp-1025190,Co2NiSe4,-5.4094081243,-0.5550626699,0.0094670438,0.0094670438,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Co-Ni-Se,7.0,A2BC4_mC14_12_i_a_2i:Co-Ni-Se +mp-1226013,CoNiSe2,-5.4006600075,-0.4305906499,0.0915463425,0.0915463425,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Ni-Se,4.0,ABC2_hP4_164_a_b_d:Co-Ni-Se +mp-1226512,Co(NiSe2)2,-5.21613782,-0.5515325249,0.0192310862,0.0192310862,GGA,Cm,AB2C4_mC14_8_a_2a_4a:Co-Ni-Se,7.0,AB2C4_mC14_8_a_2a_4a:Co-Ni-Se +mp-1025318,Co(NiSe2)2,-5.2047277229,-0.5401224278,0.0306411833,0.0306411833,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Ni-Se,7.0,AB2C4_mC14_12_a_i_2i:Co-Ni-Se +mp-1216747,Tl2Co3NiSe4,-5.003712521,-0.4223102941,0.0431270869,0.0431270869,GGA,C222,A3BC4D2_oC20_21_abc_d_l_k:Co-Ni-Se-Tl,10.0,A3BC4D2_oC20_21_abc_d_l_k:Co-Ni-Se-Tl +mp-1216669,Tl2Co3NiSe4,-5.004500634,-0.4230984071,0.0423389739,0.0423389739,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Co-Ni-Se-Tl,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Co-Ni-Se-Tl, expected Tl2Co3NiSe8 to be Tl2Co3NiSe4" +mp-1207273,Tl2CoSe2,-3.300301718,0.4647836907,0.9609761863,0.9609761863,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Co-Se-Tl,5.0,AB2C2_tI10_139_a_e_d:Co-Se-Tl +mp-4354,Tl(NiSe)2,-4.63936835,-0.4564204576,0.0223194512,0.0223194512,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Se-Tl,5.0,A2B2C_tI10_139_d_e_a:Ni-Se-Tl +mp-7909,Al2CdTe4,-3.7037708157,-0.7055901024,0.0,-0.0111463591,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Cd-Te,7.0,A2BC4_tI14_82_ac_b_g:Al-Cd-Te +mp-1228925,AlCdSbTe,-3.42539945,-0.4402062692,0.0221970125,0.0221970125,GGA,R3m,ABCD_hR12_160_a_a_a_a:Al-Cd-Sb-Te,4.0,ABCD_hR12_160_a_a_a_a:Al-Cd-Sb-Te +mp-16870,Ba2CdSe3,-4.3487258825,-1.8072968703,0.0004152258,0.0004152258,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Cd-Se,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_2c_c_4c:Ba-Cd-Se, expected Ba2CdSe4 to be Ba2CdSe3" +mp-1093694,Ba2CdSn,-1.1974777,0.9951251738,1.5240934744,1.5240934744,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Sn,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Sn +mp-1183198,Ba2CdSn,-2.7167096375,-0.5241067637,0.0048615369,0.0048615369,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Cd-Sn,4.0,A2BC_cF16_225_c_a_b:Ba-Cd-Sn +mp-1227971,BaCdSn,-2.8119584267,-0.5281462417,0.0,-0.0320847584,GGA,C2/m,ABC_mC12_12_i_i_i:Ba-Cd-Sn,6.0,ABC_mC12_12_i_i_i:Ba-Cd-Sn +mp-574684,Na2SnAs2,-3.5452173265,-0.3506454761,0.0,-0.0065657925,GGA,I4_1/acd,A2B2C_tI160_142_deg_2fg_g:As-Na-Sn,80.0,"Invalid WP multiplicities - A2B2C_tI160_142_8d6e7g_12f6g_g:As-Na-Sn, expected Na12SnAs14 to be Na2SnAs2" +mp-866536,NaEu2Sn,-6.7822649425,-0.3207397554,0.1563297984,0.1563297984,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Na-Sn,4.0,A2BC_cF16_225_c_a_b:Eu-Na-Sn +mp-5248,Na5SnAs3,-3.1520729803,-0.4187892539,0.0,-0.0399401781,GGA,P2_1/c,A3B5C_mP36_14_3e_5e_e:As-Na-Sn,36.0,"Invalid WP multiplicities - A3B5C_mP36_14_4e_7e_e:As-Na-Sn, expected Na7SnAs4 to be Na5SnAs3" +mp-9378,Na(SnAs)2,-3.983236062,-0.2512548993,0.0,-0.0336955482,GGA,R-3m,A2BC2_hR15_166_c_a_c:As-Na-Sn,5.0,A2BC2_hR15_166_c_a_c:As-Na-Sn +mp-1221218,Na4Eu2SnAs4,-5.0630466195,-0.6584875060000001,0.0200567367,0.0200567367,GGA,Cc,A4B2C4D_mC44_9_4a_2a_4a_a:As-Eu-Na-Sn,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_9_7a_4a_7a_a:As-Eu-Na-Sn, expected Na7Eu4SnAs7 to be Na4Eu2SnAs4" +mp-638558,Na10EuSn12,-3.3883830687,-0.2754649385,0.0,-0.0089762614,GGA,I-43m,AB10C12_cI46_217_a_cd_g:Eu-Na-Sn,23.0,"Invalid WP multiplicities - AB10C12_cI46_217_a_4c3d_g:Eu-Na-Sn, expected Na34EuSn12 to be Na10EuSn12" +mp-1103187,CsTmZnTe3,-3.969711645,-1.2928951308,0.0,-0.0812511271,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Tm-Zn,12.0,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Tm-Zn +mp-1228102,Ba4Ge2Te5Se3,-4.4962759243,-1.4158316836,0.0129118099,0.0129118099,GGA,P1,A4B2C3D5_aP14_1_4a_2a_3a_5a:Ba-Ge-Se-Te,14.0,A4B2C3D5_aP14_1_4a_2a_3a_5a:Ba-Ge-Se-Te +mp-1224356,Ge5Te4Se,-4.211539401,-0.2931119684,0.0398041665,0.0398041665,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:Ge-Se-Te,10.0,"Invalid WP multiplicities - A5BC4_tI20_139_a3e_b_3e:Ge-Se-Te, expected Ge7Te6Se to be Ge5Te4Se" +mp-17885,Ba2Ge2Te5,-4.2870439508,-1.0869845001,0.0,-0.0154754381,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Ba-Ge-Te,36.0,A2B2C5_oP36_33_2a_2a_5a:Ba-Ge-Te +mp-1224326,Ge3Te2Se,-4.26347253,-0.3215380584,0.0311759025,0.0311759025,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:Ge-Se-Te,6.0,A3BC2_hP6_164_ad_b_d:Ge-Se-Te +mp-570803,Ba2Ge(TeSe)2,-4.5769653814,-1.4713350276,0.0,-0.0091971185,GGA,P2_1/m,A2BC2D2_mP14_11_2e_e_f_2e:Ba-Ge-Se-Te,14.0,"Invalid WP multiplicities - A2BC2D2_mP14_11_3e_e_f_3e:Ba-Ge-Se-Te, expected Ba3GeTe3Se2 to be Ba2Ge(TeSe)2" +mp-1224336,Ge2TeSe,-4.32376781,-0.3524495398,0.0250117037,0.0250117037,GGA,R-3m,A2BC_hR12_166_c_a_b:Ge-Se-Te,4.0,A2BC_hR12_166_c_a_b:Ge-Se-Te +mp-962067,BaNaSn,-2.60023443,-0.1832104005,0.2852188428,0.2852188428,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-Na-Sn,3.0,ABC_cF12_216_a_c_b:Ba-Na-Sn +mp-17470,Ba3(SnAs2)2,-4.4225362172,-0.821142645,0.0,-0.1020065654,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:As-Ba-Sn,36.0,A4B3C2_mP36_14_4e_3e_2e:As-Ba-Sn +mp-1096726,BaNa2Sn,-1.1226402525,1.020759093,1.3720810255,1.3720810255,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Na-Sn,4.0,AB2C_oI8_71_a_e_b:Ba-Na-Sn +mp-1183338,BaNa2Sn,-2.43456962,-0.2911702745,0.060151658,0.060151658,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Na-Sn,4.0,AB2C_cF16_225_a_c_b:Ba-Na-Sn +mp-1228433,Ba2Na(SnAs)6,-4.2705630427,-0.4590552604,0.0,-0.0280747413,GGA,C2/m,A6B2CD6_mC30_12_ij_g_a_ij:As-Ba-Na-Sn,15.0,"Invalid WP multiplicities - A6B2CD6_mC30_12_2i2j_g_a_2i2j:As-Ba-Na-Sn, expected Ba2Na(SnAs)12 to be Ba2Na(SnAs)6" +mp-1096626,Ba2NaSn,-1.3940131275,0.8984986296,1.3543582184,1.3543582184,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Na-Sn,4.0,A2BC_oI8_71_e_a_b:Ba-Na-Sn +mp-20809,Cr4InCuSe8,-6.0311377143,-0.7861111356,0.0,-0.0136538446,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-In-Se,14.0,"Invalid WP multiplicities - A4BCD8_cF56_216_e_a_c_5e:Cr-Cu-In-Se, expected Cr4InCuSe20 to be Cr4InCuSe8" +mp-1226645,Cr4In2(CuSe4)3,-5.3632277981,-0.679222318,0.0537829909,0.0537829909,GGA,C2/m,A4B3C2D12_mC84_12_eij_3i_adi_6i3j:Cr-Cu-In-Se,42.0,"Invalid WP multiplicities - A4B3C2D12_mC84_12_2ei2j_5i_ac2i_12i12j:Cr-Cu-In-Se, expected Cr7In3Cu5Se36 to be Cr4In2(CuSe4)3" +mp-1104974,Cr5InSe8,-6.417953385,-0.7762238921,0.0057430148,0.0057430148,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-In-Se,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-In-Se +mp-1007961,CrInCu2,-4.9536519850000005,0.19713415,0.2018003471,0.2018003471,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Cu-In,4.0,AB2C_cF16_225_a_c_b:Cr-Cu-In +mp-1183574,CaEuZn2,-3.9587800525,-0.2632578275,0.0,-0.0028862512,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Zn +mp-570883,Ca21(Zn18Ni)2,-1.9618399697,-0.2833884308,0.0076998696,0.0076998696,GGA,Fd-3m,A21B2C36_cF472_227_a2eg_c_3g:Ca-Ni-Zn,118.0,"Invalid WP multiplicities - A21B2C36_cF472_227_2a9e8g_c_57g:Ca-Ni-Zn, expected Ca67Zn342Ni to be Ca21(Zn18Ni)2" +mp-1225527,Eu2(ZnNi)5,-4.9355873792,-0.292803625,0.0,-0.0544934781,GGA,Pmmm,A2B5C5_oP12_47_ad_fij_gx:Eu-Ni-Zn,12.0,"Invalid WP multiplicities - A2B5C5_oP12_47_ad_f2ij_gx:Eu-Ni-Zn, expected Eu2Zn5Ni7 to be Eu2(ZnNi)5" +mp-542953,CaZn3Ni2,-3.2068451322,-0.3159944539,0.0,-0.051276106,GGA,P6/mmm,AB2C3_hP18_191_ad_l_fk:Ca-Ni-Zn,18.0,AB2C3_hP18_191_ad_l_fk:Ca-Ni-Zn +mp-1227643,Ca2Eu(Zn3Ni2)3,-3.6564825167,-0.3072206206,0.0,-0.0006417688,GGA,P6/mmm,A2BC6D9_hP18_191_d_a_l_fk:Ca-Eu-Ni-Zn,18.0,A2BC6D9_hP18_191_d_a_l_fk:Ca-Eu-Ni-Zn +mp-675120,Cu2SiTe3,-4.12682827,-0.2845534283,0.0,-0.0404770542,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cu-Si-Te,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_5a:Cu-Si-Te, expected Cu4SiTe5 to be Cu2SiTe3" +mp-1225810,Cu2SiTe3,-4.1263228733,-0.2840480317,0.0005053967,-0.0399716575,GGA,Imm2,A2BC3_oI12_44_c_a_bc:Cu-Si-Te,6.0,A2BC3_oI12_44_c_a_bc:Cu-Si-Te +mp-1078498,ZnCu2SiTe4,-3.821127925,-0.3890406058,0.0,-0.0045847763,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Si-Te-Zn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Si-Te-Zn +mp-567753,La3CuSnSe7,-5.6390254333000005,-1.690010418,0.0,-0.0152866195,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-Se-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b8c_b:Cu-La-Se-Sn, expected La3CuSnSe26 to be La3CuSnSe7" +mp-11790,LaCuSe2,-5.5780868544,-1.5713276718,0.0,-0.0136238383,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-La-Se,16.0,ABC2_mP16_14_e_e_2e:Cu-La-Se +mp-975271,RbTi5Se8,-6.3678931321,-1.4803727052,0.0,-0.038066279,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Rb-Se-Ti,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_7i_c3i:Rb-Se-Ti, expected Rb(TiSe2)7 to be RbTi5Se8" +mp-1219673,Rb(Ti3Se4)2,-6.5587366407,-1.4706847744,0.0,-0.0389237961,GGA,P-3,AB8C6_hP15_147_a_dg_g:Rb-Se-Ti,15.0,AB8C6_hP15_147_a_dg_g:Rb-Se-Ti +mp-1179697,RbTiCu3Se4,-4.7254008622,-0.8190350834,0.0451269481,0.0451269481,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Ti,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Ti +mp-1226625,CeCuSi2Pd,-5.934634802,-0.722072063,0.0,-0.007591375,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Pd-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Pd-Si +mp-677245,Na2Sr3As4,-3.6740171808,-0.7462388956,0.1146180781,0.1077473765,GGA,P2_1/c,A4B2C3_mP36_14_4e_2e_3e:As-Na-Sr,36.0,"Invalid WP multiplicities - A4B2C3_mP36_14_13e_5e_9e:As-Na-Sr, expected Na5Sr9As13 to be Na2Sr3As4" +mp-1221310,Na2Sr3As4,-3.7886352589,-0.8608569737,0.0,-0.0068707016,GGA,P2_1/c,A4B2C3_mP36_14_4e_2e_3e:As-Na-Sr,36.0,"Invalid WP multiplicities - A4B2C3_mP36_14_6e_2e_5e:As-Na-Sr, expected Na2Sr5As6 to be Na2Sr3As4" +mp-11677,Sr3(SiAs2)2,-4.6692994228,-0.8297894183000001,0.0,-0.0536932651,GGA,C2/c,A4B2C3_mC36_15_2f_f_3e:As-Si-Sr,18.0,"Invalid WP multiplicities - A4B2C3_mC36_15_3f_f_3e:As-Si-Sr, expected Sr3(SiAs3)2 to be Sr3(SiAs2)2" +mp-1210697,Na(SrAs)4,-3.941209065,-0.9726565398,0.0344354865,0.0344354865,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:As-Na-Sr,36.0,A4BC4_oP36_62_2cd_c_2d:As-Na-Sr +mp-1221154,Na4Sr2SiAs4,-3.6512167245,-0.6756822036,0.0,-0.011000981,GGA,Cc,A4B4CD2_mC44_9_4a_4a_a_2a:As-Na-Si-Sr,22.0,"Invalid WP multiplicities - A4B4CD2_mC44_9_7a_7a_a_4a:As-Na-Si-Sr, expected Na7Sr4SiAs7 to be Na4Sr2SiAs4" +mp-18139,Na5SiAs3,-3.3097127653,-0.4191239084,0.0,-0.0632008518,GGA,P2_1/c,A3B5C_mP36_14_3e_5e_e:As-Na-Si,36.0,A3B5C_mP36_14_3e_5e_e:As-Na-Si +mp-9775,NaSrAs,-3.4269234044,-0.8698776872,0.0,-0.0735456322,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Na-Sr,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:As-Na-Sr, expected Na3Sr3As5 to be NaSrAs" +mp-1196120,Sr4SiAs4,-4.4434165928,-1.018998208,0.0,-0.045716346,GGA,P-43n,A4BC4_cP72_218_ei_ac_ei:As-Si-Sr,72.0,A4BC4_cP72_218_ei_ac_ei:As-Si-Sr +mp-1213268,CsLu2Cl7,-4.9530275248,-2.6653215215,0.0,-0.0881328428,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Lu,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Lu +mp-570379,Cs2LiLuCl6,-4.420866306,-2.4896764969,0.0,-0.0504555864,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Lu,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Lu +mp-1110988,Cs2LiTaCl6,-4.599346079,-1.9344735589,0.1197080778,0.1197080778,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Ta +mp-1210630,Nb6TlCl15,-5.785468291,-1.6628081416,0.0,-0.0060711065,GGA,Pmma,A15B6C_oP88_51_efgijk5l_2ej2l_k:Cl-Nb-Tl,88.0,A15B6C_oP88_51_efgijk5l_2ej2l_k:Cl-Nb-Tl +mp-1210200,Nb3Tl2Cl9,-5.3024388675,-1.6120080565,0.0,-0.0218012006,GGA,C2/m,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Nb-Tl,28.0,A9B3C2_mC56_12_g2i3j_ij_j:Cl-Nb-Tl +mp-1210132,Nb3TlCuCl9,-5.3252789011,-1.5108078385,0.0347662635,0.0347662635,GGA,P-1,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Tl,28.0,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Tl +mp-1357031,Nb3TlCuCl9,-3.0040400961,0.8104309665,2.3560050685,2.3560050685,GGA,P-1,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Tl,28.0,A9BC3D_aP28_2_9i_i_3i_i:Cl-Cu-Nb-Tl +mp-1209881,NbTlCl6,-4.5961556806,-1.6517596623,0.0,-0.0135711217,GGA,C2/c,A6BC_mC32_15_3f_c_e:Cl-Nb-Tl,16.0,A6BC_mC32_15_3f_a_e:Cl-Nb-Tl +mp-1221903,Mn7Ni8Sn,-7.2185088894,-0.0694606182,0.0339175763,0.0339175763,GGA,R-3m,A7B8C_hR48_166_a3c_4c_b:Mn-Ni-Sn,16.0,"Invalid WP multiplicities - A7B8C_hR48_166_a6c_8c_b:Mn-Ni-Sn, expected Mn13Ni16Sn to be Mn7Ni8Sn" +mp-1221389,Mn5Ni8Sn3,-6.6300928969,-0.1251000553,0.0308802054,0.0308802054,GGA,R-3m,A5B8C3_hR48_166_a2c_4c_bc:Mn-Ni-Sn,16.0,"Invalid WP multiplicities - A5B8C3_hR48_166_a3c_7c_b2c:Mn-Ni-Sn, expected Mn7Ni14Sn5 to be Mn5Ni8Sn3" +mp-1221922,Mn3Ni3Sn2,-6.6983038188,-0.0926038655,0.070408138,0.070408138,GGA,R3m,A3B3C2_hR24_160_3a_3a_2a:Mn-Ni-Sn,8.0,A3B3C2_hR24_160_3a_3a_2a:Mn-Ni-Sn +mp-1221827,Mn3Ni4Sn,-6.9234451262,-0.0964245698,0.0332546577,0.0332546577,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Mn-Ni-Sn,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_ac_3c_b:Mn-Ni-Sn, expected Mn3Ni6Sn to be Mn3Ni4Sn" +mp-20440,MnNi2Sn,-6.35405348,-0.1710883532,0.0111929405,0.0111929405,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Mn-Ni-Sn +mp-1221821,Mn2NiSn,-6.961320935,0.0671138448,0.187431832,0.187431832,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Ni-Sn,4.0,A2BC_cF16_216_ac_b_d:Mn-Ni-Sn +mp-1221685,MnCr(Ni2Sn)2,-6.3511248988,-0.1067807497,0.075500544,0.075500544,GGA,R-3m,ABC4D2_hR24_166_a_b_2c_c:Cr-Mn-Ni-Sn,8.0,"Invalid WP multiplicities - ABC4D2_hR24_166_a_b_3c_c:Cr-Mn-Ni-Sn, expected MnCr(Ni3Sn)2 to be MnCr(Ni2Sn)2" +mp-1113971,Rb2LiTmCl6,-4.411295939,-2.4675912995,0.0,-0.0052216332,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tm +mp-570542,LiTm2Cl5,-4.6055061625,-2.0925965358,0.2455284597,0.2455284597,GGA,C2/c,A5BC2_mC32_15_e2f_c_f:Cl-Li-Tm,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_2e8f_a_f:Cl-Li-Tm, expected LiTm2Cl18 to be LiTm2Cl5" +mp-1097585,NaLi2Tl,-0.978632215,0.8971213284,1.0793332965,1.0793332965,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Na-Tl,4.0,A2BC_oI8_71_e_a_b:Li-Na-Tl +mp-1111474,Na2LiTlCl6,-3.385578402,-1.584794746,0.1371101335,0.1371101335,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tl +mp-1096278,NaLiTl2,-1.0787148075,0.9104688059,1.0816026163,1.0816026163,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Na-Tl,4.0,ABC2_oI8_71_a_b_e:Li-Na-Tl +mp-27300,RbAuBr3,-3.018250017,-1.2355498045,0.0,-0.01013685,GGA,C2/m,AB3C_mC20_12_ad_ij_i:Au-Br-Rb,10.0,AB3C_mC20_12_ac_ij_i:Au-Br-Rb +mp-1110999,RbAuBr3,-2.971952624,-1.1892524115,0.046297393,0.036160543,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Br-Rb,5.0,AB3C_cP5_221_b_c_a:Au-Br-Rb +mp-1114110,Rb3AuBr6,-2.927558962,-1.3741935422,0.159150566,0.159150566,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Br-Rb,10.0,AB6C3_cF40_225_a_e_bc:Au-Br-Rb +mp-1097459,Rb2AuBr,-2.4546566275,-0.7576620088,0.4145186775,0.4145186775,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Br-Rb,4.0,ABC2_oI8_71_a_b_e:Au-Br-Rb +mp-1209453,Rb3Au3Br8,-3.0460339129,-1.2469285659,0.004137008,0.004137008,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-Br-Rb,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-Br-Rb +mp-30996,RbAuBr4,-2.9196314267,-1.1752098612,0.0,-0.0717414575,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Au-Br-Rb,12.0,AB4C_mP12_14_a_2e_d:Au-Br-Rb +mp-1111714,Rb2ScAuBr6,-3.820918863,-1.73235994,0.1048276578,0.1048276578,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Sc +mp-1105922,Ba2DyGaTe5,-4.5421010261,-1.5210607806,0.016173871,0.016173871,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-Ga-Te,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-Ga-Te +mp-17927,Ba(DyTe2)2,-5.1686960525,-1.7821571677,0.0,-0.0228456568,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Dy-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Dy-Te +mp-1111721,Rb2AsAuBr6,-3.176271257,-1.255047404,0.0454049197,0.0454049197,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-Rb +mp-1226161,Cs2BrCl,-3.422262985,-2.1241705515,0.05072865,0.05072865,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Br-Cl-Cs,4.0,ABC2_tP4_123_a_c_e:Br-Cl-Cs +mp-1225710,Cu4Br3Cl,-3.272016435,-0.4089603938,0.1826199425,0.1826199425,GGA,I4/mmm,A3BC4_tI16_139_ad_b_ce:Br-Cl-Cu,8.0,"Invalid WP multiplicities - A3BC4_tI16_139_a2d_b_2c2e:Br-Cl-Cu, expected Cu8Br5Cl to be Cu4Br3Cl" +mp-1225692,Cu4BrCl3,-3.4087846688,-0.471851545,0.1837468138,0.1837468138,GGA,P4/mmm,AB3C4_tP8_123_a_bh_cdg:Br-Cl-Cu,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2h_cd2g:Br-Cl-Cu, expected Cu6BrCl5 to be Cu4BrCl3" +mp-1225798,Cu2BrCl,-3.3375023525,-0.43750777,0.1860815775,0.1860815775,GGA,R-3m,ABC2_hR12_166_a_b_c:Br-Cl-Cu,4.0,ABC2_hR12_166_a_b_c:Br-Cl-Cu +mp-1226412,Cs2CuBrCl3,-3.4945190857,-1.6389976966000002,0.0389599368,0.0389599368,GGA,I4mm,AB3C2D_tI14_107_a_ab_2a_a:Br-Cl-Cs-Cu,7.0,AB3C2D_tI14_107_a_ab_2a_a:Br-Cl-Cs-Cu +mp-1222191,Mn4Cr(GaCo2)5,-6.8428484560000005,-0.216610121,0.0057875092,0.0057875092,GGA,R-3m,A10BC5D4_hR60_166_5c_a_b2c_2c:Co-Cr-Ga-Mn,20.0,"Invalid WP multiplicities - A10BC5D4_hR60_166_10c_a_b4c_3c:Co-Cr-Ga-Mn, expected Mn6CrGa9Co20 to be Mn4Cr(GaCo2)5" +mp-567981,CrGaCo2,-6.84386955,-0.1194247794,0.0215765963,0.0215765963,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Cr-Ga,4.0,A2BC_cF16_225_c_a_b:Co-Cr-Ga +mp-1113464,Rb2PrAuCl6,-4.121129369,-2.010421783,0.1450343424,0.1450343424,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Pr-Rb +mp-1210066,NaLaAgTe4,-4.1912288057,-1.096327095,0.0,-0.0240056579,GGA,Pmmn,ABCD4_oP14_59_b_a_a_2a2b:Ag-La-Na-Te,14.0,ABCD4_oP14_59_b_a_a_2a2b:Ag-La-Na-Te +mp-1097413,NaLaAg2,-1.5407782,1.4401329013,1.6656948684,1.6656948684,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-La-Na,4.0,A2BC_oI8_71_e_a_b:Ag-La-Na +mp-1111781,CsRb2GaBr6,-3.203706504,-1.683432852,0.1467960607,0.1467960607,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cs-Ga-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cs-Ga-Rb +mp-1112518,Cs2RbGaBr6,-3.25920318,-1.7474426981,0.0876467747,0.0876467747,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Rb +mp-1111448,Na3AsCl6,-3.543290228,-1.5714988035,0.1652872023,0.1652872023,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Cl-Na,10.0,AB6C3_cF40_225_a_e_bc:As-Cl-Na +mp-1111543,Na2AgAsCl6,-3.440309606,-1.3175151105,0.1441240623,0.1441240623,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Na +mp-8411,Na2AgAs,-2.9161414537,-0.3819602049,0.0,-0.0782275918,GGA,Cmcm,ABC2_oC16_63_a_c_g:Ag-As-Na,8.0,ABC2_oC16_63_a_c_g:Ag-As-Na +mp-22061,In(TeMo)3,-6.6227472293,-0.234382695,0.1555707138,0.1555707138,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:In-Mo-Te,14.0,AB3C3_hP14_176_c_h_h:In-Mo-Te +mp-1219866,RbIn(TeMo)6,-6.5759033057,-0.3140494612,0.1937759343,0.1937759343,GGA,P-6,AB6CD6_hP14_174_a_jk_d_jk:In-Mo-Rb-Te,14.0,AB6CD6_hP14_174_a_jk_d_jk:In-Mo-Rb-Te +mp-975237,Rb(TeMo)3,-6.6263046,-0.4909614454,0.0616524396,0.0616524396,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Rb-Te,14.0,A3BC3_hP14_176_h_c_h:Mo-Rb-Te +mp-22255,RbInTe2,-3.41744159,-0.9127341927,0.0,-0.1314741245,GGA,I4/mcm,ABC2_tI16_140_b_a_h:In-Rb-Te,8.0,ABC2_tI16_140_b_a_h:In-Rb-Te +mp-685977,Gd5AgSe8,-9.1695590314,-1.9423833868,0.0250716103,0.0250716103,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Gd-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_4g:Ag-Gd-Se, expected Gd9AgSe16 to be Gd5AgSe8" +mp-1191228,CsGd2Ag3Se5,-6.3559866191,-1.3537255054,0.0,-0.0427134534,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Gd-Se,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Gd-Se +mp-582282,GdAgSe2,-7.4007190913,-1.4255937916,0.0189812859,0.0189812859,GGA,I4_1md,ABC2_tI16_109_a_a_2a:Ag-Gd-Se,8.0,ABC2_tI16_109_a_a_2a:Ag-Gd-Se +mp-1097028,GdAgSe2,-7.4079495275,-1.4328242278,0.0117508497,0.0117508497,GGA,P-3m1,ABC2_hP4_164_a_b_d:Ag-Gd-Se,4.0,ABC2_hP4_164_a_b_d:Ag-Gd-Se +mp-1221690,MnCdSe4,-4.6243517417,-0.6129265812,0.0177140525,0.0177140525,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Cd-Mn-Se,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Cd-Mn-Se, expected MnCdSe8 to be MnCdSe4" +mp-3772,Cd(GaSe2)2,-3.8853317457,-0.8906563578000001,0.0,-0.0186953146,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cd-Ga-Se,7.0,AB2C4_tI14_82_a_bc_g:Cd-Ga-Se +mp-33397,Cd(GaSe2)2,-3.5763736157,-0.5816982278,0.30895813,0.2902628154,GGA,I-4m2,AB2C4_tI14_119_a_bc_ef:Cd-Ga-Se,7.0,"Invalid WP multiplicities - AB2C4_tI14_119_a_bc_2e2f:Cd-Ga-Se, expected Cd(GaSe4)2 to be Cd(GaSe2)2" +mp-1227014,Cd2Ga2Se5,-3.6942498344,-0.8740799507,0.0087889333,0.0087889333,GGA,P2_1,A2B2C5_mP18_4_2a_2a_5a:Cd-Ga-Se,18.0,"Invalid WP multiplicities - A2B2C5_mP18_4_4a_3a_10a:Cd-Ga-Se, expected Cd4Ga3Se10 to be Cd2Ga2Se5" +mp-1221646,MnCdSe2,-5.0022627625,-0.7330807607000001,0.0,-0.00864127,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cd-Mn-Se,4.0,ABC2_hP4_156_a_b_ab:Cd-Mn-Se +mp-1221886,MnCd(GaSe2)4,-4.4417159557,-0.8585316012,0.00189004,0.00189004,GGA,P-4,AB4CD8_tP14_81_a_bcg_d_2h:Cd-Ga-Mn-Se,14.0,"Invalid WP multiplicities - AB4CD8_tP14_81_a_bcg_d_7h:Cd-Ga-Mn-Se, expected MnCd(GaSe7)4 to be MnCd(GaSe2)4" +mp-1220095,NdTl2InTe4,-3.9487946662,-0.8465020376,0.0840656275,0.0840656275,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:In-Nd-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:In-Nd-Te-Tl +mp-999319,NdTlTe2,-4.6408055525,-1.286454961,0.0,-0.0478366586,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Nd-Te-Tl +mp-1186261,Nd2TlIn,-4.098872725,-0.4362172896,0.004129275,0.004129275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Nd-Tl,4.0,AB2C_cF16_225_a_c_b:In-Nd-Tl +mp-1207323,Nd3TlTe6,-2.714482294,0.8382097864,2.2765696415,2.2765696415,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Nd-Te-Tl,10.0,A3B6C_oC20_65_de_kp_a:Nd-Te-Tl +mp-1190996,CsGd2Cu3Se5,-6.6851344714,-1.3374231759,0.0,-0.029356393,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Gd-Se,22.0,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Gd-Se +mp-570983,Sr4Sn2Se9,-4.6028465247,-1.5201584699,0.0061217043,0.0061217043,GGA,Pbam,A9B2C4_oP60_55_e3g3hi_gh_2i:Se-Sn-Sr,60.0,"Invalid WP multiplicities - A9B2C4_oP60_55_2e10g12h6i_gh_7i:Se-Sn-Sr, expected Sr7SnSe18 to be Sr4Sn2Se9" +mp-1103379,Cs2SnSe3,-3.8813514858,-1.1666663138,0.0,-0.1523082565,GGA,C2/m,A2B3C_mC24_12_2i_g2i_i:Cs-Se-Sn,12.0,A2B3C_mC24_12_2i_g2i_i:Cs-Se-Sn +mp-1181839,Cs4Sr(SnSe3)3,-4.0815552035,-1.2131421561,0.0,-0.0008107896,GGA,R3,A4B9C3D_hR51_146_ab_3b_b_a:Cs-Se-Sn-Sr,17.0,A4B9C3D_hR51_146_ab_3b_b_a:Cs-Se-Sn-Sr +mp-613162,CsSnSe3,-4.043477457,-0.964935725,0.003953939,-0.0239401085,GGA,P-1,AB3C_aP10_2_i_3i_i:Cs-Se-Sn,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Cs-Se-Sn, expected CsSnSe5 to be CsSnSe3" +mp-1542038,CsSnSe3,-4.047431396,-0.968889664,0.0,-0.0278940475,GGA,P-1,AB3C_aP10_2_i_3i_i:Cs-Se-Sn,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Cs-Se-Sn, expected CsSnSe5 to be CsSnSe3" +mp-568525,Sr2SnSe5,-4.5759691731,-1.4674546544,0.0,-0.0423060889,GGA,P2_12_12,A5BC2_oP64_18_2a2b8c_2c_4c:Se-Sn-Sr,64.0,"Invalid WP multiplicities - A5BC2_oP64_18_4a4b29c_5c_12c:Se-Sn-Sr, expected Sr12Sn5Se33 to be Sr2SnSe5" +mp-579556,CsHoZnTe3,-3.9989465625,-1.3043678072,0.0,-0.067312726,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Ho-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_2c2f_c:Cs-Ho-Te-Zn, expected CsHoZnTe6 to be CsHoZnTe3" +mp-1222429,Lu(MnGa)6,-6.0646320546,-0.0906614079,0.1284569376,0.1284569376,GGA,Fmmm,A6BC6_oF52_69_dm_a_em:Ga-Lu-Mn,13.0,A6BC6_oF52_69_dm_a_em:Ga-Lu-Mn +mp-28516,LuMnGe2,-6.2419106837000005,-0.5096553032,0.0084587069,0.0084587069,GGA,Cmmm,A2BC_oC48_65_ghijn_in_km:Ge-Lu-Mn,24.0,A2BC_oC48_65_ghijn_in_km:Ge-Lu-Mn +mp-1222359,LuMn6GaGe5,-6.8871116254,-0.2997056585,0.0073610825,0.0073610825,GGA,P6mm,AB5CD6_hP13_183_a_a2b_a_2c:Ga-Ge-Lu-Mn,13.0,AB5CD6_hP13_183_a_a2b_a_2c:Ga-Ge-Lu-Mn +mp-1222746,Lu4MnGe8,-5.4470813631,-0.5063090391,0.0547290719,0.0547290719,GGA,Pmm2,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Mn,13.0,A8B4C_oP13_25_2a2b2c2d_abcd_a:Ge-Lu-Mn +mp-3400,Lu(MnGe)6,-7.0327157785,-0.3226227475,0.0,-0.0730089715,GGA,P6/mmm,A6BC6_hP13_191_cde_a_i:Ge-Lu-Mn,13.0,A6BC6_hP13_191_cde_a_i:Ge-Lu-Mn +mp-13405,Lu(MnGe)2,-6.870786714,-0.4525793512,0.0,-0.0297049942,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Lu-Mn,5.0,A2BC2_tI10_139_e_a_d:Ge-Lu-Mn +mp-1222834,Lu3(MnGa2)2,-5.21700743,-0.3282000707,0.1434423252,0.1434423252,GGA,P-62m,A4B3C2_hP9_189_ag_f_d:Ga-Lu-Mn,9.0,"Invalid WP multiplicities - A4B3C2_hP9_189_a2g_f_d:Ga-Lu-Mn, expected Lu3Mn2Ga7 to be Lu3(MnGa2)2" +mp-1181068,InCu3PbSe4,-3.9506688911,-0.3122692555,0.2513596553,0.2513596553,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-In-Pb-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-In-Pb-Se +mp-4081,TaCu3Se4,-5.5181155362,-0.7507350924,0.0,-0.1245766631,GGA,P-43m,A3B4C_cP8_215_c_e_b:Cu-Se-Ta,8.0,A3B4C_cP8_215_c_e_b:Cu-Se-Ta +mp-1218134,Ta2Cu(ReSe4)2,-6.8321017923,-0.6266319368000001,0.2378788689,0.2378788689,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:Cu-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:Cu-Re-Se-Ta +mp-1096513,Ta2CuRe,-5.725800015,4.3390222638,4.4980569288,4.4980569288,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Cu-Re-Ta +mp-1213635,Cu2(ReSe2)3,-6.5604249395,-0.5142918704,0.0700522293,0.0700522293,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Cu-Re-Se,44.0,A2B3C6_mC88_15_2ef_3f_6f:Cu-Re-Se +mp-1191200,Li2In2GeSe6,-4.1201329209,-0.9456138378,0.0170870442,0.0170870442,GGA,Cc,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Li-Se,22.0,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Li-Se +mp-1096020,Li2InGe,-1.6122293275,1.1859100021,1.4646579918,1.4646579918,GGA,Immm,ABC2_oI8_71_a_b_e:Ge-In-Li,4.0,ABC2_oI8_71_a_b_e:Ge-In-Li +mp-16343,LiInGe,-3.3216413367,-0.2270965194,0.0,-0.0398960192,GGA,F-43m,ABC_cF12_216_c_a_b:Ge-In-Li,3.0,ABC_cF12_216_c_a_b:Ge-In-Li +mp-17252,BaCu2GeSe4,-4.5426036679,-0.9520959122,0.0,-0.0111823368,GGA,P3_121,AB2CD4_hP24_152_a_c_b_2c:Ba-Cu-Ge-Se,24.0,"Invalid WP multiplicities - AB2CD4_hP24_152_a_c_b_6c:Ba-Cu-Ge-Se, expected BaCu2GeSe12 to be BaCu2GeSe4" +mp-669542,Ba4Cu3Ge20,-4.4393975528,-0.2751724835,0.0,-0.0340037862,GGA,Pm-3n,A4B3C20_cP54_223_ac_d_ik:Ba-Cu-Ge,54.0,"Invalid WP multiplicities - A4B3C20_cP54_223_a2c_d_11i12k:Ba-Cu-Ge, expected Ba7Cu3Ge232 to be Ba4Cu3Ge20" +mp-11145,BaCu9Ge4,-4.2385818886,-0.1454428607,0.0,-0.0191190983,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ba-Cu-Ge,28.0,"Invalid WP multiplicities - AB9C4_tI56_140_a_d2kl_l:Ba-Cu-Ge, expected BaCu13Ge4 to be BaCu9Ge4" +mp-1227964,BaCuGe,-3.89792485,-0.3508550283,0.0466288467,0.0466288467,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Cu-Ge,3.0,ABC_hP3_187_b_c_e:Ba-Cu-Ge +mp-5497,Er(CoGe)2,-6.210425148,-0.6043431260000001,0.0,-0.062724332,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Er-Ge,5.0,A2BC2_tI10_139_d_a_e:Co-Er-Ge +mp-1006352,Er2Co3Ge5,-5.9301979715,-0.5726449435000001,0.0,-0.0243385025,GGA,C2/c,A3B2C5_mC40_15_ef_f_3ef:Co-Er-Ge,20.0,A3B2C5_mC40_15_ef_f_3ef:Co-Er-Ge +mp-1225069,Er2AlCo3,-6.0418194817,-0.3408250092,0.0133943568,0.0133943568,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Co-Er,6.0,AB3C2_hR18_166_a_d_c:Al-Co-Er +mp-1095140,Er2CoGe2,-5.850800933,-0.7528387080000001,0.0,-0.006525306,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Er-Ge,10.0,AB2C2_mC20_12_i_2i_2i:Co-Er-Ge +mp-1225728,ErAlCo,-5.5400527125,-0.3995152342,0.0386780656,0.0386780656,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Er,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Er, expected Er3(AlCo)2 to be ErAlCo" +mp-1080067,ErCoGe2,-5.8342791813,-0.6037561025,0.0166309069,0.0166309069,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Er-Ge,8.0,ABC2_oC16_63_c_c_2c:Co-Er-Ge +mp-1078499,Er3(CoGe2)2,-5.8708507744,-0.7139726144,0.0007503411,0.0007503411,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Co-Er-Ge,9.0,A2B3C4_mC18_12_i_ai_2i:Co-Er-Ge +mp-1103894,Er(CoGe)6,-6.1176259846,-0.3517957762,0.0144458931,0.0144458931,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Co-Er-Ge,13.0,A6BC6_hP13_191_i_a_cde:Co-Er-Ge +mp-1095692,ErCoGe,-6.108411995,-0.6753905083,0.0,-0.0432860069,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Er-Ge,12.0,ABC_oP12_62_c_c_c:Co-Er-Ge +mp-1225045,Er2Al3Co,-5.041422835,-0.4613423508,0.03145498,0.0170632692,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Co-Er,6.0,A3BC2_hR18_166_d_a_c:Al-Co-Er +mp-567849,Er2Al3Co,-5.072877815,-0.4927973308,0.0,-0.0143917108,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Co-Er,12.0,A3BC2_hP12_194_h_a_f:Al-Co-Er +mp-1205920,Er3Al3CoGe2,-5.3262106044,-0.7379597794,0.0,-0.0527567441,GGA,P-62m,A3BC3D2_hP9_189_f_b_g_c:Al-Co-Er-Ge,9.0,A3BC3D2_hP9_189_f_b_g_c:Al-Co-Er-Ge +mp-1225582,ErCo3Ge2,-6.33774824,-0.4812935892,0.0223256825,0.0223256825,GGA,P6mm,A3BC2_hP6_183_c_a_b:Co-Er-Ge,6.0,A3BC2_hP6_183_c_a_b:Co-Er-Ge +mp-1212824,Er(Co2Ge)2,-6.4271981829,-0.39190594,0.0397677214,0.0397677214,GGA,P4_2/mnm,A4BC2_tP14_136_i_a_f:Co-Er-Ge,14.0,A4BC2_tP14_136_i_a_f:Co-Er-Ge +mp-1196873,Er3Co4Ge13,-5.5191718955,-0.4073824092,0.0042573853,0.0042573853,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-Er-Ge,40.0,A4B3C13_cP40_223_e_c_ak:Co-Er-Ge +mp-1206398,Er2CoGe6,-5.3476964133,-0.4608161306,0.0168434683,0.0168434683,GGA,Amm2,AB2C6_oC18_38_a_2b_4a2b:Co-Er-Ge,9.0,AB2C6_oC18_38_a_2b_4a2b:Co-Er-Ge +mp-1205974,Er2Al4CoGe2,-5.1314313978,-0.6345297928,0.0,-0.0398381314,GGA,I4/mmm,A4BC2D2_tI18_139_g_a_e_e:Al-Co-Er-Ge,9.0,A4BC2D2_tI18_139_g_a_e_e:Al-Co-Er-Ge +mp-1228454,Al2ZnSe4,-4.3002465743,-1.0524549771,0.0483189729,0.0217985764,GGA,Pm,A2B4C_mP7_6_2a_2a2b_b:Al-Se-Zn,7.0,A2B4C_mP7_6_2a_2a2b_b:Al-Se-Zn +mp-7907,Al2ZnSe4,-4.3485655471,-1.1007739499,0.0,-0.0265203964,GGA,I-4,A2B4C_tI14_82_ac_g_b:Al-Se-Zn,7.0,A2B4C_tI14_82_ac_g_b:Al-Se-Zn +mp-1104860,Al2ZnSe4,-4.31756131,-1.0697697128,0.0310042371,0.0044838407,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Al-Se-Zn,14.0,A2B4C_cF56_227_c_e_b:Al-Se-Zn +mp-1182859,AlZnCu3Se4,-3.9920686267,-0.5157813644,0.1680095708,0.1680095708,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Al-Cu-Se-Zn,9.0,AB3C4D_cP9_215_b_c_e_a:Al-Cu-Se-Zn +mp-1095936,AlZnCu2,-1.8695700625,1.4313631325,1.6013330282,1.6013330282,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Cu-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Cu-Zn +mp-1183151,AlZnCu2,-3.4551574475,-0.1542242525,0.0157456432,0.0157456432,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Zn +mp-11033,TbAl7Au3,-4.2124945868,-0.5147634132,0.0,-0.0357263485,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Tb,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Tb, expected TbAl13Au3 to be TbAl7Au3" +mp-11629,Tb2Al6Si4Au,-4.7562071623,-0.3933347546,0.0,-0.0094905569,GGA,R-3m,A6BC4D2_hR39_166_3c_a_2c_c:Al-Au-Si-Tb,13.0,"Invalid WP multiplicities - A6BC4D2_hR39_166_3c_a_4c_c:Al-Au-Si-Tb, expected Tb2Al6Si8Au to be Tb2Al6Si4Au" +mp-1078833,Tb(AlAu)2,-4.4506436780000005,-0.715987326,0.0,-0.0566859865,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Tb,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Tb +mp-569577,Tb(SiAu)2,-4.944277252,-0.53772402,0.0,-0.022516428,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Au-Si-Tb +mp-1095572,TbAlAu,-4.6751257517,-0.7905177750000001,0.0,-0.0704550362,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Tb,12.0,ABC_oP12_62_c_c_c:Al-Au-Tb +mp-1187645,YbCeCu2,-4.0707320625,-0.1529543688,0.0659563437,0.0659563437,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Cu-Yb,,AB2C_cF16_225_a_c_b:Ce-Cu-Yb +mp-20764,YbCeSe3,-5.616220937,-2.0241345634,0.055112552,0.055112552,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ce-Se-Yb,,AB3C_oC20_63_c_cf_a:Ce-Se-Yb +mp-641804,Yb11(Ce2Se11)2,-4.9916439559,-1.8138574638,0.1885673787,0.1885673787,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:Ce-Se-Yb,,"Invalid WP multiplicities - A4B22C11_mC74_12_3i_22i_a8i:Ce-Se-Yb, expected Yb17(Ce3Se22)2 to be Yb11(Ce2Se11)2" +mp-1215810,Yb(CuSe)3,-4.3476728093,-0.8726781346,0.0206638486,0.0206638486,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Se-Yb,,A3B3C_hR42_148_f_f_c:Cu-Se-Yb +mp-1100834,YbCuSe2,-4.3311995475,-1.1735400712,0.1670315133,0.1670315133,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Se-Yb,,AB2C_hP4_156_a_ab_c:Cu-Se-Yb +mp-1206775,YbCuSe2,-4.2926029175,-1.1349434412,0.2056281433,0.2056281433,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cu-Se-Yb,,AB2C_hP4_164_a_d_b:Cu-Se-Yb +mp-542881,Ce3(CuSn)4,-5.0139364191,-0.4471744586,0.0,-0.0150893506,GGA,Immm,A3B4C4_oI22_71_af_n_eh:Ce-Cu-Sn,11.0,A3B4C4_oI22_71_af_n_eh:Ce-Cu-Sn +mp-1206459,Ce2(CuSn)3,-2.7631749525,1.7608892831,2.185047794,2.185047794,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Ce-Cu-Sn,8.0,A2B3C3_tP8_123_g_ag_bg:Ce-Cu-Sn +mp-637204,CeCu5Sn,-4.5714858786,-0.22310097,0.0,-0.0182332257,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Ce-Cu-Sn,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_10c6d_c:Ce-Cu-Sn, expected CeCu22Sn to be CeCu5Sn" +mp-1190264,Ce5CuSn3,-5.5666218117,-0.4784698106,0.012025365,0.012025365,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ce-Cu-Sn,18.0,A5BC3_hP18_193_dg_b_g:Ce-Cu-Sn +mp-542806,Ce3CuSnSe7,-5.746908085,-1.5486225572,0.0033555519,0.0033555519,GGA,P6_3,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-Se-Sn,24.0,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-Se-Sn +mp-640286,CeCu4Sn,-4.4640580313000005,-0.0741434162,0.1808230246,0.1808230246,GGA,P2_1,AB4C_mP24_4_2a_8a_2a:Ce-Cu-Sn,24.0,"Invalid WP multiplicities - AB4C_mP24_4_4a_15a_3a:Ce-Cu-Sn, expected Ce4(Cu5Sn)3 to be CeCu4Sn" +mp-655580,CeCu4Sn,-4.353745115,0.0361695,0.2911359408,0.2911359408,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:Ce-Cu-Sn,24.0,"Invalid WP multiplicities - AB4C_oP24_19_a_12a_a:Ce-Cu-Sn, expected CeCu12Sn to be CeCu4Sn" +mp-1182855,CeCu4Sn,-4.4129356679,-0.0230210529,0.2319453879,0.2319453879,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:Ce-Cu-Sn,24.0,"Invalid WP multiplicities - AB4C_oP24_19_a_12a_a:Ce-Cu-Sn, expected CeCu12Sn to be CeCu4Sn" +mp-1215076,CeCu9Sn4,-4.1728204596,0.0317678693,0.1881281804,0.1881281804,GGA,I4/mcm,AB9C4_tI56_140_a_d2l_k:Ce-Cu-Sn,28.0,AB9C4_tI56_140_a_d2l_k:Ce-Cu-Sn +mp-22683,CeCuSn,-5.1586472967,-0.4780247367,0.0,-0.0406002165,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ce-Cu-Sn,6.0,ABC_hP6_186_a_b_b:Ce-Cu-Sn +mp-22761,CeCuSn,-5.14973178,-0.46910922,0.0089155167,-0.0316846998,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Cu-Sn,6.0,ABC_hP6_194_a_c_d:Ce-Cu-Sn +mp-1080173,Ce(CuSn)2,-4.7938924400000005,-0.363763199,0.008408133,0.008408133,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Cu-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Cu-Sn +mp-1006368,Ce2SnSe4,-5.8838792021,-1.6182511913000002,0.0743960216,0.0743960216,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ce-Se-Sn,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_3c_4c_c:Ce-Se-Sn, expected Ce3SnSe4 to be Ce2SnSe4" +mp-1111486,Rb2GdAgCl6,-5.169890319,-2.1737936842,0.010413259,0.010413259,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Gd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Gd-Rb +mp-1222826,Li2Zr6MnCl15,-5.8452483629,-2.0121602502,0.0040230499,0.0040230499,GGA,I4/mmm,A15B2CD6_tI48_139_bchn_d_a_ei:Cl-Li-Mn-Zr,24.0,"Invalid WP multiplicities - A15B2CD6_tI48_139_bc4h4n_d_a_2e2i:Cl-Li-Mn-Zr, expected Li2Zr12MnCl51 to be Li2Zr6MnCl15" +mp-531376,Li4Mn3Cl10,-4.9431685799,-1.7898095244,0.0072805013,0.0072805013,GGA,Cm,A10B4C3_mC136_8_20a10b_16a_2a5b:Cl-Li-Mn,68.0,"Invalid WP multiplicities - A10B4C3_mC136_8_20a16b_16a_2a10b:Cl-Li-Mn, expected Li8Mn11Cl26 to be Li4Mn3Cl10" +mp-34148,Li2MnCl4,-4.7663177943,-1.8557452707,0.00607509,0.00607509,GGA,Imma,A4B2C_oI28_74_hi_ae_c:Cl-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2hi_a2e_c:Cl-Li-Mn, expected Li3MnCl6 to be Li2MnCl4" +mp-1113974,Rb2LiTbCl6,-4.421404044,-2.4618463368,0.0056910284,0.0056910284,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Tb +mp-989511,Cs2AsBrCl6,-3.354014427,-1.4445972831,0.0562126755,0.0562126755,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Br-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:As-Br-Cl-Cs +mp-1219643,Rb3Br2Cl,-3.4391362467,-2.1231036571,0.0055508333,0.0055508333,GGA,I4/mmm,A2BC3_tI12_139_e_a_be:Br-Cl-Rb,6.0,"Invalid WP multiplicities - A2BC3_tI12_139_e_a_b2e:Br-Cl-Rb, expected Rb5Br2Cl to be Rb3Br2Cl" +mp-571638,Rb2Cu(BrCl)2,-3.4431565921,-1.6055273357000002,0.0,-0.0057140179,GGA,Cmce,A2B2CD2_oC28_64_d_f_a_d:Br-Cl-Cu-Rb,14.0,A2B2CD2_oC28_64_d_f_a_d:Br-Cl-Cu-Rb +mp-1219782,Rb2CuBrCl3,-3.5294186086,-1.6495738764,0.0042360034,0.0042360034,GGA,Aea2,AB3CD2_oC28_41_a_ab_a_2a:Br-Cl-Cu-Rb,14.0,AB3CD2_oC28_41_a_ab_a_2a:Br-Cl-Cu-Rb +mp-12494,CsPrCdTe3,-3.9878316592,-1.316312398,0.0,-0.0556816799,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Pr-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Pr-Te +mp-1111720,Rb2BiAuBr6,-3.210566761,-1.3712058355,0.0846010649,0.0846010649,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-Rb +mp-1222167,Mn3Ni4Sb,-6.9310513962,-0.0891021667,0.0703165903,0.0703165903,GGA,Pmma,A3B4C_oP16_51_aef_hk_b:Mn-Ni-Sb,16.0,A3B4C_oP16_51_aef_hk_b:Mn-Ni-Sb +mp-1221776,Mn3Ni4Sb,-6.95043654,-0.1084873105,0.0509314465,0.0509314465,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Mn-Ni-Sb,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_ac_4c_b:Mn-Ni-Sb, expected Mn3Ni8Sb to be Mn3Ni4Sb" +mp-1221333,MnNiSb2,-6.0156563825,-0.2156177695,0.0395742444,0.0395742444,GGA,P-3m1,ABC2_hP4_164_a_b_d:Mn-Ni-Sb,4.0,ABC2_hP4_164_a_b_d:Mn-Ni-Sb +mp-1206364,Mn2NiSb,-7.04794635,0.010345776,0.213567548,0.213567548,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Ni-Sb,4.0,A2BC_cF16_216_ac_b_d:Mn-Ni-Sb +mp-1226212,CrNiSb2,-6.0718476575,-0.149051,0.0949340175,0.0949340175,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Ni-Sb,4.0,ABC2_hP4_164_a_b_d:Cr-Ni-Sb +mp-1221891,Mn2CrNiSb2,-6.7210172667,0.2815189357,0.4591182758,0.4591182758,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Cr-Mn-Ni-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Cr-Mn-Ni-Sb +mp-1226332,Cr3NiSb4,-6.4746765888,-0.0677660825,0.08126366,0.08126366,GGA,P-3m1,A3BC4_hP8_164_ac_b_2d:Cr-Ni-Sb,8.0,"Invalid WP multiplicities - A3BC4_hP8_164_ac_b_4d:Cr-Ni-Sb, expected Cr3NiSb8 to be Cr3NiSb4" +mp-1221566,MnNi2Sb,-6.264354555,-0.051532082,0.1836038775,0.1836038775,GGA,F-43m,AB2C_cF16_216_a_bc_d:Mn-Ni-Sb,4.0,AB2C_cF16_216_a_bc_d:Mn-Ni-Sb +mp-5124,MnNi2Sb,-6.37973313,-0.166910657,0.0682253025,0.0682253025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ni-Sb,4.0,AB2C_cF16_225_a_c_b:Mn-Ni-Sb +mp-600124,MnNiSb,-6.6280134333,-0.2709623626,0.0,-0.0264975726,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Mn-Ni-Sb +mp-22541,MnNiSb,-6.3071370833,0.0499139874,0.32087635,0.2943787774,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Ni-Sb,3.0,ABC_cF12_216_c_a_b:Mn-Ni-Sb +mp-1018161,CrNiSb,-6.61080059,-0.0900721267,0.1543926633,0.1543926633,GGA,F-43m,ABC_cF12_216_a_c_b:Cr-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Cr-Ni-Sb +mp-1221652,MnCrSb,-7.4759032217,0.1721181124,0.25635443,0.25635443,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cr-Mn-Sb,6.0,ABC_hP6_194_c_a_d:Cr-Mn-Sb +mp-1226284,CrNi3Sb4,-5.7021747063,-0.2634918975,0.0418492037,0.0418492037,GGA,P-3m1,AB3C4_hP8_164_a_bc_2d:Cr-Ni-Sb,8.0,"Invalid WP multiplicities - AB3C4_hP8_164_a_bc_4d:Cr-Ni-Sb, expected CrNi3Sb8 to be CrNi3Sb4" +mp-1221668,MnCrSb2,-6.8288727125,-0.060606402,0.0155736144,0.0155736144,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Mn-Sb,4.0,ABC2_hP4_164_a_b_d:Cr-Mn-Sb +mp-28463,LiNb3Cl8,-5.6769151473,-1.7601542084,0.0,-0.0059913623,GGA,Cmce,A8BC3_oC96_64_d3f2g_f_d2f:Cl-Li-Nb,48.0,"Invalid WP multiplicities - A8BC3_oC96_64_d5f6g_f_d3f:Cl-Li-Nb, expected Li(Nb2Cl9)2 to be LiNb3Cl8" +mp-29985,LiNb6Cl19,-5.53864995,-1.7833057328000002,0.0,-0.026006783,GGA,Pmma,A19BC6_oP52_51_e2i2jk2l_b_il:Cl-Li-Nb,52.0,"Invalid WP multiplicities - A19BC6_oP52_51_e2i3jk2l_b_il:Cl-Li-Nb, expected Li(Nb2Cl7)3 to be LiNb6Cl19" +mp-570869,LiNb3InCl9,-5.3643552043,-1.6785443717,0.0,-0.0042998173,GGA,P-1,A9BCD3_aP28_2_9i_i_i_3i:Cl-In-Li-Nb,28.0,"Invalid WP multiplicities - A9BCD3_aP28_2_18i_i_i_5i:Cl-In-Li-Nb, expected LiNb5InCl18 to be LiNb3InCl9" +mp-661279,LiNb3InCl9,-3.0673231093,0.6184877233,2.297032095,2.2927322777,GGA,P-1,A9BCD3_aP28_2_9i_i_i_3i:Cl-In-Li-Nb,28.0,"Invalid WP multiplicities - A9BCD3_aP28_2_18i_i_i_5i:Cl-In-Li-Nb, expected LiNb5InCl18 to be LiNb3InCl9" +mp-651907,Nb6InCl15,-5.7807936374,-1.6404498251,0.0,-0.013474125,GGA,Pmma,A15BC6_oP88_51_efgijk5l_k_2ej2l:Cl-In-Nb,88.0,"Invalid WP multiplicities - A15BC6_oP88_51_2e2f4g4i4j3k35l_k_4e4j13l:Cl-In-Nb, expected Nb32InCl87 to be Nb6InCl15" +mp-686087,Li3(Nb2Cl5)8,-5.8015358752,-1.7118898474000002,0.012024317,0.012024317,GGA,P1,A40B3C16_aP177_1_120a_9a_48a:Cl-Li-Nb,177.0,A40B3C16_aP177_1_120a_9a_48a:Cl-Li-Nb +mp-1221649,MnCoNiSn,-6.6291282075,-0.114117802,0.0396623167,0.0396623167,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Co-Mn-Ni-Sn,4.0,ABCD_cF16_216_a_c_b_d:Co-Mn-Ni-Sn +mp-20237,CoNiSn,-5.6506230517,-0.0179476083,0.1510473144,0.1510473144,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Ni-Sn,6.0,ABC_hP6_194_a_c_d:Co-Ni-Sn +mp-1226203,CoNi2Sn,-5.6224406375,0.047100115,0.2211740431,0.2211740431,GGA,P3m1,AB2C_hP12_156_3a_a2b3c_2bc:Co-Ni-Sn,12.0,AB2C_hP12_156_3a_a2b3c_2bc:Co-Ni-Sn +mp-2646918,Cs4Cu(SbCl6)2,-3.7397492153,-1.7333671859000002,0.0,-0.0026152689,GGA,C2/m,A12B4CD2_mC38_12_2i2j_2i_a_i:Cl-Cs-Cu-Sb,38.0,A12B4CD2_mC38_12_2i2j_2i_a_i:Cl-Cs-Cu-Sb +mp-1111461,Cs2CuSbCl6,-3.723815084,-1.6127918226,0.036211916,0.036211916,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sb +mp-9437,NbFeSb,-7.9688467167,-0.4020708867,0.0,-0.1351730908,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Nb-Sb,3.0,ABC_cF12_216_c_a_b:Fe-Nb-Sb +mp-1224896,FeSb6Pd,-5.1364408256,-0.3334520181,0.0,-0.0702152791,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:Fe-Pd-Sb,16.0,ABC6_mC32_12_e_f_2i2j:Fe-Pd-Sb +mp-1220512,Nb8Fe2Sb4Pd,-8.21793326,-0.2548419593,0.114049782,0.114049782,GGA,I-42m,A2B8CD4_tI30_121_c_j_a_i:Fe-Nb-Pd-Sb,15.0,A2B8CD4_tI30_121_c_j_a_i:Fe-Nb-Pd-Sb +mp-1215434,ZnSnAs2,-3.8377541925,-0.1908661237,0.001350705,-0.0652814263,GGA,P-4m2,A2BC_tP4_115_g_a_c:As-Sn-Zn,4.0,A2BC_tP4_115_g_a_c:As-Sn-Zn +mp-5190,ZnSnAs2,-3.8391048975,-0.1922168287,0.0,-0.0666321313,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Sn-Zn,8.0,A2BC_tI16_122_d_a_b:As-Sn-Zn +mp-1215503,ZnSnAs2,-3.800905595,-0.1540175263,0.0381993025,-0.0284328288,GGA,R3m,A2BC_hR12_160_2a_a_a:As-Sn-Zn,4.0,A2BC_hR12_160_2a_a_a:As-Sn-Zn +mp-1215606,ZnInSnAs3,-3.8596829583,-0.1932905567,0.0110748383,0.0110748383,GGA,Cm,A3BCD_mC12_8_3a_a_a_a:As-In-Sn-Zn,,A3BCD_mC12_8_3a_a_a_a:As-In-Sn-Zn +mp-1215411,ZnIn2SnAs4,-3.88305226,-0.2069076919,0.0035319863,0.0035319863,GGA,I-42m,A4B2CD_tI16_121_i_d_a_b:As-In-Sn-Zn,8.0,A4B2CD_tI16_121_i_d_a_b:As-In-Sn-Zn +mp-1114106,Rb3InBr6,-3.237556417,-1.7364108242,0.0576820855,0.0576820855,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-In-Rb,10.0,A6BC3_cF40_225_e_a_bc:Br-In-Rb +mp-1209271,RbInBr4,-3.2671797175,-1.6097911971,0.0,-0.0503830483,GGA,Pnna,A4BC_oP24_52_2e_c_d:Br-In-Rb,24.0,A4BC_oP24_52_2e_c_d:Br-In-Rb +mp-998194,RbInBr3,-3.213021126,-1.5347605675,0.0413263335,0.0413263335,GGA,Cm,A3BC_mC10_8_ab_a_a:Br-In-Rb,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:Br-In-Rb, expected RbInBr5 to be RbInBr3" +mp-998800,RbInBr3,-3.219485888,-1.5412253295,0.0348615715,0.0348615715,GGA,R3c,A3BC_hR30_161_b_a_a:Br-In-Rb,10.0,A3BC_hR30_161_b_a_a:Br-In-Rb +mp-1110737,RbInBr3,-3.229154639,-1.5508940805,0.0251928205,0.0251928205,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:Br-In-Rb,10.0,A3BC_cF40_225_e_ab_c:Br-In-Rb +mp-1114132,Rb2ScInBr6,-3.936399131,-1.900060035,0.0313977465,0.0313977465,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Sc +mp-17660,SrPrCuSe3,-5.2788980513,-1.7693413327,0.0,-0.0196203971,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Pr-Se-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Pr-Se-Sr +mp-37859,Sr(PrSe2)2,-5.8171060007,-2.2121130187,0.0,-0.0062302366,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-Se-Sr,14.0,A2B4C_tI28_122_d_e_a:Pr-Se-Sr +mp-35031,Pr5CuSe8,-5.9001724443,-1.9022419253,0.0685273966,0.0685273966,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Cu-Pr-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_5g:Cu-Pr-Se, expected Pr9CuSe20 to be Pr5CuSe8" +mp-11792,PrCuSe2,-5.4434057437,-1.4754218987,0.0,-0.0100096404,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Pr-Se,16.0,ABC2_mP16_14_e_e_2e:Cu-Pr-Se +mp-569114,BaAg2SnSe4,-4.1668447063,-0.9696816172,0.0,-0.0297884099,GGA,I222,A2BC4D_oI16_23_f_a_k_b:Ag-Ba-Se-Sn,8.0,A2BC4D_oI16_23_f_a_k_b:Ag-Ba-Se-Sn +mp-7882,Ba(AgSn)2,-3.522686284,-0.4020401527,0.0,-0.0514594127,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Ba-Sn,5.0,A2BC2_tI10_139_d_a_e:Ag-Ba-Sn +mp-1226868,Cs3Sm7Se12,-5.593091867,-2.0627624219,0.0,-0.0887179838,GGA,Pmn2_1,A3B12C7_oP44_31_3a_12a_7a:Cs-Se-Sm,44.0,"Invalid WP multiplicities - A3B12C7_oP44_31_4a_18a_10a:Cs-Se-Sm, expected Cs2Sm5Se9 to be Cs3Sm7Se12" +mp-38125,Sm2CdSe4,-5.1681983257,-1.6905257628,0.1051448711,0.1051448711,GGA,I-42d,AB4C2_tI28_122_a_e_d:Cd-Se-Sm,14.0,AB4C2_tI28_122_a_e_d:Cd-Se-Sm +mp-510062,CsSmCdSe3,-4.4340779442,-1.5966424942000002,0.0,-0.0587425012,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Sm,12.0,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Sm +mp-675223,La4Ag2Se7,-5.6000923204,-1.7631291842,0.0869237266,0.0869237266,GGA,Pc,A2B4C7_mP26_7_2a_4a_7a:Ag-La-Se,26.0,"Invalid WP multiplicities - A2B4C7_mP26_7_3a_6a_14a:Ag-La-Se, expected La6Ag3Se14 to be La4Ag2Se7" +mp-17155,La3AgSnSe7,-5.5192518629,-1.6757910698,0.0,-0.0077340882,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-Se-Sn,24.0,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-Se-Sn +mp-1223033,LaAgSn,-4.3301350517,-0.4040900639,0.1864970547,0.1864970547,GGA,P-3m1,ABC_hP6_164_d_c_d:Ag-La-Sn,6.0,ABC_hP6_164_d_c_d:Ag-La-Sn +mp-33775,La5AgSe8,-6.0448093164,-2.0819605057,0.0162613881,0.0162613881,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-La-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_5g:Ag-La-Se, expected La9AgSe20 to be La5AgSe8" +mp-974463,LaAg2Sn,-4.0734856175,-0.4208128758,0.0420727729,0.0420727729,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-La-Sn,4.0,A2BC_cF16_225_c_a_b:Ag-La-Sn +mp-867801,La2AgSn,-4.719551565,-0.5410160479,0.0294177089,0.0294177089,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-La-Sn,4.0,AB2C_cF16_225_a_c_b:Ag-La-Sn +mp-1205490,La3(AgSn)4,-4.4254959327,-0.5912656829,0.0,-0.0946797119,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-La-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Ag-La-Sn +mp-510346,In5Se5Br,-3.7781525914,-0.7971521942,0.0251220472,0.0251220472,GGA,Pmn2_1,AB5C5_oP22_31_a_5a_5a:Br-In-Se,22.0,AB5C5_oP22_31_a_5a_5a:Br-In-Se +mp-1224092,In5AgSe8,-3.9449649779,-0.7622316582,0.0,-0.002145711,GGA,C2,AB5C8_mC28_5_a_a2bc_4c:Ag-In-Se,14.0,"Invalid WP multiplicities - AB5C8_mC28_5_a_a2bc_8c:Ag-In-Se, expected In5AgSe16 to be In5AgSe8" +mp-571103,In5AgSe8,-3.9429316171,-0.7601982975,0.0020333607,-0.0001123502,GGA,P-42m,AB5C8_tP14_111_a_bm_2n:Ag-In-Se,14.0,"Invalid WP multiplicities - AB5C8_tP14_111_a_bm_5n:Ag-In-Se, expected In5AgSe20 to be In5AgSe8" +mp-1223994,In2AgSe3Br,-3.6974023307,-0.7864471555,0.0282212526,0.0282212526,GGA,R-3m,ABC2D3_hR42_166_c_c_ad_h:Ag-Br-In-Se,14.0,ABC2D3_hR42_166_c_c_ad_h:Ag-Br-In-Se +mp-1268195,InAgSe2,-3.7883857025,-0.6443700303000001,0.0113356725,-0.04345129,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ag-In-Se,16.0,ABC2_oP16_33_a_a_2a:Ag-In-Se +mp-686712,InAgSe2,-3.6874602963,-0.5434446241,0.1122610787,0.0574741162,GGA,Fdd2,ABC2_oF32_43_a_a_b:Ag-In-Se,8.0,ABC2_tI16_141_a_b_e:Ag-In-Se +mp-20554,InAgSe2,-3.799721375,-0.6557057028000001,0.0,-0.0547869625,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-In-Se,8.0,ABC2_tI16_122_a_b_d:Ag-In-Se +mp-1223836,InAgSe2,-3.658586905,-0.5145712328000001,0.14113447,0.0863475075,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-In-Se,4.0,ABC2_tP4_123_a_d_bc:Ag-In-Se +mp-35071,InAgSe2,-3.6900758437,-0.5460601716,0.1096455312,0.0548585687,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-In-Se,8.0,ABC2_tI16_141_a_b_e:Ag-In-Se +mp-1223807,InAgSe2,-3.7288967475,-0.5848810753,0.0708246275,0.016037665,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-In-Se,4.0,ABC2_hR12_160_a_a_2a:Ag-In-Se +mp-1007685,InAgSe2,-3.6988400875,-0.5548244153,0.1008812875,0.046094325,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-In-Se,4.0,ABC2_hR12_166_a_b_c:Ag-In-Se +mp-1025331,In2AgSe4,-3.7946236386,-0.6061137280000001,0.0751042078,0.0751042078,GGA,I-4,AB2C4_tI14_82_a_bc_g:Ag-In-Se,7.0,AB2C4_tI14_82_a_bc_g:Ag-In-Se +mp-1215701,Zn2InCuTe4,-3.3221536387,-0.5792034896,0.0034473256,0.0034473256,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Cu-In-Te-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Cu-In-Te-Zn +mp-20832,Zn(InTe2)2,-3.3789771929,-0.6166436724000001,0.0,-0.0230461779,GGA,I-4,A2B4C_tI14_82_ac_g_b:In-Te-Zn,7.0,A2B4C_tI14_82_ac_g_b:In-Te-Zn +mp-1110736,Rb3AlBr6,-3.44186815,-1.8413333472,0.087903751,0.087903751,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Br-Rb,10.0,AB6C3_cF40_225_a_e_bc:Al-Br-Rb +mp-1111722,Rb2AlAuBr6,-3.293393718,-1.4635241225,0.1534367832,0.1534367832,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-Rb +mp-1209467,RbAlBr4,-3.658068715,-1.8350315113,0.0,-0.0908570579,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Br-Rb,24.0,AB4C_oP24_62_c_2cd_c:Al-Br-Rb +mp-1104133,Na(Mo3Se4)2,-7.1359603267,-0.8450458084,0.0366862083,0.0366862083,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Na-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Na-Se +mp-1103846,Na(MoSe)3,-7.159798555,-0.8244828327,0.0066714086,-0.0340798564,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Na-Se,14.0,A3BC3_hP14_176_h_c_h:Mo-Na-Se +mp-1186069,Na(MoSe)3,-7.1664699636,-0.8311542412,0.0,-0.040751265,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Na-Se,14.0,A3BC3_hP14_176_h_c_h:Mo-Na-Se +mp-1220941,NaIn(MoSe)6,-7.1278685286,-0.6904700608000001,0.0433714914,0.0433714914,GGA,P-6,AB6CD6_hP14_174_a_jk_d_jk:In-Mo-Na-Se,14.0,AB6CD6_hP14_174_a_jk_d_jk:In-Mo-Na-Se +mp-1199740,Na2Mo15Se19,-7.2524352271,-0.8148763295,0.0433653604,0.0433653604,GGA,R-3c,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Na-Se,72.0,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Na-Se +mp-1221553,Na3Mo15Se19,-7.1329560701,-0.833641324,0.0385219243,0.0385219243,GGA,P2_1/m,A15B3C19_mP74_11_3e6f_ef_3e8f:Mo-Na-Se,74.0,"Invalid WP multiplicities - A15B3C19_mP74_11_6e24f_ef_6e26f:Mo-Na-Se, expected Na3(Mo27Se29)2 to be Na3Mo15Se19" +mp-1210246,NaMo3Se4,-6.8316650381,-0.8512748464000001,0.0509948125,0.0509948125,GGA,P-1,A3BC4_aP16_2_3i_i_4i:Mo-Na-Se,16.0,A3BC4_aP16_2_3i_i_4i:Mo-Na-Se +mp-1215445,ZnGaAsSe,-3.738158535,-0.6274411562000001,0.0245981775,0.0245981775,GGA,R3m,ABCD_hR12_160_a_a_a_a:As-Ga-Se-Zn,4.0,ABCD_hR12_160_a_a_a_a:As-Ga-Se-Zn +mp-17410,CsEr3Se5,-5.6587441683,-2.0945090361,0.0,-0.095446234,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Cs-Er-Se,36.0,AB3C5_oP36_62_c_3c_5c:Cs-Er-Se +mp-719958,CsEr2Cu3Se5,-4.9330790477,-1.3141683759,0.007699622,0.007699622,GGA,P1,AB3C2D5_aP22_1_2a_6a_4a_10a:Cs-Cu-Er-Se,22.0,AB3C2D5_aP22_1_2a_6a_4a_10a:Cs-Cu-Er-Se +mp-542482,CsEr2Cu3Se5,-4.9366129677,-1.3177022959,0.004165702,0.004165702,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Er-Se,22.0,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Er-Se +mp-10992,DyCuAs2,-5.3256315387,-0.8195739587,0.0,-0.0565151675,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Dy,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Dy +mp-1225053,DyZnCuAs2,-4.522469162,-0.665674376,0.0176429129,0.0176429129,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Dy-Zn,5.0,A2BCD_hP5_156_ab_a_c_b:As-Cu-Dy-Zn +mp-1219162,Sm6Ge3Se14,-5.5645894335,-1.6027041699,0.0040239878,0.0040239878,GGA,P3,A3B14C6_hP23_143_abc_ab4d_2d:Ge-Se-Sm,23.0,A3B14C6_hP23_143_abc_ab4d_2d:Ge-Se-Sm +mp-1192812,CsSmGeSe4,-4.8904026704,-1.43030806,0.0,-0.0435199676,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Ge-Se-Sm,28.0,ABC4D_oP28_19_a_a_4a_a:Cs-Ge-Se-Sm +mp-21201,LaGa3Pd2,-4.83325396,-0.7699108279,0.0,-0.0164047331,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Ga-La-Pd,6.0,A3BC2_hP6_191_g_a_c:Ga-La-Pd +mp-1222842,LaGa3Pd,-4.5480964,-0.7080610035,0.0,-0.0098919523,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-La-Pd,5.0,A3BC_tI10_119_af_c_b:Ga-La-Pd +mp-1223371,La2Al3GaPd4,-5.347380781,-0.8617442847000001,0.0028058278,0.0028058278,GGA,P-4m2,A3BC2D4_tP10_115_ag_b_g_cdg:Al-Ga-La-Pd,10.0,A3BC2D4_tP10_115_ag_b_g_cdg:Al-Ga-La-Pd +mp-1092301,La(GaPd)2,-5.105694742,-0.835302188,0.0,-0.023286684,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ga-La-Pd,10.0,A2BC2_tP10_129_ac_c_bc:Ga-La-Pd +mp-569696,La(AlGa)2,-4.193434074,-0.496763912,0.0,-0.074615238,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Ga-La,5.0,A2B2C_tI10_139_d_e_a:Al-Ga-La +mp-1095917,AlGaPd2,-3.1240094825,1.1593493856,1.9476744256,1.9476744256,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ga-Pd,4.0,ABC2_oI8_71_a_b_e:Al-Ga-Pd +mp-30815,LaAl3Pd2,-5.2716433333,-0.8495602975000001,0.0,-0.0560635433,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-La-Pd,6.0,A3BC2_hP6_191_g_a_c:Al-La-Pd +mp-30919,LaGa6Pd,-4.0662196037,-0.5306614725000001,0.0,-0.0290684211,GGA,P4/mmm,A6BC_tP8_123_hi_a_b:Ga-La-Pd,8.0,"Invalid WP multiplicities - A6BC_tP8_123_h2i_a_b:Ga-La-Pd, expected LaGa10Pd to be LaGa6Pd" +mp-1189429,LaGaPd2,-5.456139205,-0.8751725181000001,0.0,-0.04055803,GGA,Pnma,ABC2_oP16_62_c_c_d:Ga-La-Pd,16.0,ABC2_oP16_62_c_c_d:Ga-La-Pd +mp-638226,La2Ga12Pd,-3.8831173153,-0.4571807627,0.0,-0.0036821897,GGA,P4/nbm,A12B2C_tP30_125_2g2m_h_c:Ga-La-Pd,30.0,"Invalid WP multiplicities - A12B2C_tP30_125_8g10m_h_c:Ga-La-Pd, expected La2Ga56Pd to be La2Ga12Pd" +mp-1079764,La(AlPd)2,-5.429936278,-0.8725518010000001,0.0,-0.013655119,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Al-La-Pd,10.0,A2BC2_tP10_129_ac_c_bc:Al-La-Pd +mp-654199,Ta8NiSe8,-8.4355994699,-0.8703259674,0.0,-0.0042761921,GGA,Pnma,AB8C8_oP68_62_c_8c_8c:Ni-Se-Ta,68.0,"Invalid WP multiplicities - AB8C8_oP68_62_c_27c_28c:Ni-Se-Ta, expected Ta28NiSe27 to be Ta8NiSe8" +mp-22744,Ta11(NiSe4)2,-8.8446660479,-0.7511841854,0.0,-0.0112131862,GGA,Pnnm,A2B8C11_oP42_58_g_4g_a5g:Ni-Se-Ta,42.0,A2B8C11_oP42_58_g_4g_a5g:Ni-Se-Ta +mp-622009,TaNi2TeSe,-6.656115893,-0.6446622208,0.0,-0.002884864,GGA,Pnma,A2BCD_oP20_62_2c_c_c_c:Ni-Se-Ta-Te,20.0,"Invalid WP multiplicities - A2BCD_oP20_62_4c_c_c_c:Ni-Se-Ta-Te, expected TaNi4TeSe to be TaNi2TeSe" +mp-1208475,Ta2Ni3Te5,-6.2738067393,-0.5965572626,0.0,-0.0160598128,GGA,Pnma,A3B2C5_oP40_62_3c_2c_5c:Ni-Ta-Te,40.0,A3B2C5_oP40_62_3c_2c_5c:Ni-Ta-Te +mp-8998,TaNiTe5,-5.3620531814,-0.5971326419,0.0,-0.0237377824,GGA,Cmcm,ABC5_oC28_63_a_c_c2f:Ni-Ta-Te,14.0,"Invalid WP multiplicities - ABC5_oC28_63_a_c_2c5f:Ni-Ta-Te, expected TaNiTe12 to be TaNiTe5" +mp-28667,Ta(NiTe)2,-6.479009588,-0.5380770327000001,0.0036204511,0.0036204511,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Ni-Ta-Te,20.0,A2BC2_oP20_62_2c_c_2c:Ni-Ta-Te +mp-541183,Ta2NiSe7,-6.324798446,-0.9280912176,0.0044833086,0.0044833086,GGA,C2/m,AB7C2_mC40_12_i_7i_2i:Ni-Se-Ta,20.0,AB7C2_mC40_12_i_7i_2i:Ni-Se-Ta +mp-541070,Ta2NiSe5,-6.8991040631,-1.0271978971,0.0,-0.028992607,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ni-Se-Ta,16.0,AB5C2_oC32_63_c_c2f_f:Ni-Se-Ta +mp-1197091,Ta4NiTe4,-7.8453565728,-0.5359709313000001,0.0,-0.0157673122,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Ni-Ta-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Ni-Ta-Te +mp-1220035,NiTeSe,-4.6846598667,-0.544875183,0.0,-0.0148241258,GGA,P3m1,ABC_hP3_156_a_b_c:Ni-Se-Te,3.0,ABC_hP3_156_a_b_c:Ni-Se-Te +mp-9391,TaNi2Te3,-6.04553993,-0.570878485,0.0,-0.0052354625,GGA,P2_1/m,A2BC3_mP12_11_2e_e_3e:Ni-Ta-Te,12.0,A2BC3_mP12_11_2e_e_3e:Ni-Ta-Te +mp-19810,TaNiTe2,-6.5760574213,-0.5949258971,0.0,-0.0058434046,GGA,Pmna,ABC2_oP16_53_h_e_gh:Ni-Ta-Te,16.0,"Invalid WP multiplicities - ABC2_oP16_53_h_e_2g3h:Ni-Ta-Te, expected TaNiTe5 to be TaNiTe2" +mp-541509,Ta2Ni3Se8,-6.1912217481,-0.8817404311,0.0,-0.0288589144,GGA,Pbam,A3B8C2_oP26_55_ag_2g2h_h:Ni-Se-Ta,26.0,A3B8C2_oP26_55_ag_2g2h_h:Ni-Se-Ta +mp-1212604,GdAl3Ni2,-6.7899696422,-0.6444491272,0.0,-0.0109227097,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Gd-Ni,18.0,A3BC2_hP18_191_fk_ad_l:Al-Gd-Ni +mp-1185278,Gd(Mg4Al3)4,-2.9831236659,-0.0649335624,0.0184682397,0.0184682397,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Gd-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a8b4c:Al-Gd-Mg, expected GdMg49Al48 to be Gd(Mg4Al3)4" +mp-1205657,Gd2MgNi2,-8.621052955,-0.358493377,0.0,-0.0261294406,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Gd-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:Gd-Mg-Ni +mp-568693,Gd(Al3Ni)3,-5.5341013812,-0.5243540927,0.0,-0.0227607549,GGA,R32,A9BC3_hR78_155_3cdef_c_f:Al-Gd-Ni,26.0,"Invalid WP multiplicities - A9BC3_hR78_155_5c3d3e4f_c_f:Al-Gd-Ni, expected GdAl26Ni3 to be Gd(Al3Ni)3" +mp-1101090,GdAlNi,-8.4486140078,-0.5813357578,0.0,-0.0188804506,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Gd-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Gd-Ni +mp-1224816,GdMg3Ni8,-5.71126167,-0.2847570175,0.015077776,0.015077776,GGA,R3m,AB3C8_hR36_160_a_3a_2a2b:Gd-Mg-Ni,12.0,"Invalid WP multiplicities - AB3C8_hR36_160_a_3a_2a6b:Gd-Mg-Ni, expected GdMg3Ni20 to be GdMg3Ni8" +mp-977381,GdMgNi4,-6.8452815917,-0.3791234233,0.0,-0.0513184933,GGA,F-43m,ABC4_cF24_216_a_c_e:Gd-Mg-Ni,6.0,ABC4_cF24_216_a_c_e:Gd-Mg-Ni +mp-580327,Gd3(AlNi3)2,-8.2036253791,-0.5308673373,0.0,-0.0153778555,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Al-Gd-Ni,22.0,A2B3C6_cI44_229_c_e_h:Al-Gd-Ni +mp-1225213,Gd8MgAlNi2,-11.0470948296,-0.2541692329,0.0,-0.0215825279,GGA,Imm2,AB8CD2_oI48_44_c_2a2bcd2e_d_cd:Al-Gd-Mg-Ni,24.0,"Invalid WP multiplicities - AB8CD2_oI48_44_c_2a2bcd4e_d_cd:Al-Gd-Mg-Ni, expected Gd12MgAlNi2 to be Gd8MgAlNi2" +mp-1184333,Gd2MgAl,-8.646984935,-0.272459845,0.0,-0.0125574931,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Gd-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Gd-Mg +mp-1224779,GdAlNi4,-7.33900164,-0.5152941750000001,0.0,-0.0393931142,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Gd-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Gd-Ni +mp-1225047,GdAlNi4,-7.258327665,-0.4346201999999999,0.080673975,0.0412808608,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Gd-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Gd-Ni +mp-630019,GdAl2Ni,-7.4577222738,-0.6208696287000001,0.0,-0.0205609319,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Gd-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Gd-Ni +mp-1028284,Mg14AlNi,-1.9777086106,0.017893465,0.1192955202,0.1192955202,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Ni, expected Mg18AlNi to be Mg14AlNi" +mp-1028258,Mg14AlNi,-1.9745699294,0.0210321462,0.1224342014,0.1224342014,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Ni, expected Mg26AlNi to be Mg14AlNi" +mp-1185680,Mg16Al12Ni,-2.6581250697,-0.0260034338,0.0531715209,0.0531715209,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Ni,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Ni, expected Mg49Al39Ni to be Mg16Al12Ni" +mp-1095605,GdAl4Ni,-6.3629476558,-0.5565206158,0.0,-0.0146963807,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Gd-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Gd-Ni +mp-1071506,Gd2AlNi2,-9.207342584,-0.51572385,0.0,-0.0028268213,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Gd-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Gd-Ni +mp-1097514,MgAlNi2,-2.346906295,1.879626015,2.3098619142,2.3098619142,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Mg-Ni,4.0,ABC2_oI8_71_a_b_e:Al-Mg-Ni +mp-1185843,MgAlNi2,-4.6459035725,-0.4193712625,0.0108646367,0.0108646367,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Ni +mp-1023396,Mg6AlNi,-2.3793540769,0.0115700244,0.192606071,0.192606071,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Ni, expected Mg12AlNi to be Mg6AlNi" +mp-1023480,Mg6AlNi,-2.3685416925,0.0223824087,0.2034184553,0.2034184553,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Ni, expected Mg12AlNi to be Mg6AlNi" +mp-567249,GdMg2Ni9,-5.5887869125,0.1860391258,0.4513902019,0.4513902019,GGA,R-3m,AB2C9_hR36_166_a_c_bch:Gd-Mg-Ni,12.0,"Invalid WP multiplicities - AB2C9_hR36_166_a_c_b2c3h:Gd-Mg-Ni, expected GdMg2Ni23 to be GdMg2Ni9" +mp-14001,Ba4SiAs4,-4.5261729294,-0.9997627728,0.0,-0.0793950593,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:As-Ba-Si,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_2e3i_ei_2ac:As-Ba-Si, expected Ba16Si5As44 to be Ba4SiAs4" +mp-11692,Ba3(SiAs2)2,-4.7231133428,-0.8071095094,0.0,-0.0427700676,GGA,C2/c,A4B3C2_mC36_15_2f_3e_f:As-Ba-Si,18.0,"Invalid WP multiplicities - A4B3C2_mC36_15_3f_3e_f:As-Ba-Si, expected Ba3(SiAs3)2 to be Ba3(SiAs2)2" +mp-1200444,Ba8Si6Sn,-3.916965915,-0.4560806113,0.0,-0.0257342403,GGA,Pbcn,A8B6C_oP60_60_4d_3d_c:Ba-Si-Sn,60.0,A8B6C_oP60_60_4d_3d_c:Ba-Si-Sn +mp-1197065,Ba13Si6(Sn4As11)2,-4.6021506559,-0.6822371427,0.0,-0.0178832033,GGA,I-42m,A22B13C6D8_tI98_121_ef2ij_bij_di_j:As-Ba-Si-Sn,49.0,A22B13C6D8_tI98_121_ef2ij_bij_di_j:As-Ba-Si-Sn +mp-1220292,Nd2Mn2CuSi3,-6.3938747675,-0.3644389914,0.1988356094,0.1988356094,GGA,Amm2,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Mn-Nd-Si,8.0,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Mn-Nd-Si +mp-7555,LiMgSnPd,-3.76382489,-0.5891607446,0.0,-0.055303215,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Li-Mg-Pd-Sn,4.0,ABCD_cF16_216_a_c_b_d:Li-Mg-Pd-Sn +mp-864883,MgSnPd2,-4.6721337625,-0.6797298812,0.0,-0.0428982744,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Sn +mp-1222615,Li2MgSn,-2.705920775,-0.3489963654,0.0,-0.037131577,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Sn,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Sn +mp-865935,Li2MgSn,-2.6884008450000003,-0.3314764354,0.01751993,-0.019611647,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Mg-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Mg-Sn +mp-1222608,Li2SnPd,-3.83817683,-0.5863519804,0.0,-0.0634830222,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pd-Sn,4.0,A2BC_cF16_216_ac_b_d:Li-Pd-Sn +mp-1206680,Li2SnPd,-3.718539715,-0.4667148654,0.119637115,0.0561540928,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pd-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Pd-Sn +mp-569331,Li(Sn3Pd)2,-4.3732508261,-0.3370155354,0.0,-0.0044424752,GGA,P4/mbm,AB2C6_tP18_127_a_e_hk:Li-Pd-Sn,18.0,"Invalid WP multiplicities - AB2C6_tP18_127_a_e_2h2k:Li-Pd-Sn, expected Li(Sn6Pd)2 to be Li(Sn3Pd)2" +mp-7243,LiSnPd2,-4.730173025,-0.6606084396,0.0,-0.1090037962,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Sn +mp-1028268,LiMg14Sn,-1.8169933844,-0.0468424205,0.0356275943,0.0356275943,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Sn, expected LiMg18Sn to be LiMg14Sn" +mp-1028265,LiMg14Sn,-1.8034966738,-0.0333457099,0.0491243049,0.0491243049,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Sn, expected LiMg26Sn to be LiMg14Sn" +mp-977399,LiMgPd2,-4.091713355,-0.6244717208,0.0,-0.034694065,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Mg-Pd,4.0,ABC2_cF16_225_a_b_c:Li-Mg-Pd +mp-977380,LiMg2Pd,-3.046556435,-0.4742152408,0.0,-0.0732715922,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Pd +mp-1096107,LiMgSn2,-1.70946597,1.1726206867,1.4057637144,1.4057637144,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mg-Sn,4.0,ABC2_oI8_71_a_b_e:Li-Mg-Sn +mp-1021403,LiMg6Sn,-2.0159646119,-0.0759427342,0.0617421456,0.0617421456,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Sn, expected LiMg12Sn to be LiMg6Sn" +mp-1021398,LiMg6Sn,-2.0133008244,-0.0732789467,0.0644059331,0.0644059331,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Sn, expected LiMg12Sn to be LiMg6Sn" +mp-1222500,Li3Sn11Pd4,-4.2863633161,-0.3668307469,0.0016695982,0.0016695982,GGA,Amm2,A3B4C11_oC36_38_ae_f_a2cdf:Li-Pd-Sn,18.0,"Invalid WP multiplicities - A3B4C11_oC36_38_ae_f_a4cd2f:Li-Pd-Sn, expected Li3Sn19Pd4 to be Li3Sn11Pd4" +mp-1111724,Rb2TbAgCl6,-4.230105436,-2.1781844152,0.0087445759,0.0087445759,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tb +mp-567776,Cs2AgAuCl6,-3.349867614,-1.4510213433,0.0,-0.019546578,GGA,I4/mmm,ABC6D2_tI20_139_a_b_eh_d:Ag-Au-Cl-Cs,10.0,"Invalid WP multiplicities - ABC6D2_tI20_139_a_b_2e2h_d:Ag-Au-Cl-Cs, expected Cs2AgAuCl12 to be Cs2AgAuCl6" +mp-568448,Cs2AgAuCl6,-3.295812401,-1.3969661303,0.054055213,0.034508635,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Cs +mp-1097285,Cs2AgAu,-1.7054106375,0.2689000494,0.4225401814,0.4225401814,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-Cs,4.0,ABC2_oI8_71_a_b_e:Ag-Au-Cs +mp-29459,Rb3Mo2Br9,-4.2593842364,-1.5015158502,0.0205145457,0.0205145457,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Br-Mo-Rb,28.0,"Invalid WP multiplicities - A9B2C3_hP28_194_h2k_f_bf:Br-Mo-Rb, expected Rb3Mo2Br15 to be Rb3Mo2Br9" +mp-676313,RbMo3Br7,-5.315716858,-1.2803820659,0.0,-0.0022305598,GGA,Cc,A7B3C_mC88_9_14a_6a_2a:Br-Mo-Rb,44.0,A7B3C_mC88_9_28a_12a_4a:Br-Mo-Rb +mp-1205757,Rb2MoBr6,-3.9975391367,-1.5392182217,0.0,-0.1319068011,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Br-Mo-Rb,9.0,A6BC2_cF36_225_e_a_c:Br-Mo-Rb +mp-1110808,Rb2AgMoBr6,-3.846380347,-1.3506359232,0.0611103201,0.0611103201,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Mo-Rb +mp-1111192,Na2AgAsBr6,-3.061299099,-1.1158096015,0.1444963005,0.1444963005,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Na +mp-1113213,Cs2ScAuCl6,-4.2630462510000005,-2.0142086701,0.106712486,0.106712486,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sc +mp-1210457,NaCeAgTe4,-4.2709344143,-1.0335924107,0.1480782507,0.1480782507,GGA,P4/nmm,ABCD4_tP14_129_a_c_c_2cf:Ag-Ce-Na-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_a_c_c_2c2f:Ag-Ce-Na-Te, expected NaCeAgTe6 to be NaCeAgTe4" +mp-1113387,Rb2ScHgCl6,-3.99591864,-2.0270748825,0.0805292435,0.0805292435,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Sc +mp-1191379,EuGe7Ir3,-6.7283262009,-0.4434626259,0.0,-0.0119358534,GGA,R-3c,AB7C3_hR66_167_b_af_e:Eu-Ge-Ir,22.0,AB7C3_hR66_167_b_af_e:Eu-Ge-Ir +mp-1194923,Eu(In4Ir)2,-4.7930317509,-0.2523644782,0.0016516541,0.0016516541,GGA,Pbam,AB8C2_oP44_55_g_ad2g5h_2g:Eu-In-Ir,44.0,AB8C2_oP44_55_g_ad2g5h_2g:Eu-In-Ir +mp-1095333,EuIn4Ir,-5.3769394417,-0.3599109583,0.0,-0.0346870847,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Eu-In-Ir,12.0,AB4C_oC24_63_c_acf_c:Eu-In-Ir +mp-1068715,EuGe3Ir,-7.1945912960000005,-0.601687387,0.0,-0.0636087946,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-Ge-Ir,5.0,AB3C_tI10_107_a_ab_a:Eu-Ge-Ir +mp-613206,EuGe2Ir,-7.7413954487,-0.6560225263,0.0091920554,0.0091920554,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Eu-Ge-Ir,8.0,AB2C_oC16_63_c_2c_c:Eu-Ge-Ir +mp-1095411,EuIn2(GeIr)4,-6.8199380218000005,-0.4921000764,0.0,-0.0314139566,GGA,I-42m,AB4C2D4_tI22_121_a_i_c_i:Eu-Ge-In-Ir,11.0,AB4C2D4_tI22_121_a_i_c_i:Eu-Ge-In-Ir +mp-570058,Eu(GeIr)2,-8.144485742,-0.708500568,0.0,-0.1133555427,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Ir,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Ir +mp-1095238,Eu3(GeIr)4,-8.3847037018,-0.6922624709,0.0,-0.0088003198,GGA,I-43m,A3B4C4_cI22_217_b_c_c:Eu-Ge-Ir,11.0,A3B4C4_cI22_217_b_c_c:Eu-Ge-Ir +mp-1112416,Rb2TbCuCl6,-4.31414797,-2.1355618825,0.0447828631,0.0447828631,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tb +mp-1111541,Na2AgAuCl6,-3.148552765,-1.16428191,0.1452962395,0.1452962395,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-Na +mp-1110642,Cs2NaGaBr6,-3.268987886,-1.723028282,0.0752778707,0.0752778707,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Na +mp-1224919,La3Ge6(Pd2Pt)2,-5.9356973763,-0.9084985547,0.0,-0.0143024838,GGA,P4mm,A6B3C4D2_tP30_99_3a3b3c_3a3b_2a3c_a3b:Ge-La-Pd-Pt,30.0,"Invalid WP multiplicities - A6B3C4D2_tP30_99_3a3b6c_3a3b_2a6c_a3b:Ge-La-Pd-Pt, expected La3Ge9Pd7Pt2 to be La3Ge6(Pd2Pt)2" +mp-1223497,La2Ge4Pd3Pt,-5.869277579,-0.8717871410000001,0.0239123593,0.0239123593,GGA,P-4m2,A4B2C3D_tP10_115_2g_g_abc_d:Ge-La-Pd-Pt,10.0,"Invalid WP multiplicities - A4B2C3D_tP10_115_4g_g_abc_d:Ge-La-Pd-Pt, expected La2Ge8Pd3Pt to be La2Ge4Pd3Pt" +mp-37741,Ba(LaSe2)2,-5.9864071007,-2.3043163778,0.0005453305,0.0005453305,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-La-Se,14.0,AB2C4_tI28_122_a_d_e:Ba-La-Se +mp-1101818,BaLaAgSe3,-5.2070249367,-1.8444795231,0.0,-0.0467635153,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-La-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-La-Se +mp-18055,La2Ge5Rh3,-6.3531121555,-0.845104446,0.0,-0.0114978805,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-La-Rh,20.0,"Invalid WP multiplicities - A5B2C3_oI40_72_afj_j_2b2j:Ge-La-Rh, expected La2Ge5Rh6 to be La2Ge5Rh3" +mp-1095552,La(Ge2Rh3)2,-6.8991050855000005,-0.7523809268,0.0,-0.0909124995,GGA,P-6m2,A4BC6_hP11_187_ak_c_jk:Ge-La-Rh,11.0,A4BC6_hP11_187_ak_c_jk:Ge-La-Rh +mp-13123,LaGe3Rh,-5.995537766,-0.7616580580000001,0.0,-0.0592658239,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-La-Rh,5.0,A3BC_tI10_107_ab_a_a:Ge-La-Rh +mp-1211651,La3(GeRh)2,-6.4256341907,-0.8852495100000001,0.0,-0.0504925434,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ge-La-Rh,28.0,A2B3C2_oP28_57_cd_de_e:Ge-La-Rh +mp-4562,La(GeRh)2,-6.687690784,-0.905555073,0.0,-0.0548185028,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Rh,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Rh +mp-1222840,LaGe2PdRh,-6.222762857,-0.877512358,0.020363672,0.003916347,GGA,P4/nmm,A2BCD_tP10_129_ac_c_b_c:Ge-La-Pd-Rh,10.0,A2BCD_tP10_129_ac_c_b_c:Ge-La-Pd-Rh +mp-1222856,LaGe2PdRh,-6.243126529,-0.89787603,0.0,-0.016447325,GGA,P4/nmm,A2BCD_tP10_129_ac_c_c_b:Ge-La-Pd-Rh,10.0,A2BCD_tP10_129_ac_c_c_b:Ge-La-Pd-Rh +mp-15009,La3(GeRh)4,-6.6249353364,-0.9197204077,0.0,-0.0206261957,GGA,Immm,A4B3C4_oI22_71_ef_af_ef:Ge-La-Rh,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_ef_af_e2f:Ge-La-Rh, expected La3(Ge2Rh3)2 to be La3(GeRh)4" +mp-1079894,LaGe2Rh,-6.2447257412,-0.85813307,0.0,-0.0119162898,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-La-Rh,8.0,A2BC_oC16_63_2c_c_c:Ge-La-Rh +mp-1179060,SrTlCu3Se4,-3.8151606967,-0.4447826388,0.3894998459,0.3894998459,GGA,P-43m,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-Tl,9.0,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-Tl +mp-30611,ErSnPt2,-6.1889982487,-1.0091089225,0.0,-0.0227369693,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Er-Pt-Sn,8.0,AB2C_hP8_194_c_f_a:Er-Pt-Sn +mp-1102040,CaSnPt,-4.9442887992,-0.9155204475,0.0,-0.1443676759,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pt-Sn,12.0,ABC_oP12_62_c_c_c:Ca-Pt-Sn +mp-1229301,Ca4Er2(Sn5Pt3)3,-5.1491684424,-0.7511146142,0.0,-0.0046604606,GGA,Pm,A4B2C9D15_mP120_6_10a6b_2a6b_18a18b_30a30b:Ca-Er-Pt-Sn,120.0,A4B2C9D15_mP120_6_10a6b_2a6b_18a18b_30a30b:Ca-Er-Pt-Sn +mp-1079826,ErSnPt,-5.9698390556,-1.0870310606,0.0,-0.1610690808,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Pt-Sn,9.0,ABC_hP9_189_f_ad_g:Er-Pt-Sn +mp-21774,Ca2Sn5Pt3,-4.9521326468,-0.7248867473,0.0,-0.035392382,GGA,Pnma,A2B3C5_oP40_62_2c_3c_5c:Ca-Pt-Sn,40.0,"Invalid WP multiplicities - A2B3C5_oP40_62_2c_4c_9c:Ca-Pt-Sn, expected Ca2Sn9Pt4 to be Ca2Sn5Pt3" +mp-1214141,Ca3Sn13Pt4,-4.624101524,-0.5028131722,0.0120886113,0.0120886113,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ca-Pt-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ca-Pt-Sn +mp-998308,CsScBr3,-4.35699825,-1.9796069566,0.0976127783,0.0976127783,GGA,Pm,A3BC_mP5_6_2ab_b_a:Br-Cs-Sc,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Sc +mp-998435,CsScBr3,-4.3707592045,-1.9933679111,0.0838518238,0.0838518238,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cs-Sc,20.0,A3BC_oP20_62_3c_c_c:Br-Cs-Sc +mp-1213644,CsScBr3,-4.440707495,-2.0633162016,0.0139035333,0.0139035333,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Sc,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Sc +mp-1113520,Cs2ScInBr6,-3.970350844,-1.9510380881,0.012464628,0.012464628,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Sc +mp-1213834,Cs3Sc2Br9,-4.3204783086,-2.2255925731,0.0,-0.0837097821,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Br-Cs-Sc,28.0,A9B3C2_hP28_194_hk_bf_f:Br-Cs-Sc +mp-1112351,Cs3ScBr6,-3.979650914,-2.1459662939,0.040402991,0.040402991,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-Sc,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-Sc +mp-573702,CsTlBr4,-2.9788049892,-1.4004451827,0.0,-0.0142191339,GGA,P2_12_12_1,A4BC_oP24_19_4a_a_a:Br-Cs-Tl,24.0,"Invalid WP multiplicities - A4BC_oP24_19_13a_a_a:Br-Cs-Tl, expected CsTlBr13 to be CsTlBr4" +mp-1112647,Cs3TlBr6,-3.069744656,-1.6330426317,0.0553216742,0.0553216742,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-Tl,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-Tl +mp-1199662,Cs2TlBr5,-3.0765670053,-1.5867433127,0.0,-0.0073115862,GGA,Pnma,A5B2C_oP64_62_4c3d_4c_2c:Br-Cs-Tl,64.0,A5B2C_oP64_62_4c3d_4c_2c:Br-Cs-Tl +mp-996944,Cs2TlInBr6,-3.253867587,-1.6315374269,0.0,-0.0322809435,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Tl +mp-1112177,CsTlBr3,-3.08005807,-1.4966319683,0.0113081332,0.0113081332,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Br-Cs-Tl,10.0,A3BC_cF40_225_e_c_ab:Br-Cs-Tl +mp-1226204,Cs3Tl2Br9,-3.0335685318,-1.5058007904,0.0011004666,0.0011004666,GGA,P2_1,A9B3C2_mP28_4_9a_3a_2a:Br-Cs-Tl,28.0,A9B3C2_mP28_4_9a_3a_2a:Br-Cs-Tl +mp-1213694,Cs3Tl2Br9,-3.0154035379,-1.4876357965,0.0192654605,0.0192654605,GGA,P-3m1,A9B3C2_hP14_164_ei_ad_d:Br-Cs-Tl,14.0,A9B3C2_hP14_164_ei_ad_d:Br-Cs-Tl +mp-1182240,BaTlCu3Se4,-3.8375815056,-0.4417055047,0.3897462428,0.3897462428,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Ba-Cu-Se-Tl,9.0,AB3C4D_cP9_215_a_c_e_b:Ba-Cu-Se-Tl +mp-28413,Na2(GaSb)3,-3.3532838044,-0.3387410076,0.0,-0.0277989442,GGA,Pnma,A3B2C3_oP32_62_3c_2c_3c:Ga-Na-Sb,32.0,A3B2C3_oP32_62_3c_2c_3c:Ga-Na-Sb +mp-1228324,Ba3(NaSb2)2,-3.6617103828,-0.8930458976000001,0.0,-0.0162597353,GGA,P2_1/c,A3B2C4_mP36_14_3e_2e_4e:Ba-Na-Sb,36.0,"Invalid WP multiplicities - A3B2C4_mP36_14_5e_2e_6e:Ba-Na-Sb, expected Ba5(NaSb3)2 to be Ba3(NaSb2)2" +mp-1214620,Ba5Na(GaSb3)2,-3.8441546339,-0.8621832426,0.0277046649,0.0277046649,GGA,Pnma,A5B2CD6_oP56_62_c2d_2c_a_4cd:Ba-Ga-Na-Sb,56.0,A5B2CD6_oP56_62_c2d_2c_a_4cd:Ba-Ga-Na-Sb +mp-961774,BaNaSb,-3.15747205,-0.7006382255,0.1186498618,0.1186498618,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-Na-Sb,3.0,ABC_cF12_216_a_c_b:Ba-Na-Sb +mp-16884,RbEr2Cu3Se5,-4.9501790832,-1.3235291658,0.0,-0.0121980455,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Er-Rb-Se,22.0,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Er-Rb-Se +mp-10784,RbErSe2,-5.0907107575,-1.955691798,0.0,-0.1543376834,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Er-Rb-Se +mp-1182275,BaCrCu3Se4,-4.8758222611,-0.6699013355,0.2197998339,0.2197998339,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Ba-Cr-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Ba-Cr-Cu-Se +mp-1114077,Rb2TlHgCl6,-3.127238942,-1.5553777803000002,0.0376025596,0.0376025596,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Tl +mp-1180289,MgCrCu3Se4,-4.7371671200000005,-0.5666567377,0.1465177461,0.1465177461,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Mg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Mg-Se +mp-996957,Mg(CrSe2)2,-5.9879235586,-1.0036348585,0.0007828636,0.0007828636,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:Cr-Mg-Se +mp-1022064,Mg6CrCu,-2.7574680762,0.1617737288,0.2160362021,0.2160362021,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Cu-Mg, expected Mg12CrCu to be Mg6CrCu" +mp-1022097,Mg6CrCu,-2.7571798681,0.1620619369,0.2163244103,0.2163244103,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Cu-Mg, expected Mg12CrCu to be Mg6CrCu" +mp-1026890,Mg14CrCu,-2.1704800406,0.0892808869,0.1261436782,0.1261436782,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Cu-Mg, expected Mg18CrCu to be Mg14CrCu" +mp-1026868,Mg14CrCu,-2.1721500669,0.0876108606,0.1244736519,0.1244736519,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Cu-Mg, expected Mg26CrCu to be Mg14CrCu" +mp-3241,Sr(CuGe)2,-4.1936100960000005,-0.3668175953,0.0,-0.0604273578,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Sr,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Sr +mp-16179,SrCu2GeSe4,-4.4907113519,-0.928888782,0.0065086644,0.0065086644,GGA,Ama2,A2BC4D_oC32_40_c_b_2bc_a:Cu-Ge-Se-Sr,16.0,A2BC4D_oC32_40_c_b_2bc_a:Cu-Ge-Se-Sr +mp-18112,Sr2Ge2Se5,-4.670990235,-1.3260346789,0.0,-0.0033442011,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Ge-Se-Sr,36.0,A2B5C2_mP36_14_2e_5e_2e:Ge-Se-Sr +mp-30293,Sr2GeSe4,-4.7123526843,-1.5715440168,0.0,-0.0099378334,GGA,Ama2,AB4C2_oC28_40_b_2bc_ab:Ge-Se-Sr,14.0,AB4C2_oC28_40_b_2bc_ab:Ge-Se-Sr +mp-11144,SrCu9Ge4,-4.2326996071,-0.155952114,0.0,-0.0216847093,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Cu-Ge-Sr,28.0,"Invalid WP multiplicities - A9B4C_tI56_140_d2kl_l_a:Cu-Ge-Sr, expected SrCu13Ge4 to be SrCu9Ge4" +mp-1218273,SrCuGe,-3.8760797533,-0.4055037606,0.008439605,0.008439605,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Sr,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Sr +mp-1225442,Dy4FeSe7,-6.06644838,-1.7857359705,0.0847211075,0.0847211075,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Dy-Fe-Se,12.0,A4BC7_mC24_8_4a_a_7a:Dy-Fe-Se +mp-1191229,Dy3GaFeSe7,-5.6894256113,-1.5402707699,0.0645992806,0.0645992806,GGA,P6_3,A3BCD7_hP24_173_c_a_b_b2c:Dy-Fe-Ga-Se,24.0,A3BCD7_hP24_173_c_a_b_b2c:Dy-Fe-Ga-Se +mp-36711,Na(Sm2Se3)4,-5.9490277774,-2.0908300581,0.0217903127,0.0217903127,GGA,I-42d,AB12C8_tI84_122_a_3e_cde:Na-Se-Sm,42.0,"Invalid WP multiplicities - AB12C8_tI84_122_a_12e_4c4d3e:Na-Se-Sm, expected Na(Sm7Se12)4 to be Na(Sm2Se3)4" +mp-999450,NaSmSe2,-5.182747045,-1.9245134491,0.0,-0.1099871878,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-Se-Sm,4.0,AB2C_hR12_166_a_c_b:Na-Se-Sm +mp-1206865,Na(SmSe2)3,-3.06538524,0.5799900164,2.50410381,2.50410381,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Na-Se-Sm,10.0,AB6C3_oC20_65_a_kp_de:Na-Se-Sm +mp-1220845,Na9Sm(GeSe3)4,-4.1254728238,-1.1614588651,0.0,-0.0008905046,GGA,C2,A4B9C12D_mC52_5_2c_a2b3c_6c_a:Ge-Na-Se-Sm,26.0,"Invalid WP multiplicities - A4B9C12D_mC52_5_4c_a2b3c_12c_a:Ge-Na-Se-Sm, expected Na9Sm(GeSe3)8 to be Na9Sm(GeSe3)4" +mp-36966,NaSm2Se3,-5.5030769017,-1.9618382356,0.00309857,0.00309857,GGA,C2/c,AB3C2_mC24_15_e_cf_2e:Na-Se-Sm,12.0,"Invalid WP multiplicities - AB3C2_mC24_15_e_2a2f_3e:Na-Se-Sm, expected Na(SmSe2)3 to be NaSm2Se3" +mp-1220865,NaSm2Se3,-5.5039051083,-1.9626664423,0.0022703633,0.0022703633,GGA,Immm,AB3C2_oI12_71_a_cf_e:Na-Se-Sm,6.0,AB3C2_oI12_71_a_cf_e:Na-Se-Sm +mp-1220847,Na6Sm4Ge4Se17,-4.6926825416,-1.3142276113,0.0430447425,0.0430447425,GGA,C2,A4B6C17D4_mC62_5_2c_3c_a8c_2c:Ge-Na-Se-Sm,31.0,A4B6C17D4_mC62_5_2c_3c_a8c_2c:Ge-Na-Se-Sm +mp-29103,CsAlBr4,-3.6801072583,-1.8712586713,0.0,-0.1189832846,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Br-Cs,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:Al-Br-Cs, expected CsAlBr6 to be CsAlBr4" +mp-1112379,Cs3AlBr6,-3.455246454,-1.8802511614,0.080443353,0.080443353,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Br-Cs,10.0,AB6C3_cF40_225_a_e_bc:Al-Br-Cs +mp-1214853,AlInBr4,-3.5558523904,-1.4376235771,0.0,-0.0567924717,GGA,P2/c,AB4C_mP24_13_g_4g_ef:Al-Br-In,24.0,AB4C_mP24_13_g_4g_ef:Al-Br-In +mp-1113281,Cs2AlInBr6,-3.44702974,-1.6864063116,0.051421634,0.051421634,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-In +mp-505558,Dy3CuGeSe7,-5.4529799187,-1.5351486364,0.0,-0.0031078064,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Cu-Dy-Ge-Se,24.0,AB3CD7_hP24_173_a_c_b_b2c:Cu-Dy-Ge-Se +mp-1095027,Dy2CuGe6,-4.97194385,-0.4107274633,0.0453476217,0.0453476217,GGA,Amm2,AB2C6_oC18_38_a_2b_4a2b:Cu-Dy-Ge,9.0,AB2C6_oC18_38_a_2b_4a2b:Cu-Dy-Ge +mp-1225585,Dy6Ge3Se14,-5.4978850048,-1.5651647747,0.0228270425,0.0228270425,GGA,P3,A6B3C14_hP23_143_2d_abc_ab4d:Dy-Ge-Se,23.0,A6B3C14_hP23_143_2d_abc_ab4d:Dy-Ge-Se +mp-22066,Dy(CuGe)2,-4.90928667,-0.499035492,0.0,-0.0347157671,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Dy-Ge,5.0,A2BC2_tI10_139_d_a_e:Cu-Dy-Ge +mp-22039,Dy3(CuGe)4,-5.0598978118,-0.6317797555,0.0,-0.0299810945,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Dy-Ge,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_2eh:Cu-Dy-Ge, expected Dy3(Cu2Ge3)2 to be Dy3(CuGe)4" +mp-1225449,DyCuGe,-4.8110011767,-0.367994055,0.31944058,0.2573401991,GGA,P-3m1,ABC_hP6_164_d_c_d:Cu-Dy-Ge,6.0,ABC_hP6_164_d_c_d:Cu-Dy-Ge +mp-20010,DyCuGe,-5.1304417567,-0.687434635,0.0,-0.0621003809,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Dy-Ge,6.0,ABC_hP6_186_b_a_b:Cu-Dy-Ge +mp-1225279,DyCuGe,-5.0834319833,-0.6404248617,0.0470097733,-0.0150906075,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Dy-Ge,3.0,ABC_hP3_187_a_d_e:Cu-Dy-Ge +mp-1223673,InSn3Se4,-4.2077737475,-0.6122680968,0.0757121809,0.0757121809,GGA,Pm,AB4C3_mP8_6_a_2a2b_a2b:In-Se-Sn,8.0,AB4C3_mP8_6_a_2a2b_a2b:In-Se-Sn +mp-628768,In4SnSe4,-3.8837183032,-0.6615013381,0.0018505807,0.0018505807,GGA,Pa-3,A4B4C_cP72_205_cd_cd_c:In-Se-Sn,72.0,"Invalid WP multiplicities - A4B4C_cP72_205_5c6d_6c7d_c:In-Se-Sn, expected In23SnSe27 to be In4SnSe4" +mp-1224129,InCuSnSe4,-4.2062413014,-0.6570829921,0.005165725,0.005165725,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Cu-In-Se-Sn,7.0,ABC4D_tI14_82_a_b_g_c:Cu-In-Se-Sn +mp-1225727,DyTiFe11,-8.2035344408,-0.0748796587,0.0118463585,0.0118463585,GGA,Imm2,AB11C_oI26_44_a_a2b2ce_a:Dy-Fe-Ti,13.0,AB11C_oI26_44_a_a2b2ce_a:Dy-Fe-Ti +mp-1225807,DyTiFe5Co6,-7.6322666169,-0.1320903341,0.0232143233,0.0232143233,GGA,Imm2,A6BC5D_oI26_44_ab2c_a_be_a:Co-Dy-Fe-Ti,13.0,A6BC5D_oI26_44_ab2c_a_be_a:Co-Dy-Fe-Ti +mp-1225671,DyTiCo11,-7.11510323,-0.1386590299,0.0121661339,0.0121661339,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Co-Dy-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Co-Dy-Ti +mp-999054,Ti2GaCo,-6.75242666,-0.2705771973,0.1743140897,0.1743140897,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-Ga-Ti,4.0,ABC2_cF16_216_a_c_bd:Co-Ga-Ti +mp-1194136,Ti6Ga16Co7,-5.3960760076,-0.3760514205,0.0431329563,0.0431329563,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Co-Ga-Ti,29.0,A7B16C6_cF116_225_ad_2f_e:Co-Ga-Ti +mp-1217150,Ti4GaCo2Si,-7.090049895,-0.3085476814,0.2422600114,0.2422600114,GGA,R3m,A2BCD4_hR24_160_2a_a_a_4a:Co-Ga-Si-Ti,8.0,A2BCD4_hR24_160_2a_a_a_4a:Co-Ga-Si-Ti +mp-1217174,Ti8GaCo4Si3,-7.2571640638,-0.3258354746,0.2779304209,0.2779304209,GGA,R3m,A4BC3D8_hR48_160_4a_a_3a_8a:Co-Ga-Si-Ti,16.0,A4BC3D8_hR48_160_4a_a_3a_8a:Co-Ga-Si-Ti +mp-20145,TiGaCo2,-6.812786675,-0.5277307677,0.0,-0.18646936,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Ti +mp-1025229,TiGa5Co,-4.6391715729000005,-0.3328444408,0.0096942475,0.0096942475,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Ti,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Ti +mp-1217313,Ti8Ga3Co4Si,-6.9185191706,-0.2868433324,0.2110061574,0.2110061574,GGA,R3m,A4B3CD8_hR48_160_4a_3a_a_8a:Co-Ga-Si-Ti,16.0,A4B3CD8_hR48_160_4a_3a_a_8a:Co-Ga-Si-Ti +mp-1210374,Na2SmCl5,-4.4848855178,-2.4090955151,0.0,-0.0241524428,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-Na-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Cl-Na-Sm +mp-1113741,Na2LiSmCl6,-4.261865581,-2.2254876261,0.1291736427,0.1291736427,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sm +mp-676129,NaSm2Cl6,-4.8534508411,-2.4255711163,0.0245370359,0.0245370359,GGA,P3,A6BC2_hP27_143_6d_abc_2d:Cl-Na-Sm,27.0,"Invalid WP multiplicities - A6BC2_hP27_143_18d_abc_6d:Cl-Na-Sm, expected NaSm6Cl18 to be NaSm2Cl6" +mp-1113506,Na3SmCl6,-4.184962163,-2.2072239655,0.1419757623,0.1419757623,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Sm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Sm +mp-1113363,Cs2CeCuCl6,-4.428052655,-2.1366206021,0.074237097,0.074237097,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Cu +mp-1225552,DyMnFe,-7.3839756017,0.0289655124,0.0697668158,0.0697668158,GGA,Imma,ABC_oI12_74_e_a_c:Dy-Fe-Mn,6.0,ABC_oI12_74_e_a_c:Dy-Fe-Mn +mp-1225535,Dy18Mn(FeBi3)2,-5.2966991252,-0.4053229914,0.0200619312,0.0200619312,GGA,Amm2,A6B18C2D_oC54_38_3e_ab4d4e_d_a:Bi-Dy-Fe-Mn,27.0,"Invalid WP multiplicities - A6B18C2D_oC54_38_5e_ab6d6e_d_a:Bi-Dy-Fe-Mn, expected Dy26Mn(FeBi5)2 to be Dy18Mn(FeBi3)2" +mp-1205871,Dy6FeBi2,-5.2959617556,-0.4302150322,0.0,-0.0018229795,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Dy-Fe,9.0,A2B6C_hP9_189_c_fg_b:Bi-Dy-Fe +mp-1207016,Dy6MnBi2,-5.3582386656,-0.4156037109,0.0001209924,0.0001209924,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Dy-Mn,9.0,A2B6C_hP9_189_c_fg_b:Bi-Dy-Mn +mp-567498,Rb2NaTmCl6,-4.353718983,-2.4686541008000003,0.0315789435,0.0315789435,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Tm +mp-677308,NaPr2Cl6,-4.8979462433,-2.4562177141,0.0556371043,0.0556371043,GGA,P2_1/c,A6BC2_mP18_14_3e_a_e:Cl-Na-Pr,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_9e_a_e:Cl-Na-Pr, expected NaPr2Cl18 to be NaPr2Cl6" +mp-1220950,NaPr2Cl6,-4.8983943244,-2.4566657952,0.0551890231,0.0551890231,GGA,P-3,A6BC2_hP9_147_g_a_d:Cl-Na-Pr,9.0,A6BC2_hP9_147_g_a_d:Cl-Na-Pr +mp-1111820,Cs2NaPrCl6,-4.37362931,-2.4750837347,0.0,-3.85348e-05,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Pr +mp-1111889,Na3PrCl6,-4.170755457,-2.1867852975,0.182232262,0.182232262,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Pr,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Pr +mp-676095,Na3Pr5Cl18,-4.9454397769,-2.5936796025,0.0147850165,0.0147850165,GGA,P-6,A18B3C5_hP26_174_jk2l_ai_dgh:Cl-Na-Pr,26.0,"Invalid WP multiplicities - A18B3C5_hP26_174_3j3k6l_ai_dgh:Cl-Na-Pr, expected Na3Pr5Cl54 to be Na3Pr5Cl18" +mp-1193446,Mn2SnSe4,-5.7984485614,-0.6102702257,0.0132297607,0.0132297607,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mn-Se-Sn,28.0,A2B4C_oP28_62_ac_2cd_c:Mn-Se-Sn +mp-1210929,MnAg2SnSe4,-4.633422615,-0.530879482,0.0,-0.0252171441,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-Se-Sn,16.0,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-Se-Sn +mp-1226770,CdIn4TeAs4,-3.438664788,-0.0677243687,0.249067382,0.249067382,GGA,I4/mmm,A4BC4D_tI20_139_2e_a_2e_b:As-Cd-In-Te,10.0,"Invalid WP multiplicities - A4BC4D_tI20_139_3e_a_3e_b:As-Cd-In-Te, expected CdIn6TeAs6 to be CdIn4TeAs4" +mp-1224061,In2TeAs,-3.57437083,-0.2479228904,0.116332665,0.116332665,GGA,P-4m2,AB2C_tP4_115_a_g_c:As-In-Te,4.0,AB2C_tP4_115_a_g_c:As-In-Te +mp-1223841,In2TeAs,-3.569968445,-0.2435205054,0.12073505,0.12073505,GGA,R3m,AB2C_hR12_160_a_2a_a:As-In-Te,4.0,AB2C_hR12_160_a_2a_a:As-In-Te +mp-1226849,CdIn3Te4As,-3.4556325767,-0.5211566957,0.0094050167,0.0094050167,GGA,P1,ABC3D4_aP9_1_a_a_3a_4a:As-Cd-In-Te,9.0,ABC3D4_aP9_1_a_a_3a_4a:As-Cd-In-Te +mp-1226829,Cd4InTe4As,-2.721186385,-0.3536279102,0.22755151,0.22755151,GGA,I4/mmm,AB4CD4_tI20_139_a_2e_b_2e:As-Cd-In-Te,10.0,"Invalid WP multiplicities - AB4CD4_tI20_139_a_3e_b_2e:As-Cd-In-Te, expected Cd6InTe4As to be Cd4InTe4As" +mp-1102849,BaErAgSe3,-5.0668446733,-1.7656806423,0.0,-0.0240630181,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Er-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Er-Se +mp-1192805,Ba(ErSe2)2,-5.8137686575,-2.2369031617,0.0,-0.0431185429,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Er-Se,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Er-Se +mp-4044,ErAgSe2,-5.0330744406,-1.4350499985,0.0,-0.0022331778,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Ag-Er-Se,16.0,ABC2_oP16_19_a_a_2a:Ag-Er-Se +mp-1225486,ErAgSe2,-4.921734375,-1.3237099328,0.1113400656,0.1091068878,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Er-Se,4.0,ABC2_tP4_123_a_d_bc:Ag-Er-Se +mp-33882,ErAgSe2,-4.9933305662,-1.3953061241,0.0397438744,0.0375106966,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Er-Se,8.0,ABC2_tI16_141_a_b_e:Ag-Er-Se +mp-11519,NiSnRh2,-6.38118688,-0.2516058113,0.0203750888,0.0203750888,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Ni-Rh-Sn +mp-1221328,MnNiSnRh,-6.8414354425,-0.2624275182,0.0462444315,0.0462444315,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Mn-Ni-Rh-Sn,4.0,ABCD_cF16_216_a_c_d_b:Mn-Ni-Rh-Sn +mp-4990,MnSnRh2,-7.4101133275,-0.4350626057,0.0,-0.1144551956,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Sn +mp-1224389,Ge3PbSe4,-4.4558984462,-0.510226378,0.0277111094,0.0277111094,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Ge-Pb-Se,8.0,A3BC4_mP8_6_a2b_a_2a2b:Ge-Pb-Se +mp-1224448,GeTe4Pb3,-4.0381334613,-0.4963593815,0.042002855,0.042002855,GGA,P4/mmm,AB3C4_tP8_123_a_bh_cdg:Ge-Pb-Te,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2h_cd2g:Ge-Pb-Te, expected GeTe6Pb5 to be GeTe4Pb3" +mp-1224368,GeTe(PbSe)2,-4.3022194883,-0.6049776811,0.027189235,0.027189235,GGA,P3m1,AB2C2D_hP6_156_a_bc_ab_c:Ge-Pb-Se-Te,6.0,AB2C2D_hP6_156_a_bc_ab_c:Ge-Pb-Se-Te +mp-1224318,GeTe2Pb,-4.0356088525,-0.3800371746,0.079944115,0.079944115,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ge-Pb-Te,4.0,ABC2_tP4_123_a_d_bc:Ge-Pb-Te +mp-1224514,GeTe5Pb4,-4.054574476,-0.5355599158000001,0.01847851,0.01847851,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Ge-Pb-Te,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:Ge-Pb-Te, expected Ge(Te3Pb2)3 to be GeTe5Pb4" +mp-1183625,CaYbIn2,-2.739963285,-0.47781938,0.0061713575,0.0061713575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-In-Yb,,AB2C_cF16_225_a_c_b:Ca-In-Yb +mp-1227085,CaYb3(InGe2)2,-3.636013743,-0.574023383,0.0075450615,0.0075450615,GGA,Amm2,AB4C2D3_oC20_38_a_2be_e_ad:Ca-Ge-In-Yb,,AB4C2D3_oC20_38_a_2be_e_ad:Ca-Ge-In-Yb +mp-1223671,InGaSe2,-3.9354422775,-0.7425416005000001,0.0442915137,0.0442915137,GGA,I4cm,ABC2_tI16_108_b_a_c:Ga-In-Se,8.0,ABC2_tI16_108_b_a_c:Ga-In-Se +mp-675525,InGaSe2,-3.9338030231,-0.7409023462000001,0.0459307681,0.0459307681,GGA,P4/ncc,ABC2_tP16_130_b_c_f:Ga-In-Se,16.0,ABC2_tP16_130_b_c_f:Ga-In-Se +mp-1095059,InGaSe2,-3.916220825,-0.723320148,0.0635129662,0.0635129662,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Ga-In-Se,8.0,ABC2_tI16_140_b_a_h:Ga-In-Se +mp-504952,InGaSe3,-4.099145874,-0.8456430369,0.0,-0.0106505097,GGA,P6_1,ABC3_hP30_169_a_a_3a:Ga-In-Se,30.0,ABC3_hP30_169_a_a_3a:Ga-In-Se +mp-680555,TlGaSe2,-3.9081938672,-0.8125533361,0.00429368,-0.0911704768,GGA,Cc,AB2C_mC64_9_4a_8a_4a:Ga-Se-Tl,32.0,"Invalid WP multiplicities - AB2C_mC64_9_7a_15a_8a:Ga-Se-Tl, expected Tl8Ga7Se15 to be TlGaSe2" +mp-17254,TlGaSe2,-3.9124875472,-0.8168470161,0.0,-0.0954641568,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Ga-Se-Tl,32.0,"Invalid WP multiplicities - AB2C_mC64_15_3f_2e5f_2f:Ga-Se-Tl, expected Tl2(GaSe2)3 to be TlGaSe2" +mp-9580,TlGaSe2,-3.896207555,-0.8005670239,0.0162799922,-0.0791841646,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Ga-Se-Tl,8.0,AB2C_tI16_140_b_h_a:Ga-Se-Tl +mp-1216619,TlIn2GaSe4,-3.8450171288,-0.7352980613,0.0462609011,0.0462609011,GGA,I222,AB2C4D_oI16_23_a_bc_k_d:Ga-In-Se-Tl,8.0,AB2C4D_oI16_23_a_bc_k_d:Ga-In-Se-Tl +mp-505448,NaHfCuSe3,-5.5999912696,-1.2888820318,0.0,-0.0404620458,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Hf-Na-Se,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Hf-Na-Se +mp-571189,NaHf2CuSe5,-6.1721461978,-1.4148498187,0.0,-0.0022596281,GGA,Cmcm,AB2CD5_oC36_63_c_f_c_c2f:Cu-Hf-Na-Se,18.0,"Invalid WP multiplicities - AB2CD5_oC36_63_c_f_c_2c5f:Cu-Hf-Na-Se, expected NaHf2CuSe12 to be NaHf2CuSe5" +mp-38442,CsNd5Se8,-5.7975827457,-2.0330519346,0.0286459648,0.0286459648,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Cs-Nd-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_cg_5g:Cs-Nd-Se, expected Cs(NdSe4)5 to be CsNd5Se8" +mp-510065,CsNdHgSe3,-4.2112898392,-1.4687957387,0.0,-0.0613693812,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cs-Hg-Nd-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Cs-Hg-Nd-Se, expected CsNdHgSe5 to be CsNdHgSe3" +mp-18513,Ba2MnSe3,-5.687246415,-1.7726298142,0.0,-0.0523665417,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Mn-Se,24.0,A2BC3_oP24_62_2c_c_3c:Ba-Mn-Se +mp-22679,Ba(MnSn)2,-5.782502312,-0.1300724652,0.2205082748,0.2205082748,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Mn-Sn,5.0,AB2C2_tI10_139_a_d_e:Ba-Mn-Sn +mp-1181925,CaScCu3Se4,-4.91697216,-1.0703793927,0.1188279708,0.1188279708,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Sc-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Sc-Se +mp-12343,CsSmZnTe3,-4.0337841058,-1.3165091397,0.0,-0.0618726699,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Sm-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_c2f_c:Cs-Sm-Te-Zn, expected CsSmZnTe5 to be CsSmZnTe3" +mp-1226347,CrGa3(CoSe4)2,-4.9186520164,-0.5671332344000001,0.1977408076,0.1977408076,GGA,Cm,A2BC3D8_mC28_8_2a_a_3a_8a:Co-Cr-Ga-Se,14.0,A2BC3D8_mC28_8_2a_a_3a_8a:Co-Cr-Ga-Se +mp-1112505,Cs2AlTlCl6,-3.903858005,-2.0048336369,0.0407648837,0.0407648837,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Tl +mp-567716,AlTlCl4,-4.08834167,-1.8379474006,0.0,-0.0860713242,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Cl-Tl,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_6c5d_c:Al-Cl-Tl, expected AlTlCl16 to be AlTlCl4" +mp-1226175,Cs2Al7Tl,-2.850860174,0.1863876961,0.1863876961,0.1863876961,GGA,P4mm,A7B2C_tP10_99_a2b2c_ab_a:Al-Cs-Tl,10.0,"Invalid WP multiplicities - A7B2C_tP10_99_a2b4c_ab_a:Al-Cs-Tl, expected Cs2Al11Tl to be Cs2Al7Tl" +mp-1097448,Ta2CoRe,-6.3703706275,4.4467294325,4.6715677724,4.6715677724,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Co-Re-Ta +mp-1204251,Ta8CoSe8,-8.5186537785,-0.8752519752,0.0,-0.0138323799,GGA,Pnma,AB8C8_oP68_62_c_8c_8c:Co-Se-Ta,68.0,AB8C8_oP68_62_c_8c_8c:Co-Se-Ta +mp-21584,Ta11(CoSe4)2,-8.9636630055,-0.7436877035,0.0020975267,0.0020975267,GGA,Pnnm,A2B8C11_oP42_58_g_4g_a5g:Co-Se-Ta,42.0,A2B8C11_oP42_58_g_4g_a5g:Co-Se-Ta +mp-1217807,Ta2Co(ReSe4)2,-7.0624778431,-0.6255379011000001,0.2288109941,0.2288109941,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:Co-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:Co-Re-Se-Ta +mp-996943,Cs2NaInBr6,-3.290426344,-1.7721079692,0.0,-0.0340711615,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Na +mp-1111704,Na3InBr6,-3.098406718,-1.494663759,0.1588493615,0.1588493615,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-In-Na,10.0,A6BC3_cF40_225_e_a_bc:Br-In-Na +mp-28569,NaInBr4,-3.2055775575,-1.4911905003,0.006912115,0.006912115,GGA,P2_12_12_1,A4BC_oP24_19_4a_a_a:Br-In-Na,24.0,"Invalid WP multiplicities - A4BC_oP24_19_10a_a_a:Br-In-Na, expected NaInBr10 to be NaInBr4" +mp-1214812,Cs3(Na13In24)2,-2.3375401788,-0.1407520777,0.0,-0.0270504006,GGA,Pm-3n,A3B48C26_cP154_223_b_2kl_cdik:Cs-In-Na,154.0,A3B48C26_cP154_223_b_2kl_cdik:Cs-In-Na +mp-581749,CsTm2Cu3Se5,-4.9150406205,-1.3128360189,0.0,-0.0165749993,GGA,Cmcm,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Tm,22.0,"Invalid WP multiplicities - AB3C5D2_oC44_63_c_2c3f_2c7f_f:Cs-Cu-Se-Tm, expected CsTm2(CuSe2)8 to be CsTm2Cu3Se5" +mp-36209,TmCuSe2,-5.3254138425,-1.4336975803,0.0110647438,0.0110647438,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Se-Tm,4.0,AB2C_hP4_156_a_ab_c:Cu-Se-Tm +mp-1068908,Ce(GeAu)2,-4.848879938,-0.503498165,0.0,-0.0390810902,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ce-Ge,5.0,A2BC2_tI10_139_d_a_e:Au-Ce-Ge +mp-1206928,CeAlGe,-5.3629214433,-0.5956904967000001,0.0,-0.0334598107,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ce-Ge,6.0,ABC_tI12_109_a_a_a:Al-Ce-Ge +mp-7101,Ce(AlGe)2,-4.942808164,-0.408748859,0.0124012255,0.0124012255,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ce-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Ce-Ge +mp-18232,Ce2Al3Ge4,-5.0896131183,-0.4679445383,0.0,-0.0243691022,GGA,Cmce,A3B2C4_oC36_64_ae_f_ef:Al-Ce-Ge,18.0,"Invalid WP multiplicities - A3B2C4_oC36_64_ae_f_e2f:Al-Ce-Ge, expected Ce2(AlGe2)3 to be Ce2Al3Ge4" +mp-12017,CeAl4Ge2Au,-4.6013962525,-0.4219799794,0.0,-0.0001154153,GGA,R-3m,A4BCD2_hR24_166_2c_a_b_c:Al-Au-Ce-Ge,8.0,"Invalid WP multiplicities - A4BCD2_hR24_166_4c_a_b_c:Al-Au-Ce-Ge, expected CeAl8Ge2Au to be CeAl4Ge2Au" +mp-1105912,Ce2AlGe6,-5.2544326639,-0.437774745,0.0,-0.0098194059,GGA,C2/m,AB2C6_mC36_12_i_j_4ij:Al-Ce-Ge,18.0,AB2C6_mC36_12_i_j_4ij:Al-Ce-Ge +mp-1207374,Ce2Ge6Au,-5.1519469111,-0.3876994178,0.0651179058,0.0651179058,GGA,Amm2,AB2C6_oC18_38_a_2b_4a2b:Au-Ce-Ge,9.0,AB2C6_oC18_38_a_2b_4a2b:Au-Ce-Ge +mp-20562,CeGeAu,-5.3282695667,-0.7182698967000001,0.028240965,-0.0809869708,GGA,Pnma,ABC_oP12_62_c_c_c:Au-Ce-Ge,12.0,ABC_oP12_62_c_c_c:Au-Ce-Ge +mp-4219,CeGeAu,-5.3565105317,-0.7465108617,0.0,-0.1092279358,GGA,P6_3mc,ABC_hP6_186_b_a_b:Au-Ce-Ge,6.0,ABC_hP6_186_b_a_b:Au-Ce-Ge +mp-20275,CeGeAu,-5.2195120033,-0.6095123333,0.1369985283,0.0277705925,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Ce-Ge,3.0,ABC_cF12_216_c_a_b:Au-Ce-Ge +mp-1220711,Nb3FeSe10,-6.2154529843,-0.9488064767,0.0218804293,0.0218804293,GGA,Pm,AB3C10_mP14_6_a_a2b_5a5b:Fe-Nb-Se,14.0,AB3C10_mP14_6_a_a2b_5a5b:Fe-Nb-Se +mp-1193638,Nb4FeSe8,-6.9896239658,-1.0786598741,0.0,-0.0115789673,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Fe-Nb-Se,26.0,AB4C8_hP26_194_a_bh_fk:Fe-Nb-Se +mp-1217949,TaNb2FeSe10,-6.3428178157,-0.9507089802,0.0180500458,0.0180500458,GGA,Pm,AB2C10D_mP14_6_a_ab_5a5b_b:Fe-Nb-Se-Ta,14.0,AB2C10D_mP14_6_a_ab_5a5b_b:Fe-Nb-Se-Ta +mp-21656,Ta11(FeSe4)2,-9.0805075188,-0.7308461773,0.0,-0.0293847113,GGA,Pnnm,A2B8C11_oP42_58_g_4g_a5g:Fe-Se-Ta,42.0,A2B8C11_oP42_58_g_4g_a5g:Fe-Se-Ta +mp-1193286,Nb2FeSe4,-6.9287331571,-0.8349792713,0.1666334689,0.1666334689,GGA,P6_3/mmc,AB2C4_hP28_194_ac_bh_fk:Fe-Nb-Se,28.0,AB2C4_hP28_194_ac_bh_fk:Fe-Nb-Se +mp-1209948,NbFeSe5,-5.9446748057,-0.7945485717,0.0719339009,0.0719339009,GGA,P2_1/m,ABC5_mP14_11_e_e_5e:Fe-Nb-Se,14.0,ABC5_mP14_11_e_e_5e:Fe-Nb-Se +mp-1190037,Nb3FeSe6,-7.0123147325,-1.0373742129,0.0143191644,0.0143191644,GGA,P6_322,AB3C6_hP20_182_c_af_i:Fe-Nb-Se,20.0,AB3C6_hP20_182_c_af_i:Fe-Nb-Se +mp-1228861,AlNi6Pd,-5.6355576538,-0.1847729388,0.0795937322,0.0795937322,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Al-Ni-Pd,8.0,AB6C_tP8_123_a_cdi_b:Al-Ni-Pd +mp-1191827,Tb3(AlNi3)2,-5.6506552841,-0.5529216441,0.0,-0.027300185,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Al-Ni-Tb,22.0,A2B6C3_cI44_229_c_h_e:Al-Ni-Tb +mp-1191846,Tb3AlNi8,-5.7664081529,-0.4422608554,0.0345937337,0.0345937337,GGA,P6_3/mmc,AB8C3_hP24_194_a_bck_df:Al-Ni-Tb,24.0,AB8C3_hP24_194_a_bck_df:Al-Ni-Tb +mp-1217703,Tb3Al3NiPd2,-5.3802969856,-0.7936607533000001,0.0,-0.0128250989,GGA,P-62m,A3BC2D3_hP9_189_f_b_c_g:Al-Ni-Pd-Tb,9.0,A3BC2D3_hP9_189_f_b_c_g:Al-Ni-Pd-Tb +mp-16516,TbAl2Ni,-5.111891835,-0.6354782250000001,0.0,-0.0296970824,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Tb,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Tb +mp-1208327,TbAl3Ni2,-5.2276847294,-0.6557902378,0.0,-0.0125247561,GGA,P6/mmm,A3B2C_hP18_191_fk_l_ad:Al-Ni-Tb,18.0,A3B2C_hP18_191_fk_l_ad:Al-Ni-Tb +mp-4353,TbAl4Ni,-4.789265585,-0.5564645683,0.0,-0.0256770996,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ni-Tb,12.0,A4BC_oC24_63_acf_c_c:Al-Ni-Tb +mp-1069297,Tb2AlNi2,-5.445719192,-0.530802914,0.0,-0.001122229,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Tb,5.0,AB2C2_oI10_71_a_f_h:Al-Ni-Tb +mp-1228554,Al2Ni9Pd,-5.6586341,-0.2676121342,0.0533308015,0.0533308015,GGA,P4/mmm,A2B9C_tP12_123_g_cehi_a:Al-Ni-Pd,12.0,"Invalid WP multiplicities - A2B9C_tP12_123_g_c2eh3i_a:Al-Ni-Pd, expected Al2Ni19Pd to be Al2Ni9Pd" +mp-1208555,Tb2(Al3Pd)3,-4.8749451136,-0.6950479636,0.0002202697,0.0002202697,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Tb,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Tb +mp-1217596,TbAl8Ni3,-4.6304429692,-0.3021610708,0.2363922236,0.2363922236,GGA,Amm2,A8B3C_oC24_38_ab3c_a2b_a:Al-Ni-Tb,12.0,"Invalid WP multiplicities - A8B3C_oC24_38_ab5c_a2b_a:Al-Ni-Tb, expected Tb(Al4Ni)3 to be TbAl8Ni3" +mp-1208456,Tb4(Al8Pd3)3,-4.9069126541,-0.7163661511,0.0,-0.0302407717,GGA,P-1,A24B9C4_aP37_2_12i_a4i_2i:Al-Pd-Tb,37.0,A24B9C4_aP37_2_12i_a4i_2i:Al-Pd-Tb +mp-1217601,TbAlNi,-5.2230590583,-0.5030328550000001,0.088103805,0.0742924194,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Tb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Tb, expected Tb3(AlNi)2 to be TbAlNi" +mp-1217612,TbAlNi,-5.2098186992,-0.4897924958,0.1013441642,0.0875327786,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Ni-Tb,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Ni-Tb, expected Tb3(AlNi)2 to be TbAlNi" +mp-11538,TbAlNi,-5.3111628633,-0.59113666,0.0,-0.0138113856,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Tb,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Tb +mp-1217581,TbAlNi4,-5.7713850217000005,-0.52130358,0.0,-0.0321300833,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Ni-Tb,6.0,AB4C_oC12_65_a_eh_c:Al-Ni-Tb +mp-1217595,TbAlNi4,-5.70941112,-0.4593296783,0.0619739017,0.0298438183,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Ni-Tb,6.0,AB4C_hP6_187_a_ck_e:Al-Ni-Tb +mp-12722,TbAlPd,-5.3956263983,-0.8756851517,0.0,-0.0892636694,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pd-Tb,12.0,ABC_oP12_62_c_c_c:Al-Pd-Tb +mp-3197,TbAlPd,-5.3929965456,-0.8730552989,0.0026298528,-0.0866338166,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pd-Tb,9.0,ABC_hP9_189_f_bc_g:Al-Pd-Tb +mp-20844,Dy3(CuSn)4,-4.71374391,-0.5087007627,0.0,-0.0116295023,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Dy-Sn,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_2eh:Cu-Dy-Sn, expected Dy3(Cu2Sn3)2 to be Dy3(CuSn)4" +mp-1205491,Dy2Cu4Sn5,-4.3711859391,-0.2204350632,0.1254464208,0.1254464208,GGA,I4mm,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Dy-Sn,,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Dy-Sn +mp-1225912,Dy4Cu7Sn11,-4.4205605173,-0.2738839511,0.0709747392,0.0709747392,GGA,P4mm,A7B4C11_tP22_99_2ab2c_2a2b_a2b4c:Cu-Dy-Sn,22.0,"Invalid WP multiplicities - A7B4C11_tP22_99_2ab4c_2a2b_a2b8c:Cu-Dy-Sn, expected Dy4Cu11Sn19 to be Dy4Cu7Sn11" +mp-510539,Dy3CuSnSe7,-5.3999701529,-1.5332602039,0.0228058144,0.0228058144,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Dy-Se-Sn,24.0,AB3C7D_hP24_173_a_c_b2c_b:Cu-Dy-Se-Sn +mp-1212997,DyCu5Sn,-4.4155077411,-0.2565945918,0.0015559439,0.0015559439,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Dy-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Dy-Sn +mp-22188,DyCuSn,-4.8408730383,-0.60235125,0.0,-0.0784202761,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Dy-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Dy-Sn +mp-1072824,DyCuSn,-4.79766318,-0.5591413917,0.0432098583,-0.0352104178,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Dy-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Dy-Sn +mp-1222956,LaAlCuNi3,-5.4314319300000005,-0.4112319892,0.0131650026,0.0131650026,GGA,P2/m,ABCD3_mP6_10_a_c_h_dn:Al-Cu-La-Ni,6.0,ABCD3_mP6_10_a_c_e_gn:Al-Cu-La-Ni +mp-1222984,LaAlCuNi3,-5.4100547217,-0.3898547808,0.034542211,0.034542211,GGA,P-6m2,ABCD3_hP6_187_a_c_e_k:Al-Cu-La-Ni,6.0,ABCD3_hP6_187_a_c_e_k:Al-Cu-La-Ni +mp-1225981,La2Al7Ni,-4.689228196,-0.502110026,0.0055897977,0.0055897977,GGA,I4_1md,A7B2C_tI40_109_3ac_2a_a:Al-La-Ni,20.0,"Invalid WP multiplicities - A7B2C_tI40_109_6ac_3a_a:Al-La-Ni, expected La3Al10Ni to be La2Al7Ni" +mp-1222929,LaAlNi4,-5.7659421783,-0.4655872358,0.0,-0.0229670303,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-La-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-La-Ni +mp-1222982,LaAlNi4,-5.7172930717,-0.4169381292,0.0486491067,0.0256820764,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-La-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-La-Ni +mp-569071,La5Al3Ni2,-5.1474031895,-0.399699552,0.0,-0.0021306938,GGA,Cmcm,A3B5C2_oC40_63_ce_ceg_f:Al-La-Ni,20.0,"Invalid WP multiplicities - A3B5C2_oC40_63_2c2e_2c3e3g_f:Al-La-Ni, expected La7Al3Ni to be La5Al3Ni2" +mp-1222916,LaCu2Ni3,-5.33981331,-0.2606748958,0.0,-0.0051512339,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:Cu-La-Ni,6.0,A2BC3_hP6_191_c_a_g:Cu-La-Ni +mp-1223292,La2(CuNi)5,-5.1861319483,-0.247071035,0.0002004125,0.0002004125,GGA,Pmmm,A5B2C5_oP12_47_eij_bc_hx:Cu-La-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oP12_47_e2ij_bc_hx:Cu-La-Ni, expected La2Cu7Ni5 to be La2(CuNi)5" +mp-1222960,LaCuNi4,-5.6317223317,-0.2724289158,0.0,-0.0012365242,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Cu-La-Ni,6.0,ABC4_hP6_187_a_c_ek:Cu-La-Ni +mp-1222942,LaCu3Ni2,-5.0328514117,-0.2338679992,0.0,-0.006387495,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Cu-La-Ni,6.0,A3BC2_hP6_191_g_a_c:Cu-La-Ni +mp-1080524,LaAl5Ni2,-5.01038733,-0.6073673781000001,0.0,-0.0362135488,GGA,Immm,A5BC2_oI16_71_am_c_e:Al-La-Ni,8.0,A5BC2_oI16_71_am_c_e:Al-La-Ni +mp-1211364,LaAlNi,-5.3456554279,-0.5250822229000001,0.0,-0.0237147803,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Al-La-Ni,24.0,ABC_oP24_62_2c_2c_2c:Al-La-Ni +mp-1211232,LaAl3Ni2,-5.2525603275,-0.630392335,0.0,-0.0390149826,GGA,Cmcm,A3BC2_oC24_63_cg_c_e:Al-La-Ni,12.0,A3BC2_oC24_63_cg_c_e:Al-La-Ni +mp-1223291,La2Cu3Ni,-4.9016158683,-0.2433207183,0.0041176464,0.0041176464,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Cu-La-Ni,6.0,A3B2C_oP6_25_a2b_cd_a:Cu-La-Ni +mp-568040,La2AlNi9,-5.8453254742,-0.3754237942,0.0,-0.0017752325,GGA,Cmmm,AB2C9_oC24_65_b_k_cefn:Al-La-Ni,12.0,"Invalid WP multiplicities - AB2C9_oC24_65_b_k_c2ef3n:Al-La-Ni, expected La2AlNi19 to be La2AlNi9" +mp-1191000,Eu3(SiNi3)2,-7.3453628155,-0.4087754027,0.0115600331,0.0115600331,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Eu-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Eu-Ni-Si +mp-1025553,EuSi2Ni,-7.38478251,-0.662838875,0.0,-0.0757917096,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Eu-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Eu-Ni-Si +mp-1225476,Eu2NiGe3,-7.2441166517,-0.5502460108,0.0974425,0.0974425,GGA,P3m1,A2B3C_hP6_156_2b_a2c_a:Eu-Ge-Ni,6.0,A2B3C_hP6_156_2b_a2c_a:Eu-Ge-Ni +mp-974769,EuNiGe3,-6.509523508,-0.528279099,0.0,-0.037379927,GGA,I4mm,AB3C_tI10_107_a_ab_a:Eu-Ge-Ni,5.0,AB3C_tI10_107_a_ab_a:Eu-Ge-Ni +mp-3333,Eu(NiGe)2,-6.796193396,-0.5835272220000001,0.0,-0.0572033353,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Ni +mp-684000,Eu2Si3Ni8,-6.58553704,-0.1985331069,0.3234731887,0.2681053455,GGA,P4_2/nmc,A2B8C3_tP52_137_g_2gh_cf:Eu-Ni-Si,52.0,"Invalid WP multiplicities - A2B8C3_tP52_137_g_14g8h_4c4f:Eu-Ni-Si, expected Eu(SiNi5)6 to be Eu2Si3Ni8" +mp-1202253,Eu2Si3Ni8,-6.9090102287,-0.5220062956,0.0,-0.0553678432,GGA,P4_2/nmc,A2B8C3_tP52_137_g_2gh_df:Eu-Ni-Si,52.0,A2B8C3_tP52_137_g_2gh_df:Eu-Ni-Si +mp-5887,EuNiGe,-7.4787436567,-0.592021545,0.0,-0.058087543,GGA,P2_1/c,ABC_mP12_14_e_e_e:Eu-Ge-Ni,12.0,ABC_mP12_14_e_e_e:Eu-Ge-Ni +mp-1080556,EuNiGe2,-6.9344225125,-0.613623965,0.0,-0.0308902314,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Eu-Ge-Ni,8.0,AB2C_oC16_63_c_2c_c:Eu-Ge-Ni +mp-1219193,SiNi6Ge,-5.9647314288,-0.3735856831,0.0,-0.0081361537,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ge-Ni-Si,8.0,AB6C_tP8_123_a_cdi_b:Ge-Ni-Si +mp-4768,Eu(SiNi)2,-7.18169472,-0.648112476,0.0,-0.0413226755,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Eu-Ni-Si +mp-1225155,EuSiNi2Ge,-7.00212786,-0.629003651,0.0,-0.013183802,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Eu-Ge-Ni-Si,5.0,ABC2D_tI10_107_a_a_b_a:Eu-Ge-Ni-Si +mp-1225162,EuSi3Ni,-6.994201492,-0.531582978,0.0,-0.001311878,GGA,I4mm,ABC3_tI10_107_a_a_ab:Eu-Ni-Si,5.0,ABC3_tI10_107_a_a_ab:Eu-Ni-Si +mp-1225221,EuSi3Ni,-6.865311164,-0.40269265,0.128890328,0.12757845,GGA,I-4m2,ABC3_tI10_119_c_a_bf:Eu-Ni-Si,5.0,ABC3_tI10_119_c_a_bf:Eu-Ni-Si +mp-1193573,EuNi9Ge4,-6.1427635886,-0.37345335,0.0018681676,0.0018681676,GGA,I4/mcm,AB4C9_tI56_140_a_l_dkl:Eu-Ge-Ni,28.0,AB4C9_tI56_140_a_l_dkl:Eu-Ge-Ni +mp-1213407,EuNi9Ge4,-5.9365286857,-0.1672184471,0.2081030705,0.2081030705,GGA,I4/mcm,AB4C9_tI56_140_a_k_d2l:Eu-Ge-Ni,28.0,AB4C9_tI56_140_a_k_d2l:Eu-Ge-Ni +mp-1225271,Eu2Si3Ni,-7.61317604,-0.5181603117,0.1147470575,0.1147470575,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Eu-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Eu-Ni-Si +mp-1190872,EuSi2Ni9,-6.4941244433,-0.4000521117,0.0,-0.0438354911,GGA,I4_1/amd,AB9C2_tI48_141_b_ai_c:Eu-Ni-Si,24.0,AB9C2_tI48_141_b_ai_c:Eu-Ni-Si +mp-7876,Ba(MgGe)2,-3.344272952,-0.471154802,0.0,-0.0232128579,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Ge-Mg,5.0,AB2C2_tI10_139_a_e_d:Ba-Ge-Mg +mp-17491,Ba2LiGe3,-3.8338419463,-0.5645158943,0.0,-0.0117553787,GGA,Fddd,A2B3C_oF96_70_2f_eh_e:Ba-Ge-Li,24.0,"Invalid WP multiplicities - A2B3C_oF96_70_2f_e2h_e:Ba-Ge-Li, expected Ba2LiGe5 to be Ba2LiGe3" +mp-1021357,BaLiMg6,-1.6044812956,0.0742159677,0.1413744594,0.1413744594,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Li-Mg, expected BaLiMg12 to be BaLiMg6" +mp-1099308,BaLiMg6,-1.5668876525000002,0.1118096108,0.1789681025,0.1789681025,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Li-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ba-Li-Mg +mp-1078462,BaMg4Ge3,-3.1738551537,-0.4002078156,0.0,-0.0048945087,GGA,P4/mmm,AB3C4_tP8_123_a_bh_i:Ba-Ge-Mg,8.0,AB3C4_tP8_123_a_bh_i:Ba-Ge-Mg +mp-1096727,Ba2LiMg,-0.4958416625,1.3409465367,1.3709394025,1.3709394025,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Li-Mg,4.0,A2BC_oI8_71_e_a_b:Ba-Li-Mg +mp-1214821,Ba2MgGe2,-2.365707952,0.571149176,1.130084907,1.130084907,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ba-Ge-Mg,5.0,A2B2C_tP5_123_g_g_a:Ba-Ge-Mg +mp-13140,BaLiGe2,-3.7995162463,-0.5310278671,0.0,-0.0305365028,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-Ge-Li,16.0,AB2C_oP16_62_c_2c_c:Ba-Ge-Li +mp-1026840,BaLiMg14,-1.5742925575,0.0651960992,0.1154167662,0.1154167662,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Li-Mg, expected BaLiMg18 to be BaLiMg14" +mp-1026819,BaLiMg14,-1.5688140725,0.0706745842,0.1208952512,0.1208952512,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Li-Mg, expected BaLiMg26 to be BaLiMg14" +mp-569396,BaLi2(MgGe)2,-3.0272779529,-0.4296441695,0.0,-0.0117567807,GGA,R-3m,AB2C2D2_hR21_166_a_c_c_c:Ba-Ge-Li-Mg,7.0,AB2C2D2_hR21_166_a_c_c_c:Ba-Ge-Li-Mg +mp-30079,LiMg2Ge,-2.5837999825,-0.1506722771,0.118758367,0.118758367,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Mg +mp-754515,BaMgGe,-3.2481699583,-0.5340756767,0.0,-0.1041610461,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Ge-Mg,6.0,ABC_tP6_129_c_c_a:Ba-Ge-Mg +mp-1228121,Ba5Mg18Ge13,-3.1423202558,-0.4062292082,0.0,-0.0055929158,GGA,P31m,A5B13C18_hP36_157_bc_a2cd_2c2d:Ba-Ge-Mg,36.0,A5B13C18_hP36_157_bc_a2cd_2c2d:Ba-Ge-Mg +mp-1222651,Li2MgGe,-2.8410345825,-0.3307461729,0.0,-0.0286660295,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ge-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Ge-Li-Mg +mp-973325,Li2MgGe,-2.7897958375,-0.2795074279,0.051238745,0.0225727155,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Mg,4.0,AB2C_cF16_225_a_c_b:Ge-Li-Mg +mp-1225219,EuAl8SiAu4,-4.6799550093,-0.4840654043,0.0,-0.0207969482,GGA,P4mm,A8B4CD_tP14_99_4c_2a2b_a_b:Al-Au-Eu-Si,14.0,A8B4CD_tP14_99_4c_2a2b_a_b:Al-Au-Eu-Si +mp-1225249,EuAl3Si,-5.662240224,-0.27843076,0.028563793,0.028563793,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Eu-Si,5.0,A3BC_tI10_107_ab_a_a:Al-Eu-Si +mp-1103193,EuAlAu,-6.4363980608,-0.6775781842,0.0,-0.0217452675,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Eu,12.0,ABC_oP12_62_c_c_c:Al-Au-Eu +mp-1225642,Eu2Al6Si3Au2,-5.5149637785,-0.4525655731,0.0,-0.0158725927,GGA,I4mm,A6B2C2D3_tI26_107_3b_2a_2a_3a:Al-Au-Eu-Si,13.0,A6B2C2D3_tI26_107_3b_2a_2a_3a:Al-Au-Eu-Si +mp-1190659,Eu2(AlAu2)3,-5.3395329559,-0.6673490386,0.0,-0.0595424977,GGA,R-3c,A3B6C2_hR66_167_e_f_c:Al-Au-Eu,22.0,A3B6C2_hR66_167_e_f_c:Al-Au-Eu +mp-1225173,EuAlSi,-6.95063697,-0.47467175,0.0,-0.0445775008,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Eu-Si,3.0,ABC_hP3_187_a_d_e:Al-Eu-Si +mp-13485,Eu(AlAu)2,-5.543302289,-0.684118797,0.0,-0.0752042125,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Eu,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Eu +mp-1225441,Eu2Si3Au,-7.1996182233,-0.5223116083,0.0229663163,0.0229663163,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Au-Eu-Si,6.0,AB2C3_hP6_187_a_i_bcd:Au-Eu-Si +mp-21229,Eu(SiAu)2,-6.076782762,-0.54570239,0.0,-0.093246025,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Eu-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Eu-Si +mp-20595,Eu(AlSi)2,-6.04584364,-0.326085736,0.0,-0.040249246,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Eu-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Eu-Si +mp-1221669,MnCoSi2,-7.2528134988,-0.472571212,0.0347784875,0.0347784875,GGA,P2_1,ABC2_mP8_4_a_a_2a:Co-Mn-Si,8.0,ABC2_mP8_4_a_a_2a:Co-Mn-Si +mp-13082,Mn2CoSi,-8.0659497075,-0.3515331052,0.0240628713,0.0240628713,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Mn-Si,4.0,AB2C_cF16_216_a_bc_d:Co-Mn-Si +mp-1008224,CrCo2Si,-7.6304463225,-0.30669605,0.0184809444,0.0184809444,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Cr-Si,4.0,A2BC_cF16_225_c_a_b:Co-Cr-Si +mp-1097306,Mn2CrSi,-5.670054985,2.680544036,2.9976952404,2.9976952404,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Mn-Si,4.0,AB2C_oI8_71_a_e_b:Cr-Mn-Si +mp-1185616,Mn2CrSi,-8.6551128925,-0.3045138715,0.0126373329,0.0126373329,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Mn-Si,4.0,AB2C_cF16_225_a_c_b:Cr-Mn-Si +mp-1221634,MnCo2Si,-7.524110105,-0.323117877,0.11379898,0.0152371728,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Co-Mn-Si,4.0,A2BC_tP4_123_h_a_b:Co-Mn-Si +mp-4492,MnCo2Si,-7.637909085,-0.436916857,0.0,-0.0985618072,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mn-Si,4.0,A2BC_cF16_225_c_a_b:Co-Mn-Si +mp-19809,MnCoSi,-7.663444035,-0.4315603293,0.0123018612,0.0123018612,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Mn-Si,12.0,ABC_oP12_62_c_c_c:Co-Mn-Si +mp-10365,MnCoSi,-7.2603791817,-0.028495476,0.4153667146,0.4153667146,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Co-Mn-Si,6.0,ABC_hP6_194_c_d_a:Co-Mn-Si +mp-961696,MnCoSi,-7.4182227067,-0.186339001,0.2575231896,0.2575231896,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Mn-Si,3.0,ABC_cF12_216_c_a_b:Co-Mn-Si +mp-1221675,MnCrSi2,-7.7513360875,-0.334911382,0.0442940764,0.0442940764,GGA,P2_1,ABC2_mP8_4_a_a_2a:Cr-Mn-Si,8.0,ABC2_mP8_4_a_a_2a:Cr-Mn-Si +mp-1095673,CrCoSi,-7.7327584442,-0.3371973458,0.0798149764,0.0798149764,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Cr-Si,12.0,ABC_oP12_62_c_c_c:Co-Cr-Si +mp-1221846,Mn4Cr(Co2Si)5,-7.6383269605,-0.4127831236,0.0017857609,0.0017857609,GGA,R-3m,A10BC4D5_hR60_166_5c_a_2c_b2c:Co-Cr-Mn-Si,20.0,"Invalid WP multiplicities - A10BC4D5_hR60_166_10c_a_3c_b4c:Co-Cr-Mn-Si, expected Mn6CrCo20Si9 to be Mn4Cr(Co2Si)5" +mp-1226249,CrCoSi2,-7.2788766075,-0.3758762762,0.0763741014,0.0763741014,GGA,P2_1,ABC2_mP8_4_a_a_2a:Co-Cr-Si,8.0,ABC2_mP8_4_a_a_2a:Co-Cr-Si +mp-676143,Ce5AgSe8,-6.2201279171,-1.9011783743,0.0113613926,0.0113613926,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Ce-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_6g:Ag-Ce-Se, expected Ce9AgSe24 to be Ce5AgSe8" +mp-1080480,CeSi2Ag,-5.40720161,-0.5031313054000001,0.0,-0.0434393381,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ag-Ce-Si,8.0,ABC2_oC16_63_c_c_2c:Ag-Ce-Si +mp-5605,Ce(SiAg)2,-4.858517566,-0.3687501217,0.0337549227,0.0337549227,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Ce-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Ce-Si +mp-18071,Ce3SiAgSe7,-5.7705000812,-1.5597899278,0.0,-0.013027329,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Ce-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b4c_b:Ag-Ce-Se-Si, expected Ce3SiAgSe13 to be Ce3SiAgSe7" +mp-1226539,CeSiAg,-5.12089698,-0.3905759172,0.0326736747,0.0326736747,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Ce-Si,3.0,ABC_hP3_187_a_d_e:Ag-Ce-Si +mp-865101,NaLi2Bi,-2.7429925875,-0.4977775483,0.0,-0.0092616704,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Li-Na,4.0,AB2C_cF16_225_a_c_b:Bi-Li-Na +mp-1111739,Na2LiBiBr6,-3.236716807,-1.4654535506,0.163767832,0.163767832,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Li-Na +mp-1078258,Cs2AgBiCl6,-3.667407475,-1.7119004913,0.0,-0.0132366187,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-Cs +mp-1111628,Rb2TmAgCl6,-4.219980602,-2.1839126488,0.0,-0.0021513567,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tm +mp-1112989,Cs2NaEuCl6,-4.759966046,-2.3138108662,0.4649774128,0.4649774128,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Na +mp-676909,NaEu2Cl6,-6.1780167248,-2.5193779633,0.0,-0.0950411637,GGA,P3,A6B2C_hP27_143_6d_2d_abc:Cl-Eu-Na,27.0,"Invalid WP multiplicities - A6B2C_hP27_143_18d_4d_abc:Cl-Eu-Na, expected NaEu4Cl18 to be NaEu2Cl6" +mp-1210621,NaEuCl4,-5.4087534508,-2.2464744953,0.0341350028,0.0341350028,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Eu-Na,12.0,A4BC_aP12_2_4i_i_i:Cl-Eu-Na +mp-617407,Na2EuCl5,-4.9577515941,-2.1896596332,0.0482016349,0.0482016349,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Eu-Na,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_10c5d_c_d:Cl-Eu-Na, expected Na2EuCl20 to be Na2EuCl5" +mp-1202829,Ba2GaBiTe5,-4.13018903,-1.1942929745,0.01391469,0.01391469,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-Te,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-Te +mp-568508,CsRb(MnCl3)2,-4.9699917701,-1.8408730713,0.0,-1.25648e-05,GGA,P6_3/mmc,A6BC2D_hP80_194_2hijk_cg_fk_ah:Cl-Cs-Mn-Rb,80.0,"Invalid WP multiplicities - A6BC2D_hP80_194_12h9i9j9k_2c3g_2f2k_2a2h:Cl-Cs-Mn-Rb, expected Cs11Rb8(Mn8Cl99)2 to be CsRb(MnCl3)2" +mp-23556,Rb3Mn2Cl7,-4.7485915792,-1.8981424607,0.0016240433,0.0016240433,GGA,I4/mmm,A7B2C3_tI24_139_aeg_e_be:Cl-Mn-Rb,12.0,"Invalid WP multiplicities - A7B2C3_tI24_139_a2eg_e_be:Cl-Mn-Rb, expected Rb3Mn2Cl9 to be Rb3Mn2Cl7" +mp-568008,Rb3Mn2Cl7,-4.6392364067,-1.7887872882,0.1109792158,0.1109792158,GGA,I4/mmm,A7B2C3_tI24_139_aeg_e_be:Cl-Mn-Rb,12.0,"Invalid WP multiplicities - A7B2C3_tI24_139_a2e2g_e_be:Cl-Mn-Rb, expected Rb3Mn2Cl13 to be Rb3Mn2Cl7" +mp-571648,Rb2MnCl6,-4.3078137211,-1.8395577881,0.0,-0.3197094789,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Mn-Rb,9.0,A6BC2_cF36_225_e_a_c:Cl-Mn-Rb +mp-22978,Rb2MnCl4,-4.5994092657,-1.9540906833,0.0,-0.0064153579,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Mn-Rb,7.0,A4BC2_tI14_139_ce_a_e:Cl-Mn-Rb +mp-569309,RbMnCl3,-4.961344522,-1.8237126531,0.0,-0.0061956587,GGA,P6_3/mmc,A3BC_hP30_194_hk_af_bf:Cl-Mn-Rb,30.0,"Invalid WP multiplicities - A3BC_hP30_194_5h5k_2a2f_2b2f:Cl-Mn-Rb, expected Rb2Mn2Cl15 to be RbMnCl3" +mp-1191116,Gd3(GaNi3)2,-8.0672359027,-0.524928735,0.0,-0.0675338382,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Ga-Gd-Ni,22.0,A2B3C6_cI44_229_c_e_h:Ga-Gd-Ni +mp-1191156,Gd3GaNiSe7,-7.8668547304,-1.5745230832,0.0544134273,0.0544134273,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Ga-Gd-Ni-Se,24.0,AB3CD7_hP24_173_b_c_a_b2c:Ga-Gd-Ni-Se +mp-972759,Tm2Ni12As7,-5.80811408,-0.5258693256,0.0,-0.0068143372,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Tm,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Tm +mp-1207181,TmNiAs,-6.00167175,-1.0299749139,0.0117310483,-0.0094858389,GGA,P-6m2,ABC_hP3_187_a_c_f:As-Ni-Tm,3.0,ABC_hP3_187_a_c_f:As-Ni-Tm +mp-1207672,TmNiAs,-6.0134027983,-1.0417059622,0.0,-0.0212168872,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Ni-Tm,12.0,ABC_hP12_194_f_f_ab:As-Ni-Tm +mp-1195749,Tm5Zr3(Ni4As3)4,-6.2706920525,-0.8147507540000001,0.0,-0.0396723511,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Tm-Zr,36.0,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Tm-Zr +mp-568266,Tm2NiAs2,-6.02467422,-1.2146653527,0.009945889,0.009945889,GGA,P6_3mc,A2BC2_hP10_186_ab_a_2b:As-Ni-Tm,10.0,A2BC2_hP10_186_ab_a_2b:As-Ni-Tm +mp-11581,Tm2NiAs2,-6.026515315,-1.2165064477,0.008104794,0.008104794,GGA,P6_3/mmc,A2BC2_hP10_194_ac_b_f:As-Ni-Tm,10.0,"Invalid WP multiplicities - A2BC2_hP10_194_2ac_b_f:As-Ni-Tm, expected Tm2NiAs3 to be Tm2NiAs2" +mp-1104519,Tm(Ni2As)2,-5.8976882414,-0.6241712481,0.0,-0.0407824053,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Tm,14.0,A2B4C_tP14_136_f_i_a:As-Ni-Tm +mp-574651,CsSmMnSe3,-5.7769611,-1.5663380613,0.0,-0.054819577,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Sm,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cs-Mn-Se-Sm, expected CsSmMnSe5 to be CsSmMnSe3" +mp-1213650,CsErMnSe3,-5.7492931892,-1.5638147046,0.0,-0.0466582269,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cs-Er-Mn-Se,12.0,ABCD3_oC24_63_c_a_c_cf:Cs-Er-Mn-Se +mp-1113481,Cs2InCuBr6,-3.274735985,-1.4787494726,0.0120488025,0.0120488025,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-In,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-In +mp-16965,LaTm(Ge2Ir)2,-6.5247320763,-0.8271292877,0.0,-0.0134777341,GGA,Immm,A4B2CD_oI32_71_efm_m_i_e:Ge-Ir-La-Tm,16.0,"Invalid WP multiplicities - A4B2CD_oI32_71_2e2fm_m_i_e:Ge-Ir-La-Tm, expected LaTm(Ge3Ir)2 to be LaTm(Ge2Ir)2" +mp-1200060,Tm3Ge13Ir4,-5.942391828,-0.4983615728,0.0108488817,0.0108488817,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Tm,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Ir-Tm +mp-1102700,TmGeIr,-6.9347149692,-0.9556158164,0.0,-0.0632941547,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Tm +mp-1198165,Tm5(Ge5Ir2)2,-6.2262639203,-0.7545169525000001,0.0,-0.0397254297,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Tm,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Ir-Tm +mp-1189923,Tm4Ge6Ir7,-7.2198915212,-0.8957416339000001,0.0,-0.1327600113,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Tm,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Tm +mp-1208494,TbMn6(Sn2Ge)2,-6.7551452031,-0.225083589,0.0,-0.0084800263,GGA,P6/mmm,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Tb,13.0,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Tb +mp-20780,Tb(MnSn)6,-6.5754885554,-0.1398047875,0.0019389924,0.0019389924,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Mn-Sn-Tb,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_2cde_a:Mn-Sn-Tb, expected Tb(Mn3Sn4)2 to be Tb(MnSn)6" +mp-1113220,Cs2AlAuCl6,-3.732903816,-1.7427555626,0.1660479347,0.1660479347,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-Cs +mp-1114060,Rb2InGaCl6,-3.646939756,-1.7637329702,0.0551482418,0.0551482418,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-In-Rb +mp-571379,InGa2Cl7,-3.6947917545,-1.520028515,0.0,-0.0376504971,GGA,Pna2_1,A7B2C_oP40_33_7a_2a_a:Cl-Ga-In,40.0,"Invalid WP multiplicities - A7B2C_oP40_33_24a_7a_a:Cl-Ga-In, expected InGa7Cl24 to be InGa2Cl7" +mp-12855,Cu2HgGeSe4,-3.8675346925,-0.4789387587,0.0,-0.0076856325,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Hg-Se,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Hg-Se +mp-3167,Hg2GeSe4,-3.2489634329,-0.5041013621,0.0,-0.003396482,GGA,I-4,AB2C4_tI14_82_a_bc_g:Ge-Hg-Se,7.0,AB2C4_tI14_82_a_bc_g:Ge-Hg-Se +mp-1217876,Tb20In40Rh19,-4.9355199152,-0.5978424376,0.0,-0.0002789694,GGA,P-4m2,A40B19C20_tP79_115_2h2i2j2kl_abcjkl_2gjkl:In-Rh-Tb,79.0,"Invalid WP multiplicities - A40B19C20_tP79_115_2h2i4j2kl_abc2jkl_2g2jkl:In-Rh-Tb, expected Tb24In48Rh23 to be Tb20In40Rh19" +mp-20875,TbInRh,-5.6647645167,-0.7479786167,0.0,-0.0628385292,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Rh-Tb,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:In-Rh-Tb, expected Tb3In3Rh5 to be TbInRh" +mp-22816,TbGeRh,-6.5120389975,-0.9714717225,0.0,-0.0650362854,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Rh-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Rh-Tb +mp-864876,TbInRh2,-6.2634153900000005,-0.7347489975,0.0,-0.07447243,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Tb,4.0,AB2C_cF16_225_a_c_b:In-Rh-Tb +mp-569996,Tb2InGe2,-4.970996738,-0.71770241,0.0,-0.001743297,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Tb,10.0,A2BC2_tP10_127_g_a_h:Ge-In-Tb +mp-582119,Tb4InRh,-5.3166935488,-0.5411175488000001,0.0,-0.0413783511,GGA,F-43m,ABC4_cF96_216_e_e_efg:In-Rh-Tb,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e3f3g:In-Rh-Tb, expected Tb13InRh to be Tb4InRh" +mp-1195768,Tb3Ge13Rh4,-5.7196409885,-0.5466563937,0.015914464,0.015914464,GGA,Pm-3n,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Tb,40.0,A13B4C3_cP40_223_ak_e_c:Ge-Rh-Tb +mp-1197617,Tb5(Ge5Rh2)2,-6.0138651503,-0.8107419645,0.0,-0.0247397167,GGA,P4/mbm,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Tb,38.0,A10B4C5_tP38_127_gij_i_a2h:Ge-Rh-Tb +mp-1211078,TbGe3Rh5,-6.8433142389,-0.6960932372,0.0,-0.0351982329,GGA,P6_3/m,A3B5C_hP108_176_6h_10h_2h:Ge-Rh-Tb,108.0,A3B5C_hP108_176_6h_10h_2h:Ge-Rh-Tb +mp-1105260,Tb4InGe4Rh,-5.562902296,-0.848345554,0.0,-0.0208467548,GGA,C2/m,A4BCD4_mC40_12_4i_ac_i_4i:Ge-In-Rh-Tb,20.0,A4BCD4_mC40_12_4i_ad_i_4i:Ge-In-Rh-Tb +mp-20635,TbIn5Rh,-4.0919518543,-0.4123671943,0.0,-0.0232606705,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Rh-Tb,7.0,A5BC_tP7_123_ci_b_a:In-Rh-Tb +mp-1204441,Tb11(In3Ge2)2,-4.7528027438,-0.6585055581,0.0,-0.0382510301,GGA,I4/mmm,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Tb,42.0,A4B6C11_tI84_139_dei_hm_eh2n:Ge-In-Tb +mp-2881,Tb(GeRh)2,-6.610905146,-0.889097636,0.0,-0.0881629275,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Rh-Tb,5.0,A2B2C_tI10_139_e_d_a:Ge-Rh-Tb +mp-1208569,Tb3(GeRh)2,-6.329929545,-0.9188195807,0.0,-0.0058709901,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Tb,28.0,A2B2C3_oP28_57_cd_e_de:Ge-Rh-Tb +mp-1188286,Tb2Ge5Rh3,-6.239627293,-0.7919477845,0.0,-0.0165725414,GGA,C2/c,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Tb,20.0,A5B3C2_mC40_15_3ef_ef_f:Ge-Rh-Tb +mp-677241,LuCuSe2,-5.32143795,-1.4184429137,0.0148528391,0.0148528391,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Lu-Se,4.0,ABC2_hP4_156_a_b_ac:Cu-Lu-Se +mp-1203743,CsLu7Se11,-5.84259289,-2.1059043497,0.0,-0.0467912937,GGA,Cmce,AB7C11_oC152_64_f_cdf2g_e2f4g:Cs-Lu-Se,76.0,AB7C11_oC152_64_f_cdf2g_e2f4g:Cs-Lu-Se +mp-581696,CsLu2Cu3Se5,-4.9108670045,-1.3004596581,0.0,-0.0021785449,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Lu-Se,22.0,"Invalid WP multiplicities - AB3C2D5_oC44_63_c_2c2f_f_2c4f:Cs-Cu-Lu-Se, expected CsLu2(Cu3Se5)2 to be CsLu2Cu3Se5" +mp-1225840,CuAgSe,-3.6795288517,-0.203637468,0.0500758793,0.0500758793,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ag-Cu-Se,6.0,ABC_tP6_129_c_a_c:Ag-Cu-Se +mp-1213114,CuAgGeSe3,-4.121229215,-0.4474750548,0.0073301504,0.0073301504,GGA,Cc,ABCD3_mC24_9_a_a_a_3a:Ag-Cu-Ge-Se,12.0,ABCD3_mC24_9_a_a_a_3a:Ag-Cu-Ge-Se +mp-1179174,SrAlCu3Se4,-4.3509214122,-0.8268841673,0.1602067868,0.1602067868,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Al-Cu-Se-Sr,9.0,AB3C4D_cP9_215_b_c_e_a:Al-Cu-Se-Sr +mp-8422,Sr(AlSe2)2,-4.845786955,-1.536602523,0.0,-0.0775609757,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Al-Se-Sr,14.0,"Invalid WP multiplicities - A2B4C_oC28_66_l_2kl_a:Al-Se-Sr, expected Sr(AlSe3)2 to be Sr(AlSe2)2" +mp-1208226,Th2Al4Si2Au3,-5.2636215445,-0.6743213736,0.0,-0.0510652652,GGA,Cmmm,A4B3C2D2_oC22_65_gh_ah_h_g:Al-Au-Si-Th,11.0,A4B3C2D2_oC22_65_gh_ah_h_g:Al-Au-Si-Th +mp-1078533,Th(AlAu)2,-4.999777142,-0.70922236,0.0,-0.1626463567,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Th,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Th +mp-16250,Th(SiAu)2,-5.486597116,-0.524145454,0.0,-0.0121340262,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Au-Si-Th +mp-1208229,Th2Al8Si2Au5,-4.8004921224,-0.5644704047,0.0211688476,0.0211688476,GGA,Cmmm,A8B5C2D2_oC34_65_2g2h_agh_g_h:Al-Au-Si-Th,17.0,A8B5C2D2_oC34_65_2g2h_agh_g_h:Al-Au-Si-Th +mp-9164,ThSiAu,-6.14687591,-0.7758564833,0.0,-0.0336596689,GGA,P-6m2,ABC_hP3_187_a_c_f:Au-Si-Th,3.0,ABC_hP3_187_a_c_f:Au-Si-Th +mp-1217309,Th2Si3Au,-6.4832811150000005,-0.7536890167,0.0,-0.0794553467,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Au-Si-Th,,AB3C2_oI12_44_a_a2b_ab:Au-Si-Th +mp-1210417,Na3Eu2(SiSe3)2,-5.6398261608,-1.3084658218,0.1230320533,0.1230320533,GGA,C2/m,A2B3C6D2_mC26_12_h_ag_ij_i:Eu-Na-Se-Si,13.0,A2B3C6D2_mC26_12_h_ag_ij_i:Eu-Na-Se-Si +mp-1220994,NaEuSe2,-6.2589641,-1.6161265878000002,0.05387379,0.05387379,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Eu-Na-Se,4.0,ABC2_tP4_123_a_d_bc:Eu-Na-Se +mp-1221181,Na4Eu(SiSe3)2,-4.9390073869,-1.2949144716,0.0,-0.0327425391,GGA,C2,AB4C6D2_mC26_5_a_a3b_3c_c:Eu-Na-Se-Si,13.0,"Invalid WP multiplicities - AB4C6D2_mC26_5_a_a3b_4c_c:Eu-Na-Se-Si, expected Na4Eu(SiSe4)2 to be Na4Eu(SiSe3)2" +mp-1025495,NdSi2Rh,-6.6746036037,-0.9288307631,0.0107152978,0.0107152978,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Nd-Rh-Si,8.0,ABC2_oC16_63_c_c_2c:Nd-Rh-Si +mp-3651,Nd(SiRh)2,-7.129224588,-1.0597447415,0.0,-0.0578138654,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Rh-Si +mp-1220305,Nd2Si4Ru3Rh,-7.562895821,-0.9203875735,0.0,-0.0089829207,GGA,P-4m2,A2BC3D4_tP10_115_g_a_bcd_2g:Nd-Rh-Ru-Si,10.0,"Invalid WP multiplicities - A2BC3D4_tP10_115_g_a_bcd_4g:Nd-Rh-Ru-Si, expected Nd2Si8Ru3Rh to be Nd2Si4Ru3Rh" +mp-1070321,NdSi3Rh,-6.479948006,-0.7982661275,0.0,-0.0463123697,GGA,I4mm,ABC3_tI10_107_a_a_ab:Nd-Rh-Si,5.0,ABC3_tI10_107_a_a_ab:Nd-Rh-Si +mp-1103026,NdSi2Rh3,-7.32880527,-1.0435207529,0.0,-0.1202094942,GGA,Imma,AB3C2_oI24_74_e_ag_i:Nd-Rh-Si,12.0,AB3C2_oI24_74_e_ag_i:Nd-Rh-Si +mp-29742,NdSi2Rh3,-7.2936815483,-1.0083970312,0.0351237217,-0.0850857725,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Nd-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:Nd-Rh-Si +mp-1209907,Nd2Si5Rh3,-6.8368104805000005,-0.961229618,0.0,-0.0322241835,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Nd-Rh-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Nd-Rh-Si +mp-5082,Nd2Si3Rh,-6.4328329367,-0.9034067992,0.0,-0.0419390017,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Nd-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Nd-Rh-Si +mp-864665,Nd2Si3Rh,-6.4315757458,-0.9021496083,0.0012571908,-0.0406818108,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Nd-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Nd-Rh-Si +mp-1220300,Nd2Si4RuRh3,-7.277181845,-1.0166925315,0.0,-0.0034001793,GGA,P-4m2,A2B3CD4_tP10_115_g_abc_d_2g:Nd-Rh-Ru-Si,10.0,"Invalid WP multiplicities - A2B3CD4_tP10_115_g_abc_d_4g:Nd-Rh-Ru-Si, expected Nd2Si8RuRh3 to be Nd2Si4RuRh3" +mp-1206597,CeAlSi,-5.596964905,-0.5623039,0.0,-0.0245827667,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ce-Si,6.0,ABC_tI12_109_a_a_a:Al-Ce-Si +mp-29113,Ce3(Al2Si3)2,-5.4251542285,-0.3995020004,0.0236791835,0.0236791835,GGA,P-3m1,A4B3C6_hP13_164_2d_ac_3d:Al-Ce-Si,13.0,"Invalid WP multiplicities - A4B3C6_hP13_164_2d_ac_4d:Al-Ce-Si, expected Ce3(AlSi2)4 to be Ce3(Al2Si3)2" +mp-1078224,CeAl4Si2Rh,-5.5082769687,-0.6169849181,0.0,-0.0475814899,GGA,P4/mmm,A4BCD2_tP8_123_i_a_b_h:Al-Ce-Rh-Si,8.0,A4BCD2_tP8_123_i_a_b_h:Al-Ce-Rh-Si +mp-1207106,Ce(AlSi)2,-5.19109797,-0.336122595,0.030634431,0.030634431,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ce-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Ce-Si +mp-3344,CeAlRh,-6.5292254108000005,-0.8482344592000001,0.0,-0.0947702575,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Al-Ce-Rh,24.0,ABC_oP24_62_2c_2c_2c:Al-Ce-Rh +mp-1213916,Ce2(Al3Rh)3,-5.6241192546,-0.7905989411000001,0.0,-0.0853814312,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Ce-Rh,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Ce-Rh +mp-9400,CeAlSi2,-5.5790102375,-0.4466849763,0.0117613062,0.0117613062,GGA,P-3m1,ABC2_hP8_164_d_c_2d:Al-Ce-Si,8.0,ABC2_hP8_164_d_c_2d:Al-Ce-Si +mp-1214381,BaPrCuTe3,-4.8302866692,-1.4587858283,0.0,-0.0147147217,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Pr-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Pr-Te +mp-1113839,Na2LiDyCl6,-4.272768186,-2.2475701606,0.1189802765,0.1189802765,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Li-Na +mp-28068,LiDy2Cl5,-4.6977988819,-2.152151401,0.1905744342,0.1905744342,GGA,C2/c,A5B2C_mC32_15_e2f_f_c:Cl-Dy-Li,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_e3f_f_a:Cl-Dy-Li, expected LiDy2Cl7 to be LiDy2Cl5" +mp-1104011,CsGdCdTe3,-5.5338864867,-1.313164478,0.0,-0.0608614987,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Gd-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Gd-Te +mp-1111511,Na2CuAuCl6,-3.308021155,-1.1970852333,0.1315279372,0.1315279372,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-Na +mp-1113205,Cs2TlCuCl6,-3.509136093,-1.5747486409,0.0112597857,0.0112597857,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tl +mp-1113536,Cs2TlAuCl6,-3.349055545,-1.4972005599,0.0511276775,0.0511276775,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Tl +mp-1112119,Cs2RbScBr6,-4.001884691,-2.1596869008,0.021821824,0.021821824,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Sc +mp-1111776,CsRb2ScBr6,-3.938441488,-2.0877305278,0.0814763655,0.0814763655,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Sc +mp-1110687,Rb2PrCuCl6,-4.302009351,-2.108769298,0.0735827565,0.0735827565,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Pr-Rb +mp-1113655,Rb2DyAuCl6,-4.133400333,-2.0401046385,0.112682099,0.112682099,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Dy-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Dy-Rb +mp-9274,Rb3Sb2Au3,-3.0896539462,-0.4619976091,0.0,-0.0824306059,GGA,R-3m,A3B3C2_hR24_166_d_ac_c:Au-Rb-Sb,8.0,A3B3C2_hR24_166_d_ac_c:Au-Rb-Sb +mp-1111715,Rb2SbAuCl6,-3.546315958,-1.5007988235,0.072393967,0.072393967,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Sb +mp-667286,Re6Te7Se8,-6.5798832244,-0.6447595966,0.0,-0.0685350211,GGA,Pbca,A6B8C7_oP84_61_3c_4c_a3c:Re-Se-Te,84.0,"Invalid WP multiplicities - A6B8C7_oP84_61_17c_27c_3a17c:Re-Se-Te, expected Re34Te37Se54 to be Re6Te7Se8" +mp-580748,Re3Se4Cl,-7.4446277938,-0.798907278,0.0,-0.0505479669,GGA,P-1,AB3C4_aP16_2_i_3i_4i:Cl-Re-Se,16.0,"Invalid WP multiplicities - AB3C4_aP16_2_i_5i_5i:Cl-Re-Se, expected Re5Se5Cl to be Re3Se4Cl" +mp-680308,Re(Se2Cl3)2,-4.1296822511,-0.718828337,0.0990469677,0.0990469677,GGA,Pccn,A6BC4_oP44_56_3e_a_2e:Cl-Re-Se,44.0,"Invalid WP multiplicities - A6BC4_oP44_56_21e_a_11e:Cl-Re-Se, expected Re(Se11Cl21)2 to be Re(Se2Cl3)2" +mp-866695,ReTeSeCl4,-4.7994136775000005,-1.0168577924,0.0,-0.0119701327,GGA,I-4,A4BCD_tI56_82_4g_g_g_g:Cl-Re-Se-Te,28.0,A4BCD_tI56_82_4g_g_g_g:Cl-Re-Se-Te +mp-29499,Re3Te8Cl3,-5.5272174786,-0.668243287,0.0,-0.025000539,GGA,P2_12_12,A3B3C8_oP56_18_3c_3c_8c:Cl-Re-Te,56.0,A3B3C8_oP56_18_3c_3c_8c:Cl-Re-Te +mp-679999,Re3(SeCl)7,-5.309256526,-0.9125083779,0.0,-0.1166303846,GGA,Pbcm,A7B3C7_oP68_57_3d2e_de_3d2e:Cl-Re-Se,68.0,"Invalid WP multiplicities - A7B3C7_oP68_57_10d14e_3d4e_12d10e:Cl-Re-Se, expected Re11(Se16Cl19)2 to be Re3(SeCl)7" +mp-29114,Re3Te4Cl5,-5.7830187586,-0.853894723,0.0,-0.013588519,GGA,Pna2_1,A5B3C4_oP96_33_10a_6a_8a:Cl-Re-Te,96.0,A5B3C4_oP96_33_10a_6a_8a:Cl-Re-Te +mp-676712,ReSeCl,-6.8539857544,-0.9243273136,0.0,-0.0133562386,GGA,C222_1,ABC_oC72_20_2a2c_2a2c_3c:Cl-Re-Se,36.0,"Invalid WP multiplicities - ABC_oC72_20_4a7c_4a7c_7c:Cl-Re-Se, expected Re9Se7Cl9 to be ReSeCl" +mp-624000,Re(Te4Cl3)2,-3.7782875118,-0.5328078924,0.1334189992,0.1334189992,GGA,C2/c,A6BC8_mC120_15_6f_ae_8f:Cl-Re-Te,60.0,"Invalid WP multiplicities - A6BC8_mC120_15_16f_c2e_31f:Cl-Re-Te, expected Re3(Te31Cl16)2 to be Re(Te4Cl3)2" +mp-1173448,Re3Se2Cl5,-6.3574308935,-1.0006221125,0.0073444958,0.0073444958,GGA,P1,A5B3C2_aP40_1_20a_12a_8a:Cl-Re-Se,40.0,A5B3C2_aP40_1_20a_12a_8a:Cl-Re-Se +mp-671888,Re(SeCl6)2,-3.6839794537,-0.9093934496,0.0193210722,0.0193210722,GGA,P1,A12BC2_aP30_1_24a_2a_4a:Cl-Re-Se,30.0,"Invalid WP multiplicities - A12BC2_mC60_9_24a_a_3a:Cl-Re-Se, expected Re(SeCl8)3 to be Re(SeCl6)2" +mp-652695,Re(SeCl6)2,-3.693369843,-0.918783839,0.0099306829,0.0099306829,GGA,Fdd2,A12BC2_oF120_43_6b_a_b:Cl-Re-Se,30.0,"Invalid WP multiplicities - A12BC2_oF120_43_22b_a_b:Cl-Re-Se, expected Re(SeCl22)2 to be Re(SeCl6)2" +mp-1193652,Re(TeCl2)2,-4.7280362118,-0.995852553,0.0,-0.0446666857,GGA,I-4,A4BC2_tI56_82_4g_g_2g:Cl-Re-Te,28.0,A4BC2_tI56_82_4g_g_2g:Cl-Re-Te +mp-665901,Re(TeCl6)2,-3.0074188167,-0.2798468906,0.8200722844,0.8200722844,GGA,P-1,A12BC2_aP15_2_6i_a_i:Cl-Re-Te,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:Cl-Re-Te, expected Re(TeCl7)2 to be Re(TeCl6)2" +mp-28633,Re(TeCl6)2,-3.813050154,-1.0854782279,0.014440947,0.014440947,GGA,P-1,A12BC2_aP15_2_6i_a_i:Cl-Re-Te,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:Cl-Re-Te, expected Re(TeCl7)2 to be Re(TeCl6)2" +mp-581449,Re(TeCl6)2,-3.824935478,-1.0973635519,0.002555623,0.002555623,GGA,R-3,A12BC2_hR135_148_6f_ac_f:Cl-Re-Te,45.0,"Invalid WP multiplicities - A12BC2_hR135_148_32f_ac_f:Cl-Re-Te, expected Re(TeCl32)2 to be Re(TeCl6)2" +mp-1114009,Rb2TlAsCl6,-3.63229545,-1.6248904843,0.0090290673,0.0090290673,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Rb-Tl +mp-1218126,Ta2Ga(ReSe4)2,-6.8113486738,-0.6882719451,0.2092287778,0.2092287778,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:Ga-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:Ga-Re-Se-Ta +mp-675430,Sm4Ag2Se7,-5.4161881435,-1.6461237673,0.0832901055,0.0832901055,GGA,Pc,A2B7C4_mP26_7_2a_7a_4a:Ag-Se-Sm,26.0,"Invalid WP multiplicities - A2B7C4_mP26_7_3a_11a_5a:Ag-Se-Sm, expected Sm5Ag3Se11 to be Sm4Ag2Se7" +mp-38805,Sm5AgSe8,-5.8243933907,-1.9391949265,0.0271546199,0.0271546199,GGA,I-4,AB8C5_tI28_82_a_2g_cg:Ag-Se-Sm,14.0,"Invalid WP multiplicities - AB8C5_tI28_82_a_5g_c2g:Ag-Se-Sm, expected Sm9AgSe20 to be Sm5AgSe8" +mp-18710,RbSm2Ag3Se5,-4.6472252436,-1.3385950854,0.0,-0.0317029798,GGA,Cmcm,A3BC5D2_oC44_63_cf_c_c2f_f:Ag-Rb-Se-Sm,22.0,"Invalid WP multiplicities - A3BC5D2_oC44_63_c2f_c_c4f_f:Ag-Rb-Se-Sm, expected RbSm2Ag5Se9 to be RbSm2Ag3Se5" +mp-1113550,Rb2InHgBr6,-2.898073246,-1.4646130240000002,0.062181113,0.062181113,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-Rb +mp-1210225,Na5AgGe2Se7,-3.8360165183,-0.9585086167,0.0,-0.0030072051,GGA,C2/c,AB2C5D7_mC60_15_e_f_a2f_e3f:Ag-Ge-Na-Se,30.0,AB2C5D7_mC60_15_e_f_c2f_e3f:Ag-Ge-Na-Se +mp-1207319,Tl(BiSe2)3,-2.711606693,0.7743512473,1.4234933945,1.4234933945,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Bi-Se-Tl,10.0,A3B6C_oC20_65_de_kp_a:Bi-Se-Tl +mp-1227356,Bi2TeSe2,-4.197213326,-0.6339919043000001,0.003196364,0.003196364,GGA,R3m,A2B2C_hR15_160_2a_2a_a:Bi-Se-Te,5.0,A2B2C_hR15_160_2a_2a_a:Bi-Se-Te +mp-31406,Bi2TeSe2,-4.162446764,-0.5992253423,0.037962926,0.037962926,GGA,R-3m,A2B2C_hR15_166_c_c_a:Bi-Se-Te,5.0,A2B2C_hR15_166_c_c_a:Bi-Se-Te +mp-1101039,TlBiSe2,-3.7978047779,-0.4990659699,0.1994103446,0.1313408983,GGA,P4/mmm,AB2C_tP28_123_ag2h_bc3g3h_d2gh:Bi-Se-Tl,28.0,AB2C_tP28_123_a2g4h_bc6g6h_d4g2h:Bi-Se-Tl +mp-1216544,TlBiSe2,-3.829371605,-0.530632797,0.1678435175,0.0997740711,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Bi-Se-Tl,4.0,AB2C_tP4_123_a_bc_d:Bi-Se-Tl +mp-29662,TlBiSe2,-3.9972151225,-0.6984763145,0.0,-0.0680694464,GGA,R-3m,AB2C_hR12_166_a_c_b:Bi-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Bi-Se-Tl +mp-34361,Tl9BiTe6,-3.2175881137,-0.4698310631,0.0,-0.0053015572,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Bi-Te-Tl,16.0,"Invalid WP multiplicities - AB6C9_tI32_87_a_2e2h_b2i:Bi-Te-Tl, expected Tl17BiTe12 to be Tl9BiTe6" +mp-29666,Bi2Te2Se,-4.07783705,-0.5851367451,0.0,-0.01086508,GGA,R-3m,A2BC2_hR15_166_c_a_c:Bi-Se-Te,5.0,A2BC2_hR15_166_c_a_c:Bi-Se-Te +mp-1227439,Bi4(TeSe)3,-4.131544147,-0.6035832837,0.007579223,0.007579223,GGA,Cm,A4B3C3_mC20_8_4a_3a_3a:Bi-Se-Te,10.0,A4B3C3_mC20_8_4a_3a_3a:Bi-Se-Te +mp-1227438,Bi4(TeSe)3,-4.134821852,-0.6068609887,0.004301518,0.004301518,GGA,R3m,A4B3C3_hR30_160_4a_3a_3a:Bi-Se-Te,10.0,A4B3C3_hR30_160_4a_3a_3a:Bi-Se-Te +mp-1216542,TlBiTeSe,-3.67247595,-0.4618885381,0.1550898875,0.1550898875,GGA,P4/mmm,ABCD_tP4_123_a_b_c_d:Bi-Se-Te-Tl,4.0,ABCD_tP4_123_a_b_c_d:Bi-Se-Te-Tl +mp-675989,Tl9BiSe6,-3.4368498588,-0.5568657140000001,0.0,-0.039314755,GGA,I4/m,AB6C9_tI32_87_a_eh_bi:Bi-Se-Tl,16.0,"Invalid WP multiplicities - AB6C9_tI32_87_a_2e2h_b2i:Bi-Se-Tl, expected Tl17BiSe12 to be Tl9BiSe6" +mp-1216760,Tl2Bi2Te3Se,-3.6582341863,-0.4917224724,0.0845070087,0.0845070087,GGA,Imm2,A2BC3D2_oI16_44_ab_a_a2b_ab:Bi-Se-Te-Tl,8.0,A2BC3D2_oI16_44_ab_a_a2b_ab:Bi-Se-Te-Tl +mp-1216532,TlBiTe2,-3.5377573025,-0.4153212867,0.12015925,0.0763219736,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Bi-Te-Tl,4.0,AB2C_tP4_123_a_bc_d:Bi-Te-Tl +mp-27438,TlBiTe2,-3.6579165525,-0.5354805367000001,0.0,-0.0438372764,GGA,R-3m,AB2C_hR12_166_a_c_b:Bi-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Bi-Te-Tl +mp-1210155,NaAlBr4,-3.6134122279,-1.7333764873000002,0.0,-0.0505075675,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Br-Na,24.0,AB4C_oP24_62_c_2cd_c:Al-Br-Na +mp-1111743,Na2AlHgBr6,-2.906807294,-1.3055596178,0.2586023733,0.2586023733,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-Na +mp-1014873,NaLi2As,-2.5931794375,-0.1433070796,0.4693131439,0.4693131439,GGA,Immm,AB2C_oI8_71_a_e_b:As-Li-Na,4.0,AB2C_oI8_71_a_e_b:As-Li-Na +mp-9722,Na2LiGaAs2,-3.3752254671,-0.5585077527,0.0,-0.0858347436,GGA,Cmce,A2BCD2_oC48_64_ef_d_d_ef:As-Ga-Li-Na,24.0,"Invalid WP multiplicities - A2BCD2_oC48_64_ef_d_d_2ef:As-Ga-Li-Na, expected Na3LiGaAs2 to be Na2LiGaAs2" +mp-1025242,ScGa5Co,-4.5306460771,-0.4476079325,0.0,-0.0229913336,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Sc,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Sc +mp-1206867,Sc2Ga8Co,-4.46580701,-0.4659866295,0.0009174473,0.0009174473,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Sc,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Sc +mp-1219518,Sc(GaCo)6,-5.28628912,-0.1208312731,0.2188627129,0.2188627129,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Co-Ga-Sc,13.0,A6B6C_oF52_69_dm_em_a:Co-Ga-Sc +mp-30701,Sc3(Ga3Fe)2,-5.3964093989,-0.4776797743,0.0157264327,0.0157264327,GGA,Pnma,A2B6C3_oP44_62_2c_2c2d_cd:Fe-Ga-Sc,44.0,"Invalid WP multiplicities - A2B6C3_oP44_62_2c_2c4d_c2d:Fe-Ga-Sc, expected Sc5(Ga5Fe)2 to be Sc3(Ga3Fe)2" +mp-11438,Sc(GaFe)6,-6.1139568723,-0.3200205262,0.0,-0.0405644649,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Sc,13.0,"Invalid WP multiplicities - A6B6C_oI26_71_2fk_2egh_a:Fe-Ga-Sc, expected Sc(GaFe)8 to be Sc(GaFe)6" +mp-1219338,ScGa4Fe3Co8,-6.5690443794,-0.2739531803,0.0178196838,0.0178196838,GGA,R-3m,A8B3C4D_hR48_166_4c_ac_2c_b:Co-Fe-Ga-Sc,16.0,"Invalid WP multiplicities - A8B3C4D_hR48_166_7c_a2c_3c_b:Co-Fe-Ga-Sc, expected ScGa6Fe5Co14 to be ScGa4Fe3Co8" +mp-1219537,Sc3(Ga4Fe5)4,-6.3454366418,-0.2724272091,0.0190596582,0.0190596582,GGA,Cm,A20B16C3_mC78_8_8a6b_16a_3a:Fe-Ga-Sc,39.0,"Invalid WP multiplicities - A20B16C3_mC78_8_8a12b_16a_3a:Fe-Ga-Sc, expected Sc3(GaFe2)16 to be Sc3(Ga4Fe5)4" +mp-1025241,ScGa5Fe,-4.66062677,-0.3830595661,0.0052720002,0.0052720002,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Fe-Ga-Sc,7.0,AB5C_tP7_123_b_ci_a:Fe-Ga-Sc +mp-1219418,Sc3Ga5Co,-5.1586752661,-0.5757635747000001,0.0,-0.0173135617,GGA,Amm2,AB5C3_oC18_38_b_a2e_ad:Co-Ga-Sc,18.0,"Invalid WP multiplicities - AB5C3_oC18_38_b_a2e_a2d:Co-Ga-Sc, expected Sc5Ga5Co to be Sc3Ga5Co" +mp-1093923,Sc2GaCo,-3.54907291,2.1512650969,2.6420313409,2.6420313409,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ga-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Ga-Sc +mp-867915,ScGaCo2,-6.338221305,-0.4439211256,0.0,-0.0583439517,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Sc,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Sc +mp-1190671,CsYb2Cu3Se5,-4.2207673691,-1.1524222481,0.0699745377,0.0699745377,GGA,Cmcm,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Yb,,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Yb +mp-1203387,Ba2GaSbSe5,-4.6409314767000005,-1.4770865288,0.0,-0.0250477858,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Ga-Sb-Se,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Ga-Sb-Se +mp-1087540,CdCu2SiTe4,-3.7763969637,-0.3864163758,0.0,-0.0056741438,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Si-Te,8.0,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Si-Te +mp-672170,Rb2NbCuSe4,-4.9530040094,-1.1848507887,0.0077161956,-0.1496270511,GGA,P1,ABC2D4_aP16_1_2a_2a_4a_8a:Cu-Nb-Rb-Se,16.0,ABC2D4_aP16_1_2a_2a_4a_8a:Cu-Nb-Rb-Se +mp-15222,Rb2NbCuSe4,-4.960720205,-1.1925669843,0.0,-0.1573432467,GGA,Fddd,ABC2D4_oF64_70_a_b_e_h:Cu-Nb-Rb-Se,16.0,ABC2D4_oF64_70_a_b_e_h:Cu-Nb-Rb-Se +mp-30593,ZnCu2Ni,-3.931998735,-0.1224253275,0.00505994,0.00505994,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Cu-Ni-Zn,4.0,A2BC_tP4_123_e_a_c:Cu-Ni-Zn +mp-1215413,ZnCu2Ni,-3.8493092675,-0.03973586,0.0877494075,0.0877494075,GGA,R3m,A2BC_hR12_160_2a_a_a:Cu-Ni-Zn,4.0,A2BC_hR12_160_2a_a_a:Cu-Ni-Zn +mp-971738,ZnCuNi2,-4.3500329475,-0.1202270375,0.00725823,0.00725823,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Ni-Zn +mp-1215438,Zn2CuNi,-3.2634919175,-0.163784275,0.0090785075,0.0090785075,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Cu-Ni-Zn,4.0,ABC2_tP4_123_a_b_h:Cu-Ni-Zn +mp-1178641,ZnCu3NiSe4,-4.1031094633,-0.4007598844,0.1093506553,0.1093506553,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Ni-Se-Zn,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Ni-Se-Zn +mp-1226892,Ce2(CoCu)5,-5.7419439775,-0.0832939246,0.0462578678,0.0462578678,GGA,Pmmm,A2B5C5_oP12_47_ad_fij_gx:Ce-Co-Cu,12.0,"Invalid WP multiplicities - A2B5C5_oP12_47_ad_f2ij_gx:Ce-Co-Cu, expected Ce2Co7Cu5 to be Ce2(CoCu)5" +mp-1226624,CeCoCuSi2,-6.188608664,-0.590358728,0.051653764,0.051653764,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Co-Cu-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Co-Cu-Si +mp-1226659,CeCo3Cu2,-5.9949568483,-0.085547535,0.0440898779,0.0440898779,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ce-Co-Cu,6.0,AB3C2_hP6_191_a_g_c:Ce-Co-Cu +mp-1227675,Ce2Co16Cu,-6.8920401184,-0.0658048711,0.0189832471,0.0189832471,GGA,P-3m1,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Cu,38.0,A2B16C_hP38_164_cd_def2ij_d:Ce-Co-Cu +mp-1226692,CeCo4Cu,-6.5049554333,-0.0940275992,0.0357810548,0.0357810548,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Ce-Co-Cu,6.0,AB4C_hP6_187_a_ck_e:Ce-Co-Cu +mp-1222964,LaCe(MnSi)4,-7.459341107,-0.5374981522,0.00050011,0.00050011,GGA,P4/mmm,ABC4D4_tP10_123_a_d_i_gh:Ce-La-Mn-Si,10.0,"Invalid WP multiplicities - ABC4D4_tP10_123_a_d_i_g2h:Ce-La-Mn-Si, expected LaCe(Mn2Si3)2 to be LaCe(MnSi)4" +mp-2965,Ce(MnSi)2,-7.578626278,-0.5570751182,0.0,-0.0624041287,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Mn-Si +mp-5901,CeMnSi2,-7.0748690925,-0.5884339657000001,0.0,-0.0110388756,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Mn-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Mn-Si +mp-505331,CeMnSi,-7.32530507,-0.4851642443,0.0,-0.0180819718,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Mn-Si,6.0,ABC_tP6_129_c_a_c:Ce-Mn-Si +mp-1097587,ZrNbRu2,-5.9012776525,3.398175035,3.8161184625,3.8161184625,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ru-Zr,4.0,AB2C_oI8_71_a_e_b:Nb-Ru-Zr +mp-1188541,NbSiRu,-8.9093738844,-0.6423653478,0.0,-0.1138430011,GGA,Ima2,ABC_oI36_46_3b_ac_bc:Nb-Ru-Si,18.0,ABC_oI36_46_3b_ac_bc:Nb-Ru-Si +mp-1215260,ZrNb(SiRu)2,-8.7767695294,-0.7686950611000001,0.0108836978,0.0108836978,GGA,Pm,AB2C2D_mP18_6_3a_6b_2a4b_3a:Nb-Ru-Si-Zr,18.0,AB2C2D_mP18_6_3a_6b_2a4b_3a:Nb-Ru-Si-Zr +mp-1215262,ZrNbSi,-8.397808925,-0.3730343583,0.295211893,0.295211893,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Nb-Si-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Nb-Si-Zr, expected Zr3(NbSi)2 to be ZrNbSi" +mp-1097126,NbSiRu2,-5.3201565425,3.198700495,3.6804745058,3.6804745058,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ru-Si,4.0,AB2C_oI8_71_a_e_b:Nb-Ru-Si +mp-1186228,NbSiRu2,-8.93630477,-0.4174477325,0.0643262783,0.0643262783,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Si +mp-1210618,Mn3SiNi,-7.9464885035,-0.2081883863,0.0842269068,0.0842269068,GGA,P2_13,A3BC_cP20_198_b_a_a:Mn-Ni-Si,20.0,A3BC_cP20_198_b_a_a:Mn-Ni-Si +mp-22290,Mn6Si7Ni16,-6.8107180976,-0.4165282754,0.0,-0.0199614341,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Mn-Ni-Si,29.0,A6B16C7_cF116_225_e_2f_ad:Mn-Ni-Si +mp-1221538,Mn2SiNi,-7.63503631,-0.2526649865,0.1120052492,0.1120052492,GGA,I-4m2,A2BC_tI8_119_ac_b_d:Mn-Ni-Si,4.0,A2BC_tI8_119_ac_b_d:Mn-Ni-Si +mp-999558,Mn2SiNi,-7.66542569,-0.2830543665,0.0816158692,0.0816158692,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Ni-Si,4.0,A2BC_cF16_216_ac_b_d:Mn-Ni-Si +mp-1221908,Mn3Cr3Si7Ni16,-6.8114871966,-0.3665009422,0.0410383777,0.0410383777,GGA,R3m,A3B3C16D7_hR87_160_b_b_4a4b_a2b:Cr-Mn-Ni-Si,29.0,A3B3C16D7_hR87_160_b_b_4a4b_a2b:Cr-Mn-Ni-Si +mp-541940,Cr6Si7Ni16,-6.8160405741000005,-0.3202578876,0.0782924768,0.0782924768,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Cr-Ni-Si,29.0,A6B16C7_cF116_225_e_2f_ad:Cr-Ni-Si +mp-1221554,MnSi2Ni,-6.8903330625,-0.4421360545,0.0071146025,0.0071146025,GGA,P2_1,ABC2_mP8_4_a_a_2a:Mn-Ni-Si,8.0,ABC2_mP8_4_a_a_2a:Mn-Ni-Si +mp-669554,Mn3SiNi2,-7.6081009946,-0.1961614502,0.0816806409,0.0816806409,GGA,Fd-3m,A3B2C_cF96_227_f_e_c:Mn-Ni-Si,24.0,A3B2C_cF96_227_f_e_c:Mn-Ni-Si +mp-1221824,Mn4Si3Ni5,-7.1383411092,-0.319616221,0.0786507745,0.0786507745,GGA,Amm2,A4B5C3_oC24_38_2c_ade_bc:Mn-Ni-Si,12.0,"Invalid WP multiplicities - A4B5C3_oC24_38_3c_ade_bc:Mn-Ni-Si, expected Mn6Si3Ni5 to be Mn4Si3Ni5" +mp-20949,MnSiNi,-7.2572741958,-0.4681175285,0.0,-0.0280788369,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Ni-Si,12.0,ABC_oP12_62_c_c_c:Mn-Ni-Si +mp-567353,MnSiNi,-7.023776595,-0.2346199276,0.2334976008,0.205418764,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Mn-Ni-Si,6.0,ABC_hP6_194_c_a_d:Mn-Ni-Si +mp-1062306,MnSiNi,-7.0160618433,-0.226905176,0.2412123525,0.2131335156,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Ni-Si,3.0,ABC_cF12_216_a_c_b:Mn-Ni-Si +mp-505629,Cr3SiNi2,-7.7105039667,-0.0530483333,0.2146511303,0.2146511303,GGA,Fd-3m,A3B2C_cF96_227_f_e_c:Cr-Ni-Si,24.0,A3B2C_cF96_227_f_e_c:Cr-Ni-Si +mp-1221579,MnSiNi2,-6.7924602575,-0.255558587,0.1595067885,0.1595067885,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Mn-Ni-Si,4.0,AB2C_tP4_123_a_h_b:Mn-Ni-Si +mp-999508,MnSiNi2,-6.8826012,-0.3456995295,0.069365846,0.069365846,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ni-Si,4.0,AB2C_cF16_225_a_c_b:Mn-Ni-Si +mp-1103085,CrSiNi,-7.2982664508,-0.3454323908,0.0791159686,0.0791159686,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Ni-Si,12.0,ABC_oP12_62_c_c_c:Cr-Ni-Si +mp-569202,Ca10Mg2Sb9,-3.8933035814,-1.0162764357,0.0,-0.0325006081,GGA,P4_2/mnm,A10B2C9_tP84_136_ef2k_2g_defi2j:Ca-Mg-Sb,84.0,"Invalid WP multiplicities - A10B2C9_tP84_136_4e4f22k_2g_4d3e4f5i13j:Ca-Mg-Sb, expected Ca96Mg2Sb47 to be Ca10Mg2Sb9" +mp-1023163,LiCaMg6,-1.682742455,0.0067829258,0.0747826471,0.0747826471,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Li-Mg, expected LiCaMg12 to be LiCaMg6" +mp-1023253,LiCaMg6,-1.6770465475,0.0124788333,0.0804785546,0.0804785546,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Li-Mg, expected LiCaMg12 to be LiCaMg6" +mp-1211639,LiCa11Sb9,-3.9986385054,-1.0876131384,0.0,-0.0493266155,GGA,P4_2/mnm,A11BC9_tP84_136_efg2k_f_degi2j:Ca-Li-Sb,84.0,A11BC9_tP84_136_efg2k_f_degi2j:Ca-Li-Sb +mp-1222660,Li2MgSb,-2.7557603925,-0.3689786367,0.208893178,0.208893178,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Sb,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Sb +mp-1021277,LiMg6Sb,-2.0779640462,-0.1230134954,0.1259657836,0.1259657836,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Sb, expected LiMg12Sb to be LiMg6Sb" +mp-1021272,LiMg6Sb,-2.0756605994,-0.1207100485,0.1282692305,0.1282692305,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Sb, expected LiMg12Sb to be LiMg6Sb" +mp-1096674,Li2CaMg,-0.6969347825000001,1.1589966333,1.203171146,1.203171146,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Li-Mg,4.0,AB2C_oI8_71_a_e_b:Ca-Li-Mg +mp-16264,LiCaSb,-3.6872205275,-1.0060458653,0.0,-0.1040122011,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Li-Sb,12.0,ABC_oP12_62_c_c_c:Ca-Li-Sb +mp-1100409,LiCaSb,-3.52410583,-0.8429311678,0.1631146975,0.0591024964,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Li-Sb,3.0,ABC_cF12_216_a_c_b:Ca-Li-Sb +mp-1028150,CaMg14Sb,-1.8530369275,-0.0693793138,0.0944919665,0.0944919665,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Sb, expected CaMg18Sb to be CaMg14Sb" +mp-1028128,CaMg14Sb,-1.8128279731,-0.0291703594,0.1347009209,0.1347009209,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Sb, expected CaMg26Sb to be CaMg14Sb" +mp-1026789,LiMg14Sb,-1.8401230119,-0.0625077115,0.0732829059,0.0732829059,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Sb, expected LiMg18Sb to be LiMg14Sb" +mp-1026784,LiMg14Sb,-1.8193509112,-0.0417356108,0.0940550065,0.0940550065,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Sb, expected LiMg26Sb to be LiMg14Sb" +mp-9565,Ca(MgSb)2,-3.480408428,-0.7875759360000001,0.0,-0.1146191736,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Mg-Sb,5.0,AB2C2_hP5_164_a_d_d:Ca-Mg-Sb +mp-1100424,LiMgSb,-2.9915293033,-0.4454612511,0.1808135667,0.1046202701,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Mg-Sb,3.0,ABC_cF12_216_a_c_b:Li-Mg-Sb +mp-1207082,LiMgSb,-3.17234287,-0.6262748178,0.0,-0.0761932965,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Mg-Sb,3.0,ABC_cF12_216_a_b_c:Li-Mg-Sb +mp-975368,LiCa2Mg,-1.914350635,-0.0342499658,0.0099245469,0.0099245469,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Li-Mg,4.0,A2BC_cF16_225_c_a_b:Ca-Li-Mg +mp-1028194,LiCaMg14,-1.6364300200000002,0.0084726954,0.0558479802,0.0558479802,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Li-Mg, expected LiCaMg18 to be LiCaMg14" +mp-1028177,LiCaMg14,-1.6396673069,0.0052354085,0.0526106933,0.0526106933,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Li-Mg, expected LiCaMg26 to be LiCaMg14" +mp-1023146,CaMg6Sb,-2.0993684675,-0.13233329,0.1739807805,0.1739807805,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Sb, expected CaMg12Sb to be CaMg6Sb" +mp-1023149,CaMg6Sb,-2.1090143731,-0.1419791956,0.1643348748,0.1643348748,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Sb, expected CaMg12Sb to be CaMg6Sb" +mp-569282,LiCa10MgSb9,-3.9420004881,-1.0502760654,0.0,-0.0104877321,GGA,P4_2/mnm,A10BCD9_tP84_136_ef2k_g_g_defi2j:Ca-Li-Mg-Sb,84.0,"Invalid WP multiplicities - A10BCD9_tP84_136_4e4f23k_g_g_3d4e4f6i14j:Ca-Li-Mg-Sb, expected LiCa100MgSb51 to be LiCa10MgSb9" +mp-17367,Mn2SiSe4,-6.0854354479,-0.6950076586,0.0,-0.0278519693,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mn-Se-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Mn-Se-Si +mp-1210606,Mn3(SiSe3)2,-6.0283060268,-0.6362923175,0.0493394645,0.0493394645,GGA,P-31c,A3B6C2_hP22_163_cf_i_e:Mn-Se-Si,22.0,A3B6C2_hP22_163_cf_i_e:Mn-Se-Si +mp-1210824,MnCu2SiSe4,-5.1643324912,-0.5681584197,0.0,-0.0198383839,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mn-Se-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mn-Se-Si +mp-571341,InHg6As4Cl7,-2.7490586344,-0.7407255144,0.0,-0.0315551346,GGA,Pa-3,A4B7C6D_cP72_205_2c_ad_d_b:As-Cl-Hg-In,72.0,"Invalid WP multiplicities - A4B7C6D_cP72_205_10c_3a4d_d_b:As-Cl-Hg-In, expected InHg6As20Cl27 to be InHg6As4Cl7" +mp-1112928,Cs2ErAuCl6,-4.151770716,-2.0794081646,0.0980006618,0.0980006618,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Er,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Er +mp-1113980,Rb2LiDyCl6,-4.42056537,-2.4637655888,0.0038135651,0.0038135651,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Li-Rb +mp-1214988,AgMo6Cl13,-5.8801199425,-1.2832482803,0.0,-7.0028e-05,GGA,P-1,AB13C6_aP40_2_i_13i_6i:Ag-Cl-Mo,40.0,AB13C6_aP40_2_i_13i_6i:Ag-Cl-Mo +mp-1110796,Rb2AgMoCl6,-4.2706112990000005,-1.5975618772,0.0221258373,0.0221258373,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Mo-Rb +mp-1110720,Rb2PrCuBr6,-3.868099031,-1.852163976,0.075662629,0.075662629,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Pr-Rb +mp-1112999,Cs2LiTlCl6,-3.542311039,-1.8269519673,0.017402616,0.017402616,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tl +mp-1110688,Rb2NdCuCl6,-4.30626686,-2.1143026392,0.0660240985,0.0660240985,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Nd-Rb +mp-1209524,Rb2NdCl5,-4.5499939394,-2.5535065797,0.0,-0.0570986481,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Nd-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Nd-Rb +mp-1110730,Rb3NdCl6,-4.302344906,-2.422247945,0.0695318215,0.0695318215,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Nd-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Nd-Rb +mp-1209676,RbZr6MnCl14,-6.0221348741,-2.0535773112,0.0,-0.0295926227,GGA,Cmce,A14BCD6_oC88_64_def2g_a_b_fg:Cl-Mn-Rb-Zr,44.0,A14BCD6_oC88_64_def2g_a_b_fg:Cl-Mn-Rb-Zr +mp-27831,Rb2ZrCl6,-4.7564889967,-2.3564902483,0.0,-0.0989278256,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Zr,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Zr +mp-1111700,Na3TlBr6,-2.905571828,-1.3407329273,0.1337830477,0.1337830477,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Na-Tl,10.0,A6B3C_cF40_225_e_ac_b:Br-Na-Tl +mp-1110993,Na2TlCuBr6,-2.973788172,-1.1312811336,0.1622463909,0.1622463909,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Na-Tl +mp-579768,CsTmCl3,-4.4128556,-2.2294860449,0.2015436848,0.2015436848,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Tm,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Tm +mp-1213743,Cs2TmCl5,-4.5180405578,-2.5793751244000003,0.0,-0.0409698307,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Tm,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Tm +mp-1077991,Cs2TmCl4,-4.19052293,-2.2389819575,0.1557705418,0.1557705418,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:Cl-Cs-Tm,7.0,A4B2C_tI14_139_ce_e_a:Cl-Cs-Tm +mp-1111479,Cs2RbTmCl6,-4.342377313,-2.508537893,0.0039367093,0.0039367093,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tm +mp-1213262,CsTm2Cl7,-4.9643163695,-2.6856333856,0.0,-0.0303788039,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Tm,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Tm +mp-1112342,Cs3TmCl6,-4.314655513,-2.489329263,0.0251608613,0.0251608613,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Tm +mp-1110814,CsRb2TmCl6,-4.27322324,-2.43087065,0.0790724427,0.0790724427,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Tm +mp-1093563,CsRbAu2,-1.99976427,0.1061608411,0.39670892,0.39670892,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cs-Rb,4.0,A2BC_oI8_71_e_a_b:Au-Cs-Rb +mp-1183931,CsRbAu2,-2.3890035325,-0.2830784214,0.0074696575,0.0074696575,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cs-Rb,4.0,A2BC_cF16_225_c_a_b:Au-Cs-Rb +mp-1228855,CsRb2Au7,-2.850399293,-0.2730348413,0.0,-0.016380341,GGA,Amm2,A7BC2_oC20_38_a2ce_a_ab:Au-Cs-Rb,10.0,"Invalid WP multiplicities - A7BC2_oC20_38_a3ce_a_ab:Au-Cs-Rb, expected CsRb2Au9 to be CsRb2Au7" +mp-1113412,CsRb2AuCl6,-3.250158886,-1.5280016383,0.185622189,0.185622189,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cs-Rb +mp-1112523,Cs2RbAuCl6,-3.30945466,-1.5958105823,0.119828767,0.119828767,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Rb +mp-1114071,Rb2InBiCl6,-3.688218787,-1.7237726905,0.0,-0.0077662546,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-In-Rb +mp-1114011,Rb2NaTlBr6,-3.078498081,-1.5820574245,0.0,-0.0329917231,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Tl +mp-1191656,Rb2Cd5As4,-2.5777255364,-0.2857263941,0.0,-0.0303851919,GGA,Cmcm,A4B5C2_oC44_63_fg_cfg_e:As-Cd-Rb,22.0,A4B5C2_oC44_63_fg_cfg_e:As-Cd-Rb +mp-5712,Cd2GeAs4,-3.6681398164,-0.0816711029,0.0051087714,0.0051087714,GGA,Pnma,A4B2C_oP28_62_2cd_d_c:As-Cd-Ge,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_6c3d_d_c:As-Cd-Ge, expected Cd2GeAs12 to be Cd2GeAs4" +mp-1086664,RbCd4As3,-2.573687035,-0.2425059941,0.0,-0.0171585275,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:As-Cd-Rb,8.0,A3B4C_hR24_166_ac_2c_b:As-Cd-Rb +mp-4953,CdGeAs2,-3.8071979725,-0.0911593662,0.0,-0.0196971512,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Cd-Ge,8.0,A2BC_tI16_122_d_a_b:As-Cd-Ge +mp-1105135,RbCdGeAs2,-3.473006266,-0.3040685665,0.0,-0.0389667715,GGA,P-1,A2BCD_aP20_2_4i_2i_2i_2i:As-Cd-Ge-Rb,20.0,A2BCD_aP20_2_4i_2i_2i_2i:As-Cd-Ge-Rb +mp-1095201,ZrCuGe2,-5.959520765,-0.4862800125,0.0,-0.0377332538,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Ge-Zr,8.0,AB2C_tP8_129_a_bc_c:Cu-Ge-Zr +mp-1078698,ZrCuGeAs,-6.0727041725,-0.5904407825,0.0,-0.0173987171,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Zr,8.0,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Zr +mp-1215774,Zr3GeAs5,-6.7632425569,-0.8119401381,0.0007042358,0.0007042358,GGA,Pm,A5BC3_mP36_6_8a12b_4a_6a6b:As-Ge-Zr,36.0,A5BC3_mP36_6_8a12b_4a_6a6b:As-Ge-Zr +mp-18279,Zr2CuGe4,-6.1531907679,-0.4836594321,0.0505272943,0.0505272943,GGA,Cmcm,AB4C2_oC28_63_c_4c_2c:Cu-Ge-Zr,14.0,AB4C2_oC28_63_c_4c_2c:Cu-Ge-Zr +mp-15985,Zr3(Cu2Ge)2,-6.1832593211,-0.4848166233,0.0,-0.0156394337,GGA,P-62m,A4B2C3_hP9_189_ag_d_f:Cu-Ge-Zr,9.0,A4B2C3_hP9_189_ag_d_f:Cu-Ge-Zr +mp-1207384,ZrGeAs,-6.6325782217,-0.689295925,0.072223735,0.072223735,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ge-Zr,12.0,ABC_oP12_62_c_c_c:As-Ge-Zr +mp-1103123,ZrCuGe,-6.3395598333,-0.5829147817,0.0,-0.0461826225,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Ge-Zr,12.0,ABC_oP12_62_c_c_c:Cu-Ge-Zr +mp-1195350,CsCdInTe3,-3.1907457621,-0.8574301717,0.0,-0.0044171271,GGA,C2/c,ABCD3_mC96_15_2ef_2f_2f_6f:Cd-Cs-In-Te,48.0,ABCD3_mC96_15_2ef_2f_2f_6f:Cd-Cs-In-Te +mp-1194337,Sr(LuSe2)2,-5.7294444539,-2.1987243962,0.0,-0.0189991282,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Lu-Se-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Lu-Se-Sr +mp-568191,SrLuCuSe3,-5.2313750458,-1.7651441998,0.0,-0.0324245367,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cu-Lu-Se-Sr,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_2c3f_c:Cu-Lu-Se-Sr, expected SrLuCuSe8 to be SrLuCuSe3" +mp-23363,NaAlCl4,-4.144958765,-2.0679174711,0.0,-0.0541699158,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:Al-Cl-Na,24.0,AB4C_oP24_19_a_4a_a:Al-Cl-Na +mp-1113929,Rb2NaAlCl6,-3.958086678,-2.1460477552,0.035774359,0.035774359,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Na-Rb +mp-1111450,Na3AlCl6,-3.823363206,-1.942926039,0.141671075,0.141671075,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Cl-Na,10.0,AB6C3_cF40_225_a_e_bc:Al-Cl-Na +mp-1215485,ZnIn2GeAs4,-3.679271845,0.0735547231,0.2704437856,0.2704437856,GGA,I4/mmm,A4BC2D_tI16_139_ce_a_d_b:As-Ge-In-Zn,8.0,"Invalid WP multiplicities - A4BC2D_tI16_139_2c2e_a_d_b:As-Ge-In-Zn, expected ZnIn2GeAs8 to be ZnIn2GeAs4" +mp-1215628,ZnInGeAs3,-3.9301451083,-0.16151004,0.0247878675,0.0247878675,GGA,Cm,A3BCD_mC12_8_3a_a_a_a:As-Ge-In-Zn,,A3BCD_mC12_8_3a_a_a_a:As-Ge-In-Zn +mp-1221565,MnTlCuSe2,-5.062766908,-0.5396292952,0.0,-0.0601024626,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Cu-Mn-Se-Tl,5.0,ABC2D_tI10_119_a_b_f_c:Cu-Mn-Se-Tl +mp-1208263,TmNi3Ge2,-5.7910362117,-0.6139860161,0.0,-0.0355461688,GGA,P-6,A2B3C_hP72_174_4j4k_4j8k_adf3j:Ge-Ni-Tm,72.0,"Invalid WP multiplicities - A2B3C_hP72_175_3j4k_4j7k_a2dfj:Ge-Ni-Tm, expected Tm7(Ni11Ge7)3 to be TmNi3Ge2" +mp-1068283,Tm2InNi2,-5.201968508,-0.5492429207,0.0,-0.038374999,GGA,Cmmm,AB2C2_oC10_65_a_g_h:In-Ni-Tm,5.0,AB2C2_oC10_65_a_g_h:In-Ni-Tm +mp-1216632,TmNiGe,-5.6899063583,-0.7302397056000001,0.0846684033,-0.0449440286,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ni-Tm,6.0,ABC_mC12_12_i_i_i:Ge-Ni-Tm +mp-21157,TmNiGe,-5.7745747617,-0.8149081089,0.0,-0.1296124319,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Tm +mp-1079976,TmNiGe2,-5.5259631825,-0.6504562292,0.0294352131,-0.0044558509,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Tm,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Tm +mp-1207716,TmNiGe2,-5.5553983956,-0.6798914423,0.0,-0.0338910641,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Ni-Tm,16.0,A2BC_oI32_71_efm_m_ei:Ge-Ni-Tm +mp-1079044,TmNiGe3,-5.363585776,-0.5385746423000001,0.0053385115,0.0053385115,GGA,Cmmm,A3BC_oC20_65_2gh_g_h:Ge-Ni-Tm,10.0,A3BC_oC20_65_2gh_g_h:Ge-Ni-Tm +mp-1208110,Tm3Ni11Ge4,-5.7709345578,-0.465316715,0.0571490289,0.0571490289,GGA,P6_3/mmc,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Tm,36.0,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Tm +mp-4195,Tm(NiGe)2,-5.723722086,-0.6672891873,0.0,-0.0269410008,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Tm,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Tm +mp-1205942,Tm2NiGe6,-5.2063392056,-0.4874531326,0.0144684525,0.0144684525,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Tm,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Tm +mp-20896,TmInNi4,-5.4663824733,-0.4083714944,0.0,-0.0516056778,GGA,F-43m,AB4C_cF24_216_a_e_c:In-Ni-Tm,6.0,AB4C_cF24_216_a_e_c:In-Ni-Tm +mp-1199794,Tm10In20Ni9,-4.307719754,-0.4150720885,0.0,-0.0065536253,GGA,P4/nmm,A20B9C10_tP78_129_gh2ij_aij_2cij:In-Ni-Tm,78.0,A20B9C10_tP78_129_gh2ij_aij_2cij:In-Ni-Tm +mp-1101052,TmInNi,-4.8355644256,-0.4996791478,0.0,-0.0110340876,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Tm,9.0,ABC_hP9_189_f_bc_g:In-Ni-Tm +mp-1191271,Tm5(In2Ni)2,-4.6078876095,-0.5218707553,0.0,-0.0519670932,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Ni-Tm,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Ni-Tm +mp-13511,Tm4In(NiGe2)2,-5.3713687382,-0.7616041742,0.0,-0.0111296149,GGA,C2/m,A4BC2D4_mC22_12_2i_a_i_2i:Ge-In-Ni-Tm,11.0,A4BC2D4_mC22_12_2i_a_i_2i:Ge-In-Ni-Tm +mp-1215404,ZrMn(CuSe2)2,-5.7111641912,-0.7246922947000001,0.1405756278,0.1405756278,GGA,Cm,A2BC4D_mC16_8_2a_a_4a_a:Cu-Mn-Se-Zr,8.0,A2BC4D_mC16_8_2a_a_4a_a:Cu-Mn-Se-Zr +mp-15614,Cu(RhSe2)2,-5.3385157221,-0.6511631049000001,0.0,-0.0147882482,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Rh-Se,14.0,AB2C4_cF56_227_a_d_e:Cu-Rh-Se +mp-1225080,FeCu(RhSe2)4,-5.6317859457,-0.6322322899,0.01210157,0.01210157,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Cu-Fe-Rh-Se,14.0,ABC4D8_cF56_216_a_c_e_2e:Cu-Fe-Rh-Se +mp-1224732,Fe(RhSe2)2,-5.89843956,-0.5866848656,0.0508197493,0.0508197493,GGA,Cm,AB2C4_mC14_8_a_2a_4a:Fe-Rh-Se,7.0,AB2C4_mC14_8_a_2a_4a:Fe-Rh-Se +mp-1078162,Fe(RhSe2)2,-5.9042175971,-0.5924629028,0.0450417121,0.0450417121,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Fe-Rh-Se,7.0,AB2C4_mC14_12_a_i_2i:Fe-Rh-Se +mp-1095874,FeCuRh2,-3.896032165,2.92842874,2.9545091325,2.9545091325,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Fe-Rh,4.0,ABC2_oI8_71_a_b_e:Cu-Fe-Rh +mp-1097601,GaCuNi2,-2.6237958375,2.0480981756,2.3086537413,2.3086537413,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Ni,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Ni +mp-1184005,GaCuNi2,-4.92999983,-0.2581058169,0.0024497488,0.0024497488,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Ni,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Ni +mp-1224944,GaCu4Ni15,-5.3339420485,-0.0275934034,0.030587893,0.030587893,GGA,P4/mmm,A4BC15_tP20_123_2g_a_ce2h2i:Cu-Ga-Ni,20.0,"Invalid WP multiplicities - A4BC15_tP20_123_3g_a_c2e3h7i:Cu-Ga-Ni, expected Ga(Cu2Ni13)3 to be GaCu4Ni15" +mp-5866,MnCuSb,-5.7636951867,0.0330458807,0.1172821983,0.1172821983,GGA,F-43m,ABC_cF12_216_c_a_b:Cu-Mn-Sb,3.0,ABC_cF12_216_c_a_b:Cu-Mn-Sb +mp-999566,Mn2CuSb,-6.4069634425,0.231096181,0.2942734193,0.2942734193,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cu-Mn-Sb,4.0,AB2C_cF16_216_a_bc_d:Cu-Mn-Sb +mp-16320,MnCu2Sb,-5.1956702175,0.1766872505,0.2398644887,0.2398644887,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Mn-Sb,4.0,A2BC_cF16_225_c_a_b:Cu-Mn-Sb +mp-30069,CuNi2Sb,-5.0865094575,-0.13938914,0.0529972808,0.0529972808,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ni-Sb,4.0,AB2C_cF16_225_a_c_b:Cu-Ni-Sb +mp-1225788,Cu2NiSb,-4.4358168625,0.0910709525,0.274419545,0.274419545,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ni-Sb,4.0,A2BC_cF16_225_c_a_b:Cu-Ni-Sb +mp-1221889,Mn2CuNiSb2,-6.19961393,-0.122717861,0.0548814792,0.0548814792,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Ni-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Ni-Sb +mp-11834,CuNiSb2,-4.77596804,-0.2416315825,0.002353435,0.002353435,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Ni-Sb,4.0,ABC2_hP4_164_a_b_d:Cu-Ni-Sb +mp-505815,CsLa2CuSe4,-5.4269695094,-1.820685864,0.0,-0.0781254847,GGA,Cmcm,ABC2D4_oC32_63_c_c_f_acf:Cs-Cu-La-Se,16.0,ABC2D4_oC32_63_c_c_f_acf:Cs-Cu-La-Se +mp-1208670,SrLaCuSe3,-5.3477902629,-1.8123833194,0.0012747983,0.0012747983,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-La-Se-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-La-Se-Sr +mp-1218227,SrLaCuSe3,-5.3465612004,-1.8111542569,0.0025038608,0.0025038608,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-La-Se-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-La-Se-Sr +mp-33569,Sr(LaSe2)2,-5.9679473743,-2.3186397209000003,0.0,-0.0096188045,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-Se-Sr,14.0,A2B4C_tI28_122_d_e_a:La-Se-Sr +mp-34412,Sr(La2Se3)4,-6.2538839319,-2.2953845021,0.0038897585,0.0038897585,GGA,Cc,A8B12C_mC84_9_8a_12a_a:La-Se-Sr,42.0,"Invalid WP multiplicities - A8B12C_mC84_9_16a_24a_a:La-Se-Sr, expected Sr(La2Se3)8 to be Sr(La2Se3)4" +mp-1069708,BaGe3Ir,-5.450191656,-0.524893119,0.0,-0.037054629,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Ge-Ir,5.0,AB3C_tI10_107_a_ab_a:Ba-Ge-Ir +mp-1190166,Ba2Mg(GeIr)4,-5.9935618991,-0.6041002564,0.0,-0.0752610649,GGA,Cmcm,A2B4C4D_oC44_63_e_fg_fg_c:Ba-Ge-Ir-Mg,22.0,A2B4C4D_oC44_63_e_fg_fg_c:Ba-Ge-Ir-Mg +mp-1190188,Ba2Ge5Ir4,-6.2334290691,-0.5691721714,0.0,-0.1570881527,GGA,Cmcm,A2B5C4_oC44_63_e_cfg_fg:Ba-Ge-Ir,22.0,A2B5C4_oC44_63_e_cfg_fg:Ba-Ge-Ir +mp-1190530,Ba3(Ge4Ir)4,-5.3858165817,-0.3823771374,0.0,-0.0007362723,GGA,I4/mmm,A3B16C4_tI46_139_ad_2ejm_g:Ba-Ge-Ir,23.0,A3B16C4_tI46_139_ad_2ejm_g:Ba-Ge-Ir +mp-865160,MgGeIr2,-6.3155853525,-0.3405412863,0.019706492,0.019706492,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ir-Mg,4.0,AB2C_cF16_225_a_c_b:Ge-Ir-Mg +mp-639228,Tb2Mn3Si5,-6.9767331332,-0.5885963106000001,0.0,-0.0123789135,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Tb,40.0,"Invalid WP multiplicities - A3B5C2_tP40_128_2d2h_4e5g4h_h:Mn-Si-Tb, expected TbMn3Si11 to be Tb2Mn3Si5" +mp-20597,TbMnSi,-6.8850865508,-0.4778534101,0.0675750042,0.0531135442,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Si-Tb,12.0,ABC_oP12_62_c_c_c:Mn-Si-Tb +mp-20822,TbMnSi,-6.952661555,-0.5454284143,0.0,-0.0144614599,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Si-Tb,6.0,ABC_tP6_129_a_c_c:Mn-Si-Tb +mp-5677,Tb(MnSi)2,-7.36250876,-0.6007022112,0.0,-0.0683703832,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-Tb +mp-1217644,Tb3Mn3Ga2Si,-6.2014231289,-0.3269059899,0.1337935655,0.1337935655,GGA,P-6,A2B3CD3_hP9_174_ad_j_e_k:Ga-Mn-Si-Tb,9.0,A2B3CD3_hP9_174_ad_j_e_k:Ga-Mn-Si-Tb +mp-22582,Tb3Mn3Ga2Si,-6.1988581833,-0.3243410443,0.136358511,0.136358511,GGA,P-62m,A2B3CD3_hP9_189_c_f_b_g:Ga-Mn-Si-Tb,9.0,A2B3CD3_hP9_189_c_f_b_g:Ga-Mn-Si-Tb +mp-571586,Nd(SiOs)2,-8.310976652,-0.6962729815,0.0,-0.2550791363,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Nd-Os-Si +mp-1068775,NdSi3Os,-7.034856816,-0.5805630255,0.0,-0.0357527327,GGA,I4mm,ABC3_tI10_107_a_a_ab:Nd-Os-Si,5.0,ABC3_tI10_107_a_a_ab:Nd-Os-Si +mp-1220162,NdFeSi2Os,-7.683661758,-0.6204273315000001,0.02536792,0.02536792,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Fe-Nd-Os-Si,5.0,ABCD2_tI10_119_a_c_b_f:Fe-Nd-Os-Si +mp-1221860,Mn2SiNi2Ge,-7.0277542358,-0.3723125976,0.0,-0.0086528837,GGA,Pmc2_1,AB2C2D_oP12_26_a_ab_ab_b:Ge-Mn-Ni-Si,12.0,AB2C2D_oP12_26_a_ab_ab_b:Ge-Mn-Ni-Si +mp-1025560,Ce2(CuGe)3,-5.1852504325,-0.4311401969,0.1037907194,0.1037907194,GGA,Amm2,A2B3C3_oC16_38_ab_2ab_a2b:Ce-Cu-Ge,8.0,A2B3C3_oC16_38_ab_2ab_a2b:Ce-Cu-Ge +mp-1080708,CeCuGe2,-5.3574962438,-0.53790836,0.0037221866,0.0037221866,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Cu-Ge,8.0,ABC2_oC16_63_c_c_2c:Ce-Cu-Ge +mp-1206082,CeCuGe2,-4.8776090838,-0.0580211999999999,0.4836093466,0.4836093466,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Cu-Ge,8.0,ABC2_oC16_63_c_c_2c:Ce-Cu-Ge +mp-1226602,CeCuGe,-5.4565662167,-0.5714583233,0.0123672917,-0.0376030383,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Cu-Ge,3.0,ABC_hP3_187_b_c_e:Ce-Cu-Ge +mp-20766,CeCuGe,-5.4689335083,-0.5838256150000001,0.0,-0.04997033,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Cu-Ge,6.0,ABC_hP6_194_a_c_d:Ce-Cu-Ge +mp-5684,Ce2CuGe6,-5.27696898,-0.4210187456,0.0236863115,0.0236863115,GGA,Amm2,A2BC6_oC18_38_2a_b_2a4b:Ce-Cu-Ge,9.0,A2BC6_oC18_38_2a_b_2a4b:Ce-Cu-Ge +mp-570564,Ce3CuGeSe7,-5.8001805233,-1.5507736622,0.0,-0.0316249157,GGA,P6_3,A3BCD7_hP24_173_c_a_b_b2c:Ce-Cu-Ge-Se,24.0,"Invalid WP multiplicities - A3BCD7_hP24_173_c_a_b_2b9c:Ce-Cu-Ge-Se, expected Ce3CuGeSe29 to be Ce3CuGeSe7" +mp-22623,Ce3(CuGe)4,-5.3408981073,-0.5510612377,0.0,-0.0055908073,GGA,Immm,A3B4C4_oI22_71_af_n_eh:Ce-Cu-Ge,11.0,"Invalid WP multiplicities - A3B4C4_oI22_71_af_n_2eh:Ce-Cu-Ge, expected Ce3(Cu2Ge3)2 to be Ce3(CuGe)4" +mp-20173,Ce(CuGe)2,-5.17495585,-0.499444209,0.0,-0.069117521,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Cu-Ge,5.0,AB2C2_tI10_139_a_d_e:Ce-Cu-Ge +mp-1226816,Ce2CuGe3,-5.570022425,-0.5976110008000001,0.0220639965,0.0220639965,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ce-Cu-Ge,6.0,A2BC3_hP6_187_i_a_bcd:Ce-Cu-Ge +mp-1105932,Li2MgSi,-2.9389635919,-0.2281026385,0.0,-0.0246645784,GGA,P-43m,A2BC_cP16_215_ade_bc_e:Li-Mg-Si,16.0,A2BC_cP16_215_ade_bc_e:Li-Mg-Si +mp-1018009,Li2MgSi,-2.928819485,-0.2179585317,0.0101441069,-0.0145204715,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Si,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Si +mp-569174,Li2MgSi,-2.9141122506,-0.2032512973,0.0248513412,0.0001867629,GGA,Fm-3m,A2BC_cF128_225_cef_f_abd:Li-Mg-Si,32.0,"Invalid WP multiplicities - A2BC_cF128_225_2c4e5f_f_ab2d:Li-Mg-Si, expected Li34Mg4Si7 to be Li2MgSi" +mp-15551,Sr2LiSi3,-3.9999510879,-0.4059737774,0.0,-0.0515928576,GGA,Fddd,AB3C2_oF96_70_e_eh_2f:Li-Si-Sr,24.0,AB3C2_oF96_70_e_eh_2f:Li-Si-Sr +mp-1026843,LiMg14Si,-1.8509266337,0.007708466,0.0683632332,0.0683632332,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Si, expected LiMg18Si to be LiMg14Si" +mp-1026842,LiMg14Si,-1.8393214812,0.0193136185,0.0799683857,0.0799683857,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Si, expected LiMg26Si to be LiMg14Si" +mp-1222798,Li14MgSi4,-2.8689595926,-0.2359873661,0.0,-0.0180250388,GGA,I-42d,A14BC4_tI76_122_d3e_a_e:Li-Mg-Si,38.0,"Invalid WP multiplicities - A14BC4_tI76_122_d4e_a_e:Li-Mg-Si, expected Li18MgSi4 to be Li14MgSi4" +mp-1218749,Sr2LiMgSi3,-3.679152365,-0.3699889488,0.0,-0.0040805336,GGA,Cmc2_1,ABC3D2_oC28_36_a_a_3a_2a:Li-Mg-Si-Sr,14.0,"Invalid WP multiplicities - ABC3D2_oC28_36_a_a_4a_2a:Li-Mg-Si-Sr, expected Sr2LiMgSi4 to be Sr2LiMgSi3" +mp-1026831,SrLiMg14,-1.58753289,0.0376131737,0.0832695932,0.0832695932,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Sr, expected SrLiMg18 to be SrLiMg14" +mp-1026818,SrLiMg14,-1.5874670069,0.0376790569,0.0833354763,0.0833354763,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Sr, expected SrLiMg26 to be SrLiMg14" +mp-1103513,Li3(Mg2Si)4,-2.7264659313,-0.04444719,0.1137260318,0.1137260318,GGA,Pm-3m,A3B8C4_cP15_221_d_g_ac:Li-Mg-Si,15.0,A3B8C4_cP15_221_d_g_ac:Li-Mg-Si +mp-1017456,SrMg6Si,-2.0534256619,0.036135811,0.1872004326,0.1872004326,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Sr, expected SrMg12Si to be SrMg6Si" +mp-1099336,SrMg6Si,-2.012160775,0.0774006979,0.2284653195,0.2284653195,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Sr,8.0,A6BC_oC16_38_abde_a_b:Mg-Si-Sr +mp-29546,Sr13(MgSi10)2,-4.1757607307,-0.3566082852,0.0,-0.0003062009,GGA,Pbam,A2B20C13_oP140_55_gh_8g8h2i_egh5i:Mg-Si-Sr,140.0,A2B20C13_oP140_55_gh_8g8h2i_egh5i:Mg-Si-Sr +mp-1104791,Li(Mg2Si)4,-2.9079769292,-0.107020361,0.0330311284,0.0330311284,GGA,Pm-3m,AB8C4_cP13_221_b_g_ac:Li-Mg-Si,13.0,"Invalid WP multiplicities - AB8C4_cP13_221_b_g_a2c:Li-Mg-Si, expected LiMg8Si7 to be Li(Mg2Si)4" +mp-15642,SrMgSi,-3.2746054392,-0.3695749281,0.0,-0.0749715,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Si-Sr,12.0,ABC_oP12_62_c_c_c:Mg-Si-Sr +mp-962059,SrMgSi,-2.4023608733,0.5026696378000001,0.8722445658,0.7972730658,GGA,F-43m,ABC_cF12_216_a_b_c:Mg-Si-Sr,3.0,ABC_cF12_216_a_b_c:Mg-Si-Sr +mp-1026717,SrMg14Si,-1.8101854631,0.0347352983,0.1202468279,0.1202468279,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Sr, expected SrMg18Si to be SrMg14Si" +mp-1026693,SrMg14Si,-1.7686393312000002,0.0762814302,0.1617929598,0.1617929598,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Sr, expected SrMg26Si to be SrMg14Si" +mp-573908,Sr11(MgSi5)2,-3.7020309304,-0.3960236093,0.0076365547,0.0076365547,GGA,C2/m,A2B10C11_mC46_12_i_5i_a5i:Mg-Si-Sr,23.0,"Invalid WP multiplicities - A2B10C11_mC46_12_i_10i_a10i:Mg-Si-Sr, expected Sr21(MgSi10)2 to be Sr11(MgSi5)2" +mp-1067042,LiMg2Si,-2.66383372,-0.0301334708,0.1354017048,0.1354017048,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Si,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Si +mp-1021283,LiMg6Si,-2.0880283512,0.0289617983,0.1245767016,0.1245767016,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Si, expected LiMg12Si to be LiMg6Si" +mp-1021287,LiMg6Si,-2.0919742456,0.025015904,0.1206308073,0.1206308073,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Si, expected LiMg12Si to be LiMg6Si" +mp-1021286,SrLiMg6,-1.5973704219,0.0526416556,0.1172036462,0.1172036462,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Sr, expected SrLiMg12 to be SrLiMg6" +mp-1021317,SrLiMg6,-1.59061683,0.0593952475,0.1239572381,0.1239572381,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Sr, expected SrLiMg12 to be SrLiMg6" +mp-1097272,Sr2LiMg,-0.4883444725,1.2337029833,1.2694008682,1.2694008682,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mg-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Mg-Sr +mp-8331,Li12Mg3Si4,-2.8150892442,-0.2146057353,0.0081440239,0.0081440239,GGA,I-43d,A12B3C4_cI76_220_e_a_c:Li-Mg-Si,38.0,A12B3C4_cI76_220_e_a_c:Li-Mg-Si +mp-1096762,SrLi2Si,-1.3401124275,1.3930518767,1.6537126196,1.6537126196,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Si-Sr,4.0,A2BC_oI8_71_e_a_b:Li-Si-Sr +mp-1222684,Li2Mg3Si2,-2.9553203943,-0.1739886881,0.0115237082,0.0115237082,GGA,R3m,A2B3C2_hR21_160_2a_3a_2a:Li-Mg-Si,7.0,A2B3C2_hR21_160_2a_3a_2a:Li-Mg-Si +mp-29002,SrMgSi2,-3.8502727994,-0.3151704085,0.0,-0.0314232404,GGA,Pnma,AB2C_oP32_62_2c_4c_2c:Mg-Si-Sr,32.0,"Invalid WP multiplicities - AB2C_oP32_62_2c_8c_3c:Mg-Si-Sr, expected Sr3(MgSi4)2 to be SrMgSi2" +mp-1208612,SrLiSi,-3.2360480333,-0.2281365833,0.0903288307,0.0903288307,GGA,P-6m2,ABC_hP3_187_a_c_f:Li-Si-Sr,3.0,ABC_hP3_187_a_c_f:Li-Si-Sr +mp-1077902,Li(Mg2Si)2,-2.8130885343000003,-0.075848659,0.0739109013,0.0739109013,GGA,P4/mmm,AB4C2_tP7_123_a_i_bc:Li-Mg-Si,7.0,AB4C2_tP7_123_a_i_bc:Li-Mg-Si +mp-1213352,CsLu(NbBr3)6,-5.1809927648,-1.5664276467,0.0,-0.0300302078,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Lu-Nb,52.0,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Lu-Nb +mp-669304,Cs3Tb2Br9,-4.1589199132,-2.3066203213,0.0,-0.0848374582,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Br-Cs-Tb,28.0,"Invalid WP multiplicities - A9B3C2_hR84_167_4e5f_e_c:Br-Cs-Tb, expected Cs3Tb2Br42 to be Cs3Tb2Br9" +mp-1213369,CsTb(NbBr3)6,-5.1940533254,-1.5751260695,0.0,-0.0215796561,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Tb,52.0,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Tb +mp-1113740,Na2LiPrCl6,-4.246911215,-2.2043012981,0.1701778025,0.1701778025,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Pr,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Pr +mp-1112937,Cs2TbAgCl6,-4.251688944,-2.2167942633,0.0,-0.0229036061,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tb +mp-582081,Cs3NdCl6,-4.3700525930000005,-2.5154951421,0.0,-0.063347728,GGA,Pbcm,A6B3C_oP80_57_2d5e_3e_cd:Cl-Cs-Nd,80.0,"Invalid WP multiplicities - A6B3C_oP80_57_8d35e_15e_2c2d:Cl-Cs-Nd, expected Cs15Nd2Cl39 to be Cs3NdCl6" +mp-1113409,Cs2NdAuCl6,-4.151568344,-2.0591629303,0.101673728,0.101673728,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Nd +mp-1213620,CsEuTa6Cl18,-6.3520846737,-1.9069796801,0.2000042206,0.2000042206,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Eu-Ta,52.0,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Eu-Ta +mp-1184414,Eu3Ta,-10.0074265175,0.64976924,0.64976924,0.64976924,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Ta,4.0,A3B_tI8_139_ad_b:Eu-Ta +mp-1184433,Eu3Ta,-9.96188407,0.6953116875,0.6953116875,0.6953116875,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Ta,4.0,A3B_cF16_225_ac_b:Eu-Ta +mp-1220860,Na5EuTaAs4,-4.9187433505,-0.6129361216,0.0,-0.0413019478,GGA,Cc,A4BC5D_mC44_9_4a_a_5a_a:As-Eu-Na-Ta,22.0,"Invalid WP multiplicities - A4BC5D_mC44_9_7a_a_10a_a:As-Eu-Na-Ta, expected Na10EuTaAs7 to be Na5EuTaAs4" +mp-1111132,Na2DyCuCl6,-4.166903926,-1.9226775203,0.154009534,0.154009534,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-Na +mp-1112516,Cs2RbGdCl6,-5.290524773,-2.4966566713,0.0082598708,0.0082598708,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Rb +mp-1111780,CsRb2GdCl6,-5.219913633,-2.4175323613,0.0781283914,0.0781283914,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Gd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Gd-Rb +mp-1190370,CsNd2Ag3Te5,-4.2521798373,-1.1025530451,0.0,-0.027476977,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Nd-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Nd-Te +mp-1113181,Cs2ScCuCl6,-4.423671052,-2.0923010041,0.052249664,0.052249664,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sc +mp-1219061,Sn2Ge5(SbTe5)2,-4.0741064789,-0.3464567738,0.0207919742,0.0207919742,GGA,R3m,A5B2C2D10_hR57_160_5a_2a_2a_10a:Ge-Sb-Sn-Te,19.0,A5B2C2D10_hR57_160_5a_2a_2a_10a:Ge-Sb-Sn-Te +mp-1219067,Sn5Ge2(SbTe5)2,-4.0398837474,-0.4090955159,0.0193974174,0.0193974174,GGA,R3m,A2B2C5D10_hR57_160_2a_2a_5a_10a:Ge-Sb-Sn-Te,19.0,A2B2C5D10_hR57_160_2a_2a_5a_10a:Ge-Sb-Sn-Te +mp-27947,Sn(SbTe2)2,-3.9702873614,-0.421601946,0.0,-0.0058422514,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Sb-Sn-Te,7.0,A2BC4_hR21_166_c_a_2c:Sb-Sn-Te +mp-570163,Tm4Mn4Sn7,-5.8681082277000005,-0.3602145046,0.0520718252,0.0520718252,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Mn-Sn-Tm,30.0,"Invalid WP multiplicities - A4B7C4_tI60_139_k_2e3h3i4j_2h3i:Mn-Sn-Tm, expected Tm5Mn2Sn11 to be Tm4Mn4Sn7" +mp-1216923,TmMn6InSn5,-6.4318243246,-0.1050958492,0.0269259057,0.0269259057,GGA,P-6m2,AB6C5D_hP13_187_b_n_acdi_e:In-Mn-Sn-Tm,13.0,AB6C5D_hP13_187_b_n_acdi_e:In-Mn-Sn-Tm +mp-4298,Tm(MnSn)6,-6.5580531008000005,-0.1345640003,0.0,-0.0101689817,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Mn-Sn-Tm,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_c2de_a:Mn-Sn-Tm, expected Tm(Mn3Sn4)2 to be Tm(MnSn)6" +mp-1216695,TmMnIn,-5.54602873,-0.0828505815,0.1863411607,0.1863411607,GGA,P-6m2,ABC_hP3_187_a_c_f:In-Mn-Tm,3.0,ABC_hP3_187_a_c_f:In-Mn-Tm +mp-1217086,Tm2Mn12InSn11,-6.4929358658,-0.1178270778,0.0154657998,0.0154657998,GGA,P-6m2,AB12C11D2_hP26_187_a_2n_bcdgh2i_i:In-Mn-Sn-Tm,26.0,"Invalid WP multiplicities - AB12C11D2_hP26_187_a_12n_bcdgh4i_i:In-Mn-Sn-Tm, expected Tm2Mn72InSn15 to be Tm2Mn12InSn11" +mp-1203741,TmMnSn2,-5.7641246804,-0.3498760741,0.0544077364,0.0544077364,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Mn-Sn-Tm,48.0,AB2C_oP48_55_ei_2g2hi_gi:Mn-Sn-Tm +mp-1216827,TmIn2Sn,-3.8634246425,-0.3662309579,0.0151303844,0.0151303844,GGA,P4/mmm,A2BC_tP4_123_e_a_c:In-Sn-Tm,4.0,A2BC_tP4_123_e_a_c:In-Sn-Tm +mp-1079232,Cs2HgPdCl6,-3.365683121,-1.5291244331,0.0017132104,0.0017132104,GGA,I4/mmm,A6B2CD_tI20_139_eh_d_a_b:Cl-Cs-Hg-Pd,10.0,A6B2CD_tI20_139_eh_d_a_b:Cl-Cs-Hg-Pd +mp-30314,Cs2PdCl4,-3.8032838721,-1.7511648444,0.0001779136,-0.0474073154,GGA,Cmcm,A4B2C_oC28_63_ef_g_a:Cl-Cs-Pd,14.0,A4B2C_oC28_63_ef_g_a:Cl-Cs-Pd +mp-1078085,Cs2PdCl4,-3.8034617857,-1.751342758,0.0,-0.0475852289,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Cl-Cs-Pd,7.0,A4B2C_tP7_123_j_e_a:Cl-Cs-Pd +mp-29988,CsPd2Cl5,-3.82421764,-1.2619864785,0.0049613828,0.0049613828,GGA,Pnma,A5BC2_oP32_62_c2d_c_d:Cl-Cs-Pd,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_c3d_c_d:Cl-Cs-Pd, expected CsPd2Cl7 to be CsPd2Cl5" +mp-1206568,Cs2PdCl6,-3.6070279578,-1.6001494562,0.0,-0.2379939778,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Pd,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Pd +mp-29882,CsPdCl3,-3.8074593235,-1.4832804911,0.009718322,0.009718322,GGA,Ibam,A3BC_oI40_72_3j_f_j:Cl-Cs-Pd,20.0,A3BC_oI40_72_3j_f_j:Cl-Cs-Pd +mp-1147710,CsPdCl3,-3.764970952,-1.4407921196,0.0522066935,0.0522066935,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Pd,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Pd +mp-1193797,Ba(DySe2)2,-5.8312907786,-2.2432629885,0.0,-0.0600705214,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Dy-Se,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Dy-Se +mp-1106127,Ba2DyInSe5,-5.06684369,-1.8806239302,0.0064809915,0.0064809915,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-In-Se,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-In-Se +mp-1114049,Rb2ScInCl6,-4.382824458,-2.169180364,0.0,-0.0075112102,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Sc +mp-675880,Cu2SnTe3,-3.9542469233,-0.3479297775,0.0166775713,0.0166775713,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cu-Sn-Te,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_5a:Cu-Sn-Te, expected Cu4SnTe5 to be Cu2SnTe3" +mp-1226087,Cu2SnTe3,-3.9537628946,-0.3474457487,0.0171616001,0.0171616001,GGA,Fdd2,A2BC3_oF96_43_2ab_b_3b:Cu-Sn-Te,24.0,"Invalid WP multiplicities - A2BC3_oF96_43_3a2b_b_11b:Cu-Sn-Te, expected Cu7(SnTe11)2 to be Cu2SnTe3" +mp-13089,Cu2SnTe3,-3.9554003033,-0.3490831575,0.0155241913,0.0155241913,GGA,Imm2,A2BC3_oI12_44_c_a_bc:Cu-Sn-Te,6.0,A2BC3_oI12_44_c_a_bc:Cu-Sn-Te +mp-1025532,MnCu2SnTe4,-4.5936907975,-0.3507877899,0.0,-0.0002193526,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Mn-Sn-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Mn-Sn-Te +mp-1103821,Cu5Sn2Te7,-3.9635906593,-0.3551393512,0.0,-0.0152516604,GGA,C2,A5B2C7_mC28_5_a2c_c_b3c:Cu-Sn-Te,14.0,A5B2C7_mC28_5_a2c_c_b3c:Cu-Sn-Te +mp-1222807,LaGe2RuRh,-6.977203864,-0.813049219,0.0,-0.016630892,GGA,I-4m2,A2BCD_tI10_119_f_c_a_b:Ge-La-Rh-Ru,5.0,A2BCD_tI10_119_f_c_a_b:Ge-La-Rh-Ru +mp-989512,LiTl2InCl6,-3.623921788,-1.576210503,0.0,-0.0378161647,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Tl +mp-1222587,Li5TlIn,-2.3437441671,-0.2496097086,0.0047340064,0.0047340064,GGA,R3m,AB5C_hR21_160_a_5a_a:In-Li-Tl,7.0,AB5C_hR21_160_a_5a_a:In-Li-Tl +mp-1095772,Li2TlIn,-1.2167136975,1.016329455,1.263514265,1.261104341,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Tl,4.0,AB2C_oI8_71_a_e_b:In-Li-Tl +mp-1184958,Li2TlIn,-2.4802279625,-0.24718481,0.0,-0.002409924,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Tl,4.0,AB2C_cF16_225_a_c_b:In-Li-Tl +mp-12418,SrCaGe,-3.3816628808,-0.6089558181,0.0,-0.0358057396,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Ge-Sr,12.0,ABC_oP12_62_c_c_c:Ca-Ge-Sr +mp-619206,SrCa2In2Ge,-3.0628786367,-0.4250305486,0.1063066282,0.1063066282,GGA,Cmcm,A2BC2D_oC24_63_f_c_f_c:Ca-Ge-In-Sr,12.0,A2BC2D_oC24_63_f_c_f_c:Ca-Ge-In-Sr +mp-980948,SrCaIn2,-2.72906818,-0.4294529817,0.0179679922,0.0179679922,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-In-Sr,4.0,AB2C_cF16_225_a_c_b:Ca-In-Sr +mp-1213165,DyMn6(Sn2Ge)2,-6.7536132354,-0.2256731029,0.0,-0.0100744036,GGA,P6/mmm,AB2C6D4_hP13_191_a_c_i_de:Dy-Ge-Mn-Sn,13.0,AB2C6D4_hP13_191_a_c_i_de:Dy-Ge-Mn-Sn +mp-1202416,DyMnSn2,-5.821475845,-0.3744893845,0.067196588,0.067196588,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Dy-Mn-Sn,48.0,ABC2_oP48_55_gi_ei_2g2hi:Dy-Mn-Sn +mp-1105051,Dy(MnSn)6,-6.5727356577,-0.1391733714,0.001565545,0.001565545,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Dy-Mn-Sn,13.0,AB6C6_hP13_191_a_i_cde:Dy-Mn-Sn +mp-1105698,Ba2DyGaSe5,-5.1250088022,-1.9080765655,0.0018864506,0.0018864506,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Dy-Ga-Se,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Dy-Ga-Se +mp-1113563,Rb2AlHgBr6,-3.070020666,-1.537171234,0.1247670915,0.1247670915,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-Rb +mp-1217670,Tb2ZnAg,-3.68098198,-0.3407240267,0.0,-0.013563175,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Tb-Zn,4.0,AB2C_tP4_123_a_h_b:Ag-Tb-Zn +mp-1186868,TbAgAs2,-4.9524523275,-0.7561625992000001,0.0094202446,0.0094202446,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-As-Tb,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:Ag-As-Tb, expected TbAgAs5 to be TbAgAs2" +mp-1206043,TbAgAs2,-4.95202429,-0.7557345617,0.0098482821,0.0098482821,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ag-As-Tb,8.0,AB2C_tP8_129_a_bc_c:Ag-As-Tb +mp-1217412,TbZnAgAs2,-4.229615632,-0.6206351273,0.0522861784,0.0522861784,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-As-Tb-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-As-Tb-Zn +mp-10097,Na3Sr3GaAs4,-3.6141429064,-0.8231769170000001,0.0,-0.0281311468,GGA,P6_3mc,A4BC3D3_hP22_186_bc_b_c_c:As-Ga-Na-Sr,22.0,"Invalid WP multiplicities - A4BC3D3_hP22_186_2b3c_b_c_c:As-Ga-Na-Sr, expected Na3Sr3GaAs11 to be Na3Sr3GaAs4" +mp-972120,Sr(GaAs)2,-4.0608248785,-0.6480404168,0.0,-0.0191598276,GGA,P2/m,A2B2C_mP20_10_2m2n_2m2n_cdn:As-Ga-Sr,20.0,"Invalid WP multiplicities - A2B2C_mP20_10_4m3n_3m3n_adn:As-Ga-Sr, expected Sr2Ga6As7 to be Sr(GaAs)2" +mp-1219124,Sr14GaAs11,-4.1009559486,-1.1035979938,0.0,-0.0070388169,GGA,Iba2,A11BC14_oI208_45_11c_c_ab13c:As-Ga-Sr,104.0,"Invalid WP multiplicities - A11BC14_oI208_45_19c_c_ab26c:As-Ga-Sr, expected Sr27GaAs19 to be Sr14GaAs11" +mp-1194661,Sr3GaAs3,-4.1661458241,-1.0127270245,0.0,-0.0374763487,GGA,Pnma,A3BC3_oP56_62_2c2d_d_2c2d:As-Ga-Sr,56.0,A3BC3_oP56_62_2c2d_d_2c2d:As-Ga-Sr +mp-1189054,Sr3(GaAs2)2,-4.1781054822,-0.8713114794,0.0,-0.0052976524,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:As-Ga-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:As-Ga-Sr +mp-1097139,ZnGaAg2,-1.4672193525,1.0210185573,1.0734005018,1.0734005018,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ga-Zn,4.0,A2BC_oI8_71_e_a_b:Ag-Ga-Zn +mp-1215584,Zn2GaAgSe4,-3.5644897013,-0.7690165567,0.0520789644,0.0520789644,GGA,Pm,ABC4D2_mP8_6_a_b_2a2b_ab:Ag-Ga-Se-Zn,8.0,ABC4D2_mP8_6_a_b_2a2b_ab:Ag-Ga-Se-Zn +mp-1206353,Zn2GaAgSe4,-3.6080886313,-0.8126154867000001,0.0084800344,0.0084800344,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Ag-Ga-Se-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Ag-Ga-Se-Zn +mp-568189,Gd3CuGeSe7,-7.8522512208,-1.5670860885,0.0,-0.0140188688,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Cu-Gd-Ge-Se,24.0,"Invalid WP multiplicities - AB3CD7_hP24_173_a_c_b_2b7c:Cu-Gd-Ge-Se, expected Gd3CuGeSe23 to be Gd3CuGeSe7" +mp-621619,Gd3(CuGe)4,-7.6311134027,-0.6204493282,0.0,-0.1508557999999999,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Gd-Ge,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_a2f_e2h:Cu-Gd-Ge, expected Gd5(Cu2Ge3)2 to be Gd3(CuGe)4" +mp-1195323,Cs2Sn3HgSe8,-3.8786515482,-0.8721877985,0.0,-0.0215106391,GGA,P2_12_12_1,A2BC8D3_oP56_19_2a_a_8a_3a:Cs-Hg-Se-Sn,56.0,A2BC8D3_oP56_19_2a_a_8a_3a:Cs-Hg-Se-Sn +mp-1226308,Cs4Sn21Hg2,-3.460353625,-0.1866506927,0.0,-0.0202006499,GGA,Ama2,A4B2C21_oC108_40_a3b_ab_5b8c:Cs-Hg-Sn,54.0,"Invalid WP multiplicities - A4B2C21_oC108_40_2a3b_2ab_9b30c:Cs-Hg-Sn, expected Cs5(Sn23Hg)3 to be Cs4Sn21Hg2" +mp-1079944,LuCuAs2,-5.2469123338,-0.7623138337,0.0,-0.0272934125,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Lu,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Lu +mp-1222253,LuZnCuAs2,-4.465754588,-0.626127066,0.0269383274,0.0269383274,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Lu-Zn,5.0,A2BCD_hP5_156_ab_a_c_b:As-Cu-Lu-Zn +mp-1207304,Lu2CuAs3,-2.0505889317,2.4691548892,3.4673777258,3.4673777258,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Cu-Lu,6.0,A3BC2_tP6_123_ag_b_g:As-Cu-Lu +mp-973662,Lu2ZnCu,-3.92334883,-0.323136,0.0,-0.0321654756,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Zn +mp-1217672,Tb2ZnCu,-3.943962875,-0.287042255,0.00431294,0.00431294,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Cu-Tb-Zn,4.0,AB2C_tP4_123_a_h_b:Cu-Tb-Zn +mp-1217421,TbZnCuAs2,-4.532793212,-0.670482574,0.0174354616,0.0174354616,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Tb-Zn,5.0,A2BCD_hP5_156_ab_a_c_b:As-Cu-Tb-Zn +mp-7194,TbCuAs2,-5.3401378025,-0.8271854075,0.0,-0.0616025637,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Tb,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Tb +mp-972837,SiBi3,-3.82218308,0.414513275,0.414513275,0.414513275,GGA,Fm-3m,A3B_cF16_225_ac_b:Bi-Si,4.0,A3B_cF16_225_ac_b:Bi-Si +mp-1224775,Gd2Si3Ni,-9.0629533983,-0.6948975233,0.10958955,0.10958955,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Gd-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Gd-Ni-Si +mp-1192140,Gd3(SiNi3)2,-8.5996151941,-0.6214494795000001,0.0,-0.0270125532,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Gd-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Gd-Ni-Si +mp-1190689,GdSi3Ni8,-6.93413355,-0.5513694025,0.0,-0.0285975612,GGA,C2/c,AB8C3_mC48_15_e_ae3f_cf:Gd-Ni-Si,24.0,AB8C3_mC48_15_e_ce3f_af:Gd-Ni-Si +mp-567422,GdNiBi,-8.58685252,-0.6879365033,0.0,-0.0628474511,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Gd-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Gd-Ni +mp-1225143,Gd(SiNi5)2,-6.7517204754,-0.3880185446,0.0195777047,0.0195777047,GGA,Immm,AB10C2_oI26_71_a_efgk_h:Gd-Ni-Si,13.0,AB10C2_oI26_71_a_efgk_h:Gd-Ni-Si +mp-1213412,Gd4Si2Ni2Bi,-9.9561520247,-0.7832756347000001,0.0,-0.0766061406,GGA,Pnma,AB4C2D2_oP36_62_c_4c_2c_2c:Bi-Gd-Ni-Si,36.0,AB4C2D2_oP36_62_c_4c_2c_2c:Bi-Gd-Ni-Si +mp-1079677,GdSi2Ni,-8.4982179725,-0.8214942275,0.0,-0.1103332487,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Gd-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Gd-Ni-Si +mp-20956,Gd(SiNi)2,-8.108486664,-0.8110803320000001,0.0,-0.0874343873,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Ni-Si +mp-1229046,AlIn(CuSe2)2,-4.3449792612,-0.7600644099,0.0050006988,0.0050006988,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-In-Se,8.0,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-In-Se +mp-1229179,AlIn3(CuSe2)4,-4.2338291944,-0.7110325993000001,0.005806415,0.005806415,GGA,P1,AB4C3D8_aP16_1_a_4a_3a_8a:Al-Cu-In-Se,16.0,AB4C3D8_aP16_1_a_4a_3a_8a:Al-Cu-In-Se +mp-1345578,AlIn3(CuSe2)4,-3.2277841587,0.2950124363,1.0118514506,1.0118514506,GGA,P1,AB4C3D8_aP16_1_a_4a_3a_8a:Al-Cu-In-Se,16.0,AB4C3D8_aP16_1_a_4a_3a_8a:Al-Cu-In-Se +mp-1111262,Li2ScCuCl6,-4.284698565,-1.7506244182,0.2731035615,0.2731035615,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Li-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Li-Sc +mp-1113739,Na2LiNdCl6,-4.253453158,-2.2121190734,0.1582897545,0.1582897545,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Nd,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Nd +mp-1113503,Na3NdCl6,-4.176990667,-2.1942963397,0.170650947,0.170650947,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Nd,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Nd +mp-674645,Na3Nd5Cl15,-4.7797524728,-2.3651279971,0.0968195273,0.0968195273,GGA,P-1,A15B3C5_aP46_2_15i_3i_5i:Cl-Na-Nd,46.0,"Invalid WP multiplicities - A15B3C5_aP46_2_28i_4i_8i:Cl-Na-Nd, expected NaNd2Cl7 to be Na3Nd5Cl15" +mp-675555,Na3Nd5Cl18,-4.9346939896,-2.5853873387,0.0152498327,0.0152498327,GGA,P-6,A18B3C5_hP26_174_jk2l_ai_dgh:Cl-Na-Nd,26.0,"Invalid WP multiplicities - A18B3C5_hP26_174_3j3k6l_ai_dgh:Cl-Na-Nd, expected Na3Nd5Cl54 to be Na3Nd5Cl18" +mp-1111532,Na2ScCuCl6,-4.299471729,-1.8826770968,0.1319627818,0.1319627818,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sc +mp-567301,YbHg6As4Br7,-2.5722042562,-0.7461285674,0.0805480293,0.0805480293,GGA,Pa-3,A4B7C6D_cP72_205_2c_ad_d_b:As-Br-Hg-Yb,,"Invalid WP multiplicities - A4B7C6D_cP72_205_6c_3a4d_d_b:As-Br-Hg-Yb, expected YbHg6(As4Br9)3 to be YbHg6As4Br7" +mp-568386,Ag10Te4Br3,-3.0651408979,-0.3852662746,0.0020813435,-0.0043548704,GGA,Cmc2_1,A10B3C4_oC136_36_2a9b_3b_4a2b:Ag-Br-Te,68.0,"Invalid WP multiplicities - A10B3C4_oC136_36_4a34b_11b_8a5b:Ag-Br-Te, expected Ag36Te9Br11 to be Ag10Te4Br3" +mp-568392,Ag10Te4Br3,-3.0672222415,-0.3873476181,0.0,-0.0064362139,GGA,Cmcm,A10B3C4_oC136_63_2cg4h_deg_2f2g:Ag-Br-Te,68.0,"Invalid WP multiplicities - A10B3C4_oC136_63_4c4g28h_3d3e4g_7f7g:Ag-Br-Te, expected Ag31Te7Br5 to be Ag10Te4Br3" +mp-676260,Ag9Te4Br3,-3.0134673881,-0.343135351,0.0591306771,0.0591306771,GGA,P1,A9B3C4_aP16_1_9a_3a_4a:Ag-Br-Te,16.0,A9B3C4_aP16_1_9a_3a_4a:Ag-Br-Te +mp-1229222,Ag10Te4BrCl,-3.1112005919,-0.3424288046,0.0011830102,0.0011830102,GGA,P2_1/c,A10BCD4_mP64_14_10e_e_e_4e:Ag-Br-Cl-Te,64.0,A10BCD4_mP64_14_10e_e_e_4e:Ag-Br-Cl-Te +mp-1215016,Ag5Te2Br,-3.0780444563,-0.3277419396,0.0,-0.0027404967,GGA,Pnma,A5BC2_oP64_62_2c4d_d_2cd:Ag-Br-Te,64.0,"Invalid WP multiplicities - A5BC2_oP64_62_2c7d_d_2cd:Ag-Br-Te, expected Ag8Te2Br to be Ag5Te2Br" +mp-1096304,CsNa2Sb,-1.3019298875,0.6154336622000001,1.05050679,1.05050679,GGA,Immm,AB2C_oI8_71_a_e_b:Cs-Na-Sb,4.0,AB2C_oI8_71_a_e_b:Cs-Na-Sb +mp-1111701,Na3SbBr6,-3.144022685,-1.402547975,0.1580805548,0.1580805548,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Na-Sb,10.0,A6B3C_cF40_225_e_ac_b:Br-Na-Sb +mp-1112142,Cs2NaSbBr6,-3.349431953,-1.6933818272,0.0130720555,0.0130720555,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Sb +mp-1110804,Rb2AgSbBr6,-3.241743564,-1.4176640272,0.0206137021,0.0206137021,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Sb +mp-1207270,Tl2CuTe2,-2.822883836,0.199337114,0.5903548863,0.5903548863,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Cu-Te-Tl,5.0,AB2C2_tI10_139_a_e_d:Cu-Te-Tl +mp-34765,Tl4CuTe3,-3.082087545,-0.2096254279,0.2000903656,0.2000903656,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Cu-Te-Tl,16.0,"Invalid WP multiplicities - AB3C4_tI32_140_c_2ah_l:Cu-Te-Tl, expected Tl4CuTe4 to be Tl4CuTe3" +mp-3708,Tl(FeTe)3,-5.6258401193,-0.3111794826,0.0307919858,0.0307919858,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Fe-Te-Tl,14.0,A3B3C_hP14_176_h_h_c:Fe-Te-Tl +mp-569204,Tl(CuTe)2,-3.69744067,-0.3279070153,0.0,-0.0275143671,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Te-Tl,5.0,A2B2C_tI10_139_d_e_a:Cu-Te-Tl +mp-1217029,TlCu3Te2,-3.7065729852,-0.2154271613,0.0578286848,0.0578286848,GGA,Pc,A3B2C_mP48_7_12a_8a_4a:Cu-Te-Tl,48.0,A3B2C_mP48_7_12a_8a_4a:Cu-Te-Tl +mp-1216651,Tl2FeCu3Te4,-4.099381636,-0.2927665273,0.0433101664,0.0433101664,GGA,C222,A3BC4D2_oC20_21_abc_d_l_k:Cu-Fe-Te-Tl,10.0,A3BC4D2_oC20_21_abc_d_l_k:Cu-Fe-Te-Tl +mp-1216768,Tl2FeCu3Te4,-4.088839251,-0.2822241423,0.0538525514,0.0538525514,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Cu-Fe-Te-Tl,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Cu-Fe-Te-Tl, expected Tl2FeCu3Te8 to be Tl2FeCu3Te4" +mp-631257,AsSeBr,-3.04097773,0.1950416742,0.8296109456,0.8296109456,GGA,F-43m,ABC_cF12_216_a_b_c:As-Br-Se,3.0,ABC_cF12_216_a_b_c:As-Br-Se +mp-567949,Hg3AsSe4Br,-2.8697160528000003,-0.5245123038,0.0,-0.0043462047,GGA,P6_3mc,ABC3D4_hP18_186_a_b_c_bc:As-Br-Hg-Se,18.0,"Invalid WP multiplicities - ABC3D4_hP18_186_a_b_c_2b3c:As-Br-Hg-Se, expected Hg3AsSe11Br to be Hg3AsSe4Br" +mp-1229187,Ag4Sn2(HgSe3)3,-3.3305632122,-0.4570292057,0.0171474939,0.0171474939,GGA,P1,A4B3C9D2_aP18_1_4a_3a_9a_2a:Ag-Hg-Se-Sn,18.0,A4B3C9D2_aP18_1_4a_3a_9a_2a:Ag-Hg-Se-Sn +mp-10963,Ag2SnHgSe4,-3.4734823381,-0.478231071,0.0,-0.0104498647,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Ag-Hg-Se-Sn,16.0,A2BC4D_oP16_31_b_a_2ab_a:Ag-Hg-Se-Sn +mp-1221670,MnCdHgTe3,-3.7515109267,-0.4484270772,0.0041116967,0.0041116967,GGA,Cm,ABCD3_mC12_8_a_a_a_3a:Cd-Hg-Mn-Te,,ABCD3_mC12_8_a_a_a_3a:Cd-Hg-Mn-Te +mp-1221798,Mn3CdTe4,-5.4175197763,-0.2947498751,0.1014849434,0.1014849434,GGA,P4/mmm,AB3C4_tP8_123_a_bh_cdg:Cd-Mn-Te,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2h_cd2g:Cd-Mn-Te, expected Mn5CdTe6 to be Mn3CdTe4" +mp-1221743,Mn3CdTe4,-5.4860392912,-0.3632693901,0.0329654284,0.0329654284,GGA,R3m,AB3C4_hR24_160_a_3a_4a:Cd-Mn-Te,8.0,AB3C4_hR24_160_a_3a_4a:Cd-Mn-Te +mp-1221591,MnHg2Te3,-3.5464477817,-0.346565498,0.0075384239,0.0075384239,GGA,P3m1,A2BC3_hP6_156_ab_c_abc:Hg-Mn-Te,6.0,A2BC3_hP6_156_ab_c_abc:Hg-Mn-Te +mp-1221733,MnCd4Te5,-3.457500424,-0.6004900441000001,0.0,-0.002762911,GGA,I-4,A4BC5_tI20_82_g_a_cg:Cd-Mn-Te,10.0,"Invalid WP multiplicities - A4BC5_tI20_82_g_a_c2g:Cd-Mn-Te, expected MnCd4Te9 to be MnCd4Te5" +mp-1232380,MnCdTe2,-4.3837577788,-0.2908785691,0.1981995338,0.1981995338,GGA,I-42d,ABC2_tI16_122_a_b_d:Cd-Mn-Te,8.0,ABC2_tI16_122_a_b_d:Cd-Mn-Te +mp-1221676,MnCdTe2,-4.4384804025,-0.3456011928,0.14347691,0.14347691,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Mn-Te,4.0,ABC2_tP4_123_a_d_bc:Cd-Mn-Te +mp-1221650,MnCdTe2,-4.5694725725000005,-0.4765933628,0.01248474,0.01248474,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Mn-Te,4.0,ABC2_hR12_160_a_a_2a:Cd-Mn-Te +mp-1226794,CdHg4Te5,-2.047937321,-0.2625232523,0.174906569,0.174906569,GGA,Immm,AB4C5_oI20_71_a_2e_c2f:Cd-Hg-Te,10.0,"Invalid WP multiplicities - AB4C5_oI20_71_a_3e_c4f:Cd-Hg-Te, expected Cd(Hg2Te3)3 to be CdHg4Te5" +mp-1246872,Cd(HgTe2)2,-2.2403659171,-0.2255839081,0.1824814848,0.1824814848,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Cd-Hg-Te,7.0,AB2C4_tP7_115_c_g_abg:Cd-Hg-Te +mp-1221667,MnCd3Te4,-3.6428202737,-0.5798317556,0.0020896317,0.0020896317,GGA,Pmm2,A3BC4_oP8_25_af_c_bde:Cd-Mn-Te,8.0,"Invalid WP multiplicities - A3BC4_oP8_25_a2f_c_bd2e:Cd-Mn-Te, expected MnCd5Te6 to be MnCd3Te4" +mp-1221664,MnCd2Te3,-3.94750921,-0.5412237947,0.0097498311,0.0097498311,GGA,P3m1,A2BC3_hP6_156_ab_c_abc:Cd-Mn-Te,6.0,A2BC3_hP6_156_ab_c_abc:Cd-Mn-Te +mp-1232389,MnCdTe,-4.38055427,0.0288493785,0.4750551407,0.4750551407,GGA,Cc,ABC_mC12_9_a_a_a:Cd-Mn-Te,6.0,ABC_oI12_46_b_a_b:Cd-Mn-Te +mp-1237723,MnCdTe,-4.3987064933,0.0106971551,0.4569029174,0.4569029174,GGA,Ima2,ABC_oI12_46_b_a_b:Cd-Mn-Te,6.0,ABC_oI12_46_b_a_b:Cd-Mn-Te +mp-1221890,Mn2CdTe3,-5.1170879883,-0.3376149843,0.0895675956,0.0895675956,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Cd-Mn-Te,6.0,AB2C3_hP6_164_a_d_bd:Cd-Mn-Te +mp-1226741,CdHgTe2,-2.39378685,-0.5154913721000001,0.0088930075,0.0088930075,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Hg-Te,4.0,ABC2_hR12_160_a_a_2a:Cd-Hg-Te +mp-1120716,CdHg3Te4,-2.2489117175,-0.448017414,0.0039048338,0.0039048338,GGA,P-43m,AB3C4_cP8_215_a_c_e:Cd-Hg-Te,8.0,AB3C4_cP8_215_a_c_e:Cd-Hg-Te +mp-29083,NaErCl4,-4.7493644,-2.5352992761,0.0,-0.0344020958,GGA,P2/c,A4BC_mP12_13_2g_e_f:Cl-Er-Na,12.0,"Invalid WP multiplicities - A4BC_mP12_13_3g_e_f:Cl-Er-Na, expected NaErCl6 to be NaErCl4" +mp-28542,Na3ErCl6,-4.3290294185,-2.3663779535,0.0,-0.0013517565,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Cl-Er-Na,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_9e_a_be:Cl-Er-Na, expected Na3ErCl18 to be Na3ErCl6" +mp-1111896,Na3ErCl6,-4.19657314,-2.233921675,0.1324562785,0.131104522,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Er-Na,10.0,A6BC3_cF40_225_e_a_bc:Cl-Er-Na +mp-1114024,Rb2NaErCl6,-4.361203543,-2.4669503222,0.0,-0.0060108305,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Na-Rb +mp-998748,TlAgCl3,-3.162428853,-1.014267027,0.016439926,0.016439926,GGA,R3c,AB3C_hR30_161_a_b_a:Ag-Cl-Tl,10.0,AB3C_hR30_161_a_b_a:Ag-Cl-Tl +mp-1111629,Rb2TlAgCl6,-3.373486053,-1.5487373275,0.0,-0.0068100376,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Tl +mp-1112907,Cs2HgAsCl6,-3.310121458,-1.5256391106,0.064926508,0.064926508,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Hg +mp-23214,CaCl2,-4.7042707983,-2.8033797317,0.0001182117,-2.8033797317,GGA,Pnnm,AB2_oP6_58_a_g:Ca-Cl,6.0,AB2_oP6_58_a_g:Ca-Cl +mp-571642,CaCl2,-4.7032898483,-2.8023987817,0.0010991617,-2.8023987817,GGA,Pbcn,AB2_oP12_60_c_d:Ca-Cl,12.0,AB2_oP12_60_c_d:Ca-Cl +mp-571627,CaCl2,-4.6017295875,-2.7008385208,0.1026594225,-2.7008385208,GGA,Pnma,AB2_oP12_62_c_2c:Ca-Cl,12.0,AB2_oP12_62_c_2c:Ca-Cl +mp-22904,CaCl2,-4.70438901,-2.8034979433,0.0,-2.8034979433,GGA,P4_2/mnm,AB2_tP6_136_a_f:Ca-Cl,6.0,AB2_tP6_136_a_f:Ca-Cl +mp-1120739,CaCl2,-4.65003313,-2.7491420633,0.05435588,-2.7491420633,GGA,Fm-3m,AB2_cF12_225_a_c:Ca-Cl,3.0,AB2_cF12_225_a_c:Ca-Cl +mp-608555,Cs2SnCl6,-3.7991938367,-1.9223497745,0.0,-0.1272615578,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Sn,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Sn +mp-27394,CsSnCl3,-3.901619568,-1.8115027266,0.0,-0.0280112415,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Cs-Sn,20.0,A3BC_mP20_14_3e_e_e:Cl-Cs-Sn +mp-1070375,CsSnCl3,-3.897720968,-1.8076041266,0.0038986,-0.0241126415,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Sn,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Sn +mp-989570,Cs2CaSnCl6,-4.100769589,-2.2110499451,0.015876134,0.015876134,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ca-Cl-Cs-Sn,10.0,AB6C2D_cF40_225_a_e_c_b:Ca-Cl-Cs-Sn +mp-30164,CsSn2Cl5,-3.9352804981,-1.6656268254,0.0,-0.0075897203,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Cl-Cs-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:Cl-Cs-Sn, expected CsSn2Cl9 to be CsSn2Cl5" +mp-1096927,CsCaCl3,-4.331380388,-2.6420579416,0.00029149,-0.0154126867,GGA,P4mm,AB3C_tP5_99_a_ac_b:Ca-Cl-Cs,5.0,AB3C_cP5_221_b_c_a:Ca-Cl-Cs +mp-1206863,CsCaCl3,-4.331365133,-2.6420426866,0.000306745,-0.0153974317,GGA,I4/mcm,AB3C_tI20_140_c_ah_b:Ca-Cl-Cs,10.0,AB3C_tI20_140_c_ah_b:Ca-Cl-Cs +mp-1097916,CsCaCl3,-4.331671878,-2.6423494316,0.0,-0.0157041767,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-Cl-Cs,5.0,AB3C_cP5_221_b_c_a:Ca-Cl-Cs +mp-1213703,Cs3Ca2Cl7,-4.2188623742,-2.5824320828,0.0,-0.0007554317,GGA,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Ca-Cl-Cs,12.0,A2B7C3_tI24_139_e_aeg_be:Ca-Cl-Cs +mp-1025185,Cs2CaCl4,-4.1369891314,-2.5383389508,0.0,-0.002690005,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Ca-Cl-Cs,7.0,AB4C2_tI14_139_a_ce_e:Ca-Cl-Cs +mp-1187239,SrGd3,-10.8091256875,0.1703393558,0.1703393558,0.1703393558,GGA,I4/mmm,A3B_tI8_139_ad_b:Gd-Sr,4.0,A3B_tI8_139_ad_b:Gd-Sr +mp-1190889,SrGdCuSe3,-6.8527850396000005,-1.7940255735,0.0,-0.0459327958,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Gd-Se-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Gd-Se-Sr +mp-34770,Sr(GdSe2)2,-8.4478482907,-2.1870791701,0.0243026646,0.0243026646,GGA,I-42d,A2B4C_tI28_122_d_e_a:Gd-Se-Sr,14.0,A2B4C_tI28_122_d_e_a:Gd-Se-Sr +mp-608490,NaHgCl3,-2.8289191385,-1.3945560108,0.055224329,0.055224329,GGA,Pnma,A3BC_oP20_62_3c_c_c:Cl-Hg-Na,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:Cl-Hg-Na, expected NaHgCl9 to be NaHgCl3" +mp-1111068,Na2HgAsCl6,-3.122069379,-1.2521624473,0.2327606383,0.2327606383,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-Na +mp-1226198,Co4Cu3(NiSe6)2,-5.0848706074,-0.5971514511,0.0,-0.067858577,GGA,C2/m,A4B3C2D12_mC84_12_eij_3i_adi_6i3j:Co-Cu-Ni-Se,42.0,"Invalid WP multiplicities - A4B3C2D12_mC84_12_2ei2j_5i_aci_12i12j:Co-Cu-Ni-Se, expected Co7Cu5(NiSe18)2 to be Co4Cu3(NiSe6)2" +mp-662599,Ag3AsSe3,-3.6861774825,-0.3083887899,0.0,-0.02068818,GGA,Pnma,A3BC3_oP84_62_c4d_3c_3c3d:Ag-As-Se,84.0,"Invalid WP multiplicities - A3BC3_oP84_62_4c26d_10c_11c15d:Ag-As-Se, expected Ag56As10Se41 to be Ag3AsSe3" +mp-5145,Ag3AsSe3,-3.6745542321,-0.2967655396,0.0116232504,-0.0090649296,GGA,R3c,A3BC3_hR42_161_b_a_b:Ag-As-Se,14.0,A3BC3_hR42_161_b_a_b:Ag-As-Se +mp-570593,RbAg2(AsSe2)3,-3.9979412554,-0.5314020754000001,0.0,-0.0058131277,GGA,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:Ag-As-Rb-Se,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_5e_10e_e_18e:Ag-As-Rb-Se, expected RbAg5(As5Se9)2 to be RbAg2(AsSe2)3" +mp-541916,Rb2Ag(AsSe2)3,-4.016229191,-0.7040251719,0.0,-0.0112298435,GGA,P2_1/c,AB3C2D6_mP48_14_e_3e_2e_6e:Ag-As-Rb-Se,48.0,AB3C2D6_mP48_14_e_3e_2e_6e:Ag-As-Rb-Se +mp-4483,AgAsSe2,-3.92747242,-0.3065980791,0.0405546444,0.0405546444,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-As-Se,4.0,ABC2_hR12_166_a_b_c:Ag-As-Se +mp-1200563,Ag7AsSe6,-3.5265577412,-0.2792377917,0.0,-0.0053861631,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Ag-As-Se,56.0,A7BC6_cP56_198_a2b_a_3ab:Ag-As-Se +mp-1215094,Ag(AsSe2)3,-2.683655739,1.0948822694,1.4661887215,1.4661887215,GGA,Cmmm,AB3C6_oC20_65_a_de_kp:Ag-As-Se,10.0,AB3C6_oC20_65_a_de_kp:Ag-As-Se +mp-985442,AgAsSe,-3.8886001333,-0.2260715047,0.0137864431,0.0137864431,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-As-Se,12.0,ABC_oP12_62_c_c_c:Ag-As-Se +mp-582126,LaNi5As3,-5.9025673993000005,-0.5898956526,0.0,-0.0115391816,GGA,Pnma,A3BC5_oP72_62_6c_2c_10c:As-La-Ni,72.0,"Invalid WP multiplicities - A3BC5_oP72_62_22c_4c_36c:As-La-Ni, expected La2Ni18As11 to be LaNi5As3" +mp-20044,La(NiAs)2,-6.035649282,-0.872745827,0.0,-0.0611109007,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-La-Ni,10.0,"Invalid WP multiplicities - A2BC2_tP10_129_2a2c_c_2b2c:As-La-Ni, expected La(NiAs)4 to be La(NiAs)2" +mp-5982,La(NiAs)2,-6.00119713,-0.8382936750000001,0.034452152,-0.0266587487,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-La-Ni,5.0,A2BC2_tI10_139_e_a_d:As-La-Ni +mp-1206700,LaNiAs,-5.99379994,-0.8687125433,0.2029391417,0.1737443433,GGA,P-6m2,ABC_hP3_187_a_d_e:As-La-Ni,3.0,ABC_hP3_187_a_d_e:As-La-Ni +mp-1211387,LaNiAs,-6.1967390817,-1.071651685,0.0,-0.0291947983,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-La-Ni,12.0,ABC_hP12_194_f_ab_f:As-La-Ni +mp-1212204,La6Ni20As13,-5.9658578728,-0.6892600396,0.0063221796,0.0063221796,GGA,P-6,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-La-Ni,39.0,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-La-Ni +mp-1223533,La4Zr8Ni15As16,-6.7163243486,-0.9169388105,0.0,-0.0210745037,GGA,Pm,A16B4C15D8_mP43_6_8a8b_2a2b_7a8b_4a4b:As-La-Ni-Zr,43.0,A16B4C15D8_mP43_6_8a8b_2a2b_7a8b_4a4b:As-La-Ni-Zr +mp-1224070,HgBrCl,-2.1796465142,-0.9445647292,0.0,-0.0180066201,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:Br-Cl-Hg,12.0,ABC_oP12_19_a_a_a:Br-Cl-Hg +mp-1224010,HgBrCl,-2.1719650892,-0.9368833042,0.007681425,-0.0103251951,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Cl-Hg,12.0,ABC_oP12_62_c_c_c:Br-Cl-Hg +mp-1228835,CsHgBr2Cl,-2.641546334,-1.4108111226,0.0444759824,0.0444759824,GGA,P4/mmm,A2BCD_tP5_123_e_a_c_b:Br-Cl-Cs-Hg,5.0,A2BCD_tP5_123_e_a_c_b:Br-Cl-Cs-Hg +mp-1228820,CsHgBrCl2,-2.75468025,-1.4648433726,0.0415692812,0.0415692812,GGA,P4/mmm,AB2CD_tP5_123_a_e_c_b:Br-Cl-Cs-Hg,5.0,AB2CD_tP5_123_a_e_c_b:Br-Cl-Cs-Hg +mp-1189339,Ba2InSbSe5,-4.5645668867,-1.4314344157,0.0,-0.0022537671,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Sb-Se,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Sb-Se +mp-1212011,InSbSe3,-4.1367989175,-0.6631150369000001,0.0071787018,0.0071787018,GGA,Pnma,ABC3_oP20_62_c_c_3c:In-Sb-Se,20.0,ABC3_oP20_62_c_c_3c:In-Sb-Se +mp-1188123,Yb2In5Au3,-3.141182965,-0.475254844,0.0366949878,0.0366949878,GGA,Cmc2_1,A3B5C2_oC40_36_3a_5a_2a:Au-In-Yb,,A3B5C2_oC40_36_3a_5a_2a:Au-In-Yb +mp-1205889,Yb2InAu2,-3.299017669,-0.8232848110000001,0.0,-0.0010675463,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Yb,,A2BC2_tP10_127_g_a_h:Au-In-Yb +mp-1104570,Yb(In2Au)2,-3.1373189407,-0.4095893407,0.0076038871,0.0076038871,GGA,P2_1/m,A2B4C_mP14_11_2e_4e_e:Au-In-Yb,,A2B4C_mP14_11_2e_4e_e:Au-In-Yb +mp-570912,YbInAu,-3.2547732444,-0.7330485744,0.0,-0.0274208789,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Yb,,ABC_hP9_189_ad_g_f:Au-In-Yb +mp-1187891,Yb2GeAu,-3.5417705575,-0.7977389537,0.0043627051,0.0043627051,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Ge-Yb,,ABC2_cF16_225_a_b_c:Au-Ge-Yb +mp-1215781,Yb4Ge3Au5,-3.8519031792,-0.8188259554,0.0,-0.0002527669,GGA,Cm,A5B3C4_mC24_8_5a_3a_4a:Au-Ge-Yb,,A5B3C4_mC24_8_5a_3a_4a:Au-Ge-Yb +mp-568537,YbInAu2,-3.40324214,-0.6934781375,0.0,-0.0474233631,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Yb,,A2BC_cF16_225_c_a_b:Au-In-Yb +mp-981207,Yb3In3Ge2Au,-3.44283938,-0.62130452,0.0,-0.0284679633,GGA,P-62m,AB2C3D3_hP9_189_a_d_g_f:Au-Ge-In-Yb,,AB2C3D3_hP9_189_a_d_g_f:Au-Ge-In-Yb +mp-20746,YbIn2Au,-3.1377707362,-0.5585563012,0.0,-0.0087698704,GGA,Cmcm,AB2C_oC16_63_c_f_c:Au-In-Yb,,AB2C_oC16_63_c_f_c:Au-In-Yb +mp-1215621,YbGeAu,-3.9123039117,-0.7667978667,0.0542228192,-0.0096602544,GGA,C2/m,ABC_mC12_12_i_i_i:Au-Ge-Yb,,ABC_mC12_12_i_i_i:Au-Ge-Yb +mp-570711,YbGeAu,-3.9665267308,-0.8210206858,0.0,-0.0638830735,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Au-Ge-Yb,,"Invalid WP multiplicities - ABC_oP36_62_7c_10c_10c:Au-Ge-Yb, expected Yb10Ge10Au7 to be YbGeAu" +mp-1215498,YbGeAu,-3.9367866967,-0.7912806517000001,0.0297400342,-0.0341430394,GGA,P-6m2,ABC_hP3_187_a_c_f:Au-Ge-Yb,,ABC_hP3_187_a_c_f:Au-Ge-Yb +mp-1216985,Tm2Mn12GaGe11,-6.9599933504,-0.3147142435,0.00224927,0.00224927,GGA,P6mm,AB11C12D2_hP26_183_a_3a4b_4c_2a:Ga-Ge-Mn-Tm,26.0,"Invalid WP multiplicities - AB11C12D2_hP26_183_a_3a7b_12c_2a:Ga-Ge-Mn-Tm, expected Tm2Mn36GaGe17 to be Tm2Mn12GaGe11" +mp-1216795,TmMn6GaGe5,-6.8837402315,-0.2998046567,0.0099452754,0.0099452754,GGA,P6mm,AB5C6D_hP13_183_a_a2b_2c_a:Ga-Ge-Mn-Tm,13.0,AB5C6D_hP13_183_a_a2b_2c_a:Ga-Ge-Mn-Tm +mp-5641,Tm(MnGe)6,-7.0307997338,-0.3241770949,0.0,-0.0684935969,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Tm,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_cd2e_i_a:Ge-Mn-Tm, expected Tm(Mn3Ge4)2 to be Tm(MnGe)6" +mp-20114,TmMnGe,-6.5901425383,-0.5031830149000001,0.0560648224,0.0560648224,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Tm,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Tm +mp-11615,TmMnGe,-6.6074614489,-0.5205019254000001,0.0387459118,0.0387459118,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Mn-Tm,9.0,ABC_hP9_189_ad_g_f:Ge-Mn-Tm +mp-3985,Tm(MnGe)2,-6.877544972,-0.4683606285,0.0,-0.0313495773,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Tm,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Tm +mp-1216665,Tm3Ga2Ge3,-4.8526944781,-0.6835967431000001,0.0,-0.0011364094,GGA,I4cm,A2B3C3_tI32_108_c_ac_ac:Ga-Ge-Tm,16.0,A2B3C3_tI32_108_c_ac_ac:Ga-Ge-Tm +mp-984761,CsRb2Sb,-2.1251191225,-0.3787511832,0.0026070792,0.0026070792,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cs-Rb-Sb,4.0,AB2C_cF16_225_a_c_b:Cs-Rb-Sb +mp-1095809,Cs2RbSb,-1.21118188,0.5139031342,0.8809447796000001,0.8809447796000001,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-Rb-Sb,4.0,A2BC_oI8_71_e_a_b:Cs-Rb-Sb +mp-1112121,Cs2RbSbBr6,-3.32758953,-1.7057385263,0.0374986765,0.0374986765,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Sb +mp-34472,Na(Nd2Se3)4,-5.9827021064,-2.1056238928,0.0016910924,0.0016910924,GGA,I-42d,AB8C12_tI84_122_a_cde_3e:Na-Nd-Se,42.0,"Invalid WP multiplicities - AB8C12_tI84_122_a_4c4d5e_15e:Na-Nd-Se, expected Na(Nd3Se5)12 to be Na(Nd2Se3)4" +mp-999471,NaNdSe2,-5.184175045,-1.9135511247,0.0,-0.1035505602,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Nd-Se,4.0,ABC2_hR12_166_a_b_c:Na-Nd-Se +mp-1220968,NaNd2Se3,-5.5220090467,-1.9642499481,0.000220795,0.000220795,GGA,Immm,AB2C3_oI12_71_a_e_cf:Na-Nd-Se,6.0,"Invalid WP multiplicities - AB2C3_oI12_71_a_e_c2f:Na-Nd-Se, expected NaNd2Se5 to be NaNd2Se3" +mp-570876,NaNd(GaSe2)4,-4.4798699527,-1.1819879072,0.0,-0.0005161996,GGA,Fddd,A4BCD8_oF224_70_2h_e_ab_4h:Ga-Na-Nd-Se,56.0,"Invalid WP multiplicities - A4BCD8_oF224_70_12h_e_ab_28h:Ga-Na-Nd-Se, expected NaNd(Ga3Se7)8 to be NaNd(GaSe2)4" +mp-1112629,Cs2AlHgBr6,-3.091852893,-1.5760298011,0.1134949327,0.1134949327,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Hg +mp-11115,RbCuPdSe5,-4.1900775719,-0.7226800793,0.0,-0.0231027957,GGA,P2_1/m,ABCD5_mP16_11_e_a_e_3ef:Cu-Pd-Rb-Se,16.0,"Invalid WP multiplicities - ABCD5_mP16_11_e_a_e_4e3f:Cu-Pd-Rb-Se, expected RbCuPdSe10 to be RbCuPdSe5" +mp-31292,Rb2PdSe16,-3.9930956574,-0.6733307312,0.0,-0.2407243201,GGA,P-4b2,AB2C16_tP38_117_a_bc_4i:Pd-Rb-Se,38.0,"Invalid WP multiplicities - AB2C16_tP38_117_a_bc_5i:Pd-Rb-Se, expected Rb2PdSe20 to be Rb2PdSe16" +mp-1211418,Rb2Pd3Se2,-4.0483485464,-0.5494147564,0.2122227479,0.2122227479,GGA,Fddd,A3B2C2_oF112_70_ch_h_h:Pd-Rb-Se,28.0,A3B2C2_oF112_70_ch_h_h:Pd-Rb-Se +mp-1069771,Rb2PdSe2,-3.892847088,-1.0662925059,0.0,-0.0251675573,GGA,Immm,AB2C2_oI10_71_a_f_h:Pd-Rb-Se,5.0,AB2C2_oI10_71_a_f_h:Pd-Rb-Se +mp-683059,Rb2Pd3Se4,-4.4178670022,-0.9196048372,0.0107447111,-0.0779756394,GGA,P1,A3B2C4_aP18_1_6a_4a_8a:Pd-Rb-Se,18.0,A3B2C4_aP18_1_6a_4a_8a:Pd-Rb-Se +mp-14340,Rb2Pd3Se4,-4.4286117133000005,-0.9303495483,0.0,-0.0887203506,GGA,Fddd,A3B2C4_oF72_70_ae_e_h:Pd-Rb-Se,18.0,"Invalid WP multiplicities - A3B2C4_oF72_70_a2e_e_h:Pd-Rb-Se, expected Rb2Pd5Se4 to be Rb2Pd3Se4" +mp-1212900,Cu2Pd3Se4,-4.6393152528,-0.4480147327,0.0165604004,0.0165604004,GGA,P2_1/c,A2B3C4_mP18_14_e_ae_2e:Cu-Pd-Se,18.0,A2B3C4_mP18_14_e_ae_2e:Cu-Pd-Se +mp-1225144,EuCuSi3,-6.352213916,-0.225781404,0.133817633,0.133817633,GGA,I-4m2,ABC3_tI10_119_a_c_bf:Cu-Eu-Si,5.0,ABC3_tI10_119_a_c_bf:Cu-Eu-Si +mp-3557,Eu(CuGe)2,-5.975987112,-0.435692942,0.0,-0.1060217047,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Eu-Ge,5.0,A2BC2_tI10_139_d_a_e:Cu-Eu-Ge +mp-1225367,Eu2CuSi3,-7.239447395,-0.4245866683,0.0660939817,0.0660939817,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Cu-Eu-Si,6.0,AB2C3_hP6_187_a_i_bcd:Cu-Eu-Si +mp-1225406,Eu2Cu4Si3Ge,-6.214351003,-0.4333697805,0.0027189425,0.0027189425,GGA,P4mm,A4B2CD3_tP10_99_2c_ab_a_a2b:Cu-Eu-Ge-Si,10.0,"Invalid WP multiplicities - A4B2CD3_tP10_99_4c_ab_a_a2b:Cu-Eu-Ge-Si, expected Eu2Cu8Si3Ge to be Eu2Cu4Si3Ge" +mp-1198564,EuCuGe,-6.8124908006,-0.4860786922,0.0,-0.0088669572,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Cu-Eu-Ge,36.0,ABC_oP36_62_3c_3c_3c:Cu-Eu-Ge +mp-3412,Eu(CuSi)2,-6.29743089,-0.43622065,0.0,-0.1517901244,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Eu-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Eu-Si +mp-28334,Tl4SiSe4,-3.8799027403,-0.6732875706,0.0,-0.0427588149,GGA,C2/c,A4BC4_mC72_15_4f_f_ae3f:Se-Si-Tl,36.0,"Invalid WP multiplicities - A4BC4_mC72_15_8f_f_ae3f:Se-Si-Tl, expected Tl4SiSe8 to be Tl4SiSe4" +mp-14241,Tl2SiSe3,-4.1582164567,-0.7184933306,0.0,-0.022108919,GGA,P-1,A3BC2_aP12_2_3i_i_2i:Se-Si-Tl,12.0,A3BC2_aP12_2_3i_i_2i:Se-Si-Tl +mp-1079426,Tl2SiHgSe4,-3.6826569475,-0.6279156226,0.0213898075,0.0213898075,GGA,I-42m,AB4CD2_tI16_121_a_i_b_c:Hg-Se-Si-Tl,8.0,AB4CD2_tI16_121_a_i_b_c:Hg-Se-Si-Tl +mp-18230,Si(Hg2Se3)2,-3.0238041968,-0.5133034372,0.0167837114,0.0167837114,GGA,Cc,A4B6C_mC44_9_4a_6a_a:Hg-Se-Si,22.0,A4B6C_mC44_9_4a_6a_a:Hg-Se-Si +mp-4014,Pr(CuSi)2,-5.3223668,-0.5563757690000001,0.0,-0.1940701648,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Pr-Si +mp-1219959,PrCuSi,-5.32364551,-0.5551686917,0.0210146933,-0.0397960967,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Pr-Si,3.0,ABC_hP3_187_a_d_e:Cu-Pr-Si +mp-8119,PrCuSi,-5.3446602033,-0.576183385,0.0,-0.06081079,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Pr-Si,6.0,ABC_hP6_194_c_a_d:Cu-Pr-Si +mp-568801,Pr3CuSiSe7,-5.6672876029,-1.6390690772,0.0,-0.0521312559,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Pr-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b11c_b:Cu-Pr-Se-Si, expected Pr3CuSiSe35 to be Pr3CuSiSe7" +mp-1219066,SmCuSi,-5.3365332,-0.5888295883,0.0291227933,-0.0395181471,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-Sm,3.0,ABC_hP3_187_a_c_f:Cu-Si-Sm +mp-8121,SmCuSi,-5.3656559933,-0.6179523817,0.0,-0.0686409404,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Sm,6.0,ABC_hP6_194_c_d_a:Cu-Si-Sm +mp-3997,Sm(CuSi)2,-5.326725068,-0.5731979610000001,0.0,-0.1873640663,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Sm +mp-570045,Sm3CuSiSe7,-5.6317688567,-1.6191302360000002,0.0,-0.0332584317,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Si-Sm,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b8c_b_c:Cu-Se-Si-Sm, expected Sm3CuSiSe26 to be Sm3CuSiSe7" +mp-1110683,Rb2LiCeCl6,-4.513835452,-2.4244054393,0.0272561848,0.0272561848,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Li-Rb +mp-1113610,Cs2DyAgCl6,-4.250128037,-2.2179912823,0.0,-0.0093709633,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Dy,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Dy +mp-1111726,Rb2ScAgBr6,-3.89533864,-1.8509123167,0.0219086158,0.0219086158,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Sc +mp-1113288,Rb2ErCuCl6,-4.310474642,-2.1385532835,0.0379843665,0.0379843665,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-Rb +mp-1110704,Rb2NaCeCl6,-4.453164388,-2.4223741327,0.0238259503,0.0238259503,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Na-Rb +mp-1111734,Rb2AgAuBr6,-2.965353244,-1.2267856312,0.0321287356,0.0321287356,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Rb +mp-1112567,Cs2NaTmCl6,-4.373480221,-2.5054416789,0.0,-0.0004896072,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tm +mp-1221216,Na4Eu2GeAs4,-5.1145621832,-0.6542343424,0.0072163934,0.0072163934,GGA,Cc,A4B2CD4_mC44_9_4a_2a_a_4a:As-Eu-Ge-Na,22.0,"Invalid WP multiplicities - A4B2CD4_mC44_9_7a_4a_a_7a:As-Eu-Ge-Na, expected Na7Eu4GeAs7 to be Na4Eu2GeAs4" +mp-1200526,Eu3(GeAs2)2,-7.3386814775,-0.8216220631000001,0.0,-0.0259067447,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:As-Eu-Ge,36.0,A4B3C2_mP36_14_4e_3e_2e:As-Eu-Ge +mp-1113967,Rb2NaAsCl6,-3.698546141,-1.7951529607,0.0,-0.0042645808,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Na-Rb +mp-1095880,CsTl2Bi,-1.859897465,0.5053969839,0.6994938643,0.6994938643,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cs-Tl,4.0,ABC2_oI8_71_a_b_e:Bi-Cs-Tl +mp-1112498,Cs2TlBiBr6,-3.339709651,-1.6084989509,0.006913883,0.006913883,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Tl +mp-975275,RbNa2Sb,-2.3741778675000003,-0.4355313927,0.0138583521,0.0138583521,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Na-Rb-Sb,4.0,A2BC_cF16_225_c_a_b:Na-Rb-Sb +mp-1110700,Rb2NaSbBr6,-3.319835317,-1.6467588512,0.0313784158,0.0313784158,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Sb +mp-1078405,Ba2ThCu2Se5,-5.36443452,-1.6714566342,0.0,-0.063967638,GGA,C2/m,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-Se-Th,10.0,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-Se-Th +mp-1095255,Ba3ThSe7,-5.3602655591,-1.9382507033,0.0,-0.0161695318,GGA,Imm2,A3B7C_oI22_44_ac_a2cd_b:Ba-Se-Th,11.0,A3B7C_oI22_44_ac_a2cd_b:Ba-Se-Th +mp-1181468,Cu3NiHgSe4,-3.9149404633,-0.3188201338,0.0779972275,0.0779972275,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-Ni-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-Ni-Se +mp-1225599,ErCoNi,-6.1592654683,-0.34054104,0.0214118667,0.0214118667,GGA,Imma,ABC_oI12_74_a_e_c:Co-Er-Ni,6.0,ABC_oI12_74_a_e_c:Co-Er-Ni +mp-1219109,SmEr(Co2Ni3)2,-6.2079790142,-0.1746126638,0.6154058603,0.6154058603,GGA,Pmmm,A4BC6D_oP12_47_ij_a_fgx_d:Co-Er-Ni-Sm,12.0,"Invalid WP multiplicities - A4BC6D_oP12_47_2ij_a_fgx_d:Co-Er-Ni-Sm, expected SmEr(CoNi)6 to be SmEr(Co2Ni3)2" +mp-1203663,Er2Co12Ni5,-6.6001817276,-0.1088167508,0.0620905904,0.0620905904,GGA,P6_3/mmc,A12B2C5_hP38_194_jk_bc_fg:Co-Er-Ni,38.0,A12B2C5_hP38_194_jk_bc_fg:Co-Er-Ni +mp-1225558,ErCo3Ni2,-6.4474213683,-0.2052637758,0.0449720517,0.0449720517,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Co-Er-Ni,6.0,A3BC2_hP6_191_g_a_c:Co-Er-Ni +mp-1219097,SmErNi2,-5.6300878475000005,-0.4184432712,0.7039285212,0.7039285212,GGA,Amm2,AB2C_oC8_38_a_ab_b:Er-Ni-Sm,4.0,AB2C_oC8_38_a_ab_b:Er-Ni-Sm +mp-1193937,Yb2PbSe4,-4.4232837046,-1.4553537703,0.1433063368,0.1433063368,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-Se-Yb,,AB4C2_oP28_62_c_4c_2c:Pb-Se-Yb +mp-1194123,Yb2PbSe4,-4.2881686514,-1.3202387171,0.27842139,0.27842139,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-Se-Yb,,AB4C2_oP28_62_c_4c_2c:Pb-Se-Yb +mp-1077377,YbCuPb,-3.444961015,-0.3278070083,0.0619735153,0.0619735153,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Pb-Yb,,ABC_hP6_194_c_d_a:Cu-Pb-Yb +mp-1178694,YbCuPbSe3,-4.3794627771,-1.0729300349,0.0863312468,0.0863312468,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-Se-Yb,,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-Se-Yb +mp-1095661,YbCuPbSe3,-4.3785467975,-1.0720140553,0.0872472264,0.0872472264,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Pb-Se-Yb,,ABC3D_oC24_63_c_c_cf_a:Cu-Pb-Se-Yb +mp-1101781,BaErCuSe3,-5.3194655867,-1.8071931112,0.0,-0.0546287063,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Er-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Er-Se +mp-1182299,BaCoCu3Se4,-4.5288602911,-0.6056871072000001,0.1956194568,0.1956194568,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Ba-Co-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Ba-Co-Cu-Se +mp-1147588,BaCoSe2,-5.17587498,-1.1710960574,0.2281204517,0.2281204517,GGA,I-4m2,ABC2_tI8_119_a_c_e:Ba-Co-Se,4.0,ABC2_tI8_119_a_c_e:Ba-Co-Se +mp-1113404,Rb2InCuBr6,-3.262931673,-1.4499188205,0.049998547,0.049998547,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-Rb +mp-1213051,CsYbZnTe3,-3.3286355725,-1.1411902488,0.0652275571,0.0652275571,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Yb-Zn,,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Yb-Zn +mp-29408,AlSeBr7,-3.1075355928,-1.0950149686,0.0172539376,0.0172539376,GGA,Pc,AB7C_mP18_7_a_7a_a:Al-Br-Se,18.0,"Invalid WP multiplicities - AB7C_mP18_7_a_10a_a:Al-Br-Se, expected AlSeBr10 to be AlSeBr7" +mp-1196459,Al2Sb5(Se2Br3)3,-3.9150682076,-1.0473917669,0.0,-0.0210114475,GGA,P2/c,A2B9C5D6_mP176_13_4g_18g_ef9g_12g:Al-Br-Sb-Se,176.0,A2B9C5D6_mP176_13_4g_18g_ef9g_12g:Al-Br-Sb-Se +mp-1104919,Yb(InSe2)2,-4.2076921036,-1.2038890106,0.0322152433,0.0322152433,GGA,Cccm,A2B4C_oC28_66_l_kl_a:In-Se-Yb,,A2B4C_oC28_66_l_kl_a:In-Se-Yb +mp-1193192,Ba(YbSe2)2,-4.6204206689,-1.9087296103,0.1501135554,0.1501135554,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Se-Yb,,AB4C2_oP28_62_c_4c_2c:Ba-Se-Yb +mp-1188896,Ba2YbInSe5,-4.5524356972,-1.7070135552,0.1083725465,0.1083725465,GGA,Cmc2_1,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Yb,,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Yb +mp-1205363,Ba2NdGaSe5,-5.1398663922,-1.9050052007,0.0,-0.0124340706,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Nd-Se,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Nd-Se +mp-3017,Na6CoSe4,-3.6848852282,-1.0460565494,0.0450857952,0.0450857952,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Co-Na-Se,22.0,AB6C4_hP22_186_b_2c_bc:Co-Na-Se +mp-1006112,Na3Co,-2.1074749875,0.6614984313000001,0.6614984313000001,0.6614984313000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Co-Na,4.0,AB3_cF16_225_a_bc:Co-Na +mp-1079951,Na2CoSe2,-4.19779648,-0.8487582126000001,0.0886585033,0.0886585033,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Na-Se,10.0,AB2C2_oI20_72_a_j_j:Co-Na-Se +mp-973352,NaCo3,-5.0201457687,0.6417239009,0.6417239009,0.6417239009,GGA,P6_3/mmc,A3B_hP8_194_h_c:Co-Na,8.0,A3B_hP8_194_h_c:Co-Na +mp-1179889,NaCoCu3Se4,-4.3289236856,-0.4720226845,0.0713437519,0.0713437519,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Na-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Na-Se +mp-1216617,Tl2GaCu3Se4,-3.905641492,-0.5021766684,0.0438778939,0.0438778939,GGA,C222,A3BC4D2_oC20_21_abc_d_l_k:Cu-Ga-Se-Tl,10.0,A3BC4D2_oC20_21_abc_d_l_k:Cu-Ga-Se-Tl +mp-18672,CsDy2Cu3Se5,-4.9510680845,-1.3250541345,0.0,-0.0322792714,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Dy-Se,22.0,"Invalid WP multiplicities - AB3C2D5_oC44_63_c_c2f_f_c5f:Cs-Cu-Dy-Se, expected CsDy2Cu5Se11 to be CsDy2Cu3Se5" +mp-9379,Sr(SnAs)2,-4.356228158,-0.5508533633,0.0,-0.0501884964,GGA,R-3m,A2B2C_hR15_166_c_c_a:As-Sn-Sr,5.0,A2B2C_hR15_166_c_c_a:As-Sn-Sr +mp-1194401,Sr5(SnAs3)2,-4.3148623708,-0.8978376472,0.0,-0.0240022331,GGA,Pbam,A6B2C5_oP26_55_g2h_h_a2g:As-Sn-Sr,26.0,A6B2C5_oP26_55_g2h_h_a2g:As-Sn-Sr +mp-1220888,NaSr2(SnAs)6,-4.2460020773,-0.4650918267,0.0,-0.014104618,GGA,C2/m,A6BC6D2_mC30_12_ij_a_ij_g:As-Na-Sn-Sr,15.0,"Invalid WP multiplicities - A6BC6D2_mC30_12_2i2j_a_2i2j_g:As-Na-Sn-Sr, expected NaSr2(SnAs)12 to be NaSr2(SnAs)6" +mp-1104604,Na2SrSn4,-3.26466485,-0.3542603557,0.0,-0.0039925951,GGA,C2/c,A2B4C_mC28_15_f_2f_e:Na-Sn-Sr,14.0,A2B4C_mC28_15_f_2f_e:Na-Sn-Sr +mp-1192393,Sr14(SnAs4)3,-4.1773105152,-1.0189986265,0.0,-0.0201769441,GGA,R3,A12B3C14_hR87_146_4b_3a_2a4b:As-Sn-Sr,29.0,A12B3C14_hR87_146_4b_3a_2a4b:As-Sn-Sr +mp-30253,Na10SrSn12,-3.0055858478,-0.2651680805,0.0,-0.004413413,GGA,I-43m,A10B12C_cI46_217_cd_g_a:Na-Sn-Sr,23.0,"Invalid WP multiplicities - A10B12C_cI46_217_c2d_g_a:Na-Sn-Sr, expected Na16SrSn12 to be Na10SrSn12" +mp-1103525,Yb2ZnSe4,-3.9242646207,-1.3067494663,0.2960454082,0.2960454082,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:Se-Yb-Zn,,A4B2C_cF56_227_e_c_b:Se-Yb-Zn +mp-1220016,Rb3Yb7Se12,-4.1753815555,-1.6449361959000002,0.2124926104,0.2124926104,GGA,Pmn2_1,A3B12C7_oP44_31_3a_12a_7a:Rb-Se-Yb,,"Invalid WP multiplicities - A3B12C7_oP44_31_4a_18a_10a:Rb-Se-Yb, expected Rb2Yb5Se9 to be Rb3Yb7Se12" +mp-1209070,RbYbZnSe3,-3.7582246983,-1.3802879658,0.0988987436,0.0988987436,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Rb-Se-Yb-Zn,,AB3CD_oC24_63_c_cf_a_c:Rb-Se-Yb-Zn +mp-675570,Mn3(SiTe3)2,-5.4812194632,-0.2815360726,0.0868332971,0.0868332971,GGA,P-31c,A3B2C6_hP22_163_cf_e_i:Mn-Si-Te,22.0,"Invalid WP multiplicities - A3B2C6_hP22_163_2c3f_e_i:Mn-Si-Te, expected Mn4SiTe3 to be Mn3(SiTe3)2" +mp-1210667,MnSi(AgTe2)2,-4.4084901969,-0.3052815841,0.025482757,0.025482757,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Ag-Mn-Si-Te,16.0,A2BCD4_oP16_31_b_a_a_2ab:Ag-Mn-Si-Te +mp-640614,In2Si(AgSe3)2,-4.0916820382,-0.676294187,0.0094031245,0.0094031245,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:Ag-In-Se-Si,22.0,"Invalid WP multiplicities - A2B2C6D_mC44_9_4a_2a_11a_a:Ag-In-Se-Si, expected In2SiAg4Se11 to be In2Si(AgSe3)2" +mp-3852,Tb3(CuGe)4,-5.07027921,-0.6346395373,0.0,-0.0269416436,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Tb,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_2eg_bf:Cu-Ge-Tb, expected Tb3(Cu2Ge3)2 to be Tb3(CuGe)4" +mp-1217732,Tb2CuGe4,-5.1408263071,-0.5893905514000001,0.0064052546,0.0064052546,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Tb,,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Tb +mp-567428,Tb3CuGeSe7,-5.4714713421,-1.5467452447,0.0,-0.0071944932,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-Se-Tb,24.0,"Invalid WP multiplicities - ABC7D3_hP24_173_a_b_2b10c_c:Cu-Ge-Se-Tb, expected Tb3CuGeSe32 to be Tb3CuGeSe7" +mp-1217650,Tb6Ge3Se14,-5.5168293922,-1.5769145725,0.0189136846,0.0189136846,GGA,P3,A3B14C6_hP23_143_abc_ab4d_2d:Ge-Se-Tb,23.0,A3B14C6_hP23_143_abc_ab4d_2d:Ge-Se-Tb +mp-1217584,TbCuGe,-4.827180385,-0.3749801767,0.3141171017,0.2537106447,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ge-Tb,6.0,ABC_hP6_164_d_d_c:Cu-Ge-Tb +mp-9387,TbCuGe,-5.1412974867,-0.6890972783,0.0,-0.0604064569,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Ge-Tb,6.0,ABC_hP6_186_b_b_a:Cu-Ge-Tb +mp-1217567,TbCuGe,-5.09439739,-0.6421971817000001,0.0469000967,-0.0135063603,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Tb,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Tb +mp-4521,Tb(CuGe)2,-4.925785662,-0.5100186320000001,0.0,-0.0436017338,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Tb,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Tb +mp-1079671,Tb2CuGe6,-4.9888821433,-0.4215370322,0.0418597058,0.0418597058,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Tb,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Tb +mp-5627,Pr(FeSi)2,-7.092668894,-0.5783520470000001,0.0,-0.0679880885,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Pr-Si +mp-4904,Pr(SiRu)2,-7.68337264,-0.8473032610000001,0.0,-0.1404387405,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Pr-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Pr-Ru-Si +mp-9537,Pr6Fe13Si,-7.2599380283,-0.0488866137,0.0311064393,0.0311064393,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Si,40.0,"Invalid WP multiplicities - A13B6C_tI80_140_dk3l_fl_a:Fe-Pr-Si, expected Pr6Fe17Si to be Pr6Fe13Si" +mp-1219876,Pr4Fe3Si4Ru,-6.8651942483,-0.5727474725,0.0194773308,0.0194773308,GGA,P-4m2,A3B4CD4_tP12_115_abc_2g_d_2g:Fe-Pr-Ru-Si,12.0,"Invalid WP multiplicities - A3B4CD4_tP12_115_abc_3g_d_3g:Fe-Pr-Ru-Si, expected Pr6Fe3Si6Ru to be Pr4Fe3Si4Ru" +mp-1219869,Pr2FeSi3,-6.1649495267,-0.4469850583,0.1905254229,0.1905254229,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Fe-Pr-Si,6.0,AB2C3_hP6_187_a_i_bcd:Fe-Pr-Si +mp-1018895,PrFeSi,-6.7587020183,-0.5332870200000001,0.0,-0.0500370558,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Pr-Si,6.0,ABC_tP6_129_a_c_c:Fe-Pr-Si +mp-8654,PrSiRu,-7.2625802617,-0.7690381533,0.0,-0.0626557959,GGA,P4/nmm,ABC_tP6_129_c_a_c:Pr-Ru-Si,6.0,ABC_tP6_129_c_a_c:Pr-Ru-Si +mp-3275,PrFeSi2,-6.6287085,-0.6033177437,0.0,-0.0123800825,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Fe-Pr-Si,8.0,ABC2_oC16_63_c_c_2c:Fe-Pr-Si +mp-31083,PrSi2Ru,-7.0203981663,-0.7939120775,0.0,-0.0560377519,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Pr-Ru-Si,8.0,ABC2_mP8_11_e_e_2e:Pr-Ru-Si +mp-1220120,Pr4Fe29Si5,-7.7213572371,-0.0402828092,0.1621209649,0.1621209649,GGA,P-1,A29B4C5_aP38_2_abe13i_2i_h2i:Fe-Pr-Si,38.0,"Invalid WP multiplicities - A29B4C5_aP38_2_abe25i_3i_h3i:Fe-Pr-Si, expected Pr6Fe53Si7 to be Pr4Fe29Si5" +mp-1219859,Pr2FeSi2Ru,-6.9805807983,-0.621102245,0.0300603417,0.0300603417,GGA,P-4m2,AB2CD2_tP6_115_a_g_b_g:Fe-Pr-Ru-Si,6.0,AB2CD2_tP6_115_a_g_b_g:Fe-Pr-Ru-Si +mp-1222109,Mn2Co2SiGe,-7.424947955,-0.3267792785,0.0054187233,0.0054187233,GGA,Pmc2_1,A2BC2D_oP12_26_ab_a_ab_b:Co-Ge-Mn-Si,12.0,A2BC2D_oP12_26_ab_a_ab_b:Co-Ge-Mn-Si +mp-1226449,Co2SiGe,-6.4367235212,-0.3704781525,0.0284332863,0.0284332863,GGA,P2_1,A2BC_mP8_4_2a_a_a:Co-Ge-Si,8.0,A2BC_mP8_4_2a_a_a:Co-Ge-Si +mp-1222104,Mn4Co4Si3Ge,-7.5547752567,-0.3897490656,0.0,-0.0017189694,GGA,Pm,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:Co-Ge-Mn-Si,12.0,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:Co-Ge-Mn-Si +mp-1226179,Co3SiGe2,-6.3244468392,-0.325058985,0.0133580604,0.0133580604,GGA,P1,A3B2C_aP24_1_12a_8a_4a:Co-Ge-Si,24.0,A3B2C_aP24_1_12a_8a_4a:Co-Ge-Si +mp-568828,Hg6BiSb4Br7,-2.502961284,-0.6668626957,0.0,-0.0174387022,GGA,Pa-3,AB7C6D4_cP72_205_a_bd_d_2c:Bi-Br-Hg-Sb,72.0,"Invalid WP multiplicities - AB7C6D4_cP72_205_a_4b4d_d_7c:Bi-Br-Hg-Sb, expected Hg6Bi(SbBr2)14 to be Hg6BiSb4Br7" +mp-1111848,Cs2LiCeBr6,-4.080962559,-2.1858638844,0.0,-0.0420842585,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-Li +mp-1111836,Cs2LiPrCl6,-4.423859726,-2.4666743934,0.0138323478,0.0138323478,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Pr +mp-1111841,Cs2LiNdCl6,-4.427257048,-2.4713475477,0.0,-0.0005734828,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Nd +mp-1111509,Na2CeCuCl6,-4.258643157,-1.8817865198,0.182295997,0.182295997,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-Na +mp-1112917,Cs2ErCuCl6,-4.316092721,-2.1611977026,0.0398406358,0.0398406358,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Er,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Er +mp-1224585,In2Hg8As5Br7,-2.3372253655,-0.4236071511,0.1172482625,0.1172482625,GGA,P-3m1,A5B7C8D2_hP22_164_a2d_bi_def_c:As-Br-Hg-In,22.0,A5B7C8D2_hP22_164_a2d_bi_def_c:As-Br-Hg-In +mp-1120715,Ag3BiBr6,-2.716144356,-0.5505116440000001,0.354246825,0.354246825,GGA,Fm-3m,A3BC6_cF40_225_ac_b_e:Ag-Bi-Br,10.0,A3BC6_cF40_225_ac_b_e:Ag-Bi-Br +mp-1110811,Rb2AgBiBr6,-3.264642554,-1.4694142282,0.0239725874,0.0239725874,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-Rb +mp-685586,Ag3(Bi2Br3)7,-3.3141951699,-0.8174027814,0.1018060943,0.1018060943,GGA,Pm,A3B14C21_mP76_6_3c_4a4b10c_5a5b16c:Ag-Bi-Br,76.0,A3B14C21_mP76_6_3c_4a4b10c_5a5b16c:Ag-Bi-Br +mp-1113067,Cs2ScInCl6,-4.413362648,-2.2167448941,0.0056756993,0.0056756993,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Sc +mp-1226971,Cd2Bi2(TeSe)3,-3.428048096,-0.4836071067,0.1583253887,0.1583253887,GGA,R3m,A2B2C3D3_hR30_160_2a_2a_3a_3a:Bi-Cd-Se-Te,10.0,A2B2C3D3_hR30_160_2a_2a_3a_3a:Bi-Cd-Se-Te +mp-1217504,TbSm(Co2Ni3)2,-6.16886042,-0.1299401288,0.6496703317,0.6496703317,GGA,Pmmm,A4B6CD_oP12_47_ij_ehx_b_c:Co-Ni-Sm-Tb,12.0,"Invalid WP multiplicities - A4B6CD_oP12_47_2ij_ehx_b_c:Co-Ni-Sm-Tb, expected TbSm(CoNi)6 to be TbSm(Co2Ni3)2" +mp-1217693,Tb2Co3Ni,-6.3101554283,-0.2478517175,0.0048332325,0.0048332325,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Ni-Tb,6.0,A3BC2_hR18_166_d_a_c:Co-Ni-Tb +mp-1217630,Tb3SmNi4,-5.6342184888,-0.4164395944,0.6249256617,0.6249256617,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:Ni-Sm-Tb,8.0,A4BC3_oP8_25_abcd_a_bcd:Ni-Sm-Tb +mp-1217588,TbCo2Ni3,-6.2652767533,-0.2333747983,0.0368130457,0.0368130457,GGA,Cmmm,A2B3C_oC12_65_e_ah_c:Co-Ni-Tb,6.0,A2B3C_oC12_65_e_ah_c:Co-Ni-Tb +mp-1110676,Rb2CuMoCl6,-4.355348716,-1.5556342275,0.0606499465,0.0606499465,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Mo-Rb +mp-1193105,Ba4In2Te2Se5,-4.5118567531,-1.6699001073000002,0.0098668159,0.0098668159,GGA,P4/mbm,A4B2C5D2_tP26_127_eg_f_ak_h:Ba-In-Se-Te,26.0,A4B2C5D2_tP26_127_eg_f_ak_h:Ba-In-Se-Te +mp-1182182,BaScCu3Se4,-4.8667205744,-1.0297528005,0.1651087864,0.1651087864,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Sc-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Sc-Se +mp-867324,Tb2Ni12As7,-5.8366997819,-0.5393568679,0.0,-0.0167773292,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Tb,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Tb +mp-1201911,Tb5Zr3(Ni4As3)4,-6.3133645872,-0.8354051392,0.0,-0.0521625125,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Tb-Zr,36.0,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Tb-Zr +mp-1206716,TbNiAs,-6.07781646,-1.053276065,0.0,-0.0122808224,GGA,P-6m2,ABC_hP3_187_a_c_f:As-Ni-Tb,3.0,ABC_hP3_187_a_c_f:As-Ni-Tb +mp-1103784,Tb(Ni2As)2,-5.9255268871,-0.6293626543,0.0,-0.0349061169,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Tb,14.0,A2B4C_tP14_136_f_i_a:As-Ni-Tb +mp-1206762,Tb2NiAs2,-6.115753478,-1.24233234,0.003769381,0.002099574,GGA,P6_3mc,A2BC2_hP10_186_ab_a_2b:As-Ni-Tb,10.0,A2BC2_hP10_186_ab_a_2b:As-Ni-Tb +mp-1079205,Tb2NiAs2,-6.119522859,-1.246101721,0.0,-0.001669807,GGA,P6_3/mmc,A2BC2_hP10_194_ac_b_f:As-Ni-Tb,10.0,A2BC2_hP10_194_ac_b_f:As-Ni-Tb +mp-1113598,Rb2InCuCl6,-3.668439576,-1.6781217255,0.0,-0.029146962,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Rb +mp-569635,Ba6Zn(InCl10)2,-4.3258771326,-2.4207842391,0.0,-0.0185510638,GGA,P2_1/c,A6B20C2D_mP116_14_6e_20e_2e_e:Ba-Cl-In-Zn,116.0,"Invalid WP multiplicities - A6B20C2D_mP116_14_19e_77e_5e_e:Ba-Cl-In-Zn, expected Ba19ZnIn5Cl77 to be Ba6Zn(InCl10)2" +mp-1093603,Ba2ZnIn,-0.78800738,1.174336925,1.4698560321,1.4698560321,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-In-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-In-Zn +mp-1183381,Ba2ZnIn,-2.248301495,-0.28595719,0.0095619171,0.0095619171,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-In-Zn,4.0,A2BC_cF16_225_c_a_b:Ba-In-Zn +mp-1227349,BaZnIn3,-2.636065042,-0.349311094,0.0,-0.0080466699,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-In-Zn,5.0,AB3C_tI10_107_a_ab_a:Ba-In-Zn +mp-23373,BaZnCl4,-4.0302148425,-2.2680706442,0.0,-0.0055014592,GGA,Pnna,AB4C_oP24_52_d_2e_c:Ba-Cl-Zn,24.0,AB4C_oP24_52_d_2e_c:Ba-Cl-Zn +mp-23522,BaZnCl4,-4.0236136408,-2.2614694425,0.0066012017,0.0010997425,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ba-Cl-Zn,24.0,AB4C_oP24_60_c_2d_c:Ba-Cl-Zn +mp-1220362,Nb6AlSn,-8.7038897325,-0.1585174919,0.0333399245,0.0333399245,GGA,Pm-3,AB6C_cP8_200_a_f_b:Al-Nb-Sn,8.0,AB6C_cP8_200_a_f_b:Al-Nb-Sn +mp-1220636,Nb3Al2Mo3,-9.0076470075,-0.2161448687,0.0245512989,0.0245512989,GGA,R32,A2B3C3_hR24_155_c_d_e:Al-Mo-Nb,8.0,A2B3C3_hR24_155_c_d_e:Al-Mo-Nb +mp-1220637,Nb3AlSnMo3,-8.9948172638,-0.1703156219,0.0336648794,0.0336648794,GGA,R3,AB3C3D_hR24_146_a_b_b_a:Al-Mo-Nb-Sn,8.0,AB3C3D_hR24_146_a_b_b_a:Al-Mo-Nb-Sn +mp-1220329,NbAl6Mo,-5.7760623987,-0.3485111325,0.0311885036,0.0311885036,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Mo-Nb,8.0,A6BC_tP8_123_adi_b_c:Al-Mo-Nb +mp-1226322,Cr4InAgSe8,-5.93840305,-0.783851519,0.0,-0.017629795,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Ag-Cr-In-Se,14.0,AB4CD8_cF56_216_a_e_c_2e:Ag-Cr-In-Se +mp-7874,LiGaGe,-3.4540477383,-0.2673654903,0.0,-0.0523548075,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ga-Ge-Li,6.0,ABC_hP6_186_b_b_a:Ga-Ge-Li +mp-1222398,LiGa(GeSe3)2,-4.3070835585000005,-0.7912292120000001,0.0149739755,0.0149739755,GGA,Cc,AB2CD6_mC40_9_a_2a_a_6a:Ga-Ge-Li-Se,20.0,"Invalid WP multiplicities - AB2CD6_mC40_9_a_4a_a_12a:Ga-Ge-Li-Se, expected LiGa(GeSe3)4 to be LiGa(GeSe3)2" +mp-7212,CsSmHgSe3,-4.2012026567,-1.4669687725,0.0,-0.0181927904,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Hg-Se-Sm,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Hg-Se-Sm +mp-1095937,Rb2HgSe,-1.652236615,-0.2120716181,0.6978198677,0.6978198677,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Rb-Se,4.0,AB2C_oI8_71_a_e_b:Hg-Rb-Se +mp-17638,Rb3SbSe4,-3.7302565966,-1.0984754255,0.0,-0.0237126769,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Rb-Sb-Se,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_c2d_c_2cd:Rb-Sb-Se, expected Rb5SbSe4 to be Rb3SbSe4" +mp-17912,Rb3SbSe3,-3.663710525,-1.1553765406,0.0,-0.0894214158,GGA,P2_13,A3BC3_cP28_198_3a_a_b:Rb-Sb-Se,28.0,A3BC3_cP28_198_3a_a_b:Rb-Sb-Se +mp-1105496,Rb2Hg3Se4,-2.6628467639,-0.7899850805,0.0,-0.062098533,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Hg-Rb-Se,18.0,A3B2C4_oI36_72_af_j_k:Hg-Rb-Se +mp-1190907,Rb6HgSe4,-2.9777818032,-1.1440971931,0.0,-0.0506190445,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Hg-Rb-Se,22.0,AB6C4_hP22_186_b_2c_bc:Hg-Rb-Se +mp-4721,RbSb3Se5,-4.1375934611,-0.710138441,0.0050921964,0.0002170347,GGA,P2_1/c,AB3C5_mP36_14_e_3e_5e:Rb-Sb-Se,36.0,AB3C5_mP36_14_e_3e_5e:Rb-Sb-Se +mp-1198114,RbSb3Se5,-4.1426856575,-0.7152306374,0.0,-0.0048751617,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Rb-Sb-Se,36.0,AB3C5_oP36_62_c_3c_5c:Rb-Sb-Se +mp-9798,Rb(SbSe2)2,-4.0845071807,-0.7670525431,0.0,-0.0114296987,GGA,P-1,AB2C4_aP14_2_i_2i_4i:Rb-Sb-Se,14.0,AB2C4_aP14_2_i_2i_4i:Rb-Sb-Se +mp-6300,RbHgSbSe3,-3.4181113425,-0.7679529908,0.0,-0.0041303946,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:Hg-Rb-Sb-Se,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_4e:Hg-Rb-Sb-Se, expected RbHgSbSe4 to be RbHgSbSe3" +mp-1189259,RbSbSe2,-3.9502025969,-0.9248630299,0.0,-0.0170685598,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Rb-Sb-Se,16.0,"Invalid WP multiplicities - ABC2_aP16_2_4i_3i_6i:Rb-Sb-Se, expected Rb4(SbSe2)3 to be RbSbSe2" +mp-1225936,CsHgSbSe3,-3.3880537242,-0.7520839892000001,0.0231684721,0.0231684721,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cs-Hg-Sb-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Cs-Hg-Sb-Se, expected CsHgSbSe4 to be CsHgSbSe3" +mp-1199633,Cs3Ag(AsSe2)4,-4.0134164408,-0.7557584057000001,0.0,-0.0173862987,GGA,C2/c,AB4C3D8_mC128_15_f_4f_ce2f_8f:Ag-As-Cs-Se,64.0,AB4C3D8_mC128_15_f_4f_ce2f_8f:Ag-As-Cs-Se +mp-1195592,Ba3GaAs3,-4.2568274341,-1.0050594259,0.0,-0.0598570796,GGA,Pnma,A3B3C_oP56_62_2c2d_2c2d_d:As-Ba-Ga,56.0,A3B3C_oP56_62_2c2d_2c2d_d:As-Ba-Ga +mp-1195273,Ba7Ga4As9,-4.2680319902,-0.8941682745,0.0,-0.0114976339,GGA,Pmmn,A9B7C4_oP40_59_a2beg_aeg_ef:As-Ba-Ga,40.0,A9B7C4_oP40_59_a2beg_aeg_ef:As-Ba-Ga +mp-1195309,Ba2GaAsSe5,-4.6629655178,-1.4402186627,0.0,-0.0077298675,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:As-Ba-Ga-Se,36.0,AB2CD5_oP36_62_c_d_c_3cd:As-Ba-Ga-Se +mp-28348,Ba2As2Se5,-4.7012858428,-1.2973142785,0.0,-0.0592966922,GGA,P2_1,A2B2C5_mP36_4_4a_4a_10a:As-Ba-Se,36.0,"Invalid WP multiplicities - A2B2C5_mP36_4_5a_4a_12a:As-Ba-Se, expected Ba4As5Se12 to be Ba2As2Se5" +mp-1183302,Ba(GaAs)2,-4.109172771,-0.6504920120000001,0.0,-0.0204268139,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:As-Ba-Ga,20.0,A2BC2_mP20_14_2e_e_2e:As-Ba-Ga +mp-1079491,LiIn2CuSe4,-4.070511605,-0.8836187416,0.0039216219,0.0039216219,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Cu-In-Li-Se,8.0,AB2CD4_tI16_82_a_bc_d_g:Cu-In-Li-Se +mp-12364,BaCu2SnSe4,-4.4894356762,-0.9756099205,0.0,-0.0065733394,GGA,Ama2,AB2C4D_oC32_40_a_c_2bc_b:Ba-Cu-Se-Sn,16.0,"Invalid WP multiplicities - AB2C4D_oC32_40_a_c_4bc_b:Ba-Cu-Se-Sn, expected BaCu2SnSe6 to be BaCu2SnSe4" +mp-1192715,BaCu9Sn4,-4.0583605296,-0.1404946446,0.0,-0.0048439686,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ba-Cu-Sn,28.0,AB9C4_tI56_140_a_dkl_l:Ba-Cu-Sn +mp-5792,BaCuSn2,-3.9607973888,-0.4514660587,0.0,-0.0132401338,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ba-Cu-Sn,8.0,ABC2_oC16_63_c_c_2c:Ba-Cu-Sn +mp-574369,La2InCu2,-4.5046632120000005,-0.340240956,0.0,-0.008821242,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-La,10.0,A2BC2_tP10_127_g_a_h:Cu-In-La +mp-20491,LaInCu2,-4.244818775,-0.2732927312,0.0302213765,0.0302213765,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-La,4.0,A2BC_cF16_225_c_a_b:Cu-In-La +mp-1227612,La9In5Se21,-5.5314855613,-1.7715820291000002,0.0019112093,0.0019112093,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:In-La-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:In-La-Se, expected La24In5Se51 to be La9In5Se21" +mp-1211998,LaIn2Cu9,-4.0809061479,-0.136553265,0.0061174087,0.0061174087,GGA,P4/mbm,A9B2C_tP24_127_cjk_g_a:Cu-In-La,24.0,A9B2C_tP24_127_cjk_g_a:Cu-In-La +mp-21390,La2InCuSe5,-5.3765667525,-1.5762931971,0.0060357001,0.0060357001,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-La-Se,36.0,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-La-Se +mp-1224933,La2(InCu3)3,-4.1396232523,-0.2096285787,0.021249302,0.021249302,GGA,Pnnm,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-La,56.0,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-La +mp-1203883,LaInCu5,-4.2434237757,-0.2171774636,0.0,-0.0343938247,GGA,Pnnm,A5BC_oP56_58_6g2h_2g_acg:Cu-In-La,56.0,A5BC_oP56_58_6g2h_2g_acg:Cu-In-La +mp-1210646,MnSi(AgSe2)2,-4.8297105375000005,-0.5501991326,0.0,-0.0183735072,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-Se-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-Se-Si +mp-570706,CsTiCu3Se4,-4.8502794228,-0.9533727217,0.0,-0.0404039425,GGA,P2_1/m,AB3C4D_mP18_11_e_ef_2ef_e:Cs-Cu-Se-Ti,18.0,"Invalid WP multiplicities - AB3C4D_mP18_11_e_e2f_2ef_e:Cs-Cu-Se-Ti, expected CsTiCu5Se4 to be CsTiCu3Se4" +mp-1181577,CsTiCu3Se4,-4.6657707044,-0.7688640034,0.1845087183,0.1441047758,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-Ti,9.0,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-Ti +mp-10489,Cs2Ti(CuSe2)2,-4.71254498,-1.1716165343,0.0,-0.1096834922,GGA,P4_2/mcm,A2B2C4D_tP18_132_i_e_o_b:Cs-Cu-Se-Ti,18.0,A2B2C4D_tP18_132_i_e_o_b:Cs-Cu-Se-Ti +mp-1213726,CrFeCoSi,-7.93879247,-0.2746163437,0.0738957163,0.0738957163,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Co-Cr-Fe-Si,4.0,ABCD_cF16_216_a_c_b_d:Co-Cr-Fe-Si +mp-1028253,Mg14AlCu,-1.874792735,0.015751215,0.0730605032,0.0730605032,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Cu-Mg, expected Mg18AlCu to be Mg14AlCu" +mp-1028244,Mg14AlCu,-1.8719804275,0.0185635225,0.0758728107,0.0758728107,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Cu-Mg, expected Mg26AlCu to be Mg14AlCu" +mp-30178,Mg2Al5Cu6,-3.8184174946,-0.2396729354,0.0,-0.0263964084,GGA,Pm-3,A5B6C2_cP39_200_bfi_ek_g:Al-Cu-Mg,39.0,"Invalid WP multiplicities - A5B6C2_cP39_200_b3f3i_ek_g:Al-Cu-Mg, expected Mg6Al43Cu18 to be Mg2Al5Cu6" +mp-1200279,Mg11(Al2Cu)6,-3.1406748866,-0.1356669372,0.0198380542,0.0198380542,GGA,Fd-3m,A12B6C11_cF464_227_2g_g_ab2eg:Al-Cu-Mg,116.0,A12B6C11_cF464_227_2g_g_ab2eg:Al-Cu-Mg +mp-1222119,MgAlCu,-3.2475825011,-0.0992283178,0.0921363547,0.0921363547,GGA,R-3m,ABC_hR54_166_h_acd_3c:Al-Cu-Mg,18.0,ABC_hR54_166_h_acd_3c:Al-Cu-Mg +mp-1185707,Mg16Al12Se,-2.5967183676000003,-0.043363118,0.0839461717,0.0839461717,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Se,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-Se, expected Mg58Al39Se to be Mg16Al12Se" +mp-9479,Mg(AlSe2)2,-4.5222544057,-1.2258147456,0.0175793311,0.0175793311,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Al-Mg-Se,7.0,A2BC4_hR21_166_c_a_2c:Al-Mg-Se +mp-3034,MgAl2Cu,-3.480066995,-0.1824074,0.0,-0.0322861584,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Cu-Mg,8.0,A2BC_oC16_63_f_c_c:Al-Cu-Mg +mp-1023482,Mg6AlCu,-2.1453328069,0.0354750431,0.1237201893,0.1237201893,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Cu-Mg, expected Mg12AlCu to be Mg6AlCu" +mp-1023484,Mg6AlCu,-2.1449797906,0.0358280594,0.1240732055,0.1240732055,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Cu-Mg, expected Mg12AlCu to be Mg6AlCu" +mp-1180332,MgAlCu3Se4,-4.1630366944,-0.6489120499000001,0.1543968108,0.1543968108,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Mg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Mg-Se +mp-1222214,Mg3(AlCu2)2,-3.4014768744,-0.2138303756,0.0038286772,-0.0225593699,GGA,P-1,A2B4C3_aP18_2_dei_bc3i_3i:Al-Cu-Mg,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_dei_bc4i_5i:Al-Cu-Mg, expected Mg5Al2Cu5 to be Mg3(AlCu2)2" +mp-1222208,Mg3(AlCu2)2,-3.4053055517,-0.2176590528,0.0,-0.0263880471,GGA,C2/m,A2B4C3_mC36_12_adi_eij_3i:Al-Cu-Mg,18.0,"Invalid WP multiplicities - A2B4C3_mC36_12_aci_2ei2j_6i:Al-Cu-Mg, expected Mg6Al2Cu7 to be Mg3(AlCu2)2" +mp-1185659,Mg16Al12Cu,-2.5905312007,-0.0163726686,0.0320940751,0.0320940751,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Cu-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b6c:Al-Cu-Mg, expected Mg61Al39Cu to be Mg16Al12Cu" +mp-29624,Mg2Al2Se5,-4.4402370456,-1.3100960291,0.0,-0.0240716294,GGA,P-3m1,A2B2C5_hP9_164_d_d_a2d:Al-Mg-Se,9.0,A2B2C5_hP9_164_d_d_a2d:Al-Mg-Se +mp-673834,Mg5(AlSe4)2,-3.9824709582,-1.0851480427,0.2966662532,0.2966662532,GGA,P1,A2B5C8_aP60_1_8a_20a_32a:Al-Mg-Se,60.0,A2B5C8_aP60_1_8a_20a_32a:Al-Mg-Se +mp-1112145,Cs2NaNdBr6,-3.927178393,-2.207213648,0.0,-0.0425528905,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Nd +mp-1219221,Sm2(CoCu)5,-5.4978912967,-0.0416584138,0.093463676,0.093463676,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Cu-Sm,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Cu-Sm, expected Sm2Co7Cu5 to be Sm2(CoCu)5" +mp-1219042,SmMn5Co7,-7.66338606,0.0509898754,0.0983846227,0.0983846227,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Co-Mn-Sm,13.0,A7B5C_oI26_44_2ab2c_be_a:Co-Mn-Sm +mp-1219008,SmMnCo3Cu,-6.5596479783,-0.008854398,0.0950433182,0.0950433182,GGA,P-6m2,A3BCD_hP6_187_k_a_c_e:Co-Cu-Mn-Sm,6.0,A3BCD_hP6_187_k_a_c_e:Co-Cu-Mn-Sm +mp-1219079,SmCo2Cu3,-5.237585705,-0.0321120825,0.1109305561,0.1109305561,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Co-Cu-Sm,6.0,A2B3C_hP6_191_c_g_a:Co-Cu-Sm +mp-1104191,Sm(MnCo2)4,-7.5330989977,0.0233002072,0.0737052784,0.0737052784,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Co-Mn-Sm,13.0,A8B4C_tI26_139_ij_f_a:Co-Mn-Sm +mp-1219087,SmCo4Cu,-6.279098605,-0.0705879408,0.0398284981,0.0398284981,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Cu-Sm,6.0,A4BC_hP6_187_ak_c_e:Co-Cu-Sm +mp-1213724,Cs2LaCl5,-4.6164006337,-2.6202137401,0.0,-0.0162088763,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-Cs-La,32.0,A5B2C_oP32_62_3cd_d_c:Cl-Cs-La +mp-582080,Cs3LaCl6,-4.4227026778,-2.5513592596,0.0,-0.0041982428,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Cs-La,40.0,"Invalid WP multiplicities - A6B3C_mC80_15_20f_9f_2a2e:Cl-Cs-La, expected Cs9La2Cl20 to be Cs3LaCl6" +mp-1112652,Cs3LaCl6,-4.3654008730000005,-2.4940574549,0.0573018047,0.053103562,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-La,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-La +mp-1080017,Cs2NaLaCl6,-4.428293308,-2.5142375977,0.00385671,0.00385671,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Na +mp-1111821,Cs2NaNdCl6,-4.37751952,-2.480249777,0.0,-0.0149372533,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Nd +mp-8607,Na(Cu2Sb)2,-3.86529139,-0.1542407538,0.0,-0.0170963227,GGA,R-3m,A4BC2_hR21_166_2c_a_c:Cu-Na-Sb,7.0,A4BC2_hR21_166_2c_a_c:Cu-Na-Sb +mp-1111536,Na2CuSbCl6,-3.568576877,-1.3721290313,0.14094836,0.14094836,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sb +mp-1112534,Cs2NaScBr6,-4.021829951,-2.1454330387,0.0,-0.000707634,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Sc +mp-1111508,Na2ErCuCl6,-4.167057623,-1.9267380203,0.1545622133,0.1545622133,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-Na +mp-1215315,ZrMnNi,-8.1097065317,-0.2797556643,0.0427260796,0.0427260796,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Mn-Ni-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Mn-Ni-Zr, expected Zr3(MnNi)2 to be ZrMnNi" +mp-1215234,ZrMnNi,-8.103042455,-0.2730915876,0.0493901563,0.0493901563,GGA,Imma,ABC_oI12_74_a_c_e:Mn-Ni-Zr,6.0,ABC_oI12_74_a_c_e:Mn-Ni-Zr +mp-1215885,Zr3(MnNi2)2,-7.7779096667,-0.3237230895,0.0437808239,0.0437808239,GGA,P-1,A2B4C3_aP18_2_cei_bd3i_3i:Mn-Ni-Zr,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cei_bd4i_5i:Mn-Ni-Zr, expected Zr5Mn2Ni5 to be Zr3(MnNi2)2" +mp-1215226,ZrScMnNi3,-7.2867957083,-0.3896965305,0.0320052456,0.0320052456,GGA,R3m,AB3CD_hR18_160_a_b_a_a:Mn-Ni-Sc-Zr,6.0,AB3CD_hR18_160_a_b_a_a:Mn-Ni-Sc-Zr +mp-1219441,Sc3(MnNi2)2,-7.0985559672,-0.3827798984,0.0162727477,0.0162727477,GGA,P-1,A2B4C3_aP18_2_cei_bd3i_3i:Mn-Ni-Sc,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cei_bd4i_5i:Mn-Ni-Sc, expected Sc5Mn2Ni5 to be Sc3(MnNi2)2" +mp-1113410,Cs2LaAuCl6,-4.205486161,-2.0962947801,0.1160571699,0.1160571699,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-La,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-La +mp-1189729,Ba2SmGaTe5,-4.5652107633,-1.5317483740000002,0.0105384321,0.0105384321,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Sm-Te,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Sm-Te +mp-17786,Ba(SmTe2)2,-5.2136299625,-1.795148422,0.0,-0.0129257671,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Sm-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Sm-Te +mp-1113444,Cs2TlAgBr6,-3.036877036,-1.4064596486,0.0,-0.0018118768,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Tl +mp-1110702,Rb2NaNdCl6,-4.351009015,-2.4367129319,0.0280156475,0.0280156475,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Na-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Na-Nd-Rb +mp-1095833,Tl2HgTe,-1.91051019,0.1325579479,0.4632173197,0.4632173197,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Te-Tl,4.0,ABC2_oI8_71_a_b_e:Hg-Te-Tl +mp-1190100,Tl2Hg3Te4,-2.4046182878,-0.3813348476,0.0185982837,0.0185982837,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Hg-Te-Tl,18.0,A3B4C2_mC36_15_ef_2f_f:Hg-Te-Tl +mp-569246,Tl2HgGeTe4,-3.1811694412,-0.4030171804,0.0080388856,0.0080388856,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Ge-Hg-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Ge-Hg-Te-Tl +mp-1112138,Cs2NaTlBr6,-3.106522688,-1.6271083716,0.0196120543,0.0196120543,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Tl +mp-569348,TlGaBr4,-3.2577886431,-1.3239798949,0.0,-0.0594179031,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:Br-Ga-Tl,48.0,"Invalid WP multiplicities - A4BC_mP48_14_27e_4e_5e:Br-Ga-Tl, expected Tl5Ga4Br27 to be TlGaBr4" +mp-1114007,Rb2TlGaBr6,-3.210382758,-1.5433850286,0.08963139,0.08963139,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ga-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ga-Rb-Tl +mp-1113424,Cs2AlAuBr6,-3.305466602,-1.4926233466,0.1575389707,0.1575389707,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-Cs +mp-1209075,RbYbZnTe3,-3.32954452,-1.1279105796,0.0751066964,0.0751066964,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Rb-Te-Yb-Zn,,AB3CD_oC24_63_c_cf_a_c:Rb-Te-Yb-Zn +mp-1224848,GaAgSnSe4,-4.08446777,-0.6767720855,0.0,-0.0019421736,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Ag-Ga-Se-Sn,7.0,ABC4D_tI14_82_a_c_g_b:Ag-Ga-Se-Sn +mp-1224876,GaAgSnSe4,-4.0825552386,-0.6748595541,0.0019125314,-2.96421e-05,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Ag-Ga-Se-Sn,7.0,ABC4D_tI14_82_a_b_g_c:Ag-Ga-Se-Sn +mp-1226469,CeZnAgAs2,-4.478226364,-0.6095012483000001,0.0356790805,0.0356790805,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-As-Ce-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-As-Ce-Zn +mp-672195,CeAgAs2,-5.3036849062,-0.7827144142,0.0028309925,-0.0393872323,GGA,Pbcm,AB2C_oP32_57_2c_2de_2d:Ag-As-Ce,32.0,"Invalid WP multiplicities - AB2C_oP32_57_4c_6d3e_5d:Ag-As-Ce, expected Ce5(AgAs3)4 to be CeAgAs2" +mp-1182693,CeAgAs2,-5.3035486234,-0.7825781314,0.0029672753,-0.0392509495,GGA,Pbcm,AB2C_oP32_57_2c_2de_2d:Ag-As-Ce,32.0,"Invalid WP multiplicities - AB2C_oP32_57_4c_6d3e_5d:Ag-As-Ce, expected Ce5(AgAs3)4 to be CeAgAs2" +mp-985705,CeAgAs2,-5.3065158987,-0.7855454067000001,0.0,-0.0422182248,GGA,Cmce,AB2C_oC32_64_e_df_f:Ag-As-Ce,16.0,AB2C_oC32_64_e_df_f:Ag-As-Ce +mp-20384,CeAgAs2,-5.3060490275,-0.7850785354,0.0004668712,-0.0417513535,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ag-As-Ce,8.0,AB2C_tP8_129_a_bc_c:Ag-As-Ce +mp-867186,CeZn2Ag,-3.04097423,-0.2196911354,0.0292105156,0.0292105156,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Ce-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Ce-Zn +mp-505713,CsTmZnSe3,-4.4951230658,-1.6420037594,0.0,-0.1273671194,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Tm-Zn,12.0,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Tm-Zn +mp-1105890,Lu3Tl2Cu5Se8,-4.8142523122,-1.1058376997,0.0095007612,0.0095007612,GGA,Cm,A5B3C8D2_mC36_8_5a_3a_8a_2a:Cu-Lu-Se-Tl,18.0,A5B3C8D2_mC36_8_5a_3a_8a_2a:Cu-Lu-Se-Tl +mp-1001611,LuTlSe2,-5.060486025,-1.5916318695,0.0,-0.0884771602,GGA,R-3m,AB2C_hR12_166_a_c_b:Lu-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Lu-Se-Tl +mp-680466,InBi37Br48,-3.4428482285,-0.8917419334000001,0.0402421986,0.0402421986,GGA,P6_3,A37B48C_hP172_173_b12c_a2b15c_b:Bi-Br-In,172.0,"Invalid WP multiplicities - A37B48C_hP172_173_b69c_2a4b85c_b:Bi-Br-In, expected InBi208Br261 to be InBi37Br48" +mp-1112892,Cs2InBiBr6,-3.348455591,-1.5783408326,0.0002324107,0.0002324107,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-In +mp-16445,CsSm2CuSe4,-5.2800217225,-1.7280933197,0.0,-0.0157736512,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cs-Cu-Se-Sm,16.0,"Invalid WP multiplicities - ABC4D2_oC32_63_c_c_ac2f_f:Cs-Cu-Se-Sm, expected CsSm2CuSe6 to be CsSm2CuSe4" +mp-1191238,CsSm2Cu3Se5,-4.9654215391,-1.3190804445,0.0108898939,0.0108898939,GGA,Cmcm,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Sm,22.0,AB3C5D2_oC44_63_c_cf_c2f_f:Cs-Cu-Se-Sm +mp-1224210,InCuGeSe4,-4.2672448,-0.6304499192,0.0,-0.0001043584,GGA,I-4,ABCD4_tI14_82_a_c_b_g:Cu-Ge-In-Se,7.0,ABCD4_tI14_82_a_c_b_g:Cu-Ge-In-Se +mp-1194690,PrMgAl7Fe2,-4.857715587,-0.3540556748,0.0126353994,0.0126353994,GGA,Pbam,A7B2CD_oP44_55_adg5h_2g_g_g:Al-Fe-Mg-Pr,44.0,A7B2CD_oP44_55_adg5h_2g_g_g:Al-Fe-Mg-Pr +mp-1186690,Pr(Mg4Al3)4,-2.6611046248,-0.0634392278,0.0203009407,0.0203009407,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pr,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Pr, expected PrMg49Al48 to be Pr(Mg4Al3)4" +mp-1186688,Pr(Mg4Al3)4,-2.6656422745,-0.0679768774,0.0157632911,0.0157632911,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Pr,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Pr, expected Pr(Mg4Al)12 to be Pr(Mg4Al3)4" +mp-1028219,Mg14AlFe,-2.05334945,0.1103704088,0.1717984954,0.1717984954,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Fe-Mg, expected Mg18AlFe to be Mg14AlFe" +mp-1028207,Mg14AlFe,-2.0571297475,0.1065901113,0.1680181979,0.1680181979,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Fe-Mg, expected Mg26AlFe to be Mg14AlFe" +mp-1219956,Pr4AlFe33,-7.9246528426,0.0327129147,0.0536490384,0.0536490384,GGA,Cm,AB33C4_mC76_8_a_9a12b_4a:Al-Fe-Pr,38.0,"Invalid WP multiplicities - AB33C4_mC76_8_a_9a23b_4a:Al-Fe-Pr, expected Pr4AlFe55 to be Pr4AlFe33" +mp-1219995,Pr6Al3Fe11,-6.767362563,-0.1127427965,0.0065931085,0.0065931085,GGA,I4cm,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Pr,40.0,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Pr +mp-1219949,Pr2AlFe16,-7.8230568111,0.0099814363,0.0518536837,0.0518536837,GGA,R3m,AB16C2_hR57_160_a_a3bc_2a:Al-Fe-Pr,19.0,AB16C2_hR57_160_a_a3bc_2a:Al-Fe-Pr +mp-1202613,Pr(Al4Fe)2,-5.0942892289,-0.3956024275,0.0,-0.0202137046,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Fe-Pr,44.0,A8B2C_oP44_55_ad2g5h_2g_g:Al-Fe-Pr +mp-976187,Pr(Al2Fe)4,-5.6767888431,-0.3978967481,0.0,-0.0230493953,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Pr,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Fe-Pr, expected Pr(Al3Fe)4 to be Pr(Al2Fe)4" +mp-1186689,Pr2MgAl,-3.9719330925,-0.245016245,0.0046589787,0.0046589787,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Pr,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Pr +mp-1209798,Pr(Al5Fe)2,-4.8941841104,-0.3421297662,0.0066990863,0.0066990863,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Pr,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Pr +mp-1190010,Pr2Al2Fe15,-7.6078076926,-0.0234244653,0.0603200295,0.0603200295,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Pr,19.0,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Pr +mp-1219887,Pr(AlFe)6,-6.3401994192,-0.3344695735,0.0,-0.0091884135,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Pr,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Pr +mp-1185661,Mg16Al12Fe,-2.7163565766,0.0085196983,0.0794994591,0.0794994591,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Fe-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b6c:Al-Fe-Mg, expected Mg61Al39Fe to be Mg16Al12Fe" +mp-1219830,Pr3MgAl2,-4.1682573433,-0.2625658475,0.0327087667,0.0327087667,GGA,P4/mmm,A2BC3_tP6_123_g_a_dh:Al-Mg-Pr,6.0,"Invalid WP multiplicities - A2BC3_tP6_123_g_a_d2h:Al-Mg-Pr, expected Pr5MgAl2 to be Pr3MgAl2" +mp-1023494,Mg6AlFe,-2.6032223337,0.1239373338,0.2232881244,0.2232881244,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Fe-Mg, expected Mg12AlFe to be Mg6AlFe" +mp-1023505,Mg6AlFe,-2.5928779675,0.1342817,0.2336324907,0.2336324907,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Fe-Mg, expected Mg12AlFe to be Mg6AlFe" +mp-1219064,SmCuGe,-5.11035112,-0.6300775667,0.0,-0.0178291054,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Sm,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Sm +mp-1219161,Sm2CuGe4,-5.1836930471,-0.6081944243,0.0061040311,0.0061040311,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Sm,,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Sm +mp-1103415,Sm3(CuGe)4,-5.0793898755,-0.6207811023,0.0,-0.0360167045,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Sm,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Sm +mp-570226,Sm3CuGeSe7,-5.5169307254,-1.5711496193,0.0,-0.0211531296,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-Se-Sm,24.0,"Invalid WP multiplicities - ABC7D3_hP24_173_a_b_2b8c_c:Cu-Ge-Se-Sm, expected Sm3CuGeSe26 to be Sm3CuGeSe7" +mp-1206837,Sm2CuGe6,-5.0273375522,-0.4412768778,0.0365108097,0.0365108097,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Sm,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Sm +mp-13400,Sm(CuGe)2,-4.962999632,-0.530388595,0.0,-0.0741345491,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Sm,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Sm +mp-16001,Rb5Ti6AgSe27,-4.991439075,-1.1581624503,0.0,-0.0565910809,GGA,P31c,AB5C27D6_hP78_159_a_2bc_9c_2c:Ag-Rb-Se-Ti,78.0,"Invalid WP multiplicities - AB5C27D6_hP78_159_a_2b2c_14c_3c:Ag-Rb-Se-Ti, expected Rb8Ti9AgSe42 to be Rb5Ti6AgSe27" +mp-1191234,BaAl4Se7,-4.8182954879,-1.3705739376,0.0186145725,0.0186145725,GGA,Pc,A4BC7_mP24_7_4a_a_7a:Al-Ba-Se,24.0,A4BC7_mP24_7_4a_a_7a:Al-Ba-Se +mp-1228359,Ba5Al3Cu2,-2.793793506,0.109208047,0.2583918391,0.2583918391,GGA,R3m,A3B5C2_hR30_160_b_5a_2a:Al-Ba-Cu,10.0,A3B5C2_hR30_160_b_5a_2a:Al-Ba-Cu +mp-1182176,BaAlCu3Se4,-4.3772386833,-0.8277034955,0.1742917471,0.1742917471,GGA,P-43m,ABC3D4_cP9_215_b_a_c_e:Al-Ba-Cu-Se,9.0,ABC3D4_cP9_215_b_a_c_e:Al-Ba-Cu-Se +mp-1228740,Ba(AlSe2)2,-4.9210545457,-1.5790870442,0.0,-0.0780577004,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Ba-Se,14.0,A2BC4_oC28_66_l_a_kl:Al-Ba-Se +mp-1025540,MnCu2SiTe4,-4.72214962,-0.3022783406,0.0234841234,0.0234841234,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Mn-Si-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Mn-Si-Te +mp-1217338,Ti2Cr4(CuSe4)3,-6.0784233067,-0.9045313231,0.0048738657,0.0048738657,GGA,C2/c,A4B3C12D2_mC84_15_acf_ef_6f_f:Cr-Cu-Se-Ti,42.0,"Invalid WP multiplicities - A4B3C12D2_mC84_15_2a2c3f_2e2f_24f_f:Cr-Cu-Se-Ti, expected TiCr5(CuSe8)3 to be Ti2Cr4(CuSe4)3" +mp-1208265,Ti2CrSe4,-6.8613237129,-1.228798368,0.0174362041,0.0174362041,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Cr-Se-Ti,7.0,AB4C2_mC14_12_a_2i_i:Cr-Se-Ti +mp-1216880,TiCrCuSe4,-6.0693739886,-0.9791751218,0.0085241189,0.0085241189,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-Se-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-Se-Ti, expected TiCrCuSe8 to be TiCrCuSe4" +mp-1216982,TiCr3(CuSe4)2,-6.0791713843,-0.8634328423000001,0.0068253205,0.0068253205,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Cu-Se-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Cu-Se-Ti, expected TiCr3(CuSe8)2 to be TiCr3(CuSe4)2" +mp-1101119,Ti(CrSe2)2,-6.8583202586,-0.9747155632,0.0343198811,0.0343198811,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Cr-Se-Ti,7.0,A2B4C_mC14_8_2a_4a_a:Cr-Se-Ti +mp-1025279,Ti(CrSe2)2,-6.8669987971,-0.9833941018,0.0256413425,0.0256413425,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Cr-Se-Ti,7.0,A2B4C_mC14_12_i_2i_a:Cr-Se-Ti +mp-1080455,TiCuSiAs,-5.9738615362,-0.4540777558,0.0248141109,0.0248141109,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Cu-Si-Ti,8.0,ABCD_tP8_129_c_a_b_c:As-Cu-Si-Ti +mp-20255,TiCuSi,-6.3240617617,-0.5173895228000001,0.0,-0.0284940267,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Si-Ti,12.0,ABC_oP12_62_c_c_c:Cu-Si-Ti +mp-1225571,Er2FeSi4,-6.1837530686,-0.56850579,0.0519082071,0.0519082071,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Si,7.0,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Si +mp-1225572,Er2FeSi4,-6.0930418814,-0.4777946029,0.1426193943,0.1426193943,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Si,7.0,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Si +mp-1212817,Er(AlFe2)4,-6.9482575969,-0.2320889962,0.0407089055,0.0407089055,GGA,I4/mmm,A4BC8_tI26_139_i_a_fj:Al-Er-Fe,13.0,A4BC8_tI26_139_i_a_fj:Al-Er-Fe +mp-1213348,Er6Al3Si,-4.8049717513,-0.3981359133,0.0356939697,0.0356939697,GGA,I4/mcm,A3B6C_tI80_140_hl_ghm_ac:Al-Er-Si,40.0,A3B6C_tI80_140_hl_ghm_ac:Al-Er-Si +mp-569739,ErAl9(Fe2Si3)2,-5.6084784108,-0.3729836957,0.0,-0.0137128979,GGA,P4_2/nmc,A9BC4D6_tP80_137_c2gh_d_fg_3g:Al-Er-Fe-Si,80.0,"Invalid WP multiplicities - A9BC4D6_tP80_137_3c11g8h_d_5f6g_18g:Al-Er-Fe-Si, expected ErAl57(Fe11Si18)2 to be ErAl9(Fe2Si3)2" +mp-1225730,Er2Fe4Si9,-6.4143808993,-0.291488584,0.2333629012,0.2333629012,GGA,P-3m1,A2B4C9_hP15_164_d_2d_a2c2d:Er-Fe-Si,15.0,A2B4C9_hP15_164_d_2d_a2c2d:Er-Fe-Si +mp-5688,Er(FeSi)2,-7.122875232,-0.6511957740000001,0.0,-0.0812186976,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Fe-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Fe-Si +mp-1199551,Er2Al3Fe14,-7.4472851032,-0.1339976268,0.0332845067,0.0332845067,GGA,P6_3/mmc,A3B2C14_hP38_194_g_bc_fjk:Al-Er-Fe,38.0,A3B2C14_hP38_194_g_bc_fjk:Al-Er-Fe +mp-12004,Er2Al3Si2,-4.9768227543,-0.5164225871,0.0,-0.0116819171,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Er-Si,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Er-Si, expected Er2Al5Si2 to be Er2Al3Si2" +mp-10529,Er2AlSi2,-5.4340314,-0.687701498,0.0,-0.018783759,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Er-Si,5.0,AB2C2_oI10_71_a_f_h:Al-Er-Si +mp-1225118,Er(Fe5Si)2,-7.9455328315,-0.2441046031,0.00635531,0.00635531,GGA,Immm,AB10C2_oI26_71_a_efgk_h:Er-Fe-Si,13.0,AB10C2_oI26_71_a_efgk_h:Er-Fe-Si +mp-1225555,Er4AlSi3,-5.1798625725,-0.3933119275,0.3136127277,0.3136127277,GGA,P4/mmm,AB4C3_tP8_123_a_2h_bg:Al-Er-Si,8.0,"Invalid WP multiplicities - AB4C3_tP8_123_a_3h_b2g:Al-Er-Si, expected Er6AlSi5 to be Er4AlSi3" +mp-1225622,ErAlFe,-5.9069699383,-0.3125313217,0.0077276783,0.0030728454,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Al-Er-Fe,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Al-Er-Fe, expected Er3(AlFe)2 to be ErAlFe" +mp-1225649,ErAlFe,-5.9146976167,-0.3202589999999999,0.0,-0.0046548329,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Er-Fe,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Er-Fe, expected Er3(AlFe)2 to be ErAlFe" +mp-680269,Er2Fe3Si5,-6.8296275312,-0.6624183913,0.0,-0.0603303412,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Er-Fe-Si,40.0,"Invalid WP multiplicities - A2B3C5_tP40_128_h_2d2h_4e5g6h:Er-Fe-Si, expected ErFe3Si13 to be Er2Fe3Si5" +mp-1226270,Er4Fe29Si5,-7.7773467332,-0.1187130363,0.1112169961,0.1112169961,GGA,P-1,A4B29C5_aP38_2_2i_abe13i_h2i:Er-Fe-Si,38.0,"Invalid WP multiplicities - A4B29C5_aP38_2_3i_abe25i_h3i:Er-Fe-Si, expected Er6Fe53Si7 to be Er4Fe29Si5" +mp-31095,Er2FeSi2,-6.382487822,-0.691268844,0.0,-0.004588042,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Er-Fe-Si,10.0,A2BC2_mC20_12_2i_i_2i:Er-Fe-Si +mp-1212880,Er3Fe2Si3,-6.523101495,-0.6582073775,0.0,-0.0067623547,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Er-Fe-Si,16.0,A3B2C3_oC32_63_cf_f_cf:Er-Fe-Si +mp-1212845,Er(Al5Fe)2,-4.8872559492,-0.3516006008,0.0,-0.00896595,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Er-Fe,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Er-Fe +mp-1225092,Er(AlFe)6,-6.3815196477,-0.3921887977,0.0,-0.0416467526,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Er-Fe,13.0,A6BC6_oI26_71_efg_a_hk:Al-Er-Fe +mp-1225641,ErAl7Fe5,-6.0249262477,-0.3990142731,0.0127890912,0.0127890912,GGA,Imm2,A7BC5_oI26_44_2ab2c_a_be:Al-Er-Fe,13.0,A7BC5_oI26_44_2ab2c_a_be:Al-Er-Fe +mp-1225058,Er2AlFe3,-6.594993625,-0.213147445,0.0074201325,0.0074201325,GGA,R-3m,AB2C3_hR18_166_a_c_d:Al-Er-Fe,6.0,AB2C3_hR18_166_a_c_d:Al-Er-Fe +mp-1206326,ErAlSi,-5.1684016717,-0.588864115,0.0,-0.001075315,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Er-Si,6.0,ABC_oC12_63_a_c_c:Al-Er-Si +mp-1225503,ErAlSi,-5.1181312517,-0.538593695,0.05027042,0.049195105,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Er-Si,6.0,ABC_tI12_109_a_a_a:Al-Er-Si +mp-1225062,Er2AlSi,-5.1977485062,-0.6211656363,0.0036854991,0.0036854991,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Al-Er-Si,8.0,AB2C_oP8_26_a_ab_b:Al-Er-Si +mp-1225719,Er3(Al2Fe)2,-5.4471234389,-0.3776231978,0.0048589611,0.0048589611,GGA,P-1,A4B3C2_aP18_2_bc3i_3i_dei:Al-Er-Fe,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_bc4i_5i_dei:Al-Er-Fe, expected Er5Al5Fe2 to be Er3(Al2Fe)2" +mp-1206419,Er(AlSi)2,-4.91134484,-0.329443534,0.032052277,0.032052277,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Er-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Er-Si +mp-3633,Er(Al2Fe)4,-5.69391103,-0.4314179308,0.0,-0.0439956981,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Er-Fe,13.0,A8BC4_tI26_139_ij_a_f:Al-Er-Fe +mp-1204517,Er2Fe14Si3,-7.8444889274,-0.2659789984,0.0015525625,0.0015525625,GGA,P6_3/mmc,A2B14C3_hP38_194_bc_fjk_g:Er-Fe-Si,38.0,A2B14C3_hP38_194_bc_fjk_g:Er-Fe-Si +mp-12837,Er3FeSi3,-6.2119549629,-0.7192218586,0.0,-3.03486e-05,GGA,C2/m,A3BC3_mC28_12_3i_i_3i:Er-Fe-Si,14.0,A3BC3_mC28_12_3i_i_3i:Er-Fe-Si +mp-1112146,Cs2NaPrBr6,-3.925732739,-2.2044921617,0.0,-0.0401085885,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Pr +mp-1209491,Rb8Zr6BeBr20,-4.5734017940000005,-1.8896744847,0.0,-0.0726035261,GGA,Fm-3m,AB20C8D6_cF140_225_a_ceh_f_e:Be-Br-Rb-Zr,35.0,AB20C8D6_cF140_225_a_ceh_f_e:Be-Br-Rb-Zr +mp-1112624,Cs2LiGdCl6,-5.372070983,-2.4853640019,0.0,-0.0020371057,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-Li +mp-28122,LiGdCl4,-6.40704287,-2.5105109122,0.0024352908,0.0024352908,GGA,I4_1/a,A4BC_tI24_88_f_a_b:Cl-Gd-Li,12.0,A4BC_tI24_88_f_a_b:Cl-Gd-Li +mp-1111834,Cs2LiTaBr6,-4.143199034,-1.6556315119,0.1107259806,0.1107259806,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Ta +mp-1110794,Rb2TaAgCl6,-4.408668814,-1.6344066402,0.1991824677,0.1991824677,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Ta +mp-1112945,Cs2NdAgCl6,-4.24575524,-2.197482426,0.0,-0.0073167353,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Nd +mp-1113440,Cs2TmAgCl6,-4.23885164,-2.2198100269,0.0,-0.0095334447,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tm +mp-1192050,La2Mn3Cu9As7,-5.4213195800000005,-0.3325220109,0.0732007288,0.0732007288,GGA,P-6,A7B9C2D3_hP21_174_ajk_2jk_cf_k:As-Cu-La-Mn,21.0,A7B9C2D3_hP21_174_ajk_2jk_cf_k:As-Cu-La-Mn +mp-1223147,La4Cu5As8,-5.3709701576,-0.8113813924000001,0.0,-0.0611552194,GGA,Amm2,A8B5C4_oC34_38_2a2bf_af_2a2b:As-Cu-La,17.0,A8B5C4_oC34_38_2a2bf_af_2a2b:As-Cu-La +mp-1206045,MnAg2SnTe4,-4.2763231212,-0.3500827804,0.0018481356,0.0018481356,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-Mn-Sn-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-Mn-Sn-Te +mp-1229006,AgSnTe2,-3.6227990625,-0.3406141513,0.0364139497,0.0364139497,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Sn-Te,4.0,ABC2_tP4_123_a_d_bc:Ag-Sn-Te +mp-569454,CdHgAsBr,-2.384810735,-0.52513152,0.0,-0.0092555833,GGA,Pmma,ABCD_oP16_51_i_2f_j_ae:As-Br-Cd-Hg,16.0,ABCD_oP16_51_i_2f_j_ae:As-Br-Cd-Hg +mp-1203526,Cd4As2Br3,-2.6771276019,-0.7139186197,0.0,-0.021362882,GGA,Pa-3,A2B3C4_cP72_205_2c_d_cd:As-Br-Cd,72.0,A2B3C4_cP72_205_2c_d_cd:As-Br-Cd +mp-567910,CdHg6(As2Br3)2,-2.3971003835,-0.5912406453,0.0,-0.0173658656,GGA,Pa-3,A4B6CD6_cP68_205_2c_d_a_d:As-Br-Cd-Hg,68.0,"Invalid WP multiplicities - A4B6CD6_cP68_205_8c_d_a_d:As-Br-Cd-Hg, expected CdHg6(As8Br3)2 to be CdHg6(As2Br3)2" +mp-28900,Cd2As3Br,-3.280535995,-0.3845088175,0.0,-0.0001818758,GGA,C2/c,A3BC2_mC24_15_ef_e_f:As-Br-Cd,12.0,"Invalid WP multiplicities - A3BC2_mC24_15_e2f_e_f:As-Br-Cd, expected Cd2As5Br to be Cd2As3Br" +mp-1096695,Tl2HgSb,-1.660602945,0.6288890296,0.6731489475,0.6731489475,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Sb-Tl,4.0,ABC2_oI8_71_a_b_e:Hg-Sb-Tl +mp-571582,TlHg3Sb2Br3,-2.4497759269,-0.6508012923000001,0.0,-0.0180883415,GGA,Pbcm,A3B3C2D_oP36_57_c2d_acd_e_d:Br-Hg-Sb-Tl,36.0,"Invalid WP multiplicities - A3B3C2D_oP36_57_4c7d_2a3c3d_e_d:Br-Hg-Sb-Tl, expected TlHg8Sb2Br11 to be TlHg3Sb2Br3" +mp-1110698,Rb2NaTaBr6,-4.081147347,-1.6351932422000002,0.1231981786,0.1231981786,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Ta +mp-581922,CsMo3Br3Cl4,-5.5635776402,-1.4285245191,0.0,-0.0055613396,GGA,P31c,A3B4CD3_hP44_159_2c_2b2c_ab_2c:Br-Cl-Cs-Mo,44.0,"Invalid WP multiplicities - A3B4CD3_hP44_159_5c_4b7c_ab_4c:Br-Cl-Cs-Mo, expected Cs2Mo12(Br3Cl5)5 to be CsMo3Br3Cl4" +mp-1112412,Rb2TmCuCl6,-4.302295805,-2.1395627852,0.0329434983,0.0329434983,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Tm +mp-1114014,Rb2NaSmCl6,-4.356441963,-2.4471020097,0.015376247,0.015376247,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sm +mp-34292,Tl9SbTe6,-3.2103585869,-0.4445695294,0.0,-0.0034743835,GGA,I4,AB6C9_tI32_79_a_2ac_a2c:Sb-Te-Tl,16.0,"Invalid WP multiplicities - AB6C9_tI32_79_a_2a2c_a6c:Sb-Te-Tl, expected Tl25SbTe10 to be Tl9SbTe6" +mp-686086,Tl9SbTe6,-3.2067617769,-0.4409727194,0.00359681,0.0001224265,GGA,P4/m,AB6C9_tP96_83_abgh_3g3hjk2l_cdgh6l:Sb-Te-Tl,96.0,"Invalid WP multiplicities - AB6C9_tP96_83_ab2g2h_6g5h3j4k15l_cd2g2h46l:Sb-Te-Tl, expected Tl189(SbTe17)5 to be Tl9SbTe6" +mp-1101036,Tl9SbTe6,-3.2084092707,-0.4426202132,0.0019493161,-0.0015250673,GGA,P4/n,AB6C9_tP160_85_5c_10c5g_5c10g:Sb-Te-Tl,160.0,"Invalid WP multiplicities - AB6C9_tP160_85_10c_20c32g_10c69g:Sb-Te-Tl, expected Tl143Sb5Te74 to be Tl9SbTe6" +mp-1227407,Bi2Sb2Te3,-3.9128184886,-0.2886901429,0.0767501943,0.0767501943,GGA,R-3m,A2B2C3_hR21_166_c_c_ac:Bi-Sb-Te,7.0,A2B2C3_hR21_166_c_c_ac:Bi-Sb-Te +mp-1216579,Tl2BiSbTe4,-3.6445958862,-0.4860958567,0.00251596,0.00251596,GGA,P2/m,ABC4D2_mP8_10_b_d_mn_ch:Bi-Sb-Te-Tl,8.0,"Invalid WP multiplicities - ABC4D2_mP8_10_b_g_2m2n_ce:Bi-Sb-Te-Tl, expected Tl2BiSbTe8 to be Tl2BiSbTe4" +mp-634989,TlSbTe2,-3.284362005,-0.0897979617,0.351945135,0.3206772992,GGA,C2/m,AB2C_mC8_12_a_i_c:Sb-Te-Tl,4.0,AB2C_mC8_12_a_i_c:Sb-Te-Tl +mp-4573,TlSbTe2,-3.63630714,-0.4417430967,0.0,-0.0312678358,GGA,R-3m,AB2C_hR12_166_a_c_b:Sb-Te-Tl,4.0,AB2C_hR12_166_a_c_b:Sb-Te-Tl +mp-1227414,Bi(SbTe2)3,-3.914572175,-0.405839354,0.008833785,0.008833785,GGA,Cm,AB3C6_mC20_8_a_3a_6a:Bi-Sb-Te,10.0,AB3C6_mC20_8_a_3a_6a:Bi-Sb-Te +mp-1227403,Bi(SbTe2)3,-3.921308824,-0.412576003,0.002097136,0.002097136,GGA,R3m,AB3C6_hR30_160_a_3a_6a:Bi-Sb-Te,10.0,AB3C6_hR30_160_a_3a_6a:Bi-Sb-Te +mp-1227340,BiSbTe3,-3.921487398,-0.441605788,0.004540644,0.004540644,GGA,R3m,ABC3_hR15_160_a_a_3a:Bi-Sb-Te,5.0,ABC3_hR15_160_a_a_3a:Bi-Sb-Te +mp-1227463,BiSbTe2,-3.9128131158,-0.3487875767,0.052091756,0.052091756,GGA,P3m1,ABC2_hP12_156_2ab_2ac_3b3c:Bi-Sb-Te,12.0,ABC2_hP12_156_2ab_2ac_3b3c:Bi-Sb-Te +mp-1112906,Cs2HgBiCl6,-3.354768384,-1.6521489641,0.0697988213,0.0697988213,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Hg +mp-1112134,Cs2RbAsBr6,-3.29941497,-1.6245522498,0.0,-0.0021026135,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Rb +mp-1111784,CsRb2AsBr6,-3.240258439,-1.5568825488,0.0617578343,0.0617578343,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Cs-Rb +mp-1111713,Rb2TlAuBr6,-2.999485318,-1.3079089908,0.049871473,0.049871473,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Tl +mp-1229008,AgSbSe2,-3.8444281975,-0.3560831478,0.0648309719,0.0648309719,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Sb-Se,4.0,ABC2_tP4_123_a_d_bc:Ag-Sb-Se +mp-33683,AgSbSe2,-3.8884779238,-0.4001328741,0.0207812456,0.0207812456,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Sb-Se,8.0,ABC2_tI16_141_a_b_e:Ag-Sb-Se +mp-1229000,AgSbSe2,-3.896245725,-0.4079006753,0.0130134444,0.0130134444,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Sb-Se,4.0,ABC2_hR12_166_a_b_c:Ag-Sb-Se +mp-1223987,InAg2SbSe4,-3.7928321387,-0.4766517778,0.0616581334,0.0616581334,GGA,I-4m2,A2BCD4_tI16_119_ac_b_d_ef:Ag-In-Sb-Se,8.0,"Invalid WP multiplicities - A2BCD4_tI16_119_ac_b_d_2e2f:Ag-In-Sb-Se, expected InAg2SbSe8 to be InAg2SbSe4" +mp-1224057,In2Ag3SbSe6,-3.7724712225,-0.5136790912,0.0637627506,0.0637627506,GGA,P-3m1,A3B2CD6_hP12_164_ad_d_b_c2d:Ag-In-Sb-Se,12.0,"Invalid WP multiplicities - A3B2CD6_hP12_164_ad_d_b_2c4d:Ag-In-Sb-Se, expected In2Ag3SbSe12 to be In2Ag3SbSe6" +mp-1200228,HoMnSn2,-5.8080017077,-0.3671097397,0.0650580191,0.0650580191,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Ho-Mn-Sn,48.0,ABC2_oP48_55_gi_ei_2g2hi:Ho-Mn-Sn +mp-20630,Ho(MnSn)6,-6.5700431254,-0.1383560675,0.0,-0.0044991325,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Ho-Mn-Sn,13.0,"Invalid WP multiplicities - AB6C6_hP13_191_a_i_c2d2e:Ho-Mn-Sn, expected Ho(Mn3Sn5)2 to be Ho(MnSn)6" +mp-1212048,HoMn6(Sn2Ge)2,-6.7523542069,-0.2262893029,0.0,-0.017572585,GGA,P6/mmm,A2BC6D4_hP13_191_c_a_i_de:Ge-Ho-Mn-Sn,13.0,A2BC6D4_hP13_191_c_a_i_de:Ge-Ho-Mn-Sn +mp-1097233,NaGaHg2,-0.6200989825000001,0.6193965290000001,0.8050236631000001,0.8050236631000001,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Hg-Na,4.0,AB2C_oI8_71_a_e_b:Ga-Hg-Na +mp-1111661,Na2GaHgCl6,-3.121853072,-1.4150483786,0.253335055,0.253335055,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-Na +mp-1209004,Sc2TlCu3Se5,-5.1764825295,-1.1033226427,0.000997128,0.000997128,GGA,Cmcm,A3B2C5D_oC44_63_cf_f_c2f_c:Cu-Sc-Se-Tl,22.0,A3B2C5D_oC44_63_cf_f_c2f_c:Cu-Sc-Se-Tl +mp-1096057,Sc2TlCu,-2.68414018,2.0975568267,2.3074084611,2.3074084611,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Cu-Sc-Tl +mp-13313,ScTlSe2,-5.411225485,-1.4894916833,0.0,-0.0756044837,GGA,R-3m,AB2C_hR12_166_a_c_b:Sc-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Sc-Se-Tl +mp-1097075,ScTlCu2,-2.4660722425,1.7573091554,1.9519490417,1.9519490417,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Sc-Tl,4.0,A2BC_oI8_71_e_a_b:Cu-Sc-Tl +mp-973957,La2ZnAg,-3.770327345,-0.2792488892,0.0057366025,0.0057366025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-La-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-La-Zn +mp-1207354,La2AgAs3,-2.4251684467,2.0218191247,3.0986472498,3.0986472498,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Ag-As-La,6.0,AB3C2_tP6_123_a_bg_g:Ag-As-La +mp-1223054,La2ZnAs4,-5.1788594886,-0.9262549971,0.034276692,0.034276692,GGA,I-4m2,A4B2C_tI14_119_ef_f_a:As-La-Zn,7.0,A4B2C_tI14_119_ef_f_a:As-La-Zn +mp-1198391,LaAgAs2,-5.1050995022,-0.8333995226,0.0,-0.0362842139,GGA,Pbcm,AB2C_oP32_57_2c_2de_2d:Ag-As-La,32.0,AB2C_oP32_57_2c_2de_2d:Ag-As-La +mp-1223379,LaAgAs2,-4.9482958587,-0.6765958792,0.1568036434,0.1205194296,GGA,Pbcm,AB2C_oP32_57_cd_2de_2d:Ag-As-La,32.0,AB2C_oP32_57_cd_2de_2d:Ag-As-La +mp-866648,La(ZnAs)3,-3.8269657082,-0.5851666868000001,0.0,-0.0326680053,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:As-La-Zn,28.0,A3BC3_oP28_62_3c_c_3c:As-La-Zn +mp-1222706,LaZnAgAs2,-4.359875818,-0.6905671123,0.0132419249,0.0132419249,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-As-La-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-As-La-Zn +mp-1093913,LaZnAg2,-1.479032115,1.4861835654,1.763618389,1.763618389,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-La-Zn,4.0,A2BC_oI8_71_e_a_b:Ag-La-Zn +mp-1185092,LaZn2Ag,-2.85355532,-0.2815427379,0.04481189,0.04481189,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-La-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-La-Zn +mp-1226330,Cr8Ga3CuSe16,-6.0230692132,-0.7965528511000001,0.0120881518,0.0120881518,GGA,P-4m2,A8BC3D16_tP28_115_jk_a_cg_2j2k:Cr-Cu-Ga-Se,28.0,"Invalid WP multiplicities - A8BC3D16_tP28_115_3j4k_a_cg_7j8k:Cr-Cu-Ga-Se, expected Cr28Ga3CuSe60 to be Cr8Ga3CuSe16" +mp-1226304,Cr4GaCuSe8,-6.0667764193,-0.8020061054000001,0.0,-0.0165906018,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ga-Se,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ga-Se +mp-1217928,TaNb(Cu3Se4)2,-5.4073660537,-0.7497651468000001,0.0011460387,0.0011460387,GGA,F-43m,A6BC8D_cF64_216_f_a_2e_b:Cu-Nb-Se-Ta,16.0,"Invalid WP multiplicities - A6BC8D_cF64_216_f_a_8e_b:Cu-Nb-Se-Ta, expected TaNb(Cu3Se16)2 to be TaNb(Cu3Se4)2" +mp-1069603,LaAl3Au,-4.54990877,-0.660585451,0.0,-0.1366107667,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Au-La,5.0,A3BC_tI10_107_ab_a_a:Al-Au-La +mp-1101778,LaAlAu,-4.7203421792,-0.7351872008,0.0,-0.0017910769,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-La,12.0,ABC_oP12_62_c_c_c:Al-Au-La +mp-1225911,La5Al15Cu2Au3,-4.5458389896,-0.5904896970000001,0.0,-0.002262646,GGA,I4mm,A15B3C2D5_tI50_107_5a5b_3a_2a_5a:Al-Au-Cu-La,25.0,"Invalid WP multiplicities - A15B3C2D5_tI50_107_5a10b_3a_2a_5a:Al-Au-Cu-La, expected La5Al25Cu2Au3 to be La5Al15Cu2Au3" +mp-1225915,La2Al6CuAu,-4.540429215,-0.5685734290000001,0.0034495603,0.0034495603,GGA,P4mm,A6BCD2_tP10_99_ab2c_a_b_ab:Al-Au-Cu-La,10.0,"Invalid WP multiplicities - A6BCD2_tP10_99_ab4c_a_b_ab:Al-Au-Cu-La, expected La2Al10CuAu to be La2Al6CuAu" +mp-1223196,La5Al15Cu4Au,-4.5367482572,-0.515372991,0.0012498753,0.0012498753,GGA,I4mm,A15BC4D5_tI50_107_5a5b_a_4a_5a:Al-Au-Cu-La,25.0,"Invalid WP multiplicities - A15BC4D5_tI50_107_5a10b_a_4a_5a:Al-Au-Cu-La, expected La5Al25Cu4Au to be La5Al15Cu4Au" +mp-1210482,Pr2InCuSe5,-5.2596002211,-1.4937936324,0.008316716,0.008316716,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Pr-Se,36.0,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Pr-Se +mp-1220295,Pr4In5Cu19,-4.1556831389,-0.1997199818,0.0084144662,0.0084144662,GGA,Pm,A19B5C4_mP28_6_5a6b4c_3a2b_2a2b:Cu-In-Pr,28.0,"Invalid WP multiplicities - A19B5C4_mP28_6_5a6b8c_3a2b_2a2b:Cu-In-Pr, expected Pr4In5Cu27 to be Pr4In5Cu19" +mp-1209796,PrInCu5,-4.2039307175,-0.1998417411,0.0,-0.0146554172,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-In-Pr,28.0,A5BC_oP28_62_3cd_c_c:Cu-In-Pr +mp-1079498,Pr2InCu2,-4.420195966,-0.31781425,0.0,-0.006972375,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Pr,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Pr +mp-1080085,PrInCu,-4.2515331711,-0.3742677861,0.0,-0.0132980164,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-In-Pr,9.0,ABC_hP9_189_ad_g_f:Cu-In-Pr +mp-1219909,Pr2In3Cu,-4.0596170783,-0.40693885,0.0352818417,0.0352818417,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-In-Pr,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-In-Pr +mp-1219982,Pr2In3Cu,-4.0687943667,-0.4161161383,0.0261045534,0.0261045534,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-In-Pr,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-In-Pr +mp-1210043,PrIn2Cu9,-4.0598870208,-0.1284592504,0.007464748,0.007464748,GGA,P4/mbm,A9B2C_tP24_127_cjk_g_a:Cu-In-Pr,24.0,A9B2C_tP24_127_cjk_g_a:Cu-In-Pr +mp-1220006,Pr(InCu)6,-3.6665796315,-0.136868235,0.0107685451,0.0107685451,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Pr,13.0,A6B6C_oI26_71_fk_egh_a:Cu-In-Pr +mp-21148,PrInCu2,-4.20702224,-0.2742715337,0.0236848577,0.0236848577,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Pr,4.0,A2BC_cF16_225_c_a_b:Cu-In-Pr +mp-1221285,Pr2(InCu3)3,-4.1002236234,-0.1923862855,0.0240408694,0.0240408694,GGA,Pnnm,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-Pr,56.0,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-Pr +mp-1023299,LaMg6Al,-2.2788736094,0.006534295,0.1470581421,0.1470581421,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-La-Mg, expected LaMg12Al to be LaMg6Al" +mp-1023325,LaMg6Al,-2.3008748912,-0.0154669869,0.1250568602,0.1250568602,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:Al-La-Mg +mp-1027961,LaMg14Fe,-2.1315321188,0.1065896947,0.1515882856,0.1515882856,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Fe-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Fe-La-Mg, expected LaMg18Fe to be LaMg14Fe" +mp-1027974,LaMg14Fe,-2.0748357244,0.1632860891,0.20828468,0.20828468,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Fe-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Fe-La-Mg, expected LaMg26Fe to be LaMg14Fe" +mp-1195406,LaMgAl7Fe2,-4.8878124259,-0.3700523909,0.0076995131,0.0076995131,GGA,Pbam,A7B2CD_oP44_55_adg5h_2g_g_g:Al-Fe-La-Mg,44.0,A7B2CD_oP44_55_adg5h_2g_g_g:Al-Fe-La-Mg +mp-1022235,LaMg6Fe,-2.684133975,0.1918296019,0.2657189065,0.2657189065,GGA,Amm2,ABC6_oC16_38_a_b_abde:Fe-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Fe-La-Mg, expected LaMg12Fe to be LaMg6Fe" +mp-1022315,LaMg6Fe,-2.7060882488,0.1698753281,0.2437646328,0.2437646328,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Fe-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Fe-La-Mg, expected LaMg12Fe to be LaMg6Fe" +mp-1223215,La2MgAl3,-4.1833259033,-0.398488945,0.0107078326,0.0107078326,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-La-Mg,6.0,A3B2C_hR18_166_d_c_a:Al-La-Mg +mp-1028385,LaMg14Al,-1.9468067962,-0.0039628191,0.0782547541,0.0782547541,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-La-Mg, expected LaMg18Al to be LaMg14Al" +mp-1028212,LaMg14Al,-1.9200941387,0.0227498384,0.1049674116,0.1049674116,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-La-Mg, expected LaMg26Al to be LaMg14Al" +mp-640898,La6Mg22Al,-2.44503626,-0.0806300683,0.0503499645,0.0503499645,GGA,Fm-3m,AB6C22_cF116_225_a_e_d2f:Al-La-Mg,29.0,"Invalid WP multiplicities - AB6C22_cF116_225_a_e_3d13f:Al-La-Mg, expected La6Mg122Al to be La6Mg22Al" +mp-1097602,La2MgAl,-1.5896513625000002,2.21481616,2.4756707669,2.4756707669,GGA,Immm,AB2C_oI8_71_a_e_b:Al-La-Mg,4.0,AB2C_oI8_71_a_e_b:Al-La-Mg +mp-1223211,La2MgAl,-4.044430555,-0.2399630325,0.0208915744,0.0208915744,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-La-Mg,4.0,AB2C_tP4_123_a_h_b:Al-La-Mg +mp-1185014,La2MgAl,-4.0505844525,-0.24611693,0.0147376769,0.0147376769,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-La-Mg,4.0,AB2C_cF16_225_a_c_b:Al-La-Mg +mp-1185176,La(Mg4Al3)4,-2.6662981783,-0.0632844588,0.0237804251,0.0237804251,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-La-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a8b4c:Al-La-Mg, expected LaMg49Al48 to be La(Mg4Al3)4" +mp-972924,La(Mg4Al3)4,-2.671416619,-0.0684028995,0.0186619844,0.0186619844,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-La-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c5g:Al-La-Mg, expected La(Mg19Al3)4 to be La(Mg4Al3)4" +mp-1222857,LaMg11Al,-2.0869185,-0.0650213088,0.0306515583,0.0306515583,GGA,C2/m,ABC11_mC26_12_b_c_af2j:Al-La-Mg,13.0,ABC11_mC26_12_a_c_be2j:Al-La-Mg +mp-1211236,La(Mg2Al)4,-2.6320115531,-0.115046105,0.0459622293,0.0459622293,GGA,I4/mmm,A4BC8_tI26_139_f_a_ij:Al-La-Mg,13.0,A4BC8_tI26_139_f_a_ij:Al-La-Mg +mp-1220293,Nd2CuSi3Rh2,-6.2579923875,-0.6779834669,0.2083388975,0.2067163119,GGA,Amm2,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Nd-Rh-Si,8.0,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Nd-Rh-Si +mp-1220386,Nd2CuSi3Rh2,-6.466331285,-0.8863223644,0.0,-0.0016225856,GGA,Amm2,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Nd-Rh-Si,8.0,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Nd-Rh-Si +mp-978532,CuSiRh2,-6.59347902,-0.53019391,0.0071784719,0.0071784719,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Rh-Si,4.0,AB2C_cF16_225_a_c_b:Cu-Rh-Si +mp-1226681,CeAl4Cu2Si,-4.6079833925,-0.2905929119,0.0733300278,0.0733300278,GGA,Pmm2,A4BC2D_oP8_25_ab2d_c_bc_a:Al-Ce-Cu-Si,8.0,A4BC2D_oP8_25_ab2d_c_bc_a:Al-Ce-Cu-Si +mp-8655,SmSiRu,-7.2473151667,-0.774546265,0.0,-0.0162430785,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ru-Si-Sm,6.0,ABC_tP6_129_a_c_c:Ru-Si-Sm +mp-1207324,Sm2Si2Ru,-5.009748152,0.902694022,1.6705028705,1.6705028705,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Ru-Si-Sm,5.0,AB2C2_tP5_123_a_g_g:Ru-Si-Sm +mp-4072,Sm(SiRu)2,-7.698024472,-0.874419017,0.0,-0.1519861431,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-Sm +mp-505681,Sm2Si5Ru3,-6.9611227822,-0.5224257783,0.289435342,0.2294425424,GGA,P4/mnc,A3B5C2_tP40_128_ch_egh_h:Ru-Si-Sm,40.0,A3B5C2_tP40_128_ch_egh_h:Ru-Si-Sm +mp-697708,Sm2Si5Ru3,-7.2505581243,-0.8118611203,0.0,-0.0599927996,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Ru-Si-Sm,40.0,A3B5C2_tP40_128_dh_egh_h:Ru-Si-Sm +mp-862778,AlSiRu2,-7.6435374225,-0.7136126875000001,0.0,-0.0700751769,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ru-Si,4.0,AB2C_cF16_225_a_c_b:Al-Ru-Si +mp-1208914,Sm3(Al3Ru)4,-5.7179439376,-0.6547713837,0.0,-0.0333481972,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Sm,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-Sm +mp-1208900,Sm(Al5Ru)2,-5.1922455712,-0.52123407,0.0,-0.0338659215,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Sm,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-Sm +mp-1208957,Sm3(SiRu)2,-6.8975346711,-0.6753633075000001,0.0,-0.003876977,GGA,Pbcm,A2B2C3_oP28_57_e_cd_de:Ru-Si-Sm,28.0,A2B2C3_oP28_57_e_cd_de:Ru-Si-Sm +mp-1206515,SmSi2Ru3,-7.8669526233,-0.6348809875,0.0938015267,0.0938015267,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ru-Si-Sm,6.0,A3B2C_hP6_191_g_c_a:Ru-Si-Sm +mp-1219273,Sm8Al53Si17Ru12,-5.3735440326,-0.4870168652,0.0,-0.0042659852,GGA,P1,A53B12C17D8_aP90_1_53a_12a_17a_8a:Al-Ru-Si-Sm,90.0,A53B12C17D8_aP90_1_53a_12a_17a_8a:Al-Ru-Si-Sm +mp-1111135,Na2CuBiBr6,-3.191736458,-1.2014448213,0.164120099,0.164120099,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-Na +mp-570277,Tb8CrTe13Cl,-5.422278703,-1.5336052446,0.0669640028,0.0669640028,GGA,Cmc2_1,ABC8D13_oC92_36_a_a_8a_13a:Cl-Cr-Tb-Te,46.0,"Invalid WP multiplicities - ABC8D13_oC92_36_a_a_16a_24a:Cl-Cr-Tb-Te, expected Tb16CrTe24Cl to be Tb8CrTe13Cl" +mp-1113921,Na2LiErCl6,-4.273905182,-2.2526139596,0.1185496568,0.1185496568,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Li-Na +mp-1189860,Ba2DyInTe5,-4.5143666156,-1.524038847,0.0108609801,0.0108609801,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-In-Te,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Dy-In-Te +mp-1110719,Rb2CuSbBr6,-3.330797104,-1.3800525005,0.0406925442,0.0406925442,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Sb +mp-1111782,CsRb2ErCl6,-4.280664892,-2.4291239633,0.0858993272,0.0858993272,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Er-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Er-Rb +mp-1112127,Cs2RbErCl6,-4.350171021,-2.5071432623,0.0165467978,0.0165467978,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Rb +mp-1221791,Mn2Sb2PtAu,-6.2294624833,-0.241621086,0.0380415786,0.0380415786,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Au-Mn-Pt-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Au-Mn-Pt-Sb +mp-5944,MnSbAu,-5.5348110467,-0.0131782026,0.1001317076,0.1001317076,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Mn-Sb,3.0,ABC_cF12_216_c_a_b:Au-Mn-Sb +mp-567480,MnSbPt,-6.5110433767,-0.056993426,0.3711242367,0.2978676991,GGA,F-43m,ABC_cF12_216_a_b_c:Mn-Pt-Sb,3.0,ABC_cF12_216_a_b_c:Mn-Pt-Sb +mp-5676,MnSbPt,-6.8821676133,-0.4281176626,0.0,-0.0732565376,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Mn-Pt-Sb +mp-672356,MnSbPt,-6.6159854633,-0.1619355126,0.26618215,0.1929256124,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Pt-Sb,3.0,ABC_cF12_216_c_a_b:Mn-Pt-Sb +mp-1110689,Rb2CuMoBr6,-3.921996953,-1.2995874625,0.0932979937,0.0932979937,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Mo-Rb +mp-1226740,CdSnTe2,-3.284748365,-0.4799800146,0.103253965,0.103253965,GGA,R-3m,ABC2_hR12_166_a_b_c:Cd-Sn-Te,4.0,ABC2_hR12_166_a_b_c:Cd-Sn-Te +mp-1091413,CdCu2SnTe4,-3.6425353325,-0.4295230165,0.011259656,0.011259656,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Sn-Te,8.0,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Sn-Te +mp-1113660,Rb2NdAuCl6,-4.125456388,-2.0160246342,0.1369313799,0.1369313799,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Nd-Rb +mp-1113336,Cs2TaCuCl6,-4.485535065,-1.6016341646,0.260174936,0.260174936,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Ta +mp-568252,Rb2Hg2PdCl8,-3.1403906015,-1.4068056812,0.0,-0.0073090827,GGA,C2/m,A8B2CD2_mC26_12_2ij_i_a_i:Cl-Hg-Pd-Rb,13.0,"Invalid WP multiplicities - A8B2CD2_mC26_12_4i3j_i_a_i:Cl-Hg-Pd-Rb, expected Rb2Hg2PdCl20 to be Rb2Hg2PdCl8" +mp-1025201,Rb2PdCl4,-3.8098878986,-1.7334455279,0.0,-0.0655067686,GGA,P4/mmm,A4BC2_tP7_123_j_a_e:Cl-Pd-Rb,7.0,A4BC2_tP7_123_j_a_e:Cl-Pd-Rb +mp-1113297,Rb2EuCuCl6,-4.800402825,-2.0595531675,0.0,-0.0232072564,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-Rb +mp-1110708,Rb2LiSbBr6,-3.37518934,-1.6434731168,0.0329091018,0.0329091018,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Sb +mp-1110729,Rb3SbBr6,-3.28677617,-1.6478988262,0.0670217608,0.0670217608,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Rb-Sb,10.0,A6B3C_cF40_225_e_ac_b:Br-Rb-Sb +mp-1194576,Rb3Sb2Br9,-3.3608570382,-1.5625099191,0.0,-0.0627744243,GGA,P2_1/c,A9B3C2_mP56_14_9e_3e_2e:Br-Rb-Sb,56.0,A9B3C2_mP56_14_9e_3e_2e:Br-Rb-Sb +mp-28222,Rb3Sb2Br9,-3.3495540457,-1.5512069266,0.0113029925,-0.0514714318,GGA,P-3m1,A9B3C2_hP14_164_ei_ad_d:Br-Rb-Sb,14.0,"Invalid WP multiplicities - A9B3C2_hP14_164_e2i_ad_d:Br-Rb-Sb, expected Rb3Sb2Br15 to be Rb3Sb2Br9" +mp-540811,Rb2SbBr6,-3.2554226381,-1.5433960419,0.0021497753,-0.08864479,GGA,I4_1/amd,A6B2C_tI72_141_2e2h_f_ab:Br-Rb-Sb,36.0,"Invalid WP multiplicities - A6B2C_tI72_141_7e13h_f_2ab:Br-Rb-Sb, expected Rb4(SbBr22)3 to be Rb2SbBr6" +mp-568477,Rb2SbBr6,-3.2570222081,-1.5449956119,0.0005502053,-0.09024436,GGA,I4_1/a,A6B2C_tI72_88_2e2f_f_ab:Br-Rb-Sb,36.0,"Invalid WP multiplicities - A6B2C_tI72_88_7e11f_f_ab:Br-Rb-Sb, expected Rb2SbBr29 to be Rb2SbBr6" +mp-866668,Rb2SbBr6,-3.2575724133,-1.5455458172,0.0,-0.0907945653,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Rb-Sb,9.0,A6B2C_cF36_225_e_c_a:Br-Rb-Sb +mp-1216952,Tl4SbAs3Se8,-3.7005157356,-0.2302519317,0.2718815976,0.2718815976,GGA,Pmmm,A3BC8D4_oP16_47_el_f_2i2j_cdi:As-Sb-Se-Tl,16.0,"Invalid WP multiplicities - A3BC8D4_oP16_47_e2l_f_3i4j_cd2i:As-Sb-Se-Tl, expected Tl6SbAs5Se14 to be Tl4SbAs3Se8" +mp-7684,Tl3AsSe3,-3.6937784871,-0.5173810189,0.0,-0.0314658323,GGA,R3m,AB3C3_hR21_160_a_b_b:As-Se-Tl,7.0,AB3C3_hR21_160_a_b_b:As-Se-Tl +mp-30236,TlAsSe2,-3.9840484095,-0.4806522828,0.0,-0.0115874258,GGA,P2_1/c,AB2C_mP64_14_4e_8e_4e:As-Se-Tl,64.0,"Invalid WP multiplicities - AB2C_mP64_14_5e_12e_4e:As-Se-Tl, expected Tl4As5Se12 to be TlAsSe2" +mp-1201566,Tl3AsSe4,-3.7341363725,-0.5177996530000001,0.0,-0.0177826176,GGA,Pnma,AB4C3_oP32_62_c_2cd_cd:As-Se-Tl,32.0,AB4C3_oP32_62_c_2cd_cd:As-Se-Tl +mp-1203208,Cs3Hf2CuTe10,-4.6234627425,-0.9901595688,0.0,-0.0517078244,GGA,P-1,A3BC2D10_aP32_2_3i_i_2i_10i:Cs-Cu-Hf-Te,32.0,A3BC2D10_aP32_2_3i_i_2i_10i:Cs-Cu-Hf-Te +mp-3650,HfCu2Te3,-5.2800528067,-0.6824661317,0.0,-0.0381076658,GGA,C2/m,A2BC3_mC24_12_2i_i_3i:Cu-Hf-Te,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_2i_i_6i:Cu-Hf-Te, expected Hf(CuTe3)2 to be HfCu2Te3" +mp-16905,Ba2MnTe3,-5.1986730733,-1.4603592647,0.0,-0.0235123144,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Mn-Te,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_2c_c_6c:Ba-Mn-Te, expected Ba2MnTe6 to be Ba2MnTe3" +mp-1221977,Mn4Te3Se,-6.5485992175,-0.3518629268,0.0239972876,0.0239972876,GGA,P-6m2,A4BC3_hP8_187_2h_a_bi:Mn-Se-Te,8.0,"Invalid WP multiplicities - A4BC3_hP8_187_3h_a_bi:Mn-Se-Te, expected Mn6Te3Se to be Mn4Te3Se" +mp-1221790,Mn2TeSe,-6.6448274925,-0.4040155037,0.0443133909,0.0443133909,GGA,R-3m,A2BC_hR12_166_c_a_b:Mn-Se-Te,4.0,A2BC_hR12_166_c_a_b:Mn-Se-Te +mp-1228544,Ba2MnTeSe2,-5.5307687671,-1.6749197636000002,0.0,-0.0063801326,GGA,Pnma,A2BC2D_oP24_62_2c_c_2c_c:Ba-Mn-Se-Te,24.0,A2BC2D_oP24_62_2c_c_2c_c:Ba-Mn-Se-Te +mp-1221758,Mn3Te2Se,-6.5555441367,-0.3441159466,0.0559004945,0.0559004945,GGA,Immm,A3BC2_oI12_71_ae_c_f:Mn-Se-Te,6.0,A3BC2_oI12_71_ae_c_f:Mn-Se-Te +mp-1213648,CsTmMnSe3,-5.7298775683,-1.5597129816000002,0.0,-0.0773138631,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Tm,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Tm +mp-1191301,RbGa2Au3,-3.1439796013,-0.334250915,0.0,-0.0732647222,GGA,Pnma,A3B2C_oP24_62_3c_d_c:Au-Ga-Rb,24.0,A3B2C_oP24_62_3c_d_c:Au-Ga-Rb +mp-1111038,Rb2GaAuCl6,-3.497382769,-1.5619561562,0.1535660621,0.1535660621,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Ga-Rb +mp-1221883,Mn2InAgTe4,-4.9610120313,-0.4008252949,0.0,-0.0003954779,GGA,I-42m,ABC2D4_tI16_121_a_b_d_i:Ag-In-Mn-Te,8.0,ABC2D4_tI16_121_a_b_d_i:Ag-In-Mn-Te +mp-1223718,InGe2SbTe5,-3.8946329733,-0.3564918459,0.0395420869,0.0395420869,GGA,P3m1,A2BCD5_hP9_156_2a_b_c_a2b2c:Ge-In-Sb-Te,9.0,A2BCD5_hP9_156_2a_b_c_a2b2c:Ge-In-Sb-Te +mp-37501,In10Sb9Te,-3.4964355795,-0.1053778618,0.132797901,0.132797901,GGA,P-1,A10B9C_aP20_2_5i_a4i_c:In-Sb-Te,20.0,"Invalid WP multiplicities - A10B9C_aP20_2_9i_a6i_c:In-Sb-Te, expected In18Sb13Te to be In10Sb9Te" +mp-676518,In3SbTe2,-3.4232807133,-0.3115033439,0.09142938,0.09142938,GGA,Pmmn,A3BC2_oP12_59_3a_a_2a:In-Sb-Te,12.0,"Invalid WP multiplicities - A3BC2_oP12_59_4a_a_3a:In-Sb-Te, expected In4SbTe3 to be In3SbTe2" +mp-1223976,In3SbTe2,-3.4801777783,-0.3684004089,0.034532315,0.034532315,GGA,Immm,A3BC2_oI12_71_ae_c_f:In-Sb-Te,6.0,A3BC2_oI12_71_ae_c_f:In-Sb-Te +mp-1224005,In3SbTe2,-3.4644914883,-0.3527141189,0.050218605,0.050218605,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:In-Sb-Te,6.0,A3BC2_hP6_164_ad_b_d:In-Sb-Te +mp-1223647,InGeTe2,-3.818756605,-0.4034257621,0.0238756818,0.0238756818,GGA,R-3m,ABC2_hR12_166_a_b_c:Ge-In-Te,4.0,ABC2_hR12_166_a_b_c:Ge-In-Te +mp-685941,In4SbTe3,-3.4757117525,-0.4050050225,0.0221566662,0.0221566662,GGA,Cm,A4BC3_mC16_8_2ab_a_ab:In-Sb-Te,8.0,A4BC3_tI16_139_ce_a_bd:In-Sb-Te +mp-937920,In4SbTe3,-3.4800852812,-0.4093785512,0.0177831375,0.0177831375,GGA,I4/mmm,A4BC3_tI16_139_ce_a_bd:In-Sb-Te,8.0,A4BC3_tI16_139_ce_a_bd:In-Sb-Te +mp-1223874,In4GeSb2Te,-3.5992327962,-0.2203489027,0.0149017341,0.0149017341,GGA,I-42m,AB4C2D_tI16_121_a_i_d_b:Ge-In-Sb-Te,8.0,AB4C2D_tI16_121_a_i_d_b:Ge-In-Sb-Te +mp-1223951,In3SbTe4,-3.43118722,-0.3115277196,0.1768179532,0.1768179532,GGA,I422,A3BC4_tI16_97_ac_b_j:In-Sb-Te,8.0,A3BC4_tI16_97_ac_b_j:In-Sb-Te +mp-1113554,Cs2InAgBr6,-3.196848984,-1.5275275383,0.0,-0.0179276383,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-In +mp-1111184,Na2InAgBr6,-3.011781067,-1.257035037,0.1544054295,0.1544054295,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-Na +mp-542681,Na3In2Ag,-2.1946997992,-0.1441165752,0.0,-0.0239761234,GGA,Fd-3m,AB2C3_cF96_227_c_e_f:Ag-In-Na,24.0,AB2C3_cF96_227_c_e_f:Ag-In-Na +mp-976326,NaInAg2,-2.50704264,-0.0722123825,0.0155749337,0.0155749337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-In-Na,4.0,A2BC_cF16_225_c_a_b:Ag-In-Na +mp-1095961,NaIn2Ag,-1.396997405,1.0176147842,1.1005059079,1.1005059079,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-In-Na,4.0,AB2C_oI8_71_a_e_b:Ag-In-Na +mp-1202368,Nd5Zr3(Ni4As3)4,-6.3244007097,-0.8278605210000001,0.0,-0.0514466672,GGA,P-62m,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Nd-Ni-Zr,36.0,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Nd-Ni-Zr +mp-1206685,NdNiAs,-6.09140122,-1.0222670475,0.0046303842,-0.02009704,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Nd-Ni,3.0,ABC_hP3_187_a_d_e:As-Nd-Ni +mp-1209847,NdNiAs,-6.0960316042,-1.0268974317,0.0,-0.0247274242,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Nd-Ni,12.0,ABC_hP12_194_f_ab_f:As-Nd-Ni +mp-20836,Nd(NiAs)2,-5.955490955,-0.8261594345000001,0.0,-0.043956384,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Nd-Ni,10.0,A2BC2_tP10_129_ac_c_bc:As-Nd-Ni +mp-567723,Nd(NiAs)2,-5.927367966,-0.7980364455000001,0.028122989,-0.015833395,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Nd-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Nd-Ni +mp-1191002,Nd2Ni12As7,-5.8382532676,-0.5281692743,0.0,-0.0145487192,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Nd-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Nd-Ni +mp-35630,Pr2CdSe4,-5.1944385371,-1.6989603685,0.0947206184,0.0947206184,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Pr-Se,14.0,AB2C4_tI28_122_a_d_e:Cd-Pr-Se +mp-11118,CsPrCdSe3,-4.4405618958,-1.5927398425,0.0,-0.1024718018,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Pr-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Cd-Cs-Pr-Se, expected CsPrCdSe5 to be CsPrCdSe3" +mp-1221819,Mn2SnSbPd4,-6.2642716637,-0.3665052989,0.0272432325,0.0272432325,GGA,R-3m,A2B4CD_hR24_166_c_2c_a_b:Mn-Pd-Sb-Sn,8.0,"Invalid WP multiplicities - A2B4CD_hR24_166_c_3c_a_b:Mn-Pd-Sb-Sn, expected Mn2SnSbPd6 to be Mn2SnSbPd4" +mp-10231,LiMnSe2,-5.31871252,-0.8030222415,0.1124680371,0.1124680371,GGA,P3m1,ABC2_hP4_156_b_a_ac:Li-Mn-Se,4.0,ABC2_hP4_156_b_a_ac:Li-Mn-Se +mp-1192737,Li4MnSn2Se7,-4.5404403589,-1.0198524438,0.0,-0.0187802944,GGA,Cc,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Mn-Se-Sn,28.0,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Mn-Se-Sn +mp-676780,LiMn9Se10,-6.641268819,-0.6749600554,0.0,-0.0183270578,GGA,P-1,AB9C10_aP20_2_a_c4i_5i:Li-Mn-Se,20.0,"Invalid WP multiplicities - AB9C10_aP20_2_a_c6i_8i:Li-Mn-Se, expected LiMn13Se16 to be LiMn9Se10" +mp-1095291,Li2SnSe3,-4.1188809525,-1.0663556156,0.0,-0.0156268767,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Li-Se-Sn,12.0,A2B3C_mC24_9_2a_3a_a:Li-Se-Sn +mp-1194700,Li4SnSe4,-4.0307071956,-1.1830506142,0.0004531261,0.0004531261,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:Li-Se-Sn,36.0,A4B4C_oP36_62_acd_2cd_c:Li-Se-Sn +mp-1211823,La5FeGe3,-5.7045320028,-0.4801830806,0.1379824456,0.1379824456,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Fe-Ge-La,18.0,AB3C5_hP18_193_b_g_dg:Fe-Ge-La +mp-1222908,LaFeGe,-6.37303923,-0.36335384,0.2044984608,0.2044984608,GGA,P-6m2,ABC_hP3_187_a_c_f:Fe-Ge-La,3.0,ABC_hP3_187_a_c_f:Fe-Ge-La +mp-1223046,LaMnFeGe2,-6.82981526,-0.4669953966,0.0,-0.0162494989,GGA,I-4m2,AB2CD_tI10_119_a_f_c_b:Fe-Ge-La-Mn,5.0,AB2CD_tI10_119_a_f_c_b:Fe-Ge-La-Mn +mp-22760,La(MnGe)2,-6.962854242,-0.4616355622,0.0,-0.0195011566,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Mn,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Mn +mp-19743,LaFeGe3,-5.98536181,-0.530339434,0.0,-0.0645134114,GGA,I4mm,AB3C_tI10_107_a_ab_a:Fe-Ge-La,5.0,"Invalid WP multiplicities - AB3C_tI10_107_a_a2b_a:Fe-Ge-La, expected LaFeGe5 to be LaFeGe3" +mp-20195,LaMnGe,-6.680176115,-0.439826031,0.1280262699,0.1280262699,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-La-Mn,6.0,ABC_tP6_129_c_c_a:Ge-La-Mn +mp-1201203,La15FeGe9,-5.5996629996,-0.6349678604,0.0326509078,0.0326509078,GGA,P6_3mc,AB9C15_hP50_186_b_3c_3cd:Fe-Ge-La,50.0,AB9C15_hP50_186_b_3c_3cd:Fe-Ge-La +mp-20527,La(FeGe)2,-6.652777344,-0.428356297,0.0114999363,0.0114999363,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-La,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-La +mp-1217802,Tb4FeGe8,-5.5144631669,-0.5920240554,0.0232554708,0.0232554708,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Ge-Tb,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Ge-Tb +mp-1208368,TbGaFe,-5.5901576333000005,-0.2126631892,0.2056719367,0.2056719367,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-Ga-Tb,6.0,ABC_hP6_194_c_d_a:Fe-Ga-Tb +mp-21565,Tb(FeGe)6,-6.67587907,-0.2764436477,0.0,-0.0271607056,GGA,Cmcm,A6B6C_oC52_63_deg_4cg_c:Fe-Ge-Tb,26.0,"Invalid WP multiplicities - A6B6C_oC52_63_de2g_4c2g_c:Fe-Ge-Tb, expected Tb(FeGe)8 to be Tb(FeGe)6" +mp-1225119,GaFeGe,-5.4896393283,-0.1159242992,0.0442502229,0.0442502229,GGA,Fddd,ABC_oF48_70_e_e_f:Fe-Ga-Ge,12.0,ABC_oF48_70_e_e_f:Fe-Ga-Ge +mp-1217881,Tb(GaFe)6,-5.8341725969,-0.1708595588,0.1299717054,0.1086812688,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Tb,,A6B6C_oF52_69_dm_em_a:Fe-Ga-Tb +mp-645166,Tb(GaFe)6,-5.9641443023,-0.3008312642,0.0,-0.0212904366,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Tb,13.0,"Invalid WP multiplicities - A6B6C_oI26_71_fk_2eg2h_a:Fe-Ga-Tb, expected Tb(Ga5Fe3)2 to be Tb(GaFe)6" +mp-630372,Tb4Ga6FeGe6,-4.7784093341,-0.4893370474,0.034755441,0.034755441,GGA,Im-3m,AB6C6D4_cI34_229_a_d_e_c:Fe-Ga-Ge-Tb,17.0,AB6C6D4_cI34_229_a_d_e_c:Fe-Ga-Ge-Tb +mp-20264,Tb(FeGe)2,-6.616795646,-0.4527027999999999,0.0,-0.024390224,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Tb,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Tb +mp-1102177,Tb2Ga8Fe,-4.2699673291,-0.45510173,0.0091463647,0.0091463647,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Tb,11.0,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Tb +mp-1188789,Tb4Ga12Fe,-4.26045745,-0.5343022806000001,0.0,-0.0028480393,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Fe-Ga-Tb,17.0,AB12C4_cI34_229_a_de_c:Fe-Ga-Tb +mp-1078707,TbFeGe2,-6.056655925,-0.46904517,0.063486804,0.063486804,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Tb,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Tb +mp-1217724,Tb2Ga3Fe,-4.9056093033,-0.4351023904,0.111318371,0.111318371,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Fe-Ga-Tb,6.0,AB3C2_hP6_187_a_bcd_i:Fe-Ga-Tb +mp-1078597,ZnCd3Se4,-3.1230990012,-0.8715916512,0.0080081512,0.0080081512,GGA,P-43m,A3B4C_cP8_215_c_e_a:Cd-Se-Zn,8.0,A3B4C_cP8_215_c_e_a:Cd-Se-Zn +mp-1215531,Zn3CdSe4,-3.2454708588,-0.9097500462,0.0178239088,0.0178239088,GGA,Amm2,AB4C3_oC16_38_a_2bd_ae:Cd-Se-Zn,8.0,AB4C3_oC16_38_a_2bd_ae:Cd-Se-Zn +mp-1079034,Zn3CdSe4,-3.2507132012,-0.9149923887,0.0125815663,0.0125815663,GGA,P-43m,AB4C3_cP8_215_a_e_c:Cd-Se-Zn,8.0,AB4C3_cP8_215_a_e_c:Cd-Se-Zn +mp-1226783,Cd4Te3Se,-2.78423561,-0.7070620853,0.0088225787,0.0088225787,GGA,Pmm2,A4BC3_oP8_25_acf_b_de:Cd-Se-Te,8.0,"Invalid WP multiplicities - A4BC3_oP8_25_ac2f_b_d2e:Cd-Se-Te, expected Cd6Te5Se to be Cd4Te3Se" +mp-1226811,Cd4Te3Se,-2.7680588162,-0.6908852915,0.0249993725,0.0249993725,GGA,R3m,A4BC3_hR24_160_4a_a_3a:Cd-Se-Te,8.0,A4BC3_hR24_160_4a_a_3a:Cd-Se-Te +mp-971837,ZnCdTe2,-2.7905003512,-0.6731890621000001,0.0035467762,0.0035467762,GGA,I-42d,AB2C_tI16_122_a_d_b:Cd-Te-Zn,8.0,AB2C_tI16_122_a_d_b:Cd-Te-Zn +mp-1215406,ZnCdTe2,-2.7701508875,-0.6528395983,0.02389624,0.02389624,GGA,R3m,AB2C_hR12_160_a_2a_a:Cd-Te-Zn,4.0,AB2C_hR12_160_a_2a_a:Cd-Te-Zn +mp-1215513,Zn2TeSe,-3.079937595,-0.7902614473,0.027600585,0.027600585,GGA,R3m,ABC2_hR12_160_a_a_2a:Se-Te-Zn,4.0,ABC2_hR12_160_a_a_2a:Se-Te-Zn +mp-1226768,Cd4TeSe3,-2.965684425,-0.8003595042,0.0086772012,0.0086772012,GGA,Pmm2,A4B3C_oP8_25_acf_be_d:Cd-Se-Te,8.0,"Invalid WP multiplicities - A4B3C_oP8_25_ac2f_b2e_d:Cd-Se-Te, expected Cd6TeSe5 to be Cd4TeSe3" +mp-1215504,ZnCdTeSe,-2.917594745,-0.7121320598,0.0983027775,0.0983027775,GGA,P3m1,ABCD_hP4_156_a_a_b_b:Cd-Se-Te-Zn,4.0,ABCD_hP4_156_a_a_b_b:Cd-Se-Te-Zn +mp-1215527,ZnCdTeSe,-2.921000525,-0.7155378398000001,0.0948969975,0.0948969975,GGA,R3m,ABCD_hR12_160_a_a_a_a:Cd-Se-Te-Zn,4.0,ABCD_hR12_160_a_a_a_a:Cd-Se-Te-Zn +mp-1226952,Cd2TeSe,-2.8717008475,-0.7504516248,0.01200906,0.01200906,GGA,P-4m2,A2BC_tP4_115_g_a_c:Cd-Se-Te,4.0,A2BC_tP4_115_g_a_c:Cd-Se-Te +mp-1226939,Cd2TeSe,-2.8629563875,-0.7417071648,0.02075352,0.02075352,GGA,P3m1,A2BC_hP4_156_ab_a_b:Cd-Se-Te,4.0,A2BC_hP4_156_ab_a_b:Cd-Se-Te +mp-1226940,Cd2TeSe,-2.86302942,-0.7417801973,0.0206804875,0.0206804875,GGA,R3m,A2BC_hR12_160_2a_a_a:Cd-Se-Te,4.0,A2BC_hR12_160_2a_a_a:Cd-Se-Te +mp-1232381,ZnCdTe,-1.97972146,-0.2044083722,0.2517003167,0.2517003167,GGA,Cc,ABC_mC12_9_a_a_a:Cd-Te-Zn,6.0,ABC_mC12_9_a_a_a:Cd-Te-Zn +mp-1017534,ZnCdSe2,-3.184482105,-0.8908680237000001,0.012718855,0.012718855,GGA,P-4m2,AB2C_tP4_115_a_g_c:Cd-Se-Zn,4.0,AB2C_tP4_115_a_g_c:Cd-Se-Zn +mp-1215451,ZnCdSe2,-3.16840605,-0.8747919687,0.02879491,0.02879491,GGA,P3m1,AB2C_hP4_156_a_ab_b:Cd-Se-Zn,4.0,AB2C_hP4_156_a_ab_b:Cd-Se-Zn +mp-1215486,ZnCdSe2,-3.171095715,-0.8774816337,0.026105245,0.026105245,GGA,R3m,AB2C_hR12_160_a_2a_a:Cd-Se-Zn,4.0,AB2C_hR12_160_a_2a_a:Cd-Se-Zn +mp-1215427,ZnCdSe2,-2.4543411675,-0.1607270862,0.7428597925,0.7428597925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Se-Zn,4.0,AB2C_cF16_225_a_c_b:Cd-Se-Zn +mp-1215624,Zn4CdSe5,-3.266691948,-0.9225497892,0.009821581,0.009821581,GGA,I-4m2,AB5C4_tI20_119_a_c2f_2e:Cd-Se-Zn,10.0,"Invalid WP multiplicities - AB5C4_tI20_119_a_c3f_3e:Cd-Se-Zn, expected Zn6CdSe7 to be Zn4CdSe5" +mp-1215652,Zn4CdSe5,-3.24690267,-0.9027605112,0.029610859,0.029610859,GGA,R3m,AB5C4_hR30_160_a_5a_4a:Cd-Se-Zn,10.0,AB5C4_hR30_160_a_5a_4a:Cd-Se-Zn +mp-1215633,Zn5TeSe4,-3.227124259,-0.8845572736,0.013524158,0.013524158,GGA,I-4m2,A4BC5_tI20_119_2e_a_c2f:Se-Te-Zn,10.0,"Invalid WP multiplicities - A4BC5_tI20_119_3e_a_c3f:Se-Te-Zn, expected Zn7TeSe6 to be Zn5TeSe4" +mp-3065,Ho(FeGe)2,-6.59812316,-0.44442176,0.0,-0.0200359481,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Ho,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Ho +mp-1212093,HoFe6(Sn2Ge)2,-6.3945117508,-0.1878287308,0.0105937835,0.0105937835,GGA,P6/mmm,A6B2CD4_hP13_191_i_c_a_de:Fe-Ge-Ho-Sn,13.0,A6B2CD4_hP13_191_i_c_a_de:Fe-Ge-Ho-Sn +mp-1224253,Ho4FeSn8,-4.9957079638,-0.4667670769,0.0651317031,0.0651317031,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Ho-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Ho-Sn +mp-683940,Ho(FeSn)6,-6.2154097044,-0.1031045305,0.0322895459,0.0322895459,GGA,P-1,A6BC6_aP39_2_acde7i_bi_9i:Fe-Ho-Sn,39.0,"Invalid WP multiplicities - A6BC6_oI78_71_2h3k2n5o_af_5e6fg4n:Fe-Ho-Sn, expected Ho3(Fe8Sn5)8 to be Ho(FeSn)6" +mp-1172877,Ho(FeSn)6,-6.2190336638,-0.10672849,0.0286655864,0.0286655864,GGA,Immm,A6BC6_oI78_71_hkno_af_3e3fgn:Fe-Ho-Sn,39.0,"Invalid WP multiplicities - A6BC6_oI78_71_2h3k2n5o_af_5e6fg4n:Fe-Ho-Sn, expected Ho3(Fe8Sn5)8 to be Ho(FeSn)6" +mp-1080783,HoFeGe2,-6.0218224137,-0.4472009662,0.0762282508,0.0762282508,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Ho,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Ho +mp-1212389,Ho(Fe2Ge)2,-7.1075215379,-0.2920144779,0.0254296364,0.0254296364,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-Ho,14.0,A4B2C_tP14_136_i_f_a:Fe-Ge-Ho +mp-1224068,Ho2FeGe4,-5.7338498071,-0.5728568971,0.0,-0.0022223379,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Ho,,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Ho +mp-1206899,Ho3(FeGe)4,-6.4986236845,-0.48776706,0.0277001999999999,0.0277001999999999,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-Ho,11.0,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-Ho +mp-1077485,HoSnGe,-5.0196208833,-0.6146180233,0.0,-0.0121339307,GGA,Cmcm,ABC_oC12_63_c_c_c:Ge-Ho-Sn,6.0,ABC_oC12_63_c_c_c:Ge-Ho-Sn +mp-1193628,Ho(FeGe)6,-6.6744027304,-0.2789640181,0.0,-0.0328660914,GGA,Cmcm,A6B6C_oC52_63_deg_4cg_c:Fe-Ge-Ho,26.0,A6B6C_oC52_63_deg_4cg_c:Fe-Ge-Ho +mp-1215599,Zn2Cr3GaSe8,-5.3070033764,-0.8445735569,0.0329553571,0.0329553571,GGA,R-3m,A3BC8D2_hR42_166_d_a_ch_c:Cr-Ga-Se-Zn,14.0,"Invalid WP multiplicities - A3BC8D2_hR42_166_d_a_2c2h_c:Cr-Ga-Se-Zn, expected Zn2Cr3GaSe16 to be Zn2Cr3GaSe8" +mp-1215748,Zn3Cr12(GaSe12)2,-5.9511588515,-0.8396010959,0.0112719543,0.0112719543,GGA,I-4m2,A12B2C24D3_tI82_119_3i_e_6i_af:Cr-Ga-Se-Zn,41.0,"Invalid WP multiplicities - A12B2C24D3_tI82_119_12i_e_23i_af:Cr-Ga-Se-Zn, expected Zn3Cr48(GaSe46)2 to be Zn3Cr12(GaSe12)2" +mp-1216076,Zn5Cr20(GaSe10)4,-5.9324571828,-0.8410294922,0.0054764695,0.0054764695,GGA,I-4,A20B4C40D5_tI138_82_5g_g_10g_ag:Cr-Ga-Se-Zn,69.0,"Invalid WP multiplicities - A20B4C40D5_tI138_82_20g_g_39g_ag:Cr-Ga-Se-Zn, expected Zn5Cr80(GaSe39)4 to be Zn5Cr20(GaSe10)4" +mp-1216038,ZnCr5GaSe10,-5.97730159,-0.8295256042,0.0184499313,0.0184499313,GGA,I-4m2,A5BC10D_tI136_119_5i_2e_10i_acf:Cr-Ga-Se-Zn,68.0,"Invalid WP multiplicities - A5BC10D_tI136_119_19i_2e_40i_acf:Cr-Ga-Se-Zn, expected ZnCr19GaSe40 to be ZnCr5GaSe10" +mp-12801,CoCu2Sn,-4.63442855,0.1946471975,0.2488617667,0.2488617667,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Cu-Sn,4.0,AB2C_cF16_225_a_c_b:Co-Cu-Sn +mp-1226100,CoCu2SnSe4,-4.633695655,-0.4712020424,0.0536835175,0.0536835175,GGA,I-4,AB2C4D_tI16_82_a_bc_g_d:Co-Cu-Se-Sn,8.0,AB2C4D_tI16_82_a_bc_g_d:Co-Cu-Se-Sn +mp-11771,CoCu2SnSe4,-4.6320032688,-0.4695096562,0.0553759038,0.0553759038,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Co-Cu-Se-Sn,8.0,AB2C4D_tI16_121_a_d_i_b:Co-Cu-Se-Sn +mp-570152,Co2(SnSe)3,-5.13999856,-0.5483628615,0.0,-0.0469503109,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Co-Se-Sn,32.0,"Invalid WP multiplicities - A2B3C3_hR96_148_c2f_5f_9f:Co-Se-Sn, expected Co7(Sn9Se5)3 to be Co2(SnSe)3" +mp-1213984,Ce4MgRh,-5.6387781779,-0.1892874213,0.0874193135,0.0874193135,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ce-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:Ce-Mg-Rh +mp-1205710,Ce2InRh2,-6.638661047,-0.7693654910000001,0.0,-0.0389706017,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-In-Rh,10.0,A2BC2_tP10_127_h_a_g:Ce-In-Rh +mp-977438,MgInRh2,-5.306607885,-0.536463005,0.0,-0.097115025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:In-Mg-Rh +mp-1213919,CeMgIn3Rh,-4.3284635383,-0.4696754942,0.0,-0.0172679818,GGA,Pmma,AB3CD_oP12_51_e_fj_a_e:Ce-In-Mg-Rh,12.0,AB3CD_oP12_51_e_fj_a_e:Ce-In-Mg-Rh +mp-1226900,Ce3(MgRh2)2,-6.2170322467,-0.6106923528,0.04524841,0.04524841,GGA,Amm2,A3B2C4_oC18_38_ad_e_abe:Ce-Mg-Rh,9.0,A3B2C4_oC18_38_ad_e_abe:Ce-Mg-Rh +mp-1213760,CeMgRh,-5.5193058278,-0.5534134694,0.0,-0.0309202044,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-Mg-Rh,9.0,ABC_hP9_189_f_g_ad:Ce-Mg-Rh +mp-1206465,Ce2In8Rh,-4.16814254,-0.4186919927,0.0,-0.0002269609,GGA,P4/mmm,A2B8C_tP11_123_g_ehi_a:Ce-In-Rh,11.0,A2B8C_tP11_123_g_ehi_a:Ce-In-Rh +mp-1184007,Ce2MgIn,-4.175841495,-0.1213059725,0.0630506229,0.0630506229,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-In-Mg,4.0,A2BC_cF16_225_c_a_b:Ce-In-Mg +mp-1206576,CeIn2Rh,-5.27355861,-0.5733674887,0.0083323888,0.0083323888,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ce-In-Rh,8.0,AB2C_oC16_63_c_f_c:Ce-In-Rh +mp-1079553,CeInRh,-6.0517323856,-0.7020388006,0.0,-0.0197835328,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-In-Rh,9.0,ABC_hP9_189_f_g_ad:Ce-In-Rh +mp-20294,CeIn5Rh,-4.29209493,-0.426978405,0.0,-0.0273825273,GGA,P4/mmm,AB5C_tP7_123_a_ci_b:Ce-In-Rh,7.0,AB5C_tP7_123_a_ci_b:Ce-In-Rh +mp-1221660,MnAl2Cu,-5.4339360375,-0.245842632,0.0046621299,0.0046621299,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Cu-Mn,4.0,A2BC_tP4_123_h_a_b:Al-Cu-Mn +mp-1197126,Mn5Al31Cu3,-4.6273446278,-0.1601511099,0.0298347204,0.0298347204,GGA,Cmcm,A31B3C5_oC156_63_3c4f2g4h_cf_cfg:Al-Cu-Mn,,A31B3C5_oC156_63_3c4f2g4h_cf_cfg:Al-Cu-Mn +mp-1221904,Mn2Al2Cu,-6.002400422,-0.0195226392,0.2125247208,0.2125247208,GGA,I4mm,A2BC2_tI10_107_2a_a_2a:Al-Cu-Mn,5.0,A2BC2_tI10_107_2a_a_2a:Al-Cu-Mn +mp-1221881,Mn2AlCu3,-5.6904158433,0.0374552274,0.163764054,0.163764054,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Cu-Mn,6.0,AB3C2_hR18_166_a_d_c:Al-Cu-Mn +mp-1221718,MnAlPd2,-6.3818765525,-0.565037867,0.0583333518,0.0583333518,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Mn-Pd,4.0,ABC2_tP4_123_a_b_h:Al-Mn-Pd +mp-10891,MnAlPd2,-6.409872965,-0.5930342795,0.0303369393,0.0303369393,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Al-Mn-Pd +mp-1211191,Mn6Al31Cu2,-4.7612996878,-0.1642905642,0.0375832718,0.0375832718,GGA,Cmcm,A31B2C6_oC156_63_3c4f2g4h_g_2c2f:Al-Cu-Mn,78.0,A31B2C6_oC156_63_3c4f2g4h_g_2c2f:Al-Cu-Mn +mp-864946,MnCuPd2,-6.1282536275,-0.223007232,0.0,-0.0197440392,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Mn-Pd,4.0,ABC2_cF16_225_a_b_c:Cu-Mn-Pd +mp-1221640,MnAlCuPd,-5.84667689,-0.3000069895,0.1570037555,0.1570037555,GGA,P4mm,ABCD_tP4_99_a_b_a_b:Al-Cu-Mn-Pd,4.0,ABCD_tP4_99_a_b_a_b:Al-Cu-Mn-Pd +mp-1221627,MnAlCuPd,-5.8929642975,-0.346294397,0.110716348,0.110716348,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Al-Cu-Mn-Pd,4.0,ABCD_cF16_216_a_c_b_d:Al-Cu-Mn-Pd +mp-3574,MnAlCu2,-5.407350535,-0.1308494195,0.0408403645,0.0408403645,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Mn,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Mn +mp-1093918,Al2CuPd,-2.7408411775,1.4517188575,2.0154435765,2.0154435765,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Pd +mp-1251595,Al2CuPd,-2.7420908475,1.4504691875,2.0141939065,2.0141939065,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Pd +mp-1183165,Al2CuPd,-4.73845369,-0.5458936550000001,0.017831064,0.017831064,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Cu-Pd,4.0,A2BC_cF16_225_c_a_b:Al-Cu-Pd +mp-1228912,AlCuPd2,-5.153960425,-0.602823895,0.0205473237,0.0205473237,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Cu-Pd,4.0,ABC2_tP4_123_a_b_h:Al-Cu-Pd +mp-866296,AlCuPd2,-5.17418127,-0.62304474,0.0003264787,0.0003264787,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-Pd,4.0,ABC2_cF16_225_a_b_c:Al-Cu-Pd +mp-19967,LuMnSi,-6.8967507708,-0.5273228235,0.0162483437,0.0162483437,GGA,Pnma,ABC_oP12_62_c_c_c:Lu-Mn-Si,12.0,ABC_oP12_62_c_c_c:Lu-Mn-Si +mp-1205070,ScMnSi2,-7.2042214613,-0.617941347,0.0,-7.37844e-05,GGA,Pbam,ABC2_oP48_55_ei_gi_2g2hi:Mn-Sc-Si,48.0,ABC2_oP48_55_ei_gi_2g2hi:Mn-Sc-Si +mp-1222360,LuSc3(MnSi)4,-7.3891267217,-0.5668191281,0.0196592922,0.0196592922,GGA,Pm,AB4C3D4_mP12_6_a_2a2b_a2b_2a2b:Lu-Mn-Sc-Si,12.0,AB4C3D4_mP12_6_a_2a2b_a2b_2a2b:Lu-Mn-Sc-Si +mp-1207112,Lu(MnSi)2,-7.337304676,-0.5981812432,0.0,-0.0733679133,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Lu-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Lu-Mn-Si +mp-1209009,Sc2Mn3Si,-7.9715865408,-0.3755361881,0.0,-0.0037938156,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Mn-Sc-Si,12.0,A3B2C_hP12_194_h_f_a:Mn-Sc-Si +mp-1203732,Lu2Mn3Si5,-6.9514470290000006,-0.5859933224,0.0,-0.0197521783,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Lu-Mn-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Lu-Mn-Si +mp-1209006,Sc4Mn4Si7,-7.2901363217,-0.6264587351,0.0,-0.0120273547,GGA,I4/mmm,A4B4C7_tI60_139_k_hi_ehij:Mn-Sc-Si,30.0,A4B4C7_tI60_139_k_hi_ehij:Mn-Sc-Si +mp-1219388,Sc4MnSi7,-6.44015848,-0.4010653198,0.2220639417,0.2220639417,GGA,Pmm2,AB4C7_oP12_25_a_abcd_a2b2c2d:Mn-Sc-Si,12.0,AB4C7_oP12_25_a_abcd_a2b2c2d:Mn-Sc-Si +mp-999201,Sc2MnSi,-6.99562977,-0.182561887,0.3521965363,0.3521965363,GGA,F-43m,AB2C_cF16_216_a_bc_d:Mn-Sc-Si,4.0,AB2C_cF16_216_a_bc_d:Mn-Sc-Si +mp-999208,Sc2MnSi,-7.0823116225,-0.2692437395,0.2655146838,0.2655146838,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Sc-Si,4.0,AB2C_cF16_225_a_c_b:Mn-Sc-Si +mp-9550,ScMnSi,-7.5738544289,-0.6005869532,0.0,-0.0423437619,GGA,P-62m,ABC_hP9_189_f_g_bc:Mn-Sc-Si,9.0,ABC_hP9_189_f_g_bc:Mn-Sc-Si +mp-675420,Pr4Ag2Se7,-5.4388967292,-1.6496570854,0.0877503672,0.0877503672,GGA,Pc,A2B4C7_mP26_7_2a_4a_7a:Ag-Pr-Se,26.0,"Invalid WP multiplicities - A2B4C7_mP26_7_3a_5a_14a:Ag-Pr-Se, expected Pr5Ag3Se14 to be Pr4Ag2Se7" +mp-31203,Pr(SiAg)2,-4.6703436400000005,-0.4110128757,0.0007131877,0.0007131877,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Pr-Si +mp-1025028,PrSiAg,-4.796452105,-0.4501921756,0.0477396256,0.0477396256,GGA,I4_1md,ABC_tI12_109_a_a_a:Ag-Pr-Si,6.0,ABC_tI12_109_a_a_a:Ag-Pr-Si +mp-1206746,PrSiAg,-4.80350816,-0.4572482306,0.0406835706,0.0406835706,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-Pr-Si,3.0,ABC_hP3_187_a_d_e:Ag-Pr-Si +mp-35264,Pr5AgSe8,-5.8601091236,-1.9526536522,0.0159149639,0.0159149639,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Pr-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_cg_4g:Ag-Pr-Se, expected Pr5AgSe16 to be Pr5AgSe8" +mp-1025554,PrSi2Ag,-5.1306820338,-0.5146575792,0.0,-0.0494647444,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ag-Pr-Si,8.0,ABC2_oC16_63_c_c_2c:Ag-Pr-Si +mp-17389,Pr3SiAgSe7,-5.5426284042,-1.6199641007,0.0,-0.0355937695,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Pr-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b4c_b:Ag-Pr-Se-Si, expected Pr3SiAgSe13 to be Pr3SiAgSe7" +mp-1221272,Na2Zn3SiAs4,-3.333085932,-0.2844786253,0.0492549195,0.0492549195,GGA,Cm,A4B2CD3_mC20_8_4a_2a_a_3a:As-Na-Si-Zn,10.0,A4B2CD3_mC20_8_4a_2a_a_3a:As-Na-Si-Zn +mp-3595,ZnSiAs2,-4.1976222537,-0.1967976412,0.0,-0.0795525153,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Si-Zn,8.0,A2BC_tI16_122_d_a_b:As-Si-Zn +mp-1215453,ZnSiAs2,-4.10057595,-0.0997513375,0.0970463038,0.0174937884,GGA,R3m,A2BC_hR12_160_2a_a_a:As-Si-Zn,4.0,A2BC_hR12_160_2a_a_a:As-Si-Zn +mp-13097,NaZnAs,-2.8388199167,-0.4250241472,0.0,-0.1132165761,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Na-Zn,6.0,ABC_tP6_129_c_c_a:As-Na-Zn +mp-34240,NaZnAs,-2.7032037933,-0.2894080239,0.1356161233,0.0223995472,GGA,F-43m,ABC_cF12_216_c_a_b:As-Na-Zn,3.0,ABC_cF12_216_c_a_b:As-Na-Zn +mp-1078703,NaZn4As3,-2.8030164375,-0.2606595689,0.0,-0.0087605,GGA,R-3m,A3BC4_hR24_166_ac_b_2c:As-Na-Zn,8.0,A3BC4_hR24_166_ac_b_2c:As-Na-Zn +mp-1111636,Rb2ErAgCl6,-4.227773829,-2.1825175372,0.0032751216,0.0032751216,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Er-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Er-Rb +mp-1113344,Rb2TaCuBr6,-4.04646329,-1.3228410475,0.219189922,0.219189922,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Ta +mp-1113343,Rb2LaCuCl6,-4.358773875,-2.150023687,0.0732425563,0.0732425563,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-La-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-La-Rb +mp-1190421,CsDy2Ag3Te5,-4.1916724677,-1.0713839651,0.0,-0.0216058673,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Dy-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Dy-Te +mp-1112612,Cs2CuAsCl6,-3.684477381,-1.5204424031,0.051697737,0.051697737,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Cu +mp-1113623,Cs2GaAgCl6,-3.581872505,-1.707604832,0.0681970488,0.0681970488,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Ga,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Ga +mp-1113231,Cs3GaCl6,-3.668665148,-1.9881128381,0.0782787308,0.0782787308,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Ga,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Ga +mp-1202213,Cs8Ga11Cl,-2.4876544505,-0.3716138563,0.0,-0.0157915111,GGA,R-3c,AB8C11_hR120_167_b_cf_cef:Cl-Cs-Ga,40.0,AB8C11_hR120_167_b_cf_cef:Cl-Cs-Ga +mp-608516,CsGaCl4,-3.8269600379,-1.9406858655,0.0,-0.1393446996,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Cs-Ga,24.0,"Invalid WP multiplicities - A4BC_oP24_62_5c3d_c_c:Cl-Cs-Ga, expected CsGaCl11 to be CsGaCl4" +mp-1113926,Rb2NaGaCl6,-3.700475295,-1.9601843529,0.0564947515,0.0564947515,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Na-Rb +mp-571445,HfHg3(SeCl3)2,-3.8434388104,-1.4308327237,0.0,-0.0306107296,GGA,P2_1/c,A6BC3D2_mP24_14_3e_a_de_e:Cl-Hf-Hg-Se,24.0,"Invalid WP multiplicities - A6BC3D2_mP24_14_8e_a_2d2e_e:Cl-Hf-Hg-Se, expected HfHg6(SeCl8)2 to be HfHg3(SeCl3)2" +mp-29420,Hf(Se2Cl3)2,-4.4579655966,-1.2732333329,0.0,-0.0262687188,GGA,P4_2/ncm,A6BC4_tP44_138_ij_c_hi:Cl-Hf-Se,44.0,A6BC4_tP44_138_ij_c_hi:Cl-Hf-Se +mp-27851,Hg3(SeCl)2,-2.3974435364,-0.7403096264,0.0,-0.0550759896,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Cl-Hg-Se,14.0,A2B3C2_cI28_199_a_b_a:Cl-Hg-Se +mp-571313,Hf(SeCl6)2,-3.9424270193,-1.333663559,0.0,-0.0024914193,GGA,Fdd2,A12BC2_oF120_43_6b_a_b:Cl-Hf-Se,30.0,"Invalid WP multiplicities - A12BC2_oF120_43_19b_a_b:Cl-Hf-Se, expected Hf(SeCl19)2 to be Hf(SeCl6)2" +mp-1105790,Ba2ErGaSe5,-5.1164616006,-1.903870256,0.003619494,0.003619494,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Er-Ga-Se,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Er-Ga-Se +mp-1220254,NdSm(MnGe)4,-6.93595867,-0.4732680544,0.0,-0.000126962,GGA,P4/mmm,A4B4CD_tP10_123_gh_i_a_d:Ge-Mn-Nd-Sm,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_2gh_i_c_b:Ge-Mn-Nd-Sm, expected NdSm(Mn2Ge3)2 to be NdSm(MnGe)4" +mp-1190149,RbTb2Ag3Te5,-4.2086128864,-1.0755707273,0.0,-0.0263320536,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Rb-Tb-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Rb-Tb-Te +mp-1181879,CdCu3NiSe4,-4.0404314944,-0.375510121,0.1175487028,0.1175487028,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Ni-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Ni-Se +mp-19898,LaGeRu,-6.9763657167,-0.6985532167,0.0,-0.0716209638,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-La-Ru,6.0,ABC_tP6_129_c_c_a:Ge-La-Ru +mp-1096140,La2IrRu,-5.5524556825,1.44375705,1.9244211076,1.9244211076,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-La-Ru,4.0,AB2C_oI8_71_a_e_b:Ir-La-Ru +mp-19900,La(GeRu)2,-7.23345516,-0.687281581,0.0,-0.1082367853,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Ru,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Ru +mp-1213532,La15Ge9Ru,-5.6702474556,-0.6733770632,0.0105504018,0.0105504018,GGA,P6_3mc,A9B15C_hP50_186_3c_3cd_b:Ge-La-Ru,50.0,A9B15C_hP50_186_3c_3cd_b:Ge-La-Ru +mp-1222835,LaGe2IrRu,-7.22524078,-0.766260873,0.0,-0.017300325,GGA,I-4m2,A2BCD_tI10_119_f_a_c_b:Ge-Ir-La-Ru,5.0,A2BCD_tI10_119_f_a_c_b:Ge-Ir-La-Ru +mp-621852,La2Ge5Ru3,-6.740037339,-0.6590012285,0.001680544,0.001680544,GGA,Ibam,A5B2C3_oI40_72_afj_j_bj:Ge-La-Ru,20.0,"Invalid WP multiplicities - A5B2C3_oI40_72_2a2f3j_j_bj:Ge-La-Ru, expected La2(Ge4Ru)3 to be La2Ge5Ru3" +mp-1068387,LaGe3Ru,-6.249980606,-0.634081964,0.0,-0.0444919976,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-La-Ru,5.0,A3BC_tI10_107_ab_a_a:Ge-La-Ru +mp-1097314,MnGaFe2,-4.6519575275000005,2.6305809061,2.7449353128,2.7449353128,GGA,C2/m,A2BC_mC8_12_i_a_c:Fe-Ga-Mn,4.0,A2BC_mC8_12_i_a_c:Fe-Ga-Mn +mp-1065753,MnGaFe2,-7.3593626,-0.0768241664,0.0375302403,0.0375302403,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Fe-Ga-Mn,4.0,A2BC_tP4_123_e_a_c:Fe-Ga-Mn +mp-1210826,MnGaFe2,-7.3145302375,-0.0319918039,0.0823626028,0.0823626028,GGA,I4/mmm,A2BC_tI8_139_d_a_b:Fe-Ga-Mn,4.0,A2BC_tI8_139_d_a_b:Fe-Ga-Mn +mp-1018046,MnGaFe2,-7.3584310225,-0.0758925889,0.0384618178,0.0384618178,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Mn,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Mn +mp-999552,MnGaFeCo,-7.0764302425,-0.1343176626,0.0442328876,0.0442328876,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-Mn,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-Mn +mp-1112132,Cs2RbBiBr6,-3.357766554,-1.7647667613,0.026209717,0.026209717,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Rb +mp-1077556,TbSnGe,-5.0610437183,-0.6387217817,0.0,-0.0069626882,GGA,Cmcm,ABC_oC12_63_c_c_c:Ge-Sn-Tb,6.0,ABC_oC12_63_c_c_c:Ge-Sn-Tb +mp-1208394,TbFe6(Sn2Ge)2,-6.3980374285,-0.1873576985,0.0189516606,0.0189516606,GGA,P6/mmm,A6B2C4D_hP13_191_i_c_de_a:Fe-Ge-Sn-Tb,13.0,A6B2C4D_hP13_191_i_c_de_a:Fe-Ge-Sn-Tb +mp-21581,Tb(FeSn)6,-6.2305455331,-0.1142436492,0.0290372721,0.0290372721,GGA,Cmcm,A6B6C_oC52_63_deg_4cg_c:Fe-Sn-Tb,26.0,A6B6C_oC52_63_deg_4cg_c:Fe-Sn-Tb +mp-1217797,Tb4FeSn8,-5.0476991685,-0.5027714415,0.0554196538,0.0554196538,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Sn-Tb,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Fe-Sn-Tb +mp-1093604,Tl2HgSe,-2.100379215,0.030840319,0.3840180398,0.3840180398,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Se-Tl,4.0,ABC2_oI8_71_a_b_e:Hg-Se-Tl +mp-1105692,Tl2Hg3Se4,-2.6487435894,-0.4687465562,0.0,-0.0120451939,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Hg-Se-Tl,18.0,A3B4C2_mC36_15_ef_2f_f:Hg-Se-Tl +mp-733717,Tl3SnSe4,-3.6907796187,-0.5556362180000001,0.0495802142,0.0495802142,GGA,P2_1/c,A4BC3_mP32_14_4e_e_3e:Se-Sn-Tl,32.0,A4BC3_mP32_14_4e_e_3e:Se-Sn-Tl +mp-531170,Tl4SnSe3,-3.5545393216,-0.5610544622,0.0,-0.051632307,GGA,P2_1,A3BC4_mP64_4_12a_4a_16a:Se-Sn-Tl,64.0,A3BC4_mP64_4_24a_8a_32a:Se-Sn-Tl +mp-1105814,Tl4SnSe3,-3.517475275,-0.5239904157,0.0370640466,-0.0145682604,GGA,I4/mcm,A3BC4_tI32_140_ah_c_l:Se-Sn-Tl,16.0,A3BC4_tI32_140_ah_c_l:Se-Sn-Tl +mp-1078676,Tl2SnHgSe4,-3.463230415,-0.585457362,0.0024000864,0.0024000864,GGA,I-42m,AB4CD2_tI16_121_a_i_b_c:Hg-Se-Sn-Tl,8.0,AB4CD2_tI16_121_a_i_b_c:Hg-Se-Sn-Tl +mp-29237,Tl2SnSe3,-3.8403281185,-0.6365626883000001,0.0,-0.0546825779,GGA,Pnma,A3BC2_oP48_62_2c2d_d_2d:Se-Sn-Tl,48.0,"Invalid WP multiplicities - A3BC2_oP48_62_3c3d_d_2d:Se-Sn-Tl, expected Tl4Sn2Se9 to be Tl2SnSe3" +mp-1114114,Rb2TlBiBr6,-3.300123201,-1.5518861608,0.0447929844,0.0447929844,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Rb-Tl +mp-867787,RbTl2Bi,-2.5620185525,-0.1754411785,0.0076652672,0.0076652672,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Rb-Tl,4.0,ABC2_cF16_225_a_b_c:Bi-Rb-Tl +mp-1179028,TlCu3PbSe4,-3.7806491811,-0.185476277,0.3150999115,0.3150999115,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-Tl,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-Tl +mp-1195087,Tl4PbSe3,-3.5360106484,-0.5796413872,0.0,-0.0395315139,GGA,P4/ncc,AB3C4_tP32_130_c_cf_g:Pb-Se-Tl,32.0,AB3C4_tP32_130_c_cf_g:Pb-Se-Tl +mp-1189804,Tl4PbSe3,-3.52240611,-0.5660368488,0.0136045384,-0.0259269755,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Pb-Se-Tl,16.0,AB3C4_tI32_140_c_ah_l:Pb-Se-Tl +mp-1193021,Cs3SnTe3,-3.3522920571,-1.048621107,0.0,-0.1092437385,GGA,C2/c,A3BC3_mC56_15_2e2f_f_3f:Cs-Sn-Te,28.0,A3BC3_mC56_15_2e2f_f_3f:Cs-Sn-Te +mp-28877,Cs2SnTe4,-3.4929514954,-0.8681514707,0.0009197655,0.0009197655,GGA,Pnma,A2BC4_oP28_62_d_c_2cd:Cs-Sn-Te,28.0,A2BC4_oP28_62_d_c_2cd:Cs-Sn-Te +mp-505014,Cs4Sn2Te7,-3.4848403523,-0.8999253945000001,0.0,-0.0043186838,GGA,C2/c,A4B2C7_mC52_15_2f_f_e3f:Cs-Sn-Te,26.0,"Invalid WP multiplicities - A4B2C7_mC52_15_5f_f_2e7f:Cs-Sn-Te, expected Cs5SnTe8 to be Cs4Sn2Te7" +mp-22235,Cs2MnSnTe4,-4.2580538281,-0.8161018951,0.0,-0.0295465229,GGA,Fddd,A2BCD4_oF64_70_e_a_b_h:Cs-Mn-Sn-Te,16.0,A2BCD4_oF64_70_e_a_b_h:Cs-Mn-Sn-Te +mp-1181713,CrCdCu3Se4,-4.52629984,-0.4310550455,0.1455497969,0.1455497969,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Cd-Cr-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Cd-Cr-Cu-Se +mp-28921,Tl5Se2Br,-3.2369794594,-0.6922210820000001,0.0,-0.0530895636,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:Br-Se-Tl,16.0,AB2C5_tI32_140_a_h_cl:Br-Se-Tl +mp-1208065,TlHg5Br11,-2.1361015406,-0.9029040934,0.0,-0.0182428297,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-Tl,17.0,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-Tl +mp-27293,Tl4HgBr6,-2.8332242495,-1.0993676194,0.0037779323,0.0037779323,GGA,P4/mnc,A6BC4_tP22_128_eh_a_g:Br-Hg-Tl,22.0,A6BC4_tP22_128_eh_a_g:Br-Hg-Tl +mp-1202157,TlHg6Se4Br5,-2.3457062687,-0.7248617127,0.0124077269,0.0124077269,GGA,I4/m,A5B6C4D_tI64_87_ab2h_hi_i_d:Br-Hg-Se-Tl,32.0,A5B6C4D_tI64_87_ab2h_hi_i_d:Br-Hg-Se-Tl +mp-1223390,La6Al3Fe11,-6.822265429,-0.1211152575,0.010637717,0.010637717,GGA,I4cm,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-La,40.0,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-La +mp-22470,La(FeAs3)4,-5.9766696347,-0.4045806462,0.0,-0.0305866724,GGA,Im-3,A12B4C_cI34_204_g_c_a:As-Fe-La,17.0,A12B4C_cI34_204_g_c_a:As-Fe-La +mp-1211503,La6Al4Fe9As,-6.600188505,-0.3258057427,0.0062334228,0.0062334228,GGA,I4/mcm,A4BC9D6_tI80_140_l_a_dkl_fl:Al-As-Fe-La,40.0,A4BC9D6_tI80_140_l_a_dkl_fl:Al-As-Fe-La +mp-1211263,La(Al5Fe)2,-4.9150119227,-0.3510267054,0.0056172982,0.0056172982,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-La,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-La +mp-977054,La(Al2Fe)4,-5.6820164977,-0.3911935296,0.0,-0.0075553552,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-La,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Fe-La, expected La(Al3Fe)4 to be La(Al2Fe)4" +mp-1211934,La6AlFe13,-7.1934794565,-0.019884747,0.0240329112,0.0240329112,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Al-Fe-La,40.0,AB13C6_tI80_140_a_dk2l_fl:Al-Fe-La +mp-1223440,La6Al3Fe10As,-6.7921370405,-0.2815320093,0.0065894982,0.0065894982,GGA,Fmm2,A3BC10D6_oF160_42_2cd_b_2a2c3d2e_2b2c2d:Al-As-Fe-La,40.0,"Invalid WP multiplicities - A3BC10D6_oF160_42_2cd_b_2a2c3d3e_2b2c2d:Al-As-Fe-La, expected La6Al3Fe12As to be La6Al3Fe10As" +mp-1211603,La6Al5Fe9,-6.4482939242,-0.2195882907,0.0,-0.0138348201,GGA,I4/mcm,A5B9C6_tI80_140_al_dkl_fl:Al-Fe-La,40.0,A5B9C6_tI80_140_al_dkl_fl:Al-Fe-La +mp-1194906,La(Al4Fe)2,-5.1263171305,-0.4135302064,0.0,-0.0372022841,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Fe-La,44.0,A8B2C_oP44_55_ad2g5h_2g_g:Al-Fe-La +mp-1224264,In4Ag3(GeSe4)4,-4.049561923,-0.5706323677,0.0612471343,0.0612471343,GGA,I-4,A3B4C4D16_tI54_82_cf_abe_g_4g:Ag-Ge-In-Se,27.0,"Invalid WP multiplicities - A3B4C4D16_tI54_82_cf_abe_g_16g:Ag-Ge-In-Se, expected In4Ag3(GeSe16)4 to be In4Ag3(GeSe4)4" +mp-1223893,InAgGeSe4,-4.0814470729,-0.6256022873,0.0,-0.0026322791,GGA,I-4,ABCD4_tI14_82_a_b_c_g:Ag-Ge-In-Se,7.0,ABCD4_tI14_82_a_b_c_g:Ag-Ge-In-Se +mp-505607,In2Ag2GeSe6,-3.9606037859,-0.6181514052,0.0183975786,0.0183975786,GGA,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:Ag-Ge-In-Se,22.0,A2BC2D6_mC44_9_2a_a_2a_6a:Ag-Ge-In-Se +mp-1205061,Zr(TlSe)4,-4.4912814504,-0.9377348807,0.0,-0.086814732,GGA,P-1,A4B4C_aP45_2_10i_10i_a2i:Se-Tl-Zr,45.0,A4B4C_aP45_2_10i_10i_a2i:Se-Tl-Zr +mp-7050,ZrTlCuSe3,-5.3432133492,-1.0936658692,0.0,-0.0154775185,GGA,Cmcm,AB3CD_oC24_63_c_cf_c_a:Cu-Se-Tl-Zr,12.0,AB3CD_oC24_63_c_cf_c_a:Cu-Se-Tl-Zr +mp-1207399,Zr3Tl2(CuSe4)2,-5.6446749247,-1.2090687017,0.0,-0.0054237593,GGA,C2/m,A2B8C2D3_mC30_12_i_4i_i_ai:Cu-Se-Tl-Zr,15.0,A2B8C2D3_mC30_12_i_4i_i_ai:Cu-Se-Tl-Zr +mp-1227001,Cd2GaCuSe4,-3.6347434938,-0.7651524784,0.0195851425,0.0195851425,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-Ga-Se,8.0,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-Ga-Se +mp-1181874,CdGaCu3Se4,-3.7543443811,-0.395205303,0.2059095689,0.2059095689,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Ga-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-Ga-Se +mp-1095406,Ba3(LiSb)4,-3.6720688218,-0.9531032539,0.0,-0.024444242,GGA,Immm,A3B4C4_oI22_71_af_n_eh:Ba-Li-Sb,11.0,A3B4C4_oI22_71_af_n_eh:Ba-Li-Sb +mp-1228109,Ba8Li13GaSb12,-3.6224829356,-0.8947209447000001,0.000636556,0.000636556,GGA,Cm,A8BC13D12_mC68_8_8a_a_13a_12a:Ba-Ga-Li-Sb,34.0,A8BC13D12_mC68_8_8a_a_13a_12a:Ba-Ga-Li-Sb +mp-10485,BaLiSb,-3.661213635,-1.0089139528,0.0,-0.0923500445,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Li-Sb,6.0,ABC_hP6_194_a_c_d:Ba-Li-Sb +mp-631316,Li2GaSb,-3.19288487,-0.449149121,0.0512581234,0.0512581234,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Li-Sb,4.0,AB2C_cF16_225_a_c_b:Ga-Li-Sb +mp-1232162,Mg(ScSe2)2,-5.7191833725,-1.6836313481,0.1629518193,0.1629518193,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Sc-Se,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Sc-Se +mp-1232167,Mg(ScSe2)2,-5.8109713529,-1.7754193285,0.0711638389,0.0711638389,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Sc-Se,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Sc-Se +mp-1232159,Mg(ScSe2)2,-5.8051411079,-1.7695890835,0.0769940839,0.0769940839,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Sc-Se,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Sc-Se +mp-1232169,Mg(ScSe2)2,-5.8283713743,-1.7928193499,0.0537638175,0.0537638175,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Sc-Se,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Sc-Se +mp-1232398,Mg(ScSe2)2,-5.5939980954,-1.558446071,0.2881370964,0.2881370964,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Sc-Se,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Sc-Se +mp-1232161,Mg(ScSe2)2,-5.7197817821,-1.6842297578,0.1623534096,0.1623534096,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Sc-Se,14.0,AB2C4_tI28_122_a_d_e:Mg-Sc-Se +mp-1001019,Mg(ScSe2)2,-5.8788462771,-1.8432942528,0.0032889146,0.0032889146,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Sc-Se,14.0,AB2C4_cF56_227_a_d_e:Mg-Sc-Se +mp-1180319,MgScCu3Se4,-4.7479797189,-0.9464224883,0.0719124131,0.0719124131,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Sc-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Sc-Se +mp-1232150,MgScSe3,-5.028159294,-1.3440625764,0.2915405212,0.2915405212,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Sc-Se,10.0,ABC3_mC20_12_g_i_ij:Mg-Sc-Se +mp-1232171,MgScSe3,-5.1381339,-1.4540371824,0.1815659152,0.1815659152,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-Sc-Se,10.0,ABC3_hR30_148_c_c_f:Mg-Sc-Se +mp-1198176,NbAl2(SeCl4)2,-4.7768391488,-1.7481796923,0.0,-0.0146638127,GGA,P2_1/c,A2B8CD2_mP52_14_2e_8e_e_2e:Al-Cl-Nb-Se,52.0,A2B8CD2_mP52_14_2e_8e_e_2e:Al-Cl-Nb-Se +mp-540615,Nb3Se5Cl7,-5.4733541973,-1.4251389221,0.0034343303,0.0034343303,GGA,P2_1/m,A7B3C5_mP30_11_3e2f_ef_e2f:Cl-Nb-Se,30.0,A7B3C5_mP30_11_3e2f_ef_e2f:Cl-Nb-Se +mp-28358,NbAlCl8,-4.7014839345,-1.8379665195,0.0,-0.0058908978,GGA,Cmcm,AB8C_oC40_63_c_2f2g_c:Al-Cl-Nb,20.0,"Invalid WP multiplicities - AB8C_oC40_63_c_3f2g_c:Al-Cl-Nb, expected NbAlCl10 to be NbAlCl8" +mp-27361,Nb(SeCl)2,-5.511321369,-1.3532811059,0.0076656,0.0076656,GGA,P-1,A2BC2_aP10_2_2i_i_2i:Cl-Nb-Se,10.0,A2BC2_aP10_2_2i_i_2i:Cl-Nb-Se +mp-573340,Nb2Se17Cl12,-4.0367207945,-0.7523483713,0.0,-0.0103554851,GGA,P-1,A12B2C17_aP62_2_12i_2i_17i:Cl-Nb-Se,62.0,"Invalid WP multiplicities - A12B2C17_aP62_2_21i_2i_32i:Cl-Nb-Se, expected Nb2Se32Cl21 to be Nb2Se17Cl12" +mp-570270,NbSeCl3,-5.392391645,-1.5638263455,0.0,-0.005093955,GGA,P2/c,A3BC_mP20_13_3g_g_g:Cl-Nb-Se,20.0,"Invalid WP multiplicities - A3BC_mP20_13_11g_g_g:Cl-Nb-Se, expected NbSeCl11 to be NbSeCl3" +mp-29968,NbSeCl9,-4.0743433715,-1.3257936935,0.0043014716,0.0043014716,GGA,P2_1/c,A9BC_mP88_14_18e_2e_2e:Cl-Nb-Se,88.0,A9BC_mP88_14_18e_2e_2e:Cl-Nb-Se +mp-571061,Nb3Se10Cl3,-5.5521004978,-1.1265605055,0.0,-0.0201015716,GGA,P2_1/m,A3B3C10_mP64_11_2e2f_3f_4e8f:Cl-Nb-Se,64.0,"Invalid WP multiplicities - A3B3C10_mP64_11_4e6f_8f_7e27f:Cl-Nb-Se, expected Nb16Se61Cl16 to be Nb3Se10Cl3" +mp-1206972,Pr2CuGe6,-5.0477534878,-0.4478440089,0.0346247039,0.0346247039,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Pr,,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Pr +mp-978092,PrCuGe2,-5.1188365825,-0.5872945488,0.0,-0.0027664706,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Cu-Ge-Pr,8.0,AB2C_oC16_63_c_2c_c:Cu-Ge-Pr +mp-4924,Pr(CuGe)2,-4.981711842,-0.5366368810000001,0.0,-0.066801242,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Pr,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Pr +mp-571347,Pr3CuGeSe7,-5.5516437867,-1.5902827755,0.0,-0.0352970303,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-Pr-Se,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_2b8c:Cu-Ge-Pr-Se, expected Pr3CuGeSe26 to be Pr3CuGeSe7" +mp-1219977,PrCuGe,-5.11270832,-0.61166156,0.0,-0.0442593302,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Pr,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Pr +mp-1219892,Pr6Ge3Se14,-5.6013984817,-1.623255926,0.0,-0.0128963235,GGA,P3,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Pr-Se,23.0,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Pr-Se +mp-1206102,Pr2(CuGe)3,-4.9459278238,-0.4798634381,0.0849076975,0.0849076975,GGA,Amm2,A3B3C2_oC16_38_2ab_a2b_ab:Cu-Ge-Pr,8.0,A3B3C2_oC16_38_2ab_a2b_ab:Cu-Ge-Pr +mp-864642,HoSnRh2,-6.640230065,-0.8100809487,0.0,-0.0733134122,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ho-Rh-Sn,4.0,AB2C_cF16_225_a_c_b:Ho-Rh-Sn +mp-20675,HoSiRh,-6.82721269,-1.0365344333,0.0,-0.0361617894,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Rh-Si,12.0,ABC_oP12_62_c_c_c:Ho-Rh-Si +mp-11971,HoSnRh,-6.22276466,-0.904001795,0.0,-0.1278000009,GGA,P-62m,ABC_hP9_189_f_ad_g:Ho-Rh-Sn,9.0,ABC_hP9_189_f_ad_g:Ho-Rh-Sn +mp-21793,HoSi3Rh5,-7.3697709278,-0.9608928933,0.0,-0.0445673825,GGA,P6_3/m,AB5C3_hP54_176_h_5h_3h:Ho-Rh-Si,54.0,"Invalid WP multiplicities - AB5C3_hP54_176_h_8h_4h:Ho-Rh-Si, expected Ho(SiRh2)4 to be HoSi3Rh5" +mp-3895,Ho(SiRh)2,-7.150238514,-1.11790638,0.0,-0.1199274212,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Rh-Si +mp-17485,Ho2Si3Rh,-6.3988533521,-0.9313400688,0.0,-0.043601856,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Ho-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Ho-Rh-Si +mp-1212337,Ho2Si5Rh3,-6.802932203,-0.964499053,0.0,-0.0329601193,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ho-Rh-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ho-Rh-Si +mp-571071,HoSi2Rh3,-7.2705681017,-1.0162400117,0.0,-0.0060605633,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ho-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:Ho-Rh-Si +mp-1188971,Ho2Sn5Rh3,-5.8226371625,-0.6920771,0.0,-0.0166268903,GGA,Cmc2_1,A2B3C5_oC40_36_2a_3a_5a:Ho-Rh-Sn,20.0,A2B3C5_oC40_36_2a_3a_5a:Ho-Rh-Sn +mp-1105133,Ho3Si2(SnRh3)3,-6.9445029888,-0.8912471615,0.0,-0.0678733998,GGA,P-62m,A3B9C2D3_hP17_189_f_gk_c_f:Ho-Rh-Si-Sn,17.0,A3B9C2D3_hP17_189_f_gk_c_f:Ho-Rh-Si-Sn +mp-1224547,Ho5(Sn3Rh)6,-5.3385348003,-0.5361146293,0.0119027555,0.0119027555,GGA,F-43m,A5B6C18_cF116_216_ce_g_abeh:Ho-Rh-Sn,29.0,A5B6C18_cF116_216_ce_g_abeh:Ho-Rh-Sn +mp-1225114,GaFe4Co8Si3,-7.2057878438,-0.3276205117,0.0006709558,0.0006709558,GGA,R-3m,A8B4CD3_hR48_166_4c_2c_a_bc:Co-Fe-Ga-Si,16.0,"Invalid WP multiplicities - A8B4CD3_hR48_166_8c_2c_a_b2c:Co-Fe-Ga-Si, expected GaFe4Co16Si5 to be GaFe4Co8Si3" +mp-1225352,Ga3Fe4Co8Si,-6.8545117156,-0.2759971345,0.0,-0.0030458462,GGA,R-3m,A8B4C3D_hR48_166_4c_2c_ac_b:Co-Fe-Ga-Si,16.0,"Invalid WP multiplicities - A8B4C3D_hR48_166_7c_2c_a2c_b:Co-Fe-Ga-Si, expected Ga5Fe4Co14Si to be Ga3Fe4Co8Si" +mp-1225089,GaFe2Co4Si,-7.0331867563,-0.3048457997,0.0,-0.0030369766,GGA,R-3m,A4B2CD_hR24_166_2c_c_a_b:Co-Fe-Ga-Si,8.0,"Invalid WP multiplicities - A4B2CD_hR24_166_4c_c_a_b:Co-Fe-Ga-Si, expected GaFe2Co8Si to be GaFe2Co4Si" +mp-1111433,Cs2NaScCl6,-4.488322153,-2.4346202427,0.0,-0.014401757,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sc +mp-1113500,Rb2EuAuCl6,-4.5827508130000005,-1.9244336225,0.0616568713,0.0616568713,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Eu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Eu-Rb +mp-1189341,HfTl2PbSe4,-5.1005127237,-1.0531666858,0.0,-0.01004977,GGA,C2/c,ABC4D2_mC32_15_e_e_2f_f:Hf-Pb-Se-Tl,16.0,ABC4D2_mC32_15_e_e_2f_f:Hf-Pb-Se-Tl +mp-1113218,Cs2GaAuCl6,-3.50058393,-1.5821836573,0.1612232917,0.1612232917,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Ga,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Ga +mp-1110733,Rb3CeCl6,-4.404011182,-2.4074200488,0.0658312213,0.0658312213,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-Cl-Rb,10.0,AB6C3_cF40_225_a_e_bc:Ce-Cl-Rb +mp-1210098,Rb2CeCl5,-4.6724510341,-2.5303459591,0.0,-0.0545166878,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ce-Cl-Rb,32.0,AB5C2_oP32_62_c_3cd_d:Ce-Cl-Rb +mp-1113306,Rb2CeCuCl6,-4.414039252,-2.105580859,0.0562173823,0.0562173823,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-Rb +mp-1218115,Ta2Re2SnSe8,-6.8739936362,-0.6754187664,0.1976442253,0.1976442253,GGA,P3m1,A2B8CD2_hP13_156_2a_4b4c_a_2a:Re-Se-Sn-Ta,13.0,A2B8CD2_hP13_156_2a_4b4c_a_2a:Re-Se-Sn-Ta +mp-631375,ReSn2Se,-5.3890529925,0.6008426007000001,0.9351176344,0.9351176344,GGA,F-43m,ABC2_cF16_216_a_c_bd:Re-Se-Sn,4.0,ABC2_cF16_216_a_c_bd:Re-Se-Sn +mp-1103507,Ho(Ni2As)2,-5.9177326771,-0.6289909057,0.0,-0.0391197256,GGA,P4_2/mnm,A2BC4_tP14_136_f_a_i:As-Ho-Ni,14.0,A2BC4_tP14_136_f_a_i:As-Ho-Ni +mp-1206749,HoNiAs,-6.05178524,-1.0445639217,0.0044552825,-0.0106318294,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Ho-Ni,3.0,ABC_hP3_187_a_d_e:As-Ho-Ni +mp-1212066,HoNiAs,-6.0562405225,-1.0490192042,0.0,-0.0150871119,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Ho-Ni,12.0,ABC_hP12_194_f_ab_f:As-Ho-Ni +mp-1191795,Ho2Ni12As7,-5.825933581,-0.5335389745,0.0,-0.0112589028,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ho-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ho-Ni +mp-8787,Ho2NiAs2,-6.087703954,-1.235065708,0.0017374735,0.0017374735,GGA,P6_3/mmc,A2B2C_hP10_194_ac_f_b:As-Ho-Ni,10.0,"Invalid WP multiplicities - A2B2C_hP10_194_a2c_f_b:As-Ho-Ni, expected Ho2NiAs3 to be Ho2NiAs2" +mp-1205128,Ho5Zr3(Ni4As3)4,-6.2972508686,-0.8265077025,0.0,-0.0461565914,GGA,P-62m,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Ho-Ni-Zr,36.0,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Ho-Ni-Zr +mp-1112620,Cs2InAuCl6,-3.507105368,-1.6163463246,0.0954061695,0.0954061695,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-In +mp-1226777,CdAg2SnSe4,-3.6051003075,-0.532447866,0.0388010897,0.0388010897,GGA,Pm,A2BC4D_mP8_6_2b_a_2a2b_a:Ag-Cd-Se-Sn,8.0,A2BC4D_mP8_6_2b_a_2a2b_a:Ag-Cd-Se-Sn +mp-1209077,Sm6Ni20As13,-5.9327887087,-0.6896402555000001,0.4837764455,0.4837764455,GGA,P-6,A13B20C6_hP39_174_a2j2k_cf3j3k_jk:As-Ni-Sm,39.0,A13B20C6_hP39_174_a2j2k_cf3j3k_jk:As-Ni-Sm +mp-1079033,Sm(NiAs)2,-5.939056003,-0.819636742,0.338774584,0.338774584,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Ni-Sm,10.0,A2B2C_tP10_129_ac_bc_c:As-Ni-Sm +mp-567818,Sm(NiAs)2,-5.91060181,-0.7911825490000001,0.367228777,0.367228777,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ni-Sm,5.0,A2B2C_tI10_139_e_d_a:As-Ni-Sm +mp-16734,SmNiAs,-6.0924601633,-1.0398464233,0.4320511383,0.4320511383,GGA,P-6m2,ABC_hP3_187_a_c_f:As-Ni-Sm,3.0,ABC_hP3_187_a_c_f:As-Ni-Sm +mp-1191854,Sm2Ni12As7,-5.8416545529,-0.5362906831,0.3690141504,0.3690141504,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Sm,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Sm +mp-1200970,Sm5Zr3(Ni4As3)4,-6.3237181008,-0.8340614257000001,0.4093365576,0.4093365576,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Sm-Zr,36.0,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Sm-Zr +mp-1112108,Cs2TlSbBr6,-3.314217508,-1.5541555969,0.0135179615,0.0135179615,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Sb-Tl +mp-1111709,CsRb2AsCl6,-3.626461942,-1.7657810538,0.0858467784,0.0858467784,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Cs-Rb +mp-1009547,CsRbAs,-2.3268737067,-0.1485220901,0.1490749601,0.1490749601,GGA,F-43m,ABC_cF12_216_c_a_b:As-Cs-Rb,3.0,ABC_cF12_216_c_a_b:As-Cs-Rb +mp-1112007,Cs2RbAsCl6,-3.689007115,-1.8368393968,0.032640329,0.032640329,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Rb +mp-1213536,CsMo3Cl7,-5.7439042184,-1.5282579164,0.0,-0.0184578839,GGA,P31c,A7BC3_hP44_159_2b4c_ab_2c:Cl-Cs-Mo,44.0,A7BC3_hP44_159_2b4c_ab_2c:Cl-Cs-Mo +mp-1111434,Cs2NaMoCl6,-4.412519897,-1.9074998862,0.0063994258,0.0063994258,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Mo-Na +mp-570990,Cs2MoCl6,-4.4887265233,-1.8523182107,0.0,-0.087924056,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Mo,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Mo +mp-541742,Cs3Mo2Cl9,-4.7388540682,-1.8092585485,0.0,-0.0034673755,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Mo,28.0,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Mo +mp-1111123,Li2InCuCl6,-3.517663079,-1.3416674697,0.2368029917,0.2368029917,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Li,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Li +mp-1096189,LiInCu2,-1.9177471875,1.2970077967,1.4250395873,1.4250395873,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-In-Li,4.0,A2BC_oI8_71_e_a_b:Cu-In-Li +mp-1096237,LiIn2Cu,-1.6975574225,1.1803168267,1.3113058038,1.3113058038,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-In-Li,4.0,AB2C_oI8_71_a_e_b:Cu-In-Li +mp-1224202,In2CuTe3Cl,-3.6200835843,-0.6370795171,0.0707823245,0.0707823245,GGA,P1,ABC2D3_aP7_1_a_a_2a_3a:Cl-Cu-In-Te,7.0,ABC2D3_aP7_1_a_a_2a_3a:Cl-Cu-In-Te +mp-30971,CuTe2Cl,-3.6927584994,-0.6341697202000001,0.0,-0.097108007,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cl-Cu-Te,16.0,ABC2_mP16_14_e_e_2e:Cl-Cu-Te +mp-12341,CsPrZnTe3,-4.0435365425,-1.315874973,0.0,-0.0915459957,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Pr-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_c2f_c:Cs-Pr-Te-Zn, expected CsPrZnTe5 to be CsPrZnTe3" +mp-1195424,Ba5(In2Sb3)2,-3.8293020505,-0.8042609132,0.0,-0.0093109592,GGA,Pmmn,A5B4C6_oP60_59_abefg_2g_2e2g:Ba-In-Sb,60.0,A5B4C6_oP60_59_abefg_2g_2e2g:Ba-In-Sb +mp-1214945,Ba(InSb2)2,-3.8842326168,-0.4644687082,0.0189948965,0.0189948965,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-In-Sb,28.0,AB2C4_oP28_62_c_2c_4c:Ba-In-Sb +mp-21183,Ba(InTe2)2,-3.8763377221,-1.0198282974,0.0,-0.0492560529,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Ba-In-Te,14.0,"Invalid WP multiplicities - AB2C4_oC28_66_a_l_2kl:Ba-In-Te, expected Ba(InTe3)2 to be Ba(InTe2)2" +mp-33985,Ba(InTe2)2,-3.8619336829,-1.0054242581,0.0144040393,-0.0348520136,GGA,I422,AB2C4_tI14_97_a_c_j:Ba-In-Te,7.0,AB2C4_tI14_97_a_c_j:Ba-In-Te +mp-615760,Ba5(InSb3)2,-3.98434607,-0.9172499469,0.0,-0.020083625,GGA,Pbam,A5B2C6_oP26_55_a2g_h_g2h:Ba-In-Sb,26.0,"Invalid WP multiplicities - A5B2C6_oP26_55_a5g_h_g6h:Ba-In-Sb, expected Ba11(InSb7)2 to be Ba5(InSb3)2" +mp-1203298,Ba2InSbTe5,-4.1043563125,-1.1671158329,0.0037866817,0.0037866817,GGA,Pnma,A2BCD5_oP36_62_2c_c_c_5c:Ba-In-Sb-Te,36.0,A2BCD5_oP36_62_2c_c_c_5c:Ba-In-Sb-Te +mp-1179901,NaCu3NiSe4,-4.1719142767,-0.4625889551,0.0799571791,0.0799571791,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Na-Ni-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Na-Ni-Se +mp-1217592,TbDy3Co8,-6.4462630517,-0.1694906367,0.0290359642,0.0290359642,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Co-Dy-Tb,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Co-Dy-Tb, expected TbDy3Co20 to be TbDy3Co8" +mp-1217623,TbDy3(FeCo)4,-6.8873312083,-0.156657655,0.0,-0.0056673611,GGA,Cm,A4B3C4D_mC24_8_2b_3a_4a_a:Co-Dy-Fe-Tb,,"Invalid WP multiplicities - A4B3C4D_mC24_8_4b_3a_4a_a:Co-Dy-Fe-Tb, expected TbDy3(FeCo2)4 to be TbDy3(FeCo)4" +mp-1217710,Tb2FeCo3,-6.6741377617,-0.1635199625,0.0,-0.0107544703,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Fe-Tb,6.0,A3BC2_hR18_166_d_a_c:Co-Fe-Tb +mp-1217585,TbDy3Fe8,-7.2579316417,-0.07335695,9.62992e-05,9.62992e-05,GGA,R3m,A3B8C_hR36_160_3a_2a2b_a:Dy-Fe-Tb,12.0,"Invalid WP multiplicities - A3B8C_hR36_160_3a_2a6b_a:Dy-Fe-Tb, expected TbDy3Fe20 to be TbDy3Fe8" +mp-1218953,SnGe4Te4Se,-4.243446988,-0.3863651554,0.0,-0.0100796252,GGA,R3m,A4BCD4_hR30_160_4a_a_a_4a:Ge-Se-Sn-Te,10.0,A4BCD4_hR30_160_4a_a_a_4a:Ge-Se-Sn-Te +mp-1219030,Sn4GeTe4Se,-4.1589938,-0.4859487674,0.0092206211,0.0092206211,GGA,R3m,ABC4D4_hR30_160_a_a_4a_4a:Ge-Se-Sn-Te,10.0,ABC4D4_hR30_160_a_a_4a_4a:Ge-Se-Sn-Te +mp-1219050,Sn2GeTe3,-4.06809945,-0.3894179092,0.0430947667,0.0430947667,GGA,Pm,AB2C3_mP24_6_4a_2a6b_6a6b:Ge-Sn-Te,24.0,AB2C3_mP24_6_4a_2a6b_6a6b:Ge-Sn-Te +mp-1218976,Sn2GeTe3,-4.0911625883,-0.4124810475,0.0200316283,0.0200316283,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Ge-Sn-Te,6.0,AB2C3_hP6_164_a_d_bd:Ge-Sn-Te +mp-1218835,SnGeSe2,-4.4571270138,-0.5510213474,0.0091052319,0.0091052319,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Ge-Se-Sn,8.0,AB2C_oP8_26_a_ab_b:Ge-Se-Sn +mp-1207245,LaNiGe3,-5.5452621440000005,-0.628216674,0.0,-0.006244829,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ge-La-Ni,5.0,A3BC_tI10_107_ab_a_a:Ge-La-Ni +mp-1224721,LaFe(Ni2Ge)4,-5.9739375568,-0.3925637586,0.0199541475,0.0199541475,GGA,Fmm2,AB4CD8_oF112_42_c_2c2d_b_2ac2d2e:Fe-Ge-La-Ni,28.0,"Invalid WP multiplicities - AB4CD8_oF112_42_c_2c2d_b_2ac2d3e:Fe-Ge-La-Ni, expected LaFe(Ni5Ge2)2 to be LaFe(Ni2Ge)4" +mp-1387889,La11(Ni2Ge3)2,-5.6813379448,-0.6739668969,0.0075983557,-0.0516018489,GGA,Cm,A6B11C4_mC42_8_6a_11a_4a:Ge-La-Ni,21.0,"Invalid WP multiplicities - A6B11C4_mC42_12_4i_a10i_3i:Ge-La-Ni, expected La21(Ni3Ge4)2 to be La11(Ni2Ge3)2" +mp-627405,La11(Ni2Ge3)2,-5.6889363005,-0.6815652526,0.0,-0.0592002046,GGA,C2/m,A6B11C4_mC42_12_3i_a5i_2i:Ge-La-Ni,21.0,"Invalid WP multiplicities - A6B11C4_mC42_12_4i_a10i_3i:Ge-La-Ni, expected La21(Ni3Ge4)2 to be La11(Ni2Ge3)2" +mp-19979,La(NiGe)2,-5.83947421,-0.6910069750000001,0.0,-0.0472385521,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-La-Ni,5.0,A2BC2_tI10_139_e_a_d:Ge-La-Ni +mp-1222931,LaFeNi4,-6.288251745,-0.2004892392,0.0510835392,0.0510835392,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Fe-La-Ni,6.0,ABC4_hP6_187_a_c_ek:Fe-La-Ni +mp-1194233,LaNi9Ge4,-5.8061858889,-0.4169467,0.0,-2.05379e-05,GGA,I4/mcm,A4BC9_tI56_140_l_a_dkl:Ge-La-Ni,28.0,A4BC9_tI56_140_l_a_dkl:Ge-La-Ni +mp-1211722,La5NiGe3,-5.5606323211,-0.6351594578,0.0652138828,0.0652138828,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Ge-La-Ni,18.0,A3B5C_hP18_193_g_dg_b:Ge-La-Ni +mp-1225085,Fe3Ni3Ge2,-6.5777971462,-0.0782309737,0.1192420475,0.1192420475,GGA,R3m,A3B2C3_hR24_160_3a_2a_3a:Fe-Ge-Ni,8.0,A3B2C3_hR24_160_3a_2a_3a:Fe-Ge-Ni +mp-1225094,FeNi2Ge,-6.3249987625,-0.1616681562,0.0666561833,0.0666561833,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Fe-Ge-Ni,4.0,ABC2_tP4_123_a_c_e:Fe-Ge-Ni +mp-21077,LaNiGe2,-5.76801468,-0.7774648063,0.0,-0.0746709431,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-La-Ni,8.0,A2BC_oC16_63_2c_c_c:Ge-La-Ni +mp-1024972,FeNiGe,-6.3555880133,-0.0645260983,0.1542234626,0.1542234626,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-Ge-Ni,6.0,ABC_hP6_194_c_d_a:Fe-Ge-Ni +mp-1206550,FeNiGe,-6.4465064533,-0.1554445383,0.0633050226,0.0633050226,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Fe-Ge-Ni,6.0,ABC_hP6_194_a_c_d:Fe-Ge-Ni +mp-1104302,La(Ni2Sn)2,-5.5869085436,-0.4332374671,0.0,-0.0058788944,GGA,I4/mcm,AB4C2_tI28_140_a_l_h:La-Ni-Sn,14.0,AB4C2_tI28_140_a_l_h:La-Ni-Sn +mp-13093,La3Ni2Sn7,-5.1804495733,-0.6441747683,0.0,-0.0167081658,GGA,Cmmm,A3B2C7_oC24_65_ah_g_c2gh:La-Ni-Sn,12.0,A3B2C7_oC24_65_ah_g_c2gh:La-Ni-Sn +mp-1078717,La(NiSn)2,-5.468574019,-0.565489184,0.0,-0.0146785113,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:La-Ni-Sn,10.0,AB2C2_tP10_129_c_ac_bc:La-Ni-Sn +mp-21080,La(NiSn)2,-5.419670128,-0.516585293,0.048903891,0.0342253797,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Ni-Sn,5.0,AB2C2_tI10_139_a_d_e:La-Ni-Sn +mp-1223411,La4Ni3Sn8,-5.265335632,-0.654601412,0.0078993384,0.0078993384,GGA,Pmm2,A4B3C8_oP15_25_abcd_abc_2a2b2c2d:La-Ni-Sn,15.0,A4B3C8_oP15_25_abcd_abc_2a2b2c2d:La-Ni-Sn +mp-12613,LaNiSn,-5.54194912,-0.6333772400000001,0.0,-0.0414960877,GGA,Pnma,ABC_oP12_62_c_c_c:La-Ni-Sn,12.0,ABC_oP12_62_c_c_c:La-Ni-Sn +mp-1193093,LaNi5Sn,-5.7701149239,-0.3635060154,0.0,-0.0247337592,GGA,P6_3/mmc,AB5C_hP28_194_ac_bdfk_f:La-Ni-Sn,28.0,AB5C_hP28_194_ac_bdfk_f:La-Ni-Sn +mp-1079607,LiLaSn2,-4.3505080112,-0.6344895908,0.0,-0.0138406538,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Li-Sn,8.0,ABC2_oC16_63_c_c_2c:La-Li-Sn +mp-1223308,La2NiSn4,-5.1903004914,-0.6630950186,0.0094783294,0.0094783294,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:La-Ni-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:La-Ni-Sn +mp-861894,Li2LaSn,-3.6811032775,-0.4902471042,0.0,-0.0241742187,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Li-Sn,4.0,AB2C_cF16_225_a_c_b:La-Li-Sn +mp-1084757,LaNiSn2,-5.3375091013,-0.6536872275000001,0.0,-0.0213638725,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Ni-Sn,8.0,ABC2_oC16_63_c_c_2c:La-Ni-Sn +mp-1211827,Li2La3Ni2Sn7,-4.531538665,-0.3705998512,0.2401549493,0.2401549493,GGA,Cmmm,A3B2C2D7_oC28_65_cg_g_h_ag2h:La-Li-Ni-Sn,14.0,A3B2C2D7_oC28_65_cg_g_h_ag2h:La-Li-Ni-Sn +mp-13915,LiNi2Sn,-4.643616745,-0.2739247246,0.0,-0.0220788033,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Li-Ni-Sn +mp-10780,RbSmSe2,-5.13854549,-1.9658096993,0.0,-0.1557680578,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-Se-Sm,4.0,AB2C_hR12_166_a_c_b:Rb-Se-Sm +mp-16116,RbSm2CuSe4,-5.3000679225,-1.7374980571,0.0,-0.0202222247,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cu-Rb-Se-Sm,16.0,"Invalid WP multiplicities - ABC4D2_oC32_63_c_c_ac2f_f:Cu-Rb-Se-Sm, expected RbSm2CuSe6 to be RbSm2CuSe4" +mp-38162,Sm5CuSe8,-5.8709082,-1.8952346881,0.0756157284,0.0756157284,GGA,I-4,AB8C5_tI28_82_a_2g_cg:Cu-Se-Sm,14.0,"Invalid WP multiplicities - AB8C5_tI28_82_a_4g_c2g:Cu-Se-Sm, expected Sm9CuSe16 to be Sm5CuSe8" +mp-1173540,Sm31(CuSe16)3,-6.0026636917,-2.0224497756,0.0463730216,0.0463730216,GGA,P1,A3B48C31_aP82_1_3a_48a_31a:Cu-Se-Sm,82.0,A3B48C31_aP82_1_3a_48a_31a:Cu-Se-Sm +mp-568224,Sm3CuSe6,-5.642238613,-1.7191952189,0.0293977979,0.0293977979,GGA,P2_1/m,AB6C3_mP40_11_f_2e5f_2e2f:Cu-Se-Sm,40.0,"Invalid WP multiplicities - AB6C3_mP40_11_f_4e18f_4e5f:Cu-Se-Sm, expected Sm7CuSe20 to be Sm3CuSe6" +mp-1219332,Sm3CuSe6,-5.647513721,-1.7244703269,0.0241226899,0.0241226899,GGA,Pca2_1,AB6C3_oP40_29_a_6a_3a:Cu-Se-Sm,40.0,"Invalid WP multiplicities - AB6C3_oP40_29_a_8a_4a:Cu-Se-Sm, expected Sm4CuSe8 to be Sm3CuSe6" +mp-11793,SmCuSe2,-5.4211459056,-1.4687419655,0.0,-0.0108174469,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cu-Se-Sm,16.0,AB2C_mP16_14_e_2e_e:Cu-Se-Sm +mp-17667,Sr3AlSb3,-3.98814253,-0.9594196857,0.0,-0.0488743471,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Al-Sb-Sr,28.0,AB3C3_oC56_64_d_fg_fg:Al-Sb-Sr +mp-1218153,SrLiAlSb2,-3.80499527,-0.684596344,0.029460243,0.029460243,GGA,P3m1,ABC2D_hP5_156_a_b_ab_c:Al-Li-Sb-Sr,5.0,ABC2D_hP5_156_a_b_ab_c:Al-Li-Sb-Sr +mp-28392,Sr5(AlSb3)2,-4.0217130527,-0.8899725629,0.0,-0.0023789133,GGA,Pnma,A2B6C5_oP52_62_2c_4cd_c2d:Al-Sb-Sr,52.0,"Invalid WP multiplicities - A2B6C5_oP52_62_6c_12c6d_4c8d:Al-Sb-Sr, expected Sr10(AlSb4)3 to be Sr5(AlSb3)2" +mp-1097457,Sr2LiAl,-0.85286573,1.4055056708,1.5184633723,1.5184633723,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Li-Sr,4.0,ABC2_oI8_71_a_b_e:Al-Li-Sr +mp-540803,Sr3(LiSb)4,-3.5984976736,-0.9421179658,0.0,-0.0122107811,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Li-Sb-Sr,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_eg_b2f:Li-Sb-Sr, expected Sr5(LiSb)4 to be Sr3(LiSb)4" +mp-7756,SrLiSb,-3.5955682183,-1.019762365,0.0,-0.1063307235,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Sb-Sr,12.0,ABC_oP12_62_c_c_c:Li-Sb-Sr +mp-1100426,SrLiSb,-3.0091886833,-0.43338283,0.5863795350000001,0.4800488115,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Sb-Sr,3.0,ABC_cF12_216_a_b_c:Li-Sb-Sr +mp-570995,TiHg6As4Cl7,-3.1543476179,-0.8602473709,0.0012916451,0.0012916451,GGA,Pa-3,A4B7C6D_cP72_205_2c_ad_d_b:As-Cl-Hg-Ti,72.0,"Invalid WP multiplicities - A4B7C6D_cP72_205_10c_4a5d_d_b:As-Cl-Hg-Ti, expected TiHg6(As10Cl17)2 to be TiHg6As4Cl7" +mp-1212038,InFe(CuSe2)2,-4.7068935675,-0.5314230437,0.0540272763,0.0540272763,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-In-Se,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-In-Se +mp-22611,InFe2CuSe4,-5.1600288113,-0.4382064699,0.1500593706,0.1500593706,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Cu-Fe-In-Se,8.0,AB2CD4_tI16_121_a_d_b_i:Cu-Fe-In-Se +mp-35539,Zn2GeSe4,-3.7971900957,-0.7791670978,0.012863098,0.012863098,GGA,I-42m,AB4C2_tI14_121_a_i_d:Ge-Se-Zn,7.0,AB4C2_tI14_121_a_i_d:Ge-Se-Zn +mp-1194749,Cs2ZnGe3Se8,-4.1200539448,-0.9138451062,0.0,-0.0425841336,GGA,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Cs-Ge-Se-Zn,56.0,A2B3C8D_oP56_19_2a_3a_8a_a:Cs-Ge-Se-Zn +mp-619101,Cs6ZnGe8,-3.1074879769,-0.1997292647,0.0,-0.0303518076,GGA,Fmm2,A6B8C_oF180_42_2a2c2d2e_2c5e_ad:Cs-Ge-Zn,45.0,"Invalid WP multiplicities - A6B8C_oF180_42_2a4c4d8e_4c19e_a2d:Cs-Ge-Zn, expected Cs50Zn5Ge84 to be Cs6ZnGe8" +mp-18303,Nd3CuSnSe7,-5.4902064183,-1.5831563212000002,0.0,-0.0042788751,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Nd-Se-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b3c_b:Cu-Nd-Se-Sn, expected Nd3CuSnSe10 to be Nd3CuSnSe7" +mp-1209987,NdCu5Sn,-4.4312141946,-0.2492495321,0.0024770889,0.0024770889,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Nd-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Nd-Sn +mp-20774,NdCuSn,-4.8796707683000005,-0.5873621158,0.0,-0.0504542902,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Nd-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Nd-Sn +mp-1071618,NdCuSn,-4.86496285,-0.5726541975,0.0147079183,-0.0357463719,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Nd-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Nd-Sn +mp-864792,Nd3(CuSn)4,-4.7795467909,-0.5304962093,0.0,-0.0350910878,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Nd-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Nd-Sn +mp-607080,NdCu9Sn4,-4.2681903939,-0.146812188,0.0010077935,0.0010077935,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Cu-Nd-Sn,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_d5k5l_a_l:Cu-Nd-Sn, expected NdCu41Sn4 to be NdCu9Sn4" +mp-1206868,Nd2(CuSn)3,-3.661177515,0.57165129,1.0598820908,1.0598820908,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Cu-Nd-Sn,8.0,A3B2C3_tP8_123_ag_g_bg:Cu-Nd-Sn +mp-1205509,Nd2Cu4Sn5,-4.4309905318,-0.2509013664,0.1121812768,0.1121812768,GGA,I4mm,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Nd-Sn,11.0,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Nd-Sn +mp-28768,Na4SnSe4,-3.7164535756,-1.1294181378,0.0,-0.0270474839,GGA,P-42_1c,A4B4C_tP18_114_e_e_a:Na-Se-Sn,18.0,A4B4C_tP18_114_e_e_a:Na-Se-Sn +mp-16889,Na6Sn2Se7,-3.774040432,-1.0789953777,0.0070496159,0.0070496159,GGA,C2/c,A6B7C2_mC60_15_ae2f_e3f_f:Na-Se-Sn,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_c2e4f_2e7f_f:Na-Se-Sn, expected Na11(SnSe8)2 to be Na6Sn2Se7" +mp-568543,Na2SnSe3,-3.8653203129,-1.0082608338,0.0127244435,0.0022435479,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Na-Se-Sn,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_6e_8e_e:Na-Se-Sn, expected Na6SnSe8 to be Na2SnSe3" +mp-571470,Na2SnSe3,-3.8780447565,-1.0209852773,0.0,-0.0104808956,GGA,Pnma,A2B3C_oP144_62_6d_4c7d_2c2d:Na-Se-Sn,144.0,"Invalid WP multiplicities - A2B3C_oP144_62_42d_16c51d_7c9d:Na-Se-Sn, expected Na84Sn25Se118 to be Na2SnSe3" +mp-16167,Na2Sn2Se5,-4.0080801653,-0.8809966447,0.0175812446,0.0175812446,GGA,Pbca,A2B5C2_oP72_61_2c_5c_2c:Na-Se-Sn,72.0,"Invalid WP multiplicities - A2B5C2_oP72_61_2c_10c_3c:Na-Se-Sn, expected Na2Sn3Se10 to be Na2Sn2Se5" +mp-623030,Na3CuSnSe4,-3.8379035031,-0.9423479124,0.0166703036,0.0166703036,GGA,P2_1/c,AB3C4D_mP36_14_e_3e_4e_e:Cu-Na-Se-Sn,36.0,"Invalid WP multiplicities - AB3C4D_mP36_14_e_10e_15e_e:Cu-Na-Se-Sn, expected Na10CuSnSe15 to be Na3CuSnSe4" +mp-1179860,NaCu3SnSe4,-3.9168432922,-0.4042473957,0.2139709768,0.2139709768,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Sn,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Sn +mp-1228719,Al37(Fe6Cu)2,-5.1964705796,-0.3253926665,0.0,-0.0053573923,GGA,Cm,A37B2C12_mC102_8_15a11b_2a_8a2b:Al-Cu-Fe,51.0,A37B2C12_mC102_8_15a11b_2a_8a2b:Al-Cu-Fe +mp-31403,Al39Fe7Cu24,-4.3713692874,-0.03210406,0.2279494724,0.2279494724,GGA,Pm-3,A39B24C7_cP140_200_e2j2kl_fhjl_abk:Al-Cu-Fe,140.0,A39B24C7_cP140_200_e2j2kl_fhjl_abk:Al-Cu-Fe +mp-1096521,Al2FeCu,-2.95613736,2.058957525,2.3444839769,2.3444839769,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cu-Fe,4.0,A2BC_oI8_71_e_a_b:Al-Cu-Fe +mp-4689,Al7FeCu2,-4.548342317,-0.259595781,0.0,-0.0165709669,GGA,P4/mnc,A7B2C_tP40_128_egi_h_e:Al-Cu-Fe,40.0,"Invalid WP multiplicities - A7B2C_tP40_128_eg2i_h_e:Al-Cu-Fe, expected Al11FeCu2 to be Al7FeCu2" +mp-1189235,Sc2Co3Si5,-6.81667901,-0.7050308355,0.0,-0.0170668082,GGA,C2/c,A3B2C5_mC40_15_ef_f_3ef:Co-Sc-Si,20.0,A3B2C5_mC40_15_ef_f_3ef:Co-Sc-Si +mp-1189893,Sc2Co3Si5,-6.802076369,-0.6904281945,0.014602641,-0.0024641672,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Co-Sc-Si,20.0,A3B2C5_oI40_72_aj_j_bfj:Co-Sc-Si +mp-1199097,ScFeSi2,-7.0557671567,-0.6424855629,0.0368305898,0.0368305898,GGA,Pbam,ABC2_oP48_55_ei_gi_2g2hi:Fe-Sc-Si,48.0,ABC2_oP48_55_ei_gi_2g2hi:Fe-Sc-Si +mp-30076,ScFeSi2,-7.0529266606,-0.6396450669,0.0396710858,0.0396710858,GGA,Cmce,ABC2_oC96_64_cef_3f_de4f:Fe-Sc-Si,48.0,"Invalid WP multiplicities - ABC2_oC96_64_cef_5f_2d3e4f:Fe-Sc-Si, expected Sc5(FeSi3)3 to be ScFeSi2" +mp-505554,Sc(FeSi)2,-7.451126582,-0.626497065,0.0,-0.036621342,GGA,Pbcm,A2BC2_oP20_57_cd_d_cd:Fe-Sc-Si,20.0,A2BC2_oP20_57_cd_d_cd:Fe-Sc-Si +mp-4755,Sc3Fe2Si3,-7.2521554862,-0.7254800081,0.0,-0.0119184066,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Sc-Si,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_2c2f_2c2f:Fe-Sc-Si, expected Sc3FeSi3 to be Sc3Fe2Si3" +mp-21588,Sc2Fe3Si5,-7.1750525132,-0.6548933143,0.0,-0.0457089907,GGA,P4/mnc,A3B2C5_tP40_128_dh_h_egh:Fe-Sc-Si,40.0,A3B2C5_tP40_128_dh_h_egh:Fe-Sc-Si +mp-1219384,Sc4CoSi7,-6.29694795,-0.4289962479,0.2162845565,0.2162845565,GGA,Pmm2,AB4C7_oP12_25_a_abcd_a2b2c2d:Co-Sc-Si,12.0,AB4C7_oP12_25_a_abcd_a2b2c2d:Co-Sc-Si +mp-9902,Sc2CoSi2,-6.938199366,-0.8134209530000001,0.0,-0.001215252,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Sc-Si,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_4i:Co-Sc-Si, expected Sc4CoSi4 to be Sc2CoSi2" +mp-1219439,Sc3(FeSi3)2,-6.7229586948,-0.4966534298,0.1497003221,0.1497003221,GGA,Cmce,A2B3C6_oC88_64_cf_3f_de4f:Fe-Sc-Si,44.0,A2B3C6_oC88_64_cf_3f_de4f:Fe-Sc-Si +mp-9901,Sc3Co2Si3,-6.9951876206,-0.8089379963000001,0.0067210762,0.0067210762,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Sc-Si,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_2c2f_2c2f:Co-Sc-Si, expected Sc3CoSi3 to be Sc3Co2Si3" +mp-542493,Sc5(Co2Si5)2,-6.7205688434,-0.7022111063,0.0,-0.0106100844,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Co-Sc-Si,38.0,A4B5C10_tP38_127_i_a2h_gij:Co-Sc-Si +mp-1219437,Sc2Fe3Si,-7.6748873942,-0.4248340825,0.0725083883,0.0414039654,GGA,Amm2,A3B2C_oC24_38_abcd_2c_e:Fe-Sc-Si,12.0,"Invalid WP multiplicities - A3B2C_oC24_38_abcd_3c_e:Fe-Sc-Si, expected Sc3Fe3Si to be Sc2Fe3Si" +mp-1102564,Sc2Fe3Si,-7.7473957825,-0.4973424708,0.0,-0.0311044229,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Fe-Sc-Si,12.0,A3B2C_hP12_194_h_f_a:Fe-Sc-Si +mp-22701,ScFeSi,-7.4011359575,-0.6585331758,0.0,-0.0020805729,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Sc-Si,12.0,ABC_oP12_62_c_c_c:Fe-Sc-Si +mp-1192939,Sc6Co16Si7,-7.1683247034,-0.6267686497,0.0,-0.0691194528,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Co-Sc-Si,29.0,A16B6C7_cF116_225_2f_e_ad:Co-Sc-Si +mp-27319,Sc2Co3Si,-7.1691730525,-0.5999714483,0.0,-0.0135818775,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Co-Sc-Si,12.0,A3B2C_hP12_194_h_f_a:Co-Sc-Si +mp-1104929,Sc(Fe2Si)2,-7.760724825,-0.4659833957,0.0,-0.005345913,GGA,P4_2/mnm,A4BC2_tP14_136_i_a_f:Fe-Sc-Si,14.0,A4BC2_tP14_136_i_a_f:Fe-Sc-Si +mp-1219407,Sc4FeSi7,-6.3888822825,-0.4074552958,0.2257403742,0.2257403742,GGA,Pmm2,AB4C7_oP12_25_a_abcd_a2b2c2d:Fe-Sc-Si,12.0,AB4C7_oP12_25_a_abcd_a2b2c2d:Fe-Sc-Si +mp-1219497,Sc(Fe5Si)2,-8.0782767238,-0.2410984727,0.0140122529,0.0140122529,GGA,Immm,A10BC2_oI26_71_efgk_a_h:Fe-Sc-Si,13.0,A10BC2_oI26_71_efgk_a_h:Fe-Sc-Si +mp-4131,Sc(CoSi)2,-7.042856568,-0.762908417,0.0,-0.0391170065,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Sc-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Sc-Si +mp-1103034,ScCoSi,-7.108090915,-0.8193892717,0.0,-0.0635952619,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Sc-Si,12.0,ABC_oP12_62_c_c_c:Co-Sc-Si +mp-1024998,ScCoSi,-6.3700480617,-0.0813464183,0.7380428533000001,0.6744475914,GGA,Cmcm,ABC_oC12_63_c_c_c:Co-Sc-Si,6.0,ABC_oC12_63_c_c_c:Co-Sc-Si +mp-3618,Sc2FeSi2,-7.143697753,-0.746578657,0.0,-0.0059085815,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Sc-Si,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_4i:Fe-Sc-Si, expected Sc4FeSi4 to be Sc2FeSi2" +mp-2917,Dy(CuSi)2,-5.298409578,-0.56724233,0.0,-0.1090947428,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Dy-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Dy-Si +mp-1225280,DyCuSi,-5.32232804,-0.61189086,0.0343417367,-0.0173158539,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Dy-Si,3.0,ABC_hP3_187_a_d_e:Cu-Dy-Si +mp-5365,DyCuSi,-5.3566697767,-0.6462325967,0.0,-0.0516575906,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Dy-Si,6.0,ABC_hP6_194_c_a_d:Cu-Dy-Si +mp-569557,Dy3CuSiSe7,-5.5669639712,-1.5822751743,0.0,-0.0154849979,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Dy-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b5c_b:Cu-Dy-Se-Si, expected Dy3CuSiSe17 to be Dy3CuSiSe7" +mp-1212995,Dy3Cu11Si4,-4.7871356542,-0.3086408758,0.0701369042,0.0701369042,GGA,P6_3/mmc,A11B3C4_hP36_194_fhk_h_bg:Cu-Dy-Si,36.0,A11B3C4_hP36_194_fhk_h_bg:Cu-Dy-Si +mp-12732,Dy3(CuSi)4,-5.3309134973,-0.6110535591,0.0,-0.0007256291,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Dy-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Dy-Si +mp-1113284,Na2LiTmCl6,-4.267582776,-2.2554798923,0.1899343938,0.1899343938,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Tm +mp-569465,Cs2Nb6PbCl18,-5.477951457,-1.7970276817,0.0,-0.0201154031,GGA,R-3,A18B2C6D_hR81_148_3f_c_f_a:Cl-Cs-Nb-Pb,27.0,"Invalid WP multiplicities - A18B2C6D_hR81_148_16f_c_f_a:Cl-Cs-Nb-Pb, expected Cs2Nb6PbCl96 to be Cs2Nb6PbCl18" +mp-1097709,CsPb2Cl5,-3.9120165,-1.7165940235,0.0514448738,0.0495798912,GGA,P1,A5BC2_aP8_1_5a_a_2a:Cl-Cs-Pb,8.0,A5BC2_aP8_1_5a_a_2a:Cl-Cs-Pb +mp-984872,CsPb2Cl5,-3.9634613738,-1.7680388972,0.0,-0.0018649825,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Cl-Cs-Pb,16.0,A5BC2_tI32_140_cl_a_h:Cl-Cs-Pb +mp-23425,Cs2PbCl6,-3.5887191689,-1.7448667495,0.0,-0.1273521983,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Pb,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Pb +mp-675524,CsPbCl3,-3.916884596,-1.8861527116,0.003160323,-0.0135029476,GGA,Amm2,A3BC_oC20_38_2ade_2b_d:Cl-Cs-Pb,10.0,"Invalid WP multiplicities - A3BC_oC20_38_2a2de_2b_d:Cl-Cs-Pb, expected CsPbCl4 to be CsPbCl3" +mp-1539667,CsPbCl3,-3.920044919,-1.8893130346,0.0,-0.0166632706,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:Cl-Cs-Pb,10.0,"Invalid WP multiplicities - A3BC_tP10_127_b2g_c_a:Cl-Cs-Pb, expected CsPbCl5 to be CsPbCl3" +mp-675022,CsPbCl3,-3.908291924,-1.8775600396,0.011752995,-0.0049102756,GGA,R32,A3BC_hR15_155_d_a_b:Cl-Cs-Pb,5.0,A3BC_hR15_155_d_a_b:Cl-Cs-Pb +mp-23037,CsPbCl3,-3.911754424,-1.8810225396,0.008290495,-0.0083727756,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Pb,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Pb +mp-1190733,Cs4PbCl6,-3.7722986114,-2.1008916552,0.0,-0.0121402082,GGA,R-3c,A6B4C_hR66_167_f_ae_b:Cl-Cs-Pb,22.0,A6B4C_hR66_167_f_ae_b:Cl-Cs-Pb +mp-582146,CsNb4Cl11,-5.6373703359,-1.7852124739000002,0.0,-0.0024558837,GGA,Pmma,A11BC4_oP32_51_eijkl_f_gi:Cl-Cs-Nb,32.0,"Invalid WP multiplicities - A11BC4_oP32_51_2e3i4j4k4l_f_2g3i:Cl-Cs-Nb, expected Cs(NbCl4)10 to be CsNb4Cl11" +mp-1214012,Cs(Nb2Cl5)3,-5.8073340392,-1.7513666523,0.0,-0.0172873054,GGA,Pmma,A15BC6_oP88_51_efgijk5l_k_2ej2l:Cl-Cs-Nb,88.0,A15BC6_oP88_51_efgijk5l_k_2ej2l:Cl-Cs-Nb +mp-1213080,CsNbCl6,-4.7005291437,-1.9395382222,0.0,-0.068612686,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Cs-Nb,16.0,A6BC_mC32_15_3f_e_a:Cl-Cs-Nb +mp-1110721,Rb2NdCuBr6,-3.869573776,-1.8549145532,0.0701264015,0.0701264015,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-Nd-Rb +mp-1079507,CeFeSb2,-6.2882776112,-0.6229994,0.0546384637,0.0546384637,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ce-Fe-Sb,8.0,ABC2_tP8_129_c_a_bc:Ce-Fe-Sb +mp-13464,Ca(FeSb3)4,-5.3138810788,-0.2883693376,0.0,-0.025410911,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ca-Fe-Sb,17.0,AB4C12_cI34_204_a_c_g:Ca-Fe-Sb +mp-1181682,Ce(FeSb3)4,-5.6029898576,-0.3464493356,0.0,-0.053351985,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ce-Fe-Sb,17.0,AB4C12_cI34_204_a_c_g:Ce-Fe-Sb +mp-1228062,CaCe(FeSb3)8,-5.4592562253,-0.3182300937,0.0,-0.0008207571,GGA,C2/m,ABC8D24_mC68_12_a_d_efj_4i4j:Ca-Ce-Fe-Sb,34.0,"Invalid WP multiplicities - ABC8D24_mC68_12_a_d_2e2f2j_6i11j:Ca-Ce-Fe-Sb, expected CaCe(Fe2Sb7)8 to be CaCe(FeSb3)8" +mp-13949,Cd(GaTe2)2,-3.41464216,-0.6214556774000001,0.0,-0.016490609,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cd-Ga-Te,7.0,AB2C4_tI14_82_a_bc_g:Cd-Ga-Te +mp-36641,Cd(Ga3Te5)2,-3.5618562759,-0.5898254036,0.0044259376,0.0044259376,GGA,C2,AB6C10_mC34_5_a_3c_5c:Cd-Ga-Te,17.0,"Invalid WP multiplicities - AB6C10_mC34_5_a_5c_8c:Cd-Ga-Te, expected Cd(Ga5Te8)2 to be Cd(Ga3Te5)2" +mp-1227008,Cd2GaCuTe4,-3.2527297875,-0.5594415643,0.0229456988,0.0229456988,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-Ga-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-Ga-Te +mp-1226989,Cd3(GaTe3)2,-3.1366261982,-0.6198355905,0.0190211655,0.0190211655,GGA,C2,A3B2C6_mC22_5_ac_c_3c:Cd-Ga-Te,,"Invalid WP multiplicities - A3B2C6_mC22_5_a2c_c_5c:Cd-Ga-Te, expected Cd5(GaTe5)2 to be Cd3(GaTe3)2" +mp-3839,GaCuTe2,-3.8489445025,-0.4954658827,0.0,-0.0566690635,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-Ga-Te,8.0,ABC2_tI16_122_a_b_d:Cu-Ga-Te +mp-1224787,GaCuTe2,-3.63089458,-0.2774159602,0.2180499225,0.161380859,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cu-Ga-Te,4.0,ABC2_tP4_123_a_d_bc:Cu-Ga-Te +mp-676248,GaCuTe2,-3.6449669588,-0.291488339,0.2039775437,0.1473084802,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Cu-Ga-Te,8.0,ABC2_tI16_141_a_b_e:Cu-Ga-Te +mp-1224825,GaCuTe2,-3.7991780125,-0.4456993927,0.04976649,-0.0069025735,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-Ga-Te,4.0,ABC2_hR12_160_a_a_2a:Cu-Ga-Te +mp-1224815,GaCuTe2,-3.66071624,-0.3072376202,0.1882282625,0.131559199,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Ga-Te,4.0,ABC2_hR12_166_a_b_c:Cu-Ga-Te +mp-1212671,Ga5CuTe8,-3.7181538679,-0.5477157301,0.0047090264,0.0047090264,GGA,P-42m,AB5C8_tP14_111_a_bm_2n:Cu-Ga-Te,14.0,AB5C8_tP14_111_a_bm_2n:Cu-Ga-Te +mp-570590,CdBiSe2Br,-3.537612262,-0.8759662269,0.02869153,0.02869153,GGA,Pnma,ABCD2_oP20_62_c_c_c_2c:Bi-Br-Cd-Se,20.0,"Invalid WP multiplicities - ABCD2_oP20_62_c_c_c_4c:Bi-Br-Cd-Se, expected CdBiSe4Br to be CdBiSe2Br" +mp-29857,Bi3Se4Br,-4.1369581275,-0.7546904237000001,0.0275923625,0.0275923625,GGA,C2/m,A3BC4_mC32_12_3i_i_4i:Bi-Br-Se,16.0,A3BC4_mC32_12_3i_i_4i:Bi-Br-Se +mp-569707,BiSeBr,-3.8911718433,-0.9280288641,0.00932558,0.00932558,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Br-Se,12.0,ABC_oP12_62_c_c_c:Bi-Br-Se +mp-1220796,Na5SrNbAs4,-3.9755682686,-0.6083047613,0.0,-0.026311207,GGA,Cc,A4B5CD_mC44_9_4a_5a_a_a:As-Na-Nb-Sr,22.0,"Invalid WP multiplicities - A4B5CD_mC44_9_7a_10a_a_a:As-Na-Nb-Sr, expected Na10SrNbAs7 to be Na5SrNbAs4" +mp-631481,NaSrNb2,-4.2286354825,1.5750217242,1.5750217242,1.5750217242,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Nb-Sr,4.0,AB2C_cF16_225_a_c_b:Na-Nb-Sr +mp-541570,SrZrSe3,-6.0233354895,-1.8783497862,0.0271145585,0.0271145585,GGA,Pnma,A3BC_oP20_62_3c_c_c:Se-Sr-Zr,20.0,A3BC_oP20_62_3c_c_c:Se-Sr-Zr +mp-620609,Ba15(ZrSe3)14,-6.1005470984,-1.9416637888,0.0,-0.0102583965,GGA,R-3c,A15B42C14_hR426_167_e2f_7f_ab6c:Ba-Se-Zr,142.0,"Invalid WP multiplicities - A15B42C14_hR426_167_5e16f_78f_2ab23c:Ba-Se-Zr, expected Ba111Zr49Se468 to be Ba15(ZrSe3)14" +mp-1227715,BaSr3(ZrSe3)4,-6.044390948,-1.8879311704,0.0212828271,0.0212828271,GGA,Pm,AB12C3D4_mP20_6_a_6a6b_a2b_2a2b:Ba-Se-Sr-Zr,20.0,AB12C3D4_mP20_6_a_6a6b_a2b_2a2b:Ba-Se-Sr-Zr +mp-998350,BaZrSe3,-6.033841046,-1.8429590454,0.0775039105,0.0699275897,GGA,P1,AB3C_aP5_1_a_3a_a:Ba-Se-Zr,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ba-Se-Zr, expected BaZrSe5 to be BaZrSe3" +mp-998427,BaZrSe3,-6.1113449565,-1.9204629559,0.0,-0.0075763208,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ba-Se-Zr,20.0,AB3C_oP20_62_c_3c_c:Ba-Se-Zr +mp-1079300,BaZrSe3,-6.062030293,-1.8711482924,0.0493146635,0.0417383427,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-Se-Zr,10.0,AB3C_hP10_194_c_h_a:Ba-Se-Zr +mp-1228764,Ba2Sr(ZrSe3)3,-6.0801463513,-1.9045631165,0.0109003023,0.0109003023,GGA,Pm,A2B9CD3_mP60_6_2a6b_18a18b_4a_6a6b:Ba-Se-Sr-Zr,60.0,A2B9CD3_mP60_6_2a6b_18a18b_4a_6a6b:Ba-Se-Sr-Zr +mp-12488,CsErCdTe3,-3.917161095,-1.2811729913,0.0,-0.0503307837,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Er-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Er-Te +mp-1104966,CsGdTe4,-5.831004525,-1.2402131608,0.0,-0.0315709777,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Cs-Gd-Te,12.0,ABC4_tP12_125_a_b_m:Cs-Gd-Te +mp-1190455,CsGd2Ag3Te5,-5.9402411095000005,-1.0982552615,0.0,-0.0347917682,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Gd-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Gd-Te +mp-1225977,Dy2Mn9(CrGe4)3,-7.0520372769,-0.2786838931,0.0151977163,0.0151977163,GGA,P2,A3B2C12D9_mP26_3_2ab_2c_4c4e_2a3b4d:Cr-Dy-Ge-Mn,26.0,"Invalid WP multiplicities - A3B2C12D9_mP26_3_b2c_2a_4a7e_3b2c4d:Cr-Dy-Ge-Mn, expected Dy2Mn9(CrGe6)3 to be Dy2Mn9(CrGe4)3" +mp-1225876,DyMn2(Cr2Ge3)2,-7.0909543854,-0.2231717366,0.0266437236,0.0266437236,GGA,Cmm2,A4BC6D2_oC26_35_2bc_a_2a2d_c:Cr-Dy-Ge-Mn,13.0,A4BC6D2_oC26_35_2bc_a_2a2d_c:Cr-Dy-Ge-Mn +mp-1225989,DyMn4(CrGe3)2,-7.0619444708,-0.269705234,0.0153631456,0.0153631456,GGA,Cmm2,A2BC6D4_oC26_35_c_a_2a2d_2bc:Cr-Dy-Ge-Mn,13.0,A2BC6D4_oC26_35_c_a_2a2d_2bc:Cr-Dy-Ge-Mn +mp-21155,DyMnGe,-6.6222184383,-0.4916084426,0.0881507724,0.0881507724,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ge-Mn,12.0,ABC_oP12_62_c_c_c:Dy-Ge-Mn +mp-20668,Dy(MnGe)6,-7.0370171238,-0.320321299,0.0,-0.0585723585,GGA,P6/mmm,AB6C6_hP13_191_a_cde_i:Dy-Ge-Mn,13.0,"Invalid WP multiplicities - AB6C6_hP13_191_a_cd2e_i:Dy-Ge-Mn, expected Dy(Mn3Ge4)2 to be Dy(MnGe)6" +mp-21000,Dy(MnGe)2,-6.919505406,-0.4841307792,0.0,-0.0391362813,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Dy-Ge-Mn +mp-1225945,Dy2MnGe4,-5.8071238443,-0.5403095026,0.0531968543,0.0531968543,GGA,Amm2,A2B4C_oC14_38_ab_2a2b_a:Dy-Ge-Mn,7.0,A2B4C_oC14_38_ab_2a2b_a:Dy-Ge-Mn +mp-1225437,Dy2CrGe4,-5.8057556771000005,-0.4687938814,0.0936201586,0.0936201586,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Cr-Dy-Ge,7.0,AB2C4_oC14_38_a_ab_2a2b:Cr-Dy-Ge +mp-1225565,Dy4CrGe8,-5.52307938,-0.5181241746,0.07607187,0.07607187,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cr-Dy-Ge,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cr-Dy-Ge +mp-12080,Dy(CrGe)2,-6.916840314,-0.285052816,0.139205037,0.139205037,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Dy-Ge,5.0,A2BC2_tI10_139_d_a_e:Cr-Dy-Ge +mp-1105070,Dy(CrGe)6,-7.1372285692,-0.1939025085,0.0206600323,0.0206600323,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Cr-Dy-Ge,13.0,A6BC6_hP13_191_i_a_cde:Cr-Dy-Ge +mp-1208573,Tb12Co5Bi,-5.5465653906,-0.2690947625,0.0,-0.0239095675,GGA,Immm,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Tb,18.0,AB5C12_oI36_71_b_afg_lmn:Bi-Co-Tb +mp-1217870,Tb24Fe3CoBi8,-5.2822365619,-0.4359287601,0.0193680823,0.0193680823,GGA,Pm,A8BC3D24_mP36_6_8b_a_3a_12a12b:Bi-Co-Fe-Tb,36.0,A8BC3D24_mP36_6_8b_a_3a_12a12b:Bi-Co-Fe-Tb +mp-1079285,Tb6FeBi2,-5.3046356389,-0.4205027422,0.0183018899,0.0183018899,GGA,Amm2,A2BC6_oC18_38_d_b_abde:Bi-Fe-Tb,9.0,A2BC6_mP9_6_2a_b_3a3b:Bi-Fe-Tb +mp-22972,Tb6FeBi2,-5.3116572022,-0.4275243056,0.0112803266,0.0112803266,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Tb,9.0,"Invalid WP multiplicities - A2BC6_hP9_189_c_b_2f2g:Bi-Fe-Tb, expected Tb12FeBi2 to be Tb6FeBi2" +mp-1208603,Tb5CoBi2,-5.3130109769,-0.5678701575,0.0,-0.0220184372,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Bi-Co-Tb,32.0,A2BC5_oP32_62_d_c_3cd:Bi-Co-Tb +mp-1217857,Tb12FeCoBi4,-5.2531655494,-0.4446828425,0.0271062102,0.0271062102,GGA,Pm,A4BCD12_mP18_6_4b_a_a_6a6b:Bi-Co-Fe-Tb,18.0,A4BCD12_mP18_6_4b_a_a_6a6b:Bi-Co-Fe-Tb +mp-27830,Cs2SeCl6,-3.3852645167,-1.5654938298,0.0,-0.0995667997,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Se,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Se +mp-1179075,SrScCu3Se4,-4.8691005756,-1.0576307446,0.1404657819,0.1404657819,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Sc-Se-Sr,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Sc-Se-Sr +mp-1111742,Na2HgAsBr6,-2.771922161,-1.0793202273,0.192542876,0.192542876,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-Na +mp-1078420,ZnCu2GeTe4,-3.7313215187,-0.3995204715,0.002729925,0.002729925,GGA,I-4,A2BC4D_tI16_82_ac_b_g_d:Cu-Ge-Te-Zn,8.0,A2BC4D_tI16_82_ac_b_g_d:Cu-Ge-Te-Zn +mp-12854,ZnCu2GeTe4,-3.7296649625,-0.3978639152,0.0043864813,0.0043864813,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-Te-Zn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-Te-Zn +mp-1182006,CaCrCu3Se4,-4.9073813311,-0.6918354122,0.1922115339,0.1922115339,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Ca-Cr-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Ca-Cr-Cu-Se +mp-1181881,CdCoCu3Se4,-4.1666700656,-0.3541730127,0.1340372243,0.1340372243,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Cd-Co-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Cd-Co-Cu-Se +mp-1224101,InAg2BiSe4,-3.8121174612,-0.5320011141000001,0.0533370344,0.0533370344,GGA,C2/m,A2BCD4_mC16_12_i_a_d_2i:Ag-Bi-In-Se,8.0,"Invalid WP multiplicities - A2BCD4_mC16_12_i_a_c_4i:Ag-Bi-In-Se, expected InAg2BiSe8 to be InAg2BiSe4" +mp-1114017,Rb2NaInBr6,-3.265671651,-1.7303269362,0.0269826535,0.0269826535,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-In-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-In-Na-Rb +mp-23453,Hg6Sb5Br7,-2.4955363253,-0.6434092864000001,0.0,-0.0669541876,GGA,Pa-3,A7B6C5_cP72_205_ad_d_b2c:Br-Hg-Sb,72.0,A7B6C5_cP72_205_ad_d_b2c:Br-Hg-Sb +mp-1113296,Cs2HgSbBr6,-2.993230021,-1.4390643881,0.0373688181,0.0373688181,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Sb +mp-532156,Hg7(Sb2Br3)2,-2.1746870781,-0.5299848725,0.0495642461,0.0495642461,GGA,P2_1/c,A6B7C4_mP136_14_12e_ad13e_8e:Br-Hg-Sb,136.0,"Invalid WP multiplicities - A6B7C4_mP136_14_48e_2a2d52e_32e:Br-Hg-Sb, expected Hg27(Sb2Br3)8 to be Hg7(Sb2Br3)2" +mp-1228036,Ba4GaSn3,-3.4623503088,-0.6207613903,0.0192265797,0.0192265797,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:Ba-Ga-Sn,8.0,A4BC3_oP8_25_abcd_a_bcd:Ba-Ga-Sn +mp-1227967,BaGa3Sn,-3.410123002,-0.4075560295,0.0193654795,0.0193654795,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Ga-Sn,5.0,AB3C_tI10_107_a_ab_a:Ba-Ga-Sn +mp-1195344,Ba4Ga4SnSe12,-4.5761854512,-1.4452905256,0.0078733757,0.0078733757,GGA,P-42_1c,A4B4C12D_tP42_114_e_e_3e_a:Ba-Ga-Se-Sn,42.0,A4B4C12D_tP42_114_e_e_3e_a:Ba-Ga-Se-Sn +mp-1228005,BaGaSn,-3.498348365,-0.5128007592,0.0594459985,0.0594459985,GGA,P-3m1,ABC_hP6_164_c_d_d:Ba-Ga-Sn,6.0,ABC_hP6_164_c_d_d:Ba-Ga-Sn +mp-568967,Ba5Ga5Sn,-3.1039784345,-0.490803283,0.0,-0.0017556894,GGA,P-6m2,A5B5C_hP11_187_ahi_gk_c:Ba-Ga-Sn,11.0,"Invalid WP multiplicities - A5B5C_hP11_187_a2hi_gk_c:Ba-Ga-Sn, expected Ba7Ga5Sn to be Ba5Ga5Sn" +mp-1214544,Ba4Ga22Sn,-3.1150393063,-0.2149065615,0.1192041807,0.1192041807,GGA,I-43m,A4B22C_cI54_217_c_cdg_a:Ba-Ga-Sn,27.0,A4B22C_cI54_217_c_cdg_a:Ba-Ga-Sn +mp-1219795,Ni6SnSe2,-5.39142838,-0.3156267255,0.0194559494,0.0194559494,GGA,I4mm,A6B2C_tI18_107_2a2b_2a_a:Ni-Se-Sn,9.0,A6B2C_tI18_107_2a2b_2a_a:Ni-Se-Sn +mp-1225885,Cu2NiSnSe4,-4.4809975687,-0.4845265955,0.0432309509,0.0432309509,GGA,I-4,A2BC4D_tI16_82_ac_b_g_d:Cu-Ni-Se-Sn,8.0,A2BC4D_tI16_82_ac_b_g_d:Cu-Ni-Se-Sn +mp-29249,GeAsSe,-4.5913607667,-0.3320081874,0.0,-0.02181161,GGA,Pnna,ABC_oP24_52_e_cd_e:As-Ge-Se,24.0,ABC_oP24_52_e_cd_e:As-Ge-Se +mp-581864,CsAsSe2,-4.0039410531,-0.86735512,0.0,-0.011394375,GGA,P2_1/c,ABC2_mP32_14_2e_2e_4e:As-Cs-Se,32.0,"Invalid WP multiplicities - ABC2_mP32_14_6e_4e_10e:As-Cs-Se, expected Cs2As3Se5 to be CsAsSe2" +mp-28563,CsAsSe2,-4.0015122887,-0.8649263557,0.0024287644,-0.0089656106,GGA,Pbca,ABC2_oP32_61_c_c_2c:As-Cs-Se,32.0,ABC2_oP32_61_c_c_2c:As-Cs-Se +mp-1197848,Cs5As5Se9,-3.9908737721,-0.8731997098000001,0.0,-0.0073479839,GGA,Pnma,A5B5C9_oP76_62_c2d_c2d_c4d:As-Cs-Se,76.0,A5B5C9_oP76_62_c2d_c2d_c4d:As-Cs-Se +mp-616141,Cs5GeAs3,-2.9421981314,-0.3780431391,0.0,-0.0678529313,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:As-Cs-Ge,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_11c_19c_c:As-Cs-Ge, expected Cs19GeAs11 to be Cs5GeAs3" +mp-645172,CsAs2Se3,-4.1587949925,-0.7085660567000001,0.0,-0.0188231349,GGA,Pnma,A2BC3_oP48_62_2cd_2c_2c2d:As-Cs-Se,48.0,"Invalid WP multiplicities - A2BC3_oP48_62_8c5d_3c_6c12d:As-Cs-Se, expected Cs(As3Se5)2 to be CsAs2Se3" +mp-1201774,Cs3AsSe4,-3.7431742066,-1.0770527776,0.0,-0.0676588511,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-Cs-Se,32.0,AB3C4_oP32_62_c_cd_2cd:As-Cs-Se +mp-582708,Cs3GeAsSe5,-3.9754518387,-1.0306607623,0.0,-0.001859008,GGA,P2_1/c,AB3CD5_mP40_14_e_3e_e_5e:As-Cs-Ge-Se,40.0,"Invalid WP multiplicities - AB3CD5_mP40_14_e_10e_e_17e:As-Cs-Ge-Se, expected Cs10GeAsSe17 to be Cs3GeAsSe5" +mp-1228926,AlIn(AgSe2)2,-4.0215926663,-0.7533404816,0.0021486637,0.0021486637,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Ag-Al-In-Se,8.0,A2BCD4_tI16_82_ac_b_d_g:Ag-Al-In-Se +mp-1228721,Al4InAgSe8,-4.4615249214,-0.9948224304,0.0,-0.0002795832,GGA,C2,AB4CD8_mC28_5_a_abc_b_4c:Ag-Al-In-Se,14.0,"Invalid WP multiplicities - AB4CD8_mC28_5_a_abc_b_8c:Ag-Al-In-Se, expected Al4InAgSe16 to be Al4InAgSe8" +mp-14091,AlAgSe2,-4.247761285,-0.8552725878,0.0,-0.0574583465,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Al-Se,8.0,ABC2_tI16_122_a_b_d:Ag-Al-Se +mp-862787,AlInSe3,-4.374170138,-0.9771713394,0.0,-0.0145870357,GGA,P6_1,ABC3_hP30_169_a_a_3a:Al-In-Se,30.0,ABC3_hP30_169_a_a_3a:Al-In-Se +mp-1214959,Al(Ag3Se2)3,-3.5292968853,-0.3909188399,0.0,-0.0087092441,GGA,P2_13,A9BC6_cP64_198_3b_a_3ab:Ag-Al-Se,64.0,A9BC6_cP64_198_3b_a_3ab:Ag-Al-Se +mp-1247813,AlAg7Se5,-0.9060025815,2.251922437,2.6785607961,2.6785607961,GGA,P1,A7BC5_aP13_1_7a_a_5a:Ag-Al-Se,13.0,A7BC5_aP13_1_7a_a_5a:Ag-Al-Se +mp-13520,Na2ZnGe,-2.280470125,-0.148514612,0.0,-0.0567177134,GGA,Cmcm,AB2C_oC16_63_c_g_a:Ge-Na-Zn,8.0,AB2C_oC16_63_c_g_a:Ge-Na-Zn +mp-1221275,Na2Zn3GeAs4,-3.246827223,-0.2784489338,0.0426117935,0.0426117935,GGA,Cm,A4BC2D3_mC20_8_4a_a_2a_3a:As-Ge-Na-Zn,10.0,A4BC2D3_mC20_8_4a_a_2a_3a:As-Ge-Na-Zn +mp-1103729,Na(GeAs)6,-4.4361333823,-0.0503331628,0.0425241038,0.0425241038,GGA,C2/m,A6B6C_mC26_12_3i_3i_a:As-Ge-Na,13.0,A6B6C_mC26_12_3i_3i_a:As-Ge-Na +mp-16861,Na5GeAs3,-3.1963383817,-0.3948928775,0.0,-0.0389698209,GGA,P2_1/c,A3BC5_mP36_14_3e_e_5e:As-Ge-Na,36.0,A3BC5_mP36_14_3e_e_5e:As-Ge-Na +mp-3038,Al2HgSe4,-4.0707718871,-0.9595607535,0.0,-0.0309698579,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Hg-Se,7.0,A2BC4_tI14_82_ac_b_g:Al-Hg-Se +mp-1103510,Al2HgSe4,-4.0288888436,-0.9176777099,0.0418830436,0.0109131857,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Hg-Se,14.0,A2BC4_cF56_227_c_b_e:Al-Hg-Se +mp-1182880,AlCu3HgSe4,-3.7925632922,-0.4225052794,0.1479924775,0.1479924775,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Hg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Al-Cu-Hg-Se +mp-685952,Al2Hg5Se8,-3.123493808,-0.6583707876,0.0250198193,0.0250198193,GGA,P1,A2B5C8_aP60_1_8a_20a_32a:Al-Hg-Se,60.0,A2B5C8_aP60_1_8a_20a_32a:Al-Hg-Se +mp-1336298,Al2Hg5Se8,-2.948907676,-0.4837846556,0.1996059513,0.1996059513,GGA,P1,A2B5C8_aP60_1_8a_20a_32a:Al-Hg-Se,60.0,A2B5C8_aP60_1_8a_20a_32a:Al-Hg-Se +mp-1223164,La2Nd(MnSi)6,-7.3353510433,-0.5244069383000001,0.0033621513,0.0033621513,GGA,I4/mmm,A2B6CD6_tI30_139_e_dg_a_3e:La-Mn-Nd-Si,15.0,"Invalid WP multiplicities - A2B6CD6_tI30_139_e_2d3g_a_5e:La-Mn-Nd-Si, expected La2Nd(Mn8Si5)2 to be La2Nd(MnSi)6" +mp-1195748,Sc5(Si5Ir2)2,-7.2018327063,-0.8192399408000001,0.0,-0.0060064167,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Ir-Sc-Si,38.0,A4B5C10_tP38_127_i_a2h_gij:Ir-Sc-Si +mp-1185491,LuScIr2,-8.1223819175,-0.9898099212,0.04545219,0.04545219,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Lu-Sc,4.0,A2BC_cF16_225_c_a_b:Ir-Lu-Sc +mp-1189689,Sc4Si6Ir7,-8.1020631318,-1.0578970224,0.0,-0.0796003599,GGA,Im-3m,A7B4C6_cI34_229_ad_c_e:Ir-Sc-Si,17.0,A7B4C6_cI34_229_ad_c_e:Ir-Sc-Si +mp-1095563,ScSiIr,-8.018697455,-1.15329035,0.0,-0.1296783501,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Sc-Si,12.0,ABC_oP12_62_c_c_c:Ir-Sc-Si +mp-1222705,Lu5Sc5(Si5Ir2)4,-6.9586998282,-0.8144647712,0.0184141924,0.0184141924,GGA,Amm2,A8B5C5D20_oC76_38_4e_3ad_ade_2b4d5e:Ir-Lu-Sc-Si,38.0,"Invalid WP multiplicities - A8B5C5D20_oC76_38_8e_3ad_ade_2b8d9e:Ir-Lu-Sc-Si, expected Lu5Sc5(Si9Ir4)4 to be Lu5Sc5(Si5Ir2)4" +mp-1202962,Lu3Si13Ir4,-6.5150149355,-0.5427288020000001,0.0896335564,0.0896335564,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Ir-Lu-Si,40.0,A4B3C13_cP40_223_e_c_ak:Ir-Lu-Si +mp-1194432,Sc3Si3Ir,-7.2565103071,-0.9548252236,0.0,-0.0025977336,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Ir-Sc-Si,28.0,AB3C3_oP28_62_c_3c_3c:Ir-Sc-Si +mp-13620,ScSi7Ir3,-7.0830991436,-0.644462975,0.0,-0.0455765717,GGA,R-3c,A3BC7_hR66_167_e_b_af:Ir-Sc-Si,22.0,A3BC7_hR66_167_e_b_af:Ir-Sc-Si +mp-568336,Lu2Si5Ir3,-7.1739654785,-0.9055861055,0.0,-0.0551622799,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Ir-Lu-Si,20.0,"Invalid WP multiplicities - A3B2C5_oI40_72_aj_j_2b4f2j:Ir-Lu-Si, expected Lu2Si14Ir3 to be Lu2Si5Ir3" +mp-542170,Lu5(Si5Ir2)2,-6.7523953347,-0.8465179863000001,0.0,-0.0233340586,GGA,P4/mbm,A4B5C10_tP38_127_i_a2h_gij:Ir-Lu-Si,38.0,A4B5C10_tP38_127_i_a2h_gij:Ir-Lu-Si +mp-22440,LuSiIr,-7.38020259,-1.1186350133,0.0,-0.1932737847,GGA,Pnma,ABC_oP12_62_c_c_c:Ir-Lu-Si,12.0,ABC_oP12_62_c_c_c:Ir-Lu-Si +mp-1071675,GdSiPt,-9.6786363,-1.1544451033,0.0,-0.1013367661,GGA,I4_1md,ABC_tI12_109_a_a_a:Gd-Pt-Si,6.0,ABC_tI12_109_a_a_a:Gd-Pt-Si +mp-1224619,GdAlSi,-8.34765567,-0.5986503033,0.0,-0.0523087578,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Gd-Si,6.0,ABC_tI12_109_a_a_a:Al-Gd-Si +mp-637220,Gd(SiPt)2,-8.509399237,-1.095594249,0.0,-0.1515336987,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Gd-Pt-Si,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2a2c_2b2c:Gd-Pt-Si, expected Gd(SiPt)4 to be Gd(SiPt)2" +mp-21277,Gd(SiPt)2,-8.43878146,-1.024976472,0.070617777,-0.0809159217,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Gd-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Gd-Pt-Si +mp-1224877,Gd(SiPt)2,-8.417284996,-1.003480008,0.092114241,-0.0594194577,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-Pt-Si,5.0,AB2C2_tI10_139_a_e_d:Gd-Pt-Si +mp-1189670,GdSiPt2,-9.0440506631,-1.1331239356,0.0,-0.03762692,GGA,Pnma,AB2C_oP16_62_c_d_c:Gd-Pt-Si,16.0,AB2C_oP16_62_c_d_c:Gd-Pt-Si +mp-637030,Gd2Al6Si4Pt,-6.5583539892000005,-0.5277305354,0.0,-0.0378690154,GGA,R-3m,A6B2CD4_hR39_166_3c_c_a_2c:Al-Gd-Pt-Si,13.0,"Invalid WP multiplicities - A6B2CD4_hR39_166_4c_c_a_4c:Al-Gd-Pt-Si, expected Gd2Al8Si8Pt to be Gd2Al6Si4Pt" +mp-8651,Gd(AlSi)2,-6.847692752,-0.36411076,0.0,-0.004920578,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Gd-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Gd-Si +mp-1225229,Gd(Fe5Si)2,-8.6665405785,-0.2336967015,0.0101247738,0.0101247738,GGA,Immm,A10BC2_oI26_71_efgk_a_h:Fe-Gd-Si,13.0,A10BC2_oI26_71_efgk_a_h:Fe-Gd-Si +mp-1224923,Gd2Fe5Si8,-8.1130821387,-0.5194224873000001,0.0190195973,0.0190195973,GGA,P-3m1,A5B2C8_hP15_164_a2d_d_2c2d:Fe-Gd-Si,15.0,A5B2C8_hP15_164_a2d_d_2c2d:Fe-Gd-Si +mp-1224828,GdTiFe9Si2,-8.6037040508,-0.2150547272,0.1234703331,0.1234703331,GGA,Cm,A9BC2D_mC26_8_7ab_a_b_a:Fe-Gd-Si-Ti,13.0,A9BC2D_mC26_8_7ab_a_b_a:Fe-Gd-Si-Ti +mp-542986,Gd(FeSi)2,-9.00729598,-0.633935836,0.0,-0.1089233888,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Gd-Si +mp-36819,Sr(CeSe2)2,-6.0976418736,-2.1634536344,0.0,-0.0051581523,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-Se-Sr,14.0,A2B4C_tI28_122_d_e_a:Ce-Se-Sr +mp-1210305,NaCeCuTe4,-4.4296468421,-1.0113547433,0.1718296521,0.1718296521,GGA,P4/nmm,ABCD4_tP14_129_c_a_c_2cf:Ce-Cu-Na-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_c_a_c_2c2f:Ce-Cu-Na-Te, expected NaCeCuTe6 to be NaCeCuTe4" +mp-1111824,Cs2NaLuCl6,-4.376243414,-2.5036933622,0.0,-0.0726242486,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Lu-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Lu-Na +mp-1111778,CsRb2LuCl6,-4.277331131,-2.4304670313,0.0759840965,0.0759840965,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Lu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Lu-Rb +mp-1112515,Cs2RbLuCl6,-4.34599241,-2.5076414803,0.0,-0.0324640068,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Lu-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Lu-Rb +mp-1008927,LiFeAs,-5.1584280833,-0.1457405894,0.2956353017,0.2803318448,GGA,I4mm,ABC_tI6_107_a_a_a:As-Fe-Li,3.0,ABC_tI6_107_a_a_a:As-Fe-Li +mp-21471,LiFeAs,-5.454063385,-0.4413758911,0.0,-0.0153034568,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Fe-Li,6.0,ABC_tP6_129_c_a_c:As-Fe-Li +mp-1101998,LiFeAs,-5.2326042225,-0.2199167286,0.2214591625,0.2061557057,GGA,P-3m1,ABC_hP12_164_2d_abd_cd:As-Fe-Li,12.0,ABC_hP12_164_2d_abd_cd:As-Fe-Li +mp-1018785,LiFeAs,-4.9285212383,0.0841662556,0.5255421467,0.5102386898,GGA,P6_3/mmc,ABC_hP6_194_c_b_d:As-Fe-Li,6.0,ABC_hP6_194_c_b_d:As-Fe-Li +mp-530480,Li19(FeAs)20,-5.4852885488,-0.4199948748,0.0133075714,0.0133075714,GGA,P1,A20B20C19_aP59_1_20a_20a_19a:As-Fe-Li,59.0,A20B20C19_aP59_1_20a_20a_19a:As-Fe-Li +mp-1222681,Li2CrFeAs2,-5.4940784833,-0.2842199461,0.1341507244,0.1341507244,GGA,P-4m2,A2BCD2_tP6_115_g_a_b_cd:As-Cr-Fe-Li,6.0,A2BCD2_tP6_115_g_a_b_cd:As-Cr-Fe-Li +mp-1112430,Rb2SmCuCl6,-4.310323311,-2.12331522,0.0566792244,0.0566792244,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sm +mp-1110989,Cs2LiMoCl6,-4.450928339,-1.8872685709,0.0334374101,0.0334374101,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Mo +mp-1025299,Tl2CdTe4,-3.0282839586,-0.425226869,0.0858319543,0.0858319543,GGA,I-4,AB4C2_tI14_82_a_g_bc:Cd-Te-Tl,7.0,AB4C2_tI14_82_a_g_bc:Cd-Te-Tl +mp-1025337,Tl2CdTe4,-3.0266798714,-0.4236227819,0.0874360414,0.0874360414,GGA,I-42m,AB4C2_tI14_121_a_i_d:Cd-Te-Tl,7.0,AB4C2_tI14_121_a_i_d:Cd-Te-Tl +mp-568890,Tl2CdGeTe4,-3.3344127175,-0.4788592823,0.0046589156,0.0046589156,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Cd-Ge-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Cd-Ge-Te-Tl +mp-998919,TlCdTe2,-2.82499847,-0.4319622967,0.1396933148,0.1396933148,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cd-Te-Tl,4.0,AB2C_hP4_164_a_d_b:Cd-Te-Tl +mp-1110686,Rb2CuSbCl6,-3.716317685,-1.5882680835,0.0,-0.0069954756,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Sb +mp-1112500,Cs2TlAuBr6,-3.023606537,-1.3490565499,0.0407580741,0.0407580741,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Tl +mp-28177,NaSbCl6,-3.5029958806,-1.4351525689,0.0,-0.0385878469,GGA,P4_2/m,A6BC_tP16_84_jk_e_c:Cl-Na-Sb,16.0,A6BC_tP16_84_jk_e_c:Cl-Na-Sb +mp-1111607,Na3SbCl6,-3.558419639,-1.639639931,0.157839302,0.157839302,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Sb,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Sb +mp-1111476,Na2LiSbCl6,-3.635067719,-1.6576482536,0.1452925205,0.1452925205,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sb +mp-5077,NaLi2Sb,-2.9385225850000003,-0.6211795183000001,0.0,-0.0091792758,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Na-Sb,4.0,A2BC_cF16_225_c_a_b:Li-Na-Sb +mp-1114074,Rb2InAsCl6,-3.646538895,-1.600229871,0.0704194658,0.0704194658,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-In-Rb +mp-1211768,La5CuGe3,-5.3395225544,-0.6008196922,0.0414354802,0.0414354802,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Ge-La,18.0,AB3C5_hP18_193_b_g_dg:Cu-Ge-La +mp-1222919,LaCuGe,-5.19572559,-0.64297838,0.0,-0.0616642956,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-La,3.0,ABC_hP3_187_a_c_f:Cu-Ge-La +mp-20322,La(CuGe)2,-5.035115426,-0.559020195,0.0,-0.055462498,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-La,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-La +mp-1080588,LaCuGe2,-5.1997644925,-0.6294471213,0.0,-0.019454618,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Cu-Ge-La,8.0,AB2C_oC16_63_c_2c_c:Cu-Ge-La +mp-1223801,La2Mn3CuGe4,-6.467092049,-0.4721542314,0.013827489,0.013827489,GGA,P-4m2,AB4C2D3_tP10_115_a_2g_g_bcd:Cu-Ge-La-Mn,10.0,"Invalid WP multiplicities - AB4C2D3_tP10_115_a_4g_g_bcd:Cu-Ge-La-Mn, expected La2Mn3CuGe8 to be La2Mn3CuGe4" +mp-1096524,La2CuGe,-2.9485100075,1.7000521763,2.2356740568,2.2356740568,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ge-La,4.0,ABC2_oI8_71_a_b_e:Cu-Ge-La +mp-1213468,La15CuGe9,-5.4488919276,-0.6590293700000001,0.0172616709,0.0172616709,GGA,P6_3mc,AB9C15_hP50_186_b_3c_3cd:Cu-Ge-La,50.0,AB9C15_hP50_186_b_3c_3cd:Cu-Ge-La +mp-1222995,LaMnCuGe2,-5.983701304,-0.4950443486,0.01528353,0.01528353,GGA,I-4m2,AB2CD_tI10_119_a_f_c_b:Cu-Ge-La-Mn,5.0,AB2CD_tI10_119_a_f_c_b:Cu-Ge-La-Mn +mp-1095038,La2CuGe6,-5.0966206944,-0.4622442489,0.0491588107,0.0491588107,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-La,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-La +mp-22291,CsGdHgSe3,-5.7691093667,-1.4752861317,0.0,-0.0627954897,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cs-Gd-Hg-Se,12.0,ABCD3_oC24_63_c_a_c_cf:Cs-Gd-Hg-Se +mp-867851,Rb2TlAu3,-2.6345554475,-0.2769958989,0.0,-0.0281299414,GGA,Pmma,A3B2C_oP12_51_ak_ef_f:Au-Rb-Tl,12.0,"Invalid WP multiplicities - A3B2C_oP12_51_ak_e2f_f:Au-Rb-Tl, expected Rb3TlAu3 to be Rb2TlAu3" +mp-1111611,Rb2TlAuCl6,-3.329876619,-1.4609952938,0.0610001769,0.0610001769,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Tl +mp-28368,TlAuCl4,-3.1694187708,-0.9976401397,0.0,-0.0533882521,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-Cl-Tl,12.0,AB4C_mC24_15_a_2f_e:Au-Cl-Tl +mp-8770,Cs2CoSe2,-4.088946674,-0.9107575751,0.0212579016,0.0212579016,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Cs-Se,10.0,AB2C2_oI20_72_a_j_j:Co-Cs-Se +mp-571343,Cs(CoSe)2,-5.076390706,-0.6556185225000001,0.0226553518,0.0226553518,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Cs-Se,5.0,A2BC2_tI10_139_d_a_e:Co-Cs-Se +mp-13259,CsHoCoSe3,-5.2568835858,-1.4112396742,0.0,-0.035062955,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Co-Cs-Ho-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Co-Cs-Ho-Se +mp-624200,Re3Se4Br,-7.3779809919,-0.7691990174000001,0.0,-0.0379463991,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:Br-Re-Se,32.0,"Invalid WP multiplicities - AB3C4_mP32_14_e_10e_13e:Br-Re-Se, expected Re10Se13Br to be Re3Se4Br" +mp-680015,Re3(SeBr)7,-5.0538137174,-0.7787454698,0.0,-0.0408181825,GGA,P31c,A7B3C7_hP68_159_ab4c_2c_ab4c:Br-Re-Se,68.0,"Invalid WP multiplicities - A7B3C7_hP68_159_2a2b16c_6c_2a2b17c:Br-Re-Se, expected Re18Se55Br52 to be Re3(SeBr)7" +mp-27783,CsReBr4,-4.5270878752,-1.2684140624,0.0,-0.0870036638,GGA,Pbca,A4BC_oP48_61_4c_c_c:Br-Cs-Re,48.0,A4BC_oP48_61_4c_c_c:Br-Cs-Re +mp-1209495,Re3Se4Br3,-6.3545151208,-0.7568838752,0.0471182927,0.0471182927,GGA,P-1,A3B3C4_aP40_2_6i_6i_8i:Br-Re-Se,40.0,A3B3C4_aP40_2_6i_6i_8i:Br-Re-Se +mp-1219630,Re6Se7Br4,-7.0064154656,-0.8093180083,0.0,-0.0106031643,GGA,R3c,A4B6C7_hR102_161_ab_2b_a2b:Br-Re-Se,34.0,A4B6C7_hR102_161_ab_2b_a2b:Br-Re-Se +mp-998415,CsSeBr3,-2.982448976,-1.1723692081,0.0535486631,0.0535486631,GGA,Pm,A3BC_mP5_6_2ab_b_a:Br-Cs-Se,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Se +mp-1202357,CsRe3(Se2Br)2,-6.5845644935,-1.0526958437,0.0,-0.018366974,GGA,P2_1/c,A2BC3D4_mP40_14_2e_e_3e_4e:Br-Cs-Re-Se,40.0,A2BC3D4_mP40_14_2e_e_3e_4e:Br-Cs-Re-Se +mp-650137,Cs4Re6Se13,-6.3108100015,-0.9327394881,0.0,-0.0383764202,GGA,C2/c,A4B6C13_mC92_15_2f_3f_e6f:Cs-Re-Se,46.0,"Invalid WP multiplicities - A4B6C13_mC92_15_4f_8f_2e23f:Cs-Re-Se, expected Cs(ReSe3)2 to be Cs4Re6Se13" +mp-1173441,Re3Se2Br5,-6.0786074438,-0.8695528277000001,0.0,-0.1126738827,GGA,P1,A5B3C2_aP40_1_20a_12a_8a:Br-Re-Se,40.0,A5B3C2_aP40_1_20a_12a_8a:Br-Re-Se +mp-1173580,Re3Se2Br5,-5.7838393445000005,-0.5747847285000001,0.2947680992,0.1820942166,GGA,P1,A5B3C2_aP40_1_20a_12a_8a:Br-Re-Se,40.0,A5B3C2_aP40_1_20a_12a_8a:Br-Re-Se +mp-651741,Cs2Re2Se5,-5.8708495011,-0.9642476675,0.0,-0.0005486794,GGA,R-3c,A2B2C5_hR162_167_f_f_ac2f:Cs-Re-Se,54.0,"Invalid WP multiplicities - A2B2C5_hR162_167_f_f_2a4c14f:Cs-Re-Se, expected Cs3Re3Se47 to be Cs2Re2Se5" +mp-1224440,HfCrCuSe4,-6.445964175,-1.0612371635,0.0266027396,0.0266027396,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Cu-Hf-Se,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h2i:Cr-Cu-Hf-Se, expected HfCrCuSe8 to be HfCrCuSe4" +mp-1223815,HoCuSe2,-5.3624141775,-1.4440545537,0.0078350909,0.0078350909,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Ho-Se,4.0,ABC2_hP4_156_a_b_ac:Cu-Ho-Se +mp-1206723,HoCuSe2,-5.2650406875,-1.3466810637,0.1052085809,0.1052085809,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Ho-Se,4.0,ABC2_hP4_164_a_b_d:Cu-Ho-Se +mp-672258,CsHo2Cu3Se5,-4.9447168568,-1.323135265,0.0,-0.0216907395,GGA,P1,AB3C2D5_aP22_1_2a_6a_4a_10a:Cs-Cu-Ho-Se,22.0,"Invalid WP multiplicities - AB3C2D5_oC44_63_c_c2f_f_2c5f:Cs-Cu-Ho-Se, expected CsHo2Cu5Se12 to be CsHo2Cu3Se5" +mp-1192367,CsHo2Cu3Se5,-4.9431314368,-1.321549845,0.00158542,-0.0201053195,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Ho-Se,22.0,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Ho-Se +mp-1223776,In2AgSe3Cl,-3.7839725064,-0.8308018555000001,0.0101056871,0.0101056871,GGA,R-3m,ABC2D3_hR42_166_c_c_ad_h:Ag-Cl-In-Se,14.0,ABC2D3_hR42_166_c_c_ad_h:Ag-Cl-In-Se +mp-568603,In5Se5Cl,-3.8340745432,-0.8262097524,0.024655248,0.024655248,GGA,P2_1/m,AB5C5_mP22_11_e_5e_5e:Cl-In-Se,22.0,"Invalid WP multiplicities - AB5C5_mP22_11_e_9e_10e:Cl-In-Se, expected In9Se10Cl to be In5Se5Cl" +mp-1078997,NdFeGe2,-6.1185657112,-0.4975096231,0.0325453746,0.0325453746,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Nd,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Nd +mp-20785,Nd(FeGe)2,-6.626473292,-0.4356241795,0.0,-0.0115912782,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Nd,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Nd +mp-1220244,NdFeGe,-6.30521185,-0.3514796842,0.2141030733,0.2141030733,GGA,P-6m2,ABC_hP3_187_a_c_f:Fe-Ge-Nd,3.0,ABC_hP3_187_a_c_f:Fe-Ge-Nd +mp-1220639,Nd2MnFe3Ge4,-6.715198412,-0.4551498913,0.0,-0.003461075,GGA,P-4m2,A3B4CD2_tP10_115_abc_2g_d_g:Fe-Ge-Mn-Nd,10.0,"Invalid WP multiplicities - A3B4CD2_tP10_115_abc_4g_d_g:Fe-Ge-Mn-Nd, expected Nd2MnFe3Ge8 to be Nd2MnFe3Ge4" +mp-1220434,Nd2FeGe4,-5.8052322457,-0.591171175,0.0029293838,0.0029293838,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Nd,7.0,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Nd +mp-1220158,NdMnFeGe2,-6.797001382,-0.4677534531,0.0,-0.0069213445,GGA,I-4m2,AB2CD_tI10_119_a_f_b_c:Fe-Ge-Mn-Nd,5.0,AB2CD_tI10_119_a_f_b_c:Fe-Ge-Mn-Nd +mp-1220665,Nd2Mn3FeGe4,-6.864961663,-0.4665143259,0.001078397,0.001078397,GGA,P-4m2,AB4C3D2_tP10_115_a_2g_bcd_g:Fe-Ge-Mn-Nd,10.0,"Invalid WP multiplicities - AB4C3D2_tP10_115_a_4g_bcd_g:Fe-Ge-Mn-Nd, expected Nd2Mn3FeGe8 to be Nd2Mn3FeGe4" +mp-1198335,Nd6Fe13Ge,-7.2527258,-0.085616391,0.0080163115,0.0080163115,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Ge-Nd,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Ge-Nd +mp-37312,Na(La2Se3)4,-6.1906620638,-2.2496373083,0.0,-0.0070384621,GGA,I-42d,A8BC12_tI84_122_cde_a_3e:La-Na-Se,42.0,"Invalid WP multiplicities - A8BC12_tI84_122_4c4d6e_a_16e:La-Na-Se, expected Na(La5Se8)8 to be Na(La2Se3)4" +mp-569491,NaLa(GaSe2)4,-4.5228263418,-1.2129543197,0.0,-0.0049024341,GGA,Fddd,A4BCD8_oF224_70_2h_ab_e_4h:Ga-La-Na-Se,56.0,"Invalid WP multiplicities - A4BCD8_oF224_70_12h_ab_e_27h:Ga-La-Na-Se, expected NaLa(Ga4Se9)6 to be NaLa(GaSe2)4" +mp-1223537,La9Ga5Se21,-5.5919839493,-1.7925929468,0.0045820646,0.0045820646,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-La-Se,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-La-Se, expected La24Ga5Se51 to be La9Ga5Se21" +mp-1220723,NaLa2Se3,-5.66752215,-2.0538098273,0.0120319367,0.0120319367,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:La-Na-Se,6.0,A2BC3_hP6_164_d_a_bd:La-Na-Se +mp-1220704,NaLaSe2,-5.2236670325,-1.9110781941,0.0725263725,-0.0080470064,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:La-Na-Se,4.0,ABC2_tP4_123_a_d_bc:La-Na-Se +mp-999472,NaLaSe2,-5.296193405,-1.9836045666,0.0,-0.0805733789,GGA,R-3m,ABC2_hR12_166_a_b_c:La-Na-Se,4.0,ABC2_hR12_166_a_b_c:La-Na-Se +mp-1095966,InCuNi2,-2.524677115,2.078113825,2.165490915,2.165490915,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-In-Ni,4.0,ABC2_oI8_71_a_b_e:Cu-In-Ni +mp-1078086,In2Ni3Se2,-4.7069670529,-0.4447384164,0.0,-0.0182978971,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:In-Ni-Se,7.0,A2B3C2_hR21_166_ab_d_c:In-Ni-Se +mp-1226427,InCuNiSe3,-4.3932331412,-0.5401062224000001,0.0810221185,0.0810221185,GGA,Cc,ABCD3_mC96_9_4a_4a_4a_12a:Cu-In-Ni-Se,,"Invalid WP multiplicities - ABCD3_mC96_9_7a_7a_7a_24a:Cu-In-Ni-Se, expected In7Cu7Ni7Se24 to be InCuNiSe3" +mp-1223903,InCuNi,-4.1709424867,0.0393998733,0.15590266,0.15590266,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-In-Ni,6.0,ABC_hP6_194_c_d_a:Cu-In-Ni +mp-1080131,Cu2SiHgTe4,-3.63464506,-0.3220656465,0.0,-0.0137855463,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Hg-Si-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Hg-Si-Te +mp-631331,Si2HgTe,-3.044321625,0.5300839546,0.7198140125,0.7198140125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Si-Te,4.0,AB2C_cF16_225_a_c_b:Hg-Si-Te +mp-1224922,GaCuSnSe4,-4.2731383386,-0.6844925588,0.00361307,0.00361307,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Cu-Ga-Se-Sn,7.0,ABC4D_tI14_82_a_b_g_c:Cu-Ga-Se-Sn +mp-510011,La3CuGeSe7,-5.688485245,-1.6883488964,0.0,-0.0457901948,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-La-Se,24.0,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-La-Se +mp-1101311,TiCuGe,-5.8765088733,-0.3372666928,0.08609036,0.0757712855,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Ge-Ti,12.0,ABC_oP12_62_c_c_c:Cu-Ge-Ti +mp-1102042,TiCuGe,-5.9625992333,-0.4233570528,0.0,-0.0103190745,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Ge-Ti,12.0,ABC_oP12_62_c_c_c:Cu-Ge-Ti +mp-753490,TiCuGe,-5.8803189133,-0.3410767328,0.08228032,0.0719612455,GGA,Cmcm,ABC_oC12_63_a_c_c:Cu-Ge-Ti,6.0,ABC_oC12_63_a_c_c:Cu-Ge-Ti +mp-1078472,TiCuGeAs,-5.73478651,-0.4155752733,0.0463908317,0.0463908317,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Ti,8.0,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Ti +mp-1226834,Ce2Al3GaPd4,-5.485600163,-0.8005472568,0.0390989812,0.0390989812,GGA,P-4m2,A3B2CD4_tP10_115_ag_g_b_cdg:Al-Ce-Ga-Pd,10.0,A3B2CD4_tP10_115_ag_g_b_cdg:Al-Ce-Ga-Pd +mp-1095071,Ce(GaPd)2,-5.236043144,-0.76623418,0.0,-0.007153478,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ga-Pd,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Ga-Pd +mp-568885,Ce2Ga12Pd,-3.9760983847,-0.4172175587,0.0,-0.010096354,GGA,P4/nbm,A2B12C_tP30_125_h_2g2m_c:Ce-Ga-Pd,30.0,"Invalid WP multiplicities - A2B12C_tP30_125_h_8g12m_c:Ce-Ga-Pd, expected Ce2Ga64Pd to be Ce2Ga12Pd" +mp-1195670,Ce8GaPd24,-6.1035552315,-0.8062833314000001,0.0192740529,0.0192740529,GGA,Pm-3m,A8BC24_cP33_221_g_a_efh:Ce-Ga-Pd,33.0,A8BC24_cP33_221_g_a_efh:Ce-Ga-Pd +mp-1078348,CeGa3Pd,-4.724782547,-0.6853307405,0.0,-0.0221432731,GGA,Cmcm,AB3C_oC20_63_c_ce_c:Ce-Ga-Pd,10.0,AB3C_oC20_63_c_ce_c:Ce-Ga-Pd +mp-1226513,CeGa3Pd,-4.712611062,-0.6731592555,0.012171485,-0.0099717881,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ce-Ga-Pd,,AB3C_tI10_107_a_ab_a:Ce-Ga-Pd +mp-1226980,Ce2Ga7Pd,-4.429068373,-0.6047951453,0.0,-0.0242457633,GGA,P4mm,A2B7C_tP10_99_ab_a2b2c_a:Ce-Ga-Pd,10.0,"Invalid WP multiplicities - A2B7C_tP10_99_ab_a2b4c_a:Ce-Ga-Pd, expected Ce2Ga11Pd to be Ce2Ga7Pd" +mp-12746,Ce2Ga10Pd,-4.1092026869,-0.4686626604,0.0062710788,0.0062710788,GGA,I4/mmm,A2B10C_tI26_139_e_d2eg_a:Ce-Ga-Pd,13.0,"Invalid WP multiplicities - A2B10C_tI26_139_e_d3eg_a:Ce-Ga-Pd, expected Ce2Ga12Pd to be Ce2Ga10Pd" +mp-639863,CeGaPd2,-5.6375651275,-0.8073279281,0.0,-0.0112734862,GGA,Pnma,ABC2_oP16_62_c_c_d:Ce-Ga-Pd,16.0,ABC2_oP16_62_c_c_d:Ce-Ga-Pd +mp-1203026,CeGa8Pd3,-4.3630114458,-0.5548862154,0.0,-0.0067839754,GGA,R-3m,AB8C3_hR108_166_d_g3h_bcf:Ce-Ga-Pd,36.0,AB8C3_hR108_166_d_g3h_bcf:Ce-Ga-Pd +mp-3494,CeGa3Pd2,-4.9564393583,-0.7269158846,0.0,-0.0116590694,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ce-Ga-Pd,6.0,AB3C2_hP6_191_a_g_c:Ce-Ga-Pd +mp-1102053,CeGaPd,-5.5112449417,-0.7975559458,0.0,-0.0901605489,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ga-Pd,12.0,ABC_oP12_62_c_c_c:Ce-Ga-Pd +mp-580215,CeGa6Pd,-4.1415259912,-0.4813326037,0.0,-0.0034921581,GGA,P4/mmm,AB6C_tP8_123_a_hi_b:Ce-Ga-Pd,8.0,"Invalid WP multiplicities - AB6C_tP8_123_a_2h2i_b:Ce-Ga-Pd, expected CeGa12Pd to be CeGa6Pd" +mp-1021280,LiMg6Bi,-1.9943474806,-0.0754609435,0.0980347466,0.0980347466,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Li-Mg, expected LiMg12Bi to be LiMg6Bi" +mp-1021273,LiMg6Bi,-1.9943688006,-0.0754822635,0.0980134266,0.0980134266,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Li-Mg, expected LiMg12Bi to be LiMg6Bi" +mp-1026768,LiMg14Bi,-1.8005045013,-0.0409212077,0.0576144921,0.0576144921,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Li-Mg, expected LiMg18Bi to be LiMg14Bi" +mp-1026790,LiMg14Bi,-1.7782121488,-0.0186288552,0.0799068446,0.0799068446,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Li-Mg, expected LiMg26Bi to be LiMg14Bi" +mp-1222652,Li2MgPb,-2.5463383775,-0.2636451642,0.0,-0.0218991345,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Pb,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Pb +mp-30758,Li2MgPb,-2.538614405,-0.2559211917,0.0077239725,-0.014175162,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Mg-Pb,4.0,A2BC_cF16_225_c_a_b:Li-Mg-Pb +mp-1206745,LiMg2Pb,-2.3018776125,-0.0963451033,0.0602099606,0.0602099606,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Pb,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Pb +mp-570213,LiMgBi,-2.8732596733,-0.4233623244,0.0,-0.06218191,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Li-Mg,3.0,ABC_cF12_216_c_a_b:Bi-Li-Mg +mp-1222662,Li2MgBi,-2.60355778,-0.2889040517,0.1438676404,0.1438676404,GGA,F-43m,AB2C_cF16_216_a_bc_d:Bi-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Bi-Li-Mg +mp-1222536,Li3Mg5Bi3Pb,-2.7180821758,-0.3045585667,0.0270883133,0.0270883133,GGA,R3m,A3B3C5D_hR36_160_3a_3a_5a_a:Bi-Li-Mg-Pb,12.0,A3B3C5D_hR36_160_3a_3a_5a_a:Bi-Li-Mg-Pb +mp-1096395,LiMgPb2,-1.5707820775,1.1628421867,1.33927583,1.3199692725,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mg-Pb,4.0,ABC2_oI8_71_a_b_e:Li-Mg-Pb +mp-1185374,LiMgPb2,-2.9100579075,-0.1764336433,0.0,-0.0193065575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Mg-Pb,4.0,ABC2_cF16_225_a_b_c:Li-Mg-Pb +mp-638442,Gd2Al6Si4Au,-6.21660859,-0.4011583146,0.0,-0.0226241265,GGA,R-3m,A6BC2D4_hR39_166_3c_a_c_2c:Al-Au-Gd-Si,13.0,"Invalid WP multiplicities - A6BC2D4_hR39_166_5c_a_c_2c:Al-Au-Gd-Si, expected Gd2Al10Si4Au to be Gd2Al6Si4Au" +mp-22711,GdAl7Au3,-5.0706239441,-0.5145513032,0.0,-0.048796669,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Gd,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Gd, expected GdAl13Au3 to be GdAl7Au3" +mp-22615,Gd(SiAu)2,-6.849905818,-0.5550013580000001,0.0,-0.061374,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Gd-Si +mp-1208587,Ta11(SiSe4)2,-8.916169019,-0.8564794090000001,0.0,-0.045149738,GGA,Pnnm,A8B2C11_oP42_58_4g_g_a5g:Se-Si-Ta,42.0,A8B2C11_oP42_58_4g_g_a5g:Se-Si-Ta +mp-1217926,TaSi4Mo,-7.8115797994,-0.4107964894,0.0533905944,0.0533905944,GGA,P2,AB4C_mP18_3_2bc_6e_2ac:Mo-Si-Ta,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2b_12e_a2c:Mo-Si-Ta, expected TaSi8Mo to be TaSi4Mo" +mp-1208613,Ta10Si2MoSe8,-8.8482993693,-0.8368063078,0.0069359649,0.0069359649,GGA,Pnnm,AB8C2D10_oP42_58_a_4g_g_5g:Mo-Se-Si-Ta,42.0,AB8C2D10_oP42_58_a_4g_g_5g:Mo-Se-Si-Ta +mp-1218047,Ta4MoSe10,-7.31233593,-1.0966109029,0.0074432733,0.0074432733,GGA,Cm,AB10C4_mC30_8_a_10a_4a:Mo-Se-Ta,15.0,AB10C4_mC30_8_a_10a_4a:Mo-Se-Ta +mp-1218097,Ta4MoSe10,-7.296525994,-1.0808009669,0.0232532093,0.0232532093,GGA,R3m,AB10C4_hR45_160_a_10a_4a:Mo-Se-Ta,15.0,AB10C4_hR45_160_a_10a_4a:Mo-Se-Ta +mp-1217785,Ta2(SiMo)3,-9.52504646,-0.458989,0.0018519144,0.0018519144,GGA,Ibam,A3B3C2_oI32_72_aj_bj_j:Mo-Si-Ta,16.0,A3B3C2_oI32_72_aj_bj_j:Mo-Si-Ta +mp-1224746,Fe(SiSe2)2,-5.2845763314,-0.5268187342,0.1769086962,0.1769086962,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-Se-Si,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_4i_i:Fe-Se-Si, expected Fe(SiSe4)2 to be Fe(SiSe2)2" +mp-1025510,FeCu2SiSe4,-4.9943383238,-0.4846635124,0.0536084481,0.0536084481,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-Se-Si,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-Se-Si +mp-1208318,TbSiPt2,-6.6886585594,-1.1381708669,0.0,-0.081053835,GGA,Pnma,A2BC_oP16_62_d_c_c:Pt-Si-Tb,16.0,A2BC_oP16_62_d_c_c:Pt-Si-Tb +mp-1206324,Tb2(SiPt)3,-5.0628398275,0.4069209538,1.4958857688,1.4958857688,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Tb,8.0,A3B3C2_tP8_123_ag_bg_g:Pt-Si-Tb +mp-11628,Tb2Al6Si4Pt,-5.1008920031,-0.5228464169,0.0,-0.0113383692,GGA,R-3m,A6BC4D2_hR39_166_3c_a_2c_c:Al-Pt-Si-Tb,13.0,"Invalid WP multiplicities - A6BC4D2_hR39_166_3c_a_4c_c:Al-Pt-Si-Tb, expected Tb2Al6Si8Pt to be Tb2Al6Si4Pt" +mp-1217683,Tb2Al3Pt,-5.21788285,-0.7884506817,0.0430318163,0.0430318163,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Pt-Tb,6.0,A3BC2_hR18_166_d_a_c:Al-Pt-Tb +mp-1208449,Tb4(Al8Pt3)3,-5.3208720654,-0.9135346546,0.0,-0.1070973378,GGA,P-1,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Tb,37.0,A24B9C4_aP37_2_12i_a4i_2i:Al-Pt-Tb +mp-569737,Tb(SiPt)2,-6.558583724,-1.033129964,0.0,-0.0725228029,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Tb +mp-1102944,TbAlPt,-5.9595826442,-1.1425575608,0.0,-0.110225975,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pt-Tb,12.0,ABC_oP12_62_c_c_c:Al-Pt-Tb +mp-7124,TbSiPt,-6.55896205,-1.1820229,0.0,-0.1512493244,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Si-Tb,12.0,ABC_oP12_62_c_c_c:Pt-Si-Tb +mp-1110740,Rb2NaNdBr6,-3.895100209,-2.1581091239,0.0323433415,0.0323433415,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Na-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Na-Nd-Rb +mp-1113236,Cs2PrAgCl6,-4.242169515,-2.1926208688,0.0072774983,0.0072774983,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Pr +mp-1112348,Cs3SmCl6,-4.3196646130000005,-2.4700632919,0.0106138228,0.0106138228,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sm,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Sm +mp-1112939,Cs2SmAgCl6,-4.248915052,-2.2055983678,0.0,-0.0113880594,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sm +mp-1213272,CsSm2Cl7,-5.0336372315,-2.7064041053,0.0,-0.1095366305,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Sm,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Sm +mp-567939,CsSmCl3,-4.52132734,-2.2894076426,0.116181794,0.116181794,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Sm,5.0,A3BC_cP5_221_c_a_b:Cl-Cs-Sm +mp-1113026,Cs2LiAuCl6,-3.376974232,-1.5704912749000002,0.1262486843,0.1262486843,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Li +mp-1110805,Rb2PrAgCl6,-4.215552182,-2.1489771957,0.0426298675,0.0426298675,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Pr-Rb +mp-1110739,Rb2NaPrBr6,-3.892945936,-2.1546790187,0.038559097,0.038559097,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Na-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Na-Pr-Rb +mp-1112631,Cs2ScAuBr6,-3.84125639,-1.7697238071,0.1061132808,0.1061132808,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Sc +mp-628647,TlHg3As2Cl3,-2.7016373692,-0.6863561434000001,0.0,-0.0142214553,GGA,Pbcm,A2B3C3D_oP36_57_e_c2d_acd_d:As-Cl-Hg-Tl,36.0,"Invalid WP multiplicities - A2B3C3D_oP36_57_e_c7d_3a3c4d_d:As-Cl-Hg-Tl, expected TlHg10(AsCl4)2 to be TlHg3As2Cl3" +mp-1110684,Rb2LiBiCl6,-3.817399818,-1.9372298078,0.0,-0.0385212603,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Li-Rb +mp-1224961,FeCuTe2,-4.93891987,-0.2249599533,0.1215363537,0.1215363537,GGA,P-4m2,ABC2_tP4_115_a_b_g:Cu-Fe-Te,4.0,ABC2_tP4_115_a_b_g:Cu-Fe-Te +mp-1224565,InFe(CuTe2)2,-4.3147654325,-0.3155977008,0.0982197512,0.0982197512,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Cu-Fe-In-Te,8.0,A2BCD4_tI16_82_ac_b_d_g:Cu-Fe-In-Te +mp-1111484,Rb2TlCuBr6,-3.130609608,-1.3565008138,0.0105933509,0.0105933509,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Tl +mp-569378,Rb3Ta2AgSe12,-4.9896277783,-1.020702711,0.0,-0.0696478671,GGA,P2_1/c,AB3C12D2_mP72_14_e_3e_12e_2e:Ag-Rb-Se-Ta,72.0,"Invalid WP multiplicities - AB3C12D2_mP72_14_e_6e_44e_6e:Ag-Rb-Se-Ta, expected Rb6Ta6AgSe44 to be Rb3Ta2AgSe12" +mp-1112517,Cs2RbGaCl6,-3.691804996,-2.0027395161,0.0616365307,0.0616365307,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Rb +mp-1111708,CsRb2GaCl6,-3.634215759,-1.936637109,0.1257234157,0.1257234157,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Ga-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Ga-Rb +mp-570609,TlGaCl4,-3.6958796975,-1.565065396,0.0,-0.0784802983,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Ga-Tl,24.0,"Invalid WP multiplicities - A4BC_oP24_62_7c6d_c_c:Cl-Ga-Tl, expected TlGaCl19 to be TlGaCl4" +mp-1114004,Rb2TlGaCl6,-3.628683487,-1.7843807596,0.0753295165,0.0753295165,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-Rb-Tl +mp-1226806,CdGa4As4Se,-3.943873377,-0.4271074822,0.026029172,0.026029172,GGA,R3m,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-Ga-Se,10.0,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-Ga-Se +mp-1221863,Mn2InCuTe4,-4.985427025,-0.2669089553,0.1253561103,0.1253561103,GGA,I4/mmm,ABC2D4_tI16_139_a_b_d_ce:Cu-In-Mn-Te,8.0,"Invalid WP multiplicities - ABC2D4_tI16_139_a_b_d_2c2e:Cu-In-Mn-Te, expected Mn2InCuTe8 to be Mn2InCuTe4" +mp-1222078,Mn(CuTe)2,-4.9564752285,-0.2270671448,0.0156460825,0.0156460825,GGA,F-43m,A2BC2_cF80_216_acf_e_2e:Cu-Mn-Te,20.0,A2BC2_cF80_216_acf_e_2e:Cu-Mn-Te +mp-1221781,MnInCuTe3,-4.652489735,-0.412019173,0.0098704031,0.0098704031,GGA,Cm,ABCD3_mC12_8_a_a_a_3a:Cu-In-Mn-Te,6.0,ABCD3_mC12_8_a_a_a_3a:Cu-In-Mn-Te +mp-1100877,Zn7(Ga11Te20)2,-3.0142081386,-0.098721856,0.5120669255,0.5120669255,GGA,R3m,A22B40C7_hR207_160_22a_40a_7a:Ga-Te-Zn,69.0,A22B40C7_hR207_160_22a_40a_7a:Ga-Te-Zn +mp-15777,Zn(GaTe2)2,-3.4666198857,-0.6253114245,0.0,-0.0186440343,GGA,I-4,A2B4C_tI14_82_ac_g_b:Ga-Te-Zn,7.0,A2B4C_tI14_82_ac_g_b:Ga-Te-Zn +mp-1215508,Zn(GaTe2)2,-3.17091965,-0.3296111888,0.2957002357,0.2770562014,GGA,I-4m2,A2B4C_tI14_119_ac_ef_b:Ga-Te-Zn,7.0,"Invalid WP multiplicities - A2B4C_tI14_119_ac_2e2f_b:Ga-Te-Zn, expected Zn(GaTe4)2 to be Zn(GaTe2)2" +mp-1215565,Zn2GaCuTe4,-3.3633245775,-0.5858228918,0.0039915663,0.0039915663,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Cu-Ga-Te-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Cu-Ga-Te-Zn +mp-1215666,Zn3(GaTe3)2,-3.2439263973,-0.6352665577000001,0.0114454518,0.0114454518,GGA,C2,A2B6C3_mC22_5_c_3c_ac:Ga-Te-Zn,11.0,"Invalid WP multiplicities - A2B6C3_mC22_5_c_5c_a2c:Ga-Te-Zn, expected Zn5(GaTe5)2 to be Zn3(GaTe3)2" +mp-6244,HoCuPbSe3,-5.0526697796,-1.2390036058,0.0,-0.005530284,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Ho-Pb-Se,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Ho-Pb-Se +mp-1224562,Ho6Pb2Se11,-5.7136068579,-1.8517766677,0.0228092629,0.0228092629,GGA,Cmc2_1,A6B2C11_oC76_36_6a_2a_11a:Ho-Pb-Se,38.0,"Invalid WP multiplicities - A6B2C11_oC76_36_8a_2a_16a:Ho-Pb-Se, expected Ho4PbSe8 to be Ho6Pb2Se11" +mp-1212275,Ho5CuPb3,-4.7182837217,-0.479484585,0.0024487476,0.0024487476,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Ho-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cu-Ho-Pb +mp-16750,HoCuPb,-4.5119015583,-0.3804806883,0.0,-0.049234379,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Ho-Pb,6.0,ABC_hP6_186_b_a_b:Cu-Ho-Pb +mp-1072011,HoCuPb,-4.452513815,-0.321092945,0.0593877433,0.0101533643,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Ho-Pb,6.0,ABC_hP6_194_c_a_d:Cu-Ho-Pb +mp-1102101,ScCoSn,-6.2964005608,-0.4796143092,0.0015300865,0.0015300865,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Sc-Sn,12.0,ABC_oP12_62_c_c_c:Co-Sc-Sn +mp-3791,ScCo2Sn,-6.549364115,-0.4096949775,0.0,-0.0499842456,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sc-Sn,4.0,A2BC_cF16_225_c_a_b:Co-Sc-Sn +mp-1093643,Sc2CoNi,-4.141063825,2.2472843462,2.6861887275000003,2.6861887275000003,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ni-Sc,4.0,ABC2_oI8_71_a_b_e:Co-Ni-Sc +mp-1186936,Sc2CoNi,-6.816066485,-0.4277183138,0.0111860675,0.0111860675,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ni-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Ni-Sc +mp-1203372,Sc5(CoSn3)6,-5.3668942376,-0.3157030071,0.0,-0.0283829151,GGA,I4_1/acd,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Sc-Sn,116.0,A6B5C18_tI232_142_dg_bg_e2f3g:Co-Sc-Sn +mp-1219300,ScCoNiSn,-6.255666255,-0.4480423963,0.0326416713,0.0326416713,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Ni-Sc-Sn,4.0,ABCD_cF16_216_a_b_c_d:Co-Ni-Sc-Sn +mp-680136,Cd13(In13Se27)2,-3.7165559531,-0.7883778493,0.0365746838,0.0365746838,GGA,P2_12_12,A13B26C54_oP186_18_a2b5c_2a12c_27c:Cd-In-Se,186.0,"Invalid WP multiplicities - A13B26C54_oP186_18_2a4b20c_4a47c_106c:Cd-In-Se, expected Cd23In49Se106 to be Cd13(In13Se27)2" +mp-703302,Cd9(InSe2)20,-3.5846874319,-0.6401056703,0.1874370744,0.1874370744,GGA,P1,A9B20C40_aP69_1_9a_20a_40a:Cd-In-Se,69.0,A9B20C40_aP69_1_9a_20a_40a:Cd-In-Se +mp-1226990,Cd3(InSe3)2,-3.4879885336,-0.8291243876000001,0.0176790173,0.0176790173,GGA,R3,A3B2C6_hR33_146_b_2a_3ab:Cd-In-Se,11.0,A3B2C6_hR33_146_b_2a_3ab:Cd-In-Se +mp-22304,Cd(InSe2)2,-3.7574699543,-0.8417695071,0.0,-0.0245672674,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cd-In-Se,7.0,AB2C4_tI14_82_a_bc_g:Cd-In-Se +mp-568032,Cd(InSe2)2,-3.7532594014,-0.8375589542,0.0042105529,-0.0203567145,GGA,P-42m,AB2C4_tP7_111_a_f_n:Cd-In-Se,7.0,AB2C4_tP7_111_a_f_n:Cd-In-Se +mp-38170,Cd(InSe2)2,-3.5530278986,-0.6373274513,0.2044420557,0.1798747883,GGA,I-4m2,AB2C4_tI14_119_a_bc_ef:Cd-In-Se,7.0,"Invalid WP multiplicities - AB2C4_tI14_119_a_bc_e2f:Cd-In-Se, expected Cd(InSe3)2 to be Cd(InSe2)2" +mp-568661,Cd(InSe2)2,-3.7548149357,-0.8391144885,0.0026550186,-0.0219122488,GGA,I-42m,AB2C4_tI14_121_a_d_i:Cd-In-Se,7.0,AB2C4_tI14_121_a_d_i:Cd-In-Se +mp-22587,Cd(InSe2)2,-3.7167675736,-0.8010671263,0.0407023807,0.0161351133,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-In-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-In-Se +mp-1226742,CdInAsSe,-3.4823085075,-0.5249076643,0.0172299625,0.0172299625,GGA,R3m,ABCD_hR12_160_a_a_a_a:As-Cd-In-Se,4.0,ABCD_hR12_160_a_a_a_a:As-Cd-In-Se +mp-664012,Rb2TaCuSe4,-5.1842038906,-1.1964915962,0.00839998,-0.1181798499,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Rb-Se-Ta,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Rb-Se-Ta +mp-11924,Rb2TaCuSe4,-5.1926038706,-1.2048915762,0.0,-0.1265798299,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-Se-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-Se-Ta +mp-1210710,Rb2TaCuSe2,-4.2920863883,-0.1404404883,0.7974962286,0.7974962286,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Cu-Rb-Se-Ta,24.0,AB2C2D_oF96_70_c_h_h_d:Cu-Rb-Se-Ta +mp-11925,RbTa(CuSe2)2,-5.365452875,-0.9879065059,0.0,-0.0100931716,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Cu-Rb-Se-Ta,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_ab_b_4bc_b:Cu-Rb-Se-Ta, expected RbTa(CuSe3)2 to be RbTa(CuSe2)2" +mp-1218982,SmZnCuAs2,-4.553457624,-0.674302979,0.0,-0.0013881746,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Sm-Zn,5.0,A2BCD_hP5_156_ab_a_c_b:As-Cu-Sm-Zn +mp-980066,Sm2(CuAs)3,-5.2390687994,-0.7750503625,0.0,-0.0152181775,GGA,Pnma,A3B3C2_oP32_62_3c_3c_2c:As-Cu-Sm,32.0,A3B3C2_oP32_62_3c_3c_2c:As-Cu-Sm +mp-616173,Ce5NiGe2,-6.0156164753,-0.4291617047,0.0682251247,0.0682251247,GGA,P4/ncc,A5B2C_tP32_130_bg_f_c:Ce-Ge-Ni,32.0,"Invalid WP multiplicities - A5B2C_tP32_130_4b4g_f_c:Ce-Ge-Ni, expected Ce20NiGe2 to be Ce5NiGe2" +mp-1213960,Ce2Ni3Ge5,-5.881168644,-0.6489958815,0.0,-0.0071187637,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Ni,20.0,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Ni +mp-20616,CeNiGe,-6.1845130142,-0.7390951175,0.0,-0.0711026104,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ge-Ni,12.0,ABC_oP12_62_c_c_c:Ce-Ge-Ni +mp-1076951,CeNiGe,-6.1837618917,-0.738343995,0.0007511225,-0.0703514879,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Ge-Ni,6.0,ABC_hP6_194_a_c_d:Ce-Ge-Ni +mp-1213990,Ce11(Ni2Ge3)2,-6.1326853862,-0.6030332645,0.0,-0.0133973096,GGA,C2/m,A11B6C4_mC42_12_a5i_3i_2i:Ce-Ge-Ni,21.0,A11B6C4_mC42_12_a5i_3i_2i:Ce-Ge-Ni +mp-1206003,Ce2NiGe6,-5.5569697756,-0.51424954,0.0309688793,0.0309688793,GGA,Amm2,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Ni,9.0,A2B6C_oC18_38_2a_2a4b_b:Ce-Ge-Ni +mp-1193206,CeNi9Ge4,-5.8573684225,-0.3969090871,0.0155251937,0.0155251937,GGA,I4/mcm,AB4C9_tI56_140_a_l_dkl:Ce-Ge-Ni,28.0,AB4C9_tI56_140_a_l_dkl:Ce-Ge-Ni +mp-1205748,CeNiGe3,-5.687227568,-0.570765688,0.010116815,0.010116815,GGA,Cmmm,AB3C_oC20_65_g_g2h_h:Ce-Ge-Ni,10.0,AB3C_oC20_65_g_g2h_h:Ce-Ge-Ni +mp-3325,Ce(NiGe)2,-6.015280398,-0.667396753,0.0,-0.0493765523,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Ni +mp-1206464,Ce3(NiGe)4,-6.1004333418,-0.6993491959,0.0071557559,0.0071557559,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:Ce-Ge-Ni,,A3B4C4_oI22_71_af_ef_ef:Ce-Ge-Ni +mp-1191014,Ce3NiGe2,-6.1238890704,-0.6529790946,0.0015194158,0.0015194158,GGA,Pnma,A3B2C_oP24_62_3c_2c_c:Ce-Ge-Ni,24.0,A3B2C_oP24_62_3c_2c_c:Ce-Ge-Ni +mp-1213875,Ce3Ni2Ge7,-5.8082370025,-0.6648423517000001,0.0,-0.0277883219,GGA,Cmmm,A3B7C2_oC24_65_ah_c2gh_g:Ce-Ge-Ni,12.0,A3B7C2_oC24_65_ah_c2gh_g:Ce-Ge-Ni +mp-3541,CeNiGe2,-5.965923515,-0.7261031288,0.0,-0.0494014089,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ce-Ge-Ni,8.0,AB2C_oC16_63_c_2c_c:Ce-Ge-Ni +mp-20722,CeFeGe3,-6.1596659240000005,-0.5052271380000001,0.0,-0.0892042602,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Fe-Ge,5.0,"Invalid WP multiplicities - ABC3_tI10_107_a_a_a2b:Ce-Fe-Ge, expected CeFeGe5 to be CeFeGe3" +mp-1226922,Ce2NiGe3,-5.9170230217,-0.6644565958,0.0546613058,0.0546613058,GGA,P-6m2,A2B3C_hP6_187_i_abc_d:Ce-Ge-Ni,6.0,A2B3C_hP6_187_i_abc_d:Ce-Ge-Ni +mp-1102475,Ce2NiGe3,-5.96849516,-0.7159287342,0.0031891675,0.0031891675,GGA,P6/mmm,A2B3C_hP12_191_af_m_d:Ce-Ge-Ni,12.0,A2B3C_hP12_191_af_m_d:Ce-Ge-Ni +mp-1228034,CeFe(Ni2Ge)4,-6.0137536325,-0.3611596879,0.0429259961,0.0429259961,GGA,Fmm2,ABC4D8_oF112_42_b_c_2c2d_2ac2d2e:Ce-Fe-Ge-Ni,28.0,"Invalid WP multiplicities - ABC4D8_oF112_42_b_c_2c2d_2ac2d3e:Ce-Fe-Ge-Ni, expected CeFe(Ni5Ge2)2 to be CeFe(Ni2Ge)4" +mp-1226721,CeFeNi4,-6.4306850617,-0.1767422142,0.1269848732,0.1269848732,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ce-Fe-Ni,6.0,ABC4_hP6_187_a_c_ek:Ce-Fe-Ni +mp-21882,Ce(FeGe)2,-6.874182032,-0.450344575,0.0,-0.054610304,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Fe-Ge,5.0,AB2C2_tI10_139_a_d_e:Ce-Fe-Ge +mp-1227942,BaGaGe,-3.73212694,-0.5420940008,0.0017001308,-0.0217375444,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Ga-Ge,3.0,ABC_hP3_187_b_c_e:Ba-Ga-Ge +mp-1102026,BaGaGe,-3.7338270708,-0.5437941317,0.0,-0.0234376752,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ba-Ga-Ge,12.0,ABC_hP12_194_ab_f_f:Ba-Ga-Ge +mp-1227970,BaGa2GeSe6,-4.469019061,-1.1116526904,0.0162886586,0.0162886586,GGA,P1,AB2CD6_aP10_1_a_2a_a_6a:Ba-Ga-Ge-Se,10.0,AB2CD6_aP10_1_a_2a_a_6a:Ba-Ga-Ge-Se +mp-1214614,Ba4Ga3Ge20,-4.2787674422,-0.2335546671,0.0205726102,0.0205726102,GGA,Pm-3n,A4B3C20_cP54_223_ac_d_ik:Ba-Ga-Ge,54.0,A4B3C20_cP54_223_ac_d_ik:Ba-Ga-Ge +mp-1208694,TaIn(CuSe2)2,-5.1098771556,-0.5109370793,0.2634615131,0.2634615131,GGA,P-42c,A2BC4D_tP16_112_be_d_n_f:Cu-In-Se-Ta,16.0,A2BC4D_tP16_112_be_d_n_f:Cu-In-Se-Ta +mp-1179749,RbCu3GeSe4,-3.9704435833,-0.4276849335,0.1923157542,0.1923157542,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-Rb-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-Rb-Se +mp-541880,Rb2Ge2Se5,-4.1474744081,-0.960065381,0.0,-0.0265630968,GGA,C2/c,A2B2C5_mC72_15_2f_2f_2e4f:Ge-Rb-Se,36.0,A2B2C5_mC72_15_2f_2f_2e4f:Ge-Rb-Se +mp-9794,Rb2GeSe3,-3.9558972908,-1.1105922187,0.0,-0.0887211706,GGA,C2/m,AB2C3_mC24_12_i_2i_g2i:Ge-Rb-Se,12.0,AB2C3_mC24_12_i_2i_g2i:Ge-Rb-Se +mp-4043,NbCu3Se4,-5.2989086487,-0.7510872787,0.0,-0.1163538691,GGA,P-43m,A3BC4_cP8_215_c_b_e:Cu-Nb-Se,8.0,A3BC4_cP8_215_c_b_e:Cu-Nb-Se +mp-15223,Cs2NbCuSe4,-4.9686548212,-1.2217845257,0.0,-0.1902669212,GGA,Fddd,A2BCD4_oF64_70_e_a_b_h:Cs-Cu-Nb-Se,16.0,A2BCD4_oF64_70_e_a_b_h:Cs-Cu-Nb-Se +mp-1220686,Nb2CuSe4,-6.4425991886,-0.9732473799,0.0247060802,0.0247060802,GGA,P3m1,AB2C4_hP7_156_a_ab_2a2b:Cu-Nb-Se,7.0,AB2C4_hP7_156_a_ab_2a2b:Cu-Nb-Se +mp-1220674,Nb3(CuSe3)2,-6.3619211655,-0.9548486813,0.0,-0.0043272265,GGA,Cmc2_1,A2B3C6_oC44_36_2a_3a_6a:Cu-Nb-Se,22.0,A2B3C6_oC44_36_4a_6a_12a:Cu-Nb-Se +mp-1220412,NbCuSe2,-6.1077871625,-0.8097034962,0.0655744617,0.0655744617,GGA,P6_3mc,ABC2_hP8_186_b_b_2b:Cu-Nb-Se,8.0,"Invalid WP multiplicities - ABC2_hP8_186_b_b_4b:Cu-Nb-Se, expected NbCuSe4 to be NbCuSe2" +mp-1220460,Nb4CuSe8,-6.64460195,-1.0698543614,0.0010456474,0.0010456474,GGA,C2/m,AB4C8_mC26_12_a_2i_4i:Cu-Nb-Se,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_4i_6i:Cu-Nb-Se, expected Nb8CuSe12 to be Nb4CuSe8" +mp-1220463,Nb6CuSe8,-7.0880858433,-0.9097972613,0.1487171433,0.1487171433,GGA,P-3,AB6C8_hP15_147_a_g_dg:Cu-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:Cu-Nb-Se +mp-1197158,Cs3Nb2Se11,-4.9375530333,-1.1035628176,0.0,-0.0608867703,GGA,P2_1/c,A3B2C11_mP64_14_3e_2e_11e:Cs-Nb-Se,64.0,A3B2C11_mP64_14_3e_2e_11e:Cs-Nb-Se +mp-33406,La2PbSe4,-5.8032987979,-1.8649691992,0.0150007648,0.0150007648,GGA,I-42d,A2BC4_tI28_122_d_a_e:La-Pb-Se,14.0,A2BC4_tI28_122_d_a_e:La-Pb-Se +mp-1223272,La2Si2PbSe8,-5.6004981996000005,-1.5695298026,0.0,-0.2013943518,GGA,Cc,A2BC8D2_mC52_9_2a_a_8a_2a:La-Pb-Se-Si,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_9_4a_a_14a_2a:La-Pb-Se-Si, expected La4Si2PbSe14 to be La2Si2PbSe8" +mp-1188274,La5Pb3Se,-5.37636951,-1.0081597086,0.0,-0.0252755517,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:La-Pb-Se,18.0,A5B3C_hP18_193_dg_g_b:La-Pb-Se +mp-30931,Na4SiSe4,-3.9121548131,-1.1678142448,0.0,-0.0106326897,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:Na-Se-Si,36.0,A4B4C_oP36_62_acd_2cd_c:Na-Se-Si +mp-28303,Na3SiSe4,-4.0242721741,-1.1022046964,0.0,-0.0042668041,GGA,P2_1/c,A3B4C_mP64_14_6e_8e_2e:Na-Se-Si,64.0,"Invalid WP multiplicities - A3B4C_mP64_14_8e_10e_2e:Na-Se-Si, expected Na4SiSe5 to be Na3SiSe4" +mp-18562,Na2Si2Se5,-4.4359055822,-0.9942118005,0.0,-0.0179293522,GGA,Cmcm,A2B5C2_oC72_63_eg_2cfgh_fg:Na-Se-Si,36.0,A2B5C2_oC72_63_eg_2cfgh_fg:Na-Se-Si +mp-1210213,Na3Sm2(SiSe3)2,-4.7216603885,-1.242363998,0.2422931775,0.2422931775,GGA,C2/m,A3B6C2D2_mC26_12_ag_ij_i_h:Na-Se-Si-Sm,13.0,A3B6C2D2_mC26_12_ag_ij_i_h:Na-Se-Si-Sm +mp-16961,Na6Si2Se7,-4.02857967,-1.144768459,0.0,-0.0116747031,GGA,C2/c,A6B7C2_mC60_15_ae2f_e3f_f:Na-Se-Si,30.0,A6B7C2_mC60_15_ce2f_e3f_f:Na-Se-Si +mp-1220844,Na9Sm(SiSe3)4,-4.3198457123,-1.2324024958,0.0,-0.0247317668,GGA,C2,A9B12C4D_mC52_5_a2b3c_6c_2c_a:Na-Se-Si-Sm,26.0,"Invalid WP multiplicities - A9B12C4D_mC52_5_a2b3c_12c_4c_a:Na-Se-Si-Sm, expected Na9Sm(SiSe3)8 to be Na9Sm(SiSe3)4" +mp-1103155,LaSiRh,-6.8810949883,-0.9725506533,0.0,-0.0291812168,GGA,P2_13,ABC_cP12_198_a_a_a:La-Rh-Si,12.0,ABC_cP12_198_a_a_a:La-Rh-Si +mp-1070124,LaSi3Rh,-6.555242764,-0.839988951,0.0,-0.0759302397,GGA,I4mm,ABC3_tI10_107_a_a_ab:La-Rh-Si,5.0,ABC3_tI10_107_a_a_ab:La-Rh-Si +mp-1102955,LaSi2Rh3,-7.3724529125,-1.0591917833,0.0,-0.1392388486,GGA,Imma,AB3C2_oI24_74_e_ag_i:La-Rh-Si,12.0,AB3C2_oI24_74_e_ag_i:La-Rh-Si +mp-29726,LaSi2Rh3,-7.33600615,-1.0227450208,0.0364467625,-0.1027920861,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:La-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:La-Rh-Si +mp-1211323,La2Si3Rh,-6.5101808042,-0.9248014425,0.0018690346,-0.0730134481,GGA,P6/mmm,A2BC3_hP12_191_af_d_m:La-Rh-Si,12.0,A2BC3_hP12_191_af_d_m:La-Rh-Si +mp-1191810,La2Si3Rh,-6.5120498387,-0.9266704771,0.0,-0.0748824826,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:La-Rh-Si,24.0,A2BC3_hP12_191_af_d_m:La-Rh-Si +mp-601852,La3Si2Rh3,-6.8868725062,-0.9179248831,0.0,-0.0029213322,GGA,Pnma,A3B3C2_oP32_62_cd_cd_d:La-Rh-Si,32.0,"Invalid WP multiplicities - A3B3C2_oP32_62_3c3d_3c4d_d:La-Rh-Si, expected La9Si2Rh11 to be La3Si2Rh3" +mp-5936,La(SiRh)2,-7.14788254,-1.044830759,0.0,-0.0300738999,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:La-Rh-Si +mp-8620,La2Si5Rh3,-6.870117667,-0.96096487,0.0,-0.018555015,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:La-Rh-Si,20.0,"Invalid WP multiplicities - A2B3C5_oI40_72_j_2a2j_bfj:La-Rh-Si, expected La2Si5Rh6 to be La2Si5Rh3" +mp-1222890,LaFeSi2Rh,-7.133426478,-0.809232029,0.00523256,0.00523256,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Fe-La-Rh-Si,5.0,ABCD2_tI10_119_a_c_b_f:Fe-La-Rh-Si +mp-568082,La3CuSiSe7,-5.8038650517,-1.7368711885,0.0,-0.0578008645,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b7c_b:Cu-La-Se-Si, expected La3CuSiSe23 to be La3CuSiSe7" +mp-1226866,CeInCu,-4.5022272967,-0.2409007783,0.1132420756,0.0395878906,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Cu-In,3.0,ABC_hP3_187_b_c_e:Ce-Cu-In +mp-20665,CeInCu,-4.6154693722,-0.3541428539,0.0,-0.073654185,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Cu-In,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Ce-Cu-In, expected Ce3In3Cu5 to be CeInCu" +mp-1077348,CeInCu,-4.505361775,-0.2440352567,0.1101075972,0.0364534122,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Cu-In,6.0,ABC_hP6_194_a_c_d:Ce-Cu-In +mp-1227288,Ce2In3Cu,-4.337576445,-0.3008370833,0.0613476444,0.0613476444,GGA,Pmm2,A2BC3_oP6_25_bd_a_a2c:Ce-Cu-In,6.0,A2BC3_oP6_25_bd_a_a2c:Ce-Cu-In +mp-642448,Ce2InCuSe5,-5.4768106706,-1.4549633263,0.0101346776,0.0101346776,GGA,Pnma,A2BCD5_oP36_62_2c_c_c_5c:Ce-Cu-In-Se,36.0,"Invalid WP multiplicities - A2BCD5_oP36_62_6c_c_c_20c:Ce-Cu-In-Se, expected Ce6InCuSe20 to be Ce2InCuSe5" +mp-1214036,CeInCu5,-4.3624167657,-0.1937301607,0.0,-0.0419546519,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Ce-Cu-In,28.0,AB5C_oP28_62_c_3cd_c:Ce-Cu-In +mp-1214056,Ce9In2Cu,-5.0272233354,0.2228080417,0.3803576885,0.3803576885,GGA,P4/mbm,A9BC2_tP24_127_cjk_a_g:Ce-Cu-In,24.0,A9BC2_tP24_127_cjk_a_g:Ce-Cu-In +mp-1079383,Ce2InCu2,-4.485107727,0.078147349,0.3436723213,0.3436723213,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ce-Cu-In,10.0,A2B2C_tP10_127_g_h_a:Ce-Cu-In +mp-1206783,Ce2InCu2,-4.807937416,-0.24468234,0.0208426323,0.0208426323,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Cu-In,10.0,A2B2C_tP10_127_h_g_a:Ce-Cu-In +mp-1227242,CeIn7Cu5,-3.59013452,-0.0754492419,0.0523144878,0.0523144878,GGA,Imm2,AB5C7_oI26_44_a_be_2ab2c:Ce-Cu-In,13.0,AB5C7_oI26_44_a_be_2ab2c:Ce-Cu-In +mp-19834,CeInCu2,-4.4677230875,-0.2469265312,0.0370357694,0.0370357694,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Cu-In,4.0,AB2C_cF16_225_a_c_b:Ce-Cu-In +mp-1229267,CeIn3(CuSe2)4,-4.4375469919,-0.7780308140000001,0.0847566962,0.0847566962,GGA,P-4,AB4C3D8_tP16_81_a_bcg_dg_2h:Ce-Cu-In-Se,16.0,"Invalid WP multiplicities - AB4C3D8_tP16_81_a_bcg_dg_7h:Ce-Cu-In-Se, expected CeIn3(CuSe7)4 to be CeIn3(CuSe2)4" +mp-1112632,Cs2AsAuBr6,-3.193295796,-1.2890982831,0.0276797162,0.0276797162,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-Cs +mp-1213166,CsSmBr3,-4.0646808625,-2.0100661631,0.0859704078,0.0859704078,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Cs-Sm,20.0,A3BC_oP20_62_cd_c_a:Br-Cs-Sm +mp-1213498,CsSm(NbBr3)6,-5.1987914306,-1.5766249426,0.0,-0.0277552037,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Sm,52.0,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Sm +mp-1111475,Na2LiScCl6,-4.39899975,-2.2012334981,0.1032697633,0.1032697633,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Sc +mp-773980,Bi3(TeCl5)2,-3.6079951163,-1.1884320646,0.032941395,0.0292893951,GGA,P-1,A3B10C2_aP30_2_3i_10i_2i:Bi-Cl-Te,30.0,"Invalid WP multiplicities - A3B10C2_aP30_2_5i_19i_3i:Bi-Cl-Te, expected Bi5Te3Cl19 to be Bi3(TeCl5)2" +mp-1193877,Bi3(TeCl5)2,-3.6409365113,-1.2213734596,0.0,-0.0036519999,GGA,P-1,A3B10C2_aP30_2_3i_10i_2i:Bi-Cl-Te,30.0,A3B10C2_aP30_2_3i_10i_2i:Bi-Cl-Te +mp-1192395,Hg3Bi2(TeCl4)2,-3.0929632507,-1.1151682892,0.0,-0.0402682023,GGA,C2/c,A2B8C3D2_mC60_15_f_4f_cf_f:Bi-Cl-Hg-Te,30.0,A2B8C3D2_mC60_15_f_4f_af_f:Bi-Cl-Hg-Te +mp-703866,Bi2Te7Cl8,-3.4401441341,-0.8241198522000001,0.0070678847,0.002177237,GGA,P1,A2B8C7_aP34_1_4a_16a_14a:Bi-Cl-Te,34.0,A2B8C7_aP34_2_2i_8i_7i:Bi-Cl-Te +mp-30097,Bi2Te7Cl8,-3.4472120188,-0.8311877369,0.0,-0.0048906477,GGA,P-1,A2B8C7_aP34_2_2i_8i_7i:Bi-Cl-Te,34.0,A2B8C7_aP34_2_2i_8i_7i:Bi-Cl-Te +mp-29102,Hg3TeCl4,-2.3248586845,-0.893796981,0.0,-0.0201640972,GGA,Pbca,A4B3C_oP64_61_4c_3c_c:Cl-Hg-Te,64.0,"Invalid WP multiplicities - A4B3C_oP64_61_6c_4c_c:Cl-Hg-Te, expected Hg4TeCl6 to be Hg3TeCl4" +mp-27852,Hg3(TeCl)2,-2.254835245,-0.6984457876,0.0,-0.0250788917,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Cl-Hg-Te,14.0,A2B3C2_cI28_199_a_b_a:Cl-Hg-Te +mp-29991,Bi2Te4Cl7,-3.5261648387,-0.9727834193,0.0047473351,0.0047473351,GGA,P2_12_12_1,A2B7C4_oP104_19_4a_14a_8a:Bi-Cl-Te,104.0,A2B7C4_oP104_19_4a_14a_8a:Bi-Cl-Te +mp-28944,BiTeCl,-3.9029391233,-0.9588285622,0.0,-0.0518668417,GGA,P6_3mc,ABC_hP6_186_b_a_b:Bi-Cl-Te,6.0,ABC_hP6_186_b_a_b:Bi-Cl-Te +mp-1112671,Cs2LiSmCl6,-4.430113056,-2.4791596854,0.0,-0.019397483,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sm +mp-669455,Ga4Hg11(AsBr4)4,-2.5076224077,-0.8236854076,0.0,-0.0613973313,GGA,C2/m,A4B16C4D11_mC70_12_2i_4i2j_2i_a3ij:As-Br-Ga-Hg,35.0,"Invalid WP multiplicities - A4B16C4D11_mC70_12_2i_8i7j_2i_a6ij:As-Br-Ga-Hg, expected Ga4Hg17(AsBr11)4 to be Ga4Hg11(AsBr4)4" +mp-20207,MnAsRh,-7.2798184644,-0.2180046088,0.12921483,0.1027508615,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Mn-Rh,9.0,ABC_hP9_189_ad_g_f:As-Mn-Rh +mp-567856,MnAsRh,-7.4090332944,-0.3472194388,0.0,-0.0264639685,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Mn-Rh,9.0,ABC_hP9_189_ad_f_g:As-Mn-Rh +mp-1180259,MnAsRh,-7.3068240644,-0.2450102088,0.10220923,0.0757452615,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Mn-Rh,9.0,ABC_hP9_189_ad_g_f:As-Mn-Rh +mp-1017515,Mn2CoAs,-7.6034741675,-0.0806074715,0.128373048,0.128373048,GGA,F-43m,ABC2_cF16_216_a_c_bd:As-Co-Mn,4.0,ABC2_cF16_216_a_c_bd:As-Co-Mn +mp-22546,CoAsRh,-6.6863521817,-0.3091041583,0.0212311492,0.0212311492,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-Rh,12.0,ABC_oP12_62_c_c_c:As-Co-Rh +mp-1221723,Mn3CoAs2,-7.4789714783,-0.1602047315,0.069306487,0.069306487,GGA,P-4m2,A2BC3_tP6_115_g_a_bg:As-Co-Mn,6.0,A2BC3_tP6_115_g_a_bg:As-Co-Mn +mp-1221779,Mn3CoAs3Rh2,-7.3490740589,-0.3157035449,0.0086563119,0.0086563119,GGA,Amm2,A3BC3D2_oC18_38_ae_b_ad_e:As-Co-Mn-Rh,9.0,A3BC3D2_oC18_38_ae_b_ad_e:As-Co-Mn-Rh +mp-1221966,Mn2CoAs2Rh,-7.3203791817,-0.3012303385,0.0116997272,0.0116997272,GGA,Pm,A2BC2D_mP18_6_4a2b_3a_6b_3a:As-Co-Mn-Rh,18.0,A2BC2D_mP18_6_4a2b_3a_6b_3a:As-Co-Mn-Rh +mp-1221750,Mn3Co2As3Rh,-7.2908258322,-0.2858986599,0.0156016148,0.0156016148,GGA,Amm2,A3B2C3D_oC18_38_ae_e_ad_b:As-Co-Mn-Rh,9.0,A3B2C3D_oC18_38_ae_e_ad_b:As-Co-Mn-Rh +mp-1102618,MnCoAs,-7.2551245233,-0.2786406926,0.0,-0.0780297754,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-Mn,12.0,ABC_oP12_62_c_c_c:As-Co-Mn +mp-1096923,CrFeCoNi,-7.6131276669,0.1397531219,0.1930330245,0.1930330245,GGA,P1,ABCD_aP64_1_16a_16a_16a_16a:Co-Cr-Fe-Ni,64.0,ABCD_aP64_1_16a_16a_16a_16a:Co-Cr-Fe-Ni +mp-1012640,CrFeCoNi,-7.7409480237,0.011932765,0.0652126676,0.0652126676,GGA,Pm,ABCD_mP8_6_2a_ab_ab_2b:Co-Cr-Fe-Ni,8.0,ABCD_mP8_6_2a_ab_ab_2b:Co-Cr-Fe-Ni +mp-1189464,ZrTl2PbSe4,-4.9259161169,-1.0547561289,0.0,-0.0199523579,GGA,C2/c,AB4C2D_mC32_15_e_2f_f_e:Pb-Se-Tl-Zr,16.0,AB4C2D_mC32_15_e_2f_f_e:Pb-Se-Tl-Zr +mp-27948,Ge(BiTe2)2,-3.99526846,-0.4413785045,0.0088934786,0.0088934786,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-Ge-Te,7.0,A2BC4_hR21_166_c_a_2c:Bi-Ge-Te +mp-676168,Ag8GeTe6,-3.265980119,-0.1897593696,0.0406882315,0.0406882315,GGA,P1,A8BC6_aP30_1_16a_2a_12a:Ag-Ge-Te,30.0,A8BC6_aP30_1_16a_2a_12a:Ag-Ge-Te +mp-676555,Ag8GeTe6,-3.2320503513,-0.1558296019,0.0746179992,0.0746179992,GGA,P1,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te,15.0,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te +mp-676799,Ag8GeTe6,-3.2698696113,-0.1936488619,0.0367987392,0.0367987392,GGA,P1,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te,15.0,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te +mp-685969,Ag8GeTe6,-3.2848303127,-0.2086095632,0.0218380378,0.0218380378,GGA,P1,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te,15.0,A8BC6_aP15_1_8a_a_6a:Ag-Ge-Te +mp-1224417,Ge2Bi2Te5,-4.0242216778,-0.3971590737,0.0204345567,0.0204345567,GGA,R3m,A2B2C5_hR27_160_2a_2a_5a:Bi-Ge-Te,9.0,A2B2C5_hR27_160_2a_2a_5a:Bi-Ge-Te +mp-1206551,Ge2Bi2Te5,-4.02898468,-0.4019220759,0.0156715544,0.0156715544,GGA,P-3m1,A2B2C5_hP9_164_c_d_a2d:Bi-Ge-Te,9.0,A2B2C5_hP9_164_c_d_a2d:Bi-Ge-Te +mp-29644,GeBi4Te7,-3.969234815,-0.470224346,0.0045564017,0.0045564017,GGA,P-3m1,A4BC7_hP12_164_2d_a_bc2d:Bi-Ge-Te,12.0,"Invalid WP multiplicities - A4BC7_hP12_164_3d_a_bc3d:Bi-Ge-Te, expected Ge(Bi2Te3)3 to be GeBi4Te7" +mp-1229030,AgGeBiTe3,-3.7710181783,-0.3166864003,0.0471390358,0.0471390358,GGA,Imm2,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Ge-Te,6.0,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Ge-Te +mp-540687,Ge3(BiTe3)2,-4.0470064527,-0.3733794359,0.0234188791,0.0234188791,GGA,R3m,A2B3C6_hR33_160_2a_3a_6a:Bi-Ge-Te,11.0,A2B3C6_hR33_160_2a_3a_6a:Bi-Ge-Te +mp-1209380,Rb3FeCl5,-4.1919062367,-1.8969832669,0.0001130717,0.0001130717,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Cl-Fe-Rb,18.0,A5BC3_tI36_140_cl_b_ah:Cl-Fe-Rb +mp-504968,RbFeCl4,-4.4568991496,-1.6494488292,0.0,-0.1247009757,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Fe-Rb,24.0,A4BC_oP24_62_2cd_c_c:Cl-Fe-Rb +mp-1219783,Rb4FeSbCl12,-3.849374635,-1.6991747094,0.0228830268,0.0228830268,GGA,P4/mmm,A12BC4D_tP18_123_ghjk_a_i_d:Cl-Fe-Rb-Sb,18.0,"Invalid WP multiplicities - A12BC4D_tP18_123_2g2h4j4k_a_i_d:Cl-Fe-Rb-Sb, expected Rb4FeSbCl40 to be Rb4FeSbCl12" +mp-1206560,RbFeCl3,-4.5150085220000005,-1.5157754695,0.103099929,0.103099929,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Fe-Rb,10.0,A3BC_hP10_194_h_a_c:Cl-Fe-Rb +mp-1206518,RbFeCl3,-4.547405426,-1.5481723735,0.070703025,0.070703025,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Fe-Rb,5.0,A3BC_cP5_221_c_b_a:Cl-Fe-Rb +mp-1080469,HfCuGe2,-6.2312406,-0.4056277475,0.0,-0.02175459,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Ge-Hf,8.0,AB2C_tP8_129_a_bc_c:Cu-Ge-Hf +mp-1095504,HfCuGe,-6.7191424783,-0.49266796,0.0191629167,-0.0355908371,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Ge-Hf,12.0,ABC_oP12_62_c_c_c:Cu-Ge-Hf +mp-1077453,HfCuGe,-6.738305395,-0.5118308767,0.0,-0.0547537538,GGA,I4/mmm,ABC_tI12_139_c_e_e:Cu-Ge-Hf,6.0,ABC_tI12_139_c_e_e:Cu-Ge-Hf +mp-17801,Hf2CuGe4,-6.4456641943,-0.3734218871,0.0607497307,0.0607497307,GGA,Cmcm,AB4C2_oC28_63_c_4c_2c:Cu-Ge-Hf,14.0,AB4C2_oC28_63_c_4c_2c:Cu-Ge-Hf +mp-10379,Hf3(Cu2Ge)2,-6.6031727722,-0.4349006078,0.0,-0.0237444096,GGA,P-62m,A4B2C3_hP9_189_ag_d_f:Cu-Ge-Hf,9.0,A4B2C3_hP9_189_ag_d_f:Cu-Ge-Hf +mp-1080723,HfCuGeAs,-6.337108495,-0.502473005,0.0,-0.0017995065,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Hf,8.0,ABCD_tP8_129_c_a_b_c:As-Cu-Ge-Hf +mp-9845,RbCaAs,-3.392463075,-0.8440456225,0.0,-0.083213609,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Ca-Rb,6.0,ABC_tP6_129_c_a_c:As-Ca-Rb +mp-975359,Rb(FeAs)2,-5.716922266,-0.2691596055,0.0,-0.0186521967,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Fe-Rb,5.0,A2B2C_tI10_139_e_d_a:As-Fe-Rb +mp-1078332,RbCa(FeAs)4,-5.942013231,-0.3917439898,0.010208658,0.010208658,GGA,P4/mmm,A4BC4D_tP10_123_gh_a_i_d:As-Ca-Fe-Rb,10.0,A4BC4D_tP10_123_gh_a_i_d:As-Ca-Fe-Rb +mp-1209510,Rb2CaAs2,-2.250973944,0.406007023,1.0816580992,1.0816580992,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Ca-Rb,5.0,A2BC2_tP5_123_g_a_g:As-Ca-Rb +mp-1213649,CsHoMnSe3,-5.7544209692,-1.5664941413,0.0,-0.0793434758,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cs-Ho-Mn-Se,12.0,ABCD3_oC24_63_c_a_c_cf:Cs-Ho-Mn-Se +mp-1113182,Cs2CuMoCl6,-4.347080103,-1.5643919546,0.102694435,0.102694435,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Mo +mp-568397,CuMo3Cl7,-5.7523235526,-1.2454223144,0.0,-0.0205936917,GGA,Pn-3,A7BC3_cP88_201_e2h_e_h:Cl-Cu-Mo,88.0,"Invalid WP multiplicities - A7BC3_cP88_201_7e24h_e_h:Cl-Cu-Mo, expected CuMo3Cl79 to be CuMo3Cl7" +mp-1111729,Rb2InAgBr6,-3.175493008,-1.4891452222,0.0305179461,0.0305179461,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-Rb +mp-1179168,SrCrCu3Se4,-4.86726977,-0.6868467873,0.2060893217,0.2060893217,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:Cr-Cu-Se-Sr,9.0,AB3C4D_cP9_215_b_c_e_a:Cr-Cu-Se-Sr +mp-10409,Ba4Nd2Cd3Se10,-4.6847303561,-1.7931525307,0.0082176807,0.0082176807,GGA,Cmc2_1,A4B3C2D10_oC76_36_4a_3a_2a_10a:Ba-Cd-Nd-Se,38.0,A4B3C2D10_oC76_36_4a_3a_2a_10a:Ba-Cd-Nd-Se +mp-36821,Nd2CdSe4,-5.1887805121,-1.6969475785,0.0935508305,0.0935508305,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Nd-Se,14.0,AB2C4_tI28_122_a_d_e:Cd-Nd-Se +mp-1200386,Mo15Pb2Se19,-7.3072313039,-0.7368878632,0.0512628206,0.0512628206,GGA,R-3c,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Pb-Se,72.0,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Pb-Se +mp-1182611,Mo6PbSe8,-6.571762278,-0.1215063079,0.6761165013,0.6761165013,GGA,P-1,A6BC8_aP15_2_3i_a_4i:Mo-Pb-Se,15.0,"Invalid WP multiplicities - A6BC8_aP15_2_6i_a_7i:Mo-Pb-Se, expected Mo12PbSe14 to be Mo6PbSe8" +mp-22721,Mo6PbSe8,-7.2069918367,-0.7567358666,0.0408869427,0.0408869427,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Pb-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Pb-Se +mp-1224355,Mo15Pb3Se19,-7.2212463922,-0.7281379885,0.0417302778,0.0417302778,GGA,P2_1/m,A15B3C19_mP74_11_3e6f_ef_3e8f:Mo-Pb-Se,74.0,"Invalid WP multiplicities - A15B3C19_mP74_11_6e24f_ef_6e26f:Mo-Pb-Se, expected Mo54Pb3Se58 to be Mo15Pb3Se19" +mp-1223020,LaMo12PbSe16,-7.3697755503,-0.8787409124000001,0.0338546565,0.0338546565,GGA,R-3,AB12CD16_hR90_148_a_2f_b_2c2f:La-Mo-Pb-Se,30.0,"Invalid WP multiplicities - AB12CD16_hR90_148_a_11f_b_3c11f:La-Mo-Pb-Se, expected LaMo66PbSe72 to be LaMo12PbSe16" +mp-1222542,LiIn2CuTe4,-3.6655770238,-0.6549869525,0.005066375,0.005066375,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Cu-In-Li-Te,8.0,AB2CD4_tI16_82_a_bc_d_g:Cu-In-Li-Te +mp-20782,LiInTe2,-3.5757726537,-0.8389680579000001,0.0,-0.0488284119,GGA,I-42d,ABC2_tI16_122_a_b_d:In-Li-Te,8.0,ABC2_tI16_122_a_b_d:In-Li-Te +mp-1096354,Ta2FeRe,-6.67181496,4.4857109537,4.6886952106,4.6886952106,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Re-Ta,4.0,ABC2_oI8_71_a_b_e:Fe-Re-Ta +mp-1218144,Ta2Fe(ReSe4)2,-7.1533951208,-0.6117087622,0.2409078742,0.2409078742,GGA,P3m1,AB2C8D2_hP13_156_a_2a_4b4c_2a:Fe-Re-Se-Ta,13.0,AB2C8D2_hP13_156_a_2a_4b4c_2a:Fe-Re-Se-Ta +mp-37829,La5TlSe8,-6.0612913007,-2.1320076941,0.0,-0.0178526656,GGA,I-4,A5B8C_tI28_82_ag_2g_c:La-Se-Tl,14.0,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_4g_c:La-Se-Tl, expected La9TlSe16 to be La5TlSe8" +mp-14242,Tl2GeSe3,-3.9199815658,-0.6139734689,0.0,-0.0050306289,GGA,P-1,AB3C2_aP12_2_i_3i_2i:Ge-Se-Tl,12.0,AB3C2_aP12_2_i_3i_2i:Ge-Se-Tl +mp-540818,Tl2Ge2Se5,-4.1071430828,-0.6125987059,0.0,-0.0101755882,GGA,C2/c,A2B5C2_mC72_15_2f_2e4f_2f:Ge-Se-Tl,36.0,A2B5C2_mC72_15_2f_2e4f_2f:Ge-Se-Tl +mp-1196396,Tl4GeSe4,-3.7227587911,-0.6052869742,0.0,-0.0394065752,GGA,C2/c,AB4C4_mC72_15_f_4f_ae3f:Ge-Se-Tl,36.0,AB4C4_mC72_15_f_4f_ae3f:Ge-Se-Tl +mp-684022,LaTlGeSe4,-4.9451279652,-1.2443673913,0.0002346477,-0.0242116841,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Ge-La-Se-Tl,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_27c_c:Ge-La-Se-Tl, expected LaTlGeSe27 to be LaTlGeSe4" +mp-1204033,LaTlGeSe4,-4.9453626129,-1.244602039,0.0,-0.0244463317,GGA,Pbca,ABC4D_oP56_61_c_c_4c_c:Ge-La-Se-Tl,56.0,ABC4D_oP56_61_c_c_4c_c:Ge-La-Se-Tl +mp-1200195,ScMnGe2,-6.7196403142,-0.5345052874,0.0,-0.012412495,GGA,Pbam,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Sc,48.0,A2BC_oP48_55_2g2hi_ei_gi:Ge-Mn-Sc +mp-1219367,ScMn6GaGe5,-7.0393888431,-0.3126352927,0.0005485232,0.0005485232,GGA,P-6m2,AB5C6D_hP13_187_b_acdi_n_e:Ga-Ge-Mn-Sc,13.0,AB5C6D_hP13_187_b_acdi_n_e:Ga-Ge-Mn-Sc +mp-999249,Sc2MnGe,-6.7988598225,-0.1863644832,0.4116544802,0.4116544802,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ge-Mn-Sc,4.0,ABC2_cF16_216_a_c_bd:Ge-Mn-Sc +mp-999258,Sc2MnGe,-6.9248107425,-0.3123154032,0.2857035602,0.2857035602,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mn-Sc,4.0,ABC2_cF16_225_a_b_c:Ge-Mn-Sc +mp-1212513,Sc7(Mn3Ge4)2,-7.0286211967,-0.5389260382000001,0.0485146785,0.0485146785,GGA,I4/mmm,A8B6C7_tI84_139_deim_hn_ehn:Ge-Mn-Sc,42.0,A8B6C7_tI84_139_deim_hn_ehn:Ge-Mn-Sc +mp-1219700,Sc2Mn12GaGe11,-7.1105399427,-0.3224428603,0.0,-0.0049255388,GGA,P-6m2,AB11C12D2_hP26_187_a_bcdgh2i_2n_i:Ga-Ge-Mn-Sc,26.0,"Invalid WP multiplicities - AB11C12D2_hP26_187_a_bcdgh4i_12n_i:Ga-Ge-Mn-Sc, expected Sc2Mn72GaGe15 to be Sc2Mn12GaGe11" +mp-30652,Sc3(MnGa3)2,-5.5086220209,-0.4640752905,0.0003116573,0.0003116573,GGA,Pnma,A6B2C3_oP44_62_2c2d_2c_cd:Ga-Mn-Sc,44.0,A6B2C3_oP44_62_2c2d_2c_cd:Ga-Mn-Sc +mp-19936,Sc(MnGe)6,-7.1718399646,-0.3223993502,0.0,-0.0731195437,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Sc,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_cd2e_i_a:Ge-Mn-Sc, expected Sc(Mn3Ge4)2 to be Sc(MnGe)6" +mp-1079729,ScMnGe,-7.2743676556,-0.5685302382,0.0,-0.0166666865,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Mn-Sc,9.0,ABC_hP9_189_ad_g_f:Ge-Mn-Sc +mp-14474,Ta2PtSe7,-6.3773908695,-0.9515839771,0.0059381791,0.0059381791,GGA,C2/m,AB7C2_mC40_12_i_7i_2i:Pt-Se-Ta,20.0,AB7C2_mC40_12_i_7i_2i:Pt-Se-Ta +mp-4425,Ta2Pt3Se8,-6.3012223792,-0.9245879914,0.0,-0.0479345973,GGA,Pbam,A3B8C2_oP26_55_ag_2g2h_h:Pt-Se-Ta,26.0,"Invalid WP multiplicities - A3B8C2_oP26_55_ag_3g2h_h:Pt-Se-Ta, expected Ta2Pt3Se10 to be Ta2Pt3Se8" +mp-1217952,Ta12Co3Pt3Se32,-6.8961813922,-1.0221643484,0.0,-0.0237274354,GGA,Cm,A3B3C32D12_mC100_8_3a_3a_32a_12a:Co-Pt-Se-Ta,50.0,A3B3C32D12_mC100_8_3a_3a_32a_12a:Co-Pt-Se-Ta +mp-1096398,Zr2FeCo,-5.00379625,3.1646388163,3.43930189,3.43930189,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Fe-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Fe-Zr +mp-1095734,ZrGaCo2,-3.9789068875,2.4692011731,2.9111723725000003,2.8843534388,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Ga-Zr,4.0,A2BC_oI8_71_e_a_b:Co-Ga-Zr +mp-1188052,ZrGaCo2,-6.89007926,-0.4419711994,0.0,-0.0268189337,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Zr +mp-1215554,Zr2FeCo3,-8.1206798517,-0.3056172092,0.0,-0.0019020646,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Fe-Zr,6.0,A3BC2_hR18_166_d_a_c:Co-Fe-Zr +mp-1215402,ZrGa6(FeCo)3,-5.9533516569,-0.3032521354,0.0298201835,0.0298201835,GGA,P-1,A3B3C6D_aP13_2_bi_cef_3i_a:Co-Fe-Ga-Zr,13.0,A3B3C6D_aP13_2_bi_cef_3i_a:Co-Fe-Ga-Zr +mp-22167,Zr6Ga2Co,-7.5712171656,-0.4100267633,0.0,-0.012548505,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Co-Ga-Zr,9.0,AB2C6_hP9_189_a_d_fg:Co-Ga-Zr +mp-1079246,ZrGaCo,-6.7815745033,-0.5535363542,0.0,-0.050085435,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Ga-Zr,9.0,ABC_hP9_189_ad_g_f:Co-Ga-Zr +mp-1216010,ZrGa6Fe5Co,-5.9142205469,-0.0546281923,0.2612123922,0.2612123922,GGA,Imm2,AB5C6D_oI26_44_a_a2bc_ce_a:Co-Fe-Ga-Zr,13.0,AB5C6D_oI26_44_a_a2bc_ce_a:Co-Fe-Ga-Zr +mp-1215368,Zr4FeCo,-8.493354185,-0.1984972642,0.0127100107,0.0127100107,GGA,I422,ABC4_tI12_97_a_b_j:Co-Fe-Zr,6.0,ABC4_tI12_97_a_b_j:Co-Fe-Zr +mp-1215817,Zr2GaCo3,-7.3351878183,-0.4271127071,0.0053516625,0.0053516625,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ga-Zr,12.0,A3BC2_hP12_194_h_a_f:Co-Ga-Zr +mp-1215271,ZrFeCo,-8.3321649833,-0.2901517717,0.0071541756,0.0071541756,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-Zr,6.0,ABC_oI12_74_a_c_e:Co-Fe-Zr +mp-1102059,Zr2GaFe3,-7.973194085,-0.3842672662,0.0,-0.02464524,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Ga-Zr,12.0,A3BC2_hP12_194_h_a_f:Fe-Ga-Zr +mp-1025355,ZrGa5Co,-4.8185233014,-0.4190235104,0.0,-0.0170550623,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Zr,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Zr +mp-1201034,ZrGa2Co,-5.9665083718,-0.5384557543,0.0,-0.0437687693,GGA,I4mm,AB2C_tI80_107_bcd_c2de_2acd:Co-Ga-Zr,40.0,AB2C_tI80_107_bcd_c2de_2acd:Co-Ga-Zr +mp-1215780,Zr(GaCo)6,-5.4359246662,-0.1000643942,0.2460031957,0.2460031957,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Co-Ga-Zr,13.0,A6B6C_oI26_71_efg_hk_a:Co-Ga-Zr +mp-1216204,Zr2Ga3Co,-6.0510287378,-0.5030275507,0.0710073941,0.0710073941,GGA,P1,AB3C2_aP18_1_3a_9a_6a:Co-Ga-Zr,18.0,AB3C2_aP18_1_3a_9a_6a:Co-Ga-Zr +mp-1215776,Zr2Ga3Co,-6.0665121533,-0.5185109663,0.0555239785,0.0555239785,GGA,Cm,AB3C2_mC12_8_a_3a_2a:Co-Ga-Zr,6.0,AB3C2_mC12_8_a_3a_2a:Co-Ga-Zr +mp-1215361,ZrGa6FeCo5,-5.5097101638,-0.0691034754,0.2812005779,0.2812005779,GGA,Imm2,A5BC6D_oI26_44_2abc_b_ce_a:Co-Fe-Ga-Zr,13.0,A5BC6D_oI26_44_2abc_b_ce_a:Co-Fe-Ga-Zr +mp-1080526,Zr6Ga2Fe,-7.6809642233,-0.3684734417,0.0,-0.0106735653,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Ga-Zr,9.0,AB2C6_hP9_189_a_d_fg:Fe-Ga-Zr +mp-1103910,Zr(GaFe)6,-6.2715634885,-0.3072247173,0.0,-0.0482921647,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Zr,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Zr +mp-1192816,Cs3SbSe3,-3.6410234111,-1.1691744412,0.0,-0.0828775527,GGA,P2_13,A3BC3_cP28_198_3a_a_b:Cs-Sb-Se,28.0,A3BC3_cP28_198_3a_a_b:Cs-Sb-Se +mp-2969,CsSbSe2,-3.9460644694,-0.9420078275,0.0,-0.0107949651,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cs-Sb-Se,16.0,ABC2_mP16_14_e_e_2e:Cs-Sb-Se +mp-1226687,Cs3Sb5Se9,-4.0564296603,-0.8332286829000001,0.0,-0.0098262657,GGA,C2/m,A3B5C9_mC68_12_gj_ghij_h2i3j:Cs-Sb-Se,34.0,A3B5C9_mC68_12_gj_ghij_h2i3j:Cs-Sb-Se +mp-3312,Cs(SbSe2)2,-4.0834957807,-0.7782028146000001,0.0,-0.006632098,GGA,P-1,AB2C4_aP14_2_i_2i_4i:Cs-Sb-Se,14.0,AB2C4_aP14_2_i_2i_4i:Cs-Sb-Se +mp-1192085,Cs2Cu2Sb2Se5,-4.0097089536,-0.7618200489,0.0,-0.0035482502,GGA,P-1,A2B2C2D5_aP22_2_2i_2i_2i_5i:Cs-Cu-Sb-Se,22.0,A2B2C2D5_aP22_2_2i_2i_2i_5i:Cs-Cu-Sb-Se +mp-17811,Cs3SbSe4,-3.7259041816,-1.1260473982,0.0,-0.034187575,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Cs-Sb-Se,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_c2d_c_5cd:Cs-Sb-Se, expected Cs5SbSe7 to be Cs3SbSe4" +mp-1224081,In2CuSe3Br,-3.8634051186,-0.7714998481,0.0498288756,0.0498288756,GGA,P1,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Se,7.0,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Se +mp-1215162,Al119Cr16Fe13,-4.8953651451,-0.0961586652,0.1037974256,0.1037974256,GGA,Cm,A119B16C13_mC296_8_27a46b_10a3b_9a2b:Al-Cr-Fe,148.0,A119B16C13_mC296_8_27a46b_10a3b_9a2b:Al-Cr-Fe +mp-1228905,Al2FeCo,-6.2397669425,-0.4723942763,0.0019334175,-0.003212505,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Co-Fe,4.0,A2BC_tP4_123_h_a_b:Al-Co-Fe +mp-862691,Al2FeCo,-6.24170036,-0.4743276938,0.0,-0.0051459225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Co-Fe,4.0,A2BC_cF16_225_c_a_b:Al-Co-Fe +mp-10883,AlCrCo2,-7.15195418,-0.2481394575,0.0575988063,0.0575988063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Cr,4.0,AB2C_cF16_225_a_c_b:Al-Co-Cr +mp-1228949,Al2CrFeCo4,-7.0605427425,-0.3046063025,0.0339358731,0.0339358731,GGA,R-3m,A2B4CD_hR24_166_c_2c_a_b:Al-Co-Cr-Fe,8.0,"Invalid WP multiplicities - A2B4CD_hR24_166_c_3c_a_b:Al-Co-Cr-Fe, expected Al2CrFeCo6 to be Al2CrFeCo4" +mp-1096119,Al2CrFe,-3.932443175,2.47111191,2.7214215608,2.7214215608,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Cr-Fe,4.0,A2BC_oI8_71_e_a_b:Al-Cr-Fe +mp-10884,AlFeCo2,-6.979404245,-0.3713460875,0.0,-0.03164603,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Fe,4.0,AB2C_cF16_225_a_c_b:Al-Co-Fe +mp-1228937,AlCrFe2,-7.5933388025,-0.0086723725,0.1724959687,0.1724959687,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Al-Cr-Fe,4.0,ABC2_oC8_35_a_b_ab:Al-Cr-Fe +mp-1228906,AlCrFe2,-7.74169561,-0.15702918,0.0241391612,0.0241391612,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Cr-Fe,4.0,ABC2_tP4_123_a_b_h:Al-Cr-Fe +mp-16495,AlCrFe2,-7.748882365,-0.164215935,0.0169524062,0.0169524062,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cr-Fe,4.0,ABC2_cF16_225_a_b_c:Al-Cr-Fe +mp-1207292,Dy2(SiIr)3,-5.812627715,0.6879760738,1.7707099466,1.7707099466,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Dy-Ir-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Dy-Ir-Si +mp-1225385,Dy5Sc5(Si5Ir2)4,-7.0152968129,-0.8597675033000001,0.0143636668,0.0143636668,GGA,Amm2,A5B8C5D20_oC76_38_ade_4e_3ad_2b4d5e:Dy-Ir-Sc-Si,38.0,"Invalid WP multiplicities - A5B8C5D20_oC76_38_ade_8e_3ad_2b8d9e:Dy-Ir-Sc-Si, expected Dy5Sc5(Si9Ir4)4 to be Dy5Sc5(Si5Ir2)4" +mp-1070146,DySi3Ir,-6.728773654,-0.7845386320000001,0.0,-0.0605205198,GGA,I4mm,ABC3_tI10_107_a_a_ab:Dy-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Dy-Ir-Si +mp-1213190,Dy2Sc3Si4,-6.3475618547,-0.8017559531,0.0,-0.0308871122,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Dy-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Dy-Sc-Si +mp-1079089,Dy(SiIr)2,-7.691204279,-1.064346027,0.028524159,-0.159645819,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Dy-Ir-Si,10.0,AB2C2_tP10_129_c_ac_bc:Dy-Ir-Si +mp-4065,Dy(SiIr)2,-7.719728438,-1.092870186,0.0,-0.188169978,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Ir-Si +mp-1198889,Dy5(Si5Ir2)2,-6.7840549292,-0.8555890755000001,0.0118040024,0.0118040024,GGA,P4/mbm,A5B4C10_tP38_127_a2h_i_gij:Dy-Ir-Si,38.0,A5B4C10_tP38_127_a2h_i_gij:Dy-Ir-Si +mp-20281,DySiIr,-7.3560197008,-1.0658400175,0.0,-0.0763355638,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ir-Si,12.0,ABC_oP12_62_c_c_c:Dy-Ir-Si +mp-1225781,DyScSi,-5.871179475,-0.4163214833,0.2119673363,0.2119673363,GGA,Amm2,ABC_oC36_38_abde_df_abce:Dy-Sc-Si,18.0,ABC_oC36_38_abde_df_abce:Dy-Sc-Si +mp-22300,FeCo2Ge,-6.99859555,-0.1711743862,0.0,-0.0284984631,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Fe-Ge,4.0,A2BC_cF16_225_c_a_b:Co-Fe-Ge +mp-1025047,FeCoGe,-6.8472648583,-0.113475905,0.0510313321,0.0510313321,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Co-Fe-Ge,6.0,ABC_hP6_194_c_a_d:Co-Fe-Ge +mp-1206973,FeCoGe,-6.6984780483,0.035310905,0.1998181421,0.1998181421,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Fe-Ge,6.0,ABC_hP6_194_a_c_d:Co-Fe-Ge +mp-1104097,Ti(CoGe)6,-6.3155283892,-0.2937156264,0.0169103333,0.0169103333,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Ti,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Ti +mp-4612,TiCo2Ge,-7.196220145,-0.5124312796,0.0,-0.06356506,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Ge-Ti +mp-1217400,Ti2Co3Ge,-7.2327128383,-0.2762186261,0.198908915,0.198908915,GGA,P3m1,A3BC2_hP6_156_d_a_bc:Co-Ge-Ti,6.0,A3BC2_hP6_156_d_a_bc:Co-Ge-Ti +mp-1199430,TiFeGe2,-6.8242215296,-0.4213292954,0.0,-0.0153284583,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Ti,48.0,AB2C_oP48_55_ei_2g2hi_gi:Fe-Ge-Ti +mp-30044,Fe2CoGe,-7.18274652,-0.0148995025,0.1231472237,0.1231472237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Fe-Ge,4.0,AB2C_cF16_225_a_c_b:Co-Fe-Ge +mp-999067,Ti2CoGe,-7.1564458175,-0.2758633967,0.3014262462,0.3014262462,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-Ge-Ti,4.0,ABC2_cF16_216_a_c_bd:Co-Ge-Ti +mp-866375,TiFe2Ge,-7.844281295,-0.4796407221,0.0,-0.073639885,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ge-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Ge-Ti +mp-1018012,TiFeCoGe,-7.4921320825,-0.4679173633,0.0281186375,0.0281186375,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-Ti,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-Ti +mp-1208302,Ti6Co16Ge7,-7.055932651,-0.3846487957,0.054936712,0.054936712,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Co-Ge-Ti +mp-1188792,Ti4Co7Ge6,-6.9273455994,-0.5109714958,0.0,-0.0235983339,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Co-Ge-Ti,17.0,A7B6C4_cI34_229_ad_e_c:Co-Ge-Ti +mp-22130,Ti(FeGe)6,-6.8585734362,-0.2082821741,0.0148908884,0.0148908884,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Ti,13.0,A6B6C_hP13_191_i_cde_a:Fe-Ge-Ti +mp-1225391,Fe3Co3Ge2,-7.03675198,-0.0391178894,0.1154926669,0.1154926669,GGA,R3m,A3B3C2_hR24_160_3a_3a_2a:Co-Fe-Ge,8.0,A3B3C2_hR24_160_3a_3a_2a:Co-Fe-Ge +mp-1208403,TiFeGe,-7.53751481,-0.5413344494,0.0,-0.0125201024,GGA,Ima2,ABC_oI36_46_ac_bc_3b:Fe-Ge-Ti,18.0,ABC_oI36_46_ac_bc_3b:Fe-Ge-Ti +mp-1201705,TiCoGe2,-6.5355414042,-0.4730750238,0.0066650133,0.0066650133,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Co-Ge-Ti,48.0,AB2C_oP48_55_ei_2g2hi_gi:Co-Ge-Ti +mp-1194438,Ti4Co4Ge7,-6.670151655,-0.5117227062,0.0,-0.014055015,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Ti,30.0,A4B7C4_tI60_139_k_ehij_hi:Co-Ge-Ti +mp-22769,TiCoGe,-7.1383175833,-0.5960383611,0.0,-0.0344498704,GGA,P-62m,ABC_hP9_189_f_bc_g:Co-Ge-Ti,9.0,ABC_hP9_189_f_bc_g:Co-Ge-Ti +mp-1096394,LiMgPt2,-2.438495935,1.4743714542,2.1338869987,2.1338869987,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Li-Mg-Pt +mp-11806,LiMgSnPt,-4.0634429025,-0.6659658796,0.0,-0.0497010535,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Li-Mg-Pt-Sn,4.0,ABCD_cF16_216_a_c_b_d:Li-Mg-Pt-Sn +mp-1211411,Li3Sn3Pt2,-4.2959547584,-0.5587359078,0.0161989164,0.0161989164,GGA,Ia-3,A3B2C3_cI128_206_acd_bd_e:Li-Pt-Sn,64.0,A3B2C3_cI128_206_acd_bd_e:Li-Pt-Sn +mp-1222607,Li2SnPt,-4.1267422175,-0.6521044904000001,0.0,-0.1148701893,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pt-Sn,4.0,A2BC_cF16_216_ac_b_d:Li-Pt-Sn +mp-866202,Li2SnPt,-3.9798360625,-0.5051983354,0.146906155,0.0320359657,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Pt-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Pt-Sn +mp-864614,LiMg2Pt,-3.42367276,-0.6285186883,0.0,-0.0972492158,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Pt,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Pt +mp-1093588,MgSnPt2,-3.094952115,1.3430775213,1.9850041463,1.9850041463,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pt-Sn,4.0,AB2C_oI8_71_a_e_b:Mg-Pt-Sn +mp-1222154,Mg4Sn6Pt5,-4.7063385367,-0.6520573413,0.0,-0.1001996707,GGA,R3m,A4B5C6_hR45_160_4a_5a_6a:Mg-Pt-Sn,15.0,A4B5C6_hR45_160_4a_5a_6a:Mg-Pt-Sn +mp-1097313,LiSnPt2,-3.0363514375,1.4788389029,2.068693075,2.068693075,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pt-Sn,4.0,AB2C_oI8_71_a_e_b:Li-Pt-Sn +mp-1185434,LiSnPt2,-5.1036848625,-0.5884945221,0.00135965,0.00135965,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pt-Sn,4.0,AB2C_cF16_225_a_c_b:Li-Pt-Sn +mp-574472,CsCeHgSe3,-4.389581145,-1.4529300908,0.0,-0.0714064879,GGA,Cmcm,ABCD3_oC24_63_a_c_c_cf:Ce-Cs-Hg-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_a_c_c_2c2f:Ce-Cs-Hg-Se, expected CsCeHgSe6 to be CsCeHgSe3" +mp-570921,CsLu(NbCl3)6,-5.7315937367,-1.9124459286,0.0,-0.0119446659,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Lu-Nb,52.0,"Invalid WP multiplicities - A18BCD6_hP52_163_27i_c_d_i:Cl-Cs-Lu-Nb, expected CsLu(NbCl27)6 to be CsLu(NbCl3)6" +mp-29339,Lu(NbCl3)6,-5.8132498888,-1.8771522632,0.0,-0.0257851908,GGA,R-3,A18BC6_hR75_148_3f_a_f:Cl-Lu-Nb,25.0,"Invalid WP multiplicities - A18BC6_hR75_148_5f_a_f:Cl-Lu-Nb, expected Lu(NbCl5)6 to be Lu(NbCl3)6" +mp-1111885,Cs2NdCuBr6,-3.891000935,-1.8933680523,0.0249811178,0.0249811178,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Nd +mp-1111538,Na2AgSbCl6,-3.45093048,-1.381147701,0.141184699,0.141184699,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Na-Sb +mp-7392,Na2AgSb,-2.8118763413,-0.4102243837,0.0,-0.0673814234,GGA,Cmcm,AB2C_oC16_63_a_g_c:Ag-Na-Sb,8.0,AB2C_oC16_63_a_g_c:Ag-Na-Sb +mp-1113575,Cs2AgAuBr6,-2.978646814,-1.2571055413,0.0247430955,0.0247430955,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Cs +mp-23047,Ho6MnBi2,-5.3418858833,-0.4155029087,0.0,-0.0099896056,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Ho-Mn,9.0,"Invalid WP multiplicities - A2B6C_hP9_189_c_2f2g_b:Bi-Ho-Mn, expected Ho12MnBi2 to be Ho6MnBi2" +mp-1224001,Ho3Er3MnBi2,-5.3284948867,-0.4070085987,0.0155203211,0.0090226389,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:Bi-Er-Ho-Mn,9.0,A2B3C3D_hP9_189_c_g_f_b:Bi-Er-Ho-Mn +mp-1224021,Ho3Er3MnBi2,-5.3440152078,-0.4225289198,0.0,-0.0064976822,GGA,P-62m,A2B3C3D_hP9_189_c_f_g_b:Bi-Er-Ho-Mn,9.0,A2B3C3D_hP9_189_c_f_g_b:Bi-Er-Ho-Mn +mp-23039,Er6MnBi2,-5.3331491678,-0.4165595664,0.0,-0.0227878301,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Bi-Er-Mn,9.0,"Invalid WP multiplicities - A2B6C_hP9_189_c_2f2g_b:Bi-Er-Mn, expected Er12MnBi2 to be Er6MnBi2" +mp-1223940,Ho9Er3(MnBi2)2,-5.3328045511,-0.4088699198,0.0101459944,0.0101459944,GGA,Pm,A4B3C9D2_mP18_6_4b_3a_3a6b_2a:Bi-Er-Ho-Mn,18.0,A4B3C9D2_mP18_6_4b_3a_3a6b_2a:Bi-Er-Ho-Mn +mp-1224196,Ho3Er9(MnBi2)2,-5.3277164472,-0.4086785025,0.0108657406,0.0108657406,GGA,Pm,A4B9C3D2_mP18_6_4a_3a6b_3a_2b:Bi-Er-Ho-Mn,18.0,A4B9C3D2_mP18_6_4a_3a6b_3a_2b:Bi-Er-Ho-Mn +mp-680472,NaMo6Br13,-5.498273724,-1.1689840118,0.011536437,0.011536437,GGA,P-1,A13B6C_aP40_2_13i_6i_i:Br-Mo-Na,40.0,"Invalid WP multiplicities - A13B6C_aP40_2_25i_9i_i:Br-Mo-Na, expected NaMo9Br25 to be NaMo6Br13" +mp-1110703,Rb2NaMoBr6,-3.948953993,-1.6042126402,0.0455889605,0.0455889605,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Mo-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Mo-Na-Rb +mp-1113384,Rb2GaHgBr6,-2.894548667,-1.4334472158,0.1078340745,0.1078340745,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-Rb +mp-1113287,Rb2CuAuCl6,-3.429266205,-1.3867285275,0.0438846236,0.0438846236,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-Rb +mp-1198737,CsTc3(Se2Br)2,-6.0445565325,-1.1378543547,0.0,-0.5017708693,GGA,P2_1/c,A2BC4D3_mP40_14_2e_e_4e_3e:Br-Cs-Se-Tc,40.0,A2BC4D3_mP40_14_2e_e_4e_3e:Br-Cs-Se-Tc +mp-1181613,Cu3NiPbSe4,-4.3171864689,-0.342292061,0.1333917331,0.1333917331,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ni-Pb-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ni-Pb-Se +mp-19747,Ni3(PbSe)2,-4.9133123529,-0.3765227621,0.0787004814,0.0787004814,GGA,R-3m,A3B2C2_hR21_166_d_ab_c:Ni-Pb-Se,7.0,A3B2C2_hR21_166_d_ab_c:Ni-Pb-Se +mp-569675,Tl2Hg2PdCl8,-3.04859964,-1.1023825544,0.0,-0.0006638081,GGA,C2/m,A8B2CD2_mC26_12_2ij_i_a_i:Cl-Hg-Pd-Tl,13.0,"Invalid WP multiplicities - A8B2CD2_mC26_12_4i3j_i_a_i:Cl-Hg-Pd-Tl, expected Tl2Hg2PdCl20 to be Tl2Hg2PdCl8" +mp-29460,Tl3PdCl5,-3.58572285,-1.1956679,0.0166666444,0.0166666444,GGA,Pbca,A5BC3_oP72_61_5c_c_3c:Cl-Pd-Tl,72.0,A5BC3_oP72_61_5c_c_3c:Cl-Pd-Tl +mp-29889,Tl2PdCl4,-3.6517601943,-1.1804295167,0.0,-0.026709364,GGA,P4/mmm,A4BC2_tP7_123_j_a_e:Cl-Pd-Tl,7.0,A4BC2_tP7_123_j_a_e:Cl-Pd-Tl +mp-574580,Tl4Pd3Cl10,-3.6666922212,-1.1093048908,0.019906995,0.019906995,GGA,I-42d,A10B3C4_tI136_122_2d4e_de_cde:Cl-Pd-Tl,68.0,"Invalid WP multiplicities - A10B3C4_tI136_122_8d28e_3d3e_3c3d3e:Cl-Pd-Tl, expected Tl12Pd9Cl64 to be Tl4Pd3Cl10" +mp-12487,CsDyCdTe3,-3.9361726225,-1.2936731805,0.0,-0.0539151471,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Dy-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Dy-Te +mp-1104560,Dy2CdTe4,-4.596158105,-1.3519171031,0.0261755464,0.0261755464,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Dy-Te,14.0,AB2C4_cF56_227_a_d_e:Cd-Dy-Te +mp-567414,BiAuCl6,-3.3887271819,-1.1130282956,0.0,-0.0508535028,GGA,P-1,ABC6_aP32_2_bei_2i_12i:Au-Bi-Cl,32.0,"Invalid WP multiplicities - ABC6_aP32_2_be2i_4i_21i:Au-Bi-Cl, expected Bi4(AuCl7)3 to be BiAuCl6" +mp-1111719,Rb2BiAuCl6,-3.566251022,-1.5495850985,0.0390083281,0.0390083281,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-Rb +mp-1193453,Te7IrBr7,-3.3842489013,-0.6033973184,0.0493486968,0.0493486968,GGA,P-1,A7BC7_aP30_2_7i_i_7i:Br-Ir-Te,30.0,A7BC7_aP30_2_7i_i_7i:Br-Ir-Te +mp-29236,InTeBr,-3.4017412075,-0.9190685564,0.0,-0.0299336308,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-In-Te,12.0,ABC_mP12_14_e_e_e:Br-In-Te +mp-1212594,In3Te3Br,-3.4591057039,-0.7108203896,0.0,-0.0250905649,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Br-In-Te,28.0,AB3C3_oP28_62_c_3c_3c:Br-In-Te +mp-1188957,Te6IrBr3,-3.7209785375,-0.4852430845,0.0539715469,0.0539715469,GGA,R-3c,A3BC6_hR60_167_e_a_f:Br-Ir-Te,20.0,A3BC6_hR60_167_e_a_f:Br-Ir-Te +mp-1199238,InTe14(IrBr8)2,-3.3760187497,-0.6704645716000001,0.0477509944,0.0477509944,GGA,P-1,A16BC2D14_aP66_2_16i_i_2i_14i:Br-In-Ir-Te,66.0,A16BC2D14_aP66_2_16i_i_2i_14i:Br-In-Ir-Te +mp-998173,RbPdCl3,-3.77837043,-1.4371652575,0.0433054945,0.0433054945,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Pd-Rb,5.0,A3BC_cP5_221_c_b_a:Cl-Pd-Rb +mp-28145,Rb2PdCl6,-3.6008535678,-1.5750569106,0.0,-0.2268214999999999,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Pd-Rb,9.0,A6BC2_cF36_225_e_a_c:Cl-Pd-Rb +mp-604594,Ce2In5Pd4,-4.7992969141,-0.5861947141,0.0187841505,0.0187841505,GGA,P2_1/m,A2B5C4_mP22_11_2e_5e_4e:Ce-In-Pd,22.0,"Invalid WP multiplicities - A2B5C4_mP22_11_2e_10e_8e:Ce-In-Pd, expected CeIn5Pd4 to be Ce2In5Pd4" +mp-1226938,Ce2In2PdRh,-5.6885799372,-0.7029573622,0.0086096894,0.0086096894,GGA,Pm,A2B2CD_mP18_6_6b_6a_3a_a2b:Ce-In-Pd-Rh,18.0,A2B2CD_mP18_6_6b_6a_3a_a2b:Ce-In-Pd-Rh +mp-641911,Ce(In2Pd)2,-4.4206885189000005,-0.5207474196,0.0017259707,0.0017259707,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ce-In-Pd,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_14c_4c:Ce-In-Pd, expected Ce(In7Pd2)2 to be Ce(In2Pd)2" +mp-1102172,Ce2In8Pd,-3.9678851564,-0.4170187964,0.0,-0.0079656195,GGA,P4/mmm,A2B8C_tP11_123_g_ehi_a:Ce-In-Pd,11.0,A2B8C_tP11_123_g_ehi_a:Ce-In-Pd +mp-1214111,Ce8InPd24,-6.0765582624,-0.7876624924000001,0.0301791097,0.0301791097,GGA,Pm-3m,A8BC24_cP33_221_g_a_efh:Ce-In-Pd,33.0,A8BC24_cP33_221_g_a_efh:Ce-In-Pd +mp-1226507,CePdRh2,-7.1363149225,-0.6759182463,0.0244910867,0.0244910867,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ce-Pd-Rh,4.0,ABC2_tP4_123_a_c_e:Ce-Pd-Rh +mp-642458,CeIn4Pd,-4.1299486492,-0.4433310017,0.0146979146,0.0146979146,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ce-In-Pd,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_2a2c2f_c:Ce-In-Pd, expected CeIn8Pd to be CeIn4Pd" +mp-1199723,Ce4In21Pd10,-4.3068251743,-0.4977813729,0.0,-0.0038039161,GGA,C2/m,A4B21C10_mC70_12_2i_a10i_5i:Ce-In-Pd,35.0,A4B21C10_mC70_12_2i_a10i_5i:Ce-In-Pd +mp-1096298,In2PdRh,-2.99215308,1.519736205,1.9743734675,1.9743734675,GGA,Immm,A2BC_oI8_71_e_a_b:In-Pd-Rh,4.0,A2BC_oI8_71_e_a_b:In-Pd-Rh +mp-21460,CeIn2Pd,-4.7177942250000005,-0.5637096187,0.0258524908,0.0258524908,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ce-In-Pd,8.0,AB2C_oC16_63_c_f_c:Ce-In-Pd +mp-1226828,Ce2(PdRh)3,-6.8969005525,-0.7095571337000001,0.0238007762,0.0238007762,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:Ce-Pd-Rh,8.0,A2B3C3_oP8_47_i_cl_def:Ce-Pd-Rh +mp-20165,Ce2InPd2,-5.747009079,-0.7514839470000001,0.0,-0.0457695573,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-In-Pd,10.0,A2BC2_tP10_127_h_a_g:Ce-In-Pd +mp-21387,CeInPd,-5.3426468678,-0.7210953028,0.0,-0.0528655855,GGA,P-62m,ABC_hP9_189_f_g_ad:Ce-In-Pd,9.0,ABC_hP9_189_f_g_ad:Ce-In-Pd +mp-1191263,CeIn2Pd3,-5.1702382187,-0.6742212112,0.0,-0.023724486,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ce-In-Pd,24.0,AB2C3_oP24_62_c_2c_3c:Ce-In-Pd +mp-641689,Ce6In5Pd12,-5.5780247867,-0.729523252,0.0179904055,0.0179904055,GGA,P6_3/mcm,A6B5C12_hP46_193_k_dg_abhk:Ce-In-Pd,46.0,"Invalid WP multiplicities - A6B5C12_hP46_193_k_4d5g_a2b7h8k:Ce-In-Pd, expected Ce6In23Pd79 to be Ce6In5Pd12" +mp-20231,CeInPd2,-5.4832693463,-0.72213522,0.0091593831,0.0091593831,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ce-In-Pd,8.0,ABC2_hP8_194_c_a_f:Ce-In-Pd +mp-1191663,Te8RuCl2,-4.089281685,-0.6240159571,0.0,-0.2052400154,GGA,C2/c,A2BC8_mC44_15_ce_a_4f:Cl-Ru-Te,22.0,A2BC8_mC44_15_ae_c_4f:Cl-Ru-Te +mp-1203469,In2Te9RuCl8,-3.6927116098,-0.7999207938,0.1227357048,0.1227357048,GGA,C2/c,A8B2CD9_mC80_15_4f_f_a_e4f:Cl-In-Ru-Te,40.0,A8B2CD9_mC80_15_4f_f_a_e4f:Cl-In-Ru-Te +mp-1096489,InCuRh2,-2.99122375,2.403652785,2.610566055,2.610566055,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-In-Rh,4.0,ABC2_oI8_71_a_b_e:Cu-In-Rh +mp-11102,YbInRh,-4.5383822758,-0.6531823158,0.0,-0.0561192492,GGA,Pnma,ABC_oP12_62_c_c_c:In-Rh-Yb,,ABC_oP12_62_c_c_c:In-Rh-Yb +mp-865774,YbInRh2,-5.3825064975,-0.62752956,0.0,-0.0579462972,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Rh-Yb,,AB2C_cF16_225_a_c_b:In-Rh-Yb +mp-11100,YbIn5Rh,-3.6145852543,-0.3771088543,0.0,-0.0160295043,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:In-Rh-Yb,,A5BC_tP7_123_ci_b_a:In-Rh-Yb +mp-12813,YbIn2Rh,-4.194095535,-0.5922746325,0.0,-0.0567241717,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Rh-Yb,,A2BC_oC16_63_f_c_c:In-Rh-Yb +mp-672274,YbIn4Rh,-3.7363604508,-0.4179186058,0.0070048658,0.0070048658,GGA,Pmma,A4BC_oP12_51_afj_e_e:In-Rh-Yb,,"Invalid WP multiplicities - A4BC_oP12_51_2afj_e_e:In-Rh-Yb, expected YbIn5Rh to be YbIn4Rh" +mp-1216028,Yb5In4Cu20Rh,-3.8478116173,-0.2460376977,0.038355667,0.038355667,GGA,R3m,A20B4CD5_hR90_160_5a5b_4a_a_5a:Cu-In-Rh-Yb,,"Invalid WP multiplicities - A20B4CD5_hR90_160_5a15b_4a_a_5a:Cu-In-Rh-Yb, expected Yb5In4Cu50Rh to be Yb5In4Cu20Rh" +mp-865854,Yb2CuRh,-4.094840895,-0.45915812,0.0,-0.0110193038,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Rh-Yb,,ABC2_cF16_225_a_b_c:Cu-Rh-Yb +mp-1080464,Ba3(CdAs2)2,-3.7606519167,-0.8451876989,0.0,-0.011375399,GGA,C2/m,A4B3C2_mC18_12_2i_ai_i:As-Ba-Cd,9.0,A4B3C2_mC18_12_2i_ai_i:As-Ba-Cd +mp-1018135,LiCdAs,-2.9730597933,-0.4760827828,0.0,-0.1082957473,GGA,F-43m,ABC_cF12_216_c_a_b:As-Cd-Li,3.0,ABC_cF12_216_c_a_b:As-Cd-Li +mp-1009006,LiCdAs,-2.7167221067,-0.2197450961,0.2563376867,0.1480419394,GGA,F-43m,ABC_cF12_216_a_b_c:As-Cd-Li,3.0,ABC_cF12_216_a_b_c:As-Cd-Li +mp-10616,BaLiAs,-3.7723681367,-0.9433627328,0.0,-0.0297558307,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Ba-Li,3.0,ABC_hP3_187_a_d_e:As-Ba-Li +mp-1104453,Ba2Cd2As3,-3.5750111121,-0.7662847386,0.0035077821,0.0035077821,GGA,C2/m,A3B2C2_mC28_12_3i_2i_2i:As-Ba-Cd,14.0,A3B2C2_mC28_12_3i_2i_2i:As-Ba-Cd +mp-8281,Ba(CdAs)2,-3.250679454,-0.6340812,0.0,-0.0745534265,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ba-Cd,5.0,A2BC2_hP5_164_d_a_d:As-Ba-Cd +mp-1192557,Ba4Li2(CdAs2)3,-3.6401564047,-0.8256813911,0.0,-0.0168337272,GGA,Cmcm,A6B4C3D2_oC60_63_2c2f_2f_cf_2c:As-Ba-Cd-Li,30.0,A6B4C3D2_oC60_63_2c2f_2f_cf_2c:As-Ba-Cd-Li +mp-15753,Ba3(LiAs)4,-3.8394961782,-0.9277607321,0.0,-0.0478691098,GGA,Immm,A4B3C4_oI22_71_eg_bf_n:As-Ba-Li,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_e2g_bf_n:As-Ba-Li, expected Ba3(Li2As3)2 to be Ba3(LiAs)4" +mp-1095977,Ba2LiCd,-0.50654283,1.1608977967,1.3401233242,1.3401233242,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Li,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Li +mp-1079666,Ba2CdAs2,-3.758343815,-0.942528525,0.0,-0.073661169,GGA,Cmc2_1,A2B2C_oC20_36_2a_2a_a:As-Ba-Cd,10.0,A2B2C_oC20_36_2a_2a_a:As-Ba-Cd +mp-999207,Sc2MnSn,-6.6375242525,-0.1783929132,0.313112816,0.313112816,GGA,F-43m,AB2C_cF16_216_a_bc_d:Mn-Sc-Sn,4.0,AB2C_cF16_216_a_bc_d:Mn-Sc-Sn +mp-1018017,Sc2MnSn,-6.7213205475,-0.2621892082,0.229316521,0.229316521,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Sc-Sn,4.0,AB2C_cF16_225_a_c_b:Mn-Sc-Sn +mp-12697,Sc(MnSn)6,-6.6956436338,-0.1293365579,0.0,-0.0212399592,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Mn-Sc-Sn,13.0,A6BC6_hP13_191_i_a_cde:Mn-Sc-Sn +mp-1209064,ScMn6(Sn2Ge)2,-6.8762294877,-0.2155445656,0.0,-0.0218537436,GGA,P6/mmm,A2B6CD4_hP13_191_c_i_a_de:Ge-Mn-Sc-Sn,13.0,A2B6CD4_hP13_191_c_i_a_de:Ge-Mn-Sc-Sn +mp-980659,Tl3BiCl6,-3.6007017305,-1.3987378775,0.0,-0.017071198,GGA,P4_2/m,AB6C3_tP20_84_c_jk_aj:Bi-Cl-Tl,20.0,AB6C3_tP20_84_c_jk_aj:Bi-Cl-Tl +mp-1112109,Cs2TlBiCl6,-3.718719677,-1.8102039789,0.0064838393,0.0064838393,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Tl +mp-1189438,TlBi2Cl7,-3.73766902,-1.4393312173,0.0,-0.036886859,GGA,P-1,A2B7C_aP20_2_2i_7i_i:Bi-Cl-Tl,20.0,A2B7C_aP20_2_2i_7i_i:Bi-Cl-Tl +mp-569107,CsErZnTe3,-3.9911488617,-1.2990184497,0.0,-0.1044779829,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Er-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_2c2f_c:Cs-Er-Te-Zn, expected CsErZnTe6 to be CsErZnTe3" +mp-7211,CsPrHgSe3,-4.2115200875,-1.4668996,0.0,-0.0576167387,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cs-Hg-Pr-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Cs-Hg-Pr-Se +mp-1228039,BaCu6Te6Se,-4.0040503879,-0.5133388309,0.0503234586,0.0503234586,GGA,P2,AB6CD6_mP14_3_c_3e_b_2a2e:Ba-Cu-Se-Te,14.0,AB6CD6_mP14_3_a_3e_c_2b2e:Ba-Cu-Se-Te +mp-31038,CuSe2Cl,-3.9106056981,-0.6757141268,0.0,-0.129686307,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cl-Cu-Se,16.0,ABC2_mP16_14_e_e_2e:Cl-Cu-Se +mp-1213116,CuTeSeCl,-3.7146020038,-0.5678618285,0.087080095,0.087080095,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cl-Cu-Se-Te,16.0,ABCD_mP16_14_e_e_e_e:Cl-Cu-Se-Te +mp-1181716,CrCu3HgSe4,-4.3855746444,-0.3591308938,0.1212324861,0.1212324861,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Hg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Hg-Se +mp-5602,Cr2HgSe4,-5.5219533671,-0.7228931935,0.0,-0.0178040336,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Hg-Se,14.0,A2BC4_cF56_227_c_b_e:Cr-Hg-Se +mp-1071492,ErSnGe,-4.99994031,-0.5998341367000001,0.0,-0.0116941435,GGA,Cmcm,ABC_oC12_63_c_c_c:Er-Ge-Sn,6.0,ABC_oC12_63_c_c_c:Er-Ge-Sn +mp-1213028,ErMn6(Sn2Ge)2,-6.7509717608,-0.2260368614,0.0,-0.0219532232,GGA,P6/mmm,AB2C6D4_hP13_191_a_c_i_de:Er-Ge-Mn-Sn,13.0,AB2C6D4_hP13_191_a_c_i_de:Er-Ge-Mn-Sn +mp-1103936,Er(MnSn)6,-6.5672718923,-0.136714839,0.0,-0.0074909838,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Er-Mn-Sn,13.0,AB6C6_hP13_191_a_i_cde:Er-Mn-Sn +mp-1197296,ErMnSn2,-5.7956652721,-0.3584458191,0.0613311597,0.0613311597,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Er-Mn-Sn,48.0,ABC2_oP48_55_gi_ei_2g2hi:Er-Mn-Sn +mp-1114072,Rb2InGaBr6,-3.246184402,-1.5402826143,0.05029144,0.05029144,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-In-Rb +mp-714665,RbSmGeSe4,-4.8769466886,-1.4046904067,0.0083133018,-0.0119005914,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ge-Rb-Se-Sm,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_2a_3a_15a_4a:Ge-Rb-Se-Sm, expected Rb3Sm4Ge2Se15 to be RbSmGeSe4" +mp-567873,RbSmGeSe4,-4.8852599904,-1.4130037085,0.0,-0.0202138932,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Ge-Rb-Se-Sm,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Ge-Rb-Se-Sm, expected RbSmGeSe13 to be RbSmGeSe4" +mp-638061,AlInCl4,-4.0661495775,-1.7509152108,0.0,-0.0668308095,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Cl-In,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_6c6d_c:Al-Cl-In, expected AlInCl18 to be AlInCl4" +mp-1114076,Rb2AlInCl6,-3.878488762,-1.9235339955,0.0604902263,0.0604902263,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-In-Rb +mp-1219292,ScZnCu,-4.1924526692,-0.2953128742,0.0076898379,0.0076898379,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Cu-Sc-Zn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Cu-Sc-Zn, expected Sc3(ZnCu)2 to be ScZnCu" +mp-867896,ScZnCu2,-4.2030326825,-0.2553761687,0.0,-0.0188856101,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Cu-Sc-Zn +mp-978523,Sc2ZnCu,-4.8237581175,-0.317785995,0.0133943925,0.0133943925,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Sc-Zn +mp-1179135,ScZnCu3Se4,-4.5707890878,-0.8070692394000001,0.0917477364,0.0917477364,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Sc-Se-Zn,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Sc-Se-Zn +mp-1001016,Sc2ZnSe4,-5.6608167707,-1.6739128092,0.0190044539,0.0190044539,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Sc-Se-Zn,14.0,A2B4C_cF56_227_c_e_b:Sc-Se-Zn +mp-1096456,ScZn2Cu,-1.5884984925,1.6492922563,1.9335472369,1.9335472369,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Sc-Zn,4.0,ABC2_oI8_71_a_b_e:Cu-Sc-Zn +mp-1187006,ScZn2Cu,-3.5026932200000003,-0.2649024712,0.0193525094,0.0193525094,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Sc-Zn,4.0,ABC2_cF16_225_a_b_c:Cu-Sc-Zn +mp-999059,Ti2GaFe,-7.0603133025,-0.238037986,0.2081949475,0.2081949475,GGA,F-43m,ABC2_cF16_216_a_c_bd:Fe-Ga-Ti,4.0,ABC2_cF16_216_a_c_bd:Fe-Ga-Ti +mp-998964,TiGaFeCo,-7.103545845,-0.478064084,0.0,-0.0339635687,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-Ti,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-Ti +mp-636320,TiGaFe2,-7.3263778775,-0.3604702627,0.0,-0.0566639955,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Ti +mp-1214252,Ce6SiNi4,-6.1231128191,-0.2918037573,0.0762962241,0.0762962241,GGA,P6_3/m,A6B4C_hP22_176_2h_bh_c:Ce-Ni-Si,22.0,A6B4C_hP22_176_2h_bh_c:Ce-Ni-Si +mp-504613,Ce3(Si4Ni)2,-6.1841605154,-0.5870770488,0.0441882658,0.0441882658,GGA,Cmmm,A3B2C8_oC26_65_ah_g_2g2h:Ce-Ni-Si,13.0,A3B2C8_oC26_65_ah_g_2g2h:Ce-Ni-Si +mp-568452,Ce3Si11Pt23,-6.7445455919,-0.8766041823,0.0,-0.0240297827,GGA,Fm-3m,A3B23C11_cF296_225_d_e2fk_e2f:Ce-Pt-Si,74.0,"Invalid WP multiplicities - A3B23C11_cF296_225_d_6e11f12k_5e11f:Ce-Pt-Si, expected Ce3Si59Pt206 to be Ce3Si11Pt23" +mp-1227485,Ce2Si5Ni17,-6.1885962108,-0.4696340433,0.0484394885,0.0484394885,GGA,I-4m2,A2B17C5_tI48_119_ac_b2j_di:Ce-Ni-Si,24.0,"Invalid WP multiplicities - A2B17C5_tI48_119_ac_b7j_di:Ce-Ni-Si, expected Ce2Si5Ni57 to be Ce2Si5Ni17" +mp-1226998,Ce4Ni3Pt,-6.3875243512,-0.4945368537,0.0123951713,0.0123951713,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:Ce-Ni-Pt,8.0,A4B3C_oP8_25_abcd_abc_d:Ce-Ni-Pt +mp-510324,Ce3(SiNi3)2,-6.3408946677,-0.5835561582000001,0.0,-0.0047950108,GGA,Im-3m,A3B6C2_cI44_229_e_h_c:Ce-Ni-Si,22.0,A3B6C2_cI44_229_e_h_c:Ce-Ni-Si +mp-1227027,Ce2Si9Ni17,-6.2514009182,-0.5743879132,0.0180046556,0.0180046556,GGA,Fmmm,A2B17C9_oF112_69_f_amn2o_bmn:Ce-Ni-Si,28.0,"Invalid WP multiplicities - A2B17C9_oF112_69_f_a2m2n3o_b2m2n:Ce-Ni-Si, expected Ce2Si17Ni29 to be Ce2Si9Ni17" +mp-15653,CeSi2Ni,-6.4375484688,-0.7965829950000001,0.0,-0.0680513647,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Ni-Si +mp-1072537,CeSiNi4,-6.33410287,-0.5876105525,0.0,-0.0659447481,GGA,Cmmm,AB4C_oC12_65_a_fg_c:Ce-Ni-Si,6.0,AB4C_oC12_65_a_fg_c:Ce-Ni-Si +mp-1226902,Ce3Si3Pt,-6.5392220486,-0.8040284950000001,0.0252317107,0.0252317107,GGA,Imm2,A3BC3_oI14_44_a2b_a_a2b:Ce-Pt-Si,,A3BC3_oI14_44_a2b_a_a2b:Ce-Pt-Si +mp-4537,Ce(SiNi)2,-6.448451822,-0.7796521070000001,0.0,-0.0653255931,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Ni-Si +mp-1226865,Ce2Si2NiPt,-6.6626706,-0.901323205,0.0127519183,0.0127519183,GGA,Imm2,A2BCD2_oI12_44_ab_a_b_ab:Ce-Ni-Pt-Si,6.0,A2BCD2_oI12_44_ab_a_b_ab:Ce-Ni-Pt-Si +mp-1226898,Ce2Si3Ni,-6.3555176867,-0.7018061733000001,0.0361888604,0.0361888604,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ce-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Ce-Ni-Si +mp-20710,CeSiNi,-6.4338165367,-0.7209685817,0.0,-0.0260564161,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Ni-Si,6.0,ABC_tI12_109_a_a_a:Ce-Ni-Si +mp-1226524,CeSiNi,-6.4230239067,-0.7101759517,0.01079263,-0.0152637861,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Ni-Si,3.0,ABC_hP3_187_b_c_e:Ce-Ni-Si +mp-1227652,Ce10Si5Ni,-6.250591225,-0.4857400762,0.0026062445,0.0026062445,GGA,Fmm2,A10BC5_oF64_42_c2de_a_abc:Ce-Ni-Si,16.0,"Invalid WP multiplicities - A10BC5_oF64_42_c4d2e_a_abc:Ce-Ni-Si, expected Ce18Si5Ni to be Ce10Si5Ni" +mp-1207119,CeSiPt3,-6.95513383,-1.040772401,0.0,-0.0432604666,GGA,P4mm,AB3C_tP5_99_b_ac_a:Ce-Pt-Si,5.0,AB3C_tP5_99_b_ac_a:Ce-Pt-Si +mp-22438,Ce(SiPt)2,-6.879099153,-1.093900782,0.0,-0.1167779641,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Pt-Si,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2ac_2b2c:Ce-Pt-Si, expected CeSi4Pt3 to be Ce(SiPt)2" +mp-5734,Ce(SiPt)2,-6.786912714,-1.001714343,0.092186439,-0.0245915251,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Pt-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Pt-Si +mp-1226780,Ce2NiPt,-6.6221742625,-0.6928121850000001,0.00668619,0.00668619,GGA,Amm2,A2BC_oC8_38_ab_a_b:Ce-Ni-Pt,4.0,A2BC_oC8_38_ab_a_b:Ce-Ni-Pt +mp-1202894,Ce2Si2Ni15,-6.0376871113,-0.2787995024,0.1328867218,0.1328867218,GGA,P6_3/mmc,A2B15C2_hP38_194_bc_gjk_f:Ce-Ni-Si,38.0,A2B15C2_hP38_194_bc_gjk_f:Ce-Ni-Si +mp-1183797,Ce2Si5Ni3,-6.3778847545,-0.7445669045000001,0.0,-0.0144612017,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Ni-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Ni-Si +mp-624355,Ce14Si11Ni6,-6.3656702769,-0.6423616776000001,0.0016022637,0.0016022637,GGA,C2/m,A14B6C11_mC124_12_ad13i_6i_11i:Ce-Ni-Si,62.0,"Invalid WP multiplicities - A14B6C11_mC124_12_ac26i_10i_20i:Ce-Ni-Si, expected Ce27(Si2Ni)10 to be Ce14Si11Ni6" +mp-1103296,CeNiPt,-6.6223477067,-0.6942279883,0.0957339577,0.0957339577,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ni-Pt,12.0,ABC_oP12_62_c_c_c:Ce-Ni-Pt +mp-1072580,CeSiPt,-6.9170285,-1.107181665,0.0,-0.1036613467,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Pt-Si,6.0,ABC_tI12_109_a_a_a:Ce-Pt-Si +mp-567579,Ce2Si4Pt7,-6.8413749875,-0.9901916283,0.0054414924,0.0054414924,GGA,Pnma,A2B7C4_oP52_62_2c_7c_4c:Ce-Pt-Si,52.0,"Invalid WP multiplicities - A2B7C4_oP52_62_3c_24c_13c:Ce-Pt-Si, expected Ce3Si13Pt24 to be Ce2Si4Pt7" +mp-31051,CeSi4Ni9,-6.2532338961,-0.5635487964,0.0047797649,0.0047797649,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ce-Ni-Si,28.0,"Invalid WP multiplicities - AB9C4_tI56_140_a_d4k3l_l:Ce-Ni-Si, expected CeSi4Ni29 to be CeSi4Ni9" +mp-569913,Ce3SiPt5,-7.0468119222,-1.0934505783,0.0,-0.0181268132,GGA,Imma,A3B5C_oI36_74_ei_aj_e:Ce-Pt-Si,18.0,"Invalid WP multiplicities - A3B5C_oI36_74_2e3i_aj_e:Ce-Pt-Si, expected Ce8SiPt5 to be Ce3SiPt5" +mp-3284,CeSi2Pt,-6.6766795738,-0.96296494,0.0,-0.0486218562,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Pt-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Pt-Si +mp-1206942,Ce2(SiPt)3,-5.5558842762000005,0.2385572688,1.3374383819,1.3374383819,GGA,P4/mmm,A2B3C3_tP8_123_g_ag_bg:Ce-Pt-Si,8.0,A2B3C3_tP8_123_g_ag_bg:Ce-Pt-Si +mp-1207122,CeSi3Pt,-6.454675248,-0.7986399350000001,0.0,-0.028267983,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Pt-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Pt-Si +mp-1206722,Ce3(SiNi)4,-6.4494942164,-0.7566681886000001,0.0,-0.0090252773,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:Ce-Ni-Si,11.0,A3B4C4_oI22_71_af_ef_ef:Ce-Ni-Si +mp-1191823,CeSi2Ni9,-6.2131918692,-0.4794455912,0.0,-0.0259114467,GGA,I4_1/amd,AB9C2_tI48_141_b_ai_c:Ce-Ni-Si,24.0,AB9C2_tI48_141_b_ai_c:Ce-Ni-Si +mp-1206104,CeSiPt2,-6.9462607075000005,-1.0710922512,0.0115712917,0.0115712917,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ce-Pt-Si,,AB2C_oC16_63_c_2c_c:Ce-Pt-Si +mp-20677,Gd(CuSi)2,-7.19469405,-0.569659722,0.0,-0.1751683333,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Gd-Si +mp-641576,Gd3CuSiSe7,-7.9671542583,-1.6151316114,0.0,-0.0258000883,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Gd-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b8c_b:Cu-Gd-Se-Si, expected Gd3CuSiSe26 to be Gd3CuSiSe7" +mp-1224712,GdCuSi,-8.47291129,-0.6060289767,0.0263525617,-0.0498976542,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Gd-Si,3.0,ABC_hP3_187_a_d_e:Cu-Gd-Si +mp-607182,GdCuSi,-8.4992638517,-0.6323815383,0.0,-0.0762502158,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Gd-Si,6.0,ABC_hP6_194_c_a_d:Cu-Gd-Si +mp-1195123,Ba2ThCrTe7,-5.1530394155,-1.2523124288,0.0752795214,0.0752795214,GGA,Pnma,A2BC7D_oP44_62_2c_a_3c2d_c:Ba-Cr-Te-Th,44.0,A2BC7D_oP44_62_2c_a_3c2d_c:Ba-Cr-Te-Th +mp-1095218,BaThTe4,-5.1678137217,-1.5168042611,0.0108585892,0.0108585892,GGA,C2/m,AB4C_mC24_12_i_2ij_i:Ba-Te-Th,12.0,AB4C_mC24_12_i_2ij_i:Ba-Te-Th +mp-1111449,Cs2SmCuCl6,-4.321690087,-2.1517083361,0.0391985565,0.0391985565,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Sm +mp-1112633,Cs2GdAuCl6,-5.098986634,-2.0757837396,0.0981472057,0.0981472057,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Gd,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Gd +mp-1112944,Cs2NdAgBr6,-3.82210278,-1.951134964,0.0,-0.0136751873,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Nd +mp-1110710,Rb2LiNdBr6,-3.950974205,-2.1553433626,0.0333540545,0.0333540545,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Li-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Li-Nd-Rb +mp-1110667,Rb2LiTaCl6,-4.600360735,-1.9184618748,0.1209354792,0.1209354792,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Ta +mp-1198529,HfHg4(AsCl3)2,-3.6341485552,-1.2048126121,0.0,-0.0492968848,GGA,Pbca,A2B6CD4_oP104_61_2c_6c_c_4c:As-Cl-Hf-Hg,104.0,A2B6CD4_oP104_61_2c_6c_c_4c:As-Cl-Hf-Hg +mp-1113199,Cs2LiEuCl6,-4.813681545,-2.3088866079,0.430685553,0.430685553,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-Li +mp-1224252,Na34Cd6Ga92Cu7,-2.704487835,-0.1305131638,0.0196830779,0.0196830779,GGA,R3m,A6B7C92D34_hR417_160_c_a2b_2a16b7c_4a6b2c:Cd-Cu-Ga-Na,139.0,A6B7C92D34_hR417_160_c_a2b_2a16b7c_4a6b2c:Cd-Cu-Ga-Na +mp-1114018,Rb2NaLaCl6,-4.399892327,-2.4688102767,0.0388578083,0.0388578083,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-La-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-La-Na-Rb +mp-1113207,Cs2TbCuCl6,-4.322287338,-2.1607275906,0.0298596508,0.0298596508,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tb +mp-1223004,LiIn(TeMo)6,-6.5824280621,-0.2542607324,0.2324886246,0.2324886246,GGA,P-6,ABC6D6_hP14_174_a_d_jk_jk:In-Li-Mo-Te,14.0,ABC6D6_hP14_174_a_d_jk_jk:In-Li-Mo-Te +mp-1079012,Cu2SnHgTe4,-3.5000732862,-0.3644621446,0.003858396,0.003858396,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Hg-Sn-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Hg-Sn-Te +mp-1111064,Na2GaHgBr6,-2.732223299,-1.2027236036,0.2432229025,0.2432229025,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-Na +mp-29419,Hf(Te2Cl3)2,-4.3648817982,-1.308369747,0.0,-0.0019633447,GGA,P-1,A6BC4_aP11_2_3i_a_2i:Cl-Hf-Te,11.0,A6BC4_aP11_2_3i_a_2i:Cl-Hf-Te +mp-29708,Hf(Te4Cl3)2,-4.0345535643,-0.9548964886,0.0045746592,0.0045746592,GGA,P-1,A6BC8_aP30_2_6i_ab_8i:Cl-Hf-Te,30.0,"Invalid WP multiplicities - A6BC8_aP30_2_6i_ab_11i:Cl-Hf-Te, expected HfTe11Cl6 to be Hf(Te4Cl3)2" +mp-1097002,Hf(TeSe3)2,-4.7232152728,-0.5877408636,0.1869314905,0.1869314905,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Hf-Se-Te,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_7e_e:Hf-Se-Te, expected Hf(TeSe7)2 to be Hf(TeSe3)2" +mp-989651,HfTeSe4,-5.4882807433,-0.974257271,0.0279533765,0.0279533765,GGA,P2/m,AB4C_mP6_10_b_mn_c:Hf-Se-Te,6.0,"Invalid WP multiplicities - AB4C_mP6_10_b_2mn_c:Hf-Se-Te, expected HfTeSe6 to be HfTeSe4" +mp-1212434,HfTe7SeCl6,-4.0953001423,-0.9921360276,0.0,-0.0002053219,GGA,P2_1/c,A6BCD7_mP60_14_6e_e_e_7e:Cl-Hf-Se-Te,60.0,A6BCD7_mP60_14_6e_e_e_7e:Cl-Hf-Se-Te +mp-1097020,HfTe3Se8,-4.4470647883,-0.5008649107,0.1600382966,0.1600382966,GGA,P-1,AB8C3_aP24_2_i_8i_3i:Hf-Se-Te,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_14i_5i:Hf-Se-Te, expected HfTe5Se14 to be HfTe3Se8" +mp-651409,Hf(TeCl6)2,-3.9400467038,-1.3782973213,0.1297288164,0.1297288164,GGA,R-3c,A12BC2_hR270_167_6f_ac_f:Cl-Hf-Te,90.0,"Invalid WP multiplicities - A12BC2_hR270_167_61f_2ac_f:Cl-Hf-Te, expected Hf2(TeCl61)3 to be Hf(TeCl6)2" +mp-31305,Hf(TeCl)6,-4.171112465,-1.101247515,0.0058345786,0.0058345786,GGA,Pbcm,A6BC6_oP52_57_2d2e_d_cd2e:Cl-Hf-Te,52.0,"Invalid WP multiplicities - A6BC6_oP52_57_2d3e_d_c2d3e:Cl-Hf-Te, expected HfTe9Cl8 to be Hf(TeCl)6" +mp-1224271,HfTeSe,-6.9054910167,-1.3733555497,0.0086798233,0.0086798233,GGA,P3m1,ABC_hP3_156_a_b_c:Hf-Se-Te,3.0,ABC_hP3_156_a_b_c:Hf-Se-Te +mp-1120799,GaFeAs2,-5.1208611306,0.08322738,0.3668316101,0.3668316101,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:As-Fe-Ga,16.0,A2BC_oP16_33_2a_a_a:As-Fe-Ga +mp-1224901,GaFe3As,-6.726472362,-0.1070167505,0.0738328334,0.0738328334,GGA,P-6m2,AB3C_hP5_187_b_ai_c:As-Fe-Ga,5.0,AB3C_hP5_187_b_ai_c:As-Fe-Ga +mp-1226345,Cr3GaFe3As2,-7.4336555589,-0.0208179064,0.1199849105,0.1199849105,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Ga,9.0,A2B3C3D_hP9_189_c_g_f_b:As-Cr-Fe-Ga +mp-1113201,Cs2InGaCl6,-3.669821074,-1.8036406283,0.0405637155,0.0405637155,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-In,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-In +mp-542013,Rb4Zr3Se14,-5.0847703981,-1.3462942616,0.0,-0.0629965205,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Rb-Se-Zr,42.0,A4B14C3_mC84_15_2f_7f_ef:Rb-Se-Zr +mp-1179676,RbZrCu3Se4,-4.7854788244,-0.8066454219,0.1299220337,0.1299220337,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Zr,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Zr +mp-1111534,Na2InAgCl6,-3.419375186,-1.487324158,0.122314266,0.122314266,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-Na +mp-1181579,CsMnCu3Se4,-4.5216170878,-0.4839855784,0.1239827372,0.1239827372,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Mn-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Mn-Se +mp-1206957,ErNiAs,-6.04249639,-1.0401717583,0.0084673333,-0.0115051856,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Er-Ni,3.0,ABC_hP3_187_a_d_e:As-Er-Ni +mp-1212933,ErNiAs,-6.0509637233,-1.0486390917,0.0,-0.019972519,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:As-Er-Ni,12.0,ABC_hP12_194_f_ab_f:As-Er-Ni +mp-510482,Er(Ni2As)2,-5.9135753757,-0.6269321843,0.0,-0.0204157096,GGA,P4_2/mnm,A2BC4_tP14_136_f_a_i:As-Er-Ni,14.0,A2BC4_tP14_136_f_a_i:As-Er-Ni +mp-1206480,Er2NiAs2,-6.072005035,-1.225242813,0.009082077,0.009082077,GGA,P6_3mc,A2B2C_hP10_186_ab_2b_a:As-Er-Ni,10.0,A2B2C_hP10_186_ab_2b_a:As-Er-Ni +mp-1087228,Er2NiAs2,-6.074441638,-1.227679416,0.006645474,0.006645474,GGA,P6_3/mmc,A2B2C_hP10_194_ac_f_b:As-Er-Ni,10.0,A2B2C_hP10_194_ac_f_b:As-Er-Ni +mp-569804,Er5Zr3(Ni4As3)4,-6.2912608017,-0.8225579217000001,0.0,-0.040301686,GGA,P-62m,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Er-Ni-Zr,36.0,"Invalid WP multiplicities - A12B5C16D3_hP36_189_6f2k_cg_a3g4j4k_f:As-Er-Ni-Zr, expected Er5Zr3(Ni29As15)2 to be Er5Zr3(Ni4As3)4" +mp-1213480,Er6Ni20As13,-5.9013070695,-0.6813689740000001,0.0,-0.0157237559,GGA,P-6,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-Er-Ni,39.0,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-Er-Ni +mp-542718,Er2Ni12As7,-5.8210764376,-0.5300808845,0.0,-0.0076756716,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Er-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Er-Ni +mp-1179864,NaMnCu3Se4,-4.6799011378,-0.5948115260000001,0.0,-0.0065740282,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Mn-Na-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Mn-Na-Se +mp-1220978,NaMnCuSe2,-5.07260739,-0.7574933478,0.005217396,0.005217396,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Mn-Na-Se,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Mn-Na-Se +mp-1186052,Na3Mn,-2.7612797575,0.5211180356,0.5211180356,0.5211180356,GGA,I4/mmm,AB3_tI8_139_a_bd:Mn-Na,4.0,AB3_tI8_139_a_bd:Mn-Na +mp-14780,Na6MnSe4,-3.9735933577,-1.1480649065,0.0,-0.0066610065,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Mn-Na-Se,22.0,AB6C4_hP22_186_b_2c_bc:Mn-Na-Se +mp-10232,NaMnSe2,-5.1411618725,-0.7720709873,0.134646616,0.134646616,GGA,P3m1,ABC2_hP4_156_a_b_ac:Mn-Na-Se,4.0,ABC2_hP4_156_a_b_ac:Mn-Na-Se +mp-29745,Na2Mn2Se3,-5.4684279825,-0.9745971819,0.0,-0.0907221094,GGA,C2/c,A2B2C3_mC56_15_2f_2ef_3f:Mn-Na-Se,28.0,A2B2C3_mC56_15_2f_2ef_3f:Mn-Na-Se +mp-1208837,Sr(InCu)2,-3.261894152,-0.1836393013,0.084567837,0.084567837,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Cu-In-Sr,5.0,A2B2C_tI10_139_e_d_a:Cu-In-Sr +mp-21733,Sr(InSe2)2,-4.2887607462,-1.2635454857,0.0,-0.0341414508,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:In-Se-Sr,56.0,A2B4C_oF224_70_2h_4h_abe:In-Se-Sr +mp-680813,SrIn6Cu7,-3.4675634293,-0.1179889633,0.0,-0.016777112,GGA,Cmcm,A7B6C_oC112_63_2c2f2gh_2f2gh_e:Cu-In-Sr,56.0,"Invalid WP multiplicities - A7B6C_oC112_63_4c7f6g6h_6f7g5h_e:Cu-In-Sr, expected SrIn23Cu27 to be SrIn6Cu7" +mp-1179119,SrInCu3Se4,-4.0313033978,-0.6176986084,0.2796365986,0.2796365986,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-In-Se-Sr,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-In-Se-Sr +mp-1228066,AlTl2Cu3Se4,-4.021461962,-0.5462491576,0.0695488594,0.0695488594,GGA,P-4m2,AB3C4D2_tP10_115_a_bcd_2g_g:Al-Cu-Se-Tl,10.0,"Invalid WP multiplicities - AB3C4D2_tP10_115_a_bcd_4g_g:Al-Cu-Se-Tl, expected AlTl2Cu3Se8 to be AlTl2Cu3Se4" +mp-863762,AlTlSe2,-4.2662161359,-0.9912056529,0.0,-0.1186491993,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Al-Se-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:Al-Se-Tl +mp-9579,AlTlSe2,-4.2556795012,-0.9806690183,0.0105366347,-0.1081125646,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Al-Se-Tl,8.0,AB2C_tI16_140_b_h_a:Al-Se-Tl +mp-1226656,CeCu2SiGe,-5.371946424,-0.5359767480000001,0.0,-0.012628903,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:Ce-Cu-Ge-Si,5.0,AB2CD_tI10_107_a_b_a_a:Ce-Cu-Ge-Si +mp-5423,Pr(MnSi)2,-7.317654558,-0.5265400782,0.0,-0.0316107013,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Mn-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Mn-Pr-Si +mp-1207224,Pr2MnSi2,-5.011504338,0.9033882344,1.4681049994,1.4681049994,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Pr-Si,5.0,AB2C2_tP5_123_a_g_g:Mn-Pr-Si +mp-1080530,PrMnSi2,-6.76447162,-0.5660823432000001,0.004018025,0.004018025,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Mn-Pr-Si,8.0,ABC2_oC16_63_c_c_2c:Mn-Pr-Si +mp-1206076,PrMnSi2,-6.6674680438,-0.469078767,0.1010216013,0.1010216013,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Mn-Pr-Si,8.0,ABC2_oC16_63_c_c_2c:Mn-Pr-Si +mp-20333,PrMnSi,-6.91958826,-0.4635085676,0.0070887365,0.0070887365,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Pr-Si,6.0,ABC_tP6_129_a_c_c:Mn-Pr-Si +mp-1222827,LaPr(MnSi)4,-7.329862059,-0.5232374442000001,0.0,-0.000506702,GGA,P4/mmm,AB4CD4_tP10_123_a_i_d_gh:La-Mn-Pr-Si,10.0,"Invalid WP multiplicities - AB4CD4_tP10_123_a_i_d_g2h:La-Mn-Pr-Si, expected LaPr(Mn2Si3)2 to be LaPr(MnSi)4" +mp-1220616,Nd2Si2PbSe8,-5.3265544731,-1.3214106411,0.0,-0.0105248045,GGA,Cc,A2BC8D2_mC52_9_2a_a_8a_2a:Nd-Pb-Se-Si,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_9_4a_a_14a_2a:Nd-Pb-Se-Si, expected Nd4Si2PbSe14 to be Nd2Si2PbSe8" +mp-675100,Nd2PbSe4,-5.6392102557,-1.7488405635,0.0248086884,0.0248086884,GGA,I-42d,A2BC4_tI28_122_d_a_e:Nd-Pb-Se,14.0,A2BC4_tI28_122_d_a_e:Nd-Pb-Se +mp-1223412,LaCeCu12,-4.40747135,-0.1175016143,0.0028714942,0.0028714942,GGA,Pmc2_1,AB12C_oP28_26_a_4a4b2c_b:Ce-Cu-La,28.0,"Invalid WP multiplicities - AB12C_oP28_26_a_4a4b3c_b:Ce-Cu-La, expected LaCeCu14 to be LaCeCu12" +mp-1225580,LaCe(CuSi)4,-5.447753349,-0.551033843,0.004514119,0.004514119,GGA,P4/mmm,AB4CD4_tP10_123_a_i_d_gh:Ce-Cu-La-Si,10.0,"Invalid WP multiplicities - AB4CD4_tP10_123_a_i_d_g2h:Ce-Cu-La-Si, expected LaCe(Cu2Si3)2 to be LaCe(CuSi)4" +mp-1225295,Dy2ZnCuSi2,-4.8518535283,-0.6146601917,0.0112355633,0.0112355633,GGA,Pmm2,AB2C2D_oP6_25_a_cd_ab_b:Cu-Dy-Si-Zn,6.0,AB2C2D_oP6_25_a_cd_ab_b:Cu-Dy-Si-Zn +mp-1225041,DyZnSi,-4.3695084067,-0.6055589133,0.0,-0.0424087957,GGA,P-6m2,ABC_hP3_187_b_c_e:Dy-Si-Zn,3.0,ABC_hP3_187_b_c_e:Dy-Si-Zn +mp-1226782,Ce2MnSi4Pd3,-6.602663925,-0.7757528098,0.0276770773,0.0276770773,GGA,P-4m2,A2BC3D4_tP10_115_g_a_bcd_2g:Ce-Mn-Pd-Si,10.0,"Invalid WP multiplicities - A2BC3D4_tP10_115_g_a_bcd_4g:Ce-Mn-Pd-Si, expected Ce2MnSi8Pd3 to be Ce2MnSi4Pd3" +mp-1226880,Ce2Mn3Si4Pd,-7.234714054,-0.6113762424,0.0282969131,0.0282969131,GGA,P-4m2,A2B3CD4_tP10_115_g_abc_d_2g:Ce-Mn-Pd-Si,10.0,"Invalid WP multiplicities - A2B3CD4_tP10_115_g_abc_d_4g:Ce-Mn-Pd-Si, expected Ce2Mn3Si8Pd to be Ce2Mn3Si4Pd" +mp-1221623,MnSi2Pd3,-6.4436097428,-0.5182269458000001,0.0698480244,0.0698480244,GGA,Pm,AB3C2_mP18_6_3a_3a6b_2a4b:Mn-Pd-Si,18.0,AB3C2_mP18_6_3a_3a6b_2a4b:Mn-Pd-Si +mp-1226515,CeMnSi2Pd,-6.88704229,-0.6619178266,0.0603533663,0.0603533663,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Mn-Pd-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Mn-Pd-Si +mp-505334,Dy2Mn3Si5,-6.9745621035,-0.5919411329,0.0,-0.0142851417,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Dy-Mn-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Dy-Mn-Si +mp-1225693,DyMn2SiGe,-7.154686872,-0.5588542102,0.0015723132,0.0015723132,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Dy-Ge-Mn-Si,5.0,ABC2D_tI10_107_a_a_b_a:Dy-Ge-Mn-Si +mp-22101,DyMnSi,-6.88675343,-0.488713376,0.0482593353,0.0482593353,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Mn-Si,12.0,ABC_oP12_62_c_c_c:Dy-Mn-Si +mp-4985,Dy(MnSi)2,-7.359980944,-0.6036902472,0.0,-0.0692844158,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Mn-Si +mp-1113981,Rb2LiErCl6,-4.419107751,-2.4662147728,0.00018626,0.00018626,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Er-Li-Rb +mp-1113919,Na2LiGdCl6,-5.2088714320000005,-2.2367398666,0.129712058,0.129712058,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Li-Na +mp-1110806,Rb2NdAgCl6,-4.220075674,-2.1547765199,0.0348052265,0.0348052265,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Nd-Rb +mp-1113374,Na2NdCuCl6,-4.15075201,-1.8903895451,0.1901559,0.1901559,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Nd,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Nd +mp-1110723,Rb2CuBiBr6,-3.352891918,-1.4309985255,0.0429090251,0.0429090251,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-Rb +mp-1079458,Cs2NaCeCl6,-4.480264822,-2.4665009067,0.0,-0.0262289175,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Na +mp-1078250,Cs2AgBiBr6,-3.293091344,-1.5148893583,0.0009490643,0.0009490643,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-Cs +mp-1120775,Cs2AgBiBr6,-2.141143694,-0.3629417083,1.1528967143,1.1528967143,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Ag-Bi-Br-Cs,10.0,ABC6D2_cF40_225_a_b_d_c:Ag-Bi-Br-Cs +mp-1221573,MnInAgPd,-5.115891835,-0.1343576261,0.1133663664,0.1133663664,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Ag-In-Mn-Pd,4.0,ABCD_cF16_216_a_c_d_b:Ag-In-Mn-Pd +mp-1096039,MnAgPd2,-3.5941740775,1.9944096514,2.1800813608,2.1800813608,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Mn-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Mn-Pd +mp-1096056,InAgPd2,-2.5101969725,1.4758038658,1.8628408827,1.8628408827,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-In-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-In-Pd +mp-1112002,Cs2TlGaCl6,-3.654159013,-1.8268826257,0.0533193467,0.0533193467,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Tl +mp-1114116,Rb2TlAsBr6,-3.256773673,-1.4266737053,0.0104911665,0.0104911665,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Rb-Tl +mp-1110743,Rb2NaBiBr6,-3.348288062,-1.7040628072,0.0313966624,0.0313966624,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Na-Rb +mp-1093904,RbNa2Bi,-1.2077452975,0.6587731498,1.0237709758,1.0237709758,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Na-Rb,4.0,AB2C_oI8_71_a_e_b:Bi-Na-Rb +mp-1186887,RbNa2Bi,-2.2227833425,-0.3562648952,0.0087329308,0.0087329308,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Na-Rb,4.0,AB2C_cF16_225_a_c_b:Bi-Na-Rb +mp-989545,Rb2NaSbCl6,-3.727937124,-1.8775556602,0.0,-0.025974053,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Sb +mp-1221820,Mn2InSnPd4,-6.1329476288,-0.4073459526,0.0,-0.00510596,GGA,R-3m,AB2C4D_hR24_166_a_c_2c_b:In-Mn-Pd-Sn,8.0,"Invalid WP multiplicities - AB2C4D_hR24_166_a_c_3c_b:In-Mn-Pd-Sn, expected Mn2InSnPd6 to be Mn2InSnPd4" +mp-28920,Tl5Se2Cl,-3.3048055662,-0.7231086477,0.0,-0.051158408,GGA,P4/ncc,AB2C5_tP32_130_c_f_cg:Cl-Se-Tl,32.0,AB2C5_tP32_130_c_f_cg:Cl-Se-Tl +mp-1217182,Tl5Re6Se8Cl7,-5.9101487825,-1.0106323485,0.0017067225,0.0017067225,GGA,R3c,A7B6C8D5_hR156_161_a2b_2b_2a2b_2ab:Cl-Re-Se-Tl,52.0,A7B6C8D5_hR156_161_a2b_2b_2a2b_2ab:Cl-Re-Se-Tl +mp-616190,Tl2(ReSe2)3,-6.407406343,-0.6770120962,0.0,-0.0607587637,GGA,C2/c,A3B6C2_mC88_15_3f_6f_2ef:Re-Se-Tl,44.0,"Invalid WP multiplicities - A3B6C2_mC88_15_9f_21f_4e3f:Re-Se-Tl, expected Tl5(Re3Se7)3 to be Tl2(ReSe2)3" +mp-23635,TlRe6Se8Cl3,-7.0150837094,-0.8738221507,0.0,-0.0088267556,GGA,P-1,A3B6C8D_aP36_2_3i_6i_8i_i:Cl-Re-Se-Tl,36.0,"Invalid WP multiplicities - A3B6C8D_aP36_2_5i_7i_12i_i:Cl-Re-Se-Tl, expected TlRe7Se12Cl5 to be TlRe6Se8Cl3" +mp-23144,TlRe3(Se2Cl)2,-6.655560282,-0.9178658888,0.000974261,0.000974261,GGA,P-1,A2B3C4D_aP20_2_2i_3i_4i_i:Cl-Re-Se-Tl,20.0,"Invalid WP multiplicities - A2B3C4D_aP20_2_4i_4i_7i_i:Cl-Re-Se-Tl, expected TlRe4Se7Cl4 to be TlRe3(Se2Cl)2" +mp-29776,Ce4Ge9Rh13,-7.02335101,-0.8281352552,0.0,-0.0436074647,GGA,Pmmn,A4B9C13_oP52_59_abe_2ab3e_2ab5e:Ce-Ge-Rh,52.0,A4B9C13_oP52_59_abe_2ab3e_2ab5e:Ce-Ge-Rh +mp-510315,Ce(GeIr)2,-7.357519538,-0.7863168930000001,0.0,-0.0831358942,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ge-Ir,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_ac_2b2c:Ce-Ge-Ir, expected Ce(GeIr2)2 to be Ce(GeIr)2" +mp-1103596,Ce(Ge2Rh3)2,-6.9809192218,-0.7435512405,0.0,-0.0549365489,GGA,P-6m2,AB4C6_hP11_187_a_ck_jk:Ce-Ge-Rh,11.0,AB4C6_hP11_187_a_ck_jk:Ce-Ge-Rh +mp-1226896,Ce2Ge2IrRh,-7.117351505,-0.8981888267,0.0,-0.00118279,GGA,Pmc2_1,A2B2CD_oP12_26_ab_ab_a_b:Ce-Ge-Ir-Rh,12.0,A2B2CD_oP12_26_ab_ab_a_b:Ce-Ge-Ir-Rh +mp-13122,CeGe3Ir,-6.383733436,-0.655612056,0.0,-0.0355218945,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ce-Ge-Ir,5.0,AB3C_tI10_107_a_ab_a:Ce-Ge-Ir +mp-5577,Ce(GeRh)2,-6.838483472,-0.8569313510000001,0.0,-0.0199681183,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Rh +mp-1214716,Ce5Ge2Ir,-6.6248402241,-0.6560982659,0.0,-0.0287935739,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Ce-Ge-Ir,32.0,A5B2C_oP32_62_3cd_d_c:Ce-Ge-Ir +mp-1188091,Ce2Ge5Ir3,-6.896214922,-0.7465529095,0.0,-0.025588435,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Ir,20.0,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Ir +mp-505282,CeGeRh,-6.8806438975,-0.9071689375,0.0,-0.0321882822,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ge-Rh,12.0,ABC_oP12_62_c_c_c:Ce-Ge-Rh +mp-21597,Ce3(GeRh)2,-6.8215776493,-0.85387209,0.0,-0.0280103694,GGA,Pbcm,A3B2C2_oP28_57_de_cd_e:Ce-Ge-Rh,28.0,A3B2C2_oP28_57_de_cd_e:Ce-Ge-Rh +mp-13121,CeGe3Rh,-6.122171596,-0.688875478,0.0,-0.0291584342,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ce-Ge-Rh,5.0,AB3C_tI10_107_a_ab_a:Ce-Ge-Rh +mp-542005,Ce5Ge2Rh,-6.4084092844,-0.623933115,0.0,-0.024115861,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Ce-Ge-Rh,32.0,A5B2C_oP32_62_3cd_d_c:Ce-Ge-Rh +mp-1198260,Ce3Ge13Ir4,-6.1893325025,-0.5267141875,0.0104652813,0.0104652813,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Ir,40.0,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Ir +mp-1106369,Ce2Ge5Rh3,-6.5134173525,-0.805993233,0.0,-0.0330898185,GGA,Ibam,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Rh,20.0,A2B5C3_oI40_72_j_afj_bj:Ce-Ge-Rh +mp-1226813,Ce2Ge3Rh,-6.29429981,-0.7777048525,0.0010861177,0.0010861177,GGA,Pmm2,A2B3C_oP6_25_bd_a2c_a:Ce-Ge-Rh,6.0,A2B3C_oP6_25_bd_a2c_a:Ce-Ge-Rh +mp-1226876,Ce2Ge3Rh,-6.28185112,-0.7652561625000001,0.0135348077,0.0135348077,GGA,Imm2,A2B3C_oI12_44_ab_a2b_a:Ce-Ge-Rh,6.0,A2B3C_oI12_44_ab_a2b_a:Ce-Ge-Rh +mp-1206300,Ce3(GeRh)4,-6.8655597755,-0.8884133786,0.0,-0.0040797077,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:Ce-Ge-Rh,11.0,A3B4C4_oI22_71_af_ef_ef:Ce-Ge-Rh +mp-20022,CeGeIr,-7.3516935325,-0.8868431358000001,0.0,-0.1219301715,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ge-Ir,12.0,ABC_oP12_62_c_c_c:Ce-Ge-Ir +mp-1112894,Cs2InAsCl6,-3.672572443,-1.6432897591,0.1132990545,0.1132990545,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-In +mp-1022093,Mg6CoCu,-2.4724668812,0.1286837144,0.1794296634,0.1794296634,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Cu-Mg, expected Mg12CoCu to be Mg6CoCu" +mp-1022141,Mg6CoCu,-2.5260239825,0.0751266131,0.1258725622,0.1258725622,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Cu-Mg, expected Mg12CoCu to be Mg6CoCu" +mp-1180322,MgCoCu3Se4,-4.3739338344,-0.4861711938,0.1386086845,0.1386086845,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Mg-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Mg-Se +mp-1027849,Mg14CoCu,-2.021448585,0.0792667378,0.1046397123,0.1046397123,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Cu-Mg, expected Mg26CoCu to be Mg14CoCu" +mp-1093817,Cs2HgAu,-1.12825969,0.2138320873,0.4755490169,0.4755490169,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cs-Hg,4.0,AB2C_oI8_71_a_e_b:Au-Cs-Hg +mp-1113305,Cs2HgAuBr6,-2.742306815,-1.2736531061,0.0634756725,0.0634756725,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Hg +mp-1219760,Rb2Cd3SnAs4,-3.0420984,-0.30452011,0.0,-0.0094499329,GGA,Cm,A4B3C2D_mC20_8_4a_3a_2a_a:As-Cd-Rb-Sn,10.0,A4B3C2D_mC20_8_4a_3a_2a_a:As-Cd-Rb-Sn +mp-676728,CdSnAs2,-3.4498528725,0.1128217338,0.2446031225,0.2006601049,GGA,Cm,A2BC_mC48_8_12a_6a_6a:As-Cd-Sn,24.0,A2BC_mC48_8_12a_6a_6a:As-Cd-Sn +mp-1226725,CdSnAs2,-3.6722446825,-0.1095700763,0.0222113125,-0.0217317051,GGA,P-4m2,A2BC_tP4_115_g_a_c:As-Cd-Sn,4.0,A2BC_tP4_115_g_a_c:As-Cd-Sn +mp-3829,CdSnAs2,-3.694455995,-0.1317813888,0.0,-0.0439430176,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Cd-Sn,8.0,A2BC_tI16_122_d_a_b:As-Cd-Sn +mp-1226747,CdSnAs2,-3.5560608275,0.0066137787,0.1383951675,0.0944521499,GGA,R-3m,A2BC_hR12_166_c_a_b:As-Cd-Sn,4.0,A2BC_hR12_166_c_a_b:As-Cd-Sn +mp-8931,Rb2SnAs2,-3.469405326,-0.411629964,0.0,-0.0571440368,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-Rb-Sn,10.0,A2B2C_oI20_72_j_j_a:As-Rb-Sn +mp-1192409,Rb(SnAs)3,-4.1092079968,-0.2539787321,0.0,-0.0476315837,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:As-Rb-Sn,28.0,A3BC3_oP28_62_3c_c_3c:As-Rb-Sn +mp-1213290,Dy5CuPb3,-4.74291624,-0.4905737867,0.0,-0.0006543312,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Dy-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cu-Dy-Pb +mp-601257,DyCuPbSe3,-5.0579858029,-1.2402566341,0.0,-0.0097708079,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Dy-Pb-Se,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_9c:Cu-Dy-Pb-Se, expected DyCuPbSe9 to be DyCuPbSe3" +mp-22085,DyCuPb,-4.5292393283,-0.3896924683,0.0,-0.0508855105,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Dy-Pb,6.0,ABC_hP6_186_b_a_b:Cu-Dy-Pb +mp-1077175,DyCuPb,-4.47407431,-0.33452745,0.0551650183,0.0042795079,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Dy-Pb,6.0,ABC_hP6_194_c_a_d:Cu-Dy-Pb +mp-1223963,InGa4Sb5,-3.745231483,-0.194324081,0.049715383,0.049715383,GGA,R3m,A4BC5_hR30_160_4a_a_5a:Ga-In-Sb,10.0,A4BC5_hR30_160_4a_a_5a:Ga-In-Sb +mp-1228890,AlInSb2,-3.9150862625,-0.2262707525,0.00602871,0.00602871,GGA,P-4m2,ABC2_tP4_115_a_c_g:Al-In-Sb,4.0,ABC2_tP4_115_a_c_g:Al-In-Sb +mp-1228866,AlInSb2,-3.8928655825,-0.2040500725,0.02824939,0.02824939,GGA,R3m,ABC2_hR12_160_a_a_2a:Al-In-Sb,4.0,ABC2_hR12_160_a_a_2a:Al-In-Sb +mp-1228691,Al4GaSb5,-4.111233637,-0.2456930827,0.009260069,0.009260069,GGA,Imm2,A4BC5_oI20_44_2c_a_b2c:Al-Ga-Sb,10.0,"Invalid WP multiplicities - A4BC5_oI20_44_3c_a_b3c:Al-Ga-Sb, expected Al6GaSb7 to be Al4GaSb5" +mp-1223638,InGaSb2,-3.7311321275,-0.2216865694,0.0092509725,0.0092509725,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ga-In-Sb,4.0,ABC2_tP4_115_a_c_g:Ga-In-Sb +mp-1223646,InGaSb2,-3.7077620775,-0.1983165194,0.0326210225,0.0326210225,GGA,R3m,ABC2_hR12_160_a_a_2a:Ga-In-Sb,4.0,ABC2_hR12_160_a_a_2a:Ga-In-Sb +mp-1228917,AlInGaSb3,-3.872254295,-0.2201944112,0.0189299233,0.0189299233,GGA,Imm2,ABCD3_oI12_44_a_a_a_3b:Al-Ga-In-Sb,6.0,ABCD3_oI12_44_a_a_a_3b:Al-Ga-In-Sb +mp-1228895,AlGaSb2,-4.0000482375,-0.2421296544,0.012006345,0.012006345,GGA,R3m,ABC2_hR12_160_a_a_2a:Al-Ga-Sb,4.0,ABC2_hR12_160_a_a_2a:Al-Ga-Sb +mp-1079468,ZnCu2SnTe4,-3.6898084287,-0.4346893815,0.0098068885,0.0098068885,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Sn-Te-Zn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Sn-Te-Zn +mp-1113498,Rb2LaAuCl6,-4.177626906,-2.051409185,0.1452823861,0.1452823861,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-La-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-La-Rb +mp-1112506,Cs2AlTlBr6,-3.445975293,-1.7242559229,0.056014387,0.056014387,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Tl +mp-567878,AlTlBr4,-3.5757633550000003,-1.5223746389,0.0,-0.0708062596,GGA,P2/c,AB4C_mP24_13_g_4g_ef:Al-Br-Tl,24.0,"Invalid WP multiplicities - AB4C_mP24_13_g_14g_2ef:Al-Br-Tl, expected Al2Tl3Br28 to be AlTlBr4" +mp-1094117,NaCdCuSe2,-3.1851949185,-0.5179059827,0.2840705975,0.2840705975,GGA,Pnma,ABCD2_oP20_62_c_c_c_2c:Cd-Cu-Na-Se,20.0,ABCD2_oP20_62_c_c_c_2c:Cd-Cu-Na-Se +mp-28851,Na4Cd3Se5,-3.1848623748,-1.056668388,0.0,-0.0192385073,GGA,Pnma,A3B4C5_oP48_62_3c_4c_5c:Cd-Na-Se,48.0,"Invalid WP multiplicities - A3B4C5_oP48_62_3c_4c_8c:Cd-Na-Se, expected Na4Cd3Se8 to be Na4Cd3Se5" +mp-1225568,ErTiFe11,-8.2074588515,-0.0818093026,0.0142228833,0.0142228833,GGA,Imm2,AB11C_oI26_44_a_a2b2ce_a:Er-Fe-Ti,13.0,AB11C_oI26_44_a_a2b2ce_a:Er-Fe-Ti +mp-1217752,TbEr(TiFe11)2,-8.2100386046,-0.0818256983,0.0072574518,0.0072574518,GGA,Cm,AB22CD2_mC52_8_a_14a4b_a_2a:Er-Fe-Tb-Ti,26.0,"Invalid WP multiplicities - AB22CD2_mC52_8_a_14a8b_a_2a:Er-Fe-Tb-Ti, expected TbEr(TiFe15)2 to be TbEr(TiFe11)2" +mp-1217506,TbTiFe11,-8.2016944892,-0.0709182256,0.0112158887,0.0112158887,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Tb-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Tb-Ti +mp-573935,CsYbZnSe3,-3.7552186908,-1.391470575,0.0802117317,0.0802117317,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Yb-Zn,,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Yb-Zn +mp-10746,Mg2Cu3Si,-3.7097603967,-0.2225107067,0.0,-0.0711405835,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Cu-Mg-Si,12.0,A3B2C_hP12_194_h_f_a:Cu-Mg-Si +mp-21612,Mg6Cu16Si7,-4.0666287448,-0.16434553,0.0,-0.0080565983,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Cu-Mg-Si,29.0,A16B6C7_cF116_225_2f_e_ad:Cu-Mg-Si +mp-1222135,Mg2CuSi3,-3.848352835,0.080933975,0.1980126794,0.1980126794,GGA,R-3m,AB2C3_hR18_166_a_c_d:Cu-Mg-Si,6.0,AB2C3_hR18_166_a_c_d:Cu-Mg-Si +mp-1022089,Mg6CuSi,-2.3098696112,0.0809060137,0.1797111878,0.1797111878,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Si,8.0,AB6C_oC16_38_a_abde_b:Cu-Mg-Si +mp-1022123,Mg6CuSi,-2.3142501712,0.0765254537,0.1753306278,0.1753306278,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:Cu-Mg-Si +mp-1192582,Mg2SiSe4,-4.4129096975,-1.1829776917,0.0,-0.0037503218,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mg-Se-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Mg-Se-Si +mp-1026882,Mg14CuSi,-1.9607767025,0.034751135,0.0951498677,0.0951498677,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Si, expected Mg18CuSi to be Mg14CuSi" +mp-1026863,Mg14CuSi,-1.959564185,0.0359636525,0.0963623852,0.0963623852,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Si, expected Mg26CuSi to be Mg14CuSi" +mp-1188827,MgCu2SiSe4,-4.417267115,-0.7663099487,0.0,-0.0045030234,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mg-Se-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mg-Se-Si +mp-1181597,CsCu3GeSe4,-3.9493285078,-0.4160289358,0.2125817833,0.2125817833,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Ge-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Ge-Se +mp-865100,NaInHg2,-1.34948451,-0.1790920716,0.0,-0.002570035,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Na,4.0,A2BC_cF16_225_c_a_b:Hg-In-Na +mp-1111740,Na2InHgBr6,-2.724426592,-1.2225681258,0.200429542,0.200429542,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-Na +mp-1226941,Ce4CoSi6Au,-6.266402905,-0.7108641888,0.0,-0.0467613929,GGA,P-6m2,AB4CD6_hP12_187_a_dk_e_2j:Au-Ce-Co-Si,12.0,AB4CD6_hP12_187_a_dk_e_2j:Au-Ce-Co-Si +mp-569496,Ce(SiAu2)2,-4.7306515143,-0.4621867693,0.0,-0.0670262014,GGA,Cmmm,A4BC2_oC14_65_gh_a_h:Au-Ce-Si,7.0,"Invalid WP multiplicities - A4BC2_oC14_65_2g2h_a_h:Au-Ce-Si, expected Ce(SiAu4)2 to be Ce(SiAu2)2" +mp-601420,Ce(SiAu2)2,-4.7152557325,-0.4467909875,0.0153957818,-0.0516304196,GGA,P-4m2,A4BC2_tP28_115_2e2f4g_bcg_2e2g:Au-Ce-Si,28.0,"Invalid WP multiplicities - A4BC2_tP28_115_4e4f7g_bcg_4e4g:Au-Ce-Si, expected Ce2Si8Au15 to be Ce(SiAu2)2" +mp-5173,Ce(SiAu)2,-5.219522638,-0.553224795,0.0,-0.0463155435,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Ce-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Ce-Si +mp-16237,La(SiAg)2,-4.729825804,-0.4394747697,0.0017646897,0.0017646897,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-La-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-La-Si +mp-6485,La3SiAgSe7,-5.6815736271,-1.7201339861,0.0,-0.0446654092,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b4c_b:Ag-La-Se-Si, expected La3SiAgSe13 to be La3SiAgSe7" +mp-1025390,LaSi2Ag,-5.2063491163,-0.5515493242,0.0,-0.0454735969,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ag-La-Si,8.0,ABC2_oC16_63_c_c_2c:Ag-La-Si +mp-1222760,LaSiAg,-4.8927238633000005,-0.4947634839,0.0095786233,0.0095786233,GGA,P-6m2,ABC_hP3_187_a_d_e:Ag-La-Si,3.0,ABC_hP3_187_a_d_e:Ag-La-Si +mp-1221146,Na4Si2PbSe6,-4.21436201,-1.0736809969,0.0,-0.0395291561,GGA,C2,A4BC6D2_mC26_5_a3b_a_3c_c:Na-Pb-Se-Si,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_5_a3b_a_4c_c:Na-Pb-Se-Si, expected Na4Si2PbSe8 to be Na4Si2PbSe6" +mp-1026712,NaMg14Si,-1.7788439894,0.0431412621,0.0852278953,0.0852278953,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Si, expected NaMg18Si to be NaMg14Si" +mp-1026703,NaMg14Si,-1.7641186312,0.0578666202,0.0999532534,0.0999532534,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Si, expected NaMg26Si to be NaMg14Si" +mp-1021165,NaMg6Si,-1.9389894469,0.1047010061,0.1649401132,0.1649401132,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Si, expected NaMg12Si to be NaMg6Si" +mp-1021166,NaMg6Si,-1.9405026144,0.1031878386,0.1634269457,0.1634269457,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Si, expected NaMg12Si to be NaMg6Si" +mp-1103351,Na4Mg(SiSe3)2,-4.1517499038,-1.1735586616,0.0,-0.0328297407,GGA,C2,AB4C6D2_mC26_5_a_a3b_3c_c:Mg-Na-Se-Si,13.0,AB4C6D2_mC26_5_a_a3b_3c_c:Mg-Na-Se-Si +mp-570053,Bi8AsAuCl9,-3.8379425322,-0.927745512,0.0,-0.0254137116,GGA,P2_1/c,ABC8D9_mP76_14_e_e_8e_9e:As-Au-Bi-Cl,76.0,"Invalid WP multiplicities - ABC8D9_mP76_14_e_e_27e_35e:As-Au-Bi-Cl, expected Bi27AsAuCl35 to be Bi8AsAuCl9" +mp-1079096,Cs2NaLaBr6,-3.981550784,-2.2448000717,0.006555198,0.006555198,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-La-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-La-Na +mp-1209492,Rb3HoCl6,-4.3672421305,-2.5057190257,0.0,-0.0237705838,GGA,C2/c,A6BC3_mC80_15_6f_ce_3f:Cl-Ho-Rb,40.0,A6BC3_mC80_15_6f_ae_3f:Cl-Ho-Rb +mp-1205794,Rb3HoCl6,-4.312721288,-2.4511981832,0.0545208425,0.0307502587,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Ho-Rb,10.0,A6BC3_cF40_225_e_a_bc:Cl-Ho-Rb +mp-1205883,Rb2LiHoCl6,-4.419217688,-2.4648557038,0.0022660991,0.0022660991,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ho-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ho-Li-Rb +mp-1209512,Rb2HoCl5,-4.5144874634,-2.5412174241,0.0084537586,0.0084537586,GGA,Pnma,A5BC2_oP32_62_a2cd_c_2c:Cl-Ho-Rb,32.0,A5BC2_oP32_62_a2cd_c_2c:Cl-Ho-Rb +mp-1209406,RbHo2Cl7,-4.9900384968,-2.6815276535,0.0,-0.0614759851,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:Cl-Ho-Rb,40.0,A7B2C_oP40_62_c3d_2c_c:Cl-Ho-Rb +mp-1213415,CuHg3As2Cl3,-2.7595263013,-0.551293573,0.015574412,0.015574412,GGA,C2/c,A2B3CD3_mC108_15_3f_c4f_ef_abe3f:As-Cl-Cu-Hg,54.0,A2B3CD3_mC108_15_3f_c4f_ef_abe3f:As-Cl-Cu-Hg +mp-1113597,Rb2CeCuBr6,-3.978419079,-1.847265684,0.062892717,0.062892717,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Cu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Cu-Rb +mp-1209654,Rb2CeBr5,-4.2052175388,-2.24780517,0.0,-0.0496954469,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Br-Ce-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Br-Ce-Rb +mp-1111470,Cs2PrCuCl6,-4.317087369,-2.1408736561,0.0537056696,0.0537056696,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Pr +mp-569879,Cs2Ta6PbCl18,-5.8676384367,-1.7963874191,0.0,-0.0195550664,GGA,R-3,A18B2CD6_hR81_148_3f_c_a_f:Cl-Cs-Pb-Ta,27.0,"Invalid WP multiplicities - A18B2CD6_hR81_148_11f_c_a_f:Cl-Cs-Pb-Ta, expected Cs2Ta6PbCl66 to be Cs2Ta6PbCl18" +mp-680159,CsTa6PbCl18,-5.958202591,-1.7648035486,0.0,-0.0046717721,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Pb-Ta,52.0,"Invalid WP multiplicities - A18BCD6_hP52_163_26i_c_d_i:Cl-Cs-Pb-Ta, expected CsTa6PbCl156 to be CsTa6PbCl18" +mp-1224982,GdTm(FeNi4)2,-7.058921755,-0.2478306281,0.0569286944,0.0569286944,GGA,Pmm2,A2BC8D_oP12_25_ab_a_abcd2h_b:Fe-Gd-Ni-Tm,12.0,"Invalid WP multiplicities - A2BC8D_oP12_25_ab_a_abcd4h_b:Fe-Gd-Ni-Tm, expected GdTm(FeNi6)2 to be GdTm(FeNi4)2" +mp-1224630,GdFeNi4,-7.8521923017,-0.2410772733,0.0475191633,0.0475191633,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Fe-Gd-Ni,6.0,ABC4_hP6_187_a_c_ek:Fe-Gd-Ni +mp-1112112,Cs2TlAsBr6,-3.289725431,-1.4766518034,0.0,-0.0297658115,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Tl +mp-10154,MnSbIr,-7.5806307067,-0.204147136,0.1265580927,0.1265580927,GGA,F-43m,ABC_cF12_216_c_a_b:Ir-Mn-Sb,3.0,ABC_cF12_216_c_a_b:Ir-Mn-Sb +mp-5396,MnCo2Sb,-7.02167915,-0.1447661195,0.0,-0.0030573025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mn-Sb,4.0,A2BC_cF16_225_c_a_b:Co-Mn-Sb +mp-1095842,Mn2CoIr,-5.496093015,3.0716026248,3.1859203622,3.1859203622,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ir-Mn,4.0,ABC2_oI8_71_a_b_e:Co-Ir-Mn +mp-13085,Mn2CoSb,-7.39867428,-0.0083368752,0.127506579,0.127506579,GGA,F-43m,AB2C_cF16_216_a_bc_d:Co-Mn-Sb,4.0,AB2C_cF16_216_a_bc_d:Co-Mn-Sb +mp-1221837,Mn7CoSb4,-7.2919251475,0.0212773358,0.1529148102,0.1529148102,GGA,P-4m2,AB7C4_tP12_115_a_bcd2g_2g:Co-Mn-Sb,12.0,"Invalid WP multiplicities - AB7C4_tP12_115_a_bcd3g_3g:Co-Mn-Sb, expected Mn9CoSb6 to be Mn7CoSb4" +mp-1221947,Mn4CoSb4Ir3,-7.4021481225,-0.1698409172,0.1389859142,0.1389859142,GGA,R3m,AB3C4D4_hR36_160_a_3a_4a_4a:Co-Ir-Mn-Sb,12.0,AB3C4D4_hR36_160_a_3a_4a_4a:Co-Ir-Mn-Sb +mp-1018803,MnCoSb,-6.9257591517,-0.1259810426,0.0551435629,0.0457257257,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Mn-Sb,6.0,ABC_tP6_129_a_c_c:Co-Mn-Sb +mp-5318,MnCoSb,-6.9691139367,-0.1693358276,0.0117887779,0.0023709407,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Mn-Sb,3.0,ABC_cF12_216_c_a_b:Co-Mn-Sb +mp-1221616,MnCoSb,-6.5519740733,0.2478040357,0.4289286412,0.419510804,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Mn-Sb,3.0,ABC_cF12_216_a_b_c:Co-Mn-Sb +mp-1221625,MnCoSb,-6.6599634267,0.1398146824,0.3209392879,0.3115214507,GGA,F-43m,ABC_cF12_216_a_c_b:Co-Mn-Sb,3.0,ABC_cF12_216_a_c_b:Co-Mn-Sb +mp-1221866,MnCoSb,-6.9618044213,-0.1620263122,0.0190982933,0.0096804561,GGA,F-43m,ABC_cF96_216_acf_2e_2e:Co-Mn-Sb,24.0,ABC_cF96_216_acf_2e_2e:Co-Mn-Sb +mp-570203,MnCoSb,-6.9809027146,-0.1811246056,0.0,-0.0094178372,GGA,Fm-3m,ABC_cF96_225_f_abd_ce:Co-Mn-Sb,24.0,"Invalid WP multiplicities - ABC_cF96_225_f_ab3d_2ce:Co-Mn-Sb, expected Mn10Co4Sb5 to be MnCoSb" +mp-1181967,CaCu3NiSe4,-4.39316161,-0.6079391122000001,0.1925618153,0.1925618153,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Ni-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Ni-Se +mp-1190516,CsSm2Ag3Te5,-4.2328061727,-1.0921905256,0.0,-0.0278326089,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Sm-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Sm-Te +mp-1221816,Mn2NiSb2Pt,-6.7436788883,-0.3381283776,0.011411635,0.011411635,GGA,R3m,A2BCD2_hR18_160_2a_a_a_2a:Mn-Ni-Pt-Sb,6.0,A2BCD2_hR18_160_2a_a_a_2a:Mn-Ni-Pt-Sb +mp-1221833,Mn2NiSb2Pt,-6.3755683067,0.029982204,0.3795222167,0.3795222167,GGA,R3m,A2BCD2_hR18_160_2a_a_a_2a:Mn-Ni-Pt-Sb,6.0,A2BCD2_hR18_160_2a_a_a_2a:Mn-Ni-Pt-Sb +mp-1181975,CaCoCu3Se4,-4.5585250233,-0.6257268460000001,0.1699254945,0.1699254945,GGA,P-43m,ABC3D4_cP9_215_a_b_c_e:Ca-Co-Cu-Se,9.0,ABC3D4_cP9_215_a_b_c_e:Ca-Co-Cu-Se +mp-1147527,CaCoSe2,-4.9903836325,-0.9639484749,0.4225460317,0.4225460317,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ca-Co-Se,4.0,ABC2_tP4_115_a_c_g:Ca-Co-Se +mp-862750,SrNiSn2,-4.3539175163,-0.4817240554,0.0,-0.010542698,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Sn-Sr,8.0,"Invalid WP multiplicities - AB2C_oC16_63_c_3c_c:Ni-Sn-Sr, expected SrNiSn3 to be SrNiSn2" +mp-20726,SrCaSn,-3.2436702508,-0.6754485214,0.0,-0.0421623054,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Sn-Sr,12.0,ABC_oP12_62_c_c_c:Ca-Sn-Sr +mp-962065,SrCaSn,-2.62409935,-0.0558776206,0.6195709008,0.5774085954,GGA,F-43m,ABC_cF12_216_a_b_c:Ca-Sn-Sr,3.0,ABC_cF12_216_a_b_c:Ca-Sn-Sr +mp-510484,Ca(Ni2Sn)2,-5.0809156179,-0.345874145,0.0,-0.0486838343,GGA,I4/mcm,AB4C2_tI28_140_a_l_h:Ca-Ni-Sn,14.0,AB4C2_tI28_140_a_l_h:Ca-Ni-Sn +mp-1218541,Sr3CaSn16,-3.8698398355,-0.3084783395,0.018539022,0.018539022,GGA,Imm2,AB16C3_oI40_44_a_ab7c_bc:Ca-Sn-Sr,20.0,"Invalid WP multiplicities - AB16C3_oI40_44_a_ab12c_bc:Ca-Sn-Sr, expected Sr3CaSn26 to be Sr3CaSn16" +mp-1218470,SrCa(Ni2Sn)4,-5.042443875,-0.3299814326,0.0012239425,0.0012239425,GGA,I422,AB8C4D_tI28_97_a_k_j_b:Ca-Ni-Sn-Sr,14.0,AB8C4D_tI28_97_a_k_j_b:Ca-Ni-Sn-Sr +mp-30805,SrNiSn3,-4.335368846,-0.4356997063,0.0,-0.030212368,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ni-Sn-Sr,5.0,AB3C_tI10_107_a_ab_a:Ni-Sn-Sr +mp-18127,Sr(Ni2Sn)2,-5.0064200171,-0.3165366052,0.0,-0.0175482014,GGA,I4/mcm,A4B2C_tI28_140_l_h_a:Ni-Sn-Sr,14.0,A4B2C_tI28_140_l_h_a:Ni-Sn-Sr +mp-31158,Ca7Ni4Sn13,-4.2089368358,-0.4887626694,0.0,-0.0146071756,GGA,P4/m,A7B4C13_tP24_83_afk_j_c2jk:Ca-Ni-Sn,24.0,"Invalid WP multiplicities - A7B4C13_tP24_83_afk_j_c7j3k:Ca-Ni-Sn, expected Ca7Ni4Sn41 to be Ca7Ni4Sn13" +mp-1218852,Sr2CaSn5,-3.7256169881,-0.5465612304,0.0061687981,0.0061687981,GGA,Cmcm,AB5C2_oC32_63_c_cfg_e:Ca-Sn-Sr,16.0,AB5C2_oC32_63_c_cfg_e:Ca-Sn-Sr +mp-1182814,Ga(MoSe2)4,-5.8448936092,-0.1235098951,0.8070127532,0.8070127532,GGA,Cm,AB4C8_mC26_8_a_2ab_4a2b:Ga-Mo-Se,13.0,AB4C8_mC26_8_a_2ab_4a2b:Ga-Mo-Se +mp-567394,Ga(MoSe2)4,-6.5967342723,-0.8753505582000001,0.0551720902,0.0551720902,GGA,R3m,AB4C8_hR39_160_a_ab_2a2b:Ga-Mo-Se,13.0,"Invalid WP multiplicities - AB4C8_hR39_160_a_a2b_2a4b:Ga-Mo-Se, expected Ga(MoSe2)7 to be Ga(MoSe2)4" +mp-5584,Ga(MoSe2)4,-6.5920358623,-0.8706521482,0.0598705002,0.0598705002,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Ga-Mo-Se,13.0,"Invalid WP multiplicities - AB4C8_cF52_216_a_e_3e:Ga-Mo-Se, expected Ga(MoSe3)4 to be Ga(MoSe2)4" +mp-14432,GaTe4(MoSe)4,-6.3428293223,-0.7299396341000001,0.0116655154,0.0116655154,GGA,F-43m,AB4C4D4_cF52_216_a_e_e_e:Ga-Mo-Se-Te,13.0,AB4C4D4_cF52_216_a_e_e_e:Ga-Mo-Se-Te +mp-1189376,Ba2SmGaSe5,-5.1373002344,-1.9079458538,0.0,-0.0006854403,GGA,P-1,A2BC5D_aP18_2_2i_i_5i_i:Ba-Ga-Se-Sm,18.0,A2BC5D_aP18_2_2i_i_5i_i:Ba-Ga-Se-Sm +mp-1219495,Sm9Ga5Se21,-5.4223298503,-1.6788470972,0.0272942756,0.0272942756,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Ga-Se-Sm,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Ga-Se-Sm, expected Sm24Ga5Se51 to be Sm9Ga5Se21" +mp-1197056,Sm(GaSe2)2,-4.7374746679,-1.2005569406,0.121499153,0.121499153,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:Ga-Se-Sm,56.0,A2B4C_oF224_70_2h_4h_abe:Ga-Se-Sm +mp-1112904,Cs2InHgCl6,-3.292836789,-1.6990979091,0.0547095755,0.0547095755,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-In,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-In +mp-1179715,RbHfCu3Se4,-4.9505821822,-0.8151389574,0.1269102559,0.1269102559,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Hf-Rb-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Hf-Rb-Se +mp-1223229,La2Ge4IrRh3,-6.814177854,-0.8846295120000001,0.0,-0.0028033285,GGA,P-4m2,A4BC2D3_tP10_115_2g_a_g_bcd:Ge-Ir-La-Rh,10.0,"Invalid WP multiplicities - A4BC2D3_tP10_115_4g_a_g_bcd:Ge-Ir-La-Rh, expected La2Ge8IrRh3 to be La2Ge4IrRh3" +mp-1096128,La2IrRh,-5.3239763125,1.1947127525,1.9180410488,1.9180410488,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-La-Rh,4.0,AB2C_oI8_71_a_e_b:Ir-La-Rh +mp-1114086,Rb2TlHgBr6,-2.781391095,-1.3868349313,0.0147710275,0.0147710275,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Tl +mp-1188239,Pr2Ni3Ge5,-5.647351586,-0.6456155035000001,0.0107219472,0.0107219472,GGA,Ibam,A5B3C2_oI40_72_afj_bj_j:Ge-Ni-Pr,20.0,A5B3C2_oI40_72_afj_bj_j:Ge-Ni-Pr +mp-1080775,PrInNi2,-5.1641317787,-0.3909160675,0.0,-0.0245701581,GGA,Pmma,AB2C_oP8_51_e_af_f:In-Ni-Pr,8.0,AB2C_oP8_51_e_af_f:In-Ni-Pr +mp-1103115,PrNiGe,-5.7194704517,-0.6581136883,0.0171531499,0.0171531499,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Pr,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Pr +mp-1080181,Pr2InNi2,-5.183476215,-0.408722495,0.0,-0.0236677573,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Ni-Pr,10.0,AB2C2_tP10_127_a_g_h:In-Ni-Pr +mp-1200597,Pr4In8Ni7,-4.6697141629,-0.3750799724,0.0014170803,0.0014170803,GGA,Cmmm,A8B7C4_oC76_65_acg2h2p_ip2q_gjq:In-Ni-Pr,38.0,A8B7C4_oC76_65_acg2h2p_ip2q_gjq:In-Ni-Pr +mp-1219874,Pr2NiGe3,-5.5008107933,-0.6323055008,0.141910215,0.141910215,GGA,P-6m2,A3BC2_hP6_187_abc_d_i:Ge-Ni-Pr,6.0,A3BC2_hP6_187_abc_d_i:Ge-Ni-Pr +mp-1219850,Pr2NiGe4,-5.5210285457,-0.6875914586,0.0223734557,0.0223734557,GGA,Amm2,A4BC2_oC14_38_2a2b_a_ab:Ge-Ni-Pr,,A4BC2_oC14_38_2a2b_a_ab:Ge-Ni-Pr +mp-1198662,PrIn2Ni,-4.4303379955,-0.4142355217,0.0141329839,0.0141329839,GGA,Cmcm,A2BC_oC80_63_2c4f_c2f_c2f:In-Ni-Pr,40.0,A2BC_oC80_63_2c4f_c2f_c2f:In-Ni-Pr +mp-1191416,PrIn2Ni9,-5.3888995775,-0.1967742996,0.0,-0.0080359317,GGA,P4/mbm,A2B9C_tP24_127_g_cjk_a:In-Ni-Pr,24.0,A2B9C_tP24_127_g_cjk_a:In-Ni-Pr +mp-13073,PrNiGe3,-5.481115865,-0.5950906650000001,0.000252171,0.000252171,GGA,Cmmm,A3BC_oC20_65_2gh_g_h:Ge-Ni-Pr,10.0,A3BC_oC20_65_2gh_g_h:Ge-Ni-Pr +mp-616210,Pr5In11Ni6,-4.4247367741,-0.3859245066,0.0193881512,0.0193881512,GGA,Cmmm,A11B6C5_oC44_65_cghip_iq_aq:In-Ni-Pr,22.0,"Invalid WP multiplicities - A11B6C5_oC44_65_c2gij4p_2g2q_aq:In-Ni-Pr, expected Pr5In25Ni12 to be Pr5In11Ni6" +mp-1079387,PrInNi,-4.8755267478,-0.4379513594,0.0,-0.0073192019,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Ni-Pr,9.0,ABC_hP9_189_f_bc_g:In-Ni-Pr +mp-1179946,PrInNi,-4.7554684733,-0.317893085,0.1200582744,0.1127390725,GGA,P-62m,ABC_hP9_189_f_ac_g:In-Ni-Pr,9.0,ABC_hP3_187_a_c_f:In-Ni-Pr +mp-1220025,Pr2In3Ni,-4.338815145,-0.405981915,0.0672253354,0.0672253354,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:In-Ni-Pr,6.0,A3BC2_oP6_25_a2b_a_cd:In-Ni-Pr +mp-1220063,Pr7In6Ni5Ge3,-5.0029621505,-0.5864759776,0.0,-0.0220649917,GGA,P-6,A3B6C5D7_hP21_174_k_2k_ack_e2j:Ge-In-Ni-Pr,21.0,A3B6C5D7_hP21_174_k_2k_ack_e2j:Ge-In-Ni-Pr +mp-10221,Pr3(NiGe)4,-5.7284967955,-0.6416444859,0.0575350182,0.0291101882,GGA,Immm,A4B4C3_oI22_71_ef_ef_af:Ge-Ni-Pr,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_2ef_ef_af:Ge-Ni-Pr, expected Pr3(Ni2Ge3)2 to be Pr3(NiGe)4" +mp-1103090,Pr3(NiGe)4,-5.7860318136,-0.6991795041000001,0.0,-0.02842483,GGA,Immm,A4B4C3_oI22_71_ef_ef_af:Ge-Ni-Pr,11.0,A4B4C3_oI22_71_ef_ef_af:Ge-Ni-Pr +mp-1209802,Pr3NiGe2,-5.5977402379,-0.7029219621,0.0,-0.018487144,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Pr,24.0,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Pr +mp-20715,Pr2InGe2,-5.045957821,-0.734047631,0.0,-0.0247944428,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-In-Pr,10.0,A2BC2_tP10_127_g_a_h:Ge-In-Pr +mp-862840,Pr11In9Ni4,-4.6554047292,-0.468918746,0.0,-0.0141841092,GGA,Cmmm,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Pr,24.0,A9B4C11_oC48_65_c2q_q_a2gip:In-Ni-Pr +mp-1186507,PrNi9Ge4,-5.7817675732,-0.4036070521,0.0107179961,0.0107179961,GGA,I4/mcm,A4B9C_tI56_140_l_dkl_a:Ge-Ni-Pr,28.0,A4B9C_tI56_140_l_dkl_a:Ge-Ni-Pr +mp-1102576,PrIn4Ni,-3.9571070583,-0.3624774992,0.00632119,0.00632119,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Ni-Pr,12.0,A4BC_oC24_63_acf_c_c:In-Ni-Pr +mp-975655,PrNiGe2,-5.6959530812,-0.744178545,0.0,-0.0572819204,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Pr,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Pr +mp-5819,Pr(NiGe)2,-5.803370822,-0.685923857,0.0,-0.0587006531,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Pr,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Pr +mp-1207027,Pr2NiGe6,-5.3083859544,-0.5217064744000001,0.0304884589,0.0304884589,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Pr,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Pr +mp-1220212,Pr3(Ni9Ge4)4,-5.5072846818,-0.1182649832,0.2797338696,0.2797338696,GGA,P422,A16B36C3_tP55_89_2p_i4p_abc:Ge-Ni-Pr,55.0,"Invalid WP multiplicities - A16B36C3_tP55_89_11p_i32p_abc:Ge-Ni-Pr, expected Pr3(Ni65Ge22)4 to be Pr3(Ni9Ge4)4" +mp-1112893,Cs2InAsBr6,-3.308932423,-1.4569547371,0.0272233713,0.0272233713,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-In +mp-505712,CsHoZnSe3,-4.5208497442,-1.6499681967000002,0.0,-0.1305800096,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Ho-Se-Zn,12.0,ABC3D_oC24_63_c_a_cf_c:Cs-Ho-Se-Zn +mp-862772,CsNd2CuSe4,-5.2928943831,-1.7285756559,0.0,-0.0790458997,GGA,Cmcm,ABC2D4_oC32_63_c_c_f_acf:Cs-Cu-Nd-Se,16.0,ABC2D4_oC32_63_c_c_f_acf:Cs-Cu-Nd-Se +mp-14092,AlAgTe2,-3.78725612,-0.571070215,0.0,-0.0548137805,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Al-Te,8.0,ABC2_tI16_122_a_b_d:Ag-Al-Te +mp-1228728,Al4InAgTe8,-3.8997224764,-0.6345088907,0.0108375545,0.0108375545,GGA,C2,AB4CD8_mC28_5_a_abc_b_4c:Ag-Al-In-Te,14.0,"Invalid WP multiplicities - AB4CD8_mC28_5_a_abc_b_8c:Ag-Al-In-Te, expected Al4InAgTe16 to be Al4InAgTe8" +mp-1114075,Rb2AlInBr6,-3.419294449,-1.6416446805,0.069586409,0.069586409,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-In-Rb +mp-10863,Li4Yb5Ge4,-3.1159686454,-0.5139806233,0.01435972,0.01435972,GGA,I4/m,A4B4C5_tI26_87_h_h_ah:Ge-Li-Yb,,"Invalid WP multiplicities - A4B4C5_tI26_87_h_h_a2h:Ge-Li-Yb, expected Li4Yb9Ge4 to be Li4Yb5Ge4" +mp-646071,Li(YbGe)4,-3.5319326458,-0.5808807118,0.0321596204,0.0321596204,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Yb,,"Invalid WP multiplicities - A4BC4_oP36_62_7c4d_c_8d:Ge-Li-Yb, expected LiYb16Ge15 to be Li(YbGe)4" +mp-1185190,Li2YbIn,-2.2853247375,-0.2580403017,0.0139194794,0.0139194794,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Yb,,AB2C_cF16_225_a_c_b:In-Li-Yb +mp-680614,LiYb8Ge13,-3.6915622989,-0.3131463342,0.2604172017,0.2604172017,GGA,P2_1/c,A13BC8_mP88_14_13e_e_8e:Ge-Li-Yb,,"Invalid WP multiplicities - A13BC8_mP88_14_48e_e_28e:Ge-Li-Yb, expected Li(Yb7Ge12)4 to be LiYb8Ge13" +mp-1182665,LiYb8Ge13,-3.7879763305,-0.4095603658,0.1640031701,0.1640031701,GGA,P2_1/c,A13BC8_mP88_14_13e_e_8e:Ge-Li-Yb,,"Invalid WP multiplicities - A13BC8_mP88_14_48e_e_28e:Ge-Li-Yb, expected Li(Yb7Ge12)4 to be LiYb8Ge13" +mp-1203855,LiYb8Ge13,-3.950090504,-0.5716745394,0.0018889966,0.0018889966,GGA,P2_1/c,A13BC8_mP88_14_13e_e_8e:Ge-Li-Yb,,A13BC8_mP88_14_13e_e_8e:Ge-Li-Yb +mp-865735,Li2YbGe,-2.931106105,-0.4359856379,0.0042950924,0.0042950924,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Yb,,AB2C_cF16_225_a_c_b:Ge-Li-Yb +mp-11944,LiYbGe2,-3.7303080938,-0.5566613796000001,0.0,-0.055151038,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-Li-Yb,,A2BC_oP16_62_2c_c_c:Ge-Li-Yb +mp-977355,LiYb2InGe2,-3.4391915029,-0.6082116918,0.0,-0.0672360293,GGA,Pnma,A2BCD2_oP24_62_2c_c_c_2c:Ge-In-Li-Yb,,A2BCD2_oP24_62_2c_c_c_2c:Ge-In-Li-Yb +mp-8482,LiYbGe,-3.1684045489,-0.4778848817,0.0408174441,0.0408174441,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Yb,,ABC_hP9_189_ad_g_f:Ge-Li-Yb +mp-1185254,LiYb2In,-2.2098145425,-0.2748587533,0.0094842208,0.0094842208,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Yb,,ABC2_cF16_225_a_b_c:In-Li-Yb +mp-1214758,Ba4Zn11Ge12,-2.9907070498,-0.1385065413,0.1530510504,0.1530510504,GGA,Pm-3n,A4B12C11_cP54_223_ac_k_di:Ba-Ge-Zn,54.0,A4B12C11_cP54_223_ac_k_di:Ba-Ge-Zn +mp-1206924,Ba(ZnGe)2,-3.12356091,-0.386657336,0.0,-0.0422927461,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Ge-Zn,5.0,AB2C2_tI10_139_a_e_d:Ba-Ge-Zn +mp-11818,BaZnGe,-3.09114623,-0.490564095,0.0,-0.048835767,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Ge-Zn,6.0,ABC_hP6_194_a_c_d:Ba-Ge-Zn +mp-1229043,Ba4Zn2CuGe20,-4.2378582506,-0.2839637783,0.0,-0.022440759,GGA,Ama2,A4BC20D2_oC108_40_a3b_b_4b8c_ab:Ba-Cu-Ge-Zn,54.0,"Invalid WP multiplicities - A4BC20D2_oC108_40_2a3b_b_8b28c_2ab:Ba-Cu-Ge-Zn, expected Ba5Zn3CuGe64 to be Ba4Zn2CuGe20" +mp-1179752,RbCu3SnSe4,-3.8632613033,-0.3886644313,0.262433349,0.262433349,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Sn,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Sn +mp-1207209,Ce(CrSi)2,-7.56385267,-0.345888639,0.114130624,0.114130624,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Cr-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Cr-Si +mp-1226532,CeMnCrSi2,-7.56949515,-0.4497375546,0.0617533362,0.0617533362,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Cr-Mn-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Cr-Mn-Si +mp-10179,LiMgSbPd,-3.7806523,-0.5761308083000001,0.087820765,0.087820765,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Li-Mg-Pd-Sb,4.0,ABCD_cF16_216_a_c_b_d:Li-Mg-Pd-Sb +mp-10180,Li2SbPd,-3.9426388225,-0.6609566267,0.0,-0.0107363925,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pd-Sb,4.0,A2BC_cF16_216_ac_b_d:Li-Pd-Sb +mp-861736,LiSbPd2,-4.719985625,-0.6205636933,0.0,-0.0725437275,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Li-Pd-Sb +mp-977579,MgSbPd2,-4.63411391,-0.6118526825,0.0278543825,0.0278543825,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Pd-Sb,4.0,AB2C_cF16_225_a_c_b:Mg-Pd-Sb +mp-10183,MgSbPd,-4.2637569733,-0.6273692733,0.0,-0.0455664412,GGA,F-43m,ABC_cF12_216_a_c_b:Mg-Pd-Sb,3.0,ABC_cF12_216_a_c_b:Mg-Pd-Sb +mp-569563,Ba3Zr6BeCl18,-5.646074778,-2.28692473,0.0,-0.0065712906,GGA,R-3c,A3BC18D6_hR168_167_ac_b_3f_f:Ba-Be-Cl-Zr,56.0,"Invalid WP multiplicities - A3BC18D6_hR168_167_2a2c_b_25f_f:Ba-Be-Cl-Zr, expected Ba6Zr6BeCl150 to be Ba3Zr6BeCl18" +mp-567890,AgHg3As2Cl3,-2.6329924233,-0.565498658,0.001369327,0.001369327,GGA,C2/c,AB2C3D3_mC108_15_ef_3f_c4f_abe3f:Ag-As-Cl-Hg,54.0,"Invalid WP multiplicities - AB2C3D3_mC108_15_2e2f_8f_2c12f_2a2b2e10f:Ag-As-Cl-Hg, expected Ag3Hg13As8Cl13 to be AgHg3As2Cl3" +mp-580541,Cs2NaSmCl6,-4.381319967,-2.4890063537,0.0,-0.0373959482,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sm +mp-1112520,Cs2RbCeCl6,-4.4449101330000005,-2.4653453398,0.0165156199,0.0165156199,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-Rb +mp-569903,CsEr(NbBr3)6,-5.1879084921,-1.5715445936,0.0,-0.0641888871,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Er-Nb,52.0,"Invalid WP multiplicities - A18BCD6_hP52_163_23i_c_d_i:Br-Cs-Er-Nb, expected CsEr(NbBr23)6 to be CsEr(NbBr3)6" +mp-1193312,Cs3Er2Br9,-4.1478419343,-2.3050633838,0.0,-1.0665307446,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Br-Cs-Er,28.0,A9B3C2_hR84_167_ef_e_c:Br-Cs-Er +mp-1111507,Na2EuCuCl6,-4.635519261,-1.8262713593,0.1466159087,0.1466159087,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-Na +mp-1111488,Na2SmCuCl6,-4.158236282,-1.9028299468,0.1619679393,0.1619679393,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Sm +mp-1147528,Na2Cu(BrCl)2,-3.2635473757,-1.3282063419,0.1893691557,0.1893691557,GGA,P4/mmm,A2B2CD2_tP7_123_e_ac_b_f:Br-Cl-Cu-Na,7.0,A2B2CD2_tP7_123_e_ac_b_f:Br-Cl-Cu-Na +mp-1221385,Na2BrCl,-3.504011975,-1.9923580808,0.0057646475,0.0057646475,GGA,R-3m,ABC2_hR12_166_a_b_c:Br-Cl-Na,4.0,ABC2_hR12_166_a_b_c:Br-Cl-Na +mp-1221141,Na5Br4Cl,-3.391901046,-1.9245734013,0.006653017,0.006653017,GGA,I4/mmm,A4BC5_tI20_139_2e_a_b2e:Br-Cl-Na,10.0,"Invalid WP multiplicities - A4BC5_tI20_139_3e_a_b3e:Br-Cl-Na, expected Na7Br6Cl to be Na5Br4Cl" +mp-1221225,Na3BrCl2,-3.5629581100000003,-2.0266785216,0.0086088233,0.0086088233,GGA,I4/mmm,AB2C3_tI12_139_a_e_be:Br-Cl-Na,6.0,"Invalid WP multiplicities - AB2C3_tI12_139_a_e_b2e:Br-Cl-Na, expected Na5BrCl2 to be Na3BrCl2" +mp-1221224,Na3BrCl2,-3.5673577117,-2.0310781233,0.0042092217,0.0042092217,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Br-Cl-Na,6.0,AB2C3_hP6_164_a_d_bd:Br-Cl-Na +mp-1221147,Na5BrCl4,-3.61605222,-2.0600720763,0.004946962,0.004946962,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Br-Cl-Na,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b3c:Br-Cl-Na, expected Na7BrCl6 to be Na5BrCl4" +mp-1189625,Cs2LiScCl6,-4.542062409,-2.4297207414,0.0,-0.0040407145,GGA,R-3m,A6B2CD_hR60_166_2h_2c_c_ab:Cl-Cs-Li-Sc,20.0,A6B2CD_hR60_166_2h_2c_c_ab:Cl-Cs-Li-Sc +mp-1113004,Cs2LiScCl6,-4.53084628,-2.4185046124,0.011216129,0.0071754145,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Sc +mp-1112622,Cs2ScAgCl6,-4.355944921,-2.1512399398,0.0,-0.004735779,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Sc +mp-1205808,Rb2LiYbCl6,-3.830192826,-2.1801109008,0.0484869845,0.0484869845,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Yb,,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Yb +mp-1209595,Rb3YbCl6,-3.7615826822,-2.2043396365,0.0458478948,0.0458478948,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Rb-Yb,,A6B3C_mC80_15_6f_3f_ae:Cl-Rb-Yb +mp-23421,LiYb2Cl5,-4.4575881488,-2.6787353079000003,0.0240072619,0.0240072619,GGA,C2/c,A5BC2_mC32_15_e2f_c_f:Cl-Li-Yb,,"Invalid WP multiplicities - A5BC2_mC32_15_e3f_a_f:Cl-Li-Yb, expected LiYb2Cl7 to be LiYb2Cl5" +mp-673763,Li3YbCl6,-3.9239767895,-2.0882171055,0.0613420645,0.0613420645,GGA,Pna2_1,A6B3C_oP40_33_6a_3a_a:Cl-Li-Yb,,"Invalid WP multiplicities - A6B3C_oP40_33_22a_10a_a:Cl-Li-Yb, expected Li10YbCl22 to be Li3YbCl6" +mp-1209418,RbYb2Cl7,-3.955453274,-2.2555025488,0.0,-0.071718847,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Yb,,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Yb +mp-1110992,Na2TlCuCl6,-3.355644051,-1.3358320146,0.1516345585,0.1516345585,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Tl +mp-1113443,Cs2BiAuCl6,-3.5898884630000003,-1.5902488796,0.0810837275,0.0810837275,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-Cs +mp-639335,MnSbSe2Br,-5.0155326298,-0.6483590663000001,0.1249613337,0.1249613337,GGA,Pm,ABCD2_mP40_6_4a4b_8a_4a4b_8a8b:Br-Mn-Sb-Se,40.0,ABCD2_mP40_6_4a4b_8a_4a4b_8a8b:Br-Mn-Sb-Se +mp-655834,MnSbSe2Br,-5.0139955233,-0.6468219598,0.1264984402,0.1264984402,GGA,Pbam,ABCD2_oP40_55_gh_acg_gh_2g2h:Br-Mn-Sb-Se,40.0,"Invalid WP multiplicities - ABCD2_oP40_55_3g3h_2a2c2g_4g3h_6g6h:Br-Mn-Sb-Se, expected Mn4Sb7(Se2Br)6 to be MnSbSe2Br" +mp-567478,MnSbSe2Br,-5.132787929,-0.7656143655000001,0.0077060345,0.0077060345,GGA,Pnma,ABCD2_oP20_62_c_c_c_2c:Br-Mn-Sb-Se,20.0,"Invalid WP multiplicities - ABCD2_oP20_62_c_c_c_5c:Br-Mn-Sb-Se, expected MnSbSe5Br to be MnSbSe2Br" +mp-1210700,Mn(SbSe2)2,-5.0659903021,-0.5797526332,0.0,-0.0254269657,GGA,C2/m,AB2C4_mC28_12_ac_2i_4i:Mn-Sb-Se,14.0,AB2C4_mC28_12_ac_2i_4i:Mn-Sb-Se +mp-1203885,InHg6Sb4Br7,-2.4533200935,-0.6777106940000001,0.0,-0.0153988198,GGA,Pa-3,A7B6CD4_cP72_205_ad_d_b_2c:Br-Hg-In-Sb,72.0,A7B6CD4_cP72_205_ad_d_b_2c:Br-Hg-In-Sb +mp-989520,Rb2NaBiCl6,-3.758294045,-1.9367637922,0.0,-0.0435167858,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Na-Rb +mp-1226118,Cs4BiSbCl12,-3.6857598728,-1.8116743295,0.0012149336,-0.0049524094,GGA,P4/mmm,AB12C4D_tP18_123_a_ghjk_i_d:Bi-Cl-Cs-Sb,18.0,"Invalid WP multiplicities - AB12C4D_tP18_123_a_2g2h4j4k_i_d:Bi-Cl-Cs-Sb, expected Cs4BiSbCl40 to be Cs4BiSbCl12" +mp-23583,Cs4BiSbCl12,-3.6869748064,-1.8128892632,0.0,-0.0061673431,GGA,I4_1/amd,AB12C4D_tI72_141_a_2e2h_f_b:Bi-Cl-Cs-Sb,36.0,"Invalid WP multiplicities - AB12C4D_tI72_141_a_2e5h_f_b:Bi-Cl-Cs-Sb, expected Cs4BiSbCl24 to be Cs4BiSbCl12" +mp-1223176,LaCeSn6,-4.9162023463,-0.5503864225,0.0049289713,0.0049289713,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Ce-La-Sn,8.0,ABC6_tP8_123_a_b_cdi:Ce-La-Sn +mp-1223248,La2Sn4Ru,-5.6114833943,-0.5850970843000001,0.0277710711,0.0277710711,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:La-Ru-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:La-Ru-Sn +mp-1223031,LaCe(SnRu)2,-6.8366086083,-0.5971010999999999,0.0,-0.0229825815,GGA,Cm,ABC2D2_mC12_8_a_a_2a_2a:Ce-La-Ru-Sn,6.0,ABC2D2_mC12_8_a_a_2a_2a:Ce-La-Ru-Sn +mp-1198476,CeSn3Ru,-5.9869608513,-0.5397193992,0.0,-0.0636889382,GGA,Pm-3n,ABC3_cP40_223_ac_e_k:Ce-Ru-Sn,40.0,ABC3_cP40_223_ac_e_k:Ce-Ru-Sn +mp-1198582,Ce3Sn13Ru4,-5.7675031075,-0.4164375205,0.0285526568,0.0285526568,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ce-Ru-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ce-Ru-Sn +mp-30756,LaSn3Ru,-5.7790093328,-0.5311842908000001,0.0,-0.0252160706,GGA,Pm-3n,ABC3_cP40_223_ac_e_k:La-Ru-Sn,40.0,ABC3_cP40_223_ac_e_k:La-Ru-Sn +mp-1206665,La(Sn3Ru2)2,-6.3670384291,-0.3587613023,0.0,-0.0354084021,GGA,I-42m,AB4C6_tI22_121_a_i_ci:La-Ru-Sn,11.0,AB4C6_tI22_121_a_i_ci:La-Ru-Sn +mp-1196992,La3Sn13Ru4,-5.6539121325,-0.452408853,0.0,-0.0066644638,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:La-Ru-Sn,40.0,A3B4C13_cP40_223_c_e_ak:La-Ru-Sn +mp-20752,Ce(Sn3Ru2)2,-6.4473960645,-0.348475115,0.0,-0.0212426201,GGA,I-42m,AB4C6_tI22_121_a_i_ci:Ce-Ru-Sn,11.0,"Invalid WP multiplicities - AB4C6_tI22_121_a_i_2ci:Ce-Ru-Sn, expected Ce(Sn2Ru)4 to be Ce(Sn3Ru2)2" +mp-1105483,Ce3Sn6Ru,-5.676069892,-0.5629597785,0.03137295,0.03137295,GGA,Cmcm,A3BC6_oC40_63_cf_c_2c2f:Ce-Ru-Sn,20.0,A3BC6_oC40_63_cf_c_2c2f:Ce-Ru-Sn +mp-610687,CeSnRu,-7.0346536708,-0.6289658208000001,0.0,-0.1751269335,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Ce-Ru-Sn,12.0,ABC_mC12_12_i_i_i:Ce-Ru-Sn +mp-1219616,Rb4TlSbCl12,-3.5182788222,-1.707377678,0.0,-0.0019921058,GGA,P4/mmm,A12B4CD_tP18_123_ghjk_i_a_d:Cl-Rb-Sb-Tl,18.0,"Invalid WP multiplicities - A12B4CD_tP18_123_2g2h4j4k_i_a_d:Cl-Rb-Sb-Tl, expected Rb4TlSbCl40 to be Rb4TlSbCl12" +mp-1208011,TlSbCl6,-3.4505464463,-1.2526884029,0.0,-0.0247100562,GGA,C2/c,A6BC_mC32_15_3f_c_e:Cl-Sb-Tl,16.0,A6BC_mC32_15_3f_a_e:Cl-Sb-Tl +mp-1114002,Rb2TlSbCl6,-3.655149599,-1.7007563498,0.0,-0.006143571,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Sb-Tl +mp-1113202,Cs2GaHgCl6,-3.293075994,-1.6716958848,0.1137660548,0.1137660548,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Hg,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Hg +mp-1112997,Cs2NaAlCl6,-3.961397104,-2.1663845212,0.0363368868,0.0363368868,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Na +mp-1112003,Cs2TlSbCl6,-3.691127336,-1.7537604269,0.008408823,0.008408823,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Sb-Tl +mp-1226134,Cs4TlSbCl12,-3.5314860272,-1.7395030386,0.0011955217,-0.0172466958,GGA,P4/mmm,A12B4CD_tP18_123_ghjk_i_a_d:Cl-Cs-Sb-Tl,18.0,"Invalid WP multiplicities - A12B4CD_tP18_123_2g2h4j4k_i_a_d:Cl-Cs-Sb-Tl, expected Cs4TlSbCl40 to be Cs4TlSbCl12" +mp-650007,Cs4TlSbCl12,-3.5326815489,-1.7406985603,0.0,-0.0184422175,GGA,I4_1/amd,A12B4CD_tI72_141_2e2h_f_a_b:Cl-Cs-Sb-Tl,36.0,"Invalid WP multiplicities - A12B4CD_tI72_141_8e10h_f_a_b:Cl-Cs-Sb-Tl, expected Cs4TlSbCl56 to be Cs4TlSbCl12" +mp-20663,TmCuPb,-4.452814755,-0.3569183672,0.0,-0.0493890845,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Pb-Tm,6.0,ABC_hP6_186_b_b_a:Cu-Pb-Tm +mp-865269,TmCuPbSe3,-5.02360018,-1.2276962473,0.0021509663,0.0010255275,GGA,Cmc2_1,ABC3D_oC24_36_a_a_3a_a:Cu-Pb-Se-Tm,12.0,"Invalid WP multiplicities - ABC3D_oC24_36_a_a_5a_a:Cu-Pb-Se-Tm, expected TmCuPbSe5 to be TmCuPbSe3" +mp-640324,TmCuPbSe3,-5.0257511463,-1.2298472135,0.0,-0.0011254388,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-Se-Tm,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_10c_c:Cu-Pb-Se-Tm, expected TmCuPbSe10 to be TmCuPbSe3" +mp-1192734,Tm2PbSe4,-5.5436284386,-1.7367764632,0.0270025054,0.0270025054,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-Se-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Pb-Se-Tm +mp-11124,CsLaHgSe3,-4.3037470075,-1.533276295,0.0,-0.063829522,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cs-Hg-La-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Cs-Hg-La-Se +mp-1112616,Cs2AlHgCl6,-3.51886237,-1.8257342801,0.1251242077,0.1251242077,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Hg,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Hg +mp-1226334,CrCuSnSe4,-5.2111522943,-0.6760848792,0.0013744068,0.0013744068,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-Se-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-Se-Sn, expected CrCuSnSe8 to be CrCuSnSe4" +mp-865890,Li2CaIn,-2.4221902825,-0.2784079467,0.0,-0.0037235147,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-In-Li,4.0,ABC2_cF16_225_a_b_c:Ca-In-Li +mp-1206798,LiCa2Ge,-3.030220895,-0.3944332746,0.0660211092,0.0660211092,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Ca-Ge-Li +mp-12609,LiCa6Ge,-2.3697659225,-0.0490721723,0.1833418831,0.1833418831,GGA,Fm-3m,A6BC_cF32_225_d_a_b:Ca-Ge-Li,8.0,A6BC_cF32_225_d_a_b:Ca-Ge-Li +mp-865986,Li2CaGe,-3.0343738125,-0.4227554454,0.0020275274,0.0020275274,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Ge-Li,4.0,ABC2_cF16_225_a_b_c:Ca-Ge-Li +mp-13917,LiCaGe2,-3.803147425,-0.5130028108,0.0,-0.0146515144,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ca-Ge-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_4c_c:Ca-Ge-Li, expected LiCaGe4 to be LiCaGe2" +mp-570850,LiCa2InGe2,-3.5486401937,-0.5623298493000001,0.0,-0.0296601224,GGA,Pnma,A2B2CD_oP24_62_2c_2c_c_c:Ca-Ge-In-Li,24.0,"Invalid WP multiplicities - A2B2CD_oP24_62_4c_5c_c_c:Ca-Ge-In-Li, expected LiCa4InGe5 to be LiCa2InGe2" +mp-867211,LiCa2In,-2.4691814275,-0.3012298383,0.0,-0.0075319119,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Li,4.0,A2BC_cF16_225_c_a_b:Ca-In-Li +mp-504670,LiCa2Ge3,-3.8690691771,-0.5708681451000001,0.0,-0.0084016454,GGA,Pnnm,A2B3C_oP24_58_2g_3g_g:Ca-Ge-Li,24.0,"Invalid WP multiplicities - A2B3C_oP24_58_7g_11g_g:Ca-Ge-Li, expected LiCa7Ge11 to be LiCa2Ge3" +mp-1222853,LaGa3Cu,-4.152128474,-0.5282281055,0.0,-0.0484812402,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Cu-Ga-La,5.0,AB3C_tI10_119_a_bf_c:Cu-Ga-La +mp-1223193,La3GaCuSe7,-5.5629811783,-1.6957558157,0.0262481993,0.0262481993,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ga-La-Se,24.0,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ga-La-Se +mp-1093608,La2GaCu,-2.3955846625,1.8542445631,2.2398936945,2.2398936945,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-La,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-La +mp-1223339,La2Ga5Cu3,-4.217235222,-0.4862237888,0.0,-0.011035399,GGA,P-4m2,A3B5C2_tP10_115_abc_d2g_g:Cu-Ga-La,10.0,"Invalid WP multiplicities - A3B5C2_tP10_115_abc_d4g_g:Cu-Ga-La, expected La2(Ga3Cu)3 to be La2Ga5Cu3" +mp-1217493,TbNiGe,-5.717504045,-0.7049938333,0.0851228725,0.0013417075,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ni-Tb,6.0,ABC_mC12_12_i_i_i:Ge-Ni-Tb +mp-21424,TbNiGe,-5.8026269175,-0.7901167058,0.0,-0.083781165,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Tb,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Tb +mp-1208532,Tb2Al5Ge2,-4.5109727911,-0.3728986733,0.0673197711,0.0673197711,GGA,Cmce,A5B2C2_oC36_64_a2e_f_f:Al-Ge-Tb,18.0,A5B2C2_oC36_64_a2e_f_f:Al-Ge-Tb +mp-1208582,Tb3Ni11Ge4,-5.7671313075,-0.4350916853,0.0702550107,0.0702550107,GGA,P6_3/mmc,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Tb,36.0,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Tb +mp-1191273,Tb3NiGe2,-5.6052013825,-0.7836529342,0.0,-0.018586904,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Tb,24.0,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Tb +mp-1105661,Tb2Al3Ge4,-4.7792275028,-0.4461640461,0.0115687092,0.0115687092,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Tb,18.0,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Tb +mp-570138,Tb2Al4NiGe2,-5.0040993667,-0.6399629322,0.0,-0.0261971476,GGA,I4/mmm,A4B2CD2_tI18_139_g_e_a_e:Al-Ge-Ni-Tb,9.0,A4B2CD2_tI18_139_g_e_a_e:Al-Ge-Ni-Tb +mp-1206011,Tb2NiGe6,-5.2786333144,-0.5245182022,0.0124134333,0.0124134333,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Tb,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Tb +mp-1071337,TbAlGe,-4.7662998583,-0.4319765967,0.22835107,0.1842120212,GGA,Cmcm,ABC_oC12_63_c_a_c:Al-Ge-Tb,6.0,ABC_oC12_63_c_a_c:Al-Ge-Tb +mp-1206233,TbAlGe,-4.9946509283000005,-0.6603276667,0.0,-0.0441390488,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Tb,6.0,ABC_oC12_63_a_c_c:Al-Ge-Tb +mp-1217655,Tb4Ni3Ge8,-5.5544995033,-0.6970263513,0.003420334,0.003420334,GGA,Pmm2,A8B3C4_oP15_25_2a2b2c2d_abc_abcd:Ge-Ni-Tb,15.0,A8B3C4_oP15_25_2a2b2c2d_abc_abcd:Ge-Ni-Tb +mp-1087235,TbNiGe3,-5.437124338,-0.580407069,0.0,-0.011435325,GGA,Cmmm,A3BC_oC20_65_2gh_g_h:Ge-Ni-Tb,10.0,A3BC_oC20_65_2gh_g_h:Ge-Ni-Tb +mp-1208536,Tb2AlGe6,-4.9383501606,-0.410297365,0.0282579053,0.0282579053,GGA,C2/m,AB6C2_mC36_12_i_4ij_j:Al-Ge-Tb,18.0,AB6C2_mC36_12_i_4ij_j:Al-Ge-Tb +mp-4288,TbNiGe2,-5.6263543025,-0.71121468,0.0,-0.014100129,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Tb,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Tb +mp-1217698,Tb2NiGe4,-5.47970902,-0.6881404057,0.0,-0.0032451243,GGA,Amm2,A4BC2_oC14_38_2a2b_a_ab:Ge-Ni-Tb,,A4BC2_oC14_38_2a2b_a_ab:Ge-Ni-Tb +mp-571381,Tb2AlGe3,-5.1301693725,-0.6496041067,0.004662293,0.004662293,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Tb,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_7c_7c:Al-Ge-Tb, expected Tb7AlGe7 to be Tb2AlGe3" +mp-7157,Tb(AlGe)2,-4.694904042,-0.420589348,0.0,-0.0190417065,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Tb,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Tb +mp-3329,Tb(NiGe)2,-5.785518184,-0.6973791500000001,0.0,-0.0827007858,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Tb,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Tb +mp-1226581,CeRuRh,-8.022652875,-0.4987196867,0.0165663283,0.0165663283,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Rh-Ru,6.0,ABC_oI12_74_e_a_c:Ce-Rh-Ru +mp-1226491,CeSi2RuRh,-7.646770582,-0.962283457,0.0,-0.002491701,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Rh-Ru-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Rh-Ru-Si +mp-21900,Ce(SiIr)2,-7.950364825,-1.05824611,0.0,-0.0977720191,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ir-Si,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_a2c_2b2c:Ce-Ir-Si, expected CeSi4Ir3 to be Ce(SiIr)2" +mp-4433,Ce(SiIr)2,-7.945793706,-1.053674991,0.004571119,-0.0932009001,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ir-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Ir-Si +mp-1068734,Ce(SiIr)2,-7.788707682,-0.896588967,0.161657143,0.0638851239,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ir-Si,5.0,AB2C2_tI10_139_a_e_d:Ce-Ir-Si +mp-1105703,Ce2Si5Ir3,-7.5050092095,-0.9542021095,0.0,-0.004719743,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Ir-Si,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Ir-Si +mp-1105540,CeSiIr2,-8.2647681206,-1.0059492344,0.0,-0.0460410775,GGA,I4_1/amd,AB2C_tI32_141_e_abe_e:Ce-Ir-Si,16.0,AB2C_tI32_141_e_abe_e:Ce-Ir-Si +mp-1079402,CeSi2Ir,-7.3212495613,-0.9157097125,0.0,-0.017071436,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Ir-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Ir-Si +mp-13475,CeSi2Ir3,-8.1571152567,-0.9406106308,0.0,-0.0415077704,GGA,Imma,AB3C2_oI24_74_e_ag_i:Ce-Ir-Si,12.0,"Invalid WP multiplicities - AB3C2_oI24_74_e_2a2g_i:Ce-Ir-Si, expected Ce(SiIr3)2 to be CeSi2Ir3" +mp-571044,CeSi2Ir3,-8.1317052717,-0.9152006458,0.025409985,-0.0160977854,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Ce-Ir-Si,6.0,AB3C2_hP6_191_a_g_c:Ce-Ir-Si +mp-1213885,Ce2(Al3Ir)3,-5.9872974371000005,-0.8378929143,0.0,-0.1668770995,GGA,Cmcm,A9B2C3_oC56_63_cfgh_g_ae:Al-Ce-Ir,28.0,A9B2C3_oC56_63_cfgh_g_ae:Al-Ce-Ir +mp-1068906,CeSi3Ir,-7.050214108,-0.840718623,0.0,-0.0823315413,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Ir-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Ir-Si +mp-21441,CeSiIr,-7.647977795,-0.91569734,0.0,-0.0061074635,GGA,P2_13,ABC_cP12_198_a_a_a:Ce-Ir-Si,12.0,ABC_cP12_198_a_a_a:Ce-Ir-Si +mp-1078427,CeAl4Si2Ir,-5.7131640225,-0.6376061831000001,0.0,-0.054887398,GGA,P4/mmm,A4BCD2_tP8_123_i_a_b_h:Al-Ce-Ir-Si,8.0,A4BCD2_tP8_123_i_a_b_h:Al-Ce-Ir-Si +mp-1102352,CeAlIr,-7.0671916675,-0.8948252792,0.0,-0.1053974426,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ce-Ir,12.0,ABC_oP12_62_c_c_c:Al-Ce-Ir +mp-1077038,CeAlIr,-6.930457125,-0.7580907367,0.1367345425,0.0313370999,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Al-Ce-Ir,6.0,ABC_hP6_194_c_a_d:Al-Ce-Ir +mp-571010,CsEr(TaBr3)6,-5.5752100173,-1.5535062903,0.0,-0.0497043694,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Er-Ta,52.0,"Invalid WP multiplicities - A18BCD6_hP52_163_21i_c_d_i:Br-Cs-Er-Ta, expected CsEr(TaBr21)6 to be CsEr(TaBr3)6" +mp-1193179,Cs3Cr2Cl9,-4.7176600021,-1.9584362881,0.0,-0.0810635414,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Cl-Cr-Cs,28.0,A9B2C3_hP28_194_hk_f_bf:Cl-Cr-Cs +mp-28497,Cs2CrCl4,-4.61104678,-1.9199040866,0.0299915695,0.0299915695,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Cr-Cs,7.0,A4BC2_tI14_139_ce_a_e:Cl-Cr-Cs +mp-28360,Na3CrCl6,-4.3773757285,-1.9061913975,0.0,-0.002745565,GGA,P-31c,A6BC3_hP20_163_i_c_af:Cl-Cr-Na,20.0,A6BC3_hP20_163_i_c_af:Cl-Cr-Na +mp-1205696,Cs2NaCrCl6,-4.396799277,-2.0110395302,0.0072841995,0.0072841995,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-Cs-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-Cs-Na +mp-29616,CsCrCl3,-4.978760327,-1.7599483626,0.0679255063,0.0679255063,GGA,C2/m,A3BC_mC20_12_ij_ac_i:Cl-Cr-Cs,10.0,A3BC_mC20_12_ij_ad_i:Cl-Cr-Cs +mp-610955,CsCrCl3,-4.966531347,-1.7477193826,0.0801544863,0.0801544863,GGA,P6_3mc,A3BC_hP10_186_c_a_b:Cl-Cr-Cs,10.0,A3BC_hP10_186_c_a_b:Cl-Cr-Cs +mp-570326,CsCrCl3,-4.966850397,-1.7480384326,0.0798354363,0.0798354363,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Cr-Cs,10.0,A3BC_hP10_194_h_a_c:Cl-Cr-Cs +mp-28716,Na2CrCl4,-4.5882194157,-1.7750416019,0.0403787767,0.0403787767,GGA,P2_1/c,A4BC2_mP14_14_2e_a_e:Cl-Cr-Na,14.0,"Invalid WP multiplicities - A4BC2_mP14_14_3e_a_e:Cl-Cr-Na, expected Na2CrCl6 to be Na2CrCl4" +mp-1112123,Cs2RbNdCl6,-4.342948385,-2.4798777641,0.0277122528,0.0277122528,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Nd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Nd-Rb +mp-1096426,CsNa2Bi,-1.1970291325,0.6482063897,1.001407905,1.001407905,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Cs-Na,4.0,ABC2_oI8_71_a_b_e:Bi-Cs-Na +mp-1080041,Cs2NaBiCl6,-3.784212246,-1.9797083332,0.0,-0.0058976277,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Na +mp-989644,Cs2NaCaCl6,-3.796101368,-2.1750863802,0.071042116,0.071042116,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ca-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Ca-Cl-Cs-Na +mp-1096926,Cs2InAgCl6,-3.590027716,-1.7434012723,0.0,-0.0060657735,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-In +mp-1221018,NaSr4(FeAs)10,-6.0527216032,-0.4778457929,0.0007855384,0.0007855384,GGA,I4/m,A10B10CD4_tI50_87_ei_di_a_h:As-Fe-Na-Sr,25.0,"Invalid WP multiplicities - A10B10CD4_tI50_87_2e3i_2d3i_a_h:As-Fe-Na-Sr, expected NaSr4(FeAs)28 to be NaSr4(FeAs)10" +mp-1077240,NaFeAs,-5.0433999267,-0.2261782905,0.05249818,0.0481829719,GGA,Cmcm,ABC_oC12_63_c_c_c:As-Fe-Na,6.0,ABC_oC12_63_c_c_c:As-Fe-Na +mp-22152,NaFeAs,-5.0958981067,-0.2786764705,0.0,-0.0043152081,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Fe-Na,6.0,ABC_tP6_129_c_a_c:As-Fe-Na +mp-1103997,NaFeAs,-4.9389323108,-0.1217106747,0.1569657958,0.1526505877,GGA,P-3m1,ABC_hP12_164_2d_abd_cd:As-Fe-Na,12.0,ABC_hP12_164_2d_abd_cd:As-Fe-Na +mp-631880,Na2SrFe,-2.545022315,0.6561189976,0.6561189976,0.6561189976,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Na-Sr,4.0,AB2C_cF16_225_a_c_b:Fe-Na-Sr +mp-1220955,NaSr2(FeAs)6,-6.0066467067,-0.441556714,0.0,-0.0019369552,GGA,C2/m,A6B6CD2_mC30_12_3i_hj_a_i:As-Fe-Na-Sr,15.0,"Invalid WP multiplicities - A6B6CD2_mC30_12_5i_h2j_a_i:As-Fe-Na-Sr, expected NaSr2(FeAs)10 to be NaSr2(FeAs)6" +mp-1114003,Rb2ScTlCl6,-4.3843085550000005,-2.2095685193,0.0,-0.0072243605,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Sc-Tl +mp-1103835,Lu(MnSn)6,-6.5556701315,-0.128710639,0.0,-0.0131144379,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Lu-Mn-Sn,13.0,AB6C6_hP13_191_a_i_cde:Lu-Mn-Sn +mp-1172913,Lu(MnSn)6,-3.1766114569,3.2503480356,3.3790586746,3.3659442367,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Lu-Mn-Sn,13.0,"Invalid WP multiplicities - AB6C6_hP13_191_a_i_c2de:Lu-Mn-Sn, expected Lu(Mn3Sn4)2 to be Lu(MnSn)6" +mp-1210833,LuMn6(Sn2Ge)2,-6.7423008054,-0.2209634667,0.0,-0.0276154582,GGA,P6/mmm,A2BC6D4_hP13_191_c_a_i_de:Ge-Lu-Mn-Sn,13.0,A2BC6D4_hP13_191_c_a_i_de:Ge-Lu-Mn-Sn +mp-1203057,LuMnSn2,-5.7529104567000005,-0.3273830761,0.0483045776,0.0483045776,GGA,Pbam,ABC2_oP48_55_gi_ei_2g2hi:Lu-Mn-Sn,48.0,ABC2_oP48_55_gi_ei_2g2hi:Lu-Mn-Sn +mp-11122,CsDyCdSe3,-4.4090877417,-1.5902855075,0.0,-0.1092246571,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Dy-Se,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Dy-Se +mp-1225331,Dy4CdSe7,-5.5340065642,-1.8822217755,0.0477869187,0.0477869187,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cd-Dy-Se,12.0,AB4C7_mC24_8_a_4a_7a:Cd-Dy-Se +mp-570959,Dy2CdSe4,-5.2236271393,-1.7778972321,0.0,-0.0027473521,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Dy-Se,14.0,AB2C4_cF56_227_a_d_e:Cd-Dy-Se +mp-27570,CsFeCl4,-4.4754569275,-1.6821952238,0.0,-0.0725211126,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Cs-Fe,24.0,A4BC_oP24_62_2cd_c_c:Cl-Cs-Fe +mp-1226399,Cs4FeSbCl12,-3.8588841861,-1.7276024162,0.0187302781,0.0187302781,GGA,P4/mmm,A12B4CD_tP18_123_ghjk_i_a_d:Cl-Cs-Fe-Sb,18.0,"Invalid WP multiplicities - A12B4CD_tP18_123_2g2h4j4k_i_a_d:Cl-Cs-Fe-Sb, expected Cs4FeSbCl40 to be Cs4FeSbCl12" +mp-634977,Cs3Fe2Cl9,-4.2797490714,-1.6895291088,0.0744882436,0.0744882436,GGA,P-3m1,A9B3C2_hP14_164_ei_ad_d:Cl-Cs-Fe,14.0,"Invalid WP multiplicities - A9B3C2_hP14_164_2e2i_a2d_d:Cl-Cs-Fe, expected Cs5(FeCl9)2 to be Cs3Fe2Cl9" +mp-29575,Cs3Fe2Cl9,-4.3270336704,-1.7368137078,0.0272036446,0.0272036446,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Fe,28.0,"Invalid WP multiplicities - A9B3C2_hP28_194_3h4k_bf_f:Cl-Cs-Fe, expected Cs3Fe2Cl33 to be Cs3Fe2Cl9" +mp-12119,Cs(FeSb)2,-5.327233668,-0.1085442136,0.1548215432,0.1548215432,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cs-Fe-Sb,5.0,AB2C2_tI10_139_a_d_e:Cs-Fe-Sb +mp-29400,CsFeCl3,-4.629992513,-1.6477858006,0.0,-0.001369605,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Fe,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Fe +mp-1111736,Rb2AlAgBr6,-3.363066897,-1.5773299012000002,0.0774774556,0.0774774556,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Rb +mp-571472,Ce3CuSiSe7,-5.911500385,-1.5952360093,0.0,-0.0460943189,GGA,P6_3,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-Se-Si,24.0,"Invalid WP multiplicities - A3BC7D_hP24_173_c_a_2b6c_b:Ce-Cu-Se-Si, expected Ce3CuSiSe20 to be Ce3CuSiSe7" +mp-1226120,CoNiSb6,-5.0089714287,-0.3011636894,0.0072322566,0.0072322566,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:Co-Ni-Sb,16.0,ABC6_mC32_12_e_f_2i2j:Co-Ni-Sb +mp-1106327,Co4NiSb12,-5.0985701994,-0.1714276853,0.160057439,0.160057439,GGA,Im-3,A4BC12_cI34_204_c_a_g:Co-Ni-Sb,17.0,A4BC12_cI34_204_c_a_g:Co-Ni-Sb +mp-1226458,Co3NiSb12,-5.1058613269,-0.3150422678,0.0050232977,0.0050232977,GGA,R-3,A3BC12_hR48_148_d_b_2f:Co-Ni-Sb,16.0,"Invalid WP multiplicities - A3BC12_hR48_148_d_b_6f:Co-Ni-Sb, expected Co3NiSb36 to be Co3NiSb12" +mp-1221893,Mn2CoNiSb2,-6.3966785933,0.1817359965,0.4077794806,0.4077794806,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Co-Mn-Ni-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Co-Mn-Ni-Sb +mp-1226172,CoNiSb,-5.6767266789,-0.0042414406,0.2402233494,0.2402233494,GGA,P3m1,ABC_hP9_156_3a_a2b_b2c:Co-Ni-Sb,9.0,ABC_hP9_156_3a_a2b_b2c:Co-Ni-Sb +mp-1025009,CoNiSb,-5.7025146517,-0.0300294133,0.2144353767,0.2144353767,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Ni-Sb,6.0,ABC_hP6_194_a_c_d:Co-Ni-Sb +mp-998946,TlCdSe2,-3.14189033,-0.5725513645,0.1108438306,0.1108438306,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cd-Se-Tl,4.0,AB2C_hP4_164_a_d_b:Cd-Se-Tl +mp-1179021,TlCdCu3Se4,-3.4907669756,-0.2055671059,0.3081139826,0.3081139826,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-Tl,9.0,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-Tl +mp-570544,Zr(SeCl6)2,-3.8287995447,-1.3140019776,0.0,-0.0016248243,GGA,Fdd2,A12B2C_oF120_43_6b_b_a:Cl-Se-Zr,30.0,"Invalid WP multiplicities - A12B2C_oF120_43_23b_b_a:Cl-Se-Zr, expected Zr(SeCl23)2 to be Zr(SeCl6)2" +mp-1120787,ZrTeSe,-6.02836032,-0.9660543197,0.436765455,0.436765455,GGA,P4/nmm,ABC_tP6_129_c_a_c:Se-Te-Zr,6.0,ABC_tP6_129_c_a_c:Se-Te-Zr +mp-31304,Zr(TeCl)6,-4.0393095169,-1.0778667515,0.0066505805,0.0066505805,GGA,Pbcm,A6B6C_oP52_57_2d2e_cd2e_d:Cl-Te-Zr,52.0,A6B6C_oP52_57_2d2e_cd2e_d:Cl-Te-Zr +mp-569684,Zr(TeCl6)2,-3.9597292237,-1.4919457346,0.0,-0.0027145832,GGA,R-3c,A12B2C_hR270_167_6f_f_ac:Cl-Te-Zr,90.0,"Invalid WP multiplicities - A12B2C_hR270_167_62f_f_2a2c:Cl-Te-Zr, expected ZrTeCl62 to be Zr(TeCl6)2" +mp-30113,Zr(Se2Cl3)2,-4.3004665089,-1.2438695543,0.0,-0.0228298971,GGA,Pccn,A6B4C_oP44_56_3e_2e_a:Cl-Se-Zr,44.0,A6B4C_oP44_56_3e_2e_a:Cl-Se-Zr +mp-619928,Zr(Se2Cl3)2,-4.2988345527,-1.2422375981,0.0016319561,-0.021197941,GGA,P4_2/ncm,A6B4C_tP44_138_ij_gi_d:Cl-Se-Zr,44.0,"Invalid WP multiplicities - A6B4C_tP44_138_8i8j_2g3i_d:Cl-Se-Zr, expected Zr(Se5Cl24)2 to be Zr(Se2Cl3)2" +mp-1207516,ZrTe7SeCl6,-3.9802234083,-0.9710251869,0.0013493921,0.0013493921,GGA,P2_1/c,A6BC7D_mP60_14_6e_e_7e_e:Cl-Se-Te-Zr,60.0,A6BC7D_mP60_14_6e_e_7e_e:Cl-Se-Te-Zr +mp-1211361,MnAg2GeSe4,-4.672913405,-0.493688272,0.0,-0.0183317007,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Ag-Ge-Mn-Se,16.0,A2BCD4_oP16_31_b_a_a_2ab:Ag-Ge-Mn-Se +mp-640047,Mn2GeSe4,-5.8760192736,-0.6002043665,0.0,-0.0129140427,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mn-Se,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_8c4d:Ge-Mn-Se, expected Mn4GeSe16 to be Mn2GeSe4" +mp-1194701,Cs2ZnSn3Se8,-4.0182241318,-0.9434701503,0.0,-0.019961662,GGA,P2_12_12_1,A2B8C3D_oP56_19_2a_8a_3a_a:Cs-Se-Sn-Zn,56.0,A2B8C3D_oP56_19_2a_8a_3a_a:Cs-Se-Sn-Zn +mp-20146,Zr2Ni2Sn,-7.102012039,-0.568962744,0.023850945,0.023850945,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ni-Sn-Zr,10.0,A2BC2_tP10_127_g_a_h:Ni-Sn-Zr +mp-510040,Zr2Ni2Sn,-7.1084053245,-0.5753560295,0.0174576595,0.0174576595,GGA,P4_2/mnm,A2BC2_tP20_136_j_d_fg:Ni-Sn-Zr,20.0,A2BC2_tP20_136_j_d_fg:Ni-Sn-Zr +mp-924129,ZrNiSn,-6.7966700633,-0.6842003417,0.0,-0.1691657585,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sn-Zr,3.0,ABC_cF12_216_c_a_b:Ni-Sn-Zr +mp-568470,ZrNiSn,-5.90716621,0.2053035117,0.8895038533,0.7203380949,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Sn-Zr,3.0,ABC_cF12_216_a_b_c:Ni-Sn-Zr +mp-30806,ZrNiSn,-6.0378278067,0.074641915,0.7588422567,0.5896764982,GGA,F-43m,ABC_cF12_216_a_c_b:Ni-Sn-Zr,3.0,ABC_cF12_216_a_c_b:Ni-Sn-Zr +mp-30807,ZrNi4Sn,-6.3209137433,-0.3746105425,0.0327801632,0.0327801632,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Sn-Zr,6.0,A4BC_cF24_216_e_a_c:Ni-Sn-Zr +mp-19877,ZrNi2Sn,-6.5263635525,-0.4969770913,0.0488184324,0.0488184324,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-Zr,4.0,A2BC_cF16_225_c_a_b:Ni-Sn-Zr +mp-1206510,Zr6NiSn2,-7.6718260189,-0.4401055556,0.0024196472,0.0024196472,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Ni-Sn-Zr,9.0,AB2C6_hP9_189_a_d_fg:Ni-Sn-Zr +mp-1215369,Zr4Sc(NiSn)5,-6.6269546933,-0.6621670733,0.012637284,0.012637284,GGA,R3m,A5BC5D4_hR45_160_5a_a_5a_4a:Ni-Sc-Sn-Zr,15.0,A5BC5D4_hR45_160_5a_a_5a_4a:Ni-Sc-Sn-Zr +mp-1215239,ZrSc(NiSn)2,-6.3868831567,-0.6436186892,0.0170916917,0.0170916917,GGA,R3m,A2BC2D_hR18_160_2a_a_2a_a:Ni-Sc-Sn-Zr,6.0,A2BC2D_hR18_160_2a_a_2a_a:Ni-Sc-Sn-Zr +mp-1215550,Zn2InAgTe4,-3.16723813,-0.5826193142,0.0081962525,0.0081962525,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Ag-In-Te-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Ag-In-Te-Zn +mp-22503,ZrCo2Sn,-7.088209465,-0.3947324463,0.0,-0.0385027896,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sn-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Sn-Zr +mp-1216388,Zr18Co5Sn4,-7.9978160907,-0.3889832117,0.0,-0.013542103,GGA,Pm,A5B4C18_mP27_6_2a3b_4a_9a9b:Co-Sn-Zr,27.0,A5B4C18_mP27_6_2a3b_4a_9a9b:Co-Sn-Zr +mp-1106301,Zr5CuSn3,-7.0810633506,-0.5403494189,0.0,-0.0276721773,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:Cu-Sn-Zr +mp-1207532,Zr2CuSn3,-2.17163107,3.3655895125,3.7745688654,3.7745688654,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Cu-Sn-Zr,6.0,AB3C2_tP6_123_a_bg_g:Cu-Sn-Zr +mp-1206072,Zr6CoSn2,-7.8138103467,-0.4345142039,0.0,-0.0002221489,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Co-Sn-Zr,9.0,AB2C6_hP9_189_a_d_fg:Co-Sn-Zr +mp-1093981,Zr2CoCu,-4.075384235,3.0003471963,3.2330774458,3.2330774458,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cu-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Cu-Zr +mp-1215719,Zr2CoCuSn2,-6.5155387633,-0.4618605242,0.0,-0.0286601126,GGA,P3m1,ABC2D2_hP6_156_a_b_ab_2c:Co-Cu-Sn-Zr,6.0,ABC2D2_hP6_156_a_b_ab_2c:Co-Cu-Sn-Zr +mp-1215345,Zr8Co3Cu,-8.0313565858,-0.2142094946,0.0122922267,0.0122922267,GGA,C222,A3BC8_oC24_21_abc_d_2kl:Co-Cu-Zr,12.0,"Invalid WP multiplicities - A3BC8_oC24_21_abc_d_3kl:Co-Cu-Zr, expected Zr10Co3Cu to be Zr8Co3Cu" +mp-30563,ZrCoSn,-7.0301696356,-0.4749728756,0.0,-0.028101389,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Sn-Zr,9.0,ABC_hP9_189_ad_g_f:Co-Sn-Zr +mp-1101867,ZrCuSn,-5.9435876658,-0.3914279475,0.0,-0.0239949028,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Sn-Zr,12.0,ABC_oP12_62_c_c_c:Cu-Sn-Zr +mp-1223756,In2AgTe3Br,-3.3049415386,-0.5451030424000001,0.1330509675,0.1330509675,GGA,P4/mmm,ABC2D3_tP7_123_c_b_g_ah:Ag-Br-In-Te,7.0,ABC2D3_tP7_123_c_b_g_ah:Ag-Br-In-Te +mp-29749,Ga3Ni5Ge2,-5.0841978835,-0.3610951657,0.0006648899,0.0006648899,GGA,Cmcm,A3B2C5_oC40_63_af_2c_c2f:Ga-Ge-Ni,20.0,A3B2C5_oC40_63_af_2c_c2f:Ga-Ge-Ni +mp-1224885,GaNi2Ge3,-4.97176322,-0.2288543954,0.0201334703,0.0201334703,GGA,C222_1,AB3C2_oC24_20_a_ac_2b:Ga-Ge-Ni,12.0,"Invalid WP multiplicities - AB3C2_oC24_20_a_ac_3b:Ga-Ge-Ni, expected Ga(NiGe)3 to be GaNi2Ge3" +mp-1102499,SmGa4Ni,-4.3214268508,-0.5529090333000001,0.0962921958,0.0962921958,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Sm,12.0,A4BC_oC24_63_acf_c_c:Ga-Ni-Sm +mp-1193425,Sm2Ga9NiGe2,-4.0516518839,-0.3576355366,0.0847385436,0.0847385436,GGA,P4/nmm,A9B2CD2_tP28_129_c2j_2c_a_f:Ga-Ge-Ni-Sm,28.0,A9B2CD2_tP28_129_c2j_2c_a_f:Ga-Ge-Ni-Sm +mp-1219054,SmGa2Ni3,-5.2227949911,-0.5369302878000001,0.6406572748,0.6406572748,GGA,P-62m,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Sm,18.0,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Sm +mp-1224925,GaNi4Ge3,-5.3050047225,-0.3027889341,0.0258453821,0.0258453821,GGA,Cm,AB3C4_mC16_8_a_3a_4a:Ga-Ge-Ni,8.0,AB3C4_mC16_8_a_3a_4a:Ga-Ge-Ni +mp-1224915,GaNi4Ge3,-5.3110124631,-0.3087966747,0.0198376415,0.0198376415,GGA,Pmc2_1,AB3C4_oP16_26_a_a2b_2a2b:Ga-Ge-Ni,16.0,AB3C4_oP16_26_a_a2b_2a2b:Ga-Ge-Ni +mp-1224859,GaNi4Ge3,-5.2416793687,-0.2394635803,0.0891707359,0.0891707359,GGA,R3,AB3C4_hR24_146_a_b_ab:Ga-Ge-Ni,8.0,AB3C4_hR24_146_a_b_ab:Ga-Ge-Ni +mp-1101817,SmNiGe,-5.777602205,-0.7370186483000001,0.4593121814,0.4593121814,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Sm,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Sm +mp-980760,SmNiGe2,-5.6727066713,-0.73651204,0.1787354872,0.1787354872,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Sm,8.0,"Invalid WP multiplicities - A2BC_oC16_63_3c_c_c:Ge-Ni-Sm, expected SmNiGe3 to be SmNiGe2" +mp-1219031,SmGa3Ni,-4.52010477,-0.6035025935,0.171332362,0.171332362,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ga-Ni-Sm,,A3BC_tI10_107_ab_a_a:Ga-Ni-Sm +mp-1219023,SmGa3Ni,-4.448868922,-0.5322667455,0.24256821,0.24256821,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Ni-Sm,5.0,A3BC_tI10_119_af_b_c:Ga-Ni-Sm +mp-1219188,Sm2NiGe3,-5.582837765,-0.7351056792,0.2055168612,0.2055168612,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Ge-Ni-Sm,6.0,A3BC2_oP6_25_a2b_a_cd:Ge-Ni-Sm +mp-8466,SmNiGe3,-5.471417503,-0.5978562270000001,0.1343417948,0.1343417948,GGA,Cmmm,A3BC_oC20_65_2gh_g_h:Ge-Ni-Sm,10.0,A3BC_oC20_65_2gh_g_h:Ge-Ni-Sm +mp-1219214,Sm4Ni3Ge8,-5.595639584,-0.715707756,0.1486732747,0.1486732747,GGA,Pmm2,A8B3C4_oP15_25_2a2b2c2d_abc_abcd:Ge-Ni-Sm,15.0,A8B3C4_oP15_25_2a2b2c2d_abc_abcd:Ge-Ni-Sm +mp-1206871,Sm2GaNi2,-5.314021886,-0.5089135555000001,0.6383895962,0.6383895962,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Sm,5.0,AB2C2_oI10_71_a_f_h:Ga-Ni-Sm +mp-1224860,GaNi6Ge,-5.581193625,-0.2897006303,0.0007660987,0.0007660987,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Ga-Ge-Ni,8.0,ABC6_tP8_123_a_b_cdi:Ga-Ge-Ni +mp-17658,Sm(NiGe)3,-5.6716625643,-0.5390797443,0.4634174071,0.4634174071,GGA,I4/mmm,A3B3C_tI28_139_abde_eg_e:Ge-Ni-Sm,14.0,A3B3C_tI28_139_abde_eg_e:Ge-Ni-Sm +mp-1103079,SmGaNi,-5.0991474067,-0.5902077942,0.5262862357,0.5262862357,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Sm,12.0,ABC_oP12_62_c_c_c:Ga-Ni-Sm +mp-683971,Sm15(Ga11Ni13)4,-4.8283268523,-0.2825419481,0.7720342775,0.7720342775,GGA,P-6m2,A44B52C15_hP111_187_g2j2k3no_2hjk3n2o_a2g2h3i:Ga-Ni-Sm,111.0,"Invalid WP multiplicities - A44B52C15_hP111_187_2g6j6k15n9o_3h3j3k17n20o_a4g4h5i:Ga-Ni-Sm, expected Sm27(Ga119Ni183)2 to be Sm15(Ga11Ni13)4" +mp-5167,Sm(NiGe)2,-5.804653234,-0.699670193,0.3681768239,0.3681768239,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Sm,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Sm +mp-1219204,Sm2Ga3Ni,-4.6682213967,-0.6179552271000001,0.2826215279,0.2826215279,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Sm,6.0,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Sm +mp-1224913,Ga2Ni7Ge2,-5.3635399182,-0.2941576895,0.0472518823,0.0472518823,GGA,P-6m2,A2B2C7_hP11_187_ab_h_cg2i:Ga-Ge-Ni,11.0,"Invalid WP multiplicities - A2B2C7_hP11_187_ab_h_cg3i:Ga-Ge-Ni, expected Ga2Ni9Ge2 to be Ga2Ni7Ge2" +mp-504614,Sm3(GaNi3)2,-5.483471365,-0.4932194986,0.9273355616,0.9273355616,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Ga-Ni-Sm,22.0,A2B6C3_cI44_229_c_h_e:Ga-Ni-Sm +mp-1025423,SmGa2Ni,-4.7742799363,-0.6355512213,0.3212716982,0.3212716982,GGA,Cmmm,A2BC_oC16_65_acg_g_h:Ga-Ni-Sm,8.0,A2BC_oC16_65_acg_g_h:Ga-Ni-Sm +mp-30029,Ga3Ni13Ge6,-5.4292937391,-0.3400104647,0.0,-0.0039569783,GGA,P3_121,A3B6C13_hP66_152_ac_3c_a2b5c:Ga-Ge-Ni,66.0,A3B6C13_hP66_152_ac_3c_a2b5c:Ga-Ge-Ni +mp-1209016,Sm3NiGe2,-5.6116246513,-0.7479661854,0.2549720068,0.2549720068,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Sm,24.0,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Sm +mp-1078140,Mn(InSe2)2,-4.8033226243,-0.7106042439,0.0316418612,0.0316418612,GGA,R3m,A2BC4_hR21_160_2a_a_4a:In-Mn-Se,7.0,A2BC4_hR21_160_2a_a_4a:In-Mn-Se +mp-1239142,Mn2InCuSe4,-5.355183125,-0.4603622632,0.1705773244,0.1705773244,GGA,I-42m,ABC2D4_tI16_121_a_b_d_i:Cu-In-Mn-Se,8.0,ABC2D4_tI16_121_a_b_d_i:Cu-In-Mn-Se +mp-1222074,Mn2In2Se5,-5.2915274311000005,-0.7018657164000001,0.0072737554,0.0072737554,GGA,R-3m,A2B2C5_hR27_166_c_c_a2c:In-Mn-Se,9.0,A2B2C5_hR27_166_c_c_a2c:In-Mn-Se +mp-8934,Cs2SnAs2,-3.456218709,-0.4324960272,0.0,-0.0470894325,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-Cs-Sn,10.0,A2B2C_oI20_72_j_j_a:As-Cs-Sn +mp-568403,Cs2SnAs2Se9,-4.0748963221,-0.7476237001,0.0009407603,0.0009407603,GGA,P2_1,A2B2C9D_mP28_4_2a_2a_9a_a:As-Cs-Se-Sn,28.0,"Invalid WP multiplicities - A2B2C9D_mP28_4_3a_4a_18a_a:As-Cs-Se-Sn, expected Cs4Sn(AsSe6)3 to be Cs2SnAs2Se9" +mp-1210275,Na3Sr3GaSb4,-3.3902441973,-0.7920480861,0.0,-0.0137539264,GGA,P6_3mc,AB3C4D3_hP22_186_b_c_bc_c:Ga-Na-Sb-Sr,22.0,AB3C4D3_hP22_186_b_c_bc_c:Ga-Na-Sb-Sr +mp-542625,Sr3GaSb3,-3.8771181643,-0.9508924354,0.0,-0.045076884,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Ga-Sb-Sr,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_4e_20e_21e:Ga-Sb-Sr, expected Sr21(GaSb5)4 to be Sr3GaSb3" +mp-1215570,Zr3(Sn2Sb)2,-6.0610869122,-0.5122656022000001,0.0,-0.0017102228,GGA,C2,A2B4C3_mC18_5_c_2ac_ac:Sb-Sn-Zr,9.0,A2B4C3_mC18_5_c_2ac_ac:Sb-Sn-Zr +mp-1219799,Ni6SnSb,-5.5410334575,-0.1886093106,0.0024454119,0.0024454119,GGA,Pmm2,A6BC_oP8_25_adef_b_c:Ni-Sb-Sn,8.0,A6BC_oP8_25_adef_b_c:Ni-Sb-Sn +mp-1220099,Ni4(SnSb3)3,-4.7709111131,-0.2515190228,0.0029551669,0.0029551669,GGA,Cm,A4B9C3_mC32_8_2b_a4b_3a:Ni-Sb-Sn,16.0,"Invalid WP multiplicities - A4B9C3_mC32_8_2b_a7b_3a:Ni-Sb-Sn, expected Ni4(SnSb5)3 to be Ni4(SnSb3)3" +mp-1215855,Zr10NiSnSb4,-7.6601711388,-0.6737511516,0.0109547991,0.0109547991,GGA,I422,AB4CD10_tI32_97_a_j_b_ck:Ni-Sb-Sn-Zr,16.0,AB4CD10_tI32_97_a_j_b_ck:Ni-Sb-Sn-Zr +mp-22722,NbSiPd,-7.5653812992,-0.6632130058,0.0,-0.0189914299,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-Pd-Si,12.0,ABC_oP12_62_c_c_c:Nb-Pd-Si +mp-1206455,Nb2SiSb2,-6.204277206,0.572908912,1.0475156833,1.0475156833,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Nb-Sb-Si,5.0,A2B2C_tP5_123_g_g_a:Nb-Sb-Si +mp-1220464,Nb8Si2Sb4Pd,-8.0631209247,-0.505990048,0.0,-0.0100811001,GGA,I-42m,A8BC4D2_tI30_121_j_a_i_c:Nb-Pd-Sb-Si,15.0,A8BC4D2_tI30_121_j_a_i_c:Nb-Pd-Sb-Si +mp-16494,AlCrCu2,-5.399354975,-9.5815e-05,0.1604229621,0.1604229621,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cr-Cu,4.0,ABC2_cF16_225_a_b_c:Al-Cr-Cu +mp-1229004,AlCr4CuSe8,-6.157826235,-0.8418073635000001,0.0,-0.0167823268,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Al-Cr-Cu-Se,14.0,AB4CD8_cF56_216_a_e_c_2e:Al-Cr-Cu-Se +mp-1226508,CeSi2OsRu,-8.232629286,-0.775530249,0.012294931,0.012294931,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Os-Ru-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Os-Ru-Si +mp-1226566,CeOsRu,-9.0823965017,-0.2707767933,0.0,-0.0052199658,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Os-Ru,6.0,ABC_oI12_74_e_a_c:Ce-Os-Ru +mp-4767,Ce(SiOs)2,-8.56563182,-0.7179398050000001,0.0,-0.1988141343,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Os-Si +mp-972777,Si2OsRu,-8.339800445,-0.5016989375,0.0,-0.0067755285,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Ru-Si,4.0,ABC2_cF16_225_a_b_c:Os-Ru-Si +mp-1226778,Ce2Si4OsRu3,-8.078351921,-0.8165493730000001,0.0062184945,0.0062184945,GGA,P-4m2,A2BC3D4_tP10_115_g_a_bcd_2g:Ce-Os-Ru-Si,10.0,"Invalid WP multiplicities - A2BC3D4_tP10_115_g_a_bcd_4g:Ce-Os-Ru-Si, expected Ce2Si8OsRu3 to be Ce2Si4OsRu3" +mp-1068364,CeSi3Os,-7.300472388,-0.6131902530000001,0.0,-0.0374056652,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Os-Si,5.0,ABC3_tI10_107_a_a_ab:Ce-Os-Si +mp-505005,CeSiOs,-8.1429724917,-0.6143809533,0.0,-0.0107043394,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Os-Si,6.0,ABC_tP6_129_c_a_c:Ce-Os-Si +mp-1227537,Ca11Si9As16,-4.7530772308,-0.7132062467,0.043727771,0.043727771,GGA,P1,A16B11C9_aP36_1_16a_11a_9a:As-Ca-Si,36.0,A16B11C9_aP36_1_16a_11a_9a:As-Ca-Si +mp-1221206,Na4Ca2SiAs4,-3.7168676209,-0.6838592042,0.0,-0.0307686979,GGA,Cc,A4B2C4D_mC44_9_4a_2a_4a_a:As-Ca-Na-Si,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_9_7a_4a_7a_a:As-Ca-Na-Si, expected Na7Ca4SiAs7 to be Na4Ca2SiAs4" +mp-961685,NaCaAs,-3.5193457733,-0.8569312472,0.0,-0.0410119579,GGA,F-43m,ABC_cF12_216_c_a_b:As-Ca-Na,3.0,ABC_cF12_216_c_a_b:As-Ca-Na +mp-540696,Ca3(SiAs2)2,-4.7663168336,-0.8214380203,0.0,-0.0572409594,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:As-Ca-Si,36.0,A4B3C2_mP36_14_4e_3e_2e:As-Ca-Si +mp-1179753,RbCu3SiSe4,-4.1604126922,-0.5285106897,0.1538773881,0.1538773881,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Si,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-Si +mp-1209497,Rb2Si2Se5,-4.4621628331,-1.0964671005,0.0,-0.1835877942,GGA,C2/c,A2B5C2_mC72_15_2f_2e4f_2f:Rb-Se-Si,36.0,A2B5C2_mC72_15_2f_2e4f_2f:Rb-Se-Si +mp-1220756,Nb3Fe8Si,-8.7499834708,-0.1258665683,0.090795717,0.090795717,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Fe-Nb-Si,12.0,A8B3C_hP12_156_2b2d_a2c_a:Fe-Nb-Si +mp-542995,Nb6Fe16Si7,-8.4910102993,-0.4184104438,0.0,-0.0158475622,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Fe-Nb-Si,29.0,"Invalid WP multiplicities - A16B6C7_cF116_225_8f_e_a2d:Fe-Nb-Si, expected Nb6Fe64Si13 to be Nb6Fe16Si7" +mp-1211280,NbFeSi,-8.5426213932,-0.5437399665,0.0372627493,-0.0233649156,GGA,Pmn2_1,ABC_oP72_31_2a5b_12a_10ab:Fe-Nb-Si,72.0,ABC_oP72_31_2a5b_12a_10ab:Fe-Nb-Si +mp-1209887,NbFeSi,-8.5798841425,-0.5810027158000001,0.0,-0.0606276649,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Nb-Si,12.0,ABC_oP12_62_c_c_c:Fe-Nb-Si +mp-1102925,NbFeSi,-8.543160525,-0.5442790983,0.0367236175,-0.0239040474,GGA,Cmcm,ABC_oC12_63_a_c_c:Fe-Nb-Si,6.0,ABC_oC12_63_a_c_c:Fe-Nb-Si +mp-1221787,Mn8Nb3Si,-9.236657225,-0.1512109345,0.0589216518,0.0589216518,GGA,P3m1,A8B3C_hP12_156_2b2d_a2c_a:Mn-Nb-Si,12.0,A8B3C_hP12_156_2b2d_a2c_a:Mn-Nb-Si +mp-1192618,Nb4Fe4Si7,-8.0606424603,-0.576473713,0.0,-0.0137326492,GGA,I4/mmm,A4B4C7_tI60_139_k_hi_ehij:Fe-Nb-Si,30.0,A4B4C7_tI60_139_k_hi_ehij:Fe-Nb-Si +mp-17893,Mn4Nb2Si5,-7.8277156145,-0.1934191238,0.302740269,0.302740269,GGA,Ibam,A4B2C5_oI44_72_2j_f_a2j:Mn-Nb-Si,22.0,"Invalid WP multiplicities - A4B2C5_oI44_72_5j_f_a4j:Mn-Nb-Si, expected Mn10Nb2Si9 to be Mn4Nb2Si5" +mp-22312,Nb4FeSi,-9.3282833567,-0.2781901233,0.047918963,0.047918963,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Fe-Nb-Si,12.0,AB4C_tP12_124_a_m_c:Fe-Nb-Si +mp-7829,MnNbSi,-8.7621486378,-0.5326025171000001,0.0,-0.0298890104,GGA,P-62m,ABC_hP9_189_f_g_bc:Mn-Nb-Si,9.0,ABC_hP9_189_f_g_bc:Mn-Nb-Si +mp-1221140,Nb4Fe3Si5,-8.3046103965,-0.5594542349,0.028451988,0.028451988,GGA,Pmn2_1,A3B4C5_oP72_31_a4b_12a_11a2b:Fe-Nb-Si,72.0,A3B4C5_oP72_31_a4b_12a_11a2b:Fe-Nb-Si +mp-1220469,Nb4Fe3Si5,-8.271098625,-0.5259424633,0.0619637595,0.0619637595,GGA,Amm2,A3B4C5_oC24_38_ac_2c_bde:Fe-Nb-Si,12.0,"Invalid WP multiplicities - A3B4C5_oC24_38_ac_3c_bde:Fe-Nb-Si, expected Nb6Fe3Si5 to be Nb4Fe3Si5" +mp-1220510,NbFe4Si,-8.2938750508,-0.0594237325,0.2391068582,0.2391068582,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Nb-Si,12.0,A4BC_hP12_164_abi_d_d:Fe-Nb-Si +mp-1196167,NbFeSi2,-7.9136662283,-0.5581756508,0.0,-0.0029360318,GGA,Pbam,ABC2_oP48_55_ei_gi_2g2hi:Fe-Nb-Si,48.0,ABC2_oP48_55_ei_gi_2g2hi:Fe-Nb-Si +mp-1110712,Rb2LiCeBr6,-4.056017215,-2.1438922003,0.029922663,0.029922663,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Li-Rb +mp-1113918,Na2LiEuCl6,-4.644995492,-2.0547759706,0.1628979007,0.1628979007,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Li-Na +mp-1110809,Rb2CeAgCl6,-4.3247136170000005,-2.1429202907,0.0281329593,0.0281329593,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-Rb +mp-1112921,Cs2TbAuCl6,-4.156519125,-2.0774918446,0.0811014758,0.0811014758,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Tb +mp-1219632,Rb6Mn2CrCl12,-4.6048208443,-1.9361197772,0.002066089,0.002066089,GGA,I4/mmm,A12BC2D6_tI42_139_c3eg_a_e_3e:Cl-Cr-Mn-Rb,21.0,"Invalid WP multiplicities - A12BC2D6_tI42_139_2c5eg_a_e_5e:Cl-Cr-Mn-Rb, expected Rb10Mn2CrCl18 to be Rb6Mn2CrCl12" +mp-676398,Rb2CrCl4,-4.6180042243,-1.9025381879,0.0038380443,-0.0124435271,GGA,C2/m,A4BC2_mC14_12_ei_a_i:Cl-Cr-Rb,7.0,"Invalid WP multiplicities - A4BC2_mC14_12_2f2i_a_i:Cl-Cr-Rb, expected Rb2CrCl8 to be Rb2CrCl4" +mp-33498,Rb2CrCl4,-4.6218422686,-1.9063762321,0.0,-0.0162815714,GGA,Cmce,A4BC2_oC28_64_df_a_d:Cl-Cr-Rb,14.0,"Invalid WP multiplicities - A4BC2_oC28_64_3d3f_a_d:Cl-Cr-Rb, expected Rb2CrCl12 to be Rb2CrCl4" +mp-23483,Rb2CrCl4,-4.2015198371,-1.4860538007,0.4203224314,0.40404086,GGA,I4/mmm,A4BC2_tI14_139_de_a_e:Cl-Cr-Rb,7.0,A4BC2_tI14_139_de_a_e:Cl-Cr-Rb +mp-23521,Rb2CrCl4,-4.1521103057,-1.4366442693,0.4697319629,0.4534503914,GGA,I4/mmm,A4BC2_tI14_139_g_a_e:Cl-Cr-Rb,7.0,A4BC2_tI14_139_g_a_e:Cl-Cr-Rb +mp-570910,Rb2CrCl4,-4.6186824486,-1.9032164121,0.00315982,-0.0131217514,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Cr-Rb,7.0,"Invalid WP multiplicities - A4BC2_tI14_139_2c2e_a_e:Cl-Cr-Rb, expected Rb2CrCl8 to be Rb2CrCl4" +mp-568864,RbCrCl3,-4.973847344,-1.7380090395,0.02157158,0.02157158,GGA,C2,A3BC_mC40_5_6c_abc_2c:Cl-Cr-Rb,20.0,"Invalid WP multiplicities - A3BC_mC40_5_12c_abc_3c:Cl-Cr-Rb, expected Rb3(CrCl6)2 to be RbCrCl3" +mp-568887,RbCrCl3,-4.967128819,-1.7312905145,0.028290105,0.028290105,GGA,C2/m,A3BC_mC20_12_ij_ac_i:Cl-Cr-Rb,10.0,"Invalid WP multiplicities - A3BC_mC20_12_2i2j_ad_i:Cl-Cr-Rb, expected RbCrCl6 to be RbCrCl3" +mp-30027,RbCrCl3,-4.9758304225,-1.739992118,0.0195885015,0.0195885015,GGA,C2/c,A3BC_mC40_15_3f_ae_f:Cl-Cr-Rb,20.0,A3BC_mC40_15_3f_ce_f:Cl-Cr-Rb +mp-568757,Hg6MoAs4Cl7,-3.1482761772,-0.6902782583,0.0096455782,0.0096455782,GGA,Pa-3,A4B7C6D_cP72_205_2c_ad_d_b:As-Cl-Hg-Mo,72.0,"Invalid WP multiplicities - A4B7C6D_cP72_205_9c_2a3d_d_b:As-Cl-Hg-Mo, expected Hg6Mo(As9Cl10)2 to be Hg6MoAs4Cl7" +mp-27779,Hg(Mo3Cl7)2,-5.6479344113,-1.3023584939,0.0,-0.0059076005,GGA,Pn-3,A14BC6_cP84_201_e2h_b_h:Cl-Hg-Mo,84.0,A14BC6_cP84_201_e2h_b_h:Cl-Hg-Mo +mp-1111845,Cs2LiNdBr6,-3.975474006,-2.1968695037,0.0,-0.0339637945,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Nd +mp-568854,CsReBrCl3,-4.8825600392,-1.4761320613,0.0187724198,0.0187724198,GGA,Ama2,AB3CD_oC72_40_bc_3b3c_a2b_bc:Br-Cl-Cs-Re,36.0,"Invalid WP multiplicities - AB3CD_oC72_40_2bc_6b10c_2a4b_2b2c:Br-Cl-Cs-Re, expected Cs3Re3Br2Cl13 to be CsReBrCl3" +mp-567702,CsReCl4,-4.9972984122,-1.541619046,0.0182708686,0.0182708686,GGA,Ama2,A4BC_oC72_40_4b4c_a2b_bc:Cl-Cs-Re,36.0,"Invalid WP multiplicities - A4BC_oC72_40_8b16c_2a3b_2b3c:Cl-Cs-Re, expected Cs5(ReCl5)8 to be CsReCl4" +mp-1219236,Re3Br8Cl,-5.1792682408,-0.8787395029,0.0,-0.2162728733,GGA,Cm,A8BC3_mC48_8_6a5b_b_2a2b:Br-Cl-Re,24.0,A8BC3_mC48_8_6a5b_b_2a2b:Br-Cl-Re +mp-567942,Cs2ReCl6,-4.5580847478,-1.7440234268,0.0,-0.1155678175,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Re,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Re +mp-1113018,Cs2LiDyCl6,-4.430768312,-2.4909948709,0.0,-0.0017661778,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-Li +mp-1111659,Na2LiBiCl6,-3.659797623,-1.7112293686000002,0.121721159,0.121721159,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Li-Na +mp-1111851,Cs2LiBiCl6,-3.833389476,-1.9702458059,0.0090264408,0.0090264408,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-Li +mp-12490,CsHoCdTe3,-3.92599745,-1.287561003,0.0,-0.014204181,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Ho-Te,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Cd-Cs-Ho-Te, expected CsHoCdTe5 to be CsHoCdTe3" +mp-1216824,Tl8SnTe6Pb,-3.3119923969,-0.4692924307,0.0024323295,0.0024323295,GGA,I4/m,ABC6D8_tI32_87_a_b_eh_i:Pb-Sn-Te-Tl,16.0,ABC6D8_tI32_87_a_b_eh_i:Pb-Sn-Te-Tl +mp-1096388,TlSnPb2,-2.25020541,1.1991718754,1.2010723037,1.2010723037,GGA,Immm,A2BC_oI8_71_e_a_b:Pb-Sn-Tl,4.0,A2BC_oI8_71_e_a_b:Pb-Sn-Tl +mp-20740,Tl4Te3Pb,-3.3126424869,-0.4885003198,0.0,-0.0036551522,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Pb-Te-Tl,16.0,"Invalid WP multiplicities - AB3C4_tI32_140_c_a2h_l:Pb-Te-Tl, expected Tl4Te5Pb to be Tl4Te3Pb" +mp-1197430,Cs2NaAs7,-3.9301167623,-0.357400875,0.0,-0.0091694516,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:As-Cs-Na,40.0,A7B2C_mP40_14_7e_2e_e:As-Cs-Na +mp-989608,Cs2NaAsCl6,-3.713342464,-1.8269756237,0.015452915,0.015452915,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-Na +mp-1114026,Rb2NaAuBr6,-2.965374327,-1.3778097852,0.118751003,0.118751003,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Na-Rb +mp-1111705,Na3AuBr6,-2.804311287,-1.148348501,0.2316007725,0.2316007725,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Br-Na,10.0,AB6C3_cF40_225_a_e_bc:Au-Br-Na +mp-989514,Cs2NaSbCl6,-3.751326644,-1.9179715202,0.001320617,0.001320617,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Sb +mp-1190156,Ba2GdGaSe5,-6.1832832022,-1.9142025877,1.32694e-05,1.32694e-05,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Gd-Se,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Gd-Se +mp-1112492,Cs2TlGaBr6,-3.240071851,-1.5901004617,0.0694253667,0.0694253667,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-Tl +mp-1110566,Cs2NaAsBr6,-3.316161396,-1.6070995537,0.0,-0.0214332375,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-Na +mp-672244,GdAl4Ge2Au,-5.4709372437,-0.273641835,0.1571507,0.1571507,GGA,R-3m,A4BCD2_hR24_166_2c_a_b_c:Al-Au-Gd-Ge,8.0,"Invalid WP multiplicities - A4BCD2_hR24_166_4c_a_b_c:Al-Au-Gd-Ge, expected GdAl8Ge2Au to be GdAl4Ge2Au" +mp-1025129,TmSnGe,-4.953540405,-0.5840620272,0.0,-0.0095567679,GGA,Cmcm,ABC_oC12_63_c_c_c:Ge-Sn-Tm,6.0,ABC_oC12_63_c_c_c:Ge-Sn-Tm +mp-1207690,TmMn6(Sn2Ge)2,-6.7425562285,-0.2246892819,0.0,-0.0254344804,GGA,P6/mmm,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Tm,13.0,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Tm +mp-1220507,NdGa7Fe5,-5.5333299554,-0.2783356754,0.0252624265,0.0252624265,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Fe-Ga-Nd,13.0,A5B7C_oI26_44_ae_a2b2c_b:Fe-Ga-Nd +mp-1202920,Nd6GaFe13,-7.1328685395,-0.0455057221,0.0142972082,0.0142972082,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Ga-Nd,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Ga-Nd +mp-1201347,Nd(Ga4Fe)2,-4.5009924068,-0.3252689493,0.0369876318,0.0369876318,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Nd,44.0,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Nd +mp-1209923,Nd(Ga2Fe)4,-5.1163317238,-0.2799470737,0.0394830699,0.0394830699,GGA,I4/mmm,A4B8C_tI26_139_f_ij_a:Fe-Ga-Nd,13.0,A4B8C_tI26_139_f_ij_a:Fe-Ga-Nd +mp-1106126,Nd2Ga2Fe15,-7.5104399726,-0.0029239168,0.1209034226,0.1209034226,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Nd,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Nd +mp-1221312,Nd6Ga3Fe11,-6.6940967108,-0.1509264121,0.0284823789,0.0284823789,GGA,I4cm,A11B3C6_tI80_108_b3cd_ac_2a2c:Fe-Ga-Nd,40.0,A11B3C6_tI80_108_b3cd_ac_2a2c:Fe-Ga-Nd +mp-1192755,Nd3GaFeSe7,-5.7806826137,-1.5911876243,0.0271123892,0.0271123892,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Nd-Se,24.0,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Nd-Se +mp-1220971,Nd(GaFe)6,-5.96136997,-0.2877660602,0.0,-1.14427e-05,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Nd,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Nd +mp-1112531,Cs2RbAlBr6,-3.473781145,-1.8902726823,0.065561272,0.065561272,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-Rb +mp-1111785,CsRb2AlBr6,-3.418302295,-1.8262806623,0.124692732,0.124692732,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-Cs-Rb +mp-569687,CuHgSeCl,-3.0527904594,-0.6159566662,0.0027119103,0.0027119103,GGA,Pbam,ABCD_oP16_55_g_g_h_h:Cl-Cu-Hg-Se,16.0,ABCD_oP16_55_g_g_h_h:Cl-Cu-Hg-Se +mp-1103730,Na4Mg(GeSe3)2,-3.9536647108,-1.0989027262,0.0,-0.0052761738,GGA,C2,A2BC4D6_mC26_5_c_a_a3b_3c:Ge-Mg-Na-Se,13.0,A2BC4D6_mC26_5_c_a_a3b_3c:Ge-Mg-Na-Se +mp-14786,Ba(Cu2As)4,-4.3216088754,-0.2178318046,0.0,-0.0192581545,GGA,I4/m,A4BC8_tI26_87_h_a_2h:As-Ba-Cu,13.0,"Invalid WP multiplicities - A4BC8_tI26_87_h_a_3h:As-Ba-Cu, expected Ba(Cu3As)4 to be Ba(Cu2As)4" +mp-1078636,Ba2ZnAs2,-3.833403321,-0.950217261,0.0,-0.0739598815,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-Ba-Zn,10.0,A2B2C_oI20_72_j_j_a:As-Ba-Zn +mp-9247,Ba(CuAs)2,-4.400857854,-0.5137328360000001,0.0,-0.0312207369,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Cu,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Cu +mp-1214271,BaZn2Cu2As3,-3.7302000425,-0.4034212031,0.0280400157,0.0280400157,GGA,Cmcm,A3BC2D2_oC32_63_cf_c_f_f:As-Ba-Cu-Zn,16.0,A3BC2D2_oC32_63_cf_c_f_f:As-Ba-Cu-Zn +mp-1079622,Ba3(ZnAs2)2,-3.84454642,-0.8542257911000001,0.0,-0.0070087952,GGA,C2/m,A4B3C2_mC18_12_2i_ai_i:As-Ba-Zn,9.0,A4B3C2_mC18_12_2i_ai_i:As-Ba-Zn +mp-7427,Ba(ZnAs)2,-3.4289543555,-0.6776145615,0.0,-0.1140012206,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:As-Ba-Zn,20.0,A2BC2_oP20_62_2c_c_2c:As-Ba-Zn +mp-570198,Ba(ZnAs)2,-3.399677258,-0.648337464,0.0292770975,-0.0847241231,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Zn,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Zn +mp-16052,Ba(Cu2As)2,-4.2764003571,-0.3286805814,0.0382714443,0.0382714443,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Ba-Cu,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_4c:As-Ba-Cu, expected Ba(Cu4As)2 to be Ba(Cu2As)2" +mp-9898,BaCuAs,-4.3082657717,-0.7491657667,0.0,-0.0873269793,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Ba-Cu,6.0,ABC_hP6_194_c_a_d:As-Ba-Cu +mp-505215,Ba(Cu3As)2,-4.25392428,-0.27254075,0.0128663811,0.0128663811,GGA,P4/mmm,A2BC6_tP9_123_h_b_aci:As-Ba-Cu,9.0,A2BC6_tP9_123_h_b_aci:As-Ba-Cu +mp-5094,Co2(GeSe)3,-5.351588405,-0.5299067065,0.0,-0.1058291408,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Co-Ge-Se,32.0,A2B3C3_hR96_148_cf_2f_2f:Co-Ge-Se +mp-1213845,CoCu2GeSe4,-4.6686213238,-0.4294457112,0.0604306112,0.0604306112,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Co-Cu-Ge-Se,16.0,AB2CD4_oP16_31_a_b_a_2ab:Co-Cu-Ge-Se +mp-1226052,CoCu2GeSe4,-4.6878403212,-0.4486647087,0.0412116137,0.0412116137,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Co-Cu-Ge-Se,8.0,AB2CD4_tI16_82_a_bc_d_g:Co-Cu-Ge-Se +mp-19955,Co2CuGe2,-5.695419884,-0.18304029,0.0,-0.009097683,GGA,Pmma,A2BC2_oP10_51_ae_d_ef:Co-Cu-Ge,10.0,A2BC2_oP10_51_ae_d_ef:Co-Cu-Ge +mp-1096419,Co2CuGe,-3.4128508575,2.3218666712,2.4362668525,2.4362668525,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Cu-Ge,4.0,A2BC_oI8_71_e_a_b:Co-Cu-Ge +mp-1227031,Cd2InCuSe4,-3.5660502987,-0.7310108199,0.0311020031,0.0311020031,GGA,Cm,A2BCD4_mC16_8_2a_a_a_4a:Cd-Cu-In-Se,8.0,A2BCD4_mC16_8_2a_a_a_4a:Cd-Cu-In-Se +mp-1181990,CdInCu3Se4,-3.66569786,-0.3372712588,0.2437326817,0.2437326817,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-In-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cd-Cu-In-Se +mp-1104843,ZnCu2SiSe4,-4.2411460256,-0.6327559143,0.0047766644,-0.0069731819,GGA,Pmn2_1,A2B4CD_oP16_31_b_2ab_a_a:Cu-Se-Si-Zn,16.0,A2B4CD_oP16_31_b_2ab_a_a:Cu-Se-Si-Zn +mp-1232332,ZnCu2SiSe4,-4.24592269,-0.6375325787,0.0,-0.0117498463,GGA,I-4,A2B4CD_tI16_82_ac_g_b_d:Cu-Se-Si-Zn,8.0,A2B4CD_tI16_82_ac_g_b_d:Cu-Se-Si-Zn +mp-1232397,ZnCu2SiSe4,-4.2405973,-0.6322071887,0.00532539,-0.0064244563,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Cu-Se-Si-Zn,8.0,A2B4CD_tI16_121_d_i_a_b:Cu-Se-Si-Zn +mp-1184642,Ho2ZnCu,-3.9254366775,-0.2944946725,0.01417978,0.01417978,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Zn +mp-1212415,Ho3Cu11Si4,-4.7873873792,-0.3129555958,0.0644675686,0.0644675686,GGA,P6_3/mmc,A11B3C4_hP36_194_fhk_h_bg:Cu-Ho-Si,36.0,A11B3C4_hP36_194_fhk_h_bg:Cu-Ho-Si +mp-1223814,HoCuSi,-5.31232661,-0.61001542,0.0360584283,-0.0118795853,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Ho-Si,3.0,ABC_hP3_187_a_d_e:Cu-Ho-Si +mp-4476,HoCuSi,-5.3483850383,-0.6460738483,0.0,-0.0479380136,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Ho-Si,6.0,ABC_hP6_194_c_a_d:Cu-Ho-Si +mp-1223928,Ho2ZnCuSi2,-4.837642185,-0.6085748383,0.0119228275,0.0119228275,GGA,Pmm2,AB2C2D_oP6_25_a_cd_ab_b:Cu-Ho-Si-Zn,6.0,AB2C2D_oP6_25_a_cd_ab_b:Cu-Ho-Si-Zn +mp-31423,Ho3(CuSi)4,-5.3282331664,-0.6150217655,0.0,-0.0078836127,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Ho-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Ho-Si +mp-4105,Ho(CuSi)2,-5.286706972,-0.560415318,0.0,-0.0993577128,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Ho-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Ho-Si +mp-1223786,HoZnSi,-4.3507449867,-0.5949214833,0.0,-0.0360983301,GGA,P-6m2,ABC_hP3_187_b_c_e:Ho-Si-Zn,3.0,ABC_hP3_187_b_c_e:Ho-Si-Zn +mp-574426,CsCeCdSe3,-4.6162052217,-1.5763526017,0.0,-0.1138438193,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cd-Ce-Cs-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_a_c_2cf:Cd-Ce-Cs-Se, expected CsCeCdSe4 to be CsCeCdSe3" +mp-34175,Ce2CdSe4,-5.482293185,-1.6576197592000002,0.0884739277,0.0884739277,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Ce-Se,14.0,AB2C4_tI28_122_a_d_e:Cd-Ce-Se +mp-1206553,Rb2LiRuCl6,-4.170371169,-1.7468098178,0.0,-0.019425593,GGA,P-3m1,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-Ru,10.0,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-Ru +mp-1113592,Cs2GdAgCl6,-5.19227565,-2.2132053553,0.0,-0.0104868333,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Gd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Gd +mp-9780,RbHfAgTe3,-4.8487146033,-0.982015139,0.0,-0.0631777733,GGA,P2_1/m,ABCD3_mP12_11_e_e_e_3e:Ag-Hf-Rb-Te,12.0,"Invalid WP multiplicities - ABCD3_mP12_11_e_e_e_6e:Ag-Hf-Rb-Te, expected RbHfAgTe6 to be RbHfAgTe3" +mp-573727,Bi8SbAuBr9,-3.5237053767,-0.7813868899,0.0314042068,0.0314042068,GGA,P2_1/c,AB8C9D_mP76_14_e_8e_9e_e:Au-Bi-Br-Sb,76.0,"Invalid WP multiplicities - AB8C9D_mP76_14_e_30e_33e_e:Au-Bi-Br-Sb, expected Bi30SbAuBr33 to be Bi8SbAuBr9" +mp-1113978,Rb2LiEuCl6,-4.799299486,-2.2774782088,0.0186855415,0.0186855415,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Li-Rb +mp-27899,Cd3AsCl3,-2.8614070679,-1.0080645443,0.0,-0.0058520275,GGA,Pnma,AB3C3_oP28_62_c_a2c_cd:As-Cd-Cl,28.0,AB3C3_oP28_62_c_a2c_cd:As-Cd-Cl +mp-1214272,Cd4As2Cl3,-2.8726927722,-0.8109810133,0.0,-0.0073366238,GGA,Pa-3,A2B4C3_cP72_205_2c_cd_d:As-Cd-Cl,72.0,A2B4C3_cP72_205_2c_cd_d:As-Cd-Cl +mp-27776,Cd2AsCl2,-2.981161969,-0.94076772,0.0027246842,0.0027246842,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:As-Cd-Cl,20.0,AB2C2_mP20_14_e_2e_2e:As-Cd-Cl +mp-1227201,Cd2Hg13(As2Cl3)4,-2.5269191139,-0.6626616446,0.0,-0.01748946,GGA,P2_1/c,A8B2C12D13_mP70_14_4e_bc_6e_a6e:As-Cd-Cl-Hg,70.0,"Invalid WP multiplicities - A8B2C12D13_mP70_14_8e_bc_18e_a18e:As-Cd-Cl-Hg, expected Cd2Hg37(As4Cl9)4 to be Cd2Hg13(As2Cl3)4" +mp-1113397,Rb2CeAuCl6,-4.231927355,-2.006001429,0.12877035,0.12877035,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Ce-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Ce-Cl-Rb +mp-1078265,Cs2YbCl4,-4.1125141757,-2.5804342237,0.0,-0.0069464514,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:Cl-Cs-Yb,,A4B2C_tI14_139_ce_e_a:Cl-Cs-Yb +mp-1213383,CsYb2Cl7,-3.8890921062,-2.197654551,0.0202014643,0.0202014643,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Yb,,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Yb +mp-1210324,Na3YbCl6,-3.7364880445,-2.0766476325,0.103894829,0.103894829,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Cl-Na-Yb,,A6B3C_mP20_14_3e_ae_b:Cl-Na-Yb +mp-1210120,NaYbCl4,-3.8168411833,-2.1074611478,0.1203652358,0.1203652358,GGA,P2/c,A4BC_mP12_13_2g_e_f:Cl-Na-Yb,,A4BC_mP12_13_2g_e_f:Cl-Na-Yb +mp-1213746,Cs2YbCl5,-3.78693221,-2.2152951695,0.0425847763,0.0425847763,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Yb,,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Yb +mp-567172,Cs2NaYbCl6,-3.779259445,-2.2048436172,0.07075157,0.07075157,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Yb,,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Yb +mp-1070599,CsYbCl3,-4.297026958,-2.7009028316,0.0,-0.0271942755,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Cl-Cs-Yb,,A3BC_cP5_221_c_a_b:Cl-Cs-Yb +mp-1111447,Cs2TmCuCl6,-4.306836222,-2.1611295423,0.0398920312,0.0398920312,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Tm +mp-1114023,Rb2NaDyCl6,-4.362160109,-2.4640000852,0.0,-0.0018824723,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-Na-Rb +mp-1114414,Rb2LiAuCl6,-3.377859588,-1.5543502908,0.124275282,0.124275282,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Li-Rb +mp-1221622,MnCoSnRh,-7.1676074875,-0.2565542845,0.0213846775,0.0213846775,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Co-Mn-Rh-Sn,4.0,ABCD_cF16_216_a_c_b_d:Co-Mn-Rh-Sn +mp-1018085,CoSnRh2,-6.6737653325,-0.212138985,0.059841915,0.059841915,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Co-Rh-Sn,4.0,AB2C_tI8_139_a_d_b:Co-Rh-Sn +mp-1112120,Cs2RbScCl6,-4.46085253,-2.4413497418,0.005919931,0.005919931,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sc +mp-1111707,CsRb2ScCl6,-4.394669326,-2.3666533678,0.0574673607,0.0574673607,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Sc +mp-570076,Tl2CdSnTe4,-3.2981288925,-0.5192574573000001,0.0093608223,0.0093608223,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Cd-Sn-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Cd-Sn-Te-Tl +mp-1112994,Cs2NaAuCl6,-3.329849403,-1.5820062032000002,0.106581959,0.106581959,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Na +mp-570828,AlHg2SbCl4,-3.2728802856,-1.2883697306,0.0003616392,-0.0552081928,GGA,Pna2_1,AB4C2D_oP64_33_2a_8a_4a_2a:Al-Cl-Hg-Sb,64.0,"Invalid WP multiplicities - AB4C2D_oP64_33_5a_27a_13a_4a:Al-Cl-Hg-Sb, expected Al5Hg13Sb4Cl27 to be AlHg2SbCl4" +mp-568001,AlHg2SbCl4,-3.2732419248,-1.2887313698,0.0,-0.055569832,GGA,Pbcn,AB4C2D_oP64_60_d_4d_acd_d:Al-Cl-Hg-Sb,64.0,"Invalid WP multiplicities - AB4C2D_oP64_60_d_22d_3a3c4d_d:Al-Cl-Hg-Sb, expected AlHg7SbCl22 to be AlHg2SbCl4" +mp-1210730,Na2MgAs2,-1.841428674,0.8712848154,1.4078117435,1.4078117435,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Mg-Na,5.0,A2BC2_tP5_123_g_a_g:As-Mg-Na +mp-1221011,NaMg4Ag3As4,-3.06814845,-0.1633328564,0.2587580295,0.2587580295,GGA,Pmm2,A3B4C4D_oP12_25_be_acf_acf_d:Ag-As-Mg-Na,12.0,"Invalid WP multiplicities - A3B4C4D_oP12_25_b2e_ac2f_ac2f_d:Ag-As-Mg-Na, expected NaMg6Ag5As6 to be NaMg4Ag3As4" +mp-3477,MgAgAs,-3.2412532233,-0.2106017372,0.1400541065,0.1400541065,GGA,F-43m,ABC_cF12_216_c_a_b:Ag-As-Mg,3.0,ABC_cF12_216_c_a_b:Ag-As-Mg +mp-1206939,Na2Mg2As,-1.135901344,0.9650444744,1.3516689135,1.3516689135,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:As-Mg-Na,5.0,AB2C2_tP5_123_a_g_g:As-Mg-Na +mp-5962,NaMgAs,-3.1637039283,-0.6363960122,0.0,-0.1045021015,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Mg-Na,6.0,ABC_tP6_129_c_a_c:As-Mg-Na +mp-1224656,La5Ga4SnSb10,-4.899212428,-0.7946122345000001,0.002400214,0.002400214,GGA,P1,A4B5C10D_aP40_1_8a_10a_20a_2a:Ga-La-Sb-Sn,40.0,A4B5C10D_aP40_1_8a_10a_20a_2a:Ga-La-Sb-Sn +mp-1206302,LaGaSb2,-4.8523824413,-0.7968560394,0.0111414662,0.0111414662,GGA,C222_1,ABC2_oC16_20_b_a_2a:Ga-La-Sb,8.0,ABC2_oC16_20_b_a_2a:Ga-La-Sb +mp-1223181,La4SnSb2,-5.6400359686,-1.0669498607,0.0,-0.0013265253,GGA,I-42d,A4B2C_tI28_122_e_d_a:La-Sb-Sn,14.0,A4B2C_tI28_122_e_d_a:La-Sb-Sn +mp-675535,La2SnSb4,-4.97053732,-0.6280243164,0.2326296493,0.2326296493,GGA,P2_1/c,A2B4C_mP14_14_e_2e_a:La-Sb-Sn,14.0,"Invalid WP multiplicities - A2B4C_mP14_14_e_5e_a:La-Sb-Sn, expected La2SnSb10 to be La2SnSb4" +mp-1111472,Rb2AlAgCl6,-3.824767699,-1.8617257052,0.0525103666,0.0525103666,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Rb +mp-1111710,CsRb2AlCl6,-3.891162299,-2.1218356683,0.1059214048,0.1059214048,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Cs-Rb +mp-1112525,Cs2RbAlCl6,-3.948100198,-2.1872867373,0.0424858578,0.0424858578,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-Rb +mp-1216636,Tl2Cu2SnTe4,-3.6455687844,-0.3670693331,0.0309149855,0.0309149855,GGA,Fmm2,A2BC4D2_oF36_42_c_a_cd_b:Cu-Sn-Te-Tl,9.0,A2BC4D2_oF36_42_c_a_cd_b:Cu-Sn-Te-Tl +mp-1112122,Cs2RbSbCl6,-3.720956246,-1.9218002443,0.02454308,0.02454308,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sb +mp-1111777,CsRb2SbCl6,-3.653463203,-1.8457940313,0.0773072757,0.0773072757,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Sb +mp-989571,Cs2NaInCl6,-3.714611865,-2.0189884922,0.0,-0.0133180875,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Na +mp-1227251,CaMnFeGe2,-6.11865715,-0.3419187316,0.0,-0.0065036263,GGA,I-4m2,ABC2D_tI10_119_c_a_f_b:Ca-Fe-Ge-Mn,5.0,ABC2D_tI10_119_c_a_f_b:Ca-Fe-Ge-Mn +mp-19824,Ca(MnGe)2,-6.253523512,-0.3383862772,0.0,-0.000617809,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Mn +mp-20235,CaMnGe,-5.614318575,-0.3507708993,0.0901583524,0.0901583524,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ca-Ge-Mn,6.0,ABC_tP6_129_c_c_a:Ca-Ge-Mn +mp-21116,CeCoGe3,-5.958657668,-0.576559565,0.0,-0.047937297,GGA,I4mm,ABC3_tI10_107_a_a_ab:Ce-Co-Ge,5.0,"Invalid WP multiplicities - ABC3_tI10_107_a_a_a2b:Ce-Co-Ge, expected CeCoGe5 to be CeCoGe3" +mp-1071448,CeGaCo,-5.9172707483,-0.5607697575,0.0,-0.139335835,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Co-Ga,6.0,ABC_mC12_12_i_i_i:Ce-Co-Ga +mp-1194086,CeCo9Ge4,-6.5788119479,-0.2645218957,0.0072204743,0.0072204743,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ce-Co-Ge,28.0,AB9C4_tI56_140_a_dkl_l:Ce-Co-Ge +mp-1188584,Ce2Co3Ge5,-6.2321102875,-0.6014831905,0.0,-0.0226898925,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Ce-Co-Ge,20.0,A2B3C5_oI40_72_j_aj_bfj:Ce-Co-Ge +mp-1192313,Ce8Ga3Co,-5.6014670158,-0.296690424,0.0109410792,0.0109410792,GGA,P6_3mc,A8BC3_hP24_186_ab2c_b_c:Ce-Co-Ga,24.0,A8BC3_hP24_186_ab2c_b_c:Ce-Co-Ga +mp-1196595,Ce(Ga4Co)2,-4.4163643686,-0.3823195573,0.0,-0.0087889436,GGA,Pbam,AB2C8_oP44_55_g_2g_ad2g5h:Ce-Co-Ga,44.0,AB2C8_oP44_55_g_2g_ad2g5h:Ce-Co-Ga +mp-1106200,Ce2Ga2Co15,-6.6765122042,-0.1213997158,0.0556854708,0.0556854708,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Ce-Co-Ga,19.0,A2B15C2_hR57_166_c_dfh_c:Ce-Co-Ga +mp-1214556,Ce3CoGe2,-6.317215045,-0.6249415500000001,0.0,-0.0276641565,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Ce-Co-Ge,24.0,A3BC2_oP24_62_3c_c_2c:Ce-Co-Ge +mp-1227509,CeGa2Co3,-5.9411678517,-0.3887954208,0.0,-0.014409625,GGA,P-62m,AB3C2_hP18_189_ad_gj_fg:Ce-Co-Ga,18.0,AB3C2_hP18_189_ad_gj_fg:Ce-Co-Ga +mp-1193354,Ce2Ga9CoGe2,-4.3327727618,-0.3703859034,0.0229398939,0.0229398939,GGA,P4/nmm,A2BC9D2_tP28_129_f_a_c2j_2c:Ce-Co-Ga-Ge,28.0,A2BC9D2_tP28_129_f_a_c2j_2c:Ce-Co-Ga-Ge +mp-1189602,Ce5Ga2Ge,-5.506667485,-0.4635842756,0.0,-0.0176918614,GGA,I4/mcm,A5B2C_tI32_140_cl_h_a:Ce-Ga-Ge,16.0,A5B2C_tI32_140_cl_h_a:Ce-Ga-Ge +mp-1079178,CeCoGe2,-6.2326435,-0.6607778350000001,0.0,-0.0420172683,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Co-Ge,8.0,ABC2_oC16_63_c_c_2c:Ce-Co-Ge +mp-1226599,CeGaGe,-5.130058235,-0.6019872242000001,0.0231470707,0.0231470707,GGA,Imma,ABC_oI12_74_e_e_e:Ce-Ga-Ge,6.0,ABC_oI12_74_e_e_e:Ce-Ga-Ge +mp-1025144,CeGaGe,-5.14648199,-0.6184109792,0.0067233157,0.0067233157,GGA,I4_1md,ABC_tI12_109_a_a_a:Ce-Ga-Ge,6.0,ABC_tI12_109_a_a_a:Ce-Ga-Ge +mp-1006277,CeGa4Co9,-6.0890102204,-0.2304149775,0.0167838461,0.0167838461,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ce-Co-Ga,28.0,AB9C4_tI56_140_a_dkl_l:Ce-Co-Ga +mp-21339,CeCoGe,-6.4774704133,-0.5893254783,0.0,-0.023613919,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Co-Ge,6.0,ABC_tP6_129_c_a_c:Ce-Co-Ge +mp-20933,Ce(CoGe)2,-6.460183122,-0.5810270310000001,0.0,-0.052404763,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Co-Ge,5.0,AB2C2_tI10_139_a_d_e:Ce-Co-Ge +mp-638078,CsTbZnTe3,-4.0149437533,-1.3117054597,0.0,-0.0615467708,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Tb-Te-Zn,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_2c2f_c:Cs-Tb-Te-Zn, expected CsTbZnTe6 to be CsTbZnTe3" +mp-1226188,Dy2(GaNi)5,-5.0041742322,-0.5662794662,0.0,-0.0033432011,GGA,Pm,A2B5C5_mP36_6_2a4b_6a9b_12a3b:Dy-Ga-Ni,36.0,A2B5C5_mP36_6_2a4b_6a9b_12a3b:Dy-Ga-Ni +mp-1185142,Dy4Ga21Ni10,-4.5052532031,-0.5104380422,0.0,-0.0029201866,GGA,C2/m,A4B21C10_mC70_12_2i_a10i_5i:Dy-Ga-Ni,35.0,A4B21C10_mC70_12_2i_a10i_5i:Dy-Ga-Ni +mp-1225386,Dy2Ga3Ni,-4.6371719933,-0.6241722554,0.016902965,0.016902965,GGA,P3m1,A2B3C_hP6_156_2b_a2c_a:Dy-Ga-Ni,6.0,A2B3C_hP6_156_2b_a2c_a:Dy-Ga-Ni +mp-542992,DyGa3Ni2,-4.7756321617,-0.5670741171,0.0001579491,0.0001579491,GGA,P6/mmm,AB3C2_hP18_191_ad_fk_l:Dy-Ga-Ni,18.0,AB3C2_hP18_191_ad_fk_l:Dy-Ga-Ni +mp-1095135,DyGa2Ni,-4.7579988512,-0.64721996,0.0,-0.0454763847,GGA,Cmcm,AB2C_oC16_63_c_f_c:Dy-Ga-Ni,8.0,AB2C_oC16_63_c_f_c:Dy-Ga-Ni +mp-1189966,Dy4Ga12Ni,-4.1323507288,-0.5709132988,0.0,-0.0146039391,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Dy-Ga-Ni,17.0,A4B12C_cI34_229_c_de_a:Dy-Ga-Ni +mp-1101844,DyGa4Ni,-4.2881657925,-0.5382811908,0.0,-0.011024186,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Dy-Ga-Ni,12.0,AB4C_oC24_63_c_acf_c:Dy-Ga-Ni +mp-1206933,Dy2GaNi2,-5.335433868,-0.5750452555000001,0.0,-0.026341343,GGA,Immm,A2BC2_oI10_71_e_c_g:Dy-Ga-Ni,5.0,A2BC2_oI10_71_e_c_g:Dy-Ga-Ni +mp-1225754,DyGaNi,-5.0750118217,-0.6033386408,0.00835622,0.0037842611,GGA,C2/m,ABC_mC12_12_i_i_i:Dy-Ga-Ni,6.0,ABC_mC12_12_i_i_i:Dy-Ga-Ni +mp-1102760,DyGaNi,-5.0833680417,-0.6116948608,0.0,-0.0045719589,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ga-Ni,12.0,ABC_oP12_62_c_c_c:Dy-Ga-Ni +mp-1189487,Dy6GaNi2,-5.0482958539,-0.3561746958,0.0,-0.0036964062,GGA,Immm,A6BC2_oI36_71_lmn_ab_fg:Dy-Ga-Ni,18.0,A6BC2_oI36_71_lmn_ab_fg:Dy-Ga-Ni +mp-1191661,Dy3(GaNi3)2,-5.5142802382,-0.5545190886,0.0,-0.034561494,GGA,Im-3m,A3B2C6_cI44_229_e_c_h:Dy-Ga-Ni,22.0,A3B2C6_cI44_229_e_c_h:Dy-Ga-Ni +mp-1191327,Dy3GaNiSe7,-5.4861626254,-1.5611648282,0.0467452926,0.0467452926,GGA,P6_3,A3BCD7_hP24_173_c_b_a_b2c:Dy-Ga-Ni-Se,24.0,A3BCD7_hP24_173_c_b_a_b2c:Dy-Ga-Ni-Se +mp-1225918,DyGa2Ni3,-5.2260299006,-0.5587984131,0.0,-0.0349454739,GGA,P-62m,AB2C3_hP18_189_ad_fg_gj:Dy-Ga-Ni,18.0,AB2C3_hP18_189_ad_fg_gj:Dy-Ga-Ni +mp-1225640,DyGa3Ni,-4.468346976,-0.5741046585,0.00775204,0.00775204,GGA,I4mm,AB3C_tI10_107_a_ab_a:Dy-Ga-Ni,,AB3C_tI10_107_a_ab_a:Dy-Ga-Ni +mp-1219355,SiAg6HgSe6,-3.5045224582,-0.3831079381,0.0,-0.0115932489,GGA,Pmn2_1,A6BC6D_oP28_31_2a2b_a_4ab_a:Ag-Hg-Se-Si,28.0,A6BC6D_oP28_31_2a2b_a_4ab_a:Ag-Hg-Se-Si +mp-1217737,Tb4Cu7Sn11,-4.43627775,-0.284586773,0.0647359113,0.0647359113,GGA,P4mm,A7B11C4_tP22_99_2ab2c_a2b4c_2a2b:Cu-Sn-Tb,22.0,"Invalid WP multiplicities - A7B11C4_tP22_99_2ab4c_a2b8c_2a2b:Cu-Sn-Tb, expected Tb4Cu11Sn19 to be Tb4Cu7Sn11" +mp-1206421,TbCuSn,-4.8535663283,-0.6058514533,0.0,-0.074058512,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Sn-Tb,6.0,ABC_hP6_186_b_b_a:Cu-Sn-Tb +mp-1019275,TbCuSn,-4.8149089417,-0.5671940667,0.0386573867,-0.0354011253,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Sn-Tb,6.0,ABC_hP6_194_c_d_a:Cu-Sn-Tb +mp-18126,Tb3CuSnSe7,-5.4183275454,-1.5447227814,0.0193665041,0.0193665041,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Sn-Tb,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_b3c_b_c:Cu-Se-Sn-Tb, expected Tb3CuSnSe10 to be Tb3CuSnSe7" +mp-571223,Tb3(CuSn)4,-4.7306404118,-0.5180756482000001,0.0,-0.018140585,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Tb,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_eg_b2f:Cu-Sn-Tb, expected Tb5(CuSn)4 to be Tb3(CuSn)4" +mp-1208378,TbCu5Sn,-4.4216908093,-0.2588377657,0.0008128571,0.0008128571,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sn-Tb,28.0,A5BC_oP28_62_3cd_c_c:Cu-Sn-Tb +mp-1095168,PrCuSn2,-4.698445435,-0.4736314012,0.0339303925,0.0339303925,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Cu-Pr-Sn,8.0,ABC2_oC16_63_c_c_2c:Cu-Pr-Sn +mp-1220000,Pr2CuSn4,-4.8087337157,-0.5659757729,0.0,-0.0025561157,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Cu-Pr-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Cu-Pr-Sn +mp-1209648,PrCu5Sn,-4.4270946282,-0.2433073482,0.0007803332,0.0007803332,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Pr-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Pr-Sn +mp-1206380,Pr2Cu4Sn5,-4.4307772473,-0.2483683868,0.1387063614,0.1387063614,GGA,I4mm,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Pr-Sn,11.0,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Pr-Sn +mp-1210048,PrCu9Sn4,-4.1205801807,0.0017093339,0.1604347871,0.1604347871,GGA,I4/mcm,A9BC4_tI56_140_d2l_a_k:Cu-Pr-Sn,28.0,A9BC4_tI56_140_d2l_a_k:Cu-Pr-Sn +mp-1205484,Pr2(CuSn2)3,-4.55161981,-0.3773595691,0.0052201757,0.0052201757,GGA,I4mm,A3B2C6_tI22_107_ab_2a_2a2b:Cu-Pr-Sn,11.0,A3B2C6_tI22_107_ab_2a_2a2b:Cu-Pr-Sn +mp-975640,Pr3(CuSn)4,-4.7792177636,-0.5266876395,0.0,-0.0224932164,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Pr-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Pr-Sn +mp-1018893,PrCuSn,-4.86609935,-0.5695379233,0.0,-0.0376551022,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Pr-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Pr-Sn +mp-1095111,Pr(CuSn)2,-4.625474784,-0.425782223,0.0,-0.0280014512,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-Pr-Sn,10.0,A2BC2_tP10_129_ac_c_bc:Cu-Pr-Sn +mp-1212347,Pr2(CuSn)3,-2.5182034425,1.7178149431,2.21296964,2.21296964,GGA,P-1,A3B2C3_aP8_2_ai_i_bi:Cu-Pr-Sn,8.0,A3B2C3_aP8_2_ai_i_bi:Cu-Pr-Sn +mp-1207053,Pr2(CuSn)3,-3.6677134975,0.5683048881,1.063459585,1.063459585,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Cu-Pr-Sn,8.0,A3B2C3_tP8_123_ag_g_bg:Cu-Pr-Sn +mp-17243,Pr3CuSnSe7,-5.5002091271,-1.5899694493,0.0,-0.0084742402,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Pr-Se-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b3c_b:Cu-Pr-Se-Sn, expected Pr3CuSnSe10 to be Pr3CuSnSe7" +mp-19738,ErMnSi,-6.8929902833,-0.507972906,0.0366543896,0.0366543896,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Mn-Si,12.0,ABC_oP12_62_c_c_c:Er-Mn-Si +mp-570867,Er3Mn3Ga2Si,-6.2110489689,-0.3587475932,0.1014043892,0.1014043892,GGA,P-62m,A3B2C3D_hP9_189_f_d_g_a:Er-Ga-Mn-Si,9.0,A3B2C3D_hP9_189_f_d_g_a:Er-Ga-Mn-Si +mp-1206071,ErMnSi2,-6.5927098437,-0.4476173032,0.1784093113,0.1784093113,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Er-Mn-Si,,ABC2_oC16_63_c_c_2c:Er-Mn-Si +mp-4729,Er(MnSi)2,-7.354389316,-0.6059122252,0.0,-0.071991906,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Mn-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Mn-Si +mp-622190,Er2Mn3Si5,-6.968239667,-0.5934323024,0.0,-0.0172501643,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Er-Mn-Si,40.0,"Invalid WP multiplicities - A2B3C5_tP40_128_h_2d2h_4e6g5h:Er-Mn-Si, expected ErMn3Si13 to be Er2Mn3Si5" +mp-1079815,PrSi2Rh,-6.6282958412,-0.87933342,8.21319e-05,8.21319e-05,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Pr-Rh-Si,8.0,ABC2_oC16_63_c_c_2c:Pr-Rh-Si +mp-4815,Pr(SiRh)2,-7.145800734,-1.073769223,0.0,-0.2273953726,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Pr-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Pr-Rh-Si +mp-1219923,Pr2CuSi3Rh2,-6.4849431913,-0.90174469,0.0,-0.0145701563,GGA,Amm2,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Pr-Rh-Si,,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Pr-Rh-Si +mp-1219938,Pr2CuSi3Rh2,-6.2789002675,-0.6957017662,0.2060429238,0.1914727675,GGA,Amm2,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Pr-Rh-Si,8.0,AB2C2D3_oC16_38_a_ab_ab_a2b:Cu-Pr-Rh-Si +mp-1072391,Pr2SiRh3,-6.9951124267,-0.8151035683000001,0.0059185604,0.0059185604,GGA,R-3m,A2B3C_hR18_166_c_d_a:Pr-Rh-Si,6.0,A2B3C_hR18_166_c_d_a:Pr-Rh-Si +mp-1221577,Mo2PdRh2,-8.331090447,-0.011130893,0.1613851443,0.1613851443,GGA,P3m1,A2BC2_hP10_156_3ab_2a_4b:Mo-Pd-Rh,10.0,A2BC2_hP10_156_3ab_2a_4b:Mo-Pd-Rh +mp-1221430,MoPdRu2,-8.5655583325,0.0780259175,0.1473419456,0.1473419456,GGA,P-6m2,ABC2_hP4_187_a_b_h:Mo-Pd-Ru,4.0,ABC2_hP4_187_a_b_h:Mo-Pd-Ru +mp-1221431,MoPd2Rh,-7.2068303975,-0.0643999975,0.0656421333,0.0656421333,GGA,R3m,AB2C_hR12_160_a_2a_a:Mo-Pd-Rh,4.0,AB2C_hR12_160_a_2a_a:Mo-Pd-Rh +mp-1221443,MoPdRuRh,-8.1975677925,-0.03150721,0.0957921127,0.0957921127,GGA,P3m1,ABCD_hP4_156_a_a_b_b:Mo-Pd-Rh-Ru,4.0,ABCD_hP4_156_a_a_b_b:Mo-Pd-Rh-Ru +mp-1110995,Na2LaCuCl6,-4.200138602,-1.9229901698,0.2052710895,0.2052710895,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-La-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-La-Na +mp-1196927,Ba4Sm3Cl16,-5.0267977585,-2.7916566835000003,0.0,-0.0003534524,GGA,R-3,A4B16C3_hR138_148_cf_c5f_f:Ba-Cl-Sm,46.0,A4B16C3_hR138_148_cf_c5f_f:Ba-Cl-Sm +mp-1229199,Ba17SrSm12Cl68,-5.0125138882,-2.8019466031,0.0,-0.0013761558,GGA,P4/m,A17B68C12D_tP98_83_a2l_3ijk6l_ghjk_d:Ba-Cl-Sm-Sr,98.0,"Invalid WP multiplicities - A17B68C12D_tP98_83_a15l_8i3j2k45l_2gh3j2k_d:Ba-Cl-Sm-Sr, expected Ba121SrSm26Cl412 to be Ba17SrSm12Cl68" +mp-567646,Ba9Sm6Cl34,-5.016090362,-2.8031814292,0.0,-0.0007136092,GGA,I4/m,A9B34C6_tI98_87_ai_dgh3i_eh:Ba-Cl-Sm,49.0,"Invalid WP multiplicities - A9B34C6_tI98_87_a2i_2d3g4h20i_2e2h:Ba-Cl-Sm, expected Ba17Sm12Cl192 to be Ba9Sm6Cl34" +mp-1227700,BaSr4Cl10,-4.714672234,-2.9038512104,0.0054782033,0.0054782033,GGA,I4/mmm,AB10C4_tI30_139_a_d2g_2e:Ba-Cl-Sr,15.0,"Invalid WP multiplicities - AB10C4_tI30_139_a_2d8g_3e:Ba-Cl-Sr, expected BaSr6Cl36 to be BaSr4Cl10" +mp-1227722,BaSr4Cl10,-4.7151155507,-2.9042945271,0.0050348867,0.0050348867,GGA,R-3m,AB10C4_hR45_166_a_5c_2c:Ba-Cl-Sr,15.0,"Invalid WP multiplicities - AB10C4_hR45_166_a_10c_3c:Ba-Cl-Sr, expected BaSr6Cl20 to be BaSr4Cl10" +mp-1113375,Na2PrCuCl6,-4.237463637,-1.9758253398,0.108790378,0.108790378,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Pr,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Pr +mp-1209505,Rb3Zr6BeCl15,-5.518411765,-2.0906010145,0.0,-0.0568353977,GGA,C2/c,AB15C3D6_mC100_15_c_a7f_ef_3f:Be-Cl-Rb-Zr,50.0,AB15C3D6_mC100_15_a_c7f_ef_3f:Be-Cl-Rb-Zr +mp-676306,Dy7(CuTe4)3,-5.0899671345,-1.3506581068,0.0088440083,0.0088440083,GGA,P1,A3B7C12_aP22_1_3a_7a_12a:Cu-Dy-Te,22.0,A3B7C12_aP22_1_3a_7a_12a:Cu-Dy-Te +mp-1225395,Dy(CuTe)3,-4.4433831521,-0.6813367907,0.0307993168,0.0307993168,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Dy-Te,14.0,A3BC3_hR42_148_f_c_f:Cu-Dy-Te +mp-945779,DyCuTe2,-4.8439189563,-1.0957676321,0.0119810356,0.0119810356,GGA,P2/m,ABC2_mP8_10_m_bc_mn:Cu-Dy-Te,8.0,"Invalid WP multiplicities - ABC2_mP8_10_m_bc_2mn:Cu-Dy-Te, expected DyCuTe3 to be DyCuTe2" +mp-1225283,DyCuTe2,-4.836747825,-1.0885965008,0.0191521669,0.0191521669,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Dy-Te,4.0,ABC2_hP4_156_a_b_ac:Cu-Dy-Te +mp-9503,BaDyCuTe3,-4.79445387,-1.4519728483,0.0,-0.032288884,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Dy-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Dy-Te +mp-6072,TmMn6(GaSn2)2,-6.4433101985,-0.1708173799,0.0018269996,0.0018269996,GGA,P6/mmm,A2B6C4D_hP13_191_c_i_de_a:Ga-Mn-Sn-Tm,13.0,A2B6C4D_hP13_191_c_i_de_a:Ga-Mn-Sn-Tm +mp-1114020,Rb2NaEuCl6,-4.734362477,-2.2711809572,0.019521252,0.019521252,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-Na-Rb +mp-676645,Ga2(Hg4Te5)3,-2.3641708703,-0.4038279453,0.0149770307,0.0149770307,GGA,Cm,A2B12C15_mC58_8_b_4a4b_5a5b:Ga-Hg-Te,29.0,"Invalid WP multiplicities - A2B12C15_mC58_8_b_4a8b_5a10b:Ga-Hg-Te, expected Ga2(Hg4Te5)5 to be Ga2(Hg4Te5)3" +mp-675792,Ga2HgTe4,-3.2126379125,-0.5079099149,0.0345503361,0.0113703368,GGA,P1,A2BC4_aP28_1_8a_4a_16a:Ga-Hg-Te,28.0,A2BC4_aP28_1_8a_4a_16a:Ga-Hg-Te +mp-16337,Ga2HgTe4,-3.2471882486,-0.5424602510000001,0.0,-0.0231799993,GGA,I-4,A2BC4_tI14_82_ac_b_g:Ga-Hg-Te,7.0,A2BC4_tI14_82_ac_b_g:Ga-Hg-Te +mp-1224839,Ga2HgTe4,-3.2355225086,-0.5307945110000001,0.01166574,-0.0115142593,GGA,I-42m,A2BC4_tI14_121_d_a_i:Ga-Hg-Te,7.0,A2BC4_tI14_121_d_a_i:Ga-Hg-Te +mp-1226893,CdGa4HgTe8,-3.3152314757,-0.5662742356,0.0156837286,0.0156837286,GGA,C2,AB4CD8_mC28_5_a_2c_b_4c:Cd-Ga-Hg-Te,14.0,"Invalid WP multiplicities - AB4CD8_mC28_5_a_4c_b_8c:Cd-Ga-Hg-Te, expected CdGa8HgTe16 to be CdGa4HgTe8" +mp-1110713,Rb2LiBiBr6,-3.403387211,-1.7005221988,0.0331822224,0.0331822224,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Li-Rb +mp-505173,NaZrCuTe3,-4.8352462904,-0.9353545782,0.0,-0.0183060725,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Na-Te-Zr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Na-Te-Zr +mp-30019,ZrCu2Te3,-5.0809260208,-0.7182540792000001,0.0,-0.0294941,GGA,C2/m,A2B3C_mC24_12_2i_3i_i:Cu-Te-Zr,12.0,A2B3C_mC24_12_2i_3i_i:Cu-Te-Zr +mp-1112000,Cs2ScTlCl6,-4.416354327,-2.2586406314,0.004454967,0.004454967,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Sc-Tl +mp-1221753,MnCr4CdSe8,-6.2870457757,-0.8110181505,0.0,-0.0093960682,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Mn-Se,14.0,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Mn-Se +mp-1192914,Lu2PbSe4,-5.5493630914,-1.7296210885,0.0210532271,0.0210532271,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Lu-Pb-Se,28.0,A2BC4_oP28_62_2c_c_4c:Lu-Pb-Se +mp-16753,LuCuPb,-4.4432321983,-0.332297445,0.0,-0.0378101637,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Lu-Pb,6.0,ABC_hP6_186_b_a_b:Cu-Lu-Pb +mp-865492,LuCuPbSe3,-5.02273544,-1.2193123245,0.0017650694,0.0017650694,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cu-Lu-Pb-Se,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_5a:Cu-Lu-Pb-Se, expected LuCuPbSe5 to be LuCuPbSe3" +mp-583052,LuCuPbSe3,-5.0240582092,-1.2206350937,0.0004423002,0.0004423002,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Lu-Pb-Se,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_11c:Cu-Lu-Pb-Se, expected LuCuPbSe11 to be LuCuPbSe3" +mp-1205378,LuCuPbSe3,-5.0235670442,-1.2201439287,0.0009334652,0.0009334652,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cu-Lu-Pb-Se,12.0,ABCD3_oC24_63_c_a_c_cf:Cu-Lu-Pb-Se +mp-1210658,Lu5CuPb3,-4.6308707639,-0.426215155,0.0030031457,0.0030031457,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Lu-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cu-Lu-Pb +mp-1226516,CeNiSb,-6.11120449,-0.8304621317,0.0,-0.0150299833,GGA,P-6m2,ABC_hP3_187_b_c_e:Ce-Ni-Sb,3.0,ABC_hP3_187_b_c_e:Ce-Ni-Sb +mp-1078924,Ce(NiSb)2,-5.852590614,-0.702317615,0.0,-0.0402095098,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ni-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Ni-Sb +mp-1226918,Ce(NiSb)2,-5.684676092,-0.534403093,0.167914522,0.1277050122,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ni-Sb,5.0,AB2C2_tI10_139_a_e_d:Ce-Ni-Sb +mp-1227577,Ce4Ni4Bi3Sb5,-5.673060115,-0.7343490569000001,0.0,-0.0281073361,GGA,P-4m2,A3B4C4D5_tP16_115_abc_2g_ef_d2g:Bi-Ce-Ni-Sb,16.0,"Invalid WP multiplicities - A3B4C4D5_tP16_115_abc_3g_ef_d3g:Bi-Ce-Ni-Sb, expected Ce6Ni4Bi3Sb7 to be Ce4Ni4Bi3Sb5" +mp-1226853,Ce5BiSb4,-6.099170124,-1.0969761375,0.0,-0.005916499,GGA,R-3m,AB5C4_hR30_166_a_b2c_2c:Bi-Ce-Sb,10.0,"Invalid WP multiplicities - AB5C4_hR30_166_a_b4c_3c:Bi-Ce-Sb, expected Ce9BiSb6 to be Ce5BiSb4" +mp-579812,CeNiSb3,-5.5265871438000005,-0.7065412328,0.0021607372,-0.0113368153,GGA,Pbcm,ABC3_oP60_57_de_ce_c2d3e:Ce-Ni-Sb,60.0,"Invalid WP multiplicities - ABC3_oP60_57_4d3e_2c3e_4c6d22e:Ce-Ni-Sb, expected Ce5Ni4Sb27 to be CeNiSb3" +mp-568237,CeNiSb3,-5.528747881,-0.70870197,0.0,-0.0134975525,GGA,Pbcm,ABC3_oP40_57_cd_e_2c2de:Ce-Ni-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_4c4d_e_7c8d6e:Ce-Ni-Sb, expected Ce8Ni2Sb27 to be CeNiSb3" +mp-22539,CeNiSb2,-5.8091952413,-0.8163881625,0.0,-0.0360667375,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ce-Ni-Sb,8.0,ABC2_tP8_129_c_a_bc:Ce-Ni-Sb +mp-1227331,Ce4Ni3Bi8,-5.3275515573,-0.5411062440000001,0.0,-0.0432388091,GGA,P-4m2,A8B4C3_tP15_115_ef2g_2g_abc:Bi-Ce-Ni,15.0,"Invalid WP multiplicities - A8B4C3_tP15_115_ef4g_4g_abc:Bi-Ce-Ni, expected Ce8(NiBi4)3 to be Ce4Ni3Bi8" +mp-1203042,Cs6Dy21Te34Cl,-5.0805170858,-1.6799384583,0.0,-0.0632254136,GGA,C2/m,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Dy-Te,62.0,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Dy-Te +mp-1114113,Rb2TlSbBr6,-3.276138885,-1.4990506338,0.0403063088,0.0403063088,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Sb-Tl +mp-1179525,ScCu3PbSe4,-4.7535656944,-0.7173010172000001,0.1470892131,0.1470892131,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Pb-Sc-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Pb-Sc-Se +mp-542826,Sc2PbSe4,-5.9658185046,-1.6284997631,0.0201545414,0.0201545414,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Pb-Sc-Se,28.0,AB2C4_oP28_62_c_2c_4c:Pb-Sc-Se +mp-1111118,Na2InCuCl6,-3.533751862,-1.4750357673,0.125347648,0.125347648,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-Na +mp-1097079,ScCuHg2,-1.442373905,1.3173852213,1.5405081006,1.5405081006,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Hg-Sc,4.0,AB2C_oI8_71_a_e_b:Cu-Hg-Sc +mp-1096582,Sc2CuHg,-2.2959773825,1.9709789288,2.32614499,2.32614499,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Hg-Sc,4.0,ABC2_oI8_71_a_b_e:Cu-Hg-Sc +mp-1179516,ScCu3HgSe4,-4.3330507122,-0.6755601133,0.1099636842,0.1099636842,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-Sc-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-Sc-Se +mp-1093606,ScCu2Hg,-2.16091987,1.5477208325,1.7624892550000002,1.7624892550000002,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Hg-Sc,4.0,A2BC_oI8_71_e_a_b:Cu-Hg-Sc +mp-1087218,Pr(NiAs)2,-5.957249632,-0.8253664470000001,0.0,-0.048553706,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Ni-Pr,10.0,A2B2C_tP10_129_ac_bc_c:As-Ni-Pr +mp-568993,Pr(NiAs)2,-5.930025056,-0.798141871,0.027224576,-0.02132913,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Ni-Pr,5.0,A2B2C_tI10_139_e_d_a:As-Ni-Pr +mp-1196188,Pr5Zr3(Ni4As3)4,-6.3195641736,-0.8212519957000001,0.0,-0.0453888276,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Pr-Zr,36.0,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Pr-Zr +mp-1207175,Pr2(NiAs)3,-3.6603507775,1.4495963181,2.3458215194,2.3458215194,GGA,P-1,A3B3C2_aP8_2_ai_bi_i:As-Ni-Pr,8.0,A3B3C2_aP8_2_ai_bi_i:As-Ni-Pr +mp-861597,Pr2Ni12As7,-5.8360925457,-0.524793474,0.0,-0.011550532,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Pr,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Pr +mp-1206687,PrNiAs,-6.0836168167,-1.01022987,0.004093255,-0.01613034,GGA,P-6m2,ABC_hP3_187_a_c_f:As-Ni-Pr,3.0,ABC_hP3_187_a_c_f:As-Ni-Pr +mp-1209365,PrNiAs,-6.0877100717,-1.014323125,0.0,-0.020223595,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Ni-Pr,12.0,ABC_hP12_194_f_f_ab:As-Ni-Pr +mp-570520,ZrHg3(SeCl3)2,-3.6997957933,-1.4046470733,0.0,-0.0279188121,GGA,P2_1/c,A6B3C2D_mP24_14_3e_ae_e_d:Cl-Hg-Se-Zr,24.0,"Invalid WP multiplicities - A6B3C2D_mP24_14_10e_2a2e_e_d:Cl-Hg-Se-Zr, expected ZrHg6(SeCl10)2 to be ZrHg3(SeCl3)2" +mp-1197177,CsRb14Tl27,-1.9871318898,-0.120126072,0.0,-0.0096136268,GGA,P-62m,AB14C27_hP42_189_a_d2i_egh2ij:Cs-Rb-Tl,42.0,AB14C27_hP42_189_a_d2i_egh2ij:Cs-Rb-Tl +mp-1112004,Cs2RbTlCl6,-3.470880362,-1.8483601697,0.0175840595,0.0175840595,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Tl +mp-1423122,Rb2SnTe5,-3.5065591394,-0.795662956,0.0041202619,-0.0038380845,GGA,I4cm,A2BC5_tI32_108_2a_b_b2c:Rb-Sn-Te,16.0,A2BC5_tI32_108_2a_b_b2c:Rb-Sn-Te +mp-28520,Rb2SnTe5,-3.5106794012,-0.7997832179000001,0.0,-0.0079583464,GGA,I4/mcm,A2BC5_tI32_140_ac_b_dl:Rb-Sn-Te,16.0,A2BC5_tI32_140_ac_b_dl:Rb-Sn-Te +mp-29827,Rb4Hg5Te13,-2.7500353083,-0.6453300934,0.0169472713,0.0169472713,GGA,Pnma,A5B4C13_oP88_62_c2d_2cd_7c3d:Hg-Rb-Te,88.0,A5B4C13_oP88_62_c2d_2cd_7c3d:Hg-Rb-Te +mp-29107,Rb2Hg3Te4,-2.4012117222,-0.6850636319,0.0,-0.0504960576,GGA,Pbcn,A3B2C4_oP36_60_cd_d_2d:Hg-Rb-Te,36.0,"Invalid WP multiplicities - A3B2C4_oP36_60_cd_d_3d:Hg-Rb-Te, expected Rb2(HgTe2)3 to be Rb2Hg3Te4" +mp-1080691,Rb2SnHgTe4,-3.1322279112,-0.7762849190000001,0.0,-0.020434765,GGA,I-42m,AB2CD4_tI16_121_a_c_b_i:Hg-Rb-Sn-Te,8.0,AB2CD4_tI16_121_a_c_b_i:Hg-Rb-Sn-Te +mp-1219835,Rb4Sn21Hg2,-3.4486840811,-0.162369045,0.0,-0.0346961954,GGA,Ama2,A2B4C21_oC108_40_ab_a3b_5b8c:Hg-Rb-Sn,54.0,"Invalid WP multiplicities - A2B4C21_oC108_40_2ab_2a3b_9b30c:Hg-Rb-Sn, expected Rb5(Sn23Hg)3 to be Rb4Sn21Hg2" +mp-1096184,Rb2HgTe,-1.5043525725,-0.1523389717,0.7009912613,0.7009912613,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Rb-Te,4.0,AB2C_oI8_71_a_e_b:Hg-Rb-Te +mp-1209556,Rb4Sn20Hg3,-3.2992876087,-0.150227813,0.0118316274,0.0118316274,GGA,Pm-3n,A3B4C20_cP54_223_c_ad_ik:Hg-Rb-Sn,54.0,A3B4C20_cP54_223_c_ad_ik:Hg-Rb-Sn +mp-573710,CsTbZnSe3,-4.5296505908,-1.650109505,0.0,-0.133661894,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Tb-Zn,12.0,"Invalid WP multiplicities - AB3CD_oC24_63_c_2c3f_a_c:Cs-Se-Tb-Zn, expected CsTbZnSe8 to be CsTbZnSe3" +mp-979057,Sm2ZnAg,-3.6801892875,-0.2978213167,0.005592955,0.005592955,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Sm-Zn,4.0,AB2C_cF16_225_a_c_b:Ag-Sm-Zn +mp-978560,SmZnAg2,-3.1346496225,-0.2237891846,0.068371791,0.068371791,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Sm-Zn,4.0,A2BC_cF16_225_c_a_b:Ag-Sm-Zn +mp-867175,SmAgAs2,-4.9874618625,-0.7701171254,0.0,-0.0102849404,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-As-Sm,16.0,AB2C_oP16_62_c_2c_c:Ag-As-Sm +mp-1179404,SmAgAs2,-4.9870985975,-0.7697538604,0.000363265,-0.0099216754,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-As-Sm,16.0,AB2C_oP16_62_c_2c_c:Ag-As-Sm +mp-1205313,SmAgAs2,-4.9844573813,-0.7671126442,0.0030044812,-0.0072804592,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ag-As-Sm,8.0,AB2C_tP8_129_a_bc_c:Ag-As-Sm +mp-1218973,SmZnAgAs2,-4.256705738,-0.6308812263,0.0374395524,0.0374395524,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-As-Sm-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-As-Sm-Zn +mp-867140,SmZn2Ag,-2.8167639025,-0.2991065629,0.0257519893,0.0257519893,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Sm-Zn +mp-1182227,BaGaCu3Se4,-4.1715362667,-0.7017210574,0.216265126,0.216265126,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Ga-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Ga-Se +mp-1008511,BaGaCu2,-3.50577057,-0.2193994944,0.0,-0.0259008355,GGA,R-3m,AB2C_hR12_166_a_c_b:Ba-Cu-Ga,4.0,AB2C_hR12_166_a_c_b:Ba-Cu-Ga +mp-1191857,Pr3AlNi8,-5.6801407396,-0.3193585283,0.0511577396,0.0511577396,GGA,P6_3/mmc,AB8C3_hP24_194_a_bck_df:Al-Ni-Pr,24.0,AB8C3_hP24_194_a_bck_df:Al-Ni-Pr +mp-1219899,Pr3(Al7Cu2)4,-4.115143649,-0.217387396,0.0364073759,0.0364073759,GGA,C2/m,A28B8C3_mC78_12_abi6j_fij_ci:Al-Cu-Pr,39.0,"Invalid WP multiplicities - A28B8C3_mC78_12_abi24j_2ei3j_ci:Al-Cu-Pr, expected Pr3(Al50Cu9)2 to be Pr3(Al7Cu2)4" +mp-1069950,Pr2AlNi2,-5.361114522,-0.387582382,0.0229143667,0.0229143667,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Pr,5.0,AB2C2_oI10_71_a_f_h:Al-Ni-Pr +mp-1219691,PrAlCu4,-4.36941336,-0.2155286492,0.017605024,0.017605024,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Pr,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Pr +mp-862763,Pr(Al2Cu)4,-4.24589795,-0.3118718673,0.0,-0.0156539818,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Pr,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cu-Pr, expected Pr(Al3Cu)4 to be Pr(Al2Cu)4" +mp-1219946,Pr2(AlCu)5,-4.4005615842,-0.3350845833,0.0254091383,0.0254091383,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Al-Cu-Pr,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_ei2j_hx_bc:Al-Cu-Pr, expected Pr2Al7Cu5 to be Pr2(AlCu)5" +mp-1095484,PrAl4Ni,-4.79744472,-0.5402204275,0.0,-0.0003599517,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ni-Pr,12.0,A4BC_oC24_63_acf_c_c:Al-Ni-Pr +mp-1079699,PrAlNi,-5.2577901511,-0.4889173961,0.0,-0.0093986894,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Pr,9.0,ABC_hP9_189_f_bc_g:Al-Ni-Pr +mp-11352,PrAl5Ni2,-4.9744161425,-0.5907838594,0.0,-0.02090854,GGA,Immm,A5B2C_oI16_71_am_e_c:Al-Ni-Pr,8.0,A5B2C_oI16_71_am_e_c:Al-Ni-Pr +mp-10897,PrAl2Ni3,-5.463936055,-0.5285248125,0.0083237767,0.0083237767,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Al-Ni-Pr,6.0,A2B3C_hP6_191_c_g_a:Al-Ni-Pr +mp-1069825,PrAl3Cu,-4.49448383,-0.471115847,0.0,-0.0803256601,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-Pr,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-Pr +mp-1078692,PrAlCu,-4.56992271,-0.3613599583,0.0,-0.019565165,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Pr,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Pr +mp-1206815,PrAlCu,-3.9139505144,0.2946122372,0.6559721956,0.6364070306,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Cu-Pr,9.0,ABC_hP9_189_f_g_bc:Al-Cu-Pr +mp-1219968,Pr2Al2CuNi,-4.9108062144,-0.4220884611,0.0103952739,0.0103952739,GGA,Pm,A2BCD2_mP18_6_6a_3a_a2b_6b:Al-Cu-Ni-Pr,18.0,A2BCD2_mP18_6_6a_3a_a2b_6b:Al-Cu-Ni-Pr +mp-1206143,PrAl2Ni,-5.085893695,-0.5728451713,0.0,-0.0264753144,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Pr,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Pr +mp-1219937,Pr2Al7Cu,-4.381005411,-0.393000512,0.018475872,0.018475872,GGA,P4mm,A7BC2_tP10_99_a2b2c_a_ab:Al-Cu-Pr,10.0,"Invalid WP multiplicities - A7BC2_tP10_99_a2b4c_a_ab:Al-Cu-Pr, expected Pr2Al11Cu to be Pr2Al7Cu" +mp-30181,PrAl3Ni2,-5.195986445,-0.5996686775,0.001841435,0.001841435,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Ni-Pr,6.0,A3B2C_hP6_191_g_c_a:Al-Ni-Pr +mp-1219687,PrAlNi4,-5.7263270967,-0.4518223792,0.0,-0.0400488861,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Ni-Pr,6.0,AB4C_oC12_65_a_eh_c:Al-Ni-Pr +mp-505798,Na4TiSe4,-4.3628105589,-1.3440062143,0.0,-0.0557265367,GGA,C2/c,A4B4C_mC144_15_8f_8f_2f:Na-Se-Ti,72.0,A4B4C_mC144_15_8f_8f_2f:Na-Se-Ti +mp-977244,NaTi5Se8,-6.3509692593,-1.439020888,0.0097715223,0.0097715223,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Na-Se-Ti,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_7i_c3i:Na-Se-Ti, expected Na(TiSe2)7 to be NaTi5Se8" +mp-1180119,NaTiCu3Se4,-4.8375387456,-0.8931739421,0.0,-0.0664316204,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Ti,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-Ti +mp-1186192,NaTi3,-5.5837698187,0.6684805171,0.6684805171,0.6684805171,GGA,P6_3/mmc,AB3_hP8_194_c_h:Na-Ti,8.0,AB3_hP8_194_c_h:Na-Ti +mp-1221415,Na(Ti3Se4)2,-6.538335066,-1.427483785,0.0054730919,0.0054730919,GGA,P-3,AB8C6_hP15_147_a_dg_g:Na-Se-Ti,15.0,AB8C6_hP15_147_a_dg_g:Na-Se-Ti +mp-680191,Na2Ti2Se9,-4.9625949631,-1.1241920462,0.0,-0.0386606963,GGA,P2_1,A2B9C2_mP104_4_8a_36a_8a:Na-Se-Ti,104.0,"Invalid WP multiplicities - A2B9C2_mP104_4_13a_70a_14a:Na-Se-Ti, expected Na13(TiSe5)14 to be Na2Ti2Se9" +mp-1186095,Na3Ti,-2.2491537762,0.716613198,0.716613198,0.716613198,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Ti,8.0,A3B_hP8_194_h_c:Na-Ti +mp-1186007,Na3Ti,-2.1482307275,0.8175362468,0.8175362468,0.8175362468,GGA,Pm-3m,A3B_cP4_221_c_a:Na-Ti,4.0,A3B_cP4_221_c_a:Na-Ti +mp-28566,NaTiSe4,-5.0429361658,-1.1759922957,0.0,-0.0028658353,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Na-Se-Ti,48.0,AB4C_mP48_14_2e_8e_2e:Na-Se-Ti +mp-1197099,Tb3(Si3Ru)4,-6.71122353,-0.6004590658,0.0009447338,0.0009447338,GGA,Cmce,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Tb,38.0,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Tb +mp-20645,TbSiRu,-7.2391441625,-0.7944486058,0.0,-0.0233310305,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Si-Tb,12.0,ABC_oP12_62_c_c_c:Ru-Si-Tb +mp-3678,Tb(SiRu)2,-7.694883238,-0.88812179,0.0,-0.166010998,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-Tb +mp-1217478,TbSi2RuRh,-7.433963556,-1.009221042,0.0,-0.004393962,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Rh-Ru-Si-Tb,5.0,ABC2D_tI10_119_a_b_f_c:Rh-Ru-Si-Tb +mp-16478,Tb2Si5Ru3,-7.238809835,-0.8169568380000001,0.0,-0.051614041,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ru-Si-Tb,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_2a2j_bfj_j:Ru-Si-Tb, expected Tb2Si5Ru6 to be Tb2Si5Ru3" +mp-1187274,Tb2RuRh,-7.0650153225,-0.58815467,0.0,-0.0013902824,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Ru-Tb,4.0,ABC2_cF16_225_a_b_c:Rh-Ru-Tb +mp-1219851,Pr5SiGe2,-5.4535763881,-0.6315885738,0.0268218034,0.0268218034,GGA,Amm2,A2B5C_oC32_38_abd_abdef_e:Ge-Pr-Si,16.0,A2B5C_oC32_38_abd_abdef_e:Ge-Pr-Si +mp-1077510,PrSiGe,-5.5260057767,-0.5829218967,0.0347731405,0.0347731405,GGA,Imma,ABC_oI12_74_e_e_e:Ge-Pr-Si,6.0,ABC_oI12_74_e_e_e:Ge-Pr-Si +mp-1188522,Pr5Si2Ge,-5.5409512569,-0.6186771706,0.0,-0.0223798131,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Ge-Pr-Si,16.0,AB5C2_tI32_140_a_cl_h:Ge-Pr-Si +mp-1219965,PrMn2SiGe,-7.136913992,-0.5062575472,0.0400294703,0.0400294703,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:Ge-Mn-Pr-Si,5.0,AB2CD_tI10_107_a_b_a_a:Ge-Mn-Pr-Si +mp-11977,LiSnAu,-3.4876699917,-0.4235444178,0.0,-0.0008226727,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Li-Sn,6.0,ABC_hP6_194_c_a_d:Au-Li-Sn +mp-1093727,LiMg2Au,-1.3295737325,0.7662675092,1.24194915,1.1932087371,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Li-Mg,4.0,ABC2_oI8_71_a_b_e:Au-Li-Mg +mp-1185365,LiMg2Au,-2.5715228825,-0.4756816408,0.0,-0.0487404129,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Au-Li-Mg +mp-30405,Li2SnAu,-3.3028886725,-0.5275637754,0.0,-0.0624381147,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Sn,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Sn +mp-865710,LiSnAu2,-3.5055260525,-0.3889613721,0.0,-0.0212430659,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Sn,4.0,A2BC_cF16_225_c_a_b:Au-Li-Sn +mp-31496,Li2Sn2Au,-3.466495852,-0.4443215633,0.0,-0.022270543,GGA,I4_1/amd,AB2C2_tI20_141_a_e_e:Au-Li-Sn,10.0,AB2C2_tI20_141_a_e_e:Au-Li-Sn +mp-5549,MgSnAu,-3.4053348,-0.444090165,0.0,-0.039366865,GGA,F-43m,ABC_cF12_216_c_a_b:Au-Mg-Sn,3.0,ABC_cF12_216_c_a_b:Au-Mg-Sn +mp-31301,LiSn4Au3,-3.7534459219,-0.282338886,0.0,-0.0264137345,GGA,P6_3mc,A3BC4_hP16_186_a2b_b_2a2b:Au-Li-Sn,16.0,A3BC4_hP16_186_a2b_b_2a2b:Au-Li-Sn +mp-1096416,Li2MgAu,-1.44833581,0.7246661358,1.1662586725,1.1662586725,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Li-Mg,4.0,AB2C_oI8_71_a_e_b:Au-Li-Mg +mp-1222650,Li2MgAu,-2.6116321575,-0.4386302117,0.002962325,0.002962325,GGA,F-43m,AB2C_cF16_216_a_bc_d:Au-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Au-Li-Mg +mp-977418,LiMgAu2,-3.100993575,-0.5867518458000001,0.0,-0.0120958375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Li-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Li-Mg +mp-7554,LiMgSnAu,-3.1064421125,-0.4082779196,0.0582987335,0.0582987335,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Au-Li-Mg-Sn,4.0,ABCD_cF16_216_a_b_c_d:Au-Li-Mg-Sn +mp-1112920,Cs2SmAuCl6,-4.154356171,-2.0669068871,0.0907856077,0.0907856077,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Sm +mp-1113973,Rb2LiSmCl6,-4.415971012,-2.4479913013,0.0199484965,0.0199484965,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sm +mp-1110711,Rb2LiMoBr6,-3.996685564,-1.5933044538,0.0547420985,0.0547420985,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Li-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Li-Mo-Rb +mp-1205400,Ba2NdInTe5,-4.5439924728,-1.5357357495,0.0057395262,0.0057395262,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Nd-Te,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-In-Nd-Te +mp-1110701,Rb2NaPrCl6,-4.346187632,-2.4306157167,0.0361381795,0.0361381795,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Na-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Na-Pr-Rb +mp-1112988,Cs2NaGaCl6,-3.707123152,-1.98385855,0.0534663097,0.0534663097,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-Na +mp-1112493,Cs2ScTlBr6,-3.971197115,-1.9907884174,0.015156663,0.015156663,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Sc-Tl +mp-1224051,In5SnSb3Te,-3.544422934,-0.2145929222,0.0154277883,0.0154277883,GGA,P1,A5B3CD_aP10_1_5a_3a_a_a:In-Sb-Sn-Te,10.0,A5B3CD_aP10_1_5a_3a_a_a:In-Sb-Sn-Te +mp-1223695,InSnTe2,-3.769917405,-0.5079505621,0.0,-0.0094466125,GGA,R-3m,ABC2_hR12_166_a_b_c:In-Sn-Te,4.0,ABC2_hR12_166_a_b_c:In-Sn-Te +mp-1223682,InSn2Te3,-3.859998135,-0.4932072817,0.0111461983,0.0111461983,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:In-Sn-Te,6.0,AB2C3_hP6_164_a_d_bd:In-Sn-Te +mp-1113385,Rb2HgSbCl6,-3.309906431,-1.56140946,0.038309227,0.038309227,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Sb +mp-1195716,Cs2CdSn3Se8,-3.9821343236,-0.9314413314,0.0,-0.0216397437,GGA,P2_12_12_1,AB2C8D3_oP56_19_a_2a_8a_3a:Cd-Cs-Se-Sn,56.0,AB2C8D3_oP56_19_a_2a_8a_3a:Cd-Cs-Se-Sn +mp-542948,CsYbCoSe3,-4.5660862475,-1.2275757675,0.1008950713,0.1008950713,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Co-Cs-Se-Yb,,ABC3D_oC24_63_c_c_cf_a:Co-Cs-Se-Yb +mp-2646913,Cs4Mn(SbCl6)2,-4.1016937429,-1.8288481018,0.0,-0.0010839975,GGA,R-3m,A12B4CD2_hR57_166_2h_2c_a_c:Cl-Cs-Mn-Sb,38.0,A12B4CD2_hR57_166_2h_2c_a_c:Cl-Cs-Mn-Sb +mp-510378,CsMnSb,-4.894244015,-0.1654377136,0.1910077753,0.1910077753,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cs-Mn-Sb,6.0,ABC_tP6_129_c_a_c:Cs-Mn-Sb +mp-1202354,Yb5Zr3(Ni4As3)4,-5.8362060292,-0.7880740561,0.0,-0.0469535952,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Yb-Zr,,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Yb-Zr +mp-1207525,YbNiAs,-4.8919804283,-0.8990259733,0.0,-0.0706142472,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Ni-Yb,,ABC_hP12_194_f_f_ab:As-Ni-Yb +mp-865923,Yb2Ni12As7,-5.5188910095,-0.5162869355,0.0,-0.027305405,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Yb,,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Yb +mp-1207939,Yb10Ni28As19,-5.3406823486,-0.6781707778,0.0,-0.0329612191,GGA,P-6,A19B28C10_hP57_174_a3j3k_d5j4k_ej2k:As-Ni-Yb,,A19B28C10_hP57_174_a3j3k_d5j4k_ej2k:As-Ni-Yb +mp-1104102,Yb(Ni2As)2,-5.4318270836,-0.5777711107,0.0,-0.0116584828,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Yb,,A2B4C_tP14_136_f_i_a:As-Ni-Yb +mp-1205658,Yb2NiAs2,-4.513089462,-0.8775714520000001,0.0726791858,0.0726791858,GGA,P6_3mc,A2BC2_hP10_186_ab_a_2b:As-Ni-Yb,,A2BC2_hP10_186_ab_a_2b:As-Ni-Yb +mp-1113577,Cs2AlAgBr6,-3.375078051,-1.6063673953,0.0780464216,0.0780464216,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Cs +mp-541276,CaYbInSe4,-4.3673708543,-1.4701511685,0.1248160054,0.1248160054,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_a:Ca-In-Se-Yb,,ABC4D_oP28_62_c_c_2cd_a:Ca-In-Se-Yb +mp-1227063,Ca8(YbSe4)3,-4.8205528965,-2.0981806525,0.0785020899,0.0785020899,GGA,P-4m2,A8B12C3_tP23_115_ef2g_abef3g_cg:Ca-Se-Yb,,"Invalid WP multiplicities - A8B12C3_tP23_115_2e2f3g_ab2e2f5g_c2g:Ca-Se-Yb, expected Ca14(YbSe4)5 to be Ca8(YbSe4)3" +mp-1077996,Cr(RhSe2)2,-6.1388768657,-0.6581184199,0.0432057465,0.0432057465,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Rh-Se,7.0,AB2C4_mC14_12_a_i_2i:Cr-Rh-Se +mp-1226276,CrCuRhSe4,-5.7103733564,-0.6960579392,0.0059321557,0.0059321557,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Cu-Rh-Se,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h2i:Cr-Cu-Rh-Se, expected CrCuRhSe8 to be CrCuRhSe4" +mp-1226324,Cr3Cu2NiSe8,-5.7447918879,-0.6801501556,0.0119879245,0.0119879245,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Cu-Ni-Se,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c2h:Cr-Cu-Ni-Se, expected Cr3Cu2NiSe16 to be Cr3Cu2NiSe8" +mp-1226405,Cr4CuNiSe8,-6.2051979157,-0.7438532692000001,0.0,-0.0028405105,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ni-Se,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ni-Se +mp-1025151,Cr2NiSe4,-6.2794058914,-0.6979948156,0.0312136169,0.0312136169,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Ni-Se,7.0,A2BC4_mC14_12_i_a_2i:Cr-Ni-Se +mp-1096942,CsBiSe2,-3.8574988025,-0.9255701882,0.0761095932,0.0761095932,GGA,P3m1,ABC2_hP4_156_b_a_ac:Bi-Cs-Se,4.0,ABC2_hP4_156_b_a_ac:Bi-Cs-Se +mp-581738,Cs3BiSe3,-3.5922900143,-1.1616570601,0.0,-0.0908314584,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-Cs-Se,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_12a_b:Bi-Cs-Se, expected Cs12BiSe3 to be Cs3BiSe3" +mp-1226121,CsBi4Se7,-4.1774282396,-0.7833666366,0.0248770246,0.0248770246,GGA,C2/m,A4BC7_mC48_12_4i_i_7i:Bi-Cs-Se,24.0,A4BC7_mC48_12_4i_i_7i:Bi-Cs-Se +mp-567928,CsBi3Se5,-4.1842655572,-0.8624403183,0.0,-0.0094758028,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:Bi-Cs-Se,36.0,"Invalid WP multiplicities - A3BC5_oP36_62_10c_c_15c:Bi-Cs-Se, expected Cs(Bi2Se3)5 to be CsBi3Se5" +mp-680317,Cs2Bi8Se13,-4.2040026361,-0.8143692885,0.0104187413,0.0104187413,GGA,P2_1/m,A8B2C13_mP46_11_8e_2e_13e:Bi-Cs-Se,46.0,"Invalid WP multiplicities - A8B2C13_mP46_11_15e_2e_23e:Bi-Cs-Se, expected Cs2Bi15Se23 to be Cs2Bi8Se13" +mp-1204289,Cs4BiAs3Se7,-3.9843566406,-0.9263010288,0.0,-0.0206000729,GGA,P2_1/c,A3BC4D7_mP120_14_6e_2e_8e_14e:As-Bi-Cs-Se,120.0,A3BC4D7_mP120_14_6e_2e_8e_14e:As-Bi-Cs-Se +mp-1229208,Cs2Bi4Se7,-4.1173952165,-0.9155381698,0.0,-0.0091209541,GGA,P2_1/m,A4B2C7_mP26_11_4e_2e_7e:Bi-Cs-Se,26.0,A4B2C7_mP26_11_4e_2e_7e:Bi-Cs-Se +mp-1227437,Cs3Bi11Se18,-4.1789741593,-0.8084118423000001,0.0269658937,0.0269658937,GGA,Pnma,A11B3C18_oP128_62_3c4d_cd_6c6d:Bi-Cs-Se,128.0,"Invalid WP multiplicities - A11B3C18_oP128_62_9c13d_4c3d_21c21d:Bi-Cs-Se, expected Cs10(Bi5Se9)7 to be Cs3Bi11Se18" +mp-650619,Cs3Bi7Se12,-4.1411096236,-0.8901746801,0.0036416414,0.0036416414,GGA,Cm,A7B3C12_mC44_8_7a_3a_12a:Bi-Cs-Se,22.0,A7B3C12_mC44_8_7a_3a_12a:Bi-Cs-Se +mp-1200468,RbNa8(GaAs2)3,-3.1506867,-0.4507014268,0.0,-0.0347625866,GGA,Pnma,A6B3C8D_oP72_62_6c_3c_8c_c:As-Ga-Na-Rb,72.0,A6B3C8D_oP72_62_6c_3c_8c_c:As-Ga-Na-Rb +mp-15416,Rb2GaAs2,-3.3375929103,-0.4761127148,0.0,-0.1109581015,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:As-Ga-Rb,40.0,"Invalid WP multiplicities - A2BC2_mP40_14_7e_3e_4e:As-Ga-Rb, expected Rb4Ga3As7 to be Rb2GaAs2" +mp-505443,Na3(FeSe2)2,-4.64663461,-0.7698274754000001,0.1207217892,0.1207217892,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Na-Se,36.0,A2B3C4_oP36_62_d_cd_2cd:Fe-Na-Se +mp-15071,Na6FeSe4,-3.7010206023,-0.938400704,0.1515139177,0.1515139177,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Fe-Na-Se,22.0,AB6C4_hP22_186_b_2c_bc:Fe-Na-Se +mp-5125,Na3FeSe3,-4.2670091521,-0.9919617917,0.0079104739,0.0079104739,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Na-Se,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_4e_4e:Fe-Na-Se, expected Na4FeSe4 to be Na3FeSe3" +mp-1221006,NaFeCuSe2,-4.78130237,-0.6045871442,0.0636858065,0.0636858065,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Na-Se,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Na-Se +mp-1114008,Rb2AlTlCl6,-3.879459033,-1.9634083248,0.061444961,0.061444961,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Rb-Tl +mp-683903,Cs3Nb2AsSe11,-4.9422824629,-1.059755295,0.0,-0.0142070826,GGA,Cc,AB3C2D11_mC68_9_a_3a_2a_11a:As-Cs-Nb-Se,34.0,"Invalid WP multiplicities - AB3C2D11_mC68_9_a_3a_4a_19a:As-Cs-Nb-Se, expected Cs3Nb4AsSe19 to be Cs3Nb2AsSe11" +mp-1028333,CsMg14Sn,-1.57560307,0.1312028629,0.1928700592,0.1928700592,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Sn, expected CsMg18Sn to be CsMg14Sn" +mp-1028267,CsMg14Sn,-1.5546222681,0.1521836648,0.2138508611,0.2138508611,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Sn, expected CsMg26Sn to be CsMg14Sn" +mp-1195633,Cs2MgSn3Se8,-4.1163842461,-1.0173062332,0.0,-0.0169647927,GGA,P2_12_12_1,A2BC8D3_oP56_19_2a_a_8a_3a:Cs-Mg-Se-Sn,56.0,A2BC8D3_oP56_19_2a_a_8a_3a:Cs-Mg-Se-Sn +mp-1194265,Mg2SnSe4,-4.1483406189,-1.1206580667,0.0106070939,0.0106070939,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mg-Se-Sn,28.0,A2B4C_oP28_62_ac_2cd_c:Mg-Se-Sn +mp-1021404,CsMg6Sn,-1.5970935738,0.2162382421,0.3130429446,0.3130429446,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Sn, expected CsMg12Sn to be CsMg6Sn" +mp-1021483,CsMg6Sn,-1.6258948388,0.1874369771,0.2842416796,0.2842416796,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cs-Mg-Sn, expected CsMg12Sn to be CsMg6Sn" +mp-1219337,Sm4CuSn8,-4.8127595677,-0.5781344869,0.0,-0.0088213688,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cu-Sm-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cu-Sm-Sn +mp-12791,SmCuSn,-4.8748023017,-0.5990140817,0.0,-0.0619090997,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Sm-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Sm-Sn +mp-1077108,SmCuSn,-4.8502432967,-0.5744550767000001,0.024559005,-0.0373500947,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Sm-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Sm-Sn +mp-1205497,Sm3(CuSn)4,-4.7617021545,-0.5261682905,0.0,-0.0223873391,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Sm-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Sm-Sn +mp-570594,Sm3CuSnSe7,-5.4631861825,-1.5685264097,0.0084607349,0.0084607349,GGA,P6_3,AB7C3D_hP24_173_a_b2c_c_b:Cu-Se-Sm-Sn,24.0,"Invalid WP multiplicities - AB7C3D_hP24_173_a_2b8c_c_b:Cu-Se-Sm-Sn, expected Sm3CuSnSe26 to be Sm3CuSnSe7" +mp-570702,Sm2Cu4Sn5,-4.4153313109,-0.2442532905,0.1121851691,0.1121851691,GGA,I4mm,A4B2C5_tI22_107_2ab_2a_a2b:Cu-Sm-Sn,11.0,"Invalid WP multiplicities - A4B2C5_tI22_107_2a2b_2a_a2b:Cu-Sm-Sn, expected Sm2Cu6Sn5 to be Sm2Cu4Sn5" +mp-1208682,SmCu5Sn,-4.4282824482,-0.2533979711,0.0033223496,0.0033223496,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sm-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Sm-Sn +mp-1206240,Sm2(CuSn)3,-3.6255209,0.5949175806,1.0791811225,1.0791811225,GGA,Pmmm,A3B2C3_oP8_47_ai_i_bi:Cu-Sm-Sn,8.0,A3B2C3_oP8_47_ai_i_bi:Cu-Sm-Sn +mp-1079204,Sm(CuSn)2,-4.576729832,-0.389501195,0.0025719,0.0025719,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-Sm-Sn,10.0,A2BC2_tP10_129_ac_c_bc:Cu-Sm-Sn +mp-1215301,ZrTi(CrFe)2,-8.9264193192,-0.1448643181,0.0736911867,0.0736911867,GGA,Cm,A2B2CD_mC24_8_2ab_2ab_2a_2a:Cr-Fe-Ti-Zr,12.0,A2B2CD_mC24_8_2ab_2ab_2a_2a:Cr-Fe-Ti-Zr +mp-1215395,Zr3TiFe8,-8.720852775800001,-0.2792891436,0.0020697333,0.0020697333,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Fe-Ti-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Fe-Ti-Zr, expected Zr3TiFe20 to be Zr3TiFe8" +mp-1215712,Zr2CrFe3,-8.8847044692,-0.1916190758,0.0270014233,0.0270014233,GGA,Amm2,AB3C2_oC24_38_d_abce_2c:Cr-Fe-Zr,12.0,"Invalid WP multiplicities - AB3C2_oC24_38_d_abce_3c:Cr-Fe-Zr, expected Zr3CrFe3 to be Zr2CrFe3" +mp-1215662,Zr2CrFe3,-8.8742667358,-0.1811813425,0.0374391567,0.0374391567,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Cr-Fe-Zr,12.0,AB3C2_hP12_194_a_h_f:Cr-Fe-Zr +mp-1215295,ZrCrFe,-9.0161081133,-0.1258516767,0.0307058983,0.0307058983,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Cr-Fe-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Cr-Fe-Zr, expected Zr3(CrFe)2 to be ZrCrFe" +mp-1215323,ZrCrFe,-9.0157937417,-0.125537305,0.03102027,0.03102027,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Fe-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Fe-Zr, expected Zr3(CrFe)2 to be ZrCrFe" +mp-631429,ZrCrFe,-8.15718834,0.7330680967000001,0.8896256717000001,0.8896256717000001,GGA,F-43m,ABC_cF12_216_c_a_b:Cr-Fe-Zr,3.0,ABC_cF12_216_c_a_b:Cr-Fe-Zr +mp-1215757,Zr2Cr3Fe,-9.1538456992,-0.0664182192,0.0280764317,0.0280764317,GGA,Amm2,A3BC2_oC24_38_abcd_e_2c:Cr-Fe-Zr,12.0,"Invalid WP multiplicities - A3BC2_oC24_38_abcd_e_3c:Cr-Fe-Zr, expected Zr3Cr3Fe to be Zr2Cr3Fe" +mp-1215291,ZrTiFe4,-8.6519340133,-0.2647210989,0.0173132317,0.0173132317,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Ti-Zr,12.0,A4BC_hP12_164_abi_d_d:Fe-Ti-Zr +mp-1215221,ZrTiCr4,-9.215205495,-0.0393084072,0.0294672875,0.0294672875,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Cr-Ti-Zr,12.0,A4BC_hP12_164_abi_d_d:Cr-Ti-Zr +mp-1215179,ZrTiCr4,-9.2315195567,-0.0556224689,0.0131532258,0.0131532258,GGA,F-43m,A4BC_cF24_216_e_a_c:Cr-Ti-Zr,6.0,A4BC_cF24_216_e_a_c:Cr-Ti-Zr +mp-3159,Al2CdSe4,-4.2804609357,-1.0807913171,0.0,-0.033951565,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Cd-Se,7.0,A2BC4_tI14_82_ac_b_g:Al-Cd-Se +mp-3807,Al2CdSe4,-4.2344147964,-1.0347451778,0.0460461393,0.0120945743,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Cd-Se,14.0,A2BC4_cF56_227_c_b_e:Al-Cd-Se +mp-1182878,AlCdCu3Se4,-3.9402772878,-0.501418231,0.1653209883,0.1653209883,GGA,P-43m,ABC3D4_cP9_215_b_a_c_e:Al-Cd-Cu-Se,9.0,ABC3D4_cP9_215_b_a_c_e:Al-Cd-Cu-Se +mp-1187667,YbEuAu2,-5.4520373675,-0.8659438475000001,0.0225066325,0.0225066325,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Eu-Yb,,A2BC_cF16_225_c_a_b:Au-Eu-Yb +mp-16251,Yb(SiAu)2,-4.312100124,-0.524498456,0.0,-0.024272466,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Si-Yb,,A2B2C_tI10_139_d_e_a:Au-Si-Yb +mp-10443,YbSiAu,-4.1625669233,-0.74963082,0.0,-0.1123172867,GGA,Imm2,ABC_oI12_44_c_c_ab:Au-Si-Yb,,ABC_oI12_44_c_c_ab:Au-Si-Yb +mp-1215464,YbSiAu,-4.1043319667,-0.6913958633,0.0582349567,-0.05408233,GGA,P-6m2,ABC_hP3_187_a_c_f:Au-Si-Yb,,ABC_hP3_187_a_c_f:Au-Si-Yb +mp-1215852,YbEu(SiAu)4,-5.201867411,-0.542526391,0.0,-0.007425968,GGA,P4/mmm,A4BC4D_tP10_123_i_a_gh_d:Au-Eu-Si-Yb,,"Invalid WP multiplicities - A4BC4D_tP10_123_i_a_g2h_d:Au-Eu-Si-Yb, expected YbEu(Si3Au2)2 to be YbEu(SiAu)4" +mp-1225121,EuSi2PdAu,-6.569890422,-0.6576100880000001,0.013079653,0.013079653,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Au-Eu-Pd-Si,5.0,ABCD2_tI10_119_a_c_b_f:Au-Eu-Pd-Si +mp-1184039,Eu2PdAu,-7.979475765,-0.7375339125,0.0233041313,0.0233041313,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Eu-Pd,4.0,AB2C_cF16_225_a_c_b:Au-Eu-Pd +mp-1225277,Eu2Si4Pd3Au,-6.833227515,-0.7303472,0.0028362165,0.0028362165,GGA,P-4m2,AB2C3D4_tP10_115_a_g_bcd_2g:Au-Eu-Pd-Si,10.0,"Invalid WP multiplicities - AB2C3D4_tP10_115_a_g_bcd_4g:Au-Eu-Pd-Si, expected Eu2Si8Pd3Au to be Eu2Si4Pd3Au" +mp-1199837,Eu3(SiAs2)2,-7.5440169569,-0.8486708369,0.0,-0.0529555186,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:As-Eu-Si,36.0,A4B3C2_mP36_14_4e_3e_2e:As-Eu-Si +mp-1221214,Na4Eu2SiAs4,-5.21410078,-0.6808374687000001,0.0,-0.0031063482,GGA,Cc,A4B2C4D_mC44_9_4a_2a_4a_a:As-Eu-Na-Si,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_9_7a_4a_7a_a:As-Eu-Na-Si, expected Na7Eu4SiAs7 to be Na4Eu2SiAs4" +mp-1212937,Cu2SiHgSe4,-4.0023214781,-0.5134392724,0.0,-0.0151113656,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Hg-Se-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Hg-Se-Si +mp-5898,La(SiNi)2,-6.224314528,-0.754931223,0.0,-0.0343301369,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:La-Ni-Si +mp-568370,La3(SiNi)4,-6.1379020718,-0.7170075123,0.0087802891,0.0087802891,GGA,Immm,A3B4C4_oI22_71_af_ef_ef:La-Ni-Si,11.0,"Invalid WP multiplicities - A3B4C4_oI22_71_a2f_ef_e2f:La-Ni-Si, expected La5(Si3Ni2)2 to be La3(SiNi)4" +mp-1222926,LaCuSi2Ni,-5.780382658,-0.6471853550000001,0.012202478,0.012202478,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Cu-La-Ni-Si,5.0,ABCD2_tI10_119_a_c_b_f:Cu-La-Ni-Si +mp-1223126,La3Si7Ni3,-6.13475818,-0.7404768288,0.0145460642,0.0145460642,GGA,Amm2,A3B3C7_oC26_38_2ab_a2b_3a4b:La-Ni-Si,13.0,A3B3C7_oC26_38_2ab_a2b_3a4b:La-Ni-Si +mp-1223258,La2Si3Ni,-6.024626645,-0.703275815,0.0804574633,0.0804574633,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:La-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:La-Ni-Si +mp-11726,LaSi4Ni9,-6.186455035,-0.5679900818,0.0,-0.0166152508,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:La-Ni-Si,28.0,"Invalid WP multiplicities - AB9C4_tI56_140_a_d4k3l_l:La-Ni-Si, expected LaSi4Ni29 to be LaSi4Ni9" +mp-1071627,LaSiNi4,-6.1220445017,-0.5417325258,0.0,-0.0520856003,GGA,Cmmm,AB4C_oC12_65_a_fg_c:La-Ni-Si,6.0,AB4C_oC12_65_a_fg_c:La-Ni-Si +mp-7030,LaSiNi,-6.0819888883,-0.7015016167,0.0,-0.0343526698,GGA,I4_1md,ABC_tI12_109_a_a_a:La-Ni-Si,6.0,ABC_tI12_109_a_a_a:La-Ni-Si +mp-1223188,La3Si3Ni,-5.9650002929,-0.6986985664,0.0106974979,0.0106974979,GGA,Imm2,A3BC3_oI14_44_a2b_a_a2b:La-Ni-Si,7.0,A3BC3_oI14_44_a2b_a_a2b:La-Ni-Si +mp-1190732,LaSi2Ni9,-6.1170759067,-0.4664197996,0.0,-0.040123155,GGA,I4_1/amd,AB9C2_tI48_141_b_ai_c:La-Ni-Si,24.0,AB9C2_tI48_141_b_ai_c:La-Ni-Si +mp-1223674,La6Si3Ni2,-5.6937916091,-0.4708579655,0.0658485582,0.0658485582,GGA,Pm,A6B2C3_mP22_6_6a6b_2ac_2a4b:La-Ni-Si,22.0,A6B2C3_mP22_6_6a6b_2ac_2a4b:La-Ni-Si +mp-1079037,LaSi2Ni,-6.2096364287,-0.8179414675000001,0.0,-0.076367033,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Ni-Si,8.0,ABC2_oC16_63_c_c_2c:La-Ni-Si +mp-1195945,BaCe(SnSe3)2,-5.0518405427,-1.3671728757,0.0133814665,0.0133814665,GGA,Pmc2_1,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Ce-Se-Sn,40.0,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Ce-Se-Sn +mp-568606,CsErTa6Cl18,-6.1385565971,-1.9122701801,0.0,-0.0033298722,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Cl-Cs-Er-Ta,52.0,"Invalid WP multiplicities - A18BCD6_hP52_163_28i_c_d_i:Cl-Cs-Er-Ta, expected CsErTa6Cl168 to be CsErTa6Cl18" +mp-1110820,Rb2CeAgBr6,-3.898397574,-1.8939092457,0.039588012,0.039588012,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-Rb +mp-1111732,Rb2EuAgCl6,-4.646344192,-2.0321596012,0.0,-0.016604225,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Eu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Eu-Rb +mp-1112681,Cs2LiLaCl6,-4.479298786,-2.5066033184,0.0169525305,0.0169525305,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Li +mp-1110709,Rb2LiPrBr6,-3.949072973,-2.1521662983,0.039316769,0.039316769,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Li-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Li-Pr-Rb +mp-1220509,Nd2CuTe4,-5.0302662064,-1.2861626195,0.0335200529,0.0335200529,GGA,P2_1,AB2C4_mP14_4_a_2a_4a:Cu-Nd-Te,14.0,"Invalid WP multiplicities - AB2C4_mP14_4_a_3a_5a:Cu-Nd-Te, expected Nd3CuTe5 to be Nd2CuTe4" +mp-1214402,BaNdCuTe3,-4.8290262533,-1.4596517996,0.0,-0.0219786879,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Nd-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Nd-Te +mp-570566,Rb5Ta(TlAs2)2,-3.7761427852,-0.4326254597,0.0,-0.0908680875,GGA,Pnma,A4B5CD2_oP48_62_2cd_c2d_c_2c:As-Rb-Ta-Tl,48.0,"Invalid WP multiplicities - A4B5CD2_oP48_62_7c6d_4c11d_c_5c:As-Rb-Ta-Tl, expected Rb26TaTl5As19 to be Rb5Ta(TlAs2)2" +mp-570051,Tl2SnHgTe4,-3.1448771063,-0.4434068454,0.0127493023,0.0127493023,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Hg-Sn-Te-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Hg-Sn-Te-Tl +mp-1220810,Nb10(SnGe)3,-8.2460588363,-0.3141307406,0.0040763972,0.0040763972,GGA,Fmm2,A3B10C3_oF64_42_ab_4cd_ac:Ge-Nb-Sn,16.0,"Invalid WP multiplicities - A3B10C3_oF64_42_ab_8cd_ac:Ge-Nb-Sn, expected Nb6SnGe to be Nb10(SnGe)3" +mp-1220377,Nb6SnGe,-8.8556030225,-0.2005492787,0.041374484,0.041374484,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ge-Nb-Sn,8.0,AB6C_cP8_200_a_f_b:Ge-Nb-Sn +mp-1220575,Nb3SnGeMo3,-9.12572793,-0.191544785,0.0131468892,0.0131468892,GGA,R3,AB3C3D_hR24_146_a_b_b_a:Ge-Mo-Nb-Sn,8.0,AB3C3D_hR24_146_a_b_b_a:Ge-Mo-Nb-Sn +mp-617442,RbTa(CuTe2)2,-4.8649703969,-0.6637268199,0.0,-0.0365217128,GGA,Pna2_1,A2BCD4_oP32_33_2a_a_a_4a:Cu-Rb-Ta-Te,32.0,"Invalid WP multiplicities - A2BCD4_oP32_33_5a_a_a_15a:Cu-Rb-Ta-Te, expected RbTa(CuTe3)5 to be RbTa(CuTe2)2" +mp-1205413,RbTa(CuTe2)2,-4.8649665038,-0.6637229268,3.8931e-06,-0.0365178197,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Cu-Rb-Ta-Te,16.0,A2BCD4_oC32_40_ab_b_b_2bc:Cu-Rb-Ta-Te +mp-1110680,Rb2LiSbCl6,-3.787190121,-1.8781688998,0.0,-0.0211257515,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sb +mp-1113403,Rb2DyCuCl6,-4.31284044,-2.1370122785,0.0423848234,0.0423848234,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-Rb +mp-672191,CeInAg2,-3.862629935,-0.2751587121,0.0,-0.0481226886,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ce-In,4.0,A2BC_cF16_225_c_a_b:Ag-Ce-In +mp-1194241,CeCu5Ag,-4.3042845293,-0.1240447424,0.0,-0.017797502,GGA,Pnma,ABC5_oP28_62_c_c_3cd:Ag-Ce-Cu,28.0,ABC5_oP28_62_c_c_3cd:Ag-Ce-Cu +mp-1226682,CeInCuAg,-4.13591671,-0.2317828204,0.0477776859,0.0477776859,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Ag-Ce-Cu-In,4.0,ABCD_cF16_216_a_c_b_d:Ag-Ce-Cu-In +mp-1227262,Ce2InAg,-4.545127845,-0.1825233342,0.056819255,0.056819255,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Ce-In,4.0,AB2C_tP4_123_a_h_b:Ag-Ce-In +mp-1224973,FeCuNi,-6.0456528533,0.0708019999999999,0.11561757,0.11561757,GGA,P3m1,ABC_hP3_156_a_b_c:Cu-Fe-Ni,3.0,ABC_hP3_156_a_b_c:Cu-Fe-Ni +mp-1222950,LaFeCuNi3,-5.990554445,-0.1829469408,0.0558667662,0.0558667662,GGA,P-6m2,ABCD3_hP6_187_a_c_e_k:Cu-Fe-La-Ni,6.0,ABCD3_hP6_187_a_c_e_k:Cu-Fe-La-Ni +mp-1227098,Ce2Co3Ge4Ru,-6.690519169,-0.5947546035,0.003387992,0.003387992,GGA,P-4m2,A2B3C4D_tP10_115_g_abc_2g_d:Ce-Co-Ge-Ru,10.0,"Invalid WP multiplicities - A2B3C4D_tP10_115_g_abc_4g_d:Ce-Co-Ge-Ru, expected Ce2Co3Ge8Ru to be Ce2Co3Ge4Ru" +mp-1204084,Ce3Ge13Ru4,-6.2090116413,-0.4591996542,0.0369381024,0.0369381024,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Ru,40.0,A3B13C4_cP40_223_c_ak_e:Ce-Ge-Ru +mp-1227056,Ce2CoGe4Ru3,-7.150562645,-0.6215811305,0.010792594,0.010792594,GGA,P-4m2,A2BC4D3_tP10_115_g_a_2g_bcd:Ce-Co-Ge-Ru,10.0,"Invalid WP multiplicities - A2BC4D3_tP10_115_g_a_4g_bcd:Ce-Co-Ge-Ru, expected Ce2CoGe8Ru3 to be Ce2CoGe4Ru3" +mp-22343,Ce(GeRu)2,-7.395079278,-0.649489289,0.0,-0.1909947303,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Ru,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Ru +mp-21651,Ce5Ge2Ru,-6.6266658441,-0.6034278409,0.0,-0.082756191,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Ce-Ge-Ru,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_3c2d_d_c:Ce-Ge-Ru, expected Ce7Ge2Ru to be Ce5Ge2Ru" +mp-1226751,CeCoGe2Ru,-6.9171148,-0.60474176,0.0105163999999999,0.0105163999999999,GGA,I-4m2,ABC2D_tI10_119_c_a_f_b:Ce-Co-Ge-Ru,5.0,ABC2D_tI10_119_c_a_f_b:Ce-Co-Ge-Ru +mp-1198354,CeGe3Ru,-6.418039504,-0.602724452,0.0,-0.0655849083,GGA,Pm-3n,AB3C_cP40_223_ac_k_e:Ce-Ge-Ru,40.0,AB3C_cP40_223_ac_k_e:Ce-Ge-Ru +mp-29362,GaCuCl4,-3.7351387908,-1.3148972354,0.0,-0.0330072712,GGA,P-42c,A4BC_tP12_112_n_e_b:Cl-Cu-Ga,12.0,A4BC_tP12_112_n_e_b:Cl-Cu-Ga +mp-29300,Ga2CuCl8,-3.6660337786,-1.3984254155,0.0,-0.0081124986,GGA,P2_1/c,A8BC2_mP22_14_4e_a_e:Cl-Cu-Ga,22.0,"Invalid WP multiplicities - A8BC2_mP22_14_5e_a_e:Cl-Cu-Ga, expected Ga2CuCl10 to be Ga2CuCl8" +mp-1113185,Cs2GaCuCl6,-3.651551611,-1.6506188713,0.1212100326,0.1212100326,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Ga,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Ga +mp-1215466,ZnHgSe2,-2.80145303,-0.6626412974,0.0340100825,0.0340100825,GGA,R3m,AB2C_hR12_160_a_2a_a:Hg-Se-Zn,4.0,AB2C_hR12_160_a_2a_a:Hg-Se-Zn +mp-1205460,ZnHg3Se3Br2,-2.3237287372,-0.5721092041,0.1635868848,0.1635868848,GGA,P-1,A2B3C3D_aP18_2_2i_abcefh_3i_i:Br-Hg-Se-Zn,18.0,"Invalid WP multiplicities - A2B3C3D_aP18_2_2i_abcefh_6i_i:Br-Hg-Se-Zn, expected ZnHg3(Se3Br)2 to be ZnHg3Se3Br2" +mp-1113621,Cs2AlAgCl6,-3.825672917,-1.8796572633,0.0615411658,0.0615411658,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Cs +mp-1181852,CaTlCu3Se4,-3.8503446867,-0.4448436925,0.3805496293,0.3805496293,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-Tl,9.0,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-Tl +mp-1228166,Ba4(NbSe4)3,-5.6785333826,-1.4716516662,0.0994304419,0.0994304419,GGA,P2/m,A4B3C12_mP19_10_mn_bce_mn2o:Ba-Nb-Se,19.0,"Invalid WP multiplicities - A4B3C12_mP19_10_2mn_ace_2m2n8o:Ba-Nb-Se, expected Ba6Nb3Se40 to be Ba4(NbSe4)3" +mp-1228159,Ba4(NbSe4)3,-5.7188850016,-1.5120032852,0.0590788229,0.0590788229,GGA,C2/m,A4B3C12_mC38_12_2i_ai_2i2j:Ba-Nb-Se,19.0,"Invalid WP multiplicities - A4B3C12_mC38_12_3i_ai_4i8j:Ba-Nb-Se, expected Ba6Nb3Se40 to be Ba4(NbSe4)3" +mp-1195033,Ba3Nb2Se9,-5.6567300423,-1.5551058853000002,0.0031100822,0.0031100822,GGA,P2_1/c,A3B2C9_mP56_14_3e_2e_9e:Ba-Nb-Se,56.0,A3B2C9_mP56_14_3e_2e_9e:Ba-Nb-Se +mp-685931,Ba20Nb19Se60,-6.0032973869,-1.5582571523,0.0419362235,0.0419362235,GGA,P-1,A20B19C60_aP99_2_10i_abc8i_30i:Ba-Nb-Se,99.0,"Invalid WP multiplicities - A20B19C60_aP99_2_19i_abc16i_59i:Ba-Nb-Se, expected Ba38Nb35Se118 to be Ba20Nb19Se60" +mp-571293,Rb2BaNb2Se11,-5.1261649497,-1.217559986,0.0,-0.0507408796,GGA,P2_1/c,AB2C2D11_mP64_14_e_2e_2e_11e:Ba-Nb-Rb-Se,64.0,"Invalid WP multiplicities - AB2C2D11_mP64_14_e_6e_4e_40e:Ba-Nb-Rb-Se, expected Rb4Ba(Nb3Se20)2 to be Rb2BaNb2Se11" +mp-1114115,Rb2TlInBr6,-3.218960074,-1.5796035738,0.0389256915,0.0389256915,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Tl +mp-1226394,Cr2CuSe3Br,-5.8155367286,-0.7518132467,0.0614291889,0.0614291889,GGA,R-3m,AB2CD3_hR42_166_c_ad_c_h:Br-Cr-Cu-Se,14.0,AB2CD3_hR42_166_c_ad_c_h:Br-Cr-Cu-Se +mp-1223888,InAgSnSe4,-4.0223347029,-0.6541264887,0.0007466757,0.0007466757,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Ag-In-Se-Sn,7.0,ABC4D_tI14_82_a_c_g_b:Ag-In-Se-Sn +mp-13873,Ca(GaSe2)2,-4.4213139761,-1.2719657138,0.0,-0.0066270568,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Ca-Ga-Se,56.0,AB2C4_oF224_70_abe_2h_4h:Ca-Ga-Se +mp-30472,Ca2GaCu2,-3.34504682,-0.2975049955,0.0,-0.0274130865,GGA,Immm,A2B2C_oI10_71_e_g_c:Ca-Cu-Ga,5.0,A2B2C_oI10_71_e_g_c:Ca-Cu-Ga +mp-1181964,CaGaCu3Se4,-4.15977471,-0.6803345074,0.2282224681,0.2282224681,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Ga-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ca-Cu-Ga-Se +mp-1227096,CaGaCu,-3.3885582033,-0.3442573458,0.0040218169,0.0040218169,GGA,C2/m,ABC_mC12_12_i_i_i:Ca-Cu-Ga,6.0,ABC_mC12_12_i_i_i:Ca-Cu-Ga +mp-1102146,CsDyZnSe3,-4.5238811675,-1.6489366250000002,0.0,-0.1374956283,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Dy-Se-Zn,12.0,ABC3D_oC24_63_c_a_cf_c:Cs-Dy-Se-Zn +mp-7155,CsErZnSe3,-4.5167038858,-1.6482706817,0.0,-0.0829278128,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Er-Se-Zn,12.0,ABC3D_oC24_63_c_a_cf_c:Cs-Er-Se-Zn +mp-1189097,Pr2Al3Ge4,-4.8368162439,-0.4711884194,0.0095767997,0.0095767997,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Pr,18.0,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Pr +mp-1205486,Pr3(AgGe)4,-4.5669574064,-0.5519526156,0.0,-0.0236738418,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Pr,,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Pr +mp-1219927,Pr2Al3Ag,-4.3631665033,-0.4246506694,0.012663635,0.012663635,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Ag-Al-Pr,6.0,AB3C2_oP6_25_a_a2b_cd:Ag-Al-Pr +mp-1207205,Pr(AlGe)2,-4.74767154,-0.444048915,0.0,-0.0199793375,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Pr,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Pr +mp-1206286,PrAgGe,-4.686741325,-0.6079114539,0.0,-0.0280427165,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Ge-Pr,6.0,ABC_hP6_186_b_b_a:Ag-Ge-Pr +mp-1219929,Pr2Al3Ge,-4.81784178,-0.5809139708000001,0.0058803983,0.0058803983,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Al-Ge-Pr,6.0,A3BC2_oP6_25_a2b_a_cd:Al-Ge-Pr +mp-1101762,PrAl2Ag,-4.19600196,-0.4198486054,0.0,-0.0128680791,GGA,R-3m,AB2C_hR36_166_ac_h_bc:Ag-Al-Pr,12.0,AB2C_hR36_166_ac_h_bc:Ag-Al-Pr +mp-1190006,Pr2AlGe6,-5.01414892,-0.4535317567,0.0019885342,0.0019885342,GGA,C2/m,AB6C2_mC36_12_i_4ij_j:Al-Ge-Pr,18.0,AB6C2_mC36_12_i_4ij_j:Al-Ge-Pr +mp-1219803,PrAl3Ag,-4.185117418,-0.4150795683,0.0,-0.0530547186,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ag-Al-Pr,5.0,AB3C_tI10_107_a_ab_a:Ag-Al-Pr +mp-1209732,Pr2Al2Ge,-4.968634596,-0.633436391,0.0,-0.00536831,GGA,Cmcm,A2BC2_oC20_63_2c_c_2c:Al-Ge-Pr,,A2BC2_oC20_63_2c_c_2c:Al-Ge-Pr +mp-1219897,Pr5Al4(AgGe2)2,-4.767154562,-0.5642175272000001,0.0548023633,0.0548023633,GGA,Amm2,A2B4C4D5_oC30_38_2a_4a_4a_5b:Ag-Al-Ge-Pr,15.0,A2B4C4D5_oC30_38_2a_4a_4a_5b:Ag-Al-Ge-Pr +mp-5564,Pr(AgGe)2,-4.371134252,-0.4327195577,0.0,-0.0279543062,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Ge-Pr,5.0,A2B2C_tI10_139_d_e_a:Ag-Ge-Pr +mp-10450,PrAlGe,-5.0661717883,-0.683001975,0.0,-0.0646618504,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ge-Pr,6.0,ABC_tI12_109_a_a_a:Al-Ge-Pr +mp-1219864,Rb3Cu3Bi8Se15,-4.140899481,-0.7477337075,0.0250175667,0.0250175667,GGA,C2/c,A8B3C3D15_mC116_15_4f_ef_ef_e7f:Bi-Cu-Rb-Se,58.0,"Invalid WP multiplicities - A8B3C3D15_mC116_15_13f_2e2f_2e2f_2e26f:Bi-Cu-Rb-Se, expected Rb3Cu3Bi13Se27 to be Rb3Cu3Bi8Se15" +mp-30145,Rb2Bi8Se13,-4.204679485,-0.8076433809,0.0076496011,0.0076496011,GGA,P2_1/m,A8B2C13_mP46_11_8e_2e_13e:Bi-Rb-Se,46.0,A8B2C13_mP46_11_8e_2e_13e:Bi-Rb-Se +mp-29168,Rb3BiSe3,-3.6172088182,-1.1500908496,0.0,-0.0821253536,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-Rb-Se,28.0,AB3C3_cP28_198_a_3a_b:Bi-Rb-Se +mp-1225678,CuBiSe2,-4.147073505,-0.4141938162,0.1171969491,0.1171969491,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Cu-Se,4.0,ABC2_hR12_166_a_b_c:Bi-Cu-Se +mp-1219787,Rb2Bi4Se7,-4.1221629354,-0.907208704,0.0,-0.0165455305,GGA,P2_1/m,A4B2C7_mP26_11_4e_2e_7e:Bi-Rb-Se,26.0,A4B2C7_mP26_11_4e_2e_7e:Bi-Rb-Se +mp-1199896,Cu6BiSe6,-4.1810957465,-0.3802343607,0.0209964971,0.0209964971,GGA,Pnma,AB6C6_oP52_62_c_6c_6c:Bi-Cu-Se,52.0,AB6C6_oP52_62_c_6c_6c:Bi-Cu-Se +mp-1219645,RbBi4Se7,-4.1964792471,-0.7953233357,0.00123979,0.00123979,GGA,C2/m,A4BC7_mC48_12_4i_i_7i:Bi-Rb-Se,24.0,A4BC7_mC48_12_4i_i_7i:Bi-Rb-Se +mp-1209506,RbBi3Se5,-4.1568018454,-0.8255175286,0.0247902285,0.0211442552,GGA,C2/m,A3BC5_mC108_12_ad8i_3i_15i:Bi-Rb-Se,54.0,A3BC5_mC108_12_ad8i_3i_15i:Bi-Rb-Se +mp-1209327,RbBi3Se5,-4.1815920739,-0.8503077571000001,0.0,-0.0036459733,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:Bi-Rb-Se,36.0,A3BC5_oP36_62_3c_c_5c:Bi-Rb-Se +mp-669550,Ce3Mn(Al3Cu)8,-4.3463026422,-0.1893927523,0.1103767744,0.1103767744,GGA,Pm-3m,A24B3C8D_cP36_221_ij_c_g_a:Al-Ce-Cu-Mn,36.0,"Invalid WP multiplicities - A24B3C8D_cP36_221_7i7j_c_g_a:Al-Ce-Cu-Mn, expected Ce3Mn(Al21Cu)8 to be Ce3Mn(Al3Cu)8" +mp-1226628,CeMnAl,-6.4865686867,-0.2063419276,0.0257483507,0.0257483507,GGA,Imma,ABC_oI12_74_a_e_c:Al-Ce-Mn,6.0,ABC_oI12_74_a_e_c:Al-Ce-Mn +mp-1226844,Ce2Mn3Al,-7.2434297275,-0.0604630581,0.055582081,0.055582081,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Al-Ce-Mn,12.0,AB2C3_hP12_194_a_f_h:Al-Ce-Mn +mp-1227019,Ce2Mn7Al10,-6.2667815674,-0.2954108487,0.0231424285,0.0231424285,GGA,Cm,A10B2C7_mC38_8_2a4b_2a_3a2b:Al-Ce-Mn,19.0,"Invalid WP multiplicities - A10B2C7_mC38_8_2a7b_2a_3a3b:Al-Ce-Mn, expected Ce2Mn9Al16 to be Ce2Mn7Al10" +mp-16487,Ce(MnAl2)4,-5.9110572477000005,-0.3306144044,0.0,-0.0124941027,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ce-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-Ce-Mn +mp-1220435,Nb6TlSe8,-7.1209470453,-1.0584293648,0.0104790473,0.0104790473,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-Se-Tl,15.0,A6B8C_hP15_147_g_dg_a:Nb-Se-Tl +mp-570757,Nb2Tl3CuSe12,-4.8450716311,-0.770589191,0.0,-0.0165419946,GGA,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Cu-Nb-Se-Tl,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_2e_45e_11e:Cu-Nb-Se-Tl, expected Nb2Tl11CuSe45 to be Nb2Tl3CuSe12" +mp-1025396,NbTl3Se4,-4.7206839,-0.8240738512,0.0,-0.0659918225,GGA,I-43m,AB4C3_cI16_217_a_c_b:Nb-Se-Tl,8.0,AB4C3_cI16_217_a_c_b:Nb-Se-Tl +mp-638104,Nb2Tl4Se11,-4.7987574376,-0.792392207,0.0,-0.0179730499,GGA,P-1,A2B11C4_aP34_2_2i_11i_4i:Nb-Se-Tl,34.0,"Invalid WP multiplicities - A2B11C4_aP34_2_2i_20i_6i:Nb-Se-Tl, expected NbTl3Se10 to be Nb2Tl4Se11" +mp-1220574,Nb9TlSe12,-7.2398075232,-1.0932017851,0.0,-0.0106707297,GGA,R-3,A9B12C_hR132_148_3f_4f_ab:Nb-Se-Tl,44.0,"Invalid WP multiplicities - A9B12C_hR132_148_16f_17f_ab:Nb-Se-Tl, expected Nb48TlSe51 to be Nb9TlSe12" +mp-1203892,Cs3Ti3Te11,-4.6019271641,-1.0166890469,0.0,-0.0441073592,GGA,P2_1/c,A3B11C3_mP68_14_3e_11e_3e:Cs-Te-Ti,68.0,A3B11C3_mP68_14_3e_11e_3e:Cs-Te-Ti +mp-1228812,CsTi2(CuTe4)2,-4.6211692962,-0.7726118429000001,0.0,-0.0031089503,GGA,Cm,AB2C8D2_mC26_8_a_2a_8a_2a:Cs-Cu-Te-Ti,13.0,AB2C8D2_mC26_8_a_2a_8a_2a:Cs-Cu-Te-Ti +mp-541754,TiCu2Te3,-4.8760872575,-0.6221167514,0.0,-0.0407192533,GGA,C2/m,A2B3C_mC24_12_2i_3i_i:Cu-Te-Ti,12.0,A2B3C_mC24_12_2i_3i_i:Cu-Te-Ti +mp-1229027,AlCuSnSe4,-4.4639280643,-0.7727851692000001,0.0,-0.0003053793,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Al-Cu-Se-Sn,7.0,ABC4D_tI14_82_a_b_g_c:Al-Cu-Se-Sn +mp-1113494,Rb2LuAuCl6,-4.126951832,-2.0422397695,0.0971597859,0.0971597859,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Lu-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Lu-Rb +mp-1111822,Cs2NaMoBr6,-3.969369412,-1.6416543992,0.028755468,0.028755468,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Mo-Na +mp-1219758,Rb2CrBrCl3,-4.5226144536,-1.8493638929,0.0013865496,0.0013865496,GGA,Aea2,AB3CD2_oC28_41_a_ab_a_2a:Br-Cl-Cr-Rb,14.0,AB3CD2_oC28_41_a_ab_a_2a:Br-Cl-Cr-Rb +mp-1219755,Rb2Cr(BrCl)2,-4.4261597379,-1.7951246529,0.0,-0.0046454407,GGA,Cmce,A2B2CD2_oC28_64_d_f_a_d:Br-Cl-Cr-Rb,14.0,A2B2CD2_oC28_64_d_f_a_d:Br-Cl-Cr-Rb +mp-1025321,Rb2Cr(BrCl)2,-4.4160065414,-1.7849714564,0.0101531964,0.0055077557,GGA,I4/mmm,A2B2CD2_tI14_139_e_c_a_e:Br-Cl-Cr-Rb,7.0,A2B2CD2_tI14_139_e_c_a_e:Br-Cl-Cr-Rb +mp-1110994,Na2LuCuCl6,-4.165678965,-1.9300361913,0.1499954071,0.1499954071,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Lu-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Lu-Na +mp-1113976,Rb2LiLuCl6,-4.414676198,-2.4664600488,0.0,-0.0053220763,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Lu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Lu-Rb +mp-1110810,Rb2AgBiCl6,-3.643530701,-1.6709973772,0.0,-0.0494312683,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-Rb +mp-1214348,BaLaAgTe3,-4.7333260275,-1.5470834061,0.0,-0.0378897592,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-La-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-La-Te +mp-18501,Ba(AgTe)2,-3.7310183035,-0.9568785568,0.0,-0.0339361815,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Ag-Ba-Te,20.0,A2BC2_oP20_62_2c_c_2c:Ag-Ba-Te +mp-571163,MnSbRh2,-7.2961728225,-0.2912647545,0.0939347306,0.0939347306,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Mn-Rh-Sb,4.0,AB2C_tP4_123_a_e_c:Mn-Rh-Sb +mp-1221568,MnSbRh2,-7.0806283075,-0.0757202395,0.3094792456,0.3094792456,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Mn-Rh-Sb,4.0,AB2C_tP4_123_a_h_b:Mn-Rh-Sb +mp-4846,MnSbRh,-7.14960278,-0.264494646,0.1302279882,0.1302279882,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Rh-Sb,3.0,ABC_cF12_216_a_c_b:Mn-Rh-Sb +mp-568891,MnSbRh,-6.9428408533,-0.0577327193,0.3369899149,0.3369899149,GGA,F-43m,ABC_cF12_216_a_b_c:Mn-Rh-Sb,3.0,ABC_cF12_216_a_b_c:Mn-Rh-Sb +mp-568983,MnSbRh,-6.95704245,-0.071934316,0.3227883182,0.3227883182,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Rh-Sb,3.0,ABC_cF12_216_c_a_b:Mn-Rh-Sb +mp-1221683,Mn6PtRh,-8.6960535112,-0.1451118934,0.0,-0.0043228565,GGA,P4/mmm,A6BC_tP8_123_abi_c_d:Mn-Pt-Rh,8.0,A6BC_tP8_123_abi_c_d:Mn-Pt-Rh +mp-865032,Mn2PtRh,-8.2214460175,-0.281578074,0.0,-0.019319765,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Pt-Rh,4.0,A2BC_cF16_225_c_a_b:Mn-Pt-Rh +mp-1221535,Mn2Sb2PtRh,-6.724902805,-0.0553237626,0.3560963858,0.3560963858,GGA,R3m,A2BCD2_hR18_160_2a_a_a_2a:Mn-Pt-Rh-Sb,6.0,A2BCD2_hR18_160_2a_a_a_2a:Mn-Pt-Rh-Sb +mp-1096720,MnCuPt2,-4.096493075,2.2543790755,2.5339724758,2.5339724758,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Mn-Pt,4.0,ABC2_oI8_71_a_b_e:Cu-Mn-Pt +mp-1185992,MnCuPt2,-6.61141385,-0.2605416995,0.0190517008,0.0190517008,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Mn-Pt,4.0,ABC2_cF16_225_a_b_c:Cu-Mn-Pt +mp-1206110,MnCuPt6,-6.4031321075,-0.1921293722,0.0258066433,0.0258066433,GGA,Fm-3m,ABC6_cF32_225_a_b_d:Cu-Mn-Pt,8.0,ABC6_cF32_225_a_b_d:Cu-Mn-Pt +mp-1221896,Mn2CuSb2Pt,-6.323222605,-0.197827096,0.0583498942,0.0583498942,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Pt-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Pt-Sb +mp-1111655,Rb2AgAsCl6,-3.592372869,-1.5379766177,0.0,-0.0071134895,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-Rb +mp-1190295,CsPr2Ag3Te5,-4.2548205614,-1.1028740742,0.0,-0.0303257749,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Pr-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Pr-Te +mp-1228543,Ba4Na(FeAs)10,-6.0862461884,-0.4746533403,0.0261340054,0.0261340054,GGA,I4/m,A10B4C10D_tI50_87_ei_h_di_a:As-Ba-Fe-Na,25.0,"Invalid WP multiplicities - A10B4C10D_tI50_87_2e3i_h_2d2i_a:As-Ba-Fe-Na, expected Ba4Na(Fe5As7)4 to be Ba4Na(FeAs)10" +mp-1228583,Ba2Na(FeAs)6,-6.0399377927,-0.4442502684,0.014487451,0.014487451,GGA,C2/m,A6B2C6D_mC30_12_3i_i_hj_a:As-Ba-Fe-Na,15.0,"Invalid WP multiplicities - A6B2C6D_mC30_12_5i_i_2hj_a:As-Ba-Fe-Na, expected Ba2Na(Fe4As5)2 to be Ba2Na(FeAs)6" +mp-1227868,BaNa(FeAs)4,-5.962394279,-0.3865884097,0.019587277,0.019587277,GGA,Cmmm,A4BC4D_oC20_65_gh_a_m_c:As-Ba-Fe-Na,10.0,"Invalid WP multiplicities - A4BC4D_oC20_65_2gh_c_m_a:As-Ba-Fe-Na, expected BaNa(Fe2As3)2 to be BaNa(FeAs)4" +mp-867308,InCuPd2,-4.6877485975,-0.3850850925,0.0019519244,0.0019519244,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-In-Pd,4.0,ABC2_cF16_225_a_b_c:Cu-In-Pd +mp-1221901,Mn2In2CuPd3,-5.7065582025,-0.2732769345,0.0493872749,0.0493872749,GGA,R3m,AB2C2D3_hR24_160_a_2a_2a_3a:Cu-In-Mn-Pd,8.0,AB2C2D3_hR24_160_a_2a_2a_3a:Cu-In-Mn-Pd +mp-1111879,Cs2CuSbBr6,-3.347863753,-1.4141454896,0.0376184367,0.0376184367,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Sb +mp-1179888,NaCu3PbSe4,-3.73959023,-0.2599859762,0.3317467628,0.3317467628,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Na-Pb-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Na-Pb-Se +mp-20804,Rb(InAu2)2,-3.0637160879,-0.2666547261,0.0,-0.029209065,GGA,I4/mcm,A4B2C_tI28_140_l_h_a:Au-In-Rb,14.0,A4B2C_tI28_140_l_h_a:Au-In-Rb +mp-1111717,Rb2InAuBr6,-3.120409002,-1.3899286165,0.0918881007,0.0918881007,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-In-Rb +mp-568168,Rb(In3Au2)2,-3.0318497636,-0.2512893589,0.0,-0.0143789991,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:Au-In-Rb,11.0,"Invalid WP multiplicities - A4B6C_hP11_187_a2k_3j3k_c:Au-In-Rb, expected RbIn18Au7 to be Rb(In3Au2)2" +mp-1215282,ZrCrCu,-7.3808671833,0.0524510733,0.1524112362,0.1524112362,GGA,Imma,ABC_oI12_74_a_c_e:Cr-Cu-Zr,6.0,ABC_oI12_74_a_c_e:Cr-Cu-Zr +mp-1215285,ZrCrCuSe4,-6.234390685,-1.0510191592,0.0297727696,0.0297727696,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-Se-Zr,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-Se-Zr, expected ZrCrCuSe8 to be ZrCrCuSe4" +mp-1210456,Na3Eu2(GeSe3)2,-5.5124210238,-1.3044899426,0.0698071429,0.0698071429,GGA,C2/m,A2B2C3D6_mC26_12_h_i_ag_ij:Eu-Ge-Na-Se,13.0,A2B2C3D6_mC26_12_h_i_ag_ij:Eu-Ge-Na-Se +mp-1221197,Na4Eu(GeSe3)2,-4.7455951846,-1.2249315269,0.0,-0.0098619631,GGA,C2,AB2C4D6_mC26_5_a_c_a3b_3c:Eu-Ge-Na-Se,13.0,"Invalid WP multiplicities - AB2C4D6_mC26_5_a_c_a3b_4c:Eu-Ge-Na-Se, expected Na4Eu(GeSe4)2 to be Na4Eu(GeSe3)2" +mp-1221353,Na2EuGeSe4,-5.2190719962,-1.2804812272,0.0344079403,0.0344079403,GGA,I-42m,ABC2D4_tI16_121_a_b_c_i:Eu-Ge-Na-Se,8.0,ABC2D4_tI16_121_a_b_c_i:Eu-Ge-Na-Se +mp-628758,Eu2Ge2Se5,-6.5481075083,-1.2992612085,0.0070119596,0.0070119596,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:Eu-Ge-Se,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_6e_5e_18e:Eu-Ge-Se, expected Eu6Ge5Se18 to be Eu2Ge2Se5" +mp-629088,Eu2GeSe4,-7.1102446514,-1.5215764563,0.0288595909,0.0288595909,GGA,P2_1,A2BC4_mP14_4_2a_a_4a:Eu-Ge-Se,14.0,"Invalid WP multiplicities - A2BC4_mP14_4_4a_a_8a:Eu-Ge-Se, expected Eu4GeSe8 to be Eu2GeSe4" +mp-505740,Eu2GeSe4,-7.0952738471,-1.5066056521,0.0438303952,0.0438303952,GGA,P2_1/m,A2BC4_mP14_11_2e_e_2ef:Eu-Ge-Se,14.0,"Invalid WP multiplicities - A2BC4_mP14_11_2e_e_3e3f:Eu-Ge-Se, expected Eu2GeSe9 to be Eu2GeSe4" +mp-1221521,MnZnTe4,-4.2424537533,-0.4099566741,0.0203586931,0.0203586931,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Mn-Te-Zn,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_d:Mn-Te-Zn, expected MnZnTe8 to be MnZnTe4" +mp-1104014,Mn2ZnTe4,-5.068805075,-0.4749482511,0.0,-0.0194232124,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Mn-Te-Zn,14.0,A2B4C_cF56_227_c_e_b:Mn-Te-Zn +mp-1221497,MnZnTe2,-4.6654674575,-0.4883747853,0.0167327056,0.0167327056,GGA,P-4m2,AB2C_tP4_115_a_g_c:Mn-Te-Zn,4.0,AB2C_tP4_115_a_g_c:Mn-Te-Zn +mp-1221505,MnZnTe2,-4.65611575,-0.4790230778,0.0260844131,0.0260844131,GGA,R3m,AB2C_hR12_160_a_2a_a:Mn-Te-Zn,4.0,AB2C_hR12_160_a_2a_a:Mn-Te-Zn +mp-1221520,MnZnCdTe3,-4.0060716483,-0.5436439247,0.0161972837,0.0161972837,GGA,Imm2,ABC3D_oI12_44_a_a_3b_a:Cd-Mn-Te-Zn,6.0,ABC3D_oI12_44_a_a_3b_a:Cd-Mn-Te-Zn +mp-1096436,Tl2InSn,-1.7943024925,1.0773329771,1.0773329771,1.0773329771,GGA,Immm,ABC2_oI8_71_a_b_e:In-Sn-Tl,4.0,ABC2_oI8_71_a_b_e:In-Sn-Tl +mp-1217041,Tl3In3SnSe8,-3.6020820453,-0.4474257582,0.288600821,0.288600821,GGA,C2,A3B8CD3_mC30_5_ac_4c_b_ac:In-Se-Sn-Tl,15.0,"Invalid WP multiplicities - A3B8CD3_mC30_5_ac_8c_b_ac:In-Se-Sn-Tl, expected Tl3In3SnSe16 to be Tl3In3SnSe8" +mp-8769,Rb2CoSe2,-4.119060886,-0.9068191069,0.0282002139,0.0282002139,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Rb-Se,10.0,AB2C2_oI20_72_a_j_j:Co-Rb-Se +mp-570091,Rb(CoSe)2,-5.095234882,-0.6574363584,0.0214015178,0.0214015178,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Rb-Se,5.0,A2BC2_tI10_139_d_a_e:Co-Rb-Se +mp-1179750,RbCoCu3Se4,-4.2395611844,-0.420659208,0.1722252007,0.1722252007,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Rb-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Co-Cu-Rb-Se +mp-996941,Cs2RbInBr6,-3.275028772,-1.7909095193,0.0129045105,0.0129045105,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Rb +mp-1111779,CsRb2InBr6,-3.214755295,-1.7221228723,0.0768305975,0.0768305975,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cs-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cs-In-Rb +mp-541430,BaLaCuSe3,-5.4305919779,-1.8569381199,0.0,-0.0481324117,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-La-Se,24.0,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-La-Se +mp-1087226,NaAl2Sb,-3.056911585,0.1787579634,0.4393078891,0.4393078891,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Al-Na-Sb,8.0,A2BC_hP8_194_f_a_c:Al-Na-Sb +mp-28267,Na7Al2Sb5,-3.1190886539,-0.4481004458,0.0,-0.0294720235,GGA,P2_1/m,A2B7C5_mP28_11_f_3e2f_e2f:Al-Na-Sb,28.0,"Invalid WP multiplicities - A2B7C5_mP28_11_f_5e7f_e4f:Al-Na-Sb, expected Na19Al2Sb9 to be Na7Al2Sb5" +mp-1100420,NaCaSb,-3.0391133167,-0.5534045122,0.2431504916,0.2431504916,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Na-Sb,3.0,ABC_cF12_216_a_c_b:Ca-Na-Sb +mp-18300,Ca3AlSb3,-4.0814342486,-0.9172372214,0.0,-0.0067573155,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Al-Ca-Sb,28.0,AB3C3_oP28_62_c_3c_3c:Al-Ca-Sb +mp-30039,Na2Al2Sb3,-3.5868061896,-0.3692053372,0.0,-0.0057361853,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:Al-Na-Sb,56.0,"Invalid WP multiplicities - A2B2C3_mP56_14_6e_4e_7e:Al-Na-Sb, expected Na4Al6Sb7 to be Na2Al2Sb3" +mp-567799,Ca14AlSb11,-4.0459037358,-1.07501959,0.0,-0.0159962575,GGA,I4_1/acd,AB14C11_tI208_142_a_e3g_bf2g:Al-Ca-Sb,104.0,"Invalid WP multiplicities - AB14C11_tI208_142_a_6e32g_4b5f19g:Al-Ca-Sb, expected Ca140AlSb90 to be Ca14AlSb11" +mp-1147656,Ca(AlSb)2,-3.900181972,-0.349231168,0.1810120367,0.1810120367,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ca-Sb,5.0,A2BC2_hP5_164_d_a_d:Al-Ca-Sb +mp-1214215,Ca11AlSb9,-4.058989809,-1.0605047771,0.0,-0.006668362,GGA,Iba2,AB11C9_oI84_45_a_a5c_b4c:Al-Ca-Sb,42.0,AB11C9_oI84_45_a_a5c_b4c:Al-Ca-Sb +mp-1190339,Na3Ca3AlSb4,-3.5280610641,-0.7784286722,0.0,-0.0190844567,GGA,P6_3mc,AB3C3D4_hP22_186_b_c_c_bc:Al-Ca-Na-Sb,22.0,AB3C3D4_hP22_186_b_c_c_bc:Al-Ca-Na-Sb +mp-8439,Ca5(AlSb3)2,-4.1126627719,-0.8593428873000001,0.0,-0.0196211984,GGA,Pbam,A2B5C6_oP26_55_h_a2g_g2h:Al-Ca-Sb,26.0,"Invalid WP multiplicities - A2B5C6_oP26_55_h_a5g_g2h:Al-Ca-Sb, expected Ca11(AlSb3)2 to be Ca5(AlSb3)2" +mp-1093799,NaCa2Al,-0.8780939425000001,1.3917312784,1.5282136879,1.5282136879,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ca-Na,4.0,AB2C_oI8_71_a_e_b:Al-Ca-Na +mp-1199385,Er10In20Ni9,-4.3351335133,-0.4189260051,0.0,-0.0011652222,GGA,P4/nmm,A10B20C9_tP78_129_2cij_gh2ij_aij:Er-In-Ni,78.0,A10B20C9_tP78_129_2cij_gh2ij_aij:Er-In-Ni +mp-1067986,Er2InNi2,-5.233210554,-0.5437316120000001,0.0,-0.0408848792,GGA,Cmmm,A2BC2_oC10_65_h_a_g:Er-In-Ni,5.0,A2BC2_oC10_65_h_a_g:Er-In-Ni +mp-1079954,Er2InNi2,-5.212888888,-0.523409946,0.020321666,-0.0205632132,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Er-In-Ni,10.0,A2BC2_tP10_127_h_a_g:Er-In-Ni +mp-31427,ErInNi,-4.8699608333,-0.50344776,0.0,-0.0163002079,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-In-Ni,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Er-In-Ni, expected Er3In3Ni5 to be ErInNi" +mp-13508,Er4In(NiGe2)2,-5.4123701145,-0.76919341,0.0,-0.0130027826,GGA,C2/m,A4B4CD2_mC22_12_2i_2i_a_i:Er-Ge-In-Ni,11.0,A4B4CD2_mC22_12_2i_2i_a_i:Er-Ge-In-Ni +mp-1213219,Er5InNi2,-5.0144612613,-0.3706423688,0.0051613975,0.0051613975,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Er-In-Ni,16.0,A5BC2_tI32_140_cl_a_h:Er-In-Ni +mp-1190745,ErIn2Ni9,-5.3913090362,-0.2169493371,0.0136094704,0.0136094704,GGA,P4/mbm,AB2C9_tP24_127_a_g_cjk:Er-In-Ni,24.0,AB2C9_tP24_127_a_g_cjk:Er-In-Ni +mp-1192568,Er5(In2Ni)2,-4.6491171541,-0.5213351241,0.0,-0.0442276932,GGA,Pbam,A5B4C2_oP22_55_a2g_2h_h:Er-In-Ni,22.0,A5B4C2_oP22_55_a2g_2h_h:Er-In-Ni +mp-1024983,ErInNi4,-5.4761910983,-0.4028662217,0.0,-0.0536526105,GGA,F-43m,ABC4_cF24_216_a_c_e:Er-In-Ni,6.0,ABC4_cF24_216_a_c_e:Er-In-Ni +mp-1197179,Er11(In3Ge2)2,-4.7023759252,-0.6429892248,0.0,-0.0295730715,GGA,I4/mmm,A11B4C6_tI84_139_eh2n_dei_hm:Er-Ge-In,42.0,A11B4C6_tI84_139_eh2n_dei_hm:Er-Ge-In +mp-1220411,NbCu3(TeSe)2,-5.0842235912,-0.6245536173,0.0022550031,0.0022550031,GGA,Cmm2,A3BC2D2_oC16_35_ac_a_d_e:Cu-Nb-Se-Te,8.0,A3BC2D2_oC16_35_ac_a_d_e:Cu-Nb-Se-Te +mp-1210422,Na3Eu2(SiTe3)2,-5.1934230908,-1.0248037907,0.0789469843,0.0789469843,GGA,C2/m,A2B3C2D6_mC26_12_h_ag_i_ij:Eu-Na-Si-Te,13.0,A2B3C2D6_mC26_12_h_ag_i_ij:Eu-Na-Si-Te +mp-1221196,Na4Eu(SiTe3)2,-4.4543009108,-0.9729490343,0.0,-0.0072380393,GGA,C2,AB4C2D6_mC26_5_a_a3b_c_3c:Eu-Na-Si-Te,13.0,"Invalid WP multiplicities - AB4C2D6_mC26_5_a_a3b_c_4c:Eu-Na-Si-Te, expected Na4Eu(SiTe4)2 to be Na4Eu(SiTe3)2" +mp-568954,Nd3CuGeSe7,-5.5427718729,-1.5846004424,0.0,-0.033527748,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-Nd-Se,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_2b8c:Cu-Ge-Nd-Se, expected Nd3CuGeSe26 to be Nd3CuGeSe7" +mp-1220273,Nd6Ge3Se14,-5.5917871157,-1.6169728179,0.0,-0.0098286047,GGA,P3,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Nd-Se,23.0,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Nd-Se +mp-1221156,Na4Sr2TiAs4,-3.9887678227,-0.7886720303,0.0,-0.0159336068,GGA,Cc,A4B4C2D_mC44_9_4a_4a_2a_a:As-Na-Sr-Ti,22.0,"Invalid WP multiplicities - A4B4C2D_mC44_9_7a_7a_4a_a:As-Na-Sr-Ti, expected Na7Sr4TiAs7 to be Na4Sr2TiAs4" +mp-15501,Sr4TiAs4,-4.8236416979,-1.1247595368,0.0,-0.0425567039,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:As-Sr-Ti,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_2e3i_ei_2ac:As-Sr-Ti, expected Sr16Ti5As44 to be Sr4TiAs4" +mp-1187142,Sr3Ti,-2.7188975675,0.5220955267,0.5220955267,0.5220955267,GGA,I4/mmm,A3B_tI8_139_ad_b:Sr-Ti,4.0,A3B_tI8_139_ad_b:Sr-Ti +mp-9071,Na8TiAs4,-3.3838136515,-0.5290314989,0.0,-0.0391842532,GGA,Fd-3m,A4B8C_cF104_227_e_cf_a:As-Na-Ti,26.0,A4B8C_cF104_227_e_cf_a:As-Na-Ti +mp-636619,Gd2MnGa6,-6.6936304333,-0.5288708881,0.0,-0.0356968644,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Ga-Gd-Mn,9.0,A6B2C_cF36_225_e_c_a:Ga-Gd-Mn +mp-1225060,Gd3Mn3Ga2Si,-9.3396012356,-0.3178320499,0.1445881549,0.1445881549,GGA,P-6,A2B3C3D_hP9_174_ad_k_j_e:Ga-Gd-Mn-Si,9.0,A2B3C3D_hP9_174_ad_k_j_e:Ga-Gd-Mn-Si +mp-1225634,Dy3Mn3Ga2Si,-6.2015248989,-0.3362008465,0.1222503867,0.1222503867,GGA,P-6,A3B2C3D_hP9_174_k_ad_j_e:Dy-Ga-Mn-Si,9.0,A3B2C3D_hP9_174_k_ad_j_e:Dy-Ga-Mn-Si +mp-21038,Dy3Mn3Ga2Si,-6.20187241,-0.3365483576,0.1219028756,0.1219028756,GGA,P-62m,A3B2C3D_hP9_189_f_d_g_a:Dy-Ga-Mn-Si,9.0,A3B2C3D_hP9_189_f_d_g_a:Dy-Ga-Mn-Si +mp-1226744,DyMnGa,-5.7710890567,-0.1721230051,0.247067489,0.247067489,GGA,Amm2,ABC_oC18_38_ad_ae_be:Dy-Ga-Mn,9.0,ABC_oC18_38_ad_ae_be:Dy-Ga-Mn +mp-1080064,DyMnGa,-5.8706674122,-0.2717013607,0.1474891335,0.1474891335,GGA,P-62m,ABC_hP9_189_f_ad_g:Dy-Ga-Mn,9.0,ABC_hP9_189_f_ad_g:Dy-Ga-Mn +mp-1206383,DyMnGa,-5.7887202711,-0.1897542196,0.2294362746,0.2294362746,GGA,P-62m,ABC_hP9_189_f_g_ad:Dy-Ga-Mn,9.0,ABC_hP9_189_f_g_ad:Dy-Ga-Mn +mp-1198406,Dy2Mn12Ga5,-6.9986534861,0.0696747928,0.2873547015,0.2873547015,GGA,Cmcm,A2B5C12_oC76_63_2c_adf_f3gh:Dy-Ga-Mn,38.0,"Invalid WP multiplicities - A2B5C12_oC76_63_2c_2a3df_4f10g5h:Dy-Ga-Mn, expected DyMn24Ga5 to be Dy2Mn12Ga5" +mp-1237201,Dy2Mn12Ga5,-7.0719028711,-0.0035745922,0.2141053165,0.2141053165,GGA,P6_3/mmc,A2B5C12_hP38_194_bc_fg_jk:Dy-Ga-Mn,38.0,A2B5C12_hP38_194_bc_fg_jk:Dy-Ga-Mn +mp-10244,Zr3(CuSi)4,-6.3528735409,-0.5582189327,0.0,-0.0119236722,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Zr,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Zr +mp-9929,ZrCuSiAs,-6.2746927837,-0.59185685,0.0,-0.0018890228,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Cu-Si-Zr,8.0,ABCD_tP8_129_c_a_b_c:As-Cu-Si-Zr +mp-22522,ZrCuSi,-6.6686253217,-0.6445502117,0.0,-0.0451782567,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Si-Zr,12.0,ABC_oP12_62_c_c_c:Cu-Si-Zr +mp-7930,Zr3(Cu2Si)2,-6.3894943778,-0.5127649744,0.0,-0.0102545604,GGA,P-62m,A4B2C3_hP9_189_ag_d_f:Cu-Si-Zr,9.0,A4B2C3_hP9_189_ag_d_f:Cu-Si-Zr +mp-19953,ZrCuSi2,-6.3678381975,-0.4934523575,0.0173797659,0.0173797659,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Si-Zr,8.0,AB2C_tP8_129_a_bc_c:Cu-Si-Zr +mp-1104732,Zr2CuSi4,-6.61852757,-0.4905447057,0.0586998613,0.0586998613,GGA,Cmcm,AB4C2_oC28_63_c_4c_2c:Cu-Si-Zr,14.0,AB4C2_oC28_63_c_4c_2c:Cu-Si-Zr +mp-27961,Zr3(Cu2Si3)2,-6.2279820962,-0.4901485,0.0,-0.0178094031,GGA,I4/mmm,A4B6C3_tI26_139_g_d2e_ae:Cu-Si-Zr,13.0,A4B6C3_tI26_139_g_d2e_ae:Cu-Si-Zr +mp-680161,Sm8CrTe13Cl,-5.622333073,-1.7043656894,0.0,-0.0881476594,GGA,Cmc2_1,ABC8D13_oC92_36_a_a_8a_13a:Cl-Cr-Sm-Te,46.0,"Invalid WP multiplicities - ABC8D13_oC92_36_a_a_15a_25a:Cl-Cr-Sm-Te, expected Sm15CrTe25Cl to be Sm8CrTe13Cl" +mp-1111728,Cs2NaTaBr6,-4.102019657,-1.6730918922,0.0950206486,0.0950206486,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Ta +mp-1113570,Cs2CeAgCl6,-4.350780739,-2.1860137528,0.0248439463,0.0248439463,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-Cs +mp-1111839,Cs2LiPrBr6,-3.974490981,-2.1946106464,0.0,-0.0319821215,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Pr +mp-1110707,Rb2LiTaBr6,-4.132009441,-1.6274155788,0.1292207936,0.1292207936,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Ta +mp-1112998,Cs2LiTmCl6,-4.41901116,-2.4923328606,0.0,-0.0014479043,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Tm +mp-1209503,Rb8Zr6MnBr20,-4.705038788,-1.8663799808,0.0,-0.0513827461,GGA,Fm-3m,A20BC8D6_cF140_225_ceh_a_f_e:Br-Mn-Rb-Zr,35.0,A20BC8D6_cF140_225_ceh_a_f_e:Br-Mn-Rb-Zr +mp-1209364,Rb3MnBr5,-4.0145967939,-1.8069568873,0.0,-0.0070121702,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Br-Mn-Rb,18.0,A5BC3_tI36_140_cl_b_ah:Br-Mn-Rb +mp-28002,Rb3Mn2Br7,-4.3216161817,-1.6435469224,0.0237269777,0.0237269777,GGA,I4/mmm,A7B2C3_tI24_139_aeg_e_be:Br-Mn-Rb,12.0,"Invalid WP multiplicities - A7B2C3_tI24_139_a2e2g_e_b2e:Br-Mn-Rb, expected Rb5Mn2Br13 to be Rb3Mn2Br7" +mp-27263,Rb2MnBr4,-4.1865921857,-1.7101355061,0.0170025313,0.0170025313,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Br-Mn-Rb,7.0,"Invalid WP multiplicities - A4BC2_tI14_139_2c2e_a_e:Br-Mn-Rb, expected Rb2MnBr8 to be Rb2MnBr4" +mp-568231,RbMnBr3,-4.5437909787,-1.5834641078,0.0,-0.0092985663,GGA,P6_3cm,A3BC_hP30_185_cd_ab_c:Br-Mn-Rb,30.0,"Invalid WP multiplicities - A3BC_hP30_185_5c6d_ab_c:Br-Mn-Rb, expected RbMnBr17 to be RbMnBr3" +mp-29763,RbMnBr3,-4.542519885,-1.5821930141,0.0012710937,-0.0080274727,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Br-Mn-Rb,10.0,A3BC_hP10_194_h_a_c:Br-Mn-Rb +mp-1206059,Rb2NaCrCl6,-4.392179571,-1.9893934842,0.0,-0.0309300892,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cr-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cr-Na-Rb +mp-1112118,Cs2RbSmCl6,-4.347346903,-2.4892324118,0.0,-0.0031213716,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Sm +mp-1111626,Rb2AsAuCl6,-3.524875566,-1.426346715,0.0633847788,0.0633847788,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-Rb +mp-1112661,Cs2NaBiBr6,-3.379714412,-1.7525154972,0.001677661,0.001677661,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Na +mp-1111835,Cs2LiSbBr6,-3.396910156,-1.6822202729,0.0224785615,0.0224785615,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Sb +mp-1025568,MnAg2GeTe4,-4.30143425,-0.2985119091,0.0049340269,0.0049340269,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-Ge-Mn-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-Ge-Mn-Te +mp-1111718,Rb2GaAuBr6,-3.113023197,-1.3549015822,0.1414022882,0.1414022882,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Ga-Rb +mp-1212094,Lu10Ni28As19,-5.8842871481,-0.698733079,0.0,-0.0006112147,GGA,P-6,A19B10C28_hP57_174_a3j3k_cj2k_f5j4k:As-Lu-Ni,57.0,A19B10C28_hP57_174_a3j3k_cj2k_f5j4k:As-Lu-Ni +mp-1104964,Lu(Ni2As)2,-5.8942620071,-0.6143000000000001,0.0,-0.0325340355,GGA,P4_2/mnm,A2BC4_tP14_136_f_a_i:As-Lu-Ni,14.0,A2BC4_tP14_136_f_a_i:As-Lu-Ni +mp-973921,Lu2Ni12As7,-5.8023614076,-0.5158199774000001,0.0,-0.0032617482,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Lu-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Lu-Ni +mp-1196994,Lu5Zr3(Ni4As3)4,-6.2629774967,-0.8007702125,0.0,-0.0340397342,GGA,P-62m,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Lu-Ni-Zr,36.0,A12B5C16D3_hP36_189_2fk_cg_agjk_f:As-Lu-Ni-Zr +mp-1113552,Rb2HgSbBr6,-2.961755116,-1.390563143,0.0570586712,0.0570586712,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Sb +mp-1229209,Ag6HgGeSe6,-3.4030637971,-0.3389557181,0.0272482489,0.0272482489,GGA,Pmn2_1,A6BCD6_oP28_31_2a2b_a_a_4ab:Ag-Ge-Hg-Se,28.0,A6BCD6_oP28_31_2a2b_a_a_4ab:Ag-Ge-Hg-Se +mp-1112630,Cs2ScHgBr6,-3.597528219,-1.8230157996,0.0916889286,0.0916889286,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Sc +mp-1223857,In3GaTe4,-3.4751732412000003,-0.493126893,0.0255320125,0.0255320125,GGA,I-42m,AB3C4_tI16_121_a_bc_i:Ga-In-Te,8.0,AB3C4_tI16_121_a_bc_i:Ga-In-Te +mp-3785,TlGaTe2,-3.4997793262,-0.5804415873000001,0.0,-0.0543797248,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Ga-Te-Tl,8.0,AB2C_tI16_140_b_h_a:Ga-Te-Tl +mp-1216591,TlIn2GaTe4,-3.4666995337,-0.5332832584,0.02279154,0.02279154,GGA,I222,AB2C4D_oI16_23_a_bc_k_d:Ga-In-Te-Tl,8.0,AB2C4D_oI16_23_a_bc_k_d:Ga-In-Te-Tl +mp-20408,InGaTe2,-3.5191907312,-0.5025928465,0.0348763813,0.0348763813,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Ga-In-Te,8.0,ABC2_tI16_140_b_a_h:Ga-In-Te +mp-1105941,Ba3InSe4Cl,-4.6867445867,-1.9822122399,0.0347216787,0.0347216787,GGA,I4/mcm,A3BCD4_tI36_140_ah_c_b_l:Ba-Cl-In-Se,18.0,A3BCD4_tI36_140_ah_c_b_l:Ba-Cl-In-Se +mp-1096112,Hf2CoCu,-4.646626865,3.1338487663,3.4204121424,3.4204121424,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cu-Hf,4.0,ABC2_oI8_71_a_b_e:Co-Cu-Hf +mp-1184620,Hf2CoCu,-8.02906433,-0.2485886987,0.0379746774,0.0379746774,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Cu-Hf,4.0,ABC2_cF16_225_a_b_c:Co-Cu-Hf +mp-20730,HfCo2Sn,-7.453526615,-0.4076774963,0.0,-0.0722574355,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Sn,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Sn +mp-1080733,HfCoSn,-7.2833132744,-0.2582870478,0.1800077994,0.1354089439,GGA,P-62m,ABC_hP9_189_f_g_bc:Co-Hf-Sn,9.0,ABC_hP9_189_f_g_bc:Co-Hf-Sn +mp-22315,HfCoSn,-7.463321073899999,-0.4382948472,0.0,-0.0445988556,GGA,P-62c,ABC_hP18_190_bf_h_g:Co-Hf-Sn,18.0,"Invalid WP multiplicities - ABC_hP18_190_b2f_h_g:Co-Hf-Sn, expected Hf3Co5Sn3 to be HfCoSn" +mp-1224607,Hf10CuSn7,-7.7163360167,-0.3975526858,0.0,-0.0090934014,GGA,P-31m,AB10C7_hP18_162_a_cdk_bk:Cu-Hf-Sn,18.0,AB10C7_hP18_162_a_cdk_bk:Cu-Hf-Sn +mp-1224059,Hf2CoCuSn2,-6.90411509,-0.3806073842,0.0,-0.0268944147,GGA,P3m1,ABC2D2_hP6_156_a_b_2c_ab:Co-Cu-Hf-Sn,6.0,ABC2D2_hP6_156_a_b_2c_ab:Co-Cu-Hf-Sn +mp-31469,Hf5CuSn3,-7.7025820394,-0.3788189967,0.0,-0.0140626759,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-Hf-Sn,18.0,AB5C3_hP18_193_b_dg_g:Cu-Hf-Sn +mp-1212526,Hf5CoSn3,-8.0578715556,-0.3997628322,0.0,-0.0041819313,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Co-Hf-Sn,18.0,AB5C3_hP18_193_b_dg_g:Co-Hf-Sn +mp-1018713,HfCuSn,-6.2911202767,-0.2691310917,0.0,-0.0186958067,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Hf-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Hf-Sn +mp-570321,InSb2Se4Br,-4.0384608031,-0.7201657468,0.0009088218,0.0009088218,GGA,C2/m,ABC2D4_mC32_12_i_i_2i_4i:Br-In-Sb-Se,16.0,"Invalid WP multiplicities - ABC2D4_mC32_12_i_i_2i_7i:Br-In-Sb-Se, expected InSb2Se7Br to be InSb2Se4Br" +mp-1216847,Tl2FeCu3Se4,-4.380952243,-0.4332949006,0.0098405179,0.0098405179,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Cu-Fe-Se-Tl,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Cu-Fe-Se-Tl, expected Tl2FeCu3Se8 to be Tl2FeCu3Se4" +mp-1216642,TlFeCuSe2,-4.76698271,-0.3822439136,0.0640445175,0.0640445175,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Cu-Fe-Se-Tl,5.0,ABC2D_tI10_119_a_b_f_c:Cu-Fe-Se-Tl +mp-18010,Ta2Pd3Se8,-6.0860270996,-0.9150661372,0.0,-0.0447662631,GGA,Pbam,A3B8C2_oP26_55_ag_2g2h_h:Pd-Se-Ta,26.0,"Invalid WP multiplicities - A3B8C2_oP26_55_ag_3g2h_h:Pd-Se-Ta, expected Ta2Pd3Se10 to be Ta2Pd3Se8" +mp-12464,Co(PdSe)2,-5.358978741,-0.4669978669,0.0,-0.0102437932,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Pd-Se,10.0,AB2C2_oI20_72_a_j_j:Co-Pd-Se +mp-505133,Ta4Co2PdSe12,-6.7216815063,-0.9964938404,0.0,-0.0529038788,GGA,C2/m,A2BC12D4_mC38_12_i_a_6i_2i:Co-Pd-Se-Ta,19.0,A2BC12D4_mC38_12_i_a_6i_2i:Co-Pd-Se-Ta +mp-8436,Ta2PdSe6,-6.5490671167,-1.007855346,0.0,-0.0169976344,GGA,C2/m,AB6C2_mC18_12_a_3i_i:Pd-Se-Ta,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_4i_i:Pd-Se-Ta, expected Ta2PdSe8 to be Ta2PdSe6" +mp-1221740,MnAlNi6,-6.20508294,-0.2565315397,0.0183240637,0.0183240637,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Al-Mn-Ni,8.0,ABC6_tP8_123_a_b_cdi:Al-Mn-Ni +mp-30179,Mn6Al31Ni2,-4.9017730027,-0.2185623401,0.0361808204,0.0361808204,GGA,Cmcm,A31B6C2_oC156_63_3c4f2g4h_2c2f_g:Al-Mn-Ni,78.0,A31B6C2_oC156_63_3c4f2g4h_2c2f_g:Al-Mn-Ni +mp-1222879,LaMnNi4,-6.421189275,-0.2180944222,0.0334783562,0.0334783562,GGA,P-6m2,ABC4_hP6_187_a_c_ek:La-Mn-Ni,6.0,ABC4_hP6_187_a_c_ek:La-Mn-Ni +mp-1221656,MnAl2Ni,-6.0763351025,-0.4680091945,0.0,-0.002446325,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Mn-Ni,4.0,A2BC_tP4_123_h_a_b:Al-Mn-Ni +mp-1222882,LaMnAlNi3,-6.21988139,-0.3558800122,0.0420251822,0.0420251822,GGA,P-6m2,ABCD3_hP6_187_a_c_e_k:Al-La-Mn-Ni,6.0,ABCD3_hP6_187_a_c_e_k:Al-La-Mn-Ni +mp-4922,MnAlNi2,-6.5213355325,-0.404369412,0.0,-0.0128997614,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mn-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Mn-Ni +mp-16857,LaMn3Ni2,-7.34889656,-0.0185088365,0.1527848855,0.1527848855,GGA,P6/mmm,AB3C2_hP18_191_ad_fk_l:La-Mn-Ni,18.0,AB3C2_hP18_191_ad_fk_l:La-Mn-Ni +mp-1025065,LaMn2Ni3,-6.9279721067,-0.1612308185,0.0557216999,0.0557216999,GGA,P6/mmm,AB2C3_hP6_191_a_c_g:La-Mn-Ni,6.0,AB2C3_hP6_191_a_c_g:La-Mn-Ni +mp-570450,Tm3Mn3Ga2Si,-6.1902209333,-0.3685473532,0.0898273127,0.0898273127,GGA,P-62m,A2B3CD3_hP9_189_c_f_b_g:Ga-Mn-Si-Tm,9.0,A2B3CD3_hP9_189_c_f_b_g:Ga-Mn-Si-Tm +mp-1207007,Tm(MnSi)2,-7.335033628,-0.6049332145,0.0,-0.0729206248,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-Tm +mp-1207683,TmMnSi,-6.8696287492,-0.5152391674,0.0306060369,0.0306060369,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Si-Tm,12.0,ABC_oP12_62_c_c_c:Mn-Si-Tm +mp-505330,Tm2Mn3Si5,-6.9496692845,-0.5932385972,0.0,-0.0198212008,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Tm,40.0,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Tm +mp-1025424,TmMnSi2,-6.5531250613,-0.4310033674,0.1937098504,0.1937098504,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Mn-Si-Tm,8.0,AB2C_oC16_63_c_2c_c:Mn-Si-Tm +mp-1068250,Ca(FeSi)2,-6.378778188,-0.419522516,0.0096149964,0.0096149964,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Fe-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Fe-Si +mp-1069956,Ca(SiRh)2,-6.461139384,-0.944169048,0.0,-0.2485143285,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Rh-Si +mp-1227116,CaFeSi2Rh,-6.411592678,-0.6734796740000001,0.0131736062,0.0131736062,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ca-Fe-Rh-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ca-Fe-Rh-Si +mp-1224891,Ga3Cu3SiSe8,-4.36551005,-0.7138755214,0.010349478,0.010349478,GGA,P-4,A3B3C8D_tP15_81_ag_cg_2h_b:Cu-Ga-Se-Si,15.0,"Invalid WP multiplicities - A3B3C8D_tP15_81_ag_cg_7h_b:Cu-Ga-Se-Si, expected Ga3Cu3SiSe28 to be Ga3Cu3SiSe8" +mp-22830,DySi3Rh5,-7.3732133013,-0.9616266035,0.0,-0.043130306,GGA,P6_3/m,AB5C3_hP54_176_h_5h_3h:Dy-Rh-Si,54.0,"Invalid WP multiplicities - AB5C3_hP54_176_h_8h_4h:Dy-Rh-Si, expected Dy(SiRh2)4 to be DySi3Rh5" +mp-1212831,DySiRh,-6.8242106025,-1.0254063558,0.0,-0.0302787275,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Rh-Si,12.0,ABC_oP12_62_c_c_c:Dy-Rh-Si +mp-1213253,DyCo5Si3,-6.8608350235,-0.5914650341000001,0.0,-0.0013062977,GGA,P6_3/m,A5BC3_hP54_176_5h_h_3h:Co-Dy-Si,54.0,A5BC3_hP54_176_5h_h_3h:Co-Dy-Si +mp-8742,DyCoSi2,-6.3932765613,-0.7518413875000001,0.0,-0.0031893542,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Dy-Si,8.0,ABC2_oC16_63_c_c_2c:Co-Dy-Si +mp-30621,DySi2Rh3,-7.2778872767,-1.0194961917,0.0,-0.0097612469,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:Dy-Rh-Si,6.0,AB3C2_hP6_191_a_g_c:Dy-Rh-Si +mp-5976,Dy(CoSi)2,-6.736955828,-0.8021441300000001,0.0,-0.1252162239,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Dy-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Dy-Si +mp-1188825,Dy2Si5Rh3,-6.8164288365,-0.9731200925,0.0,-0.0391352532,GGA,C2/c,A2B3C5_mC40_15_f_ef_3ef:Dy-Rh-Si,20.0,A2B3C5_mC40_15_f_ef_3ef:Dy-Rh-Si +mp-14245,Dy2Si5Rh3,-6.814517613,-0.971208869,0.0019112235,-0.0372240297,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Dy-Rh-Si,20.0,"Invalid WP multiplicities - A2B3C5_oI40_72_j_2a2j_b2fj:Dy-Rh-Si, expected Dy2Si7Rh6 to be Dy2Si5Rh3" +mp-1225286,DyCoSi2Rh,-6.91327056,-0.927260847,0.034005364,0.034005364,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Co-Dy-Rh-Si,5.0,ABCD2_tI10_119_a_c_b_f:Co-Dy-Rh-Si +mp-31093,Dy2CoSi2,-6.16899552,-0.734490013,0.007826556,0.007826556,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Dy-Si,10.0,AB2C2_mC20_12_i_2i_2i:Co-Dy-Si +mp-2893,Dy(SiRh)2,-7.15759602,-1.120388292,0.0,-0.1187333203,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Rh-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Rh-Si +mp-15898,Dy2Co3Si5,-6.5063576,-0.7398458785,0.0,-0.0222938448,GGA,C2/c,A3B2C5_mC40_15_ef_f_3ef:Co-Dy-Si,20.0,"Invalid WP multiplicities - A3B2C5_mC40_15_2e2f_f_3ef:Co-Dy-Si, expected Dy2Co6Si5 to be Dy2Co3Si5" +mp-1188881,Dy2Co3Si5,-6.5000327685,-0.7335210470000001,0.0063248315,-0.0159690133,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Co-Dy-Si,20.0,A3B2C5_oI40_72_aj_j_bfj:Co-Dy-Si +mp-1191528,Dy2Si3Rh,-6.41093583,-0.9352965567,0.0,-0.0423708131,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Dy-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Dy-Rh-Si +mp-1213129,Dy2Si3Rh,-6.4045272029,-0.9288879296,0.0064086271,-0.035962186,GGA,P6_3/mmc,A2BC3_hP24_194_bh_f_k:Dy-Rh-Si,24.0,A2BC3_hP24_194_bh_f_k:Dy-Rh-Si +mp-1212856,Dy3Co2Si3,-6.2540847956,-0.7149660206,0.0126389512,0.0126389512,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Dy-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Dy-Si +mp-19767,DyCoSi,-6.4137331483,-0.7002589267,0.0,-0.0169685396,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Dy-Si,12.0,ABC_oP12_62_c_c_c:Co-Dy-Si +mp-1226517,CeSiGeRh2,-7.105438616,-0.96342846,0.0,-0.004026306,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Ce-Ge-Rh-Si,5.0,ABC2D_tI10_107_a_a_b_a:Ce-Ge-Rh-Si +mp-1217402,TbZnSi,-4.3877074867,-0.6145649067,0.0,-0.0553527126,GGA,P-6m2,ABC_hP3_187_a_d_e:Si-Tb-Zn,3.0,ABC_hP3_187_a_d_e:Si-Tb-Zn +mp-1217688,Tb2ZnCuSi2,-4.86529357,-0.6189071467,0.010699335,0.010699335,GGA,Pmm2,AB2C2D_oP6_25_a_ab_cd_b:Cu-Si-Tb-Zn,6.0,AB2C2D_oP6_25_a_ab_cd_b:Cu-Si-Tb-Zn +mp-11631,Dy2Al6Si4Au,-4.7470007031,-0.3883712585,0.0,-0.0060605,GGA,R-3m,A6BC2D4_hR39_166_3c_a_c_2c:Al-Au-Dy-Si,13.0,"Invalid WP multiplicities - A6BC2D4_hR39_166_4c_a_c_3c:Al-Au-Dy-Si, expected Dy2Al8Si6Au to be Dy2Al6Si4Au" +mp-16623,DyAl7Au3,-4.2060529473,-0.5108289791,0.0,-0.0359926785,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Dy,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Dy, expected DyAl13Au3 to be DyAl7Au3" +mp-1102191,DyAlAu,-4.6700705208,-0.7946556308,0.0,-0.1019904327,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Dy,12.0,ABC_oP12_62_c_c_c:Al-Au-Dy +mp-2954,Dy(SiAu)2,-4.9244188,-0.52338142,0.0,-0.002680248,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Au-Dy-Si,5.0,A2BC2_tI10_139_d_a_e:Au-Dy-Si +mp-1213389,CsLu(TaBr3)6,-5.5681559415,-1.5482509949,0.0,-0.016184576,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Lu-Ta,52.0,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Lu-Ta +mp-1110742,Rb2NaCeBr6,-3.999318748,-2.1458334907,0.029736421,0.029736421,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Na-Rb +mp-1105573,Ba2GdGaTe5,-5.6098343161,-1.5366456929,0.0112126314,0.0112126314,GGA,P-1,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Gd-Te,18.0,A2BCD5_aP18_2_2i_i_i_5i:Ba-Ga-Gd-Te +mp-1111727,Rb2LaAgCl6,-4.270957345,-2.1888722237,0.0436490282,0.0436490282,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-La-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-La-Rb +mp-1113979,Rb2LiGdCl6,-5.359862577,-2.4561292558,0.0086860615,0.0086860615,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-Li-Rb +mp-1213700,CsCaTa6Cl18,-6.0296992531,-1.9019558718,0.0,-0.0016382434,GGA,P-31c,AB18CD6_hP52_163_c_3i_d_i:Ca-Cl-Cs-Ta,52.0,AB18CD6_hP52_163_c_3i_d_i:Ca-Cl-Cs-Ta +mp-568670,Cs2NaTbCl6,-4.385126855,-2.5012352452,0.0,-0.0481137758,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Tb +mp-1111865,Cs2LiBiBr6,-3.427610573,-1.7417719009,0.010666209,0.010666209,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-Li +mp-1113232,Cs2AgMoCl6,-4.279671353,-1.6236482713,0.0434381183,0.0434381183,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Mo +mp-12492,CsLuCdTe3,-3.8826264417,-1.254433053,0.0,-0.0426639392,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-Lu-Te,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_c2f:Cd-Cs-Lu-Te, expected CsLuCdTe5 to be CsLuCdTe3" +mp-1110565,Cs2NaAuBr6,-2.986521713,-1.4159835112,0.0971595876,0.0971595876,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Na +mp-1179138,SrCu3NiSe4,-4.3579681111,-0.6078685496,0.2015215408,0.2015215408,GGA,P-43m,A3BC4D_cP9_215_c_b_e_a:Cu-Ni-Se-Sr,9.0,A3BC4D_cP9_215_c_b_e_a:Cu-Ni-Se-Sr +mp-12491,CsLaCdTe3,-4.0717858042,-1.374416318,0.0,-0.0530713297,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-La-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Cd-Cs-La-Te +mp-674329,La2CdTe4,-4.7394037429,-1.4010998081,0.1168561927,0.1168561927,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-La-Te,14.0,AB2C4_tI28_122_a_d_e:Cd-La-Te +mp-1227025,Cd2InCuTe4,-3.2230795288,-0.5643428421000001,0.0108807781,0.0108807781,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-In-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cd-Cu-In-Te +mp-1226268,Cs(Nb3Te4)2,-6.4967473173,-0.7201020001,0.0084977468,0.0084977468,GGA,P-3,AB6C8_hP15_147_a_g_dg:Cs-Nb-Te,15.0,AB6C8_hP15_147_a_g_dg:Cs-Nb-Te +mp-505321,CsNb(CuTe2)2,-4.6755817656000005,-0.7045387249,0.0,-0.0469709634,GGA,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:Cs-Cu-Nb-Te,32.0,AB2CD4_oP32_33_a_2a_a_4a:Cs-Cu-Nb-Te +mp-1102129,Na2YbCdSb2,-2.8881160808,-0.6605242297,0.0,-0.043283624,GGA,Pmc2_1,AB2C2D_oP12_26_a_ab_ab_b:Cd-Na-Sb-Yb,,AB2C2D_oP12_26_a_ab_ab_b:Cd-Na-Sb-Yb +mp-13459,NaCdSb,-2.5135824025,-0.3887769714,0.0,-0.1095253137,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Na-Sb,12.0,ABC_oP12_62_c_c_c:Cd-Na-Sb +mp-1205220,In2Sb4Pb4Se13,-4.2518432724,-0.6728515372,0.0127923741,0.0127923741,GGA,Pbam,A2B4C4D13_oP92_55_acg_4h_2g2h_8g5h:In-Pb-Sb-Se,92.0,A2B4C4D13_oP92_55_acg_4h_2g2h_8g5h:In-Pb-Sb-Se +mp-1223014,LaCeNiPt,-6.39156796,-0.711476395,0.0369265813,0.0369265813,GGA,Amm2,ABCD_oC8_38_a_b_a_b:Ce-La-Ni-Pt,4.0,ABCD_oC8_38_a_b_a_b:Ce-La-Ni-Pt +mp-1222871,LaNi4Pt,-6.1405301817,-0.4525823242,0.0,-0.042708515,GGA,Cmmm,AB4C_oC12_65_a_fg_c:La-Ni-Pt,6.0,AB4C_oC12_65_a_fg_c:La-Ni-Pt +mp-1223202,La2NiPt,-6.1819926725,-0.75117162,0.0039182113,0.0039182113,GGA,Amm2,A2BC_oC8_38_ab_a_b:La-Ni-Pt,4.0,A2BC_oC8_38_ab_a_b:La-Ni-Pt +mp-1221332,MnNiSnPd,-6.28330386,-0.2504024507,0.0540437018,0.0540437018,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Mn-Ni-Pd-Sn,4.0,ABCD_cF16_216_a_c_d_b:Mn-Ni-Pd-Sn +mp-1188122,Ba2ErInSe5,-5.0580455011,-1.8761666335,0.0084650222,0.0084650222,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-In-Se,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-In-Se +mp-1194941,Hg4BiSe2Cl5,-2.7150478679,-0.9409047975,0.0,-0.0409583158,GGA,P2_1/c,AB5C4D2_mP48_14_e_5e_4e_2e:Bi-Cl-Hg-Se,48.0,AB5C4D2_mP48_14_e_5e_4e_2e:Bi-Cl-Hg-Se +mp-1182239,BaCu3NiSe4,-4.3735348611,-0.5979373566,0.2082177942,0.2082177942,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Ni-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Ba-Cu-Ni-Se +mp-1219595,RbHgSbTe3,-3.0761156967,-0.6022601371,0.0,-0.0010046943,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Hg-Rb-Sb-Te,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Hg-Rb-Sb-Te, expected RbHgSbTe4 to be RbHgSbTe3" +mp-1217497,TbNd(NiGe2)2,-5.6599268225,-0.7280645334,0.0,-3.49481e-05,GGA,Amm2,A4BC2D_oC16_38_2a2b_a_ab_b:Ge-Nd-Ni-Tb,8.0,A4BC2D_oC16_38_2a2b_a_ab_b:Ge-Nd-Ni-Tb +mp-1187358,TbNd3,-4.705743325,0.0289587744,0.0289587744,0.0289587744,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Tb,8.0,A3B_hP8_194_h_c:Nd-Tb +mp-1187356,TbNd,-4.6715304,0.0297263663,0.0297263663,0.0297263663,GGA,P-6m2,AB_hP2_187_a_d:Nd-Tb,2.0,AB_hP2_187_a_d:Nd-Tb +mp-1187295,Tb3Nd,-4.647744375,0.0200670581,0.0200670581,0.0200670581,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Tb,4.0,AB3_tI8_139_a_bd:Nd-Tb +mp-978008,Tb3Nd,-4.6438380488,0.0239733844,0.0239733844,0.0239733844,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Tb,8.0,AB3_hP8_194_c_h:Nd-Tb +mp-31207,Zr5GaSn3,-7.079542045,-0.6578404075000001,0.0,-0.0625735396,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ga-Sn-Zr,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_2d3g:Ga-Sn-Zr, expected Zr13GaSn3 to be Zr5GaSn3" +mp-1191025,Zr3(MnGa3)2,-6.1171868377,-0.4684860551,0.0,-0.0037155824,GGA,Pmmn,A6B2C3_oP22_59_abef_c_ae:Ga-Mn-Zr,22.0,A6B2C3_oP22_59_abef_c_ae:Ga-Mn-Zr +mp-1215316,ZrMn6GaSn5,-6.7968932192,-0.1356818592,0.0,-0.0094523641,GGA,P-6m2,AB6C5D_hP13_187_a_n_bcdi_e:Ga-Mn-Sn-Zr,13.0,AB6C5D_hP13_187_a_n_bcdi_e:Ga-Mn-Sn-Zr +mp-768613,Zr(MnSn)6,-6.8434288562,-0.1067193552,0.0,-0.0082891802,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Mn-Sn-Zr,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_2c2de_a:Mn-Sn-Zr, expected Zr(Mn3Sn5)2 to be Zr(MnSn)6" +mp-1216500,Zr2Mn12GaSn11,-6.8113388015,-0.1123783711,0.0088222362,0.0088222362,GGA,P-6m2,AB12C11D2_hP26_187_a_2n_bcdgh2i_ef:Ga-Mn-Sn-Zr,26.0,"Invalid WP multiplicities - AB12C11D2_hP26_187_a_12n_bcdgh4i_ef:Ga-Mn-Sn-Zr, expected Zr2Mn72GaSn15 to be Zr2Mn12GaSn11" +mp-1216045,ZrMnGa,-7.2699675717,-0.3573635901,0.0602433157,0.0602433157,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ga-Mn-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ga-Mn-Zr, expected Zr3(MnGa)2 to be ZrMnGa" +mp-1215332,ZrMn6(GaSn2)2,-6.6662040577,-0.0804908387,0.0717480152,0.0717480152,GGA,P6/mmm,A2B6C4D_hP13_191_e_i_cd_a:Ga-Mn-Sn-Zr,13.0,A2B6C4D_hP13_191_e_i_cd_a:Ga-Mn-Sn-Zr +mp-1215391,ZrMn6(GaSn2)2,-6.7005373177,-0.1148240987,0.0374147552,0.0374147552,GGA,P6/mmm,A2B6C4D_hP13_191_d_i_ce_a:Ga-Mn-Sn-Zr,13.0,A2B6C4D_hP13_191_d_i_ce_a:Ga-Mn-Sn-Zr +mp-605912,Al2NiCl8,-4.2596867973,-1.7088157409,0.0035874736,0.0035874736,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-Ni,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_14f_e:Al-Cl-Ni, expected Al2NiCl28 to be Al2NiCl8" +mp-568785,NaAl3NiCl12,-4.223956305,-1.8403192824,0.0,-0.0024404479,GGA,P2_1/c,A3B12CD_mP68_14_3e_12e_e_e:Al-Cl-Na-Ni,68.0,"Invalid WP multiplicities - A3B12CD_mP68_14_10e_46e_e_e:Al-Cl-Na-Ni, expected NaAl10NiCl46 to be NaAl3NiCl12" +mp-1018024,MnFeCoGe,-7.52011879,-0.179273252,0.0070683463,0.0070683463,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-Mn,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-Mn +mp-571169,InBi2Se4Br,-4.045932245,-0.7997652162000001,0.0177045243,0.0177045243,GGA,C2/m,A2BCD4_mC32_12_2i_i_i_4i:Bi-Br-In-Se,16.0,"Invalid WP multiplicities - A2BCD4_mC32_12_2i_i_i_7i:Bi-Br-In-Se, expected InBi2Se7Br to be InBi2Se4Br" +mp-9344,TiTlCuTe3,-4.6403244642,-0.6757812119000001,0.0,-0.0099674701,GGA,P2_1/m,AB3CD_mP12_11_e_3e_e_e:Cu-Te-Ti-Tl,12.0,AB3CD_mP12_11_e_3e_e_e:Cu-Te-Ti-Tl +mp-1068447,BaGe3Pd,-4.76390768,-0.570319617,0.0,-0.0676994473,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Ge-Pd,5.0,AB3C_tI10_107_a_ab_a:Ba-Ge-Pd +mp-1228873,Ba8Ge43Pd3,-4.5326345141,-0.2792707601,0.0264448274,0.0264448274,GGA,R32,A8B43C3_hR162_155_cde_2cd6f_e:Ba-Ge-Pd,54.0,"Invalid WP multiplicities - A8B43C3_hR162_155_cde_4cd27f_e:Ba-Ge-Pd, expected Ba8Ge173Pd3 to be Ba8Ge43Pd3" +mp-1191488,Ba2Ge4Pd5,-5.0618187205,-0.6773214159000001,0.0,-0.1135601061,GGA,Cmce,A2B4C5_oC44_64_f_g_a2e:Ba-Ge-Pd,22.0,A2B4C5_oC44_64_f_g_a2e:Ba-Ge-Pd +mp-1229324,Ba16Zn9Ge80Pd3,-4.2663368665,-0.308714965,0.0,-0.0237508445,GGA,Pm,A16B80C3D9_mP108_6_6a6b2c_8a8b32c_2ab_2a3b2c:Ba-Ge-Pd-Zn,108.0,"Invalid WP multiplicities - A16B80C3D9_mP108_6_6a6b4c_8a8b64c_2ab_2a3b4c:Ba-Ge-Pd-Zn, expected Ba20Zn13(Ge48Pd)3 to be Ba16Zn9Ge80Pd3" +mp-1096110,Ba2ZnPd,-1.58331699,0.986076835,1.3433418321,1.3433418321,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Pd-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Pd-Zn +mp-30170,Ba4Ge20Pd3,-4.6247336983,-0.3404336135,0.0353280068,0.0353280068,GGA,Pm-3n,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Pd,54.0,A4B20C3_cP54_223_ac_ik_d:Ba-Ge-Pd +mp-1221642,MnAl2Co,-6.3771011825,-0.4367299957,0.00515114,0.00515114,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Co-Mn,4.0,A2BC_tP4_123_h_a_b:Al-Co-Mn +mp-13079,Mn2AlCo,-7.5733862075,-0.2789051552,0.0268331085,0.0268331085,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Co-Mn,4.0,ABC2_cF16_216_a_c_bd:Al-Co-Mn +mp-1221672,MnAl12Fe,-4.6583223893,-0.188397642,0.0,-9.86252e-05,GGA,Amm2,A12BC_oC28_38_2cdef_a_b:Al-Fe-Mn,14.0,"Invalid WP multiplicities - A12BC_oC28_38_4c2def_a_b:Al-Fe-Mn, expected MnAl18Fe to be MnAl12Fe" +mp-1093629,MnAl2Fe,-3.9052745625,2.375522478,2.6751088575,2.6751088575,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Fe-Mn,4.0,A2BC_oI8_71_e_a_b:Al-Fe-Mn +mp-3623,MnAlCo2,-7.150253015,-0.369196337,0.0,-0.0505293325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Mn,4.0,AB2C_cF16_225_a_c_b:Al-Co-Mn +mp-1221620,MnAlFe2,-7.59567419,-0.1337658045,0.0569046999999999,0.0474025368,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Fe-Mn,4.0,AB2C_cF16_216_a_bc_d:Al-Fe-Mn +mp-31185,MnAlFe2,-7.65257889,-0.1906705045,0.0,-0.0095021632,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Mn,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Mn +mp-1221633,MnAlFeCo,-7.376125395,-0.2546428632,0.0510954005,0.0510954005,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-Mn,4.0,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-Mn +mp-571468,Ho3CuSiSe7,-5.54804969,-1.5694553855,0.0068252219,0.0068252219,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Ho-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b9c_b:Cu-Ho-Se-Si, expected Ho3CuSiSe29 to be Ho3CuSiSe7" +mp-571268,CuHg3As2Br3,-2.5797065683,-0.4699766167,0.0193911267,0.0193911267,GGA,C2/c,A2B3CD3_mC108_15_3f_c4f_ef_abe3f:As-Br-Cu-Hg,54.0,"Invalid WP multiplicities - A2B3CD3_mC108_15_8f_2c13f_ef_2ab2e11f:As-Br-Cu-Hg, expected Cu3Hg27(As4Br7)4 to be CuHg3As2Br3" +mp-1113490,Cs2CuAuCl6,-3.419078693,-1.3935673556,0.0581145032,0.0581145032,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Cu,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Cu +mp-1112958,Cs2DyCuCl6,-4.321609566,-2.1628077446,0.039144087,0.039144087,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Dy,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Dy +mp-1224737,Fe2CuNiPt4,-6.557551615,-0.1695617338,0.0326745937,0.0326745937,GGA,P4mm,AB2CD4_tP8_99_a_2a_a_4b:Cu-Fe-Ni-Pt,8.0,AB2CD4_tP8_99_a_2a_a_4b:Cu-Fe-Ni-Pt +mp-1224947,FeNiPt6,-6.4708274375,-0.1362077112,0.0,-0.01765197,GGA,P4/mmm,ABC6_tP8_123_a_b_cdi:Fe-Ni-Pt,8.0,ABC6_tP8_123_a_b_cdi:Fe-Ni-Pt +mp-3702,FeCuPt2,-6.35516591,-0.17729228,0.01835554,0.01835554,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Cu-Fe-Pt,4.0,ABC2_tP4_123_a_c_e:Cu-Fe-Pt +mp-1224981,FeCuPt2,-6.3587782775,-0.1809046475,0.0147431725,0.0147431725,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Cu-Fe-Pt,4.0,ABC2_tP4_123_a_b_h:Cu-Fe-Pt +mp-1224927,Fe3Ni3Pt2,-7.0147569963,-0.1531644575,0.007713165,0.007713165,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Fe-Ni-Pt,8.0,A3B3C2_oP8_47_aj_bgh_k:Fe-Ni-Pt +mp-13463,FeNiPt2,-6.8069309675,-0.208824835,0.0,-0.0452689275,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Fe-Ni-Pt,4.0,ABC2_tP4_123_a_c_e:Fe-Ni-Pt +mp-1224968,FeNiPt2,-6.743666285,-0.1455601525,0.0632646825,0.017995755,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Fe-Ni-Pt,4.0,ABC2_tP4_123_a_b_h:Fe-Ni-Pt +mp-1112126,Cs2RbLaCl6,-4.3928518610000005,-2.5129952728,0.0328173242,0.0328173242,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-La-Rb +mp-1219625,Rb4SbRhCl12,-3.7881441106,-1.6993727039,0.0,-0.0375549233,GGA,P4/mmm,A12B4CD_tP18_123_ghjk_i_a_d:Cl-Rb-Rh-Sb,18.0,"Invalid WP multiplicities - A12B4CD_tP18_123_2g2h4j4k_i_a_d:Cl-Rb-Rh-Sb, expected Rb4SbRhCl40 to be Rb4SbRhCl12" +mp-580589,Cs2NaErCl6,-4.381706823,-2.5044799422,0.0,-0.0196435655,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-Na +mp-1113442,Cs2TlAgCl6,-3.390920668,-1.5831982826000002,0.0,-0.0173969495,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Tl +mp-1111738,Na2LiTlBr6,-2.972197038,-1.34871838,0.1240425468,0.1240425468,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Na-Tl +mp-1112670,Cs2LiTlBr6,-3.152427573,-1.6143734993,0.0305918783,0.0305918783,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Tl +mp-1111716,Rb2SbAuBr6,-3.19351136,-1.3252992235,0.077345171,0.077345171,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Sb +mp-1112524,Cs2RbAuBr6,-2.963455414,-1.4271163343,0.1228100846,0.1228100846,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Rb +mp-1111783,CsRb2AuBr6,-2.90683332,-1.3619810703000002,0.1817125505,0.1817125505,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Cs-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Cs-Rb +mp-1112609,Cs2InCuCl6,-3.667525352,-1.6942338416,0.0411481645,0.0411481645,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-In,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-In +mp-1213063,CsTbMnSe3,-5.766697735,-1.5701113688,0.0,-0.0859012794,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Tb,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Tb +mp-1221880,Mn2CuSb2Pd,-6.06907835,-0.0922247593,0.1474175007,0.1474175007,GGA,R3m,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Pd-Sb,6.0,AB2CD2_hR18_160_a_2a_a_2a:Cu-Mn-Pd-Sb +mp-1097593,CuSbPd2,-2.9489933325,1.69799955,2.0599935817,2.0599935817,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Pd-Sb,4.0,AB2C_oI8_71_a_e_b:Cu-Pd-Sb +mp-1215544,ZnCr4CdSe8,-5.75448881,-0.8429091621,0.0059458332,0.0059458332,GGA,F-43m,AB4C8D_cF56_216_a_e_2e_c:Cd-Cr-Se-Zn,14.0,AB4C8D_cF56_216_a_e_2e_c:Cd-Cr-Se-Zn +mp-1225906,DyMn6GaGe5,-6.9022199685,-0.3082112077,0.0001632381,0.0001632381,GGA,P-6m2,ABC5D6_hP13_187_e_b_acdi_n:Dy-Ga-Ge-Mn,13.0,ABC5D6_hP13_187_e_b_acdi_n:Dy-Ga-Ge-Mn +mp-1113321,Rb2InHgCl6,-3.269836801,-1.659071581,0.022442104,0.022442104,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Hg-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Hg-In-Rb +mp-1224103,In2CuTe3Br,-3.54128144,-0.6004928486000001,0.0683300168,0.0683300168,GGA,P1,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Te,7.0,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Te +mp-1403285,In2CuTe3Br,-1.94707707,0.9937115214,1.6625343868,1.6625343868,GGA,P1,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Te,7.0,ABC2D3_aP7_1_a_a_2a_3a:Br-Cu-In-Te +mp-14637,Cs2NbAgSe4,-4.7869533087,-1.1984143465,0.0,-0.1806128503,GGA,Fddd,AB2CD4_oF64_70_a_e_b_h:Ag-Cs-Nb-Se,16.0,AB2CD4_oF64_70_a_e_b_h:Ag-Cs-Nb-Se +mp-1114010,Rb2AlTlBr6,-3.416563871,-1.6778181608,0.075855293,0.075855293,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Rb-Tl +mp-505709,CsSmZnSe3,-4.5384141575,-1.6448363992,0.0,-0.0749536379,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Sm-Zn,12.0,"Invalid WP multiplicities - AB3CD_oC24_63_c_2c2f_a_c:Cs-Se-Sm-Zn, expected CsSmZnSe6 to be CsSmZnSe3" +mp-1114131,Rb2InSbBr6,-3.288807819,-1.4728155095,0.0646994044,0.0646994044,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Sb +mp-1178984,TlZnCu3Se4,-3.5716102556,-0.2489821803,0.2860207537,0.2860207537,GGA,P-43m,A3B4CD_cP9_215_c_e_b_a:Cu-Se-Tl-Zn,9.0,A3B4CD_cP9_215_c_e_b_a:Cu-Se-Tl-Zn +mp-20731,In2HgSe4,-3.5520380543,-0.7247960921000001,0.0,-0.0258427088,GGA,I-4,AB2C4_tI14_82_a_bc_g:Hg-In-Se,7.0,AB2C4_tI14_82_a_bc_g:Hg-In-Se +mp-1180995,InCu3HgSe4,-3.5235094678000003,-0.2638839105,0.2208785675,0.2208785675,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-In-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Hg-In-Se +mp-1228963,AlAgSnSe4,-4.2813779214,-0.7711851216000001,0.0,-0.0022737371,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Ag-Al-Se-Sn,7.0,ABC4D_tI14_82_a_c_g_b:Ag-Al-Se-Sn +mp-1101773,NdAlAu,-4.6685376367,-0.7393358825,0.0,-0.0330848921,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Nd,12.0,ABC_oP12_62_c_c_c:Al-Au-Nd +mp-10581,Nd(AlGe)2,-4.744662566,-0.4435916055,0.0,-0.028292969,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Nd,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Nd +mp-1179976,Nd2Al3Ge4,-4.8242355711,-0.4614429294,0.0191254107,0.0191254107,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Nd,18.0,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Nd +mp-1018826,NdGeAu,-5.052462935,-0.8307771725,0.0,-0.0971648236,GGA,P6_3mc,ABC_hP6_186_b_b_a:Au-Ge-Nd,6.0,ABC_hP6_186_b_b_a:Au-Ge-Nd +mp-1078947,Nd(AlAu)2,-4.5086234780000005,-0.7472108595,0.0,-0.1174351862,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Al-Au-Nd,10.0,A2B2C_tP10_129_ac_bc_c:Al-Au-Nd +mp-1206852,NdAlGe,-5.0634313633,-0.6845143242,0.0,-0.0635220283,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ge-Nd,6.0,ABC_tI12_109_a_a_a:Al-Ge-Nd +mp-1068797,Nd(GeAu)2,-4.656036124,-0.5436426955,0.0,-0.0108251666,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Au-Ge-Nd,5.0,A2B2C_tI10_139_d_e_a:Au-Ge-Nd +mp-1220330,Nd2Al3Ge,-4.81088931,-0.578214275,0.01500665,0.01500665,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Al-Ge-Nd,6.0,A3BC2_oP6_25_a2b_a_cd:Al-Ge-Nd +mp-1188429,Nd2AlGe6,-5.0083083972,-0.4505264167,0.0054194804,0.0054194804,GGA,C2/m,AB6C2_mC36_12_i_4ij_j:Al-Ge-Nd,18.0,AB6C2_mC36_12_i_4ij_j:Al-Ge-Nd +mp-16622,NdAl7Au3,-4.2294039,-0.5195107870000001,0.0,-0.0334069418,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Nd,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Nd, expected NdAl13Au3 to be NdAl7Au3" +mp-12018,NdAl4Ge2Au,-4.4782758075,-0.4444772497,0.0,-0.008586735,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Al-Au-Ge-Nd,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_4c_a_c_b:Al-Au-Ge-Nd, expected NdAl8Ge2Au to be NdAl4Ge2Au" +mp-624253,Nb4Co2PdSe12,-6.3532731921,-0.9978692294,0.0,-0.0447368365,GGA,C2/m,A2B4CD12_mC38_12_i_2i_a_6i:Co-Nb-Pd-Se,19.0,"Invalid WP multiplicities - A2B4CD12_mC38_12_i_2i_a_12i:Co-Nb-Pd-Se, expected Nb4Co2PdSe24 to be Nb4Co2PdSe12" +mp-504898,Nb2Pd3Se8,-5.8109094481,-0.910175038,0.0,-0.0513566097,GGA,Pbam,A2B3C8_oP26_55_h_ag_2g2h:Nb-Pd-Se,26.0,A2B3C8_oP26_55_h_ag_2g2h:Nb-Pd-Se +mp-1193368,Nb4CoSe8,-6.8881635092,-1.0819458341,0.0,-0.0121836129,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Co-Nb-Se,26.0,AB4C8_hP26_194_a_bh_fk:Co-Nb-Se +mp-1220592,Nb6Pd2Se15,-6.4223146717,-1.0568248446,0.0,-0.0016807036,GGA,P-1,A6B2C15_aP46_2_6i_bdi_15i:Nb-Pd-Se,46.0,"Invalid WP multiplicities - A6B2C15_aP46_2_10i_bdi_25i:Nb-Pd-Se, expected Nb10Pd2Se25 to be Nb6Pd2Se15" +mp-1186227,Nb3CoSe6,-6.882659771,-1.0438895929,0.0110075954,0.0110075954,GGA,P6_322,AB3C6_hP20_182_c_af_i:Co-Nb-Se,20.0,AB3C6_hP20_182_c_af_i:Co-Nb-Se +mp-1219264,ScTi(NiSn)2,-6.2032012817,-0.5686382497,0.014683135,0.014683135,GGA,R3m,A2BC2D_hR18_160_2a_a_2a_a:Ni-Sc-Sn-Ti,6.0,A2BC2D_hR18_160_2a_a_2a_a:Ni-Sc-Sn-Ti +mp-623646,TiNiSn,-5.76029857,0.1347682806,0.66419063,0.5403809686000001,GGA,F-43m,ABC_cF12_216_a_c_b:Ni-Sn-Ti,3.0,ABC_cF12_216_a_c_b:Ni-Sn-Ti +mp-22782,TiNiSn,-5.72427884,0.1707880106,0.70021036,0.5764006986,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Sn-Ti,3.0,ABC_cF12_216_a_b_c:Ni-Sn-Ti +mp-924130,TiNiSn,-6.4244892,-0.5294223494,0.0,-0.1238096614,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Ni-Sn-Ti +mp-1208243,Ti5NiSn3,-6.74756523,-0.3824194157,0.0161461578,0.0161461578,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Ni-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Ni-Sn-Ti +mp-1216749,TiNi2Sn,-6.19444608,-0.3281117721,0.1400236712,0.1400236712,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ni-Sn-Ti,4.0,A2BC_tP4_123_h_a_b:Ni-Sn-Ti +mp-3740,TiNi2Sn,-6.29861491,-0.4322806021,0.0358548412,0.0358548412,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Ni-Sn-Ti +mp-1219331,ScTi4(NiSn)5,-6.334498644,-0.5436333209,0.0073486427,0.0073486427,GGA,R3m,A5BC5D4_hR45_160_5a_a_5a_4a:Ni-Sc-Sn-Ti,15.0,A5BC5D4_hR45_160_5a_a_5a_4a:Ni-Sc-Sn-Ti +mp-568631,Lu3Mn3Ga2Si,-6.2167955733,-0.3800836276,0.0718272809,0.0718272809,GGA,P-62m,A2B3C3D_hP9_189_c_g_f_b:Ga-Lu-Mn-Si,9.0,A2B3C3D_hP9_189_c_g_f_b:Ga-Lu-Mn-Si +mp-1096520,LiSbPt2,-3.015505045,1.5295426417,2.0889810737,2.0889810737,GGA,Immm,AB2C_oI8_71_a_e_b:Li-Pt-Sb,4.0,AB2C_oI8_71_a_e_b:Li-Pt-Sb +mp-10184,MgSbPt,-4.6440847067,-0.71061317,0.0,-0.1169729296,GGA,F-43m,ABC_cF12_216_a_c_b:Mg-Pt-Sb,3.0,ABC_cF12_216_a_c_b:Mg-Pt-Sb +mp-571584,LiMgSbPt,-4.07818939,-0.6508550208,0.0496751554,0.0496751554,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Li-Mg-Pt-Sb,4.0,ABCD_cF16_216_a_c_b_d:Li-Mg-Pt-Sb +mp-3158,Li2SbPt,-4.18177912,-0.6772840467,0.0,-0.0576264431,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Pt-Sb,4.0,A2BC_cF16_216_ac_b_d:Li-Pt-Sb +mp-15819,Mn3Al9Si,-5.3951004058,-0.2703660691,0.0,-0.0197238779,GGA,P6_3/mmc,A9B3C_hP26_194_hk_h_a:Al-Mn-Si,26.0,"Invalid WP multiplicities - A9B3C_hP26_194_3h4k_h_a:Al-Mn-Si, expected Mn3Al33Si to be Mn3Al9Si" +mp-10676,Sc2AlSi2,-6.131278548,-0.679048528,0.0,-0.023446655,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Al-Sc-Si,10.0,AB2C2_tP10_127_a_h_g:Al-Sc-Si +mp-1194721,Sc3Mn3Al7Si5,-6.0452041839,-0.4991445088,0.0,-0.0373296108,GGA,P6_3/mmc,A7B3C3D5_hP36_194_bk_g_h_fh:Al-Mn-Sc-Si,36.0,A7B3C3D5_hP36_194_bk_g_h_fh:Al-Mn-Sc-Si +mp-31081,Sc(MnAl2)4,-5.9459689454,-0.3348045674,0.0,-0.0055446638,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Sc,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Sc +mp-1221843,Mn3(Al2Si)2,-6.2154899933,-0.2911582982,0.0398470779,0.0398470779,GGA,C2,A4B3C2_mC36_5_2a3c_ab2c_2bc:Al-Mn-Si,18.0,A4B3C2_mC36_5_2a3c_ab2c_2bc:Al-Mn-Si +mp-1111510,Na2CuBiCl6,-3.587435255,-1.4198386203,0.1232485245,0.1232485245,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-Na +mp-1113355,Cs2PrCuBr6,-3.890528061,-1.8916193461,0.0264526398,0.0264526398,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Pr +mp-1112619,Cs2AsAuCl6,-3.5347481,-1.4532455891,0.095265039,0.095265039,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-Cs,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-Cs +mp-1213418,CsHo(NbBr3)6,-5.1895097488,-1.572580848,0.0,-0.0198375581,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Ho-Nb,52.0,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-Ho-Nb +mp-1192709,Cs3Ho2Br9,-4.1508773246,-2.3060001942,0.0,-0.0919261682,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Br-Cs-Ho,28.0,A9B3C2_hR84_167_ef_e_c:Br-Cs-Ho +mp-1213175,Er7(AgTe)2,-4.6387777745,-0.6455272779,0.0,-0.0043479682,GGA,Imm2,A2B7C2_oI22_44_c_a3c_ab:Ag-Er-Te,11.0,A2B7C2_oI22_44_c_a3c_ab:Ag-Er-Te +mp-12902,ErAgTe2,-4.5324106812,-1.1106890312,0.0,-0.0096135425,GGA,P-42_1m,ABC2_tP8_113_a_c_e:Ag-Er-Te,8.0,ABC2_tP8_113_a_c_e:Ag-Er-Te +mp-1225547,ErAgTe2,-4.5102008475,-1.0884791975,0.0222098338,0.0125962913,GGA,P3m1,ABC2_hP4_156_a_b_ac:Ag-Er-Te,4.0,ABC2_hP4_156_a_b_ac:Ag-Er-Te +mp-1190252,CsEr2Ag3Te5,-4.1644197423,-1.0512345178,0.0,-0.0111827755,GGA,Cmcm,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Er-Te,22.0,A3BC2D5_oC44_63_cf_c_f_c2f:Ag-Cs-Er-Te +mp-1221808,Mn4Cr(Co2Sn)5,-6.9665315355,-0.0949242423,0.0125709261,0.0125709261,GGA,R-3m,A10BC4D5_hR60_166_5c_a_2c_b2c:Co-Cr-Mn-Sn,20.0,"Invalid WP multiplicities - A10BC4D5_hR60_166_10c_a_3c_b4c:Co-Cr-Mn-Sn, expected Mn6CrCo20Sn9 to be Mn4Cr(Co2Sn)5" +mp-1113523,Cs2LaCuCl6,-4.375121436,-2.1833975881,0.0525838739,0.0525838739,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-La,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-La +mp-1112927,Cs2DyAuCl6,-4.154807105,-2.0785377506,0.099784569,0.099784569,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Dy,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Dy +mp-1226967,Cd2SnGeAs4,-3.7479181525,-0.1085615463,0.0029088313,0.0029088313,GGA,I-4,A4B2CD_tI16_82_g_ac_b_d:As-Cd-Ge-Sn,8.0,A4B2CD_tI16_82_g_ac_b_d:As-Cd-Ge-Sn +mp-1206870,MnCu2GeTe4,-4.6327687662,-0.3131837587,0.0002246058,0.0002246058,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Mn-Te,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Mn-Te +mp-1113558,Cs2TlCuBr6,-3.147970105,-1.3908876509,0.0142662034,0.0142662034,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Tl +mp-1221630,MnCuNiSn,-5.81393855,-0.0512059257,0.0691120615,0.0691120615,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Cu-Mn-Ni-Sn,4.0,ABCD_cF16_216_a_c_b_d:Cu-Mn-Ni-Sn +mp-1181720,CrCu3PbSe4,-4.7906370311,-0.3854192022,0.1738106106,0.1738106106,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Pb-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Cr-Cu-Pb-Se +mp-1221751,MnFeSn4,-5.5923093900000005,0.0194112637,0.0203195745,0.0203195745,GGA,I422,ABC4_tI12_97_a_b_j:Fe-Mn-Sn,6.0,ABC4_tI12_97_a_b_j:Fe-Mn-Sn +mp-1225598,ErMn3(FeSn2)3,-6.3882784138,-0.1174123026,0.0225979566,0.0225979566,GGA,P6mm,AB3C3D6_hP13_183_a_c_c_2a2b:Er-Fe-Mn-Sn,13.0,AB3C3D6_hP13_183_a_c_c_2a2b:Er-Fe-Mn-Sn +mp-1225626,ErMn4(FeSn3)2,-6.4516673169,-0.1275708917,0.0113408942,0.0113408942,GGA,Cmm2,AB2C4D6_oC26_35_a_c_2bc_2a2d:Er-Fe-Mn-Sn,13.0,AB2C4D6_oC26_35_a_c_2bc_2a2d:Er-Fe-Mn-Sn +mp-1225462,ErMnFe,-7.4076081533,-0.007689716,0.0563721422,0.0563721422,GGA,Imma,ABC_oI12_74_e_a_c:Er-Fe-Mn,6.0,ABC_oI12_74_e_a_c:Er-Fe-Mn +mp-31197,Er(FeSn)6,-6.2544808487,-0.1433056794,0.0,-0.0124666506,GGA,Cmcm,AB6C6_oC104_63_2c_de2gh_8c2g:Er-Fe-Sn,52.0,AB6C6_oC104_63_2c_de2gh_8c2g:Er-Fe-Sn +mp-1225633,ErMn2(Fe2Sn3)2,-6.3361233546,-0.1184875574,0.0226211753,0.0226211753,GGA,Cmm2,AB4C2D6_oC26_35_a_2bc_c_2a2d:Er-Fe-Mn-Sn,13.0,AB4C2D6_oC26_35_a_2bc_c_2a2d:Er-Fe-Mn-Sn +mp-1094098,NaGaTe2,-3.4601416475,-0.8008333718,0.0,-0.0043426917,GGA,I-42d,ABC2_tI16_122_a_b_d:Ga-Na-Te,8.0,ABC2_tI16_122_a_b_d:Ga-Na-Te +mp-10164,NaGaTe2,-3.45386317,-0.7945548943,0.0062784775,0.0019357858,GGA,I4/mcm,ABC2_tI16_140_b_a_h:Ga-Na-Te,8.0,ABC2_tI16_140_b_a_h:Ga-Na-Te +mp-29462,NaGa3Te5,-3.6080453711,-0.7054517236000001,0.0,-0.0299656106,GGA,R32,A3BC5_hR108_155_2f_ae_cde2f:Ga-Na-Te,36.0,"Invalid WP multiplicities - A3BC5_hR108_155_2f_ae_cd2e2f:Ga-Na-Te, expected Na4Ga12Te23 to be NaGa3Te5" +mp-1221042,NaGa6AgTe10,-3.5942778136,-0.6077935711,0.0160504878,0.0160504878,GGA,C2,AB6CD10_mC72_5_c_6c_ab_ab9c:Ag-Ga-Na-Te,36.0,"Invalid WP multiplicities - AB6CD10_mC72_5_c_12c_ab_ab17c:Ag-Ga-Na-Te, expected NaGa12AgTe18 to be NaGa6AgTe10" +mp-669415,Ba3Bi6PbSe13,-4.5299937457,-1.1404565335,0.0,-0.0256656348,GGA,P2_1/m,A3B6CD13_mP46_11_3e_6e_e_13e:Ba-Bi-Pb-Se,46.0,"Invalid WP multiplicities - A3B6CD13_mP46_11_5e_11e_e_25e:Ba-Bi-Pb-Se, expected Ba5Bi11PbSe25 to be Ba3Bi6PbSe13" +mp-1114027,Rb2LiTlBr6,-3.132246272,-1.5771658582,0.0,-0.0298552051,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Tl +mp-510462,CsDyZnTe3,-4.0073629308,-1.3087211805,0.0,-0.1052648879,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Dy-Te-Zn,12.0,ABC3D_oC24_63_c_a_cf_c:Cs-Dy-Te-Zn +mp-1112902,Cs2HgSbCl6,-3.339817185,-1.6083465541000002,0.059082663,0.059082663,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Sb +mp-1112116,Cs2RbTlBr6,-3.087981516,-1.6427663217,0.0407374242,0.0407374242,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Tl +mp-1111830,CsRb2TlBr6,-3.027178307,-1.5734499426,0.0950353585,0.0950353585,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Tl +mp-1111667,Na2AlHgCl6,-3.346034119,-1.5674814448,0.265252749,0.265252749,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-Na +mp-1181585,CsHfCu3Se4,-4.8894698433,-0.7634856964000001,0.179372005,0.179372005,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Hf-Se,9.0,AB3CD4_cP9_215_a_c_b_e:Cs-Cu-Hf-Se +mp-1200567,Cs4Hf3Se14,-5.28012346,-1.3565073997,0.0,-0.0674249199,GGA,C2/c,A4B3C14_mC84_15_2f_ef_7f:Cs-Hf-Se,42.0,A4B3C14_mC84_15_2f_ef_7f:Cs-Hf-Se +mp-28283,CsTiCl3,-4.924500535,-2.0571996613,0.0095133158,0.0095133158,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Ti,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Ti +mp-27828,Cs2TiCl6,-4.5529433467,-2.2443303777,0.0,-0.0859202756,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Ti,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Ti +mp-569484,Cs3Ti2Cl9,-4.7224796961,-2.2143353325,0.0,-0.0368373536,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Ti,28.0,"Invalid WP multiplicities - A9B3C2_hP28_194_3h3k_2b3f_f:Cl-Cs-Ti, expected Cs8Ti2Cl27 to be Cs3Ti2Cl9" +mp-778180,CsTi(NbCl3)6,-5.7318635917,-1.7829257260000002,0.0176786876,0.0176786876,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Cl-Cs-Nb-Ti,52.0,"Invalid WP multiplicities - A18BC6D_hP52_163_25i_c_i_d:Cl-Cs-Nb-Ti, expected CsTi(NbCl25)6 to be CsTi(NbCl3)6" +mp-505663,CsTi2Cl7,-5.1056263245,-2.143012022,0.0,-0.004902413,GGA,P2_1/m,A7BC2_mP20_11_3e2f_e_f:Cl-Cs-Ti,20.0,A7BC2_mP20_11_3e2f_e_f:Cl-Cs-Ti +mp-1189107,CsTi2Cl7,-5.0810189535,-2.118404651,0.024607371,0.019704958,GGA,P2/c,A7BC2_mP20_13_e3g_f_g:Cl-Cs-Ti,20.0,A7BC2_mP20_13_e3g_f_g:Cl-Cs-Ti +mp-1222622,Li3Tb4ZnSn8,-4.0015605963,-0.4015261306,0.1522192809,0.1522192809,GGA,Pmm2,A3B8C4D_oP16_25_abc_2a2b2c2d_abcd_d:Li-Sn-Tb-Zn,16.0,A3B8C4D_oP16_25_abc_2a2b2c2d_abcd_d:Li-Sn-Tb-Zn +mp-13163,TbZnSn,-3.9048553725,-0.6036281842,0.0,-0.0653193876,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Sn-Tb-Zn,12.0,ABC_hP12_194_f_ab_f:Sn-Tb-Zn +mp-1188187,Li3(ZnSn2)2,-2.9523242089,-0.2540416267,0.0,-0.0343964109,GGA,P6_3/mmc,A3B4C2_hP18_194_cf_ef_f:Li-Sn-Zn,18.0,A3B4C2_hP18_194_cf_ef_f:Li-Sn-Zn +mp-1180557,LiTb5Sn3,-4.7032375006,-0.5799631748,0.0618675535,0.0618675535,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Li-Sn-Tb,18.0,AB3C5_hP18_193_b_g_dg:Li-Sn-Tb +mp-1078515,LiTbSn2,-4.0987650963,-0.4581569271,0.0994810073,0.0994810073,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Li-Sn-Tb,8.0,AB2C_oC16_63_c_2c_c:Li-Sn-Tb +mp-13162,TbZnSn2,-3.93954084,-0.461227485,0.0138805065,0.0138805065,GGA,P4/nmm,A2BC_tP8_129_ac_c_b:Sn-Tb-Zn,8.0,A2BC_tP8_129_ac_c_b:Sn-Tb-Zn +mp-1222600,Li2ZnSn,-2.5893878675,-0.3175975679,0.0,-0.0132409244,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Sn-Zn,4.0,A2BC_cF16_216_ac_b_d:Li-Sn-Zn +mp-11490,Li2ZnSn,-2.54227736,-0.2704870604,0.0471105075,0.0338695831,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Li-Sn-Zn +mp-1208704,Tb2ZnSn3,-1.3691408933,2.3903910025,2.9945586046,2.9945586046,GGA,P4/mmm,A3B2C_tP6_123_ag_g_b:Sn-Tb-Zn,6.0,A3B2C_tP6_123_ag_g_b:Sn-Tb-Zn +mp-1207243,Sm2GaCo2,-5.665913482,-0.3295327055,0.0,-0.0169657365,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Sm,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Sm +mp-22131,SmGa4Co,-4.4949742858,-0.5050929492,0.0016044606,0.0016044606,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Co-Ga-Sm,12.0,AB4C_oC24_63_c_acf_c:Co-Ga-Sm +mp-1005689,Sm6GaCo2,-5.2810590883,-0.2192537081,0.0,-0.0029594258,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Sm,18.0,"Invalid WP multiplicities - A2BC6_oI36_71_2fg_ab_2l2m3n:Co-Ga-Sm, expected Sm14GaCo3 to be Sm6GaCo2" +mp-1188151,SmGa2Co3,-5.7017625817,-0.3518073208,0.0057530925,0.0057530925,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Sm,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Sm +mp-1219130,SmGaCo2,-5.7254817858,-0.234652349,0.0904146841,0.0904146841,GGA,P-3m1,A2BC_hP24_164_abcdi_i_3d:Co-Ga-Sm,24.0,A2BC_hP24_164_abcdi_i_3d:Co-Ga-Sm +mp-570266,Sm26Ga6Co11,-5.3371128067,-0.2430823093,0.0092177626,0.0092177626,GGA,P4/mbm,A11B6C26_tP86_127_a2egk_hk_2fgj2l:Co-Ga-Sm,86.0,"Invalid WP multiplicities - A11B6C26_tP86_127_2a7e4g5k_3h4k_8f4g7j24l:Co-Ga-Sm, expected Sm122(GaCo2)11 to be Sm26Ga6Co11" +mp-1188906,Sm2Ga2Co15,-6.5287362137,-0.1014661484,0.0458038504,0.0458038504,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Sm,19.0,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Sm +mp-1191458,Sm8Ga3Co,-4.8457318883,-0.3506239765,0.0,-0.0043764703,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Sm,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Sm +mp-570441,Sm4Ga16Co3,-4.3674479626,-0.5131508198,0.0,-0.0074074185,GGA,P4/mmm,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Sm,23.0,"Invalid WP multiplicities - A3B16C4_tP23_123_a2e_2g2h4j2r_i:Co-Ga-Sm, expected Sm4(Ga8Co)5 to be Sm4Ga16Co3" +mp-1219048,SmGa7Co5,-4.8317620931,-0.1043123033,0.2707533489,0.2707533489,GGA,Imm2,A5B7C_oI26_44_2abc_bce_a:Co-Ga-Sm,13.0,A5B7C_oI26_44_2abc_bce_a:Co-Ga-Sm +mp-1188855,Sm2Ga2Co5,-5.9539527517,-0.2834023861,0.0095378799,0.0095378799,GGA,R-3m,A5B2C2_hR54_166_adh_2c_2c:Co-Ga-Sm,18.0,A5B2C2_hR54_166_adh_2c_2c:Co-Ga-Sm +mp-980004,SmGa2Co,-5.0071146137,-0.53634062,0.0,-0.0181072196,GGA,Cmmm,AB2C_oC16_65_g_acg_h:Co-Ga-Sm,8.0,AB2C_oC16_65_g_acg_h:Co-Ga-Sm +mp-1219202,Sm2Ga3Co,-4.8008624833,-0.5292327946000001,0.0297283217,0.0297283217,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Co-Ga-Sm,6.0,AB3C2_oP6_25_a_a2b_cd:Co-Ga-Sm +mp-1219382,Sm(Ga3Co)3,-4.2719201042,-0.172196741,0.2113904387,0.2113904387,GGA,C2/m,A3B9C_mC52_12_3i_ac8i_i:Co-Ga-Sm,26.0,A3B9C_mC52_12_3i_ac8i_i:Co-Ga-Sm +mp-1219037,SmGaCo,-5.3557895133,-0.4041228625,0.0173244717,0.0173244717,GGA,C2/m,ABC_mC12_12_i_i_i:Co-Ga-Sm,6.0,ABC_mC12_12_i_i_i:Co-Ga-Sm +mp-623295,SmGaCo,-5.23695179,-0.2852851392,0.136162195,0.136162195,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Sm,12.0,ABC_oP12_62_c_c_c:Co-Ga-Sm +mp-1095471,SmGaCo,-5.043850345,-0.0921836942,0.32926364,0.32926364,GGA,Cmcm,ABC_oC12_63_a_c_c:Co-Ga-Sm,6.0,ABC_oC12_63_a_c_c:Co-Ga-Sm +mp-1191767,Sm3GaCoSe7,-5.6369829625,-1.5733535820000002,0.0505975409,0.0505975409,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-Se-Sm,24.0,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-Se-Sm +mp-1005789,Sm2(Ga3Co)3,-4.6262568768,-0.4823290298,0.0,-0.0091061089,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Sm,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Sm +mp-19988,SmGa5Co,-4.3201664414,-0.4676830068,0.0,-0.0046675713,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Sm,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Sm +mp-1105102,Sm3GaCo3,-5.7684158093,-0.2671575504,0.0,-0.0034377052,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Co-Ga-Sm,14.0,A3BC3_oC28_63_cf_a_cf:Co-Ga-Sm +mp-1101871,Sm2Ga8Co,-4.1895965327,-0.4832094195,0.0194947259,0.0194947259,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Sm,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Sm +mp-580480,Mn8Zn14Ga27,-3.6419649018,-0.1176562185,0.0106415111,0.0106415111,GGA,R-3,A27B8C14_hR147_148_d4f_cf_ab2f:Ga-Mn-Zn,49.0,"Invalid WP multiplicities - A27B8C14_hR147_148_2d19f_2c2f_ab8f:Ga-Mn-Zn, expected Mn8(Zn5Ga12)5 to be Mn8Zn14Ga27" +mp-1221569,MnZn(GaSe2)4,-4.4790124114,-0.8717670676,0.0009641836,0.0009641836,GGA,C2,A4BC8D_mC28_5_abc_a_4c_b:Ga-Mn-Se-Zn,14.0,"Invalid WP multiplicities - A4BC8D_mC28_5_abc_a_6c_b:Ga-Mn-Se-Zn, expected MnZn(GaSe3)4 to be MnZn(GaSe2)4" +mp-1221562,MnZn(GaSe2)4,-4.4792861507,-0.8720408069000001,0.0006904443,0.0006904443,GGA,P-4,A4BC8D_tP14_81_adg_b_2h_c:Ga-Mn-Se-Zn,14.0,"Invalid WP multiplicities - A4BC8D_tP14_81_adg_b_8h_c:Ga-Mn-Se-Zn, expected MnZn(GaSe8)4 to be MnZn(GaSe2)4" +mp-1218608,Sr4Li3InGe6,-3.5935402964,-0.5239264912,0.0065176418,0.0065176418,GGA,Cm,A6BC3D4_mC28_8_6a_a_3a_4a:Ge-In-Li-Sr,14.0,A6BC3D4_mC28_8_6a_a_3a_4a:Ge-In-Li-Sr +mp-1097095,SrLi2Ge,-1.3119941325,1.2205976279,1.6147887758,1.6147887758,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Li-Sr,4.0,AB2C_oI8_71_a_e_b:Ge-Li-Sr +mp-571617,Sr2LiInGe2,-3.4100280267,-0.5290864911000001,0.0,-0.0125956829,GGA,Pnma,A2BCD2_oP24_62_2c_c_c_2c:Ge-In-Li-Sr,24.0,"Invalid WP multiplicities - A2BCD2_oP24_62_5c_c_c_4c:Ge-In-Li-Sr, expected Sr4LiInGe5 to be Sr2LiInGe2" +mp-1093984,SrLi2In,-0.9452991,1.1194566292,1.3732131065,1.3732131065,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Sr,4.0,AB2C_oI8_71_a_e_b:In-Li-Sr +mp-1187184,SrLi2In,-2.2934683525,-0.2287126233,0.025043854,0.025043854,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Sr,4.0,AB2C_cF16_225_a_c_b:In-Li-Sr +mp-13139,SrLiGe2,-3.7425803719,-0.5314623644,0.0,-0.0422775825,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-Li-Sr,16.0,A2BC_oP16_62_2c_c_c:Ge-Li-Sr +mp-1191694,Sr2LiGe3,-3.7514783488,-0.5586461257,0.0026338,0.0026338,GGA,Pnnm,A3BC2_oP24_58_3g_g_2g:Ge-Li-Sr,24.0,A3BC2_oP24_58_3g_g_2g:Ge-Li-Sr +mp-1103453,Sr2LiGe3,-3.7481406825,-0.5553084594000001,0.0059714662,0.0059714662,GGA,Fmmm,A3BC2_oF48_69_gn_g_fh:Ge-Li-Sr,12.0,A3BC2_oF48_69_gn_g_fh:Ge-Li-Sr +mp-1191880,Sr2LiGe3,-3.7489565033,-0.5561242803,0.0051556454,0.0051556454,GGA,Fddd,A3BC2_oF96_70_eh_e_2f:Ge-Li-Sr,24.0,A3BC2_oF96_70_eh_e_2f:Ge-Li-Sr +mp-867208,Sr2LiIn,-2.2534037925,-0.2435054167,0.0155431569,0.0155431569,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Sr,4.0,ABC2_cF16_225_a_b_c:In-Li-Sr +mp-1094105,Na4ZnSe3,-3.242060715,-1.1123633129,0.0544865653,0.0544865653,GGA,Cc,A4B3C_mC32_9_4a_3a_a:Na-Se-Zn,16.0,"Invalid WP multiplicities - A4B3C_mC32_9_7a_3a_a:Na-Se-Zn, expected Na7ZnSe3 to be Na4ZnSe3" +mp-1190476,Na2Zn(GeSe3)2,-3.9784569991,-0.8760643834,0.0067006486,0.0067006486,GGA,I4/mcm,A2B2C6D_tI44_140_g_f_hl_b:Ge-Na-Se-Zn,22.0,A2B2C6D_tI44_140_g_f_hl_b:Ge-Na-Se-Zn +mp-1024049,Na2Zn2Se3,-3.3107559286,-1.0747170372,0.0003232021,0.0003232021,GGA,C2/c,A2B3C2_mC56_15_2ef_3f_2f:Na-Se-Zn,28.0,A2B3C2_mC56_15_2ef_3f_2f:Na-Se-Zn +mp-1024051,Na2Zn2Se3,-3.2649187271,-1.0288798357,0.0461604036,0.0461604036,GGA,P4_32_12,A2B3C2_tP28_96_b_ab_b:Na-Se-Zn,28.0,A2B3C2_tP28_96_b_ab_b:Na-Se-Zn +mp-1024050,Na2Zn3Se4,-3.2482279411,-0.9806804603,0.066919955,0.066919955,GGA,Ibam,A2B4C3_oI36_72_j_k_af:Na-Se-Zn,18.0,A2B4C3_oI36_72_j_k_af:Na-Se-Zn +mp-1024047,Na6ZnSe4,-3.2932708836,-1.1861307672,0.0,-0.0099815105,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Na-Se-Zn,22.0,A6B4C_hP22_186_2c_bc_b:Na-Se-Zn +mp-1024048,Na4Zn3Se5,-3.3078239692,-1.0954165198,0.0002035875,0.0002035875,GGA,Pnma,A4B5C3_oP48_62_4c_5c_3c:Na-Se-Zn,48.0,A4B5C3_oP48_62_4c_5c_3c:Na-Se-Zn +mp-1024052,Na2ZnSe2,-3.303755353,-1.1244319226,0.0,-0.0005052107,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Na-Se-Zn,20.0,A2B2C_mP20_14_2e_2e_e:Na-Se-Zn +mp-1021465,Na2ZnSe2,-3.301487283,-1.1221638526,0.00226807,0.0017628593,GGA,Ibam,A2B2C_oI20_72_j_j_a:Na-Se-Zn,10.0,A2B2C_oI20_72_j_j_a:Na-Se-Zn +mp-1226800,CeCuNi,-5.5243286567,-0.2535178217,0.0226195367,0.0226195367,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Cu-Ni,6.0,ABC_mC12_12_i_i_i:Ce-Cu-Ni +mp-1226667,CeAl(CuNi)2,-5.193615175,-0.2873898942,0.091229946,0.091229946,GGA,Amm2,ABC2D2_oC12_38_a_a_ab_e:Al-Ce-Cu-Ni,6.0,ABC2D2_oC12_38_a_a_ab_e:Al-Ce-Cu-Ni +mp-1226666,CeAl(CuNi)2,-5.2681882383,-0.3619629575,0.0166568827,0.0166568827,GGA,Cmmm,ABC2D2_oC12_65_a_c_e_h:Al-Ce-Cu-Ni,6.0,ABC2D2_oC12_65_a_c_e_h:Al-Ce-Cu-Ni +mp-1226995,Ce2(CuNi)5,-5.33353608,-0.228294825,0.0112030679,0.0112030679,GGA,Pmmm,A2B5C5_oP12_47_ad_fij_gx:Ce-Cu-Ni,12.0,"Invalid WP multiplicities - A2B5C5_oP12_47_ad_fi2j_gx:Ce-Cu-Ni, expected Ce2Cu7Ni5 to be Ce2(CuNi)5" +mp-1220352,Nd2Si3Ag,-5.415248475,-0.6411143153000001,0.0,-0.0596757999999999,GGA,Imm2,AB2C3_oI12_44_a_ab_a2b:Ag-Nd-Si,6.0,AB2C3_oI12_44_a_ab_a2b:Ag-Nd-Si +mp-31204,Nd(SiAg)2,-4.665404022,-0.4086249222,0.0,-0.0015954503,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Ag-Nd-Si +mp-37949,NdSiAg,-4.8522621117,-0.5102549564000001,0.0201829332,0.0201829332,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Nd-Si,6.0,ABC_hP6_194_c_a_d:Ag-Nd-Si +mp-1206055,NdSi2Ag,-5.1216217137,-0.5087868398000001,0.0,-0.0179692979,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ag-Nd-Si,8.0,ABC2_oC16_63_c_c_2c:Ag-Nd-Si +mp-675678,Nd4Ag2Se7,-5.4332796196,-1.6479656134,0.0857406084,0.0857406084,GGA,Pc,A2B4C7_mP26_7_2a_4a_7a:Ag-Nd-Se,26.0,"Invalid WP multiplicities - A2B4C7_mP26_7_3a_5a_12a:Ag-Nd-Se, expected Nd5(AgSe4)3 to be Nd4Ag2Se7" +mp-17827,Nd3SiAgSe7,-5.5311052208,-1.611630498,0.0,-0.0301932519,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Nd-Se-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b4c_b:Ag-Nd-Se-Si, expected Nd3SiAgSe13 to be Nd3SiAgSe7" +mp-36592,Nd5AgSe8,-5.852147265,-1.9492483374,0.0152149168,0.0152149168,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Nd-Se,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_5g:Ag-Nd-Se, expected Nd9AgSe20 to be Nd5AgSe8" +mp-1226605,CeCuSi2Ni,-5.996437788,-0.6638240750000001,0.0,-0.000372281,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Ni-Si,5.0,ABCD2_tI10_119_c_a_b_f:Ce-Cu-Ni-Si +mp-1113542,Cs2LuAgCl6,-4.241164316,-2.2176111933,0.0,-0.0439421768,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Lu,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Lu +mp-1113451,Cs2ScAgBr6,-3.915614625,-1.8882146418,0.0181560273,0.0181560273,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Sc +mp-1111735,Rb2AgAsBr6,-3.219184063,-1.3420928097,0.0006321978,0.0006321978,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-Rb +mp-1111187,Na2AgAuBr6,-2.8141405070000003,-1.00717465,0.1307019695,0.1307019695,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-Na +mp-17153,Ba(TbTe2)2,-5.1823661229,-1.7879474495,0.0,-0.0222901329,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Tb-Te,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Tb-Te +mp-1173106,Tb8Cu3Te16,-4.989130533,-1.2978178254,0.0237947504,0.0237947504,GGA,P1,A3B8C16_aP27_1_3a_8a_16a:Cu-Tb-Te,27.0,A3B8C16_aP27_1_3a_8a_16a:Cu-Tb-Te +mp-1173103,TbCuTe2,-4.85124759,-1.0962014508,0.01890916,0.01890916,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Tb-Te,4.0,ABC2_hP4_156_a_b_ac:Cu-Tb-Te +mp-1206648,TbCuTe2,-4.77828782,-1.0232416808,0.09186893,0.09186893,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Tb-Te,4.0,ABC2_hP4_164_a_b_d:Cu-Tb-Te +mp-1217624,TbCuTe2,-4.8452704038,-1.0902242646,0.0248863463,0.0248863463,GGA,P-3m1,ABC2_hP32_164_di_ci_2d2i:Cu-Tb-Te,32.0,ABC2_hP32_164_di_ci_2d2i:Cu-Tb-Te +mp-676524,Tb7(CuTe4)3,-5.1074858509,-1.3594016041,0.0081543564,0.0081543564,GGA,P1,A3B7C12_aP22_1_3a_7a_12a:Cu-Tb-Te,22.0,A3B7C12_aP22_1_3a_7a_12a:Cu-Tb-Te +mp-1095403,BaTbCuTe3,-4.803159995,-1.45608243,0.0,-0.0330208013,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Tb-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Tb-Te +mp-1217851,Tb(CuTe)3,-4.4520650707,-0.686078815,0.0323319607,0.0323319607,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Tb-Te,14.0,A3BC3_hR42_148_f_c_f:Cu-Tb-Te +mp-1106146,Ba2ErInTe5,-4.5020561283,-1.516069252,0.0132594129,0.0132594129,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-In-Te,18.0,A2BCD5_oC36_36_2a_a_a_5a:Ba-Er-In-Te +mp-1114111,Rb2ScTlBr6,-3.935839267,-1.9384042293,0.0354959165,0.0354959165,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Sc-Tl +mp-1113564,Rb2HgAsBr6,-2.940293499,-1.3160898095,0.029339934,0.029339934,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-Rb +mp-1221739,Mn4BiSb3,-6.6510746013,-0.041630349,0.0583296658,0.0583296658,GGA,Pmm2,AB4C3_oP8_25_a_ef_bcd:Bi-Mn-Sb,8.0,"Invalid WP multiplicities - AB4C3_oP8_25_a_2e2f_bcd:Bi-Mn-Sb, expected Mn8BiSb3 to be Mn4BiSb3" +mp-4836,Yb(MnSb)2,-5.884065664,-0.2597373952,0.1995567158,0.1995567158,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-Sb-Yb,,A2B2C_hP5_164_d_d_a:Mn-Sb-Yb +mp-1215539,YbMn2BiSb,-5.68650851,-0.1198826632,0.287807659,0.287807659,GGA,P3m1,AB2CD_hP5_156_a_ab_b_c:Bi-Mn-Sb-Yb,,AB2CD_hP5_156_a_ab_b_c:Bi-Mn-Sb-Yb +mp-568088,Yb14MnSb11,-3.9797975435,-1.0515073568,0.0,-0.0346909884,GGA,I4_1/acd,AB11C14_tI208_142_a_bf2g_e3g:Mn-Sb-Yb,,"Invalid WP multiplicities - AB11C14_tI208_142_a_4b6f16g_8e35g:Mn-Sb-Yb, expected Yb156MnSb80 to be Yb14MnSb11" +mp-1094016,YbMnSb2,-5.2514497088,-0.5115431957000001,0.062574443,0.062574443,GGA,I4/mmm,AB2C_tI16_139_d_ce_e:Mn-Sb-Yb,,AB2C_tI16_139_d_ce_e:Mn-Sb-Yb +mp-1204096,Yb9Mn4Bi9,-4.4005549143,-0.5337850117,0.1060169826,0.1060169826,GGA,Pbam,A9B4C9_oP44_55_a2g2h_2g_cg3h:Bi-Mn-Yb,,A9B4C9_oP44_55_a2g2h_2g_cg3h:Bi-Mn-Yb +mp-1112943,Cs2AgSbBr6,-3.267772011,-1.4607188143,0.0073803328,0.0073803328,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Sb +mp-1095278,BaTbAgTe3,-4.6055002533,-1.4695311328,0.0,-0.0278623885,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Tb-Te,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Tb-Te +mp-568031,GaHg2SbCl4,-2.978102057,-1.083276478,0.000576713,-0.05264671,GGA,Pna2_1,A4BC2D_oP64_33_8a_2a_4a_2a:Cl-Ga-Hg-Sb,64.0,"Invalid WP multiplicities - A4BC2D_oP64_33_30a_6a_12a_6a:Cl-Ga-Hg-Sb, expected GaHg2SbCl5 to be GaHg2SbCl4" +mp-571190,GaHg2SbCl4,-2.97867877,-1.0838531909,0.0,-0.053223423,GGA,Pbcn,A4BC2D_oP64_60_4d_d_acd_d:Cl-Ga-Hg-Sb,64.0,"Invalid WP multiplicities - A4BC2D_oP64_60_23d_d_3a3c4d_d:Cl-Ga-Hg-Sb, expected GaHg7SbCl23 to be GaHg2SbCl4" +mp-1113546,Rb2HgAuBr6,-2.722090692,-1.236410643,0.0484413662,0.0484413662,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Hg-Rb +mp-975176,Rb2HgAu,-1.5997167425,-0.215059115,0.0302940653,0.0302940653,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Rb,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Rb +mp-1203071,Yb3Co4Ge13,-5.0320498415,-0.3744769347,0.0,-0.0221256403,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Yb,,A4B13C3_cP40_223_e_ak_c:Co-Ge-Yb +mp-568902,Yb(CoGe)2,-5.550089188,-0.549629272,0.0,-0.120083314,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Yb,,A2B2C_tI10_139_d_e_a:Co-Ge-Yb +mp-641845,Yb7In(CoGe3)4,-4.6139523579,-0.5540128942,0.0,-0.0078702078,GGA,P4/m,A4B12CD7_tP24_83_j_2jk_a_cfk:Co-Ge-In-Yb,,"Invalid WP multiplicities - A4B12CD7_tP24_83_j_5j4k_a_c2fk:Co-Ge-In-Yb, expected Yb9In(CoGe9)4 to be Yb7In(CoGe3)4" +mp-20972,YbIn5Co,-3.4026548414,-0.2017484521,0.0026096264,0.0026096264,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-Yb,,AB5C_tP7_123_b_ci_a:Co-In-Yb +mp-1202795,Yb5(Co2Ge5)2,-4.8627364363000005,-0.5279158505,0.004964568,0.004964568,GGA,P4/mbm,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Yb,,A4B10C5_tP38_127_i_gij_a2h:Co-Ge-Yb +mp-1207575,YbCoGe,-4.9428403533,-0.5191890433,0.0045827294,0.0045827294,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Yb,,ABC_oP12_62_c_c_c:Co-Ge-Yb +mp-1103535,Yb(CoGe)6,-5.8724218354,-0.3395232062,0.0056746731,0.0056746731,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Yb,,A6B6C_hP13_191_i_cde_a:Co-Ge-Yb +mp-1086674,YbCoGe2,-5.0000574375,-0.5265619912,0.0098077718,0.0098077718,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Yb,,AB2C_oC16_63_c_2c_c:Co-Ge-Yb +mp-1207593,Yb(Co2Ge)2,-5.9213755157,-0.3186704914,0.0739218457,0.0739218457,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Co-Ge-Yb,,A4B2C_tP14_136_i_f_a:Co-Ge-Yb +mp-1110793,Rb2InAuCl6,-3.493233131,-1.5854477475,0.0376250608,0.0376250608,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-In-Rb +mp-1220105,Ni3(Sn2Pt)2,-5.4199292911,-0.3620443911,0.0371952797,0.0371952797,GGA,P3m1,A3B2C4_hP9_156_2ab_2a_2b2c:Ni-Pt-Sn,9.0,A3B2C4_hP9_156_2ab_2a_2b2c:Ni-Pt-Sn +mp-1025558,CeNiSn2,-5.465771745,-0.5326793588000001,0.0116270633,0.0116270633,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Ni-Sn,8.0,ABC2_oC16_63_c_c_2c:Ce-Ni-Sn +mp-22713,Ce2Ni2Sn,-5.99106603,-0.503861325,0.0,-0.0176833451,GGA,Immm,A2B2C_oI10_71_e_g_c:Ce-Ni-Sn,5.0,A2B2C_oI10_71_e_g_c:Ce-Ni-Sn +mp-1226819,CeNiSn,-5.769408735,-0.5284761717,0.062999605,-0.0097841126,GGA,C2/m,ABC_mC12_12_i_i_i:Ce-Ni-Sn,6.0,ABC_mC12_12_i_i_i:Ce-Ni-Sn +mp-21119,CeNiSn,-5.83240834,-0.5914757767000001,0.0,-0.0727837176,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Ce-Ni-Sn +mp-1077900,CeNiSn,-5.783641515,-0.5427089517,0.048766825,-0.0240168926,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ce-Ni-Sn,6.0,ABC_hP6_194_a_c_d:Ce-Ni-Sn +mp-1078794,Ce(NiSn)2,-5.604171571,-0.501670326,0.0,-0.0239180396,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Ni-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Ni-Sn +mp-22026,Ce(NiSn)2,-5.526692798,-0.424191553,0.077478773,0.0535607334,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Ni-Sn,5.0,AB2C2_tI10_139_a_d_e:Ce-Ni-Sn +mp-574423,CeNi5Sn,-5.9381603586,-0.3891111571,0.0,-0.0287299957,GGA,P6_3/mmc,AB5C_hP28_194_ac_bdfk_f:Ce-Ni-Sn,28.0,"Invalid WP multiplicities - AB5C_hP28_194_2a2c_2b2d3f3k_f:Ce-Ni-Sn, expected Ce2Ni14Sn to be CeNi5Sn" +mp-672267,Ce(SnPt)2,-6.008293628,-0.7893937270000001,0.030778437,0.030778437,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Pt-Sn,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Pt-Sn +mp-510126,Ce3Ni2Sn7,-5.3358244408,-0.5502791233000001,0.0,-0.0069105879,GGA,Cmmm,A3B2C7_oC24_65_ah_g_c2gh:Ce-Ni-Sn,12.0,A3B2C7_oC24_65_ah_g_c2gh:Ce-Ni-Sn +mp-1227353,Ce2NiSn2Pt,-6.0730351767,-0.7836031733000001,0.0048564342,0.0048564342,GGA,Pmc2_1,A2BCD2_oP12_26_ab_a_b_ab:Ce-Ni-Pt-Sn,12.0,A2BCD2_oP12_26_ab_a_b_ab:Ce-Ni-Pt-Sn +mp-20834,CeSnPt,-6.3233748817,-0.9854434383,0.0,-0.1385833182,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Pt-Sn,12.0,ABC_oP12_62_c_c_c:Ce-Pt-Sn +mp-22763,CeSnPt,-6.3204433078,-0.9825118644,0.0029315739,-0.1356517443,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Pt-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_a2d_g:Ce-Pt-Sn, expected Ce3Sn3Pt5 to be CeSnPt" +mp-1227879,Ce10(NiSn)3,-5.8838102719,-0.3400591997,0.071748942,0.071748942,GGA,Fmm2,A10B3C3_oF64_42_c2de_ac_ab:Ce-Ni-Sn,16.0,"Invalid WP multiplicities - A10B3C3_oF64_42_c4d2e_ac_ab:Ce-Ni-Sn, expected Ce6NiSn to be Ce10(NiSn)3" +mp-1227379,Ce2NiSn4,-5.3747166429,-0.5626305843,0.0100095582,0.0100095582,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Ce-Ni-Sn,7.0,A2BC4_oC14_38_ab_a_2a2b:Ce-Ni-Sn +mp-30510,Ce(Ni2Sn)2,-5.3746756071,-0.0785642379,0.3348494543,0.3348494543,GGA,I-4c2,AB4C2_tI28_120_a_i_h:Ce-Ni-Sn,14.0,AB4C2_tI28_120_a_i_h:Ce-Ni-Sn +mp-510125,Ce(Ni2Sn)2,-5.7024824736,-0.4063711043,0.0070425879,0.0070425879,GGA,I4/mcm,AB4C2_tI28_140_a_l_h:Ce-Ni-Sn,14.0,AB4C2_tI28_140_a_l_h:Ce-Ni-Sn +mp-640776,Ce4Sn25Pt12,-5.3494420915,-0.5488261687,0.0176788514,0.0176788514,GGA,Im-3,A4B12C25_cI82_204_c_g_a2g:Ce-Pt-Sn,41.0,"Invalid WP multiplicities - A4B12C25_cI82_204_c_g_a16g:Ce-Pt-Sn, expected Ce4Sn193Pt12 to be Ce4Sn25Pt12" +mp-1111503,Na2InCuBr6,-3.114483005,-1.2330719083,0.1550297015,0.1550297015,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-Na,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-Na +mp-1110632,Rb2InAsBr6,-3.279605446,-1.41060142,0.0928494703,0.0928494703,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-In-Rb +mp-1104469,CsGdZnTe3,-5.5996493892,-1.3227850722,0.0,-0.1067838338,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cs-Gd-Te-Zn,12.0,ABC3D_oC24_63_c_a_cf_c:Cs-Gd-Te-Zn +mp-989583,Rb2LiInCl6,-3.752420959,-1.9811314888,0.0,-0.0375226937,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-In-Li-Rb +mp-1112900,Cs2TlHgBr6,-2.811207118,-1.4336772944,0.0231406197,0.0231406197,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Tl +mp-1111467,Rb2AlAuCl6,-3.731438606,-1.7242640125,0.1564012156,0.1564012156,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-Rb +mp-1111545,Na2AlAgCl6,-3.689090586,-1.657650348,0.151799933,0.151799933,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-Na +mp-1113280,Cs2AlInCl6,-3.901137493,-1.9632090666,0.0463918255,0.0463918255,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-In,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-In +mp-1191089,Mg3MnNi2,-4.4058225213,-0.1519677209,0.0002301782,0.0002301782,GGA,Fd-3m,A3BC2_cF96_227_f_c_e:Mg-Mn-Ni,24.0,A3BC2_cF96_227_f_c_e:Mg-Mn-Ni +mp-1022926,Mg6MnSb,-2.8463986994,0.0151884046,0.1674975868,0.1674975868,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Sb, expected Mg12MnSb to be Mg6MnSb" +mp-1022931,Mg6MnSb,-2.8451822744,0.0164048296,0.1687140118,0.1687140118,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Sb, expected Mg12MnSb to be Mg6MnSb" +mp-1028074,Mg14MnSb,-2.2250739637,0.0058596133,0.0934431112,0.0934431112,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Sb, expected Mg18MnSb to be Mg14MnSb" +mp-1028069,Mg14MnSb,-2.2212943869,0.0096391901,0.097222688,0.097222688,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Sb, expected Mg26MnSb to be Mg14MnSb" +mp-15778,MgNiSb,-4.3069976933,-0.4705250367,0.0,-0.1072205515,GGA,F-43m,ABC_cF12_216_a_c_b:Mg-Ni-Sb,3.0,ABC_cF12_216_a_c_b:Mg-Ni-Sb +mp-1222105,Mg5MnSb4,-3.681283947,-0.3133418968,0.0753764653,0.0753764653,GGA,P3m1,A5BC4_hP10_156_a2b2c_a_2a2b:Mg-Mn-Sb,10.0,A5BC4_hP10_156_a2b2c_a_2a2b:Mg-Mn-Sb +mp-1021706,Mg6NiSb,-2.4810723987,-0.0422201212,0.1693097229,0.1693097229,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Sb, expected Mg12NiSb to be Mg6NiSb" +mp-1099292,Mg6NiSb,-2.4843505688,-0.0454982912,0.1660315529,0.1660315529,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Sb,8.0,A6BC_oC16_38_abde_a_b:Mg-Ni-Sb +mp-1028195,Mg14MnNi,-2.2682391844,0.0658903576,0.1143767976,0.1143767976,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Ni,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Ni, expected Mg18MnNi to be Mg14MnNi" +mp-1028161,Mg14MnNi,-2.1833845838,0.1507449583,0.1992313982,0.1992313982,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Ni,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Ni, expected Mg26MnNi to be Mg14MnNi" +mp-1221983,MgMn(NiSb)2,-5.1006341217,-0.003872258,0.3668714417,0.3668714417,GGA,R3m,ABC2D2_hR18_160_a_a_2a_2a:Mg-Mn-Ni-Sb,6.0,ABC2D2_hR18_160_a_a_2a_2a:Mg-Mn-Ni-Sb +mp-1028357,Mg14NiSb,-2.0446386231,-0.0250724594,0.0921213695,0.0921213695,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Sb, expected Mg18NiSb to be Mg14NiSb" +mp-1028340,Mg14NiSb,-2.0434871744,-0.0239210106,0.0932728183,0.0932728183,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Sb, expected Mg26NiSb to be Mg14NiSb" +mp-1022985,Mg6MnNi,-2.950073095,0.117905939,0.1935203092,0.1935203092,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Ni, expected Mg12MnNi to be Mg6MnNi" +mp-1023027,Mg6MnNi,-2.9561748894,0.1118041446,0.1874185149,0.1874185149,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Ni, expected Mg12MnNi to be Mg6MnNi" +mp-30773,MgNi2Sb,-4.6084341775,-0.286045515,0.0695400283,0.0695400283,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ni-Sb,4.0,AB2C_cF16_225_a_c_b:Mg-Ni-Sb +mp-1102155,ErAlAu,-4.65617708,-0.7937848667,0.0,-0.0982790332,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Au-Er,12.0,ABC_oP12_62_c_c_c:Al-Au-Er +mp-12563,ErGeAu,-4.7300191867,-0.5751429650000001,0.1637559256,0.1637559256,GGA,P6_3mc,ABC_hP6_186_a_b_b:Au-Er-Ge,6.0,ABC_hP6_186_a_b_b:Au-Er-Ge +mp-12020,ErAl4Ge2Au,-4.42395743,-0.41521245,0.0,-0.01084527,GGA,R-3m,A4BCD2_hR24_166_2c_a_b_c:Al-Au-Er-Ge,8.0,"Invalid WP multiplicities - A4BCD2_hR24_166_4c_a_b_c:Al-Au-Er-Ge, expected ErAl8Ge2Au to be ErAl4Ge2Au" +mp-16624,ErAl7Au3,-4.1930684459,-0.5013961168000001,0.0,-0.0284841809,GGA,R-3c,A7B3C_hR66_167_af_e_b:Al-Au-Er,22.0,"Invalid WP multiplicities - A7B3C_hR66_167_a2f_e_b:Al-Au-Er, expected ErAl13Au3 to be ErAl7Au3" +mp-636232,CeInAu2,-4.44431458,-0.6361803587,0.0,-0.0918826026,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-In,4.0,A2BC_cF16_225_c_a_b:Au-Ce-In +mp-19718,CeInAu,-4.6002312867,-0.6140129917,0.0,-0.0103971256,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Ce-In,9.0,ABC_hP9_189_ad_f_g:Au-Ce-In +mp-1183717,CeMgAu2,-4.176797065,-0.6565137637,0.0,-0.0317558538,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Ce-Mg,4.0,A2BC_cF16_225_c_a_b:Au-Ce-Mg +mp-1227195,Ce3Mg2InAu3,-4.3181818589,-0.5878310483,0.0,-0.0099258839,GGA,Amm2,A3B3CD2_oC18_38_ae_ad_b_e:Au-Ce-In-Mg,9.0,A3B3CD2_oC18_38_ae_ad_b_e:Au-Ce-In-Mg +mp-21537,Ce(In2Au)2,-3.7419194661,-0.3865497411,0.0085390254,0.0085390254,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Au-Ce-In,28.0,A2BC4_oP28_62_2c_c_4c:Au-Ce-In +mp-1206585,Ce2InAu2,-4.9037349720000005,-0.670609764,0.0,-0.045229621,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Au-Ce-In,10.0,A2B2C_tP10_127_g_h_a:Au-Ce-In +mp-1226970,Ce2Mg5Au,-3.0062605612,-0.1135779913,0.1105921616,0.1105921616,GGA,R-3m,AB2C5_hR24_166_a_c_b2c:Au-Ce-Mg,8.0,"Invalid WP multiplicities - AB2C5_hR24_166_a_c_b4c:Au-Ce-Mg, expected Ce2Mg9Au to be Ce2Mg5Au" +mp-1097205,MgInAu2,-2.0848533625,0.6400785825,1.0554670849,1.0554670849,GGA,Immm,A2BC_oI8_71_e_a_b:Au-In-Mg,4.0,A2BC_oI8_71_e_a_b:Au-In-Mg +mp-759835,CeMgAu,-4.1545532711,-0.5521362028,0.0,-0.0820548187,GGA,P-62m,ABC_hP9_189_ad_f_g:Au-Ce-Mg,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Au-Ce-Mg, expected Ce3Mg3Au5 to be CeMgAu" +mp-1180283,MgGaCu3Se4,-3.95419366,-0.5197889941,0.2178955192,0.2178955192,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ga-Mg-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ga-Mg-Se +mp-10690,EuCoGe3,-6.739515326,-0.492634694,0.0,-0.07384311,GGA,I4mm,ABC3_tI10_107_a_a_ab:Co-Eu-Ge,5.0,ABC3_tI10_107_a_a_ab:Co-Eu-Ge +mp-1225466,Eu2Co4Si3Ge,-7.573125816,-0.5885001435,0.009426299,0.009426299,GGA,P4mm,A4B2CD3_tP10_99_2c_ab_a_a2b:Co-Eu-Ge-Si,10.0,"Invalid WP multiplicities - A4B2CD3_tP10_99_4c_ab_a_a2b:Co-Eu-Ge-Si, expected Eu2Co8Si3Ge to be Eu2Co4Si3Ge" +mp-1192337,EuCo9Si2,-7.3133271596,-0.2231189917,0.0349993858,0.0349993858,GGA,I4_1/amd,A9BC2_tI48_141_ai_b_c:Co-Eu-Si,24.0,A9BC2_tI48_141_ai_b_c:Co-Eu-Si +mp-1225402,Eu2CoSi3,-7.71887953,-0.4025002825,0.1729941621,0.1729941621,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Co-Eu-Si,6.0,AB2C3_hP6_187_a_i_bcd:Co-Eu-Si +mp-672294,Eu(CoSi)2,-7.684338796,-0.619484106,0.0,-0.1232692581,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Eu-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Eu-Si +mp-1225561,Eu2Co5Ge3,-7.308213264,-0.31574565,0.0818030579,0.0818030579,GGA,P4mm,A5B2C3_tP10_99_a2c_ab_a2b:Co-Eu-Ge,10.0,"Invalid WP multiplicities - A5B2C3_tP10_99_a4c_ab_a2b:Co-Eu-Ge, expected Eu2(Co3Ge)3 to be Eu2Co5Ge3" +mp-1206612,Eu(CoGe)2,-7.249001854,-0.5050632340000001,0.0,-0.1155823665,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Eu-Ge,5.0,A2BC2_tI10_139_d_a_e:Co-Eu-Ge +mp-1225172,EuCo2SiGe,-7.480765434,-0.576368779,0.0,-0.014095109,GGA,I4mm,A2BCD_tI10_107_b_a_a_a:Co-Eu-Ge-Si,5.0,A2BCD_tI10_107_b_a_a_a:Co-Eu-Ge-Si +mp-865712,Ti2MnNi,-8.021677505,-0.3383935036,0.0,-0.0215989413,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Ni-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Ni-Ti +mp-1208338,TiMnSn4,-5.6220206039,-0.1060548158,0.0261448438,0.0261448438,GGA,P6_222,AB4C_hP18_180_a_fj_c:Mn-Sn-Ti,18.0,AB4C_hP18_180_a_fj_c:Mn-Sn-Ti +mp-999083,Ti2MnSn,-7.385294395,-0.1446515999,0.1797448651,0.1797448651,GGA,F-43m,ABC2_cF16_216_a_c_bd:Mn-Sn-Ti,4.0,ABC2_cF16_216_a_c_bd:Mn-Sn-Ti +mp-1217085,TiMn(Ni2Sn)2,-6.31561261,-0.2909628927,0.042378001,0.042378001,GGA,R-3m,AB4C2D_hR24_166_a_2c_c_b:Mn-Ni-Sn-Ti,8.0,"Invalid WP multiplicities - AB4C2D_hR24_166_a_3c_c_b:Mn-Ni-Sn-Ti, expected TiMn(Ni3Sn)2 to be TiMn(Ni2Sn)2" +mp-1208400,Ti5MnSn3,-7.0744572039,-0.3335470994,0.008262041,0.008262041,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Mn-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Mn-Sn-Ti +mp-1227269,CeTl2InSe4,-4.4798148537,-1.0556017176,0.0648963286,0.0648963286,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Ce-In-Se-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Ce-In-Se-Tl +mp-1078723,CeTlSe2,-5.1472873987,-1.3253985845,0.1590050621,0.1590050621,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Ce-Se-Tl,8.0,AB2C_tI16_140_b_h_a:Ce-Se-Tl +mp-999069,Ti2AlFe,-7.23387446,-0.2322291917,0.18165815,0.18165815,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Fe-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Fe-Ti +mp-1192877,Ti6Al16Co7,-5.9277536128,-0.5118780974,0.0083107639,0.0083107639,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Co-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Co-Ti +mp-1208277,Ti6Al16Fe7,-6.1206051721,-0.3760426255,0.0325332091,0.0325332091,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Fe-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Fe-Ti +mp-1217391,Ti13Al9Co8,-6.9606582013,-0.5200541664,0.0,-0.0309211577,GGA,R3m,A9B8C13_hR90_160_3a2b_2a2b_a4b:Al-Co-Ti,30.0,A9B8C13_hR90_160_3a2b_2a2b_a4b:Al-Co-Ti +mp-1064228,Ti2AlCo,-6.9257255675,-0.2645061529,0.1961857254,0.1961857254,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Co-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Co-Ti +mp-1217016,TiAlCo2,-7.00264589,-0.5382200308,0.086721725,-0.032221735,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Co-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Co-Ti +mp-5407,TiAlCo2,-7.0893676150000005,-0.6249417558,0.0,-0.11894346,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Co-Ti +mp-998980,TiAlFeCo,-7.38602,-0.5811682871,0.0,-0.0416141588,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-Ti,4.0,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-Ti +mp-1217171,TiAlFe,-7.0717016125,-0.3680052603,0.0711630999999999,0.0711630999999999,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Ti, expected Ti3(AlFe)2 to be TiAlFe" +mp-1217020,TiAlFe2,-7.54255755,-0.3972799833,0.0568865175,-0.0234214,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Fe-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Fe-Ti +mp-31187,TiAlFe2,-7.5994440675,-0.4541665008,0.0,-0.0803079175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Ti +mp-540812,Sr2CuF6,-5.51161033,-3.4063806209,0.0396388256,0.0396388256,GGA,P-4b2,AB6C2_tP36_117_ad_3i_ef:Cu-F-Sr,36.0,AB6C2_tP36_117_ad_3i_ef:Cu-F-Sr +mp-557552,Sr2CuF6,-5.5511621817,-3.4459324726,8.69739e-05,8.69739e-05,GGA,Cmce,AB6C2_oC36_64_a_eg_d:Cu-F-Sr,18.0,"Invalid WP multiplicities - AB6C2_oC36_64_a_3e4g_d:Cu-F-Sr, expected Sr2CuF22 to be Sr2CuF6" +mp-12265,SrCuF4,-5.29185261,-3.0527499444,0.0,-0.0150656496,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Cu-F-Sr,12.0,AB4C_tI24_140_d_l_a:Cu-F-Sr +mp-1091416,SrCuTeF,-4.8377155425,-2.1268442965,0.0181342956,0.0181342956,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-F-Sr-Te,8.0,ABCD_tP8_129_a_b_c_c:Cu-F-Sr-Te +mp-1113585,Cs2LaAgCl6,-4.298450264,-2.2333914828,0.009555992,0.009555992,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-La,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-La +mp-1210068,NaErCu2F8,-5.3740408858,-2.9256667872,0.0,-0.0141948318,GGA,I422,A2BC8D_tI24_97_d_a_k_b:Cu-Er-F-Na,12.0,A2BC8D_tI24_97_d_a_k_b:Cu-Er-F-Na +mp-3237,Na2CuF4,-4.5592937107,-2.5035546926,0.0,-0.0197730982,GGA,P2_1/c,AB4C2_mP14_14_a_2e_e:Cu-F-Na,14.0,AB4C2_mP14_14_a_2e_e:Cu-F-Na +mp-1147641,Na2CuF4,-4.3340129886,-2.2782739704,0.2252807221,0.2055076239,GGA,I4/mmm,AB4C2_tI14_139_a_cd_e:Cu-F-Na,7.0,AB4C2_tI14_139_a_cd_e:Cu-F-Na +mp-1210463,Na3CuF6,-4.482757254,-2.5291916185,0.0,-0.1890006228,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Cu-F-Na,20.0,AB6C3_mP20_14_a_3e_be:Cu-F-Na +mp-1221036,NaErF4,-6.2517879050000005,-3.9957612428,0.0016846092,-0.0351553317,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Er-F-Na,6.0,AB4C_tP6_123_a_i_d:Er-F-Na +mp-674459,NaErF4,-6.2534725142,-3.9974458519,0.0,-0.0368399408,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Er-F-Na,12.0,AB4C_tI24_141_a_f_b:Er-F-Na +mp-505085,NaCuF3,-4.5331225835,-2.3018888103,0.0012037889,0.0012037889,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Cu-F-Na,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2ab_4e_e:Cu-F-Na, expected Na2Cu3F8 to be NaCuF3" +mp-29343,NaCu3F7,-4.50254976,-2.0479590258,0.0,-0.0127696966,GGA,C2/c,A3B7C_mC44_15_acd_e3f_b:Cu-F-Na,22.0,"Invalid WP multiplicities - A3B7C_mC44_15_acd_e4f_b:Cu-F-Na, expected NaCu3F9 to be NaCu3F7" +mp-1113928,Rb2LiScCl6,-4.530228341,-2.4008603333,0.0,-0.035931746,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Sc +mp-607298,Cs2Pd(ICl2)2,-3.3752592078,-1.4517518862,0.0,-0.0046448814,GGA,I4/mmm,A4B2C2D_tI18_139_h_d_e_a:Cl-Cs-I-Pd,9.0,A4B2C2D_tI18_139_h_d_e_a:Cl-Cs-I-Pd +mp-22990,CsICl2,-2.9465862525,-1.430125742,0.0,-0.0577186363,GGA,R-3m,A2BC_hR12_166_c_a_b:Cl-Cs-I,4.0,A2BC_hR12_166_c_a_b:Cl-Cs-I +mp-29806,Cs2PdI6,-2.8282037989,-1.0714388373,0.0119401464,0.0119401464,GGA,I4/mmm,A2B6C_tI18_139_d_eh_a:Cs-I-Pd,9.0,"Invalid WP multiplicities - A2B6C_tI18_139_d_2e2h_a:Cs-I-Pd, expected Cs2PdI12 to be Cs2PdI6" +mp-569066,Cs2PdI6,-2.8339395533,-1.0771745918,0.0062043919,0.0062043919,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Pd,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Pd +mp-972405,U3Cl,-8.82719749,0.1034941825,0.8262272708,0.8262272708,GGA,I4/mmm,AB3_tI8_139_a_bd:Cl-U,4.0,AB3_tI8_139_a_bd:Cl-U +mp-1187624,U3Cl,-8.8381887,0.0925029725,0.8152360608,0.8152360608,GGA,Pm-3m,AB3_cP4_221_a_c:Cl-U,4.0,AB3_cP4_221_a_c:Cl-U +mp-570955,Na2UCl6,-4.9478946752,-2.16704128,0.0,-0.0121819041,GGA,P-3m1,A6B2C_hP27_164_3i_g_ad:Cl-Na-U,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_17i_g_ad:Cl-Na-U, expected Na2UCl34 to be Na2UCl6" +mp-1173530,NaU2Cl6,-5.8240207444,-1.9355134918,0.1393637219,0.1393637219,GGA,Pc,A6BC2_mP18_7_6a_a_2a:Cl-Na-U,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_9e_a_e:Cl-Na-U, expected NaU2Cl18 to be NaU2Cl6" +mp-676303,NaU2Cl6,-5.8429985433,-1.9544912907,0.120385923,0.120385923,GGA,P2_1/c,A6BC2_mP18_14_3e_a_e:Cl-Na-U,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_9e_a_e:Cl-Na-U, expected NaU2Cl18 to be NaU2Cl6" +mp-1220896,NaU2Cl6,-5.8393101211000005,-1.9508028685,0.1240743452,0.1240743452,GGA,P-3,A6BC2_hP9_147_g_a_d:Cl-Na-U,9.0,A6BC2_hP9_147_g_a_d:Cl-Na-U +mp-23235,UCl4,-5.928164944,-2.191053614,0.0,-0.042436607,GGA,I4_1/amd,A4B_tI20_141_h_a:Cl-U,10.0,A4B_tI20_141_h_a:Cl-U +mp-23208,UCl3,-6.3774542625,-2.168199265,0.0,-0.1140865019,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-U,8.0,A3B_hP8_176_h_c:Cl-U +mp-23077,Cs2UCl6,-5.0302162756,-2.3442790851,0.0,-0.1248270222,GGA,P-3m1,A6B2C_hP9_164_i_d_a:Cl-Cs-U,9.0,A6B2C_hP9_164_i_d_a:Cl-Cs-U +mp-23108,Cs2NaUCl6,-4.795468267,-2.2458722662,0.0,-0.0160655558,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-U,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-U +mp-23250,UCl6,-5.2220962819,-2.0245777148,0.0,-0.1940958562,GGA,P-3m1,A6B_hP21_164_3i_ad:Cl-U,21.0,"Invalid WP multiplicities - A6B_hP21_164_4i_ad:Cl-U, expected UCl8 to be UCl6" +mp-1208294,UCl2,-5.6749713342,-0.6788102242,1.2484780114,1.2484780114,GGA,I4_1/amd,A2B_tI24_141_h_c:Cl-U,12.0,A2B_tI24_141_h_c:Cl-U +mp-27240,UCl5,-5.5579110533,-2.1355621683,0.0,-0.0416194956,GGA,P-1,A5B_aP12_2_5i_i:Cl-U,12.0,A5B_aP12_2_5i_i:Cl-U +mp-1419122,UCl5,-2.5184992675,0.9038496175,3.0394117858,2.9977922903,GGA,P-1,A5B_aP12_2_5i_i:Cl-U,12.0,A5B_aP12_2_5i_i:Cl-U +mp-570989,UCl5,-5.5548697196,-2.1325208346,0.0030413337,-0.0385781618,GGA,P2_1/c,A5B_mP24_14_5e_e:Cl-U,24.0,"Invalid WP multiplicities - A5B_mP24_14_19e_e:Cl-U, expected UCl19 to be UCl5" +mp-1110882,K3NdCl6,-4.315109867,-2.3960534436,0.0951092308,0.0951092308,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Nd,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Nd +mp-27181,KAuCl4,-3.2850384625,-1.321967198,0.0,-0.0891877929,GGA,Pc,AB4C_mP24_7_2a_8a_2a:Au-Cl-K,24.0,AB4C_mP24_14_ad_4e_e:Au-Cl-K +mp-568986,KAuCl4,-3.2848452558,-1.3217739913,0.0001932067,-0.0889945862,GGA,P2_1/c,AB4C_mP24_14_ab_4e_e:Au-Cl-K,24.0,"Invalid WP multiplicities - AB4C_mP24_14_ad_13e_e:Au-Cl-K, expected KAuCl13 to be KAuCl4" +mp-1110854,KAuCl3,-3.282036358,-1.2960581726,0.0626134847,0.0626134847,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Cl-K,5.0,AB3C_cP5_221_b_c_a:Au-Cl-K +mp-1211903,K2NdCl5,-4.5783483609,-2.5493947826,0.0,-0.0463059872,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Nd,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-Nd +mp-1111499,K3AuCl6,-3.292440245,-1.5228103649,0.1736636505,0.1736636505,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Cl-K,10.0,AB6C3_cF40_225_a_e_bc:Au-Cl-K +mp-1112422,K2NdAuCl6,-4.111402366,-1.9759976374,0.1711885473,0.1711885473,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Nd +mp-1223459,KFeAs2,-4.7918782125,-0.0672139708,0.269461445,0.269461445,GGA,I-4m2,A2BC_tI8_119_e_c_a:As-Fe-K,4.0,A2BC_tI8_119_e_c_a:As-Fe-K +mp-1223517,KBa(FeAs)4,-5.966633886,-0.4120406513,0.0132513645,0.0132513645,GGA,Cmmm,A4BC4D_oC20_65_gh_a_m_c:As-Ba-Fe-K,10.0,"Invalid WP multiplicities - A4BC4D_oC20_65_2gh_c_m_a:As-Ba-Fe-K, expected KBa(Fe2As3)2 to be KBa(FeAs)4" +mp-675063,KBa2As5,-4.2314232096,-0.7009306031,0.0023679413,0.0023679413,GGA,Cm,A5B2C_mC96_8_2a14b_4a4b_2a2b:As-Ba-K,48.0,"Invalid WP multiplicities - A5B2C_mC96_8_2a28b_4a8b_2a4b:As-Ba-K, expected K5Ba10As29 to be KBa2As5" +mp-1211972,K2BaAs5,-3.9614094075,-0.5319888001,0.0170181583,0.0170181583,GGA,Cmc2_1,A5BC2_oC32_36_a2b_a_2a:As-Ba-K,16.0,A5BC2_oC32_36_a2b_a_2a:As-Ba-K +mp-1223766,K2Ba(FeAs)6,-5.8989529347000005,-0.3713122331,0.0077898597,0.0077898597,GGA,C2/m,A6BC6D2_mC30_12_3i_a_hj_i:As-Ba-Fe-K,15.0,"Invalid WP multiplicities - A6BC6D2_mC30_12_5i_a_2hj_i:As-Ba-Fe-K, expected K2Ba(Fe4As5)2 to be K2Ba(FeAs)6" +mp-1223625,KBa3(FeAs)8,-6.0820833995,-0.4870613651,0.0075155352,0.0075155352,GGA,P-1,A8B3C8D_aP20_2_4i_ai_4i_c:As-Ba-Fe-K,20.0,"Invalid WP multiplicities - A8B3C8D_aP20_2_8i_a2i_8i_c:As-Ba-Fe-K, expected KBa5(FeAs)16 to be KBa3(FeAs)8" +mp-1323707,KBa3(FeAs)8,-4.7625723195,0.8324497149000001,1.3270266152,1.3270266152,GGA,P-1,A8B3C8D_aP20_2_4i_ai_4i_c:As-Ba-Fe-K,20.0,"Invalid WP multiplicities - A8B3C8D_aP20_2_8i_a2i_8i_c:As-Ba-Fe-K, expected KBa5(FeAs)16 to be KBa3(FeAs)8" +mp-1223626,KBa4(FeAs)10,-6.0900946568,-0.4869868625,0.0214470148,0.0214470148,GGA,I4/m,A10B4C10D_tI50_87_ei_h_di_a:As-Ba-Fe-K,25.0,"Invalid WP multiplicities - A10B4C10D_tI50_87_2e3i_h_2d2i_a:As-Ba-Fe-K, expected KBa4(Fe5As7)4 to be KBa4(FeAs)10" +mp-1223567,KBa2(FeAs)6,-6.0440064967,-0.4624607289,0.00902121,0.00902121,GGA,C2/m,A6B2C6D_mC30_12_3i_i_hj_a:As-Ba-Fe-K,15.0,"Invalid WP multiplicities - A6B2C6D_mC30_12_6i_i_2h3j_a:As-Ba-Fe-K, expected KBa2(Fe4As3)4 to be KBa2(FeAs)6" +mp-35276,K(FeAs)2,-5.760457882,-0.2867222466,0.0,-0.024025073,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Fe-K,5.0,A2B2C_tI10_139_e_d_a:As-Fe-K +mp-1194174,Er9(FeGe)10,-6.4767755838,-0.5443631721000001,0.003404321,0.003404321,GGA,Immm,A9B10C10_oI58_71_afgn_fo_ehjn:Er-Fe-Ge,29.0,A9B10C10_oI58_71_afgn_fo_ehjn:Er-Fe-Ge +mp-1225655,Er2FeGe4,-5.7194512029,-0.5626554529000001,0.0,-0.0067759606,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Ge,,A2BC4_oC14_38_ab_a_2a2b:Er-Fe-Ge +mp-1213161,ErFe6(Sn2Ge)2,-6.39285389,-0.1873008746,0.0064885599,0.0064885599,GGA,P6/mmm,AB6C2D4_hP13_191_a_i_c_de:Er-Fe-Ge-Sn,13.0,AB6C2D4_hP13_191_a_i_c_de:Er-Fe-Ge-Sn +mp-1106108,Er3Fe2Ge3,-6.182734185,-0.6186988831,0.0208244237,0.0208244237,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Er-Fe-Ge,16.0,A3B2C3_oC32_63_cf_f_cf:Er-Fe-Ge +mp-1104653,Er3FeGe3,-5.8115634514,-0.6626689936,0.0682147857,0.0682147857,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Er-Fe-Ge,14.0,A3BC3_oC28_63_cf_a_cf:Er-Fe-Ge +mp-20480,Er(Fe2Ge)2,-7.1107314636,-0.2973229836,0.0229760764,0.0229760764,GGA,Pnnm,AB4C2_oP14_58_a_2g_g:Er-Fe-Ge,14.0,"Invalid WP multiplicities - AB4C2_oP14_58_a_6g_g:Er-Fe-Ge, expected Er(Fe6Ge)2 to be Er(Fe2Ge)2" +mp-3501,Er(Fe2Ge)2,-7.1093063657,-0.2958978857,0.0244011743,0.0244011743,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Er-Fe-Ge,14.0,AB4C2_tP14_136_a_i_f:Er-Fe-Ge +mp-1087539,ErFeGe2,-6.00516644,-0.4342175075,0.0853475684,0.0853475684,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Er-Fe-Ge,8.0,ABC2_oC16_63_c_c_2c:Er-Fe-Ge +mp-1103481,Er3(FeGe)4,-6.4971124255,-0.4902621809,0.0236364,0.0236364,GGA,Immm,A3B4C4_oI22_71_af_n_eh:Er-Fe-Ge,11.0,A3B4C4_oI22_71_af_n_eh:Er-Fe-Ge +mp-5451,Er(FeGe)2,-6.599182072,-0.448418684,0.0,-0.0273004984,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Fe-Ge,5.0,AB2C2_tI10_139_a_d_e:Er-Fe-Ge +mp-1202201,Er(FeGe)6,-6.6734202008,-0.2791114931,0.0,-0.0314762879,GGA,Immm,AB6C6_oI78_71_af_hkno_3e3fgn:Er-Fe-Ge,39.0,AB6C6_oI78_71_af_hkno_3e3fgn:Er-Fe-Ge +mp-1104963,Er(FeGe)6,-6.6721316492,-0.2778229415,0.0012885515,-0.0301877364,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Er-Fe-Ge,13.0,AB6C6_hP13_191_a_i_cde:Er-Fe-Ge +mp-1213251,Er4Fe3Ge4,-5.7838196345,-0.1317241536,0.4884196591,0.4884196591,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Er-Fe-Ge,,A4B3C4_oI22_71_n_af_eh:Er-Fe-Ge +mp-567798,Hg4AsI5,-1.777063079,-0.4529959175,0.0102409196,0.0102409196,GGA,Cmce,AB4C5_oC80_64_f_2fg_e2fg:As-Hg-I,40.0,"Invalid WP multiplicities - AB4C5_oC80_64_f_7f5g_4e7f7g:As-Hg-I, expected Hg17AsI25 to be Hg4AsI5" +mp-651121,Cs3HgI5,-2.5468620829,-1.3961155017,0.0019497588,0.0019497588,GGA,Pbca,A3BC5_oP72_61_3c_c_5c:Cs-Hg-I,72.0,"Invalid WP multiplicities - A3BC5_oP72_61_15c_c_35c:Cs-Hg-I, expected Cs15HgI35 to be Cs3HgI5" +mp-22859,HgI,-1.36040903,-0.4718856725,0.0,-0.0216220886,GGA,I4/mmm,AB_tI8_139_e_e:Hg-I,4.0,AB_tI8_139_e_e:Hg-I +mp-1112951,Cs3AsI6,-2.836930274,-1.2183779119,0.0458277095,0.0458277095,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:As-Cs-I,10.0,AB3C6_cF40_225_a_bc_e:As-Cs-I +mp-567594,Cs2HgI4,-2.4348457886,-1.2937100016,0.0007291079,-0.0076570209,GGA,P2_1,A2BC4_mP14_4_2a_a_4a:Cs-Hg-I,14.0,"Invalid WP multiplicities - A2BC4_mP14_4_4a_a_8a:Cs-Hg-I, expected Cs4HgI8 to be Cs2HgI4" +mp-28421,Cs2HgI4,-2.4355748964,-1.2944391094,0.0,-0.0083861288,GGA,P2_1/m,A2BC4_mP14_11_2e_e_2ef:Cs-Hg-I,14.0,"Invalid WP multiplicities - A2BC4_mP14_11_4e_e_3e3f:Cs-Hg-I, expected Cs4HgI9 to be Cs2HgI4" +mp-23173,HgI2,-1.6631070883,-0.5796360667,0.0207153785,-0.1214932583,GGA,Cmc2_1,AB2_oC12_36_a_2a:Hg-I,6.0,AB2_oC12_36_a_2a:Hg-I +mp-23192,HgI2,-1.6835273283,-0.6000563067,0.0002951385,-0.1419134983,GGA,P4_2/nmc,AB2_tP6_137_a_d:Hg-I,6.0,AB2_tP6_137_a_d:Hg-I +mp-568742,HgI2,-1.6818510021000002,-0.5983799804000001,0.0019714648,-0.1402371721,GGA,P4_2/nmc,AB2_tP24_137_g_cdf:Hg-I,24.0,"Invalid WP multiplicities - AB2_tP24_137_g_4c4d4f:Hg-I, expected HgI8 to be HgI2" +mp-567471,HgI2,-1.6788241979,-0.5953531763000001,0.004998269,-0.1372103679,GGA,I4_1/amd,AB2_tI48_141_h_2eg:Hg-I,24.0,"Invalid WP multiplicities - AB2_tI48_141_h_8e5g:Hg-I, expected HgI9 to be HgI2" +mp-583213,HgI2,-1.6838224669,-0.6003514452000001,0.0,-0.1422086369,GGA,I4_1/acd,AB2_tI96_142_g_deg:Hg-I,48.0,"Invalid WP multiplicities - AB2_tI96_142_g_8d5e10g:Hg-I, expected Hg2I33 to be HgI2" +mp-540574,Cs2Hg3I8,-2.0957857408,-0.9812644608,0.0,-0.0071735041,GGA,Cm,A2B3C8_mC26_8_b_ab_2a3b:Cs-Hg-I,13.0,A2B3C8_mC26_8_b_ab_2a3b:Cs-Hg-I +mp-568838,Hg4I7,-1.5478181464,-0.4997921545,0.0772018774,0.0772018774,GGA,P-4m2,A4B7_tP11_115_j_agi:Hg-I,11.0,"Invalid WP multiplicities - A4B7_tP11_115_j_ag2i:Hg-I, expected Hg4I11 to be Hg4I7" +mp-973601,HgI3,-1.491692975,-0.3107481212,0.1395154627,0.1395154627,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-I,4.0,AB3_tI8_139_a_bd:Hg-I +mp-1112908,Cs2HgAsI6,-2.574231138,-1.0148509766,0.029757432,0.029757432,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:As-Cs-Hg-I,10.0,AB2CD6_cF40_225_a_c_b_e:As-Cs-Hg-I +mp-28590,Hg4As2I3,-1.9704746465,-0.3090238332,0.0055666151,0.0055666151,GGA,Pa-3,A2B4C3_cP72_205_2c_cd_d:As-Hg-I,72.0,A2B4C3_cP72_205_2c_cd_d:As-Hg-I +mp-685231,NaFe8F24,-6.1319034942,-2.6483219732,0.0143636633,0.0143636633,GGA+U,P-1,A24B8C_aP66_2_24i_8i_i:F-Fe-Na,66.0,"Invalid WP multiplicities - A24B8C_aP66_2_48i_16i_i:F-Fe-Na, expected NaFe16F48 to be NaFe8F24" +mp-18455,NaFeF4,-5.7005115954,-2.7941011998,0.0,-0.0075291235,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Na,24.0,A4BC_mP24_14_4e_e_e:F-Fe-Na +mp-1111180,Na2FeHgF6,-4.600902486,-2.3121398893,0.2597205084,0.2597205084,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Na +mp-1210473,Na2Fe2F7,-5.7711038777,-2.7742451705,0.0126513744,0.0126513744,GGA+U,Imm2,A7B2C2_oI44_44_ab2c2e_cd_cd:F-Fe-Na,22.0,"Invalid WP multiplicities - A7B2C2_oI44_74_2e2hj_ac_bd:F-Fe-Na, expected NaFeF5 to be Na2Fe2F7" +mp-560311,Na3FeF6,-5.2900645985,-2.899417509,0.0,-0.0328812398,GGA+U,P2_1/c,A6BC3_mP20_14_3e_a_de:F-Fe-Na,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_6e_a_be:F-Fe-Na, expected Na3FeF12 to be Na3FeF6" +mp-505066,NaFeF3,-5.8478864175,-2.7424897363,0.0,-0.0117901445,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Fe-Na,20.0,A3BC_oP20_62_cd_a_c:F-Fe-Na +mp-1078217,NaFeF3,-5.838193944,-2.7327972628,0.0096924735,-0.002097671,GGA+U,Cmcm,A3BC_oC20_63_cf_a_c:F-Fe-Na,10.0,A3BC_oC20_63_cf_a_c:F-Fe-Na +mp-560925,Na5Fe3F14,-5.51233524,-2.8403627108,0.0016095386,0.0016095386,GGA+U,P2_1/c,A14B3C5_mP44_14_7e_abc_d2e:F-Fe-Na,44.0,"Invalid WP multiplicities - A14B3C5_mP44_14_26e_2a2b2c_d4e:F-Fe-Na, expected Na9Fe6F52 to be Na5Fe3F14" +mp-1202219,Na5Fe3F14,-5.4846095425,-2.8126370133,0.0293352361,0.0293352361,GGA+U,P4_22_12,A14B3C5_tP44_94_c3g_ad_bg:F-Fe-Na,44.0,A14B3C5_tP44_94_c3g_ad_bg:F-Fe-Na +mp-27463,Na5Fe3F14,-5.4855160507,-2.8135435215,0.028428728,0.028428728,GGA+U,P4_2/mnm,A14B3C5_tP44_136_eik_ac_bj:F-Fe-Na,44.0,A14B3C5_tP44_136_eik_ac_bj:F-Fe-Na +mp-1192549,Ba2U(Cu2Se3)2,-5.2620351469,-1.2234462672,0.0,-0.002937899,GGA,P2_1/c,A2B4C6D_mP26_14_e_2e_3e_a:Ba-Cu-Se-U,26.0,A2B4C6D_mP26_14_e_2e_3e_a:Ba-Cu-Se-U +mp-1078441,Ba2UCu2Se5,-5.586901224,-1.5061681622,0.0,-0.0271164289,GGA,C2/m,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-Se-U,10.0,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-Se-U +mp-541587,U3Cu2Se7,-6.73180327,-1.1864679605,0.0,-0.0225008809,GGA,P6_3,A2B7C3_hP24_173_ab_b2c_c:Cu-Se-U,24.0,"Invalid WP multiplicities - A2B7C3_hP24_173_2a2b_2b9c_c:Cu-Se-U, expected U3Cu4Se29 to be U3Cu2Se7" +mp-1197653,U6Cu2Se13,-7.0725716836,-1.291918226,0.0082234797,0.0082234797,GGA,C2/c,A2B13C6_mC84_15_f_e6f_3f:Cu-Se-U,42.0,A2B13C6_mC84_15_f_e6f_3f:Cu-Se-U +mp-1195370,BaU2Se5,-6.9433488591,-1.6956798155,0.0,-0.0283852598,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ba-Se-U,32.0,AB5C2_mP32_14_e_5e_2e:Ba-Se-U +mp-1201537,BaU2Se5,-6.7122896872,-1.4646206437,0.2310591719,0.2026739121,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ba-Se-U,32.0,AB5C2_oP32_62_c_3cd_d:Ba-Se-U +mp-1190418,Ba4USe6,-5.7100330668,-2.0788713726,0.0,-0.008957579,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ba-Se-U,22.0,A4B6C_hR66_167_ae_f_b:Ba-Se-U +mp-1040835,LaCrReO6,-8.9169899344,-2.6154661536,0.1103442381,0.1103442381,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Re,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Re +mp-1386418,LaCrReO6,-2.9372775111,3.3642462697,6.0900566614,6.0900566614,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Re,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Re +mp-1076508,La2Cr2O5,-8.867650215,-2.8774776921000003,0.2085321886,0.2085321886,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cr-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cr-La-O +mp-1097715,La2Cr2O5,-8.8729679722,-2.8827954493,0.2032144313,0.2032144313,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cr-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cr-La-O +mp-18456,LaCrO4,-8.5072937642,-2.7779921942,0.0027820471,0.0027820471,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Cr-La-O,24.0,ABC4_mP24_14_e_e_4e:Cr-La-O +mp-29326,La3(ReO5)2,-9.0110367327,-3.0667725462,0.0,-0.013874834,GGA,C2/m,A3B10C2_mC30_12_ah_3ij_i:La-O-Re,15.0,"Invalid WP multiplicities - A3B10C2_mC30_12_ah_3i2j_i:La-O-Re, expected La3(ReO7)2 to be La3(ReO5)2" +mp-540878,La3Re2O9,-9.1108851589,-3.0953655813,0.0066933532,0.0066933532,GGA,P-1,A3B9C2_aP28_2_3i_9i_2i:La-O-Re,28.0,A3B9C2_aP28_2_3i_9i_2i:La-O-Re +mp-504831,La3ReO8,-8.8699003792,-3.3010621967,0.0,-0.1188750104,GGA,P2_1/m,A3B8C_mP24_11_3e_4e2f_e:La-O-Re,24.0,A3B8C_mP24_11_3e_4e2f_e:La-O-Re +mp-28121,La3ReO8,-8.8655395292,-3.2967013467,0.00436085,-0.1145141604,GGA,Cmcm,A3B8C_oC48_63_cg_2cefg_c:La-O-Re,24.0,"Invalid WP multiplicities - A3B8C_oC48_63_c2g_2cef2g_c:La-O-Re, expected La5ReO10 to be La3ReO8" +mp-21241,Cr2ReO6,-9.0430137333,-2.2173743564,0.04730516,0.04730516,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Cr-O-Re,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f2j_a:Cr-O-Re, expected Cr2ReO12 to be Cr2ReO6" +mp-27539,La2ReO5,-9.1442602125,-3.2630120936,0.0,-0.0482333486,GGA,I4/m,A2B5C_tI32_87_h_di_e:La-O-Re,16.0,"Invalid WP multiplicities - A2B5C_tI32_87_h_d2i_e:La-O-Re, expected La2ReO9 to be La2ReO5" +mp-556104,La2CrO6,-8.4920930744,-3.0248493025,0.0,-0.0964915974,GGA+U,C2/c,AB2C6_mC36_15_e_f_3f:Cr-La-O,18.0,"Invalid WP multiplicities - AB2C6_mC36_15_e_f_10f:Cr-La-O, expected La2CrO20 to be La2CrO6" +mp-1394379,La2CrO6,-8.2653747156,-2.7981309436,0.2267183589,0.1302267615,GGA+U,R-3,AB2C6_hR27_148_a_c_f:Cr-La-O,9.0,AB2C6_hR27_148_a_c_f:Cr-La-O +mp-4802,La4Re6O19,-9.1843442259,-2.687851914,0.0,-0.0035666291,GGA,I23,A4B19C6_cI58_197_c_adf_e:La-O-Re,29.0,"Invalid WP multiplicities - A4B19C6_cI58_197_c_ad2f_e:La-O-Re, expected La4Re6O31 to be La4Re6O19" +mp-19281,LaCrO3,-9.0832108625,-3.1973867208,0.0,-0.0762579119,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-La-O,20.0,ABC3_oP20_62_a_c_cd:Cr-La-O +mp-19357,LaCrO3,-9.075784438,-3.1899602963,0.0074264245,-0.0688314874,GGA+U,R-3c,ABC3_hR30_167_b_a_e:Cr-La-O,10.0,ABC3_hR30_167_b_a_e:Cr-La-O +mp-18841,LaCrO3,-8.991754038,-3.1059298963,0.0914568245,0.0151989126,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-La-O,5.0,ABC3_cP5_221_b_a_c:Cr-La-O +mp-1226109,Cr(ReO3)2,-9.1539115286,-2.0181077389,0.063716455,0.063716455,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cr-O-Re,36.0,AB6C2_tP18_136_a_fj_e:Cr-O-Re +mp-31628,CrReO4,-9.1293214692,-2.1485998858,0.0246519693,0.0246519693,GGA+U,C2/m,AB4C_mC24_12_i_2ij_g:Cr-O-Re,24.0,AB4C_mC24_12_i_2ij_g:Cr-O-Re +mp-1272927,CrReO4,-9.1219155575,-2.1411939742,0.032057881,0.032057881,GGA+U,Cmcm,AB4C_oC48_63_2c_4ch_g:Cr-O-Re,24.0,"Invalid WP multiplicities - AB4C_oC48_63_2c_7ch_g:Cr-O-Re, expected Cr2Re2O11 to be CrReO4" +mp-1226239,CrReO4,-9.0754066892,-2.0946851058,0.0785667493,0.0785667493,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Cr-O-Re,12.0,AB4C_oC12_65_a_gj_c:Cr-O-Re +mp-1289654,CrReO4,-9.1083265946,-2.1276050112,0.0456468439,0.0456468439,GGA+U,Cmmm,AB4C_oC24_65_bc_ghn_k:Cr-O-Re,24.0,"Invalid WP multiplicities - AB4C_oC24_65_2b2c_2g2hn_k:Cr-O-Re, expected Cr2ReO6 to be CrReO4" +mp-1278503,CrReO4,-9.1088433192,-2.1281217358,0.0451301193,0.0451301193,GGA+U,Immm,AB4C_oI24_71_bc_efl_g:Cr-O-Re,12.0,"Invalid WP multiplicities - AB4C_oI24_71_bc_2e2fl_g:Cr-O-Re, expected CrReO6 to be CrReO4" +mp-1203779,LaRe3O16,-7.3860810966,-1.3152506946,0.5615547702,0.5615547702,GGA,P2_1/c,AB16C3_mP80_14_e_16e_3e:La-O-Re,80.0,AB16C3_mP80_14_e_16e_3e:La-O-Re +mp-542397,LuMn2O5,-8.6059013819,-2.6585982993,0.0,-0.0084072164,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Lu-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Lu-Mn-O +mp-15335,Lu2Cu2O5,-7.3297830575,-2.6660321757,0.0448492643,0.0448492643,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Cu-Lu-O,36.0,A2B2C5_oP36_33_2a_2a_5a:Cu-Lu-O +mp-756191,Mn5CuO12,-7.6379925306,-1.5674621047,0.0539213953,0.0539213953,GGA+U,C2/m,AB5C12_mC36_12_a_dgh_2i2j:Cu-Mn-O,18.0,"Invalid WP multiplicities - AB5C12_mC36_12_a_cg2h_4i5j:Cu-Mn-O, expected Mn7CuO28 to be Mn5CuO12" +mp-33737,Mn3Cu3O8,-7.1428628286,-1.4744931446,0.0383781949,0.0383781949,GGA+U,R-3m,A3B3C8_hR42_166_ac_d_ch:Cu-Mn-O,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_ac_d_2ch:Cu-Mn-O, expected Mn3Cu3O10 to be Mn3Cu3O8" +mp-21784,Mn3Cu3O8,-7.160701265,-1.492331581,0.0205397584,0.0205397584,GGA+U,P4_332,A3B3C8_cP56_212_ac_d_ce:Cu-Mn-O,56.0,A3B3C8_cP56_212_ac_d_ce:Cu-Mn-O +mp-19153,Lu2Mn2O7,-8.5747630755,-2.9390582934,0.0,-0.0680682301,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Lu-Mn-O,22.0,A2B2C7_cF88_227_c_d_af:Lu-Mn-O +mp-1221885,MnCuO4,-6.5221543475,-1.014158213,0.2366360152,0.2366360152,GGA+U,Imma,ABC4_oI24_74_e_a_hi:Cu-Mn-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_e_a_2h2i:Cu-Mn-O, expected MnCuO8 to be MnCuO4" +mp-1275750,Mn4(CuO4)3,-7.1137159474,-1.4134030151,0.0468697377,0.0468697377,GGA+U,Im-3,A3B4C12_cI38_204_b_c_g:Cu-Mn-O,19.0,A3B4C12_cI38_204_b_c_g:Cu-Mn-O +mp-532104,Mn8Cu7O20,-7.2327503593,-1.4920548378,0.0602136294,0.0602136294,GGA+U,P1,A7B8C20_aP70_1_14a_16a_40a:Cu-Mn-O,70.0,A7B8C20_aP70_1_14a_16a_40a:Cu-Mn-O +mp-754674,Lu(CuO2)2,-6.7439389871,-2.1002077436,0.0,-0.0596795377,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Lu-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Lu-O +mp-1105980,LuMn4(CuO4)3,-7.476665266,-1.8353204543,0.0544597184,0.0544597184,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Lu-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Lu-Mn-O +mp-756265,Mn4CuO8,-7.8654730338,-1.6869516855,0.0675919809,0.0675919809,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Cu-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_b_acf_3i2j:Cu-Mn-O, expected Mn4CuO14 to be Mn4CuO8" +mp-1176440,MnCuO3,-7.047822522,-1.4275649028,0.0355585284,0.0355585284,GGA+U,R-3,ABC3_hR30_148_c_c_f:Cu-Mn-O,10.0,ABC3_hR30_148_c_c_f:Cu-Mn-O +mp-504567,Mn3(CuO4)2,-7.3061487331,-1.5170742018,0.0253310844,0.0253310844,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Cu-Mn-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Cu-Mn-O +mp-756513,Mn3CuO8,-7.3842789967,-1.4543821436,0.0743540384,0.0743540384,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Cu-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2ch:Cu-Mn-O, expected Mn3CuO10 to be Mn3CuO8" +mp-756525,Mn3CuO8,-7.395676625,-1.465779772,0.0629564101,0.0629564101,GGA+U,R-3m,AB3C8_hR36_166_a_e_ch:Cu-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_e_2c2h:Cu-Mn-O, expected Mn3CuO16 to be Mn3CuO8" +mp-510589,MnCuO2,-7.3290140538,-1.5403642076,0.0,-0.0253971538,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Cu-Mn-O,8.0,ABC2_mC8_12_a_c_i:Cu-Mn-O +mp-754068,Mn(Cu3O4)2,-6.0082863933,-1.1195687265,0.0,-0.0034882278,GGA+U,Fm-3m,A6BC8_cF60_225_d_a_f:Cu-Mn-O,15.0,A6BC8_cF60_225_d_a_f:Cu-Mn-O +mp-765492,Mn11Cu7O24,-7.5269168248,-1.6174610159,0.0265264501,0.0265264501,GGA+U,P1,A7B11C24_aP42_1_7a_11a_24a:Cu-Mn-O,42.0,A7B11C24_aP42_1_7a_11a_24a:Cu-Mn-O +mp-760128,Mn11Cu7O24,-7.5230470636,-1.6135912547,0.0303962113,0.0303962113,GGA+U,C2/m,A7B11C24_mC84_12_aij_ceghj_2i5j:Cu-Mn-O,42.0,"Invalid WP multiplicities - A7B11C24_mC84_12_ai2j_d2e2g2h3j_4i13j:Cu-Mn-O, expected Mn25Cu11O60 to be Mn11Cu7O24" +mp-685488,Mn9(Cu3O10)2,-7.4658309677,-1.5804837713,0.0505789514,0.0505789514,GGA+U,Cm,A6B9C20_mC140_8_12a_8a5b_20a10b:Cu-Mn-O,70.0,"Invalid WP multiplicities - A6B9C20_mC140_8_12a_8a5b_20a14b:Cu-Mn-O, expected Mn3(CuO4)2 to be Mn9(Cu3O10)2" +mp-759736,Mn13Cu11O32,-7.287777878,-1.5290008972,0.0331168519,0.0331168519,GGA+U,C2/m,A11B13C32_mC112_12_a5i_d2i2j_8i4j:Cu-Mn-O,56.0,"Invalid WP multiplicities - A11B13C32_mC112_12_a9i_c3i5j_15i16j:Cu-Mn-O, expected Mn27Cu19O94 to be Mn13Cu11O32" +mp-21125,LuMnO3,-8.7656171515,-3.0610107623,0.0503064982,0.013995536,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Lu-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Lu-Mn-O +mp-18808,LuMnO3,-8.8159236497,-3.1113172605,0.0,-0.0363109622,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Lu-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:Lu-Mn-O +mp-705869,Mn2CuO4,-7.6800676841,-1.6500688128,0.0585423697,0.0585423697,GGA+U,Cm,AB2C4_mC140_8_10a_10a5b_20a10b:Cu-Mn-O,70.0,"Invalid WP multiplicities - AB2C4_mC140_8_10a_10a8b_20a16b:Cu-Mn-O, expected Mn13Cu5O26 to be Mn2CuO4" +mp-698748,Mn2CuO4,-7.6721350727,-1.6421362014,0.0664749811,0.0664749811,GGA+U,Cm,AB2C4_mC168_8_12a_12a6b_24a12b:Cu-Mn-O,84.0,"Invalid WP multiplicities - AB2C4_mC168_8_12a_12a11b_24a17b:Cu-Mn-O, expected Mn17Cu6O29 to be Mn2CuO4" +mp-1275201,Mn2CuO4,-7.7092630536,-1.6792641823,0.0293470003,0.0293470003,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Cu-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ad2e_4i3j:Cu-Mn-O, expected Mn3CuO10 to be Mn2CuO4" +mp-675296,Mn2CuO4,-7.6781201543,-1.648121283,0.0604898996,0.0604898996,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Cu-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h2i:Cu-Mn-O, expected Mn2CuO10 to be Mn2CuO4" +mp-34563,Mn2CuO4,-7.6620700321,-1.6320711608,0.0765400217,0.0765400217,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Cu-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h2i:Cu-Mn-O, expected Mn2CuO10 to be Mn2CuO4" +mp-1292782,Mn2CuO4,-7.6815152586,-1.6515163873,0.0570947953,0.0570947953,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Cu-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_e_2a2c_3h3i:Cu-Mn-O, expected Mn4CuO12 to be Mn2CuO4" +mp-1274535,Mn2CuO4,-7.6875872664,-1.6575883951,0.0510227874,0.0510227874,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Cu-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Cu-Mn-O +mp-685330,Mn2CuO4,-7.6860714576,-1.6560725863,0.0525385962,0.0525385962,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Cu-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b5d_2a2b2c16d:Cu-Mn-O, expected Mn3CuO9 to be Mn2CuO4" +mp-36921,Mn2CuO4,-7.6670300229,-1.6370311516,0.071580031,0.071580031,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Cu-Mn-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Cu-Mn-O +mp-530196,Mn2CuO4,-7.6379378573,-1.6079389860000002,0.1006721965,0.1006721965,GGA+U,R3m,AB2C4_hR168_160_8a_4a4b_8a8b:Cu-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_hR168_160_8a_4a7b_8a22b:Cu-Mn-O, expected Mn25(Cu4O37)2 to be Mn2CuO4" +mp-2234128,Mn2CuO4,-7.6888794307,-1.6588805594,0.0497306231,0.0497306231,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Cu-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ad2e_4i3j:Cu-Mn-O, expected Mn3CuO10 to be Mn2CuO4" +mp-505421,Mn2CuO4,-7.69590198,-1.6659031087,0.0427080738,0.0427080738,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Mn-O,14.0,AB2C4_cF56_227_a_d_e:Cu-Mn-O +mp-422,BeS,-5.24613759,-1.3082062241,0.0,-1.3082062241,GGA,F-43m,AB_cF8_216_a_c:Be-S,2.0,AB_cF8_216_a_c:Be-S +mp-1190700,Nd3BeCrS7,-6.5896155842,-1.8686112758,0.0356245525,0.0356245525,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Nd-S +mp-1210093,Nd3CrS6,-6.8942072682,-2.0165883714,0.0068533778,0.0068533778,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Nd-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Nd-S +mp-1191709,Nd4CrS7,-6.69035617,-1.883623981,0.224312468,0.224312468,GGA,P6_3,AB4C7_hP24_173_b_ac_b2c:Cr-Nd-S,24.0,AB4C7_hP24_173_b_ac_b2c:Cr-Nd-S +mp-1210442,Nd4CrS7,-6.7735068154,-1.9667746264,0.1411618226,0.1411618226,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Cr-Nd-S,24.0,AB4C7_hP24_173_a_bc_b2c:Cr-Nd-S +mp-1183434,Be3S,-3.5406474837,0.2980246317,0.9521277438,0.9521277438,GGA,P6_3/mmc,A3B_hP8_194_h_c:Be-S,8.0,A3B_hP8_194_h_c:Be-S +mp-15931,NdCrS3,-7.0518672535,-1.6857583529,0.0,-0.0082226708,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-Nd-S,20.0,ABC3_oP20_62_c_c_3c:Cr-Nd-S +mp-19200,Tb2Mo2O7,-8.874800650000001,-2.9123594319,0.0018348953,0.0018348953,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mo-O-Tb,22.0,A2B7C2_cF88_227_d_af_c:Mo-O-Tb +mp-29945,Tb2Mo4O15,-8.563081876,-2.5225264803,0.0,-0.0038435753,GGA+U,P2_1/c,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Tb,42.0,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Tb +mp-1105460,Tb5(MoO6)2,-8.8132409379,-3.3277990824,0.0025990695,0.0025990695,GGA+U,C2/m,A2B12C5_mC38_12_h_2i2j_a2i:Mo-O-Tb,19.0,A2B12C5_mC38_12_h_2i2j_a2i:Mo-O-Tb +mp-18340,Tb2MoO6,-8.717904968100001,-3.1851811261,0.0,-0.0357859073,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Tb,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_f_9f_2ef:Mo-O-Tb, expected Tb2MoO9 to be Tb2MoO6" +mp-1213774,Cs2MoO8,-5.7950877445,-1.0487273314,0.356516353,0.356516353,GGA+U,P2_1/c,A2BC8_mP44_14_2e_e_8e:Cs-Mo-O,44.0,A2BC8_mP44_14_2e_e_8e:Cs-Mo-O +mp-1208410,TbMoO5,-8.2285511807,-2.4837712141,0.1539740163,0.1539740163,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Mo-O-Tb,28.0,AB5C_mP28_14_e_5e_e:Mo-O-Tb +mp-1193056,Cs2Mo3O10,-7.7065703103,-2.1202608312,0.0,-0.0306514333,GGA+U,C2/c,A2B3C10_mC60_15_f_ef_5f:Cs-Mo-O,30.0,A2B3C10_mC60_15_f_ef_5f:Cs-Mo-O +mp-1183981,Cs2MoO4,-6.7897038979,-2.157816798,0.0504232775,-0.3036150305,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-O,28.0,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-O +mp-1194312,Cs2MoO4,-6.8401271754,-2.2082400755,0.0,-0.354038308,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-O,28.0,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-O +mp-3114,Tb2(MoO4)3,-8.6091872578,-2.6582491951,0.0,-0.0187836597,GGA+U,Pba2,A3B12C2_oP68_32_3c_12c_2c:Mo-O-Tb,68.0,"Invalid WP multiplicities - A3B12C2_oP68_32_3c_14c_2c:Mo-O-Tb, expected Tb2Mo3O14 to be Tb2(MoO4)3" +mp-1197851,Tb2(MoO4)3,-8.6090458632,-2.6581078006,0.0001413946,-0.0186422651,GGA+U,P-42_1m,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Tb,34.0,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Tb +mp-1202511,Cs2Mo4O13,-7.8298805063,-2.0677563784,0.0115076824,0.0115076824,GGA+U,P-1,A2B4C13_aP38_2_2i_4i_13i:Cs-Mo-O,38.0,A2B4C13_aP38_2_2i_4i_13i:Cs-Mo-O +mp-17022,Cs(MoO3)3,-8.0002548212,-2.0039047363,0.0462788026,0.0462788026,GGA+U,C2/m,AB3C9_mC52_12_i_ij_g4i2j:Cs-Mo-O,26.0,AB3C9_mC52_12_i_ij_g4i2j:Cs-Mo-O +mp-1213289,CsTb(MoO4)2,-8.0696962088,-2.5034813436,0.0437119467,0.0235151917,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Tb,24.0,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Tb +mp-1213293,CsTb(MoO4)2,-8.1134081554,-2.5471932902,0.0,-0.020196755,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Tb,24.0,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Tb +mp-21950,Tb4Mo4O11,-8.8311932088,-2.708370016,0.1869699825,0.1869699825,GGA+U,Pbam,A4B11C4_oP76_55_ghi_e2g2h3i_2g2h:Mo-O-Tb,76.0,"Invalid WP multiplicities - A4B11C4_oP76_55_ghi_e2g4h5i_2g2h:Mo-O-Tb, expected Tb4Mo4O17 to be Tb4Mo4O11" +mp-1200365,Cs2Mo5O16,-7.9122350463,-2.0354491909,0.0170778458,0.0170778458,GGA+U,C2/c,A2B5C16_mC92_15_f_e2f_8f:Cs-Mo-O,46.0,A2B5C16_mC92_15_f_e2f_8f:Cs-Mo-O +mp-1213718,Cs2TbO3,-5.8310633008,-2.2868571379,0.0809318632,0.0809318632,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Cs-O-Tb,12.0,A2B3C_oC24_36_b_ab_a:Cs-O-Tb +mp-1200748,Cs2Mo7O22,-8.0187617681,-2.0014228274,0.0183297926,0.0183297926,GGA+U,C2/c,A2B7C22_mC124_15_f_e3f_11f:Cs-Mo-O,62.0,A2B7C22_mC124_15_f_e3f_11f:Cs-Mo-O +mp-1183917,CsMoO3,-7.094930356,-1.7787066328,0.3737824352,0.3737824352,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Mo-O,5.0,ABC3_cP5_221_a_b_c:Cs-Mo-O +mp-1185551,CsTbO3,-6.324694138,-2.2507272168,0.2818826189,0.2818826189,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Tb,5.0,AB3C_cP5_221_a_c_b:Cs-O-Tb +mp-645299,Cs2Mo2O11,-6.405697191,-1.2126518051,0.3627346281,0.3627346281,GGA+U,P-1,A2B2C11_aP30_2_2i_2i_11i:Cs-Mo-O,30.0,"Invalid WP multiplicities - A2B2C11_aP30_2_3i_2i_22i:Cs-Mo-O, expected Cs3(MoO11)2 to be Cs2Mo2O11" +mp-1200955,La21Mn8Bi7C12,-7.1022342977,-0.548490936,0.0,-0.0870438891,GGA,Fm-3m,A7B12C21D8_cF192_225_ae_g_bfh_f:Bi-C-La-Mn,48.0,A7B12C21D8_cF192_225_ae_g_bfh_f:Bi-C-La-Mn +mp-1195612,La11(MnC6)3,-8.0211950503,-0.2743793348,0.0,-0.11791649,GGA,R-3,A18B11C3_hR192_148_6f_2c3f_f:C-La-Mn,64.0,A18B11C3_hR192_148_6f_2c3f_f:C-La-Mn +mp-567915,La3MnBi5,-5.4588445906,-0.6619021175,0.0785315341,0.0785315341,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Bi-La-Mn,18.0,"Invalid WP multiplicities - A5B3C_hP18_193_4d4g_g_b:Bi-La-Mn, expected La3MnBi20 to be La3MnBi5" +mp-1223491,La2Mn17C2,-8.769065339,-0.003179379,0.0432763814,0.0432763814,GGA,C2/m,A2B2C17_mC42_12_e_i_afh2i2j:C-La-Mn,21.0,"Invalid WP multiplicities - A2B2C17_mC42_12_f_i_ae2h3i4j:C-La-Mn, expected La2Mn29C2 to be La2Mn17C2" +mp-647629,YbMoClO4,-7.1237732,-2.2636946436,0.1493422909,0.1493422909,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Yb,,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_3i3j_i:Cl-Mo-O-Yb, expected YbMoClO9 to be YbMoClO4" +mp-866267,YbMoClO4,-7.2452304686,-2.3851519121,0.0278850224,0.0278850224,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Yb,,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_3i2j_i:Cl-Mo-O-Yb, expected YbMoClO7 to be YbMoClO4" +mp-1178661,YbMoClO4,-7.2321673679,-2.3720888114,0.0409481231,0.0409481231,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Yb,,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_3i3j_i:Cl-Mo-O-Yb, expected YbMoClO9 to be YbMoClO4" +mp-23528,MoCl3O,-5.6742290745,-1.4066393143,0.0828987231,0.0828987231,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Mo-O,20.0,A3BC_mP20_14_3e_e_e:Cl-Mo-O +mp-1221455,MoCl2O,-6.3988563725,-1.5265033372,0.0514358802,0.0514358802,GGA+U,Immm,A2BC_oI8_71_e_c_a:Cl-Mo-O,4.0,A2BC_oI8_71_e_c_a:Cl-Mo-O +mp-1196724,MoCl5O,-4.1628518521,-0.5864201205,0.667309939,0.667309939,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:Cl-Mo-O,56.0,A5BC_mP56_14_10e_2e_2e:Cl-Mo-O +mp-1201837,Mo3Cl4O9,-5.6651726775,-0.3869667168,1.1461431667,1.1461431667,GGA+U,R-3m,A4B3C9_hR96_166_ch_h_hi:Cl-Mo-O,32.0,A4B3C9_hR96_166_ch_h_hi:Cl-Mo-O +mp-1207551,YbMoO4,-8.1275002967,-2.7654980908,0.0,-0.2716975948,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Mo-O-Yb,,AB4C_tI24_88_a_f_b:Mo-O-Yb +mp-557044,Yb(ClO4)3,-4.9768436772,-0.8240010025000001,0.0,-0.114064289,GGA,R3c,A3B12C_hR96_161_b_4b_a:Cl-O-Yb,,"Invalid WP multiplicities - A3B12C_hR96_161_b_22b_a:Cl-O-Yb, expected Yb(ClO22)3 to be Yb(ClO4)3" +mp-561150,Yb(ClO4)3,-4.9754648284,-0.8226221537,0.0013788488,-0.1126854403,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Yb,,"Invalid WP multiplicities - A3B12C_hP32_176_h_9h5i_c:Cl-O-Yb, expected Yb(ClO19)3 to be Yb(ClO4)3" +mp-1197744,Yb4Cl2O13,-5.3085498958,-1.4052625439,0.3311412275,0.3311412275,GGA,P2_1,A2B13C4_mP38_4_2a_13a_4a:Cl-O-Yb,,A2B13C4_mP38_4_2a_13a_4a:Cl-O-Yb +mp-1216429,Yb4Cl2O13,-5.2092317047,-1.3059443528,0.4304594185,0.4304594185,GGA,P2_1,A2B13C4_mP38_4_2a_13a_4a:Cl-O-Yb,,A2B13C4_mP38_4_2a_13a_4a:Cl-O-Yb +mp-1200009,YbCl3O13,-4.8527717285000005,-0.6532322282,0.1222981271,0.1222981271,GGA,P-1,A3B13C_aP34_2_3i_13i_i:Cl-O-Yb,,A3B13C_aP34_2_3i_13i_i:Cl-O-Yb +mp-1209232,Yb6MoO12,-6.3441018347,-2.1628616071,0.6211636555000001,0.6211636555000001,GGA+U,P-1,AB12C6_aP19_2_a_6i_3i:Mo-O-Yb,,AB12C6_aP19_2_a_6i_3i:Mo-O-Yb +mp-1237916,Yb6MoO12,-6.5400191089,-2.3587788813,0.4252463813,0.4252463813,GGA+U,P-1,AB12C6_aP19_2_a_6i_3i:Mo-O-Yb,,AB12C6_aP19_2_a_6i_3i:Mo-O-Yb +mp-1102424,MoCl2O3,-5.7029704683,-0.8058388744,0.5964655797,0.5964655797,GGA+U,Pmn2_1,A2BC3_oP12_31_b_a_3a:Cl-Mo-O,12.0,A2BC3_oP12_31_b_a_3a:Cl-Mo-O +mp-1204581,MoCl2O3,-5.6975341175,-0.8004025235000001,0.6019019305000001,0.6019019305000001,GGA+U,Pnma,A2BC3_oP48_62_2d_2c_6c:Cl-Mo-O,48.0,A2BC3_oP48_62_2d_2c_6c:Cl-Mo-O +mp-653062,Mo2Cl8O,-5.024489418,-1.2584637624,0.1293388632,0.1293388632,GGA+U,P2/c,A8B2C_mP44_13_ef7g_2g_g:Cl-Mo-O,44.0,"Invalid WP multiplicities - A8B2C_mP44_13_2e2f26g_3g_g:Cl-Mo-O, expected Mo3Cl28O to be Mo2Cl8O" +mp-558044,Yb2MoO6,-7.4032607911,-2.5582609092,0.092148739,0.092148739,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Yb,,"Invalid WP multiplicities - AB6C2_mC72_15_f_18f_4e3f:Mo-O-Yb, expected Yb5MoO18 to be Yb2MoO6" +mp-1207563,YbMoO5,-7.4201139318,-2.1174422252,0.2529847098,0.2529847098,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Mo-O-Yb,,AB5C_mP28_14_e_5e_e:Mo-O-Yb +mp-22974,MoCl4O,-5.1448089492,-1.2803947056,0.1229801941,0.1229801941,GGA+U,P-1,A4BC_aP12_2_4i_i_i:Cl-Mo-O,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:Cl-Mo-O, expected MoCl7O to be MoCl4O" +mp-1207731,Yb2Mo4O15,-7.9506291645,-2.2048126089,0.1090057942,0.1090057942,GGA+U,P2_1/c,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Yb,,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Yb +mp-1202450,Mo3Cl7O4,-5.2966214632,-0.6349456207,0.9345273829,0.9345273829,GGA+U,C2/c,A7B3C4_mC112_15_7f_3f_4f:Cl-Mo-O,56.0,A7B3C4_mC112_15_7f_3f_4f:Cl-Mo-O +mp-546292,YbClO,-5.266591855,-2.4883139712,0.2258198892,0.2258198892,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-O-Yb,,ABC_hR18_166_c_c_c:Cl-O-Yb +mp-690522,Mo2Cl4O,-5.9971494943,-1.1354158413,0.342354193,0.342354193,GGA+U,C2,A4B2C_mC14_5_2c_c_a:Cl-Mo-O,7.0,"Invalid WP multiplicities - A4B2C_mC14_5_3c_c_a:Cl-Mo-O, expected Mo2Cl6O to be Mo2Cl4O" +mp-554831,Yb4Cl6O,-5.0577543645,-3.0399051108,0.0,-0.0141927223,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Cl-O-Yb,,"Invalid WP multiplicities - A6BC4_hP22_186_6c_b_2bc:Cl-O-Yb, expected Yb5Cl18O to be Yb4Cl6O" +mp-1190797,NaGd3GeS7,-8.236133845,-1.8087114336,0.0450202739,0.0450202739,GGA,P6_3,A3BCD7_hP24_173_c_b_a_b2c:Gd-Ge-Na-S,24.0,A3BCD7_hP24_173_c_b_a_b2c:Gd-Ge-Na-S +mp-8260,NaGdS2,-8.00425055,-2.0863637332,0.0,-0.1361706672,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Na-S,4.0,ABC2_hR12_166_a_b_c:Gd-Na-S +mp-18568,Na2Ge2S5,-4.5763669522,-0.9571052154,0.0,-0.0082021662,GGA,Cmcm,A2B2C5_oC72_63_fg_eg_2cfgh:Ge-Na-S,36.0,A2B2C5_oC72_63_fg_eg_2cfgh:Ge-Na-S +mp-27752,Na6Ge2S7,-4.2323639577,-1.1566068551,0.0,-0.037240797,GGA,C2/c,A2B6C7_mC60_15_f_ae2f_e3f:Ge-Na-S,30.0,"Invalid WP multiplicities - A2B6C7_mC60_15_f_ce3f_e4f:Ge-Na-S, expected Na8Ge2S9 to be Na6Ge2S7" +mp-4068,Na2GeS3,-4.37092875,-1.0913574096,0.0,-0.0095636694,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Ge-Na-S,24.0,AB2C3_mP24_14_e_2e_3e:Ge-Na-S +mp-1196638,Gd4(GeS4)3,-7.8514729982,-1.545632423,0.0222956875,0.0222956875,GGA,R3c,A4B3C12_hR114_161_ab_b_4b:Gd-Ge-S,38.0,A4B3C12_hR114_161_ab_b_4b:Gd-Ge-S +mp-675078,Ba(FeS2)2,-6.1945570514,-1.1367260761,0.1090217529,0.1090217529,GGA,I4,AB2C4_tI14_79_a_b_c:Ba-Fe-S,7.0,AB2C4_tI14_79_a_b_c:Ba-Fe-S +mp-27660,Ba(FeS2)2,-6.2086714643,-1.1508404889,0.09490734,0.09490734,GGA,I4/m,AB2C4_tI14_87_a_d_h:Ba-Fe-S,7.0,AB2C4_tI14_87_a_d_h:Ba-Fe-S +mp-676036,Ba(FeS2)2,-6.1814779471,-1.1236469718,0.1221008571,0.1221008571,GGA,I422,AB2C4_tI14_97_a_c_j:Ba-Fe-S,7.0,AB2C4_tI14_97_a_c_j:Ba-Fe-S +mp-630328,Ba3FeS5,-5.6411281964,-1.7623287115,0.0737336753,0.0737336753,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Ba-Fe-S,36.0,"Invalid WP multiplicities - A3BC5_oP36_62_3c3d_c_10c4d:Ba-Fe-S, expected Ba9FeS18 to be Ba3FeS5" +mp-1228708,Ba3FeS5,-5.5533325481,-1.6745330632000002,0.1615293235,0.1615293235,GGA,P-6,A3BC5_hP54_174_jk2l_3g_3h3ijk2l:Ba-Fe-S,54.0,A3BC5_hP54_174_jk2l_3g_3h3ijk2l:Ba-Fe-S +mp-555262,Ba9Fe4S15,-5.7759673017,-1.7331956123,0.0546978754,0.0546978754,GGA,Pnma,A9B4C15_oP112_62_3c3d_4c_9c3d:Ba-Fe-S,112.0,"Invalid WP multiplicities - A9B4C15_oP112_62_11c19d_12c_34c23d:Ba-Fe-S, expected Ba49(Fe3S20)4 to be Ba9Fe4S15" +mp-672715,Ba7(Fe3S7)2,-5.8719077672,-1.3473429533,0.2357690539,0.2357690539,GGA,C2/c,A7B6C14_mC108_15_e3f_3f_7f:Ba-Fe-S,54.0,"Invalid WP multiplicities - A7B6C14_mC108_15_2e7f_10f_25f:Ba-Fe-S, expected Ba8(Fe2S5)5 to be Ba7(Fe3S7)2" +mp-680291,Ba15Fe7S25,-5.7985738452,-1.724403223,0.054266433,0.054266433,GGA,Pnma,A15B7C25_oP188_62_5c5d_7c_15c5d:Ba-Fe-S,188.0,"Invalid WP multiplicities - A15B7C25_oP188_62_20c35d_25c_57c37d:Ba-Fe-S, expected Ba90Fe25S131 to be Ba15Fe7S25" +mp-22739,BaFe2S3,-6.4379208667,-1.2265263732,0.0554299783,0.0554299783,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Ba-Fe-S,12.0,AB2C3_oC24_63_c_e_cg:Ba-Fe-S +mp-1096808,BaFeS,-5.7224944517,-0.8806791127,0.6726803183000001,0.6726803183000001,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ba-Fe-S,6.0,ABC_tP6_129_c_a_c:Ba-Fe-S +mp-1191874,Ba2FeS3,-5.7115994821000005,-1.5920460336,0.2139517154,0.2139517154,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Fe-S,24.0,A2BC3_oP24_62_2c_c_3c:Ba-Fe-S +mp-583509,Ba5(FeS2)9,-6.2195597153,-1.2107733655,0.0722531161,0.0722531161,GGA,P4/ncc,A5B9C18_tP128_130_5c_b4e_f4g:Ba-Fe-S,128.0,"Invalid WP multiplicities - A5B9C18_tP128_130_16c_4b23e_7f51g:Ba-Fe-S, expected Ba8Fe25S109 to be Ba5(FeS2)9" +mp-673874,Ba9(NdS6)2,-5.6228786483,-2.2992061384,0.0448897867,0.0448897867,GGA,C2/m,A9B2C12_mC46_12_agij_h_2i2j:Ba-Nd-S,23.0,"Invalid WP multiplicities - A9B2C12_mC46_12_a2g2i3j_h_4i7j:Ba-Nd-S, expected Ba21(NdS18)2 to be Ba9(NdS6)2" +mp-866306,Ba(NdS2)2,-6.3763784579,-2.3762257046,0.0,-0.0239822732,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Nd-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Nd-S +mp-34459,Ba(NdS2)2,-6.32405679,-2.3239040368,0.0523216679,0.0283393946,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Ba-Nd-S +mp-1196681,Ba6Fe25S27,-6.6825463217,-0.9075717304,0.1233403011,0.1233403011,GGA,Pm-3m,A6B25C27_cP58_221_e_bm_afgh:Ba-Fe-S,58.0,A6B25C27_cP58_221_e_bm_afgh:Ba-Fe-S +mp-16533,BaNd2FeS5,-6.4765485767,-1.964599649,0.0520014444,0.0520014444,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-Nd-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-Nd-S +mp-1191906,Nd4FeS7,-6.6362848017000005,-1.9281381343,0.1657853125,0.1657853125,GGA,P2_1,AB4C7_mP24_4_a_4a_7a:Fe-Nd-S,24.0,AB4C7_hP24_173_a_bc_b2c:Fe-Nd-S +mp-618964,Ba5Fe4S11,-5.9183454068,-1.4695500030000002,0.1014852212,0.1014852212,GGA,Pmn2_1,A5B4C11_oP40_31_a2b_2ab_3a4b:Ba-Fe-S,40.0,"Invalid WP multiplicities - A5B4C11_oP40_31_2a5b_2a2b_6a14b:Ba-Fe-S, expected Ba6Fe3S17 to be Ba5Fe4S11" +mp-27489,Ba6Fe8S15,-6.1841293907,-1.310999483,0.1067800245,0.1067800245,GGA,I4/m,A6B8C15_tI58_87_eh_i_achi:Ba-Fe-S,29.0,A6B8C15_tI58_87_eh_i_achi:Ba-Fe-S +mp-1185051,KCe3,-4.0113092525,0.7161073505000001,0.7161073505000001,0.7161073505000001,GGA,Pm-3m,A3B_cP4_221_c_a:Ce-K,4.0,A3B_cP4_221_c_a:Ce-K +mp-1212039,K2CeBr5,-4.2253670834,-2.2354884961,0.0,-0.0373331566,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Br-Ce-K,32.0,A5BC2_oP32_62_3cd_c_d:Br-Ce-K +mp-571440,K2CuBr3,-3.3998716337,-1.5700233747,0.0,-0.0030751254,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Br-Cu-K,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_7c_c_6c:Br-Cu-K, expected K6CuBr7 to be K2CuBr3" +mp-1185298,K3Ce,-1.68429554,0.631775959,0.631775959,0.631775959,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-K,4.0,AB3_tI8_139_a_bd:Ce-K +mp-1185353,K3Ce,-1.5051393875,0.8109321115,0.8109321115,0.8109321115,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ce-K,8.0,AB3_hP8_194_c_h:Ce-K +mp-1110927,K3CeBr6,-3.9688961,-2.1106505024,0.0918676368,0.0918676368,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-Ce-K,10.0,A6BC3_cF40_225_e_a_bc:Br-Ce-K +mp-1184878,K3Cu,-1.518674125,0.3389267527,0.3389267527,0.3389267527,GGA,Pm-3m,AB3_cP4_221_a_c:Cu-K,4.0,AB3_cP4_221_a_c:Cu-K +mp-1112553,K2CeCuBr6,-3.96770977,-1.8105834001,0.0897216618,0.0897216618,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Cu-K,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ce-Cu-K +mp-569209,SbAsPCl13,-3.5810498947,-1.191524974,0.0,-0.0554245747,GGA,Cmc2_1,AB13CD_oC64_36_a_5a4b_a_a:As-Cl-P-Sb,32.0,"Invalid WP multiplicities - AB13CD_oC64_36_a_9a12b_a_a:As-Cl-P-Sb, expected SbAsPCl33 to be SbAsPCl13" +mp-23230,PCl3,-3.9011690725,-1.1614409508,0.0,-0.1843167737,GGA,Pnma,A3B_oP16_62_cd_c:Cl-P,16.0,"Invalid WP multiplicities - A3B_oP16_62_c2d_c:Cl-P, expected PCl5 to be PCl3" +mp-569410,PCl5,-3.522799435,-1.0801351339,0.0055583963,-0.3058411667,GGA,C2/m,A5B_mC36_12_a3i2j_di:Cl-P,18.0,"Invalid WP multiplicities - A5B_mC36_12_a6i7j_di:Cl-P, expected P3Cl41 to be PCl5" +mp-23228,PCl5,-3.5283578313,-1.0856935301,0.0,-0.3113995629,GGA,P4/n,A5B_tP24_85_2c2g_ac:Cl-P,24.0,A5B_tP24_85_2c2g_ac:Cl-P +mp-27786,SbAs2Cl13,-3.4515983375,-1.1092099231,0.0,-0.0236917505,GGA,Cmc2_1,A2B13C_oC64_36_2a_5a4b_a:As-Cl-Sb,32.0,"Invalid WP multiplicities - A2B13C_oC64_36_4a_5a7b_a:As-Cl-Sb, expected SbAs4Cl19 to be SbAs2Cl13" +mp-1188913,CsS3,-4.2459940537,-0.9198060606,0.0,-0.0641142457,GGA,P-1,AB3_aP16_2_2i_6i:Cs-S,16.0,AB3_aP16_2_2i_6i:Cs-S +mp-540703,Cs2S,-3.10245567,-1.126704133,0.0,-0.3369570226,GGA,Pnma,A2B_oP12_62_2c_c:Cs-S,12.0,A2B_oP12_62_2c_c:Cs-S +mp-1077814,Cs2S,-3.03573085,-1.059979313,0.06672482,-0.2702322026,GGA,P6_3/mmc,A2B_hP6_194_ac_d:Cs-S,6.0,A2B_hP6_194_ac_d:Cs-S +mp-1193140,Cs2S5,-4.1883697996,-0.9779335027,0.0,-0.0133555982,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:Cs-S,28.0,A2B5_oP28_19_2a_5a:Cs-S +mp-1190817,CsEuAsS3,-6.1035700037,-1.4000913075,0.0,-0.0561969838,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Cs-Eu-S,24.0,ABCD3_mP24_14_e_e_e_3e:As-Cs-Eu-S +mp-1079600,Cs2S3,-3.947878674,-1.107847805,0.0,-0.0196811488,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:Cs-S,10.0,A2B3_oC20_36_2a_ab:Cs-S +mp-650280,Cs2As8S13,-4.6629309961,-0.6265135938,0.0,-0.0609089447,GGA,Pbcn,A8B2C13_oP184_60_8d_2d_13d:As-Cs-S,184.0,"Invalid WP multiplicities - A8B2C13_oP184_60_57d_7d_97d:As-Cs-S, expected Cs7As57S97 to be Cs2As8S13" +mp-1076928,CsEuS2,-6.6092994825,-1.752973506,0.043065025,0.043065025,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Eu-S,4.0,ABC2_hR12_166_a_b_c:Cs-Eu-S +mp-1080683,CsEuS2,-6.6086610562,-1.7523350798,0.0437034512,0.0437034512,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Eu-S,8.0,ABC2_hP8_194_c_a_f:Cs-Eu-S +mp-29266,CsS,-3.700546785,-1.1846206655,0.0,-0.0697017375,GGA,Immm,AB_oI8_71_e_g:Cs-S,4.0,AB_oI8_71_e_g:Cs-S +mp-1057486,CsS,-3.16750008,-0.6515739605,0.5330467050000001,0.4633449675,GGA,Pm-3m,AB_cP2_221_a_b:Cs-S,2.0,AB_cP2_221_a_b:Cs-S +mp-1102917,EuAsS,-7.8061391592,-1.4552824685,0.1496884625,0.1496884625,GGA,Pnma,ABC_oP12_62_c_c_c:As-Eu-S,12.0,ABC_oP12_62_c_c_c:As-Eu-S +mp-559134,Eu3(AsS4)2,-6.9739750031,-1.3446795304,0.0,-0.0010205387,GGA,R-3c,A2B3C8_hR78_167_c_e_cf:As-Eu-S,26.0,"Invalid WP multiplicities - A2B3C8_hR78_167_c_e_4c5f:As-Eu-S, expected Eu3(AsS19)2 to be Eu3(AsS4)2" +mp-29455,Ga4GeO8,-6.5646008577,-2.2331453473,0.0,-0.0076558364,GGA,C2/m,A4BC8_mC26_12_2i_a_4i:Ga-Ge-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_2i_a_5i:Ga-Ge-O, expected Ga4GeO10 to be Ga4GeO8" +mp-1176435,MnGaO3,-7.467511213,-2.0614757233,0.0807459092,0.0807459092,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_bf:Ga-Mn-O,10.0,ABC3_hP10_194_c_a_bf:Ga-Mn-O +mp-1044399,Mn(GeO3)2,-7.2189960214,-1.8758623248,0.1116444293,0.1116444293,GGA+U,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ge-Mn-O,36.0,A2BC6_mP36_14_2e_e_6e:Ge-Mn-O +mp-1043383,Mn(GeO3)2,-7.2471651,-1.9040314034,0.0834753506,0.0834753506,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:Ge-Mn-O,36.0,A2BC6_mC36_15_f_e_3f:Ge-Mn-O +mp-1106201,MnGeO3,-7.849491123,-2.1244692668,0.0,-0.0202591756,GGA+U,C2/c,ABC3_mC40_15_f_2e_3f:Ge-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_4e_3f:Ge-Mn-O, expected Mn2GeO3 to be MnGeO3" +mp-643577,MnGeO3,-7.8467563688,-2.1217345126,0.0027347542,-0.0175244213,GGA+U,Pbca,ABC3_oP80_61_2c_2c_6c:Ge-Mn-O,80.0,ABC3_oP80_61_2c_2c_6c:Ge-Mn-O +mp-20798,MnGeO3,-7.832737924,-2.1077160678,0.016753199,-0.0035059766,GGA+U,R-3,ABC3_hR30_148_c_c_f:Ge-Mn-O,10.0,ABC3_hR30_148_c_c_f:Ge-Mn-O +mp-1183980,GaGeO3,-5.900624318,-1.4023863158,0.6725344789000001,0.6725344789000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ga-Ge-O,5.0,ABC3_cP5_221_a_b_c:Ga-Ge-O +mp-1172871,Mn7GeO12,-8.458824425,-2.0529544533,0.0,-0.0108247217,GGA+U,I4_1/acd,AB7C12_tI160_142_a_bcef_3g:Ge-Mn-O,80.0,"Invalid WP multiplicities - AB7C12_tI160_142_a_4b5c7e7f_30g:Ge-Mn-O, expected Mn42GeO120 to be Mn7GeO12" +mp-1211638,Mn3Ga2(GeO4)3,-7.4857527412,-2.1471734402,0.0136185213,0.0136185213,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Ga-Ge-Mn-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Ga-Ge-Mn-O +mp-21877,Mn2GeO4,-8.1528285221,-2.047998053,0.0674787646,0.0351528929,GGA+U,Pbam,AB2C4_oP14_55_a_h_gh:Ge-Mn-O,14.0,AB2C4_oP14_55_a_h_gh:Ge-Mn-O +mp-20223,Mn2GeO4,-8.2203072868,-2.1154768176,0.0,-0.0323258718,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_2cd:Ge-Mn-O, expected Mn4GeO4 to be Mn2GeO4" +mp-22781,Mn2GeO4,-8.1891206986,-2.0842902294,0.0311865882,-0.0011392836,GGA+U,Imma,AB2C4_oI56_74_h_aeg_2ehj:Ge-Mn-O,28.0,AB2C4_oI56_74_h_aeg_2ehj:Ge-Mn-O +mp-1110570,Na3GaF6,-4.799837744,-2.9533831732,0.0408703477,0.0408703477,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-Na,10.0,A6BC3_cF40_225_e_a_bc:F-Ga-Na +mp-558924,Na5Ga3F14,-4.9444144214,-3.0145225996,0.0,-0.066942722,GGA,P2_1/c,A14B3C5_mP44_14_7e_abc_d2e:F-Ga-Na,44.0,"Invalid WP multiplicities - A14B3C5_mP44_14_23e_2a2bc_2d6e:F-Ga-Na, expected Na14Ga5F46 to be Na5Ga3F14" +mp-1111169,Na2GaHgF6,-4.185277108,-2.4407070301,0.2497650632,0.2497650632,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-Na +mp-1198174,CuMo3O11,-7.4584208707,-1.3884386824,0.2909643192,0.2909643192,GGA+U,Pnma,AB3C11_oP60_62_c_cd_5c3d:Cu-Mo-O,60.0,AB3C11_oP60_62_c_cd_5c3d:Cu-Mo-O +mp-5511,Cu6Mo5O18,-7.3011391216,-1.5127292122,0.0374933023,0.0374933023,GGA+U,C2/c,A6B5C18_mC116_15_3f_e2f_9f:Cu-Mo-O,58.0,"Invalid WP multiplicities - A6B5C18_mC116_15_3f_e2f_10f:Cu-Mo-O, expected Cu6(MoO4)5 to be Cu6Mo5O18" +mp-1041001,CuSbO4,-5.8432038942,-1.174043435,0.2298859411,0.2298859411,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-Sb,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-Sb, expected Cu6Sb5O26 to be CuSbO4" +mp-1193545,Cu(SbO2)2,-6.0717370718,-1.4797422154,0.0959775264,0.0959775264,GGA,P4_2bc,AB4C2_tP28_106_b_2c_c:Cu-O-Sb,28.0,AB4C2_tP28_106_b_2c_c:Cu-O-Sb +mp-756132,Cu(SbO2)2,-6.0721181229,-1.4801232664,0.0955964754,0.0955964754,GGA,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Cu-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_tP28_135_d_2g3h_h:Cu-O-Sb, expected Cu(SbO5)2 to be Cu(SbO2)2" +mp-1042691,Cu3(SbO3)4,-6.1733510016,-1.532619975,0.0237260456,0.0237260456,GGA,Im-3,A3B12C4_cI38_204_b_g_c:Cu-O-Sb,19.0,A3B12C4_cI38_204_b_g_c:Cu-O-Sb +mp-608522,Sb2Mo10O31,-8.2053745663,-1.9248663424,0.0111671813,0.0111671813,GGA+U,Pma2,A10B31C2_oP86_28_2c4d_3c14d_2c:Mo-O-Sb,86.0,"Invalid WP multiplicities - A10B31C2_oP86_28_4c14d_6c54d_3c:Mo-O-Sb, expected Sb3(Mo16O57)2 to be Sb2Mo10O31" +mp-1193763,Cu3Mo2O9,-7.0831242979,-1.4753301099,0.0292981695,0.0292981695,GGA+U,P-1,A3B2C9_aP28_2_3i_2i_9i:Cu-Mo-O,28.0,A3B2C9_aP28_2_3i_2i_9i:Cu-Mo-O +mp-649957,Cu3Mo2O9,-7.085970867,-1.4781766790000002,0.0264516004,0.0264516004,GGA+U,Pna2_1,A3B2C9_oP56_33_3a_2a_9a:Cu-Mo-O,56.0,"Invalid WP multiplicities - A3B2C9_oP56_33_10a_6a_33a:Cu-Mo-O, expected Cu10(Mo2O11)3 to be Cu3Mo2O9" +mp-639719,Cu3Mo2O9,-7.0803043016,-1.4725101137,0.0321181657,0.0321181657,GGA+U,Pnma,A3B2C9_oP56_62_a2c_2c_5c2d:Cu-Mo-O,56.0,"Invalid WP multiplicities - A3B2C9_oP56_62_3a7c_7c_18c13d:Cu-Mo-O, expected Cu10Mo7O44 to be Cu3Mo2O9" +mp-557416,Sb2MoO6,-7.2732261794,-1.8528056397,0.0468886208,0.0468886208,GGA+U,P-1,AB6C2_aP36_2_2i_12i_4i:Mo-O-Sb,36.0,"Invalid WP multiplicities - AB6C2_aP36_2_3i_23i_8i:Mo-O-Sb, expected Sb8Mo3O23 to be Sb2MoO6" +mp-1192830,Cu3(MoO5)2,-6.9607421143,-1.3970216248,0.0336806069,0.0336806069,GGA+U,P2_1/c,A3B2C10_mP30_14_ae_e_5e:Cu-Mo-O,30.0,A3B2C10_mP30_14_ae_e_5e:Cu-Mo-O +mp-558286,CuSb(MoO4)2,-7.5211053963,-1.7300205779,0.0436352089,0.0436352089,GGA+U,C2/c,AB2C8D_mC48_15_c_f_4f_e:Cu-Mo-O-Sb,24.0,"Invalid WP multiplicities - AB2C8D_mC48_15_a_f_13f_e:Cu-Mo-O-Sb, expected CuSb(MoO13)2 to be CuSb(MoO4)2" +mp-622628,Cu2SbO5,-4.7579384725,-0.1253312055,1.1758403979,1.1758403979,GGA,P1,A2B5C_aP8_1_2a_5a_a:Cu-O-Sb,8.0,A2B5C_aP8_1_2a_5a_a:Cu-O-Sb +mp-2214791,Cu3(MoO3)4,-7.6991832911,-1.6444209234,0.0176339023,0.0176339023,GGA+U,C2/m,A3B4C12_mC38_12_abc_ef_2i2j:Cu-Mo-O,19.0,"Invalid WP multiplicities - A3B4C12_aP19_2_bcd_aefg_11i:Cu-Mo-O, expected Cu3(Mo2O11)2 to be Cu3(MoO3)4" +mp-1043118,Cu3(MoO3)4,-7.7042748605,-1.6495124929,0.0125423328,0.0125423328,GGA+U,R-3,A3B4C12_hR57_148_d_ae_2f:Cu-Mo-O,19.0,"Invalid WP multiplicities - A3B4C12_aP19_2_bcd_aefg_11i:Cu-Mo-O, expected Cu3(Mo2O11)2 to be Cu3(MoO3)4" +mp-1343618,Cu3(MoO3)4,-7.6894098137,-1.6346474461,0.0274073797,0.0274073797,GGA+U,Im-3,A3B4C12_cI38_204_b_c_g:Cu-Mo-O,19.0,A3B4C12_cI38_204_b_c_g:Cu-Mo-O +mp-1188790,Cu(SbO3)2,-6.3084402844,-1.6376245714,0.00264449,-0.0968500356,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Cu-O-Sb,18.0,AB6C2_mP18_14_a_3e_e:Cu-O-Sb +mp-554658,Cu(SbO3)2,-6.3103445128,-1.6395287997,0.0007402617,-0.0987542639,GGA,Pnnm,AB6C2_oP18_58_a_gh_e:Cu-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_oP18_58_a_4g4h_e:Cu-O-Sb, expected Cu(SbO12)2 to be Cu(SbO3)2" +mp-5831,Cu(SbO3)2,-6.3110847744,-1.6402690614000002,0.0,-0.0994945256,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cu-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_f2j_e:Cu-O-Sb, expected Cu(SbO5)2 to be Cu(SbO3)2" +mp-1041732,CuMo2O7,-7.6924125877,-1.6506798008,0.0784273546,0.0784273546,GGA+U,P2/c,AB2C7_mP60_13_eg_3g_f10g:Cu-Mo-O,60.0,"Invalid WP multiplicities - AB2C7_mP60_13_2e3g_9g_2f38g:Cu-Mo-O, expected Cu4(Mo3O13)3 to be CuMo2O7" +mp-541991,CuMoO4,-7.3600540792,-1.5714521417,0.0267090027,0.0267090027,GGA+U,P-1,ABC4_aP36_2_3i_3i_12i:Cu-Mo-O,36.0,"Invalid WP multiplicities - ABC4_aP36_2_4i_6i_24i:Cu-Mo-O, expected Cu2(MoO4)3 to be CuMoO4" +mp-619545,CuMoO4,-7.3667946533,-1.5781927158,0.0199684285,0.0199684285,GGA+U,P-1,ABC4_aP36_2_3i_3i_12i:Cu-Mo-O,36.0,"Invalid WP multiplicities - ABC4_aP36_2_6i_5i_22i:Cu-Mo-O, expected Cu6Mo5O22 to be CuMoO4" +mp-560888,CuMoO4,-7.3503082058,-1.5617062683,0.036454876,0.036454876,GGA+U,P-1,ABC4_aP12_2_i_i_4i:Cu-Mo-O,12.0,"Invalid WP multiplicities - ABC4_aP12_2_i_i_6i:Cu-Mo-O, expected CuMoO6 to be CuMoO4" +mp-1191323,CuMoO4,-7.35447626,-1.5658743225,0.0322868219,0.0322868219,GGA+U,P-1,ABC4_aP24_2_2i_2i_8i:Cu-Mo-O,24.0,ABC4_aP24_2_2i_2i_8i:Cu-Mo-O +mp-558040,CuMoO4,-7.3620391271,-1.5734371896,0.0247239548,0.0247239548,GGA+U,P2_1/c,ABC4_mP48_14_2e_2e_8e:Cu-Mo-O,48.0,"Invalid WP multiplicities - ABC4_mP48_14_4e_4e_29e:Cu-Mo-O, expected Cu4Mo4O29 to be CuMoO4" +mp-1047798,CuMoO4,-7.3220914481,-1.5334895106,0.0646716337,0.0646716337,GGA+U,P2_1/c,ABC4_mP48_14_2e_2e_8e:Cu-Mo-O,48.0,"Invalid WP multiplicities - ABC4_mP48_14_6e_5e_26e:Cu-Mo-O, expected Cu6Mo5O26 to be CuMoO4" +mp-1232333,CuMoO4,-7.249521685,-1.4609197475,0.1372413969,0.1372413969,GGA+U,I-4m2,ABC4_tI12_119_a_c_ef:Cu-Mo-O,6.0,"Invalid WP multiplicities - ABC4_tI12_119_a_c_2e2f:Cu-Mo-O, expected CuMoO8 to be CuMoO4" +mp-25264,Sb(MoO4)2,-7.7052893218,-1.7603973991,0.1413506437,0.1413506437,GGA+U,C2/c,A2B8C_mC44_15_f_4f_e:Mo-O-Sb,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_11f_e:Mo-O-Sb, expected Sb(MoO11)2 to be Sb(MoO4)2" +mp-650741,Cu4Mo5O17,-7.5653441037,-1.6146215913000002,0.0327762205,0.0327762205,GGA+U,P-1,A4B5C17_aP52_2_4i_5i_17i:Cu-Mo-O,52.0,"Invalid WP multiplicities - A4B5C17_aP52_2_6i_10i_32i:Cu-Mo-O, expected Cu3Mo5O16 to be Cu4Mo5O17" +mp-1211803,K3Au3Br8,-3.0515722032,-1.2246386689,0.0,-0.0036514392,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-Br-K,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-Br-K +mp-1112174,KAuBr3,-2.96675448,-1.1580812926,0.0463294751,0.0463294751,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-Br-K,5.0,AB3C_cP5_221_b_c_a:Au-Br-K +mp-1111605,K2RbAuBr6,-2.908436805,-1.3290984104,0.204282191,0.204282191,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Rb +mp-1114125,KRb2AuBr6,-2.95300862,-1.3866567128,0.146705642,0.146705642,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-K-Rb +mp-1111500,K3AuBr6,-2.936474645,-1.3441497629,0.1784323208,0.1784323208,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-Br-K,10.0,AB6C3_cF40_225_a_e_bc:Au-Br-K +mp-29694,KAuBr4,-2.9232780429,-1.1572123318,0.0,-0.0537135171,GGA,P2_1/c,AB4C_mP24_14_ab_4e_e:Au-Br-K,24.0,AB4C_mP24_14_ad_4e_e:Au-Br-K +mp-1097247,KRbAu2,-2.012680545,0.1469937099,0.4303631778,0.4303631778,GGA,Immm,A2BC_oI8_71_e_a_b:Au-K-Rb,4.0,A2BC_oI8_71_e_a_b:Au-K-Rb +mp-1184997,KRbAu2,-2.4305086875,-0.2708344326,0.0125350353,0.0125350353,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-K-Rb,4.0,A2BC_cF16_225_c_a_b:Au-K-Rb +mp-11639,Rb2GeS3,-4.3626193442,-1.1970450774,0.0,-0.1151610692,GGA,C2/m,AB2C3_mC24_12_i_2i_g2i:Ge-Rb-S,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_2i_g3i:Ge-Rb-S, expected Rb2GeS4 to be Rb2GeS3" +mp-5546,Cu8GeS6,-4.516556067,-0.3675307059,0.044197865,0.044197865,GGA,Pmn2_1,A8BC6_oP30_31_2a3b_a_4ab:Cu-Ge-S,30.0,A8BC6_oP30_31_2a3b_a_4ab:Cu-Ge-S +mp-1025519,RbCu4S3,-4.3125882762,-0.5892494821,0.0,-0.0099654018,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-Rb-S,8.0,A4BC3_tP8_123_i_a_bh:Cu-Rb-S +mp-562230,Rb3(Cu4S3)2,-4.22069587,-0.6586985301,0.0,-0.0172857682,GGA,C2/m,A8B3C6_mC34_12_4i_ai_3i:Cu-Rb-S,17.0,"Invalid WP multiplicities - A8B3C6_mC34_12_7i_ai_5i:Cu-Rb-S, expected Rb3(Cu7S5)2 to be Rb3(Cu4S3)2" +mp-1147769,Cu2GeS4,-4.6766214386,-0.4813013439,0.0637557393,0.0637557393,GGA,I-42m,A2BC4_tI14_121_d_a_i:Cu-Ge-S,7.0,A2BC4_tI14_121_d_a_i:Cu-Ge-S +mp-541879,Rb2Ge2S5,-4.5987534611,-1.0554897734,0.0,-0.036128279,GGA,C2/c,A2B2C5_mC72_15_2f_2f_2e4f:Ge-Rb-S,36.0,A2B2C5_mC72_15_2f_2f_2e4f:Ge-Rb-S +mp-565590,Cu4GeS4,-4.6367699212,-0.4628083654,0.019936038,0.019936038,GGA,P2_1/c,A4BC4_mP72_14_8e_2e_8e:Cu-Ge-S,72.0,"Invalid WP multiplicities - A4BC4_mP72_14_32e_6e_31e:Cu-Ge-S, expected Cu32Ge6S31 to be Cu4GeS4" +mp-10985,RbCu3S2,-4.2074323108,-0.6155900081,0.0065141592,0.0065141592,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Cu-Rb-S,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_5i_i_2i:Cu-Rb-S, expected RbCu5S2 to be RbCu3S2" +mp-1219609,RbCuS3,-3.916825926,-0.4190078574,0.3655843407,0.3655843407,GGA,Pmm2,ABC3_oP5_25_a_b_b2c:Cu-Rb-S,5.0,ABC3_oP5_25_a_b_b2c:Cu-Rb-S +mp-1221082,Rb4Cu8(GeS4)3,-4.4717868887,-0.7598509029,0.0042612934,0.0042612934,GGA,I-4c2,A8B3C4D12_tI108_120_2i_be_gh_3i:Cu-Ge-Rb-S,54.0,"Invalid WP multiplicities - A8B3C4D12_tI108_120_2i_b2e_gh_4i:Cu-Ge-Rb-S, expected Rb4Cu8Ge5S16 to be Rb4Cu8(GeS4)3" +mp-15252,Cu2GeS3,-4.7766157025,-0.5714839032,3.02908e-05,-0.058379047,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cu-Ge-S,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_3a:Cu-Ge-S, expected Cu4GeS3 to be Cu2GeS3" +mp-1225871,Cu2GeS3,-4.773027835,-0.5678960357,0.0036181583,-0.0547911795,GGA,Fdd2,A2BC3_oF96_43_2ab_b_3b:Cu-Ge-S,24.0,"Invalid WP multiplicities - A2BC3_oF96_43_3a2b_b_11b:Cu-Ge-S, expected Cu7(GeS11)2 to be Cu2GeS3" +mp-1072589,Cu2GeS3,-4.7766459933,-0.5715141941,0.0,-0.0584093379,GGA,Imm2,A2BC3_oI12_44_c_a_bc:Cu-Ge-S,6.0,A2BC3_oI12_44_c_a_bc:Cu-Ge-S +mp-7795,RbSnS2,-4.2282629525,-0.9125115372,0.1213895191,0.1213895191,GGA,R3m,AB2C_hR12_160_a_2a_a:Rb-S-Sn,4.0,AB2C_hR12_160_a_2a_a:Rb-S-Sn +mp-999267,RbSnS2,-4.23255617,-0.9168047547,0.1170963016,0.1170963016,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Sn,4.0,AB2C_hR12_166_a_c_b:Rb-S-Sn +mp-685340,Cu4Sn15S32,-4.7119627626,-0.6157509931,0.0633594617,0.0633594617,GGA,Cm,A4B32C15_mC204_8_8a_32a16b_14a8b:Cu-S-Sn,102.0,"Invalid WP multiplicities - A4B32C15_mC204_8_8a_32a30b_14a13b:Cu-S-Sn, expected Cu2Sn10S23 to be Cu4Sn15S32" +mp-541380,RbSnS4,-4.5003050737,-0.9109875079,0.0004076305,-0.0316066991,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Rb-S-Sn,48.0,AB4C_mP48_14_2e_8e_2e:Rb-S-Sn +mp-557059,RbSnS4,-4.5007127043,-0.9113951384,0.0,-0.0320143296,GGA,Pbcn,AB4C_oP96_60_2d_8d_2cd:Rb-S-Sn,96.0,"Invalid WP multiplicities - AB4C_oP96_60_10d_57d_8c6d:Rb-S-Sn, expected Rb10Sn10S57 to be RbSnS4" +mp-10519,Cu2SnS3,-4.681345715,-0.5784565824,0.0,-0.0519039368,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-S-Sn,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_3a_a:Cu-S-Sn, expected Cu4SnS3 to be Cu2SnS3" +mp-1225965,Cu2SnS3,-4.6796762237,-0.5767870911,0.0016694913,-0.0502344456,GGA,Fdd2,A2B3C_oF96_43_2ab_3b_b:Cu-S-Sn,24.0,"Invalid WP multiplicities - A2B3C_oF96_43_3a2b_11b_b:Cu-S-Sn, expected Cu7(SnS11)2 to be Cu2SnS3" +mp-1225832,Cu2SnS3,-4.68004465,-0.5771555174,0.001301065,-0.0506028718,GGA,Imm2,A2B3C_oI12_44_c_ac_b:Cu-S-Sn,6.0,A2B3C_oI12_44_c_ac_b:Cu-S-Sn +mp-504536,Cu4SnS4,-4.5655437064,-0.4597439283,0.027628734,0.027628734,GGA,Pnma,A4B4C_oP36_62_2cd_2cd_c:Cu-S-Sn,36.0,"Invalid WP multiplicities - A4B4C_oP36_62_6c4d_6c4d_c:Cu-S-Sn, expected Cu14SnS14 to be Cu4SnS4" +mp-18006,Rb2Cu2SnS4,-4.2957719906000005,-0.8830105675000001,0.0106114846,0.0106114846,GGA,Ibam,A2B2C4D_oI36_72_f_j_k_a:Cu-Rb-S-Sn,18.0,A2B2C4D_oI36_72_f_j_k_a:Cu-Rb-S-Sn +mp-1184041,Cu(SnS2)4,-4.7553822169,-0.6608365996000001,0.0172619697,0.0172619697,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Cu-S-Sn,13.0,"Invalid WP multiplicities - AB8C4_cF52_216_a_4e_e:Cu-S-Sn, expected Cu(SnS4)4 to be Cu(SnS2)4" +mp-541407,RbCuSnS3,-4.471849625,-0.8887392586,0.0,-0.0251075566,GGA,C2/c,ABC3D_mC96_15_2ef_2f_6f_2f:Cu-Rb-S-Sn,48.0,ABC3D_mC96_15_2ef_2f_6f_2f:Cu-Rb-S-Sn +mp-29705,Rb6Sn2S7,-4.0863755818,-1.229209101,0.0,-0.0215397245,GGA,P2_12_12_1,A6B7C2_oP60_19_6a_7a_2a:Rb-S-Sn,60.0,"Invalid WP multiplicities - A6B7C2_oP60_19_10a_7a_3a:Rb-S-Sn, expected Rb10Sn3S7 to be Rb6Sn2S7" +mp-30230,Rb4SnS4,-3.97740401,-1.2576809419,0.0,-0.0398289057,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Rb-S-Sn,72.0,A4B4C_cP72_218_ei_ei_ac:Rb-S-Sn +mp-1220891,Rb2Sn4S9,-4.5894269413,-0.9075999835,0.0,-0.0244763652,GGA,P2_12_12_1,A2B9C4_oP120_19_4a_18a_8a:Rb-S-Sn,120.0,A2B9C4_oP120_19_4a_18a_8a:Rb-S-Sn +mp-530411,Cu4Sn7S16,-4.7321881994,-0.6341501425,0.017431048,0.017431048,GGA,Cm,A4B16C7_mC162_8_12a_24a12b_9a6b:Cu-S-Sn,81.0,"Invalid WP multiplicities - A4B16C7_mC162_8_12a_24a20b_9a10b:Cu-S-Sn, expected Cu12Sn29S64 to be Cu4Sn7S16" +mp-675137,Cu4Sn7S16,-4.7354504022,-0.6374123454,0.0141688452,0.0141688452,GGA,R3m,A4B16C7_hR81_160_4a_4a4b_a2b:Cu-S-Sn,27.0,A4B16C7_hR81_160_4a_4a4b_a2b:Cu-S-Sn +mp-1215454,YbSmS2,-6.005344525,-2.3725709878,0.01635248,0.01635248,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Sm-Yb,,A2BC_hR12_166_c_a_b:S-Sm-Yb +mp-1215576,YbSm4S5,-6.417730241,-2.3081100256,0.014055433,0.014055433,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:S-Sm-Yb,,"Invalid WP multiplicities - A5B4C_hR30_166_a4c_3c_b:S-Sm-Yb, expected Yb(Sm2S3)3 to be YbSm4S5" +mp-1215834,YbSm2CuS5,-5.8461577225,-1.8730203276,0.0998734085,0.0998734085,GGA,Pnma,AB5C2D_oP36_62_c_5c_2c_c:Cu-S-Sm-Yb,,AB5C2D_oP36_62_c_5c_2c_c:Cu-S-Sm-Yb +mp-1215516,Yb4SmS5,-5.601138839,-2.4452119801,0.009468778,0.009468778,GGA,Immm,A5BC4_oI20_71_a2e_c_2f:S-Sm-Yb,,"Invalid WP multiplicities - A5BC4_oI20_71_a4e_c_3f:S-Sm-Yb, expected Yb6SmS9 to be Yb4SmS5" +mp-1215492,Yb4SmS5,-5.599578511,-2.4436516521,0.011029106,0.011029106,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:S-Sm-Yb,,"Invalid WP multiplicities - A5BC4_tI20_139_a3e_b_3e:S-Sm-Yb, expected Yb6SmS7 to be Yb4SmS5" +mp-1215512,Yb4SmS5,-5.608304279,-2.4523774201,0.002303338,0.002303338,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:S-Sm-Yb,,"Invalid WP multiplicities - A5BC4_hR30_166_a2c_b_3c:S-Sm-Yb, expected Yb6SmS5 to be Yb4SmS5" +mp-1080149,Yb(CuS)2,-4.8135742740000005,-1.2113900032,0.0,-0.027336527,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-S-Yb,,A2B2C_hP5_164_d_d_a:Cu-S-Yb +mp-675677,Yb(SmS2)2,-6.3354903236,-2.4036931782,0.0010967168,0.0010967168,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Sm-Yb,,A4B2C_tI28_122_e_d_a:S-Sm-Yb +mp-1215523,YbSm3S4,-6.364271495,-2.3341257259,0.0,-0.0037526963,GGA,R-3m,A4B3C_hR24_166_2c_ac_b:S-Sm-Yb,,"Invalid WP multiplicities - A4B3C_hR24_166_4c_a2c_b:S-Sm-Yb, expected YbSm5S8 to be YbSm3S4" +mp-640381,YbCuS2,-4.7771281956,-1.2991995247,0.1726784952,0.1726784952,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Cu-S-Yb,,"Invalid WP multiplicities - AB2C_oP16_19_a_4a_a:Cu-S-Yb, expected YbCuS4 to be YbCuS2" +mp-19888,YbCuS2,-4.776738435,-1.2988097641,0.1730682558,0.1730682558,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cu-S-Yb,,"Invalid WP multiplicities - AB2C_oP16_62_c_6c_c:Cu-S-Yb, expected YbCuS6 to be YbCuS2" +mp-1202919,Yb11(Sm2S11)2,-5.3692129084,-1.9418633762,0.235105613,0.235105613,GGA,C2/m,A22B4C11_mC74_12_11i_2i_a5i:S-Sm-Yb,,A22B4C11_mC74_12_11i_2i_a5i:S-Sm-Yb +mp-675912,Yb2SmS4,-5.6424413279,-2.1647838761,0.1508114586,0.1508114586,GGA,I-42d,A4BC2_tI28_122_e_a_d:S-Sm-Yb,,A4BC2_tI28_122_e_a_d:S-Sm-Yb +mp-1215814,Yb(CuS)3,-4.7271535357,-0.9776424085,0.0148467619,0.0148467619,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-S-Yb,,A3B3C_hR42_148_f_f_c:Cu-S-Yb +mp-1215655,YbCu5S4,-4.57635573,-0.7182116202000001,0.0689302553,0.0689302553,GGA,C2/m,A5B4C_mC20_12_a2i_2i_d:Cu-S-Yb,,"Invalid WP multiplicities - A5B4C_mC20_12_a4i_4i_c:Cu-S-Yb, expected YbCu9S8 to be YbCu5S4" +mp-676562,Yb3Sm3S8,-5.9923296536,-2.287602355,0.0741486933,0.0741486933,GGA,C2,A8B3C3_mC28_5_4c_ac_bc:S-Sm-Yb,,"Invalid WP multiplicities - A8B3C3_mC28_5_6c_ac_b2c:S-Sm-Yb, expected Yb5(SmS4)3 to be Yb3Sm3S8" +mp-5081,SmCuS2,-5.9041984194,-1.6315252847,0.0,-0.0375120562,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cu-S-Sm,16.0,AB2C_mP16_14_e_2e_e:Cu-S-Sm +mp-1228999,AlCr4AgS8,-6.6040582871,-1.0124925265,0.0,-0.0142714304,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Ag-Al-Cr-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Ag-Al-Cr-S +mp-1232705,CrAgS2,-5.9193304637,-0.7297046620000001,0.0013124904,0.0013124904,GGA,Pm,ABC2_mP8_6_ab_ab_2a2b:Ag-Cr-S,16.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-1232472,CrAgS2,-5.9179021181,-0.7282763164,0.002740836,0.002740836,GGA,Pc,ABC2_mP8_7_a_a_2a:Ag-Cr-S,16.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-1232870,CrAgS2,-5.9201982063,-0.7305724045,0.0004447479,0.0004447479,GGA,Cm,ABC2_mC16_8_2a_2a_4a:Ag-Cr-S,16.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-1232653,CrAgS2,-5.9178486262,-0.7282228245,0.0027943279,0.0027943279,GGA,Cc,ABC2_mC16_9_2a_2a_4a:Ag-Cr-S,16.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-4182,CrAgS2,-5.9170732625,-0.7274474607,0.0035696917,0.0035696917,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-S,8.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-560676,CrAgS2,-5.7893541925,-0.5997283907000001,0.1312887617,0.1312887617,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-S,4.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-1065204,CrAgS2,-5.7218127125,-0.5321869107,0.1988302417,0.1988302417,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-S,4.0,ABC2_hR12_160_a_a_2a:Ag-Cr-S +mp-36310,Al2CrS4,-5.9669602886,-1.1541033461,0.0527963764,0.0527963764,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Al-Cr-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2hi:Al-Cr-S, expected Al2CrS6 to be Al2CrS4" +mp-5782,AlAgS2,-4.7216661812,-1.0089082895,0.0,-0.074618611,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Al-S,8.0,ABC2_tI16_122_a_b_d:Ag-Al-S +mp-7885,AlAgS2,-4.65124203,-0.9384841382,0.0704241513,-0.0041944598,GGA,P3m1,ABC2_hP4_156_a_b_ac:Ag-Al-S,4.0,ABC2_hP4_156_a_b_ac:Ag-Al-S +mp-1096820,AlAgS2,-4.6364692875,-0.9237113957,0.0851968938,0.0105782827,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Al-S,4.0,ABC2_hR12_160_a_a_2a:Ag-Al-S +mp-676751,Cr5AgS8,-6.9207813229,-0.9072533023,0.0115703262,0.0115703262,GGA,P2_1/m,AB5C8_mP28_11_e_a2ef_4e2f:Ag-Cr-S,28.0,"Invalid WP multiplicities - AB5C8_mP28_11_e_2a4e3f_8e7f:Ag-Cr-S, expected Cr12AgS22 to be Cr5AgS8" +mp-1228748,Al4CrS8,-5.5526179292,-1.112083335,0.133524571,0.133524571,GGA,F-43m,A4BC8_cF52_216_e_a_2e:Al-Cr-S,13.0,A4BC8_cF52_216_e_a_2e:Al-Cr-S +mp-1228170,Al5AgS8,-5.1323036021,-1.2285868815,0.0299184906,0.0299184906,GGA,F-43m,AB5C8_cF56_216_a_ce_2e:Ag-Al-S,14.0,AB5C8_cF56_216_a_ce_2e:Ag-Al-S +mp-1238824,Cr2AgS4,-6.1813532821,-0.6550032235000001,0.1804449507,0.1352468257,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Ag-Cr-S,28.0,AB2C4_aP28_2_2i_4i_8i:Ag-Cr-S +mp-1238831,Cr2AgS4,-6.31200726,-0.7856572013,0.0497909729,0.0045928479,GGA,P2/m,AB2C4_mP7_10_c_ae_mn:Ag-Cr-S,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_a_ce_2mn:Ag-Cr-S, expected Cr2AgS6 to be Cr2AgS4" +mp-1239173,Cr2AgS4,-6.2952457839,-0.7688957252,0.0665524489,0.0213543239,GGA,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ag-Cr-S,28.0,AB2C4_oP28_59_ab_ce_2eg:Ag-Cr-S +mp-1232346,Cr2AgS4,-6.2474694743,-0.7211194156,0.1143287586,0.0691306336,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ag-Cr-S,28.0,AB2C4_oP28_62_c_2c_4c:Ag-Cr-S +mp-1239177,Cr2AgS4,-6.2554773111,-0.7291272524,0.1063209218,0.0611227968,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ag-Cr-S,28.0,AB2C4_oP28_62_c_2c_4c:Ag-Cr-S +mp-1238827,Cr2AgS4,-6.3617982329,-0.8354481742000001,0.0,-0.045198125,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ag-Cr-S,14.0,AB2C4_cF56_227_a_d_e:Ag-Cr-S +mp-675325,Al(Ag3S2)3,-3.7469146681,-0.3683347268,0.0545414459,0.0545414459,GGA,P1,A9BC6_aP16_1_9a_a_6a:Ag-Al-S,16.0,A9BC6_aP16_1_9a_a_6a:Ag-Al-S +mp-28394,Tl2PSe3,-3.9959121385,-0.5581915997,0.0,-0.0104901383,GGA,P2_1/c,AB3C2_mP48_14_2e_6e_4e:P-Se-Tl,48.0,AB3C2_mP48_14_2e_6e_4e:P-Se-Tl +mp-15046,Sb2(PSe3)3,-4.4337214941,-0.4364991156,0.0,-0.0259607225,GGA,P2_1/c,A3B2C9_mP56_14_3e_2e_9e:P-Sb-Se,56.0,"Invalid WP multiplicities - A3B2C9_mP56_14_3e_2e_13e:P-Sb-Se, expected Sb2P3Se13 to be Sb2(PSe3)3" +mp-1187503,TlP,-3.6593260975,0.2286467292,0.2439292207,0.2439292207,GGA,P6_3mc,AB_hP4_186_b_b:P-Tl,4.0,AB_hP4_186_b_b:P-Tl +mp-1007776,TlP,-3.66852833,0.2194444967,0.2347269882,0.2347269882,GGA,F-43m,AB_cF8_216_a_c:P-Tl,2.0,AB_cF8_216_a_c:P-Tl +mp-27411,TlP5,-4.9303300992,-0.0254708192,0.0,-0.0254708192,GGA,Pmc2_1,A5B_oP24_26_3a3b2c_ab:P-Tl,24.0,A5B_oP24_26_3a3b2c_ab:P-Tl +mp-4160,Tl3PSe4,-3.8876467231,-0.577036991,0.0,-0.0305988752,GGA,Pnma,AB4C3_oP32_62_c_2cd_cd:P-Se-Tl,32.0,AB4C3_oP32_62_c_2cd_cd:P-Se-Tl +mp-1216583,TlP3,-4.3636582725,0.2869793942,0.3099031314,0.3099031314,GGA,R3m,A3B_hR12_160_3a_a:P-Tl,4.0,A3B_hR12_160_3a_a:P-Tl +mp-1105142,TlSb(PSe3)2,-4.3160360305,-0.4866642039,0.0,-0.0136573431,GGA,P2_1,A2BC6D_mP20_4_2a_a_6a_a:P-Sb-Se-Tl,20.0,A2BC6D_mP20_4_2a_a_6a_a:P-Sb-Se-Tl +mp-1104836,Re(ClO)3,-5.56320975,-0.8731807073000001,0.4818544721,0.4818544721,GGA,P-1,A3B3C_aP14_2_3i_3i_i:Cl-O-Re,14.0,A3B3C_aP14_2_3i_3i_i:Cl-O-Re +mp-1188914,Pb2Cl3O,-3.99556249,-1.0092970181,0.486533325,0.486533325,GGA,P-6,A3BC2_hP18_174_j2k_j_jk:Cl-O-Pb,18.0,A3BC2_hP18_174_j2k_j_jk:Cl-O-Pb +mp-1197057,Re3Cl9O5,-5.3140719447,-0.6844334123,0.8162189179,0.8162189179,GGA,Ama2,A9B5C3_oC68_40_3b3c_3bc_3b:Cl-O-Re,34.0,"Invalid WP multiplicities - A9B5C3_oC68_40_6b12c_6bc_6b:Cl-O-Re, expected Re3Cl15O4 to be Re3Cl9O5" +mp-758073,Re6Pb6O19,-7.9333710266,-1.7743345413,0.0083043699,0.0083043699,GGA,Pnn2,A19B6C6_oP62_34_3a8c_3c_2b2c:O-Pb-Re,62.0,A19B6C6_oP62_34_6a16c_6c_4b4c:O-Pb-Re +mp-558655,Re2PbO6,-8.401398328500001,-1.9256390277,0.0088806464,0.0088806464,GGA,R-3m,A6BC2_hR81_166_f2h_ac_g:O-Pb-Re,27.0,"Invalid WP multiplicities - A6BC2_hR81_166_6f9h_ac_g:O-Pb-Re, expected Re2PbO30 to be Re2PbO6" +mp-607436,ReCl3O2,-6.1477056417,-1.5004532104,0.0,-0.0349712596,GGA,Pnnm,A3B2C_oP24_58_e2g_h_g:Cl-O-Re,24.0,"Invalid WP multiplicities - A3B2C_oP24_58_4e7g_h_g:Cl-O-Re, expected ReCl11O2 to be ReCl3O2" +mp-1203866,Pb8Cl4O7,-5.2266116372,-1.4517619436,0.0761047892,0.0761047892,GGA,C2/c,A4B7C8_mC152_15_ae3f_7f_8f:Cl-O-Pb,76.0,A4B7C8_mC152_15_ce3f_7f_8f:Cl-O-Pb +mp-1219648,Re8Pb8O27,-7.8763228853,-1.7642766239,0.0614480025,0.0614480025,GGA,P-4m2,A27B8C8_tP43_115_aef3ghil_jk_jk:O-Pb-Re,43.0,"Invalid WP multiplicities - A27B8C8_tP43_115_a2e2f4g4h4il_3j2k_3j3k:O-Pb-Re, expected Re24Pb20O57 to be Re8Pb8O27" +mp-685698,Re8Pb8O27,-7.8612447606,-1.7491984992,0.0765261273,0.0765261273,GGA,R3m,A27B8C8_hR516_160_12a32b_8a8b_8a8b:O-Pb-Re,172.0,"Invalid WP multiplicities - A27B8C8_hR516_160_12a94b_8a21b_8a20b:O-Pb-Re, expected Re68Pb71O294 to be Re8Pb8O27" +mp-561236,Pb13(Cl3O5)2,-5.297990371,-1.5454897165,0.0,-0.0015131401,GGA,C2/c,A6B10C13_mC116_15_3f_5f_e6f:Cl-O-Pb,58.0,"Invalid WP multiplicities - A6B10C13_mC116_15_10f_19f_2e19f:Cl-O-Pb, expected Pb20Cl10O19 to be Pb13(Cl3O5)2" +mp-27343,Re4Cl8O9,-6.8662900886,-1.6716900685,0.0032301232,0.0032301232,GGA,P-1,A8B9C4_aP21_2_4i_a4i_2i:Cl-O-Re,21.0,"Invalid WP multiplicities - A8B9C4_aP21_2_6i_a6i_2i:Cl-O-Re, expected Re4Cl12O13 to be Re4Cl8O9" +mp-29305,Re2PbO8,-8.3067626291,-2.1090161627,0.0,-0.1780322881,GGA,P31m,A8BC2_hP33_157_4c2d_ab_2c:O-Pb-Re,33.0,"Invalid WP multiplicities - A8BC2_hP33_157_4c3d_ab_2c:O-Pb-Re, expected Re2PbO10 to be Re2PbO8" +mp-1193507,Re(Cl2O)2,-4.99143454,-0.7439986475,0.5421041043,0.5421041043,GGA,Pna2_1,A4B2C_oP28_33_4a_2a_a:Cl-O-Re,28.0,A4B2C_oP28_33_4a_2a_a:Cl-O-Re +mp-615141,Pb(ClO2)2,-4.5248376736,-0.6396269257,0.2017066757,0.2017066757,GGA,Ccce,A2B4C_oC28_68_e_i_a:Cl-O-Pb,14.0,A2B4C_oC28_68_e_i_a:Cl-O-Pb +mp-1102176,Re2Cl5O4,-6.49284037,-1.5911592323,0.0,-0.0099786955,GGA,P1,A5B4C2_aP11_1_5a_4a_2a:Cl-O-Re,11.0,A5B4C2_aP11_1_5a_4a_2a:Cl-O-Re +mp-1179677,Re2Cl5O4,-6.4891032527,-1.587422115,0.0037371173,-0.0062415782,GGA,P1,A5B4C2_aP11_1_5a_4a_2a:Cl-O-Re,11.0,A5B4C2_aP11_1_5a_4a_2a:Cl-O-Re +mp-607464,Re2Cl5O4,-6.48493597,-1.5832548323,0.0079043999999999,-0.0020742955,GGA,P-1,A5B4C2_aP22_2_5i_4i_2i:Cl-O-Re,22.0,"Invalid WP multiplicities - A5B4C2_aP22_2_10i_7i_4i:Cl-O-Re, expected Re4Cl10O7 to be Re2Cl5O4" +mp-27297,ReCl4O,-5.4656167658,-1.3347230098,0.0,-0.0265519488,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:Cl-O-Re,48.0,"Invalid WP multiplicities - A4BC_mP48_14_9e_3e_2e:Cl-O-Re, expected Re2(Cl3O)3 to be ReCl4O" +mp-974724,ReClO3,-7.685232689,-1.8586066933,0.0,-0.0418323836,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cl-O-Re,20.0,AB3C_mP20_14_e_3e_e:Cl-O-Re +mp-510030,Pb3(ClO)2,-5.1048950257,-1.5722676039,0.0,-0.0241289163,GGA,Pnma,A2B2C3_oP28_62_2c_d_3c:Cl-O-Pb,28.0,A2B2C3_oP28_62_2c_d_3c:Cl-O-Pb +mp-27942,Pb2ClO2,-5.131914702,-1.2984730575,0.1922628335,0.1922628335,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cl-O-Pb,5.0,AB2C2_tI10_139_a_d_e:Cl-O-Pb +mp-1095473,PbClO,-4.4742492142,-0.9716250671,0.4590935708,0.4590935708,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-O-Pb,12.0,ABC_oP12_62_c_c_c:Cl-O-Pb +mp-1210492,Pb(ClO)2,-4.0090064945,-0.548386932,0.5088292035,0.5088292035,GGA,Ccce,A2B2C_oC40_68_i_i_c:Cl-O-Pb,20.0,A2B2C_oC40_68_i_i_c:Cl-O-Pb +mp-1179612,Re3(Cl5O4)2,-4.8407837013,-0.2982857087,1.0383484898,1.0383484898,GGA,P4_12_12,A10B8C3_tP84_92_2a4b_4b_ab:Cl-O-Re,84.0,A10B8C3_tP84_92_2a4b_4b_ab:Cl-O-Re +mp-937876,Re3Pb3O10,-7.8808682858,-1.7597176684,0.0576591007,0.0576591007,GGA,Imm2,A10B3C3_oI128_44_8a8b6e_3c3d_3c3d:O-Pb-Re,64.0,"Invalid WP multiplicities - A10B3C3_oI128_44_8a8b17e_4c5d_5c4d:O-Pb-Re, expected Re3Pb3O14 to be Re3Pb3O10" +mp-677311,Re3Pb3O10,-7.8867260791,-1.7655754617,0.0518013074,0.0518013074,GGA,I4_1/amd,A10B3C3_tI128_141_4egi_ch_dh:O-Pb-Re,64.0,"Invalid WP multiplicities - A10B3C3_tI128_141_15e4g7i_2c3h_2d2h:O-Pb-Re, expected Re6Pb8O51 to be Re3Pb3O10" +mp-731725,Pb3ClO3,-5.2663292543,-1.2911086823,0.2188792093,0.2188792093,GGA,Pmc2_1,AB3C3_oP28_26_ab_ab2c_3a3b:Cl-O-Pb,28.0,AB3C3_oP28_26_ab_ab2c_3a3b:Cl-O-Pb +mp-560625,RePbClO4,-7.3797463893,-1.9808227093,0.0107490004,0.0107490004,GGA,Pmn2_1,AB4CD_oP14_31_a_2ab_a_a:Cl-O-Pb-Re,14.0,"Invalid WP multiplicities - AB4CD_oP14_31_a_4a2b_a_a:Cl-O-Pb-Re, expected RePbClO8 to be RePbClO4" +mp-672376,Re2Cl7O3,-5.81186195,-1.4227888564,0.0,-0.0052007462,GGA,P2_1/c,A7B3C2_mP48_14_7e_3e_2e:Cl-O-Re,48.0,"Invalid WP multiplicities - A7B3C2_mP48_14_25e_10e_6e:Cl-O-Re, expected Re6(Cl5O2)5 to be Re2Cl7O3" +mp-674367,Re6Pb5O19,-8.0741647145,-1.8335819154,0.0069724631,0.0069724631,GGA,P2/c,A19B5C6_mP60_13_3e8g_a2g_2f2g:O-Pb-Re,60.0,"Invalid WP multiplicities - A19B5C6_mP60_13_6e18g_a4g_3f6g:O-Pb-Re, expected Re5Pb3O14 to be Re6Pb5O19" +mp-1219547,Re4Pb4O13,-7.8776825271,-1.7378896573,0.0623938802,0.0623938802,GGA,F-43m,A13B4C4_cF84_216_afg_e_e:O-Pb-Re,21.0,A13B4C4_cF84_216_afg_e_e:O-Pb-Re +mp-726822,PbCl2O7,-4.655321253,-0.4516671161,0.2041053557,0.2041053557,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Cl-O-Pb,20.0,A2B7C_mC40_15_f_e3f_e:Cl-O-Pb +mp-28513,Pb(ClO3)2,-4.8424936,-0.7213988603,0.0,-0.0394153817,GGA,Fdd2,A2B6C_oF72_43_b_3b_a:Cl-O-Pb,18.0,"Invalid WP multiplicities - A2B6C_oF72_43_b_4b_a:Cl-O-Pb, expected Pb(ClO4)2 to be Pb(ClO3)2" +mp-732341,Pb7(ClO4)2,-5.4178714832,-1.3438060421,0.1292125559,0.1292125559,GGA,P2_1,A2B8C7_mP34_4_2a_8a_7a:Cl-O-Pb,34.0,A2B8C7_mP34_4_2a_8a_7a:Cl-O-Pb +mp-1199985,Pb7(ClO4)2,-5.4344635847,-1.3603981435,0.1126204544,0.1126204544,GGA,P2_1,A2B8C7_mP34_4_2a_8a_7a:Cl-O-Pb,34.0,A2B8C7_mP34_4_2a_8a_7a:Cl-O-Pb +mp-4759,ZrTe3O8,-6.8830266577,-2.0870993244,0.0,-0.0118197028,GGA,Ia-3,A8B3C_cI96_206_ce_d_a:O-Te-Zr,48.0,"Invalid WP multiplicities - A8B3C_cI96_206_c2e_d_a:O-Te-Zr, expected ZrTe3O14 to be ZrTe3O8" +mp-27808,Te6Cl2O11,-5.4926503884,-1.4415722566,0.0019310499,0.0019310499,GGA,Cmcm,A2B11C6_oC76_63_g_cf2h_fh:Cl-O-Te,38.0,"Invalid WP multiplicities - A2B11C6_oC76_63_g_cf3h_fh:Cl-O-Te, expected Te6Cl2O15 to be Te6Cl2O11" +mp-1101211,Zr(ClO4)4,-4.9363329171,-0.4082916481,0.4305234381,0.3968408926,GGA,Cc,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr,42.0,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr +mp-1178619,Zr(ClO4)4,-4.8493860193,-0.3213447502,0.517470336,0.4837877905,GGA,Cc,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr,42.0,"Invalid WP multiplicities - A4B16C_mC84_9_7a_31a_a:Cl-O-Zr, expected ZrCl7O31 to be Zr(ClO4)4" +mp-1196194,Zr(ClO4)4,-5.089556984,-0.5615157150000001,0.2772993712,0.2436168257,GGA,Cc,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr,42.0,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr +mp-1207478,Zr(ClO4)4,-5.3668563552,-0.8388150862,0.0,-0.0336825455,GGA,Cc,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr,42.0,A4B16C_mC84_9_4a_16a_a:Cl-O-Zr +mp-1202980,Zr2Te4Cl2O11,-6.8257083668,-2.2057465786,0.0,-0.0212450365,GGA,P-1,A2B11C4D2_aP38_2_2i_11i_4i_2i:Cl-O-Te-Zr,38.0,A2B11C4D2_aP38_2_2i_11i_4i_2i:Cl-O-Te-Zr +mp-8975,Hg3(AsO4)2,-5.0750323996,-1.2440487385,0.0,-0.03035046,GGA,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Hg-O,52.0,A2B3C8_mP52_14_2e_3e_8e:As-Hg-O +mp-734426,SrAsO5,-6.0925255513,-1.6522319206,0.3301868981,0.3301868981,GGA,Pbca,AB5C_oP56_61_c_5c_c:As-O-Sr,56.0,AB5C_oP56_61_c_5c_c:As-O-Sr +mp-1203433,Hg3AsO5,-4.4303360883,-1.0632690821,0.0,-0.0082500784,GGA,P2_1/c,AB3C5_mP36_14_e_3e_5e:As-Hg-O,36.0,AB3C5_mP36_14_e_3e_5e:As-Hg-O +mp-3810,Hg(AsO3)2,-5.8361521333,-1.4692577508,0.0,-0.0606220007,GGA,P-31m,A2BC6_hP9_162_c_b_k:As-Hg-O,9.0,A2BC6_hP9_162_c_b_k:As-Hg-O +mp-30284,HgAsO3,-5.326915277,-1.3663422963,0.0,-0.0358269166,GGA,P-31m,ABC3_hP10_162_c_e_k:As-Hg-O,10.0,ABC3_hP10_162_c_e_k:As-Hg-O +mp-771216,Sr3(AsO4)2,-6.7895152437,-2.6387285621,0.0633500248,-0.0303195277,GGA,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:As-O-Sr,52.0,"Invalid WP multiplicities - A2B8C3_mP52_14_3e_19e_5e:As-O-Sr, expected Sr5As3O19 to be Sr3(AsO4)2" +mp-771256,Sr3(AsO4)2,-6.8508295546,-2.7000428731,0.0020357138,-0.0916338387,GGA,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:As-O-Sr,52.0,"Invalid WP multiplicities - A2B8C3_mP52_14_3e_31e_9e:As-O-Sr, expected Sr9As3O31 to be Sr3(AsO4)2" +mp-755771,Sr3(AsO4)2,-6.8201934538,-2.6694067723,0.0326718146,-0.0609977379,GGA,P2_1/c,A2B8C3_mP26_14_e_4e_ae:As-O-Sr,26.0,"Invalid WP multiplicities - A2B8C3_mP26_14_e_15e_2a2e:As-O-Sr, expected Sr3AsO15 to be Sr3(AsO4)2" +mp-755082,Sr3(AsO4)2,-6.8528652685,-2.7020785869,0.0,-0.0936695525,GGA,R-3m,A2B8C3_hR39_166_c_ch_ac:As-O-Sr,13.0,"Invalid WP multiplicities - A2B8C3_hR39_166_c_c2h_ac:As-O-Sr, expected Sr3(AsO7)2 to be Sr3(AsO4)2" +mp-1201749,Sr2As2O7,-6.825068563,-2.5228826816,0.000195815,-0.0123293605,GGA,P4_1,A2B7C2_tP88_76_4a_14a_4a:As-O-Sr,88.0,A2B7C2_tP88_76_4a_14a_4a:As-O-Sr +mp-1196745,Sr2As2O7,-6.825264378,-2.5230784966,0.0,-0.0125251755,GGA,P4_3,A2B7C2_tP88_78_4a_14a_4a:As-O-Sr,88.0,A2B7C2_tP88_78_4a_14a_4a:As-O-Sr +mp-726670,Sr(AsO4)2,-5.8417557095,-1.2434611683,0.5842798711,0.5842798711,GGA,P-1,A2B8C_aP22_2_2i_8i_i:As-O-Sr,22.0,A2B8C_aP22_2_2i_8i_i:As-O-Sr +mp-541164,Hg9(AsO4)4,-4.5958919319,-1.1298017152,0.0127541128,0.0127541128,GGA,R3c,A4B9C16_hR174_161_ab_3b_a5b:As-Hg-O,58.0,A4B9C16_hR174_161_ab_3b_a5b:As-Hg-O +mp-978851,SrAsO3,-6.5149823,-2.2772467016,0.2456489545,0.2456489545,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-O-Sr,5.0,AB3C_cP5_221_b_c_a:As-O-Sr +mp-8299,Sr4As2O,-4.7098298443,-1.7065585108,0.0,-0.0481221035,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:As-O-Sr,7.0,A2BC4_tI14_139_e_a_ce:As-O-Sr +mp-754118,Sr(AsO3)2,-6.7544378267,-2.2335642121,0.0003415028,-0.0844459183,GGA,P-31m,A2B6C_hP9_162_c_k_b:As-O-Sr,9.0,A2B6C_hP9_162_c_k_b:As-O-Sr +mp-983061,Sr(AsO3)2,-6.7547793294,-2.2339057149,0.0,-0.0847874211,GGA,P6_3/mcm,A2B6C_hP18_193_d_k_a:As-O-Sr,18.0,A2B6C_hP18_193_d_k_a:As-O-Sr +mp-665922,SrHgO2,-5.014590235,-2.0429524248,0.0,-0.1847441956,GGA,R-3m,AB2C_hR12_166_a_c_b:Hg-O-Sr,4.0,AB2C_hR12_166_a_c_b:Hg-O-Sr +mp-28688,SrHgO2,-5.0145014567,-2.0428636465,8.87783e-05,-0.1846554173,GGA,R-3m,AB2C_hR12_166_a_c_b:Hg-O-Sr,12.0,AB2C_hR12_166_a_c_b:Hg-O-Sr +mp-971975,SrHgO3,-4.728247862,-1.3615998716,0.2727620682,0.2727620682,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hg-O-Sr,5.0,AB3C_cP5_221_b_c_a:Hg-O-Sr +mp-1196121,SrAsO4,-6.5132954676,-2.157401017,0.1554209381,0.1554209381,GGA,P-1,AB4C_aP96_2_8i_32i_8i:As-O-Sr,96.0,AB4C_aP96_2_8i_32i_8i:As-O-Sr +mp-1190936,HgAsO4,-5.091928965,-0.9670033625,0.2578280274,0.2578280274,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Hg-O,24.0,ABC4_mP24_14_e_e_4e:As-Hg-O +mp-1238093,HgAsO4,-5.0804095096,-0.9554839071,0.2693474828,0.2693474828,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Hg-O,24.0,ABC4_mP24_14_e_e_4e:As-Hg-O +mp-4445,Hg3AsO4,-4.2241729556,-1.0545586625,0.0055341756,-0.0253159697,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:As-Hg-O,32.0,"Invalid WP multiplicities - AB3C4_mP32_14_e_4e_7e:As-Hg-O, expected Hg4AsO7 to be Hg3AsO4" +mp-556339,Hg3AsO4,-4.2297071312,-1.0600928381,0.0,-0.0308501453,GGA,P2_1/c,AB3C4_mP64_14_2e_6e_8e:As-Hg-O,64.0,"Invalid WP multiplicities - AB3C4_mP64_14_7e_19e_32e:As-Hg-O, expected Hg19As7O32 to be Hg3AsO4" +mp-1190152,SrHgAs2O7,-6.1035125845,-1.9273097112,0.0165566857,0.0165566857,GGA,P-1,A2BC7D_aP22_2_2i_i_7i_i:As-Hg-O-Sr,22.0,A2BC7D_aP22_2_2i_i_7i_i:As-Hg-O-Sr +mp-30929,Hg4As2O7,-4.6378601644,-1.1640309914,0.0138500998,0.0138500998,GGA,Pnma,A2B4C7_oP52_62_2c_2d_3c2d:As-Hg-O,52.0,A2B4C7_oP52_62_2c_2d_3c2d:As-Hg-O +mp-1095560,Zr3Al3Ni3H2,-6.1936391773,-0.6476672218,0.0064437436,0.0064437436,GGA,P-62m,A3B2C3D3_hP11_189_g_c_ad_f:Al-H-Ni-Zr,11.0,A3B2C3D3_hP11_189_g_c_ad_f:Al-H-Ni-Zr +mp-1178617,Zr4Ni2H9,-5.6394295857,-0.5537222333,0.0429291555,0.0429291555,GGA,P-1,A9B2C4_aP30_2_9i_2i_4i:H-Ni-Zr,30.0,A9B2C4_aP30_2_9i_2i_4i:H-Ni-Zr +mp-29658,ZrNiH3,-5.438467611,-0.5372645220000001,0.0,-0.085508049,GGA,Cmcm,A3BC_oC20_63_cf_c_c:H-Ni-Zr,10.0,A3BC_oC20_63_cf_c_c:H-Ni-Zr +mp-1188036,ZrNiH,-6.4007187617,-0.49386431,0.0697816746,0.0697816746,GGA,Cmcm,ABC_oC12_63_c_c_c:H-Ni-Zr,6.0,ABC_oC12_63_c_c_c:H-Ni-Zr +mp-697624,Zr6Al2NiH10,-5.7214626129,-0.5380545829,0.1243745935,0.1243745935,GGA,P-62c,A2B10CD6_hP38_190_f_ag2h_b_gh:Al-H-Ni-Zr,38.0,A2B10CD6_hP38_190_f_ag2h_b_gh:Al-H-Ni-Zr +mp-998554,KAgCl3,-3.292681694,-1.3949687079,0.001687383,-0.117976956,GGA,P4mm,AB3C_tP5_99_a_ac_b:Ag-Cl-K,5.0,"Invalid WP multiplicities - AB3C_tP5_99_a_a2c_b:Ag-Cl-K, expected KAgCl5 to be KAgCl3" +mp-998750,KAgCl3,-3.294369077,-1.3966560909,0.0,-0.119664339,GGA,R3c,AB3C_hR30_161_a_b_a:Ag-Cl-K,10.0,AB3C_hR30_161_a_b_a:Ag-Cl-K +mp-2464440,KAgCl3,-3.290573376,-1.3928603899,0.003795701,-0.115868638,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-Cl-K,5.0,AB3C_cP5_221_b_c_a:Ag-Cl-K +mp-1112448,K2ScAgCl6,-4.338060502,-2.0903562058,0.0160618463,0.0160618463,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sc +mp-12735,KAg2,-2.2734646408,-0.0149609896,0.0,-0.0149609896,GGA,P6_3/mmc,A2B_hP12_194_ah_f:Ag-K,12.0,A2B_hP12_194_ah_f:Ag-K +mp-1206995,K2Ag,-1.506432,0.1780192991,0.1854997939,0.1854997939,GGA,P6/mmm,AB2_hP3_191_a_d:Ag-K,3.0,AB2_hP3_191_a_d:Ag-K +mp-1196072,K3ScCl6,-4.4992325487,-2.4237439581,0.0,-0.0373666213,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Sc,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Sc +mp-1110879,K3ScCl6,-4.445920112,-2.3704315214,0.0533124367,0.0159458155,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Sc,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Sc +mp-976592,K3Ag,-1.43144705,0.1094911611,0.1151015322,0.1151015322,GGA,Pm-3m,AB3_cP4_221_a_c:Ag-K,4.0,AB3_cP4_221_a_c:Ag-K +mp-1225341,Dy2FeSbO7,-7.8667730091,-2.7359169083,0.1288020084,0.1288020084,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Dy-Fe-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Dy-Fe-O-Sb, expected Dy2FeSbO13 to be Dy2FeSbO7" +mp-1225088,FeSbO4,-7.2166337778,-1.8190042286,0.0162454406,-0.0604161067,GGA+U,Cmm2,AB4C_oC36_35_2ab_3d3e_a2b:Fe-O-Sb,18.0,AB4C_oC36_35_2ab_3d3e_a2b:Fe-O-Sb +mp-674490,FeSbO4,-7.2328792183,-1.8352496692,0.0,-0.0766615472,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Fe-O-Sb,12.0,AB4C_oC12_65_a_gj_c:Fe-O-Sb +mp-761281,FeSbO4,-7.2327663308,-1.8351367817,0.0001128875,-0.0765486597,GGA+U,I4_1md,AB4C_tI24_109_a_2b_a:Fe-O-Sb,12.0,AB4C_tI24_109_a_2b_a:Fe-O-Sb +mp-1178209,FeSbO4,-7.2043114892,-1.80668194,0.0285677292,-0.0480938181,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Fe-O-Sb,12.0,AB4C_tI12_119_a_ef_c:Fe-O-Sb +mp-4189,Dy6FeSb2,-5.52246469,-0.5926041644,0.0074539264,0.0074539264,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Dy-Fe-Sb,9.0,A6BC2_hP9_189_fg_a_d:Dy-Fe-Sb +mp-21974,Dy3Fe5O12,-8.326252948,-2.5497163927,0.0216095497,0.0216095497,GGA+U,Ia-3d,A3B5C12_cI160_230_c_ad_h:Dy-Fe-O,80.0,A3B5C12_cI160_230_c_ad_h:Dy-Fe-O +mp-754951,Fe(SbO3)4,-6.6047155653,-1.6431690532,0.0616345339,0.0616345339,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Fe-O-Sb,17.0,AB12C4_aP17_1_a_12a_4a:Fe-O-Sb +mp-768638,Dy3Sb5O12,-7.358513633,-2.6672320703,0.0,-0.0680022846,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Dy-O-Sb,40.0,"Invalid WP multiplicities - A3B12C5_cI80_217_d_5g_2c2e:Dy-O-Sb, expected Dy3(SbO3)10 to be Dy3Sb5O12" +mp-1178366,Dy2SbO2,-7.687496182,-3.0403057135,0.0,-0.0292394178,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Dy-O-Sb,5.0,A2B2C_tI10_139_e_d_a:Dy-O-Sb +mp-1207184,DySbO3,-6.611775036,-1.8966041933,1.0392703892,1.0392703892,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Dy-O-Sb,5.0,AB3C_cP5_221_a_c_b:Dy-O-Sb +mp-556015,Dy9(SbO)5,-6.9462210024,-2.3757193541,0.0360903986,0.0360903986,GGA,P4/n,A9B5C5_tP38_85_c2g_cg_cg:Dy-O-Sb,38.0,"Invalid WP multiplicities - A9B5C5_tP38_85_2c7g_2c3g_2c2g:Dy-O-Sb, expected Dy15Sb5O7 to be Dy9(SbO)5" +mp-559626,Fe(SbO2)2,-6.7970248089,-1.5806278754,0.1279377193,0.0946314761,GGA+U,P2_1/c,AB4C2_mP28_14_e_4e_2e:Fe-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_mP28_14_e_15e_6e:Fe-O-Sb, expected Fe(Sb2O5)3 to be Fe(SbO2)2" +mp-601882,Fe(SbO2)2,-6.8238249686,-1.607428035,0.1011375596,0.0678313164,GGA+U,P4_2/m,AB4C2_tP28_84_i_2jk_2j:Fe-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_tP28_84_i_7j4k_4j:Fe-O-Sb, expected FeSb4O15 to be Fe(SbO2)2" +mp-601376,Fe(SbO2)2,-6.4851608179,-1.2687638843,0.4398017104,0.4064954671,GGA+U,P4_2/m,AB4C2_tP28_84_i_2jk_2j:Fe-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_tP28_84_i_7j4k_4j:Fe-O-Sb, expected FeSb4O15 to be Fe(SbO2)2" +mp-655085,Fe(SbO2)2,-6.7386342393,-1.5222373057,0.1863282889,0.1530220457,GGA+U,P4_2/m,AB4C2_tP28_84_i_2jk_2j:Fe-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_tP28_84_i_7j4k_4j:Fe-O-Sb, expected FeSb4O15 to be Fe(SbO2)2" +mp-22265,Fe(SbO2)2,-6.9249625282,-1.7085655946,0.0,-0.0333062432,GGA+U,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Fe-O-Sb,28.0,AB4C2_tP28_135_d_gh_h:Fe-O-Sb +mp-756971,Dy(FeO2)2,-8.2656002657,-2.3608025364,0.1061991511,0.1061991511,GGA+U,R-3m,AB2C4_hR21_166_a_c_2c:Dy-Fe-O,7.0,"Invalid WP multiplicities - AB2C4_hR21_166_a_c_4c:Dy-Fe-O, expected Dy(FeO4)2 to be Dy(FeO2)2" +mp-505009,Fe(SbO3)2,-7.0268418442,-1.8703800711,0.0,-0.0341003921,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Fe-O-Sb,36.0,AB6C2_tP18_136_a_fj_e:Fe-O-Sb +mp-1103799,Dy3SbO3,-7.8642035529,-3.179999568,0.0332771143,0.0332771143,GGA,C2/m,A3B3C_mC28_12_3i_3i_i:Dy-O-Sb,14.0,A3B3C_mC28_12_3i_3i_i:Dy-O-Sb +mp-504491,Dy6Fe16O,-6.5256022591,0.7834303109,1.1383396343,1.1383396343,GGA+U,Im-3m,A6B16C_cI46_229_e_ch_a:Dy-Fe-O,23.0,A6B16C_cI46_229_e_ch_a:Dy-Fe-O +mp-1213234,DySbO4,-7.6230373829,-2.8692802287,7.97183e-05,-0.1999192454,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Dy-O-Sb,24.0,AB4C_aP24_2_2i_8i_2i:Dy-O-Sb +mp-1236840,DySbO4,-7.6231171012,-2.8693599471,0.0,-0.1999989637,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Dy-O-Sb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_5e_e:Dy-O-Sb, expected DySbO5 to be DySbO4" +mp-22283,DyFeO3,-8.436198846,-2.8528240093,0.006325671,0.006325671,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Dy-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Dy-Fe-O +mp-769128,Dy2Sb2O7,-7.5146324173,-2.7784144956,0.1211793767,0.1211793767,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Dy-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ac_2e3h3j_2b2d:Dy-O-Sb, expected Dy(SbO5)2 to be Dy2Sb2O7" +mp-769138,Dy2Sb2O7,-7.5613717011,-2.8251537794,0.0744400929,0.0744400929,GGA,P3_121,A2B7C2_hP66_152_abc_7c_abc:Dy-O-Sb,66.0,"Invalid WP multiplicities - A2B7C2_hP66_152_3a3b3c_42c_2a3b2c:Dy-O-Sb, expected Dy4Sb3O28 to be Dy2Sb2O7" +mp-755316,Dy2Sb2O7,-7.4648794232,-2.7286615015,0.1709323708,0.1709323708,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-Sb, expected DySbO10 to be Dy2Sb2O7" +mp-1206546,Cs2AgF6,-3.9006078167,-2.1125817553,0.0,-0.2640141794,GGA,Fm-3m,AB2C6_cF36_225_a_c_e:Ag-Cs-F,9.0,AB2C6_cF36_225_a_c_e:Ag-Cs-F +mp-1112970,Cs3InF6,-4.654662072,-2.9639856069,0.0,-0.124592447,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-In,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-In +mp-561920,CsAgF3,-4.025127805,-2.1326487494,0.0,-0.05957316,GGA,I4/mcm,ABC3_tI20_140_d_a_bh:Ag-Cs-F,10.0,"Invalid WP multiplicities - ABC3_tI20_140_d_a_2b2h:Ag-Cs-F, expected CsAgF6 to be CsAgF3" +mp-1113588,Cs2InAgF6,-4.522919119,-2.6385272908,0.0,-0.0377810347,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-In,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-In +mp-1211988,InAg3F6,-4.137491323,-1.8656687685,0.008598786,0.008598786,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Ag-F-In,20.0,A3B6C_mP20_14_ae_3e_b:Ag-F-In +mp-1206163,InAg3F6,-3.99410163,-1.7222790755,0.151988479,0.151988479,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Ag-F-In,10.0,A3B6C_cF40_225_ac_e_b:Ag-F-In +mp-510565,Cs2AgF4,-4.0971147221,-2.3443609196,0.0,-0.0088735171,GGA,Cmce,AB2C4_oC28_64_a_d_df:Ag-Cs-F,14.0,AB2C4_oC28_64_a_d_df:Ag-Cs-F +mp-13649,Cs2AgF4,-4.0914087829,-2.3386549804,0.0057059393,-0.0031675779,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Ag-Cs-F,7.0,AB2C4_tI14_139_a_e_ce:Ag-Cs-F +mp-998322,CsInF3,-4.528598134,-2.6522935331,0.106408644,0.0795920307,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-In,5.0,AB3C_cP5_221_a_c_b:Cs-F-In +mp-1112960,CsInF3,-4.635006778,-2.7587021771,0.0,-0.0268166133,GGA,Fm-3m,AB3C_cF40_225_c_e_ab:Cs-F-In,10.0,AB3C_cF40_225_c_e_ab:Cs-F-In +mp-1225942,CsInAgF6,-4.4245944028,-2.4303148572,0.0143152689,0.0143152689,GGA,Imma,ABC6D_oI36_74_a_e_2ej_c:Ag-Cs-F-In,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Ag-Cs-F-In, expected CsInAgF12 to be CsInAgF6" +mp-1212636,GdMoO5,-9.5959526829,-2.5023504105,0.1082378922,0.1082378922,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Gd-Mo-O,28.0,ABC5_mP28_14_e_e_5e:Gd-Mo-O +mp-555761,Gd2Mo4O15,-9.4354028879,-2.4956326218,0.005667559,0.005667559,GGA+U,P-1,A2B4C15_aP63_2_3i_6i_a22i:Gd-Mo-O,63.0,"Invalid WP multiplicities - A2B4C15_aP63_2_4i_11i_a43i:Gd-Mo-O, expected Gd8Mo22O87 to be Gd2Mo4O15" +mp-704325,Gd4Mo7O27,-9.5397395203,-2.5454070221,0.0165009492,0.0165009492,GGA+U,C2/c,A4B7C27_mC304_15_4f_7f_27f:Gd-Mo-O,152.0,"Invalid WP multiplicities - A4B7C27_mC304_15_15f_26f_108f:Gd-Mo-O, expected Gd15(Mo13O54)2 to be Gd4Mo7O27" +mp-561584,Gd2GeO5,-10.4846053294,-3.296015843,0.0,-0.0187282261,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Gd-Ge-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_4e_e_19e:Gd-Ge-O, expected Gd4GeO19 to be Gd2GeO5" +mp-1204194,Gd3MoO7,-11.3189023275,-3.3460988903,0.0,-0.0126424703,GGA+U,P2_12_12_1,A3BC7_oP44_19_3a_a_7a:Gd-Mo-O,44.0,A3BC7_oP44_19_3a_a_7a:Gd-Mo-O +mp-704238,Gd2Mo5O18,-9.2580908628,-2.4012551895,0.0079211499,0.0079211499,GGA+U,Pbcn,A2B5C18_oP100_60_d_c2d_9d:Gd-Mo-O,100.0,"Invalid WP multiplicities - A2B5C18_oP100_60_d_4c10d_62d:Gd-Mo-O, expected Gd(Mo6O31)2 to be Gd2Mo5O18" +mp-1224706,Gd2GeMoO8,-9.8385561775,-2.9056868329,0.0,-0.0096884051,GGA+U,I-4,A2BCD8_tI24_82_ac_b_d_2g:Gd-Ge-Mo-O,12.0,"Invalid WP multiplicities - A2BCD8_tI24_82_ac_b_d_3g:Gd-Ge-Mo-O, expected Gd2GeMoO12 to be Gd2GeMoO8" +mp-1195215,Gd6Mo10O39,-9.5759355377,-2.5607701872,0.0242789404,0.0242789404,GGA+U,C2/c,A6B10C39_mC220_15_3f_5f_e19f:Gd-Mo-O,110.0,A6B10C39_mC220_15_3f_5f_e19f:Gd-Mo-O +mp-1200768,Gd4Mo4O11,-10.7768764078,-2.6663150802,0.1873318755,0.1873318755,GGA+U,Pbam,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Gd-Mo-O,76.0,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Gd-Mo-O +mp-581229,Gd2Ge2O7,-9.5437133815,-2.9959750934,0.0,-0.0321669177,GGA,P1,A2B2C7_aP66_1_12a_12a_42a:Gd-Ge-O,66.0,A2B2C7_aP66_1_12a_12a_42a:Gd-Ge-O +mp-1200081,Gd4Ge3O13,-9.631471795,-2.9074455064,0.0587471321,0.0587471321,GGA,P-1,A4B3C13_aP40_2_4i_3i_13i:Gd-Ge-O,40.0,A4B3C13_aP40_2_4i_3i_13i:Gd-Ge-O +mp-1364316,Ge3(MoO6)2,-7.4564593596,-1.8728918113,0.1333140088,0.1333140088,GGA+U,Ia-3d,A3B2C12_cI136_230_d_a_h:Ge-Mo-O,68.0,A3B2C12_cI136_230_d_a_h:Ge-Mo-O +mp-582797,Gd2MoO6,-10.7721444694,-3.1412525964,0.0,-0.0380321967,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Gd-Mo-O,36.0,"Invalid WP multiplicities - A2BC6_mC72_15_3e3f_f_18f:Gd-Mo-O, expected Gd9(MoO18)2 to be Gd2MoO6" +mp-1043318,Ge2MoO6,-7.502674328899999,-1.9724700969,0.0869450731,0.0869450731,GGA+U,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ge-Mo-O,36.0,A2BC6_mP36_14_2e_e_6e:Ge-Mo-O +mp-1043238,Ge2MoO6,-7.5297530178,-1.9995487858,0.0598663843,0.0598663843,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:Ge-Mo-O,18.0,A2BC6_mC36_15_f_e_3f:Ge-Mo-O +mp-1195696,Gd2(MoO4)3,-9.6749846006,-2.6132516979,0.0235247203,-0.0036861394,GGA+U,C2/c,A2B3C12_mC68_15_f_ef_6f:Gd-Mo-O,34.0,A2B3C12_mC68_15_f_ef_6f:Gd-Mo-O +mp-3572,Gd2(MoO4)3,-9.6985093209,-2.6367764182,0.0,-0.0272108597,GGA+U,Pba2,A2B3C12_oP68_32_2c_3c_12c:Gd-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_32_2c_3c_14c:Gd-Mo-O, expected Gd2Mo3O14 to be Gd2(MoO4)3" +mp-721324,Gd2(MoO4)3,-9.6979119797,-2.6361790771,0.0005973412,-0.0266135186,GGA+U,P-42_1m,A2B3C12_tP34_113_e_ae_2e2f:Gd-Mo-O,34.0,A2B3C12_tP34_113_e_ae_2e2f:Gd-Mo-O +mp-642754,Gd2Mo2O7,-10.5597521727,-2.8806280201,0.0,-0.0064034407,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Gd-Mo-O,22.0,A2B2C7_cF88_227_c_d_af:Gd-Mo-O +mp-1191917,Gd3GeO8,-10.0469640633,-2.8448887079,0.1641583474,0.1641583474,GGA,P2_1/m,A3BC8_mP24_11_ef_e_2e3f:Gd-Ge-O,24.0,A3BC8_mP24_11_ef_e_2e3f:Gd-Ge-O +mp-1219318,ScMnGaS4,-6.3662906,-1.3565220447000002,0.0356238729,0.0356238729,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ga-Mn-S-Sc,28.0,ABC4D_oP28_62_c_a_2cd_c:Ga-Mn-S-Sc +mp-1219311,ScMn2Ga3S8,-5.8495239493,-1.0757820427,0.0958892686,0.0958892686,GGA,Pm,A3B2C8D_mP14_6_a2b_ab_4a4b_a:Ga-Mn-S-Sc,14.0,A3B2C8D_mP14_6_a2b_ab_4a4b_a:Ga-Mn-S-Sc +mp-1078896,Mn2Ga2S5,-5.8866696167,-0.8797282874000001,0.0383805039,0.0383805039,GGA,P-3m1,A2B2C5_hP9_164_d_d_a2d:Ga-Mn-S,9.0,A2B2C5_hP9_164_d_d_a2d:Ga-Mn-S +mp-3930,Sc2MnS4,-7.3149169829,-1.8330951301,0.0,-0.0219801382,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-S-Sc,14.0,AB4C2_cF56_227_a_e_d:Mn-S-Sc +mp-685820,Sc10Mn17S32,-7.2609381412,-1.3042373487,0.1095517324,0.1095517324,GGA,P1,A17B32C10_aP59_1_17a_32a_10a:Mn-S-Sc,59.0,A17B32C10_aP59_1_17a_32a_10a:Mn-S-Sc +mp-622375,Mn(GaS2)2,-5.4583660724,-0.9206508146,0.0305458905,-0.0026513452,GGA,P-1,A2BC4_aP42_2_6i_3i_12i:Ga-Mn-S,42.0,"Invalid WP multiplicities - A2BC4_mC84_15_8f_5e_22f:Ga-Mn-S, expected Mn5(Ga4S11)4 to be Mn(GaS2)2" +mp-1221975,Mn(GaS2)2,-5.4331929,-0.8954776422,0.0557190629,0.0225218271,GGA,Pm,A2BC4_mP7_6_2a_b_2a2b:Ga-Mn-S,7.0,A2BC4_mP7_6_2a_b_2a2b:Ga-Mn-S +mp-662815,Mn(GaS2)2,-5.457748465,-0.9200332072,0.0311634979,-0.0020337379,GGA,C2/c,A2BC4_mC84_15_3f_3e_6f:Ga-Mn-S,42.0,"Invalid WP multiplicities - A2BC4_mC84_15_8f_5e_22f:Ga-Mn-S, expected Mn5(Ga4S11)4 to be Mn(GaS2)2" +mp-20025,Mn(GaS2)2,-5.4889119629,-0.9511967051,0.0,-0.0331972357,GGA,I-4,A2BC4_tI14_82_ac_b_g:Ga-Mn-S,7.0,A2BC4_tI14_82_ac_b_g:Ga-Mn-S +mp-1078110,Mn(GaS2)2,-5.3617480929,-0.8240328351,0.12716387,0.0939666343,GGA,R3m,A2BC4_hR21_160_2a_a_4a:Ga-Mn-S,7.0,A2BC4_hR21_160_2a_a_4a:Ga-Mn-S +mp-1192440,Eu5Ta4O15,-10.6345015704,-3.4296494792,0.021049325,0.021049325,GGA,P-3m1,A5B15C4_hP24_164_a2d_e2i_cd:Eu-O-Ta,24.0,A5B15C4_hP24_164_a2d_e2i_cd:Eu-O-Ta +mp-1213305,Eu2Ta2O7,-10.6441204668,-3.4753586633,0.0036206005,-0.0322098523,GGA,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:Eu-O-Ta,22.0,A2B7C2_oC44_36_2a_7a_2a:Eu-O-Ta +mp-1191288,Eu2Ta2O7,-10.6477410673,-3.4789792637,0.0,-0.0358304528,GGA,Cmcm,A2B7C2_oC44_63_2c_a2c2f_2c:Eu-O-Ta,22.0,A2B7C2_oC44_63_2c_a2c2f_2c:Eu-O-Ta +mp-1184402,Eu3Dy,-8.7630627263,0.0813853337,0.0813853337,0.0813853337,GGA,P6_3/mmc,AB3_hP8_194_c_h:Dy-Eu,8.0,AB3_hP8_194_c_h:Dy-Eu +mp-15492,DyTa7O19,-10.1470945372,-3.4212309904,0.004469733,0.004469733,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Dy-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_ghk3l_cl:Dy-O-Ta, expected DyTa7O25 to be DyTa7O19" +mp-5957,EuTaO4,-10.3430388375,-3.3594497917,0.0,-0.0506998373,GGA,P2/c,AB4C_mP12_13_e_2g_f:Eu-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Eu-O-Ta +mp-4271,EuTaO4,-10.3352976467,-3.3517086008,0.0077411908,-0.0429586465,GGA,C2/c,AB4C_mC24_15_e_2f_e:Eu-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Eu-O-Ta +mp-1225272,EuTa3O9,-10.3063215312,-3.3562805241,0.0,-0.0091986819,GGA,C2/m,AB9C3_mC52_12_i_ad2i3j_3i:Eu-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mC52_12_i_ad3i12j_6i:Eu-O-Ta, expected EuTa6O28 to be EuTa3O9" +mp-7703,DyTaO4,-9.7798572083,-3.7379706558,0.0,-0.0723420911,GGA,P2/c,AB4C_mP12_13_e_2g_f:Dy-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Dy-O-Ta +mp-557914,DyTaO4,-9.7748633008,-3.7329767483,0.0049939075,-0.0673481836,GGA,C2/c,AB4C_mC24_15_e_2f_e:Dy-O-Ta,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_7f_e:Dy-O-Ta, expected DyTaO14 to be DyTaO4" +mp-1205520,Eu2DyTaO6,-10.147363439,-3.4814934053,0.0624790975,0.0624790975,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-Ta +mp-674513,Dy3TaO7,-9.0960078273,-3.6137388156,0.2518514009,0.2480836473,GGA,Pc,A3B7C_mP22_7_3a_7a_a:Dy-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_39_cd_2c10d_a:Dy-O-Ta, expected Dy3TaO22 to be Dy3TaO7" +mp-755652,Dy3TaO7,-9.3478592282,-3.8655902165,0.0,-0.0037677536,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Dy-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b3c_a:Dy-O-Ta, expected Dy5TaO12 to be Dy3TaO7" +mp-1178370,Dy3TaO7,-9.3385669243,-3.8562979126,0.0092923039,0.0055245502,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Dy-O-Ta,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:Dy-O-Ta, expected Dy7TaO22 to be Dy3TaO7" +mp-755461,Dy3TaO7,-9.3240377536,-3.8417687419,0.0238214745,0.0200537209,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Dy-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Dy-O-Ta, expected Dy5TaO13 to be Dy3TaO7" +mp-1173044,Dy3TaO7,-9.0935003709,-3.6112313592,0.2543588573,0.2505911036,GGA,Cmme,A3B7C_oC44_67_cn_gno_a:Dy-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_67_cn_2g3n4o_a:Dy-O-Ta, expected Dy3TaO24 to be Dy3TaO7" +mp-1213410,Eu3Ta5O15,-10.5420050622,-3.4002561831,0.0485892521,0.0485892521,GGA,P4/mbm,A3B15C5_tP46_127_ag_dhi2j_cj:Eu-O-Ta,46.0,A3B15C5_tP46_127_ag_dhi2j_cj:Eu-O-Ta +mp-21406,Eu3TaO6,-10.477895388,-3.2470038583,0.1119960543,0.1119960543,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Eu-O-Ta,10.0,"Invalid WP multiplicities - A3B6C_cF40_225_a2c_e_b:Eu-O-Ta, expected Eu5TaO6 to be Eu3TaO6" +mp-1212735,EuDy2O4,-9.3371106,-3.7289205536,0.0327152543,0.0327152543,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Dy-Eu-O,28.0,A2BC4_oP28_62_2c_c_4c:Dy-Eu-O +mp-505434,EuTa2O6,-10.5516680653,-3.4791470289,0.0,-0.0555838567,GGA,Pnma,AB6C2_oP36_62_c_2c2d_d:Eu-O-Ta,36.0,AB6C2_oP36_62_c_2c2d_d:Eu-O-Ta +mp-20092,EuTa2O6,-10.5358722078,-3.4633511714000003,0.0157958575,-0.0397879992,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:Eu-O-Ta,9.0,AB6C2_tP9_123_c_abi_g:Eu-O-Ta +mp-1227777,BaSrHo4O8,-8.1195671768,-3.7258804937,0.0045199624,0.0045199624,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Ho-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Ho-O-Sr +mp-559385,SrHo2O4,-8.1373397039,-3.7600445556,0.0010424845,0.0010424845,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ho-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_6c_12c_c:Ho-O-Sr, expected SrHo6O12 to be SrHo2O4" +mp-14323,Ba3Ho4O9,-7.8713500319,-3.583427613,0.0068568819,0.0068568819,GGA,R3,A3B4C9_hR48_146_3a_4a_3b:Ba-Ho-O,16.0,A3B4C9_hR48_146_3a_4a_3b:Ba-Ho-O +mp-753619,BaSrO2,-6.2729299925,-2.8974685385,0.053534385,0.053534385,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ba-O-Sr,4.0,AB2C_tP4_123_a_bc_d:Ba-O-Sr +mp-1227311,BaSrO2,-6.30028786,-2.924826406,0.0261765175,0.0261765175,GGA,R-3m,AB2C_hR12_166_a_c_b:Ba-O-Sr,4.0,AB2C_hR12_166_a_c_b:Ba-O-Sr +mp-984729,BaSr3O4,-6.3168876687,-2.9701114006,0.0442535575,0.0442535575,GGA,Pm-3m,AB4C3_cP8_221_a_bd_c:Ba-O-Sr,8.0,AB4C3_cP8_221_a_bd_c:Ba-O-Sr +mp-1096879,BaHo2O4,-7.5174095029,-3.107331285,0.5923825871,0.5834781009000001,GGA,Pm,AB2C4_mP7_6_a_2b_4a:Ba-Ho-O,7.0,AB2C4_mP7_6_a_2b_4a:Ba-Ho-O +mp-17363,BaHo2O4,-8.10979209,-3.6997138721,0.0,-0.0089044863,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Ho-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Ho-O +mp-971996,SrHoO3,-7.280823688,-3.0584299966,0.2362225939,0.2362225939,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ho-O-Sr,5.0,AB3C_cP5_221_b_c_a:Ho-O-Sr +mp-760515,Ba3Sr4O7,-6.29757501,-2.9303093234,0.0387970386,0.0387970386,GGA,Immm,A3B7C4_oI28_71_ae_c3f_2e:Ba-O-Sr,14.0,A3B7C4_oI28_71_ae_c3f_2e:Ba-O-Sr +mp-1079882,Ba3SrO4,-6.2549930525,-2.8508464127,0.0367944762,0.0367944762,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Ba-O-Sr,8.0,A3B4C_cP8_221_c_bd_a:Ba-O-Sr +mp-1223307,KRbCl2,-3.6226078525,-2.1756062676,0.07594711,0.07594711,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Cl-K-Rb,4.0,A2BC_tP4_123_e_a_c:Cl-K-Rb +mp-1223311,KRbCl2,-3.6955703975,-2.2485688126,0.002984565,0.002984565,GGA,R-3m,A2BC_hR12_166_c_a_b:Cl-K-Rb,4.0,A2BC_hR12_166_c_a_b:Cl-K-Rb +mp-1093760,K2RbBi,-1.1667177075,0.5937375666,0.9559145039,0.9559145039,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-K-Rb,4.0,AB2C_oI8_71_a_e_b:Bi-K-Rb +mp-1184754,K2RbBi,-2.1150737725,-0.3546184984,0.0075584389,0.0075584389,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-K-Rb,4.0,AB2C_cF16_225_a_c_b:Bi-K-Rb +mp-1110887,K3BiCl6,-3.725227807,-1.8989372139,0.0177223705,0.0177223705,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Cl-K,10.0,AB6C3_cF40_225_a_e_bc:Bi-Cl-K +mp-1110759,K2RbBiCl6,-3.691390513,-1.8780864073,0.0417286543,0.0417286543,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Rb +mp-1223237,La2MnSb4,-5.8939858343,-0.8154094826,0.0452444832,0.0452444832,GGA,P-4m2,A2BC4_tP7_115_g_c_abg:La-Mn-Sb,7.0,A2BC4_tP7_115_g_c_abg:La-Mn-Sb +mp-1203312,La21Mn8Sb7C12,-7.2310484835,-0.6352304391,0.0,-0.0882265229,GGA,Fm-3m,A12B21C8D7_cF192_225_g_bfh_f_ae:C-La-Mn-Sb,48.0,A12B21C8D7_cF192_225_g_bfh_f_ae:C-La-Mn-Sb +mp-1223277,La4Mn3Sb8,-6.107252698,-0.7564470836,0.0468299511,0.0468299511,GGA,P-4m2,A4B3C8_tP15_115_2g_abc_ef2g:La-Mn-Sb,15.0,"Invalid WP multiplicities - A4B3C8_tP15_115_3g_abc_ef3g:La-Mn-Sb, expected La6Mn3Sb10 to be La4Mn3Sb8" +mp-1223066,La4Mn3Sb8,-6.0988398987,-0.7480342843000001,0.0552427504,0.0552427504,GGA,I-42m,A4B3C8_tI30_121_i_ac_dei:La-Mn-Sb,15.0,A4B3C8_tI30_121_i_ac_dei:La-Mn-Sb +mp-1211287,LiErF2,-5.1247256494,-2.5498257465,0.523697249,0.523697249,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Er-F-Li,16.0,AB2C_tI32_141_c_h_d:Er-F-Li +mp-1209986,NaLiEr2F8,-6.3371757212,-4.0322825946,0.0,-0.0153515392,GGA,Cmcm,A2B8CD_oC48_63_g_2cgh_a_c:Er-F-Li-Na,24.0,"Invalid WP multiplicities - A2B8CD_oC48_63_g_2cg2h_a_c:Er-F-Li-Na, expected NaLiEr2F12 to be NaLiEr2F8" +mp-568548,Mg10B16Ir19,-6.9337334389,-0.4714374777,0.0,-0.1152540779,GGA,I-43m,A16B19C10_cI90_217_cg_adg_ce:B-Ir-Mg,45.0,"Invalid WP multiplicities - A16B19C10_cI90_217_3c4g_a6d5g_3c4e:B-Ir-Mg, expected Mg36B60Ir97 to be Mg10B16Ir19" +mp-569048,MgBIr,-6.1601080256,-0.4540726919,0.0,-0.0508694501,GGA,P6_222,ABC_hP18_180_i_f_ad:B-Ir-Mg,18.0,"Invalid WP multiplicities - ABC_hP18_180_i_f_a2d:B-Ir-Mg, expected Mg3(BIr)2 to be MgBIr" +mp-1106175,Mg2GeB2Ir5,-7.037693187,-0.5002389473000001,0.0,-0.101218003,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Ge-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Ge-Ir-Mg +mp-1228392,Ba2CePbO6,-7.191365368,-2.8749835307,0.0,-0.02449063,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Ce-O-Pb,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-Ce-O-Pb +mp-29242,Ba3PbO,-4.375894106,-1.4926419858,0.0,-0.038161518,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-O-Pb,5.0,A3BC_cP5_221_c_b_a:Ba-O-Pb +mp-778589,Ba4Ce2O7,-7.2809929092,-3.1141545209,0.0829439738,0.0829439738,GGA,P2_1/c,A4B2C7_mP78_14_6e_3e_a10e:Ba-Ce-O,78.0,"Invalid WP multiplicities - A4B2C7_mP78_14_23e_5e_2a32e:Ba-Ce-O, expected Ba23Ce5O33 to be Ba4Ce2O7" +mp-770465,Ba4Ce2O7,-7.3386777385,-3.1718393501,0.0252591446,0.0252591446,GGA,Cmce,A4B2C7_oC52_64_g_f_afg:Ba-Ce-O,26.0,"Invalid WP multiplicities - A4B2C7_oC52_64_g_f_2a4f3g:Ba-Ce-O, expected Ba2CeO11 to be Ba4Ce2O7" +mp-3187,BaCeO3,-8.129798318,-3.5913722723,0.0,-0.104073952,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ba-Ce-O,20.0,ABC3_oP20_62_c_a_cd:Ba-Ce-O +mp-3316,BaCeO3,-8.128615543,-3.5901894972,0.001182775,-0.102891177,GGA,Imma,ABC3_oI20_74_e_a_eg:Ba-Ce-O,10.0,ABC3_oI20_74_e_a_eg:Ba-Ce-O +mp-4900,BaCeO3,-8.12700298,-3.5885769343,0.002795338,-0.101278614,GGA,R-3c,ABC3_hR30_167_a_b_e:Ba-Ce-O,10.0,ABC3_hR30_167_a_b_e:Ba-Ce-O +mp-5663,BaCeO3,-8.089464422,-3.5510383763,0.040333896,-0.063740056,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Ce-O,5.0,ABC3_cP5_221_a_b_c:Ba-Ce-O +mp-778873,BaCe2O4,-8.3001074118,-3.5041205411,0.0015609898,0.0015609898,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Ce-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Ce-O +mp-758059,Ba7Pb17O24,-5.9581361623,-1.8900454573,0.0093788005,0.0093788005,GGA,Pm,A7B24C17_mP48_6_2ab2c_ab11c_2a3b6c:Ba-O-Pb,48.0,"Invalid WP multiplicities - A7B24C17_mP48_6_2ab2c_ab20c_2a3b7c:Ba-O-Pb, expected Ba7Pb19O42 to be Ba7Pb17O24" +mp-20461,BaPbO3,-6.203899323,-2.1095616942,5.1835e-05,-0.0605763055,GGA,C2/m,AB3C_mC20_12_i_ghi_e:Ba-O-Pb,10.0,AB3C_mC20_12_i_ghi_e:Ba-O-Pb +mp-22230,BaPbO3,-6.203951158,-2.1096135293,0.0,-0.0606281405,GGA,Imma,AB3C_oI20_74_e_eg_a:Ba-O-Pb,10.0,"Invalid WP multiplicities - AB3C_oI20_74_e_e2g_a:Ba-O-Pb, expected BaPbO5 to be BaPbO3" +mp-20991,BaPbO3,-6.201109751,-2.1067721222,0.002841407,-0.0577867335,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ba-O-Pb,10.0,AB3C_tI20_140_b_ah_c:Ba-O-Pb +mp-21280,BaPbO3,-6.176932494,-2.0825948652,0.027018664,-0.0336094765,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pb,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pb +mp-561598,BaPbO3,-5.108779098,-1.0144414692,1.09517206,1.0345439195,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ba-O-Pb,5.0,AB3C_cP5_221_b_c_a:Ba-O-Pb +mp-1214389,BaPb3O4,-5.9504799206,-1.8450210462,0.0,-0.0150231359,GGA,P-62c,AB4C3_hP16_190_c_dg_h:Ba-O-Pb,16.0,AB4C3_hP16_190_c_dg_h:Ba-O-Pb +mp-1214439,CePbO3,-7.4659464675,-2.5687859957,0.3766858343,0.3766858343,GGA,Cmcm,AB3C_oC40_63_2c_efg_d:Ce-O-Pb,20.0,AB3C_oC40_63_2c_efg_d:Ce-O-Pb +mp-20098,Ba2PbO4,-6.2751028571,-2.3697668864,0.0,-0.0559632643,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-O-Pb,7.0,A2B4C_tI14_139_e_ce_a:Ba-O-Pb +mp-510369,Ce5Pb3O,-6.1166053183,-1.0332635743,0.0,-0.0536064817,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Ce-O-Pb,18.0,"Invalid WP multiplicities - A5BC3_tI36_140_2c2l_b_2a2h:Ce-O-Pb, expected Ce10Pb6O to be Ce5Pb3O" +mp-769656,Ba2Ce2O5,-7.846406165,-3.3533426376,0.0051847756,0.0051847756,GGA,Pbam,A2B2C5_oP18_55_h_g_agh:Ba-Ce-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a4g2h:Ba-Ce-O, expected BaCeO7 to be Ba2Ce2O5" +mp-1216845,UCuSi,-7.0392370967,-0.1005921933,0.116109338,0.116109338,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-U,3.0,ABC_hP3_187_a_c_f:Cu-Si-U +mp-1217068,UCuSi,-6.9890217667000005,-0.0503768633,0.166324668,0.166324668,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-U,3.0,ABC_hP3_187_a_c_f:Cu-Si-U +mp-1207927,UCuSi,-7.0426800183,-0.104035115,0.1126664163,0.1126664163,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-U,6.0,ABC_hP6_194_c_d_a:Cu-Si-U +mp-1216820,U2CuSi3,-7.3887396067,-0.2290761433,0.0369014485,0.0369014485,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-Si-U +mp-1216812,U2CuSi3,-7.3952641933,-0.23560073,0.0303768619,0.0303768619,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Cu-Si-U,6.0,AB3C2_oI12_44_a_a2b_ab:Cu-Si-U +mp-1207677,U3(CuSi)4,-6.74756883,-0.2046298455,0.0202208962,0.0202208962,GGA,Immm,A4B4C3_oI22_71_ef_ef_af:Cu-Si-U,11.0,A4B4C3_oI22_71_ef_ef_af:Cu-Si-U +mp-22374,U(CuSi)2,-6.302721676,-0.234629794,0.0,-0.0412368228,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-U,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-U +mp-1216266,UCrCuSi2,-7.359607556,-0.180747514,0.0899610331,0.0899610331,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Cr-Cu-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Cr-Cu-Si-U +mp-1007924,CrCu2Si,-5.664517035,0.154677675,0.3167307432,0.3167307432,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Cu-Si,4.0,AB2C_cF16_225_a_c_b:Cr-Cu-Si +mp-9394,U2Cr3Si,-9.5737048092,-0.0791580658,0.1361108817,0.1361108817,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cr-Si-U,12.0,A3BC2_hP12_194_h_a_f:Cr-Si-U +mp-5284,U(CrSi)2,-8.491024572,-0.20139637,0.1053909302,0.1053909302,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-U,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-U +mp-1216710,U4Cr7Si,-9.747980995,0.098876535,0.2065110087,0.2065110087,GGA,P-3m1,A7BC4_hP12_164_ai_b_2d:Cr-Si-U,12.0,A7BC4_hP12_164_ai_b_2d:Cr-Si-U +mp-763418,Li2Fe3O10,-6.0737649787,-0.8274452136,0.5084819339000001,0.5084819339000001,GGA+U,P-1,A3B2C10_aP15_2_ai_i_5i:Fe-Li-O,15.0,"Invalid WP multiplicities - A3B2C10_aP15_2_ai_i_9i:Fe-Li-O, expected Li2(FeO6)3 to be Li2Fe3O10" +mp-1211341,Li3FeO6,-4.534462118,-0.1467699102,1.3263254004,1.3263254004,GGA+U,Cmmm,AB3C6_oC20_65_a_de_kp:Fe-Li-O,10.0,AB3C6_oC20_65_a_de_kp:Fe-Li-O +mp-762692,Li5Fe11O16,-7.4125411675,-1.729357823,0.0424335615,0.0424335615,GGA+U,P1,A11B5C16_aP32_1_11a_5a_16a:Fe-Li-O,32.0,A11B5C16_aP32_1_11a_5a_16a:Fe-Li-O +mp-758105,Li5Fe11O16,-7.4052773972,-1.7220940527000002,0.0496973318,0.0496973318,GGA+U,C2/m,A11B5C16_mC64_12_abc2ij_def_4i2j:Fe-Li-O,32.0,"Invalid WP multiplicities - A11B5C16_mC64_12_abc4i2j_de2f_8i5j:Fe-Li-O, expected Li7Fe19O36 to be Li5Fe11O16" +mp-766727,Li5Fe11O16,-7.4323709787,-1.7491876343,0.0226037502,0.0226037502,GGA+U,P2_1/c,A11B5C16_mP64_14_abc4e_d2e_8e:Fe-Li-O,64.0,"Invalid WP multiplicities - A11B5C16_mP64_14_2a2b2c10e_2d5e_31e:Fe-Li-O, expected Li6Fe13O31 to be Li5Fe11O16" +mp-764889,Li9Fe5O12,-6.4877163935,-1.914998071,0.0678678112,0.0678678112,GGA+U,C2/m,A5B9C12_mC52_12_agh_d2ij_2i2j:Fe-Li-O,26.0,"Invalid WP multiplicities - A5B9C12_mC52_12_a2gh_c4i2j_3i4j:Fe-Li-O, expected Li17Fe7O22 to be Li9Fe5O12" +mp-1272244,Li3(FeO3)2,-6.4242730891,-1.665460063,0.071443416,0.071443416,GGA+U,P1,A2B3C6_aP11_1_2a_3a_6a:Fe-Li-O,11.0,A2B3C6_aP11_1_2a_3a_6a:Fe-Li-O +mp-753133,Li3(FeO3)2,-6.41751144,-1.6586984139,0.0782050651,0.0782050651,GGA+U,P-1,A2B3C6_aP22_2_2i_acdei_6i:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_aP22_2_3i_acde2i_12i:Fe-Li-O, expected Li4(FeO4)3 to be Li3(FeO3)2" +mp-1305099,Li3(FeO3)2,-6.4256807727,-1.6668677466,0.0700357323,0.0700357323,GGA+U,P-1,A2B3C6_aP22_2_2i_be2i_6i:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_aP22_2_3i_bc4i_12i:Fe-Li-O, expected Li5(FeO4)3 to be Li3(FeO3)2" +mp-1276910,Li3(FeO3)2,-6.4228863155,-1.6640732893,0.0728301896,0.0728301896,GGA+U,C2,A2B3C6_mC22_5_2a_3b_3c:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_mC22_5_4a_3b_3c:Fe-Li-O, expected Li3(Fe2O3)2 to be Li3(FeO3)2" +mp-1286090,Li3(FeO3)2,-6.4212910527,-1.6624780266,0.0744254523,0.0744254523,GGA+U,P2/m,A2B3C6_mP22_10_kl_aeij_mn2o:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_mP22_10_2kl_ae2ij_2mn6o:Fe-Li-O, expected Li4(FeO5)3 to be Li3(FeO3)2" +mp-752654,Li3(FeO3)2,-6.4260270109,-1.6672139848,0.0696894942,0.0696894942,GGA+U,C2/m,A2B3C6_mC22_12_h_ag_ij:Fe-Li-O,11.0,A2B3C6_mC22_12_h_ag_ij:Fe-Li-O +mp-760809,Li3(FeO3)2,-6.4260093676,-1.6671963414,0.0697071375,0.0697071375,GGA+U,C2/c,A2B3C6_mC132_15_2e2f_c4f_9f:Fe-Li-O,66.0,"Invalid WP multiplicities - A2B3C6_mC132_15_2e6f_2a15f_31f:Fe-Li-O, expected Li16Fe7O31 to be Li3(FeO3)2" +mp-1177753,Li3(FeO3)2,-6.4264812945,-1.6676682684,0.0692352105,0.0692352105,GGA+U,C2/c,A2B3C6_mC44_15_2e_cf_3f:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_mC44_15_3e_cf_6f:Fe-Li-O, expected LiFeO4 to be Li3(FeO3)2" +mp-755242,Li3(FeO3)2,-6.4003182668,-1.6415052407,0.0953982382,0.0953982382,GGA+U,Pnn2,A2B3C6_oP22_34_ab_2ab_3c:Fe-Li-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_34_ab_4ab_9c:Fe-Li-O, expected Li5(FeO9)2 to be Li3(FeO3)2" +mp-25259,Fe(Se2O5)2,-5.9727552647,-1.1780516491,0.0799300774,0.0799300774,GGA+U,Pnc2,AB10C4_oP30_30_a_ab4c_2c:Fe-O-Se,30.0,"Invalid WP multiplicities - AB10C4_oP30_30_a_ab11c_3c:Fe-O-Se, expected Fe(SeO4)6 to be Fe(Se2O5)2" +mp-760830,Li4Fe2O5,-6.4238942577,-1.9412417629,0.0484046624,0.0484046624,GGA+U,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Fe-Li-O,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_2e_13e_17e:Fe-Li-O, expected Li13Fe2O17 to be Li4Fe2O5" +mp-770893,Li4Fe2O5,-6.3981215505,-1.9154690556,0.0741773697,0.0741773697,GGA+U,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Fe-Li-O,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_3e_15e_19e:Fe-Li-O, expected Li15Fe3O19 to be Li4Fe2O5" +mp-1194726,Li2Se2O7,-5.6626305945,-1.5320406248,0.0,-0.0281708475,GGA,Pnma,A2B7C2_oP44_62_d_3c2d_2c:Li-O-Se,44.0,A2B7C2_oP44_62_d_3c2d_2c:Li-O-Se +mp-756155,Li6FeO4,-5.5722346141,-1.9622061364,0.025519845,0.025519845,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Fe-Li-O,44.0,AB6C4_tP22_137_a_df_g:Fe-Li-O +mp-997515,Li(Fe2O3)4,-7.8251784838,-1.6809233847,0.0515684377,0.0515684377,GGA+U,P1,A8BC12_aP42_1_16a_2a_24a:Fe-Li-O,42.0,A8BC12_aP42_1_16a_2a_24a:Fe-Li-O +mp-1233014,Li(Fe2O3)4,-7.6548827995,-1.5106277004000002,0.221864122,0.221864122,GGA+U,P1,A8BC12_aP21_1_8a_a_12a:Fe-Li-O,21.0,A8BC12_aP21_1_8a_a_12a:Fe-Li-O +mp-1236363,Li(Fe2O3)4,-7.6720288838,-1.5277737847,0.2047180377,0.2047180377,GGA+U,P1,A8BC12_aP21_1_8a_a_12a:Fe-Li-O,21.0,A8BC12_aP21_1_8a_a_12a:Fe-Li-O +mp-1178121,Li(Fe2O3)4,-7.8077589536,-1.6635038544,0.068987968,0.068987968,GGA+U,P-1,A8BC12_aP42_2_ab7i_cf_12i:Fe-Li-O,42.0,"Invalid WP multiplicities - A8BC12_aP42_2_ab14i_cf_23i:Fe-Li-O, expected LiFe15O23 to be Li(Fe2O3)4" +mp-1235675,Li(Fe2O3)4,-7.7014245838,-1.5571694847000002,0.1753223377,0.1753223377,GGA+U,P2,A8BC12_mP21_3_4e_a_abcd4e:Fe-Li-O,21.0,"Invalid WP multiplicities - A8BC12_mP21_3_6e_a_abcd6e:Fe-Li-O, expected Li(Fe3O4)4 to be Li(Fe2O3)4" +mp-1235693,Li(Fe2O3)4,-7.7327381814,-1.5884830823,0.1440087401,0.1440087401,GGA+U,P2,A8BC12_mP21_3_4e_a_abcd4e:Fe-Li-O,21.0,"Invalid WP multiplicities - A8BC12_mP21_3_6e_a_abcd6e:Fe-Li-O, expected Li(Fe3O4)4 to be Li(Fe2O3)4" +mp-758077,Li(Fe2O3)4,-7.8096664412,-1.6654113421,0.0670804804,0.0670804804,GGA+U,Cc,A8BC12_mC84_9_8a_a_12a:Fe-Li-O,42.0,"Invalid WP multiplicities - A8BC12_mC84_9_16a_a_24a:Fe-Li-O, expected Li(Fe2O3)8 to be Li(Fe2O3)4" +mp-773010,LiFe23O32,-7.958947743,-1.6194218599,0.0589669842,0.0589669842,GGA+U,R-3m,A23BC32_hR168_166_cdf2h_b_c3hi:Fe-Li-O,56.0,"Invalid WP multiplicities - A23BC32_hR168_166_2c3d4f10h_b_2c11h7i:Fe-Li-O, expected LiFe97O154 to be LiFe23O32" +mp-771396,Li4(FeO2)9,-7.1581626676,-1.5805407592,0.1159452265,0.1159452265,GGA+U,Pm,A9B4C18_mP62_6_10a8b_8a_16a20b:Fe-Li-O,62.0,A9B4C18_mP62_6_10a8b_8a_16a20b:Fe-Li-O +mp-1177943,Li2FeO2,-6.273015041,-1.8367661678,0.0437430455,0.0437430455,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Fe-Li-O,20.0,AB2C2_mC10_12_a_i_i:Fe-Li-O +mp-1272755,Li2FeO2,-6.2724262065,-1.8361773333,0.04433188,0.04433188,GGA+U,P2_1/c,AB2C2_mP10_14_a_e_e:Fe-Li-O,20.0,AB2C2_mP10_14_a_e_e:Fe-Li-O +mp-755094,Li2FeO2,-6.314733549,-1.8784846758,0.0020245375,0.0020245375,GGA+U,Immm,AB2C2_oI10_71_a_e_f:Fe-Li-O,20.0,AB2C2_oI10_71_a_e_f:Fe-Li-O +mp-754868,Li2FeO2,-6.2620980305,-1.8258491573,0.054660056,0.054660056,GGA+U,P-3m1,AB2C2_hP5_164_a_d_d:Fe-Li-O,20.0,AB2C2_mC10_12_a_i_i:Fe-Li-O +mp-762600,Li6Fe7O15,-6.4628790271,-1.286307015,0.5362506768,0.5362506768,GGA+U,Cm,A7B6C15_mC56_8_7a_6a_15a:Fe-Li-O,28.0,"Invalid WP multiplicities - A7B6C15_mC56_12_a6i_5i_b11i:Fe-Li-O, expected Li10Fe13O23 to be Li6Fe7O15" +mp-758888,Li6Fe7O15,-6.8799262743,-1.7033542622,0.1192034296,0.1192034296,GGA+U,C2/m,A7B6C15_mC56_12_a3i_3i_b7i:Fe-Li-O,28.0,"Invalid WP multiplicities - A7B6C15_mC56_12_a6i_5i_b11i:Fe-Li-O, expected Li10Fe13O23 to be Li6Fe7O15" +mp-1235270,Li(FeO2)8,-7.2647189324,-1.3120744553,0.2010835655,0.2010835655,GGA+U,P2,A8BC16_mP25_3_4e_a_8e:Fe-Li-O,25.0,"Invalid WP multiplicities - A8BC16_mP25_3_8e_a_16e:Fe-Li-O, expected Li(FeO2)16 to be Li(FeO2)8" +mp-1236025,Li(FeO2)8,-7.2991707348,-1.3465262577,0.1666317631,0.1666317631,GGA+U,Pm,A8BC16_mP25_6_4a4b_a_8a8b:Fe-Li-O,25.0,A8BC16_mP25_6_4a4b_a_8a8b:Fe-Li-O +mp-766829,Li15(FeO4)4,-5.8469862514,-1.7995306166,0.1167831876,0.1167831876,GGA+U,Pc,A4B15C16_mP70_7_4a_15a_16a:Fe-Li-O,70.0,A4B15C16_mP70_7_4a_15a_16a:Fe-Li-O +mp-849463,Li11(FeO3)4,-6.1004434578,-1.8693878686,0.1151687913,0.1151687913,GGA+U,Pm,A4B11C12_mP27_6_2a2b_5a6b_6a6b:Fe-Li-O,27.0,"Invalid WP multiplicities - A4B11C12_oC54_38_2a2e_a4d6e_2b6d4e:Fe-Li-O, expected Li21(Fe3O11)2 to be Li11(FeO3)4" +mp-755806,Li3Fe5O12,-6.827262803,-1.4554058437,0.1457244831,0.1457244831,GGA+U,P1,A5B3C12_aP20_1_5a_3a_12a:Fe-Li-O,20.0,A5B3C12_aP20_1_5a_3a_12a:Fe-Li-O +mp-758559,Li3Fe5O12,-6.8194573583,-1.447600399,0.1535299278,0.1535299278,GGA+U,P1,A5B3C12_aP40_1_10a_6a_24a:Fe-Li-O,40.0,A5B3C12_aP40_1_10a_6a_24a:Fe-Li-O +mp-759319,Li3Fe5O12,-6.8275260573,-1.455669098,0.1454612288,0.1454612288,GGA+U,P1,A5B3C12_aP40_1_10a_6a_24a:Fe-Li-O,40.0,A5B3C12_aP40_1_10a_6a_24a:Fe-Li-O +mp-780312,Li5(FeO2)4,-6.7314410109,-1.8491934307,0.0772430871,0.0772430871,GGA+U,Cc,A4B5C8_mC68_9_4a_5a_8a:Fe-Li-O,34.0,"Invalid WP multiplicities - A4B5C8_mC68_9_7a_10a_16a:Fe-Li-O, expected Li10Fe7O16 to be Li5(FeO2)4" +mp-754802,Li5(FeO2)4,-6.7308969812,-1.848649401,0.0777871168,0.0777871168,GGA+U,R3m,A4B5C8_hR51_160_ab_2ab_2a2b:Fe-Li-O,17.0,"Invalid WP multiplicities - A4B5C8_hR51_160_ab_2a2b_2a2b:Fe-Li-O, expected Li2FeO2 to be Li5(FeO2)4" +mp-771897,Li6FeO6,-5.5950026823,-1.7793341687000002,0.0747036381,0.0747036381,GGA+U,R-3,AB6C6_hR39_148_a_f_f:Fe-Li-O,13.0,AB6C6_hR39_148_a_f_f:Fe-Li-O +mp-558555,LiFe(SeO3)2,-6.300582079,-1.5954921491,0.0,-0.0529605412,GGA+U,I-42d,ABC6D2_tI80_122_d_d_3e_e:Fe-Li-O-Se,40.0,"Invalid WP multiplicities - ABC6D2_tI80_122_d_d_14e_e:Fe-Li-O-Se, expected LiFe(SeO14)2 to be LiFe(SeO3)2" +mp-758794,Li5Fe5O12,-6.76313743,-1.706092661,0.0667450661,0.0667450661,GGA+U,P1,A5B5C12_aP44_1_10a_10a_24a:Fe-Li-O,44.0,A5B5C12_aP44_1_10a_10a_24a:Fe-Li-O +mp-759022,Li5Fe5O12,-6.7688495211,-1.7118047521,0.0610329749,0.0610329749,GGA+U,P1,A5B5C12_aP44_1_10a_10a_24a:Fe-Li-O,44.0,A5B5C12_aP44_1_10a_10a_24a:Fe-Li-O +mp-771687,Li5Fe5O12,-6.7345691018,-1.6775243328,0.0953133942,0.0953133942,GGA+U,C2,A5B5C12_mC44_5_2a3b_a2c_6c:Fe-Li-O,22.0,"Invalid WP multiplicities - A5B5C12_mC44_5_2a3b_a2c_11c:Fe-Li-O, expected Li5Fe5O22 to be Li5Fe5O12" +mp-1201589,Fe3Se3O10,-6.6366723175,-1.301379494,0.1240643448,0.1240643448,GGA+U,P-1,A3B10C3_aP32_2_be2i_10i_3i:Fe-O-Se,32.0,A3B10C3_aP32_2_be2i_10i_3i:Fe-O-Se +mp-753154,Li(FeO2)3,-7.2159495925,-1.5160377161,0.1206674116,0.1206674116,GGA+U,Cc,A3BC6_mC40_9_3a_a_6a:Fe-Li-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_9_6a_a_12a:Fe-Li-O, expected Li(FeO2)6 to be Li(FeO2)3" +mp-758249,Li(FeO2)3,-7.196206373,-1.4962944966,0.1404106311,0.1404106311,GGA+U,C2/m,A3BC6_mC20_12_ag_d_ij:Fe-Li-O,10.0,"Invalid WP multiplicities - A3BC6_mC20_12_ag_c_2i3j:Fe-Li-O, expected LiFe3O16 to be Li(FeO2)3" +mp-752527,Li(FeO2)3,-7.2210940725,-1.5211821961,0.1155229316,0.1155229316,GGA+U,Fddd,A3BC6_oF80_70_ae_b_fh:Fe-Li-O,20.0,"Invalid WP multiplicities - A3BC6_oF80_70_2a2e_b_3f3h:Fe-Li-O, expected Li(FeO3)6 to be Li(FeO2)3" +mp-586092,Li3Fe5O8,-7.2570846697,-1.7789356484,0.0507829061,0.0507829061,GGA+U,Cmcm,A5B3C8_oC128_63_2cegh_2ceg_2f4gh:Fe-Li-O,64.0,"Invalid WP multiplicities - A5B3C8_oC128_63_4c3e4g5h_4c2e4g_8f13g6h:Fe-Li-O, expected Li8Fe19O33 to be Li3Fe5O8" +mp-706252,LiFe5O8,-7.664956401299999,-1.6769179293,0.0988562757,0.0988562757,GGA+U,P1,A5BC8_aP112_1_40a_8a_64a:Fe-Li-O,112.0,A5BC8_aP112_1_40a_8a_64a:Fe-Li-O +mp-33551,LiFe5O8,-7.6272889929,-1.639250521,0.1365236841,0.1365236841,GGA+U,R-3m,A5BC8_hR42_166_cd_a_ch:Fe-Li-O,14.0,"Invalid WP multiplicities - A5BC8_hR42_166_cd_a_c2h:Fe-Li-O, expected LiFe5O14 to be LiFe5O8" +mp-21735,LiFe5O8,-7.700750207,-1.7127117351,0.06306247,0.06306247,GGA+U,P4_332,A5BC8_cP56_212_cd_a_ce:Fe-Li-O,56.0,"Invalid WP multiplicities - A5BC8_cP56_212_5c6d_a_7c8e:Fe-Li-O, expected Li(Fe14O31)2 to be LiFe5O8" +mp-757153,LiFe5O8,-7.6170356579,-1.628997186,0.1467770191,0.1467770191,GGA+U,F-43m,A5BC8_cF56_216_ae_c_2e:Fe-Li-O,14.0,A5BC8_cF56_216_ae_c_2e:Fe-Li-O +mp-752950,Li4(FeO2)5,-7.0453173116,-1.810965489,0.0533264143,0.0533264143,GGA+U,P1,A5B4C10_aP19_1_5a_4a_10a:Fe-Li-O,19.0,A5B4C10_aP19_1_5a_4a_10a:Fe-Li-O +mp-1196307,FeSe3O8,-6.0919495412,-1.2143440968,0.0693851189,0.0693851189,GGA+U,P2_1/c,AB8C3_mP48_14_e_8e_3e:Fe-O-Se,48.0,AB8C3_mP48_14_e_8e_3e:Fe-O-Se +mp-773043,Li(FeO2)2,-7.1623697118,-1.6429811215,0.0819719395,0.0819719395,GGA+U,P1,A2BC4_aP56_1_16a_8a_32a:Fe-Li-O,56.0,A2BC4_aP56_1_16a_8a_32a:Fe-Li-O +mp-1178108,Li(FeO2)2,-7.1029729936,-1.5835844033000002,0.1413686577,0.1413686577,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:Fe-Li-O,14.0,A2BC4_aP14_1_4a_2a_8a:Fe-Li-O +mp-1178103,Li(FeO2)2,-7.1608854686,-1.6414968783,0.0834561827,0.0834561827,GGA+U,P-1,A2BC4_aP7_2_cd_b_2i:Fe-Li-O,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_cd_b_3i:Fe-Li-O, expected Li(FeO3)2 to be Li(FeO2)2" +mp-1178106,Li(FeO2)2,-7.1712116064,-1.6518230162,0.0731300449,0.0731300449,GGA+U,Cc,A2BC4_mC56_9_4a_2a_8a:Fe-Li-O,28.0,"Invalid WP multiplicities - A2BC4_mC56_9_7a_3a_14a:Fe-Li-O, expected Li3(FeO2)7 to be Li(FeO2)2" +mp-752935,Li(FeO2)2,-7.1346120157,-1.6152234255,0.1097296356,0.1097296356,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:Fe-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_f_e_7f:Fe-Li-O, expected Li(FeO7)2 to be Li(FeO2)2" +mp-771571,Li(FeO2)2,-7.1681610082,-1.648772418,0.0761806431,0.0761806431,GGA+U,Cmc2_1,A2BC4_oC56_36_2ab_2a_4a2b:Fe-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oC56_36_3a3b_3a_6a6b:Fe-Li-O, expected Li(FeO2)3 to be Li(FeO2)2" +mp-771135,Li(FeO2)2,-7.1847832379,-1.6653946476,0.0595584134,0.0595584134,GGA+U,P4_322,A2BC4_tP28_95_ac_b_2d:Fe-Li-O,28.0,"Invalid WP multiplicities - A2BC4_tP28_95_3a2c_b_3d:Fe-Li-O, expected LiFe5O6 to be Li(FeO2)2" +mp-1178122,Li(FeO2)2,-7.1433570036,-1.6239684133,0.1009846477,0.1009846477,GGA+U,R3,A2BC4_hR168_146_a5b_2a2b_2a10b:Fe-Li-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_146_a13b_2a4b_2a28b:Fe-Li-O, expected Li7Fe20O43 to be Li(FeO2)2" +mp-754803,Li(FeO2)2,-7.1610061914,-1.6416176012,0.0833354599,0.0833354599,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Fe-Li-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Fe-Li-O +mp-771057,Li(FeO2)2,-7.1050215982000005,-1.585633008,0.1393200531,0.1393200531,GGA+U,P6_3mc,A2BC4_hP28_186_bc_ab_ab2c:Fe-Li-O,28.0,"Invalid WP multiplicities - A2BC4_hP28_186_2b3c_a2b_a2b9c:Fe-Li-O, expected Li3Fe11O30 to be Li(FeO2)2" +mp-25386,Li(FeO2)2,-7.211963349999999,-1.6925747598,0.0323783013,0.0323783013,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Li-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Li-O +mp-753008,Li13(FeO6)2,-5.5721613752,-1.8271130707,0.0666300272,0.0666300272,GGA+U,P1,A2B13C12_aP27_1_2a_13a_12a:Fe-Li-O,27.0,A2B13C12_aP27_1_2a_13a_12a:Fe-Li-O +mp-667309,Li2SeO4,-5.2086497705,-1.3371480482,0.5145901719,0.3946683264,GGA,P1,A2B4C_aP42_1_12a_24a_6a:Li-O-Se,42.0,A2B4C_aP42_1_12a_24a_6a:Li-O-Se +mp-1181148,Li2SeO4,-5.292961966,-1.4214602437,0.4302779764,0.310356131,GGA,P1,A2B4C_aP42_1_12a_24a_6a:Li-O-Se,42.0,A2B4C_aP42_1_12a_24a_6a:Li-O-Se +mp-1181354,Li2SeO4,-5.2603625874,-1.3888608651,0.462877355,0.3429555095,GGA,P1,A2B4C_aP42_1_12a_24a_6a:Li-O-Se,42.0,A2B4C_aP42_1_12a_24a_6a:Li-O-Se +mp-650121,Li2SeO4,-5.2133662902,-1.341864568,0.5098736521,0.3899518067,GGA,P-1,A2B4C_aP42_2_6i_12i_3i:Li-O-Se,42.0,"Invalid WP multiplicities - A2B4C_aP42_2_11i_23i_5i:Li-O-Se, expected Li11Se5O23 to be Li2SeO4" +mp-4855,Li2SeO4,-5.7232399424,-1.8517382201,0.0,-0.1199218455,GGA,R-3,A2B4C_hR126_148_2f_4f_f:Li-O-Se,42.0,"Invalid WP multiplicities - A2B4C_hR126_148_2f_9f_f:Li-O-Se, expected Li2SeO9 to be Li2SeO4" +mp-1180938,Li2SeO4,-5.6370461307,-1.7655444084,0.0861938117,-0.0337280338,GGA,R-3,A2B4C_hR126_148_2f_4f_f:Li-O-Se,42.0,"Invalid WP multiplicities - A2B4C_hR126_148_6f_18f_f:Li-O-Se, expected Li6SeO18 to be Li2SeO4" +mp-758099,Li15(FeO6)2,-5.5304683662,-1.9120494022,0.0514539626,0.0514539626,GGA+U,P1,A2B15C12_aP29_1_2a_15a_12a:Fe-Li-O,29.0,A2B15C12_aP29_1_2a_15a_12a:Fe-Li-O +mp-763305,Li8FeO6,-5.5308829843,-1.9694472236,0.0247544713,0.0247544713,GGA+U,Cmc2_1,AB8C6_oC60_36_a_2a3b_2a2b:Fe-Li-O,30.0,"Invalid WP multiplicities - AB8C6_oC60_36_a_3a9b_3a6b:Fe-Li-O, expected Li21FeO15 to be Li8FeO6" +mp-818574,Fe(SeO3)3,-6.0271666417,-1.1442470999,0.0827524117,0.0827524117,GGA+U,P2_1/c,AB9C3_mP52_14_e_9e_3e:Fe-O-Se,52.0,AB9C3_mP52_14_e_9e_3e:Fe-O-Se +mp-1176883,Li7Fe5O16,-6.3139643025,-1.4975505348,0.1488179102,0.1488179102,GGA+U,P1,A5B7C16_aP28_1_5a_7a_16a:Fe-Li-O,28.0,A5B7C16_aP28_1_5a_7a_16a:Fe-Li-O +mp-772996,Li9Fe23O32,-7.4897006123,-1.7040001062,0.0388276932,0.0388276932,GGA+U,C2,A23B9C32_mC128_5_2a3b9c_2ab3c_16c:Fe-Li-O,64.0,"Invalid WP multiplicities - A23B9C32_mC128_5_2a3b17c_2ab5c_32c:Fe-Li-O, expected Li13Fe39O64 to be Li9Fe23O32" +mp-1120820,Li2Fe4O7,-7.1978315492,-1.6343891221,0.2197537088,0.2197537088,GGA+U,P-31m,A4B2C7_hP13_162_de_c_ak:Fe-Li-O,13.0,"Invalid WP multiplicities - A4B2C7_hP13_162_de_c_a2k:Fe-Li-O, expected Li2Fe4O13 to be Li2Fe4O7" +mp-1177119,Li6Fe3O8,-6.3352404471,-1.8389398282,0.1115121245,0.1115121245,GGA+U,P-1,A3B6C8_aP34_2_abcefh_6i_8i:Fe-Li-O,34.0,"Invalid WP multiplicities - A3B6C8_aP34_2_ab2cef_12i_16i:Fe-Li-O, expected Li12Fe3O16 to be Li6Fe3O8" +mp-762529,Li2(FeO2)5,-7.1639953618,-1.5384166032,0.1346259088,0.1346259088,GGA+U,P-1,A5B2C10_aP17_2_a2i_i_5i:Fe-Li-O,17.0,"Invalid WP multiplicities - A5B2C10_aP17_2_a3i_i_9i:Fe-Li-O, expected Li2Fe7O18 to be Li2(FeO2)5" +mp-759241,Li4Fe7O12,-7.289668625,-1.7989684306,0.0554079048,0.0554079048,GGA+U,P2_1,A7B4C12_mP46_4_7a_4a_12a:Fe-Li-O,46.0,A7B4C12_mP46_4_14a_8a_24a:Fe-Li-O +mp-755232,Li4FeO4,-5.8632869875,-1.8752350406,0.0691278431,0.0691278431,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Fe-Li-O,36.0,AB4C4_aP18_2_i_4i_4i:Fe-Li-O +mp-756862,Li7Fe5O12,-6.6911565433,-1.8964552662,0.0156288909,0.0156288909,GGA+U,C2,A5B7C12_mC48_5_2abc_a2b2c_6c:Fe-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_2abc_a2b4c_6c:Fe-Li-O, expected Li11Fe5O12 to be Li7Fe5O12" +mp-1176882,Li7Fe5O12,-6.6760279663,-1.8813266891,0.030757468,0.030757468,GGA+U,C2,A5B7C12_mC48_5_2a3b_a3c_6c:Fe-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_2a3b_a3c_9c:Fe-Li-O, expected Li7Fe5O18 to be Li7Fe5O12" +mp-1201086,Fe(SeO3)2,-6.2386924275,-1.2229172683,0.0950750533,0.0950750533,GGA+U,P2_1/c,AB6C2_mP36_14_e_6e_2e:Fe-O-Se,36.0,AB6C2_mP36_14_e_6e_2e:Fe-O-Se +mp-25261,Fe(SeO3)2,-6.2269421322,-1.211166973,0.1068253486,0.1068253486,GGA+U,I-42d,AB6C2_tI72_122_d_3e_e:Fe-O-Se,36.0,"Invalid WP multiplicities - AB6C2_tI72_122_d_15e_e:Fe-O-Se, expected Fe(SeO15)2 to be Fe(SeO3)2" +mp-806082,Li7Fe3O8,-3.9692783742,0.3832790362,2.3827195794,2.3827195794,GGA+U,P-1,A3B7C8_aP36_2_3i_7i_8i:Fe-Li-O,36.0,"Invalid WP multiplicities - A3B7C8_aP36_2_5i_13i_15i:Fe-Li-O, expected Li13(FeO3)5 to be Li7Fe3O8" +mp-780192,Li5FeO4,-5.7756257765,-1.9954867377,0.0470479245,0.0199556273,GGA+U,P1,AB5C4_aP40_1_4a_20a_16a:Fe-Li-O,40.0,AB5C4_aP40_1_4a_20a_16a:Fe-Li-O +mp-780207,Li5FeO4,-5.7653947373,-1.9852556984,0.0572789637,0.0301866665,GGA+U,P1,AB5C4_aP40_1_4a_20a_16a:Fe-Li-O,40.0,AB5C4_aP40_1_4a_20a_16a:Fe-Li-O +mp-770834,Li5FeO4,-5.776769936,-1.9966308972,0.045903765,0.0188114678,GGA+U,P2_1/c,AB5C4_mP40_14_e_5e_4e:Fe-Li-O,40.0,"Invalid WP multiplicities - AB5C4_mP40_14_e_17e_15e:Fe-Li-O, expected Li17FeO15 to be Li5FeO4" +mp-770923,Li5FeO4,-5.7512949895,-1.9711559507,0.0713787115,0.0442864143,GGA+U,P2_1/c,AB5C4_mP40_14_e_5e_4e:Fe-Li-O,40.0,"Invalid WP multiplicities - AB5C4_mP40_14_e_9e_11e:Fe-Li-O, expected Li9FeO11 to be Li5FeO4" +mp-779333,Li5FeO4,-5.7533293133,-1.9731902744,0.0693443878,0.0422520905,GGA+U,Pnnm,AB5C4_oP40_58_g_e2gh_2gh:Fe-Li-O,40.0,"Invalid WP multiplicities - AB5C4_oP40_58_g_2e6g4h_6g3h:Fe-Li-O, expected Li16FeO12 to be Li5FeO4" +mp-779889,Li5FeO4,-5.734582384,-1.9544433452,0.088091317,0.0609990198,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Fe-Li-O, expected Li17FeO13 to be Li5FeO4" +mp-19511,Li5FeO4,-5.822673701,-2.0425346622,0.0,-0.0270922972,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_8c_7c:Fe-Li-O, expected Li8FeO7 to be Li5FeO4" +mp-505098,Fe2(SeO4)3,-6.3703001624,-1.2651212572,0.0,-0.1075331119,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Fe-O-Se,68.0,A2B12C3_mP68_14_2e_12e_3e:Fe-O-Se +mp-756644,Li8Fe7O15,-6.273743332,-1.3150145963,0.6171628033000001,0.6171628033000001,GGA+U,C2/m,A7B8C15_mC60_12_a3i_4i_b7i:Fe-Li-O,30.0,"Invalid WP multiplicities - A7B8C15_mC60_12_a5i_6i_b13i:Fe-Li-O, expected Li12Fe11O27 to be Li8Fe7O15" +mp-1176945,Li8Fe7O15,-6.819814225,-1.8610854893,0.0710919103,0.0710919103,GGA+U,C2/m,A7B8C15_mC60_12_a3i_4i_d7i:Fe-Li-O,30.0,"Invalid WP multiplicities - A7B8C15_mC60_12_a5i_7i_c13i:Fe-Li-O, expected Li14Fe11O27 to be Li8Fe7O15" +mp-1194306,FeSeO5,-6.0047205807,-0.7619525459000001,0.4655092729,0.4655092729,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Fe-O-Se,28.0,AB5C_mP28_14_e_5e_e:Fe-O-Se +mp-1104227,FeSeO5,-6.3410037821,-1.0982357473,0.1292260715,0.1292260715,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Fe-O-Se,14.0,AB5C_mC28_15_c_e2f_e:Fe-O-Se +mp-752471,Li7FeO6,-5.5557843136,-1.8763119176,0.0543003793,0.0543003793,GGA+U,R3,AB7C6_hR42_146_a_a2b_2b:Fe-Li-O,14.0,AB7C6_aP14_1_a_7a_6a:Fe-Li-O +mp-760142,Li12Fe5O16,-6.1958527585,-1.8199679152,0.0765640856,0.0765640856,GGA+U,P1,A5B12C16_aP33_1_5a_12a_16a:Fe-Li-O,33.0,A5B12C16_aP33_1_5a_12a_16a:Fe-Li-O +mp-1176887,Li7Fe3O10,-6.184428142,-1.7724576015,0.0833589145,0.0833589145,GGA+U,P-1,A3B7C10_aP20_2_bi_c3i_5i:Fe-Li-O,20.0,"Invalid WP multiplicities - A3B7C10_aP20_2_bi_c6i_9i:Fe-Li-O, expected Li13(FeO6)3 to be Li7Fe3O10" +mp-1303136,Li2FeO3,-6.3991256867,-1.8778035072,0.0007919125,-0.025843971,GGA+U,P-1,AB2C3_aP12_2_i_bci_3i:Fe-Li-O,24.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_bci_5i:Fe-Li-O, expected Li2FeO5 to be Li2FeO3" +mp-774155,Li2FeO3,-6.3999175992,-1.8785954197,0.0,-0.0266358835,GGA+U,C2,AB2C3_mC24_5_2a_a3b_3c:Fe-Li-O,24.0,"Invalid WP multiplicities - AB2C3_mC24_5_4a_a3b_3c:Fe-Li-O, expected Li2Fe2O3 to be Li2FeO3" +mp-849695,Li2FeO3,-6.3421251108,-1.8208029313,0.0577924883,0.0311566048,GGA+U,C2/m,AB2C3_mC24_12_i_aci_3i:Fe-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_adi_5i:Fe-Li-O, expected Li2FeO5 to be Li2FeO3" +mp-887724,Li2FeO3,-6.3964042738,-1.8750820942,0.0035133254,-0.0231225581,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Fe-Li-O,24.0,AB2C3_mC24_12_g_ach_ij:Fe-Li-O +mp-759394,Li2FeO3,-6.3330524887,-1.8117303092,0.0668651104,0.0402292269,GGA+U,Pnna,AB2C3_oP24_52_c_2c_de:Fe-Li-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_52_c_4c_3d2e:Fe-Li-O, expected Li4FeO7 to be Li2FeO3" +mp-1101736,LiFe3O4,-7.5627093487,-1.674491681,0.0393725334,0.0393725334,GGA+U,P-1,A3BC4_aP8_2_bcd_h_2i:Fe-Li-O,8.0,"Invalid WP multiplicities - A3BC4_aP8_2_bcd_h_3i:Fe-Li-O, expected Li(FeO2)3 to be LiFe3O4" +mp-773525,LiFe3O4,-7.560905365,-1.6726876973,0.0411765172,0.0411765172,GGA+U,P2/m,A3BC4_mP8_10_bcd_h_mn:Fe-Li-O,8.0,"Invalid WP multiplicities - A3BC4_mP8_10_bce_g_m2n:Fe-Li-O, expected Li(FeO2)3 to be LiFe3O4" +mp-1176726,LiFe3O4,-7.562757579999999,-1.6745399123,0.0393243022,0.0393243022,GGA+U,C2/c,A3BC4_mC32_15_abc_d_2f:Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC4_mC32_15_2ab2c_d_7f:Fe-Li-O, expected LiFe5O14 to be LiFe3O4" +mp-772508,LiFe3O4,-7.5157193025,-1.6275016348,0.0863625797,0.0863625797,GGA+U,Cmmm,A3BC4_oC16_65_af_b_gj:Fe-Li-O,8.0,"Invalid WP multiplicities - A3BC4_oC16_65_a2f_b_2hi:Fe-Li-O, expected LiFe5O6 to be LiFe3O4" +mp-756856,Li5Fe7O12,-7.1848694404,-1.843409968,0.0249266999,0.0249266999,GGA+U,C2,A7B5C12_mC48_5_2a3bc_a2c_6c:Fe-Li-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_5_2a3b2c_a4c_6c:Fe-Li-O, expected Li3Fe3O4 to be Li5Fe7O12" +mp-753083,Li3(FeO2)4,-6.9987390273,-1.720048152,0.1225688203,0.1225688203,GGA+U,P1,A4B3C8_aP15_1_4a_3a_8a:Fe-Li-O,15.0,A4B3C8_aP15_1_4a_3a_8a:Fe-Li-O +mp-758469,Li3(FeO2)4,-7.023655422,-1.7449645467,0.0976524256,0.0976524256,GGA+U,C2/m,A4B3C8_mC30_12_bcf_ae_gh2i:Fe-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_mC30_12_ace_bf_2g2h3i:Fe-Li-O, expected Li3(Fe2O7)2 to be Li3(FeO2)4" +mp-756480,Li3(FeO2)4,-7.0859696833,-1.807278808,0.0353381643,0.0353381643,GGA+U,R-3m,A4B3C8_hR45_166_ae_d_ch:Fe-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_hR45_166_ae_d_2c3h:Fe-Li-O, expected Li3(Fe2O11)2 to be Li3(FeO2)4" +mp-780203,Li9(FeO4)2,-5.8015125321,-1.9228884316,0.0731438092,0.0731438092,GGA+U,P1,A2B9C8_aP38_1_4a_18a_16a:Fe-Li-O,38.0,A2B9C8_aP38_1_4a_18a_16a:Fe-Li-O +mp-774501,Li9(FeO4)2,-5.7896960905,-1.91107199,0.0849602508,0.0849602508,GGA+U,C2,A2B9C8_mC38_5_ab_2ab3c_4c:Fe-Li-O,19.0,"Invalid WP multiplicities - A2B9C8_mC38_5_ab_2ab6c_8c:Fe-Li-O, expected Li15(FeO8)2 to be Li9(FeO4)2" +mp-759144,Li9(FeO4)2,-5.7859892455,-1.907365145,0.0886670958,0.0886670958,GGA+U,Pc,A2B9C8_mP38_7_2a_9a_8a:Fe-Li-O,38.0,A2B9C8_mP38_7_4a_18a_16a:Fe-Li-O +mp-1194671,Li2SeO7,-4.8641580555,-0.6701002365000001,0.6261165175,0.6261165175,GGA,Pnna,A2B7C_oP40_52_e_c3e_d:Li-O-Se,40.0,A2B7C_oP40_52_e_c3e_d:Li-O-Se +mp-555589,Fe2(Se2O5)3,-6.1903956552,-1.3157938311,0.0,-0.0406144613,GGA+U,P2_1/c,A2B15C6_mP92_14_2e_15e_6e:Fe-O-Se,92.0,"Invalid WP multiplicities - A2B15C6_mP92_14_7e_56e_22e:Fe-O-Se, expected Fe7(Se11O28)2 to be Fe2(Se2O5)3" +mp-780305,Li6Fe5O12,-6.7063477459000005,-1.7861778422,0.0595966362,0.0595966362,GGA+U,P1,A5B6C12_aP46_1_10a_12a_24a:Fe-Li-O,46.0,A5B6C12_aP46_1_10a_12a_24a:Fe-Li-O +mp-780188,Li6Fe5O12,-6.7307794513,-1.8106095476,0.0351649308,0.0351649308,GGA+U,C2,A5B6C12_mC46_5_a2bc_2a2c_6c:Fe-Li-O,23.0,"Invalid WP multiplicities - A5B6C12_mC46_5_a2bc_2a4c_11c:Fe-Li-O, expected Li10Fe5O22 to be Li6Fe5O12" +mp-780216,Li5Fe3O8,-6.5029149188,-1.8449031904,0.050436598,0.050436598,GGA+U,P1,A3B5C8_aP32_1_6a_10a_16a:Fe-Li-O,32.0,A3B5C8_aP32_1_6a_10a_16a:Fe-Li-O +mp-1177185,Li5Fe3O8,-6.5032671212,-1.8452553929,0.0500843955,0.0500843955,GGA+U,P2_1,A3B5C8_mP32_4_3a_5a_8a:Fe-Li-O,32.0,"Invalid WP multiplicities - A3B5C8_mP32_4_4a_9a_15a:Fe-Li-O, expected Li9Fe4O15 to be Li5Fe3O8" +mp-770885,Li3FeO3,-6.0942263161,-1.9461040384,0.0687272616,0.0687272616,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_7e_11e:Fe-Li-O, expected Li7FeO11 to be Li3FeO3" +mp-1665973,Li3FeO3,-6.042841915,-1.8947196373,0.1201116627,0.1201116627,GGA+U,Pmn2_1,AB3C3_oP28_31_2a_6a_6a:Fe-Li-O,28.0,AB3C3_tP28_136_f_fi_gi:Fe-Li-O +mp-770886,Li3FeO3,-6.1172451536,-1.9691228759,0.0457084241,0.0457084241,GGA+U,Pnma,AB3C3_oP28_62_c_cd_a2c:Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_2c3d_2a6c:Fe-Li-O, expected Li8FeO8 to be Li3FeO3" +mp-1663732,Li3FeO3,-6.0849250332,-1.9368027555,0.0780285445,0.0780285445,GGA+U,Cmmm,AB3C3_oC56_65_gj_gjpq_hipq:Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C3_oC56_65_gj_2gj3p4q_2hi3p4q:Fe-Li-O, expected Li17Fe2O17 to be Li3FeO3" +mp-771894,Li3FeO3,-6.08940821,-1.9412859323,0.0735453677,0.0735453677,GGA+U,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Fe-Li-O, expected Li8FeO7 to be Li3FeO3" +mp-779474,Li8Fe2O7,-5.8925714522,-1.9609099033,0.0702174921,0.0702174921,GGA+U,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Fe-Li-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:Fe-Li-O, expected Li31(FeO9)3 to be Li8Fe2O7" +mp-1211104,LiSeO3,-5.48385317,-1.4348730744,0.2078412107,0.2078412107,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:Li-O-Se,20.0,AB3C_oP20_19_a_3a_a:Li-O-Se +mp-850218,Li35(FeO4)8,-5.840653318,-1.9357665344,0.0478650607,0.0478650607,GGA+U,P1,A8B35C32_aP75_1_8a_35a_32a:Fe-Li-O,75.0,A8B35C32_aP75_1_8a_35a_32a:Fe-Li-O +mp-752680,Li4FeO3,-5.7757440853,-1.907521734,0.0523432359,0.0523432359,GGA+U,Cc,AB4C3_mC32_9_2a_8a_6a:Fe-Li-O,32.0,AB4C3_mC32_9_a_4a_3a:Fe-Li-O +mp-772983,Li8Fe2O9,-5.8829672433,-1.8444607299,0.0173321125,0.0173321125,GGA+U,P-1,A2B8C9_aP76_2_4i_16i_18i:Fe-Li-O,76.0,"Invalid WP multiplicities - A2B8C9_aP76_2_7i_31i_35i:Fe-Li-O, expected Li31(FeO5)7 to be Li8Fe2O9" +mp-4426,Li4SeO5,-5.5380743495,-1.9515696994,0.0,-0.0367463418,GGA,C2/c,A4B5C_mC40_15_2f_e2f_e:Li-O-Se,20.0,"Invalid WP multiplicities - A4B5C_mC40_15_3f_e3f_e:Li-O-Se, expected Li6SeO7 to be Li4SeO5" +mp-1222957,Li2Fe3O4,-6.8949551033,-1.4488813024,0.2805168261,0.2805168261,GGA+U,Imma,A3B2C4_oI36_74_abc_de_hi:Fe-Li-O,18.0,"Invalid WP multiplicities - A3B2C4_oI36_74_abc_de_2h2i:Fe-Li-O, expected Li2Fe3O8 to be Li2Fe3O4" +mp-752897,Li3Fe7O12,-7.3836886336,-1.7301803789,0.1073388042,0.1073388042,GGA+U,C2,A7B3C12_mC44_5_2a3bc_ac_6c:Fe-Li-O,22.0,"Invalid WP multiplicities - A7B3C12_mC44_5_2a3b2c_ac_10c:Fe-Li-O, expected Li3Fe9O20 to be Li3Fe7O12" +mp-1282942,Li3FeO4,-6.0105669506,-1.7626238687,0.0590242919,0.0590242919,GGA+U,C2/m,AB3C4_mC64_12_2i_abehij_4i2j:Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4_mC64_12_2i_abehij_7i4j:Fe-Li-O, expected Li6Fe2O15 to be Li3FeO4" +mp-764163,Li3FeO4,-6.0120100125,-1.7640669306,0.05758123,0.05758123,GGA+U,Amm2,AB3C4_oC16_38_a_ae_2ae:Fe-Li-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_b2f_2g2j:Fe-Li-O, expected Li5FeO8 to be Li3FeO4" +mp-1279318,Li3FeO4,-6.0012099319,-1.7532668500000002,0.0683813106,0.0683813106,GGA+U,Aea2,AB3C4_oC32_41_a_ab_2ab:Fe-Li-O,16.0,AB3C4_oC32_41_a_ab_2ab:Fe-Li-O +mp-760335,Li3FeO4,-6.01227255,-1.7643294681,0.0573186925,0.0573186925,GGA+U,Cmmm,AB3C4_oC16_65_a_bf_gj:Fe-Li-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_b2f_2g2j:Fe-Li-O, expected Li5FeO8 to be Li3FeO4" +mp-1276702,Li3FeO4,-6.0083042319,-1.76036115,0.0612870106,0.0612870106,GGA+U,Immm,AB3C4_oI64_71_2e_2fkl_gh2mn:Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4_oI64_71_2e_3f4k4l_2g2h5m4n:Fe-Li-O, expected Li19(FeO11)2 to be Li3FeO4" +mp-754360,Li3FeO4,-6.0082635162,-1.7603204344,0.0613277263,0.0613277263,GGA+U,I4/mmm,AB3C4_tI16_139_a_bd_ce:Fe-Li-O,8.0,"Invalid WP multiplicities - AB3C4_tI16_139_a_bd_2c2e:Fe-Li-O, expected Li3FeO8 to be Li3FeO4" +mp-849528,Li3FeO4,-6.0530959387,-1.8051528569,0.0164953038,0.0164953038,GGA+U,I-43m,AB3C4_cI64_217_c_g_cg:Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4_cI64_217_c_g_2c3g:Fe-Li-O, expected Li3FeO11 to be Li3FeO4" +mp-756497,LiFeO2,-6.986277358,-1.9181969832,0.0273759114,-0.0430022875,GGA+U,P-1,ABC2_aP20_2_b2i_e2i_5i:Fe-Li-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b3i_e4i_9i:Fe-Li-O, expected Li9Fe7O18 to be LiFeO2" +mp-757614,LiFeO2,-7.0136532694,-1.9455728946,0.0,-0.0703781989,GGA+U,Pmmn,ABC2_oP8_59_a_a_2b:Fe-Li-O,16.0,ABC2_oP8_59_a_a_2b:Fe-Li-O +mp-850511,LiFeO2,-6.9333273523,-1.8652469776,0.080325917,0.0099477182,GGA+U,Pbca,ABC2_oP64_61_2c_2c_4c:Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_5c_5c_13c:Fe-Li-O, expected Li5Fe5O13 to be LiFeO2" +mp-756527,LiFeO2,-6.9361017831,-1.8680214083,0.0775514862,0.0071732874,GGA+U,Imma,ABC2_oI32_74_ac_bd_2ef:Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2_oI32_74_a2c_b2d_4e2f:Fe-Li-O, expected Li3Fe3O8 to be LiFeO2" +mp-1222302,LiFeO2,-6.8939236675,-1.8258432927,0.1197296019,0.049351403,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Fe-Li-O,4.0,ABC2_tP4_123_a_d_bc:Fe-Li-O +mp-18782,LiFeO2,-6.9934313562,-1.9253509815,0.0202219131,-0.0501562857,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:Fe-Li-O,8.0,ABC2_tI16_141_a_b_e:Fe-Li-O +mp-19419,LiFeO2,-6.9387798725,-1.8706994977,0.0748733969,0.004495198,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Fe-Li-O,4.0,ABC2_hR12_166_a_b_c:Fe-Li-O +mp-754977,LiFeO2,-6.9748860712,-1.9068056965,0.0387671981,-0.0316110007,GGA+U,P6_3mc,ABC2_hP8_186_b_b_ab:Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2_hP8_186_b_b_a2b:Fe-Li-O, expected LiFeO3 to be LiFeO2" +mp-755709,LiFeO2,-7.0123742375,-1.9442938627,0.0012790319,-0.069099167,GGA+U,Fd-3m,ABC2_cF64_227_c_d_e:Fe-Li-O,16.0,ABC2_cF64_227_c_d_e:Fe-Li-O +mp-887746,LiFe(Se2O5)2,-6.0411921278,-1.4268498091,0.0034546978,0.0034546978,GGA+U,Pnc2,ABC10D4_oP32_30_a_b_ab4c_2c:Fe-Li-O-Se,64.0,ABC10D4_oP32_30_a_b_ab4c_2c:Fe-Li-O-Se +mp-770655,Li3Fe5O9,-7.2461090797,-1.7992224296,0.0764333575,0.0764333575,GGA+U,C2/c,A5B3C9_mC68_15_e2f_ef_e4f:Fe-Li-O,34.0,"Invalid WP multiplicities - A5B3C9_mC68_15_e4f_e2f_e8f:Fe-Li-O, expected Li5Fe9O17 to be Li3Fe5O9" +mp-760833,LiFeO3,-6.4781542227,-1.4343521806,0.1312033454,0.1312033454,GGA+U,Cm,ABC3_mC120_8_6b_10ab_12a12b:Fe-Li-O,60.0,"Invalid WP multiplicities - ABC3_mC120_8_12b_10a2b_12a24b:Fe-Li-O, expected Li7(Fe2O5)6 to be LiFeO3" +mp-752790,LiFeO3,-6.437056763,-1.3932547209,0.1723008051,0.1723008051,GGA+U,C2/m,ABC3_mC20_12_i_ac_3i:Fe-Li-O,10.0,"Invalid WP multiplicities - ABC3_mC20_12_i_ad_6i:Fe-Li-O, expected LiFeO6 to be LiFeO3" +mp-761189,LiFeO3,-6.177499294,-1.1336972519,0.4318582741,0.4318582741,GGA+U,C2/m,ABC3_mC20_12_i_i_3i:Fe-Li-O,10.0,"Invalid WP multiplicities - ABC3_mC20_12_i_i_5i:Fe-Li-O, expected LiFeO5 to be LiFeO3" +mp-752521,LiFeO3,-6.462050524,-1.4182484819,0.1473070441,0.1473070441,GGA+U,C2/c,ABC3_mC40_15_f_2e_3f:Fe-Li-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_2e_6f:Fe-Li-O, expected LiFeO6 to be LiFeO3" +mp-756941,LiFeO3,-6.4609133395,-1.4171112974,0.1484442286,0.1484442286,GGA+U,Pnna,ABC3_oP20_52_c_c_de:Fe-Li-O,20.0,"Invalid WP multiplicities - ABC3_oP20_52_c_c_3d2e:Fe-Li-O, expected LiFeO7 to be LiFeO3" +mp-1185320,LiFeO3,-6.294544592,-1.2507425499,0.3148129761,0.3148129761,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Fe-Li-O,5.0,ABC3_cP5_221_b_a_c:Fe-Li-O +mp-769519,Li21(FeO4)4,-5.7337761698000005,-1.9992765498,0.0285533444,0.0285533444,GGA+U,C2,A4B21C16_mC82_5_abc_2ab9c_8c:Fe-Li-O,41.0,"Invalid WP multiplicities - A4B21C16_mC82_5_abc_2ab17c_16c:Fe-Li-O, expected Li37(FeO8)4 to be Li21(FeO4)4" +mp-781016,Li14Fe4O13,-5.9538013358,-1.9243833287,0.0993845397,0.0993845397,GGA+U,P2_1/c,A4B14C13_mP62_14_2e_7e_a6e:Fe-Li-O,62.0,"Invalid WP multiplicities - A4B14C13_mP62_14_7e_27e_2a24e:Fe-Li-O, expected Li27Fe7O25 to be Li14Fe4O13" +mp-1282759,LiFe2O3,-7.3392705,-1.7244319299000002,0.0666685112,0.0666685112,GGA+U,P1,A2BC3_aP6_1_2a_a_3a:Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3_aP6_1_4a_a_3a:Fe-Li-O, expected LiFe4O3 to be LiFe2O3" +mp-2411688,LiFe2O3,-7.34588348,-1.7310449099,0.0600555312,0.0600555312,GGA+U,Cm,A2BC3_mC12_8_2a_a_3a:Fe-Li-O,6.0,A2BC3_mC12_8_2a_a_3a:Fe-Li-O +mp-1298536,LiFe2O3,-7.3785936083,-1.7637550383,0.0273454029,0.0273454029,GGA+U,P2_1/m,A2BC3_mP12_11_2e_e_3e:Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3_mP12_11_2e_e_4e:Fe-Li-O, expected Li(FeO2)2 to be LiFe2O3" +mp-1309364,LiFe2O3,-7.3630003133,-1.7481617433,0.0429386979,0.0429386979,GGA+U,C2/m,A2BC3_mC24_12_2i_ad_3i:Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_3i_ac_4i:Fe-Li-O, expected LiFe3O4 to be LiFe2O3" +mp-756381,LiFe2O3,-7.311844805,-1.6970062349,0.0940942062,0.0940942062,GGA+U,P-3m1,A2BC3_hP6_164_d_a_bd:Fe-Li-O,6.0,A2BC3_mC12_5_c_a_bc:Fe-Li-O +mp-771986,Li4Fe3O8,-6.542021948,-1.7007376289,0.0918110275,0.0918110275,GGA+U,R-3m,A3B4C8_hR45_166_e_ad_ch:Fe-Li-O,15.0,"Invalid WP multiplicities - A3B4C8_hR45_166_e_ad_2c2h:Fe-Li-O, expected Li4Fe3O16 to be Li4Fe3O8" +mp-775127,Li4Fe3O8,-6.566930962,-1.7256466429,0.0669020135,0.0669020135,GGA+U,R-3m,A3B4C8_hR45_166_d_abc_ch:Fe-Li-O,15.0,"Invalid WP multiplicities - A3B4C8_hR45_166_d_ab2c_2c2h:Fe-Li-O, expected Li6Fe3O16 to be Li4Fe3O8" +mp-29100,Fe2Se2O7,-6.3121734864,-0.9886565451,0.4459436188,0.4459436188,GGA+U,Pccn,A2B7C2_oP88_56_cde_7e_2e:Fe-O-Se,88.0,A2B7C2_oP88_56_cde_7e_2e:Fe-O-Se +mp-726416,Li(SeO3)2,-5.5036271489,-1.2168629167,0.117206355,0.117206355,GGA,Pc,AB6C2_mP18_7_a_6a_2a:Li-O-Se,18.0,AB6C2_mP18_7_a_6a_2a:Li-O-Se +mp-1188173,Li(SeO3)2,-5.486256735,-1.1994925028,0.1345767689,0.1345767689,GGA,Pc,AB6C2_mP18_7_a_6a_2a:Li-O-Se,18.0,AB6C2_mP18_7_a_6a_2a:Li-O-Se +mp-1190045,Li(SeO3)2,-5.3776979544,-1.0909337223,0.2431355494,0.2431355494,GGA,Pc,AB6C2_mP18_7_a_6a_2a:Li-O-Se,18.0,AB6C2_mP18_7_a_6a_2a:Li-O-Se +mp-685404,Li10Fe21O32,-7.3190502251,-1.6801024023000002,0.1144832125,0.1144832125,GGA+U,P1,A21B10C32_aP63_1_21a_10a_32a:Fe-Li-O,63.0,A21B10C32_aP63_1_21a_10a_32a:Fe-Li-O +mp-1177704,Li3Fe3O8,-6.6179032689,-1.5671645604000002,0.1069673567,0.1069673567,GGA+U,Cc,A3B3C8_mC56_9_3a_3a_8a:Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C8_mC56_9_5a_5a_14a:Fe-Li-O, expected Li5Fe5O14 to be Li3Fe3O8" +mp-1273581,Li3Fe3O8,-6.65588865,-1.6051499414,0.0689819756,0.0689819756,GGA+U,C2/m,A3B3C8_mC28_12_ce_ai_2ij:Fe-Li-O,14.0,"Invalid WP multiplicities - A3B3C8_mC28_12_c2e_ai_4i4j:Fe-Li-O, expected Li3Fe5O24 to be Li3Fe3O8" +mp-1299455,Li3Fe3O8,-6.6561076118,-1.6053689032,0.0687630138,0.0687630138,GGA+U,C2/c,A3B3C8_mC56_15_abe_cf_4f:Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C8_mC56_15_2abe_cf_9f:Fe-Li-O, expected Li3(Fe2O9)2 to be Li3Fe3O8" +mp-1308681,Li3Fe3O8,-6.6548124632,-1.6040737546,0.0700581624,0.0700581624,GGA+U,C2/c,A3B3C8_mC56_15_abc_ef_4f:Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C8_mC56_15_a2c2d_ef_11f:Fe-Li-O, expected Li3Fe5O22 to be Li3Fe3O8" +mp-756816,Li3Fe3O8,-6.5747963593000005,-1.5240576507,0.1500742663,0.1500742663,GGA+U,Imm2,A3B3C8_oI28_44_ac_bd_2c2d:Fe-Li-O,14.0,"Invalid WP multiplicities - A3B3C8_oI28_44_a2c_bd_4c2d:Fe-Li-O, expected Li3Fe5O12 to be Li3Fe3O8" +mp-758388,Li3Fe3O8,-6.651006,-1.6002672914,0.0738646256,0.0738646256,GGA+U,R-3m,A3B3C8_hR42_166_d_ac_ch:Fe-Li-O,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_d_ac_2c2h:Fe-Li-O, expected Li3Fe3O16 to be Li3Fe3O8" +mp-756955,Li3Fe3O8,-6.6157671418,-1.5650284332000002,0.1091034838,0.1091034838,GGA+U,P6_3mc,A3B3C8_hP28_186_c_a2b_ab2c:Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C8_hP28_186_c_a4b_a2b9c:Fe-Li-O, expected Li5(FeO10)3 to be Li3Fe3O8" +mp-762575,Li2(FeO2)3,-7.0862008682,-1.7309243563,0.0742540988,0.0742540988,GGA+U,P1,A3B2C6_aP22_1_6a_4a_12a:Fe-Li-O,22.0,A3B2C6_aP22_1_6a_4a_12a:Fe-Li-O +mp-753191,Li2(FeO2)3,-6.9419421455,-1.5866656336,0.2185128215,0.2185128215,GGA+U,Cc,A3B2C6_mC44_9_3a_2a_6a:Fe-Li-O,22.0,A3B2C6_mC44_9_6a_4a_12a:Fe-Li-O +mp-758515,Li2(FeO2)3,-7.0336456182,-1.6783691063,0.1268093488,0.1268093488,GGA+U,C2/m,A3B2C6_mC22_12_ag_h_ij:Fe-Li-O,11.0,"Invalid WP multiplicities - A3B2C6_mC22_12_a2g_h_2ij:Fe-Li-O, expected Li2Fe5O8 to be Li2(FeO2)3" +mp-1178060,Li2(FeO2)3,-7.0668894682,-1.7116129563,0.0935654988,0.0935654988,GGA+U,Cmce,A3B2C6_oC44_64_ad_e_fg:Fe-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_oC44_64_ad_e_2f2g:Fe-Li-O, expected Li2(FeO4)3 to be Li2(FeO2)3" +mp-752883,Li2(FeO2)3,-7.0978908241,-1.7426143122000002,0.0625641429,0.0625641429,GGA+U,Fddd,A3B2C6_oF88_70_ae_e_fh:Fe-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_oF88_70_2a3e_e_3f4h:Fe-Li-O, expected LiFe4O11 to be Li2(FeO2)3" +mp-754639,FeSeO4,-6.6336644604,-1.3415498716,0.0319945978,0.0319945978,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Fe-O-Se,24.0,AB4C_oC24_63_a_fg_c:Fe-O-Se +mp-1638858,Li8(FeO2)5,-6.4594772457000005,-1.8034608937,0.0996791653,0.0996791653,GGA+U,P1,A5B8C10_aP23_1_5a_8a_10a:Fe-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP23_1_10a_8a_10a:Fe-Li-O, expected Li4(FeO)5 to be Li8(FeO2)5" +mp-1643829,Li8(FeO2)5,-6.4603512322,-1.8043348802,0.0988051788,0.0988051788,GGA+U,P-1,A5B8C10_aP46_2_bd4i_8i_10i:Fe-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_bd7i_15i_19i:Fe-Li-O, expected Li15Fe8O19 to be Li8(FeO2)5" +mp-1643420,Li8(FeO2)5,-6.4622977387,-1.8062813867,0.0968586723,0.0968586723,GGA+U,P-1,A5B8C10_aP46_2_be4i_8i_10i:Fe-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_be6i_15i_17i:Fe-Li-O, expected Li15Fe7O17 to be Li8(FeO2)5" +mp-764936,Li8(FeO2)5,-6.4543545943,-1.7983382424,0.1048018166,0.1048018166,GGA+U,Cm,A5B8C10_mC46_8_5a_8a_10a:Fe-Li-O,23.0,A5B8C10_mC46_8_5a_8a_10a:Fe-Li-O +mp-1182621,BaOsO9,-5.9168067643,-0.6743939669,0.6165776853,0.6165776853,GGA,Pnma,AB9C_oP44_62_c_3c3d_c:Ba-O-Os,44.0,AB9C_oP44_62_c_3c3d_c:Ba-O-Os +mp-1203815,BaOsO9,-5.9973124748,-0.7548996774000001,0.5360719749,0.5360719749,GGA,Pnma,AB9C_oP44_62_c_3c3d_c:Ba-O-Os,44.0,AB9C_oP44_62_c_3c3d_c:Ba-O-Os +mp-555639,Sm3OsO7,-8.5902930377,-3.1348433274,0.0007455432,-0.0524920312,GGA,Pna2_1,A7BC3_oP88_33_14a_2a_6a:O-Os-Sm,88.0,"Invalid WP multiplicities - A7BC3_oP88_33_55a_6a_20a:O-Os-Sm, expected Sm20Os6O55 to be Sm3OsO7" +mp-5447,Sm3OsO7,-8.5910385809,-3.1355888706,0.0,-0.0532375744,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Os-Sm,22.0,A7BC3_oC44_63_cgh_a_bg:O-Os-Sm +mp-1147775,Ba2OsO4,-7.3244740629,-2.3456066121,0.0667726185,0.0667726185,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-O-Os,7.0,A2B4C_tI14_139_e_ce_a:Ba-O-Os +mp-781625,BaOsO3,-7.637092358,-2.0398106572,0.080434833,0.080434833,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Os,5.0,AB3C_cP5_221_a_c_b:Ba-O-Os +mp-1080470,Ba2SmOsO6,-7.771486339,-2.8250827678,0.0,-0.0389952214,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Sm +mp-559484,Ba11(OsO6)4,-7.2616631463,-2.5247728096,0.0,-0.2446014908,GGA,I4_1/a,A11B24C4_tI156_88_ae2f_6f_cd:Ba-O-Os,78.0,"Invalid WP multiplicities - A11B24C4_tI156_88_2a2e14f_42f_2c2d:Ba-O-Os, expected Ba31(OsO21)4 to be Ba11(OsO6)4" +mp-17960,BaSm2O4,-8.0247844954,-3.5757984875,0.0,-0.0097789266,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Sm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-O-Sm +mp-1214372,BaOsO2,-7.0926497606,-1.3327198125,0.7781120143,0.7781120143,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ba-O-Os,16.0,AB2C_tI32_141_c_h_d:Ba-O-Os +mp-1111000,Na3TlF6,-4.310223616,-2.5303143328,0.0728902052,0.0728902052,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Tl,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Tl +mp-998607,RbTlF3,-4.24420102,-2.4286781957,0.052865604,0.0483579974,GGA,Cm,A3BC_mC10_8_ab_a_a:F-Rb-Tl,5.0,A3BC_aP5_1_3a_a_a:F-Rb-Tl +mp-1410049,RbTlF3,-4.244449408,-2.4289265837,0.052617216,0.0481096094,GGA,Amm2,A3BC_oC10_38_ae_a_b:F-Rb-Tl,5.0,"Invalid WP multiplicities - A3BC_mC10_8_a2b_a_a:F-Rb-Tl, expected RbTlF5 to be RbTlF3" +mp-998434,RbTlF3,-4.2553120555,-2.4397892312,0.0417545685,0.0372469619,GGA,Pbam,A3BC_oP40_55_efghi_gh_i:F-Rb-Tl,40.0,A3BC_oP40_55_efghi_gh_i:F-Rb-Tl +mp-1113914,RbTlF3,-4.297066624,-2.4815437997,0.0,-0.0045076066,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:F-Rb-Tl,10.0,A3BC_cF40_225_e_c_ab:F-Rb-Tl +mp-7615,Rb3TlF6,-4.307761029,-2.6304491121,0.036801991,0.0194641942,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-Tl,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-Tl +mp-1113916,Rb3TlF6,-4.34456302,-2.6672511031,0.0,-0.0173377968,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Tl,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Tl +mp-1206562,NaTl3F6,-4.28705036,-2.2991175062,0.0,-0.0845950232,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Na-Tl,10.0,A6BC3_cF40_225_e_a_bc:F-Na-Tl +mp-989548,Rb2NaTlF6,-4.430150258,-2.718639219,0.0,-0.0472619984,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Tl +mp-1191979,RbTlF4,-4.3300809921,-2.4985654772,0.0015977167,-0.0833188585,GGA,Pca2_1,A4BC_oP24_29_4a_a_a:F-Rb-Tl,24.0,A4BC_oP24_29_4a_a_a:F-Rb-Tl +mp-27210,RbTlF4,-4.3316787088,-2.5001631939,0.0,-0.0849165751,GGA,Pbcm,A4BC_oP24_57_cde_d_a:F-Rb-Tl,24.0,A4BC_oP24_57_cde_d_a:F-Rb-Tl +mp-1206154,Rb3FeF6,-5.139483098,-2.8514333748,0.052805978,0.0430883643,GGA+U,I4/mmm,A6BC3_tI20_139_ei_a_bd:F-Fe-Rb,10.0,A6BC3_tI20_139_ei_a_bd:F-Fe-Rb +mp-1113833,Rb3FeF6,-5.192289076,-2.9042393528,0.0,-0.0097176137,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Fe-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Fe-Rb +mp-1195892,RbFe2F6,-6.0259245147,-2.7604300372,0.0,-0.0173207003,GGA+U,Pnma,A6B2C_oP36_62_2c2d_ac_c:F-Fe-Rb,36.0,A6B2C_oP36_62_2c2d_ac_c:F-Fe-Rb +mp-554465,RbFeF3,-5.528833986,-2.491835549,0.2661429585,0.2661429585,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Fe-Rb,5.0,A3BC_cP5_221_c_b_a:F-Fe-Rb +mp-619475,RbFeF4,-5.6679973892,-2.8185855304,0.0,-0.0060245499,GGA+U,P2_12_12,A4BC_oP24_18_4c_c_ab:F-Fe-Rb,24.0,"Invalid WP multiplicities - A4BC_oP24_18_16c_c_2ab:F-Fe-Rb, expected Rb3Fe2F32 to be RbFeF4" +mp-556646,RbFeF4,-5.6597144933,-2.8103026346,0.0082828958,0.0022583459,GGA+U,P4/mmm,A4BC_tP6_123_eg_b_c:F-Fe-Rb,6.0,A4BC_tP6_123_eg_b_c:F-Fe-Rb +mp-556927,RbFeF4,-5.6671058983,-2.8176940396,0.0008914908,-0.0051330591,GGA+U,P4/mbm,A4BC_tP12_127_eg_a_c:F-Fe-Rb,12.0,A4BC_tP12_127_eg_a_c:F-Fe-Rb +mp-28600,Rb2FeF5,-5.3980780791,-2.899517555,0.0,-0.0273983856,GGA+U,Pnma,A5BC2_oP32_62_a2cd_c_2c:F-Fe-Rb,32.0,A5BC2_oP32_62_a2cd_c_2c:F-Fe-Rb +mp-998159,TlFeF3,-5.38409529,-2.0706750382,0.2713424985,0.2713424985,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Fe-Tl,5.0,A3BC_cP5_221_c_b_a:F-Fe-Tl +mp-1113644,Rb2TlFeF6,-5.107882128,-2.6816214973,0.03135423,0.03135423,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-Rb-Tl +mp-698616,Rb3FeF3,-4.3817382371,-1.9323010471,0.5315890743,0.5315890743,GGA+U,P1,A3BC3_aP14_1_6a_2a_6a:F-Fe-Rb,14.0,A3BC3_aP14_1_6a_2a_6a:F-Fe-Rb +mp-1206640,Rb2FeF4,-5.4114742071,-2.8290448893,0.0,-0.0631026486,GGA+U,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Fe-Rb,7.0,A4BC2_tI14_139_ce_a_e:F-Fe-Rb +mp-1205667,Tl3FeF6,-4.984851634,-2.2821691885,0.0,-0.0466250059,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Fe-Tl,10.0,A6BC3_cF40_225_e_a_bc:F-Fe-Tl +mp-1223313,KNaCl2,-3.69785699,-2.1653575999,0.01856781,0.01856781,GGA,R-3m,A2BC_hR12_166_c_a_b:Cl-K-Na,4.0,A2BC_hR12_166_c_a_b:Cl-K-Na +mp-1111182,K3AsCl6,-3.672402941,-1.7642494204,0.0617071832,0.0617071832,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Cl-K,10.0,AB6C3_cF40_225_a_e_bc:As-Cl-K +mp-34127,K2NaAs,-2.4183414675,-0.3677310694,0.0,-0.0151616169,GGA,P6_3/mmc,AB2C_hP8_194_c_f_b:As-K-Na,8.0,AB2C_hP8_194_c_f_b:As-K-Na +mp-1111651,K2NaAsCl6,-3.692238418,-1.7628722628,0.0333608083,0.0333608083,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Na +mp-1223810,K2NaCl3,-3.6931963283,-2.1783741338,0.0303208867,0.0303208867,GGA,I4/mmm,A3B2C_tI12_139_ae_e_b:Cl-K-Na,6.0,A3B2C_tI12_139_ae_e_b:Cl-K-Na +mp-1223818,K2NaCl3,-3.7069265517,-2.1921043571,0.0165906633,0.0165906633,GGA,P-3m1,A3B2C_hP6_164_ad_d_b:Cl-K-Na,6.0,A3B2C_hP6_164_ad_d_b:Cl-K-Na +mp-1223378,KNa4Cl5,-3.686735809,-2.1224174669,0.016922644,0.016922644,GGA,C2/m,A5BC4_mC20_12_a2i_c_2i:Cl-K-Na,10.0,"Invalid WP multiplicities - A5BC4_mC20_12_a3i_c_3i:Cl-K-Na, expected KNa6Cl7 to be KNa4Cl5" +mp-1223382,KNa4Cl5,-3.683779834,-2.1194614919,0.019878619,0.019878619,GGA,Immm,A5BC4_oI20_71_a2e_c_2f:Cl-K-Na,10.0,"Invalid WP multiplicities - A5BC4_oI20_71_a3e_c_3f:Cl-K-Na, expected KNa6Cl7 to be KNa4Cl5" +mp-1223376,KNa4Cl5,-3.676107222,-2.1117888799,0.027551231,0.027551231,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:Cl-K-Na,10.0,"Invalid WP multiplicities - A5BC4_tI20_139_a3e_b_3e:Cl-K-Na, expected KNa6Cl7 to be KNa4Cl5" +mp-1223387,KNa4Cl5,-3.691268069,-2.1269497269,0.012390384,0.012390384,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:Cl-K-Na,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a4c_b_3c:Cl-K-Na, expected KNa6Cl9 to be KNa4Cl5" +mp-1223869,K4NaCl5,-3.714311489,-2.2136310509,0.014879658,0.014879658,GGA,C2/m,A5B4C_mC20_12_a2i_2i_c:Cl-K-Na,10.0,"Invalid WP multiplicities - A5B4C_mC20_12_a3i_3i_c:Cl-K-Na, expected K6NaCl7 to be K4NaCl5" +mp-1223924,K4NaCl5,-3.713173748,-2.2124933099,0.016017399,0.016017399,GGA,Immm,A5B4C_oI20_71_a2e_2f_c:Cl-K-Na,10.0,"Invalid WP multiplicities - A5B4C_oI20_71_a4e_3f_c:Cl-K-Na, expected K6NaCl9 to be K4NaCl5" +mp-1223871,K4NaCl5,-3.713254781,-2.2125743429,0.015936366,0.015936366,GGA,I4/m,A5B4C_tI20_87_ah_h_b:Cl-K-Na,10.0,"Invalid WP multiplicities - A5B4C_tI20_87_a2h_h_b:Cl-K-Na, expected K4NaCl9 to be K4NaCl5" +mp-1223813,K4NaCl5,-3.709172992,-2.2084925539,0.020018155,0.020018155,GGA,I4/mmm,A5B4C_tI20_139_a2e_2e_b:Cl-K-Na,10.0,"Invalid WP multiplicities - A5B4C_tI20_139_a3e_3e_b:Cl-K-Na, expected K6NaCl7 to be K4NaCl5" +mp-1223916,K4NaCl5,-3.717153151,-2.2164727129,0.012037996,0.012037996,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:Cl-K-Na,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a4c_3c_b:Cl-K-Na, expected K6NaCl9 to be K4NaCl5" +mp-1093633,KNa2As,-1.3460184425,0.7576235422,1.1485408646,1.1485408646,GGA,Immm,ABC2_oI8_71_a_b_e:As-K-Na,4.0,ABC2_oI8_71_a_b_e:As-K-Na +mp-1212983,Er4MgGe4,-5.0566046911,-0.7940195011000001,0.0067837678,0.0067837678,GGA,Pnma,A4B4C_oP36_62_2d_2cd_c:Er-Ge-Mg,36.0,A4B4C_oP36_62_2d_2cd_c:Er-Ge-Mg +mp-1232164,ErMgS3,-5.23265149,-1.5171817979000002,0.371650319,0.371650319,GGA,C2/m,ABC3_mC20_12_i_g_ij:Er-Mg-S,10.0,ABC3_mC20_12_i_g_ij:Er-Mg-S +mp-1225990,Er9Ge4S21,-6.0558933853,-1.7480396231,0.0378280837,0.0378280837,GGA,R3,A9B4C21_hR204_146_6b_2a2b_14b:Er-Ge-S,68.0,"Invalid WP multiplicities - A9B4C21_hR204_146_16b_2a2b_34b:Er-Ge-S, expected Er24Ge4S51 to be Er9Ge4S21" +mp-1225777,Er2Ge2S7,-5.6105990214,-1.3072678943,0.130585592,0.130585592,GGA,P2_1,A2B2C7_mP22_4_2a_2a_7a:Er-Ge-S,22.0,"Invalid WP multiplicities - A2B2C7_mP22_4_4a_2a_13a:Er-Ge-S, expected Er4Ge2S13 to be Er2Ge2S7" +mp-862697,Er2MgGe2,-4.755642366,-0.7592876900000001,0.0,-0.0427567607,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Er-Ge-Mg,10.0,A2B2C_tP10_127_h_g_a:Er-Ge-Mg +mp-1225593,Er4MgS7,-6.3010919575,-2.232233261,0.024752319,0.024752319,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Er-Mg-S,12.0,A4BC7_mC24_8_4a_a_7a:Er-Mg-S +mp-17441,Mg2GeS4,-4.7514326211,-1.2700915607,0.0,-0.0269206876,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mg-S,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_ac_4c2d:Ge-Mg-S, expected Mg2GeS8 to be Mg2GeS4" +mp-1232113,Er2MgS4,-5.8789877189,-1.9816281279,0.1971439554,0.1880188637,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Er-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:Er-Mg-S +mp-1232109,Er2MgS4,-6.0524793025,-2.1551197114,0.0236523718,0.0145272801,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Er-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Er-Mg-S +mp-1225591,Er2MgS4,-6.0518227807,-2.1544631896,0.0243088936,0.0151838019,GGA,Cmc2_1,A2BC4_oC28_36_2a_a_4a:Er-Mg-S,14.0,A2BC4_oC28_36_2a_a_4a:Er-Mg-S +mp-1232105,Er2MgS4,-6.0532725379,-2.1559129468,0.0228591364,0.0137340448,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Er-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Er-Mg-S +mp-1232107,Er2MgS4,-6.0093948039,-2.1120352129,0.0667368704,0.0576117787,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Er-Mg-S +mp-1232158,Er2MgS4,-5.8245922625,-1.9272326714,0.2515394118,0.2424143201,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Er-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:Er-Mg-S +mp-1232106,Er2MgS4,-5.9854421807,-2.0880825896,0.0906894936,0.0815644019,GGA,I-42d,A2BC4_tI28_122_d_a_e:Er-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Er-Mg-S +mp-1232129,Er2MgS4,-6.0761316743,-2.1787720832,0.0,-0.0091250917,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Er-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Er-Mg-S +mp-1225748,Er6Mg(GeS7)2,-6.03294265,-1.8519449649,0.0146012122,0.0146012122,GGA,P3,A6B2CD14_hP23_143_2d_ab_c_ab4d:Er-Ge-Mg-S,23.0,A6B2CD14_hP23_143_2d_ab_c_ab4d:Er-Ge-Mg-S +mp-21587,Mg6Ni16As7,-5.0017795803,-0.3570314419,0.0,-0.0397610538,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:As-Mg-Ni,29.0,A7B6C16_cF116_225_ad_e_2f:As-Mg-Ni +mp-3830,NiAsS,-5.3532966525,-0.4947283352,0.0,-0.0326088893,GGA,P2_13,ABC_cP12_198_a_a_a:As-Ni-S,12.0,ABC_cP12_198_a_a_a:As-Ni-S +mp-2210698,MgNiS2,-4.74762951,-0.8343003941,0.3171364854,0.3171364854,GGA,R3m,ABC2_hR12_160_a_a_2a:Mg-Ni-S,4.0,ABC2_hR12_160_a_a_2a:Mg-Ni-S +mp-1394733,Mg(NiS2)4,-5.1101133254,-0.6630036558,0.1141513708,0.1141513708,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Mg-Ni-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Mg-Ni-S, expected Mg(Ni2S7)2 to be Mg(NiS2)4" +mp-1398414,Mg(NiS2)4,-5.1230077346,-0.675898065,0.1012569615,0.1012569615,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Mg-Ni-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Mg-Ni-S, expected Mg(Ni2S7)2 to be Mg(NiS2)4" +mp-2218829,Mg(NiS2)4,-5.1072330131,-0.6601233435,0.1170316831,0.1170316831,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Mg-Ni-S,13.0,AB4C8_cF52_216_a_e_2e:Mg-Ni-S +mp-2219230,Mg(NiS2)4,-4.7256909869,-0.2785813173,0.4985737092,0.4985737092,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Mg-Ni-S,13.0,AB4C8_cF52_216_a_e_2e:Mg-Ni-S +mp-1383115,Mg(NiS2)2,-4.9993497564,-0.7555850596,0.1801384736,0.1801384736,GGA,I4_1md,AB2C4_tI28_109_a_b_2b:Mg-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_tI28_109_a_b_4b:Mg-Ni-S, expected Mg(NiS4)2 to be Mg(NiS2)2" +mp-2225359,Mg(NiS2)2,-4.7747638257,-0.5309991289,0.4047244043,0.4047244043,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Mg-Ni-S,7.0,"Invalid WP multiplicities - AB2C4_hP7_164_a_d_3d:Mg-Ni-S, expected Mg(NiS3)2 to be Mg(NiS2)2" +mp-2224440,Mg(NiS2)2,-4.4191345671,-0.1753698704,0.7603536629000001,0.7603536629000001,GGA,P-6m2,AB2C4_hP7_187_e_ad_gh:Mg-Ni-S,7.0,AB2C4_hP7_187_e_ad_gh:Mg-Ni-S +mp-1775070,Mg(NiS2)2,-5.0107509764,-0.7669862796,0.1687372536,0.1687372536,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Ni-S,14.0,AB2C4_cF56_227_a_d_e:Mg-Ni-S +mp-2218730,MgNi4(AsS)4,-4.9295564546,-0.3216256963,0.3238423048,0.3238423048,GGA,R3,A4BC4D4_hR39_146_ab_a_ab_ab:As-Mg-Ni-S,13.0,"Invalid WP multiplicities - A4BC4D4_hR39_146_a2b_a_a2b_ab:As-Mg-Ni-S, expected MgNi7As7S4 to be MgNi4(AsS)4" +mp-1220013,Ni4As3S5,-5.3164535375,-0.5014409317,0.0320918854,0.0320918854,GGA,R3,A3B4C5_hR36_146_b_ab_2ab:As-Ni-S,12.0,A3B4C5_hR36_146_b_ab_2ab:As-Ni-S +mp-1407285,ZnCuO2,-4.9853955925,-1.1723136669,0.1951695075,0.1951695075,GGA,P1,AB2C_aP16_1_4a_8a_4a:Cu-O-Zn,16.0,AB2C_aP16_1_4a_8a_4a:Cu-O-Zn +mp-1048350,ZnCuO2,-4.9942478050000005,-1.1811658794,0.186317295,0.186317295,GGA,P1,AB2C_aP16_1_4a_8a_4a:Cu-O-Zn,16.0,AB2C_aP16_1_4a_8a_4a:Cu-O-Zn +mp-1383106,ZnCuO2,-4.9579742962,-1.1448923706,0.2225908037,0.2225908037,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Cu-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Cu-O-Zn, expected Zn2Cu3O7 to be ZnCuO2" +mp-1045916,ZnCuO2,-4.9722608631,-1.1591789375,0.2083042369,0.2083042369,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Cu-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Cu-O-Zn, expected Zn2Cu3O7 to be ZnCuO2" +mp-1045310,Mn9Zn2O13,-8.1530181825,-1.9328274285,0.0572217221,0.0572217221,GGA+U,P-1,A9B13C2_aP24_2_b4i_d6i_i:Mn-O-Zn,24.0,A9B13C2_aP24_2_b4i_d6i_i:Mn-O-Zn +mp-1045871,Mn9Zn2O13,-8.1034520637,-1.8832613098,0.1067878408,0.1067878408,GGA+U,P-1,A9B13C2_aP24_2_b4i_d6i_i:Mn-O-Zn,24.0,A9B13C2_aP24_2_b4i_d6i_i:Mn-O-Zn +mp-754010,ZnCu2O3,-5.1790996083,-1.129395761,0.0967367183,0.0967367183,GGA,Pmmn,A2B3C_oP12_59_e_ae_b:Cu-O-Zn,12.0,"Invalid WP multiplicities - A2B3C_oP12_59_e_2a2e_b:Cu-O-Zn, expected Zn(CuO3)2 to be ZnCu2O3" +mp-772816,Mn6Zn3O16,-7.1997556924,-1.6838220139,0.064582509,0.064582509,GGA+U,P2_1,A6B16C3_mP50_4_6a_16a_3a:Mn-O-Zn,50.0,"Invalid WP multiplicities - A6B16C3_mP50_4_11a_30a_5a:Mn-O-Zn, expected Mn11Zn5O30 to be Mn6Zn3O16" +mp-1377379,MnZnO2,-6.7367002456,-1.6579161645,0.2277790369,0.2277790369,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Mn-O-Zn,16.0,AB2C_aP16_1_4a_8a_4a:Mn-O-Zn +mp-1371409,MnZnO2,-6.8112770719,-1.7324929907,0.1532022106,0.1532022106,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Mn-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Mn-O-Zn, expected Mn3Zn2O7 to be MnZnO2" +mp-1046085,MnZnO2,-6.8254888288,-1.7467047476,0.1389904537,0.1389904537,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Mn-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Mn-O-Zn, expected Mn3Zn2O7 to be MnZnO2" +mp-1442837,MnZnO2,-6.7186267881,-1.639842707,0.2458524944,0.2458524944,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mn-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Mn-O-Zn, expected Mn3Zn2O7 to be MnZnO2" +mp-1412672,MnZnO2,-6.8144670631,-1.7356829820000002,0.1500122194,0.1500122194,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mn-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Mn-O-Zn, expected Mn3Zn2O7 to be MnZnO2" +mp-1041340,Mn2ZnO4,-7.5592581374,-1.9348968461,0.048155379,0.0196239426,GGA+U,P1,A2B4C_aP42_1_12a_24a_6a:Mn-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Mn-O-Zn +mp-2236380,Mn2ZnO4,-7.4305912564,-1.8062299651,0.17682226,0.1482908236,GGA+U,P-1,A2B4C_aP14_2_2i_4i_i:Mn-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Mn-O-Zn, expected Mn3ZnO7 to be Mn2ZnO4" +mp-1378586,Mn2ZnO4,-7.4372714482,-1.8129101569,0.1701420682,0.1416106318,GGA+U,P2_1,A2B4C_mP28_4_4a_8a_2a:Mn-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_mP28_4_8a_16a_2a:Mn-O-Zn, expected Mn4ZnO8 to be Mn2ZnO4" +mp-1332857,Mn2ZnO4,-7.522374922,-1.8980136307,0.0850385945,0.056507158,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Mn-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Mn-O-Zn, expected Mn11Zn4O24 to be Mn2ZnO4" +mp-1331108,Mn2ZnO4,-7.5173419419,-1.8929806506,0.0900715745,0.0615401381,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Mn-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Mn-O-Zn, expected Mn3ZnO6 to be Mn2ZnO4" +mp-1041069,Mn2ZnO4,-7.5763546774,-1.9519933861,0.031058839,0.0025274026,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Mn-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a11b_6a:Mn-O-Zn, expected Mn9Zn3O17 to be Mn2ZnO4" +mp-1403324,Mn2ZnO4,-7.3952402457,-1.7708789544,0.2121732707,0.1836418343,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Mn-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Mn-O-Zn, expected Mn3ZnO7 to be Mn2ZnO4" +mp-2234965,Mn2ZnO4,-7.5705437957,-1.9461825044,0.0368697207,0.0083382843,GGA+U,C2/m,A2B4C_mC28_12_ace_2ij_i:Mn-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_ad2e_4i3j_i:Mn-O-Zn, expected Mn3ZnO10 to be Mn2ZnO4" +mp-1041477,Mn2ZnO4,-7.4807180514,-1.8563567601,0.126695465,0.0981640286,GGA+U,Pbcm,A2B4C_oP28_57_e_cde_d:Mn-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Mn-O-Zn, expected Mn2ZnO16 to be Mn2ZnO4" +mp-1367059,Mn2ZnO4,-7.4219336771,-1.7975723858,0.1854798393,0.1569484029,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Mn-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Mn-O-Zn +mp-1341462,Mn2ZnO4,-7.4197589479,-1.7953976566,0.1876545686,0.1591231321,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Mn-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Mn-O-Zn +mp-1047660,Mn2ZnO4,-7.45355086,-1.8291895687,0.1538626564,0.12533122,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Mn-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Mn-O-Zn +mp-1041901,Mn2ZnO4,-7.5045033007,-1.8801420094,0.1029102157,0.0743787793,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Mn-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Mn-O-Zn, expected Mn2ZnO10 to be Mn2ZnO4" +mp-1047343,Mn2ZnO4,-7.5873152207,-1.9629539294,0.0200982957,-0.0084331407,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Mn-O-Zn,14.0,A2B4C_tI28_88_c_f_b:Mn-O-Zn +mp-18751,Mn2ZnO4,-7.6074135164,-1.9830522251,0.0,-0.0285314364,GGA+U,I4_1/amd,A2B4C_tI28_141_c_h_b:Mn-O-Zn,14.0,A2B4C_tI28_141_c_h_b:Mn-O-Zn +mp-1048875,Mn2ZnO4,-7.5412304929,-1.9168692016,0.0661830236,0.0376515871,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Mn-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Mn-O-Zn +mp-1388705,Mn2ZnO4,-7.529446565,-1.9050852737,0.0779669514,0.049435515,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Mn-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Mn-O-Zn +mp-1100778,ZnCuO3,-4.581666934,-0.5418636512,0.6077152121,0.6077152121,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Zn,5.0,AB3C_cP5_221_b_c_a:Cu-O-Zn +mp-1397062,Mn2ZnO5,-7.0426737069,-1.5030214881,0.3182332233,0.3182332233,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Mn-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Mn-O-Zn +mp-1043246,Mn2ZnO5,-7.0752184156,-1.5355661968,0.2856885145,0.2856885145,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Mn-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Mn-O-Zn +mp-1042996,Mn4ZnO6,-8.0257843927,-1.8814264795,0.1095493991,0.1095493991,GGA+U,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Mn-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Mn-O-Zn, expected Mn12ZnO6 to be Mn4ZnO6" +mp-1979856,Mn4Zn(CuO4)3,-6.926469546,-1.4481850798,0.1066576578,0.1066576578,GGA+U,C2/m,A3B4C12D_mC40_12_abc_ef_2i2j_d:Cu-Mn-O-Zn,20.0,"Invalid WP multiplicities - A3B4C12D_mC40_12_abc_e2f_4i5j_d:Cu-Mn-O-Zn, expected Mn6ZnCu3O28 to be Mn4Zn(CuO4)3" +mp-1043063,Mn4Zn(CuO4)3,-6.9381033895,-1.4598189233,0.0950238143,0.0950238143,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Zn,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Zn +mp-861549,Mn11ZnO16,-8.4967417854,-2.0257085281,0.0084067273,0.0084067273,GGA+U,C222,A11B16C_oC56_21_ak2l_4l_c:Mn-O-Zn,28.0,"Invalid WP multiplicities - A11B16C_oC56_21_ak4l_12l_c:Mn-O-Zn, expected Mn19ZnO48 to be Mn11ZnO16" +mp-1376631,Zn(CuO2)2,-5.1476844054,-0.9698398632,0.1605484389,0.1376647712,GGA,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Cu-O-Zn +mp-1042292,Zn(CuO2)2,-5.1802319236,-1.0023873814,0.1280009207,0.105117253,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Cu-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_3i_7i_i:Cu-O-Zn, expected ZnCu3O7 to be Zn(CuO2)2" +mp-1351757,Zn(CuO2)2,-5.289342623,-1.1114980809,0.0188902212,-0.0039934464,GGA,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Cu-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Cu-O-Zn, expected Zn4Cu11O24 to be Zn(CuO2)2" +mp-1355803,Zn(CuO2)2,-5.2101467852,-1.0323022431,0.098086059,0.0752023914,GGA,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Cu-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Cu-O-Zn, expected Zn(CuO2)3 to be Zn(CuO2)2" +mp-1407035,Zn(CuO2)2,-5.2599006457,-1.0820561036,0.0483321986,0.0254485309,GGA,C2/m,A2B4C_mC28_12_ace_2ij_i:Cu-O-Zn,14.0,A2B4C_tI28_141_c_h_b:Cu-O-Zn +mp-1047601,Zn(CuO2)2,-5.2645456675,-1.0867011254,0.0436871768,0.0208035091,GGA,Pbcm,A2B4C_oP28_57_e_cde_d:Cu-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Cu-O-Zn, expected Zn(CuO8)2 to be Zn(CuO2)2" +mp-1041779,Zn(CuO2)2,-5.1400571029,-0.9622125607,0.1681757414,0.1452920737,GGA,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Cu-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Cu-O-Zn +mp-1047362,Zn(CuO2)2,-5.1891284007,-1.0112838586,0.1191044436,0.0962207759,GGA,Cmcm,A2B4C_oC28_63_f_acf_c:Cu-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Cu-O-Zn +mp-1041554,Zn(CuO2)2,-5.1949236557,-1.0170791136,0.1133091886,0.0904255209,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Cu-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Cu-O-Zn, expected Zn(CuO5)2 to be Zn(CuO2)2" +mp-752451,Zn(CuO2)2,-5.257769505,-1.0799249629,0.0504633393,0.0275796716,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Zn,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Zn +mp-1047251,Zn(CuO2)2,-5.25820448,-1.0803599379,0.0500283643,0.0271446966,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Zn,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Zn +mp-1047156,Zn(CuO2)2,-5.3082328443,-1.1303883021,0.0,-0.0228836677,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Cu-O-Zn,14.0,A2B4C_tI28_141_c_h_b:Cu-O-Zn +mp-1044668,Zn(CuO2)2,-5.2517369979,-1.0738924557,0.0564958464,0.0336121787,GGA,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Cu-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab8d_2a2b2c16d_a2b3c:Cu-O-Zn, expected Zn2(CuO2)9 to be Zn(CuO2)2" +mp-1044926,Zn(CuO2)2,-5.2474814921,-1.06963695,0.0607513521,0.0378676845,GGA,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Cu-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Cu-O-Zn, expected Zn2Cu8O15 to be Zn(CuO2)2" +mp-1044715,Zn(CuO2)2,-5.2386888671,-1.060844325,0.0695439771,0.0466603095,GGA,R3m,A2B4C_hR42_160_ab_2a2b_2a:Cu-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Cu-O-Zn +mp-1392444,Zn(CuO2)2,-5.2626662657,-1.0848217236,0.0455665786,0.0226829109,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cu-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Cu-O-Zn +mp-1378139,Mn2Zn3O7,-6.4650194125,-1.7375125464,0.0779161908,0.0779161908,GGA+U,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Mn-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Mn-O-Zn, expected Mn2Zn3O9 to be Mn2Zn3O7" +mp-773099,MnZn4O5,-5.7145167355,-1.8210734067,0.0081258295,0.0081258295,GGA+U,P1,AB5C4_aP20_1_2a_10a_8a:Mn-O-Zn,40.0,"Invalid WP multiplicities - AB5C4_aP20_1_4a_10a_8a:Mn-O-Zn, expected Mn2Zn4O5 to be MnZn4O5" +mp-1176421,MnZn4O5,-5.715077216,-1.8216338872,0.007565349,0.007565349,GGA+U,Cm,AB5C4_mC40_8_2a_10a_8a:Mn-O-Zn,40.0,"Invalid WP multiplicities - AB5C4_mC40_8_4a_10a_8a:Mn-O-Zn, expected Mn2Zn4O5 to be MnZn4O5" +mp-1221575,MnZn4O5,-5.7148681362,-1.8214248074,0.0077744287,0.0077744287,GGA+U,P3m1,AB5C4_hP20_156_2a_5a5b_3a5b:Mn-O-Zn,40.0,"Invalid WP multiplicities - AB5C4_hP20_156_4a_5a5b_3a5b:Mn-O-Zn, expected Mn2Zn4O5 to be MnZn4O5" +mp-1245015,ZnO,-4.6458016741,-1.5425855135000002,0.2489497459,-0.7481162098,GGA,P1,AB_aP80_1_40a_40a:O-Zn,80.0,AB_aP80_1_40a_40a:O-Zn +mp-1245109,ZnO,-4.6477052826000005,-1.544489122,0.2470461374,-0.7500198183,GGA,P1,AB_aP80_1_40a_40a:O-Zn,80.0,AB_aP80_1_40a_40a:O-Zn +mp-1245209,ZnO,-4.6499055061,-1.5466893455,0.2448459139,-0.7522200418,GGA,P1,AB_aP80_1_40a_40a:O-Zn,80.0,AB_aP80_1_40a_40a:O-Zn +mp-1245255,ZnO,-4.5063957531,-1.4031795925,0.3883556669,-0.6087102888,GGA,P1,AB_aP80_1_40a_40a:O-Zn,80.0,AB_aP80_1_40a_40a:O-Zn +mp-1093993,ZnO,-4.8716235812,-1.7684074206,0.0231278387,-0.9739381169,GGA,P4_2/mnm,AB_tP8_136_f_g:O-Zn,8.0,AB_tP8_136_f_g:O-Zn +mp-2133,ZnO,-4.89475142,-1.7915352594,0.0,-0.9970659556,GGA,P6_3mc,AB_hP4_186_b_b:O-Zn,4.0,AB_hP4_186_b_b:O-Zn +mp-1017539,ZnO,-4.5945288275,-1.4913126669,0.3002225925,-0.6968433631000001,GGA,P6_3mc,AB_hP4_186_b_a:O-Zn,4.0,AB_hP4_186_b_a:O-Zn +mp-997630,ZnO,-4.7215077667,-1.618291606,0.1732436533,-0.8238223023,GGA,P6_3/mmc,AB_hP24_194_e2f_ab2f:O-Zn,24.0,AB_hP24_194_e2f_ab2f:O-Zn +mp-1986,ZnO,-4.88762986,-1.7844136994,0.00712156,-0.9899443956,GGA,F-43m,AB_cF8_216_a_c:O-Zn,2.0,AB_cF8_216_a_c:O-Zn +mp-2346983,ZnO,-4.6707245225000005,-1.5675083619,0.2240268975,-0.7730390581000001,GGA,P6_3/mmc,AB_hP4_194_c_b:O-Zn,4.0,AB_hP4_194_c_b:O-Zn +mp-13161,ZnO,-4.17754243,-1.0743262694,0.71720899,-0.2798569656,GGA,Pm-3m,AB_cP2_221_a_b:O-Zn,2.0,AB_cP2_221_a_b:O-Zn +mp-2229,ZnO,-4.74748408,-1.6442679194,0.14726734,-0.8497986156,GGA,Fm-3m,AB_cF8_225_a_b:O-Zn,2.0,AB_cF8_225_a_b:O-Zn +mp-1041405,Mn2Zn(CuO4)2,-6.4059687294,-1.2247612506,0.217760821,0.217760821,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cu-Mn-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_6e_5e_26e_e:Cu-Mn-O-Zn, expected Mn5Zn(Cu3O13)2 to be Mn2Zn(CuO4)2" +mp-1045659,Zn2Cu9O13,-5.2557149371,-0.9340774164,0.1184120471,0.1184120471,GGA,C2/m,A9B13C2_mC48_12_a4i_d6i_i:Cu-O-Zn,24.0,A9B13C2_mC48_12_a4i_c6i_i:Cu-O-Zn +mp-1373342,Mn2Zn2O5,-6.7238455828,-1.6597387650000002,0.2807541344,0.2807541344,GGA+U,Pbam,A2B5C2_oP18_55_g_agh_h:Mn-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a2g3h_h:Mn-O-Zn, expected MnZnO6 to be Mn2Zn2O5" +mp-1047863,Mn4ZnO9,-7.3330609182,-1.4453464054,0.3696612022,0.3696612022,GGA+U,P4/n,A4B9C_tP28_85_g_a2g_c:Mn-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Mn-O-Zn +mp-772528,MnZnO3,-6.774189988,-1.7218249808,0.098382452,0.098382452,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Zn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Mn-O-Zn, expected MnZnO7 to be MnZnO3" +mp-754318,MnZnO3,-6.866778206,-1.8144131988,0.005794234,0.005794234,GGA+U,R-3,AB3C_hR30_148_c_f_c:Mn-O-Zn,10.0,AB3C_hR30_148_c_f_c:Mn-O-Zn +mp-1016932,MnZnO3,-6.31139953,-1.2590345228,0.56117291,0.56117291,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Zn,5.0,AB3C_cP5_221_b_c_a:Mn-O-Zn +mp-1403705,Mn3Zn2O8,-7.1768525969,-1.8246185364,0.0,-0.0090669383,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Mn-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Mn-O-Zn +mp-1042798,Mn3Zn2O8,-7.1743920342,-1.8221579738,0.0024605627,-0.0066063756,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Mn-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Mn-O-Zn, expected Mn3Zn2O12 to be Mn3Zn2O8" +mp-1180467,Mn3ZnO10,-6.7148278404,-1.1282080833,0.2996542095,0.2996542095,GGA+U,P-1,A3B10C_aP28_2_3i_10i_i:Mn-O-Zn,28.0,A3B10C_aP28_2_3i_10i_i:Mn-O-Zn +mp-1193234,Mn3ZnO10,-6.709499075,-1.1228793179,0.3049829748,0.3049829748,GGA+U,R-3,A3B10C_hR84_148_f_c3f_c:Mn-O-Zn,28.0,"Invalid WP multiplicities - A3B10C_hR84_148_f_c5f_c:Mn-O-Zn, expected Mn3ZnO16 to be Mn3ZnO10" +mp-1193625,Mn3ZnO10,-6.5914482932,-1.0048285362,0.4230337566,0.4230337566,GGA+U,R-3,A3B10C_hR84_148_f_c3f_c:Mn-O-Zn,28.0,A3B10C_hR84_148_f_c3f_c:Mn-O-Zn +mp-1046785,Zn(Cu2O3)2,-5.2543211827,-0.9509845866,0.1114192745,0.1114192745,GGA,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Cu-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Cu-O-Zn, expected Zn(Cu2O)6 to be Zn(Cu2O3)2" +mp-1044337,Mn3ZnO7,-7.2648271914,-1.5036807855,0.3135984963,0.3135984963,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Mn-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Mn-O-Zn, expected Mn5ZnO7 to be Mn3ZnO7" +mp-1192094,Mn3ZnO7,-7.5782503668,-1.8171039609,0.0001753208,0.0001753208,GGA+U,R-3,A3B7C_hR66_148_f_c2f_c:Mn-O-Zn,22.0,A3B7C_hR66_148_f_c2f_c:Mn-O-Zn +mp-1210738,Mn3ZnO7,-7.5102153009,-1.7490688950000002,0.0682103867,0.0682103867,GGA+U,R-3,A3B7C_hR66_148_f_c2f_c:Mn-O-Zn,22.0,"Invalid WP multiplicities - A3B7C_hR66_148_f_c5f_c:Mn-O-Zn, expected Mn3ZnO16 to be Mn3ZnO7" +mp-2215114,Mn4ZnO8,-7.7395532377,-1.7794521247,0.1221966746,0.1221966746,GGA+U,P1,A4B8C_aP13_1_4a_8a_a:Mn-O-Zn,13.0,A4B8C_aP13_1_4a_8a_a:Mn-O-Zn +mp-1045565,Mn4ZnO8,-7.7395769331,-1.7794758201,0.1221729792,0.1221729792,GGA+U,Cm,A4B8C_mC26_8_4a_8a_a:Mn-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Mn-O-Zn +mp-1392820,Mn4ZnO8,-7.7804698531,-1.8203687401,0.0812800592,0.0812800592,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Mn-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Mn-O-Zn, expected Mn4ZnO14 to be Mn4ZnO8" +mp-1178720,ZnO2,-4.4519904075,-0.7342833967,0.4600734429,0.4600734429,GGA,P2_1,A2B_mP12_4_4a_2a:O-Zn,12.0,A2B_mP12_14_2e_e:O-Zn +mp-1102744,ZnO2,-4.7446531292,-1.0269461183,0.1674107212,0.1674107212,GGA,P2_12_12_1,A2B_oP12_19_2a_a:O-Zn,12.0,A2B_oP12_62_2c_c:O-Zn +mp-1237278,ZnO2,-4.4455976,-0.7278905892,0.4664662504,0.4664662504,GGA,Pnma,A2B_oP12_62_2c_c:O-Zn,12.0,A2B_oP12_62_2c_c:O-Zn +mp-1178680,ZnO2,-4.1012901028,-0.3835830919,0.8107737476,0.8107737476,GGA,Immm,A2B_oI36_71_ef2m_em:O-Zn,18.0,A2B_oI36_71_ef2m_em:O-Zn +mp-1094003,ZnO2,-4.4532988,-0.7355917892,0.4587650504,0.4587650504,GGA,P-3m1,A2B_hP3_164_d_a:O-Zn,3.0,A2B_hP3_164_d_a:O-Zn +mp-8484,ZnO2,-4.7769994158,-1.059292405,0.1350644346,0.1350644346,GGA,Pa-3,A2B_cP12_205_c_a:O-Zn,12.0,A2B_cP12_205_c_a:O-Zn +mp-1374069,Zn2Cu2O5,-4.9581898367,-1.0191516015,0.2581582467,0.2581582467,GGA,Pbam,A2B5C2_oP18_55_g_agh_h:Cu-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a2g3h_h:Cu-O-Zn, expected ZnCuO6 to be Zn2Cu2O5" +mp-1221877,Mn9Zn3O16,-7.89673242,-1.99014714,0.0099260952,0.0099260952,GGA+U,P-4m2,A9B16C3_tP28_115_ajk_2j2k_cg:Mn-O-Zn,28.0,"Invalid WP multiplicities - A9B16C3_tP28_115_a3j3k_8j8k_cg:Mn-O-Zn, expected Mn25Zn3O64 to be Mn9Zn3O16" +mp-1043961,ZnSb3O7,-6.001266612,-1.6127604022000002,0.2231691352,0.2231691352,GGA,Pnma,A7B3C_oP44_62_c3d_cd_c:O-Sb-Zn,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_c3d_c2d_c:O-Sb-Zn, expected ZnSb5O7 to be ZnSb3O7" +mp-1349923,Zn(SbO2)2,-5.83128823,-1.6449309536,0.118722605,0.118722605,GGA,P1,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn,42.0,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn +mp-1044866,Zn(SbO2)2,-5.8077692981,-1.6214120217,0.1422415369,0.1422415369,GGA,P1,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn,42.0,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn +mp-1044897,Zn(SbO2)2,-5.7621708243,-1.5758135479000002,0.1878400107,0.1878400107,GGA,P1,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn,42.0,A4B2C_aP42_1_24a_12a_6a:O-Sb-Zn +mp-1042240,Zn(SbO2)2,-5.82247801,-1.6361207336,0.127532825,0.127532825,GGA,C2,A4B2C_mC28_5_4c_2c_c:O-Sb-Zn,14.0,"Invalid WP multiplicities - A4B2C_mC28_5_7c_3c_c:O-Sb-Zn, expected ZnSb3O7 to be Zn(SbO2)2" +mp-1327310,Zn(SbO2)2,-5.7546417636000005,-1.5682844871,0.1953690714,0.1953690714,GGA,Cm,A4B2C_mC112_8_16a8b_8a4b_8a:O-Sb-Zn,56.0,"Invalid WP multiplicities - A4B2C_mC112_8_16a16b_8a7b_8a:O-Sb-Zn, expected Zn4Sb11O24 to be Zn(SbO2)2" +mp-1047593,Zn(SbO2)2,-5.7263353307,-1.5399780543,0.2236755043,0.2236755043,GGA,Pbcm,A4B2C_oP28_57_cde_e_d:O-Sb-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_57_3c3d5e_e_d:O-Sb-Zn, expected Zn(SbO8)2 to be Zn(SbO2)2" +mp-1047017,Zn(SbO2)2,-5.6489903171,-1.4626330407,0.3010205179,0.3010205179,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Sb-Zn,28.0,A4B2C_oP28_62_4c_2c_c:O-Sb-Zn +mp-1047339,Zn(SbO2)2,-5.5001973736,-1.3138400971,0.4498134614,0.4498134614,GGA,Cmcm,A4B2C_oC28_63_acf_f_c:O-Sb-Zn,14.0,A4B2C_oC28_63_acf_f_c:O-Sb-Zn +mp-1041530,Zn(SbO2)2,-5.6631278514000005,-1.476770575,0.2868829836,0.2868829836,GGA,Imma,A4B2C_oI28_74_hi_ae_c:O-Sb-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:O-Sb-Zn, expected Zn(SbO5)2 to be Zn(SbO2)2" +mp-5388,Zn(SbO2)2,-5.9369011207,-1.7505438443,0.0131097143,0.0131097143,GGA,P4_2/mbc,A4B2C_tP28_135_gh_h_d:O-Sb-Zn,28.0,A4B2C_tP28_135_gh_h_d:O-Sb-Zn +mp-1044679,Zn(SbO2)2,-5.630369855,-1.4440125786,0.31964098,0.31964098,GGA,R3m,A4B2C_hR42_160_2a2b_ab_2a:O-Sb-Zn,14.0,A4B2C_hR42_160_2a2b_ab_2a:O-Sb-Zn +mp-1046871,Zn(SbO2)2,-5.58999561,-1.4036383336,0.360015225,0.360015225,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Sb-Zn,14.0,A4B2C_cF56_227_e_c_b:O-Sb-Zn +mp-1041117,ZnSb4O9,-5.85857541,-1.4088649121,0.4291786386,0.4291786386,GGA,P4/n,A9B4C_tP28_85_a2g_g_c:O-Sb-Zn,28.0,A9B4C_tP28_85_a2g_g_c:O-Sb-Zn +mp-1042687,ZnCu3(SbO3)4,-5.8608703615,-1.3891887058,0.2020107663,0.2020107663,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sb-Zn,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sb-Zn +mp-1046270,Zn(SbO2)4,-6.0892876308,-1.6778062262,0.1237587358,0.1237587358,GGA,P1,A8B4C_aP13_1_8a_4a_a:O-Sb-Zn,13.0,A8B4C_aP13_1_8a_4a_a:O-Sb-Zn +mp-1047983,Zn(SbO2)4,-5.8601253292,-1.4486439246,0.3529210373,0.3529210373,GGA,Cm,A8B4C_mC26_8_8a_4a_a:O-Sb-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-Sb-Zn +mp-1043668,Zn(SbO2)4,-5.7462661208,-1.3347847162,0.4667802458,0.4667802458,GGA,R-3m,A8B4C_hR39_166_ch_bd_a:O-Sb-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:O-Sb-Zn, expected Zn(Sb2O7)2 to be Zn(SbO2)4" +mp-1045304,Zn(SbO3)2,-6.1258504228,-1.7705306053,0.1150366522,-0.0219279558,GGA,Pmn2_1,A6B2C_oP18_31_2a2b_b_a:O-Sb-Zn,18.0,"Invalid WP multiplicities - A6B2C_oP18_31_2a3b_b_a:O-Sb-Zn, expected Zn(SbO4)2 to be Zn(SbO3)2" +mp-3188,Zn(SbO3)2,-6.240887075,-1.8855672575,0.0,-0.136964608,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Sb-Zn,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:O-Sb-Zn, expected Zn(SbO5)2 to be Zn(SbO3)2" +mp-1367192,ZnSb2O5,-5.8473268225,-1.5659281167,0.2663018975,0.2663018975,GGA,P1,A5B2C_aP16_1_10a_4a_2a:O-Sb-Zn,16.0,A5B2C_aP16_1_10a_4a_2a:O-Sb-Zn +mp-1042973,ZnSb2O5,-5.7959599756,-1.5145612698000002,0.3176687444,0.3176687444,GGA,Cmcm,A5B2C_oC32_63_c2f_f_c:O-Sb-Zn,16.0,A5B2C_oC32_63_c2f_f_c:O-Sb-Zn +mp-1040977,ZnCu2(SbO4)2,-5.7959938013,-1.3890961767,0.206583029,0.206583029,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-Sb-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-Sb-Zn, expected ZnCu6Sb5O26 to be ZnCu2(SbO4)2" +mp-1215862,Zn7(SbO6)2,-5.4587800012,-1.8189479876,0.0128866995,0.0128866995,GGA,P-1,A12B2C7_aP42_2_12i_afi_be6i:O-Sb-Zn,42.0,"Invalid WP multiplicities - A12B2C7_aP42_2_24i_afi_be10i:O-Sb-Zn, expected Zn11(SbO12)2 to be Zn7(SbO6)2" +mp-675797,Zn7(SbO6)2,-5.4627517781,-1.8229197645,0.0089149226,0.0089149226,GGA,C2/c,A12B2C7_mC84_15_6f_f_ace2f:O-Sb-Zn,42.0,"Invalid WP multiplicities - A12B2C7_mC84_15_21f_f_2a2c2e6f:O-Sb-Zn, expected Zn9SbO21 to be Zn7(SbO6)2" +mp-1046782,Zn2Sb2O5,-5.4554292072,-1.5097699565,0.2600795356,0.2600795356,GGA,Pbam,A5B2C2_oP18_55_agh_g_h:O-Sb-Zn,18.0,"Invalid WP multiplicities - A5B2C2_oP18_55_2a2g3h_g_h:O-Sb-Zn, expected ZnSbO6 to be Zn2Sb2O5" +mp-1345267,Zn3Sb2O7,-5.5663742842,-1.6777030934,0.1409620025,0.1409620025,GGA,Cmc2_1,A7B2C3_oC48_36_a3b_b_ab:O-Sb-Zn,24.0,"Invalid WP multiplicities - A7B2C3_oC48_36_a4b_b_ab:O-Sb-Zn, expected Zn3Sb2O9 to be Zn3Sb2O7" +mp-1330925,ZnCuSb2O7,-5.8574065435,-1.4716089309,0.2426608415,0.2426608415,GGA,P2/c,AB7C2D_mP66_13_eg_f10g_3g_eg:Cu-O-Sb-Zn,66.0,"Invalid WP multiplicities - AB7C2D_mP66_13_2e3g_2f38g_9g_2e3g:Cu-O-Sb-Zn, expected Zn4Cu4(Sb3O13)3 to be ZnCuSb2O7" +mp-1398116,Zn2Sb3O8,-5.8168733138,-1.6261040346,0.2029956138,0.2029956138,GGA,C2/m,A8B3C2_mC26_12_2ij_ah_i:O-Sb-Zn,13.0,A8B3C2_mC26_12_2ij_ah_i:O-Sb-Zn +mp-1042516,Zn2Sb3O8,-5.7759416969,-1.5851724177,0.2439272308,0.2439272308,GGA,P6_3mc,A8B3C2_hP26_186_ab2c_c_2b:O-Sb-Zn,26.0,"Invalid WP multiplicities - A8B3C2_hP26_186_a2b3c_c_2b:O-Sb-Zn, expected Zn2(SbO4)3 to be Zn2Sb3O8" +mp-1337297,Zn2CuSbO6,-5.52650095,-1.4837182103,0.1187300133,0.1187300133,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Cu-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Cu-O-Sb-Zn, expected Zn2CuSbO16 to be Zn2CuSbO6" +mp-1348382,ZnSbO3,-5.7085698435,-1.6628076467,0.1612834165,0.1612834165,GGA,P2_1/m,A3BC_mP20_11_2e2f_ad_2e:O-Sb-Zn,20.0,"Invalid WP multiplicities - A3BC_mP20_11_4e6f_ac_2e:O-Sb-Zn, expected ZnSbO8 to be ZnSbO3" +mp-650031,La4(GeS4)3,-6.0249535976,-1.6433477878,0.0064612647,0.0064612647,GGA,R3c,A3B4C12_hR114_161_b_ab_4b:Ge-La-S,38.0,"Invalid WP multiplicities - A3B4C12_hR114_161_b_2a2b_20b:Ge-La-S, expected La8(GeS20)3 to be La4(GeS4)3" +mp-4841,LaCuS2,-6.0451026481,-1.7180742709,0.0,-0.03137114,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-La-S,16.0,ABC2_mP16_14_e_e_2e:Cu-La-S +mp-622086,La2GeS5,-6.2318107381,-1.8346493132,0.0,-0.0084352029,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-La-S,32.0,"Invalid WP multiplicities - AB2C5_mP32_14_e_5e_16e:Ge-La-S, expected La5GeS16 to be La2GeS5" +mp-1196611,La2GeS5,-6.0958486575,-1.6986872326,0.1359620806,0.1275268777,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-La-S,32.0,AB2C5_mP32_14_e_2e_5e:Ge-La-S +mp-1211918,La3Cu2S7,-5.9595534508,-1.6294214739,0.1188277436,0.1188277436,GGA,P6_3,A2B3C7_hP24_173_ab_c_b2c:Cu-La-S,24.0,A2B3C7_hP24_173_ab_c_b2c:Cu-La-S +mp-31273,La2CuS4,-6.2872350564,-1.9276607211,0.0,-0.0037766539,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Cu-La-S,28.0,AB2C4_mP28_14_e_2e_4e:Cu-La-S +mp-1147713,La2CuS4,-6.1836918357,-1.8241175004,0.1035432207,0.0997665668,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Cu-La-S,7.0,AB2C4_tI14_139_a_e_ce:Cu-La-S +mp-582767,La3CuGeS7,-6.2247443921,-1.8509606497,0.0,-0.055169684,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-La-S,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_2b8c:Cu-Ge-La-S, expected La3CuGeS26 to be La3CuGeS7" +mp-1223620,La12Ge5S28,-6.3071536867,-1.9034243354,0.0045267094,0.0045267094,GGA,P1,A5B12C28_aP45_1_5a_12a_28a:Ge-La-S,45.0,A5B12C28_aP45_1_5a_12a_28a:Ge-La-S +mp-1639950,LiMn2O3,-7.920482619599999,-2.0749793555,0.0253097663,0.0253097663,GGA+U,P1,AB2C3_aP24_1_4a_8a_12a:Li-Mn-O,24.0,AB2C3_aP24_1_4a_8a_12a:Li-Mn-O +mp-1639919,LiMn2O3,-7.9203140862,-2.0748108222,0.0254782996,0.0254782996,GGA+U,C2,AB2C3_mC48_5_2a2b_ab3c_6c:Li-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_5_2a2b_ab3c_12c:Li-Mn-O, expected LiMn2O6 to be LiMn2O3" +mp-770537,LiMn2O3,-7.9181182529,-2.0726149888,0.0276741329,0.0276741329,GGA+U,C2/c,AB2C3_mC48_15_2e_cef_3f:Li-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_2e_ce2f_3f:Li-Mn-O, expected LiMn3O3 to be LiMn2O3" +mp-675075,Li7Mn10O20,-7.1170810968,-1.6058273883,0.5069377414,0.5069377414,GGA+U,P1,A7B10C20_aP37_1_7a_10a_20a:Li-Mn-O,37.0,A7B10C20_aP37_1_7a_10a_20a:Li-Mn-O +mp-530336,Li9Mn22O48,-7.6900147238,-1.9155121875,0.0496987323,0.0496987323,GGA+U,Cm,A9B22C48_mC158_8_9a_10a6b_24a12b:Li-Mn-O,79.0,"Invalid WP multiplicities - A9B22C48_mC158_8_9a_10a7b_24a22b:Li-Mn-O, expected Li9Mn24O68 to be Li9Mn22O48" +mp-531021,Li11Mn13O32,-7.3598222827,-2.0312796204,0.0119412353,0.0119412353,GGA+U,C2/m,A11B13C32_mC112_12_ah2ij_bfi2j_4i6j:Li-Mn-O,56.0,"Invalid WP multiplicities - A11B13C32_mC112_12_a2h4i4j_b2e2i6j_7i20j:Li-Mn-O, expected Li29Mn33O94 to be Li11Mn13O32" +mp-770511,LiMn3O5,-8.0463289469,-2.0320609137,0.0524662919,0.0524662919,GGA+U,Pbam,AB3C5_oP36_55_g_adgh_3g2h:Li-Mn-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_55_g_2a2d2g4h_10g7h:Li-Mn-O, expected LiMn8O17 to be LiMn3O5" +mp-694894,LiMn12O24,-8.0530120572,-1.8212921804,0.036180016,0.036180016,GGA+U,P2/c,AB12C24_mP74_13_e_ab5g_12g:Li-Mn-O,74.0,"Invalid WP multiplicities - AB12C24_mP74_13_e_2a2b14g_44g:Li-Mn-O, expected LiMn32O88 to be LiMn12O24" +mp-1176815,Li9Mn5O12,-6.7654331835,-2.0596390759,0.0781399352,0.0781399352,GGA+U,C2/c,A9B5C12_mC104_15_abe3f_c2f_6f:Li-Mn-O,52.0,"Invalid WP multiplicities - A9B5C12_mC104_15_2a2b2e11f_2c7f_22f:Li-Mn-O, expected Li7Mn4O11 to be Li9Mn5O12" +mp-753105,Li2Mn5O10,-7.7660705218,-1.936964092,0.0908176009,0.0908176009,GGA+U,P-1,A2B5C10_aP17_2_i_a2i_5i:Li-Mn-O,17.0,"Invalid WP multiplicities - A2B5C10_aP17_2_i_a3i_9i:Li-Mn-O, expected Li2Mn7O18 to be Li2Mn5O10" +mp-690161,Li9Mn20O40,-7.8138201126,-2.0415279374,0.0102867508,0.0102867508,GGA+U,P1,A9B20C40_aP69_1_9a_20a_40a:Li-Mn-O,69.0,A9B20C40_aP69_1_9a_20a_40a:Li-Mn-O +mp-673697,Li9Mn20O40,-7.7386341245,-1.9663419493,0.0854727389,0.0854727389,GGA+U,I-4,A9B20C40_tI138_82_a2g_5g_10g:Li-Mn-O,69.0,"Invalid WP multiplicities - A9B20C40_tI138_82_a5g_17g_35g:Li-Mn-O, expected Li21Mn68O140 to be Li9Mn20O40" +mp-770527,Li2Mn4O9,-7.568121215,-1.9023808615,0.0778719276,0.0778719276,GGA+U,P-3c1,A2B4C9_hP30_165_c_2d_fg:Li-Mn-O,30.0,"Invalid WP multiplicities - A2B4C9_hP30_165_c_5d_5f5g:Li-Mn-O, expected Li2Mn10O45 to be Li2Mn4O9" +mp-698703,Li15Mn21O43,-7.4865150205,-1.9960874418,0.112109291,0.112109291,GGA+U,P1,A15B21C43_aP79_1_15a_21a_43a:Li-Mn-O,79.0,A15B21C43_aP79_1_15a_21a_43a:Li-Mn-O +mp-759819,Li13Mn17O40,-7.452623348,-2.0463689811,0.0136138622,0.0136138622,GGA+U,C2/m,A13B17C40_mC140_12_c6i_ae3i2j_10i5j:Li-Mn-O,70.0,"Invalid WP multiplicities - A13B17C40_mC140_12_a12i_d2e5i5j_20i17j:Li-Mn-O, expected Li25Mn35O108 to be Li13Mn17O40" +mp-1003549,LiMn16O32,-8.098500971,-1.8373743118,0.0076585228,0.0076585228,GGA+U,Pm,AB16C32_mP49_6_a_4a4b4c_8a8b8c:Li-Mn-O,49.0,AB16C32_mP49_6_a_4a4b4c_8a8b8c:Li-Mn-O +mp-685250,LiMn16O32,-7.9964914976,-1.7353648384,0.1096679963,0.1096679963,GGA+U,Cm,AB16C32_mC98_8_a_8a4b_16a8b:Li-Mn-O,49.0,"Invalid WP multiplicities - AB16C32_mC98_8_a_8a6b_16a15b:Li-Mn-O, expected LiMn20O46 to be LiMn16O32" +mp-754393,Li5Mn7O12,-7.6317784496,-2.0884873699,0.0419102465,0.0419102465,GGA+U,C2,A5B7C12_mC48_5_a2c_2a3bc_6c:Li-Mn-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_a4c_2a3b2c_6c:Li-Mn-O, expected Li3Mn3O4 to be Li5Mn7O12" +mp-759775,Li8Mn9O18,-7.454207274,-2.1179239207,0.027648598,0.027648598,GGA+U,P1,A8B9C18_aP70_1_16a_18a_36a:Li-Mn-O,70.0,A8B9C18_aP70_1_16a_18a_36a:Li-Mn-O +mp-758672,Li15Mn2O12,-5.6926076928,-2.026464999,0.0563256722,0.0563256722,GGA+U,P1,A15B2C12_aP29_1_15a_2a_12a:Li-Mn-O,29.0,A15B2C12_aP29_1_15a_2a_12a:Li-Mn-O +mp-761797,Li6Mn15O32,-7.7331275626,-1.9373199147,0.0428720055,0.0428720055,GGA+U,P-1,A6B15C32_aP53_2_3i_abcdh5i_16i:Li-Mn-O,53.0,"Invalid WP multiplicities - A6B15C32_aP53_2_4i_abcdh9i_31i:Li-Mn-O, expected Li8Mn23O62 to be Li6Mn15O32" +mp-757508,Li6Mn15O32,-7.7097959132,-1.9139882653,0.0662036549,0.0662036549,GGA+U,C2/m,A6B15C32_mC106_12_3i_aef3ij_8i4j:Li-Mn-O,53.0,"Invalid WP multiplicities - A6B15C32_mC106_12_4i_aef5i2j_16i11j:Li-Mn-O, expected Li8Mn23O76 to be Li6Mn15O32" +mp-1177463,Li4Mn9O18,-7.7518174811,-1.9732940651,0.0758847462,0.0758847462,GGA+U,Pbam,A4B9C18_oP62_55_2g_a2g2h_4g5h:Li-Mn-O,62.0,"Invalid WP multiplicities - A4B9C18_oP62_55_5g_2a8g6h_12g20h:Li-Mn-O, expected Li5Mn15O32 to be Li4Mn9O18" +mp-774493,Li5Mn7O15,-7.4950648437,-2.0180629161,0.0756405648,0.0756405648,GGA+U,Cm,A5B7C15_mC54_8_5a_3a2b_7a4b:Li-Mn-O,27.0,"Invalid WP multiplicities - A5B7C15_mC54_8_5a_3a3b_7a7b:Li-Mn-O, expected Li5Mn9O21 to be Li5Mn7O15" +mp-762514,LiMn3O6,-7.8543075102,-1.9467974092,0.0478187501,0.0478187501,GGA+U,P1,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O,40.0,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O +mp-880027,LiMn3O6,-6.9671475157,-1.0596374147,0.9349787446,0.9349787446,GGA+U,P1,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O,40.0,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O +mp-763655,LiMn3O6,-7.886240369,-1.978730268,0.0158858914,0.0158858914,GGA+U,P1,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O,40.0,AB3C6_aP40_1_4a_12a_24a:Li-Mn-O +mp-758278,LiMn3O6,-7.7924388555,-1.8849287545,0.1096874049,0.1096874049,GGA+U,C2,AB3C6_mC80_5_2c_2a5c_12c:Li-Mn-O,40.0,"Invalid WP multiplicities - AB3C6_mC80_5_3c_2a10c_21c:Li-Mn-O, expected Li3Mn11O21 to be LiMn3O6" +mp-1003637,LiMn3O6,-7.876754779,-1.969244678,0.0253714814,0.0253714814,GGA+U,Cm,AB3C6_mC20_8_a_3a_6a:Li-Mn-O,10.0,AB3C6_mC20_8_a_3a_6a:Li-Mn-O +mp-753112,LiMn3O6,-7.852476272,-1.944966171,0.0496499884,0.0496499884,GGA+U,Cc,AB3C6_mC40_9_a_3a_6a:Li-Mn-O,20.0,"Invalid WP multiplicities - AB3C6_mC40_9_a_5a_10a:Li-Mn-O, expected LiMn5O10 to be LiMn3O6" +mp-1176672,LiMn3O6,-7.887916697,-1.980406596,0.0142095634,0.0142095634,GGA+U,Cc,AB3C6_mC80_9_2a_6a_12a:Li-Mn-O,40.0,AB3C6_mC80_9_4a_12a_24a:Li-Mn-O +mp-753228,LiMn3O6,-7.870055633,-1.962545532,0.0320706274,0.0320706274,GGA+U,C2/m,AB3C6_mC20_12_c_bg_ij:Li-Mn-O,10.0,"Invalid WP multiplicities - AB3C6_mC20_12_c_ag_2ij:Li-Mn-O, expected LiMn3O8 to be LiMn3O6" +mp-758426,LiMn3O6,-7.8270682053,-1.9195581042,0.0750580551,0.0750580551,GGA+U,I4_1/amd,AB3C6_tI80_141_e_ch_3h:Li-Mn-O,40.0,"Invalid WP multiplicities - AB3C6_tI80_141_e_2c2h_8h:Li-Mn-O, expected LiMn6O16 to be LiMn3O6" +mp-773132,Li8Mn2O9,-6.0946081153,-1.9832601195,0.0671755695,0.0671755695,GGA+U,P-1,A8B2C9_aP76_2_16i_4i_18i:Li-Mn-O,76.0,"Invalid WP multiplicities - A8B2C9_aP76_2_31i_7i_35i:Li-Mn-O, expected Li31Mn7O35 to be Li8Mn2O9" +mp-14115,LiRhO2,-6.348113115,-1.5564610752,0.0,-0.0109771828,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-O-Rh,4.0,AB2C_hR12_166_a_c_b:Li-O-Rh +mp-14476,LiRhO2,-6.3381706062,-1.5465185665,0.0099425087,-0.0010346741,GGA,Fd-3m,AB2C_cF64_227_c_e_d:Li-O-Rh,16.0,AB2C_cF64_227_c_e_d:Li-O-Rh +mp-758656,Li2Mn7O12,-8.0680771726,-2.0055906339,0.0573436998,0.0573436998,GGA+U,P2_1,A2B7C12_mP42_4_2a_7a_12a:Li-Mn-O,42.0,A2B7C12_mP42_4_4a_14a_24a:Li-Mn-O +mp-758668,Li2Mn5O12,-7.5004526187,-1.7642322645,0.0843901693,0.0843901693,GGA+U,Cc,A2B5C12_mC76_9_2a_5a_12a:Li-Mn-O,38.0,"Invalid WP multiplicities - A2B5C12_mC76_9_2a_10a_24a:Li-Mn-O, expected LiMn5O12 to be Li2Mn5O12" +mp-675534,Li7Mn10O24,-7.4430771322,-1.9869029357,0.0200027666,0.0200027666,GGA+U,C2,A7B10C24_mC82_5_a3c_5c_12c:Li-Mn-O,41.0,"Invalid WP multiplicities - A7B10C24_mC82_5_a5c_10c_23c:Li-Mn-O, expected Li11Mn20O46 to be Li7Mn10O24" +mp-753134,Li6Mn5O10,-7.1657646976,-2.0833598989,0.0466036167,0.0466036167,GGA+U,Cm,A6B5C10_mC42_8_3b_a2b_2a4b:Li-Mn-O,21.0,"Invalid WP multiplicities - A6B5C10_mC42_8_6b_a3b_2a8b:Li-Mn-O, expected Li12Mn7O18 to be Li6Mn5O10" +mp-1097905,Li3Mn4O8,-7.4692426068,-2.0060199763,0.1169958978,0.1169958978,GGA+U,P1,A3B4C8_aP60_1_12a_16a_32a:Li-Mn-O,60.0,A3B4C8_aP60_1_12a_16a_32a:Li-Mn-O +mp-1177674,Li3Mn4O8,-7.5292573947,-2.0660347641,0.05698111,0.05698111,GGA+U,P1,A3B4C8_aP60_1_12a_16a_32a:Li-Mn-O,60.0,A3B4C8_aP60_1_12a_16a_32a:Li-Mn-O +mp-760821,Li3Mn4O8,-7.5217201617,-2.0584975311,0.064518343,0.064518343,GGA+U,P1,A3B4C8_aP30_1_6a_8a_16a:Li-Mn-O,30.0,A3B4C8_aP30_1_6a_8a_16a:Li-Mn-O +mp-753028,Li3Mn4O8,-7.5588129267,-2.0955902961,0.027425578,0.027425578,GGA+U,C2/m,A3B4C8_mC30_12_bf_ace_2ij:Li-Mn-O,15.0,"Invalid WP multiplicities - A3B4C8_mC30_12_af_bc2e_2ij:Li-Mn-O, expected Li3Mn6O8 to be Li3Mn4O8" +mp-765459,Li3Mn4O8,-7.528705113,-2.0654824824,0.0575333917,0.0575333917,GGA+U,P-1,A3B4C8_aP30_2_abehi_cf3i_8i:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_aP30_2_abeh2i_cf5i_16i:Li-Mn-O, expected Li2Mn3O8 to be Li3Mn4O8" +mp-1080219,Li3Mn4O8,-7.45619038,-1.9929677494,0.1300481247,0.1300481247,GGA+U,P-1,A3B4C8_aP60_2_6i_8i_16i:Li-Mn-O,60.0,"Invalid WP multiplicities - A3B4C8_aP60_2_12i_14i_30i:Li-Mn-O, expected Li6Mn7O15 to be Li3Mn4O8" +mp-1177617,Li3Mn4O8,-7.5293406407,-2.0661180101,0.056897864,0.056897864,GGA+U,P-1,A3B4C8_aP30_2_abehi_cf3i_8i:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_aP30_2_abeh2i_cf5i_16i:Li-Mn-O, expected Li2Mn3O8 to be Li3Mn4O8" +mp-1097902,Li3Mn4O8,-7.4858686623,-2.0226460318,0.1003698423,0.1003698423,GGA+U,P2_1,A3B4C8_mP60_4_6a_8a_16a:Li-Mn-O,60.0,"Invalid WP multiplicities - A3B4C8_mP60_4_12a_15a_31a:Li-Mn-O, expected Li12Mn15O31 to be Li3Mn4O8" +mp-1045540,Li3Mn4O8,-7.5488714007,-2.0856487701,0.037367104,0.037367104,GGA+U,Cm,A3B4C8_mC30_8_ab_2ab_4a2b:Li-Mn-O,15.0,"Invalid WP multiplicities - A3B4C8_mC30_8_ab_2a2b_4a2b:Li-Mn-O, expected Li3Mn6O8 to be Li3Mn4O8" +mp-1003769,Li3Mn4O8,-7.5217943067,-2.0585716761,0.064444198,0.064444198,GGA+U,C2/m,A3B4C8_mC30_12_ah_fi_2ij:Li-Mn-O,15.0,"Invalid WP multiplicities - A3B4C8_mC30_12_ah_fi_4i2j:Li-Mn-O, expected Li3Mn4O16 to be Li3Mn4O8" +mp-753674,Li3Mn4O8,-7.5596619803,-2.0964393498,0.0265765243,0.0265765243,GGA+U,C2/m,A3B4C8_mC30_12_ce_abf_2ij:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_mC30_12_cf_2abe_2ij:Li-Mn-O, expected Li3Mn5O8 to be Li3Mn4O8" +mp-1080207,Li3Mn4O8,-7.5192532037,-2.0560305731,0.066985301,0.066985301,GGA+U,C2/m,A3B4C8_mC60_12_adj_ef2i_4i2j:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_mC60_12_acj_2e2f2i_8i8j:Li-Mn-O, expected LiMn2O8 to be Li3Mn4O8" +mp-1289284,Li3Mn4O8,-7.5343395347,-2.0711169041,0.05189897,0.05189897,GGA+U,C2/m,A3B4C8_mC30_12_bi_ace_2ij:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_mC30_12_bi_2ac3e_3ij:Li-Mn-O, expected Li3Mn9O10 to be Li3Mn4O8" +mp-1305278,Li3Mn4O8,-7.529800838,-2.0665782074,0.0564376667,0.0564376667,GGA+U,C2/c,A3B4C8_mC60_15_cf_abde_4f:Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C8_mC60_15_af_2b2c2de_11f:Li-Mn-O, expected Li3Mn7O22 to be Li3Mn4O8" +mp-754894,Li3Mn4O8,-7.514709394,-2.0514867634,0.0715291107,0.0715291107,GGA+U,R-3m,A3B4C8_hR45_166_bc_ad_ch:Li-Mn-O,15.0,"Invalid WP multiplicities - A3B4C8_hR45_166_b2c_ad_2c3h:Li-Mn-O, expected Li5Mn4O22 to be Li3Mn4O8" +mp-1638896,Li5Mn6O12,-7.4966217509,-2.1106665065,0.0271145728,0.0271145728,GGA+U,P1,A5B6C12_aP23_1_5a_6a_12a:Li-Mn-O,23.0,A5B6C12_aP23_1_5a_6a_12a:Li-Mn-O +mp-756143,Li5Mn6O12,-7.4813652865,-2.0954100421,0.0423710372,0.0423710372,GGA+U,P-1,A5B6C12_aP23_2_a2i_3i_6i:Li-Mn-O,23.0,"Invalid WP multiplicities - A5B6C12_aP23_2_a2i_5i_10i:Li-Mn-O, expected LiMn2O4 to be Li5Mn6O12" +mp-1173947,Li3Mn2O5,-7.028595545,-2.150171271,0.0224804995,0.0224804995,GGA+U,P-1,A3B2C5_aP20_2_bd2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_bd2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173961,Li3Mn2O5,-6.997235153,-2.118810879,0.0538408915,0.0538408915,GGA+U,P-1,A3B2C5_aP20_2_bd2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_bd2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173962,Li3Mn2O5,-7.0294358215,-2.1510115475,0.021640223,0.021640223,GGA+U,P-1,A3B2C5_aP20_2_ac2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_ac2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173969,Li3Mn2O5,-7.0048996175,-2.1264753435,0.046176427,0.046176427,GGA+U,P-1,A3B2C5_aP20_2_ab2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_ab2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173972,Li3Mn2O5,-6.9929593285,-2.1145350545,0.058116716,0.058116716,GGA+U,P-1,A3B2C5_aP20_2_ac2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_ac2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173991,Li3Mn2O5,-6.9920446475,-2.1136203735,0.059031397,0.059031397,GGA+U,P-1,A3B2C5_aP20_2_ae2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_ae2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1174008,Li3Mn2O5,-7.000865088,-2.122440814,0.0502109565,0.0502109565,GGA+U,P-1,A3B2C5_aP20_2_bd2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_bd2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1371686,Li3Mn2O5,-5.535693662,-0.657269388,1.5153823825,1.5153823825,GGA+U,P-1,A3B2C5_aP20_2_be2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_be4i_2i_10i:Li-Mn-O, expected Li5Mn2O10 to be Li3Mn2O5" +mp-1173945,Li3Mn2O5,-6.9977720315,-2.1193477575,0.053304013,0.053304013,GGA+U,C2/m,A3B2C5_mC40_12_ad2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ac2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173952,Li3Mn2O5,-7.0282899125,-2.1498656385,0.022786132,0.022786132,GGA+U,C2/m,A3B2C5_mC40_12_ad2g_2h_i2j:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ac2g_4h_i2j:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1173964,Li3Mn2O5,-6.9969387005,-2.1185144265,0.054137344,0.054137344,GGA+U,C2/m,A3B2C5_mC40_12_ad2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ac2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1174015,Li3Mn2O5,-7.0030833285,-2.1246590545,0.047992716,0.047992716,GGA+U,C2/m,A3B2C5_mC40_12_ad2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ac2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1174036,Li3Mn2O5,-6.987105157,-2.108680883,0.0639708875,0.0639708875,GGA+U,C2/m,A3B2C5_mC40_12_ac2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ad3i_2i_10i:Li-Mn-O, expected Li2MnO5 to be Li3Mn2O5" +mp-1174041,Li3Mn2O5,-6.8671658045,-1.9887415305,0.18391024,0.18391024,GGA+U,C2/m,A3B2C5_mC40_12_ad2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ac3i_2i_10i:Li-Mn-O, expected Li2MnO5 to be Li3Mn2O5" +mp-1174068,Li3Mn2O5,-6.999901993,-2.121477719,0.0511740515,0.0511740515,GGA+U,C2/m,A3B2C5_mC40_12_ac2i_2i_5i:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_mC40_12_ad2i_4i_5i:Li-Mn-O, expected Li3Mn4O5 to be Li3Mn2O5" +mp-1174157,Li3Mn2O5,-6.8178574335,-1.9394331595,0.233218611,0.233218611,GGA+U,R-3m,A3B2C5_hR60_166_ab2c_2c_5c:Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C5_hR60_166_ab4c_2c_9c:Li-Mn-O, expected Li5Mn2O9 to be Li3Mn2O5" +mp-530398,Li13Mn21O48,-7.5584616678,-2.0138351246,0.0090787371,0.0090787371,GGA+U,Cm,A13B21C48_mC164_8_13a_9a6b_24a12b:Li-Mn-O,82.0,"Invalid WP multiplicities - A13B21C48_mC164_8_13a_9a12b_24a19b:Li-Mn-O, expected Li13Mn33O62 to be Li13Mn21O48" +mp-770534,Li2Mn3O7,-7.5065766883,-2.0123506393,0.011295813,0.011295813,GGA+U,P-1,A2B3C7_aP24_2_2i_3i_7i:Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3C7_aP24_2_3i_5i_13i:Li-Mn-O, expected Li3Mn5O13 to be Li2Mn3O7" +mp-758273,Li2Mn3O6,-7.5637303361,-2.0197281655,0.0860478202,0.0860478202,GGA+U,P1,A2B3C6_aP44_1_8a_12a_24a:Li-Mn-O,44.0,A2B3C6_aP44_1_8a_12a_24a:Li-Mn-O +mp-758757,Li2Mn3O6,-7.5876094339,-2.0436072633,0.0621687224,0.0621687224,GGA+U,P1,A2B3C6_aP66_1_12a_18a_36a:Li-Mn-O,66.0,A2B3C6_aP66_1_12a_18a_36a:Li-Mn-O +mp-752668,Li2Mn3O6,-7.5810152132,-2.0370130425,0.0687629432,0.0687629432,GGA+U,Cc,A2B3C6_mC44_9_2a_3a_6a:Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C6_mC44_9_4a_5a_10a:Li-Mn-O, expected Li4Mn5O10 to be Li2Mn3O6" +mp-762412,Li2Mn3O6,-7.6186051695,-2.0746029989,0.0311729868,0.0311729868,GGA+U,C2/m,A2B3C6_mC22_12_h_ag_ij:Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C6_mC22_12_h_2a2g_ij:Li-Mn-O, expected LiMn3O3 to be Li2Mn3O6" +mp-1003313,Li2Mn3O6,-7.6055919173,-2.0615897466,0.0441862391,0.0441862391,GGA+U,C2/m,A2B3C6_mC22_12_i_ai_3i:Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C6_mC22_12_i_2a2i_3i:Li-Mn-O, expected LiMn3O3 to be Li2Mn3O6" +mp-754532,Li2Mn3O6,-7.5522384786,-2.008236308,0.0975396777,0.0975396777,GGA+U,Cmce,A2B3C6_oC44_64_e_ad_fg:Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C6_oC44_64_e_ad_2f2g:Li-Mn-O, expected Li2Mn3O12 to be Li2Mn3O6" +mp-752842,Li6MnO6,-5.7610639785,-1.8921651508,0.09812599,0.09812599,GGA+U,R-3,A6BC6_hR39_148_f_a_f:Li-Mn-O,13.0,A6BC6_hR39_148_f_a_f:Li-Mn-O +mp-764770,Li13Mn2O9,-5.6749129575,-2.0224035303,0.0511052254,0.0511052254,GGA+U,P1,A13B2C9_aP24_1_13a_2a_9a:Li-Mn-O,48.0,"Invalid WP multiplicities - A13B2C9_aP24_1_13a_4a_9a:Li-Mn-O, expected Li13Mn4O9 to be Li13Mn2O9" +mp-1653421,Li13Mn2O9,-5.6721692183,-2.0196597912,0.0538489646,0.0538489646,GGA+U,P1,A13B2C9_aP48_1_26a_4a_18a:Li-Mn-O,48.0,A13B2C9_aP48_1_26a_4a_18a:Li-Mn-O +mp-1185524,Li95Mn16O64,-5.7294558918,-2.0464387802,0.0076981931,0.0076981931,GGA+U,Pmm2,A95B16C64_oP175_25_3a4b4c4d20i_2e2f2g2h_4e4f4g4h8i:Li-Mn-O,175.0,A95B16C64_oP175_25_3a4b4c4d20i_2e2f2g2h_4e4f4g4h8i:Li-Mn-O +mp-753084,Li3Mn5O10,-7.6447737872,-2.0334553332,0.0579540789,0.0579540789,GGA+U,P-1,A3B5C10_aP18_2_bi_e2i_5i:Li-Mn-O,18.0,"Invalid WP multiplicities - A3B5C10_aP18_2_b2i_e3i_9i:Li-Mn-O, expected Li5Mn7O18 to be Li3Mn5O10" +mp-1639930,Li7Mn5O12,-7.0791050704,-2.1402383595,0.0303891344,0.0303891344,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_1_7a_6a_12a:Li-Mn-O, expected Li7Mn6O12 to be Li7Mn5O12" +mp-1642266,Li7Mn5O12,-7.0825260533,-2.1436593424,0.0269681515,0.0269681515,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,24.0,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O +mp-1640981,Li7Mn5O12,-7.07812336,-2.1392566491,0.0313708448,0.0313708448,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,24.0,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O +mp-1647928,Li7Mn5O12,-7.0786036571,-2.1397369462,0.0308905477,0.0308905477,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_1_7a_10a_12a:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1640750,Li7Mn5O12,-7.0788640054,-2.1399972945,0.0306301994,0.0306301994,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,24.0,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O +mp-1652820,Li7Mn5O12,-7.0785413083,-2.1396745974,0.0309528965,0.0309528965,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,24.0,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O +mp-1639949,Li7Mn5O12,-7.0843156575,-2.1454489466,0.0251785473,0.0251785473,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,24.0,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O +mp-1643980,Li7Mn5O12,-7.0826505635,-2.1437838526,0.0268436413,0.0268436413,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_1_7a_6a_12a:Li-Mn-O, expected Li7Mn6O12 to be Li7Mn5O12" +mp-1644001,Li7Mn5O12,-7.0820398496,-2.1431731387,0.0274543552,0.0274543552,GGA+U,P1,A7B5C12_aP24_1_7a_5a_12a:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_1_7a_10a_12a:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1977994,Li7Mn5O12,-7.0747214973,-2.1358547864,0.0347727075,0.0347727075,GGA+U,P1,A7B5C12_aP48_1_14a_10a_24a:Li-Mn-O,48.0,A7B5C12_aP48_1_14a_10a_24a:Li-Mn-O +mp-1175308,Li7Mn5O12,-7.0836261227,-2.1447594118,0.0258680821,0.0258680821,GGA+U,P-1,A7B5C12_aP24_2_acf2i_h2i_6i:Li-Mn-O,48.0,A7B5C12_aP24_2_acf2i_h2i_6i:Li-Mn-O +mp-1175310,Li7Mn5O12,-7.057058865,-2.1181921541,0.0524353398,0.0524353398,GGA+U,P-1,A7B5C12_aP24_2_abe2i_h2i_6i:Li-Mn-O,48.0,A7B5C12_aP24_2_abe2i_h2i_6i:Li-Mn-O +mp-1175313,Li7Mn5O12,-7.0858026973,-2.1469359864,0.0236915075,0.0236915075,GGA+U,P-1,A7B5C12_aP24_2_b3i_c2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_b3i_2c4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175314,Li7Mn5O12,-7.0962629133,-2.1573962024,0.0132312915,0.0132312915,GGA+U,P-1,A7B5C12_aP24_2_b3i_d2i_6i:Li-Mn-O,24.0,A7B5C12_aP24_2_b3i_c2i_6i:Li-Mn-O +mp-1175316,Li7Mn5O12,-7.0700704979,-2.131203787,0.0394237069,0.0394237069,GGA+U,P-1,A7B5C12_aP24_2_a3i_c2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a5i_c3i_11i:Li-Mn-O, expected Li11Mn7O22 to be Li7Mn5O12" +mp-1175317,Li7Mn5O12,-7.0807866579,-2.141919947,0.0287075469,0.0287075469,GGA+U,P-1,A7B5C12_aP48_2_ah6i_be4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_ah9i_be8i_21i:Li-Mn-O, expected Li10Mn9O21 to be Li7Mn5O12" +mp-1175318,Li7Mn5O12,-7.06698484,-2.1281181291,0.0425093648,0.0425093648,GGA+U,P-1,A7B5C12_aP24_2_b3i_d2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_b3i_2d4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175321,Li7Mn5O12,-7.0678610398,-2.1289943289,0.041633165,0.041633165,GGA+U,P-1,A7B5C12_aP24_2_acd2i_e2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acd2i_2e4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175323,Li7Mn5O12,-7.0678177731,-2.1289510622,0.0416764317,0.0416764317,GGA+U,P-1,A7B5C12_aP24_2_a3i_b2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a3i_2b4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175324,Li7Mn5O12,-7.029099405,-2.0902326941,0.0803947998,0.0803947998,GGA+U,P-1,A7B5C12_aP24_2_a3i_e2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a5i_e3i_11i:Li-Mn-O, expected Li11Mn7O22 to be Li7Mn5O12" +mp-1175325,Li7Mn5O12,-7.0789080283,-2.1400413174,0.0305861765,0.0305861765,GGA+U,P-1,A7B5C12_aP24_2_a3i_c2i_6i:Li-Mn-O,24.0,A7B5C12_aP24_2_a3i_c2i_6i:Li-Mn-O +mp-1175326,Li7Mn5O12,-7.0693468438,-2.1304801328,0.040147361,0.040147361,GGA+U,P-1,A7B5C12_aP24_2_a3i_b2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a3i_2b4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175328,Li7Mn5O12,-7.0688920833,-2.1300253724,0.0406021215,0.0406021215,GGA+U,P-1,A7B5C12_aP24_2_acf2i_h2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acf4i_h2i_12i:Li-Mn-O, expected Li11Mn5O24 to be Li7Mn5O12" +mp-1175331,Li7Mn5O12,-7.0739078842,-2.1350411732,0.0355863206,0.0355863206,GGA+U,P-1,A7B5C12_aP24_2_a3i_c2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a6i_c3i_12i:Li-Mn-O, expected Li13Mn7O24 to be Li7Mn5O12" +mp-1175332,Li7Mn5O12,-7.069751745,-2.1308850341,0.0397424598,0.0397424598,GGA+U,P-1,A7B5C12_aP24_2_acd2i_e2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acd4i_e3i_12i:Li-Mn-O, expected Li11Mn7O24 to be Li7Mn5O12" +mp-1175334,Li7Mn5O12,-7.0709420008,-2.1320752899,0.038552204,0.038552204,GGA+U,P-1,A7B5C12_aP24_2_a3i_d2i_6i:Li-Mn-O,24.0,A7B5C12_aP24_2_a3i_d2i_6i:Li-Mn-O +mp-1175335,Li7Mn5O12,-7.0682088698,-2.1293421589,0.041285335,0.041285335,GGA+U,P-1,A7B5C12_aP24_2_b3i_e2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_b3i_2e4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175337,Li7Mn5O12,-7.0721067642,-2.1332400532,0.0373874406,0.0373874406,GGA+U,P-1,A7B5C12_aP24_2_a3i_d2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a6i_d3i_12i:Li-Mn-O, expected Li13Mn7O24 to be Li7Mn5O12" +mp-1175339,Li7Mn5O12,-7.0286082846,-2.0897415737,0.0808859202,0.0808859202,GGA+U,P-1,A7B5C12_aP24_2_abe2i_h2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_abe4i_h3i_12i:Li-Mn-O, expected Li11Mn7O24 to be Li7Mn5O12" +mp-1175340,Li7Mn5O12,-7.0577541521,-2.1188874412,0.0517400527,0.0517400527,GGA+U,P-1,A7B5C12_aP24_2_acf2i_h2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acf3i_h3i_12i:Li-Mn-O, expected Li9Mn7O24 to be Li7Mn5O12" +mp-1175343,Li7Mn5O12,-7.0767957908,-2.1379290799,0.032698414,0.032698414,GGA+U,P-1,A7B5C12_aP24_2_bcd2i_h2i_6i:Li-Mn-O,48.0,A7B5C12_aP24_2_bcd2i_h2i_6i:Li-Mn-O +mp-1175344,Li7Mn5O12,-7.0614426079,-2.122575897,0.0480515969,0.0480515969,GGA+U,P-1,A7B5C12_aP24_2_b3i_c2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_b4i_c3i_12i:Li-Mn-O, expected Li9Mn7O24 to be Li7Mn5O12" +mp-1175349,Li7Mn5O12,-7.0855017104,-2.1466349995,0.0239924944,0.0239924944,GGA+U,P-1,A7B5C12_aP24_2_b3i_e2i_6i:Li-Mn-O,24.0,A7B5C12_aP24_2_b3i_e2i_6i:Li-Mn-O +mp-1175351,Li7Mn5O12,-7.0572466423,-2.1183799314,0.0522475625,0.0522475625,GGA+U,P-1,A7B5C12_aP24_2_acf2i_h2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acf2i_2h4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175373,Li7Mn5O12,-7.0593177679,-2.120451057,0.0501764369,0.0501764369,GGA+U,P-1,A7B5C12_aP24_2_a3i_b2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a5i_b2i_12i:Li-Mn-O, expected Li11Mn5O24 to be Li7Mn5O12" +mp-1232439,Li7Mn5O12,-7.0768325804,-2.1379658695,0.0326616244,0.0326616244,GGA+U,P-1,A7B5C12_aP24_2_acd2i_e2i_6i:Li-Mn-O,24.0,A7B5C12_aP24_2_acd2i_e2i_6i:Li-Mn-O +mp-1346728,Li7Mn5O12,-5.086911385,-0.1480446741,2.0225828198,2.0225828198,GGA+U,P-1,A7B5C12_aP24_2_acd2i_e2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_acd4i_e3i_12i:Li-Mn-O, expected Li11Mn7O24 to be Li7Mn5O12" +mp-1651187,Li7Mn5O12,-7.0796460277,-2.1407793168,0.0298481771,0.0298481771,GGA+U,P-1,A7B5C12_aP48_2_7i_bc4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_13i_bc8i_24i:Li-Mn-O, expected Li13Mn9O24 to be Li7Mn5O12" +mp-1651001,Li7Mn5O12,-7.0795379298,-2.1406712189,0.029956275,0.029956275,GGA+U,P-1,A7B5C12_aP48_2_abcdgh4i_ef4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_abcdgh6i_ef6i_20i:Li-Mn-O, expected Li9Mn7O20 to be Li7Mn5O12" +mp-1639032,Li7Mn5O12,-7.080672245,-2.1418055341,0.0288219598,0.0288219598,GGA+U,P-1,A7B5C12_aP48_2_bc6i_ef4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_bc10i_ef6i_20i:Li-Mn-O, expected Li11Mn7O20 to be Li7Mn5O12" +mp-1651541,Li7Mn5O12,-7.0761817467,-2.1373150357,0.0333124581,0.0333124581,GGA+U,P-1,A7B5C12_aP48_2_af6i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af9i_bd8i_20i:Li-Mn-O, expected Li10Mn9O20 to be Li7Mn5O12" +mp-1644153,Li7Mn5O12,-7.0815137631,-2.1426470522,0.0279804417,0.0279804417,GGA+U,P-1,A7B5C12_aP48_2_7i_be4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_11i_be8i_20i:Li-Mn-O, expected Li11Mn9O20 to be Li7Mn5O12" +mp-1643648,Li7Mn5O12,-7.0800532094,-2.1411864985,0.0294409954,0.0294409954,GGA+U,P-1,A7B5C12_aP48_2_7i_bc4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_11i_bc7i_23i:Li-Mn-O, expected Li11Mn8O23 to be Li7Mn5O12" +mp-1642906,Li7Mn5O12,-7.0800511108,-2.1411843999,0.029443094,0.029443094,GGA+U,P-1,A7B5C12_aP48_2_af6i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af11i_bd8i_22i:Li-Mn-O, expected Li12Mn9O22 to be Li7Mn5O12" +mp-1650669,Li7Mn5O12,-7.0743824848,-2.1355157739,0.03511172,0.03511172,GGA+U,P-1,A7B5C12_aP48_2_af6i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af8i_bd7i_18i:Li-Mn-O, expected Li9Mn8O18 to be Li7Mn5O12" +mp-1643948,Li7Mn5O12,-7.0803548319,-2.141488121,0.0291393729,0.0291393729,GGA+U,P-1,A7B5C12_aP48_2_af6i_ch4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af9i_ch6i_21i:Li-Mn-O, expected Li10Mn7O21 to be Li7Mn5O12" +mp-1648171,Li7Mn5O12,-7.0800868819,-2.141220171,0.0294073229,0.0294073229,GGA+U,P-1,A7B5C12_aP48_2_be6i_5i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_be11i_7i_19i:Li-Mn-O, expected Li12Mn7O19 to be Li7Mn5O12" +mp-1648875,Li7Mn5O12,-7.0806572377,-2.1417905268,0.0288369671,0.0288369671,GGA+U,P-1,A7B5C12_aP48_2_af6i_ch4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af10i_ch8i_22i:Li-Mn-O, expected Li11Mn9O22 to be Li7Mn5O12" +mp-1642624,Li7Mn5O12,-7.0773867698,-2.1385200589,0.032107435,0.032107435,GGA+U,P-1,A7B5C12_aP48_2_7i_be4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_10i_be6i_18i:Li-Mn-O, expected Li10Mn7O18 to be Li7Mn5O12" +mp-1650854,Li7Mn5O12,-7.0785903335,-2.1397236226,0.0309038713,0.0309038713,GGA+U,P-1,A7B5C12_aP48_2_7i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_13i_bd8i_24i:Li-Mn-O, expected Li13Mn9O24 to be Li7Mn5O12" +mp-1646544,Li7Mn5O12,-7.080898964,-2.142032253,0.0285952408,0.0285952408,GGA+U,P-1,A7B5C12_aP48_2_7i_be4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_12i_be8i_21i:Li-Mn-O, expected Li4Mn3O7 to be Li7Mn5O12" +mp-1652638,Li7Mn5O12,-7.078466706,-2.1395999951,0.0310274988,0.0310274988,GGA+U,P-1,A7B5C12_aP48_2_7i_5i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_13i_9i_24i:Li-Mn-O, expected Li13Mn9O24 to be Li7Mn5O12" +mp-1640196,Li7Mn5O12,-7.0763246265,-2.1374579155,0.0331695783,0.0331695783,GGA+U,P-1,A7B5C12_aP48_2_abcefh4i_dg4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_abcefh8i_dg8i_21i:Li-Mn-O, expected Li11Mn9O21 to be Li7Mn5O12" +mp-1646634,Li7Mn5O12,-7.0779299854,-2.1390632745,0.0315642194,0.0315642194,GGA+U,P-1,A7B5C12_aP48_2_be6i_cf4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_be12i_cf8i_24i:Li-Mn-O, expected Li13Mn9O24 to be Li7Mn5O12" +mp-1646892,Li7Mn5O12,-7.0793917927,-2.1405250818,0.0301024121,0.0301024121,GGA+U,P-1,A7B5C12_aP48_2_7i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_10i_bd6i_18i:Li-Mn-O, expected Li10Mn7O18 to be Li7Mn5O12" +mp-1639283,Li7Mn5O12,-7.0781421852,-2.1392754743,0.0313520196,0.0313520196,GGA+U,P-1,A7B5C12_aP48_2_bd6i_ch4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_bd10i_ch8i_24i:Li-Mn-O, expected Li11Mn9O24 to be Li7Mn5O12" +mp-1643099,Li7Mn5O12,-7.0822651104,-2.1433983995,0.0272290944,0.0272290944,GGA+U,P-1,A7B5C12_aP48_2_abdf5i_5i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_ab2d9i_10i_24i:Li-Mn-O, expected Li11Mn10O24 to be Li7Mn5O12" +mp-1644867,Li7Mn5O12,-7.0803422308,-2.1414755199,0.029151974,0.029151974,GGA+U,P-1,A7B5C12_aP48_2_abcg5i_5i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_2a2c8i_8i_20i:Li-Mn-O, expected Li5Mn4O10 to be Li7Mn5O12" +mp-1641274,Li7Mn5O12,-7.0750073367,-2.1361406257,0.0344868681,0.0344868681,GGA+U,P-1,A7B5C12_aP48_2_abcefh4i_dg4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_abcefh8i_dg8i_24i:Li-Mn-O, expected Li11Mn9O24 to be Li7Mn5O12" +mp-1667148,Li7Mn5O12,-7.0757374567,-2.1368707457,0.0337567481,0.0337567481,GGA+U,P-1,A7B5C12_aP48_2_be6i_cf4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_be9i_cf7i_22i:Li-Mn-O, expected Li5Mn4O11 to be Li7Mn5O12" +mp-1666768,Li7Mn5O12,-7.0788827571,-2.1400160462,0.0306114477,0.0306114477,GGA+U,P-1,A7B5C12_aP48_2_af6i_bd4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af11i_bd8i_22i:Li-Mn-O, expected Li12Mn9O22 to be Li7Mn5O12" +mp-1666644,Li7Mn5O12,-7.0807312267,-2.1418645157,0.0287629781,0.0287629781,GGA+U,P-1,A7B5C12_aP48_2_ah6i_cf4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_ah11i_cf8i_22i:Li-Mn-O, expected Li12Mn9O22 to be Li7Mn5O12" +mp-1666665,Li7Mn5O12,-7.0792554881,-2.1403887772,0.0302387167,0.0302387167,GGA+U,P-1,A7B5C12_aP48_2_ah6i_be4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_ah9i_be7i_23i:Li-Mn-O, expected Li10Mn8O23 to be Li7Mn5O12" +mp-1666672,Li7Mn5O12,-7.0768807242,-2.1380140132,0.0326134806,0.0326134806,GGA+U,P-1,A7B5C12_aP48_2_af6i_ch4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_af8i_ch6i_18i:Li-Mn-O, expected Li9Mn7O18 to be Li7Mn5O12" +mp-1978357,Li7Mn5O12,-7.0751391781,-2.1362724672,0.0343550267,0.0343550267,GGA+U,P-1,A7B5C12_aP48_2_abcdfh4i_eg4i_12i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_aP48_2_abcdfh8i_eg4i_22i:Li-Mn-O, expected Li11Mn5O22 to be Li7Mn5O12" +mp-756600,Li7Mn5O12,-7.0879136125,-2.1490469016,0.0215805923,0.0215805923,GGA+U,C2,A7B5C12_mC48_5_2ab2c_a2bc_6c:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_5_2ab4c_a2bc_6c:Li-Mn-O, expected Li11Mn5O12 to be Li7Mn5O12" +mp-1175357,Li7Mn5O12,-7.0630974352,-2.1242307243,0.0463967696,0.0463967696,GGA+U,P2/m,A7B5C12_mP24_10_acemn_hmn_3m3n:Li-Mn-O,48.0,A7B5C12_mP24_10_acemn_hmn_3m3n:Li-Mn-O +mp-1175358,Li7Mn5O12,-7.0312830638,-2.0924163528,0.078211141,0.078211141,GGA+U,P2/m,A7B5C12_mP24_10_acemn_hmn_3m3n:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mP24_10_acemn_hm2n_6m6n:Li-Mn-O, expected Li7Mn7O24 to be Li7Mn5O12" +mp-1175363,Li7Mn5O12,-7.0837304129,-2.144863702,0.0257637919,0.0257637919,GGA+U,P2/m,A7B5C12_mP24_10_bcdik_hjl_mn2o:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_mP24_10_acejk_2h2i2l_mn2o:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175366,Li7Mn5O12,-7.03905539,-2.1001886791,0.0704388148,0.0704388148,GGA+U,P2/m,A7B5C12_mP24_10_bcemn_gmn_3m3n:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mP24_10_bcd2m2n_h2mn_6m6n:Li-Mn-O, expected Li11Mn7O24 to be Li7Mn5O12" +mp-1175368,Li7Mn5O12,-7.0416118896,-2.1027451787,0.0678823152,0.0678823152,GGA+U,P2/m,A7B5C12_mP24_10_bcemn_gmn_3m3n:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mP24_10_bcdmn_hmn_6m6n:Li-Mn-O, expected Li7Mn5O24 to be Li7Mn5O12" +mp-1175385,Li7Mn5O12,-7.0390163283,-2.1001496174,0.0704778765,0.0704778765,GGA+U,P2/m,A7B5C12_mP24_10_acemn_hmn_3m3n:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mP24_10_ace2m2n_h2mn_6m6n:Li-Mn-O, expected Li11Mn7O24 to be Li7Mn5O12" +mp-764764,Li7Mn5O12,-7.095963329,-2.157096618,0.0135308758,0.0135308758,GGA+U,C2/m,A7B5C12_mC48_12_aij_dgh_2i2j:Li-Mn-O,48.0,A7B5C12_mC48_12_aij_cgh_2i2j:Li-Mn-O +mp-1175347,Li7Mn5O12,-7.0672168015,-2.1283500905,0.0422774033,0.0422774033,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a3i_2d4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175354,Li7Mn5O12,-7.0872139898,-2.1483472789,0.022280215,0.022280215,GGA+U,C2/m,A7B5C12_mC48_12_aij_dgh_2i2j:Li-Mn-O,48.0,A7B5C12_mC48_12_aij_dgh_2i2j:Li-Mn-O +mp-1175359,Li7Mn5O12,-7.0655495581,-2.1266828472,0.0439446467,0.0439446467,GGA+U,C2/m,A7B5C12_mC48_12_a3i_d2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a3i_2c4i_6i:Li-Mn-O, expected Li7Mn10O12 to be Li7Mn5O12" +mp-1175360,Li7Mn5O12,-7.0356952967,-2.0968285857,0.0737989081,0.0737989081,GGA+U,C2/m,A7B5C12_mC48_12_a3i_d2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a5i_c3i_11i:Li-Mn-O, expected Li11Mn7O22 to be Li7Mn5O12" +mp-1175362,Li7Mn5O12,-7.0641714917,-2.1253047807,0.0453227131,0.0453227131,GGA+U,C2/m,A7B5C12_mC48_12_a3i_d2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a4i_c3i_12i:Li-Mn-O, expected Li9Mn7O24 to be Li7Mn5O12" +mp-1175365,Li7Mn5O12,-7.0643644454,-2.1254977345,0.0451297594,0.0451297594,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,24.0,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O +mp-1175375,Li7Mn5O12,-7.0569751063,-2.1181083953,0.0525190985,0.0525190985,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,48.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a3i_d4i_6i:Li-Mn-O, expected Li7Mn9O12 to be Li7Mn5O12" +mp-1175378,Li7Mn5O12,-7.0448682488,-2.1060015378,0.064625956,0.064625956,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a4i_d3i_12i:Li-Mn-O, expected Li9Mn7O24 to be Li7Mn5O12" +mp-1175581,Li7Mn5O12,-6.9558594096,-2.0169926987,0.1536347952,0.1536347952,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_12_a4i_c3i_12i:Li-Mn-O, expected Li9Mn7O24 to be Li7Mn5O12" +mp-1638910,Li7Mn5O12,-7.0688884038,-2.1300216928,0.040605801,0.040605801,GGA+U,C2/m,A7B5C12_mC48_12_a3i_c2i_6i:Li-Mn-O,48.0,A7B5C12_mC48_12_a3i_d2i_6i:Li-Mn-O +mp-1175490,Li7Mn5O12,-6.898054475,-1.9591877641,0.2114397298,0.2114397298,GGA+U,P-3m1,A7B5C12_hP24_164_ac2d_b2d_2c4d:Li-Mn-O,24.0,"Invalid WP multiplicities - A7B5C12_hP24_164_a2c3d_b3d_4c7d:Li-Mn-O, expected Li11Mn7O22 to be Li7Mn5O12" +mp-1016165,LiMn8O16,-8.04170975,-1.8676271667,0.0142261787,0.0142261787,GGA+U,Pc,AB8C16_mP50_7_a_8a_16a:Li-Mn-O,50.0,"Invalid WP multiplicities - AB8C16_mP50_7_a_16a_32a:Li-Mn-O, expected LiMn16O32 to be LiMn8O16" +mp-36240,LiMn8O16,-8.0201885874,-1.8461060041,0.0357473413,0.0357473413,GGA+U,Pmmn,AB8C16_oP50_59_a_c2ef_4e2fg:Li-Mn-O,50.0,"Invalid WP multiplicities - AB8C16_oP50_59_a_4c4e6f_8e12f8g:Li-Mn-O, expected LiMn28O72 to be LiMn8O16" +mp-1222484,LiMn8O16,-8.0169509496,-1.8428683663,0.0389849791,0.0389849791,GGA+U,P-4m2,AB8C16_tP25_115_a_jk_2j2k:Li-Mn-O,25.0,"Invalid WP multiplicities - AB8C16_tP25_115_a_3j4k_7j8k:Li-Mn-O, expected LiMn28O60 to be LiMn8O16" +mp-754219,Li3MnO3,-6.2957177464,-2.0487391713,0.0695594686,0.0695594686,GGA+U,P2_1/c,A3BC3_mP28_14_3e_e_3e:Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_11e_e_9e:Li-Mn-O, expected Li11MnO9 to be Li3MnO3" +mp-756408,Li3MnO3,-6.3484986279,-2.1015200527,0.0167785871,0.0167785871,GGA+U,P4_2/mnm,A3BC3_tP28_136_fi_f_gi:Li-Mn-O,28.0,A3BC3_tP28_136_fi_f_gi:Li-Mn-O +mp-770556,Li3MnO3,-6.2949053827,-2.0479268076,0.0703718323,0.0703718323,GGA+U,P321,A3BC3_hP84_150_6g_ade2f_6g:Li-Mn-O,84.0,"Invalid WP multiplicities - A3BC3_hP84_150_32g_a2d2e5f_28g:Li-Mn-O, expected Li96Mn13O84 to be Li3MnO3" +mp-34461,Li7Mn11O24,-7.5716108131,-2.0272023048,0.0410716306,0.0410716306,GGA+U,P-1,A7B11C24_aP42_2_c3i_abf4i_12i:Li-Mn-O,42.0,"Invalid WP multiplicities - A7B11C24_aP42_2_c5i_abf8i_22i:Li-Mn-O, expected Li11Mn19O44 to be Li7Mn11O24" +mp-690435,Li7Mn11O24,-7.5717141702,-2.0273056619,0.0409682735,0.0409682735,GGA+U,C2,A7B11C24_mC84_5_a3c_b5c_12c:Li-Mn-O,42.0,"Invalid WP multiplicities - A7B11C24_mC84_5_a5c_b10c_23c:Li-Mn-O, expected Li11Mn21O46 to be Li7Mn11O24" +mp-765632,Li7Mn11O24,-7.533518344,-1.9891098357,0.0791640996,0.0791640996,GGA+U,C2/m,A7B11C24_mC84_12_a3i_ce2ij_6i3j:Li-Mn-O,42.0,"Invalid WP multiplicities - A7B11C24_mC84_12_c4i_b2e4i3j_11i9j:Li-Mn-O, expected Li9Mn25O58 to be Li7Mn11O24" +mp-685293,Li7Mn11O24,-7.5890940786,-2.0446855703,0.0235883651,0.0235883651,GGA+U,C2/m,A7B11C24_mC252_12_c10i_be7i4j_18i9j:Li-Mn-O,126.0,"Invalid WP multiplicities - A7B11C24_mC252_12_a20i_c2e14i14j_35i30j:Li-Mn-O, expected Li41Mn89O190 to be Li7Mn11O24" +mp-675260,Li7Mn11O24,-7.528819879,-1.9844113707,0.0838625646,0.0838625646,GGA+U,C2/m,A7B11C24_mC84_12_c3i_ae2ij_6i3j:Li-Mn-O,42.0,"Invalid WP multiplicities - A7B11C24_mC84_12_a5i_d2e4i4j_11i11j:Li-Mn-O, expected Li11Mn29O66 to be Li7Mn11O24" +mp-776365,Li9Mn21O40,-7.882613737,-2.0618969458,0.0051667117,0.0051667117,GGA+U,P1,A9B21C40_aP70_1_9a_21a_40a:Li-Mn-O,70.0,A9B21C40_aP70_1_9a_21a_40a:Li-Mn-O +mp-1177178,Li9Mn21O40,-7.865700493,-2.0449837018,0.0220799557,0.0220799557,GGA+U,F222,A9B21C40_oF280_22_a2e2j_c5k_10k:Li-Mn-O,70.0,"Invalid WP multiplicities - A9B21C40_oF280_22_a3e4j_c15k_39k:Li-Mn-O, expected Li15Mn61O156 to be Li9Mn21O40" +mp-530725,Li9Mn21O40,-7.7935250981,-1.972808307,0.0942553506,0.0942553506,GGA+U,I-4,A9B21C40_tI140_82_a2g_c5g_10g:Li-Mn-O,70.0,"Invalid WP multiplicities - A9B21C40_tI140_82_a5g_c17g_35g:Li-Mn-O, expected Li21Mn69O140 to be Li9Mn21O40" +mp-763609,Li4Mn5O10,-7.4793846942,-2.0629291658,0.0700676963,0.0700676963,GGA+U,P1,A4B5C10_aP19_1_4a_5a_10a:Li-Mn-O,19.0,A4B5C10_aP19_1_4a_5a_10a:Li-Mn-O +mp-757628,Li4Mn5O10,-7.49205997,-2.0756044416,0.0573924205,0.0573924205,GGA+U,P-1,A4B5C10_aP38_2_4i_ae4i_10i:Li-Mn-O,38.0,"Invalid WP multiplicities - A4B5C10_aP38_2_6i_ae4i_18i:Li-Mn-O, expected Li6Mn5O18 to be Li4Mn5O10" +mp-766830,Li9Mn14O32,-7.5420743882,-2.0194824127,0.0149064491,0.0149064491,GGA+U,Cm,A9B14C32_mC110_8_9a_6a4b_16a8b:Li-Mn-O,55.0,"Invalid WP multiplicities - A9B14C32_mC110_8_9a_6a6b_16a14b:Li-Mn-O, expected Li9Mn18O44 to be Li9Mn14O32" +mp-756298,Li2Mn2O3,-7.2410291243,-1.9578944884,0.0593692745,0.0593692745,GGA+U,P2_1/c,A2B2C3_mP14_14_e_e_ae:Li-Mn-O,14.0,A2B2C3_mP14_14_e_e_ae:Li-Mn-O +mp-758315,Li4Mn7O12,-7.77330205,-2.071994961,0.0552246752,0.0552246752,GGA+U,P1,A4B7C12_aP69_1_12a_21a_36a:Li-Mn-O,69.0,A4B7C12_aP69_1_12a_21a_36a:Li-Mn-O +mp-1177687,Li3Mn7O12,-7.9063828744,-2.0326946844,0.0674504052,0.0674504052,GGA+U,P1,A3B7C12_aP66_1_9a_21a_36a:Li-Mn-O,66.0,A3B7C12_aP66_1_9a_21a_36a:Li-Mn-O +mp-775739,LiMn28O56,-8.0768292668,-1.7773008095,0.0514876822,0.0514876822,GGA+U,R3,AB28C56_hR255_146_a_a9b_2a18b:Li-Mn-O,85.0,"Invalid WP multiplicities - AB28C56_hR255_146_a_a26b_2a50b:Li-Mn-O, expected LiMn79O152 to be LiMn28O56" +mp-554354,Mn(RhO2)2,-7.617573715,-1.3779471611,0.0027951698,0.0027951698,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-O-Rh,14.0,AB4C2_cF56_227_a_e_d:Mn-O-Rh +mp-1096544,LiMnRh2,-3.9366160675,2.5132724072,2.6969343375,2.6969343375,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mn-Rh,4.0,ABC2_oI8_71_a_b_e:Li-Mn-Rh +mp-705961,Li5Mn12O24,-7.8210331681,-2.011049585,0.0248212624,0.0248212624,GGA+U,Cm,A5B12C24_mC246_8_15a_18a9b_36a18b:Li-Mn-O,123.0,"Invalid WP multiplicities - A5B12C24_mC246_8_15a_18a17b_36a36b:Li-Mn-O, expected Li15Mn52O108 to be Li5Mn12O24" +mp-754245,Li3MnO4,-6.315493925,-1.9810515829,0.0672116706,0.0672116706,GGA+U,Cmmm,A3BC4_oC16_65_af_b_gj:Li-Mn-O,8.0,"Invalid WP multiplicities - A3BC4_oC16_65_a2f_b_2g2j:Li-Mn-O, expected Li5MnO8 to be Li3MnO4" +mp-764778,Li3MnO4,-6.3164945175,-1.9820521754,0.0662110781,0.0662110781,GGA+U,I-43m,A3BC4_cI64_217_g_c_cg:Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC4_cI64_217_g_c_4c3g:Li-Mn-O, expected Li3MnO13 to be Li3MnO4" +mp-770104,LiMn4O8,-7.8713790677,-1.8613410889,0.0899047574,0.0899047574,GGA+U,C2,AB4C8_mC26_5_a_2c_4c:Li-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_5_a_3c_7c:Li-Mn-O, expected LiMn6O14 to be LiMn4O8" +mp-1281247,LiMn4O8,-7.9381419815,-1.9281040027,0.0231418436,0.0231418436,GGA+U,Cm,AB4C8_mC26_8_a_2ab_4a2b:Li-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_8_a_2a2b_4a3b:Li-Mn-O, expected LiMn6O10 to be LiMn4O8" +mp-769702,LiMn4O8,-7.9312706777,-1.9212326989,0.0300131474,0.0300131474,GGA+U,C2/m,AB4C8_mC26_12_c_abe_2ij:Li-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_c_ab2e_4i3j:Li-Mn-O, expected LiMn6O20 to be LiMn4O8" +mp-752921,LiMn4O8,-7.9250814546,-1.9150434758,0.0362023705,0.0362023705,GGA+U,C2/m,AB4C8_mC26_12_b_ace_2ij:Li-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_bcf_4i3j:Li-Mn-O, expected LiMn4O20 to be LiMn4O8" +mp-35530,LiMn4O8,-7.9195515023,-1.9095135235,0.0417323228,0.0417323228,GGA+U,F-43m,AB4C8_cF52_216_a_e_2e:Li-Mn-O,13.0,AB4C8_cF52_216_a_e_2e:Li-Mn-O +mp-1003315,LiMn4O8,-7.9339748829,-1.923936904,0.0273089422,0.0273089422,GGA+U,P2_1/c,AB4C8_mP52_14_e_4e_8e:Li-Mn-O,52.0,"Invalid WP multiplicities - AB4C8_mP52_14_e_14e_30e:Li-Mn-O, expected LiMn14O30 to be LiMn4O8" +mp-1004762,LiMn4O8,-7.9227241208,-1.9126861419,0.0385597043,0.0385597043,GGA+U,Cmc2_1,AB4C8_oC52_36_a_2ab_4a2b:Li-Mn-O,26.0,"Invalid WP multiplicities - AB4C8_oC52_36_a_3a2b_8a3b:Li-Mn-O, expected LiMn7O14 to be LiMn4O8" +mp-1232984,LiMn4O8,-7.5220099577,-1.5119719789,0.4392738674,0.4392738674,GGA+U,I-4m2,AB4C8_tI26_119_a_i_2i:Li-Mn-O,13.0,AB4C8_tI26_119_a_i_2i:Li-Mn-O +mp-754130,LiMn4O8,-7.8822757131,-1.8722377342,0.079008112,0.079008112,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Li-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_c_ab2f_4i3j:Li-Mn-O, expected LiMn6O20 to be LiMn4O8" +mp-1195443,LiMn4O8,-7.9230125794,-1.9129746006,0.0382712457,0.0382712457,GGA+U,P2_13,AB4C8_cP52_198_a_ab_2a2b:Li-Mn-O,52.0,AB4C8_cP52_198_a_ab_2a2b:Li-Mn-O +mp-758698,Li13Mn8O24,-6.8335219364,-2.0150186326,0.0642416709,0.0642416709,GGA+U,P-1,A13B8C24_aP45_2_a6i_4i_12i:Li-Mn-O,45.0,"Invalid WP multiplicities - A13B8C24_aP45_2_a11i_4i_22i:Li-Mn-O, expected Li23Mn8O44 to be Li13Mn8O24" +mp-758228,Li13Mn8O24,-6.8354819922,-2.0169786884,0.0622816152,0.0622816152,GGA+U,C2,A13B8C24_mC90_5_2a3b4c_4c_12c:Li-Mn-O,45.0,"Invalid WP multiplicities - A13B8C24_mC90_5_2a3b8c_8c_20c:Li-Mn-O, expected Li21Mn16O40 to be Li13Mn8O24" +mp-758586,Li13Mn8O24,-6.8293240391,-2.0108207353,0.0684395683,0.0684395683,GGA+U,P2/m,A13B8C24_mP45_10_amn2o_ijkl_2m2n4o:Li-Mn-O,45.0,"Invalid WP multiplicities - A13B8C24_mP45_10_a2m2n8o_ijkl_4m4n8o:Li-Mn-O, expected Li41Mn8O48 to be Li13Mn8O24" +mp-758809,Li5Mn6O16,-7.1833207248,-1.8624420039,0.0837704616,0.0837704616,GGA+U,R-3m,A5B6C16_hR81_166_a2c_h_2c2h:Li-Mn-O,27.0,"Invalid WP multiplicities - A5B6C16_hR81_166_a4c_h_4c7h:Li-Mn-O, expected Li9Mn6O50 to be Li5Mn6O16" +mp-779008,Li4Mn3O8,-7.0750878027,-2.0954046671,0.0264942993,0.0264942993,GGA+U,R32,A4B3C8_hR180_155_ae2f_def_c5f:Li-Mn-O,60.0,"Invalid WP multiplicities - A4B3C8_hR180_155_a2e6f_2d2ef_c15f:Li-Mn-O, expected Li43Mn18O92 to be Li4Mn3O8" +mp-771777,Li4Mn3O8,-7.0630386847,-2.0833555491,0.0385434173,0.0385434173,GGA+U,R-3m,A4B3C8_hR45_166_abc_d_ch:Li-Mn-O,15.0,"Invalid WP multiplicities - A4B3C8_hR45_166_ab2c_d_2c2h:Li-Mn-O, expected Li6Mn3O16 to be Li4Mn3O8" +mp-758791,Li5Mn5O12,-7.2505795341,-2.0362633828,0.0729105313,0.0729105313,GGA+U,P1,A5B5C12_aP44_1_10a_10a_24a:Li-Mn-O,44.0,A5B5C12_aP44_1_10a_10a_24a:Li-Mn-O +mp-758752,Li5Mn5O12,-7.2387765527,-2.0244604014,0.0847135127,0.0847135127,GGA+U,P1,A5B5C12_aP44_1_10a_10a_24a:Li-Mn-O,44.0,A5B5C12_aP44_1_10a_10a_24a:Li-Mn-O +mp-771669,Li5Mn5O12,-7.2597091068,-2.0453929555,0.0637809586,0.0637809586,GGA+U,P-1,A5B5C12_aP22_2_b2i_d2i_6i:Li-Mn-O,22.0,"Invalid WP multiplicities - A5B5C12_aP22_2_b4i_d3i_11i:Li-Mn-O, expected Li9Mn7O22 to be Li5Mn5O12" +mp-1291590,LiMn3O4,-8.1946408937,-2.0469254453,0.0232551819,0.0232551819,GGA+U,P-1,AB3C4_aP16_2_i_abcgi_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4_aP16_2_i_3abi_6i:Li-Mn-O, expected LiMn3O6 to be LiMn3O4" +mp-1274324,LiMn3O4,-8.1830222675,-2.035306819,0.0348738081,0.0348738081,GGA+U,C2,AB3C4_mC16_5_a_ac_2ac:Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4_mC16_12_a_2b2e_gi:Li-Mn-O, expected LiMn6O4 to be LiMn3O4" +mp-1277859,LiMn3O4,-8.191931015,-2.0442155665,0.0259650606,0.0259650606,GGA+U,Cm,AB3C4_mC16_8_a_ab_2ab:Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4_mC16_8_a_2a2b_2ab:Li-Mn-O, expected LiMn6O4 to be LiMn3O4" +mp-1284451,LiMn3O4,-8.195644705,-2.0479292565,0.0222513706,0.0222513706,GGA+U,P2/m,AB3C4_mP16_10_af_bco_ikmn:Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4_mP16_10_ah_bgo_2ilm2n:Li-Mn-O, expected LiMn3O6 to be LiMn3O4" +mp-34650,LiMn3O4,-8.1974320312,-2.0497165828,0.0204640444,0.0204640444,GGA+U,C2/m,AB3C4_mC32_12_ac_bdj_gh2i:Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4_mC32_12_ad_bcj_2g2h4i:Li-Mn-O, expected LiMn3O8 to be LiMn3O4" +mp-1291001,Li4MnO3,-5.9228846956000005,-1.9681630841,0.0771571435,0.0771571435,GGA+U,P1,A4BC3_aP16_1_8a_2a_6a:Li-Mn-O,32.0,A4BC3_mC32_9_4a_a_3a:Li-Mn-O +mp-755396,Li4MnO3,-5.9242470581,-1.9695254466,0.075794781,0.075794781,GGA+U,Cc,A4BC3_mC32_9_4a_a_3a:Li-Mn-O,32.0,A4BC3_mC32_9_4a_a_3a:Li-Mn-O +mp-705636,Li3Mn10O20,-7.8518127126,-1.9039128415,0.073618043,0.073618043,GGA+U,Cm,A3B10C20_mC132_8_6a_10a5b_20a10b:Li-Mn-O,66.0,"Invalid WP multiplicities - A3B10C20_mC132_8_6a_10a10b_20a20b:Li-Mn-O, expected LiMn5O10 to be Li3Mn10O20" +mp-685233,Li3Mn10O20,-7.64747879,-1.6995789189,0.2779519656,0.2779519656,GGA+U,Cm,A3B10C20_mC132_8_6a_10a5b_20a10b:Li-Mn-O,66.0,"Invalid WP multiplicities - A3B10C20_mC132_8_6a_10a10b_20a20b:Li-Mn-O, expected LiMn5O10 to be Li3Mn10O20" +mp-779788,LiMnO2,-7.3583331785,-2.1172542832,0.0432518277,0.0147789107,GGA+U,P1,ABC2_aP48_1_12a_12a_24a:Li-Mn-O,48.0,"Invalid WP multiplicities - ABC2_mC96_5_ab7c_ab9c_18c:Li-Mn-O, expected Li4Mn5O9 to be LiMnO2" +mp-1311873,LiMnO2,-7.3516196072,-2.1105407119,0.0499653991,0.0214924821,GGA+U,P1,ABC2_aP32_1_8a_8a_16a:Li-Mn-O,32.0,ABC2_aP32_1_8a_8a_16a:Li-Mn-O +mp-756747,LiMnO2,-7.3694995254,-2.1284206301,0.0320854808,0.0036125639,GGA+U,P-1,ABC2_aP24_2_3i_3i_6i:Li-Mn-O,24.0,"Invalid WP multiplicities - ABC2_aP24_2_5i_5i_12i:Li-Mn-O, expected Li5Mn5O12 to be LiMnO2" +mp-756475,LiMnO2,-7.351773137,-2.1106942417,0.0498118693,0.0213389523,GGA+U,P-1,ABC2_aP20_2_b2i_c2i_5i:Li-Mn-O,40.0,"Invalid WP multiplicities - ABC2_aP20_2_b2i_2c4i_5i:Li-Mn-O, expected LiMn2O2 to be LiMnO2" +mp-1284778,LiMnO2,-7.3577037853,-2.11662489,0.0438812209,0.015408304,GGA+U,P-1,ABC2_aP32_2_ah3i_bcdefgi_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - ABC2_aP32_2_ah3i_bcdefgi_14i:Li-Mn-O, expected Li2Mn2O7 to be LiMnO2" +mp-1275540,LiMnO2,-7.3552215744,-2.1141426791,0.0463634319,0.0178905149,GGA+U,P-1,ABC2_aP32_2_acfh2i_bdeg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - ABC2_aP32_2_acfh2i_bdeg2i_16i:Li-Mn-O, expected LiMnO4 to be LiMnO2" +mp-1303262,LiMnO2,-7.3550535784,-2.1139746831,0.0465314278,0.0180585108,GGA+U,P-1,ABC2_aP32_2_ah3i_bcdefgi_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - ABC2_aP32_2_ah3i_bcdefgi_14i:Li-Mn-O, expected Li2Mn2O7 to be LiMnO2" +mp-531604,LiMnO2,-7.385259851,-2.1441809557,0.0163251553,-0.0121477617,GGA+U,Cm,ABC2_mC160_8_10a5b_10a5b_20a10b:Li-Mn-O,80.0,"Invalid WP multiplicities - ABC2_mC160_8_10a6b_10a5b_20a10b:Li-Mn-O, expected Li11Mn10O20 to be LiMnO2" +mp-25542,LiMnO2,-7.3796277862,-2.1385488909,0.02195722,-0.006515697,GGA+U,Cm,ABC2_mC8_8_a_a_2a:Li-Mn-O,8.0,ABC2_mC8_8_a_a_2a:Li-Mn-O +mp-755562,LiMnO2,-7.3660952025,-2.1250163072,0.0354898038,0.0070168868,GGA+U,Cc,ABC2_mC16_9_a_a_2a:Li-Mn-O,16.0,ABC2_mC16_9_a_a_2a:Li-Mn-O +mp-756516,LiMnO2,-7.3497992787,-2.1087203834,0.0517857275,0.0233128105,GGA+U,C2/m,ABC2_mC32_12_ade_bcf_2ij:Li-Mn-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_ace_bdf_4i2j:Li-Mn-O, expected LiMnO4 to be LiMnO2" +mp-754656,LiMnO2,-7.4015850063,-2.1605061109,0.0,-0.028472917,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Li-Mn-O,8.0,ABC2_mC8_12_a_c_i:Li-Mn-O +mp-35929,LiMnO2,-7.3393888363,-2.0983099409,0.06219617,0.033723253,GGA+U,C2/c,ABC2_mC32_15_ce_ad_2f:Li-Mn-O,16.0,ABC2_mC32_15_ae_bc_2f:Li-Mn-O +mp-2506805,LiMnO2,-7.37231408,-2.1312351847,0.0292709263,0.0007980093,GGA+U,C2/c,ABC2_mC16_15_e_c_f:Li-Mn-O,16.0,ABC2_mC16_15_e_c_f:Li-Mn-O +mp-675370,LiMnO2,-7.3862399496,-2.1451610543,0.0153450566,-0.0131278604,GGA+U,Pmm2,ABC2_oP56_25_ad3e3f_ad3e3f_2b2c6e6f:Li-Mn-O,56.0,"Invalid WP multiplicities - ABC2_oP56_25_ad5e6f_ad4e5f_2b2c12e12f:Li-Mn-O, expected Li6Mn5O13 to be LiMnO2" +mp-1002572,LiMnO2,-7.3590289744,-2.1179500791,0.0425560319,0.0140831149,GGA+U,Pnnm,ABC2_oP8_58_a_c_g:Li-Mn-O,16.0,ABC2_oP8_58_a_c_g:Li-Mn-O +mp-754881,LiMnO2,-7.3408962758,-2.0998173805,0.0606887304,0.0322158135,GGA+U,Pmmn,ABC2_oP24_59_ae_ae_2b2e:Li-Mn-O,24.0,"Invalid WP multiplicities - ABC2_oP24_59_a2e_2a2e_4b4e:Li-Mn-O, expected Li5Mn6O12 to be LiMnO2" +mp-18767,LiMnO2,-7.3863047712,-2.1452258759,0.015280235,-0.013192682,GGA+U,Pmmn,ABC2_oP8_59_a_a_2b:Li-Mn-O,8.0,"Invalid WP multiplicities - ABC2_oP8_59_a_a_3b:Li-Mn-O, expected LiMnO3 to be LiMnO2" +mp-1004373,LiMnO2,-7.3839560481,-2.1428771528,0.0176289581,-0.0108439588,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Li-Mn-O,16.0,ABC2_oP16_62_c_c_2c:Li-Mn-O +mp-1288099,LiMnO2,-7.3806864644,-2.1396075691,0.0208985419,-0.0075743751,GGA+U,Imma,ABC2_oI16_74_e_e_2e:Li-Mn-O,16.0,"Invalid WP multiplicities - ABC2_oI16_74_e_e_4e:Li-Mn-O, expected LiMnO4 to be LiMnO2" +mp-37620,LiMnO2,-7.387390625,-2.1463117297,0.0141943813,-0.0142785357,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Mn-O,8.0,ABC2_tI16_141_a_b_e:Li-Mn-O +mp-556415,LiMnO2,-7.3996402006,-2.1585613053,0.0019448056,-0.0265281113,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Li-Mn-O,16.0,ABC2_tI32_141_c_d_h:Li-Mn-O +mp-25222,LiMnO2,-7.1865246625,-1.9454457672,0.2150603438,0.1865874268,GGA+U,P3m1,ABC2_hP4_156_a_b_ac:Li-Mn-O,4.0,ABC2_hP4_156_a_b_ac:Li-Mn-O +mp-25373,LiMnO2,-7.303667185,-2.0625882897,0.0979178213,0.0694449043,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Li-Mn-O,4.0,ABC2_hR12_166_a_b_c:Li-Mn-O +mp-1176651,LiMn6O12,-7.9881210049,-1.8701589442,0.0354339409,0.0354339409,GGA+U,P1,AB6C12_aP57_1_3a_18a_36a:Li-Mn-O,57.0,AB6C12_aP57_1_3a_18a_36a:Li-Mn-O +mp-758753,LiMn6O12,-7.9844344686,-1.8664724079,0.0391204773,0.0391204773,GGA+U,C2,AB6C12_mC114_5_ac_9c_18c:Li-Mn-O,57.0,"Invalid WP multiplicities - AB6C12_mC114_5_ac_18c_36c:Li-Mn-O, expected LiMn12O24 to be LiMn6O12" +mp-1274955,Li5Mn4O8,-7.1046770853,-2.0596073681,0.0631696545,0.0631696545,GGA+U,P-1,A5B4C8_aP17_2_adfi_bceg_4i:Li-Mn-O,17.0,"Invalid WP multiplicities - A5B4C8_aP17_2_adfi_bceg_5i:Li-Mn-O, expected Li5Mn4O10 to be Li5Mn4O8" +mp-1293032,Li5Mn4O8,-7.1210620682,-2.0759923511,0.0467846716,0.0467846716,GGA+U,P-1,A5B4C8_aP34_2_ah4i_bcdefgi_8i:Li-Mn-O,34.0,"Invalid WP multiplicities - A5B4C8_aP34_2_ce6i_a2b2dei_16i:Li-Mn-O, expected Li7Mn4O16 to be Li5Mn4O8" +mp-1308491,Li5Mn4O8,-7.1028592865,-2.0577895693,0.0649874533,0.0649874533,GGA+U,P-1,A5B4C8_aP34_2_abcefh2i_dg3i_8i:Li-Mn-O,34.0,"Invalid WP multiplicities - A5B4C8_aP34_2_2a4d3i_ac3i_13i:Li-Mn-O, expected Li6Mn4O13 to be Li5Mn4O8" +mp-756461,Li5Mn4O8,-7.0969590868,-2.0518893696,0.070887653,0.070887653,GGA+U,C2/m,A5B4C8_mC34_12_bei_acf_2ij:Li-Mn-O,34.0,"Invalid WP multiplicities - A5B4C8_mC34_12_afi_b2ce_2ij:Li-Mn-O, expected Li5Mn5O8 to be Li5Mn4O8" +mp-754396,Li5Mn4O8,-7.1133124959,-2.0682427787,0.0545342439,0.0545342439,GGA+U,Cmc2_1,A5B4C8_oC68_36_3ab_2ab_4a2b:Li-Mn-O,34.0,"Invalid WP multiplicities - A5B4C8_oC68_36_5a3b_3ab_7a7b:Li-Mn-O, expected Li11Mn5O21 to be Li5Mn4O8" +mp-1177832,Li3Mn28O56,-8.0321020089,-1.8335070134,0.0379773376,0.0379773376,GGA+U,C2,A3B28C56_mC174_5_ac_14c_28c:Li-Mn-O,87.0,"Invalid WP multiplicities - A3B28C56_mC174_5_ac_26c_55c:Li-Mn-O, expected Li3Mn52O110 to be Li3Mn28O56" +mp-779719,Li6Mn5O12,-7.1730156407,-2.1024122409,0.0424800359,0.0424800359,GGA+U,P1,A6B5C12_aP46_1_12a_10a_24a:Li-Mn-O,46.0,A6B5C12_aP46_1_12a_10a_24a:Li-Mn-O +mp-764759,Li6Mn5O12,-7.16965547,-2.0990520702,0.0458402065,0.0458402065,GGA+U,C2,A6B5C12_mC46_5_2a2c_a2bc_6c:Li-Mn-O,23.0,"Invalid WP multiplicities - A6B5C12_mC46_5_2a4c_a2bc_11c:Li-Mn-O, expected Li10Mn5O22 to be Li6Mn5O12" +mp-780186,Li9Mn10O20,-7.4289772264,-2.1024584329,0.0446457363,0.0446457363,GGA+U,P1,A9B10C20_aP39_1_9a_10a_20a:Li-Mn-O,39.0,A9B10C20_aP39_1_9a_10a_20a:Li-Mn-O +mp-531365,Li3Mn8O16,-7.8444148141,-1.9862699875,0.0292281744,0.0292281744,GGA+U,Pmmn,A3B8C16_oP54_59_ae_c2ef_4e2fg:Li-Mn-O,54.0,"Invalid WP multiplicities - A3B8C16_oP54_59_2a2e_4c7e4f_16e8f7g:Li-Mn-O, expected Li3Mn15O38 to be Li3Mn8O16" +mp-1222562,Li3Mn8O16,-7.8330086889,-1.9748638623,0.0406342996,0.0406342996,GGA+U,P-4m2,A3B8C16_tP27_115_ag_jk_2j2k:Li-Mn-O,27.0,"Invalid WP multiplicities - A3B8C16_tP27_115_ag_3j3k_7j7k:Li-Mn-O, expected Li3Mn24O56 to be Li3Mn8O16" +mp-1174220,Li4Mn3O7,-7.1262224107,-2.1441825306,0.0249990514,0.0249990514,GGA+U,P-1,A4B3C7_aP28_2_ab3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ab6i_4i_14i:Li-Mn-O, expected Li7Mn4O14 to be Li4Mn3O7" +mp-1174244,Li4Mn3O7,-7.1253527418,-2.1433128617,0.0258687204,0.0258687204,GGA+U,P-1,A4B3C7_aP28_2_ab3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ab6i_4i_14i:Li-Mn-O, expected Li7Mn4O14 to be Li4Mn3O7" +mp-1174248,Li4Mn3O7,-7.12591325,-2.1438733699,0.0253082121,0.0253082121,GGA+U,P-1,A4B3C7_aP28_2_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ac6i_4i_14i:Li-Mn-O, expected Li7Mn4O14 to be Li4Mn3O7" +mp-1174275,Li4Mn3O7,-7.1184714254,-2.1364315452,0.0327500368,0.0327500368,GGA+U,P-1,A4B3C7_aP28_2_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ac3i_4i_14i:Li-Mn-O, expected Li2Mn2O7 to be Li4Mn3O7" +mp-1174283,Li4Mn3O7,-7.1045549471,-2.122515067,0.046666515,0.046666515,GGA+U,P-1,A4B3C7_aP28_2_bc3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bc5i_4i_13i:Li-Mn-O, expected Li6Mn4O13 to be Li4Mn3O7" +mp-1174285,Li4Mn3O7,-7.1235251518,-2.1414852717,0.0276963104,0.0276963104,GGA+U,P-1,A4B3C7_aP28_2_ab3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ab6i_4i_14i:Li-Mn-O, expected Li7Mn4O14 to be Li4Mn3O7" +mp-1174287,Li4Mn3O7,-7.1212822829,-2.1392424027,0.0299391793,0.0299391793,GGA+U,P-1,A4B3C7_aP28_2_bd3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bd5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174288,Li4Mn3O7,-7.1248369264,-2.1427970463,0.0263845357,0.0263845357,GGA+U,P-1,A4B3C7_aP28_2_bd3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bd5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174294,Li4Mn3O7,-7.1227930243,-2.1407531442,0.0284284379,0.0284284379,GGA+U,P-1,A4B3C7_aP28_2_bc3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bc5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174296,Li4Mn3O7,-7.1272222054,-2.1451823252,0.0239992568,0.0239992568,GGA+U,P-1,A4B3C7_aP28_2_bd3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bd5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174297,Li4Mn3O7,-7.1207916571,-2.138751777,0.030429805,0.030429805,GGA+U,P-1,A4B3C7_aP28_2_ae3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ae5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174308,Li4Mn3O7,-7.1223059625,-2.1402660824,0.0289154996,0.0289154996,GGA+U,P-1,A4B3C7_aP28_2_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ac5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174312,Li4Mn3O7,-7.1228484207,-2.1408085406,0.0283730414,0.0283730414,GGA+U,P-1,A4B3C7_aP28_2_ad3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ad5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174316,Li4Mn3O7,-7.1033878389,-2.1213479588,0.0478336232,0.0478336232,GGA+U,P-1,A4B3C7_aP28_2_bd3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_bd5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174320,Li4Mn3O7,-7.1176732286,-2.1356333485,0.0335482336,0.0335482336,GGA+U,P-1,A4B3C7_aP28_2_be3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_be4i_3i_14i:Li-Mn-O, expected Li5Mn3O14 to be Li4Mn3O7" +mp-1174322,Li4Mn3O7,-7.0998013743,-2.1177614942,0.0514200879,0.0514200879,GGA+U,P-1,A4B3C7_aP28_2_ae3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ae5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174323,Li4Mn3O7,-7.1004295629,-2.1183896827,0.0507918993,0.0507918993,GGA+U,P-1,A4B3C7_aP28_2_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ac5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174326,Li4Mn3O7,-7.1035289396,-2.1214890595,0.0476925225,0.0476925225,GGA+U,P-1,A4B3C7_aP28_2_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ac6i_3i_14i:Li-Mn-O, expected Li7Mn3O14 to be Li4Mn3O7" +mp-1174330,Li4Mn3O7,-7.106761165,-2.1247212849,0.0444602971,0.0444602971,GGA+U,P-1,A4B3C7_aP28_2_ab3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_ab5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174348,Li4Mn3O7,-7.1109221936,-2.1288823135,0.0402992686,0.0402992686,GGA+U,P-1,A4B3C7_aP28_2_be3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_aP28_2_be5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174299,Li4Mn3O7,-7.1064977957,-2.1244579156,0.0447236664,0.0447236664,GGA+U,C2/m,A4B3C7_mC56_12_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ac3i_4i_14i:Li-Mn-O, expected Li2Mn2O7 to be Li4Mn3O7" +mp-1174337,Li4Mn3O7,-7.1255510571,-2.143511177,0.025670405,0.025670405,GGA+U,C2/m,A4B3C7_mC56_12_ad3g_3h_i3j:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ac5g_4h_2i10j:Li-Mn-O, expected Li3Mn2O11 to be Li4Mn3O7" +mp-1174351,Li4Mn3O7,-7.1106395196,-2.1285996395,0.0405819425,0.0405819425,GGA+U,C2/m,A4B3C7_mC56_12_ad3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ad5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174359,Li4Mn3O7,-7.1081932325,-2.1261533524,0.0430282296,0.0430282296,GGA+U,C2/m,A4B3C7_mC56_12_ad3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ac5i_3i_14i:Li-Mn-O, expected Li6Mn3O14 to be Li4Mn3O7" +mp-1174373,Li4Mn3O7,-7.1059687075,-2.1239288274,0.0452527546,0.0452527546,GGA+U,C2/m,A4B3C7_mC56_12_ad3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ac5i_4i_13i:Li-Mn-O, expected Li6Mn4O13 to be Li4Mn3O7" +mp-1174378,Li4Mn3O7,-7.1112313496,-2.1291914695,0.0399901125,0.0399901125,GGA+U,C2/m,A4B3C7_mC56_12_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ad5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174387,Li4Mn3O7,-7.1081091343,-2.1260692542,0.0431123279,0.0431123279,GGA+U,C2/m,A4B3C7_mC56_12_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ad6i_4i_14i:Li-Mn-O, expected Li7Mn4O14 to be Li4Mn3O7" +mp-1174410,Li4Mn3O7,-7.1090418925,-2.1270020124,0.0421795696,0.0421795696,GGA+U,C2/m,A4B3C7_mC56_12_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ad5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-1174463,Li4Mn3O7,-7.0174087329,-2.0353688527,0.1338127293,0.1338127293,GGA+U,C2/m,A4B3C7_mC56_12_ac3i_3i_7i:Li-Mn-O,28.0,"Invalid WP multiplicities - A4B3C7_mC56_12_ad5i_4i_14i:Li-Mn-O, expected Li3Mn2O7 to be Li4Mn3O7" +mp-691115,Li4Mn5O12,-7.4263577576,-2.0546419261,0.0,-0.0084983711,GGA+U,C2/c,A4B5C12_mC84_15_aef_c2f_6f:Li-Mn-O,42.0,"Invalid WP multiplicities - A4B5C12_mC84_15_2ce2f_2a7f_24f:Li-Mn-O, expected Li7Mn16O48 to be Li4Mn5O12" +mp-758700,LiMn2O4,-7.7268455869,-2.0097444018,0.059088966,0.0557368165,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Li-Mn-O,42.0,AB2C4_aP42_1_6a_12a_24a:Li-Mn-O +mp-1097058,LiMn2O4,-7.7660285137,-2.0489273285,0.0199060392,0.0165538897,GGA+U,P1,AB2C4_aP126_1_18a_36a_72a:Li-Mn-O,126.0,"Invalid WP multiplicities - AB2C4_mC252_9_16a_34a_72a:Li-Mn-O, expected Li8Mn17O36 to be LiMn2O4" +mp-1097867,LiMn2O4,-7.7808904021,-2.063789217,0.0050441507,0.0016920012,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Li-Mn-O,42.0,AB2C4_aP42_1_6a_12a_24a:Li-Mn-O +mp-1176656,LiMn2O4,-7.7403888321,-2.023287647,0.0455457207,0.0421935712,GGA+U,P-1,AB2C4_aP7_2_b_cd_2i:Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_aP7_2_b_2c2d_2i:Li-Mn-O, expected LiMn4O4 to be LiMn2O4" +mp-1016095,LiMn2O4,-7.72682928,-2.0097280949,0.0591052729,0.0557531234,GGA+U,Cc,AB2C4_mC84_9_3a_6a_12a:Li-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_9_5a_12a_24a:Li-Mn-O, expected Li5Mn12O24 to be LiMn2O4" +mp-1045561,LiMn2O4,-7.7125712157,-1.9954700306,0.0733633371,0.0700111877,GGA+U,P2/m,AB2C4_mP7_10_c_bd_mn:Li-Mn-O,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Li-Mn-O, expected LiMn2O8 to be LiMn2O4" +mp-757975,LiMn2O4,-7.7364217493,-2.0193205642,0.0495128036,0.0461606541,GGA+U,C2/c,AB2C4_mC28_15_c_ad_2f:Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_15_a_2b2c_5f:Li-Mn-O, expected LiMn4O10 to be LiMn2O4" +mp-641353,LiMn2O4,-7.7618611194,-2.0447599343,0.0240734335,0.020721284,GGA+U,Fddd,AB2C4_oF504_70_aefh_d4h_9h:Li-Mn-O,126.0,"Invalid WP multiplicities - AB2C4_oF504_70_2a2e3f4h_3d23h_65h:Li-Mn-O, expected Li14Mn49O130 to be LiMn2O4" +mp-1199729,LiMn2O4,-7.7671065675,-2.0500053823,0.0188279854,0.0154758359,GGA+U,Fddd,AB2C4_oF504_70_aefh_d4h_9h:Li-Mn-O,126.0,AB2C4_oF504_70_aefh_d4h_9h:Li-Mn-O +mp-1222501,LiMn2O4,-7.4893769186,-1.7722757335,0.2965576343,0.2932054848,GGA+U,Ibam,AB2C4_oI28_72_c_e_fj:Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_72_c_e_2f2j:Li-Mn-O, expected LiMn2O8 to be LiMn2O4" +mp-1399454,LiMn2O4,-7.489674993599999,-1.7725738085,0.2962595593,0.2929074098,GGA+U,Ibam,AB2C4_oI28_72_c_e_fj:Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_72_c_e_2f2j:Li-Mn-O, expected LiMn2O8 to be LiMn2O4" +mp-1272804,LiMn2O4,-7.7859345529,-2.0688333677,0.0,-0.0033521495,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_e_2a2c_4h4i:Li-Mn-O, expected LiMn4O16 to be LiMn2O4" +mp-756371,LiMn2O4,-7.7396678571,-2.022566672,0.0462666957,0.0429145462,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Li-Mn-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Li-Mn-O +mp-771290,LiMn2O4,-7.7585778464,-2.0414766613,0.0273567064,0.024004557,GGA+U,P6_3mc,AB2C4_hP28_186_ab_bc_ab2c:Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_hP28_186_a2b_2b3c_a2b9c:Li-Mn-O, expected Li3Mn11O30 to be LiMn2O4" +mp-22584,LiMn2O4,-7.7409561193,-2.0238549342,0.0449784336,0.0416262841,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Li-Mn-O,14.0,AB2C4_cF56_227_a_d_e:Li-Mn-O +mp-766948,LiMn10O20,-8.0388232197,-1.830344187,0.0369591178,0.0369591178,GGA+U,I4_1/a,AB10C20_tI124_88_a_c2f_5f:Li-Mn-O,62.0,"Invalid WP multiplicities - AB10C20_tI124_88_a_3c13f_34f:Li-Mn-O, expected LiMn58O136 to be LiMn10O20" +mp-770533,Li6MnO4,-5.7242086295,-2.0512715989,0.0,-0.0041890177,GGA+U,P4_2/nmc,A6BC4_tP22_137_df_a_g:Li-Mn-O,44.0,A6BC4_tP22_137_df_a_g:Li-Mn-O +mp-699179,Li7Mn17O32,-7.8973439845,-2.0507232918,0.0158979382,0.0158979382,GGA+U,C2,A7B17C32_mC112_5_a2b2c_a8c_16c:Li-Mn-O,56.0,"Invalid WP multiplicities - A7B17C32_mC112_5_a2b4c_a14c_32c:Li-Mn-O, expected Li11Mn29O64 to be Li7Mn17O32" +mp-531248,Li7Mn17O32,-7.8164846336,-1.9698639409,0.0967572891,0.0967572891,GGA+U,I-42m,A7B17C32_tI112_121_adi_b2ij_4i2j:Li-Mn-O,56.0,"Invalid WP multiplicities - A7B17C32_tI112_121_a2d3i_b8i2j_15i10j:Li-Mn-O, expected Li17Mn49O140 to be Li7Mn17O32" +mp-754811,Li3Mn5O8,-7.7571338037,-2.0627366319,0.0526067372,0.0526067372,GGA+U,R-3m,A3B5C8_hR48_166_d_abe_ch:Li-Mn-O,16.0,"Invalid WP multiplicities - A3B5C8_hR48_166_d_abe_2ch:Li-Mn-O, expected Li3Mn5O10 to be Li3Mn5O8" +mp-1210922,LiMnO7,-5.294972365,-0.2174435719,0.8270293301,0.8270293301,GGA+U,P6_3mc,ABC7_hP18_186_a_b_b2c:Li-Mn-O,18.0,ABC7_hP18_186_a_b_b2c:Li-Mn-O +mp-752819,Li13Mn2O12,-5.7132069015,-1.9168997761,0.1065084806,0.1065084806,GGA+U,P1,A13B2C12_aP27_1_13a_2a_12a:Li-Mn-O,27.0,A13B2C12_aP27_1_13a_2a_12a:Li-Mn-O +mp-764763,Li7Mn4O12,-6.8270007722,-2.071749217,0.0428114599,0.0428114599,GGA+U,P1,A7B4C12_aP23_1_7a_4a_12a:Li-Mn-O,23.0,A7B4C12_aP23_1_7a_4a_12a:Li-Mn-O +mp-759136,LiMn5O10,-7.9086276066,-1.8345097041,0.0896296965,0.0896296965,GGA+U,P-1,AB5C10_aP32_2_i_5i_10i:Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C10_aP32_2_i_9i_19i:Li-Mn-O, expected LiMn9O19 to be LiMn5O10" +mp-758802,Li3Mn3O8,-7.1389768443,-1.9399536896,0.0690039548,0.0690039548,GGA+U,C2,A3B3C8_mC112_5_ab5c_ab5c_16c:Li-Mn-O,56.0,"Invalid WP multiplicities - A3B3C8_mC112_5_ab10c_ab10c_31c:Li-Mn-O, expected Li11Mn11O31 to be Li3Mn3O8" +mp-33461,Li3Mn3O8,-7.16239095,-1.9633677953,0.0455898491,0.0455898491,GGA+U,R-3m,A3B3C8_hR42_166_ac_d_ch:Li-Mn-O,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_ac_d_2ch:Li-Mn-O, expected Li3Mn3O10 to be Li3Mn3O8" +mp-756538,Li3Mn3O8,-7.1313049511,-1.9322817963,0.076675848,0.076675848,GGA+U,P6_3mc,A3B3C8_hP28_186_a2b_c_ab2c:Li-Mn-O,28.0,"Invalid WP multiplicities - A3B3C8_hP28_186_a4b_c_a2b9c:Li-Mn-O, expected Li5Mn3O30 to be Li3Mn3O8" +mp-770608,Li3Mn3O8,-7.1769089557,-1.977885801,0.0310718434,0.0310718434,GGA+U,P4_332,A3B3C8_cP56_212_ac_d_ce:Li-Mn-O,56.0,"Invalid WP multiplicities - A3B3C8_cP56_212_4a5c_d_8c9e:Li-Mn-O, expected Li14Mn3O70 to be Li3Mn3O8" +mp-757896,Li7Mn14O32,-7.5961793689,-1.9372225214,0.0243486376,0.0243486376,GGA+U,R3m,A7B14C32_hR159_160_7a_2a4b_8a8b:Li-Mn-O,53.0,"Invalid WP multiplicities - A7B14C32_hR159_160_7a_2a9b_8a17b:Li-Mn-O, expected Li7Mn29O59 to be Li7Mn14O32" +mp-1222353,LiMnRhO4,-7.2328571093,-1.7725712702,0.0,-0.0152236679,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Rh,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Li-Mn-O-Rh, expected LiMnRhO8 to be LiMnRhO4" +mp-867994,Li6Mn9O20,-7.5565913709,-2.0467213979,0.021440651,0.021440651,GGA+U,C2/m,A6B9C20_mC140_12_ac5i_e4i2j_10i5j:Li-Mn-O,70.0,"Invalid WP multiplicities - A6B9C20_mC140_12_ad9i_2e7i8j_19i16j:Li-Mn-O, expected Li10Mn25O51 to be Li6Mn9O20" +mp-1280924,Li2MnO2,-6.550560625,-1.9759129354,0.0563142753,0.0563142753,GGA+U,C2/m,A2BC2_mC20_12_2i_i_2i:Li-Mn-O,20.0,A2BC2_oI10_71_e_a_f:Li-Mn-O +mp-755372,Li2MnO2,-6.553456629,-1.9788089394,0.0534182713,0.0534182713,GGA+U,Immm,A2BC2_oI10_71_e_a_f:Li-Mn-O,10.0,A2BC2_oI10_71_e_a_f:Li-Mn-O +mp-19279,Li2MnO2,-6.597268534,-2.0226208444,0.0096063663,0.0096063663,GGA+U,P-3m1,A2BC2_hP5_164_d_a_d:Li-Mn-O,5.0,A2BC2_hP5_164_d_a_d:Li-Mn-O +mp-19438,LiMnO4,-6.5479228092,-1.4049739752,0.1617353778,0.1617353778,GGA+U,Cmcm,ABC4_oC24_63_a_c_fg:Li-Mn-O,12.0,"Invalid WP multiplicities - ABC4_oC24_63_a_c_2f2g:Li-Mn-O, expected LiMnO8 to be LiMnO4" +mp-1120793,LiMnO3,-6.8745640015,-1.692363143,0.183920014,0.183920014,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Li-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Li-Mn-O +mp-770513,Li8Mn2O7,-6.0151070722,-2.0020344548,0.1063330154,0.1063330154,GGA+U,P2_1/c,A8B2C7_mP68_14_8e_2e_7e:Li-Mn-O,68.0,"Invalid WP multiplicities - A8B2C7_mP68_14_31e_3e_27e:Li-Mn-O, expected Li31Mn3O27 to be Li8Mn2O7" +mp-754580,Li5MnO5,-5.90650256,-1.957404998,0.0946106441,0.0946106441,GGA+U,C2,A5BC5_mC22_5_b2c_a_a2c:Li-Mn-O,11.0,"Invalid WP multiplicities - A5BC5_mC22_5_b3c_a_a3c:Li-Mn-O, expected Li7MnO7 to be Li5MnO5" +mp-770101,Li5MnO5,-5.9367974655,-1.9876999035,0.0643157386,0.0643157386,GGA+U,C2/m,A5BC5_mC22_12_c2i_a_b2i:Li-Mn-O,11.0,"Invalid WP multiplicities - A5BC5_mC22_12_c3i_b_a3i:Li-Mn-O, expected Li7MnO7 to be Li5MnO5" +mp-753234,LiMn7O12,-8.204768034,-1.9346033117,0.0700463779,0.0700463779,GGA+U,C2,AB7C12_mC40_5_a_2a3bc_6c:Li-Mn-O,20.0,"Invalid WP multiplicities - AB7C12_mC40_5_a_2a3b2c_12c:Li-Mn-O, expected LiMn9O24 to be LiMn7O12" +mp-1312332,LiMn7O12,-8.2121473605,-1.9419826382,0.0626670514,0.0626670514,GGA+U,C2/m,AB7C12_mC80_12_ad_bcef2ij_4i4j:Li-Mn-O,40.0,"Invalid WP multiplicities - AB7C12_mC80_12_ad_bc2e2f2ij_8i15j:Li-Mn-O, expected LiMn9O38 to be LiMn7O12" +mp-770641,LiMn7O12,-8.2226827494,-1.9525180271,0.0521316625,0.0521316625,GGA+U,I4_1/acd,AB7C12_tI160_142_a_bcef_3g:Li-Mn-O,80.0,"Invalid WP multiplicities - AB7C12_tI160_142_a_2b5c7e5f_27g:Li-Mn-O, expected LiMn36O108 to be LiMn7O12" +mp-755432,LiMn7O12,-8.211980877,-1.9418161547,0.0628335349,0.0628335349,GGA+U,Im-3,AB7C12_cI40_204_a_bc_g:Li-Mn-O,20.0,"Invalid WP multiplicities - AB7C12_cI40_204_a_2b2c_g:Li-Mn-O, expected LiMn14O12 to be LiMn7O12" +mp-1239060,LiMnO,-5.68933798,-0.3501290233,1.3433936523,1.3433936523,GGA+U,P4mm,ABC_tP3_99_a_a_a:Li-Mn-O,3.0,ABC_tP3_99_a_a_a:Li-Mn-O +mp-753075,Li12Mn2O9,-5.7550556252,-2.0267380867,0.0695392639,0.0695392639,GGA+U,P1,A12B2C9_aP23_1_12a_2a_9a:Li-Mn-O,23.0,A12B2C9_aP23_1_12a_2a_9a:Li-Mn-O +mp-530177,Li5Mn7O16,-7.5260563891,-2.0679942192,0.0,-0.0098044327,GGA+U,Pnnm,A5B7C16_oP56_58_a2g_cgh_4g2h:Li-Mn-O,56.0,"Invalid WP multiplicities - A5B7C16_oP56_58_2a4g_2c4g5h_15g12h:Li-Mn-O, expected Li5Mn15O39 to be Li5Mn7O16" +mp-767763,Li7Mn8O20,-7.3181857077,-2.0155469469,0.0208212665,0.0208212665,GGA+U,C2/m,A7B8C20_mC140_12_7i_ace2i2j_10i5j:Li-Mn-O,70.0,"Invalid WP multiplicities - A7B8C20_mC140_12_13i_ad2e4i6j_20i19j:Li-Mn-O, expected Li13Mn19O58 to be Li7Mn8O20" +mp-691164,Li3Mn2O4,-6.7757423256,-1.904902989,0.1843370663,0.1843370663,GGA+U,C2/c,A3B2C4_mC36_15_ace_bd_2f:Li-Mn-O,18.0,"Invalid WP multiplicities - A3B2C4_mC36_15_2ac2e_2bd_6f:Li-Mn-O, expected Li5Mn3O12 to be Li3Mn2O4" +mp-33314,Li3Mn2O4,-6.7595821872,-1.8887428507,0.2004972046,0.2004972046,GGA+U,Imma,A3B2C4_oI36_74_ace_bd_hi:Li-Mn-O,18.0,"Invalid WP multiplicities - A3B2C4_oI36_74_2ac2e_2bd_3h3i:Li-Mn-O, expected Li5Mn3O12 to be Li3Mn2O4" +mp-673675,Li3Mn2O4,-6.7627329406,-1.891893604,0.1973464513,0.1973464513,GGA+U,I4_1/amd,A3B2C4_tI36_141_ac_d_h:Li-Mn-O,18.0,"Invalid WP multiplicities - A3B2C4_tI36_141_2a2c_d_h:Li-Mn-O, expected Li3MnO2 to be Li3Mn2O4" +mp-764701,Li8Mn5O10,-6.8455123052,-2.0390624571,0.0377835015,0.0377835015,GGA+U,P1,A8B5C10_aP23_1_8a_5a_10a:Li-Mn-O,23.0,A8B5C10_aP23_1_8a_5a_10a:Li-Mn-O +mp-1176738,LiMn7O14,-8.0095961266,-1.8597474053,0.0323571049,0.0323571049,GGA+U,C2/c,AB7C14_mC176_15_f_ac6f_14f:Li-Mn-O,88.0,"Invalid WP multiplicities - AB7C14_mC176_15_f_2a2c24f_55f:Li-Mn-O, expected LiMn26O55 to be LiMn7O14" +mp-757932,Li4Mn7O16,-7.5282986974,-1.9387869237,0.060751938,0.060751938,GGA+U,C2/m,A4B7C16_mC54_12_hi_agj_2i3j:Li-Mn-O,27.0,"Invalid WP multiplicities - A4B7C16_mC54_12_2h2i_a2g3j_4i11j:Li-Mn-O, expected Li8Mn17O52 to be Li4Mn7O16" +mp-34891,Li2Mn15O32,-7.8365504851,-1.7234461203,0.0994961312,0.0994961312,GGA+U,R3m,A2B15C32_hR147_160_2a_3a4b_8a8b:Li-Mn-O,49.0,"Invalid WP multiplicities - A2B15C32_hR147_160_2a_3a10b_8a22b:Li-Mn-O, expected Li2Mn33O74 to be Li2Mn15O32" +mp-779771,Li11Mn6O16,-6.8130620212,-2.1125389101,0.0500556095,0.0500556095,GGA+U,P1,A11B6C16_aP66_1_22a_12a_32a:Li-Mn-O,66.0,A11B6C16_aP66_1_22a_12a_32a:Li-Mn-O +mp-698705,Li4Mn13O24,-7.998271708,-2.0113834316,0.0293818208,0.0293818208,GGA+U,P1,A4B13C24_aP41_1_4a_13a_24a:Li-Mn-O,41.0,A4B13C24_aP41_1_4a_13a_24a:Li-Mn-O +mp-770866,LiMn5O8,-8.25707259,-2.0218933745,0.0380914421,0.0380914421,GGA+U,P4_332,AB5C8_cP56_212_a_cd_ce:Li-Mn-O,56.0,"Invalid WP multiplicities - AB5C8_cP56_212_a_4c4d_8c8e:Li-Mn-O, expected LiMn20O64 to be LiMn5O8" +mp-531323,Li10Mn23O48,-7.7107458484,-1.9421453728,0.0708753743,0.0708753743,GGA+U,Cm,A10B23C48_mC162_8_10a_11a6b_24a12b:Li-Mn-O,81.0,"Invalid WP multiplicities - A10B23C48_mC162_8_10a_11a10b_24a24b:Li-Mn-O, expected Li10Mn31O72 to be Li10Mn23O48" +mp-758827,Li6Mn17O40,-7.5599789667,-1.7651322109,0.079495528,0.079495528,GGA+U,Cm,A6B17C40_mC126_8_6a_7a5b_20a10b:Li-Mn-O,63.0,"Invalid WP multiplicities - A6B17C40_mC126_8_6a_7a10b_20a20b:Li-Mn-O, expected Li2Mn9O20 to be Li6Mn17O40" +mp-754870,Li2RhO3,-6.0927310817,-1.7556944588,0.0,-0.1147819908,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Li-O-Rh,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i2j_h:Li-O-Rh, expected Li2RhO6 to be Li2RhO3" +mp-694974,Li7Mn16O32,-7.8138771476,-2.0275363567,0.0183356272,0.0183356272,GGA+U,P1,A7B16C32_aP55_1_7a_16a_32a:Li-Mn-O,55.0,A7B16C32_aP55_1_7a_16a_32a:Li-Mn-O +mp-531650,Li7Mn16O32,-7.7480698578,-1.9617290669,0.084142917,0.084142917,GGA+U,I-42m,A7B16C32_tI110_121_adi_2ij_4i2j:Li-Mn-O,55.0,"Invalid WP multiplicities - A7B16C32_tI110_121_a2d3i_5i3j_15i9j:Li-Mn-O, expected Li17Mn44O132 to be Li7Mn16O32" +mp-755825,Li5MnO4,-5.8884226165,-2.0390841695,0.062331482,0.062331482,GGA+U,Pmn2_1,A5BC4_oP20_31_a2b_a_2ab:Li-Mn-O,40.0,A5BC4_oP20_31_a2b_a_2ab:Li-Mn-O +mp-774621,Li5MnO4,-5.9093588845,-2.0600204375,0.041395214,0.041395214,GGA+U,Aea2,A5BC4_oC40_41_a2b_a_2b:Li-Mn-O,20.0,"Invalid WP multiplicities - A5BC4_oC40_41_2a6b_a_6b:Li-Mn-O, expected Li14MnO12 to be Li5MnO4" +mp-754285,Li5MnO4,-5.885737233,-2.036398786,0.0650168655,0.0650168655,GGA+U,Pmmn,A5BC4_oP20_59_ag_b_ef:Li-Mn-O,20.0,"Invalid WP multiplicities - A5BC4_oP20_59_2a3g_b_2e3f:Li-Mn-O, expected Li14MnO10 to be Li5MnO4" +mp-770510,Li5MnO4,-5.9075972053,-2.0582587582,0.0431568932,0.0431568932,GGA+U,Pbca,A5BC4_oP80_61_5c_c_4c:Li-Mn-O,80.0,"Invalid WP multiplicities - A5BC4_oP80_61_17c_c_13c:Li-Mn-O, expected Li17MnO13 to be Li5MnO4" +mp-770514,Li5MnO4,-5.8658677179000005,-2.0165292708,0.0848863806,0.0848863806,GGA+U,Pbca,A5BC4_oP80_61_5c_c_4c:Li-Mn-O,80.0,"Invalid WP multiplicities - A5BC4_oP80_61_17c_c_13c:Li-Mn-O, expected Li17MnO13 to be Li5MnO4" +mp-770528,Li5MnO4,-5.8522803341,-2.0029418871,0.0984737644,0.0984737644,GGA+U,P4_2/nmc,A5BC4_tP80_137_abd2fh_g_2gh:Li-Mn-O,80.0,"Invalid WP multiplicities - A5BC4_tP80_137_2a2b3d6f8h_g_12g3h:Li-Mn-O, expected Li49Mn2O36 to be Li5MnO4" +mp-1173930,Li2MnO3,-6.7557430275,-2.119088501,0.0616603758,-0.0177416842,GGA+U,P-1,A2BC3_aP12_2_aei_i_3i:Li-Mn-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_ac2i_i_5i:Li-Mn-O, expected Li3MnO5 to be Li2MnO3" +mp-18988,Li2MnO3,-6.8174034033,-2.1807488768,0.0,-0.07940206,GGA+U,C2/m,A2BC3_mC24_12_adg_h_ij:Li-Mn-O,24.0,A2BC3_mC24_12_adg_h_ij:Li-Mn-O +mp-1173926,Li2MnO3,-6.7565109117,-2.1198563851,0.0608924917,-0.0185095683,GGA+U,C2/m,A2BC3_mC24_12_adi_i_3i:Li-Mn-O,24.0,A2BC3_mC24_12_aci_i_3i:Li-Mn-O +mp-1173928,Li2MnO3,-6.75989445,-2.1232399235,0.0575089533,-0.0218931067,GGA+U,C2/m,A2BC3_mC24_12_aci_i_3i:Li-Mn-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_adi_i_6i:Li-Mn-O, expected Li2MnO6 to be Li2MnO3" +mp-1173939,Li2MnO3,-6.7521287504,-2.1154742239,0.0652746529,-0.0141274071,GGA+U,C2/m,A2BC3_mC24_12_aci_i_3i:Li-Mn-O,24.0,A2BC3_mC24_12_adi_i_3i:Li-Mn-O +mp-1173951,Li2MnO3,-6.5265995208,-1.8899449943,0.2908038825,0.2114018225,GGA+U,C2/m,A2BC3_mC24_12_aci_i_3i:Li-Mn-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_adi_i_6i:Li-Mn-O, expected Li2MnO6 to be Li2MnO3" +mp-1173923,Li2MnO3,-6.4897519633,-1.8530974368,0.32765144,0.24824938,GGA+U,P-3m1,A2BC3_hP12_164_abd_d_c2d:Li-Mn-O,12.0,"Invalid WP multiplicities - A2BC3_hP12_164_abd_d_2c4d:Li-Mn-O, expected Li2MnO6 to be Li2MnO3" +mp-1284734,Li5Mn3O8,-6.938481685,-2.1507210663,0.0249671191,0.0249671191,GGA+U,P1,A5B3C8_aP16_1_5a_3a_8a:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_aP16_1_5a_6a_8a:Li-Mn-O, expected Li5Mn6O8 to be Li5Mn3O8" +mp-1316353,Li5Mn3O8,-6.9202490031,-2.1324883844,0.0431998009,0.0431998009,GGA+U,P1,A5B3C8_aP32_1_10a_6a_16a:Li-Mn-O,32.0,A5B3C8_aP32_1_10a_6a_16a:Li-Mn-O +mp-1174737,Li5Mn3O8,-6.9317097981,-2.1439491794,0.0317390059,0.0317390059,GGA+U,P-1,A5B3C8_aP16_2_a2i_bcg_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_a4i_bcg_8i:Li-Mn-O, expected Li9Mn3O16 to be Li5Mn3O8" +mp-1174741,Li5Mn3O8,-6.9331839081,-2.1454232894,0.0302648959,0.0302648959,GGA+U,P-1,A5B3C8_aP16_2_a2i_bi_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_a2i_bi_8i:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1174758,Li5Mn3O8,-6.8960248394,-2.1082642207,0.0674239647,0.0674239647,GGA+U,P-1,A5B3C8_aP16_2_bcdi_hi_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_bcd2i_hi_8i:Li-Mn-O, expected Li7Mn3O16 to be Li5Mn3O8" +mp-1174761,Li5Mn3O8,-6.9054962834,-2.1177356647,0.0579525206,0.0579525206,GGA+U,P-1,A5B3C8_aP16_2_a2i_bi_4i:Li-Mn-O,32.0,A5B3C8_aP16_2_a2i_bi_4i:Li-Mn-O +mp-1174763,Li5Mn3O8,-6.8968472581,-2.1090866394,0.0666015459,0.0666015459,GGA+U,P-1,A5B3C8_aP16_2_abci_gi_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_abc2i_gi_7i:Li-Mn-O, expected Li7Mn3O14 to be Li5Mn3O8" +mp-1174766,Li5Mn3O8,-6.8574234912000005,-2.0696628725,0.1060253128,0.1060253128,GGA+U,P-1,A5B3C8_aP16_2_a2i_ei_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_a2i_ei_8i:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1174777,Li5Mn3O8,-6.8633703962,-2.0756097775,0.1000784078,0.1000784078,GGA+U,P-1,A5B3C8_aP16_2_b2i_cdh_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_aP16_2_b3i_cdh_7i:Li-Mn-O, expected Li7Mn3O14 to be Li5Mn3O8" +mp-1174778,Li5Mn3O8,-6.910255395,-2.1224947763,0.0531934091,0.0531934091,GGA+U,P-1,A5B3C8_aP16_2_b2i_ci_4i:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_aP16_2_b2i_2c2i_4i:Li-Mn-O, expected Li5Mn6O8 to be Li5Mn3O8" +mp-1290794,Li5Mn3O8,-6.9383568103,-2.1505961916,0.0250919937,0.0250919937,GGA+U,P-1,A5B3C8_aP32_2_acfh3i_3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_aP32_2_abch5i_6i_16i:Li-Mn-O, expected Li7Mn6O16 to be Li5Mn3O8" +mp-1315117,Li5Mn3O8,-6.9377181459,-2.1499575272,0.0257306581,0.0257306581,GGA+U,P-1,A5B3C8_aP32_2_ab4i_eh2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_aP32_2_ab5i_eh3i_15i:Li-Mn-O, expected Li6Mn4O15 to be Li5Mn3O8" +mp-1174646,Li5Mn3O8,-6.9251270456,-2.1373664269,0.0383217584,0.0383217584,GGA+U,P2/m,A5B3C8_mP16_10_abgj_hk_mno:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mP16_10_abc2j_fl_2m2n4o:Li-Mn-O, expected Li7Mn3O24 to be Li5Mn3O8" +mp-1174683,Li5Mn3O8,-6.9017554175,-2.1139947988,0.0616933866,0.0616933866,GGA+U,P2/m,A5B3C8_mP16_10_bcdn_hm_2m2n:Li-Mn-O,32.0,A5B3C8_mP16_10_bcem_gn_2m2n:Li-Mn-O +mp-1174685,Li5Mn3O8,-6.9050492125,-2.1172885938,0.0583995916,0.0583995916,GGA+U,P2/m,A5B3C8_mP16_10_acdn_gn_2m2n:Li-Mn-O,32.0,A5B3C8_mP16_10_acdn_gn_2m2n:Li-Mn-O +mp-1174722,Li5Mn3O8,-6.8623133362,-2.0745527175,0.1011354678,0.1011354678,GGA+U,P2/m,A5B3C8_mP16_10_bmn_cdh_2m2n:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mP16_10_b2m2n_ceg_4m4n:Li-Mn-O, expected Li9Mn3O16 to be Li5Mn3O8" +mp-1174498,Li5Mn3O8,-6.9268418319,-2.1390812132,0.0366069722,0.0366069722,GGA+U,C2/m,A5B3C8_mC32_12_ahi_be_2ij:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_ah2i_b2f_3i2j:Li-Mn-O, expected Li7Mn5O14 to be Li5Mn3O8" +mp-1174519,Li5Mn3O8,-6.9270962619,-2.1393356432,0.0363525422,0.0363525422,GGA+U,C2/m,A5B3C8_mC32_12_aei_bh_2ij:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_afi_bh_4i2j:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1174540,Li5Mn3O8,-6.90799601,-2.1202353913,0.0554527941,0.0554527941,GGA+U,C2/m,A5B3C8_mC32_12_a2i_ci_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_a2i_di_8i:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1174546,Li5Mn3O8,-6.86095006,-2.0731894413,0.1024987441,0.1024987441,GGA+U,C2/m,A5B3C8_mC32_12_a2i_di_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_a3i_ci_7i:Li-Mn-O, expected Li7Mn3O14 to be Li5Mn3O8" +mp-1174550,Li5Mn3O8,-6.8978303488,-2.11006973,0.0656184553,0.0656184553,GGA+U,C2/m,A5B3C8_mC32_12_a2i_di_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_a2i_di_8i:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1174554,Li5Mn3O8,-6.9250477881,-2.1372871694,0.0384010159,0.0384010159,GGA+U,C2/m,A5B3C8_mC32_12_abcf_de_2ij:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_mC32_12_abce_2d2f_2ij:Li-Mn-O, expected Li5Mn6O8 to be Li5Mn3O8" +mp-1174652,Li5Mn3O8,-6.7370931863,-1.9493325675,0.2263556178,0.2263556178,GGA+U,C2/m,A5B3C8_mC32_12_a2i_ci_4i:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_mC32_12_a2i_ci_8i:Li-Mn-O, expected Li5Mn3O16 to be Li5Mn3O8" +mp-1277600,Li5Mn3O8,-6.9373368434,-2.1495762247,0.0261119606,0.0261119606,GGA+U,C2/m,A5B3C8_mC64_12_fgij_ab2h_2i3j:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_mC64_12_egij_ab4h_3i8j:Li-Mn-O, expected Li5Mn5O19 to be Li5Mn3O8" +mp-1297800,Li5Mn3O8,-6.9282923872,-2.1405317685,0.0351564169,0.0351564169,GGA+U,C2/c,A5B3C8_mC64_15_cdef_abe_4f:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_mC64_15_cdef_2a2b2e_9f:Li-Mn-O, expected Li5Mn6O18 to be Li5Mn3O8" +mp-1314325,Li5Mn3O8,-6.92408729,-2.1363266713,0.0393615141,0.0393615141,GGA+U,C2/c,A5B3C8_mC64_15_c2ef_abd_4f:Li-Mn-O,32.0,"Invalid WP multiplicities - A5B3C8_mC64_15_c2e2f_2ab2d_11f:Li-Mn-O, expected Li7Mn5O22 to be Li5Mn3O8" +mp-1174492,Li5Mn3O8,-6.9067114937,-2.118950875,0.0567373103,0.0567373103,GGA+U,R-3m,A5B3C8_hR48_166_abd_e_ch:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_hR48_166_ab2d_e_2c3h:Li-Mn-O, expected Li8Mn3O22 to be Li5Mn3O8" +mp-1174553,Li5Mn3O8,-6.6896644769,-1.9019038582,0.2737843272,0.2737843272,GGA+U,R-3m,A5B3C8_hR48_166_a2c_bc_4c:Li-Mn-O,16.0,"Invalid WP multiplicities - A5B3C8_hR48_166_a3c_bc_7c:Li-Mn-O, expected Li7Mn3O14 to be Li5Mn3O8" +mp-530628,Li10Mn21O48,-7.5746790747,-1.8919878349,0.0566070206,0.0566070206,GGA+U,C2/m,A10B21C48_mC158_12_5i_aef4i2j_12i6j:Li-Mn-O,79.0,"Invalid WP multiplicities - A10B21C48_mC158_12_9i_a2e2f8i7j_23i24j:Li-Mn-O, expected Li18Mn53O142 to be Li10Mn21O48" +mp-770530,Li14Mn2O9,-5.5927834416,-2.0100174769,0.0425441716,0.0425441716,GGA+U,P-3,A14B2C9_hP25_147_c2g_d_adg:Li-Mn-O,50.0,A14B2C9_hP25_147_c2g_d_adg:Li-Mn-O +mp-1100501,Li9Mn7O16,-7.139498445,-2.125078688,0.0430184602,0.0430184602,GGA+U,P-1,A9B7C16_aP32_2_a4i_beh2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_beh3i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100502,Li9Mn7O16,-7.1348703416,-2.1204505845,0.0476465636,0.0476465636,GGA+U,P-1,A9B7C16_aP32_2_bcd3i_h3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_bcd6i_h5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100503,Li9Mn7O16,-7.1175230225,-2.1031032655,0.0649938827,0.0649938827,GGA+U,P-1,A9B7C16_aP32_2_a4i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_e5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100504,Li9Mn7O16,-7.1175443391,-2.103124582,0.0649725661,0.0649725661,GGA+U,P-1,A9B7C16_aP32_2_b4i_cdh2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_cdh3i_16i:Li-Mn-O, expected Li17Mn9O32 to be Li9Mn7O16" +mp-1100506,Li9Mn7O16,-7.1392215497,-2.1248017927,0.0432953555,0.0432953555,GGA+U,P-1,A9B7C16_aP32_2_a4i_bcg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a8i_bcg2i_15i:Li-Mn-O, expected Li17Mn7O30 to be Li9Mn7O16" +mp-1100507,Li9Mn7O16,-7.1380555347,-2.1236357777,0.0444613705,0.0444613705,GGA+U,P-1,A9B7C16_aP32_2_abe3i_h3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abe6i_h4i_15i:Li-Mn-O, expected Li5Mn3O10 to be Li9Mn7O16" +mp-1100508,Li9Mn7O16,-7.1396156616,-2.1251959045,0.0429012436,0.0429012436,GGA+U,P-1,A9B7C16_aP32_2_a4i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_e4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100509,Li9Mn7O16,-7.1354529134,-2.1210331564,0.0470639917,0.0470639917,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc6i_g5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100510,Li9Mn7O16,-7.1418371984,-2.1274174414,0.0406797067,0.0406797067,GGA+U,P-1,A9B7C16_aP32_2_b4i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b6i_e5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100511,Li9Mn7O16,-7.1398627766,-2.1254430195,0.0426541286,0.0426541286,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_c4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100512,Li9Mn7O16,-7.1399212209,-2.1255014639,0.0425956842,0.0425956842,GGA+U,P-1,A9B7C16_aP32_2_b4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_d3i_16i:Li-Mn-O, expected Li15Mn7O32 to be Li9Mn7O16" +mp-1100513,Li9Mn7O16,-7.1432594084,-2.1288396514,0.0392574967,0.0392574967,GGA+U,P-1,A9B7C16_aP32_2_b4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_d4i_15i:Li-Mn-O, expected Li17Mn9O30 to be Li9Mn7O16" +mp-1100514,Li9Mn7O16,-7.1554088772,-2.1409891202,0.027108028,0.027108028,GGA+U,P-1,A9B7C16_aP32_2_b4i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b6i_e6i_16i:Li-Mn-O, expected Li13Mn13O32 to be Li9Mn7O16" +mp-1100515,Li9Mn7O16,-7.1480546903,-2.1336349333,0.0344622148,0.0344622148,GGA+U,P-1,A9B7C16_aP32_2_a4i_bcg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a8i_bcg4i_16i:Li-Mn-O, expected Li17Mn11O32 to be Li9Mn7O16" +mp-1100516,Li9Mn7O16,-7.149306085,-2.134886328,0.0332108202,0.0332108202,GGA+U,P-1,A9B7C16_aP32_2_a4i_cfh2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_cfh4i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100517,Li9Mn7O16,-7.1525502406,-2.1381304836,0.0299666645,0.0299666645,GGA+U,P-1,A9B7C16_aP32_2_bce3i_f3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_bce6i_f5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100518,Li9Mn7O16,-7.148082495,-2.133662738,0.0344344102,0.0344344102,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_c5i_15i:Li-Mn-O, expected Li15Mn11O30 to be Li9Mn7O16" +mp-1100519,Li9Mn7O16,-7.1532419062,-2.1388221492,0.0292749989,0.0292749989,GGA+U,P-1,A9B7C16_aP32_2_bcd3i_h3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_bcd6i_h4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100520,Li9Mn7O16,-7.151879305,-2.137459548,0.0306376002,0.0306376002,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b6i_c3i_16i:Li-Mn-O, expected Li13Mn7O32 to be Li9Mn7O16" +mp-1100521,Li9Mn7O16,-7.1397786422,-2.1253588852,0.042738263,0.042738263,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc6i_g4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100522,Li9Mn7O16,-7.1522400666,-2.1378203095,0.0302768386,0.0302768386,GGA+U,P-1,A9B7C16_aP32_2_bce3i_f3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_bce6i_f6i_16i:Li-Mn-O, expected Li15Mn13O32 to be Li9Mn7O16" +mp-1100523,Li9Mn7O16,-7.1537094262,-2.1392896692,0.0288074789,0.0288074789,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100524,Li9Mn7O16,-7.1502210481,-2.1358012911,0.032295857,0.032295857,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc5i_g5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100526,Li9Mn7O16,-7.1543740306,-2.1399542736,0.0281428745,0.0281428745,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_c4i_16i:Li-Mn-O, expected Li17Mn9O32 to be Li9Mn7O16" +mp-1100529,Li9Mn7O16,-7.1478975369,-2.1334777799,0.0346193683,0.0346193683,GGA+U,P-1,A9B7C16_aP32_2_a4i_bcg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a8i_bcg4i_16i:Li-Mn-O, expected Li17Mn11O32 to be Li9Mn7O16" +mp-1100530,Li9Mn7O16,-7.1488251119,-2.1344053549,0.0336917933,0.0336917933,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100531,Li9Mn7O16,-7.1473464563,-2.1329266992,0.0351704489,0.0351704489,GGA+U,P-1,A9B7C16_aP32_2_abcdh2i_efg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abcdh4i_efg3i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100532,Li9Mn7O16,-7.1477149687,-2.1332952117,0.0348019364,0.0348019364,GGA+U,P-1,A9B7C16_aP32_2_acd3i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_acd6i_e5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100533,Li9Mn7O16,-7.1392052722,-2.1247855152,0.043311633,0.043311633,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_c4i_16i:Li-Mn-O, expected Li17Mn9O32 to be Li9Mn7O16" +mp-1100534,Li9Mn7O16,-7.1480636441,-2.133643887,0.0344532611,0.0344532611,GGA+U,P-1,A9B7C16_aP32_2_abcfh2i_deg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abcfh4i_deg3i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100535,Li9Mn7O16,-7.1476252853,-2.1332055283,0.0348916198,0.0348916198,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_c5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100536,Li9Mn7O16,-7.1585821847,-2.1441624277,0.0239347205,0.0239347205,GGA+U,P-1,A9B7C16_aP32_2_b4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_d5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100537,Li9Mn7O16,-7.1477461019,-2.1333263449,0.0347708033,0.0347708033,GGA+U,P-1,A9B7C16_aP32_2_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a8i_d4i_15i:Li-Mn-O, expected Li17Mn9O30 to be Li9Mn7O16" +mp-1100538,Li9Mn7O16,-7.1481577506,-2.1337379936,0.0343591545,0.0343591545,GGA+U,P-1,A9B7C16_aP32_2_abd3i_f3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abd6i_f5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100539,Li9Mn7O16,-7.1495298044,-2.1351100474,0.0329871008,0.0329871008,GGA+U,P-1,A9B7C16_aP32_2_b4i_cef2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_cef4i_16i:Li-Mn-O, expected Li17Mn11O32 to be Li9Mn7O16" +mp-1100540,Li9Mn7O16,-7.1566924041,-2.142272647,0.0258245011,0.0258245011,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_c5i_15i:Li-Mn-O, expected Li13Mn11O30 to be Li9Mn7O16" +mp-1100541,Li9Mn7O16,-7.1596279297,-2.1452081727,0.0228889755,0.0228889755,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100542,Li9Mn7O16,-7.1475433375,-2.1331235805,0.0349735677,0.0349735677,GGA+U,P-1,A9B7C16_aP32_2_b4i_cef2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_cef3i_16i:Li-Mn-O, expected Li17Mn9O32 to be Li9Mn7O16" +mp-1100543,Li9Mn7O16,-7.1494000869,-2.1349803299,0.0331168183,0.0331168183,GGA+U,P-1,A9B7C16_aP32_2_b4i_cef2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_cef4i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1100544,Li9Mn7O16,-7.1497988466,-2.1353790895,0.0327180586,0.0327180586,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100545,Li9Mn7O16,-7.1497804563,-2.1353606992,0.0327364489,0.0327364489,GGA+U,P-1,A9B7C16_aP32_2_a4i_cfh2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_cfh2i_16i:Li-Mn-O, expected Li15Mn7O32 to be Li9Mn7O16" +mp-1100546,Li9Mn7O16,-7.1497614031,-2.1353416461,0.032755502,0.032755502,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100547,Li9Mn7O16,-7.1497788713,-2.1353591142,0.0327380339,0.0327380339,GGA+U,P-1,A9B7C16_aP32_2_a4i_bcg2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_bcg3i_15i:Li-Mn-O, expected Li5Mn3O10 to be Li9Mn7O16" +mp-1100549,Li9Mn7O16,-7.1578656434,-2.1434458864,0.0246512617,0.0246512617,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc6i_g4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100551,Li9Mn7O16,-7.1579850891,-2.143565332,0.0245318161,0.0245318161,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_c5i_16i:Li-Mn-O, expected Li17Mn11O32 to be Li9Mn7O16" +mp-1100552,Li9Mn7O16,-7.1522349394,-2.1378151824,0.0302819658,0.0302819658,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc6i_g4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100553,Li9Mn7O16,-7.1585398575,-2.1441201005,0.0239770477,0.0239770477,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_c3i_15i:Li-Mn-O, expected Li15Mn7O30 to be Li9Mn7O16" +mp-1100554,Li9Mn7O16,-7.1560082253,-2.1415884683,0.0265086798,0.0265086798,GGA+U,P-1,A9B7C16_aP32_2_a4i_cde2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_cde3i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100555,Li9Mn7O16,-7.153747195,-2.139327438,0.0287697102,0.0287697102,GGA+U,P-1,A9B7C16_aP32_2_bcd3i_h3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_bcd6i_h4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100556,Li9Mn7O16,-7.1572958453,-2.1428760883,0.0252210598,0.0252210598,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b8i_c4i_16i:Li-Mn-O, expected Li17Mn9O32 to be Li9Mn7O16" +mp-1100557,Li9Mn7O16,-7.1575325278,-2.1431127708,0.0249843773,0.0249843773,GGA+U,P-1,A9B7C16_aP32_2_b4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_c4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100558,Li9Mn7O16,-7.1516076234,-2.1371878664,0.0309092817,0.0309092817,GGA+U,P-1,A9B7C16_aP32_2_abc3i_g3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abc5i_g5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100559,Li9Mn7O16,-7.1497860834,-2.1353663264,0.0327308217,0.0327308217,GGA+U,P-1,A9B7C16_aP32_2_acd3i_e3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_acd5i_e5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100562,Li9Mn7O16,-7.1528369987,-2.1384172417,0.0296799064,0.0296799064,GGA+U,P-1,A9B7C16_aP32_2_abe3i_h3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_abe6i_h5i_16i:Li-Mn-O, expected Li15Mn11O32 to be Li9Mn7O16" +mp-1330301,Li9Mn7O16,-4.761149545,0.253270212,2.4213673602,2.4213673602,GGA+U,P-1,A9B7C16_aP32_2_a4i_cde2i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a7i_cde3i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1368827,Li9Mn7O16,-5.4922766381,-0.4778568811,1.690240267,1.690240267,GGA+U,P-1,A9B7C16_aP32_2_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_a6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100476,Li9Mn7O16,-7.1317735153,-2.1173537583,0.0507433898,0.0507433898,GGA+U,P2/m,A9B7C16_mP32_10_abcgho_defo_2m2n2o:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_abcde2o_fgh3o_4m4n8o:Li-Mn-O, expected Li13Mn15O48 to be Li9Mn7O16" +mp-1100477,Li9Mn7O16,-7.1409740125,-2.1265542555,0.0415428927,0.0415428927,GGA+U,P2/m,A9B7C16_mP32_10_a2m2n_cehmn_4m4n:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_a3m3n_cehmn_8m8n:Li-Mn-O, expected Li13Mn7O32 to be Li9Mn7O16" +mp-1100479,Li9Mn7O16,-7.1411013247,-2.1266815677,0.0414155805,0.0414155805,GGA+U,P2/m,A9B7C16_mP32_10_a2m2n_cdg2n_4m4n:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_a4m2n_cdg3n_8m8n:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100481,Li9Mn7O16,-7.15693693,-2.142517173,0.0255799752,0.0255799752,GGA+U,P2/m,A9B7C16_mP32_10_abgi2k_h2jl_mn3o:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_abc2i4l_f3j2k_2m2n12o:Li-Mn-O, expected Li15Mn11O56 to be Li9Mn7O16" +mp-1100482,Li9Mn7O16,-7.1441301106,-2.1297103536,0.0383867945,0.0383867945,GGA+U,P2/m,A9B7C16_mP32_10_acdm2n_gm2n_4m4n:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_acd2m3n_g2m2n_8m8n:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100483,Li9Mn7O16,-7.1422197753,-2.1278000183,0.0402971298,0.0402971298,GGA+U,P2/m,A9B7C16_mP32_10_acdm2n_gm2n_4m4n:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_acd2m3n_gm2n_8m8n:Li-Mn-O, expected Li13Mn7O32 to be Li9Mn7O16" +mp-1100580,Li9Mn7O16,-7.1429601784,-2.1285404214,0.0395567267,0.0395567267,GGA+U,P2/m,A9B7C16_mP32_10_acem2n_h2mn_4m4n:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_acem4n_h3mn_8m8n:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100581,Li9Mn7O16,-7.1561002453,-2.1416804883,0.0264166598,0.0264166598,GGA+U,P2/m,A9B7C16_mP32_10_amno_bghjk_2m2n2o:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mP32_10_amn2o_bde2k2l_4m4n8o:Li-Mn-O, expected Li13Mn11O48 to be Li9Mn7O16" +mp-1100480,Li9Mn7O16,-7.1187332669,-2.1043135099,0.0637836383,0.0637836383,GGA+U,C2/m,A9B7C16_mC64_12_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a7i_c5i_15i:Li-Mn-O, expected Li15Mn11O30 to be Li9Mn7O16" +mp-1100484,Li9Mn7O16,-7.1445415931,-2.1301218361,0.037975312,0.037975312,GGA+U,C2/m,A9B7C16_mC64_12_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_c4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100485,Li9Mn7O16,-7.1386995816,-2.1242798245,0.0438173236,0.0438173236,GGA+U,C2/m,A9B7C16_mC64_12_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_d4i_16i:Li-Mn-O, expected Li13Mn9O32 to be Li9Mn7O16" +mp-1100486,Li9Mn7O16,-7.1369479206,-2.1225281636,0.0455689845,0.0455689845,GGA+U,C2/m,A9B7C16_mC64_12_af2hi_bgj_2i3j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a2e4h2i_bg2j_4i12j:Li-Mn-O, expected Li17Mn11O56 to be Li9Mn7O16" +mp-1100487,Li9Mn7O16,-7.1413734684,-2.1269537114,0.0411434367,0.0411434367,GGA+U,C2/m,A9B7C16_mC64_12_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_c5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100488,Li9Mn7O16,-7.1369269509,-2.1225071939,0.0455899542,0.0455899542,GGA+U,C2/m,A9B7C16_mC64_12_abcgj_dhj_2i3j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_abcg2j_dh2j_4i10j:Li-Mn-O, expected Li13Mn11O48 to be Li9Mn7O16" +mp-1100489,Li9Mn7O16,-7.1315769822,-2.1171572252,0.050939923,0.050939923,GGA+U,C2/m,A9B7C16_mC64_12_abcij_dij_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_abc2i2j_di2j_8i8j:Li-Mn-O, expected Li15Mn11O48 to be Li9Mn7O16" +mp-1100490,Li9Mn7O16,-7.1317572341,-2.117337477,0.0507596711,0.0507596711,GGA+U,C2/m,A9B7C16_mC64_12_abcij_dij_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_abc2i3j_di2j_8i8j:Li-Mn-O, expected Li19Mn11O48 to be Li9Mn7O16" +mp-1100491,Li9Mn7O16,-7.1326815563,-2.1182617992,0.0498353489,0.0498353489,GGA+U,C2/m,A9B7C16_mC64_12_aeh2i_bij_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_afh4i_bi2j_8i4j:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100492,Li9Mn7O16,-7.1579320688,-2.1435123117,0.0245848364,0.0245848364,GGA+U,C2/m,A9B7C16_mC64_12_afij_bg2h_2i3j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_aei2j_bg3h_4i10j:Li-Mn-O, expected Li13Mn9O48 to be Li9Mn7O16" +mp-1100493,Li9Mn7O16,-7.1402509816,-2.1258312245,0.0422659236,0.0422659236,GGA+U,C2/m,A9B7C16_mC64_12_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_d4i_15i:Li-Mn-O, expected Li13Mn9O30 to be Li9Mn7O16" +mp-1100494,Li9Mn7O16,-7.1429805828,-2.1285608258,0.0395363223,0.0395363223,GGA+U,C2/m,A9B7C16_mC64_12_a4i_c3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_c5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100495,Li9Mn7O16,-7.1377042338,-2.1232844767,0.0448126714,0.0448126714,GGA+U,C2/m,A9B7C16_mC64_12_aeh2i_bij_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a2f2h4i_b2i2j_8i8j:Li-Mn-O, expected Li17Mn13O48 to be Li9Mn7O16" +mp-1100496,Li9Mn7O16,-7.1426141381,-2.1281943811,0.039902767,0.039902767,GGA+U,C2/m,A9B7C16_mC64_12_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a7i_c4i_16i:Li-Mn-O, expected Li15Mn9O32 to be Li9Mn7O16" +mp-1100497,Li9Mn7O16,-7.1560493869,-2.1416296299,0.0264675183,0.0264675183,GGA+U,C2/m,A9B7C16_mC64_12_a2ij_behi_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a3i2j_bf2hi_8i8j:Li-Mn-O, expected Li5Mn3O16 to be Li9Mn7O16" +mp-1100498,Li9Mn7O16,-7.131837375,-2.117417618,0.0506795302,0.0506795302,GGA+U,C2/m,A9B7C16_mC64_12_a2ij_bcdj_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a3i2j_bcd2j_8i7j:Li-Mn-O, expected Li15Mn11O44 to be Li9Mn7O16" +mp-1100499,Li9Mn7O16,-7.1551796491,-2.140759892,0.0273372561,0.0273372561,GGA+U,C2/m,A9B7C16_mC64_12_a2ij_behi_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a2i2j_b2f2hi_8i7j:Li-Mn-O, expected Li13Mn11O44 to be Li9Mn7O16" +mp-1100500,Li9Mn7O16,-7.1328186959,-2.1183989389,0.0496982092,0.0496982092,GGA+U,C2/m,A9B7C16_mC64_12_aef2i_bcdj_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_aef4i_bcd2j_8i4j:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-1100505,Li9Mn7O16,-7.1552248256,-2.1408050686,0.0272920795,0.0272920795,GGA+U,C2/m,A9B7C16_mC64_12_a2ij_bcdef_4i2j:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a4ij_bcd2e2f_7i8j:Li-Mn-O, expected Li13Mn11O46 to be Li9Mn7O16" +mp-1100528,Li9Mn7O16,-7.0641703741,-2.049750617,0.1183465311,0.1183465311,GGA+U,C2/m,A9B7C16_mC64_12_a4i_d3i_8i:Li-Mn-O,32.0,"Invalid WP multiplicities - A9B7C16_mC64_12_a6i_c5i_16i:Li-Mn-O, expected Li13Mn11O32 to be Li9Mn7O16" +mp-531804,Li9Mn15O32,-7.6476660002,-2.0600843227,0.0083294708,0.0083294708,GGA+U,P1,A9B15C32_aP56_1_9a_15a_32a:Li-Mn-O,56.0,A9B15C32_aP56_1_9a_15a_32a:Li-Mn-O +mp-769450,Li9Mn15O32,-7.6500539002,-2.0624722227,0.0059415708,0.0059415708,GGA+U,P1,A9B15C32_aP56_1_9a_15a_32a:Li-Mn-O,56.0,A9B15C32_aP56_1_9a_15a_32a:Li-Mn-O +mp-767704,Li9Mn15O32,-7.6062639068,-2.0186822293,0.0497315642,0.0497315642,GGA+U,C2/m,A9B15C32_mC112_12_a2ij_bfhi2j_4i6j:Li-Mn-O,56.0,"Invalid WP multiplicities - A9B15C32_mC112_12_a3i2j_b2ehi5j_8i16j:Li-Mn-O, expected Li15Mn29O80 to be Li9Mn15O32" +mp-755817,Li8MnO6,-5.6870668773,-2.0794981778,0.03001458,0.03001458,GGA+U,R-3,A8BC6_hR45_148_cf_a_f:Li-Mn-O,15.0,"Invalid WP multiplicities - A8BC6_hR45_148_c2f_a_f:Li-Mn-O, expected Li14MnO6 to be Li8MnO6" +mp-771075,Li8MnO6,-5.6401868673,-2.0326181678,0.07689459,0.07689459,GGA+U,P6_3cm,A8BC6_hP30_185_b2c_a_abc:Li-Mn-O,30.0,"Invalid WP multiplicities - A8BC6_hP30_185_2b9c_a_a3b3c:Li-Mn-O, expected Li31MnO16 to be Li8MnO6" +mp-770710,Li3Mn7O16,-7.6184965946,-1.8874237091,0.034719451,0.034719451,GGA+U,R3m,A3B7C16_hR78_160_3a_a2b_4a4b:Li-Mn-O,26.0,"Invalid WP multiplicities - A3B7C16_hR78_160_3a_a5b_4a7b:Li-Mn-O, expected Li3Mn16O25 to be Li3Mn7O16" +mp-674422,Li11Mn11O26,-7.0820854435,-1.8655390636,0.2497625985,0.2497625985,GGA+U,Cm,A11B11C26_mC96_8_11a_11a_26a:Li-Mn-O,48.0,A11B11C26_mC96_8_11a_11a_26a:Li-Mn-O +mp-1209182,RbY2Cl7,-5.3659416983,-2.6806184063,0.0,-0.0165097137,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Y,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Rb-Y +mp-1209433,Rb2YCl5,-4.7466176416,-2.5378398218,0.0104758233,0.0104758233,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Rb-Y,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Rb-Y +mp-574571,Rb3YCl6,-4.5541440537,-2.5042147247,0.0,-0.0249683645,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-Rb-Y,40.0,"Invalid WP multiplicities - A6B3C_mC80_15_19f_8f_ae:Cl-Rb-Y, expected Rb8YCl19 to be Rb3YCl6" +mp-1110724,Rb3YCl6,-4.497100715,-2.4471713859,0.0570433387,0.0320749742,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Rb-Y,10.0,A6B3C_cF40_225_e_ac_b:Cl-Rb-Y +mp-1110679,Rb2LiYCl6,-4.603856711,-2.4610885025,0.0049488704,0.0049488704,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-Y +mp-1110782,K2RbCeBr6,-3.938134684,-2.0928755738,0.1145692349,0.1145692349,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Rb +mp-541031,BaCrF5,-6.5963942182,-3.57790604,0.0,-0.0551700904,GGA+U,P2_12_12_1,ABC5_oP28_19_a_a_5a:Ba-Cr-F,28.0,ABC5_oP28_19_a_a_5a:Ba-Cr-F +mp-1215001,Ba3CrF12,-5.2461118169,-2.8493793231,0.3966307556,0.3966307556,GGA+U,C2/m,A3BC12_mC32_12_ce_a_3j:Ba-Cr-F,16.0,"Invalid WP multiplicities - A3BC12_mC32_12_ae_d_10j:Ba-Cr-F, expected Ba3CrF40 to be Ba3CrF12" +mp-1049253,Ba2Cr2F11,-6.2208512458,-3.2761636816,0.1604392681,0.1604392681,GGA+U,P3_2,A2B2C11_hP45_145_2a_2a_11a:Ba-Cr-F,45.0,"Invalid WP multiplicities - A2B2C11_hP45_145_5a_5a_31a:Ba-Cr-F, expected Ba5Cr5F31 to be Ba2Cr2F11" +mp-1048114,BaCrF7,-5.720625265,-2.9481391336,0.0216363406,0.0216363406,GGA+U,P2_1/c,ABC7_mP36_14_e_e_7e:Ba-Cr-F,36.0,"Invalid WP multiplicities - ABC7_mP36_14_e_e_23e:Ba-Cr-F, expected BaCrF23 to be BaCrF7" +mp-1180673,Li2CrF6,-5.7169632511,-2.945878028,0.0019369728,-0.0711936997,GGA+U,P2_1/c,AB6C2_mP18_14_a_3e_e:Cr-F-Li,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_8e_e:Cr-F-Li, expected Li2CrF16 to be Li2CrF6" +mp-555112,Li2CrF6,-5.7189002239,-2.9478150007,0.0,-0.0731306725,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cr-F-Li,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_3f3j_e:Cr-F-Li, expected Li2CrF18 to be Li2CrF6" +mp-1214706,Ba2CrF6,-6.4498411394,-3.6765221222,0.0409558961,0.0409558961,GGA+U,Cmce,A2BC6_oC36_64_d_a_def:Ba-Cr-F,18.0,A2BC6_oC36_64_d_a_def:Ba-Cr-F +mp-559246,BaCrF6,-6.1930747725,-3.3129627456,0.0,-0.0893005905,GGA+U,R-3m,ABC6_hR24_166_a_b_h:Ba-Cr-F,8.0,ABC6_hR24_166_a_b_h:Ba-Cr-F +mp-754188,Li3CrF6,-5.799861472,-3.1149924845,0.039182181,0.0012942045,GGA+U,Pc,AB6C3_mP20_7_a_6a_3a:Cr-F-Li,20.0,"Invalid WP multiplicities - AB6C3_tP20_118_c_2f3i_2a3h:Cr-F-Li, expected Li8CrF16 to be Li3CrF6" +mp-561396,Li3CrF6,-5.839043653,-3.1541746655,0.0,-0.0378879765,GGA+U,C2/c,AB6C3_mC120_15_af_9f_e4f:Cr-F-Li,60.0,"Invalid WP multiplicities - AB6C3_mC120_15_cf_16f_e5f:Cr-F-Li, expected Li11Cr3F32 to be Li3CrF6" +mp-769881,Li3CrF6,-5.801154325,-3.1162853375,0.037889328,1.3515e-06,GGA+U,P-4n2,AB6C3_tP20_118_c_fi_ah:Cr-F-Li,20.0,"Invalid WP multiplicities - AB6C3_tP20_118_c_2f3i_2a3h:Cr-F-Li, expected Li8CrF16 to be Li3CrF6" +mp-1111688,Li3CrF6,-5.637227702,-2.9523587145,0.201815951,0.1639279745,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Cr-F-Li,10.0,AB6C3_cF40_225_a_e_bc:Cr-F-Li +mp-759949,LiCrF4,-6.2648203431,-3.0635059753,0.0407243169,0.0407243169,GGA+U,C2/c,AB4C_mC96_15_2f_2e7f_2f:Cr-F-Li,48.0,"Invalid WP multiplicities - AB4C_mC96_15_3f_4e26f_3f:Cr-F-Li, expected Li3Cr3F28 to be LiCrF4" +mp-10250,BaLiF3,-5.65533203,-3.7428650882,0.02190322,0.02190322,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-F-Li,5.0,AB3C_cP5_221_a_c_b:Ba-F-Li +mp-560949,BaLiCrF6,-6.2660416525,-3.4938395323,0.0,-0.0074804794,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Ba-Cr-F-Li,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_20e_e:Ba-Cr-F-Li, expected BaLiCrF20 to be BaLiCrF6" +mp-1204444,Ba5Cr3F18,-6.4995237049,-3.6933453,0.0004985103,0.0004985103,GGA+U,I4_1/a,A5B3C18_tI416_88_5f_2e2f_18f:Ba-Cr-F,208.0,A5B3C18_tI416_88_5f_2e2f_18f:Ba-Cr-F +mp-764423,Li2CrF4,-5.9725095154000005,-2.9558225049,0.0637740475,0.0637740475,GGA+U,Pm,AB4C2_mP28_6_2a2b_8a8b_4a4b:Cr-F-Li,28.0,AB4C2_mP28_6_2a2b_8a8b_4a4b:Cr-F-Li +mp-850914,Li4CrF6,-5.6299472053,-3.0156187742,0.0571952492,0.0571952492,GGA+U,C2,AB6C4_mC132_5_3c_18c_2a2b10c:Cr-F-Li,66.0,"Invalid WP multiplicities - AB6C4_mC132_5_5c_36c_2a2b20c:Cr-F-Li, expected Li22Cr5F36 to be Li4CrF6" +mp-753824,Li4CrF6,-5.6446357286,-3.0303072976,0.0425067259,0.0425067259,GGA+U,P2_1/c,AB6C4_mP22_14_a_3e_2e:Cr-F-Li,22.0,"Invalid WP multiplicities - AB6C4_mP22_14_a_9e_7e:Cr-F-Li, expected Li14CrF18 to be Li4CrF6" +mp-3622,Na2PdF4,-4.5790241671,-2.3689029862,0.0,-0.0277860381,GGA,P2_1/c,A4B2C_mP14_14_2e_e_a:F-Na-Pd,14.0,A4B2C_mP14_14_2e_e_a:F-Na-Pd +mp-1114237,Na2LiPdF6,-4.526738,-2.4064650931,0.1069190243,0.1069190243,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Pd,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Pd +mp-686372,Na17Pd15F48,-4.5359697811,-2.1368179363,0.0134890979,0.0134890979,GGA,P1,A48B17C15_aP160_1_96a_34a_30a:F-Na-Pd,160.0,A48B17C15_aP160_1_96a_34a_30a:F-Na-Pd +mp-13985,Li2PdF6,-4.6406578211,-2.3665910046,0.0,-0.1267731911,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Pd,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:F-Li-Pd, expected Li2PdF10 to be Li2PdF6" +mp-1210356,Na2PdF6,-4.4794876952,-2.3357314505,0.0,-0.1969941007,GGA,P321,A6B2C_hP27_150_3g_ef_ad:F-Na-Pd,27.0,A6B2C_hP27_150_3g_ef_ad:F-Na-Pd +mp-1111069,Li3PdF6,-4.5328502660000005,-2.2952978445,0.251934463,0.251934463,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Pd,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Pd +mp-1210235,Na3Pd5F12,-4.4919424565,-1.8517058295,0.0403556822,0.0403556822,GGA,C2/m,A12B3C5_mC40_12_4ij_ah_bei:F-Na-Pd,20.0,A12B3C5_mC40_12_4ij_ah_bfi:F-Na-Pd +mp-1220961,NaPdF3,-4.542102643,-2.0947338418,0.0074244637,0.0074244637,GGA,P-1,A3BC_aP20_2_6i_abi_cgi:F-Na-Pd,20.0,"Invalid WP multiplicities - A3BC_aP20_2_8i_abi_cgi:F-Na-Pd, expected NaPdF4 to be NaPdF3" +mp-1377793,NaPdF3,-3.170957309,-0.7235885078000001,1.3785697977,1.3785697977,GGA,P-1,A3BC_aP20_2_6i_agi_bci:F-Na-Pd,20.0,"Invalid WP multiplicities - A3BC_aP20_2_8i_agi_bci:F-Na-Pd, expected NaPdF4 to be NaPdF3" +mp-1114262,Na3PdF6,-4.398363692,-2.3367305425,0.1311673663,0.1311673663,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Pd,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Pd +mp-28872,RbBrO3,-4.545229842,-1.0705041347,0.0,-0.094174975,GGA,R3m,AB3C_hR15_160_a_b_a:Br-O-Rb,5.0,AB3C_hR15_160_a_b_a:Br-O-Rb +mp-754717,RbBrO4,-4.5748024433,-0.8547495688000001,0.0373372102,0.0373372102,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Br-O-Rb,12.0,AB4C_tI24_88_a_f_b:Br-O-Rb +mp-975236,RbPtO3,-5.268046396,-0.8896996907,0.160222984,0.160222984,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pt-Rb,5.0,A3BC_cP5_221_c_b_a:O-Pt-Rb +mp-30004,Rb4Br2O,-3.3950703914,-1.6843730112,0.0015706371,0.0015706371,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Br-O-Rb,7.0,A2BC4_tI14_139_e_a_ce:Br-O-Rb +mp-30005,Rb6Br4O,-3.3858581936,-1.8365848785,0.0,-0.0117855155,GGA,R-3c,A4BC6_hR66_167_ae_b_f:Br-O-Rb,22.0,A4BC6_hR66_167_ae_b_f:Br-O-Rb +mp-1202208,Rb2PtBr4O,-3.43130729,-1.032431853,0.3758289647,0.3758289647,GGA,Pnma,A4BCD2_oP32_62_2cd_c_c_d:Br-O-Pt-Rb,32.0,A4BCD2_oP32_62_2cd_c_c_d:Br-O-Pt-Rb +mp-30055,Rb3BrO,-3.405707554,-1.5174437022,0.002794593,0.002794593,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Br-O-Rb,5.0,ABC3_cP5_221_a_b_c:Br-O-Rb +mp-1281202,NiPtO2,-6.3786906094,-0.9425287537,0.0369647345,0.0369647345,GGA+U,P2/c,AB2C_mP8_13_e_g_f:Ni-O-Pt,16.0,AB2C_hR12_166_a_c_b:Ni-O-Pt +mp-1101675,NiPtO2,-6.38374669,-0.9475848344,0.0319086539,0.0319086539,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Ni-O-Pt,4.0,AB2C_hR12_166_a_c_b:Ni-O-Pt +mp-1209897,Ni(PtO2)3,-6.350407344,-0.9830404532,0.0009693657,-0.032314654,GGA+U,Pbam,AB6C3_oP20_55_a_2gh_ch:Ni-O-Pt,20.0,AB6C3_oP20_55_a_2gh_ch:Ni-O-Pt +mp-1272688,Ni(PtO2)3,-6.3513767097,-0.984009819,0.0,-0.0332840198,GGA+U,Cmmm,AB6C3_oC20_65_a_hp_bf:Ni-O-Pt,40.0,AB6C3_oC20_65_a_hp_bf:Ni-O-Pt +mp-756148,Sm2Pt2O7,-7.5031790136,-2.3935190237,0.0,-0.1318565572,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Sm,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pt-Sm, expected SmPtO10 to be Sm2Pt2O7" +mp-1099625,Sm2Ni2O5,-7.632677775,-2.5514678654000003,0.1361393574,0.1361393574,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Ni-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Ni-O-Sm +mp-1220535,Ni(Pt3O4)4,-6.2137021603,-0.7729864397,0.0656866294,0.0656866294,GGA+U,Pmmm,AB16C12_oP29_47_a_2A_jl2ou:Ni-O-Pt,29.0,"Invalid WP multiplicities - AB16C12_oP29_47_a_16A_2j2l4o2u:Ni-O-Pt, expected Ni(Pt3O16)8 to be Ni(Pt3O4)4" +mp-765360,Ni(Pt3O4)4,-6.1543658017,-0.713650081,0.125022988,0.125022988,GGA+U,Fm-3,AB16C12_cF116_202_a_2f_h:Ni-O-Pt,29.0,"Invalid WP multiplicities - AB16C12_cF116_202_a_9f_h:Ni-O-Pt, expected Ni(PtO6)12 to be Ni(Pt3O4)4" +mp-1186112,NiPtO3,-5.13982303,0.1984441967,1.242403567,1.242403567,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ni-O-Pt,5.0,AB3C_cP5_221_a_c_b:Ni-O-Pt +mp-22495,SmNiO3,-7.521469401,-2.4537116112,0.0,-0.0335310455,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Sm +mp-1099668,SmNiO3,-7.399777066,-2.3320192763,0.121692335,0.0881612895,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Sm,5.0,AB3C_cP5_221_b_c_a:Ni-O-Sm +mp-1208922,Sm2NiPtO6,-7.6141075045,-2.5172500507,0.0086086626,0.0086086626,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ni-O-Pt-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Ni-O-Pt-Sm +mp-1245816,CaMnN2,-7.7494299534,-0.7892786979,0.0701137956,0.0701137956,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ca-Mn-N,64.0,ABC2_oP64_61_2c_2c_4c:Ca-Mn-N +mp-1246377,CaMnN2,-7.7148705575,-0.754719302,0.1046731916,0.1046731916,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ca-Mn-N,8.0,ABC2_hP8_194_c_a_f:Ca-Mn-N +mp-5515,Li7MnN4,-5.3357357975,-0.6798645426000001,0.0,-0.1756380927,GGA,P-43n,A7BC4_cP96_218_bcefi_ad_ei:Li-Mn-N,96.0,A7BC4_cP96_218_bcefi_ad_ei:Li-Mn-N +mp-1245623,LiMn2N3,-8.03109553,-0.490689159,0.0210449015,0.0210449015,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Li-Mn-N,12.0,AB2C3_oC24_36_a_b_ab:Li-Mn-N +mp-1247014,Ca9(MnN4)2,-6.3730454053,-0.9484986208,0.0620772582,0.0620772582,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Ca-Mn-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Ca-Mn-N +mp-1246243,Ca8Mn3N8,-6.7737992774,-0.9725990502,0.0353659755,0.0353659755,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Ca-Mn-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Ca-Mn-N +mp-1245405,Ca7(MnN3)2,-6.2584868987,-0.7663402791,0.2068155166,0.2068155166,GGA,C2/m,A7B2C6_mC30_12_ahj_i_ij:Ca-Mn-N,15.0,A7B2C6_mC30_12_ahj_i_ij:Ca-Mn-N +mp-1374435,Ca11(MnN5)2,-6.3128423591,-0.9323824237,0.0566358713,0.0566358713,GGA,Cm,A11B2C10_mC46_8_3a4b_2a_2a4b:Ca-Mn-N,23.0,"Invalid WP multiplicities - A11B2C10_mC46_8_3a8b_2a_2a8b:Ca-Mn-N, expected Ca19(MnN9)2 to be Ca11(MnN5)2" +mp-1069755,Li2CaN2,-4.785130304,-0.2858432113,0.350217995,0.350217995,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Li-N,5.0,AB2C2_hP5_164_a_d_d:Ca-Li-N +mp-1385829,Ca(MnN)2,-7.654233634,-0.2537095712,0.4709455848,0.4709455848,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Ca-Mn-N,5.0,AB2C2_tP5_115_a_f_g:Ca-Mn-N +mp-1210748,Li2MnN,-5.696390685,-0.3673016974,0.1425967096,0.1425967096,GGA,P6/mmm,A2BC_hP4_191_c_b_a:Li-Mn-N,4.0,A2BC_hP4_191_c_b_a:Li-Mn-N +mp-1246717,Ca3(MnN2)2,-7.2556539056,-0.8460083584,0.0889844819,0.0889844819,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Mn-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-Mn-N +mp-1246021,Ca3(MnN2)2,-7.3140336008,-0.9043880537,0.0306047867,0.0306047867,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ca-Mn-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ca-Mn-N +mp-1222676,Li2Mn4N3,-7.7507761339,-0.4757326143,0.0332326315,0.0332326315,GGA,P2_1/c,A2B4C3_mP18_14_e_2e_ae:Li-Mn-N,18.0,"Invalid WP multiplicities - A2B4C3_mP18_14_e_7e_2a2e:Li-Mn-N, expected LiMn7N3 to be Li2Mn4N3" +mp-1398431,Ca5(MnN3)2,-6.9451733815,-0.9166349558,0.0910988737,0.0910988737,GGA,Pm,A5B2C6_mP13_6_2a3b_ab_3a3b:Ca-Mn-N,13.0,A5B2C6_mP13_6_2a3b_ab_3a3b:Ca-Mn-N +mp-1222566,Li9Mn3N4,-5.27282956,-0.397058849,0.112839558,0.112839558,GGA,C2/m,A9B3C4_mC32_12_a4i_di_2i:Li-Mn-N,16.0,"Invalid WP multiplicities - A9B3C4_mC32_12_a8i_c2i_2i:Li-Mn-N, expected Li17Mn5N4 to be Li9Mn3N4" +mp-1210783,Li2Ca(MnN)2,-6.3478184379,-0.5163232882000001,0.1170353638,0.1170353638,GGA,P4/mbm,AB2C2D2_tP14_127_a_g_h_g:Ca-Li-Mn-N,14.0,AB2C2D2_tP14_127_a_g_h_g:Ca-Li-Mn-N +mp-1029959,Ca2MnN3,-7.3502481338,-0.9864648292,0.0,-0.0889082935,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ca-Mn-N,24.0,A2BC3_oC48_64_2f_f_e2f:Ca-Mn-N +mp-1245948,Ca(MnN)4,-8.5130856556,-0.5131255725,0.1110467931,0.1110467931,GGA,Pa-3,AB4C4_cP108_205_ac_2d_2d:Ca-Mn-N,108.0,AB4C4_cP108_205_ac_2d_2d:Ca-Mn-N +mp-1222475,Li7Mn2N3,-5.0977125883,-0.3730479695,0.1368504374,0.1368504374,GGA,P6/mmm,A7B2C3_hP12_191_bj_d_ac:Li-Mn-N,12.0,A7B2C3_hP12_191_bj_d_ac:Li-Mn-N +mp-31468,LiCaN,-4.8523135833,-0.7686410261000001,0.0,-0.0470696447,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Li-N,12.0,ABC_oP12_62_c_c_c:Ca-Li-N +mp-1245419,Li3MnN2,-5.7228580679,-0.4625624442,0.1778637991,0.1778637991,GGA,I4_1/amd,A3BC2_tI48_141_eg_e_h:Li-Mn-N,24.0,A3BC2_tI48_141_eg_e_h:Li-Mn-N +mp-1246635,Li3MnN2,-5.8057022223,-0.5454065986000001,0.0950196447,0.0950196447,GGA,Ia-3,A3BC2_cI96_206_e_c_ad:Li-Mn-N,48.0,A3BC2_cI96_206_e_c_ad:Li-Mn-N +mp-1246381,Ca7MnN6,-6.1666642298,-0.9366510868,0.0449784642,0.0449784642,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ca-Mn-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ca-Mn-N +mp-1247294,Ca4MnN4,-6.5484492206,-0.9339609414,0.0625934957,0.0625934957,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ca-Mn-N,18.0,A4BC4_aP18_2_4i_i_4i:Ca-Mn-N +mp-1246091,Ca4MnN4,-6.5920300964,-0.9775418173,0.0190126199,0.0190126199,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:Ca-Mn-N,36.0,A4BC4_oP36_62_4c_c_4c:Ca-Mn-N +mp-1246000,LiMnN2,-7.4547437375,-0.5187617353,0.0097516122,0.0097516122,GGA,I-42d,ABC2_tI16_122_a_b_d:Li-Mn-N,8.0,ABC2_tI16_122_a_b_d:Li-Mn-N +mp-17577,Ca6MnN5,-6.2414400075,-1.0015992411,0.0,-0.0142056431,GGA,P6_3/mcm,A6BC5_hP24_193_k_a_dg:Ca-Mn-N,24.0,"Invalid WP multiplicities - A6BC5_hP24_193_k_a_d2g:Ca-Mn-N, expected Ca6MnN8 to be Ca6MnN5" +mp-1246495,Ca(Mn5N4)2,-8.85226743,-0.4144931036,0.1093506818,0.1093506818,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Ca-Mn-N,19.0,AB10C8_mC38_12_a_5i_4i:Ca-Mn-N +mp-1246584,Li2Ca5N4,-5.0672454345,-0.7770795406000001,0.0664494161,0.0664494161,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-Li-N,44.0,A5B2C4_tP44_130_cg_f_g:Ca-Li-N +mp-1196939,Li2Ca3N6,-6.0970197634,-0.6557820431,0.038340127,0.038340127,GGA,Pmma,A3B2C6_oP44_51_ef2k_gh_6k:Ca-Li-N,44.0,"Invalid WP multiplicities - A3B2C6_oC44_63_cg_e_5g:Ca-Li-N, expected Li2Ca3N10 to be Li2Ca3N6" +mp-1020010,Li2Ca3N6,-6.096682195,-0.6554444747,0.0386776955,0.0386776955,GGA,Cmcm,A3B2C6_oC44_63_cg_e_3g:Ca-Li-N,22.0,A3B2C6_oC44_63_cg_e_3g:Ca-Li-N +mp-14763,Ca3MnN3,-6.7671500736,-1.0259644011,0.0,-0.0422373313,GGA,Cmcm,A3BC3_oC28_63_cg_c_cg:Ca-Mn-N,14.0,"Invalid WP multiplicities - A3BC3_oC28_63_2c3g_c_c2g:Ca-Mn-N, expected Ca8MnN5 to be Ca3MnN3" +mp-1245862,Li2MnN2,-6.4282117787,-0.4976416036,0.1116148888,0.1116148888,GGA,C2/m,A2BC2_mC30_12_ij_ah_ij:Li-Mn-N,15.0,A2BC2_mC30_12_ij_ah_ij:Li-Mn-N +mp-1247418,Li2MnN2,-6.506667156,-0.5760969809,0.0331595114,0.0331595114,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Li-Mn-N,5.0,A2BC2_hP5_164_d_a_d:Li-Mn-N +mp-569112,Li3CaMnN3,-6.0367206944,-0.798737126,0.0,-0.0193121837,GGA,R-3,AB3CD3_hR48_148_c_f_c_f:Ca-Li-Mn-N,16.0,AB3CD3_hR48_148_c_f_c_f:Ca-Li-Mn-N +mp-1247150,LiMn6N7,-8.5163960709,-0.2852189927,0.2073387397,0.2073387397,GGA,P2/c,AB6C7_mP56_13_g_ef5g_ae6g:Li-Mn-N,56.0,AB6C7_mP56_13_g_ef5g_af6g:Li-Mn-N +mp-674982,Li19Mn5N9,-5.1940771542,-0.4332266921,0.1230261155,0.1230261155,GGA,C2,A19B5C9_mC66_5_a9c_b2c_a4c:Li-Mn-N,33.0,"Invalid WP multiplicities - A19B5C9_mC66_5_a16c_b3c_a7c:Li-Mn-N, expected Li33Mn7N15 to be Li19Mn5N9" +mp-1446497,Ca2MnN2,-6.868153444,-0.8989124636,0.0586543108,0.0586543108,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ca-Mn-N,10.0,A2BC2_mC20_12_2i_i_2i:Ca-Mn-N +mp-1246674,LiMnN,-6.6599496633,-0.1908053021,0.3707443427,0.3707443427,GGA,Amm2,ABC_oC6_38_a_b_a:Li-Mn-N,3.0,ABC_oC6_38_a_b_a:Li-Mn-N +mp-1247481,LiMnN,-6.8268955283,-0.3577511671,0.2037984777,0.2037984777,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Mn-N,12.0,ABC_oP12_62_c_c_c:Li-Mn-N +mp-1245450,Ca8(MnN3)3,-6.9221119666,-0.9941470046,0.019967525,0.019967525,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Ca-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Ca-Mn-N +mp-1222464,Li6Mn2N3,-5.3755129782,-0.3948718364,0.1613809711,0.1613809711,GGA,Amm2,A6B2C3_oC22_38_ab2d_e_ad:Li-Mn-N,11.0,A6B2C3_oC22_38_ab2d_e_ad:Li-Mn-N +mp-1247492,Ca5MnN4,-5.927430374,-0.6738309348,0.3071193715,0.3071193715,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Mn-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Mn-N +mp-1245445,Ca3Mn3N5,-7.7121309509,-0.8771018472000001,0.0,-0.0127374465,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Mn-N +mp-636978,KCuCl3,-3.592185965,-1.4411428456,0.021944369,0.012236747,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Cu-K,20.0,"Invalid WP multiplicities - A3BC_mP20_14_10e_e_e:Cl-Cu-K, expected KCuCl10 to be KCuCl3" +mp-27450,KCuCl3,-3.614130334,-1.4630872146,0.0,-0.009707622,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Cu-K,20.0,"Invalid WP multiplicities - A3BC_mP20_14_6e_e_e:Cl-Cu-K, expected KCuCl6 to be KCuCl3" +mp-1023129,KCuCl3,-3.600206768,-1.4491636486,0.013923566,0.004215944,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Cu-K,5.0,A3BC_cP5_221_c_b_a:Cl-Cu-K +mp-569952,K2CuCl3,-3.7233167829,-1.7457143589,0.0,-0.0069775654,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Cl-Cu-K,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_6c_c_8c:Cl-Cu-K, expected K8CuCl6 to be K2CuCl3" +mp-1212054,K3PrCl6,-4.3851243577,-2.4647921022,0.0271446813,0.0271446813,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Pr,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Pr +mp-1110881,K3PrCl6,-4.3099333810000005,-2.3896011254,0.102335658,0.102335658,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Pr,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Pr +mp-1212639,K2CuCl4,-3.6140431125,-1.6548786548,0.0353934246,0.0353934246,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Cl-Cu-K,28.0,A4BC2_oP28_62_2cd_c_2c:Cl-Cu-K +mp-1112220,K2PrCuCl6,-4.295014994,-2.0758019661,0.102009443,0.102009443,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Pr,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Pr +mp-569967,K2PrCl5,-4.5809107875,-2.5503624189,0.0,-0.0366824952,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Pr,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_9c5d_d_c:Cl-K-Pr, expected K2PrCl19 to be K2PrCl5" +mp-1205674,Ba2ScOsO6,-7.989197144,-2.8814052758,0.0,-0.0712418211,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Sc +mp-755403,Ba2Sc2O5,-7.99977888,-3.4179642526,0.0901860139,0.0799457368,GGA,C2/c,A2B5C2_mC36_15_f_acef_f:Ba-O-Sc,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_2a2c2e2f_f:Ba-O-Sc, expected BaScO5 to be Ba2Sc2O5" +mp-755950,Ba2Sc2O5,-8.0899648939,-3.5081502665,0.0,-0.010240277,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Ba-O-Sc,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a4g2h_g:Ba-O-Sc, expected BaScO7 to be Ba2Sc2O5" +mp-770936,Ba2Sc2O5,-8.0829415631,-3.5011269357,0.0070233308,-0.0032169462,GGA,Pnma,A2B5C2_oP36_62_d_c2d_ac:Ba-O-Sc,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_d_4c5d_2a2c:Ba-O-Sc, expected BaSc2O7 to be Ba2Sc2O5" +mp-863021,Ba2Sc2O5,-8.0628090233,-3.480994396,0.0271558706,0.0169155935,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Ba-O-Sc,9.0,A2B5C2_tP9_123_ab_ci_h:Ba-O-Sc +mp-1183289,BaScO3,-7.826176444,-3.2078744082,0.0267010692,0.0267010692,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Sc,5.0,AB3C_cP5_221_a_c_b:Ba-O-Sc +mp-3564,BaSc2O4,-8.600471456,-3.6903760281,0.0,-0.0174594221,GGA,C2/c,AB4C2_mC84_15_ef_ae5f_3f:Ba-O-Sc,42.0,"Invalid WP multiplicities - AB4C2_mC84_15_ef_ce6f_3f:Ba-O-Sc, expected Ba3Sc6O14 to be BaSc2O4" +mp-770836,Ba5Sc6O14,-8.1725291144,-3.4987958629,0.0603776169,0.0603776169,GGA,Cmc2_1,A5B14C6_oC100_36_a2b_4a5b_2a2b:Ba-O-Sc,50.0,"Invalid WP multiplicities - A5B14C6_oC100_36_a4b_8a10b_4a4b:Ba-O-Sc, expected Ba9Sc12O28 to be Ba5Sc6O14" +mp-1207222,Rb2VCl6,-4.4150829433,-1.9555058128,0.0,-0.0476903658,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-V,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-V +mp-570445,RbNb3VCl11,-5.5126423333,-1.7187511756,0.0583810209,0.0583810209,GGA,Pnma,A11B3CD_oP64_62_5c3d_cd_c_c:Cl-Nb-Rb-V,64.0,"Invalid WP multiplicities - A11B3CD_oP64_62_19c19d_4c4d_c_c:Cl-Nb-Rb-V, expected RbNb12VCl57 to be RbNb3VCl11" +mp-23319,RbVCl3,-4.993331596,-1.8713215715,0.0,-0.035496056,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Rb-V,10.0,A3BC_hP10_194_h_c_a:Cl-Rb-V +mp-9884,KFeSe2,-5.0332025637,-0.8901417857,0.0005402646,0.0005402646,GGA,C2/c,ABC2_mC16_15_e_e_f:Fe-K-Se,8.0,ABC2_mC16_15_e_e_f:Fe-K-Se +mp-7435,KCuSe,-3.73936706,-0.8375280284000001,0.0,-0.0189043433,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-K-Se,6.0,ABC_hP6_194_c_a_d:Cu-K-Se +mp-1224651,K3(FeSe)8,-5.8580835368,-0.6444699399,0.0261818397,0.0261818397,GGA,P-1,A8B3C8_aP19_2_4i_ai_4i:Fe-K-Se,19.0,"Invalid WP multiplicities - A8B3C8_aP19_2_8i_a2i_8i:Fe-K-Se, expected K5(FeSe)16 to be K3(FeSe)8" +mp-21960,K9Fe2Se7,-3.9195204508,-1.0636863794,0.0520620417,0.0520620417,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-K-Se,72.0,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-K-Se +mp-1095516,KFe2Se3,-5.4918648933,-0.73550226,0.0275920272,0.0275920272,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Fe-K-Se,12.0,A2BC3_oC24_63_e_c_cg:Fe-K-Se +mp-1223485,KFeCuSe2,-4.80619615,-0.6719061935,0.0457031048,0.0457031048,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Cu-Fe-K-Se,5.0,ABCD2_tI10_119_a_b_c_f:Cu-Fe-K-Se +mp-541998,K3(FeSe2)2,-4.7704354328,-0.9643370804,0.0,-0.0104981222,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-K-Se,36.0,A2B3C4_oP36_62_d_cd_2cd:Fe-K-Se +mp-10092,KCu4Se3,-4.0362247512,-0.5368547438,0.0144932428,0.0144932428,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-K-Se,8.0,A4BC3_tP8_123_i_a_bh:Cu-K-Se +mp-567657,K(CuSe)2,-3.981298394,-0.7211713455000001,0.0,-0.0427845751,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-K-Se,5.0,A2BC2_tI10_139_d_a_e:Cu-K-Se +mp-4647,K3(Cu4Se3)2,-3.9830551547,-0.6242128567,0.0121148012,0.0121148012,GGA,C2/m,A8B3C6_mC34_12_4i_ai_3i:Cu-K-Se,17.0,"Invalid WP multiplicities - A8B3C6_mC34_12_7i_a2i_4i:Cu-K-Se, expected K5(Cu7Se4)2 to be K3(Cu4Se3)2" +mp-1224406,K2(FeSe)5,-5.8242006371,-0.6533288594000001,0.0263636435,0.0263636435,GGA,I4/m,A5B2C5_tI48_87_di_h_ei:Fe-K-Se,24.0,"Invalid WP multiplicities - A5B2C5_tI48_87_2d2i_h_2e3i:Fe-K-Se, expected KFe5Se7 to be K2(FeSe)5" +mp-1070735,K(FeSe)2,-5.689712436,-0.6812595715,0.0327876797,0.0327876797,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-K-Se,5.0,A2BC2_tI10_139_d_a_e:Fe-K-Se +mp-541997,K3FeSe3,-4.2607039579,-1.0765678887,0.0,-0.0195914761,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-K-Se,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_10e:Fe-K-Se, expected K9FeSe10 to be K3FeSe3" +mp-1186755,SrTaO3,-8.959535526,-3.2820680826,0.05924081,0.05924081,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Ta,5.0,A3BC_cP5_221_c_a_b:O-Sr-Ta +mp-675061,Sr24Ta8O43,-7.916567910699999,-3.274998864,0.0523340567,0.0523340567,GGA,P1,A43B24C8_aP75_1_43a_24a_8a:O-Sr-Ta,75.0,A43B24C8_aP75_1_43a_24a_8a:O-Sr-Ta +mp-769297,Sr5Ta4O15,-8.8841497175,-3.4641951985,0.0163348979,0.0149121294,GGA,P-3m1,A15B5C4_hP24_164_e2i_a2d_cd:O-Sr-Ta,24.0,"Invalid WP multiplicities - A15B5C4_hP24_164_3e10i_a4d_c2d:O-Sr-Ta, expected Sr3Ta2O23 to be Sr5Ta4O15" +mp-769582,Sr5Ta4O15,-8.9004846154,-3.4805300964,0.0,-0.0014227685,GGA,P-3c1,A15B5C4_hP48_165_f2g_a2d_cd:O-Sr-Ta,48.0,"Invalid WP multiplicities - A15B5C4_hP48_165_3f14g_a8d_c2d:O-Sr-Ta, expected Sr17Ta6O93 to be Sr5Ta4O15" +mp-13664,Sr2Ta2O7,-9.1134547145,-3.5024217013,2.80805e-05,-0.0190921509,GGA,Cmc2_1,A7B2C2_oC44_36_7a_2a_2a:O-Sr-Ta,22.0,A7B2C2_oC44_36_7a_2a_2a:O-Sr-Ta +mp-12286,Sr2Ta2O7,-9.113482795,-3.5024497818,0.0,-0.0191202314,GGA,Cmcm,A7B2C2_oC44_63_a2c2f_2c_2c:O-Sr-Ta,22.0,A7B2C2_oC44_63_a2c2f_2c_2c:O-Sr-Ta +mp-558781,ScTaO4,-9.9835949592,-3.6540946958,0.0,-0.0538575889,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Sc-Ta,12.0,"Invalid WP multiplicities - A4BC_mP12_13_7g_e_f:O-Sc-Ta, expected ScTaO14 to be ScTaO4" +mp-674423,Sr20Ta8O39,-8.1324380424,-3.332841776,0.0242948374,0.0242948374,GGA,P1,A39B20C8_aP67_1_39a_20a_8a:O-Sr-Ta,67.0,A39B20C8_aP67_1_39a_20a_8a:O-Sr-Ta +mp-1187191,SrScO3,-7.760309614,-3.1879038756,0.0912574673,0.0912574673,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sc-Sr,5.0,A3BC_cP5_221_c_b_a:O-Sc-Sr +mp-722557,SrTa2O7,-8.660155573,-2.6569686038,0.4847466811,0.4847466811,GGA,P4/mmm,A7BC2_tP10_123_agi_c_g:O-Sr-Ta,10.0,A7BC2_tP10_123_agi_c_g:O-Sr-Ta +mp-1091368,SrTa2O7,-8.835450774,-2.8322638048,0.3094514801,0.3094514801,GGA,I4/mmm,A7BC2_tI20_139_aeg_b_e:O-Sr-Ta,10.0,A7BC2_tI20_139_aeg_b_e:O-Sr-Ta +mp-769252,Sr3Ta2O8,-8.6604065319,-3.4021338158,0.0580977549,0.0580977549,GGA,C2/c,A8B3C2_mC52_15_4f_ef_f:O-Sr-Ta,26.0,"Invalid WP multiplicities - A8B3C2_mC52_15_13f_2e3f_f:O-Sr-Ta, expected Sr4TaO13 to be Sr3Ta2O8" +mp-1208813,Sr3Ta5O15,-9.4565549428,-3.4323071524,0.0314773557,0.0314773557,GGA,P4/mbm,A15B3C5_tP46_127_cg2ij_bh_di:O-Sr-Ta,46.0,A15B3C5_tP46_127_cg2ij_bh_di:O-Sr-Ta +mp-674341,Sc3TaO7,-9.5659668927,-3.6130572633,0.1844016694,0.1844016694,GGA,Cmme,A7B3C_oC44_67_gmo_em_a:O-Sc-Ta,22.0,"Invalid WP multiplicities - A7B3C_oC44_67_2g3m3o_2e3m_a:O-Sc-Ta, expected Sc8TaO20 to be Sc3TaO7" +mp-17715,SrTa2O6,-9.6113704256,-3.490794761,0.0,-0.0285472567,GGA,Pnma,A6BC2_oP36_62_2c2d_c_d:O-Sr-Ta,36.0,"Invalid WP multiplicities - A6BC2_oP36_62_2c3d_c_d:O-Sr-Ta, expected SrTa2O8 to be SrTa2O6" +mp-772633,SrSc2O4,-8.6029234283,-3.72561107,0.0133456163,-0.0109062028,GGA,C2/c,A4B2C_mC84_15_ae5f_3f_ef:O-Sc-Sr,42.0,"Invalid WP multiplicities - A4B2C_mC84_15_c2e10f_5f_e2f:O-Sc-Sr, expected Sr5Sc10O23 to be SrSc2O4" +mp-770771,SrSc2O4,-8.6162690446,-3.7389566863,0.0,-0.0242518191,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Sc-Sr,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_13c_5c_c:O-Sc-Sr, expected SrSc5O13 to be SrSc2O4" +mp-756354,SrSc2O4,-8.5902911064,-3.7129787481,0.0259779382,0.0017261191,GGA,Cmcm,A4B2C_oC28_63_acf_f_c:O-Sc-Sr,14.0,"Invalid WP multiplicities - A4B2C_oC28_63_ac2f_f_c:O-Sc-Sr, expected SrSc2O6 to be SrSc2O4" +mp-754114,SrSc2O4,-8.5852563314,-3.7079439731,0.0310127132,0.0067608941,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Sc-Sr,14.0,A4B2C_cF56_227_e_c_b:O-Sc-Sr +mp-541462,SrTa4O11,-9.9054946759,-3.4346084386,0.0,-0.0113260606,GGA,P6_322,A11BC4_hP32_182_fgi_c_dg:O-Sr-Ta,32.0,A11BC4_hP32_182_fgi_c_dg:O-Sr-Ta +mp-1208776,Sr2ScTaO6,-8.7482020585,-3.6232654676,0.0,-0.0600760163,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Sc-Sr-Ta,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Sc-Sr-Ta +mp-676378,Sr6Ta2O11,-7.8535873176,-3.2080035385,0.1460605095,0.1460605095,GGA,P4/nmm,A11B6C2_tP38_129_cf2i_acj_bc:O-Sr-Ta,38.0,"Invalid WP multiplicities - A11B6C2_tP38_129_c3f10i_2a2c4j_2b2c:O-Sr-Ta, expected Sr20Ta4O47 to be Sr6Ta2O11" +mp-769271,Sr4Ta2O9,-8.427335761,-3.4277539294,0.0,-0.0277844537,GGA,P-1,A9B4C2_aP30_2_9i_ab3i_2i:O-Sr-Ta,30.0,"Invalid WP multiplicities - A9B4C2_aP30_2_17i_ab5i_3i:O-Sr-Ta, expected Sr6Ta3O17 to be Sr4Ta2O9" +mp-769283,Sr4Ta2O9,-8.3555671947,-3.355985363,0.0717685663,0.0439841127,GGA,Pbcn,A9B4C2_oP60_60_c4d_2d_d:O-Sr-Ta,60.0,"Invalid WP multiplicities - A9B4C2_oP60_60_2c15d_5d_d:O-Sr-Ta, expected Sr5TaO16 to be Sr4Ta2O9" +mp-769268,Sr4Ta2O9,-8.3957786077,-3.396196776,0.0315571533,0.0037726997,GGA,P-3c1,A9B4C2_hP30_165_fg_2d_c:O-Sr-Ta,30.0,"Invalid WP multiplicities - A9B4C2_hP30_165_5f5g_5d_c:O-Sr-Ta, expected Sr10Ta2O45 to be Sr4Ta2O9" +mp-1207530,Zn11(B4Rh9)2,-5.827055065,-0.4257076181,0.0,-0.0082387783,GGA,P4/mbm,A8B18C11_tP74_127_2i_h4j_a3gi:B-Rh-Zn,74.0,A8B18C11_tP74_127_2i_h4j_a3gi:B-Rh-Zn +mp-569759,Zn5(BRh2)4,-5.8295925241,-0.4219014598,0.0055223668,0.0055223668,GGA,Cmmm,A4B8C5_oC34_65_p_fhq_agi:B-Rh-Zn,17.0,"Invalid WP multiplicities - A4B8C5_oC34_65_p_2fh2q_ag2i:B-Rh-Zn, expected Zn7(B2Rh7)2 to be Zn5(BRh2)4" +mp-510697,Zn5B3Rh7,-5.6264885863,-0.4340186895,0.0,-0.0084286115,GGA,Pmma,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Rh-Zn,30.0,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Rh-Zn +mp-1097259,ZnCrRh2,-4.09885899,2.311492715,2.5398586067,2.5398586067,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Rh-Zn,4.0,AB2C_oI8_71_a_e_b:Cr-Rh-Zn +mp-1226568,Cr3B12Rh25,-7.5782785442,-0.247790034,0.0255714042,0.0255714042,GGA,P1,A12B3C25_aP40_1_12a_3a_25a:B-Cr-Rh,40.0,A12B3C25_aP40_1_12a_3a_25a:B-Cr-Rh +mp-1215838,Zn15B6Rh17,-5.2749868239,-0.4285200196,0.0,-0.0104397611,GGA,Pmm2,A6B17C15_oP38_25_ac2e_2b3d6f_abc6e:B-Rh-Zn,38.0,"Invalid WP multiplicities - A6B17C15_oP38_25_ac4e_2b3d12f_abc12e:B-Rh-Zn, expected Zn27B10Rh29 to be Zn15B6Rh17" +mp-971859,Zn3B,-1.9980101375,0.6166455127,0.6166455127,0.6166455127,GGA,I4/mmm,AB3_tI8_139_a_bd:B-Zn,4.0,AB3_tI8_139_a_bd:B-Zn +mp-971853,Zn3B,-1.9942977825,0.6203578677,0.6203578677,0.6203578677,GGA,Pm-3m,AB3_cP4_221_a_c:B-Zn,4.0,AB3_cP4_221_a_c:B-Zn +mp-1207569,Zn10Cr(B4Rh9)2,-6.0145788176,-0.3863853204,0.0255617861,0.0255617861,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Cr-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Cr-Rh-Zn +mp-554869,SrGeO3,-6.9730983885,-2.7425809001,0.0018847388,-0.0588001845,GGA,P-1,AB3C_aP60_2_6i_18i_6i:Ge-O-Sr,60.0,"Invalid WP multiplicities - AB3C_aP60_2_11i_35i_12i:Ge-O-Sr, expected Sr12Ge11O35 to be SrGeO3" +mp-17464,SrGeO3,-6.9749831273,-2.7444656389,0.0,-0.0606849233,GGA,C2/c,AB3C_mC60_15_ef_e4f_cf:Ge-O-Sr,30.0,"Invalid WP multiplicities - AB3C_mC60_15_ef_e5f_af:Ge-O-Sr, expected Sr3Ge3O11 to be SrGeO3" +mp-555731,SrGeO3,-6.862306664,-2.6317891756,0.1126764633,0.05199154,GGA,P-62m,AB3C_hP15_189_f_fi_g:Ge-O-Sr,15.0,"Invalid WP multiplicities - AB3C_hP15_189_f_3f2i_g:Ge-O-Sr, expected SrGeO7 to be SrGeO3" +mp-1016999,SrGeO3,-6.824938958,-2.5944214696,0.1500441693,0.089359246,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Sr,5.0,AB3C_cP5_221_b_c_a:Ge-O-Sr +mp-1180526,Na2GeO10,-4.8150790944,-0.4508509749,0.5368487566,0.5368487566,GGA,P2_1/c,AB2C10_mP52_14_e_2e_10e:Ge-Na-O,52.0,AB2C10_mP52_14_e_2e_10e:Ge-Na-O +mp-1201136,Na2GeO10,-4.8422908121,-0.4780626925,0.5096370389,0.5096370389,GGA,P2_1/c,AB2C10_mP52_14_e_2e_10e:Ge-Na-O,52.0,AB2C10_mP52_14_e_2e_10e:Ge-Na-O +mp-542085,Sr2GeO4,-6.8826203918,-2.9127961623000003,0.0003180839,-0.059304792,GGA,P2_1/c,AB4C2_mP28_14_e_4e_2e:Ge-O-Sr,28.0,AB4C2_mP28_14_e_4e_2e:Ge-O-Sr +mp-557311,Sr2GeO4,-6.8829384757,-2.9131142462,0.0,-0.059622876,GGA,Pna2_1,AB4C2_oP56_33_2a_8a_4a:Ge-O-Sr,56.0,"Invalid WP multiplicities - AB4C2_oP56_33_7a_28a_12a:Ge-O-Sr, expected Sr12(GeO4)7 to be Sr2GeO4" +mp-1210405,Na4Sr(Ge2O5)3,-6.44752438,-2.258366979,0.0062111928,0.0062111928,GGA,P6_3/m,A6B4C15D_hP52_176_gh_bh_3hi_c:Ge-Na-O-Sr,52.0,A6B4C15D_hP52_176_gh_bh_3hi_c:Ge-Na-O-Sr +mp-1208652,SrGeO4,-6.3561233425,-2.0062439836,0.2808107155,0.2808107155,GGA,I-42d,AB4C_tI24_122_a_e_b:Ge-O-Sr,12.0,AB4C_tI24_122_a_e_b:Ge-O-Sr +mp-1186133,NaGeO3,-5.856373396,-1.6992495396,0.2339771531,0.2339771531,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Na-O,5.0,ABC3_cP5_221_b_a_c:Ge-Na-O +mp-5784,Na2GeO3,-5.8247068475,-2.1400160849,0.0,-0.0614435257,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ge-Na-O,12.0,AB2C3_oC24_36_a_b_ab:Ge-Na-O +mp-2970,Na4GeO4,-5.31812012,-2.0181330229,0.0,-0.111802375,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ge-Na-O,18.0,"Invalid WP multiplicities - AB4C4_aP18_2_i_7i_6i:Ge-Na-O, expected Na7GeO6 to be Na4GeO4" +mp-3153,Na4Ge9O20,-6.5744397586000005,-2.1553147255,0.0,-0.0254280325,GGA,I4_1/a,A9B4C20_tI132_88_a2f_f_5f:Ge-Na-O,66.0,"Invalid WP multiplicities - A9B4C20_tI132_88_a2f_f_6f:Ge-Na-O, expected Na4(Ge3O8)3 to be Na4Ge9O20" +mp-1180783,Na2GeO9,-4.9415071825,-0.6258174456000001,0.4441905969,0.4441905969,GGA,P2_1,AB2C9_mP24_4_a_2a_9a:Ge-Na-O,24.0,AB2C9_mP24_4_a_2a_9a:Ge-Na-O +mp-1191980,Na2GeO9,-5.0497821271,-0.7340923902000001,0.3359156523,0.3359156523,GGA,P2_1,AB2C9_mP24_4_a_2a_9a:Ge-Na-O,24.0,AB2C9_mP24_4_a_2a_9a:Ge-Na-O +mp-558933,Na2Ge4O9,-6.5122406166,-2.135083256,0.0193572614,0.0193572614,GGA,P-3c1,A4B2C9_hP90_165_bdfg_g_f4g:Ge-Na-O,90.0,"Invalid WP multiplicities - A4B2C9_hP90_165_2b4d5f8g_g_6f38g:Ge-Na-O, expected Na6Ge73O246 to be Na2Ge4O9" +mp-1187076,Sr2Ge2O5,-6.5516738233,-2.4007309152,0.2568499799,0.2568499799,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ge-O-Sr,9.0,A2B5C2_tP9_123_h_ci_ab:Ge-O-Sr +mp-977112,NaSrO3,-4.87871639,-1.3082994139,0.5388160247,0.5388160247,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Na-O-Sr,5.0,AB3C_cP5_221_b_c_a:Na-O-Sr +mp-771411,Sr3GeO5,-6.7388167389,-2.9138220976,0.0358727589,0.0358727589,GGA,I4cm,AB5C3_tI36_108_b_a2c_ac:Ge-O-Sr,18.0,"Invalid WP multiplicities - AB5C3_tI36_108_b_a4c_ac:Ge-O-Sr, expected Sr3GeO9 to be Sr3GeO5" +mp-1101351,Sr3GeO5,-6.7390558622,-2.914061221,0.0356336356,0.0356336356,GGA,P4/ncc,AB5C3_tP36_130_b_cg_cf:Ge-O-Sr,36.0,"Invalid WP multiplicities - AB5C3_tP36_130_b_2c2g_2c2f:Ge-O-Sr, expected Sr6GeO10 to be Sr3GeO5" +mp-772769,Na2Ge2O5,-6.1954825522,-2.1260881241,0.0219415344,0.0219415344,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:Ge-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_5e_5e_19e:Ge-Na-O, expected Na5Ge5O19 to be Na2Ge2O5" +mp-772811,Na2Ge2O5,-6.2084065236,-2.1390120955,0.0090175631,0.0090175631,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:Ge-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_5e_5e_17e:Ge-Na-O, expected Na5Ge5O17 to be Na2Ge2O5" +mp-780053,Na2Ge2O5,-6.2069743929,-2.1375799648,0.0104496938,0.0104496938,GGA,P2_1/c,A2B2C5_mP72_14_4e_4e_10e:Ge-Na-O,72.0,"Invalid WP multiplicities - A2B2C5_mP72_14_7e_7e_23e:Ge-Na-O, expected Na7Ge7O23 to be Na2Ge2O5" +mp-772842,Na2Ge2O5,-6.19674791,-2.1273534819,0.0206761767,0.0206761767,GGA,Pca2_1,A2B2C5_oP36_29_2a_2a_5a:Ge-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_29_3a_3a_9a:Ge-Na-O, expected NaGeO3 to be Na2Ge2O5" +mp-771248,Na2Ge2O5,-6.2049817364,-2.1355873083,0.0124423503,0.0124423503,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Ge-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_33_5a_5a_17a:Ge-Na-O, expected Na5Ge5O17 to be Na2Ge2O5" +mp-772863,Na2Ge2O5,-6.1967497125,-2.1273552844,0.0206743742,0.0206743742,GGA,Pbcn,A2B2C5_oP36_60_d_d_c2d:Ge-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_60_d_d_2c6d:Ge-Na-O, expected NaGeO7 to be Na2Ge2O5" +mp-9380,SrGe4O9,-6.9613377964000005,-2.3397804197,0.0,-0.0238077224,GGA,P321,A4B9C_hP42_150_adfg_f4g_e:Ge-O-Sr,42.0,"Invalid WP multiplicities - A4B9C_hP42_150_adfg_f5g_e:Ge-O-Sr, expected SrGe4O11 to be SrGe4O9" +mp-1212069,Na2Sr(Ge4O9)2,-6.7261856287,-2.2310420534,0.0154126328,0.0154126328,GGA,P-3c1,A8B2C18D_hP174_165_ab2d3g_g_9g_f:Ge-Na-O-Sr,174.0,A8B2C18D_hP174_165_ab2d3g_g_9g_f:Ge-Na-O-Sr +mp-30950,Sr3GeO,-4.4886735865,-1.5610342013,0.0,-0.010526817,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ge-O-Sr,20.0,ABC3_oP20_62_c_a_cd:Ge-O-Sr +mp-1094119,Na4Ge5O12,-6.1488180395,-1.9695082784,0.1808109726,0.1808109726,GGA,P-3,A5B4C12_hP21_147_a2d_cd_2g:Ge-Na-O,21.0,"Invalid WP multiplicities - A5B4C12_hP21_147_a3d_2cd_4g:Ge-Na-O, expected Na6Ge7O24 to be Na4Ge5O12" +mp-1185660,Mg16Al12F,-2.6351178872,-0.1363982415,0.0868766631,0.0868766631,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-F-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-F-Mg, expected Mg26Al20F to be Mg16Al12F" +mp-1028285,CsMg14Al,-1.5127568081,0.1775493733,0.203053373,0.203053373,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Cs-Mg, expected CsMg18Al to be CsMg14Al" +mp-1028248,CsMg14Al,-1.5075788131,0.1827273683,0.208231368,0.208231368,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Cs-Mg, expected CsMg26Al to be CsMg14Al" +mp-572702,CsAlF4,-5.6906971618,-3.6428814831,0.0,-0.0418601618,GGA,Pnma,ABC4_oP72_62_a2c_3c_4c4d:Al-Cs-F,72.0,"Invalid WP multiplicities - ABC4_oP72_62_2a7c_11c_16c27d:Al-Cs-F, expected Cs11Al9F70 to be CsAlF4" +mp-14866,CsAlF4,-5.6789027943,-3.6310871157,0.0117943675,-0.0300657943,GGA,I4/mcm,ABC4_tI120_140_dk_al_gh2km:Al-Cs-F,60.0,"Invalid WP multiplicities - ABC4_tI120_140_dk_al_gh2k2m:Al-Cs-F, expected Cs5Al5F28 to be CsAlF4" +mp-554899,CsAlF4,-5.6845686172,-3.6367529385,0.0061285446,-0.0357316172,GGA,P-62m,ABC4_hP18_189_f_g_fgj:Al-Cs-F,18.0,"Invalid WP multiplicities - ABC4_hP18_189_f_g_2f2g3j:Al-Cs-F, expected CsAlF10 to be CsAlF4" +mp-1183843,Cs(Mg4Al3)4,-2.4101995693,0.0534829525,0.0792939059,0.0792939059,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Cs-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-Cs-Mg, expected Cs(Mg5Al)12 to be Cs(Mg4Al3)4" +mp-5476,Cs4Mg3F10,-5.040097425,-3.4226127595,0.0,-0.0575895421,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Cs-F-Mg,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_2f_e3fg_af:Cs-F-Mg, expected Cs4Mg3F12 to be Cs4Mg3F10" +mp-8401,CsMgF3,-5.072026132,-3.4260022671,0.0576306188,0.0576306188,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Mg,5.0,AB3C_cP5_221_a_c_b:Cs-F-Mg +mp-1023409,CsMg6Al,-1.4669682181,0.3133640946,0.3371342222,0.3371342222,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Cs-Mg, expected CsMg12Al to be CsMg6Al" +mp-1023360,CsMg6Al,-1.4592164588,0.321115854,0.3448859815,0.3448859815,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Cs-Mg, expected CsMg12Al to be CsMg6Al" +mp-1248475,CsMg6Al,-1.5605648388,0.219767474,0.2435376015,0.2435376015,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Cs-Mg,8.0,ABC6_oC16_38_a_a_2bde:Al-Cs-Mg +mp-1113118,Cs3AlF6,-5.175608251,-3.3855425759,0.0,-0.0627800719,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Al-Cs-F,10.0,AB3C6_cF40_225_a_bc_e:Al-Cs-F +mp-1025166,MgAlF5,-5.4347113429,-3.3056755261,0.5471415907,0.5471415907,GGA,Immm,AB5C_oI14_71_a_cfg_b:Al-F-Mg,7.0,AB5C_oI14_71_a_cfg_b:Al-F-Mg +mp-1225922,CsMgAlF6,-5.7088507811,-3.7410583303,0.0,-0.0359994744,GGA,Imma,ABC6D_oI36_74_a_e_2ej_c:Al-Cs-F-Mg,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Al-Cs-F-Mg, expected CsMgAlF12 to be CsMgAlF6" +mp-1181909,CaO2,-5.8924636867,-1.9261379192,0.28127043,0.2782991071,GGA,C2/m,AB2_mC6_12_a_i:Ca-O,3.0,AB2_mC6_12_a_i:Ca-O +mp-1095665,CaO2,-5.890380285,-1.9240545175,0.2833538317,0.2803825088,GGA,C2/c,AB2_mC24_15_f_2f:Ca-O,12.0,"Invalid WP multiplicities - AB2_mC24_15_f_4f:Ca-O, expected CaO4 to be CaO2" +mp-634859,CaO2,-6.1737341167,-2.2074083492,0.0,-0.0029713229,GGA,I4/mmm,AB2_tI6_139_a_e:Ca-O,3.0,AB2_tI6_139_a_e:Ca-O +mp-1062228,CaO2,-5.67937025,-1.7130444825,0.4943638667,0.4913925437,GGA,P-3m1,AB2_hP3_164_a_d:Ca-O,3.0,AB2_hP3_164_a_d:Ca-O +mp-1120811,Ca2O3,-6.2031539295,-2.4329007508,0.2142064745,0.2142064745,GGA,P1,A2B3_aP40_1_16a_24a:Ca-O,40.0,A2B3_aP40_1_16a_24a:Ca-O +mp-1244902,CaO,-6.4716979936,-2.995553698,0.3111018414,-0.9681364057,GGA,P1,AB_aP100_1_50a_50a:Ca-O,100.0,AB_aP100_1_50a_50a:Ca-O +mp-1245200,CaO,-6.4412966354,-2.9651523398,0.3415031996,-0.9377350475,GGA,P1,AB_aP100_1_50a_50a:Ca-O,100.0,AB_aP100_1_50a_50a:Ca-O +mp-1245305,CaO,-6.4874215191,-3.0112772235,0.2953783159,-0.9838599312,GGA,P1,AB_aP100_1_50a_50a:Ca-O,100.0,AB_aP100_1_50a_50a:Ca-O +mp-1079707,CaO,-6.57302998,-3.0968856844,0.209769855,-1.0694683921,GGA,Cmce,AB_oC16_64_f_f:Ca-O,8.0,AB_oC16_64_f_f:Ca-O +mp-1064492,CaO,-6.5728595975,-3.0967153019,0.2099402375,-1.0692980096,GGA,I4/mmm,AB_tI8_139_e_e:Ca-O,4.0,AB_tI8_139_e_e:Ca-O +mp-545512,CaO,-6.71776179,-3.2416174944,0.065038045,-1.2142002021,GGA,P6_3/mmc,AB_hP4_194_c_d:Ca-O,4.0,AB_hP4_194_c_d:Ca-O +mp-2605,CaO,-6.7827998350000005,-3.3066555394,0.0,-1.2792382471,GGA,Fm-3m,AB_cF8_225_a_b:Ca-O,2.0,AB_cF8_225_a_b:Ca-O +mp-1181903,CaO,-4.0546677838,-0.5785234881,2.7281320512,1.4488938042,GGA,Fd-3m,AB_cF32_227_c_d:Ca-O,8.0,AB_cF32_227_c_d:Ca-O +mp-1182183,CaO10,-5.2047413673,-0.525424368,0.0765960909,0.0765960909,GGA,P4/mcc,AB10_tP22_124_b_hn:Ca-O,22.0,AB10_tP22_124_b_hn:Ca-O +mp-1182382,CaO10,-5.2320593418,-0.5527423425,0.0492781164,0.0492781164,GGA,P4/mcc,AB10_tP22_124_a_hn:Ca-O,22.0,AB10_tP22_124_a_hn:Ca-O +mp-27845,CaSe2O5,-6.1316614419,-1.9153031429,0.0,-0.0140507513,GGA,Pbca,AB5C2_oP64_61_c_5c_2c:Ca-O-Se,64.0,"Invalid WP multiplicities - AB5C2_oP64_61_c_8c_2c:Ca-O-Se, expected Ca(SeO4)2 to be CaSe2O5" +mp-1188389,CaSe2O7,-5.811398669,-1.4489742876,0.1775995278,0.1775995278,GGA,P-1,AB7C2_aP20_2_i_7i_2i:Ca-O-Se,20.0,AB7C2_aP20_2_i_7i_2i:Ca-O-Se +mp-557997,CaSeO3,-6.3760059105,-2.3076904122,0.0,-0.0697988098,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ca-O-Se,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_10e_e:Ca-O-Se, expected CaSeO10 to be CaSeO3" +mp-754140,CaSeO3,-6.364078226,-2.2957627277,0.0119276845,-0.0578711253,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ca-O-Se,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ca-O-Se, expected CaSeO7 to be CaSeO3" +mp-1190360,CaSeO4,-6.3139108175,-2.0991997837,0.0150232404,-0.1761244402,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-O-Se,24.0,AB4C_mP24_14_e_4e_e:Ca-O-Se +mp-1190384,CaSeO4,-5.8359248813,-1.6212138475,0.4930091767,0.301861496,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-O-Se,24.0,AB4C_mP24_14_e_4e_e:Ca-O-Se +mp-1190405,CaSeO4,-6.2941748554,-2.0794638216,0.0347592025,-0.1563884781,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-O-Se,24.0,AB4C_mP24_14_e_4e_e:Ca-O-Se +mp-1190379,CaSeO4,-6.3289340579,-2.1142230241,0.0,-0.1911476806,GGA,Cmce,AB4C_oC48_64_f_2fg_f:Ca-O-Se,24.0,AB4C_oC48_64_f_2fg_f:Ca-O-Se +mp-1095230,CaSeO4,-6.3102517442,-2.0955407104,0.0186823137,-0.1724653669,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ca-O-Se,12.0,AB4C_tI24_88_a_f_b:Ca-O-Se +mp-1227649,Ca2Se4O11,-5.9794999965,-1.720181085,0.1311564796,0.1311564796,GGA,Cc,A2B11C4_mC68_9_2a_11a_4a:Ca-O-Se,34.0,"Invalid WP multiplicities - A2B11C4_mC68_9_3a_16a_6a:Ca-O-Se, expected Ca3(Se3O8)2 to be Ca2Se4O11" +mp-1190543,Rb2Se2O7,-5.5161609673,-1.5543689601,0.0,-0.0798752685,GGA,C2/c,A7B2C2_mC44_15_e3f_f_f:O-Rb-Se,22.0,A7B2C2_mC44_15_e3f_f_f:O-Rb-Se +mp-28535,Ca2Se3O8,-6.2328851415,-2.0734663813,0.0,-0.0072450579,GGA,P-1,A2B8C3_aP26_2_2i_8i_3i:Ca-O-Se,26.0,A2B8C3_aP26_2_2i_8i_3i:Ca-O-Se +mp-1209207,RbSeO4,-5.3366959711,-1.2928292386,0.1320089748,0.1320089748,GGA,P1,A4BC_aP18_1_12a_3a_3a:O-Rb-Se,18.0,"Invalid WP multiplicities - A4BC_mC36_5_10c_ac_ac:O-Rb-Se, expected Rb3Se3O20 to be RbSeO4" +mp-725933,RbSeO4,-5.0085260431,-0.9646593105,0.4601789029,0.4601789029,GGA,P-1,A4BC_aP36_2_12i_3i_3i:O-Rb-Se,36.0,A4BC_aP36_2_12i_3i_3i:O-Rb-Se +mp-1190003,RbSeO4,-5.3359686189,-1.2921018864,0.132736327,0.132736327,GGA,C2,A4BC_mC36_5_6c_ac_ac:O-Rb-Se,18.0,A4BC_mC36_5_6c_ac_ac:O-Rb-Se +mp-725554,RbSeO3,-5.297730111,-1.4344277742,0.1743721245,0.1743721245,GGA,P-1,A3BC_aP10_2_3i_i_i:O-Rb-Se,10.0,A3BC_aP10_2_3i_i_i:O-Rb-Se +mp-1201176,Rb(SeO3)2,-5.2895281211,-1.1059181994,0.2417961661,0.2417961661,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-Rb-Se,36.0,A6BC2_oP36_19_6a_a_2a:O-Rb-Se +mp-677526,Rb2SeO4,-5.3951172643,-1.7888694832,0.0144196136,-0.2492481301,GGA,Cc,A4B2C_mC28_9_4a_2a_a:O-Rb-Se,14.0,"Invalid WP multiplicities - A4B2C_mC28_9_7a_2a_a:O-Rb-Se, expected Rb2SeO7 to be Rb2SeO4" +mp-1173599,Rb2SeO4,-4.6109355864,-1.0046878053,0.7986012914,0.5349335478,GGA,Cc,A4B2C_mC28_9_4a_2a_a:O-Rb-Se,14.0,"Invalid WP multiplicities - A4B2C_mC28_9_7a_2a_a:O-Rb-Se, expected Rb2SeO7 to be Rb2SeO4" +mp-4618,Rb2SeO4,-5.4095368779,-1.8032890968,0.0,-0.2636677437,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:O-Rb-Se,28.0,A4B2C_oP28_62_2cd_2c_c:O-Rb-Se +mp-1233125,Rb4Ca(Se2O7)2,-5.5865906239,-1.7098504483,0.0939515708,0.0939515708,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se +mp-1233389,Rb4Ca(Se2O7)2,-5.5377316078,-1.6609914323,0.1428105869,0.1428105869,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se +mp-1233791,Rb4Ca(Se2O7)2,-5.6020973852,-1.7253572096,0.0784448095,0.0784448095,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Ca-O-Rb-Se +mp-1233119,Rb4Ca(Se2O7)2,-5.5204406857,-1.6437005101,0.1601015091,0.1601015091,GGA,C2,AB14C4D4_mC46_5_a_ab6c_2c_2c:Ca-O-Rb-Se,23.0,AB14C4D4_mC46_5_a_ab6c_2c_2c:Ca-O-Rb-Se +mp-975382,RbCaO3,-5.050003676,-1.4847636587,0.421763652,0.421763652,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ca-O-Rb +mp-772779,Ca(SeO3)2,-6.0482241931,-1.7507180705,0.0437612022,0.0437612022,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-O-Se,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_19e_3e:Ca-O-Se, expected CaSe3O19 to be Ca(SeO3)2" +mp-1219666,Rb3(SeO4)2,-5.3964399908,-1.5882142321,0.0404052262,0.0404052262,GGA,C2,A8B3C2_mC26_5_4c_ac_c:O-Rb-Se,13.0,"Invalid WP multiplicities - A8B3C2_mC26_5_7c_ac_c:O-Rb-Se, expected Rb3(SeO7)2 to be Rb3(SeO4)2" +mp-1209391,Rb3(SeO4)2,-5.4042831358,-1.5960573771000002,0.0325620812,0.0325620812,GGA,C2/c,A8B3C2_mC52_15_4f_ef_f:O-Rb-Se,26.0,A8B3C2_mC52_15_4f_ef_f:O-Rb-Se +mp-1104306,Rb3(SeO4)2,-5.3982876354,-1.5900618767,0.0385575816,0.0385575816,GGA,R-3m,A8B3C2_hR39_166_ch_ac_c:O-Rb-Se,13.0,A8B3C2_hR39_166_ch_ac_c:O-Rb-Se +mp-991772,Pr7O12,-7.4764901579,-2.5908793779,0.8500443312,0.8500443312,GGA,P-1,A12B7_aP19_2_6i_a3i:O-Pr,19.0,"Invalid WP multiplicities - A12B7_aP19_2_12i_a6i:O-Pr, expected Pr13O24 to be Pr7O12" +mp-22671,Pr7O12,-8.2922951468,-3.4066843668,0.0342393422,0.0342393422,GGA,R-3,A12B7_hR57_148_2f_af:O-Pr,19.0,A12B7_hR57_148_2f_af:O-Pr +mp-862682,Ba2Ga2O5,-6.3793731522,-2.5318636543,0.1762728507,0.1762728507,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Ba-Ga-O,9.0,A2B2C5_tP9_123_ab_h_ci:Ba-Ga-O +mp-1101864,PrO2,-7.8917775133,-3.0003497875,0.1128669017,0.1128669017,GGA,Pnma,A2B_oP12_62_2c_c:O-Pr,12.0,A2B_oP12_62_2c_c:O-Pr +mp-1302,PrO2,-7.91795024,-3.0265225142,0.086694175,0.086694175,GGA,Fm-3m,A2B_cF12_225_c_a:O-Pr,3.0,A2B_cF12_225_c_a:O-Pr +mp-15577,Pr4Ga2O9,-7.9524621357,-3.3057945713,0.0,-0.0037914909,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Ga-O-Pr,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_2e_12e_4e:Ga-O-Pr, expected Pr2GaO6 to be Pr4Ga2O9" +mp-557002,Pr9O16,-8.2010682572,-3.3140614102,0.0482126141,0.0482126141,GGA,P-1,A16B9_aP25_2_8i_a4i:O-Pr,25.0,"Invalid WP multiplicities - A16B9_aP25_2_16i_a6i:O-Pr, expected Pr13O32 to be Pr9O16" +mp-1209915,Pr11O20,-8.1532324661,-3.2653699652,0.0486994136,0.0486994136,GGA,P-1,A20B11_aP31_2_10i_a5i:O-Pr,31.0,A20B11_aP31_2_10i_a5i:O-Pr +mp-1210032,Pr3Ga5O12,-7.3299876155,-2.8878145199,0.0,-0.0352850538,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Pr,80.0,A5B12C3_cI160_230_ad_h_c:Ga-O-Pr +mp-1229241,Ba(GaO2)2,-6.3195391193,-2.3535502864,0.2602436286,0.2471545771,GGA,C2,AB2C4_mC28_5_ab_2c_ab3c:Ba-Ga-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_5_ab_3c_ab4c:Ba-Ga-O, expected BaGa3O5 to be Ba(GaO2)2" +mp-1228877,Ba(GaO2)2,-6.5797827479,-2.613793915,0.0,-0.0130890514,GGA,P6_3,AB2C4_hP56_173_ac_2b2c_b5c:Ba-Ga-O,56.0,AB2C4_hP56_173_ac_2b2c_b5c:Ba-Ga-O +mp-771132,Ba3Ga4O9,-6.5847874481,-2.6854432412,0.0,-0.0309693655,GGA,P-1,A3B4C9_aP32_2_3i_4i_9i:Ba-Ga-O,32.0,"Invalid WP multiplicities - A3B4C9_aP32_2_5i_7i_17i:Ba-Ga-O, expected Ba5Ga7O17 to be Ba3Ga4O9" +mp-30198,Ba4Ga2O7,-6.4839132149,-2.7639968469,0.0,-0.0251552929,GGA,P2_1/c,A4B2C7_mP78_14_6e_3e_a10e:Ba-Ga-O,78.0,A4B2C7_mP78_14_6e_3e_a10e:Ba-Ga-O +mp-583714,Pr5O9,-8.110933728,-3.2234532154,0.1121360944,0.1121360944,GGA,P2_1/c,A9B5_mP112_14_18e_ad9e:O-Pr,112.0,"Invalid WP multiplicities - A9B5_mP112_14_67e_2a2d36e:O-Pr, expected Pr38O67 to be Pr5O9" +mp-559956,Pr5O9,-8.1477850495,-3.2603045369,0.0752847729,0.0752847729,GGA,P2_1/c,A9B5_mP112_14_18e_10e:O-Pr,112.0,"Invalid WP multiplicities - A9B5_mP112_14_72e_38e:O-Pr, expected Pr19O36 to be Pr5O9" +mp-11344,PrO,-7.910730325,-3.0469330919,0.0662835973,0.0662835973,GGA,Fm-3m,AB_cF8_225_a_b:O-Pr,2.0,AB_cF8_225_a_b:O-Pr +mp-771208,Ba5(Ga3O7)2,-6.5292369292,-2.6485532175,0.0450595987,0.0450595987,GGA,Cmc2_1,A5B6C14_oC100_36_a2b_2a2b_4a5b:Ba-Ga-O,50.0,"Invalid WP multiplicities - A5B6C14_oC100_36_a4b_2a4b_7a10b:Ba-Ga-O, expected Ba9Ga10O27 to be Ba5(Ga3O7)2" +mp-769971,BaGa4O7,-6.5418635742,-2.4870152401,0.0,-0.0117494654,GGA,C2/c,AB4C7_mC48_15_e_2f_e3f:Ba-Ga-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_15_e_3f_e10f:Ba-Ga-O, expected Ba(Ga2O7)3 to be BaGa4O7" +mp-17412,BaPr2O4,-7.9444132214,-3.4776216079,0.0,-0.0022133445,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Pr,28.0,AB4C2_oP28_62_c_4c_2c:Ba-O-Pr +mp-753821,Pr3GaO6,-8.1254372245,-3.420342669,0.0,-0.0070317338,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Pr,20.0,"Invalid WP multiplicities - AB6C3_oC40_36_a_4a4b_a2b:Ga-O-Pr, expected Pr5GaO12 to be Pr3GaO6" +mp-850536,BaGa12O19,-6.4686575667,-2.3360571691,0.0151735742,0.0151735742,GGA,P6_3mc,AB12C19_hP64_186_b_2a4b2c_2a2b5c:Ba-Ga-O,64.0,"Invalid WP multiplicities - AB12C19_hP64_186_b_3a8b12c_4a4b30c:Ba-Ga-O, expected BaGa47O98 to be BaGa12O19" +mp-22705,BaPrO3,-7.2865833345,-2.9785939687000003,0.1070534145,0.1070534145,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-O-Pr,20.0,AB3C_oP20_62_c_cd_a:Ba-O-Pr +mp-6909,BaPrO3,-7.281422177,-2.9734328113,0.112214572,0.112214572,GGA,Imma,AB3C_oI20_74_e_eg_a:Ba-O-Pr,10.0,AB3C_oI20_74_e_eg_a:Ba-O-Pr +mp-6910,BaPrO3,-7.27548856,-2.9674991942,0.118148189,0.118148189,GGA,R-3c,AB3C_hR30_167_a_e_b:Ba-O-Pr,10.0,AB3C_hR30_167_a_e_b:Ba-O-Pr +mp-4783,BaPrO3,-7.202808638,-2.8948192723,0.190828111,0.190828111,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pr,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pr +mp-8825,Pr6O11,-8.1205434725,-3.2323663929,0.0639806898,0.0639806898,GGA,P-1,A11B6_aP68_2_22i_12i:O-Pr,68.0,"Invalid WP multiplicities - A11B6_aP68_2_24i_12i:O-Pr, expected PrO2 to be Pr6O11" +mp-559771,Pr6O11,-8.1307608746,-3.2425837949,0.0537632877,0.0537632877,GGA,P2_1/c,A11B6_mP68_14_11e_6e:O-Pr,68.0,"Invalid WP multiplicities - A11B6_mP68_14_42e_18e:O-Pr, expected Pr3O7 to be Pr6O11" +mp-720472,PrO3,-6.8482263025000005,-1.9429833303,0.3919291866,0.3919291866,GGA,P6_3/m,A3B_hP8_176_h_c:O-Pr,8.0,A3B_hP8_176_h_c:O-Pr +mp-555159,Pr2O3,-8.5899471873,-3.7095716586,0.0262883684,-0.3892275977,GGA,C2/m,A3B2_mC30_12_a4i_3i:O-Pr,15.0,"Invalid WP multiplicities - A3B2_mC30_12_a8i_4i:O-Pr, expected Pr8O17 to be Pr2O3" +mp-2063,Pr2O3,-8.590696116,-3.7103205872,0.0255394397,-0.3899765264,GGA,P-3m1,A3B2_hP5_164_ad_d:O-Pr,5.0,A3B2_hP5_164_ad_d:O-Pr +mp-16705,Pr2O3,-8.6162355558,-3.735860027,0.0,-0.4155159662,GGA,Ia-3,A3B2_cI80_206_e_ad:O-Pr,40.0,A3B2_cI80_206_e_ad:O-Pr +mp-1199346,Ba(GaO3)2,-5.820535006,-1.6366128668000002,0.396337956,0.396337956,GGA,Pbca,AB2C6_oP72_61_c_2c_6c:Ba-Ga-O,72.0,AB2C6_oP72_61_c_2c_6c:Ba-Ga-O +mp-778485,Ba2Ga6O11,-6.5514568529,-2.5293462298,0.0043769432,0.0043769432,GGA,Pnnm,A2B6C11_oP76_58_2g_ace2h_3g4h:Ba-Ga-O,76.0,"Invalid WP multiplicities - A2B6C11_oP76_58_5g_2a2c3e6h_11g14h:Ba-Ga-O, expected Ba5Ga17O39 to be Ba2Ga6O11" +mp-4535,PrGaO3,-7.567501809,-3.0376882267,0.0292606009,0.0292606009,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Ga-O-Pr +mp-9833,PrGaO3,-6.122358972,-1.5925453897,1.4744034379,1.4744034379,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ga-O-Pr,5.0,AB3C_cP5_221_a_c_b:Ga-O-Pr +mp-1214591,Ba6Pr2Ga4O15,-6.9104814313,-2.9331341754,0.0,-0.0077827795,GGA,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Pr,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Pr +mp-1219065,SmFeNi4,-6.274259835,-0.2227341575,1.0979034929,1.0979034929,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Fe-Ni-Sm,6.0,AB4C_hP6_187_a_ck_e:Fe-Ni-Sm +mp-1224887,Fe3Ni3B2,-7.2239668388,-0.2103096873,0.0460126525,0.0460126525,GGA,P2_1,A2B3C3_mP16_4_2a_3a_3a:B-Fe-Ni,16.0,A2B3C3_mP16_4_2a_3a_3a:B-Fe-Ni +mp-1224960,FeNiB,-7.22879696,-0.2522804064,0.0513821233,0.0513821233,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Fe-Ni,6.0,ABC_oF24_69_f_g_h:B-Fe-Ni +mp-1104274,Sm4(FeB2)3,-6.82427499,-0.3349858519,0.0402646757,0.0402646757,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Fe-Sm,13.0,A6B3C4_hR39_166_f_bc_2c:B-Fe-Sm +mp-1078891,Sm(NiB)2,-6.439005914,-0.5114773067,0.6441896944000001,0.6441896944000001,GGA,C2/c,A2B2C_mC20_15_f_f_e:B-Ni-Sm,10.0,A2B2C_mC20_15_f_f_e:B-Ni-Sm +mp-1105860,Fe2NiB,-7.5558442706,-0.2059515529,0.0481958419,0.0481958419,GGA,Pnma,AB2C_oP16_62_c_d_c:B-Fe-Ni,16.0,AB2C_oP16_62_c_d_c:B-Fe-Ni +mp-1184343,Fe2NiB,-7.5488036838,-0.198910966,0.0552364288,0.0552364288,GGA,I-4,AB2C_tI32_82_g_2g_g:B-Fe-Ni,16.0,AB2C_tI32_82_g_2g_g:B-Fe-Ni +mp-1193589,Fe3(Ni10B3)2,-6.4464471452,-0.2019937709,0.0299607029,0.0299607029,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Fe-Ni,29.0,A6B3C20_cF116_225_e_ac_fh:B-Fe-Ni +mp-1205147,Sm(Ni2B)6,-6.4047107134,-0.3964698229,0.2319352767,0.2319352767,GGA,Cmc2_1,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Sm,38.0,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Sm +mp-1219363,Sm3Ni7B2,-6.0197805658,-0.3551556736,1.0837053568,1.0837053568,GGA,P-6m2,A2B7C3_hP12_187_ac_bn_def:B-Ni-Sm,12.0,A2B7C3_hP12_187_ac_bn_def:B-Ni-Sm +mp-973241,Sm3Ni7B2,-6.1039390333,-0.4393141411,0.9995468893,0.9995468893,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Ni-Sm,24.0,A2B7C3_hP24_194_bc_ak_df:B-Ni-Sm +mp-1190200,Sm2Fe17B3,-7.9420319336,-0.0572270176,0.0850205189,0.0850205189,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:B-Fe-Sm,22.0,A3B17C2_hR66_166_e_cdfh_c:B-Fe-Sm +mp-979948,SmNiB4,-6.7595912042,-0.5568762211,0.1900680852,0.1900680852,GGA,I4/mmm,A4BC_tI48_139_lm_i_de:B-Ni-Sm,24.0,A4BC_tI48_139_lm_i_de:B-Ni-Sm +mp-1208882,Sm2NiB10,-6.8380363,-0.5294804032,0.0602628666,0.0602628666,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Ni-Sm,26.0,A10BC2_oP26_55_3gi_a_h:B-Ni-Sm +mp-1196306,Sm2Fe14B,-8.0008385672,-0.0774938036,0.0,-0.0232302546,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Sm,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Sm +mp-20416,SmFeB4,-7.1763264167,-0.5252973453,0.0,-0.0162935804,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Sm,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Sm +mp-1189146,Sm3Ni13B2,-6.097273195,-0.3941443735,0.983369138,0.983369138,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Sm,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Sm +mp-1102220,SmNi4B,-6.2039403417,-0.450852904,0.899428706,0.899428706,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Sm,12.0,AB4C_hP12_191_c_di_ab:B-Ni-Sm +mp-1219126,SmFe2Ni2B,-6.9172368408,-0.2675212265,0.6344733575,0.6344733575,GGA,Cmm2,AB2C2D_oC24_35_d_2ac_cd_2b:B-Fe-Ni-Sm,12.0,AB2C2D_oC24_35_d_2ac_cd_2b:B-Fe-Ni-Sm +mp-8346,Lu2Ge2O7,-7.9020095311,-3.0915751922,0.0,-0.0195051304,GGA,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Ge-Lu-O,44.0,"Invalid WP multiplicities - A2B2C7_tP44_92_b_b_a4b:Ge-Lu-O, expected Lu2Ge2O9 to be Lu2Ge2O7" +mp-772812,Lu2GeO5,-8.2009445947,-3.4011480383,0.0218205324,0.0218205324,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-Lu-O,32.0,"Invalid WP multiplicities - AB2C5_mP32_14_e_3e_19e:Ge-Lu-O, expected Lu3GeO19 to be Lu2GeO5" +mp-768388,Lu2GeO5,-8.2119028675,-3.4121063111,0.0108622596,0.0108622596,GGA,C2/c,AB2C5_mC64_15_f_2f_5f:Ge-Lu-O,32.0,"Invalid WP multiplicities - AB2C5_mC64_15_f_5f_15f:Ge-Lu-O, expected Lu5GeO15 to be Lu2GeO5" +mp-755373,Lu2GeO5,-8.1219181444,-3.322121588,0.1008469827,0.1008469827,GGA,C2/c,AB2C5_mC32_15_a_f_e2f:Ge-Lu-O,16.0,"Invalid WP multiplicities - AB2C5_mC32_15_c_f_2e5f:Ge-Lu-O, expected Lu2GeO12 to be Lu2GeO5" +mp-768865,Lu2GeO5,-8.2024944494,-3.402697893,0.0202706777,0.0202706777,GGA,Pnma,AB2C5_oP32_62_c_2c_5c:Ge-Lu-O,32.0,"Invalid WP multiplicities - AB2C5_oP32_62_c_5c_17c:Ge-Lu-O, expected Lu5GeO17 to be Lu2GeO5" +mp-6712,NaLuGeO4,-7.2287075489,-2.9068134756,0.0,-0.0336816845,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Ge-Lu-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Ge-Lu-Na-O +mp-1185514,LuGeO3,-7.058339924,-2.2615310223,0.8114217971000001,0.8114217971000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Lu-O,5.0,ABC3_cP5_221_b_a_c:Ge-Lu-O +mp-754250,NaLuO2,-7.1735939019,-3.2393805929,0.0068976131,-0.1217446023,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:Lu-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_3e_3e_7f:Lu-Na-O, expected Na3Lu3O14 to be NaLuO2" +mp-754043,NaLuO2,-7.153643075,-3.219429766,0.02684844,-0.1017937755,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Lu-Na-O,8.0,ABC2_tI16_141_a_b_e:Lu-Na-O +mp-755311,NaLuO2,-7.180491515,-3.246278206,0.0,-0.1286422155,GGA,R-3m,ABC2_hR12_166_a_b_c:Lu-Na-O,4.0,ABC2_hR12_166_a_b_c:Lu-Na-O +mp-28216,Lu6Ge4O17,-8.0971225293,-3.2929920614,0.0,-0.0100712159,GGA,P2/c,A4B6C17_mP54_13_2g_3g_e8g:Ge-Lu-O,54.0,"Invalid WP multiplicities - A4B6C17_mP54_13_2g_3g_e9g:Ge-Lu-O, expected Lu6Ge4O19 to be Lu6Ge4O17" +mp-1367743,Ca2Mo2O5,-7.8860215572,-2.282027831,0.2688292674,0.2688292674,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Mo-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Mo-O, expected CaMoO6 to be Ca2Mo2O5" +mp-721592,Ca6Al7O16,-7.4585833341,-3.4103195593,0.0,-0.0077496346,GGA,I-43d,A7B6C16_cI116_220_ac_d_ce:Al-Ca-O,58.0,A7B6C16_cI116_220_ac_d_ce:Al-Ca-O +mp-1044292,CaMo3O7,-8.2791142352,-1.9909895817,0.30311277,0.30311277,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Mo-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Mo-O, expected CaMo5O7 to be CaMo3O7" +mp-1227539,Ca2Al2O5,-7.4133605594,-3.3871611176,0.0477820547,0.0477820547,GGA,C2/m,A2B2C5_mC36_12_ei_j_ghij:Al-Ca-O,,"Invalid WP multiplicities - A2B2C5_mC36_12_ei_j_g2hij:Al-Ca-O, expected CaAlO3 to be Ca2Al2O5" +mp-10444,Ca2Al2O5,-7.43838321,-3.4121837682,0.0227594041,0.0227594041,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Al-Ca-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Al-Ca-O +mp-1391765,Ca2MoO5,-7.5312537881,-2.5824671098,0.2245533725,0.2245533725,GGA+U,Ima2,A2BC5_oI32_46_c_a_b2c:Ca-Mo-O,16.0,A2BC5_oI32_46_c_a_b2c:Ca-Mo-O +mp-1182255,Ca2Al3O8,-6.8818234623,-2.6647898515,0.3937785768,0.3937785768,GGA,Cmce,A3B2C8_oC104_64_eg_df_2f3g:Al-Ca-O,52.0,A3B2C8_oC104_64_eg_df_2f3g:Al-Ca-O +mp-1214131,Ca2Al3O8,-7.1762468742,-2.9592132635,0.0993551648,0.0993551648,GGA,I-43m,A3B2C8_cI52_217_d_c_cg:Al-Ca-O,26.0,A3B2C8_cI52_217_d_c_cg:Al-Ca-O +mp-1182403,CaMoO4,-7.346986425,-1.9073189525,0.7331565108,0.5134081258000001,GGA+U,P-1,ABC4_aP12_2_i_i_4i:Ca-Mo-O,12.0,"Invalid WP multiplicities - ABC4_aP12_2_i_i_7i:Ca-Mo-O, expected CaMoO7 to be CaMoO4" +mp-19330,CaMoO4,-8.0801429358,-2.6404754633,0.0,-0.219748385,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Ca-Mo-O,12.0,ABC4_tI24_88_a_b_f:Ca-Mo-O +mp-556889,Ca4Al6MoO16,-7.7402791531,-3.2777412276,0.0,-0.0030594452,GGA+U,Aea2,A6B4CD16_oC216_41_2a5b_4b_b_16b:Al-Ca-Mo-O,108.0,"Invalid WP multiplicities - A6B4CD16_oC216_41_4a16b_15b_b_63b:Al-Ca-Mo-O, expected Ca15Al18MoO63 to be Ca4Al6MoO16" +mp-1227671,Ca4Al6MoO16,-7.7345449481,-3.2720070226,0.005734205,0.0026747598,GGA+U,I-4,A6B4CD16_tI54_82_abg_g_c_4g:Al-Ca-Mo-O,27.0,"Invalid WP multiplicities - A6B4CD16_tI54_82_ab3g_g_c_13g:Al-Ca-Mo-O, expected Ca4Al14MoO52 to be Ca4Al6MoO16" +mp-17694,Ca5Al6O14,-7.5120118254,-3.4418079719,0.0033982111,0.0033982111,GGA,Cmc2_1,A6B5C14_oC100_36_2a2b_a2b_4a5b:Al-Ca-O,50.0,A6B5C14_oC100_36_2a2b_a2b_4a5b:Al-Ca-O +mp-675084,Ca4Al3O10,-6.6960478615,-2.6533411484,0.4642126668,0.4642126668,GGA,P-1,A3B4C10_aP34_2_3i_4i_10i:Al-Ca-O,34.0,"Invalid WP multiplicities - A3B4C10_aP34_2_6i_7i_19i:Al-Ca-O, expected Ca7Al6O19 to be Ca4Al3O10" +mp-1215043,CaAl2O12,-5.5290518302,-0.9385840919,0.6815620508,0.6815620508,GGA,P6_3/m,A2BC12_hP90_176_i_h_2h5i:Al-Ca-O,90.0,A2BC12_hP90_176_i_h_2h5i:Al-Ca-O +mp-1215064,CaAl2O12,-5.4529358233,-0.862468085,0.7576780577000001,0.7576780577000001,GGA,P6_3/m,A2BC12_hP90_176_i_h_2h5i:Al-Ca-O,90.0,A2BC12_hP90_176_i_h_2h5i:Al-Ca-O +mp-33318,Ca11Al14O32,-7.5325471172,-3.4484471337,0.0,-0.0050025111,GGA,C2,A14B11C32_mC114_5_ab6c_2ab4c_16c:Al-Ca-O,57.0,"Invalid WP multiplicities - A14B11C32_mC114_5_ab11c_2ab7c_31c:Al-Ca-O, expected Ca17Al24O62 to be Ca11Al14O32" +mp-1214022,Ca8Mo7O20,-7.9542272643,-2.499995149,0.1237435807,0.1237435807,GGA+U,I4/m,A8B7C20_tI70_87_i_aeh_de2hi:Ca-Mo-O,35.0,A8B7C20_tI70_87_i_aeh_de2hi:Ca-Mo-O +mp-1046989,Ca2AlMoO5,-7.7668554789,-2.9517588949,0.0411412405,0.0411412405,GGA+U,Cc,AB2CD5_mC36_9_a_2a_a_5a:Al-Ca-Mo-O,18.0,"Invalid WP multiplicities - AB2CD5_mC36_9_a_3a_a_8a:Al-Ca-Mo-O, expected Ca3AlMoO8 to be Ca2AlMoO5" +mp-1229268,Ca33Mo27O80,-7.8740202246,-2.4829313252,0.1648760748,0.1648760748,GGA+U,I4/m,A33B27C80_tI280_87_a4i_bd2eg2hi_2eg4h7i:Ca-Mo-O,140.0,"Invalid WP multiplicities - A33B27C80_tI280_87_a29i_b2d4e2g8h2i_4e2g16h39i:Ca-Mo-O, expected Ca233Mo69O392 to be Ca33Mo27O80" +mp-1048023,CaMo4O9,-8.3235158393,-1.9014873592,0.3343937852,0.3343937852,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Ca-Mo-O,28.0,AB4C9_tP28_85_c_g_a2g:Ca-Mo-O +mp-1395042,Ca2Mo3O8,-8.1319667215,-2.2764544308,0.2057472062,0.2057472062,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Mo-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Mo-O +mp-1042855,Ca2Mo3O8,-8.307207615,-2.4516953242,0.0305063127,0.0305063127,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Mo-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Mo-O, expected Ca2(MoO4)3 to be Ca2Mo3O8" +mp-1331972,Ca(MoO2)2,-8.2873818421,-2.0754311357,0.2294703843,0.2294703843,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Mo-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Mo-O +mp-1327535,Ca(MoO2)2,-8.3237156143,-2.1117649079,0.1931366121,0.1931366121,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Mo-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Mo-O, expected Ca4Mo11O24 to be Ca(MoO2)2" +mp-1041104,Ca(MoO2)2,-8.4613878176,-2.2494371112,0.0554644088,0.0554644088,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Mo-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a5b_12a12b:Ca-Mo-O, expected Ca3(Mo4O9)2 to be Ca(MoO2)2" +mp-1042530,Ca(MoO2)2,-8.3800132186,-2.1680625121,0.1368390079,0.1368390079,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Mo-O, expected CaMo3O7 to be Ca(MoO2)2" +mp-1042245,Ca(MoO2)2,-8.4721958271,-2.2602451207,0.0446563993,0.0446563993,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Mo-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Ca-Mo-O +mp-1047293,Ca(MoO2)2,-8.5020643575,-2.2901136511,0.0147878689,0.0147878689,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Mo-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Mo-O +mp-1047646,Ca(MoO2)2,-8.4595309221,-2.2475802157,0.0573213043,0.0573213043,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Mo-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Mo-O +mp-1041996,Ca(MoO2)2,-8.2324408586,-2.0204901521,0.2844113679,0.2844113679,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Mo-O, expected Ca(MoO5)2 to be Ca(MoO2)2" +mp-1041298,Ca(MoO2)2,-8.4137420007,-2.2017912943,0.1031102257,0.1031102257,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Mo-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b7d_2a2b2c13d:Ca-Mo-O, expected Ca2Mo8O15 to be Ca(MoO2)2" +mp-1042046,Ca(MoO2)2,-8.5090532357,-2.2971025293,0.0077989907,0.0077989907,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Mo-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Mo-O +mp-1376713,Ca3Mo2O7,-7.9251713788,-2.7305946422,0.0039655417,0.0039655417,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Mo-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Ca-Mo-O, expected Ca3Mo2O9 to be Ca3Mo2O7" +mp-532016,Ca12Al14O33,-7.5007893386,-3.4372980225,0.0063426164,0.0063426164,GGA,P1,A14B12C33_aP59_1_14a_12a_33a:Al-Ca-O,59.0,A14B12C33_aP59_1_14a_12a_33a:Al-Ca-O +mp-530149,Ca12Al14O33,-7.4998974683,-3.4364061522,0.0072344868,0.0072344868,GGA,I-4,A14B12C33_tI118_82_ac3g_ef2g_b8g:Al-Ca-O,59.0,"Invalid WP multiplicities - A14B12C33_tI118_82_ac11g_2e2f7g_b29g:Al-Ca-O, expected Ca36Al46O117 to be Ca12Al14O33" +mp-1214054,CaMoO2,-7.7782596463,-2.0921027931,0.3721492872,0.3721492872,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Ca-Mo-O,16.0,ABC2_tI32_141_c_d_h:Ca-Mo-O +mp-4867,CaAl4O7,-7.7659413921,-3.4647143772,0.0,-0.0211713092,GGA,C2/c,A4BC7_mC48_15_2f_e_e3f:Al-Ca-O,24.0,"Invalid WP multiplicities - A4BC7_mC48_15_2f_e_e4f:Al-Ca-O, expected CaAl4O9 to be CaAl4O7" +mp-1095632,CaMoO,-6.8525867758,-0.9199405421,1.2844964842,1.2844964842,GGA+U,P2_1/m,ABC_mP12_11_2e_2e_2e:Ca-Mo-O,12.0,"Invalid WP multiplicities - ABC_mP12_11_2e_2e_3e:Ca-Mo-O, expected Ca2Mo2O3 to be CaMoO" +mp-559796,Al2(MoO4)3,-8.2503614594,-2.4039869579,0.0008973904,-0.0293691544,GGA+U,P2_1/c,A2B3C12_mP136_14_4e_6e_24e:Al-Mo-O,136.0,"Invalid WP multiplicities - A2B3C12_mP136_14_15e_19e_92e:Al-Mo-O, expected Al15Mo19O92 to be Al2(MoO4)3" +mp-19521,Al2(MoO4)3,-8.2512588499,-2.4048843484,0.0,-0.0302665449,GGA+U,Pbcn,A2B3C12_oP68_60_d_cd_6d:Al-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_60_d_cd_7d:Al-Mo-O, expected Al2Mo3O14 to be Al2(MoO4)3" +mp-12147,Ca3Al2O6,-7.3250196174,-3.3988302022,0.012787946,0.012787946,GGA,Pa-3,A2B3C6_cP264_205_2d_ab2c2d_6d:Al-Ca-O,264.0,A2B3C6_cP264_205_2d_ab2c2d_6d:Al-Ca-O +mp-640266,Ca3Al2O6,-6.7880084164,-2.8618190011,0.549799147,0.549799147,GGA,Pm-3m,A2B3C6_cP33_221_cd_ag_fh:Al-Ca-O,33.0,"Invalid WP multiplicities - A2B3C6_cP33_221_2c2d_a2g_3f3h:Al-Ca-O, expected Ca17Al12O54 to be Ca3Al2O6" +mp-1042314,CaMo2O7,-8.075913494,-2.2435413861,0.1109543606,0.1109543606,GGA+U,P2_1,AB2C7_mP20_4_a_2a_7a:Ca-Mo-O,20.0,AB2C7_mP20_4_a_2a_7a:Ca-Mo-O +mp-1392262,CaMo2O5,-8.2344233388,-2.1806303817,0.2153590828,0.2153590828,GGA+U,P2/c,AB2C5_mP16_13_e_g_f2g:Ca-Mo-O,16.0,AB2C5_mP16_13_e_g_f2g:Ca-Mo-O +mp-1045279,CaMo2O5,-8.2351010262,-2.1813080692,0.2146813953,0.2146813953,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Mo-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Mo-O +mp-1043328,CaMo2O5,-8.1973023456,-2.1435093886,0.2524800759,0.2524800759,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Mo-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Mo-O +mp-1200701,Ca3Al2O12,-6.0803000809,-1.7939344435,0.4146915703,0.4146915703,GGA,I-43d,A2B3C12_cI136_220_c_d_2e:Al-Ca-O,68.0,A2B3C12_cI136_220_c_d_2e:Al-Ca-O +mp-1182533,Ca3Al2O12,-6.0800578649,-1.7936922275,0.4149337863,0.4149337863,GGA,Ia-3d,A2B3C12_cI136_230_a_c_h:Al-Ca-O,68.0,A2B3C12_cI136_230_a_c_h:Al-Ca-O +mp-680193,Ca4Al6O13,-7.5321121318,-3.4102509255,0.041025294,0.041025294,GGA,Pbcn,A6B4C13_oP184_60_ac5d_4d_13d:Al-Ca-O,184.0,"Invalid WP multiplicities - A6B4C13_oP184_60_3a3c35d_26d_96d:Al-Ca-O, expected Ca13Al19O48 to be Ca4Al6O13" +mp-7531,Ca4Al6O13,-7.5596558048,-3.4377945984,0.0134816211,0.0134816211,GGA,I-43m,A6B4C13_cI46_217_d_c_ag:Al-Ca-O,23.0,A6B4C13_cI46_217_d_c_ag:Al-Ca-O +mp-561507,Ca4Al6O13,-7.4141563513,-3.2922951449,0.1589810746,0.1589810746,GGA,I-43m,A6B4C13_cI46_217_d_c_ag:Al-Ca-O,23.0,A6B4C13_cI46_217_d_c_ag:Al-Ca-O +mp-558636,CaAl2O4,-7.6209150071,-3.4375569521,0.0183266357,0.0183266357,GGA,P2_1/m,A2BC4_mP14_11_2e_e_4e:Al-Ca-O,14.0,"Invalid WP multiplicities - A2BC4_mP14_11_2e_e_8e:Al-Ca-O, expected CaAl2O8 to be CaAl2O4" +mp-14600,CaAl2O4,-7.6369545671,-3.4535965121,0.0022870757,0.0022870757,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:Al-Ca-O,56.0,A2BC4_mP56_14_4e_2e_8e:Al-Ca-O +mp-2963,CaAl2O4,-7.6384930399,-3.4551349849,0.000748603,0.000748603,GGA,P2_1/c,A2BC4_mP84_14_6e_3e_12e:Al-Ca-O,84.0,"Invalid WP multiplicities - A2BC4_mP84_14_6e_3e_14e:Al-Ca-O, expected Ca3Al6O14 to be CaAl2O4" +mp-12441,CaAl2O4,-7.5798684821,-3.3965104271,0.0593731607,0.0593731607,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Al-Ca-O,28.0,A2BC4_oP28_62_2c_c_4c:Al-Ca-O +mp-559390,CaAl2O4,-7.6304659343,-3.4471078793,0.0087757086,0.0087757086,GGA,P6_3,A2BC4_hP42_173_2c_a2b_4c:Al-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_173_9c_a3b_19c:Al-Ca-O, expected Ca4Al27O57 to be CaAl2O4" +mp-1227489,CaAl12O19,-7.8342050922,-3.4298427374,0.0114966442,0.0114966442,GGA,P6_3mc,A12BC19_hP64_186_2a4b2c_b_2a2b5c:Al-Ca-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_186_2a8b4c_b_4a4b9c:Al-Ca-O, expected CaAl22O35 to be CaAl12O19" +mp-28234,CaAl12O19,-7.8341006052,-3.4297382504,0.0116011313,0.0116011313,GGA,P6_3/mmc,A12BC19_hP64_194_ab2fk_c_efh2k:Al-Ca-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_194_ab2fk_c_efh5k:Al-Ca-O, expected CaAl12O37 to be CaAl12O19" +mp-3856,CaMo5O8,-8.5847529,-1.7413700343,0.2778250332,0.2778250332,GGA+U,P2_1/c,AB5C8_mP56_14_e_5e_8e:Ca-Mo-O,56.0,"Invalid WP multiplicities - AB5C8_mP56_14_e_7e_8e:Ca-Mo-O, expected CaMo7O8 to be CaMo5O8" +mp-1262001,Al2Mo2O7,-8.1281313032,-2.327288316,0.3337109773,0.3337109773,GGA+U,P1,A2B2C7_aP22_1_4a_4a_14a:Al-Mo-O,22.0,A2B2C7_aP22_1_4a_4a_14a:Al-Mo-O +mp-1378195,Al2Mo2O7,-8.0158172959,-2.2149743088,0.4460249845,0.4460249845,GGA+U,P-1,A2B2C7_aP22_2_abcd_efgh_7i:Al-Mo-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_abcd_efgh_13i:Al-Mo-O, expected Al2Mo2O13 to be Al2Mo2O7" +mp-1048485,Ca(MoO3)2,-8.1637203567,-2.2329389825,0.2015124544,0.2015124544,GGA+U,Pc,AB2C6_mP18_7_a_2a_6a:Ca-Mo-O,18.0,"Invalid WP multiplicities - AB2C6_oP18_31_a_b_2a3b:Ca-Mo-O, expected Ca(MoO4)2 to be Ca(MoO3)2" +mp-1774805,Ca(MoO3)2,-8.2002880489,-2.2695066747,0.1649447622,0.1649447622,GGA+U,Pmn2_1,AB2C6_oP18_31_a_b_2a2b:Ca-Mo-O,18.0,"Invalid WP multiplicities - AB2C6_oP18_31_a_b_2a3b:Ca-Mo-O, expected Ca(MoO4)2 to be Ca(MoO3)2" +mp-1045490,Ca(MoO2)4,-8.5508137262,-2.0152975715,0.1592201935,0.1592201935,GGA+U,P-1,AB4C8_aP13_2_a_2i_4i:Ca-Mo-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_3i_7i:Ca-Mo-O, expected Ca(Mo3O7)2 to be Ca(MoO2)4" +mp-1044218,Ca(MoO2)4,-8.5712607369,-2.0357445823,0.1387731827,0.1387731827,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Mo-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Mo-O, expected Ca(Mo2O7)2 to be Ca(MoO2)4" +mp-1045305,CaMoO3,-8.148709528,-2.6104463032,0.0096948095,-0.0214899127,GGA+U,P-1,ABC3_aP20_2_2i_abeh_6i:Ca-Mo-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_3i_abeh_11i:Ca-Mo-O, expected Ca3Mo2O11 to be CaMoO3" +mp-607467,CaMoO3,-8.1584043375,-2.6201411127,0.0,-0.0311847222,GGA+U,P2_1/c,ABC3_mP20_14_e_ab_3e:Ca-Mo-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_ab_5e:Ca-Mo-O, expected CaMoO5 to be CaMoO3" +mp-19012,CaMoO3,-8.152042065,-2.6137788402,0.0063622725,-0.0248224497,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Mo-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Mo-O +mp-1373731,AlMoO3,-8.3337379745,-2.4474795597,0.1762591553,0.1762591553,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Mo-O,20.0,ABC3_oP20_62_c_a_cd:Al-Mo-O +mp-1248370,AlMoO3,-8.046364926,-2.1601065112,0.4636322038,0.4636322038,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Mo-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Mo-O +mp-1389151,AlMoO3,-7.929805426,-2.0435470112,0.5801917038000001,0.5801917038000001,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Mo-O,10.0,ABC3_hP10_194_a_c_bf:Al-Mo-O +mp-1433892,AlMoO3,-7.2902197,-1.4039612852,1.2197774298,1.2197774298,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Al-Mo-O,5.0,ABC3_cP5_221_a_b_c:Al-Mo-O +mp-705778,Mn3(AgO2)4,-6.433921216,-1.2079359107,0.0374332802,0.0374332802,GGA+U,P1,A4B3C8_aP60_1_16a_12a_32a:Ag-Mn-O,60.0,A4B3C8_aP60_1_16a_12a_32a:Ag-Mn-O +mp-704268,Mn3(AgO2)4,-6.4554612555,-1.2294759502,0.0158932407,0.0158932407,GGA+U,P3_121,A4B3C8_hP180_152_2a2b6c_ab5c_16c:Ag-Mn-O,180.0,"Invalid WP multiplicities - A4B3C8_hP180_152_4a6b30c_3a3b26c_91c:Ag-Mn-O, expected Mn29(Ag5O13)7 to be Mn3(AgO2)4" +mp-31239,Mn3(AgO2)4,-6.4534694002,-1.2274840949,0.017885096,0.017885096,GGA+U,R32,A4B3C8_hR180_155_ae2f_def_c5f:Ag-Mn-O,60.0,"Invalid WP multiplicities - A4B3C8_hR180_155_ae2f_def_c7f:Ag-Mn-O, expected Mn3Ag4O11 to be Mn3(AgO2)4" +mp-1225882,Cu2AgO4,-5.1357547686,-0.7332227417,0.0,-0.0090951829,GGA,P-1,AB2C4_aP7_2_b_cd_2i:Ag-Cu-O,7.0,"Invalid WP multiplicities - AB2C4_aP7_2_b_cd_4i:Ag-Cu-O, expected Cu2AgO8 to be Cu2AgO4" +mp-996995,MnAgO2,-6.9066688475,-1.434681668,0.0,-0.0543875035,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Ag-Mn-O,16.0,ABC2_mC8_12_a_c_i:Ag-Mn-O +mp-1279432,MnAgO2,-6.9062013569000005,-1.4342141774,0.0004674906,-0.0539200129,GGA+U,Cmcm,ABC2_oC16_63_c_a_f:Ag-Mn-O,16.0,ABC2_oC16_63_c_a_f:Ag-Mn-O +mp-997160,MnAgO2,-6.86256518,-1.3905780005,0.0441036675,-0.010283836,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ag-Mn-O,8.0,ABC2_hR12_166_a_b_c:Ag-Mn-O +mp-997162,MnAgO2,-6.8624668275000005,-1.390479648,0.04420202,-0.0101854835,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Mn-O,8.0,ABC2_hP8_194_c_a_f:Ag-Mn-O +mp-4362,Cu2Ag2O3,-4.7630124307,-0.6624993621,0.0227851969,0.0227851969,GGA,I4_1/amd,A2B2C3_tI28_141_d_c_ae:Ag-Cu-O,14.0,A2B2C3_tI28_141_d_c_ae:Ag-Cu-O +mp-754229,MnAgO3,-6.55820158,-1.1912740942,0.0710377985,0.0710377985,GGA+U,R-3,ABC3_hR30_148_c_c_f:Ag-Mn-O,10.0,ABC3_hR30_148_c_c_f:Ag-Mn-O +mp-1178387,Cu(AgO)2,-4.433774538,-0.5022353182,0.0797906287,0.0797906287,GGA,Immm,A2BC2_oI10_71_e_a_f:Ag-Cu-O,5.0,A2BC2_oI10_71_e_a_f:Ag-Cu-O +mp-1096930,Cu(AgO)2,-4.292508548,-0.3609693282,0.2210566187,0.2210566187,GGA,I4/mmm,A2BC2_tI10_139_d_a_c:Ag-Cu-O,5.0,A2BC2_tI10_139_d_a_c:Ag-Cu-O +mp-655140,MnAgO4,-5.5142204437,-0.2173327537,0.8441372810000001,0.8441372810000001,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Ag-Mn-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_11e:Ag-Mn-O, expected MnAgO11 to be MnAgO4" +mp-608357,MnAgO4,-6.1883887596000005,-0.8915010695000001,0.1699689651,0.1699689651,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Ag-Mn-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_12e:Ag-Mn-O, expected MnAgO12 to be MnAgO4" +mp-1180484,MnAgO4,-6.1339168804,-0.8370291903,0.2244408443,0.2244408443,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Ag-Mn-O,24.0,ABC4_oP24_62_c_c_2cd:Ag-Mn-O +mp-675402,CuAgO2,-4.7649035025,-0.5586184785,0.168913955,0.13597833,GGA,P-1,ABC2_aP4_2_b_e_i:Ag-Cu-O,4.0,ABC2_aP4_2_b_e_i:Ag-Cu-O +mp-7237,CuAgO2,-4.914945375,-0.708660351,0.0188720825,-0.0140635425,GGA,C2/m,ABC2_mC8_12_a_d_i:Ag-Cu-O,4.0,ABC2_mC8_12_a_d_i:Ag-Cu-O +mp-996975,CuAgO2,-4.9338174575,-0.7275324335000001,0.0,-0.032935625,GGA,Pmmm,ABC2_oP4_47_c_f_i:Ag-Cu-O,4.0,ABC2_oP4_47_c_f_i:Ag-Cu-O +mp-1221712,MnCu(AgO2)2,-5.8795721275,-1.0404360258,0.040671025,0.040671025,GGA+U,P2/m,A2BCD4_mP8_10_bd_c_h_mn:Ag-Cu-Mn-O,8.0,"Invalid WP multiplicities - A2BCD4_mP8_10_bg_c_e_2m2n:Ag-Cu-Mn-O, expected MnCu(AgO4)2 to be MnCu(AgO2)2" +mp-540932,Mn(AgO2)2,-5.7889843771,-0.8441440709,0.1848680032,0.1848680032,GGA+U,Pnma,A2BC4_oP28_62_ac_c_2cd:Ag-Mn-O,28.0,A2BC4_oP28_62_ac_c_2cd:Ag-Mn-O +mp-1106100,LiEuGe2,-5.9336655344,-0.5806704402,0.0,-0.0462481375,GGA,Pnma,AB2C_oP16_62_c_2c_c:Eu-Ge-Li,16.0,AB2C_oP16_62_c_2c_c:Eu-Ge-Li +mp-637249,LiEu2Ge3,-6.6676311588,-0.6189628201,0.0067566742,0.0067566742,GGA,Pnnm,A2B3C_oP24_58_2g_3g_g:Eu-Ge-Li,24.0,"Invalid WP multiplicities - A2B3C_oP24_58_4g_7g_g:Eu-Ge-Li, expected LiEu4Ge7 to be LiEu2Ge3" +mp-581575,EuGeS3,-6.8240239903,-1.3661481392,0.0,-0.0047689835,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Eu-Ge-S,30.0,"Invalid WP multiplicities - ABC3_aP30_2_5i_5i_17i:Eu-Ge-S, expected Eu5Ge5S17 to be EuGeS3" +mp-629443,Li2EuGeS4,-5.8836330125,-1.4781736555,0.0,-0.027900738,GGA,I-42m,ABC2D4_tI16_121_a_b_d_i:Eu-Ge-Li-S,8.0,ABC2D4_tI16_121_a_b_d_i:Eu-Ge-Li-S +mp-865067,Li2EuGe,-5.071953,-0.3974841529,0.0203562699,0.0203562699,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Ge-Li,4.0,ABC2_cF16_225_a_b_c:Eu-Ge-Li +mp-1222312,LiEuS2,-6.8242990825,-1.7145929824,0.1141823197,0.1141823197,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Eu-Li-S,4.0,ABC2_tP4_123_a_d_bc:Eu-Li-S +mp-1222529,Li4GeS4,-4.4844479942,-1.2839459065,0.0003555592,-0.0601016392,GGA,P2_12_12_1,AB4C4_oP36_19_a_4a_4a:Ge-Li-S,36.0,AB4C4_oP36_19_a_4a_4a:Ge-Li-S +mp-1222582,Li4GeS4,-4.4587606694,-1.2582585818,0.0260428839,-0.0344143145,GGA,Pna2_1,AB4C4_oP36_33_a_4a_4a:Ge-Li-S,36.0,"Invalid WP multiplicities - AB4C4_oP36_33_a_9a_9a:Ge-Li-S, expected Li9GeS9 to be Li4GeS4" +mp-30249,Li4GeS4,-4.4848035533,-1.2843014656,0.0,-0.0604571984,GGA,Pnma,AB4C4_oP36_62_c_acd_2cd:Ge-Li-S,36.0,AB4C4_oP36_62_c_acd_2cd:Ge-Li-S +mp-1103850,Eu2GeS4,-7.614164755,-1.6594746232,0.004190161,0.004190161,GGA,P2_1,A2BC4_mP14_4_2a_a_4a:Eu-Ge-S,14.0,A2BC4_mP14_4_2a_a_4a:Eu-Ge-S +mp-1104543,Eu2GeS4,-7.6032275371,-1.6485374054,0.0151273788,0.0151273788,GGA,P2_1/m,A2BC4_mP14_11_2e_e_2ef:Eu-Ge-S,14.0,A2BC4_mP14_11_2e_e_2ef:Eu-Ge-S +mp-772552,Li6CrO4,-5.7056333427,-1.9880570232,0.0956578945,0.0956578945,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cr-Li-O,22.0,AB6C4_tP22_137_a_df_g:Cr-Li-O +mp-1098010,Li2Eu5O8,-9.3131957053,-3.0014380771,0.0,-0.0185102604,GGA,C2/m,A5B2C8_mC30_12_a2i_i_4i:Eu-Li-O,15.0,A5B2C8_mC30_12_a2i_i_4i:Eu-Li-O +mp-1189762,EuCrO3,-9.7527013635,-2.8026782828,0.0,-0.0264174736,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Eu-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Eu-O +mp-754941,EuCrO3,-9.675087826,-2.7250647453,0.0776135375,0.0511960639,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Eu-O,5.0,ABC3_cP5_221_b_a_c:Cr-Eu-O +mp-772297,Li2Cr2O7,-7.0735440668,-1.8234748257,0.0730390186,0.0730390186,GGA+U,P1,A2B2C7_aP22_1_4a_4a_14a:Cr-Li-O,22.0,A2B2C7_aP22_1_4a_4a_14a:Cr-Li-O +mp-772666,Li2Cr2O7,-7.0689975768,-1.8189283357,0.0775855086,0.0775855086,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:Cr-Li-O, expected Li3Cr3O13 to be Li2Cr2O7" +mp-770862,Li2Cr2O7,-7.1092621823,-1.8591929412,0.0373209032,0.0373209032,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Cr-Li-O, expected Li7Cr7O27 to be Li2Cr2O7" +mp-770872,Li2Cr2O7,-7.0898533927,-1.8397841516,0.0567296927,0.0567296927,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Cr-Li-O, expected Li7Cr7O27 to be Li2Cr2O7" +mp-772318,Li2Cr2O7,-7.0985128491,-1.848443608,0.0480702364,0.0480702364,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:Cr-Li-O, expected Li3Cr3O13 to be Li2Cr2O7" +mp-772396,Li2Cr2O7,-7.0754567191,-1.825387478,0.0711263664,0.0711263664,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:Cr-Li-O, expected Li3Cr3O13 to be Li2Cr2O7" +mp-803707,Li2Cr2O7,-5.3528850509,-0.1028158098,1.7936980346,1.7936980346,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Cr-Li-O, expected Li7Cr7O27 to be Li2Cr2O7" +mp-770895,Li2Cr2O7,-7.0690453236,-1.8189760825,0.0775377618,0.0775377618,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Cr-Li-O, expected Li7Cr7O27 to be Li2Cr2O7" +mp-1343159,Li2Cr2O7,-5.7169218714,-0.4668526303,1.4296612141,1.4296612141,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:Cr-Li-O, expected Li3Cr3O13 to be Li2Cr2O7" +mp-772272,Li2Cr2O7,-7.0556007191,-1.805531478,0.0909823664,0.0909823664,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_3e_3e_27e:Cr-Li-O, expected LiCrO9 to be Li2Cr2O7" +mp-772586,Li2Cr2O7,-7.0845344861,-1.834465245,0.0620485993,0.0620485993,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_5e_5e_25e:Cr-Li-O, expected LiCrO5 to be Li2Cr2O7" +mp-770678,Li2Cr2O7,-7.1227752691,-1.872706028,0.0238078164,0.0238078164,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_3e_3e_27e:Cr-Li-O, expected LiCrO9 to be Li2Cr2O7" +mp-754365,Li2Cr2O7,-7.1303012391,-1.880231998,0.0162818464,0.0162818464,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_2e11f:Cr-Li-O, expected LiCrO12 to be Li2Cr2O7" +mp-1178024,Li2Cr2O7,-7.1107877068,-1.8607184657,0.0357953786,0.0357953786,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:Cr-Li-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_e5f:Cr-Li-O, expected Li2Cr2O11 to be Li2Cr2O7" +mp-770745,Li2Cr2O7,-7.0750036648,-1.8249344237,0.0715794207,0.0715794207,GGA+U,Cmce,A2B2C7_oC88_64_ef_df_3f2g:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_oC88_64_2ef_2df_12f6g:Cr-Li-O, expected LiCrO8 to be Li2Cr2O7" +mp-771091,Li2Cr2O7,-7.0793688998,-1.8292996587,0.0672141857,0.0672141857,GGA+U,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Cr-Li-O,44.0,"Invalid WP multiplicities - A2B2C7_tP44_92_b_b_2a23b:Cr-Li-O, expected LiCrO24 to be Li2Cr2O7" +mp-770861,Li8Cr2O9,-6.2495278791,-2.0864922857,0.0755499193,0.0755499193,GGA+U,P-1,A2B8C9_aP76_2_4i_16i_18i:Cr-Li-O,76.0,"Invalid WP multiplicities - A2B8C9_aP76_2_7i_31i_35i:Cr-Li-O, expected Li31Cr7O35 to be Li8Cr2O9" +mp-756239,Li8CrO6,-5.7447103273,-2.1044061493,0.0355870555,0.0355870555,GGA+U,R-3,AB8C6_hR45_148_a_cf_f:Cr-Li-O,30.0,AB8C6_hR45_148_a_cf_f:Cr-Li-O +mp-780493,Li8CrO6,-5.7764054843,-2.1361013063,0.0038918985,0.0038918985,GGA+U,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Cr-Li-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Cr-Li-O, expected Li31CrO16 to be Li8CrO6" +mp-770755,Li3CrO3,-6.5092792436,-2.1921532145,0.0682893621,0.0682893621,GGA+U,P-31c,AB3C3_hP28_163_ac_i_i:Cr-Li-O,28.0,AB3C3_hP28_163_ac_i_i:Cr-Li-O +mp-756873,Li2CrO4,-6.7697071843,-2.018614606,0.070386591,-0.0323946294,GGA+U,P1,AB2C4_aP14_1_2a_4a_8a:Cr-Li-O,14.0,AB2C4_aP14_1_2a_4a_8a:Cr-Li-O +mp-758665,Li2CrO4,-6.7905085750000005,-2.0394159967,0.0495852002,-0.0531960201,GGA+U,P-1,AB2C4_aP14_2_i_2i_4i:Cr-Li-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_3i_7i:Cr-Li-O, expected Li3CrO7 to be Li2CrO4" +mp-773050,Li2CrO4,-6.7419630679,-1.9908704895,0.0981307074,-0.0046505129,GGA+U,Pc,AB2C4_mP56_7_4a_8a_16a:Cr-Li-O,56.0,AB2C4_mP56_7_4a_8a_16a:Cr-Li-O +mp-756967,Li2CrO4,-6.8197747229,-2.0686821445,0.0203190524,-0.0824621679,GGA+U,Pmn2_1,AB2C4_oP14_31_a_b_2ab:Cr-Li-O,14.0,"Invalid WP multiplicities - AB2C4_oP14_31_a_b_4a2b:Cr-Li-O, expected Li2CrO8 to be Li2CrO4" +mp-17159,Li2CrO4,-6.8400937752,-2.0890011969,0.0,-0.1027812203,GGA+U,R-3,AB2C4_hR126_148_f_2f_4f:Cr-Li-O,42.0,AB2C4_hR126_148_f_2f_4f:Cr-Li-O +mp-754233,Li5CrO5,-6.0737846039,-2.080047753,0.0683553348,0.0683553348,GGA+U,C2,AB5C5_mC22_5_a_b2c_a2c:Cr-Li-O,44.0,AB5C5_mC22_5_a_b2c_a2c:Cr-Li-O +mp-762454,LiCrO2,-7.7352268444,-2.3713899046,0.0378680956,-0.0791653891,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:Cr-Li-O,16.0,ABC2_tI16_141_a_b_e:Cr-Li-O +mp-18793,LiCrO2,-7.77309494,-2.4092580002,0.0,-0.1170334847,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cr-Li-O,16.0,ABC2_hR12_166_a_b_c:Cr-Li-O +mp-753227,LiCrO2,-7.7390517669,-2.3752148271,0.0340431731,-0.0829903116,GGA+U,P6_3mc,ABC2_hP8_186_b_b_ab:Cr-Li-O,16.0,ABC2_hP8_186_b_b_ab:Cr-Li-O +mp-1236414,LiCrO2,-6.668477205,-1.3046402652,1.104617735,0.9875842503,GGA+U,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Li-O,4.0,ABC2_cF16_225_a_b_c:Cr-Li-O +mp-756362,LiCrO2,-7.7715392744,-2.4077023346,0.0015556656,-0.1154778191,GGA+U,Fd-3m,ABC2_cF64_227_c_d_e:Cr-Li-O,16.0,ABC2_cF64_227_c_d_e:Cr-Li-O +mp-804341,LiCr2O4,-7.8574368436,-2.0000407505,0.2825093367,0.2825093367,GGA+U,P1,A2BC4_aP28_1_8a_4a_16a:Cr-Li-O,28.0,A2BC4_aP28_1_8a_4a_16a:Cr-Li-O +mp-774032,LiCr2O4,-8.1164749936,-2.2590789005,0.0234711867,0.0234711867,GGA+U,P1,A2BC4_aP28_1_8a_4a_16a:Cr-Li-O,28.0,A2BC4_aP28_1_8a_4a_16a:Cr-Li-O +mp-771523,LiCr2O4,-8.1017711196,-2.2443750265,0.0381750607,0.0381750607,GGA+U,Cc,A2BC4_mC56_9_4a_2a_8a:Cr-Li-O,28.0,"Invalid WP multiplicities - A2BC4_mC56_9_7a_3a_14a:Cr-Li-O, expected Li3Cr7O14 to be LiCr2O4" +mp-1176774,LiCr2O4,-8.0594280086,-2.2020319155,0.0805181717,0.0805181717,GGA+U,P2/m,A2BC4_mP7_10_bd_c_mn:Cr-Li-O,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_ce_b_2mn:Cr-Li-O, expected LiCr2O6 to be LiCr2O4" +mp-1284576,LiCr2O4,-8.0578457014,-2.2004496083,0.0821004789,0.0821004789,GGA+U,P2/c,A2BC4_mP14_13_ab_e_2g:Cr-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mP7_10_2c2e_b_mn:Cr-Li-O, expected LiCr4O4 to be LiCr2O4" +mp-757391,LiCr2O4,-8.0324584371,-2.175062344,0.1074877432,0.1074877432,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:Cr-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_f_e_7f:Cr-Li-O, expected LiCr2O14 to be LiCr2O4" +mp-1235016,LiCr2O4,-7.8973579943,-2.0399619012,0.242588186,0.242588186,GGA+U,Amm2,A2BC4_oC14_38_ab_a_2bd:Cr-Li-O,7.0,A2BC4_oC14_38_ab_a_2bd:Cr-Li-O +mp-770684,LiCr2O4,-8.0870767218,-2.2296806287,0.0528694585,0.0528694585,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Cr-Li-O, expected LiCr5O13 to be LiCr2O4" +mp-1045514,LiCr2O4,-8.0257786507,-2.1683825576,0.1141675296,0.1141675296,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Cr-Li-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h3i:Cr-Li-O, expected LiCr2O12 to be LiCr2O4" +mp-1045536,LiCr2O4,-8.05122329,-2.1938271969,0.0887228903,0.0887228903,GGA+U,Imma,A2BC4_oI28_74_ac_b_hi:Cr-Li-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_4h3i:Cr-Li-O, expected LiCr4O14 to be LiCr2O4" +mp-1235526,LiCr2O4,-7.9503344614,-2.0929383683,0.1896117189,0.1896117189,GGA+U,P-4,A2BC4_tP7_81_g_a_h:Cr-Li-O,7.0,A2BC4_mP7_3_ac_b_2e:Cr-Li-O +mp-772941,LiCr2O4,-8.1129398193,-2.2555437262,0.027006361,0.027006361,GGA+U,P4_322,A2BC4_tP28_95_ab_c_2d:Cr-Li-O,28.0,"Invalid WP multiplicities - A2BC4_tP28_95_3a4b_c_9d:Cr-Li-O, expected LiCr7O18 to be LiCr2O4" +mp-771322,LiCr2O4,-8.07822767,-2.2208315769,0.0617185103,0.0617185103,GGA+U,P6_3mc,A2BC4_hP28_186_bc_ab_ab2c:Cr-Li-O,28.0,"Invalid WP multiplicities - A2BC4_hP28_186_2b3c_a2b_a2b9c:Cr-Li-O, expected Li3Cr11O30 to be LiCr2O4" +mp-757087,Li7Cr5O12,-7.3398399579,-2.2986748766,0.0344291206,0.0344291206,GGA+U,C2/m,A5B7C12_mC48_12_agh_dij_2i2j:Cr-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2g2h_c2i2j_4i8j:Cr-Li-O, expected Li13Cr9O40 to be Li7Cr5O12" +mp-1272833,LiCr2O3,-8.19743772,-2.1882570633,0.0755124772,0.0755124772,GGA+U,P1,A2BC3_aP12_1_4a_2a_6a:Cr-Li-O,12.0,A2BC3_aP12_1_4a_2a_6a:Cr-Li-O +mp-1280939,LiCr2O3,-8.1833074925,-2.1741268358,0.0896427047,0.0896427047,GGA+U,C2,A2BC3_mC24_5_2a2b_ab_3c:Cr-Li-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_5_2a2b_ab_5c:Cr-Li-O, expected LiCr2O5 to be LiCr2O3" +mp-755335,LiCr2O3,-8.1943903646,-2.1852097078,0.0785598326,0.0785598326,GGA+U,C2/c,A2BC3_mC48_15_cef_2e_3f:Cr-Li-O,24.0,A2BC3_mC48_15_cef_2e_3f:Cr-Li-O +mp-756332,LiCr2O3,-8.1728287558,-2.1636480991,0.1001214414,0.1001214414,GGA+U,C2/c,A2BC3_mC24_15_2e_e_cf:Cr-Li-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_15_3e_e_2a3f:Cr-Li-O, expected LiCr3O8 to be LiCr2O3" +mp-770681,LiCr10O15,-8.8748155185,-2.2348259709,0.1086217271,0.1086217271,GGA+U,Cmce,A10BC15_oC104_64_f2g_a_bdef2g:Cr-Li-O,52.0,"Invalid WP multiplicities - A10BC15_oC104_64_2f3g_a_2b3d2e4f4g:Cr-Li-O, expected LiCr16O36 to be LiCr10O15" +mp-772671,Li5CrO4,-5.9973074626,-2.0988657978,0.1020506094,0.1020506094,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Cr-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Cr-Li-O, expected Li17CrO13 to be Li5CrO4" +mp-781054,Li2Cr4O13,-7.2675964446,-1.6498601888,0.1048208695,0.1048208695,GGA+U,P-1,A4B2C13_aP57_2_6i_3i_a19i:Cr-Li-O,57.0,"Invalid WP multiplicities - A4B2C13_aP57_2_11i_5i_a37i:Cr-Li-O, expected Li10Cr22O75 to be Li2Cr4O13" +mp-772568,Li2Cr4O13,-7.2664597865,-1.6487235307,0.1059575276,0.1059575276,GGA+U,P-1,A4B2C13_aP57_2_6i_3i_a19i:Cr-Li-O,57.0,"Invalid WP multiplicities - A4B2C13_aP57_2_11i_5i_a37i:Cr-Li-O, expected Li10Cr22O75 to be Li2Cr4O13" +mp-770390,Li2Cr4O13,-7.3490962834,-1.7313600277,0.0233210306,0.0233210306,GGA+U,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:Cr-Li-O,76.0,"Invalid WP multiplicities - A4B2C13_mP76_14_15e_7e_51e:Cr-Li-O, expected Li7Cr15O51 to be Li2Cr4O13" +mp-772323,Li2Cr4O13,-7.3484468309,-1.7307105752,0.0239704831,0.0239704831,GGA+U,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:Cr-Li-O,76.0,"Invalid WP multiplicities - A4B2C13_mP76_14_11e_3e_51e:Cr-Li-O, expected Li3Cr11O51 to be Li2Cr4O13" +mp-773197,Li2Cr4O13,-7.3132372163,-1.6955009605,0.0591800977,0.0591800977,GGA+U,C2/c,A4B2C13_mC76_15_2f_f_e6f:Cr-Li-O,38.0,"Invalid WP multiplicities - A4B2C13_mC76_15_3f_f_2e23f:Cr-Li-O, expected LiCr3O24 to be Li2Cr4O13" +mp-773145,Li2Cr4O13,-7.3198915297,-1.702155274,0.0525257843,0.0525257843,GGA+U,C222_1,A4B2C13_oC76_20_2c_c_a6c:Cr-Li-O,38.0,"Invalid WP multiplicities - A4B2C13_oC76_20_3c_c_2a11c:Cr-Li-O, expected LiCr3O12 to be Li2Cr4O13" +mp-761270,Li9Cr5O12,-7.0635530304,-2.2633296579,0.0657969604,0.0657969604,GGA+U,C2/m,A5B9C12_mC52_12_agh_d2ij_2i2j:Cr-Li-O,26.0,"Invalid WP multiplicities - A5B9C12_mC52_12_a2gh_c4i2j_3i4j:Cr-Li-O, expected Li17Cr7O22 to be Li9Cr5O12" +mp-754575,Li17Cr2O12,-5.6610153642,-2.0765621962,0.0679924559,0.0679924559,GGA+U,P1,A2B17C12_aP31_1_2a_17a_12a:Cr-Li-O,31.0,A2B17C12_aP31_1_2a_17a_12a:Cr-Li-O +mp-756711,Li4CrO4,-6.2936884133,-2.1741891043,0.0177848958,0.0177848958,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Cr-Li-O,18.0,"Invalid WP multiplicities - AB4C4_aP18_2_i_7i_7i:Cr-Li-O, expected Li7CrO7 to be Li4CrO4" +mp-772434,Li4CrO4,-6.2983059444,-2.1788066354,0.0131673647,0.0131673647,GGA+U,Cmcm,AB4C4_oC36_63_c_eg_fg:Cr-Li-O,36.0,AB4C4_oC36_63_c_eg_fg:Cr-Li-O +mp-851096,Li9Cr19O48,-7.7391000576,-1.9755570857,0.0658628294,0.0658628294,GGA+U,P1,A19B9C48_aP76_1_19a_9a_48a:Cr-Li-O,76.0,A19B9C48_aP76_1_19a_9a_48a:Cr-Li-O +mp-851274,Li9Cr19O48,-7.7284438526,-1.9649008807,0.0765190344,0.0765190344,GGA+U,P1,A19B9C48_aP76_1_19a_9a_48a:Cr-Li-O,76.0,A19B9C48_aP76_1_19a_9a_48a:Cr-Li-O +mp-1235174,LiEu2Cr2O8,-8.7538897169,-2.4998488633,0.0499521451,0.0499521451,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Eu-Li-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_7c:Cr-Eu-Li-O, expected LiEu2Cr2O14 to be LiEu2Cr2O8" +mp-1235643,LiEu2Cr2O8,-8.7476579662,-2.4936171126,0.0561838959,0.0561838959,GGA+U,C2,A2B2CD8_mC26_5_c_c_a_4c:Cr-Eu-Li-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_c_c_a_8c:Cr-Eu-Li-O, expected LiEu2Cr2O16 to be LiEu2Cr2O8" +mp-757971,Li7Cr2O8,-6.3848024771,-2.1352692596,0.051444501,0.051444501,GGA+U,P1,A2B7C8_aP17_1_2a_7a_8a:Cr-Li-O,17.0,A2B7C8_aP17_1_2a_7a_8a:Cr-Li-O +mp-771074,Li7CrO6,-5.8378725846,-2.0738983129,0.0559945443,0.0559945443,GGA+U,Cc,AB7C6_mC56_9_a_7a_6a:Cr-Li-O,28.0,"Invalid WP multiplicities - AB7C6_mC56_9_a_14a_11a:Cr-Li-O, expected Li14CrO11 to be Li7CrO6" +mp-772571,Li4CrO5,-6.2237178485,-2.0214995992,0.0594078422,0.0594078422,GGA+U,P-1,AB4C5_aP20_2_i_bd3i_5i:Cr-Li-O,20.0,"Invalid WP multiplicities - AB4C5_aP20_2_i_bd5i_9i:Cr-Li-O, expected Li6CrO9 to be Li4CrO5" +mp-804103,Li4CrO5,-3.9281020245,0.2741162248,2.3550236662,2.3550236662,GGA+U,P-1,AB4C5_aP40_2_2i_be7i_10i:Cr-Li-O,40.0,"Invalid WP multiplicities - AB4C5_aP40_2_3i_be14i_19i:Cr-Li-O, expected Li15Cr3O19 to be Li4CrO5" +mp-770826,Li4CrO5,-6.23204135,-2.0298231007,0.0510843407,0.0510843407,GGA+U,P-1,AB4C5_aP40_2_2i_be7i_10i:Cr-Li-O,40.0,"Invalid WP multiplicities - AB4C5_aP40_2_3i_be14i_19i:Cr-Li-O, expected Li15Cr3O19 to be Li4CrO5" +mp-770688,Li4CrO5,-6.2623879615,-2.0601697122,0.0207377292,0.0207377292,GGA+U,C2/c,AB4C5_mC40_15_e_2f_e2f:Cr-Li-O,20.0,"Invalid WP multiplicities - AB4C5_mC40_15_e_3f_e4f:Cr-Li-O, expected Li6CrO9 to be Li4CrO5" +mp-1374220,Li4CrO5,-5.0218502025,-0.8196319532,1.2612754882,1.2612754882,GGA+U,P-1,AB4C5_aP20_2_i_bc3i_5i:Cr-Li-O,20.0,"Invalid WP multiplicities - AB4C5_aP20_2_i_bc5i_9i:Cr-Li-O, expected Li6CrO9 to be Li4CrO5" +mp-758530,Li15Cr2O12,-5.7646750317,-2.0646680498,0.0704491251,0.0704491251,GGA+U,P1,A2B15C12_aP29_1_2a_15a_12a:Cr-Li-O,29.0,A2B15C12_aP29_1_2a_15a_12a:Cr-Li-O +mp-773174,LiCr4O12,-7.4878530566,-1.6124779224,0.101679355,0.101679355,GGA+U,I4_1/acd,A4BC12_tI136_142_g_b_de2g:Cr-Li-O,68.0,"Invalid WP multiplicities - A4BC12_tI136_142_g_b_2d7e20g:Cr-Li-O, expected LiCr4O98 to be LiCr4O12" +mp-1311453,Li3Cr5O8,-8.0799308725,-2.232086145,0.0680555104,0.0680555104,GGA+U,P-1,A5B3C8_aP32_2_abcdefghi_3i_8i:Cr-Li-O,32.0,"Invalid WP multiplicities - A5B3C8_aP32_2_abcdefghi_3i_14i:Cr-Li-O, expected Li3Cr5O14 to be Li3Cr5O8" +mp-1282829,Li3Cr5O8,-8.0782422287,-2.2303975012,0.0697441542,0.0697441542,GGA+U,C2/m,A5B3C8_mC32_12_abce_df_2ij:Cr-Li-O,32.0,"Invalid WP multiplicities - A5B3C8_mC32_12_2ab2d2f_c2e_2i2j:Cr-Li-O, expected Li5Cr9O12 to be Li3Cr5O8" +mp-1177691,Li3Cr5O8,-8.0334752069,-2.1856304794,0.114511176,0.114511176,GGA+U,R-3m,A5B3C8_hR48_166_abd_e_ch:Cr-Li-O,16.0,"Invalid WP multiplicities - A5B3C8_hR48_166_abd_e_2ch:Cr-Li-O, expected Li3Cr5O10 to be Li3Cr5O8" +mp-762282,Li3Cr5O10,-7.9897706983,-2.2420544171,0.0686529841,0.0686529841,GGA+U,P-1,A5B3C10_aP18_2_a2i_ci_5i:Cr-Li-O,18.0,"Invalid WP multiplicities - A5B3C10_aP18_2_a4i_ci_10i:Cr-Li-O, expected Li3Cr9O20 to be Li3Cr5O10" +mp-772426,Li2Cr3O10,-7.188108706,-1.7051836889,0.1015027242,0.1015027242,GGA+U,P2_1/c,A3B2C10_mP60_14_3e_2e_10e:Cr-Li-O,60.0,"Invalid WP multiplicities - A3B2C10_mP60_14_9e_5e_37e:Cr-Li-O, expected Li5Cr9O37 to be Li2Cr3O10" +mp-1185344,LiEuO3,-7.397550944,-1.9963527839,0.2644433971,0.2644433971,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Li-O,5.0,ABC3_cP5_221_a_b_c:Eu-Li-O +mp-22586,EuCrO4,-9.1258911425,-2.5097571233,0.0,-0.1438428008,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Eu-O,12.0,ABC4_tI24_141_a_b_h:Cr-Eu-O +mp-758582,Li5Cr5O12,-7.4912322005,-2.1653178269,0.1017241272,0.1017241272,GGA+U,P1,A5B5C12_aP44_1_10a_10a_24a:Cr-Li-O,44.0,A5B5C12_aP44_1_10a_10a_24a:Cr-Li-O +mp-770652,LiCr3O9,-7.4965528509,-1.6974556449,0.0647069677,0.0647069677,GGA+U,Cc,A3BC9_mC156_9_9a_3a_27a:Cr-Li-O,78.0,"Invalid WP multiplicities - A3BC9_mC156_9_16a_5a_53a:Cr-Li-O, expected Li5Cr16O53 to be LiCr3O9" +mp-1280547,Li2CrO3,-6.9314778554,-2.2129846326,0.0439653617,0.0439653617,GGA+U,P-1,AB2C3_aP12_2_i_aci_3i:Cr-Li-O,24.0,AB2C3_aP12_2_i_aci_3i:Cr-Li-O +mp-1301792,Li2CrO3,-6.9314402858,-2.212947063,0.0440029312,0.0440029312,GGA+U,C2,AB2C3_mC48_5_2c_ab3c_6c:Cr-Li-O,24.0,AB2C3_mC24_12_i_adi_3i:Cr-Li-O +mp-770192,Li2CrO3,-6.92169923,-2.2032060072,0.0537439871,0.0537439871,GGA+U,Cc,AB2C3_mC24_9_a_2a_3a:Cr-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_9_a_3a_5a:Cr-Li-O, expected Li3CrO5 to be Li2CrO3" +mp-775130,Li2CrO3,-6.9233131292,-2.2048199063,0.0521300879,0.0521300879,GGA+U,C2/m,AB2C3_mC24_12_i_aci_3i:Cr-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_adi_5i:Cr-Li-O, expected Li2CrO5 to be Li2CrO3" +mp-755795,Li2CrO3,-6.9680996025,-2.2496063797,0.0073436146,0.0073436146,GGA+U,C2/c,AB2C3_mC24_15_e_f_ef:Cr-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_f_e2f:Cr-Li-O, expected Li2CrO5 to be Li2CrO3" +mp-770628,Li2CrO3,-6.9537390725,-2.2352458497,0.0217041446,0.0217041446,GGA+U,C2/c,AB2C3_mC48_15_2e_cef_3f:Cr-Li-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2c2e3f_9f:Cr-Li-O, expected Li10Cr3O18 to be Li2CrO3" +mp-756005,Li2CrO3,-6.9036661408,-2.185172918,0.0717770762,0.0717770762,GGA+U,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Li-O,12.0,AB2C3_oC24_36_a_b_ab:Cr-Li-O +mp-764409,Li2CrO3,-6.8734534792,-2.1549602563,0.1019897379,0.1019897379,GGA+U,Pnna,AB2C3_oP24_52_c_2c_de:Cr-Li-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_52_c_3c_3d2e:Cr-Li-O, expected Li3CrO7 to be Li2CrO3" +mp-755602,Li2CrO3,-6.87268061,-2.1541873872,0.1027626071,0.1027626071,GGA+U,Cmmm,AB2C3_oC12_65_a_h_bh:Cr-Li-O,6.0,AB2C3_oC12_65_a_h_bh:Cr-Li-O +mp-753258,Li3CrO4,-6.518272265,-2.1224509006,0.0583450906,0.0217186426,GGA+U,P1,AB3C4_aP16_1_2a_6a_8a:Cr-Li-O,16.0,AB3C4_aP16_1_2a_6a_8a:Cr-Li-O +mp-770728,Li3CrO4,-6.5021411631,-2.1063197988,0.0744761925,0.0378497445,GGA+U,P2,AB3C4_mP48_3_ab2e_ab2c2d6e_12e:Cr-Li-O,48.0,"Invalid WP multiplicities - AB3C4_mP48_3_ab4e_ab2c2d12e_23e:Cr-Li-O, expected Li15Cr5O23 to be Li3CrO4" +mp-1307472,Li3CrO4,-6.5076204169,-2.1117990525,0.0689969388,0.0323704907,GGA+U,Pc,AB3C4_mP16_7_a_3a_4a:Cr-Li-O,16.0,AB3C4_mP16_7_a_3a_4a:Cr-Li-O +mp-756569,Li3CrO4,-6.501024305,-2.1052029406,0.0755930506,0.0389666026,GGA+U,P2/c,AB3C4_mP16_13_e_e2f_2g:Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4_mP16_13_e_e4f_7g:Cr-Li-O, expected Li5CrO14 to be Li3CrO4" +mp-770928,Li3CrO4,-6.5016218312,-2.1058004669,0.0749955244,0.0383690764,GGA+U,C2/c,AB3C4_mC64_15_f_3f_4f:Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4_mC64_15_f_7f_13f:Cr-Li-O, expected Li7CrO13 to be Li3CrO4" +mp-770632,Li3CrO4,-6.5766173556,-2.1807959913,0.0,-0.036626448,GGA+U,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4_oP16_31_a_2a2b_4a2b:Cr-Li-O, expected Li6CrO8 to be Li3CrO4" +mp-850964,Li3CrO4,-6.4895354956,-2.0937141312,0.08708186,0.050455412,GGA+U,Cmc2_1,AB3C4_oC32_36_a_ab_2ab:Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4_oC32_36_a_2a2b_4a4b:Cr-Li-O, expected Li6CrO12 to be Li3CrO4" +mp-754470,Li3CrO4,-6.4925292597,-2.0967078953,0.0840880959,0.0474616479,GGA+U,Cmmm,AB3C4_oC16_65_a_bf_gj:Cr-Li-O,32.0,AB3C4_oC16_65_a_bf_gj:Cr-Li-O +mp-772659,Li3CrO4,-6.4870481153,-2.0912267509,0.0895692403,0.0529427923,GGA+U,P4_122,AB3C4_tP32_91_a_a2b_2d:Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4_tP32_91_a_3a7b_7d:Cr-Li-O, expected Li10CrO14 to be Li3CrO4" +mp-1185311,LiCrO3,-6.947906294,-1.6674989999,0.4093665552,0.4093665552,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Li-O,5.0,ABC3_cP5_221_b_a_c:Cr-Li-O +mp-764428,Li12Cr5O16,-6.6985193433,-2.143388097,0.0958411716,0.0958411716,GGA+U,P1,A5B12C16_aP33_1_5a_12a_16a:Cr-Li-O,33.0,A5B12C16_aP33_1_5a_12a_16a:Cr-Li-O +mp-772581,LiCr6O11,-8.4994875503,-2.1527773553,0.080749667,0.080749667,GGA+U,P6_3mc,A6BC11_hP36_186_2abc_b_2b3c:Cr-Li-O,36.0,"Invalid WP multiplicities - A6BC11_hP36_186_4a2b3c_b_4b16c:Cr-Li-O, expected LiCr15O52 to be LiCr6O11" +mp-771884,Li4Cr3O8,-7.253243164,-2.1753535929,0.0844512324,0.0844512324,GGA+U,R-3m,A3B4C8_hR45_166_d_abc_ch:Cr-Li-O,15.0,"Invalid WP multiplicities - A3B4C8_hR45_166_d_ab2c_2c2h:Cr-Li-O, expected Li6Cr3O16 to be Li4Cr3O8" +mp-781691,Li6Cr5O12,-7.4195705452,-2.2422210198,0.0695675186,0.0695675186,GGA+U,P2_1,A5B6C12_mP46_4_5a_6a_12a:Cr-Li-O,46.0,"Invalid WP multiplicities - A5B6C12_mP46_4_6a_11a_22a:Cr-Li-O, expected Li11Cr6O22 to be Li6Cr5O12" +mp-850464,Li5Cr4O8,-7.3766025496,-2.2159958494,0.1051705051,0.1051705051,GGA+U,P2_12_12_1,A4B5C8_oP68_19_4a_5a_8a:Cr-Li-O,68.0,"Invalid WP multiplicities - A4B5C8_oP68_19_10a_17a_29a:Cr-Li-O, expected Li17Cr10O29 to be Li5Cr4O8" +mp-849547,Li5Cr4O8,-7.3804072947,-2.2198005945,0.10136576,0.10136576,GGA+U,Cmc2_1,A4B5C8_oC68_36_2ab_3ab_4a2b:Cr-Li-O,34.0,"Invalid WP multiplicities - A4B5C8_oC68_36_3a3b_6a3b_7a7b:Cr-Li-O, expected Li4Cr3O7 to be Li5Cr4O8" +mp-1098000,LiEu3O4,-9.6049100719,-3.0465746829,0.0,-0.0680904716,GGA,Pnma,A3BC4_oP32_62_3c_c_4c:Eu-Li-O,32.0,A3BC4_oP32_62_3c_c_4c:Eu-Li-O +mp-1019724,LiEuO2,-8.2674029,-2.7525773777,0.0114124223,0.0114124223,GGA,Pnma,ABC2_oP16_62_c_c_2c:Eu-Li-O,16.0,ABC2_oP16_62_c_c_2c:Eu-Li-O +mp-753141,Li5Cr2O8,-6.6362090087,-2.0745944111,0.0633640094,0.0633640094,GGA+U,P1,A2B5C8_aP15_1_2a_5a_8a:Cr-Li-O,15.0,A2B5C8_aP15_1_2a_5a_8a:Cr-Li-O +mp-1276717,Li2CrO2,-6.6982382095,-2.0253840843,0.0843623205,0.0843623205,GGA+U,P-1,AB2C2_aP10_2_i_2i_2i:Cr-Li-O,20.0,AB2C2_mC10_12_a_i_i:Cr-Li-O +mp-1281428,Li2CrO2,-6.6969639405,-2.0241098153,0.0856365895,0.0856365895,GGA+U,P2_1/m,AB2C2_mP10_11_e_2e_2e:Cr-Li-O,20.0,AB2C2_mC10_12_a_i_i:Cr-Li-O +mp-755566,Li2CrO2,-6.7062263325,-2.0333722073,0.0763741975,0.0763741975,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Cr-Li-O,20.0,AB2C2_mC10_12_a_i_i:Cr-Li-O +mp-1272606,Li2CrO2,-6.754038475,-2.0811843498,0.028562055,0.028562055,GGA+U,C2/m,AB2C2_mC20_12_i_j_gh:Cr-Li-O,20.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_j_2g3h:Cr-Li-O, expected Li2CrO5 to be Li2CrO2" +mp-1291459,Li2CrO2,-6.7502130675,-2.0773589423,0.0323874625,0.0323874625,GGA+U,C2/m,AB2C2_mC20_12_i_2i_2i:Cr-Li-O,20.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_7i_7i:Cr-Li-O, expected Li7CrO7 to be Li2CrO2" +mp-754913,Li2CrO2,-6.662522099,-1.9896679738,0.120078431,0.120078431,GGA+U,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Cr-Li-O,10.0,"Invalid WP multiplicities - AB2C2_oC20_36_a_4a_4a:Cr-Li-O, expected Li4CrO4 to be Li2CrO2" +mp-1178001,Li2CrO2,-6.7625524135,-2.0896982883,0.0200481165,0.0200481165,GGA+U,Immm,AB2C2_oI10_71_a_e_f:Cr-Li-O,20.0,AB2C2_oI10_71_a_e_f:Cr-Li-O +mp-768634,Li3Cr4O8,-7.9105962713,-2.3164317267,0.0336959141,0.0336959141,GGA+U,R-3m,A4B3C8_hR45_166_ae_d_ch:Cr-Li-O,30.0,A4B3C8_hR45_166_ae_d_ch:Cr-Li-O +mp-770871,Li6Cr2O7,-6.5157784657,-2.1566815911,0.0612828067,0.0612828067,GGA+U,P2/c,A2B6C7_mP30_13_g_3g_e3g:Cr-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_13_g_11g_2e11g:Cr-Li-O, expected Li11CrO12 to be Li6Cr2O7" +mp-770694,Li6Cr2O7,-6.5270287657,-2.1679318911,0.0500325067,0.0500325067,GGA+U,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Cr-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_11e_2a7e:Cr-Li-O, expected Li11CrO8 to be Li6Cr2O7" +mp-1368955,Li6Cr2O7,-6.4612276317,-2.1021307571,0.1158336407,0.1158336407,GGA+U,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Cr-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_11e_2a7e:Cr-Li-O, expected Li11CrO8 to be Li6Cr2O7" +mp-770924,Li6Cr2O7,-6.4609880857,-2.1018912111,0.1160731867,0.1160731867,GGA+U,C2/c,A2B6C7_mC60_15_f_3f_e3f:Cr-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mC60_15_f_9f_2e8f:Cr-Li-O, expected Li9CrO9 to be Li6Cr2O7" +mp-772650,Li2Cr5O12,-7.8535506037,-1.9881112554,0.0753412219,0.0753412219,GGA+U,Pbcn,A5B2C12_oP76_60_c2d_d_6d:Cr-Li-O,76.0,"Invalid WP multiplicities - A5B2C12_oP76_60_2c6d_d_21d:Cr-Li-O, expected LiCr7O21 to be Li2Cr5O12" +mp-753796,Li6CrO6,-5.9015294231,-1.9948588894,0.0816903759,0.0816903759,GGA+U,Cc,AB6C6_mC52_9_a_6a_6a:Cr-Li-O,26.0,"Invalid WP multiplicities - AB6C6_mC52_9_a_12a_10a:Cr-Li-O, expected Li12CrO10 to be Li6CrO6" +mp-770687,LiCr2O5,-7.7152958991,-1.9717382287,0.0945086398,0.0945086398,GGA+U,Pnma,A2BC5_oP32_62_ac_c_3cd:Cr-Li-O,32.0,"Invalid WP multiplicities - A2BC5_oP32_62_2a2c_c_9c4d:Cr-Li-O, expected LiCr4O17 to be LiCr2O5" +mp-554940,LiCr3O8,-7.7761351196,-1.9060038724,0.0030056246,0.0017380919,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-Li-O,24.0,A3BC8_mC24_12_ai_c_2ij:Cr-Li-O +mp-674219,LiCr3O8,-7.7791407442,-1.9090094969,0.0,-0.0012675326,GGA+U,Pnnm,A3BC8_oP24_58_ag_c_2gh:Cr-Li-O,24.0,"Invalid WP multiplicities - A3BC8_oP24_58_a2g_c_2gh:Cr-Li-O, expected LiCr5O8 to be LiCr3O8" +mp-772513,LiCr3O8,-7.7350965621,-1.8649653149,0.0440441821,0.0427766494,GGA+U,Pnma,A3BC8_oP48_62_3c_c_4c2d:Cr-Li-O,48.0,"Invalid WP multiplicities - A3BC8_oP48_62_9c_c_13c8d:Cr-Li-O, expected LiCr9O29 to be LiCr3O8" +mp-758744,Li2Cr3O6,-7.9330682686,-2.2551482313,0.0734774607,0.0734774607,GGA+U,Cc,A3B2C6_mC44_9_3a_2a_6a:Cr-Li-O,22.0,A3B2C6_mC44_9_6a_4a_12a:Cr-Li-O +mp-753941,Li2Cr3O6,-7.9089571027,-2.2310370654,0.0975886266,0.0975886266,GGA+U,Cmce,A3B2C6_oC44_64_ad_e_fg:Cr-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_oC44_64_ad_e_2f2g:Cr-Li-O, expected Li2Cr3O12 to be Li2Cr3O6" +mp-758437,Li2Cr3O6,-7.9220104232,-2.2440903858,0.0845353061,0.0845353061,GGA+U,Fddd,A3B2C6_oF88_70_ae_e_fh:Cr-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_oF88_70_2ae_e_4f3h:Cr-Li-O, expected LiCr2O10 to be Li2Cr3O6" +mp-753172,Li4Cr5O10,-7.8732823226,-2.3276078,0.0349683375,0.0349683375,GGA+U,P-1,A5B4C10_aP38_2_bd4i_4i_10i:Cr-Li-O,38.0,"Invalid WP multiplicities - A5B4C10_aP38_2_2a6i_6i_15i:Cr-Li-O, expected Li6Cr7O15 to be Li4Cr5O10" +mp-1076286,Eu2Cr2O5,-8.4416518206,-1.2690360321,1.4415429372,1.4415429372,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cr-Eu-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cr-Eu-O +mp-728431,Li2Cr2O9,-6.2719760392,-1.0685807258,0.5361617579,0.5361617579,GGA+U,C2/c,A2B2C9_mC52_15_f_f_e4f:Cr-Li-O,26.0,A2B2C9_mC52_15_f_f_e4f:Cr-Li-O +mp-1237680,Li2Cr2O9,-6.3982357935,-1.19484048,0.4099020037,0.4099020037,GGA+U,C2/c,A2B2C9_mC52_15_f_f_e4f:Cr-Li-O,26.0,A2B2C9_mC52_15_f_f_e4f:Cr-Li-O +mp-556086,Na5FeS4,-4.2848142684,-1.1219695539,0.0045887606,0.0045887606,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Na-S,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_35c_27c:Fe-Na-S, expected Na35FeS27 to be Na5FeS4" +mp-28789,Na4Cu2S3,-3.8620145239,-0.9844740667,0.0,-0.0194738112,GGA,I4_1/a,A2B4C3_tI144_88_2f_ab3e2f_3f:Cu-Na-S,72.0,A2B4C3_tI144_88_2f_ab3e2f_3f:Cu-Na-S +mp-640073,FeCuS2,-5.7230502875,-0.5125183841000001,0.1235632662,0.1235632662,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cu-Fe-S,4.0,ABC2_tP4_115_a_c_g:Cu-Fe-S +mp-1224949,FeCuS2,-5.5703869725,-0.3598550691,0.2762265813,0.2762265813,GGA,P-4m2,ABC2_tP4_115_a_d_g:Cu-Fe-S,4.0,ABC2_tP4_115_a_d_g:Cu-Fe-S +mp-3497,FeCuS2,-5.7254445,-0.5149125966,0.1211690538,0.1211690538,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-Fe-S,8.0,ABC2_tI16_122_a_b_d:Cu-Fe-S +mp-753211,FeCuS2,-5.67660603,-0.4660741266,0.1700075237,0.1700075237,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cu-Fe-S,4.0,ABC2_hP4_156_a_b_ab:Cu-Fe-S +mp-1096975,FeCuS2,-5.7184982475,-0.5079663441,0.1281153062,0.1281153062,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-Fe-S,4.0,ABC2_hR12_160_a_a_2a:Cu-Fe-S +mp-28317,NaCu5S3,-4.1303435211,-0.3272426051,0.1676044776,0.1676044776,GGA,P6_322,A5BC3_hP18_182_fh_b_g:Cu-Na-S,18.0,A5BC3_hP18_182_fh_b_g:Cu-Na-S +mp-540724,Fe4Cu2S7,-5.9469931365,-0.4828664251,0.2208881681,0.2208881681,GGA,Pmma,A2B4C7_oP26_51_i_l_e2f2k:Cu-Fe-S,26.0,A2B4C7_oP26_51_i_l_e2f2k:Cu-Fe-S +mp-27321,Na3(CuS)4,-4.1539091755,-0.7984362638,0.0,-0.0247265108,GGA,Pbam,A4B3C4_oP22_55_gh_ah_gh:Cu-Na-S,22.0,"Invalid WP multiplicities - A4B3C4_oP22_55_3g4h_b2g_g2h:Cu-Na-S, expected Na5(Cu7S3)2 to be Na3(CuS)4" +mp-1221394,Na2Fe3S4,-5.71482858,-0.759171504,0.1565720161,0.1565720161,GGA,Cm,A3B2C4_mC18_8_3a_2a_4a:Fe-Na-S,9.0,A3B2C4_mC18_8_3a_2a_4a:Fe-Na-S +mp-561456,Na3FeS3,-4.6196014164,-1.0700376034,0.0115882807,0.0115882807,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Na-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_10e_10e:Fe-Na-S, expected Na10FeS10 to be Na3FeS3" +mp-1078387,FeCu3S4,-5.1984276862,-0.5342476003000001,0.0106018173,0.0106018173,GGA,I-42m,A3BC4_tI16_121_ad_b_i:Cu-Fe-S,8.0,A3BC4_tI16_121_ad_b_i:Cu-Fe-S +mp-532329,Fe3(CuS5)2,-5.6360039208,-0.6378055449000001,0.0441294708,0.0441294708,GGA,P1,A2B3C10_aP60_1_8a_12a_40a:Cu-Fe-S,60.0,A2B3C10_aP60_1_8a_12a_40a:Cu-Fe-S +mp-36345,FeCu3S8,-5.0055428892,-0.5172728763000001,0.0192600196,0.0192600196,GGA,P2_1/c,A3BC8_mP24_14_ae_d_4e:Cu-Fe-S,24.0,"Invalid WP multiplicities - A3BC8_mP24_14_2a3e_b_15e:Cu-Fe-S, expected Fe(Cu4S15)2 to be FeCu3S8" +mp-1224980,FeCu3S8,-5.0128009325,-0.5245309196,0.0120019763,0.0120019763,GGA,R-3,A3BC8_hR36_148_d_b_cf:Cu-Fe-S,12.0,"Invalid WP multiplicities - A3BC8_hR36_148_d_b_2c2f:Cu-Fe-S, expected FeCu3S16 to be FeCu3S8" +mp-505351,Na3(FeS2)2,-5.0196684383,-0.8581775752,0.1515125467,0.1515125467,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Na-S,36.0,A2B3C4_oP36_62_d_cd_2cd:Fe-Na-S +mp-29069,Na(CuS)4,-4.4030518856,-0.5958128366000001,0.0,-0.0066797879,GGA,P-3m1,A4BC4_hP9_164_2d_a_cd:Cu-Na-S,9.0,A4BC4_hP9_164_2d_a_cd:Cu-Na-S +mp-17625,Na2Cu4S3,-4.1611783594,-0.6665975964,0.017891747,0.017891747,GGA,C2/m,A4B2C3_mC36_12_4i_2i_3i:Cu-Na-S,18.0,"Invalid WP multiplicities - A4B2C3_mC36_12_5i_2i_4i:Cu-Na-S, expected Na2Cu5S4 to be Na2Cu4S3" +mp-672709,Fe(CuS)2,-5.282160179,-0.2938933222,0.214971998,0.214971998,GGA,F-43m,A2BC2_cF80_216_2e_e_abg:Cu-Fe-S,20.0,"Invalid WP multiplicities - A2BC2_cF80_216_4e_e_ab3g:Cu-Fe-S, expected FeCu4S5 to be Fe(CuS)2" +mp-672708,Fe(CuS)2,-5.3188117005,-0.3305448437,0.1783204765,0.1783204765,GGA,F-43m,A2BC2_cF80_216_2e_e_abg:Cu-Fe-S,20.0,"Invalid WP multiplicities - A2BC2_cF80_216_5e_e_ab2g:Cu-Fe-S, expected Fe2Cu10S7 to be Fe(CuS)2" +mp-504587,Fe9Cu9S16,-5.7810073671,-0.5072941674,0.1057042451,0.1057042451,GGA,P-42m,A9B9C16_tP34_111_ajn_bcdek_2no:Cu-Fe-S,34.0,A9B9C16_tP34_111_ajn_bcdek_2no:Cu-Fe-S +mp-9266,Na6FeS4,-4.0942340932,-1.0986911443,0.0466211991,0.0466211991,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Fe-Na-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_2c_b2c:Fe-Na-S, expected Na6FeS7 to be Na6FeS4" +mp-28100,NaFeS2,-5.3646204862,-0.848258927,0.1210358813,0.1210358813,GGA,I222,ABC2_oI16_23_ac_e_k:Fe-Na-S,8.0,ABC2_oI16_23_ac_e_k:Fe-Na-S +mp-675830,FeCu5S4,-4.909749264,-0.3585638612,0.0789916921,0.0789916921,GGA,Pm,A5BC4_mP10_6_2a3b_a_2a2b:Cu-Fe-S,10.0,A5BC4_mP10_6_2a3b_a_2a2b:Cu-Fe-S +mp-760980,FeCu5S4,-4.8875234370000005,-0.3363380342,0.1012175191,0.1012175191,GGA,R3m,A5BC4_hR30_160_5a_a_4a:Cu-Fe-S,10.0,A5BC4_hR30_160_5a_a_4a:Cu-Fe-S +mp-28807,Na7(Cu6S5)2,-4.1675203216,-0.7257046056,0.0020059835,0.0020059835,GGA,P2/m,A12B7C10_mP58_10_6m6n_ad2m4n_5m5n:Cu-Na-S,58.0,A12B7C10_mP58_10_6m6n_cd2m4n_5m5n:Cu-Na-S +mp-1225005,Fe2CuS3,-6.0787842683,-0.5040178199,0.1726749317,0.1726749317,GGA,P1,AB2C3_aP24_1_4a_8a_12a:Cu-Fe-S,24.0,AB2C3_aP24_1_4a_8a_12a:Cu-Fe-S +mp-603934,Fe2CuS3,-5.8747007308,-0.2999342824,0.3767584692,0.3767584692,GGA,Pnma,AB2C3_oP24_62_c_d_cd:Cu-Fe-S,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_d_2c2d:Cu-Fe-S, expected Fe2CuS6 to be Fe2CuS3" +mp-605485,Fe2CuS3,-6.0689601171,-0.4941936686,0.1824990829,0.1824990829,GGA,Pnma,AB2C3_oP24_62_c_d_cd:Cu-Fe-S,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_d_4c5d:Cu-Fe-S, expected Fe2CuS14 to be Fe2CuS3" +mp-1224687,Fe2CuS3,-6.04305948,-0.4682930316,0.20839972,0.20839972,GGA,P3m1,AB2C3_hP6_156_a_bc_abc:Cu-Fe-S,6.0,AB2C3_hP6_156_a_bc_abc:Cu-Fe-S +mp-1222418,NaFeCuS2,-5.151269366,-0.7183387846,0.0889147829,0.0889147829,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Na-S,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Na-S +mp-1190427,LaSbO4,-7.6595489192,-2.8509217208,0.0,-0.0529340317,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:La-O-Sb,24.0,AB4C_mP24_14_e_4e_e:La-O-Sb +mp-1104307,La3SbO3,-7.9986977271,-3.173399343,0.0,-0.0161173105,GGA,C2/m,A3B3C_mC28_12_3i_3i_i:La-O-Sb,14.0,A3B3C_mC28_12_3i_3i_i:La-O-Sb +mp-31418,La(SbO3)3,-7.0693715188,-2.3122015784,0.0,-0.0748447346,GGA,Cmcm,AB9C3_oC52_63_c_c2fh_af:La-O-Sb,26.0,"Invalid WP multiplicities - AB9C3_oC52_63_c_c3fh_af:La-O-Sb, expected LaSb3O11 to be La(SbO3)3" +mp-705680,La2Mo2O9,-8.6466751038,-2.7940971937,0.042248867,0.042248867,GGA+U,P1,A2B2C9_aP26_1_4a_4a_18a:La-Mo-O,26.0,A2B2C9_aP26_1_4a_4a_18a:La-Mo-O +mp-30163,La2Mo4O15,-8.5778458102,-2.5085626998,0.0076161316,0.0076161316,GGA+U,P2_1/c,A2B4C15_mP84_14_2e_4e_15e:La-Mo-O,84.0,A2B4C15_mP84_14_2e_4e_15e:La-Mo-O +mp-1198351,La2Mo4O15,-8.5704685337,-2.5011854233,0.0149934081,0.0149934081,GGA+U,P2_1/c,A2B4C15_mP252_14_6e_12e_45e:La-Mo-O,252.0,A2B4C15_mP252_14_6e_12e_45e:La-Mo-O +mp-542503,La9(SbO)5,-7.1929660445,-2.4665179549,0.0,-0.0278115654,GGA,P4/n,A9B5C5_tP38_85_c2g_cg_cg:La-O-Sb,38.0,A9B5C5_tP38_85_c2g_cg_cg:La-O-Sb +mp-31419,LaSb5O12,-6.9025134094,-2.1835535294,0.0,-0.00768649,GGA,R-3m,AB12C5_hR54_166_a_2h_cd:La-O-Sb,18.0,AB12C5_hR54_166_a_2h_cd:La-O-Sb +mp-558000,LaSbMo2O9,-8.1878918185,-2.3973912826,0.0,-0.0025732891,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:La-Mo-O-Sb,52.0,"Invalid WP multiplicities - AB2C9D_mC104_15_2e_7f_34f_f:La-Mo-O-Sb, expected LaSbMo7O34 to be LaSbMo2O9" +mp-1211710,La3Sb5O12,-7.3812035335,-2.640538931,0.0,-0.0556760307,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:La-O-Sb,40.0,A3B12C5_cI80_217_d_2g_ce:La-O-Sb +mp-756689,La2SbO6,-7.7522892061,-2.8988283486,0.1122057817,0.1122057817,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:La-O-Sb,18.0,"Invalid WP multiplicities - A2B6C_mP18_14_e_9e_a:La-O-Sb, expected La2SbO18 to be La2SbO6" +mp-1211854,LaMoO5,-8.2817636489,-2.4938921102,0.1398578034,0.1398578034,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:La-Mo-O,28.0,ABC5_mP28_14_e_e_5e:La-Mo-O +mp-25202,La2MoO6,-8.7191445144,-3.1193893381,0.0592047517,-0.0087136344,GGA+U,P2_1/c,A2BC6_mP18_14_e_a_3e:La-Mo-O,18.0,"Invalid WP multiplicities - A2BC6_mP18_14_e_a_9e:La-Mo-O, expected La2MoO18 to be La2MoO6" +mp-546007,La2MoO6,-8.7181791322,-3.1184239558,0.0601701339,-0.0077482521,GGA+U,I-42m,A2BC6_tI18_121_e_a_di:La-Mo-O,9.0,A2BC6_tI18_121_e_a_di:La-Mo-O +mp-19300,La2MoO6,-8.7783492661,-3.1785940897,0.0,-0.067918386,GGA+U,I4_1/acd,A2BC6_tI72_142_d_a_eg:La-Mo-O,36.0,A2BC6_tI72_142_d_a_eg:La-Mo-O +mp-1387033,La2MoO6,-8.6373925089,-3.0376373325,0.1409567572,0.0730383712,GGA+U,R-3,A2BC6_hR27_148_c_a_f:La-Mo-O,9.0,A2BC6_hR27_148_c_a_f:La-Mo-O +mp-1211406,LaMoO2,-8.4533586444,-2.034599985,0.7911986642000001,0.7911986642000001,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:La-Mo-O,16.0,ABC2_tI32_141_c_d_h:La-Mo-O +mp-647867,La4Mo7O27,-8.6049987534,-2.5727836377,0.0055691578,0.0055691578,GGA+U,Pca2_1,A4B7C27_oP152_29_4a_7a_27a:La-Mo-O,152.0,"Invalid WP multiplicities - A4B7C27_oP152_29_13a_24a_107a:La-Mo-O, expected La13Mo24O107 to be La4Mo7O27" +mp-1197618,La16(Mo3O8)7,-8.8599317928,-2.5830572356,0.1558134963,0.1558134963,GGA+U,P2_1/c,A16B21C56_mP186_14_8e_a10e_28e:La-Mo-O,186.0,A16B21C56_mP186_14_8e_a10e_28e:La-Mo-O +mp-705132,La5(Mo2O7)3,-8.7982868844,-2.7472119118,0.0658389644,0.0658389644,GGA+U,P2_12_12_1,A5B6C21_oP128_19_5a_6a_21a:La-Mo-O,128.0,"Invalid WP multiplicities - A5B6C21_oP128_19_17a_22a_81a:La-Mo-O, expected La17Mo22O81 to be La5(Mo2O7)3" +mp-14748,La4Mo2O11,-8.8318004332,-3.1936295824,0.0110009529,0.0110009529,GGA+U,P4_2/n,A4B2C11_tP68_86_2g_g_ab5g:La-Mo-O,68.0,"Invalid WP multiplicities - A4B2C11_tP68_86_2g_g_ab9g:La-Mo-O, expected La4Mo2O19 to be La4Mo2O11" +mp-699145,La(Mo4O7)2,-8.8414577404,-1.8434207863,0.2336461454,0.2336461454,GGA+U,P1,AB8C14_aP138_1_6a_48a_84a:La-Mo-O,138.0,AB8C14_aP138_1_6a_48a_84a:La-Mo-O +mp-1199742,La(Mo4O7)2,-8.8640160548,-1.8659791008,0.2110878309,0.2110878309,GGA+U,Pbcn,AB8C14_oP184_60_ac_8d_2c13d:La-Mo-O,184.0,AB8C14_oP184_60_ac_8d_2c13d:La-Mo-O +mp-19436,La7Mo7O30,-8.7330933291,-2.8496328327,0.0084770087,0.0084770087,GGA+U,R-3,A7B7C30_hR132_148_af_bf_5f:La-Mo-O,44.0,"Invalid WP multiplicities - A7B7C30_hR132_148_af_bf_6f:La-Mo-O, expected La7Mo7O36 to be La7Mo7O30" +mp-1105399,La2MoO5,-8.8082397844,-3.1268512998,0.0946689634,0.0946689634,GGA+U,I4/m,A2BC5_tI32_87_h_e_di:La-Mo-O,16.0,A2BC5_tI32_87_h_e_di:La-Mo-O +mp-554402,La2(MoO4)3,-8.6415811675,-2.6551559277,0.0,-0.0097233738,GGA+U,C2/c,A2B3C12_mC204_15_3f_e4f_18f:La-Mo-O,102.0,"Invalid WP multiplicities - A2B3C12_mC204_15_8f_e14f_70f:La-Mo-O, expected La16Mo29O140 to be La2(MoO4)3" +mp-1223417,La2(MoO4)3,-8.6378837482,-2.6514585085,0.0036974192,-0.0060259546,GGA+U,C2/c,A2B3C12_mC68_15_f_ef_6f:La-Mo-O,34.0,"Invalid WP multiplicities - A2B3C12_mC68_15_f_2e3f_22f:La-Mo-O, expected La(Mo2O11)2 to be La2(MoO4)3" +mp-29581,La2Mo2O7,-8.7843896259,-2.7671045888,0.1273837984,0.1273837984,GGA+U,Pnnm,A2B2C7_oP22_58_g_g_a3g:La-Mo-O,22.0,A2B2C7_oP22_58_g_g_a3g:La-Mo-O +mp-29150,La3MoO7,-8.8565393659,-3.3764946019,0.0,-0.0280293627,GGA+U,P2_12_12_1,A3BC7_oP44_19_3a_a_7a:La-Mo-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_19_4a_a_10a:La-Mo-O, expected La4MoO10 to be La3MoO7" +mp-1203257,La3MoO7,-8.8290384159,-3.3489936519,0.02750095,-0.0005284127,GGA+U,Pnma,A3BC7_oP44_62_cd_c_c3d:La-Mo-O,44.0,A3BC7_oP44_62_cd_c_c3d:La-Mo-O +mp-1212125,La4(MoO4)9,-8.237196572,-2.2078971228,0.1060133998,0.1060133998,GGA+U,I-43d,A4B9C36_cI196_220_c_ad_3e:La-Mo-O,98.0,A4B9C36_cI196_220_c_ad_3e:La-Mo-O +mp-31128,La6Mo8O33,-8.6535736135,-2.7041699756,0.0011023719,0.0011023719,GGA+U,P2_1,A6B8C33_mP94_4_6a_8a_33a:La-Mo-O,94.0,A6B8C33_mP94_4_6a_8a_33a:La-Mo-O +mp-674986,La3(MoO5)2,-8.6878691473,-2.9567885708,0.1061864483,0.1061864483,GGA+U,P1,A3B2C10_aP15_1_3a_2a_10a:La-Mo-O,15.0,A3B2C10_aP15_1_3a_2a_10a:La-Mo-O +mp-3911,LaMo5O8,-8.8130965929,-1.7603989254,0.3518088584,0.3518088584,GGA+U,P2_1/c,AB5C8_mP56_14_e_5e_8e:La-Mo-O,56.0,"Invalid WP multiplicities - AB5C8_mP56_14_e_7e_8e:La-Mo-O, expected LaMo7O8 to be LaMo5O8" +mp-654080,La5(Mo16O27)2,-8.8739967958,-1.8535349337,0.2379487578,0.2379487578,GGA+U,P2_1/c,A5B32C54_mP182_14_a2e_16e_27e:La-Mo-O,182.0,"Invalid WP multiplicities - A5B32C54_mP182_14_2a5e_60e_105e:La-Mo-O, expected La2(Mo4O7)5 to be La5(Mo16O27)2" +mp-1223266,La5(MoO4)4,-8.8331457576,-2.9447595438,0.0571613775,0.0571613775,GGA+U,P-1,A5B4C16_aP25_2_b2i_aei_8i:La-Mo-O,25.0,"Invalid WP multiplicities - A5B4C16_aP25_2_b4i_aei_10i:La-Mo-O, expected La9(MoO5)4 to be La5(MoO4)4" +mp-1211549,La3SbO7,-8.2415388686,-3.3720985474000003,0.0,-0.0557292122,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:La-O-Sb,44.0,A3B7C_oP44_62_cd_c3d_c:La-O-Sb +mp-1190600,La3SbO7,-8.2415171327,-3.3720768115,2.17359e-05,-0.0557074762,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:La-O-Sb,22.0,A3B7C_oC44_63_ag_cgh_b:La-O-Sb +mp-560684,LaMo2O5,-8.7322212958,-2.3121274357,0.2466342823,0.2466342823,GGA+U,P6_3mc,AB2C5_hP96_186_a2bc_4c_3b5c2d:La-Mo-O,96.0,"Invalid WP multiplicities - AB2C5_hP96_186_2a2b3c_19c_6b29c22d:La-Mo-O, expected La13(Mo19O75)3 to be LaMo2O5" +mp-1099259,LiMg3O4,-5.9605840612000005,-2.6485193285,0.0547124919,0.0547124919,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Li-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Li-Mg-O, expected LiMg3O7 to be LiMg3O4" +mp-1099251,Mg3GaO4,-6.0154635737,-2.5635021966,0.2128057745,0.2128057745,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Ga-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Ga-Mg-O, expected Mg3GaO7 to be Mg3GaO4" +mp-1226095,LiGaO10,-4.7793290092,-0.2456701757,0.5511609573,0.5511609573,GGA,Cc,ABC10_mC96_9_2a_2a_20a:Ga-Li-O,48.0,"Invalid WP multiplicities - ABC10_mC96_9_2a_2a_32a:Ga-Li-O, expected LiGaO16 to be LiGaO10" +mp-531523,LiGa5O8,-6.3535758196,-2.3090820576,0.0048227571,-0.0079646184,GGA,Pmna,A5BC8_oP28_53_agh_d_2hi:Ga-Li-O,28.0,"Invalid WP multiplicities - A5BC8_oP28_53_2a2g3h_d_8h7i:Ga-Li-O, expected Li(Ga3O11)4 to be LiGa5O8" +mp-28146,LiGa5O8,-6.3583985768,-2.3139048147,0.0,-0.0127873755,GGA,P4_332,A5BC8_cP56_212_cd_a_ce:Ga-Li-O,56.0,"Invalid WP multiplicities - A5BC8_cP56_212_c2d_a_3c4e:Ga-Li-O, expected Li(Ga4O15)2 to be LiGa5O8" +mp-1096408,Li2MgGa,-0.9699915975,1.141563854,1.3787774525,1.3724230802,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Li-Mg,4.0,AB2C_oI8_71_a_e_b:Ga-Li-Mg +mp-1222647,Li2MgGa,-2.34876905,-0.2372135985,0.0,-0.0063543723,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Ga-Li-Mg +mp-1093564,LiMgGa2,-1.169812775,1.2215359654,1.4533036663,1.4533036663,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Li-Mg,4.0,A2BC_oI8_71_e_a_b:Ga-Li-Mg +mp-4657,Li5GaO4,-5.452947083,-2.2170005629,0.0,-0.0279829863,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Ga-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_8c_7c:Ga-Li-O, expected Li8GaO7 to be Li5GaO4" +mp-774753,Li5GaO4,-5.419401761,-2.1834552409,0.033545322,0.0055623357,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Ga-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Ga-Li-O, expected Li17GaO13 to be Li5GaO4" +mp-37207,Li5GaO4,-5.2805954135,-2.0446488934,0.1723516695,0.1443686832,GGA,P4_22_12,AB5C4_tP20_94_a_bde_g:Ga-Li-O,20.0,"Invalid WP multiplicities - AB5C4_tP20_94_a_2b3d2e_g:Ga-Li-O, expected Li12GaO4 to be Li5GaO4" +mp-5854,LiGaO2,-6.0871100019,-2.379510924,0.0,-0.1059828808,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ga-Li-O,16.0,ABC2_oP16_33_a_a_2a:Ga-Li-O +mp-1222306,LiGaO2,-5.8541467775000005,-2.1465476996,0.2329632244,0.1269803435,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ga-Li-O,4.0,ABC2_tP4_123_a_d_bc:Ga-Li-O +mp-8002,LiGaO2,-6.02093819,-2.3133391121,0.0661718119,-0.039811069,GGA,R-3m,ABC2_hR12_166_a_b_c:Ga-Li-O,4.0,ABC2_hR12_166_a_b_c:Ga-Li-O +mp-1040051,LiMg30GaO32,-6.3053798336,-3.0047632844,0.007118929,0.007118929,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ga-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ga-Li-Mg-O, expected LiMg90GaO80 to be LiMg30GaO32" +mp-1040052,LiMg30GaO32,-6.3020240944,-3.0014075452,0.0104746682,0.0104746682,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ga-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ga-Li-Mg-O, expected LiMg110GaO72 to be LiMg30GaO32" +mp-1035108,LiMg14GaO16,-6.2790062531,-2.9512575353,0.0184665921,0.0184665921,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ga-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ga-Li-Mg-O, expected LiMg18GaO20 to be LiMg14GaO16" +mp-1035113,LiMg14GaO16,-6.2697951203,-2.9420464025,0.0276777249,0.0276777249,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ga-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ga-Li-Mg-O, expected LiMg30GaO32 to be LiMg14GaO16" +mp-558082,Li5GaO2,-4.1479603091,-1.3396993368,0.2856214816,0.2856214816,GGA,P4_122,AB5C2_tP32_91_a_a2bd_d:Ga-Li-O,32.0,"Invalid WP multiplicities - AB5C2_tP32_91_a_4a8b7d_d:Ga-Li-O, expected Li26GaO2 to be Li5GaO2" +mp-1031114,LiMg6GaO8,-6.2143717325,-2.8323586776000003,0.053049278,0.053049278,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ga-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ga-Li-Mg-O, expected LiMg6GaO12 to be LiMg6GaO8" +mp-1031142,LiMg6GaO8,-6.2183171262,-2.8363040713,0.0491038842,0.0491038842,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ga-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ga-Li-Mg-O, expected LiMg6GaO12 to be LiMg6GaO8" +mp-1026787,LiMg14Ga,-1.74107732,-0.0322685957,0.0328436871,0.0328436871,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ga-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ga-Li-Mg, expected LiMg18Ga to be LiMg14Ga" +mp-1026776,LiMg14Ga,-1.7356967719,-0.0268880476,0.0382242352,0.0382242352,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ga-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ga-Li-Mg, expected LiMg26Ga to be LiMg14Ga" +mp-30648,LiMg2Ga,-2.2101426025,-0.1757478552,0.0046594696,0.0046594696,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Mg +mp-1021278,LiMg6Ga,-1.8692404194,-0.0519030207,0.0516409427,0.0516409427,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ga-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ga-Li-Mg, expected LiMg12Ga to be LiMg6Ga" +mp-1099313,LiMg6Ga,-1.882960605,-0.0656232064,0.0379207571,0.0379207571,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ga-Li-Mg,8.0,ABC6_oC16_38_a_b_abde:Ga-Li-Mg +mp-35712,Mg(GaO2)2,-6.4545972355,-2.534136244,0.003970401,-0.0402961262,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Ga-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a11b:Ga-Mg-O, expected Mg3Ga9O17 to be Mg(GaO2)2" +mp-530121,Mg(GaO2)2,-6.4528500405,-2.532389049,0.005717596,-0.0385489312,GGA,Cm,A2BC4_mC168_8_12a6b_12a_24a12b:Ga-Mg-O,84.0,"Invalid WP multiplicities - A2BC4_mC168_8_12a8b_12a_24a24b:Ga-Mg-O, expected Mg3Ga7O18 to be Mg(GaO2)2" +mp-530303,Mg(GaO2)2,-6.4501781143,-2.5297171229,0.0083895221,-0.035877005,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Ga-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a4b_8a_16a16b:Ga-Mg-O, expected Mg(GaO3)2 to be Mg(GaO2)2" +mp-38951,Mg(GaO2)2,-6.4585676364,-2.538106645,0.0,-0.0442665271,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Ga-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2hi:Ga-Mg-O, expected Mg(GaO3)2 to be Mg(GaO2)2" +mp-753846,Mg(GaO2)2,-6.4368261157,-2.5163651243,0.0217415207,-0.0225250064,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Ga-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Ga-Mg-O +mp-4590,Mg(GaO2)2,-6.4514738336,-2.5310128421,0.0070938029,-0.0371727243,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ga-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Ga-Mg-O +mp-1185356,LiMgO3,-4.987464342,-1.3176105319,0.5801049234,0.5801049234,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Li-Mg-O,5.0,ABC3_cP5_221_a_b_c:Li-Mg-O +mp-4983,Nd7Al7Co6,-5.4936825982,-0.3813841179,0.0247622035,0.0247622035,GGA,P4/mbm,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Nd,40.0,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Nd +mp-1045423,Al(CoS2)2,-5.6851880914,-0.7554722504,0.1952453494,0.1952453494,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Al-Co-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Al-Co-S, expected Al(Co2S7)2 to be Al(CoS2)2" +mp-1045348,Al(CoS2)2,-5.776092205,-0.8463763639,0.1043412359,0.1043412359,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Co-S,14.0,AB2C4_cF56_227_a_d_e:Al-Co-S +mp-569832,Nd(Al4Co)2,-4.9170782118,-0.467133697,0.0,-0.0131390116,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Co-Nd,44.0,"Invalid WP multiplicities - A8B2C_oP44_55_2a2d7g17h_4g_g:Al-Co-Nd, expected Nd(Al13Co2)2 to be Nd(Al4Co)2" +mp-1190730,Nd3AlCoS7,-6.3530866242,-1.8436295416,0.0519834045,0.0519834045,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Nd-S +mp-1220149,NdAlCo4,-6.3462191483,-0.1883867412,0.0545010763,0.0545010763,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-Nd,6.0,AB4C_hP6_187_a_ck_e:Al-Co-Nd +mp-1220699,Nd9Al5S21,-6.2753102883,-2.0322630527,0.0,-0.0292739573,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Nd-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Nd-S, expected Nd24Al5S51 to be Nd9Al5S21" +mp-1211125,Nd4CoS7,-6.487919595,-1.8932482122,0.1942009546,0.1942009546,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Co-Nd-S,24.0,AB4C7_hP24_173_a_bc_b2c:Co-Nd-S +mp-640880,Nd2(Al3Co)3,-5.1307035332,-0.5184584818,0.0085931746,0.0085931746,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Nd,28.0,"Invalid WP multiplicities - A9B3C2_oC56_63_2cf3g4h_a2e_g:Al-Co-Nd, expected Nd2Al26Co5 to be Nd2(Al3Co)3" +mp-12896,NdAl4Co,-4.9894422692,-0.5129808446,0.0,-0.0087423233,GGA,Pmma,A4BC_oP12_51_afj_e_e:Al-Co-Nd,12.0,A4BC_oP12_51_afj_e_e:Al-Co-Nd +mp-13430,Nd2AlCo2,-5.755872882,-0.256171625,0.0283118692,0.0283118692,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Co-Nd,5.0,AB2C2_oI10_71_a_f_h:Al-Co-Nd +mp-543103,NiGe3O8,-6.5658565758,-1.6306290813,0.1531087859,0.1531087859,GGA+U,P4_332,A3BC8_cP48_212_d_a_ce:Ge-Ni-O,48.0,"Invalid WP multiplicities - A3BC8_cP48_212_d_a_8c9e:Ge-Ni-O, expected NiGe3O70 to be NiGe3O8" +mp-758593,Li7Ni13O24,-5.9581909159,-1.2485371437,0.0455033001,0.0455033001,GGA+U,C2/m,A7B13C24_mC88_12_aghi_d2i2j_4i4j:Li-Ni-O,44.0,"Invalid WP multiplicities - A7B13C24_mC88_12_a2g2h2i_c3i6j_8i15j:Li-Ni-O, expected Li13Ni31O76 to be Li7Ni13O24" +mp-1273274,LiNi3O4,-6.2351056169,-1.3555946479,0.0030797985,0.0030797985,GGA+U,C2/m,AB3C4_mC32_12_ac_bdef_gh2i:Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4_mC32_12_ad_bc2e2f_2g2h4i:Li-Ni-O, expected LiNi5O8 to be LiNi3O4" +mp-755956,LiNi3O4,-6.2259873338,-1.3464763648,0.0121980817,0.0121980817,GGA+U,Cmmm,AB3C4_oC32_65_ad_bcm_ghn:Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4_oC32_65_ad_bc2m_2g2hn:Li-Ni-O, expected LiNi5O6 to be LiNi3O4" +mp-1275948,LiNi3O4,-6.2315017194,-1.3519907504,0.006683696,0.006683696,GGA+U,Immm,AB3C4_oI32_71_ac_bdk_efl:Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4_oI32_71_ac_bdk_2e2fl:Li-Ni-O, expected Li(NiO2)3 to be LiNi3O4" +mp-756931,Li5Ni7O12,-5.9937382771,-1.4368284592,0.0151479869,0.0151479869,GGA+U,C2,A5B7C12_mC48_5_a2c_2a3bc_6c:Li-Ni-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_a4c_2a3b2c_6c:Li-Ni-O, expected Li3Ni3O4 to be Li5Ni7O12" +mp-1222991,Li(NiO2)5,-5.910049385,-0.8927685488,0.1032684634,0.1032684634,GGA+U,P-1,AB5C10_aP16_2_a_c2i_5i:Li-Ni-O,16.0,"Invalid WP multiplicities - AB5C10_aP16_2_a_c3i_10i:Li-Ni-O, expected LiNi7O20 to be Li(NiO2)5" +mp-774500,Li5NiO4,-5.3161388568,-1.8049882709,0.0316759146,0.0316759146,GGA+U,Aea2,A5BC4_oC40_41_a2b_a_2b:Li-Ni-O,40.0,A5BC4_oC40_41_a2b_a_2b:Li-Ni-O +mp-771876,Li5NiO4,-5.3371604853,-1.8260098994,0.0106542861,0.0106542861,GGA+U,Pbca,A5BC4_oP80_61_5c_c_4c:Li-Ni-O,80.0,"Invalid WP multiplicities - A5BC4_oP80_61_17c_c_13c:Li-Ni-O, expected Li17NiO13 to be Li5NiO4" +mp-778478,Li5NiO4,-5.2494980168,-1.7383474309,0.0983167546,0.0983167546,GGA+U,Pbca,A5BC4_oP80_61_5c_c_4c:Li-Ni-O,80.0,"Invalid WP multiplicities - A5BC4_oP80_61_17c_c_13c:Li-Ni-O, expected Li17NiO13 to be Li5NiO4" +mp-773516,Li3NiO3,-5.4806425814,-1.7167895223,0.0232927376,0.0232927376,GGA+U,P4_2/mnm,A3BC3_tP28_136_fi_f_gi:Li-Ni-O,28.0,A3BC3_tP28_136_fi_f_gi:Li-Ni-O +mp-758275,Li4Ni7O12,-6.0025497467,-1.3305100614,0.0337619489,0.0337619489,GGA+U,P1,A4B7C12_aP69_1_12a_21a_36a:Li-Ni-O,69.0,A4B7C12_aP69_1_12a_21a_36a:Li-Ni-O +mp-775731,Li9(NiO4)2,-5.2973728901,-1.7018945296,0.0910942774,0.0910942774,GGA+U,Pca2_1,A9B2C8_oP76_29_9a_2a_8a:Li-Ni-O,76.0,"Invalid WP multiplicities - A9B2C8_oP76_29_16a_2a_14a:Li-Ni-O, expected Li8NiO7 to be Li9(NiO4)2" +mp-1185196,Li10Ni4O9,-5.4380586504,-1.6671902249,0.1015098513,0.1015098513,GGA+U,P4_2/nmc,A10B4C9_tP46_137_dh_g_afg:Li-Ni-O,46.0,A10B4C9_tP46_137_dh_g_afg:Li-Ni-O +mp-685529,Li2(NiO2)21,-5.6109599598,-0.4884731616,0.4191261607,0.4191261607,GGA+U,P-1,A2B21C42_aP65_2_i_a10i_21i:Li-Ni-O,65.0,"Invalid WP multiplicities - A2B21C42_aP65_2_i_a18i_41i:Li-Ni-O, expected Li2Ni37O82 to be Li2(NiO2)21" +mp-758491,Li5Ni9O16,-5.9473798423,-1.2569510479,0.0729855299,0.0729855299,GGA+U,P-1,A5B9C16_aP60_2_5i_9i_16i:Li-Ni-O,60.0,"Invalid WP multiplicities - A5B9C16_aP60_2_8i_16i_31i:Li-Ni-O, expected Li8Ni16O31 to be Li5Ni9O16" +mp-769454,Li9(NiO2)10,-5.8997733156,-1.4404028842,0.0076976124,0.0076976124,GGA+U,P-1,A9B10C20_aP39_2_b4i_cd4i_10i:Li-Ni-O,39.0,"Invalid WP multiplicities - A9B10C20_aP39_2_b7i_cd7i_19i:Li-Ni-O, expected Li15(Ni8O19)2 to be Li9(NiO2)10" +mp-758676,Li4(NiO2)11,-5.9267225822,-1.0606591607,0.0608574741,0.0608574741,GGA+U,P-1,A4B11C22_aP37_2_2i_a5i_11i:Li-Ni-O,37.0,"Invalid WP multiplicities - A4B11C22_aP37_2_3i_a9i_21i:Li-Ni-O, expected Li6Ni19O42 to be Li4(NiO2)11" +mp-762387,Li2(NiO2)5,-5.9193102288,-1.0848739791,0.0628867598,0.0628867598,GGA+U,P-1,A2B5C10_aP17_2_i_a2i_5i:Li-Ni-O,17.0,"Invalid WP multiplicities - A2B5C10_aP17_2_i_a3i_9i:Li-Ni-O, expected Li2Ni7O18 to be Li2(NiO2)5" +mp-1045572,Li(NiO2)4,-5.9202929654,-0.950833021,0.0848855812,0.0848855812,GGA+U,C2/m,AB4C8_mC26_12_a_hi_2ij:Li-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_h2i_3i2j:Li-Ni-O, expected Li(Ni3O7)2 to be Li(NiO2)4" +mp-774600,Li4(NiO2)7,-5.9256695272,-1.2316579198,0.0305034032,0.0305034032,GGA+U,P-1,A4B7C14_aP25_2_2i_a3i_7i:Li-Ni-O,25.0,"Invalid WP multiplicities - A4B7C14_aP25_2_2i_a4i_12i:Li-Ni-O, expected Li4(Ni3O8)3 to be Li4(NiO2)7" +mp-694965,Li3(NiO2)8,-5.9245870204,-1.0684803011,0.0612983664,0.0612983664,GGA+U,P-1,A3B8C16_aP27_2_ai_4i_8i:Li-Ni-O,27.0,"Invalid WP multiplicities - A3B8C16_aP27_2_ai_7i_15i:Li-Ni-O, expected Li3(Ni7O15)2 to be Li3(NiO2)8" +mp-28548,Li8GeO6,-5.5082123307,-2.2032427936,0.000637561,0.000637561,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Ge-Li-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_b3c_a2b2c:Ge-Li-O, expected Li11GeO11 to be Li8GeO6" +mp-1222821,Li(NiO2)3,-5.936089605,-1.0431430876,0.0560660587,0.0560660587,GGA+U,C2/m,AB3C6_mC20_12_c_bg_ij:Li-Ni-O,20.0,"Invalid WP multiplicities - AB3C6_mC20_12_c_2a2g_ij:Li-Ni-O, expected Li(NiO)6 to be Li(NiO2)3" +mp-780518,Li5(NiO2)4,-5.7527859229,-1.5034523498,0.0616675491,0.0616675491,GGA+U,Cc,A5B4C8_mC68_9_5a_4a_8a:Li-Ni-O,34.0,"Invalid WP multiplicities - A5B4C8_mC68_9_9a_7a_15a:Li-Ni-O, expected Li9Ni7O15 to be Li5(NiO2)4" +mp-891926,Li5(NiO2)4,-5.7068033594,-1.4574697863,0.1076501126,0.1076501126,GGA+U,Cmc2_1,A5B4C8_oC68_36_3ab_2ab_4a2b:Li-Ni-O,34.0,"Invalid WP multiplicities - A5B4C8_oC68_36_5a3b_3a3b_7a7b:Li-Ni-O, expected Li11(Ni3O7)3 to be Li5(NiO2)4" +mp-780142,Li5(NiO2)4,-5.7438441791,-1.494510606,0.0706092929,0.0706092929,GGA+U,P4_332,A5B4C8_cP68_212_cd_ad_ce:Li-Ni-O,68.0,"Invalid WP multiplicities - A5B4C8_cP68_212_5c4d_ad_8c9e:Li-Ni-O, expected Li11Ni2O35 to be Li5(NiO2)4" +mp-758820,Li7(NiO2)12,-5.915198407,-1.2304395861,0.0390540198,0.0390540198,GGA+U,C2,A7B12C24_mC86_5_2ab2c_6c_12c:Li-Ni-O,43.0,"Invalid WP multiplicities - A7B12C24_mC86_5_2ab4c_10c_23c:Li-Ni-O, expected Li11(Ni10O23)2 to be Li7(NiO2)12" +mp-731867,Li2Ge3O8,-6.2955739223,-1.8909247694,0.1469948971,0.1469948971,GGA,C2/c,A3B2C8_mC52_15_ef_2e_4f:Ge-Li-O,26.0,A3B2C8_mC52_15_ef_2e_4f:Ge-Li-O +mp-1185261,LiNiO3,-5.21204689,-0.7062217539,0.5024219345000001,0.5024219345000001,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Li-Ni-O,5.0,ABC3_cP5_221_a_b_c:Li-Ni-O +mp-2348641,LiNiO2,-5.8942366883,-1.498627446,0.0,-0.0040441227,GGA+U,P1,ABC2_aP12_1_3a_3a_6a:Li-Ni-O,12.0,ABC2_aP12_1_3a_3a_6a:Li-Ni-O +mp-756446,LiNiO2,-5.86375607,-1.4681468277,0.0304806183,0.0264364956,GGA+U,P-1,ABC2_aP20_2_b2i_d2i_5i:Li-Ni-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b4i_d3i_9i:Li-Ni-O, expected Li9Ni7O18 to be LiNiO2" +mp-886625,LiNiO2,-3.056168105,1.3394411373,2.8380685833,2.8340244606,GGA+U,P-1,ABC2_aP20_2_b2i_d2i_5i:Li-Ni-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b4i_d3i_9i:Li-Ni-O, expected Li9Ni7O18 to be LiNiO2" +mp-850062,LiNiO2,-5.885121477,-1.4895122347,0.0091152113,0.0050710886,GGA+U,P-1,ABC2_aP20_2_a2i_c2i_5i:Li-Ni-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_a3i_c3i_9i:Li-Ni-O, expected Li7Ni7O18 to be LiNiO2" +mp-1379435,LiNiO2,-4.703358621,-0.3077493787,1.1908780673,1.1868339446,GGA+U,P-1,ABC2_aP20_2_b2i_c2i_5i:Li-Ni-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b4i_c3i_9i:Li-Ni-O, expected Li9Ni7O18 to be LiNiO2" +mp-25587,LiNiO2,-5.85578499,-1.4601757477,0.0384516983,0.0344075756,GGA+U,Cm,ABC2_mC8_8_a_a_2a:Li-Ni-O,4.0,ABC2_mC8_8_a_a_2a:Li-Ni-O +mp-1299546,LiNiO2,-5.8542496444,-1.4586404021,0.039987044,0.0359429213,GGA+U,Cm,ABC2_mC64_8_4a2b_4a2b_8a4b:Li-Ni-O,32.0,"Invalid WP multiplicities - ABC2_mC64_8_4a3b_4a2b_8a8b:Li-Ni-O, expected Li5(NiO3)4 to be LiNiO2" +mp-752850,LiNiO2,-5.8837354644,-1.4881262221,0.010501224,0.0064571013,GGA+U,C2/m,ABC2_mC32_12_ace_bdf_2ij:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_ace_bdf_4i3j:Li-Ni-O, expected LiNiO5 to be LiNiO2" +mp-25258,LiNiO2,-5.8391417563,-1.4435325140000002,0.0550949321,0.0510508094,GGA+U,C2/m,ABC2_mC32_12_2i_adi_4i:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_ac2i_7i:Li-Ni-O, expected Li2Ni3O7 to be LiNiO2" +mp-866271,LiNiO2,-5.88599276,-1.4903835177,0.0082439283,0.0041998056,GGA+U,C2/m,ABC2_mC24_12_ag_dh_ij:Li-Ni-O,12.0,"Invalid WP multiplicities - ABC2_mC24_12_ag_ch_2ij:Li-Ni-O, expected Li3Ni3O8 to be LiNiO2" +mp-865631,LiNiO2,-5.8941228725,-1.4985136302,0.0001138158,-0.0039303069,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Li-Ni-O,8.0,ABC2_mC8_12_a_c_i:Li-Ni-O +mp-1281785,LiNiO2,-5.870613955,-1.4750047127,0.0236227333,0.0195786106,GGA+U,C2/m,ABC2_mC32_12_2i_2i_4i:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_8i:Li-Ni-O, expected Li3(NiO4)2 to be LiNiO2" +mp-1287495,LiNiO2,-5.8595676256,-1.4639583833,0.0346690627,0.03062494,GGA+U,C2/m,ABC2_mC32_12_ace_bdf_gh2i:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_ade_bcf_2g2h2i:Li-Ni-O, expected LiNiO3 to be LiNiO2" +mp-1273482,LiNiO2,-5.8568773303,-1.461268088,0.037359358,0.0333152353,GGA+U,C2/c,ABC2_mC64_15_cef_abde_4f:Li-Ni-O,32.0,"Invalid WP multiplicities - ABC2_aP32_2_ab3i_2ce2fhi_16i:Li-Ni-O, expected LiNiO4 to be LiNiO2" +mp-1176588,LiNiO2,-5.8759502337,-1.4803409915,0.0182864546,0.0142423319,GGA+U,Cmc2_1,ABC2_oC16_36_a_a_2a:Li-Ni-O,16.0,ABC2_oC16_36_a_a_2a:Li-Ni-O +mp-25316,LiNiO2,-5.6202387175,-1.2246294752,0.2739979708,0.2699538481,GGA+U,Imm2,ABC2_oI8_44_a_a_2b:Li-Ni-O,4.0,ABC2_oI8_44_a_a_2b:Li-Ni-O +mp-1273466,LiNiO2,-5.8545760206,-1.4589667783,0.0396606677,0.035616545,GGA+U,Pmna,ABC2_oP32_53_adg_bcg_ef2h:Li-Ni-O,32.0,"Invalid WP multiplicities - ABC2_oP32_53_2adg_2bcg_3e3f2h:Li-Ni-O, expected Li5Ni5O16 to be LiNiO2" +mp-755200,LiNiO2,-5.8405759237,-1.4449666815,0.0536607646,0.0496166419,GGA+U,Imma,ABC2_oI32_74_ac_bd_2ef:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_oI32_74_a2c_b2d_4e2f:Li-Ni-O, expected Li3Ni3O8 to be LiNiO2" +mp-1281748,LiNiO2,-5.87207916,-1.4764699177,0.0221575283,0.0181134056,GGA+U,Imma,ABC2_oI16_74_e_e_2e:Li-Ni-O,16.0,"Invalid WP multiplicities - ABC2_oI16_74_e_e_3e:Li-Ni-O, expected LiNiO3 to be LiNiO2" +mp-770635,LiNiO2,-5.8790509262,-1.483441684,0.0151857621,0.0111416394,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Ni-O,8.0,ABC2_tI16_141_a_b_e:Li-Ni-O +mp-25352,LiNiO2,-5.8317959125000005,-1.4361866702,0.0624407758,0.0583966531,GGA+U,P3m1,ABC2_hP4_156_a_b_ac:Li-Ni-O,,ABC2_hP4_156_a_b_ac:Li-Ni-O +mp-25411,LiNiO2,-5.881647685,-1.4860384427,0.0125890033,0.0085448806,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Li-Ni-O,4.0,ABC2_hR12_166_a_b_c:Li-Ni-O +mp-849241,LiNiO2,-5.878258684,-1.4826494417,0.0159780043,0.0119338816,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Li-Ni-O,20.0,ABC2_hR12_166_a_b_c:Li-Ni-O +mp-632864,LiNiO2,-4.9960518575,-0.6004426152,0.8981848308,0.8941407081,GGA+U,P6/mmm,ABC2_hP4_191_a_b_e:Li-Ni-O,4.0,ABC2_hP4_191_a_b_e:Li-Ni-O +mp-758772,Li8(NiO2)11,-5.9079126099,-1.330350706,0.0240900797,0.0240900797,GGA+U,P1,A8B11C22_aP82_1_16a_22a_44a:Li-Ni-O,82.0,A8B11C22_aP82_1_16a_22a_44a:Li-Ni-O +mp-705910,Li15(NiO2)14,-5.8293779805,-1.477394815,0.0410637135,0.0410637135,GGA+U,Cm,A15B14C28_mC114_8_15a_14a_28a:Li-Ni-O,57.0,A15B14C28_mC114_8_15a_14a_28a:Li-Ni-O +mp-1185303,LiGeO3,-5.94324491,-1.6688415389,0.3531626394,0.3531626394,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Li-O,5.0,ABC3_cP5_221_b_a_c:Ge-Li-O +mp-769473,Li13Ni9O22,-5.7473698511,-1.5277248731,0.0183857336,0.0183857336,GGA+U,P-1,A13B9C22_aP44_2_a6i_b4i_11i:Li-Ni-O,44.0,"Invalid WP multiplicities - A13B9C22_aP44_2_a11i_b8i_20i:Li-Ni-O, expected Li23Ni17O40 to be Li13Ni9O22" +mp-19183,Li2NiO2,-5.529838708,-1.6315667408,0.093135045,0.093135045,GGA+U,Immm,A2BC2_oI10_71_e_a_f:Li-Ni-O,5.0,A2BC2_oI10_71_e_a_f:Li-Ni-O +mp-19308,Li2NiO2,-5.620432062,-1.7221600948,0.002541691,0.002541691,GGA+U,P-3m1,A2BC2_hP5_164_d_a_d:Li-Ni-O,5.0,A2BC2_hP5_164_d_a_d:Li-Ni-O +mp-754756,Li2NiO2,-5.541992428,-1.6437204608,0.080981325,0.080981325,GGA+U,R-3m,A2BC2_hR15_166_c_a_c:Li-Ni-O,5.0,A2BC2_hR15_166_c_a_c:Li-Ni-O +mp-1043444,Ni(GeO3)2,-6.4210617056,-1.4536922992,0.2319845026,0.2319845026,GGA+U,P2_1/c,A2BC6_mP36_14_2e_e_6e:Ge-Ni-O,36.0,A2BC6_mP36_14_2e_e_6e:Ge-Ni-O +mp-1043316,Ni(GeO3)2,-6.3766616172,-1.4092922108,0.276384591,0.276384591,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:Ge-Ni-O,18.0,A2BC6_mC36_15_f_e_3f:Ge-Ni-O +mp-15949,Li(NiGe)6,-5.2672044492,-0.3189036741,0.0,-0.0051725292,GGA,P6/mmm,A6BC6_hP39_191_ehjk_ad_io:Ge-Li-Ni,39.0,A6BC6_hP39_191_ehjk_ad_io:Ge-Li-Ni +mp-1210913,Li2NiGeO4,-6.2775574788,-2.0265868396,0.0201613569,0.0201613569,GGA+U,Pnma,AB2CD4_oP32_62_c_d_c_2cd:Ge-Li-Ni-O,32.0,AB2CD4_oP32_62_c_d_c_2cd:Ge-Li-Ni-O +mp-758726,Li2(NiO2)3,-5.8997651838,-1.2780935437,0.0413928999999999,0.0413928999999999,GGA+U,P1,A2B3C6_aP66_1_12a_18a_36a:Li-Ni-O,66.0,A2B3C6_aP66_1_12a_18a_36a:Li-Ni-O +mp-758095,Li2(NiO2)3,-5.9176358995000005,-1.2959642595,0.0235221843,0.0235221843,GGA+U,P-1,A2B3C6_aP11_2_i_ai_3i:Li-Ni-O,22.0,"Invalid WP multiplicities - A2B3C6_aP11_2_i_2a2i_3i:Li-Ni-O, expected Li(NiO)3 to be Li2(NiO2)3" +mp-753296,Li2(NiO2)3,-5.894285025,-1.2726133849,0.0468730588,0.0468730588,GGA+U,Cc,A2B3C6_mC44_9_2a_3a_6a:Li-Ni-O,22.0,"Invalid WP multiplicities - A2B3C6_mC44_9_4a_4a_10a:Li-Ni-O, expected Li2Ni2O5 to be Li2(NiO2)3" +mp-758831,Li2(NiO2)3,-5.9012345532,-1.2795629131,0.0399235306,0.0399235306,GGA+U,Cc,A2B3C6_mC44_9_2a_3a_6a:Li-Ni-O,22.0,A2B3C6_mC44_9_4a_6a_12a:Li-Ni-O +mp-762391,Li2(NiO2)3,-5.9063808591,-1.284709219,0.0347772247,0.0347772247,GGA+U,C2/m,A2B3C6_mC22_12_h_ag_ij:Li-Ni-O,11.0,"Invalid WP multiplicities - A2B3C6_mC22_12_h_a2g_2ij:Li-Ni-O, expected Li2Ni5O8 to be Li2(NiO2)3" +mp-773252,Li2(NiO2)3,-5.8834184873,-1.2617468472,0.0577395966,0.0577395966,GGA+U,Aea2,A2B3C6_oC44_41_b_3a_3b:Li-Ni-O,22.0,"Invalid WP multiplicities - A2B3C6_oC44_41_b_3a_5b:Li-Ni-O, expected Li2Ni3O10 to be Li2(NiO2)3" +mp-755410,Li2(NiO2)3,-5.8639377527,-1.2422661127,0.0772203311,0.0772203311,GGA+U,Cmce,A2B3C6_oC44_64_e_ad_fg:Li-Ni-O,22.0,"Invalid WP multiplicities - A2B3C6_oC44_64_e_ad_2f2g:Li-Ni-O, expected Li2(NiO4)3 to be Li2(NiO2)3" +mp-756159,Li3Ni5O8,-6.0545959238,-1.4170358181,0.0116151281,0.0116151281,GGA+U,R-3m,A3B5C8_hR48_166_d_abe_ch:Li-Ni-O,16.0,"Invalid WP multiplicities - A3B5C8_hR48_166_d_abe_2ch:Li-Ni-O, expected Li3(NiO2)5 to be Li3Ni5O8" +mp-758143,Li3Ni5O8,-6.0549577696,-1.417397664,0.0112532823,0.0112532823,GGA+U,C2/m,A3B5C8_mC96_12_aeij_bh4ij_6i3j:Li-Ni-O,48.0,"Invalid WP multiplicities - A3B5C8_mC96_12_a2e2i3j_b2h8i3j_12i10j:Li-Ni-O, expected Li21Ni33O64 to be Li3Ni5O8" +mp-759703,Li12Ni11O28,-5.7120515198,-1.3003679552,0.066434533,0.066434533,GGA+U,P1,A12B11C28_aP51_1_12a_11a_28a:Li-Ni-O,51.0,A12B11C28_aP51_1_12a_11a_28a:Li-Ni-O +mp-766878,Li13Ni15O28,-5.932984913,-1.4682468526,0.0103873077,0.0103873077,GGA+U,P-1,A13B15C28_aP56_2_a6i_cfh6i_14i:Li-Ni-O,56.0,"Invalid WP multiplicities - A13B15C28_aP56_2_a10i_cfh9i_28i:Li-Ni-O, expected Li3Ni3O8 to be Li13Ni15O28" +mp-757347,Li13Ni15O28,-5.9338327236,-1.4690946632,0.0095394972,0.0095394972,GGA+U,P-1,A13B15C28_aP56_2_a6i_cfh6i_14i:Li-Ni-O,56.0,"Invalid WP multiplicities - A13B15C28_aP56_2_a12i_cfh11i_25i:Li-Ni-O, expected LiNiO2 to be Li13Ni15O28" +mp-752908,Li6(NiO2)5,-5.7751726857,-1.4979770804,0.0544775894,0.0544775894,GGA+U,P-1,A6B5C10_aP21_2_3i_a2i_5i:Li-Ni-O,21.0,"Invalid WP multiplicities - A6B5C10_aP21_2_6i_a4i_9i:Li-Ni-O, expected Li4(NiO2)3 to be Li6(NiO2)5" +mp-705828,Li23Ni17O40,-5.7666194919,-1.5161807676,0.021620286,0.021620286,GGA+U,P-1,A23B17C40_aP80_2_b11i_c8i_20i:Li-Ni-O,80.0,"Invalid WP multiplicities - A23B17C40_aP80_2_b21i_c15i_39i:Li-Ni-O, expected Li43Ni31O78 to be Li23Ni17O40" +mp-758747,Li6(NiO2)11,-5.9224070833,-1.2079918954,0.0380008038,0.0380008038,GGA+U,P1,A6B11C22_aP39_1_6a_11a_22a:Li-Ni-O,39.0,A6B11C22_aP39_1_6a_11a_22a:Li-Ni-O +mp-850945,Li47(NiO4)8,-5.2452269449,-1.8629912331,0.0374240411,0.0374240411,GGA+U,P1,A47B8C32_aP87_1_47a_8a_32a:Li-Ni-O,87.0,A47B8C32_aP87_1_47a_8a_32a:Li-Ni-O +mp-1020012,Li2Ge4O9,-6.633333294,-2.1779895904,0.0060548026,0.0060548026,GGA,Pca2_1,A4B2C9_oP60_29_4a_2a_9a:Ge-Li-O,60.0,A4B2C9_oP60_29_4a_2a_9a:Ge-Li-O +mp-7998,Li2Ge2O5,-6.4458244528,-2.2461194528,0.0001729904,0.0001729904,GGA,Ccc2,A2B2C5_oC36_37_d_d_c2d:Ge-Li-O,18.0,"Invalid WP multiplicities - A2B2C5_oC36_37_d_d_2c4d:Ge-Li-O, expected LiGeO5 to be Li2Ge2O5" +mp-758751,Li5(NiO2)8,-5.9131742336,-1.2603215732,0.0344557668,0.0344557668,GGA+U,P1,A5B8C16_aP58_1_10a_16a_32a:Li-Ni-O,58.0,A5B8C16_aP58_1_10a_16a_32a:Li-Ni-O +mp-756913,Li7Ni5O12,-5.7546432562,-1.5203345895,0.0218190871,0.0218190871,GGA+U,P-1,A7B5C12_aP24_2_a3i_d2i_6i:Li-Ni-O,24.0,"Invalid WP multiplicities - A7B5C12_aP24_2_a6i_d4i_10i:Li-Ni-O, expected Li13Ni9O20 to be Li7Ni5O12" +mp-756388,Li7Ni5O12,-5.7402700333,-1.5059613666,0.03619231,0.03619231,GGA+U,C2,A7B5C12_mC48_5_2ab2c_a2bc_6c:Li-Ni-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_5_2ab4c_a2bc_6c:Li-Ni-O, expected Li11Ni5O12 to be Li7Ni5O12" +mp-766574,Li7(NiO2)10,-5.9080095343,-1.3107770724,0.0280759662,0.0280759662,GGA+U,C2/m,A7B10C20_mC74_12_ag2h_i2j_2i4j:Li-Ni-O,37.0,"Invalid WP multiplicities - A7B10C20_mC74_12_ag3h_2i7j_4i15j:Li-Ni-O, expected Li9(Ni8O17)4 to be Li7(NiO2)10" +mp-755081,Li8(NiO2)5,-5.6729187396,-1.6016598941,0.0444073388,0.0444073388,GGA+U,P-1,A8B5C10_aP23_2_4i_a2i_5i:Li-Ni-O,23.0,"Invalid WP multiplicities - A8B5C10_aP23_2_6i_a4i_9i:Li-Ni-O, expected Li4(NiO2)3 to be Li8(NiO2)5" +mp-1372137,Li8(NiO2)5,-3.1983298813,0.8729289642,2.518996197,2.518996197,GGA+U,P-1,A8B5C10_aP23_2_4i_a2i_5i:Li-Ni-O,23.0,"Invalid WP multiplicities - A8B5C10_aP23_2_6i_a4i_9i:Li-Ni-O, expected Li4(NiO2)3 to be Li8(NiO2)5" +mp-768079,Li7(NiO2)11,-5.909125714,-1.2648478341,0.0367245094,0.0367245094,GGA+U,P-1,A7B11C22_aP40_2_b3i_c5i_11i:Li-Ni-O,40.0,"Invalid WP multiplicities - A7B11C22_aP40_2_b5i_c9i_21i:Li-Ni-O, expected Li11Ni19O42 to be Li7(NiO2)11" +mp-28623,Li4Ge5O12,-6.5154499317,-2.2244453947,0.0,-0.0005947273,GGA,P-1,A5B4C12_aP42_2_5i_4i_12i:Ge-Li-O,42.0,A5B4C12_aP42_2_5i_4i_12i:Ge-Li-O +mp-21650,Li2NiGe3O8,-6.6181173859,-2.1152191239,0.0,-0.0311389041,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Ge-Li-Ni-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_3c3e:Ge-Li-Ni-O, expected Li2Ni(GeO8)3 to be Li2NiGe3O8" +mp-1235106,LiNi9O13,-6.0227820278,-0.8820382786000001,0.2332467779,0.2332467779,GGA+U,P1,AB9C13_aP23_1_a_9a_13a:Li-Ni-O,23.0,AB9C13_aP23_1_a_9a_13a:Li-Ni-O +mp-1236378,LiNi9O13,-5.8418041065,-0.7010603573,0.4142246992,0.4142246992,GGA+U,P1,AB9C13_aP23_1_a_9a_13a:Li-Ni-O,23.0,AB9C13_aP23_1_a_9a_13a:Li-Ni-O +mp-1235080,LiNi9O13,-6.0874851487,-0.9467413994,0.168543657,0.168543657,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Li-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Li-Ni-O +mp-1235282,LiNi9O13,-6.0248317113,-0.8840879620000001,0.2311970944,0.2311970944,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Li-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Li-Ni-O +mp-1235587,LiNi9O13,-6.1171648322,-0.9764210829,0.1388639735,0.1388639735,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Li-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Li-Ni-O +mp-1235817,LiNi9O13,-6.0180190439,-0.8772752947,0.2380097618,0.2380097618,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Li-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Li-Ni-O +mp-754083,Li2Ni5O7,-6.1725780393,-1.3621958884,0.0164718437,0.0164718437,GGA+U,C2/m,A2B5C7_mC28_12_i_a2i_b3i:Li-Ni-O,14.0,"Invalid WP multiplicities - A2B5C7_mC28_12_i_a3i_b6i:Li-Ni-O, expected Li2Ni7O13 to be Li2Ni5O7" +mp-28016,Li4Ge9O20,-6.6503801867,-2.1601766598,0.0152978237,0.0152978237,GGA,C2,A9B4C20_mC66_5_a4c_2bc_10c:Ge-Li-O,33.0,"Invalid WP multiplicities - A9B4C20_mC66_5_a4c_2bc_11c:Ge-Li-O, expected Li4Ge9O22 to be Li4Ge9O20" +mp-1177647,Li3Ni7O12,-6.0150048856,-1.2173689813,0.0512254626,0.0512254626,GGA+U,P1,A3B7C12_aP66_1_9a_21a_36a:Li-Ni-O,66.0,A3B7C12_aP66_1_9a_21a_36a:Li-Ni-O +mp-27968,Li6Ge2O7,-5.9933791647,-2.3049515721,0.003222823,0.003222823,GGA,P2_1/c,A2B6C7_mP60_14_2e_6e_7e:Ge-Li-O,60.0,"Invalid WP multiplicities - A2B6C7_mP60_14_2e_7e_13e:Ge-Li-O, expected Li7Ge2O13 to be Li6Ge2O7" +mp-1013796,Li3Ni2(GeO4)3,-6.114294833,-1.58847533,0.2059261302,0.2059261302,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Li-Ni-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Li-Ni-O +mp-16349,LiNi2Ge,-4.8856192175,-0.3625631971,0.0,-0.057242015,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Ni,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Ni +mp-753344,LiNi6O7,-6.3688139457,-1.2819165225,0.016778067,0.016778067,GGA+U,P-1,AB6C7_aP28_2_i_ac5i_7i:Li-Ni-O,28.0,"Invalid WP multiplicities - AB6C7_aP28_2_i_ac9i_13i:Li-Ni-O, expected LiNi10O13 to be LiNi6O7" +mp-766892,Li4Ni5O9,-5.9551629381,-1.4520199787,0.0155068007,0.0155068007,GGA+U,P-1,A4B5C9_aP36_2_4i_bc4i_9i:Li-Ni-O,36.0,"Invalid WP multiplicities - A4B5C9_aP36_2_8i_bc7i_17i:Li-Ni-O, expected Li8Ni8O17 to be Li4Ni5O9" +mp-755045,Li(NiO2)2,-5.9343137779,-1.1834636248,0.033656532,0.0271568242,GGA+U,P-1,AB2C4_aP7_2_b_cd_2i:Li-Ni-O,14.0,AB2C4_aP7_2_b_cd_2i:Li-Ni-O +mp-1172967,Li(NiO2)2,-5.9615371621,-1.210687009,0.0064331477,-6.65601e-05,GGA+U,P-1,AB2C4_aP14_2_i_abce_4i:Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abce_8i:Li-Ni-O, expected Li(NiO4)2 to be Li(NiO2)2" +mp-1396571,Li(NiO2)2,-3.1486690371,1.602181116,2.8193012727,2.8128015649,GGA+U,P-1,AB2C4_aP14_2_i_abde_4i:Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abde_8i:Li-Ni-O, expected Li(NiO4)2 to be Li(NiO2)2" +mp-1045516,Li(NiO2)2,-5.9340899514,-1.1832397983,0.0338803584,0.0273806506,GGA+U,P2/m,AB2C4_mP7_10_c_bd_mn:Li-Ni-O,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_ce_2m2n:Li-Ni-O, expected Li(NiO4)2 to be Li(NiO2)2" +mp-752531,Li(NiO2)2,-5.9245927957,-1.1737426426,0.0433775141,0.0368778063,GGA+U,Imma,AB2C4_oI28_74_a_bc_hi:Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_bc_h2i:Li-Ni-O, expected Li(NiO3)2 to be Li(NiO2)2" +mp-1314210,Li(NiO2)2,-5.9679015221,-1.217051369,6.87877e-05,-0.0064309201,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_e_2a2c_3h3i:Li-Ni-O, expected Li(NiO3)4 to be Li(NiO2)2" +mp-504102,Li(NiO2)2,-5.958696515,-1.2078463619,0.0092737948,0.002774087,GGA+U,R-3,AB2C4_hR42_148_c_ad_cf:Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_hR42_148_c_a2d_2c3f:Li-Ni-O, expected Li2Ni7O22 to be Li(NiO2)2" +mp-754917,Li(NiO2)2,-5.9118894757,-1.1610393226,0.0560808341,0.0495811263,GGA+U,P6_3mc,AB2C4_hP28_186_ab_bc_ab2c:Li-Ni-O,28.0,AB2C4_hP28_186_ab_bc_ab2c:Li-Ni-O +mp-774941,Li(NiO2)2,-5.9679703098,-1.2171201567,0.0,-0.0064997078,GGA+U,P4_332,AB2C4_cP56_212_c_ad_ce:Li-Ni-O,56.0,"Invalid WP multiplicities - AB2C4_cP56_212_c_4a5d_8c9e:Li-Ni-O, expected Li2Ni19O70 to be Li(NiO2)2" +mp-25388,Li(NiO2)2,-5.9425710593000005,-1.1917209062,0.0253992505,0.0188995428,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Li-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Li-Ni-O +mp-775737,LiNi9O10,-6.432202423,-1.262350418,0.0123522287,0.0123522287,GGA+U,P-1,AB9C10_aP20_2_a_c4i_5i:Li-Ni-O,20.0,"Invalid WP multiplicities - AB9C10_aP20_2_a_c8i_8i:Li-Ni-O, expected LiNi17O16 to be LiNi9O10" +mp-757655,Li17Ni11O28,-5.7255795338,-1.5373567457,0.0172329967,0.0172329967,GGA+U,P-1,A17B11C28_aP56_2_a8i_e5i_14i:Li-Ni-O,56.0,"Invalid WP multiplicities - A17B11C28_aP56_2_a16i_e10i_27i:Li-Ni-O, expected Li11Ni7O18 to be Li17Ni11O28" +mp-766611,Li17Ni11O28,-5.689353227,-1.501130439,0.0534593035,0.0534593035,GGA+U,P-1,A17B11C28_aP56_2_bce7i_f5i_14i:Li-Ni-O,56.0,"Invalid WP multiplicities - A17B11C28_aP56_2_bce14i_f10i_26i:Li-Ni-O, expected Li31Ni21O52 to be Li17Ni11O28" +mp-758803,Li3(NiO2)5,-5.9179797411,-1.2460720126,0.0336053195,0.0336053195,GGA+U,P1,A3B5C10_aP36_1_6a_10a_20a:Li-Ni-O,36.0,A3B5C10_aP36_1_6a_10a_20a:Li-Ni-O +mp-1311345,Li3(NiO2)5,-5.9186284772,-1.2467207488,0.0329565834,0.0329565834,GGA+U,P1,A3B5C10_aP18_1_3a_5a_10a:Li-Ni-O,36.0,A3B5C10_aP18_1_3a_5a_10a:Li-Ni-O +mp-762930,Li3(NiO2)5,-5.8820469194000005,-1.210139191,0.0695381412,0.0695381412,GGA+U,P-1,A3B5C10_aP18_2_bi_e2i_5i:Li-Ni-O,18.0,"Invalid WP multiplicities - A3B5C10_aP18_2_b2i_e3i_9i:Li-Ni-O, expected Li5Ni7O18 to be Li3(NiO2)5" +mp-762165,Li3(NiO2)5,-5.9161503783,-1.2442426499,0.0354346823,0.0354346823,GGA+U,P-1,A3B5C10_aP18_2_ai_c2i_5i:Li-Ni-O,18.0,A3B5C10_aP18_2_ai_c2i_5i:Li-Ni-O +mp-38676,Li11(NiO2)12,-5.8901278996,-1.4416104365,0.015090392,0.015090392,GGA+U,C2/m,A11B12C24_mC94_12_aghij_2i2j_4i4j:Li-Ni-O,47.0,"Invalid WP multiplicities - A11B12C24_mC94_12_a2g2h2i3j_4i7j_8i15j:Li-Ni-O, expected Li25(Ni9O19)4 to be Li11(NiO2)12" +mp-1639253,LiNi2O3,-6.1201363654,-1.401925972,0.0033994743,0.0033994743,GGA+U,P-1,AB2C3_aP24_2_2i_bc3i_6i:Li-Ni-O,24.0,"Invalid WP multiplicities - AB2C3_aP24_2_2i_bc3i_9i:Li-Ni-O, expected Li2Ni4O9 to be LiNi2O3" +mp-1644676,LiNi2O3,-6.1157619225,-1.3975515291,0.0077739172,0.0077739172,GGA+U,Cc,AB2C3_mC48_9_2a_4a_6a:Li-Ni-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_9_2a_4a_12a:Li-Ni-O, expected Li(NiO3)2 to be LiNi2O3" +mp-757063,LiNi2O3,-6.1216971329,-1.4034867395,0.0018387068,0.0018387068,GGA+U,C2/c,AB2C3_mC48_15_2e_cef_3f:Li-Ni-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_4e_2a2e2f_11f:Li-Ni-O, expected Li2Ni4O11 to be LiNi2O3" +mp-762932,Li4(NiO2)5,-5.8731918937,-1.3467044211,0.0482098131,0.0482098131,GGA+U,P1,A4B5C10_aP19_1_4a_5a_10a:Li-Ni-O,19.0,A4B5C10_aP19_1_4a_5a_10a:Li-Ni-O +mp-763578,Li4(NiO2)5,-5.9093632221,-1.3828757495,0.0120384847,0.0120384847,GGA+U,P-1,A4B5C10_aP19_2_2i_a2i_5i:Li-Ni-O,19.0,"Invalid WP multiplicities - A4B5C10_aP19_2_2i_a4i_9i:Li-Ni-O, expected Li4(NiO2)9 to be Li4(NiO2)5" +mp-757913,Li4(NiO2)5,-5.8719595326,-1.34547206,0.0494421741,0.0494421741,GGA+U,P-1,A4B5C10_aP38_2_4i_bd4i_10i:Li-Ni-O,38.0,"Invalid WP multiplicities - A4B5C10_aP38_2_6i_bd4i_16i:Li-Ni-O, expected Li6Ni5O16 to be Li4(NiO2)5" +mp-758441,Li4(NiO2)5,-5.8584132305,-1.3319257579,0.0629884763,0.0629884763,GGA+U,P-1,A4B5C10_aP19_2_2i_a2i_5i:Li-Ni-O,19.0,"Invalid WP multiplicities - A4B5C10_aP19_2_3i_a3i_9i:Li-Ni-O, expected Li6Ni7O18 to be Li4(NiO2)5" +mp-768104,Li6(NiO2)13,-5.9244427869,-1.1420156639,0.048902046,0.048902046,GGA+U,P-1,A6B13C26_aP45_2_3i_a6i_13i:Li-Ni-O,45.0,"Invalid WP multiplicities - A6B13C26_aP45_2_5i_a10i_24i:Li-Ni-O, expected Li10(Ni7O16)3 to be Li6(NiO2)13" +mp-22638,Ni2GeO4,-6.8015641321,-1.662984695,0.0,-0.0760348412,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ge-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Ge-Ni-O +mp-1177872,Li2Ni5O9,-6.0040852256,-1.1766647547,0.0406555633,0.0406555633,GGA+U,P1,A2B5C9_aP32_1_4a_10a_18a:Li-Ni-O,32.0,A2B5C9_aP32_1_4a_10a_18a:Li-Ni-O +mp-1211307,Li3GeO4,-5.8507872025,-2.08371829,0.0841871625,0.0841871625,GGA,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:Ge-Li-O,16.0,AB3C4_oP16_31_a_ab_2ab:Ge-Li-O +mp-1211318,Li3GeO4,-5.8526837919,-2.0856148794,0.0822905732,0.0822905732,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:Ge-Li-O,32.0,AB3C4_oP32_62_c_cd_2cd:Ge-Li-O +mp-556550,Li2NiO3,-5.6586879983,-1.5856799072,0.0,-0.0311338223,GGA+U,C2/m,A2BC3_mC24_12_adg_h_ij:Li-Ni-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_ac2g_h_2i2j:Li-Ni-O, expected Li3NiO6 to be Li2NiO3" +mp-674420,Li2NiO3,-5.6576327021,-1.5846246109000002,0.0010552963,-0.0300785261,GGA+U,C2/c,A2BC3_mC48_15_cef_2e_3f:Li-Ni-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_2ae3f_3e_11f:Li-Ni-O, expected Li9Ni3O22 to be Li2NiO3" +mp-768091,Li4Ni7O11,-6.0753064341,-1.4157507954000002,0.0065386508,0.0065386508,GGA+U,P-1,A4B7C11_aP44_2_4i_bc6i_11i:Li-Ni-O,44.0,"Invalid WP multiplicities - A4B7C11_aP44_2_6i_bc12i_20i:Li-Ni-O, expected Li6Ni13O20 to be Li4Ni7O11" +mp-690528,Li7(NiO2)8,-5.8929441777000005,-1.4171192459,0.017942038,0.017942038,GGA+U,P-1,A7B8C16_aP31_2_a3i_4i_8i:Li-Ni-O,31.0,"Invalid WP multiplicities - A7B8C16_aP31_2_a5i_7i_15i:Li-Ni-O, expected Li11(Ni7O15)2 to be Li7(NiO2)8" +mp-15349,Li2GeO3,-6.2029137333,-2.322757113,0.0,-0.0398675856,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ge-Li-O,12.0,"Invalid WP multiplicities - AB2C3_oC24_36_a_b_2a2b:Ge-Li-O, expected Li2GeO6 to be Li2GeO3" +mp-1643730,Li6NiO4,-5.2523710618,-1.8868775414,0.021817095,0.021817095,GGA+U,P2_1/m,A6BC4_mP44_11_4e4f_2e_4e2f:Li-Ni-O,44.0,A6BC4_tP22_137_df_a_g:Li-Ni-O +mp-1570562,Li6NiO4,-5.2528496186,-1.8873560982,0.0213385382,0.0213385382,GGA+U,Cmm2,A6BC4_oC88_35_2d2e4f_abc_2d2e2f:Li-Ni-O,44.0,"Invalid WP multiplicities - A6BC4_oC88_35_2d2e14f_abc_3d3e2f:Li-Ni-O, expected Li16NiO5 to be Li6NiO4" +mp-756411,Li6NiO4,-5.2533332232,-1.8878397027,0.0208549336,0.0208549336,GGA+U,Pmmn,A6BC4_oP22_59_2ag_b_ef:Li-Ni-O,44.0,A6BC4_oP22_59_2ag_b_ef:Li-Ni-O +mp-1568601,Li6NiO4,-5.2365045623,-1.8710110418,0.0376835945,0.0376835945,GGA+U,P4_22_12,A6BC4_tP22_94_def_a_g:Li-Ni-O,22.0,"Invalid WP multiplicities - A6BC4_tP22_94_2d4e4f_a_g:Li-Ni-O, expected Li20NiO4 to be Li6NiO4" +mp-1641670,Li6NiO4,-5.2504271768,-1.8849336564,0.02376098,0.02376098,GGA+U,P4_2mc,A6BC4_tP22_105_2a2b2f_2c_2d2e:Li-Ni-O,44.0,A6BC4_tP22_137_df_a_g:Li-Ni-O +mp-764850,Li3(NiO2)4,-5.869686282,-1.308297948,0.0589594297,0.0589594297,GGA+U,P-1,A3B4C8_aP15_2_cdg_abef_4i:Li-Ni-O,15.0,"Invalid WP multiplicities - A3B4C8_aP15_2_cdg_abef_7i:Li-Ni-O, expected Li3(Ni2O7)2 to be Li3(NiO2)4" +mp-1313788,Li3(NiO2)4,-5.9150402447,-1.3536519107,0.013605467,0.013605467,GGA+U,C2,A3B4C8_mC30_5_ac_2bc_4c:Li-Ni-O,15.0,"Invalid WP multiplicities - A3B4C8_mC30_5_ac_2bc_6c:Li-Ni-O, expected Li3(NiO3)4 to be Li3(NiO2)4" +mp-755972,Li3(NiO2)4,-5.9197941807,-1.3584058467,0.008851531,0.008851531,GGA+U,C2/m,A3B4C8_mC30_12_cf_abe_2ij:Li-Ni-O,15.0,A3B4C8_mC30_12_ce_abf_2ij:Li-Ni-O +mp-754896,Li3(NiO2)4,-5.9162945713,-1.3549062373,0.0123511404,0.0123511404,GGA+U,C2/m,A3B4C8_mC30_12_bf_ace_2ij:Li-Ni-O,15.0,A3B4C8_mC30_12_ae_bcf_2ij:Li-Ni-O +mp-1045574,Li3(NiO2)4,-5.913885796,-1.352497462,0.0147599157,0.0147599157,GGA+U,C2/m,A3B4C8_mC30_12_ae_hi_2ij:Li-Ni-O,15.0,A3B4C8_mC30_12_ae_hi_2ij:Li-Ni-O +mp-758978,Li3(NiO2)4,-5.87587916,-1.314490826,0.0527665517,0.0527665517,GGA+U,C2/m,A3B4C8_mC30_12_be_acf_gh2i:Li-Ni-O,15.0,"Invalid WP multiplicities - A3B4C8_mC30_12_af_bc2e_2g2h3i:Li-Ni-O, expected Li3(Ni3O7)2 to be Li3(NiO2)4" +mp-4558,Li4GeO4,-5.8590608239,-2.2984525831,0.0,-0.0274039372,GGA,Cmcm,AB4C4_oC36_63_c_eg_fg:Ge-Li-O,18.0,"Invalid WP multiplicities - AB4C4_oC36_63_c_e2g_f2g:Ge-Li-O, expected Li6GeO6 to be Li4GeO4" +mp-759153,Li9Ni15O28,-5.9516963456,-1.2903571164,0.0351582508,0.0351582508,GGA+U,P-1,A9B15C28_aP52_2_a4i_cfh6i_14i:Li-Ni-O,52.0,"Invalid WP multiplicities - A9B15C28_aP52_2_a7i_cfh12i_27i:Li-Ni-O, expected Li5(NiO2)9 to be Li9Ni15O28" +mp-677318,LiNi4O5,-6.292343447,-1.3160521327,0.0146317138,0.0146317138,GGA+U,I4/m,AB4C5_tI20_87_a_h_bh:Li-Ni-O,10.0,"Invalid WP multiplicities - AB4C5_tI20_87_a_h_b2h:Li-Ni-O, expected LiNi4O9 to be LiNi4O5" +mp-758517,Li11Ni13O24,-5.9358887046,-1.4596291745,0.0156727716,0.0156727716,GGA+U,C2/m,A11B13C24_mC96_12_aghij_d2i2j_4i4j:Li-Ni-O,48.0,"Invalid WP multiplicities - A11B13C24_mC96_12_a2gh2i3j_c3i6j_7i9j:Li-Ni-O, expected Li23Ni31O50 to be Li11Ni13O24" +mp-757736,Li7(NiO2)9,-5.9094112176,-1.3675263062,0.0151863737,0.0151863737,GGA+U,P-1,A7B9C18_aP34_2_a3i_d4i_9i:Li-Ni-O,34.0,"Invalid WP multiplicities - A7B9C18_aP34_2_a5i_d8i_17i:Li-Ni-O, expected Li11(NiO2)17 to be Li7(NiO2)9" +mp-1202443,Li2Ge7O15,-6.7467355721,-2.1475950976,0.0010984187,-0.0055696395,GGA,Pca2_1,A7B2C15_oP96_29_7a_2a_15a:Ge-Li-O,96.0,A7B2C15_oP96_29_7a_2a_15a:Ge-Li-O +mp-5832,Li2Ge7O15,-6.7478339908,-2.1486935164,0.0,-0.0066680582,GGA,Pbcn,A7B2C15_oP96_60_c3d_ac_c7d:Ge-Li-O,96.0,A7B2C15_oP96_60_c3d_ac_c7d:Ge-Li-O +mp-768059,Li7Ni9O16,-5.9597967522,-1.4432120782,0.0204271179,0.0204271179,GGA+U,P-1,A7B9C16_aP32_2_a3i_c4i_8i:Li-Ni-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_c6i_14i:Li-Ni-O, expected Li11Ni13O28 to be Li7Ni9O16" +mp-698842,Li19Ni23O42,-5.9535334495,-1.4657524498,0.0062172821,0.0062172821,GGA+U,P-1,A19B23C42_aP84_2_a9i_d11i_21i:Li-Ni-O,84.0,"Invalid WP multiplicities - A19B23C42_aP84_2_a17i_d21i_41i:Li-Ni-O, expected Li35Ni43O82 to be Li19Ni23O42" +mp-1213623,Li3NiO6,-3.838010221,0.2806935338,1.5780395369,1.5780395369,GGA+U,Cmmm,A3BC6_oC20_65_de_a_kp:Li-Ni-O,10.0,A3BC6_oC20_65_de_a_kp:Li-Ni-O +mp-5766,CeCuS2,-6.177402385,-1.6011034953,0.0,-0.0313610484,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ce-Cu-S,16.0,ABC2_mP16_14_e_e_2e:Ce-Cu-S +mp-1226845,Ce3SiS2,-6.9706566933000005,-1.7210758219,0.0173803012,0.0173803012,GGA,Immm,A3B2C_oI12_71_ae_f_c:Ce-S-Si,6.0,A3B2C_oI12_71_ae_f_c:Ce-S-Si +mp-15895,Cu2SiS3,-5.0297985292,-0.6909517007,0.0094559058,0.0094559058,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-S-Si,12.0,A2B3C_mC24_9_2a_3a_a:Cu-S-Si +mp-1225839,Cu2SiS3,-5.013282575,-0.6744357466,0.02597186,0.02597186,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-S-Si,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_6a_a:Cu-S-Si, expected Cu4SiS6 to be Cu2SiS3" +mp-9248,Cu2SiS3,-5.028291835,-0.6894450066000001,0.0109626,0.0109626,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Cu-S-Si,12.0,"Invalid WP multiplicities - A2B3C_oC24_36_b_a2b_a:Cu-S-Si, expected Cu2SiS5 to be Cu2SiS3" +mp-1225897,Cu2SiS3,-5.0246803746,-0.6858335461,0.0145740604,0.0145740604,GGA,Fdd2,A2B3C_oF96_43_2ab_3b_b:Cu-S-Si,24.0,"Invalid WP multiplicities - A2B3C_oF96_43_3a2b_11b_b:Cu-S-Si, expected Cu7(SiS11)2 to be Cu2SiS3" +mp-561468,Cu2SiS3,-4.9044147692,-0.5655679407,0.1348396658,0.1348396658,GGA,P31m,A2B3C_hP12_157_ac_abc_b:Cu-S-Si,12.0,"Invalid WP multiplicities - A2B3C_hP12_157_a2c_a2b2c_b:Cu-S-Si, expected Cu7Si2S11 to be Cu2SiS3" +mp-680692,Ce4(SiS4)3,-6.4201942082,-1.7019989917,0.0025483447,0.0025483447,GGA,R3c,A4B12C3_hR114_161_ab_4b_b:Ce-S-Si,38.0,"Invalid WP multiplicities - A4B12C3_hR114_161_2a3b_18b_b:Ce-S-Si, expected Ce11(SiS18)3 to be Ce4(SiS4)3" +mp-13872,Cu8SiS6,-4.6420599893,-0.4395486166,0.032167812,0.032167812,GGA,Pmn2_1,A8B6C_oP30_31_2a3b_4ab_a:Cu-S-Si,30.0,A8B6C_oP30_31_2a3b_4ab_a:Cu-S-Si +mp-558375,Ce3CuSiS7,-6.4971346646,-1.8072228952,0.0,-0.0504171719,GGA,P6_3,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-S-Si,24.0,"Invalid WP multiplicities - A3BC7D_hP24_173_c_a_b7c_b:Ce-Cu-S-Si, expected Ce3CuSiS22 to be Ce3CuSiS7" +mp-558269,Ce2SiS5,-6.5690140125,-1.8222958032,0.0122343844,0.0122343844,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ce-S-Si,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_5e_19e_e:Ce-S-Si, expected Ce5SiS19 to be Ce2SiS5" +mp-1197740,Ce2SiS5,-6.3935244556,-1.6468062463000002,0.1877239413,0.1877239413,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ce-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:Ce-S-Si +mp-510418,Cu5Si2S7,-4.9910885004,-0.6838157519,0.0,-0.0279661387,GGA,Cc,A5B7C2_mC56_9_5a_7a_2a:Cu-S-Si,28.0,A5B7C2_mC56_9_5a_7a_2a:Cu-S-Si +mp-680697,Ce6Si4S17,-6.4519367741,-1.7252903005,0.0177704733,0.0177704733,GGA,P-1,A6B17C4_aP54_2_6i_17i_4i:Ce-S-Si,54.0,"Invalid WP multiplicities - A6B17C4_aP54_2_12i_33i_7i:Ce-S-Si, expected Ce12Si7S33 to be Ce6Si4S17" +mp-617298,CsUTiTe5,-5.5010289100000005,-1.0261746768,0.0,-0.0269991652,GGA,Pmma,AB5CD_oP16_51_f_ehk_a_e:Cs-Te-Ti-U,16.0,"Invalid WP multiplicities - AB5CD_oP16_51_f_e4h2k_a_e:Cs-Te-Ti-U, expected CsUTiTe13 to be CsUTiTe5" +mp-1197456,CsUTe6,-4.7432470753,-0.8624161076,0.0,-0.035683594,GGA,Pnma,AB6C_oP64_62_2c_6c3d_2c:Cs-Te-U,64.0,AB6C_oP64_62_2c_6c3d_2c:Cs-Te-U +mp-1046697,CrSiO5,-7.7631792386,-2.0757779448,0.2151729153,0.2151729153,GGA+U,Cc,AB5C_mC28_9_a_5a_a:Cr-O-Si,14.0,"Invalid WP multiplicities - AB5C_mC28_9_a_7a_a:Cr-O-Si, expected CrSiO7 to be CrSiO5" +mp-19505,SrCr10O15,-8.9486214831,-2.3170715284,0.0707612158,0.0707612158,GGA+U,Cmce,A10B15C_oC104_64_f2g_adef2g_b:Cr-O-Sr,52.0,A10B15C_oC104_64_f2g_adef2g_b:Cr-O-Sr +mp-757245,Cr5(Si2O7)2,-8.6864354091,-2.6333853471,0.10095798,0.10095798,GGA+U,P-1,A5B14C4_aP23_2_a2i_7i_2i:Cr-O-Si,23.0,"Invalid WP multiplicities - A5B14C4_aP23_2_a3i_13i_3i:Cr-O-Si, expected Cr7(Si3O13)2 to be Cr5(Si2O7)2" +mp-802343,Cr5(Si2O7)2,-6.7530504187,-0.7000003566,2.0343429704,2.0343429704,GGA+U,P-1,A5B14C4_aP23_2_a2i_7i_2i:Cr-O-Si,23.0,"Invalid WP multiplicities - A5B14C4_aP23_2_a3i_13i_3i:Cr-O-Si, expected Cr7(Si3O13)2 to be Cr5(Si2O7)2" +mp-5487,Sr3SiO5,-7.2552542006,-3.3411162065,0.0056155114,0.0056155114,GGA,P4/ncc,A5BC3_tP36_130_cg_b_cf:O-Si-Sr,36.0,A5BC3_tP36_130_cg_b_cf:O-Si-Sr +mp-979932,Sr3SiO5,-7.2402105633,-3.3260725693,0.0206591486,0.0206591486,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:O-Si-Sr,18.0,A5BC3_tI36_140_cl_b_ah:O-Si-Sr +mp-540583,SrCr2O4,-8.4949367036,-2.6688876695,0.0,-0.0985719964,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Cr-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_59_2c2e_2eg_ab:Cr-O-Sr, expected SrCr4O4 to be SrCr2O4" +mp-768078,Cr4Si4O13,-8.6621506093,-2.7278451214,0.0790268444,0.0790268444,GGA+U,P-1,A4B13C4_aP42_2_4i_13i_4i:Cr-O-Si,42.0,"Invalid WP multiplicities - A4B13C4_aP42_2_7i_25i_7i:Cr-O-Si, expected Cr7Si7O25 to be Cr4Si4O13" +mp-557093,SrCr2O7,-7.6567584056,-2.0945174684,0.0,-0.0011705167,GGA+U,P4_2/nmc,A2B7C_tP80_137_2g_cd2g2h_f:Cr-O-Sr,80.0,"Invalid WP multiplicities - A2B7C_tP80_137_11g_4c4d14g23h_f:Cr-O-Sr, expected SrCr11O64 to be SrCr2O7" +mp-1282494,SrCrO2,-7.8431010075,-2.534121421,0.0486387171,0.0486387171,GGA+U,Cmmm,AB2C_oC16_65_g_eh_j:Cr-O-Sr,16.0,AB2C_oC16_65_g_eh_j:Cr-O-Sr +mp-1218326,SrCrO2,-7.8572488437,-2.5482692573,0.0344908808,0.0344908808,GGA+U,P4/mmm,AB2C_tP4_123_b_e_c:Cr-O-Sr,8.0,AB2C_tP4_123_b_e_c:Cr-O-Sr +mp-1172462,Cr2(SiO4)3,-7.6598409968,-2.0749990224,0.388377937,0.388377937,GGA+U,Ia-3d,A2B12C3_cI136_230_a_h_d:Cr-O-Si,68.0,A2B12C3_cI136_230_a_h_d:Cr-O-Si +mp-675423,Sr3Cr2O7,-5.9039011408,-0.9871181176,1.7427279917,1.7427279917,GGA+U,C2/m,A2B7C3_mC24_12_i_aij_bi:Cr-O-Sr,12.0,"Invalid WP multiplicities - A2B7C3_mC24_12_i_ai2j_bi:Cr-O-Sr, expected Sr3Cr2O11 to be Sr3Cr2O7" +mp-29919,Sr9Cr5O18,-7.55067133,-2.784700229,0.0147627565,0.0147627565,GGA+U,Cmc2_1,A5B18C9_oC128_36_a2b_2a8b_a4b:Cr-O-Sr,64.0,"Invalid WP multiplicities - A5B18C9_oC128_36_a2b_2a11b_a4b:Cr-O-Sr, expected Sr9Cr5O24 to be Sr9Cr5O18" +mp-18313,SrSiO3,-7.8136860483,-3.4227105249,0.0198662517,-0.0457877506,GGA,P-1,A3BC_aP30_2_9i_3i_3i:O-Si-Sr,30.0,A3BC_aP30_2_9i_3i_3i:O-Si-Sr +mp-1173151,SrSiO3,-6.9305118545,-2.5395363311,0.9030404455,0.8373864432,GGA,Pc,A3BC_mP20_7_6a_2a_2a:O-Si-Sr,20.0,"Invalid WP multiplicities - A3BC_mP20_7_8a_2a_4a:O-Si-Sr, expected Sr2SiO4 to be SrSiO3" +mp-561547,SrSiO3,-7.7975248545,-3.4065493311,0.0360274455,-0.0296265568,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-Si-Sr,40.0,"Invalid WP multiplicities - A3BC_mP40_14_19e_5e_4e:O-Si-Sr, expected Sr4Si5O19 to be SrSiO3" +mp-3978,SrSiO3,-7.8335523,-3.4425767766,0.0,-0.0656540023,GGA,C2/c,A3BC_mC60_15_e4f_ef_cf:O-Si-Sr,30.0,A3BC_mC60_15_e4f_ef_af:O-Si-Sr +mp-1017439,SrSiO3,-7.50927637,-3.1183008466,0.32427593,0.2586219278,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Sr,5.0,A3BC_cP5_221_c_b_a:O-Si-Sr +mp-25238,Cr(SiO3)2,-8.3281928728,-2.7522133397,0.1093244056,0.1093244056,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Cr-O-Si,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_11f_f:Cr-O-Si, expected Cr(SiO11)2 to be Cr(SiO3)2" +mp-1042355,Cr(SiO3)2,-8.2990659647,-2.7230864317,0.1384513136,0.1384513136,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Cr-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Cr-O-Si, expected CrSi8O41 to be Cr(SiO3)2" +mp-1200664,SrCr2O10,-6.536794174,-1.1166037505,0.4945635329,0.4945635329,GGA+U,P2_1/c,A2B10C_mP52_14_2e_10e_e:Cr-O-Sr,52.0,A2B10C_mP52_14_2e_10e_e:Cr-O-Sr +mp-769855,SrCrO3,-7.8119524545,-2.5754310431,0.0702200274,0.0702200274,GGA+U,Ama2,AB3C_oC40_40_c_a3bc_ab:Cr-O-Sr,20.0,"Invalid WP multiplicities - AB3C_hP20_194_f_3g3h_a2c:Cr-O-Sr, expected Sr3Cr2O18 to be SrCrO3" +mp-761337,SrCrO3,-7.824536523,-2.5880151116,0.0576359589,0.0576359589,GGA+U,Ama2,AB3C_oC60_40_ac_3b3c_bc:Cr-O-Sr,30.0,"Invalid WP multiplicities - AB3C_oC60_40_a2c_6b6c_b2c:Cr-O-Sr, expected Sr5Cr5O18 to be SrCrO3" +mp-781082,SrCrO3,-7.8168838403,-2.5803624289,0.0652886417,0.0652886417,GGA+U,Ama2,AB3C_oC140_40_a3c_3b9c_b3c:Cr-O-Sr,70.0,AB3C_aP70_1_14a_42a_14a:Cr-O-Sr +mp-1325463,SrCrO3,-7.6835919699,-2.4470705584,0.1985805121,0.1985805121,GGA+U,Cmcm,AB3C_oC140_63_a3f_c3fg3h_c3f:Cr-O-Sr,70.0,"Invalid WP multiplicities - AB3C_oC140_40_2a8c_6b19c_2b9c:Cr-O-Sr, expected Sr10Cr9O22 to be SrCrO3" +mp-1372100,SrCrO3,-7.713121454,-2.4766000426,0.1690510279,0.1690510279,GGA+U,Cmcm,AB3C_oC60_63_af_cfgh_cf:Cr-O-Sr,30.0,"Invalid WP multiplicities - AB3C_hP30_194_a2f_4h5k_b2f:Cr-O-Sr, expected Sr5Cr5O42 to be SrCrO3" +mp-752441,SrCrO3,-7.796441788,-2.5599203766,0.0857306939,0.0857306939,GGA+U,P6_3/mmc,AB3C_hP30_194_af_hk_bf:Cr-O-Sr,30.0,"Invalid WP multiplicities - AB3C_hP30_194_a2f_4h5k_b2f:Cr-O-Sr, expected Sr5Cr5O42 to be SrCrO3" +mp-755321,SrCrO3,-7.7857400885,-2.5492186771,0.0964323934,0.0964323934,GGA+U,P6_3/mmc,AB3C_hP20_194_f_gh_ac:Cr-O-Sr,20.0,"Invalid WP multiplicities - AB3C_hP20_194_f_3g3h_a2c:Cr-O-Sr, expected Sr3Cr2O18 to be SrCrO3" +mp-20029,SrCrO3,-7.8096274,-2.5731059886,0.0725450819,0.0725450819,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Sr,5.0,AB3C_cP5_221_b_c_a:Cr-O-Sr +mp-19514,Sr2CrO4,-7.478383883,-2.7899854228,0.0,-0.0226893544,GGA+U,Pna2_1,AB4C2_oP56_33_2a_8a_4a:Cr-O-Sr,56.0,AB4C2_oP56_33_2a_8a_4a:Cr-O-Sr +mp-18854,Sr2CrO4,-7.4444474743,-2.756049014,0.0339364087,0.0112470544,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Cr-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Cr-O-Sr +mp-1143241,CrSiO4,-8.0022274783,-2.1913740875,0.4669164858,0.4669164858,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Cr-O-Si,72.0,AB4C_cI144_230_c_h_d:Cr-O-Si +mp-18510,Sr2SiO4,-7.5080273225,-3.4235902108,0.0,-0.0462380864,GGA,P2_1/c,A4BC2_mP28_14_4e_e_2e:O-Si-Sr,28.0,A4BC2_mP28_14_4e_e_2e:O-Si-Sr +mp-17825,Sr2SiO4,-7.4989186425,-3.4144815308,0.00910868,-0.0371294064,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:O-Si-Sr,28.0,A4BC2_oP28_62_2cd_c_2c:O-Si-Sr +mp-1208703,Sr4Cr3O10,-7.6529564918,-2.6421327661,0.0629500965,0.0629500965,GGA+U,I4/mmm,A3B10C4_tI34_139_ae_c2eg_2e:Cr-O-Sr,17.0,A3B10C4_tI34_139_ae_c2eg_2e:Cr-O-Sr +mp-30949,Sr3SiO,-4.5339772285,-1.4458798083,0.0,-0.0109185605,GGA,Pnma,ABC3_oP20_62_a_c_cd:O-Si-Sr,20.0,ABC3_oP20_62_a_c_cd:O-Si-Sr +mp-886160,Sr2Cr2O7,-7.6801328339,-2.4699598497,0.0690551609,0.0690551609,GGA+U,P-1,A2B7C2_aP44_2_4i_14i_4i:Cr-O-Sr,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Cr-O-Sr, expected Sr7Cr7O27 to be Sr2Cr2O7" +mp-779017,Cr(Si2O5)2,-8.319523028,-2.9314425812,0.0926929017,0.0926929017,GGA+U,P-1,AB10C4_aP30_2_i_10i_4i:Cr-O-Si,30.0,"Invalid WP multiplicities - AB10C4_aP30_2_i_19i_7i:Cr-O-Si, expected CrSi7O19 to be Cr(Si2O5)2" +mp-1142841,Cr(Si2O5)2,-8.2094750372,-2.8213945903,0.2027408925,0.2027408925,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Cr-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Cr-O-Si, expected Cr(Si2O11)2 to be Cr(Si2O5)2" +mp-560886,SrSi2O5,-7.8774382162,-3.2182415826,0.1588809362,0.1588809362,GGA,Cmce,A5B2C_oC64_64_e2fg_2f_f:O-Si-Sr,32.0,"Invalid WP multiplicities - A5B2C_oC64_64_3e6f4g_6f_f:O-Si-Sr, expected SrSi6O17 to be SrSi2O5" +mp-554541,Sr4Cr3O9,-7.7465913292,-2.7317591651,0.0412136868,0.0412136868,GGA+U,P3,A3B9C4_hP48_143_3a3b3c_9d_4d:Cr-O-Sr,48.0,"Invalid WP multiplicities - A3B9C4_hP48_143_3a3b3c_25d_9d:Cr-O-Sr, expected Sr9Cr3O25 to be Sr4Cr3O9" +mp-19508,SrCr(Si2O5)2,-8.3281286513,-3.1712098915,0.0,-0.010537521,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Cr-O-Si-Sr,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Cr-O-Si-Sr, expected SrCr(Si2O11)2 to be SrCr(Si2O5)2" +mp-603935,SrCrO4,-7.5502122233,-2.3619962619,0.0881553654,-0.0651779828,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_12e_e:Cr-O-Sr, expected SrCrO12 to be SrCrO4" +mp-510607,SrCrO4,-7.638367588799999,-2.4501516274,0.0,-0.1533333483,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Sr,24.0,AB4C_mP24_14_e_4e_e:Cr-O-Sr +mp-1179191,SrCrO4,-7.0093737475,-1.8211577861,0.6289938412,0.475660493,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Sr,24.0,AB4C_mP24_14_e_4e_e:Cr-O-Sr +mp-1179431,SrCrO4,-6.8368530221,-1.6486370607,0.8015145667,0.6481812184,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Sr,24.0,AB4C_mP24_14_e_4e_e:Cr-O-Sr +mp-18800,Cr2SiO4,-8.8676315771,-2.5078933179,0.0200019324,0.0200019324,GGA+U,Fddd,A2B4C_oF56_70_e_h_a:Cr-O-Si,14.0,A2B4C_oF56_70_e_h_a:Cr-O-Si +mp-1277121,Sr3Cr2O8,-7.5480213112,-2.6289378504,0.0042012053,0.0042012053,GGA+U,P2_1/m,A2B8C3_mP26_11_2e_4e2f_3e:Cr-O-Sr,26.0,"Invalid WP multiplicities - A2B8C3_mP26_11_2e_6e8f_4e:Cr-O-Sr, expected Sr2CrO11 to be Sr3Cr2O8" +mp-18833,Sr3Cr2O8,-7.5470695462,-2.6279860854,0.0051529703,0.0051529703,GGA+U,R-3m,A2B8C3_hR39_166_c_ch_ac:Cr-O-Sr,13.0,"Invalid WP multiplicities - A2B8C3_hR39_166_c_c2h_ac:Cr-O-Sr, expected Sr3Cr2O14 to be Sr3Cr2O8" +mp-985637,Li2Si4O7,-7.1715998288,-2.5449891495,0.2976007492,0.2976007492,GGA,I4_1cd,A2B7C4_tI104_110_b_a3b_2b:Li-O-Si,52.0,A2B7C4_tI104_110_b_a3b_2b:Li-O-Si +mp-21723,SiPbO3,-7.3922961072,-2.5966898604,0.0,-0.0102280579,GGA,P2/c,A3BC_mP60_13_af8g_3g_3g:O-Pb-Si,60.0,"Invalid WP multiplicities - A3BC_mP60_13_af11g_3g_3g:O-Pb-Si, expected SiPbO4 to be SiPbO3" +mp-978489,SiPbO3,-6.968344168,-2.1727379213,0.4239519392,0.4137238812,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Si,5.0,A3BC_cP5_221_c_a_b:O-Pb-Si +mp-28549,Li8SiO6,-5.7940036537,-2.4355481049,0.0,-0.0054702143,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Li-O-Si,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_b3c_a2b2c_a:Li-O-Si, expected Li11SiO11 to be Li8SiO6" +mp-1193913,Li4Si2O7,-6.6061892715,-2.5205624634,0.1424651871,0.1424651871,GGA,P-42_1m,A4B7C2_tP26_113_f_cef_e:Li-O-Si,26.0,A4B7C2_tP26_113_f_cef_e:Li-O-Si +mp-22170,Li4PbO4,-5.3791634883,-1.9197086681,0.0,-0.0269874902,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Li-O-Pb,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:Li-O-Pb, expected Li6PbO6 to be Li4PbO4" +mp-1236342,Li(SiO2)5,-7.6898347794,-2.7834347713,0.3628244294,0.3628244294,GGA,Pmm2,AB10C5_oP16_25_a_bcegi_aeg:Li-O-Si,16.0,"Invalid WP multiplicities - AB10C5_oP16_25_a_bc2egi_a2eg:Li-O-Si, expected LiSi7O12 to be Li(SiO2)5" +mp-1235571,Li(SiO2)5,-7.8468768875,-2.9404768794,0.2057823212,0.2057823212,GGA,P-4m2,AB10C5_tP16_115_b_gij_aj:Li-O-Si,16.0,AB10C5_tP16_115_b_gij_aj:Li-O-Si +mp-553950,Li10Si2PbO10,-6.1025685113,-2.4886816022,0.0036918968,0.0036918968,GGA,C2/m,A10B10CD2_mC92_12_4i3j_g5i2j_i_2i:Li-O-Pb-Si,46.0,"Invalid WP multiplicities - A10B10CD2_mC92_12_8i11j_2g10i7j_i_2i:Li-O-Pb-Si, expected Li30Si2PbO26 to be Li10Si2PbO10" +mp-5012,Li2SiO3,-6.8974027158,-2.8835310663,0.0,-0.0375247602,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Li-O-Si,12.0,"Invalid WP multiplicities - A2B3C_oC24_36_b_2a2b_a:Li-O-Si, expected Li2SiO6 to be Li2SiO3" +mp-685863,Li4SiO4,-6.265552548,-2.6158009544,0.059647522,0.0251082921,GGA,P1,A4B4C_aP54_1_24a_24a_6a:Li-O-Si,54.0,A4B4C_aP54_1_24a_24a_6a:Li-O-Si +mp-35822,Li4SiO4,-6.2948777306,-2.645126137,0.0303223394,-0.0042168904,GGA,P1,A4B4C_aP18_1_8a_8a_2a:Li-O-Si,18.0,A4B4C_aP18_1_8a_8a_2a:Li-O-Si +mp-11737,Li4SiO4,-6.32520007,-2.6754484765,0.0,-0.0345392299,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Li-O-Si,18.0,A4B4C_aP18_2_4i_4i_i:Li-O-Si +mp-1223129,Li4SiO4,-6.3237254051,-2.6739738116,0.0014746649,-0.033064565,GGA,P2_1,A4B4C_mP126_4_28a_28a_7a:Li-O-Si,126.0,A4B4C_mP126_4_28a_28a_7a:Li-O-Si +mp-559848,Li4SiO4,-6.3225214693,-2.6727698758,0.0026786007,-0.0318606292,GGA,P2_1/m,A4B4C_mP126_11_10e9f_14e7f_7e:Li-O-Si,126.0,"Invalid WP multiplicities - A4B4C_mP126_11_20e35f_28e27f_12e:Li-O-Si, expected Li45Si6O41 to be Li4SiO4" +mp-21767,Si2Pb3O7,-7.1340190849,-2.4160692308,0.0,-0.007208909,GGA,R-3c,A7B3C2_hR216_167_e3f_acf_f:O-Pb-Si,72.0,"Invalid WP multiplicities - A7B3C2_hR216_167_e7f_acf_f:O-Pb-Si, expected Si2(PbO5)3 to be Si2Pb3O7" +mp-4117,Li2Si2O5,-7.3946108628,-3.0166191573,0.0,-0.0034877765,GGA,Ccc2,A2B5C2_oC36_37_d_c2d_d:Li-O-Si,18.0,"Invalid WP multiplicities - A2B5C2_oC36_37_d_2c4d_d:Li-O-Si, expected LiSiO5 to be Li2Si2O5" +mp-3552,Li2Si2O5,-7.3884481247,-3.0104564192,0.0061627381,0.0026749615,GGA,Pbcn,A2B5C2_oP36_60_d_c2d_d:Li-O-Si,36.0,A2B5C2_oP36_60_d_c2d_d:Li-O-Si +mp-1235283,Li(SiO2)6,-7.9685457553,-3.0305933562,0.1348931426,0.1348931426,GGA,P1,AB12C6_aP19_1_a_12a_6a:Li-O-Si,19.0,AB12C6_aP19_1_a_12a_6a:Li-O-Si +mp-1235382,Li(SiO2)6,-7.9510085126,-3.0130561136,0.1524303853,0.1524303853,GGA,P1,AB12C6_aP19_1_a_12a_6a:Li-O-Si,19.0,AB12C6_aP19_1_a_12a_6a:Li-O-Si +mp-1235061,Li(SiO2)6,-7.8586561863,-2.9207037873,0.2447827116,0.2447827116,GGA,P-1,AB12C6_aP19_2_a_6i_3i:Li-O-Si,19.0,"Invalid WP multiplicities - AB12C6_aP19_2_a_12i_5i:Li-O-Si, expected Li(Si5O12)2 to be Li(SiO2)6" +mp-1235054,Li(SiO2)6,-7.9615535016,-3.0236011025,0.1418853963,0.1418853963,GGA,C2,AB12C6_mC38_5_a_6c_ab2c:Li-O-Si,19.0,AB12C6_mC38_5_a_6c_ab2c:Li-O-Si +mp-22450,Li2PbO3,-5.51757363,-1.7891471405,0.0,-0.0242418325,GGA,C2/c,A2B3C_mC24_15_2e_cf_e:Li-O-Pb,12.0,A2B3C_mC24_15_2e_af_e:Li-O-Pb +mp-674176,Li2PbO3,-5.2992255425,-1.570799053,0.2183480875,0.194106255,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Li-O-Pb,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e2f_5f_3e:Li-O-Pb, expected Li8Pb3O10 to be Li2PbO3" +mp-22538,Li8PbO6,-5.2198578927,-1.9755804079,0.0010535977,0.0010535977,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Pb,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_2c2f_f_a:Li-O-Pb, expected Li16PbO6 to be Li8PbO6" +mp-1185414,LiSiO3,-6.829866492,-2.3950050859,0.3210602917,0.3210602917,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Li-O-Si,5.0,AB3C_cP5_221_a_c_b:Li-O-Si +mp-1211198,Li3SiO4,-6.3937881144,-2.52643293,0.0637049479,0.0637049479,GGA,Cmcm,A3B4C_oC32_63_ce_fg_c:Li-O-Si,16.0,A3B4C_oC32_63_ce_fg_c:Li-O-Si +mp-1219427,Si4Pb2O11,-7.503479599,-2.5893535940000003,0.1340125111,0.1340125111,GGA,Pna2_1,A11B2C4_oP68_33_11a_2a_4a:O-Pb-Si,68.0,"Invalid WP multiplicities - A11B2C4_oP68_33_36a_7a_14a:O-Pb-Si, expected Si14Pb7O36 to be Si4Pb2O11" +mp-27767,Li6Si2O7,-6.5389894333,-2.7435898174,0.015091695,0.015091695,GGA,P-42_1m,A6B7C2_tP30_113_ef_cef_e:Li-O-Si,30.0,"Invalid WP multiplicities - A6B7C2_tP30_113_e2f_ce2f_e:Li-O-Si, expected Li10Si2O11 to be Li6Si2O7" +mp-1198381,Si3Pb11O17,-6.5626520652,-2.0075301313,0.0116798793,0.0116798793,GGA,P-1,A17B11C3_aP124_2_34i_22i_6i:O-Pb-Si,124.0,A17B11C3_aP124_2_34i_22i_6i:O-Pb-Si +mp-555899,Li2Si3O7,-7.6379832715,-3.077931538,0.0015408523,0.0015408523,GGA,Pbcm,A2B7C3_oP48_57_e_d3e_de:Li-O-Si,48.0,"Invalid WP multiplicities - A2B7C3_oP48_57_e_4d21e_3d4e:Li-O-Si, expected Li2Si11O46 to be Li2Si3O7" +mp-1197095,Si(PbO2)2,-6.9354504275,-2.2729694254,0.0079060052,0.0079060052,GGA,C2,A4B2C_mC112_5_2a2b14c_8c_4c:O-Pb-Si,56.0,A4B2C_mC112_5_2a2b14c_8c_4c:O-Pb-Si +mp-555786,Si(PbO2)2,-6.9367123752,-2.274231373,0.0066440575,0.0066440575,GGA,C2/c,A4B2C_mC112_15_2e7f_4f_2f:O-Pb-Si,56.0,"Invalid WP multiplicities - A4B2C_mC112_15_4e24f_11f_6f:O-Pb-Si, expected Si6Pb11O26 to be Si(PbO2)2" +mp-1208819,Sr4CuO2,-4.2003668057,-1.2360013906,0.5528706123,0.5528706123,GGA,I4_1/amd,AB2C4_tI28_141_a_c_h:Cu-O-Sr,14.0,AB2C4_tI28_141_a_c_h:Cu-O-Sr +mp-1218268,SrCuSi,-4.0489175267,-0.3109114756,0.00484942,-0.0108732964,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-Sr,3.0,ABC_hP3_187_a_c_f:Cu-Si-Sr +mp-1206169,SrCuSi,-4.0537669467,-0.3157608956,0.0,-0.0157227164,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Sr,6.0,ABC_hP6_194_c_d_a:Cu-Si-Sr +mp-766217,Sr4Cu2O7,-6.1568029142,-2.342709981,0.0,-0.0397407365,GGA,P2_1/c,A2B7C4_mP26_14_e_a3e_2e:Cu-O-Sr,26.0,"Invalid WP multiplicities - A2B7C4_mP26_14_e_a12e_7e:Cu-O-Sr, expected Sr14Cu2O25 to be Sr4Cu2O7" +mp-7877,Sr(CuSi)2,-4.470239822,-0.3225312513,0.0,-0.0578757344,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Sr +mp-766079,Sr8Cu8O17,-5.970572117,-2.0189566904,0.0262773929,0.0262773929,GGA,C2/m,A8B17C8_mC66_12_4i_a4i2j_fhj:Cu-O-Sr,33.0,"Invalid WP multiplicities - A8B17C8_mC66_12_7i_a8i6j_2e2h2j:Cu-O-Sr, expected Sr16Cu14O41 to be Sr8Cu8O17" +mp-1204686,CuSiO4,-6.5463544811,-1.6611412236,0.3203299812,0.3203299812,GGA,R-3,AB4C_hR108_148_f_4f_f:Cu-O-Si,36.0,AB4C_hR108_148_f_4f_f:Cu-O-Si +mp-11142,SrCu9Si4,-4.5057959707,-0.1998227133,0.0,-0.0469768164,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Cu-Si-Sr,28.0,"Invalid WP multiplicities - A9B4C_tI56_140_d3k2l_l_a:Cu-Si-Sr, expected SrCu21Si4 to be SrCu9Si4" +mp-13900,Sr(CuO)2,-5.619746529,-1.6634896858,0.0,-0.000301154,GGA,I4_1/amd,A2B2C_tI20_141_c_e_b:Cu-O-Sr,10.0,A2B2C_tI20_141_c_e_b:Cu-O-Sr +mp-1099761,Sr2Cu2O5,-5.9425032394,-1.9079650391,0.0362424928,0.0156289428,GGA,Ima2,A2B5C2_oI36_46_ab_b2c_c:Cu-O-Sr,18.0,A2B5C2_oI36_46_ab_b2c_c:Cu-O-Sr +mp-21129,Sr2Cu2O5,-5.9787457322,-1.9442075319,0.0,-0.0206135499,GGA,Pbam,A2B5C2_oP18_55_g_agh_h:Cu-O-Sr,18.0,A2B5C2_oP18_55_g_agh_h:Cu-O-Sr +mp-754322,Sr2CuO4,-6.0823131486,-2.1873205169,0.0,-0.0019301316,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-O-Sr,7.0,"Invalid WP multiplicities - AB4C2_tI14_139_a_2ce_e:Cu-O-Sr, expected Sr2CuO6 to be Sr2CuO4" +mp-552089,Sr2Cu3O5,-5.882266102,-1.8412610547,0.010613695,0.010613695,GGA,Cmmm,A3B5C2_oC20_65_ag_b2g_h:Cu-O-Sr,10.0,A3B5C2_oC20_65_ag_b2g_h:Cu-O-Sr +mp-5700,Sr2Cu3O5,-5.829417452,-1.7884124047,0.063462345,0.063462345,GGA,Immm,A3B5C2_oI20_71_ae_cef_e:Cu-O-Sr,10.0,A3B5C2_oI20_71_ae_cef_e:Cu-O-Sr +mp-1173436,Sr19Cu19O41,-5.9850877425,-2.0255999007,0.0110894784,0.0110894784,GGA,Cmmm,A19B41C19_oC158_65_c9h_bfg9q_a9g:Cu-O-Sr,79.0,"Invalid WP multiplicities - A19B41C19_oC158_65_c16h_bf2g26q_a17g:Cu-O-Sr, expected Sr35(Cu11O37)3 to be Sr19Cu19O41" +mp-15748,Sr2CuSi2O7,-7.392710505,-2.9797396204,0.046312875,0.046312875,GGA,P-42_1m,AB7C2D2_tP24_113_a_cef_e_e:Cu-O-Si-Sr,24.0,"Invalid WP multiplicities - AB7C2D2_tP24_113_a_c2ef_e_e:Cu-O-Si-Sr, expected Sr2CuSi2O9 to be Sr2CuSi2O7" +mp-1147680,Cu2SiO4,-6.5679449271,-1.795018325,0.1446703357,0.1446703357,GGA,I-42m,A2B4C_tI14_121_d_i_a:Cu-O-Si,7.0,A2B4C_tI14_121_d_i_a:Cu-O-Si +mp-16053,CuSiO3,-7.123297562,-2.2503793953,0.087812294,0.087812294,GGA,Pmma,AB3C_oP10_51_a_ej_f:Cu-O-Si,10.0,AB3C_oP10_51_a_ej_f:Cu-O-Si +mp-556982,CuSiO3,-7.1575246463,-2.2846064796,0.0535852097,0.0535852097,GGA,R-3,AB3C_hR90_148_f_3f_f:Cu-O-Si,30.0,"Invalid WP multiplicities - AB3C_hR90_148_f_13f_f:Cu-O-Si, expected CuSiO13 to be CuSiO3" +mp-3255,SrCu2O3,-5.804975815,-1.6836469938,0.0168204792,0.0168204792,GGA,Pmmn,A2B3C_oP12_59_e_ae_b:Cu-O-Sr,12.0,A2B3C_oP12_59_e_ae_b:Cu-O-Sr +mp-753181,SrCu2O3,-5.7947855975,-1.6734567763,0.0270106967,0.0270106967,GGA,Pmmn,A2B3C_oP12_59_e_ae_b:Cu-O-Sr,12.0,A2B3C_oP12_59_e_ae_b:Cu-O-Sr +mp-5938,SrCu2O3,-5.8049607217,-1.6836319005,0.0168355725,0.0168355725,GGA,Cmmm,A2B3C_oC12_65_g_ag_c:Cu-O-Sr,6.0,A2B3C_oC12_65_g_ag_c:Cu-O-Sr +mp-8806,Sr2Cu2O3,-5.3031869471,-1.5292631785,0.5603591871,0.5603591871,GGA,Fmmm,A2B3C2_oF28_69_g_ag_h:Cu-O-Sr,7.0,A2B3C2_oF28_69_g_ag_h:Cu-O-Sr +mp-1218830,Sr2CuO3,-5.8803279092,-2.1606179574,0.2772748025,0.2512814833,GGA,Cmcm,AB3C2_oC24_63_c_cd_2c:Cu-O-Sr,12.0,"Invalid WP multiplicities - AB3C2_oC24_63_c_cd_4c:Cu-O-Sr, expected Sr4CuO3 to be Sr2CuO3" +mp-5456,Sr2CuO3,-6.1576027117,-2.4378927599,0.0,-0.0259933192,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cu-O-Sr,6.0,AB3C2_oI12_71_a_ce_e:Cu-O-Sr +mp-1218339,SrCuO2,-5.435962975,-1.5154435885000002,0.5635420762000001,0.5495543556,GGA,Pm,AB2C_mP4_6_a_2a_a:Cu-O-Sr,4.0,AB2C_mP4_6_a_2a_a:Cu-O-Sr +mp-1237811,SrCuO2,-5.47889034,-1.5583709535,0.5206147112,0.5066269906,GGA,Pmmm,AB2C_oP4_47_a_i_d:Cu-O-Sr,4.0,AB2C_oP4_47_a_i_d:Cu-O-Sr +mp-5787,SrCuO2,-5.9995050512,-2.0789856648,0.0,-0.0139877206,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Cu-O-Sr,8.0,AB2C_oC16_63_c_2c_c:Cu-O-Sr +mp-37514,SrCuO2,-5.98488217,-2.0643627835,0.0146228812,0.0006351606,GGA,P4/mmm,AB2C_tP4_123_b_e_c:Cu-O-Sr,4.0,AB2C_tP4_123_b_e_c:Cu-O-Sr +mp-759634,Sr16Cu8O23,-6.1183440549,-2.4247400342,0.0157366443,0.0157366443,GGA,P-1,A8B23C16_aP47_2_4i_a11i_8i:Cu-O-Sr,47.0,"Invalid WP multiplicities - A8B23C16_aP47_2_8i_a22i_14i:Cu-O-Sr, expected Sr28Cu16O45 to be Sr16Cu8O23" +mp-14862,SrCu(Si2O5)2,-7.8255520627,-3.0157483529,0.0162538261,0.0162538261,GGA,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Cu-O-Si-Sr,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Cu-O-Si-Sr, expected SrCu(Si2O11)2 to be SrCu(Si2O5)2" +mp-25205,Cu5(Si2O7)2,-6.8629184248,-2.0172250584,0.1152285733,0.1152285733,GGA,P-1,A5B14C4_aP23_2_a2i_7i_2i:Cu-O-Si,23.0,"Invalid WP multiplicities - A5B14C4_aP23_2_a3i_13i_3i:Cu-O-Si, expected Cu7(Si3O13)2 to be Cu5(Si2O7)2" +mp-1200185,Cu5(Si2O7)2,-6.8797690171,-2.0340756507,0.098377981,0.098377981,GGA,Pbca,A5B14C4_oP92_61_a2c_7c_2c:Cu-O-Si,92.0,A5B14C4_oP92_61_a2c_7c_2c:Cu-O-Si +mp-1204432,Cu5(Si2O7)2,-6.8343364689,-1.9886431025,0.1438105292,0.1438105292,GGA,Pbca,A5B14C4_oP92_61_a2c_7c_2c:Cu-O-Si,92.0,A5B14C4_oP92_61_a2c_7c_2c:Cu-O-Si +mp-29049,SrCuO3,-5.8328142533000005,-1.7070610019,0.0427257768,0.0427257768,GGA,Pmmm,AB3C_oP15_47_cl_akpz_ei:Cu-O-Sr,15.0,"Invalid WP multiplicities - AB3C_oP15_47_cl_akp2z_ei:Cu-O-Sr, expected Sr3Cu3O13 to be SrCuO3" +mp-1192969,SrCuO3,-5.8297702153,-1.7040169639,0.0457698148,0.0457698148,GGA,Pmma,AB3C_oP30_51_b2f_a2e3j_ei:Cu-O-Sr,30.0,"Invalid WP multiplicities - AB3C_oP30_51_b3f_a4e5j_ei:Cu-O-Sr, expected Sr3Cu4O15 to be SrCuO3" +mp-1076711,SrCuO3,-5.867270728,-1.7415174766,0.0082693021,0.0082693021,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Sr,5.0,AB3C_cP5_221_b_c_a:Cu-O-Sr +mp-1025237,Ba2RuO4,-7.09189043,-2.3920179636,0.0006041193,0.0006041193,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-O-Ru,7.0,A2B4C_tI14_139_e_ce_a:Ba-O-Ru +mp-5773,BaRuO3,-7.3956711093,-2.1889823866,0.0,-0.0228084563,GGA,R-3m,AB3C_hR45_166_bc_dh_ac:Ba-O-Ru,15.0,AB3C_hR45_166_bc_dh_ac:Ba-O-Ru +mp-3597,BaRuO3,-7.389053777,-2.1823650542,0.0066173323,-0.016191124,GGA,P6_3/mmc,AB3C_hP20_194_ac_gh_f:Ba-O-Ru,20.0,AB3C_hP20_194_ac_gh_f:Ba-O-Ru +mp-3598,BaRuO3,-7.3716911943,-2.1650024716,0.023979915,0.0011714587,GGA,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Ba-O-Ru,30.0,AB3C_hP30_194_bf_hk_af:Ba-O-Ru +mp-1017591,BaRuO3,-7.32890174,-2.1222130172,0.0667693693,0.043960913,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Ru,5.0,AB3C_cP5_221_a_c_b:Ba-O-Ru +mp-1183283,BaAlO3,-6.997089008,-2.8961656273000003,0.1693612008,0.1693612008,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Ba-O,5.0,ABC3_cP5_221_b_a_c:Al-Ba-O +mp-560978,Ba4Al2O7,-7.0175622938,-3.187264417,0.0081508867,0.0081508867,GGA,Cmce,A2B4C7_oC208_64_2fg_de4fg_4f5g:Al-Ba-O,104.0,"Invalid WP multiplicities - A2B4C7_oC208_64_6f4g_4d3e14f6g_15f34g:Al-Ba-O, expected Ba33Al14O83 to be Ba4Al2O7" +mp-727209,BaAlO5,-6.0824507557,-1.7398801377000002,0.4562665464,0.4562665464,GGA,P-1,ABC5_aP14_2_i_i_5i:Al-Ba-O,14.0,ABC5_aP14_2_i_i_5i:Al-Ba-O +mp-725936,BaAl2O8,-6.0774031759,-1.6243453314,0.5786483958,0.5786483958,GGA,P-1,A2BC8_aP22_2_2i_i_8i:Al-Ba-O,22.0,A2BC8_aP22_2_2i_i_8i:Al-Ba-O +mp-733954,BaRuO5,-6.9203364079,-1.7879334027,0.0,-0.0637931702,GGA,R-3c,AB5C_hR126_167_bc_e2f_e:Ba-O-Ru,42.0,AB5C_hR126_167_bc_e2f_e:Ba-O-Ru +mp-1196869,Ba3Al2O6,-7.1654590897,-3.2628946581,0.0,-0.0201364598,GGA,P2_13,A2B3C6_cP264_198_4b_6a4b_12b:Al-Ba-O,264.0,A2B3C6_cP264_198_4b_6a4b_12b:Al-Ba-O +mp-559442,Ba2Ru7O18,-7.5966236656,-1.7522101669,0.0,-0.0730213831,GGA,P-1,A2B18C7_aP27_2_i_9i_a3i:Ba-O-Ru,27.0,"Invalid WP multiplicities - A2B18C7_aP27_2_i_18i_a4i:Ba-O-Ru, expected Ba2(RuO4)9 to be Ba2Ru7O18" +mp-1194541,BaAl4O7,-7.7177067115,-3.4236984416,0.0250425212,0.0250425212,GGA,Pmc2_1,A4BC7_oP48_26_4c_ab_ab6c:Al-Ba-O,48.0,A4BC7_oP48_26_4c_ab_ab6c:Al-Ba-O +mp-1019532,BaAl4O7,-7.7188451627,-3.4248368928,0.0239040699,0.0239040699,GGA,Pnma,A4BC7_oP48_62_2d_c_c3d:Al-Ba-O,48.0,"Invalid WP multiplicities - A4BC7_oP48_62_2d_c_c5d:Al-Ba-O, expected BaAl4O11 to be BaAl4O7" +mp-1019534,BaAl4O7,-7.7419166619,-3.447908392,0.0008325707,0.0008325707,GGA,Pnma,A4BC7_oP48_62_2d_c_c3d:Al-Ba-O,48.0,"Invalid WP multiplicities - A4BC7_oP48_62_2d_c_c4d:Al-Ba-O, expected BaAl4O9 to be BaAl4O7" +mp-867790,Ba5Ru2O11,-6.8434924942,-2.256978294,0.0780599864,0.0780599864,GGA,C2/c,A5B11C2_mC72_15_e2f_e5f_f:Ba-O-Ru,36.0,"Invalid WP multiplicities - A5B11C2_mC72_15_2e3f_2e17f_f:Ba-O-Ru, expected Ba4RuO18 to be Ba5Ru2O11" +mp-667379,Ba7Al64O103,-7.8317372479,-3.4486417596,0.0,-0.0113854406,GGA,P-62m,A64B7C103_hP174_189_e2h5i2l_def_ac2gh7i4l:Al-Ba-O,174.0,"Invalid WP multiplicities - A64B7C103_hP174_189_2e8h27i20l_2d2e2f_a2c5g4h39i44l:Al-Ba-O, expected Ba7Al219O399 to be Ba7Al64O103" +mp-1182191,BaAl2O6,-6.5792814356,-2.2359193392,0.4533822191,0.4533822191,GGA,C2,A2BC6_mC36_5_2c_ab_6c:Al-Ba-O,18.0,A2BC6_oF72_43_b_a_3b:Al-Ba-O +mp-1182305,BaAl2O6,-6.5786545106,-2.2352924142,0.4540091441,0.4540091441,GGA,Pna2_1,A2BC6_oP36_33_2a_a_6a:Al-Ba-O,36.0,A2BC6_oP36_33_2a_a_6a:Al-Ba-O +mp-1196014,BaAl2O6,-6.6724123122,-2.3290502158,0.3602513424,0.3602513424,GGA,Pna2_1,A2BC6_oP36_33_2a_a_6a:Al-Ba-O,36.0,A2BC6_oP36_33_2a_a_6a:Al-Ba-O +mp-725468,BaAl2O6,-6.3474812522,-2.0041191558,0.6851824024000001,0.6851824024000001,GGA,Fdd2,A2BC6_oF72_43_b_a_3b:Al-Ba-O,18.0,A2BC6_oF72_43_b_a_3b:Al-Ba-O +mp-1190359,BaAl2O6,-6.5791904522,-2.2358283558,0.4534732024,0.4534732024,GGA,Fdd2,A2BC6_oF72_43_b_a_3b:Al-Ba-O,18.0,A2BC6_oF72_43_b_a_3b:Al-Ba-O +mp-867936,BaAl2O6,-6.4622965389,-2.1189344425,0.5703671158,0.5703671158,GGA,Pbca,A2BC6_oP72_61_2c_c_6c:Al-Ba-O,72.0,A2BC6_oP72_61_2c_c_6c:Al-Ba-O +mp-1251718,BaAl2O6,-6.6759799094000005,-2.3326178131,0.3566837452,0.3566837452,GGA,Pbca,A2BC6_oP72_61_2c_c_6c:Al-Ba-O,72.0,A2BC6_oP72_61_2c_c_6c:Al-Ba-O +mp-1200068,Ba4Ru3O10,-7.2884465382,-2.2904468622,0.0006089215,-0.017861591,GGA,P2_1/c,A4B10C3_mP34_14_2e_5e_ae:Ba-O-Ru,34.0,A4B10C3_mP34_14_2e_5e_ae:Ba-O-Ru +mp-17304,Ba4Ru3O10,-7.2890554597,-2.2910557837,0.0,-0.0184705125,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Ba-O-Ru,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_2f_e3fg_af:Ba-O-Ru, expected Ba4(RuO4)3 to be Ba4Ru3O10" +mp-561944,Ba(RuO2)6,-7.7485770779,-1.5945952508,0.0177625494,0.0177625494,GGA,P4/n,AB12C6_tP76_85_2c_6g_3g:Ba-O-Ru,76.0,"Invalid WP multiplicities - AB12C6_tP76_85_3c_41g_20g:Ba-O-Ru, expected Ba3(Ru20O41)4 to be Ba(RuO2)6" +mp-28908,Ba5(RuO5)2,-7.0078415691,-2.4425141049,0.0,-0.0889945909,GGA,P6_3/mmc,A5B10C2_hP34_194_cef_ahk_f:Ba-O-Ru,34.0,A5B10C2_hP34_194_cef_ahk_f:Ba-O-Ru +mp-1193237,BaAl5O9,-7.6290941823,-3.2846240163,0.0930916635,0.0930916635,GGA,P6_3/mmc,A5BC9_hP30_194_eg_c_bfk:Al-Ba-O,30.0,A5BC9_hP30_194_eg_c_bfk:Al-Ba-O +mp-1204798,Ba3Al2O12,-6.0497312725,-1.7786523893,0.4130638551,0.4130638551,GGA,Ia-3d,A2B3C12_cI136_230_a_c_h:Al-Ba-O,68.0,A2B3C12_cI136_230_a_c_h:Al-Ba-O +mp-1228007,BaAl2O4,-7.6156190207,-3.4446359571,0.0042420004,-0.0548747387,GGA,C2,A2BC4_mC28_5_2c_c_ab3c:Al-Ba-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_5_2c_c_ab5c:Al-Ba-O, expected BaAl2O6 to be BaAl2O4" +mp-4202,BaAl2O4,-7.6198610211,-3.4488779575,0.0,-0.059116739,GGA,P6_3,A2BC4_hP56_173_2b2c_ac_b5c:Al-Ba-O,56.0,"Invalid WP multiplicities - A2BC4_hP56_173_2b2c_ac_b6c:Al-Ba-O, expected Ba4Al8O19 to be BaAl2O4" +mp-3828,BaAl2O4,-7.6162109707,-3.4452279071,0.0036500504,-0.0554666887,GGA,P6_322,A2BC4_hP14_182_f_b_cg:Al-Ba-O,14.0,A2BC4_hP14_182_f_b_cg:Al-Ba-O +mp-1199363,Ba3AlO4,-6.6067485084,-2.9455915716,0.0037182195,0.0037182195,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:Al-Ba-O,32.0,AB3C4_oP32_62_c_cd_2cd:Al-Ba-O +mp-1214930,Ba5AlRu2O11,-7.17838196,-2.636127674,0.0,-0.0186720234,GGA,Pnma,AB5C11D2_oP76_62_c_5c_5c3d_2c:Al-Ba-O-Ru,76.0,AB5C11D2_oP76_62_c_5c_5c3d_2c:Al-Ba-O-Ru +mp-679951,Ba17Al3O7,-4.3620302309,-1.4551368069,0.1056032508,0.1056032508,GGA,P4_2/ncm,A3B17C7_tP108_138_bi_e4i2j_eij:Al-Ba-O,108.0,"Invalid WP multiplicities - A3B17C7_tP108_138_2b2i_4e29i25j_4e6i7j:Al-Ba-O, expected Ba81Al3O22 to be Ba17Al3O7" +mp-1261047,AlSbO3,-7.0709838685,-2.5280552277,0.0618524035,0.0618524035,GGA,P2_1,AB3C_mP20_4_2a_6a_2a:Al-O-Sb,20.0,AB3C_mP20_4_3a_9a_3a:Al-O-Sb +mp-1371447,AlSbO3,-6.7929681745,-2.2500395337,0.3398680975,0.3398680975,GGA,Pnma,AB3C_oP20_62_c_cd_a:Al-O-Sb,20.0,AB3C_oP20_62_c_cd_a:Al-O-Sb +mp-1374707,AlSbO3,-6.726732407,-2.1838037663,0.406103865,0.406103865,GGA,P6_3cm,AB3C_hP30_185_ab_ab2c_c:Al-O-Sb,30.0,AB3C_hP30_185_ab_ab2c_c:Al-O-Sb +mp-1384267,AlSbO3,-6.330808508,-1.7878798672,0.8020277640000001,0.8020277640000001,GGA,P6_3/mmc,AB3C_hP10_194_a_bf_c:Al-O-Sb,10.0,AB3C_hP10_194_a_bf_c:Al-O-Sb +mp-1421511,AlSbO3,-5.814324374,-1.2713957333,1.318511898,1.318511898,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-Sb,5.0,AB3C_cP5_221_a_c_b:Al-O-Sb +mp-1183134,AlSbO3,-6.813236746,-2.2703081052,0.319599526,0.319599526,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Sb,5.0,AB3C_cP5_221_b_c_a:Al-O-Sb +mp-1048765,Mg(SbO3)2,-6.4792982739,-2.0861410742,0.1420005539,-0.017146485,GGA,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Mg-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_2a3b_b:Mg-O-Sb, expected Mg(SbO4)2 to be Mg(SbO3)2" +mp-3653,Mg(SbO3)2,-6.6212988278000005,-2.2281416281,0.0,-0.1591470389,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Mg-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_f2j_e:Mg-O-Sb, expected Mg(SbO5)2 to be Mg(SbO3)2" +mp-1252698,Al2Sb2O7,-6.4749157241,-1.8952816224,0.6697028077,0.6697028077,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Al-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Al-O-Sb +mp-676305,Mg4Sb2O9,-6.5148533573,-2.5695652853,0.0,-0.0110641887,GGA,P-1,A4B9C2_aP30_2_4i_9i_2i:Mg-O-Sb,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_7i_17i_3i:Mg-O-Sb, expected Mg7Sb3O17 to be Mg4Sb2O9" +mp-757911,MgAl10O16,-7.7706635652,-3.3927725381,0.0209895531,0.0209895531,GGA,R3m,A10BC16_hR81_160_4a2b_a_4a4b:Al-Mg-O,27.0,"Invalid WP multiplicities - A10BC16_hR81_160_4a5b_a_4a7b:Al-Mg-O, expected MgAl19O25 to be MgAl10O16" +mp-1214826,Al5Sb3O16,-7.1523383579,-2.5580924308,0.0867341866,0.0867341866,GGA,C2/m,A5B16C3_mC48_12_cj_2i3j_bg:Al-O-Sb,24.0,A5B16C3_mC48_12_cj_2i3j_bg:Al-O-Sb +mp-1023272,Mg6AlSb,-2.2356532544,-0.0511210831,0.1069936054,0.1069936054,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Sb, expected Mg12AlSb to be Mg6AlSb" +mp-1023281,Mg6AlSb,-2.2352790175,-0.0507468463,0.1073678423,0.1073678423,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Sb, expected Mg12AlSb to be Mg6AlSb" +mp-1047989,Mg(SbO2)4,-6.2735283885,-1.8358518731,0.1940318657,0.1940318657,GGA,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-Sb,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-Sb +mp-1046238,Mg(SbO2)4,-6.2816563062,-1.8439797908,0.185903948,0.185903948,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-Sb,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-Sb +mp-1043624,Mg(SbO2)4,-5.9782207231,-1.5405442077,0.4893395311,0.4893395311,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-O-Sb,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-O-Sb, expected Mg(Sb2O7)2 to be Mg(SbO2)4" +mp-531459,MgAl2O4,-7.4497721066,-3.3243168845,0.0507243698,0.0074397432,GGA,P1,A2BC4_aP98_1_28a_14a_56a:Al-Mg-O,98.0,A2BC4_aP98_1_28a_14a_56a:Al-Mg-O +mp-530748,MgAl2O4,-7.4733775164,-3.3479222943,0.02711896,-0.0161656666,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Al-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Al-Mg-O, expected Mg4Al11O24 to be MgAl2O4" +mp-531340,MgAl2O4,-7.4690182904,-3.3435630683,0.031478186,-0.0118064406,GGA,Cm,A2BC4_mC196_8_14a7b_14a_28a14b:Al-Mg-O,98.0,"Invalid WP multiplicities - A2BC4_mC196_8_14a11b_14a_28a26b:Al-Mg-O, expected Mg7Al18O40 to be MgAl2O4" +mp-531840,MgAl2O4,-7.4907533948,-3.3652981727,0.0097430816,-0.033541545,GGA,Cm,A2BC4_mC196_8_14a7b_14a_28a14b:Al-Mg-O,98.0,"Invalid WP multiplicities - A2BC4_mC196_8_14a14b_14a_28a28b:Al-Mg-O, expected MgAl3O6 to be MgAl2O4" +mp-530722,MgAl2O4,-7.4928078036,-3.3673525814,0.0076886729,-0.0355959538,GGA,C2/m,A2BC4_mC196_12_ac7i3j_e6i_14i7j:Al-Mg-O,98.0,"Invalid WP multiplicities - A2BC4_mC196_12_ad14i10j_2e11i_28i25j:Al-Mg-O, expected Mg13Al35O78 to be MgAl2O4" +mp-1222073,MgAl2O4,-6.8723581629,-2.7469029407,0.6281383136,0.5848536869000001,GGA,Amm2,A2BC4_oC14_38_ab_a_de:Al-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_oC14_38_ab_a_2d2e:Al-Mg-O, expected MgAl2O8 to be MgAl2O4" +mp-5857,MgAl2O4,-7.401597325,-3.2761421029,0.0988991514,0.0556145248,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Al-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Al-Mg-O +mp-556870,MgAl2O4,-7.3925875821,-3.26713236,0.1079088943,0.0646242677,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Al-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_63_f_c_a2c2f:Al-Mg-O, expected MgAl2O7 to be MgAl2O4" +mp-38307,MgAl2O4,-7.4536335879,-3.3281783657,0.0468628886,0.0035782619,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Al-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_a2e_c_3h2i:Al-Mg-O, expected MgAl3O10 to be MgAl2O4" +mp-33335,MgAl2O4,-7.4734687329,-3.3480135107,0.0270277436,-0.0162568831,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Al-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c16d:Al-Mg-O, expected MgAl4O9 to be MgAl2O4" +mp-34144,MgAl2O4,-7.4905096307,-3.3650544086,0.0099868457,-0.0332977809,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Al-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Al-Mg-O, expected Mg2Al9O18 to be MgAl2O4" +mp-530146,MgAl2O4,-7.4860862756,-3.3606310535,0.0144102008,-0.0288744258,GGA,P3m1,A2BC4_hP84_156_2a3bc6d_4a3b5c_4a4b4c12d:Al-Mg-O,84.0,"Invalid WP multiplicities - A2BC4_hP84_156_2a3bc16d_4a3b5c_4a4b4c31d:Al-Mg-O, expected Mg4Al18O35 to be MgAl2O4" +mp-33302,MgAl2O4,-7.4798812654,-3.3544260432,0.0206152111,-0.0226694156,GGA,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a6b_8a_8a22b:Al-Mg-O, expected Mg4Al11O37 to be MgAl2O4" +mp-34330,MgAl2O4,-7.4499587886,-3.3245035664,0.0505376879,0.0072530612,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Al-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Al-Mg-O +mp-530164,MgAl2O4,-7.4926401452,-3.367184923,0.0078563313,-0.0354282954,GGA,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a9b_8a_8a18b:Al-Mg-O, expected Mg8Al31O62 to be MgAl2O4" +mp-531530,MgAl2O4,-7.4840139393,-3.3585587171,0.0164825371,-0.0268020895,GGA,R3m,A2BC4_hR210_160_5a5b_10a_10a10b:Al-Mg-O,70.0,"Invalid WP multiplicities - A2BC4_hR210_160_5a12b_10a_10a28b:Al-Mg-O, expected Mg10Al41O94 to be MgAl2O4" +mp-531793,MgAl2O4,-7.467265048,-3.3418098259,0.0332314284,-0.0100531982,GGA,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a8b_8a_8a19b:Al-Mg-O, expected Mg8Al28O65 to be MgAl2O4" +mp-1222051,MgAl2O4,-7.3586238933,-3.2331686712,0.1418725831,0.0985879565,GGA,P-6,A2BC4_hP21_174_jk_acf_2j2k:Al-Mg-O,21.0,A2BC4_hP21_174_jk_acf_2j2k:Al-Mg-O +mp-3536,MgAl2O4,-7.5004964764,-3.3750412543,0.0,-0.0432846266,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Al-Mg-O +mp-532405,MgAl6O10,-7.6912814101,-3.3653624606,0.0404276937,0.0404276937,GGA,Cm,A6BC10_mC136_8_14a5b_4a_20a10b:Al-Mg-O,68.0,"Invalid WP multiplicities - A6BC10_mC136_8_14a10b_4a_20a19b:Al-Mg-O, expected Mg2Al17O29 to be MgAl6O10" +mp-530233,MgAl6O10,-7.68109283,-3.3551738804,0.0506162738,0.0506162738,GGA,Cm,A6BC10_mC136_8_14a5b_4a_20a10b:Al-Mg-O,68.0,"Invalid WP multiplicities - A6BC10_mC136_8_14a9b_4a_20a20b:Al-Mg-O, expected MgAl8O15 to be MgAl6O10" +mp-530216,MgAl6O10,-7.7010145069,-3.3750955574,0.0306945969,0.0306945969,GGA,Cm,A6BC10_mC136_8_14a5b_4a_20a10b:Al-Mg-O,68.0,"Invalid WP multiplicities - A6BC10_mC136_8_14a8b_4a_20a19b:Al-Mg-O, expected Mg2Al15O29 to be MgAl6O10" +mp-531782,MgAl6O10,-7.6765506276,-3.3506316781,0.0551584762,0.0551584762,GGA,Cm,A6BC10_mC136_8_14a5b_4a_20a10b:Al-Mg-O,68.0,"Invalid WP multiplicities - A6BC10_mC136_8_14a9b_4a_20a18b:Al-Mg-O, expected MgAl8O14 to be MgAl6O10" +mp-2226774,MgAlSbO4,-6.5571159557000005,-2.376885675,0.3962559359,0.3962559359,GGA,P2,ABC4D_mP7_3_c_a_2e_b:Al-Mg-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_mP7_3_c_b_3e_a:Al-Mg-O-Sb, expected MgAlSbO6 to be MgAlSbO4" +mp-2226391,MgAlSbO4,-6.46262848,-2.2823981993,0.4907434116,0.4907434116,GGA,Amm2,ABC4D_oC14_38_b_a_2bd_a:Al-Mg-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_oC14_38_b_a_2b2d_a:Al-Mg-O-Sb, expected MgAlSbO6 to be MgAlSbO4" +mp-676861,AlSbO4,-7.1544370817,-2.5442150958000003,0.0,-0.0941346281,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Al-O-Sb,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2hi_c:Al-O-Sb, expected AlSbO6 to be AlSbO4" +mp-1222192,Mg2AlO6,-5.9072748222,-1.8376894669,0.5018821712,0.5018821712,GGA,P-1,AB2C6_aP9_2_a_i_3i:Al-Mg-O,9.0,"Invalid WP multiplicities - AB2C6_aP9_2_a_i_6i:Al-Mg-O, expected Mg2AlO12 to be Mg2AlO6" +mp-1185708,Mg16Al12Sb,-2.5957730552,-0.0205871241,0.0418657547,0.0418657547,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Sb,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a9b5c_a:Al-Mg-Sb, expected Mg58Al48Sb to be Mg16Al12Sb" +mp-1400735,Mg2Sb3O8,-6.2264689262,-1.9833094254,0.2875118892,0.2875118892,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Sb,13.0,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Sb +mp-1042444,Mg2Sb3O8,-6.2393748208,-1.99621532,0.2746059946,0.2746059946,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Mg-O-Sb,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Mg-O-Sb, expected Mg2(SbO4)3 to be Mg2Sb3O8" +mp-1345824,Mg2Sb2O5,-6.163843375,-2.1425093599,0.2249100147,0.2249100147,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Mg-O-Sb,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Mg-O-Sb, expected MgSbO6 to be Mg2Sb2O5" +mp-530826,Mg7Al22O40,-7.5761587694,-3.3519243193,0.0382685669,0.0382685669,GGA,Cm,A22B7C40_mC138_8_12a5b_7a_20a10b:Al-Mg-O,69.0,"Invalid WP multiplicities - A22B7C40_mC138_8_12a8b_7a_20a19b:Al-Mg-O, expected Mg7Al28O58 to be Mg7Al22O40" +mp-1024039,Mg3AlO4,-6.2279889337,-2.6863425806,0.3340713181,0.3340713181,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Al-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Al-Mg-O, expected Mg3AlO7 to be Mg3AlO4" +mp-1041114,MgSb4O9,-6.0651827521,-1.5911482228,0.4671217089,0.4671217089,GGA,P4/n,AB9C4_tP28_85_c_a2g_g:Mg-O-Sb,28.0,AB9C4_tP28_85_c_a2g_g:Mg-O-Sb +mp-2232142,Mg(Sb2O5)2,-6.420129456,-1.9145846478,0.1576362085,0.1576362085,GGA,P1,AB10C4_aP15_1_a_10a_4a:Mg-O-Sb,15.0,AB10C4_aP15_1_a_10a_4a:Mg-O-Sb +mp-2232528,Mg(Sb2O5)2,-6.3582900373,-1.8527452292,0.2194756272,0.2194756272,GGA,P1,AB10C4_aP15_1_a_10a_4a:Mg-O-Sb,15.0,AB10C4_aP15_1_a_10a_4a:Mg-O-Sb +mp-2232350,Mg(Sb2O5)2,-6.365806798,-1.8602619898,0.2119588665,0.2119588665,GGA,P-1,AB10C4_aP15_2_a_5i_2i:Mg-O-Sb,15.0,"Invalid WP multiplicities - AB10C4_aP15_2_a_9i_4i:Mg-O-Sb, expected Mg(Sb4O9)2 to be Mg(Sb2O5)2" +mp-2232367,Mg(Sb2O5)2,-6.393536908,-1.8879920998,0.1842287565,0.1842287565,GGA,Amm2,AB10C4_oC30_38_a_ab4c_2c:Mg-O-Sb,15.0,"Invalid WP multiplicities - AB10C4_oC30_38_a_ab8c_3c:Mg-O-Sb, expected Mg(SbO3)6 to be Mg(Sb2O5)2" +mp-2232126,Mg(Sb2O5)2,-6.3260030313,-1.8204582232,0.2517626332,0.2517626332,GGA,Amm2,AB10C4_oC30_38_a_ab4c_2c:Mg-O-Sb,15.0,"Invalid WP multiplicities - AB10C4_oC30_38_a_ab8c_3c:Mg-O-Sb, expected Mg(SbO3)6 to be Mg(Sb2O5)2" +mp-1043869,MgSb3O7,-6.3001748166,-1.8807107485,0.2302784904,0.2302784904,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Mg-O-Sb,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Mg-O-Sb, expected MgSb5O7 to be MgSb3O7" +mp-1185757,Mg2Al2O5,-6.8435306444,-2.907402276,0.3963054328,0.3963054328,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Al-Mg-O,9.0,A2B2C5_tP9_123_h_ab_ci:Al-Mg-O +mp-39003,Mg3Al14O24,-7.6776386146,-3.3859451795,0.0145951626,0.0145951626,GGA,Cm,A14B3C24_mC82_8_8a3b_3a_12a6b:Al-Mg-O,41.0,"Invalid WP multiplicities - A14B3C24_mC82_8_8a6b_3a_12a12b:Al-Mg-O, expected Mg3Al20O36 to be Mg3Al14O24" +mp-1411280,MgSb2O5,-6.1914374794,-1.8674717186,0.335776308,0.335776308,GGA,P1,AB5C2_aP16_1_2a_10a_4a:Mg-O-Sb,16.0,AB5C2_aP16_2_i_5i_2i:Mg-O-Sb +mp-1042921,MgSb2O5,-6.1784251638,-1.854459403,0.3487886236,0.3487886236,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-Sb,16.0,AB5C2_oC32_63_c_c2f_f:Mg-O-Sb +mp-1099252,Mg3SbO4,-5.7277561837,-2.1381816544,0.5311241191,0.5311241191,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Sb,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Sb, expected Mg3SbO7 to be Mg3SbO4" +mp-1185841,MgAlO3,-6.581299996,-2.5441155932,0.4454972357,0.4454972357,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Mg-O,5.0,ABC3_cP5_221_b_a_c:Al-Mg-O +mp-1191510,MgSb2O,-4.4053235388,-0.7040807284,0.8229394212000001,0.8229394212000001,GGA,P-31m,ABC2_hP24_162_k_k_abcdk:Mg-O-Sb,24.0,"Invalid WP multiplicities - ABC2_mC48_12_2i2j_2i2j_adgh2i2j:Mg-O-Sb, expected Mg2Sb3O2 to be MgSb2O" +mp-1236878,MgSb2O,-4.4647775663,-0.7635347559,0.7634853937,0.7634853937,GGA,P-31m,ABC2_hP24_162_k_k_abcdk:Mg-O-Sb,24.0,ABC2_hP24_162_k_k_abcdk:Mg-O-Sb +mp-1352074,Mg(SbO2)2,-6.2471057169,-2.0121003776,0.1591415899,0.1122689067,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb,42.0,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb +mp-1041642,Mg(SbO2)2,-6.1286390071,-1.8936336679,0.2776082996,0.2307356164,GGA,P1,AB4C2_aP14_1_2a_8a_4a:Mg-O-Sb,14.0,AB4C2_aP14_1_2a_8a_4a:Mg-O-Sb +mp-1044623,Mg(SbO2)2,-6.2356601021,-2.0006547629,0.1705872046,0.1237145214,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb,42.0,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb +mp-1044887,Mg(SbO2)2,-6.201811259,-1.9668059198,0.2044360477,0.1575633645,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb,42.0,AB4C2_aP42_1_6a_24a_12a:Mg-O-Sb +mp-1042250,Mg(SbO2)2,-6.2021112686,-1.9671059293,0.2041360382,0.157263355,GGA,P2_1,AB4C2_mP28_4_2a_8a_4a:Mg-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_mP28_4_2a_12a_6a:Mg-O-Sb, expected Mg(SbO2)3 to be Mg(SbO2)2" +mp-1330256,Mg(SbO2)2,-6.1701511138,-1.9351457745,0.236096193,0.1892235098,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Mg-O-Sb,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Mg-O-Sb, expected Mg4Sb11O24 to be Mg(SbO2)2" +mp-1042244,Mg(SbO2)2,-6.3016934793,-2.06668814,0.1045538275,0.0576811443,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-Sb, expected MgSb3O7 to be Mg(SbO2)2" +mp-1388665,Mg(SbO2)2,-6.3009486286,-2.0659432893,0.1052986782,0.058425995,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-Sb, expected MgSb3O7 to be Mg(SbO2)2" +mp-1047570,Mg(SbO2)2,-6.0684055146,-1.8334001754,0.3378417921,0.2909691089,GGA,Pbcm,AB4C2_oP28_57_d_cde_e:Mg-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_oP28_57_d_3c3d5e_e:Mg-O-Sb, expected Mg(SbO8)2 to be Mg(SbO2)2" +mp-1340123,Mg(SbO2)2,-6.1066931032,-1.8716877639,0.2995542036,0.2526815204,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-Sb,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-Sb +mp-1047380,Mg(SbO2)2,-5.934680515,-1.6996751757,0.4715667918,0.4246941086,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Mg-O-Sb,14.0,AB4C2_oC28_63_c_acf_f:Mg-O-Sb +mp-1047763,Mg(SbO2)2,-6.0977286086,-1.8627232693,0.3085186982,0.261646015,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Mg-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Mg-O-Sb, expected Mg(SbO5)2 to be Mg(SbO2)2" +mp-27219,Mg(SbO2)2,-6.4062473068,-2.1712419675,0.0,-0.0468726832,GGA,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Mg-O-Sb,28.0,AB4C2_tP28_135_d_gh_h:Mg-O-Sb +mp-1044699,Mg(SbO2)2,-6.0555765429,-1.8205712036,0.3506707639,0.3037980807,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Sb,14.0,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Sb +mp-1046873,Mg(SbO2)2,-5.9948530921,-1.7598477529,0.4113942146,0.3645215314,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-Sb,14.0,AB4C2_cF56_227_a_e_d:Mg-O-Sb +mp-1342178,MgSbO3,-6.2943616265,-2.1804921418,0.1984464337,0.1984464337,GGA,P2_1/m,AB3C_mP20_11_2e_2e2f_ad:Mg-O-Sb,20.0,"Invalid WP multiplicities - AB3C_mP20_11_2e_4e6f_ac:Mg-O-Sb, expected MgSbO8 to be MgSbO3" +mp-1347225,MgSbO3,-6.3341886575,-2.2203191728,0.1586194027,0.1586194027,GGA,P2_1/c,AB3C_mP20_14_e_3e_ad:Mg-O-Sb,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_7e_2a2b:Mg-O-Sb, expected MgSb2O7 to be MgSbO3" +mp-530754,Mg5Al34O56,-7.6188076049,-3.2781176439,0.1299382188,0.1299382188,GGA,Cm,A34B5C56_mC190_8_20a7b_5a_28a14b:Al-Mg-O,95.0,"Invalid WP multiplicities - A34B5C56_mC190_8_20a14b_5a_28a27b:Al-Mg-O, expected Mg5Al48O82 to be Mg5Al34O56" +mp-1185669,Mg16Al12O,-2.7344306355,-0.1310485848,0.1041675052,0.1041675052,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-O,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-O, expected Mg49Al39O to be Mg16Al12O" +mp-1185684,Mg16Al12O,-2.7376164052,-0.1342343544,0.1009817355,0.1009817355,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-O,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c2g_a:Al-Mg-O, expected Mg36Al12O to be Mg16Al12O" +mp-1232396,Mg(AlSb)2,-3.50907148,-0.039184642,0.2458293548,0.2458293548,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Mg-Sb,5.0,A2BC2_hP5_164_d_a_d:Al-Mg-Sb +mp-1366744,Mg3Sb2O7,-6.2871796946,-2.3133743939,0.1803861749,0.1803861749,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Mg-O-Sb,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Mg-O-Sb, expected Mg3Sb2O9 to be Mg3Sb2O7" +mp-1222118,Mg5Al7O16,-7.2961850486,-3.2473475329,0.0436890016,0.0436890016,GGA,P2/m,A7B5C16_mP28_10_bceo_gmn_2m2n2o:Al-Mg-O,28.0,"Invalid WP multiplicities - A7B5C16_mP28_10_bcdo_hm2n_4m4n8o:Al-Mg-O, expected Mg7Al7O48 to be Mg5Al7O16" +mp-1028233,Mg14AlSb,-1.912264785,-0.0198586744,0.0728176058,0.0728176058,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Sb, expected Mg18AlSb to be Mg14AlSb" +mp-1028232,Mg14AlSb,-1.930364705,-0.0379585944,0.0547176858,0.0547176858,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Sb, expected Mg26AlSb to be Mg14AlSb" +mp-13816,Cs2NaErF6,-5.524757869,-3.6097656037,0.0,-0.0742644785,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Er-F-Na,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Er-F-Na +mp-998609,CsNaF3,-4.001478365,-2.4110054514,0.0,-0.0985664155,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cs-F-Na,20.0,AB3C_oP20_62_c_3c_c:Cs-F-Na +mp-554737,CsAu2F7,-3.8618621965,-1.779510282,0.0,-0.0169860678,GGA,C2/c,A2BC7_mC40_15_f_e_e3f:Au-Cs-F,20.0,"Invalid WP multiplicities - A2BC7_mC40_15_f_e_2e11f:Au-Cs-F, expected Cs(AuF12)2 to be CsAu2F7" +mp-1214751,Cs3ScF6,-5.5896256085000005,-3.5408706059,0.0,-0.1008278733,GGA,P4/mnc,A3B6C_tP20_128_ad_eh_b:Cs-F-Sc,20.0,A3B6C_tP20_128_ad_eh_b:Cs-F-Sc +mp-1112965,Cs3ScF6,-5.57778129,-3.5290262874,0.0118443185,-0.0889835548,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Sc,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Sc +mp-1213153,CsSc3F10,-6.9091097696,-4.1228526724,0.0,-0.0047928362,GGA,Pmma,AB10C3_oP28_51_f_aejkl_cg:Cs-F-Sc,28.0,"Invalid WP multiplicities - AB10C3_oP28_51_f_aejk2l_cg:Cs-F-Sc, expected CsSc3F14 to be CsSc3F10" +mp-1112595,Cs2ScAuF6,-5.310449123,-3.0238461576,0.1200126952,0.1200126952,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Sc,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Sc +mp-1112985,CsAuF3,-3.90132574,-1.9205814851,0.1041280913,0.1041280913,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-Cs-F,5.0,ABC3_cP5_221_b_a_c:Au-Cs-F +mp-572767,CsAuF4,-4.026323005,-2.0571229647,0.0,-0.1004337238,GGA,Immm,ABC4_oI24_71_ab_f_egn:Au-Cs-F,12.0,"Invalid WP multiplicities - ABC4_oI24_71_ab_f_2e2g3n:Au-Cs-F, expected CsAuF10 to be CsAuF4" +mp-1206693,Cs3AuF6,-4.042671449,-2.2997751569,0.071532236,0.071532236,GGA,P-1,AB3C6_aP10_2_a_bcd_3i:Au-Cs-F,10.0,AB3C6_aP10_2_a_bcd_3i:Au-Cs-F +mp-1110685,Rb2YCuCl6,-4.496768969,-2.1349723802,0.0420778735,0.0420778735,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Rb-Y +mp-540942,KDy2Cl7,-4.9991401788,-2.672767254,0.0,-0.0286280919,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:Cl-Dy-K,40.0,A7B2C_mP40_14_7e_2e_e:Cl-Dy-K +mp-1212062,K2DyCl5,-4.5500181903,-2.5412346861,0.0,-0.0049346733,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Dy-K,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Dy-K +mp-1111994,K2DyCuCl6,-4.310580855,-2.1087797186,0.0617295042,0.0617295042,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Dy-K +mp-1211897,K3DyCl6,-4.3937312965,-2.4908109324,0.0,-0.0061763353,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-Dy-K,40.0,A6BC3_mP40_14_6e_ad_3e:Cl-Dy-K +mp-1111175,K3DyCl6,-4.328750553,-2.4258301889,0.0649807435,0.0588044082,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Dy-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Dy-K +mp-1110923,K3ScBr6,-3.976036974,-2.0778533814,0.017198259,0.017198259,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Sc,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Sc +mp-1111597,K2RbScBr6,-3.944645345,-2.0594482399,0.0718964137,0.0718964137,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Sc +mp-1114120,KRb2ScBr6,-3.993429612,-2.1212189943,0.0282630425,0.0282630425,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-K-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-K-Rb-Sc +mp-540881,Cs2AgI3,-2.8593993171000003,-1.3521560175,0.0,-0.009951565,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ag-Cs-I,24.0,AB2C3_oP24_62_c_2c_3c:Ag-Cs-I +mp-607987,CsInI4,-2.7857960613,-1.1957041442,0.0,-0.0615382342,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-I-In,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Cs-I-In, expected CsInI11 to be CsInI4" +mp-998430,CsInI3,-2.8014681365,-1.1880311061,0.0178404977,0.0178404977,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Cs-I-In,20.0,"Invalid WP multiplicities - AB3C_aP20_2_2i_12i_4i:Cs-I-In, expected Cs(InI3)2 to be CsInI3" +mp-1112643,CsInI3,-2.797477308,-1.1840402776,0.0218313262,0.0218313262,GGA,Fm-3m,AB3C_cF40_225_c_e_ab:Cs-I-In,10.0,AB3C_cF40_225_c_e_ab:Cs-I-In +mp-1112969,Cs3InI6,-2.771293329,-1.3434844344,0.0782407677,0.0782407677,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-I-In,10.0,A3B6C_cF40_225_ac_e_b:Cs-I-In +mp-1113565,Cs2InAgI6,-2.74058212,-1.1190578623,0.0535981609,0.0535981609,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-In,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-In +mp-1206578,InAgI2,-2.4675271075,-0.3347839992,0.2652157496,0.2652157496,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Ag-I-In,4.0,AB2C_tP4_123_a_e_c:Ag-I-In +mp-23496,CsAg2I3,-2.7537543542,-0.923652116,0.0003595494,0.0003595494,GGA,Pnma,A2BC3_oP24_62_d_c_3c:Ag-Cs-I,24.0,A2BC3_oP24_62_d_c_3c:Ag-Cs-I +mp-1184447,EuTcO3,-9.522178676,-2.4306373002,0.0202690706,0.0202690706,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Tc,5.0,AB3C_cP5_221_a_c_b:Eu-O-Tc +mp-1210877,Li2TcO3,-6.9180917304000005,-2.0816665951,0.0,-0.1085491417,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Li-O-Tc,24.0,A2B3C_mC48_15_aef_3f_2e:Li-O-Tc +mp-1235834,LiEuTcO3,-7.991887685,-1.7641160608000002,0.6125593768,0.6125593768,GGA,P4/mmm,ABC3D_tP6_123_a_b_ce_d:Eu-Li-O-Tc,6.0,ABC3D_tP6_123_a_b_ce_d:Eu-Li-O-Tc +mp-1235563,LiEuTcO3,-8.207484575,-1.9797129508,0.3969624868,0.3969624868,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Eu-Li-O-Tc,6.0,ABC3D_hR18_160_a_a_b_a:Eu-Li-O-Tc +mp-1184397,Eu3Tc,-9.8451286825,0.4377824037,0.4377824037,0.4377824037,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Tc,4.0,A3B_tI8_139_ad_b:Eu-Tc +mp-1184446,Eu3Tc,-9.83233109,0.4505799962,0.4505799962,0.4505799962,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-Tc,4.0,A3B_cF16_225_ac_b:Eu-Tc +mp-862870,LiTcO3,-7.334157064,-1.9122314749,0.0652702086,0.0652702086,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Li-O-Tc,5.0,AB3C_cP5_221_a_c_b:Li-O-Tc +mp-1111646,K2NaEuCl6,-4.721379735,-2.2322252403,0.055091722,0.055091722,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Eu-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Eu-K-Na +mp-1111492,K3EuCl6,-4.695378691,-2.2274368309,0.089603664,0.089603664,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Eu-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Eu-K +mp-1211760,KEu2Cl7,-5.7817861562,-2.3253702395,0.0,-0.0032149203,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:Cl-Eu-K,40.0,A7B2C_mP40_14_7e_2e_e:Cl-Eu-K +mp-1212510,K2EuCl5,-5.0468024325,-2.3317420582,0.0,-0.031547818,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Eu-K,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Eu-K +mp-1211620,KEu2Cl5,-6.5283313288,-2.6699455979,0.0,-0.0212016875,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-Eu-K,32.0,A5B2C_mP32_14_5e_2e_e:Cl-Eu-K +mp-1111502,K3AlCl6,-3.943508737,-2.1267094739,0.0145562885,0.0145562885,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Cl-K,10.0,AB6C3_cF40_225_a_e_bc:Al-Cl-K +mp-1113059,Cs2KAlCl6,-3.972945061,-2.1991451129,0.0332998278,0.0332998278,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-Cs-K +mp-1112327,CsK2AlCl6,-3.873374797,-2.0780751914,0.1550265727,0.1550265727,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Cs-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Cs-K +mp-1211813,La(BIr)2,-7.555589198,-0.3612573967,0.285360604,0.285360604,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-Ir-La,20.0,A2B2C_tI40_141_h_h_c:B-Ir-La +mp-1095136,La(BOs)2,-8.603831157,-0.4539260557,0.0,-0.0856754603,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-La-Os,10.0,A2BC2_oF40_70_e_a_f:B-La-Os +mp-10112,LaB2Ir3,-8.1183517333,-0.6500028689,0.0,-0.028899845,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-La,6.0,A2B3C_hP6_191_c_g_a:B-Ir-La +mp-1188221,La(BOs)4,-8.9002732233,-0.3932683446,0.0,-0.0358183983,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-La-Os,18.0,A4BC4_tP18_86_g_a_g:B-La-Os +mp-9596,La(BIr)4,-8.0272916589,-0.5820348913,0.0,-0.084482594,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-La,18.0,A4B4C_tP18_86_g_g_a:B-Ir-La +mp-1223036,LaB4(IrOs)2,-8.4806018117,-0.5044709885,0.0,-0.0168193706,GGA,P4_2,A4B2CD2_tP18_77_2d_d_c_d:B-Ir-La-Os,18.0,A4B2CD2_tP18_77_2d_d_c_d:B-Ir-La-Os +mp-18817,NiSeO4,-6.0337193767,-1.1899188762,0.0,-0.1433624456,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Ni-O-Se,12.0,AB4C_oC24_63_a_fg_c:Ni-O-Se +mp-1210570,NiSeO5,-5.4334558104,-0.5749569941,0.4449734712,0.4449734712,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ni-O-Se,28.0,AB5C_mP28_14_e_5e_e:Ni-O-Se +mp-1209919,NiSeO5,-5.6272079821,-0.7687091659,0.2512212995,0.2512212995,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Ni-O-Se,14.0,AB5C_mC28_15_c_e2f_e:Ni-O-Se +mp-1079970,Se(Br3O)2,-1.7897653711,0.7332856156,1.2291986203,1.2291986203,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-O-Se,9.0,A6B2C_cF36_225_e_c_a:Br-O-Se +mp-1200945,NiSeO10,-4.6838802619,0.211364344,0.8063237821,0.8063237821,GGA+U,P4_12_12,AB10C_tP48_92_a_5b_a:Ni-O-Se,48.0,AB10C_tP48_92_a_5b_a:Ni-O-Se +mp-1197896,Ni3Se3O10,-5.9397163469,-1.1087768728,0.1223600288,0.1223600288,GGA+U,P-1,A3B10C3_aP32_2_be2i_10i_3i:Ni-O-Se,32.0,A3B10C3_aP32_2_be2i_10i_3i:Ni-O-Se +mp-555343,Ni5Se4(BrO6)2,-5.8074758187,-1.2270127532,0.0,-0.0296113583,GGA+U,P-1,A2B5C12D4_aP23_2_i_a2i_6i_2i:Br-Ni-O-Se,46.0,"Invalid WP multiplicities - A2B5C12D4_aP23_2_i_2a4i_6i_2i:Br-Ni-O-Se, expected Ni5Se2BrO6 to be Ni5Se4(BrO6)2" +mp-1199334,Ni3(SeO4)2,-5.97003867,-1.0542123096,0.16550267,0.16550267,GGA+U,Cmc2_1,A3B8C2_oC104_36_3b_4a6b_2ab:Ni-O-Se,52.0,"Invalid WP multiplicities - A3B8C2_oC104_36_10b_7a16b_3a2b:Ni-O-Se, expected Ni20Se7O39 to be Ni3(SeO4)2" +mp-572987,NiSeO3,-6.0131267946,-1.1899039363,0.0659637804,-0.0094202956,GGA+U,C2/c,AB3C_mC160_15_4f_12f_4f:Ni-O-Se,80.0,"Invalid WP multiplicities - AB3C_mC160_15_16f_45f_13f:Ni-O-Se, expected Ni16Se13O45 to be NiSeO3" +mp-20460,NiSeO3,-6.079090575,-1.2558677167,0.0,-0.075384076,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Se,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Se +mp-1094095,NiBrO,-4.7963506033000005,-0.7030660296,0.1561413326,0.1561413326,GGA+U,Pmmm,ABC_oP3_47_b_a_g:Br-Ni-O,3.0,ABC_oP3_47_b_a_g:Br-Ni-O +mp-1097889,NiBrO,-4.47001426,-0.3767296863,0.4824776759,0.4824776759,GGA+U,P4/mmm,ABC_tP3_123_b_a_c:Br-Ni-O,3.0,ABC_tP3_123_b_a_c:Br-Ni-O +mp-1210370,Ni(BrO6)2,-4.212203624,0.3375602343,0.5781763806,0.5781763806,GGA+U,Pa-3,A2BC12_cP60_205_c_a_2d:Br-Ni-O,60.0,A2BC12_cP60_205_c_a_2d:Br-Ni-O +mp-9782,KAg3Se2,-3.34149614,-0.5748478213,0.0,-0.01430902,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-K-Se,12.0,A3BC2_mC24_12_3i_i_2i:Ag-K-Se +mp-571288,KTa(AgSe2)2,-4.9854921019,-0.9083752901,0.0,-0.0123466016,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Ag-K-Se-Ta,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_ab_b_3b2c_b:Ag-K-Se-Ta, expected KTaAg2Se7 to be KTa(AgSe2)2" +mp-573891,K2Ag4Se3,-3.3435173511,-0.6725444244000001,0.0,-0.0151702583,GGA,C2/m,A4B2C3_mC36_12_4i_2i_3i:Ag-K-Se,18.0,"Invalid WP multiplicities - A4B2C3_mC36_12_8i_2i_6i:Ag-K-Se, expected KAg4Se3 to be K2Ag4Se3" +mp-16236,KAgSe,-3.3020489983,-0.8224268557000001,0.0,-0.0045388342,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ag-K-Se,6.0,ABC_tP6_129_a_c_c:Ag-K-Se +mp-1223811,K2(TaSe2)3,-6.4765449805,-1.1338541032,0.0,-0.0159563555,GGA,P-6m2,A2B6C3_hP22_187_adg_6i_3h:K-Se-Ta,22.0,"Invalid WP multiplicities - A2B6C3_hP22_187_adg_12i_6h:K-Se-Ta, expected K(TaSe2)3 to be K2(TaSe2)3" +mp-582161,K3Ta2Ag3Se8,-5.0182329472,-1.0487509514,0.0,-0.0700304477,GGA,C2/c,A3B3C8D2_mC64_15_ef_af_4f_f:Ag-K-Se-Ta,32.0,"Invalid WP multiplicities - A3B3C8D2_mC64_15_2e2f_2a2f_14f_f:Ag-K-Se-Ta, expected K3TaAg3Se14 to be K3Ta2Ag3Se8" +mp-1110640,K2InAsBr6,-3.264828865,-1.3698518641,0.1247654531,0.1247654531,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-In-K +mp-21741,K2In2As3,-3.5125746811000003,-0.4123574569,0.0,-0.0292659108,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:As-In-K,56.0,"Invalid WP multiplicities - A3B2C2_mP56_14_8e_5e_4e:As-In-K, expected K4In5As8 to be K2In2As3" +mp-1111490,K3InBr6,-3.246344313,-1.7062392579,0.0790383252,0.0790383252,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-In-K,10.0,A6BC3_cF40_225_e_a_bc:Br-In-K +mp-1226185,K6InAs3,-2.753514277,-0.4143710143,0.0,-0.0473225792,GGA,P-1,A3BC6_aP40_2_6i_2i_12i:As-In-K,40.0,A3BC6_aP40_2_6i_2i_12i:As-In-K +mp-22932,KInBr4,-3.2740708304,-1.5950381642,0.0,-0.0355996046,GGA,Pnna,A4BC_oP24_52_2e_c_d:Br-In-K,24.0,A4BC_oP24_52_2e_c_d:Br-In-K +mp-28529,KInBr3,-3.2797647855,-1.5755312521,0.0,-0.0082779243,GGA,P-3,A3BC_hP20_147_2g_2d_cd:Br-In-K,20.0,A3BC_hP20_147_2g_2d_cd:Br-In-K +mp-1110931,KInBr3,-3.211932292,-1.5076987586,0.0678324935,0.0595545692,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:Br-In-K,10.0,A3BC_cF40_225_e_ab_c:Br-In-K +mp-583615,K3In2As3,-3.2864074406,-0.4349175011,0.0,-0.0323547094,GGA,Cmce,A3B2C3_oC64_64_fg_2d_fg:As-In-K,32.0,"Invalid WP multiplicities - A3B2C3_oC64_64_3f4g_4d_4f5g:As-In-K, expected K14In4As11 to be K3In2As3" +mp-1110929,K3AsBr6,-3.272222096,-1.5413735734,0.0714096825,0.0714096825,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-Br-K,10.0,AB6C3_cF40_225_a_e_bc:As-Br-K +mp-758599,Sr5(ReO3)12,-8.6420136481,-2.304983703,0.0161559143,0.0161559143,GGA,P1,A36B12C5_aP53_1_36a_12a_5a:O-Re-Sr,53.0,A36B12C5_aP53_1_36a_12a_5a:O-Re-Sr +mp-1020723,Sr2Ga2O5,-6.5476144017,-2.7511007897,0.0117797433,0.0117797433,GGA,Pbca,A2B5C2_oP72_61_2c_5c_2c:Ga-O-Sr,72.0,A2B5C2_oP72_61_2c_5c_2c:Ga-O-Sr +mp-1206618,Sr2GaReO6,-7.448457248,-2.5952830098,0.082939337,0.082939337,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-O-Re-Sr +mp-18253,SrGa4O7,-6.5389477708,-2.503222894,0.0,-0.0173678039,GGA,C2/c,A4B7C_mC48_15_2f_e3f_e:Ga-O-Sr,24.0,"Invalid WP multiplicities - A4B7C_mC48_15_2f_e4f_e:Ga-O-Sr, expected SrGa4O9 to be SrGa4O7" +mp-29908,Sr11(ReO6)4,-7.6745507749,-2.8775490878000003,0.0,-0.0042406177,GGA,I4_1/a,A24B4C11_tI156_88_6f_cd_ae2f:O-Re-Sr,78.0,"Invalid WP multiplicities - A24B4C11_tI156_88_7f_cd_ae3f:O-Re-Sr, expected Sr15(ReO7)4 to be Sr11(ReO6)4" +mp-680384,Sr10Ga6O19,-6.509141275,-2.8219813841,0.012864054,0.012864054,GGA,C2/c,A6B19C10_mC280_15_6f_19f_2e9f:Ga-O-Sr,140.0,"Invalid WP multiplicities - A6B19C10_mC280_15_23f_75f_4e36f:Ga-O-Sr, expected Sr38Ga23O75 to be Sr10Ga6O19" +mp-1187226,SrReO3,-8.19681131,-2.4019939556,0.1261212551,0.1261212551,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-Sr,5.0,A3BC_cP5_221_c_b_a:O-Re-Sr +mp-1204230,Sr4Ga2O7,-6.5021388179,-2.8528321382,0.0069242286,0.0069242286,GGA,Pc,A2B7C4_mP208_7_16a_56a_32a:Ga-O-Sr,208.0,A2B7C4_mP208_7_16a_56a_32a:Ga-O-Sr +mp-1208656,SrReO2,-7.5700914287,-1.5632419135,0.8316681325,0.8316681325,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Re-Sr,16.0,A2BC_tI32_141_h_c_d:O-Re-Sr +mp-4446,Sr3(GaO3)2,-6.5280372903,-2.8185095928,0.0016157511,0.0016157511,GGA,Pa-3,A2B6C3_cP264_205_2d_6d_ab2c2d:Ga-O-Sr,264.0,A2B6C3_cP264_205_2d_6d_ab2c2d:Ga-O-Sr +mp-30158,Sr3Ga4O9,-6.5798411538,-2.7235247255,0.0,-0.0162697871,GGA,P-1,A4B9C3_aP32_2_4i_9i_3i:Ga-O-Sr,32.0,A4B9C3_aP32_2_4i_9i_3i:Ga-O-Sr +mp-531197,Sr(ReO3)3,-8.6756107756,-2.2492051287,0.0378176326,0.0378176326,GGA,Pnn2,A9B3C_oP52_34_2a8c_2b2c_c:O-Re-Sr,52.0,"Invalid WP multiplicities - A9B3C_oP52_34_4a28c_4b5c_c:O-Re-Sr, expected SrRe7O30 to be Sr(ReO3)3" +mp-1020709,Sr5(Ga3O7)2,-6.5608153014,-2.726027887,0.0116649292,0.0116649292,GGA,P2_1/c,A6B14C5_mP50_14_3e_7e_a2e:Ga-O-Sr,50.0,A6B14C5_mP50_14_3e_7e_a2e:Ga-O-Sr +mp-555428,Sr5(ReO6)2,-7.7554898168,-2.8767115972,0.0,-0.1046017049,GGA,R-3c,A12B2C5_hR342_167_6f_bce_ac2f:O-Re-Sr,114.0,"Invalid WP multiplicities - A12B2C5_hR342_167_65f_b4c5e_2a4c17f:O-Re-Sr, expected Sr56(Re4O65)3 to be Sr5(ReO6)2" +mp-4851,Sr(GaO2)2,-6.573414457,-2.6402086936,0.0,-0.0110990388,GGA,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Ga-O-Sr,56.0,A2B4C_mP56_14_4e_8e_2e:Ga-O-Sr +mp-554923,Sr(GaO2)2,-6.5726989923,-2.639493229,0.0007154646,-0.0103835741,GGA,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Ga-O-Sr,56.0,"Invalid WP multiplicities - A2B4C_mP56_14_12e_28e_4e:Ga-O-Sr, expected SrGa3O7 to be Sr(GaO2)2" +mp-1201384,Sr3(GaO6)2,-5.5494244885,-1.4032517274,0.4625891023,0.4625891023,GGA,Ia-3d,A2B12C3_cI136_230_a_h_c:Ga-O-Sr,68.0,A2B12C3_cI136_230_a_h_c:Ga-O-Sr +mp-863423,SrGa12O19,-6.4630004755,-2.3375713743,0.0197372392,0.0197372392,GGA,P6_3mc,A12B19C_hP64_186_2a4b2c_2a2b5c_b:Ga-O-Sr,64.0,"Invalid WP multiplicities - A12B19C_hP64_186_3a8b11c_4a4b29c_b:Ga-O-Sr, expected SrGa44O95 to be SrGa12O19" +mp-30165,Sr7Re4O19,-7.941004195,-2.7546159141,0.0049549446,0.0049549446,GGA,C2/m,A19B4C7_mC60_12_a3i3j_2i_b3i:O-Re-Sr,30.0,A19B4C7_mC60_12_a3i3j_2i_b3i:O-Re-Sr +mp-1111591,K2AlTlBr6,-3.401495765,-1.6367770799,0.1102570222,0.1102570222,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-K-Tl +mp-1111155,KTlBr3,-3.024775913,-1.3983504963,0.0763020368,0.0763020368,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Br-K-Tl,10.0,A3BC_cF40_225_e_c_ab:Br-K-Tl +mp-30978,KAl2Br7,-3.6767201138,-1.7294452221,0.0,-0.0026883373,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Al-Br-K,40.0,A2B7C_mP40_14_2e_7e_e:Al-Br-K +mp-1111185,K3AlBr6,-3.454543857,-1.8150495919,0.1075664012,0.1075664012,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-Br-K,10.0,AB6C3_cF40_225_a_e_bc:Al-Br-K +mp-1211750,KAlBr4,-3.6686168637,-1.8239355142,0.0,-0.037625044,GGA,P2/c,AB4C_mP24_13_g_4g_ef:Al-Br-K,24.0,AB4C_mP24_13_g_4g_ef:Al-Br-K +mp-1111161,K3TlBr6,-3.055525453,-1.5543244562,0.0959099677,0.0959099677,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Tl,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Tl +mp-28048,KTlBr4,-2.9841588012,-1.3699662323,0.0,-0.1088562483,GGA,Pnna,A4BC_oP24_52_2e_d_c:Br-K-Tl,24.0,A4BC_oP24_52_2e_d_c:Br-K-Tl +mp-10333,Pr(ZnP)3,-4.1300667864,-0.5872033429,0.0,-0.0211866404,GGA,P6_3/mmc,A3BC3_hP14_194_cf_a_df:P-Pr-Zn,14.0,A3BC3_hP14_194_cf_a_df:P-Pr-Zn +mp-1219728,PrZnAgP2,-4.604919152,-0.6649570757000001,0.0309184027,0.0309184027,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-P-Pr-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-P-Pr-Zn +mp-769189,Dy2Bi2O7,-7.2328902423,-2.5491290678,0.079506155,0.079506155,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Bi-Dy-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Bi-Dy-O, expected DyBiO10 to be Dy2Bi2O7" +mp-23072,BiBrO,-5.04711335,-1.6003779596,0.0,-0.0598372313,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-Br-O,6.0,ABC_tP6_129_c_c_a:Bi-Br-O +mp-552992,DyBi2BrO4,-6.6441494512,-2.4407059169,0.0,-0.0550594769,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Dy-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Dy-O +mp-23544,Bi4Br2O5,-5.5745069655,-1.6471018076,0.0,-0.0034761591,GGA,P2_1,A4B2C5_mP44_4_8a_4a_10a:Bi-Br-O,44.0,"Invalid WP multiplicities - A4B2C5_mP44_4_8a_5a_11a:Bi-Br-O, expected Bi8Br5O11 to be Bi4Br2O5" +mp-29447,Bi3BrO4,-5.7538614731,-1.6462051525,0.0136383794,0.0056487975,GGA,Pnna,A3BC4_oP32_52_ce_d_2e:Bi-Br-O,32.0,A3BC4_oP32_52_ce_d_2e:Bi-Br-O +mp-866311,Bi3BrO4,-5.7674998525,-1.6598435319,0.0,-0.0079895819,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:Bi-Br-O,8.0,A3BC4_tP8_123_ah_b_i:Bi-Br-O +mp-769364,Dy(BiO2)3,-6.785516361,-2.2046777113,0.044664944,0.044664944,GGA,R-3,A3BC6_hR60_148_f_ab_2f:Bi-Dy-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_148_f_ab_7f:Bi-Dy-O, expected Dy(BiO7)3 to be Dy(BiO2)3" +mp-1069561,Dy2BiO2,-7.57300715,-2.9835191035,0.0,-0.0766614373,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Dy-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Dy-O +mp-727356,Dy(BrO2)3,-4.9717702425,-1.0771698327,0.1002106711,0.1002106711,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Br-Dy-O,20.0,A3BC6_mP20_13_eg_f_3g:Br-Dy-O +mp-757587,Dy5Bi11O24,-6.9585660214,-2.3585699289,0.0375312244,0.0375312244,GGA,P1,A11B5C24_aP80_1_22a_10a_48a:Bi-Dy-O,80.0,A11B5C24_aP80_1_22a_10a_48a:Bi-Dy-O +mp-558302,Bi5BrO7,-5.91029783,-1.6501212947,0.0106703646,0.0106703646,GGA,Cmce,A5BC7_oC104_64_f2g_f_e3g:Bi-Br-O,52.0,"Invalid WP multiplicities - A5BC7_oC104_64_3f8g_f_4e18g:Bi-Br-O, expected Bi19BrO40 to be Bi5BrO7" +mp-1206613,Bi2Br2O,-3.745451626,-0.5987068997,0.6941859453,0.6941859453,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Bi-Br-O,5.0,A2B2C_tP5_123_g_g_a:Bi-Br-O +mp-1206949,Dy2Br2O,-5.022073406,-1.5688095957,1.0032529387,1.0032529387,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Dy-O,5.0,A2B2C_tP5_123_g_g_a:Br-Dy-O +mp-1207000,DyBiO3,-6.355123798,-1.6976553773,1.13872127,1.13872127,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-Dy-O,5.0,ABC3_cP5_221_b_a_c:Bi-Dy-O +mp-753975,Dy2(BiO2)7,-6.66252927,-2.082066681,0.0729435292,0.0729435292,GGA,Cm,A7B2C14_mC46_8_7a_2a_14a:Bi-Dy-O,23.0,A7B2C14_mC46_8_7a_2a_14a:Bi-Dy-O +mp-766249,Bi24Br10O31,-5.6200764454000005,-1.6039322536,0.0494424029,0.0494424029,GGA,P1,A24B10C31_aP65_1_24a_10a_31a:Bi-Br-O,65.0,A24B10C31_aP65_1_24a_10a_31a:Bi-Br-O +mp-852444,Bi24Br10O31,-2.1372439512,1.8789002406,3.5322748971,3.5322748971,GGA,P1,A24B10C31_aP65_1_24a_10a_31a:Bi-Br-O,65.0,A24B10C31_aP65_1_24a_10a_31a:Bi-Br-O +mp-1214265,Bi12Br5O16,-5.6362137752,-1.6059704239,0.0312857305,0.0312857305,GGA,C2/m,A12B5C16_mC66_12_6i_a2i_8i:Bi-Br-O,33.0,A12B5C16_mC66_12_6i_a2i_8i:Bi-Br-O +mp-849319,Dy(Bi3O5)4,-6.3048826733,-1.770748412,0.0570692107,0.0570692107,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Dy-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_6c5f:Bi-Dy-O, expected Dy(BiO7)12 to be Dy(Bi3O5)4" +mp-28769,K(SnSe2)2,-4.175073605,-0.8731895239,0.0,-0.0028133455,GGA,Cm,AB4C2_mC28_8_b_2a3b_2ab:K-Se-Sn,14.0,"Invalid WP multiplicities - AB4C2_mC28_8_b_2a4b_2ab:K-Se-Sn, expected KSn2Se5 to be K(SnSe2)2" +mp-1093705,K2HgSe,-1.68735961,-0.1822621758,0.7584814543,0.7584814543,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-K-Se,4.0,AB2C_oI8_71_a_e_b:Hg-K-Se +mp-29386,K6Sn2Se7,-3.8047058224,-1.1945113067,0.0,-0.0009421081,GGA,P2_1/c,A6B7C2_mP120_14_12e_14e_4e:K-Se-Sn,120.0,A6B7C2_mP120_14_12e_14e_4e:K-Se-Sn +mp-8966,K2Sn2Se5,-4.0673751128,-0.9874307803,0.0,-0.0088183333,GGA,C2/c,A2B5C2_mC36_15_f_e2f_f:K-Se-Sn,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_e4f_f:K-Se-Sn, expected K2Sn2Se9 to be K2Sn2Se5" +mp-18132,K4SnSe4,-3.7312495306,-1.238492469,0.0,-0.0340799113,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:K-Se-Sn,36.0,A4B4C_oP36_62_acd_2cd_c:K-Se-Sn +mp-1224491,K4Sn21Hg2,-3.448137677,-0.1425834003,0.0,-0.0146299828,GGA,Ama2,A2B4C21_oC108_40_ab_a3b_5b8c:Hg-K-Sn,54.0,"Invalid WP multiplicities - A2B4C21_oC108_40_2ab_2a3b_9b30c:Hg-K-Sn, expected K5(Sn23Hg)3 to be K4Sn21Hg2" +mp-9693,K2SnSe3,-3.91253499,-1.126184293,0.0,-0.0071374828,GGA,P-1,A2B3C_aP12_2_2i_3i_i:K-Se-Sn,12.0,"Invalid WP multiplicities - A2B3C_aP12_2_2i_6i_i:K-Se-Sn, expected K2SnSe6 to be K2SnSe3" +mp-571016,KSnSe2,-3.9440784687,-0.9161300294,0.0956457072,0.0956457072,GGA,I4cm,AB2C_tI16_108_a_c_b:K-Se-Sn,8.0,AB2C_tI16_108_a_c_b:K-Se-Sn +mp-1191206,K6HgSe4,-3.0792028595,-1.1746828634,0.0,-0.047935377,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Hg-K-Se,22.0,AB6C4_hP22_186_b_2c_bc:Hg-K-Se +mp-541875,K3SnSe3,-3.7504459104,-1.2035168919,0.0,-0.0092562968,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:K-Se-Sn,28.0,A3B3C_mP28_14_3e_3e_e:K-Se-Sn +mp-4971,K4Sn3Se8,-4.006089192,-1.0435823137,0.0,-0.0006501283,GGA,Ccce,A4B8C3_oC60_68_2e_2i_ae:K-Se-Sn,30.0,"Invalid WP multiplicities - A4B8C3_oC60_68_2e_3i_ae:K-Se-Sn, expected K4(SnSe4)3 to be K4Sn3Se8" +mp-1211830,K4Sn20Hg3,-3.299973255,-0.1316742186,0.0115987365,0.0115987365,GGA,Pm-3n,A3B4C20_cP54_223_c_ad_ik:Hg-K-Sn,54.0,A3B4C20_cP54_223_c_ad_ik:Hg-K-Sn +mp-568968,K2SnHgSe4,-3.5204261925,-0.9557141894,0.0,-0.0006405375,GGA,I-42m,AB2C4D_tI16_121_a_c_i_b:Hg-K-Se-Sn,8.0,AB2C4D_tI16_121_a_c_i_b:Hg-K-Se-Sn +mp-1212008,K2Hg3Se4,-2.6893444939,-0.7876239495,0.0,-0.0472765733,GGA,Pbcn,A3B2C4_oP36_60_cd_d_2d:Hg-K-Se,36.0,A3B2C4_oP36_60_cd_d_2d:Hg-K-Se +mp-1220696,Nb2AgS4,-6.8153989514,-1.1609753013,0.0,-0.0045417838,GGA,P3m1,AB2C4_hP7_156_a_ab_2a2b:Ag-Nb-S,7.0,AB2C4_hP7_156_a_ab_2a2b:Ag-Nb-S +mp-29163,Ag2TeS3,-3.8143172725,-0.2780226891,0.0,-0.1130114446,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Ag-S-Te,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_3a_a:Ag-S-Te, expected Ag4TeS3 to be Ag2TeS3" +mp-1220596,Nb4AgS8,-7.1123385638,-1.2408481717,0.0069873462,0.0069873462,GGA,R3m,AB4C8_hR39_160_a_4a_8a:Ag-Nb-S,13.0,AB4C8_hR39_160_a_4a_8a:Ag-Nb-S +mp-676348,NbAg7S6,-4.3309215986,-0.4203575797,0.0591555719,0.0591555719,GGA,P1,A7BC6_aP14_1_7a_a_6a:Ag-Nb-S,14.0,A7BC6_aP14_1_7a_a_6a:Ag-Nb-S +mp-3926,NbAg7S6,-4.3549614971,-0.4443974782,0.0351156733,0.0351156733,GGA,Pc,A7BC6_mP28_7_7a_a_6a:Ag-Nb-S,28.0,A7BC6_mP28_7_7a_a_6a:Ag-Nb-S +mp-1189406,Nb3AgTe4,-5.95202266,-0.2383108229,0.3767966817,0.3767966817,GGA,P2_1/m,AB3C4_mP16_11_a_3e_4e:Ag-Nb-Te,16.0,"Invalid WP multiplicities - AB3C4_mP16_11_a_6e_7e:Ag-Nb-Te, expected Nb6AgTe7 to be Nb3AgTe4" +mp-1237898,Nb3AgTe4,-5.9961633212,-0.2824514842,0.3326560204,0.3326560204,GGA,P6_3/m,AB3C4_hP16_176_b_h_ch:Ag-Nb-Te,16.0,AB3C4_hP16_176_b_h_ch:Ag-Nb-Te +mp-1220648,Nb3Ag2TeS6,-6.4264744858,-1.0988884674,0.0,-0.0363789263,GGA,Amm2,A2B3C6D_oC24_38_d_be_cf_a:Ag-Nb-S-Te,12.0,A2B3C6D_oC24_38_d_be_cf_a:Ag-Nb-S-Te +mp-1220967,NaLiCdS2,-3.684354154,-1.1989066232,0.0,-0.021120671,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cd-Li-Na-S,5.0,ABCD2_hP5_156_a_b_c_ab:Cd-Li-Na-S +mp-1210528,Na2LiS2,-2.552318024,0.0130566135,1.2686595485,1.2686595485,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Li-Na-S,5.0,AB2C2_tP5_123_a_g_g:Li-Na-S +mp-8452,NaLiS,-3.8297160267,-1.3737500177,0.0,-0.0061650733,GGA,P4/nmm,ABC_tP6_129_a_c_c:Li-Na-S,6.0,ABC_tP6_129_a_c_c:Li-Na-S +mp-559210,Ca5Te3O14,-6.5487288316,-2.516385239,0.0007399334,0.0007399334,GGA,Cmce,A5B14C3_oC88_64_aef_f3g_bc:Ca-O-Te,44.0,"Invalid WP multiplicities - A5B14C3_oC88_64_2a3e4f_3f18g_2b3c:Ca-O-Te, expected Ca8Te4O39 to be Ca5Te3O14" +mp-1227007,CaZnO2,-5.701434755,-2.4117545269000003,0.1373408725,0.1373408725,GGA,P3m1,AB2C_hP4_156_a_ab_b:Ca-O-Zn,4.0,AB2C_hP4_156_a_ab_b:Ca-O-Zn +mp-15511,CaTe3O8,-6.1483804546,-1.8976281838,0.0,-0.0145255394,GGA,C2/c,AB8C3_mC48_15_e_4f_af:Ca-O-Te,24.0,AB8C3_mC48_15_e_4f_af:Ca-O-Te +mp-555961,Ca3Zn3(TeO6)2,-5.9730744867,-2.2009291472,0.1204085059,0.061548442,GGA,I4_132,A3B12C2D3_cI160_214_g_2i_e_h:Ca-O-Te-Zn,80.0,"Invalid WP multiplicities - A3B12C2D3_cI160_214_g_22i_e_h:Ca-O-Te-Zn, expected Ca3Zn3(TeO66)2 to be Ca3Zn3(TeO6)2" +mp-14778,Ca3Zn3(TeO6)2,-6.0934829926,-2.321337653,0.0,-0.0588600639,GGA,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Te-Zn,80.0,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Te-Zn +mp-16819,ZnTeO3,-5.4820599088,-1.6334367813,0.0007195042,0.0007195042,GGA,Pbca,A3BC_oP40_61_3c_c_c:O-Te-Zn,40.0,A3BC_oP40_61_3c_c_c:O-Te-Zn +mp-1215755,Zn4TeO3,-4.1086923813,-1.2308990729,0.28379313,0.28379313,GGA,Amm2,A3BC4_oC16_38_ae_a_2bd:O-Te-Zn,8.0,A3BC4_oC16_38_ae_a_2bd:O-Te-Zn +mp-3502,Zn2Te3O8,-5.5732452581,-1.6099441358000002,0.0,-0.0083271859,GGA,C2/c,A8B3C2_mC52_15_4f_ef_f:O-Te-Zn,26.0,"Invalid WP multiplicities - A8B3C2_mC52_15_5f_ef_f:O-Te-Zn, expected Zn2Te3O10 to be Zn2Te3O8" +mp-560198,ZnTe6O13,-5.736752485,-1.5154258742,0.0173027904,0.0173027904,GGA,R-3,A13B6C_hR120_148_c4f_2f_c:O-Te-Zn,40.0,"Invalid WP multiplicities - A13B6C_hR120_148_2c18f_4f_c:O-Te-Zn, expected Zn(Te3O14)4 to be ZnTe6O13" +mp-1195434,CaTeO4,-6.2084750019,-2.0525315655,0.2181228781,0.150853707,GGA,Pna2_1,AB4C_oP48_33_2a_8a_2a:Ca-O-Te,48.0,AB4C_oP48_33_2a_8a_2a:Ca-O-Te +mp-12221,CaTeO4,-6.42659788,-2.2706544436,0.0,-0.0672691712,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ca-O-Te,24.0,AB4C_oP24_60_c_2d_c:Ca-O-Te +mp-1042155,ZnTe2O7,-5.436735959,-1.2194183215,0.2424568926,0.2424568926,GGA,P2_1,A7B2C_mP20_4_7a_2a_a:O-Te-Zn,20.0,A7B2C_mP20_4_7a_2a_a:O-Te-Zn +mp-1383358,Ca2TeO5,-6.336597445,-2.3506037938,0.2589479019,0.2589479019,GGA,Ima2,A2B5C_oI32_46_c_b2c_a:Ca-O-Te,16.0,A2B5C_oI32_46_c_b2c_a:Ca-O-Te +mp-13199,Zn3TeO6,-5.3606218123,-1.7003549133,0.0,-0.0883796118,GGA,C2/c,A6BC3_mC120_15_9f_af_e4f:O-Te-Zn,60.0,"Invalid WP multiplicities - A6BC3_mC120_15_12f_cf_e4f:O-Te-Zn, expected Zn3TeO8 to be Zn3TeO6" +mp-726149,CaZn2O8,-4.9127634745,-0.90380013,0.3496876959,0.3496876959,GGA,P2_1/c,AB8C2_mP22_14_a_4e_e:Ca-O-Zn,22.0,AB8C2_mP22_14_a_4e_e:Ca-O-Zn +mp-5279,Ca3TeO6,-6.696913827,-2.8128900469,0.0,-0.0857660612,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Ca-O-Te,20.0,A3B6C_mP20_14_ae_3e_b:Ca-O-Te +mp-1215410,Zn2TeO,-3.53443686,-0.8820664039,0.3557827425,0.3557827425,GGA,R3m,ABC2_hR12_160_a_a_2a:O-Te-Zn,4.0,ABC2_hR12_160_a_a_2a:O-Te-Zn +mp-779552,ZnTe2O5,-5.6053252828,-1.5703504137,0.0181449801,0.0181449801,GGA,Pnma,A5B2C_oP64_62_2c4d_2cd_d:O-Te-Zn,64.0,"Invalid WP multiplicities - A5B2C_oP64_62_8c13d_5c4d_d:O-Te-Zn, expected Zn2Te13O34 to be ZnTe2O5" +mp-779698,ZnTe2O5,-5.5957677225,-1.5607928534000002,0.0277025404,0.0277025404,GGA,P4_2/nbc,A5B2C_tP64_133_j2k_k_ac:O-Te-Zn,64.0,"Invalid WP multiplicities - A5B2C_tP64_133_4j13k_k_3a4c:O-Te-Zn, expected Zn7(TeO15)4 to be ZnTe2O5" +mp-1042174,CaTe2O7,-5.9517989805,-1.659895716,0.239551096,0.239551096,GGA,P2_1,AB7C2_mP20_4_a_7a_2a:Ca-O-Te,20.0,AB7C2_mP20_4_a_7a_2a:Ca-O-Te +mp-1215648,Zn4Te3O,-3.1515006725,-0.7245530686,0.2364530212,0.2364530212,GGA,R3m,AB3C4_hR24_160_a_3a_4a:O-Te-Zn,8.0,AB3C4_hR24_160_a_3a_4a:O-Te-Zn +mp-680711,Ca4Te5O14,-6.3414169314,-2.298261673,0.0046823057,0.0046823057,GGA,Pbca,A4B14C5_oP184_61_4c_14c_5c:Ca-O-Te,184.0,"Invalid WP multiplicities - A4B14C5_oP184_61_25c_107c_34c:Ca-O-Te, expected Ca25Te34O107 to be Ca4Te5O14" +mp-5040,CaTe2O5,-6.226980865,-2.0987739621,0.0,-0.0262747095,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ca-O-Te,32.0,AB5C2_mP32_14_e_5e_2e:Ca-O-Te +mp-561374,CaTeO3,-6.3960821411,-2.3982877597,0.0135468945,-0.0112004667,GGA,P1,AB3C_aP90_1_18a_54a_18a:Ca-O-Te,90.0,AB3C_aP90_1_18a_54a_18a:Ca-O-Te +mp-2981,CaTeO3,-6.3980942964,-2.400299915,0.0115347392,-0.013212622,GGA,P-1,AB3C_aP90_2_9i_27i_9i:Ca-O-Te,90.0,AB3C_aP90_2_9i_27i_9i:Ca-O-Te +mp-1228456,CaTeO3,-6.39413501,-2.3963406286,0.0154940256,-0.0092533355,GGA,P-1,AB3C_aP90_2_9i_27i_9i:Ca-O-Te,90.0,AB3C_aP90_2_9i_27i_9i:Ca-O-Te +mp-17008,CaTeO3,-6.396704963,-2.3989105816,0.0129240726,-0.0118232885,GGA,P2_1,AB3C_mP30_4_3a_9a_3a:Ca-O-Te,30.0,"Invalid WP multiplicities - AB3C_mP30_4_4a_13a_3a:Ca-O-Te, expected Ca4Te3O13 to be CaTeO3" +mp-560097,CaTeO3,-6.3963999927,-2.3986056113,0.0132290429,-0.0115183182,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Ca-O-Te,60.0,"Invalid WP multiplicities - AB3C_mP60_14_9e_28e_9e:Ca-O-Te, expected Ca9Te9O28 to be CaTeO3" +mp-1195263,CaTeO3,-6.3825486325,-2.3847542511,0.0270804031,0.002333042,GGA,Pca2_1,AB3C_oP40_29_2a_6a_2a:Ca-O-Te,40.0,AB3C_oP40_29_2a_6a_2a:Ca-O-Te +mp-1366217,CaTeO3,-6.4096290356,-2.4118346542,0.0,-0.0247473611,GGA,P4_1,AB3C_tP100_76_5a_15a_5a:Ca-O-Te,100.0,"Invalid WP multiplicities - AB3C_tP100_76_20a_57a_17a:Ca-O-Te, expected Ca20Te17O57 to be CaTeO3" +mp-560656,CaTeO3,-6.4068527626,-2.4090583812,0.002776273,-0.0219710881,GGA,P4_3,AB3C_tP100_78_5a_15a_5a:Ca-O-Te,100.0,"Invalid WP multiplicities - AB3C_tP100_78_20a_57a_17a:Ca-O-Te, expected Ca20Te17O57 to be CaTeO3" +mp-1227022,CaZn3O4,-5.2930863462,-2.0966381519,0.0736771775,0.0736771775,GGA,Cm,AB4C3_mC16_8_a_4a_3a:Ca-O-Zn,8.0,AB4C3_mC16_8_a_4a_3a:Ca-O-Zn +mp-1183540,CaZnO3,-5.42397338,-1.8028914553,0.238167658,0.238167658,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Zn,5.0,AB3C_cP5_221_a_c_b:Ca-O-Zn +mp-1223565,La20Mn8Te7C12,-7.2515622055,-0.7672347247,0.0,-0.1051637959,GGA,Fm-3m,A12B20C8D7_cF188_225_g_fh_f_ae:C-La-Mn-Te,47.0,A12B20C8D7_cF188_225_g_fh_f_ae:C-La-Mn-Te +mp-17905,Cs2Hg6S7,-2.8026994033,-0.6314970032,0.0,-0.00957765,GGA,P4_2nm,A2B6C7_tP30_102_c_cd_acd:Cs-Hg-S,30.0,A2B6C7_tP30_102_c_cd_acd:Cs-Hg-S +mp-572598,Cs2Ge2S5,-4.5995268725,-1.0751813404,0.0,-0.2158716281,GGA,C2/c,A2B2C5_mC72_15_2f_2f_2e4f:Cs-Ge-S,36.0,"Invalid WP multiplicities - A2B2C5_mC72_15_4f_5f_3e15f:Cs-Ge-S, expected Cs8Ge10S33 to be Cs2Ge2S5" +mp-1190220,Hg4GeS6,-3.2268942959,-0.4399444308,0.0167883418,0.0167883418,GGA,Cc,AB4C6_mC44_9_a_4a_6a:Ge-Hg-S,22.0,AB4C6_mC44_9_a_4a_6a:Ge-Hg-S +mp-1213712,Cs2Hg3(GeS4)2,-3.8024477013,-0.7998143357,0.0,-0.0031016558,GGA,P-1,A2B2C3D8_aP15_2_i_i_ai_4i:Cs-Ge-Hg-S,15.0,A2B2C3D8_aP15_2_i_i_ai_4i:Cs-Ge-Hg-S +mp-1105419,Cs2Hg3S4,-2.9224863856,-0.7838591293,0.0,-0.046962283,GGA,Ibam,A2B3C4_oI36_72_j_af_k:Cs-Hg-S,18.0,A2B3C4_oI36_72_j_af_k:Cs-Hg-S +mp-1212738,Gd3SiBr3,-9.159231175,-1.685978355,0.0,-0.0994113623,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-Gd-Si,28.0,A3B3C_cI56_214_h_g_a:Br-Gd-Si +mp-1199792,Gd4(SiS4)3,-8.1714535868,-1.7389356157,0.0,-0.0064917042,GGA,P2_1/c,A4B12C3_mP76_14_4e_12e_3e:Gd-S-Si,76.0,A4B12C3_mP76_14_4e_12e_3e:Gd-S-Si +mp-1198817,Gd4(SiS4)3,-8.1445079679,-1.7119899967,0.0269456189,0.0204539147,GGA,R3c,A4B12C3_hR114_161_ab_4b_b:Gd-S-Si,38.0,A4B12C3_hR114_161_ab_4b_b:Gd-S-Si +mp-1212521,GdSBr,-8.9644912325,-2.3759577535,0.0054345083,0.0054345083,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-Gd-S,12.0,ABC_mP12_14_e_e_e:Br-Gd-S +mp-1194050,Gd3Si2S8Br,-8.0511959221,-1.7852223475,0.0148905377,0.0148905377,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Br-Gd-S-Si,28.0,AB3C8D2_mC56_15_e_ef_4f_f:Br-Gd-S-Si +mp-1196271,FeAsO6,-6.2979929206,-0.9468339353,0.3133482268,0.3133482268,GGA+U,Pbca,ABC6_oP64_61_c_c_6c:As-Fe-O,64.0,ABC6_oP64_61_c_c_6c:As-Fe-O +mp-1201743,FeAsO6,-6.2256786675,-0.8745196822,0.3856624799,0.3856624799,GGA+U,P-3c1,ABC6_hP48_165_f_bd_3g:As-Fe-O,48.0,ABC6_hP48_165_f_bd_3g:As-Fe-O +mp-543107,Fe2(AsO4)3,-6.673578549,-1.3631278331,0.1444043732,0.1444043732,GGA+U,P2_1/c,A3B2C12_mP68_14_3e_2e_12e:As-Fe-O,68.0,"Invalid WP multiplicities - A3B2C12_mP68_14_11e_3e_43e:As-Fe-O, expected Fe3As11O43 to be Fe2(AsO4)3" +mp-1225899,Fe4(AsO7)3,-6.1957354475,-0.7765246264,0.4561185419,0.4561185419,GGA+U,Cmm2,A3B4C21_oC56_35_ac_de_b3d3e2f:As-Fe-O,28.0,"Invalid WP multiplicities - A3B4C21_oC56_35_ac_2de_b6d4e7f:As-Fe-O, expected Fe6As3O49 to be Fe4(AsO7)3" +mp-1208355,TbAsO2,-6.9397308444,-2.1430153625,0.7034378893000001,0.7034378893000001,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:As-O-Tb,16.0,AB2C_tI32_141_c_h_d:As-O-Tb +mp-1184215,FeAsO3,-6.48276029,-0.8889191403000001,0.7799321878000001,0.7799321878000001,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:As-Fe-O,5.0,ABC3_cP5_221_b_a_c:As-Fe-O +mp-2237160,Fe4As2O11,-7.3215941741,-1.5797178521,0.108646162,0.108646162,GGA+U,P1,A2B4C11_aP17_1_2a_4a_11a:As-Fe-O,17.0,"Invalid WP multiplicities - A2B4C11_aP17_2_i_2i_a6i:As-Fe-O, expected Fe4As2O13 to be Fe4As2O11" +mp-29472,Fe4As2O11,-7.4026856818,-1.6608093598,0.0275546543,0.0275546543,GGA+U,P-1,A2B4C11_aP17_2_i_2i_a5i:As-Fe-O,17.0,"Invalid WP multiplicities - A2B4C11_aP17_2_i_2i_a6i:As-Fe-O, expected Fe4As2O13 to be Fe4As2O11" +mp-510450,Fe7(AsO4)6,-7.2680351016,-1.7014029943,0.0,-0.0216035452,GGA+U,P-1,A6B7C24_aP37_2_3i_a3i_12i:As-Fe-O,37.0,A6B7C24_aP37_2_3i_a3i_12i:As-Fe-O +mp-1212748,Fe3(AsO4)2,-7.13284993,-1.4173260738,0.2684866189,0.2684866189,GGA+U,C2/m,A2B3C8_mC26_12_i_ag_2ij:As-Fe-O,13.0,A2B3C8_mC26_12_i_ag_2ij:As-Fe-O +mp-19853,TbFeO3,-8.434927227,-2.8460365382,6.255590000000001e-05,6.255590000000001e-05,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Tb +mp-1079887,TbFeAsO,-7.3757694913,-1.6982208847,0.2848529261,0.2848529261,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Fe-O-Tb,8.0,ABCD_tP8_129_c_a_b_c:As-Fe-O-Tb +mp-3248,TbAsO4,-7.6943116325,-2.8476050742,0.0,-0.2766064807,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Tb,12.0,AB4C_tI24_141_a_h_b:As-O-Tb +mp-818569,Fe4As3O16,-6.87687739,-1.3549443711,0.1456647034,0.1456647034,GGA+U,P-43m,A3B4C16_cP23_215_c_e_ei:As-Fe-O,23.0,A3B4C16_cP23_215_c_e_ei:As-Fe-O +mp-1190714,Fe3(AsO8)2,-6.1813635748,-0.7587292976000001,0.4047255317,0.4047255317,GGA+U,P-1,A2B3C16_aP21_2_i_ai_8i:As-Fe-O,21.0,A2B3C16_aP21_2_i_ai_8i:As-Fe-O +mp-1181316,Fe3(AsO8)2,-6.1154361829,-0.6928019057,0.4706529236,0.4706529236,GGA+U,C2/m,A2B3C16_mC42_12_i_ag_2i3j:As-Fe-O,21.0,A2B3C16_mC42_12_i_ag_2i3j:As-Fe-O +mp-1208519,Tb(AsO)2,-5.8565699085,-1.087373842,1.1897887594,1.1897887594,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Tb,20.0,A2B2C_tI40_141_h_h_c:As-O-Tb +mp-25260,FeAs2O7,-6.708211097,-1.4667031971,0.0879558239,0.0879558239,GGA+U,C2,A2BC7_mC20_5_c_a_b3c:As-Fe-O,10.0,"Invalid WP multiplicities - A2BC7_mC20_5_c_a_b6c:As-Fe-O, expected FeAs2O13 to be FeAs2O7" +mp-1042861,FeAs2O7,-6.6539866637,-1.4124787639,0.1421802571,0.1421802571,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Fe-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Fe-O +mp-1331355,Fe3(AsO4)4,-6.7296704263,-1.3734288337,0.1791583317,0.1791583317,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Fe-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Fe-O, expected Fe3(As5O29)2 to be Fe3(AsO4)4" +mp-1182534,Fe4As3O23,-5.8314757607,-0.4437664135,0.7067005436,0.7067005436,GGA+U,P1,A3B4C23_aP30_1_3a_4a_23a:As-Fe-O,30.0,A3B4C23_aP30_1_3a_4a_23a:As-Fe-O +mp-1193500,Fe4As3O23,-5.9150161483,-0.5273068012000001,0.6231601559000001,0.6231601559000001,GGA+U,P-43m,A3B4C23_cP30_215_c_e_d2ei:As-Fe-O,30.0,A3B4C23_cP30_215_c_e_d2ei:As-Fe-O +mp-756549,Fe(AsO2)2,-6.8705350196,-1.5026760389,0.0973936713,0.0973936713,GGA+U,P4_2/mbc,A2BC4_tP28_135_h_d_gh:As-Fe-O,28.0,"Invalid WP multiplicities - A2BC4_tP28_135_h_d_2g3h:As-Fe-O, expected Fe(AsO5)2 to be Fe(AsO2)2" +mp-652804,Fe4As5O13,-7.1692441598,-1.6473064274,0.0109272439,-0.0034780044,GGA+U,P1,A5B4C13_aP44_1_10a_8a_26a:As-Fe-O,44.0,A5B4C13_aP44_1_10a_8a_26a:As-Fe-O +mp-28519,Fe4As5O13,-7.1801714036,-1.6582336713,0.0,-0.0144052482,GGA+U,P-1,A5B4C13_aP44_2_5i_ab3i_13i:As-Fe-O,44.0,"Invalid WP multiplicities - A5B4C13_aP44_2_5i_ab3i_15i:As-Fe-O, expected Fe4(AsO3)5 to be Fe4As5O13" +mp-21016,FeAsO4,-7.1627529337,-1.6767705237,0.003472359,-0.0449361511,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:As-Fe-O,24.0,ABC4_mP24_14_e_e_4e:As-Fe-O +mp-19398,FeAsO4,-7.1662252928,-1.6802428828,0.0,-0.0484085102,GGA+U,Imma,ABC4_oI72_74_ef_cf_hi2j:As-Fe-O,36.0,"Invalid WP multiplicities - ABC4_oI72_74_ef_cf_hi3j:As-Fe-O, expected Fe3As3O16 to be FeAsO4" +mp-3282,Tb3Fe5O12,-8.3180027184,-2.5373292741,0.0242087288,0.0242087288,GGA+U,R-3,A5B12C3_hR240_148_abde2f_8f_2f:Fe-O-Tb,80.0,A5B12C3_hR240_148_abde2f_8f_2f:Fe-O-Tb +mp-19710,Tb3Fe5O12,-8.3242714364,-2.5435979921,0.0179400108,0.0179400108,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Tb,80.0,A5B12C3_cI160_230_ad_h_c:Fe-O-Tb +mp-504579,Ag6Mo10O33,-7.5203841884,-1.6286991967,0.0170958736,0.0170958736,GGA+U,P-1,A6B10C33_aP49_2_3i_5i_a16i:Ag-Mo-O,49.0,"Invalid WP multiplicities - A6B10C33_aP49_2_3i_5i_a18i:Ag-Mo-O, expected Ag6Mo10O37 to be Ag6Mo10O33" +mp-1205440,Ag6Mo10O33,-7.5205207563,-1.6288357647,0.0169593056,0.0169593056,GGA+U,P-1,A6B10C33_aP49_2_3i_5i_a16i:Ag-Mo-O,49.0,A6B10C33_aP49_2_3i_5i_a16i:Ag-Mo-O +mp-1100823,Zn3Mo3O8,-7.2213582807,-1.8006660771,0.0505651327,0.0505651327,GGA+U,C2/m,A3B8C3_mC56_12_ij_4i2j_ad2i:Mo-O-Zn,28.0,"Invalid WP multiplicities - A3B8C3_mC56_12_2ij_7i4j_ad4i:Mo-O-Zn, expected Zn5Mo4O15 to be Zn3Mo3O8" +mp-1100825,Zn3Mo3O8,-7.2298555786,-1.809163375,0.0420678348,0.0420678348,GGA+U,C2/m,A3B8C3_mC28_12_ce_2ij_ai:Mo-O-Zn,14.0,"Invalid WP multiplicities - A3B8C3_mC28_12_ae_4i2j_di:Mo-O-Zn, expected Zn3Mo3O16 to be Zn3Mo3O8" +mp-531343,Zn3Mo3O8,-7.000455975,-1.5797637714,0.2714674384,0.2714674384,GGA+U,R-3m,A3B8C3_hR84_166_h_2c2h_ab2c:Mo-O-Zn,56.0,"Invalid WP multiplicities - A3B8C3_hR84_166_h_7c6h_2a2b7c:Mo-O-Zn, expected Zn9Mo3O25 to be Zn3Mo3O8" +mp-1045736,Zn(MoO3)2,-7.6805249783,-1.8326165231,0.1221264491,0.1221264491,GGA+U,Pc,A2B6C_mP18_7_2a_6a_a:Mo-O-Zn,18.0,"Invalid WP multiplicities - A2B6C_mP18_7_4a_10a_a:Mo-O-Zn, expected Zn(Mo2O5)2 to be Zn(MoO3)2" +mp-1047822,ZnMo4O9,-7.9337187914,-1.5649657592,0.4244564643,0.4244564643,GGA+U,P4/n,A4B9C_tP28_85_g_a2g_c:Mo-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Mo-O-Zn +mp-1044405,ZnMo3O7,-7.6716309025,-1.4513113644,0.529115997,0.529115997,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Mo-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Mo-O-Zn, expected ZnMo5O7 to be ZnMo3O7" +mp-16882,ZnMoO4,-7.2362708603,-1.9209127661,0.0,-0.0205600619,GGA+U,P-1,AB4C_aP36_2_3i_12i_3i:Mo-O-Zn,36.0,AB4C_aP36_2_3i_12i_3i:Mo-O-Zn +mp-1095420,ZnMoO4,-7.217517035,-1.9021589408,0.0187538253,-0.0018062366,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mo-O-Zn,12.0,AB4C_mP12_13_e_2g_f:Mo-O-Zn +mp-27966,Ag2Mo2O7,-7.1450072518,-1.5101678695,0.0,-0.0115018658,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Ag-Mo-O,22.0,A2B2C7_aP22_2_2i_2i_7i:Ag-Mo-O +mp-560276,Ag2Mo2O7,-7.1440738473,-1.509234465,0.0009334045,-0.0105684612,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:Ag-Mo-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_5e_6e_25e:Ag-Mo-O, expected Ag5Mo6O25 to be Ag2Mo2O7" +mp-29325,Zn(Mo4O5)2,-8.3628225145,-1.1264103249,0.4991431596,0.4991431596,GGA+U,I4_1md,A8B10C_tI76_109_4b_5b_a:Mo-O-Zn,38.0,"Invalid WP multiplicities - A8B10C_tI76_109_4b_9b_a:Mo-O-Zn, expected Zn(Mo4O9)2 to be Zn(Mo4O5)2" +mp-1045325,Zn(Mo4O5)2,-8.4614197476,-1.225007558,0.4005459264,0.4005459264,GGA+U,I4_1/amd,A8B10C_tI76_141_2h_c2h_a:Mo-O-Zn,38.0,"Invalid WP multiplicities - A8B10C_tI76_141_2h_2c4h_a:Mo-O-Zn, expected Zn(Mo2O5)4 to be Zn(Mo4O5)2" +mp-1214906,AgMoO4,-6.8900094917,-1.3125159986,0.1197556252,0.1197556252,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Ag-Mo-O,12.0,ABC4_tI24_88_a_b_f:Ag-Mo-O +mp-1042597,Zn(MoO2)2,-7.8259776121,-1.7205778014000002,0.0914058768,0.0914058768,GGA+U,P1,A2B4C_aP14_1_4a_8a_2a:Mo-O-Zn,14.0,A2B4C_aP14_1_4a_8a_2a:Mo-O-Zn +mp-1047699,Zn(MoO2)2,-7.7076957898,-1.602295979,0.2096876992,0.2096876992,GGA+U,P1,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn +mp-1041272,Zn(MoO2)2,-7.8220499033,-1.7166500926,0.0953335856,0.0953335856,GGA+U,P1,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn +mp-1356066,Zn(MoO2)2,-4.6513662038,1.4540336069,3.2660172851,3.2660172851,GGA+U,P1,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Mo-O-Zn +mp-1324769,Zn(MoO2)2,-7.7325559664,-1.6271561557,0.1848275225,0.1848275225,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Mo-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Mo-O-Zn, expected Zn4Mo11O24 to be Zn(MoO2)2" +mp-1041065,Zn(MoO2)2,-7.8588872388,-1.7534874281,0.0584962501,0.0584962501,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Mo-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a5b_12a12b_6a:Mo-O-Zn, expected Zn3(Mo4O9)2 to be Zn(MoO2)2" +mp-1041749,Zn(MoO2)2,-7.7705147857,-1.665114975,0.1468687032,0.1468687032,GGA+U,Pbcm,A2B4C_oP28_57_e_cde_d:Mo-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Mo-O-Zn, expected Zn(MoO8)2 to be Zn(MoO2)2" +mp-1042144,Zn(MoO2)2,-7.7268490211,-1.6214492104,0.1905344679,0.1905344679,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Mo-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Mo-O-Zn +mp-1047446,Zn(MoO2)2,-7.7404214093,-1.6350215986,0.1769620796,0.1769620796,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Mo-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Mo-O-Zn +mp-1047650,Zn(MoO2)2,-7.748224605,-1.6428247943,0.1691588839,0.1691588839,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Mo-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Mo-O-Zn +mp-1041934,Zn(MoO2)2,-7.6829284279,-1.5775286171,0.2344550611,0.2344550611,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Mo-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Mo-O-Zn, expected Zn(MoO5)2 to be Zn(MoO2)2" +mp-1048906,Zn(MoO2)2,-7.7747615921,-1.6693617814,0.1426218968,0.1426218968,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Mo-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Mo-O-Zn +mp-1386665,Zn(MoO2)2,-7.8856075207,-1.78020771,0.0317759682,0.0317759682,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Mo-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_hR42_166_ad_2c3h_c:Mo-O-Zn, expected ZnMo2O11 to be Zn(MoO2)2" +mp-1398746,Zn(MoO2)2,-7.8133000221,-1.7079002114,0.1040834668,0.1040834668,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Mo-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Mo-O-Zn +mp-1379617,ZnMoO3,-7.2329221275,-1.8438301567,0.0862259775,0.0862259775,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mo-O-Zn,20.0,AB3C_oP20_62_a_cd_c:Mo-O-Zn +mp-1207738,Zn4(MoO4)3,-6.9148562043,-1.8129515041,0.0967487266,0.0967487266,GGA+U,Pnma,A3B12C4_oP76_62_cd_2c5d_2cd:Mo-O-Zn,76.0,A3B12C4_oP76_62_cd_2c5d_2cd:Mo-O-Zn +mp-1215835,ZnMo3O14,-6.75573838,-1.030719719,0.4653739461,0.4653739461,GGA+U,Imm2,A3B14C_oI36_44_ac_4b5c_a:Mo-O-Zn,18.0,"Invalid WP multiplicities - A3B14C_oI36_44_ac_4b6c_a:Mo-O-Zn, expected ZnMo3O16 to be ZnMo3O14" +mp-1385679,Zn2Mo3O8,-7.6039918085,-1.8632266362,0.0881404019,0.0881404019,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Mo-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Mo-O-Zn +mp-19216,Zn2Mo3O8,-7.6041017473,-1.863336575,0.0880304631,0.0880304631,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Mo-O-Zn,26.0,A3B8C2_hP26_186_c_ab2c_2b:Mo-O-Zn +mp-29461,Zn3Mo2O9,-6.8924981029,-1.8931602849,0.0092699802,0.0092699802,GGA+U,P2_1/m,A2B9C3_mP28_11_2e_5e2f_a2e:Mo-O-Zn,28.0,A2B9C3_mP28_11_2e_5e2f_a2e:Mo-O-Zn +mp-1346849,Zn2Mo2O5,-6.8323800933,-1.3941322049,0.4133073803,0.4133073803,GGA+U,Pmc2_1,A2B5C2_oP18_26_2a_3a2b_2b:Mo-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_26_4a_6a4b_3b:Mo-O-Zn, expected Zn3(Mo2O5)2 to be Zn2Mo2O5" +mp-1042320,ZnMo2O7,-7.6185847895,-1.8607983086,0.0619598198,0.0619598198,GGA+U,P2_1,A2B7C_mP20_4_2a_7a_a:Mo-O-Zn,20.0,A2B7C_mP20_4_2a_7a_a:Mo-O-Zn +mp-1205019,Zn(MoO6)2,-6.3401073485,-0.8526867908,0.4291519614,0.4291519614,GGA+U,P2_1/c,A2B12C_mP60_14_2e_12e_e:Mo-O-Zn,60.0,A2B12C_mP60_14_2e_12e_e:Mo-O-Zn +mp-1367014,ZnMo2O5,-7.4587216656,-1.4981607423,0.4665256106,0.4665256106,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Mo-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Mo-O-Zn +mp-1043221,ZnMo2O5,-7.5520684294,-1.5915075061,0.3731788469,0.3731788469,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Mo-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Mo-O-Zn +mp-19318,Ag2MoO4,-6.4401054736,-1.2547459076,0.0010243625,0.0010243625,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Ag-Mo-O,14.0,A2BC4_cF56_227_c_b_e:Ag-Mo-O +mp-1205258,Ag2(MoO4)3,-6.8591158047,-1.1201554005,0.3506614032,0.3506614032,GGA+U,Pnma,A2B3C12_oP68_62_ac_cd_6c3d:Ag-Mo-O,68.0,A2B3C12_oP68_62_ac_cd_6c3d:Ag-Mo-O +mp-1215766,Zn2Ag2(MoO4)3,-6.9420303321,-1.6745664325,0.001293835,0.001293835,GGA+U,P1,A2B3C12D2_aP38_1_4a_6a_24a_4a:Ag-Mo-O-Zn,38.0,A2B3C12D2_aP38_1_4a_6a_24a_4a:Ag-Mo-O-Zn +mp-1207547,Zn7(MoO4)6,-7.0602709173,-1.8545240254,0.0606309523,0.0606309523,GGA+U,P-1,A6B24C7_aP37_2_3i_12i_a3i:Mo-O-Zn,37.0,A6B24C7_aP37_2_3i_12i_a3i:Mo-O-Zn +mp-1337210,Zn2Ag2O5,-4.1552557333,-0.4976954241,0.5093837578,0.5093837578,GGA,Pmc2_1,A2B5C2_oP18_26_2a_3a2b_2b:Ag-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_26_3a_5a4b_4b:Ag-O-Zn, expected Zn4(AgO3)3 to be Zn2Ag2O5" +mp-1374543,Zn3Mo2O7,-6.7781426792,-1.7700300101000002,0.1369393117,0.1369393117,GGA+U,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Mo-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Mo-O-Zn, expected Zn3Mo2O9 to be Zn3Mo2O7" +mp-1340467,Zn(Mo3O8)2,-8.0535707052,-1.7283244596,0.2351866902,0.2351866902,GGA+U,P3m1,A6B16C_hP23_156_2d_a2bc4d_a:Mo-O-Zn,23.0,"Invalid WP multiplicities - A6B16C_hP23_156_5d_a2bc7d_a:Mo-O-Zn, expected Zn(Mo3O5)5 to be Zn(Mo3O8)2" +mp-1046529,Zn(MoO2)4,-8.2213931915,-1.7432505962,0.1658498694,0.1658498694,GGA+U,P1,A4B8C_aP13_1_4a_8a_a:Mo-O-Zn,13.0,A4B8C_aP13_1_4a_8a_a:Mo-O-Zn +mp-1393933,Zn(MoO2)4,-8.2381539162,-1.7600113208,0.1490891448,0.1490891448,GGA+U,P1,A4B8C_aP13_1_4a_8a_a:Mo-O-Zn,13.0,A4B8C_aP13_1_4a_8a_a:Mo-O-Zn +mp-1044153,Zn(MoO2)4,-8.1612646685,-1.6831220731,0.2259783925,0.2259783925,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Mo-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Mo-O-Zn, expected Zn(Mo2O7)2 to be Zn(MoO2)4" +mp-1041822,Zn(AgO2)2,-4.4314773636,-0.6155330119,0.1674158622,0.1674158622,GGA,P-1,A2B4C_aP28_2_abcg2i_8i_2i:Ag-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_abcg4i_16i_2i:Ag-O-Zn, expected ZnAg3O8 to be Zn(AgO2)2" +mp-1042280,Zn(AgO2)2,-4.4493103157,-0.633365964,0.1495829101,0.1495829101,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Ag-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_3i_7i_i:Ag-O-Zn, expected ZnAg3O7 to be Zn(AgO2)2" +mp-1325390,Zn(AgO2)2,-4.4629855123,-0.6470411607000001,0.1359077135,0.1359077135,GGA,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Ag-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Ag-O-Zn, expected Zn4Ag11O24 to be Zn(AgO2)2" +mp-1353803,Zn(AgO2)2,-4.4624285767,-0.646484225,0.1364646491,0.1364646491,GGA,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Ag-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Ag-O-Zn, expected Zn(AgO2)3 to be Zn(AgO2)2" +mp-1047547,Zn(AgO2)2,-4.4934095446,-0.6774651930000001,0.1054836811,0.1054836811,GGA,Pbcm,A2B4C_oP28_57_e_cde_d:Ag-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Ag-O-Zn, expected Zn(AgO8)2 to be Zn(AgO2)2" +mp-1340218,Zn(AgO2)2,-4.3788180704,-0.5628737187,0.2200751554,0.2200751554,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ag-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Ag-O-Zn +mp-1047348,Zn(AgO2)2,-4.4315141429,-0.6155697912,0.1673790829,0.1673790829,GGA,Cmcm,A2B4C_oC28_63_f_acf_c:Ag-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Ag-O-Zn +mp-754444,Zn(AgO2)2,-4.5097409857,-0.693796634,0.0891522401,0.0891522401,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ag-O-Zn,14.0,A2B4C_oF56_70_e_h_a:Ag-O-Zn +mp-1041603,Zn(AgO2)2,-4.46344229,-0.6474979383,0.1354509358,0.1354509358,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Ag-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Ag-O-Zn, expected Zn(AgO5)2 to be Zn(AgO2)2" +mp-1047248,Zn(AgO2)2,-4.4785951143,-0.6626507626,0.1202981115,0.1202981115,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Ag-O-Zn,14.0,A2B4C_tI28_88_c_f_b:Ag-O-Zn +mp-1047016,Zn(AgO2)2,-4.53005713,-0.7141127783,0.0688360958,0.0688360958,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Ag-O-Zn,14.0,A2B4C_tI28_141_c_h_b:Ag-O-Zn +mp-1044628,Zn(AgO2)2,-4.4400587343,-0.6241143826000001,0.1588344915,0.1588344915,GGA,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Ag-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab8d_2a2b2c16d_a2b3c:Ag-O-Zn, expected Zn2(AgO2)9 to be Zn(AgO2)2" +mp-1044896,Zn(AgO2)2,-4.4519016369,-0.6359572852,0.1469915889,0.1469915889,GGA,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Ag-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Ag-O-Zn, expected Zn2Ag8O15 to be Zn(AgO2)2" +mp-1044670,Zn(AgO2)2,-4.4625175257,-0.646573174,0.1363757001,0.1363757001,GGA,R3m,A2B4C_hR42_160_ab_2a2b_2a:Ag-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Ag-O-Zn +mp-1445806,Zn(AgO2)2,-4.4276854036,-0.6117410519,0.1712078222,0.1712078222,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ag-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Ag-O-Zn +mp-728452,ZnMoO6,-6.36080745,-1.1376167016,0.303067873,0.303067873,GGA+U,P2_1,AB6C_mP32_4_2a_12a_2a:Mo-O-Zn,32.0,AB6C_mP32_4_2a_12a_2a:Mo-O-Zn +mp-1412002,Mg2Fe3O8,-7.0579931246,-1.8130597846,0.1249325396,0.1249325396,GGA+U,C2/m,A3B2C8_mC26_12_ah_i_2ij:Fe-Mg-O,13.0,A3B2C8_mC26_12_ah_i_2ij:Fe-Mg-O +mp-1042732,Mg2Fe3O8,-7.0664652488,-1.8215319088,0.1164604153,0.1164604153,GGA+U,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Fe-Mg-O,26.0,"Invalid WP multiplicities - A3B2C8_hP26_186_c_2b_a2b3c:Fe-Mg-O, expected Mg2(FeO4)3 to be Mg2Fe3O8" +mp-1176498,MgFe2O5,-7.1113788113,-1.7021580580000002,0.1428302683,0.1428302683,GGA+U,Cc,A2BC5_mC32_9_2a_a_5a:Fe-Mg-O,16.0,"Invalid WP multiplicities - A2BC5_mC32_15_f_c_2e4f:Fe-Mg-O, expected Mg(FeO5)2 to be MgFe2O5" +mp-756916,MgFe2O5,-7.1090796669,-1.6998589136,0.1451294127,0.1451294127,GGA+U,C2/c,A2BC5_mC32_15_f_a_e2f:Fe-Mg-O,16.0,"Invalid WP multiplicities - A2BC5_mC32_15_f_c_2e4f:Fe-Mg-O, expected Mg(FeO5)2 to be MgFe2O5" +mp-1313760,MgFe2O5,-7.1425918094,-1.7333710561,0.1116172702,0.1116172702,GGA+U,Cmc2_1,A2BC5_oC32_36_2a_a_5a:Fe-Mg-O,16.0,"Invalid WP multiplicities - A2BC5_oC32_36_2a_a_9a:Fe-Mg-O, expected MgFe2O9 to be MgFe2O5" +mp-1393223,MgFe2O5,-7.0395303581,-1.6303096048,0.2146787214,0.2146787214,GGA+U,Pmmn,A2BC5_oP16_59_e_a_b2e:Fe-Mg-O,16.0,A2BC5_oP16_59_e_a_b2e:Fe-Mg-O +mp-756222,MgFe2O5,-7.1482139875,-1.7389932342,0.105995092,0.105995092,GGA+U,Cmcm,A2BC5_oC32_63_f_c_c2f:Fe-Mg-O,16.0,"Invalid WP multiplicities - A2BC5_oC32_63_f_c_c6f:Fe-Mg-O, expected MgFe2O13 to be MgFe2O5" +mp-1043236,MgFe2O5,-7.0363950869,-1.6271743336000002,0.2178139927,0.2178139927,GGA+U,Cmcm,A2BC5_oC32_63_f_c_c2f:Fe-Mg-O,16.0,A2BC5_oC32_63_f_c_c2f:Fe-Mg-O +mp-1044387,MgFe3O7,-7.0563528093,-1.452974204,0.2769842899,0.2769842899,GGA+U,Pnma,A3BC7_oP44_62_cd_c_c3d:Fe-Mg-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_c2d_c_c3d:Fe-Mg-O, expected MgFe5O7 to be MgFe3O7" +mp-753591,Mg3Fe3O8,-7.1715963036,-2.1869953414,0.0488604309,0.0488604309,GGA+U,R-3m,A3B3C8_hR42_166_ac_d_ch:Fe-Mg-O,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_ac_d_2c2h:Fe-Mg-O, expected Mg3Fe3O16 to be Mg3Fe3O8" +mp-1222001,MgFe3O4,-7.4999798612,-1.6503425456,0.22478418,0.22478418,GGA+U,R-3m,A3BC4_hR24_166_ac_b_2c:Fe-Mg-O,8.0,"Invalid WP multiplicities - A3BC4_hR24_166_a2c_b_3c:Fe-Mg-O, expected MgFe5O6 to be MgFe3O4" +mp-1043253,Mg(Fe2O3)2,-7.7062893923,-1.7826078325,0.0981675082,0.0981675082,GGA+U,Cmcm,A4BC6_oC44_63_2f_c_ac2f:Fe-Mg-O,22.0,"Invalid WP multiplicities - A4BC6_oC44_63_6f_c_ac2f:Fe-Mg-O, expected Mg(Fe2O)6 to be Mg(Fe2O3)2" +mp-2217299,Mg(Fe2O3)2,-7.6804239773,-1.7567424175,0.1240329232,0.1240329232,GGA+U,R-3,A4BC6_hR33_148_2c_a_f:Fe-Mg-O,11.0,"Invalid WP multiplicities - A4BC6_hR33_148_4c_a_f:Fe-Mg-O, expected Mg(Fe4O3)2 to be Mg(Fe2O3)2" +mp-2217884,Mg(Fe2O3)2,-7.6713500627,-1.747668503,0.1331068377,0.1331068377,GGA+U,R32,A4BC6_hR33_155_2c_a_de:Fe-Mg-O,11.0,"Invalid WP multiplicities - A4BC6_hR33_155_2c_a_2de:Fe-Mg-O, expected MgFe4O9 to be Mg(Fe2O3)2" +mp-1048047,MgFe4O9,-7.0646093271,-1.3502833778,0.3139437834,0.3139437834,GGA+U,P4/n,A4BC9_tP28_85_g_c_a2g:Fe-Mg-O,28.0,A4BC9_tP28_85_g_c_a2g:Fe-Mg-O +mp-1286297,Mg3Fe2O5,-7.068688674,-2.4212560614,0.004030332,0.004030332,GGA+U,P-1,A2B3C5_aP20_2_2i_bd2i_5i:Fe-Mg-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_bd3i_8i:Fe-Mg-O, expected Mg2FeO4 to be Mg3Fe2O5" +mp-753595,Mg3Fe2O5,-7.067109413,-2.4196768004,0.005609593,0.005609593,GGA+U,C2/m,A2B3C5_mC20_12_i_ai_b2i:Fe-Mg-O,20.0,A2B3C5_mC20_12_i_ai_b2i:Fe-Mg-O +mp-685444,Mg11(Fe15O28)2,-7.6128523568,-1.955962824,0.0699760141,0.0699760141,GGA+U,P1,A30B11C56_aP97_1_30a_11a_56a:Fe-Mg-O,97.0,A30B11C56_aP97_1_30a_11a_56a:Fe-Mg-O +mp-1233316,Mg(Fe2O3)4,-7.7706508186,-1.6410929964,0.159044404,0.159044404,GGA+U,P1,A8BC12_aP21_1_8a_a_12a:Fe-Mg-O,21.0,A8BC12_aP21_1_8a_a_12a:Fe-Mg-O +mp-1234465,Mg(Fe2O3)4,-7.7897577829,-1.6601999607,0.1399374398,0.1399374398,GGA+U,P1,A8BC12_aP21_1_8a_a_12a:Fe-Mg-O,21.0,A8BC12_aP21_1_8a_a_12a:Fe-Mg-O +mp-1233563,Mg(Fe2O3)4,-7.7314652167,-1.6019073945,0.198230006,0.198230006,GGA+U,P2,A8BC12_mP21_3_4e_a_abcd4e:Fe-Mg-O,21.0,"Invalid WP multiplicities - A8BC12_mP21_3_6e_a_abcd6e:Fe-Mg-O, expected Mg(Fe3O4)4 to be Mg(Fe2O3)4" +mp-2216375,Mg(Fe2O3)4,-7.7695008886,-1.6399430664,0.160194334,0.160194334,GGA+U,P2,A8BC12_mP21_3_4e_a_abcd4e:Fe-Mg-O,21.0,"Invalid WP multiplicities - A8BC12_mP21_3_6e_a_abcd6e:Fe-Mg-O, expected Mg(Fe3O4)4 to be Mg(Fe2O3)4" +mp-772056,Mg2FeO4,-6.7511788354,-2.2572736704,0.1058797872,0.1058797872,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Fe-Mg-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_3e_15e:Fe-Mg-O, expected Mg3FeO15 to be Mg2FeO4" +mp-768465,Mg2FeO4,-6.7600736936,-2.2661685286,0.096984929,0.096984929,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-Mg-O,14.0,AB2C4_cF56_227_a_d_e:Fe-Mg-O +mp-797052,Mg10FeO11,-5.4120379905,-1.826292648,1.0848490364,1.0848490364,GGA+U,P-1,AB10C11_aP22_2_b_5i_c5i:Fe-Mg-O,22.0,"Invalid WP multiplicities - AB10C11_aP22_2_b_8i_c10i:Fe-Mg-O, expected Mg16FeO21 to be Mg10FeO11" +mp-753206,Mg10FeO11,-6.4945594552,-2.9088141128,0.0023275716,0.0023275716,GGA+U,P-1,AB10C11_aP22_2_a_5i_e5i:Fe-Mg-O,88.0,AB10C11_aP22_2_a_5i_e5i:Fe-Mg-O +mp-1639590,Mg10FeO11,-6.4945393749,-2.9087940324,0.0023476519,0.0023476519,GGA+U,P-1,AB10C11_aP22_2_b_5i_d5i:Fe-Mg-O,88.0,AB10C11_aP22_2_b_5i_d5i:Fe-Mg-O +mp-1273130,Mg3FeO4,-6.7906688937,-2.6584668681,0.00260224,0.00260224,GGA+U,C2/m,AB3C4_mC16_12_a_di_2i:Fe-Mg-O,16.0,AB3C4_mC16_12_a_di_2i:Fe-Mg-O +mp-1099245,Mg3FeO4,-6.6310871362,-2.4988851106,0.1621839975,0.1621839975,GGA+U,Pm-3m,AB3C4_cP8_221_a_c_bd:Fe-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Fe-Mg-O, expected Mg3FeO7 to be Mg3FeO4" +mp-1222155,Mg3FeO4,-6.7888400288,-2.6566380031,0.004431105,0.004431105,GGA+U,R-3m,AB3C4_hR24_166_a_bc_2c:Fe-Mg-O,32.0,AB3C4_mC16_12_a_ci_2i:Fe-Mg-O +mp-773982,Mg3Fe4O7,-7.3716895571,-2.1354219879,0.0203984457,0.0203984457,GGA+U,Imm2,A4B3C7_oI28_44_2c_ac_b3c:Fe-Mg-O,14.0,"Invalid WP multiplicities - A4B3C7_oI28_44_2c_a2c_b5c:Fe-Mg-O, expected Mg5Fe4O11 to be Mg3Fe4O7" +mp-1279364,MgFeO3,-6.9986512365,-2.0165777578,0.0702209631,0.0702209631,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Fe-Mg-O,20.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Fe-Mg-O, expected MgFeO5 to be MgFeO3" +mp-752416,MgFeO3,-6.9360624455,-1.9539889667,0.1328097541,0.1328097541,GGA+U,C2/c,ABC3_mC40_15_2e_f_3f:Fe-Mg-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_9f:Fe-Mg-O, expected Mg2(FeO6)3 to be MgFeO3" +mp-1372708,MgFeO3,-6.9617070605,-1.9796335818,0.1071651391,0.1071651391,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Mg-O,20.0,ABC3_oP20_62_a_c_cd:Fe-Mg-O +mp-1303831,MgFeO3,-6.998474354,-2.0164008753,0.0703978456,0.0703978456,GGA+U,R3,ABC3_hR30_146_2a_2a_2b:Fe-Mg-O,20.0,"Invalid WP multiplicities - ABC3_hR30_146_4a_2a_4b:Fe-Mg-O, expected Mg(FeO3)2 to be MgFeO3" +mp-754508,MgFeO3,-6.997321394,-2.0152479152,0.0715508056,0.0715508056,GGA+U,R-3,ABC3_hR30_148_c_c_f:Fe-Mg-O,10.0,ABC3_hR30_148_c_c_f:Fe-Mg-O +mp-1076368,MgFeO3,-6.604848746,-1.6227752672,0.4640234536,0.4640234536,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Fe-Mg-O,5.0,ABC3_cP5_221_b_a_c:Fe-Mg-O +mp-34015,Mg10(Fe3O8)3,-7.1319359467,-2.2260401221,0.0998673904,0.0998673904,GGA+U,P1,A9B10C24_aP43_1_9a_10a_24a:Fe-Mg-O,43.0,A9B10C24_aP43_1_9a_10a_24a:Fe-Mg-O +mp-757008,Mg(Fe5O8)2,-7.8131136381,-1.6854280259,0.1263127591,0.1263127591,GGA+U,R3m,A10BC16_hR81_160_4a2b_a_4a4b:Fe-Mg-O,27.0,"Invalid WP multiplicities - A10BC16_hR81_160_4a3b_a_4a7b:Fe-Mg-O, expected MgFe13O25 to be Mg(Fe5O8)2" +mp-996994,FeAuO2,-6.5652770356,-1.1559568775,0.006997489,0.006997489,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Au-Fe-O,16.0,ABC2_hR12_166_a_b_c:Au-Fe-O +mp-1222550,Mg2Fe7O12,-7.7043307326,-1.9019034419,0.0524443019,0.0524443019,GGA+U,C2/c,A7B2C12_mC84_15_ace2f_f_6f:Fe-Mg-O,42.0,"Invalid WP multiplicities - A7B2C12_mC84_15_2a2c2e4f_f_24f:Fe-Mg-O, expected MgFe7O24 to be Mg2Fe7O12" +mp-685663,Mg(FeO2)2,-7.5347889026,-2.0594921433,0.0490659439,0.0329870346,GGA+U,P1,A2BC4_aP98_1_28a_14a_56a:Fe-Mg-O,98.0,A2BC4_aP98_1_28a_14a_56a:Fe-Mg-O +mp-531041,Mg(FeO2)2,-7.4625552241,-1.9872584649,0.1212996223,0.105220713,GGA+U,P1,A2BC4_aP70_1_20a_10a_40a:Fe-Mg-O,70.0,A2BC4_aP70_1_20a_10a_40a:Fe-Mg-O +mp-34493,Mg(FeO2)2,-7.5322081307,-2.0569113714,0.0516467157,0.0355678064,GGA+U,P1,A2BC4_aP42_1_12a_6a_24a:Fe-Mg-O,42.0,A2BC4_aP42_1_12a_6a_24a:Fe-Mg-O +mp-1386508,Mg(FeO2)2,-7.4374497036,-1.9621529443,0.1464051429,0.1303262336,GGA+U,P-1,A2BC4_aP14_2_2i_i_4i:Fe-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Fe-Mg-O, expected MgFe3O7 to be Mg(FeO2)2" +mp-34569,Mg(FeO2)2,-7.5305208248,-2.0552240655,0.0533340217,0.0372551124,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Fe-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a4b_6a_12a10b:Fe-Mg-O, expected Mg3Fe7O16 to be Mg(FeO2)2" +mp-531088,Mg(FeO2)2,-7.4521769138,-1.9768801545,0.1316779326,0.1155990233,GGA+U,Cm,A2BC4_mC168_8_12a6b_12a_24a12b:Fe-Mg-O,84.0,"Invalid WP multiplicities - A2BC4_mC168_8_12a12b_12a_24a23b:Fe-Mg-O, expected Mg6Fe18O35 to be Mg(FeO2)2" +mp-532433,Mg(FeO2)2,-7.4649848256,-1.9896880663,0.1188700209,0.1027911116,GGA+U,Cm,A2BC4_mC140_8_10a5b_10a_20a10b:Fe-Mg-O,70.0,"Invalid WP multiplicities - A2BC4_mC140_8_10a9b_10a_20a20b:Fe-Mg-O, expected Mg5(Fe7O15)2 to be Mg(FeO2)2" +mp-1388405,Mg(FeO2)2,-7.4378151607,-1.9625184014,0.1460396857,0.1299607764,GGA+U,C2/m,A2BC4_mC28_12_2i_i_4i:Fe-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Fe-Mg-O, expected MgFe3O7 to be Mg(FeO2)2" +mp-2227184,Mg(FeO2)2,-7.4893856243,-2.014088865,0.0944692221,0.0783903129,GGA+U,C2/m,A2BC4_mC14_12_i_a_2i:Fe-Mg-O,7.0,A2BC4_mC14_12_i_a_2i:Fe-Mg-O +mp-1374666,Mg(FeO2)2,-7.4347527779,-1.9594560186,0.1491020686,0.1330231593,GGA+U,Pmc2_1,A2BC4_oP28_26_2a2b_ab_4a4b:Fe-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_26_4a4b_2a2b_7a8b:Fe-Mg-O, expected Mg4Fe8O15 to be Mg(FeO2)2" +mp-630714,Mg(FeO2)2,-7.4739016625,-1.9986049032,0.1099531839,0.0938742746,GGA+U,Pbcm,A2BC4_oP28_57_e_d_cde:Fe-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_4c3d6e:Fe-Mg-O, expected MgFe2O19 to be Mg(FeO2)2" +mp-1345209,Mg(FeO2)2,-7.455398895,-1.9801021357,0.1284559514,0.1123770421,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Fe-Mg-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Fe-Mg-O +mp-1367369,Mg(FeO2)2,-7.3586468461,-1.8833500868,0.2252080004,0.2091290911,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Fe-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Fe-Mg-O +mp-1041720,Mg(FeO2)2,-7.4748333293,-1.99953657,0.1090215171,0.0929426079,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Fe-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_63_f_c_2a2c3f:Fe-Mg-O, expected Mg(FeO5)2 to be Mg(FeO2)2" +mp-33432,Mg(FeO2)2,-7.5838548464,-2.1085580871,0.0,-0.0160789093,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h3i:Fe-Mg-O, expected Mg(FeO6)2 to be Mg(FeO2)2" +mp-1045551,Mg(FeO2)2,-7.4411278107,-1.9658310514,0.1427270357,0.1266481264,GGA+U,Imma,A2BC4_oI28_74_ac_b_hi:Fe-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_4h3i:Fe-Mg-O, expected Mg(Fe2O7)2 to be Mg(FeO2)2" +mp-579284,Mg(FeO2)2,-7.5029345571,-2.0276377979,0.0809202893,0.06484138,GGA+U,P4_122,A2BC4_tP28_91_ac_b_2d:Fe-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_tP28_91_4a3c_b_8d:Fe-Mg-O, expected MgFe7O16 to be Mg(FeO2)2" +mp-1040986,Mg(FeO2)2,-7.5536075038,-2.0783107445,0.0302473426,0.0141684333,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Fe-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Fe-Mg-O, expected Mg2Fe8O15 to be Mg(FeO2)2" +mp-1049284,Mg(FeO2)2,-7.5636380917,-2.0883413324,0.0202167548,0.0041378455,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Fe-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Fe-Mg-O, expected Mg2(FeO2)9 to be Mg(FeO2)2" +mp-753198,Mg(FeO2)2,-7.5427565293,-2.06745977,0.0410983171,0.0250194079,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Fe-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Fe-Mg-O +mp-608016,Mg(FeO2)2,-7.5771666007,-2.1018698414,0.0066882457,-0.0093906636,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Mg-O +mp-531264,Mg3(Fe11O18)2,-7.6696219534,-1.6168006358,0.2290011511,0.2290011511,GGA+U,P-1,A22B3C36_aP61_2_11i_ai_18i:Fe-Mg-O,61.0,"Invalid WP multiplicities - A22B3C36_aP61_2_21i_a2i_34i:Fe-Mg-O, expected Mg5(Fe21O34)2 to be Mg3(Fe11O18)2" +mp-1076157,Mg2Fe2O5,-7.1356505578,-2.1496454382,0.1690198072,0.1690198072,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Fe-Mg-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Fe-Mg-O +mp-1337327,Mg2Fe2O5,-7.0526500811,-2.0666449615,0.2520202839,0.2520202839,GGA+U,Pbam,A2B2C5_oP18_55_g_h_agh:Fe-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Fe-Mg-O, expected MgFeO6 to be Mg2Fe2O5" +mp-1378205,Mg3Fe2O7,-6.8634110712,-2.1661024422,0.0819032084,0.0819032084,GGA+U,Cmc2_1,A2B3C7_oC48_36_b_ab_a3b:Fe-Mg-O,24.0,"Invalid WP multiplicities - A2B3C7_oC48_36_b_ab_a4b:Fe-Mg-O, expected Mg3Fe2O9 to be Mg3Fe2O7" +mp-1278619,MgFe2O3,-7.2855297667,-1.722131666,0.2839854567,0.2839854567,GGA+U,C2/m,A2BC3_mC12_12_i_a_bi:Fe-Mg-O,6.0,A2BC3_mC12_12_i_a_bi:Fe-Mg-O +mp-1275227,MgFe2O3,-7.5501386,-1.9867404994,0.0193766233,0.0193766233,GGA+U,Fmmm,A2BC3_oF24_69_g_a_bg:Fe-Mg-O,12.0,A2BC3_oF24_69_g_a_bg:Fe-Mg-O +mp-1221998,MgFe2O3,-7.5539866125,-1.9905885119,0.0155286108,0.0155286108,GGA+U,I4/mmm,A2BC3_tI12_139_e_a_be:Fe-Mg-O,12.0,A2BC3_tI12_139_e_a_be:Fe-Mg-O +mp-754288,MgFe11O18,-7.8156005693,-1.6885702306,0.0843177034,0.0843177034,GGA+U,P1,A11BC18_aP30_1_11a_a_18a:Fe-Mg-O,30.0,A11BC18_aP30_1_11a_a_18a:Fe-Mg-O +mp-2219306,Mg(FeO2)4,-7.3140006946,-1.5406257269,0.2516189082,0.2516189082,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Fe-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Fe-Mg-O +mp-2219120,Mg(FeO2)4,-7.3050479285,-1.5316729608,0.2605716743,0.2605716743,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Fe-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Fe-Mg-O +mp-2219269,Mg(FeO2)4,-7.4135260669,-1.6401510992,0.1520935359,0.1520935359,GGA+U,Pm,A4BC8_mP13_6_2a2b_a_4a4b:Fe-Mg-O,13.0,A4BC8_mP13_6_2a2b_a_4a4b:Fe-Mg-O +mp-2218957,Mg(FeO2)4,-7.3970477469,-1.6236727792,0.1685718559,0.1685718559,GGA+U,Pm,A4BC8_mP13_6_2a2b_a_4a4b:Fe-Mg-O,13.0,A4BC8_mP13_6_2a2b_a_4a4b:Fe-Mg-O +mp-1393149,Mg(FeO2)4,-7.3880154585,-1.6146404908,0.1776041443,0.1776041443,GGA+U,Cm,A4BC8_mC26_8_4a_a_8a:Fe-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Fe-Mg-O +mp-2219778,Mg(FeO2)4,-7.3286696277,-1.55529466,0.2369499751,0.2369499751,GGA+U,Imm2,A4BC8_oI26_44_abc_a_2c2d:Fe-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_oI26_44_abc_a_3c3d:Fe-Mg-O, expected Mg(FeO3)4 to be Mg(FeO2)4" +mp-1411625,Mg(FeO2)4,-7.3778265069,-1.6044515392,0.1877930959,0.1877930959,GGA+U,R-3m,A4BC8_hR39_166_bd_a_ch:Fe-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Fe-Mg-O, expected Mg(Fe2O7)2 to be Mg(FeO2)4" +mp-1045982,Mg2Fe9O13,-7.7452817767,-1.7562107668,0.0913462567,0.0913462567,GGA+U,C2/m,A9B2C13_mC48_12_a4i_i_d6i:Fe-Mg-O,24.0,A9B2C13_mC48_12_a4i_i_c6i:Fe-Mg-O +mp-2226681,MgFeAuO2,-6.012045244,-1.3645331075,0.449945226,0.449945226,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Au-Fe-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Au-Fe-Mg-O +mp-2227022,MgFeAuO2,-6.017743234,-1.3702310975,0.444247236,0.444247236,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Au-Fe-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Au-Fe-Mg-O +mp-997032,MgAuO2,-5.3732777275,-1.6813928594,0.0367176117,0.0367176117,GGA,Cmmm,ABC2_oC16_65_ab_f_gh:Au-Mg-O,8.0,"Invalid WP multiplicities - ABC2_oC16_65_ab_f_2g2h:Au-Mg-O, expected MgAuO4 to be MgAuO2" +mp-1222209,Mg4FeO5,-6.6941923417,-2.7337338451,0.0059295013,0.0059295013,GGA+U,C2/m,AB4C5_mC20_12_a_2i_c2i:Fe-Mg-O,40.0,AB4C5_mC20_12_a_2i_d2i:Fe-Mg-O +mp-1273830,Mg4FeO5,-6.6971126395,-2.7366541429,0.0030092035,0.0030092035,GGA+U,C2/m,AB4C5_mC20_12_a_2i_d2i:Fe-Mg-O,20.0,AB4C5_mC20_12_a_2i_c2i:Fe-Mg-O +mp-1222159,Mg4FeO5,-6.696896962,-2.7364384654,0.003224881,0.003224881,GGA+U,R-3m,AB4C5_hR30_166_a_2c_b2c:Fe-Mg-O,40.0,AB4C5_hR30_166_a_2c_b2c:Fe-Mg-O +mp-1222163,Mg4FeO5,-6.6950633113,-2.7346048146,0.0050585318,0.0050585318,GGA+U,Immm,AB4C5_oI20_71_a_2e_c2f:Fe-Mg-O,40.0,AB4C5_oI20_71_a_2e_c2f:Fe-Mg-O +mp-1286841,Mg4FeO5,-6.695715363,-2.7352568664,0.00440648,0.00440648,GGA+U,R-3m,AB4C5_hR30_166_a_2c_b2c:Fe-Mg-O,20.0,AB4C5_hR30_166_a_2c_b2c:Fe-Mg-O +mp-764436,Mg5Fe19O32,-7.7198518777,-1.8765332705,0.0585381804,0.0585381804,GGA+U,C2/m,A19B5C32_mC112_12_ah2i3j_bfi_4i6j:Fe-Mg-O,56.0,"Invalid WP multiplicities - A19B5C32_mC112_12_ah4i8j_be2i_8i16j:Fe-Mg-O, expected Mg7Fe43O80 to be Mg5Fe19O32" +mp-2220458,Mg(FeO2)8,-7.3260172856,-1.3857185212,0.2293905807,0.2293905807,GGA+U,P2/m,A8BC16_mP25_10_2m2n_a_4m4n:Fe-Mg-O,25.0,"Invalid WP multiplicities - A8BC16_mP25_10_4m4n_a_8m8n:Fe-Mg-O, expected Mg(FeO2)16 to be Mg(FeO2)8" +mp-1785424,MgFeO2,-7.0609472394,-2.0700275687,0.1980703481,0.1980703481,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Fe-Mg-O, expected Mg2Fe3O7 to be MgFeO2" +mp-1446179,MgFeO2,-7.0633418469,-2.0724221762,0.1956757406,0.1956757406,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Fe-Mg-O, expected Mg2Fe3O7 to be MgFeO2" +mp-1046282,MgFeO2,-7.0499230737,-2.0590034031,0.2090945138,0.2090945138,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Fe-Mg-O, expected Mg2Fe3O7 to be MgFeO2" +mp-1394938,MgFeO2,-6.38847395,-1.3975542794,0.8705436375000001,0.8705436375000001,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Fe-Mg-O, expected Mg2Fe3O7 to be MgFeO2" +mp-1410375,MgFeO2,-6.9983777062,-2.0074580356,0.2606398813,0.2606398813,GGA+U,C2/m,ABC2_mC32_12_2i_2i_4i:Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Fe-Mg-O, expected Mg2Fe3O7 to be MgFeO2" +mp-755713,Tb2SbO2,-7.688205714,-3.0299835415,0.0,-0.0313172183,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Sb-Tb,5.0,A2BC2_tI10_139_d_a_e:O-Sb-Tb +mp-861257,Tb3SbO7,-8.2043464718,-3.4171718792,0.0018440873,-0.0443165297,GGA,P-1,A7BC3_aP22_2_7i_ab_3i:O-Sb-Tb,22.0,"Invalid WP multiplicities - A7BC3_aP22_2_13i_ab_5i:O-Sb-Tb, expected Tb5SbO13 to be Tb3SbO7" +mp-755277,Tb3SbO7,-8.2061206386,-3.418946046,6.99205e-05,-0.0460906965,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Sb-Tb,22.0,"Invalid WP multiplicities - A7BC3_oC44_20_6b3c_a_a2c:O-Sb-Tb, expected Tb5SbO12 to be Tb3SbO7" +mp-768766,Tb3SbO7,-8.1837302305,-3.3965556378,0.0224603286,-0.0237002883,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Sb-Tb,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c2g2h_a_b2g:O-Sb-Tb, expected Tb5SbO13 to be Tb3SbO7" +mp-1191378,Tb3SbO7,-8.2061905591,-3.4190159665,0.0,-0.0461606169,GGA,Cmcm,A7BC3_oC44_63_3ch_a_bg:O-Sb-Tb,22.0,A7BC3_oC44_63_3ch_a_bg:O-Sb-Tb +mp-1208503,Tb3Sb5O12,-7.3574060875,-2.6619876358,0.0,-0.0513201549,GGA,I-43m,A12B5C3_cI80_217_2g_ce_d:O-Sb-Tb,40.0,A12B5C3_cI80_217_2g_ce_d:O-Sb-Tb +mp-1208460,TbSbO4,-7.6216356225,-2.863281925,0.0,-0.1083216875,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-Sb-Tb,24.0,A4BC_aP24_2_8i_2i_2i:O-Sb-Tb +mp-1236862,TbSbO4,-7.6210853579,-2.8627316604,0.0005502646,-0.1077714229,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Sb-Tb,24.0,"Invalid WP multiplicities - A4BC_mP24_14_5e_e_e:O-Sb-Tb, expected TbSbO5 to be TbSbO4" +mp-556920,Tb9(SbO)5,-7.0094589695,-2.4258934613,0.0,-0.016098947,GGA,P4/n,A5B5C9_tP38_85_cg_cg_c2g:O-Sb-Tb,38.0,"Invalid WP multiplicities - A5B5C9_tP38_85_2c3g_2c2g_2c8g:O-Sb-Tb, expected Tb17Sb5O7 to be Tb9(SbO)5" +mp-1199267,TbFeSb3,-5.6744090163,-0.5761308103,0.0121571418,0.0121571418,GGA,Pbcm,AB3C_oP40_57_e_2c2de_cd:Fe-Sb-Tb,40.0,AB3C_oP40_57_e_2c2de_cd:Fe-Sb-Tb +mp-1217709,Tb2FeSbO7,-7.8748330405,-2.7389625287,0.139589327,0.139589327,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Fe-O-Sb-Tb,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Fe-O-Sb-Tb, expected Tb2FeSbO13 to be Tb2FeSbO7" +mp-12901,Tb6FeSb2,-5.5369204422,-0.5886737433,0.0185645632,0.0185645632,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sb-Tb,9.0,AB2C6_hP9_189_a_d_fg:Fe-Sb-Tb +mp-561252,Na5Cr3F14,-5.8966224064,-3.0633281144,0.0070187793,0.0070187793,GGA+U,P2_1/c,A3B14C5_mP44_14_abc_7e_d2e:Cr-F-Na,44.0,"Invalid WP multiplicities - A3B14C5_mP44_14_2a2cd_27e_2b8e:Cr-F-Na, expected Na18Cr5F54 to be Na5Cr3F14" +mp-558383,Na2CrF4,-5.7597482593,-2.9106034126,0.0124948664,0.0124948664,GGA+U,P2_1/c,AB4C2_mP14_14_a_2e_e:Cr-F-Na,14.0,AB4C2_mP14_14_a_2e_e:Cr-F-Na +mp-560929,Na3CrF6,-5.5782029085,-3.069253193,0.0,-0.0392089612,GGA+U,P2_1/c,AB6C3_mP20_14_a_3e_de:Cr-F-Na,20.0,AB6C3_mP20_14_a_3e_be:Cr-F-Na +mp-1110571,Na3CrF6,-5.493123479,-2.9841737635000003,0.0850794295,0.0458704683,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Cr-F-Na,10.0,AB6C3_cF40_225_a_e_bc:Cr-F-Na +mp-557324,Cs2CrF6,-5.51972107,-2.9738626234,0.0,-0.0860580174,GGA+U,Fm-3m,AB2C6_cF36_225_a_c_e:Cr-Cs-F,9.0,AB2C6_cF36_225_a_c_e:Cr-Cs-F +mp-17523,NaCrF4,-6.17483975,-3.0712583111,0.0,-0.0136710737,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-F-Na,24.0,AB4C_mP24_14_e_4e_e:Cr-F-Na +mp-646192,NaCrF6,-5.3734581053,-2.5679022843,0.0,-0.0840214351,GGA+U,Pnma,AB6C_oP32_62_c_2c2d_c:Cr-F-Na,32.0,"Invalid WP multiplicities - AB6C_oP32_62_c_7c14d_c:Cr-F-Na, expected NaCrF35 to be NaCrF6" +mp-558418,NaCrF6,-5.3375163563,-2.5319605352,0.0359417491,-0.048079686,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Na,8.0,AB6C_hR24_148_a_f_b:Cr-F-Na +mp-27149,CsCrF4,-6.1308209561,-3.0984266708,0.0,-0.1230321086,GGA+U,P-62m,ABC4_hP18_189_f_g_fgj:Cr-Cs-F,18.0,ABC4_hP18_189_f_g_fgj:Cr-Cs-F +mp-557047,Cs2NaCrF6,-5.5261379255000005,-3.1026127942,0.0,-0.0821353189,GGA+U,R-3m,AB2C6D_hR60_166_ab_2c_2h_c:Cr-Cs-F-Na,20.0,AB2C6D_hR60_166_ab_2c_2h_c:Cr-Cs-F-Na +mp-614724,Cs3CrF7,-5.2893951818,-2.9512490583,0.0,-0.0012552691,GGA+U,P4/mbm,AB3C7_tP22_127_c_bg_ahk:Cr-Cs-F,22.0,"Invalid WP multiplicities - AB3C7_tP22_127_c_b2g_2a2h4k:Cr-Cs-F, expected Cs5CrF22 to be Cs3CrF7" +mp-1206497,Cs3CoF6,-4.795142318,-2.6688024464,0.0,-0.0387488134,GGA+U,Fm-3m,AB3C6_cF40_225_a_bc_e:Co-Cs-F,10.0,AB3C6_cF40_225_a_bc_e:Co-Cs-F +mp-556943,CsCoF3,-5.2526321507,-2.5050007368,0.1012645101,0.1012645101,GGA+U,R-3m,ABC3_hR45_166_ac_bc_dh:Co-Cs-F,15.0,"Invalid WP multiplicities - ABC3_hR45_166_ac_bc_3d3h:Co-Cs-F, expected CsCoF9 to be CsCoF3" +mp-561827,Cs3TlF6,-4.296758081,-2.6449856742,0.034498122,-0.004814079,GGA,I4/mmm,A3B6C_tI20_139_bd_ei_a:Cs-F-Tl,10.0,"Invalid WP multiplicities - A3B6C_tI20_139_bd_2e3i_a:Cs-F-Tl, expected Cs3TlF16 to be Cs3TlF6" +mp-1113152,Cs3TlF6,-4.331256203,-2.6794837962,0.0,-0.039312201,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Tl,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Tl +mp-998160,TlCoF3,-5.042304014,-2.0012244452,0.1964791135,0.1964791135,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-F-Tl,5.0,AB3C_cP5_221_b_c_a:Co-F-Tl +mp-1206757,Tl2CoF4,-4.8919973429,-2.1092087774,0.0225247407,0.0225247407,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Co-F-Tl,7.0,AB4C2_tI14_139_a_ce_e:Co-F-Tl +mp-1202342,CsCoF4,-5.0590219247,-2.4507492518,0.0,-0.0027535305,GGA+U,I-4c2,ABC4_tI120_120_ai_di_ef4i:Co-Cs-F,60.0,ABC4_tI120_120_ai_di_ef4i:Co-Cs-F +mp-1213164,CsTlF4,-4.3208988987,-2.5035720006,0.0016579679,-0.0815294413,GGA,Pca2_1,AB4C_oP24_29_a_4a_a:Cs-F-Tl,24.0,AB4C_oP24_29_a_4a_a:Cs-F-Tl +mp-1541564,CsTlF4,-4.3225568667,-2.5052299685,0.0,-0.0831874092,GGA,Pbcm,AB4C_oP24_57_d_cde_a:Cs-F-Tl,24.0,"Invalid WP multiplicities - AB4C_oP24_57_d_cd2e_a:Cs-F-Tl, expected CsTlF6 to be CsTlF4" +mp-573016,Cs7Co4F15,-5.1279561352,-2.6905225853,0.0,-0.0147859666,GGA+U,P2_1/c,A4B7C15_mP52_14_2e_a3e_c7e:Co-Cs-F,52.0,"Invalid WP multiplicities - A4B7C15_mP52_14_4e_2a9e_2c24e:Co-Cs-F, expected Cs10Co4F25 to be Cs7Co4F15" +mp-998235,CsTlF3,-4.251130984,-2.4526344998000003,0.064264036,0.0320380722,GGA,Amm2,AB3C_oC10_38_a_ae_b:Cs-F-Tl,5.0,AB3C_cP5_221_a_c_b:Cs-F-Tl +mp-998240,CsTlF3,-3.437686363,-1.6391898788,0.877708657,0.8454826932,GGA,Amm2,AB3C_oC10_38_a_ae_b:Cs-F-Tl,10.0,"Invalid WP multiplicities - AB3C_oC10_65_a_2b2f_c:Cs-F-Tl, expected CsTlF6 to be CsTlF3" +mp-998234,CsTlF3,-4.250573076,-2.4520765918,0.064821944,0.0325959802,GGA,R3m,AB3C_hR15_160_a_b_a:Cs-F-Tl,5.0,AB3C_hR15_160_a_b_a:Cs-F-Tl +mp-2695837,CsTlF3,-4.252012616,-2.4535161318,0.063382404,0.0311564402,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Tl,5.0,AB3C_cP5_221_a_c_b:Cs-F-Tl +mp-1078203,CsTlF3,-4.31539502,-2.5168985358,0.0,-0.0322259638,GGA,Fm-3m,AB3C_cF40_225_c_e_ab:Cs-F-Tl,10.0,AB3C_cF40_225_c_e_ab:Cs-F-Tl +mp-610706,Cs2CoF6,-4.7432271156,-2.4801164107,0.0,-0.1805319676,GGA+U,Fm-3m,AB2C6_cF36_225_a_c_e:Co-Cs-F,9.0,AB2C6_cF36_225_a_c_e:Co-Cs-F +mp-1196471,Cs4Co3F10,-5.2406915603,-2.6512002339,0.0,-0.0033947409,GGA+U,Cmce,A3B4C10_oC68_64_af_2f_e2fg:Co-Cs-F,34.0,A3B4C10_oC68_64_af_2f_e2fg:Co-Cs-F +mp-1112565,Cs2TlCoF6,-4.783522951,-2.5104590019,0.0511228894,0.0511228894,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-Tl +mp-723896,Rb3IrBr6O,-3.5881009961,-1.2203832608,0.232860433,0.232860433,GGA,Pnma,A6BCD3_oP44_62_2c2d_c_c_3c:Br-Ir-O-Rb,44.0,A6BCD3_oP44_62_2c2d_c_c_3c:Br-Ir-O-Rb +mp-975284,RbIrO3,-6.137988264,-1.2061813867,0.044315119,0.044315119,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ir-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ir-O-Rb +mp-1079118,Ir(Br3O)2,-2.5325652322,0.5840993881000001,1.0132556091,1.0132556091,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Br-Ir-O,9.0,A6BC2_cF36_225_e_a_c:Br-Ir-O +mp-1219790,Rb(IrO2)6,-7.2284035084,-1.2614875249,0.0,-0.0264653352,GGA,I4/m,A6B12C_tI76_87_hi_2h2i_e:Ir-O-Rb,38.0,"Invalid WP multiplicities - A6B12C_tI76_87_4h4i_8h9i_e:Ir-O-Rb, expected Rb(Ir6O13)4 to be Rb(IrO2)6" +mp-29895,Rb3Bi2I9,-2.9233560971,-1.2174362666,0.0,-0.0130716386,GGA,Pc,A2B9C3_mP56_7_4a_18a_6a:Bi-I-Rb,56.0,"Invalid WP multiplicities - A2B9C3_mP56_14_3e_21e_6e:Bi-I-Rb, expected Rb2BiI7 to be Rb3Bi2I9" +mp-1194786,Rb3Bi2I9,-2.9220956346,-1.2161758041,0.0012604625,-0.0118111761,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Bi-I-Rb,56.0,A2B9C3_mP56_14_2e_9e_3e:Bi-I-Rb +mp-1195034,Rb3Bi2I9,-2.9182426362,-1.2123228057,0.0051134609,-0.0079581777,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Bi-I-Rb,56.0,A2B9C3_mP56_14_2e_9e_3e:Bi-I-Rb +mp-1120726,Rb3Bi2I9,-2.9064402421,-1.2005204116,0.016915855,0.0038442164,GGA,C2/c,A2B9C3_mC56_15_f_e4f_ef:Bi-I-Rb,28.0,"Invalid WP multiplicities - A2B9C3_mC56_15_f_2e11f_2e2f:Bi-I-Rb, expected Rb3BiI12 to be Rb3Bi2I9" +mp-1110772,Rb2NaBiI6,-2.867515838,-1.2710877712,0.0502276315,0.0502276315,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-I-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-I-Na-Rb +mp-10620,LiPrO2,-7.2447069475,-3.0989054365,0.0092653348,0.0092653348,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Li-O-Pr,16.0,AB2C_mP16_14_e_2e_e:Li-O-Pr +mp-1185263,LiPaO3,-8.598911058,-3.3461803259,0.0,-0.265849313,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Li-O-Pa,5.0,AB3C_cP5_221_a_c_b:Li-O-Pa +mp-1186732,Pr3Pa,-5.6431751775,0.3211703037,0.3211703037,0.3211703037,GGA,P6_3/mmc,AB3_hP8_194_c_h:Pa-Pr,8.0,AB3_hP8_194_c_h:Pa-Pr +mp-5446,Li2PrO3,-6.36506158,-2.4585919763,0.1637906657,0.1637906657,GGA,Cmmm,A2B3C_oC12_65_h_ah_b:Li-O-Pr,6.0,A2B3C_oC12_65_h_ah_b:Li-O-Pr +mp-1185404,LiPrO3,-6.607027908,-2.3010489569,0.2350920011,0.2350920011,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Pr,5.0,AB3C_cP5_221_b_c_a:Li-O-Pr +mp-8424,Li8PrO6,-5.5300863367,-2.2145916063,0.0715746576,0.0715746576,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Pr,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_2c2f_f_a:Li-O-Pr, expected Li16PrO6 to be Li8PrO6" +mp-1219714,PrPaO4,-9.7650290917,-4.0846415483,0.0055240358,-0.4898965551,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Pr,6.0,A4BC_tP6_123_i_a_d:O-Pa-Pr +mp-1173356,PrPaO4,-9.7705531275,-4.0901655842,0.0,-0.4954205909,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Pr,12.0,A4BC_tI24_141_f_a_b:O-Pa-Pr +mp-1235433,LiPr2Pa2O8,-8.9976570362,-3.6073821603,0.1722140967,0.1722140967,GGA,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Li-O-Pa-Pr,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Li-O-Pa-Pr, expected LiPr2Pa2O16 to be LiPr2Pa2O8" +mp-1235298,LiPr2Pa2O8,-9.0697950138,-3.6795201379,0.100076119,0.100076119,GGA,Imm2,AB8C2D2_oI26_44_a_2e_ab_ab:Li-O-Pa-Pr,13.0,"Invalid WP multiplicities - AB8C2D2_oI26_44_a_6e_ab_ab:Li-O-Pa-Pr, expected LiPr2Pa2O24 to be LiPr2Pa2O8" +mp-1228529,Ba2SrTm6O12,-8.0951866286,-3.7264856567,0.0353895912,0.0353895912,GGA,P3,A2B12CD6_hP21_143_ab_4d_c_2d:Ba-O-Sr-Tm,21.0,A2B12CD6_hP21_143_ab_4d_c_2d:Ba-O-Sr-Tm +mp-1227814,BaSr2Tm6O12,-8.1275683262,-3.7697950442,0.0154395601,0.0154395601,GGA,P-6,AB12C2D6_hP21_174_a_2j2k_cf_jk:Ba-O-Sr-Tm,21.0,AB12C2D6_hP21_174_a_2j2k_cf_jk:Ba-O-Sr-Tm +mp-776575,BaTm2O4,-8.1161628933,-3.7365342317,0.0019816599,-0.0056669144,GGA,C2/c,AB4C2_mC84_15_ef_ae5f_3f:Ba-O-Tm,42.0,"Invalid WP multiplicities - AB4C2_mC84_15_e2f_c2e10f_5f:Ba-O-Tm, expected Ba5Tm10O23 to be BaTm2O4" +mp-754599,BaTm2O4,-8.1181445532,-3.7385158915,0.0,-0.0076485743,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Tm,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ba-O-Tm, expected BaTm5O13 to be BaTm2O4" +mp-752684,BaTm2O4,-8.0767079829,-3.6970793212,0.0414365704,0.0337879961,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ba-O-Tm,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_a2c2f_f:Ba-O-Tm, expected BaTm2O7 to be BaTm2O4" +mp-3446,SrTm2O4,-8.1554395529,-3.8085939607,0.0,-0.0053128896,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:O-Sr-Tm,28.0,A4BC2_oP28_62_4c_c_2c:O-Sr-Tm +mp-1183394,BaTmO3,-7.442776868,-3.1958015686,0.0724718133,0.0724718133,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Tm,5.0,AB3C_cP5_221_a_c_b:Ba-O-Tm +mp-772408,Ba4Tm6O13,-7.9068226774,-3.6095241754,0.0494928434,0.0494928434,GGA,Iba2,A4B13C6_oI92_45_2c_a6c_3c:Ba-O-Tm,46.0,"Invalid WP multiplicities - A4B13C6_oI92_45_5c_a21c_9c:Ba-O-Tm, expected Ba10Tm18O43 to be Ba4Tm6O13" +mp-1227530,BaSrTm4O8,-8.13306995,-3.7698328231,0.003722103,0.003722103,GGA,Pmc2_1,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Tm,28.0,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Tm +mp-1186758,SrTmO3,-7.323091074,-3.1220120719,0.205895363,0.205895363,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Tm,5.0,A3BC_cP5_221_c_a_b:O-Sr-Tm +mp-18042,SrTb2O4,-8.1087905386,-3.7166504674,0.0086597155,0.0086597155,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:O-Sr-Tb,28.0,A4BC2_oP28_62_4c_c_2c:O-Sr-Tb +mp-21898,SrTbO3,-7.380450356,-3.1476652186,0.1219435719,0.1219435719,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sr-Tb,20.0,A3BC_oP20_62_cd_c_a:O-Sr-Tb +mp-765543,Sr3(RhO2)16,-6.9871447867,-1.4735870408,0.0,-0.0344403628,GGA,P1,A32B16C3_aP51_1_32a_16a_3a:O-Rh-Sr,51.0,A32B16C3_aP51_1_32a_16a_3a:O-Rh-Sr +mp-766173,Sr(RhO2)2,-6.9246183318,-1.7524948977,0.0,-0.0046256202,GGA,Pmmn,A4B2C_oP28_59_2eg_ce_ab:O-Rh-Sr,28.0,"Invalid WP multiplicities - A4B2C_oP28_59_5e2g_2c2e_2ab:O-Rh-Sr, expected Sr3(Rh4O9)2 to be Sr(RhO2)2" +mp-5692,TbRhO3,-7.9449810865,-2.5772330658,0.0,-0.0361500204,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Tb,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Tb +mp-991343,Sr6(RhO3)5,-4.7613431746,-0.1013881462,2.0566523055,2.0438674519,GGA,C2,A15B5C6_mC52_5_a7c_b2c_ab2c:O-Rh-Sr,26.0,"Invalid WP multiplicities - A15B5C6_mC52_5_a13c_b2c_ab2c:O-Rh-Sr, expected Sr6Rh5O27 to be Sr6(RhO3)5" +mp-4048,Sr6(RhO3)5,-6.8175861058,-2.1576310774,0.0004093743,-0.0123754792,GGA,R32,A15B5C6_hR78_155_d2f_b2c_de:O-Rh-Sr,26.0,A15B5C6_hR78_155_d2f_b2c_de:O-Rh-Sr +mp-561047,Sr6(RhO3)5,-6.8179954801,-2.1580404517,0.0,-0.0127848536,GGA,R32,A15B5C6_hR312_155_2e9f_a2cd2f_2d2e2f:O-Rh-Sr,104.0,"Invalid WP multiplicities - A15B5C6_hR312_155_6e51f_a4c2d8f_6d6e9f:O-Rh-Sr, expected Sr10Rh7O36 to be Sr6(RhO3)5" +mp-753070,Sr3Rh2O7,-6.7495929321,-2.2142665089,0.0094003505,0.0094003505,GGA,Ccce,A7B2C3_oC48_68_aei_e_be:O-Rh-Sr,24.0,"Invalid WP multiplicities - A7B2C3_oC48_68_2a3e2i_e_2b2e:O-Rh-Sr, expected Sr3RhO8 to be Sr3Rh2O7" +mp-557481,Sr4RhO6,-6.6254275236,-2.6433898917,0.0,-0.0178953534,GGA,R-3c,A6BC4_hR66_167_f_b_ae:O-Rh-Sr,22.0,"Invalid WP multiplicities - A6BC4_hR66_167_f_b_2a3e:O-Rh-Sr, expected Sr11RhO6 to be Sr4RhO6" +mp-1218903,Sr(RhO2)4,-6.9366167754,-1.4965987274,0.0370607748,0.0370607748,GGA,C2,A8B4C_mC26_5_4c_2c_a:O-Rh-Sr,13.0,A8B4C_mC26_5_4c_2c_a:O-Rh-Sr +mp-1173258,Sr2RhO4,-6.7244851784,-2.3630495182,0.0040264748,-0.0139156604,GGA,P1,A4BC2_aP56_1_32a_8a_16a:O-Rh-Sr,56.0,"Invalid WP multiplicities - A4BC2_mC112_5_2a2b26c_8c_15c:O-Rh-Sr, expected Sr15(Rh2O7)4 to be Sr2RhO4" +mp-1173251,Sr2RhO4,-6.7235498918,-2.3621142315,0.0049617614,-0.0129803738,GGA,C2/c,A4BC2_mC56_15_2e3f_f_2f:O-Rh-Sr,28.0,"Invalid WP multiplicities - A4BC2_mC56_15_3e11f_f_3f:O-Rh-Sr, expected Sr6Rh2O25 to be Sr2RhO4" +mp-1077875,Sr2RhO4,-6.7027660657,-2.3413304055,0.0257455875,0.0078034523,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:O-Rh-Sr,7.0,A4BC2_tI14_139_ce_a_e:O-Rh-Sr +mp-757102,Sr2RhO4,-6.7285116532,-2.3670759930000003,0.0,-0.0179421352,GGA,I4_1/acd,A4BC2_tI56_142_df_a_d:O-Rh-Sr,28.0,"Invalid WP multiplicities - A4BC2_tI56_142_2d3f_a_d:O-Rh-Sr, expected Sr2RhO10 to be Sr2RhO4" +mp-1210337,Sr5(RhO3)4,-6.8032824552,-2.1716175371,0.0053562681,0.0053562681,GGA,P-3c1,A12B4C5_hP126_165_6g_abc4d_f2g:O-Rh-Sr,126.0,A12B4C5_hP126_165_6g_abc4d_f2g:O-Rh-Sr +mp-1208626,SrRhO3,-6.79585715,-2.0170836586,0.0058104137,0.0058104137,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Sr +mp-1206846,SrRhO3,-6.78409905,-2.0053255586,0.0175685137,0.0175685137,GGA,Imma,A3BC_oI20_74_eg_a_e:O-Rh-Sr,10.0,A3BC_oI20_74_eg_a_e:O-Rh-Sr +mp-1206840,SrRhO3,-6.7712679520000005,-1.9924944606,0.0303996117,0.0303996117,GGA,I4/mcm,A3BC_tI20_140_ah_c_b:O-Rh-Sr,10.0,A3BC_tI20_140_ah_c_b:O-Rh-Sr +mp-1017441,SrRhO3,-6.709019372,-1.9302458806,0.0926481917,0.0926481917,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Rh-Sr,5.0,A3BC_cP5_221_c_b_a:O-Rh-Sr +mp-18705,Sr3TbRhO6,-7.1709995409,-2.9212462139,0.0,-0.0331711907,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Tb,22.0,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Tb +mp-579058,Cs4Tc6S13,-6.2994424993,-1.1029515677,0.0,-0.1241004066,GGA,C2/c,A4B13C6_mC92_15_2f_e6f_3f:Cs-S-Tc,46.0,"Invalid WP multiplicities - A4B13C6_mC92_15_4f_2e23f_10f:Cs-S-Tc, expected Cs2Tc5S12 to be Cs4Tc6S13" +mp-1182756,Cs5Tc6S8Br7,-5.6842799881,-1.4302937275,0.0,-0.0965781398,GGA,R-3c,A7B5C8D6_hR156_167_af_ce_cf_f:Br-Cs-S-Tc,52.0,A7B5C8D6_hR156_167_af_ce_cf_f:Br-Cs-S-Tc +mp-7601,NbGaO4,-8.2111669458,-2.7251409612,0.0,-0.0089244098,GGA,C2/m,ABC4_mC24_12_i_i_4i:Ga-Nb-O,12.0,ABC4_mC24_12_i_i_4i:Ga-Nb-O +mp-18656,GdGaO3,-9.467354193,-3.0784973137,0.04892608,0.04892608,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-Gd-O,20.0,ABC3_oP20_62_a_c_cd:Ga-Gd-O +mp-1225182,Gd2NbGaO7,-10.1781456668,-3.2773759831,0.069644235,0.069644235,GGA,Imma,AB2CD7_oI44_74_a_bc_d_3ej:Ga-Gd-Nb-O,22.0,"Invalid WP multiplicities - AB2CD7_oI44_74_a_bc_d_5e2j:Ga-Gd-Nb-O, expected Gd2NbGaO13 to be Gd2NbGaO7" +mp-752432,Gd3NbO7,-11.5992603305,-3.6941246269,0.0023282159,0.0023282159,GGA,P-1,A3BC7_aP22_2_3i_ab_7i:Gd-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_aP22_2_5i_ab_13i:Gd-Nb-O, expected Gd5NbO13 to be Gd3NbO7" +mp-686043,Gd3NbO7,-11.4903355677,-3.5851998642,0.1112529786,0.1112529786,GGA,Pc,A3BC7_mP22_7_3a_a_7a:Gd-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_mP22_7_3a_a_14a:Gd-Nb-O, expected Gd3NbO14 to be Gd3NbO7" +mp-780255,Gd3NbO7,-11.5974358327,-3.6923001292,0.0041527136,0.0041527136,GGA,C222_1,A3BC7_oC44_20_ac_a_3b2c:Gd-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_20_a2c_a_6b3c:Gd-Nb-O, expected Gd5NbO12 to be Gd3NbO7" +mp-771816,Gd3NbO7,-11.5909493261,-3.6858136226,0.0106392202,0.0106392202,GGA,Pnma,A3BC7_oP44_62_cd_c_c3d:Gd-Nb-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_3c2d_c_4c9d:Gd-Nb-O, expected Gd7NbO22 to be Gd3NbO7" +mp-781897,Gd3NbO7,-11.5783511741,-3.6732154706,0.0232373723,0.0232373723,GGA,Cmcm,A3BC7_oC44_63_ag_b_cgh:Gd-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_63_a2g_b_c2g2h:Gd-Nb-O, expected Gd5NbO13 to be Gd3NbO7" +mp-1191890,Gd3NbO7,-11.5940428777,-3.6889071742,0.0075456686,0.0075456686,GGA,Cmcm,A3BC7_oC44_63_ag_b_3ch:Gd-Nb-O,22.0,A3BC7_oC44_63_ag_b_3ch:Gd-Nb-O +mp-1100705,Gd3NbO7,-11.3473464473,-3.4422107438,0.2542420991,0.2542420991,GGA,Cmme,A3BC7_oC44_67_cn_a_gno:Gd-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_67_cn_a_2g3n4o:Gd-Nb-O, expected Gd3NbO24 to be Gd3NbO7" +mp-19721,GdNbO4,-10.8573812592,-3.5300175717,0.0,-0.0921748335,GGA,C2/c,ABC4_mC24_15_e_e_2f:Gd-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Gd-Nb-O +mp-3594,Gd3GaO6,-11.008743098,-3.5150835970000003,0.0,-0.0039411792,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Ga-Gd-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Ga-Gd-O +mp-1178283,Gd4Ga2O9,-10.4976647015,-3.3722727411,0.0135907882,0.0135907882,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Ga-Gd-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_3e_13e_35e:Ga-Gd-O, expected Gd13Ga3O35 to be Gd4Ga2O9" +mp-2921,Gd3Ga5O12,-8.7700488605,-2.9335932921000003,0.0,-0.041171471,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Ga-Gd-O,80.0,A5B3C12_cI160_230_ad_c_h:Ga-Gd-O +mp-1205851,DyMn2SiC,-8.016103169,-0.4991429797,0.0,-0.0569643107,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Dy-Mn-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Dy-Mn-Si +mp-1213428,Dy2Mn17C3,-8.8489146668,-0.0919223885,0.0140518661,0.0140518661,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Dy-Mn,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Dy-Mn +mp-1192695,Mn5SiC,-8.8177405611,-0.1800177064,0.033458779,0.033458779,GGA,Cmc2_1,AB5C_oC56_36_2a_2a4b_b:C-Mn-Si,28.0,AB5C_oC56_36_2a_2a4b_b:C-Mn-Si +mp-18468,Mn5SiC,-8.8163750354,-0.1786521807,0.0348243047,0.0348243047,GGA,Cmcm,AB5C_oC56_63_f_2cegh_g:C-Mn-Si,28.0,"Invalid WP multiplicities - AB5C_oC56_63_f_2ceg2h_g:C-Mn-Si, expected Mn7SiC to be Mn5SiC" +mp-1222227,Mn20Si12C,-8.1377968467,-0.3325608559,0.0303869628,0.0303869628,GGA,P2/m,AB20C12_mP33_10_a_ijklmn2o_mn2o:C-Mn-Si,33.0,"Invalid WP multiplicities - AB20C12_mP33_10_a_2ij2kl2m2n6o_2m2n6o:C-Mn-Si, expected Mn44Si32C to be Mn20Si12C" +mp-1105665,Dy5Si3C,-5.97426664,-0.5810939975,0.0441998028,0.0441998028,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Dy-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Dy-Si +mp-543017,Dy12(MnC3)5,-7.8387560628,-0.3537091588,0.0,-0.0266832705,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Mn,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Mn +mp-1213205,Dy11(Mn2C3)6,-8.3090983568,-0.3399564639,0.0,-0.0654390208,GGA,I-43m,A18B11C12_cI82_217_eg_acd_g:C-Dy-Mn,41.0,A18B11C12_cI82_217_eg_acd_g:C-Dy-Mn +mp-1224868,Ho4Fe29Si5,-7.7743798768,-0.1141998579,0.1182612497,0.1182612497,GGA,P-1,A29B4C5_aP38_2_abe13i_2i_h2i:Fe-Ho-Si,38.0,"Invalid WP multiplicities - A29B4C5_aP38_2_abe25i_3i_h3i:Fe-Ho-Si, expected Ho6Fe53Si7 to be Ho4Fe29Si5" +mp-3191,Ho(FeSi)2,-7.126011816,-0.651394346,0.0,-0.074135096,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Ho-Si,5.0,A2BC2_tI10_139_d_a_e:Fe-Ho-Si +mp-1106179,Ho5Si3C,-5.9727386356,-0.5931093097,0.0397684362,0.0397684362,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Ho-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Ho-Si +mp-1224140,Ho2Fe4Si9,-6.418718724,-0.293867734,0.2343543055,0.2343543055,GGA,P-3m1,A4B2C9_hP15_164_2d_d_a2c2d:Fe-Ho-Si,15.0,A4B2C9_hP15_164_2d_d_a2c2d:Fe-Ho-Si +mp-1212296,Ho3Fe2Si3,-6.5149504712,-0.6445475812,0.0181117394,0.0181117394,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Ho-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Ho-Si +mp-1103948,Ho2FeC4,-8.0925048571,-0.2997190114,0.0,-0.0296267132,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Ho,14.0,A4BC2_oI28_72_2j_a_j:C-Fe-Ho +mp-1190608,Ho2Fe17C3,-8.3033677305,-0.083314331,0.001900139,0.001900139,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Ho,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Ho +mp-1212484,Ho2Fe17C3,-8.3041330741,-0.0840796747,0.0011347953,0.0011347953,GGA,P6_3/mmc,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Ho,44.0,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Ho +mp-1200585,Ho2Fe3Si5,-6.8312681600000005,-0.6611210080000001,0.0,-0.0583758745,GGA,P4/mnc,A3B2C5_tP40_128_dh_h_egh:Fe-Ho-Si,40.0,A3B2C5_tP40_128_dh_h_egh:Fe-Ho-Si +mp-571245,Ho2Fe14C,-8.132940196,-0.0756590094,0.0,-0.0129498938,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Ho,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_4c4e14j26k_4f4g:C-Fe-Ho, expected Ho8Fe140C to be Ho2Fe14C" +mp-1025316,Ho2Fe2Si2C,-7.2739155829,-0.6761781954,0.0,-0.0806626186,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Ho-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Ho-Si +mp-1224177,Ho2Fe17C2,-8.0031225229,0.1689017293,0.244161765,0.244161765,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Fe-Ho,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i3j_i:C-Fe-Ho, expected Ho2Fe25C2 to be Ho2Fe17C2" +mp-1224163,Ho4Fe5Si3,-6.8460061475,-0.4330315125,0.0566042271,0.0566042271,GGA,P4mm,A5B4C3_tP12_99_a2c_2a2b_a2b:Fe-Ho-Si,12.0,"Invalid WP multiplicities - A5B4C3_tP12_99_a4c_2a2b_a2b:Fe-Ho-Si, expected Ho4(Fe3Si)3 to be Ho4Fe5Si3" +mp-1212719,Fe5SiC,-8.2887346611,-0.1452932936,0.0284602321,0.0284602321,GGA,Cmc2_1,AB5C_oC56_36_2a_2a4b_b:C-Fe-Si,28.0,AB5C_oC56_36_2a_2a4b_b:C-Fe-Si +mp-1223989,Ho2FeSi4,-6.1038451243,-0.4844006857,0.1477739382,0.1477739382,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Fe-Ho-Si,7.0,AB2C4_oC14_38_a_ab_2a2b:Fe-Ho-Si +mp-1223992,Ho2FeSi4,-6.1895754557,-0.5701310171,0.0620436068,0.0620436068,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Fe-Ho-Si,7.0,AB2C4_oC14_38_a_ab_2a2b:Fe-Ho-Si +mp-1225150,Ho8Fe68C3,-8.1437085057,-0.0385602814,0.0188171301,0.0188171301,GGA,Pm,A3B68C8_mP79_6_3a_12a12b22c_4a4b:C-Fe-Ho,79.0,"Invalid WP multiplicities - A3B68C8_mP79_6_3a_12a12b44c_4a4b:C-Fe-Ho, expected Ho8Fe112C3 to be Ho8Fe68C3" +mp-1018725,HoFeSi,-6.7788660767,-0.6196167067,0.0,-0.041749559,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Ho-Si,6.0,ABC_tP6_129_a_c_c:Fe-Ho-Si +mp-1207148,HoFe2SiC,-7.752293905,-0.5170069425,0.0,-0.0436822057,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Ho-Si,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Ho-Si +mp-1224201,Ho2Fe17C,-8.1587353265,-0.0395431364,0.0247670216,0.0247670216,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Ho,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i4j_i:C-Fe-Ho, expected Ho2Fe29C to be Ho2Fe17C" +mp-1224658,Ho2Fe17C,-8.1608840725,-0.0416918824,0.0226182756,0.0226182756,GGA,Amm2,AB17C2_oC80_38_d_5c3d3e3f_2a2b:C-Fe-Ho,40.0,"Invalid WP multiplicities - AB17C2_oC80_38_d_9c6d6e10f_2a2b:C-Fe-Ho, expected Ho2Fe41C to be Ho2Fe17C" +mp-1224130,Ho(Fe5Si)2,-7.9433051777,-0.2407469446,0.0097893423,0.0097893423,GGA,Immm,A10BC2_oI26_71_efgk_a_h:Fe-Ho-Si,13.0,A10BC2_oI26_71_efgk_a_h:Fe-Ho-Si +mp-1207028,Ho2FeSi2,-6.378894702,-0.6817997,0.006685189,0.006685189,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Ho-Si,10.0,AB2C2_mC20_12_i_2i_2i:Fe-Ho-Si +mp-1207376,Ho2FeSi2,-4.78100222,0.916092782,1.604577671,1.604577671,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Fe-Ho-Si,5.0,AB2C2_tP5_123_a_g_g:Fe-Ho-Si +mp-1018052,HoFeC2,-8.1485622575,-0.2711219913,0.0,-0.0088678563,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Fe-Ho,4.0,A2BC_oC8_38_d_a_b:C-Fe-Ho +mp-1224472,Ho15Si9C,-5.7152170046,-0.6435105721000001,0.0096205664,0.0096205664,GGA,P6_3mc,AB15C9_hP50_186_a_3cd_3c:C-Ho-Si,50.0,AB15C9_hP50_186_a_3cd_3c:C-Ho-Si +mp-1224041,Ho2(Fe3Si)3,-7.5645707193,-0.3023590964,0.06305675,0.06305675,GGA,Amm2,A9B2C3_oC28_38_a2d2e_ab_ae:Fe-Ho-Si,14.0,"Invalid WP multiplicities - A9B2C3_oC28_38_a4d4e_ab_ae:Fe-Ho-Si, expected Ho2Fe17Si3 to be Ho2(Fe3Si)3" +mp-1209725,Sc(AsO)2,-6.519618577,-1.4108019095,0.8455874201,0.8455874201,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Sc,20.0,A2B2C_tI40_141_h_h_c:As-O-Sc +mp-550925,NaScAs2O7,-7.0534235591,-2.3625097239,0.0,-0.0368078401,GGA,C2,A2BC7D_mC22_5_c_a_b3c_a:As-Na-O-Sc,11.0,"Invalid WP multiplicities - A2BC7D_mC22_5_c_a_b6c_a:As-Na-O-Sc, expected NaScAs2O13 to be NaScAs2O7" +mp-7914,NaScO2,-7.583304845,-3.1962118898,0.0,-0.1756669639,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Sc,4.0,AB2C_hR12_166_a_c_b:Na-O-Sc +mp-1205265,Na2AsO8,-5.0288164691,-0.7672093162,0.4242174898,0.4242174898,GGA,P2_12_12,AB2C8_oP44_18_c_2c_ab7c:As-Na-O,44.0,AB2C8_oP44_18_c_2c_ab7c:As-Na-O +mp-27197,Na4As2O7,-5.8035806688000005,-2.0162607487,0.0,-0.0250254263,GGA,C2/c,A2B4C7_mC52_15_f_2f_e3f:As-Na-O,26.0,A2B4C7_mC52_15_f_2f_e3f:As-Na-O +mp-1180800,Na5(AsO9)2,-4.754708854,-0.5558584508000001,0.6254699180000001,0.6254699180000001,GGA,P2/c,A2B5C18_mP50_13_g_a2g_ef8g:As-Na-O,50.0,A2B5C18_mP50_13_g_a2g_ef8g:As-Na-O +mp-1201711,Na5(AsO9)2,-5.053596018,-0.8547456148,0.326582754,0.326582754,GGA,P2/c,A2B5C18_mP50_13_g_a2g_ef8g:As-Na-O,50.0,A2B5C18_mP50_13_g_a2g_ef8g:As-Na-O +mp-546125,ScAsO4,-7.8171177083,-2.6873939825,0.0,-0.1225818232,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Sc,12.0,AB4C_tI24_141_a_h_b:As-O-Sc +mp-17816,Na5AsO5,-5.155609667,-1.882410719,0.0034432516,0.0034432516,GGA,Pbcm,AB5C5_oP44_57_d_c2de_3de:As-Na-O,44.0,"Invalid WP multiplicities - AB5C5_oP44_57_d_2c2de_4de:As-Na-O, expected Na6AsO6 to be Na5AsO5" +mp-1180192,NaAsO6,-5.2862946581,-0.8285726624,0.3537454421,0.3537454421,GGA,P2_1,ABC6_mP16_4_a_a_6a:As-Na-O,16.0,ABC6_mP16_4_a_a_6a:As-Na-O +mp-725598,NaAsO6,-5.1265566269,-0.6688346311000001,0.5134834734,0.5134834734,GGA,P2_1,ABC6_mP16_4_a_a_6a:As-Na-O,16.0,ABC6_mP16_4_a_a_6a:As-Na-O +mp-1190459,NaAsO6,-5.140843425,-0.6831214293,0.4991966753,0.4991966753,GGA,P2_1,ABC6_mP16_4_a_a_6a:As-Na-O,16.0,ABC6_mP16_4_a_a_6a:As-Na-O +mp-17868,NaAsO3,-6.0560509337,-1.8917089672,0.0,-5.82422e-05,GGA,P-1,ABC3_aP30_2_3i_3i_9i:As-Na-O,30.0,"Invalid WP multiplicities - ABC3_aP30_2_3i_3i_13i:As-Na-O, expected Na3As3O13 to be NaAsO3" +mp-976133,NaAsO3,-5.751620022,-1.5872780556,0.3044309117,0.3043726695,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Na-O,5.0,ABC3_cP5_221_b_a_c:As-Na-O +mp-973156,ScAsO3,-6.919006668,-1.7526759392,1.0469960326,1.0469960326,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-O-Sc,5.0,AB3C_cP5_221_b_c_a:As-O-Sc +mp-504953,Na2As4O11,-6.2254442865,-1.7727913435,0.0061401465,0.0061401465,GGA,C2/c,A4B2C11_mC68_15_2f_f_e5f:As-Na-O,34.0,A4B2C11_mC68_15_2f_f_e5f:As-Na-O +mp-3468,NaAsO2,-5.8343139816,-1.8655587013,0.0,-0.0438636366,GGA,Pbca,ABC2_oP32_61_c_c_2c:As-Na-O,32.0,ABC2_oP32_61_c_c_2c:As-Na-O +mp-556145,NaAsO2,-5.8324081403,-1.8636528601,0.0019058413,-0.0419577953,GGA,Pbca,ABC2_oP32_61_c_c_2c:As-Na-O,32.0,"Invalid WP multiplicities - ABC2_oP32_61_c_c_11c:As-Na-O, expected NaAsO11 to be NaAsO2" +mp-1102998,Na8AsO3,-3.50251801,-0.9959024361,0.1953475732,0.1953475732,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:As-Na-O,12.0,AB8C3_cP12_221_a_g_c:As-Na-O +mp-1180233,Na(AsO3)2,-6.0733056942,-1.5932063196,0.0868956432,0.0868956432,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:As-Na-O,36.0,A2BC6_mP36_14_2e_e_6e:As-Na-O +mp-727450,Na(AsO2)2,-5.9589207416,-1.6121326061,0.1971212737,0.1971212737,GGA,C2/c,A2BC4_mC112_15_4f_2f_8f:As-Na-O,56.0,A2BC4_mC112_15_4f_2f_8f:As-Na-O +mp-756044,Na3AsO4,-5.6051204356,-2.0534392943,0.0,-0.0985264759,GGA,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:As-Na-O,16.0,"Invalid WP multiplicities - AB3C4_oP16_31_a_2a2b_4a2b:As-Na-O, expected Na6AsO8 to be Na3AsO4" +mp-1173826,Na7As11O31,-6.1899256015,-1.8255311207,0.0,-0.016336423,GGA,P1,A11B7C31_aP147_1_33a_21a_93a:As-Na-O,147.0,A11B7C31_aP147_1_33a_21a_93a:As-Na-O +mp-1105046,ScAsO5,-7.1437579,-2.0401820334,0.263298523,0.263298523,GGA,P-1,AB5C_aP14_2_i_5i_i:As-O-Sc,14.0,AB5C_aP14_2_i_5i_i:As-O-Sc +mp-1046562,Mg(Cu2O3)2,-5.5305017427,-1.1962072884,0.1010271505,0.1010271505,GGA,Cmcm,A4BC6_oC44_63_2f_c_ac2f:Cu-Mg-O,22.0,"Invalid WP multiplicities - A4BC6_oC44_63_6f_c_ac2f:Cu-Mg-O, expected Mg(Cu2O)6 to be Mg(Cu2O3)2" +mp-2226671,Mg(CuO)2,-5.345889752,-1.4074755895,0.201098252,0.201098252,GGA,P-1,A2BC2_aP5_2_bc_d_i:Cu-Mg-O,5.0,A2BC2_aP5_2_bc_d_i:Cu-Mg-O +mp-2227548,Mg(CuO)2,-5.222310074,-1.2838959115,0.32467793,0.32467793,GGA,P-1,A2BC2_aP5_2_bc_d_i:Cu-Mg-O,5.0,A2BC2_aP5_2_bc_d_i:Cu-Mg-O +mp-2225590,Mg(CuO)2,-5.127517952,-1.1891037895,0.419470052,0.419470052,GGA,C2,A2BC2_mC10_5_c_a_ab:Cu-Mg-O,5.0,A2BC2_mC10_5_c_a_ab:Cu-Mg-O +mp-2228229,Mg(CuO)2,-5.00379638,-1.0653822175,0.543191624,0.543191624,GGA,C2,A2BC2_mC10_5_c_a_ab:Cu-Mg-O,5.0,A2BC2_tP5_115_g_a_bc:Cu-Mg-O +mp-2227710,Mg(CuO)2,-5.360259536,-1.4218453735,0.186728468,0.186728468,GGA,Cm,A2BC2_mC10_8_2a_a_2a:Cu-Mg-O,5.0,A2BC2_mC10_8_2a_a_2a:Cu-Mg-O +mp-2225295,Mg(CuO)2,-4.913403094,-0.9749889315,0.6335849100000001,0.6335849100000001,GGA,P2/m,A2BC2_mP5_10_ce_a_n:Cu-Mg-O,5.0,A2BC2_mP5_10_ae_c_n:Cu-Mg-O +mp-2224453,Mg(CuO)2,-4.9197035840000005,-0.9812894215,0.6272844200000001,0.6272844200000001,GGA,Pmmm,A2BC2_oP5_47_bg_a_j:Cu-Mg-O,5.0,A2BC2_oP5_47_bg_a_j:Cu-Mg-O +mp-2228225,Mg(CuO)2,-5.005017552,-1.0666033895,0.541970452,0.541970452,GGA,P-4m2,A2BC2_tP5_115_g_a_bc:Cu-Mg-O,5.0,A2BC2_mC10_5_c_a_ab:Cu-Mg-O +mp-2227057,Mg(CuO)2,-5.128453058,-1.1900388955,0.418534946,0.418534946,GGA,I-4m2,A2BC2_tI10_119_e_a_bc:Cu-Mg-O,5.0,A2BC2_mC10_5_c_a_ab:Cu-Mg-O +mp-2225908,Mg(CuO)2,-5.294445592,-1.3560314295,0.252542412,0.252542412,GGA,P3m1,A2BC2_hP5_156_ac_b_ab:Cu-Mg-O,5.0,A2BC2_mC10_8_2a_a_2a:Cu-Mg-O +mp-1097321,MgCuPd2,-2.2523065625,1.7625060225,2.2298136942,2.2298136942,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Cu-Mg-Pd +mp-2210703,MgCuPdO2,-5.2241124580000005,-1.0695632675,0.5309164098,0.5309164098,GGA,Pmm2,ABC2D_oP5_25_a_b_2c_d:Cu-Mg-O-Pd,5.0,ABC2D_oP5_25_a_b_2c_d:Cu-Mg-O-Pd +mp-2226164,MgCuPdO2,-4.990851672,-0.8363024815000001,0.7641771958,0.7641771958,GGA,Pmmm,ABC2D_oP5_47_g_a_j_b:Cu-Mg-O-Pd,5.0,ABC2D_oP5_47_g_a_j_b:Cu-Mg-O-Pd +mp-1076527,Mg2Cu2O5,-5.6967186961,-1.6820056965,0.1628759778,0.1628759778,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cu-Mg-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cu-Mg-O +mp-1443565,Mg2Cu2O5,-5.6232427672,-1.6085297676,0.2363519067,0.2363519067,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Cu-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Cu-Mg-O, expected MgCuO6 to be Mg2Cu2O5" +mp-1353216,Mg(CuO2)2,-5.6510987852,-1.4246061802,0.0748016013,0.04361418,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Cu-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Cu-Mg-O, expected Mg4Cu11O24 to be Mg(CuO2)2" +mp-1355848,Mg(CuO2)2,-5.6467190552,-1.4202264502,0.0791813312,0.0479939099,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Cu-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Cu-Mg-O, expected Mg(CuO2)3 to be Mg(CuO2)2" +mp-1444917,Mg(CuO2)2,-5.5195329693,-1.2930403643,0.2063674171,0.1751799959,GGA,Cm,A2BC4_mC28_8_4a_2a_8a:Cu-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Cu-Mg-O, expected MgCu3O7 to be Mg(CuO2)2" +mp-1444074,Mg(CuO2)2,-5.6299654307,-1.4034728257,0.0959349557,0.0647475345,GGA,C2/m,A2BC4_mC28_12_ace_i_2ij:Cu-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_ade_i_4i3j:Cu-Mg-O, expected Mg(CuO5)2 to be Mg(CuO2)2" +mp-1042297,Mg(CuO2)2,-5.53382291,-1.307330305,0.1920774764,0.1608900552,GGA,C2/m,A2BC4_mC28_12_2i_i_4i:Cu-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Cu-Mg-O, expected MgCu3O7 to be Mg(CuO2)2" +mp-1041631,Mg(CuO2)2,-5.7259003864,-1.4994077814,0.0,-0.0311874213,GGA,Pbcm,A2BC4_oP28_57_e_d_cde:Cu-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Cu-Mg-O, expected Mg(CuO8)2 to be Mg(CuO2)2" +mp-1041784,Mg(CuO2)2,-5.5824070886,-1.3559144836,0.1434932979,0.1123058766,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cu-Mg-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Cu-Mg-O +mp-1376412,Mg(CuO2)2,-5.5983379068,-1.3718453018,0.1275624796,0.0963750584,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cu-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Cu-Mg-O +mp-1047355,Mg(CuO2)2,-5.6365287057,-1.4100361007,0.0893716807,0.0581842595,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Cu-Mg-O,14.0,A2BC4_oC28_63_f_c_acf:Cu-Mg-O +mp-1041494,Mg(CuO2)2,-5.6325224907,-1.4060298857,0.0933778957,0.0621904745,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Cu-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Cu-Mg-O, expected Mg(CuO5)2 to be Mg(CuO2)2" +mp-1047277,Mg(CuO2)2,-5.6850963443,-1.4586037393,0.0408040421,0.0096166209,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Mg-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Mg-O +mp-1047145,Mg(CuO2)2,-5.7077562479,-1.4812636429,0.0181441386,-0.0130432827,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Cu-Mg-O,14.0,A2BC4_tI28_141_c_b_h:Cu-Mg-O +mp-1044657,Mg(CuO2)2,-5.6465372621,-1.4200446571,0.0793631243,0.048175703,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Cu-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Cu-Mg-O, expected Mg2(CuO2)9 to be Mg(CuO2)2" +mp-1049224,Mg(CuO2)2,-5.6512817838,-1.4247891788,0.0746186026,0.0434311814,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Cu-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Cu-Mg-O, expected Mg2Cu8O15 to be Mg(CuO2)2" +mp-1044687,Mg(CuO2)2,-5.660823215,-1.43433061,0.0650771714,0.0338897502,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Cu-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Cu-Mg-O +mp-1400865,Mg(CuO2)2,-5.6296694514,-1.4031768464,0.096230935,0.0650435137,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cu-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Cu-Mg-O +mp-27226,MgCu2O3,-5.70099364,-1.5945337194,0.0524337733,0.0524337733,GGA,Pmmn,A2BC3_oP12_59_e_a_be:Cu-Mg-O,12.0,"Invalid WP multiplicities - A2BC3_oP12_59_e_a_b2e:Cu-Mg-O, expected MgCu2O5 to be MgCu2O3" +mp-1232321,MgCu2O3,-5.5239028783,-1.4174429577,0.229524535,0.229524535,GGA,P4/mmm,A2BC3_tP6_123_e_a_bf:Cu-Mg-O,6.0,A2BC3_tP6_123_e_a_bf:Cu-Mg-O +mp-1096438,Mg2CuPd,-1.8277903125,1.2921218325,1.7306036299,1.7306036299,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Cu-Mg-Pd +mp-1045653,Mg2Cu9O13,-5.5088402067,-1.1588246493,0.1089261771,0.1089261771,GGA,C2/m,A9B2C13_mC48_12_a4i_i_d6i:Cu-Mg-O,24.0,A9B2C13_mC48_12_a4i_i_c6i:Cu-Mg-O +mp-1184073,CuPdO3,-4.919253298,-0.0954223753,0.718975019,0.718975019,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Pd,5.0,AB3C_cP5_221_b_c_a:Cu-O-Pd +mp-2228998,Mg(CuO)8,-5.3381551476,-0.9871290829,0.1519322276,0.1519322276,GGA,Pm,A8BC8_mP17_6_4a4b_a_4a4b:Cu-Mg-O,17.0,A8BC8_mP17_6_4a4b_a_4a4b:Cu-Mg-O +mp-1076317,MgCuO3,-5.2701007,-1.1621901292,0.4982033776,0.4982033776,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Mg-O,5.0,ABC3_cP5_221_b_a_c:Cu-Mg-O +mp-758194,Mg4Cu11O15,-5.6299223232,-1.4401648485,0.0660953635,0.0660953635,GGA,Pmm2,A11B4C15_oP60_25_2a5e5f_3a5d_5b5c5e5f:Cu-Mg-O,60.0,"Invalid WP multiplicities - A11B4C15_oP60_25_2a10e10f_3a5d_5b5c9e10f:Cu-Mg-O, expected Mg4(Cu7O8)3 to be Mg4Cu11O15" +mp-776258,Mg4Cu11O15,-5.6304939217,-1.440736447,0.065523765,0.065523765,GGA,Pmm2,A11B4C15_oP60_25_2a5e5f_3a5d_5b5c5e5f:Cu-Mg-O,60.0,"Invalid WP multiplicities - A11B4C15_oP60_25_2a8e10f_3a5d_5b5c10e10f:Cu-Mg-O, expected Mg4Cu19O25 to be Mg4Cu11O15" +mp-1222114,MgCu3O4,-5.6100071108,-1.3994252477,0.0716581442,0.0716581442,GGA,Pmm2,A3BC4_oP24_25_b2e2f_de_ac2e3f:Cu-Mg-O,24.0,"Invalid WP multiplicities - A3BC4_oP24_25_b4e3f_de_ac3e5f:Cu-Mg-O, expected MgCu5O6 to be MgCu3O4" +mp-753285,Mg9CuO10,-6.2051077765,-2.8066770649,0.0363023135,0.0363023135,GGA,C2/m,AB9C10_mC40_12_a_d4i_5i:Cu-Mg-O,20.0,"Invalid WP multiplicities - AB9C10_mC40_12_a_c8i_8i:Cu-Mg-O, expected Mg17CuO16 to be Mg9CuO10" +mp-1176511,Mg11Cu2O13,-6.1497459308,-2.6840364255,0.0452947646,0.0452947646,GGA,Immm,A2B11C13_oI52_71_e_a5e_c6f:Cu-Mg-O,26.0,"Invalid WP multiplicities - A2B11C13_oI52_71_e_a9e_c10f:Cu-Mg-O, expected Mg19Cu2O21 to be Mg11Cu2O13" +mp-1222160,Mg4CuO5,-6.101966903,-2.5785898604,0.053328597,0.053328597,GGA,Immm,AB4C5_oI20_71_a_2e_c2f:Cu-Mg-O,10.0,"Invalid WP multiplicities - AB4C5_oI20_71_a_3e_c3f:Cu-Mg-O, expected Mg6CuO7 to be Mg4CuO5" +mp-1222162,Mg4CuO5,-6.116083255,-2.5927062124,0.039212245,0.039212245,GGA,I4/mmm,AB4C5_tI20_139_a_2e_b2e:Cu-Mg-O,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:Cu-Mg-O, expected Mg6CuO7 to be Mg4CuO5" +mp-760490,Mg7Cu2O9,-6.0737161889,-2.5225732949,0.0624427356,0.0624427356,GGA,C2/m,A2B7C9_mC36_12_i_a3i_c4i:Cu-Mg-O,18.0,"Invalid WP multiplicities - A2B7C9_mC36_12_i_a5i_d8i:Cu-Mg-O, expected Mg11Cu2O17 to be Mg7Cu2O9" +mp-2218962,Mg(CuO2)4,-5.2385997615,-0.8100908062000001,0.3180104548,0.3180104548,GGA,I-4m2,A4BC8_tI26_119_i_a_2i:Cu-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_oF52_22_k_a_3k:Cu-Mg-O, expected Mg(CuO3)4 to be Mg(CuO2)4" +mp-2219138,Mg(CuO2)4,-5.4154196054,-0.98691065,0.141190611,0.141190611,GGA,R-3m,A4BC8_hR39_166_ad_b_ch:Cu-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_2c3h:Cu-Mg-O, expected Mg(Cu2O11)2 to be Mg(CuO2)4" +mp-2219028,Mg(CuO2)4,-5.4501369554,-1.021628,0.106473261,0.106473261,GGA,F-43m,A4BC8_cF52_216_e_a_2e:Cu-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_cF52_216_e_a_3e:Cu-Mg-O, expected Mg(CuO3)4 to be Mg(CuO2)4" +mp-996971,CuPdO2,-5.65959244,-0.8664759644000001,0.0183439012,0.0004708562,GGA,Pmmm,AB2C_oP4_47_c_i_f:Cu-O-Pd,4.0,AB2C_oP4_47_c_i_f:Cu-O-Pd +mp-997012,CuPdO2,-5.6779363412,-0.8848198656,0.0,-0.017873045,GGA,Pmna,AB2C_oP8_53_a_g_c:Cu-O-Pd,8.0,AB2C_oP8_53_a_g_c:Cu-O-Pd +mp-1099249,Mg3CuO4,-6.0926572212,-2.5068070131,0.0195809838,0.0195809838,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Cu-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Cu-Mg-O, expected Mg3CuO7 to be Mg3CuO4" +mp-2217140,MgCu2(PdO2)2,-5.3634611078,-0.925104235,0.3573044149,0.3573044149,GGA,P2,A2BC4D2_mP9_3_e_a_abcd_e:Cu-Mg-O-Pd,9.0,A2BC4D2_mP9_3_e_a_abcd_e:Cu-Mg-O-Pd +mp-2217428,MgCu2(PdO2)2,-5.2066606656,-0.7683037928,0.5141048571,0.5141048571,GGA,P2/m,A2BC4D2_mP9_10_dh_a_o_bc:Cu-Mg-O-Pd,9.0,A2BC4D2_mP9_10_ce_b_o_ah:Cu-Mg-O-Pd +mp-2224183,MgCu2(PdO2)2,-5.1984702444,-0.7601133717,0.5222952782,0.5222952782,GGA,P2/m,A2BC4D2_mP9_10_bd_a_o_ch:Cu-Mg-O-Pd,9.0,A2BC4D2_mP9_10_ae_b_o_ch:Cu-Mg-O-Pd +mp-1046283,MgCuO2,-5.6792471569,-1.7810311212,0.2177045731,0.2177045731,GGA,P1,ABC2_aP16_1_4a_4a_8a:Cu-Mg-O,16.0,ABC2_aP16_1_4a_4a_8a:Cu-Mg-O +mp-1403957,MgCuO2,-5.6570288362,-1.7588128006,0.2399228938,0.2399228938,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Cu-Mg-O, expected Mg2Cu3O7 to be MgCuO2" +mp-1045981,MgCuO2,-5.7232402094,-1.8250241737,0.1737115206,0.1737115206,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Cu-Mg-O, expected Mg2Cu3O7 to be MgCuO2" +mp-1409697,MgCuO2,-5.8128644412,-1.9146484056,0.0840872888,0.0840872888,GGA,P2_1/m,ABC2_mP16_11_2e_2e_4e:Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_3e_2e_7e:Cu-Mg-O, expected Mg2Cu3O7 to be MgCuO2" +mp-997031,MgCuO2,-5.8542774837,-1.9560614481,0.0426742462,0.0426742462,GGA,Cmme,ABC2_oC16_67_c_f_ag:Cu-Mg-O,8.0,ABC2_oC16_67_c_f_ag:Cu-Mg-O +mp-1023125,MgCuO2,-5.8173194625,-1.9191034269,0.0796322675,0.0796322675,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Cu-Mg-O,8.0,ABC2_tI16_141_a_b_e:Cu-Mg-O +mp-757254,Mg2Cu5O7,-5.6494767862,-1.4835186127,0.0629436795,0.0629436795,GGA,Pmm2,A5B2C7_oP84_25_2a7e7f_5a7d_7b7c7e7f:Cu-Mg-O,84.0,"Invalid WP multiplicities - A5B2C7_oP84_25_2a12e13f_5a7d_7b7c14e14f:Cu-Mg-O, expected Mg6Cu26O35 to be Mg2Cu5O7" +mp-758051,Mg7Cu17O24,-5.6601663656,-1.5016454738,0.0573799685,0.0573799685,GGA,Pmm2,A17B7C24_oP48_25_a2e2f2i_a2b2h_2c2d2e2f2g2i:Cu-Mg-O,48.0,"Invalid WP multiplicities - A17B7C24_oP48_25_a4e4f8i_a2b4h_2c2d4e4f4g5i:Cu-Mg-O, expected Mg11Cu49O48 to be Mg7Cu17O24" +mp-755251,Gd2HfO5,-11.7724248419,-3.9170652086,0.0507314069,0.0507314069,GGA,C2/c,A2BC5_mC32_15_f_a_e2f:Gd-Hf-O,16.0,"Invalid WP multiplicities - A2BC5_mC32_15_f_c_2e4f:Gd-Hf-O, expected Gd2HfO10 to be Gd2HfO5" +mp-768237,Gd2HfO5,-11.7817211966,-3.9263615633,0.0414350522,0.0414350522,GGA,Pnma,A2BC5_oP32_62_2c_c_5c:Gd-Hf-O,32.0,"Invalid WP multiplicities - A2BC5_oP32_62_5c_c_17c:Gd-Hf-O, expected Gd5HfO17 to be Gd2HfO5" +mp-754041,Gd2HfO5,-11.7944714313,-3.939111798,0.0286848175,0.0286848175,GGA,Cmcm,A2BC5_oC32_63_f_c_c2f:Gd-Hf-O,16.0,"Invalid WP multiplicities - A2BC5_oC32_63_f_c_c4f:Gd-Hf-O, expected Gd2HfO9 to be Gd2HfO5" +mp-1190245,Gd2Hf2O7,-11.5179375932,-4.0003518187,0.0,-0.0362762495,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Gd-Hf-O,22.0,A2B2C7_cF88_227_c_d_af:Gd-Hf-O +mp-559188,Hf(MoO4)2,-8.9656928727,-2.4909656964,0.0297453626,0.0059604023,GGA+U,C2/c,AB2C8_mC44_15_e_f_4f:Hf-Mo-O,22.0,"Invalid WP multiplicities - AB2C8_mC44_15_e_f_13f:Hf-Mo-O, expected Hf(MoO13)2 to be Hf(MoO4)2" +mp-1199810,Hf(MoO4)2,-8.7082798652,-2.2335526888,0.2871583702,0.2633734098,GGA+U,C2/c,AB2C8_mC132_15_ef_3f_12f:Hf-Mo-O,66.0,"Invalid WP multiplicities - AB2C8_mC132_15_ef_12f_48f:Hf-Mo-O, expected Hf(MoO4)8 to be Hf(MoO4)2" +mp-607824,Hf(MoO4)2,-8.5683686874,-2.0936415111,0.4270695479,0.4032845876,GGA+U,P-31c,AB2C8_hP66_163_af_i_4i:Hf-Mo-O,66.0,"Invalid WP multiplicities - AB2C8_hP66_163_2a3f_i_37i:Hf-Mo-O, expected Hf4(MoO37)3 to be Hf(MoO4)2" +mp-687090,Hf(MoO4)2,-8.9954382353,-2.5207110589,0.0,-0.0237849603,GGA+U,P-31c,AB2C8_hP66_163_bf_i_4i:Hf-Mo-O,66.0,"Invalid WP multiplicities - AB2C8_hP66_163_b2f_i_39i:Hf-Mo-O, expected Hf5(MoO39)6 to be Hf(MoO4)2" +mp-1213333,Gd2Hf2(MoO4)7,-9.3103667435,-2.5797652762,0.0,-0.0084616247,GGA+U,C2/c,A2B2C7D28_mC156_15_f_f_e3f_14f:Gd-Hf-Mo-O,78.0,A2B2C7D28_mC156_15_f_f_e3f_14f:Gd-Hf-Mo-O +mp-1212453,Hf9Mo4O3,-9.9675141978,-0.7276787076,0.467559969,0.467559969,GGA+U,P6_3/mmc,A9B4C3_hP32_194_hk_ah_g:Hf-Mo-O,32.0,A9B4C3_hP32_194_hk_ah_g:Hf-Mo-O +mp-1184157,ErCuO3,-6.906084548,-2.2046862252,0.2747095851,0.2747095851,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Er-O,5.0,ABC3_cP5_221_b_a_c:Cu-Er-O +mp-1105166,Er5(MoO6)2,-8.8174908147,-3.3495877197,0.0231488743,0.0231488743,GGA+U,C2/m,A5B2C12_mC38_12_a2i_h_2i2j:Er-Mo-O,19.0,A5B2C12_mC38_12_a2i_h_2i2j:Er-Mo-O +mp-753901,Er2CuO4,-7.8523257393,-3.1349830057,0.0330383579,0.0330383579,GGA,Cmce,AB2C4_oC28_64_a_d_ef:Cu-Er-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_64_a_d_2e3f:Cu-Er-O, expected Er2CuO10 to be Er2CuO4" +mp-16391,Er4Mo4O11,-8.8468550101,-2.7380628257,0.1959687592,0.1959687592,GGA+U,Pbam,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Er-Mo-O,76.0,"Invalid WP multiplicities - A4B4C11_oP76_55_2g2h_ghi_e2g4h5i:Er-Mo-O, expected Er4Mo4O17 to be Er4Mo4O11" +mp-31122,Er2MoO6,-8.7184922944,-3.2005789614,0.0,-0.0368070685,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Er-Mo-O,36.0,"Invalid WP multiplicities - A2BC6_mC72_15_2ef_f_9f:Er-Mo-O, expected Er2MoO9 to be Er2MoO6" +mp-1213667,ErCu(MoO4)2,-8.06365028,-2.2360056642,0.0541074465,0.0541074465,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-Er-Mo-O,96.0,ABC2D8_oP96_61_c_c_2c_8c:Cu-Er-Mo-O +mp-1213170,ErMoO5,-8.2703241975,-2.5350652723,0.0991810932,0.0991810932,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Er-Mo-O,28.0,ABC5_mP28_14_e_e_5e:Er-Mo-O +mp-21160,Er2Cu2O5,-7.3023599919,-2.6282161568,0.0454518125,0.0454518125,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Cu-Er-O,36.0,A2B2C5_oP36_33_2a_2a_5a:Cu-Er-O +mp-15186,Er(CuO2)2,-6.7431716307,-2.0927592029,0.0,-0.0761539424,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Er-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Er-O +mp-1213660,Er6MoO12,-8.5159420011,-3.3784563429,0.2733218353,0.2733218353,GGA+U,P-1,A6BC12_aP19_2_3i_a_6i:Er-Mo-O,19.0,A6BC12_aP19_2_3i_a_6i:Er-Mo-O +mp-1212977,Er2Mo4O15,-8.5593473702,-2.5251393355,0.0,-0.0531619682,GGA+U,P2_1/c,A2B4C15_mP42_14_e_2e_a7e:Er-Mo-O,42.0,A2B4C15_mP42_14_e_2e_a7e:Er-Mo-O +mp-1201859,Er6(Ga3Co)7,-4.6195578793,-0.4797180587,0.0184334387,0.0184334387,GGA,P4/mbm,A7B6C21_tP68_127_agi_hi_dghi3j:Co-Er-Ga,68.0,A7B6C21_tP68_127_agi_hi_dghi3j:Co-Er-Ga +mp-1212964,Er2Ga3Co,-4.7988213583,-0.5774807779000001,0.0,-0.0146800617,GGA,P6_3/mmc,AB2C3_hP24_194_f_bh_k:Co-Er-Ga,24.0,AB2C3_hP24_194_f_bh_k:Co-Er-Ga +mp-1225108,Er10Ga5Co,-4.6831897463,-0.4378156208,0.0350489989,0.0350489989,GGA,Fmm2,AB10C5_oF64_42_a_c2de_abc:Co-Er-Ga,16.0,"Invalid WP multiplicities - AB10C5_oF64_42_a_c4d2e_abc:Co-Er-Ga, expected Er18Ga5Co to be Er10Ga5Co" +mp-1212871,Er(GaCo)6,-5.3650024815,-0.3352946573,0.0077204709,0.0077204709,GGA,Immm,A6BC6_oI26_71_fk_a_egh:Co-Er-Ga,13.0,A6BC6_oI26_71_fk_a_egh:Co-Er-Ga +mp-1025225,ErGa5Co,-4.2977900243,-0.4668590646,0.0,-0.0174096198,GGA,P4/mmm,ABC5_tP7_123_b_a_ci:Co-Er-Ga,7.0,ABC5_tP7_123_b_a_ci:Co-Er-Ga +mp-4152,Ga2CoS4,-5.0643196257,-0.8199897246000001,0.0742292251,0.0742292251,GGA,I-4,AB2C4_tI14_82_a_bc_g:Co-Ga-S,7.0,AB2C4_tI14_82_a_bc_g:Co-Ga-S +mp-7290,Er3GaS6,-6.1765993135,-2.0216041481,0.0,-0.0056710865,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Er-Ga-S,20.0,A3BC6_oC40_36_ab_a_2a2b:Er-Ga-S +mp-985468,Er2Ga8Co,-4.1580078055,-0.479051115,0.0095521255,0.0095521255,GGA,P4/mmm,AB2C8_tP11_123_a_g_ehi:Co-Er-Ga,11.0,AB2C8_tP11_123_a_g_ehi:Co-Er-Ga +mp-1191530,Er3GaCoS7,-6.1412103192,-1.7416503762,0.0628646263,0.0628646263,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Co-Er-Ga-S,24.0,AB3CD7_hP24_173_a_c_b_b2c:Co-Er-Ga-S +mp-11433,ErGaCo,-5.4010761158000005,-0.4996985733,0.0,-0.0200612513,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Er-Ga,12.0,ABC_oP12_62_c_c_c:Co-Er-Ga +mp-1190071,Er6GaCo2,-5.2669309478,-0.3057037842,0.0,-0.0078251938,GGA,Immm,A2B6C_oI36_71_fg_lmn_ab:Co-Er-Ga,18.0,A2B6C_oI36_71_fg_lmn_ab:Co-Er-Ga +mp-862995,Er8Ga3Co,-4.8119631633,-0.4174334681,0.0,-0.0178873173,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Co-Er-Ga,24.0,AB8C3_hP24_186_b_ab2c_c:Co-Er-Ga +mp-1207017,Er2GaCo2,-5.71692587,-0.4408920235,0.0,-0.043949826,GGA,Immm,A2B2C_oI10_71_e_g_c:Co-Er-Ga,5.0,A2B2C_oI10_71_e_g_c:Co-Er-Ga +mp-866685,Er2(Ga3Co)3,-4.6035277379,-0.4811523659,0.0,-0.0262996297,GGA,Cmcm,A3B2C9_oC56_63_ae_g_cfgh:Co-Er-Ga,28.0,"Invalid WP multiplicities - A3B2C9_oC56_63_a2e_g_cfgh:Co-Er-Ga, expected Er2Ga9Co5 to be Er2(Ga3Co)3" +mp-1189735,ErGa2Co3,-5.7056243633,-0.3808136567,0.0,-0.0339644424,GGA,P6/mmm,A3BC2_hP18_191_fl_ad_k:Co-Er-Ga,18.0,A3BC2_hP18_191_fl_ad_k:Co-Er-Ga +mp-862806,Er4Ga16Co3,-4.3263292422,-0.498269895,0.0,-0.0059256486,GGA,P4/mmm,A3B4C16_tP23_123_ae_i_ghjr:Co-Er-Ga,23.0,A3B4C16_tP23_123_ae_i_ghjr:Co-Er-Ga +mp-5338,ZnSeO3,-5.4223373137,-1.5031930695,0.0,-0.0459473125,GGA,Pbca,A3BC_oP40_61_3c_c_c:O-Se-Zn,40.0,A3BC_oP40_61_3c_c_c:O-Se-Zn +mp-4682,ZnSeO3,-5.360195821,-1.4410515767,0.0621414928,0.0161941803,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Se-Zn,20.0,A3BC_oP20_62_cd_c_a:O-Se-Zn +mp-18373,ZnSe2O5,-5.4967996466,-1.3736733814,0.0,-0.0010557992,GGA,Pbcn,A5B2C_oP32_60_c2d_d_c:O-Se-Zn,32.0,A5B2C_oP32_60_c2d_d_c:O-Se-Zn +mp-769365,ZnSeO4,-5.3985453608,-1.3081437054,0.0491576417,-0.0554828142,GGA,Pmn2_1,A4BC_oP12_31_2ab_a_a:O-Se-Zn,12.0,"Invalid WP multiplicities - A4BC_oP12_31_4a2b_a_a:O-Se-Zn, expected ZnSeO8 to be ZnSeO4" +mp-778924,ZnSeO4,-5.4477030025,-1.3573013471,0.0,-0.1046404558,GGA,Pnma,A4BC_oP24_62_2cd_c_a:O-Se-Zn,24.0,"Invalid WP multiplicities - A4BC_oP24_62_6c6d_c_a:O-Se-Zn, expected ZnSeO18 to be ZnSeO4" +mp-769321,ZnSeO4,-5.3524187667,-1.2620171112,0.0952842358,-0.00935622,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-Se-Zn,24.0,"Invalid WP multiplicities - A4BC_oP24_62_6c3d_c_c:O-Se-Zn, expected ZnSeO12 to be ZnSeO4" +mp-754358,ZnSeO4,-5.4415145492,-1.3511128937,0.0061884533,-0.0984520025,GGA,Cmcm,A4BC_oC24_63_fg_c_a:O-Se-Zn,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_a:O-Se-Zn, expected ZnSeO6 to be ZnSeO4" +mp-1199125,In2Se2O7,-5.8733882627,-1.5895690451,0.0,-0.0134923567,GGA,Pccn,A2B7C2_oP88_56_cde_7e_2e:In-O-Se,88.0,A2B7C2_oP88_56_cde_7e_2e:In-O-Se +mp-30325,In2(Se2O5)3,-5.7700621748,-1.3927070881,0.0,-0.0298740126,GGA,Pc,A2B15C6_mP92_7_4a_30a_12a:In-O-Se,92.0,"Invalid WP multiplicities - A2B15C6_mP92_7_4a_32a_12a:In-O-Se, expected InSe3O8 to be In2(Se2O5)3" +mp-726839,In(SeO3)2,-5.6983661586,-1.3179618305,0.0989095199,0.0989095199,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:In-O-Se,36.0,AB6C2_mP36_14_e_6e_2e:In-O-Se +mp-1208593,ZnSeO10,-4.7440378456,-0.2254926623,0.4531580113,0.4531580113,GGA,P4_12_12,A10BC_tP48_92_5b_a_a:O-Se-Zn,48.0,A10BC_tP48_92_5b_a_a:O-Se-Zn +mp-1212349,In2(SeO4)3,-5.8063615262,-1.3739282069,0.0,-0.1314570082,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:In-O-Se,68.0,A2B12C3_mP68_14_2e_12e_3e:In-O-Se +mp-1094040,Zn2In2O5,-5.4631267339,-1.823538041,0.0826036128,0.0826036128,GGA,P6_3mc,A2B5C2_hP18_186_ab_5b_2b:In-O-Zn,18.0,A2B5C2_hP18_186_ab_5b_2b:In-O-Zn +mp-770218,ZnIn2O4,-5.66291603,-1.8700780421,0.0688082957,0.0688082957,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:In-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:In-O-Zn, expected ZnIn5O13 to be ZnIn2O4" +mp-1094025,ZnIn2O4,-5.5324852029,-1.7396472150000002,0.1992391229,0.1992391229,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:In-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:In-O-Zn +mp-756297,ZnIn2O4,-5.7021543036,-1.9093163157,0.0295700221,0.0295700221,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:In-O-Zn,14.0,A2B4C_cF56_227_c_e_b:In-O-Zn +mp-1201376,ZnIn2(SeO3)4,-5.7412142934,-1.5250552663,0.0,-0.017793386,GGA,P2_1/c,A2B12C4D_mP38_14_e_6e_2e_a:In-O-Se-Zn,38.0,A2B12C4D_mP38_14_e_6e_2e_a:In-O-Se-Zn +mp-1195169,Zn3(Se2O7)2,-5.1374030207,-0.9937592732,0.3346407057,0.3346407057,GGA,P2_1/c,A14B4C3_mP42_14_7e_2e_ae:O-Se-Zn,42.0,A14B4C3_mP42_14_7e_2e_ae:O-Se-Zn +mp-1204031,Zn3Se3O10,-5.2543153753,-1.2709496018,0.1775340717,0.1775340717,GGA,P-1,A10B3C3_aP32_2_10i_3i_be2i:O-Se-Zn,32.0,A10B3C3_aP32_2_10i_3i_be2i:O-Se-Zn +mp-1178632,ZnSeO5,-5.0494706618,-0.8367422841000001,0.3266588705,0.3266588705,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:O-Se-Zn,28.0,A5BC_mP28_14_5e_e_e:O-Se-Zn +mp-1194462,ZnSeO5,-5.0563030307,-0.843574653,0.3198265016,0.3198265016,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:O-Se-Zn,28.0,A5BC_mP28_14_5e_e_e:O-Se-Zn +mp-1207401,ZnSeO5,-5.1000073564,-0.8872789787,0.2761221759,0.2761221759,GGA,C2/c,A5BC_mC28_15_e2f_e_a:O-Se-Zn,14.0,A5BC_mC28_15_e2f_e_c:O-Se-Zn +mp-863430,Zn3In2O6,-5.3913269523,-1.849260538,0.0360435895,0.0360435895,GGA,P1,A2B6C3_aP44_1_8a_24a_12a:In-O-Zn,44.0,A2B6C3_aP44_1_8a_24a_12a:In-O-Zn +mp-682284,Zn3In2O6,-5.3904069375,-1.8483405232,0.0369636043,0.0369636043,GGA,P1,A2B6C3_aP44_1_8a_24a_12a:In-O-Zn,44.0,A2B6C3_aP44_1_8a_24a_12a:In-O-Zn +mp-1006588,Zn3In2O6,-5.3899792543,-1.84791284,0.0373912875,0.0373912875,GGA,P2_1/m,A2B6C3_mP44_11_a3e_6e3f_2e2f:In-O-Zn,44.0,"Invalid WP multiplicities - A2B6C3_mP44_11_2a6e_11e10f_3e6f:In-O-Zn, expected Zn15In8O31 to be Zn3In2O6" +mp-1215773,Zn3In2O6,-5.3550980827,-1.8130316684,0.0722724591,0.0722724591,GGA,R3m,A2B6C3_hR33_160_2a_6a_3a:In-O-Zn,11.0,A2B6C3_hR33_160_2a_6a_3a:In-O-Zn +mp-1216040,Zn4In2O7,-5.2788633485,-1.8043123578,0.06656579,0.06656579,GGA,P6_3/mmc,A2B7C4_hP26_194_ac_be2f_ef:In-O-Zn,26.0,A2B7C4_hP26_194_ac_be2f_ef:In-O-Zn +mp-1193844,Zn(SeO5)2,-4.5017514181,-0.0618703659,0.8399917950000001,0.8399917950000001,GGA,C2/c,A10B2C_mC52_15_2e4f_f_e:O-Se-Zn,26.0,A10B2C_mC52_15_2e4f_f_e:O-Se-Zn +mp-755584,CrPtO2,-8.0595278456,-1.6551382925,0.0054739334,0.0054739334,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Cr-O-Pt,16.0,AB2C_hR12_166_a_c_b:Cr-O-Pt +mp-1204672,MgCrO15,-5.2185257315,-0.1918399557,0.5815872905,0.5815872905,GGA+U,P-1,ABC15_aP34_2_i_ab_15i:Cr-Mg-O,34.0,ABC15_aP34_2_i_ab_15i:Cr-Mg-O +mp-1024044,Mg3CrO4,-6.9665943375,-2.6865140294,0.1177499337,0.1177499337,GGA+U,Pm-3m,AB3C4_cP8_221_a_c_bd:Cr-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Cr-Mg-O, expected Mg3CrO7 to be Mg3CrO4" +mp-2223528,MgCr6O16,-7.9071380265,-1.8781995809,0.04836833,0.04836833,GGA+U,P1,A6BC16_aP23_1_6a_a_16a:Cr-Mg-O,23.0,"Invalid WP multiplicities - A6BC16_mP23_6_3a3b_a_4a4b8c:Cr-Mg-O, expected MgCr6O24 to be MgCr6O16" +mp-2224867,MgCr6O16,-7.8732548483,-1.8443164026,0.0822515083,0.0822515083,GGA+U,P1,A6BC16_aP23_1_6a_a_16a:Cr-Mg-O,23.0,A6BC16_aP23_1_6a_a_16a:Cr-Mg-O +mp-2234316,MgCr6O16,-7.9251669457,-1.8962285,0.0303394109,0.0303394109,GGA+U,P2/m,A6BC16_mP23_10_cemn_b_2m2n2o:Cr-Mg-O,23.0,"Invalid WP multiplicities - A6BC16_mP23_10_bdmn_c_4m3n4o:Cr-Mg-O, expected MgCr6O30 to be MgCr6O16" +mp-1342174,MgCr2O7,-7.4077287415,-1.8544091446,0.0836731492,0.0836731492,GGA+U,P2_1,A2BC7_mP20_4_2a_a_7a:Cr-Mg-O,20.0,A2BC7_mP20_4_2a_a_7a:Cr-Mg-O +mp-1326573,Mg2Cr2O5,-7.5809954833,-2.3320956393,0.3952122411,0.3952122411,GGA+U,Pbam,A2B2C5_oP18_55_g_h_agh:Cr-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Cr-Mg-O, expected MgCrO6 to be Mg2Cr2O5" +mp-2226668,MgCrPtO2,-7.110046884,-1.6664792315,0.4438763607,0.4438763607,GGA+U,R3m,ABC2D_hR15_160_a_a_2a_a:Cr-Mg-O-Pt,5.0,ABC2D_hR15_160_a_a_2a_a:Cr-Mg-O-Pt +mp-2242022,MgCrPtO2,-7.140836796,-1.6972691435,0.4130864487,0.4130864487,GGA+U,R3m,ABC2D_hR15_160_a_a_2a_a:Cr-Mg-O-Pt,5.0,ABC2D_hR15_160_a_a_2a_a:Cr-Mg-O-Pt +mp-504578,MgCrO4,-7.3540898358,-2.180742775,0.0106344225,-0.120918928,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Cr-Mg-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Cr-Mg-O +mp-19120,MgCrO4,-7.3647242583,-2.1913771975,0.0,-0.1315533505,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Mg-O,12.0,ABC4_oC24_63_c_a_fg:Cr-Mg-O +mp-2229031,MgCr4O12,-7.5748536359,-1.7176339615,0.1556567705,0.1556567705,GGA+U,P1,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O,17.0,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O +mp-2229097,MgCr4O12,-7.6053090641,-1.7480893897,0.1252013423,0.1252013423,GGA+U,P1,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O,17.0,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O +mp-2229384,MgCr4O12,-7.56954929,-1.7123296156,0.1609611164,0.1609611164,GGA+U,P1,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O,17.0,A4BC12_aP17_1_4a_a_12a:Cr-Mg-O +mp-2228969,MgCr4O12,-7.6261953571,-1.7689756826,0.1043150494,0.1043150494,GGA+U,C2,A4BC12_mC34_5_2c_a_6c:Cr-Mg-O,17.0,"Invalid WP multiplicities - A4BC12_mC34_5_4c_a_12c:Cr-Mg-O, expected MgCr8O24 to be MgCr4O12" +mp-2229050,MgCr4O12,-7.6115276365,-1.7543079621,0.1189827699,0.1189827699,GGA+U,C2,A4BC12_mC34_5_2c_a_6c:Cr-Mg-O,17.0,"Invalid WP multiplicities - A4BC12_mC34_5_4c_a_12c:Cr-Mg-O, expected MgCr8O24 to be MgCr4O12" +mp-2228965,MgCr4O12,-7.4772493653,-1.6200296909,0.2532610411,0.2532610411,GGA+U,Pm,A4BC12_mP17_6_2a2b_a_2a2b4c:Cr-Mg-O,17.0,A4BC12_mP17_6_2a2b_a_2a2b4c:Cr-Mg-O +mp-1180584,MgCrO9,-5.7034043832,-0.6330838449,0.5622128083,0.5622128083,GGA+U,P-1,ABC9_aP22_2_i_bc_9i:Cr-Mg-O,22.0,ABC9_aP22_2_i_bc_9i:Cr-Mg-O +mp-1191392,MgCrO9,-5.3318823573,-0.261561819,0.9337348342,0.9337348342,GGA+U,P-1,ABC9_aP22_2_i_bc_9i:Cr-Mg-O,22.0,ABC9_aP22_2_i_bc_9i:Cr-Mg-O +mp-1042710,MgCr4O6,-8.5470940091,-2.193221082,0.2003117188,0.2003117188,GGA+U,Cmcm,A4BC6_oC44_63_2f_c_ac2f:Cr-Mg-O,22.0,"Invalid WP multiplicities - A4BC6_oC44_63_6f_c_ac2f:Cr-Mg-O, expected MgCr12O6 to be MgCr4O6" +mp-1372663,MgCrO2,-7.5681480063,-2.2814717706,0.2730158562,0.2730158562,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Cr-Mg-O, expected Mg2Cr3O7 to be MgCrO2" +mp-1046046,MgCrO2,-7.53364621,-2.2469699744,0.3075176525,0.3075176525,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Cr-Mg-O, expected Mg2Cr3O7 to be MgCrO2" +mp-1397370,MgCrO2,-7.7146509394,-2.4279747038,0.1265129231,0.1265129231,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_3e_2e_7e:Cr-Mg-O, expected Mg2Cr3O7 to be MgCrO2" +mp-1341998,MgCrO2,-7.5010599394,-2.2143837038,0.3401039231,0.3401039231,GGA+U,C2/m,ABC2_mC32_12_2i_2i_4i:Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_3i_2i_7i:Cr-Mg-O, expected Mg2Cr3O7 to be MgCrO2" +mp-2210713,MgCrO2,-6.8913799425,-1.6047037069,0.94978392,0.94978392,GGA+U,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Mg-O,4.0,ABC2_cF16_225_a_b_c:Cr-Mg-O +mp-1044315,MgCr3O7,-7.9471227105,-2.0211005797,0.2526673761,0.2526673761,GGA+U,Pnma,A3BC7_oP44_62_cd_c_c3d:Cr-Mg-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_c2d_c_c3d:Cr-Mg-O, expected MgCr5O7 to be MgCr3O7" +mp-2225869,MgCr2O4,-8.0340503814,-2.2207461193,0.4132096414,0.3428019271,GGA+U,Pm,A2BC4_mP7_6_ab_a_2a2b:Cr-Mg-O,7.0,A2BC4_mP7_6_ab_a_2a2b:Cr-Mg-O +mp-1331854,MgCr2O4,-8.2795818655,-2.4662776034,0.1676781573,0.097270443,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Cr-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Cr-Mg-O, expected Mg4Cr11O24 to be MgCr2O4" +mp-1356914,MgCr2O4,-8.2663464933,-2.4530422312,0.1809135295,0.1105058152,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Cr-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Cr-Mg-O, expected MgCr3O6 to be MgCr2O4" +mp-19202,MgCr2O4,-8.4472600229,-2.6339557607,0.0,-0.0704077143,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Cr-Mg-O +mp-2224714,MgCr2O4,-8.12476172,-2.3114574579,0.3224983029,0.2520905886,GGA+U,P2/m,A2BC4_mP7_10_ce_a_mn:Cr-Mg-O,7.0,A2BC4_mP7_10_ae_c_mn:Cr-Mg-O +mp-1394001,MgCr2O4,-8.2504017607,-2.4370974986,0.1968582621,0.1264505479,GGA+U,C2/m,A2BC4_mC28_12_2i_i_4i:Cr-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Cr-Mg-O, expected MgCr3O7 to be MgCr2O4" +mp-2215787,MgCr2O4,-8.0278526229,-2.2145483607,0.4194074,0.3489996857,GGA+U,Amm2,A2BC4_oC14_38_ab_a_2bd:Cr-Mg-O,7.0,A2BC4_oC14_38_ab_a_2bd:Cr-Mg-O +mp-1041502,MgCr2O4,-8.3202916482,-2.5069873861,0.1269683746,0.0565606604,GGA+U,Pbcm,A2BC4_oP28_57_e_d_cde:Cr-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Cr-Mg-O, expected MgCr2O16 to be MgCr2O4" +mp-1372620,MgCr2O4,-8.3211109861,-2.5078067239,0.1261490368,0.0557413225,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Mg-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Mg-O +mp-1048255,MgCr2O4,-8.3211466493,-2.5078423871,0.1261133736,0.0557056593,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Mg-O +mp-1047641,MgCr2O4,-8.3220003043,-2.5086960421,0.1252597186,0.0548520043,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Cr-Mg-O,14.0,A2BC4_oC28_63_f_c_acf:Cr-Mg-O +mp-39010,MgCr2O4,-8.2371822136,-2.4238779514,0.2100778093,0.139670095,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Cr-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Cr-Mg-O, expected MgCr2O10 to be MgCr2O4" +mp-2215960,MgCr2O4,-8.0636565043,-2.2503522421,0.3836035186,0.3131958043,GGA+U,P-4,A2BC4_tP7_81_g_a_h:Cr-Mg-O,7.0,A2BC4_tP7_81_g_a_h:Cr-Mg-O +mp-1041004,MgCr2O4,-8.3630163021,-2.54971204,0.0842437207,0.0138360064,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Cr-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Cr-Mg-O, expected Mg2Cr8O15 to be MgCr2O4" +mp-1049295,MgCr2O4,-8.4023704538,-2.5890661917,0.044889569,-0.0255181452,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Cr-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Cr-Mg-O, expected Mg2Cr9O18 to be MgCr2O4" +mp-1048889,MgCr2O4,-8.3250796679,-2.5117754057,0.122180355,0.0517726407,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Cr-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Cr-Mg-O +mp-2225849,MgCr2O4,-8.19323131,-2.3799270479,0.2540287129,0.1836209986,GGA+U,R-3m,A2BC4_hR21_166_c_a_2c:Cr-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_3c:Cr-Mg-O, expected MgCr2O6 to be MgCr2O4" +mp-2225390,MgCr2O4,-8.0679148786,-2.2546106164,0.3793451443,0.30893743,GGA+U,P-6m2,A2BC4_hP7_187_g_a_hi:Cr-Mg-O,7.0,A2BC4_hP7_187_g_a_hi:Cr-Mg-O +mp-2225288,MgCr2O4,-8.12192401,-2.3086197479,0.3253360129,0.2549282986,GGA+U,P-6m2,A2BC4_hP7_187_h_a_gi:Cr-Mg-O,7.0,A2BC4_hP7_187_h_a_gi:Cr-Mg-O +mp-1045889,Mg2Cr9O13,-8.5899784296,-2.1572725722,0.2011985469,0.2011985469,GGA+U,C2/m,A9B2C13_mC48_12_a4i_i_d6i:Cr-Mg-O,24.0,A9B2C13_mC48_12_a4i_i_c6i:Cr-Mg-O +mp-2225290,MgCrO3,-7.559965722,-2.3412869913,0.171648616,0.171648616,GGA+U,Pm,ABC3_mP5_6_a_b_2ab:Cr-Mg-O,5.0,ABC3_mP5_6_a_b_2ab:Cr-Mg-O +mp-1346485,MgCrO3,-7.61111737,-2.3924386393,0.120496968,0.120496968,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Mg-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Mg-O +mp-2217240,MgCr2O6,-7.5558741233,-1.9351510947,0.2086167228,0.2086167228,GGA+U,P1,A2BC6_aP9_1_2a_a_6a:Cr-Mg-O,9.0,A2BC6_aP9_1_2a_a_6a:Cr-Mg-O +mp-2223092,MgCr2O6,-7.5665908389,-1.9458678103,0.1979000072,0.1979000072,GGA+U,P1,A2BC6_aP9_1_2a_a_6a:Cr-Mg-O,9.0,A2BC6_aP9_1_2a_a_6a:Cr-Mg-O +mp-2217165,MgCr2O6,-7.5303149867,-1.9095919581,0.2341758594,0.2341758594,GGA+U,Pm,A2BC6_mP9_6_ab_a_2a2bc:Cr-Mg-O,9.0,A2BC6_mP9_6_ab_a_2a2bc:Cr-Mg-O +mp-1045724,MgCr2O6,-7.49704284,-1.8763198114,0.2674480061,0.2674480061,GGA+U,Pmn2_1,A2BC6_oP18_31_b_a_2a2b:Cr-Mg-O,18.0,"Invalid WP multiplicities - A2BC6_oP18_31_b_a_2a3b:Cr-Mg-O, expected MgCr2O8 to be MgCr2O6" +mp-1048137,MgCr2O5,-7.8078890525,-2.1029117342,0.2553133084,0.2553133084,GGA+U,Pmmn,A2BC5_oP16_59_e_a_b2e:Cr-Mg-O,16.0,A2BC5_oP16_59_e_a_b2e:Cr-Mg-O +mp-1043159,MgCr2O5,-7.8470916644,-2.1421143461,0.2161106966,0.2161106966,GGA+U,Cmcm,A2BC5_oC32_63_f_c_c2f:Cr-Mg-O,16.0,A2BC5_oC32_63_f_c_c2f:Cr-Mg-O +mp-1041374,MgCr4O9,-8.0096453718,-1.9573119196,0.2681948438,0.2681948438,GGA+U,P4/n,A4BC9_tP28_85_g_c_a2g:Cr-Mg-O,28.0,A4BC9_tP28_85_g_c_a2g:Cr-Mg-O +mp-2219274,MgCr4O8,-8.1876805654,-2.0502975177,0.3134705338,0.3134705338,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O +mp-2218986,MgCr4O8,-8.2123843692,-2.0750013215,0.28876673,0.28876673,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O +mp-2219494,MgCr4O8,-8.2427692238,-2.1053861762,0.2583818754,0.2583818754,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Cr-Mg-O +mp-2218918,MgCr4O8,-8.26109093,-2.1237078823,0.2400601692,0.2400601692,GGA+U,P2,A4BC8_mP13_3_abcd_a_4e:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mP13_3_abcd_a_6e:Cr-Mg-O, expected MgCr4O12 to be MgCr4O8" +mp-2218870,MgCr4O8,-8.3187614123,-2.1813783646,0.1823896869,0.1823896869,GGA+U,C2,A4BC8_mC26_5_2c_a_ab3c:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_5_4c_a_ab4c:Cr-Mg-O, expected MgCr8O10 to be MgCr4O8" +mp-2218996,MgCr4O8,-8.1100735023,-1.9726904546,0.3910775969,0.3910775969,GGA+U,C2,A4BC8_mC26_5_2c_a_ab3c:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_5_4c_a_ab4c:Cr-Mg-O, expected MgCr8O10 to be MgCr4O8" +mp-1389167,MgCr4O8,-8.3781370977,-2.24075405,0.1230140015,0.1230140015,GGA+U,Cm,A4BC8_mC26_8_4a_a_8a:Cr-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Cr-Mg-O +mp-2219154,MgCr4O8,-8.2791043592,-2.1417213115,0.22204674,0.22204674,GGA+U,Cm,A4BC8_mC26_8_2ab_a_4a2b:Cr-Mg-O,13.0,A4BC8_hR39_160_ab_a_2a2b:Cr-Mg-O +mp-2218860,MgCr4O8,-8.2409316331,-2.1035485854,0.2602194662,0.2602194662,GGA+U,Imm2,A4BC8_oI26_44_abc_a_2c2d:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_oI26_44_abc_a_3c3d:Cr-Mg-O, expected MgCr4O12 to be MgCr4O8" +mp-2218817,MgCr4O8,-8.3917292338,-2.2543461862,0.1094218654,0.1094218654,GGA+U,Imm2,A4BC8_oI26_44_cd_a_2c2d:Cr-Mg-O,13.0,A4BC8_oI26_44_cd_a_2c2d:Cr-Mg-O +mp-2218931,MgCr4O8,-8.3227417838,-2.1853587362,0.1784093154,0.1784093154,GGA+U,R3m,A4BC8_hR39_160_ab_a_2a2b:Cr-Mg-O,13.0,A4BC8_hR39_160_ab_a_2a2b:Cr-Mg-O +mp-1044160,MgCr4O8,-8.3729392677,-2.23555622,0.1282118315,0.1282118315,GGA+U,R-3m,A4BC8_hR39_166_bd_a_ch:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Cr-Mg-O, expected MgCr4O14 to be MgCr4O8" +mp-2218990,MgCr4O8,-8.33963678,-2.2022537323,0.1615143192,0.1615143192,GGA+U,R-3m,A4BC8_hR39_166_ad_b_ch:Cr-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_2c3h:Cr-Mg-O, expected MgCr4O22 to be MgCr4O8" +mp-1093680,MgCrPt2,-3.8935041475,1.9553943925,2.4222038069,2.4222038069,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mg-Pt,4.0,ABC2_oI8_71_a_b_e:Cr-Mg-Pt +mp-33940,Mg2PtO4,-6.3411187764,-2.1899118814,0.0,-0.0472668593,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mg-O-Pt,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Mg-O-Pt, expected Mg2PtO10 to be Mg2PtO4" +mp-1406912,Mg2Cr3O8,-7.8386443,-2.3207049,0.1089838315,0.1089838315,GGA+U,C2/m,A3B2C8_mC26_12_ah_i_2ij:Cr-Mg-O,13.0,A3B2C8_mC26_12_ah_i_2ij:Cr-Mg-O +mp-1042695,Mg2Cr3O8,-7.88868243,-2.37074303,0.0589457015,0.0589457015,GGA+U,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Cr-Mg-O,26.0,"Invalid WP multiplicities - A3B2C8_hP26_186_c_2b_a2b3c:Cr-Mg-O, expected Mg2Cr3O12 to be Mg2Cr3O8" +mp-8208,Mg(PtO2)3,-6.329759824,-1.3803785963,0.0,-0.0460456258,GGA,Cmmm,AB6C3_oC20_65_a_hp_bf:Mg-O-Pt,10.0,"Invalid WP multiplicities - AB6C3_oC20_65_a_hp_b2f:Mg-O-Pt, expected MgPt5O6 to be Mg(PtO2)3" +mp-1210584,MgPt3O4,-6.0557880412,-1.1057336844,0.2360461623,0.2360461623,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Mg-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Mg-O-Pt +mp-2227663,MgCr4O10,-7.839479414699999,-1.8608556118,0.2448247017,0.2448247017,GGA+U,Pmm2,A4BC10_oP15_25_ef_a_bc2e2f:Cr-Mg-O,15.0,"Invalid WP multiplicities - A4BC10_oP15_25_2ef_a_bc3e3f:Cr-Mg-O, expected MgCr6O14 to be MgCr4O10" +mp-30215,Pr3MoO7,-8.6857597645,-3.2480153687,0.0,-0.0036354916,GGA+U,P2_12_12_1,AB7C3_oP44_19_a_7a_3a:Mo-O-Pr,44.0,"Invalid WP multiplicities - AB7C3_oP44_19_a_10a_4a:Mo-O-Pr, expected Pr4MoO10 to be Pr3MoO7" +mp-1044744,Pr(MoO3)2,-8.67793223,-2.4387835364,0.1214389485,0.1214389485,GGA+U,P1,A2B6C_aP18_1_4a_12a_2a:Mo-O-Pr,18.0,A2B6C_aP18_1_4a_12a_2a:Mo-O-Pr +mp-1209740,Pr2MoO6,-8.6633297953,-3.0980415856,0.0,-0.0580590065,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Pr,36.0,AB6C2_mC72_15_f_6f_2ef:Mo-O-Pr +mp-555912,PrCu(MoO4)2,-8.1141171121,-2.2687069175,0.0047040773,0.0047040773,GGA+U,Pbca,AB2C8D_oP96_61_c_2c_8c_c:Cu-Mo-O-Pr,96.0,"Invalid WP multiplicities - AB2C8D_oP96_61_c_6c_54c_c:Cu-Mo-O-Pr, expected PrCu(MoO9)6 to be PrCu(MoO4)2" +mp-700127,Pr5(Mo16O27)2,-8.829325162,-1.8173853521,0.2487304023,0.2487304023,GGA+U,P2_1/c,A32B54C5_mP182_14_16e_27e_a2e:Mo-O-Pr,182.0,"Invalid WP multiplicities - A32B54C5_mP182_14_62e_106e_2a7e:Mo-O-Pr, expected Pr4Mo31O53 to be Pr5(Mo16O27)2" +mp-560897,Pr2Mo4O15,-8.5397574536,-2.4852459003,0.0110890546,0.0110890546,GGA+U,P-1,A4B15C2_aP42_2_4i_15i_2i:Mo-O-Pr,42.0,"Invalid WP multiplicities - A4B15C2_aP42_2_8i_29i_2i:Mo-O-Pr, expected Pr2Mo8O29 to be Pr2Mo4O15" +mp-16671,PrMo5O8,-8.8435677998,-1.8019488002,0.2772806653,0.2772806653,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Mo-O-Pr,56.0,A5B8C_mP56_14_5e_8e_e:Mo-O-Pr +mp-1101476,Pr(CuO2)2,-6.69075901,-2.0098913043,0.0,-0.08586824,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Pr,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Pr +mp-1209482,PrMoO5,-8.24534251,-2.479628307,0.1133468229,0.1133468229,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Mo-O-Pr,28.0,AB5C_mP28_14_e_5e_e:Mo-O-Pr +mp-1196789,Pr16(Mo3O8)7,-8.7733868597,-2.5231964058000003,0.1362426778,0.1362426778,GGA+U,P2_1/c,A21B56C16_mP186_14_a10e_28e_8e:Mo-O-Pr,186.0,A21B56C16_mP186_14_a10e_28e_8e:Mo-O-Pr +mp-13694,PrCuO2,-7.27886639,-2.5854939281,0.0,-0.0087328352,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Pr,4.0,AB2C_hR12_166_a_c_b:Cu-O-Pr +mp-1202854,Pr5Mo3O16,-8.6485850743,-2.9990643041,0.0317498939,0.0317498939,GGA+U,Pn-3n,A3B16C5_cP96_222_d_fi_ce:Mo-O-Pr,96.0,A3B16C5_cP96_222_d_fi_ce:Mo-O-Pr +mp-1188871,Pr2Cu2O5,-7.1620227856,-2.4405040738,0.0598614644,0.0598614644,GGA,Pbam,A2B5C2_oP18_55_g_agh_h:Cu-O-Pr,18.0,A2B5C2_oP18_55_g_agh_h:Cu-O-Pr +mp-1221435,Pr4(MoO2)9,-8.7411488722,-2.1032498137,0.282762412,0.282762412,GGA+U,Cm,A9B18C4_mC310_8_11a17b_22a34b_8a6b:Mo-O-Pr,155.0,"Invalid WP multiplicities - A9B18C4_mC310_8_11a24b_22a52b_8a8b:Mo-O-Pr, expected Pr24Mo59O126 to be Pr4(MoO2)9" +mp-33652,Pr2Mo15O28,-8.78053518,-1.8748941339,0.2278099983,0.2278099983,GGA+U,P1,A15B28C2_aP45_1_15a_28a_2a:Mo-O-Pr,45.0,A15B28C2_aP45_1_15a_28a_2a:Mo-O-Pr +mp-1210327,Pr2(MoO4)3,-8.5797342642,-2.6115562422,0.0190866617,-0.0181699268,GGA+U,C2/c,A3B12C2_mC204_15_e4f_18f_3f:Mo-O-Pr,102.0,A3B12C2_mC204_15_e4f_18f_3f:Mo-O-Pr +mp-1220031,Pr2(MoO4)3,-8.5789235824,-2.6107455603,0.0198973435,-0.017359245,GGA+U,C2/c,A3B12C2_mC68_15_ef_6f_f:Mo-O-Pr,34.0,"Invalid WP multiplicities - A3B12C2_mC68_15_2e3f_22f_f:Mo-O-Pr, expected Pr(Mo2O11)2 to be Pr2(MoO4)3" +mp-1210008,Pr2(MoO4)3,-8.5979760335,-2.6297980115,0.0008448924,-0.0364116961,GGA+U,Pba2,A3B12C2_oP68_32_3c_12c_2c:Mo-O-Pr,68.0,A3B12C2_oP68_32_3c_12c_2c:Mo-O-Pr +mp-1209807,Pr2(MoO4)3,-8.5988209259,-2.6306429038,0.0,-0.0372565885,GGA+U,P-42_1m,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Pr,34.0,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Pr +mp-541958,Pr(MoO2)6,-8.6819371366,-1.8811439287,0.2895735882,0.2895735882,GGA+U,I4/m,A6B12C_tI76_87_hi_2h2i_e:Mo-O-Pr,38.0,A6B12C_tI76_87_hi_2h2i_e:Mo-O-Pr +mp-561129,Pr(MoO2)6,-8.8647380079,-2.0639448,0.1067727169,0.1067727169,GGA+U,I4/m,A6B12C_tI76_87_hi_2h2i_e:Mo-O-Pr,38.0,A6B12C_tI76_87_hi_2h2i_e:Mo-O-Pr +mp-1186515,PrCuO3,-7.060295566,-2.3162598543,0.0246290655,0.0246290655,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Pr,5.0,AB3C_cP5_221_b_c_a:Cu-O-Pr +mp-16115,Pr2CuO4,-7.6574586957,-2.8792054064,0.0629895714,0.0622143608,GGA,Cmce,AB4C2_oC28_64_a_ef_f:Cu-O-Pr,14.0,AB4C2_oC28_64_a_ef_f:Cu-O-Pr +mp-4181,Pr2CuO4,-7.7204482671,-2.9421949779,0.0,-0.0007752106,GGA,I4/mmm,AB4C2_tI14_139_a_cd_e:Cu-O-Pr,7.0,AB4C2_tI14_139_a_cd_e:Cu-O-Pr +mp-10498,Pr2CuO4,-7.6397482357,-2.8614949464,0.0807000314,0.0799248208,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-O-Pr,7.0,AB4C2_tI14_139_a_ce_e:Cu-O-Pr +mp-767945,Mg7Co17O32,-6.8902694014,-1.7056729438,0.0827090559,0.0827090559,GGA+U,C2/m,A17B7C32_mC112_12_a4i2j_d3i_8i4j:Co-Mg-O,56.0,"Invalid WP multiplicities - A17B7C32_mC112_12_a8i3j_d5i_16i8j:Co-Mg-O, expected Mg11Co29O64 to be Mg7Co17O32" +mp-1407844,MgCoO2,-6.6081505994,-1.9576567825,0.211871745,0.211871745,GGA+U,P1,ABC2_aP16_1_4a_4a_8a:Co-Mg-O,16.0,ABC2_aP16_1_4a_4a_8a:Co-Mg-O +mp-1391832,MgCoO2,-6.5981589725,-1.9476651556,0.2218633719,0.2218633719,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Co-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Co-Mg-O, expected Mg2Co3O7 to be MgCoO2" +mp-1046266,MgCoO2,-6.6133129638,-1.9628191469,0.2067093806,0.2067093806,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Co-Mg-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_2i_7i:Co-Mg-O, expected Mg2Co3O7 to be MgCoO2" +mp-1445397,MgCoO2,-6.7760828425,-2.1255890256,0.0439395019,0.0439395019,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Co-Mg-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_3e_2e_7e:Co-Mg-O, expected Mg2Co3O7 to be MgCoO2" +mp-2210615,MgCoO2,-6.6018797575,-1.9513859406,0.2181425869,0.2181425869,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Co-Mg-O,4.0,ABC2_hR12_160_a_a_2a:Co-Mg-O +mp-1384826,MgCo2O5,-6.4857925644,-1.4169976648,0.1996869245,0.1996869245,GGA+U,Pmmn,A2BC5_oP16_59_e_a_b2e:Co-Mg-O,16.0,A2BC5_oP16_59_e_a_b2e:Co-Mg-O +mp-1043169,MgCo2O5,-6.4146594156,-1.3458645161,0.2708200733,0.2708200733,GGA+U,Cmcm,A2BC5_oC32_63_f_c_c2f:Co-Mg-O,16.0,A2BC5_oC32_63_f_c_c2f:Co-Mg-O +mp-2220732,Mg(CoO2)8,-6.6723718352,-1.1678181636,0.1283068632,0.1283068632,GGA+U,P1,A8BC16_aP25_1_8a_a_16a:Co-Mg-O,25.0,A8BC16_aP25_1_8a_a_16a:Co-Mg-O +mp-1041445,MgCo4O9,-6.4519788446,-1.1267110138,0.2606718219,0.2606718219,GGA+U,Pc,A4BC9_mP28_7_4a_a_9a:Co-Mg-O,28.0,"Invalid WP multiplicities - A4BC9_mP28_13_6g_e_f10g:Co-Mg-O, expected Mg(Co4O7)3 to be MgCo4O9" +mp-1043200,Mg(Co2O3)2,-6.8896210545,-1.461104373,0.1894322857,0.1894322857,GGA+U,Cmcm,A4BC6_oC44_63_2f_c_ac2f:Co-Mg-O,22.0,"Invalid WP multiplicities - A4BC6_oC44_63_6f_c_ac2f:Co-Mg-O, expected Mg(Co2O)6 to be Mg(Co2O3)2" +mp-2228441,MgCo5O8,-6.9172775614,-1.4376076532,0.1586502833,0.1586502833,GGA+U,Cm,A5BC8_mC28_8_3ab_a_4a2b:Co-Mg-O,14.0,A5BC8_mC28_8_3ab_a_4a2b:Co-Mg-O +mp-2228534,MgCo5O8,-6.7067068064,-1.2270368982,0.3692210383,0.3692210383,GGA+U,Cm,A5BC8_mC28_8_3ab_a_4a2b:Co-Mg-O,14.0,A5BC8_mC28_8_3ab_a_4a2b:Co-Mg-O +mp-2228518,MgCo5O8,-6.9532782521000005,-1.4736083439,0.1226495926,0.1226495926,GGA+U,R3,A5BC8_hR42_146_2ab_a_2a2b:Co-Mg-O,14.0,"Invalid WP multiplicities - A5BC8_hR42_146_2a2b_a_2a4b:Co-Mg-O, expected Mg(Co4O7)2 to be MgCo5O8" +mp-2228477,MgCo5O8,-6.8998497279,-1.4201798196,0.1760781169,0.1760781169,GGA+U,F-43m,A5BC8_cF56_216_ae_c_2e:Co-Mg-O,14.0,"Invalid WP multiplicities - A5BC8_cF56_216_a2e_c_2e:Co-Mg-O, expected MgCo9O8 to be MgCo5O8" +mp-753991,Mg2CoO4,-6.4531245539,-2.1537484482,0.0789457312,0.0789457312,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Mg-O,28.0,AB2C4_cF56_227_a_d_e:Co-Mg-O +mp-2210606,Mg(CoO2)2,-6.7080640414,-1.6218254007,0.22581413,0.1993466918,GGA+U,P1,A2BC4_aP7_1_2a_a_4a:Co-Mg-O,7.0,A2BC4_aP7_1_2a_a_4a:Co-Mg-O +mp-532119,Mg(CoO2)2,-6.8596294968,-1.7733908561,0.0742486746,0.0477812365,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Co-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Co-Mg-O, expected Mg4Co11O24 to be Mg(CoO2)2" +mp-1331876,Mg(CoO2)2,-6.8524145905000005,-1.7661759498,0.081463581,0.0549961428,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Co-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Co-Mg-O, expected Mg(CoO2)3 to be Mg(CoO2)2" +mp-1402980,Mg(CoO2)2,-6.7101783657,-1.623939725,0.2236998057,0.1972323675,GGA+U,C2/m,A2BC4_mC28_12_2i_i_4i:Co-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Co-Mg-O, expected MgCo3O7 to be Mg(CoO2)2" +mp-2210627,Mg(CoO2)2,-6.7370872843,-1.6508486436,0.1967908871,0.170323449,GGA+U,C2/m,A2BC4_mC14_12_i_a_2i:Co-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_mC14_12_i_a_3i:Co-Mg-O, expected Mg(CoO3)2 to be Mg(CoO2)2" +mp-2223319,Mg(CoO2)2,-6.7078371186,-1.6215984779,0.2260410529,0.1995736147,GGA+U,C2/m,A2BC4_mC14_12_i_a_2i:Co-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_mC14_12_i_a_3i:Co-Mg-O, expected Mg(CoO3)2 to be Mg(CoO2)2" +mp-1303707,Mg(CoO2)2,-6.8195699864,-1.7333313457,0.114308185,0.0878407468,GGA+U,C2/c,A2BC4_mC28_15_ac_e_2f:Co-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_ac_e_6f:Co-Mg-O, expected Mg(CoO6)2 to be Mg(CoO2)2" +mp-1041629,Mg(CoO2)2,-6.7089651557,-1.622726515,0.2249130157,0.1984455775,GGA+U,Pbcm,A2BC4_oP28_57_e_d_cde:Co-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oC28_63_f_c_3a3c5f:Co-Mg-O, expected Mg(CoO8)2 to be Mg(CoO2)2" +mp-770890,Mg(CoO2)2,-6.8671822043,-1.7809435636000002,0.0666959671,0.040228529,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Co-Mg-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Co-Mg-O +mp-1379601,Mg(CoO2)2,-6.8479763804000005,-1.7617377396,0.0859017911,0.0594343529,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Co-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Co-Mg-O +mp-1047657,Mg(CoO2)2,-6.7196384607,-1.6333998200000002,0.2142397107,0.1877722725,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Co-Mg-O,14.0,A2BC4_oC28_63_f_c_acf:Co-Mg-O +mp-1041883,Mg(CoO2)2,-6.8076815936,-1.7214429529,0.1261965779,0.0997291397,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Co-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Co-Mg-O, expected Mg(CoO5)2 to be Mg(CoO2)2" +mp-1041932,Mg(CoO2)2,-6.8275742614,-1.7413356207,0.10630391,0.0798364718,GGA+U,I4_1/a,A2BC4_tI28_88_c_b_f:Co-Mg-O,14.0,A2BC4_tI28_88_c_b_f:Co-Mg-O +mp-1301323,Mg(CoO2)2,-6.7978453407,-1.7116067,0.1360328307,0.1095653925,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Co-Mg-O,14.0,A2BC4_tI28_141_c_b_h:Co-Mg-O +mp-1040938,Mg(CoO2)2,-6.8369094514,-1.7506708107,0.09696872,0.0705012818,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Co-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Co-Mg-O, expected Mg2(CoO2)9 to be Mg(CoO2)2" +mp-1041012,Mg(CoO2)2,-6.8350142086000005,-1.7487755679,0.0988639629,0.0723965247,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Co-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Co-Mg-O, expected Mg2Co8O15 to be Mg(CoO2)2" +mp-2210628,Mg(CoO2)2,-6.5138651714,-1.4276265307,0.4200129999999999,0.3935455618,GGA+U,P3m1,A2BC4_hP7_156_2b_a_2a2c:Co-Mg-O,7.0,A2BC4_hP7_156_2b_a_2a2c:Co-Mg-O +mp-1048911,Mg(CoO2)2,-6.8182486586,-1.7320100179,0.1156295129,0.0891620747,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Co-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Co-Mg-O +mp-2222947,Mg(CoO2)2,-6.56751077,-1.4812721293,0.3663674014,0.3398999632,GGA+U,P-3m1,A2BC4_hP7_164_c_a_2d:Co-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_hP7_164_c_a_4d:Co-Mg-O, expected Mg(CoO4)2 to be Mg(CoO2)2" +mp-756442,Mg(CoO2)2,-6.9338781714,-1.8476395307,0.0,-0.0264674382,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Co-Mg-O +mp-1651567,Mg3Co2O7,-6.4759592046,-2.0056011447,0.0902020147,0.0902020147,GGA+U,Cc,A2B3C7_mC48_9_2a_3a_7a:Co-Mg-O,24.0,"Invalid WP multiplicities - A2B3C7_mC48_9_3a_4a_12a:Co-Mg-O, expected Mg4(CoO4)3 to be Mg3Co2O7" +mp-1379572,Mg3Co2O7,-6.4292522892,-1.9588942293,0.1369089301,0.1369089301,GGA+U,Cmc2_1,A2B3C7_oC48_36_b_ab_a3b:Co-Mg-O,24.0,"Invalid WP multiplicities - A2B3C7_oC48_36_b_ab_a4b:Co-Mg-O, expected Mg3Co2O9 to be Mg3Co2O7" +mp-755711,MgCoO3,-6.5102953635,-1.8005625678,0.1035931636,0.1035931636,GGA+U,C2/c,ABC3_mC40_15_2e_f_3f:Co-Mg-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_9f:Co-Mg-O, expected Mg2(CoO6)3 to be MgCoO3" +mp-756102,MgCoO3,-6.521940485,-1.8122076893,0.0919480421,0.0919480421,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Mg-O,20.0,ABC3_oP20_62_a_c_cd:Co-Mg-O +mp-761524,MgCoO3,-6.547917791,-1.8381849953,0.0659707361,0.0659707361,GGA+U,R-3,ABC3_hR30_148_c_c_f:Co-Mg-O,10.0,ABC3_hR30_148_c_c_f:Co-Mg-O +mp-1076820,MgCoO3,-6.06259998,-1.3528671843,0.5512885471,0.5512885471,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-Mg-O,5.0,ABC3_cP5_221_b_a_c:Co-Mg-O +mp-1099254,Mg3CoO4,-6.4554319688,-2.49344287,0.1183415434,0.1183415434,GGA+U,Pm-3m,AB3C4_cP8_221_a_c_bd:Co-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Co-Mg-O, expected Mg3CoO7 to be Mg3CoO4" +mp-2218452,Mg(CoO2)4,-6.6662587654,-1.3118694638,0.1822351285,0.1822351285,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Co-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Co-Mg-O +mp-2227385,Mg(CoO2)4,-6.6320876554,-1.2776983538,0.2164062385,0.2164062385,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Co-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Co-Mg-O +mp-2233763,Mg(CoO2)4,-6.6358412423,-1.2814519408,0.2126526515,0.2126526515,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:Co-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Co-Mg-O +mp-2233754,Mg(CoO2)4,-6.6474527515,-1.29306345,0.2010411423,0.2010411423,GGA+U,P-1,A4BC8_aP13_2_abcf_e_4i:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_aP13_2_abcf_e_8i:Co-Mg-O, expected Mg(CoO4)4 to be Mg(CoO2)4" +mp-2240965,Mg(CoO2)4,-6.7169868577,-1.3625975562,0.1315070362,0.1315070362,GGA+U,C2,A4BC8_mC26_5_2c_a_4c:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_5_4c_a_6c:Co-Mg-O, expected Mg(Co2O3)4 to be Mg(CoO2)4" +mp-1404456,Mg(CoO2)4,-6.7367852954,-1.3823959938,0.1117085985,0.1117085985,GGA+U,Cm,A4BC8_mC26_8_4a_a_8a:Co-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Co-Mg-O +mp-2233456,Mg(CoO2)4,-6.6294928754,-1.2751035738,0.2190010185,0.2190010185,GGA+U,Cm,A4BC8_mC26_8_2ab_a_4a2b:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_8_2a2b_a_4a3b:Co-Mg-O, expected Mg(Co3O5)2 to be Mg(CoO2)4" +mp-2233607,Mg(CoO2)4,-6.7586619277,-1.4042726262,0.0898319662,0.0898319662,GGA+U,C2/m,A4BC8_mC26_12_ace_b_2ij:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_aP13_2_abdg_c_8i:Co-Mg-O, expected Mg(CoO4)4 to be Mg(CoO2)4" +mp-2218279,Mg(CoO2)4,-6.7189995685,-1.3646102669,0.1294943254,0.1294943254,GGA+U,R3m,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O,13.0,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O +mp-2218451,Mg(CoO2)4,-6.6725177746,-1.3181284731,0.1759761192,0.1759761192,GGA+U,R3m,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O,13.0,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O +mp-2218314,Mg(CoO2)4,-6.7618276162,-1.4074383146,0.0866662777,0.0866662777,GGA+U,R3m,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O,13.0,A4BC8_hR39_160_ab_a_2a2b:Co-Mg-O +mp-1385133,Mg(CoO2)4,-6.7794454577,-1.4250561562,0.0690484362,0.0690484362,GGA+U,R-3m,A4BC8_hR39_166_bd_a_ch:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Co-Mg-O, expected Mg(Co2O7)2 to be Mg(CoO2)4" +mp-2218599,Mg(CoO2)4,-6.7577275862,-1.4033382846,0.0907663077,0.0907663077,GGA+U,R-3m,A4BC8_hR39_166_ad_b_ch:Co-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_2c3h:Co-Mg-O, expected Mg(Co2O11)2 to be Mg(CoO2)4" +mp-1222210,Mg(CoO2)4,-6.7656668069,-1.4112775054,0.0828270869,0.0828270869,GGA+U,F-43m,A4BC8_cF52_216_e_a_2e:Co-Mg-O,13.0,A4BC8_cF52_216_e_a_2e:Co-Mg-O +mp-1338614,MgCo3O7,-6.4543160365,-1.2223110898,0.2484542018,0.2484542018,GGA+U,P2_1/c,A3BC7_mP88_14_6e_2e_14e:Co-Mg-O,88.0,"Invalid WP multiplicities - A3BC7_mP88_14_9e_3e_17e:Co-Mg-O, expected Mg3Co9O17 to be MgCo3O7" +mp-1353996,MgCo3O7,-6.4504483723,-1.2184434256,0.252321866,0.252321866,GGA+U,Pnma,A3BC7_oP44_62_cd_c_c3d:Co-Mg-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_c2d_c_c3d:Co-Mg-O, expected MgCo5O7 to be MgCo3O7" +mp-1408143,Mg2Co3O8,-6.6449541069,-1.7142600165,0.0129903967,0.0129903967,GGA+U,C2/m,A3B2C8_mC26_12_ah_i_2ij:Co-Mg-O,13.0,A3B2C8_mC26_12_ah_i_2ij:Co-Mg-O +mp-1042753,Mg2Co3O8,-6.6436085281,-1.7129144377,0.0143359755,0.0143359755,GGA+U,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Co-Mg-O,26.0,"Invalid WP multiplicities - A3B2C8_hP26_186_c_2b_a2b3c:Co-Mg-O, expected Mg2(CoO4)3 to be Mg2Co3O8" +mp-1045937,Mg2Co9O13,-6.9485341592,-1.4701019299,0.1499747367,0.1499747367,GGA+U,C2/m,A9B2C13_mC48_12_a4i_i_d6i:Co-Mg-O,24.0,A9B2C13_mC48_12_a4i_i_c6i:Co-Mg-O +mp-1076088,Mg2Co2O5,-6.6245873722,-1.9411830115,0.1745455789,0.1745455789,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Co-Mg-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Co-Mg-O +mp-1368679,Mg2Co2O5,-6.4413625306,-1.7579581699,0.3577704206,0.3577704206,GGA+U,Pbam,A2B2C5_oP18_55_g_h_agh:Co-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Co-Mg-O, expected MgCoO6 to be Mg2Co2O5" +mp-2230020,MgCo7O12,-6.765925343,-1.2299868855,0.2118878193,0.2118878193,GGA+U,P1,A7BC12_aP20_1_7a_a_12a:Co-Mg-O,20.0,A7BC12_aP20_1_7a_a_12a:Co-Mg-O +mp-2230039,MgCo7O12,-6.751147506,-1.2152090485,0.2266656563,0.2266656563,GGA+U,P1,A7BC12_aP20_1_7a_a_12a:Co-Mg-O,20.0,A7BC12_aP20_1_7a_a_12a:Co-Mg-O +mp-2230053,MgCo7O12,-6.775997765,-1.2400593075,0.2018153973,0.2018153973,GGA+U,C2,A7BC12_mC40_5_2a3bc_a_6c:Co-Mg-O,20.0,"Invalid WP multiplicities - A7BC12_mC40_5_2a3b2c_a_6c:Co-Mg-O, expected Mg(Co3O4)3 to be MgCo7O12" +mp-767791,Mg5Co19O32,-7.0511790291,-1.6698669378000002,0.0,-0.0269090068,GGA+U,R3m,A19B5C32_hR168_160_7a4b_5a_8a8b:Co-Mg-O,56.0,"Invalid WP multiplicities - A19B5C32_hR168_160_7a10b_5a_8a14b:Co-Mg-O, expected Mg5Co37O50 to be Mg5Co19O32" +mp-2220356,Lu4Mg(CoO3)4,-7.6345166552,-2.5165348531,0.3122423112,0.3122423112,GGA+U,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Co-Lu-Mg-O,21.0,"Invalid WP multiplicities - A4B4CD12_mP21_6_2c_2a2b_a_2a2b8c:Co-Lu-Mg-O, expected Lu4Mg(CoO5)4 to be Lu4Mg(CoO3)4" +mp-550950,LuCoO3,-7.939461358,-2.6455944682,0.0347111426,0.0347111426,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c4d:Co-Lu-O, expected LuCoO11 to be LuCoO3" +mp-771384,Lu2Co2O7,-7.7183156455,-2.4560104083,0.0089070087,0.0089070087,GGA+U,Fd-3m,A2B2C7_cF88_227_d_c_af:Co-Lu-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Co-Lu-O, expected LuCoO10 to be Lu2Co2O7" +mp-13096,Y3AlNi8,-6.0350054362,-0.2528318854,0.2103822101,0.2103822101,GGA,P6_3/mmc,AB8C3_hP24_194_c_abk_df:Al-Ni-Y,24.0,"Invalid WP multiplicities - AB8C3_hP24_194_c_ab2k_df:Al-Ni-Y, expected Y3AlNi14 to be Y3AlNi8" +mp-1192326,Y3AlNi8,-6.0716122171,-0.2894386662,0.1737754292,0.1737754292,GGA,P6_3/mmc,AB8C3_hP24_194_c_adk_bf:Al-Ni-Y,24.0,AB8C3_hP24_194_c_adk_bf:Al-Ni-Y +mp-981988,Y(Mg4Al3)4,-2.7227153231,-0.0669269826,0.0167933821,0.0167933821,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Y,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Y, expected YMg49Al48 to be Y(Mg4Al3)4" +mp-971834,Y(Mg4Al3)4,-2.7268195503,-0.0710312099,0.0126891549,0.0126891549,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Y,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Y, expected Y(Mg5Al)12 to be Y(Mg4Al3)4" +mp-4847,Y4Al23Ni6,-4.9634411576,-0.5181396841,0.0,-0.0038089744,GGA,C2/m,A23B6C4_mC66_12_a11i_3i_2i:Al-Ni-Y,33.0,"Invalid WP multiplicities - A23B6C4_mC66_12_a14i_5i_3i:Al-Ni-Y, expected Y6Al29Ni10 to be Y4Al23Ni6" +mp-604516,Y2AlNi2,-6.178778554,-0.5310202707,0.0022980675,0.0022980675,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Y,5.0,AB2C2_oI10_71_a_f_h:Al-Ni-Y +mp-13090,YMgAl,-4.2694006811,-0.33195835,0.0,-0.0126127394,GGA,P-62m,ABC_hP9_189_ad_g_f:Al-Mg-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Al-Mg-Y, expected Y3Mg3Al5 to be YMgAl" +mp-3602,YAl4Ni,-5.0951518367,-0.5569999844,0.0,-0.0146522828,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ni-Y,12.0,A4BC_oC24_63_acf_c_c:Al-Ni-Y +mp-13094,YAl2Ni,-5.5847576263,-0.6503177629,0.0,-0.0368313772,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Y,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Y +mp-3433,YMgNi4,-5.58676951,-0.3888865294,0.0,-0.059666386,GGA,F-43m,AB4C_cF24_216_a_e_c:Mg-Ni-Y,6.0,AB4C_cF24_216_a_e_c:Mg-Ni-Y +mp-754185,Y2MgNi2,-5.591037458,-0.3723383307,0.0,-0.0221351177,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Ni-Y,10.0,AB2C2_tP10_127_a_g_h:Mg-Ni-Y +mp-4577,Y3(AlNi3)2,-6.1524509927,-0.5550523491,0.0,-0.0392410049,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Al-Ni-Y,22.0,A2B6C3_cI44_229_c_h_e:Al-Ni-Y +mp-1216255,Y2(AlNi)5,-5.6805498956000005,-0.6337578308,0.0,-0.0009722564,GGA,Pm,A5B5C2_mP36_6_6a9b_12a3b_2a4b:Al-Ni-Y,36.0,A5B5C2_mP36_6_6a9b_12a3b_2a4b:Al-Ni-Y +mp-1215929,YMgAl4,-4.105713535,-0.2642044544,0.0361421763,0.0361421763,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Al-Mg-Y,12.0,A4BC_hP12_164_abi_d_d:Al-Mg-Y +mp-1023500,YMg6Al,-2.5088044256,-0.0320885202,0.1073519731,0.1073519731,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Y, expected YMg12Al to be YMg6Al" +mp-1023501,YMg6Al,-2.4978241175,-0.0211082121,0.1183322812,0.1183322812,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Y, expected YMg12Al to be YMg6Al" +mp-865602,Y2MgAl,-4.8691675325,-0.2994680058,0.0,-0.0292747636,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Y,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Y +mp-642428,Y3Al19Ni5,-4.9295167046,-0.5048486487,0.0001064994,0.0001064994,GGA,Cmcm,A19B5C3_oC108_63_c9f_c2f_cf:Al-Ni-Y,54.0,"Invalid WP multiplicities - A19B5C3_oC108_63_2c34f_2c5f_2c2f:Al-Ni-Y, expected Y3Al35Ni6 to be Y3Al19Ni5" +mp-5063,YAl3Ni2,-5.5380594239,-0.6608140967,0.0,-0.0076555897,GGA,P6/mmm,A3B2C_hP18_191_fk_l_ad:Al-Ni-Y,18.0,"Invalid WP multiplicities - A3B2C_hP18_191_f2k_l_ad:Al-Ni-Y, expected YAl5Ni2 to be YAl3Ni2" +mp-1216272,Y16Mg3AlNi4,-5.8655364446,-0.2350989232,0.0,-0.0040136663,GGA,R3m,AB3C4D16_hR72_160_a_b_ab_a5b:Al-Mg-Ni-Y,24.0,AB3C4D16_hR72_160_a_b_ab_a5b:Al-Mg-Ni-Y +mp-4054,YAl3Ni,-5.295738009,-0.5990709523000001,0.0,-0.0047438565,GGA,Pnma,A3BC_oP20_62_3c_c_c:Al-Ni-Y,20.0,"Invalid WP multiplicities - A3BC_oP20_62_5c_c_c:Al-Ni-Y, expected YAl5Ni to be YAl3Ni" +mp-1028247,YMg14Ni,-2.1607410131,0.0049170177,0.082739695,0.082739695,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Y, expected YMg18Ni to be YMg14Ni" +mp-1028098,YMg14Ni,-2.1348451925,0.0308128383,0.1086355156,0.1086355156,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Y, expected YMg26Ni to be YMg14Ni" +mp-1216089,YAlNi,-5.8339092,-0.5031813256000001,0.0977993033,0.0808600528,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Ni-Y,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Ni-Y, expected Y3(AlNi)2 to be YAlNi" +mp-1216127,YAlNi,-5.8419457467,-0.5112178722,0.0897627567,0.0728235061,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Y,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Y, expected Y3(AlNi)2 to be YAlNi" +mp-13095,YAlNi,-5.9317085033,-0.6009806289,0.0,-0.0169392506,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Al-Ni-Y, expected Y3Al3Ni5 to be YAlNi" +mp-1207825,Y4MgNi,-5.7438411396,-0.2027909424,0.0,-0.0063064867,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ni-Y,24.0,ABC4_cF96_216_e_e_efg:Mg-Ni-Y +mp-1023061,YMg6Ni,-2.7158752869,0.0151607248,0.1475233379,0.1475233379,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Y, expected YMg12Ni to be YMg6Ni" +mp-1099266,YMg6Ni,-2.7114457837,0.0195902279,0.151952841,0.151952841,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Y,8.0,A6BC_oC16_38_abde_a_b:Mg-Ni-Y +mp-1028213,YMg14Al,-2.0565506756,-0.0180526979,0.0636324384,0.0636324384,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Y, expected YMg18Al to be YMg14Al" +mp-1028198,YMg14Al,-2.03867313,-0.0001751523,0.081509984,0.081509984,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Y, expected YMg26Al to be YMg14Al" +mp-1216015,YAl8Ni3,-4.7832174917,-0.3022601756,0.2455930167,0.2455930167,GGA,Amm2,A8B3C_oC24_38_ab3c_a2b_a:Al-Ni-Y,,"Invalid WP multiplicities - A8B3C_oC24_38_ab5c_a2b_a:Al-Ni-Y, expected Y(Al4Ni)3 to be YAl8Ni3" +mp-1110928,K3BiBr6,-3.32180656,-1.6728209649,0.068560166,0.068560166,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-Br-K,10.0,AB6C3_cF40_225_a_e_bc:Bi-Br-K +mp-1095997,KHg2Bi,-0.8982243075,0.4913378942,0.7520167684,0.7520167684,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Hg-K,4.0,AB2C_oI8_71_a_e_b:Bi-Hg-K +mp-1112205,K2HgBiBr6,-2.956638583,-1.3883248461,0.0857392655,0.0857392655,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Hg-K +mp-1211303,KHg5Br11,-2.1697254724,-1.0101894487,0.0,-0.0225615675,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-K,17.0,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-K +mp-1304288,Ca2Fe3O8,-7.3296844581,-2.0223942212,0.0208720012,0.0208720012,GGA+U,P-1,A2B3C8_aP13_2_i_ai_4i:Ca-Fe-O,26.0,"Invalid WP multiplicities - A2B3C8_aP13_2_i_2a2i_5i:Ca-Fe-O, expected CaFe3O5 to be Ca2Fe3O8" +mp-1295140,Ca2Fe3O8,-7.3178337396,-2.0105435027,0.0327227197,0.0327227197,GGA+U,C2,A2B3C8_mC26_5_c_2ab_4c:Ca-Fe-O,26.0,"Invalid WP multiplicities - A2B3C8_mC26_5_c_2a2b_6c:Ca-Fe-O, expected Ca(FeO3)2 to be Ca2Fe3O8" +mp-1282794,Ca2Fe3O8,-7.3141647,-2.0068744631,0.0363917593,0.0363917593,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Fe-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Fe-O +mp-1042899,Ca2Fe3O8,-7.2197151546,-1.9124249177,0.1308413047,0.1308413047,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Fe-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Fe-O, expected Ca2(FeO4)3 to be Ca2Fe3O8" +mp-31763,Ca2FeReO6,-8.016387851,-2.5557998088,0.0,-0.0090269415,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Fe-O-Re,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Fe-O-Re +mp-1195295,CaFe5O7,-7.8931969367,-1.8176179437,0.046040458,0.046040458,GGA+U,P2_1/m,AB5C7_mP52_11_2e_ac4f_2e6f:Ca-Fe-O,52.0,AB5C7_mP52_11_2e_ad4f_2e6f:Ca-Fe-O +mp-27492,CaFe5O7,-7.8929259892,-1.8173469962,0.0463114055,0.0463114055,GGA+U,Cmcm,AB5C7_oC52_63_c_a2f_c3f:Ca-Fe-O,26.0,"Invalid WP multiplicities - AB5C7_oC52_63_c_a3f_c3f:Ca-Fe-O, expected Ca(FeO)7 to be CaFe5O7" +mp-9457,Ca3ReO6,-7.738640613,-2.9244947037,0.0,-0.0025861067,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Ca-O-Re,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_a2e_3e_b:Ca-O-Re, expected Ca5ReO6 to be Ca3ReO6" +mp-1199701,Ca(ReO5)2,-7.6471430423,-1.7731783221,0.1934355069,0.1934355069,GGA,Cc,AB10C2_mC104_9_2a_20a_4a:Ca-O-Re,52.0,AB10C2_mC104_9_2a_20a_4a:Ca-O-Re +mp-731639,Ca(ReO5)2,-7.6509005525,-1.7769358323,0.1896779967,0.1896779967,GGA,C2/c,AB10C2_mC104_15_f_10f_2f:Ca-O-Re,52.0,AB10C2_mC104_15_f_10f_2f:Ca-O-Re +mp-1224752,Fe(ReO3)2,-8.8282921572,-1.8239357297,0.0879062263,0.0879062263,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Fe-O-Re,18.0,AB6C2_tP18_136_a_fj_e:Fe-O-Re +mp-1048015,CaFe4O9,-7.1871575757,-1.4438802099,0.2672142546,0.2672142546,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Ca-Fe-O,28.0,AB4C9_tP28_85_c_g_a2g:Ca-Fe-O +mp-541620,Ca2Fe9O13,-7.8653960304,-1.8425483681,0.0529019393,0.0529019393,GGA+U,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Ca-Fe-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Ca-Fe-O +mp-558966,Ca5(ReO6)2,-7.8479808243,-2.886016703,0.0,-0.0860359344,GGA,R-3c,A5B12C2_hR342_167_ac2f_6f_bce:Ca-O-Re,114.0,"Invalid WP multiplicities - A5B12C2_hR342_167_2a3c14f_58f_2b4c4e:Ca-O-Re, expected Ca46Re11O174 to be Ca5(ReO6)2" +mp-1044389,CaFe3O7,-7.1957213034,-1.5554954408,0.2341123483,0.2341123483,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Fe-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Fe-O, expected CaFe5O7 to be CaFe3O7" +mp-673820,Ca2Fe2O5,-7.34018334,-2.2641071471,0.1927899308,0.1642765203,GGA+U,P-1,A2B2C5_aP18_2_2i_bci_5i:Ca-Fe-O,18.0,"Invalid WP multiplicities - A2B2C5_aP18_2_3i_bc2i_9i:Ca-Fe-O, expected CaFeO3 to be Ca2Fe2O5" +mp-1227586,Ca2Fe2O5,-7.4758496328,-2.3997734399,0.0571236381,0.0286102275,GGA+U,C2/m,A2B2C5_mC36_12_j_ei_ghij:Ca-Fe-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_12_j_ei_g2hij:Ca-Fe-O, expected CaFeO3 to be Ca2Fe2O5" +mp-1096887,Ca2Fe2O5,-7.3604728967,-2.2843967038,0.1725003742,0.1439869636,GGA+U,Pmn2_1,A2B2C5_oP18_31_2a_b_a2b:Ca-Fe-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_31_2a_b_a4b:Ca-Fe-O, expected Ca2Fe2O9 to be Ca2Fe2O5" +mp-1076319,Ca2Fe2O5,-7.4864480261,-2.4103718332,0.0465252447,0.0180118342,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Fe-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Fe-O +mp-1370756,Ca2Fe2O5,-7.4343743344,-2.3582981415,0.0985989364,0.0700855258,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Fe-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Fe-O, expected CaFeO6 to be Ca2Fe2O5" +mp-22113,Ca2Fe2O5,-7.5329732708,-2.4568970779,0.0,-0.0285134106,GGA+U,Pnma,A2B2C5_oP36_62_d_ac_c2d:Ca-Fe-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_d_2a2c_c2d:Ca-Fe-O, expected Ca2Fe4O5 to be Ca2Fe2O5" +mp-29532,Ca11(ReO6)4,-7.79358086,-2.90742095,0.0,-0.0016719389,GGA,I4_1,A11B24C4_tI156_80_3a4b_12b_2b:Ca-O-Re,78.0,"Invalid WP multiplicities - A11B24C4_tI156_80_3a4b_13b_2b:Ca-O-Re, expected Ca11(Re2O13)2 to be Ca11(ReO6)4" +mp-28009,Ca4Fe9O17,-7.7278679233,-2.11632464,0.0265057083,0.0265057083,GGA+U,C2,A4B9C17_mC60_5_2c_a2b3c_a8c:Ca-Fe-O,30.0,A4B9C17_mC60_5_2c_a2b3c_a8c:Ca-Fe-O +mp-1343817,CaFeReO6,-8.1023248544,-2.2578492386,0.0433917513,0.0433917513,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Ca-Fe-O-Re,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_10a_a:Ca-Fe-O-Re, expected CaFeReO10 to be CaFeReO6" +mp-1234693,Ca(Fe2O3)4,-7.76246814,-1.6136093736,0.2134693157,0.2134693157,GGA+U,P1,AB8C12_aP21_1_a_8a_12a:Ca-Fe-O,21.0,AB8C12_aP21_1_a_8a_12a:Ca-Fe-O +mp-1233089,Ca(Fe2O3)4,-7.8138654176,-1.6650066512,0.162072038,0.162072038,GGA+U,P2,AB8C12_mP21_3_a_4e_abcd4e:Ca-Fe-O,21.0,"Invalid WP multiplicities - AB8C12_mP21_3_a_6e_abcd6e:Ca-Fe-O, expected Ca(Fe3O4)4 to be Ca(Fe2O3)4" +mp-1215136,Ca3(Fe3O5)5,-7.8421129862,-1.8715470426,0.061390896,0.061390896,GGA+U,C2,A3B15C25_mC172_5_3c_ab14c_ab24c:Ca-Fe-O,86.0,A3B15C25_mC172_5_3c_ab14c_ab24c:Ca-Fe-O +mp-1380123,Ca(FeO2)2,-7.604057336,-2.0708577438,0.1185242096,0.1185242096,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Fe-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Fe-O +mp-1827335,Ca(FeO2)2,-7.6501221679,-2.1169225757,0.0724593777,0.0724593777,GGA+U,P-1,AB2C4_aP14_2_i_abcf_4i:Ca-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abcf_8i:Ca-Fe-O, expected Ca(FeO4)2 to be Ca(FeO2)2" +mp-1395157,Ca(FeO2)2,-5.57678209,-0.0435824979,2.1457994555,2.1457994555,GGA+U,P-1,AB2C4_aP14_2_i_abcf_4i:Ca-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abcf_8i:Ca-Fe-O, expected Ca(FeO4)2 to be Ca(FeO2)2" +mp-1403435,Ca(FeO2)2,-7.5892812936,-2.0560817014,0.133300252,0.133300252,GGA+U,Cm,AB2C4_mC28_8_2a_4a_8a:Ca-Fe-O,14.0,AB2C4_mC28_8_2a_4a_8a:Ca-Fe-O +mp-1328340,Ca(FeO2)2,-7.608147982,-2.0749483898,0.1144335636,0.1144335636,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Fe-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Fe-O, expected Ca4Fe11O24 to be Ca(FeO2)2" +mp-1041330,Ca(FeO2)2,-7.6484369555,-2.1152373633,0.0741445901,0.0741445901,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Fe-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a12b:Ca-Fe-O, expected Ca(FeO2)3 to be Ca(FeO2)2" +mp-1400773,Ca(FeO2)2,-7.6742665021,-2.14106691,0.0483150434,0.0483150434,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Ca-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abcf_8i:Ca-Fe-O, expected Ca(FeO4)2 to be Ca(FeO2)2" +mp-1042970,Ca(FeO2)2,-7.5627066593,-2.0295070671,0.1598748863,0.1598748863,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Fe-O, expected CaFe3O7 to be Ca(FeO2)2" +mp-20547,Ca(FeO2)2,-7.7047787093,-2.1715791171,0.0178028363,0.0178028363,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Fe-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Fe-O +mp-1271060,Ca(FeO2)2,-7.7106484389,-2.1774488468,0.0119331066,0.0119331066,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Fe-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_59_ab_2c2e_2eg:Ca-Fe-O, expected Ca(FeO)4 to be Ca(FeO2)2" +mp-1042170,Ca(FeO2)2,-7.6809052507,-2.1477056586,0.0416762948,0.0416762948,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Fe-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Fe-O +mp-1041946,Ca(FeO2)2,-7.5803148229,-2.0471152307,0.1422667227,0.1422667227,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Fe-O, expected Ca(FeO5)2 to be Ca(FeO2)2" +mp-1385938,Ca(FeO2)2,-7.2221643243,-1.6889647321,0.5004172213,0.5004172213,GGA+U,P4/mmm,AB2C4_tP7_123_a_e_k:Ca-Fe-O,7.0,AB2C4_tP7_123_a_e_k:Ca-Fe-O +mp-1390509,Ca(FeO2)2,-7.2755523414,-1.7423527493000002,0.4470292041,0.4470292041,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Fe-O,14.0,AB2C4_tI28_141_a_d_h:Ca-Fe-O +mp-1041171,Ca(FeO2)2,-7.669789011,-2.1365894188,0.0527925346,0.0527925346,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Fe-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b8d_2a2b2c16d:Ca-Fe-O, expected Ca2(FeO2)9 to be Ca(FeO2)2" +mp-1048853,Ca(FeO2)2,-7.6403677386,-2.1071681464,0.082213807,0.082213807,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Fe-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Fe-O +mp-1405146,Ca(FeO2)2,-7.6782616979,-2.1450621057,0.0443198477,0.0443198477,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Fe-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Fe-O +mp-1324016,Ca3Fe2O7,-7.2098040358,-2.4111654493,0.0,-0.0023208537,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Fe-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Ca-Fe-O, expected Ca3Fe2O9 to be Ca3Fe2O7" +mp-29248,Ca2Fe7O11,-7.8011033355,-1.9153571328,0.0627521291,0.0627521291,GGA+U,C2/m,A2B7C11_mC40_12_i_a3i_d5i:Ca-Fe-O,20.0,"Invalid WP multiplicities - A2B7C11_mC40_12_i_a3i_c6i:Ca-Fe-O, expected Ca2Fe7O13 to be Ca2Fe7O11" +mp-1446443,CaFe2O5,-7.2807740169,-1.8208882848,0.1061178223,0.1061178223,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Fe-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Fe-O +mp-1043297,CaFe2O5,-7.1856902888,-1.7258045567,0.2012015504,0.2012015504,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Fe-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Fe-O +mp-1199365,Fe(ReO5)3,-7.6990607992,-1.3830643027,0.2823556919,0.2823556919,GGA+U,P-1,AB15C3_aP38_2_i_15i_3i:Fe-O-Re,38.0,AB15C3_aP38_2_i_15i_3i:Fe-O-Re +mp-1272846,CaFeO3,-7.2877994345,-2.2246619898,0.004620417,-0.0110871755,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Ca-Fe-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2a2b_5e:Ca-Fe-O, expected CaFe2O5 to be CaFeO3" +mp-1278982,CaFeO3,-7.23952913,-2.1763916852,0.0528907215,0.037183129,GGA+U,Pmma,ABC3_oP10_51_f_e_acf:Ca-Fe-O,20.0,ABC3_cP5_221_a_b_c:Ca-Fe-O +mp-19115,CaFeO3,-7.2924198515,-2.2292824067,0.0,-0.0157075925,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Fe-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_2c2d:Ca-Fe-O, expected CaFeO6 to be CaFeO3" +mp-1001571,CaFeO3,-7.2402726,-2.1771351553,0.0521472515,0.036439659,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Fe-O,5.0,ABC3_cP5_221_a_b_c:Ca-Fe-O +mp-19193,CaFe3O5,-7.8053813561,-2.0110361265,0.0221791051,0.0221791051,GGA+U,Cmcm,AB3C5_oC36_63_c_af_c2f:Ca-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_oC36_63_c_2a2f_c2f:Ca-Fe-O, expected CaFe6O5 to be CaFe3O5" +mp-1369460,CaFeO2,-7.2583061219,-2.1660564938,0.2283490431,0.2283490431,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Fe-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Fe-O, expected Ca2Fe3O7 to be CaFeO2" +mp-1046324,CaFeO2,-7.35110146,-2.2588518319,0.135553705,0.135553705,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Fe-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Fe-O, expected Ca2Fe3O7 to be CaFeO2" +mp-1048244,CaFeO2,-7.4547333531,-2.362483725,0.0319218119,0.0319218119,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Fe-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Fe-O, expected Ca2Fe3O7 to be CaFeO2" +mp-1079680,CaFeO2,-7.4487669781,-2.35651735,0.0378881869,0.0378881869,GGA+U,P-42_1m,ABC2_tP8_113_c_a_e:Ca-Fe-O,16.0,ABC2_tP8_113_c_a_e:Ca-Fe-O +mp-19842,CaFeO2,-7.39529864,-2.3030490119,0.091356525,0.091356525,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:Ca-Fe-O,4.0,ABC2_tP4_123_a_d_e:Ca-Fe-O +mp-1366463,Ca3Fe2(ReO6)2,-8.0744479468,-2.4320184224,0.0268112183,0.0268112183,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Fe-O-Re,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Fe-O-Re +mp-27491,Ca(Fe2O3)2,-7.8528982605,-1.8923694434,0.040653116,0.040653116,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Fe-O,22.0,AB4C6_oC44_63_c_2f_ac2f:Ca-Fe-O +mp-1398614,Ca(FeO2)4,-7.5087305908,-1.7041771746,0.138539941,0.138539941,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Ca-Fe-O,13.0,AB4C8_mC26_8_a_4a_8a:Ca-Fe-O +mp-1406798,Ca(FeO2)4,-7.4982976415,-1.6937442254,0.1489728902,0.1489728902,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Fe-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Fe-O, expected Ca(Fe2O7)2 to be Ca(FeO2)4" +mp-1365538,Ca(Fe9O13)2,-7.8668936744,-1.5762294933,0.1679966971,0.1679966971,GGA+U,P1,AB18C26_aP45_1_a_18a_26a:Ca-Fe-O,45.0,AB18C26_aP45_1_a_18a_26a:Ca-Fe-O +mp-653005,Ca2(Fe2O3)11,-7.9308549518,-1.727479621,0.0682243419,0.0682243419,GGA+U,R32,A2B22C33_hR171_155_c_5cdef_a4c4f:Ca-Fe-O,57.0,"Invalid WP multiplicities - A2B22C33_hR171_155_c_9c3d3e6f_a8c19f:Ca-Fe-O, expected Ca2Fe72O131 to be Ca2(Fe2O3)11" +mp-5151,Cd4GeS6,-3.8228944118,-0.8107774940000001,0.0131044895,0.0131044895,GGA,Cc,A4BC6_mC44_9_4a_a_6a:Cd-Ge-S,22.0,A4BC6_mC44_9_4a_a_6a:Cd-Ge-S +mp-1194601,Cs2CdGe3S8,-4.5274500246,-0.9792802386,0.0,-0.0195448988,GGA,P2_12_12_1,AB2C3D8_oP56_19_a_2a_3a_8a:Cd-Cs-Ge-S,56.0,AB2C3D8_oP56_19_a_2a_3a_8a:Cd-Cs-Ge-S +mp-1237751,Tb3(SiC)2,-6.4556451557,-0.2826358207,0.2673650012,0.2673650012,GGA,Cmm2,A2B2C3_oC14_35_e_d_ad:C-Si-Tb,7.0,A2B2C3_oC14_65_j_g_ah:C-Si-Tb +mp-1105676,Tb5Si3C,-5.9751254217,-0.5666309681,0.0483363544,0.0483363544,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Tb,18.0,AB3C5_hP18_193_b_g_dg:C-Si-Tb +mp-1205603,TbSiRu2C,-8.168969246,-0.6015383055,0.0,-0.0655265158,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Tb +mp-1033099,Mg6AlCoO8,-6.51284217,-2.7610244441000003,0.1615581791,0.1615581791,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Co-Mg-O, expected Mg6AlCoO12 to be Mg6AlCoO8" +mp-1033115,Mg6AlCoO8,-6.4832491769,-2.7314314509,0.1911511722,0.1911511722,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Co-Mg-O, expected Mg6AlCoO12 to be Mg6AlCoO8" +mp-1023491,Mg6AlCo,-2.4496439831,0.1073027575,0.2747803035,0.2747803035,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Co-Mg, expected Mg12AlCo to be Mg6AlCo" +mp-1023504,Mg6AlCo,-2.467741275,0.0892054656,0.2566830117,0.2566830117,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Co-Mg, expected Mg12AlCo to be Mg6AlCo" +mp-1036619,Mg14AlCoO16,-6.4355004397,-2.9228493864,0.0654620748,0.0654620748,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Co-Mg-O, expected Mg18AlCoO20 to be Mg14AlCoO16" +mp-1036613,Mg14AlCoO16,-6.4243353309,-2.9116842777,0.0766271836,0.0766271836,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Co-Mg-O, expected Mg30AlCoO32 to be Mg14AlCoO16" +mp-1038344,Mg30AlCoO32,-6.3848660275,-2.9917983105,0.0293775698,0.0293775698,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Co-Mg-O, expected Mg90AlCoO80 to be Mg30AlCoO32" +mp-1038340,Mg30AlCoO32,-6.3807947663,-2.9877270493,0.033448831,0.033448831,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Co-Mg-O, expected Mg110AlCoO72 to be Mg30AlCoO32" +mp-1354911,Al5(CoO4)3,-7.5057265147,-2.5350716612,0.1231837786,0.1231837786,GGA+U,Cm,A5B3C12_mC80_8_4a3b_6a_12a6b:Al-Co-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_8_4a6b_6a_12a12b:Al-Co-O, expected Al8(CoO6)3 to be Al5(CoO4)3" +mp-1252778,Al5(CoO4)3,-7.5071404037,-2.5364855502,0.1217698896,0.1217698896,GGA+U,C2/m,A5B3C12_mC80_12_e2ij_3i_6i3j:Al-Co-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_12_2e2i3j_6i_12i11j:Al-Co-O, expected Al5Co3O17 to be Al5(CoO4)3" +mp-1248478,AlCoO3,-7.2351445423,-2.0963525906,0.2810460835,0.2810460835,GGA+U,P1,ABC3_aP30_1_6a_6a_18a:Al-Co-O,30.0,ABC3_aP30_1_6a_6a_18a:Al-Co-O +mp-754022,AlCoO3,-7.369777195,-2.2309852432,0.1464134308,0.1464134308,GGA+U,P1,ABC3_aP10_1_2a_2a_6a:Al-Co-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Al-Co-O, expected AlCoO5 to be AlCoO3" +mp-776216,AlCoO3,-7.381012709,-2.2422207573,0.1351779168,0.1351779168,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Al-Co-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Al-Co-O, expected AlCoO5 to be AlCoO3" +mp-1404938,AlCoO3,-2.411246398,2.7275455537,5.1049442278,5.1049442278,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Al-Co-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Al-Co-O, expected AlCoO5 to be AlCoO3" +mp-756947,AlCoO3,-7.3842067435,-2.2454147917,0.1319838823,0.1319838823,GGA+U,C2/c,ABC3_mC40_15_f_2e_3f:Al-Co-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_3e_9f:Al-Co-O, expected Al2(CoO6)3 to be AlCoO3" +mp-1378752,AlCoO3,-7.3038299015,-2.1650379497,0.2123607243,0.2123607243,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Co-O,20.0,ABC3_oP20_62_c_a_cd:Al-Co-O +mp-1178576,AlCoO3,-7.454490492,-2.3156985402,0.0617001338,0.0617001338,GGA+U,R-3,ABC3_hR30_148_c_c_f:Al-Co-O,10.0,ABC3_hR30_148_c_c_f:Al-Co-O +mp-1348445,AlCoO3,-7.2470190167,-2.1082270649,0.2691716092,0.2691716092,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Co-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Co-O +mp-1386773,AlCoO3,-7.229388904,-2.0905969523,0.2868017218,0.2868017218,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Co-O,10.0,ABC3_hP10_194_a_c_bf:Al-Co-O +mp-1435808,AlCoO3,-6.187918972,-1.0491270203,1.3282716538,1.3282716538,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Al-Co-O,5.0,ABC3_cP5_221_a_b_c:Al-Co-O +mp-1358877,Al4(CoO4)3,-7.1776758708,-2.1425431739,0.2219359285,0.2219359285,GGA+U,Cm,A4B3C12_mC76_8_2a3b_6a_12a6b:Al-Co-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_8_2a5b_6a_12a12b:Al-Co-O, expected Al2CoO6 to be Al4(CoO4)3" +mp-1253319,Al4(CoO4)3,-7.1642428445,-2.1291101476,0.2353689548,0.2353689548,GGA+U,C2/m,A4B3C12_mC76_12_adej_3i_6i3j:Al-Co-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_12_ac2e2j_6i_12i12j:Al-Co-O, expected Al7(CoO6)6 to be Al4(CoO4)3" +mp-37621,Al2CoO4,-7.7637009714,-2.8513832143,0.0379991793,-0.0361538668,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Al-Co-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Al-Co-O, expected Al3CoO6 to be Al2CoO4" +mp-674336,Al2CoO4,-7.765027006,-2.8527092488,0.0366731448,-0.0374799013,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Al-Co-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab5d_a2b3c_2a2b2c14d:Al-Co-O, expected Al3CoO8 to be Al2CoO4" +mp-532094,Al2CoO4,-7.8017001507,-2.8893823936,0.0,-0.0741530461,GGA+U,P3m1,A2BC4_hP84_156_2a3bc6d_4a3b5c_4a4b4c12d:Al-Co-O,84.0,"Invalid WP multiplicities - A2BC4_hP84_156_2a3bc11d_4a3b5c_4a4b4c32d:Al-Co-O, expected Al13(CoO9)4 to be Al2CoO4" +mp-530381,Al2CoO4,-7.7502989925,-2.8379812354,0.0514011582,-0.0227518879,GGA+U,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Co-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a7b_8a_8a20b:Al-Co-O, expected Al25(Co2O17)4 to be Al2CoO4" +mp-530284,Al2CoO4,-7.7237874723,-2.8114697152,0.0779126784,0.0037596323,GGA+U,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Co-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a7b_8a_8a19b:Al-Co-O, expected Al25Co8O65 to be Al2CoO4" +mp-532212,Al2CoO4,-7.7149664504,-2.8026486933,0.0867337003,0.0125806542,GGA+U,R3m,A2BC4_hR210_160_5a5b_10a_10a10b:Al-Co-O,70.0,"Invalid WP multiplicities - A2BC4_hR210_160_5a10b_10a_10a23b:Al-Co-O, expected Al35Co10O79 to be Al2CoO4" +mp-36447,Al2CoO4,-7.779964325,-2.8676465679,0.0217358257,-0.0524172204,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Co-O,28.0,A2BC4_cF56_227_c_b_e:Al-Co-O +mp-1028342,Mg14AlCo,-2.0135966531,0.0650167422,0.158494458,0.158494458,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Co-Mg, expected Mg18AlCo to be Mg14AlCo" +mp-1028266,Mg14AlCo,-2.0150504906,0.0635629047,0.1570406205,0.1570406205,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Co-Mg, expected Mg26AlCo to be Mg14AlCo" +mp-1045074,Al(CoO2)3,-7.2035271847,-1.7284610365000002,0.0781230512,0.0781230512,GGA+U,C2/m,AB3C6_mC80_12_2i_e3ij_6i3j:Al-Co-O,40.0,"Invalid WP multiplicities - AB3C6_mC80_12_2i_2e6i4j_11i12j:Al-Co-O, expected Al2Co16O35 to be Al(CoO2)3" +mp-1248269,Al(CoO2)2,-7.1478261064,-1.75511664,0.3404855225,0.3404855225,GGA+U,P-1,AB2C4_aP14_2_i_abcf_4i:Al-Co-O,14.0,AB2C4_mC28_15_e_ac_2f:Al-Co-O +mp-1391681,Al(CoO2)2,-7.1148988257,-1.7221893593000002,0.3734128032,0.3734128032,GGA+U,C2/c,AB2C4_mC28_15_e_ac_2f:Al-Co-O,14.0,AB2C4_tI28_88_a_d_f:Al-Co-O +mp-753184,Al(CoO2)2,-7.4563742929,-2.0636648264,0.0319373361,0.0319373361,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Al-Co-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2c2e_h2i:Al-Co-O, expected Al(Co2O3)2 to be Al(CoO2)2" +mp-1442788,Al(CoO2)2,-7.3539561979,-1.9612467314,0.1343554311,0.1343554311,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Co-O,14.0,AB2C4_cF56_227_a_d_e:Al-Co-O +mp-1185656,Mg16Al12Co,-2.6866933276,-0.0087723429,0.0761127485,0.0761127485,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Co-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a7b4c:Al-Co-Mg, expected Mg46Al39Co to be Mg16Al12Co" +mp-1248317,Al2Co2O7,-7.0317081527,-1.9103801319,0.2791673426,0.2791673426,GGA+U,C2/m,A2B2C7_mC44_12_ace_bdf_3i2j:Al-Co-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_abcd_efgh_13i:Al-Co-O, expected Al2Co2O13 to be Al2Co2O7" +mp-1376528,Al2Co2O7,-6.9706687855,-1.8493407647,0.3402067098,0.3402067098,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Co-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Co-O +mp-2217661,MgAl2(CoO3)2,-7.2183366018,-2.4012275502,0.2263898011,0.2263898011,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Al-Co-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Al-Co-Mg-O +mp-2218061,MgAl2(CoO3)2,-7.2890399873,-2.4719309357,0.1556864157,0.1556864157,GGA+U,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Al-Co-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_hR33_146_2a_2a_a_6b:Al-Co-Mg-O, expected MgAl2(CoO9)2 to be MgAl2(CoO3)2" +mp-2217584,MgAl2(CoO3)2,-7.2544267627,-2.4373177111,0.1902996402,0.1902996402,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Al-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Al-Co-Mg-O +mp-2217789,MgAl2(CoO3)2,-7.2831836818,-2.4660746302,0.1615427211,0.1615427211,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Al-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Al-Co-Mg-O +mp-1238807,Cr2HgS4,-5.7913061486,-0.6262240382,0.2278045686,0.1920260293,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-Hg-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-Hg-S +mp-1238784,Cr2HgS4,-5.9282423543,-0.7631602439,0.0908683629,0.0550898236,GGA,P2/m,A2BC4_mP7_10_ae_c_mn:Cr-Hg-S,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_ce_a_2mn:Cr-Hg-S, expected Cr2HgS6 to be Cr2HgS4" +mp-1238890,Cr2HgS4,-5.9180760571,-0.7529939468,0.10103466,0.0652561207,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Hg-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Hg-S +mp-1238782,Cr2HgS4,-5.7614880334,-0.5964059230000001,0.2576226838,0.2218441445,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Cr-Hg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Cr-Hg-S +mp-1239184,Cr2HgS4,-5.9184434814,-0.7533613711,0.1006672357,0.0648886964,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Hg-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Hg-S +mp-1238794,Cr2HgS4,-5.881915685,-0.7168335746000001,0.1371950321,0.1014164929,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Hg-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Hg-S +mp-1238836,Cr2HgS4,-5.8758159621,-0.7107338518,0.143294755,0.1075162157,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Hg-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Hg-S +mp-15973,Cr2HgS4,-6.0191107171,-0.8540286068,0.0,-0.0357785393,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Hg-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Hg-S +mp-1226292,Cr4(SeS)3,-7.049789775,-0.8988623836,0.003324792,0.003324792,GGA,R3,A4B3C3_hR30_146_4a_b_b:Cr-S-Se,10.0,A4B3C3_hR30_146_4a_b_b:Cr-S-Se +mp-1226386,Cr2HgSe3S,-5.6380511579,-0.7474854999999999,0.0131677981,0.0131677981,GGA,Imm2,A2BCD3_oI28_44_cd_ab_c_c2d:Cr-Hg-S-Se,14.0,A2BCD3_oI28_44_cd_ab_c_c2d:Cr-Hg-S-Se +mp-1226267,Cr2SeS,-7.330604075,-0.5959900039,0.1558326425,0.1558326425,GGA,P-6m2,A2BC_hP4_187_i_a_d:Cr-S-Se,4.0,A2BC_hP4_187_i_a_d:Cr-S-Se +mp-1223907,Hg2SeS,-2.4672741375,-0.4073436189,0.00303209,0.00303209,GGA,P-4m2,A2BC_tP4_115_g_a_c:Hg-S-Se,4.0,A2BC_tP4_115_g_a_c:Hg-S-Se +mp-1226660,Co19(Si2B)4,-7.02919731,-0.4105473284,0.024367714,0.024367714,GGA,C2,A4B19C8_mC62_5_abc_a9c_4c:B-Co-Si,31.0,"Invalid WP multiplicities - A4B19C8_mC62_5_abc_a16c_8c:B-Co-Si, expected Co33(Si4B)4 to be Co19(Si2B)4" +mp-1224984,FeCoB,-7.69795159,-0.2787079981,0.0175851272,0.0175851272,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Co-Fe,6.0,ABC_oF24_69_f_g_h:B-Co-Fe +mp-1225187,Fe6SiB,-8.0146756431,-0.1490710105,0.1182733662,0.1182733662,GGA,Pmc2_1,AB6C_oP16_26_a_ab2c_b:B-Fe-Si,16.0,"Invalid WP multiplicities - AB6C_oP16_26_a_ab3c_b:B-Fe-Si, expected Fe8SiB to be Fe6SiB" +mp-1105372,Fe5SiB2,-7.9895285444,-0.3477525917,0.0018623334,0.0018623334,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Fe-Si,16.0,A2B5C_tI32_140_h_cl_a:B-Fe-Si +mp-1188282,FeCo2B,-7.5443371063,-0.2028249635,0.0321756575,0.0321756575,GGA,Pnma,AB2C_oP16_62_c_d_c:B-Co-Fe,16.0,AB2C_oP16_62_c_d_c:B-Co-Fe +mp-1224999,FeCoB2,-7.6052995425,-0.3710189058,0.019793355,0.019793355,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Co-Fe,8.0,A2BC_oP8_26_ab_a_b:B-Co-Fe +mp-1225207,Fe3Co3B2,-7.734301165,-0.2225760954,0.0166246454,0.0166246454,GGA,P2_1,A2B3C3_mP16_4_2a_3a_3a:B-Co-Fe,16.0,A2B3C3_mP16_4_2a_3a_3a:B-Co-Fe +mp-1105487,Fe4CoSiB2,-7.8006077944,-0.3290447685,0.0466739697,0.0466739697,GGA,I4/mcm,A2BC4D_tI32_140_h_c_l_a:B-Co-Fe-Si,16.0,A2BC4D_tI32_140_h_c_l_a:B-Co-Fe-Si +mp-1188610,Fe5Si2B,-7.8150523187,-0.3300355836,0.039783888,0.039783888,GGA,I4/mcm,AB5C2_tI32_140_a_bk_h:B-Fe-Si,16.0,AB5C2_tI32_140_a_bk_h:B-Fe-Si +mp-1205720,HoMn2SiC,-8.017008579,-0.5049239837,0.0,-0.0596111014,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ho-Mn-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ho-Mn-Si +mp-1212558,Ho2Mn17C3,-8.8520570466,-0.0972809474,0.0060686294,0.0060686294,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Ho-Mn,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Ho-Mn +mp-1212501,Ho12(MnC3)5,-7.8401937191,-0.3642885538,0.0,-0.0379462847,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Ho-Mn,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Ho-Mn +mp-1199972,Ho10Mn13C18,-8.3999909812,-0.3256918017,0.0,-0.0632003526,GGA,I-43m,A18B10C13_cI82_217_eg_cd_ag:C-Ho-Mn,41.0,A18B10C13_cI82_217_eg_cd_ag:C-Ho-Mn +mp-779455,Li7Ti5O12,-7.6419549558,-2.9669472606,0.0143445619,0.0143445619,GGA,C2/m,A7B12C5_mC48_12_aij_2i2j_dgh:Li-O-Ti,24.0,"Invalid WP multiplicities - A7B12C5_mC48_12_a2i2j_2i4j_c2g2h:Li-O-Ti, expected Li13Ti9O20 to be Li7Ti5O12" +mp-530165,Li13Ti22O48,-8.4916695522,-3.2391649766,0.0071068708,0.0071068708,GGA,Cm,A13B48C22_mC166_8_13a_24a12b_10a6b:Li-O-Ti,83.0,"Invalid WP multiplicities - A13B48C22_mC166_8_13a_24a24b_10a12b:Li-O-Ti, expected Li13Ti34O72 to be Li13Ti22O48" +mp-530600,Li14Ti21O48,-8.4030609234,-3.2226836869,0.0119523867,0.0119523867,GGA,Cm,A14B48C21_mC166_8_14a_24a12b_9a6b:Li-O-Ti,83.0,"Invalid WP multiplicities - A14B48C21_mC166_8_14a_24a18b_9a8b:Li-O-Ti, expected Li14Ti25O60 to be Li14Ti21O48" +mp-754225,YbTiO3,-8.589217810000001,-3.7341845239,0.0,-0.180553116,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ti-Yb,,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:O-Ti-Yb, expected YbTiO7 to be YbTiO3" +mp-753164,YbTiO3,-8.538106728,-3.6830734419,0.051111082,-0.129442034,GGA,R-3,A3BC_hR30_148_f_c_c:O-Ti-Yb,,A3BC_hR30_148_f_c_c:O-Ti-Yb +mp-865218,YbTiO3,-8.491997762,-3.6369644759,0.097220048,-0.083333068,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ti-Yb,,A3BC_cP5_221_c_b_a:O-Ti-Yb +mp-1235094,LiTi8O16,-9.1321899032,-3.363394768,0.067537809,0.067537809,GGA,P1,AB16C8_aP25_1_a_16a_8a:Li-O-Ti,25.0,AB16C8_aP25_1_a_16a_8a:Li-O-Ti +mp-1235333,LiTi8O16,-9.163626936,-3.3948318008,0.0361007762,0.0361007762,GGA,P1,AB16C8_aP25_1_a_16a_8a:Li-O-Ti,25.0,AB16C8_aP25_1_a_16a_8a:Li-O-Ti +mp-1232993,LiTi8O16,-9.1593570024,-3.3905618672,0.0403707098,0.0403707098,GGA,P-1,AB16C8_aP25_2_a_8i_4i:Li-O-Ti,25.0,"Invalid WP multiplicities - AB16C8_aP25_2_a_16i_8i:Li-O-Ti, expected LiTi16O32 to be LiTi8O16" +mp-760093,LiTi8O16,-9.1504384874,-3.3816433522,0.0492892248,0.0492892248,GGA,Cmc2_1,AB16C8_oC100_36_a_4a6b_2a3b:Li-O-Ti,50.0,"Invalid WP multiplicities - AB16C8_oC100_36_a_8a22b_4a9b:Li-O-Ti, expected LiTi22O52 to be LiTi8O16" +mp-762351,Li4Ti7O16,-8.5012695341,-3.2401156465,0.0313058481,0.0313058481,GGA,Cm,A4B16C7_mC54_8_2ab_8a4b_3a2b:Li-O-Ti,27.0,"Invalid WP multiplicities - A4B16C7_mC54_8_2ab_8a6b_3a3b:Li-O-Ti, expected Li4Ti9O20 to be Li4Ti7O16" +mp-531820,Li4Ti7O16,-8.5241065639,-3.2629526764,0.0084688183,0.0084688183,GGA,Pnnm,A4B16C7_oP54_58_2g_4g2h_agh:Li-O-Ti,54.0,"Invalid WP multiplicities - A4B16C7_oP54_58_4g_16g10h_2a4g4h:Li-O-Ti, expected Li4Ti13O36 to be Li4Ti7O16" +mp-777167,LiTiO2,-7.841772985,-2.9173249085,0.0626681862,0.0467661106,GGA,P1,AB2C_aP64_1_16a_32a_16a:Li-O-Ti,64.0,AB2C_aP64_1_16a_32a_16a:Li-O-Ti +mp-888867,LiTiO2,-6.0893232305,-1.164875154,1.8151179408,1.7992158652,GGA,P1,AB2C_aP64_1_16a_32a_16a:Li-O-Ti,64.0,AB2C_aP64_1_16a_32a_16a:Li-O-Ti +mp-6944,LiTiO2,-7.8763191887,-2.9518711123,0.0281219825,0.0122199069,GGA,Fd-3m,AB2C_cF64_227_c_e_d:Li-O-Ti,16.0,AB2C_cF64_227_c_e_d:Li-O-Ti +mp-772030,LiTiO2,-7.8974471937,-2.9729991173,0.0069939775,-0.0089080981,GGA,Imma,AB2C_oI32_74_ac_2ef_bd:Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C_oI32_74_a2c_4e2f_b2d:Li-O-Ti, expected Li3Ti3O8 to be LiTiO2" +mp-1222301,LiTiO2,-7.87481663,-2.9503685535,0.0296245412,0.0137224656,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-O-Ti,4.0,AB2C_tP4_123_a_bc_d:Li-O-Ti +mp-38280,LiTiO2,-7.9044411712,-2.9799930948,0.0,-0.0159020756,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Ti,8.0,AB2C_tI16_141_a_e_b:Li-O-Ti +mp-1235941,LiTiO2,-7.8186423525,-2.894194276,0.0857988187,0.0698967431,GGA,R3m,AB2C_hR12_160_a_2a_a:Li-O-Ti,4.0,AB2C_hR12_160_a_2a_a:Li-O-Ti +mp-25417,LiTiO2,-7.8824773275,-2.958029251,0.0219638438,0.0060617681,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-O-Ti,4.0,AB2C_hR12_166_a_c_b:Li-O-Ti +mp-755000,LiTiO2,-7.8499629275,-2.925514851,0.0544782437,0.0385761681,GGA,P6_3mc,AB2C_hP8_186_b_ab_b:Li-O-Ti,8.0,"Invalid WP multiplicities - AB2C_hP8_186_b_a2b_b:Li-O-Ti, expected LiTiO3 to be LiTiO2" +mp-764648,LiTiO2,-7.875043855,-2.9505957785,0.0293973162,0.0134952406,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Li-O-Ti,8.0,AB2C_hP8_194_a_f_c:Li-O-Ti +mp-772151,Li2Ti4O9,-8.6129633663,-3.2849625529,0.0095654173,0.0095654173,GGA,P-3c1,A2B9C4_hP30_165_c_fg_2d:Li-O-Ti,30.0,"Invalid WP multiplicities - A2B9C4_hP30_165_c_6f6g_5d:Li-O-Ti, expected LiTi5O27 to be Li2Ti4O9" +mp-772972,Li2Ti2O5,-8.0275188658,-3.1005996077,0.0552895092,0.0552895092,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Li-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_5e_17e_7e:Li-O-Ti, expected Li5Ti7O17 to be Li2Ti2O5" +mp-756294,Li2Ti2O5,-8.0560014544,-3.1290821963,0.0268069206,0.0268069206,GGA,Ccc2,A2B5C2_oC36_37_d_c2d_d:Li-O-Ti,18.0,"Invalid WP multiplicities - A2B5C2_oC36_37_d_2c3d_d:Li-O-Ti, expected LiTiO4 to be Li2Ti2O5" +mp-772049,Li2Ti2O5,-8.0478624131,-3.120943155,0.0349459619,0.0349459619,GGA,Pbcn,A2B5C2_oP36_60_d_c2d_d:Li-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_oP36_60_d_2c6d_d:Li-O-Ti, expected LiTiO7 to be Li2Ti2O5" +mp-765985,Li5Ti12O24,-8.6879391366,-3.2486452926,0.0356895148,0.0356895148,GGA,Pm,A5B24C12_mP41_6_2abc_4a4b8c_2a2b4c:Li-O-Ti,41.0,"Invalid WP multiplicities - A5B24C12_mP41_6_2abc_4a4b10c_2a2b6c:Li-O-Ti, expected Li5Ti16O28 to be Li5Ti12O24" +mp-685809,Li5Ti12O24,-8.7078225917,-3.2685287477,0.0158060596,0.0158060596,GGA,P3m1,A5B24C12_hP123_156_4a5b6c_6a6b6c18d_3a3b3c9d:Li-O-Ti,123.0,"Invalid WP multiplicities - A5B24C12_hP123_156_4a5b6c_6a6b6c50d_3a3b3c20d:Li-O-Ti, expected Li5Ti23O56 to be Li5Ti12O24" +mp-766828,Li4Ti15O32,-8.8550028039,-3.2792751475,0.1008827027,0.1008827027,GGA,R3m,A4B32C15_hR153_160_4a_8a8b_3a4b:Li-O-Ti,51.0,"Invalid WP multiplicities - A4B32C15_hR153_160_4a_8a21b_3a7b:Li-O-Ti, expected Li4Ti24O71 to be Li4Ti15O32" +mp-759678,Li4Ti15O32,-8.8697226273,-3.2939949708,0.0861628794,0.0861628794,GGA,R-3m,A4B32C15_hR153_166_2c_4c4h_ac2h:Li-O-Ti,51.0,"Invalid WP multiplicities - A4B32C15_hR153_166_3c_7c22h_a2c6h:Li-O-Ti, expected Li6Ti41O146 to be Li4Ti15O32" +mp-766543,Li7Ti11O24,-8.4099914676,-3.1972914362,0.0311060621,0.0288787689,GGA,Pm,A7B24C11_mP42_6_2ab2c_4a4b8c_2ab4c:Li-O-Ti,42.0,"Invalid WP multiplicities - A7B24C11_mP42_6_2ab3c_4a4b13c_2ab5c:Li-O-Ti, expected Li9Ti13O34 to be Li7Ti11O24" +mp-766393,Li7Ti11O24,-8.4405843776,-3.2278843462,0.0005131521,-0.0017141411,GGA,C2/m,A7B24C11_mC84_12_cij_2i5j_aeghj:Li-O-Ti,42.0,"Invalid WP multiplicities - A7B24C11_mC84_12_ci2j_4i14j_b2egh3j:Li-O-Ti, expected Li11Ti21O64 to be Li7Ti11O24" +mp-766823,Li7Ti11O24,-8.4410975298,-3.2283974983,0.0,-0.0022272932,GGA,C2/m,A7B24C11_mC84_12_c3i_6i3j_be2ij:Li-O-Ti,42.0,"Invalid WP multiplicities - A7B24C11_mC84_12_a4i_12i8j_c2e4i3j:Li-O-Ti, expected Li9Ti25O56 to be Li7Ti11O24" +mp-774528,Li11Ti24O48,-8.6551657859,-3.258406532,0.0070042948,0.0070042948,GGA,Cm,A11B48C24_mC166_8_3a4b_8a20b_4a10b:Li-O-Ti,83.0,"Invalid WP multiplicities - A11B48C24_mC166_8_3a8b_8a40b_4a20b:Li-O-Ti, expected Li19Ti44O88 to be Li11Ti24O48" +mp-531914,Li3Ti8O16,-8.764861743099999,-3.2819830723,0.0217429744,0.0217429744,GGA,Pmmn,A3B16C8_oP54_59_ae_4e2fg_c2ef:Li-O-Ti,54.0,"Invalid WP multiplicities - A3B16C8_oP54_59_2a2e_15e8f6g_4c7e4f:Li-O-Ti, expected Li3Ti15O35 to be Li3Ti8O16" +mp-1222545,Li3Ti8O16,-8.7645476652,-3.2816689943,0.0220570524,0.0220570524,GGA,P-4m2,A3B16C8_tP27_115_ag_2j2k_jk:Li-O-Ti,27.0,"Invalid WP multiplicities - A3B16C8_tP27_115_ag_8j7k_4j4k:Li-O-Ti, expected Li3Ti32O60 to be Li3Ti8O16" +mp-685797,Li6Ti9O20,-8.3920200506,-3.2078274913,0.015971106,0.015971106,GGA,C2/m,A6B20C9_mC280_12_12i_20i10j_ad7i5j:Li-O-Ti,140.0,"Invalid WP multiplicities - A6B20C9_mC280_12_21i_38i38j_ac14i10j:Li-O-Ti, expected Li21Ti35O114 to be Li6Ti9O20" +mp-768114,Li6Ti9O20,-8.4048634151,-3.2206708559,0.0031277414,0.0031277414,GGA,C2/m,A6B20C9_mC140_12_ac5i_10i5j_e4i2j:Li-O-Ti,70.0,"Invalid WP multiplicities - A6B20C9_mC140_12_ad10i_19i19j_2e7i5j:Li-O-Ti, expected Li11Ti19O57 to be Li6Ti9O20" +mp-766548,Li4Ti11O24,-8.7696146621,-3.3027779256,0.0397404169,0.0397404169,GGA,P1,A4B24C11_aP39_1_4a_24a_11a:Li-O-Ti,39.0,A4B24C11_aP39_1_4a_24a_11a:Li-O-Ti +mp-767194,Li4Ti11O24,-8.7348939128,-3.2680571764,0.0744611662,0.0744611662,GGA,Cm,A4B24C11_mC78_8_4a_12a6b_5a3b:Li-O-Ti,39.0,"Invalid WP multiplicities - A4B24C11_mC78_8_4a_12a7b_5a4b:Li-O-Ti, expected Li4Ti13O26 to be Li4Ti11O24" +mp-759812,Li4Ti11O24,-8.7494097308,-3.2825729944,0.0599453482,0.0599453482,GGA,C2/m,A4B24C11_mC78_12_2i_6i3j_ae2ij:Li-O-Ti,39.0,"Invalid WP multiplicities - A4B24C11_mC78_12_2i_12i9j_a2f4i2j:Li-O-Ti, expected Li4Ti21O60 to be Li4Ti11O24" +mp-770700,Li2Ti3O7,-8.3598803504,-3.1822851202,0.06025328,0.06025328,GGA,P2_1/m,A2B7C3_mP24_11_2e_7e_3e:Li-O-Ti,24.0,"Invalid WP multiplicities - A2B7C3_mP24_11_3e_13e_5e:Li-O-Ti, expected Li3Ti5O13 to be Li2Ti3O7" +mp-1190132,Li2Ti3O7,-8.4079425562,-3.2303473261,0.0121910742,0.0121910742,GGA,P2_1/m,A2B7C3_mP24_11_2e_7e_3e:Li-O-Ti,24.0,A2B7C3_mP24_11_2e_7e_3e:Li-O-Ti +mp-756560,Li2Ti3O7,-8.3705243475,-3.1929291173,0.0496092829,0.0496092829,GGA,C2/c,A2B7C3_mC48_15_f_e3f_cf:Li-O-Ti,24.0,"Invalid WP multiplicities - A2B7C3_mC48_15_f_2e9f_2af:Li-O-Ti, expected LiTi2O10 to be Li2Ti3O7" +mp-676370,Yb3Ti3O14,-7.1907706955,-2.3128235531,0.4878148398,0.4878148398,GGA,C2/m,A14B3C3_mC40_12_3i2j_af_be:O-Ti-Yb,,"Invalid WP multiplicities - A14B3C3_mC40_12_6i4j_ae_bf:O-Ti-Yb, expected Yb3Ti3O28 to be Yb3Ti3O14" +mp-756645,Li5Ti3O8,-7.5097810825,-2.9594935779,0.0224476084,0.0224476084,GGA,R-3m,A5B8C3_hR48_166_abd_ch_e:Li-O-Ti,16.0,"Invalid WP multiplicities - A5B8C3_hR48_166_ab2d_2ch_e:Li-O-Ti, expected Li8Ti3O10 to be Li5Ti3O8" +mp-1177528,Li3Ti7O14,-8.6938785925,-3.2668429811,0.0120380402,0.0120380402,GGA,C2/c,A3B14C7_mC192_15_3f_14f_ac6f:Li-O-Ti,96.0,"Invalid WP multiplicities - A3B14C7_mC192_15_9f_54f_2a2c21f:Li-O-Ti, expected Li9Ti23O54 to be Li3Ti7O14" +mp-867613,LiTi4O8,-8.9541512279,-3.3338127185,0.031070314,0.031070314,GGA,P1,AB8C4_aP39_1_3a_24a_12a:Li-O-Ti,39.0,AB8C4_aP39_1_3a_24a_12a:Li-O-Ti +mp-1222384,LiTi4O8,-8.9398581023,-3.3195195928,0.0453634396,0.0453634396,GGA,C2,AB8C4_mC26_5_a_4c_2c:Li-O-Ti,13.0,AB8C4_mC26_5_a_4c_2c:Li-O-Ti +mp-756035,LiTi4O8,-8.9385001392,-3.3181616297,0.0467214027,0.0467214027,GGA,Pm,AB8C4_mP13_6_a_4a4b_2a2b:Li-O-Ti,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Li-O-Ti +mp-1235089,LiTi4O8,-8.9536055592,-3.3332670497,0.0316159827,0.0316159827,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Li-O-Ti,13.0,AB8C4_mC26_8_a_8a_4a:Li-O-Ti +mp-1235362,LiTi4O8,-8.9396955531,-3.3193570436,0.0455259888,0.0455259888,GGA,C2/m,AB8C4_mC26_12_a_4i_2i:Li-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_8i_4i:Li-O-Ti, expected LiTi8O16 to be LiTi4O8" +mp-752546,LiTi4O8,-8.88463192,-3.2642934105,0.1005896219,0.1005896219,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Li-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_c2h_ad:Li-O-Ti, expected LiTi4O14 to be LiTi4O8" +mp-758044,Li5Ti8O16,-8.3887837621,-3.1523848018,0.0209128022,0.0209128022,GGA,P1,A5B16C8_aP29_1_5a_16a_8a:Li-O-Ti,29.0,A5B16C8_aP29_1_5a_16a_8a:Li-O-Ti +mp-1235098,LiYb4Ti2O10,-7.4189375241,-3.1056888693,0.1439428069,0.1439428069,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Li-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Li-O-Ti-Yb +mp-1235432,LiYb4Ti2O10,-7.3304002712,-3.0171516163,0.2324800598,0.2324800598,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Li-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Li-O-Ti-Yb +mp-1235239,LiYb4Ti2O10,-7.3788307212,-3.0655820663,0.1840496098,0.1840496098,GGA,C2,AB10C2D4_mC34_5_a_ab4c_c_2c:Li-O-Ti-Yb,,"Invalid WP multiplicities - AB10C2D4_mC34_5_a_ab6c_c_4c:Li-O-Ti-Yb, expected LiYb8Ti2O14 to be LiYb4Ti2O10" +mp-754937,LiTi3O6,-8.819829422,-3.2922763036,0.0313257635,0.0313257635,GGA,Cm,AB6C3_mC20_8_a_6a_3a:Li-O-Ti,10.0,AB6C3_mC20_8_a_6a_3a:Li-O-Ti +mp-752891,LiTi3O6,-8.812546419,-3.2849933006,0.0386087665,0.0386087665,GGA,Fddd,AB6C3_oF80_70_a_eh_bf:Li-O-Ti,20.0,"Invalid WP multiplicities - AB6C3_oF80_70_a_4e4h_2b2f:Li-O-Ti, expected LiTi6O24 to be LiTi3O6" +mp-1190625,Li2Ti6O13,-8.838994699,-3.3391017905,0.0148428312,0.0148428312,GGA,C2/m,A2B13C6_mC42_12_i_a6i_3i:Li-O-Ti,21.0,A2B13C6_mC42_12_i_a6i_3i:Li-O-Ti +mp-1177252,Li4TiO4,-6.5543048207,-2.6300894509,0.0780207743,0.0562982372,GGA,P1,A4B4C_aP72_1_32a_32a_8a:Li-O-Ti,72.0,A4B4C_aP72_1_32a_32a_8a:Li-O-Ti +mp-762319,Li4TiO4,-6.5529117721,-2.6286964023,0.0794138229,0.0576912858,GGA,Pc,A4B4C_mP72_7_16a_16a_4a:Li-O-Ti,72.0,A4B4C_mP72_7_16a_16a_4a:Li-O-Ti +mp-9172,Li4TiO4,-6.632325595,-2.7081102252,0.0,-0.0217225371,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Li-O-Ti,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_eg_f2g_c:Li-O-Ti, expected Li4TiO6 to be Li4TiO4" +mp-759560,LiTi6O12,-9.0797473089,-3.3617399668,0.0465967134,0.0465967134,GGA,P2_1,AB12C6_mP38_4_a_12a_6a:Li-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_mP38_4_a_24a_12a:Li-O-Ti, expected LiTi12O24 to be LiTi6O12" +mp-757527,LiTi6O12,-9.0905680953,-3.3725607531,0.0357759271,0.0357759271,GGA,Pc,AB12C6_mP38_7_a_12a_6a:Li-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_mP38_7_a_23a_9a:Li-O-Ti, expected LiTi9O23 to be LiTi6O12" +mp-34052,Li7Ti7O16,-8.0008970737,-3.0749662882,0.0306398058,0.0306398058,GGA,R3m,A7B16C7_hR90_160_4ab_4a4b_a2b:Li-O-Ti,30.0,"Invalid WP multiplicities - A7B16C7_hR90_160_4a2b_4a9b_a4b:Li-O-Ti, expected Li10Ti13O31 to be Li7Ti7O16" +mp-676704,Yb10Ti6O27,-7.4038326665,-2.8380273153,0.4426314957,0.4426314957,GGA,P1,A27B6C10_aP43_1_27a_6a_10a:O-Ti-Yb,,A27B6C10_aP43_1_27a_6a_10a:O-Ti-Yb +mp-1100865,Yb10Ti6O27,-7.4258952119,-2.8600898606,0.4205689504,0.4205689504,GGA,P1,A27B6C10_aP43_1_27a_6a_10a:O-Ti-Yb,,A27B6C10_aP43_1_27a_6a_10a:O-Ti-Yb +mp-759713,Li8Ti15O32,-8.5587236265,-3.2496726821,0.0109850334,0.0109850334,GGA,R3m,A8B32C15_hR165_160_8a_8a8b_3a4b:Li-O-Ti,55.0,"Invalid WP multiplicities - A8B32C15_hR165_160_8a_8a20b_3a8b:Li-O-Ti, expected Li8Ti27O68 to be Li8Ti15O32" +mp-756565,Li2Ti7O15,-8.8521655883,-3.2985564001,0.0739559252,0.0739559252,GGA,C2/m,A2B15C7_mC48_12_i_a7i_c3i:Li-O-Ti,24.0,"Invalid WP multiplicities - A2B15C7_mC48_12_i_a14i_d5i:Li-O-Ti, expected Li2Ti11O29 to be Li2Ti7O15" +mp-774263,Li13Ti28O56,-8.6473035434,-3.2565371355,0.0062074259,0.0062074259,GGA,R3,A13B56C28_hR291_146_a4b_2a18b_a9b:Li-O-Ti,97.0,"Invalid WP multiplicities - A13B56C28_hR291_146_a9b_2a50b_a24b:Li-O-Ti, expected Li28Ti73O152 to be Li13Ti28O56" +mp-772150,Li2Ti13O22,-9.0578729372,-3.2393217589,0.0597613331,0.0597613331,GGA,Cmce,A2B22C13_oC148_64_f_e2f4g_adf2g:Li-O-Ti,74.0,"Invalid WP multiplicities - A2B22C13_oC148_64_f_2e6f14g_2a4d2f6g:Li-O-Ti, expected LiTi19O36 to be Li2Ti13O22" +mp-767633,Li4Ti9O20,-8.6313372061,-3.2486434533,0.0647898152,0.0647898152,GGA,P1,A4B20C9_aP66_1_8a_40a_18a:Li-O-Ti,66.0,A4B20C9_aP66_1_8a_40a_18a:Li-O-Ti +mp-772090,Li4Ti9O20,-8.668470658,-3.2857769053,0.0276563632,0.0276563632,GGA,I4_1/a,A4B20C9_tI132_88_f_5f_a2f:Li-O-Ti,66.0,"Invalid WP multiplicities - A4B20C9_tI132_88_f_25f_2a5f:Li-O-Ti, expected Li2Ti11O50 to be Li4Ti9O20" +mp-755797,LiTi8O13,-9.1070944359,-3.2261938793,0.0597882607,0.0597882607,GGA,R-3,AB13C8_hR66_148_a_b2f_cf:Li-O-Ti,22.0,"Invalid WP multiplicities - AB13C8_hR66_148_a_b8f_c2f:Li-O-Ti, expected LiTi14O49 to be LiTi8O13" +mp-8390,LiYbO2,-5.8117726175,-2.4762954752,0.1642822887,0.1642822887,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Yb,,AB2C_tI16_141_a_e_b:Li-O-Yb +mp-1235275,LiTi4O6,-8.78140132,-3.038581029,0.0853218459,0.0853218459,GGA,Pm,AB6C4_mP11_6_a_3a3b_2a2b:Li-O-Ti,11.0,AB6C4_mP11_6_a_3a3b_2a2b:Li-O-Ti +mp-1236151,LiTi4O6,-8.7687813036,-3.0259610127,0.0979418623,0.0979418623,GGA,Pm,AB6C4_mP11_6_a_3a3b_2a2b:Li-O-Ti,11.0,AB6C4_mP11_6_a_3a3b_2a2b:Li-O-Ti +mp-772925,Li4Ti5O12,-8.2498808474,-3.1797181767,0.0256848164,0.0256848164,GGA,P-1,A4B12C5_aP42_2_4i_12i_5i:Li-O-Ti,42.0,"Invalid WP multiplicities - A4B12C5_aP42_2_7i_23i_9i:Li-O-Ti, expected Li7Ti9O23 to be Li4Ti5O12" +mp-685194,Li4Ti5O12,-8.274010749,-3.2038480783,0.0015549148,0.0015549148,GGA,C2/c,A4B12C5_mC84_15_cef_6f_a2f:Li-O-Ti,42.0,"Invalid WP multiplicities - A4B12C5_mC84_15_2a2e3f_23f_2c7f:Li-O-Ti, expected Li5Ti8O23 to be Li4Ti5O12" +mp-38468,Li7Ti12O24,-8.4265613293,-3.1514707866,0.0458025706,0.0458025706,GGA,Pm,A7B24C12_mP43_6_3a4b_12a12b_6a6b:Li-O-Ti,43.0,A7B24C12_mP43_6_3a4b_12a12b_6a6b:Li-O-Ti +mp-558256,Li3Ti4O8,-8.1030249353,-2.9775418449,0.127025267,0.127025267,GGA,P2,A3B8C4_mP15_3_2ad_4e_2b2c:Li-O-Ti,15.0,"Invalid WP multiplicities - A3B8C4_mP15_3_2ab_7e_2c2d:Li-O-Ti, expected Li3Ti4O14 to be Li3Ti4O8" +mp-1222595,Li3Ti4O8,-8.1645234177,-3.0390403272,0.0655267847,0.0655267847,GGA,P2_1,A3B8C4_mP30_4_3a_8a_4a:Li-O-Ti,30.0,A3B8C4_mP30_4_3a_8a_4a:Li-O-Ti +mp-755615,Li3Ti4O8,-8.168852116,-3.0433690256,0.0611980863,0.0611980863,GGA,Pm,A3B8C4_mP15_6_2ab_4a4b_2a2b:Li-O-Ti,15.0,A3B8C4_mP15_6_2ab_4a4b_2a2b:Li-O-Ti +mp-761891,Li3Ti4O8,-8.183366514,-3.0578834236,0.0466836883,0.0466836883,GGA,C2/m,A3B8C4_mC30_12_ae_gh2i_bcf:Li-O-Ti,15.0,"Invalid WP multiplicities - A3B8C4_mC30_12_af_2g2h3i_bc2e:Li-O-Ti, expected Li3Ti6O14 to be Li3Ti4O8" +mp-753131,Li3Ti4O8,-8.169753972,-3.0442708816,0.0602962303,0.0602962303,GGA,C2/m,A3B8C4_mC30_12_af_2ij_bce:Li-O-Ti,15.0,"Invalid WP multiplicities - A3B8C4_mC30_12_be_3i2j_acf:Li-O-Ti, expected Li3Ti4O14 to be Li3Ti4O8" +mp-752879,Li3Ti4O8,-8.1850400313,-3.0595569409,0.045010171,0.045010171,GGA,R-3m,A3B8C4_hR45_166_e_ch_ad:Li-O-Ti,15.0,"Invalid WP multiplicities - A3B8C4_hR45_166_e_2c3h_a2d:Li-O-Ti, expected Li3Ti7O22 to be Li3Ti4O8" +mp-772108,LiTi11O20,-9.2381400356,-3.3727303708,0.0129805348,0.0129805348,GGA,P-1,AB20C11_aP64_2_i_20i_11i:Li-O-Ti,64.0,"Invalid WP multiplicities - AB20C11_aP64_2_i_39i_21i:Li-O-Ti, expected LiTi21O39 to be LiTi11O20" +mp-754801,Li3Ti6O13,-8.5485529936,-3.2118859961,0.0689168939,0.0689168939,GGA,C2/m,A3B13C6_mC44_12_ai_b6i_3i:Li-O-Ti,22.0,"Invalid WP multiplicities - A3B13C6_mC44_12_a2i_b11i_5i:Li-O-Ti, expected Li5Ti10O23 to be Li3Ti6O13" +mp-772260,Li10Ti4O13,-7.0654995278,-2.8070495285,0.08404758,0.08404758,GGA,P-1,A10B13C4_aP54_2_10i_13i_4i:Li-O-Ti,54.0,"Invalid WP multiplicities - A10B13C4_aP54_2_19i_25i_7i:Li-O-Ti, expected Li19Ti7O25 to be Li10Ti4O13" +mp-676987,Yb14Ti10O41,-7.7804466142,-3.1139285642,0.205333272,0.205333272,GGA,Cm,A41B10C14_mC130_8_17a12b_4a3b_8a3b:O-Ti-Yb,,"Invalid WP multiplicities - A41B10C14_mC130_8_17a24b_4a5b_8a5b:O-Ti-Yb, expected Yb18Ti14O65 to be Yb14Ti10O41" +mp-1235293,LiTi3O4,-8.5505150138,-2.8777457935,0.0665469669,0.0665469669,GGA,Amm2,AB4C3_oC16_38_a_2ae_ae:Li-O-Ti,8.0,"Invalid WP multiplicities - AB4C3_oC16_38_a_2a2e_ae:Li-O-Ti, expected LiTi3O6 to be LiTi3O4" +mp-1235399,LiTi3O4,-8.0364792113,-2.363709991,0.5805827694,0.5805827694,GGA,Amm2,AB4C3_oC16_38_a_2bd_bd:Li-O-Ti,8.0,"Invalid WP multiplicities - AB4C3_oC16_38_a_2b2d_bd:Li-O-Ti, expected LiTi3O6 to be LiTi3O4" +mp-867744,LiTi3O4,-8.5286110013,-2.855841781,0.0884509794,0.0884509794,GGA,Cmmm,AB4C3_oC16_65_a_gj_bf:Li-O-Ti,8.0,"Invalid WP multiplicities - AB4C3_oC16_65_a_2g2j_bf:Li-O-Ti, expected LiTi3O8 to be LiTi3O4" +mp-22431,Yb2Ti2O7,-8.0843554545,-3.2209898571,0.1737233465,0.1737233465,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ti-Yb,,A7B2C2_cF88_227_af_d_c:O-Ti-Yb +mp-772920,Li8Ti2O7,-6.2939842872,-2.4299144081,0.0878299277,0.0878299277,GGA,P2_1/c,A8B7C2_mP68_14_8e_7e_2e:Li-O-Ti,68.0,"Invalid WP multiplicities - A8B7C2_mP68_14_31e_27e_3e:Li-O-Ti, expected Li31Ti3O27 to be Li8Ti2O7" +mp-755266,Li4Ti3O8,-7.75468041,-3.0283019296,0.0582677607,0.0582677607,GGA,C2/m,A4B8C3_mC30_12_bcf_2ij_ae:Li-O-Ti,15.0,"Invalid WP multiplicities - A4B8C3_mC30_12_bce_4ij_af:Li-O-Ti, expected Li4Ti3O12 to be Li4Ti3O8" +mp-758836,Li4Ti3O8,-7.7167082927,-2.9903298122,0.096239878,0.096239878,GGA,R-3m,A4B8C3_hR45_166_ae_ch_d:Li-O-Ti,15.0,"Invalid WP multiplicities - A4B8C3_hR45_166_a2e_2ch_d:Li-O-Ti, expected Li7Ti3O10 to be Li4Ti3O8" +mp-766834,Li7Ti16O32,-8.6561634709,-3.2382658147,0.036549657,0.036549657,GGA,Cm,A7B32C16_mC110_8_a3b_8a12b_4a6b:Li-O-Ti,55.0,"Invalid WP multiplicities - A7B32C16_mC110_8_a5b_8a18b_4a9b:Li-O-Ti, expected LiTi2O4 to be Li7Ti16O32" +mp-530141,Li7Ti16O32,-8.6823145773,-3.264416921,0.0103985506,0.0103985506,GGA,I-42m,A7B32C16_tI110_121_adi_4i2j_2ij:Li-O-Ti,55.0,"Invalid WP multiplicities - A7B32C16_tI110_121_a2d3i_16i12j_8i3j:Li-O-Ti, expected Li17Ti56O160 to be Li7Ti16O32" +mp-677305,Li17Ti20O40,-8.0398484187,-2.9979123471,0.0548837447,0.0548837447,GGA,P2/m,A17B40C20_mP77_10_b5m3n_10m10n_cd4m5n:Li-O-Ti,77.0,"Invalid WP multiplicities - A17B40C20_mP77_10_c5m8n_19m20n_be10m8n:Li-O-Ti, expected Li27Ti38O78 to be Li17Ti20O40" +mp-1100855,Yb2TiO5,-7.2006961158,-2.7371770992,0.5042755144000001,0.5042755144000001,GGA,P1,A5BC2_aP64_1_40a_8a_16a:O-Ti-Yb,,A5BC2_aP64_1_40a_8a_16a:O-Ti-Yb +mp-685819,Yb2TiO5,-7.3690710388,-2.9055520221,0.3359005914,0.3359005914,GGA,Cm,A5BC2_mC128_8_16a12b_8a_4a6b:O-Ti-Yb,,"Invalid WP multiplicities - A5BC2_mC128_8_16a24b_8a_4a10b:O-Ti-Yb, expected Yb3TiO8 to be Yb2TiO5" +mp-1100856,Yb2TiO5,-7.3866647955,-2.9231457789,0.3183068347,0.3183068347,GGA,Cm,A5BC2_mC128_8_16a12b_8a_4a6b:O-Ti-Yb,,"Invalid WP multiplicities - A5BC2_mC128_8_16a24b_8a_4a10b:O-Ti-Yb, expected Yb3TiO8 to be Yb2TiO5" +mp-753108,Yb2TiO5,-7.520285535,-3.0567665184,0.1846860952,0.1846860952,GGA,Cc,A5BC2_mC32_9_5a_a_2a:O-Ti-Yb,,A5BC2_aP16_1_10a_2a_4a:O-Ti-Yb +mp-881150,Yb2TiO5,-7.5183888325,-3.0548698159,0.1865827977,0.1865827977,GGA,C2/c,A5BC2_mC32_15_e2f_a_f:O-Ti-Yb,,"Invalid WP multiplicities - A5BC2_mC32_15_2e4f_c_f:O-Ti-Yb, expected Yb2TiO10 to be Yb2TiO5" +mp-759302,Yb2TiO5,-7.5804627175,-3.1169437009,0.1245089127,0.1245089127,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ti-Yb,,"Invalid WP multiplicities - A5BC2_oP32_62_17c_c_5c:O-Ti-Yb, expected Yb5TiO17 to be Yb2TiO5" +mp-760698,Yb2TiO5,-7.5124401169,-3.0489211003,0.1925315133,0.1925315133,GGA,Cmcm,A5BC2_oC32_63_c2f_c_f:O-Ti-Yb,,"Invalid WP multiplicities - A5BC2_oC32_63_c4f_c_f:O-Ti-Yb, expected Yb2TiO9 to be Yb2TiO5" +mp-1185417,LiYbO3,-5.462257234,-1.8045377779,0.3237012154,0.3237012154,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Yb,,AB3C_cP5_221_b_c_a:Li-O-Yb +mp-760539,Li2Ti3O6,-8.2840184109,-3.085431679,0.0644350755,0.0644350755,GGA,C2/m,A2B6C3_mC22_12_h_ij_ag:Li-O-Ti,11.0,"Invalid WP multiplicities - A2B6C3_mC22_12_h_2ij_ag:Li-O-Ti, expected Li2Ti3O8 to be Li2Ti3O6" +mp-758089,Li2Ti3O6,-8.3134315473,-3.1148448154,0.0350219391,0.0350219391,GGA,Fddd,A2B6C3_oF88_70_e_fh_ae:Li-O-Ti,22.0,"Invalid WP multiplicities - A2B6C3_oF88_70_e_4f5h_2a2e:Li-O-Ti, expected LiTi3O14 to be Li2Ti3O6" +mp-780233,LiTi2O4,-8.5039444308,-3.1487070387,0.0982303785,0.0867600747,GGA,P1,AB4C2_aP49_1_7a_28a_14a:Li-O-Ti,49.0,AB4C2_aP49_1_7a_28a_14a:Li-O-Ti +mp-760832,LiTi2O4,-8.5013589784,-3.1461215863,0.1008158309,0.0893455271,GGA,P1,AB4C2_aP63_1_9a_36a_18a:Li-O-Ti,63.0,AB4C2_aP63_1_9a_36a_18a:Li-O-Ti +mp-675334,LiTi2O4,-8.4588040914,-3.1035666993,0.1433707179,0.1319004141,GGA,P2/m,AB4C2_mP7_10_a_mn_ce:Li-O-Ti,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_c_m2n_ae:Li-O-Ti, expected LiTi2O6 to be LiTi2O4" +mp-1185486,LiTi2O4,-8.5618097968,-3.2065724046,0.0403650125,0.0288947087,GGA,P2/m,AB4C2_mP28_10_mn_4m4n_2m2n:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_oP28_53_h_12h_4h:Li-O-Ti, expected LiTi4O12 to be LiTi2O4" +mp-752942,LiTi2O4,-8.5124585586,-3.1572211664,0.0897162507,0.078245947,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_ae:Li-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_mP14_11_e_4e4f_ae:Li-O-Ti, expected LiTi2O12 to be LiTi2O4" +mp-977334,LiTi2O4,-8.5699276186,-3.2146902264,0.0322471907,0.020776887,GGA,P2_1/m,AB4C2_mP28_11_2e_8e_4e:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_mP28_11_2e_14e_7e:Li-O-Ti, expected Li2Ti7O14 to be LiTi2O4" +mp-1104112,LiTi2O4,-8.551627385,-3.1963899929,0.0505474243,0.0390771205,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Li-O-Ti,14.0,AB4C2_mC28_12_i_4i_2i:Li-O-Ti +mp-760378,LiTi2O4,-8.5606550164,-3.2054176243,0.0415197929,0.0300494891,GGA,Pmc2_1,AB4C2_oP14_26_a_2a2b_ab:Li-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oP14_26_a_3a3b_ab:Li-O-Ti, expected LiTi2O6 to be LiTi2O4" +mp-1192813,LiTi2O4,-8.5581578643,-3.2029204721,0.044016945,0.0325466412,GGA,Pmn2_1,AB4C2_oP28_31_2a_8a_4a:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_oP28_31_2a_16a_8a:Li-O-Ti, expected LiTi4O8 to be LiTi2O4" +mp-675692,LiTi2O4,-8.5558214043,-3.2005840121,0.046353405,0.0348831012,GGA,Imm2,AB4C2_oI14_44_a_2a2b_ab:Li-O-Ti,7.0,AB4C2_oI14_44_a_2a2b_ab:Li-O-Ti +mp-1367343,LiTi2O4,-8.5580704804,-3.2028330882,0.0441043289,0.0326340252,GGA,Pmna,AB4C2_oP28_53_h_4h_2h:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_oP28_53_h_12h_4h:Li-O-Ti, expected LiTi4O12 to be LiTi2O4" +mp-1193296,LiTi2O4,-8.5762456421,-3.22100825,0.0259291671,0.0144588634,GGA,Pnnm,AB4C2_oP28_58_g_4g_2g:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_oP28_58_g_16g_2g:Li-O-Ti, expected LiTi2O16 to be LiTi2O4" +mp-760594,LiTi2O4,-8.5251258607,-3.1698884686,0.0770489486,0.0655786448,GGA,Imma,AB4C2_oI28_74_a_hi_bc:Li-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_h2i_bc:Li-O-Ti, expected LiTi2O6 to be LiTi2O4" +mp-1045357,LiTi2O4,-8.5342119957,-3.1789746036,0.0679628136,0.0564925098,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Li-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h3i_ce:Li-O-Ti, expected LiTi2O12 to be LiTi2O4" +mp-776170,LiTi2O4,-8.5614825836,-3.2062451914,0.0406922257,0.029221922,GGA,P6_3mc,AB4C2_hP28_186_ab_ab2c_bc:Li-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_hP28_186_a2b_a2b9c_2b3c:Li-O-Ti, expected Li3Ti11O30 to be LiTi2O4" +mp-5670,LiTi2O4,-8.6021748093,-3.2469374171,0.0,-0.0114703038,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Li-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Li-O-Ti +mp-772190,Li6Ti2O7,-6.8574188133,-2.7326626659,0.0852396893,0.0852396893,GGA,P2_1,A6B7C2_mP60_4_12a_14a_4a:Li-O-Ti,60.0,"Invalid WP multiplicities - A6B7C2_mP60_4_23a_27a_7a:Li-O-Ti, expected Li23Ti7O27 to be Li6Ti2O7" +mp-770456,Li6Ti2O7,-6.92349761,-2.7987414625,0.0191608927,0.0191608927,GGA,C2,A6B7C2_mC30_5_3c_2ab2c_c:Li-O-Ti,15.0,"Invalid WP multiplicities - A6B7C2_mC30_12_i2j_af2h2i_i:Li-O-Ti, expected Li10Ti2O11 to be Li6Ti2O7" +mp-770399,Li6Ti2O7,-6.863536549,-2.7387804015,0.0791219537,0.0791219537,GGA,P4_2nm,A6B7C2_tP30_102_cd_acd_c:Li-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_tP30_136_4f5i_2a2f4i_f:Li-O-Ti, expected Li14TiO11 to be Li6Ti2O7" +mp-1176936,Li6Ti2O7,-6.9248795483,-2.8001234009,0.0177789543,0.0177789543,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:Li-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_9e_2a10e_e:Li-O-Ti, expected Li9TiO11 to be Li6Ti2O7" +mp-772055,Li6Ti2O7,-6.9312624283,-2.8065062809,0.0113960743,0.0113960743,GGA,C2/c,A6B7C2_mC60_15_3f_e3f_f:Li-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_9f_2e11f_f:Li-O-Ti, expected Li9TiO12 to be Li6Ti2O7" +mp-729930,Li2TiO3,-6.1622480152,-1.7366807012,1.245909849,1.1962525152,GGA,P-1,A2B3C_aP48_2_abcf6i_12i_degh2i:Li-O-Ti,48.0,"Invalid WP multiplicities - A2B3C_aP48_2_abcf12i_24i_degh3i:Li-O-Ti, expected Li14Ti5O24 to be Li2TiO3" +mp-760017,Li2TiO3,-7.2523456056,-2.8267782916,0.1558122586,0.1061549248,GGA,P-1,A2B3C_aP18_2_3i_b4i_di:Li-O-Ti,18.0,"Invalid WP multiplicities - A2B3C_aP18_2_4i_b7i_d2i:Li-O-Ti, expected Li8Ti5O15 to be Li2TiO3" +mp-1407905,Li2TiO3,-6.5741903117,-2.1486229977,0.8339675525,0.7843102187000001,GGA,P-1,A2B3C_aP18_2_3i_b4i_ei:Li-O-Ti,18.0,"Invalid WP multiplicities - A2B3C_aP18_2_4i_b7i_e2i:Li-O-Ti, expected Li8Ti5O15 to be Li2TiO3" +mp-2931,Li2TiO3,-7.4081578642,-2.9825905502000003,0.0,-0.0496573338,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Li-O-Ti,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_aef_7f_3e:Li-O-Ti, expected Li4Ti3O14 to be Li2TiO3" +mp-676365,Li2TiO3,-7.3738875452,-2.9483202312000003,0.034270319,-0.0153870148,GGA,C2/c,A2B3C_mC96_15_ac3f_6f_bdf:Li-O-Ti,48.0,"Invalid WP multiplicities - A2B3C_mC96_15_2a2c12f_24f_2bd3f:Li-O-Ti, expected Li28Ti9O48 to be Li2TiO3" +mp-36864,Li2TiO3,-7.3973657183,-2.9717984044,0.0107921458,-0.038865188,GGA,C2/c,A2B3C_mC24_15_2e_cf_e:Li-O-Ti,12.0,"Invalid WP multiplicities - A2B3C_mC24_15_4e_2a2f_e:Li-O-Ti, expected Li4TiO6 to be Li2TiO3" +mp-1222656,Li2TiO3,-7.3845047183,-2.9589374044000003,0.0236531458,-0.026004188,GGA,Immm,A2B3C_oI12_71_e_cf_a:Li-O-Ti,6.0,A2B3C_oI12_71_e_cf_a:Li-O-Ti +mp-772521,Li8TiO6,-5.969284317,-2.4461505025,0.0035244373,0.0035244373,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Li-O-Ti,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_2b9c_a3b3c_a:Li-O-Ti, expected Li31TiO16 to be Li8TiO6" +mp-767401,Gd2AsO5,-10.2973435272,-3.104242722,0.0438693509,0.0438693509,GGA,P4/n,AB2C5_tP32_85_2c_g_ab2g:As-Gd-O,32.0,"Invalid WP multiplicities - AB2C5_tP32_85_4c_g_2a2b11g:As-Gd-O, expected GdAsO12 to be Gd2AsO5" +mp-1189831,Gd3FeO6,-11.38115461,-3.3433025903,0.0057924683,0.0057924683,GGA+U,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Fe-Gd-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Fe-Gd-O +mp-757238,GdAsO4,-9.182402975,-2.7620703933,0.0461704375,-0.1576902678,GGA,P2_1/m,ABC4_mP12_11_e_e_2ef:As-Gd-O,12.0,"Invalid WP multiplicities - ABC4_mP12_11_e_e_3e2f:As-Gd-O, expected GdAsO7 to be GdAsO4" +mp-754079,GdAsO4,-9.1824620317,-2.76212945,0.0461113808,-0.1577493244,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Gd-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_15e:As-Gd-O, expected GdAsO15 to be GdAsO4" +mp-753958,GdAsO4,-9.13287923,-2.7125466483,0.0956941825,-0.1081665228,GGA,Imma,ABC4_oI24_74_e_a_hi:As-Gd-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_e_a_2h3i:As-Gd-O, expected GdAsO10 to be GdAsO4" +mp-753911,GdAsO4,-9.2078237392,-2.7874911575,0.0207496733,-0.1831110319,GGA,I4_1/a,ABC4_tI24_88_a_b_f:As-Gd-O,12.0,ABC4_tI24_88_a_b_f:As-Gd-O +mp-753976,GdAsO4,-9.1698406833,-2.7495081017,0.0587327292,-0.1451279761,GGA,P4/nbm,ABC4_tP12_125_c_b_m:As-Gd-O,12.0,ABC4_tP12_125_c_b_m:As-Gd-O +mp-776200,GdAsO4,-9.2285734125,-2.8082408308,0.0,-0.2038607053,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Gd-O,12.0,ABC4_tI24_141_a_b_h:As-Gd-O +mp-1078679,GdFeAsO,-9.708874615,-1.6708869734,0.2756983346,0.2756983346,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Fe-Gd-O,8.0,ABCD_tP8_129_c_a_c_b:As-Fe-Gd-O +mp-767515,Gd3AsO7,-10.6601207936,-3.2497293297,0.0530271091,0.0530271091,GGA,P-1,AB3C7_aP22_2_ab_3i_7i:As-Gd-O,22.0,"Invalid WP multiplicities - AB3C7_aP22_2_ab_5i_13i:As-Gd-O, expected Gd5AsO13 to be Gd3AsO7" +mp-767398,Gd3AsO7,-10.6768898105,-3.2664983465,0.0362580923,0.0362580923,GGA,C222_1,AB3C7_oC44_20_a_ac_3b2c:As-Gd-O,22.0,"Invalid WP multiplicities - AB3C7_oC44_20_a_a2c_6b3c:As-Gd-O, expected Gd5AsO12 to be Gd3AsO7" +mp-768254,Gd3AsO7,-10.678443867,-3.2680524031,0.0347040357,0.0347040357,GGA,Pnma,AB3C7_oP44_62_c_cd_c3d:As-Gd-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_3c2d_4c9d:As-Gd-O, expected Gd7AsO22 to be Gd3AsO7" +mp-753953,GdAsO3,-9.474184692,-2.7591233362,0.048771132,0.048771132,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:As-Gd-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_9e:As-Gd-O, expected GdAsO9 to be GdAsO3" +mp-600576,GdFeO3,-10.2751785465,-2.7979366297,0.004078319,0.004078319,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Gd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c3d:Fe-Gd-O, expected GdFeO9 to be GdFeO3" +mp-757215,Gd5(AsO6)2,-10.4809773637,-3.1620767034,0.0755663182,0.0755663182,GGA,C2/m,A2B5C12_mC38_12_h_a2i_2i2j:As-Gd-O,19.0,"Invalid WP multiplicities - A2B5C12_mC38_12_h_a4i_3i4j:As-Gd-O, expected Gd9(AsO11)2 to be Gd5(AsO6)2" +mp-767404,Gd2As4O11,-8.3249652938,-2.3718891807,0.0897655019,0.0897655019,GGA,C2/c,A4B2C11_mC68_15_2f_f_e5f:As-Gd-O,34.0,"Invalid WP multiplicities - A4B2C11_mC68_15_7f_f_2e19f:As-Gd-O, expected GdAs7O20 to be Gd2As4O11" +mp-768273,Gd3As5O12,-8.7800354572,-2.5358242932,0.0,-0.0084075455,GGA,I-43m,A5B3C12_cI80_217_ce_d_2g:As-Gd-O,40.0,"Invalid WP multiplicities - A5B3C12_cI80_217_3c4e_d_6g:As-Gd-O, expected Gd(AsO2)6 to be Gd3As5O12" +mp-1178271,Gd4As2O9,-10.488944716,-3.1460831046,0.024571597,0.024571597,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:As-Gd-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_7e_11e_35e:As-Gd-O, expected Gd11(AsO5)7 to be Gd4As2O9" +mp-557370,Gd3Fe5O12,-8.1836295066,-0.9866926414,1.5417822525,1.5417822525,GGA+U,Ia-3d,A5B3C12_cI160_230_ad_c_h:Fe-Gd-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_6a6d_c_h:Fe-Gd-O, expected Gd(Fe5O2)2 to be Gd3Fe5O12" +mp-780370,Sm3Al5O12,-8.2569213191,-3.6447262146,0.0,-0.0139790085,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Al-O-Sm,80.0,"Invalid WP multiplicities - A5B12C3_cI160_230_4a5d_h_c:Al-O-Sm, expected Sm3Al23O12 to be Sm3Al5O12" +mp-1209040,Sm3Sc2Al3O12,-8.6606526295,-3.7897681975,0.0,-0.0234755832,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Sm,80.0,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Sm +mp-7405,SmAlO3,-8.3594037665,-3.6985581468,0.0,-0.0053623303,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Al-O-Sm +mp-1187025,SmAlO3,-8.354219321,-3.6933737012,0.0051844455,-0.0001778848,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Al-O-Sm +mp-1208969,Sm4Al2O9,-8.4835349257,-3.7578219523,0.0,-0.0045445733,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Sm,60.0,A2B9C4_mP60_14_2e_9e_4e:Al-O-Sm +mp-4471,ScAlO3,-8.654007197,-3.6703849832,0.0280202174,0.0280202174,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Sc,20.0,AB3C_oP20_62_a_cd_c:Al-O-Sc +mp-31118,SmScO3,-9.1002521105,-3.9220278357,0.0,-0.0059219055,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sc-Sm,20.0,A3BC_oP20_62_cd_a_c:O-Sc-Sm +mp-1094091,Sm2Sc2O5,-8.7124094767,-3.5084590282,0.1318386311,0.1318386311,GGA,Ima2,A5B2C2_oI36_46_b2c_ab_c:O-Sc-Sm,18.0,A5B2C2_oI36_46_b2c_ab_c:O-Sc-Sm +mp-1202414,Nd10Se14O,-6.3425711278,-2.2797341789,0.0059792636,0.0059792636,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:Nd-O-Se,100.0,A10BC14_tI200_142_f2g_a_e3g:Nd-O-Se +mp-13971,Nd2SeO2,-7.962177038,-3.377060285,0.0,-0.1313840454,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Nd-O-Se,5.0,A2B2C_hP5_164_d_d_a:Nd-O-Se +mp-1210071,Nd2(SeO3)3,-6.9002143257,-2.2899123472,0.0,-0.1965923816,GGA,Pnma,A2B9C3_oP56_62_d_c4d_cd:Nd-O-Se,56.0,A2B9C3_oP56_62_d_c4d_cd:Nd-O-Se +mp-1186280,Nd3Ti,-5.2917508725,0.258232706,0.258232706,0.258232706,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Ti,4.0,A3B_tI8_139_ad_b:Nd-Ti +mp-1186282,Nd3Ti,-5.2967902775,0.253193301,0.253193301,0.253193301,GGA,Pm-3m,A3B_cP4_221_c_a:Nd-Ti,4.0,A3B_cP4_221_c_a:Nd-Ti +mp-557587,Nd4Ti9O24,-9.2744770875,-3.6298136564,0.013880396,0.013880396,GGA,Fddd,A4B24C9_oF592_70_2eh_2f11h_e4h:Nd-O-Ti,148.0,"Invalid WP multiplicities - A4B24C9_oF592_70_7e5h_7f84h_4e25h:Nd-O-Ti, expected Nd17Ti54O175 to be Nd4Ti9O24" +mp-654139,Nd2Ti4O11,-9.2756734912,-3.6561535644,0.0,-0.0052998526,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Nd-O-Ti,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_2e19f_6f:Nd-O-Ti, expected NdTi6O20 to be Nd2Ti4O11" +mp-1210776,Nd5Ti5O17,-9.165718029,-3.7060178313,0.0031552469,0.0031552469,GGA,P2_1/c,A5B17C5_mP108_14_5e_17e_ab4e:Nd-O-Ti,108.0,A5B17C5_mP108_14_5e_17e_ab4e:Nd-O-Ti +mp-532477,Nd9Ti10O30,-9.1285518462,-3.6128598381,0.023033746,0.023033746,GGA,P1,A9B30C10_aP98_1_18a_60a_20a:Nd-O-Ti,98.0,A9B30C10_aP98_1_18a_60a_20a:Nd-O-Ti +mp-1173643,Nd11Ti16O48,-9.1385141225,-3.588933427,0.0943107504,0.0943107504,GGA,Amm2,A11B48C16_oC300_38_2a10c_16cde15f_8f:Nd-O-Ti,150.0,"Invalid WP multiplicities - A11B48C16_oC300_38_2a15c_28c2d2e54f_29f:Nd-O-Ti, expected Nd8Ti29O70 to be Nd11Ti16O48" +mp-1173610,Nd19Ti20O60,-9.0985853597,-3.5904443069000003,0.0322183675,0.0322183675,GGA,P1,A19B60C20_aP99_1_19a_60a_20a:Nd-O-Ti,99.0,A19B60C20_aP99_1_19a_60a_20a:Nd-O-Ti +mp-1209851,Nd3(SeO)2,-7.38964287,-2.9339796307,0.0685805671,0.0685805671,GGA,C2/m,A3B2C2_mC42_12_a4i_3i_3i:Nd-O-Se,,A3B2C2_mC42_12_a4i_3i_3i:Nd-O-Se +mp-29260,Ti(SeO3)2,-6.9284862939,-1.9765477117,0.0,-0.0390577817,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:O-Se-Ti,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_4e_e_a:O-Se-Ti, expected Ti(SeO4)2 to be Ti(SeO3)2" +mp-3119,NdTiO3,-9.06843503,-3.5676939134,0.0420024695,0.0420024695,GGA,Pnma,AB3C_oP20_62_c_cd_a:Nd-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Nd-O-Ti +mp-553278,Nd4Se3O4,-7.6215272673,-3.1354291756,0.0,-0.0323379882,GGA,Amm2,A4B4C3_oC22_38_abc_abc_ac:Nd-O-Se,11.0,"Invalid WP multiplicities - A4B4C3_oC22_38_abc_ab2c_a2c:Nd-O-Se, expected Nd4Se5O6 to be Nd4Se3O4" +mp-1200225,Nd2(SeO4)3,-6.4066872641,-1.737022921,0.1487872473,0.1487872473,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Nd-O-Se,34.0,A2B12C3_mC68_15_f_6f_ef:Nd-O-Se +mp-17904,Nd2TiO5,-9.0556261769,-3.7849723721,0.0,-0.037400548,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Nd-O-Ti,32.0,A2B5C_oP32_62_2c_5c_c:Nd-O-Ti +mp-1217631,Ti12Se16O3,-6.8219907029,-1.482617994,0.2773298298,0.2773298298,GGA,Cm,A3B16C12_mC62_8_3a_8a4b_6a3b:O-Se-Ti,31.0,A3B16C12_mC62_8_3a_8a4b_6a3b:O-Se-Ti +mp-755364,NdSeO,-7.2783661467,-2.8747836062000003,0.0,-0.0006401952,GGA,Cmce,ABC_oC24_64_d_e_f:Nd-O-Se,12.0,ABC_oC24_64_d_e_f:Nd-O-Se +mp-1198525,Nd(SeO4)3,-5.9422022766,-1.2786931265,0.0588060262,0.0588060262,GGA,P6_3/m,AB12C3_hP32_176_c_2hi_h:Nd-O-Se,32.0,AB12C3_hP32_176_c_2hi_h:Nd-O-Se +mp-531661,Nd10Ti12O39,-9.0503034766,-3.5527913739,0.1579134292,0.1579134292,GGA,P1,A10B39C12_aP61_1_10a_39a_12a:Nd-O-Ti,61.0,A10B39C12_aP61_1_10a_39a_12a:Nd-O-Ti +mp-12193,Nd2Ti2O7,-9.1821541341,-3.731781418,0.0,-0.0131702498,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Nd-O-Ti,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_4a_17a_4a:Nd-O-Ti, expected Nd4Ti4O17 to be Nd2Ti2O7" +mp-555785,Nd2Ti2O7,-9.1419957409,-3.6916230248,0.0401583932,0.0269881433,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_a2f_d:Nd-O-Ti, expected Nd2Ti2O13 to be Nd2Ti2O7" +mp-1220252,Nd3Ti4O12,-9.1740039237,-3.6347052448,0.0408158564,0.0408158564,GGA,Amm2,A3B12C4_oC38_38_2ab_2cdef_f:Nd-O-Ti,19.0,A3B12C4_oC38_38_2ab_2cdef_f:Nd-O-Ti +mp-582794,Nd3Ti4O12,-9.2128068534,-3.6735081745,0.0020129267,0.0020129267,GGA,Pnma,A3B12C4_oP76_62_3c_4c4d_2d:Nd-O-Ti,76.0,"Invalid WP multiplicities - A3B12C4_oP76_62_8c_16c30d_10d:Nd-O-Ti, expected Nd2Ti5O19 to be Nd3Ti4O12" +mp-18647,Nd3Ti3(SeO4)2,-8.6361907434,-3.3514250564,0.0,-0.025544264,GGA,P2_1/m,A3B8C2D3_mP32_11_3e_8e_2e_3e:Nd-O-Se-Ti,32.0,"Invalid WP multiplicities - A3B8C2D3_mP32_11_3e_10e_3e_5e:Nd-O-Se-Ti, expected Nd3Ti5Se3O10 to be Nd3Ti3(SeO4)2" +mp-1187529,TlSiO3,-6.38847278,-1.8628673179,0.5340375676,0.5340375676,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Tl,5.0,A3BC_cP5_221_c_b_a:O-Si-Tl +mp-1201442,Tl4Si5O12,-7.2073338655,-2.6388849478000003,0.0,-0.0194836282,GGA,C2/c,A12B5C4_mC84_15_6f_e2f_2f:O-Si-Tl,42.0,A12B5C4_mC84_15_6f_e2f_2f:O-Si-Tl +mp-1205877,CsTlO,-3.8994102283,-1.1644988183,0.0,-0.1072173752,GGA,C2/m,ABC_mC12_12_i_i_i:Cs-O-Tl,6.0,ABC_mC12_12_i_i_i:Cs-O-Tl +mp-768537,Cs3TlO3,-4.190037715,-1.3487639441,0.0105979114,-0.122958655,GGA,C2/m,A3B3C_mC28_12_ghi_ij_i:Cs-O-Tl,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_gh2i_2ij_i:Cs-O-Tl, expected Cs4TlO4 to be Cs3TlO3" +mp-756122,Cs3TlO3,-4.2006356264,-1.3593618555,0.0,-0.1335565664,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Cs-O-Tl,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:Cs-O-Tl, expected Cs9TlO9 to be Cs3TlO3" +mp-1019713,Cs4Si3O8,-6.7582173595,-2.7961458083,0.0,-0.0167039206,GGA,P-1,A4B8C3_aP60_2_8i_16i_6i:Cs-O-Si,60.0,A4B8C3_aP60_2_8i_16i_6i:Cs-O-Si +mp-561017,Cs8Tl8O,-2.1410391312,-0.3168595511,0.0,-0.0855176977,GGA,R-3,A8BC8_hR51_148_cf_a_cf:Cs-O-Tl,17.0,"Invalid WP multiplicities - A8BC8_hR51_148_cf_a_2c2f:Cs-O-Tl, expected Cs8Tl16O to be Cs8Tl8O" +mp-1199833,Cs10Tl6SiO4,-3.3312163376,-1.0292184578,0.0,-0.0374229609,GGA,P2_1/c,A10B4CD6_mP84_14_10e_4e_e_6e:Cs-O-Si-Tl,84.0,A10B4CD6_mP84_14_10e_4e_e_6e:Cs-O-Si-Tl +mp-1202483,CsSi3O7,-7.595694157,-2.8867689352,0.0789696488,0.0789696488,GGA,P2_12_12_1,AB7C3_oP44_19_a_7a_3a:Cs-O-Si,44.0,AB7C3_oP44_19_a_7a_3a:Cs-O-Si +mp-1178388,CsTlO2,-4.54122441,-1.2533686747,0.0181035952,0.0181035952,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-O-Tl,8.0,AB2C_hP8_194_c_f_a:Cs-O-Tl +mp-1185544,CsTlO3,-4.37959604,-0.7599737095,0.3541727612,0.3541727612,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Tl,5.0,AB3C_cP5_221_a_c_b:Cs-O-Tl +mp-1216932,Tl6Si2O7,-5.741024576,-1.7641368481000002,0.141770625,0.0746158198,GGA,P3,A7B2C6_hP15_143_a2d_ab_2d:O-Si-Tl,15.0,A7B2C6_hP15_143_a2d_ab_2d:O-Si-Tl +mp-27228,Tl6Si2O7,-5.882795201,-1.9059074731,0.0,-0.0671548052,GGA,P-3,A7B2C6_hP30_147_d2g_2d_2g:O-Si-Tl,30.0,"Invalid WP multiplicities - A7B2C6_hP30_147_d3g_3d_2g:O-Si-Tl, expected Tl6Si3O10 to be Tl6Si2O7" +mp-771255,Cs4SiO4,-5.4085811925,-2.2092831521,0.0,-0.0206932697,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Cs-O-Si,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_15e_e:Cs-O-Si, expected Cs15SiO15 to be Cs4SiO4" +mp-1178463,Cs4SiO4,-5.4024411331,-2.2031430927,0.0061400594,-0.0145532103,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Cs-O-Si,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_13e_e:Cs-O-Si, expected Cs15SiO13 to be Cs4SiO4" +mp-1192166,Cs4Tl2O,-2.4551994286,-0.5618302153,0.0232322404,0.0232322404,GGA,R-3m,A4BC2_hR63_166_2h_ac_h:Cs-O-Tl,21.0,A4BC2_hR63_166_2h_ac_h:Cs-O-Tl +mp-1218127,Tl32Si8O37,-5.5755191235,-1.6529917566,0.0608887505,0.0608887505,GGA,P1,A37B8C32_aP77_1_37a_8a_32a:O-Si-Tl,77.0,A37B8C32_aP77_1_37a_8a_32a:O-Si-Tl +mp-505734,Cs2SiO3,-6.2863255744,-2.6102940898,0.0,-0.017972667,GGA,P2_1/c,A2B3C_mP72_14_6e_9e_3e:Cs-O-Si,72.0,"Invalid WP multiplicities - A2B3C_mP72_14_20e_32e_9e:Cs-O-Si, expected Cs20Si9O32 to be Cs2SiO3" +mp-18315,Cs6Si2O7,-5.7784884553,-2.3884970373,0.0,-0.0188095101,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:Cs-O-Si,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_4e_a5e_e:Cs-O-Si, expected Cs8Si2O11 to be Cs6Si2O7" +mp-581173,Cs10Si7O9,-5.3470660028,-1.8297026054,0.0,-0.0080440138,GGA,P2/c,A10B9C7_mP104_13_10g_ef8g_ef6g:Cs-O-Si,104.0,"Invalid WP multiplicities - A10B9C7_mP104_13_36g_2e2f29g_2ef22g:Cs-O-Si, expected Cs72Si47O62 to be Cs10Si7O9" +mp-562345,Cs2Si2O5,-7.0449720153,-2.8922070863,0.0,-0.0174135646,GGA,P2_1/c,A2B5C2_mP72_14_4e_10e_4e:Cs-O-Si,72.0,"Invalid WP multiplicities - A2B5C2_mP72_14_11e_36e_13e:Cs-O-Si, expected Cs11Si13O36 to be Cs2Si2O5" +mp-1213568,CsTl3O5,-4.8383109664,-1.2031137032,0.0,-0.0323352086,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Cs-O-Tl,36.0,AB5C3_oP36_62_c_5c_3c:Cs-O-Tl +mp-1111483,Rb2CuPdF6,-4.498744798,-2.227841755,0.0228212695,0.0228212695,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Pd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Pd-Rb +mp-1206438,Rb2CuF6,-4.2251590622,-2.2774758822,0.0,-0.1713260544,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:Cu-F-Rb,9.0,AB6C2_cF36_225_a_e_c:Cu-F-Rb +mp-8201,Rb3PdF5,-4.4644642539,-2.50014438,0.0,-0.02107776,GGA,P4/mbm,A5BC3_tP18_127_ak_c_bg:F-Pd-Rb,18.0,A5BC3_tP18_127_ak_c_bg:F-Pd-Rb +mp-8858,RbCuF3,-4.501472442,-2.338636913,0.0,-0.036091242,GGA,I4/mcm,AB3C_tI20_140_d_bh_a:Cu-F-Rb,10.0,AB3C_tI20_140_d_bh_a:Cu-F-Rb +mp-554601,RbCuF3,-4.491941972,-2.329106443,0.00953047,-0.026560772,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-F-Rb,5.0,AB3C_cP5_221_b_c_a:Cu-F-Rb +mp-1113827,Rb3PdF6,-4.407311116,-2.4482753327,0.0455880537,0.0455880537,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Pd-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Pd-Rb +mp-8958,RbPd2F5,-4.5016832194,-1.8894716531,0.0,-0.0120529721,GGA,Imma,A5B2C_oI32_74_ej_ac_e:F-Pd-Rb,16.0,"Invalid WP multiplicities - A5B2C_oI32_74_e2j_ac_e:F-Pd-Rb, expected RbPd2F9 to be RbPd2F5" +mp-615754,RbCuPdF5,-4.5142468241,-2.0371196503,0.0,-0.0055865297,GGA,Pnma,AB5CD_oP32_62_a_c2d_c_c:Cu-F-Pd-Rb,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_a_4c13d_c_c:Cu-F-Pd-Rb, expected RbCuPdF30 to be RbCuPdF5" +mp-14088,Rb2PdF6,-4.4707461244,-2.4029879289,0.0,-0.2610976611,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:F-Pd-Rb,9.0,A6BC2_cF36_225_e_a_c:F-Pd-Rb +mp-1025177,Rb2CuF4,-4.4704040157,-2.512376775,0.0,-0.02062513,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-F-Rb,7.0,AB4C2_tI14_139_a_ce_e:Cu-F-Rb +mp-9060,RbPdF3,-4.498189628,-2.119219071,0.043470065,0.043470065,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Pd-Rb,5.0,A3BC_cP5_221_c_b_a:F-Pd-Rb +mp-1112542,CsTlI3,-2.647737672,-1.1121087583,0.0602546798,0.0602546798,GGA,Fm-3m,AB3C_cF40_225_c_e_ab:Cs-I-Tl,10.0,AB3C_cF40_225_c_e_ab:Cs-I-Tl +mp-1112139,Cs2NaTlI6,-2.645197828,-1.2135806996,0.0765989498,0.0765989498,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Tl +mp-28332,CsTlI4,-2.5538965446,-1.0286447248,0.0397479983,0.0397479983,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-I-Tl,24.0,AB4C_mP24_14_e_4e_e:Cs-I-Tl +mp-1112949,Cs3TlI6,-2.620475435,-1.2315705987,0.1137677507,0.1137677507,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-I-Tl,10.0,A3B6C_cF40_225_ac_e_b:Cs-I-Tl +mp-1111774,Na3TlI6,-2.428016977,-0.9109752643,0.245960856,0.245960856,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Na-Tl,10.0,A6B3C_cF40_225_e_ac_b:I-Na-Tl +mp-1029531,Sr3ReN3,-6.9055442771,-0.8309025171000001,0.0,-0.060165516,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Re-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Re-Sr +mp-1245971,SrReN2,-8.3627567037,-0.6610040817,0.0753669829,0.0753669829,GGA,Cmce,A2BC_oC32_64_ef_f_f:N-Re-Sr,16.0,A2BC_oC32_64_ef_f_f:N-Re-Sr +mp-29754,SrLiN,-4.5952268067,-0.6169230583,0.0,-0.0174018721,GGA,P4_2/mmc,ABC_tP6_131_a_c_f:Li-N-Sr,6.0,ABC_tP6_131_a_c_f:Li-N-Sr +mp-1218743,Sr2LiN,-3.77430543,-0.3682042554,0.1317498917,0.1317498917,GGA,I4mm,ABC2_tI8_107_a_a_2a:Li-N-Sr,4.0,ABC2_tI8_107_a_a_2a:Li-N-Sr +mp-1246483,Li6ReN4,-5.9279985864,-0.7239945786,0.0091516602,0.0091516602,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-Re,22.0,A6B4C_tP22_137_df_g_a:Li-N-Re +mp-10556,Sr2LiReN4,-7.3894498269,-1.0046477446,0.0,-0.1735635605,GGA,P2_1/m,AB4CD2_mP16_11_e_2ef_e_2e:Li-N-Re-Sr,16.0,AB4CD2_mP16_11_e_2ef_e_2e:Li-N-Re-Sr +mp-1245455,LiRe2N3,-8.8908446508,-0.2562676489,0.0944868334,0.0944868334,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Re,12.0,AB3C2_oC24_36_a_ab_b:Li-N-Re +mp-1247439,Sr3Re3N5,-8.1150589209,-0.4710101445,0.2689183113,0.2689183113,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Re-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Re-Sr +mp-1246647,Li2ReN2,-6.98971497,-0.4026424163,0.2683844986,0.2683844986,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Re,5.0,A2B2C_hP5_164_d_d_a:Li-N-Re +mp-1246201,Sr5(ReN3)2,-7.2243955385,-0.8124346779,0.0344919663,0.0344919663,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Re-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Re-Sr +mp-1247506,Li(ReN2)3,-8.8947246975,0.0314226997,0.2728486185,0.2728486185,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Li-N-Re,20.0,AB6C3_mP20_14_a_3e_be:Li-N-Re +mp-1246057,Sr3(ReN2)2,-7.4960258183,-0.4623019928,0.3301981512,0.3301981512,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Re-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Re-Sr +mp-1246037,Sr3(ReN2)2,-7.6034275914,-0.5697037658,0.2227963781,0.2227963781,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Re-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Re-Sr +mp-1247494,Li7ReN4,-5.4974285325,-0.5680146199,0.104036099,0.104036099,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Re,96.0,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Re +mp-3838,Li5ReN4,-6.3399729845,-0.8064608627000001,0.0,-0.1318019174,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Li-N-Re,20.0,"Invalid WP multiplicities - A5B4C_oP20_59_ag_2e2f_b:Li-N-Re, expected Li5ReN8 to be Li5ReN4" +mp-1246502,Li3ReN2,-6.2571536529,-0.4497727138,0.2222780051,0.2222780051,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-Re,24.0,A3B2C_tI48_141_eg_h_e:Li-N-Re +mp-1245540,LiReN2,-8.1249376506,-0.3683276752,0.0906698749,0.0906698749,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Li-N-Re,16.0,AB2C_oP16_33_a_2a_a:Li-N-Re +mp-1245517,LiReN2,-8.1540433003,-0.3974333249,0.0615642252,0.0615642252,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Li-N-Re,64.0,AB2C_oP64_61_2c_4c_2c:Li-N-Re +mp-1246145,LiReN2,-8.1400673138,-0.3834573383,0.0755402117,0.0755402117,GGA,I-42d,AB2C_tI16_122_a_d_b:Li-N-Re,8.0,AB2C_tI16_122_a_d_b:Li-N-Re +mp-1029872,Sr2ReN3,-7.6711212704,-0.8656214593,0.0,-0.0764895242,GGA,C2/c,A3BC2_mC48_15_2e2f_f_2f:N-Re-Sr,24.0,A3BC2_mC48_15_2e2f_f_2f:N-Re-Sr +mp-1246473,Sr4ReN4,-6.3155210544,-0.4768009769,0.3259293694,0.3259293694,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:N-Re-Sr,36.0,A4BC4_oP36_62_4c_c_4c:N-Re-Sr +mp-989623,SrReN3,-8.5572458865,-0.7285448038,0.0,-0.1374072406,GGA,C2/c,A3BC_mC40_15_3f_f_2e:N-Re-Sr,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_3e:N-Re-Sr, expected Sr3(ReN9)2 to be SrReN3" +mp-1246394,SrRe7N10,-9.7031209617,-0.1383357951,0.1551205929,0.1551205929,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Re-Sr,36.0,A10B7C_mP36_7_10a_7a_a:N-Re-Sr +mp-15845,SrLi4N2,-4.2549081314,-0.5408831643,0.0,-0.0154632729,GGA,I4_1/amd,A4B2C_tI28_141_2e_e_a:Li-N-Sr,14.0,"Invalid WP multiplicities - A4B2C_tI28_141_4e_e_a:Li-N-Sr, expected SrLi8N2 to be SrLi4N2" +mp-1245695,Sr7ReN6,-6.0201707321,-0.7137456673,0.04572899,0.04572899,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Re-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Re-Sr +mp-1213252,CsY2Cl7,-5.3726610665,-2.6958509446,0.0,-0.0173266455,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Y,40.0,A7BC2_oP40_62_c3d_c_2c:Cl-Cs-Y +mp-1112341,Cs3YCl6,-4.507559606,-2.483169787,0.0273402703,0.0273402703,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Cs-Y,10.0,A6B3C_cF40_225_e_ac_b:Cl-Cs-Y +mp-1192829,Cs3Y2Cl9,-4.9076298164,-2.6036312962,0.0,-0.0003143737,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Cl-Cs-Y,28.0,A9B3C2_hR84_167_ef_e_c:Cl-Cs-Y +mp-984762,CsY,-2.96405465,0.7168820927,0.7168820927,0.7168820927,GGA,P-6m2,AB_hP2_187_a_d:Cs-Y,2.0,AB_hP2_187_a_d:Cs-Y +mp-1213783,Cs2YCl5,-4.7618949353,-2.5744000406,0.0,-0.0143538909,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Y,32.0,A5B2C_oP32_62_a2cd_2c_c:Cl-Cs-Y +mp-1112909,Cs2YCuCl6,-4.504249395,-2.1594791463,0.0401926905,0.0401926905,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Cu-Y +mp-552131,CsClO2,-4.2015156075,-1.0421864939,0.3517860847,0.3517860847,GGA,Cmcm,ABC2_oC16_63_c_a_g:Cl-Cs-O,8.0,ABC2_oC16_63_c_a_g:Cl-Cs-O +mp-1189428,Cs2IrCl5O,-4.3309805944,-1.5733571572,0.0338671687,0.0338671687,GGA,Cmcm,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-Ir-O,18.0,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-Ir-O +mp-779389,CsClO3,-4.674400533,-1.1575994998,0.0641775696,0.0641775696,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:Cl-Cs-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_e2f:Cl-Cs-O, expected CsClO5 to be CsClO3" +mp-754202,CsClO3,-4.66767155,-1.1508705168,0.0709065526,0.0709065526,GGA,Pmn2_1,ABC3_oP10_31_a_a_ab:Cl-Cs-O,10.0,"Invalid WP multiplicities - ABC3_oP10_31_a_a_2a2b:Cl-Cs-O, expected CsClO6 to be CsClO3" +mp-760386,CsClO3,-4.671130762,-1.1543297288,0.0674473406,0.0674473406,GGA,R3m,ABC3_hR15_160_a_a_b:Cl-Cs-O,5.0,ABC3_hR15_160_a_a_b:Cl-Cs-O +mp-28651,Cs2IrCl6,-4.0426088411,-1.6292245207,0.0,-0.2007881733,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Ir,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Ir +mp-30206,CsClO4,-4.8620957096,-1.1069800634,0.0,-0.1423138135,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cl-Cs-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_6c4d:Cl-Cs-O, expected CsClO14 to be CsClO4" +mp-675623,CsClO4,-4.794415715,-1.0393000688,0.0676799946,-0.074633819,GGA,P4_2/nmc,ABC4_tP12_137_a_b_g:Cl-Cs-O,12.0,ABC4_tP12_137_a_b_g:Cl-Cs-O +mp-546711,CsClO4,-4.8496867183,-1.0945710722,0.0124089913,-0.1299048223,GGA,F-43m,ABC4_cF24_216_a_b_e:Cl-Cs-O,6.0,ABC4_cF24_216_a_b_e:Cl-Cs-O +mp-1226409,Cs3Cl5O,-2.8940299917,-1.0189656442,0.5435561088,0.5435561088,GGA,P6_3,A5B3C_hP18_173_2bc_c_a:Cl-Cs-O,18.0,A5B3C_hP18_173_2bc_c_a:Cl-Cs-O +mp-984356,CsIrO3,-5.96647933,-1.0516987928,0.2107861458,0.2107861458,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Ir-O,5.0,ABC3_cP5_221_a_b_c:Cs-Ir-O +mp-29983,Cs6Cl4O,-3.5793810273,-1.9690856106,0.0,-0.0043251484,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Cl-Cs-O,22.0,A4B6C_hR66_167_ae_f_b:Cl-Cs-O +mp-562420,Cs3ClO,-3.5128193655,-1.6165328680000002,0.0015385665,0.0015385665,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cl-Cs-O,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_10c_c:Cl-Cs-O, expected Cs10ClO to be Cs3ClO" +mp-561672,Cs4IrO4,-5.0301174867,-1.4515843185,0.0,-0.2383012339,GGA,C2/m,A4BC4_mC18_12_2i_a_j:Cs-Ir-O,9.0,"Invalid WP multiplicities - A4BC4_mC18_12_3i_a_j:Cs-Ir-O, expected Cs6IrO4 to be Cs4IrO4" +mp-1111193,K2ScTlBr6,-3.917058694,-1.8936506814,0.025819068,0.025819068,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Sc-Tl +mp-1209282,Rb3ScF6,-5.620875828,-3.5465813152,0.0,-0.048885538,GGA,P4/mnc,A6B3C_tP20_128_eh_ad_b:F-Rb-Sc,20.0,A6B3C_tP20_128_eh_ad_b:F-Rb-Sc +mp-1113822,Rb3ScF6,-5.600902527,-3.5266080142,0.019973301,-0.028912237,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Sc,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Sc +mp-8962,Rb2HgF4,-3.8458624343,-2.4300532371,0.0,-0.0141937729,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Hg-Rb,7.0,A4BC2_tI14_139_ce_a_e:F-Hg-Rb +mp-1209160,RbScF4,-6.4062871533,-3.9131339788,0.0,-0.0323970389,GGA,Cmcm,A4BC_oC24_63_acf_c_b:F-Rb-Sc,12.0,A4BC_oC24_63_acf_c_b:F-Rb-Sc +mp-7482,RbHgF3,-3.636118128,-2.23238786,0.0,-0.019292414,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Hg-Rb,5.0,A3BC_cP5_221_c_b_a:F-Hg-Rb +mp-1111002,Rb2ScHgF6,-5.115274837,-3.108665695,0.1224864395,0.1224864395,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Sc +mp-4630,Li2RuO3,-6.5149212175,-1.859535483,0.0,-0.012858509,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Li-O-Ru,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_ac2g_2i2j_h:Li-O-Ru, expected Li3RuO6 to be Li2RuO3" +mp-675354,Li3(RuO3)2,-6.3436932986,-1.4386291216,0.3706200127,0.3706200127,GGA,C2/c,A3B6C2_mC44_15_c2e_3f_f:Li-O-Ru,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2c4e_11f_f:Li-O-Ru, expected Li3RuO11 to be Li3(RuO3)2" +mp-1210187,Nd2RuO5,-8.2663638672,-2.823346247,0.0875734642,0.0875734642,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Nd-O-Ru,32.0,A2B5C_oP32_62_2c_5c_c:Nd-O-Ru +mp-37692,Li3RuO4,-6.2892670225,-1.9407762744,0.0,-0.0164451137,GGA,P2/c,A3B4C_mP16_13_e2f_2g_e:Li-O-Ru,16.0,"Invalid WP multiplicities - A3B4C_mP16_13_2e4f_3g_e:Li-O-Ru, expected Li6RuO6 to be Li3RuO4" +mp-37839,Li7RuO6,-5.7198402157,-1.9829120104,0.0098267229,0.0098267229,GGA,P1,A7B6C_aP14_1_7a_6a_a:Li-O-Ru,14.0,A7B6C_aP14_1_7a_6a_a:Li-O-Ru +mp-676252,Li9(RuO3)10,-6.8441154271,-1.5721768039,0.0663170158,0.0663170158,GGA,P-1,A9B30C10_aP49_2_a4i_15i_5i:Li-O-Ru,49.0,"Invalid WP multiplicities - A9B30C10_aP49_2_a6i_28i_8i:Li-O-Ru, expected Li13(Ru2O7)8 to be Li9(RuO3)10" +mp-1204904,Nd3RuO7,-8.3660809459,-3.0746567808,0.001448125,-0.0630460998,GGA,P2_1/m,A3B7C_mP44_11_ad4e_6e4f_bc:Nd-O-Ru,44.0,A3B7C_mP44_11_ab4e_6e4f_cd:Nd-O-Ru +mp-1200843,Nd3RuO7,-8.365899152,-3.0744749869,0.0016299189,-0.0628643059,GGA,Pnma,A3B7C_oP44_62_a2c_3c2d_b:Nd-O-Ru,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_a3c_4c3d_b:Nd-O-Ru, expected Nd4RuO10 to be Nd3RuO7" +mp-17753,Nd3RuO7,-8.3675290709,-3.0761049058,0.0,-0.0644942248,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Nd-O-Ru,22.0,A3B7C_oC44_63_ag_cgh_b:Nd-O-Ru +mp-28254,LiRuO2,-6.8372787887,-1.5681030815,0.1000191734,0.1000191734,GGA,Pnnm,AB2C_oP8_58_a_g_c:Li-O-Ru,8.0,AB2C_oP8_58_a_g_c:Li-O-Ru +mp-1235641,LiNd2O6,-6.7887422167,-2.2192588834,0.2664004696,0.2664004696,GGA,C2/m,AB2C6_mC18_12_a_i_3i:Li-Nd-O,9.0,"Invalid WP multiplicities - AB2C6_mC18_12_a_i_5i:Li-Nd-O, expected LiNd2O10 to be LiNd2O6" +mp-1236316,LiNd2O6,-6.46482323,-1.8953398968,0.5903194563,0.5903194563,GGA,C2/m,AB2C6_mC18_12_a_i_ij:Li-Nd-O,9.0,"Invalid WP multiplicities - AB2C6_aP9_2_a_i_5i:Li-Nd-O, expected LiNd2O10 to be LiNd2O6" +mp-1236616,LiNd2O6,-6.5698930733,-2.0004097401,0.485249613,0.485249613,GGA,C2/m,AB2C6_mC18_12_a_i_3i:Li-Nd-O,9.0,"Invalid WP multiplicities - AB2C6_mC18_12_a_i_5i:Li-Nd-O, expected LiNd2O10 to be LiNd2O6" +mp-1193147,Li(RuO2)2,-7.2617321836,-1.5125203562,0.0657681155,0.0657681155,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Li-O-Ru,28.0,AB4C2_oP28_62_c_4c_2c:Li-O-Ru +mp-19930,Nd2Ru2O7,-8.209105495,-2.5080217747,0.0067862228,0.0067862228,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Nd-O-Ru +mp-757395,Li11(RuO3)8,-6.7013775005,-1.7266356185,0.0501832429,0.0501832429,GGA,P1,A11B24C8_aP43_1_11a_24a_8a:Li-O-Ru,43.0,A11B24C8_aP43_1_11a_24a_8a:Li-O-Ru +mp-757535,Li35(RuO4)12,-6.2982457972,-1.9240753871,0.0034064178,0.0034064178,GGA,C2,A35B48C12_mC190_5_3a4b14c_24c_6c:Li-O-Ru,95.0,"Invalid WP multiplicities - A35B48C12_mC190_5_3a4b28c_48c_12c:Li-O-Ru, expected Li21(RuO4)8 to be Li35(RuO4)12" +mp-1211080,LiNd2RuO6,-7.8452131885,-2.8052379346,0.0,-0.0318873305,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Li-Nd-O-Ru,20.0,AB2C6D_mP20_14_a_e_3e_b:Li-Nd-O-Ru +mp-1185387,LiNdO3,-6.60290544,-2.2994781534,0.25988815,0.25988815,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Li-Nd-O,5.0,ABC3_cP5_221_b_a_c:Li-Nd-O +mp-977539,LiNd2Ru,-5.324233945,-0.1443288771,0.0141052373,0.0141052373,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Nd-Ru,4.0,AB2C_cF16_225_a_c_b:Li-Nd-Ru +mp-756648,LiNdO2,-7.2685937337,-3.1259818033,0.0112206497,0.0112206497,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Li-Nd-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:Li-Nd-O, expected LiNdO3 to be LiNdO2" +mp-1222355,LiNdO2,-7.2714782281,-3.1288662977,0.0083361553,0.0083361553,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Li-Nd-O,16.0,ABC2_mP16_14_e_e_2e:Li-Nd-O +mp-1185420,LiRuO3,-6.663394638,-1.4587163299,0.2110826308,0.2110826308,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Li-O-Ru,5.0,AB3C_cP5_221_a_c_b:Li-O-Ru +mp-1112968,Cs3SbI6,-2.853858498,-1.2883178524,0.069153977,0.069153977,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-I-Sb,10.0,A3B6C_cF40_225_ac_e_b:Cs-I-Sb +mp-541014,Cs3Sb2I9,-2.9086449957,-1.1797516567,0.0048837614,-0.0357490393,GGA,P-3m1,A3B9C2_hP14_164_ad_ei_d:Cs-I-Sb,14.0,A3B9C2_hP14_164_ad_ei_d:Cs-I-Sb +mp-23029,Cs3Sb2I9,-2.9135287571,-1.1846354181,0.0,-0.0406328007,GGA,P6_3/mmc,A3B9C2_hP28_194_bf_hk_f:Cs-I-Sb,28.0,"Invalid WP multiplicities - A3B9C2_hP28_194_bf_h2k_f:Cs-I-Sb, expected Cs3Sb2I15 to be Cs3Sb2I9" +mp-1113283,Cs2InSbI6,-2.8874268240000003,-1.1362580426,0.0336550538,0.0336550538,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Sb +mp-181,KGa3,-2.7265304725,-0.1778587189,0.0,-0.0248734958,GGA,I-4m2,A3B_tI24_119_a2i_bf:Ga-K,12.0,"Invalid WP multiplicities - A3B_tI24_119_a3i_bf:Ga-K, expected K3Ga13 to be KGa3" +mp-1078864,KGa,-2.11801724,-0.0487697552,0.0732122062,0.0732122062,GGA,Pnma,AB_oP8_62_c_c:Ga-K,8.0,AB_oP8_62_c_c:Ga-K +mp-28680,KGaBr4,-3.3545036083,-1.6294022267,0.0,-0.07220375,GGA,R3c,A4BC_hR108_161_4b_b_b:Br-Ga-K,36.0,A4BC_hR108_161_4b_b_b:Br-Ga-K +mp-680682,K3Ga13,-2.8242659061,-0.1557380852,0.0,-0.0223440461,GGA,Cmcm,A13B3_oC128_63_2c5fg3h_3f:Ga-K,64.0,"Invalid WP multiplicities - A13B3_oC128_63_4c20f2g6h_10f:Ga-K, expected K5Ga18 to be K3Ga13" +mp-1111137,K2TlGaBr6,-3.194792467,-1.5018217627,0.128492367,0.128492367,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Tl +mp-1184898,K3Ga,-1.4256348025,0.1641884134,0.2251793941,0.2251793941,GGA,I4/mmm,AB3_tI8_139_a_bd:Ga-K,4.0,AB3_tI8_139_a_bd:Ga-K +mp-1184834,K3Ga,-1.415244905,0.1745783109,0.2355692916,0.2355692916,GGA,Pm-3m,AB3_cP4_221_a_c:Ga-K,4.0,AB3_cP4_221_a_c:Ga-K +mp-1184851,K3Ga,-1.4195716925,0.1702515234,0.2312425041,0.2312425041,GGA,Fm-3m,AB3_cF16_225_a_bc:Ga-K,4.0,AB3_cF16_225_a_bc:Ga-K +mp-1110886,K3GaBr6,-3.237312192,-1.6695659076,0.136330113,0.136330113,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-Ga-K,10.0,A6BC3_cF40_225_e_a_bc:Br-Ga-K +mp-568052,K2Ga3,-2.407395546,-0.1463783537,0.0,-0.0040913786,GGA,I4/mmm,A3B2_tI20_139_ei_de:Ga-K,10.0,"Invalid WP multiplicities - A3B2_tI20_139_2e3i_2d2e:Ga-K, expected KGa2 to be K2Ga3" +mp-28698,Na4IrO4,-5.3438372267,-1.575471649,0.0,-0.0629680378,GGA,I4/m,AB4C4_tI18_87_a_h_h:Ir-Na-O,9.0,AB4C4_tI18_87_a_h_h:Ir-Na-O +mp-975274,RbNaO3,-3.935398672,-0.5067735721000001,0.6004236367,0.6004236367,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Na-O-Rb,5.0,AB3C_cP5_221_b_c_a:Na-O-Rb +mp-8453,RbNaO,-3.690886645,-1.2743039526,0.01197217,0.01197217,GGA,P4/nmm,ABC_tP6_129_a_c_c:Na-O-Rb,6.0,ABC_tP6_129_a_c_c:Na-O-Rb +mp-1206847,Rb2NaO2,-3.056885476,-0.4214913038,0.843726253,0.843726253,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Na-O-Rb,5.0,AB2C2_tP5_123_a_g_g:Na-O-Rb +mp-1079568,NaIrO3,-6.476679781,-1.4764746596,0.0,-0.1536486265,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Ir-Na-O,10.0,ABC3_oC20_63_a_c_cf:Ir-Na-O +mp-754844,Na2IrO3,-5.9365340133,-1.5492755299,0.0,-0.0478749525,GGA,C2/m,AB2C3_mC24_12_g_adh_ij:Ir-Na-O,12.0,AB2C3_mC24_12_g_ach_ij:Ir-Na-O +mp-555091,Rb2Na2IrO4,-5.2299270256,-1.5375594970000002,0.0,-0.1268449867,GGA,P2_1/c,AB2C4D2_mP36_14_e_2e_4e_2e:Ir-Na-O-Rb,36.0,"Invalid WP multiplicities - AB2C4D2_mP36_14_e_7e_14e_4e:Ir-Na-O-Rb, expected Rb4Na7IrO14 to be Rb2Na2IrO4" +mp-755612,DyGaO3,-7.6296917765,-3.1347019773,0.0481700226,0.0481700226,GGA,Pnma,ABC3_oP20_62_c_a_cd:Dy-Ga-O,20.0,ABC3_oP20_62_c_a_cd:Dy-Ga-O +mp-769015,DyGaO3,-7.6530004843,-3.1580106851,0.0248613148,0.0248613148,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Dy-Ga-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_a2b11c:Dy-Ga-O, expected Dy5Ga3O38 to be DyGaO3" +mp-15576,Dy3Ga5O12,-7.3920341004,-2.975978842,0.0,-0.0400308169,GGA,Ia-3d,A3B5C12_cI160_230_c_ad_h:Dy-Ga-O,80.0,A3B5C12_cI160_230_c_ad_h:Dy-Ga-O +mp-28351,Dy2GeO5,-8.1931001034,-3.371844467,0.0,-0.0133914597,GGA,C2/c,A2BC5_mC64_15_2f_f_5f:Dy-Ge-O,32.0,A2BC5_mC64_15_2f_f_5f:Dy-Ge-O +mp-772882,Dy2Ge2O7,-7.8601205693,-3.0340796267,0.0280135516,-0.0151233608,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:Dy-Ge-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Dy-Ge-O, expected Dy7Ge7O27 to be Dy2Ge2O7" +mp-768241,Dy2Ge2O7,-7.8818532645,-3.0558123219,0.0062808564,-0.036856056,GGA,C2,A2B2C7_mC22_5_2a_c_b3c:Dy-Ge-O,11.0,"Invalid WP multiplicities - A2B2C7_mC22_5_2a_c_b6c:Dy-Ge-O, expected Dy2Ge2O13 to be Dy2Ge2O7" +mp-780293,Dy2Ge2O7,-7.8212373814,-2.9951964387,0.0668967395,0.0237598272,GGA,P2_1/m,A2B2C7_mP22_11_ad_2e_3e2f:Dy-Ge-O,22.0,"Invalid WP multiplicities - A2B2C7_mP22_11_ac_3e_5e4f:Dy-Ge-O, expected Dy2Ge3O13 to be Dy2Ge2O7" +mp-752407,Dy2Ge2O7,-7.8739198309,-3.0478788883,0.01421429,-0.0289226223,GGA,P2_1/c,A2B2C7_mP22_14_e_e_a3e:Dy-Ge-O,22.0,"Invalid WP multiplicities - A2B2C7_mP22_14_e_e_a6e:Dy-Ge-O, expected Dy2Ge2O13 to be Dy2Ge2O7" +mp-773011,Dy2Ge2O7,-7.85873012,-3.0326891774,0.0294040009,-0.0137329114,GGA,Pnma,A2B2C7_oP44_62_d_2c_3c2d:Dy-Ge-O,44.0,"Invalid WP multiplicities - A2B2C7_oP44_62_d_5c_12c5d:Dy-Ge-O, expected Dy2Ge5O22 to be Dy2Ge2O7" +mp-772793,Dy2Ge2O7,-7.8881341209,-3.0620931783,0.0,-0.0431369123,GGA,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Dy-Ge-O,44.0,"Invalid WP multiplicities - A2B2C7_tP44_92_b_b_2a23b:Dy-Ge-O, expected DyGeO24 to be Dy2Ge2O7" +mp-754646,Dy2Ge2O7,-7.8758707582,-3.0498298156,0.0122633627,-0.0308735496,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Dy-Ge-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2af:Dy-Ge-O, expected DyGeO4 to be Dy2Ge2O7" +mp-1191600,Dy3GeO8,-7.7284203629,-2.8936788575,0.189726752,0.189726752,GGA,P2_1/m,A3BC8_mP24_11_ef_e_2e3f:Dy-Ge-O,24.0,A3BC8_mP24_11_ef_e_2e3f:Dy-Ge-O +mp-1213126,DyGaGe2O7,-7.28845123,-2.6059276344,0.0099412066,0.0099412066,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Dy-Ga-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Dy-Ga-Ge-O +mp-31113,Dy3GaO6,-8.2485629625,-3.5957040815,0.0009542341,0.0009542341,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Dy-Ga-O,20.0,A3BC6_oC40_36_ab_a_2a2b:Dy-Ga-O +mp-1184160,Dy2Ge2O5,-7.0854559811,-2.2862256537,0.7109694281000001,0.7109694281000001,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Dy-Ge-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Dy-Ge-O, expected Dy2Ge2O9 to be Dy2Ge2O5" +mp-574599,CsAuSe,-3.4826625933,-0.9275973101,0.0,-0.1007254778,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-Cs-Se,6.0,ABC_oC12_63_a_c_c:Au-Cs-Se +mp-1104020,CsUAuSe3,-5.5736309067,-1.2488927708,0.0,-0.0592407662,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Au-Cs-Se-U,12.0,ABC3D_oC24_63_c_c_cf_a:Au-Cs-Se-U +mp-567913,CsAuSe3,-3.70669255,-0.7752887890000001,0.0,-0.0086813671,GGA,C2/c,ABC3_mC20_15_e_e_ef:Au-Cs-Se,10.0,ABC3_mC20_15_e_e_ef:Au-Cs-Se +mp-29194,Cs2Au2Se3,-3.5678101257,-0.8783382433,0.0,-0.0051368336,GGA,C2/c,A2B2C3_mC28_15_f_f_ef:Au-Cs-Se,14.0,"Invalid WP multiplicities - A2B2C3_mC28_15_f_f_e2f:Au-Cs-Se, expected Cs2Au2Se5 to be Cs2Au2Se3" +mp-9386,CsAu3Se2,-3.5890822817,-0.6376037271,0.0,-0.0615161108,GGA,P-3m1,A3BC2_hP6_164_e_b_d:Au-Cs-Se,6.0,A3BC2_hP6_164_e_b_d:Au-Cs-Se +mp-29738,TlClO3,-4.532848862,-0.7225996739,0.0619930266,0.0619930266,GGA,R3m,AB3C_hR15_160_a_b_a:Cl-O-Tl,5.0,AB3C_hR15_160_a_b_a:Cl-O-Tl +mp-1180763,Nb3(Cl3O4)2,-6.2380444853,-1.4751830282,0.492664062,0.492664062,GGA,P1,A6B3C8_aP34_1_12a_6a_16a:Cl-Nb-O,34.0,A6B3C8_aP34_1_12a_6a_16a:Cl-Nb-O +mp-1196556,Nb3(Cl3O4)2,-6.0939658418,-1.3311043847,0.6367427056,0.6367427056,GGA,Fm-3m,A6B3C8_cF136_225_h_e_cef:Cl-Nb-O,34.0,A6B3C8_cF136_225_h_e_cef:Cl-Nb-O +mp-757636,NbTlO3,-7.9164776372,-2.4556747732,0.0,-0.0579659538,GGA,P1,AB3C_aP40_1_8a_24a_8a:Nb-O-Tl,40.0,AB3C_mC80_9_8a_24a_8a:Nb-O-Tl +mp-1101462,NbTlO3,-7.91638012,-2.4555772559,9.75172e-05,-0.0578684366,GGA,Cc,AB3C_mC80_9_4a_12a_4a:Nb-O-Tl,40.0,AB3C_mC80_9_8a_24a_8a:Nb-O-Tl +mp-977408,NbTlO3,-7.82580354,-2.3650006759,0.0906740972,0.0327081434,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nb-O-Tl,5.0,AB3C_cP5_221_b_c_a:Nb-O-Tl +mp-30530,TlClO4,-4.7017745600000005,-0.7021187847,0.0,-0.0335813752,GGA,F-43m,AB4C_cF24_216_a_e_b:Cl-O-Tl,6.0,AB4C_cF24_216_a_e_b:Cl-O-Tl +mp-33658,Nb2Tl2O7,-7.7185361595,-2.3044709457,0.0285403677,0.0285403677,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nb-O-Tl,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Nb-O-Tl, expected NbTlO10 to be Nb2Tl2O7" +mp-758350,Nb8Tl8O25,-7.8541084354,-2.4058449409,0.0169206286,0.0169206286,GGA,Cm,A8B25C8_mC82_8_4a2b_9a8b_4a2b:Nb-O-Tl,41.0,"Invalid WP multiplicities - A8B25C8_mC82_8_4a4b_9a15b_4a4b:Nb-O-Tl, expected Nb4Tl4O13 to be Nb8Tl8O25" +mp-759378,Nb3Tl3O10,-7.8000156683,-2.3713449388,0.0,-2.5883000000000003e-06,GGA,I4_1/amd,A3B10C3_tI128_141_ch_4egi_dh:Nb-O-Tl,64.0,"Invalid WP multiplicities - A3B10C3_tI128_141_2c3h_14e2g6i_2d3h:Nb-O-Tl, expected Nb4Tl4O21 to be Nb3Tl3O10" +mp-676877,Nb(Cl2O)2,-4.9726753286,-1.0599854568,0.5468523307,0.5468523307,GGA,P1,A4BC2_aP7_1_4a_a_2a:Cl-Nb-O,7.0,A4BC2_aP7_1_4a_a_2a:Cl-Nb-O +mp-1220680,Nb2TlO7,-7.973035291,-2.2538278705,0.1469350366,0.1469350366,GGA,Imma,A2B7C_oI40_74_ac_3ej_b:Nb-O-Tl,20.0,"Invalid WP multiplicities - A2B7C_oI40_74_ac_5e2j_b:Nb-O-Tl, expected Nb2TlO13 to be Nb2TlO7" +mp-1210118,NbTlO14,-5.0423342131,0.0650151709,0.9015607881,0.9015607881,GGA,Fd-3m,AB14C_cF128_227_b_cg_a:Nb-O-Tl,32.0,AB14C_cF128_227_b_cg_a:Nb-O-Tl +mp-556422,NbCl3O,-6.248637615,-2.1299168688,0.0,-0.0209638283,GGA,P-42_1m,A3BC_tP20_113_ef_e_e:Cl-Nb-O,20.0,"Invalid WP multiplicities - A3BC_tP20_113_3e3f_e_e:Cl-Nb-O, expected NbCl9O to be NbCl3O" +mp-27815,NbCl3O,-6.2402007115,-2.1214799652,0.0084369035,-0.0125269248,GGA,P4_2/mnm,A3BC_tP20_136_fi_g_f:Cl-Nb-O,20.0,A3BC_tP20_136_fi_g_f:Cl-Nb-O +mp-29698,Nb3ClO7,-8.9784193643,-2.9075763862,0.0,-0.0096134193,GGA,Pnma,AB3C7_oP44_62_c_cd_c3d:Cl-Nb-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_2c8d:Cl-Nb-O, expected Nb5ClO18 to be Nb3ClO7" +mp-29924,Nb3Cl5O2,-7.0246431333,-2.080645549,0.0,-0.0207269014,GGA,Pnnm,A5B3C2_oP40_58_e4g_gh_h:Cl-Nb-O,40.0,A5B3C2_oP40_58_e4g_gh_h:Cl-Nb-O +mp-561523,NbTlCl4O,-5.4795775886,-1.9360370832,0.0,-0.036381565,GGA,Pbca,A4BCD_oP56_61_4c_c_c_c:Cl-Nb-O-Tl,56.0,"Invalid WP multiplicities - A4BCD_oP56_61_25c_c_c_c:Cl-Nb-O-Tl, expected NbTlCl25O to be NbTlCl4O" +mp-1025567,NbCl2O,-6.9220041362,-2.2357373684,0.0,-0.0362607433,GGA,C2,A2BC_mC16_5_2c_c_c:Cl-Nb-O,8.0,A2BC_mC16_5_2c_c_c:Cl-Nb-O +mp-753384,Nb4Tl4O13,-7.7938620462,-2.3575408084,0.0338826623,0.0338826623,GGA,F-43m,A4B13C4_cF84_216_e_afg_e:Nb-O-Tl,21.0,"Invalid WP multiplicities - A4B13C4_cF84_216_e_a4f3g_e:Nb-O-Tl, expected Nb4Tl4O43 to be Nb4Tl4O13" +mp-863389,Nb16Tl16O53,-7.7971753609,-2.3666145058,0.0096910114,0.0096910114,GGA,I-42m,A16B53C16_tI170_121_2ij_a2efgh3i3j_2ij:Nb-O-Tl,85.0,"Invalid WP multiplicities - A16B53C16_tI170_121_3i2j_a4e2f3g2h8i14j_7ij:Nb-O-Tl, expected Nb28Tl36O181 to be Nb16Tl16O53" +mp-770812,SrCe2O4,-8.2979330629,-3.5347292617,0.0378776952,0.0378776952,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ce-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:Ce-O-Sr, expected SrCe5O13 to be SrCe2O4" +mp-777413,CeScO3,-9.277669205,-3.8565443262,0.0134831535,0.0134831535,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ce-O-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Ce-O-Sc, expected CeScO7 to be CeScO3" +mp-22428,SrCeO3,-8.108783838,-3.6162540896,0.008514478,0.008514478,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ce-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c3d_c:Ce-O-Sr, expected SrCeO9 to be SrCeO3" +mp-1218453,SrCeScO4,-8.4199429164,-3.5996848367,0.0560969849,0.0560969849,GGA,Cmc2_1,AB4CD_oC28_36_a_2ab_a_a:Ce-O-Sc-Sr,14.0,"Invalid WP multiplicities - AB4CD_oC28_36_a_4ab_a_a:Ce-O-Sc-Sr, expected SrCeScO6 to be SrCeScO4" +mp-15743,Sr2CeO4,-7.6512260986,-3.4942502548,0.0,-0.03186105,GGA,Pbam,AB4C2_oP14_55_a_gh_h:Ce-O-Sr,14.0,AB4C2_oP14_55_a_gh_h:Ce-O-Sr +mp-14127,La2Fe14C,-8.0893243974,0.0095565816,0.0257968144,0.0257968144,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-La,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-La +mp-647363,La21Fe8Bi7C12,-6.9765523002,-0.5381412855000001,0.0,-0.1331229754,GGA,Fm-3m,A7B12C8D21_cF192_225_ae_g_f_bfh:Bi-C-Fe-La,48.0,"Invalid WP multiplicities - A7B12C8D21_cF192_225_a2e_g_f_b6f7h:Bi-C-Fe-La, expected La133Fe8Bi13C12 to be La21Fe8Bi7C12" +mp-1080738,Sn2MoOsO6,-7.406737893,-1.4295085413,0.4422105945,0.4422105945,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mo-O-Os-Sn,10.0,AB6CD2_cF40_225_a_e_b_c:Mo-O-Os-Sn +mp-28456,Sn15Os3O14,-6.5426613669,-1.4464325521,0.0,-0.0198863214,GGA,Cm,A14B3C15_mC64_8_6a4b_3a_7a4b:O-Os-Sn,32.0,"Invalid WP multiplicities - A14B3C15_mC64_8_6a4b_3a_7a5b:O-Os-Sn, expected Sn17Os3O14 to be Sn15Os3O14" +mp-505802,Sn(Mo2O3)2,-8.4152211945,-1.4086480525,0.2694802118,0.2694802118,GGA+U,P4/mbm,A4B6C_tP22_127_gh_hi_a:Mo-O-Sn,22.0,A4B6C_tP22_127_gh_hi_a:Mo-O-Sn +mp-14695,SnMo5O8,-8.4699685498,-1.4834448288,0.2684566755,0.2684566755,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Mo-O-Sn,56.0,"Invalid WP multiplicities - A5B8C_mP56_14_7e_8e_e:Mo-O-Sn, expected SnMo7O8 to be SnMo5O8" +mp-1204440,In5(Mo9O14)2,-7.9251163969,-1.1116378764,0.5974158232,0.5974158232,GGA+U,P2_1/c,A5B18C28_mP102_14_a2e_9e_14e:In-Mo-O,102.0,A5B18C28_mP102_14_a2e_9e_14e:In-Mo-O +mp-755004,CsInO2,-5.1202950212,-1.7351791401,0.0573345933,0.0573345933,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-In-O,8.0,ABC2_hP8_194_c_a_f:Cs-In-O +mp-28381,Cs3InO3,-4.5202259093,-1.6233749121,0.0,-0.0286367785,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-In-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:Cs-In-O, expected Cs9InO9 to be Cs3InO3" +mp-559213,CsIn3O5,-5.6889436075,-1.9240661499,0.0,-0.0233194918,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Cs-In-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_8c_20c:Cs-In-O, expected CsIn8O20 to be CsIn3O5" +mp-1196865,Cs8In2O7,-4.3331157441,-1.551150602,0.0,-0.0044205376,GGA,P2_1/c,A8B2C7_mP34_14_4e_e_a3e:Cs-In-O,34.0,A8B2C7_mP34_14_4e_e_a3e:Cs-In-O +mp-705134,In2(MoO4)3,-7.721894677,-1.9924486579,0.0,-0.0456576044,GGA+U,P2_1/c,A2B3C12_mP136_14_4e_6e_24e:In-Mo-O,136.0,"Invalid WP multiplicities - A2B3C12_mP136_14_14e_21e_94e:In-Mo-O, expected In14Mo21O94 to be In2(MoO4)3" +mp-1213321,CsIn(MoO4)2,-7.4794585454,-2.0701338777,0.0029443484,0.0029443484,GGA+U,Pnma,ABC2D8_oP48_62_c_c_2c_4c2d:Cs-In-Mo-O,48.0,ABC2D8_oP48_62_c_c_2c_4c2d:Cs-In-Mo-O +mp-1192977,Cr2Hg2O9,-5.9955544723,-1.0391195437,0.160333937,0.160333937,GGA+U,C2/c,A2B2C9_mC52_15_f_f_e4f:Cr-Hg-O,26.0,A2B2C9_mC52_15_f_f_e4f:Cr-Hg-O +mp-694897,Cr6PbO18,-7.3111351052,-1.2842819575,0.3762851179,0.3762851179,GGA+U,C2/m,A6B18C_mC50_12_ej_fh3i2j_a:Cr-O-Pb,25.0,"Invalid WP multiplicities - A6B18C_mC50_12_2f3j_2e2h6i6j_a:Cr-O-Pb, expected Cr16PbO44 to be Cr6PbO18" +mp-29112,CrHg5O6,-4.3376992675,-0.933400804,0.0429590331,0.0429590331,GGA+U,C2/c,AB5C6_mC48_15_e_a2f_3f:Cr-Hg-O,24.0,AB5C6_mC48_15_e_a2f_3f:Cr-Hg-O +mp-19146,CrPbO4,-7.2506379175,-1.7252296867,0.0,-0.0507075442,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Pb,24.0,AB4C_mP24_14_e_4e_e:Cr-O-Pb +mp-542031,CrPbO4,-7.2302388292,-1.7048305983,0.0203990883,-0.0303084558,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Cr-O-Pb,24.0,AB4C_oP24_62_c_2cd_c:Cr-O-Pb +mp-559462,CrHg3(PbO4)2,-5.3676435632,-1.2560083921,0.0,-0.0010368221,GGA+U,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Cr-Hg-O-Pb,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_10e_29e_6e:Cr-Hg-O-Pb, expected CrHg10Pb6O29 to be CrHg3(PbO4)2" +mp-19155,CrHgO4,-6.2531511250000005,-1.2959040117,0.0035039258,-0.0357164391,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Cr-Hg-O,24.0,ABC4_mP24_14_e_e_4e:Cr-Hg-O +mp-19380,CrHgO4,-6.2566550508,-1.2994079375,0.0,-0.0392203649,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Hg-O,12.0,ABC4_oC24_63_c_a_fg:Cr-Hg-O +mp-21074,Cr2HgO4,-7.5157335414,-1.8876578057,0.0,-0.0142099975,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Hg-O,14.0,A2BC4_cF56_227_c_b_e:Cr-Hg-O +mp-559772,CrHg3O5,-4.9747556518,-1.0528076383,0.0565147611,0.0565147611,GGA+U,Pca2_1,AB3C5_oP72_29_2a_6a_10a:Cr-Hg-O,72.0,"Invalid WP multiplicities - AB3C5_oP72_29_5a_21a_38a:Cr-Hg-O, expected Cr5Hg21O38 to be CrHg3O5" +mp-22364,CrPbO3,-7.3799187,-1.7387665653000002,0.156582256,0.156582256,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Pb,5.0,AB3C_cP5_221_b_c_a:Cr-O-Pb +mp-556308,CrHg(PbO3)2,-6.207699836,-1.5014844118,0.0,-0.0102637072,GGA+U,P-1,ABC6D2_aP20_2_i_i_6i_2i:Cr-Hg-O-Pb,20.0,"Invalid WP multiplicities - ABC6D2_aP20_2_i_i_11i_3i:Cr-Hg-O-Pb, expected CrHgPb3O11 to be CrHg(PbO3)2" +mp-22373,CrPb2O5,-6.9235046238,-1.697031478,0.0,-0.0185400835,GGA+U,C2/m,AB5C2_mC32_12_i_g2ij_2i:Cr-O-Pb,16.0,AB5C2_mC32_12_i_g2ij_2i:Cr-O-Pb +mp-559125,Cr2HgO7,-6.8081468223,-1.384487194,0.0184135438,0.0184135438,GGA+U,P3_2,A2BC7_hP30_145_2a_a_7a:Cr-Hg-O,30.0,"Invalid WP multiplicities - A2BC7_hP30_145_5a_a_18a:Cr-Hg-O, expected Cr5HgO18 to be Cr2HgO7" +mp-705034,CrPb5O8,-6.4404652172,-1.5983371808,0.0151647031,0.0151647031,GGA+U,P2_1/c,AB8C5_mP112_14_2e_16e_10e:Cr-O-Pb,112.0,"Invalid WP multiplicities - AB8C5_mP112_14_4e_61e_40e:Cr-O-Pb, expected Cr4Pb40O61 to be CrPb5O8" +mp-558700,Cr2(Hg2O3)3,-4.9356448356,-1.0739756867,0.0789948601,0.0789948601,GGA+U,P2_12_12_1,A2B6C9_oP68_19_2a_6a_9a:Cr-Hg-O,68.0,"Invalid WP multiplicities - A2B6C9_oP68_19_4a_23a_34a:Cr-Hg-O, expected Cr4Hg23O34 to be Cr2(Hg2O3)3" +mp-1216425,VCoSi,-7.5856446642,-0.3797973658,0.1960847325,0.1131627008,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Si-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Si-V, expected V3(CoSi)2 to be VCoSi" +mp-21371,VCoSi,-7.7817293967,-0.5758820983,0.0,-0.0829220317,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-V,12.0,ABC_oP12_62_c_c_c:Co-Si-V +mp-1216327,VFe3Si4,-7.438374105,-0.4139688775,0.0693448032,0.0693448032,GGA,R3,A3B4C_hR24_146_b_ab_a:Fe-Si-V,8.0,A3B4C_hR24_146_b_ab_a:Fe-Si-V +mp-20586,VCo2Si,-7.6027444625,-0.42127954,0.0270695697,0.0270695697,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Si-V,4.0,A2BC_cF16_225_c_a_b:Co-Si-V +mp-1216581,V2FeSi,-8.4749754825,-0.4591876375,0.0,-0.0053099369,GGA,Ama2,ABC2_oC16_40_b_b_ab:Fe-Si-V,8.0,"Invalid WP multiplicities - ABC2_oC16_40_b_b_2ab:Fe-Si-V, expected V3FeSi to be V2FeSi" +mp-1216470,V5Fe5Si6,-7.9663275025,-0.4462309662,0.0558451191,0.0558451191,GGA,Amm2,A5B6C5_oC32_38_af_abde_bde:Fe-Si-V,16.0,A5B6C5_oC32_38_af_abde_bde:Fe-Si-V +mp-4595,VFe2Si,-8.32486444,-0.46254781,0.0,-0.0809196563,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Si-V,4.0,A2BC_cF16_225_c_a_b:Fe-Si-V +mp-1066609,VFeCoSi,-7.9763001125,-0.4544093362,0.0021041617,0.0021041617,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Si-V,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Si-V +mp-1207540,Zn10Si(B4Rh9)2,-5.9655136785,-0.4515831391,7.50596e-05,7.50596e-05,GGA,P4/mbm,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Si-Zn,74.0,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Si-Zn +mp-977384,ZnSiRh2,-5.9892103325,-0.6357909875000001,0.0014841006,0.0014841006,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Si-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Si-Zn +mp-1218812,Sr2GaSi,-3.392050425,-0.4339501852,0.0,-0.0075465388,GGA,Amm2,ABC2_oC8_38_a_b_ab:Ga-Si-Sr,4.0,ABC2_oC8_38_a_b_ab:Ga-Si-Sr +mp-510719,SrGaH4,-3.3111708279,-0.2630885519,0.1224867815,0.1224867815,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ga-H-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:Ga-H-Sr, expected SrGaH6 to be SrGaH4" +mp-1218379,Sr4GaSi3,-3.68982325,-0.4320702593,0.0004901313,0.0004901313,GGA,Pmm2,AB3C4_oP8_25_a_bcd_abcd:Ga-Si-Sr,8.0,AB3C4_oP8_25_a_bcd_abcd:Ga-Si-Sr +mp-1192424,SrGaH5,-3.4379716775,-0.3406545774,0.0,-0.0304843034,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Ga-H-Sr,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_3c2d_c:Ga-H-Sr, expected SrGaH7 to be SrGaH5" +mp-1218262,SrGaSi,-3.8187846433,-0.4378154747,0.0,-0.02857871,GGA,P-6m2,ABC_hP3_187_a_c_f:Ga-Si-Sr,3.0,ABC_hP3_187_a_c_f:Ga-Si-Sr +mp-979137,SrGaSiH,-3.8214684025,-0.4375600148,0.0040053476,0.0040053476,GGA,P3m1,ABCD_hP4_156_a_a_b_c:Ga-H-Si-Sr,4.0,ABCD_hP4_156_a_a_b_c:Ga-H-Si-Sr +mp-978854,Sr(GaH)2,-3.383126052,-0.4768985343,0.0,-0.0490141491,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ga-H-Sr,5.0,A2B2C_hP5_164_d_d_a:Ga-H-Sr +mp-1182377,Ba2CuO6,-5.6269978789,-1.4472991214,0.248372323,0.248372323,GGA,P2_1/c,A2BC6_mP18_14_e_a_3e:Ba-Cu-O,18.0,A2BC6_mP18_14_e_a_3e:Ba-Cu-O +mp-554040,CuSeO4,-5.5743488904,-1.0107033916,0.0,-0.0663709222,GGA,Pnma,AB4C_oP24_62_a_2cd_c:Cu-O-Se,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_7c6d_c:Cu-O-Se, expected CuSeO19 to be CuSeO4" +mp-554109,CuSeO4,-5.5586899458,-0.9950444471,0.0156589446,-0.0507119777,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Cu-O-Se,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_2f2g_c:Cu-O-Se, expected CuSeO8 to be CuSeO4" +mp-1147739,Ba(CuO)4,-5.5255376033,-1.2919202183,0.0257700256,0.0257700256,GGA,P4/nbm,AB4C4_tP18_125_a_fh_m:Ba-Cu-O,18.0,AB4C4_tP18_125_a_fh_m:Ba-Cu-O +mp-755472,BaCuO2,-5.85858345,-1.8806936919,0.1119070313,0.0907427205,GGA,P2_12_12,ABC2_oP16_18_c_c_2c:Ba-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP16_18_c_c_4c:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-2619433,BaCuO2,-5.8694110931,-1.891521335,0.1010793881,0.0799150774,GGA,Pmma,ABC2_oP8_51_e_f_be:Ba-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP8_51_e_f_2b2e:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-884675,BaCuO2,-5.8606565106,-1.8827667525,0.1098339706,0.0886696599,GGA,Pbam,ABC2_oP16_55_g_h_gh:Ba-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP16_55_g_h_2g2h:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-754008,BaCuO2,-5.8564180306,-1.8785282725,0.1140724506,0.0929081399,GGA,Pbam,ABC2_oP16_55_g_h_gh:Ba-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP16_55_g_h_2g2h:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-2224859,BaCuO2,-5.8565366087,-1.8786468506,0.1139538725,0.0927895618,GGA,Pbam,ABC2_oP16_55_h_g_2g:Ba-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP16_55_h_g_4g:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-997034,BaCuO2,-5.9704904812,-1.9926007231,0.0,-0.0211643107,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ba-Cu-O,8.0,"Invalid WP multiplicities - ABC2_oC16_63_c_c_4c:Ba-Cu-O, expected BaCuO4 to be BaCuO2" +mp-752398,BaCuO2,-5.893167495,-1.9152777369,0.0773229863,0.0561586755,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ba-Cu-O,4.0,ABC2_tP4_123_a_d_e:Ba-Cu-O +mp-555570,BaCu(SeO3)2,-5.9815130737,-1.7124993905,0.0112795207,0.0112795207,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Ba-Cu-O-Se,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_23e_6e:Ba-Cu-O-Se, expected BaCuSe6O23 to be BaCu(SeO3)2" +mp-620033,BaCu(SeO3)2,-5.9808788597,-1.7118651765,0.0119137347,0.0119137347,GGA,Pmn2_1,ABC6D2_oP40_31_b_b_2a5b_2ab:Ba-Cu-O-Se,40.0,"Invalid WP multiplicities - ABC6D2_oP40_31_b_b_2a18b_4a2b:Ba-Cu-O-Se, expected BaCuSe4O19 to be BaCu(SeO3)2" +mp-1147645,Ba4Cu3SeO6,-5.8165536686,-2.0201562746,0.03102262,0.03102262,GGA,Im-3m,A4B3C6D_cI28_229_c_b_d_a:Ba-Cu-O-Se,14.0,A4B3C6D_cI28_229_c_b_d_a:Ba-Cu-O-Se +mp-560561,Cu2SeO4,-5.543199315,-1.0459022203,0.0110427916,0.0110427916,GGA,P2_1/c,A2B4C_mP28_14_abe_4e_e:Cu-O-Se,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_ab2e_14e_e:Cu-O-Se, expected Cu3SeO14 to be Cu2SeO4" +mp-578931,Cu2SeO4,-5.5399717364,-1.0426746418,0.0142703702,0.0142703702,GGA,P2_13,A2B4C_cP56_198_ab_2a2b_2a:Cu-O-Se,56.0,"Invalid WP multiplicities - A2B4C_cP56_198_4a4b_7a13b_6a:Cu-O-Se, expected Cu8Se3O23 to be Cu2SeO4" +mp-766417,Ba10Cu5O17,-6.0812639378,-2.213154849,0.0056032223,0.0056032223,GGA,P-1,A10B5C17_aP32_2_5i_b2i_e8i:Ba-Cu-O,32.0,"Invalid WP multiplicities - A10B5C17_aP32_2_10i_b3i_e16i:Ba-Cu-O, expected Ba20Cu7O33 to be Ba10Cu5O17" +mp-1213519,Cu3SeO8,-5.4431600817,-0.8292399835,0.0235668725,0.0235668725,GGA,Pnma,A3B8C_oP48_62_cd_4c2d_c:Cu-O-Se,48.0,A3B8C_oP48_62_cd_4c2d_c:Cu-O-Se +mp-3988,BaCu3O4,-5.7077034025,-1.4572846781,0.0137628756,0.0137628756,GGA,Cmmm,AB3C4_oC16_65_c_ag_p:Ba-Cu-O,8.0,AB3C4_oC16_65_c_ag_p:Ba-Cu-O +mp-546449,BaCu3O4,-5.3416298437,-1.0912111194,0.3798364344,0.3798364344,GGA,Cmmm,AB3C4_oC16_65_c_bg_p:Ba-Cu-O,8.0,AB3C4_oC16_65_c_bg_p:Ba-Cu-O +mp-1182223,BaCu3O4,-5.3147928775,-1.0643741531,0.4066734006,0.4066734006,GGA,Cmmm,AB3C4_oC16_65_a_bg_p:Ba-Cu-O,8.0,AB3C4_oC16_65_a_bg_p:Ba-Cu-O +mp-541147,Cu4Se3O10,-5.5684840206,-1.0772223603,0.0064318099,0.0010678221,GGA,P-1,A4B10C3_aP34_2_4i_10i_3i:Cu-O-Se,34.0,A4B10C3_aP34_2_4i_10i_3i:Cu-O-Se +mp-1204253,Cu4Se3O10,-5.5749158305,-1.0836541702,0.0,-0.0053639879,GGA,P2_1/c,A4B10C3_mP272_14_16e_40e_12e:Cu-O-Se,272.0,A4B10C3_mP272_14_16e_40e_12e:Cu-O-Se +mp-1147782,BaCuO6,-5.1541399889,-0.6918507542,0.4040740464,0.4040740464,GGA,P1,ABC6_aP64_1_8a_8a_48a:Ba-Cu-O,64.0,ABC6_aP64_1_8a_8a_48a:Ba-Cu-O +mp-1048179,BaCu4O7,-5.4096346,-0.9977493834,0.2562447642,0.2562447642,GGA,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Cu-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Cu-O +mp-1193103,CuSeO5,-5.1308108364,-0.5124448787,0.3538723141,0.3538723141,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Cu-O-Se,28.0,AB5C_mP28_14_e_5e_e:Cu-O-Se +mp-1193978,CuSeO5,-5.0154658557,-0.397099898,0.4692172948,0.4692172948,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Cu-O-Se,28.0,AB5C_oP28_19_a_5a_a:Cu-O-Se +mp-1194215,CuSeO5,-5.2705329675,-0.6521670098,0.214150183,0.214150183,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Cu-O-Se,28.0,AB5C_oP28_19_a_5a_a:Cu-O-Se +mp-772788,Ba2Cu2O5,-6.0124654175,-1.9269313312,0.0,-0.0187796193,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Ba-Cu-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_33_5a_5a_17a:Ba-Cu-O, expected Ba5Cu5O17 to be Ba2Cu2O5" +mp-1097775,Ba2Cu2O5,-5.9113485156,-1.8258144293,0.1011169019,0.0823372827,GGA,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ba-Cu-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ba-Cu-O +mp-1228668,Ba2(CuO2)3,-5.8314317318,-1.6663678993,0.1220143495,0.0817452061,GGA,C2,A2B3C6_mC22_5_c_2ab_3c:Ba-Cu-O,11.0,A2B3C6_mC22_5_c_2ab_3c:Ba-Cu-O +mp-615789,Ba2(CuO2)3,-5.9534460814,-1.7883822489,0.0,-0.0402691434,GGA,P2/m,A2B3C6_mP44_10_2m2n_ik2o_6o:Ba-Cu-O,44.0,"Invalid WP multiplicities - A2B3C6_mP44_10_4m4n_2ik8o_21o:Ba-Cu-O, expected Ba8Cu19O42 to be Ba2(CuO2)3" +mp-25225,Ba2(CuO2)3,-5.8951715955,-1.730107763,0.0582744859,0.0180053425,GGA,Fmmm,A2B3C6_oF88_69_fg_hm_np:Ba-Cu-O,22.0,"Invalid WP multiplicities - A2B3C6_oF88_69_2fg_hm_n2p:Ba-Cu-O, expected Ba3Cu3O10 to be Ba2(CuO2)3" +mp-560049,CuSeO3,-5.580940329,-1.0939034727,0.0060154338,0.0060154338,GGA,P-1,AB3C_aP30_2_ab2i_9i_3i:Cu-O-Se,30.0,"Invalid WP multiplicities - AB3C_aP30_2_ab4i_17i_6i:Cu-O-Se, expected Cu5Se6O17 to be CuSeO3" +mp-554440,CuSeO3,-5.5720378477,-1.0850009915,0.014917915,0.014917915,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cu-O-Se,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_23e_7e:Cu-O-Se, expected Cu5Se7O23 to be CuSeO3" +mp-22688,CuSeO3,-5.5706111242,-1.083574268,0.0163446385,0.0163446385,GGA,Pbca,AB3C_oP40_61_c_3c_c:Cu-O-Se,40.0,AB3C_oP40_61_c_3c_c:Cu-O-Se +mp-22414,CuSeO3,-5.5545403285,-1.0675034722,0.0324154343,0.0324154343,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cu-O-Se,20.0,AB3C_oP20_62_a_cd_c:Cu-O-Se +mp-1521783,BaCu(SeO3)4,-5.2264436133,-0.8174384991,0.6234704489,0.6234704489,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Cu-O-Se,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Cu-O-Se, expected BaCu(SeO4)4 to be BaCu(SeO3)4" +mp-1076800,BaCuO3,-5.8355790160000005,-1.6639294672,0.0827329196,0.0827329196,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Cu-O,5.0,ABC3_cP5_221_a_b_c:Ba-Cu-O +mp-1147589,Ba2CuSeO2,-5.6099981283,-2.0555905533,0.0472734272,0.0472734272,GGA,P4/mmm,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-Se,6.0,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-Se +mp-12010,BaSeO4,-6.3573052262,-2.1570316825,0.0,-0.224662936,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ba-O-Se,24.0,AB4C_oP24_62_c_2cd_c:Ba-O-Se +mp-1147762,Ba2CuO4,-5.8542514179000005,-1.8936926471,0.213740372,0.213740372,GGA,I4/mmm,A2BC4_tI28_139_g_ab_2eh:Ba-Cu-O,14.0,"Invalid WP multiplicities - A2BC4_tI28_139_g_ab_3e2h:Ba-Cu-O, expected Ba2CuO7 to be Ba2CuO4" +mp-8790,Ba2CuO3,-6.0830810283,-2.2868772477,0.0,-0.0170504808,GGA,Immm,A2BC3_oI12_71_e_a_ce:Ba-Cu-O,6.0,A2BC3_oI12_71_e_a_ce:Ba-Cu-O +mp-1147525,Ba4Cu3SeO12,-5.9416399215,-1.8001551324,0.1562207381,0.1562207381,GGA,Im-3m,A4B3C12D_cI40_229_c_b_de_a:Ba-Cu-O-Se,20.0,"Invalid WP multiplicities - A4B3C12D_cI40_229_c_b_2de_a:Ba-Cu-O-Se, expected Ba4Cu3SeO18 to be Ba4Cu3SeO12" +mp-1096855,BaCuSeO,-5.1284899925,-1.5132945428,0.2141437575,0.2141437575,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cu-O-Se,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cu-O-Se +mp-28536,BaSe2O5,-6.1243960481,-1.9188658667,0.0,-0.0364673931,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ba-O-Se,32.0,AB5C2_mP32_14_e_5e_2e:Ba-O-Se +mp-7374,Ba(CuO)2,-5.619250708,-1.6170975675,0.0,-0.023016989,GGA,I4_1/amd,AB2C2_tI20_141_a_d_e:Ba-Cu-O,10.0,AB2C2_tI20_141_a_d_e:Ba-Cu-O +mp-6989,BaSeO3,-6.369833006,-2.3188424957,0.0,-0.1491378034,GGA,P2_1/m,AB3C_mP10_11_e_ef_e:Ba-O-Se,10.0,AB3C_mP10_11_e_ef_e:Ba-O-Se +mp-3199,CuSe2O5,-5.6125406188,-1.1344814711,0.0,-0.017387801,GGA,C2/c,AB5C2_mC32_15_a_e2f_f:Cu-O-Se,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_c_e3f_f:Cu-O-Se, expected CuSe2O7 to be CuSe2O5" +mp-766404,Ba8Cu8O19,-5.9683689186,-1.9074392502,0.037653098,0.037653098,GGA,P1,A8B8C19_aP35_1_8a_8a_19a:Ba-Cu-O,35.0,A8B8C19_aP35_1_8a_8a_19a:Ba-Cu-O +mp-1105447,Ba(SeO3)2,-5.1722928694,-0.8844117402,0.9386066381,0.9386066381,GGA,P-1,AB6C2_aP18_2_i_6i_2i:Ba-O-Se,18.0,AB6C2_aP18_2_i_6i_2i:Ba-O-Se +mp-1182383,Ba(SeO3)2,-5.1514277044,-0.8635465752,0.9594718031,0.9594718031,GGA,P-1,AB6C2_aP18_2_i_6i_2i:Ba-O-Se,18.0,AB6C2_aP18_2_i_6i_2i:Ba-O-Se +mp-5942,NaAsS2,-4.4128072794,-0.8491714213,0.0,-0.0489286692,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:As-Na-S,16.0,ABC2_mP16_14_e_e_2e:As-Na-S +mp-5830,Na3AsS3,-4.0702756864,-1.0651265599,0.0,-0.0521426111,GGA,P2_13,AB3C3_cP28_198_a_3a_b:As-Na-S,28.0,AB3C3_cP28_198_a_3a_b:As-Na-S +mp-7378,NaCdAs,-2.6796962233,-0.3781850705,0.0,-0.1005775994,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cd-Na,12.0,ABC_oP12_62_c_c_c:As-Cd-Na +mp-1078578,NaCd4As3,-2.5832893625,-0.2093594189,0.0,-0.0097188763,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:As-Cd-Na,8.0,A3B4C_hR24_166_ac_2c_b:As-Cd-Na +mp-1192203,NaCdAsS3,-4.0660360938,-0.8470555839,0.0136719817,0.0136719817,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Cd-Na-S,24.0,ABCD3_mP24_14_e_e_e_3e:As-Cd-Na-S +mp-1024033,Mg3SnO4,-5.8763851637,-2.3017393075,0.3963755544,0.3963755544,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Sn,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Sn, expected Mg3SnO7 to be Mg3SnO4" +mp-1343048,Mg2Sn2O5,-6.0208966794,-2.0261025276,0.41468963,0.41468963,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Mg-O-Sn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Mg-O-Sn, expected MgSnO6 to be Mg2Sn2O5" +mp-1364306,Mg(SnO2)2,-6.3231151668,-2.1222325089,0.1324001913,0.1324001913,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Mg-O-Sn,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Mg-O-Sn, expected Mg4Sn11O24 to be Mg(SnO2)2" +mp-1354740,Mg(SnO2)2,-6.3316229093,-2.1307402514,0.1238924488,0.1238924488,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-Sn,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Mg-O-Sn, expected Mg(SnO2)3 to be Mg(SnO2)2" +mp-1044619,Mg(SnO2)2,-6.1854103317,-1.9845276738,0.2701050264,0.2701050264,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-Sn,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a11b_6a6b:Mg-O-Sn, expected Mg3Sn9O17 to be Mg(SnO2)2" +mp-1044930,Mg(SnO2)2,-6.227082236,-2.0261995781,0.2284331221,0.2284331221,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-Sn,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a7b_6a5b:Mg-O-Sn, expected Mg3Sn8O13 to be Mg(SnO2)2" +mp-1389459,Mg(SnO2)2,-6.1634004336,-1.9625177757,0.2921149245,0.2921149245,GGA,C2/m,AB4C2_mC28_12_i_2ij_ace:Mg-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_4i3j_ac2e:Mg-O-Sn, expected MgSn3O10 to be Mg(SnO2)2" +mp-1042253,Mg(SnO2)2,-6.2970716071,-2.0961889493,0.1584437509,0.1584437509,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-Sn, expected MgSn3O7 to be Mg(SnO2)2" +mp-1047628,Mg(SnO2)2,-6.2931966107,-2.0923139529,0.1623187473,0.1623187473,GGA,P2_1/c,AB4C2_mP28_14_e_4e_2e:Mg-O-Sn,28.0,"Invalid WP multiplicities - AB4C2_mP28_14_e_13e_6e:Mg-O-Sn, expected MgSn6O13 to be Mg(SnO2)2" +mp-1041794,Mg(SnO2)2,-6.2933460832,-2.0924634254,0.1621692748,0.1621692748,GGA,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Mg-O-Sn,28.0,AB4C2_oP28_59_ab_2eg_ce:Mg-O-Sn +mp-1378846,Mg(SnO2)2,-6.2904785454,-2.0895958875,0.1650368127,0.1650368127,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-Sn,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-Sn +mp-1047303,Mg(SnO2)2,-6.0594962743,-1.8586136164,0.3960190838,0.3960190838,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Mg-O-Sn,14.0,AB4C2_oC28_63_c_acf_f:Mg-O-Sn +mp-1047267,Mg(SnO2)2,-6.1647150321,-1.9638323743,0.2908003259,0.2908003259,GGA,Imma,AB4C2_oI28_74_e_hi_ac:Mg-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_e_2h3i_2ac:Mg-O-Sn, expected MgSn3O10 to be Mg(SnO2)2" +mp-1047786,Mg(SnO2)2,-6.3461186921,-2.1452360343,0.1093966659,0.1093966659,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Mg-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Mg-O-Sn, expected Mg(SnO5)2 to be Mg(SnO2)2" +mp-1044609,Mg(SnO2)2,-6.2188951393,-2.0180124814,0.2366202188,0.2366202188,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Sn,14.0,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Sn +mp-1046867,Mg(SnO2)2,-6.1113606579,-1.910478,0.3441547002,0.3441547002,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-Sn,14.0,AB4C2_cF56_227_a_e_d:Mg-O-Sn +mp-1043943,MgSn3O7,-6.4678673991,-2.0809749815,0.20681617,0.20681617,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Mg-O-Sn,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Mg-O-Sn, expected MgSn5O7 to be MgSn3O7" +mp-1374431,Mg3Sn2O7,-6.4880835321,-2.5341831289,0.0676646862,0.0676646862,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Mg-O-Sn,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Mg-O-Sn, expected Mg3Sn2O9 to be Mg3Sn2O7" +mp-861243,Cs2SnO3,-5.34202992,-1.9019561312,0.0,-0.0622548294,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-O-Sn,12.0,"Invalid WP multiplicities - A2B3C_oC24_63_g_c2e_c:Cs-O-Sn, expected Cs2SnO5 to be Cs2SnO3" +mp-540796,Cs2Sn2O3,-5.2449659729,-1.7235353174,0.0,-0.0867489395,GGA,Pnma,A2B3C2_oP28_62_2c_cd_2c:Cs-O-Sn,28.0,A2B3C2_oP28_62_2c_cd_2c:Cs-O-Sn +mp-755856,Mg2SnO4,-6.4580897243,-2.60139161,0.0709587214,0.056583935,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Mg-O-Sn,14.0,"Invalid WP multiplicities - A2B4C_oP14_55_g_2g3h_b:Mg-O-Sn, expected Mg2SnO10 to be Mg2SnO4" +mp-34022,Mg2SnO4,-6.5290484457,-2.6723503314,0.0,-0.0143747864,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mg-O-Sn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Mg-O-Sn, expected Mg2SnO10 to be Mg2SnO4" +mp-973261,Mg2SnO4,-6.5012594979,-2.6445613836,0.0277889479,0.0134141614,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Mg-O-Sn,14.0,A2B4C_cF56_227_c_e_b:Mg-O-Sn +mp-17213,Cs4SnO4,-4.7921512453,-1.7501583355,0.0,-0.0858362119,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Cs-O-Sn,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_5e_6e_e:Cs-O-Sn, expected Cs5SnO6 to be Cs4SnO4" +mp-1401498,Mg2Sn3O8,-6.5315842777,-2.3159854042,0.0960479438,0.0960479438,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Sn,13.0,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Sn +mp-1042442,Mg2Sn3O8,-6.5839038804,-2.3683050069,0.0437283412,0.0437283412,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Mg-O-Sn,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Mg-O-Sn, expected Mg2(SnO4)3 to be Mg2Sn3O8" +mp-1411248,MgSnO2,-5.9572844825,-2.0814771506,0.2607122738,0.2607122738,GGA,P1,AB2C_aP16_1_4a_8a_4a:Mg-O-Sn,16.0,AB2C_aP16_1_4a_8a_4a:Mg-O-Sn +mp-1390005,MgSnO2,-6.0417134625,-2.1659061306,0.1762832938,0.1762832938,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Mg-O-Sn, expected Mg2Sn3O7 to be MgSnO2" +mp-1045965,MgSnO2,-6.0163746563,-2.1405673244,0.2016221,0.2016221,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Mg-O-Sn, expected Mg2Sn3O7 to be MgSnO2" +mp-1048412,MgSnO2,-5.9745581,-2.0987507681,0.2434386563,0.2434386563,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Mg-O-Sn, expected Mg2Sn3O7 to be MgSnO2" +mp-1933075,MgSn2O5,-6.3374829856,-2.0433745711,0.3117144369,0.3117144369,GGA,P2/c,AB5C2_mP16_13_e_f2g_g:Mg-O-Sn,16.0,AB5C2_mP16_13_e_f2g_g:Mg-O-Sn +mp-1384513,MgSn2O5,-6.3358316863,-2.0417232717,0.3133657362,0.3133657362,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Mg-O-Sn,16.0,AB5C2_mP16_13_e_f2g_g:Mg-O-Sn +mp-1042980,MgSn2O5,-6.61772468,-2.3236162655,0.0314727425,0.0314727425,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-Sn,16.0,AB5C2_oC32_63_c_c2f_f:Mg-O-Sn +mp-984756,CsMgO3,-4.796850304,-1.3297005928,0.4803328999999999,0.4803328999999999,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Mg-O,5.0,ABC3_cP5_221_a_b_c:Cs-Mg-O +mp-1046228,Mg(SnO2)4,-6.4305845269,-2.0296555146,0.1574529551,0.1574529551,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-Sn,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-Sn +mp-1047978,Mg(SnO2)4,-6.2498703577,-1.8489413454,0.3381671243,0.3381671243,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-Sn,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-Sn +mp-1043644,Mg(SnO2)4,-6.3819052515,-1.9809762392,0.2061322305,0.2061322305,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-O-Sn,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-O-Sn, expected Mg(Sn2O7)2 to be Mg(SnO2)4" +mp-1045725,Mg2Sn9O13,-6.2057502096,-1.8893477079,0.1056649579,0.1056649579,GGA,C2/m,A2B13C9_mC48_12_i_a6i_d4i:Mg-O-Sn,24.0,A2B13C9_mC48_12_i_a6i_d4i:Mg-O-Sn +mp-1180444,MgSnO6,-5.237200155,-0.8259521334000001,0.7385130492,0.7385130492,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Mg-O-Sn,8.0,AB6C_cF32_225_a_e_b:Mg-O-Sn +mp-984745,CsSnO3,-5.480339814,-1.5313317418,0.2689219153,0.2689219153,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Sn,5.0,AB3C_cP5_221_a_c_b:Cs-O-Sn +mp-1234964,Cs8Mg(Sn2O3)4,-5.0679414269,-1.6127573441,0.1374378306,0.1374378306,GGA,P1,A8BC12D8_aP29_1_8a_a_12a_8a:Cs-Mg-O-Sn,29.0,A8BC12D8_aP29_1_8a_a_12a_8a:Cs-Mg-O-Sn +mp-1234669,Cs8Mg(Sn2O3)4,-5.0644583183,-1.6092742355,0.1409209392,0.1409209392,GGA,P-1,A8BC12D8_aP29_2_4i_a_6i_4i:Cs-Mg-O-Sn,29.0,"Invalid WP multiplicities - A8BC12D8_aP29_2_4i_a_10i_4i:Cs-Mg-O-Sn, expected Cs8Mg(Sn2O5)4 to be Cs8Mg(Sn2O3)4" +mp-1234156,Cs8Mg(Sn2O3)4,-5.0629897172,-1.6078056344,0.1423895403,0.1423895403,GGA,Pm,A8BC12D8_mP29_6_4a4b_a_2a2b4c_4a4b:Cs-Mg-O-Sn,29.0,"Invalid WP multiplicities - A8BC12D8_mP29_6_4a4b_a_2a2b8c_4a4b:Cs-Mg-O-Sn, expected Cs8Mg(Sn2O5)4 to be Cs8Mg(Sn2O3)4" +mp-1041400,MgSn4O9,-6.4824391886,-2.0425273406,0.2068078929,0.2068078929,GGA,P4/n,AB9C4_tP28_85_c_a2g_g:Mg-O-Sn,28.0,AB9C4_tP28_85_c_a2g_g:Mg-O-Sn +mp-1178409,Cs2MgO2,-4.5282704805,-1.8713780372,0.0636705475,0.0636705475,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:Cs-Mg-O,40.0,"Invalid WP multiplicities - A2BC2_mP40_14_15e_5e_13e:Cs-Mg-O, expected Cs15Mg5O13 to be Cs2MgO2" +mp-769348,MgSnO3,-6.520117402,-2.4301337942,0.073010498,0.073010498,GGA,Pnma,AB3C_oP20_62_c_cd_a:Mg-O-Sn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Mg-O-Sn, expected MgSnO7 to be MgSnO3" +mp-1176491,MgSnO3,-6.589533251,-2.4995496433,0.003594649,0.003594649,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-O-Sn,10.0,AB3C_hR30_148_c_f_c:Mg-O-Sn +mp-1016820,MgSnO3,-5.963253124,-1.8732695163,0.6298747760000001,0.6298747760000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Sn,5.0,AB3C_cP5_221_a_c_b:Mg-O-Sn +mp-1191757,La4CoS7,-6.6682513538,-2.0176267468,0.1808555471,0.1808555471,GGA,P2_1,AB4C7_mP24_4_a_4a_7a:Co-La-S,24.0,AB4C7_hP24_173_a_bc_b2c:Co-La-S +mp-21173,In2CoS4,-4.8475377071,-0.6821827468,0.1195592556,0.1195592556,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Co-In-S,14.0,AB2C4_cF56_227_a_d_e:Co-In-S +mp-1192284,La3InCoS7,-6.2620975992,-1.7934999402,0.066162668,0.066162668,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Co-In-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Co-In-La-S +mp-1192173,La3Co2S7,-6.542575255,-1.7109247572,0.1196501944,0.1196501944,GGA,P6_3,A2B3C7_hP24_173_ab_c_b2c:Co-La-S,24.0,A2B3C7_hP24_173_ab_c_b2c:Co-La-S +mp-1212111,La12InCo6,-5.6777174411,-0.1706818747,0.0,-0.0277851797,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-In-La,19.0,A6BC12_cI38_204_e_a_g:Co-In-La +mp-540877,La3InS6,-6.3256216995,-2.0877812749,0.0,-0.0061302815,GGA,P2_12_12,AB3C6_oP40_18_ab_3c_6c:In-La-S,40.0,AB3C6_oP40_18_ab_3c_6c:In-La-S +mp-19804,In2Co3S2,-5.4778655129,-0.4634054302,0.0,-0.0234709383,GGA,R-3m,A3B2C2_hR21_166_d_ab_c:Co-In-S,7.0,A3B2C2_hR21_166_d_ab_c:Co-In-S +mp-1224749,La9In5S21,-6.0490001714,-1.9047736057,0.004011929,0.004011929,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:In-La-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:In-La-S, expected La24In5S51 to be La9In5S21" +mp-21571,La4In5S13,-5.539323415,-1.5722190814,0.0136119082,0.0136119082,GGA,Pbam,A5B4C13_oP44_55_a2h_2g_c2g4h:In-La-S,44.0,A5B4C13_oP44_55_a2h_2g_c2g4h:In-La-S +mp-1203758,La6InCo13,-6.3561585755,-0.1173656908,0.0060706383,0.0060706383,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Co-In-La,40.0,A13BC6_tI80_140_dk2l_a_fl:Co-In-La +mp-21414,LaIn5Co,-3.9582827286,-0.2721765071,0.0048272683,0.0048272683,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-In-La,7.0,AB5C_tP7_123_b_ci_a:Co-In-La +mp-1202244,La18In3Co28,-6.1906236565,-0.1470302414,0.0,-0.0103619157,GGA,I4/mmm,A28B3C18_tI98_139_hno_ae_cijm:Co-In-La,49.0,A28B3C18_tI98_139_hno_ae_cijm:Co-In-La +mp-1210129,NdMn7O12,-8.6496156785,-2.2364897279,0.029385818,0.029385818,GGA+U,Im-3,A7BC12_cI40_204_bc_a_g:Mn-Nd-O,20.0,"Invalid WP multiplicities - A7BC12_cI40_204_3b2c_a_g:Mn-Nd-O, expected NdMn17O12 to be NdMn7O12" +mp-2214642,Mn3SbO8,-7.6984466808,-1.766066947,0.105584412,0.105584412,GGA+U,C2/m,A3B8C_mC24_12_ae_2ij_b:Mn-O-Sb,12.0,"Invalid WP multiplicities - A3B8C_mC24_12_af_4i2j_b:Mn-O-Sb, expected Mn3SbO16 to be Mn3SbO8" +mp-774390,Mn3SbO8,-7.7073794746,-1.7749997407,0.0966516182,0.0966516182,GGA+U,P4_32_12,A3B8C_tP48_96_ab_4b_a:Mn-O-Sb,48.0,"Invalid WP multiplicities - A3B8C_tP48_96_3a2b_29b_a:Mn-O-Sb, expected Mn7SbO58 to be Mn3SbO8" +mp-774654,Mn3SbO8,-7.7468640888,-1.8144843549,0.0571670041,0.0571670041,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mn-O-Sb,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Mn-O-Sb, expected Mn3SbO30 to be Mn3SbO8" +mp-754269,Nd3SbO7,-8.1196923564,-3.2960319458000003,0.0096478105,-0.0495307102,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Nd-O-Sb,22.0,A3B7C_oC44_63_ag_cgh_b:Nd-O-Sb +mp-769366,Nd3SbO7,-8.1293401668,-3.3056797562,0.0,-0.0591785207,GGA,Cmcm,A3B7C_oC44_63_ag_3ch_b:Nd-O-Sb,22.0,A3B7C_oC44_63_ag_3ch_b:Nd-O-Sb +mp-18755,NdMnSbO,-7.5291012325,-1.7776380635,0.0741558171,0.0741558171,GGA+U,P4/nmm,ABCD_tP8_129_a_c_b_c:Mn-Nd-O-Sb,8.0,ABCD_tP8_129_a_c_b_c:Mn-Nd-O-Sb +mp-1191901,Nd3Mn2Sb3O14,-7.8911210141,-2.6970701705,0.0,-0.0418731557,GGA+U,R-3m,A2B3C14D3_hR66_166_ab_d_c2h_e:Mn-Nd-O-Sb,22.0,A2B3C14D3_hR66_166_ab_d_c2h_e:Mn-Nd-O-Sb +mp-1209788,Nd2MnSb2O,-5.7595775467,-0.4424106553,1.2181396648,1.2181396648,GGA+U,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Mn-Nd-O-Sb,6.0,AB2CD2_tP6_123_a_g_b_g:Mn-Nd-O-Sb +mp-1220313,Nd2SbO2,-7.624063124,-2.9123284185,0.0,-0.0351603427,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Nd-O-Sb,5.0,A2B2C_tI10_139_e_d_a:Nd-O-Sb +mp-541741,Mn2Sb2O7,-7.5286080355,-1.9641667588,0.0174086058,0.0174086058,GGA+U,P3_121,A2B7C2_hP66_152_abc_7c_abc:Mn-O-Sb,66.0,"Invalid WP multiplicities - A2B7C2_hP66_152_2a3b4c_38c_3a3b3c:Mn-O-Sb, expected Mn13(Sb3O19)4 to be Mn2Sb2O7" +mp-1190856,Mn2Sb2O7,-7.5166635741,-1.9522222975,0.0293530672,0.0293530672,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Mn-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Mn-O-Sb +mp-530644,Nd9Mn10O30,-8.617990329,-2.843824183,0.030763985,0.030763985,GGA+U,P1,A10B9C30_aP98_1_20a_18a_60a:Mn-Nd-O,98.0,A10B9C30_aP98_1_20a_18a_60a:Mn-Nd-O +mp-13195,NdSbO4,-7.58064392,-2.7999933338,0.0,-0.1142941136,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Nd-O-Sb,24.0,AB4C_mP24_14_e_4e_e:Nd-O-Sb +mp-1173621,Nd20Mn20O59,-8.714261907000001,-2.9520610135,0.0137245533,0.0137245533,GGA+U,P1,A20B20C59_aP99_1_20a_20a_59a:Mn-Nd-O,99.0,A20B20C59_aP99_1_20a_20a_59a:Mn-Nd-O +mp-1276416,MnSbO4,-7.4060584525,-1.8930965563,0.0435280256,0.0435280256,GGA+U,P1,AB4C_aP24_1_4a_16a_4a:Mn-O-Sb,24.0,AB4C_aP24_1_4a_16a_4a:Mn-O-Sb +mp-1293636,MnSbO4,-7.3993041804,-1.8863422842,0.0502822977,0.0502822977,GGA+U,Cm,AB4C_mC48_8_4a_16a_4a:Mn-O-Sb,24.0,AB4C_mC48_8_4a_16a_4a:Mn-O-Sb +mp-755527,MnSbO4,-7.3736704812,-1.8607085851,0.0759159969,0.0759159969,GGA+U,P2/m,AB4C_mP6_10_b_mn_c:Mn-O-Sb,24.0,AB4C_mP6_10_b_mn_c:Mn-O-Sb +mp-1280914,MnSbO4,-7.4171439604,-1.9041820642,0.0324425177,0.0324425177,GGA+U,C222_1,AB4C_oC24_20_a_2ac_b:Mn-O-Sb,24.0,"Invalid WP multiplicities - AB4C_oC24_20_a_4ac_b:Mn-O-Sb, expected MnSbO6 to be MnSbO4" +mp-755412,MnSbO4,-7.3859143475,-1.8729524513,0.0636721306,0.0636721306,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Mn-O-Sb,24.0,AB4C_tI12_119_a_ef_c:Mn-O-Sb +mp-753773,Mn5SbO12,-7.8410186511,-1.7688329714000002,0.0811606466,0.0811606466,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Mn-O-Sb,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2g2h_3i4j_c:Mn-O-Sb, expected Mn9SbO22 to be Mn5SbO12" +mp-1173614,Nd20Mn19O60,-8.6746342247,-2.9550123876,0.006172181,0.006172181,GGA+U,P-1,A19B20C60_aP99_2_acf8i_10i_30i:Mn-Nd-O,99.0,"Invalid WP multiplicities - A19B20C60_aP99_2_acf16i_18i_58i:Mn-Nd-O, expected Nd36Mn35O116 to be Nd20Mn19O60" +mp-3782,Nd3Sb5O12,-7.3225794847,-2.6070938331,0.0,-0.0587612679,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Nd-O-Sb,40.0,A3B12C5_cI80_217_d_2g_ce:Nd-O-Sb +mp-19393,NdMn2O5,-8.5889703166,-2.61076762,0.0,-0.080582879,GGA+U,Pbam,A2BC5_oP32_55_eg_h_fghi:Mn-Nd-O,32.0,A2BC5_oP32_55_eg_h_fghi:Mn-Nd-O +mp-1182197,NdMnO3,-4.7472334365,1.0068123352,3.9710545235,3.9511163271,GGA+U,P2_1/c,ABC3_mP20_14_ab_e_3e:Mn-Nd-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_2a2d_e_11e:Mn-Nd-O, expected NdMn2O11 to be NdMnO3" +mp-1189476,NdMnO3,-8.7069455915,-2.9528998198,0.0113423685,-0.0085958279,GGA+U,P2_1/c,ABC3_mP20_14_ab_e_3e:Mn-Nd-O,20.0,ABC3_mP20_14_ab_e_3e:Mn-Nd-O +mp-20852,NdMnO3,-8.71828796,-2.9642421883,0.0,-0.0199381964,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Mn-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Mn-Nd-O +mp-1220485,Nd2Mn3Sb3O14,-7.8424013568,-2.4486292469,0.0158051682,0.0158051682,GGA+U,C2/m,A3B2C14D3_mC44_12_abc_f_3i2j_de:Mn-Nd-O-Sb,22.0,"Invalid WP multiplicities - A3B2C14D3_mC44_12_abc_e_5i6j_df:Mn-Nd-O-Sb, expected Nd2Mn3Sb3O34 to be Nd2Mn3Sb3O14" +mp-757065,Mn(SbO3)4,-6.7322934541,-1.7300414078,0.0228744286,0.0228744286,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Mn-O-Sb,17.0,AB12C4_aP17_1_a_12a_4a:Mn-O-Sb +mp-771391,Mn5Sb3O16,-7.5281054612,-1.8054346462,0.0987033242,0.0987033242,GGA+U,Cm,A5B16C3_mC48_8_3ab_8a4b_ab:Mn-O-Sb,24.0,"Invalid WP multiplicities - A5B16C3_mC48_8_3ab_8a6b_ab:Mn-O-Sb, expected Mn5Sb3O20 to be Mn5Sb3O16" +mp-19231,Mn(SbO2)2,-7.1682194411,-1.8529662101,0.0,-0.0355069704,GGA+U,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Mn-O-Sb,28.0,AB4C2_tP28_135_d_gh_h:Mn-O-Sb +mp-1206341,NdSbO3,-6.823705786,-2.0762628247,0.7686863123000001,0.7686863123000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Nd-O-Sb,5.0,AB3C_cP5_221_a_c_b:Nd-O-Sb +mp-690561,Mn(SbO3)2,-7.1565164394,-1.923166435,0.0567736289,-0.040931826,GGA+U,C2/m,AB6C2_mC36_12_i_g3ij_aci:Mn-O-Sb,36.0,AB6C2_mC36_12_i_g3ij_adi:Mn-O-Sb +mp-763546,Mn(SbO3)2,-7.1986796953,-1.9653296909,0.0146103731,-0.0830950818,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Mn-O-Sb,36.0,AB6C2_tP18_136_a_fj_e:Mn-O-Sb +mp-22576,Mn(SbO3)2,-7.2132900683,-1.9799400639,0.0,-0.0977054549,GGA+U,P321,AB6C2_hP27_150_e_3g_adf:Mn-O-Sb,54.0,AB6C2_hP27_150_e_3g_adf:Mn-O-Sb +mp-1078318,Mn(SbO3)2,-7.1993682886,-1.9660182842,0.0139217797,-0.0837836751,GGA+U,P-31m,AB6C2_hP9_162_a_k_d:Mn-O-Sb,36.0,AB6C2_hP9_162_a_k_d:Mn-O-Sb +mp-1221717,MnCrSeS,-7.23571419,-0.6238581633,0.1442802624,0.1442802624,GGA,R3m,ABCD_hR12_160_a_a_a_a:Cr-Mn-S-Se,4.0,ABCD_hR12_160_a_a_a_a:Cr-Mn-S-Se +mp-1222474,Mn2Cr13S20,-7.3856119277,-0.9129649268,0.0491099837,0.0491099837,GGA,P-1,A13B2C20_aP35_2_a6i_i_10i:Cr-Mn-S,35.0,"Invalid WP multiplicities - A13B2C20_aP35_2_a12i_i_18i:Cr-Mn-S, expected Mn2Cr25S36 to be Mn2Cr13S20" +mp-1221770,MnCr2Se3S,-6.9676556343,-0.8116135583,0.0125631184,0.0125631184,GGA,Cm,A2BCD3_mC14_8_2a_a_a_3a:Cr-Mn-S-Se,7.0,A2BCD3_mC14_8_2a_a_a_3a:Cr-Mn-S-Se +mp-1078000,Mn(CrS2)2,-7.3315155471,-0.9009570186,0.0843070879,0.03823345,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Mn-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Mn-S +mp-15974,Mn(CrS2)2,-7.415822635,-0.9852641065,0.0,-0.0460736379,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Mn-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Mn-S +mp-1221710,MnCr2(SeS)2,-7.1248346314,-0.8772870713,0.0005854154,0.0005854154,GGA,F-43m,A2BC2D2_cF56_216_e_ac_e_e:Cr-Mn-S-Se,14.0,A2BC2D2_cF56_216_e_ac_e_e:Cr-Mn-S-Se +mp-1221540,Mn2SeS,-6.8240327225,-0.3349347403,0.3628489337,0.3628489337,GGA,R-3m,A2BC_hR12_166_c_a_b:Mn-S-Se,4.0,A2BC_hR12_166_c_a_b:Mn-S-Se +mp-1262123,Al13(CuS8)3,-5.1004215135,-1.0937989484,0.0979581067,0.0979581067,GGA,Cm,A13B3C24_mC80_8_7a3b_3a_12a6b:Al-Cu-S,40.0,"Invalid WP multiplicities - A13B3C24_mC80_8_7a6b_3a_12a12b:Al-Cu-S, expected Al19(CuS12)3 to be Al13(CuS8)3" +mp-1258739,Al14(CuS8)3,-5.1895474766,-1.189291905,0.0472000486,0.0472000486,GGA,Cm,A14B3C24_mC82_8_8a3b_3a_12a6b:Al-Cu-S,41.0,"Invalid WP multiplicities - A14B3C24_mC82_8_8a6b_3a_12a12b:Al-Cu-S, expected Al20(CuS12)3 to be Al14(CuS8)3" +mp-4979,AlCuS2,-5.0898705612,-1.0604500028,0.0,-0.0735209229,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Cu-S,8.0,ABC2_tI16_122_a_b_d:Al-Cu-S +mp-1096827,AlCuS2,-4.9858717725,-0.9564512141,0.1039987887,0.0304778658,GGA,R3m,ABC2_hR12_160_a_a_2a:Al-Cu-S,4.0,ABC2_hR12_160_a_a_2a:Al-Cu-S +mp-1067509,AlCuS2,-4.198271945,-0.1688513866,0.8915986162,0.8180776933,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cu-S,4.0,ABC2_cF16_225_a_b_c:Al-Cu-S +mp-1345658,Al(CuS2)3,-4.4722188025000005,-0.3860292984,0.297755246,0.297755246,GGA,I-42d,AB3C6_tI40_122_a_bc_de:Al-Cu-S,20.0,"Invalid WP multiplicities - AB3C6_tI40_122_a_2b3c_4d4e:Al-Cu-S, expected Al(CuS3)8 to be Al(CuS2)3" +mp-35267,Al5CuS8,-5.2732883871,-1.2790966189,0.0,-0.005865043,GGA,F-43m,A5BC8_cF56_216_ae_c_2e:Al-Cu-S,14.0,A5BC8_cF56_216_ae_c_2e:Al-Cu-S +mp-1264825,Al2(CuS2)3,-4.8312339577,-0.7760093331,0.1132290977,0.1132290977,GGA,I-42d,A2B3C6_tI44_122_c_ac_de:Al-Cu-S,22.0,"Invalid WP multiplicities - A2B3C6_tI44_122_c_2a3c_2d3e:Al-Cu-S, expected Al(CuS2)4 to be Al2(CuS2)3" +mp-1228961,AlCuSnS4,-4.96781685,-0.9106520182,0.0,-0.0003602121,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Al-Cu-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Al-Cu-S-Sn, expected AlCuSnS8 to be AlCuSnS4" +mp-1025361,Gd2Re2Si2C,-11.0307976214,-0.5849975639,0.0,-0.0838869304,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Gd-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Gd-Re-Si +mp-1105253,Gd(Re2Si)2,-11.1180238429,-0.44589998,0.0,-0.1070835214,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Gd-Re-Si,14.0,AB4C2_tP14_136_a_i_f:Gd-Re-Si +mp-1198764,Gd2Re3Si5,-9.8186616285,-0.55742001,0.0,-0.0341488648,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Gd-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Gd-Re-Si +mp-864979,Gd2ReC2,-12.1783520475,-0.3675315175,0.0,-0.176057187,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Gd-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Gd-Re +mp-5056,Mn2SiS4,-6.6215409718,-0.8650912458000001,0.0267831489,0.0267831489,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mn-S-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Mn-S-Si +mp-1202775,Nd4(SiS4)3,-6.1978422676000005,-1.7248979401,0.0117077761,0.0117077761,GGA,R3c,A4B12C3_hR114_161_ab_4b_b:Nd-S-Si,38.0,A4B12C3_hR114_161_ab_4b_b:Nd-S-Si +mp-1197061,Nd2SiS5,-6.1511009203,-1.6956181416,0.1725671848,0.1725671848,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Nd-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:Nd-S-Si +mp-1209955,Nd2SiS5,-6.3204709725,-1.8649881938,0.0031971326,0.0031971326,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Nd-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:Nd-S-Si +mp-685265,Nd6MnS10,-6.7848093171,-2.1297858726,0.0479482078,0.0479482078,GGA,P1,AB6C10_aP68_1_4a_24a_40a:Mn-Nd-S,68.0,AB6C10_aP68_1_4a_24a_40a:Mn-Nd-S +mp-1192482,Nd4MnS7,-6.76830154,-2.0024886992,0.0988324375,0.0988324375,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Mn-Nd-S,24.0,AB4C7_hP24_173_a_bc_b2c:Mn-Nd-S +mp-555407,Nd6Si4S17,-6.24467071,-1.7769001747000002,0.0,-0.0067656176,GGA,P-1,A6B17C4_aP54_2_6i_17i_4i:Nd-S-Si,54.0,"Invalid WP multiplicities - A6B17C4_aP54_2_11i_34i_7i:Nd-S-Si, expected Nd11Si7S34 to be Nd6Si4S17" +mp-1220237,Nd6Mn(SiS7)2,-6.546264073,-1.9144451999,0.0,-0.0317846287,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Mn-Nd-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Mn-Nd-S-Si +mp-770413,LaHoO3,-8.746057896,-3.8743614743,0.0803072915,0.0803072915,GGA,P2_1/c,ABC3_mP20_14_ab_e_3e:Ho-La-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_2a2d_e_9e:Ho-La-O, expected LaHo2O9 to be LaHoO3" +mp-756166,LaHoO3,-8.792727639,-3.9210312173,0.0336375485,0.0336375485,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ho-La-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Ho-La-O, expected LaHoO7 to be LaHoO3" +mp-5152,La2SiO5,-8.78311836,-3.7792713855,0.0,-0.0357372519,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:La-O-Si,32.0,A2B5C_mP32_14_2e_5e_e:La-O-Si +mp-752717,La2SiO5,-8.774958545,-3.7711115705,0.008159815,-0.0275774369,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:La-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_5f_15f_f:La-O-Si, expected La5SiO15 to be La2SiO5" +mp-771045,La2SiO5,-8.7334001144,-3.7295531398,0.0497182456,0.0139809938,GGA,C2/c,A2B5C_mC96_15_3f_e7f_ef:La-O-Si,48.0,"Invalid WP multiplicities - A2B5C_mC96_15_5f_2e21f_e2f:La-O-Si, expected La10Si5O44 to be La2SiO5" +mp-17065,Ho2SiO5,-8.7185865375,-3.8031391217,0.0,-0.013286261,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ho-O-Si,32.0,A2B5C_mP32_14_2e_5e_e:Ho-O-Si +mp-18639,La2Si2O7,-8.6968654339,-3.6650953203,0.0096668148,-0.0252528339,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:La-O-Si,44.0,A2B7C2_aP44_2_4i_14i_4i:La-O-Si +mp-5732,La2Si2O7,-8.7065322486,-3.6747621351,0.0,-0.0349196486,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:La-O-Si,44.0,A2B7C2_mP44_14_2e_7e_2e:La-O-Si +mp-706477,La2Si2O7,-7.8363423175,-2.8045722040000003,0.8701899311,0.8352702825,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:La-O-Si,44.0,"Invalid WP multiplicities - A2B7C2_mP44_14_3e_23e_6e:La-O-Si, expected La3Si6O23 to be La2Si2O7" +mp-555800,La2Si2O7,-8.6818441472,-3.6500740337,0.0246881014,-0.0102315472,GGA,P2_1/c,A2B7C2_mP132_14_6e_21e_6e:La-O-Si,132.0,"Invalid WP multiplicities - A2B7C2_mP132_14_20e_84e_18e:La-O-Si, expected La10(Si3O14)3 to be La2Si2O7" +mp-5974,La2Si2O7,-8.6979507168,-3.6661806033,0.0085815318,-0.0263381168,GGA,P4_1,A2B7C2_tP88_76_4a_14a_4a:La-O-Si,88.0,"Invalid WP multiplicities - A2B7C2_tP88_76_4a_17a_4a:La-O-Si, expected La4Si4O17 to be La2Si2O7" +mp-1222979,LaHoSi2O7,-8.6765587525,-3.6769339331,0.0,-0.0002123893,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ho-La-O-Si,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ho-La-O-Si +mp-531302,La10(Si2O9)3,-8.7392483834,-3.7282582803,0.0242781807,0.0242781807,GGA,Pc,A10B27C6_mP86_7_10a_27a_6a:La-O-Si,86.0,A10B27C6_mP86_7_20a_54a_12a:La-O-Si +mp-555465,La10Si8O3,-6.5609666229,-1.4370294122,0.0305707193,0.0305707193,GGA,P6/mmm,A10B3C8_hP21_191_agl_f_dk:La-O-Si,21.0,"Invalid WP multiplicities - A10B3C8_hP21_191_a3g4l_f_2d3k:La-O-Si, expected La34Si22O3 to be La10Si8O3" +mp-1185023,La2Si2O5,-7.7522263811,-2.7015492893,0.6578030533,0.6578030533,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:La-O-Si,9.0,A2B5C2_tP9_123_ab_ci_h:La-O-Si +mp-16809,Ho2Si2O7,-8.6340871327,-3.6666076074,0.012073345,-0.0094067673,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ho-O-Si,44.0,A2B7C2_aP44_2_4i_14i_4i:Ho-O-Si +mp-18662,Ho2Si2O7,-8.6461604777,-3.6786809524,0.0,-0.0214801123,GGA,Pnma,A2B7C2_oP44_62_d_3c2d_2c:Ho-O-Si,44.0,A2B7C2_oP44_62_d_3c2d_2c:Ho-O-Si +mp-1184813,HoSiO3,-7.757031606,-2.7874729992,0.7570571733,0.7570571733,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ho-O-Si,5.0,AB3C_cP5_221_a_c_b:Ho-O-Si +mp-852194,La2(SiO3)3,-5.5393424957,-0.4916163028,3.0959893939,3.0959893939,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:La-O-Si,28.0,"Invalid WP multiplicities - A2B9C3_aP28_2_3i_17i_5i:La-O-Si, expected La3Si5O17 to be La2(SiO3)3" +mp-756325,La2(SiO3)3,-8.5360530171,-3.4883268242,0.0992788725,0.0992788725,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:La-O-Si,28.0,"Invalid WP multiplicities - A2B9C3_aP28_2_3i_17i_5i:La-O-Si, expected La3Si5O17 to be La2(SiO3)3" +mp-756888,La2(SiO3)3,-8.606390191100001,-3.5586639981,0.0289416986,0.0289416986,GGA,P6_3/m,A2B9C3_hP28_176_f_hi_h:La-O-Si,28.0,"Invalid WP multiplicities - A2B9C3_hP28_176_f_4h3i_h:La-O-Si, expected La2(SiO10)3 to be La2(SiO3)3" +mp-1211451,La5Si3O13,-8.6795928257,-3.6670717371,0.0535225872,0.0535225872,GGA,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:La-O-Si,42.0,"Invalid WP multiplicities - A5B13C3_hP42_176_2fh_a2hi_h:La-O-Si, expected La7Si3O13 to be La5Si3O13" +mp-1220542,Nd2Fe17N2,-8.2624415938,-0.1576965802,0.1346821752,0.1346821752,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_e_i:Fe-N-Nd,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_f_i:Fe-N-Nd, expected Nd2Fe25N2 to be Nd2Fe17N2" +mp-510619,Fe3Mo3N,-9.6548623896,-0.1857896918,0.0,-0.0264329493,GGA,Fd-3m,A3B3C_cF112_227_ce_f_d:Fe-Mo-N,28.0,A3B3C_cF112_227_ce_f_d:Fe-Mo-N +mp-644758,Fe2Mo4N,-9.9452997243,-0.1368514693,0.0391142137,0.0391142137,GGA,Fd-3m,A2B4C_cF112_227_e_cf_d:Fe-Mo-N,28.0,"Invalid WP multiplicities - A2B4C_cF112_227_e_3c3f_d:Fe-Mo-N, expected Fe2Mo12N to be Fe2Mo4N" +mp-1225023,Fe3Mo5N8,-9.5651553244,-0.4195132256,0.0404204814,0.0404204814,GGA,C2/m,A3B5C8_mC32_12_ai_d2i_4i:Fe-Mo-N,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ai_c4i_8i:Fe-Mo-N, expected Fe3Mo9N16 to be Fe3Mo5N8" +mp-1220279,NdFe10Mo2N,-8.6243045764,-0.0888649566,0.1319386486,0.1319386486,GGA,Immm,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Nd,14.0,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Nd +mp-1225260,Fe4Mo2N,-9.2406870971,-0.1109899564,0.0600637221,0.0600637221,GGA,I-4m2,A4B2C_tI56_119_g3i_efh_i:Fe-Mo-N,28.0,A4B2C_tI56_119_g3i_efh_i:Fe-Mo-N +mp-1220727,Nd2Fe20Mo4N,-8.5747802078,-0.0319722659,0.0833064012,0.0833064012,GGA,C2/m,A20B4CD2_mC54_12_ef6ij_2i_a_bc:Fe-Mo-N-Nd,27.0,"Invalid WP multiplicities - A20B4CD2_mC54_12_2e2f9ij_3i_b_ac:Fe-Mo-N-Nd, expected Nd2Fe30Mo6N to be Nd2Fe20Mo4N" +mp-4383,Nd2Fe17N3,-8.3597199127,-0.2444408123,0.063416143,0.063416143,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Nd,22.0,"Invalid WP multiplicities - A17B3C2_hR66_166_2cdfh_e_c:Fe-N-Nd, expected Nd2Fe19N3 to be Nd2Fe17N3" +mp-8622,Rb2PtSe2,-4.079346542,-1.0745416579,0.0,-0.0704942108,GGA,Immm,AB2C2_oI10_71_a_f_h:Pt-Rb-Se,5.0,AB2C2_oI10_71_a_f_h:Pt-Rb-Se +mp-1186922,RbU3,-7.12866934,1.5850216856,1.5850216856,1.5850216856,GGA,Pm-3m,AB3_cP4_221_a_c:Rb-U,4.0,AB3_cP4_221_a_c:Rb-U +mp-1220068,Rb2U6Pt4Se17,-6.5664582816,-1.2759563296,0.0,-0.0363376248,GGA,P4/mnc,A4B2C17D6_tP58_128_h_e_a2i_dh:Pt-Rb-Se-U,58.0,A4B2C17D6_tP58_128_h_e_a2i_dh:Pt-Rb-Se-U +mp-1191426,Rb2U(PtSe2)3,-5.4560059712,-1.0858937228,0.0,-0.0281452297,GGA,Fmmm,A3B2C6D_oF96_69_gn_fh_mp_i:Pt-Rb-Se-U,24.0,A3B2C6D_oF96_69_gn_fh_mp_i:Pt-Rb-Se-U +mp-14797,RbPt2Se3,-4.8195666567,-0.8844774658000001,0.0,-0.0749716193,GGA,R-3m,A2BC3_hR36_166_ae_c_h:Pt-Rb-Se,12.0,A2BC3_hR36_166_ae_c_h:Pt-Rb-Se +mp-1212034,K2GdCl5,-5.7362520587,-2.5438016295,0.0,-0.0139773754,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Gd-K,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Gd-K +mp-1211966,K3GdCl6,-5.3334952302,-2.4836413261,0.0030468257,0.0030468257,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-Gd-K,40.0,A6BC3_mP40_14_6e_ad_3e:Cl-Gd-K +mp-1111176,K3GdCl6,-5.266141473,-2.4162875689,0.070400583,0.070400583,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Gd-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Gd-K +mp-1113049,Cs2KGdCl6,-5.31996538,-2.5131107909,0.0,-0.0055219032,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Gd-K +mp-1211663,KGd2Cl7,-6.8886130425,-2.6683730378,0.0,-0.0302780885,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:Cl-Gd-K,40.0,A7B2C_mP40_14_7e_2e_e:Cl-Gd-K +mp-1114104,Rb3YBr6,-4.0422652,-2.1696408689,0.024273043,0.024273043,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Rb-Y,10.0,A6B3C_cF40_225_e_ac_b:Br-Rb-Y +mp-29080,Na3YBr6,-4.0439403545,-2.0687186571,0.0148452945,0.0148452945,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Br-Na-Y,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_4e_2a2e_b:Br-Na-Y, expected Na6YBr8 to be Na3YBr6" +mp-1111697,Na3YBr6,-3.903895252,-1.9286735546,0.154890397,0.154890397,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Na-Y,10.0,A6B3C_cF40_225_e_ac_b:Br-Na-Y +mp-1110697,Rb2NaYBr6,-4.07816978,-2.1713463268,0.0,-0.014215735,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Na-Rb-Y +mp-1216413,VCoSb,-6.5015687667,0.272172935,0.5279841919,0.5279841919,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Sb-V,6.0,ABC_hP6_194_a_c_d:Co-Sb-V +mp-4076,VCoSb,-7.0237838233,-0.2500421217,0.0057691353,0.0057691353,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Sb-V,3.0,ABC_cF12_216_c_a_b:Co-Sb-V +mp-1066862,VFeCoSb,-7.2679799075,-0.0701683287,0.1629541532,0.1629541532,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Sb-V,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Sb-V +mp-1071423,VFeSb,-7.209551525,0.018091315,0.2933104117,0.2042682077,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-Sb-V,6.0,ABC_hP6_194_c_d_a:Fe-Sb-V +mp-1077808,VFeSb,-7.0343861783,0.1932566617,0.4684757583,0.3794335544,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Fe-Sb-V,6.0,ABC_hP6_194_a_c_d:Fe-Sb-V +mp-567636,VFeSb,-7.5028619367,-0.2752190967,0.0,-0.089042204,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Sb-V,3.0,ABC_cF12_216_c_a_b:Fe-Sb-V +mp-10756,VFeSb,-7.0588066933,0.1688361467,0.4440552433,0.3550130394,GGA,F-43m,ABC_cF12_216_a_b_c:Fe-Sb-V,3.0,ABC_cF12_216_a_b_c:Fe-Sb-V +mp-4622,Li2BeF4,-5.5380091633,-3.3661270964,0.0,-0.0344483231,GGA,R-3,AB4C2_hR126_148_f_4f_2f:Be-F-Li,42.0,AB4C2_hR126_148_f_4f_2f:Be-F-Li +mp-555439,CsLi3F4,-4.8048695019,-3.0213586466,0.0662768162,0.0662768162,GGA,C2/m,AB4C3_mC32_12_i_gij_3i:Cs-F-Li,16.0,"Invalid WP multiplicities - AB4C3_mC32_12_i_2g2i3j_5i:Cs-F-Li, expected CsLi5F10 to be CsLi3F4" +mp-558728,Cs3Li2F5,-4.538264965,-2.9321201963,0.043857673,0.043857673,GGA,Fmm2,A3B5C2_oF40_42_ac_abc_c:Cs-F-Li,10.0,"Invalid WP multiplicities - A3B5C2_oF40_42_ac_ab2c_c:Cs-F-Li, expected Cs3Li2F7 to be Cs3Li2F5" +mp-18704,CsLiBeF4,-5.3830524793,-3.3559590545,0.0,-0.0171002696,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Be-Cs-F-Li,28.0,ABC4D_mP28_14_e_e_4e_e:Be-Cs-F-Li +mp-12262,CsBeF3,-5.4818748875,-3.4080244596,0.0,-0.0135067272,GGA,Pnma,ABC3_oP20_62_c_c_cd:Be-Cs-F,20.0,ABC3_oP20_62_c_c_cd:Be-Cs-F +mp-1017555,CsBeF3,-4.819322582,-2.7454721541,0.6625523055,0.6490455783,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Cs-F,5.0,ABC3_cP5_221_b_a_c:Be-Cs-F +mp-553988,Cs2LiF3,-4.4778199867,-2.9054592344,0.0482863292,0.0482863292,GGA,Cmcm,A2B3C_oC24_63_2c_a2c_c:Cs-F-Li,12.0,"Invalid WP multiplicities - A2B3C_oC24_63_2c_2a4c_c:Cs-F-Li, expected Cs2LiF6 to be Cs2LiF3" +mp-5013,Cs2BeF4,-5.1866362021,-3.3043314194,0.0,-0.0578613668,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Be-Cs-F,28.0,AB2C4_oP28_62_c_2c_2cd:Be-Cs-F +mp-559766,Cs3LiF4,-4.4429616562,-2.9128309246,0.0131242569,0.0131242569,GGA,C2/m,A3B4C_mC32_12_3i_g3i_i:Cs-F-Li,16.0,"Invalid WP multiplicities - A3B4C_mC32_12_6i_2g6i_i:Cs-F-Li, expected Cs6LiF8 to be Cs3LiF4" +mp-27192,CsBe2F5,-5.7148836238000005,-3.4734307563,0.0,-0.0111688414,GGA,P4_132,A2BC5_cP32_213_c_a_cd:Be-Cs-F,32.0,"Invalid WP multiplicities - A2BC5_cP32_213_c_a_c2d:Be-Cs-F, expected CsBe2F8 to be CsBe2F5" +mp-560088,Cs2Li3F5,-4.657019194,-2.9495223758,0.091127606,0.091127606,GGA,Amm2,A2B5C3_oC20_38_ab_2a3b_a2b:Cs-F-Li,10.0,A2B5C3_oC20_38_ab_2a3b_a2b:Cs-F-Li +mp-7594,CsLiF2,-4.6661471212,-3.0093263278,0.0,-0.0050620113,GGA,C2/c,AB2C_mC32_15_f_2ef_f:Cs-F-Li,16.0,"Invalid WP multiplicities - AB2C_mC32_15_f_4ef_f:Cs-F-Li, expected CsLiF3 to be CsLiF2" +mp-606604,CsLi2F3,-4.74513011,-3.0038492753,0.0576831425,0.0576831425,GGA,I4/mmm,AB3C2_tI12_139_a_bd_e:Cs-F-Li,6.0,"Invalid WP multiplicities - AB3C2_tI12_139_a_b2d_e:Cs-F-Li, expected CsLi2F5 to be CsLi2F3" +mp-1112901,Cs2InHgI6,-2.495385332,-1.1267486381,0.0437275367,0.0437275367,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-In,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-In +mp-1111977,Cs2RbAuF6,-4.083186012,-2.3317765498,0.048165903,0.048165903,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Rb +mp-1206834,Rb3AuF6,-4.062757228,-2.2943214257,0.098402803,0.098402803,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:Au-F-Rb,10.0,AB6C3_aP10_2_a_3i_bcd:Au-F-Rb +mp-1113832,Rb3AuF6,-4.062453052,-2.2940172498,0.098706979,0.098706979,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Au-F-Rb +mp-1111644,RbAuF3,-3.911658436,-1.913887841,0.1265957407,0.1265957407,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-F-Rb,5.0,AB3C_cP5_221_b_c_a:Au-F-Rb +mp-1111462,CsRb2AuF6,-4.018552631,-2.2586299988,0.127703342,0.127703342,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cs-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cs-F-Rb +mp-3419,RbAuF4,-4.0549033883,-2.0715147312,0.0,-0.2099467887,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Au-F-Rb,12.0,AB4C_tI24_140_d_l_a:Au-F-Rb +mp-1216337,Y3Mn3Ga2Ge,-6.7647426433,-0.368667186,0.1294260526,0.1294260526,GGA,P-6,A2BC3D3_hP9_174_ad_e_j_k:Ga-Ge-Mn-Y,9.0,A2BC3D3_hP9_174_ad_e_j_k:Ga-Ge-Mn-Y +mp-22267,Y(MnGe)6,-7.1793984431,-0.3196499819,0.0,-0.0562628508,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Y,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_2cde_i_a:Ge-Mn-Y, expected Y(Mn3Ge4)2 to be Y(MnGe)6" +mp-19797,YMnGe,-7.2519141742,-0.5014094207,0.0949399099,0.0949399099,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Y,12.0,ABC_oP12_62_c_c_c:Ge-Mn-Y +mp-20649,Y(MnGe)2,-7.295701556,-0.4883900745,0.0,-0.0347414511,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Y,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Y +mp-1183378,BaPa3,-6.9256145175,0.6901277125,0.6901277125,0.6901277125,GGA,I4/mmm,AB3_tI8_139_a_bd:Ba-Pa,4.0,AB3_tI8_139_a_bd:Ba-Pa +mp-1183382,Ba3Pa,-3.0707523975,0.7471449725,0.7471449725,0.7471449725,GGA,I4/mmm,A3B_tI8_139_ad_b:Ba-Pa,4.0,A3B_tI8_139_ad_b:Ba-Pa +mp-1206062,Ba2PrPaO6,-8.40698442,-3.6256191638,0.0,-0.0418082715,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Pr +mp-8557,BaPaO3,-8.825384121999999,-3.5706429753,0.0,-0.020922974,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pa,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pa +mp-674999,La2Zr2O7,-9.2375497855,-3.6380737447,0.2720701218,0.2038651706,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:La-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2af_6e4j_cf:La-O-Zr, expected La3Zr2O14 to be La2Zr2O7" +mp-4974,La2Zr2O7,-9.5096199073,-3.9101438665,0.0,-0.0682049513,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Zr,22.0,A2B7C2_cF88_227_c_af_d:La-O-Zr +mp-557453,La2Zr2O7,-9.1268174282,-3.5273413874,0.3828024791,0.3145975278,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:La-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:La-O-Zr, expected LaZrO10 to be La2Zr2O7" +mp-754150,La3GaO6,-8.2739266655,-3.5223017050000003,0.0022458604,0.0022458604,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Ga-La-O,20.0,"Invalid WP multiplicities - AB3C6_oC40_36_a_a2b_3a4b:Ga-La-O, expected La5GaO11 to be La3GaO6" +mp-1211277,La3ZrGa5O14,-7.7251563087,-3.040380482,0.0008301426,0.0008301426,GGA,P321,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Zr,23.0,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Zr +mp-1185065,LaZrO3,-9.093685098,-3.4289303243,0.2867627578,0.2867627578,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Zr,5.0,AB3C_cP5_221_a_c_b:La-O-Zr +mp-771697,La2Ga4O9,-7.196412434,-2.7627726539,0.0884042118,0.0884042118,GGA,Pbam,A4B2C9_oP30_55_fg_h_aghi:Ga-La-O,30.0,"Invalid WP multiplicities - A4B2C9_oP30_55_2f2g_h_2a4g2h4i:Ga-La-O, expected LaGa4O15 to be La2Ga4O9" +mp-675329,LaZr9O20,-9.7199051233,-3.69326889,0.0751635795,0.0751635795,GGA,P1,AB20C9_aP30_1_a_20a_9a:La-O-Zr,30.0,AB20C9_aP30_1_a_20a_9a:La-O-Zr +mp-675563,LaZr9O20,-9.697537574,-3.6709013407,0.0975311289,0.0975311289,GGA,P-1,AB20C9_aP30_2_a_10i_c4i:La-O-Zr,30.0,"Invalid WP multiplicities - AB20C9_aP30_2_a_19i_c7i:La-O-Zr, expected LaZr15O38 to be LaZr9O20" +mp-5837,LaGaO3,-7.659527258,-3.0986934058,0.0325494031,0.0325494031,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-La-O,20.0,ABC3_oP20_62_a_c_cd:Ga-La-O +mp-1180739,LaGaO3,-7.6545308995,-3.0936970473,0.0375457616,0.0375457616,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-La-O,20.0,"Invalid WP multiplicities - ABC3_oI20_74_a_e_3e4g:Ga-La-O, expected LaGaO11 to be LaGaO3" +mp-556983,LaGaO3,-7.654491902,-3.0936580497,0.0375847591,0.0375847591,GGA,Imma,ABC3_oI20_74_a_e_eg:Ga-La-O,10.0,ABC3_oI20_74_a_e_eg:Ga-La-O +mp-1078871,LaGaO3,-7.653481303,-3.0926474507,0.0385953581,0.0385953581,GGA,R3c,ABC3_hR30_161_a_a_b:Ga-La-O,10.0,ABC3_hR30_167_b_a_e:Ga-La-O +mp-3336,LaGaO3,-7.654005623,-3.0931717708,0.0380710381,0.0380710381,GGA,R-3c,ABC3_hR30_167_b_a_e:Ga-La-O,10.0,ABC3_hR30_167_b_a_e:Ga-La-O +mp-9831,LaGaO3,-6.24826148,-1.6874276278,1.4438151811,1.4438151811,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ga-La-O,5.0,ABC3_cP5_221_a_b_c:Ga-La-O +mp-1097026,LaGaO3,-7.595752594,-3.0349187417,0.0963240671,0.0963240671,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ga-La-O,5.0,ABC3_cP5_221_b_a_c:Ga-La-O +mp-780561,La3Ga5O12,-7.3892922664,-2.9238539683,0.0,-0.013968238,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Ga-La-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_4a5d_c_h:Ga-La-O, expected La3Ga23O12 to be La3Ga5O12" +mp-769915,La4Ga2O9,-8.0957891875,-3.4077612631,0.0,-0.018447944,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Ga-La-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_7e_11e_35e:Ga-La-O, expected La11(GaO5)7 to be La4Ga2O9" +mp-1200942,Er(BRh)4,-7.3311043065,-0.5819357094000001,0.0111425802,0.0111425802,GGA,Ccce,A4BC4_oC108_68_3i_ae_3i:B-Er-Rh,54.0,A4BC4_oC108_68_3i_ae_3i:B-Er-Rh +mp-8408,Er(BRh)4,-7.3289066117,-0.5797380146000001,0.013340275,0.013340275,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Er-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Er-Rh +mp-14481,Er(BRh)4,-7.3278955297,-0.5787269327,0.0143513569,0.0143513569,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Er-Rh,36.0,A4BC4_tI72_142_g_b_g:B-Er-Rh +mp-3769,ErBRh3,-7.482302914,-0.8142960758000001,0.0,-0.1522800147,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Er-Rh,5.0,ABC3_cP5_221_b_a_c:B-Er-Rh +mp-861985,Er2IrRh,-7.2773218125,-0.942776895,0.0,-0.008608985,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Rh +mp-1225583,ErB4Rh7,-7.2461128375,-0.3431594222,0.1967967373,0.1967967373,GGA,Pmmm,A4BC7_oP12_47_ij_a_dfgx:B-Er-Rh,12.0,"Invalid WP multiplicities - A4BC7_oP12_47_2ij_a_dfgx:B-Er-Rh, expected ErB6Rh7 to be ErB4Rh7" +mp-1212905,Er2B6Rh,-6.9451386475,-0.6589057458,0.0,-0.0181362279,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Er-Rh,36.0,A6B2C_oP36_55_6h_2g_g:B-Er-Rh +mp-5678,ErB2Rh3,-7.3779371833,-0.7080328564,0.0122056085,0.0122056085,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Er-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Er-Rh +mp-1189046,Er(BIr)4,-7.9175557972,-0.5132199513,0.0,-0.0019725111,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Er-Ir,18.0,A4BC4_tP18_137_g_a_g:B-Er-Ir +mp-1225103,Er2(B2Rh3)3,-7.4261666265,-0.6326043279,0.0,-0.0062392186,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-Er-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-Er-Rh +mp-5197,ErB2Ir3,-8.1032155267,-0.6962480447,0.0,-0.1007237988,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Er-Ir,6.0,A2BC3_hP6_191_c_a_g:B-Er-Ir +mp-1225576,ErB4(IrRh)2,-7.6347965939,-0.5580443724,0.0218039286,0.0218039286,GGA,P4_2mc,A4BC2D2_tP18_105_de_c_d_e:B-Er-Ir-Rh,18.0,A4BC2D2_tP18_105_de_c_d_e:B-Er-Ir-Rh +mp-13342,ErB4Rh,-7.0660974317,-0.6244984711,0.0,-0.0392195507,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Rh,24.0,A4BC_oP24_55_4h_g_g:B-Er-Rh +mp-13938,Sr2DyReO6,-8.013249489,-3.0022061691,0.0864291734,0.0864291734,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Dy-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Dy-O-Re-Sr +mp-1191990,Dy3ReO7,-8.9023736441,-3.3667637637,0.0413857835,0.0413857835,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Dy-O-Re,22.0,A3B7C_oC44_20_ac_3b2c_a:Dy-O-Re +mp-555247,Dy3ReO7,-8.9018356386,-3.3662257583,0.0419237889,0.0419237889,GGA,Cmcm,A3B7C_oC44_63_ag_3ch_b:Dy-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_2a2g_6c3h_b:Dy-O-Re, expected Dy6ReO18 to be Dy3ReO7" +mp-1225661,Dy5(ReO6)2,-9.0053885226,-3.3589015171,0.0,-0.0458174238,GGA,P2_1/m,A5B12C2_mP38_11_5e_4e4f_f:Dy-O-Re,38.0,"Invalid WP multiplicities - A5B12C2_mC38_12_a4i_4i4j_h:Dy-O-Re, expected Dy9(ReO12)2 to be Dy5(ReO6)2" +mp-766367,Dy5(ReO6)2,-9.0051479958,-3.3586609903,0.0002405268,-0.045576897,GGA,C2/m,A5B12C2_mC38_12_a2i_2i2j_h:Dy-O-Re,19.0,"Invalid WP multiplicities - A5B12C2_mC38_12_a4i_3i4j_h:Dy-O-Re, expected Dy9(ReO11)2 to be Dy5(ReO6)2" +mp-1201741,DyRe3O16,-7.5146083045,-1.4602389158,0.4097338168,0.4097338168,GGA,Pna2_1,AB16C3_oP80_33_a_16a_3a:Dy-O-Re,80.0,AB16C3_oP80_33_a_16a_3a:Dy-O-Re +mp-556075,SrDy2O4,-8.1235638986,-3.739303616,0.0046502614,0.0046502614,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Dy-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_15c_c:Dy-O-Sr, expected SrDy5O15 to be SrDy2O4" +mp-1187145,SrDyO3,-7.257123012,-3.0298537266,0.25280565,0.25280565,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Dy-O-Sr,5.0,AB3C_cP5_221_b_c_a:Dy-O-Sr +mp-1211111,LiTiCoF6,-6.2240353411000005,-3.0705235096,0.111693095,0.111693095,GGA+U,P321,AB6CD_hP27_150_ad_3g_f_e:Co-F-Li-Ti,27.0,AB6CD_hP27_150_ad_3g_f_e:Co-F-Li-Ti +mp-554689,LiCoF4,-5.3091595492,-2.5319667939,0.0,-0.0373294812,GGA+U,P2_1/c,AB4C_mP12_14_a_2e_d:Co-F-Li,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_b:Co-F-Li, expected LiCoF8 to be LiCoF4" +mp-1097040,LiCoF2,-5.2793408525,-2.0692912033,0.3955437156,0.3955437156,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Co-F-Li,4.0,AB2C_hR12_166_a_c_b:Co-F-Li +mp-21540,Li3TiF6,-5.8649299638,-3.3558165217,0.0122800032,0.0122800032,GGA,C2/c,A6B3C_mC120_15_9f_e4f_af:F-Li-Ti,60.0,"Invalid WP multiplicities - A6B3C_mC120_15_16f_e5f_cf:F-Li-Ti, expected Li11Ti3F32 to be Li3TiF6" +mp-1111280,Li3TiF6,-5.642647271,-3.1335338288,0.234562696,0.234562696,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Ti,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Ti +mp-7603,Li2TiF6,-6.1074207839,-3.5316195,0.0,-0.0755971872,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Ti,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2f2j_e_a:F-Li-Ti, expected Li2TiF12 to be Li2TiF6" +mp-759500,LiCoF3,-5.539686688,-2.5893511752,0.088006856,0.088006856,GGA+U,P1,AB3C_aP15_1_3a_9a_3a:Co-F-Li,15.0,"Invalid WP multiplicities - AB3C_hP15_143_abc_5d_2ab:Co-F-Li, expected LiCoF5 to be LiCoF3" +mp-764370,LiCoF3,-5.5390119680000005,-2.5886764552,0.088681576,0.088681576,GGA+U,P3,AB3C_hP15_143_abc_3d_2ab:Co-F-Li,15.0,"Invalid WP multiplicities - AB3C_hP15_143_abc_5d_2ab:Co-F-Li, expected LiCoF5 to be LiCoF3" +mp-1111290,Li3CoF6,-5.027455323,-2.597059303,0.1884986125,0.1884986125,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Co-F-Li,10.0,AB6C3_cF40_225_a_e_bc:Co-F-Li +mp-569060,Cs2PSe5,-4.02678727,-0.9413291901,0.0,-0.0025675956,GGA,P-1,A2BC5_aP16_2_2i_i_5i:Cs-P-Se,16.0,"Invalid WP multiplicities - A2BC5_aP16_2_2i_i_9i:Cs-P-Se, expected Cs2PSe9 to be Cs2PSe5" +mp-583193,Cs3PSe4,-3.8916655069,-1.1312710652,0.0,-0.1229206296,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Cs-P-Se,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_2c2d_c_6c6d:Cs-P-Se, expected Cs6PSe18 to be Cs3PSe4" +mp-1195417,Cs4Ge(PSe3)4,-4.2491340933,-0.8296681361,0.0,-0.0122745259,GGA,Pca2_1,A4BC4D12_oP84_29_4a_a_4a_12a:Cs-Ge-P-Se,84.0,A4BC4D12_oP84_29_4a_a_4a_12a:Cs-Ge-P-Se +mp-1202319,Cs5GeP3,-3.1153289189,-0.2997792261,0.0031543532,0.0031543532,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Cs-Ge-P,36.0,A5BC3_oP36_62_5c_c_3c:Cs-Ge-P +mp-569193,Cs4P2Se9,-4.029655981,-0.971561461,0.0,-0.0088957051,GGA,C2/c,A4B2C9_mC60_15_2f_f_e4f:Cs-P-Se,30.0,"Invalid WP multiplicities - A4B2C9_mC60_15_4f_f_2e15f:Cs-P-Se, expected Cs4PSe16 to be Cs4P2Se9" +mp-1213727,Cs2(PSe2)3,-4.3130265948,-0.7670101284,0.0,-0.0192135254,GGA,P2_1/c,A2B3C6_mP44_14_2e_3e_6e:Cs-P-Se,44.0,A2B3C6_mP44_14_2e_3e_6e:Cs-P-Se +mp-1225967,CsPSe6,-4.1172986153,-0.7067768972,0.0,-0.0649965211,GGA,Pc,ABC6_mP32_7_2a_2a_12a:Cs-P-Se,32.0,"Invalid WP multiplicities - ABC6_mP32_7_2a_2a_18a:Cs-P-Se, expected CsPSe9 to be CsPSe6" +mp-1194666,CsPSe6,-4.1081624333,-0.6976407152,0.009136182,-0.0558603391,GGA,P-42_1c,ABC6_tP64_114_abd_e_6e:Cs-P-Se,64.0,ABC6_tP64_114_abd_e_6e:Cs-P-Se +mp-1209916,Nd2Ta2O9,-9.2426899585,-3.2602246872,0.1356890039,0.1356890039,GGA,C2/m,A2B9C2_mC26_12_i_a4i_i:Nd-O-Ta,26.0,A2B9C2_mC26_12_i_a4i_i:Nd-O-Ta +mp-1377116,Nd2Ta2O9,-9.2431389992,-3.260673728,0.1352399632,0.1352399632,GGA,C2/m,A2B9C2_mC26_12_i_a4i_i:Nd-O-Ta,13.0,A2B9C2_mC26_12_i_a4i_i:Nd-O-Ta +mp-18229,CaTa2O6,-9.6392445983,-3.4835459975,0.0,-0.0309755079,GGA,Pnma,AB6C2_oP36_62_c_2c2d_d:Ca-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_oP36_62_c_2c3d_d:Ca-O-Ta, expected CaTa2O8 to be CaTa2O6" +mp-554038,CaTa2O6,-9.5668830931,-3.4111844922,0.0723615053,0.0413859974,GGA,Pm-3,AB6C2_cP36_200_ac_jk_i:Ca-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_cP36_200_a2c_7j7k_i:Ca-O-Ta, expected Ca7Ta8O168 to be CaTa2O6" +mp-38843,CaTa2O6,-9.5406939011,-3.3849953003,0.0985506972,0.0675751894,GGA,Fm-3m,AB6C2_cF36_225_a_d_c:Ca-O-Ta,9.0,AB6C2_cF36_225_a_d_c:Ca-O-Ta +mp-1227122,CaTa4O14,-8.7945741474,-2.547713497,0.3404442684,0.3404442684,GGA,R-3m,AB14C4_hR57_166_b_c2h_ad:Ca-O-Ta,19.0,"Invalid WP multiplicities - AB14C4_hR57_166_b_c9h_ad:Ca-O-Ta, expected CaTa4O56 to be CaTa4O14" +mp-1227405,Ca2NdTaO6,-8.597342877500001,-3.5656171685,0.0,-0.0046400339,GGA,Pc,A2BC6D_mP20_7_2a_a_6a_a:Ca-Nd-O-Ta,20.0,A2BC6D_mP20_7_2a_a_6a_a:Ca-Nd-O-Ta +mp-1220264,NdTa7O19,-10.1448900943,-3.4130502292,0.0090423289,0.0073161085,GGA,P6_322,AB19C7_hP54_182_c_2fg2i_di:Nd-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_182_c_5fg2i_di:Nd-O-Ta, expected NdTa7O25 to be NdTa7O19" +mp-14676,NdTa7O19,-10.1539324231,-3.4220925581,0.0,-0.0017262204,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Nd-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_ghk3l_c2l:Nd-O-Ta, expected NdTa13O25 to be NdTa7O19" +mp-1205976,NdTa2O6,-9.9008720667,-3.4382237378,0.0617460049,0.0617460049,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:Nd-O-Ta,9.0,AB6C2_tP9_123_c_abi_g:Nd-O-Ta +mp-31417,Nd3TaO7,-9.2735612405,-3.7472847944,0.0,-0.021376378,GGA,Cmcm,A3B7C_oC44_63_ag_3ch_b:Nd-O-Ta,22.0,A3B7C_oC44_63_ag_3ch_b:Nd-O-Ta +mp-1192039,Nd3TaO7,-9.2685105,-3.742234054,0.0050507405,-0.0163256375,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Nd-O-Ta,22.0,A3B7C_oC44_63_ag_cgh_b:Nd-O-Ta +mp-1210137,Nd2Ta6O19,-9.7586763657,-3.2894153969,0.091263175,0.091263175,GGA,P6_3/mcm,A2B19C6_hP54_193_d_gh2k_k:Nd-O-Ta,54.0,A2B19C6_hP54_193_d_gh2k_k:Nd-O-Ta +mp-769333,Ca4Ta2O9,-8.5348872717,-3.4510103929,0.0361888807,0.001931352,GGA,P-1,A4B9C2_aP30_2_ab3i_9i_2i:Ca-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_ab5i_17i_3i:Ca-O-Ta, expected Ca6Ta3O17 to be Ca4Ta2O9" +mp-769317,Ca4Ta2O9,-8.5710761523,-3.4871992736,0.0,-0.0342575287,GGA,P2_1/c,A4B9C2_mP60_14_ad3e_9e_2e:Ca-O-Ta,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_2a2d10e_33e_7e:Ca-O-Ta, expected Ca12Ta7O33 to be Ca4Ta2O9" +mp-769301,Ca4Ta2O9,-8.5276849772,-3.4438080984,0.0433911752,0.0091336465,GGA,Pbcn,A4B9C2_oP60_60_2d_c4d_d:Ca-O-Ta,60.0,"Invalid WP multiplicities - A4B9C2_oP60_60_5d_2c15d_d:Ca-O-Ta, expected Ca5TaO16 to be Ca4Ta2O9" +mp-769307,Ca4Ta2O9,-8.5662595657,-3.4823826869,0.0048165867,-0.029440942,GGA,P-3c1,A4B9C2_hP30_165_2d_fg_c:Ca-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_hP30_165_5d_5f5g_c:Ca-O-Ta, expected Ca10Ta2O45 to be Ca4Ta2O9" +mp-758331,NdTa3O9,-10.0183756769,-3.4905542366,0.0201504342,0.0105579955,GGA,P-1,AB9C3_aP26_2_i_bc8i_3i:Nd-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_aP26_2_i_bc14i_6i:Nd-O-Ta, expected NdTa6O15 to be NdTa3O9" +mp-1173443,NdTa3O9,-10.0265998938,-3.4987784536,0.0119262173,0.0023337786,GGA,P-1,AB9C3_aP52_2_2i_18i_6i:Nd-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_4i_34i_12i:Nd-O-Ta, expected Nd2Ta6O17 to be NdTa3O9" +mp-1173561,NdTa3O9,-10.0008422362,-3.4730207959,0.037683875,0.0280914363,GGA,Pm,AB9C3_mP52_6_3ab_6a6b12c_6c:Nd-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_mP52_6_3ab_6a6b18c_6c:Nd-O-Ta, expected NdTa3O12 to be NdTa3O9" +mp-28653,NdTa3O9,-10.0385261112,-3.5107046709,0.0,-0.0095924387,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:Nd-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_3e4f_a2f:Nd-O-Ta, expected NdTa5O11 to be NdTa3O9" +mp-1101443,NdTa3O9,-10.0184801942,-3.4906587539,0.0200459169,0.0104534782,GGA,C2/m,AB9C3_mC52_12_i_ad2i3j_3i:Nd-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mC52_12_i_ad3i10j_6i:Nd-O-Ta, expected NdTa6O24 to be NdTa3O9" +mp-1220985,NdTa3O9,-9.9907627522,-3.4629413119,0.0477633589,0.0381709202,GGA,P2_1/c,AB9C3_mP130_14_c2e_a22e_b7e:Nd-O-Ta,130.0,"Invalid WP multiplicities - AB9C3_mP130_14_2a3e_2c77e_2b26e:Nd-O-Ta, expected Nd4Ta27O78 to be NdTa3O9" +mp-1186327,NdTa3,-9.555218305,0.5301517756,0.5301517756,0.5301517756,GGA,Fm-3m,AB3_cF16_225_a_bc:Nd-Ta,4.0,AB3_cF16_225_a_bc:Nd-Ta +mp-769280,Ca5Ta4O15,-8.8918054696,-3.4059954451,0.0802796829,0.0802796829,GGA,P-3m1,A5B15C4_hP24_164_a2d_e2i_cd:Ca-O-Ta,24.0,"Invalid WP multiplicities - A5B15C4_hP24_164_a4d_3e10i_c2d:Ca-O-Ta, expected Ca3Ta2O23 to be Ca5Ta4O15" +mp-769610,Ca5Ta4O15,-8.9223620319,-3.4365520073,0.0497231206,0.0497231206,GGA,P-3c1,A5B15C4_hP48_165_b2d_e2g_cd:Ca-O-Ta,48.0,"Invalid WP multiplicities - A5B15C4_hP48_165_b7d_3e13g_c2d:Ca-O-Ta, expected Ca5Ta2O29 to be Ca5Ta4O15" +mp-769390,Ca3Ta2O8,-8.7872518327,-3.4560314796,0.030599089,0.030599089,GGA,C2/c,A3B8C2_mC52_15_ef_4f_f:Ca-O-Ta,26.0,"Invalid WP multiplicities - A3B8C2_mC52_15_2e3f_13f_f:Ca-O-Ta, expected Ca4TaO13 to be Ca3Ta2O8" +mp-769381,Ca3Ta2O8,-8.7678427388,-3.4366223858,0.0500081828,0.0500081828,GGA,Cmce,A3B8C2_oC52_64_ae_2fg_f:Ca-O-Ta,26.0,"Invalid WP multiplicities - A3B8C2_oC52_64_2a3e_5f3g_f:Ca-O-Ta, expected Ca4TaO11 to be Ca3Ta2O8" +mp-769266,Ca3Ta2O8,-8.8066676681,-3.4754473150000003,0.0111832536,0.0111832536,GGA,I4_1/a,A3B8C2_tI104_88_abf_4f_f:Ca-O-Ta,52.0,"Invalid WP multiplicities - A3B8C2_tI104_88_2a2b3f_21f_f:Ca-O-Ta, expected Ca4TaO21 to be Ca3Ta2O8" +mp-1186324,NdTaO3,-9.27075171,-2.9775534708,0.4371269582,0.4371269582,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Nd-O-Ta,5.0,AB3C_cP5_221_a_c_b:Nd-O-Ta +mp-3203,NdTaO4,-9.7476864833,-3.6789064988,0.0,-0.0597692712,GGA,P2/c,AB4C_mP12_13_e_2g_f:Nd-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Nd-O-Ta +mp-18433,NdTaO4,-9.7323834337,-3.6636034492,0.0153030496,-0.0444662217,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Nd-O-Ta,24.0,AB4C_mP24_14_e_4e_e:Nd-O-Ta +mp-4718,NdTaO4,-9.7434520517,-3.6746720671,0.0042344317,-0.0555348396,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nd-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Nd-O-Ta +mp-680380,Ca2Ta2O7,-9.1543619707,-3.4858550617,0.0,-0.0006484842,GGA,C2,A2B7C2_mC308_5_ab13c_49c_ab13c:Ca-O-Ta,154.0,"Invalid WP multiplicities - A2B7C2_mC308_5_ab25c_98c_ab25c:Ca-O-Ta, expected Ca13Ta13O49 to be Ca2Ta2O7" +mp-640836,Ca2Ta2O7,-9.1541252311,-3.4856183221,0.0002367396,-0.0004117446,GGA,C222_1,A2B7C2_oC352_20_ab7c_2a27c_ab7c:Ca-O-Ta,176.0,"Invalid WP multiplicities - A2B7C2_oC352_20_2a2b25c_4a101c_2a2b27c:Ca-O-Ta, expected Ca27Ta29O103 to be Ca2Ta2O7" +mp-14026,Ca2Ta2O7,-9.1535735473,-3.4850666383,0.0007884234,0.0001399392,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ca-O-Ta,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_a2f_d:Ca-O-Ta, expected Ca2Ta2O13 to be Ca2Ta2O7" +mp-3079,CaTa4O11,-9.9203302353,-3.4296873463,0.0,-0.0104823978,GGA,P6_322,AB11C4_hP32_182_c_fgi_dg:Ca-O-Ta,32.0,AB11C4_hP32_182_c_fgi_dg:Ca-O-Ta +mp-1111303,Na2MnAuF6,-4.925545743,-2.2705635746,0.2793254208,0.2793254208,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Mn-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Mn-Na +mp-554517,NaMnF4,-5.9318580517,-2.9101153091,0.0,-0.0241330223,GGA+U,P2_1/c,A4BC_mP12_14_2e_a_d:F-Mn-Na,12.0,A4BC_mP12_14_2e_a_b:F-Mn-Na +mp-561200,Na3MnF6,-5.238307586,-2.7784610883000003,0.1587399868,0.1587399868,GGA+U,P2_1/c,A6BC3_mP20_14_3e_a_de:F-Mn-Na,20.0,A6BC3_mP20_14_3e_a_be:F-Mn-Na +mp-674964,Na5Mn3F14,-5.5857914466,-2.819456088,0.1101193273,0.1101193273,GGA+U,P2_12_12_1,A14B3C5_oP88_19_14a_3a_5a:F-Mn-Na,88.0,"Invalid WP multiplicities - A14B3C5_oP88_19_54a_9a_17a:F-Mn-Na, expected Na17Mn9F54 to be Na5Mn3F14" +mp-1173824,Na5Mn3F14,-5.6812512894000005,-2.9149159309,0.0146594844,0.0146594844,GGA+U,P2_12_12_1,A14B3C5_oP88_19_14a_3a_5a:F-Mn-Na,88.0,"Invalid WP multiplicities - A14B3C5_oP88_19_54a_9a_17a:F-Mn-Na, expected Na17Mn9F54 to be Na5Mn3F14" +mp-28398,Na5Mn3F14,-5.6817552625,-2.9154199039,0.0141555114,0.0141555114,GGA+U,Pna2_1,A14B3C5_oP88_33_14a_3a_5a:F-Mn-Na,88.0,A14B3C5_oP88_33_14a_3a_5a:F-Mn-Na +mp-541104,NaMn3F10,-6.2509187261,-2.8278215229,0.0002913889,0.0002913889,GGA+U,Fdd2,A10B3C_oF112_43_5b_ab_a:F-Mn-Na,28.0,A10B3C_oF112_43_5b_ab_a:F-Mn-Na +mp-560242,NaMnF3,-6.213123988,-2.9693284904,0.0,-0.01292457,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Mn-Na,20.0,A3BC_oP20_62_cd_a_c:F-Mn-Na +mp-7388,NaAuF4,-4.0480556483,-2.0076684544,0.0,-0.1477465439,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Au-F-Na,12.0,AB4C_tI24_140_d_l_a:Au-F-Na +mp-1110573,Na3AuF6,-4.035033761,-2.1640005925,0.216005902,0.216005902,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-F-Na,10.0,AB6C3_cF40_225_a_e_bc:Au-F-Na +mp-555618,Na2MnF5,-5.6074305447,-2.9368729551,0.0,-0.0195285803,GGA+U,P2_1/c,A5BC2_mP32_14_5e_ab_2e:F-Mn-Na,32.0,A5BC2_mP32_14_5e_ad_2e:F-Mn-Na +mp-505046,Gd3Sb5O12,-8.7416387433,-2.6299568705,0.0,-0.0498461369,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Gd-O-Sb,40.0,A3B12C5_cI80_217_d_2g_ce:Gd-O-Sb +mp-1184765,InSbO3,-5.761112204,-1.4169619832,0.4582018405,0.4582018405,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-O-Sb,5.0,AB3C_cP5_221_a_c_b:In-O-Sb +mp-756656,Gd3InO6,-10.8359669055,-3.3699486338,0.0532895503,0.0532895503,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Gd-In-O,20.0,"Invalid WP multiplicities - A3BC6_oC40_36_a2b_a_3a4b:Gd-In-O, expected Gd5InO11 to be Gd3InO6" +mp-756715,Gd3InO6,-10.8788017695,-3.4127834978,0.0104546863,0.0104546863,GGA,R-3,A3BC6_hR60_148_f_ab_2f:Gd-In-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_148_f_ab_7f:Gd-In-O, expected Gd3InO21 to be Gd3InO6" +mp-1225008,Gd2InSbO7,-9.2490061991,-2.9163016147,0.0,-0.0160255614,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Gd-In-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Gd-In-O-Sb, expected Gd2InSbO13 to be Gd2InSbO7" +mp-28617,In3Sb5O12,-6.239003481,-1.8259873848,0.0185107026,0.0185107026,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:In-O-Sb,40.0,A3B12C5_cI80_217_d_2g_ce:In-O-Sb +mp-1104777,Gd3SbO3,-11.8805725436,-3.1380819587,0.0045234129,0.0045234129,GGA,C2/m,A3B3C_mC28_12_3i_3i_i:Gd-O-Sb,14.0,A3B3C_mC28_12_3i_3i_i:Gd-O-Sb +mp-1213602,GdSbO4,-9.0467602942,-2.7147805733,0.0062277228,0.0062277228,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Gd-O-Sb,24.0,AB4C_aP24_2_2i_8i_2i:Gd-O-Sb +mp-1212778,GdInO3,-9.2316398285,-2.8980654078,0.0522357922,0.048935561,GGA,Pnma,ABC3_oP20_62_c_a_cd:Gd-In-O,20.0,ABC3_oP20_62_c_a_cd:Gd-In-O +mp-1212640,GdInO3,-9.2838756207,-2.9503011999,0.0,-0.0033002312,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Gd-In-O,30.0,ABC3_hP30_185_ab_c_ab2c:Gd-In-O +mp-779260,Gd3SbO7,-10.7214116259,-3.3592126315,0.0042456127,-0.107434515,GGA,P-1,A3B7C_aP22_2_3i_7i_ab:Gd-O-Sb,22.0,"Invalid WP multiplicities - A3B7C_aP22_2_5i_13i_ab:Gd-O-Sb, expected Gd5SbO13 to be Gd3SbO7" +mp-755404,Gd3SbO7,-10.7255934968,-3.3633945024,6.37418e-05,-0.1116163859,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Gd-O-Sb,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b3c_a:Gd-O-Sb, expected Gd5SbO12 to be Gd3SbO7" +mp-778473,Gd3SbO7,-10.7094006814,-3.3472016869,0.0162565573,-0.0954235705,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Gd-O-Sb,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:Gd-O-Sb, expected Gd7SbO22 to be Gd3SbO7" +mp-1191117,Gd3SbO7,-10.7256572386,-3.3634582442,0.0,-0.1116801277,GGA,Cmcm,A3B7C_oC44_63_ag_3ch_b:Gd-O-Sb,22.0,A3B7C_oC44_63_ag_3ch_b:Gd-O-Sb +mp-1212067,InSbO4,-6.3985557258,-1.9539824233,0.0,-0.0983451525,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:In-O-Sb,24.0,AB4C_mP24_14_e_4e_e:In-O-Sb +mp-674374,In11(SbO8)3,-6.2086231347,-1.9618848763,0.0151735186,0.0151735186,GGA,P1,A11B24C3_aP38_1_11a_24a_3a:In-O-Sb,38.0,A11B24C3_aP38_1_11a_24a_3a:In-O-Sb +mp-1103681,Sm4(CoB2)3,-6.5068732577,-0.3318233692,0.1467179608,0.1467179608,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Sm,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Sm +mp-505207,Sm2Co7B3,-6.9394804938,-0.3366828148,0.0163442703,0.0163442703,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Sm,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Sm +mp-1219271,Sm2Fe15Co2,-7.9362750837,-0.0044789779,0.0229397568,0.0229397568,GGA,Cm,A2B15C2_mC38_8_b_5a5b_2a:Co-Fe-Sm,19.0,"Invalid WP multiplicities - A2B15C2_mC38_8_b_5a9b_2a:Co-Fe-Sm, expected Sm2Fe23Co2 to be Sm2Fe15Co2" +mp-1105839,Sm(CoB)4,-7.1381303339,-0.4859720674,0.0,-0.0171890275,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Co-Sm,18.0,A4B4C_tP18_86_g_g_a:B-Co-Sm +mp-1189913,Sm3Co11B4,-6.9264517561000005,-0.3117394654,0.011524111,0.011524111,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Sm,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Sm +mp-4073,Sm(CoB)2,-6.977647238,-0.5188461847,0.0,-0.0749845499,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Sm,5.0,A2B2C_tI10_139_e_d_a:B-Co-Sm +mp-5410,SmCo3B2,-6.9921002717,-0.4250464281,0.0093578686,0.0093578686,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Sm,6.0,A2B3C_hP6_191_c_g_a:B-Co-Sm +mp-1105798,Sm(Co2B)6,-7.1948688868,-0.3477767658,0.0,-0.0329315434,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Sm,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Sm +mp-1219231,Sm2Fe4Co13,-7.21939356,-0.0759520629,0.0022381738,0.0022381738,GGA,R3m,A13B4C2_hR57_160_a2bc_ab_2a:Co-Fe-Sm,19.0,A13B4C2_hR57_160_a2bc_ab_2a:Co-Fe-Sm +mp-1195895,Sm2Co14B,-6.9426317226,-0.1406897714,0.0,-0.0067082254,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Sm,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Sm +mp-1219073,SmFe2Co2B,-7.3334467567,-0.241004104,0.0114254757,0.0114254757,GGA,Cmm2,AB2C2D_oC24_35_d_2ac_cd_2b:B-Co-Fe-Sm,12.0,AB2C2D_oC24_35_d_2ac_cd_2b:B-Co-Fe-Sm +mp-1102597,SmCo4B,-6.8902463033,-0.251704789,0.0120317698,0.0120317698,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Sm,12.0,AB4C_hP12_191_c_di_ab:B-Co-Sm +mp-1219068,SmFeCo,-6.817730955,-0.0520892417,0.029034271,0.029034271,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-Sm,6.0,ABC_oI12_74_a_c_e:Co-Fe-Sm +mp-1196408,Sm2Co5B2,-6.8131779625,-0.3312285418,0.0,-0.0017175135,GGA,P6_3/mmc,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Sm,36.0,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Sm +mp-1219400,Sm4Fe31Co3,-7.9654846284,0.0021457778,0.0245236311,0.0245236311,GGA,P1,A3B31C4_aP38_1_3a_31a_4a:Co-Fe-Sm,38.0,A3B31C4_aP38_1_3a_31a_4a:Co-Fe-Sm +mp-649331,Sm11(CoB)40,-7.1055574707,-0.4746472496,0.0149373582,0.0149373582,GGA,P-42_1c,A40B40C11_tP182_114_10e_10e_a5c:B-Co-Sm,182.0,"Invalid WP multiplicities - A40B40C11_tP182_114_72e_71e_2a16c:B-Co-Sm, expected Sm17(Co71B72)2 to be Sm11(CoB)40" +mp-653954,Cs2Re2S5,-6.3301900757,-1.0677335815,0.0040857043,0.0040857043,GGA,R-3c,A2B2C5_hR162_167_f_f_ac2f:Cs-Re-S,54.0,"Invalid WP multiplicities - A2B2C5_hR162_167_f_f_a4c15f:Cs-Re-S, expected Cs2Re2S33 to be Cs2Re2S5" +mp-1209349,Re3S4Br3,-6.6718859162,-0.818039315,0.0275426472,0.0275426472,GGA,P-1,A3B3C4_aP40_2_6i_6i_8i:Br-Re-S,40.0,A3B3C4_aP40_2_6i_6i_8i:Br-Re-S +mp-29599,Re3(SBr)7,-5.3595248456,-0.8207054966,0.0,-0.2016392366,GGA,P31c,A7B3C7_hP68_159_ab4c_2c_ab4c:Br-Re-S,68.0,"Invalid WP multiplicities - A7B3C7_hP68_159_a2b5c_2c_ab7c:Br-Re-S, expected Re6S23Br18 to be Re3(SBr)7" +mp-669564,CsRe6S8Br3,-7.33535109,-1.0401705674,0.0057167658,0.0057167658,GGA,P2_1/c,A3BC6D8_mP72_14_3e_e_6e_8e:Br-Cs-Re-S,72.0,"Invalid WP multiplicities - A3BC6D8_mP72_14_10e_e_19e_27e:Br-Cs-Re-S, expected CsRe19S27Br10 to be CsRe6S8Br3" +mp-1199798,CsReS2,-6.4532220608,-1.0500147381,0.0,-0.0329411455,GGA,Pnma,ABC2_oP96_62_3d_4cd_2c5d:Cs-Re-S,96.0,ABC2_oP96_62_3d_4cd_2c5d:Cs-Re-S +mp-1229160,Cs8(Re4S9)3,-6.7578551686,-1.0518617303,0.0,-0.008424138,GGA,P2_1,A8B12C27_mP94_4_8a_12a_27a:Cs-Re-S,94.0,"Invalid WP multiplicities - A8B12C27_mP94_4_12a_18a_40a:Cs-Re-S, expected Cs6Re9S20 to be Cs8(Re4S9)3" +mp-652046,Re3S4Br,-7.8258878928,-0.8968367237,0.0,-0.0919330062,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:Br-Re-S,32.0,"Invalid WP multiplicities - AB3C4_mP32_14_e_8e_11e:Br-Re-S, expected Re8S11Br to be Re3S4Br" +mp-683890,CsRe3(S2Br)2,-6.9532118262,-1.1651278208,0.0,-0.0194894823,GGA,P2_1/c,A2BC3D4_mP40_14_2e_e_3e_4e:Br-Cs-Re-S,40.0,"Invalid WP multiplicities - A2BC3D4_mP40_14_3e_e_10e_15e:Br-Cs-Re-S, expected CsRe10(S5Br)3 to be CsRe3(S2Br)2" +mp-652494,Cs4Re6S13,-6.7923156052,-1.0522016544,0.0,-0.0087718425,GGA,C2/c,A4B6C13_mC92_15_2f_3f_e6f:Cs-Re-S,46.0,"Invalid WP multiplicities - A4B6C13_mC92_15_2f_8f_2e20f:Cs-Re-S, expected Cs2Re8S21 to be Cs4Re6S13" +mp-8979,TaInO4,-8.5453998433,-2.8126971425,0.0,-0.0339888888,GGA,P2/c,AB4C_mP12_13_e_2g_f:In-O-Ta,12.0,AB4C_mP12_13_e_2g_f:In-O-Ta +mp-769349,BaTa6O16,-9.9988974322,-3.3809556887,0.0,-0.0030356876,GGA,Amm2,AB16C6_oC46_38_b_2a2b4d2e_2a2d:Ba-O-Ta,23.0,"Invalid WP multiplicities - AB16C6_oC46_38_b_2a2b8d4e_2a4d:Ba-O-Ta, expected BaTa10O28 to be BaTa6O16" +mp-15021,Ba3Ta5O15,-9.4897725228,-3.4355923646,0.0,-0.02317569,GGA,P4/mbm,A3B15C5_tP46_127_ag_dhi2j_cj:Ba-O-Ta,46.0,"Invalid WP multiplicities - A3B15C5_tP46_127_ag_dhi2j_c2j:Ba-O-Ta, expected BaTa3O5 to be Ba3Ta5O15" +mp-1189316,BaTa4O14,-8.81157666,-2.569275217,0.2923934796,0.2923934796,GGA,R-3m,AB14C4_hR57_166_b_c2h_ad:Ba-O-Ta,19.0,"Invalid WP multiplicities - AB14C4_hR57_166_b_c9h_ad:Ba-O-Ta, expected BaTa4O56 to be BaTa4O14" +mp-676339,BaTa2O6,-9.3551864765,-3.209112869,0.2332682008,0.2055520476,GGA,P1,AB6C2_aP54_1_6a_36a_12a:Ba-O-Ta,54.0,AB6C2_aP54_1_6a_36a_12a:Ba-O-Ta +mp-561103,BaTa2O6,-9.5884546773,-3.4423810698,0.0,-0.0277161532,GGA,P6/mmm,AB6C2_hP108_191_adgm_jk3lm2pq_jlp:Ba-O-Ta,108.0,"Invalid WP multiplicities - AB6C2_hP108_191_a2d3g5m_6j6k18l6m20p10q_4j5l6p:Ba-O-Ta, expected Ba22Ta63O288 to be BaTa2O6" +mp-754678,BaTaO3,-8.995048194,-3.2716844533,0.0321916528,0.0321916528,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Ta,5.0,AB3C_cP5_221_a_c_b:Ba-O-Ta +mp-605809,Ba11In6O3,-3.7423306802,-1.1193860376,0.0,-0.0134815883,GGA,I4/mcm,A11B6C3_tI80_140_chil_hk_ae:Ba-In-O,40.0,"Invalid WP multiplicities - A11B6C3_tI80_140_2c3h5i6l_3h3k_2a3e:Ba-In-O, expected Ba26In9O4 to be Ba11In6O3" +mp-504554,Ba5Ta4O15,-8.9093007725,-3.4415376105,0.0,-0.0245037195,GGA,P-3m1,A5B15C4_hP24_164_a2d_e2i_cd:Ba-O-Ta,24.0,"Invalid WP multiplicities - A5B15C4_hP24_164_a3d_2e8i_cd:Ba-O-Ta, expected Ba7Ta4O54 to be Ba5Ta4O15" +mp-757745,Ba4In2O7,-6.1427800612,-2.4653886612,0.0878454035,0.0878454035,GGA,Cmcm,A4B2C7_oC52_63_4c_2c_3ch:Ba-In-O,26.0,"Invalid WP multiplicities - A4B2C7_oC52_63_7c_4c_6c6h:Ba-In-O, expected Ba7In4O30 to be Ba4In2O7" +mp-1228222,Ba4In2O7,-6.1116401031,-2.4342487032,0.1189853615,0.1189853615,GGA,I4mm,A4B2C7_tI26_107_4a_2a_3a2b:Ba-In-O,13.0,A4B2C7_tI26_107_4a_2a_3a2b:Ba-In-O +mp-578629,BaIn2O4,-6.1454193505,-2.2584054584,0.0138804277,0.0138804277,GGA,P2_1/c,AB2C4_mP56_14_2e_4e_8e:Ba-In-O,56.0,"Invalid WP multiplicities - AB2C4_mP56_14_5e_13e_27e:Ba-In-O, expected Ba5In13O27 to be BaIn2O4" +mp-1101705,TaIn3O7,-7.3209419205,-2.3446101206,0.0976913977,0.0976913977,GGA,P-1,A3B7C_aP22_2_3i_7i_ab:In-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_aP22_2_5i_13i_ab:In-O-Ta, expected TaIn5O13 to be TaIn3O7" +mp-752535,TaIn3O7,-7.3121840386,-2.3358522388000003,0.1064492795,0.1064492795,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:In-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b3c_a:In-O-Ta, expected TaIn5O12 to be TaIn3O7" +mp-772025,TaIn3O7,-7.309603863,-2.3332720631,0.1090294552,0.1090294552,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:In-O-Ta,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:In-O-Ta, expected TaIn7O22 to be TaIn3O7" +mp-770380,Ta3InO9,-9.4117758938,-3.0390670461,0.0556674196,0.0556674196,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:In-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_5e6f_af:In-O-Ta, expected Ta3InO17 to be Ta3InO9" +mp-1101701,Ta3InO9,-9.3683028506,-2.9955940028,0.0991404629,0.0991404629,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:In-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_12c9d_2a2d:In-O-Ta, expected Ta6InO30 to be Ta3InO9" +mp-1228578,Ba2Ta15O32,-10.1496126696,-3.2108646473,0.000401782,-0.0369062457,GGA,P1,A2B32C15_aP49_1_2a_32a_15a:Ba-O-Ta,49.0,A2B32C15_aP49_1_2a_32a_15a:Ba-O-Ta +mp-28457,Ba2Ta15O32,-10.1500144516,-3.2112664294,0.0,-0.0373080278,GGA,R-3,A2B32C15_hR147_148_c_c5f_ac2f:Ba-O-Ta,49.0,"Invalid WP multiplicities - A2B32C15_hR147_148_c_c6f_ac3f:Ba-O-Ta, expected Ba2Ta21O38 to be Ba2Ta15O32" +mp-773073,Ba8Ta7O24,-8.9126084992,-3.3465374223,0.0420534557,0.0420534557,GGA,P3m1,A8B24C7_hP39_156_2a3b3c_8d_3a2b2c:Ba-O-Ta,39.0,"Invalid WP multiplicities - A8B24C7_hP39_156_2a3b3c_24d_3a2b2c:Ba-O-Ta, expected Ba8Ta7O72 to be Ba8Ta7O24" +mp-769344,Ba4Ta2O9,-8.380760955,-3.3199840603,0.0415209957,-0.001898201,GGA,P2_1/c,A4B9C2_mP60_14_ad3e_9e_2e:Ba-O-Ta,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_2a2d10e_33e_7e:Ba-O-Ta, expected Ba12Ta7O33 to be Ba4Ta2O9" +mp-1196006,Ba4Ta2O9,-8.4222819507,-3.3615050559,0.0,-0.0434191967,GGA,P2_1/c,A4B9C2_mP60_14_ac3e_9e_2e:Ba-O-Ta,60.0,A4B9C2_mP60_14_ac3e_9e_2e:Ba-O-Ta +mp-769394,Ba4Ta2O9,-8.3415793493,-3.2808024546,0.0807026013,0.0372834047,GGA,P-3c1,A4B9C2_hP30_165_2d_fg_c:Ba-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_hP30_165_5d_5f5g_c:Ba-O-Ta, expected Ba10Ta2O45 to be Ba4Ta2O9" +mp-1192906,Ba4Ta2O9,-8.4220105557,-3.3612336609,0.000271395,-0.0431478017,GGA,P6_3/m,A4B9C2_hP30_176_abf_hi_f:Ba-O-Ta,30.0,A4B9C2_hP30_176_abf_hi_f:Ba-O-Ta +mp-769399,BaTa4O11,-9.8809123159,-3.3956834857,0.0025480914,0.0025480914,GGA,P6_322,AB11C4_hP32_182_c_fgi_dg:Ba-O-Ta,32.0,"Invalid WP multiplicities - AB11C4_hP32_182_c_2f6g8i_2d3g:Ba-O-Ta, expected BaTa11O70 to be BaTa4O11" +mp-1187260,TaInO3,-8.400880748,-2.5109752493,0.1711279543,0.1711279543,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-O-Ta,5.0,AB3C_cP5_221_a_c_b:In-O-Ta +mp-1227991,BaInO3,-6.046394532,-2.1442495712,0.0976628068,0.0976628068,GGA,Amm2,ABC3_oC20_38_c_ab_cde:Ba-In-O,10.0,ABC3_oC20_38_c_ab_cde:Ba-In-O +mp-1183288,BaInO3,-6.066852474,-2.1647075132,0.0772048648,0.0772048648,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-In-O,5.0,ABC3_cP5_221_a_b_c:Ba-In-O +mp-770239,Ba2Ta2O7,-9.0950311905,-3.4422742706,0.0,-0.0005066257,GGA,Cmcm,A2B7C2_oC44_63_2c_a2c2f_2c:Ba-O-Ta,22.0,"Invalid WP multiplicities - A2B7C2_oC44_63_4c_2a4c6f_4c:Ba-O-Ta, expected Ba2Ta2O9 to be Ba2Ta2O7" +mp-769571,Ba2Ta2O7,-9.0580022768,-3.4052453569,0.0370289136,0.0365222879,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ba-O-Ta,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ac_2e4h3j_2b2d:Ba-O-Ta, expected BaTa2O11 to be Ba2Ta2O7" +mp-20352,Ba3In2O6,-6.2258099709,-2.5039531939,0.0,-0.0065508059,GGA,I4/mmm,A3B2C6_tI22_139_ae_e_eg:Ba-In-O,11.0,A3B2C6_tI22_139_ae_e_eg:Ba-In-O +mp-622930,Ba4In6O13,-6.1553280813,-2.3078082819,0.0241426296,0.0241426296,GGA,Iba2,A4B6C13_oI92_45_2c_3c_a6c:Ba-In-O,46.0,"Invalid WP multiplicities - A4B6C13_oI92_45_4c_9c_a21c:Ba-In-O, expected Ba8In18O43 to be Ba4In6O13" +mp-753422,Ba5In5O12,-6.093201935,-2.3334947584,0.0677279156,0.0677279156,GGA,P-1,A5B5C12_aP22_2_c2i_a2i_be5i:Ba-In-O,22.0,"Invalid WP multiplicities - A5B5C12_aP22_2_c2i_a3i_be8i:Ba-In-O, expected Ba5In7O18 to be Ba5In5O12" +mp-772869,Ta7InO19,-9.839711093,-3.1825550687,0.0375293183,0.0375293183,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:In-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh6k10l_c2l:In-O-Ta, expected Ta13InO82 to be Ta7InO19" +mp-757574,Ba8In8O19,-6.1315445154,-2.3786200905,0.0165493123,0.0165493123,GGA,Cm,A8B8C19_mC70_8_4b_4a2b_3a8b:Ba-In-O,35.0,"Invalid WP multiplicities - A8B8C19_mC70_8_7b_4a4b_3a10b:Ba-In-O, expected Ba14In12O23 to be Ba8In8O19" +mp-673678,Ba2In2O5,-6.0595474156,-2.2734628715,0.1513003017,0.1367632067,GGA,P1,A2B2C5_aP9_1_2a_2a_5a:Ba-In-O,9.0,"Invalid WP multiplicities - A2B2C5_tI18_139_c_e_a2f:Ba-In-O, expected Ba2In2O9 to be Ba2In2O5" +mp-752827,Ba2In2O5,-6.1701463189,-2.3840617749,0.0407013983,0.0261643033,GGA,C2/c,A2B2C5_mC36_15_ce_f_adef:Ba-In-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_15_ce_f_2a2d2e2f:Ba-In-O, expected BaInO5 to be Ba2In2O5" +mp-1228487,Ba2In2O5,-6.1526695356,-2.3665849915,0.0581781817,0.0436410867,GGA,Pmm2,A2B2C5_oP9_25_f_ac_abde:Ba-In-O,9.0,A2B2C5_oP9_25_f_ac_abde:Ba-In-O +mp-766276,Ba2In2O5,-6.1366843303,-2.3505997863,0.0741633869,0.0596262919,GGA,Aem2,A2B2C5_oC72_39_4c_2a2b_2ab3c2d:Ba-In-O,36.0,"Invalid WP multiplicities - A2B2C5_oC72_39_6c_4a4b_2a4b6c6d:Ba-In-O, expected Ba3In4O12 to be Ba2In2O5" +mp-20546,Ba2In2O5,-6.2108477172,-2.4247631732,0.0,-0.014537095,GGA,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ba-In-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ba-In-O +mp-1173069,Ba2In2O5,-6.0590778011,-2.2729932571,0.1517699161,0.1372328211,GGA,I4/mmm,A2B2C5_tI18_139_c_e_af:Ba-In-O,9.0,"Invalid WP multiplicities - A2B2C5_tI18_139_c_e_a2f:Ba-In-O, expected Ba2In2O9 to be Ba2In2O5" +mp-758269,Ba8In6O17,-6.1491535481,-2.40865,0.0723125427,0.0723125427,GGA,P-1,A8B6C17_aP31_2_4i_3i_acd7i:Ba-In-O,31.0,"Invalid WP multiplicities - A8B6C17_mC62_12_6j_i2j_abc2g4h7j:Ba-In-O, expected Ba24In10O43 to be Ba8In6O17" +mp-1178536,Ba8In6O17,-6.1464502165,-2.4059466683,0.0750158744,0.0750158744,GGA,C2/m,A8B6C17_mC62_12_2j_ij_abcg2h2j:Ba-In-O,31.0,"Invalid WP multiplicities - A8B6C17_mC62_12_6j_i2j_abc2g4h7j:Ba-In-O, expected Ba24In10O43 to be Ba8In6O17" +mp-1079630,Ba2TaInO6,-7.89024051,-3.0774861592,0.0,-0.056900675,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Ta +mp-976722,MgPbO3,-5.531777046,-1.5011783952000002,0.5007348610000001,0.5007348610000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Pb,5.0,AB3C_cP5_221_b_c_a:Mg-O-Pb +mp-1042277,Mg(AgO2)2,-4.8768085086,-1.012216094,0.1314485058,0.1314485058,GGA,P-1,A2BC4_aP14_2_2i_i_4i:Ag-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_3i_i_7i:Ag-Mg-O, expected MgAg3O7 to be Mg(AgO2)2" +mp-1329388,Mg(AgO2)2,-4.8925232539,-1.0279308394,0.1157337604,0.1157337604,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Ag-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Ag-Mg-O, expected Mg4Ag11O24 to be Mg(AgO2)2" +mp-1358036,Mg(AgO2)2,-4.8956289479,-1.0310365333,0.1126280665,0.1126280665,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Ag-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Ag-Mg-O, expected Mg(AgO2)3 to be Mg(AgO2)2" +mp-1041785,Mg(AgO2)2,-4.5585643761,-0.6939719615000001,0.4496926383,0.4496926383,GGA,P2/c,A2BC4_mP28_13_adg_ef_4g:Ag-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_13_adg_ef_6g:Ag-Mg-O, expected Mg(AgO3)2 to be Mg(AgO2)2" +mp-1047695,Mg(AgO2)2,-4.9446807661,-1.0800883515,0.0635762483,0.0635762483,GGA,Pbcm,A2BC4_oP28_57_e_d_cde:Ag-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Ag-Mg-O, expected Mg(AgO8)2 to be Mg(AgO2)2" +mp-1377365,Mg(AgO2)2,-4.5537608254,-0.6891684108,0.454496189,0.454496189,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Ag-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_13_adg_ef_6g:Ag-Mg-O, expected Mg(AgO3)2 to be Mg(AgO2)2" +mp-1367747,Mg(AgO2)2,-4.8132436318,-0.9486512173,0.1950133826,0.1950133826,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ag-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Ag-Mg-O +mp-1047395,Mg(AgO2)2,-4.8736315421,-1.0090391276,0.1346254722,0.1346254722,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Ag-Mg-O,14.0,A2BC4_oC28_63_f_c_acf:Ag-Mg-O +mp-1041485,Mg(AgO2)2,-4.9078350786,-1.043242664,0.1004219358,0.1004219358,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Ag-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Ag-Mg-O, expected Mg(AgO5)2 to be Mg(AgO2)2" +mp-1047244,Mg(AgO2)2,-4.9045721343,-1.0399797198,0.1036848801,0.1036848801,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Ag-Mg-O,14.0,A2BC4_tI28_88_c_b_f:Ag-Mg-O +mp-756146,Mg(AgO2)2,-4.9313034036,-1.066710989,0.0769536108,0.0769536108,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Ag-Mg-O,14.0,A2BC4_tI28_141_c_b_h:Ag-Mg-O +mp-1044635,Mg(AgO2)2,-4.83022517,-0.9656327555,0.1780318443,0.1780318443,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Ag-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Ag-Mg-O, expected Mg2(AgO2)9 to be Mg(AgO2)2" +mp-1044895,Mg(AgO2)2,-4.8563976067,-0.9918051921,0.1518594077,0.1518594077,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Ag-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Ag-Mg-O, expected Mg2Ag8O15 to be Mg(AgO2)2" +mp-1044610,Mg(AgO2)2,-4.8838948279,-1.0193024133,0.1243621865,0.1243621865,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Ag-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Ag-Mg-O +mp-1398164,Mg(AgO2)2,-4.8032082029000005,-0.9386157883,0.2050488115,0.2050488115,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ag-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Ag-Mg-O +mp-1233144,MgAg14(PbO3)6,-4.7629201854000005,-0.8508088182,0.0839331721,0.0839331721,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1233398,MgAg14(PbO3)6,-4.795155849,-0.8830444818000001,0.0516975086,0.0516975086,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1233813,MgAg14(PbO3)6,-4.7344739738,-0.8223626067,0.1123793837,0.1123793837,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1233857,MgAg14(PbO3)6,-4.7894548636,-0.8773434964,0.0573984939,0.0573984939,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1233887,MgAg14(PbO3)6,-4.7594006326,-0.8472892654,0.087452725,0.087452725,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234105,MgAg14(PbO3)6,-4.7578151421,-0.8457037749,0.0890382155,0.0890382155,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234290,MgAg14(PbO3)6,-4.7313375333,-0.8192261662,0.1155158242,0.1155158242,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234337,MgAg14(PbO3)6,-4.7440521659,-0.8319407987,0.1028011916,0.1028011916,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234623,MgAg14(PbO3)6,-4.7369759987,-0.8248646316,0.1098773588,0.1098773588,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234794,MgAg14(PbO3)6,-4.7846238418,-0.8725124746,0.0622295157,0.0622295157,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234848,MgAg14(PbO3)6,-4.7597096449,-0.8475982777000001,0.0871437127,0.0871437127,GGA,P1,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb,39.0,A14BC18D6_aP39_1_14a_a_18a_6a:Ag-Mg-O-Pb +mp-1234594,MgAg14(PbO3)6,-4.7810307323,-0.8689193651,0.0658226252,0.0658226252,GGA,C2,A14BC18D6_mC78_5_7c_a_9c_2a2c:Ag-Mg-O-Pb,39.0,"Invalid WP multiplicities - A14BC18D6_mC78_5_12c_a_18c_2a4c:Ag-Mg-O-Pb, expected MgAg24(Pb5O18)2 to be MgAg14(PbO3)6" +mp-1234375,MgAg14(PbO3)6,-4.7782786467000005,-0.8661672795,0.0685747109,0.0685747109,GGA,Cm,A14BC18D6_mC78_8_8a3b_a_6a6b_3b:Ag-Mg-O-Pb,39.0,"Invalid WP multiplicities - A14BC18D6_mC78_12_2e6i3j_a_6i12j_2h3j:Ag-Mg-O-Pb, expected MgAg28(Pb4O15)4 to be MgAg14(PbO3)6" +mp-2232372,Mg(Ag3O4)2,-4.56392025,-0.6859785327,0.0892890117,0.0892890117,GGA,P1,A6BC8_aP15_1_6a_a_8a:Ag-Mg-O,15.0,A6BC8_aP15_1_6a_a_8a:Ag-Mg-O +mp-2232218,Mg(Ag3O4)2,-4.5219729853,-0.644031268,0.1312362763,0.1312362763,GGA,P1,A6BC8_aP15_1_6a_a_8a:Ag-Mg-O,15.0,A6BC8_aP15_1_6a_a_8a:Ag-Mg-O +mp-997021,AgPbO2,-5.0964628212,-0.9868176973,0.0443258242,0.0443258242,GGA,P2/m,AB2C_mP8_10_bd_mn_ch:Ag-O-Pb,8.0,AB2C_mP8_10_bg_mn_ce:Ag-O-Pb +mp-997019,AgPbO2,-5.1076084625,-0.9979633385,0.033180183,0.033180183,GGA,C2/m,AB2C_mC16_12_i_2i_ad:Ag-O-Pb,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_3i_ac:Ag-O-Pb, expected AgPbO3 to be AgPbO2" +mp-676840,Ag13(PbO3)6,-4.8310644515,-0.8272939848,0.0068901159,0.0068901159,GGA,P1,A13B18C6_aP74_1_26a_36a_12a:Ag-O-Pb,74.0,A13B18C6_aP74_1_26a_36a_12a:Ag-O-Pb +mp-859874,Mg2PbO4,-6.02276395,-2.2084836621,0.0940373207,0.0940373207,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Mg-O-Pb,14.0,"Invalid WP multiplicities - A2B4C_oP14_55_g_2g3h_b:Mg-O-Pb, expected Mg2PbO10 to be Mg2PbO4" +mp-555565,Ag5(PbO3)2,-4.7503898069,-0.8066816204,0.0001578546,-0.009198699,GGA,P31m,A5B6C2_hP13_157_2ac_2c_b:Ag-O-Pb,13.0,"Invalid WP multiplicities - A5B6C2_hP13_157_2a2c_4c_b:Ag-O-Pb, expected Ag4PbO6 to be Ag5(PbO3)2" +mp-22286,Ag5(PbO3)2,-4.7505476615,-0.8068394751,0.0,-0.0093565537,GGA,P-31m,A5B6C2_hP13_162_ef_k_d:Ag-O-Pb,13.0,"Invalid WP multiplicities - A5B6C2_hP13_162_2e2f_k_d:Ag-O-Pb, expected Ag5PbO3 to be Ag5(PbO3)2" +mp-1178556,AgPbO3,-5.125327082,-0.8482732406,0.110328907,0.110328907,GGA,R-3,AB3C_hR30_148_c_f_c:Ag-O-Pb,10.0,AB3C_hR30_148_c_f_c:Ag-O-Pb +mp-1371600,Mg2Ag2O5,-4.9688182317,-1.235583158,0.332609375,0.332609375,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Ag-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Ag-Mg-O, expected MgAgO6 to be Mg2Ag2O5" +mp-674968,Ag33(PbO3)14,-4.7840817844,-0.8154038859,0.0028035796,0.0028035796,GGA,P-1,A33B42C14_aP89_2_a16i_21i_7i:Ag-O-Pb,89.0,"Invalid WP multiplicities - A33B42C14_aP89_2_a32i_40i_12i:Ag-O-Pb, expected Ag65(Pb3O10)8 to be Ag33(PbO3)14" +mp-20210,Ag2PbO2,-4.676204317,-0.8219770172,0.0029378001,0.0029378001,GGA,C2/c,A2B2C_mC20_15_ac_f_e:Ag-O-Pb,10.0,"Invalid WP multiplicities - A2B2C_mC20_15_2a2c_f_e:Ag-O-Pb, expected Ag4PbO2 to be Ag2PbO2" +mp-531125,Ag7(PbO3)3,-4.7899514741,-0.8170024407,0.0031495495,0.0031495495,GGA,P-1,A7B9C3_aP76_2_be13i_18i_6i:Ag-O-Pb,76.0,"Invalid WP multiplicities - A7B9C3_aP76_2_be23i_35i_12i:Ag-O-Pb, expected Ag24Pb12O35 to be Ag7(PbO3)3" +mp-757612,Ag7(PbO3)3,-4.7903538674,-0.8174048340000001,0.0027471562,0.0027471562,GGA,C2/m,A7B9C3_mC76_12_e4ij_3i3j_gj:Ag-O-Pb,38.0,"Invalid WP multiplicities - A7B9C3_mC76_12_2e6i3j_6i12j_2h3j:Ag-O-Pb, expected Ag7Pb4O15 to be Ag7(PbO3)3" +mp-2226542,Mg(Ag2O3)2,-4.5631516136,-0.6894574017,0.2056301486,0.2056301486,GGA,P1,A4BC6_aP11_1_4a_a_6a:Ag-Mg-O,11.0,A4BC6_aP11_1_4a_a_6a:Ag-Mg-O +mp-2240720,Mg(Ag2O3)2,-4.7136118564,-0.8399176445000001,0.0551699059,0.0551699059,GGA,R-3m,A4BC6_hR33_166_bd_a_h:Ag-Mg-O,11.0,A4BC6_hR33_166_bd_a_h:Ag-Mg-O +mp-2222869,Mg(Ag2O3)2,-4.1243487527,-0.2506545408,0.6444330095,0.6444330095,GGA,P-43m,A4BC6_cP11_215_e_a_cd:Ag-Mg-O,11.0,"Invalid WP multiplicities - A4BC6_cP11_215_e_a_2c2d:Ag-Mg-O, expected Mg(AgO3)4 to be Mg(Ag2O3)2" +mp-675327,Ag9(PbO3)4,-4.8101283968,-0.8219741230000001,0.0051003751,0.0051003751,GGA,P2_1/c,A9B12C4_mP50_14_a4e_6e_2e:Ag-O-Pb,50.0,"Invalid WP multiplicities - A9B12C4_mP50_14_2a13e_22e_6e:Ag-O-Pb, expected Ag7Pb3O11 to be Ag9(PbO3)4" +mp-560005,TlRe3(S2Cl)2,-7.0261871487,-1.0322773998,0.0,-0.0108301157,GGA,P-1,A2B3C4D_aP40_2_4i_6i_8i_2i:Cl-Re-S-Tl,40.0,"Invalid WP multiplicities - A2B3C4D_aP40_2_8i_10i_14i_3i:Cl-Re-S-Tl, expected Tl3Re10(S7Cl4)2 to be TlRe3(S2Cl)2" +mp-1217392,Tl5Re6S8Cl7,-6.1961597077,-1.0995545385,4.39556e-05,4.39556e-05,GGA,R3c,A7B6C8D5_hR156_161_a2b_2b_2a2b_2ab:Cl-Re-S-Tl,52.0,A7B6C8D5_hR156_161_a2b_2b_2a2b_2ab:Cl-Re-S-Tl +mp-1206395,Tl2SCl2,-2.969908354,-0.458146458,0.6154899965,0.6154899965,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-S-Tl,5.0,A2BC2_tP5_123_g_a_g:Cl-S-Tl +mp-1199667,Tl2(ReS2)3,-6.8638496055000005,-0.7840707828,0.0,-0.0282496698,GGA,C2/c,A3B6C2_mC88_15_3f_6f_2ef:Re-S-Tl,44.0,A3B6C2_mC88_15_3f_6f_2ef:Re-S-Tl +mp-556726,Re2SCl12,-4.384106656,-0.9702437122,0.0383975335,0.0383975335,GGA,P2_1/m,A12B2C_mP30_11_4e4f_2e_e:Cl-Re-S,30.0,"Invalid WP multiplicities - A12B2C_mP30_11_8e15f_4e_e:Cl-Re-S, expected Re4SCl38 to be Re2SCl12" +mp-680059,Re3(SCl)7,-5.6107558885,-0.9502566389,0.0,-0.1241314908,GGA,P31c,A7B3C7_hP68_159_ab4c_2c_ab4c:Cl-Re-S,68.0,"Invalid WP multiplicities - A7B3C7_hP68_159_2a2b22c_4c_2a2b20c:Cl-Re-S, expected Re6S32Cl35 to be Re3(SCl)7" +mp-653579,Re3S4Cl,-7.9028208022,-0.9368310919,0.0,-0.0699190994,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:Cl-Re-S,32.0,"Invalid WP multiplicities - AB3C4_mP32_14_e_7e_14e:Cl-Re-S, expected Re7S14Cl to be Re3S4Cl" +mp-28242,Tl6SCl4,-3.4281739536,-1.0912234639,0.0111376302,0.0111376302,GGA,P4/mnc,A4BC6_tP22_128_g_a_eh:Cl-S-Tl,22.0,A4BC6_tP22_128_g_a_eh:Cl-S-Tl +mp-770187,Cr3TeO8,-7.911736535,-1.9387400356,0.0907909792,0.0907909792,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Cr-O-Te,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Cr-O-Te, expected Cr3TeO30 to be Cr3TeO8" +mp-1046527,Cr5(TeO6)3,-7.3649265831,-1.7212515126,0.1328670735,0.1328670735,GGA+U,C2,A5B18C3_mC104_5_ab4c_18c_3c:Cr-O-Te,52.0,"Invalid WP multiplicities - A5B18C3_mC104_5_ab8c_36c_4c:Cr-O-Te, expected Cr9(TeO9)4 to be Cr5(TeO6)3" +mp-31249,La2Te4O11,-6.8258601079000005,-2.3047534252,0.0,-0.0543234487,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:La-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_e6f_2f:La-O-Te, expected La2Te4O13 to be La2Te4O11" +mp-4547,La2TeO2,-7.969214202,-3.3874746968,0.0,-0.1850654006,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:La-O-Te,5.0,A2B2C_tI10_139_e_d_a:La-O-Te +mp-540537,Cr2Te4O11,-6.8289047326,-1.7528521246,0.0,-0.0008894265,GGA+U,P2_1/c,A2B11C4_mP34_14_e_a5e_2e:Cr-O-Te,34.0,A2B11C4_mP34_14_e_a5e_2e:Cr-O-Te +mp-1040801,LaCrTeO6,-7.6140610222,-2.3460062738,0.2091745939,0.1678494632,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Te,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Te +mp-1444025,LaCrTeO6,-2.6096841656,2.6583705829,5.2135514506,5.1722263199,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Te,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Te +mp-1105175,LaCrTeO6,-7.8232356161,-2.5551808677,0.0,-0.0413251307,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-La-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-La-O-Te +mp-17350,La2TeO6,-7.7484589592,-3.0045198069,0.0,-0.2550671601,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:La-O-Te,36.0,A2B6C_oP36_19_2a_6a_a:La-O-Te +mp-1042922,La2TeO6,-7.6482249278,-2.9042857755,0.1002340314,-0.1548331288,GGA,R-3,A2B6C_hR27_148_c_f_a:La-O-Te,9.0,A2B6C_hR27_148_c_f_a:La-O-Te +mp-21355,Cr2TeO6,-7.8153620117,-2.0231916671,0.0,-0.1112697578,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Cr-O-Te,18.0,A2B6C_tP18_136_e_fj_a:Cr-O-Te +mp-530701,Ni5(Mo3Se4)8,-7.2897111557,-0.7148676586,0.0725225236,0.0725225236,GGA,P1,A24B5C32_aP61_1_24a_5a_32a:Mo-Ni-Se,61.0,A24B5C32_aP61_1_24a_5a_32a:Mo-Ni-Se +mp-1209899,Ni2Mo3O8,-8.0485611915,-1.6123509315,0.1627657027,0.1627657027,GGA+U,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Mo-Ni-O,26.0,A3B2C8_hP26_186_c_2b_ab2c:Mo-Ni-O +mp-1220110,Ni(Mo3Se4)2,-7.3211313453,-0.7330427346,0.0654031589,0.0654031589,GGA,P1,A6BC8_aP15_1_6a_a_8a:Mo-Ni-Se,15.0,A6BC8_aP15_1_6a_a_8a:Mo-Ni-Se +mp-505273,NiMoO4,-7.8168333342,-1.748076395,0.0,-0.0581517981,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Mo-Ni-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Mo-Ni-O +mp-19019,NiMoO4,-7.8073079483,-1.7385510092,0.0095253858,-0.0486264123,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Mo-Ni-O,12.0,ABC4_mP12_13_e_f_2g:Mo-Ni-O +mp-1180053,NiMo4O15,-7.6754242845,-1.5072708951,0.1724677266,0.1724677266,GGA+U,P-1,A4BC15_aP20_2_2i_a_e7i:Mo-Ni-O,20.0,A4BC15_aP20_2_2i_a_e7i:Mo-Ni-O +mp-1220121,Ni4Mo4O19,-7.2837095378,-1.3396268462,0.2142188383,0.2142188383,GGA+U,P1,A4B4C19_aP27_1_4a_4a_19a:Mo-Ni-O,27.0,A4B4C19_aP27_1_4a_4a_19a:Mo-Ni-O +mp-977100,NiMoO3,-7.057808574,-0.7646379893,0.93629262,0.93629262,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Mo-Ni-O,5.0,ABC3_cP5_221_b_a_c:Mo-Ni-O +mp-560757,Ni3Mo2SeO11,-7.3118940888,-1.6094707029,0.0,-0.0061615662,GGA+U,P-1,A2B3C11D_aP34_2_2i_3i_11i_i:Mo-Ni-O-Se,34.0,"Invalid WP multiplicities - A2B3C11D_aP34_2_4i_6i_20i_i:Mo-Ni-O-Se, expected Ni6Mo4SeO20 to be Ni3Mo2SeO11" +mp-690122,Nd2Mo2O7,-8.89066472,-2.9038996233,0.0,-0.0782994963,GGA+U,I4_1/a,A2B2C7_tI44_88_d_c_aef:Mo-Nd-O,22.0,"Invalid WP multiplicities - A2B2C7_tI44_88_d_c_2a3e5f:Mo-Nd-O, expected NdMoO14 to be Nd2Mo2O7" +mp-33803,Nd2Mo2O7,-8.8446499145,-2.8578848178,0.0460148055,-0.0322846908,GGA+U,Fd-3m,A2B2C7_cF88_227_d_c_af:Mo-Nd-O,22.0,A2B2C7_cF88_227_d_c_af:Mo-Nd-O +mp-16678,Nd2Mo4O15,-8.5540830244,-2.5007865495,0.0,-0.0166888825,GGA+U,P-1,A4B2C15_aP63_2_6i_3i_a22i:Mo-Nd-O,63.0,"Invalid WP multiplicities - A4B2C15_aP63_2_6i_3i_a25i:Mo-Nd-O, expected Nd2Mo4O17 to be Nd2Mo4O15" +mp-1196969,Nd2Mo4O15,-8.5409069283,-2.4876104534,0.0131760961,-0.0035127864,GGA+U,P-1,A4B2C15_aP42_2_4i_2i_15i:Mo-Nd-O,42.0,A4B2C15_aP42_2_4i_2i_15i:Mo-Nd-O +mp-556535,NdSbMo2O9,-8.1501498665,-2.3725616132000003,0.0,-0.0012555609,GGA+U,C2/c,A2BC9D_mC104_15_2f_2e_9f_f:Mo-Nd-O-Sb,52.0,"Invalid WP multiplicities - A2BC9D_mC104_15_3f_4e_32f_f:Mo-Nd-O-Sb, expected Nd2SbMo3O32 to be NdSbMo2O9" +mp-1210103,NdMoO5,-8.26003201,-2.4961404245,0.0896871554,0.0896871554,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Mo-Nd-O,28.0,ABC5_mP28_14_e_e_5e:Mo-Nd-O +mp-698669,Nd2(MoO4)3,-8.5810022726,-2.6143252297,0.0,-0.0066256531,GGA+U,C2/c,A3B2C12_mC68_15_ef_f_6f:Mo-Nd-O,34.0,"Invalid WP multiplicities - A3B2C12_mC68_15_2e2f_f_22f:Mo-Nd-O, expected NdMo3O22 to be Nd2(MoO4)3" +mp-558785,Nd6Mo10O39,-8.5650943469,-2.5653444299,0.0056296673,0.0056296673,GGA+U,C2/c,A10B6C39_mC220_15_5f_3f_e19f:Mo-Nd-O,110.0,"Invalid WP multiplicities - A10B6C39_mC220_15_17f_10f_2e70f:Mo-Nd-O, expected Nd10Mo17O71 to be Nd6Mo10O39" +mp-700146,Nd5(Mo16O27)2,-8.8265888954,-1.8153500923,0.2789776542,0.2789776542,GGA+U,P2_1/c,A32B5C54_mP182_14_16e_a2e_27e:Mo-Nd-O,182.0,"Invalid WP multiplicities - A32B5C54_mP182_14_61e_2a7e_103e:Mo-Nd-O, expected Nd8Mo61O103 to be Nd5(Mo16O27)2" +mp-557299,Nd3MoO7,-8.707427065000001,-3.2731622117,0.0131296811,0.0131296811,GGA+U,P2_12_12_1,AB3C7_oP44_19_a_3a_7a:Mo-Nd-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_19_a_8a_25a:Mo-Nd-O, expected Nd8MoO25 to be Nd3MoO7" +mp-558827,Nd(MoO2)6,-8.6823866676,-1.8822649504,0.3154766852,0.3154766852,GGA+U,I4/m,A6BC12_tI76_87_hi_e_2h2i:Mo-Nd-O,38.0,"Invalid WP multiplicities - A6BC12_tI76_87_4h4i_e_7h10i:Mo-Nd-O, expected Nd(Mo4O9)6 to be Nd(MoO2)6" +mp-558671,Nd5Mo3O16,-8.6605093969,-3.0136466105,0.0261620209,0.0261620209,GGA+U,Pn-3n,A3B5C16_cP96_222_d_ce_fi:Mo-Nd-O,96.0,"Invalid WP multiplicities - A3B5C16_cP96_222_d_5c6e_12f12i:Mo-Nd-O, expected Nd28(MoO64)3 to be Nd5Mo3O16" +mp-1204857,Nd2Mo8O45,-6.7782145515,-0.9799875014,0.5350113402000001,0.5350113402000001,GGA+U,P-1,A8B2C45_aP55_2_4i_i_a22i:Mo-Nd-O,55.0,A8B2C45_aP55_2_4i_i_a22i:Mo-Nd-O +mp-1202578,Nd16(Mo3O8)7,-8.7721583544,-2.5241628806,0.223613107,0.223613107,GGA+U,P2_1/c,A21B16C56_mP186_14_a10e_8e_28e:Mo-Nd-O,186.0,A21B16C56_mP186_14_a10e_8e_28e:Mo-Nd-O +mp-28631,Nd(Mo4O7)2,-8.8489493607,-1.8582106533,0.2211067915,0.2211067915,GGA+U,Aea2,A8BC14_oC92_41_4b_a_2a6b:Mo-Nd-O,46.0,"Invalid WP multiplicities - A8BC14_oC92_41_7b_a_2a8b:Mo-Nd-O, expected Nd(Mo7O9)2 to be Nd(Mo4O7)2" +mp-705665,Nd4Mo31O56,-8.815169638,-1.8667925944,0.2353744926,0.2353744926,GGA+U,P1,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O,91.0,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O +mp-685430,Nd4Mo31O56,-8.705842956,-1.7574659124,0.3447011746,0.3447011746,GGA+U,P1,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O,91.0,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O +mp-1338404,Nd4Mo31O56,-5.9612032251,0.9871738186,3.0893409055,3.0893409055,GGA+U,P1,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O,91.0,A31B4C56_aP91_1_31a_4a_56a:Mo-Nd-O +mp-16672,NdMo5O8,-8.7377936257,-1.6970859348,0.4188191203,0.4188191203,GGA+U,P2_1/c,A5BC8_mP56_14_5e_e_8e:Mo-Nd-O,56.0,A5BC8_mP56_14_5e_e_8e:Mo-Nd-O +mp-18494,Nd2MoO6,-8.6690800636,-3.1066270367,0.0,-0.0597145892,GGA+U,I4_1/acd,AB2C6_tI72_142_a_d_eg:Mo-Nd-O,36.0,AB2C6_tI72_142_a_d_eg:Mo-Nd-O +mp-1209996,NdMoO2,-8.3622820725,-1.9854883313,0.7856853132,0.7856853132,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Mo-Nd-O,16.0,ABC2_tI32_141_c_d_h:Mo-Nd-O +mp-1201735,La21Mn8Sn7C12,-7.0395864415,-0.4611851824,0.0,-0.0588646386,GGA,Fm-3m,A12B21C8D7_cF192_225_g_bfh_f_ae:C-La-Mn-Sn,48.0,A12B21C8D7_cF192_225_g_bfh_f_ae:C-La-Mn-Sn +mp-1206443,La3SnC,-6.099530596,-0.4902788635,0.0,-0.0560890985,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-La-Sn,5.0,AB3C_cP5_221_b_c_a:C-La-Sn +mp-1189433,La5Sn3C,-5.745508115,-0.6413507169,0.0015531895,0.0015531895,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-La-Sn,18.0,AB5C3_hP18_193_b_dg_g:C-La-Sn +mp-20860,Mn3SnC,-8.161097688,-0.0162410433,0.0549294608,0.0549294608,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Mn-Sn,5.0,AB3C_cP5_221_b_c_a:C-Mn-Sn +mp-510471,GdCuS2,-8.2512995769,-1.6392424159,0.0,-0.0194881446,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Gd-S,16.0,ABC2_mP16_14_e_e_2e:Cu-Gd-S +mp-1226384,Gd(CuS)3,-6.6161143621,-1.0756726692,0.0,-0.0081606506,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Gd-S,14.0,A3BC3_hR42_148_f_c_f:Cu-Gd-S +mp-561122,Gd2SnS5,-8.3468665319,-1.7413583232,0.0133398272,0.0133398272,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Gd-S-Sn,16.0,"Invalid WP multiplicities - A2B5C_oP16_55_h_2a3g3h_c:Gd-S-Sn, expected Gd2SnS14 to be Gd2SnS5" +mp-556782,Gd3CuSnS7,-8.3338039746,-1.7261127818,0.0,-0.0043207051,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Gd-S-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b7c_b:Cu-Gd-S-Sn, expected Gd3CuSnS23 to be Gd3CuSnS7" +mp-6638,Nd2Fe2Si2C,-7.2324629143,-0.5816573661000001,0.0,-0.101710569,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Nd-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Nd-Si +mp-568729,Nd2Fe14C,-7.8432852696,0.2358475126,0.2521440946,0.2521440946,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Nd,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_4c4e13j25k_3f2g:C-Fe-Nd, expected Nd5Fe134C to be Nd2Fe14C" +mp-1199650,Nd2Fe14C,-8.092020325,-0.0128875428,0.0034090391,0.0034090391,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Nd,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Nd +mp-1189002,Nd5Si3C,-5.915507595,-0.4326901789,0.09358818,0.09358818,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Nd-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Nd-Si +mp-1190844,Nd2Fe17C3,-8.1021015305,0.1348371928,0.1726156327,0.1726156327,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Nd,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Nd +mp-1220593,Nd2Fe20Si2C,-8.053089112,-0.0924482873,0.0704157752,0.0704157752,GGA,P-1,AB20C2D2_aP25_2_d_ae9i_i_bg:C-Fe-Nd-Si,25.0,"Invalid WP multiplicities - AB20C2D2_aP25_2_d_ae17i_i_bg:C-Fe-Nd-Si, expected Nd2Fe36Si2C to be Nd2Fe20Si2C" +mp-1220532,Nd2Fe17C,-7.8526204825,0.2851455639,0.2989976585,0.2989976585,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Nd,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_cf2g3i3j_i:C-Fe-Nd, expected Nd2Fe25C to be Nd2Fe17C" +mp-1182753,Be2SiO4,-7.1630517445,-2.4929233724,0.6844270095,0.6810857798000001,GGA,P-1,A2B4C_aP42_2_6i_12i_3i:Be-O-Si,42.0,A2B4C_aP42_2_12i_24i_6i:Be-O-Si +mp-3347,Be2SiO4,-7.847478754,-3.1773503819,0.0,-0.0033412298,GGA,R-3,A2B4C_hR126_148_2f_4f_f:Be-O-Si,42.0,A2B4C_hR126_148_2f_4f_f:Be-O-Si +mp-1202186,Be3SiO6,-7.2803229407,-2.6479540515,0.1968896057,0.1968896057,GGA,P2_1/c,A3B6C_mP40_14_3e_6e_e:Be-O-Si,40.0,A3B6C_mP40_14_3e_6e_e:Be-O-Si +mp-1184610,HoBeO3,-7.525089224,-2.8927116502,0.365900659,0.365900659,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Ho-O,5.0,ABC3_cP5_221_b_a_c:Be-Ho-O +mp-1183445,BeSiO3,-6.761510964,-1.9605515583,1.2440033358,1.2440033358,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Be-O-Si,5.0,AB3C_cP5_221_a_c_b:Be-O-Si +mp-7013,Ho2Be2SiO7,-8.3146886125,-3.5900400726,0.0,-0.020116675,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Ho-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Ho-O-Si +mp-1183429,Be2Si2O5,-6.6990033978,-1.9142361371,1.101708397,1.101708397,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Be-O-Si,9.0,A2B5C2_tP9_123_h_ci_ab:Be-O-Si +mp-1192679,Be4Si2O9,-7.5234644673,-2.8348987393,0.1306282839,0.1306282839,GGA,Cmc2_1,A4B9C2_oC60_36_2b_3a3b_b:Be-O-Si,30.0,A4B9C2_oC60_36_2b_3a3b_b:Be-O-Si +mp-1194006,Be4Si2O9,-7.4243456607,-2.7357799326,0.2297470905,0.2297470905,GGA,Cmc2_1,A4B9C2_oC60_36_2b_3a3b_2a:Be-O-Si,30.0,A4B9C2_oC60_36_2b_3a3b_2a:Be-O-Si +mp-1114137,Rb2YHgBr6,-3.637869188,-1.8329302277,0.0936849115,0.0936849115,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-Rb-Y +mp-1110592,Rb2FeAuF6,-4.907464339,-2.390079823,0.134349592,0.134349592,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Fe-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Fe-Rb +mp-1018652,KCdSb,-2.5143957133,-0.4602990643,0.0,-0.1089426129,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cd-K-Sb,6.0,ABC_tP6_129_a_c_c:Cd-K-Sb +mp-1206096,KSb3,-3.2575375738,0.116813093,0.43732046,0.43732046,GGA,P6_3/mmc,AB3_hP8_194_c_bf:K-Sb,8.0,AB3_hP8_194_c_bf:K-Sb +mp-14017,K3Sb,-2.3161805863,-0.451131066,0.0,-0.1614097794,GGA,P6_3/mmc,A3B_hP8_194_bf_c:K-Sb,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:K-Sb, expected K5Sb to be K3Sb" +mp-10159,K3Sb,-2.288642825,-0.4235933048,0.0275377613,-0.1338720182,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Sb,4.0,A3B_cF16_225_ac_b:K-Sb +mp-685149,K5Sb4,-2.9165420067000003,-0.4645420406,0.0505180244,0.0456251674,GGA,P-1,A5B4_aP9_2_a2i_2i:K-Sb,9.0,"Invalid WP multiplicities - A5B4_aP9_2_a4i_3i:K-Sb, expected K3Sb2 to be K5Sb4" +mp-1223714,K5Sb4,-2.9661497811,-0.514149815,0.00091025,-0.003982607,GGA,Cm,A5B4_mC18_8_5a_4a:K-Sb,9.0,A5B4_mC18_8_5a_4a:K-Sb +mp-30021,K5Sb4,-2.9670600311,-0.515060065,0.0,-0.004892857,GGA,C2/m,A5B4_mC18_12_a2i_2i:K-Sb,9.0,A5B4_mC18_12_a2i_2i:K-Sb +mp-29055,KSb2,-3.5501436317,-0.427343156,0.0,-0.0759867046,GGA,C2/m,AB2_mC12_12_i_2i:K-Sb,6.0,AB2_mC12_12_i_2i:K-Sb +mp-1536,KSb,-3.1467347706,-0.5270346771000001,0.0,-0.0339038394,GGA,P2_1/c,AB_mP16_14_2e_2e:K-Sb,16.0,AB_mP16_14_2e_2e:K-Sb +mp-19774,Eu(CdSb)2,-4.647729996,-0.575573236,0.0,-0.0769403796,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cd-Eu-Sb,5.0,A2BC2_hP5_164_d_a_d:Cd-Eu-Sb +mp-1194660,K11Cd2Sb5,-2.4136956856,-0.4856304557,0.0,-0.0314433903,GGA,P-1,A2B11C5_aP36_2_2i_11i_5i:Cd-K-Sb,36.0,A2B11C5_aP36_2_2i_11i_5i:Cd-K-Sb +mp-1204226,KEu2Cd2Sb3,-5.2373323119,-0.7551840885000001,0.0,-0.0544518293,GGA,Pnma,A2B2CD3_oP32_62_2c_2c_c_3c:Cd-Eu-K-Sb,32.0,A2B2CD3_oP32_62_2c_2c_c_3c:Cd-Eu-K-Sb +mp-1207257,K2CdSb2,-2.144608582,0.1357294448,0.6227227542,0.6227227542,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Cd-K-Sb,5.0,AB2C2_tP5_123_a_g_g:Cd-K-Sb +mp-1110755,K2RbPrCl6,-4.274907908,-2.3675621398,0.1266449663,0.1266449663,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Pr-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Pr-Rb +mp-1191086,Nd2Mn3Cu9P7,-5.7419009405,-0.4176953063,0.1128270069,0.1128270069,GGA,P-6,A9B3C2D7_hP21_174_2jk_k_ad_ejk:Cu-Mn-Nd-P,21.0,A9B3C2D7_hP21_174_2jk_k_ad_ejk:Cu-Mn-Nd-P +mp-20203,MnCuP,-6.3810022975,-0.1561608079,0.2547258708,0.2547258708,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Mn-P,12.0,ABC_oP12_62_c_c_c:Cu-Mn-P +mp-21763,Nd(Cu2P)2,-5.1018676229,-0.5316420335,0.0,-0.069779952,GGA,Pnnm,A4BC2_oP42_58_6g_ag_3g:Cu-Nd-P,42.0,"Invalid WP multiplicities - A4BC2_oP42_58_9g_ag_4g:Cu-Nd-P, expected Nd3(Cu9P4)2 to be Nd(Cu2P)2" +mp-1221381,Na3Th6ZnF29,-6.8155090985,-4.1195255331,0.0073623876,0.0073623876,GGA,C2,A29B3C6D_mC156_5_29c_3c_6c_ab:F-Na-Th-Zn,78.0,"Invalid WP multiplicities - A29B3C6D_mC156_5_58c_3c_12c_ab:F-Na-Th-Zn, expected Na3Th12ZnF58 to be Na3Th6ZnF29" +mp-3795,NaZnF3,-4.43257325,-2.7692320888,0.0,-0.03202622,GGA,Pnma,A3BC_oP20_62_cd_c_a:F-Na-Zn,20.0,A3BC_oP20_62_cd_c_a:F-Na-Zn +mp-1200327,NaTh3F13,-7.1163451904,-4.268502448,0.0575594428,0.0575594428,GGA,P6_3/mmc,A13BC3_hP68_194_cefhi2k_f_k:F-Na-Th,68.0,A13BC3_hP68_194_cefhi2k_f_k:F-Na-Th +mp-3269,NaTh2F9,-7.0272690092,-4.2478063008,0.0060722179,0.0060722179,GGA,I-42m,A9BC2_tI48_121_efij_c_i:F-Na-Th,24.0,"Invalid WP multiplicities - A9BC2_tI48_121_efi2j_c_i:F-Na-Th, expected NaTh2F13 to be NaTh2F9" +mp-676074,Na2ThF6,-6.2363243283,-3.8443484792,0.0004909306,-0.0329730939,GGA,C2/c,A6B2C_mC36_15_3f_2e_e:F-Na-Th,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_10f_4e_e:F-Na-Th, expected Na4ThF20 to be Na2ThF6" +mp-1221258,Na2ThF6,-6.2347265611000005,-3.842750712,0.0020886978,-0.0313753267,GGA,Immm,A6B2C_oI18_71_fn_g_a:F-Na-Th,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f2n_g_a:F-Na-Th, expected Na2ThF12 to be Na2ThF6" +mp-4829,Na2ThF6,-6.2368152589,-3.8448394098,0.0,-0.0334640244,GGA,P321,A6B2C_hP9_150_ef_d_a:F-Na-Th,9.0,A6B2C_hP9_150_ef_d_a:F-Na-Th +mp-558864,CrHgF6,-4.9890918625000005,-2.3108916575,0.0,-0.0404132975,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Hg,8.0,AB6C_hR24_148_a_f_b:Cr-F-Hg +mp-554311,RbCrF6,-5.3965335288,-2.6337266103,0.0,-0.0649588956,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Rb,8.0,AB6C_hR24_148_a_f_b:Cr-F-Rb +mp-559386,Rb2Cr5F17,-6.5015534858,-3.0548264882,0.0075194376,0.0075194376,GGA+U,Cmcm,A5B17C2_oC192_63_g2h_2c4f2g5h_acf:Cr-F-Rb,96.0,"Invalid WP multiplicities - A5B17C2_oC192_63_3g12h_4c15f8g39h_2a2cf:Cr-F-Rb, expected Rb3Cr27F103 to be Rb2Cr5F17" +mp-1206053,CrHg3F6,-3.904276647,-1.70098041,0.36750337,0.36750337,GGA+U,P-1,AB6C3_aP10_2_d_3i_bce:Cr-F-Hg,10.0,AB6C3_aP10_2_d_3i_bce:Cr-F-Hg +mp-1237300,CrHg3F6,-3.93832622,-1.735029983,0.333453797,0.333453797,GGA+U,P-1,AB6C3_aP10_2_d_3i_bce:Cr-F-Hg,10.0,AB6C3_aP10_2_d_3i_bce:Cr-F-Hg +mp-20919,Rb3CrF7,-5.3058866864,-2.9445228264,0.0,-6.31755e-05,GGA+U,P4/mbm,AB7C3_tP22_127_c_ahk_bg:Cr-F-Rb,22.0,AB7C3_tP22_127_c_ahk_bg:Cr-F-Rb +mp-1214307,Cr3HgF6,-5.715639089,-1.642469431,0.8995498115,0.8995498115,GGA+U,P-1,A3B6C_aP10_2_bcd_3i_a:Cr-F-Hg,10.0,A3B6C_aP10_2_bcd_3i_a:Cr-F-Hg +mp-559677,RbCrF5,-5.7612540704,-2.8768288732,0.0,-0.0255435687,GGA+U,Pmc2_1,AB5C_oP28_26_ab_2a2b3c_ab:Cr-F-Rb,28.0,"Invalid WP multiplicities - AB5C_oP28_26_2ab_4a4b12c_ab:Cr-F-Rb, expected Rb2Cr3F32 to be RbCrF5" +mp-1112407,Rb2CrHgF6,-4.910773109,-2.5721061305,0.1945656538,0.1945656538,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-Rb +mp-1237566,Rb3CrF6,-5.427645632,-3.0212932828,0.053576261,0.0363649132,GGA+U,P-1,AB6C3_aP10_2_a_3i_bcd:Cr-F-Rb,10.0,AB6C3_aP10_2_a_3i_bcd:Cr-F-Rb +mp-1209520,Rb3CrF6,-5.42755273,-3.0212003807,0.053669163,0.0364578152,GGA+U,C2/m,AB6C3_mC20_12_a_ij_ce:Cr-F-Rb,10.0,AB6C3_mC20_12_c_ij_ae:Cr-F-Rb +mp-1113631,Rb3CrF6,-5.481221893,-3.0748695438,0.0,-0.0172113477,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Cr-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Cr-F-Rb +mp-560562,Rb2CrF6,-5.5247742922,-2.95999769,0.0,-0.0418002899,GGA+U,Fm-3m,AB6C2_cF36_225_a_e_c:Cr-F-Rb,9.0,AB6C2_cF36_225_a_e_c:Cr-F-Rb +mp-27154,Rb2CrF5,-5.7498769328,-3.1034381262,0.0,-0.033193903,GGA+U,Pnma,AB5C2_oP32_62_c_a2cd_2c:Cr-F-Rb,32.0,AB5C2_oP32_62_c_a2cd_2c:Cr-F-Rb +mp-1111790,Rb2SbAuI6,-2.789978009,-0.9695630605,0.0683156282,0.0683156282,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Sb +mp-1093748,Rb2AuI,-2.27082127,-0.5937421462,0.4037525925,0.4037525925,GGA,Immm,ABC2_oI8_71_a_b_e:Au-I-Rb,4.0,ABC2_oI8_71_a_b_e:Au-I-Rb +mp-568666,RbAuI3,-2.675341361,-0.9404383365,0.0,-0.0169851964,GGA,C2/m,AB3C_mC20_12_ad_ij_i:Au-I-Rb,10.0,"Invalid WP multiplicities - AB3C_mC20_12_ac_2ij_i:Au-I-Rb, expected RbAuI4 to be RbAuI3" +mp-1209502,Rb3Au3I8,-2.71346233,-0.9598781145,0.002739942,0.002739942,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-I-Rb,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-I-Rb +mp-1110766,Rb3SbI6,-2.824738948,-1.2336587923,0.0854623875,0.0854623875,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Rb-Sb,10.0,A6B3C_cF40_225_e_ac_b:I-Rb-Sb +mp-1209693,Rb3Sb2I9,-2.8939488529,-1.1468130066,0.0,-0.01977462,GGA,Pc,A9B3C2_mP56_7_18a_6a_4a:I-Rb-Sb,56.0,A9B3C2_mP56_7_18a_6a_4a:I-Rb-Sb +mp-1195452,Rb3Sb2I9,-2.8931417377,-1.1460058914,0.0008071152,-0.0189675048,GGA,P2_1/c,A9B3C2_mP56_14_9e_3e_2e:I-Rb-Sb,56.0,A9B3C2_mP56_14_9e_3e_2e:I-Rb-Sb +mp-1184913,InAsO3,-5.649403552,-1.1992298982,0.6146074498,0.6146074498,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-In-O,5.0,ABC3_cP5_221_b_a_c:As-In-O +mp-1191856,In2As2Cl2O5,-5.6829292091,-1.7509181958000002,0.0,-0.0187137984,GGA,P-1,A2B2C2D5_aP22_2_2i_2i_2i_5i:As-Cl-In-O,22.0,A2B2C2D5_aP22_2_2i_2i_2i_5i:As-Cl-In-O +mp-29863,AsCl3O,-4.188813655,-1.1585302357,0.0,-0.0367381361,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:As-Cl-O,20.0,AB3C_mP20_14_e_3e_e:As-Cl-O +mp-1213280,InAsO6,-5.5418343603,-0.90546756,0.4019949195,0.4019949195,GGA,Pbca,ABC6_oP64_61_c_c_6c:As-In-O,64.0,ABC6_oP64_61_c_c_6c:As-In-O +mp-27702,InClO,-4.99980449,-1.8175014563,0.0,-0.0668888333,GGA,Pmmn,ABC_oP6_59_a_b_a:Cl-In-O,6.0,ABC_oP6_59_a_b_a:Cl-In-O +mp-1112026,K2TlHgBr6,-2.765617098,-1.3450879594,0.0670045935,0.0670045935,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Tl +mp-1096121,KTlHg2,-0.54260346,0.4774972459,0.6881288729,0.6881288729,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-K-Tl,4.0,A2BC_oI8_71_e_a_b:Hg-K-Tl +mp-1028127,Mg14MnB,-2.177584145,0.2127488402,0.2809805827,0.2809805827,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Mn, expected Mg18MnB to be Mg14MnB" +mp-1028067,Mg14MnB,-2.1643399188,0.2259930664,0.294224809,0.294224809,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Mn, expected Mg26MnB to be Mg14MnB" +mp-1022889,Mg6MnB,-2.7957355344,0.384650386,0.5146256064,0.5146256064,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Mn, expected Mg12MnB to be Mg6MnB" +mp-1022952,Mg6MnB,-2.7525570875,0.4278288329,0.5578040532,0.5578040532,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Mn, expected Mg12MnB to be Mg6MnB" +mp-1096216,MgMnIr2,-4.1676209125,2.942170013,3.2227558755,3.2227558755,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Mg-Mn,4.0,A2BC_oI8_71_e_a_b:Ir-Mg-Mn +mp-1185894,MgMnIr2,-7.361938535,-0.2521476095,0.028438253,0.028438253,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Mn,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Mn +mp-1189623,Mg2MnB2Ir5,-7.434064847,-0.4427118636,0.0,-0.064359509,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Mn,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Mn +mp-1112069,K2InAuBr6,-3.110114993,-1.3536616326,0.1119110301,0.1119110301,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-In-K +mp-21134,K(InAu2)2,-3.1041881414,-0.2885746547,0.0,-0.0344328956,GGA,I4/mcm,A4B2C_tI28_140_l_h_a:Au-In-K,14.0,A4B2C_tI28_140_l_h_a:Au-In-K +mp-867331,K3InAu5,-2.8227731894,-0.3280742371,0.0,-0.0010828321,GGA,Imma,A5BC3_oI36_74_agh_e_eh:Au-In-K,18.0,"Invalid WP multiplicities - A5BC3_oI36_74_a2gh_e_e2h:Au-In-K, expected K5InAu7 to be K3InAu5" +mp-567545,K(In3Au2)2,-3.0559226527,-0.2635563503,0.0,-0.0170601469,GGA,P-6m2,A4B6C_hP11_187_ak_jk_c:Au-In-K,11.0,"Invalid WP multiplicities - A4B6C_hP11_187_ak_2j2k_c:Au-In-K, expected K(In3Au)4 to be K(In3Au2)2" +mp-1225487,K3(InAu)8,-2.9634139289,-0.2510074721,0.0306707428,0.0306707428,GGA,Pm,A8B8C3_mP38_6_4a4b4c_4a4b4c_3c:Au-In-K,38.0,A8B8C3_mP38_6_4a4b4c_4a4b4c_3c:Au-In-K +mp-1201076,Y4Ga21Ni10,-4.7158651103,-0.5085146038,0.0026877311,0.0026877311,GGA,C2/m,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Y,35.0,A21B10C4_mC70_12_a10i_5i_2i:Ga-Ni-Y +mp-1216146,YGa2Ni3,-5.4151760739,-0.4379972075,0.1080226178,0.0717306933,GGA,P-6m2,A2B3C_hP18_187_2j_jm_adf:Ga-Ni-Y,18.0,A2B3C_hP18_187_2j_jm_adf:Ga-Ni-Y +mp-30659,YGa2Ni3,-5.5231986917,-0.5460198253,0.0,-0.0362919245,GGA,P6/mmm,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Y,18.0,A2B3C_hP18_191_k_fl_ad:Ga-Ni-Y +mp-1191954,Y3(GaNi3)2,-6.0101557927,-0.5432080232000001,0.0,-0.0258600469,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Ga-Ni-Y,22.0,A2B6C3_cI44_229_c_h_e:Ga-Ni-Y +mp-1215976,YNiGe,-6.34114454,-0.7179326572,0.0788994108,-0.0008940484,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ni-Y,6.0,ABC_mC12_12_i_i_i:Ge-Ni-Y +mp-1103655,YNiGe,-6.4200439508,-0.7968320681000001,0.0,-0.0797934592,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Y,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Y +mp-1207820,Y3NiGe2,-6.5483732283,-0.8107722733,0.0,-0.0188792918,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Y,24.0,A2BC3_oP24_62_2c_c_3c:Ge-Ni-Y +mp-1102603,YGaNi,-5.7329330783,-0.6413651397,0.0,-0.0404289056,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Y,12.0,ABC_oP12_62_c_c_c:Ga-Ni-Y +mp-1216105,YGa3NiGe,-4.8453072275,-0.5196532749,0.0091219281,0.0091219281,GGA,I4mm,A3BCD_tI24_107_3b_2a_2a_2a:Ga-Ge-Ni-Y,12.0,A3BCD_tI24_107_3b_2a_2a_2a:Ga-Ge-Ni-Y +mp-1216196,Y3Ga8Ni3,-4.9184616057,-0.5638479229000001,0.04337493,0.04337493,GGA,Cm,A8B3C3_mC28_8_8a_3a_3a:Ga-Ni-Y,14.0,A8B3C3_mC28_8_8a_3a_3a:Ga-Ni-Y +mp-11444,YGa2Ni,-5.2302186012,-0.6545186417000001,0.0,-0.0496253071,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Ni-Y,8.0,A2BC_oC16_63_f_c_c:Ga-Ni-Y +mp-1205805,Y2NiGe6,-5.6822824222,-0.5210328626,0.0143944028,0.0143944028,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Y,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Ni-Y +mp-1188481,YGa3Ni2,-4.9933309411,-0.4748255176,0.0943382396,0.0943382396,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Ga-Ni-Y,18.0,A3B2C_hP18_191_fl_k_ad:Ga-Ni-Y +mp-8467,YNiGe3,-5.802276762,-0.5791384903,0.0,-0.017455074,GGA,Cmmm,A3BC_oC20_65_2gh_g_h:Ge-Ni-Y,10.0,A3BC_oC20_65_2gh_g_h:Ge-Ni-Y +mp-1070755,Y2GaNi2,-6.06233263,-0.5580703082,0.0,-0.0005212635,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Y,5.0,AB2C2_oI10_71_a_f_h:Ga-Ni-Y +mp-5109,Y(NiGe)2,-6.151273596,-0.6967135593,0.0,-0.0562296919,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-Y,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-Y +mp-1079802,YNiGe2,-6.0752701463,-0.7021042704,0.0,-0.018446538,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ge-Ni-Y,8.0,A2BC_oC16_63_2c_c_c:Ge-Ni-Y +mp-21806,YNi5Ge3,-6.0042872289,-0.5335941091,0.0,-0.0176301422,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:Ge-Ni-Y,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_5c_8c_c:Ge-Ni-Y, expected YNi8Ge5 to be YNi5Ge3" +mp-1216073,Y2NiGe3,-6.1442883983,-0.7139279864,0.0523161925,0.0523161925,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Ge-Ni-Y,6.0,A3BC2_oP6_25_a2b_a_cd:Ge-Ni-Y +mp-1095535,YGa4Ni,-4.6039937817,-0.5441618011,0.0,-0.0288052717,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Ga-Ni-Y,12.0,A4BC_oC24_63_acf_c_c:Ga-Ni-Y +mp-1207888,Y3Ni11Ge4,-6.0735382314,-0.4361477736,0.0703153242,0.0703153242,GGA,P6_3/mmc,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Y,36.0,A4B11C3_hP36_194_bg_fhk_h:Ge-Ni-Y +mp-1216091,Y2Ga3Ni,-5.2665301383,-0.6336356426,0.02536693,0.02536693,GGA,P3m1,A3BC2_hP6_156_a2b_a_2c:Ga-Ni-Y,6.0,A3BC2_hP6_156_a2b_a_2c:Ga-Ni-Y +mp-650968,Nd5(FeB)18,-7.6568843806,-0.4244411899,0.000941009,0.000941009,GGA,Pccn,A18B18C5_oP164_56_9e_9e_5c:B-Fe-Nd,164.0,"Invalid WP multiplicities - A18B18C5_oP164_56_63e_68e_17c:B-Fe-Nd, expected Nd17(Fe68B63)2 to be Nd5(FeB)18" +mp-616958,Nd2Fe14B,-7.7390764262,0.1900990783,0.2470947324,0.2470947324,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Nd,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_3c4e14j26k_3f4g:B-Fe-Nd, expected Nd7Fe139B to be Nd2Fe14B" +mp-5182,Nd2Fe14B,-7.9850513949,-0.0558758904,0.0011197637,0.0011197637,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Nd,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Nd +mp-1210236,Nd2(Fe7B2)3,-7.9413811445,-0.0971366307,0.1033308424,0.1033308424,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Fe-Nd,29.0,A6B21C2_cF116_225_e_afh_c:B-Fe-Nd +mp-3045,ErFe4B,-7.7714111817,-0.2502119449,0.0,-0.0210228335,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Er-Fe,12.0,ABC4_hP12_191_c_ab_di:B-Er-Fe +mp-1106404,Nd(FeB)4,-7.6935004261,-0.430633831,0.0,-0.0101832476,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Fe-Nd,18.0,A4B4C_tP18_86_g_g_a:B-Fe-Nd +mp-1220953,Nd3ErFe34,-8.0386348037,0.0364410449,0.0469216424,0.0469216424,GGA,Cm,AB34C3_mC76_8_a_10a12b_3a:Er-Fe-Nd,38.0,"Invalid WP multiplicities - AB34C3_mC76_8_a_10a23b_3a:Er-Fe-Nd, expected Nd3ErFe56 to be Nd3ErFe34" +mp-8793,Nd5(FeB3)2,-6.6057654046,-0.3859861579,0.0,-0.0151318236,GGA,R-3m,A6B2C5_hR39_166_f_c_b2c:B-Fe-Nd,13.0,A6B2C5_hR39_166_f_c_b2c:B-Fe-Nd +mp-1220333,NdEr3Fe34,-8.0649737229,-0.0004467491,0.0309950432,0.0309950432,GGA,Cm,A3B34C_mC76_8_3a_10a12b_a:Er-Fe-Nd,38.0,"Invalid WP multiplicities - A3B34C_mC76_8_3a_10a24b_a:Er-Fe-Nd, expected NdEr3Fe58 to be NdEr3Fe34" +mp-1220311,NdEr3Fe34,-8.0651405671,-0.0006135934,0.030828199,0.030828199,GGA,P-6m2,A3B34C_hP38_187_abc_hilm3n_f:Er-Fe-Nd,38.0,"Invalid WP multiplicities - A3B34C_hP38_187_abc_h2ilm4n_f:Er-Fe-Nd, expected Nd(ErFe14)3 to be NdEr3Fe34" +mp-3190,Er(FeB)2,-7.42435801,-0.4510490557,0.0,-0.0120640165,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:B-Er-Fe,5.0,A2BC2_tI10_139_e_a_d:B-Er-Fe +mp-1220643,NdErFe14B,-7.9974334337,-0.0800478482,0.00826225,0.00826225,GGA,P4_2/mnm,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Nd,68.0,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Nd +mp-1104491,Nd4(FeB2)3,-6.7979454085,-0.2934066404,0.1072299119,0.1072299119,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Fe-Nd,13.0,A6B3C4_hR39_166_f_bc_2c:B-Fe-Nd +mp-1220213,NdErFe17,-8.0544047811,0.0153966301,0.036357825,0.036357825,GGA,R3m,AB17C_hR57_160_a_2a3bc_a:Er-Fe-Nd,19.0,AB17C_hR57_160_a_2a3bc_a:Er-Fe-Nd +mp-1220296,NdErFe17,-8.0523334232,0.017467988,0.0384291829,0.0384291829,GGA,P6_3/mmc,AB17C_hP38_194_b_fgjk_c:Er-Fe-Nd,38.0,AB17C_hP38_194_b_fgjk_c:Er-Fe-Nd +mp-1190715,Er3FeB7,-6.9048499359,-0.6385844781000001,0.0,-0.0312042047,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Er-Fe,22.0,A7B3C_oC44_63_c3f_cf_c:B-Er-Fe +mp-3680,Er2Fe14B,-8.0231941293,-0.1175984627,0.0,-0.0058611467,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:B-Er-Fe,68.0,AB2C14_tP68_136_f_fg_ce2j2k:B-Er-Fe +mp-1191434,ErFeB4,-7.2652565346,-0.6393720174,0.0,-0.0947240586,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Fe,24.0,A4BC_oP24_55_4h_g_g:B-Er-Fe +mp-641957,Nd(Fe2B)6,-7.9880216074,-0.2782977875,0.0227898518,0.0227898518,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Fe-Nd,19.0,"Invalid WP multiplicities - A6B12C_hR57_166_h_3f3h_b:B-Fe-Nd, expected Nd(Fe6B)6 to be Nd(Fe2B)6" +mp-568158,Nd2Fe23B3,-8.1090294033,-0.095280903,0.0085326098,0.0085326098,GGA,I-43d,A3B23C2_cI224_220_d_cd3e_c:B-Fe-Nd,112.0,"Invalid WP multiplicities - A3B23C2_cI224_220_d_8c10d55e_c:B-Fe-Nd, expected Nd2Fe376B3 to be Nd2Fe23B3" +mp-3283,RbNbO3,-8.024195444,-2.8398143948000003,0.0,-0.2562698761,GGA,P-1,AB3C_aP20_2_2i_6i_abi:Nb-O-Rb,20.0,AB3C_aP20_2_2i_6i_abi:Nb-O-Rb +mp-756063,RbNbO3,-7.9998760765,-2.8154950273,0.0243193675,-0.2319505086,GGA,C2/m,AB3C_mC40_12_gi_2i2j_hi:Nb-O-Rb,20.0,"Invalid WP multiplicities - AB3C_mC40_12_g2i_4i3j_h2i:Nb-O-Rb, expected Rb3Nb3O10 to be RbNbO3" +mp-1075911,RbNbO3,-7.941458902,-2.7570778527,0.082736542,-0.1735333341,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nb-O-Rb,5.0,AB3C_cP5_221_b_c_a:Nb-O-Rb +mp-560765,Rb4Nb35Al2O70,-9.2895074004,-2.8820553811,0.0,-0.0465925826,GGA,P-3,A2B35C70D4_hP111_147_d_acd5g_2d11g_cd:Al-Nb-O-Rb,111.0,"Invalid WP multiplicities - A2B35C70D4_hP111_147_d_a2c2d28g_4d60g_c2d:Al-Nb-O-Rb, expected Rb6Nb177Al2O368 to be Rb4Nb35Al2O70" +mp-9808,Rb3NbO8,-6.0648652158,-1.6801638035000002,0.0,-0.0103535599,GGA,I-42m,AB8C3_tI24_121_a_2i_bd:Nb-O-Rb,12.0,AB8C3_tI24_121_a_2i_bd:Nb-O-Rb +mp-541806,Rb4Nb11O30,-8.7831607918,-2.9290018347,0.0,-0.0144111177,GGA,R-3m,A11B30C4_hR135_166_cdh_5h_2c:Nb-O-Rb,45.0,A11B30C4_hR135_166_cdh_5h_2c:Nb-O-Rb +mp-14070,RbAlO2,-6.51667368,-2.8618018487,0.0,-0.1317254437,GGA,Fd-3m,AB2C_cF32_227_a_c_b:Al-O-Rb,8.0,AB2C_cF32_227_a_c_b:Al-O-Rb +mp-852009,NbAlO4,-8.7815970746,-3.1759911221,0.0509519554,0.0225397373,GGA,Cm,ABC4_mC48_8_4a_4a_16a:Al-Nb-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_4i_4i_12i:Al-Nb-O, expected NbAlO3 to be NbAlO4" +mp-753472,NbAlO4,-8.7950654792,-3.1894595267,0.0374835508,0.0090713327,GGA,C2/m,ABC4_mC48_12_2i_2i_8i:Al-Nb-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_4i_4i_12i:Al-Nb-O, expected NbAlO3 to be NbAlO4" +mp-27927,NbAlO4,-8.83254903,-3.2269430775,0.0,-0.0284122181,GGA,C2/m,ABC4_mC24_12_i_i_4i:Al-Nb-O,12.0,ABC4_mC24_12_i_i_4i:Al-Nb-O +mp-1173619,NbAlO4,-8.8181527582,-3.2125468057,0.0143962718,-0.0140159463,GGA,C2/m,ABC4_mC144_12_6i_6i_24i:Al-Nb-O,72.0,"Invalid WP multiplicities - ABC4_aP72_2_12i_11i_48i:Al-Nb-O, expected Nb11Al12O48 to be NbAlO4" +mp-1220449,NbAlO4,-8.7850074283,-3.1794014758,0.0475416017,0.0191293836,GGA,C2/m,ABC4_mC24_12_i_i_4i:Al-Nb-O,12.0,ABC4_mC24_12_i_i_4i:Al-Nb-O +mp-1076323,Rb2Nb2O5,-7.6497415189,-2.4389502099,0.1905075631,0.1905075631,GGA,Ima2,A2B5C2_oI36_46_ab_b2c_c:Nb-O-Rb,18.0,A2B5C2_oI36_46_ab_b2c_c:Nb-O-Rb +mp-760837,Rb3Nb20O34,-9.2211953658,-2.6746143272,0.0157364918,0.0157364918,GGA,Pm,A20B34C3_mP57_6_6a6b4c_7a7b10c_2ab:Nb-O-Rb,57.0,"Invalid WP multiplicities - A20B34C3_mP57_6_6a6b6c_7a7b20c_2ab:Nb-O-Rb, expected RbNb8O18 to be Rb3Nb20O34" +mp-766387,RbAl11O17,-7.7319946103,-3.3776643933,0.0,-0.0283517381,GGA,P6_3/mmc,A11B17C_hP58_194_a2fk_cef2k_d:Al-O-Rb,58.0,"Invalid WP multiplicities - A11B17C_hP58_194_a6f3k_2c2e3f11k_d:Al-O-Rb, expected RbAl31O78 to be RbAl11O17" +mp-14951,Rb3AlO3,-5.2688240979,-2.1935035005,0.0,-0.0723628136,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Al-O-Rb,14.0,AB3C3_mC28_12_i_ij_ghi:Al-O-Rb +mp-975427,RbAlO3,-5.839371856,-1.9261366487,0.4014505846,0.4014505846,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Rb,5.0,AB3C_cP5_221_b_c_a:Al-O-Rb +mp-4309,BaGa4S7,-4.841396525,-1.2591875168,0.0,-0.0044517106,GGA,Pmn2_1,AB4C7_oP24_31_a_2b_a3b:Ba-Ga-S,24.0,"Invalid WP multiplicities - AB4C7_oP24_31_a_2b_a4b:Ba-Ga-S, expected BaGa4S9 to be BaGa4S7" +mp-29302,Ba3(GaS3)2,-5.1231153291,-1.7929502322,0.0,-0.0040836148,GGA,C2/c,A3B2C6_mC44_15_ef_f_3f:Ba-Ga-S,22.0,A3B2C6_mC44_15_ef_f_3f:Ba-Ga-S +mp-18421,Ba2Ga2S5,-5.0659840517,-1.6686072451,0.0,-0.0042801268,GGA,C2/c,A2B2C5_mC72_15_2f_2f_2e4f:Ba-Ga-S,36.0,"Invalid WP multiplicities - A2B2C5_mC72_15_2f_2f_2e5f:Ba-Ga-S, expected BaGaS3 to be Ba2Ga2S5" +mp-849286,Ba(GaS2)2,-4.9652002896,-1.4622050821,0.0,-0.0275519675,GGA,Pa-3,AB2C4_cP84_205_ac_d_2d:Ba-Ga-S,84.0,"Invalid WP multiplicities - AB2C4_cP84_205_2a2c_d_9d:Ba-Ga-S, expected BaGaS9 to be Ba(GaS2)2" +mp-1204726,Ba3GaS4Br,-5.0692948228,-2.0822005294,0.0,-0.0292785094,GGA,Pnma,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Br-Ga-S,36.0,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Br-Ga-S +mp-1199702,Ba2GaS4,-5.1435165211000005,-1.7989671825,0.0,-0.0144694396,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:Ba-Ga-S,56.0,A2BC4_mP56_14_4e_2e_8e:Ba-Ga-S +mp-29301,Ba4Ga2S7,-5.1557542377,-1.8721203244,0.0034589715,0.0034589715,GGA,P2_1/m,A4B2C7_mP26_11_4e_2e_3e2f:Ba-Ga-S,26.0,A4B2C7_mP26_11_4e_2e_3e2f:Ba-Ga-S +mp-28252,Ba5(GaS4)2,-5.1818608772,-1.9323498318,0.0038241108,0.0038241108,GGA,Cmce,A5B2C8_oC120_64_e2g_df_2f3g:Ba-Ga-S,60.0,"Invalid WP multiplicities - A5B2C8_oC120_64_e2g_df_3f5g:Ba-Ga-S, expected Ba5Ga2S13 to be Ba5(GaS4)2" +mp-769673,Tb2Bi2O7,-7.2405707377,-2.5517951524,0.0649759012,0.0649759012,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Bi-O-Tb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Bi-O-Tb, expected TbBiO10 to be Tb2Bi2O7" +mp-757715,Tb(BiO2)3,-6.7891855208,-2.205588945,0.0372284172,0.0372284172,GGA,I2_13,A3B6C_cI80_199_2b_2c_a:Bi-O-Tb,40.0,A3B6C_cI80_206_d_e_a:Bi-O-Tb +mp-651836,Bi4Cl2O5,-5.662427074,-1.6812931289000002,0.0193756644,0.0193756644,GGA,Pnma,A4B2C5_oP132_62_12c_6c_15c:Bi-Cl-O,132.0,"Invalid WP multiplicities - A4B2C5_oP132_62_45c_21c_57c:Bi-Cl-O, expected Bi15Cl7O19 to be Bi4Cl2O5" +mp-560085,Bi24Cl10O31,-5.7600571972,-1.6984501853,0.0,-0.0128903268,GGA,P2/c,A24B10C31_mP130_13_12g_2e4g_f15g:Bi-Cl-O,130.0,"Invalid WP multiplicities - A24B10C31_mP130_13_45g_4e14g_2f58g:Bi-Cl-O, expected Bi45Cl16O59 to be Bi24Cl10O31" +mp-1206816,TbClO2,-6.39075893,-2.2966888844,0.3687458495,0.3687458495,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Tb,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Tb +mp-547125,TbBi2ClO4,-6.7201793437,-2.4763498606,0.0,-0.0620327343,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Tb,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Tb +mp-766035,Bi12Cl5O16,-5.7336776361,-1.6586602955,0.0232350137,0.0232350137,GGA,C2/m,A12B5C16_mC66_12_6i_a2i_8i:Bi-Cl-O,33.0,"Invalid WP multiplicities - A12B5C16_mC66_12_11i_a4i_15i:Bi-Cl-O, expected Bi22(Cl3O10)3 to be Bi12Cl5O16" +mp-1206832,Bi2Cl2O,-3.90545163,-0.6405035717,0.7661748082000001,0.7661748082000001,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Bi-Cl-O,5.0,A2B2C_tP5_123_g_g_a:Bi-Cl-O +mp-1068954,Tb2BiO2,-7.574392542,-2.9738727915,0.0,-0.0788387828,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-O-Tb,5.0,AB2C2_tI10_139_a_d_e:Bi-O-Tb +mp-1207286,Tb2Cl2O,-5.294341366,-1.7118425197,1.0861651033,1.0861651033,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-O-Tb,5.0,A2BC2_tP5_123_g_a_g:Cl-O-Tb +mp-1189972,Tb(ClO2)3,-4.975112329,-0.9891014942,0.3341162085,0.3341162085,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Tb,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Tb +mp-753055,TbBi5O9,-6.5423749107,-1.9852409006,0.064073562,0.064073562,GGA,P1,A5B9C_aP15_1_5a_9a_a:Bi-O-Tb,15.0,A5B9C_aP15_1_5a_9a_a:Bi-O-Tb +mp-1208575,Tb(ClO4)3,-5.3193607922,-0.9730957538,0.0,-0.0943990179,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Tb,32.0,A3B12C_hP32_176_h_2hi_c:Cl-O-Tb +mp-22939,BiClO,-5.25792442,-1.7126862529,0.0,-0.1027981367,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-Cl-O,6.0,ABC_tP6_129_c_c_a:Bi-Cl-O +mp-29096,Hg3(SBr)2,-2.3948007032,-0.6390867763,0.0,-0.061126938,GGA,C2/m,A2B3C2_mC56_12_ab3i_2i2j_2j:Br-Hg-S,28.0,A2B3C2_mC56_12_ab3i_2i2j_2j:Br-Hg-S +mp-559832,Hg3(SBr)2,-2.3932847764,-0.6375708495,0.0015159268,-0.0596110112,GGA,C2/m,A2B3C2_mC56_12_4i_eg2ij_2j:Br-Hg-S,28.0,"Invalid WP multiplicities - A2B3C2_mC56_12_7i_e2h4i3j_5j:Br-Hg-S, expected Hg13S10Br7 to be Hg3(SBr)2" +mp-721815,HgSBr,-2.5060801883,-0.5083606677,0.0752466277,0.0752466277,GGA,P2_1/m,ABC_mP6_11_e_e_e:Br-Hg-S,6.0,ABC_mP6_11_e_e_e:Br-Hg-S +mp-622294,Hg2Pb(SBr)2,-2.9458942511,-0.7031850805000001,0.0916729929,0.0916729929,GGA,P2_1/c,A2B2CD2_mP28_14_2e_2e_e_2e:Br-Hg-Pb-S,28.0,"Invalid WP multiplicities - A2B2CD2_mP28_14_4e_6e_e_6e:Br-Hg-Pb-S, expected Hg6Pb(S3Br2)2 to be Hg2Pb(SBr)2" +mp-1245640,Pb4SBr6,-3.7768260736,-1.2036253348,0.0430066402,0.0430066402,GGA,Imm2,A6B4C_oI22_44_3c_abc_a:Br-Pb-S,11.0,"Invalid WP multiplicities - A6B4C_oI22_44_3c_ab2c_a:Br-Pb-S, expected Pb6SBr6 to be Pb4SBr6" +mp-1218954,SnPb4S5,-4.699918585,-0.7456776381,0.0197784952,0.0197784952,GGA,I4/mmm,A4B5C_tI20_139_2e_a2e_b:Pb-S-Sn,10.0,"Invalid WP multiplicities - A4B5C_tI20_139_3e_a3e_b:Pb-S-Sn, expected SnPb6S7 to be SnPb4S5" +mp-1218922,SnTe(PbS)4,-4.566360809,-0.7114342594,0.0204656653,0.0204656653,GGA,R3m,A4B4CD_hR30_160_4a_4a_a_a:Pb-S-Sn-Te,10.0,A4B4CD_hR30_160_4a_4a_a_a:Pb-S-Sn-Te +mp-1218961,SnPbS2,-4.69310877,-0.6943291053,0.0425248881,0.0425248881,GGA,P1,AB2C_aP8_1_2a_4a_2a:Pb-S-Sn,8.0,AB2C_aP8_1_2a_4a_2a:Pb-S-Sn +mp-1079196,SnPbS2,-4.2532422537,-0.2544625891,0.4823914044,0.4823914044,GGA,Pmc2_1,AB2C_oP8_26_a_2a_a:Pb-S-Sn,8.0,AB2C_oP8_26_a_2a_a:Pb-S-Sn +mp-1218951,SnPbS2,-4.72180726,-0.7230275953,0.0138263981,0.0138263981,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Pb-S-Sn,8.0,AB2C_oP8_26_a_ab_b:Pb-S-Sn +mp-1218952,SnPbS2,-4.7101431025,-0.7113634378,0.0254905556,0.0254905556,GGA,R-3m,AB2C_hR12_166_a_c_b:Pb-S-Sn,4.0,AB2C_hR12_166_a_c_b:Pb-S-Sn +mp-1188095,SnPbS3,-4.759090673,-0.7327769679,0.007081249,0.007081249,GGA,Pnma,AB3C_oP20_62_c_3c_c:Pb-S-Sn,20.0,AB3C_oP20_62_c_3c_c:Pb-S-Sn +mp-1217286,TePb2S,-4.2938892275,-0.6176267524,0.0830069525,0.0830069525,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Pb-S-Te,4.0,A2BC_tP4_123_ad_b_c:Pb-S-Te +mp-1217283,TePb2S,-4.3543571175,-0.6780946424000001,0.0225390625,0.0225390625,GGA,R-3m,A2BC_hR12_166_c_a_b:Pb-S-Te,4.0,A2BC_hR12_166_c_a_b:Pb-S-Te +mp-9765,Nd2Pt2O7,-7.4681029045,-2.3494317697,0.0,-0.1243170875,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Pt,22.0,A2B7C2_cF88_227_c_af_d:Nd-O-Pt +mp-1197807,Nd2Mo6PtO38,-6.346994987,-0.6309205216,0.8734003480000001,0.8734003480000001,GGA+U,C2/c,A6B2C38D_mC188_15_3f_f_19f_c:Mo-Nd-O-Pt,94.0,A6B2C38D_mC188_15_3f_f_19f_a:Mo-Nd-O-Pt +mp-1225567,DyTl2InS4,-4.710713355,-1.1320188136,0.1248721273,0.1248721273,GGA,I-42m,ABC4D2_tI16_121_a_b_i_c:Dy-In-S-Tl,8.0,ABC4D2_tI16_121_a_b_i_c:Dy-In-S-Tl +mp-31166,DyTlS2,-5.54828832,-1.7377058899,0.0,-0.0646343522,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-S-Tl,4.0,AB2C_hR12_166_a_c_b:Dy-S-Tl +mp-1184139,Dy2TlIn,-3.97787485,-0.3958997108,0.0,-0.00560178,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-In-Tl,4.0,A2BC_cF16_225_c_a_b:Dy-In-Tl +mp-505747,TlIn5S6,-4.1757449308,-0.764098181,0.0,-0.0101425784,GGA,P2_1/m,A5B6C_mP24_11_5e_6e_e:In-S-Tl,24.0,A5B6C_mP24_11_5e_6e_e:In-S-Tl +mp-572596,TlIn3S5,-4.2880984156,-0.8103268966,0.0,-0.0016202925,GGA,C2/m,A3B5C_mC36_12_ac2i_5i_i:In-S-Tl,18.0,"Invalid WP multiplicities - A3B5C_mC36_12_ac3i_10i_i:In-S-Tl, expected Tl(In2S5)2 to be TlIn3S5" +mp-1100996,TlIn5S8,-4.3191134393,-0.8039233870000001,0.0151478656,0.0151478656,GGA,P1,A5B8C_aP14_1_5a_8a_a:In-S-Tl,14.0,A5B8C_aP14_1_5a_8a_a:In-S-Tl +mp-1216612,TlIn5S8,-4.3322566493,-0.8170665970000001,0.0020046556,0.0020046556,GGA,Cm,A5B8C_mC28_8_5a_8a_a:In-S-Tl,14.0,A5B8C_mC28_8_5a_8a_a:In-S-Tl +mp-562480,TlIn5S7,-4.2644648415,-0.7970640058,0.0,-0.00336494,GGA,P2_1/m,A5B7C_mP26_11_5e_7e_e:In-S-Tl,26.0,"Invalid WP multiplicities - A5B7C_mP26_11_9e_13e_e:In-S-Tl, expected TlIn9S13 to be TlIn5S7" +mp-1201054,Dy4In5S13,-5.38774078,-1.4804946764,0.0438297123,0.0438297123,GGA,Pbam,A4B5C13_oP44_55_2g_a2h_c2g4h:Dy-In-S,44.0,A4B5C13_oP44_55_2g_a2h_c2g4h:Dy-In-S +mp-632539,TlInS2,-3.76441232,-0.4176056674,0.3584703247,0.3179690802,GGA,P1,AB2C_aP4_1_a_2a_a:In-S-Tl,4.0,AB2C_aP4_1_a_2a_a:In-S-Tl +mp-690644,TlInS2,-3.5950712925,-0.2482646399,0.5278113522,0.4873101077,GGA,C2/m,AB2C_mC8_12_a_i_c:In-S-Tl,4.0,AB2C_mC8_12_a_i_c:In-S-Tl +mp-1179274,TlInS2,-3.66617865,-0.3193719974,0.4567039947,0.4162027502,GGA,C2/m,AB2C_mC8_12_a_i_c:In-S-Tl,4.0,AB2C_mC8_12_a_i_c:In-S-Tl +mp-865274,TlInS2,-4.1228826447,-0.7760759921,0.0,-0.0405012445,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:In-S-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:In-S-Tl +mp-1078621,TlInS2,-4.104391305,-0.7575846524000001,0.0184913397,-0.0220099048,GGA,I4/mcm,AB2C_tI16_140_b_h_a:In-S-Tl,8.0,AB2C_tI16_140_b_h_a:In-S-Tl +mp-22566,TlInS2,-4.10969353,-0.7628868774,0.0131891147,-0.0273121298,GGA,R-3m,AB2C_hR12_166_a_c_b:In-S-Tl,4.0,AB2C_hR12_166_a_c_b:In-S-Tl +mp-20042,TlInS2,-4.1103007975,-0.7634941449,0.0125818472,-0.0279193973,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:In-S-Tl,8.0,AB2C_hP8_194_a_f_c:In-S-Tl +mp-19237,Sr2MoO4,-7.5760512157,-2.7172809498,0.0179903479,0.0179903479,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Mo-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Mo-O-Sr +mp-4387,SrZrO3,-8.6784611755,-3.6630091321,0.0,-0.0329988562,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sr-Zr,20.0,A3BC_oP20_62_cd_c_a:O-Sr-Zr +mp-3626,SrZrO3,-8.670266024,-3.6548139806,0.0081951515,-0.0248037047,GGA,Cmcm,A3BC_oC40_63_efg_2c_d:O-Sr-Zr,20.0,A3BC_oC40_63_efg_2c_d:O-Sr-Zr +mp-1080575,SrZrO3,-8.672668996,-3.6572169526,0.0057921795,-0.0272066767,GGA,Imma,A3BC_oI20_74_eg_e_a:O-Sr-Zr,10.0,A3BC_oI20_74_eg_e_a:O-Sr-Zr +mp-1068742,SrZrO3,-8.63012045,-3.6146684066,0.0483407255,0.0153418693,GGA,P4mm,A3BC_tP5_99_ac_b_a:O-Sr-Zr,5.0,A3BC_tP5_99_ac_b_a:O-Sr-Zr +mp-1020622,SrZrO3,-8.658711245,-3.6432592016,0.0197499305,-0.0132489257,GGA,P4/mbm,A3BC_tP10_127_bg_c_a:O-Sr-Zr,10.0,A3BC_tP10_127_bg_c_a:O-Sr-Zr +mp-5076,SrZrO3,-8.665868154,-3.6504161106,0.0125930215,-0.0204058347,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:O-Sr-Zr,10.0,A3BC_tI20_140_ah_b_c:O-Sr-Zr +mp-557203,SrZrO3,-8.6237312163,-3.6082791728,0.0547299593,0.021731103,GGA,P2_13,A3BC_cP40_198_2b_2a_2a:O-Sr-Zr,40.0,"Invalid WP multiplicities - A3BC_cP40_198_11b_5a_4a:O-Sr-Zr, expected Sr5Zr4O33 to be SrZrO3" +mp-3323,SrZrO3,-8.623552264,-3.6081002206,0.0549089115,0.0219100553,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Zr,5.0,A3BC_cP5_221_c_a_b:O-Sr-Zr +mp-613402,SrZrO3,-6.161220496,-1.1457684526,2.5172406795,2.4842418233,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sr-Zr,5.0,A3BC_cP5_221_c_b_a:O-Sr-Zr +mp-627151,Zr(MoO4)2,-8.701268883600001,-2.3546770164,0.1123204964,0.0860145498,GGA+U,C2/m,A2B8C_mC22_12_i_2ij_a:Mo-O-Zr,11.0,"Invalid WP multiplicities - A2B8C_mC22_12_i_2i2j_a:Mo-O-Zr, expected Zr(MoO6)2 to be Zr(MoO4)2" +mp-1095622,Zr(MoO4)2,-8.7997748027,-2.4531829355,0.0138145773,-0.0124913693,GGA+U,C2/m,A2B8C_mC22_12_i_2ij_a:Mo-O-Zr,11.0,A2B8C_mC22_12_i_2ij_a:Mo-O-Zr +mp-559825,Zr(MoO4)2,-8.7895755655,-2.4429836982,0.0240138145,-0.002292132,GGA+U,C2/c,A2B8C_mC44_15_f_4f_e:Mo-O-Zr,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_16f_e:Mo-O-Zr, expected Zr(MoO16)2 to be Zr(MoO4)2" +mp-636731,Zr(MoO4)2,-8.8130639714,-2.4664721041,0.0005254086,-0.025780538,GGA+U,Pmn2_1,A2B8C_oP22_31_2a_4a2b_a:Mo-O-Zr,22.0,"Invalid WP multiplicities - A2B8C_oP22_31_3a_7a6b_a:Mo-O-Zr, expected ZrMo3O19 to be Zr(MoO4)2" +mp-704604,Zr(MoO4)2,-8.8047107726,-2.4581189053,0.0088786074,-0.0174273392,GGA+U,P-31c,A2B8C_hP66_163_i_4i_bf:Mo-O-Zr,66.0,"Invalid WP multiplicities - A2B8C_hP66_163_i_37i_b2f:Mo-O-Zr, expected Zr5(MoO37)6 to be Zr(MoO4)2" +mp-510456,Zr(MoO4)2,-8.81358938,-2.4669975127,0.0,-0.0263059466,GGA+U,P-3m1,A2B8C_hP11_164_d_di_a:Mo-O-Zr,11.0,A2B8C_hP11_164_d_di_a:Mo-O-Zr +mp-1208726,Sr3Mo2O7,-7.7534881492,-2.6379380193,0.0402573292,0.0402573292,GGA+U,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Mo-O-Sr,12.0,A2B7C3_tI24_139_e_aeg_be:Mo-O-Sr +mp-1542758,SrMoO3,-8.073330959,-2.5982890196,0.0,-0.0475144205,GGA+U,C2/m,AB3C_mC20_12_e_ghi_i:Mo-O-Sr,10.0,"Invalid WP multiplicities - AB3C_aP10_2_bc_4i_i:Mo-O-Sr, expected SrMoO4 to be SrMoO3" +mp-1078716,SrMoO3,-8.064238283,-2.5891963436000003,0.009092676,-0.0384217445,GGA+U,Imma,AB3C_oI20_74_a_eg_e:Mo-O-Sr,10.0,AB3C_oI20_74_a_eg_e:Mo-O-Sr +mp-1187247,SrMoO3,-8.033093229,-2.5580512896,0.04023773,-0.0072766905,GGA+U,I4/mcm,AB3C_tI20_140_c_ah_b:Mo-O-Sr,10.0,AB3C_tI20_140_c_ah_b:Mo-O-Sr +mp-18747,SrMoO3,-7.989233434,-2.5141914946,0.084097525,0.0365831045,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mo-O-Sr,5.0,AB3C_cP5_221_b_c_a:Mo-O-Sr +mp-27690,Sr3Zr2O7,-8.2592003908,-3.5266418409,0.0388202679,0.0388202679,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:O-Sr-Zr,12.0,A7B3C2_tI24_139_aeg_be_e:O-Sr-Zr +mp-1208650,SrMoO2,-7.6040461794,-1.9969159329,0.3964464525,0.3964464525,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Mo-O-Sr,16.0,AB2C_tI32_141_c_h_d:Mo-O-Sr +mp-1025349,Sr2ZrO4,-7.9917027486,-3.4612109798,0.0345746839,0.0345746839,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Sr-Zr,7.0,A4B2C_tI14_139_ce_e_a:O-Sr-Zr +mp-1207427,Zr9Mo4O3,-9.1605754053,-0.7135771401000001,0.4748246261,0.4748246261,GGA+U,P6_3/mmc,A4B3C9_hP32_194_ah_g_hk:Mo-O-Zr,32.0,A4B3C9_hP32_194_ah_g_hk:Mo-O-Zr +mp-770419,Sr2Zr7O16,-9.4555773368,-3.7611809089,0.0,-0.0072976856,GGA,R-3,A16B2C7_hR75_148_2c2f_c_af:O-Sr-Zr,25.0,"Invalid WP multiplicities - A16B2C7_hR75_148_4c8f_c_a2f:O-Sr-Zr, expected Sr2Zr13O56 to be Sr2Zr7O16" +mp-1208748,Sr4Zr3O10,-8.4071931965,-3.5914306779,0.0027217319,0.0027217319,GGA,Pbca,A10B4C3_oP68_61_5c_2c_ac:O-Sr-Zr,68.0,A10B4C3_oP68_61_5c_2c_ac:O-Sr-Zr +mp-15096,SrMo5O8,-8.5875384316,-1.7667345964,0.2446561521,0.2446561521,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Mo-O-Sr,56.0,"Invalid WP multiplicities - A5B8C_mP56_14_7e_8e_e:Mo-O-Sr, expected SrMo7O8 to be SrMo5O8" +mp-1204294,ZrMo2O11,-7.5838507886,-1.537238169,0.4011170196,0.4011170196,GGA+U,I4_1cd,A2B11C_tI112_110_b_a5b_a:Mo-O-Zr,56.0,A2B11C_tI112_110_b_a5b_a:Mo-O-Zr +mp-1179149,SrMoO4,-8.052283885,-2.6653008169,0.0009096275,-0.2978979343,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Mo-O-Sr,12.0,AB4C_tI24_88_a_f_b:Mo-O-Sr +mp-18834,SrMoO4,-8.0531935125,-2.6662104444,0.0,-0.2988075618,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Mo-O-Sr,12.0,AB4C_tI24_88_a_f_b:Mo-O-Sr +mp-1218217,Sr2ZrMoO6,-8.312728563,-3.0674815716,0.0631675042,0.0631675042,GGA+U,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Mo-O-Sr-Zr,10.0,"Invalid WP multiplicities - AB6C2D_tP10_123_a_2e2fg_h_b:Mo-O-Sr-Zr, expected Sr2ZrMoO10 to be Sr2ZrMoO6" +mp-1205668,Sr3MoO6,-7.280330525,-2.7209042512,0.1099128125,0.1099128125,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Mo-O-Sr,10.0,AB6C3_cF40_225_a_e_bc:Mo-O-Sr +mp-1183991,Eu(Mg4Al3)4,-2.847605489,-0.0611091938,0.010931948,0.010931948,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Eu-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c4g:Al-Eu-Mg, expected Eu(Mg16Al3)4 to be Eu(Mg4Al3)4" +mp-1212749,EuAl12O19,-8.0919125919,-3.4296939271,0.0,-0.0043518407,GGA,P6_3mc,A12BC19_hP64_186_2a4b2c_b_2a2b5c:Al-Eu-O,64.0,A12BC19_hP64_186_2a4b2c_b_2a2b5c:Al-Eu-O +mp-1019729,Eu3AlO5,-9.9202935539,-3.3369574665,0.0,-0.0286667478,GGA,I4/mcm,AB3C5_tI36_140_b_ah_cl:Al-Eu-O,18.0,AB3C5_tI36_140_b_ah_cl:Al-Eu-O +mp-1212582,Eu2Al3O8,-8.6818261358,-3.1953460758,0.0697156937,0.0697156937,GGA,I-43m,A3B2C8_cI52_217_d_c_cg:Al-Eu-O,26.0,A3B2C8_cI52_217_d_c_cg:Al-Eu-O +mp-21455,EuAlO3,-9.0998939205,-3.3313651678,0.0,-0.0010371702,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Eu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_2c2d:Al-Eu-O, expected EuAlO6 to be EuAlO3" +mp-973892,EuAlO3,-9.0909795,-3.3224507473,0.0089144205,0.0078772503,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Eu-O,5.0,ABC3_cP5_221_b_a_c:Al-Eu-O +mp-582606,Eu4Al2O9,-8.5702501628,-2.3676263454,0.9150072574,0.9150072574,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Eu-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_3e_15e_30e:Al-Eu-O, expected Eu5AlO10 to be Eu4Al2O9" +mp-685394,Eu2Al42O65,-7.8711048791,-3.2897933682,0.1389181789,0.1389181789,GGA,P1,A42B2C65_aP109_1_42a_2a_65a:Al-Eu-O,109.0,A42B2C65_aP109_1_42a_2a_65a:Al-Eu-O +mp-1212916,Eu3Al2O7,-9.4667107067,-3.3926292034,0.0,-0.0591669236,GGA,I4/mmm,A2B3C7_tI24_139_e_ae_beg:Al-Eu-O,12.0,A2B3C7_tI24_139_e_ae_beg:Al-Eu-O +mp-21757,Eu3Al5O12,-8.7944054213,-3.351447967,0.0153638811,0.0153638811,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Eu-O,80.0,A5B3C12_cI160_230_ad_c_h:Al-Eu-O +mp-1019732,EuAl2O4,-8.7804279232,-3.4182981654,0.0,-0.0576709473,GGA,P2_1,A2BC4_mP28_4_4a_2a_8a:Al-Eu-O,28.0,A2BC4_mP28_4_4a_2a_8a:Al-Eu-O +mp-1227018,EuMgAl11O19,-7.9453208809,-3.3501427093,0.0539280228,0.0539280228,GGA,P-3m1,A11BCD19_hP64_164_abc3d2i_d_d_2c2d5i:Al-Eu-Mg-O,64.0,A11BCD19_hP64_164_abc3d2i_d_d_2c2d5i:Al-Eu-Mg-O +mp-861959,Eu2Al2O5,-9.1353162078,-3.2754718949,0.0808964003,0.0808964003,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Al-Eu-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Al-Eu-O, expected Eu2Al2O9 to be Eu2Al2O5" +mp-771815,Eu2Al4O9,-8.634787736,-3.3003540479,0.0765756749,0.0765756749,GGA,Pbam,A4B2C9_oP30_55_fg_h_aghi:Al-Eu-O,30.0,"Invalid WP multiplicities - A4B2C9_oP30_55_2f2g_h_2a4g2h4i:Al-Eu-O, expected EuAl4O15 to be Eu2Al4O9" +mp-972931,EuMgO3,-7.882311952,-2.5428423553,0.271359001,0.271359001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Mg-O,5.0,ABC3_cP5_221_a_b_c:Eu-Mg-O +mp-1212147,HfTlCdF7,-5.9445003105000005,-3.2821928396,0.0,-0.028159614,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_c_a:Cd-F-Hf-Tl,20.0,AB7CD_oC40_63_c_cf2g_c_a:Cd-F-Hf-Tl +mp-998623,TlCdF3,-4.09466794,-2.2906739782,0.0087973123,-0.0155218485,GGA,Cm,AB3C_mC10_8_a_ab_a:Cd-F-Tl,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Cd-F-Tl, expected TlCdF5 to be TlCdF3" +mp-998759,TlCdF3,-4.1034652522,-2.2994712904,0.0,-0.0243191607,GGA,Pbam,AB3C_oP40_55_i_efghi_gh:Cd-F-Tl,40.0,AB3C_oP40_55_i_efghi_gh:Cd-F-Tl +mp-1412222,TlCdF3,-4.094563176,-2.2905692142,0.0089020763,-0.0154170845,GGA,R3m,AB3C_hR15_160_a_b_a:Cd-F-Tl,5.0,AB3C_hR15_160_a_b_a:Cd-F-Tl +mp-1212176,HfTlF5,-6.7107736364,-3.5854554915,0.0,-0.075545652,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Hf-Tl,28.0,A5BC_mP28_14_5e_e_e:F-Hf-Tl +mp-1206567,Ba2ScPaO6,-8.702678197000001,-3.7661566058,0.0,-0.205920801,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Sc +mp-1219240,ScPaO4,-9.9898552067,-4.0508737717,0.0,-0.3587804493,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Sc,6.0,A4BC_tP6_123_i_a_d:O-Pa-Sc +mp-1173305,ScPaO4,-9.989455525,-4.05047409,0.0003996817,-0.3583807676,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Sc,12.0,A4BC_tI24_141_f_a_b:O-Pa-Sc +mp-27385,KTlCl4,-3.36018377,-1.5489856477,0.0,-0.0451185817,GGA,I4_1/a,A4BC_tI24_88_f_a_b:Cl-K-Tl,12.0,A4BC_tI24_88_f_a_b:Cl-K-Tl +mp-1111660,K2LiTlCl6,-3.529805444,-1.7714470573,0.0369760365,0.0369760365,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tl +mp-1111328,K3TlCl6,-3.448142846,-1.7696368512,0.063048234,0.063048234,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Tl,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Tl +mp-1184918,K3Li,-1.1875260375,0.1225038894,0.1225038894,0.1225038894,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Li,4.0,A3B_tI8_139_ad_b:K-Li +mp-1184845,K3Li,-1.1924348825,0.1175950444,0.1175950444,0.1175950444,GGA,Pm-3m,A3B_cP4_221_c_a:K-Li,4.0,A3B_cP4_221_c_a:K-Li +mp-1184876,K3Li,-1.1967250725,0.1133048544,0.1133048544,0.1133048544,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Li,4.0,A3B_cF16_225_ac_b:K-Li +mp-1111296,KTlCl3,-3.391741491,-1.5880110763,0.0583490064,0.0583490064,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:Cl-K-Tl,10.0,A3BC_cF40_225_e_c_ab:Cl-K-Tl +mp-1185026,KLi3,-1.530859375,0.1784325118,0.1784325118,0.1784325118,GGA,I4/mmm,AB3_tI8_139_a_bd:K-Li,4.0,AB3_tI8_139_a_bd:K-Li +mp-1184961,KLi3,-1.5252947825,0.1839971042,0.1839971042,0.1839971042,GGA,Fm-3m,AB3_cF16_225_a_bc:K-Li,4.0,AB3_cF16_225_a_bc:K-Li +mp-1211405,KTlCl2,-3.5844995381,-1.7919706847,0.0,-0.0008524931,GGA,Fd-3m,A2BC_cF64_227_e_c_d:Cl-K-Tl,16.0,A2BC_cF64_227_e_c_d:Cl-K-Tl +mp-1206344,MnAgF3,-4.889051758,-1.3432501184,0.931364924,0.931364924,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ag-F-Mn,5.0,AB3C_cP5_221_b_c_a:Ag-F-Mn +mp-831158,Li4MnF6,-5.6461494897,-3.0764603475,0.0355895867,0.0355895867,GGA+U,P-3m1,A6B4C_hP33_164_3i_gh_ad:F-Li-Mn,33.0,"Invalid WP multiplicities - A6B4C_hP33_164_15i_5g6h_ad:F-Li-Mn, expected Li22MnF30 to be Li4MnF6" +mp-763784,LiMn2F6,-6.4022291944,-2.8798039438,0.0658359119,0.0658359119,GGA+U,C2,A6BC2_mC18_5_3c_a_2b:F-Li-Mn,9.0,"Invalid WP multiplicities - A6BC2_mC18_5_5c_a_2b:F-Li-Mn, expected LiMn2F10 to be LiMn2F6" +mp-759499,LiMn2F6,-6.3783088633,-2.8558836127,0.0897562431,0.0897562431,GGA+U,C2/m,A6BC2_mC18_12_ij_a_h:F-Li-Mn,9.0,"Invalid WP multiplicities - A6BC2_mC18_12_2i2j_a_h:F-Li-Mn, expected LiMn2F12 to be LiMn2F6" +mp-767304,LiMn2F6,-6.4486923894,-2.9262671388,0.0193727169,0.0193727169,GGA+U,P2_1/c,A6BC2_mP18_14_3e_a_e:F-Li-Mn,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_11e_a_e:F-Li-Mn, expected LiMn2F22 to be LiMn2F6" +mp-757118,LiMn2F6,-6.4444889406,-2.9220636899,0.0235761658,0.0235761658,GGA+U,P4_2/mnm,A6BC2_tP18_136_fj_a_e:F-Li-Mn,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_3f2j_a_e:F-Li-Mn, expected LiMn2F14 to be LiMn2F6" +mp-757174,LiMn2F6,-6.4540901422,-2.9316648916,0.0139749642,0.0139749642,GGA+U,P321,A6BC2_hP27_150_3g_ad_ef:F-Li-Mn,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_14g_a2d_3e2f:F-Li-Mn, expected Li5Mn15F84 to be LiMn2F6" +mp-859118,LiAgF6,-3.5427884216,-1.5164943372000002,0.0,-0.0209673721,GGA,Ia-3,AB6C_cI64_206_a_e_b:Ag-F-Li,32.0,AB6C_cI64_206_a_e_b:Ag-F-Li +mp-764892,Li2Mn5F17,-6.1765937079,-2.7547993479,0.0956533931,0.0956533931,GGA+U,Cmcm,A17B2C5_oC192_63_2c4f2g5h_acf_g2h:F-Li-Mn,96.0,"Invalid WP multiplicities - A17B2C5_oC192_63_4c14f8g19h_a2c2f_3g6h:F-Li-Mn, expected Li7Mn30F124 to be Li2Mn5F17" +mp-1177965,Li2Mn3F8,-6.5888626123,-3.0045762008,0.0245588662,0.0245588662,GGA+U,P-1,A8B2C3_aP13_2_4i_i_ai:F-Li-Mn,13.0,"Invalid WP multiplicities - A8B2C3_aP13_2_7i_i_ai:F-Li-Mn, expected Li2Mn3F14 to be Li2Mn3F8" +mp-752769,Li2Mn3F8,-6.5575019169,-2.9732155054,0.0559195615,0.0559195615,GGA+U,P2_1/c,A8B2C3_mP26_14_4e_e_ae:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_mP26_14_13e_e_2a2e:F-Li-Mn, expected LiMn3F13 to be Li2Mn3F8" +mp-752841,Li2Mn3F8,-6.5528584058,-2.9685719943,0.0605630727,0.0605630727,GGA+U,P2_1/c,A8B2C3_mP26_14_4e_e_ae:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_mP26_14_15e_e_2a2e:F-Li-Mn, expected LiMn3F15 to be Li2Mn3F8" +mp-759170,Li2Mn3F8,-6.5811686396,-2.9968822281,0.0322528388,0.0322528388,GGA+U,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:F-Li-Mn,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_31e_3e_9e:F-Li-Mn, expected Li3Mn9F31 to be Li2Mn3F8" +mp-759052,Li2Mn3F8,-6.53546157,-2.9511751585,0.0779599085,0.0779599085,GGA+U,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:F-Li-Mn,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_31e_3e_5e:F-Li-Mn, expected Li3Mn5F31 to be Li2Mn3F8" +mp-775265,Li2Mn3F8,-6.5540562292,-2.9697698177,0.0593652492,0.0593652492,GGA+U,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:F-Li-Mn,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_19e_3e_5e:F-Li-Mn, expected Li3Mn5F19 to be Li2Mn3F8" +mp-777348,Li2Mn3F8,-6.5273870581,-2.9431006466,0.0860344204,0.0860344204,GGA+U,C2/c,A8B2C3_mC52_15_4f_f_ef:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_mC52_15_7f_f_ef:F-Li-Mn, expected Li2Mn3F14 to be Li2Mn3F8" +mp-776105,Li2Mn3F8,-6.5218692523,-2.9375828408,0.0915522262,0.0915522262,GGA+U,Pmn2_1,A8B2C3_oP26_31_4a2b_2a_ab:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_oP26_31_7a4b_3a_a2b:F-Li-Mn, expected Li3Mn5F15 to be Li2Mn3F8" +mp-765343,Li2Mn3F8,-6.5550154112,-2.9707289997,0.0584060673,0.0584060673,GGA+U,Pnnm,A8B2C3_oP26_58_2gh_g_af:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_oP26_58_5g4h_g_a2f:F-Li-Mn, expected Li2Mn5F26 to be Li2Mn3F8" +mp-764905,Li2Mn3F8,-6.5740194862,-2.9897330747,0.0394019923,0.0394019923,GGA+U,Cmce,A8B2C3_oC52_64_2fg_f_ae:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_oC52_64_6f3g_f_2a3e:F-Li-Mn, expected LiMn4F12 to be Li2Mn3F8" +mp-775259,Li2Mn3F8,-6.5592058027,-2.9749193912000003,0.0542156758,0.0542156758,GGA+U,I4_1/a,A8B2C3_tI104_88_4f_f_abf:F-Li-Mn,52.0,"Invalid WP multiplicities - A8B2C3_tI104_88_21f_f_2a2b3f:F-Li-Mn, expected LiMn4F21 to be Li2Mn3F8" +mp-769630,Li2Mn3F8,-6.5218514469,-2.9375650354,0.0915700315,0.0915700315,GGA+U,R-3m,A8B2C3_hR39_166_ch_c_d:F-Li-Mn,13.0,"Invalid WP multiplicities - A8B2C3_hR39_166_c2h_c_d:F-Li-Mn, expected Li2Mn3F14 to be Li2Mn3F8" +mp-763793,Li2Mn3F8,-6.555766915,-2.9714805035,0.0576545635,0.0576545635,GGA+U,P6_3mc,A8B2C3_hP26_186_ab2c_2b_c:F-Li-Mn,26.0,"Invalid WP multiplicities - A8B2C3_hP26_186_a2b9c_4b_c:F-Li-Mn, expected Li4Mn3F30 to be Li2Mn3F8" +mp-774361,Li2Mn3F8,-6.5822306444,-2.9979442329,0.031190834,0.031190834,GGA+U,P4_332,A8B2C3_cP52_212_ce_c_d:F-Li-Mn,52.0,"Invalid WP multiplicities - A8B2C3_cP52_212_8c8e_c_d:F-Li-Mn, expected Li2Mn3F64 to be Li2Mn3F8" +mp-777562,Li10Mn3F16,-5.7145835048,-3.0539304696,0.0506857179,0.0506857179,GGA+U,R-3m,A16B10C3_hR87_166_2c2h_adh_bc:F-Li-Mn,29.0,"Invalid WP multiplicities - A16B10C3_hR87_166_3c8h_a3d4h_b2c:F-Li-Mn, expected Li34Mn5F54 to be Li10Mn3F16" +mp-757915,LiAgF3,-4.154393917,-2.0592107625,0.071212968,0.071212968,GGA,P-1,AB3C_aP10_2_i_3i_i:Ag-F-Li,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Ag-F-Li, expected LiAgF5 to be LiAgF3" +mp-1398557,LiAgF3,-3.3030061440000003,-1.2078229895,0.922600741,0.922600741,GGA,P-1,AB3C_aP10_2_i_3i_i:Ag-F-Li,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Ag-F-Li, expected LiAgF5 to be LiAgF3" +mp-752837,LiAgF3,-4.1754141885,-2.080231034,0.0501926965,0.0501926965,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Ag-F-Li,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2ab_11e_e:Ag-F-Li, expected Li2Ag3F22 to be LiAgF3" +mp-756821,LiAgF3,-4.1527633185,-2.057580164,0.0728435665,0.0728435665,GGA,P2_1/c,AB3C_mP20_14_e_3e_ad:Ag-F-Li,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_2ab:Ag-F-Li, expected Li3Ag2F18 to be LiAgF3" +mp-752605,LiAgF3,-4.174558318,-2.0793751635,0.051048567,0.051048567,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Ag-F-Li,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_11f_f:Ag-F-Li, expected Li2Ag3F22 to be LiAgF3" +mp-752699,LiAgF3,-4.176382158,-2.0811990035,0.049224727,0.049224727,GGA,Cmmm,AB3C_oC20_65_ab_hp_f:Ag-F-Li,10.0,"Invalid WP multiplicities - AB3C_oC20_65_ab_2hp_f:Ag-F-Li, expected LiAgF4 to be LiAgF3" +mp-759066,LiAgF3,-4.165693481,-2.0705103265,0.059913404,0.059913404,GGA,R3c,AB3C_hR30_161_a_b_a:Ag-F-Li,10.0,AB3C_hR30_161_a_b_a:Ag-F-Li +mp-760151,LiAgF3,-4.169314986,-2.0741318315,0.056291899,0.056291899,GGA,P6_122,AB3C_hP30_178_b_ac_b:Ag-F-Li,30.0,"Invalid WP multiplicities - AB3C_hP30_178_b_3a3c_b:Ag-F-Li, expected LiAgF9 to be LiAgF3" +mp-760819,LiAg2F6,-3.8538239939,-1.7379452519,0.0671919722,0.0671919722,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ag-F-Li,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_7e_21e_e:Ag-F-Li, expected LiAg7F21 to be LiAg2F6" +mp-753881,LiAg2F6,-3.8784924617,-1.7626137196,0.0425235044,0.0425235044,GGA,P-42_1m,A2B6C_tP18_113_2c_3e_c:Ag-F-Li,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Ag-F-Li, expected LiAg2F16 to be LiAg2F6" +mp-765566,LiAg2F6,-3.8971549259,-1.7812761839,0.0238610402,0.0238610402,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Ag-F-Li,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_2e3f_14g_a2d:Ag-F-Li, expected Li5Ag15F84 to be LiAg2F6" +mp-753326,LiAg2F6,-3.8694175389,-1.7535387969,0.0515984272,0.0515984272,GGA,P321,A2B6C_hP9_150_d_ef_a:Ag-F-Li,9.0,"Invalid WP multiplicities - A2B6C_hP9_150_d_2e2f_a:Ag-F-Li, expected LiAg2F12 to be LiAg2F6" +mp-1111362,Li2MnAgF6,-5.037707996,-2.3095789126,0.335812251,0.335812251,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Li-Mn,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Li-Mn +mp-850930,Li3MnF5,-5.7684616435,-3.0522195624,0.0478537799,0.0478537799,GGA+U,P1,A5B3C_aP72_1_40a_24a_8a:F-Li-Mn,72.0,A5B3C_aP72_1_40a_24a_8a:F-Li-Mn +mp-761161,Li3MnF5,-5.7667635933,-3.0505215123,0.04955183,0.04955183,GGA+U,P-1,A5B3C_aP18_2_5i_3i_be:F-Li-Mn,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_10i_5i_be:F-Li-Mn, expected Li5MnF10 to be Li3MnF5" +mp-779355,Li3MnF5,-5.7126777492,-2.9964356681,0.1036376742,0.1036376742,GGA+U,P2_12_12_1,A5B3C_oP36_19_5a_3a_a:F-Li-Mn,36.0,"Invalid WP multiplicities - A5B3C_oP36_19_17a_9a_a:F-Li-Mn, expected Li9MnF17 to be Li3MnF5" +mp-759420,Li3MnF5,-5.76946899,-3.0532269089,0.0468464333,0.0468464333,GGA+U,Pnma,A5B3C_oP36_62_3cd_cd_c:F-Li-Mn,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_11c2d_2c3d_c:F-Li-Mn, expected Li8MnF15 to be Li3MnF5" +mp-759158,Li3MnF5,-5.7332799742,-3.0170378931,0.0830354492,0.0830354492,GGA+U,Pnma,A5B3C_oP36_62_3cd_cd_c:F-Li-Mn,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_9c4d_3c2d_c:F-Li-Mn, expected Li7MnF17 to be Li3MnF5" +mp-760253,Li3MnF5,-5.7154373028,-2.9991952217,0.1008781206,0.1008781206,GGA+U,P4_1,A5B3C_tP36_76_5a_3a_a:F-Li-Mn,36.0,"Invalid WP multiplicities - A5B3C_tP36_76_17a_11a_a:F-Li-Mn, expected Li11MnF17 to be Li3MnF5" +mp-779269,LiMnF5,-5.582007241,-2.6351025272,0.0651405623,0.0651405623,GGA+U,P-1,A5BC_aP42_2_15i_3i_3i:F-Li-Mn,42.0,"Invalid WP multiplicities - A5BC_aP42_2_29i_5i_5i:F-Li-Mn, expected Li5Mn5F29 to be LiMnF5" +mp-1386790,LiMnF5,-2.7923542543,0.1545504595,2.854793549,2.854793549,GGA+U,P-1,A5BC_aP14_2_5i_i_be:F-Li-Mn,14.0,"Invalid WP multiplicities - A5BC_aP14_2_10i_i_be:F-Li-Mn, expected LiMnF10 to be LiMnF5" +mp-777609,LiMnF5,-5.5815677746,-2.6346630609,0.0655800286,0.0655800286,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_mP28_14_17e_e_e:F-Li-Mn, expected LiMnF17 to be LiMnF5" +mp-1176620,LiMnF5,-5.6326274696,-2.6857227559,0.0145203336,0.0145203336,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_mC28_15_4e15f_e_c:F-Li-Mn, expected LiMnF34 to be LiMnF5" +mp-767597,LiMnF5,-5.6237594293,-2.6768547155,0.023388374,0.023388374,GGA+U,P2_12_12_1,A5BC_oP28_19_5a_a_a:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_oP28_19_17a_a_a:F-Li-Mn, expected LiMnF17 to be LiMnF5" +mp-764980,LiMnF5,-5.6144187632,-2.6675140495000003,0.0327290401,0.0327290401,GGA+U,P2_12_12_1,A5BC_oP28_19_5a_a_a:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_oP28_19_17a_a_a:F-Li-Mn, expected LiMnF17 to be LiMnF5" +mp-767588,LiMnF5,-5.6255971514,-2.6786924377,0.0215506518,0.0215506518,GGA+U,Pmmn,A5BC_oP14_59_aef_b_a:F-Li-Mn,14.0,"Invalid WP multiplicities - A5BC_oP14_59_2a2ef_b_a:F-Li-Mn, expected LiMnF8 to be LiMnF5" +mp-1176619,LiMnF5,-5.627324325,-2.6804196113,0.0198234783,0.0198234783,GGA+U,Pnma,A5BC_oP28_62_3cd_c_c:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_oP28_62_11c2d_c_c:F-Li-Mn, expected LiMnF15 to be LiMnF5" +mp-764354,LiMnF5,-5.5546435668,-2.607738853,0.0925042365,0.0925042365,GGA+U,P4_1,A5BC_tP28_76_5a_a_a:F-Li-Mn,28.0,"Invalid WP multiplicities - A5BC_tP28_76_19a_a_a:F-Li-Mn, expected LiMnF19 to be LiMnF5" +mp-761149,LiMnF5,-5.6240021152,-2.6770974014,0.0231456881,0.0231456881,GGA+U,I4_1/a,A5BC_tI112_88_5f_f_f:F-Li-Mn,56.0,"Invalid WP multiplicities - A5BC_tI112_88_23f_f_f:F-Li-Mn, expected LiMnF23 to be LiMnF5" +mp-753209,LiAgF4,-3.9868954167,-1.9223296267,0.0653379667,0.012538794,GGA,P2/m,AB4C_mP6_10_c_mn_e:Ag-F-Li,6.0,"Invalid WP multiplicities - AB4C_mP6_10_a_2mn_e:Ag-F-Li, expected LiAgF6 to be LiAgF4" +mp-765339,LiAgF4,-3.9577886983,-1.8932229083,0.094444685,0.0416455124,GGA,P2_1/m,AB4C_mP24_11_ad_2e3f_2e:Ag-F-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_11_ac_4e5f_3e:Ag-F-Li, expected Li3Ag2F14 to be LiAgF4" +mp-861245,LiAgF4,-4.0474106583,-1.9828448683,0.004822725,-0.0479764476,GGA,C2/m,AB4C_mC12_12_a_gi_d:Ag-F-Li,6.0,"Invalid WP multiplicities - AB4C_mC12_12_a_g2i_d:Ag-F-Li, expected LiAgF6 to be LiAgF4" +mp-765191,LiAgF4,-3.9864094696,-1.9218436796,0.0658239138,0.0130247411,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ag-F-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ag-F-Li, expected LiAgF11 to be LiAgF4" +mp-761914,LiAgF4,-4.0412190108,-1.9766532208,0.0110143725,-0.0417848001,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Ag-F-Li,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_3e_d:Ag-F-Li, expected LiAgF6 to be LiAgF4" +mp-753383,LiAgF4,-4.0150780604,-1.9505122704,0.0371553229,-0.0156438497,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ag-F-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Ag-F-Li, expected LiAgF13 to be LiAgF4" +mp-758054,LiAgF4,-4.0128852383,-1.9483194483,0.039348145,-0.0134510276,GGA,C2/c,AB4C_mC24_15_c_2f_e:Ag-F-Li,12.0,"Invalid WP multiplicities - AB4C_mC24_15_a_5f_e:Ag-F-Li, expected LiAgF10 to be LiAgF4" +mp-765559,LiAgF4,-4.0522333833,-1.9876675933,0.0,-0.0527991726,GGA,C2/c,AB4C_mC24_15_c_2f_e:Ag-F-Li,12.0,"Invalid WP multiplicities - AB4C_mC24_15_a_7f_e:Ag-F-Li, expected LiAgF14 to be LiAgF4" +mp-752460,LiAgF4,-4.0403012579,-1.9757354679,0.0119321254,-0.0408670472,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ag-F-Li,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Ag-F-Li, expected LiAgF10 to be LiAgF4" +mp-752768,LiAgF4,-4.016495625,-1.951929835,0.0357377583,-0.0170614143,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Ag-F-Li,12.0,AB4C_tI24_140_d_l_a:Ag-F-Li +mp-774371,Li4Mn3F10,-6.1682029124,-2.9778189701,0.0835065747,0.0835065747,GGA+U,P-1,A10B4C3_aP17_2_ac4i_2i_bi:F-Li-Mn,17.0,"Invalid WP multiplicities - A10B4C3_aP17_2_ac7i_3i_b2i:F-Li-Mn, expected Li6Mn5F16 to be Li4Mn3F10" +mp-778703,Li4Mn3F10,-6.1532685379,-2.9628845957000003,0.0984409491,0.0984409491,GGA+U,C2/c,A10B4C3_mC68_15_5f_2ef_ef:F-Li-Mn,34.0,"Invalid WP multiplicities - A10B4C3_mC68_15_9f_3e2f_e2f:F-Li-Mn, expected Li7Mn5F18 to be Li4Mn3F10" +mp-759565,Li4Mn3F10,-6.2109711112,-3.0205871689,0.0407383759,0.0407383759,GGA+U,Pbca,A10B4C3_oP68_61_5c_2c_ac:F-Li-Mn,68.0,"Invalid WP multiplicities - A10B4C3_oP68_61_17c_5c_2a2c:F-Li-Mn, expected Li5Mn3F17 to be Li4Mn3F10" +mp-767065,LiMn3F10,-6.2494098654,-2.7844271212,0.0540482445,0.0540482445,GGA+U,P-1,A10BC3_aP28_2_ad9i_i_3i:F-Li-Mn,28.0,"Invalid WP multiplicities - A10BC3_aP28_2_ad18i_i_6i:F-Li-Mn, expected LiMn6F19 to be LiMn3F10" +mp-757872,Li2Ag3F6,-4.0868480755,-1.9246310256,0.0681120005,0.0681120005,GGA,C2/m,A3B6C2_mC22_12_ai_ij_i:Ag-F-Li,11.0,"Invalid WP multiplicities - A3B6C2_mC22_12_ai_2i3j_i:Ag-F-Li, expected Li2Ag3F16 to be Li2Ag3F6" +mp-760180,LiMn2F7,-6.1294728136,-2.7681421913,0.0990788751,0.0990788751,GGA+U,P1,A7BC2_aP80_1_56a_8a_16a:F-Li-Mn,80.0,A7BC2_aP80_1_56a_8a_16a:F-Li-Mn +mp-753253,LiMn2F7,-6.162303006,-2.8009723837,0.0662486827,0.0662486827,GGA+U,P-1,A7BC2_aP20_2_7i_i_2i:F-Li-Mn,20.0,"Invalid WP multiplicities - A7BC2_aP20_2_13i_i_3i:F-Li-Mn, expected LiMn3F13 to be LiMn2F7" +mp-753592,LiMn2F7,-6.1385303835,-2.7771997612,0.0900213052,0.0900213052,GGA+U,P-1,A7BC2_aP20_2_7i_i_2i:F-Li-Mn,20.0,"Invalid WP multiplicities - A7BC2_aP20_2_13i_i_3i:F-Li-Mn, expected LiMn3F13 to be LiMn2F7" +mp-759929,LiMn2F7,-6.1944786208,-2.8331479984,0.034073068,0.034073068,GGA+U,P2_1,A7BC2_mP40_4_14a_2a_4a:F-Li-Mn,40.0,"Invalid WP multiplicities - A7BC2_mP40_4_27a_3a_7a:F-Li-Mn, expected Li3Mn7F27 to be LiMn2F7" +mp-753503,LiMn2F7,-6.165508067,-2.8041774447,0.0630436217,0.0630436217,GGA+U,Cc,A7BC2_mC40_9_7a_a_2a:F-Li-Mn,20.0,"Invalid WP multiplicities - A7BC2_mC40_9_12a_a_4a:F-Li-Mn, expected LiMn4F12 to be LiMn2F7" +mp-752545,LiMn2F7,-6.1575120855,-2.7961814632,0.0710396032,0.0710396032,GGA+U,P2/c,A7BC2_mP20_13_e3g_f_g:F-Li-Mn,20.0,"Invalid WP multiplicities - A7BC2_mP20_13_e5g_f_g:F-Li-Mn, expected LiMn2F11 to be LiMn2F7" +mp-759527,LiMn2F7,-6.1536729902,-2.7923423679,0.0748786985,0.0748786985,GGA+U,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_19e_e_3e:F-Li-Mn, expected LiMn3F19 to be LiMn2F7" +mp-759111,LiMn2F7,-6.207244761,-2.8459141387,0.0213069277,0.0213069277,GGA+U,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_23e_e_3e:F-Li-Mn, expected LiMn3F23 to be LiMn2F7" +mp-1176671,LiMn2F7,-6.1578114922000005,-2.7964808699,0.0707401965,0.0707401965,GGA+U,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_27e_e_5e:F-Li-Mn, expected LiMn5F27 to be LiMn2F7" +mp-763425,LiMn2F7,-6.213228938,-2.8518983157,0.0153227507,0.0153227507,GGA+U,C2/c,A7BC2_mC40_15_e3f_c_f:F-Li-Mn,20.0,"Invalid WP multiplicities - A7BC2_mC40_15_e5f_a_f:F-Li-Mn, expected LiMn2F11 to be LiMn2F7" +mp-756952,Li4MnF8,-5.3833387938,-2.9149127555,0.0447043741,0.0447043741,GGA+U,P2,A8B4C_mP13_3_4e_a2bc_a:F-Li-Mn,13.0,"Invalid WP multiplicities - A8B4C_mP13_3_8e_a2bc_c:F-Li-Mn, expected Li4MnF16 to be Li4MnF8" +mp-765258,Li4MnF8,-5.3316663715,-2.8632403332000003,0.0963767964,0.0963767964,GGA+U,I4/mmm,A8B4C_tI26_139_deh_f_a:F-Li-Mn,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_2d2eh_f_a:F-Li-Mn, expected Li4MnF12 to be Li4MnF8" +mp-755600,Li4MnF7,-5.5437899071,-3.0289516128,0.0251823296,0.0251823296,GGA+U,P-1,A7B4C_aP24_2_7i_4i_ab:F-Li-Mn,24.0,"Invalid WP multiplicities - A7B4C_aP24_2_13i_7i_ab:F-Li-Mn, expected Li7MnF13 to be Li4MnF7" +mp-753997,Li4MnF7,-5.5183087146,-3.0034704203,0.0506635221,0.0506635221,GGA+U,C2/c,A7B4C_mC48_15_e3f_2f_e:F-Li-Mn,24.0,"Invalid WP multiplicities - A7B4C_mC48_15_e6f_3f_e:F-Li-Mn, expected Li6MnF13 to be Li4MnF7" +mp-759476,Li4MnF7,-5.5275630142,-3.0127247199,0.0414092225,0.0414092225,GGA+U,F-43m,A7B4C_cF48_216_cf_e_a:F-Li-Mn,12.0,A7B4C_cF48_216_cf_e_a:F-Li-Mn +mp-759954,Li3Mn5F15,-6.401414557,-2.9140654451,0.0557855377,0.0557855377,GGA+U,P4bm,A15B3C5_tP46_100_bc3d_ac_bd:F-Li-Mn,46.0,"Invalid WP multiplicities - A15B3C5_tP46_100_2b2c24d_2a2c_2b2d:F-Li-Mn, expected Li3Mn5F51 to be Li3Mn5F15" +mp-755656,Li3MnF6,-5.6298909147,-2.994125145,0.0376466663,0.0376466663,GGA+U,P1,A6B3C_aP30_1_18a_9a_3a:F-Li-Mn,30.0,A6B3C_aP30_1_18a_9a_3a:F-Li-Mn +mp-777780,Li3MnF6,-5.6445958765,-3.0088301068,0.0229417045,0.0229417045,GGA+U,P-1,A6B3C_aP20_2_6i_3i_be:F-Li-Mn,20.0,"Invalid WP multiplicities - A6B3C_aP20_2_11i_5i_be:F-Li-Mn, expected Li5MnF11 to be Li3MnF6" +mp-777812,Li3MnF6,-5.6304329275,-2.9946671578,0.0371046535,0.0371046535,GGA+U,Cc,A6B3C_mC40_9_6a_3a_a:F-Li-Mn,20.0,"Invalid WP multiplicities - A6B3C_mC40_9_10a_4a_a:F-Li-Mn, expected Li4MnF10 to be Li3MnF6" +mp-757600,Li3MnF6,-5.574514597,-2.9387488273,0.093022984,0.093022984,GGA+U,C2/m,A6B3C_mC20_12_ij_ag_c:F-Li-Mn,10.0,"Invalid WP multiplicities - A6B3C_mC20_12_2i2j_a2g_d:F-Li-Mn, expected Li5MnF12 to be Li3MnF6" +mp-776098,Li3MnF6,-5.5899433588,-2.954177589,0.0775942223,0.0775942223,GGA+U,P2_1/c,A6B3C_mP40_14_6e_3e_ad:F-Li-Mn,40.0,"Invalid WP multiplicities - A6B3C_mP40_14_21e_5e_ab:F-Li-Mn, expected Li5MnF21 to be Li3MnF6" +mp-760028,Li3MnF6,-5.6654442125,-3.0296784428,0.0020933685,0.0020933685,GGA+U,C2/c,A6B3C_mC120_15_9f_e4f_af:F-Li-Mn,60.0,"Invalid WP multiplicities - A6B3C_mC120_15_33f_e8f_c2f:F-Li-Mn, expected Li17Mn5F66 to be Li3MnF6" +mp-1111072,Li3MnF6,-5.412228741,-2.7764629713,0.25530884,0.25530884,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Mn,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Mn +mp-758861,Li3AgF4,-4.6174457469,-2.5917906877,0.0911781006,0.0911781006,GGA,P1,AB4C3_aP64_1_8a_32a_24a:Ag-F-Li,64.0,AB4C3_aP64_1_8a_32a_24a:Ag-F-Li +mp-867824,LiAg3F8,-3.7825426504,-1.6410074324,0.0728646071,0.0728646071,GGA,C2/c,A3B8C_mC48_15_af_4f_e:Ag-F-Li,24.0,"Invalid WP multiplicities - A3B8C_mC48_15_c2f_9f_e:Ag-F-Li, expected LiAg5F18 to be LiAg3F8" +mp-759449,Li3Ag2F5,-4.3912602457,-2.2963327013,0.0968506012,0.0968506012,GGA,P1,A2B5C3_aP40_1_8a_20a_12a:Ag-F-Li,40.0,A2B5C3_aP40_1_8a_20a_12a:Ag-F-Li +mp-760582,Li2AgF3,-4.4919097108,-2.4277699376,0.0942069142,0.0942069142,GGA,C2/m,AB3C2_mC24_12_g_ij_adh:Ag-F-Li,12.0,"Invalid WP multiplicities - AB3C2_mC24_12_g_2i3j_ac2h:Ag-F-Li, expected Li3AgF8 to be Li2AgF3" +mp-760580,Li2AgF3,-4.5094802425000005,-2.4453404693,0.0766363825,0.0766363825,GGA,C2/c,AB3C2_mC24_15_e_cf_2e:Ag-F-Li,12.0,"Invalid WP multiplicities - AB3C2_mC24_15_e_2a3f_3e:Ag-F-Li, expected Li3AgF8 to be Li2AgF3" +mp-760805,Li2AgF3,-4.4848542296,-2.4207144564,0.1012623954,0.1012623954,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-F-Li,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_9c_5c:Ag-F-Li, expected Li5AgF9 to be Li2AgF3" +mp-752793,Li2AgF3,-4.4842861492,-2.420146376,0.1018304758,0.1018304758,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-F-Li,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_9c_5c:Ag-F-Li, expected Li5AgF9 to be Li2AgF3" +mp-753009,Li2AgF3,-4.4828735179,-2.4187337447,0.1032431071,0.1032431071,GGA,Pnma,AB3C2_oP24_62_c_3c_d:Ag-F-Li,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_9c_d:Ag-F-Li, expected Li2AgF9 to be Li2AgF3" +mp-759198,Li2AgF3,-4.49955865,-2.4354188768,0.086557975,0.086557975,GGA,Cmcm,AB3C2_oC24_63_c_cg_e:Ag-F-Li,12.0,"Invalid WP multiplicities - AB3C2_oC24_63_c_2c3g_e:Ag-F-Li, expected Li2AgF8 to be Li2AgF3" +mp-754466,Li2AgF3,-4.5502519017,-2.4861121285,0.0358647233,0.0358647233,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Ag-F-Li,6.0,AB3C2_hP6_164_a_bd_d:Ag-F-Li +mp-760133,Li6Ag3F10,-4.4631107266,-2.4070057326,0.0797169026,0.0797169026,GGA,Pna2_1,A3B10C6_oP76_33_3a_10a_6a:Ag-F-Li,76.0,"Invalid WP multiplicities - A3B10C6_oP76_33_9a_37a_21a:Ag-F-Li, expected Li21Ag9F37 to be Li6Ag3F10" +mp-849476,Li17Ag12F29,-4.3573917748,-2.2560943467,0.1104420147,0.1104420147,GGA,F-43m,A12B29C17_cF232_216_fg_ae2h_c4e:Ag-F-Li,58.0,"Invalid WP multiplicities - A12B29C17_cF232_216_fg_a3e12h_c8e:Ag-F-Li, expected Li33Ag12F157 to be Li17Ag12F29" +mp-753244,LiMn2F9,-5.6809205058,-2.561231826,0.0132565563,0.0132565563,GGA+U,P1,A9BC2_aP24_1_18a_2a_4a:F-Li-Mn,24.0,A9BC2_aP24_1_18a_2a_4a:F-Li-Mn +mp-756827,LiMn2F9,-5.6762886788,-2.5565999989,0.0178883834,0.0178883834,GGA+U,P1,A9BC2_aP24_1_18a_2a_4a:F-Li-Mn,24.0,A9BC2_aP24_1_18a_2a_4a:F-Li-Mn +mp-753019,LiMn2F9,-5.6112900917,-2.4916014118,0.0828869705,0.0828869705,GGA+U,P-1,A9BC2_aP24_2_9i_i_2i:F-Li-Mn,24.0,"Invalid WP multiplicities - A9BC2_aP24_2_17i_i_3i:F-Li-Mn, expected LiMn3F17 to be LiMn2F9" +mp-765136,LiMn8F33,-5.7134459248,-2.4209732788,0.0277603962,0.0277603962,GGA+U,P31c,A33BC8_hP84_159_11c_b_ab2c:F-Li-Mn,84.0,"Invalid WP multiplicities - A33BC8_hP84_159_64c_b_a2b6c:F-Li-Mn, expected LiMn21F192 to be LiMn8F33" +mp-754135,Li3Mn2F9,-5.8449905793,-2.8982684442,0.0725597791,0.0725597791,GGA+U,P1,A9B3C2_aP28_1_18a_6a_4a:F-Li-Mn,28.0,A9B3C2_aP28_1_18a_6a_4a:F-Li-Mn +mp-761147,Li3Mn2F9,-5.84393943,-2.8972172949,0.0736109284,0.0736109284,GGA+U,P1,A9B3C2_aP28_1_18a_6a_4a:F-Li-Mn,28.0,A9B3C2_aP28_1_18a_6a_4a:F-Li-Mn +mp-753570,Li2Mn7F16,-6.8623860988,-2.9209614485,0.0789875852,0.0789875852,GGA+U,R-3,A16B2C7_hR75_148_2c2f_c_af:F-Li-Mn,25.0,"Invalid WP multiplicities - A16B2C7_hR75_148_3c8f_c_af:F-Li-Mn, expected Li2Mn7F54 to be Li2Mn7F16" +mp-757143,Li2Mn3F10,-6.220341772,-2.859096353,0.0820053077,0.0820053077,GGA+U,C2/m,A10B2C3_mC60_12_eh4i2j_2i_g2i:F-Li-Mn,30.0,"Invalid WP multiplicities - A10B2C3_mC60_12_eg7i4j_3i_h3i:F-Li-Mn, expected Li3Mn4F17 to be Li2Mn3F10" +mp-760273,LiAg2F5,-3.9332520233,-1.7918233094,0.0797202042,0.0797202042,GGA,P-1,A2B5C_aP64_2_abeh6i_20i_4i:Ag-F-Li,64.0,"Invalid WP multiplicities - A2B5C_aP64_2_abeh11i_39i_7i:Ag-F-Li, expected Li7Ag13F39 to be LiAg2F5" +mp-753316,Li2AgF5,-4.24303834,-2.2170637682,0.0651730762,0.0651730762,GGA,P1,AB5C2_aP8_1_a_5a_2a:Ag-F-Li,8.0,AB5C2_aP8_1_a_5a_2a:Ag-F-Li +mp-765481,Li2AgF5,-4.2698990234,-2.2439244517,0.0383123928,0.0383123928,GGA,P2_1/c,AB5C2_mP32_14_ab_5e_2e:Ag-F-Li,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_ad_19e_3e:Ag-F-Li, expected Li3AgF19 to be Li2AgF5" +mp-758554,Li2AgF5,-4.2223360247,-2.1963614529,0.0858753916,0.0858753916,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ag-F-Li,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_19e_7e:Ag-F-Li, expected Li7AgF19 to be Li2AgF5" +mp-760778,Li2AgF5,-4.2699306975,-2.2439561257,0.0382807187,0.0382807187,GGA,C2/c,AB5C2_mC32_15_a_e2f_f:Ag-F-Li,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_c_e6f_f:Ag-F-Li, expected Li2AgF13 to be Li2AgF5" +mp-758134,Li2AgF5,-4.2522999919,-2.2263254201,0.0559114244,0.0559114244,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ag-F-Li,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_c4f_f:Ag-F-Li, expected Li2AgF9 to be Li2AgF5" +mp-767600,Li2MnF5,-5.7308999941,-2.9137430112,0.0844856034,0.0801664036,GGA+U,P2_1,A5B2C_mP32_4_10a_4a_2a:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_mP32_4_19a_7a_3a:F-Li-Mn, expected Li7Mn3F19 to be Li2MnF5" +mp-759392,Li2MnF5,-5.7611887672,-2.9440317843,0.0541968303,0.0498776305,GGA+U,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_13e_3e_e:F-Li-Mn, expected Li3MnF13 to be Li2MnF5" +mp-764826,Li2MnF5,-5.7483725686,-2.9312155858,0.0670130289,0.062693829,GGA+U,P2_1/c,A5B2C_mP96_14_15e_6e_3e:F-Li-Mn,96.0,"Invalid WP multiplicities - A5B2C_mP96_14_45e_11e_5e:F-Li-Mn, expected Li11Mn5F45 to be Li2MnF5" +mp-556229,Li2MnF5,-5.8153855975,-2.9982286146,0.0,-0.0043191998,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_a:F-Li-Mn,16.0,A5B2C_mC32_15_e2f_f_c:F-Li-Mn +mp-776841,Li2MnF5,-5.75271134,-2.9355543571,0.0626742575,0.0583550577,GGA+U,P2_12_12_1,A5B2C_oP32_19_5a_2a_a:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_oP32_19_17a_5a_a:F-Li-Mn, expected Li5MnF17 to be Li2MnF5" +mp-779165,Li2MnF5,-5.7537235028,-2.9365665199,0.0616620947,0.0573428948,GGA+U,Pna2_1,A5B2C_oP32_33_5a_2a_a:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_9c4d_d_c:F-Li-Mn, expected Li2MnF17 to be Li2MnF5" +mp-767572,Li2MnF5,-5.7526640719,-2.935507089,0.0627215256,0.0584023258,GGA+U,Pna2_1,A5B2C_oP32_33_5a_2a_a:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_oP32_33_19a_5a_a:F-Li-Mn, expected Li5MnF19 to be Li2MnF5" +mp-766942,Li2MnF5,-5.7594258866,-2.9422689037,0.0559597109,0.0516405111,GGA+U,Pnma,A5B2C_oP32_62_3cd_d_c:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_11c2d_d_c:F-Li-Mn, expected Li2MnF15 to be Li2MnF5" +mp-776169,Li2MnF5,-5.7531926419,-2.936035659,0.0621929556,0.0578737558,GGA+U,Pnma,A5B2C_oP32_62_a2cd_2c_c:F-Li-Mn,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_2a6c4d_5c_c:F-Li-Mn, expected Li5MnF16 to be Li2MnF5" +mp-756243,Li2MnF5,-5.7984716087,-2.9813146259,0.0169139888,0.0125947889,GGA+U,Cmcm,A5B2C_oC32_63_c2f_f_c:F-Li-Mn,16.0,"Invalid WP multiplicities - A5B2C_oC32_63_c4f_f_c:F-Li-Mn, expected Li2MnF9 to be Li2MnF5" +mp-760804,Li2AgF4,-4.3996961086,-2.3573650219,0.0689218136,0.0689218136,GGA,P2/c,AB4C2_mP14_13_e_2g_g:Ag-F-Li,14.0,"Invalid WP multiplicities - AB4C2_mP14_13_e_7g_g:Ag-F-Li, expected Li2AgF14 to be Li2AgF4" +mp-761269,Li2AgF4,-4.4341044007,-2.391773314,0.0345135214,0.0345135214,GGA,C2/c,AB4C2_mC28_15_c_2f_2e:Ag-F-Li,14.0,"Invalid WP multiplicities - AB4C2_mC28_15_a_5f_3e:Ag-F-Li, expected Li3AgF10 to be Li2AgF4" +mp-760817,Li2AgF4,-4.3797577637,-2.337426677,0.0888601585,0.0888601585,GGA,Pna2_1,AB4C2_oP84_33_3a_12a_6a:Ag-F-Li,84.0,AB4C2_oP84_33_6a_24a_12a:Ag-F-Li +mp-762244,Li2AgF4,-4.3738701279,-2.3315390412,0.0947477943,0.0947477943,GGA,P4/ncc,AB4C2_tP28_130_c_g_f:Ag-F-Li,28.0,AB4C2_tP28_130_c_g_f:Ag-F-Li +mp-760781,Li2AgF4,-4.4154932212,-2.3731621345,0.053124701,0.053124701,GGA,R-3,AB4C2_hR126_148_f_4f_2f:Ag-F-Li,42.0,"Invalid WP multiplicities - AB4C2_hR126_148_f_15f_7f:Ag-F-Li, expected Li7AgF15 to be Li2AgF4" +mp-759518,Li3Mn4F15,-6.0680815091,-2.8386717691000003,0.0651347347,0.0651347347,GGA+U,Pmn2_1,A15B3C4_oP88_31_30a_6a_8a:F-Li-Mn,88.0,A15B3C4_oP88_31_60a_12a_16a:F-Li-Mn +mp-764645,Li3MnF7,-5.4294817109,-2.8595601959,0.0625428485,0.0625428485,GGA+U,P1,A7B3C_aP22_1_14a_6a_2a:F-Li-Mn,22.0,A7B3C_aP22_1_14a_6a_2a:F-Li-Mn +mp-759724,Li3MnF7,-5.4373875155,-2.8674660005,0.0546370439,0.0546370439,GGA+U,R3m,A7B3C_hR33_160_a2b_b_a:F-Li-Mn,11.0,A7B3C_hR33_160_a2b_b_a:F-Li-Mn +mp-755582,Li2MnF4,-5.9452749243,-2.9987353678,0.0825176157,0.0825176157,GGA+U,C2,A4B2C_mC28_5_4c_abc_c:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mC28_5_7c_ab2c_c:F-Li-Mn, expected Li3MnF7 to be Li2MnF4" +mp-778554,Li2MnF4,-5.9964818814,-3.0499423249,0.0313106586,0.0313106586,GGA+U,Pc,A4B2C_mP14_7_4a_2a_a:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mP14_7_8a_3a_a:F-Li-Mn, expected Li3MnF8 to be Li2MnF4" +mp-777846,Li2MnF4,-5.9951338157,-3.0485942592,0.0326587243,0.0326587243,GGA+U,Pc,A4B2C_mP14_7_4a_2a_a:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mP14_7_8a_3a_a:F-Li-Mn, expected Li3MnF8 to be Li2MnF4" +mp-756119,Li2MnF4,-5.9249845629,-2.9784450064,0.1028079771,0.1028079771,GGA+U,C2/m,A4B2C_mC28_12_4i_2i_i:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mC28_12_7i_3i_i:F-Li-Mn, expected Li3MnF7 to be Li2MnF4" +mp-754714,Li2MnF4,-5.9910006429,-3.0444610864,0.0367918971,0.0367918971,GGA+U,P2_1/c,A4B2C_mP14_14_2e_e_a:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mP14_14_7e_e_a:F-Li-Mn, expected Li2MnF14 to be Li2MnF4" +mp-774382,Li2MnF4,-5.9622608132,-3.0157212567,0.0655317268,0.0655317268,GGA+U,P2_1/c,A4B2C_mP56_14_8e_4e_2e:F-Li-Mn,56.0,"Invalid WP multiplicities - A4B2C_mP56_14_29e_15e_3e:F-Li-Mn, expected Li15Mn3F29 to be Li2MnF4" +mp-777485,Li2MnF4,-5.9731684032,-3.0266288467,0.0546241368,0.0546241368,GGA+U,P2_1/c,A4B2C_mP28_14_4e_2e_e:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_mP28_14_13e_5e_e:F-Li-Mn, expected Li5MnF13 to be Li2MnF4" +mp-778801,Li2MnF4,-5.9612731895,-3.014733633,0.0665193505,0.0665193505,GGA+U,P2_1/c,A4B2C_mP56_14_8e_4e_2e:F-Li-Mn,56.0,"Invalid WP multiplicities - A4B2C_mP56_14_23e_15e_3e:F-Li-Mn, expected Li15Mn3F23 to be Li2MnF4" +mp-779874,Li2MnF4,-5.9408128393,-2.9942732828,0.0869797007,0.0869797007,GGA+U,P2_1/c,A4B2C_mP84_14_12e_6e_3e:F-Li-Mn,84.0,"Invalid WP multiplicities - A4B2C_mP84_14_47e_21e_11e:F-Li-Mn, expected Li21Mn11F47 to be Li2MnF4" +mp-1177903,Li2MnF4,-5.9960760636,-3.0495365071,0.0317164764,0.0317164764,GGA+U,P2_1/c,A4B2C_mP28_14_4e_2e_e:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_mP28_14_15e_3e_e:F-Li-Mn, expected Li3MnF15 to be Li2MnF4" +mp-1177921,Li2MnF4,-6.0022629471,-3.0557233907,0.0255295929,0.0255295929,GGA+U,P2_1/c,A4B2C_mP14_14_2e_e_a:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mP14_14_7e_e_a:F-Li-Mn, expected Li2MnF14 to be Li2MnF4" +mp-755434,Li2MnF4,-6.0037952021,-3.0572556457,0.0239973379,0.0239973379,GGA+U,C2/c,A4B2C_mC28_15_2f_f_e:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_mC28_15_3f_f_e:F-Li-Mn, expected Li2MnF6 to be Li2MnF4" +mp-763104,Li2MnF4,-5.9585979336,-3.0120583771,0.0691946064,0.0691946064,GGA+U,Pmc2_1,A4B2C_oP14_26_2a2b_2a_b:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oP14_26_4a4b_4a_b:F-Li-Mn, expected Li4MnF8 to be Li2MnF4" +mp-759664,Li2MnF4,-5.969514277,-3.0229747205,0.058278263,0.058278263,GGA+U,Pna2_1,A4B2C_oP56_33_8a_4a_2a:F-Li-Mn,56.0,"Invalid WP multiplicities - A4B2C_oP56_33_29a_13a_5a:F-Li-Mn, expected Li13Mn5F29 to be Li2MnF4" +mp-778731,Li2MnF4,-5.9768870136,-3.0303474571,0.0509055264,0.0509055264,GGA+U,Pnn2,A4B2C_oP56_34_8c_a3b2c_2ac:F-Li-Mn,56.0,"Invalid WP multiplicities - A4B2C_oP56_34_29c_2a6b6c_4a2c:F-Li-Mn, expected Li10Mn4F29 to be Li2MnF4" +mp-760139,Li2MnF4,-5.9859852414,-3.0394456849,0.0418072986,0.0418072986,GGA+U,Imm2,A4B2C_oI28_44_2c2d_cd_ab:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oI28_44_2c3d_cd_ab:F-Li-Mn, expected Li2MnF5 to be Li2MnF4" +mp-764280,Li2MnF4,-5.985209065,-3.0386695085,0.042583475,0.042583475,GGA+U,Pbam,A4B2C_oP14_55_gh_g_b:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oP14_55_2gh_h_a:F-Li-Mn, expected Li2MnF6 to be Li2MnF4" +mp-752628,Li2MnF4,-5.9815927982,-3.0350532417,0.0461997418,0.0461997418,GGA+U,Pmmn,A4B2C_oP28_59_2eg_ce_ab:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_oP28_59_6e3g_2c3e_2ab:F-Li-Mn, expected Li10Mn3F24 to be Li2MnF4" +mp-752762,Li2MnF4,-5.95469421,-3.0081546535,0.07309833,0.07309833,GGA+U,Pnma,A4B2C_oP28_62_4c_2c_c:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_13c_5c_c:F-Li-Mn, expected Li5MnF13 to be Li2MnF4" +mp-763349,Li2MnF4,-5.9546210275,-3.008081471,0.0731715125,0.0731715125,GGA+U,Pnma,A4B2C_oP28_62_2cd_ac_c:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_7c2d_2a2c_c:F-Li-Mn, expected Li4MnF11 to be Li2MnF4" +mp-774430,Li2MnF4,-5.9789522707,-3.0324127142,0.0488402693,0.0488402693,GGA+U,Cmcm,A4B2C_oC28_63_acf_f_c:F-Li-Mn,14.0,"Invalid WP multiplicities - A4B2C_oC28_63_a2c2f_f_c:F-Li-Mn, expected Li2MnF7 to be Li2MnF4" +mp-763433,Li2MnF4,-5.9519058314,-3.0053662749,0.0758867086,0.0758867086,GGA+U,Imma,A4B2C_oI56_74_2ehj_aeg_h:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_oI56_74_3e4h4j_2ae2g_h:F-Li-Mn, expected Li7Mn2F27 to be Li2MnF4" +mp-763098,Li2MnF4,-5.93495763,-2.9884180735,0.09283491,0.09283491,GGA+U,I-4,A4B2C_tI14_82_g_ac_b:F-Li-Mn,7.0,A4B2C_tI14_82_g_ac_b:F-Li-Mn +mp-777589,Li2MnF4,-6.0063166246,-3.0597770682,0.0214759154,0.0214759154,GGA+U,P4_322,A4B2C_tP28_95_2d_ac_b:F-Li-Mn,28.0,"Invalid WP multiplicities - A4B2C_tP28_95_3d_2a2c_b:F-Li-Mn, expected Li4MnF6 to be Li2MnF4" +mp-758876,Li2MnF4,-5.9262304729,-2.9796909164,0.1015620671,0.1015620671,GGA+U,P-42m,A4B2C_tP7_111_n_e_b:F-Li-Mn,7.0,A4B2C_tP7_111_n_e_b:F-Li-Mn +mp-1177899,Li2MnF4,-5.9559691186,-3.0094295621,0.0718234214,0.0718234214,GGA+U,I4/mmm,A4B2C_tI14_139_ce_d_a:F-Li-Mn,7.0,A4B2C_tI14_139_ce_d_a:F-Li-Mn +mp-759389,Li2MnF4,-5.9972576396,-3.0507180832,0.0305349004,0.0305349004,GGA+U,I4_1/amd,A4B2C_tI112_141_2hi_fg_h:F-Li-Mn,56.0,"Invalid WP multiplicities - A4B2C_tI112_141_9h4i_5f4g_h:F-Li-Mn, expected Li9MnF17 to be Li2MnF4" +mp-764846,Li2MnF4,-5.9661709526,-3.0196313961,0.0616215874,0.0616215874,GGA+U,R-3,A4B2C_hR126_148_4f_2f_f:F-Li-Mn,42.0,"Invalid WP multiplicities - A4B2C_hR126_148_19f_7f_f:F-Li-Mn, expected Li7MnF19 to be Li2MnF4" +mp-752931,Li2MnF4,-5.9415933986,-2.9950538421,0.0861991414,0.0861991414,GGA+U,R-3m,A4B2C_hR21_166_2c_c_a:F-Li-Mn,7.0,"Invalid WP multiplicities - A4B2C_hR21_166_3c_c_a:F-Li-Mn, expected Li2MnF6 to be Li2MnF4" +mp-754446,Li2MnF4,-5.9738930457,-3.0273534892,0.0538994943,0.0538994943,GGA+U,Fd-3m,A4B2C_cF56_227_e_c_b:F-Li-Mn,14.0,A4B2C_cF56_227_e_c_b:F-Li-Mn +mp-764848,Li14Mn5F24,-5.7775987,-3.0238663322,0.0731432307,0.0731432307,GGA+U,Pbam,A24B14C5_oP86_55_3g3h3i_acgh2i_bgh:F-Li-Mn,86.0,"Invalid WP multiplicities - A24B14C5_oP86_55_11g10h12i_2a2c4g2h8i_2b2g4h:F-Li-Mn, expected Li24Mn7F45 to be Li14Mn5F24" +mp-753981,Li2Mn7F18,-6.6712474733,-2.8801891699,0.0730143443,0.0730143443,GGA+U,P-1,A18B2C7_aP27_2_9i_i_a3i:F-Li-Mn,27.0,"Invalid WP multiplicities - A18B2C7_aP27_2_17i_i_a5i:F-Li-Mn, expected Li2Mn11F34 to be Li2Mn7F18" +mp-752734,LiAg2F4,-3.999016795,-1.8247381174,0.0495763643,0.0495763643,GGA,P2_1/m,A2B4C_mP14_11_f_aef_e:Ag-F-Li,14.0,"Invalid WP multiplicities - A2B4C_mP14_11_f_2ae2f_e:Ag-F-Li, expected LiAg2F7 to be LiAg2F4" +mp-752565,LiAg2F4,-3.9974327682,-1.8231540906,0.0511603911,0.0511603911,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ag-F-Li,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_7e_13e_e:Ag-F-Li, expected LiAg7F13 to be LiAg2F4" +mp-762029,LiAg2F4,-4.0100361157,-1.8357574381,0.0385570436,0.0385570436,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ag-F-Li,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_3e_15e_e:Ag-F-Li, expected LiAg3F15 to be LiAg2F4" +mp-752878,LiAg2F4,-4.0017347275,-1.8274560499,0.0468584318,0.0468584318,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ag-F-Li,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_6c3d_c:Ag-F-Li, expected LiAg4F12 to be LiAg2F4" +mp-753216,LiAg2F4,-4.0082189107,-1.8339402331,0.0403742486,0.0403742486,GGA,Cmce,A2B4C_oC28_64_e_df_a:Ag-F-Li,14.0,"Invalid WP multiplicities - A2B4C_oC28_64_e_2df_a:Ag-F-Li, expected LiAg2F6 to be LiAg2F4" +mp-867534,LiAg2F4,-3.9844902857,-1.8102116081,0.0641028736,0.0641028736,GGA,Ccce,A2B4C_oC56_68_ef_2i_h:Ag-F-Li,28.0,"Invalid WP multiplicities - A2B4C_oC56_68_3e4f_9i_h:Ag-F-Li, expected LiAg7F18 to be LiAg2F4" +mp-752666,LiAg2F4,-4.019855475,-1.8455767974,0.0287376843,0.0287376843,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ag-F-Li,14.0,A2B4C_oF56_70_e_h_a:Ag-F-Li +mp-752948,LiAg2F4,-3.9299333829,-1.7556547052,0.1186597764,0.1186597764,GGA,I-4,A2B4C_tI14_82_ac_g_b:Ag-F-Li,7.0,A2B4C_tI14_82_ac_g_b:Ag-F-Li +mp-758890,LiAg2F4,-3.9646152,-1.7903365224,0.0839779593,0.0839779593,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Ag-F-Li,14.0,A2B4C_tI28_88_c_f_b:Ag-F-Li +mp-753385,LiAg2F4,-3.9653736507,-1.7910949731,0.0832195086,0.0832195086,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ag-F-Li,14.0,A2B4C_cF56_227_c_e_b:Ag-F-Li +mp-1177082,Li5MnF8,-5.45801303,-3.0295515039,0.0405553893,0.0405553893,GGA+U,Cmmm,A8B5C_oC28_65_ghn_am_d:F-Li-Mn,14.0,"Invalid WP multiplicities - A8B5C_oC28_65_2g2hn_a2m_d:F-Li-Mn, expected Li9MnF12 to be Li5MnF8" +mp-756629,Li5MnF8,-5.4540992114,-3.0256376853,0.0444692079,0.0444692079,GGA+U,Immm,A8B5C_oI28_71_efl_ak_c:F-Li-Mn,14.0,"Invalid WP multiplicities - A8B5C_oI28_71_2e2f3l_a2k_c:F-Li-Mn, expected Li9MnF20 to be Li5MnF8" +mp-759990,LiMnF4,-6.0536585348,-2.9341828633,0.0001115048,-0.0131600823,GGA+U,P1,A4BC_aP48_1_32a_8a_8a:F-Li-Mn,48.0,"Invalid WP multiplicities - A4BC_tI96_88_25f_f_f:F-Li-Mn, expected LiMnF25 to be LiMnF4" +mp-752740,LiMnF4,-6.0128327983,-2.8933571269,0.0409372413,0.0276656542,GGA+U,P-1,A4BC_aP12_2_4i_i_ae:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_a:F-Li-Mn, expected LiMnF14 to be LiMnF4" +mp-759623,LiMnF4,-5.9856232047,-2.8661475333,0.0681468349,0.0548752478,GGA+U,P-1,A4BC_aP36_2_12i_3i_3i:F-Li-Mn,36.0,"Invalid WP multiplicities - A4BC_aP36_2_23i_5i_5i:F-Li-Mn, expected Li5Mn5F23 to be LiMnF4" +mp-777862,LiMnF4,-5.991547641,-2.8720719695,0.0622223986,0.0489508115,GGA+U,P2_1,A4BC_mP72_4_24a_6a_6a:F-Li-Mn,72.0,"Invalid WP multiplicities - A4BC_mP72_4_47a_11a_11a:F-Li-Mn, expected Li11Mn11F47 to be LiMnF4" +mp-752973,LiMnF4,-5.9983721292,-2.8788964577,0.0553979104,0.0421263233,GGA+U,Cc,A4BC_mC24_9_4a_a_a:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mC24_9_8a_a_a:F-Li-Mn, expected LiMnF8 to be LiMnF4" +mp-776117,LiMnF4,-6.048041955,-2.9285662835,0.0057280846,-0.0075435025,GGA+U,C2/m,A4BC_mC12_12_gi_c_b:F-Li-Mn,6.0,A4BC_mC12_12_gi_c_b:F-Li-Mn +mp-779343,LiMnF4,-5.9937199725,-2.874244301,0.0600500671,0.04677848,GGA+U,C2/m,A4BC_mC48_12_ac7i_2i_2i:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mC48_12_ac13i_3i_3i:F-Li-Mn, expected Li3Mn3F14 to be LiMnF4" +mp-1176626,LiMnF4,-6.0046682067,-2.8851925352,0.0491018329,0.0358302458,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Li-Mn, expected LiMnF7 to be LiMnF4" +mp-1176629,LiMnF4,-6.0037201117,-2.8842444402,0.0500499279,0.0367783408,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Li-Mn, expected LiMnF7 to be LiMnF4" +mp-1176628,LiMnF4,-6.0376071567,-2.9181314852,0.0161628829,0.0028912958,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mP12_13_3g_e_f:F-Li-Mn, expected LiMnF6 to be LiMnF4" +mp-1176637,LiMnF4,-6.0002152975,-2.880739626,0.0535547421,0.040283155,GGA+U,P2/c,A4BC_mP24_13_4g_ef_ab:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_13_15g_ef_ab:F-Li-Mn, expected LiMnF15 to be LiMnF4" +mp-753242,LiMnF4,-5.9043242696,-2.7848485981,0.14944577,0.1361741829,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_7e_e_e:F-Li-Mn, expected LiMnF7 to be LiMnF4" +mp-754618,LiMnF4,-6.0220241821,-2.9025485106,0.0317458575,0.0184742704,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_7e_e_e:F-Li-Mn, expected LiMnF7 to be LiMnF4" +mp-753115,LiMnF4,-6.0202626092,-2.9007869377,0.0335074304,0.0202358433,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_ad:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_2ad:F-Li-Mn, expected Li2Mn3F22 to be LiMnF4" +mp-752874,LiMnF4,-5.9933306262,-2.8738549548,0.0604394133,0.0471678263,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_ac:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_2ac:F-Li-Mn, expected Li2Mn3F26 to be LiMnF4" +mp-1176638,LiMnF4,-6.0304750842,-2.9109994127,0.0232949554,0.0100233683,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_a:F-Li-Mn, expected LiMnF14 to be LiMnF4" +mp-759098,LiMnF4,-5.9900172246,-2.8705415531,0.063752815,0.0504812279,GGA+U,Pmn2_1,A4BC_oP48_31_4a6b_4a_2b:F-Li-Mn,48.0,"Invalid WP multiplicities - A4BC_oP48_31_8a22b_7a_5b:F-Li-Mn, expected Li7Mn10F52 to be LiMnF4" +mp-753485,LiMnF4,-5.9566258279,-2.8371501565,0.0971442117,0.0838726246,GGA+U,Pna2_1,A4BC_oP24_33_4a_a_a:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_33_13a_a_a:F-Li-Mn, expected LiMnF13 to be LiMnF4" +mp-763100,LiMnF4,-5.9918790712,-2.8724033998,0.0618909683,0.0486193813,GGA+U,Pnna,A4BC_oP24_52_2e_d_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_52_5e_d_c:F-Li-Mn, expected LiMnF10 to be LiMnF4" +mp-1176654,LiMnF4,-6.0384145792,-2.9189389077000003,0.0153554604,0.0020838733,GGA+U,Pmmn,A4BC_oP12_59_ef_a_b:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_oP12_59_2ef_a_b:F-Li-Mn, expected LiMnF6 to be LiMnF4" +mp-780710,LiMnF4,-5.6777371338,-2.5582614623,0.3760329058,0.3627613188,GGA+U,Pbcn,A4BC_oP24_60_2d_c_a:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_a:F-Li-Mn, expected LiMnF10 to be LiMnF4" +mp-777848,LiMnF4,-5.8578160567,-2.7383403852,0.1959539829,0.1826823958,GGA+U,Pbcn,A4BC_oP24_60_2d_a_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_a_c:F-Li-Mn, expected LiMnF10 to be LiMnF4" +mp-761183,LiMnF4,-6.0433873246,-2.9239116531,0.010382715,-0.0028888721,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Li-Mn, expected LiMnF10 to be LiMnF4" +mp-763199,LiMnF4,-6.0211231808,-2.9016475094,0.0326468588,0.0193752717,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Li-Mn, expected LiMnF10 to be LiMnF4" +mp-752586,LiMnF4,-6.0151472337,-2.8956715623,0.0386228058,0.0253512188,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_62_7c2d_c_c:F-Li-Mn, expected LiMnF11 to be LiMnF4" +mp-780728,LiMnF4,-6.03255061,-2.9130749385,0.0212194296,0.0079478425,GGA+U,Pnma,A4BC_oP24_62_2cd_a_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_62_5c4d_a_c:F-Li-Mn, expected LiMnF13 to be LiMnF4" +mp-776813,LiMnF4,-6.0369253575,-2.9174496860000003,0.0168446821,0.003573095,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oC24_63_6c3e_c_a:F-Li-Mn, expected LiMnF12 to be LiMnF4" +mp-776106,LiMnF4,-6.0353656063,-2.9158899348,0.0184044333,0.0051328463,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:F-Li-Mn,24.0,"Invalid WP multiplicities - A4BC_oP24_62_6c3d_c_c:F-Li-Mn, expected LiMnF12 to be LiMnF4" +mp-758605,LiMnF4,-5.9621897892,-2.8427141177,0.0915802504,0.0783086633,GGA+U,Cmcm,A4BC_oC24_63_acf_c_b:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2a2c4f_c_b:F-Li-Mn, expected LiMnF12 to be LiMnF4" +mp-755191,LiMnF4,-6.0078650283,-2.8883893569,0.0459050112,0.0326334242,GGA+U,Cmcm,A4BC_oC24_63_fg_c_a:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_a:F-Li-Mn, expected LiMnF6 to be LiMnF4" +mp-775154,LiMnF4,-5.9656755514,-2.8461998799,0.0880944882,0.0748229011,GGA+U,Cmcm,A4BC_oC72_63_2c2fgh_ce_cf:F-Li-Mn,36.0,"Invalid WP multiplicities - A4BC_oC72_63_4c6f2g2h_c2e_2c2f:F-Li-Mn, expected Li5Mn6F28 to be LiMnF4" +mp-1176621,LiMnF4,-6.038743595,-2.9192679235,0.0150264446,0.0017548575,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:F-Li-Mn,6.0,A4BC_oC12_65_gj_a_c:F-Li-Mn +mp-756108,LiMnF4,-6.036913235,-2.9174375635,0.0168568046,0.0035852175,GGA+U,Imma,A4BC_oI24_74_hi_e_a:F-Li-Mn,12.0,"Invalid WP multiplicities - A4BC_oI24_74_h2i_e_a:F-Li-Mn, expected LiMnF6 to be LiMnF4" +mp-1176639,LiMnF4,-6.0537700396,-2.9342943681,0.0,-0.0132715871,GGA+U,I4_1/a,A4BC_tI96_88_4f_f_f:F-Li-Mn,48.0,"Invalid WP multiplicities - A4BC_tI96_88_25f_f_f:F-Li-Mn, expected LiMnF25 to be LiMnF4" +mp-1176622,LiMnF4,-5.983379065,-2.8639033935,0.0703909746,0.0571193875,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:F-Li-Mn,12.0,A4BC_tI24_141_h_a_b:F-Li-Mn +mp-759679,LiMnF4,-5.9798697494,-2.860394078,0.0739002901,0.0606287031,GGA+U,P3_1,A4BC_hP36_144_8a_2a_2a:F-Li-Mn,36.0,"Invalid WP multiplicities - A4BC_hP36_144_22a_2a_5a:F-Li-Mn, expected Li2Mn5F22 to be LiMnF4" +mp-752767,LiAgF2,-4.3167781725,-2.1756689713,0.0243240075,0.0243240075,GGA,C2,AB2C_mC8_5_a_c_b:Ag-F-Li,4.0,AB2C_hR12_166_a_c_b:Ag-F-Li +mp-752549,LiAgF2,-4.310562835,-2.1694536337,0.030539345,0.030539345,GGA,C2/m,AB2C_mC8_12_a_i_d:Ag-F-Li,4.0,AB2C_mC8_12_a_i_c:Ag-F-Li +mp-752525,LiAgF2,-4.2484885475,-2.1073793463,0.0926136325,0.0926136325,GGA,C2/c,AB2C_mC32_15_f_2ef_f:Ag-F-Li,16.0,"Invalid WP multiplicities - AB2C_mC32_15_f_4e3f_f:Ag-F-Li, expected LiAgF5 to be LiAgF2" +mp-759658,LiAgF2,-4.2874628375,-2.1463536362,0.0536393425,0.0536393425,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Ag-F-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_19_a_5a_a:Ag-F-Li, expected LiAgF5 to be LiAgF2" +mp-753277,LiAgF2,-4.2897087938,-2.1485995925,0.0513933863,0.0513933863,GGA,Pmn2_1,AB2C_oP8_31_a_2a_a:Ag-F-Li,8.0,"Invalid WP multiplicities - AB2C_oP8_31_a_4a_a:Ag-F-Li, expected LiAgF4 to be LiAgF2" +mp-752882,LiAgF2,-4.2900759706,-2.1489667694,0.0510262094,0.0510262094,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Ag-F-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_33_a_5a_a:Ag-F-Li, expected LiAgF5 to be LiAgF2" +mp-752725,LiAgF2,-4.241576525,-2.1004673238,0.099525655,0.099525655,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-F-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_7c_c:Ag-F-Li, expected LiAgF7 to be LiAgF2" +mp-753299,LiAgF2,-4.2460161169,-2.1049069156,0.0950860631,0.0950860631,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ag-F-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:Ag-F-Li, expected LiAgF5 to be LiAgF2" +mp-758302,LiAgF2,-4.2769887025,-2.1358795012,0.0641134775,0.0641134775,GGA,Cmcm,AB2C_oC16_63_c_ac_c:Ag-F-Li,8.0,AB2C_oC16_63_c_ac_c:Ag-F-Li +mp-758604,LiAgF2,-4.287557665,-2.1464484637,0.053544515,0.053544515,GGA,I-42d,AB2C_tI16_122_a_d_b:Ag-F-Li,8.0,AB2C_tI16_122_a_d_b:Ag-F-Li +mp-753751,LiAgF2,-4.2338477512,-2.09273855,0.1072544288,0.1072544288,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ag-F-Li,8.0,AB2C_tI16_141_a_e_b:Ag-F-Li +mp-1176792,LiAgF2,-4.3176654175,-2.1765562162,0.0234367625,0.0234367625,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-F-Li,4.0,AB2C_hR12_166_a_c_b:Ag-F-Li +mp-752927,LiAgF2,-4.3006397275,-2.1595305263,0.0404624525,0.0404624525,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-F-Li,8.0,AB2C_hP8_194_c_f_a:Ag-F-Li +mp-753279,LiAg5F12,-3.7532070844,-1.5860153904,0.0365914644,0.0365914644,GGA,Cmmm,A5B12C_oC36_65_akl_gjno_c:Ag-F-Li,18.0,"Invalid WP multiplicities - A5B12C_oC36_65_a2kl_2g2jn2o_c:Ag-F-Li, expected LiAg7F20 to be LiAg5F12" +mp-765090,LiMnF3,-6.309294974,-2.9482199618,0.099156376,0.099156376,GGA+U,P-1,A3BC_aP40_2_12i_4i_4i:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_aP40_2_23i_7i_7i:F-Li-Mn, expected Li7Mn7F23 to be LiMnF3" +mp-774399,LiMnF3,-6.3295171656,-2.9684421534,0.0789341844,0.0789341844,GGA+U,P-1,A3BC_aP50_2_15i_5i_5i:F-Li-Mn,50.0,"Invalid WP multiplicities - A3BC_aP50_2_29i_9i_9i:F-Li-Mn, expected Li9Mn9F29 to be LiMnF3" +mp-778633,LiMnF3,-6.3422070053,-2.9811319931,0.0662443447,0.0662443447,GGA+U,P-1,A3BC_aP30_2_9i_3i_3i:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_aP30_2_17i_5i_4i:F-Li-Mn, expected Li5Mn4F17 to be LiMnF3" +mp-778800,LiMnF3,-6.332929427,-2.9718544148,0.075521923,0.075521923,GGA+U,P-1,A3BC_aP30_2_9i_3i_3i:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_aP30_2_17i_5i_5i:F-Li-Mn, expected Li5Mn5F17 to be LiMnF3" +mp-759048,LiMnF3,-6.3400425251,-2.9789675129,0.0684088249,0.0684088249,GGA+U,P-1,A3BC_aP90_2_27i_9i_9i:F-Li-Mn,90.0,"Invalid WP multiplicities - A3BC_aP90_2_53i_17i_17i:F-Li-Mn, expected Li17Mn17F53 to be LiMnF3" +mp-759538,LiMnF3,-6.3370570950000005,-2.9759820828,0.071394255,0.071394255,GGA+U,P-1,A3BC_aP70_2_21i_7i_7i:F-Li-Mn,70.0,"Invalid WP multiplicities - A3BC_aP70_2_41i_13i_13i:F-Li-Mn, expected Li13Mn13F41 to be LiMnF3" +mp-762988,LiMnF3,-6.30946701,-2.9483919978,0.09898434,0.09898434,GGA+U,Cc,A3BC_mC40_9_6a_2a_2a:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_mC40_9_10a_4a_2a:F-Li-Mn, expected Li2MnF5 to be LiMnF3" +mp-777655,LiMnF3,-6.3499353415,-2.9888603293,0.0585160085,0.0585160085,GGA+U,C2/m,A3BC_mC40_12_2i2j_gi_hi:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_mC40_12_4i3j_g2i_h2i:F-Li-Mn, expected Li3Mn3F10 to be LiMnF3" +mp-759032,LiMnF3,-6.3152034588,-2.9541284465,0.0932478913,0.0932478913,GGA+U,P2_1/c,A3BC_mP40_14_6e_2e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_mP40_14_21e_5e_5e:F-Li-Mn, expected Li5Mn5F21 to be LiMnF3" +mp-757275,LiMnF3,-6.3322172173,-2.971142205,0.0762341328,0.0762341328,GGA+U,P2_1/c,A3BC_mP40_14_6e_2e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_mP40_14_23e_3e_3e:F-Li-Mn, expected Li3Mn3F23 to be LiMnF3" +mp-759492,LiMnF3,-6.3687888492,-3.007713837,0.0396625008,0.0396625008,GGA+U,P2_1/c,A3BC_mP40_14_6e_2e_2e:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_mP40_14_23e_3e_7e:F-Li-Mn, expected Li3Mn7F23 to be LiMnF3" +mp-754770,LiMnF3,-6.337088572,-2.9760135598,0.071362778,0.071362778,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_mP20_14_9e_e_e:F-Li-Mn, expected LiMnF9 to be LiMnF3" +mp-779317,LiMnF3,-6.3424844787,-2.9814094664,0.0659668713,0.0659668713,GGA+U,P2_1/c,A3BC_mP60_14_9e_3e_3e:F-Li-Mn,60.0,"Invalid WP multiplicities - A3BC_mP60_14_33e_9e_9e:F-Li-Mn, expected Li3Mn3F11 to be LiMnF3" +mp-1176630,LiMnF3,-6.37883567,-3.0177606578,0.02961568,0.02961568,GGA+U,C2/c,A3BC_mC40_15_3f_f_2e:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_3e:F-Li-Mn, expected Li2Mn3F18 to be LiMnF3" +mp-763362,LiMnF3,-6.330681584,-2.9696065718,0.077769766,0.077769766,GGA+U,Pna2_1,A3BC_oP20_33_3a_a_a:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_33_9a_a_a:F-Li-Mn, expected LiMnF9 to be LiMnF3" +mp-777972,LiMnF3,-6.3812011043,-3.020126092,0.0272502458,0.0272502458,GGA+U,Pna2_1,A3BC_oP40_33_6a_2a_2a:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_oP40_33_21a_5a_5a:F-Li-Mn, expected Li5Mn5F21 to be LiMnF3" +mp-1176634,LiMnF3,-6.321410674,-2.9603356618000003,0.087040676,0.087040676,GGA+U,Cmc2_1,A3BC_oC20_36_ab_a_a:F-Li-Mn,10.0,"Invalid WP multiplicities - A3BC_oC20_36_2a3b_a_a:F-Li-Mn, expected LiMnF8 to be LiMnF3" +mp-778819,LiMnF3,-6.333152574,-2.9720775618,0.075298776,0.075298776,GGA+U,Amm2,A3BC_oC20_38_2a2e_2b_d:F-Li-Mn,10.0,"Invalid WP multiplicities - A3BC_oC20_38_2a4e_2b_d:F-Li-Mn, expected LiMnF5 to be LiMnF3" +mp-1176631,LiMnF3,-6.374038946,-3.0129639338,0.034412404,0.034412404,GGA+U,Pmma,A3BC_oP10_51_ej_f_a:F-Li-Mn,10.0,"Invalid WP multiplicities - A3BC_oP10_51_e2j_f_a:F-Li-Mn, expected LiMnF5 to be LiMnF3" +mp-759093,LiMnF3,-6.3789965685,-3.0179215563,0.0294547815,0.0294547815,GGA+U,Pnna,A3BC_oP20_52_de_c_c:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_52_2d3e_c_c:F-Li-Mn, expected LiMnF8 to be LiMnF3" +mp-777355,LiMnF3,-6.3872151407,-3.0261401285,0.0212362093,0.0212362093,GGA+U,Pccn,A3BC_oP40_56_cd2e_e_e:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_oP40_56_2c2d7e_e_e:F-Li-Mn, expected LiMnF9 to be LiMnF3" +mp-777298,LiMnF3,-6.3597717838,-2.9986967715,0.0486795663,0.0486795663,GGA+U,Pbcn,A3BC_oP40_60_3d_d_2c:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_oP40_60_9d_d_6c:F-Li-Mn, expected LiMn3F9 to be LiMnF3" +mp-777352,LiMnF3,-6.3698282155,-3.0087532033,0.0386231345,0.0386231345,GGA+U,Pbca,A3BC_oP80_61_6c_2c_2c:F-Li-Mn,80.0,"Invalid WP multiplicities - A3BC_oP80_61_21c_5c_5c:F-Li-Mn, expected Li5Mn5F21 to be LiMnF3" +mp-765457,LiMnF3,-6.3687901235,-3.0077151113,0.0396612265,0.0396612265,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:F-Li-Mn, expected LiMnF7 to be LiMnF3" +mp-776951,LiMnF3,-6.3694095065,-3.0083344943,0.0390418435,0.0390418435,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:F-Li-Mn, expected LiMnF7 to be LiMnF3" +mp-778697,LiMnF3,-6.3557032643,-2.994628252,0.0527480858,0.0527480858,GGA+U,Pnma,A3BC_oP40_62_2c2d_d_2c:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_oP40_62_8c5d_d_5c:F-Li-Mn, expected Li2Mn5F18 to be LiMnF3" +mp-764783,LiMnF3,-6.3178712595,-2.9567962473,0.0905800905,0.0905800905,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_2c3d_c_a:F-Li-Mn, expected LiMnF8 to be LiMnF3" +mp-1176632,LiMnF3,-6.364553785,-3.0034787728,0.043897565,0.043897565,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:F-Li-Mn, expected LiMnF7 to be LiMnF3" +mp-758456,LiMnF3,-6.306377044,-2.9453020318,0.102074306,0.102074306,GGA+U,Cmcm,A3BC_oC20_63_cf_c_a:F-Li-Mn,10.0,"Invalid WP multiplicities - A3BC_oC20_63_2cf_c_a:F-Li-Mn, expected LiMnF4 to be LiMnF3" +mp-1176635,LiMnF3,-6.341437138,-2.9803621258,0.067014212,0.067014212,GGA+U,Cmcm,A3BC_oC20_63_cf_a_c:F-Li-Mn,10.0,"Invalid WP multiplicities - A3BC_oC20_63_2c2f_a_c:F-Li-Mn, expected LiMnF6 to be LiMnF3" +mp-1176636,LiMnF3,-6.3329343425,-2.9718593303,0.0755170075,0.0755170075,GGA+U,Cmcm,A3BC_oC40_63_f2g_2c_d:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oC40_63_f4g_4c_d:F-Li-Mn, expected Li2MnF5 to be LiMnF3" +mp-763191,LiMnF3,-6.3054804785,-2.9444054663,0.1029708715,0.1029708715,GGA+U,Ibam,A3BC_oI40_72_3j_f_j:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_oI40_72_5j_f_j:F-Li-Mn, expected LiMnF5 to be LiMnF3" +mp-759042,LiMnF3,-6.3306632355,-2.9695882233,0.0777881145,0.0777881145,GGA+U,P4_2/n,A3BC_tP40_86_3g_g_g:F-Li-Mn,40.0,"Invalid WP multiplicities - A3BC_tP40_86_21g_g_g:F-Li-Mn, expected LiMnF21 to be LiMnF3" +mp-759023,LiMnF3,-6.3462112476,-2.9851362354,0.0622401024,0.0622401024,GGA+U,I4_1/a,A3BC_tI160_88_6f_abcf_def:F-Li-Mn,80.0,"Invalid WP multiplicities - A3BC_tI160_88_31f_2a2b4c5f_3d4e2f:F-Li-Mn, expected Li16Mn11F62 to be LiMnF3" +mp-758779,LiMnF3,-6.3765792773,-3.0155042651,0.0318720727,0.0318720727,GGA+U,P3,A3BC_hP30_143_2a2b2c4d_2d_2a2b2c:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_hP30_165_a2d2g_f_2b2d:F-Li-Mn, expected Li3Mn6F17 to be LiMnF3" +mp-760095,LiMnF3,-6.3146417663,-2.9535667541,0.0938095837,0.0938095837,GGA+U,P-3,A3BC_hP30_147_3g_2cd_ab2d:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_hP30_147_16g_3c2d_ab3d:F-Li-Mn, expected Li5Mn4F48 to be LiMnF3" +mp-763003,LiMnF3,-6.3145152033,-2.9534401911,0.0939361467,0.0939361467,GGA+U,R-3,A3BC_hR90_148_3f_f_f:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_hR90_148_13f_f_f:F-Li-Mn, expected LiMnF13 to be LiMnF3" +mp-752829,LiMnF3,-6.368059022,-3.0069840098,0.040392328,0.040392328,GGA+U,R-3,A3BC_hR30_148_f_c_c:F-Li-Mn,10.0,A3BC_hR30_148_f_c_c:F-Li-Mn +mp-1371141,LiMnF3,-6.376203399,-3.0151283868,0.032247951,0.032247951,GGA+U,P3c1,A3BC_hP30_158_abc2d_d_abc:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_hP30_165_a2d2g_f_2b2d:F-Li-Mn, expected Li3Mn6F17 to be LiMnF3" +mp-756130,LiMnF3,-6.3421939855,-2.9811189733,0.0662573645,0.0662573645,GGA+U,P-31c,A3BC_hP20_163_i_f_ac:F-Li-Mn,20.0,A3BC_hP20_163_i_f_ac:F-Li-Mn +mp-752938,LiMnF3,-6.374343016,-3.0132680038,0.034108334,0.034108334,GGA+U,R-3c,A3BC_hR30_167_e_a_b:F-Li-Mn,10.0,A3BC_hR30_167_e_a_b:F-Li-Mn +mp-779073,LiMnF3,-6.3547667837,-2.9936917714,0.0536845663,0.0536845663,GGA+U,R-3c,A3BC_hR90_167_acf_e_bc:F-Li-Mn,30.0,"Invalid WP multiplicities - A3BC_hR90_167_2a3c6f_e_2bc:F-Li-Mn, expected Li3Mn4F44 to be LiMnF3" +mp-753025,LiMnF3,-6.324031041,-2.9629560288,0.084420309,0.084420309,GGA+U,P6_322,A3BC_hP20_182_i_f_bc:F-Li-Mn,20.0,"Invalid WP multiplicities - A3BC_hP20_182_i_f_b2c:F-Li-Mn, expected Li2Mn3F6 to be LiMnF3" +mp-754676,LiMnF3,-6.383962293,-3.0228872808,0.024489057,0.024489057,GGA+U,P6_322,A3BC_hP10_182_g_b_c:F-Li-Mn,10.0,A3BC_hP10_182_g_b_c:F-Li-Mn +mp-859873,LiMnF3,-6.31590179,-2.9548267778,0.09254956,0.09254956,GGA+U,P6_3/mmc,A3BC_hP10_194_h_c_a:F-Li-Mn,10.0,A3BC_hP10_194_h_c_a:F-Li-Mn +mp-763149,LiMnF3,-6.3758787565,-3.0148037443,0.0325725935,0.0325725935,GGA+U,P2_13,A3BC_cP20_198_b_a_a:F-Li-Mn,20.0,A3BC_cP20_198_b_a_a:F-Li-Mn +mp-776156,LiMnF3,-6.362736642,-3.0016616298,0.045714708,0.045714708,GGA+U,P2_13,A3BC_cP20_198_b_a_a:F-Li-Mn,20.0,A3BC_cP20_198_b_a_a:F-Li-Mn +mp-765413,Li2AgF6,-4.0867705489,-2.0735177109,0.0,-0.0334211193,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ag-F-Li,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_2f3j_e:Ag-F-Li, expected Li2AgF16 to be Li2AgF6" +mp-759632,Li5Mn3F14,-5.8244732858,-2.9248657515,0.0559262505,0.0559262505,GGA+U,Pna2_1,A14B5C3_oP88_33_14a_5a_3a:F-Li-Mn,88.0,"Invalid WP multiplicities - A14B5C3_oP88_33_53a_17a_9a:F-Li-Mn, expected Li17Mn9F53 to be Li5Mn3F14" +mp-774365,LiMn2F5,-6.6975934594,-2.9737999233,0.0439343494,0.0439343494,GGA+U,P-1,A5BC2_aP32_2_10i_2i_4i:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_aP32_2_18i_3i_7i:F-Li-Mn, expected Li3Mn7F18 to be LiMn2F5" +mp-787037,LiMn2F5,-6.2189578644,-2.4951643283,0.5225699444,0.5225699444,GGA+U,P-1,A5BC2_aP32_2_10i_2i_4i:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_aP32_2_18i_3i_7i:F-Li-Mn, expected Li3Mn7F18 to be LiMn2F5" +mp-753032,LiMn2F5,-6.6920409281,-2.9682473921,0.0494868806,0.0494868806,GGA+U,C2/c,A5BC2_mC32_15_e2f_c_f:F-Li-Mn,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_e3f_a_f:F-Li-Mn, expected LiMn2F7 to be LiMn2F5" +mp-759480,LiMn2F5,-6.6852075788,-2.9614140427,0.05632023,0.05632023,GGA+U,P2_1/c,A5BC2_mP32_14_5e_e_2e:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_17e_e_3e:F-Li-Mn, expected LiMn3F17 to be LiMn2F5" +mp-778715,LiMn2F5,-6.6512103875,-2.9274168515000003,0.0903174212,0.0903174212,GGA+U,P2_1/c,A5BC2_mP64_14_10e_2e_4e:F-Li-Mn,64.0,"Invalid WP multiplicities - A5BC2_mP64_14_39e_5e_15e:F-Li-Mn, expected Li5Mn15F39 to be LiMn2F5" +mp-765284,LiMn2F5,-6.6814283028,-2.9576347668,0.0600995059,0.0600995059,GGA+U,C2/c,A5BC2_mC64_15_5f_f_2f:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_mC64_15_15f_f_5f:F-Li-Mn, expected LiMn5F15 to be LiMn2F5" +mp-779085,LiMn2F5,-6.7101963281,-2.9864027921,0.0313314806,0.0313314806,GGA+U,C2/c,A5BC2_mC96_15_e7f_ef_3f:F-Li-Mn,48.0,"Invalid WP multiplicities - A5BC2_mC96_15_2e21f_e2f_5f:F-Li-Mn, expected Li5Mn10F44 to be LiMn2F5" +mp-760293,LiMn2F5,-6.6956400375000005,-2.9718465015,0.0458877712,0.0458877712,GGA+U,C2/c,A5BC2_mC32_15_e2f_a_f:F-Li-Mn,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_2e4f_c_f:F-Li-Mn, expected LiMn2F10 to be LiMn2F5" +mp-777390,LiMn2F5,-6.6513666859,-2.9275731499,0.0901611228,0.0901611228,GGA+U,Pna2_1,A5BC2_oP32_33_5a_a_2a:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_oP32_33_17a_a_5a:F-Li-Mn, expected LiMn5F17 to be LiMn2F5" +mp-774354,LiMn2F5,-6.7026076384,-2.9788141024,0.0389201703,0.0389201703,GGA+U,Pnnm,A5BC2_oP32_58_3gh_g_eg:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_oP32_58_11g2h_g_2e2g:F-Li-Mn, expected LiMn4F15 to be LiMn2F5" +mp-777361,LiMn2F5,-6.6726786341,-2.948885098,0.0688491747,0.0688491747,GGA+U,Pnma,A5BC2_oP32_62_3cd_c_ac:F-Li-Mn,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_9c4d_c_2a2c:F-Li-Mn, expected LiMn4F17 to be LiMn2F5" +mp-763331,LiMn2F5,-6.70435491,-2.980561374,0.0371728987,0.0371728987,GGA+U,Cmcm,A5BC2_oC32_63_c2f_c_f:F-Li-Mn,16.0,"Invalid WP multiplicities - A5BC2_oC32_63_c6f_c_f:F-Li-Mn, expected LiMn2F13 to be LiMn2F5" +mp-758251,Li5AgF8,-4.6008882393,-2.6245309481,0.0364377907,0.0364377907,GGA,R-3m,AB8C5_hR42_166_a_ch_cd:Ag-F-Li,14.0,"Invalid WP multiplicities - AB8C5_hR42_166_a_2c3h_2c2d:Ag-F-Li, expected Li10AgF22 to be Li5AgF8" +mp-760325,Li2Mn2F7,-6.1421498555,-2.9128563018,0.0772183718,0.0772183718,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-Mn,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-Mn, expected Li3Mn3F13 to be Li2Mn2F7" +mp-765055,Li2Mn2F7,-6.1674225036,-2.9381289500000003,0.0519457236,0.0519457236,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-Mn,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-Mn, expected Li3Mn3F13 to be Li2Mn2F7" +mp-759249,Li2Mn2F7,-6.1655249555000005,-2.9362314018,0.0538432718,0.0538432718,GGA+U,P2_1,A7B2C2_mP44_4_14a_4a_4a:F-Li-Mn,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:F-Li-Mn, expected Li7Mn7F27 to be Li2Mn2F7" +mp-759477,Li2Mn2F7,-6.1587435111,-2.9294499575,0.0606247161,0.0606247161,GGA+U,P2_1,A7B2C2_mP44_4_14a_4a_4a:F-Li-Mn,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:F-Li-Mn, expected Li7Mn7F27 to be Li2Mn2F7" +mp-759600,Li2Mn2F7,-6.166472907,-2.9371793534,0.0528953202,0.0528953202,GGA+U,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:F-Li-Mn,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_27e_3e_3e:F-Li-Mn, expected LiMnF9 to be Li2Mn2F7" +mp-753005,Li2Mn2F7,-6.11350561,-2.8842120564,0.1058626173,0.1058626173,GGA+U,C2/c,A7B2C2_mC44_15_e3f_f_f:F-Li-Mn,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_2e11f_f_f:F-Li-Mn, expected LiMnF12 to be Li2Mn2F7" +mp-764861,Li2Mn2F7,-6.1196497636,-2.89035621,0.0997184636,0.0997184636,GGA+U,C2/c,A7B2C2_mC44_15_e3f_f_f:F-Li-Mn,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_2e11f_f_f:F-Li-Mn, expected LiMnF12 to be Li2Mn2F7" +mp-760010,Li2Mn2F7,-6.1347286225,-2.9054350689,0.0846396048,0.0846396048,GGA+U,P2_12_12_1,A7B2C2_oP44_19_7a_2a_2a:F-Li-Mn,44.0,"Invalid WP multiplicities - A7B2C2_oP44_19_25a_5a_5a:F-Li-Mn, expected LiMnF5 to be Li2Mn2F7" +mp-764189,Li3Mn2F7,-6.1349964725,-3.0157338094,0.051403905,0.051403905,GGA+U,Cc,A7B3C2_mC48_9_7a_3a_2a:F-Li-Mn,24.0,"Invalid WP multiplicities - A7B3C2_mC48_15_2e11f_a2f_f:F-Li-Mn, expected Li5Mn2F24 to be Li3Mn2F7" +mp-759844,Li6MnF8,-5.4512362087,-3.0574105932,0.0690112513,0.0690112513,GGA+U,Fm-3m,A8B6C_cF60_225_ce_d_a:F-Li-Mn,15.0,"Invalid WP multiplicities - A8B6C_cF60_225_c2e_d_a:F-Li-Mn, expected Li6MnF14 to be Li6MnF8" +mp-777320,Li3Mn4F19,-5.6205187079000005,-2.5938675482,0.0483349072,0.0483349072,GGA+U,P-1,A19B3C4_aP52_2_19i_3i_4i:F-Li-Mn,52.0,"Invalid WP multiplicities - A19B3C4_aP52_2_37i_5i_7i:F-Li-Mn, expected Li5Mn7F37 to be Li3Mn4F19" +mp-760229,Li2MnF6,-5.5580562119,-2.8415301196,0.026385913,-0.0447420475,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-Mn,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-Mn +mp-753601,Li2MnF6,-5.5485871328,-2.8320610405,0.035854992,-0.0352729685,GGA+U,Pc,A6B2C_mP18_7_6a_2a_a:F-Li-Mn,18.0,"Invalid WP multiplicities - A6B2C_mP18_7_12a_4a_a:F-Li-Mn, expected Li4MnF12 to be Li2MnF6" +mp-759140,Li2MnF6,-5.5758133922,-2.8592873,0.0086287326,-0.0624992279,GGA+U,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-Mn,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_21e_7e_e:F-Li-Mn, expected Li7MnF21 to be Li2MnF6" +mp-758657,Li2MnF6,-5.4891884083,-2.7726623161,0.0952537165,0.024125756,GGA+U,C2/c,A6B2C_mC36_15_3f_f_e:F-Li-Mn,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_9f_f_e:F-Li-Mn, expected Li2MnF18 to be Li2MnF6" +mp-17754,Li2MnF6,-5.5529190748,-2.8363929825,0.03152305,-0.0396049105,GGA+U,P-3m1,A6B2C_hP27_164_3i_g_ad:F-Li-Mn,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_8i_g_ad:F-Li-Mn, expected Li2MnF16 to be Li2MnF6" +mp-754648,Li2MnF6,-5.5259613406,-2.8094352483,0.0584807843,-0.0126471763,GGA+U,P4/mnc,A6B2C_tP18_128_eh_d_a:F-Li-Mn,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_2e3h_d_a:F-Li-Mn, expected Li2MnF16 to be Li2MnF6" +mp-754966,Li2MnF6,-5.5842205656,-2.8676944733000003,0.0002215593,-0.0709064013,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Mn,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2f3j_e_a:F-Li-Mn, expected Li2MnF16 to be Li2MnF6" +mp-756079,Li2MnF6,-5.5708947628,-2.8543686705,0.013547362,-0.0575805985,GGA+U,P-3,A6B2C_hP18_147_2g_abd_d:F-Li-Mn,18.0,"Invalid WP multiplicities - A6B2C_hP18_147_9g_ab2d_d:F-Li-Mn, expected Li3MnF27 to be Li2MnF6" +mp-752936,Li2MnF6,-5.5844421248,-2.8679160325,0.0,-0.0711279605,GGA+U,P321,A6B2C_hP27_150_3g_ef_ad:F-Li-Mn,27.0,"Invalid WP multiplicities - A6B2C_hP27_150_15g_3e2f_a2d:F-Li-Mn, expected Li3MnF18 to be Li2MnF6" +mp-752557,Li2MnF6,-5.5579607789,-2.8414346866,0.0264813459,-0.0446466146,GGA+U,P-31m,A6B2C_hP9_162_k_c_b:F-Li-Mn,9.0,A6B2C_hP9_162_k_c_b:F-Li-Mn +mp-758464,Li2MnF6,-5.5037783322,-2.78725224,0.0806637926,0.0095358321,GGA+U,P-3m1,A6B2C_hP9_164_i_d_a:F-Li-Mn,9.0,A6B2C_hP9_164_i_d_a:F-Li-Mn +mp-752752,LiMnF6,-5.18230618,-2.3648296845,0.0,-0.0021169812,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Li-Mn,8.0,A6BC_hR24_148_f_a_b:F-Li-Mn +mp-9197,Li3AsO4,-6.0426253612,-2.27104513,0.0,-0.2555376081,GGA,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:As-Li-O,16.0,AB3C4_oP16_31_a_ab_2ab:As-Li-O +mp-1222598,Li3AsO4,-6.0389045134,-2.2673242822,0.0037208478,-0.2518167603,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-Li-O,32.0,AB3C4_oP32_62_c_cd_2cd:As-Li-O +mp-1102163,Li8AsO3,-4.3122047458,-1.4146574565,0.2910306513,0.2910306513,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:As-Li-O,12.0,AB8C3_cP12_221_a_g_c:As-Li-O +mp-30299,RbAsO2,-5.7498434881,-1.8665860131,0.0,-0.4228338822,GGA,Pbcm,AB2C_oP16_57_d_cd_d:As-O-Rb,16.0,AB2C_oP16_57_d_cd_d:As-O-Rb +mp-1095542,RbLi2O3,-4.4624065733,-1.1893322501,0.3282330017,0.3282330017,GGA,P2_1/m,A2B3C_mP12_11_f_3e_e:Li-O-Rb,12.0,A2B3C_mP12_11_f_3e_e:Li-O-Rb +mp-28545,RbLiO,-4.2085857725,-1.5965372224,0.0012700192,0.0012700192,GGA,Pnma,ABC_oP12_62_c_c_c:Li-O-Rb,12.0,ABC_oP12_62_c_c_c:Li-O-Rb +mp-975425,RbAsO3,-5.457235226,-1.3612915038,0.2054264536,0.2054264536,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-O-Rb,5.0,AB3C_cP5_221_b_c_a:As-O-Rb +mp-1103058,Rb8AsO3,-3.0844041033,-0.8057826768,0.1325970909,0.1325970909,GGA,Pm-3m,AB3C8_cP12_221_a_c_g:As-O-Rb,12.0,AB3C8_cP12_221_a_c_g:As-O-Rb +mp-1209263,RbAsO4,-5.5692752208,-1.3315406671,0.0352652531,0.0352652531,GGA,I-42d,AB4C_tI24_122_a_e_b:As-O-Rb,12.0,AB4C_tI24_122_a_e_b:As-O-Rb +mp-975291,RbLiO3,-4.24320535,-0.6973007354,0.546886913,0.546886913,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Rb,5.0,AB3C_cP5_221_b_c_a:Li-O-Rb +mp-559767,LiAsO3,-6.233445392,-1.9518239109,0.035774917,-0.0119154532,GGA,C2/c,ABC3_mC40_15_f_2e_3f:As-Li-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_4e_12f:As-Li-O, expected Li2AsO12 to be LiAsO3" +mp-9657,LiAsO3,-6.269220309,-1.9875988279,0.0,-0.0476903702,GGA,R-3,ABC3_hR30_148_c_c_f:As-Li-O,10.0,ABC3_hR30_148_c_c_f:As-Li-O +mp-14363,Rb2LiAsO4,-5.6491453831000005,-2.1096623504,0.0,-0.3192420667,GGA,Cmc2_1,ABC4D2_oC32_36_a_a_2ab_2a:As-Li-O-Rb,16.0,"Invalid WP multiplicities - ABC4D2_oC32_36_a_a_2a2b_2a:As-Li-O-Rb, expected Rb2LiAsO6 to be Rb2LiAsO4" +mp-16673,SmMo5O8,-8.8340486579,-1.7968810596,0.310768909,0.310768909,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Mo-O-Sm,56.0,A5B8C_mP56_14_5e_8e_e:Mo-O-Sm +mp-732041,Mo3Br6O,-5.3137560535,-0.6335751514,0.5822007412,0.5822007412,GGA+U,I4/m,A6B3C_tI40_87_hi_eh_e:Br-Mo-O,20.0,A6B3C_tI40_87_hi_eh_e:Br-Mo-O +mp-1221539,MoBr3O,-5.2921507215,-1.2018659593,0.0,-0.072025414,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:Br-Mo-O,20.0,A3BC_mP20_14_3e_e_e:Br-Mo-O +mp-1194049,SmMoBrO4,-7.8740760382,-2.6020732639,0.0,-0.0259220501,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Sm,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Sm +mp-1209026,SmMoO5,-8.2194157721,-2.462604372,0.1430947251,0.1430947251,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Mo-O-Sm,28.0,AB5C_mP28_14_e_5e_e:Mo-O-Sm +mp-1179557,Sm2Mo8O45,-6.7042723967,-0.9078475757,0.6089600555,0.6089600555,GGA+U,P-1,A8B45C2_aP55_2_4i_a22i_i:Mo-O-Sm,55.0,A8B45C2_aP55_2_4i_a22i_i:Mo-O-Sm +mp-16679,Sm2Mo4O15,-8.554100207,-2.5055238556,0.0,-0.0119262017,GGA+U,P-1,A4B15C2_aP63_2_6i_a22i_3i:Mo-O-Sm,63.0,"Invalid WP multiplicities - A4B15C2_aP63_2_6i_a25i_3i:Mo-O-Sm, expected Sm2Mo4O17 to be Sm2Mo4O15" +mp-1207282,Sm2Br2O,-5.002475256,-1.5044917277,1.1281631807,1.1281631807,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Sm,5.0,A2BC2_tP5_123_g_a_g:Br-O-Sm +mp-16386,Sm4Mo4O11,-8.7751024916,-2.6345487651,0.2154327983,0.2154327983,GGA+U,Pbam,A4B11C4_oP76_55_ghi_e2g2h3i_2g2h:Mo-O-Sm,76.0,"Invalid WP multiplicities - A4B11C4_oP76_55_ghi_e2g4h5i_2g2h:Mo-O-Sm, expected Sm4Mo4O17 to be Sm4Mo4O11" +mp-554768,Sm4Br6O,-5.1209961114,-2.1083412722,0.2320448311,0.2320448311,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Br-O-Sm,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_10c_b_2b3c:Br-O-Sm, expected Sm11Br30O to be Sm4Br6O" +mp-29327,SmBrO,-7.07877819,-3.3393437979,0.0,-0.1449761688,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Sm,6.0,ABC_tP6_129_c_a_c:Br-O-Sm +mp-28454,Sm(Mo4O7)2,-8.8422269441,-1.8536430758,0.2206495337,0.2206495337,GGA+U,Aea2,A8B14C_oC92_41_4b_2a6b_a:Mo-O-Sm,46.0,"Invalid WP multiplicities - A8B14C_oC92_41_7b_2a10b_a:Mo-O-Sm, expected Sm(Mo7O11)2 to be Sm(Mo4O7)2" +mp-17591,Sm2MoO6,-8.6954537022,-3.1440142969,0.0,-0.059177094,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Sm,36.0,AB6C2_mC72_15_f_6f_2ef:Mo-O-Sm +mp-1080460,Mo(BrO)2,-6.19572472,-1.4267078815,0.0,-0.0555644331,GGA+U,Cc,A2BC2_mC20_9_2a_a_2a:Br-Mo-O,10.0,A2BC2_mC20_9_2a_a_2a:Br-Mo-O +mp-705801,Sm3MoO7,-8.761487238,-3.3407391022,0.0,-0.0169948196,GGA+U,P2_12_12_1,AB7C3_oP44_19_a_7a_3a:Mo-O-Sm,44.0,"Invalid WP multiplicities - AB7C3_oP44_19_a_25a_9a:Mo-O-Sm, expected Sm9MoO25 to be Sm3MoO7" +mp-1209442,Sm7(BrO6)3,-6.4751021145,-1.9490455167,0.5275695091,0.5275695091,GGA,P6_3/m,A3B18C7_hP56_176_h_6h_c2h:Br-O-Sm,56.0,A3B18C7_hP56_176_h_6h_c2h:Br-O-Sm +mp-560690,Sm2(MoO4)3,-8.5881078341,-2.6272615321,0.0,-0.0090628927,GGA+U,C2/c,A3B12C2_mC68_15_ef_6f_f:Mo-O-Sm,34.0,"Invalid WP multiplicities - A3B12C2_mC68_15_ef_22f_f:Mo-O-Sm, expected Sm2Mo3O44 to be Sm2(MoO4)3" +mp-698594,Sm2Mo2O7,-8.4974360209,-2.5196820692,0.3632046068,0.3509693181,GGA+U,Pmn2_1,A2B7C2_oP44_31_2ab_6a4b_2ab:Mo-O-Sm,44.0,"Invalid WP multiplicities - A2B7C2_oP44_62_3a3c_12c10d_2b2c:Mo-O-Sm, expected Sm2Mo3O16 to be Sm2Mo2O7" +mp-937740,Sm2Mo2O7,-8.4966585741,-2.5189046224,0.3639820536,0.3517467649,GGA+U,Pnma,A2B7C2_oP44_62_ac_3c2d_bc:Mo-O-Sm,44.0,"Invalid WP multiplicities - A2B7C2_oP44_62_3a3c_12c10d_2b2c:Mo-O-Sm, expected Sm2Mo3O16 to be Sm2Mo2O7" +mp-554770,Sm2Mo2O7,-8.8606406277,-2.882886676,0.0,-0.0122352887,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mo-O-Sm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Mo-O-Sm, expected SmMoO10 to be Sm2Mo2O7" +mp-1219287,Sm2Mo2O7,-8.4974790909,-2.5197251392,0.3631615368,0.3509262481,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Mo-O-Sm,22.0,A2B7C2_cF88_227_c_af_d:Mo-O-Sm +mp-973579,FePbO3,-6.761996208,-1.3574493252,0.1982501863,0.1982501863,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Pb,5.0,AB3C_cP5_221_b_c_a:Fe-O-Pb +mp-726277,PbBr2O7,-4.5476941285,-0.4031416576,0.2043600041,0.2043600041,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Br-O-Pb,20.0,A2B7C_mC40_15_f_e3f_e:Br-O-Pb +mp-622491,Pb13(Br3O5)2,-5.1801234503,-1.4887624503,0.0,-0.0065928577,GGA,C2/c,A6B10C13_mC116_15_3f_5f_e6f:Br-O-Pb,58.0,"Invalid WP multiplicities - A6B10C13_mC116_15_8f_17f_2e21f:Br-O-Pb, expected Pb22Br8O17 to be Pb13(Br3O5)2" +mp-1102225,PbBrO,-4.3084434517,-0.9043220812,0.4205868254,0.4205868254,GGA,Pnma,ABC_oP12_62_c_c_c:Br-O-Pb,12.0,ABC_oP12_62_c_c_c:Br-O-Pb +mp-754665,Pb(BrO3)2,-4.7304280683,-0.6750018464,0.0,-0.1120446624,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Br-O-Pb,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_11f_e:Br-O-Pb, expected Pb(BrO11)2 to be Pb(BrO3)2" +mp-769016,Pb(BrO3)2,-4.7067067889,-0.6512805669,0.0237212794,-0.0883233829,GGA,Pbcn,A2B6C_oP36_60_d_3d_c:Br-O-Pb,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_d_9d_c:Br-O-Pb, expected Pb(BrO9)2 to be Pb(BrO3)2" +mp-505284,Pb3(BrO)2,-4.9351115729,-1.4869151025,0.0,-0.0200290129,GGA,Pnma,A2B2C3_oP28_62_2c_d_3c:Br-O-Pb,28.0,A2B2C3_oP28_62_2c_d_3c:Br-O-Pb +mp-1226049,Fe3(BrO2)8,-4.6838253581,-0.35118426,0.2886393771,0.2886393771,GGA+U,P-1,A8B3C16_aP27_2_4i_bcd_8i:Br-Fe-O,27.0,"Invalid WP multiplicities - A8B3C16_aP27_2_8i_bcd_16i:Br-Fe-O, expected Fe3(BrO2)16 to be Fe3(BrO2)8" +mp-1193975,Pb3BrO3,-5.2004003221,-1.2673952259,0.199916415,0.199916415,GGA,Pmc2_1,AB3C3_oP28_26_ab_ab2c_3a3b:Br-O-Pb,28.0,AB3C3_oP28_26_ab_ab2c_3a3b:Br-O-Pb +mp-1199651,Fe12PbO19,-7.8311575297,-1.6017829327,0.0911879153,0.0911879153,GGA+U,Cmcm,A12B19C_oC128_63_ac3fh_c4fg2h_c:Fe-O-Pb,64.0,A12B19C_hP64_194_ab2fk_efh2k_c:Fe-O-Pb +mp-555778,Fe12PbO19,-7.834035077,-1.6046604800000002,0.0883103679,0.0883103679,GGA+U,P6_3/mmc,A12B19C_hP64_194_ab2fk_efh2k_c:Fe-O-Pb,64.0,"Invalid WP multiplicities - A12B19C_hP64_194_2a2b6f7k_4e3f6h16k_c:Fe-O-Pb, expected Fe58PbO128 to be Fe12PbO19" +mp-28041,Pb9(Br5O2)2,-4.4138095717,-1.4255112337,0.0075633188,0.0075633188,GGA,P4/n,A10B4C9_tP46_85_ac2g_g_c2g:Br-O-Pb,46.0,A10B4C9_tP46_85_ac2g_g_c2g:Br-O-Pb +mp-1199533,Pb7(BrO4)2,-5.3479040238,-1.3086042685,0.1292691818,0.1292691818,GGA,P2_1,A2B8C7_mP34_4_2a_8a_7a:Br-O-Pb,34.0,A2B8C7_mP34_4_2a_8a_7a:Br-O-Pb +mp-1212776,Fe3Pb4BrO8,-6.6046772844,-1.5179779137,0.0691184582,0.0691184582,GGA+U,P4/mmm,AB3C8D4_tP16_123_a_bg_egi_2h:Br-Fe-O-Pb,16.0,AB3C8D4_tP16_123_a_bg_egi_2h:Br-Fe-O-Pb +mp-1025265,Cs2CuF4,-4.4202958929000005,-2.4865919951,0.0,-0.0015101381,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Cs-Cu-F,7.0,A2BC4_tI14_139_e_a_ce:Cs-Cu-F +mp-505031,Cs4Cu3F10,-4.4594354135,-2.4009636975,0.0,-0.0028787045,GGA,C2/m,A4B3C10_mC34_12_2i_ai_f2ij:Cs-Cu-F,17.0,"Invalid WP multiplicities - A4B3C10_mC34_12_2i_ai_e4i3j:Cs-Cu-F, expected Cs4Cu3F22 to be Cs4Cu3F10" +mp-572903,CsCu2F5,-4.5050943175,-2.1736929988,0.0,-0.0429795964,GGA,P2_1/c,AB2C5_mP32_14_e_abe_5e:Cs-Cu-F,32.0,"Invalid WP multiplicities - AB2C5_mP32_14_e_2ad2e_17e:Cs-Cu-F, expected Cs2Cu7F34 to be CsCu2F5" +mp-573073,Cs7Cu6F19,-4.4684547894,-2.3690436329,0.0,-0.0021705403,GGA,P2_1/c,A7B6C19_mP64_14_a3e_3e_c9e:Cs-Cu-F,64.0,"Invalid WP multiplicities - A7B6C19_mP64_14_2a10e_11e_2c34e:Cs-Cu-F, expected Cs11Cu11F35 to be Cs7Cu6F19" +mp-540921,CsCuF4,-4.3419940017,-2.2352398497,0.0,-0.0302127539,GGA,I4/mcm,ABC4_tI24_140_a_d_l:Cs-Cu-F,12.0,ABC4_tI24_140_a_d_l:Cs-Cu-F +mp-28936,CsMoF7,-5.539185861,-2.7479186105,0.0,-0.101191709,GGA+U,Pa-3,AB7C_cP72_205_ab_c2d_c:Cs-F-Mo,72.0,AB7C_cP72_205_ab_c2d_c:Cs-F-Mo +mp-908109,CuMoF6,-2.7543755688,0.5473407544000001,2.93542125,2.9079347284,GGA+U,P-1,AB6C_aP8_2_b_3i_d:Cu-F-Mo,8.0,AB6C_aP8_2_b_3i_d:Cu-F-Mo +mp-19859,CuMoF6,-5.6897968188,-2.3880804956,0.0,-0.0274865216,GGA+U,P-1,AB6C_aP8_2_b_3i_e:Cu-F-Mo,8.0,AB6C_aP8_2_b_3i_e:Cu-F-Mo +mp-556093,CuMoF6,-5.6532638675,-2.3515475444,0.0365329513,0.0090464297,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cu-F-Mo,8.0,AB6C_hR24_148_a_f_b:Cu-F-Mo +mp-28692,Cs2CuF6,-4.2110440944,-2.2822790701,0.0,-0.1604338292,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Cs-Cu-F,9.0,A2BC6_cF36_225_c_a_e:Cs-Cu-F +mp-14581,CsCu2F6,-4.4125184011,-2.1277751214,0.0,-0.0333019678,GGA,Fd-3m,AB2C6_cF72_227_a_d_f:Cs-Cu-F,18.0,AB2C6_cF72_227_a_d_f:Cs-Cu-F +mp-1110738,Rb2NaTaI6,-3.555230581,-1.1570736642,0.1444595077,0.1444595077,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Ta +mp-1111340,NaLi2TaF6,-5.522098478,-2.6753962318,0.5316149507,0.5316149507,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ta +mp-631339,Na2LiTa,-2.86977633,1.2331614409,1.2331614409,1.2331614409,GGA,F-43m,AB2C_cF16_216_a_bc_d:Li-Na-Ta,4.0,AB2C_cF16_216_a_bc_d:Li-Na-Ta +mp-1080679,LiTaF6,-6.7338635262,-3.5794167385,0.0038605338,-0.107635295,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Ta,8.0,A6BC_hR24_148_f_a_b:F-Li-Ta +mp-1206962,LiTaF6,-6.73772406,-3.5832772723,0.0,-0.1114958287,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Li-Ta,8.0,A6BC_cF32_225_e_a_b:F-Li-Ta +mp-1111519,Na3TaF6,-5.522502058,-2.7930793265,0.3332561535,0.3332561535,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Ta,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Ta +mp-1211531,Li3TaF6,-5.814530973,-2.9091889695,0.3304375282,0.3304375282,GGA,P-1,A6B3C_aP10_2_3i_ach_b:F-Li-Ta,10.0,A6B3C_aP10_2_3i_ach_b:F-Li-Ta +mp-1236870,Li3TaF6,-5.724152006,-2.8188100025,0.4208164952,0.4208164952,GGA,P-1,A6B3C_aP10_2_3i_aef_b:F-Li-Ta,10.0,A6B3C_aP10_2_3i_aef_b:F-Li-Ta +mp-1111281,Li3TaF6,-5.644795357,-2.7394533535,0.5001731442,0.5001731442,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Ta,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Ta +mp-17245,Na3TaF8,-5.9557268638,-3.3626280929,0.0,-0.1065077863,GGA,C2/c,A8B3C_mC48_15_4f_af_e:F-Na-Ta,24.0,A8B3C_mC48_15_4f_af_e:F-Na-Ta +mp-31484,K4GaAu8,-2.9288388762,-0.339550583,0.0,-0.0287505584,GGA,C2/m,A8BC4_mC52_12_ad3i2j_i_4i:Au-Ga-K,26.0,A8BC4_mC52_12_ac3i2j_i_4i:Au-Ga-K +mp-1112070,K2GaAuBr6,-3.107976192,-1.3238816023,0.1623094979,0.1623094979,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Ga-K +mp-1114159,Rb3AsI6,-2.809633151,-1.1655412788,0.0749144195,0.0749144195,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-I-Rb,10.0,AB6C3_cF40_225_a_e_bc:As-I-Rb +mp-1114153,Rb3InI6,-2.743168512,-1.2898201073,0.1050161757,0.1050161757,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:I-In-Rb,10.0,A6BC3_cF40_225_e_a_bc:I-In-Rb +mp-28198,RbInI4,-2.7815586161,-1.1772780824,0.0,-0.056306574,GGA,R3c,A4BC_hR108_161_4b_b_b:I-In-Rb,36.0,A4BC_hR108_161_4b_b_b:I-In-Rb +mp-1114161,RbInI3,-2.760979151,-1.1305157805,0.0563835452,0.0563835452,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:I-In-Rb,10.0,A3BC_cF40_225_e_ab_c:I-In-Rb +mp-1114134,Rb2InAsI6,-2.8432755380000003,-1.0220687,0.0977833822,0.0977833822,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-I-In-Rb +mp-569764,RbCu2I3,-3.0845012879,-0.8179935442,0.0013284454,0.0013284454,GGA,Pnma,A2B3C_oP24_62_d_3c_c:Cu-I-Rb,24.0,"Invalid WP multiplicities - A2B3C_oP24_62_d_8c_c:Cu-I-Rb, expected Rb(CuI4)2 to be RbCu2I3" +mp-1103650,RbCu2I3,-3.0798849258,-0.8133771821,0.0059448075,0.0059448075,GGA,Cmcm,A2B3C_oC24_63_e_cg_c:Cu-I-Rb,12.0,A2B3C_oC24_63_e_cg_c:Cu-I-Rb +mp-1180180,RbCu2I3,-1.180196165,1.0863115787,1.9056335683,1.9056335683,GGA,Cmcm,A2B3C_oC24_63_e_cg_c:Cu-I-Rb,12.0,"Invalid WP multiplicities - A2B3C_oC24_63_e_2c2g_c:Cu-I-Rb, expected Rb(CuI3)2 to be RbCu2I3" +mp-1110762,Rb2CuSbI6,-2.883704668,-0.9807572525,0.067808449,0.067808449,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Sb +mp-997394,NbAgF6,-5.931328705,-2.880986849,0.0,-0.0544491887,GGA,P4_2/mcm,AB6C_tP16_132_b_io_c:Ag-F-Nb,16.0,"Invalid WP multiplicities - AB6C_tP16_132_b_i2o_c:Ag-F-Nb, expected NbAgF10 to be NbAgF6" +mp-8994,Rb2NbF6,-5.8515780967,-3.2369950978,0.0,-0.1495254634,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Nb-Rb,9.0,A6BC2_hP9_164_i_a_d:F-Nb-Rb +mp-1113826,Rb3NbF6,-5.407344708,-2.9561666018,0.0911666317,0.0911666317,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Nb-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Nb-Rb +mp-867844,RbAgF3,-3.92832923,-2.0188238343,0.113237457,-0.004962553,GGA,Cmmm,AB3C_oC10_65_c_bf_a:Ag-F-Rb,5.0,AB3C_oC10_65_c_bf_a:Ag-F-Rb +mp-7767,RbAgF3,-4.041566687,-2.1320612913,0.0,-0.11820001,GGA,I4/mcm,AB3C_tI20_140_d_bh_a:Ag-F-Rb,10.0,AB3C_tI20_140_d_bh_a:Ag-F-Rb +mp-1055491,RbAgF3,-4.040123524,-2.1306181283,0.001443163,-0.116756847,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-F-Rb,5.0,AB3C_cP5_221_b_c_a:Ag-F-Rb +mp-1110605,Rb2NbAgF6,-5.259301425,-2.6229211257,0.2903744623,0.2903744623,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Nb-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Nb-Rb +mp-1212541,Rb3NbF12,-4.656580645,-2.4077897158,0.1183117394,0.1183117394,GGA,C2/m,A12BC3_mC32_12_3j_a_ce:F-Nb-Rb,16.0,"Invalid WP multiplicities - A12BC3_mC32_12_10j_c_be:F-Nb-Rb, expected Rb3NbF40 to be Rb3NbF12" +mp-1181918,Cs3Li2I5,-3.006014437,-1.618925977,0.016587095,0.016587095,GGA,C2/m,A3B5C2_mC40_12_3i_5i_2i:Cs-I-Li,20.0,"Invalid WP multiplicities - A3B5C2_mC40_12_5i_9i_2i:Cs-I-Li, expected Cs5Li2I9 to be Cs3Li2I5" +mp-569238,Cs3LiI4,-2.9753498931,-1.6642754703,0.0182039956,0.0182039956,GGA,P2_1/m,A3B4C_mP16_11_a2e_2ef_e:Cs-I-Li,16.0,"Invalid WP multiplicities - A3B4C_mP16_11_2a4e_4e2f_e:Cs-I-Li, expected Cs6LiI8 to be Cs3LiI4" +mp-1184020,CsLi3I4,-3.0793938456,-1.5149392991,0.0109855206,0.0109855206,GGA,Pm,AB4C3_mP16_6_2a_3a5b_3a3b:Cs-I-Li,16.0,AB4C3_mP16_6_2a_3a5b_3a3b:Cs-I-Li +mp-569055,CsLi2I3,-3.0569059283,-1.5346814024,0.0173358583,0.0173358583,GGA,P-4m2,AB3C2_tP6_115_b_ce_g:Cs-I-Li,6.0,AB3C2_tP6_115_b_ce_g:Cs-I-Li +mp-1112838,Cs2LiBiI6,-2.950134803,-1.3120933189,0.03142152,0.03142152,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Li,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Li +mp-1112977,Cs3BiI6,-2.878000459,-1.3413110244,0.064825673,0.064825673,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Bi-Cs-I,10.0,AB3C6_cF40_225_a_bc_e:Bi-Cs-I +mp-1103949,Cs2LiI3,-2.996127045,-1.6428226015,0.0135644233,0.0135644233,GGA,Cmc2_1,A2B3C_oC24_36_2a_3a_a:Cs-I-Li,12.0,A2B3C_oC24_36_2a_3a_a:Cs-I-Li +mp-669458,Cs3Bi2I9,-2.9418339814000003,-1.2541566581,0.0,-0.0328277993,GGA,C2/c,A2B3C9_mC56_15_f_ef_e4f:Bi-Cs-I,28.0,"Invalid WP multiplicities - A2B3C9_mC56_15_f_2e2f_2e11f:Bi-Cs-I, expected Cs3BiI12 to be Cs3Bi2I9" +mp-624214,Cs3Bi2I9,-2.9406163357,-1.2529390124,0.0012176457,-0.0316101536,GGA,P6_3/mmc,A2B3C9_hP28_194_f_bf_hk:Bi-Cs-I,28.0,"Invalid WP multiplicities - A2B3C9_hP28_194_f_2b2f_5h6k:Bi-Cs-I, expected Cs6Bi2I51 to be Cs3Bi2I9" +mp-608311,Cs2Li3I5,-3.04984525,-1.5614047406,0.011486473,0.011486473,GGA,C2,A2B5C3_mC20_5_c_a2c_bc:Cs-I-Li,10.0,A2B5C3_aP10_1_2a_5a_3a:Cs-I-Li +mp-1080534,Cs2Li3I5,-3.049878993,-1.5614384836,0.01145273,0.01145273,GGA,C2/m,A2B5C3_mC20_12_i_a2i_di:Cs-I-Li,10.0,A2B5C3_mC20_12_i_a2i_ci:Cs-I-Li +mp-1190087,CsLiI2,-3.0182123006,-1.5804478159,0.0237543269,0.0237543269,GGA,Cmc2_1,AB2C_oC32_36_2a_4a_2a:Cs-I-Li,16.0,AB2C_oC32_36_2a_4a_2a:Cs-I-Li +mp-1206134,Ba2CdOsO6,-6.794456515,-2.2276225813,0.0,-0.0279794096,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-Os +mp-1016882,CdOsO3,-6.441248956,-1.0431842913,0.3595730852,0.3595730852,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Os,5.0,AB3C_cP5_221_a_c_b:Cd-O-Os +mp-7899,BaCdO2,-5.3304213719,-2.1466108412,0.0,-0.0517975594,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ba-Cd-O,16.0,ABC2_oP16_62_c_c_2c:Ba-Cd-O +mp-5950,Cd2Os2O7,-6.8269504414,-1.4699199542,0.0,-0.0760670723,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Os,22.0,A2B7C2_cF88_227_c_af_d:Cd-O-Os +mp-1183292,BaCdO3,-5.182268728,-1.6458825613,0.202881038,0.202881038,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Cd-O,5.0,ABC3_cP5_221_a_b_c:Ba-Cd-O +mp-15558,Li3GaF6,-5.1393744683,-3.1170006256,0.0,-0.0456560353,GGA,C2/c,A6BC3_mC120_15_9f_af_e4f:F-Ga-Li,60.0,"Invalid WP multiplicities - A6BC3_mC120_15_16f_cf_e5f:F-Ga-Li, expected Li11Ga3F32 to be Li3GaF6" +mp-1111076,Li3GaF6,-4.945922112,-2.9235482692,0.1934523563,0.147796321,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-Li,10.0,A6BC3_cF40_225_e_a_bc:F-Ga-Li +mp-3201,Li2GaPd,-3.553451245,-0.5469953535000001,0.0,-0.0730459383,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Li-Pd,4.0,AB2C_cF16_216_a_bc_d:Ga-Li-Pd +mp-5159,LiGa2Pd,-3.81303256,-0.5267833796,0.0,-0.0378604656,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ga-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Ga-Li-Pd +mp-9245,LiGaPdF6,-4.8804217544,-2.4820023651,0.0077485309,0.0077485309,GGA,P-31c,A6BCD_hP18_163_i_c_d_b:F-Ga-Li-Pd,18.0,A6BCD_hP18_163_i_c_d_b:F-Ga-Li-Pd +mp-867198,LiGaPd2,-4.5285672875,-0.7043716602,0.0,-0.1263833721,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Pd +mp-1195020,PrTl(PSe3)2,-4.8300522998,-0.9354900217,0.0,-0.0512465644,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:P-Pr-Se-Tl,40.0,A2BC6D_mP40_14_2e_e_6e_e:P-Pr-Se-Tl +mp-1060982,CsB,-1.64174356,2.1456535115,2.1456535115,2.1456535115,GGA,Fm-3m,AB_cF8_225_a_b:B-Cs,2.0,AB_cF8_225_a_b:B-Cs +mp-1198415,Cs4(BSe)9,-5.1208851302,-0.7954606427,0.0,-0.1517799933,GGA,P-1,A9B4C9_aP44_2_9i_4i_9i:B-Cs-Se,44.0,A9B4C9_aP44_2_9i_4i_9i:B-Cs-Se +mp-1202194,Cs2Hg(BSe)9,-5.1105170748,-0.6499354393,0.0,-0.0790910409,GGA,P-1,A9B2CD9_aP42_2_9i_2i_i_9i:B-Cs-Hg-Se,42.0,A9B2CD9_aP42_2_9i_2i_i_9i:B-Cs-Hg-Se +mp-573358,CsBSe3,-4.4690228445,-0.8565171293,0.0,-0.0043980506,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:B-Cs-Se,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_10e:B-Cs-Se, expected CsBSe10 to be CsBSe3" +mp-1196535,Cs3B3Se10,-4.4460532025,-0.8408346272,0.0,-0.0138423874,GGA,P-1,A3B3C10_aP32_2_3i_3i_10i:B-Cs-Se,32.0,A3B3C10_aP32_2_3i_3i_10i:B-Cs-Se +mp-760690,Li8TeO6,-5.17622636,-1.9699049537,0.0938466405,0.0938466405,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Te,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-O-Te, expected Li14TeO6 to be Li8TeO6" +mp-27811,Li2Te2O5,-5.7210627689,-1.8501848715,0.0,-0.0036667107,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Li-O-Te,36.0,A2B5C2_mP36_14_2e_5e_2e:Li-O-Te +mp-555939,Li2Te2O5,-5.7203762715,-1.8494983742,0.0006864974,-0.0029802133,GGA,Pccn,A2B5C2_oP72_56_2e_5e_2e:Li-O-Te,72.0,"Invalid WP multiplicities - A2B5C2_oP72_56_11e_35e_8e:Li-O-Te, expected Li11Te8O35 to be Li2Te2O5" +mp-782005,Li6TeO6,-5.4811433238,-2.0752221422,0.0574557723,0.0197683854,GGA,R-3,A6B6C_hR39_148_f_f_a:Li-O-Te,13.0,A6B6C_hR39_148_f_f_a:Li-O-Te +mp-7941,Li6TeO6,-5.5385990962000005,-2.1326779146,0.0,-0.0376873869,GGA,R-3,A6B6C_hR39_148_f_f_a:Li-O-Te,13.0,A6B6C_hR39_148_f_f_a:Li-O-Te +mp-17583,Gd2TeO6,-9.7485441814,-2.9734683324,0.0,-0.2121997436,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Gd-O-Te,36.0,A2B6C_oP36_19_2a_6a_a:Gd-O-Te +mp-1212457,Li3Gd3(TeO6)2,-8.4198011837,-2.7397006017,0.0,-0.0342833108,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Gd-Li-O-Te,80.0,A3B3C12D2_cI160_230_c_d_h_a:Gd-Li-O-Te +mp-16035,Gd2TeO2,-11.52613444,-3.2883488808,0.0,-0.1269940613,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Gd-O-Te,5.0,A2B2C_tI10_139_e_d_a:Gd-O-Te +mp-728623,Gd2Te4O11,-7.8546690015,-2.2582546558,0.0223000944,-0.0242636952,GGA,P1,A2B11C4_aP34_1_4a_22a_8a:Gd-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_aP34_2_4i_21i_8i:Gd-O-Te, expected Gd4Te8O21 to be Gd2Te4O11" +mp-542515,Gd2Te4O11,-7.8769690959,-2.2805547502,0.0,-0.0465637896,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Gd-O-Te,34.0,A2B11C4_mC68_15_f_e5f_2f:Gd-O-Te +mp-865750,Li2TeO3,-5.6497588833,-2.0162225899,0.0057792287,-0.0579130736,GGA,C2/m,A2B3C_mC24_12_j_ij_i:Li-O-Te,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_j_i2j_i:Li-O-Te, expected Li2TeO5 to be Li2TeO3" +mp-559554,Li2TeO3,-5.6528151492,-2.0192788558,0.0027229629,-0.0609693394,GGA,C2/m,A2B3C_mC24_12_j_ij_i:Li-O-Te,12.0,A2B3C_mC24_12_j_ij_i:Li-O-Te +mp-27231,Li2TeO3,-5.6555381121,-2.0220018187,0.0,-0.0636923023,GGA,C2/c,A2B3C_mC48_15_2f_3f_f:Li-O-Te,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2f_6f_f:Li-O-Te, expected Li2TeO6 to be Li2TeO3" +mp-13843,Li2TeO4,-5.7716870954,-1.9505575994,0.0,-0.0634610079,GGA,P4_122,A2B4C_tP28_91_ac_2d_b:Li-O-Te,28.0,"Invalid WP multiplicities - A2B4C_tP28_91_ac_3d_b:Li-O-Te, expected Li2TeO6 to be Li2TeO4" +mp-772619,Li8Te2O9,-5.5277803916,-2.0499807536,0.0477468149,0.0477468149,GGA,P-1,A8B9C2_aP76_2_16i_18i_4i:Li-O-Te,76.0,"Invalid WP multiplicities - A8B9C2_aP76_2_31i_35i_7i:Li-O-Te, expected Li31(TeO5)7 to be Li8Te2O9" +mp-1177660,Li3GdO3,-7.6192994431,-2.6703055897,0.0502626437,0.0502626437,GGA,P-31c,AB3C3_hP28_163_ac_i_i:Gd-Li-O,84.0,"Invalid WP multiplicities - AB3C3_hP28_163_2a3c_i_i:Gd-Li-O, expected Li6Gd5O6 to be Li3GdO3" +mp-1185401,LiGdO3,-8.42768986,-2.2626676119,0.3536309167,0.3536309167,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Gd-Li-O,5.0,ABC3_cP5_221_a_b_c:Gd-Li-O +mp-772980,Li6Te2O9,-5.6096331762,-1.9472598004,0.0940763184,0.0940763184,GGA,P-1,A6B9C2_aP68_2_12i_18i_4i:Li-O-Te,68.0,"Invalid WP multiplicities - A6B9C2_aP68_2_23i_35i_7i:Li-O-Te, expected Li23(TeO5)7 to be Li6Te2O9" +mp-754162,LiGdO2,-9.675711045,-3.2061054127,0.0083724869,0.0022623219,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Gd-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:Gd-Li-O, expected LiGdO3 to be LiGdO2" +mp-21332,LiGdO2,-9.6840835319,-3.2144778996,0.0,-0.006110165,GGA,Pnma,ABC2_oP16_62_c_c_2c:Gd-Li-O,16.0,ABC2_oP16_62_c_c_2c:Gd-Li-O +mp-754204,LiGdO2,-9.6435765463,-3.173970914,0.0405069856,0.0343968206,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Gd-Li-O,8.0,ABC2_tI16_141_a_b_e:Gd-Li-O +mp-661707,Li4TeO5,-4.1862767805,-0.6350326889,1.4698483935,1.4339031154000002,GGA,P-1,A4B5C_aP20_2_bc3i_5i_i:Li-O-Te,20.0,A4B5C_aP20_2_bc3i_5i_i:Li-O-Te +mp-4804,Li4TeO5,-5.656125174,-2.1048810824,0.0,-0.0359452781,GGA,P-1,A4B5C_aP20_2_bd3i_5i_i:Li-O-Te,20.0,A4B5C_aP20_2_bd3i_5i_i:Li-O-Te +mp-755231,LiTeO3,-5.7299051425,-1.7514461638,0.0626094094,0.0626094094,GGA,Pnn2,AB3C_oP20_34_ab_3c_ab:Li-O-Te,20.0,"Invalid WP multiplicities - AB3C_oP20_34_2ab_9c_2ab:Li-O-Te, expected LiTeO6 to be LiTeO3" +mp-3915,BaHgO2,-4.99208084,-1.9630726581,0.0,-0.2315884981,GGA,R-3m,ABC2_hR12_166_a_b_c:Ba-Hg-O,4.0,ABC2_hR12_166_a_b_c:Ba-Hg-O +mp-556118,BaHgO2,-4.9179876242,-1.8889794423,0.0740932158,-0.1574952823,GGA,P6_322,ABC2_hP24_182_af_h_i:Ba-Hg-O,24.0,"Invalid WP multiplicities - ABC2_hP24_182_2a2f_h_i:Ba-Hg-O, expected Ba2HgO2 to be BaHgO2" +mp-27286,Ba(Ag3O2)2,-4.3546881402,-0.8364094307000001,0.0,-0.0223010198,GGA,Pnna,A6BC4_oP44_52_ad2e_c_2e:Ag-Ba-O,44.0,"Invalid WP multiplicities - A6BC4_oP44_52_ad5e_c_3e:Ag-Ba-O, expected Ba(Ag2O)6 to be Ba(Ag3O2)2" +mp-1093547,Ba2AgHg,-0.8047273675000001,0.9388191946,1.3459280719,1.3459280719,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ba-Hg,4.0,AB2C_oI8_71_a_e_b:Ag-Ba-Hg +mp-1048230,BaAg4O7,-4.3703086546,-0.3806403269,0.4736100925,0.4736100925,GGA,P6_3mc,A4BC7_hP24_186_ac_b_a2c:Ag-Ba-O,24.0,A4BC7_hP24_186_ac_b_a2c:Ag-Ba-O +mp-29816,Ag2HgO2,-3.6326410955,-0.4602071367,0.0,-0.010943907,GGA,P4_32_12,A2BC2_tP20_96_b_a_b:Ag-Hg-O,20.0,A2BC2_tP20_96_b_a_b:Ag-Hg-O +mp-1096838,Ba(AgO)2,-4.898956491,-1.4034636172,0.0,-0.0003839843,GGA,I4_1/amd,A2BC2_tI20_141_c_b_e:Ag-Ba-O,10.0,A2BC2_tI20_141_c_b_e:Ag-Ba-O +mp-557862,BaAg2(HgO2)2,-4.2322207183,-1.1235315493,0.0046158192,0.0046158192,GGA,P4/nbm,A2BC2D4_tP18_125_e_b_h_m:Ag-Ba-Hg-O,18.0,A2BC2D4_tP18_125_e_b_h_m:Ag-Ba-Hg-O +mp-997000,AgHgO2,-3.7704822488,-0.513078801,0.0291471956,0.0291471956,GGA,P-1,ABC2_aP8_2_bc_dh_2i:Ag-Hg-O,8.0,"Invalid WP multiplicities - ABC2_aP8_2_bc_dh_4i:Ag-Hg-O, expected AgHgO4 to be AgHgO2" +mp-997001,AgHgO2,-3.7660192163,-0.5086157685,0.0336102281,0.0336102281,GGA,P2_1/c,ABC2_mP8_14_a_d_e:Ag-Hg-O,8.0,ABC2_mP8_14_a_b_e:Ag-Hg-O +mp-1096845,BaAgO2,-5.380666225,-1.7194391335,0.0344104075,-0.0281340506,GGA,C2/m,ABC2_mC16_12_ab_f_gi:Ag-Ba-O,8.0,ABC2_mC16_12_ab_e_gi:Ag-Ba-O +mp-996979,BaAgO2,-5.3953151025,-1.734088011,0.01976153,-0.0427829281,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ag-Ba-O,8.0,"Invalid WP multiplicities - ABC2_oC16_63_c_c_4c:Ag-Ba-O, expected BaAgO4 to be BaAgO2" +mp-996990,BaAgO2,-5.4150766325,-1.753849541,0.0,-0.0625444581,GGA,P4/mmm,ABC2_tP4_123_b_c_e:Ag-Ba-O,4.0,ABC2_tP4_123_b_c_e:Ag-Ba-O +mp-1180969,LaCl3O7,-4.8001336309,-0.6993665342000001,0.5970253146,0.5970253146,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Cl-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Cl-La-O +mp-1192467,LaCl3O7,-5.2248985086,-1.1241314119,0.1722604369,0.1722604369,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Cl-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Cl-La-O +mp-1192752,LaCl3O7,-4.8378458836,-0.7370787869000001,0.5593130619000001,0.5593130619000001,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Cl-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Cl-La-O +mp-1223072,La4BrCl3O4,-7.4452605675,-3.5594754363,0.0043407117,0.0043407117,GGA,P4mm,AB3C4D4_tP12_99_a_a2b_2a2b_2c:Br-Cl-La-O,12.0,"Invalid WP multiplicities - AB3C4D4_tP12_99_a_a2b_2a2b_4c:Br-Cl-La-O, expected La4BrCl3O8 to be La4BrCl3O4" +mp-1207378,La2Br2O,-5.332876174,-1.7479242577,0.9856890452,0.9856890452,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-La-O,5.0,A2B2C_tP5_123_g_g_a:Br-La-O +mp-1223049,La4Br3ClO4,-7.3131395208,-3.4766057779,0.0048366133,0.0048366133,GGA,Amm2,A3BC4D4_oC24_38_ae_a_2ae_2bd:Br-Cl-La-O,12.0,A3BC4D4_oC24_38_ae_a_2ae_2bd:Br-Cl-La-O +mp-1212141,La7(BrO6)3,-6.4527922645,-1.8723804242,0.6356812765000001,0.6356812765000001,GGA,P6_3/m,A3B7C18_hP56_176_h_c2h_6h:Br-La-O,56.0,A3B7C18_hP56_176_h_c2h_6h:Br-La-O +mp-1223223,La2BrClO2,-7.3782876367,-3.5171281996,0.00550107,0.00550107,GGA,P4mm,ABC2D2_tP6_99_a_b_ab_c:Br-Cl-La-O,6.0,ABC2D2_tP6_99_a_b_ab_c:Br-Cl-La-O +mp-1180968,La(ClO3)3,-4.7902497635,-0.5593408799,0.5989550537,0.5989550537,GGA,Ama2,A3BC9_oC52_40_ac_b_3b3c:Cl-La-O,26.0,"Invalid WP multiplicities - A3BC9_oC52_40_2a2c_b_6b12c:Cl-La-O, expected La(ClO5)6 to be La(ClO3)3" +mp-23023,LaBrO,-7.2521635617,-3.4402555129,0.0,-0.1826490471,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-La-O,6.0,ABC_tP6_129_c_c_a:Br-La-O +mp-1180738,LaBr3O7,-5.1203676005,-1.1001936847,0.0,-0.0560213653,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Br-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Br-La-O +mp-1191005,LaBr3O7,-4.6620529259,-0.6418790101,0.4583146745,0.4022933092,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Br-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Br-La-O +mp-1192866,LaBr3O7,-4.7001253005,-0.6799513847,0.4202422999999999,0.3642209347,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Br-La-O,22.0,A3BC7_aP22_2_3i_i_7i:Br-La-O +mp-729788,LaClO2,-6.58080018,-2.4113198831,0.3587585837,0.3587585837,GGA,P2/m,ABC2_mP8_10_m_n_2m:Cl-La-O,8.0,ABC2_mP8_10_m_n_2m:Cl-La-O +mp-1207170,LaClO2,-6.78394731,-2.6144670131,0.1556114537,0.1556114537,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-La-O,8.0,ABC2_mP8_11_e_e_2e:Cl-La-O +mp-755831,BrClO,-3.0744482183,-0.2916969846,0.0604450329,0.0604450329,GGA,R-3,ABC_hR54_148_f_f_f:Br-Cl-O,18.0,ABC_hR54_148_f_f_f:Br-Cl-O +mp-1212032,La(ClO)3,-4.7042274579,-1.0868441409,0.7224753932,0.7224753932,GGA,Pnma,A3BC3_oP28_62_cd_c_cd:Cl-La-O,28.0,A3BC3_oP28_62_cd_c_cd:Cl-La-O +mp-1078018,La(ClO)3,-4.2144115871,-0.5970282702,1.2122912639,1.2122912639,GGA,P-62m,A3BC3_hP7_189_g_a_f:Cl-La-O,7.0,A3BC3_hP7_189_g_a_f:Cl-La-O +mp-23025,LaClO,-7.5154138517,-3.6050030263,0.0,-0.1779514815,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-La-O,6.0,ABC_tP6_129_c_c_a:Cl-La-O +mp-780362,La(ClO4)3,-5.3810021222,-1.0158845209,0.0,-0.1542873142,GGA,R3c,A3BC12_hR96_161_b_a_4b:Cl-La-O,32.0,"Invalid WP multiplicities - A3BC12_hR96_161_b_a_20b:Cl-La-O, expected La(ClO20)3 to be La(ClO4)3" +mp-768419,La(ClO4)3,-5.3785393253,-1.0134217241,0.0024627969,-0.1518245173,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-La-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_11h6i:Cl-La-O, expected La(ClO23)3 to be La(ClO4)3" +mp-1206208,LaBrO2,-6.4494177388,-2.3538145244,0.2447472274,0.2447472274,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Br-La-O,8.0,ABC2_mP8_11_e_e_2e:Br-La-O +mp-1110574,Na3AsF6,-4.650142129,-2.64058532,0.1133333603,0.1133333603,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-F-Na,10.0,AB6C3_cF40_225_a_e_bc:As-F-Na +mp-1079088,NaAsF6,-4.8795002387,-2.6981855508,0.0,-0.1702871231,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-Na,8.0,AB6C_hR24_148_a_f_b:As-F-Na +mp-1087215,NaAsF6,-4.8779081162,-2.6965934283,0.0015921225,-0.1686950006,GGA,Fm-3m,AB6C_cF32_225_a_e_b:As-F-Na,8.0,AB6C_cF32_225_a_e_b:As-F-Na +mp-1111406,RbNa2AsF6,-4.499237416,-2.5238797291,0.2544375131,0.2544375131,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-Na-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-Na-Rb +mp-9819,RbAsF6,-4.8955178513,-2.7569520659,0.0,-0.2450474081,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-Rb,8.0,AB6C_hR24_148_a_f_b:As-F-Rb +mp-1209536,Rb3AsF6,-4.622670178,-2.7157107353,0.037584441,-0.0001771028,GGA,C2/m,AB6C3_mC20_12_a_ij_ce:As-F-Rb,10.0,AB6C3_aP10_2_a_3i_bcd:As-F-Rb +mp-1113850,Rb3AsF6,-4.660254619,-2.7532951762,0.0,-0.0377615438,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:As-F-Rb +mp-28027,AsF3,-5.0754151956,-2.4770263688,0.0,-0.3251023219,GGA,Pna2_1,AB3_oP16_33_a_3a:As-F,16.0,AB3_oP16_33_a_3a:As-F +mp-989523,Rb2NaAsF6,-4.743874369,-2.8027158042,0.0,-0.0492127933,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Na-Rb +mp-8723,AsF5,-4.7604455925,-2.3910267188,0.0,-0.7396758063000001,GGA,P6_3/mmc,AB5_hP12_194_c_fh:As-F,12.0,"Invalid WP multiplicities - AB5_hP12_194_c_2fh:As-F, expected AsF7 to be AsF5" +mp-20902,InAg(PSe3)2,-4.2438666755,-0.5052353142,0.0,-0.0192596819,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Ag-In-P-Se,20.0,ABC2D6_hP20_163_c_a_f_i:Ag-In-P-Se +mp-13956,Ag2PSe3,-3.9345445917,-0.3401864339,0.0,-0.0023774892,GGA,P2_12_12_1,A2BC3_oP48_19_4a_2a_6a:Ag-P-Se,48.0,A2BC3_oP48_19_4a_2a_6a:Ag-P-Se +mp-1247841,Ag7PSe6,-1.0132631636,2.287927079,2.5956826111,2.5789552839,GGA,P1,A7BC6_aP14_1_7a_a_6a:Ag-P-Se,14.0,A7BC6_aP14_1_7a_a_6a:Ag-P-Se +mp-8594,Ag7PSe6,-3.6089457746,-0.3077555321,0.0,-0.0167273271,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Ag-P-Se,56.0,A7BC6_cP56_198_a2b_a_3ab:Ag-P-Se +mp-30908,Ag3PSe4,-3.8277349631,-0.3409079097,0.0,-0.0136315599,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Ag-P-Se,16.0,"Invalid WP multiplicities - A3BC4_oP16_31_ab_a_2a2b:Ag-P-Se, expected Ag3PSe6 to be Ag3PSe4" +mp-686581,In2(PSe3)3,-4.3489194516,-0.5484567174,0.0,-0.0439581055,GGA,P-1,A2B3C9_aP56_2_4i_6i_18i:In-P-Se,56.0,"Invalid WP multiplicities - A2B3C9_aP56_2_7i_10i_34i:In-P-Se, expected In7(P5Se17)2 to be In2(PSe3)3" +mp-1224455,In2(PSe3)3,-4.345668745,-0.5452060108,0.0032507066,-0.0407073989,GGA,P-1,A2B3C9_aP28_2_2i_3i_9i:In-P-Se,28.0,"Invalid WP multiplicities - A2B3C9_aP28_2_4i_5i_18i:In-P-Se, expected In4P5Se18 to be In2(PSe3)3" +mp-1120777,NaTiF3,-5.915472468,-2.9249816255,0.2350290188,0.2350290188,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-Na-Ti,5.0,A3BC_cP5_221_c_a_b:F-Na-Ti +mp-556024,Na2TiF6,-5.94456283,-3.4990721179,0.0,-0.1441302689,GGA,P321,A6B2C_hP27_150_3g_ef_ad:F-Na-Ti,27.0,"Invalid WP multiplicities - A6B2C_hP27_150_12g_2ef_ad:F-Na-Ti, expected Na3TiF24 to be Na2TiF6" +mp-18075,Na2TiF6,-5.9021884726,-3.4566977605,0.0423743574,-0.1017559115,GGA,P-3m1,A6B2C_hP27_164_3i_g_ad:F-Na-Ti,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_4i_g_ad:F-Na-Ti, expected Na2TiF8 to be Na2TiF6" +mp-990248,TiAgF6,-0.9754830312,1.7991321969,4.6442136819,4.6442136819,GGA,P-1,AB6C_aP8_2_b_3i_d:Ag-F-Ti,8.0,AB6C_aP8_2_b_3i_d:Ag-F-Ti +mp-10810,TiAgF6,-5.6141307012,-2.8395154731,0.0055660119,0.0055660119,GGA,P-1,AB6C_aP8_2_b_3i_d:Ag-F-Ti,8.0,AB6C_aP8_2_b_3i_d:Ag-F-Ti +mp-1120745,NaTiF4,-6.2570889229,-3.4464333929,0.0071981487,-0.0001616952,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-Na-Ti,24.0,A4BC_mP24_14_4e_e_e:F-Na-Ti +mp-27264,NaTiF4,-6.2642870717,-3.4536315416,0.0,-0.007359844,GGA,Pbcn,A4BC_oP24_60_2d_a_c:F-Na-Ti,24.0,A4BC_oP24_60_2d_a_c:F-Na-Ti +mp-1120794,Na2TiF5,-5.8459875191,-3.3337453389,0.0010509628,0.0010509628,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_ab:F-Na-Ti,32.0,A5B2C_mP32_14_5e_2e_ad:F-Na-Ti +mp-1120764,NaTi3F7,-6.4352396032,-2.9452983199,0.2735277629,0.2735277629,GGA,C2/c,A7BC3_mC44_15_e3f_a_bcd:F-Na-Ti,22.0,"Invalid WP multiplicities - A7BC3_mC44_15_e4f_a_bcd:F-Na-Ti, expected NaTi3F9 to be NaTi3F7" +mp-1120828,Na2Ti2F7,-6.1655302292,-3.2731313753,0.0470361221,0.0470361221,GGA,C2/c,A7B2C2_mC176_15_14f_abce2f_de3f:F-Na-Ti,88.0,A7B2C2_mC176_15_14f_abce2f_de3f:F-Na-Ti +mp-732175,Na3TiF8,-5.3900312321,-3.127122929,0.0,-0.0130665815,GGA,Cmcm,A8B3C_oC48_63_2f2g_cg_c:F-Na-Ti,24.0,A8B3C_oC48_63_2f2g_cg_c:F-Na-Ti +mp-1120736,Na5Ti3F14,-5.9500061341,-3.3563784949,0.0108274177,0.0108274177,GGA,P4/mnc,A14B5C3_tP44_128_ehi_ag_bc:F-Na-Ti,44.0,A14B5C3_tP44_128_ehi_ag_bc:F-Na-Ti +mp-1104717,Na2AgF4,-4.1916754564,-2.3168865335,0.0,-0.0205602943,GGA,P2_1/c,AB4C2_mP14_14_a_2e_e:Ag-F-Na,14.0,AB4C2_mP14_14_a_2e_e:Ag-F-Na +mp-1111315,Na2TiAgF6,-5.238347266,-2.7541500248,0.3950148813,0.3950148813,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ti +mp-1120740,NaTi3F10,-6.7168664661,-3.5651671076,0.0128603618,0.0128603618,GGA,Fdd2,A10BC3_oF112_43_5b_a_ab:F-Na-Ti,28.0,A10BC3_oF112_43_5b_a_ab:F-Na-Ti +mp-7386,NaAgF4,-3.9477064975,-1.9808736364,0.0,-0.1235737778,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Ag-F-Na,12.0,AB4C_tI24_140_d_l_a:Ag-F-Na +mp-1210257,Na3TiF6,-5.596689328,-3.2634951578,0.0,-0.0087961757,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-Na-Ti,20.0,A6B3C_mP20_14_3e_ae_b:F-Na-Ti +mp-1111001,Na3TiF6,-5.500259053,-3.1670648828,0.096430275,0.0876340993,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Ti,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Ti +mp-638261,La2GeO5,-8.2344971516,-3.3309364489,0.0,-0.0126860343,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-La-O,32.0,"Invalid WP multiplicities - AB2C5_mP32_14_e_6e_18e:Ge-La-O, expected La6GeO18 to be La2GeO5" +mp-768285,Be2GeO4,-7.2515620133,-2.6960465233,0.0,-0.0320849538,GGA,R-3,A2BC4_hR126_148_2f_f_4f:Be-Ge-O,42.0,"Invalid WP multiplicities - A2BC4_hR126_148_7f_f_19f:Be-Ge-O, expected Be7GeO19 to be Be2GeO4" +mp-1097551,La2BeGe,-2.4828686425,2.07574509,2.576099224,2.576099224,GGA,Immm,ABC2_oI8_71_a_b_e:Be-Ge-La,4.0,ABC2_oI8_71_a_b_e:Be-Ge-La +mp-981934,LaBeO3,-7.623507152,-2.9204099313,0.2584400847,0.2584400847,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-La-O,5.0,ABC3_cP5_221_b_a_c:Be-La-O +mp-1183415,BeGeO3,-5.829437096,-1.1889357252,1.32167316,1.32167316,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Ge-O,5.0,ABC3_cP5_221_b_a_c:Be-Ge-O +mp-703350,La2(GeO3)3,-7.7020479968,-2.8262411271000003,0.0053979739,0.0053979739,GGA,P-1,A3B2C9_aP28_2_3i_2i_9i:Ge-La-O,28.0,A3B2C9_aP28_2_3i_2i_9i:Ge-La-O +mp-19926,La2Be2GeO7,-7.9898686971,-3.2731446326,0.0,-0.0180230169,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-La-O,24.0,"Invalid WP multiplicities - A2BC2D7_tP24_113_e_a_e_ce2f:Be-Ge-La-O, expected La2Be2GeO11 to be La2Be2GeO7" +mp-1212654,La15Ge9O,-5.7555306916,-0.9317688524,0.0,-0.006602466,GGA,P6_3mc,A9B15C_hP50_186_3c_3cd_b:Ge-La-O,50.0,A9B15C_hP50_186_3c_3cd_b:Ge-La-O +mp-621945,La2Ge2O7,-7.9204122105,-3.0345130378,0.002685528,-0.0247463392,GGA,P1,A2B2C7_aP22_1_4a_4a_14a:Ge-La-O,22.0,A2B2C7_aP22_1_4a_4a_14a:Ge-La-O +mp-21532,La2Ge2O7,-7.9230977384,-3.0371985658,0.0,-0.0274318672,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:Ge-La-O,44.0,A2B2C7_aP44_2_4i_4i_14i:Ge-La-O +mp-1211687,La5Ge3O,-6.16644311,-1.3335755765,0.0,-0.0063693438,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Ge-La-O,18.0,A3B5C_hP18_193_g_dg_b:Ge-La-O +mp-28072,La2Be2O5,-8.1686059539,-3.4925744543,0.039481119,0.039481119,GGA,C2/c,A2B2C5_mC36_15_f_f_acef:Be-La-O,18.0,A2B2C5_mC36_15_f_f_acef:Be-La-O +mp-1211987,La4GeO8,-8.4745685917,-3.5560635175,0.0,-0.0159078288,GGA,Pnma,AB4C8_oP52_62_c_2cd_4c2d:Ge-La-O,52.0,"Invalid WP multiplicities - AB4C8_oP52_62_c_3c2d_7c4d:Ge-La-O, expected La7GeO15 to be La4GeO8" +mp-1192524,Na2Th(AsO4)2,-7.0459018658,-2.5112360706,0.0,-0.0479569379,GGA,Fddd,A2B2C8D_oF104_70_e_e_2h_a:As-Na-O-Th,26.0,A2B2C8D_oF104_70_e_e_2h_a:As-Na-O-Th +mp-1195682,Th(As4O9)2,-6.9110203081,-1.958160964,0.0,-0.05946,GGA,C2/c,A8B18C_mC108_15_4f_9f_e:As-O-Th,54.0,A8B18C_mC108_15_4f_9f_e:As-O-Th +mp-1105361,Dy5(MoO6)2,-8.8259299289,-3.3477457734,0.0,-0.0022393445,GGA+U,C2/m,A5B2C12_mC38_12_a2i_h_2i2j:Dy-Mo-O,19.0,A5B2C12_mC38_12_a2i_h_2i2j:Dy-Mo-O +mp-1198422,Dy2Mo8O33,-7.649055339,-1.6206948266,0.3279352777,0.3279352777,GGA+U,P2_1,A2B8C33_mP86_4_2a_8a_33a:Dy-Mo-O,86.0,A2B8C33_mP86_4_2a_8a_33a:Dy-Mo-O +mp-1213187,Dy2Mo4O15,-8.5609133583,-2.5229845589,0.0,-0.0038702126,GGA+U,P2_1/c,A2B4C15_mP42_14_e_2e_a7e:Dy-Mo-O,42.0,A2B4C15_mP42_14_e_2e_a7e:Dy-Mo-O +mp-16390,Dy4Mo4O11,-8.7678368586,-2.6508198257,0.2582576318,0.2582576318,GGA+U,Pbam,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Dy-Mo-O,76.0,"Invalid WP multiplicities - A4B4C11_oP76_55_2g2h_ghi_e2g4h5i:Dy-Mo-O, expected Dy4Mo4O17 to be Dy4Mo4O11" +mp-1213163,Dy2(MoO4)3,-8.5855096924,-2.6378162485,0.0209659035,0.0030479219,GGA+U,C2/c,A2B3C12_mC68_15_f_ef_6f:Dy-Mo-O,34.0,A2B3C12_mC68_15_f_ef_6f:Dy-Mo-O +mp-1213230,Dy2(MoO4)3,-8.6058870096,-2.6581935657,0.0005885863,-0.0173293953,GGA+U,Pba2,A2B3C12_oP68_32_2c_3c_12c:Dy-Mo-O,68.0,A2B3C12_oP68_32_2c_3c_12c:Dy-Mo-O +mp-1213120,Dy2(MoO4)3,-8.6064755959,-2.6587821521,0.0,-0.0179179817,GGA+U,P-42_1m,A2B3C12_tP34_113_e_ae_2e2f:Dy-Mo-O,34.0,A2B3C12_tP34_113_e_ae_2e2f:Dy-Mo-O +mp-1213168,DyMoO5,-8.2281705414,-2.4873304691,0.1525987381,0.1525987381,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Dy-Mo-O,28.0,ABC5_mP28_14_e_e_5e:Dy-Mo-O +mp-17822,Dy2MoO6,-8.7175641417,-3.1909690242,0.0,-0.0315711391,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Dy-Mo-O,36.0,A2BC6_mC72_15_2ef_f_6f:Dy-Mo-O +mp-1190424,Dy2Mo2O7,-8.8719330764,-2.9145062692,0.0115522273,0.0115522273,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Dy-Mo-O,22.0,A2B2C7_cF88_227_c_d_af:Dy-Mo-O +mp-1105402,Sr2DyMoO6,-7.94662015,-3.0954645376,0.0,-0.027872593,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Dy-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Dy-Mo-O-Sr +mp-36751,In5AgS8,-4.3476515886,-0.7988963323,0.0,-0.0089574127,GGA,F-43m,AB5C8_cF56_216_a_ce_2e:Ag-In-S,14.0,AB5C8_cF56_216_a_ce_2e:Ag-In-S +mp-1223900,InAgSeS,-3.9655131338,-0.6613628643,0.0053692294,0.0053692294,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Ag-In-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Ag-In-S-Se +mp-634855,InAgS2,-4.014316905,-0.5500320382,0.1277264462,0.0774550345,GGA,C2/m,ABC2_mC8_12_a_c_i:Ag-In-S,4.0,ABC2_mC8_12_a_d_i:Ag-In-S +mp-21459,InAgS2,-4.1392996287,-0.675014762,0.0027437225,-0.0475276892,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ag-In-S,16.0,ABC2_oP16_33_a_a_2a:Ag-In-S +mp-19833,InAgS2,-4.1420433512,-0.6777584845,0.0,-0.0502714117,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-In-S,8.0,ABC2_tI16_122_a_b_d:Ag-In-S +mp-676113,InAgS2,-3.934098315,-0.4698134482,0.2079450362,0.1576736245,GGA,P3m1,ABC2_hP4_156_a_b_ab:Ag-In-S,4.0,ABC2_hP4_187_a_d_bc:Ag-In-S +mp-1223835,InAgS2,-4.0445723475,-0.5802874807,0.0974710037,0.047199592,GGA,P3m1,ABC2_hP4_156_a_b_ab:Ag-In-S,4.0,ABC2_hP4_156_a_b_ab:Ag-In-S +mp-1097000,InAgS2,-4.058986135,-0.5947012682,0.0830572163,0.0327858045,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-In-S,4.0,ABC2_hR12_160_a_a_2a:Ag-In-S +mp-20162,InAgS2,-4.0523548125,-0.5880699457,0.0896885387,0.039417127,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-In-S,4.0,ABC2_hR12_166_a_b_c:Ag-In-S +mp-16452,BaLa2ZnS5,-5.8989022672,-2.1507931456,0.0,-0.0093376423,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-La-S-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-La-S-Zn +mp-5587,Ba2ZnS3,-4.8305550571,-1.912714542,0.0,-0.0049779728,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ba-S-Zn,24.0,A2B3C_oP24_62_2c_3c_c:Ba-S-Zn +mp-1190623,Ba2ZnS3,-4.8280834758,-1.9102429607,0.0024715812,-0.0025063915,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ba-S-Zn,24.0,A2B3C_oP24_62_2c_3c_c:Ba-S-Zn +mp-33615,Ba(LaS2)2,-6.4823093479,-2.4341966882,0.013217995,0.013217995,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-La-S,14.0,AB2C4_tI28_122_a_d_e:Ba-La-S +mp-675219,Ba9(LaS6)2,-5.6700268917,-2.3317578886,0.0340042474,0.0340042474,GGA,C2/m,A9B2C12_mC46_12_agij_h_2i2j:Ba-La-S,23.0,"Invalid WP multiplicities - A9B2C12_mC46_12_a2g2i3j_h_4i7j:Ba-La-S, expected Ba21(LaS18)2 to be Ba9(LaS6)2" +mp-754223,Ta2CuO6,-9.0901716167,-2.7018500392,0.1028418917,0.1028418917,GGA,C2,AB6C2_mC18_5_a_ab2c_c:Cu-O-Ta,9.0,AB6C2_mC18_5_a_ab2c_c:Cu-O-Ta +mp-532289,Ta2CuO6,-9.1611267001,-2.7728051226,0.0318868083,0.0318868083,GGA,Pmm2,AB6C2_oP144_25_4a5b6cd_8e8f8g8h8i_8i:Cu-O-Ta,144.0,"Invalid WP multiplicities - AB6C2_oP144_25_4a5b6cd_16e16f16g16h24i_32i:Cu-O-Ta, expected Ta8CuO14 to be Ta2CuO6" +mp-2220557,Ta2CuO6,-9.1093313456,-2.7210097681,0.0836821628,0.0836821628,GGA,Imm2,AB6C2_oI18_44_a_abe_c:Cu-O-Ta,9.0,"Invalid WP multiplicities - AB6C2_oI18_44_a_ab2e_c:Cu-O-Ta, expected Ta2CuO10 to be Ta2CuO6" +mp-675320,Ta2CuO6,-9.1648379222,-2.7765163447,0.0281755861,0.0281755861,GGA,Pmmm,AB6C2_oP36_47_abch_uvwxyz_A:Cu-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_oP36_47_abch_2u2v2w2xy2z_A:Cu-O-Ta, expected Ta2CuO11 to be Ta2CuO6" +mp-530850,Ta2CuO6,-9.1660501549,-2.7777285774,0.0269633535,0.0269633535,GGA,Pmmm,AB6C2_oP72_47_abcfjk_Auv2w2x2y2z_2A:Cu-O-Ta,72.0,"Invalid WP multiplicities - AB6C2_oP72_47_abcf2jk_2A2u2v4w4x4y6z_10A:Cu-O-Ta, expected Ta40Cu5O52 to be Ta2CuO6" +mp-1218105,Ta2CuO6,-9.1530663972,-2.7647448197,0.0399471111,0.0399471111,GGA,Immm,AB6C2_oI36_71_ab_lmn_k:Cu-O-Ta,18.0,AB6C2_oI36_71_ab_lmn_k:Cu-O-Ta +mp-22010,Ta2CuO6,-9.1321182922,-2.7437967147,0.0608952161,0.0608952161,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cu-O-Ta,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_2f3j_e:Cu-O-Ta, expected Ta2CuO16 to be Ta2CuO6" +mp-530658,Ta24Cu13O72,-9.1239276366,-2.7566071133000003,0.0227933909,0.0227933909,GGA,P2/m,A13B72C24_mP109_10_abcehm3n_6m6n12o_6o:Cu-O-Ta,109.0,"Invalid WP multiplicities - A13B72C24_mP109_10_abcehm5n_11m12n41o_22o:Cu-O-Ta, expected Ta88Cu17O210 to be Ta24Cu13O72" +mp-1147689,Ta(Cu3O4)2,-6.4479306013,-1.3794954453,0.0924637412,0.0924637412,GGA,Fm-3m,A6B8C_cF60_225_d_f_a:Cu-O-Ta,15.0,A6B8C_cF60_225_d_f_a:Cu-O-Ta +mp-756050,TaCuO3,-8.664869109,-2.5054590223,0.0235563585,0.0235563585,GGA,C2/m,AB3C_mC40_12_gi_2i2j_hi:Cu-O-Ta,20.0,"Invalid WP multiplicities - AB3C_mC40_12_g2i_4i3j_h2i:Cu-O-Ta, expected Ta3Cu3O10 to be TaCuO3" +mp-1346978,TaZn2CuO6,-6.778892004,-1.9632316252,0.1447481873,0.1447481873,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Cu-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Cu-O-Ta-Zn, expected TaZn3CuO18 to be TaZn2CuO6" +mp-531656,Ta32Cu17O96,-9.1315538184,-2.7590192403,0.0266605147,0.0266605147,GGA,Pmmm,A17B96C32_oP145_47_abg3i2j2l_3Auv4w4x4y4z_4A:Cu-O-Ta,145.0,"Invalid WP multiplicities - A17B96C32_oP145_47_abg4i4j4l_12A3u4v13w16x12y8z_30A:Cu-O-Ta, expected Ta240Cu27O320 to be Ta32Cu17O96" +mp-676563,Ta4Cu2O11,-9.2948161288,-2.821692618,0.0398085,0.0398085,GGA,C2/c,A2B11C4_mC68_15_ab_e5f_cef:Cu-O-Ta,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_2c2d_2e19f_2a2e2f:Cu-O-Ta, expected Ta2CuO10 to be Ta4Cu2O11" +mp-1045361,Ta2ZnO6,-9.0158859717,-2.9430602897,0.0553696559,0.0553696559,GGA,Pmn2_1,A6B2C_oP18_31_2a2b_b_a:O-Ta-Zn,18.0,"Invalid WP multiplicities - A6B2C_oP18_31_2a3b_b_a:O-Ta-Zn, expected Ta2ZnO8 to be Ta2ZnO6" +mp-17765,Ta2ZnO6,-9.0676972794,-2.9948715975,0.0035583481,0.0035583481,GGA,Pbcn,A6B2C_oP36_60_3d_2c_c:O-Ta-Zn,36.0,"Invalid WP multiplicities - A6B2C_oP36_60_4d_2c_c:O-Ta-Zn, expected Ta2ZnO8 to be Ta2ZnO6" +mp-1045963,Ta2Zn2CuO8,-7.8114838727,-2.4339639619,0.0662849613,0.0662849613,GGA,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Cu-O-Ta-Zn,26.0,"Invalid WP multiplicities - AB8C2D2_mC52_15_e_5f_f_f:Cu-O-Ta-Zn, expected Ta2Zn2CuO10 to be Ta2Zn2CuO8" +mp-28752,Ta7Cu3O19,-9.4138976359,-2.8866856037,0.0321406415,0.0321406415,GGA,P6_3/m,A3B19C7_hP58_176_g_efh2i_bi:Cu-O-Ta,58.0,"Invalid WP multiplicities - A3B19C7_hP58_176_g_efh3i_bi:Cu-O-Ta, expected Ta7Cu3O25 to be Ta7Cu3O19" +mp-1329950,Ta2ZnCuO7,-8.2765732105,-2.4855435269,0.139250263,0.139250263,GGA,P2/c,AB7C2D_mP66_13_eg_f10g_3g_eg:Cu-O-Ta-Zn,66.0,"Invalid WP multiplicities - AB7C2D_mP66_13_2e3g_2f38g_9g_2e3g:Cu-O-Ta-Zn, expected Ta9Zn4Cu4O39 to be Ta2ZnCuO7" +mp-531291,Ta16(Cu3O16)3,-9.1016611241,-2.7446972851,0.0222307348,0.0222307348,GGA,Fmmm,A9B48C16_oF292_69_acfgh_2m2n2o3p_2p:Cu-O-Ta,73.0,"Invalid WP multiplicities - A9B48C16_oF292_69_a2c2f2gh_8m6n8o11p_12p:Cu-O-Ta, expected Ta96Cu15O176 to be Ta16(Cu3O16)3" +mp-1348904,TaCuO4,-8.0351644673,-2.0778746098,0.2158609836,0.2158609836,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-Ta,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-Ta, expected Ta5(Cu3O13)2 to be TaCuO4" +mp-28251,Ta2Zn3O8,-7.7934749165,-2.6343752412,0.0,-0.0097609785,GGA,C2/c,A8B2C3_mC52_15_4f_f_ef:O-Ta-Zn,26.0,"Invalid WP multiplicities - A8B2C3_mC52_15_5f_f_ef:O-Ta-Zn, expected Ta2Zn3O10 to be Ta2Zn3O8" +mp-531119,Ta2Zn4O9,-7.3686919068,-2.4837100334,0.0382865435,0.0382865435,GGA,P-1,A9B2C4_aP60_2_18i_ab3i_8i:O-Ta-Zn,60.0,"Invalid WP multiplicities - A9B2C4_aP60_2_35i_ab5i_15i:O-Ta-Zn, expected Ta6Zn15O35 to be Ta2Zn4O9" +mp-778795,Ta2Zn4O9,-7.3064303697,-2.4214484963,0.1005480807,0.1005480807,GGA,P2_1/c,A9B2C4_mP60_14_9e_2e_ad3e:O-Ta-Zn,60.0,"Invalid WP multiplicities - A9B2C4_mP60_14_33e_7e_2a2d10e:O-Ta-Zn, expected Ta7Zn12O33 to be Ta2Zn4O9" +mp-780506,Ta2Zn4O9,-7.3506705555,-2.4656886821,0.0563078948,0.0563078948,GGA,Pbcn,A9B2C4_oP60_60_c4d_d_2d:O-Ta-Zn,60.0,"Invalid WP multiplicities - A9B2C4_oP60_60_2c15d_d_5d:O-Ta-Zn, expected TaZn5O16 to be Ta2Zn4O9" +mp-768702,Ta2Zn4O9,-7.352010198,-2.4670283246,0.0549682523,0.0549682523,GGA,P-3c1,A9B2C4_hP30_165_fg_c_2d:O-Ta-Zn,30.0,"Invalid WP multiplicities - A9B2C4_hP30_165_5f5g_c_7d:O-Ta-Zn, expected Ta2Zn14O45 to be Ta2Zn4O9" +mp-1208429,Ta5Zn7O18,-7.705690341,-2.4674406669,0.1444322235,0.1444322235,GGA,C2/c,A18B5C7_mC120_15_9f_a2f_e3f:O-Ta-Zn,60.0,A18B5C7_mC120_15_9f_c2f_e3f:O-Ta-Zn +mp-1040945,Ta2Zn(CuO4)2,-7.8253524063,-2.2294122602,0.1367103451,0.1367103451,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-Ta-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-Ta-Zn, expected Ta5Zn(Cu3O13)2 to be Ta2Zn(CuO4)2" +mp-1041113,HoMn2ZnO6,-7.757143641,-2.3725121078,0.1107295068,0.1107295068,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ho-Mn-O-Zn,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ho-Mn-O-Zn, expected HoMn2ZnO12 to be HoMn2ZnO6" +mp-1193069,HoMnO3,-8.473091854,-2.7561937948,0.3159067387,0.2818706082,GGA+U,Cmc2_1,ABC3_oC60_36_ab_ab_3a3b:Ho-Mn-O,30.0,"Invalid WP multiplicities - ABC3_oC60_36_ab_2a2b_5a5b:Ho-Mn-O, expected HoMn2O5 to be HoMnO3" +mp-22081,HoMnO3,-8.760399524,-3.0435014648,0.0285990687,-0.0054370618,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ho-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Ho-Mn-O +mp-1181443,HoMnO3,-8.4773038505,-2.7604057913,0.3116947422,0.2776586117,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ho-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Ho-Mn-O +mp-19056,HoMnO3,-8.7889985927,-3.0721005335,0.0,-0.0340361305,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Ho-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:Ho-Mn-O +mp-510225,HoMn2O5,-8.6111535797,-2.6561682034,0.0,-0.0281554989,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Ho-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Ho-Mn-O +mp-754918,Ho2Mn2O7,-8.5536778614,-2.9067988338,0.0,-0.0581239907,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Ho-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2af:Ho-Mn-O, expected HoMnO4 to be Ho2Mn2O7" +mp-1147652,HoMn2O4,-8.7342378536,-2.6352100966,0.1248203255,0.1248203255,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Ho-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i2j:Ho-Mn-O, expected HoMn2O8 to be HoMn2O4" +mp-3824,Ta9(NiS3)2,-9.3395955612,-0.9220090182,0.0,-0.0280584806,GGA,P-62m,A2B6C9_hP17_189_c_fg_fk:Ni-S-Ta,17.0,A2B6C9_hP17_189_c_fg_fk:Ni-S-Ta +mp-1218136,Ta4NiS8,-7.8948304985,-1.2561500265,0.0414952846,0.0414952846,GGA,P-3m1,AB8C4_hP13_164_a_4d_2c:Ni-S-Ta,13.0,"Invalid WP multiplicities - AB8C4_hP13_164_a_8d_4c:Ni-S-Ta, expected Ta8NiS16 to be Ta4NiS8" +mp-1219081,Ta5CrNiS10,-8.0329761541,-1.2043543324,0.0944780377,0.0944780377,GGA,P3m1,ABC10D5_hP34_156_2a_2a_10b10c_10a:Cr-Ni-S-Ta,34.0,ABC10D5_hP34_156_2a_2a_10b10c_10a:Cr-Ni-S-Ta +mp-28308,Ta2NiS5,-7.5124086656,-1.2401660063,0.0,-0.0290092189,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ni-S-Ta,16.0,AB5C2_oC32_63_c_c2f_f:Ni-S-Ta +mp-562537,Ta2Ni3S8,-6.7504962323,-1.046837445,0.0,-0.0357561816,GGA,Pbam,A3B8C2_oP26_55_ag_2g2h_h:Ni-S-Ta,26.0,"Invalid WP multiplicities - A3B8C2_oP26_55_2a2g_7g6h_h:Ni-S-Ta, expected TaNi3S13 to be Ta2Ni3S8" +mp-1218063,TaCrNi,-9.2519744825,-0.1549872225,0.069889499,0.069889499,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Ni-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Ni-Ta, expected Ta3(CrNi)2 to be TaCrNi" +mp-1226452,Cr5NiS8,-7.1185745586,-0.8945050611,0.0440031693,0.0440031693,GGA,P-1,A5BC8_aP14_2_a2i_b_4i:Cr-Ni-S,14.0,"Invalid WP multiplicities - A5BC8_aP14_2_a3i_b_6i:Cr-Ni-S, expected Cr7NiS12 to be Cr5NiS8" +mp-1226130,Cr5NiS8,-7.1425706986,-0.9185012011,0.0200070293,0.0200070293,GGA,P2/m,A5BC8_mP14_10_cmn_e_2m2n:Cr-Ni-S,14.0,"Invalid WP multiplicities - A5BC8_mP14_10_am2n_e_3m3n:Cr-Ni-S, expected Cr7NiS12 to be Cr5NiS8" +mp-27512,Cr2NiS4,-6.7762367114,-0.8288036989,0.0598208795,0.0598208795,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Ni-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Ni-S +mp-1218077,Ta2NiS4,-7.7407080714,-1.1633521561,0.0453951744,0.0453951744,GGA,P-3m1,AB4C2_hP7_164_a_2d_c:Ni-S-Ta,7.0,AB4C2_hP7_164_a_2d_c:Ni-S-Ta +mp-1189011,Ta3CrS6,-8.366399854,-1.3618918979,0.0,-0.0919357807,GGA,P6_322,AB6C3_hP20_182_c_i_af:Cr-S-Ta,20.0,AB6C3_hP20_182_c_i_af:Cr-S-Ta +mp-1247747,TaCr3S8,-7.1612672158,-1.0022239679,0.0291770947,0.0291770947,GGA,R-3m,A3B8C_hR36_166_d_ch_a:Cr-S-Ta,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2c3h_a:Cr-S-Ta, expected TaCr3S22 to be TaCr3S8" +mp-1226263,Cr11NiS16,-7.2966090332,-0.9342212932,0.0130531527,0.0130531527,GGA,P-1,A11BC16_aP28_2_b5i_e_8i:Cr-Ni-S,28.0,"Invalid WP multiplicities - A11BC16_aP28_2_b10i_e_16i:Cr-Ni-S, expected Cr21NiS32 to be Cr11NiS16" +mp-1226505,Cr11NiS16,-7.2893883239,-0.9270005839,0.020273862,0.020273862,GGA,C2/m,A11BC16_mC56_12_a5i_d_8i:Cr-Ni-S,28.0,"Invalid WP multiplicities - A11BC16_mC56_12_a9i_c_14i:Cr-Ni-S, expected Cr19NiS28 to be Cr11NiS16" +mp-505158,CsHoS2,-5.505288155,-2.067610411,0.0017043025,-0.163629349,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Ho-S,4.0,ABC2_hR12_166_a_b_c:Cs-Ho-S +mp-1078726,CsHoS2,-5.5069924575,-2.0693147135,0.0,-0.1653336515,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Ho-S,8.0,ABC2_hP8_194_c_a_f:Cs-Ho-S +mp-1199243,Cs6Ho21S34Cl,-6.2527338265,-2.315784913,0.0,-0.0462674404,GGA,C2/m,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Ho-S,62.0,AB6C21D34_mC124_12_a_ij_cg2hi3j_3i7j:Cl-Cs-Ho-S +mp-1044778,PrZn(MoO3)2,-8.054389554,-2.3131813688,0.0459654119,0.0459654119,GGA+U,Pc,A2B6CD_mP20_7_2a_6a_a_a:Mo-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_mP20_7_4a_12a_a_a:Mo-O-Pr-Zn, expected PrZn(MoO3)4 to be PrZn(MoO3)2" +mp-19201,CaMnO3,-7.7027377015,-2.5012014403,0.0350749438,0.0350749438,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Mn-O +mp-1188497,CaMnO3,-7.6180641015,-2.4165278403,0.1197485438,0.1197485438,GGA+U,P6_3/mmc,ABC3_hP20_194_ac_f_gh:Ca-Mn-O,20.0,ABC3_hP20_194_ac_f_gh:Ca-Mn-O +mp-1017467,CaMnO3,-7.621263018,-2.4197267568,0.1165496273,0.1165496273,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Mn-O,5.0,ABC3_cP5_221_a_b_c:Ca-Mn-O +mp-766102,Ta2MnO6,-10.0280570372,-3.0772011684,0.0228574322,-0.0132334444,GGA+U,P2/c,AB6C2_mP36_13_g_6g_efg:Mn-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_mP36_13_g_23g_2e2f2g:Mn-O-Ta, expected Ta4MnO23 to be Ta2MnO6" +mp-705743,Ta2MnO6,-10.040799904,-3.0899440352,0.0101145654,-0.0259763113,GGA+U,C2/c,AB6C2_mC144_15_4e_12f_2e3f:Mn-O-Ta,72.0,"Invalid WP multiplicities - AB6C2_mC144_15_8e_48f_4e12f:Mn-O-Ta, expected Ta7Mn2O24 to be Ta2MnO6" +mp-760053,Ta2MnO6,-10.0343345483,-3.0834786795,0.0165799211,-0.0195109556,GGA+U,C2/c,AB6C2_mC144_15_2ef_12f_4f:Mn-O-Ta,72.0,"Invalid WP multiplicities - AB6C2_mC144_15_4e3f_47f_13f:Mn-O-Ta, expected Ta13Mn5O47 to be Ta2MnO6" +mp-34475,Ta2MnO6,-10.0400186067,-3.0891627378,0.0108958628,-0.0251950139,GGA+U,Pbcn,AB6C2_oP36_60_c_3d_2c:Mn-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_oP36_60_c_21d_7c:Mn-O-Ta, expected Ta7MnO42 to be Ta2MnO6" +mp-540716,Ta2MnO6,-10.0509144694,-3.1000586006,0.0,-0.0360908767,GGA+U,Pbcn,AB6C2_oP36_60_c_3d_d:Mn-O-Ta,36.0,AB6C2_oP36_60_c_3d_d:Mn-O-Ta +mp-753736,Ta2MnO6,-10.0433833069,-3.0925274381,0.0075311625,-0.0285597142,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Mn-O-Ta,36.0,AB6C2_tP18_136_a_fj_e:Mn-O-Ta +mp-1047836,CaMn4O9,-7.6845060468,-1.7435160861,0.3468770112,0.3468770112,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Ca-Mn-O,28.0,AB4C9_tP28_85_c_g_a2g:Ca-Mn-O +mp-759804,CaMn3O4,-8.4374911862,-2.2776911111,0.0338641313,0.0338641313,GGA+U,Cmmm,AB3C4_oC16_65_a_bf_gj:Ca-Mn-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_bf_2gj:Ca-Mn-O, expected CaMn3O6 to be CaMn3O4" +mp-1227071,CaMn3O4,-8.4307442663,-2.2709441911,0.0406110512,0.0406110512,GGA+U,P4/mmm,AB3C4_tP8_123_a_bh_cdg:Ca-Mn-O,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2h_cd2g:Ca-Mn-O, expected CaMn5O6 to be CaMn3O4" +mp-1247631,Ca2Mn2O5,-7.76726632,-2.5374136644,0.1018874792,0.1018874792,GGA+U,P1,A2B2C5_aP36_1_8a_8a_20a:Ca-Mn-O,36.0,A2B2C5_aP36_1_8a_8a_20a:Ca-Mn-O +mp-1275776,Ca2Mn2O5,-7.7936474717,-2.5637948161,0.0755063275,0.0755063275,GGA+U,P1,A2B2C5_aP18_1_4a_4a_10a:Ca-Mn-O,18.0,A2B2C5_aP18_1_4a_4a_10a:Ca-Mn-O +mp-1247611,Ca2Mn2O5,-7.7029207333,-2.4730680777,0.1662330658,0.1662330658,GGA+U,Cm,A2B2C5_mC72_8_4a2b_4a2b_2a9b:Ca-Mn-O,36.0,"Invalid WP multiplicities - A2B2C5_mC72_8_4a4b_4a4b_2a18b:Ca-Mn-O, expected Ca6Mn6O19 to be Ca2Mn2O5" +mp-1290955,Ca2Mn2O5,-7.8014471494,-2.5715944938,0.0677066497,0.0677066497,GGA+U,Cm,A2B2C5_mC36_8_2b_2ab_2a4b:Ca-Mn-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_8_3b_2ab_2a6b:Ca-Mn-O, expected Ca3Mn2O7 to be Ca2Mn2O5" +mp-1096873,Ca2Mn2O5,-7.7269762961,-2.4971236405,0.1421775031,0.1421775031,GGA+U,Pmn2_1,A2B2C5_oP18_31_2a_b_a2b:Ca-Mn-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_31_2a_b_a3b:Ca-Mn-O, expected Ca2Mn2O7 to be Ca2Mn2O5" +mp-1076014,Ca2Mn2O5,-7.7996788739,-2.5698262183,0.0694749253,0.0694749253,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Mn-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Mn-O +mp-20443,Ca2Mn2O5,-7.8068000344,-2.5769473788,0.0623537647,0.0623537647,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Mn-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Mn-O, expected CaMnO6 to be Ca2Mn2O5" +mp-29747,Ta4Mn11O21,-9.5455611508,-2.5429572156,0.0223932231,0.0223932231,GGA+U,P-3c1,A11B21C4_hP72_165_bc4d_f3g_cd:Mn-O-Ta,72.0,A11B21C4_hP72_165_bc4d_f3g_cd:Mn-O-Ta +mp-675520,Ta9Mn11O34,-9.1119146643,-2.1547001631,0.684035183,0.684035183,GGA+U,Cm,A11B34C9_mC108_8_11a_34a_9a:Mn-O-Ta,54.0,A11B34C9_mC108_8_11a_34a_9a:Mn-O-Ta +mp-1044349,CaMn3O7,-7.6794943634,-1.850542842,0.3172270628,0.3172270628,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Mn-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Mn-O, expected CaMn5O7 to be CaMn3O7" +mp-1046067,CaMn5O7,-8.5311255519,-2.1893949889,0.0428765552,0.0428765552,GGA+U,Cmcm,AB5C7_oC52_63_c_a2f_c3f:Ca-Mn-O,26.0,"Invalid WP multiplicities - AB5C7_oC52_63_c_2a4f_c3f:Ca-Mn-O, expected CaMn10O7 to be CaMn5O7" +mp-558810,Ca2TaMnO6,-8.585856543,-3.114744048,0.0085857822,0.0085857822,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Mn-O-Ta,40.0,A2BC6D_mP20_11_2e_a_2e2f_c:Ca-Mn-O-Ta +mp-31909,Ta2Mn3O8,-9.7319766185,-2.7492757857,0.0295450435,0.0295450435,GGA+U,I4_1/a,A3B8C2_tI104_88_abf_4f_f:Mn-O-Ta,52.0,"Invalid WP multiplicities - A3B8C2_tI104_88_abf_5f_f:Mn-O-Ta, expected Ta2Mn3O10 to be Ta2Mn3O8" +mp-1306705,TaMnO4,-9.5819370812,-2.7808457867,0.0048859881,0.0048859881,GGA+U,P-1,AB4C_aP12_2_i_4i_i:Mn-O-Ta,24.0,AB4C_aP12_2_i_4i_i:Mn-O-Ta +mp-1208589,TaMnO4,-9.5736814292,-2.7725901347,0.0131416402,0.0131416402,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mn-O-Ta,24.0,AB4C_mP12_13_e_2g_f:Mn-O-Ta +mp-755851,Ta2Mn2O7,-9.800761905,-2.8310885575,0.0791477236,0.0791477236,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Mn-O-Ta,22.0,A2B7C2_cF88_227_c_af_d:Mn-O-Ta +mp-1003319,CaMn8O16,-8.1773079908,-1.9993583269,0.0078012041,0.0078012041,GGA+U,Pc,AB8C16_mP50_7_a_8a_16a:Ca-Mn-O,50.0,"Invalid WP multiplicities - AB8C16_mP50_7_a_16a_32a:Ca-Mn-O, expected CaMn16O32 to be CaMn8O16" +mp-1080217,CaMn12O24,-8.12332357,-1.888990801,0.0531477371,0.0531477371,GGA+U,Pc,AB12C24_mP74_7_a_12a_24a:Ca-Mn-O,74.0,"Invalid WP multiplicities - AB12C24_mP74_7_a_24a_48a:Ca-Mn-O, expected CaMn24O48 to be CaMn12O24" +mp-18952,Ca4Mn2O7,-7.4976473112,-2.8073972279,0.0372437298,0.0372437298,GGA+U,Cmce,A4B2C7_oC52_64_g_f_afg:Ca-Mn-O,26.0,A4B2C7_oC52_64_g_f_afg:Ca-Mn-O +mp-1042706,CaMn4O6,-8.4455995341,-2.2334365054,0.0447289298,0.0447289298,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Mn-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Ca-Mn-O, expected CaMn12O6 to be CaMn4O6" +mp-1227324,Ca2MnO3,-7.5095785633,-2.8406983657,0.023690375,0.023690375,GGA+U,I4/mmm,A2BC3_tI12_139_e_a_be:Ca-Mn-O,24.0,A2BC3_tI12_139_e_a_be:Ca-Mn-O +mp-1003318,CaMn16O32,-8.1672144918,-1.9041148324,0.0048497297,0.0048497297,GGA+U,Pm,AB16C32_mP49_6_a_4a4b4c_8a8b8c:Ca-Mn-O,49.0,AB16C32_mP49_6_a_4a4b4c_8a8b8c:Ca-Mn-O +mp-1045861,Ca2Mn9O13,-8.4875134904,-2.2051680473,0.0481381969,0.0481381969,GGA+U,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Ca-Mn-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Ca-Mn-O +mp-1016145,CaMn3O6,-8.05000872,-2.1328309176,0.1577712855,0.1577712855,GGA+U,Cm,AB3C6_mC20_8_a_3a_6a:Ca-Mn-O,10.0,AB3C6_mC20_8_a_3a_6a:Ca-Mn-O +mp-560083,CaMn3O6,-8.1946227656,-2.2774449633,0.0131572399,0.0131572399,GGA+U,P2_1/c,AB3C6_mP80_14_2e_6e_12e:Ca-Mn-O,80.0,AB3C6_mP80_14_2e_6e_12e:Ca-Mn-O +mp-1277753,CaMn7O12,-8.3866258603,-2.1116272873,0.0410154242,0.0410154242,GGA+U,P-1,AB7C12_aP40_2_i_abcdefgh3i_12i:Ca-Mn-O,40.0,"Invalid WP multiplicities - AB7C12_aP40_2_i_2ab4df6i_24i:Ca-Mn-O, expected CaMn10O24 to be CaMn7O12" +mp-1285188,CaMn7O12,-8.4062556478,-2.1312570748,0.0213856367,0.0213856367,GGA+U,C2/m,AB7C12_mC40_12_a_bcdef_2i2j:Ca-Mn-O,40.0,"Invalid WP multiplicities - AB7C12_mC80_12_ad_bc2e2f2i2j_6i11j:Ca-Mn-O, expected CaMn11O28 to be CaMn7O12" +mp-1105355,CaMn7O12,-8.406575813,-2.13157724,0.0210654715,0.0210654715,GGA+U,R-3,AB7C12_hR60_148_a_bde_2f:Ca-Mn-O,20.0,AB7C12_hR60_148_a_bde_2f:Ca-Mn-O +mp-29283,CaMn7O12,-8.4079417775,-2.1329432045,0.019699507,0.019699507,GGA+U,Im-3,AB7C12_cI40_204_a_bc_g:Ca-Mn-O,20.0,AB7C12_cI40_204_a_bc_g:Ca-Mn-O +mp-1247698,Ca4Mn4O11,-7.7369622095,-2.5220129194,0.0630646666,0.0630646666,GGA+U,P1,A4B4C11_aP76_1_16a_16a_44a:Ca-Mn-O,76.0,A4B4C11_aP76_1_16a_16a_44a:Ca-Mn-O +mp-698549,Ca4Mn4O11,-7.7389760692,-2.5240267791,0.0610508069,0.0610508069,GGA+U,P2_1,A4B4C11_mP38_4_4a_4a_11a:Ca-Mn-O,38.0,"Invalid WP multiplicities - A4B4C11_mP38_4_6a_7a_20a:Ca-Mn-O, expected Ca6Mn7O20 to be Ca4Mn4O11" +mp-1247612,Ca4Mn4O11,-7.6766262816,-2.4616769915,0.1234005945,0.1234005945,GGA+U,P4/mmm,A4B4C11_tP19_123_ef_gh_abcr:Ca-Mn-O,19.0,"Invalid WP multiplicities - A4B4C11_tP19_123_2e2f_gh_abcr:Ca-Mn-O, expected Ca8Mn4O11 to be Ca4Mn4O11" +mp-753586,Ca5Mn8O13,-8.1295328277,-2.4514145591,0.0387484288,0.0387484288,GGA+U,R3m,A5B8C13_hR78_160_5a_8a_13a:Ca-Mn-O,26.0,A5B8C13_hR78_160_5a_8a_13a:Ca-Mn-O +mp-753847,Ca5Mn4O9,-7.7570288461,-2.6905700145,0.02639646,0.02639646,GGA+U,Cm,A5B4C9_mC36_8_5a_4a_9a:Ca-Mn-O,18.0,A5B4C9_mC36_8_5a_4a_9a:Ca-Mn-O +mp-1247596,Ca8Mn8O21,-7.7447015291,-2.5225019531,0.0889546609,0.0889546609,GGA+U,P1,A8B8C21_aP148_1_32a_32a_84a:Ca-Mn-O,148.0,A8B8C21_aP148_1_32a_32a_84a:Ca-Mn-O +mp-1247659,Ca8Mn8O21,-7.7115988214,-2.4893992453,0.1220573687,0.1220573687,GGA+U,Pm,A8B8C21_mP37_6_4c_4a4b_6a7b4c:Ca-Mn-O,37.0,"Invalid WP multiplicities - A8B8C21_mP37_6_8c_4a4b_6a7b8c:Ca-Mn-O, expected Ca16Mn8O29 to be Ca8Mn8O21" +mp-1214143,Ca3Mn2O12,-6.4069539534,-1.4833601440000002,0.398459358,0.398459358,GGA+U,Ia-3d,A3B2C12_cI136_230_c_a_h:Ca-Mn-O,68.0,A3B2C12_cI136_230_c_a_h:Ca-Mn-O +mp-554162,Ca4Mn3O10,-7.6038171509,-2.6052681798,0.0216410462,0.0216410462,GGA+U,Pbca,A4B3C10_oP68_61_2c_ac_5c:Ca-Mn-O,68.0,"Invalid WP multiplicities - A4B3C10_oP68_61_5c_3a3c_32c:Ca-Mn-O, expected Ca10Mn9O64 to be Ca4Mn3O10" +mp-1047286,CaMn2O4,-8.0522389176,-2.3213267306,0.1273017285,0.0824337593,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Mn-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Mn-O +mp-1041329,CaMn2O4,-8.1008933914,-2.3699812044,0.0786472546,0.0337792855,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Mn-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Mn-O +mp-1291748,CaMn2O4,-8.0922193021,-2.3613071151,0.0873213439,0.0424533748,GGA+U,P1,AB2C4_aP28_1_4a_8a_16a:Ca-Mn-O,28.0,AB2C4_aP28_1_4a_8a_16a:Ca-Mn-O +mp-1042262,CaMn2O4,-8.1345650268,-2.4036528398,0.0449756193,0.0001076501,GGA+U,P-1,AB2C4_aP28_2_2i_abcg2i_8i:Ca-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_aP28_2_2i_abcg4i_16i:Ca-Mn-O, expected CaMn3O8 to be CaMn2O4" +mp-1003311,CaMn2O4,-8.1401907471,-2.4092785601,0.0393498989,-0.0055180702,GGA+U,P-1,AB2C4_aP7_2_a_i_2i:Ca-Mn-O,7.0,AB2C4_aP7_2_a_i_2i:Ca-Mn-O +mp-1003548,CaMn2O4,-8.1024128411,-2.3715006541,0.077127805,0.0322598358,GGA+U,C2,AB2C4_mC56_5_abc_4c_8c:Ca-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC56_5_abc_6c_16c:Ca-Mn-O, expected CaMn3O8 to be CaMn2O4" +mp-1325286,CaMn2O4,-8.0574215593,-2.3265093723,0.1221190868,0.0772511176,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Mn-O, expected Ca4Mn11O24 to be CaMn2O4" +mp-1445065,CaMn2O4,-8.0311074414,-2.3001952544,0.1484332046,0.1035652355,GGA+U,Cm,AB2C4_mC28_8_2a_4a_8a:Ca-Mn-O,14.0,AB2C4_mC28_8_2a_4a_8a:Ca-Mn-O +mp-1041061,CaMn2O4,-8.1157325298,-2.3848203427,0.0638081163,0.0189401471,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a11b:Ca-Mn-O, expected Ca3Mn9O17 to be CaMn2O4" +mp-1301849,CaMn2O4,-8.0958781968,-2.3649660098,0.0836624493,0.0387944801,GGA+U,Cm,AB2C4_mC28_8_2a_2ab_4a2b:Ca-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC28_8_2a_2a2b_4a4b:Ca-Mn-O, expected CaMn3O6 to be CaMn2O4" +mp-1305921,CaMn2O4,-8.0952644579,-2.3643522708,0.0842761882,0.039408219,GGA+U,Cc,AB2C4_mC56_9_2a_4a_8a:Ca-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC56_9_2a_5a_10a:Ca-Mn-O, expected Ca2Mn5O10 to be CaMn2O4" +mp-1392420,CaMn2O4,-8.0321403114,-2.3012281244,0.1474003346,0.1025323655,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Mn-O, expected CaMn3O7 to be CaMn2O4" +mp-1004038,CaMn2O4,-8.0884597807,-2.3575475937,0.0910808654,0.0462128962,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ca-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_6e_11e:Ca-Mn-O, expected CaMn6O11 to be CaMn2O4" +mp-18844,CaMn2O4,-8.1795406461,-2.4486284591,0.0,-0.0448679692,GGA+U,Pbcm,AB2C4_oP28_57_d_e_cde:Ca-Mn-O,28.0,AB2C4_oP28_57_d_e_cde:Ca-Mn-O +mp-1327610,CaMn2O4,-8.130686535,-2.399774348,0.0488541111,0.0039861419,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Mn-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Mn-O +mp-1047671,CaMn2O4,-8.1336569857,-2.4027447987,0.0458836604,0.0010156912,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Mn-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Mn-O +mp-1042028,CaMn2O4,-8.0079093764,-2.2769971894,0.1716312696,0.1267633005,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Mn-O, expected CaMn2O10 to be CaMn2O4" +mp-1406794,CaMn2O4,-8.1392649029,-2.4083527158,0.0402757432,-0.004592226,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Ca-Mn-O,14.0,AB2C4_tI28_88_a_d_f:Ca-Mn-O +mp-1287570,CaMn2O4,-8.14181893,-2.410906743,0.0377217161,-0.0071462531,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Ca-Mn-O +mp-1048908,CaMn2O4,-8.0780172457,-2.3471050587,0.1015234004,0.0566554312,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Mn-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Mn-O +mp-18893,Ca2Mn3O8,-7.8847376931,-2.4177565141,0.0,-0.0768296825,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Mn-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Mn-O +mp-1042829,Ca2Mn3O8,-7.7799990631,-2.3130178841,0.10473863,0.0279089475,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Mn-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Mn-O, expected Ca2Mn3O12 to be Ca2Mn3O8" +mp-1371777,Ca3Mn2O7,-7.3782017092,-2.4642307756,0.2004421344,0.2004421344,GGA+U,P2_1,A3B2C7_mP24_4_3a_2a_7a:Ca-Mn-O,24.0,"Invalid WP multiplicities - A3B2C7_mP24_4_5a_4a_12a:Ca-Mn-O, expected Ca5Mn4O12 to be Ca3Mn2O7" +mp-19042,Ca3Mn2O7,-7.5620495775,-2.6480786439,0.0165942661,0.0165942661,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Mn-O,24.0,A3B2C7_oC48_36_ab_b_a3b:Ca-Mn-O +mp-18395,Ca3Mn2O7,-7.55242033,-2.6384493964,0.0262235136,0.0262235136,GGA+U,Cmcm,A3B2C7_oC48_63_cg_g_c2eg:Ca-Mn-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_63_cg_g_c3eg:Ca-Mn-O, expected Ca3Mn2O9 to be Ca3Mn2O7" +mp-19124,Ca3Mn2O7,-7.5213055908,-2.6073346573,0.0573382528,0.0573382528,GGA+U,I4/mmm,A3B2C7_tI24_139_ae_e_beg:Ca-Mn-O,12.0,A3B2C7_tI24_139_ae_e_beg:Ca-Mn-O +mp-1205312,Ca2MnO4,-7.4439567604,-2.7353896322,0.020995082,0.020995082,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:Ca-Mn-O,28.0,A2BC4_tI14_139_e_a_ce:Ca-Mn-O +mp-19050,Ca2MnO4,-7.4576780339,-2.7491109058000003,0.0072738085,0.0072738085,GGA+U,I4_1/acd,A2BC4_tI56_142_d_a_df:Ca-Mn-O,28.0,A2BC4_tI56_142_d_a_df:Ca-Mn-O +mp-1046302,CaMnO2,-7.7560441237,-2.4907959751,0.1524593662,0.1524593662,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Mn-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Mn-O, expected Ca2Mn3O7 to be CaMnO2" +mp-1048196,CaMnO2,-7.7725834612,-2.5073353126,0.1359200288,0.1359200288,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Mn-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Mn-O, expected Ca2Mn3O7 to be CaMnO2" +mp-1390297,CaMnO2,-7.8817509006,-2.616502752,0.0267525894,0.0267525894,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Ca-Mn-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_2e_3e_7e:Ca-Mn-O, expected Ca2Mn3O7 to be CaMnO2" +mp-1003322,CaMnO2,-7.8913139244,-2.6260657757,0.0171895656,0.0171895656,GGA+U,Pmmn,ABC2_oP8_59_a_a_2b:Ca-Mn-O,16.0,ABC2_oP8_59_a_a_2b:Ca-Mn-O +mp-1004037,CaMnO2,-7.7517819962,-2.4865338476,0.1567214938,0.1567214938,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Ca-Mn-O,16.0,ABC2_oP16_62_c_c_2c:Ca-Mn-O +mp-1227032,CaMnO2,-7.8711227313,-2.6058745826000003,0.0373807587,0.0373807587,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Mn-O,8.0,ABC2_tP4_123_a_d_bc:Ca-Mn-O +mp-1003402,CaMnO2,-7.88828553,-2.6230373814,0.02021796,0.02021796,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ca-Mn-O,16.0,ABC2_hR12_166_a_b_c:Ca-Mn-O +mp-1003486,CaMnO2,-7.8832698637,-2.6180217151000003,0.0252336262,0.0252336262,GGA+U,Fd-3m,ABC2_cF64_227_c_d_e:Ca-Mn-O,16.0,ABC2_cF64_227_c_d_e:Ca-Mn-O +mp-1003923,CaMn4O8,-8.129118829,-2.1116441569,0.0805751235,0.0805751235,GGA+U,P1,AB4C8_aP52_1_4a_16a_32a:Ca-Mn-O,52.0,AB4C8_aP52_1_4a_16a_32a:Ca-Mn-O +mp-1003483,CaMn4O8,-8.1827146862,-2.165240014,0.0269792664,0.0269792664,GGA+U,P-1,AB4C8_aP13_2_a_2i_4i:Ca-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_4i_8i:Ca-Mn-O, expected CaMn8O16 to be CaMn4O8" +mp-1392855,CaMn4O8,-8.09978803,-2.0823133578,0.1099059225,0.1099059225,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Ca-Mn-O,13.0,AB4C8_mC26_8_a_4a_8a:Ca-Mn-O +mp-1003320,CaMn4O8,-8.1504995033,-2.1330248311,0.0591944493,0.0591944493,GGA+U,P2_1/c,AB4C8_mP52_14_e_4e_8e:Ca-Mn-O,52.0,"Invalid WP multiplicities - AB4C8_mP52_14_e_14e_30e:Ca-Mn-O, expected CaMn14O30 to be CaMn4O8" +mp-1080213,CaMn4O8,-8.1345711927,-2.1170965205,0.0751227599,0.0751227599,GGA+U,Cmc2_1,AB4C8_oC52_36_a_2ab_4a2b:Ca-Mn-O,26.0,"Invalid WP multiplicities - AB4C8_oC52_36_a_3ab_8a3b:Ca-Mn-O, expected CaMn5O14 to be CaMn4O8" +mp-1442990,CaMn4O8,-8.1552741215,-2.1377994494,0.054419831,0.054419831,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Mn-O, expected CaMn4O14 to be CaMn4O8" +mp-1446711,CaMn2O5,-7.6302644537,-1.9973802012,0.305799117,0.305799117,GGA+U,Pmc2_1,AB2C5_oP16_26_a_2b_2a3b:Ca-Mn-O,16.0,"Invalid WP multiplicities - AB2C5_oP16_26_a_4b_4a6b:Ca-Mn-O, expected CaMn4O10 to be CaMn2O5" +mp-1444407,CaMn2O5,-7.73382573,-2.1009414775,0.2022378408,0.2022378408,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Mn-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Mn-O +mp-1043242,CaMn2O5,-7.621189275,-1.9883050225,0.3148742958,0.3148742958,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Mn-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Mn-O +mp-1345521,Ca3Ta2Mn2O12,-8.5661614305,-2.9126535348,0.0856340916,0.0856340916,GGA+U,Pm,A3B2C12D2_mP19_6_2ab_c_2a2b4c_c:Ca-Mn-O-Ta,19.0,"Invalid WP multiplicities - A3B2C12D2_mP19_6_2ab_c_2a2b8c_c:Ca-Mn-O-Ta, expected Ca3Ta2Mn2O20 to be Ca3Ta2Mn2O12" +mp-753132,CaMn7O8,-8.7198841413,-2.1128081028,0.03289709,0.03289709,GGA+U,C2/m,AB7C8_mC32_12_a_behi_2ij:Ca-Mn-O,16.0,"Invalid WP multiplicities - AB7C8_mC32_12_a_bf2hi_4i2j:Ca-Mn-O, expected CaMn9O16 to be CaMn7O8" +mp-1003639,Ca3Mn4O8,-7.8909302607,-2.4083722274,0.1440572355,0.1440572355,GGA+U,Pc,A3B4C8_mP60_7_6a_8a_16a:Ca-Mn-O,60.0,"Invalid WP multiplicities - A3B4C8_mP60_7_11a_16a_32a:Ca-Mn-O, expected Ca11Mn16O32 to be Ca3Mn4O8" +mp-1247706,Ca8Mn8O23,-7.7089469422,-2.5008761285,0.0591752001,0.0591752001,GGA+U,P1,A8B8C23_aP156_1_32a_32a_92a:Ca-Mn-O,156.0,A8B8C23_aP156_1_32a_32a_92a:Ca-Mn-O +mp-1247674,Ca8Mn8O23,-7.6685278454,-2.4604570317,0.099594297,0.099594297,GGA+U,P4/mmm,A8B8C23_tP39_123_jk_ghi_abcefst:Ca-Mn-O,39.0,"Invalid WP multiplicities - A8B8C23_tP39_123_4j4k_ghi_abc2e2f3s3t:Ca-Mn-O, expected Ca32Mn8O59 to be Ca8Mn8O23" +mp-698762,Ta2Mn4O9,-9.4758277692,-2.4835734473,0.1988760504,0.1708040453,GGA+U,P1,A4B9C2_aP90_1_24a_54a_12a:Mn-O-Ta,90.0,A4B9C2_aP90_1_24a_54a_12a:Mn-O-Ta +mp-690508,Ta2Mn4O9,-9.6538669787,-2.6616126567,0.020836841,-0.0072351641,GGA+U,Cc,A4B9C2_mC60_9_4a_9a_2a:Mn-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_mC60_9_7a_16a_3a:Mn-O-Ta, expected Ta3Mn7O16 to be Ta2Mn4O9" +mp-17993,Ta2Mn4O9,-9.6747038197,-2.6824494977,0.0,-0.0280720051,GGA+U,P-3c1,A4B9C2_hP30_165_2d_fg_c:Mn-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_hP30_165_4d_fg_c:Mn-O-Ta, expected Ta2Mn8O9 to be Ta2Mn4O9" +mp-753361,Ca5MnO6,-7.1440611483,-3.0715489017,0.0139732383,0.0139732383,GGA+U,C2/m,A5BC6_mC24_12_a2i_d_3i:Ca-Mn-O,48.0,A5BC6_mC24_12_a2i_c_3i:Ca-Mn-O +mp-31900,TaMn2O3,-8.82216825,-1.3185225254,1.0065214251,1.0065214251,GGA+U,P6/mmm,A2B3C_hP6_191_d_f_a:Mn-O-Ta,6.0,A2B3C_hP6_191_d_f_a:Mn-O-Ta +mp-1046172,Ca2Ta2MnO8,-9.0788090119,-3.1970951656,0.0573960445,0.0573960445,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Ca-Mn-O-Ta,52.0,A2BC8D2_mC52_15_f_e_4f_f:Ca-Mn-O-Ta +mp-1227657,Ca3MnO4,-7.3279860213,-2.9572897991,0.0176656412,0.0176656412,GGA+U,C2/m,A3BC4_mC16_12_ai_d_2i:Ca-Mn-O,16.0,A3BC4_mC16_12_ai_c_2i:Ca-Mn-O +mp-752736,Ca3MnO4,-7.3250721959,-2.9543759738,0.0205794666,0.0205794666,GGA+U,Cmmm,A3BC4_oC16_65_af_b_gj:Ca-Mn-O,32.0,A3BC4_oC16_65_af_b_gj:Ca-Mn-O +mp-1143109,Si2MoO7,-8.0461402445,-2.4138295296,0.3172001926,0.3172001926,GGA+U,C2/c,AB7C2_mC80_15_ae_7f_2f:Mo-O-Si,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_ce_27f_5f:Mo-O-Si, expected Si5MoO27 to be Si2MoO7" +mp-1043698,Si4MoO10,-8.2855860233,-2.8179987338,0.2009076143,0.2009076143,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Mo-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Mo-O-Si, expected Si4MoO22 to be Si4MoO10" +mp-1142857,SiMoO4,-8.3751926171,-2.3655721196,0.2796456171,0.2796456171,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Mo-O-Si,72.0,AB4C_cI144_230_c_h_d:Mo-O-Si +mp-1103526,Zn4Si2O9,-6.1653974913,-2.1380768979,0.1465835348,0.1465835348,GGA,Imm2,A9B2C4_oI30_44_acde_c_e:O-Si-Zn,15.0,A9B2C4_oI30_44_acde_c_e:O-Si-Zn +mp-1186997,SiMoO3,-7.897829032,-1.6756221772000002,0.8919180915,0.8919180915,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Mo-O-Si,5.0,AB3C_cP5_221_a_c_b:Mo-O-Si +mp-1154656,Zn3Si3(MoO6)2,-7.3891234212,-2.3337859375,0.1416835374,0.1416835374,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Mo-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Mo-O-Si-Zn +mp-1143048,Si2MoO6,-8.4631311711,-2.7546402336,0.0981822872,0.0981822872,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Mo-O-Si,18.0,AB6C2_mC36_15_e_3f_f:Mo-O-Si +mp-1042209,Si2MoO6,-8.3801976504,-2.6717067129,0.1811158079,0.1811158079,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Mo-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Mo-O-Si, expected Si8MoO41 to be Si2MoO6" +mp-1020721,Zn2SiO4,-6.2988784207,-2.3372269786,0.110623485,0.0870926364,GGA,P2_1/c,A4BC2_mP28_14_4e_e_2e:O-Si-Zn,28.0,A4BC2_mP28_14_4e_e_2e:O-Si-Zn +mp-1020610,Zn2SiO4,-6.1977858771,-2.236134435,0.2117160286,0.18818518,GGA,Pbca,A4BC2_oP28_61_2c_a_c:O-Si-Zn,28.0,A4BC2_oP28_61_2c_a_c:O-Si-Zn +mp-1020636,Zn2SiO4,-6.3579478846,-2.3962964425,0.0515540211,0.0280231725,GGA,Pbca,A4BC2_oP56_61_4c_c_2c:O-Si-Zn,56.0,A4BC2_oP56_61_4c_c_2c:O-Si-Zn +mp-1020594,Zn2SiO4,-6.3994304225,-2.4377789804,0.0100714832,-0.0134593654,GGA,Pnma,A4BC2_oP28_62_2cd_c_d:O-Si-Zn,28.0,A4BC2_oP28_62_2cd_c_d:O-Si-Zn +mp-1020609,Zn2SiO4,-6.3261513689,-2.3644999268,0.0833505368,0.0598196882,GGA,Pnma,A4BC2_oP28_62_2cd_c_ac:O-Si-Zn,28.0,A4BC2_oP28_62_2cd_c_ac:O-Si-Zn +mp-1020717,Zn2SiO4,-6.2874435725,-2.3257921304,0.1220583332,0.0985274846,GGA,Imma,A4BC2_oI56_74_2ehj_h_aeg:O-Si-Zn,28.0,A4BC2_oI56_74_2ehj_h_aeg:O-Si-Zn +mp-556163,Zn2SiO4,-6.3837483271,-2.422096885,0.0257535786,0.00222273,GGA,I-42d,A4BC2_tI28_122_e_a_d:O-Si-Zn,14.0,A4BC2_tI28_122_e_a_d:O-Si-Zn +mp-3789,Zn2SiO4,-6.4095019057,-2.4478504636,0.0,-0.0235308486,GGA,R-3,A4BC2_hR126_148_4f_f_2f:O-Si-Zn,42.0,A4BC2_hR126_148_4f_f_2f:O-Si-Zn +mp-558096,Zn2SiO4,-6.2649672264,-2.3033157843,0.1445346793,0.1210038307,GGA,Fd-3m,A4BC2_cF56_227_e_a_d:O-Si-Zn,14.0,A4BC2_cF56_227_e_a_d:O-Si-Zn +mp-1105595,Zn2SiO5,-5.799155355,-1.7143742542,0.4274949014,0.4274949014,GGA,Imm2,A5BC2_oI32_44_abcde_c_e:O-Si-Zn,16.0,A5BC2_oI32_44_abcde_c_e:O-Si-Zn +mp-1189355,Zn2SiO5,-5.8001532119,-1.7153721111,0.4264970445,0.4264970445,GGA,Imm2,A5BC2_oI32_44_abcde_c_e:O-Si-Zn,16.0,A5BC2_oI32_44_abcde_c_e:O-Si-Zn +mp-1047015,Zn3Si4(MoO7)2,-7.5296325535,-2.4676566784,0.1111905288,0.1111905288,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Mo-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Mo-O-Si-Zn, expected Zn3Si5MoO27 to be Zn3Si4(MoO7)2" +mp-1143651,Si3(MoO6)2,-8.1836020796,-2.4584539122,0.1778106865,0.1778106865,GGA+U,Ia-3d,A2B12C3_cI136_230_a_h_d:Mo-O-Si,68.0,A2B12C3_cI136_230_a_h_d:Mo-O-Si +mp-641917,ZnSiO3,-6.941780636,-2.6367550812,0.05714987,0.05714987,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-Si-Zn,40.0,"Invalid WP multiplicities - A3BC_mP40_14_22e_7e_4e:O-Si-Zn, expected Zn4Si7O22 to be ZnSiO3" +mp-562182,ZnSiO3,-6.95038914,-2.6453635853,0.048541366,0.048541366,GGA,C2/c,A3BC_mC40_15_3f_f_2e:O-Si-Zn,20.0,"Invalid WP multiplicities - A3BC_mC40_15_6f_f_3e:O-Si-Zn, expected Zn3(SiO6)2 to be ZnSiO3" +mp-619034,ZnSiO3,-6.9453006279,-2.6402750731,0.0536298781,0.0536298781,GGA,Pbca,A3BC_oP80_61_6c_2c_2c:O-Si-Zn,80.0,"Invalid WP multiplicities - A3BC_oP80_61_40c_9c_9c:O-Si-Zn, expected Zn9Si9O40 to be ZnSiO3" +mp-1178612,ZnSiO3,-6.9622586685000005,-2.6572331138000003,0.0366718375,0.0366718375,GGA,Ibam,A3BC_oI40_72_f2j_j_g:O-Si-Zn,20.0,A3BC_oI40_72_f2j_j_g:O-Si-Zn +mp-1020623,ZnSiO3,-6.850865412,-2.5458398573,0.148065094,0.148065094,GGA,R-3,A3BC_hR30_148_f_c_c:O-Si-Zn,10.0,A3BC_hR30_148_f_c_c:O-Si-Zn +mp-1016876,ZnSiO3,-6.420110908,-2.1150853533,0.578819598,0.578819598,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Zn,5.0,A3BC_cP5_221_c_b_a:O-Si-Zn +mp-723064,Ti3(BiO3)4,-7.7394568121,-2.5600517013,0.0012566279,0.0012566279,GGA,Pc,A4B12C3_mP38_7_4a_12a_3a:Bi-O-Ti,38.0,A4B12C3_mP38_7_4a_12a_3a:Bi-O-Ti +mp-558277,Ti3(BiO3)4,-7.7336330539,-2.5542279432,0.0070803861,0.0070803861,GGA,Cc,A4B12C3_mC76_9_4a_12a_3a:Bi-O-Ti,38.0,"Invalid WP multiplicities - A4B12C3_mC76_9_7a_24a_5a:Bi-O-Ti, expected Ti5Bi7O24 to be Ti3(BiO3)4" +mp-1179025,Ti3(BiO3)4,-7.7005957568,-2.5211906461,0.0401176832,0.0401176832,GGA,C2/m,A4B12C3_mC38_12_2i_eh2ij_ai:Bi-O-Ti,19.0,"Invalid WP multiplicities - A4B12C3_mC38_12_3i_2e2g2i4j_ci:Bi-O-Ti, expected Ti3(Bi3O14)2 to be Ti3(BiO3)4" +mp-622198,Ti3(BiO3)4,-7.7010723297,-2.5216672189,0.0396411103,0.0396411103,GGA,Aea2,A4B12C3_oC76_41_2b_6b_ab:Bi-O-Ti,38.0,"Invalid WP multiplicities - A4B12C3_oC76_41_5b_21b_2a2b:Bi-O-Ti, expected Ti3Bi5O21 to be Ti3(BiO3)4" +mp-23427,Ti3(BiO3)4,-7.7351560263,-2.5557509155,0.0055574137,0.0055574137,GGA,Aea2,A4B12C3_oC76_41_2b_6b_ab:Bi-O-Ti,38.0,"Invalid WP multiplicities - A4B12C3_oC76_41_2b_7b_ab:Bi-O-Ti, expected Ti3(Bi2O7)2 to be Ti3(BiO3)4" +mp-23335,Ti3(BiO3)4,-7.6767498595,-2.4973447487,0.0639635805,0.0639635805,GGA,I4/mmm,A4B12C3_tI38_139_2e_cd2eg_ae:Bi-O-Ti,19.0,"Invalid WP multiplicities - A4B12C3_tI38_139_2e_c2d4e2g_ae:Bi-O-Ti, expected Ti3(Bi2O11)2 to be Ti3(BiO3)4" +mp-752676,TiBi2O5,-7.4235766981,-2.384837469,0.0,-0.0118155673,GGA,Cmc2_1,A2B5C_oC32_36_b_a2b_a:Bi-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_36_b_a3b_a:Bi-O-Ti, expected TiBi2O7 to be TiBi2O5" +mp-773887,TiBi2O5,-7.4060906722,-2.3673514431,0.0174860259,0.0056704586,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Bi-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Bi-O-Ti, expected TiBi5O17 to be TiBi2O5" +mp-755121,TiBi2O5,-7.3305538725,-2.2918146434,0.0930228256,0.0812072583,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Bi-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Bi-O-Ti, expected TiBi2O9 to be TiBi2O5" +mp-1219886,PrTi6Bi7O24,-7.8990951687,-2.694942252,0.0151912098,0.0151912098,GGA,P1,A7B24CD6_aP38_1_7a_24a_a_6a:Bi-O-Pr-Ti,38.0,A7B24CD6_aP38_1_7a_24a_a_6a:Bi-O-Pr-Ti +mp-23494,Ti(Bi3O5)4,-6.4638717024,-1.8300797084,0.0073874532,0.0073874532,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Ti,33.0,A12B20C_cI66_197_f_2cf_a:Bi-O-Ti +mp-753948,PrTiO3,-9.03430902,-3.5310162389,0.05882948,0.05882948,GGA,R-3c,A3BC_hR30_167_e_a_b:O-Pr-Ti,10.0,A3BC_hR30_167_e_a_b:O-Pr-Ti +mp-754696,PrTiO3,-8.988493486,-3.4852007049,0.104645014,0.104645014,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pr-Ti,5.0,A3BC_cP5_221_c_a_b:O-Pr-Ti +mp-756241,PrBiO4,-7.1496341608,-2.4149425392,0.0,-0.1197705033,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Bi-O-Pr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Bi-O-Pr, expected PrBiO13 to be PrBiO4" +mp-770111,PrBiO4,-7.13430518,-2.3996135583,0.0153289808,-0.1044415225,GGA,Pnna,AB4C_oP24_52_c_2e_d:Bi-O-Pr,24.0,"Invalid WP multiplicities - AB4C_oP24_52_c_5e_d:Bi-O-Pr, expected PrBiO10 to be PrBiO4" +mp-1044472,Pr(BiO3)2,-6.6561145756,-1.9736683219,0.128669165,0.128669165,GGA,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Bi-O-Pr,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_4a4b_a:Bi-O-Pr, expected Pr(BiO6)2 to be Pr(BiO3)2" +mp-545539,Pr2BiO2,-7.49844836,-2.8393127475,0.0,-0.0882568928,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-O-Pr,5.0,AB2C2_tI10_139_a_d_e:Bi-O-Pr +mp-28962,Ti4Bi2O11,-8.4807854994,-2.9704018435,0.0061320391,0.0061320391,GGA,C2/m,A2B11C4_mC34_12_i_a5i_2i:Bi-O-Ti,17.0,A2B11C4_mC34_12_i_a5i_2i:Bi-O-Ti +mp-559154,Ti4Bi2O11,-8.4814974874,-2.9711138314000003,0.0054200512,0.0054200512,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Bi-O-Ti,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_2e17f_6f:Bi-O-Ti, expected Ti6BiO18 to be Ti4Bi2O11" +mp-1044451,PrTi2O6,-8.896323497200001,-3.312765491,0.1267781802,0.1267781802,GGA,Pmn2_1,A6BC2_oP18_31_2a2b_a_b:O-Pr-Ti,18.0,"Invalid WP multiplicities - A6BC2_oP18_31_4a4b_a_b:O-Pr-Ti, expected PrTi2O12 to be PrTi2O6" +mp-976727,PrBiO3,-6.625798072,-1.9335058683,0.7655784769,0.7655784769,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-O-Pr,5.0,AB3C_cP5_221_b_c_a:Bi-O-Pr +mp-1105121,Ti8BiO7,-8.89911935,-2.5471664599,0.0243849856,0.0243849856,GGA,Cmmm,AB7C8_oC32_65_a_bhq_hjp:Bi-O-Ti,16.0,AB7C8_oC32_65_a_bhq_hjp:Bi-O-Ti +mp-1200889,Ti2Bi2O7,-7.9598106002,-2.67810303,0.011547743,0.011547743,GGA,Pna2_1,A2B7C2_oP44_33_2a_7a_2a:Bi-O-Ti,44.0,A2B7C2_oP44_33_2a_7a_2a:Bi-O-Ti +mp-559482,Ti2Bi2O7,-7.9265165445,-2.6448089744,0.0448417986,0.0448417986,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Bi-O-Ti, expected TiBiO7 to be Ti2Bi2O7" +mp-1391774,Ti(BiO3)2,-6.8778895111,-1.8493781173,0.3028688878,0.3028688878,GGA,P4mm,A2B6C_tP9_99_c_abd_a:Bi-O-Ti,9.0,"Invalid WP multiplicities - A2B6C_tP9_99_c_ab2d_a:Bi-O-Ti, expected Ti(BiO5)2 to be Ti(BiO3)2" +mp-1386663,Ti(BiO3)2,-6.8752787856,-1.8467673918,0.3054796133,0.3054796133,GGA,P4mm,A2B6C_tP9_99_2b_2a2c_a:Bi-O-Ti,9.0,"Invalid WP multiplicities - A2B6C_tP9_99_2b_2a4c_a:Bi-O-Ti, expected Ti(BiO5)2 to be Ti(BiO3)2" +mp-1397541,Ti(BiO3)2,-6.8829519067,-1.8544405129,0.2978064922,0.2978064922,GGA,I4mm,A2B6C_tI18_107_b_2ac_a:Bi-O-Ti,9.0,A2B6C_tI18_107_b_2ac_a:Bi-O-Ti +mp-15201,Pr2Ti2O7,-9.1705895548,-3.7178971437,0.0,-0.0280124993,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Pr-Ti,44.0,A7B2C2_mP44_4_14a_4a_4a:O-Pr-Ti +mp-1195324,Pr2TiO5,-9.0340024275,-3.7601590421,0.0,-0.0366484974,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Pr-Ti,32.0,A5B2C_oP32_62_5c_2c_c:O-Pr-Ti +mp-553898,GePbO3,-6.5520294973,-1.9168812856,0.0131102437,-0.0104750842,GGA,P2/c,AB3C_mP60_13_3g_af8g_3g:Ge-O-Pb,60.0,"Invalid WP multiplicities - AB3C_mP60_13_10g_2a2f28g_8g:Ge-O-Pb, expected Ge5Pb4O15 to be GePbO3" +mp-554699,GePbO3,-6.565139741,-1.9299915293,0.0,-0.0235853278,GGA,R-3,AB3C_hR90_148_f_3f_f:Ge-O-Pb,30.0,"Invalid WP multiplicities - AB3C_hR90_148_f_15f_f:Ge-O-Pb, expected GePbO15 to be GePbO3" +mp-1017566,GePbO3,-6.347383798,-1.7122355863,0.217755943,0.1941706152,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Pb,5.0,AB3C_cP5_221_b_c_a:Ge-O-Pb +mp-559373,Ge4PbO9,-6.7891303971,-2.0230620478,0.0061351844,0.0061351844,GGA,C2,A4B9C_mC28_5_abc_a4c_a:Ge-O-Pb,14.0,"Invalid WP multiplicities - A4B9C_mC28_5_ab2c_a7c_a:Ge-O-Pb, expected Ge6PbO15 to be Ge4PbO9" +mp-541156,Ge4PbO9,-6.7892008412,-2.0231324918,0.0060647404,0.0060647404,GGA,P321,A4B9C_hP42_150_adfg_f4g_e:Ge-O-Pb,42.0,A4B9C_hP42_150_adfg_f4g_e:Ge-O-Pb +mp-1212615,Ge3Pb5O12,-6.306305966,-1.7166767935,0.0817029269,0.0817029269,GGA,P6_3/m,A3B12C5_hP40_176_h_2hi_fh:Ge-O-Pb,40.0,A3B12C5_hP40_176_h_2hi_fh:Ge-O-Pb +mp-557340,Ge3Pb5O11,-6.4138464589,-1.8430098938,0.0,-0.0096762118,GGA,P3,A3B11C5_hP57_143_3d_11d_3a3b3d:Ge-O-Pb,57.0,"Invalid WP multiplicities - A3B11C5_hP57_143_7d_31d_3a3b8d:Ge-O-Pb, expected Ge7Pb10O31 to be Ge3Pb5O11" +mp-557667,Ge3Pb5O11,-6.4117284549,-1.8408918897,0.002118004,-0.0075582078,GGA,P-6,A3B11C5_hP57_174_jl_2jk4l_bdghjl:Ge-O-Pb,57.0,"Invalid WP multiplicities - A3B11C5_hP57_174_2j2l_6j3k19l_bd2gh2j3l:Ge-O-Pb, expected Ge18Pb32O141 to be Ge3Pb5O11" +mp-29217,Ge3PbO7,-6.7621408795,-2.0159089147,0.0,-0.0052285488,GGA,Pbca,A3B7C_oP88_61_3c_7c_c:Ge-O-Pb,88.0,A3B7C_oP88_61_3c_7c_c:Ge-O-Pb +mp-680143,Ge3Pb11O17,-6.1633581088,-1.6858771595,0.0126305672,0.0126305672,GGA,P-1,A3B17C11_aP186_2_9i_51i_33i:Ge-O-Pb,186.0,"Invalid WP multiplicities - A3B17C11_aP186_2_18i_102i_64i:Ge-O-Pb, expected Ge9Pb32O51 to be Ge3Pb11O17" +mp-583345,GePb5O7,-6.0899193031,-1.6427589812,0.0088164177,0.0088164177,GGA,Pbca,AB7C5_oP104_61_c_7c_5c:Ge-O-Pb,104.0,"Invalid WP multiplicities - AB7C5_oP104_61_c_53c_37c:Ge-O-Pb, expected GePb37O53 to be GePb5O7" +mp-769171,SiGeO3,-7.4558418499,-2.4781594461,0.1060361263,0.1060361263,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Ge-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_5c_21c_5c:Ge-O-Si, expected Si5Ge5O21 to be SiGeO3" +mp-1219641,Si3Ge(PbO2)8,-6.6182519943,-1.9844242127,0.1780968035,0.1780968035,GGA,P1,AB16C8D3_aP28_1_a_16a_8a_3a:Ge-O-Pb-Si,28.0,AB16C8D3_aP28_1_a_16a_8a_3a:Ge-O-Pb-Si +mp-1201507,Ge3Pb3O10,-6.17581579,-1.521196297,0.3202987769,0.3202987769,GGA,R-3,A3B10C3_hR96_148_f_c3f_f:Ge-O-Pb,32.0,A3B10C3_hR96_148_f_c3f_f:Ge-O-Pb +mp-559144,GePb3O5,-6.2253152539,-1.7259360737,0.006467223,0.006467223,GGA,P2_1,AB5C3_mP18_4_a_5a_3a:Ge-O-Pb,18.0,"Invalid WP multiplicities - AB5C3_mP18_4_a_9a_4a:Ge-O-Pb, expected GePb4O9 to be GePb3O5" +mp-562283,GePb3O5,-6.1350934256,-1.6357142454,0.0966890513,0.0966890513,GGA,Cmm2,AB5C3_oC18_35_b_ade_ac:Ge-O-Pb,9.0,"Invalid WP multiplicities - AB5C3_oC18_35_b_a2de_ac:Ge-O-Pb, expected GePb3O7 to be GePb3O5" +mp-732286,SrCl2O,-4.107127005,-1.5238131339,0.7481602221,0.7481602221,GGA,Pnma,A2BC_oP16_62_2c_c_c:Cl-O-Sr,16.0,A2BC_oP16_62_2c_c_c:Cl-O-Sr +mp-542214,Si6Cl10O7,-6.14629723,-2.4217713274,0.0169103842,0.0169103842,GGA,P2_1/m,A10B7C6_mP46_11_2e4f_e3f_2e2f:Cl-O-Si,46.0,A10B7C6_mP46_11_2e4f_e3f_2e2f:Cl-O-Si +mp-28959,Si2Cl2O3,-6.8951042225,-2.6968505777000003,0.0261798348,0.0261798348,GGA,R-3,A2B3C2_hR84_148_cf_2f_cf:Cl-O-Si,28.0,"Invalid WP multiplicities - A2B3C2_hR84_148_c2f_3f_2c3f:Cl-O-Si, expected Si11Cl7O9 to be Si2Cl2O3" +mp-557304,Sr2SiCl2O3,-6.6524770272,-3.2347964784,0.0022898028,0.0022898028,GGA,I4/m,A2B3CD2_tI64_87_deh_hi_h_i:Cl-O-Si-Sr,32.0,"Invalid WP multiplicities - A2B3CD2_tI64_87_2d2e4h_3h3i_h_i:Cl-O-Si-Sr, expected Sr2Si(Cl2O3)3 to be Sr2SiCl2O3" +mp-1091380,Sr(ClO)2,-4.514344036,-1.4583551968,0.4400408993,0.4400408993,GGA,C2/c,A2B2C_mC20_15_f_f_e:Cl-O-Sr,10.0,A2B2C_mC20_15_f_f_e:Cl-O-Sr +mp-726394,Sr(ClO)2,-4.503445311,-1.4474564718,0.4509396243,0.4509396243,GGA,C2/c,A2B2C_mC20_15_f_f_e:Cl-O-Sr,10.0,A2B2C_mC20_15_f_f_e:Cl-O-Sr +mp-1209094,Sr(ClO)2,-4.457969643,-1.4019808038,0.4964152923,0.4964152923,GGA,Cmme,A2B2C_oC20_67_m_m_e:Cl-O-Sr,10.0,A2B2C_oC20_67_m_m_e:Cl-O-Sr +mp-23321,Sr4Cl6O,-5.0406439718,-2.9682910187,0.0,-0.0403934655,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Cl-O-Sr,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_3c_b_bc:Cl-O-Sr, expected Sr4Cl9O to be Sr4Cl6O" +mp-555474,Sr(ClO2)2,-4.8500709643,-1.2538821617,0.2175684948,0.2175684948,GGA,Ccce,A2B4C_oC28_68_e_i_a:Cl-O-Sr,14.0,A2B4C_oC28_68_e_i_a:Cl-O-Sr +mp-1179361,Sr(ClO3)2,-4.1332779733,-0.2369780799,0.9972806656,0.7831556590000001,GGA,C2,A2B6C_mC18_5_c_ab2c_a:Cl-O-Sr,9.0,A2B6C_mC18_5_c_ab2c_a:Cl-O-Sr +mp-1179368,Sr(ClO3)2,-4.2117485644,-0.315448671,0.9188100744,0.7046850679000001,GGA,C2,A2B6C_mC18_5_c_ab2c_a:Cl-O-Sr,9.0,A2B6C_mC18_5_c_ab2c_a:Cl-O-Sr +mp-28477,Sr(ClO3)2,-5.1305586389,-1.2342587455,0.0,-0.2141250065,GGA,Fdd2,A2B6C_oF72_43_b_3b_a:Cl-O-Sr,18.0,"Invalid WP multiplicities - A2B6C_oF72_43_b_4b_a:Cl-O-Sr, expected Sr(ClO4)2 to be Sr(ClO3)2" +mp-30224,Si3(Cl4O)2,-5.2372214771,-2.0866349546,0.0075473694,0.0075473694,GGA,Pnma,A8B2C3_oP52_62_2c3d_d_cd:Cl-O-Si,52.0,"Invalid WP multiplicities - A8B2C3_oP52_62_2c5d_d_3c3d:Cl-O-Si, expected Si9(Cl6O)2 to be Si3(Cl4O)2" +mp-1206531,SrClO,-5.12931773,-2.3010781218,0.2696363699,0.2696363699,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cl-O-Sr,6.0,ABC_hP6_186_b_a_b:Cl-O-Sr +mp-23563,SiCl2O,-5.8041381217,-2.2868681064,0.0274110486,0.0274110486,GGA,P-1,A2BC_aP24_2_6i_3i_3i:Cl-O-Si,24.0,"Invalid WP multiplicities - A2BC_aP24_2_6i_3i_4i:Cl-O-Si, expected Si4(Cl2O)3 to be SiCl2O" +mp-23079,SiCl2O,-5.8160929719,-2.2988229566,0.0154561984,0.0154561984,GGA,P-1,A2BC_aP16_2_4i_2i_2i:Cl-O-Si,16.0,A2BC_aP16_2_4i_2i_2i:Cl-O-Si +mp-1211008,LiTiSe2O,-5.6372760127,-1.2886907027,0.6166635014,0.6166635014,GGA,P3m1,ABC2D_hP15_156_abc_abc_2a2b2c_abc:Li-O-Se-Ti,15.0,ABC2D_hP15_156_abc_abc_2a2b2c_abc:Li-O-Se-Ti +mp-1072633,LiTi(SeO)2,-5.2390221983,-0.7907529881,1.3166461886,1.3166461886,GGA,P-3m1,AB2C2D_hP6_164_a_d_d_b:Li-O-Se-Ti,6.0,AB2C2D_hP6_164_a_d_d_b:Li-O-Se-Ti +mp-1206595,LiTiSe2,-5.659570295,-1.4605108353,0.0,-0.0106574806,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-Se-Ti,4.0,AB2C_hP4_164_a_d_b:Li-Se-Ti +mp-8132,Li(TiSe2)3,-6.098391688,-1.4413049097,0.0,-0.001293598,GGA,P-3m1,AB6C3_hP10_164_a_3d_bc:Li-Se-Ti,10.0,AB6C3_hP10_164_a_3d_bc:Li-Se-Ti +mp-10381,K2CuSb,-2.9732110075,-0.3609595565,0.0,-0.0008364868,GGA,Cmcm,AB2C_oC16_63_a_g_c:Cu-K-Sb,8.0,AB2C_oC16_63_a_g_c:Cu-K-Sb +mp-27999,K5CuSb2,-2.6457080775,-0.4070575919,0.0,-0.0010122806,GGA,R-3m,AB5C2_hR24_166_a_b2c_c:Cu-K-Sb,8.0,AB5C2_hR24_166_a_b2c_c:Cu-K-Sb +mp-1078005,K(Cu2Sb)2,-3.87160027,-0.1908533976,0.0,-0.0077063307,GGA,R-3m,A4BC2_hR21_166_2c_a_c:Cu-K-Sb,7.0,A4BC2_hR21_166_2c_a_c:Cu-K-Sb +mp-1110906,K2CuSbBr6,-3.323433126,-1.3467155476,0.02394968,0.02394968,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Sb +mp-1110924,K3SbBr6,-3.293720917,-1.6158841109000002,0.0551491188,0.0551491188,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Sb,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Sb +mp-22604,InAsF6,-4.7658083225,-2.40584883,0.2499677778,0.2499677778,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-In,8.0,AB6C_hR24_148_a_f_b:As-F-In +mp-1113159,Cs3AsF6,-4.638181149,-2.7567612164,0.014839227,0.014839227,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:As-Cs-F,10.0,AB3C6_cF40_225_a_bc_e:As-Cs-F +mp-5707,CsAsF4,-4.9243508233,-2.7242780488,0.0,-0.0678498311,GGA,P2_1,ABC4_mP12_4_a_a_4a:As-Cs-F,12.0,ABC4_mP12_4_a_a_4a:As-Cs-F +mp-1113140,Cs2InAsF6,-4.623893059,-2.5568449906,0.1385993958,0.1385993958,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-In,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-In +mp-9820,CsAsF6,-4.8988679512,-2.7709436285,0.0,-0.2670275806,GGA,R-3,ABC6_hR24_148_a_b_f:As-Cs-F,8.0,ABC6_hR24_148_a_b_f:As-Cs-F +mp-1212418,In3AsF6,-4.393964611,-1.955660271,0.357757712,0.357757712,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:As-F-In,10.0,AB6C3_aP10_2_a_3i_bcd:As-F-In +mp-30927,CsAs4F13,-5.038434195,-2.5728173856,0.0,-0.0133737901,GGA,I-4,A4BC13_tI36_82_g_a_c3g:As-Cs-F,18.0,"Invalid WP multiplicities - A4BC13_tI36_82_g_a_c4g:As-Cs-F, expected CsAs4F17 to be CsAs4F13" +mp-1233067,Ca(SiO2)6,-8.0059082184,-3.0628675555,0.1667334854,0.1667334854,GGA,P1,AB12C6_aP19_1_a_12a_6a:Ca-O-Si,19.0,AB12C6_aP19_1_a_12a_6a:Ca-O-Si +mp-1233212,Ca(SiO2)6,-7.9837191411,-3.0406784782,0.1889225628,0.1889225628,GGA,P1,AB12C6_aP19_1_a_12a_6a:Ca-O-Si,19.0,AB12C6_aP19_1_a_12a_6a:Ca-O-Si +mp-1234432,Ca(SiO2)6,-7.9610593158,-3.0180186529,0.2115823881,0.2115823881,GGA,P-1,AB12C6_aP19_2_a_6i_3i:Ca-O-Si,19.0,"Invalid WP multiplicities - AB12C6_aP19_2_a_12i_5i:Ca-O-Si, expected Ca(Si5O12)2 to be Ca(SiO2)6" +mp-1234144,Ca(SiO2)6,-7.8624195258,-2.9193788629,0.3102221781,0.3102221781,GGA,C2,AB12C6_mC38_5_a_6c_ab2c:Ca-O-Si,19.0,AB12C6_mC38_5_a_6c_ab2c:Ca-O-Si +mp-1202590,Ca5(Si3O11)2,-6.8960846239,-2.3079919201,0.6018271448,0.6018271448,GGA,P1,A5B22C6_aP33_1_5a_22a_6a:Ca-O-Si,33.0,A5B22C6_aP33_1_5a_22a_6a:Ca-O-Si +mp-1199479,Ca5(Si3O11)2,-6.9632659612,-2.3751732573,0.5346458075,0.5346458075,GGA,Cc,A5B22C6_mC132_9_5a_22a_6a:Ca-O-Si,66.0,A5B22C6_mC132_9_5a_22a_6a:Ca-O-Si +mp-1182427,Ca9(Si3O16)2,-6.6859757064,-2.241372603,0.4130207352,0.4130207352,GGA,P-1,A9B32C6_aP47_2_a4i_16i_3i:Ca-O-Si,47.0,A9B32C6_aP47_2_a4i_16i_3i:Ca-O-Si +mp-3932,Ca3Si2O7,-7.7478390052,-3.4566509486,0.0088070207,0.0088070207,GGA,P2_1/c,A3B7C2_mP48_14_3e_7e_2e:Ca-O-Si,48.0,A3B7C2_mP48_14_3e_7e_2e:Ca-O-Si +mp-585516,Ca3Si2O7,-7.7542784429,-3.4630903864,0.002367583,0.002367583,GGA,Ima2,A3B7C2_oI96_46_ab2c_2b6c_abc:Ca-O-Si,48.0,"Invalid WP multiplicities - A3B7C2_oI96_46_2ab4c_4b19c_a2bc:Ca-O-Si, expected Ca11Si5O42 to be Ca3Si2O7" +mp-1266531,Ca3Si4(MoO7)2,-8.1701641409,-3.0109026653,0.0822885554,0.0822885554,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Mo-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Mo-O-Si, expected Ca3Si5MoO27 to be Ca3Si4(MoO7)2" +mp-1019570,Ca8Si5O18,-7.7324895131,-3.4675931907,0.0005519809,0.0005519809,GGA,Pbcn,A8B18C5_oP124_60_ac3d_9d_c2d:Ca-O-Si,124.0,A8B18C5_oP124_60_ac3d_9d_c2d:Ca-O-Si +mp-4429,CaSiO3,-7.9029866937,-3.4487898849,7.43e-06,-0.024711158,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Ca-O-Si,30.0,AB3C_aP30_2_3i_9i_3i:Ca-O-Si +mp-4428,CaSiO3,-7.8800571293,-3.4258603206,0.0229369943,-0.0017815937,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Ca-O-Si,30.0,AB3C_aP30_2_3i_9i_3i:Ca-O-Si +mp-649676,CaSiO3,-7.5526469988,-3.0984501901,0.3503471248,0.3256285368,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Ca-O-Si,60.0,"Invalid WP multiplicities - AB3C_mP60_14_10e_32e_8e:Ca-O-Si, expected Ca5(SiO4)4 to be CaSiO3" +mp-5733,CaSiO3,-7.9029941237,-3.4487973149,0.0,-0.024718588,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Ca-O-Si,60.0,"Invalid WP multiplicities - AB3C_mP60_14_3e_12e_3e:Ca-O-Si, expected CaSiO4 to be CaSiO3" +mp-3382,CaSiO3,-7.659278372,-3.2050815633,0.2437157517,0.2189971637,GGA,P4/mbm,AB3C_tP10_127_c_bg_a:Ca-O-Si,10.0,AB3C_tP10_127_c_bg_a:Ca-O-Si +mp-17552,CaSiO3,-7.8826804393,-3.4284836306,0.0203136843,-0.0044049037,GGA,C2/c,AB3C_mC60_15_cf_e4f_ef:Ca-O-Si,30.0,"Invalid WP multiplicities - AB3C_mC60_15_af_e5f_ef:Ca-O-Si, expected Ca3Si3O11 to be CaSiO3" +mp-561086,CaSiO3,-7.8827776887,-3.4285808799,0.020216435,-0.004502153,GGA,C2/c,AB3C_mC120_15_a3ef_9f_3f:Ca-O-Si,60.0,"Invalid WP multiplicities - AB3C_mC120_15_2c5e3f_33f_9f:Ca-O-Si, expected Ca13(Si3O11)6 to be CaSiO3" +mp-560885,CaSiO3,-7.6617654905,-3.2075686817,0.2412286332,0.2165100452,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Si,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c4d_a:Ca-O-Si, expected CaSiO11 to be CaSiO3" +mp-5096,CaSiO3,-7.661885077,-3.2076882683,0.2411090467,0.2163904587,GGA,Imma,AB3C_oI20_74_e_eg_a:Ca-O-Si,10.0,AB3C_oI20_74_e_eg_a:Ca-O-Si +mp-4853,CaSiO3,-7.6592837915,-3.2050869828,0.2437103322,0.2189917442,GGA,I4/mmm,AB3C_tI40_139_abc_hn_f:Ca-O-Si,20.0,AB3C_tI40_139_abc_hn_f:Ca-O-Si +mp-3387,CaSiO3,-7.661693698,-3.2074968893,0.2413004257,0.2165818377,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ca-O-Si,10.0,"Invalid WP multiplicities - AB3C_tI20_140_b_2ah_c:Ca-O-Si, expected CaSiO4 to be CaSiO3" +mp-4356,CaSiO3,-7.659303525,-3.2051067163,0.2436905987,0.2189720107,GGA,Im-3,AB3C_cI40_204_ab_g_c:Ca-O-Si,20.0,AB3C_cI40_204_ab_g_c:Ca-O-Si +mp-1181886,CaSiO3,-7.6592618475,-3.2050650387,0.2437322762,0.2190136882,GGA,Im-3,AB3C_cI40_204_ab_g_c:Ca-O-Si,20.0,"Invalid WP multiplicities - AB3C_cI40_204_a2b_g_c:Ca-O-Si, expected Ca7(SiO3)4 to be CaSiO3" +mp-5893,CaSiO3,-7.658790582,-3.2045937733,0.2442035417,0.2194849537,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Si,5.0,AB3C_cP5_221_a_c_b:Ca-O-Si +mp-1214452,Ca(Si9O19)2,-8.048367098,-3.0021303357,0.2244244559,0.2244244559,GGA,P6_3/mmc,AB38C18_hP114_194_b_f2hi2kl_jl:Ca-O-Si,114.0,AB38C18_hP114_194_b_f2hi2kl_jl:Ca-O-Si +mp-1233759,Ca(SiO2)5,-7.8319593094,-2.919516988,0.3028782315,0.3028782315,GGA,P-4m2,AB10C5_tP16_115_b_gij_aj:Ca-O-Si,16.0,AB10C5_tP16_115_b_gij_aj:Ca-O-Si +mp-29755,CaSi2O5,-7.9865303538,-3.2878204167,0.0931899385,0.0931899385,GGA,P-1,AB5C2_aP32_2_2i_10i_be3i:Ca-O-Si,32.0,AB5C2_aP32_2_2i_10i_be3i:Ca-O-Si +mp-734368,Ca6Si3O13,-7.4379129345,-3.2280717247,0.0912249649,0.0912249649,GGA,P-1,A6B13C3_aP44_2_6i_13i_3i:Ca-O-Si,44.0,A6B13C3_aP44_2_6i_13i_3i:Ca-O-Si +mp-11649,Ca3SiO,-4.87612438,-1.5983631038,0.000579019,-0.0150326975,GGA,Pnma,A3BC_oP20_62_cd_a_c:Ca-O-Si,20.0,A3BC_oP20_62_cd_a_c:Ca-O-Si +mp-1183521,Ca3SiO,-4.875004584,-1.5972433077,0.001698815,-0.0139129015,GGA,Pnma,A3BC_oP20_62_cd_a_c:Ca-O-Si,20.0,"Invalid WP multiplicities - A3BC_oP20_62_c2d_a_c:Ca-O-Si, expected Ca5SiO to be Ca3SiO" +mp-1205330,Ca3SiO,-4.876703399,-1.5989421228,0.0,-0.0156117165,GGA,Imma,A3BC_oI20_74_eg_a_e:Ca-O-Si,10.0,A3BC_oI20_74_eg_a_e:Ca-O-Si +mp-1227183,Ca5(SiO3)6,-7.7597904979,-3.2211593123,0.0900141063,0.0900141063,GGA,P1,A5B18C6_aP29_1_5a_18a_6a:Ca-O-Si,29.0,A5B18C6_aP29_1_5a_18a_6a:Ca-O-Si +mp-1202749,Ca4Si3O11,-7.5201952164,-3.1473102478,0.1209943192,0.1209943192,GGA,P-1,A4B11C3_aP36_2_4i_11i_3i:Ca-O-Si,36.0,A4B11C3_aP36_2_4i_11i_3i:Ca-O-Si +mp-1170750,Ca3Si3(MoO6)2,-8.2341810147,-3.0669650905,0.0,-0.0253263429,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Mo-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Mo-O-Si +mp-1227682,Ca2SiO5,-6.9625659062,-2.691320738,0.3513678942,0.3513678942,GGA,P1,A2B5C_aP24_1_6a_15a_3a:Ca-O-Si,24.0,A2B5C_aP24_1_6a_15a_3a:Ca-O-Si +mp-734274,Ca2SiO5,-7.0725670313,-2.801321863,0.2413667692,0.2413667692,GGA,Pbca,A2B5C_oP64_61_2c_5c_c:Ca-O-Si,64.0,A2B5C_oP64_61_2c_5c_c:Ca-O-Si +mp-1182405,Ca2SiO5,-7.1050882113,-2.833843043,0.2088455892,0.2088455892,GGA,Pbca,A2B5C_oP64_61_2c_5c_c:Ca-O-Si,64.0,A2B5C_oP64_61_2c_5c_c:Ca-O-Si +mp-1191741,CaSiO4,-7.06504194,-2.5287631475,0.3452346149,0.3452346149,GGA,Fdd2,AB4C_oF96_43_b_2a3b_b:Ca-O-Si,24.0,AB4C_oF96_43_b_2a3b_b:Ca-O-Si +mp-1203093,Ca7(Si2O5)8,-8.0078762668,-3.2664185511,0.0501651382,0.0501651382,GGA,P-1,A7B40C16_aP63_2_a3i_20i_8i:Ca-O-Si,63.0,A7B40C16_aP63_2_a3i_20i_8i:Ca-O-Si +mp-1194249,Ca3(SiO5)2,-6.7728836637,-2.3505954762,0.4217708993,0.4217708993,GGA,Cc,A3B10C2_mC60_9_3a_10a_2a:Ca-O-Si,30.0,A3B10C2_mC60_9_3a_10a_2a:Ca-O-Si +mp-1214120,Ca6Si2O13,-6.861018305,-2.7090569438000003,0.2398701139,0.2398701139,GGA,P-3,A6B13C2_hP42_147_2g_d4g_2d:Ca-O-Si,42.0,"Invalid WP multiplicities - A6B13C2_hP42_147_2g_d7g_2d:Ca-O-Si, expected Ca3SiO11 to be Ca6Si2O13" +mp-1214355,Ca(SiO2)8,-8.0238743918,-3.0416678518,0.1971566407,0.1971566407,GGA,Pc,AB16C8_mP50_7_a_16a_8a:Ca-O-Si,50.0,AB16C8_mP50_7_a_16a_8a:Ca-O-Si +mp-1197843,Ca5(SiO5)2,-7.3206089494,-3.1826370334,0.0706125644,0.0706125644,GGA,P2_1/c,A5B10C2_mP34_14_a2e_5e_e:Ca-O-Si,34.0,A5B10C2_mP34_14_a2e_5e_e:Ca-O-Si +mp-1182622,Ca2Si3O11,-6.8566192263,-2.1878236216,0.5804307169,0.5804307169,GGA,Cm,A2B11C3_mC64_8_2b_4a9b_3b:Ca-O-Si,32.0,A2B11C3_mC64_8_2b_4a9b_3b:Ca-O-Si +mp-1204130,Ca2Si3O11,-6.7845027125,-2.1157071079,0.6525472307,0.6525472307,GGA,Cm,A2B11C3_mC64_8_2b_4a9b_3b:Ca-O-Si,32.0,A2B11C3_mC64_8_2b_4a9b_3b:Ca-O-Si +mp-1204013,Ca2Si3O11,-7.0734086491,-2.4046130445,0.3636412941,0.3636412941,GGA,Fdd2,A2B11C3_oF256_43_2b_2a10b_3b:Ca-O-Si,64.0,A2B11C3_oF256_43_2b_2a10b_3b:Ca-O-Si +mp-1205089,Ca2SiO6,-6.6895150889,-2.3432206381,0.3613914794,0.3613914794,GGA,P-1,A2B6C_aP36_2_4i_12i_2i:Ca-O-Si,36.0,A2B6C_aP36_2_4i_12i_2i:Ca-O-Si +mp-641754,Ca3SiO5,-7.4387939988,-3.4192871958,0.0201372637,0.0201372637,GGA,P-1,A3B5C_aP162_2_abeh25i_45i_9i:Ca-O-Si,162.0,"Invalid WP multiplicities - A3B5C_aP162_2_abeh50i_89i_18i:Ca-O-Si, expected Ca52Si18O89 to be Ca3SiO5" +mp-1183642,Ca3SiO5,-7.3953288252,-3.3758220223,0.0636024373,0.0636024373,GGA,Cm,A3B5C_mC54_8_3a3b_9a3b_3a:Ca-O-Si,27.0,"Invalid WP multiplicities - A3B5C_mC54_8_3a3b_9a6b_3a:Ca-O-Si, expected Ca3SiO7 to be Ca3SiO5" +mp-558273,Ca3SiO5,-7.4090728763,-3.3895660734,0.0498583862,0.0498583862,GGA,R3m,A3B5C_hR81_160_3b_6a3b_3a:Ca-O-Si,27.0,"Invalid WP multiplicities - A3B5C_hR81_160_5b_6a9b_3a:Ca-O-Si, expected Ca5SiO11 to be Ca3SiO5" +mp-27917,Ca3SiO5,-7.3972700393,-3.3777632363,0.0616612232,0.0616612232,GGA,R3m,A3B5C_hR81_160_3b_6a3b_3a:Ca-O-Si,27.0,A3B5C_hR81_160_3b_6a3b_3a:Ca-O-Si +mp-554141,Ca3SiO5,-7.3976325663,-3.3781257634,0.0612986962,0.0612986962,GGA,R3m,A3B5C_hR81_160_3b_6a3b_3a:Ca-O-Si,27.0,"Invalid WP multiplicities - A3B5C_hR81_160_7b_6a7b_3a:Ca-O-Si, expected Ca7SiO9 to be Ca3SiO5" +mp-37657,Ca3SiO5,-7.430101415,-3.4105946121,0.0288298475,0.0288298475,GGA,P6_3mc,A3B5C_hP18_186_c_abc_b:Ca-O-Si,18.0,"Invalid WP multiplicities - A3B5C_hP18_186_c_a2b4c_b:Ca-O-Si, expected Ca3SiO15 to be Ca3SiO5" +mp-1214077,Ca5Si3O13,-7.3120866288,-2.9972815461,0.1420996296,0.1420996296,GGA,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-Si,42.0,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-Si +mp-1214017,CaSiO5,-6.697963545,-2.1030547641,0.3603718894,0.3603718894,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ca-O-Si,14.0,AB5C_mC28_15_e_e2f_e:Ca-O-Si +mp-1182561,Ca3(Si3O11)2,-6.9355934665,-2.1808883223,0.4366680817,0.4366680817,GGA,P1,A3B22C6_aP31_1_3a_22a_6a:Ca-O-Si,31.0,A3B22C6_aP31_1_3a_22a_6a:Ca-O-Si +mp-1227559,Ca2SiO4,-7.5540835229,-3.3793302893,0.0980281475,0.0705178421,GGA,C2,A2B4C_mC28_5_abc_4c_c:Ca-O-Si,14.0,"Invalid WP multiplicities - A2B4C_mC28_5_abc_7c_c:Ca-O-Si, expected Ca2SiO7 to be Ca2SiO4" +mp-676278,Ca2SiO4,-7.4775537321,-3.3028004986,0.1745579382,0.1470476328,GGA,Cc,A2B4C_mC28_9_2a_4a_a:Ca-O-Si,14.0,"Invalid WP multiplicities - A2B4C_mC28_9_3a_8a_a:Ca-O-Si, expected Ca3SiO8 to be Ca2SiO4" +mp-4180,Ca2SiO4,-7.6169533507,-3.4422001171,0.0351583196,0.0076480142,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-O-Si,28.0,A2B4C_mP28_14_2e_4e_e:Ca-O-Si +mp-758006,Ca2SiO4,-7.5940008932,-3.4192476596,0.0581107771,0.0306004717,GGA,P2_1/c,A2B4C_mP28_14_abe_4e_e:Ca-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2a2d2e_14e_e:Ca-O-Si, expected Ca4SiO14 to be Ca2SiO4" +mp-674334,Ca2SiO4,-7.5309767361,-3.3562235025,0.1211349343,0.0936246289,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_6e_13e_e:Ca-O-Si, expected Ca6SiO13 to be Ca2SiO4" +mp-556942,Ca2SiO4,-7.6366784023,-3.4619251687,0.015433268,-0.0120770374,GGA,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Ca-O-Si,56.0,"Invalid WP multiplicities - A2B4C_mP56_14_15e_30e_5e:Ca-O-Si, expected Ca3SiO6 to be Ca2SiO4" +mp-2379939,Ca2SiO4,-7.6438714982,-3.4691182646,0.0082401721,-0.0192701333,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_6e_13e_e:Ca-O-Si, expected Ca6SiO13 to be Ca2SiO4" +mp-675299,Ca2SiO4,-7.5469056371,-3.3721524036,0.1052060332,0.0776957278,GGA,C2/c,A2B4C_mC56_15_cef_4f_f:Ca-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mC56_15_2c2e3f_7f_f:Ca-O-Si, expected Ca5SiO7 to be Ca2SiO4" +mp-560821,Ca2SiO4,-7.6146662595,-3.439913026,0.0374454108,0.0099351054,GGA,Pna2_1,A2B4C_oP84_33_6a_12a_3a:Ca-O-Si,84.0,"Invalid WP multiplicities - A2B4C_oP84_33_20a_46a_11a:Ca-O-Si, expected Ca20Si11O46 to be Ca2SiO4" +mp-4481,Ca2SiO4,-7.6521116704,-3.4773584368,0.0,-0.0275103054,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ca-O-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Ca-O-Si +mp-2719342,Ca2SiO4,-7.6091762518,-3.4344230182,0.0429354186,0.0154251132,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ca-O-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_6c6d_c:Ca-O-Si, expected Ca4SiO18 to be Ca2SiO4" +mp-8682,Ca2SiO4,-7.4632982586,-3.288545025,0.1888134118,0.1613031064,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ca-O-Si,7.0,A2B4C_tI14_139_e_ce_a:Ca-O-Si +mp-1019562,Ca2SiO4,-7.5120193886,-3.337266155,0.1400922818,0.1125819764,GGA,P-3m1,A2B4C_hP14_164_abd_di_d:Ca-O-Si,14.0,A2B4C_hP14_164_abd_di_d:Ca-O-Si +mp-1019563,Ca2SiO4,-7.4195110921,-3.2447578586,0.2326005782,0.2050902728,GGA,P6_3mc,A2B4C_hP14_186_ab_bc_b:Ca-O-Si,14.0,A2B4C_hP14_186_ab_bc_b:Ca-O-Si +mp-727205,Ca6Si6O19,-7.7270940594,-3.257010415,0.0805353736,0.0805353736,GGA,P-1,A6B19C6_aP31_2_ac2i_d9i_3i:Ca-O-Si,31.0,A6B19C6_aP31_2_ac2i_d9i_3i:Ca-O-Si +mp-1202163,Ca6Si6O19,-7.7263622365,-3.2562785921,0.0812671965,0.0812671965,GGA,P-1,A6B19C6_aP31_2_3i_a9i_3i:Ca-O-Si,31.0,A6B19C6_aP31_2_3i_a9i_3i:Ca-O-Si +mp-727278,Ca6Si6O19,-7.7274410556,-3.2573574113,0.0801883773,0.0801883773,GGA,P2/c,A6B19C6_mP62_13_2e2g_f9g_3g:Ca-O-Si,62.0,A6B19C6_mP62_13_2e2g_f9g_3g:Ca-O-Si +mp-1196268,Ca6Si6O19,-7.7273406506,-3.2572570063,0.0802887823,0.0802887823,GGA,C2/c,A6B19C6_mC124_15_3f_e9f_3f:Ca-O-Si,62.0,A6B19C6_mC124_15_3f_e9f_3f:Ca-O-Si +mp-1204238,Ca6Si6O19,-7.4813007621,-3.0112171178,0.3263286708,0.3263286708,GGA,C2/c,A6B19C6_mC124_15_3f_e9f_3f:Ca-O-Si,62.0,A6B19C6_mC124_15_3f_e9f_3f:Ca-O-Si +mp-1018634,Lu(CuS)2,-5.140083348,-0.9416306292,0.354393786,0.354393786,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cu-Lu-S,5.0,A2BC2_hP5_164_d_a_d:Cu-Lu-S +mp-1105845,LuCuS2,-5.8313596631,-1.6080954322,0.0119350869,-0.0151824319,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Cu-Lu-S,16.0,ABC2_oP16_19_a_a_2a:Cu-Lu-S +mp-12457,LuCuS2,-5.8391144875,-1.6158502566,0.0041802625,-0.0229372562,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Lu-S,16.0,ABC2_oP16_62_c_c_2c:Cu-Lu-S +mp-1001780,LuCuS2,-5.84329475,-1.6200305191000002,0.0,-0.0271175187,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Lu-S,4.0,ABC2_hP4_156_a_b_ac:Cu-Lu-S +mp-1222528,Lu(CuS)3,-5.228246865,-1.0528297035,0.0037040883,0.0037040883,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Lu-S,14.0,A3BC3_hR42_148_f_c_f:Cu-Lu-S +mp-1222508,Lu(CuS)3,-5.0751200614,-0.8997028999000001,0.1568308919,0.1568308919,GGA,P-3m1,A3BC3_hP14_164_3d_c_3d:Cu-Lu-S,14.0,"Invalid WP multiplicities - A3BC3_hP14_164_6d_c_6d:Cu-Lu-S, expected Lu(CuS)6 to be Lu(CuS)3" +mp-1192751,Sr(LuS2)2,-6.3106778982,-2.4139359038,0.0,-0.0517530239,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Lu-S-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Lu-S-Sr +mp-13189,SrLuCuS3,-5.7207750542,-1.9342750135,0.0,-0.0506668574,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cu-Lu-S-Sr,12.0,ABC3D_oC24_63_c_a_cf_c:Cu-Lu-S-Sr +mp-28453,CsAuI3,-2.696688998,-0.9788123136,0.0,-0.0483259528,GGA,I4/mmm,ABC3_tI20_139_ab_d_eh:Au-Cs-I,10.0,"Invalid WP multiplicities - ABC3_tI20_139_ab_d_2e3h:Au-Cs-I, expected CsAuI8 to be CsAuI3" +mp-1093896,Cs2AuI,-2.281103175,-0.6465899015000001,0.387428625,0.387428625,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cs-I,4.0,AB2C_oI8_71_a_e_b:Au-Cs-I +mp-1113379,Cs2TlAuI6,-2.651402719,-1.0246499199,0.0509379559,0.0509379559,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Tl +mp-673691,NaNi4F10,-5.0569071313,-2.1530496854,0.1420628852,0.1420628852,GGA+U,P2,A10BC4_mP15_3_a2b2cd2e_a_abcd:F-Na-Ni,15.0,"Invalid WP multiplicities - A10BC4_mP15_3_ab2c2d4e_a_abcd:F-Na-Ni, expected NaNi4F14 to be NaNi4F10" +mp-1210420,Na3InF6,-4.7738497655,-2.955036424,0.0,-0.0580855525,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:F-In-Na,20.0,A6BC3_mP20_14_3e_a_be:F-In-Na +mp-1110569,Na3InF6,-4.655130378,-2.8363170365,0.1187193875,0.060633835,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-In-Na,10.0,A6BC3_cF40_225_e_a_bc:F-In-Na +mp-561480,NaNiF3,-5.1659703025,-2.5985505273,0.0,-0.0315351265,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Na-Ni,20.0,A3BC_oP20_62_cd_c_a:F-Na-Ni +mp-1078237,NaNiF3,-5.15297153,-2.5855517548,0.0129987725,-0.018536354,GGA+U,Cmcm,A3BC_oC20_63_cf_c_a:F-Na-Ni,10.0,A3BC_oC20_63_cf_c_a:F-Na-Ni +mp-22820,Na2InNiF7,-5.0125785591,-2.780103671,0.0,-0.0130338058,GGA+U,Pnma,A7BC2D_oP44_62_3c2d_c_ac_b:F-In-Na-Ni,44.0,A7BC2D_oP44_62_3c2d_c_ac_b:F-In-Na-Ni +mp-554649,Na3NiF6,-4.7216505035,-2.599991867,0.0,-0.1039988365,GGA+U,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-Na-Ni,20.0,A6B3C_mP20_14_3e_ae_b:F-Na-Ni +mp-1113477,Na3NiF6,-4.608880726,-2.4872220895,0.1127697775,0.008770941,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Ni,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Ni +mp-1111465,Rb2NbAuF6,-5.294353269,-2.61384037,0.299455218,0.299455218,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Nb-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Nb-Rb +mp-1110745,Rb2LiTaI6,-3.601001489,-1.1442048148,0.1498651987,0.1498651987,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Ta +mp-1200713,ZrHg4(PCl3)2,-3.6212567537,-1.184314672,0.0,-0.0504854673,GGA,Pbca,A6B4C2D_oP104_61_6c_4c_2c_c:Cl-Hg-P-Zr,104.0,A6B4C2D_oP104_61_6c_4c_2c_c:Cl-Hg-P-Zr +mp-29679,Hg2PCl2,-2.594604667,-0.6510573557,0.0291842263,0.0291842263,GGA,C2/m,A2B2C_mC20_12_gi_fi_i:Cl-Hg-P,10.0,A2B2C_mC20_12_gi_ei_i:Cl-Hg-P +mp-28875,Hg2P3Cl,-3.3935668592,-0.2775993742,0.0058346183,0.0058346183,GGA,C2/c,AB2C3_mC24_15_e_f_ef:Cl-Hg-P,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_f_e2f:Cl-Hg-P, expected Hg2P5Cl to be Hg2P3Cl" +mp-690785,Na2H6Pt,-3.5773386156,-0.3470563737,0.0,-0.0671575511,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:H-Na-Pt,9.0,A6B2C_cF36_225_e_c_a:H-Na-Pt +mp-643260,Na2H4Pd,-3.4042992771,-0.3477511947,0.0,-0.1616764157,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:H-Na-Pd,7.0,A4B2C_tI14_139_h_d_a:H-Na-Pd +mp-23954,Na2H2Pd,-3.182581588,-0.2605046906,0.0,-0.011163309,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:H-Na-Pd,5.0,A2B2C_tI10_139_e_e_a:H-Na-Pd +mp-643273,NaH2Pd3,-4.1198233933,-0.1785529244,0.0243019392,0.0243019392,GGA,Cmmm,A2BC3_oC12_65_g_a_bf:H-Na-Pd,6.0,A2BC3_oC12_65_g_a_bf:H-Na-Pd +mp-1221166,Na4H8PdPt,-3.52487464,-0.4046657354,0.0,-0.0508551807,GGA,C2/m,A8B4CD_mC28_12_2j_2i_a_d:H-Na-Pd-Pt,14.0,"Invalid WP multiplicities - A8B4CD_mC28_12_5j_3i_a_d:H-Na-Pd-Pt, expected Na6H20PdPt to be Na4H8PdPt" +mp-1221165,Na4H4PdPt,-3.361119259,-0.3499172106,0.0,-0.0347960269,GGA,P4/mmm,A4B4CD_tP10_123_gh_gh_a_d:H-Na-Pd-Pt,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_2gh_2gh_c_b:H-Na-Pd-Pt, expected Na6H6PdPt to be Na4H4PdPt" +mp-1009220,NaH,-2.47478389,-0.1171582208,0.157427195,-0.1171582208,GGA,Pm-3m,AB_cP2_221_a_b:H-Na,2.0,AB_cP2_221_a_b:H-Na +mp-23870,NaH,-2.632211085,-0.2745854158,0.0,-0.2745854158,GGA,Fm-3m,AB_cF8_225_a_b:H-Na,2.0,AB_cF8_225_a_b:H-Na +mp-697096,Na2H4Pt,-3.5437396414,-0.3598699147,0.0,-0.0248533656,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:H-Na-Pt,7.0,A4B2C_tI14_139_h_d_a:H-Na-Pt +mp-1187683,U3Hg,-8.0960088625,0.4484687362,0.4484687362,0.4484687362,GGA,I4/mmm,AB3_tI8_139_a_bd:Hg-U,4.0,AB3_tI8_139_a_bd:Hg-U +mp-571275,Cs2UHg2Se5,-4.215032036,-1.0981187488,0.0,-0.055921451,GGA,P2/c,A2B2C5D_mP20_13_g_g_e2g_f:Cs-Hg-Se-U,20.0,"Invalid WP multiplicities - A2B2C5D_mP20_13_g_g_2e6g_f:Cs-Hg-Se-U, expected Cs2U(HgSe7)2 to be Cs2UHg2Se5" +mp-1079421,UHg3,-2.873630985,0.1769817912,0.1769817912,0.1769817912,GGA,Cmcm,A3B_oC16_63_cg_c:Hg-U,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c3g_c:Hg-U, expected UHg8 to be UHg3" +mp-1216624,UHg3,-2.891326045,0.1592867312,0.1592867312,0.1592867312,GGA,P-6m2,A3B_hP4_187_ah_b:Hg-U,4.0,A3B_hP4_187_ah_b:Hg-U +mp-1754,UHg2,-3.8581099633,0.10814695,0.10814695,0.10814695,GGA,P6/mmm,A2B_hP3_191_c_b:Hg-U,3.0,A2B_hP3_191_c_b:Hg-U +mp-1209000,Sc2CuB2Ir5,-8.1259880885,-0.6944781563,0.0,-0.0492336043,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Cu-Ir-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Cu-Ir-Sc +mp-28896,CuBIr,-6.72697106,-0.1879601864,0.0,-0.0412703899,GGA,Fdd2,ABC_oF48_43_b_b_b:B-Cu-Ir,12.0,ABC_oF48_43_b_b_b:B-Cu-Ir +mp-10113,ScBIr3,-8.564768664,-0.6593359808,0.0,-0.0300840745,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Ir-Sc,5.0,AB3C_cP5_221_b_c_a:B-Ir-Sc +mp-1209011,Sc3B2Ir5,-8.541198748,-0.8863625723,0.0,-0.0870325212,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Ir-Sc,20.0,A2B5C3_tP20_127_g_cj_ag:B-Ir-Sc +mp-1209019,Sc2B6Ir,-7.5756902669,-0.7334988208000001,0.0,-0.0905774268,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Ir-Sc,36.0,A6BC2_oP36_55_6h_g_2g:B-Ir-Sc +mp-867794,Sc2CuIr,-7.1039437025,-0.7032989375,0.0,-0.0336683275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Sc,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Sc +mp-1225826,Cu2B3Ir4,-7.2611781033,-0.1955863953,0.0,-0.0257227111,GGA,Amm2,A3B2C4_oC18_38_2ab_ab_2a2b:B-Cu-Ir,9.0,A3B2C4_oC18_38_2ab_ab_2a2b:B-Cu-Ir +mp-1077776,ScB2Ir3,-8.3213279317,-0.6202354006,0.0063373897,0.0063373897,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Sc,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Sc +mp-10114,ScB4Ir3,-8.0312861431,-0.5856188021000001,0.0,-0.0788806525,GGA,P6_3/m,A4B3C_hP16_176_bh_h_c:B-Ir-Sc,16.0,"Invalid WP multiplicities - A4B3C_hP16_176_2b3h_h_c:B-Ir-Sc, expected ScB11Ir3 to be ScB4Ir3" +mp-17916,Y3CuGeSe7,-5.9232664758,-1.5405141251,0.0142516653,0.0142516653,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-Se-Y,24.0,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-Se-Y +mp-1334645,Y7Cu3(GeSe7)3,-5.4974357462,-1.2372550874,0.1249165869,0.1249165869,GGA,P1,A3B3C21D7_aP68_1_6a_6a_42a_14a:Cu-Ge-Se-Y,68.0,A3B3C21D7_aP68_1_6a_6a_42a_14a:Cu-Ge-Se-Y +mp-4520,Y(CuGe)2,-5.287318444,-0.5051304113,0.0,-0.0373997884,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Y,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Y +mp-1216202,Y(CuSe)3,-5.1148756643,-0.936043442,0.0147711927,0.0147711927,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Se-Y,14.0,A3B3C_hR42_148_f_f_c:Cu-Se-Y +mp-1079213,Y2CuGe6,-5.3891247700000005,-0.4146452115,0.0469243847,0.0469243847,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Y,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Y +mp-1338706,Y8Cu3(GeSe7)3,-5.7171518474,-1.3939343185,0.0672857584,0.0672857584,GGA,P2_1,A3B3C21D8_mP70_4_3a_3a_21a_8a:Cu-Ge-Se-Y,70.0,"Invalid WP multiplicities - A3B3C21D8_mP70_4_6a_6a_40a_16a:Cu-Ge-Se-Y, expected Y8Cu3Ge3Se20 to be Y8Cu3(GeSe7)3" +mp-1215959,YCuGe,-5.4329114017,-0.3700095222,0.2819788417,0.2680540697,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ge-Y,6.0,ABC_hP6_164_d_d_c:Cu-Ge-Y +mp-1215905,YCuGe,-5.7148902433,-0.6519883639,0.0,-0.0139247719,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Y,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Y +mp-675902,YCuSe2,-5.8422769025,-1.4529017178,0.0097921016,0.0097921016,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Se-Y,4.0,AB2C_hP4_156_a_ab_c:Cu-Se-Y +mp-1103265,Y3(CuGe)4,-5.5717356564,-0.63643098,0.0,-0.0511962309,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Y,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Y +mp-755253,LiZrO2,-8.03918653,-2.9516863002,0.0556805984,0.0556805984,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Zr,8.0,AB2C_tI16_141_a_e_b:Li-O-Zr +mp-937761,Li7ZrO6,-6.0446272593,-2.3596063333,0.0743785464,0.0743785464,GGA,R3,A7B6C_hR42_146_a2b_2b_a:Li-O-Zr,14.0,"Invalid WP multiplicities - A7B6C_hR42_146_a4b_4b_a:Li-O-Zr, expected Li13ZrO12 to be Li7ZrO6" +mp-1235343,LiEr4Zr4O14,-8.9910018126,-3.6160347437,0.1845725449,0.1845725449,GGA,Pm,A4BC14D4_mP23_6_2a2b_a_6a8b_2a2b:Er-Li-O-Zr,23.0,A4BC14D4_mP23_6_2a2b_a_6a8b_2a2b:Er-Li-O-Zr +mp-1235512,LiEr4Zr4O14,-9.0056176348,-3.6306505659,0.1699567228,0.1699567228,GGA,Pm,A4BC14D4_mP23_6_abc_a_3a3b4c_abc:Er-Li-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_mP23_6_ab2c_a_3a3b6c_abc:Er-Li-O-Zr, expected LiEr6Zr4O18 to be LiEr4Zr4O14" +mp-1232979,LiEr4Zr4O14,-8.7195446065,-3.3445775376,0.456029751,0.456029751,GGA,P2/m,A4BC14D4_mP23_10_adn_b_3m4n_cgn:Er-Li-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_mP23_10_ag2n_b_6m7n_cdn:Er-Li-O-Zr, expected LiEr6Zr4O26 to be LiEr4Zr4O14" +mp-1235758,LiEr4Zr4O14,-9.0057356396,-3.6307685707,0.169838718,0.169838718,GGA,Pmm2,A4BC14D4_oP23_25_acf_a_3b3d4e_acf:Er-Li-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_oP23_25_ac2f_a_3b3d6e_acf:Er-Li-O-Zr, expected LiEr6Zr4O18 to be LiEr4Zr4O14" +mp-1236203,LiEr4Zr4O14,-8.9938866848,-3.6189196159,0.1816876728,0.1816876728,GGA,Pmm2,A4BC14D4_oP23_25_acf_a_3b3d4e_acf:Er-Li-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_oP23_25_ac2f_a_3b3d6e_acf:Er-Li-O-Zr, expected LiEr6Zr4O18 to be LiEr4Zr4O14" +mp-772105,Li2Zr2O5,-8.2957458494,-3.2238913439,0.0748320517,0.0748320517,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Li-O-Zr,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_5e_17e_7e:Li-O-Zr, expected Li5Zr7O17 to be Li2Zr2O5" +mp-756406,Li2Zr2O5,-8.2880164233,-3.2161619178,0.0825614778,0.0825614778,GGA,C2/c,A2B5C2_mC36_15_f_acef_f:Li-O-Zr,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_2a2c2e2f_f:Li-O-Zr, expected LiZrO5 to be Li2Zr2O5" +mp-1097053,Li2Zr2O5,-8.2077130664,-3.1358585609,0.1628648347,0.1628648347,GGA,Pnna,A2B5C2_oP36_52_e_2cde_e:Li-O-Zr,36.0,A2B5C2_oP36_52_e_2cde_e:Li-O-Zr +mp-1185310,LiErO3,-6.500061526,-2.2367199639,0.4604197172,0.4604197172,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Er-Li-O,5.0,ABC3_cP5_221_a_b_c:Er-Li-O +mp-675556,Er2Zr8O19,-9.68405621,-3.7701207557,0.0945115223,0.0945115223,GGA,P-4m2,A2B19C8_tP29_115_g_abc4e4f_4g:Er-O-Zr,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:Er-O-Zr, expected Er2Zr14O35 to be Er2Zr8O19" +mp-765573,Li4Zr3O8,-8.0075190507,-3.1506988476,0.044876037,0.044876037,GGA,P2/c,A4B8C3_mP30_13_efg_4g_eg:Li-O-Zr,30.0,"Invalid WP multiplicities - A4B8C3_mP30_13_e2fg_12g_2e3g:Li-O-Zr, expected Li5Zr8O24 to be Li4Zr3O8" +mp-1222512,Li4Zr3O8,-7.985178782,-3.1283585789,0.0672163057,0.0672163057,GGA,C222,A4B8C3_oC30_21_ack_efl_bk:Li-O-Zr,15.0,"Invalid WP multiplicities - A4B8C3_oC30_21_ack_e2f2l_bk:Li-O-Zr, expected Li4Zr3O14 to be Li4Zr3O8" +mp-770720,Li4ZrO4,-6.6465439589,-2.6498609654000003,0.0821512028,0.0821512028,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Li-O-Zr,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_13e_e:Li-O-Zr, expected Li15ZrO13 to be Li4ZrO4" +mp-756344,Li4ZrO4,-6.6916898189000005,-2.6950068254,0.0370053428,0.0370053428,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Li-O-Zr,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:Li-O-Zr, expected Li6ZrO6 to be Li4ZrO4" +mp-675065,Er4Zr3O12,-9.3991279613,-3.9636415579,0.0039637076,-0.0210748058,GGA,P-1,A4B12C3_aP38_2_4i_12i_3i:Er-O-Zr,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_8i_24i_5i:Er-O-Zr, expected Er8Zr5O24 to be Er4Zr3O12" +mp-1225650,Er4Zr3O12,-9.4030916689,-3.9676052655,0.0,-0.0250385134,GGA,P-1,A4B12C3_aP19_2_2i_6i_ai:Er-O-Zr,19.0,"Invalid WP multiplicities - A4B12C3_aP19_2_4i_12i_ai:Er-O-Zr, expected Er8Zr3O24 to be Er4Zr3O12" +mp-772899,Li3ZrO3,-6.7196086675,-2.5603893298,0.0751128034,0.0751128034,GGA,P4_2/mnm,A3B3C_tP28_136_fi_gi_f:Li-O-Zr,28.0,"Invalid WP multiplicities - A3B3C_tP28_136_2f3i_3g2i_f:Li-O-Zr, expected Li8ZrO7 to be Li3ZrO3" +mp-10970,LiErO2,-7.4148123687,-3.322307594,0.0,-0.0128884188,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Er-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Er-Li-O, expected LiErO5 to be LiErO2" +mp-10971,LiErO2,-7.4115702875,-3.3190655127,0.0032420812,-0.0096463375,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Er-Li-O,8.0,ABC2_tI16_141_a_b_e:Er-Li-O +mp-755225,Li8ZrO6,-6.0299727033,-2.4633583146,0.000657791,0.000657791,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Zr,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-O-Zr, expected Li14ZrO6 to be Li8ZrO6" +mp-770648,Li8ZrO6,-5.97570447,-2.4090900813,0.0549260243,0.0549260243,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Li-O-Zr,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_2b9c_a3b3c_a:Li-O-Zr, expected Li31ZrO16 to be Li8ZrO6" +mp-770731,LiZr2O4,-8.820722333900001,-3.2791396237,0.0741268687,0.0741268687,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Li-O-Zr,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_5c4d_2a2c:Li-O-Zr, expected LiZr4O13 to be LiZr2O4" +mp-772214,LiZr2O4,-8.7965883786,-3.2550056683,0.0982608241,0.0982608241,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Li-O-Zr,14.0,AB4C2_cF56_227_a_e_d:Li-O-Zr +mp-1178353,Er2Zr2O7,-9.3971061418,-3.8645916092,0.0821310225,0.0821310225,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:Er-O-Zr,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_h_a2i3j_i:Er-O-Zr, expected Er2Zr2O17 to be Er2Zr2O7" +mp-674842,Er2Zr2O7,-9.323721715,-3.7912071824,0.1555154493,0.1555154493,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Er-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Er-O-Zr, expected Er2ZrO7 to be Er2Zr2O7" +mp-756545,Er2Zr2O7,-9.3938549182,-3.8613403856,0.0853822461,0.0853822461,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Er-O-Zr, expected ErZrO7 to be Er2Zr2O7" +mp-5418,Li6Zr2O7,-7.0777274953,-2.8660101994,0.0,-0.0176560159,GGA,C2/c,A6B7C2_mC60_15_3f_e3f_f:Li-O-Zr,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_5f_e3f_f:Li-O-Zr, expected Li10Zr2O7 to be Li6Zr2O7" +mp-4156,Li2ZrO3,-7.5751208675,-3.040852118,0.0,-0.01676596,GGA,C2/c,A2B3C_mC24_15_2e_cf_e:Li-O-Zr,12.0,"Invalid WP multiplicities - A2B3C_mC24_15_2e_2af_e:Li-O-Zr, expected Li2ZrO4 to be Li2ZrO3" +mp-5457,Pr3Co11B4,-6.8785933133,-0.2534944193,0.028043287,0.028043287,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Pr,18.0,"Invalid WP multiplicities - A4B11C3_hP18_191_h_c2gi_ae:B-Co-Pr, expected Pr3(Co7B2)2 to be Pr3Co11B4" +mp-975663,Pr(CoB)4,-7.1049677339,-0.4458850652,0.0,-0.0041860283,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Co-Pr,18.0,A4B4C_tP18_86_g_g_a:B-Co-Pr +mp-1199281,Pr2Fe6Co8B,-7.3804650963,-0.0905902198,0.0336205088,0.0336205088,GGA,P4_2/mnm,AB8C6D2_tP68_136_f_2jk_cek_fg:B-Co-Fe-Pr,68.0,AB8C6D2_tP68_136_f_2jk_cek_fg:B-Co-Fe-Pr +mp-1188734,Pr(FeB)4,-7.6785523539,-0.4142681674,0.0,-0.0573461378,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Fe-Pr,18.0,A4B4C_tP18_86_g_g_a:B-Fe-Pr +mp-4322,Pr(CoB)2,-6.94466112,-0.4733961427,0.0,-0.072099584,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Pr,5.0,A2B2C_tI10_139_e_d_a:B-Co-Pr +mp-1105066,Pr4(CoB2)3,-6.4316940992,-0.2374689431,0.193413939,0.193413939,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Pr,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Pr +mp-1104305,Pr4(FeB2)3,-6.7742600138,-0.2657956081,0.107074894,0.107074894,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Fe-Pr,13.0,A6B3C4_hR39_166_f_bc_2c:B-Fe-Pr +mp-542034,Pr5Co19B6,-6.863418239,-0.2287876555,0.0287983509,0.0287983509,GGA,P6/mmm,A6B19C5_hP30_191_ch_gh2i_a2e:B-Co-Pr,30.0,A6B19C5_hP30_191_ch_gh2i_a2e:B-Co-Pr +mp-11610,PrCo4B,-6.8422004133000005,-0.1932722957,0.0283861609,0.0283861609,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Pr,12.0,AB4C_hP12_191_c_di_ab:B-Co-Pr +mp-1219989,PrFeCo4,-6.979510925,-0.0321445675,0.0171332969,0.0171332969,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Fe-Pr,6.0,A4BC_hP6_187_ak_c_e:Co-Fe-Pr +mp-1197003,Pr2Co14B,-6.9143358824,-0.1050622111,0.0,-0.0034785453,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Pr,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Pr +mp-3867,Pr2Co7B3,-6.8922070529,-0.2790227706,0.0324545605,0.0324545605,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Pr,24.0,"Invalid WP multiplicities - A3B7C2_hP24_191_ch_d3i_abe:B-Co-Pr, expected Pr2Co10B3 to be Pr2Co7B3" +mp-1209806,Pr3Co13B2,-6.8016834406,-0.1289260994,0.0328531075,0.0328531075,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Co-Pr,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Co-Pr +mp-7735,Pr5(CoB3)2,-6.4070852162,-0.3918917554,0.0005433146,0.0005433146,GGA,R-3m,A6B2C5_hR39_166_f_c_b2c:B-Co-Pr,13.0,A6B2C5_hR39_166_f_c_b2c:B-Co-Pr +mp-1219987,PrFeCo,-6.73657396,0.04984096,0.105283975,0.105283975,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-Pr,6.0,ABC_oI12_74_a_c_e:Co-Fe-Pr +mp-683944,Pr2Fe14B,-7.7126211679,0.2180553156,0.272884926,0.272884926,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Pr,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_4c4e14j24k_3f3g:B-Fe-Pr, expected Pr6Fe132B to be Pr2Fe14B" +mp-569428,Pr2Fe14B,-7.9727045837,-0.0420281001,0.0128015103,0.0128015103,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Pr,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_4c3e16j23k_f2g:B-Fe-Pr, expected Pr3Fe131B to be Pr2Fe14B" +mp-1105562,Pr(Co2B)6,-7.1914626468,-0.3410905458,0.0,-0.0452339034,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Pr,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Pr +mp-1200180,Pr2Co5B2,-6.7561986294,-0.2604004043,0.0215453642,0.0215453642,GGA,P6_3/mmc,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Pr,36.0,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Pr +mp-1226420,Eu3(PPt)4,-7.8933574809,-0.9198348712,0.1675819868,0.1675819868,GGA,C2/m,A3B4C4_mC22_12_ai_2i_2i:Eu-P-Pt,11.0,"Invalid WP multiplicities - A3B4C4_mC22_12_ai_3i_3i:Eu-P-Pt, expected Eu(PPt)2 to be Eu3(PPt)4" +mp-1225129,EuPPt,-8.42292328,-1.1757774044,0.0060919117,-0.1668130686,GGA,P-6m2,ABC_hP3_187_b_c_e:Eu-P-Pt,3.0,ABC_hP3_187_b_c_e:Eu-P-Pt +mp-672290,EuPPt,-8.4290151917,-1.1818693161,0.0,-0.1729049803,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Eu-P-Pt,6.0,ABC_hP6_194_a_c_d:Eu-P-Pt +mp-1025272,ZnPPt5,-5.6978342486,-0.4080181462,0.0,-0.0451895821,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pt-Zn,7.0,AB5C_tP7_123_b_ai_c:P-Pt-Zn +mp-1078980,Eu2ZnP2,-7.525088011,-1.0050175663,0.0,-0.1387493053,GGA,Cmc2_1,A2B2C_oC20_36_2a_2a_a:Eu-P-Zn,10.0,A2B2C_oC20_36_2a_2a_a:Eu-P-Zn +mp-1104145,Eu2Zn2P3,-6.4570307771,-0.8465453,0.0,-0.0016557162,GGA,C2/m,A2B3C2_mC28_12_2i_3i_2i:Eu-P-Zn,14.0,A2B3C2_mC28_12_2i_3i_2i:Eu-P-Zn +mp-1069383,Eu(ZnP)2,-5.444624154,-0.7240053473,0.0,-0.0834733152,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-P-Zn,5.0,AB2C2_hP5_164_a_d_d:Eu-P-Zn +mp-1225298,Eu2P3Pt4,-7.7839027411,-1.0018533633,0.0,-0.0592378999999999,GGA,I-4m2,A2B3C4_tI18_119_e_ce_ef:Eu-P-Pt,9.0,A2B3C4_tI18_119_e_ce_ef:Eu-P-Pt +mp-1225253,Eu2ZnP3Pt7,-7.0455555023,-0.8523564277000001,0.0,-0.0469499419,GGA,I-4m2,A2B3C7D_tI26_119_e_ce_ae2f_b:Eu-P-Pt-Zn,13.0,"Invalid WP multiplicities - A2B3C7D_tI26_119_e_ce_ae3f_b:Eu-P-Pt-Zn, expected Eu2Zn(PPt3)3 to be Eu2ZnP3Pt7" +mp-1196319,Zn3(AsO5)2,-5.252109379,-1.0811523955,0.4568808252,0.4568808252,GGA,P-1,A2B10C3_aP60_2_4i_20i_6i:As-O-Zn,60.0,A2B10C3_aP60_2_4i_20i_6i:As-O-Zn +mp-16834,Zn3(AsO4)2,-5.8262673569,-1.7746537162,0.0,-0.014020181,GGA,P2_1/c,A2B8C3_mP26_14_e_4e_ae:As-O-Zn,26.0,"Invalid WP multiplicities - A2B8C3_mP26_14_e_5e_ae:As-O-Zn, expected Zn3(AsO5)2 to be Zn3(AsO4)2" +mp-15483,Zn3(AsO4)2,-5.8208424887,-1.7692288479,0.0054248683,-0.0085953127,GGA,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:As-O-Zn,52.0,A2B8C3_mP52_14_2e_8e_3e:As-O-Zn +mp-29437,Zn4As2O9,-5.6944226422,-1.7692619988,0.0076425898,0.0076425898,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:As-O-Zn,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_2e_12e_4e:As-O-Zn, expected Zn2AsO6 to be Zn4As2O9" +mp-555797,Zn4As2O9,-5.6942614053,-1.7691007618,0.0078038268,0.0078038268,GGA,P2_1/c,A2B9C4_mP120_14_4e_18e_8e:As-O-Zn,120.0,"Invalid WP multiplicities - A2B9C4_mP120_14_11e_70e_32e:As-O-Zn, expected Zn32As11O70 to be Zn4As2O9" +mp-1105646,Zn2AsO5,-5.547728425,-1.5587222773,0.1071257745,0.1071257745,GGA,P-1,AB5C2_aP16_2_i_5i_2i:As-O-Zn,16.0,AB5C2_aP16_2_i_5i_2i:As-O-Zn +mp-731664,Zn2AsO5,-5.5889874003,-1.5999812527,0.0658667991,0.0658667991,GGA,Pnnm,AB5C2_oP32_58_g_3gh_eg:As-O-Zn,32.0,AB5C2_oP32_58_g_3gh_eg:As-O-Zn +mp-1197431,Zn2AsO6,-5.155810676,-1.0603953546,0.4203584692,0.4203584692,GGA,P2_1/c,AB6C2_mP72_14_2e_12e_4e:As-O-Zn,72.0,AB6C2_mP72_14_2e_12e_4e:As-O-Zn +mp-1195850,Zn9(As3O14)2,-5.570530134,-1.4356536959,0.1739159536,0.1739159536,GGA,P-1,A6B28C9_aP43_2_3i_14i_a4i:As-O-Zn,43.0,A6B28C9_aP43_2_3i_14i_a4i:As-O-Zn +mp-1195771,Zn2As2O9,-5.5078716208,-1.1726468184,0.3071640995,0.3071640995,GGA,P2_1/c,A2B9C2_mP52_14_2e_9e_2e:As-O-Zn,52.0,A2B9C2_mP52_14_2e_9e_2e:As-O-Zn +mp-1196784,Zn3(AsO3)2,-5.6445886591,-1.7557159402,0.0109322336,-0.0250980189,GGA,P2_1/c,A2B6C3_mP44_14_2e_6e_3e:As-O-Zn,44.0,A2B6C3_mP44_14_2e_6e_3e:As-O-Zn +mp-27580,Zn3(AsO3)2,-5.6555208927,-1.7666481739000002,0.0,-0.0360302525,GGA,Pbam,A2B6C3_oP44_55_gh_gh2i_ei:As-O-Zn,44.0,A2B6C3_oP44_55_gh_gh2i_ei:As-O-Zn +mp-29509,Zn(AsO2)2,-6.0336273375,-1.6958080139,0.0056971851,0.0056971851,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:As-O-Zn,28.0,A2B4C_mP28_14_2e_4e_e:As-O-Zn +mp-1195966,ZnAsO5,-5.3629709213,-0.9840701254,0.3900400127,0.3900400127,GGA,P-1,AB5C_aP56_2_4i_20i_4i:As-O-Zn,56.0,AB5C_aP56_2_4i_20i_4i:As-O-Zn +mp-754262,Zn2As2O7,-5.9457993982,-1.7217498519,0.0271175965,0.0076823434,GGA,C2/m,A2B7C2_mC22_12_i_aij_h:As-O-Zn,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_a2i2j_h:As-O-Zn, expected Zn2As2O13 to be Zn2As2O7" +mp-781624,Zn2As2O7,-5.9598545036,-1.7358049574,0.013062491,-0.006372762,GGA,C2/c,A2B7C2_mC132_15_3f_e10f_3f:As-O-Zn,66.0,"Invalid WP multiplicities - A2B7C2_mC132_15_9f_2e39f_9f:As-O-Zn, expected Zn9As9O40 to be Zn2As2O7" +mp-779594,Zn2As2O7,-5.9729169947,-1.7488674484,0.0,-0.0194352531,GGA,Pbcm,A2B7C2_oP88_57_2de_c3d5e_2e:As-O-Zn,88.0,"Invalid WP multiplicities - A2B7C2_oP88_57_4de_2c5d10e_3e:As-O-Zn, expected Zn2As2O9 to be Zn2As2O7" +mp-981808,Sm2As2O5,-6.9242187778,-2.0921240404,0.7101549134,0.7101549134,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:As-O-Sm,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:As-O-Sm, expected Sm2As2O9 to be Sm2As2O5" +mp-1209675,Sm(AsO)2,-6.077796762,-1.2917566885,0.9349478016,0.9349478016,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Sm,20.0,A2B2C_tI40_141_h_h_c:As-O-Sm +mp-1207150,SmZn2AsO2,-4.4030881333,-0.7713266029,1.1984042176,1.1984042176,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:As-O-Sm-Zn,6.0,AB2CD2_tP6_123_a_g_b_g:As-O-Sm-Zn +mp-4794,Sm2As4O9,-7.3085478407,-2.4689582212,0.0,-0.0306719425,GGA,P-1,A4B9C2_aP30_2_4i_9i_2i:As-O-Sm,30.0,A4B9C2_aP30_2_4i_9i_2i:As-O-Sm +mp-754876,SmAsO4,-7.6454710846,-2.7847278538,0.0367622271,-0.2644074334,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-Sm,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:As-O-Sm, expected SmAsO15 to be SmAsO4" +mp-13530,SmAsO4,-7.6619524225,-2.8012091917,0.0202808892,-0.2808887714,GGA,I4_1/a,AB4C_tI24_88_a_f_b:As-O-Sm,12.0,AB4C_tI24_88_a_f_b:As-O-Sm +mp-12929,SmAsO4,-7.6822333117,-2.8214900808000003,0.0,-0.3011696605,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Sm,12.0,AB4C_tI24_141_a_h_b:As-O-Sm +mp-1208938,SmAsO2,-6.83799982,-2.0202293294,0.7631512833,0.7631512833,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:As-O-Sm,16.0,AB2C_tI32_141_c_h_d:As-O-Sm +mp-1219138,Re2Ni(MoS4)2,-7.4755953154,-0.9023576073,0.0762046914,0.0762046914,GGA,Imm2,A2BC2D8_oI26_44_c_a_d_2c2d:Mo-Ni-Re-S,13.0,A2BC2D8_oI26_44_c_a_d_2c2d:Mo-Ni-Re-S +mp-685980,NiMo3S4,-7.6900187725,-0.8321579628,0.0845145992,0.0845145992,GGA,P-1,A3BC4_aP16_2_3i_i_4i:Mo-Ni-S,16.0,"Invalid WP multiplicities - A3BC4_aP16_2_5i_i_7i:Mo-Ni-S, expected NiMo5S7 to be NiMo3S4" +mp-1216966,TiCrB4,-8.0621356433,-0.6844512150000001,0.0468831842,0.0468831842,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Cr-Ti,6.0,A4BC_hP6_191_h_a_b:B-Cr-Ti +mp-1226273,CrB2Ru,-8.3677407862,-0.2961823983,0.1067499073,0.1067499073,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Cr-Ru,8.0,A2BC_oP8_26_ab_a_b:B-Cr-Ru +mp-1217552,Ti8Cr3(B4Ru9)2,-8.9711862501,-0.5253089953,0.0014082129,0.0014082129,GGA,Cmmm,A8B3C18D8_oC148_65_4p_2gi_hj8q_eg2i2p:B-Cr-Ru-Ti,74.0,"Invalid WP multiplicities - A8B3C18D8_oC148_65_6p_2gi_hj12q_eg2i3p:B-Cr-Ru-Ti, expected Ti10Cr3(B6Ru13)2 to be Ti8Cr3(B4Ru9)2" +mp-573109,Sm2Se5O13,-6.5421319838,-1.9809478385,0.0,-0.011243618,GGA,P2_1/c,A13B5C2_mP80_14_13e_5e_2e:O-Se-Sm,80.0,"Invalid WP multiplicities - A13B5C2_mP80_14_45e_16e_6e:O-Se-Sm, expected Sm6Se16O45 to be Sm2Se5O13" +mp-550117,Sm4Se3O4,-7.6343394855,-3.1662636838,0.0,-0.0556698657,GGA,Amm2,A4B3C4_oC22_38_abc_ac_abc:O-Se-Sm,11.0,"Invalid WP multiplicities - A4B3C4_oC22_38_ab2c_ac_abc:O-Se-Sm, expected Sm4(SeO2)3 to be Sm4Se3O4" +mp-755362,Sm2Se2O,-7.061422533,-2.7862857457,0.0103877528,0.0103877528,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-Se-Sm,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_3e:O-Se-Sm, expected Sm3Se3O to be Sm2Se2O" +mp-755184,Sm2Se2O,-7.0582762435,-2.7831394562,0.0135340423,0.0135340423,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:O-Se-Sm,20.0,"Invalid WP multiplicities - AB2C2_oP20_62_c_5c_5c:O-Se-Sm, expected Sm5Se5O to be Sm2Se2O" +mp-768866,Sm2Cu2O5,-7.22444304,-2.5167731326,0.0484828201,0.0484828201,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Sm,36.0,"Invalid WP multiplicities - A2B5C2_oP36_33_5a_17a_5a:Cu-O-Sm, expected Sm5Cu5O17 to be Sm2Cu2O5" +mp-1076393,Sm2Cu2O5,-7.139083685,-2.4314137776,0.1338421751,0.1338421751,GGA,Ima2,A2B5C2_oI36_46_ab_b2c_c:Cu-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Cu-O-Sm +mp-754173,Sm2Cu2O5,-7.1789179711,-2.4712480637,0.094007889,0.094007889,GGA,Pbam,A2B5C2_oP18_55_g_agh_h:Cu-O-Sm,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a4g2h_h:Cu-O-Sm, expected SmCuO7 to be Sm2Cu2O5" +mp-770767,SmCuO3,-7.1444364705,-2.4128646828,0.0,-0.0137345894,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cu-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Cu-O-Sm, expected SmCuO7 to be SmCuO3" +mp-772548,SmCuO3,-7.110961194,-2.3793894062,0.0334752765,0.0197406871,GGA,R-3c,AB3C_hR30_167_b_e_a:Cu-O-Sm,10.0,AB3C_hR30_167_b_e_a:Cu-O-Sm +mp-1076706,SmCuO3,-7.020050262,-2.2884784742,0.1243862085,0.1106516191,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Sm,5.0,AB3C_cP5_221_b_c_a:Cu-O-Sm +mp-13972,Sm2SeO2,-7.986945434,-3.4216532,0.0,-0.0971524054,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Se-Sm,5.0,A2BC2_hP5_164_d_a_d:O-Se-Sm +mp-1208930,Sm2CuSe2O,-5.0360771867,-0.7902620856,1.5402991631,1.5402991631,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-O-Se-Sm,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-O-Se-Sm +mp-1208985,Sm(SeO4)2,-5.9979306573,-1.3357562227,0.3026316773,0.3026316773,GGA,P2_12_12_1,A8B2C_oP44_19_8a_2a_a:O-Se-Sm,44.0,A8B2C_oP44_19_8a_2a_a:O-Se-Sm +mp-13695,SmCuO2,-7.3351761475,-2.6573835906000003,0.0,-0.0013376123,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Sm,4.0,AB2C_hR12_166_a_c_b:Cu-O-Sm +mp-559755,Sm2(SeO3)3,-6.9220884925,-2.3188666993,0.0,-0.0690948601,GGA,P-1,A9B3C2_aP28_2_9i_3i_2i:O-Se-Sm,28.0,"Invalid WP multiplicities - A9B3C2_aP28_2_16i_6i_2i:O-Se-Sm, expected SmSe3O8 to be Sm2(SeO3)3" +mp-1200056,Sm2Se3O20,-5.4612703072,-0.7069230701,0.5916422816,0.5916422816,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Sm,50.0,A20B3C2_mC100_15_10f_ef_f:O-Se-Sm +mp-1210239,Sm2Se3O20,-5.4493455888,-0.6949983517,0.603567,0.603567,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Sm,,A20B3C2_mC100_15_10f_ef_f:O-Se-Sm +mp-9194,SmCuSeO,-6.5519405962,-2.2368423478,0.0023067978,0.0023067978,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-O-Se-Sm,8.0,ABCD_tP8_129_a_b_c_c:Cu-O-Se-Sm +mp-4210,Sm2CuO4,-7.7810699657,-3.0206222821,0.008012203,0.008012203,GGA,I4/mmm,AB4C2_tI14_139_a_cd_e:Cu-O-Sm,7.0,AB4C2_tI14_139_a_cd_e:Cu-O-Sm +mp-17874,Sm2Cu(SeO3)4,-6.5794073629,-2.0067605531,0.0,-0.0086544012,GGA,P2_1/c,AB12C4D2_mP38_14_a_6e_2e_e:Cu-O-Se-Sm,38.0,"Invalid WP multiplicities - AB12C4D2_mP38_14_a_7e_3e_e:Cu-O-Se-Sm, expected Sm2Cu(Se3O7)2 to be Sm2Cu(SeO3)4" +mp-9417,Sm(CuO2)2,-6.719752235,-2.0477873321,0.0,-0.0547608189,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Sm,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Sm +mp-1204318,NaMo3O11,-7.4785193588,-1.5936492624,0.2065659658,0.2065659658,GGA+U,Pnma,A3BC11_oP60_62_cd_c_5c3d:Mo-Na-O,60.0,A3BC11_oP60_62_cd_c_5c3d:Mo-Na-O +mp-1180234,Na(Mo2O3)2,-7.5708455159,-0.8085493340000001,0.983163225,0.983163225,GGA+U,P4/mbm,A4BC6_tP22_127_gh_a_gj:Mo-Na-O,22.0,A4BC6_tP22_127_gh_a_gj:Mo-Na-O +mp-1180386,Na(Mo2O3)2,-7.8888815036,-1.1265853217,0.6651272373,0.6651272373,GGA+U,P4/mbm,A4BC6_tP22_127_gh_a_gj:Mo-Na-O,22.0,A4BC6_tP22_127_gh_a_gj:Mo-Na-O +mp-1191832,Na(Mo2O3)2,-8.2042218105,-1.4419256286,0.3497869305,0.3497869305,GGA+U,P4/mbm,A4BC6_tP22_127_gh_a_gj:Mo-Na-O,22.0,A4BC6_tP22_127_gh_a_gj:Mo-Na-O +mp-1210288,Na3MoO4,-6.3094922944,-1.98449469,0.0157958685,0.0157958685,GGA+U,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:Mo-Na-O,16.0,AB3C4_oP16_31_a_ab_2ab:Mo-Na-O +mp-1221810,Na(Mo2O7)2,-7.4293208405,-1.4314909621,0.3951055174,0.3951055174,GGA+U,C2,A4BC14_mC38_5_2c_a_2a6c:Mo-Na-O,19.0,"Invalid WP multiplicities - A4BC14_mC38_5_4c_a_2a12c:Mo-Na-O, expected Na(Mo4O13)2 to be Na(Mo2O7)2" +mp-704384,Eu2Mo5O18,-8.4615631788,-1.9102571407,0.3225765257,0.3225765257,GGA+U,Pbcn,A2B5C18_oP100_60_d_c2d_9d:Eu-Mo-O,100.0,"Invalid WP multiplicities - A2B5C18_oP100_60_d_3c11d_62d:Eu-Mo-O, expected Eu2Mo25O124 to be Eu2Mo5O18" +mp-1191878,Eu2Mo2O7,-9.6402443564,-2.6555057383,0.0,-0.0393947116,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Eu-Mo-O,22.0,A2B2C7_cF88_227_c_d_af:Eu-Mo-O +mp-1101654,NaEuO2,-8.0047006562,-2.6364745273,0.0,-0.1061330664,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Eu-Na-O,8.0,ABC2_tI16_141_a_b_e:Eu-Na-O +mp-780415,NaEuO2,-7.98403103,-2.615804901,0.0206696263,-0.0854634402,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-Na-O,4.0,ABC2_hR12_166_a_b_c:Eu-Na-O +mp-1211013,Na2MoO2,-5.649535362,-0.9727197381,0.6628240687,0.6628240687,GGA+U,Fddd,AB2C2_oF80_70_c_h_h:Mo-Na-O,20.0,AB2C2_oF80_70_c_h_h:Mo-Na-O +mp-998627,NaMoO3,-7.429267823,-2.0276195156,0.088243832,0.088243832,GGA+U,R3c,ABC3_hR30_161_a_a_b:Mo-Na-O,10.0,ABC3_hR30_167_b_a_e:Mo-Na-O +mp-1040471,NaMoO3,-7.421171806,-2.0195234986,0.096339849,0.096339849,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Mo-Na-O,5.0,ABC3_cP5_221_b_a_c:Mo-Na-O +mp-1105347,Eu5(MoO6)2,-9.8217993795,-2.8567165503,0.0320326882,0.0320326882,GGA+U,C2/m,A5B2C12_mC38_12_a2i_h_2i2j:Eu-Mo-O,19.0,A5B2C12_mC38_12_a2i_h_2i2j:Eu-Mo-O +mp-1212798,EuMoO5,-8.7434782557,-2.1954646177,0.129971449,0.129971449,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Eu-Mo-O,28.0,ABC5_mP28_14_e_e_5e:Eu-Mo-O +mp-1213281,Eu2MoO6,-9.5261515067,-2.7439530647,0.0,-0.0560906204,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Eu-Mo-O,36.0,A2BC6_mC72_15_2ef_f_6f:Eu-Mo-O +mp-581919,Na6Mo11O36,-7.7947507998,-2.0340319965,0.0056781492,0.0056781492,GGA+U,C2/c,A11B6C36_mC212_15_e5f_ce2f_18f:Mo-Na-O,106.0,"Invalid WP multiplicities - A11B6C36_mC212_15_2e18f_2a2e7f_72f:Mo-Na-O, expected Na9Mo19O72 to be Na6Mo11O36" +mp-1095254,EuMoO4,-9.4733875792,-2.6584864533,0.0,-0.0848752844,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Eu-Mo-O,12.0,ABC4_tI24_88_a_b_f:Eu-Mo-O +mp-29984,Na4MoO5,-6.108547262,-2.021627778,0.0,-0.0807975135,GGA+U,P-1,AB4C5_aP40_2_2i_be7i_10i:Mo-Na-O,40.0,"Invalid WP multiplicities - AB4C5_aP40_2_2i_be9i_12i:Mo-Na-O, expected Na5MoO6 to be Na4MoO5" +mp-553893,Eu6Mo10O39,-8.4571539866,-1.8586199568,0.4859618894,0.4859618894,GGA+U,C2/c,A6B10C39_mC220_15_3f_5f_e19f:Eu-Mo-O,110.0,"Invalid WP multiplicities - A6B10C39_mC220_15_8f_16f_2e74f:Eu-Mo-O, expected Eu8Mo16O75 to be Eu6Mo10O39" +mp-554530,Eu4Mo4O11,-9.3861889413,-2.0796529695,0.4805558003,0.4805558003,GGA+U,Pbam,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Eu-Mo-O,76.0,"Invalid WP multiplicities - A4B4C11_oP76_55_6g7h_3g3h4i_4e8g8h20i:Eu-Mo-O, expected Eu13(Mo7O30)2 to be Eu4Mo4O11" +mp-1213541,Na(MoO2)3,-5.961365066,0.3925957231,2.363479538,2.363479538,GGA+U,Cmmm,A3BC6_oC20_65_de_a_kp:Mo-Na-O,10.0,A3BC6_oC20_65_de_a_kp:Mo-Na-O +mp-1184411,EuMoO3,-9.67815512,-2.4896115112,0.1055394804,0.1055394804,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Mo-O,5.0,ABC3_cP5_221_a_b_c:Eu-Mo-O +mp-542905,Eu2(MoO4)3,-8.9898735735,-2.3774489579,0.0,-0.0186379604,GGA+U,C2/c,A2B3C12_mC68_15_f_ef_6f:Eu-Mo-O,34.0,A2B3C12_mC68_15_f_ef_6f:Eu-Mo-O +mp-1194800,Eu2(MoO4)3,-8.4374974085,-1.8250727929,0.5523761650000001,0.5337382046,GGA+U,Pba2,A2B3C12_oP68_32_2c_3c_12c:Eu-Mo-O,68.0,A2B3C12_oP68_32_2c_3c_12c:Eu-Mo-O +mp-1221722,Na2Mo3O13,-6.9352661611,-1.4081020409,0.3085725581,0.3085725581,GGA+U,Cm,A3B2C13_mC36_8_3a_2a_13a:Mo-Na-O,,A3B2C13_mC36_8_3a_2a_13a:Mo-Na-O +mp-1237504,Na2Mo3O13,-6.8578443144,-1.3306801943,0.3859944047,0.3859944047,GGA+U,Cm,A3B2C13_mC36_8_3a_2a_13a:Mo-Na-O,18.0,A3B2C13_mC36_8_3a_2a_13a:Mo-Na-O +mp-734035,Na2MoO6,-5.9137982446,-1.1170390263,0.5597857874000001,0.5597857874000001,GGA+U,Pbca,AB2C6_oP72_61_c_2c_6c:Mo-Na-O,72.0,AB2C6_oP72_61_c_2c_6c:Mo-Na-O +mp-1199694,Na2MoO6,-6.1872358607,-1.3904766424,0.2863481712,0.2863481712,GGA+U,Pbca,AB2C6_oP72_61_c_2c_6c:Mo-Na-O,72.0,AB2C6_oP72_61_c_2c_6c:Mo-Na-O +mp-1201708,Na2MoO6,-6.0153333431,-1.2185741248,0.4582506889,0.4582506889,GGA+U,Pbca,AB2C6_oP72_61_c_2c_6c:Mo-Na-O,72.0,AB2C6_oP72_61_c_2c_6c:Mo-Na-O +mp-1210358,NaMo6O17,-8.2574963192,-1.9870740673,0.0007892956,0.0007892956,GGA+U,P2_1/m,A6BC17_mP48_11_6e_e_7e5f:Mo-Na-O,48.0,A6BC17_mP48_11_6e_e_7e5f:Mo-Na-O +mp-1221078,NaEu(MoO4)2,-8.408002605,-2.337641188,0.0008834167,-0.0145518952,GGA+U,C2,AB2CD8_mC24_5_a_ab_b_4c:Eu-Mo-Na-O,12.0,"Invalid WP multiplicities - AB2CD8_mC24_5_a_ab_b_6c:Eu-Mo-Na-O, expected NaEu(MoO6)2 to be NaEu(MoO4)2" +mp-1210114,NaEu(MoO4)2,-8.4088860217,-2.3385246047,0.0,-0.0154353119,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:Eu-Mo-Na-O,12.0,AB2CD8_tI24_82_a_bc_d_2g:Eu-Mo-Na-O +mp-19760,Na2Mo2O7,-7.4692008982,-2.108912554,0.0,-0.0264033219,GGA+U,Cmce,A2B2C7_oC88_64_ef_df_3f2g:Mo-Na-O,44.0,"Invalid WP multiplicities - A2B2C7_oC88_64_ef_df_3f3g:Mo-Na-O, expected Na2Mo2O9 to be Na2Mo2O7" +mp-1213342,Eu3MoO7,-9.8611956286,-2.9299704933,0.0,-0.0320822128,GGA+U,P2_12_12_1,A3BC7_oP44_19_3a_a_7a:Eu-Mo-O,44.0,A3BC7_oP44_19_3a_a_7a:Eu-Mo-O +mp-1212986,Eu3MoO7,-9.8567467314,-2.9255215960000003,0.0044488973,-0.0276333156,GGA+U,Cmcm,A3BC7_oC44_63_ag_b_cgh:Eu-Mo-O,22.0,A3BC7_oC44_63_ag_b_cgh:Eu-Mo-O +mp-648992,Na6Mo10O33,-7.7342270518,-2.0274437798,0.0215875066,0.0215875066,GGA+U,P-1,A10B6C33_aP49_2_5i_3i_a16i:Mo-Na-O,49.0,"Invalid WP multiplicities - A10B6C33_aP49_2_10i_4i_a32i:Mo-Na-O, expected Na8(Mo4O13)5 to be Na6Mo10O33" +mp-1173688,Na2MoO4,-6.8611961543,-2.107273934,0.0486436836,-0.039925559,GGA+U,Ama2,AB2C4_oC28_40_b_ab_2bc:Mo-Na-O,,"Invalid WP multiplicities - AB2C4_oC28_40_b_a2b_4b2c:Mo-Na-O, expected Na3MoO8 to be Na2MoO4" +mp-22730,Na2MoO4,-6.8919749879,-2.1380527676,0.01786485,-0.0707043926,GGA+U,Fddd,AB2C4_oF56_70_a_e_h:Mo-Na-O,14.0,AB2C4_oF56_70_a_e_h:Mo-Na-O +mp-18852,Na2MoO4,-6.9098398379,-2.1559176176,0.0,-0.0885692426,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Mo-Na-O,14.0,AB2C4_cF56_227_a_d_e:Mo-Na-O +mp-1213225,EuMoO2,-9.7397096544,-1.9907023212,0.4384731171,0.4384731171,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Eu-Mo-O,16.0,ABC2_tI32_141_c_d_h:Eu-Mo-O +mp-1097718,Na2Mo2O5,-7.2685386289,-1.8163392552,0.200742365,0.200742365,GGA+U,Cm,A2B2C5_mC36_8_2ab_2b_2a4b:Mo-Na-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_8_2ab_3b_2a6b:Mo-Na-O, expected Na3Mo2O7 to be Na2Mo2O5" +mp-1099875,Na2Mo2O5,-7.3378896822,-1.8856903085,0.1313913117,0.1313913117,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Mo-Na-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Mo-Na-O +mp-578610,NaMoO2,-7.4089926675,-1.893604461,0.0,-0.0071765456,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Mo-Na-O,4.0,ABC2_hR12_166_a_b_c:Mo-Na-O +mp-642535,Cs4Sb14S23,-4.5451525828,-0.7274459051000001,0.0038496488,0.0038496488,GGA,P-1,A4B23C14_aP82_2_4i_23i_14i:Cs-S-Sb,82.0,"Invalid WP multiplicities - A4B23C14_aP82_2_7i_46i_28i:Cs-S-Sb, expected Cs7(Sb14S23)2 to be Cs4Sb14S23" +mp-1226852,Cs2Sb8S13,-4.565252392,-0.7132235688,0.0,-0.0049451548,GGA,P-1,A2B13C8_aP46_2_2i_13i_8i:Cs-S-Sb,46.0,A2B13C8_aP46_2_2i_13i_8i:Cs-S-Sb +mp-561639,CsSbS2,-4.2976659575,-0.973340121,0.0,-0.0188325911,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cs-S-Sb,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_4e_e:Cs-S-Sb, expected CsSbS4 to be CsSbS2" +mp-561902,CsAg3S2,-3.4939212825,-0.5495929299,0.0,-0.0244686839,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Cs-S,12.0,A3BC2_mC24_12_3i_i_2i:Ag-Cs-S +mp-27146,Cs2Sb4S7,-4.4627513808,-0.8272160906,0.0,-0.0052313527,GGA,P2_1/c,A2B7C4_mP52_14_2e_7e_4e:Cs-S-Sb,52.0,A2B7C4_mP52_14_2e_7e_4e:Cs-S-Sb +mp-554408,CsAgSb4S7,-4.4409114304,-0.6563643224,0.0018343605,0.0018343605,GGA,C2/c,ABC7D4_mC104_15_f_ce_7f_4f:Ag-Cs-S-Sb,52.0,"Invalid WP multiplicities - ABC7D4_mC104_15_f_2a2e_22f_13f:Ag-Cs-S-Sb, expected Cs2AgSb13S22 to be CsAgSb4S7" +mp-627601,AgSbS2,-4.154062115,-0.3454478707,0.096325895,0.0878968769,GGA,Cc,AB2C_mC32_9_2a_4a_2a:Ag-S-Sb,16.0,"Invalid WP multiplicities - AB2C_mC32_9_3a_6a_4a:Ag-S-Sb, expected Ag3(Sb2S3)2 to be AgSbS2" +mp-1182950,AgSbS2,-4.168335255,-0.3597210107,0.082052755,0.0736237369,GGA,Cc,AB2C_mC32_9_2a_4a_2a:Ag-S-Sb,16.0,"Invalid WP multiplicities - AB2C_mC32_9_3a_6a_4a:Ag-S-Sb, expected Ag3(Sb2S3)2 to be AgSbS2" +mp-1205392,AgSbS2,-4.2493370831,-0.4407228389,0.0010509269,-0.0073780913,GGA,Cc,AB2C_mC32_9_2a_4a_2a:Ag-S-Sb,16.0,AB2C_mC32_9_2a_4a_2a:Ag-S-Sb +mp-3922,AgSbS2,-4.25038801,-0.4417737657,0.0,-0.0084290181,GGA,C2/c,AB2C_mC32_15_ae_2f_f:Ag-S-Sb,16.0,"Invalid WP multiplicities - AB2C_mC32_15_2c2e_2f_f:Ag-S-Sb, expected Ag2SbS2 to be AgSbS2" +mp-1229010,AgSbS2,-4.13576348,-0.3271492357,0.11462453,0.1061955119,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ag-S-Sb,4.0,AB2C_tP4_123_a_bc_d:Ag-S-Sb +mp-34371,AgSbS2,-4.18968851,-0.3810742657,0.0606994999999999,0.0522704819,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ag-S-Sb,8.0,AB2C_tI16_141_a_e_b:Ag-S-Sb +mp-1229019,AgSbS2,-4.1930403875,-0.3844261432,0.0573476225,0.0489186044,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-S-Sb,4.0,AB2C_hR12_166_a_c_b:Ag-S-Sb +mp-1226259,Cs3Ag9(SbS3)4,-3.9570205143,-0.5879985675,0.0,-0.0081660903,GGA,I-4,A9B3C12D4_tI56_82_c2g_ae_3g_g:Ag-Cs-S-Sb,28.0,"Invalid WP multiplicities - A9B3C12D4_tI56_82_c3g_ae_4g_g:Ag-Cs-S-Sb, expected Cs3Ag13(SbS4)4 to be Cs3Ag9(SbS3)4" +mp-28701,CsSbS6,-4.4777715409,-0.7473836893,0.0,-0.1152603507,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Cs-S-Sb,32.0,AB6C_mP32_14_e_6e_e:Cs-S-Sb +mp-1198931,CsAg7S4,-3.4953619325,-0.3896041106,0.0,-0.0010415787,GGA,P4/n,A7BC4_tP48_85_d3g_2c_2g:Ag-Cs-S,48.0,A7BC4_tP48_85_d3g_2c_2g:Ag-Cs-S +mp-1226651,Cs3Sb5S9,-4.4210811403,-0.8587716039000001,0.0028266115,0.0028266115,GGA,C2/m,A3B9C5_mC68_12_gj_h2i3j_ghij:Cs-S-Sb,34.0,A3B9C5_mC68_12_gj_h2i3j_ghij:Cs-S-Sb +mp-8890,Cs(SbS2)2,-4.4777053607,-0.8063904579000001,0.0,-0.0022835854,GGA,P-1,AB4C2_aP14_2_i_4i_2i:Cs-S-Sb,14.0,AB4C2_aP14_2_i_4i_2i:Cs-S-Sb +mp-1204783,Cs3SbS4,-4.0810577884,-1.1609318105,0.0,-0.0463666431,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Cs-S-Sb,32.0,A3B4C_oP32_62_cd_2cd_c:Cs-S-Sb +mp-1193894,Cs3SbS3,-3.9333744868,-1.1870090644,0.0,-0.0892611893,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Cs-S-Sb,28.0,A3B3C_cP28_198_3a_b_a:Cs-S-Sb +mp-1183018,Ag3SbS3,-3.6727957029,-0.0962215813,0.2537343421,0.2537343421,GGA,Cc,A3B3C_mC28_9_3a_3a_a:Ag-S-Sb,14.0,"Invalid WP multiplicities - A3B3C_mC28_9_4a_4a_a:Ag-S-Sb, expected Ag4SbS4 to be Ag3SbS3" +mp-555269,Ag3SbS3,-3.9258044129,-0.3492302913,0.0007256321,0.0007256321,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Ag-S-Sb,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_11e_6e_e:Ag-S-Sb, expected Ag11SbS6 to be Ag3SbS3" +mp-4515,Ag3SbS3,-3.9247685536,-0.3481944321,0.0017614914,0.0017614914,GGA,R3c,A3B3C_hR42_161_b_b_a:Ag-S-Sb,14.0,A3B3C_hR42_161_b_b_a:Ag-S-Sb +mp-1104271,Ag3SbS3,-3.8972742829,-0.3207001613,0.0292557621,0.0292557621,GGA,R3c,A3B3C_hR42_161_b_b_a:Ag-S-Sb,14.0,A3B3C_hR42_161_b_b_a:Ag-S-Sb +mp-1198053,Cs3Ag2Sb3S8,-4.1748509387,-0.8104808276000001,0.0,-1.94264e-05,GGA,P2_1/m,A2B3C8D3_mP32_11_f_3e_4e2f_3e:Ag-Cs-S-Sb,32.0,A2B3C8D3_mP32_11_f_3e_4e2f_3e:Ag-Cs-S-Sb +mp-510710,Cs2AgSbS4,-4.0645708562,-0.9023006744,0.0,-0.0005143225,GGA,P-1,AB2C4D_aP16_2_i_2i_4i_i:Ag-Cs-S-Sb,16.0,"Invalid WP multiplicities - AB2C4D_aP16_2_i_2i_8i_i:Ag-Cs-S-Sb, expected Cs2AgSbS8 to be Cs2AgSbS4" +mp-4004,Ag5SbS4,-3.78170182,-0.2979437476,0.015285039,0.015285039,GGA,Cmc2_1,A5B4C_oC40_36_a2b_2ab_a:Ag-S-Sb,20.0,"Invalid WP multiplicities - A5B4C_oC40_36_a5b_2a2b_a:Ag-S-Sb, expected Ag11SbS6 to be Ag5SbS4" +mp-1183132,AlSiO3,-6.957105078,-2.1549130792,1.0357918927,1.0357918927,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-Si,5.0,AB3C_cP5_221_a_c_b:Al-O-Si +mp-1103547,Al2Si2O9,-7.3530753246,-2.5175379307,0.3507820407,0.3507820407,GGA,P1,A2B9C2_aP13_1_2a_9a_2a:Al-O-Si,13.0,A2B9C2_aP13_1_2a_9a_2a:Al-O-Si +mp-1194176,Al2Si2O9,-7.0811050077,-2.2455676138,0.6227523576,0.6227523576,GGA,P1,A2B9C2_aP26_1_4a_18a_4a:Al-O-Si,26.0,A2B9C2_aP26_1_4a_18a_4a:Al-O-Si +mp-1192629,Al2Si2O9,-7.351251755,-2.5157143611,0.3526056103,0.3526056103,GGA,Cc,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si,26.0,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si +mp-1192644,Al2Si2O9,-7.3514072642,-2.5158698703,0.352450101,0.352450101,GGA,Cc,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si,26.0,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si +mp-1192646,Al2Si2O9,-7.3528241673,-2.5172867734,0.351033198,0.351033198,GGA,Cc,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si,26.0,A2B9C2_mC52_9_2a_9a_2a:Al-O-Si +mp-1201477,Al2Si2O9,-7.3521569806,-2.5166195866,0.3517003847,0.3517003847,GGA,Cc,A2B9C2_mC104_9_4a_18a_4a:Al-O-Si,52.0,A2B9C2_mC104_9_4a_18a_4a:Al-O-Si +mp-755043,Al2Si2O7,-8.1416703409,-3.3263422774,0.0199393457,0.0199393457,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:Al-O-Si,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_2e11f_f:Al-O-Si, expected AlSiO12 to be Al2Si2O7" +mp-1229207,Al(SiO3)2,-7.9333196153,-3.01372582,0.1471826335,0.1471826335,GGA,P1,AB6C2_aP36_1_4a_24a_8a:Al-O-Si,36.0,AB6C2_aP36_1_4a_24a_8a:Al-O-Si +mp-732264,Al(SiO3)2,-7.8733581178,-2.9537643225,0.207144131,0.207144131,GGA,P-1,AB6C2_aP18_2_i_6i_2i:Al-O-Si,18.0,AB6C2_aP18_2_i_6i_2i:Al-O-Si +mp-726892,Al(SiO3)2,-7.9663369614,-3.0467431661,0.1141652873,0.1141652873,GGA,C2/c,AB6C2_mC72_15_f_6f_2f:Al-O-Si,36.0,AB6C2_mC72_15_f_6f_2f:Al-O-Si +mp-1229033,Al(SiO3)2,-7.9427947411,-3.0232009458,0.1377075076,0.1377075076,GGA,C222,AB6C2_oC18_21_a_fl_k:Al-O-Si,9.0,"Invalid WP multiplicities - AB6C2_oC18_21_a_2f2l_k:Al-O-Si, expected Al(SiO6)2 to be Al(SiO3)2" +mp-1229099,Al(SiO3)2,-7.9351842817,-3.0155904864,0.1453179671,0.1453179671,GGA,P4_32_12,AB6C2_tP36_96_a_3b_b:Al-O-Si,36.0,AB6C2_tP36_96_a_3b_b:Al-O-Si +mp-726107,Al(SiO3)2,-7.9266732114,-3.0070794161,0.1538290373,0.1538290373,GGA,I4_1/acd,AB6C2_tI144_142_f_3g_g:Al-O-Si,72.0,AB6C2_tI144_142_f_3g_g:Al-O-Si +mp-1200775,Al2Si2PbO10,-7.2001446967,-2.4320565698,0.3139197842,0.3139197842,GGA,Pnma,A2B10CD2_oP60_62_d_2c4d_c_d:Al-O-Pb-Si,60.0,A2B10CD2_oP60_62_d_2c4d_c_d:Al-O-Pb-Si +mp-1228563,Al2Si2PbO8,-7.8401242835,-3.0995131696,0.006576043,-0.0234784859,GGA,P-1,A2B8CD2_aP26_2_2i_8i_i_2i:Al-O-Pb-Si,26.0,"Invalid WP multiplicities - A2B8CD2_aP26_2_4i_14i_i_4i:Al-O-Pb-Si, expected Al4Si4PbO14 to be Al2Si2PbO8" +mp-1195073,Al2Si2PbO8,-7.8467003264,-3.1060892126,0.0,-0.0300545289,GGA,P2_1/c,A2B8CD2_mP104_14_4e_16e_2e_4e:Al-O-Pb-Si,104.0,A2B8CD2_mP104_14_4e_16e_2e_4e:Al-O-Pb-Si +mp-1196145,Al2Si2PbO8,-7.8452892761,-3.1046781622,0.0014110504,-0.0286434785,GGA,P2_1/c,A2B8CD2_mP104_14_4e_16e_2e_4e:Al-O-Pb-Si,104.0,A2B8CD2_mP104_14_4e_16e_2e_4e:Al-O-Pb-Si +mp-1194510,Al2Si2PbO8,-7.845902416,-3.1052913021,0.0007979105,-0.0292566184,GGA,C2/c,A2B8CD2_mC104_15_2f_8f_f_2f:Al-O-Pb-Si,52.0,A2B8CD2_mC104_15_2f_8f_f_2f:Al-O-Pb-Si +mp-1247920,Al8(SiO6)3,-7.8244443745,-3.1595837699,0.224953357,0.224953357,GGA,Pm,A8B18C3_mP29_6_4a4b_10a8b_3a:Al-O-Si,29.0,A8B18C3_mP29_6_4a4b_10a8b_3a:Al-O-Si +mp-1228255,AlSi3O8,-8.0284991571,-3.0622458562,0.1254435061,0.1254435061,GGA,P-1,AB8C3_aP24_2_i_8i_3i:Al-O-Si,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_14i_5i:Al-O-Si, expected AlSi5O14 to be AlSi3O8" +mp-1228295,AlSi3O8,-8.0190609908,-3.05280769,0.1348816724,0.1348816724,GGA,P-1,AB8C3_aP24_2_i_8i_3i:Al-O-Si,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_14i_5i:Al-O-Si, expected AlSi5O14 to be AlSi3O8" +mp-1344662,AlSi3O8,-3.1348585192,1.8313947817,5.0190841441,5.0190841441,GGA,P-1,AB8C3_aP24_2_i_8i_3i:Al-O-Si,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_14i_5i:Al-O-Si, expected AlSi5O14 to be AlSi3O8" +mp-1228240,AlSi3O8,-8.0331712354,-3.0669179346,0.1207714278,0.1207714278,GGA,P2_1,AB8C3_mP24_4_a_8a_3a:Al-O-Si,24.0,AB8C3_mP24_4_a_8a_3a:Al-O-Si +mp-1229057,AlSi3O8,-8.0407465042,-3.0744932033,0.1131961591,0.1131961591,GGA,Pc,AB8C3_mP24_7_a_8a_3a:Al-O-Si,24.0,"Invalid WP multiplicities - AB8C3_mP24_7_a_14a_6a:Al-O-Si, expected Al(Si3O7)2 to be AlSi3O8" +mp-1183154,AlPbO3,-6.651739886,-2.1920820793,0.2562708706,0.2562708706,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Pb,5.0,AB3C_cP5_221_b_c_a:Al-O-Pb +mp-1228858,Al8SiO14,-7.8806976983,-3.3309774101,0.0783581268,0.0783581268,GGA,Pmc2_1,A8B14C_oP46_26_5a3b_8a6b_a:Al-O-Si,46.0,"Invalid WP multiplicities - A8B14C_oP46_26_9a5b_16a12b_a:Al-O-Si, expected Al14SiO28 to be Al8SiO14" +mp-1247816,Al8SiO14,-6.8129225841,-2.263202296,1.146133241,1.146133241,GGA,Pmc2_1,A8B14C_oP46_26_5a3b_8a6b_a:Al-O-Si,46.0,"Invalid WP multiplicities - A8B14C_oP46_26_10a5b_15a12b_a:Al-O-Si, expected Al15SiO27 to be Al8SiO14" +mp-772413,Al8SiO14,-7.9028990448,-3.3531787566,0.0561567803,0.0561567803,GGA,Pnma,A8B14C_oP92_62_a5cd_8c3d_c:Al-O-Si,92.0,"Invalid WP multiplicities - A8B14C_oP92_62_2a18c4d_31c11d_c:Al-O-Si, expected Al28SiO53 to be Al8SiO14" +mp-707135,Al2Si4O11,-8.2037929688,-3.2857929921,0.0328711484,0.0328711484,GGA,P-1,A2B11C4_aP17_2_i_a5i_2i:Al-O-Si,17.0,A2B11C4_aP17_2_i_a5i_2i:Al-O-Si +mp-561246,Al2Si2Pb2O9,-7.560820037,-2.8750013529,0.0141703049,0.0141703049,GGA,Pbcn,A2B9C2D2_oP60_60_ac_c4d_d_d:Al-O-Pb-Si,60.0,"Invalid WP multiplicities - A2B9C2D2_oP60_60_3a2c_4c26d_d_d:Al-O-Pb-Si, expected Al5Si2(PbO28)2 to be Al2Si2Pb2O9" +mp-731836,Al(Si2O5)2,-8.098033136,-3.1037841318,0.0999737759,0.0999737759,GGA,C2,AB10C4_mC30_5_a_5c_2c:Al-O-Si,15.0,"Invalid WP multiplicities - AB10C4_mC30_5_a_9c_3c:Al-O-Si, expected Al(SiO3)6 to be Al(Si2O5)2" +mp-1229197,Al3Si3(PbO8)2,-7.1100498544,-2.3565083919,0.2991253917,0.2991253917,GGA,Ccc2,A3B16C2D3_oC96_37_ad_8d_d_bd:Al-O-Pb-Si,48.0,"Invalid WP multiplicities - A3B16C2D3_oC96_37_2ad_27d_d_2bd:Al-O-Pb-Si, expected Al2Si2PbO27 to be Al3Si3(PbO8)2" +mp-21892,Al2PbO4,-7.3217325543,-2.894510615,0.0,-0.0133549579,GGA,Ama2,A2B4C_oC28_40_c_abc_b:Al-O-Pb,14.0,A2B4C_oC28_40_c_abc_b:Al-O-Pb +mp-640357,Al2SiO5,-7.8271176753,-3.1208785195,0.2547466787,0.2467050041,GGA,P-1,A2B5C_aP32_2_4i_10i_2i:Al-O-Si,32.0,"Invalid WP multiplicities - A2B5C_aP32_2_7i_18i_3i:Al-O-Si, expected Al7(SiO6)3 to be Al2SiO5" +mp-5065,Al2SiO5,-8.0625180837,-3.356278928,0.0193462703,0.0113045956,GGA,P-1,A2B5C_aP32_2_4i_10i_2i:Al-O-Si,32.0,A2B5C_aP32_2_4i_10i_2i:Al-O-Si +mp-1183015,Al2SiO5,-7.2342959828,-2.528056827,0.8475683712000001,0.8395266966,GGA,P-1,A2B5C_aP32_2_4i_10i_2i:Al-O-Si,32.0,"Invalid WP multiplicities - A2B5C_aP32_2_7i_18i_3i:Al-O-Si, expected Al7(SiO6)3 to be Al2SiO5" +mp-1247890,Al2SiO5,-8.0294567242,-3.3232175684,0.0524076298,0.0443659552,GGA,Pm,A2B5C_mP64_6_3a5b4c_12a12b8c_5a3b:Al-O-Si,64.0,"Invalid WP multiplicities - A2B5C_mP64_6_3a5b8c_12a12b16c_5a3b:Al-O-Si, expected Al3SiO7 to be Al2SiO5" +mp-9515,Al2SiO5,-7.9820157463,-3.2757765905,0.0998486078,0.0918069331,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Al-O-Si,16.0,A2B5C_mC32_15_f_e2f_c:Al-O-Si +mp-4753,Al2SiO5,-8.0818643541,-3.3756251983,0.0,-0.0080416747,GGA,Pnnm,A2B5C_oP32_58_eg_3gh_g:Al-O-Si,32.0,A2B5C_oP32_58_eg_3gh_g:Al-O-Si +mp-4934,Al2SiO5,-8.0744196741,-3.3681805183,0.00744468,-0.0005969947,GGA,Pnma,A2B5C_oP32_62_ac_3cd_c:Al-O-Si,32.0,A2B5C_oP32_62_ac_3cd_c:Al-O-Si +mp-9516,Al2SiO5,-7.9730840031,-3.2668448473,0.1087803509,0.1007386763,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Al-O-Si,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c3f_c:Al-O-Si, expected Al2SiO7 to be Al2SiO5" +mp-1196880,Al2SiO6,-7.5442489794,-2.8112932064,0.2424916114,0.2424916114,GGA,Pnma,A2B6C_oP36_62_d_2c2d_c:Al-O-Si,36.0,A2B6C_oP36_62_d_2c2d_c:Al-O-Si +mp-530984,Al22PbO34,-7.8114545458,-3.3500031157,0.0118792267,0.0118792267,GGA,P2_1/m,A22B34C_mP114_11_a7e7f_d9e12f_e:Al-O-Pb,114.0,"Invalid WP multiplicities - A22B34C_mP114_11_2a14e22f_2b18e40f_e:Al-O-Pb, expected Al60PbO100 to be Al22PbO34" +mp-13875,Al8(Pb3O7)3,-6.9233905263,-2.521840705,0.0,-0.0022769285,GGA,Pa-3,A8B21C9_cP152_205_cd_ac3d_bcd:Al-O-Pb,152.0,A8B21C9_cP152_205_cd_ac3d_bcd:Al-O-Pb +mp-1103571,Al2Si2O11,-6.723563212,-1.8732056424,0.6126716661,0.6126716661,GGA,Cm,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si,15.0,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si +mp-1182905,Al2Si2O11,-6.3384561873,-1.4880986177,0.9977786907,0.9977786907,GGA,Cm,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si,15.0,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si +mp-1183020,Al2Si2O11,-6.480915264,-1.6305576944,0.8553196141,0.8553196141,GGA,Cm,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si,15.0,A2B11C2_mC30_8_b_3a4b_b:Al-O-Si +mp-1200284,Al3Si3Pb2O13,-7.6164311637,-2.8904821653,0.0866360484,0.0866360484,GGA,Pnma,A3B13C2D3_oP84_62_cd_7c3d_2c_3c:Al-O-Pb-Si,84.0,A3B13C2D3_oP84_62_cd_7c3d_2c_3c:Al-O-Pb-Si +mp-1193561,Al3(SiO5)2,-7.5838491093,-2.8135657318,0.2616438131,0.2616438131,GGA,P-1,A3B10C2_aP15_2_ai_5i_i:Al-O-Si,15.0,"Invalid WP multiplicities - A3B10C2_aP15_2_ai_10i_i:Al-O-Si, expected Al3(SiO10)2 to be Al3(SiO5)2" +mp-1247851,Al10Si2O19,-7.9231600945,-3.3330478405,0.0675882542,0.0675882542,GGA,Pm,A10B19C2_mP31_6_6a4b_11a8b_2a:Al-O-Si,31.0,A10B19C2_mP31_6_6a4b_11a8b_2a:Al-O-Si +mp-1247887,Al10Si2O19,-7.9347514945,-3.3446392405,0.0559968542,0.0559968542,GGA,Pm,A10B19C2_mP31_6_6a4b_11a8b_2a:Al-O-Si,31.0,A10B19C2_mP31_6_6a4b_11a8b_2a:Al-O-Si +mp-28503,Al10Si2O19,-7.928827936,-3.338715682,0.0619204127,0.0619204127,GGA,Cmc2_1,A10B19C2_oC124_36_6a2b_11a4b_2a:Al-O-Si,62.0,A10B19C2_oC124_36_6a2b_11a4b_2a:Al-O-Si +mp-757333,Al12PbO19,-7.7623381453,-3.3046305658,0.0061329939,0.0061329939,GGA,P6_3mc,A12B19C_hP64_186_2a4b2c_2a2b5c_b:Al-O-Pb,64.0,"Invalid WP multiplicities - A12B19C_hP64_186_4a8b12c_4a4b29c_b:Al-O-Pb, expected Al48PbO95 to be Al12PbO19" +mp-1104168,NaEuAsS4,-5.9163634786,-1.2328713406,0.0003390899,0.0003390899,GGA,Ama2,ABCD4_oC28_40_b_a_b_2bc:As-Eu-Na-S,14.0,ABCD4_oC28_40_b_a_b_2bc:As-Eu-Na-S +mp-1007910,NaEuS2,-6.7182677525,-1.7551610457,0.0,-0.0122416919,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-Na-S,4.0,ABC2_hR12_166_a_b_c:Eu-Na-S +mp-1041407,ZnSn4O9,-6.2330821743,-1.8174943578,0.2455794229,0.2455794229,GGA,P4/n,A9B4C_tP28_85_a2g_g_c:O-Sn-Zn,28.0,A9B4C_tP28_85_a2g_g_c:O-Sn-Zn +mp-1380234,ZnSn3O7,-6.168745775,-1.8128112156,0.237919905,0.237919905,GGA,Pnma,A7B3C_oP44_62_c3d_cd_c:O-Sn-Zn,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_c3d_c2d_c:O-Sn-Zn, expected ZnSn5O7 to be ZnSn3O7" +mp-1046766,Zn(Sn2O3)2,-5.7207207605,-1.4499786425,0.3416743976,0.3416743976,GGA,Cmcm,A6B4C_oC44_63_ac2f_2f_c:O-Sn-Zn,22.0,"Invalid WP multiplicities - A6B4C_oC44_63_ac2f_6f_c:O-Sn-Zn, expected Zn(Sn2O)6 to be Zn(Sn2O3)2" +mp-1179370,SnAsO4,-6.350695435,-1.6081212508,0.2410232437,0.2410232437,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-Sn,24.0,AB4C_mP24_14_e_4e_e:As-O-Sn +mp-1047488,Sn3(AsO4)4,-6.3679068341,-1.5934629835,0.1819936887,0.1819936887,GGA,P2_1/c,A4B16C3_mP46_14_2e_8e_ae:As-O-Sn,46.0,"Invalid WP multiplicities - A4B16C3_mP46_14_5e_29e_ae:As-O-Sn, expected Sn3(As5O29)2 to be Sn3(AsO4)4" +mp-1042254,Zn(SnO2)2,-5.7691954293,-1.6169608343,0.2651489602,0.2651489602,GGA,P1,A4B2C_aP14_1_8a_4a_2a:O-Sn-Zn,14.0,"Invalid WP multiplicities - A4B2C_mC28_5_7c_3c_c:O-Sn-Zn, expected ZnSn3O7 to be Zn(SnO2)2" +mp-1041774,Zn(SnO2)2,-5.7809732464,-1.6287386514,0.253371143,0.253371143,GGA,Pc,A4B2C_mP28_7_8a_4a_2a:O-Sn-Zn,28.0,"Invalid WP multiplicities - A4B2C_mP28_7_16a_7a_2a:O-Sn-Zn, expected Zn2Sn7O16 to be Zn(SnO2)2" +mp-1357964,Zn(SnO2)2,-5.9002972276,-1.7480626326,0.1340471618,0.1340471618,GGA,Cm,A4B2C_mC84_8_12a6b_6a3b_6a:O-Sn-Zn,42.0,"Invalid WP multiplicities - A4B2C_mC84_8_12a12b_6a6b_6a:O-Sn-Zn, expected Zn(SnO2)3 to be Zn(SnO2)2" +mp-1044626,Zn(SnO2)2,-5.7878329202,-1.6355983252,0.2465114692,0.2465114692,GGA,Cm,A4B2C_mC84_8_12a6b_6a3b_6a:O-Sn-Zn,42.0,"Invalid WP multiplicities - A4B2C_mC84_8_12a11b_6a6b_6a:O-Sn-Zn, expected Zn3Sn9O17 to be Zn(SnO2)2" +mp-1047243,Zn(SnO2)2,-5.9322667786,-1.7800321836,0.1020776109,0.1020776109,GGA,Cm,A4B2C_mC112_8_16a8b_8a4b_8a:O-Sn-Zn,56.0,"Invalid WP multiplicities - A4B2C_mC112_8_16a16b_8a7b_8a:O-Sn-Zn, expected Zn4Sn11O24 to be Zn(SnO2)2" +mp-1047307,Zn(SnO2)2,-5.7590902121,-1.6068556171,0.2752541773,0.2752541773,GGA,C2/m,A4B2C_mC28_12_2ij_ace_i:O-Sn-Zn,14.0,"Invalid WP multiplicities - A4B2C_mC28_12_4i3j_ace_i:O-Sn-Zn, expected Zn(SnO5)2 to be Zn(SnO2)2" +mp-1041815,Zn(SnO2)2,-5.8852141821,-1.7329795871,0.1491302073,0.1491302073,GGA,P2/c,A4B2C_mP28_13_4g_adg_ef:O-Sn-Zn,28.0,"Invalid WP multiplicities - A4B2C_mP28_13_6g_adg_ef:O-Sn-Zn, expected Zn(SnO3)2 to be Zn(SnO2)2" +mp-1330388,Zn(SnO2)2,-5.6356975864,-1.4834629914000002,0.398646803,0.398646803,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Sn-Zn,28.0,A4B2C_oP28_62_4c_2c_c:O-Sn-Zn +mp-1047404,Zn(SnO2)2,-5.6392317321,-1.4869971371,0.3951126573,0.3951126573,GGA,Cmcm,A4B2C_oC28_63_acf_f_c:O-Sn-Zn,14.0,A4B2C_oC28_63_acf_f_c:O-Sn-Zn +mp-1041506,Zn(SnO2)2,-5.9105553579,-1.7583207629,0.1237890316,0.1237890316,GGA,Imma,A4B2C_oI28_74_hi_ae_c:O-Sn-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:O-Sn-Zn, expected Zn(SnO5)2 to be Zn(SnO2)2" +mp-1044880,Zn(SnO2)2,-5.8042940929,-1.6520594979,0.2300502966,0.2300502966,GGA,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-Sn-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c13d_2ab7d_a2b3c:O-Sn-Zn, expected Zn2Sn8O15 to be Zn(SnO2)2" +mp-1044703,Zn(SnO2)2,-5.8169136629,-1.6646790679,0.2174307266,0.2174307266,GGA,R3m,A4B2C_hR42_160_2a2b_ab_2a:O-Sn-Zn,14.0,A4B2C_hR42_160_2a2b_ab_2a:O-Sn-Zn +mp-1041676,Zn(SnO2)2,-5.7943817957,-1.6421472007,0.2399625937,0.2399625937,GGA,R-3m,A4B2C_hR42_166_ch_ad_c:O-Sn-Zn,14.0,"Invalid WP multiplicities - A4B2C_hR42_166_2ch_a2d_c:O-Sn-Zn, expected Zn2Sn7O10 to be Zn(SnO2)2" +mp-1046890,Zn(SnO2)2,-5.726565685,-1.57433109,0.3077787045,0.3077787045,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Sn-Zn,14.0,A4B2C_cF56_227_e_c_b:O-Sn-Zn +mp-1042438,ZnSnAs2O7,-6.1497123866,-1.6756784544,0.1441743988,0.1441743988,GGA,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:As-O-Sn-Zn,44.0,A2B7CD_mP44_14_2e_7e_e_e:As-O-Sn-Zn +mp-1042370,SnAs2O7,-6.4282934173,-1.6328304529,0.09269519,0.09269519,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-Sn,40.0,A2B7C_mP40_14_2e_7e_e:As-O-Sn +mp-1045943,ZnSnO2,-5.2743862025,-1.4837129806,0.2272239238,0.2272239238,GGA,P1,A2BC_aP16_1_8a_4a_4a:O-Sn-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-Sn-Zn, expected Zn2Sn3O7 to be ZnSnO2" +mp-1046940,ZnSnO2,-5.3517797238,-1.5611065019,0.1498304025,0.1498304025,GGA,P1,A2BC_aP16_1_8a_4a_4a:O-Sn-Zn,16.0,A2BC_aP16_1_8a_4a_4a:O-Sn-Zn +mp-1369243,ZnSnO2,-5.4011834662,-1.6105102444,0.10042666,0.10042666,GGA,P-1,A2BC_aP16_2_4i_2i_2i:O-Sn-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-Sn-Zn, expected Zn2Sn3O7 to be ZnSnO2" +mp-1045951,ZnSnO2,-5.3026934144,-1.5120201925,0.1989167119,0.1989167119,GGA,P-1,A2BC_aP16_2_4i_2i_2i:O-Sn-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-Sn-Zn, expected Zn2Sn3O7 to be ZnSnO2" +mp-1361638,ZnSnAsO5,-6.0549368934,-1.7222022152,0.1615789446,0.1615789446,GGA,P2_1,AB5CD_mP32_4_2a_10a_2a_2a:As-O-Sn-Zn,32.0,AB5CD_mP32_4_2a_10a_2a_2a:As-O-Sn-Zn +mp-1369593,Zn2Sn9O13,-5.9096248042,-1.6216003391,0.156861091,0.156861091,GGA,P-1,A13B9C2_aP24_2_b6i_c4i_i:O-Sn-Zn,24.0,A13B9C2_mC48_12_a6i_d4i_i:O-Sn-Zn +mp-1333351,Zn3Sn3(AsO4)4,-6.0417174442,-1.672815929,0.1878004384,0.1878004384,GGA,P2_1/c,A4B16C3D3_mP52_14_2e_8e_ae_de:As-O-Sn-Zn,52.0,"Invalid WP multiplicities - A4B16C3D3_mP52_14_5e_29e_ae_de:As-O-Sn-Zn, expected Zn3Sn3(As5O29)2 to be Zn3Sn3(AsO4)4" +mp-1397656,Zn2Sn3O8,-6.0909565977,-1.9277479458,0.0831068885,0.0831068885,GGA,C2/m,A8B3C2_mC26_12_2ij_ah_i:O-Sn-Zn,13.0,A8B3C2_mC26_12_2ij_ah_i:O-Sn-Zn +mp-1042514,Zn2Sn3O8,-6.1083648854,-1.9451562335,0.0656986008,0.0656986008,GGA,P6_3mc,A8B3C2_hP26_186_ab2c_c_2b:O-Sn-Zn,26.0,"Invalid WP multiplicities - A8B3C2_hP26_186_a2b3c_c_2b:O-Sn-Zn, expected Zn2(SnO4)3 to be Zn2Sn3O8" +mp-1045888,ZnSn5O7,-5.7852644985,-1.4826165089,0.2846827896,0.2846827896,GGA,Cmcm,A7B5C_oC52_63_c3f_a2f_c:O-Sn-Zn,26.0,"Invalid WP multiplicities - A7B5C_oC52_63_c3f_a5f_c:O-Sn-Zn, expected ZnSn11O7 to be ZnSn5O7" +mp-1403302,ZnSn2O5,-6.00856839,-1.7570270305,0.272104435,0.272104435,GGA,P1,A5B2C_aP16_1_10a_4a_2a:O-Sn-Zn,16.0,A5B2C_aP16_1_10a_4a_2a:O-Sn-Zn +mp-1043000,ZnSn2O5,-6.2172100419,-1.9656686823,0.0634627831,0.0634627831,GGA,Cmcm,A5B2C_oC32_63_c2f_f_c:O-Sn-Zn,16.0,A5B2C_oC32_63_c2f_f_c:O-Sn-Zn +mp-1179438,SnAs2O9,-5.8989608275,-1.078293572,0.3596444637,0.3596444637,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:As-O-Sn,48.0,A2B9C_mP48_14_2e_9e_e:As-O-Sn +mp-1209694,SnAs2O9,-5.9963491404,-1.1756818849,0.2622561508,0.2622561508,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:As-O-Sn,48.0,A2B9C_mP48_14_2e_9e_e:As-O-Sn +mp-1371279,Zn2Sn2O5,-5.4800307217,-1.5609113343,0.3010707857,0.3010707857,GGA,Pmc2_1,A5B2C2_oP18_26_2a3b_2b_2a:O-Sn-Zn,18.0,"Invalid WP multiplicities - A5B2C2_oP18_26_4a5b_3b_4a:O-Sn-Zn, expected Zn4(SnO3)3 to be Zn2Sn2O5" +mp-1046264,Zn(SnO2)4,-6.2159546938,-1.8412207923,0.1452984205,0.1452984205,GGA,Cm,A8B4C_mC26_8_8a_4a_a:O-Sn-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-Sn-Zn +mp-1047985,Zn(SnO2)4,-6.1851565015,-1.8104226,0.1760966128,0.1760966128,GGA,Cm,A8B4C_mC26_8_8a_4a_a:O-Sn-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-Sn-Zn +mp-1043628,Zn(SnO2)4,-6.1468214931,-1.7720875915,0.2144316213,0.2144316213,GGA,R-3m,A8B4C_hR39_166_ch_bd_a:O-Sn-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:O-Sn-Zn, expected Zn(Sn2O7)2 to be Zn(SnO2)4" +mp-35493,Zn2SnO4,-5.6697227693,-1.9103207807,0.0169837393,0.0169837393,GGA,Imma,A4BC2_oI28_74_hi_a_ce:O-Sn-Zn,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_2hi_a_ce:O-Sn-Zn, expected Zn2SnO6 to be Zn2SnO4" +mp-1103830,Zn2SnO4,-5.5702301686,-1.81082818,0.11647634,0.11647634,GGA,Fd-3m,A4BC2_cF56_227_e_a_d:O-Sn-Zn,14.0,A4BC2_cF56_227_e_a_d:O-Sn-Zn +mp-1337169,ZnSnO3,-5.9206463105000005,-1.8987699908,0.0828422335,0.0828422335,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sn-Zn,20.0,A3BC_oP20_62_cd_a_c:O-Sn-Zn +mp-14628,ZnSnO3,-5.948557964,-1.9266816443,0.05493058,0.05493058,GGA,R-3,A3BC_hR30_148_f_c_c:O-Sn-Zn,10.0,A3BC_hR30_148_f_c_c:O-Sn-Zn +mp-13334,ZnSnO3,-5.9620648890000005,-1.9401885693,0.041423655,0.041423655,GGA,R3c,A3BC_hR30_161_b_a_a:O-Sn-Zn,10.0,A3BC_hR30_161_b_a_a:O-Sn-Zn +mp-1016902,ZnSnO3,-5.29058385,-1.2687075303,0.712904694,0.712904694,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sn-Zn,5.0,A3BC_cP5_221_c_b_a:O-Sn-Zn +mp-1377713,Zn3Sn2O7,-5.7551121571,-1.8863458639,0.0635868662,0.0635868662,GGA,Cmc2_1,A7B2C3_oC48_36_a3b_b_ab:O-Sn-Zn,24.0,"Invalid WP multiplicities - A7B2C3_oC48_36_a4b_b_ab:O-Sn-Zn, expected Zn3Sn2O9 to be Zn3Sn2O7" +mp-1112318,CsK2InCl6,-3.6063327,-1.9104223044,0.1219102042,0.1219102042,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-In-K +mp-1112759,Cs2KInCl6,-3.718258321,-2.0438475829,0.0,-0.0084536455,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-K +mp-1112170,KInCl3,-3.610035066,-1.7284965346,0.0538268715,0.0538268715,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:Cl-In-K,10.0,A3BC_cF40_225_e_ab_c:Cl-In-K +mp-569132,K3InCl6,-3.7382274875,-2.0208174344,0.0,-0.0892389135,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-In-K,40.0,"Invalid WP multiplicities - A6BC3_mP40_14_21e_2ad_12e:Cl-In-K, expected K8InCl14 to be K3InCl6" +mp-1111173,K3InCl6,-3.673556117,-1.9561460639,0.0646713705,-0.024567543,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-In-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-In-K +mp-7786,CsCu3S2,-4.28667597,-0.709022284,0.0,-0.1051896804,GGA,P-3m1,AB3C2_hP6_164_a_f_d:Cs-Cu-S,6.0,AB3C2_hP6_164_a_f_d:Cs-Cu-S +mp-5305,CuAsS,-4.637520815,-0.339262501,0.0,-0.0194658733,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cu-S,12.0,ABC_oP12_62_c_c_c:As-Cu-S +mp-1196438,CsCu2AsS3,-4.434527553,-0.6970584505,0.0,-0.0116129262,GGA,Pbca,ABC2D3_oP56_61_c_c_2c_3c:As-Cs-Cu-S,56.0,ABC2D3_oP56_61_c_c_2c_3c:As-Cs-Cu-S +mp-504884,Cu3AsS3,-4.5742229325,-0.3790675017,0.0330265374,0.0330265374,GGA,I-43m,AB3C3_cI56_217_c_de_g:As-Cu-S,28.0,AB3C3_cI56_217_c_de_g:As-Cu-S +mp-1225920,Cu12As4S13,-4.6207113479,-0.4275802469,0.00249108,-0.0131907469,GGA,P1,A4B12C13_aP29_1_4a_12a_13a:As-Cu-S,29.0,A4B12C13_aP29_1_4a_12a_13a:As-Cu-S +mp-504753,Cu12As4S13,-4.6232024279,-0.4300713269,0.0,-0.0156818269,GGA,I-43m,A4B12C13_cI58_217_c_de_ag:As-Cu-S,29.0,A4B12C13_cI58_217_c_de_ag:As-Cu-S +mp-18003,CsCuS4,-4.3599985763,-0.7699304913,0.0,-0.0083140882,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Cs-Cu-S,24.0,ABC4_oP24_19_a_a_4a:Cs-Cu-S +mp-7785,CsCu4S3,-4.3021270562,-0.5894297247,0.0536462604,0.0536462604,GGA,P4/mmm,AB4C3_tP8_123_a_i_bh:Cs-Cu-S,8.0,AB4C3_tP8_123_a_i_bh:Cs-Cu-S +mp-1199244,CsCuS6,-4.4222624812,-0.6955989508,0.0,-0.073443081,GGA,P-1,ABC6_aP32_2_2i_2i_12i:Cs-Cu-S,32.0,ABC6_aP32_2_2i_2i_12i:Cs-Cu-S +mp-561033,CsCu5S3,-4.297503915,-0.5418611014,0.032555362,0.032555362,GGA,Pmma,AB5C3_oP18_51_e_fij_ej:Cs-Cu-S,18.0,"Invalid WP multiplicities - AB5C3_oP18_51_e_2f3i3j_2e3j:Cs-Cu-S, expected Cs(Cu7S4)2 to be CsCu5S3" +mp-1201464,CsCu5S3,-4.2715557865000005,-0.5159129729,0.0585034905,0.0585034905,GGA,P-42_1c,AB5C3_tP72_114_e_5e_3e:Cs-Cu-S,72.0,AB5C3_tP72_114_e_5e_3e:Cs-Cu-S +mp-1225795,Cu3AsS4,-4.529060145,-0.3412429097,0.1053757994,0.0994210866,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:As-Cu-S,8.0,AB3C4_mP8_6_a_a2b_2a2b:As-Cu-S +mp-3345,Cu3AsS4,-4.6344359444,-0.4466187091,0.0,-0.0059547128,GGA,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:As-Cu-S,16.0,"Invalid WP multiplicities - AB3C4_oP16_31_a_2a2b_2ab:As-Cu-S, expected Cu6AsS4 to be Cu3AsS4" +mp-20545,Cu3AsS4,-4.630628185,-0.4428109497,0.0038077594,-0.0021469534,GGA,P-43m,AB3C4_cP8_215_a_c_e:As-Cu-S,8.0,AB3C4_cP8_215_a_c_e:As-Cu-S +mp-28717,Cu6As4S9,-4.6725745811,-0.437850242,0.0,-0.0125786053,GGA,P1,A4B6C9_aP38_1_8a_12a_18a:As-Cu-S,38.0,A4B6C9_aP38_1_8a_12a_18a:As-Cu-S +mp-554150,Nd3CuGeS7,-6.0844616508,-1.7526428266,0.0,-0.050271577,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-Nd-S,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_b6c:Cu-Ge-Nd-S, expected Nd3CuGeS19 to be Nd3CuGeS7" +mp-10495,NdCuS2,-5.9134555094,-1.6283920503,0.0,-0.0382370262,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Nd-S,16.0,ABC2_mP16_14_e_e_2e:Cu-Nd-S +mp-560086,Nd4(GeS4)3,-5.9046069129,-1.5583399814,0.0002902316,0.0002902316,GGA,R3c,A3B4C12_hR114_161_b_ab_4b:Ge-Nd-S,38.0,"Invalid WP multiplicities - A3B4C12_hR114_161_b_2a2b_18b:Ge-Nd-S, expected Nd8(GeS18)3 to be Nd4(GeS4)3" +mp-1220256,Nd6Ge3S14,-6.1376923578,-1.7729851276000002,0.0,-0.0156660954,GGA,P3,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Nd-S,23.0,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Nd-S +mp-1099765,Eu2Cu2O5,-8.0538073161,-2.1153783721,0.0934705605,0.0934705605,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cu-Eu-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cu-Eu-O +mp-13696,EuCuO2,-8.356255955,-2.2938594819,0.0,-0.0612793602,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Eu-O,4.0,ABC2_hR12_166_a_b_c:Cu-Eu-O +mp-1338333,EuCuO3,-7.8196207095,-1.9803657888,0.0840364775,0.0840364775,GGA,C2/c,ABC3_mC40_15_f_f_3f:Cu-Eu-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_f_8f:Cu-Eu-O, expected EuCuO8 to be EuCuO3" +mp-1075902,EuCuO3,-7.823912492,-1.9846575712,0.079744695,0.079744695,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Eu-O,5.0,ABC3_cP5_221_b_a_c:Cu-Eu-O +mp-22306,Eu2CuO4,-8.87027922,-2.5274270607,0.0301081363,0.0301081363,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-Eu-O,7.0,AB2C4_tI14_139_a_e_cd:Cu-Eu-O +mp-560455,EuCu(MoO4)2,-8.4355523656,-2.133800834,0.0,-0.0054770351,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-Eu-Mo-O,96.0,"Invalid WP multiplicities - ABC2D8_oP96_61_c_c_10c_56c:Cu-Eu-Mo-O, expected EuCu(Mo5O28)2 to be EuCu(MoO4)2" +mp-9418,Eu(CuO2)2,-7.2747523521,-1.8115852114,0.0,-0.1066538796,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Eu-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Eu-O +mp-1101432,Ti8Pb8O23,-7.9492999128,-2.6508652192,0.0700577303,0.0700577303,GGA,Pm,A23B8C8_mP39_6_16a7b_8b_8a:O-Pb-Ti,39.0,A23B8C8_mP39_6_16a7b_8b_8a:O-Pb-Ti +mp-669414,HfPbO3,-8.6897492938,-2.987768847,0.0125117466,0.0125117466,GGA,Pba2,AB3C_oP40_32_2c_2a2b4c_2c:Hf-O-Pb,40.0,"Invalid WP multiplicities - AB3C_oP40_32_5c_4a4b16c_4c:Hf-O-Pb, expected Hf5(PbO5)4 to be HfPbO3" +mp-22734,HfPbO3,-8.6932386622,-2.9912582155000003,0.0090223781,0.0090223781,GGA,Pbam,AB3C_oP40_55_i_efghi_gh:Hf-O-Pb,40.0,AB3C_oP40_55_i_efghi_gh:Hf-O-Pb +mp-1181854,HfPbO3,-8.424724201,-2.7227437542,0.2775368393,0.2775368393,GGA,Pbam,AB3C_oP40_55_i_efghi_gh:Hf-O-Pb,40.0,AB3C_oP40_55_i_efghi_gh:Hf-O-Pb +mp-755790,HfPbO3,-8.687786885,-2.9858064382,0.0144741553,0.0144741553,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hf-O-Pb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Hf-O-Pb, expected HfPbO7 to be HfPbO3" +mp-22535,HfPbO3,-8.66198264,-2.9600021932,0.0402784003,0.0402784003,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hf-O-Pb,5.0,AB3C_cP5_221_b_c_a:Hf-O-Pb +mp-753197,HfTiO4,-9.9997294937,-3.7264901785,0.035082565,0.035082565,GGA,P1,AB4C_aP24_1_4a_16a_4a:Hf-O-Ti,24.0,AB4C_aP24_1_4a_16a_4a:Hf-O-Ti +mp-1224305,HfTiO4,-9.9867910633,-3.7135517481,0.0480209954,0.0480209954,GGA,P2_12_12,AB4C_oP12_18_a_2c_b:Hf-O-Ti,12.0,AB4C_oP12_18_a_2c_b:Hf-O-Ti +mp-504427,Ti3PbO7,-8.7927253305,-3.1540031397,0.0,-0.0020319295,GGA,P2_1/m,A7BC3_mP22_11_7e_e_3e:O-Pb-Ti,22.0,A7BC3_mP22_11_7e_e_3e:O-Pb-Ti +mp-1224767,Hf4Ti(PbO3)5,-8.5496873068,-2.9301747406,0.0163203666,0.0163203666,GGA,P1,A4B15C5D_aP50_1_8a_30a_10a_2a:Hf-O-Pb-Ti,50.0,A4B15C5D_aP50_1_8a_30a_10a_2a:Hf-O-Pb-Ti +mp-1225074,Hf4Ti(PbO3)5,-7.8538811852,-2.234368619,0.7121264882,0.7121264882,GGA,P1,A4B15C5D_aP25_1_4a_15a_5a_a:Hf-O-Pb-Ti,25.0,A4B15C5D_aP25_1_4a_15a_5a_a:Hf-O-Pb-Ti +mp-675600,Hf6PbO18,-8.7378277788,-2.6379806567,0.412953421,0.412953421,GGA,C2/m,A6B18C_mC50_12_ej_fh3i2j_a:Hf-O-Pb,25.0,"Invalid WP multiplicities - A6B18C_mC50_12_2f3j_2e2h6i6j_a:Hf-O-Pb, expected Hf16PbO44 to be Hf6PbO18" +mp-757480,Ti5Pb5O14,-7.9245996733,-2.6206689487,0.093735118,0.093735118,GGA,P1,A14B5C5_aP24_1_14a_5a_5a:O-Pb-Ti,24.0,A14B5C5_aP24_1_14a_5a_5a:O-Pb-Ti +mp-1101033,TiPb15O17,-6.1284929491,-1.6533745807,0.0074957048,0.0074957048,GGA,Pmm2,A17B15C_oP33_25_abd4e3f_c3e4f_a:O-Pb-Ti,33.0,"Invalid WP multiplicities - A17B15C_oP33_25_abd7e5f_c5e8f_a:O-Pb-Ti, expected Ti(PbO)27 to be TiPb15O17" +mp-674350,TiPb9O11,-6.263673581,-1.7054406538,0.0646625782,0.0646625782,GGA,P4,A11B9C_tP21_75_ac2d_b2d_a:O-Pb-Ti,21.0,"Invalid WP multiplicities - A11B9C_tP21_75_a2c6d_b7d_a:O-Pb-Ti, expected Ti(PbO)29 to be TiPb9O11" +mp-676713,Hf8PbO24,-8.7388156633,-2.6148554094,0.427487238,0.427487238,GGA,C2/m,A8B24C_mC66_12_2j_eg4i3j_c:Hf-O-Pb,33.0,"Invalid WP multiplicities - A8B24C_mC66_12_4j_2e2h8i9j_a:Hf-O-Pb, expected Hf16PbO60 to be Hf8PbO24" +mp-1224442,HfTi(PbO3)2,-8.335725426,-2.8399146806,0.0259021972,0.0259021972,GGA,I4mm,AB6C2D_tI20_107_a_2ac_b_a:Hf-O-Pb-Ti,10.0,AB6C2D_tI20_107_a_2ac_b_a:Hf-O-Pb-Ti +mp-1106215,TiPbO3,-8.017888695,-2.7282476509,0.003105511,-0.0233886475,GGA,I4/m,A3BC_tI40_87_3h_h_h:O-Pb-Ti,20.0,A3BC_tI40_87_3h_h_h:O-Pb-Ti +mp-20459,TiPbO3,-8.020994206,-2.7313531619,0.0,-0.0264941585,GGA,P4mm,A3BC_tP5_99_ac_b_a:O-Pb-Ti,5.0,A3BC_tP5_99_ac_b_a:O-Pb-Ti +mp-19845,TiPbO3,-7.97977246,-2.6901314159,0.041221746,0.0147275875,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Ti,5.0,A3BC_cP5_221_c_a_b:O-Pb-Ti +mp-1224603,Hf3Ti2(PbO3)5,-8.4091885332,-2.8721438475000003,0.0205657734,0.0205657734,GGA,Cm,A3B15C5D2_mC50_8_3a_5a5b_5a_2a:Hf-O-Pb-Ti,25.0,"Invalid WP multiplicities - A3B15C5D2_mC50_8_3a_5a10b_5a_2a:Hf-O-Pb-Ti, expected Hf3Ti2(PbO5)5 to be Hf3Ti2(PbO3)5" +mp-1224605,HfTi4(PbO3)5,-8.1447925728,-2.7726836482,0.0124550001,0.0124550001,GGA,Cm,AB15C5D4_mC50_8_a_5a5b_5a_4a:Hf-O-Pb-Ti,25.0,"Invalid WP multiplicities - AB15C5D4_mC50_8_a_5a10b_5a_4a:Hf-O-Pb-Ti, expected HfTi4(PbO5)5 to be HfTi4(PbO3)5" +mp-1224660,HfTi4(PbO3)5,-8.1424132824,-2.7703043578,0.0148342905,0.0148342905,GGA,Pmm2,AB15C5D4_oP25_25_a_abc4e2f_d2f_2e:Hf-O-Pb-Ti,25.0,"Invalid WP multiplicities - AB15C5D4_oP25_25_a_abc6e3f_d3f_3e:Hf-O-Pb-Ti, expected HfTi6(PbO3)7 to be HfTi4(PbO3)5" +mp-1184468,GdBeO3,-9.405294392,-2.8741741443,0.3153102196,0.3153102196,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Gd-O,5.0,ABC3_cP5_221_b_a_c:Be-Gd-O +mp-542469,Gd2Si2O7,-10.3130876823,-3.6194784533,0.0110542391,-0.0127450289,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Gd-O-Si,44.0,A2B7C2_aP44_2_4i_14i_4i:Gd-O-Si +mp-16461,Gd2Si2O7,-10.2939837311,-3.6003745022,0.0301581902,0.0063589223,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Gd-O-Si,44.0,A2B7C2_mP44_14_2e_7e_2e:Gd-O-Si +mp-13775,Gd2Si2O7,-10.3241419214,-3.6305326924,0.0,-0.023799268,GGA,Pnma,A2B7C2_oP44_62_d_3c2d_2c:Gd-O-Si,44.0,A2B7C2_oP44_62_d_3c2d_2c:Gd-O-Si +mp-1194291,GdBe13,-4.6560358414,-0.1782865925,0.0,-0.1782865925,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Gd,28.0,A13B_cF112_226_bi_a:Be-Gd +mp-542831,Gd2SiO5,-11.0226221834,-3.7337464252,0.0,-0.0202004591,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Gd-O-Si,32.0,A2B5C_mP32_14_2e_5e_e:Gd-O-Si +mp-1184484,GdSiO3,-9.751558952,-2.8832576712,0.6070338796,0.6070338796,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Gd-O-Si,5.0,AB3C_cP5_221_a_c_b:Gd-O-Si +mp-1212449,Gd2Be2SiO7,-9.8518025863,-3.5448684847000003,0.0,-0.0212068848,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Gd-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Gd-O-Si +mp-1224635,GdSiO4,-9.6886043367,-3.1405718175,0.1874164839,0.1874164839,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Gd-O-Si,24.0,AB4C_oP24_33_a_4a_a:Gd-O-Si +mp-766122,Mg3Mn4O7,-7.8328329829,-2.3988528188,0.0413673914,0.0413673914,GGA+U,Immm,A3B4C7_oI28_71_ae_2e_c3f:Mg-Mn-O,14.0,"Invalid WP multiplicities - A3B4C7_oI28_71_ae_3e_c3f:Mg-Mn-O, expected Mg3Mn6O7 to be Mg3Mn4O7" +mp-770581,MgMnO3,-7.416279121,-2.2958068258,0.076736935,0.0675179598,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Mg-Mn-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Mg-Mn-O, expected MgMnO7 to be MgMnO3" +mp-770618,MgMnO3,-7.493016056,-2.3725437608,0.0,-0.0092189752,GGA+U,R-3,ABC3_hR30_148_c_c_f:Mg-Mn-O,10.0,ABC3_hR30_148_c_c_f:Mg-Mn-O +mp-976446,MgMnO3,-7.002803858,-1.8823315628,0.490212198,0.4809932228,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Mg-Mn-O,5.0,ABC3_cP5_221_a_b_c:Mg-Mn-O +mp-1222140,Mg3MnO4,-6.9840371153,-2.7653358294,0.0201581809,0.0201581809,GGA+U,I4/mmm,A3BC4_tI16_139_ad_b_ce:Mg-Mn-O,32.0,A3BC4_tI16_139_ad_b_ce:Mg-Mn-O +mp-1030631,Mg3MnO4,-6.970526755,-2.7518254691,0.0336685412,0.0336685412,GGA+U,Pm-3m,A3BC4_cP8_221_c_a_bd:Mg-Mn-O,8.0,"Invalid WP multiplicities - A3BC4_cP8_221_c_a_b2d:Mg-Mn-O, expected Mg3MnO7 to be Mg3MnO4" +mp-1044328,MgMn3O7,-7.5241601555,-1.7320558914,0.3369542967,0.3369542967,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Mg-Mn-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Mg-Mn-O, expected MgMn5O7 to be MgMn3O7" +mp-1831398,MgMnO2,-7.4836249069,-2.3197067157,0.1972410056,0.1972410056,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Mn-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Mg-Mn-O, expected Mg2Mn3O7 to be MgMnO2" +mp-1046065,MgMnO2,-7.4820522919,-2.3181341007,0.1988136206,0.1988136206,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Mn-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Mg-Mn-O, expected Mg2Mn3O7 to be MgMnO2" +mp-1445388,MgMnO2,-5.8238735569,-0.6599553657,1.8569923556,1.8569923556,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Mn-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Mg-Mn-O, expected Mg2Mn3O7 to be MgMnO2" +mp-1399256,MgMnO2,-7.6517649694,-2.4878467782,0.0291009431,0.0291009431,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Mg-Mn-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_2e_3e_7e:Mg-Mn-O, expected Mg2Mn3O7 to be MgMnO2" +mp-1002569,MgMnO2,-7.5148447925,-2.3509266014,0.16602112,0.16602112,GGA+U,Pnnm,ABC2_oP8_58_a_c_g:Mg-Mn-O,8.0,ABC2_oP8_58_a_c_g:Mg-Mn-O +mp-1016154,MgMnO2,-7.5841177613,-2.4201995701,0.0967481512,0.0967481512,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Mg-Mn-O,16.0,ABC2_oP16_62_c_c_2c:Mg-Mn-O +mp-2210666,MgMnO2,-7.478354365,-2.3144361739,0.2025115475,0.2025115475,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Mg-Mn-O,4.0,ABC2_hR12_160_a_a_2a:Mg-Mn-O +mp-2221105,MgMnO2,-7.4619018675,-2.2979836764,0.218964045,0.218964045,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Mg-Mn-O,4.0,ABC2_hR12_160_a_a_2a:Mg-Mn-O +mp-1080243,MgMnO2,-7.66755758,-2.5036393889,0.0133083325,0.0133083325,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Mg-Mn-O,16.0,ABC2_hR12_166_a_b_c:Mg-Mn-O +mp-1003856,MgMnO2,-7.6661921956,-2.5022740045000003,0.0146737169,0.0146737169,GGA+U,Fd-3m,ABC2_cF64_227_c_d_e:Mg-Mn-O,16.0,ABC2_cF64_227_c_d_e:Mg-Mn-O +mp-17619,Sc2Mn2O7,-8.7709174423,-2.8058456447,0.0,-0.0160684719,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Sc,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_a2f_c:Mn-O-Sc, expected Sc2Mn2O13 to be Sc2Mn2O7" +mp-1099805,Mg2Mn2O5,-7.4828497283,-2.3430681461,0.157194285,0.157194285,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Mg-Mn-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Mg-Mn-O +mp-1343337,Mg2Mn2O5,-7.3845215578,-2.2447399755,0.2555224556,0.2555224556,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Mg-Mn-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Mg-Mn-O, expected MgMnO6 to be Mg2Mn2O5" +mp-2229394,MgSc2Mn4O10,-8.4673695676,-2.5626538888,0.161768315,0.161768315,GGA+U,Cm,AB4C10D2_mC34_8_a_4a_10a_2a:Mg-Mn-O-Sc,17.0,AB4C10D2_mC34_8_a_4a_10a_2a:Mg-Mn-O-Sc +mp-2229016,MgSc2Mn4O10,-8.4714428324,-2.5667271535,0.1576950503,0.1576950503,GGA+U,C2/m,AB4C10D2_mC34_12_a_2i_5i_i:Mg-Mn-O-Sc,17.0,"Invalid WP multiplicities - AB4C10D2_mC34_12_a_3i_10i_i:Mg-Mn-O-Sc, expected MgSc2Mn6O20 to be MgSc2Mn4O10" +mp-1219298,ScMn2O4,-9.0443606843,-2.6953243223000003,0.0307574085,0.0307574085,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Mn-O-Sc,14.0,A2B4C_oI28_74_ae_hi_c:Mn-O-Sc +mp-1047828,MgMn4O9,-7.5474581971,-1.6354196529,0.377376524,0.377376524,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Mg-Mn-O,28.0,AB4C9_tP28_85_c_g_a2g:Mg-Mn-O +mp-1222055,MgSc2O4,-8.4111810921,-3.5466135057,0.1613237348,0.1613237348,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-Sc,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-Sc +mp-1045866,Mg2Mn9O13,-8.3547580062,-2.1061892156,0.0942774417,0.0942774417,GGA+U,P-1,A2B9C13_aP24_2_i_b4i_d6i:Mg-Mn-O,24.0,A2B9C13_aP24_2_i_b4i_d6i:Mg-Mn-O +mp-1016144,MgMn3O6,-7.985580803,-2.1089349836,0.0846785067,0.0846785067,GGA+U,Cm,AB3C6_mC20_8_a_3a_6a:Mg-Mn-O,10.0,AB3C6_mC20_8_a_3a_6a:Mg-Mn-O +mp-1233225,MgMn3O6,-7.949672318,-2.0730264986,0.1205869917,0.1205869917,GGA+U,Cm,AB3C6_mC20_8_a_3a_6a:Mg-Mn-O,10.0,AB3C6_mC20_8_a_3a_6a:Mg-Mn-O +mp-1233731,MgMn3O6,-7.901212436,-2.0245666166,0.1690468737,0.1690468737,GGA+U,C2/m,AB3C6_mC20_12_a_ci_3i:Mg-Mn-O,10.0,AB3C6_mC20_12_a_di_3i:Mg-Mn-O +mp-2216492,MgMn3O6,-7.89192356,-2.0152777406,0.1783357497,0.1783357497,GGA+U,C2/m,AB3C6_mC20_12_a_di_3i:Mg-Mn-O,10.0,AB3C6_mC20_12_a_ci_3i:Mg-Mn-O +mp-753303,Mg11Mn2O13,-6.7331168644,-2.8779605421000003,0.0108205025,0.0108205025,GGA+U,Immm,A11B2C13_oI52_71_a5e_e_c6f:Mg-Mn-O,52.0,A11B2C13_oI52_71_a5e_e_c6f:Mg-Mn-O +mp-766029,Mg4Mn9O13,-8.1627865446,-2.2717784264,0.0385952265,0.0385952265,GGA+U,R3m,A4B9C13_hR78_160_4a_9a_13a:Mg-Mn-O,26.0,A4B9C13_hR78_160_4a_9a_13a:Mg-Mn-O +mp-764245,Mg7Mn5O12,-7.427318565,-2.5784726756,0.0279904754,0.0279904754,GGA+U,P3m1,A7B5C12_hP24_156_2ab4c_2a3b_4a4b4c:Mg-Mn-O,24.0,A7B5C12_hP24_156_2ab4c_2a3b_4a4b4c:Mg-Mn-O +mp-1003485,Mg2Mn3O6,-7.7928088736,-2.3049235788,0.1109050627,0.1109050627,GGA+U,C2/m,A2B3C6_mC22_12_i_ai_3i:Mg-Mn-O,11.0,A2B3C6_mC22_12_i_ai_3i:Mg-Mn-O +mp-753927,Mg8Mn3O11,-7.0545195959,-2.7498895005,0.0111912109,0.0111912109,GGA+U,R-3m,A8B3C11_hR66_166_4c_ac_b5c:Mg-Mn-O,44.0,"Invalid WP multiplicities - A8B3C11_hR66_166_4c_2a2c_b5c:Mg-Mn-O, expected Mg8Mn6O11 to be Mg8Mn3O11" +mp-1003484,MgMn4O8,-8.0575450823,-2.0712488586,0.0374045075,0.0374045075,GGA+U,P-1,AB4C8_aP13_2_a_2i_4i:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_4i_8i:Mg-Mn-O, expected MgMn8O16 to be MgMn4O8" +mp-1003545,MgMn4O8,-4.0492902169,1.9370060068,4.0456593729,4.0456593729,GGA+U,P-1,AB4C8_aP13_2_a_2i_4i:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_4i_8i:Mg-Mn-O, expected MgMn8O16 to be MgMn4O8" +mp-1408906,MgMn4O8,-5.90458534,0.0817108837,2.1903642499,2.1903642499,GGA+U,P-1,AB4C8_aP13_2_a_2i_4i:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_4i_8i:Mg-Mn-O, expected MgMn8O16 to be MgMn4O8" +mp-2219024,MgMn4O8,-8.0170614454,-2.0307652217,0.0778881445,0.0778881445,GGA+U,Pm,AB4C8_mP13_6_a_2a2b_4a4b:Mg-Mn-O,13.0,AB4C8_mP13_6_a_2a2b_4a4b:Mg-Mn-O +mp-1080218,MgMn4O8,-8.0480828792,-2.0617866555,0.0468667106,0.0468667106,GGA+U,Pc,AB4C8_mP26_7_a_4a_8a:Mg-Mn-O,26.0,"Invalid WP multiplicities - AB4C8_mP26_7_a_5a_10a:Mg-Mn-O, expected MgMn5O10 to be MgMn4O8" +mp-1399365,MgMn4O8,-7.9731285023,-1.9868322786,0.1218210875,0.1218210875,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Mg-Mn-O,13.0,AB4C8_mC26_8_a_4a_8a:Mg-Mn-O +mp-2219384,MgMn4O8,-8.0221765538,-2.0358803301,0.072773036,0.072773036,GGA+U,C2/m,AB4C8_mC26_12_a_fi_2ij:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_fi_3i3j:Mg-Mn-O, expected MgMn4O18 to be MgMn4O8" +mp-1016146,MgMn4O8,-8.0254868129,-2.0391905892,0.069462777,0.069462777,GGA+U,P2_1/c,AB4C8_mP52_14_e_4e_8e:Mg-Mn-O,52.0,"Invalid WP multiplicities - AB4C8_mP52_14_e_15e_31e:Mg-Mn-O, expected MgMn15O31 to be MgMn4O8" +mp-1004375,MgMn4O8,-8.0548986692,-2.0686024455,0.0400509206,0.0400509206,GGA+U,Imm2,AB4C8_oI26_44_a_cd_2c2d:Mg-Mn-O,13.0,AB4C8_oI26_44_a_cd_2c2d:Mg-Mn-O +mp-2218836,MgMn4O8,-7.8944399385,-1.9081437147,0.2005096514,0.2005096514,GGA+U,Imm2,AB4C8_oI26_44_a_abc_2c2d:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_oI26_44_a_abc_3c3d:Mg-Mn-O, expected MgMn4O12 to be MgMn4O8" +mp-2240833,MgMn4O8,-7.8923788492,-1.9060826255,0.2025707406,0.2025707406,GGA+U,Imm2,AB4C8_oI26_44_a_abc_2c2d:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_oI26_44_a_abc_3c3d:Mg-Mn-O, expected MgMn4O12 to be MgMn4O8" +mp-2218828,MgMn4O8,-7.8498302892,-1.8635340655,0.2451193006,0.2451193006,GGA+U,I-4,AB4C8_tI26_82_a_g_2g:Mg-Mn-O,13.0,AB4C8_tI26_82_a_g_2g:Mg-Mn-O +mp-2219006,MgMn4O8,-7.8394379546,-1.8531417309,0.2555116352,0.2555116352,GGA+U,I4/m,AB4C8_tI26_87_a_h_2h:Mg-Mn-O,13.0,AB4C8_tI26_87_a_h_2h:Mg-Mn-O +mp-2219156,MgMn4O8,-7.5782099615,-1.5919137378,0.5167396283,0.5167396283,GGA+U,I-4m2,AB4C8_tI26_119_a_i_2i:Mg-Mn-O,13.0,AB4C8_tI26_119_a_i_2i:Mg-Mn-O +mp-2218884,MgMn4O8,-8.0123175362,-2.0260213124,0.0826320537,0.0826320537,GGA+U,I-4m2,AB4C8_tI26_119_a_i_2i:Mg-Mn-O,13.0,AB4C8_oF52_22_a_k_2k:Mg-Mn-O +mp-1390795,MgMn4O8,-8.0379698262,-2.0516736024,0.0569797637,0.0569797637,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Mg-Mn-O, expected MgMn4O14 to be MgMn4O8" +mp-2218942,MgMn4O8,-8.05005307,-2.0637568463,0.0448965199,0.0448965199,GGA+U,R-3m,AB4C8_hR39_166_b_ad_ch:Mg-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_2c3h:Mg-Mn-O, expected MgMn4O22 to be MgMn4O8" +mp-2228541,MgMn5O8,-8.27750418,-2.06437088,0.1322173443,0.1322173443,GGA+U,P1,AB5C8_aP14_1_a_5a_8a:Mg-Mn-O,14.0,AB5C8_aP14_1_a_5a_8a:Mg-Mn-O +mp-2241324,MgMn5O8,-8.2828922807,-2.0697589807,0.1268292436,0.1268292436,GGA+U,P1,AB5C8_aP14_1_a_5a_8a:Mg-Mn-O,14.0,AB5C8_aP14_1_a_5a_8a:Mg-Mn-O +mp-2228178,MgMn5O8,-8.3056102657,-2.0924769657,0.1041112586,0.1041112586,GGA+U,C2/m,AB5C8_mC28_12_a_bcde_2ij:Mg-Mn-O,14.0,"Invalid WP multiplicities - AB5C8_mC28_12_a_bcde_3i2j:Mg-Mn-O, expected MgMn5O14 to be MgMn5O8" +mp-2226989,MgMn5O8,-8.3903814279,-2.1772481278,0.0193400964,0.0193400964,GGA+U,I-4m2,AB5C8_tI28_119_a_ci_2i:Mg-Mn-O,14.0,"Invalid WP multiplicities - AB5C8_tI28_119_a_c2i_4i:Mg-Mn-O, expected MgMn9O16 to be MgMn5O8" +mp-19239,Mg6MnO8,-6.7408389045,-2.8516918857,0.0,-0.0248170992,GGA+U,Fm-3m,A6BC8_cF60_225_d_a_ce:Mg-Mn-O,60.0,A6BC8_cF60_225_d_a_ce:Mg-Mn-O +mp-1273488,MgMn2O4,-7.9773574318,-2.3043480776,0.0376921054,0.0153423162,GGA+U,P1,AB2C4_aP28_1_4a_8a_16a:Mg-Mn-O,28.0,AB2C4_aP28_1_4a_8a_16a:Mg-Mn-O +mp-1291746,MgMn2O4,-7.9869756564,-2.3139663023,0.0280738807,0.0057240915,GGA+U,P1,AB2C4_aP28_1_4a_8a_16a:Mg-Mn-O,28.0,AB2C4_aP28_1_4a_8a_16a:Mg-Mn-O +mp-2225278,MgMn2O4,-7.8260112514,-2.1530018973,0.1890382857,0.1666884965,GGA+U,P1,AB2C4_aP7_1_a_2a_4a:Mg-Mn-O,7.0,AB2C4_aP7_1_a_2a_4a:Mg-Mn-O +mp-2228295,MgMn2O4,-7.7632375429,-2.0902281887,0.2518119943,0.2294622051,GGA+U,P1,AB2C4_aP7_1_a_2a_4a:Mg-Mn-O,7.0,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O +mp-1045558,MgMn2O4,-7.90957441,-2.2365650558,0.1054751271,0.083125338,GGA+U,P-1,AB2C4_aP14_2_bc_adfh_4i:Mg-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_bc_adfh_8i:Mg-Mn-O, expected MgMn2O8 to be MgMn2O4" +mp-530444,MgMn2O4,-7.9796627546,-2.3066534004,0.0353867826,0.0130369934,GGA+U,Cm,AB2C4_mC140_8_10a_10a5b_20a10b:Mg-Mn-O,70.0,"Invalid WP multiplicities - AB2C4_mC140_8_10a_10a10b_20a20b:Mg-Mn-O, expected MgMn3O6 to be MgMn2O4" +mp-1365585,MgMn2O4,-7.971834702,-2.2988253478000003,0.0432148352,0.020865046,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Mg-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Mg-Mn-O, expected Mg4Mn11O24 to be MgMn2O4" +mp-1360882,MgMn2O4,-7.970690665,-2.2976813108,0.0443588721,0.022009083,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Mg-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a12b:Mg-Mn-O, expected MgMn3O6 to be MgMn2O4" +mp-1040921,MgMn2O4,-7.9898068388,-2.3167974846,0.0252426983,0.0028929092,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Mg-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a11b:Mg-Mn-O, expected Mg3Mn9O17 to be MgMn2O4" +mp-1041097,MgMn2O4,-7.980523835,-2.3075144808,0.0345257021,0.012175913,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Mg-Mn-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a5b_12a7b:Mg-Mn-O, expected Mg3Mn8O13 to be MgMn2O4" +mp-1302349,MgMn2O4,-7.9876363204,-2.3146269662,0.0274132168,0.0050634276,GGA+U,Cm,AB2C4_mC28_8_2a_2ab_4a2b:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC28_8_2a_2a2b_4a4b:Mg-Mn-O, expected MgMn3O6 to be MgMn2O4" +mp-2225345,MgMn2O4,-7.7668763429,-2.0938669887,0.2481731943,0.2258234051,GGA+U,Cm,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O,7.0,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O +mp-2225899,MgMn2O4,-7.7641042514,-2.0910948973,0.2509452857,0.2285954965,GGA+U,Cm,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O,7.0,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O +mp-2225950,MgMn2O4,-7.7185759714,-2.0455666173,0.2964735657,0.2741237765,GGA+U,Cm,AB2C4_mC14_8_a_2a_4a:Mg-Mn-O,7.0,AB2C4_aP7_1_a_2a_4a:Mg-Mn-O +mp-1307869,MgMn2O4,-7.9884281179,-2.3154187637,0.0266214193,0.0042716301,GGA+U,Cc,AB2C4_mC56_9_2a_4a_8a:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC56_9_2a_6a_12a:Mg-Mn-O, expected MgMn3O6 to be MgMn2O4" +mp-1002568,MgMn2O4,-7.9434997993,-2.2704904451,0.0715497379,0.0491999487,GGA+U,P2/m,AB2C4_mP7_10_d_bc_mn:Mg-Mn-O,14.0,AB2C4_mP7_10_e_bc_mn:Mg-Mn-O +mp-2225402,MgMn2O4,-7.8681224557,-2.1951131016,0.1469270814,0.1245772923,GGA+U,P2/m,AB2C4_mP7_10_b_ce_mn:Mg-Mn-O,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_c_bd_m2n:Mg-Mn-O, expected MgMn2O6 to be MgMn2O4" +mp-1326619,MgMn2O4,-7.8806415657,-2.2076322116,0.1344079714,0.1120581823,GGA+U,P2_1/m,AB2C4_mP28_11_2e_acf_4f:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_11_2e_2adf_7f:Mg-Mn-O, expected Mg2Mn5O14 to be MgMn2O4" +mp-1401930,MgMn2O4,-7.8771668614,-2.2041575073,0.1378826757,0.1155328865,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Mg-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Mg-Mn-O, expected MgMn3O7 to be MgMn2O4" +mp-2227097,MgMn2O4,-7.9295603214,-2.2565509673,0.0854892157,0.0631394265,GGA+U,C2/m,AB2C4_mC14_12_a_i_2i:Mg-Mn-O,7.0,"Invalid WP multiplicities - AB2C4_mC14_12_a_i_4i:Mg-Mn-O, expected MgMn2O8 to be MgMn2O4" +mp-1003641,MgMn2O4,-7.8470686957,-2.1740593416,0.1679808414,0.1456310523,GGA+U,P2/c,AB2C4_mP56_13_2g_4g_8g:Mg-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_mP56_13_6g_14g_30g:Mg-Mn-O, expected Mg3Mn7O15 to be MgMn2O4" +mp-1373625,MgMn2O4,-7.8788806096,-2.2058712555,0.1361689275,0.1138191383,GGA+U,P2/c,AB2C4_mP28_13_ef_adg_4g:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_13_ef_adg_6g:Mg-Mn-O, expected MgMn2O6 to be MgMn2O4" +mp-1003770,MgMn2O4,-7.9540209671,-2.281011613,0.06102857,0.0386787808,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_6e_12e:Mg-Mn-O, expected MgMn6O12 to be MgMn2O4" +mp-1097820,MgMn2O4,-7.9201845875,-2.2471752333,0.0948649496,0.0725151605,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Mg-Mn-O,28.0,AB2C4_mP28_14_e_2e_4e:Mg-Mn-O +mp-1003735,MgMn2O4,-7.9648215389,-2.2918121848,0.0502279982,0.027878209,GGA+U,C2/c,AB2C4_mC56_15_ce_2f_4f:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mC56_15_ae_2f_10f:Mg-Mn-O, expected MgMn2O10 to be MgMn2O4" +mp-1301572,MgMn2O4,-7.9574183693,-2.2844090151,0.0576311679,0.0352813787,GGA+U,C222_1,AB2C4_oC28_20_a_c_abc:Mg-Mn-O,14.0,AB2C4_oC28_20_a_c_abc:Mg-Mn-O +mp-2224251,MgMn2O4,-7.8687587571,-2.195749403,0.14629078,0.1239409908,GGA+U,Pmm2,AB2C4_oP7_25_a_ad_2b2c:Mg-Mn-O,7.0,AB2C4_oP7_25_a_ad_2b2c:Mg-Mn-O +mp-1041928,MgMn2O4,-7.9441266036,-2.2711172494,0.0709229336,0.0485731444,GGA+U,Pbcm,AB2C4_oP28_57_d_e_cde:Mg-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_57_d_e_3c3d5e:Mg-Mn-O, expected MgMn2O16 to be MgMn2O4" +mp-1374186,MgMn2O4,-7.8805353336,-2.2075259794,0.1345142036,0.1121644144,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Mn-O,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Mn-O +mp-1047659,MgMn2O4,-7.9141287093,-2.2411193551,0.1009208279,0.0785710387,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Mg-Mn-O,14.0,AB2C4_oC28_63_c_f_acf:Mg-Mn-O +mp-1041914,MgMn2O4,-7.9681276371,-2.295118283,0.0469218999999999,0.0245721108,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Mg-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Mg-Mn-O, expected MgMn2O10 to be MgMn2O4" +mp-1047292,MgMn2O4,-7.9949501464,-2.3219407923,0.0200993907,-0.0022503985,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Mg-Mn-O,14.0,AB2C4_tI28_88_a_d_f:Mg-Mn-O +mp-27510,MgMn2O4,-8.0150495371,-2.342040183,0.0,-0.0223497892,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Mg-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Mg-Mn-O +mp-2227040,MgMn2O4,-7.5048395557,-1.8318302016,0.5102099814000001,0.4878601923,GGA+U,P3m1,AB2C4_hP7_156_a_bc_2a2b:Mg-Mn-O,7.0,AB2C4_hP7_156_a_bc_2a2b:Mg-Mn-O +mp-1048868,MgMn2O4,-7.9743321093,-2.3013227551,0.0407174279,0.0183676387,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Mg-Mn-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Mg-Mn-O +mp-2225840,MgMn2O4,-7.6875485629,-2.0145392087,0.3275009743,0.3051511851,GGA+U,R3m,AB2C4_hR21_160_a_2a_4a:Mg-Mn-O,7.0,AB2C4_hR21_160_a_2a_4a:Mg-Mn-O +mp-2225574,MgMn2O4,-7.7517098214,-2.0787004673,0.2633397157,0.2409899265,GGA+U,R3m,AB2C4_hR21_160_a_2a_4a:Mg-Mn-O,7.0,AB2C4_hR21_160_a_2a_4a:Mg-Mn-O +mp-2225594,MgMn2O4,-7.717101149999999,-2.0440917958,0.2979483871,0.275598598,GGA+U,P-3m1,AB2C4_hP7_164_a_c_2d:Mg-Mn-O,7.0,"Invalid WP multiplicities - AB2C4_hP7_164_a_c_4d:Mg-Mn-O, expected MgMn2O8 to be MgMn2O4" +mp-1409503,MgMn2O4,-7.7724577921,-2.099448438,0.242591745,0.2202419558,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Mn-O,14.0,AB2C4_cF56_227_a_d_e:Mg-Mn-O +mp-755023,Mg2Mn3O8,-7.6552489677,-2.2506246857,0.0,-0.0086652998,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Mg-Mn-O,13.0,"Invalid WP multiplicities - A2B3C8_mC26_12_i_ah_3i2j:Mg-Mn-O, expected Mg2Mn3O14 to be Mg2Mn3O8" +mp-770423,Mg2Mn3O8,-7.6502252569,-2.2456009749,0.0050237108,-0.003641589,GGA+U,Pmn2_1,A2B3C8_oP26_31_2a_ab_4a2b:Mg-Mn-O,26.0,"Invalid WP multiplicities - A2B3C8_oP26_31_3a_2a2b_8a6b:Mg-Mn-O, expected Mg3Mn6O20 to be Mg2Mn3O8" +mp-770173,Mg2Mn3O8,-7.6033079612,-2.1986836791,0.0519410065,0.0432757067,GGA+U,Cmce,A2B3C8_oC52_64_f_ae_2fg:Mg-Mn-O,26.0,"Invalid WP multiplicities - A2B3C8_oC52_64_f_a2e_5f2g:Mg-Mn-O, expected Mg2Mn5O18 to be Mg2Mn3O8" +mp-756696,Mg2Mn3O8,-7.6135149685,-2.2088906864,0.0417339992,0.0330686994,GGA+U,R3m,A2B3C8_hR39_160_2a_b_2a2b:Mg-Mn-O,13.0,A2B3C8_hR39_160_2a_b_2a2b:Mg-Mn-O +mp-1042694,Mg2Mn3O8,-7.6424765769,-2.2378522949,0.0127723908,0.004107091,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Mg-Mn-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Mg-Mn-O, expected Mg2Mn3O12 to be Mg2Mn3O8" +mp-1003771,MgMn6O12,-8.0886736574,-1.9869559554,0.0263368117,0.0263368117,GGA+U,Cc,AB6C12_mC76_9_a_6a_12a:Mg-Mn-O,38.0,"Invalid WP multiplicities - AB6C12_mC76_9_a_12a_24a:Mg-Mn-O, expected MgMn12O24 to be MgMn6O12" +mp-2228326,MgMn6O12,-7.7960329053,-1.6943152033,0.3189775638,0.3189775638,GGA+U,P2/m,AB6C12_mP19_10_b_cemn_3m3n:Mg-Mn-O,19.0,AB6C12_mP19_10_c_bdmn_3m3n:Mg-Mn-O +mp-2228365,MgMn6O12,-7.9762945937,-1.8745768917,0.1387158754,0.1387158754,GGA+U,P2/m,AB6C12_mP19_10_b_cemn_3m3n:Mg-Mn-O,19.0,AB6C12_mP19_10_c_bdmn_3m3n:Mg-Mn-O +mp-773517,ScMn2O5,-8.7097206575,-2.5359777518,0.0226296351,0.0226296351,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Sc,32.0,"Invalid WP multiplicities - A2B5C_oP32_55_2e2g_2f4g2h4i_h:Mn-O-Sc, expected ScMn4O16 to be ScMn2O5" +mp-770412,ScMn2O5,-8.6928339138,-2.5190910081,0.0395163789,0.0395163789,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Mn-O-Sc,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_2c6f_c:Mn-O-Sc, expected ScMn2O14 to be ScMn2O5" +mp-770496,Mg2Mn3O7,-7.75341638,-2.3106308004,0.0441192067,0.0441192067,GGA+U,P-1,A2B3C7_aP24_2_2i_3i_7i:Mg-Mn-O,24.0,"Invalid WP multiplicities - A2B3C7_aP24_2_3i_5i_13i:Mg-Mn-O, expected Mg3Mn5O13 to be Mg2Mn3O7" +mp-1367812,Mg2Mn3O7,-5.55235334,-0.1095677604,2.2451822467,2.2451822467,GGA+U,P-1,A2B3C7_aP24_2_2i_3i_7i:Mg-Mn-O,24.0,"Invalid WP multiplicities - A2B3C7_aP24_2_3i_5i_13i:Mg-Mn-O, expected Mg3Mn5O13 to be Mg2Mn3O7" +mp-1105811,ScMnO3,-9.009025804,-2.9421156978000003,0.0499739206,0.0499739206,GGA+U,P2_1/c,AB3C_mP20_14_ad_3e_e:Mn-O-Sc,20.0,AB3C_mP20_14_ab_3e_e:Mn-O-Sc +mp-18954,ScMnO3,-9.0512142857,-2.9843041795,0.0077854389,0.0077854389,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mn-O-Sc,30.0,AB3C_hP30_185_c_ab2c_ab:Mn-O-Sc +mp-1383517,MgMn2O5,-7.4439350844,-1.8617158106,0.305668897,0.305668897,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Mg-Mn-O,16.0,AB2C5_oP16_59_a_e_b2e:Mg-Mn-O +mp-1043161,MgMn2O5,-7.4569688569,-1.8747495831,0.2926351245,0.2926351245,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Mg-Mn-O,16.0,AB2C5_oC32_63_c_f_c2f:Mg-Mn-O +mp-2217657,MgMn4O6,-8.2680327436,-2.0927169722,0.1278052773,0.1278052773,GGA+U,P1,AB4C6_aP11_1_a_4a_6a:Mg-Mn-O,11.0,AB4C6_aP11_1_a_4a_6a:Mg-Mn-O +mp-2217359,MgMn4O6,-8.3092652755,-2.133949504,0.0865727455,0.0865727455,GGA+U,P-1,AB4C6_aP11_2_a_2i_3i:Mg-Mn-O,11.0,"Invalid WP multiplicities - AB4C6_aP11_2_a_3i_5i:Mg-Mn-O, expected MgMn6O10 to be MgMn4O6" +mp-1042648,MgMn4O6,-8.302462705,-2.1271469336,0.0933753159,0.0933753159,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Mg-Mn-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_4f_ac2f:Mg-Mn-O, expected MgMn8O6 to be MgMn4O6" +mp-1221950,MgMn2O3,-8.1194787033,-2.3254159087,0.0125009533,0.0125009533,GGA+U,P-3m1,AB2C3_hP6_164_a_d_bd:Mg-Mn-O,12.0,AB2C3_hP6_164_a_d_bd:Mg-Mn-O +mp-553897,Ba2Si3O8,-7.9692784969,-3.3779389846,0.0007777571,0.000216046,GGA,P2_1,A2B8C3_mP52_4_4a_16a_6a:Ba-O-Si,52.0,"Invalid WP multiplicities - A2B8C3_mP52_4_8a_32a_11a:Ba-O-Si, expected Ba8Si11O32 to be Ba2Si3O8" +mp-29222,Ba2Si3O8,-7.970056254,-3.3787167417,0.0,-0.0005617112,GGA,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:Ba-O-Si,52.0,A2B8C3_mP52_14_2e_8e_3e:Ba-O-Si +mp-755363,Ba3SiO,-4.5428334790000005,-1.3170471668,0.0,-0.0095401437,GGA,Pnma,A3BC_oP20_62_cd_a_c:Ba-O-Si,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:Ba-O-Si, expected Ba7SiO to be Ba3SiO" +mp-754940,Ba3SiO,-4.491329226,-1.2655429138,0.051504253,0.0419641093,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-O-Si,5.0,A3BC_cP5_221_c_b_a:Ba-O-Si +mp-7765,Ba3SiO5,-7.2295692461,-3.2389374232,0.0041164497,0.0041164497,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ba-O-Si,18.0,A3B5C_tI36_140_ah_cl_b:Ba-O-Si +mp-752405,Dy2SiO5,-8.7170209575,-3.7954790492,0.0228268347,-0.0238907591,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Dy-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_19e_e:Dy-O-Si, expected Dy3SiO19 to be Dy2SiO5" +mp-768317,Dy2SiO5,-8.7398477922,-3.8183058839,0.0,-0.0467175938,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:Dy-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_5f_17f_f:Dy-O-Si, expected Dy5SiO17 to be Dy2SiO5" +mp-768411,Dy2SiO5,-8.65839634,-3.7368544317,0.0814514522,0.0347338584,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Dy-O-Si,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Dy-O-Si, expected Dy5SiO17 to be Dy2SiO5" +mp-17612,Ba2SiO4,-7.5127071289,-3.3627038782,0.0,-0.0645381839,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ba-O-Si,28.0,A2B4C_oP28_62_2c_2cd_c:Ba-O-Si +mp-1225780,Dy2Si2O7,-8.6342475056,-3.6623356221,0.0058955905,0.0058955905,GGA,P1,A2B7C2_aP66_1_12a_42a_12a:Dy-O-Si,66.0,A2B7C2_aP66_1_12a_42a_12a:Dy-O-Si +mp-17062,Dy2Si2O7,-8.6349291095,-3.663017226,0.0052139866,0.0052139866,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Dy-O-Si,44.0,A2B7C2_aP44_2_4i_14i_4i:Dy-O-Si +mp-1195063,BaDy2Si3O10,-8.4111283753,-3.6064165114,0.0,-0.0165052891,GGA,P2_1/m,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Dy-O-Si,32.0,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Dy-O-Si +mp-1182475,BaSi2O9,-6.5783703292,-1.8042195457,0.4367914948,0.4367914948,GGA,Pnma,AB9C2_oP48_62_c_3c3d_d:Ba-O-Si,48.0,AB9C2_oP48_62_c_3c3d_d:Ba-O-Si +mp-1205232,BaSi2O9,-6.3569442273,-1.5827934439,0.6582175967,0.6582175967,GGA,Pnma,AB9C2_oP48_62_c_3c3d_d:Ba-O-Si,48.0,AB9C2_oP48_62_c_3c3d_d:Ba-O-Si +mp-29223,Ba3Si5O13,-7.9976380604,-3.3695205263,0.0026437656,0.0026437656,GGA,P2_1/c,A3B13C5_mP84_14_3e_13e_5e:Ba-O-Si,84.0,"Invalid WP multiplicities - A3B13C5_mP84_14_3e_15e_5e:Ba-O-Si, expected Ba3(SiO3)5 to be Ba3Si5O13" +mp-563032,Ba21Si2O5,-3.7175722714,-1.0074810801,0.0683818835,0.0683818835,GGA,Fd-3m,A21B5C2_cF224_227_acfg_be_d:Ba-O-Si,56.0,"Invalid WP multiplicities - A21B5C2_cF224_227_2a4c8f8g_2b3e_d:Ba-O-Si, expected Ba77SiO7 to be Ba21Si2O5" +mp-669333,Ba5Si8O21,-7.9837187318,-3.3696633825,0.0050062579,0.0050062579,GGA,C2/c,A5B21C8_mC136_15_a2f_e10f_4f:Ba-O-Si,68.0,"Invalid WP multiplicities - A5B21C8_mC136_15_2c7f_2e38f_14f:Ba-O-Si, expected Ba8Si14O39 to be Ba5Si8O21" +mp-1183286,BaDyO3,-7.3938727,-3.1207071173,0.108720871,0.108720871,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Dy-O,5.0,ABC3_cP5_221_a_b_c:Ba-Dy-O +mp-9478,BaSi4O9,-8.1566036182,-3.2894289424,0.0320228448,0.0320228448,GGA,P-6c2,AB9C4_hP28_188_a_kl_ck:Ba-O-Si,28.0,"Invalid WP multiplicities - AB9C4_hP28_188_a_k2l_ck:Ba-O-Si, expected BaSi4O15 to be BaSi4O9" +mp-776076,BaSiO3,-7.8027285388,-3.365856718,0.0389198642,0.0072555215,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Ba-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_7e_23e_7e:Ba-O-Si, expected Ba7Si7O23 to be BaSiO3" +mp-776084,BaSiO3,-7.841648403,-3.4047765822,0.0,-0.0316643428,GGA,C2/c,AB3C_mC60_15_cf_e4f_ef:Ba-O-Si,30.0,"Invalid WP multiplicities - AB3C_mC60_15_2af_2e15f_2e3f:Ba-O-Si, expected Ba(SiO4)2 to be BaSiO3" +mp-7339,BaSiO3,-7.8196165525,-3.3827447318,0.0220318505,-0.0096324923,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:Ba-O-Si,20.0,AB3C_oP20_19_a_3a_a:Ba-O-Si +mp-12958,BaSiO3,-7.5469473867,-3.1100755659,0.2947010163,0.2630366736,GGA,R-3m,AB3C_hR45_166_bc_dh_ac:Ba-O-Si,15.0,AB3C_hR45_166_bc_dh_ac:Ba-O-Si +mp-18407,BaSiO3,-7.433081184,-2.9962093633,0.408567219,0.3769028762,GGA,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Ba-O-Si,30.0,AB3C_hP30_194_bf_hk_af:Ba-O-Si +mp-1016821,BaSiO3,-7.280380138,-2.8435083172,0.561268265,0.5296039222,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Si,5.0,AB3C_cP5_221_a_c_b:Ba-O-Si +mp-5224,BaSi2O5,-8.0460722204,-3.3581904009,0.0033261599,-0.0002270315,GGA,C2/c,AB5C2_mC96_15_af_e7f_3f:Ba-O-Si,48.0,"Invalid WP multiplicities - AB5C2_mC96_15_cf_e8f_3f:Ba-O-Si, expected Ba3Si6O17 to be BaSi2O5" +mp-3031,BaSi2O5,-8.0493983803,-3.3615165608,0.0,-0.0035531914,GGA,Pnma,AB5C2_oP32_62_c_c2d_d:Ba-O-Si,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_c3d_d:Ba-O-Si, expected BaSi2O7 to be BaSi2O5" +mp-8974,Ba3Dy4O9,-7.8585821544,-3.564565243,0.0111142769,0.0111142769,GGA,R3,A3B4C9_hR48_146_3a_4a_3b:Ba-Dy-O,16.0,A3B4C9_hR48_146_3a_4a_3b:Ba-Dy-O +mp-1199927,Ba5(Si2O7)2,-7.4983401063,-3.1266101595,0.1178832182,0.1178832182,GGA,P4/mnc,A5B14C4_tP46_128_ag_ehi_h:Ba-O-Si,46.0,A5B14C4_tP46_128_ag_ehi_h:Ba-O-Si +mp-1191804,BaSiO4,-7.0616666946,-2.5398253921,0.2974884265,0.2974884265,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Ba-O-Si,24.0,AB4C_aP24_2_2i_8i_2i:Ba-O-Si +mp-1194284,BaDy2O4,-8.1000658243,-3.6830224721,0.0,-0.0114823486,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Dy-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Dy-O +mp-1443685,CaTi4O8,-8.9877963631,-3.3600211603,0.0939767365,0.0939767365,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Ca-O-Ti,13.0,AB8C4_mC26_8_a_8a_4a:Ca-O-Ti +mp-1387047,CaTi4O8,-9.0172874908,-3.3895122879,0.0644856088,0.0644856088,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-O-Ti, expected CaTi4O14 to be CaTi4O8" +mp-1096895,Ca2Ti2O5,-8.2363671456,-3.2879641067,0.0692301819,0.0692301819,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_abcd:Ca-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_3e_14e_2a2b2cd:Ca-O-Ti, expected Ca6Ti7O28 to be Ca2Ti2O5" +mp-1076151,Ca2Ti2O5,-8.1994039939,-3.251000955,0.1061933336,0.1061933336,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:Ca-O-Ti,18.0,A2B5C2_oI36_46_c_b2c_ab:Ca-O-Ti +mp-1370679,Ca2Ti2O5,-8.2239396783,-3.2755366395,0.0816576492,0.0816576492,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Ca-O-Ti,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Ca-O-Ti, expected CaTiO6 to be Ca2Ti2O5" +mp-1040874,CaTi4O9,-9.0152703771,-3.4361442094,0.0915100268,0.0915100268,GGA,P4/n,AB9C4_tP28_85_c_a2g_g:Ca-O-Ti,28.0,AB9C4_tP28_85_c_a2g_g:Ca-O-Ti +mp-4019,CaTiO3,-8.5050821395,-3.5568505334,0.0,-0.017569604,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Ti +mp-1205364,CaTiO3,-8.4924123725,-3.5441807664,0.012669767,-0.004899837,GGA,Cmcm,AB3C_oC40_63_2c_efg_d:Ca-O-Ti,20.0,AB3C_oC40_63_2c_efg_d:Ca-O-Ti +mp-556003,CaTiO3,-8.494010028,-3.5457784219,0.0110721115,-0.0064974925,GGA,Imma,AB3C_oI20_74_e_eg_a:Ca-O-Ti,10.0,"Invalid WP multiplicities - AB3C_oI20_74_e_2e2g_a:Ca-O-Ti, expected CaTiO6 to be CaTiO3" +mp-3442,CaTiO3,-8.486598432,-3.5383668259,0.0184837075,0.0009141035,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ca-O-Ti,10.0,AB3C_tI20_140_b_ah_c:Ca-O-Ti +mp-754701,CaTiO3,-8.476729451,-3.5284978449,0.0283526885,0.0107830845,GGA,R-3,AB3C_hR30_148_c_f_c:Ca-O-Ti,10.0,AB3C_hR30_148_c_f_c:Ca-O-Ti +mp-5827,CaTiO3,-8.440614542,-3.4923829359000003,0.0644675975,0.0468979935,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Ti,5.0,AB3C_cP5_221_a_c_b:Ca-O-Ti +mp-20079,CaPbO3,-6.2856399865,-2.1739773697,0.002454473,0.002454473,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Pb,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Pb +mp-1397126,Ca2Ti3O8,-8.731400796900001,-3.55669422,0.0,-0.0073127994,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Ti,13.0,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Ti +mp-1042523,Ca2Ti3O8,-8.6371920769,-3.4624855,0.09420872,0.0868959206,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Ca-O-Ti,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Ca-O-Ti, expected Ca2Ti3O12 to be Ca2Ti3O8" +mp-1344933,CaTiO2,-7.6394453475,-2.6908280177,0.416795965,0.416795965,GGA,P1,AB2C_aP16_1_4a_8a_4a:Ca-O-Ti,16.0,AB2C_aP16_1_4a_8a_4a:Ca-O-Ti +mp-1045983,CaTiO2,-7.9000195125,-2.9514021827,0.1562218,0.1562218,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-Ti,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-Ti, expected Ca2Ti3O7 to be CaTiO2" +mp-1046918,CaTiO2,-7.80023369,-2.8516163602,0.2560076225,0.2560076225,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-Ti, expected Ca2Ti3O7 to be CaTiO2" +mp-1385378,CaTiO2,-7.4365915875,-2.4879742577,0.619649725,0.619649725,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-Ti,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-Ti, expected Ca2Ti3O7 to be CaTiO2" +mp-1405520,CaTiO2,-7.7361139037,-2.787496574,0.3201274087,0.3201274087,GGA,C2/m,AB2C_mC32_12_2i_4i_2i:Ca-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-Ti, expected Ca2Ti3O7 to be CaTiO2" +mp-1396930,CaTiO2,-7.6768791744,-2.7282618446,0.3793621381,0.3793621381,GGA,C2/m,AB2C_mC32_12_2i_4i_2i:Ca-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-Ti, expected Ca2Ti3O7 to be CaTiO2" +mp-1043835,CaTi3O7,-8.9622391684,-3.4787030858,0.0558151466,0.0558151466,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-O-Ti,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Ca-O-Ti, expected CaTi5O7 to be CaTi3O7" +mp-1227856,Ca3Ti4PbO12,-8.362856682,-3.3292727164,0.0212034741,0.0212034741,GGA,Pm,A3B12CD4_mP20_6_a2b_2a2b4c_a_2c:Ca-O-Pb-Ti,20.0,"Invalid WP multiplicities - A3B12CD4_mP20_6_a2b_2a2b8c_a_4c:Ca-O-Pb-Ti, expected Ca3Ti8PbO20 to be Ca3Ti4PbO12" +mp-1046693,CaTi4O6,-8.8828542805,-3.1312451701,0.072010032,0.072010032,GGA,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Ca-O-Ti,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Ca-O-Ti, expected CaTi12O6 to be CaTi4O6" +mp-1341727,CaTi5O7,-8.9041276762,-3.0495214498,0.1084010175,0.1084010175,GGA,Cmcm,AB7C5_oC52_63_c_c3f_a2f:Ca-O-Ti,26.0,"Invalid WP multiplicities - AB7C5_oC52_63_c_c3f_a5f:Ca-O-Ti, expected CaTi11O7 to be CaTi5O7" +mp-1327109,CaTi2O4,-8.5921082423,-3.2230598483,0.148574083,0.148574083,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Ca-O-Ti,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Ca-O-Ti, expected Ca4Ti11O24 to be CaTi2O4" +mp-1354855,CaTi2O4,-8.5891287931,-3.220080399,0.1515535323,0.1515535323,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Ca-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Ca-O-Ti, expected CaTi3O6 to be CaTi2O4" +mp-1390652,CaTi2O4,-8.5514091671,-3.1823607731,0.1892731582,0.1892731582,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Ca-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Ca-O-Ti, expected CaTi3O7 to be CaTi2O4" +mp-1345605,CaTi2O4,-8.7056961889,-3.3366477949,0.0349861364,0.0349861364,GGA,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Ti,28.0,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Ti +mp-1345518,CaTi2O4,-8.6714758846,-3.3024274906,0.0692064407,0.0692064407,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Ti,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-Ti +mp-3463,CaTi2O4,-8.716154075,-3.347105681,0.0245282504,0.0245282504,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Ti,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-Ti +mp-1041570,CaTi2O4,-8.5590816,-3.190033206,0.1816007254,0.1816007254,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Ca-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h3i_ce:Ca-O-Ti, expected CaTi2O12 to be CaTi2O4" +mp-1445898,CaTi2O4,-8.6316588236,-3.2626104295,0.1090235018,0.1090235018,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Ca-O-Ti,14.0,AB4C2_tI28_141_a_h_d:Ca-O-Ti +mp-1044645,CaTi2O4,-8.62550503,-3.256456636,0.1151772954,0.1151772954,GGA,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Ca-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c16d_a2b8d:Ca-O-Ti, expected Ca2Ti9O18 to be CaTi2O4" +mp-1044919,CaTi2O4,-8.6150253676,-3.2459769736,0.1256569577,0.1256569577,GGA,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Ca-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c13d_a2b7d:Ca-O-Ti, expected Ca2Ti8O15 to be CaTi2O4" +mp-1044676,CaTi2O4,-8.6055303929,-3.2364819988,0.1351519325,0.1351519325,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Ti,14.0,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Ti +mp-1047318,CaTi2O4,-8.633703785,-3.264655391,0.1069785404,0.1069785404,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Ti +mp-15315,Ca4Ti3O10,-8.3010097474,-3.5259648837,0.0014509446,0.0014509446,GGA,Pbca,A4B10C3_oP68_61_2c_5c_ac:Ca-O-Ti,68.0,"Invalid WP multiplicities - A4B10C3_oP68_61_2c_8c_ac:Ca-O-Ti, expected Ca4Ti3O16 to be Ca4Ti3O10" +mp-1045642,Ca2Ti9O13,-8.8939113008,-3.086512086,0.0921878848,0.0921878848,GGA,C2/m,A2B13C9_mC48_12_i_a6i_d4i:Ca-O-Ti,24.0,A2B13C9_mC48_12_i_a6i_c4i:Ca-O-Ti +mp-1096860,Ca2TiO4,-7.9769062357,-3.449271004,0.0360952454,0.0360952454,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ca-O-Ti,7.0,A2B4C_tI14_139_e_ce_a:Ca-O-Ti +mp-1403610,CaTi2O5,-8.8609666587,-3.5447132251,0.0018170006,0.0018170006,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-O-Ti,16.0,AB5C2_oP16_59_a_b2e_e:Ca-O-Ti +mp-1042976,CaTi2O5,-8.8049253437,-3.4886719101,0.0578583156,0.0578583156,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-Ti,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-Ti +mp-4163,Ca3Ti2O7,-8.2154748675,-3.5125911465,0.0025602213,0.0025602213,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-Ti,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Ca-O-Ti, expected Ca3Ti2O9 to be Ca3Ti2O7" +mp-1181883,CaTi2O6,-8.2495323725,-2.9743416857,0.178129626,0.178129626,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-O-Ti,36.0,AB6C2_mP36_14_e_6e_2e:Ca-O-Ti +mp-1181977,CaTi2O6,-8.2069905372,-2.9317998505,0.2206714612,0.2206714612,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-O-Ti,36.0,AB6C2_mP36_14_e_6e_2e:Ca-O-Ti +mp-1188864,CaTi2O6,-8.2491615433,-2.9739708566000003,0.1785004551,0.1785004551,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ca-O-Ti,18.0,AB6C2_mC36_15_e_3f_f:Ca-O-Ti +mp-1079825,CaTi2O6,-8.2440431644,-2.9688524777,0.183618834,0.183618834,GGA,P-31m,AB6C2_hP9_162_a_k_d:Ca-O-Ti,9.0,AB6C2_hP9_162_a_k_d:Ca-O-Ti +mp-1228014,CaTi2PbO6,-8.252695934,-3.1337596089,0.0103422388,0.0103422388,GGA,Amm2,AB6CD2_oC20_38_a_2bde_a_e:Ca-O-Pb-Ti,10.0,AB6CD2_oC20_38_a_2bde_a_e:Ca-O-Pb-Ti +mp-1237057,CaTi2PbO6,-8.228346268,-3.1094099429,0.0346919048,0.0346919048,GGA,P4mm,AB6CD2_tP10_99_a_2b2c_a_2b:Ca-O-Pb-Ti,10.0,"Invalid WP multiplicities - AB6CD2_tP10_99_a_2b4c_a_2b:Ca-O-Pb-Ti, expected CaTi2PbO10 to be CaTi2PbO6" +mp-21137,Ca2PbO4,-6.4819192029,-2.5518332493,0.0,-0.0542335454,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Ca-O-Pb,14.0,A2B4C_oP14_55_g_gh_b:Ca-O-Pb +mp-20273,Ca3PbO,-4.62479418,-1.6895670957000002,0.0,-0.036341484,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-O-Pb,5.0,A3BC_cP5_221_c_b_a:Ca-O-Pb +mp-865889,YbBe13,-3.6971619925,-0.1148780264,0.0,-0.1148780264,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Yb,,A13B_cF112_226_bi_a:Be-Yb +mp-1209125,RbYbBeF6,-5.394733595,-3.4249081481,0.0197896917,0.0197896917,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Yb,,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Yb +mp-6952,RbYbF3,-5.545737274,-3.894821423,0.0,-0.064617723,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-Rb-Yb,,A3BC_cP5_221_c_a_b:F-Rb-Yb +mp-657176,YbBeF4,-6.0522452279,-3.8980890588,0.1524620917,0.1118967032,GGA,P1,AB4C_aP24_1_4a_16a_4a:Be-F-Yb,,AB4C_aP24_1_4a_16a_4a:Be-F-Yb +mp-1178795,YbBeF4,-6.1095013946,-3.9553452254,0.095205925,0.0546405365,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Be-F-Yb,,"Invalid WP multiplicities - AB4C_aP24_2_2i_15i_4i:Be-F-Yb, expected Yb4Be2F15 to be YbBeF4" +mp-1179031,YbBeF4,-6.0405887858,-3.8864326167,0.1641185338,0.1235531453,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Be-F-Yb,,"Invalid WP multiplicities - AB4C_mP24_14_e_14e_e:Be-F-Yb, expected YbBeF14 to be YbBeF4" +mp-1205303,YbBeF4,-6.2047073196,-4.0505511504,0.0,-0.0405653885,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Be-F-Yb,,AB4C_mP24_14_e_4e_e:Be-F-Yb +mp-1205752,Rb3YbF6,-4.672259957,-3.0772515268,0.0956289215,0.0956289215,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Yb,,A6B3C_cF40_225_e_ac_b:F-Rb-Yb +mp-1192860,Rb2BeF4,-5.2161191293,-3.3094910036,0.0009278825,-0.1443300148,GGA,Pna2_1,AB4C2_oP28_33_a_4a_2a:Be-F-Rb,28.0,AB4C2_oP28_33_a_4a_2a:Be-F-Rb +mp-3009,Rb2BeF4,-5.2170470118,-3.3104188861,0.0,-0.1452578973,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-F-Rb,28.0,AB4C2_oP28_62_c_2cd_2c:Be-F-Rb +mp-1111678,K2LiAuCl6,-3.381222215,-1.5317399429,0.140472081,0.140472081,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Li +mp-2219134,Mg(CuS)6,-4.4739602654,-0.5497895522,0.0533641272,0.0533641272,GGA,P1,A6BC6_aP13_1_6a_a_6a:Cu-Mg-S,13.0,A6BC6_aP13_1_6a_a_6a:Cu-Mg-S +mp-2219131,Mg(CuS)6,-4.4739710208,-0.5498003076,0.0533533718,0.0533533718,GGA,P3m1,A6BC6_hP13_156_3a3b_a_ab4c:Cu-Mg-S,13.0,A6BC6_mC26_8_6a_a_6a:Cu-Mg-S +mp-2227432,Mg(CuS)6,-4.3939225485,-0.4697518353,0.1334018441,0.1334018441,GGA,P3m1,A6BC6_hP13_156_3a3b_c_ab4c:Cu-Mg-S,13.0,A6BC6_hP13_156_3a3b_c_ab4c:Cu-Mg-S +mp-1193963,Mg2SiS4,-5.012553085,-1.4165991425,0.0,-0.02458064,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mg-S-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Mg-S-Si +mp-2224818,Mg(CuS2)2,-4.4062589586,-0.6427599789,0.1491833719,0.1491833719,GGA,Pm,A2BC4_mP7_6_ab_a_2a2b:Cu-Mg-S,7.0,A2BC4_mP7_6_ab_a_2a2b:Cu-Mg-S +mp-2227941,Mg(CuS2)2,-4.37400285,-0.6105038704,0.1814394805,0.1814394805,GGA,Pm,A2BC4_mP7_6_ab_a_2a2b:Cu-Mg-S,7.0,A2BC4_mP7_6_ab_a_2a2b:Cu-Mg-S +mp-2210632,Mg(CuS)2,-4.3486476320000005,-0.7343290073000001,0.1198151986,0.1198151986,GGA,R3m,A2BC2_hR15_160_2a_a_2a:Cu-Mg-S,5.0,A2BC2_hR15_160_2a_a_2a:Cu-Mg-S +mp-2210612,MgCuS,-3.54592701,-0.267281481,0.8510873733000001,0.8510873733000001,GGA,F-43m,ABC_cF12_216_a_c_b:Cu-Mg-S,3.0,ABC_cF12_216_a_c_b:Cu-Mg-S +mp-1205334,MgCu2SiS4,-4.9283391256,-0.9571127647,0.0,-0.005249386,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mg-S-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mg-S-Si +mp-1112499,Cs2TlAuF6,-4.087379735,-2.1977593654,0.1089184803,0.1089184803,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Tl +mp-30308,TlAuF6,-3.8697342216,-1.7315593526000002,0.0,-0.0211258017,GGA,P4_12_12,AB6C_tP64_92_b_2a5b_b:Au-F-Tl,64.0,"Invalid WP multiplicities - AB6C_tP64_92_b_2a7b_b:Au-F-Tl, expected TlAuF8 to be TlAuF6" +mp-1211557,KLa2Ag3Te8,-4.1903138407,-1.0027046755,0.0199307014,0.0199307014,GGA,P4mm,A3BC2D8_tP14_99_ac_b_ab_2a2b2c:Ag-K-La-Te,14.0,"Invalid WP multiplicities - A3BC2D8_tP14_99_ac_b_ab_2a2b4c:Ag-K-La-Te, expected KLa2(AgTe4)3 to be KLa2Ag3Te8" +mp-11739,KLaTe2,-4.78778325,-1.7045287903,0.0,-0.1068852189,GGA,R-3m,ABC2_hR12_166_a_b_c:K-La-Te,4.0,ABC2_hR12_166_a_b_c:K-La-Te +mp-1203532,K4Ag18Te11,-3.1639145762,-0.4365215861,0.0,-0.003012218,GGA,Fm-3m,A18B4C11_cF264_225_hk_abe_cfi:Ag-K-Te,66.0,A18B4C11_cF264_225_hk_abe_cfi:Ag-K-Te +mp-1097055,K5La2,-1.7607124321,0.4427174171,0.4427174171,0.4427174171,GGA,C2/c,A5B2_mC28_15_e2f_f:K-La,14.0,A5B2_mC28_15_e2f_f:K-La +mp-973250,KLa3,-3.55133029,0.4282747755,0.4282747755,0.4282747755,GGA,I4/mmm,AB3_tI8_139_a_bd:K-La,4.0,AB3_tI8_139_a_bd:K-La +mp-1185005,KLa3,-3.5383979225,0.441207143,0.441207143,0.441207143,GGA,Pm-3m,AB3_cP4_221_a_c:K-La,4.0,AB3_cP4_221_a_c:K-La +mp-613306,KAg3Te2,-2.9271665383,-0.2780534144,0.2420766467,0.2191489799,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-K-Te,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_6i_i_4i:Ag-K-Te, expected K(Ag3Te2)2 to be KAg3Te2" +mp-1205342,KAg3Te2,-3.169243185,-0.5201300611,0.0,-0.0229276668,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-K-Te,12.0,A3BC2_mC24_12_3i_i_2i:Ag-K-Te +mp-571425,Ag2Hg7(P4Br3)2,-3.0088021213,-0.3820427911,0.0111726543,0.0111726543,GGA,C2/m,A2B6C7D8_mC46_12_f_ij_aij_2ij:Ag-Br-Hg-P,23.0,"Invalid WP multiplicities - A2B6C7D8_mC46_12_e_i2j_a2i3j_4i3j:Ag-Br-Hg-P, expected Ag2Hg17(P2Br)10 to be Ag2Hg7(P4Br3)2" +mp-28874,Hg2P3Br,-3.3087319579,-0.2420158613,0.0026680104,0.0026680104,GGA,Pbcn,AB2C3_oP24_60_c_d_cd:Br-Hg-P,24.0,"Invalid WP multiplicities - AB2C3_oP24_60_c_d_c2d:Br-Hg-P, expected Hg2P5Br to be Hg2P3Br" +mp-541403,Hg7(P2Br3)2,-2.4407480832,-0.4938573443,0.0242967369,0.0242967369,GGA,P2_1/c,A6B7C4_mP34_14_3e_a3e_2e:Br-Hg-P,34.0,A6B7C4_mP34_14_3e_a3e_2e:Br-Hg-P +mp-1229184,Ag2Hg3P4Br3,-3.1074993771,-0.3667953672,0.010927525,0.010927525,GGA,C2,A2B3C3D4_mC48_5_2c_3c_3c_4c:Ag-Br-Hg-P,24.0,"Invalid WP multiplicities - A2B3C3D4_mC48_5_2c_6c_6c_7c:Ag-Br-Hg-P, expected Ag2Hg6P7Br6 to be Ag2Hg3P4Br3" +mp-1209225,RbNdF4,-6.18913452,-3.9567016242,0.0,-0.0084781508,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-Nd-Rb,24.0,A4BC_oP24_62_4c_c_c:F-Nd-Rb +mp-1206108,Rb3NdF6,-5.352665005,-3.4348026595,0.089033705,0.089033705,GGA,I4/mmm,A6BC3_tI20_139_ei_a_bd:F-Nd-Rb,10.0,A6BC3_tI20_139_ei_a_bd:F-Nd-Rb +mp-1206106,Rb3NdF6,-5.381042317,-3.4631799715,0.060656393,0.060656393,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Nd-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Nd-Rb +mp-1110789,Rb2NdAgF6,-5.236339641,-3.1332751024,0.0650183485,0.0650183485,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Nd-Rb +mp-1206440,Cs2LiCrF6,-5.600831875,-3.1186669864,0.0,-0.0558804528,GGA+U,P-3m1,AB2C6D_hP10_164_a_d_i_b:Cr-Cs-F-Li,10.0,AB2C6D_hP10_164_a_d_i_b:Cr-Cs-F-Li +mp-1226357,Cs2LiCr3F12,-6.2034171094,-3.11471613,0.0,-0.0143549187,GGA+U,R-3m,A3B2C12D_hR54_166_d_c_2h_a:Cr-Cs-F-Li,18.0,"Invalid WP multiplicities - A3B2C12D_hR54_166_d_c_9h_a:Cr-Cs-F-Li, expected Cs2LiCr3F54 to be Cs2LiCr3F12" +mp-1110821,Rb2AgBiI6,-2.822731525,-1.0753003872,0.0489025824,0.0489025824,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-I-Rb +mp-685283,Ag13Bi15I64,-2.6446067539,-0.5932370649,0.0807887145,0.0807887145,GGA,P1,A13B15C64_aP92_1_13a_15a_64a:Ag-Bi-I,92.0,A13B15C64_aP92_1_13a_15a_64a:Ag-Bi-I +mp-686119,Ag13(BiI4)14,-2.7564585143,-0.6709333160000001,0.0356897883,0.0356897883,GGA,P-1,A13B14C56_aP83_2_c6i_ab6i_28i:Ag-Bi-I,83.0,"Invalid WP multiplicities - A13B14C56_aP83_2_c11i_ab12i_56i:Ag-Bi-I, expected Ag23(Bi13I56)2 to be Ag13(BiI4)14" +mp-35909,AgBiI4,-2.7634397142,-0.6690212919,0.0407730867,0.0407730867,GGA,Imma,ABC4_oI24_74_a_c_hi:Ag-Bi-I,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_c_2h3i:Ag-Bi-I, expected AgBiI10 to be AgBiI4" +mp-23399,Rb2AgI3,-2.8530704396,-1.3174499065,0.0,-0.0047117463,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-I-Rb,24.0,AB3C2_oP24_62_c_3c_2c:Ag-I-Rb +mp-676391,RbAg4I5,-2.6225634907,-0.6548045072,0.0875375841,0.0875375841,GGA,P1,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb,40.0,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb +mp-676687,RbAg4I5,-2.6464037482,-0.6786447647,0.0636973266,0.0636973266,GGA,P1,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb,40.0,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb +mp-676813,RbAg4I5,-2.6660201207,-0.6982611372,0.0440809541,0.0440809541,GGA,P1,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb,40.0,A4B5C_aP40_1_16a_20a_4a:Ag-I-Rb +mp-685512,Ag15Bi7I40,-2.5541479848,-0.4846896306,0.1253126086,0.1253126086,GGA,Cm,A15B7C40_mC124_8_15a_7a_40a:Ag-Bi-I,62.0,A15B7C40_mC124_8_15a_7a_40a:Ag-Bi-I +mp-686149,Ag15(BiI4)16,-2.7564228256,-0.6697742726,0.0372494137,0.0372494137,GGA,P-1,A15B16C64_aP95_2_adg6i_be7i_32i:Ag-Bi-I,95.0,"Invalid WP multiplicities - A15B16C64_aP95_2_adg11i_be14i_64i:Ag-Bi-I, expected Ag25(Bi15I64)2 to be Ag15(BiI4)16" +mp-1112623,Cs2KGaBr6,-3.280937287,-1.7561903176,0.0789174018,0.0789174018,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-K,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Ga-K +mp-4917,LaAsO4,-7.7341905137,-2.8372104546,0.0058088946,-0.3118106055,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-La-O,24.0,ABC4_mP24_14_e_e_4e:As-La-O +mp-1095309,LaAsO4,-7.7241933083,-2.8272132492,0.0158061,-0.3018134001,GGA,I4_1/a,ABC4_tI24_88_a_b_f:As-La-O,12.0,ABC4_tI24_88_a_b_f:As-La-O +mp-772261,LaAsO4,-7.7399994083,-2.8430193492,0.0,-0.3176195001,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-La-O,12.0,ABC4_tI24_141_a_b_h:As-La-O +mp-1079050,LaAsO3,-7.753694633,-2.8666563043,0.0,-0.0447010783,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:As-La-O,10.0,ABC3_mP10_11_e_e_ef:As-La-O +mp-1211477,La3AsBr3,-5.4213154939,-1.9747119639,0.0,-0.0933875942,GGA,I4_132,AB3C3_cI56_214_a_h_g:As-Br-La,28.0,AB3C3_cI56_214_a_h_g:As-Br-La +mp-1211567,La4AsBrO8,-8.0606490021,-3.3799572275,0.0,-0.0404275849,GGA,P4_2/m,ABC4D8_tP56_84_j_j_2k_efi2j2k:As-Br-La-O,56.0,ABC4D8_tP56_84_j_j_2k_efi2j2k:As-Br-La-O +mp-1203678,La3As2BrO7,-7.6781927704,-3.0392614293,0.0,-0.0402360769,GGA,P4_2/mnm,A2BC3D7_tP52_136_i_f_gi_dik:As-Br-La-O,52.0,A2BC3D7_tP52_136_i_f_gi_dik:As-Br-La-O +mp-1104579,Ce2H5,-4.7582704114,-0.6397263350000001,0.0,-0.0150596243,GGA,I4_1/amd,A2B5_tI28_141_e_af:Ce-H,14.0,A2B5_tI28_141_e_af:Ce-H +mp-1205715,CeCo5H4,-5.720572953,-0.216014722,0.042311002,0.042311002,GGA,Cmmm,AB5C4_oC20_65_a_cfg_eh:Ce-Co-H,10.0,AB5C4_oC20_65_a_cfg_eh:Ce-Co-H +mp-1184556,Ge3H,-3.776073545,0.5393788575,0.5511153061,0.5511153061,GGA,Fm-3m,A3B_cF16_225_ac_b:Ge-H,4.0,A3B_cF16_225_ac_b:Ge-H +mp-1213920,Ce2Co17H3,-6.6348889834,-0.140081758,0.0113928625,0.0113928625,GGA,P6_3/mmc,A2B17C3_hP44_194_bc_fgjk_h:Ce-Co-H,44.0,A2B17C3_hP44_194_bc_fgjk_h:Ce-Co-H +mp-505569,CeH2,-4.86448579,-0.6249720417,0.0,-0.027894129,GGA,Fm-3m,AB2_cF12_225_a_c:Ce-H,3.0,AB2_cF12_225_a_c:Ce-H +mp-1183713,CeH3,-4.6293968075,-0.601579985,0.00306158,-0.0160694428,GGA,I4/mmm,AB3_tI8_139_a_bd:Ce-H,4.0,AB3_tI8_139_a_bd:Ce-H +mp-1008376,CeH3,-4.6324583875,-0.604641565,0.0,-0.0191310228,GGA,Fm-3m,AB3_cF16_225_a_bc:Ce-H,4.0,AB3_cF16_225_a_bc:Ce-H +mp-644499,CeCoGeH,-5.927938735,-0.6636485225000001,0.0,-0.060831968,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:Ce-Co-Ge-H,8.0,ABCD_tP8_129_c_a_c_b:Ce-Co-Ge-H +mp-1226890,Ce4H11,-4.694700786,-0.6245445783,0.0,-0.0035301207,GGA,I4/mmm,A4B11_tI30_139_ce_adm:Ce-H,15.0,"Invalid WP multiplicities - A4B11_tI30_139_2c2e_a2dm:Ce-H, expected Ce8H13 to be Ce4H11" +mp-1213839,CeCo5H3,-5.9460768094,-0.2068705578,0.0618590267,0.0618590267,GGA,Cccm,AB5C3_oC36_66_c_bkl_eg:Ce-Co-H,18.0,AB5C3_oC36_66_c_bkl_eg:Ce-Co-H +mp-1205379,GeH4,-3.6683379325,-0.0295515255,0.00800511,-0.0295515255,GGA,P2/c,AB4_mP20_13_g_4g:Ge-H,20.0,AB4_mP20_13_g_4g:Ge-H +mp-1078667,GeH4,-3.526095699,0.112690708,0.1502473435,0.112690708,GGA,C2/c,AB4_mC20_15_e_2f:Ge-H,10.0,AB4_mC20_15_e_2f:Ge-H +mp-1181222,GeH4,-3.6763430425,-0.0375566355,0.0,-0.0375566355,GGA,P2_12_12_1,AB4_oP20_19_a_4a:Ge-H,20.0,AB4_oP20_19_a_4a:Ge-H +mp-1080617,GeH4,-3.453189513,0.185596894,0.2231535295,0.185596894,GGA,Pmma,AB4_oP10_51_e_2k:Ge-H,10.0,"Invalid WP multiplicities - AB4_oP10_51_e_3k:Ge-H, expected GeH6 to be GeH4" +mp-1078573,GeH4,-3.456058477,0.18272793,0.2202845655,0.18272793,GGA,Cmcm,AB4_oC20_63_c_2cf:Ge-H,10.0,AB4_oC20_63_c_2cf:Ge-H +mp-1070127,GeH4,-3.307161966,0.331624441,0.3691810765,0.331624441,GGA,Cmmm,AB4_oC10_65_a_eh:Ge-H,5.0,AB4_oC10_65_a_eh:Ge-H +mp-1221963,MgBeB,-3.58860897,0.4177525919,0.4861305401,0.4861305401,GGA,F-43m,ABC_cF12_216_c_a_b:B-Be-Mg,3.0,ABC_cF12_216_c_a_b:B-Be-Mg +mp-631564,MgBe2B,-3.2530767475,0.6865476402,0.7379149054,0.7379149054,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Be-Mg,4.0,AB2C_cF16_216_a_bc_d:B-Be-Mg +mp-1105674,Mg2BeB2Ir5,-6.969517187,-0.5204244463000001,0.0,-0.1254923948,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Be-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Be-Ir-Mg +mp-1095722,BeBIr2,-4.063457905,2.960460344,3.2145271467,3.2145271467,GGA,Immm,ABC2_oI8_71_a_b_e:B-Be-Ir,4.0,ABC2_oI8_71_a_b_e:B-Be-Ir +mp-975405,RbAuO3,-4.343844862,-0.5249484208,0.3845454272,0.3845454272,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-O-Rb,5.0,AB3C_cP5_221_b_c_a:Au-O-Rb +mp-510076,Rb7Au5O2,-3.0604295414,-0.6942491179,0.0,-0.0029815925,GGA,Immm,A5B2C7_oI28_71_agh_e_bfn:Au-O-Rb,14.0,"Invalid WP multiplicities - A5B2C7_oI28_71_a2g2h_e_b2f2n:Au-O-Rb, expected Rb13Au9O2 to be Rb7Au5O2" +mp-10547,RbAuO,-4.135414735,-1.0683798071,0.0,-0.1399251362,GGA,I4/mmm,ABC_tI24_139_h_i_j:Au-O-Rb,12.0,ABC_tI24_139_h_i_j:Au-O-Rb +mp-559824,Au2Se3O10,-5.3403982087,-0.906905839,0.0,-0.0277940082,GGA,Cmc2_1,A2B10C3_oC60_36_b_2a4b_ab:Au-O-Se,30.0,"Invalid WP multiplicities - A2B10C3_oC60_36_b_4a15b_2a2b:Au-O-Se, expected AuSe3O17 to be Au2Se3O10" +mp-9385,RbAu3Se2,-3.5744437,-0.6087765287,0.0,-0.0430463667,GGA,P-3m1,A3BC2_hP6_164_e_b_d:Au-Rb-Se,6.0,A3BC2_hP6_164_e_b_d:Au-Rb-Se +mp-29920,Rb5Au3O2,-3.3200175565,-0.8582481780000001,0.0,-0.0419779537,GGA,Pbam,A3B2C5_oP20_55_ah_g_cgh:Au-O-Rb,20.0,"Invalid WP multiplicities - A3B2C5_oP20_55_ah_g_cg2h:Au-O-Rb, expected Rb7Au3O2 to be Rb5Au3O2" +mp-27441,Au2Se4O11,-5.3978153568,-0.9892867842,0.0,-0.0200730515,GGA,C2/c,A2B11C4_mC68_15_ac_e5f_2f:Au-O-Se,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_ac_e6f_2f:Au-O-Se, expected Au2Se4O13 to be Au2Se4O11" +mp-557122,RbAu(SeO4)2,-5.39988014,-1.1649010802,0.0,-0.0427561537,GGA,C2/m,AB8CD2_mC24_12_a_2ij_d_i:Au-O-Rb-Se,12.0,"Invalid WP multiplicities - AB8CD2_mC24_12_a_4ij_d_i:Au-O-Rb-Se, expected RbAu(SeO6)2 to be RbAu(SeO4)2" +mp-28095,Au2Se2O7,-5.2466446155,-0.8678802578,0.0007997052,0.0007997052,GGA,Pba2,A2B7C2_oP22_32_c_a3c_c:Au-O-Se,22.0,"Invalid WP multiplicities - A2B7C2_oP22_32_c_a4c_c:Au-O-Se, expected Au2Se2O9 to be Au2Se2O7" +mp-7472,RbAuO2,-4.6738156838,-1.13686731,0.0,-0.2495096565,GGA,Cmcm,AB2C_oC16_63_c_f_c:Au-O-Rb,8.0,AB2C_oC16_63_c_f_c:Au-O-Rb +mp-4405,Rb3AuO,-3.048704132,-0.8162695462,0.0,-0.0057144374,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Au-O-Rb,5.0,ABC3_cP5_221_a_b_c:Au-O-Rb +mp-9731,RbAuSe,-3.4903249183,-0.9068824016,0.0,-0.0986020328,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-Rb-Se,6.0,ABC_oC12_63_a_c_c:Au-Rb-Se +mp-28743,K4Cu8Te11,-3.6792866802,-0.5570425944,0.0092989479,0.0092989479,GGA,C2/m,A8B4C11_mC92_12_4j_4i_7i2j:Cu-K-Te,46.0,A8B4C11_mC92_12_4j_4i_7i2j:Cu-K-Te +mp-12535,K2ZnTe2,-2.997599203,-1.0441685449,0.0,-0.071688561,GGA,Ibam,A2B2C_oI20_72_j_j_a:K-Te-Zn,10.0,A2B2C_oI20_72_j_j_a:K-Te-Zn +mp-569136,K3Cu11Te16,-3.7412844303,-0.4507722802,0.0,-0.0037065296,GGA,Imma,A11B3C16_oI120_74_eg2j_ai_f2hi2j:Cu-K-Te,60.0,"Invalid WP multiplicities - A11B3C16_oI120_74_2e3g12j_2a3i_4f8h3i13j:Cu-K-Te, expected K4Cu28Te41 to be K3Cu11Te16" +mp-7436,KCuTe,-3.514691195,-0.7303873582,0.0,-0.0203298788,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-K-Te,6.0,ABC_hP6_194_c_a_d:Cu-K-Te +mp-541622,KCu3Te2,-3.7373064325,-0.4548679752,0.031260915,0.031260915,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Cu-K-Te,12.0,A3BC2_mC24_12_3i_i_2i:Cu-K-Te +mp-1223207,KZnCuTe2,-3.234905964,-0.6837137613000001,0.0428691501,0.0428691501,GGA,I-4m2,ABC2D_tI10_119_a_c_f_b:Cu-K-Te-Zn,5.0,ABC2D_tI10_119_a_c_f_b:Cu-K-Te-Zn +mp-29828,K2Cu2Te5,-3.5494674867,-0.6454962977,0.0106104915,0.0106104915,GGA,Cmcm,A2B2C5_oC36_63_g_e_cfg:Cu-K-Te,18.0,"Invalid WP multiplicities - A2B2C5_oC36_63_g_e_c2f2g:Cu-K-Te, expected K2Cu2Te9 to be K2Cu2Te5" +mp-28737,K2(CuTe)5,-3.749376555,-0.5465964958,0.0,-0.0368552677,GGA,Cmcm,A5B2C5_oC48_63_c2f_f_c2f:Cu-K-Te,24.0,A5B2C5_oC48_63_c2f_f_c2f:Cu-K-Te +mp-18125,Ag(AuF4)2,-3.6283016786,-1.3853787929,0.0,-0.0321753233,GGA,P2_1/c,AB2C8_mP22_14_a_e_4e:Ag-Au-F,22.0,"Invalid WP multiplicities - AB2C8_mP22_14_a_e_5e:Ag-Au-F, expected Ag(AuF5)2 to be Ag(AuF4)2" +mp-1110612,Rb2AgAuF6,-3.985113903,-2.0314759077,0.0547965288,0.0547965288,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-Rb +mp-16060,AgAuF4,-3.6977902675,-1.4057312886,0.0,-0.07908542,GGA,I4/mcm,ABC4_tI24_140_a_d_l:Ag-Au-F,12.0,ABC4_tI24_140_a_d_l:Ag-Au-F +mp-1196161,AgAuF7,-3.4811730392,-1.3159740641,0.0,-0.0568968723,GGA,Pnma,ABC7_oP36_62_c_c_3c2d:Ag-Au-F,36.0,ABC7_oP36_62_c_c_3c2d:Ag-Au-F +mp-1205409,Eu3(AlP2)2,-7.6804197867,-1.023156777,0.0,-0.1820950811,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Al-Eu-P,18.0,A2B3C4_mC36_15_f_ef_2f:Al-Eu-P +mp-1025271,AlPPt5,-6.2463695429,-0.6014345519000001,0.0,-0.0277396175,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Al-P-Pt,7.0,ABC5_tP7_123_c_b_ai:Al-P-Pt +mp-1225411,Eu2AlP3Pt7,-7.3168016992,-0.9323847615,0.0,-0.0257121937,GGA,I-4m2,AB2C3D7_tI26_119_a_e_ce_be2f:Al-Eu-P-Pt,13.0,"Invalid WP multiplicities - AB2C3D7_tI26_119_a_e_ce_be3f:Al-Eu-P-Pt, expected Eu2Al(PPt3)3 to be Eu2AlP3Pt7" +mp-1218196,SrMg3O4,-6.0955405075,-2.8109044515,0.2490575212,0.2490575212,GGA,P4/mmm,A3B4C_tP8_123_ah_cdg_b:Mg-O-Sr,8.0,"Invalid WP multiplicities - A3B4C_tP8_123_a2h_cd2g_b:Mg-O-Sr, expected SrMg5O6 to be SrMg3O4" +mp-1218205,SrMg3O4,-5.5372334862,-2.2525974302,0.8073645425,0.8073645425,GGA,P4/mmm,A3B4C_tP8_123_ag_2h_b:Mg-O-Sr,8.0,"Invalid WP multiplicities - A3B4C_tP8_123_a2g_3h_b:Mg-O-Sr, expected SrMg5O6 to be SrMg3O4" +mp-1024034,SrMg3O4,-6.0020816675,-2.7174456115,0.3425163612,0.3425163612,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Sr,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Sr, expected SrMg3O7 to be SrMg3O4" +mp-971707,Tm2Mg2O5,-7.2628697322,-3.1644614541,0.4670579581,0.4670579581,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Mg-O-Tm,9.0,A2B5C2_tP9_123_h_ci_ab:Mg-O-Tm +mp-1234297,Sr4Tm8MgO16,-7.7830528128,-3.5309163772,0.1485614012,0.1485614012,GGA,Pm,AB16C4D8_mP29_6_a_8a8b_2a2b_4a4b:Mg-O-Sr-Tm,29.0,AB16C4D8_mP29_6_a_8a8b_2a2b_4a4b:Mg-O-Sr-Tm +mp-1187182,SrMgO3,-5.950681476,-2.3247135486,0.220685896,0.220685896,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Sr,5.0,AB3C_cP5_221_b_c_a:Mg-O-Sr +mp-1218187,SrMgO2,-5.5431542375,-2.247366506,0.81851714,0.81851714,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Mg-O-Sr,4.0,AB2C_tP4_123_a_e_c:Mg-O-Sr +mp-1218182,SrMgO2,-6.162083935,-2.8662962035,0.1995874425,0.1995874425,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-O-Sr,4.0,AB2C_hR12_166_a_c_b:Mg-O-Sr +mp-1218374,Sr3MgO4,-6.2101252,-2.9031857931,0.1686195262,0.1686195262,GGA,Pmmm,AB4C3_oP8_47_a_cdk_bl:Mg-O-Sr,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_cd2k_b2l:Mg-O-Sr, expected Sr5MgO6 to be Sr3MgO4" +mp-1218584,Sr3MgO4,-5.92130222,-2.6143628131,0.4574425062,0.4574425062,GGA,Cmmm,AB4C3_oC16_65_a_eh_bj:Mg-O-Sr,8.0,"Invalid WP multiplicities - AB4C3_oC16_65_a_2e2h_b2j:Mg-O-Sr, expected Sr5MgO8 to be Sr3MgO4" +mp-556843,NdAsO4,-7.6502894396,-2.7812859925,0.0219668271,-0.2944677079,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Nd-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_12e:As-Nd-O, expected NdAsO12 to be NdAsO4" +mp-1095216,NdAsO4,-7.6546809125,-2.7856774654,0.0175753542,-0.2988591808,GGA,I4_1/a,ABC4_tI24_88_a_b_f:As-Nd-O,12.0,ABC4_tI24_88_a_b_f:As-Nd-O +mp-755357,NdAsO4,-7.6722562667,-2.8032528196,0.0,-0.316434535,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Nd-O,12.0,ABC4_tI24_141_a_b_h:As-Nd-O +mp-1209977,NdAsO2,-6.8035568456,-1.9733960306,0.7641197203000001,0.7641197203000001,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:As-Nd-O,16.0,ABC2_tI32_141_c_d_h:As-Nd-O +mp-8128,NaNdO2,-6.9893353688,-2.9933228316,0.0,-0.0897687178,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Na-Nd-O,8.0,ABC2_tI16_141_a_b_e:Na-Nd-O +mp-1210809,Na3Nd(AsO4)2,-6.4799376837,-2.3636898399,0.0110981081,0.0110981081,GGA,Pca2_1,A2B3CD8_oP112_29_4a_6a_2a_16a:As-Na-Nd-O,112.0,A2B3CD8_oP112_29_4a_6a_2a_16a:As-Na-Nd-O +mp-1210302,Na3Nd(AsO4)2,-6.395432485,-2.2791846412,0.0956033068,0.0956033068,GGA,P-3m1,A2B3CD8_hP14_164_d_ad_b_di:As-Na-Nd-O,14.0,A2B3CD8_hP14_164_d_ad_b_di:As-Na-Nd-O +mp-555063,Nd2As4O9,-7.302396999,-2.4561992066,0.0,-0.0325027368,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:As-Nd-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_5i_4i_18i:As-Nd-O, expected Nd4As5O18 to be Nd2As4O9" +mp-1178467,Cs2CeO3,-6.3737299312,-2.6130699258,0.0620678871,-0.0538872229,GGA,P2_1,AB2C3_mP24_4_2a_4a_6a:Ce-Cs-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_64_f_7f_3e7f:Ce-Cs-O, expected Cs7CeO10 to be Cs2CeO3" +mp-768223,Cs2CeO3,-6.4357978183,-2.6751378129,0.0,-0.11595511,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ce-Cs-O,12.0,"Invalid WP multiplicities - AB2C3_oC24_36_a_b_a2b:Ce-Cs-O, expected Cs2CeO5 to be Cs2CeO3" +mp-770996,Cs2CeO3,-6.3707709004,-2.6101108949,0.0650269179,-0.0509281921,GGA,Cmc2_1,AB2C3_oC48_36_2a_4a_4ab:Ce-Cs-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_64_f_7f_3e7f:Ce-Cs-O, expected Cs7CeO10 to be Cs2CeO3" +mp-1178415,Cs2CeO3,-6.3731477804,-2.6124877749,0.0626500379,-0.0533050721,GGA,Cmce,AB2C3_oC48_64_f_2f_e2f:Ce-Cs-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_64_f_7f_3e7f:Ce-Cs-O, expected Cs7CeO10 to be Cs2CeO3" +mp-1024038,CeMg3O4,-6.4514059738,-2.636320455,0.4629092687,0.4629092687,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Ce-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Ce-Mg-O, expected CeMg3O7 to be CeMg3O4" +mp-1099115,CsCeMg14,-1.6368162987,0.1902094654,0.1972916926,0.1972916926,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Cs-Mg, expected CsCeMg18 to be CsCeMg14" +mp-1026747,CsCeMg14,-1.6298078719,0.1972178923,0.2043001195,0.2043001195,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Cs-Mg, expected CsCeMg26 to be CsCeMg14" +mp-1040090,CsCeMg30O32,-6.2026032844,-2.8724324752,0.1763064271,0.1763064271,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ce-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ce-Cs-Mg-O, expected CsCeMg90O80 to be CsCeMg30O32" +mp-1039964,CsCeMg30O32,-6.2166355241,-2.8864647149,0.1622741874,0.1622741874,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ce-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ce-Cs-Mg-O, expected CsCeMg110O72 to be CsCeMg30O32" +mp-1034672,CsCeMg14O16,-6.0505822206,-2.6637249829,0.3797125222,0.3797125222,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ce-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ce-Cs-Mg-O, expected CsCeMg18O20 to be CsCeMg14O16" +mp-1034728,CsCeMg14O16,-6.0742608644,-2.6874036267,0.3560338785,0.3560338785,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ce-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ce-Cs-Mg-O, expected CsCeMg30O32 to be CsCeMg14O16" +mp-1031196,CsCeMg6O8,-5.9191771087,-2.4189470139,0.613887697,0.613887697,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ce-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ce-Cs-Mg-O, expected CsCeMg6O12 to be CsCeMg6O8" +mp-557809,SbSCl9,-3.232821945,-0.9689782135,0.0,-0.0467314171,GGA,C2/m,A9BC_mC44_12_g4i2j_i_ad:Cl-S-Sb,22.0,"Invalid WP multiplicities - A9BC_mC44_12_2g8i7j_i_ac:Cl-S-Sb, expected SbSCl24 to be SbSCl9" +mp-28772,SbSCl9,-3.2204200136,-0.9565762821,0.0124019314,-0.0343294858,GGA,R-3m,A9BC_hR66_166_3h_c_ab:Cl-S-Sb,22.0,A9BC_hR66_166_3h_c_ab:Cl-S-Sb +mp-29573,Sb4S5Cl2,-4.4515269916,-0.7337699357,0.0059818939,0.0059818939,GGA,Pnma,A2B5C4_oP44_62_2c_c2d_2cd:Cl-S-Sb,44.0,"Invalid WP multiplicities - A2B5C4_oP44_62_5c_c7d_2cd:Cl-S-Sb, expected Sb4(S3Cl)5 to be Sb4S5Cl2" +mp-1196451,Ga3Sb7(S4Cl7)2,-4.1507992931,-1.1208490143,0.0,-0.0178661811,GGA,P2_1,A14B3C8D7_mP64_4_14a_3a_8a_7a:Cl-Ga-S-Sb,64.0,A14B3C8D7_mP64_4_14a_3a_8a_7a:Cl-Ga-S-Sb +mp-28064,SbS8Cl3,-4.3428886896,-0.7790378433,0.0,-0.3359467717,GGA,P-1,A3B8C_aP24_2_3i_8i_i:Cl-S-Sb,24.0,A3B8C_aP24_2_3i_8i_i:Cl-S-Sb +mp-1017195,HfMg6Cd,-2.4962635412,0.063956345,0.1157068288,0.1157068288,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Hf-Mg, expected HfMg12Cd to be HfMg6Cd" +mp-1017200,HfMg6Cd,-2.4943466231,0.0658732631,0.1176237469,0.1176237469,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Hf-Mg, expected HfMg12Cd to be HfMg6Cd" +mp-1099255,Mg3CdO4,-5.6919497725,-2.5031391781,0.1287279738,0.1287279738,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Cd-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Cd-Mg-O, expected Mg3CdO7 to be Mg3CdO4" +mp-1099258,HfMg3O4,-6.9590654638,-2.6409674606,0.4034363708,0.4034363708,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Hf-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Hf-Mg-O, expected HfMg3O7 to be HfMg3O4" +mp-1016825,HfMgO3,-8.324014238,-3.0445071952,0.5895044665,0.5895044665,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Hf-Mg-O,5.0,ABC3_cP5_221_b_a_c:Hf-Mg-O +mp-1033269,HfMg6CdO8,-6.3575513669,-2.6040970681,0.4403067633,0.4403067633,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cd-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cd-Hf-Mg-O, expected HfMg6CdO12 to be HfMg6CdO8" +mp-1033306,HfMg6CdO8,-6.3536285712,-2.6001742725,0.4442295589,0.4442295589,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cd-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cd-Hf-Mg-O, expected HfMg6CdO12 to be HfMg6CdO8" +mp-1212404,HfCdO3,-8.087934109,-2.9439051242,0.0146295015,0.0146295015,GGA,Pnma,ABC3_oP20_62_c_a_cd:Cd-Hf-O,20.0,ABC3_oP20_62_c_a_cd:Cd-Hf-O +mp-1017446,HfCdO3,-7.822235606,-2.6782066212,0.2803280045,0.2803280045,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cd-Hf-O,5.0,ABC3_cP5_221_a_b_c:Cd-Hf-O +mp-1033692,HfMg14CdO16,-6.3336154091,-2.8201460694,0.229075996,0.229075996,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cd-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cd-Hf-Mg-O, expected HfMg18CdO20 to be HfMg14CdO16" +mp-1033680,HfMg14CdO16,-6.3359282753,-2.8224589356000003,0.2267631298,0.2267631298,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cd-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cd-Hf-Mg-O, expected HfMg30CdO32 to be HfMg14CdO16" +mp-1038514,HfMg30CdO32,-6.3304792106,-2.9370023505,0.1146288319,0.1146288319,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cd-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cd-Hf-Mg-O, expected HfMg90CdO80 to be HfMg30CdO32" +mp-1038443,HfMg30CdO32,-6.3313099323,-2.9378330722,0.1137981102,0.1137981102,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cd-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cd-Hf-Mg-O, expected HfMg110CdO72 to be HfMg30CdO32" +mp-1026428,HfMg14Cd,-2.05416786,0.0260821081,0.0657641417,0.0657641417,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Hf-Mg, expected HfMg18Cd to be HfMg14Cd" +mp-1026440,HfMg14Cd,-2.0569187306,0.0233312375,0.0630132711,0.0630132711,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Hf-Mg, expected HfMg26Cd to be HfMg14Cd" +mp-5928,Al2CdS4,-4.8207439429,-1.2550523875,0.0,-0.032280854,GGA,I-4,A2BC4_tI14_82_ac_b_g:Al-Cd-S,7.0,A2BC4_tI14_82_ac_b_g:Al-Cd-S +mp-9993,Al2CdS4,-4.7998607236,-1.2341691682,0.0208832193,-0.0113976348,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Cd-S,14.0,A2BC4_cF56_227_c_b_e:Al-Cd-S +mp-1191443,La3AlCdS7,-6.0232368163,-1.9872671518,0.0268846809,0.0268846809,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-La-S +mp-36395,La2CdS4,-5.84976401,-1.9439492332,0.0902656521,0.0902656521,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-La-S,14.0,AB2C4_tI28_122_a_d_e:Cd-La-S +mp-1223592,La9Al5S21,-6.4175036644,-2.131292513,0.0,-0.0426492911,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-La-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-La-S, expected La24Al5S51 to be La9Al5S21" +mp-561455,Ba8Sb6S17,-5.0913334342,-1.5285768311,0.0,-0.0175546957,GGA,P2/c,A8B17C6_mP124_13_3ef6g_17g_6g:Ba-S-Sb,124.0,"Invalid WP multiplicities - A8B17C6_mP124_13_2e5f20g_66g_22g:Ba-S-Sb, expected Ba47(SbS3)44 to be Ba8Sb6S17" +mp-20767,Fe(SbS2)2,-5.249363385,-0.4959600768,0.1387975199,0.1387975199,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Fe-S-Sb,28.0,AB4C2_oP28_62_c_4c_2c:Fe-S-Sb +mp-1195624,Ba3Sb2S7,-5.0974842783,-1.516644581,0.0,-0.026933623,GGA,C2/c,A3B7C2_mC96_15_3f_7f_2f:Ba-S-Sb,48.0,A3B7C2_mC96_15_3f_7f_2f:Ba-S-Sb +mp-27904,FeSbS,-6.1720634975,-0.5935727252,0.0,-0.0682175183,GGA,P2_1/c,ABC_mP12_14_e_e_e:Fe-S-Sb,12.0,ABC_mP12_14_e_e_e:Fe-S-Sb +mp-1189647,Ba(FeSb3)4,-5.3352521235,-0.3148359671,0.0,-0.0302653481,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ba-Fe-Sb,17.0,AB4C12_cI34_204_a_c_g:Ba-Fe-Sb +mp-28129,Ba(SbS2)2,-4.9385535902,-1.1210140348,0.0,-0.028808563,GGA,P2_1/c,AB4C2_mP56_14_2e_8e_4e:Ba-S-Sb,56.0,AB4C2_mP56_14_2e_8e_4e:Ba-S-Sb +mp-1199946,Ba2FeSbS5,-5.5557583811,-1.4314004184,0.0196139029,0.0196139029,GGA,Pnma,A2BC5D_oP36_62_d_c_3cd_c:Ba-Fe-S-Sb,36.0,A2BC5D_oP36_62_d_c_3cd_c:Ba-Fe-S-Sb +mp-572788,LaFe12O19,-8.0523176925,-1.7847130944,0.0886315895,0.0886315895,GGA+U,Cmcm,A12BC19_oC128_63_ac3fh_c_c4fg2h:Fe-La-O,64.0,"Invalid WP multiplicities - A12BC19_oC128_63_2ac10f6h_c_c16f4g15h:Fe-La-O, expected LaFe47O101 to be LaFe12O19" +mp-574915,LaFe12O19,-8.0525131844,-1.7849085863,0.0884360977,0.0884360977,GGA+U,P6_3/mmc,A12BC19_hP64_194_ab2fk_c_efh2k:Fe-La-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_194_a2b6f6k_c_4e4f6h17k:Fe-La-O, expected La(Fe3O8)17 to be LaFe12O19" +mp-1180667,La3FeO6,-8.654984572,-3.3591670927,0.0051307336,0.0051307336,GGA+U,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Fe-La-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Fe-La-O +mp-605340,LaFeO3,-8.2110151845,-2.5617962948,0.2918928855,0.2469333435,GGA+U,Pmn2_1,ABC3_oP20_31_2a_b_2a2b:Fe-La-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_2c3d:Fe-La-O, expected LaFeO8 to be LaFeO3" +mp-22590,LaFeO3,-8.475136048,-2.8259171583,0.027772022,-0.01718752,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-La-O,20.0,ABC3_oP20_62_a_c_cd:Fe-La-O +mp-1181002,LaFeO3,-8.3961604495,-2.7469415598,0.1067476205,0.0617880785,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Fe-La-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_2c3d:Fe-La-O, expected LaFeO8 to be LaFeO3" +mp-1078634,LaFeO3,-8.50290807,-2.8536891802,0.0,-0.044959542,GGA+U,R-3c,ABC3_hR30_167_b_a_e:Fe-La-O,10.0,ABC3_hR30_167_b_a_e:Fe-La-O +mp-552676,LaFeO3,-8.372899576,-2.7236806863,0.130008494,0.085048952,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Fe-La-O,5.0,ABC3_cP5_221_b_a_c:Fe-La-O +mp-1212003,La3Fe5O12,-8.3533787416,-2.5274591466,0.0397714209,0.0397714209,GGA+U,Ia-3d,A5B3C12_cI160_230_ad_c_h:Fe-La-O,80.0,A5B3C12_cI160_230_ad_c_h:Fe-La-O +mp-1639105,CdFeO3,-6.156007203,-1.3094117822,0.0998138501,0.0998138501,GGA+U,P2_1/m,ABC3_mP20_11_2e_ad_2e2f:Cd-Fe-O,20.0,"Invalid WP multiplicities - ABC3_mP20_11_3e_ac_3e3f:Cd-Fe-O, expected Cd3Fe2O9 to be CdFeO3" +mp-1290304,CdFeO3,-6.1633916635,-1.3167962427,0.0924293896,0.0924293896,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Cd-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Cd-Fe-O +mp-776476,CdFeO3,-6.170801069,-1.3242056482,0.0850199841,0.0850199841,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Cd-Fe-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Cd-Fe-O, expected CdFeO7 to be CdFeO3" +mp-770847,La2Cd2O5,-6.7304738331,-2.6803363568,0.0792106654,0.0792106654,GGA,Pnma,A2B2C5_oP36_62_ac_d_c2d:Cd-La-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_2a2c_d_4c5d:Cd-La-O, expected LaCd2O7 to be La2Cd2O5" +mp-754261,La4FeO8,-8.4613258929,-3.2468982529,0.0861974737,0.0861974737,GGA+U,Cmmm,AB4C8_oC26_65_a_gh_ghn:Fe-La-O,52.0,AB4C8_oC26_65_a_gh_ghn:Fe-La-O +mp-1283389,Cd(FeO2)2,-6.7291129243,-1.3505862064,0.2724939229,0.2594093743,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Cd-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4ij:Cd-Fe-O, expected Cd(FeO3)2 to be Cd(FeO2)2" +mp-756539,Cd(FeO2)2,-6.8747167429000005,-1.496190025,0.1268901043,0.1138055557,GGA+U,Pmn2_1,AB2C4_oP28_31_2a_4a_8a:Cd-Fe-O,28.0,AB2C4_oP28_31_4a_8a_16a:Cd-Fe-O +mp-772600,Cd(FeO2)2,-6.9502932036,-1.5717664857,0.0513136436,0.038229095,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Cd-Fe-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Cd-Fe-O, expected CdFe5O13 to be Cd(FeO2)2" +mp-2221664,Cd(FeO2)2,-6.9500782021,-1.5715514843,0.051528645,0.0384440964,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Cd-Fe-O,14.0,AB2C4_tI28_141_a_d_h:Cd-Fe-O +mp-532027,Cd(FeO2)2,-6.967197557,-1.5886708392000002,0.0344092901,0.0213247415,GGA+U,P3m1,AB2C4_hP84_156_3a4b5c_3a2bc6d_4a4b4c12d:Cd-Fe-O,84.0,"Invalid WP multiplicities - AB2C4_hP84_156_3a4b5c_3a2bc10d_4a4b4c28d:Cd-Fe-O, expected CdFe3O8 to be Cd(FeO2)2" +mp-21333,Cd(FeO2)2,-7.0016068471,-1.6230801293,0.0,-0.0130845486,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Fe-O,14.0,AB2C4_cF56_227_a_d_e:Cd-Fe-O +mp-973869,LaCdO3,-6.213028832,-2.0732362323,0.4103560877,0.4103560877,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-La-O,5.0,ABC3_cP5_221_b_a_c:Cd-La-O +mp-1097052,La2Fe2O5,-8.3863716522,-2.6590938537,0.1723252562,0.1723252562,GGA+U,P1,A2B2C5_aP9_1_2a_2a_5a:Fe-La-O,9.0,A2B2C5_aP9_1_2a_2a_5a:Fe-La-O +mp-1097888,La2Fe2O5,-8.3670323867,-2.6397545882,0.1916645217,0.1916645217,GGA+U,C2,A2B2C5_mC18_5_c_ab_a2c:Fe-La-O,9.0,"Invalid WP multiplicities - A2B2C5_mC18_5_c_ab_a4c:Fe-La-O, expected La2Fe2O9 to be La2Fe2O5" +mp-1099626,La2Fe2O5,-8.4669411817,-2.7396633832,0.0917557267,0.0917557267,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Fe-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Fe-La-O +mp-1223213,La3Cd(FeO3)4,-7.912403534,-2.4638405115,0.0287327818,0.0287327818,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Cd-Fe-La-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Cd-Fe-La-O, expected La3Cd(Fe2O5)4 to be La3Cd(FeO3)4" +mp-770762,La7(FeO8)2,-8.1860606976,-2.9604962362,0.1184326721,0.1184326721,GGA+U,Cm,A2B7C16_mC50_8_2a_3a2b_4a6b:Fe-La-O,25.0,"Invalid WP multiplicities - A2B7C16_mC50_8_2a_3a4b_4a12b:Fe-La-O, expected La11(FeO14)2 to be La7(FeO8)2" +mp-1214463,BaMnO4,-7.2101955625,-2.065571383,0.0036635135,0.0036635135,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Ba-Mn-O,24.0,ABC4_oP24_62_c_c_2cd:Ba-Mn-O +mp-1205598,Ba2PuMnO6,-8.711821871,-3.017028294,0.0,-0.0560653055,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Pu,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Pu +mp-1205571,Ba3PuO6,-8.014940303,-3.0444507613,0.0,-0.108860682,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Ba-O-Pu,10.0,A3B6C_cF40_225_ac_e_b:Ba-O-Pu +mp-759718,Ba5Mn5O14,-7.6869572225,-2.4928491759,0.0,-0.0042122656,GGA+U,Ama2,A5B5C14_oC96_40_b2c_a2c_2b6c:Ba-Mn-O,48.0,"Invalid WP multiplicities - A5B5C14_oC96_40_2b5c_2a4c_3b20c:Ba-Mn-O, expected Ba12Mn10O43 to be Ba5Mn5O14" +mp-1215039,BaMn2O4,-7.631423455,-1.9128862594,0.4330943572,0.4330943572,GGA+U,Fddd,AB2C4_oF112_70_c_h_2h:Ba-Mn-O,28.0,AB2C4_oF112_70_c_h_2h:Ba-Mn-O +mp-30895,Ba6Mn5O16,-7.5783433274,-2.5238638652,0.0,-0.000623432,GGA+U,Cmce,A6B5C16_oC108_64_3f_a2f_e3f2g:Ba-Mn-O,54.0,"Invalid WP multiplicities - A6B5C16_oC108_64_3f_a2f_e4f2g:Ba-Mn-O, expected Ba6Mn5O18 to be Ba6Mn5O16" +mp-27323,BaMn2O3,-8.1151826117,-2.268004002,0.0033823219,0.0033823219,GGA+U,Immm,AB2C3_oI12_71_a_e_bf:Ba-Mn-O,6.0,AB2C3_oI12_71_a_e_bf:Ba-Mn-O +mp-1214669,Ba2Mn5O10,-8.0041129794,-2.1738239528,0.1313979659,0.1313979659,GGA+U,C2/m,A2B5C10_mC34_12_i_a2i_5i:Ba-Mn-O,17.0,A2B5C10_mC34_12_i_a2i_5i:Ba-Mn-O +mp-1095090,BaMn2O5,-7.6800878375,-2.0580317025,0.1824067402,0.1824067402,GGA+U,Cmmm,AB2C5_oC16_65_c_g_agh:Ba-Mn-O,8.0,AB2C5_oC16_65_c_g_agh:Ba-Mn-O +mp-19188,Ba3Mn2O8,-7.3247303642,-2.4282330493,0.0,-0.0171606388,GGA+U,R-3m,A3B2C8_hR39_166_ac_c_ch:Ba-Mn-O,26.0,A3B2C8_hR39_166_ac_c_ch:Ba-Mn-O +mp-1228224,BaMn5O11,-7.8124328429,-1.8040430062,0.2222982895,0.2222982895,GGA+U,Cm,AB5C11_mC34_8_a_5a_11a:Ba-Mn-O,17.0,AB5C11_mC34_8_a_5a_11a:Ba-Mn-O +mp-760130,Ba8Mn8O23,-7.6752989982,-2.4849974029,0.0040951191,0.0040951191,GGA+U,Amm2,A8B8C23_oC78_38_ab3c_4c_a3cde3f:Ba-Mn-O,39.0,"Invalid WP multiplicities - A8B8C23_oC78_38_ab6c_6c_a3c2d2e4f:Ba-Mn-O, expected Ba14Mn12O31 to be Ba8Mn8O23" +mp-1199857,BaMnO2,-7.6358125164,-2.3922206028,0.0249313114,0.0249313114,GGA+U,Pnma,ABC2_oP64_62_2cd_2d_a3c2d:Ba-Mn-O,64.0,ABC2_oP64_62_2cd_2d_a3c2d:Ba-Mn-O +mp-504545,Ba2MnO3,-7.1963031667,-2.556297949,0.0066195554,-0.0101565208,GGA+U,Cc,A2BC3_mC48_9_4a_2a_6a:Ba-Mn-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_2f_f_2e4f:Ba-Mn-O, expected Ba2MnO5 to be Ba2MnO3" +mp-27443,Ba2MnO3,-7.2029227221,-2.5629175044,0.0,-0.0167760762,GGA+U,C2/c,A2BC3_mC48_15_2f_f_2e2f:Ba-Mn-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_2f_f_3e5f:Ba-Mn-O, expected Ba4Mn2O13 to be Ba2MnO3" +mp-753330,Ba2MnO4,-7.2624627629,-2.5786456176,0.0210585898,0.0210585898,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:Ba-Mn-O,7.0,"Invalid WP multiplicities - A2BC4_tI14_139_e_a_2ce:Ba-Mn-O, expected Ba2MnO6 to be Ba2MnO4" +mp-766233,BaMn4O8,-8.1527328713,-2.141921656,0.0263101928,0.0263101928,GGA+U,P-1,AB4C8_aP78_2_ad2i_12i_24i:Ba-Mn-O,78.0,"Invalid WP multiplicities - AB4C8_aP78_2_ad4i_23i_47i:Ba-Mn-O, expected Ba5Mn23O47 to be BaMn4O8" +mp-1182375,BaMn4O8,-8.1212860192,-2.110474804,0.0577570448,0.0577570448,GGA+U,C2/m,AB4C8_mC26_12_a_2i_4i:Ba-Mn-O,13.0,AB4C8_mC26_12_a_2i_4i:Ba-Mn-O +mp-541150,BaMn4O8,-8.1204561846,-2.1096449694,0.0585868795,0.0585868795,GGA+U,I4/m,AB4C8_tI26_87_a_h_2h:Ba-Mn-O,13.0,AB4C8_tI26_87_a_h_2h:Ba-Mn-O +mp-1041312,BaMn4O8,-7.8334842554,-1.8226730401,0.3455588087,0.3455588087,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Mn-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Mn-O +mp-18791,Ba4Mn3O10,-7.525029746199999,-2.5468631139,0.0,-0.0088620728,GGA+U,Cmce,A4B3C10_oC68_64_2f_af_e2fg:Ba-Mn-O,34.0,"Invalid WP multiplicities - A4B3C10_oC68_64_2f_af_e3fg:Ba-Mn-O, expected Ba4Mn3O12 to be Ba4Mn3O10" +mp-1228782,BaMn8O16,-8.2133685268,-2.0388838605,0.0,-0.021945462,GGA+U,P2/c,AB8C16_mP50_13_e_4g_8g:Ba-Mn-O,50.0,AB8C16_mP50_13_e_4g_8g:Ba-Mn-O +mp-1099904,Ba2Mn2O5,-7.6656779183,-2.4550752494,0.0249194622,0.0249194622,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ba-Mn-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ba-Mn-O +mp-1048511,Ba2Mn3O7,-7.6153377108,-2.1194363163,0.2861676688,0.2861676688,GGA+U,Pmm2,A2B3C7_oP12_25_e_bf_ae2f:Ba-Mn-O,12.0,A2B3C7_oP12_25_e_bf_ae2f:Ba-Mn-O +mp-675227,BaMnO3,-7.65262523,-2.4684139568,0.014667919,-0.0113885953,GGA+U,R-3m,ABC3_hR75_166_b2c_a2c_d2h:Ba-Mn-O,25.0,"Invalid WP multiplicities - ABC3_hR75_166_b4c_a3c_d3h:Ba-Mn-O, expected Ba9Mn7O21 to be BaMnO3" +mp-18840,BaMnO3,-7.6523953087,-2.4681840355,0.0148978403,-0.0111586739,GGA+U,R-3m,ABC3_hR45_166_bc_ac_dh:Ba-Mn-O,15.0,ABC3_hR45_166_bc_ac_dh:Ba-Mn-O +mp-19267,BaMnO3,-7.659943475,-2.4757322018,0.007349674,-0.0187068403,GGA+U,P6_3cm,ABC3_hP30_185_c_ab_cd:Ba-Mn-O,30.0,ABC3_hP30_185_c_ab_cd:Ba-Mn-O +mp-1205336,BaMnO3,-7.667293149,-2.4830818758,0.0,-0.0260565143,GGA+U,P6_3mc,ABC3_hP10_186_b_a_c:Ba-Mn-O,20.0,ABC3_hP10_186_b_a_c:Ba-Mn-O +mp-757501,BaMnO3,-7.648882795,-2.4646715218,0.018410354,-0.0076461603,GGA+U,P-6m2,ABC3_hP30_187_adgi_2hi_jk2n:Ba-Mn-O,30.0,"Invalid WP multiplicities - ABC3_hP30_187_ad2gi_3hi_3j3k5n:Ba-Mn-O, expected BaMnO6 to be BaMnO3" +mp-35078,BaMnO3,-7.64734137,-2.4631300968,0.019951779,-0.0061047353,GGA+U,P6_3/mmc,ABC3_hP20_194_ac_f_gh:Ba-Mn-O,20.0,ABC3_hP20_194_ac_f_gh:Ba-Mn-O +mp-19156,BaMnO3,-7.6671448255,-2.4829335523,0.0001483235,-0.0259081908,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_h:Ba-Mn-O,20.0,ABC3_hP10_194_c_a_h:Ba-Mn-O +mp-557535,BaMnO3,-7.6526169558,-2.4684056826000003,0.0146761932,-0.011380321,GGA+U,P6_3/mmc,ABC3_hP40_194_abf_2f_ghk:Ba-Mn-O,40.0,"Invalid WP multiplicities - ABC3_hP40_194_2a2b3f_4f_5g5h6k:Ba-Mn-O, expected Ba5Mn4O33 to be BaMnO3" +mp-1016852,BaMnO3,-7.54118007,-2.3569687968,0.126113079,0.1000565647,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Mn-O,5.0,ABC3_cP5_221_a_b_c:Ba-Mn-O +mp-30153,BaMn3O6,-8.105548515,-2.1970332066,0.0518493412,0.0518493412,GGA+U,C2/m,AB3C6_mC40_12_i_3i_ac5i:Ba-Mn-O,20.0,AB3C6_mC40_12_i_3i_ad5i:Ba-Mn-O +mp-1048508,BaMn4O7,-7.943490717099999,-1.8440026265,0.3871109767,0.3871109767,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Mn-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Mn-O +mp-694888,Ba8Mn8O21,-7.6970522027,-2.4935823434,0.0,-0.0150542711,GGA+U,Pm,A8B8C21_mP37_6_2a2b2c_4c_4a5b6c:Ba-Mn-O,37.0,"Invalid WP multiplicities - A8B8C21_mP37_6_2a2b4c_6c_4a5b9c:Ba-Mn-O, expected Ba4Mn4O9 to be Ba8Mn8O21" +mp-505025,BaPuO3,-9.644219982,-3.4388441012,0.0,-0.118764568,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-O-Pu,20.0,AB3C_oP20_62_c_cd_a:Ba-O-Pu +mp-7143,BaPuO3,-9.619879698,-3.4145038172,0.024340284,-0.094424284,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pu,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pu +mp-1228093,BaMn6O12,-8.2018274934,-2.0833363762,0.0,-0.0002422657,GGA+U,C2/m,AB6C12_mC76_12_g_2i2j_4i4j:Ba-Mn-O,38.0,"Invalid WP multiplicities - AB6C12_mC76_12_g_4i4j_8i8j:Ba-Mn-O, expected BaMn12O24 to be BaMn6O12" +mp-27681,BaMn2O8,-6.9943881095,-1.5565230901,0.0728866864,0.0728866864,GGA+U,Fddd,AB2C8_oF88_70_a_e_2h:Ba-Mn-O,22.0,"Invalid WP multiplicities - AB2C8_oF88_70_a_e_3h:Ba-Mn-O, expected BaMn2O12 to be BaMn2O8" +mp-554123,BaMn2O8,-6.9565945609,-1.5187295414,0.110680235,0.110680235,GGA+U,Fddd,AB2C8_oF88_70_a_e_2h:Ba-Mn-O,22.0,"Invalid WP multiplicities - AB2C8_oF88_70_a_e_9h:Ba-Mn-O, expected BaMn2O36 to be BaMn2O8" +mp-1191043,BaMn2O8,-6.9584592855,-1.520594266,0.1088155105,0.1088155105,GGA+U,Fddd,AB2C8_oF88_70_a_e_2h:Ba-Mn-O,,AB2C8_oF88_70_a_e_2h:Ba-Mn-O +mp-1238580,BaMn2O8,-6.7417961505,-1.303931131,0.3254786455,0.3254786455,GGA+U,Fddd,AB2C8_oF88_70_a_e_2h:Ba-Mn-O,22.0,AB2C8_oF88_70_a_e_2h:Ba-Mn-O +mp-1214549,Ba3MnO5,-7.0165667317,-2.6107463241,0.0388633604,0.0388633604,GGA+U,I4/mcm,A3BC5_tI36_140_ah_b_cl:Ba-Mn-O,18.0,A3BC5_tI36_140_ah_b_cl:Ba-Mn-O +mp-1048172,Ba2Mn3O8,-7.4966237269,-2.0429694618,0.2907933782,0.2907933782,GGA+U,P4/mmm,A2B3C8_tP13_123_h_ag_fgi:Ba-Mn-O,13.0,"Invalid WP multiplicities - A2B3C8_tP13_123_h_a2g_2f2g2i:Ba-Mn-O, expected Ba2Mn5O16 to be Ba2Mn3O8" +mp-706269,MgNb5O9,-8.260117478,-1.8183172346,0.9674680905,0.9674680905,GGA,P-3m1,AB5C9_hP15_164_b_a2d_ei:Mg-Nb-O,15.0,"Invalid WP multiplicities - AB5C9_hP15_164_b_a4d_2ei:Mg-Nb-O, expected MgNb9O12 to be MgNb5O9" +mp-505365,Mg3Nb6O11,-8.758069667000001,-2.7669573563,0.0,-0.0469425049,GGA,P-3m1,A3B6C11_hP20_164_ad_i_dfi:Mg-Nb-O,20.0,A3B6C11_hP20_164_ad_i_dfi:Mg-Nb-O +mp-2232190,MgNb4O10,-9.0562904693,-2.9581313145,0.0626773307,0.0626773307,GGA,P1,AB4C10_aP15_1_a_4a_10a:Mg-Nb-O,15.0,AB4C10_aP15_1_a_4a_10a:Mg-Nb-O +mp-2232110,MgNb4O10,-8.9918925553,-2.8937334005,0.1270752447,0.1270752447,GGA,P-1,AB4C10_aP15_2_a_2i_5i:Mg-Nb-O,15.0,"Invalid WP multiplicities - AB4C10_aP15_2_a_4i_9i:Mg-Nb-O, expected MgNb8O18 to be MgNb4O10" +mp-2232191,MgNb4O10,-8.993619376,-2.8954602212,0.125348424,0.125348424,GGA,Pm,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O,15.0,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O +mp-2232162,MgNb4O10,-9.015451698,-2.9172925432000003,0.103516102,0.103516102,GGA,Pm,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O,15.0,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O +mp-2232106,MgNb4O10,-8.9628570627,-2.8646979078,0.1561107373,0.1561107373,GGA,Pm,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O,15.0,AB4C10_mP15_6_a_2a2b_5a5b:Mg-Nb-O +mp-1220709,Nb3Sb3O13,-8.1072291221,-2.4757621702,0.020012737,0.020012737,GGA,Cm,A3B13C3_mC38_8_ab_5a4b_ab:Nb-O-Sb,19.0,"Invalid WP multiplicities - A3B13C3_mC38_8_ab_5a8b_ab:Nb-O-Sb, expected NbSbO7 to be Nb3Sb3O13" +mp-1023920,Mg3NbO4,-6.7957654737,-2.4596529694,0.4092351509,0.4092351509,GGA,Pm-3m,A3BC4_cP8_221_c_a_bd:Mg-Nb-O,8.0,"Invalid WP multiplicities - A3BC4_cP8_221_c_a_b2d:Mg-Nb-O, expected Mg3NbO7 to be Mg3NbO4" +mp-17841,Mg4Nb2O9,-7.8422783223,-3.1006830769,0.0,-0.017648868,GGA,P-3c1,A4B2C9_hP30_165_2d_c_fg:Mg-Nb-O,30.0,A4B2C9_hP30_165_2d_c_fg:Mg-Nb-O +mp-2222893,MgNb2O5,-8.40952318,-2.5924814692,0.3900941107,0.3900941107,GGA,C2/m,AB2C5_mC16_12_a_i_d2i:Mg-Nb-O,8.0,AB2C5_mC16_12_a_i_c2i:Mg-Nb-O +mp-2217095,MgNb2O5,-8.57665468,-2.7596129692,0.2229626107,0.2229626107,GGA,Amm2,AB2C5_oC16_38_a_2b_2a3b:Mg-Nb-O,8.0,AB2C5_oC16_38_a_2b_2a3b:Mg-Nb-O +mp-1026542,Mg14NbSb,-2.2659269794,0.0237122069,0.1158863486,0.1158863486,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Sb, expected Mg18NbSb to be Mg14NbSb" +mp-1026520,Mg14NbSb,-2.2746934313,0.014945755,0.1071198967,0.1071198967,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Sb, expected Mg26NbSb to be Mg14NbSb" +mp-1016588,Mg6NbSb,-2.9300856344,0.0489126881,0.210403158,0.210403158,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Sb, expected Mg12NbSb to be Mg6NbSb" +mp-1016592,Mg6NbSb,-2.9560990688,0.0228992537,0.1843897236,0.1843897236,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Sb, expected Mg12NbSb to be Mg6NbSb" +mp-760134,NbSb3O8,-7.3481699356,-2.1763517315,0.0048086723,0.0048086723,GGA,P1,AB8C3_aP48_1_4a_32a_12a:Nb-O-Sb,48.0,AB8C3_aP48_1_4a_32a_12a:Nb-O-Sb +mp-1220489,NbSb3O8,-7.3478269096,-2.1760087054,0.0051516983,0.0051516983,GGA,Pc,AB8C3_mP24_7_a_8a_3a:Nb-O-Sb,24.0,"Invalid WP multiplicities - AB8C3_mP24_7_a_16a_5a:Nb-O-Sb, expected NbSb5O16 to be NbSb3O8" +mp-17953,MgNb2O6,-8.8226993039,-3.1023634819,0.0,-0.0399290006,GGA,Pbcn,AB2C6_oP36_60_c_d_3d:Mg-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_4d:Mg-Nb-O, expected MgNb2O8 to be MgNb2O6" +mp-3491,NbSbO4,-8.1934912963,-2.5239811088,0.0,-0.0232892102,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Nb-O-Sb,24.0,AB4C_oP24_33_a_4a_a:Nb-O-Sb +mp-3612,NbSbO4,-8.1932049646,-2.5236947771,0.0002863317,-0.0230028785,GGA,Pnna,AB4C_oP24_52_d_2e_c:Nb-O-Sb,24.0,AB4C_oP24_52_d_2e_c:Nb-O-Sb +mp-1048066,Mg2Nb2SbO8,-7.8609557769,-2.6989803069,0.156280146,0.156280146,GGA,C2,A2B2C8D_mC52_5_2c_2c_8c_ab:Mg-Nb-O-Sb,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Mg-Nb-O-Sb, expected Mg2Nb2SbO10 to be Mg2Nb2SbO8" +mp-1346597,Mg2Nb2SbO8,-7.8596584396,-2.6976829696,0.1575774833,0.1575774833,GGA,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Mg-Nb-O-Sb,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Mg-Nb-O-Sb, expected Mg2Nb2SbO10 to be Mg2Nb2SbO8" +mp-755840,Nb2SbO6,-8.6331387944,-2.6318339514,0.0657892204,0.0657892204,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Nb-O-Sb,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_5f_e:Nb-O-Sb, expected Nb2SbO10 to be Nb2SbO6" +mp-1048116,Ba2Co3O8,-6.48977892,-1.5100548465,0.3192800169,0.3192800169,GGA+U,P4/mmm,A2B3C8_tP13_123_h_ag_fgi:Ba-Co-O,13.0,"Invalid WP multiplicities - A2B3C8_tP13_123_h_a2g_2f2g2i:Ba-Co-O, expected Ba2Co5O16 to be Ba2Co3O8" +mp-22136,CoGeO3,-7.105979349,-1.7916969923,0.0013515145,-0.0037600798,GGA+U,C2/c,ABC3_mC40_15_2e_f_3f:Co-Ge-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_4e_f_7f:Co-Ge-O, expected Co2GeO7 to be CoGeO3" +mp-550220,CoGeO3,-7.1073308635,-1.7930485068,0.0,-0.0051115943,GGA+U,C2,ABC3_mC40_5_2a2b_2c_6c:Co-Ge-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_4e_f_7f:Co-Ge-O, expected Co2GeO7 to be CoGeO3" +mp-1048496,Ba2Co3O7,-6.6221277417,-1.6396507214,0.2858863823,0.2858863823,GGA+U,Pmm2,A2B3C7_oP12_25_2d_3a_2a2b3c:Ba-Co-O,12.0,A2B3C7_oP12_25_2d_3a_2a2b3c:Ba-Co-O +mp-1402976,Ba2Co3O7,-6.6297318692000005,-1.6472548489,0.2782822548,0.2782822548,GGA+U,Pmmm,A2B3C7_oP12_47_l_ai_cijk:Ba-Co-O,12.0,A2B3C7_oP12_25_2d_3a_2a2b3c:Ba-Co-O +mp-1041292,Ba(CoO2)4,-6.6139974892,-1.2350931962,0.2796756396,0.2796756396,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Co-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Co-O +mp-779880,Ba2GeO4,-6.8657288489,-2.8303384804,0.0269643885,-0.0323455361,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:Ba-Ge-O,56.0,"Invalid WP multiplicities - A2BC4_mP56_14_11e_3e_25e:Ba-Ge-O, expected Ba11Ge3O25 to be Ba2GeO4" +mp-752730,Ba2GeO4,-6.8880679732,-2.8526776046,0.0046252642,-0.0546846604,GGA,P2_1/c,A2BC4_mP28_14_2e_e_4e:Ba-Ge-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_14_5e_e_13e:Ba-Ge-O, expected Ba5GeO13 to be Ba2GeO4" +mp-780010,Ba2GeO4,-6.8915576302,-2.8561672616,0.0011356072,-0.0581743173,GGA,Pna2_1,A2BC4_oP56_33_4a_2a_8a:Ba-Ge-O,56.0,"Invalid WP multiplicities - A2BC4_oP56_33_13a_5a_29a:Ba-Ge-O, expected Ba13Ge5O29 to be Ba2GeO4" +mp-780263,Ba2GeO4,-6.8926932374,-2.8573028688,0.0,-0.0593099245,GGA,Pna2_1,A2BC4_oP84_33_6a_3a_12a:Ba-Ge-O,84.0,"Invalid WP multiplicities - A2BC4_oP84_33_20a_9a_45a:Ba-Ge-O, expected Ba20(GeO5)9 to be Ba2GeO4" +mp-752410,Ba2GeO4,-6.8556684946,-2.8202781261,0.0370247427,-0.0222851818,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ba-Ge-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_2a2c_c_5c4d:Ba-Ge-O, expected Ba4GeO13 to be Ba2GeO4" +mp-817649,Ba8Co7O19,-2.8235926494,1.8557341035,4.0040282886,4.0040282886,GGA+U,P1,A8B7C19_aP68_1_16a_14a_38a:Ba-Co-O,68.0,A8B7C19_aP68_1_16a_14a_38a:Ba-Co-O +mp-704890,Ba8Co7O19,-6.7523787266,-2.0730519737,0.0752422114,0.0752422114,GGA+U,P1,A8B7C19_aP68_1_16a_14a_38a:Ba-Co-O,68.0,A8B7C19_aP68_1_16a_14a_38a:Ba-Co-O +mp-1178548,Ba8Co7O19,-6.7393832621000005,-2.0600565092,0.088237676,0.088237676,GGA+U,Fdd2,A8B7C19_oF272_43_2a3b_a3b_a9b:Ba-Co-O,68.0,"Invalid WP multiplicities - A8B7C19_oF272_43_4a12b_2a9b_2a33b:Ba-Co-O, expected Ba7Co5O17 to be Ba8Co7O19" +mp-559274,Ba21Ge2O5,-3.7021245279,-1.0493397776,0.0701680286,0.0701680286,GGA,Fd-3m,A21B2C5_cF224_227_acfg_d_be:Ba-Ge-O,56.0,"Invalid WP multiplicities - A21B2C5_cF224_227_2a3c9f8g_d_2b3e:Ba-Ge-O, expected Ba79GeO7 to be Ba21Ge2O5" +mp-2222256,Ba2Co2O5,-6.7788836817,-2.0246582343,0.0756760936,0.0756760936,GGA+U,Cm,A2B2C5_mC36_8_2b_2ab_2a4b:Ba-Co-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_8_3b_2ab_2a6b:Ba-Co-O, expected Ba3Co2O7 to be Ba2Co2O5" +mp-1076439,Ba2Co2O5,-6.8150614233,-2.060835976,0.0394983519,0.0394983519,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ba-Co-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ba-Co-O +mp-1182246,BaGe3O8,-6.639018605,-2.0255545887,0.1807620586,0.1807620586,GGA,C2/c,AB3C8_mC48_15_e_cf_4f:Ba-Ge-O,24.0,"Invalid WP multiplicities - AB3C8_mC48_15_e_af_6f:Ba-Ge-O, expected Ba(GeO4)3 to be BaGe3O8" +mp-558184,BaGe2O5,-6.9465519788000005,-2.459242703,0.0382337162,0.0382337162,GGA,P2_1/c,AB2C5_mP128_14_4e_ac7e_20e:Ba-Ge-O,128.0,"Invalid WP multiplicities - AB2C5_mP128_14_14e_2a2c26e_77e:Ba-Ge-O, expected Ba2Ge4O11 to be BaGe2O5" +mp-28288,BaGe2O5,-6.9312885641,-2.4439792883,0.0534971309,0.0534971309,GGA,Cmce,AB2C5_oC64_64_f_2f_e2fg:Ba-Ge-O,32.0,AB2C5_oC64_64_f_2f_e2fg:Ba-Ge-O +mp-562649,Ba3Co10O17,-7.016387987,-1.651927625,0.0213225472,0.0213225472,GGA+U,R-3m,A3B10C17_hR90_166_ac_b3cd_ce2h:Ba-Co-O,30.0,"Invalid WP multiplicities - A3B10C17_hR90_166_ac_b4c3d_2c2e7h:Ba-Co-O, expected Ba3(Co9O26)2 to be Ba3Co10O17" +mp-1190729,BaGeO4,-6.3623190633,-1.97419279,0.2731110331,0.2731110331,GGA,P-1,ABC4_aP24_2_2i_2i_8i:Ba-Ge-O,24.0,ABC4_aP24_2_2i_2i_8i:Ba-Ge-O +mp-1202498,Ba9Ge23O57,-6.8882310475,-2.3313583322,0.0540151987,0.0540151987,GGA,Cmc2_1,A9B23C57_oC356_36_3a3b_3a10b_7a25b:Ba-Ge-O,178.0,"Invalid WP multiplicities - A9B23C57_oC356_36_6a9b_5a32b_14a93b:Ba-Ge-O, expected Ba24Ge69O200 to be Ba9Ge23O57" +mp-729893,Ba9Ge23O57,-6.8875799943,-2.330707279,0.0546662519,0.0546662519,GGA,P6_3cm,A9B23C57_hP178_185_3c_a2b2c2d_7c6d:Ba-Ge-O,178.0,A9B23C57_hP178_185_3c_a2b2c2d_7c6d:Ba-Ge-O +mp-16887,Ba2CoO4,-6.7237139943,-2.3332822057,0.0,-0.0298314348,GGA+U,P2_1/c,A2BC4_mP28_14_2e_e_4e:Ba-Co-O,28.0,A2BC4_mP28_14_2e_e_4e:Ba-Co-O +mp-17478,Ba2CoO4,-6.7180935482,-2.3276617596,0.0056204461,-0.0242109887,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Ba-Co-O,28.0,A2BC4_oP28_62_2c_c_2cd:Ba-Co-O +mp-17833,Ba3GeO,-4.505382822,-1.4400545448,0.0,-0.015042038,GGA,Pnma,A3BC_oP20_62_cd_c_a:Ba-Ge-O,20.0,A3BC_oP20_62_cd_c_a:Ba-Ge-O +mp-676865,BaGeO3,-6.5219943673,-2.2455805816,0.4511840062,0.4108522306,GGA,P1,ABC3_aP30_1_6a_6a_18a:Ba-Ge-O,30.0,ABC3_aP30_1_6a_6a_18a:Ba-Ge-O +mp-13863,BaGeO3,-6.9731783735,-2.6967645877,0.0,-0.0403317755,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:Ba-Ge-O,20.0,ABC3_oP20_19_a_a_3a:Ba-Ge-O +mp-1016823,BaGeO3,-6.740814964,-2.4644011783,0.2323634095,0.192031634,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Ge-O,5.0,ABC3_cP5_221_a_b_c:Ba-Ge-O +mp-1228879,Ba10Ge7O3,-4.538869791,-1.2193192651,0.04532246,0.04532246,GGA,P-6m2,A10B7C3_hP20_187_a2jk_dm_j:Ba-Ge-O,20.0,A10B7C3_hP20_187_a2jk_dm_j:Ba-Ge-O +mp-1195315,Ba12(CoO3)11,-6.7865399046,-2.0640412886,0.0320592707,0.0320592707,GGA+U,C2/c,A12B11C33_mC224_15_2e5f_e5f_e16f:Ba-Co-O,112.0,A12B11C33_mC224_15_2e5f_e5f_e16f:Ba-Co-O +mp-1196124,BaGe4O9,-6.992254396,-2.3543054844,0.0008222429,-0.0553688768,GGA,P3,AB4C9_hP42_143_d_abc3d_9d:Ba-Ge-O,42.0,"Invalid WP multiplicities - AB4C9_hP42_150_e_adf2g_f7g:Ba-Ge-O, expected Ba(Ge2O5)3 to be BaGe4O9" +mp-3848,BaGe4O9,-6.9930766388,-2.3551277273,0.0,-0.0561911197,GGA,P321,AB4C9_hP42_150_e_adfg_f4g:Ba-Ge-O,42.0,AB4C9_hP42_150_e_adfg_f4g:Ba-Ge-O +mp-1070253,Ba(CoGe)2,-5.4547369020000005,-0.378403654,0.0,-0.0499875265,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Co-Ge,5.0,AB2C2_tI10_139_a_d_e:Ba-Co-Ge +mp-548805,Co2GeO4,-7.1817177464,-1.6636579907,0.0,-0.0134549683,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Co-Ge-O,14.0,A2BC4_tI28_141_c_b_h:Co-Ge-O +mp-18758,Co2GeO4,-7.1624451843,-1.6443854286,0.0192725621,0.0058175939,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Ge-O,14.0,A2BC4_cF56_227_c_b_e:Co-Ge-O +mp-22557,Ba5Co5O14,-6.8255390537,-2.0592846524,0.0118664539,0.0118664539,GGA+U,P-3m1,A5B5C14_hP24_164_a2d_bcd_d2i:Ba-Co-O,24.0,"Invalid WP multiplicities - A5B5C14_hP24_164_a2d_bcd_d3i:Ba-Co-O, expected BaCoO4 to be Ba5Co5O14" +mp-764992,Co29Ge13O56,-7.1320036435,-1.5885837863,0.0492287716,0.0492287716,GGA+U,R3,A29B13C56_hR294_146_2a9b_a4b_2a18b:Co-Ge-O,98.0,"Invalid WP multiplicities - A29B13C56_hR294_146_2a25b_a9b_2a53b:Co-Ge-O, expected Co11Ge4O23 to be Co29Ge13O56" +mp-1353855,Co(GeO3)2,-6.6889479206,-1.5740028347,0.1718269287,0.1718269287,GGA+U,P2_1/c,AB2C6_mP36_14_e_2e_6e:Co-Ge-O,36.0,AB2C6_mP36_14_e_2e_6e:Co-Ge-O +mp-1043245,Co(GeO3)2,-6.6929959717,-1.5780508858,0.1677788776,0.1677788776,GGA+U,C2/c,AB2C6_mC36_15_e_f_3f:Co-Ge-O,18.0,AB2C6_mC36_15_e_f_3f:Co-Ge-O +mp-1283250,BaCoO3,-6.8260577520000005,-2.0525859782,0.001055195,-0.072065084,GGA+U,C2/m,ABC3_mC20_12_i_ac_ij:Ba-Co-O,20.0,ABC3_hP10_194_c_a_h:Ba-Co-O +mp-18965,BaCoO3,-6.827112947,-2.0536411733,0.0,-0.073120279,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_h:Ba-Co-O,20.0,ABC3_hP10_194_c_a_h:Ba-Co-O +mp-1076782,BaCoO3,-6.604887678,-1.8314159043,0.222225269,0.14910499,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Co-O,5.0,ABC3_cP5_221_a_b_c:Ba-Co-O +mp-1345066,BaCo4O7,-6.7245404379,-1.3096181797,0.3054617692,0.3054617692,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Co-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Co-O +mp-1190827,Ba2CoGe2O7,-7.0626826563,-2.4944206259,0.0,-0.0329473435,GGA+U,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Ba-Co-Ge-O,48.0,A2BC2D7_tP24_113_e_a_e_cef:Ba-Co-Ge-O +mp-1214566,Ba3CoO5,-6.6198656775,-2.4422338807,0.0001586914,0.0001586914,GGA+U,I4/mcm,A3BC5_tI36_140_ah_b_cl:Ba-Co-O,36.0,A3BC5_tI36_140_ah_b_cl:Ba-Co-O +mp-778602,Ba3GeO5,-6.7557193903,-2.8542309201,0.0,-0.0042667212,GGA,P4/ncc,A3BC5_tP36_130_cf_b_cg:Ba-Ge-O,36.0,"Invalid WP multiplicities - A3BC5_tP36_130_2c2f_b_2c2g:Ba-Ge-O, expected Ba6GeO10 to be Ba3GeO5" +mp-754370,Ba3GeO5,-6.748859285,-2.8473708149,0.0068601053,0.0025933841,GGA,I4/mcm,A3BC5_tI36_140_ah_b_cl:Ba-Ge-O,18.0,"Invalid WP multiplicities - A3BC5_tI36_140_a2h_b_c2l:Ba-Ge-O, expected Ba5GeO9 to be Ba3GeO5" +mp-756637,Ba3GeO5,-6.7214511111,-2.819962641,0.0342682792,0.030001558,GGA,R3m,A3BC5_hR81_160_3b_3a_6a3b:Ba-Ge-O,27.0,"Invalid WP multiplicities - A3BC5_hR81_160_8b_3a_6a7b:Ba-Ge-O, expected Ba8GeO9 to be Ba3GeO5" +mp-770959,Ba3GeO5,-6.730243183,-2.8287547128,0.0254762073,0.0212094861,GGA,R3m,A3BC5_hR81_160_3b_3a_6a3b:Ba-Ge-O,27.0,"Invalid WP multiplicities - A3BC5_hR81_160_6b_3a_6a9b:Ba-Ge-O, expected Ba6GeO11 to be Ba3GeO5" +mp-510717,Ba2Co9O14,-6.9891147968,-1.5064567171,0.0907152548,0.0907152548,GGA+U,R-3m,A2B9C14_hR75_166_c_ab2cd_c2h:Ba-Co-O,25.0,A2B9C14_hR75_166_c_ab2cd_c2h:Ba-Co-O +mp-1227941,BaCoO2,-6.5894256475,-1.8592581081,0.2226005892,0.1953896969,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:Ba-Co-O,4.0,ABC2_tP4_123_a_d_e:Ba-Co-O +mp-19086,BaCoO2,-6.8120262367,-2.0818586973,0.0,-0.0272108923,GGA+U,P3_121,ABC2_hP12_152_a_b_c:Ba-Co-O,12.0,ABC2_hP12_152_a_b_c:Ba-Co-O +mp-1232313,BaCoO2,-6.087592515,-1.3574249756,0.7244337217,0.6972228294,GGA+U,Fd-3m,ABC2_cF32_227_b_a_c:Ba-Co-O,8.0,ABC2_cF32_227_b_a_c:Ba-Co-O +mp-30201,Ba8(CoO3)7,-6.7893612338,-2.0951810387,0.0245080684,0.0245080684,GGA+U,Fdd2,A8B7C21_oF288_43_2a3b_a3b_a10b:Ba-Co-O,72.0,"Invalid WP multiplicities - A8B7C21_oF288_43_2a3b_a3b_a14b:Ba-Co-O, expected Ba8Co7O29 to be Ba8(CoO3)7" +mp-1204343,Ba3Ge9O22,-6.8792100668,-2.2853475032,0.0507524763,0.0507524763,GGA,P2,A3B9C22_mP68_3_3e_ac8e_abcd20e:Ba-Ge-O,68.0,A3B9C22_mP68_3_3e_ad8e_abcd20e:Ba-Ge-O +mp-28961,Co10Ge3O16,-7.2102847883,-1.5516888953,0.0075163409,0.0075163409,GGA+U,R-3m,A10B3C16_hR87_166_adh_bc_2c2h:Co-Ge-O,29.0,"Invalid WP multiplicities - A10B3C16_hR87_166_adh_bc_4c2h:Co-Ge-O, expected Co10Ge3O20 to be Co10Ge3O16" +mp-27878,NaSb5O8,-6.1964443546,-1.8006556987,0.0001141889,0.0001141889,GGA,P-1,AB8C5_aP28_2_i_8i_5i:Na-O-Sb,28.0,AB8C5_aP28_2_i_8i_5i:Na-O-Sb +mp-773599,NaSb3O8,-6.3281440604,-1.8878908351,0.0085819058,-0.0216302867,GGA,P2_1/c,AB8C3_mP48_14_e_8e_3e:Na-O-Sb,48.0,"Invalid WP multiplicities - AB8C3_mP48_14_e_31e_11e:Na-O-Sb, expected NaSb11O31 to be NaSb3O8" +mp-753000,NaSb3O8,-6.3367259662,-1.896472741,0.0,-0.0302121925,GGA,P2_1/c,AB8C3_mP24_14_a_4e_de:Na-O-Sb,24.0,"Invalid WP multiplicities - AB8C3_mP24_14_a_13e_2b2e:Na-O-Sb, expected Na(Sb3O13)2 to be NaSb3O8" +mp-755654,NaSb3O8,-6.2660056879,-1.8257524626,0.0707202783,0.0405080858,GGA,Ibam,AB8C3_oI48_72_a_2jk_bj:Na-O-Sb,24.0,"Invalid WP multiplicities - AB8C3_oI48_72_a_3j2k_b2j:Na-O-Sb, expected NaSb5O14 to be NaSb3O8" +mp-759876,Na5SbO5,-5.0756040364,-1.8505975579,0.0010061132,0.0010061132,GGA,C2,A5B5C_mC22_5_b2c_a2c_a:Na-O-Sb,11.0,"Invalid WP multiplicities - A5B5C_mC22_12_c3i_a3i_b:Na-O-Sb, expected Na7SbO7 to be Na5SbO5" +mp-1101682,Na5SbO5,-5.0752855,-1.8502790215,0.0013246495,0.0013246495,GGA,C2/m,A5B5C_mC22_12_c2i_b2i_a:Na-O-Sb,11.0,"Invalid WP multiplicities - A5B5C_mC22_12_c3i_a3i_b:Na-O-Sb, expected Na7SbO7 to be Na5SbO5" +mp-1102539,Na8SbO3,-3.40635038,-0.9439112366,0.2686187842,0.2686187842,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:Na-O-Sb,12.0,A8B3C_cP12_221_g_c_a:Na-O-Sb +mp-30972,Na2Sb4O7,-5.9939938619,-1.8564648984,0.0,-0.0310377671,GGA,C2/c,A2B7C4_mC52_15_f_e3f_2f:Na-O-Sb,26.0,"Invalid WP multiplicities - A2B7C4_mC52_15_f_e7f_2f:Na-O-Sb, expected Na2Sb4O15 to be Na2Sb4O7" +mp-779589,Na3Sb5O14,-6.1815962261,-1.914949679,0.0565059073,0.0565059073,GGA,Pba2,A3B14C5_oP88_32_3c_2a13c_5c:Na-O-Sb,88.0,"Invalid WP multiplicities - A3B14C5_oP88_32_9c_4a50c_17c:Na-O-Sb, expected Na9Sb17O52 to be Na3Sb5O14" +mp-779294,Na3Sb5O14,-6.169182248,-1.9025357008,0.0689198855,0.0689198855,GGA,Pbam,A3B14C5_oP88_55_2gh_e2g3h4i_g2hi:Na-O-Sb,88.0,"Invalid WP multiplicities - A3B14C5_oP88_55_2g7h_2e12g6h16i_7g2h4i:Na-O-Sb, expected Na9Sb17O52 to be Na3Sb5O14" +mp-7404,Na3SbO4,-5.4917616281,-2.0063451325,0.0,-0.0898608737,GGA,P2/c,A3B4C_mP16_13_e2f_2g_e:Na-O-Sb,16.0,"Invalid WP multiplicities - A3B4C_mP16_13_2e3f_2g_e:Na-O-Sb, expected Na5SbO4 to be Na3SbO4" +mp-1210742,NaSbO12,-5.0111167332,-0.3817030855,0.3545237004,0.3545237004,GGA,P4_2/n,AB12C_tP28_86_a_3g_b:Na-O-Sb,28.0,AB12C_tP28_86_a_3g_b:Na-O-Sb +mp-1210533,NaSbO12,-4.1342854754,0.4951281724,1.2313549583,1.2313549583,GGA,Fd-3m,AB12C_cF112_227_a_g_b:Na-O-Sb,28.0,AB12C_cF112_227_a_g_b:Na-O-Sb +mp-760994,NaSbO3,-6.0540982473,-1.9957797139,0.0656552867,-0.0413434907,GGA,P-1,AB3C_aP30_2_ae2i_9i_3i:Na-O-Sb,30.0,"Invalid WP multiplicities - AB3C_aP30_2_ae3i_17i_5i:Na-O-Sb, expected Na4Sb5O17 to be NaSbO3" +mp-752755,NaSbO3,-6.0681694565,-2.0098509231,0.0515840775,-0.0554146999,GGA,Pnna,AB3C_oP20_52_c_de_c:Na-O-Sb,20.0,"Invalid WP multiplicities - AB3C_oP20_52_c_2d3e_c:Na-O-Sb, expected NaSbO8 to be NaSbO3" +mp-22212,NaSbO3,-6.027857919,-1.9695393856,0.091895615,-0.0151031624,GGA,Pnma,AB3C_oP20_62_c_cd_a:Na-O-Sb,20.0,AB3C_oP20_62_c_cd_a:Na-O-Sb +mp-4482,NaSbO3,-6.119753534,-2.0614350006,0.0,-0.1069987774,GGA,R-3,AB3C_hR30_148_c_f_c:Na-O-Sb,10.0,AB3C_hR30_148_c_f_c:Na-O-Sb +mp-20011,NaSbO3,-6.064616287,-2.0062977536,0.055137247,-0.0518615304,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Na-O-Sb,20.0,AB3C_cF80_227_c_f_d:Na-O-Sb +mp-1180855,NaSbO7,-4.9028477467,-0.4496980231,0.6955436439,0.6955436439,GGA,Cmc2_1,AB7C_oC36_36_a_3a2b_a:Na-O-Sb,18.0,"Invalid WP multiplicities - AB7C_oC36_36_a_5a5b_a:Na-O-Sb, expected NaSbO15 to be NaSbO7" +mp-1188545,NaSbO7,-4.7609207161,-0.3077709925,0.8374706744,0.8374706744,GGA,Cmc2_1,AB7C_oC36_36_a_3a2b_a:Na-O-Sb,18.0,"Invalid WP multiplicities - AB7C_oC36_36_a_5a5b_a:Na-O-Sb, expected NaSbO15 to be NaSbO7" +mp-557087,NaSbMoO5,-7.1415853056,-2.0127577807,0.0340403637,0.0340403637,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Mo-Na-O-Sb,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_18e_e:Mo-Na-O-Sb, expected NaSbMoO18 to be NaSbMoO5" +mp-760311,Na7SbO6,-4.8011319843,-1.7249312299,0.0382487489,0.0382487489,GGA,R3,A7B6C_hR42_146_a2b_2b_a:Na-O-Sb,14.0,"Invalid WP multiplicities - A7B6C_hR42_146_a4b_4b_a:Na-O-Sb, expected Na13SbO12 to be Na7SbO6" +mp-774074,Na2Sb4O11,-6.2156431376,-1.8877236453,0.0572674074,0.0572674074,GGA,C2,A2B11C4_mC68_5_2c_2a10c_4c:Na-O-Sb,34.0,"Invalid WP multiplicities - A2B11C4_mC68_5_3c_2a19c_7c:Na-O-Sb, expected Na3Sb7O20 to be Na2Sb4O11" +mp-1176373,Na2Sb4O11,-6.2241529562,-1.8962334638,0.0487575888,0.0487575888,GGA,C2/m,A2B11C4_mC68_12_2i_g4i3j_2ij:Na-O-Sb,34.0,"Invalid WP multiplicities - A2B11C4_mC68_12_3i_g8i5j_4ij:Na-O-Sb, expected Na3Sb6O19 to be Na2Sb4O11" +mp-780683,Na2Sb4O11,-6.2579279935,-1.9300085011,0.0149825515,0.0149825515,GGA,R-3c,A2B11C4_hR102_167_c_cef_be:Na-O-Sb,34.0,"Invalid WP multiplicities - A2B11C4_hR102_167_c_3c5e6f_2b3e:Na-O-Sb, expected Na2Sb11O57 to be Na2Sb4O11" +mp-850814,NaSbO2,-5.690553125,-1.854327136,0.0035764539,0.0035764539,GGA,Pbca,AB2C_oP32_61_c_2c_c:Na-O-Sb,32.0,"Invalid WP multiplicities - AB2C_oP32_61_c_5c_c:Na-O-Sb, expected NaSbO5 to be NaSbO2" +mp-8076,Na3SbO3,-5.1372387675,-1.8605754455,0.0,-0.0728157352,GGA,I-43m,A3B3C_cI56_217_g_g_c:Na-O-Sb,28.0,A3B3C_cI56_217_g_g_c:Na-O-Sb +mp-1194956,NaSbO6,-5.04198505,-0.6505276999,0.6378691755,0.6378691755,GGA,P4_2/n,AB6C_tP32_86_c_3g_d:Na-O-Sb,32.0,AB6C_tP32_86_c_3g_d:Na-O-Sb +mp-1197324,NaSbO6,-5.0449065481,-0.653449198,0.6349476773,0.6349476773,GGA,P4_2/nnm,AB6C_tP32_134_e_mn_f:Na-O-Sb,32.0,AB6C_tP32_134_e_mn_f:Na-O-Sb +mp-752840,Na6SbO5,-4.734532075,-1.6680656953000002,0.0829937691,0.0829937691,GGA,Cmcm,A6B5C_oC48_63_efg_ch_c:Na-O-Sb,24.0,"Invalid WP multiplicities - A6B5C_oC48_63_ef2g_ch_c:Na-O-Sb, expected Na8SbO5 to be Na6SbO5" +mp-1176363,Na2Sb3O8,-6.1183899727,-1.9179619729,0.0919894964,0.0919894964,GGA,P4_332,A2B8C3_cP52_212_c_ce_d:Na-O-Sb,52.0,"Invalid WP multiplicities - A2B8C3_cP52_212_c_8c8e_d:Na-O-Sb, expected Na2Sb3O64 to be Na2Sb3O8" +mp-510567,Ce3CuSnS7,-6.2691055987,-1.6971726772,0.0,-0.0040460556,GGA,P6_3,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-S-Sn,24.0,A3BC7D_hP24_173_c_a_b2c_b:Ce-Cu-S-Sn +mp-1106406,Ce2SnS5,-6.3047060881,-1.7349561507,0.0,-0.0133851831,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Ce-S-Sn,16.0,A2B5C_oP16_55_h_agh_c:Ce-S-Sn +mp-1044042,CaSn3O7,-6.6171808436,-2.1934411687,0.1790160227,0.1790160227,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-O-Sn,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Ca-O-Sn, expected CaSn5O7 to be CaSn3O7" +mp-1386610,Ca2Sn3O8,-6.8332701092,-2.5553143388,0.0,-0.0068937908,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Sn,13.0,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Sn +mp-1042561,Ca2Sn3O8,-6.780167965,-2.5022121946,0.0531021442,0.0462083535,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Ca-O-Sn,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Ca-O-Sn, expected Ca2(SnO4)3 to be Ca2Sn3O8" +mp-27553,Ta2SnO7,-9.01799634,-2.7828015306,0.1852340495,0.1852340495,GGA,C2/c,A7BC2_mC40_15_e3f_e_f:O-Sn-Ta,20.0,"Invalid WP multiplicities - A7BC2_mC40_15_e4f_e_f:O-Sn-Ta, expected Ta2SnO9 to be Ta2SnO7" +mp-1045878,CaSn5O7,-6.1795393454,-1.8195177966,0.2147088692,0.2147088692,GGA,Cmcm,AB7C5_oC52_63_c_c3f_a2f:Ca-O-Sn,26.0,"Invalid WP multiplicities - AB7C5_oC52_63_c_c3f_a5f:Ca-O-Sn, expected CaSn11O7 to be CaSn5O7" +mp-1047987,Ca(SnO2)4,-6.5364108108,-2.10430335,0.1544456151,0.1544456151,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Ca-O-Sn,13.0,AB8C4_mC26_8_a_8a_4a:Ca-O-Sn +mp-1043673,Ca(SnO2)4,-6.5012866362,-2.0691791754,0.1895697897,0.1895697897,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-O-Sn,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-O-Sn, expected Ca(Sn2O7)2 to be Ca(SnO2)4" +mp-1374355,Ca(Sn2O3)2,-6.1392550709,-1.8007078375,0.3069530314,0.3069530314,GGA,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Ca-O-Sn,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Ca-O-Sn, expected Ca(Sn2O)6 to be Ca(Sn2O3)2" +mp-1331696,Ca2TaSnO6,-7.947524346,-2.9916561948,0.1077994428,0.1077994428,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Sn-Ta,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Ca-O-Sn-Ta, expected Ca3TaSnO18 to be Ca2TaSnO6" +mp-1045940,Ca2Ta2SnO8,-8.5855252992,-3.1001532558,0.1002377271,0.1002377271,GGA,C2/c,A2B8CD2_mC52_15_f_4f_e_f:Ca-O-Sn-Ta,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Ca-O-Sn-Ta, expected Ca2Ta2SnO10 to be Ca2Ta2SnO8" +mp-1182670,CaSnO3,-5.779489395,-1.6084418213,1.072005831,1.06288383,GGA,P-1,AB3C_aP10_2_i_3i_i:Ca-O-Sn,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Ca-O-Sn, expected CaSnO6 to be CaSnO3" +mp-4438,CaSnO3,-6.8374761195,-2.6664285458,0.0140191065,0.0048971055,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Sn,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Sn +mp-4190,CaSnO3,-6.851495226,-2.6804476523,0.0,-0.009122001,GGA,R-3,AB3C_hR30_148_c_f_c:Ca-O-Sn,10.0,AB3C_hR30_148_c_f_c:Ca-O-Sn +mp-7986,CaSnO3,-6.656275544,-2.4852279702,0.195219682,0.186097681,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Sn,5.0,AB3C_cP5_221_a_c_b:Ca-O-Sn +mp-546910,CaSnO3,-5.416595548,-1.2455479743,1.434899678,1.425777677,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-O-Sn,5.0,AB3C_cP5_221_b_c_a:Ca-O-Sn +mp-1045693,Ca2Sn9O13,-6.1885121883,-1.8383330341,0.2295509748,0.2295509748,GGA,C2/m,A2B13C9_mC48_12_i_a6i_d4i:Ca-O-Sn,24.0,A2B13C9_mC48_12_i_a6i_d4i:Ca-O-Sn +mp-1049297,Ca(SnO2)2,-6.4813658588,-2.2225803681,0.1578361119,0.1578361119,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sn,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sn +mp-1363159,Ca(SnO2)2,-6.5386470439,-2.2798615532,0.1005549268,0.1005549268,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Ca-O-Sn,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Ca-O-Sn, expected Ca4Sn11O24 to be Ca(SnO2)2" +mp-1350206,Ca(SnO2)2,-6.5469356357,-2.288150145,0.092266335,0.092266335,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Ca-O-Sn,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Ca-O-Sn, expected Ca(SnO2)3 to be Ca(SnO2)2" +mp-1044828,Ca(SnO2)2,-6.4600182738,-2.2012327831,0.1791836969,0.1791836969,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Ca-O-Sn,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a11b_6a6b:Ca-O-Sn, expected Ca3Sn9O17 to be Ca(SnO2)2" +mp-1042234,Ca(SnO2)2,-6.4786481079,-2.2198626171,0.1605538629,0.1605538629,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Ca-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Ca-O-Sn, expected CaSn3O7 to be Ca(SnO2)2" +mp-1344354,Ca(SnO2)2,-6.4589001504,-2.2001146596,0.1803018204,0.1803018204,GGA,Pca2_1,AB4C2_oP28_29_a_4a_2a:Ca-O-Sn,28.0,"Invalid WP multiplicities - AB4C2_oC28_36_a_13a_3a:Ca-O-Sn, expected CaSn3O13 to be Ca(SnO2)2" +mp-1041808,Ca(SnO2)2,-6.5058289571,-2.2470434664,0.1333730136,0.1333730136,GGA,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Sn,28.0,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Sn +mp-1047184,Ca(SnO2)2,-6.4683776521,-2.2095921614,0.1708243186,0.1708243186,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Sn,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-Sn +mp-1047397,Ca(SnO2)2,-6.3578859371,-2.0991004464,0.2813160336,0.2813160336,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Sn,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-Sn +mp-1041556,Ca(SnO2)2,-6.5703156114,-2.3115301207,0.0688863593,0.0688863593,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Ca-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Ca-O-Sn, expected Ca(SnO5)2 to be Ca(SnO2)2" +mp-1047007,Ca(SnO2)2,-6.4153269593,-2.1565414686,0.2238750114,0.2238750114,GGA,Imma,AB4C2_oI28_74_e_hi_ac:Ca-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_e_2h3i_ac:Ca-O-Sn, expected Ca(SnO5)2 to be Ca(SnO2)2" +mp-1044704,Ca(SnO2)2,-6.4434596957,-2.184674205,0.195742275,0.195742275,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Sn,14.0,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Sn +mp-1400944,Ca(SnO2)2,-6.3266672264,-2.0678817357,0.3125347443,0.3125347443,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Sn,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Sn +mp-1379010,CaSnO2,-6.3053805187,-2.3282432294,0.1976850981,0.1976850981,GGA,P1,AB2C_aP16_1_4a_8a_4a:Ca-O-Sn,16.0,AB2C_aP16_1_4a_8a_4a:Ca-O-Sn +mp-1045925,CaSnO2,-6.1971616413,-2.2200243519,0.3059039756,0.3059039756,GGA,P1,AB2C_aP16_1_4a_8a_4a:Ca-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-Sn, expected Ca2Sn3O7 to be CaSnO2" +mp-1376202,CaSnO2,-6.2408067838,-2.2636694944,0.2622588331,0.2622588331,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-Sn, expected Ca2Sn3O7 to be CaSnO2" +mp-1046012,CaSnO2,-6.2773620412,-2.3002247519,0.2257035756,0.2257035756,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-Sn, expected Ca2Sn3O7 to be CaSnO2" +mp-1201737,CaSnO6,-5.4679360775,-1.0060230772,0.6692567055,0.6692567055,GGA,Pn-3,AB6C_cP32_201_b_h_c:Ca-O-Sn,32.0,AB6C_cP32_201_b_h_c:Ca-O-Sn +mp-1197808,CaSnO6,-5.3680592506,-0.9061462503,0.7691335323,0.7691335323,GGA,Pn-3m,AB6C_cP32_224_b_k_c:Ca-O-Sn,32.0,AB6C_cP32_224_b_k_c:Ca-O-Sn +mp-1182179,CaSnO6,-5.369314395,-0.9074013947,0.7678783880000001,0.7678783880000001,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ca-O-Sn,8.0,AB6C_cF32_225_a_e_b:Ca-O-Sn +mp-8074,TaSnO3,-8.50414018,-2.3626570563,0.2989471735,0.2989471735,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sn-Ta,5.0,A3BC_cP5_221_c_a_b:O-Sn-Ta +mp-1392223,CaSn2O5,-6.6197874306,-2.2750140373,0.1964907756,0.1964907756,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-O-Sn,16.0,AB5C2_oP16_59_a_b2e_e:Ca-O-Sn +mp-1043016,CaSn2O5,-6.5457920037,-2.2010186105,0.2704862025,0.2704862025,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-Sn,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-Sn +mp-2654140,CaSn2O5,-6.7504451912,-2.405671798,0.065833015,0.065833015,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-Sn,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-Sn +mp-1041436,CaSn4O9,-6.6255712286,-2.1567079642,0.1591505864,0.1591505864,GGA,P4/n,AB9C4_tP28_85_c_a2g_g:Ca-O-Sn,28.0,AB9C4_tP28_85_c_a2g_g:Ca-O-Sn +mp-1377677,Ca2Sn2O5,-6.5273078356,-2.4424426104,0.1693297864,0.1693297864,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Ca-O-Sn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Ca-O-Sn, expected CaSnO6 to be Ca2Sn2O5" +mp-1173146,Ta4SnO12,-9.5353942376,-3.0176914782,0.1020568159,0.1020568159,GGA,P1,A12BC4_aP17_1_12a_a_4a:O-Sn-Ta,17.0,A12BC4_aP17_1_12a_a_4a:O-Sn-Ta +mp-35718,Ta4SnO12,-9.3820493671,-2.8643466076,0.2554016865,0.2554016865,GGA,Im-3m,A12BC4_cI34_229_h_a_c:O-Sn-Ta,17.0,A12BC4_cI34_229_h_a_c:O-Sn-Ta +mp-4747,Ca2SnO4,-6.8592790114,-2.8867752314,0.0,-0.02741104,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Ca-O-Sn,14.0,A2B4C_oP14_55_g_gh_b:Ca-O-Sn +mp-3593,Ta2Sn2O7,-8.6946251882,-2.6617597383,0.0543056614,0.0543056614,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sn-Ta,22.0,A7B2C2_cF88_227_af_c_d:O-Sn-Ta +mp-1374018,Ca3Sn2O7,-6.826686085,-2.7714557243,0.0293496825,0.0293496825,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-Sn,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Ca-O-Sn, expected Ca3Sn2O9 to be Ca3Sn2O7" +mp-29241,Ca3SnO,-4.76223349,-1.7676214488,0.0,-0.0565861075,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-O-Sn,5.0,A3BC_cP5_221_c_b_a:Ca-O-Sn +mp-1096832,Al4ZnS7,-5.0360623421,-1.2696293422,0.0553536506,0.0553536506,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:Al-S-Zn,24.0,A4B7C_oP24_31_2b_a3b_a:Al-S-Zn +mp-1228987,Al2(ZnS2)3,-4.4714248745,-1.1905992663,0.0240007833,0.0240007833,GGA,R3,A2B6C3_hR33_146_2a_3ab_b:Al-S-Zn,11.0,A2B6C3_hR33_146_2a_3ab_b:Al-S-Zn +mp-1215566,Zn5Se4S,-3.392399421,-0.9505180382,0.0233570696,0.0233570696,GGA,R3m,AB4C5_hR30_160_a_4a_5a:S-Se-Zn,10.0,AB4C5_hR30_160_a_4a_5a:S-Se-Zn +mp-1096823,Al12ZnS19,-5.0822672659,-1.1822922334,0.1635415171,0.1635415171,GGA,P6_3/mmc,A12B19C_hP64_194_ab2fk_efh2k_c:Al-S-Zn,64.0,A12B19C_hP64_194_ab2fk_efh2k_c:Al-S-Zn +mp-1228438,Al2ZnS4,-4.8549272843,-1.2411137504,0.060039805,0.0375265155,GGA,Pm,A2B4C_mP7_6_2a_2a2b_b:Al-S-Zn,7.0,A2B4C_mP7_6_2a_2a2b_b:Al-S-Zn +mp-1247884,Al2ZnS4,-4.7705747486,-1.1567612146,0.1443923407,0.1218790512,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Al-S-Zn,7.0,A2B4C_mC14_8_2a_4a_a:Al-S-Zn +mp-1247837,Al2ZnS4,-4.9015734411,-1.2877599071,0.0133936482,-0.0091196413,GGA,Pmn2_1,A2B4C_oP56_31_4b_8a4b_4a:Al-S-Zn,56.0,"Invalid WP multiplicities - A2B4C_oP56_31_16b_16a14b_8a:Al-S-Zn, expected Al8Zn2S11 to be Al2ZnS4" +mp-1096809,Al2ZnS4,-4.8230711404,-1.2092576064,0.0918959489,0.0693826594,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Al-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Al-S-Zn +mp-1096810,Al2ZnS4,-4.9103271229,-1.2965135889,0.0046399664,-0.0178733231,GGA,I-4,A2B4C_tI14_82_ac_g_b:Al-S-Zn,7.0,A2B4C_tI14_82_ac_g_b:Al-S-Zn +mp-1096814,Al2ZnS4,-4.8035091029,-1.1896955689,0.1114579864,0.0889446969,GGA,P3m1,A2B4C_hP7_156_ac_2a2b_b:Al-S-Zn,7.0,A2B4C_hP7_156_ac_2a2b_b:Al-S-Zn +mp-1078069,Al2ZnS4,-4.8013582229,-1.1875446889,0.1136088664,0.0910955769,GGA,R3m,A2B4C_hR21_160_2a_4a_a:Al-S-Zn,7.0,A2B4C_hR21_160_2a_4a_a:Al-S-Zn +mp-1096817,Al2ZnS4,-4.7898884307,-1.1760748968,0.1250786586,0.102565369,GGA,R3m,A2B4C_hR42_160_4a_8a_2a:Al-S-Zn,14.0,A2B4C_hR42_160_4a_8a_2a:Al-S-Zn +mp-1096822,Al2ZnS4,-4.7691305279,-1.1553169939,0.1458365614,0.1233232719,GGA,P-3m1,A2B4C_hP14_164_cd_4d_d:Al-S-Zn,14.0,A2B4C_hP14_164_cd_4d_d:Al-S-Zn +mp-1096816,Al2ZnS4,-4.7994309386000005,-1.1856174046,0.1155361507,0.0930228612,GGA,R-3m,A2B4C_hR21_166_c_2c_a:Al-S-Zn,7.0,A2B4C_hR21_166_c_2c_a:Al-S-Zn +mp-1096818,Al2ZnS4,-4.8019198286,-1.1881062946,0.1130472607,0.0905339712,GGA,P6_3mc,A2B4C_hP14_186_2b_2a2b_a:Al-S-Zn,14.0,A2B4C_hP14_186_2b_2a2b_a:Al-S-Zn +mp-4842,Al2ZnS4,-4.9149670893,-1.3011535554,0.0,-0.0225132895,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Al-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Al-S-Zn +mp-1228522,Al2Zn2S5,-4.6446812122,-1.2343602995,0.0138994467,0.0138994467,GGA,P2_1,A2B5C2_mP18_4_2a_5a_2a:Al-S-Zn,18.0,"Invalid WP multiplicities - A2B5C2_mP18_4_3a_10a_4a:Al-S-Zn, expected Al3(Zn2S5)2 to be Al2Zn2S5" +mp-1096787,Al2Zn2S5,-4.5425925289,-1.1322716162,0.1159881301,0.1159881301,GGA,R3m,A2B5C2_hR27_160_2a_5a_2a:Al-S-Zn,9.0,A2B5C2_hR27_160_2a_5a_2a:Al-S-Zn +mp-1096785,Al2Zn2S5,-4.5054586589,-1.0951377462,0.1531220001,0.1531220001,GGA,P-3m1,A2B5C2_hP9_164_d_a2d_d:Al-S-Zn,9.0,A2B5C2_hP9_164_d_a2d_d:Al-S-Zn +mp-1096789,Al2Zn2S5,-4.5010549356,-1.0907340228,0.1575257234,0.1575257234,GGA,R-3m,A2B5C2_hR27_166_c_a2c_c:Al-S-Zn,9.0,A2B5C2_hR27_166_c_a2c_c:Al-S-Zn +mp-1096794,Al2Zn2S5,-4.5456244961,-1.1353035834,0.1129561629,0.1129561629,GGA,P6_3mc,A2B5C2_hP18_186_ab_5b_2b:Al-S-Zn,18.0,A2B5C2_hP18_186_ab_5b_2b:Al-S-Zn +mp-1096793,Al2Zn2S5,-4.5008813878,-1.0905604751,0.1576992712,0.1576992712,GGA,P6_3/mmc,A2B5C2_hP18_194_f_c2f_e:Al-S-Zn,18.0,A2B5C2_hP18_194_f_c2f_e:Al-S-Zn +mp-1215430,Zn2SeS,-3.53436621,-0.9964040689,0.0109421539,0.0109421539,GGA,P-4m2,ABC2_tP4_115_a_c_g:S-Se-Zn,4.0,ABC2_tP4_115_a_c_g:S-Se-Zn +mp-1215446,Zn2SeS,-3.5310792025,-0.9931170614,0.0142291614,0.0142291614,GGA,R3m,ABC2_hR12_160_a_a_2a:S-Se-Zn,4.0,ABC2_hR12_160_a_a_2a:S-Se-Zn +mp-1215580,Zn5SeS4,-3.659548988,-1.0255060885,0.0153112493,0.0153112493,GGA,I-4m2,A4BC5_tI20_119_2e_a_c2f:S-Se-Zn,10.0,"Invalid WP multiplicities - A4BC5_tI20_119_3e_a_c3f:S-Se-Zn, expected Zn7SeS6 to be Zn5SeS4" +mp-1228479,Al2Zn(SeS)2,-4.6226286686,-1.191826103,0.0091376496,0.0091376496,GGA,C2,A2B2C2D_mC14_5_ab_c_c_a:Al-S-Se-Zn,7.0,A2B2C2D_mC14_5_ab_c_c_a:Al-S-Se-Zn +mp-1228455,Al2Zn(SeS)2,-4.5792783829,-1.1484758173,0.0524879354,0.0524879354,GGA,Pm,A2B2C2D_mP7_6_2a_ab_ab_b:Al-S-Se-Zn,7.0,A2B2C2D_mP7_6_2a_ab_ab_b:Al-S-Se-Zn +mp-1225867,Er4Fe34C3,-8.1998673002,-0.0550479623,0.018600121,0.018600121,GGA,P-1,A3B4C34_aP41_2_ci_2i_ab16i:C-Er-Fe,41.0,"Invalid WP multiplicities - A3B4C34_aP41_2_ci_4i_ab30i:C-Er-Fe, expected Er8Fe62C3 to be Er4Fe34C3" +mp-1025354,Er2Fe2Si2C,-7.2736946429,-0.6801544154,0.0,-0.0810536893,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Er-Fe-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Er-Fe-Si +mp-1196963,Er15Si9C,-5.764480853,-0.7015884565,0.0,-0.0087670684,GGA,P6_3mc,AB15C9_hP50_186_b_3cd_3c:C-Er-Si,50.0,AB15C9_hP50_186_b_3cd_3c:C-Er-Si +mp-1206739,ErFe2SiC,-7.755490697,-0.5231417465,0.0,-0.0470336557,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Er-Fe-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Er-Fe-Si +mp-1018064,ErFeC2,-8.151493205,-0.2777254537,0.0,-0.0077713631,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Er-Fe,4.0,A2BC_oC8_38_d_b_a:C-Er-Fe +mp-1225238,Er2Fe17C,-8.160908513,-0.0431853289,0.0251837772,0.0251837772,GGA,C2/m,AB2C17_mC40_12_a_i_deg2i2j:C-Er-Fe,20.0,"Invalid WP multiplicities - AB2C17_mC40_12_a_i_df2g3i3j:C-Er-Fe, expected Er2Fe25C to be Er2Fe17C" +mp-1226131,Er15Fe8C25,-7.9429287883,-0.2972498479,0.0034927368,0.0034927368,GGA,P3,A25B15C8_hP48_143_a8d_5d_bc2d:C-Er-Fe,48.0,A25B15C8_hP48_143_a8d_5d_bc2d:C-Er-Fe +mp-567623,Er2Fe14C,-8.1359871868,-0.0804342425,0.0,-0.0116583645,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:C-Er-Fe,68.0,"Invalid WP multiplicities - AB2C14_tP68_136_f_2f2g_3c4e13j23k:C-Er-Fe, expected Er4Fe125C to be Er2Fe14C" +mp-1191671,Er2Fe17C3,-8.3052781868,-0.0865602474,0.0014850463,0.0014850463,GGA,R-3m,A3B2C17_hR66_166_e_c_cdfh:C-Er-Fe,22.0,A3B2C17_hR66_166_e_c_cdfh:C-Er-Fe +mp-1212962,Er2Fe17C3,-8.3057415286,-0.0870235892,0.0010217045,0.0010217045,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Er-Fe,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Er-Fe +mp-1225168,Er20Si12C,-5.7181089379,-0.6972950575,0.0,-0.00281741,GGA,P2/m,AB20C12_mP33_10_a_ijklmn2o_mn2o:C-Er-Si,33.0,"Invalid WP multiplicities - AB20C12_mP33_10_a_2ij2kl2m2n6o_2m2n6o:C-Er-Si, expected Er44Si32C to be Er20Si12C" +mp-652550,Er5Si3C,-5.9342414524,-0.5627732710000001,0.1030395338,0.1030395338,GGA,P-3m1,AB5C3_hP162_164_abc4def_gh9i2j_9i:C-Er-Si,162.0,"Invalid WP multiplicities - AB5C3_hP162_164_ab2c8d3e3f_5g6h52i22j_46i:C-Er-Si, expected Er321(Si69C10)2 to be Er5Si3C" +mp-1189015,Er5Si3C,-5.9744613183,-0.6029931369,0.0628196678,0.0628196678,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Er-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Er-Si +mp-1225775,Er2Fe17C2,-8.2381812629,-0.067556064,0.0111196165,0.0111196165,GGA,C2/m,A2B2C17_mC42_12_e_i_afh2i2j:C-Er-Fe,21.0,"Invalid WP multiplicities - A2B2C17_mC42_12_f_i_ae2h3i3j:C-Er-Fe, expected Er2Fe25C2 to be Er2Fe17C2" +mp-9977,Er2FeC4,-8.0971076464,-0.3085189607,0.0,-0.0316120681,GGA,Ibam,A4B2C_oI28_72_2j_j_a:C-Er-Fe,14.0,A4B2C_oI28_72_2j_j_a:C-Er-Fe +mp-1111932,K2LiScCl6,-4.533384133,-2.3780431504,0.0089832758,0.0089832758,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sc +mp-1205615,La2Co2I,-5.813532742,-0.7011295120000001,0.0,-0.1152336208,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Co-I-La,10.0,A2BC2_hP10_194_f_c_e:Co-I-La +mp-1210943,Rb2La10Co2I17,-4.4419708471,-1.5198739847,0.0,-0.017102337,GGA,C2/m,A2B17C10D2_mC62_12_i_a2i3j_3ij_g:Co-I-La-Rb,31.0,A2B17C10D2_mC62_12_i_a2i3j_3ij_g:Co-I-La-Rb +mp-27517,Rb2CoI4,-3.2922601543,-1.1547099629,0.0,-0.0274617786,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Co-I-Rb,14.0,AB4C2_mP14_11_e_2ef_2e:Co-I-Rb +mp-1209667,Rb2LaI5,-3.6005243228,-1.8175359478,0.0,-0.0224657766,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:I-La-Rb,32.0,A5BC2_oP32_62_3cd_c_d:I-La-Rb +mp-1223204,La7CoI12,-4.5412835205,-1.574245334,0.0,-0.0090230442,GGA,R3,AB12C7_hR60_146_a_4b_a2b:Co-I-La,20.0,AB12C7_hR60_146_a_4b_a2b:Co-I-La +mp-1113149,Cs2AsAuF6,-4.390485304,-2.2712174086,0.2229602645,0.2229602645,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:As-Au-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:As-Au-Cs-F +mp-1234039,CaSm4Tm4O12,-8.2872368705,-3.6137344587,0.1832958651,0.1832958651,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-Tm +mp-1234897,CaSm4Tm4O12,-8.2555153,-3.5820128882,0.2150174356,0.2150174356,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-Tm +mp-1233509,CaSm4Tm4O12,-8.1741634614,-3.5006610496,0.2963692741,0.2963692741,GGA,Pm,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Ca-O-Sm-Tm,21.0,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Ca-O-Sm-Tm +mp-1234552,CaSm4Tm4O12,-8.178876829,-3.5053744172,0.2916559065,0.2916559065,GGA,Pm,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Ca-O-Sm-Tm,21.0,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Ca-O-Sm-Tm +mp-754240,CaSm2O4,-8.0895823686,-3.6282213693,0.0756201016,0.0756201016,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Sm,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Sm +mp-776439,SmTmO3,-8.733400844,-3.9265033056,0.0516059674,0.0516059674,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sm-Tm,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Sm-Tm, expected SmTmO7 to be SmTmO3" +mp-754410,CaTm2O4,-8.2110833139,-3.8190796608,0.0496095664,0.0496095664,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Tm,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ca-O-Tm, expected CaTm5O13 to be CaTm2O4" +mp-754429,CaTm2O4,-8.2004302721,-3.808426619,0.0602626082,0.0602626082,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Tm,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_a2c2f_f:Ca-O-Tm, expected CaTm2O7 to be CaTm2O4" +mp-1178472,CaTm2O4,-8.2355507193,-3.8435470662,0.0251421611,0.0251421611,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Tm,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Tm +mp-1183538,CaTmO3,-7.233149296,-2.9688490086,0.4014559552,0.4014559552,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Tm,5.0,AB3C_cP5_221_a_c_b:Ca-O-Tm +mp-3384,Er3Al5O12,-8.3025453143,-3.7129803085,0.0,-0.0330589399,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Er-O,80.0,A5B3C12_cI160_230_ad_c_h:Al-Er-O +mp-1225098,Er(AlCr)6,-6.6546291092,-0.1192861392,0.0957568111,0.0957568111,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cr-Er,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cr-Er +mp-1101893,ErCrO4,-8.4302948867,-2.7623746992,0.0228291467,-0.0328407931,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Cr-Er-O,12.0,ABC4_tI24_88_a_b_f:Cr-Er-O +mp-19240,ErCrO4,-8.4531240333,-2.7852038458,0.0,-0.0556699398,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Er-O,12.0,ABC4_tI24_141_a_b_h:Cr-Er-O +mp-680636,Er(Al10Cr)2,-4.4321165239,-0.1371021609,0.0147765896,0.0147765896,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Er,46.0,"Invalid WP multiplicities - A20B2C_cF184_227_4c6f9g_d_a:Al-Cr-Er, expected Er(Al76Cr)2 to be Er(Al10Cr)2" +mp-762236,Al3CrO6,-8.203834577,-3.1468438542,0.0154797203,0.0154797203,GGA+U,Pc,A3BC6_mP20_7_3a_a_6a:Al-Cr-O,20.0,"Invalid WP multiplicities - A3BC6_mP20_7_6a_a_12a:Al-Cr-O, expected Al6CrO12 to be Al3CrO6" +mp-1228485,Al3CrO6,-8.205701962,-3.1487112392,0.0136123353,0.0136123353,GGA+U,R3,A3BC6_hR30_146_3a_a_2b:Al-Cr-O,40.0,A3BC6_hR30_146_3a_a_2b:Al-Cr-O +mp-19063,ErCrO3,-9.049514932,-3.2373484493,0.0,-0.02474414,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Er-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Er-O +mp-1345463,AlCrO3,-8.3687851905,-2.7210473038,0.176285461,0.176285461,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Cr-O,20.0,ABC3_oP20_62_c_a_cd:Al-Cr-O +mp-1383064,AlCrO3,-7.202312774,-1.5545748873,1.3427578775,1.3427578775,GGA+U,P4/mmm,ABC3_tP5_123_c_b_ae:Al-Cr-O,5.0,ABC3_tP5_123_c_b_ae:Al-Cr-O +mp-1251690,AlCrO3,-8.192928276,-2.5451903892,0.3521423755,0.3521423755,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Cr-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Cr-O +mp-1385937,AlCrO3,-8.170159632,-2.5224217453,0.3749110195,0.3749110195,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Cr-O,10.0,ABC3_hP10_194_a_c_bf:Al-Cr-O +mp-1213534,ErCr2O2,-7.8649919005,-1.111553666,1.3201816415,1.3201816415,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Er-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Er-O +mp-757340,Al19CrO30,-7.9546090194,-3.3702160279,0.0041001944,0.0041001944,GGA+U,P1,A19BC30_aP50_1_19a_a_30a:Al-Cr-O,50.0,A19BC30_aP50_1_19a_a_30a:Al-Cr-O +mp-1104146,Er(Al2Cr)4,-5.8387903008,-0.2122891215,0.0136234266,0.0136234266,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Er,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Er +mp-1048826,AlCr3O6,-8.7955205763,-2.5570355255,0.0753064295,0.0753064295,GGA+U,P-3m1,AB3C6_hP40_164_cd_adfi_c2d3i:Al-Cr-O,40.0,"Invalid WP multiplicities - AB3C6_hP40_164_c2d_a2d3f3i_2c4d17i:Al-Cr-O, expected Al3Cr16O57 to be AlCr3O6" +mp-1226597,Er6Al41Cr6,-4.7837624588,-0.2763434642,0.0,-0.0104497327,GGA,P-31m,A41B6C6_hP106_162_hij5k3l_abhk_2k:Al-Cr-Er,106.0,A41B6C6_hP106_162_hij5k3l_abhk_2k:Al-Cr-Er +mp-753658,AlCrO4,-7.91728301,-2.3863866525,0.1243870401,0.1243870401,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Al-Cr-O,6.0,"Invalid WP multiplicities - ABC4_oC12_65_a_c_2g2j:Al-Cr-O, expected AlCrO8 to be AlCrO4" +mp-1229068,AlCr3O8,-7.9974862292,-1.9743005683,0.3053608067,0.3053608067,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Al-Cr-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2c2h:Al-Cr-O, expected AlCr3O16 to be AlCr3O8" +mp-1201665,Er6Al43Cr4,-4.5491823892,-0.2646868528,0.0,-0.0099968806,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Er,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Er +mp-1262197,Al2Cr2O7,-7.87819228,-2.2941861365,0.4192044417,0.4192044417,GGA+U,C2/m,A2B2C7_mC44_12_ace_bdf_3i2j:Al-Cr-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_abcd_efgh_13i:Al-Cr-O, expected Al2Cr2O13 to be Al2Cr2O7" +mp-1375270,Al2Cr2O7,-7.8050871841,-2.2210810406,0.4923095376,0.4923095376,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Cr-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Cr-O +mp-1213214,Er3Al3Cr2O12,-8.6297550029,-3.4494428331,0.0,-0.0137149987,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Al-Cr-Er-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Al-Cr-Er-O +mp-1390510,AlCr2O4,-8.24836379,-2.1285887021,0.5045897358,0.5045897358,GGA+U,C2/c,AB2C4_mC28_15_e_ac_2f:Al-Cr-O,14.0,AB2C4_tI28_88_a_d_f:Al-Cr-O +mp-1253889,AlCr2O4,-8.2915144914,-2.1717394036,0.4614390344,0.4614390344,GGA+U,C2/c,AB2C4_mC28_15_e_ac_2f:Al-Cr-O,14.0,AB2C4_mC28_15_e_ac_2f:Al-Cr-O +mp-1393022,AlCr2O4,-8.6260593007,-2.5062842129,0.1268942251,0.1268942251,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Al-Cr-O,14.0,AB2C4_cF56_227_a_d_e:Al-Cr-O +mp-756851,AlCr2O4,-8.6110588936,-2.4912838057,0.1418946323,0.1418946323,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Cr-O,14.0,AB2C4_cF56_227_a_d_e:Al-Cr-O +mp-1205208,Al2Cr4O19,-6.9502122148000005,-1.3465951326,0.3578131115,0.3578131115,GGA+U,P2/c,A2B4C19_mP50_13_af_2g_e9g:Al-Cr-O,50.0,A2B4C19_mP50_13_af_2g_e9g:Al-Cr-O +mp-756458,ErAlO3,-8.3947958515,-3.7641236968,0.0178320447,0.0178320447,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Er-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-Er-O, expected ErAlO7 to be ErAlO3" +mp-754184,ErAlO3,-8.326985139,-3.6963129843,0.0856427572,0.0856427572,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Al-Er-O,10.0,"Invalid WP multiplicities - ABC3_hP10_194_c_a_b2f:Al-Er-O, expected ErAlO5 to be ErAlO3" +mp-1184150,ErAlO3,-8.226557722,-3.5958855672,0.1860701742,0.1860701742,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Er-O,5.0,ABC3_cP5_221_b_a_c:Al-Er-O +mp-773505,Al2CrO5,-8.1117280188,-2.877022683,0.0856834654,0.0856834654,GGA+U,C2/c,A2BC5_mC32_15_f_a_e2f:Al-Cr-O,16.0,"Invalid WP multiplicities - A2BC5_mC32_15_f_c_2e5f:Al-Cr-O, expected Al2CrO12 to be Al2CrO5" +mp-754713,Al2CrO5,-8.1069378422,-2.8722325064,0.090473642,0.090473642,GGA+U,Cmcm,A2BC5_oC32_63_f_c_c2f:Al-Cr-O,32.0,A2BC5_oC32_63_f_c_c2f:Al-Cr-O +mp-29993,TaAgF6,-6.3271005244000005,-3.0571995946,0.0,-0.0683939606,GGA,P4_2/mcm,AB6C_tP16_132_b_io_c:Ag-F-Ta,16.0,"Invalid WP multiplicities - AB6C_tP16_132_b_i2o_c:Ag-F-Ta, expected TaAgF10 to be TaAgF6" +mp-28375,Ta2AgF12,-6.460122784,-3.1610655258,0.0,-0.0140685817,GGA,P-1,AB12C2_aP15_2_a_6i_i:Ag-F-Ta,15.0,"Invalid WP multiplicities - AB12C2_aP15_2_a_7i_i:Ag-F-Ta, expected Ta2AgF14 to be Ta2AgF12" +mp-1219778,Rb2TaF7,-6.225554371,-3.5056345163,0.0,-0.211582891,GGA,Pmmn,A7B2C_oP20_59_aeg_ab_a:F-Rb-Ta,20.0,A7B2C_oP20_59_aeg_ab_a:F-Rb-Ta +mp-1111828,Rb2TaAgF6,-5.514615987,-2.7025884287,0.3318822623,0.3318822623,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ta +mp-1210283,Rb3TaF12,-4.7581084119,-2.3995379458,0.2738171497,0.2738171497,GGA,C2/m,A12B3C_mC32_12_3j_ce_a:F-Rb-Ta,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_d:F-Rb-Ta, expected Rb3TaF40 to be Rb3TaF12" +mp-1113823,Rb3TaF6,-5.525835008,-2.8990096427000003,0.239204918,0.239204918,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Ta,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Ta +mp-1199497,CsMo3I7,-4.8498349382,-0.8729333789,0.0010173341,0.0010173341,GGA,P-31c,AB7C3_hP44_163_bc_f2i_i:Cs-I-Mo,44.0,AB7C3_hP44_163_bc_f2i_i:Cs-I-Mo +mp-571531,Cs3Mo2I9,-3.7592509914,-1.0708363853,0.0522289867,0.0522289867,GGA,P6_3/mmc,A3B9C2_hP28_194_bf_hk_f:Cs-I-Mo,28.0,"Invalid WP multiplicities - A3B9C2_hP28_194_2b2f_5h6k_f:Cs-I-Mo, expected Cs6Mo2I51 to be Cs3Mo2I9" +mp-1213398,CsMo3I3Cl4,-5.3524166316,-1.239089505,0.0087510385,0.0087510385,GGA,P31c,A4BC3D3_hP44_159_2b2c_ab_2c_2c:Cl-Cs-I-Mo,44.0,A4BC3D3_hP44_159_2b2c_ab_2c_2c:Cl-Cs-I-Mo +mp-1225492,Eu2MnP3Pt7,-7.6467867315,-0.8457206045000001,0.0,-0.0433133838,GGA,I-4m2,A2BC3D7_tI26_119_e_a_ce_be2f:Eu-Mn-P-Pt,13.0,"Invalid WP multiplicities - A2BC3D7_tI26_119_e_a_ce_be3f:Eu-Mn-P-Pt, expected Eu2Mn(PPt3)3 to be Eu2MnP3Pt7" +mp-21474,Eu(MnP)2,-8.593954008,-0.7124265285,0.0114821453,0.0114821453,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-Mn-P,5.0,AB2C2_hP5_164_a_d_d:Eu-Mn-P +mp-560657,RbLa9(IrO6)4,-8.101797295,-2.8523535106,0.0,-0.0112326513,GGA,I4/m,A4B9C24D_tI76_87_ce_ai_2eh2i_b:Ir-La-O-Rb,38.0,"Invalid WP multiplicities - A4B9C24D_tI76_87_2ce_a2i_3e3h12i_b:Ir-La-O-Rb, expected RbLa17(IrO19)6 to be RbLa9(IrO6)4" +mp-1198098,La3IrO7,-8.3548662553,-3.0572956668,0.0210003183,-0.0328112918,GGA,P2_1/c,AB3C7_mP88_14_2e_6e_14e:Ir-La-O,88.0,AB3C7_mP88_14_2e_6e_14e:Ir-La-O +mp-1191066,La3IrO7,-8.3758665736,-3.0782959851,0.0,-0.0538116101,GGA,Cmcm,AB3C7_oC44_63_a_bg_cgh:Ir-La-O,22.0,AB3C7_oC44_63_a_bg_cgh:Ir-La-O +mp-7972,RbLaO2,-6.9140284025,-2.9615487525,0.0,-0.1146350305,GGA,R-3m,AB2C_hR12_166_a_c_b:La-O-Rb,4.0,AB2C_hR12_166_a_c_b:La-O-Rb +mp-9612,La3Ir3O11,-8.0836051157,-2.4520227817,0.0,-0.0148638369,GGA,Pn-3,A3B3C11_cP68_201_g_be_efh:Ir-La-O,68.0,"Invalid WP multiplicities - A3B3C11_cP68_201_g_be_2ef3h:Ir-La-O, expected La3Ir3O25 to be La3Ir3O11" +mp-13800,Cs2NaTlF6,-4.419356616,-2.7248719171,0.0,-0.0458583175,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Tl +mp-650715,Gd2Be2GeO7,-9.4923103575,-3.2522337705,0.0,-0.0203925587,GGA,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Be-Gd-Ge-O,24.0,"Invalid WP multiplicities - A2B2CD7_tP24_113_e_e_a_2c4e3f:Be-Gd-Ge-O, expected Gd2Be2GeO22 to be Gd2Be2GeO7" +mp-1192538,K(SnAs)3,-4.1264732468,-0.2526918572,0.0,-0.0318176163,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:As-K-Sn,28.0,A3BC3_oP28_62_3c_c_3c:As-K-Sn +mp-1224063,K4Ba2SnAs4,-3.4882137455,-0.6767963688,0.0,-0.0447876045,GGA,Cc,A4B2C4D_mC44_9_4a_2a_4a_a:As-Ba-K-Sn,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_9_7a_4a_7a_a:As-Ba-K-Sn, expected K7Ba4SnAs7 to be K4Ba2SnAs4" +mp-16989,K5SnAs3,-3.0515980139,-0.4361622578,0.0,-0.0387057624,GGA,P2_1/c,A3B5C_mP36_14_3e_5e_e:As-K-Sn,36.0,A3B5C_mP36_14_3e_5e_e:As-K-Sn +mp-3481,KSnAs,-3.656096675,-0.3964002727,0.0,-0.038133632,GGA,P6_3mc,ABC_hP6_186_b_b_a:As-K-Sn,6.0,ABC_hP6_186_b_b_a:As-K-Sn +mp-962073,KBaSn,-2.3174946433,0.028820604,0.4972498473,0.4972498473,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-K-Sn,3.0,ABC_cF12_216_a_c_b:Ba-K-Sn +mp-28728,K6Sn3As5,-3.4327627705,-0.4337126797,0.0,-0.0163698552,GGA,Pmmn,A5B6C3_oP56_59_2aefg_abe2g_2ef:As-K-Sn,56.0,"Invalid WP multiplicities - A5B6C3_oP56_59_2a2ef2g_abe2g_3ef:As-K-Sn, expected K3(SnAs2)2 to be K6Sn3As5" +mp-1111457,CsRb2MoF6,-5.407515076,-2.8904156328,0.0,-0.0007573638,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Mo-Rb +mp-1113829,Rb3MoF6,-5.454042544,-2.9284299308,0.0,-0.0971423215,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Mo-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Mo-Rb +mp-1212754,Gd(ClO4)3,-5.9026406797,-0.9662658825,0.0,-0.101345442,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Gd-O,32.0,A3BC12_hP32_176_h_c_2hi:Cl-Gd-O +mp-1079326,GdClO2,-8.7314047425,-2.2768956619000003,0.4078323032,0.4078323032,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-Gd-O,8.0,ABC2_mP8_11_e_e_2e:Cl-Gd-O +mp-23050,GdClO,-10.4358496617,-3.4787337912,0.0,-0.1137666256,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Gd-O,6.0,ABC_tP6_129_c_c_a:Cl-Gd-O +mp-1222800,LaGd(ClO)2,-8.96608848,-3.5323251321,0.0095432767,0.0095432767,GGA,P4mm,A2BCD2_tP6_99_ab_a_b_c:Cl-Gd-La-O,6.0,A2BCD2_tP6_99_ab_a_b_c:Cl-Gd-La-O +mp-1222917,LaGd3(ClO)4,-9.7003709517,-3.5049313425,0.0053697575,0.0053697575,GGA,Amm2,A4B3CD4_oC24_38_2ae_ae_a_2bd:Cl-Gd-La-O,12.0,A4B3CD4_oC24_38_2ae_ae_a_2bd:Cl-Gd-La-O +mp-1223064,La3Gd(ClO)4,-8.2408973267,-3.56881024,0.0046254775,0.0046254775,GGA,Pmm2,A4BC3D4_oP12_25_acf_a_cf_bde:Cl-Gd-La-O,12.0,A4BC3D4_oP12_25_acf_a_cf_bde:Cl-Gd-La-O +mp-1102874,Ca3(ClO3)2,-5.20448617,-1.6232129675,0.4875141664,0.4875141664,GGA,P31m,A3B2C6_hP11_157_c_b_abc:Ca-Cl-O,11.0,A3B2C6_hP11_157_c_b_abc:Ca-Cl-O +mp-1212662,GaClO,-5.2544786558,-1.9800381912,0.0,-0.0222263547,GGA,Pca2_1,ABC_oP12_29_a_a_a:Cl-Ga-O,12.0,ABC_oP12_29_a_a_a:Cl-Ga-O +mp-3080,Ca5(Ga3O7)2,-6.6595287292,-2.7615200295,0.0007669658,0.0007669658,GGA,Cmc2_1,A5B6C14_oC100_36_a2b_2a2b_4a5b:Ca-Ga-O,50.0,A5B6C14_oC100_36_a2b_2a2b_4a5b:Ca-Ga-O +mp-7367,Ca(GaO2)2,-6.6141687123,-2.635804888,0.0040479574,0.0040479574,GGA,P2_1/c,AB2C4_mP56_14_2e_4e_8e:Ca-Ga-O,56.0,AB2C4_mP56_14_2e_4e_8e:Ca-Ga-O +mp-559849,Ca(GaO2)2,-6.6155575993,-2.637193775,0.0026590705,0.0026590705,GGA,Pna2_1,AB2C4_oP56_33_2a_4a_8a:Ca-Ga-O,56.0,"Invalid WP multiplicities - AB2C4_oP56_33_6a_13a_31a:Ca-Ga-O, expected Ca6Ga13O31 to be Ca(GaO2)2" +mp-4959,Ca(GaO2)2,-6.5676745529,-2.5893107286,0.0505421169,0.0505421169,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Ga-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Ga-O +mp-23326,Ca4Cl6O,-5.0838422723,-2.8965415276,0.0,-0.001560385,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ca-Cl-O,22.0,A4B6C_hP22_186_bc_2c_b:Ca-Cl-O +mp-17914,CaGa4O7,-6.5689170883,-2.5068500093,0.0,-0.0227536217,GGA,C2/c,AB4C7_mC48_15_e_2f_e3f:Ca-Ga-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_15_e_3f_e3f:Ca-Ga-O, expected CaGa6O7 to be CaGa4O7" +mp-726702,CaClO,-5.2368875483,-2.3032791312,0.2672736336,0.2672736336,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ca-Cl-O,6.0,ABC_hP6_186_b_b_a:Ca-Cl-O +mp-1103164,Ca2GaClO8,-4.9550162242,-0.9165710465,0.8596428787,0.8596428787,GGA,R-3,A2BCD8_hR36_148_c_a_b_cf:Ca-Cl-Ga-O,12.0,A2BCD8_hR36_148_c_a_b_cf:Ca-Cl-Ga-O +mp-16433,Ca2Ga2O5,-6.6358545861,-2.7690951015,0.0335154896,0.0335154896,GGA,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Ga-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Ga-O +mp-768870,Ca(ClO3)2,-5.1290847022,-1.1976618725,0.0,-0.1750535266,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ca-Cl-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_3e_21e:Ca-Cl-O, expected Ca(ClO7)3 to be Ca(ClO3)2" +mp-755481,Ca(ClO3)2,-5.10088061,-1.1694577803,0.0282040922,-0.1468494344,GGA,C2/c,AB2C6_mC36_15_e_f_3f:Ca-Cl-O,18.0,"Invalid WP multiplicities - AB2C6_mC36_15_e_f_11f:Ca-Cl-O, expected Ca(ClO11)2 to be Ca(ClO3)2" +mp-753813,Ca(ClO3)2,-5.116093655,-1.1846708253,0.0129910472,-0.1620624794,GGA,Fdd2,AB2C6_oF72_43_a_b_3b:Ca-Cl-O,18.0,"Invalid WP multiplicities - AB2C6_oF72_43_a_b_9b:Ca-Cl-O, expected Ca(ClO9)2 to be Ca(ClO3)2" +mp-29226,Ca3Ga4O9,-6.6551913558,-2.7396049726,0.0,-0.0052813113,GGA,Cmm2,A3B4C9_oC96_35_adef_de2f_bc2d2e4f:Ca-Ga-O,48.0,"Invalid WP multiplicities - A3B4C9_oC96_35_adef_de2f_bc2d2e5f:Ca-Ga-O, expected Ca9Ga12O31 to be Ca3Ga4O9" +mp-1214234,Ca(ClO)2,-4.441356878,-1.3221467535,0.5178495473,0.5178495473,GGA,Ccce,AB2C2_oC40_68_c_i_i:Ca-Cl-O,20.0,AB2C2_oC40_68_c_i_i:Ca-Cl-O +mp-1105258,Ca(ClO2)2,-4.5322753693,-0.8909285057,0.5361385198,0.5361385198,GGA,P-1,AB2C4_aP14_2_i_2i_4i:Ca-Cl-O,14.0,AB2C4_aP14_2_i_2i_4i:Ca-Cl-O +mp-1181836,Ca(ClO2)2,-4.4817126636,-0.8403657999999999,0.5867012255,0.5867012255,GGA,P-1,AB2C4_aP14_2_i_2i_4i:Ca-Cl-O,14.0,AB2C4_aP14_2_i_2i_4i:Ca-Cl-O +mp-561366,Ca(ClO2)2,-4.8782072657,-1.2368604021,0.1902066233,0.1902066233,GGA,Ccce,AB2C4_oC28_68_a_e_i:Ca-Cl-O,14.0,AB2C4_oC28_68_a_e_i:Ca-Cl-O +mp-531553,Li5GeN3,-4.9484989149,-0.5954848079,0.0,-0.0763795924,GGA,P1,AB5C3_aP144_1_16a_80a_48a:Ge-Li-N,144.0,AB5C3_aP144_1_16a_80a_48a:Ge-Li-N +mp-1020059,LiGe2N3,-6.5367822125,-0.5093716539,0.0,-0.127767954,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ge-Li-N,12.0,A2BC3_oC24_36_b_a_ab:Ge-Li-N +mp-1247194,SrGe7N10,-6.8568115675,-0.3337205848,0.0164385638,0.0164385638,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Ge-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:Ge-N-Sr +mp-1029497,SrGeN2,-6.4548601958,-0.7084824062,0.0,-0.1017555568,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ge-N-Sr,64.0,AB2C_oP64_61_2c_4c_2c:Ge-N-Sr +mp-581913,Sr11(Ge2N3)2,-4.8502729264,-0.702867738,0.0178209147,0.0178209147,GGA,P4/nbm,A4B6C11_tP42_125_bch_gm_ag2m:Ge-N-Sr,42.0,"Invalid WP multiplicities - A4B6C11_tP42_125_2b2c2h_3g2m_2a3g11m:Ge-N-Sr, expected Sr26Ge4N7 to be Sr11(Ge2N3)2" +mp-1246434,Sr3(GeN2)2,-5.8366497208,-0.5410368575,0.2218238563,0.2218238563,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Ge-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Ge-N-Sr +mp-1029776,Li2GeN2,-5.5917280625,-0.5689553748,0.0,-0.0079158285,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ge-Li-N,20.0,AB2C2_mP20_14_e_2e_2e:Ge-Li-N +mp-601326,Sr6Ge5N2,-4.5430884677,-0.7026969412,0.0,-0.0022483581,GGA,Pmmn,A5B2C6_oP26_59_a2e_e_ab2e:Ge-N-Sr,26.0,"Invalid WP multiplicities - A5B2C6_oP26_59_2a4e_e_2a2b7e:Ge-N-Sr, expected Sr9Ge5N to be Sr6Ge5N2" +mp-1246370,Sr4GeN4,-5.7227959583,-0.7531313619000001,0.0141721113,0.0141721113,GGA,C2/c,AB4C4_mC36_15_e_2f_2f:Ge-N-Sr,18.0,"Invalid WP multiplicities - AB4C4_mC36_15_e_2f_3f:Ge-N-Sr, expected Sr6GeN4 to be Sr4GeN4" +mp-1246832,Sr4GeN4,-5.6519247753,-0.6822601788,0.0850432944,0.0850432944,GGA,Pnna,AB4C4_oP36_52_c_2e_cde:Ge-N-Sr,36.0,AB4C4_oP36_52_c_2e_cde:Ge-N-Sr +mp-571046,Sr5(GeN3)2,-6.0043844577,-0.7957311864000001,0.0,-0.0060730744,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Sr,26.0,"Invalid WP multiplicities - A2B6C5_mC52_15_f_8f_2e6f:Ge-N-Sr, expected Sr7GeN8 to be Sr5(GeN3)2" +mp-29088,Sr3(GeN)2,-5.1954096014,-0.7686201843,0.0,-0.0103876617,GGA,P2_1/m,A2B2C3_mP14_11_2e_2e_3e:Ge-N-Sr,14.0,A2B2C3_mP14_11_2e_2e_3e:Ge-N-Sr +mp-568338,Sr2GeN2,-5.7356907735,-0.8006898512,0.0056735087,-0.0144475155,GGA,Cmce,AB2C2_oC40_64_f_2f_2f:Ge-N-Sr,20.0,"Invalid WP multiplicities - AB2C2_oC40_64_f_6f_5f:Ge-N-Sr, expected Sr5GeN6 to be Sr2GeN2" +mp-29089,Sr2GeN2,-5.7413642823,-0.8063633599000001,0.0,-0.0201210242,GGA,P4_2/mbc,AB2C2_tP40_135_h_2h_2h:Ge-N-Sr,40.0,AB2C2_tP40_135_h_2h_2h:Ge-N-Sr +mp-567371,Sr3Li4(GeN3)2,-5.5197686627,-0.7218221902,0.0,-0.0222092655,GGA,C2/m,A2B4C6D3_mC30_12_i_j_ij_ah:Ge-Li-N-Sr,15.0,"Invalid WP multiplicities - A2B4C6D3_mC30_12_i_j_i2j_ah:Ge-Li-N-Sr, expected Sr3Li4(GeN5)2 to be Sr3Li4(GeN3)2" +mp-568436,Sr7GeN6,-5.4886528521,-0.7409063108,0.0,-0.006309108,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Ge-N-Sr,56.0,"Invalid WP multiplicities - AB6C7_oP56_60_c_18d_4c20d:Ge-N-Sr, expected Sr44GeN36 to be Sr7GeN6" +mp-1246553,LiGeN,-5.3681018333,-0.4119532844,0.0621761946,0.0621761946,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Li-N,12.0,ABC_oP12_62_c_c_c:Ge-Li-N +mp-1246087,LiGeN,-5.3767054483,-0.4205568994,0.0535725796,0.0535725796,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ge-Li-N,6.0,ABC_hP6_186_a_b_b:Ge-Li-N +mp-1245458,Sr11(GeN5)2,-5.4019602872,-0.567376246,0.1838593892,0.1838593892,GGA,P4_2/mnm,A2B10C11_tP46_136_f_3fi_ag2i:Ge-N-Sr,46.0,A2B10C11_tP46_136_f_3fi_ag2i:Ge-N-Sr +mp-769077,Mg2Te3O8,-6.0750984023,-2.0594070585,0.0,-0.0210098059,GGA,C2/c,A2B8C3_mC52_15_f_4f_ef:Mg-O-Te,26.0,A2B8C3_mC52_15_f_4f_ef:Mg-O-Te +mp-1210588,MgTeO4,-6.1511847842,-2.0627946528,0.0,-0.0495900989,GGA,P2/c,AB4C_mP12_13_e_2g_f:Mg-O-Te,12.0,AB4C_mP12_13_e_2g_f:Mg-O-Te +mp-557829,Lu2Te5O13,-6.6609140153,-2.2076448276,0.0,-0.0160439939,GGA,P-1,A2B13C5_aP40_2_2i_13i_5i:Lu-O-Te,40.0,A2B13C5_aP40_2_4i_26i_10i:Lu-O-Te +mp-3118,Mg3TeO6,-6.3120877365,-2.5496599054,0.0,-0.090366994,GGA,R-3,A3B6C_hR60_148_f_2f_ab:Mg-O-Te,20.0,A3B6C_hR60_148_f_2f_ab:Mg-O-Te +mp-768893,Mg2(TeO3)3,-6.0139982766,-1.9318071208,0.0686385981,0.0686385981,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Mg-O-Te,56.0,"Invalid WP multiplicities - A2B9C3_mP56_14_5e_33e_11e:Mg-O-Te, expected Mg5(TeO3)11 to be Mg2(TeO3)3" +mp-752452,Mg3Te4O11,-6.0108588092,-2.0226566121,0.0737834038,0.0737834038,GGA,P-1,A3B11C4_aP36_2_3i_11i_4i:Mg-O-Te,36.0,"Invalid WP multiplicities - A3B11C4_aP36_2_5i_20i_7i:Mg-O-Te, expected Mg5Te7O20 to be Mg3Te4O11" +mp-771566,Lu2TeO6,-7.6351631744,-2.9834588188,0.0799245867,-0.0152901641,GGA,C2/c,A2B6C_mC72_15_2ef_6f_f:Lu-O-Te,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_3e2f_19f_f:Lu-O-Te, expected Lu7(TeO19)2 to be Lu2TeO6" +mp-752526,Lu2TeO6,-7.7050112997,-3.0533069441,0.0100764614,-0.0851382894,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Lu-O-Te,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Lu-O-Te, expected Lu5TeO21 to be Lu2TeO6" +mp-756389,Lu2TeO6,-7.6734376956,-3.0217333399,0.0416500656,-0.0535646852,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Lu-O-Te,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Lu-O-Te, expected Lu2TeO16 to be Lu2TeO6" +mp-755515,Lu2TeO6,-7.7150877611,-3.0633834055,0.0,-0.0952147507,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Lu-O-Te,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_3e2f_15g_a2d:Lu-O-Te, expected Lu3TeO18 to be Lu2TeO6" +mp-1210955,Mg6Te5O16,-6.1259987256,-2.2569161646,0.0,-0.0010383425,GGA,Pnma,A6B16C5_oP108_62_3d_4c6d_3cd:Mg-O-Te,108.0,A6B16C5_oP108_62_3d_4c6d_3cd:Mg-O-Te +mp-1042084,MgTe2O7,-5.7475254245,-1.496154143,0.2785767945,0.2785767945,GGA,P2_1,AB7C2_mP20_4_a_7a_2a:Mg-O-Te,20.0,AB7C2_mP20_4_a_7a_2a:Mg-O-Te +mp-1234466,Lu4Mg(Te5O13)2,-6.5504281902,-2.1667441035,0.0868596535,0.0868596535,GGA,P1,A4BC26D10_aP41_1_4a_a_26a_10a:Lu-Mg-O-Te,41.0,A4BC26D10_aP41_1_4a_a_26a_10a:Lu-Mg-O-Te +mp-1202045,Lu2(TeO3)3,-6.9893377661,-2.4899079717,0.0,-0.0034229682,GGA,P-1,A2B9C3_aP84_2_6i_27i_9i:Lu-O-Te,84.0,A2B9C3_aP84_2_6i_27i_9i:Lu-O-Te +mp-755804,Lu6TeO12,-8.3699339111,-3.6526037243,0.0,-0.0305580478,GGA,R-3,A6B12C_hR57_148_f_2f_a:Lu-O-Te,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:Lu-O-Te, expected Lu6TeO42 to be Lu6TeO12" +mp-5746,MgTe2O5,-6.0237515106,-1.9462095865,0.007474432,0.007474432,GGA,Pbcn,AB5C2_oP32_60_c_c2d_d:Mg-O-Te,32.0,AB5C2_oP32_60_c_c2d_d:Mg-O-Te +mp-542676,Lu2Te4O11,-6.7845631856,-2.3122866893,0.0115841388,0.0115841388,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Lu-O-Te,34.0,A2B11C4_mC68_15_f_e5f_2f:Lu-O-Te +mp-1206029,Ba2TmTaO6,-8.600185049,-3.6150155289,0.0,-0.0705110614,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tm +mp-769931,Tm3TaO7,-9.343204735,-3.896649746,0.0106392489,0.0106392489,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Ta-Tm,22.0,"Invalid WP multiplicities - A7BC3_oC44_20_6b3c_a_a2c:O-Ta-Tm, expected Tm5TaO12 to be Tm3TaO7" +mp-779096,Tm3TaO7,-9.328593198,-3.882038209,0.0252507859,0.0252507859,GGA,Pnma,A7BC3_oP44_62_c3d_c_cd:O-Ta-Tm,44.0,"Invalid WP multiplicities - A7BC3_oP44_62_4c9d_c_3c2d:O-Ta-Tm, expected Tm7TaO22 to be Tm3TaO7" +mp-779012,Tm3TaO7,-9.3121497018,-3.8655947128,0.041694282,0.041694282,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Ta-Tm,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c2g2h_a_b2g:O-Ta-Tm, expected Tm5TaO13 to be Tm3TaO7" +mp-12933,TmTaO4,-9.7721722217,-3.7521109053,0.0,-0.0733046606,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Ta-Tm,12.0,A4BC_mP12_13_2g_e_f:O-Ta-Tm +mp-756898,TmTaO4,-9.7552937746,-3.7352324582,0.0168784471,-0.0564262135,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Ta-Tm,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:O-Ta-Tm, expected TmTaO11 to be TmTaO4" +mp-768176,TmTaO4,-9.6867784933,-3.6667171769,0.0853937283,0.0120890678,GGA,Cmc2_1,A4BC_oC24_36_4a_a_a:O-Ta-Tm,12.0,"Invalid WP multiplicities - A4BC_oC24_36_7a_a_a:O-Ta-Tm, expected TmTaO7 to be TmTaO4" +mp-1076063,Sm2Co2O5,-7.9950762806,-2.6187150121,0.0983567924,0.0983567924,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Co-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Co-O-Sm +mp-690550,Co7(RuO6)2,-7.4047989081,-1.3254039471,0.014784059,0.014784059,GGA+U,P1,A7B12C2_aP42_1_14a_24a_4a:Co-O-Ru,42.0,A7B12C2_aP42_1_14a_24a_4a:Co-O-Ru +mp-675115,Co7(RuO6)2,-7.3722284867,-1.2928335257,0.0473544805,0.0473544805,GGA+U,C2/c,A7B12C2_mC84_15_ace2f_6f_f:Co-O-Ru,42.0,"Invalid WP multiplicities - A7B12C2_mC84_15_2a2c2e7f_22f_f:Co-O-Ru, expected Co10RuO22 to be Co7(RuO6)2" +mp-1208928,Sm2CoRuO6,-8.066573533,-2.5165710458,0.1093432554,0.1093432554,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-Ru-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Co-O-Ru-Sm +mp-754049,Co2RuO4,-7.2445246757,-1.0619828221,0.2973882214,0.2973882214,GGA+U,C2/c,A2B4C_mC56_15_acf_4f_be:Co-O-Ru,28.0,"Invalid WP multiplicities - A2B4C_mC56_15_2a2c3f_14f_2d2e:Co-O-Ru, expected Co5(RuO7)2 to be Co2RuO4" +mp-34586,Co2RuO4,-7.4470522564,-1.2645104029,0.0948606407,0.0948606407,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Ru,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_2hi_c:Co-O-Ru, expected Co2RuO6 to be Co2RuO4" +mp-531333,Co9Ru3O16,-7.1074000938,-1.0022184096,0.3427653559,0.3427653559,GGA+U,P-1,A9B16C3_aP56_2_acdh7i_16i_be2i:Co-O-Ru,56.0,"Invalid WP multiplicities - A9B16C3_aP56_2_acdh14i_30i_be4i:Co-O-Ru, expected Co16(RuO6)5 to be Co9Ru3O16" +mp-17113,Sm2Ru2O7,-8.2353366386,-2.5432640633,0.008066826,0.008066826,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Sm,22.0,A7B2C2_cF88_227_af_d_c:O-Ru-Sm +mp-530751,Co5RuO8,-7.2776180537,-1.2497965391,0.0807999484,0.0807999484,GGA+U,P-1,A5B8C_aP70_2_abe11i_20i_c2i:Co-O-Ru,70.0,"Invalid WP multiplicities - A5B8C_aP70_2_abe22i_38i_c3i:Co-O-Ru, expected Co47Ru7O76 to be Co5RuO8" +mp-1329603,Co5RuO8,-7.1601602957,-1.1323387811,0.1982577064,0.1982577064,GGA+U,P-1,A5B8C_aP70_2_bcd11i_20i_a2i:Co-O-Ru,70.0,"Invalid WP multiplicities - A5B8C_aP70_2_bcd22i_38i_a3i:Co-O-Ru, expected Co47Ru7O76 to be Co5RuO8" +mp-35690,Co5RuO8,-7.3456506979,-1.3178291832,0.0127673043,0.0127673043,GGA+U,R-3m,A5B8C_hR42_166_cd_ch_a:Co-O-Ru,14.0,"Invalid WP multiplicities - A5B8C_hR42_166_2cd_c2h_a:Co-O-Ru, expected Co7RuO14 to be Co5RuO8" +mp-1173620,Sm2CoO3,-7.7574227153,-2.5264966822,0.6924331874,0.6924331874,GGA+U,P1,AB3C2_aP30_1_5a_15a_10a:Co-O-Sm,30.0,AB3C2_aP30_1_5a_15a_10a:Co-O-Sm +mp-20016,SmCoO3,-7.906673629,-2.5732796162,0.0,-0.0240369439,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Co-O-Sm +mp-22549,SmCoO3,-7.776120518,-2.4427265052,0.130553111,0.1065161671,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Sm,5.0,AB3C_cP5_221_b_c_a:Co-O-Sm +mp-555525,Sm3RuO7,-8.4023551298,-3.1244476822,0.0,-0.0580153245,GGA,Pna2_1,A7BC3_oP88_33_14a_2a_6a:O-Ru-Sm,88.0,"Invalid WP multiplicities - A7BC3_oP88_33_53a_5a_20a:O-Ru-Sm, expected Sm20Ru5O53 to be Sm3RuO7" +mp-5779,Sm3RuO7,-8.3971959459,-3.1192884983,0.0051591839,-0.0528561407,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Ru-Sm,22.0,A7BC3_oC44_63_cgh_a_bg:O-Ru-Sm +mp-1209143,Sm2RuO5,-8.2876555234,-2.8570282277,0.1041104598,0.1041104598,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ru-Sm,32.0,A5BC2_oP32_62_5c_c_2c:O-Ru-Sm +mp-1210721,NdCr2O2,-7.787676106,-0.994152147,1.314153467,1.314153467,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Nd-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Nd-O +mp-1186240,Nd2Cr2O5,-8.7179869411,-2.7651165676,0.2631677314,0.2631677314,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Cr-Nd-O,9.0,A2B2C5_tP9_123_h_ab_ci:Cr-Nd-O +mp-1222944,LaNd3Cr4O12,-9.014086147,-3.1534409561,0.0028603172,0.0028603172,GGA+U,Pm,A4BC3D12_mP20_6_2c_a_a2b_2a2b4c:Cr-La-Nd-O,20.0,"Invalid WP multiplicities - A4BC3D12_mP20_6_4c_a_a2b_2a2b8c:Cr-La-Nd-O, expected LaNd3Cr8O20 to be LaNd3Cr4O12" +mp-19269,NdCrO3,-8.9948583315,-3.1426061243,0.0,-0.0677751927,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Nd-O +mp-19062,NdCrO3,-8.851744172,-2.9994919648,0.1431141595,0.0753389668,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Nd-O,5.0,ABC3_cP5_221_b_a_c:Cr-Nd-O +mp-1223135,La3NdCr4O12,-9.0530985245,-3.1756673664,0.0080242052,0.0080242052,GGA+U,Pm,A4B3CD12_mP20_6_2c_a2b_a_2a2b4c:Cr-La-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_mP20_6_4c_a2b_a_2a2b8c:Cr-La-Nd-O, expected La3NdCr8O20 to be La3NdCr4O12" +mp-1203182,NdCrO5,-7.8811717373,-2.2876519575,0.0606651586,0.0606651586,GGA+U,P2_1/c,ABC5_mP56_14_2e_2e_10e:Cr-Nd-O,56.0,ABC5_mP56_14_2e_2e_10e:Cr-Nd-O +mp-19126,NdCrO4,-8.44102826,-2.7397033021,0.0,-0.0958204418,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Nd-O,12.0,ABC4_tI24_141_a_b_h:Cr-Nd-O +mp-572456,YbGeBiO5,-6.6177410831,-2.2756699805,0.0102378877,0.0102378877,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ge-O-Yb,,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ge-O-Yb, expected YbGeBiO31 to be YbGeBiO5" +mp-937870,YbBiO3,-2.910346328,1.1336863808,3.520110397,3.472102468,GGA,P1,AB3C_aP40_1_8a_24a_8a:Bi-O-Yb,,AB3C_aP40_1_8a_24a_8a:Bi-O-Yb +mp-676312,YbBiO3,-6.3762087327,-2.332176024,0.0542479922,0.0062400632,GGA,P1,AB3C_aP40_1_8a_24a_8a:Bi-O-Yb,,AB3C_aP40_1_8a_24a_8a:Bi-O-Yb +mp-1101165,YbBiO3,-6.430456725,-2.3864240162,0.0,-0.048007929,GGA,R3c,AB3C_hR30_161_a_b_a:Bi-O-Yb,,AB3C_hR30_161_a_b_a:Bi-O-Yb +mp-22127,Yb2Ge2O7,-6.7523024959,-2.4839303824,0.0306026124,0.0306026124,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ge-O-Yb,,"Invalid WP multiplicities - A2B7C2_cF88_227_d_a2f_c:Ge-O-Yb, expected Yb2Ge2O13 to be Yb2Ge2O7" +mp-1100869,Yb7Bi17O36,-6.2710438953,-2.0352711158,0.0494381701,0.0494381701,GGA,P1,A17B36C7_aP60_1_17a_36a_7a:Bi-O-Yb,,A17B36C7_aP60_1_17a_36a_7a:Bi-O-Yb +mp-759324,Yb(Bi3O5)4,-6.1393224558,-1.6981329992,0.0615099823,0.0615099823,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Yb,,"Invalid WP multiplicities - A12B20C_cI66_197_f_6c6f_a:Bi-O-Yb, expected Yb(BiO8)12 to be Yb(Bi3O5)4" +mp-23352,Ge(Bi3O5)4,-6.2501901848,-1.7155637715,0.0003902441,0.0003902441,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Ge-O,33.0,A12BC20_cI66_197_f_a_2cf:Bi-Ge-O +mp-23560,Ge3(BiO3)4,-6.6045294268,-1.9418291837,0.0,-0.0261111929,GGA,I-43d,A4B3C12_cI76_220_c_a_e:Bi-Ge-O,38.0,A4B3C12_cI76_220_c_a_e:Bi-Ge-O +mp-865834,Yb3GeO,-4.722644614,-1.8849363328,0.0,-0.039636756,GGA,C2/c,ABC3_mC20_15_e_c_ef:Ge-O-Yb,,ABC3_mC20_15_e_a_ef:Ge-O-Yb +mp-675004,Ge6Bi7O22,-6.4883407317,-1.8183766549,0.1166239357,0.1166239357,GGA,P1,A7B6C22_aP35_1_7a_6a_22a:Bi-Ge-O,35.0,A7B6C22_aP35_1_7a_6a_22a:Bi-Ge-O +mp-1184562,GeBiO3,-6.117669014,-1.4569523903,0.3962490783,0.3962490783,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Ge-O,5.0,ABC3_cP5_221_a_b_c:Bi-Ge-O +mp-1207881,Yb4(GeO5)3,-6.0262672995,-1.7431833289,0.4727481576,0.4727481576,GGA,Cmcm,A3B15C4_oC88_63_ag_3c2g2h_2g:Ge-O-Yb,,A3B15C4_oC88_63_ag_3c2g2h_2g:Ge-O-Yb +mp-23446,GeBi2O5,-6.5075986894,-1.8779174805,0.0056782615,0.0056782615,GGA,Cmc2_1,A2BC5_oC32_36_b_a_a2b:Bi-Ge-O,16.0,"Invalid WP multiplicities - A2BC5_oC32_36_b_a_a3b:Bi-Ge-O, expected GeBi2O7 to be GeBi2O5" +mp-23553,GeBi2O5,-6.4821652997,-1.8524840908,0.0311116511,0.0311116511,GGA,Pnma,A2BC5_oP32_62_2c_c_5c:Bi-Ge-O,32.0,A2BC5_oP32_62_2c_c_5c:Bi-Ge-O +mp-29218,Ge3Bi2O9,-6.6998231675,-1.9805188656,0.0050541364,0.0050541364,GGA,P6_3/m,A2B3C9_hP28_176_f_h_hi:Bi-Ge-O,28.0,"Invalid WP multiplicities - A2B3C9_hP28_176_f_h_h2i:Bi-Ge-O, expected Ge3Bi2O15 to be Ge3Bi2O9" +mp-865758,YbGeO3,-6.966526748,-2.7659862942,0.0,-0.0670939987,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Yb,,AB3C_cP5_221_b_c_a:Ge-O-Yb +mp-1043033,Ge2BiO6,-6.5588044442,-1.8069514322,0.0837033021,0.0837033021,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Bi-Ge-O,36.0,AB2C6_mP36_14_e_2e_6e:Bi-Ge-O +mp-1042896,Ge2BiO6,-6.5836367444,-1.8317837325,0.0588710018,0.0588710018,GGA,C2/c,AB2C6_mC36_15_e_f_3f:Bi-Ge-O,18.0,AB2C6_mC36_15_e_f_3f:Bi-Ge-O +mp-29849,Ag3SnP7,-4.6334693455,-0.0516186717,0.0,-0.0256480411,GGA,P2_1/m,A3B7C_mP22_11_ef_e3f_e:Ag-P-Sn,22.0,A3B7C_mP22_11_ef_e3f_e:Ag-P-Sn +mp-1206152,Si(AgP)2,-4.455632536,-0.072225526,0.0028470003,0.0028470003,GGA,I-42d,A2B2C_tI20_122_d_d_a:Ag-P-Si,10.0,A2B2C_tI20_122_d_d_a:Ag-P-Si +mp-18310,Si3Ag3(SnP3)2,-4.7906776636,-0.12835046,0.0,-0.0424316636,GGA,I-43m,A3B6C3D2_cI56_217_e_g_d_c:Ag-P-Si-Sn,28.0,A3B6C3D2_cI56_217_e_g_d_c:Ag-P-Si-Sn +mp-36890,TaBi3O7,-7.3605406009,-2.0872618738,0.1605620055,0.1605620055,GGA,P1,A3B7C_aP11_1_3a_7a_a:Bi-O-Ta,11.0,A3B7C_mC22_8_3a_7a_a:Bi-O-Ta +mp-37030,TaBi3O7,-7.3604343536,-2.0871556265,0.1606682527,0.1606682527,GGA,Cm,A3B7C_mC22_8_3a_7a_a:Bi-O-Ta,11.0,A3B7C_mC22_8_3a_7a_a:Bi-O-Ta +mp-1208390,Ta6Bi2O19,-9.3349857457,-2.9344402067,0.0029345792,0.0029345792,GGA,P6_3/mcm,A2B19C6_hP54_193_d_gh2k_k:Bi-O-Ta,54.0,A2B19C6_hP54_193_d_gh2k_k:Bi-O-Ta +mp-1388761,Ta2Bi2O9,-8.0384855646,-2.1987369553,0.3050062674,0.3050062674,GGA,C2/m,A2B9C2_mC26_12_i_ahij_i:Bi-O-Ta,13.0,"Invalid WP multiplicities - A2B9C2_mC26_12_i_ahi2j_i:Bi-O-Ta, expected Ta2Bi2O13 to be Ta2Bi2O9" +mp-1345265,Ta2Bi2O9,-8.2534113485,-2.4136627391,0.0900804836,0.0900804836,GGA,Cmc2_1,A2B9C2_oC52_36_b_a4b_b:Bi-O-Ta,26.0,"Invalid WP multiplicities - A2B9C2_oC52_36_b_a15b_b:Bi-O-Ta, expected Ta2Bi2O31 to be Ta2Bi2O9" +mp-554564,Ta2Bi4Br7O2,-5.4409151152,-1.4514426144,0.0,-0.0071862835,GGA,P4/mnc,A4B7C2D2_tP120_128_2i_g2h2i_i_fh:Bi-Br-O-Ta,120.0,"Invalid WP multiplicities - A4B7C2D2_tP120_128_18i_7g15h25i_i_5f6h:Bi-Br-O-Ta, expected Ta11Bi36(Br36O)2 to be Ta2Bi4Br7O2" +mp-554207,TaBi4BrO8,-7.0003735612,-2.1184969777,0.0,-0.0021147666,GGA,Pbcn,A4BC8D_oP56_60_2d_a_4d_c:Bi-Br-O-Ta,56.0,"Invalid WP multiplicities - A4BC8D_oP56_60_10d_a_27d_c:Bi-Br-O-Ta, expected TaBi20BrO54 to be TaBi4BrO8" +mp-560261,TaBiO4,-8.6265587587,-2.7123884912,0.0,-0.0221735808,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Bi-O-Ta,24.0,"Invalid WP multiplicities - AB4C_aP24_2_4i_15i_3i:Bi-O-Ta, expected Ta3Bi4O15 to be TaBiO4" +mp-30900,TaBiO4,-8.62090039,-2.7067301225,0.0056583687,-0.0165152121,GGA,Pnna,AB4C_oP24_52_c_2e_d:Bi-O-Ta,24.0,AB4C_oP24_52_c_2e_d:Bi-O-Ta +mp-1043710,TaBiO5,-7.8722877332,-2.0963291166,0.2285753045,0.2285753045,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-Ta,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-Ta, expected TaBiO15 to be TaBiO5" +mp-1042409,TaBiO5,-7.6131889207,-1.8372303041,0.487674117,0.487674117,GGA,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-Ta,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-Ta, expected TaBiO31 to be TaBiO5" +mp-1196419,Ta3Bi7O18,-7.7606952543,-2.3500826256,0.0022975421,0.0022975421,GGA,P1,A7B18C3_aP56_1_14a_36a_6a:Bi-O-Ta,56.0,A7B18C3_aP56_1_14a_36a_6a:Bi-O-Ta +mp-581875,Ta3Bi7O18,-7.7593143327,-2.348701704,0.0036784637,0.0036784637,GGA,C2/m,A7B18C3_mC112_12_5ij_g7i5j_fj:Bi-O-Ta,56.0,"Invalid WP multiplicities - A7B18C3_mC112_12_10i2j_2g14i17j_2e3j:Bi-O-Ta, expected Ta4Bi7O25 to be Ta3Bi7O18" +mp-1200544,Ta3(Bi2O7)2,-8.2191553862,-2.4958729401,0.0400496785,0.0400496785,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Bi-O-Ta,42.0,A4B14C3_mC84_15_2f_7f_ef:Bi-O-Ta +mp-29680,Ta2Bi4O11,-7.9195099782,-2.4200342368,0.0,-0.006015282,GGA,P-1,A4B11C2_aP34_2_4i_11i_2i:Bi-O-Ta,34.0,A4B11C2_aP34_2_4i_11i_2i:Bi-O-Ta +mp-859110,Ta7BiO19,-9.8910671039,-3.1935849537,0.0069712291,0.0042086219,GGA,P6_322,AB19C7_hP54_182_c_2fg2i_di:Bi-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_182_c_7f6g11i_2d3i:Bi-O-Ta, expected Ta20BiO98 to be Ta7BiO19" +mp-1195166,Ta7BiO19,-9.898038333,-3.2005561828,0.0,-0.0027626071,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Bi-O-Ta,54.0,AB19C7_hP54_188_a_ghk2l_cl:Bi-O-Ta +mp-10412,Mn(SbS2)2,-5.4825975364,-0.6303379308,0.0133160943,0.0133160943,GGA,C2/m,AB4C2_mC28_12_ac_4i_2i:Mn-S-Sb,14.0,AB4C2_mC28_12_ac_4i_2i:Mn-S-Sb +mp-5807,Mn(SbS2)2,-5.4609872968,-0.6087276911,0.0349263339,0.0349263339,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mn-S-Sb,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_6c_2c:Mn-S-Sb, expected Mn(SbS3)2 to be Mn(SbS2)2" +mp-6637,MnAg4(SbS3)2,-4.5538992700000005,-0.4332115018,0.0439232428,0.0439232428,GGA,P2_1/c,A4BC6D2_mP26_14_2e_a_3e_e:Ag-Mn-S-Sb,26.0,"Invalid WP multiplicities - A4BC6D2_mP26_14_3e_a_5e_e:Ag-Mn-S-Sb, expected MnAg6(SbS5)2 to be MnAg4(SbS3)2" +mp-757032,Cs3ErO3,-5.3715049329,-2.2152203529,0.0091058554,0.0014478471,GGA,C2/m,A3BC3_mC28_12_ghi_i_ij:Cs-Er-O,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_2g2hi_i_2i3j:Cs-Er-O, expected Cs5ErO8 to be Cs3ErO3" +mp-1178430,Cs3ErO3,-5.3806107882,-2.2243262082,0.0,-0.0076580082,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Er-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:Cs-Er-O, expected Cs9ErO9 to be Cs3ErO3" +mp-1213354,CsEr(MoO4)2,-8.1100865496,-2.5494256252,0.0297962546,-0.0240454952,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Cs-Er-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Cs-Er-Mo-O +mp-1213685,CsEr(MoO4)2,-8.0601417162,-2.4994807919,0.0797410879,0.0258993381,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-Er-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-Er-Mo-O +mp-1213277,CsEr(MoO4)2,-8.1097264242,-2.5490654998,0.03015638,-0.0236853698,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Cs-Er-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Cs-Er-Mo-O +mp-1213682,CsEr(MoO4)2,-8.1398828042,-2.5792218798,0.0,-0.0538417498,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Cs-Er-Mo-O,12.0,ABC2D8_hP12_164_a_b_d_di:Cs-Er-Mo-O +mp-754055,CsErO2,-6.82650342,-2.9873787689,0.0009187998,0.0009187998,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Er-O,8.0,ABC2_hP8_194_c_a_f:Cs-Er-O +mp-685318,Bi15AsO25,-6.2156843147,-1.6807166772,0.0,-0.001883707,GGA,R3,AB15C25_hR492_146_4a_20b_10a30b:As-Bi-O,164.0,"Invalid WP multiplicities - AB15C25_hR492_146_4a_60b_10a80b:As-Bi-O, expected Bi90As2O125 to be Bi15AsO25" +mp-675654,Cd2Bi6O11,-5.6677441337,-1.4939393903,0.1058511774,0.1058511774,GGA,P1,A6B2C11_aP19_1_6a_2a_11a:Bi-Cd-O,19.0,A6B2C11_aP19_1_6a_2a_11a:Bi-Cd-O +mp-676923,Cd2Bi6O11,-5.6522030832,-1.4783983398,0.1213922279,0.1213922279,GGA,P1,A6B2C11_aP38_1_12a_4a_22a:Bi-Cd-O,38.0,A6B2C11_aP38_1_12a_4a_22a:Bi-Cd-O +mp-7128,Cd(AsO3)2,-6.1397859533,-1.7040905269,0.0,-0.0769656626,GGA,P-31m,A2BC6_hP9_162_c_b_k:As-Cd-O,9.0,A2BC6_hP9_162_c_b_k:As-Cd-O +mp-1202822,Cd5(AsO5)4,-5.2857815241,-1.0725161226,0.3126906848,0.3126906848,GGA,C2/c,A4B5C20_mC116_15_2f_e2f_10f:As-Cd-O,58.0,A4B5C20_mC116_15_2f_e2f_10f:As-Cd-O +mp-1042385,BiAs2O7,-6.2423358592,-1.4637811674,0.1478669804,0.1478669804,GGA,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Bi-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Bi-O +mp-1203464,Bi2AsO6,-6.2602943569,-1.5913800311,0.0844789369,0.0844789369,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:As-Bi-O,36.0,AB2C6_mP36_14_e_2e_6e:As-Bi-O +mp-13602,Cd3(AsO4)2,-5.6406776263000005,-1.6667994894,0.0,-0.0445935548,GGA,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Cd-O,52.0,A2B3C8_mP52_14_2e_3e_8e:As-Cd-O +mp-755478,CdBiO3,-5.373882152,-1.4531931473,0.0,-0.020777634,GGA,R3,ABC3_hR30_146_2a_2a_2b:Bi-Cd-O,10.0,ABC3_hR30_146_2a_2a_2b:Bi-Cd-O +mp-556653,Cd2BiAsO6,-5.6656655485,-1.6631136162,0.0,-0.0275820114,GGA,Cmc2_1,ABC2D6_oC40_36_a_a_b_2a2b:As-Bi-Cd-O,20.0,"Invalid WP multiplicities - ABC2D6_oC40_36_a_a_b_4a5b:As-Bi-Cd-O, expected Cd2BiAsO14 to be Cd2BiAsO6" +mp-1347378,BiAsO5,-6.0279547861,-1.2803760587,0.2412451648,0.2412451648,GGA,P2_12_12_1,ABC5_oP28_19_a_a_5a:As-Bi-O,28.0,ABC5_oP28_19_a_a_5a:As-Bi-O +mp-675991,Cd3(BiO2)10,-5.6828011055,-1.4371242932,0.121670953,0.121670953,GGA,C2,A10B3C20_mC66_5_5c_ac_10c:Bi-Cd-O,33.0,"Invalid WP multiplicities - A10B3C20_mC66_5_10c_ac_19c:Bi-Cd-O, expected Cd3(Bi10O19)2 to be Cd3(BiO2)10" +mp-1192903,Bi3(AsO5)2,-6.3467711783,-1.6596650908,0.0559401943,0.0559401943,GGA,P-1,A2B3C10_aP30_2_2i_3i_10i:As-Bi-O,30.0,A2B3C10_aP30_2_2i_3i_10i:As-Bi-O +mp-1214067,Cd2AsO2,-3.3956690765,-0.116014007,0.9985308566,0.9985308566,GGA,Fddd,AB2C2_oF80_70_c_h_h:As-Cd-O,20.0,AB2C2_oF80_70_c_h_h:As-Cd-O +mp-10486,Cd2As2O7,-5.8317108218,-1.6689074301,0.0131474837,0.0131474837,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:As-Cd-O,11.0,A2B2C7_mC22_12_i_h_aij:As-Cd-O +mp-1047521,Bi3(AsO4)4,-6.1624109761,-1.4100213939,0.2168994151,0.2168994151,GGA,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Bi-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Bi-O, expected Bi3(As5O29)2 to be Bi3(AsO4)4" +mp-676545,Cd(Bi9O14)2,-5.5246971697,-1.0872721055,0.5623999214000001,0.5623999214000001,GGA,P1,A18BC28_aP94_1_36a_2a_56a:Bi-Cd-O,94.0,A18BC28_aP94_1_36a_2a_56a:Bi-Cd-O +mp-34421,CdBi3O7,-5.5359964209,-1.2567984092,0.2094497755,0.2094497755,GGA,Cm,A3BC7_mC22_8_3a_a_7a:Bi-Cd-O,11.0,A3BC7_mC22_8_3a_a_7a:Bi-Cd-O +mp-685907,Cd4Bi2O7,-4.8790542783,-1.340642103,0.1389213579,0.1389213579,GGA,P1,A2B4C7_aP52_1_8a_16a_28a:Bi-Cd-O,52.0,A2B4C7_aP52_1_8a_16a_28a:Bi-Cd-O +mp-27911,BiAsO4,-6.4896184908,-1.7752247608,0.0,-0.1271773871,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Bi-O,24.0,ABC4_mP24_14_e_e_4e:As-Bi-O +mp-561068,BiAsO4,-6.4847868617,-1.7703931317,0.0048316292,-0.1223457579,GGA,I4_1/a,ABC4_tI24_88_a_b_f:As-Bi-O,12.0,ABC4_tI24_88_a_b_f:As-Bi-O +mp-541433,Cd(BiO2)2,-5.6262508534,-1.570447587,0.0070150895,0.0070150895,GGA,I4_1/amd,A2BC4_tI112_141_gh_f_ghi:Bi-Cd-O,56.0,A2BC4_tI112_141_gh_f_ghi:Bi-Cd-O +mp-1214200,BiAsO2,-5.39154065,-0.7932944106,0.5852001553,0.5852001553,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:As-Bi-O,16.0,ABC2_tI32_141_c_d_h:As-Bi-O +mp-757916,Bi12AsO20,-6.1955763555,-1.6598562891,0.0126580822,0.0126580822,GGA,I23,AB12C20_cI66_197_a_f_2cf:As-Bi-O,33.0,"Invalid WP multiplicities - AB12C20_cI66_197_a_f_6c6f:As-Bi-O, expected Bi12AsO96 to be Bi12AsO20" +mp-1190591,Cd(AsO4)4,-5.4178410429,-0.7175371019,0.5332762585,0.5332762585,GGA,P-1,A4BC16_aP21_2_2i_a_8i:As-Cd-O,21.0,A4BC16_aP21_2_2i_a_8i:As-Cd-O +mp-1202770,Rb3(MoO3)10,-8.0574981853,-2.0156664492,0.0179463705,0.0179463705,GGA+U,C2/m,A10B30C3_mC86_12_i2j_e6i4j_ai:Mo-O-Rb,43.0,A10B30C3_mC86_12_i2j_f6i4j_ai:Mo-O-Rb +mp-975292,RbMoO3,-7.286910316,-1.9536602527,0.193318935,0.193318935,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mo-O-Rb,5.0,AB3C_cP5_221_b_c_a:Mo-O-Rb +mp-554786,Rb2Mo2O7,-7.43356551,-2.1354573878,0.003364122,0.003364122,GGA+U,Ama2,A2B7C2_oC88_40_abc_2b6c_a3b:Mo-O-Rb,44.0,"Invalid WP multiplicities - A2B7C2_oC88_40_a2b3c_4b22c_2a5b:Mo-O-Rb, expected Rb7(Mo3O16)3 to be Rb2Mo2O7" +mp-1209245,RbDy(MoO4)2,-8.0968785283,-2.5258676265,0.0225943331,-0.0007893635,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Dy-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Dy-Mo-O-Rb +mp-1209371,RbDy(MoO4)2,-8.1194728615,-2.5484619596,0.0,-0.0233836967,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Dy-Mo-O-Rb,48.0,AB2C8D_oP48_60_c_d_4d_c:Dy-Mo-O-Rb +mp-975386,RbDyO3,-6.374110226,-2.2886328167,0.255247988,0.255247988,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Dy-O-Rb,5.0,AB3C_cP5_221_b_c_a:Dy-O-Rb +mp-541075,Rb2Mo3O10,-7.7077598053,-2.1100994328,0.0,-0.0224430272,GGA+U,C2/c,A3B10C2_mC60_15_ef_5f_f:Mo-O-Rb,30.0,A3B10C2_mC60_15_ef_5f_f:Mo-O-Rb +mp-1209549,Rb2Mo4O13,-7.8310675124,-2.0599821528,0.0112597514,0.0112597514,GGA+U,P-1,A4B13C2_aP38_2_4i_13i_2i:Mo-O-Rb,38.0,A4B13C2_aP38_2_4i_13i_2i:Mo-O-Rb +mp-19212,Rb2MoO4,-6.8565792607,-2.2003688179,0.0,-0.2795967693,GGA+U,C2/m,AB4C2_mC28_12_i_2ij_2i:Mo-O-Rb,14.0,AB4C2_mC28_12_i_2ij_2i:Mo-O-Rb +mp-1193851,Rb2MoO4,-6.8517713811,-2.1955609382,0.0048078796,-0.2747888896,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_2c:Mo-O-Rb,28.0,AB4C2_oP28_62_c_2cd_2c:Mo-O-Rb +mp-1219975,Rb2Mo3O11,-7.3716955941,-1.8147209504,0.1634972679,0.1634972679,GGA+U,P2_12_12_1,A3B11C2_oP64_19_3a_11a_2a:Mo-O-Rb,64.0,A3B11C2_oP64_19_3a_11a_2a:Mo-O-Rb +mp-1209701,Rb2MoO8,-5.7983963382,-1.0365574341,0.3636772682,0.3636772682,GGA+U,P2_1/c,AB8C2_mP44_14_e_8e_2e:Mo-O-Rb,44.0,AB8C2_mP44_14_e_8e_2e:Mo-O-Rb +mp-756868,Rb3DyO3,-5.402554665,-2.2042039234,0.020398585,0.020398585,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Dy-O-Rb,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2ij_gh2i:Dy-O-Rb, expected Rb4DyO4 to be Rb3DyO3" +mp-778968,Rb3DyO3,-5.4133437257,-2.2149929841,0.0096095243,0.0096095243,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Dy-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Dy-O-Rb, expected Rb9DyO9 to be Rb3DyO3" +mp-7476,RbDyO2,-6.91303462,-3.0428600362,0.0,-0.0797621992,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-O-Rb,4.0,AB2C_hR12_166_a_c_b:Dy-O-Rb +mp-1099822,Rb2Mo2O5,-7.0963365711,-1.7201352465,0.3283299536,0.3283299536,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Mo-O-Rb,18.0,A2B5C2_oI36_46_ab_b2c_c:Mo-O-Rb +mp-699375,Co8As3O16,-7.00492105,-1.4497019035,0.0439672368,0.0439672368,GGA+U,C2/m,A3B8C16_mC54_12_ai_eij_4i2j:As-Co-O,27.0,"Invalid WP multiplicities - A3B8C16_mC54_12_ai_2fi2j_8i3j:As-Co-O, expected Co14As3O28 to be Co8As3O16" +mp-1196672,Co2As2O9,-6.4579537606,-1.2229483143,0.1528167845,0.1528167845,GGA+U,P2_1/c,A2B2C9_mP52_14_2e_2e_9e:As-Co-O,52.0,A2B2C9_mP52_14_2e_2e_9e:As-Co-O +mp-19292,Co(AsO3)2,-6.7496324072,-1.6266671992,0.0,-0.0590055015,GGA+U,P-31m,A2BC6_hP9_162_c_b_k:As-Co-O,18.0,A2BC6_hP9_162_c_b_k:As-Co-O +mp-29203,La3Co3O8,-7.9656746496,-2.5580686218,0.1235846554,0.1235846554,GGA+U,P2_1,A3B3C8_mP28_4_3a_3a_8a:Co-La-O,28.0,A3B3C8_mP28_4_3a_3a_8a:Co-La-O +mp-27494,La2CoO4,-8.3389436675,-3.0865026889,0.048435293,0.048435293,GGA+U,Cmce,AB2C4_oC28_64_a_f_ef:Co-La-O,28.0,AB2C4_oC28_64_a_f_ef:Co-La-O +mp-504566,La2CoO4,-8.3160988039,-3.0636578254,0.0712801566,0.0712801566,GGA+U,I4/mmm,AB2C4_tI14_139_a_e_ce:Co-La-O,28.0,AB2C4_tI14_139_a_e_ce:Co-La-O +mp-561583,Co7(AsO6)2,-7.1068797362,-1.4670356452,0.0079463445,-0.0115350176,GGA+U,C2/m,A2B7C12_mC84_12_adi_e4ij_6i3j:As-Co-O,42.0,"Invalid WP multiplicities - A2B7C12_mC84_12_aci_2e7i3j_12i11j:As-Co-O, expected Co15(AsO17)2 to be Co7(AsO6)2" +mp-17489,Co7(AsO6)2,-7.1148260807,-1.4749819898,0.0,-0.0194813621,GGA+U,Imma,A2B7C12_oI84_74_ae_cg2h_3hij:As-Co-O,42.0,"Invalid WP multiplicities - A2B7C12_oI84_74_ae_2c3g7h_9h3i6j:As-Co-O, expected Co11AsO24 to be Co7(AsO6)2" +mp-1288147,Co2As2O7,-6.8556185991,-1.5681919283,0.019325523,0.019325523,GGA+U,P1,A2B2C7_aP22_1_4a_4a_14a:As-Co-O,22.0,A2B2C7_aP22_1_4a_4a_14a:As-Co-O +mp-1288387,Co2As2O7,-6.8574967405,-1.5700700697,0.0174473816,0.0174473816,GGA+U,P1,A2B2C7_aP22_1_4a_4a_14a:As-Co-O,22.0,"Invalid WP multiplicities - A2B2C7_aP11_1_2a_4a_7a:As-Co-O, expected Co4As2O7 to be Co2As2O7" +mp-1204772,Co2As2O7,-6.8590307373,-1.5716040665,0.0159133848,0.0159133848,GGA+U,P-1,A2B2C7_aP55_2_5i_5i_a17i:As-Co-O,55.0,A2B2C7_aP55_2_5i_5i_a17i:As-Co-O +mp-546953,Co2As2O7,-6.8427473409,-1.5553206701,0.0321967811,0.0321967811,GGA+U,P-1,A2B2C7_aP11_2_i_i_a3i:As-Co-O,11.0,"Invalid WP multiplicities - A2B2C7_aP11_2_i_i_a4i:As-Co-O, expected Co2As2O9 to be Co2As2O7" +mp-22025,Co2As2O7,-6.8539306041,-1.5665039333,0.021013518,0.021013518,GGA+U,C2/m,A2B2C7_mC22_12_i_h_aij:As-Co-O,22.0,A2B2C7_mC22_12_i_h_aij:As-Co-O +mp-1276409,Co2As2O7,-6.8530643218,-1.565637651,0.0218798002,0.0218798002,GGA+U,Cm,A2B2C7_mC22_8_2a_b_3a2b:As-Co-O,11.0,A2B2C7_mC22_12_i_h_aij:As-Co-O +mp-1213775,CoAsO4,-6.6388940683,-1.3798622275,0.1105499629,0.1105499629,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:As-Co-O,24.0,ABC4_oP24_62_c_c_2cd:As-Co-O +mp-1076438,La2Co2O5,-8.0873722489,-2.6626952093,0.0611491668,0.0611491668,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Co-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Co-La-O +mp-505669,La2Co2O5,-8.0849533208,-2.6602762813,0.0635680949,0.0635680949,GGA+U,Pnma,A2B2C5_oP36_62_ac_d_c2d:Co-La-O,36.0,A2B2C5_oP36_62_ac_d_c2d:Co-La-O +mp-705094,Co2As2O5,-6.8574838678,-1.4943376504,0.0,-0.0177490558,GGA+U,P-1,A2B2C5_aP36_2_4i_4i_10i:As-Co-O,36.0,"Invalid WP multiplicities - A2B2C5_aP36_2_8i_7i_19i:As-Co-O, expected Co7As8O19 to be Co2As2O5" +mp-1201698,CoAsO5,-6.2200600391,-1.0056486454,0.2718475179,0.2718475179,GGA+U,P-1,ABC5_aP56_2_4i_4i_20i:As-Co-O,56.0,ABC5_aP56_2_4i_4i_20i:As-Co-O +mp-690538,Co3(AsO4)2,-6.7328501895,-1.3315655829,0.2288481967,0.213424965,GGA+U,P1,A2B3C8_aP39_1_6a_9a_24a:As-Co-O,39.0,A2B3C8_aP39_1_6a_9a_24a:As-Co-O +mp-562111,Co3(AsO4)2,-6.9616983862,-1.5604137796000002,0.0,-0.0154232317,GGA+U,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Co-O,52.0,"Invalid WP multiplicities - A2B3C8_mP52_14_6e_9e_29e:As-Co-O, expected Co9As6O29 to be Co3(AsO4)2" +mp-21664,Co3(AsO4)2,-6.9590154198,-1.5577308133,0.0026829663,-0.0127402653,GGA+U,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Co-O,52.0,A2B3C8_mP52_14_2e_3e_8e:As-Co-O +mp-863435,Co3(AsO4)2,-6.9496990313,-1.5484144247,0.0119993549,-0.0034238768,GGA+U,I-4,A2B3C8_tI78_82_acg_befg_6g:As-Co-O,39.0,"Invalid WP multiplicities - A2B3C8_tI78_82_ac2g_be2f3g_20g:As-Co-O, expected Co19(AsO8)10 to be Co3(AsO4)2" +mp-622353,La4(CoO3)3,-8.1902455173,-2.8409217545,0.0627760742,0.0627760742,GGA+U,Pnma,A3B4C9_oP64_62_cd_2d_c4d:Co-La-O,64.0,"Invalid WP multiplicities - A3B4C9_oP64_62_4c4d_9d_3c21d:Co-La-O, expected La6Co4O15 to be La4(CoO3)3" +mp-1229319,Co20(As4O19)3,-6.7348338579,-1.3411593264,0.131784059,0.131784059,GGA+U,Cc,A12B20C57_mC356_9_12a_20a_57a:As-Co-O,178.0,"Invalid WP multiplicities - A12B20C57_mC356_9_23a_40a_113a:As-Co-O, expected Co40As23O113 to be Co20(As4O19)3" +mp-1096874,Co(AsO2)2,-6.7032396811,-1.5299097596,0.012824418,0.012824418,GGA+U,P4_2/mbc,A2BC4_tP28_135_h_d_gh:As-Co-O,28.0,A2BC4_tP28_135_h_d_gh:As-Co-O +mp-25232,La4CoO8,-8.3073962108,-3.1977149873,0.0400038619,0.0400038619,GGA+U,Cmmm,AB4C8_oC26_65_a_gh_ghn:Co-La-O,13.0,"Invalid WP multiplicities - AB4C8_oC26_65_a_2gh_gh3n:Co-La-O, expected La6CoO16 to be La4CoO8" +mp-778224,La4CoO8,-8.3051228104,-3.1954415869,0.0422772623,0.0422772623,GGA+U,I4_1/amd,AB4C8_tI52_141_a_2e_2eg:Co-La-O,26.0,"Invalid WP multiplicities - AB4C8_tI52_141_a_5e_8e4g:Co-La-O, expected La10CoO32 to be La4CoO8" +mp-1047608,Co3(AsO4)4,-6.3771678241,-1.1985397204,0.2155885873,0.2155885873,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Co-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Co-O, expected Co3(As5O29)2 to be Co3(AsO4)4" +mp-1203869,La4Co3O10,-8.1236573275,-2.7980179794,0.0256090127,0.0256090127,GGA+U,P2_1/c,A3B4C10_mP68_14_ad2e_4e_10e:Co-La-O,68.0,A3B4C10_mP68_14_ab2e_4e_10e:Co-La-O +mp-19196,La4Co3O10,-8.0590466906,-2.7334073425,0.0902196496,0.0902196496,GGA+U,I4/mmm,A3B4C10_tI34_139_ae_2e_c2eg:Co-La-O,17.0,"Invalid WP multiplicities - A3B4C10_tI34_139_ae_2e_c3e2g:Co-La-O, expected La4Co3O16 to be La4Co3O10" +mp-1203275,Co2AsO5,-6.8817869797,-1.4306372858,0.0539101088,0.0539101088,GGA+U,Pnnm,AB2C5_oP32_58_g_eg_3gh:As-Co-O,32.0,AB2C5_oP32_58_g_eg_3gh:As-Co-O +mp-1207333,La(CoO)3,-6.9306097857,-1.0590345537,0.8755820817000001,0.8755820817000001,GGA+U,Cmmm,A3BC3_oC14_65_cf_a_be:Co-La-O,7.0,A3BC3_aP7_2_def_g_abc:Co-La-O +mp-1079008,LaCoAsO,-7.15303195,-1.7404989459,0.2418514197,0.2418514197,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Co-La-O,8.0,ABCD_tP8_129_c_a_c_b:As-Co-La-O +mp-1272753,LaCoO3,-7.9521576865,-2.5752794798,0.0304298195,-0.0199414929,GGA+U,P1,ABC3_aP20_1_4a_4a_12a:Co-La-O,20.0,ABC3_aP20_1_4a_4a_12a:Co-La-O +mp-561922,LaCoO3,-7.9711760055,-2.5942977988,0.0114115005,-0.0389598119,GGA+U,P-1,ABC3_aP20_2_abeh_2i_6i:Co-La-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_bcdh_3i_9i:Co-La-O, expected La3Co2O9 to be LaCoO3" +mp-1277476,LaCoO3,-7.947710977,-2.5708327702,0.034876529,-0.0154947834,GGA+U,P-1,ABC3_aP20_2_abeh_2i_6i:Co-La-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_abeh_3i_9i:Co-La-O, expected La3Co2O9 to be LaCoO3" +mp-1273989,LaCoO3,-7.9646670505,-2.5877888438000003,0.0179204555,-0.0324508569,GGA+U,P2_1/c,ABC3_mP20_14_ab_e_3e:Co-La-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_2ad_e_7e:Co-La-O, expected La2Co3O14 to be LaCoO3" +mp-1180725,LaCoO3,-7.943823356,-2.5669451493,0.03876415,-0.0116071624,GGA+U,C2/c,ABC3_mC20_15_c_e_ef:Co-La-O,10.0,ABC3_aP10_2_be_i_3i:Co-La-O +mp-1181307,LaCoO3,-5.067580595,0.3092976118,2.915006911,2.8646355986,GGA+U,C2/c,ABC3_mC20_15_a_e_ef:Co-La-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_a_e_2e3f:Co-La-O, expected LaCoO8 to be LaCoO3" +mp-1185232,LaCoO3,-7.9351007835,-2.5582225767,0.0474867225,-0.0028845899,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-La-O,20.0,ABC3_oP20_62_a_c_cd:Co-La-O +mp-1504268,LaCoO3,-7.92744226,-2.5505640532,0.055145246,0.0047739336,GGA+U,Imma,ABC3_oI20_74_a_e_eg:Co-La-O,10.0,ABC3_mC20_15_c_e_ef:Co-La-O +mp-1288145,LaCoO3,-7.982587506,-2.6057092993,0.0,-0.0503713124,GGA+U,R-3,ABC3_hR30_148_ab_c_f:Co-La-O,10.0,ABC3_hR30_148_ab_c_f:Co-La-O +mp-19051,LaCoO3,-7.979271121,-2.6023929142,0.003316385,-0.0470549274,GGA+U,R-3c,ABC3_hR30_167_b_a_e:Co-La-O,10.0,ABC3_hR30_167_b_a_e:Co-La-O +mp-510611,LaCoO3,-6.552312288,-1.1754340813,1.430275218,1.3799039056,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Co-La-O,5.0,ABC3_cP5_221_a_b_c:Co-La-O +mp-573180,LaCoO3,-7.90603876,-2.5291605533,0.076548746,0.0261774336,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-La-O,5.0,ABC3_cP5_221_b_a_c:Co-La-O +mp-569674,La(CoAs)2,-6.45678414,-0.7626082390000001,0.0,-0.017007941,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-La,5.0,A2B2C_tI10_139_e_d_a:As-Co-La +mp-1120816,Cu2SeS3,-4.2938390133,-0.2765599436,0.1508976593,0.1508976593,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Cu-S-Se,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_3a_a:Cu-S-Se, expected Cu4SeS3 to be Cu2SeS3" +mp-674514,In5CuS8,-4.4341538964,-0.7949235925,0.0099706309,0.0099706309,GGA,F-43m,AB5C8_cF56_216_a_ce_2e:Cu-In-S,14.0,"Invalid WP multiplicities - AB5C8_cF56_216_a_c2e_7e:Cu-In-S, expected In9CuS28 to be In5CuS8" +mp-22736,InCuS2,-4.5110495812,-0.7301020478,0.0,-0.0820940864,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-In-S,8.0,ABC2_tI16_122_a_b_d:Cu-In-S +mp-1223996,InCuS2,-4.436902475,-0.6559549416,0.0741471062,-0.0079469802,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cu-In-S,4.0,ABC2_hP4_156_a_b_ab:Cu-In-S +mp-1097021,InCuS2,-4.42894097,-0.6479934366,0.0821086112,1.45248e-05,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-In-S,4.0,ABC2_hR12_160_a_a_2a:Cu-In-S +mp-1224400,InCuSeS,-4.3136222463,-0.6928093101,0.0065481737,0.0065481737,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Cu-In-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Cu-In-S-Se +mp-1212041,In2CuS4,-4.4151705236,-0.6796885811000001,0.0577852301,0.0577852301,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-In-S,14.0,AB2C4_cF56_227_a_d_e:Cu-In-S +mp-1225747,CuSeS,-4.1424085592,-0.2318858877,0.1857228571,0.1857228571,GGA,P2_13,ABC_cP12_198_a_a_a:Cu-S-Se,12.0,ABC_cP12_198_a_a_a:Cu-S-Se +mp-1189522,Ce2Ni5C3,-7.1287793445,-0.2834935258,0.0,-0.0017704681,GGA,P4/mbm,A3B2C5_tP20_127_ag_h_bi:C-Ce-Ni,20.0,A3B2C5_tP20_127_ag_h_bi:C-Ce-Ni +mp-569096,Ce2Ni22C3,-6.3038322107,-0.1291958497,0.0240405329,0.0240405329,GGA,Cmce,A3B2C22_oC216_64_fg_ef_ab5f8g:C-Ce-Ni,108.0,"Invalid WP multiplicities - A3B2C22_oC216_64_3f3g_3e2f_2a2b20f60g:C-Ce-Ni, expected Ce5Ni142C9 to be Ce2Ni22C3" +mp-1228788,Al4Ni12C,-5.8745343218,-0.3702632057,0.0382972319,0.0382972319,GGA,P4/mmm,A4BC12_tP17_123_2h_a_ef2gi:Al-C-Ni,17.0,"Invalid WP multiplicities - A4BC12_tP17_123_2h_a_2e2f2g4i:Al-C-Ni, expected Al4Ni28C to be Al4Ni12C" +mp-10036,Ce3AlC,-6.38450763,-0.2298058725,0.0,-0.0053375727,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Ce,5.0,ABC3_cP5_221_a_b_c:Al-C-Ce +mp-1207084,AlNi3C,-6.244299254,-0.1813689815,0.1659073905,0.1659073905,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Ni,5.0,ABC3_cP5_221_a_b_c:Al-C-Ni +mp-19741,CeNiC2,-7.77110025,-0.228461045,0.0091516173,0.0091516173,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Ce-Ni,4.0,A2BC_oC8_38_d_b_a:C-Ce-Ni +mp-1229029,Al3Ni9C,-5.9321900492,-0.3562959644,0.0444075417,0.0444075417,GGA,P4/mmm,A3BC9_tP13_123_ch_b_aegi:Al-C-Ni,13.0,"Invalid WP multiplicities - A3BC9_tP13_123_ch_b_a2eg2i:Al-C-Ni, expected Al3Ni15C to be Al3Ni9C" +mp-1227233,Ce4Al16Ni4C3,-5.3004045844,-0.3201040994,0.1560706147,0.1560706147,GGA,Pmm2,A16B3C4D4_oP27_25_abcd3e3f_abc_abcd_abcd:Al-C-Ce-Ni,27.0,"Invalid WP multiplicities - A16B3C4D4_oP27_25_abcd6e6f_abc_abcd_abcd:Al-C-Ce-Ni, expected Ce4Al28Ni4C3 to be Ce4Al16Ni4C3" +mp-1205528,SmSiOs2C,-8.862764279,-0.4973033755,0.0,-0.0649634162,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Sm +mp-1209054,Sm12(OsC3)5,-8.1343616928,-0.2846787816,0.0,-0.0892711396,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Sm,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Sm +mp-1068782,SmSi3Os,-7.025318522,-0.5809369910000001,0.0,-0.036474863,GGA,I4mm,AB3C_tI10_107_a_ab_a:Os-Si-Sm,5.0,AB3C_tI10_107_a_ab_a:Os-Si-Sm +mp-567408,Sm(SiOs)2,-8.317642646,-0.712851235,0.0,-0.2592730468,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Os-Si-Sm +mp-1189584,Sm5Si3C,-5.944841785,-0.4895584231,0.0696368125,0.0696368125,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Sm,18.0,AB3C5_hP18_193_b_g_dg:C-Si-Sm +mp-1198184,Mg5(SiO3)6,-7.5263966343,-3.057648178,0.0702038737,0.0702038737,GGA,Pbcn,A5B18C6_oP116_60_5c_9d_3d:Mg-O-Si,116.0,A5B18C6_oP116_60_5c_9d_3d:Mg-O-Si +mp-18195,Lu2SiO5,-8.7408675566,-3.8407847283,0.0235911106,0.0092493276,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Lu-O-Si,32.0,A2B5C_mP32_14_2e_5e_e:Lu-O-Si +mp-16969,Lu2SiO5,-8.7644586672,-3.8643758389,0.0,-0.014341783,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:Lu-O-Si,32.0,A2B5C_mC64_15_2f_5f_f:Lu-O-Si +mp-1196427,Mg7(SiO7)2,-6.5124165572,-2.5425801064,0.2156346695,0.2156346695,GGA,P6_3,A7B14C2_hP46_173_b2c_ab4c_ab:Mg-O-Si,46.0,A7B14C2_hP46_173_b2c_ab4c_ab:Mg-O-Si +mp-1196569,Mg17(SiO3)20,-7.5349373858,-3.0760462092,0.0629700154,0.0629700154,GGA,C2/m,A17B60C20_mC194_12_a3g5h_2i14j_5j:Mg-O-Si,97.0,A17B60C20_mC194_12_a3g5h_2i14j_5j:Mg-O-Si +mp-1203808,Mg17(SiO3)20,-7.4080744189,-2.9491832423,0.1898329823,0.1898329823,GGA,C2/m,A17B60C20_mC194_12_a3g5h_2i14j_5j:Mg-O-Si,97.0,A17B60C20_mC194_12_a3g5h_2i14j_5j:Mg-O-Si +mp-1210633,Mg3(SiO3)4,-7.4738815563,-2.9548090929,0.116046918,0.116046918,GGA,P-1,A3B12C4_aP19_2_ai_6i_2i:Mg-O-Si,19.0,A3B12C4_aP19_2_ai_6i_2i:Mg-O-Si +mp-1200846,Mg3(SiO3)4,-7.4860023892,-2.9669299258,0.1039260851,0.1039260851,GGA,Cc,A3B12C4_mC76_9_3a_12a_4a:Mg-O-Si,38.0,A3B12C4_mC76_9_3a_12a_4a:Mg-O-Si +mp-1200396,Mg3(SiO3)4,-7.4841906174,-2.9651181539,0.1057378569,0.1057378569,GGA,C2/c,A3B12C4_mC76_15_cf_6f_2f:Mg-O-Si,38.0,A3B12C4_mC76_15_af_6f_2f:Mg-O-Si +mp-1020114,MgSi2O5,-7.7295163247,-3.0814713664,0.1666309978,0.1666309978,GGA,Pbam,AB5C2_oP32_55_g_eghi_fh:Mg-O-Si,32.0,AB5C2_oP32_55_g_eghi_fh:Mg-O-Si +mp-1210834,Mg7(SiO3)8,-7.5444744541,-3.1002428218,0.0553765318,0.0553765318,GGA,C2/m,A7B24C8_mC78_12_ag2h_2i5j_2j:Mg-O-Si,39.0,A7B24C8_mC78_12_ag2h_2i5j_2j:Mg-O-Si +mp-729062,Mg7(SiO3)8,-7.5457153717,-3.1014837394,0.0541356143,0.0541356143,GGA,Pnma,A7B24C8_oP156_62_c3d_4c10d_4d:Mg-O-Si,156.0,A7B24C8_oP156_62_c3d_4c10d_4d:Mg-O-Si +mp-1233496,Mg(SiO2)8,-8.0282526332,-3.0622588864,0.134035049,0.134035049,GGA,Pmmm,AB16C8_oP25_47_a_Ajknt_xz:Mg-O-Si,25.0,"Invalid WP multiplicities - AB16C8_oP25_47_a_A2j2k2pr_2x2z:Mg-O-Si, expected Mg(Si8O11)2 to be Mg(SiO2)8" +mp-1020110,Mg2SiO4,-7.1484461211,-3.0894985532,0.1329798789,0.0998839149,GGA,P-1,A2B4C_aP28_2_ac3i_8i_2i:Mg-O-Si,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_ac5i_16i_2i:Mg-O-Si, expected Mg3SiO8 to be Mg2SiO4" +mp-560321,Mg2SiO4,-7.1403721382,-3.0814245704,0.1410538618,0.1079578977,GGA,P2/m,A2B4C_mP28_10_abcho_2m2n2o_mn:Mg-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_10_bcde2o_4m4n7o_mn:Mg-O-Si, expected Mg3SiO11 to be Mg2SiO4" +mp-675215,Mg2SiO4,-7.0861466293,-3.0271990614,0.1952793707,0.1621834067,GGA,P2_12_12_1,A2B4C_oP28_19_2a_4a_a:Mg-O-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_19_3a_14a_a:Mg-O-Si, expected Mg3SiO14 to be Mg2SiO4" +mp-1020112,Mg2SiO4,-7.0688980829,-3.009950515,0.2125279171,0.1794319531,GGA,Cmc2_1,A2B4C_oC28_36_2a_4a_a:Mg-O-Si,14.0,A2B4C_oC28_36_2a_4a_a:Mg-O-Si +mp-7982,Mg2SiO4,-7.1079206171,-3.0489730493,0.1735053829,0.1404094188,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Mg-O-Si,14.0,A2B4C_oP14_55_g_gh_b:Mg-O-Si +mp-2895,Mg2SiO4,-7.281426,-3.2224784321,0.0,-0.0330959641,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mg-O-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Mg-O-Si +mp-5391,Mg2SiO4,-7.2312432686,-3.1722957007,0.0501827314,0.0170867674,GGA,Imma,A2B4C_oI56_74_aeg_2ehj_h:Mg-O-Si,28.0,A2B4C_oI56_74_aeg_2ehj_h:Mg-O-Si +mp-5392,Mg2SiO4,-6.9385790564,-2.8796314886000003,0.3428469436,0.3097509795,GGA,Imma,A2B4C_oI56_74_aeg_2ehj_h:Mg-O-Si,28.0,A2B4C_oI56_74_aeg_2ehj_h:Mg-O-Si +mp-673808,Mg2SiO4,-7.1276072686,-3.0686597007,0.1538187314,0.1207227674,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mg-O-Si,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_a2e_4h3i_c:Mg-O-Si, expected Mg3SiO14 to be Mg2SiO4" +mp-1103987,Mg2SiO4,-7.2362080121,-3.1772604443,0.0452179879,0.0121220238,GGA,I-42d,A2B4C_tI28_122_d_e_a:Mg-O-Si,14.0,A2B4C_tI28_122_d_e_a:Mg-O-Si +mp-7983,Mg2SiO4,-6.9017155371,-2.8427679693,0.3797104629,0.3466144988,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Mg-O-Si,7.0,A2B4C_tI14_139_e_ce_a:Mg-O-Si +mp-530852,Mg2SiO4,-7.1500210336,-3.0910734657,0.1314049664,0.0983090024,GGA,R3m,A2B4C_hR210_160_5a5b_10a10b_10a:Mg-O-Si,70.0,"Invalid WP multiplicities - A2B4C_hR210_160_5a9b_10a28b_10a:Mg-O-Si, expected Mg16Si5O47 to be Mg2SiO4" +mp-554396,Mg2SiO4,-7.0581947343,-2.9992471664,0.2232312657,0.1901353017,GGA,P-3m1,A2B4C_hP14_164_ae_di_d:Mg-O-Si,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_a2e_2d2i_d:Mg-O-Si, expected Mg7(SiO8)2 to be Mg2SiO4" +mp-554663,Mg2SiO4,-7.2191382971,-3.1601907293,0.0622877029,0.0291917388,GGA,P-3m1,A2B4C_hP14_164_af_di_d:Mg-O-Si,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_a2f_2d2i_d:Mg-O-Si, expected Mg7(SiO8)2 to be Mg2SiO4" +mp-5639,Mg2SiO4,-7.2097199786,-3.1507724107,0.0717060214,0.0386100574,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Mg-O-Si,14.0,A2B4C_cF56_227_c_e_b:Mg-O-Si +mp-1197410,Mg5(Si4O15)2,-6.8364946823,-2.1898759422,0.3756101517,0.3756101517,GGA,C2/m,A5B30C8_mC86_12_agh_fgh2i5j_2j:Mg-O-Si,43.0,A5B30C8_mC86_12_agh_egh2i5j_2j:Mg-O-Si +mp-1180530,Mg5(Si4O15)2,-6.5986507219,-1.9520319817,0.6134541121,0.6134541121,GGA,Pmna,A5B30C8_oP86_53_aef_efg2h5i_2i:Mg-O-Si,86.0,A5B30C8_oP86_53_aef_efg2h5i_2i:Mg-O-Si +mp-1204853,Mg5(Si4O15)2,-6.6075569267,-1.9609381866,0.6045479072000001,0.6045479072000001,GGA,Pmna,A5B30C8_oP86_53_aef_efg2h5i_2i:Mg-O-Si,86.0,A5B30C8_oP86_53_aef_efg2h5i_2i:Mg-O-Si +mp-1222121,Mg7(SiO4)4,-7.142416837,-2.9924075093,0.1132506286,0.1132506286,GGA,C2,A7B16C4_mC54_5_2ab2c_8c_2c:Mg-O-Si,27.0,"Invalid WP multiplicities - A7B16C4_mC54_5_2ab2c_13c_4c:Mg-O-Si, expected Mg7(Si4O13)2 to be Mg7(SiO4)4" +mp-1211034,Mg2Si4O11,-7.5715813653,-2.9059691274,0.1510683918,0.1510683918,GGA,C2/m,A2B11C4_mC68_12_gh_e2i4j_2j:Mg-O-Si,34.0,A2B11C4_mC68_12_gh_e2i4j_2j:Mg-O-Si +mp-1234904,Mg(SiO2)16,-8.1919398769,-3.1572580955,0.0741728948,0.0741728948,GGA,P2/m,AB32C16_mP49_10_a_2m2n6o_4o:Mg-O-Si,49.0,"Invalid WP multiplicities - AB32C16_mP49_10_a_4m4n21o_14o:Mg-O-Si, expected Mg(Si14O25)4 to be Mg(SiO2)16" +mp-973655,LuSiO3,-7.67381671,-2.7165497733,0.8780173769,0.8780173769,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Lu-O-Si,5.0,AB3C_cP5_221_a_c_b:Lu-O-Si +mp-1233493,Mg(SiO2)6,-7.9341322647,-3.0124242245,0.1612155571,0.1612155571,GGA,P1,AB12C6_aP19_1_a_12a_6a:Mg-O-Si,19.0,AB12C6_aP19_1_a_12a_6a:Mg-O-Si +mp-1233788,Mg(SiO2)6,-7.9229512437,-3.0012432034,0.1723965782,0.1723965782,GGA,P-1,AB12C6_aP19_2_a_6i_3i:Mg-O-Si,19.0,"Invalid WP multiplicities - AB12C6_aP19_2_a_12i_5i:Mg-O-Si, expected Mg(Si5O12)2 to be Mg(SiO2)6" +mp-1233503,Mg(SiO2)6,-7.8756188147,-2.9539107745,0.2197290071,0.2197290071,GGA,C2,AB12C6_mC38_5_a_6c_ab2c:Mg-O-Si,19.0,AB12C6_mC38_5_a_6c_ab2c:Mg-O-Si +mp-1185778,Mg2Si2O5,-6.76874734,-2.4593429271,0.5917012017000001,0.5917012017000001,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Mg-O-Si,9.0,A2B5C2_tP9_123_ab_ci_h:Mg-O-Si +mp-1222180,Mg3Si4O13,-7.2424098345,-2.7019565587,0.2153566516,0.2153566516,GGA,Cm,A3B13C4_mC40_8_ab_5a4b_2b:Mg-O-Si,20.0,A3B13C4_mC40_8_ab_5a4b_2b:Mg-O-Si +mp-1189710,Mg3Si4O13,-7.2435927545,-2.7031394787,0.2141737316,0.2141737316,GGA,C2/m,A3B13C4_mC40_12_ag_d2i2j_j:Mg-O-Si,20.0,A3B13C4_mC40_12_ag_c2i2j_j:Mg-O-Si +mp-1188134,MgSiO6,-6.0242129031,-1.4359966097,0.5865937211000001,0.5865937211000001,GGA,P2_1/c,AB6C_mP16_14_a_3e_d:Mg-O-Si,16.0,AB6C_mP16_14_a_3e_d:Mg-O-Si +mp-530986,MgSiO3,-7.5077794052,-3.1346465625,0.1014979667,0.1014979667,GGA,C2,AB3C_mC320_5_2a2b14c_48c_2a2b14c:Mg-O-Si,160.0,"Invalid WP multiplicities - AB3C_mC320_5_2a2b27c_96c_2a2b27c:Mg-O-Si, expected Mg29Si29O96 to be MgSiO3" +mp-1020115,MgSiO3,-7.598188193,-3.2250553502,0.011089179,0.011089179,GGA,Pc,AB3C_mP80_7_8a_24a_8a:Mg-O-Si,80.0,AB3C_mP80_7_8a_24a_8a:Mg-O-Si +mp-1020117,MgSiO3,-7.5998180998,-3.226685257,0.0094592722,0.0094592722,GGA,Pc,AB3C_mP80_7_8a_24a_8a:Mg-O-Si,80.0,AB3C_mP80_7_8a_24a_8a:Mg-O-Si +mp-1020123,MgSiO3,-7.5903141325,-3.2171812897,0.0189632395,0.0189632395,GGA,P2/c,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si,80.0,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si +mp-1020361,MgSiO3,-7.6004574272,-3.2273245845,0.0088199447,0.0088199447,GGA,P2/c,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si,80.0,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si +mp-1195746,MgSiO3,-7.5893484928,-3.21621565,0.0199288792,0.0199288792,GGA,P2/c,AB3C_mP40_13_2e2f_6g_2g:Mg-O-Si,40.0,AB3C_mP40_13_2e2f_6g_2g:Mg-O-Si +mp-1196002,MgSiO3,-7.5941329409,-3.2210000981,0.0151444311,0.0151444311,GGA,P2/c,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si,80.0,AB3C_mP80_13_2e2f2g_12g_4g:Mg-O-Si +mp-1020124,MgSiO3,-7.600779998,-3.2276471552,0.008497374,0.008497374,GGA,P2_1/c,AB3C_mP80_14_4e_12e_4e:Mg-O-Si,80.0,AB3C_mP80_14_4e_12e_4e:Mg-O-Si +mp-642216,MgSiO3,-7.485255032,-3.1121221893,0.12402234,0.12402234,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_23e_4e:Mg-O-Si, expected Mg5Si4O23 to be MgSiO3" +mp-3470,MgSiO3,-7.6032935693,-3.2301607265,0.0059838027,0.0059838027,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-Si,40.0,AB3C_mP40_14_2e_6e_2e:Mg-O-Si +mp-554137,MgSiO3,-7.5024395218,-3.129306679,0.1068378502,0.1068378502,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_4e_21e_5e:Mg-O-Si, expected Mg4Si5O21 to be MgSiO3" +mp-1181528,MgSiO3,-7.3105009675,-2.9373681248,0.2987764045,0.2987764045,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_23e_4e:Mg-O-Si, expected Mg5Si4O23 to be MgSiO3" +mp-1182302,MgSiO3,-7.3163062072,-2.9431733645,0.2929711647,0.2929711647,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_23e_4e:Mg-O-Si, expected Mg5Si4O23 to be MgSiO3" +mp-603907,MgSiO3,-7.4196823965,-3.0465495537,0.1895949755,0.1895949755,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Mg-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_8f_f:Mg-O-Si, expected Mg2SiO8 to be MgSiO3" +mp-603930,MgSiO3,-7.601560761,-3.2284279182,0.007716611,0.007716611,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Mg-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_8f_f:Mg-O-Si, expected Mg2SiO8 to be MgSiO3" +mp-4321,MgSiO3,-7.5917026075,-3.2185697647,0.0175747645,0.0175747645,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Mg-O-Si,20.0,AB3C_mC40_15_2e_3f_f:Mg-O-Si +mp-1180468,MgSiO3,-5.9446870715,-1.5715542287000002,1.6645903005,1.6645903005,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Mg-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_8f_f:Mg-O-Si, expected Mg2SiO8 to be MgSiO3" +mp-1180703,MgSiO3,-7.20848561,-2.8353527672,0.400791762,0.400791762,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Mg-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_7f_f:Mg-O-Si, expected Mg2SiO7 to be MgSiO3" +mp-1020118,MgSiO3,-7.5924853599,-3.2193525171,0.0167920121,0.0167920121,GGA,Pca2_1,AB3C_oP80_29_4a_12a_4a:Mg-O-Si,80.0,AB3C_oP80_29_4a_12a_4a:Mg-O-Si +mp-1020125,MgSiO3,-7.5998099787,-3.226677136,0.0094673932,0.0094673932,GGA,Pca2_1,AB3C_oP80_29_4a_12a_4a:Mg-O-Si,80.0,AB3C_oP80_29_4a_12a_4a:Mg-O-Si +mp-657336,MgSiO3,-7.3214916885,-2.9483588457,0.2877856835,0.2877856835,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_33_6a_22a_2a:Mg-O-Si, expected Mg3SiO11 to be MgSiO3" +mp-642210,MgSiO3,-7.464681957,-3.0915491143,0.144595415,0.144595415,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_33_4a_22a_4a:Mg-O-Si, expected Mg2Si2O11 to be MgSiO3" +mp-557803,MgSiO3,-7.59833251,-3.2251996673,0.010944862,0.010944862,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Mg-O-Si,40.0,AB3C_oP40_33_2a_6a_2a:Mg-O-Si +mp-642209,MgSiO3,-7.161808967,-2.7886761243,0.447468405,0.447468405,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_33_6a_22a_2a:Mg-O-Si, expected Mg3SiO11 to be MgSiO3" +mp-1199778,MgSiO3,-7.5990949543,-3.2259621115,0.0101824177,0.0101824177,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:Mg-O-Si,40.0,AB3C_oP40_33_2a_6a_2a:Mg-O-Si +mp-5026,MgSiO3,-7.6026389632,-3.2295061205,0.0066384087,0.0066384087,GGA,Pbcn,AB3C_oP40_60_2c_3d_d:Mg-O-Si,40.0,AB3C_oP40_60_2c_3d_d:Mg-O-Si +mp-644879,MgSiO3,-7.5601449825,-3.1870121398,0.0491323895,0.0491323895,GGA,Pbcn,AB3C_oP40_60_2c_3d_d:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_60_8c_12d_d:Mg-O-Si, expected Mg4SiO12 to be MgSiO3" +mp-657338,MgSiO3,-7.4778004134,-3.1046675706,0.1314769586,0.1314769586,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Mg-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_10c_38c_7c:Mg-O-Si, expected Mg10Si7O38 to be MgSiO3" +mp-642228,MgSiO3,-7.4050089801,-3.0318761374,0.2042683919,0.2042683919,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Mg-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_10c_38c_7c:Mg-O-Si, expected Mg10Si7O38 to be MgSiO3" +mp-556940,MgSiO3,-7.5017461325,-3.1286132897,0.1075312395,0.1075312395,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Mg-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_12c_38c_8c:Mg-O-Si, expected Mg6Si4O19 to be MgSiO3" +mp-5834,MgSiO3,-7.6031055182,-3.2299726755,0.0061718537,0.0061718537,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Mg-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_2c_9c_2c:Mg-O-Si, expected Mg2Si2O9 to be MgSiO3" +mp-3547,MgSiO3,-7.393931074,-3.0207982312,0.215346298,0.215346298,GGA,Pnma,AB3C_oP20_62_c_cd_a:Mg-O-Si,20.0,AB3C_oP20_62_c_cd_a:Mg-O-Si +mp-1256030,MgSiO3,-7.169120509,-2.7959876662000003,0.440156863,0.440156863,GGA,Pnma,AB3C_oP40_62_d_a3cd_d:Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_62_d_3a12c4d_d:Mg-O-Si, expected Mg2Si2O23 to be MgSiO3" +mp-4391,MgSiO3,-7.349852831,-2.9767199882,0.259424541,0.259424541,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Mg-O-Si,10.0,AB3C_oC20_63_c_cf_a:Mg-O-Si +mp-772412,MgSiO3,-7.5222535496,-3.1491207069,0.0870238224,0.0870238224,GGA,I4_1/a,AB3C_tI160_88_cef_6f_abdf:Mg-O-Si,80.0,"Invalid WP multiplicities - AB3C_tI160_88_3c3e2f_31f_2a2b4d5f:Mg-O-Si, expected Mg5Si8O31 to be MgSiO3" +mp-5924,MgSiO3,-7.493899267,-3.1207664243,0.115378105,0.115378105,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-O-Si,10.0,AB3C_hR30_148_c_f_c:Mg-O-Si +mp-1016928,MgSiO3,-7.143716374,-2.7705835312,0.465560998,0.465560998,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Si,5.0,AB3C_cP5_221_a_c_b:Mg-O-Si +mp-1211091,Lu3Mg2(SiO4)3,-8.1190645877,-3.4990830735,0.0731765008,0.0731765008,GGA,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Lu-Mg-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Lu-Mg-O-Si +mp-1182691,Mg4Si6O23,-6.668961272,-2.0408743406,0.5146130267,0.5146130267,GGA,Pnna,A4B23C6_oP132_52_4c_2cd10e_3e:Mg-O-Si,132.0,A4B23C6_oP132_52_4c_2cd10e_3e:Mg-O-Si +mp-1024036,Mg3SiO4,-6.1766189738,-2.4250048456,0.5118496181000001,0.5118496181000001,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Si,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Si, expected Mg3SiO7 to be Mg3SiO4" +mp-1197475,Mg3Si2O9,-6.629073248,-2.3310964901,0.4359086293,0.4359086293,GGA,P1,A3B9C2_aP56_1_12a_36a_8a:Mg-O-Si,56.0,A3B9C2_aP56_1_12a_36a_8a:Mg-O-Si +mp-725197,Mg3Si2O9,-6.48142443,-2.1834476721,0.5835574473,0.5835574473,GGA,Cm,A3B9C2_mC28_8_ab_3a3b_b:Mg-O-Si,14.0,A3B9C2_mC28_8_ab_3a3b_b:Mg-O-Si +mp-1104479,Mg3Si2O9,-6.7492460371,-2.4512692792,0.3157358402,0.3157358402,GGA,Cm,A3B9C2_mC28_8_ab_3a3b_b:Mg-O-Si,14.0,A3B9C2_mC28_8_ab_3a3b_b:Mg-O-Si +mp-1194460,Mg3Si2O9,-6.7490796411,-2.4511028831,0.3159022362,0.3159022362,GGA,Cc,A3B9C2_mC56_9_3a_9a_2a:Mg-O-Si,28.0,A3B9C2_mC56_9_3a_9a_2a:Mg-O-Si +mp-1210918,Mg3Si2O9,-6.7619525305,-2.4639757726,0.3030293468,0.3030293468,GGA,C2/c,A3B9C2_mC112_15_c3ef_9f_2f:Mg-O-Si,56.0,A3B9C2_mC112_15_a3ef_9f_2f:Mg-O-Si +mp-1193906,Mg3Si2O9,-6.7495219796,-2.4515452217,0.3154598977,0.3154598977,GGA,Cmc2_1,A3B9C2_oC56_36_ab_3a3b_b:Mg-O-Si,28.0,A3B9C2_oC56_36_ab_3a3b_b:Mg-O-Si +mp-1211849,Mg3Si2O9,-6.7454626421,-2.4474858842,0.3195192352,0.3195192352,GGA,P3_1,A3B9C2_hP126_144_9a_27a_6a:Mg-O-Si,126.0,A3B9C2_hP126_144_9a_27a_6a:Mg-O-Si +mp-1103891,Mg3Si2O9,-6.749614905,-2.4516381471,0.3153669723,0.3153669723,GGA,P31m,A3B9C2_hP14_157_c_ab2c_b:Mg-O-Si,14.0,A3B9C2_hP14_157_c_ab2c_b:Mg-O-Si +mp-1210640,Mg3Si2O9,-6.7448651689,-2.446888411,0.3201167084,0.3201167084,GGA,P6_3,A3B9C2_hP28_173_c_a2b2c_ab:Mg-O-Si,28.0,A3B9C2_hP28_173_c_a2b2c_ab:Mg-O-Si +mp-1192605,Mg3Si2O9,-6.7490059625,-2.4510292046,0.3159759148,0.3159759148,GGA,P6_3cm,A3B9C2_hP28_185_c_ab2c_b:Mg-O-Si,28.0,A3B9C2_hP28_185_c_ab2c_b:Mg-O-Si +mp-28663,Mg14Si5O24,-7.0832307181,-3.1704158363,0.0207252688,0.0207252688,GGA,Pbam,A14B24C5_oP86_55_acgh2i_3g3h3i_bgh:Mg-O-Si,86.0,"Invalid WP multiplicities - A14B24C5_oP86_55_acgh2i_3g4h3i_bgh:Mg-O-Si, expected Mg14Si5O26 to be Mg14Si5O24" +mp-1203861,Mg2(SiO3)3,-7.4244182679,-2.8532245113,0.1585998858,0.1585998858,GGA,P2_1/c,A2B9C3_mP112_14_4e_18e_6e:Mg-O-Si,112.0,A2B9C3_mP112_14_4e_18e_6e:Mg-O-Si +mp-1180416,Mg10(SiO6)3,-6.7525769884,-2.8390559757,0.1320527169,0.1320527169,GGA,Pnnm,A10B18C3_oP62_58_efgh_3g3h_ag:Mg-O-Si,62.0,"Invalid WP multiplicities - A10B18C3_oP62_58_ef2gh_6g6h_ag:Mg-O-Si, expected Mg4SiO12 to be Mg10(SiO6)3" +mp-757674,Mg17(SiO3)16,-7.4618492133,-3.1229491211,0.0914476762,0.0914476762,GGA,P2,A17B48C16_mP81_3_2a2b2c3d4e_24e_8e:Mg-O-Si,81.0,"Invalid WP multiplicities - A17B48C16_mP81_3_2a2b2c3d8e_48e_16e:Mg-O-Si, expected Mg25(SiO3)32 to be Mg17(SiO3)16" +mp-7193,Lu2Si2O7,-8.681426760899999,-3.725121481,0.0,-0.0233848466,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:Lu-O-Si,11.0,A2B7C2_mC22_12_h_aij_i:Lu-O-Si +mp-18385,Lu2Si2O7,-8.6617699532,-3.7054646733,0.0196568077,-0.0037280389,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Lu-O-Si,44.0,A2B7C2_tP44_92_b_a3b_b:Lu-O-Si +mp-1202190,Lu2Si2O7,-8.6614659625,-3.7051606826,0.0199607984,-0.0034240482,GGA,P4_32_12,A2B7C2_tP44_96_b_a3b_b:Lu-O-Si,44.0,A2B7C2_tP44_96_b_a3b_b:Lu-O-Si +mp-1221972,MgSiO4,-6.83745304,-2.3687275525,0.3280595552,0.3280595552,GGA,P2/m,AB4C_mP6_10_c_mn_e:Mg-O-Si,6.0,AB4C_mP6_10_a_mn_e:Mg-O-Si +mp-1210674,Mg3SiO6,-6.702150467,-2.7115214223,0.1550215401,0.1550215401,GGA,Pnma,A3B6C_oP40_62_cd_2c2d_c:Mg-O-Si,40.0,A3B6C_oP40_62_cd_2c2d_c:Mg-O-Si +mp-1233794,Mg(SiO2)5,-7.8344832338,-2.9473734017,0.2085678222,0.2085678222,GGA,P-4m2,AB10C5_tP16_115_b_gij_aj:Mg-O-Si,16.0,AB10C5_tP16_115_b_gij_aj:Mg-O-Si +mp-2240124,Mg(TiS3)2,-5.9958740044,-1.3058780839,0.1996059772,0.1996059772,GGA,Pmm2,AB6C2_oP9_25_a_bcef_ad:Mg-S-Ti,9.0,"Invalid WP multiplicities - AB6C2_oP9_25_a_bc2e2f_ad:Mg-S-Ti, expected Mg(TiS5)2 to be Mg(TiS3)2" +mp-2240411,Mg(TiS3)2,-5.9978200911,-1.3078241706,0.1976598906,0.1976598906,GGA,Pmm2,AB6C2_oP9_25_a_adef_bc:Mg-S-Ti,9.0,"Invalid WP multiplicities - AB6C2_oP9_25_a_ad2e2f_bc:Mg-S-Ti, expected Mg(TiS5)2 to be Mg(TiS3)2" +mp-685878,Mg9(In13S24)2,-4.4566891845,-1.0290278466,0.0054711211,0.0054711211,GGA,Cm,A26B9C48_mC166_8_14a6b_9a_24a12b:In-Mg-S,83.0,"Invalid WP multiplicities - A26B9C48_mC166_8_14a10b_9a_24a23b:In-Mg-S, expected Mg9(In17S35)2 to be Mg9(In13S24)2" +mp-2210697,MgTiS2,-5.7926541225,-1.3504861724,0.3482089125,0.3482089125,GGA,P3m1,AB2C_hP4_156_a_ab_c:Mg-S-Ti,4.0,AB2C_hP4_156_a_ab_c:Mg-S-Ti +mp-2210664,MgTiS2,-5.8777862775,-1.4356183274,0.2630767575,0.2630767575,GGA,R3m,AB2C_hR12_160_a_2a_a:Mg-S-Ti,4.0,AB2C_hR12_160_a_2a_a:Mg-S-Ti +mp-2210716,MgTiS2,-5.958580905,-1.5164129549,0.18228213,0.18228213,GGA,P-3m1,AB2C_hP4_164_a_d_b:Mg-S-Ti,4.0,AB2C_hP4_164_a_d_b:Mg-S-Ti +mp-1246894,Mg2Ti3InS8,-5.9508789307,-1.4701418725,0.0804625219,0.0804625219,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:In-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:In-Mg-S-Ti, expected Mg2Ti3InS16 to be Mg2Ti3InS8" +mp-1232207,Mg(InS2)2,-4.4763843689,-1.0978919436,0.0,-0.0118508719,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:In-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:In-Mg-S +mp-1232274,Mg(InS2)2,-4.3463644786,-0.9678720532,0.1300198904,0.1181690185,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:In-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:In-Mg-S +mp-1232222,Mg(InS2)2,-4.4132161536,-1.0347237282,0.0631682154,0.0513173435,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:In-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:In-Mg-S +mp-1232260,Mg(InS2)2,-4.3709457336,-0.9924533082,0.1054386354,0.0935877635,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:In-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:In-Mg-S +mp-1232399,Mg(InS2)2,-4.1863052954,-0.80781287,0.2900790736,0.2782282017,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:In-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:In-Mg-S +mp-1232295,Mg(InS2)2,-4.425216025,-1.0467235996,0.0511683439,0.039317472,GGA,I-42d,A2BC4_tI28_122_d_a_e:In-Mg-S,14.0,A2BC4_tI28_122_d_a_e:In-Mg-S +mp-20493,Mg(InS2)2,-4.468237015,-1.0897445896,0.0081473539,-0.003703518,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:In-Mg-S,14.0,A2BC4_cF56_227_c_b_e:In-Mg-S +mp-38816,Mg(TiS2)4,-6.7327297046,-1.6347414699,0.0314101138,0.0314101138,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Mg-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_2c2h_ad:Mg-S-Ti, expected Mg(TiS4)4 to be Mg(TiS2)4" +mp-1398703,Mg(TiS2)4,-6.7557915462,-1.6578033114,0.0083482723,0.0083482723,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-S-Ti, expected Mg(Ti2S7)2 to be Mg(TiS2)4" +mp-1233139,Mg(TiS2)4,-6.7320218146,-1.6340335799,0.0321180038,0.0321180038,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Mg-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_cF52_216_a_3e_e:Mg-S-Ti, expected Mg(TiS3)4 to be Mg(TiS2)4" +mp-36982,Mg(TiS2)8,-6.8594506992,-1.6215541371,0.0167546752,0.0167546752,GGA,Pnnm,AB16C8_oP50_58_a_4g2h_bcgh:Mg-S-Ti,50.0,"Invalid WP multiplicities - AB16C8_oP50_58_a_14g10h_2b2c4g4h:Mg-S-Ti, expected Mg(Ti7S17)4 to be Mg(TiS2)8" +mp-1369134,MgTi2S5,-6.1734703038,-1.4142811265000002,0.2112165512,0.2112165512,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Mg-S-Ti,16.0,AB5C2_oP16_59_a_b2e_e:Mg-S-Ti +mp-1217241,Ti5InS8,-6.9661990536000005,-1.5861460001,0.000883935,-0.0091321137,GGA,Cm,AB8C5_mC28_8_a_8a_5a:In-S-Ti,14.0,AB8C5_mC28_8_a_8a_5a:In-S-Ti +mp-1094043,Ti5InS8,-6.9670829886,-1.5870299351,0.0,-0.0100160487,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:In-S-Ti,14.0,AB8C5_mC28_12_a_4i_c2i:In-S-Ti +mp-1232299,MgInS3,-4.295739852,-0.9434771759,0.1745883173,0.1745883173,GGA,C2/m,ABC3_mC20_12_i_g_ij:In-Mg-S,10.0,ABC3_mC20_12_i_g_ij:In-Mg-S +mp-1247164,Mg2TiIn3S8,-4.9432030857,-1.1972957827,0.0515003111,0.0515003111,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:In-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:In-Mg-S-Ti, expected Mg2TiIn3S22 to be Mg2TiIn3S8" +mp-1247234,MgTiInS4,-5.4404407571,-1.3271185765,0.0725816676,0.0725816676,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:In-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:In-Mg-S-Ti, expected MgTiInS12 to be MgTiInS4" +mp-2217112,Mg(TiS2)3,-6.524669734,-1.5141242039,0.167425578,0.167425578,GGA,P3m1,AB6C3_hP10_156_a_3a3b_3c:Mg-S-Ti,10.0,AB6C3_aP10_1_a_6a_3a:Mg-S-Ti +mp-2240000,Mg(TiS2)3,-6.594995686,-1.5844501559,0.097099626,0.097099626,GGA,P3m1,AB6C3_hP10_156_a_3b3c_3a:Mg-S-Ti,10.0,AB6C3_hP10_156_a_3b3c_3a:Mg-S-Ti +mp-2217389,Mg(TiS2)3,-6.593842384,-1.5832968539,0.098252928,0.098252928,GGA,P-3m1,AB6C3_hP10_164_a_3d_bc:Mg-S-Ti,10.0,"Invalid WP multiplicities - AB6C3_hP10_164_a_5d_bc:Mg-S-Ti, expected MgTi3S10 to be Mg(TiS2)3" +mp-2225410,Mg(TiS2)2,-6.3301518643,-1.4819999285,0.2164609521,0.2164609521,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Mg-S-Ti,7.0,AB4C2_aP7_1_a_4a_2a:Mg-S-Ti +mp-2225572,Mg(TiS2)2,-6.3749331371,-1.5267812013,0.1716796793,0.1716796793,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Mg-S-Ti,7.0,AB4C2_mC14_8_a_4a_2a:Mg-S-Ti +mp-2225376,Mg(TiS2)2,-6.4236098314,-1.5754578956,0.123002985,0.123002985,GGA,P2/m,AB4C2_mP7_10_b_mn_ce:Mg-S-Ti,7.0,AB4C2_mP7_10_c_mn_bd:Mg-S-Ti +mp-2225378,Mg(TiS2)2,-6.4252636029,-1.577111667,0.1213492136,0.1213492136,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Mg-S-Ti,7.0,AB4C2_mC14_12_a_2i_i:Mg-S-Ti +mp-1045331,Mg(TiS2)2,-6.3584377,-1.5102857642,0.1881751164,0.1881751164,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Mg-S-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h3i_ce:Mg-S-Ti, expected Mg(TiS6)2 to be Mg(TiS2)2" +mp-1045420,Mg(TiS2)2,-6.4694127914,-1.6212608556,0.077200025,0.077200025,GGA,Imma,AB4C2_oI28_74_a_hi_bc:Mg-S-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Mg-S-Ti, expected Mg(Ti2S7)2 to be Mg(TiS2)2" +mp-2225277,Mg(TiS2)2,-6.29901725,-1.4508653142,0.2475955664,0.2475955664,GGA,P3m1,AB4C2_hP7_156_a_2a2b_ab:Mg-S-Ti,7.0,AB4C2_hP7_156_a_2a2b_ab:Mg-S-Ti +mp-2225368,Mg(TiS2)2,-6.38754868,-1.5393967442,0.1590641364,0.1590641364,GGA,P-3m1,AB4C2_hP7_164_a_2d_d:Mg-S-Ti,7.0,AB4C2_hP7_164_a_2d_d:Mg-S-Ti +mp-2225324,Mg(TiS2)2,-5.3232610529,-0.475109117,1.2233517636,1.2233517636,GGA,P-6m2,AB4C2_hP7_187_e_gh_ad:Mg-S-Ti,7.0,"Invalid WP multiplicities - AB4C2_hP7_187_e_2gh_bc:Mg-S-Ti, expected Mg(TiS3)2 to be Mg(TiS2)2" +mp-1443666,Mg(TiS2)2,-6.4541070407,-1.6059551049,0.0925057757,0.0925057757,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Ti,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Ti +mp-1031357,HfMg6TiO8,-6.9987235169,-2.8094815771,0.2401293228,0.2401293228,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Ti, expected HfMg6TiO12 to be HfMg6TiO8" +mp-1031359,HfMg6TiO8,-6.9197392619,-2.7304973221,0.3191135778,0.3191135778,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Ti, expected HfMg6TiO12 to be HfMg6TiO8" +mp-1026400,HfMg14Ti,-2.4417746606,0.0742629485,0.0922142169,0.0922142169,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Ti, expected HfMg18Ti to be HfMg14Ti" +mp-1026394,HfMg14Ti,-2.4092393637,0.1067982454,0.1247495138,0.1247495138,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Ti, expected HfMg26Ti to be HfMg14Ti" +mp-1326389,Mg3Ti2O7,-7.8501228833,-3.2485691198,0.0702319731,0.0702319731,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Mg-O-Ti,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Mg-O-Ti, expected Mg3Ti2O9 to be Mg3Ti2O7" +mp-1034006,HfMg14TiO16,-6.6188717294,-2.8875085692,0.1643170305,0.1643170305,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Ti, expected HfMg18TiO20 to be HfMg14TiO16" +mp-1033996,HfMg14TiO16,-6.6119039059,-2.8805407457000003,0.1712848539,0.1712848539,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Ti, expected HfMg30TiO32 to be HfMg14TiO16" +mp-759694,Mg2Ti7O15,-8.9460748227,-3.4181858691,0.0,-0.0007928554,GGA,P2_1/m,A2B15C7_mP48_11_2e_3e6f_e3f:Mg-O-Ti,48.0,"Invalid WP multiplicities - A2B15C7_mP48_11_2e_4e17f_e5f:Mg-O-Ti, expected Mg2Ti11O38 to be Mg2Ti7O15" +mp-1406883,MgTiO2,-7.59553837,-2.7482509977,0.233065365,0.233065365,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-Ti, expected Mg2Ti3O7 to be MgTiO2" +mp-1045938,MgTiO2,-7.67959016,-2.8323027877,0.149013575,0.149013575,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-Ti, expected Mg2Ti3O7 to be MgTiO2" +mp-1394331,MgTiO2,-7.4799594419,-2.6326720696,0.3486442931,0.3486442931,GGA,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-Ti, expected Mg2Ti3O7 to be MgTiO2" +mp-1396333,MgTiO2,-7.4993941944,-2.6521068221,0.3292095406,0.3292095406,GGA,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-Ti, expected Mg2Ti3O7 to be MgTiO2" +mp-2210659,MgTiO2,-7.1190019225,-2.2717145502,0.7096018125,0.7096018125,GGA,C2/m,AB2C_mC8_12_a_i_b:Mg-O-Ti,4.0,AB2C_mC8_12_a_i_b:Mg-O-Ti +mp-2210634,MgTiO2,-7.369501705,-2.5222143327,0.45910203,0.45910203,GGA,R3m,AB2C_hR12_160_a_2a_a:Mg-O-Ti,4.0,AB2C_hR12_160_a_2a_a:Mg-O-Ti +mp-2210655,MgTiO2,-7.3175053475,-2.4702179752,0.5110983875,0.5110983875,GGA,R3m,AB2C_hR12_160_a_2a_a:Mg-O-Ti,4.0,AB2C_hR12_160_a_2a_a:Mg-O-Ti +mp-2210657,MgTiO2,-7.66458283,-2.8172954577,0.164020905,0.164020905,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-O-Ti,4.0,AB2C_hR12_166_a_c_b:Mg-O-Ti +mp-675042,Mg2TiO,-4.8876657925,-0.8769805855,0.6711382332,0.6711382332,GGA,P-1,A2BC_aP32_2_cf7i_4i_abdg2i:Mg-O-Ti,32.0,"Invalid WP multiplicities - A2BC_aP32_2_cf14i_7i_abdg4i:Mg-O-Ti, expected Mg15Ti6O7 to be Mg2TiO" +mp-1040872,MgTi4O9,-8.8507652971,-3.3005905459,0.1588253221,0.1588253221,GGA,P4/n,AB9C4_tP28_85_c_a2g_g:Mg-O-Ti,28.0,AB9C4_tP28_85_c_a2g_g:Mg-O-Ti +mp-1351530,MgTi2O4,-8.4883040668,-3.1771585056,0.0608236268,0.0608236268,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Mg-O-Ti,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Mg-O-Ti, expected Mg4Ti11O24 to be MgTi2O4" +mp-1357438,MgTi2O4,-8.4848845193,-3.1737389581,0.0642431743,0.0642431743,GGA,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Mg-O-Ti, expected MgTi3O6 to be MgTi2O4" +mp-1401213,MgTi2O4,-8.401149725,-3.0900041638,0.1479779686,0.1479779686,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-Ti, expected MgTi3O7 to be MgTi2O4" +mp-27872,MgTi2O4,-8.5331584721,-3.222012911,0.0159692214,0.0159692214,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Mg-O-Ti +mp-2225828,MgTi2O4,-8.2964843571,-2.985338796,0.2526433364,0.2526433364,GGA,Amm2,AB4C2_oC14_38_a_2bd_ab:Mg-O-Ti,7.0,AB4C2_oC14_38_a_2bd_ab:Mg-O-Ti +mp-2224259,MgTi2O4,-8.4173394086,-3.1061938474,0.131788285,0.131788285,GGA,Imm2,AB4C2_oI14_44_a_2a2b_ab:Mg-O-Ti,7.0,AB4C2_oI14_44_a_2a2b_ab:Mg-O-Ti +mp-1372438,MgTi2O4,-8.4575750936,-3.1464295324,0.0915526,0.0915526,GGA,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Mg-O-Ti,28.0,AB4C2_oP28_59_ab_2eg_ce:Mg-O-Ti +mp-1376163,MgTi2O4,-8.4337038639,-3.1225583027,0.1154238296,0.1154238296,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-Ti,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-Ti +mp-1047312,MgTi2O4,-8.50731175,-3.1961661888,0.0418159436,0.0418159436,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Mg-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_2a2c3f_f:Mg-O-Ti, expected MgTi2O10 to be MgTi2O4" +mp-1045404,MgTi2O4,-8.44719849,-3.1360529288,0.1019292036,0.1019292036,GGA,Imma,AB4C2_oI28_74_a_hi_bc:Mg-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Mg-O-Ti, expected MgTi4O14 to be MgTi2O4" +mp-1047764,MgTi2O4,-8.4608047664,-3.1496592052,0.0883229271,0.0883229271,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Mg-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Mg-O-Ti, expected MgTi2O10 to be MgTi2O4" +mp-2225552,MgTi2O4,-8.2273382143,-2.9161926531,0.3217894793,0.3217894793,GGA,P-4,AB4C2_tP7_81_a_h_g:Mg-O-Ti,7.0,AB4C2_tP7_81_a_h_g:Mg-O-Ti +mp-1194382,MgTi2O4,-8.5325286793,-3.2213831181,0.0165990143,0.0165990143,GGA,P4_12_12,AB4C2_tP28_92_a_2b_b:Mg-O-Ti,28.0,AB4C2_tP28_92_a_2b_b:Mg-O-Ti +mp-2225296,MgTi2O4,-8.43692629,-3.1257807288,0.1122014036,0.1122014036,GGA,I-4m2,AB4C2_tI14_119_a_ef_bc:Mg-O-Ti,7.0,"Invalid WP multiplicities - AB4C2_tI14_119_a_2e2f_bc:Mg-O-Ti, expected MgTi2O8 to be MgTi2O4" +mp-1044622,MgTi2O4,-8.5209287267,-3.2097831655,0.0281989669,0.0281989669,GGA,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Mg-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c16d_a2b8d:Mg-O-Ti, expected Mg2Ti9O18 to be MgTi2O4" +mp-1044907,MgTi2O4,-8.5202357598,-3.2090901986,0.0288919338,0.0288919338,GGA,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Mg-O-Ti,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c13d_a2b7d:Mg-O-Ti, expected Mg2Ti8O15 to be MgTi2O4" +mp-1044648,MgTi2O4,-8.5080964557,-3.1969508945,0.0410312379,0.0410312379,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Ti,14.0,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-Ti +mp-1233617,MgTi8O16,-9.137379058,-3.3809296355000003,0.0616127399,0.0616127399,GGA,P1,AB16C8_aP25_1_a_16a_8a:Mg-O-Ti,25.0,AB16C8_aP25_1_a_16a_8a:Mg-O-Ti +mp-2216790,MgTi8O16,-9.1401839584,-3.3837345359,0.0588078395,0.0588078395,GGA,P-1,AB16C8_aP25_2_a_8i_4i:Mg-O-Ti,25.0,"Invalid WP multiplicities - AB16C8_aP25_2_a_16i_8i:Mg-O-Ti, expected MgTi16O32 to be MgTi8O16" +mp-677628,Mg2TiO4,-7.6901159155,-3.2782863495,0.0041312277,0.0012523181,GGA,P1,A2B4C_aP84_1_24a_48a_12a:Mg-O-Ti,84.0,A2B4C_aP84_1_24a_48a_12a:Mg-O-Ti +mp-676979,Mg2TiO4,-7.6884385655,-3.2766089996,0.0058085777,0.002929668,GGA,C2,A2B4C_mC112_5_ab7c_16c_ab3c:Mg-O-Ti,56.0,"Invalid WP multiplicities - A2B4C_mC112_5_ab14c_32c_ab5c:Mg-O-Ti, expected Mg15Ti6O32 to be Mg2TiO4" +mp-33297,Mg2TiO4,-7.6738463907,-3.2620168248,0.0204007525,0.0175218429,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mg-O-Ti,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_a2e_3h2i_c:Mg-O-Ti, expected Mg3TiO10 to be Mg2TiO4" +mp-757031,Mg2TiO4,-7.6942471432,-3.2824175773,0.0,-0.0028789096,GGA,P4_122,A2B4C_tP28_91_ac_2d_b:Mg-O-Ti,28.0,"Invalid WP multiplicities - A2B4C_tP28_91_2ac_7d_b:Mg-O-Ti, expected Mg3TiO14 to be Mg2TiO4" +mp-774738,MgTi14O25,-9.2786543455,-3.3835446939,0.0084277897,0.0084277897,GGA,C2/c,AB25C14_mC160_15_e_e12f_7f:Mg-O-Ti,80.0,"Invalid WP multiplicities - AB25C14_mC160_15_e_2e42f_26f:Mg-O-Ti, expected MgTi52O86 to be MgTi14O25" +mp-1045636,Mg2Ti9O13,-8.7607410383,-2.987118476,0.1136179454,0.1136179454,GGA,C2/m,A2B13C9_mC48_12_i_a6i_d4i:Mg-O-Ti,24.0,A2B13C9_mC48_12_i_a6i_c4i:Mg-O-Ti +mp-1046590,MgTi4O6,-8.7371218218,-3.0223599687,0.0958440886,0.0958440886,GGA,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Mg-O-Ti,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Mg-O-Ti, expected MgTi12O6 to be MgTi4O6" +mp-1397123,Mg2Ti3O8,-8.4609475615,-3.3485978815,0.0564478665,0.0564478665,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Ti,13.0,A2B8C3_mC26_12_i_2ij_ah:Mg-O-Ti +mp-1042395,Mg2Ti3O8,-8.4729903988,-3.3606407188,0.0444050292,0.0444050292,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Mg-O-Ti,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Mg-O-Ti, expected Mg2Ti3O12 to be Mg2Ti3O8" +mp-1021303,HfMg6Ti,-3.2515895512,0.1802056171,0.1955924185,0.1955924185,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Ti, expected HfMg12Ti to be HfMg6Ti" +mp-1021310,HfMg6Ti,-3.2924696156,0.1393255527,0.1547123542,0.1547123542,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Ti, expected HfMg12Ti to be HfMg6Ti" +mp-1173863,MgTi2O5,-8.6919820704,-3.4263936155,0.0007194658,-0.0068750123,GGA,P2_1,AB5C2_mP48_4_3a_15a_6a:Mg-O-Ti,48.0,"Invalid WP multiplicities - AB5C2_mP48_4_4a_29a_11a:Mg-O-Ti, expected Mg4Ti11O29 to be MgTi2O5" +mp-1222007,MgTi2O5,-8.670445000600001,-3.4048565457,0.0222565356,0.0146620575,GGA,Cmc2_1,AB5C2_oC32_36_a_5a_2a:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB5C2_oC32_36_a_7a_2a:Mg-O-Ti, expected MgTi2O7 to be MgTi2O5" +mp-1383750,MgTi2O5,-8.5507467075,-3.2851582526,0.1419548288,0.1343603506,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Mg-O-Ti,16.0,AB5C2_oP16_59_a_b2e_e:Mg-O-Ti +mp-28232,MgTi2O5,-8.6927015363,-3.4271130813,0.0,-0.0075944781,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-Ti,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_c3f_f:Mg-O-Ti, expected MgTi2O7 to be MgTi2O5" +mp-1042886,MgTi2O5,-8.62162994,-3.3560414851,0.0710715963,0.0634771181,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-Ti,16.0,AB5C2_oC32_63_c_c2f_f:Mg-O-Ti +mp-2217077,MgTi3O6,-8.579028752,-3.0823399153,0.2546305975,0.2546305975,GGA,C2,AB6C3_mC20_5_a_3c_bc:Mg-O-Ti,10.0,"Invalid WP multiplicities - AB6C3_mC20_5_a_4c_b2c:Mg-O-Ti, expected MgTi5O8 to be MgTi3O6" +mp-2217090,MgTi3O6,-8.635379887,-3.1386910503,0.1982794625,0.1982794625,GGA,C2,AB6C3_mC20_5_a_3c_ac:Mg-O-Ti,10.0,"Invalid WP multiplicities - AB6C3_mC20_5_a_6c_ac:Mg-O-Ti, expected MgTi3O12 to be MgTi3O6" +mp-2217084,MgTi3O6,-8.628614243,-3.1319254063,0.2050451065,0.2050451065,GGA,C2,AB6C3_mC20_5_a_3c_bc:Mg-O-Ti,10.0,"Invalid WP multiplicities - AB6C3_mC20_5_a_5c_bc:Mg-O-Ti, expected MgTi3O10 to be MgTi3O6" +mp-2217120,MgTi3O6,-8.62457003,-3.1278811932,0.2090893195,0.2090893195,GGA,C2,AB6C3_mC20_5_a_3c_bc:Mg-O-Ti,10.0,AB6C3_mC20_5_a_3c_bc:Mg-O-Ti +mp-2217073,MgTi3O6,-8.745177678,-3.2484888413,0.0884816715,0.0884816715,GGA,Cm,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti,10.0,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti +mp-2217205,MgTi3O6,-8.616298166,-3.1196093293,0.2173611835,0.2173611835,GGA,Cm,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti,10.0,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti +mp-2217122,MgTi3O6,-8.768451306,-3.2717624693,0.0652080435,0.0652080435,GGA,Cm,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti,10.0,AB6C3_mC20_8_a_6a_3a:Mg-O-Ti +mp-1076652,Mg2Ti2O5,-7.8263806994,-2.9680487339,0.2312965875,0.2312965875,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:Mg-O-Ti,18.0,A2B5C2_oI36_46_c_b2c_ab:Mg-O-Ti +mp-1346119,Mg2Ti2O5,-7.7714076283,-2.9130756628,0.2862696586,0.2862696586,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Mg-O-Ti,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Mg-O-Ti, expected MgTiO6 to be Mg2Ti2O5" +mp-2219448,MgTi4O8,-8.8593301785,-3.2627334241,0.1201868272,0.1201868272,GGA,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-Ti,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-Ti +mp-2219818,MgTi4O8,-8.7898259931,-3.1932292387,0.1896910126,0.1896910126,GGA,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-Ti,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-Ti +mp-2219398,MgTi4O8,-8.8466463992,-3.2500496449,0.1328706064,0.1328706064,GGA,P-1,AB8C4_aP13_2_a_4i_2i:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_aP13_2_a_8i_4i:Mg-O-Ti, expected MgTi8O16 to be MgTi4O8" +mp-2218840,MgTi4O8,-8.7948484946,-3.1982517403,0.1846685111,0.1846685111,GGA,P2,AB8C4_mP13_3_a_4e_abcd:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_mP13_3_a_6e_abcd:Mg-O-Ti, expected MgTi4O12 to be MgTi4O8" +mp-2219587,MgTi4O8,-8.7963457708,-3.1997490164,0.1831712349,0.1831712349,GGA,C2,AB8C4_mC26_5_a_4c_2c:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_5_a_7c_3c:Mg-O-Ti, expected MgTi6O14 to be MgTi4O8" +mp-2218837,MgTi4O8,-8.862283465400001,-3.265686711,0.1172335403,0.1172335403,GGA,Pm,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-Ti,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-Ti +mp-2218857,MgTi4O8,-8.8976299008,-3.3010331464,0.0818871049,0.0818871049,GGA,Pm,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-Ti,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-Ti +mp-2215874,MgTi4O8,-8.88892561,-3.2923288556,0.0905913957,0.0905913957,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-Ti,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-Ti +mp-2218916,MgTi4O8,-8.8624348592,-3.2658381049,0.1170821464,0.1170821464,GGA,Cm,AB8C4_mC26_8_a_4a2b_2ab:Mg-O-Ti,13.0,AB8C4_mC26_8_a_4a2b_2ab:Mg-O-Ti +mp-2215940,MgTi4O8,-8.8430866531,-3.2464898987,0.1364303526,0.1364303526,GGA,C2/m,AB8C4_mC26_12_a_4i_2i:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_8i_4i:Mg-O-Ti, expected MgTi8O16 to be MgTi4O8" +mp-2219080,MgTi4O8,-8.7974317331,-3.2008349787,0.1820852726,0.1820852726,GGA,C2/m,AB8C4_mC26_12_a_gij_j:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_2gi4j_j:Mg-O-Ti, expected MgTi4O22 to be MgTi4O8" +mp-2218875,MgTi4O8,-8.9020964023,-3.3054996479,0.0774206034,0.0774206034,GGA,Amm2,AB8C4_oC26_38_a_ab3c_2c:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_ab4c_4c:Mg-O-Ti, expected MgTi8O10 to be MgTi4O8" +mp-2218893,MgTi4O8,-8.7793536046,-3.1827568503,0.2001634011,0.2001634011,GGA,Amm2,AB8C4_oC26_38_a_ab3c_2c:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_ab4c_4c:Mg-O-Ti, expected MgTi8O10 to be MgTi4O8" +mp-2218948,MgTi4O8,-8.8155417762,-3.2189450218,0.1639752295,0.1639752295,GGA,Imm2,AB8C4_oI26_44_a_2c2d_abc:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_oI26_44_a_3c3d_abc:Mg-O-Ti, expected MgTi4O12 to be MgTi4O8" +mp-2219305,MgTi4O8,-8.8496847185,-3.2530879641,0.1298322872,0.1298322872,GGA,I-4,AB8C4_tI26_82_a_2g_g:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_tI26_82_a_6g_g:Mg-O-Ti, expected MgTi4O24 to be MgTi4O8" +mp-2218911,MgTi4O8,-8.7532917792,-3.1566950249,0.2262252264,0.2262252264,GGA,I4/m,AB8C4_tI26_87_a_2h_h:Mg-O-Ti,13.0,AB8C4_tI26_87_a_2h_h:Mg-O-Ti +mp-2218852,MgTi4O8,-8.8773932223,-3.2807964679,0.1021237834,0.1021237834,GGA,R3m,AB8C4_hR39_160_a_2a2b_ab:Mg-O-Ti,13.0,AB8C4_hR39_160_a_2a2b_ab:Mg-O-Ti +mp-2218818,MgTi4O8,-8.8576565338,-3.2610597795,0.1218604718,0.1218604718,GGA,R3m,AB8C4_hR39_160_a_2a2b_ab:Mg-O-Ti,13.0,AB8C4_hR39_160_a_2a2b_ab:Mg-O-Ti +mp-1401384,MgTi4O8,-8.8606598769,-3.2640631226,0.1188571288,0.1188571288,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-O-Ti, expected MgTi4O14 to be MgTi4O8" +mp-2219157,MgTi4O8,-8.8771975723,-3.2806008179,0.1023194334,0.1023194334,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Mg-O-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_2c3h_a2d:Mg-O-Ti, expected MgTi7O22 to be MgTi4O8" +mp-2219114,MgTi4O8,-8.9358146292,-3.3392178749,0.0437023764,0.0437023764,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Mg-O-Ti,13.0,AB8C4_cF52_216_a_2e_e:Mg-O-Ti +mp-2218993,MgTi4O8,-7.9186866738,-2.3220899195,1.0608303318,1.0608303318,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Mg-O-Ti,13.0,AB8C4_cF52_216_a_2e_e:Mg-O-Ti +mp-1030636,Mg3TiO4,-6.876921975,-2.8165360985000003,0.2011422325,0.2011422325,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Ti,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Ti, expected Mg3TiO7 to be Mg3TiO4" +mp-1222072,MgTi11O20,-9.2465273584,-3.3907627816,0.004018279,0.004018279,GGA,Cm,AB20C11_mC64_8_a_2a9b_a5b:Mg-O-Ti,32.0,"Invalid WP multiplicities - AB20C11_mC64_8_a_2a17b_a9b:Mg-O-Ti, expected MgTi19O36 to be MgTi11O20" +mp-766100,MgTi11O20,-9.2432119145,-3.3874473377,0.0073337229,0.0073337229,GGA,P2_1/m,AB20C11_mP64_11_e_4e8f_3e4f:Mg-O-Ti,64.0,"Invalid WP multiplicities - AB20C11_mP64_11_e_7e16f_4e12f:Mg-O-Ti, expected MgTi28O39 to be MgTi11O20" +mp-760088,MgTi23O40,-9.3344044411,-3.3802771773,0.0074824407,0.0074824407,GGA,Cm,AB40C23_mC128_8_a_4a18b_3a10b:Mg-O-Ti,64.0,"Invalid WP multiplicities - AB40C23_mC128_8_a_4a35b_3a19b:Mg-O-Ti, expected MgTi41O74 to be MgTi23O40" +mp-762447,Mg3Ti9O20,-8.8841925113,-3.4218786823,0.0,-0.0004321102,GGA,Cm,A3B20C9_mC64_8_ab_2a9b_a4b:Mg-O-Ti,32.0,"Invalid WP multiplicities - A3B20C9_mC64_8_ab_2a15b_a7b:Mg-O-Ti, expected Mg3Ti15O32 to be Mg3Ti9O20" +mp-757825,Mg11Ti25O60,-8.7585182431,-3.4273546635,0.0,-0.0014444853,GGA,P1,A11B60C25_aP96_1_11a_60a_25a:Mg-O-Ti,96.0,A11B60C25_aP96_1_11a_60a_25a:Mg-O-Ti +mp-766437,MgTi5O10,-9.0674608794,-3.4084216765,0.0004022692,0.0004022692,GGA,P2_1/m,AB10C5_mP32_11_e_2e4f_e2f:Mg-O-Ti,32.0,"Invalid WP multiplicities - AB10C5_mP32_11_e_2e8f_e3f:Mg-O-Ti, expected MgTi7O18 to be MgTi5O10" +mp-1043866,MgTi3O7,-8.7885592168,-3.3418703915,0.1057990086,0.1057990086,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Mg-O-Ti,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Mg-O-Ti, expected MgTi5O7 to be MgTi3O7" +mp-1345923,MgTiO3,-8.153997928,-3.2868302879,0.082907727,0.0727582248,GGA,Pnma,AB3C_oP20_62_c_cd_a:Mg-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Mg-O-Ti +mp-3771,MgTiO3,-8.236905655,-3.3697380149,0.0,-0.0101495022,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-O-Ti,10.0,AB3C_hR30_148_c_f_c:Mg-O-Ti +mp-1016830,MgTiO3,-7.781427676,-2.9142600359,0.455477979,0.4453284768,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Ti,5.0,AB3C_cP5_221_a_c_b:Mg-O-Ti +mp-1040299,HfMg30TiO32,-6.4699683947,-2.9675446243,0.0853883252,0.0853883252,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Ti, expected HfMg90TiO80 to be HfMg30TiO32" +mp-1040304,HfMg30TiO32,-6.4618622378,-2.9594384674,0.0934944821,0.0934944821,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Ti, expected HfMg110TiO72 to be HfMg30TiO32" +mp-759796,Mg5Ti13O30,-8.8214459794,-3.4247072751,0.0,-9.06022e-05,GGA,Pm,A5B30C13_mP48_6_2a3b_3a3b12c_a6c:Mg-O-Ti,48.0,"Invalid WP multiplicities - A5B30C13_mP48_6_2a3b_3a3b13c_a8c:Mg-O-Ti, expected Mg5Ti17O32 to be Mg5Ti13O30" +mp-973245,KLu,-2.24617409,0.5695006435000001,0.5695006435000001,0.5695006435000001,GGA,P-6m2,AB_hP2_187_a_d:K-Lu,2.0,AB_hP2_187_a_d:K-Lu +mp-1184871,K3Lu,-1.3829134475,0.5801233928,0.5801233928,0.5801233928,GGA,Pm-3m,A3B_cP4_221_c_a:K-Lu,4.0,A3B_cP4_221_c_a:K-Lu +mp-1111126,K2LiLuCl6,-4.413928428,-2.4397393039,0.0,-0.0366537182,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Lu,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Lu +mp-1111421,K3LuCl6,-4.326338162,-2.4320014299,0.0,-0.013961558,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Lu,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Lu +mp-1228892,CsCrCuF6,-5.5863159094,-2.6844792075,0.0,-0.0096290232,GGA+U,Imma,ABCD6_oI36_74_a_e_c_2ej:Cr-Cs-Cu-F,18.0,"Invalid WP multiplicities - ABCD6_oI36_74_a_e_c_4e2j:Cr-Cs-Cu-F, expected CsCrCuF12 to be CsCrCuF6" +mp-1110718,Rb2TaCuI6,-3.548521652,-0.8726965975000001,0.2175373582,0.2175373582,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Ta +mp-554337,Rb2IrF6,-4.9553579189,-2.4810939044,0.0,-0.1502828724,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ir-Rb,9.0,A6BC2_hP9_164_i_a_d:F-Ir-Rb +mp-1111032,Rb2HgIrF6,-4.394603545,-2.1373978955,0.1087156208,0.1087156208,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Ir-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Ir-Rb +mp-1113831,Rb3IrF6,-4.831950028,-2.5070590078,0.0300409203,0.0300409203,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ir-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Ir-Rb +mp-989533,NaTl2InF6,-4.614473402,-2.5876364898,0.0,-0.0600058227,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-Na-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-Na-Tl +mp-1096130,NaTl2In,-1.3173377625,0.8825360667000001,0.9617311975,0.96113926,GGA,Immm,ABC2_oI8_71_a_b_e:In-Na-Tl,4.0,ABC2_oI8_71_a_b_e:In-Na-Tl +mp-1186185,NaTl2In,-2.27906896,-0.0791951308,0.0,-0.0005919375,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Na-Tl,4.0,ABC2_cF16_225_a_b_c:In-Na-Tl +mp-1216588,TlInF6,-4.5482112762,-2.475311191,0.0,-0.0078872609,GGA,R-3,A6BC_hR24_148_f_a_b:F-In-Tl,8.0,A6BC_hR24_148_f_a_b:F-In-Tl +mp-2647071,LiZnF6,-3.5438591225,-1.7141665873,0.0534448416,0.0534448416,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Zn,8.0,A6BC_hR24_148_f_a_b:F-Li-Zn +mp-8892,LiInF4,-5.0097520442,-2.9586649664,0.0,-0.0136122025,GGA,Pbcn,A4BC_oP24_60_2d_c_c:F-In-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_60_6d_c_c:F-In-Li, expected LiInF12 to be LiInF4" +mp-1222552,Li4ZnIn2F12,-4.9052082374,-2.9401266507,0.0060186242,0.0060186242,GGA,Pnc2,A12B2C4D_oP38_30_6c_ab_a3b_a:F-In-Li-Zn,38.0,"Invalid WP multiplicities - A12B2C4D_oP38_30_18c_a2b_a4b_a:F-In-Li-Zn, expected Li5ZnIn3F36 to be Li4ZnIn2F12" +mp-1210934,LiZnInF6,-4.7530269252,-2.8208909239,0.019219302,0.019219302,GGA,P321,A6BCD_hP27_150_3g_ad_f_e:F-In-Li-Zn,27.0,A6BCD_hP27_150_3g_ad_f_e:F-In-Li-Zn +mp-1110579,Li3InF6,-4.779577063,-2.7848444495,0.2567323695,0.2567323695,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-In-Li,10.0,A6BC3_cF40_225_e_a_bc:F-In-Li +mp-1096552,Li2ZnIn,-0.9611855775,0.9961326908,1.2500581722,1.2500581722,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Zn,4.0,AB2C_oI8_71_a_e_b:In-Li-Zn +mp-1113984,KRb2AlCl6,-3.952932092,-2.1621058038,0.049439843,0.049439843,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-K-Rb +mp-1111613,K2RbAlCl6,-3.907976832,-2.1041640564,0.110053936,0.110053936,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Rb +mp-1206528,Cs2MnF4,-5.6278402757,-2.9708780034,0.0,-0.0217207883,GGA+U,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-F-Mn,7.0,A2B4C_tI14_139_e_ce_a:Cs-F-Mn +mp-1113828,Rb3MnF6,-5.255013703,-2.8977645715,0.056035324,0.056035324,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Mn-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Mn-Rb +mp-553981,RbMnF4,-5.9130546717,-2.9483104659,0.0,-0.0295131317,GGA+U,P2_1/c,A4BC_mP24_14_4e_ac_e:F-Mn-Rb,24.0,"Invalid WP multiplicities - A4BC_mP24_14_6e_2ac_e:F-Mn-Rb, expected Rb2Mn3F12 to be RbMnF4" +mp-554411,CsMnF4,-5.8981148088,-2.9475592197,0.0,-0.0202404337,GGA+U,P4/n,AB4C_tP24_85_ac_2g_e:Cs-F-Mn,24.0,"Invalid WP multiplicities - AB4C_tP24_85_2a2c_10g_e:Cs-F-Mn, expected Cs2MnF20 to be CsMnF4" +mp-504524,CsMnF4,-5.88368774,-2.933132151,0.0144270688,-0.005813365,GGA+U,P4/nmm,AB4C_tP24_129_ac_ij_e:Cs-F-Mn,24.0,AB4C_tP24_129_ac_ij_e:Cs-F-Mn +mp-558702,CsMnF3,-6.1501574003,-2.991786487,0.0,-0.0216726353,GGA+U,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Cs-F-Mn,30.0,"Invalid WP multiplicities - AB3C_hP30_194_bf_h2k_2af:Cs-F-Mn, expected Cs3Mn4F15 to be CsMnF3" +mp-557912,Cs2MnF6,-5.40494742,-2.9136481043,0.0,-0.1088843132,GGA+U,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Mn,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Mn +mp-17040,Cs3MnF7,-5.1906188073,-2.8971119727,0.0036153918,0.0036153918,GGA+U,P4/mbm,A3B7C_tP22_127_bg_ahk_c:Cs-F-Mn,22.0,A3B7C_tP22_127_bg_ahk_c:Cs-F-Mn +mp-558133,Rb2MnF6,-5.4080980144,-2.8978805431,0.0044056256,-0.0977518503,GGA+U,P6_3mc,A6BC2_hP18_186_2c_b_ab:F-Mn-Rb,18.0,A6BC2_hP18_186_2c_b_ab:F-Mn-Rb +mp-558111,Rb2MnF6,-5.41250364,-2.9022861687,0.0,-0.1021574758,GGA+U,Fm-3m,A6BC2_cF36_225_e_a_c:F-Mn-Rb,9.0,A6BC2_cF36_225_e_a_c:F-Mn-Rb +mp-18408,Rb3MnF7,-5.2081480141,-2.891423443,0.0058176905,0.0058176905,GGA+U,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Mn-Rb,22.0,A7BC3_tP22_127_ahk_c_bg:F-Mn-Rb +mp-555223,Cs2MnF5,-5.5449619225,-2.9811850633,0.0,-0.0424988781,GGA+U,P4/mmm,A2B5C_tP8_123_e_bj_a:Cs-F-Mn,8.0,"Invalid WP multiplicities - A2B5C_tP8_123_e_b2j_a:Cs-F-Mn, expected Cs2MnF9 to be Cs2MnF5" +mp-558749,RbMnF3,-6.190304176,-3.0149069226,0.0,-0.034238182,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Mn-Rb,5.0,A3BC_cP5_221_c_b_a:F-Mn-Rb +mp-1206523,Rb2MnF4,-5.6672420314,-2.9859564161,0.0,-0.0111547643,GGA+U,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Mn-Rb,7.0,A4BC2_tI14_139_ce_a_e:F-Mn-Rb +mp-1228944,CsRbMnF6,-5.4036263211,-2.9028679276,0.0050992089,0.0050992089,GGA+U,F-43m,AB6CD_cF36_216_a_g_c_b:Cs-F-Mn-Rb,9.0,AB6CD_cF36_216_a_g_c_b:Cs-F-Mn-Rb +mp-555014,Rb2MnF5,-5.558675035,-2.9736152507,0.0,-0.0347233488,GGA+U,P4/mmm,A5BC2_tP8_123_bj_a_e:F-Mn-Rb,8.0,A5BC2_tP8_123_bj_a_e:F-Mn-Rb +mp-1213717,Cs2SbF5,-4.8014473409,-2.8667972382,0.0535426278,-0.004170495,GGA,Pnma,A2B5C_oP32_62_2c_a2cd_c:Cs-F-Sb,32.0,A2B5C_oP32_62_2c_a2cd_c:Cs-F-Sb +mp-1214796,Cs2SbF5,-4.8549899688,-2.920339866,0.0,-0.0577131228,GGA,Cmcm,A2B5C_oC32_63_2c_ch_c:Cs-F-Sb,16.0,A2B5C_oC32_63_2c_ch_c:Cs-F-Sb +mp-1113146,Cs2SbAuF6,-4.432030795,-2.3657746161,0.2569155555,0.2569155555,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Sb +mp-1206735,Cs3SbF6,-4.632678801,-2.8042705849000003,0.100518115,0.100518115,GGA,R-3m,A3B6C_hR30_166_d_h_a:Cs-F-Sb,10.0,A3B6C_hR30_166_d_h_a:Cs-F-Sb +mp-1112602,Cs3SbF6,-4.676511911,-2.8481036949,0.056685005,0.056685005,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Sb,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Sb +mp-554764,Sb3Au3F22,-4.4151441537,-2.1201017606,0.0,-0.0135952553,GGA,Pc,A3B22C3_mP112_7_6a_44a_6a:Au-F-Sb,112.0,"Invalid WP multiplicities - A3B22C3_mP112_7_11a_84a_12a:Au-F-Sb, expected Sb12Au11F84 to be Sb3Au3F22" +mp-29296,CsSbF4,-4.9810275596,-2.8693076459,0.0,-0.0104402085,GGA,Pbam,AB4C_oP48_55_gh_gh3i_gh:Cs-F-Sb,48.0,"Invalid WP multiplicities - AB4C_oP48_55_gh_gh4i_gh:Cs-F-Sb, expected CsSbF5 to be CsSbF4" +mp-683925,CsSb3F16,-4.9206985487,-2.7273950701,0.0,-0.0008799571,GGA,Pca2_1,AB16C3_oP160_29_2a_32a_6a:Cs-F-Sb,160.0,"Invalid WP multiplicities - AB16C3_oP160_29_5a_124a_21a:Cs-F-Sb, expected Cs5Sb21F124 to be CsSb3F16" +mp-30109,Sb2(AuF6)3,-4.2530604043,-1.9710486698,0.0,-0.000130746,GGA,P2_1/c,A3B18C2_mP46_14_ae_9e_e:Au-F-Sb,46.0,"Invalid WP multiplicities - A3B18C2_mP46_14_ae_11e_e:Au-F-Sb, expected Sb2Au3F22 to be Sb2(AuF6)3" +mp-9636,CsSbF6,-4.9873992312,-2.9257395541,0.0,-0.1280140419,GGA,R-3,AB6C_hR24_148_a_f_b:Cs-F-Sb,8.0,AB6C_hR24_148_a_f_b:Cs-F-Sb +mp-561569,CsSb2F7,-5.05075094,-2.7973751775,0.012314317,-0.0007476922,GGA,C2/c,AB7C2_mC40_15_e_c3f_f:Cs-F-Sb,20.0,"Invalid WP multiplicities - AB7C2_mC40_15_e_2a11f_f:Cs-F-Sb, expected CsSb2F24 to be CsSb2F7" +mp-556583,CsSb2F7,-5.063065257,-2.8096894945,0.0,-0.0130620092,GGA,C2/c,AB7C2_mC40_15_c_e3f_f:Cs-F-Sb,20.0,"Invalid WP multiplicities - AB7C2_mC40_15_a_e11f_f:Cs-F-Sb, expected CsSb2F23 to be CsSb2F7" +mp-1188510,CsSb2F7,-4.949037604,-2.6956618415,0.114027653,0.1009656438,GGA,C2/c,AB7C2_mC40_15_e_c3f_f:Cs-F-Sb,20.0,AB7C2_mC40_15_e_a3f_f:Cs-F-Sb +mp-1213089,CsSb4F13,-5.0323692694,-2.6845562745,0.0708744422,0.0708744422,GGA,I4/m,AB13C4_tI36_87_a_bhi_h:Cs-F-Sb,18.0,AB13C4_tI36_87_a_bhi_h:Cs-F-Sb +mp-556061,CsSb2F11,-4.9470081157,-2.7913171518,0.0,-0.0072522292,GGA,P2_1/c,AB11C2_mP56_14_e_11e_2e:Cs-F-Sb,56.0,"Invalid WP multiplicities - AB11C2_mP56_14_e_41e_3e:Cs-F-Sb, expected CsSb3F41 to be CsSb2F11" +mp-15239,Nd3Ga5O12,-7.346555981,-2.9062966338000003,0.0,-0.0409309434,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Ga-Nd-O,80.0,A5B3C12_cI160_230_ad_c_h:Ga-Nd-O +mp-11773,Nd3GaO6,-8.1529145385,-3.4516474798,0.0,-0.0096089062,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Ga-Nd-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Ga-Nd-O +mp-1210408,Nd3Tm2(GaO4)3,-7.949563607,-3.3645303197,0.0,-0.0250944572,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-Nd-O-Tm,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ga-Nd-O-Tm +mp-1208125,Tm3Ga5O12,-7.387906927399999,-2.9914943815,0.0,-0.0199407321,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Tm,80.0,A5B12C3_cI160_230_ad_h_c:Ga-O-Tm +mp-559770,Nd4Ga2O9,-7.9718798705,-3.3286145254,0.0018438774,0.0018438774,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Ga-Nd-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_3e_12e_34e:Ga-Nd-O, expected Nd12Ga3O34 to be Nd4Ga2O9" +mp-3196,NdGaO3,-7.581744754,-3.0544828363,0.0335974128,0.0335974128,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Ga-Nd-O +mp-9834,NdGaO3,-6.149087994,-1.6218260762,1.4662541728,1.4662541728,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ga-Nd-O,5.0,ABC3_cP5_221_a_b_c:Ga-Nd-O +mp-754578,TmGaO3,-7.6298202355,-3.1610207196,0.0508753261,0.0508753261,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ga-O-Tm, expected TmGaO7 to be TmGaO3" +mp-768469,TmGaO3,-7.6742843667,-3.2054848507,0.0064111949,0.0064111949,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ga-O-Tm,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b11c_a2b:Ga-O-Tm, expected Tm5Ga3O40 to be TmGaO3" +mp-1101269,TmGaO3,-7.652406986,-3.1836074701,0.0282885756,0.0282885756,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Ga-O-Tm,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_2b3f_a:Ga-O-Tm, expected TmGaO8 to be TmGaO3" +mp-753199,Li3Cu2F8,-4.6245119931000005,-2.3770494023,0.05574731,0.05574731,GGA,P1,A2B8C3_aP13_1_2a_8a_3a:Cu-F-Li,13.0,A2B8C3_aP13_1_2a_8a_3a:Cu-F-Li +mp-761910,Li3Cu2F8,-4.6519109631,-2.4044483723,0.02834834,0.02834834,GGA,P2_1/c,A2B8C3_mP26_14_e_4e_ae:Cu-F-Li,26.0,"Invalid WP multiplicities - A2B8C3_mP26_14_e_7e_a2e:Cu-F-Li, expected Li5Cu2F14 to be Li3Cu2F8" +mp-863372,LiCu2F6,-4.4832233183,-2.0858666504,0.0210865572,0.0012026378,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Cu-F-Li,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_7e_23e_e:Cu-F-Li, expected LiCu7F23 to be LiCu2F6" +mp-753089,LiCu2F6,-4.4622408828,-2.0648842148,0.0420689928,0.0221850733,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Cu-F-Li,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_9f_e:Cu-F-Li, expected LiCu2F18 to be LiCu2F6" +mp-758265,LiCu2F6,-4.5043098756,-2.1069532076,0.0,-0.0198839194,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Cu-F-Li,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_3f2j_a:Cu-F-Li, expected LiCu2F14 to be LiCu2F6" +mp-752773,Li4CuF5,-4.827119873,-2.6978905756,0.106806067,0.106806067,GGA,I4/m,AB5C4_tI20_87_a_bh_h:Cu-F-Li,10.0,"Invalid WP multiplicities - AB5C4_tI20_87_a_b2h_h:Cu-F-Li, expected Li4CuF9 to be Li4CuF5" +mp-758720,Li5CuF6,-4.8651005650000005,-2.7723759976,0.0925286375,0.0925286375,GGA,C2/m,AB6C5_mC24_12_a_ij_dgh:Cu-F-Li,12.0,"Invalid WP multiplicities - AB6C5_mC24_12_a_i2j_c2g2h:Cu-F-Li, expected Li9CuF10 to be Li5CuF6" +mp-760782,Li5CuF6,-4.8400200422,-2.7472954749,0.1176091603,0.1176091603,GGA,C2/m,AB6C5_mC72_12_ai_3i3j_dghi2j:Cu-F-Li,36.0,"Invalid WP multiplicities - AB6C5_mC72_12_ai_6i11j_d2g2h2i6j:Cu-F-Li, expected Li37Cu3F56 to be Li5CuF6" +mp-754095,Li3Cu4F9,-4.6000622144,-2.1421305902,0.06487725,0.06487725,GGA,P1,A4B9C3_aP16_1_4a_9a_3a:Cu-F-Li,16.0,A4B9C3_aP16_1_4a_9a_3a:Cu-F-Li +mp-760002,Li3Cu2F7,-4.7126753825000005,-2.4372141565,0.0522280233,0.0522280233,GGA,P2_1/c,A2B7C3_mP48_14_2e_7e_3e:Cu-F-Li,48.0,"Invalid WP multiplicities - A2B7C3_mP48_14_3e_27e_9e:Cu-F-Li, expected Li3CuF9 to be Li3Cu2F7" +mp-22439,Li2MoF6,-5.8799970611,-2.9764004335000003,0.0,-0.0753214447,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Mo,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2fj_e_a:F-Li-Mo, expected Li2MoF8 to be Li2MoF6" +mp-760786,Li2Cu3F11,-4.3289074506,-2.0075490515,0.0284216853,0.0284216853,GGA,Pm,A3B11C2_mP32_6_3c_3a3b8c_2a2b:Cu-F-Li,32.0,A3B11C2_mP32_6_3c_3a3b8c_2a2b:Cu-F-Li +mp-1178131,Li2Cu3F11,-4.3295340455,-2.0081756464,0.0277950905,0.0277950905,GGA,P2_1/m,A3B11C2_mP64_11_3f_6e8f_4e:Cu-F-Li,64.0,"Invalid WP multiplicities - A3B11C2_mP64_11_5f_11e16f_7e:Cu-F-Li, expected Li7Cu10F43 to be Li2Cu3F11" +mp-1177454,Li4Cu3F12,-4.5302557396,-2.2738842087,0.0977416703,0.0977416703,GGA,P2_1/c,A3B12C4_mP76_14_3e_12e_4e:Cu-F-Li,76.0,"Invalid WP multiplicities - A3B12C4_mP76_14_5e_45e_7e:Cu-F-Li, expected Li7Cu5F45 to be Li4Cu3F12" +mp-759433,Li3CuF5,-4.7960007744,-2.6422929847,0.0726500011,0.0726500011,GGA,C2/c,AB5C3_mC36_15_a_e2f_ef:Cu-F-Li,18.0,"Invalid WP multiplicities - AB5C3_mC36_15_c_2e7f_e2f:Cu-F-Li, expected Li5CuF16 to be Li3CuF5" +mp-761262,LiCuF3,-4.673167987,-2.3246546992,0.029486997,0.029486997,GGA,P1,AB3C_aP20_1_4a_12a_4a:Cu-F-Li,20.0,"Invalid WP multiplicities - AB3C_mP20_7_3a_12a_3a:Cu-F-Li, expected LiCuF4 to be LiCuF3" +mp-753405,LiCuF3,-4.6835011735,-2.3349878857,0.0191538105,0.0191538105,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cu-F-Li,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Cu-F-Li, expected LiCuF9 to be LiCuF3" +mp-760814,LiCuF3,-4.630067146,-2.2815538582,0.072587838,0.072587838,GGA,Amm2,AB3C_oC40_38_2c_2b2cdf_abd:Cu-F-Li,20.0,"Invalid WP multiplicities - AB3C_oC40_38_2c_2b2c2d2f_abd:Cu-F-Li, expected Li2Cu2F9 to be LiCuF3" +mp-758052,LiCuF3,-4.691166396,-2.3426531082,0.011488588,0.011488588,GGA,R3c,AB3C_hR30_161_a_b_a:Cu-F-Li,10.0,AB3C_hR30_161_a_b_a:Cu-F-Li +mp-761897,LiCuF3,-4.6612574597,-2.3127441718,0.0413975243,0.0413975243,GGA,P6_122,AB3C_hP30_178_b_ac_b:Cu-F-Li,30.0,"Invalid WP multiplicities - AB3C_hP30_178_b_6a6c_b:Cu-F-Li, expected LiCuF18 to be LiCuF3" +mp-759169,Li2CuF6,-4.3782714383,-2.2242796374,0.0,-0.0369114904,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cu-F-Li,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_2f3j_e:Cu-F-Li, expected Li2CuF16 to be Li2CuF6" +mp-867599,Li2Cu3F9,-4.5224399114,-2.1425273078,0.0534816983,0.0534816983,GGA,P-1,A3B9C2_aP28_2_3i_9i_2i:Cu-F-Li,28.0,"Invalid WP multiplicities - A3B9C2_aP28_2_5i_17i_3i:Cu-F-Li, expected Li3Cu5F17 to be Li2Cu3F9" +mp-883022,Li2Cu3F9,-3.8557878457,-1.4758752421,0.7201337640000001,0.7201337640000001,GGA,P-1,A3B9C2_aP28_2_3i_9i_2i:Cu-F-Li,28.0,"Invalid WP multiplicities - A3B9C2_aP28_2_5i_17i_3i:Cu-F-Li, expected Li3Cu5F17 to be Li2Cu3F9" +mp-752895,Li3CuF4,-4.7983552838,-2.6143688913,0.1000157625,0.1000157625,GGA,Pmn2_1,AB4C3_oP16_31_a_2ab_ab:Cu-F-Li,16.0,"Invalid WP multiplicities - AB4C3_oP16_31_a_4a2b_2a2b:Cu-F-Li, expected Li6CuF8 to be Li3CuF4" +mp-758689,Li3CuF4,-4.8115976937,-2.6276113012,0.0867733525,0.0867733525,GGA,P6_3/mmc,AB4C3_hP16_194_c_ef_af:Cu-F-Li,16.0,"Invalid WP multiplicities - AB4C3_hP16_194_c_3e3f_af:Cu-F-Li, expected Li3CuF12 to be Li3CuF4" +mp-760773,LiCu2F7,-4.27869238,-1.9299234821,0.0001983155,0.0001983155,GGA,P1,A2B7C_aP20_1_4a_14a_2a:Cu-F-Li,20.0,A2B7C_aP20_1_4a_14a_2a:Cu-F-Li +mp-758841,LiCu2F7,-4.2154093548,-1.8666404568,0.0634813408,0.0634813408,GGA,Pna2_1,A2B7C_oP80_33_4a_14a_2a:Cu-F-Li,80.0,"Invalid WP multiplicities - A2B7C_oP80_33_13a_53a_5a:Cu-F-Li, expected Li5Cu13F53 to be LiCu2F7" +mp-760353,LiCu2F7,-4.193505331,-1.8447364331,0.0853853645,0.0853853645,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Cu-F-Li,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_7e_25e_e:Cu-F-Li, expected LiCu7F25 to be LiCu2F7" +mp-760825,LiCu3F10,-4.1892467636,-1.8091515813,0.0,-0.0421477166,GGA,Pc,A3B10C_mP28_7_3a_10a_a:Cu-F-Li,28.0,"Invalid WP multiplicities - A3B10C_mP28_7_6a_20a_a:Cu-F-Li, expected LiCu6F20 to be LiCu3F10" +mp-759131,LiCu3F10,-4.1757262161,-1.7956310338,0.0135205475,-0.0286271691,GGA,Cc,A3B10C_mC112_9_6a_20a_2a:Cu-F-Li,56.0,"Invalid WP multiplicities - A3B10C_mC112_9_11a_38a_4a:Cu-F-Li, expected Li4Cu11F38 to be LiCu3F10" +mp-760799,LiCu3F10,-4.1464446196,-1.7663494374000002,0.0428021439,0.0006544273,GGA,Pmma,A3B10C_oP28_51_cg_aejkl_f:Cu-F-Li,28.0,"Invalid WP multiplicities - A3B10C_oP28_51_2cg_2aej2k2l_f:Cu-F-Li, expected LiCu4F17 to be LiCu3F10" +mp-752835,Li2Cu2F5,-4.662608715,-2.2655360582,0.0480203106,0.0480203106,GGA,P-1,A2B5C2_aP18_2_2i_5i_2i:Cu-F-Li,18.0,"Invalid WP multiplicities - A2B5C2_aP18_2_3i_9i_3i:Cu-F-Li, expected LiCuF3 to be Li2Cu2F5" +mp-762259,Li2Cu2F5,-4.6654115867,-2.2683389299,0.0452174389,0.0452174389,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Cu-F-Li,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_3e_15e_3e:Cu-F-Li, expected LiCuF5 to be Li2Cu2F5" +mp-753388,Li2Cu2F5,-4.6322785194,-2.2352058627,0.0783505061,0.0783505061,GGA,C2/c,A2B5C2_mC36_15_f_acef_f:Cu-F-Li,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_2a2c2e4f_f:Cu-F-Li, expected LiCuF7 to be Li2Cu2F5" +mp-761886,Li2Cu2F5,-4.6635221578,-2.266449501,0.0471068678,0.0471068678,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-F-Li,36.0,"Invalid WP multiplicities - A2B5C2_oP36_33_5a_17a_5a:Cu-F-Li, expected Li5Cu5F17 to be Li2Cu2F5" +mp-762270,Li2Cu2F5,-4.6524116922,-2.2553390355,0.0582173333,0.0582173333,GGA,Pnma,A2B5C2_oP36_62_2c_5c_2c:Cu-F-Li,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_5c_17c_5c:Cu-F-Li, expected Li5Cu5F17 to be Li2Cu2F5" +mp-762326,Li2CuF5,-4.6395779606000005,-2.4552720555,0.0055171099,0.0055171099,GGA,P-1,AB5C2_aP16_2_be_5i_2i:Cu-F-Li,16.0,"Invalid WP multiplicities - AB5C2_aP16_2_be_9i_3i:Cu-F-Li, expected Li3CuF9 to be Li2CuF5" +mp-781976,Li2CuF5,-4.6241190753,-2.4398131702,0.0209759952,0.0209759952,GGA,P2_1/c,AB5C2_mP32_14_ab_5e_2e:Cu-F-Li,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_ad_19e_3e:Cu-F-Li, expected Li3CuF19 to be Li2CuF5" +mp-760798,Li2CuF5,-4.5747495081,-2.390443603,0.0703455624,0.0703455624,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cu-F-Li,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_13e_3e:Cu-F-Li, expected Li3CuF13 to be Li2CuF5" +mp-859100,Li2CuF5,-4.5462979541,-2.361992049,0.0987971165,0.0987971165,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cu-F-Li,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_19e_7e:Cu-F-Li, expected Li7CuF19 to be Li2CuF5" +mp-762337,Li2CuF5,-4.5891519925,-2.4048460874,0.055943078,0.055943078,GGA,Pbam,AB5C2_oP16_55_a_cgh_h:Cu-F-Li,16.0,"Invalid WP multiplicities - AB5C2_oP16_55_a_2c2g4h_h:Cu-F-Li, expected Li2CuF14 to be Li2CuF5" +mp-765512,Li2CuF5,-4.5802177231,-2.395911818,0.0648773474,0.0648773474,GGA,Pnma,AB5C2_oP32_62_c_a2cd_2c:Cu-F-Li,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_2a6c4d_5c:Cu-F-Li, expected Li5CuF16 to be Li2CuF5" +mp-759235,Li2CuF5,-4.6209005919,-2.4365946868,0.0241944786,0.0241944786,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Cu-F-Li,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_2c3f_f:Cu-F-Li, expected Li2CuF8 to be Li2CuF5" +mp-752742,LiCu2F4,-4.5423343621,-2.006155494,0.0638613807,0.0638613807,GGA,P2_1/m,A2B4C_mP14_11_f_aef_e:Cu-F-Li,14.0,"Invalid WP multiplicities - A2B4C_mP14_11_f_ae2f_e:Cu-F-Li, expected LiCu2F6 to be LiCu2F4" +mp-761893,Li2Cu3F7,-4.5821040321,-2.1241191558,0.0642830612,0.0642830612,GGA,Pbam,A3B7C2_oP24_55_ag_dg2h_h:Cu-F-Li,24.0,"Invalid WP multiplicities - A3B7C2_oP24_55_2a2g_2d2g8h_h:Cu-F-Li, expected LiCu3F11 to be Li2Cu3F7" +mp-1111143,Li2CuMoF6,-5.28639675,-2.2632391182,0.415521272,0.415521272,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Mo +mp-753171,Li2CuF4,-4.7946292879,-2.5713481060000003,0.0147372764,0.0147372764,GGA,Pc,AB4C2_mP14_7_a_4a_2a:Cu-F-Li,14.0,"Invalid WP multiplicities - AB4C2_mP14_7_a_6a_2a:Cu-F-Li, expected Li2CuF6 to be Li2CuF4" +mp-762222,Li2CuF4,-4.7837964804,-2.5605152985,0.0255700839,0.0255700839,GGA,P2_1/c,AB4C2_mP28_14_e_4e_2e:Cu-F-Li,28.0,"Invalid WP multiplicities - AB4C2_mP28_14_e_13e_5e:Cu-F-Li, expected Li5CuF13 to be Li2CuF4" +mp-758320,Li2CuF4,-4.7909898393,-2.5677086574,0.018376725,0.018376725,GGA,P2_1/c,AB4C2_mP14_14_a_2e_e:Cu-F-Li,14.0,"Invalid WP multiplicities - AB4C2_mP14_14_a_3e_e:Cu-F-Li, expected Li2CuF6 to be Li2CuF4" +mp-752843,Li2CuF4,-4.7520485,-2.5287673181,0.0573180643,0.0573180643,GGA,Cmmm,AB4C2_oC14_65_a_gj_f:Cu-F-Li,7.0,"Invalid WP multiplicities - AB4C2_oC14_65_a_2gj_f:Cu-F-Li, expected Li2CuF6 to be Li2CuF4" +mp-753123,Li2CuF4,-4.7888080486,-2.5655268667,0.0205585157,0.0205585157,GGA,Cmce,AB4C2_oC28_64_a_df_e:Cu-F-Li,14.0,"Invalid WP multiplicities - AB4C2_oC28_64_a_2df_e:Cu-F-Li, expected Li2CuF6 to be Li2CuF4" +mp-758688,Li2CuF4,-4.7535973936,-2.5303162117,0.0557691707,0.0557691707,GGA,P4/ncc,AB4C2_tP28_130_c_g_f:Cu-F-Li,28.0,AB4C2_tP28_130_c_g_f:Cu-F-Li +mp-757235,Li2CuF4,-4.7784196014,-2.5551384195,0.0309469629,0.0309469629,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Cu-F-Li,14.0,AB4C2_tI28_141_a_h_d:Cu-F-Li +mp-760122,Li2CuF4,-4.7154988438,-2.4922176619,0.0938677205,0.0938677205,GGA,R-3,AB4C2_hR126_148_f_4f_2f:Cu-F-Li,42.0,"Invalid WP multiplicities - AB4C2_hR126_148_f_19f_7f:Cu-F-Li, expected Li7CuF19 to be Li2CuF4" +mp-753148,Li2Cu7F16,-4.4705424772,-1.9467042411,0.0827162944,0.0827162944,GGA,P-1,A7B16C2_aP25_2_a3i_8i_i:Cu-F-Li,25.0,"Invalid WP multiplicities - A7B16C2_aP25_2_a6i_15i_i:Cu-F-Li, expected Li2Cu13F30 to be Li2Cu7F16" +mp-752898,LiCu3F7,-4.5383053895,-2.0304057851,0.0285348559,0.0285348559,GGA,C2/c,A3B7C_mC44_15_acd_e3f_b:Cu-F-Li,22.0,"Invalid WP multiplicities - A3B7C_mC44_15_a2c2d_2e11f_b:Cu-F-Li, expected LiCu5F24 to be LiCu3F7" +mp-760784,Li3Cu4F15,-4.3564108391,-2.0475117576,0.0365721334,0.0365721334,GGA,Pmn2_1,A4B15C3_oP88_31_8a_30a_6a:Cu-F-Li,88.0,"Invalid WP multiplicities - A4B15C3_oP88_31_16a_60a_11a:Cu-F-Li, expected Li11Cu16F60 to be Li3Cu4F15" +mp-758189,Li2Cu3F8,-4.5468583808,-2.1309124205,0.0983365215,0.0983365215,GGA,P1,A3B8C2_aP13_1_3a_8a_2a:Cu-F-Li,13.0,"Invalid WP multiplicities - A3B8C2_mC26_5_a2c_6c_c:Cu-F-Li, expected Li2Cu5F12 to be Li2Cu3F8" +mp-753387,Li2Cu3F8,-4.5990769308,-2.1831309705,0.0461179715,0.0461179715,GGA,P-1,A3B8C2_aP13_2_abc_4i_i:Cu-F-Li,13.0,"Invalid WP multiplicities - A3B8C2_aP13_2_abc_7i_i:Cu-F-Li, expected Li2Cu3F14 to be Li2Cu3F8" +mp-753572,Li2Cu3F8,-4.6060683931,-2.1901224328,0.0391265092,0.0391265092,GGA,Cc,A3B8C2_mC52_9_3a_8a_2a:Cu-F-Li,26.0,"Invalid WP multiplicities - A3B8C2_mC52_9_5a_15a_4a:Cu-F-Li, expected Li4Cu5F15 to be Li2Cu3F8" +mp-759717,Li2Cu3F8,-4.600953979,-2.1850080188,0.0442409233,0.0442409233,GGA,P4_332,A3B8C2_cP52_212_d_ce_c:Cu-F-Li,52.0,"Invalid WP multiplicities - A3B8C2_cP52_212_d_8c9e_c:Cu-F-Li, expected Li2Cu3F70 to be Li2Cu3F8" +mp-760790,LiCuF4,-4.3982152133,-2.1225409789,0.0898446567,0.0430754436,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Cu-F-Li,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:Cu-F-Li, expected Li5Cu5F23 to be LiCuF4" +mp-881629,LiCuF4,-3.830621235,-1.5549470006,0.657438635,0.6106694219000001,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Cu-F-Li,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:Cu-F-Li, expected Li5Cu5F23 to be LiCuF4" +mp-867741,LiCuF4,-4.4357321208,-2.1600578864,0.0523277492,0.0055585361,GGA,Cm,AB4C_mC48_8_4a_16a_4a:Cu-F-Li,24.0,"Invalid WP multiplicities - AB4C_mC48_12_3i_ac13i_3i:Cu-F-Li, expected Li3Cu3F14 to be LiCuF4" +mp-765341,LiCuF4,-4.4609978021,-2.1853235676,0.0270620679,-0.0197071451,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cu-F-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Cu-F-Li, expected LiCuF11 to be LiCuF4" +mp-753257,LiCuF4,-4.48805987,-2.2123856356,0.0,-0.0467692131,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Cu-F-Li,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_3e_d:Cu-F-Li, expected LiCuF6 to be LiCuF4" +mp-753342,LiCuF4,-4.4116683967,-2.1359941622,0.0763914733,0.0296222603,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Cu-F-Li,12.0,"Invalid WP multiplicities - AB4C_oC24_36_a_8a_a:Cu-F-Li, expected LiCuF8 to be LiCuF4" +mp-753273,LiCuF4,-4.4683347754,-2.192660541,0.0197250946,-0.0270441185,GGA,Pbcn,AB4C_oP24_60_c_2d_a:Cu-F-Li,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_a:Cu-F-Li, expected LiCuF10 to be LiCuF4" +mp-758283,LiCuF4,-4.4147859996,-2.1391117651,0.0732738704,0.0265046574,GGA,Pnma,AB4C_oP48_62_d_2c3d_2c:Cu-F-Li,48.0,"Invalid WP multiplicities - AB4C_oP48_62_d_8c9d_5c:Cu-F-Li, expected Li5Cu2F26 to be LiCuF4" +mp-753541,LiCuF4,-4.4445186842,-2.1688444497,0.0435411858,-0.0032280272,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Cu-F-Li,12.0,AB4C_tI24_140_d_l_a:Cu-F-Li +mp-753031,LiCu5F12,-4.4807920422,-1.9617529407,0.0,-0.0018064561,GGA,Cmmm,A5B12C_oC36_65_akl_gjno_c:Cu-F-Li,18.0,"Invalid WP multiplicities - A5B12C_oC36_65_a2kl_2gj2n2o_c:Cu-F-Li, expected LiCu7F22 to be LiCu5F12" +mp-758696,Li2Cu2F7,-4.5784604373,-2.2696775422,0.0298195545,0.0298195545,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Cu-F-Li,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Cu-F-Li, expected Li3Cu3F13 to be Li2Cu2F7" +mp-753090,Li2Cu2F7,-4.5535058468,-2.2447229517,0.054774145,0.054774145,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Cu-F-Li,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Cu-F-Li, expected Li3Cu3F13 to be Li2Cu2F7" +mp-760131,Li2Cu2F7,-4.5612300577,-2.2524471627,0.0470499341,0.0470499341,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Cu-F-Li,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Cu-F-Li, expected Li7Cu7F27 to be Li2Cu2F7" +mp-762266,Li2Cu2F7,-4.5418893727,-2.2331064777,0.0663906191,0.0663906191,GGA,Cm,A2B7C2_mC22_8_2a_7a_2a:Cu-F-Li,11.0,A2B7C2_mC22_8_2a_7a_2a:Cu-F-Li +mp-760304,Li2Cu2F7,-4.5152084686,-2.2064255736,0.0930715232,0.0930715232,GGA,Pna2_1,A2B7C2_oP44_33_2a_7a_2a:Cu-F-Li,44.0,"Invalid WP multiplicities - A2B7C2_oP44_33_5a_25a_5a:Cu-F-Li, expected LiCuF5 to be Li2Cu2F7" +mp-867561,Li2Cu2F7,-4.5233658323,-2.2145829372,0.0849141595,0.0849141595,GGA,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:Cu-F-Li,22.0,"Invalid WP multiplicities - A2B7C2_oC44_36_3a_13a_3a:Cu-F-Li, expected Li3Cu3F13 to be Li2Cu2F7" +mp-863404,Li2Cu2F7,-4.5387330141,-2.229950119,0.0695469777,0.0695469777,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Cu-F-Li,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Cu-F-Li, expected LiCuF10 to be Li2Cu2F7" +mp-1111287,Li3MoF6,-5.562349429,-2.7582201775,0.2479111055,0.2479111055,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Mo,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Mo +mp-758101,Li4Cu3F10,-4.6619672671,-2.3650201405,0.0846277794,0.0846277794,GGA,P-1,A3B10C4_aP17_2_bi_ac4i_2i:Cu-F-Li,17.0,"Invalid WP multiplicities - A3B10C4_aP17_2_b2i_ac7i_3i:Cu-F-Li, expected Li6Cu5F16 to be Li4Cu3F10" +mp-760791,Li4Cu5F17,-4.4979344302,-2.1661318431,0.0496939669,0.0496939669,GGA,P-1,A5B17C4_aP52_2_5i_17i_4i:Cu-F-Li,52.0,"Invalid WP multiplicities - A5B17C4_aP52_2_9i_33i_7i:Cu-F-Li, expected Li7Cu9F33 to be Li4Cu5F17" +mp-753130,Li4CuF7,-4.7106351483,-2.6176975726,0.0848192632,0.0848192632,GGA,C2/c,AB7C4_mC48_15_e_e3f_2f:Cu-F-Li,24.0,"Invalid WP multiplicities - AB7C4_mC48_15_e_e10f_3f:Cu-F-Li, expected Li6CuF21 to be Li4CuF7" +mp-759877,Li4CuF7,-4.7571521508,-2.6642145751,0.0383022607,0.0383022607,GGA,F-43m,AB7C4_cF48_216_a_cf_e:Cu-F-Li,12.0,"Invalid WP multiplicities - AB7C4_cF48_216_a_c2f_e:Cu-F-Li, expected Li4CuF13 to be Li4CuF7" +mp-760015,Li6Cu5F14,-4.6595283034,-2.3111172596,0.078747233,0.078747233,GGA,Cmc2_1,A5B14C6_oC100_36_a2b_4a5b_2a2b:Cu-F-Li,50.0,"Invalid WP multiplicities - A5B14C6_oC100_36_a6b_8a19b_4a7b:Cu-F-Li, expected Li18Cu13F46 to be Li6Cu5F14" +mp-759901,Li3CuF6,-4.7183339765,-2.588849069,0.0209822143,0.0123604535,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Cu-F-Li,20.0,"Invalid WP multiplicities - AB6C3_mP20_14_a_9e_2b3e:Cu-F-Li, expected Li8CuF18 to be Li3CuF6" +mp-760255,Li3CuF6,-4.7393161908,-2.6098312833,0.0,-0.0086217608,GGA,C2/c,AB6C3_mC120_15_af_9f_e4f:Cu-F-Li,60.0,"Invalid WP multiplicities - AB6C3_mC120_15_2c2f_31f_2e13f:Cu-F-Li, expected Li14Cu3F31 to be Li3CuF6" +mp-759234,Li3CuF6,-4.737802726,-2.6083178185,0.0015134648,-0.007108296,GGA,Pna2_1,AB6C3_oP40_33_a_6a_3a:Cu-F-Li,40.0,"Invalid WP multiplicities - AB6C3_oP40_33_a_21a_9a:Cu-F-Li, expected Li9CuF21 to be Li3CuF6" +mp-759657,Li3CuF6,-4.6832066485,-2.553721741,0.0561095423,0.0474877815,GGA,Pbcm,AB6C3_oP80_57_cd_2d5e_3e:Cu-F-Li,80.0,"Invalid WP multiplicities - AB6C3_oP80_57_2cd_4d9e_5e:Cu-F-Li, expected Li10Cu3F22 to be Li3CuF6" +mp-753063,Li3CuF6,-4.7384972445,-2.609012337,0.0008189463,-0.0078028145,GGA,R-3,AB6C3_hR60_148_ab_2f_f:Cu-F-Li,20.0,"Invalid WP multiplicities - AB6C3_hR60_148_ab_7f_f:Cu-F-Li, expected Li3CuF21 to be Li3CuF6" +mp-760812,Li3CuF6,-4.686914952,-2.5574300445,0.0524012388,0.043779478,GGA,Pn-3,AB6C3_cP40_201_b_h_acd:Cu-F-Li,40.0,"Invalid WP multiplicities - AB6C3_cP40_201_b_h_2a3c4d:Cu-F-Li, expected Li10CuF6 to be Li3CuF6" +mp-759224,Li5CuF8,-4.8180578921,-2.7512255533000003,0.0174952485,0.0174952485,GGA,Cmmm,AB8C5_oC28_65_a_ghn_dm:Cu-F-Li,14.0,"Invalid WP multiplicities - AB8C5_oC28_65_a_2g2hn_d2m:Cu-F-Li, expected Li9CuF12 to be Li5CuF8" +mp-753202,Li5CuF8,-4.83468067,-2.7678483312,0.0008724706,0.0008724706,GGA,R-3m,AB8C5_hR42_166_a_ch_cd:Cu-F-Li,14.0,"Invalid WP multiplicities - AB8C5_hR42_166_a_2c3h_2c2d:Cu-F-Li, expected Li10CuF22 to be Li5CuF8" +mp-757119,LiCu2F5,-4.5272235594,-2.0691321789,0.0820587919,0.0820587919,GGA,C2/c,A2B5C_mC32_15_ac_e2f_e:Cu-F-Li,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_2a2c_e8f_e:Cu-F-Li, expected LiCu4F17 to be LiCu2F5" +mp-867590,LiCu2F5,-4.5132937091,-2.0552023285,0.0959886422,0.0959886422,GGA,Pnma,A2B5C_oP32_62_d_c2d_c:Cu-F-Li,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_d_3c6d_c:Cu-F-Li, expected LiCu2F15 to be LiCu2F5" +mp-752721,LiCu2F5,-4.5741445988,-2.1160532182,0.0351377525,0.0351377525,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Cu-F-Li,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Cu-F-Li, expected LiCu2F9 to be LiCu2F5" +mp-781864,LiCu2F5,-4.5080125011,-2.0499211206,0.1012698502,0.1012698502,GGA,P4_2/nbc,A2B5C_tP64_133_k_j2k_ac:Cu-F-Li,64.0,"Invalid WP multiplicities - A2B5C_tP64_133_k_3j6k_3a4c:Cu-F-Li, expected Li7Cu4F30 to be LiCu2F5" +mp-764801,Li2Cu5F12,-4.5636373921,-2.0767096714,0.0210732137,0.0210732137,GGA,P2/c,A5B12C2_mP38_13_b2g_6g_ae:Cu-F-Li,38.0,"Invalid WP multiplicities - A5B12C2_mP38_13_2b5g_22g_2a2e:Cu-F-Li, expected LiCu3F11 to be Li2Cu5F12" +mp-760811,Li5Cu3F14,-4.5149926941,-2.3057681537,0.0872745945,0.0872745945,GGA,P4/mnc,A3B14C5_tP44_128_ac_ehi_bg:Cu-F-Li,44.0,"Invalid WP multiplicities - A3B14C5_tP44_128_2a2c_2e6h8i_2b2g:Cu-F-Li, expected Li5Cu3F46 to be Li5Cu3F14" +mp-753268,Li6CuF8,-4.89891094,-2.8426058993,0.0527377313,0.0527377313,GGA,C2/m,AB8C6_mC30_12_c_2ij_abei:Cu-F-Li,15.0,"Invalid WP multiplicities - AB8C6_mC30_12_c_4i3j_ab2f2i:Cu-F-Li, expected Li10CuF20 to be Li6CuF8" +mp-753139,Li6CuF8,-4.915201686,-2.8588966453,0.0364469853,0.0364469853,GGA,Fm-3m,AB8C6_cF60_225_a_ce_d:Cu-F-Li,15.0,"Invalid WP multiplicities - AB8C6_cF60_225_a_2ce_d:Cu-F-Li, expected Li6CuF10 to be Li6CuF8" +mp-752831,LiCuF2,-4.6585159938,-2.2007441258,0.0620805838,0.0620805838,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cu-F-Li,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_3e_e:Cu-F-Li, expected LiCuF3 to be LiCuF2" +mp-753098,LiCuF2,-4.7143473275000005,-2.2565754596,0.00624925,0.00624925,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-F-Li,4.0,AB2C_hR12_166_a_c_b:Cu-F-Li +mp-504674,Ba2EuReO6,-8.515720389,-2.8937592758,0.0,-0.0639196189,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Re +mp-698206,Ba5Re3O16,-7.9399052885,-2.6867604704,0.0,-0.1000547679,GGA,P6_3cm,A5B16C3_hP48_185_bc_ac2d_c:Ba-O-Re,48.0,A5B16C3_hP48_185_bc_ac2d_c:Ba-O-Re +mp-754760,Eu(ReO4)2,-9.3106541673,-2.5179663618,0.0,-0.1647548304,GGA,P-3,AB8C2_hP11_147_a_dg_d:Eu-O-Re,11.0,"Invalid WP multiplicities - AB8C2_hP11_147_a_2d3g_d:Eu-O-Re, expected Eu(ReO11)2 to be Eu(ReO4)2" +mp-1019738,BaEu2O4,-9.1232064821,-3.0918159986,0.0,-0.0097574166,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Eu-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Eu-O +mp-976320,EuReO3,-9.868711476,-2.3603924523,0.2097182444,0.2097182444,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Re,5.0,AB3C_cP5_221_a_c_b:Eu-O-Re +mp-754392,BaEuO2,-8.4694377375,-2.9520991969,0.029847105,0.029847105,GGA,R-3m,ABC2_hR12_166_a_b_c:Ba-Eu-O,4.0,ABC2_hR12_166_a_b_c:Ba-Eu-O +mp-1183298,BaReO3,-8.21331388,-2.3726002282,0.1361230297,0.1361230297,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Re,5.0,AB3C_cP5_221_a_c_b:Ba-O-Re +mp-1196150,Ba(ReO6)2,-7.1632061017,-1.4186531787,0.2981385389,0.2981385389,GGA,P2_1/c,AB12C2_mP60_14_e_12e_2e:Ba-O-Re,60.0,AB12C2_mP60_14_e_12e_2e:Ba-O-Re +mp-1197806,Ba16Re6O37,-7.6815436734,-2.793437835,0.0,-0.0697890206,GGA,C2/m,A16B37C6_mC118_12_ac7i_b6i6j_3i:Ba-O-Re,59.0,A16B37C6_mC118_12_bc7i_a6i6j_3i:Ba-O-Re +mp-38972,Ba3Re2O9,-8.0569304614,-2.6879177763,0.0,-0.0323809423,GGA,R-3m,A3B9C2_hR42_166_ac_eh_c:Ba-O-Re,14.0,A3B9C2_hR42_166_ac_eh_c:Ba-O-Re +mp-505390,Ba2ReO5,-7.8690597206,-2.742069643,0.0,-0.0139499839,GGA,Pnma,A2B5C_oP32_62_2c_a2cd_c:Ba-O-Re,32.0,A2B5C_oP32_62_2c_a2cd_c:Ba-O-Re +mp-1203847,Ba10Re3O22,-7.3858405837,-2.6615410808,0.0527554579,0.0527554579,GGA,C2/m,A10B22C3_mC70_12_5i_5i3j_ai:Ba-O-Re,35.0,A10B22C3_mC70_12_5i_5i3j_ai:Ba-O-Re +mp-755985,Eu3ReO8,-9.6985467837,-2.7994599275,0.013550943,0.013550943,GGA,P2_1/m,A3B8C_mP24_11_3e_4e2f_e:Eu-O-Re,24.0,"Invalid WP multiplicities - A3B8C_mP24_11_5e_7e4f_e:Eu-O-Re, expected Eu5ReO15 to be Eu3ReO8" +mp-581427,Eu3ReO7,-10.0413803105,-2.9648027137,0.0,-0.0728556199,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Eu-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_2a2g_2c3g4h_b:Eu-O-Re, expected Eu6ReO24 to be Eu3ReO7" +mp-1214641,BaRe2O9,-8.0900086229,-2.145989647,0.0,-0.0067665615,GGA,P-1,AB9C2_aP48_2_2i_18i_4i:Ba-O-Re,48.0,AB9C2_aP48_2_2i_18i_4i:Ba-O-Re +mp-20209,Eu2ReO5,-10.0205750947,-2.809078302,0.0323831564,0.0323831564,GGA,P4/n,A2B5C_tP32_85_g_ab2g_2c:Eu-O-Re,32.0,A2B5C_tP32_85_g_ab2g_2c:Eu-O-Re +mp-1183310,BaEuO3,-8.183482982,-2.7802744072000003,0.0353090495,0.0353090495,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Eu-O,5.0,ABC3_cP5_221_a_b_c:Ba-Eu-O +mp-1104241,Li2MgH4,-3.1030319229,-0.3903133567,0.0190221729,0.0190221729,GGA,Pbam,A4B2C_oP14_55_gh_g_b:H-Li-Mg,14.0,A4B2C_oP14_55_gh_g_b:H-Li-Mg +mp-697030,Mg2H6Ru,-4.0946321589,-0.4467078356,0.0,-0.1890068872,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:H-Mg-Ru,9.0,A6B2C_cF36_225_e_c_a:H-Mg-Ru +mp-23736,LiMgH3,-3.103539746,-0.3660635357,0.008794132,0.008794132,GGA,R3c,A3BC_hR30_161_b_a_a:H-Li-Mg,10.0,A3BC_hR30_161_b_a_a:H-Li-Mg +mp-643023,Mg2H4Ru,-4.0521679079,-0.3313297907,0.0691399191,0.0691399191,GGA,Cmcm,A4B2C_oC28_63_fg_g_c:H-Mg-Ru,14.0,A4B2C_oC28_63_fg_g_c:H-Mg-Ru +mp-643276,LiMg2H7Ru,-3.9241775364,-0.457544098,0.0,-0.0019594718,GGA,P6_3/mmc,A7BC2D_hP22_194_ck_b_f_a:H-Li-Mg-Ru,22.0,A7BC2D_hP22_194_ck_b_f_a:H-Li-Mg-Ru +mp-642847,Li4H6Ru,-3.9062169282,-0.5183578121,0.0,-0.1579722236,GGA,R-3c,A6B4C_hR66_167_f_ae_b:H-Li-Ru,22.0,A6B4C_hR66_167_f_ae_b:H-Li-Ru +mp-975424,Rb(Mg4Al3)4,-2.4362848666,0.0303332311,0.0561441846,0.0561441846,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Rb,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Rb, expected RbMg49Al48 to be Rb(Mg4Al3)4" +mp-1028262,RbMg14Al,-1.5558724138,0.1397544989,0.1652584986,0.1652584986,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Rb, expected RbMg18Al to be RbMg14Al" +mp-1028239,RbMg14Al,-1.5498369163,0.1457899964,0.1712939961,0.1712939961,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Rb, expected RbMg26Al to be RbMg14Al" +mp-1023300,RbMg6Al,-1.5290440044,0.2619297709,0.2856998985,0.2856998985,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Rb, expected RbMg12Al to be RbMg6Al" +mp-1023304,RbMg6Al,-1.5322967563,0.2586770191,0.2824471466,0.2824471466,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Rb, expected RbMg12Al to be RbMg6Al" +mp-1219581,RbMgAlF6,-5.7069326256,-3.7296810969,0.0,-0.0273177643,GGA,Imma,AB6CD_oI36_74_a_2ej_c_e:Al-F-Mg-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Al-F-Mg-Rb, expected RbMgAlF12 to be RbMgAlF6" +mp-4693,RbAlF4,-5.7004769221,-3.6384726267,0.0003655714,-0.031057511,GGA,Pmmn,AB4C_oP24_59_c_efg_ab:Al-F-Rb,24.0,AB4C_oP24_59_c_efg_ab:Al-F-Rb +mp-5479,RbAlF4,-5.6998415317,-3.6378372362,0.0010009618,-0.0304221206,GGA,P4/mmm,AB4C_tP6_123_b_eg_c:Al-F-Rb,6.0,AB4C_tP6_123_b_eg_c:Al-F-Rb +mp-5259,RbAlF4,-5.7005294458,-3.6385251504,0.0003130477,-0.0311100347,GGA,P4/mbm,AB4C_tP12_127_a_eg_c:Al-F-Rb,12.0,AB4C_tP12_127_a_eg_c:Al-F-Rb +mp-13997,RbAlF4,-5.7008424935,-3.6388381981,0.0,-0.0314230824,GGA,I4/mcm,AB4C_tI120_140_dk_gh2km_al:Al-F-Rb,60.0,"Invalid WP multiplicities - AB4C_tI120_140_dk_gh2k2m_al:Al-F-Rb, expected Rb5Al5F28 to be RbAlF4" +mp-541813,RbMgF3,-5.172563004,-3.509512799,0.0,-0.019426547,GGA,P6_3/mmc,A3BC_hP30_194_hk_af_bf:F-Mg-Rb,30.0,A3BC_hP30_194_hk_af_bf:F-Mg-Rb +mp-559523,RbMgF3,-4.6090990747,-2.9460488697,0.5634639293,0.5440373823,GGA,P6_3/mmc,A3BC_hP30_194_hk_af_bf:F-Mg-Rb,30.0,"Invalid WP multiplicities - A3BC_hP30_194_4h4k_2a2f_bf:F-Mg-Rb, expected RbMg2F12 to be RbMgF3" +mp-8402,RbMgF3,-5.1704084,-3.507358195,0.002154604,-0.017271943,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Mg-Rb,5.0,A3BC_cP5_221_c_b_a:F-Mg-Rb +mp-8861,Rb2MgF4,-4.9456979686,-3.344660245,0.0,-0.0165686814,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Mg-Rb,7.0,A4BC2_tI14_139_ce_a_e:F-Mg-Rb +mp-1113633,Rb3AlF6,-5.212656591,-3.3970514057,0.0,-0.0639330969,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Al-F-Rb +mp-865980,CsAgPSe3,-4.0244987271,-0.7529995079,0.0,-0.049934966,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:Ag-Cs-P-Se,24.0,ABCD3_mP24_14_e_e_e_3e:Ag-Cs-P-Se +mp-17998,Ca(RhO2)2,-7.0108004443,-1.7935189493,0.0,-0.0365471275,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Rh,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-Rh +mp-1446283,Ca3(CuO3)2,-6.1501432873,-2.1596573557,0.1358131339,0.1358131339,GGA,Cm,A3B2C6_mC22_8_3a_2a_6a:Ca-Cu-O,11.0,A3B2C6_mC22_8_3a_2a_6a:Ca-Cu-O +mp-29917,Ca5(CuO2)6,-6.0775157128,-1.9912764104,0.0223535967,0.0223535967,GGA,P2/c,A5B6C12_mP46_13_f2g_ae2g_6g:Ca-Cu-O,46.0,A5B6C12_mP46_13_f2g_ae2g_6g:Ca-Cu-O +mp-1193602,CaRhO3,-6.935578542,-2.0935837653,0.000235908,-0.039039795,GGA,P2_1/m,AB3C_mP30_11_3e_9e_3e:Ca-O-Rh,30.0,AB3C_mP30_11_3e_9e_3e:Ca-O-Rh +mp-1181917,CaRhO3,-6.9220317135,-2.0800369368,0.0137827365,-0.0254929665,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Rh +mp-1078659,CaRhO3,-6.93581445,-2.0938196732,0.0,-0.039275703,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ca-O-Rh,10.0,AB3C_oC20_63_c_cf_a:Ca-O-Rh +mp-1016833,CaRhO3,-6.678481974,-1.8364871973,0.257332476,0.218056773,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Rh,5.0,AB3C_cP5_221_a_c_b:Ca-O-Rh +mp-1147677,Ca(Cu3O4)2,-5.682564544,-1.270941238,0.0306745223,0.0306745223,GGA,Fm-3m,AB6C8_cF60_225_a_d_f:Ca-Cu-O,15.0,AB6C8_cF60_225_a_d_f:Ca-Cu-O +mp-1045684,Ca2Cu9O13,-5.6227914975,-1.2389992877,0.1521626404,0.1521626404,GGA,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Ca-Cu-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Ca-Cu-O +mp-1099873,CaCuO3,-5.890185774,-1.7012112372,0.1624751934,0.1624751934,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Cu-O,5.0,ABC3_cP5_221_a_b_c:Ca-Cu-O +mp-1374622,Ca5Cu2(RhO6)2,-6.5084205152,-2.1124541812,0.0869921101,0.0869921101,GGA,P1,A5B2C12D2_aP21_1_5a_2a_12a_2a:Ca-Cu-O-Rh,21.0,A5B2C12D2_aP21_1_5a_2a_12a_2a:Ca-Cu-O-Rh +mp-1104542,Cu(RhO2)2,-6.5653141821,-1.0489460029,0.0234476857,0.0234476857,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Cu-O-Rh,14.0,AB4C2_tI28_141_a_h_d:Cu-O-Rh +mp-4409,Cu(RhO2)2,-6.5669940086,-1.0506258293,0.0217678593,0.0217678593,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cu-O-Rh,14.0,AB4C2_cF56_227_a_e_d:Cu-O-Rh +mp-754501,Ca(CuO)2,-5.696780578,-1.6773024495,0.0371943973,0.0371943973,GGA,I4_1/amd,AB2C2_tI20_141_a_d_e:Ca-Cu-O,10.0,AB2C2_tI20_141_a_d_e:Ca-Cu-O +mp-7466,CaCu2O3,-5.8979745217,-1.723961296,0.0313149356,0.0313149356,GGA,Pmmn,AB2C3_oP12_59_a_e_be:Ca-Cu-O,12.0,AB2C3_oP12_59_a_e_be:Ca-Cu-O +mp-14116,CuRhO2,-6.3010597525,-0.9618367619,0.0,-0.0326951206,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Rh,4.0,AB2C_hR12_166_a_c_b:Cu-O-Rh +mp-1093820,Ca2CuRh,-2.473500665,1.39517791,1.642297593,1.642297593,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cu-Rh,4.0,A2BC_oI8_71_e_a_b:Ca-Cu-Rh +mp-1183482,Ca2CuRh,-4.080058665,-0.21138009,0.035739593,0.035739593,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cu-Rh,4.0,A2BC_cF16_225_c_a_b:Ca-Cu-Rh +mp-772813,Ca2Cu2O5,-6.1755467736,-2.0707627007,0.0,-0.0051961708,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Ca-Cu-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_33_5a_5a_17a:Ca-Cu-O, expected Ca5Cu5O17 to be Ca2Cu2O5" +mp-1076548,Ca2Cu2O5,-6.0375641494,-1.9327800765,0.1379826242,0.1327864533,GGA,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Cu-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Cu-O +mp-1343555,Ca2Cu2O5,-6.0501393472,-1.9453552743,0.1254074264,0.1202112556,GGA,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Cu-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Cu-O, expected CaCuO6 to be Ca2Cu2O5" +mp-5869,Ca2CuO3,-6.3542907383,-2.5292119777,0.0017539078,0.0017539078,GGA,Immm,A2BC3_oI12_71_e_a_ce:Ca-Cu-O,6.0,A2BC3_oI12_71_e_a_ce:Ca-Cu-O +mp-546226,Ca2CuO3,-6.049378285,-2.2242995244,0.3066663611,0.3066663611,GGA,Immm,A2BC3_oI12_71_e_a_ce:Ca-Cu-O,6.0,A2BC3_oI12_71_e_a_ce:Ca-Cu-O +mp-765523,Ca7Cu17O24,-5.8172847373,-1.5996547035000002,0.0586603213,0.0586603213,GGA,Pmm2,A7B17C24_oP48_25_ae2f_cgh3i_bd2efgh3i:Ca-Cu-O,48.0,"Invalid WP multiplicities - A7B17C24_oP48_25_a2e3f_c2g2h9i_bd3e2f2g2h12i:Ca-Cu-O, expected Ca11Cu45O68 to be Ca7Cu17O24" +mp-558434,Ca3CuRhO6,-6.5915737532000005,-2.3042604398,0.028002622,0.028002622,GGA,C2/c,A3BC6D_mC44_15_ef_e_3f_c:Ca-Cu-O-Rh,22.0,"Invalid WP multiplicities - A3BC6D_mC44_15_2e3f_e_9f_c:Ca-Cu-O-Rh, expected Ca8CuRhO18 to be Ca3CuRhO6" +mp-1406521,CaCuO2,-6.017919,-2.0183730069,0.1247480517,0.1247480517,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Cu-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Cu-O, expected Ca2Cu3O7 to be CaCuO2" +mp-1045992,CaCuO2,-6.0229055231,-2.02335953,0.1197615285,0.1197615285,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Cu-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Cu-O, expected Ca2Cu3O7 to be CaCuO2" +mp-1046929,CaCuO2,-5.9952179875,-1.9956719944,0.1474490642,0.1474490642,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Cu-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Cu-O, expected Ca2Cu3O7 to be CaCuO2" +mp-554775,CaCuO2,-6.0729507144,-2.0734047212,0.0697163373,0.0697163373,GGA,P2_12_12,ABC2_oP16_18_c_c_2c:Ca-Cu-O,16.0,"Invalid WP multiplicities - ABC2_oP16_55_h_g_4g:Ca-Cu-O, expected CaCuO4 to be CaCuO2" +mp-1147779,CaCuO2,-6.0725452825,-2.0729992894,0.0701217692,0.0701217692,GGA,Cmmm,ABC2_oC16_65_f_ab_gj:Ca-Cu-O,8.0,"Invalid WP multiplicities - ABC2_oC16_65_f_ab_2gj:Ca-Cu-O, expected CaCuO3 to be CaCuO2" +mp-4826,CaCuO2,-6.127062855,-2.1275168619,0.0156041967,0.0156041967,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ca-Cu-O,4.0,ABC2_tP4_123_a_d_e:Ca-Cu-O +mp-1398042,Ca(CuO2)2,-5.8272940464000005,-1.5428986086,0.1680710614,0.0861246935,GGA,P2_1,AB2C4_mP14_4_a_2a_4a:Ca-Cu-O,14.0,"Invalid WP multiplicities - AB2C4_oP14_26_b_2a_6a:Ca-Cu-O, expected Ca(CuO3)2 to be Ca(CuO2)2" +mp-1325263,Ca(CuO2)2,-5.7398224546000005,-1.4554270168,0.2555426532,0.1735962853,GGA,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Cu-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Cu-O, expected Ca4Cu11O24 to be Ca(CuO2)2" +mp-1403402,Ca(CuO2)2,-5.7065233343,-1.4221278964,0.2888417736,0.2068954056,GGA,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Cu-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Cu-O, expected CaCu3O7 to be Ca(CuO2)2" +mp-1047649,Ca(CuO2)2,-5.97980663,-1.6954111921,0.0155584779,-0.0663878901,GGA,Pbcm,AB2C4_oP28_57_d_e_cde:Ca-Cu-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_57_d_e_3c3d5e:Ca-Cu-O, expected Ca(CuO8)2 to be Ca(CuO2)2" +mp-1041793,Ca(CuO2)2,-5.8163818271,-1.5319863893,0.1789832807,0.0970369128,GGA,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Cu-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Ca-Cu-O +mp-1378814,Ca(CuO2)2,-5.81613194,-1.5317365021,0.1792331679,0.0972867999,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Cu-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Cu-O +mp-1047358,Ca(CuO2)2,-5.8179472743,-1.5335518364,0.1774178336,0.0954714656,GGA,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Cu-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Cu-O +mp-1041593,Ca(CuO2)2,-5.6510854029,-1.366689965,0.344279705,0.2623333371,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Cu-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Cu-O, expected Ca(CuO5)2 to be Ca(CuO2)2" +mp-1047437,Ca(CuO2)2,-5.9953651079,-1.71096967,0.0,-0.0819463679,GGA,I4_1/a,AB2C4_tI28_88_a_d_f:Ca-Cu-O,14.0,AB2C4_tI28_88_a_d_f:Ca-Cu-O +mp-1047148,Ca(CuO2)2,-5.8966344486,-1.6122390107,0.0987306593,0.0167842913,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Cu-O,14.0,AB2C4_tI28_141_a_d_h:Ca-Cu-O +mp-1044933,Ca(CuO2)2,-5.757408984,-1.4730135462,0.2379561238,0.1560097559,GGA,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Cu-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b8d_2a2b2c16d:Ca-Cu-O, expected Ca2(CuO2)9 to be Ca(CuO2)2" +mp-1048893,Ca(CuO2)2,-5.7575070233000005,-1.4731115855,0.2378580845,0.1559117166,GGA,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Cu-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b7d_2a2b2c13d:Ca-Cu-O, expected Ca2Cu8O15 to be Ca(CuO2)2" +mp-1044717,Ca(CuO2)2,-5.7428652914,-1.4584698536,0.2524998164,0.1705534485,GGA,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Cu-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Cu-O +mp-1393403,Ca(CuO2)2,-5.7548871657,-1.4704917279,0.2404779421,0.1585315742,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Cu-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Cu-O +mp-1337089,Ca2CuRhO6,-6.379904525,-1.8644198682,0.1143331837,0.1143331837,GGA,C2,A2BC6D_mC40_5_abc_ab_6c_c:Ca-Cu-O-Rh,20.0,"Invalid WP multiplicities - A2BC6D_mC40_5_ab2c_ab_12c_c:Ca-Cu-O-Rh, expected Ca3CuRhO12 to be Ca2CuRhO6" +mp-1046807,Ca(Cu2O3)2,-5.6552529205,-1.2841112089,0.1477535227,0.1477535227,GGA,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Cu-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Ca-Cu-O, expected Ca(Cu2O)6 to be Ca(Cu2O3)2" +mp-760021,Ca19(Cu12O23)2,-6.0293114325,-1.9390301008,0.0514053345,0.0514053345,GGA,P1,A19B24C46_aP89_1_19a_24a_46a:Ca-Cu-O,89.0,A19B24C46_aP89_1_19a_24a_46a:Ca-Cu-O +mp-1147653,CaCu3O4,-5.82260066,-1.5613538181000002,0.0,-0.0232548956,GGA,Pm-3n,AB3C4_cP16_223_a_c_e:Ca-Cu-O,16.0,AB3C4_cP16_223_a_c_e:Ca-Cu-O +mp-1214451,Ca4(CuO2)5,-6.0801544295,-1.9756639041,0.0107048291,0.0107048291,GGA,Cmce,A4B5C10_oC76_64_2e_a2f_d2g:Ca-Cu-O,38.0,A4B5C10_oC76_64_2e_a2f_d2g:Ca-Cu-O +mp-721239,Li10Ge(PSe6)2,-4.1094491638,-1.0498571931,0.0,-0.0279309519,GGA,P1,AB10C2D12_aP50_1_2a_20a_4a_24a:Ge-Li-P-Se,50.0,AB10C2D12_aP50_1_2a_20a_4a_24a:Ge-Li-P-Se +mp-696127,Li10Ge(PSe6)2,-4.0981350138,-1.0385430431,0.01131415,-0.0166168019,GGA,P4_2mc,AB10C2D12_tP50_105_a_ab2f_bc_3d3e:Ge-Li-P-Se,50.0,AB10C2D12_tP50_105_a_ab2f_bc_3d3e:Ge-Li-P-Se +mp-1211446,Li7PSe6,-3.9952008864,-1.1558272122,0.0,-0.0057716524,GGA,Pna2_1,A7BC6_oP56_33_7a_a_6a:Li-P-Se,56.0,A7BC6_oP56_33_7a_a_6a:Li-P-Se +mp-674531,Li5GeP3,-3.9107449833,-0.5321283491000001,0.0100165872,0.0100165872,GGA,Cc,AB5C3_mC36_9_a_5a_3a:Ge-Li-P,18.0,"Invalid WP multiplicities - AB5C3_mC36_9_a_10a_6a:Ge-Li-P, expected Li10GeP6 to be Li5GeP3" +mp-1173014,Li5GeP3,-3.8943592344,-0.5157426002000001,0.0264023361,0.0264023361,GGA,C2/c,AB5C3_mC36_15_e_e2f_af:Ge-Li-P,18.0,"Invalid WP multiplicities - AB5C3_mC36_15_e_2e7f_2c2f:Ge-Li-P, expected Li16GeP6 to be Li5GeP3" +mp-1222505,Li8PSe6,-3.8998246167,-1.1224809963,0.0832122534,0.0832122534,GGA,I-4,A8BC6_tI30_82_2g_a_bcg:Li-P-Se,15.0,"Invalid WP multiplicities - A8BC6_tI30_82_4g_a_bcg:Li-P-Se, expected Li16PSe6 to be Li8PSe6" +mp-1044484,PrZn(AgO3)2,-5.504199532,-1.3656101681,0.1164190505,0.1164190505,GGA,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Ag-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_4a4b_a_a:Ag-O-Pr-Zn, expected PrZn(AgO6)2 to be PrZn(AgO3)2" +mp-1113935,Rb2TiHgF6,-5.250968216,-3.0880567828,0.0341767072,0.0341767072,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ti +mp-12245,Rb3TiF7,-5.620976195,-3.4193901035,0.0,-0.1750579877,GGA,P4/mbm,A7B3C_tP22_127_ahk_bg_c:F-Rb-Ti,22.0,A7B3C_tP22_127_ahk_bg_c:F-Rb-Ti +mp-1113820,Rb3TiF6,-5.494427551,-3.2638307471,0.0,-0.0116531405,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Ti,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Ti +mp-559588,CdSbS2Br,-3.80537816,-0.8298143473,0.0136395865,0.0136395865,GGA,C2/m,ABC2D_mC20_12_i_ac_2i_i:Br-Cd-S-Sb,10.0,"Invalid WP multiplicities - ABC2D_mC20_12_i_ad_3i_i:Br-Cd-S-Sb, expected CdSbS3Br to be CdSbS2Br" +mp-1103194,SbSBr,-4.0873444042,-0.8145179252,0.0020120617,-0.0320693742,GGA,Pna2_1,ABC_oP12_33_a_a_a:Br-S-Sb,12.0,ABC_oP12_62_c_c_c:Br-S-Sb +mp-22971,SbSBr,-4.0893564658,-0.8165299869,0.0,-0.0340814358,GGA,Pnma,ABC_oP12_62_c_c_c:Br-S-Sb,12.0,ABC_oP12_62_c_c_c:Br-S-Sb +mp-1227013,Cd2Sb6S11,-4.2837651368,-0.4879369529,0.1332174793,0.1332174793,GGA,Pm,A2B11C6_mP19_6_ab_5a6b_3a3b:Cd-S-Sb,19.0,A2B11C6_mP19_6_ab_5a6b_3a3b:Cd-S-Sb +mp-1180273,Na(SeO3)2,-5.4158545533,-1.1942456071,0.1175424436,0.1175424436,GGA,Pc,AB6C2_mP18_7_a_6a_2a:Na-O-Se,18.0,AB6C2_mP18_7_a_6a_2a:Na-O-Se +mp-1105804,Na(SeO3)2,-5.302158965,-1.0805500187,0.2312380319,0.2312380319,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Na-O-Se,18.0,AB6C2_mP18_14_a_3e_e:Na-O-Se +mp-685478,Na2PdO3,-5.1419678777,-1.3644681226,0.0,-0.1421915005,GGA,C2,A2B3C_mC192_5_3a3b13c_24c_8c:Na-O-Pd,96.0,"Invalid WP multiplicities - A2B3C_mC192_5_3a3b26c_46c_15c:Na-O-Pd, expected Na29Pd15O46 to be Na2PdO3" +mp-554443,Na6Se2O9,-5.2081274112,-1.7112348749,0.0074469446,0.0074469446,GGA,Pnma,A6B9C2_oP136_62_4c4d_10c4d_4c:Na-O-Se,136.0,"Invalid WP multiplicities - A6B9C2_oP136_62_15c25d_39c29d_15c:Na-O-Se, expected Na65Se15O97 to be Na6Se2O9" +mp-27562,Na2Pd3O4,-5.3650462656,-1.1459961698,0.0,-0.034504181,GGA,Immm,A2B4C3_oI18_71_f_m_ae:Na-O-Pd,9.0,A2B4C3_oI18_71_f_m_ae:Na-O-Pd +mp-559068,Na2Pd(SeO4)2,-5.5874141592,-1.4035476175,0.0,-0.0151351913,GGA,P-1,A2B8CD2_aP13_2_i_4i_a_i:Na-O-Pd-Se,13.0,"Invalid WP multiplicities - A2B8CD2_aP13_2_i_7i_a_i:Na-O-Pd-Se, expected Na2Pd(SeO7)2 to be Na2Pd(SeO4)2" +mp-29871,Na4SeO5,-5.0443120553,-1.6923664345,0.0,-0.0219728247,GGA,P-1,A4B5C_aP40_2_be7i_10i_2i:Na-O-Se,40.0,"Invalid WP multiplicities - A4B5C_aP40_2_be8i_11i_2i:Na-O-Se, expected Na9Se2O11 to be Na4SeO5" +mp-5141,Na2SeO4,-5.460234785,-1.7562752265,0.0,-0.1297617348,GGA,Fddd,A2B4C_oF56_70_e_h_a:Na-O-Se,14.0,A2B4C_oF56_70_e_h_a:Na-O-Se +mp-1204479,Na(SeO3)4,-5.356317245,-0.9641739662,0.1515255911,0.1515255911,GGA,Pc,AB12C4_mP34_7_a_12a_4a:Na-O-Se,34.0,AB12C4_mP34_7_a_12a_4a:Na-O-Se +mp-976968,NaPdO3,-5.041261758,-0.7727671106,0.2644262422,0.2644262422,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Pd,5.0,AB3C_cP5_221_a_c_b:Na-O-Pd +mp-1106081,Na2SeO5,-4.6818138125,-0.8225131099,0.7142277133,0.7142277133,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-Se,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-Se +mp-734025,Na2SeO5,-4.7025244112,-0.8432237086000001,0.6935171145,0.6935171145,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-Se,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-Se +mp-545482,PdSeO3,-5.736829246,-1.0336573617,0.0,-0.012962961,GGA,P2_1/m,A3BC_mP10_11_ef_a_e:O-Pd-Se,10.0,"Invalid WP multiplicities - A3BC_mP10_11_2e3f_a_e:O-Pd-Se, expected PdSeO8 to be PdSeO3" +mp-546684,PdSeO3,-5.727142663,-1.0239707787,0.009686583,-0.003276378,GGA,C2/m,A3BC_mC20_12_ij_e_i:O-Pd-Se,10.0,"Invalid WP multiplicities - A3BC_mC20_12_2i3j_e_i:O-Pd-Se, expected PdSeO8 to be PdSeO3" +mp-561490,PdSeO4,-5.6775488783,-0.9337908562,0.0078924942,0.0078924942,GGA,C2/c,A4BC_mC24_15_2f_c_e:O-Pd-Se,12.0,"Invalid WP multiplicities - A4BC_mC24_15_5f_a_e:O-Pd-Se, expected PdSeO10 to be PdSeO4" +mp-2356866,PdSeO4,-5.6854201042,-0.9416620821,2.12683e-05,2.12683e-05,GGA,C2/c,A4BC_mC24_15_2f_c_e:O-Pd-Se,12.0,"Invalid WP multiplicities - A4BC_mC24_15_5f_a_e:O-Pd-Se, expected PdSeO10 to be PdSeO4" +mp-1190423,Na2Se2O7,-5.5195526741,-1.4955804449,0.0,-0.0524598454,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Na-O-Se,22.0,A2B7C2_aP22_2_2i_7i_2i:Na-O-Se +mp-5416,Na2SeO3,-5.2990805137,-1.8022424807,0.0,-0.1130957781,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Na-O-Se,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_4e_3e_e:Na-O-Se, expected Na4SeO3 to be Na2SeO3" +mp-1180248,Na2PdO6,-4.8272684311,-0.660039024,0.2496063911,0.2496063911,GGA,C2/m,A2B6C_mC18_12_g_ij_a:Na-O-Pd,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_g_2i2j_a:Na-O-Pd, expected Na2PdO12 to be Na2PdO6" +mp-1180246,Na2PdO6,-4.6387652833,-0.4715358762,0.4381095389,0.4381095389,GGA,P-31m,A2B6C_hP9_162_c_k_a:Na-O-Pd,9.0,A2B6C_hP9_162_c_k_a:Na-O-Pd +mp-728664,NaSeO3,-5.4334981198,-1.5017975388,0.0740926507,0.0740926507,GGA,C2/c,AB3C_mC80_15_2f_6f_2f:Na-O-Se,40.0,AB3C_mC80_15_2f_6f_2f:Na-O-Se +mp-1197679,NaSeO3,-5.3135566525,-1.3818560715,0.194034118,0.194034118,GGA,C2/c,AB3C_mC80_15_2f_6f_2f:Na-O-Se,40.0,AB3C_mC80_15_2f_6f_2f:Na-O-Se +mp-4649,PdSe2O5,-5.6913959031,-1.0782523629,0.0009054019,0.0009054019,GGA,C2/c,A5BC2_mC32_15_e2f_a_f:O-Pd-Se,16.0,A5BC2_mC32_15_e2f_c_f:O-Pd-Se +mp-13285,NaPd3O4,-5.6604847306,-1.0793690346,0.0,-0.0736543937,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Na-O-Pd,16.0,AB4C3_cP16_223_a_e_c:Na-O-Pd +mp-1210902,Na2SeO2,-3.9962780855,-0.7894101881000001,0.8962332035,0.8962332035,GGA,Fddd,A2B2C_oF80_70_h_h_c:Na-O-Se,20.0,A2B2C_oF80_70_h_h_c:Na-O-Se +mp-1078751,Na2PdSe2,-3.959897342,-0.9965462716,0.0,-0.0406780255,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Na-Pd-Se,10.0,A2BC2_oC20_36_2a_a_2a:Na-Pd-Se +mp-1211530,Na2SeO9,-4.862816771,-0.6410533989,0.3834404832,0.3834404832,GGA,P4_122,A2B9C_tP48_91_ab_c4d_a:Na-O-Se,48.0,A2B9C_tP48_91_ab_c4d_a:Na-O-Se +mp-1204514,Na2SeO9,-4.7560984904,-0.5343351183,0.4901587639,0.4901587639,GGA,P4_322,A2B9C_tP48_95_ab_c4d_a:Na-O-Se,48.0,A2B9C_tP48_95_ab_c4d_a:Na-O-Se +mp-755378,NaPdO2,-5.2781959225,-1.179249791,0.0711786964,0.0711786964,GGA,C2/m,AB2C_mC8_12_a_i_d:Na-O-Pd,4.0,AB2C_mC8_12_a_i_d:Na-O-Pd +mp-675645,Tb2PbS4,-6.0772260543,-1.8590576632,0.0621739904,0.0621739904,GGA,I-42d,AB4C2_tI28_122_a_e_d:Pb-S-Tb,14.0,AB4C2_tI28_122_a_e_d:Pb-S-Tb +mp-1209172,Tb2Sn3(PbS4)3,-5.2429672505,-1.1393278816,0.0095444371,0.0095444371,GGA,Pmc2_1,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Tb,40.0,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Tb +mp-555069,Tb2SnS5,-5.9782844644,-1.7332152907,0.0180116784,0.0180116784,GGA,Pbam,A5BC2_oP16_55_agh_c_h:S-Sn-Tb,16.0,"Invalid WP multiplicities - A5BC2_oP16_55_2a2g4h_c_h:S-Sn-Tb, expected Tb2SnS14 to be Tb2SnS5" +mp-8714,Rb2MnS2,-5.077707624,-1.1985109898,0.0,-0.1302577763,GGA,Ibam,AB2C2_oI20_72_a_j_j:Mn-Rb-S,10.0,AB2C2_oI20_72_a_j_j:Mn-Rb-S +mp-1105776,Rb2Mn3S4,-6.1167012683,-1.0063775474,0.016040155,0.016040155,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Mn-Rb-S,18.0,A3B2C4_oI36_72_af_j_k:Mn-Rb-S +mp-987178,RbMnAs,-5.1763290817,-0.2424398251,0.0395996794,0.0395996794,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Mn-Rb,6.0,ABC_tP6_129_c_a_c:As-Mn-Rb +mp-20242,RbMnAs,-5.1364510717,-0.2025618151,0.0794776894,0.0794776894,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Mn-Rb,6.0,ABC_tP6_129_c_a_c:As-Mn-Rb +mp-1219636,Rb4Mn(AsS4)2,-4.6755835603,-0.9759844052,0.0,-0.0644285661,GGA,P-1,A2BC4D8_aP30_2_2i_i_4i_8i:As-Mn-Rb-S,30.0,A2BC4D8_aP30_2_2i_i_4i_8i:As-Mn-Rb-S +mp-1199449,Mn9(PbO5)4,-7.7610197212,-1.8142772929,0.0039268559,0.0039268559,GGA+U,Pnma,A9B20C4_oP132_62_a2c3d_4c8d_2cd:Mn-O-Pb,132.0,A9B20C4_oP132_62_a2c3d_4c8d_2cd:Mn-O-Pb +mp-863405,Mn8PbO16,-8.0982700152,-1.8520384637,0.0,-0.008524761,GGA+U,P1,A8B16C_aP25_1_8a_16a_a:Mn-O-Pb,25.0,A8B16C_aP25_1_8a_16a_a:Mn-O-Pb +mp-21823,Mn(PbO2)2,-6.848959703,-1.6526648063,0.0006779517,0.0006779517,GGA+U,P-42_1c,AB4C2_tP56_114_e_4e_2e:Mn-O-Pb,56.0,AB4C2_tP56_114_e_4e_2e:Mn-O-Pb +mp-1106337,MnPbO3,-7.1819377,-1.6389920008,0.0769999479,0.0769999479,GGA+U,P2/c,AB3C_mP20_13_2e_3g_g:Mn-O-Pb,20.0,AB3C_mP20_13_2e_3g_g:Mn-O-Pb +mp-1188613,MnPbO3,-7.19879951,-1.6558538108,0.0601381379,0.0601381379,GGA+U,P2/c,AB3C_mP20_13_2e_2f2g_g:Mn-O-Pb,20.0,AB3C_mP20_13_2e_2f2g_g:Mn-O-Pb +mp-510672,MnPbO3,-7.1870312013,-1.6440855022,0.0719064466,0.0719064466,GGA+U,C2/c,AB3C_mC60_15_af_e4f_ef:Mn-O-Pb,30.0,AB3C_mC60_15_cf_e4f_ef:Mn-O-Pb +mp-37214,MnPbO3,-7.145062928,-1.6021172288,0.1138747199,0.1138747199,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Pb,5.0,AB3C_cP5_221_b_c_a:Mn-O-Pb +mp-1197400,Mn7(PbO5)3,-7.8144884029,-1.835593246,0.0,-0.0001622255,GGA+U,Cmc2_1,A7B15C3_oC200_36_2a6b_4a13b_2a2b:Mn-O-Pb,100.0,A7B15C3_oC200_36_2a6b_4a13b_2a2b:Mn-O-Pb +mp-704327,Mn7(PbO5)3,-7.8043723433,-1.8254771864,0.0101160596,0.0099538341,GGA+U,Pnma,A7B15C3_oP200_62_ab2c5d_4c13d_2c2d:Mn-O-Pb,200.0,A7B15C3_oP200_62_ab2c5d_4c13d_2c2d:Mn-O-Pb +mp-649813,Mn7(PbO5)3,-7.8029200486,-1.8240248917,0.0115683543,0.0114061288,GGA+U,Cmcm,A7B15C3_oC200_63_abde2h_2f3g5h_2c2g:Mn-O-Pb,100.0,"Invalid WP multiplicities - A7B15C3_oC200_63_2ab4d4e13h_7f11g35h_4c6g:Mn-O-Pb, expected Mn71(PbO11)16 to be Mn7(PbO5)3" +mp-583252,Mn7(PbO5)3,-7.8089425246,-1.8300473677,0.0055458783,0.0053836528,GGA+U,P6_3/mcm,A7B15C3_hP100_193_bfhi_j2kl_2g:Mn-O-Pb,100.0,"Invalid WP multiplicities - A7B15C3_hP100_193_b5f5h9i_10j22k17l_6g:Mn-O-Pb, expected Mn5PbO22 to be Mn7(PbO5)3" +mp-1272979,Mn7PbO12,-8.2627254333,-1.9023745008,0.0376878966,0.0376878966,GGA+U,C2/m,A7B12C_mC40_12_abcef_2i2j_d:Mn-O-Pb,40.0,"Invalid WP multiplicities - A7B12C_mC40_12_2acde2f_2i2j_b:Mn-O-Pb, expected Mn10PbO12 to be Mn7PbO12" +mp-1273133,Mn7PbO12,-8.253464749799999,-1.8931138173,0.0469485801,0.0469485801,GGA+U,P2/c,A7B12C_mP40_13_abcde2f_6g_e:Mn-O-Pb,40.0,"Invalid WP multiplicities - A7B12C_mP40_13_2ab2cd2e4f_17g_e:Mn-O-Pb, expected Mn12PbO34 to be Mn7PbO12" +mp-1105390,Mn7PbO12,-8.2741736755,-1.913822743,0.0262396543,0.0262396543,GGA+U,R-3,A7B12C_hR60_148_ade_2f_b:Mn-O-Pb,20.0,A7B12C_hR60_148_ade_2f_b:Mn-O-Pb +mp-1105431,Mn7PbO12,-8.2749644065,-1.914613474,0.0254489233,0.0254489233,GGA+U,Im-3,A7B12C_cI40_204_bc_g_a:Mn-O-Pb,20.0,A7B12C_cI40_204_bc_g_a:Mn-O-Pb +mp-757454,Mn6PbO12,-8.0680409005,-1.855145987,0.0,-0.0002858156,GGA+U,C2/m,A6B12C_mC76_12_2i2j_4i4j_g:Mn-O-Pb,38.0,"Invalid WP multiplicities - A6B12C_mC76_12_4i6j_8i11j_g:Mn-O-Pb, expected Mn16PbO30 to be Mn6PbO12" +mp-1204982,Mn2Pb2O5,-7.3189558522,-1.7097593766,0.0627146917,0.0627146917,GGA+U,Pnma,A2B5C2_oP36_62_2c_5c_2c:Mn-O-Pb,36.0,A2B5C2_oP36_62_2c_5c_2c:Mn-O-Pb +mp-678801,Pr7Mn8O24,-8.5844685285,-2.8028533569,0.0308330708,0.0308330708,GGA+U,Cm,A8B24C7_mC78_8_4b_4a10b_3a2b:Mn-O-Pr,39.0,"Invalid WP multiplicities - A8B24C7_mC78_8_8b_4a17b_3a4b:Mn-O-Pr, expected Pr11Mn16O38 to be Pr7Mn8O24" +mp-1188985,PrMn7O12,-8.649839943,-2.2360760763,0.0248515152,0.0248515152,GGA+U,C2/m,A7B12C_mC40_12_abcef_2i2j_d:Mn-O-Pr,20.0,A7B12C_mC40_12_abcef_2i2j_d:Mn-O-Pr +mp-1205396,PrMn7O12,-8.6497378415,-2.2359739748,0.0249536167,0.0249536167,GGA+U,R-3,A7B12C_hR60_148_ade_2f_b:Mn-O-Pr,20.0,A7B12C_hR60_148_ade_2f_b:Mn-O-Pr +mp-19354,PrMn7O12,-8.649797456,-2.2360335893,0.0248940022,0.0248940022,GGA+U,Im-3,A7B12C_cI40_204_bc_g_a:Mn-O-Pr,20.0,"Invalid WP multiplicities - A7B12C_cI40_204_2b2c_g_a:Mn-O-Pr, expected PrMn14O12 to be PrMn7O12" +mp-22802,PrMn2O5,-8.5781952209,-2.598397734,0.0,-0.078835625,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Pr,32.0,A2B5C_oP32_55_eg_fghi_h:Mn-O-Pr +mp-1186471,PrPbO3,-6.65096289,-1.9842390982,0.5854630621,0.5854630621,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Pr,5.0,A3BC_cP5_221_c_a_b:O-Pb-Pr +mp-1366800,PrMn2O6,-7.9643080033,-2.0993003804,0.2103864943,0.2103864943,GGA+U,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Mn-O-Pr,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_4a4b_a:Mn-O-Pr, expected PrMn2O12 to be PrMn2O6" +mp-1220019,Pr3Mn4PbO12,-8.3346512225,-2.6314667206,0.0285098823,0.0285098823,GGA+U,Pm,A4B12CD3_mP20_6_2c_2a2b4c_a_a2b:Mn-O-Pb-Pr,20.0,"Invalid WP multiplicities - A4B12CD3_mP20_6_4c_2a2b8c_a_a2b:Mn-O-Pb-Pr, expected Pr3Mn8PbO20 to be Pr3Mn4PbO12" +mp-530875,Pr12Mn11O36,-8.6247320362,-2.9258535467,0.0131711686,0.0131711686,GGA+U,P2_1/c,A11B36C12_mP118_14_abc4e_18e_6e:Mn-O-Pr,118.0,"Invalid WP multiplicities - A11B36C12_mP118_14_2a2b2c12e_71e_24e:Mn-O-Pr, expected Pr24Mn15O71 to be Pr12Mn11O36" +mp-22564,PrMnO3,-8.703889929,-2.9472924928,0.0,-0.0431282791,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Pr +mp-1190563,Cu6Hg3(SbS3)4,-4.1193626516,-0.4529752725,0.0,-0.0026962875,GGA,R3,A6B3C12D4_hR75_146_2b_b_4b_ab:Cu-Hg-S-Sb,25.0,A6B3C12D4_hR75_146_2b_b_4b_ab:Cu-Hg-S-Sb +mp-647164,Cu12Sb4S13,-4.5671107393,-0.4470992473,0.0,-0.0165920017,GGA,I-43m,A12B13C4_cI58_217_de_ag_c:Cu-S-Sb,29.0,"Invalid WP multiplicities - A12B13C4_cI58_217_2d2e_ag_c:Cu-S-Sb, expected Cu24Sb4S13 to be Cu12Sb4S13" +mp-4468,CuSbS2,-4.6195228938,-0.4942459828,0.0,-0.0136320331,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cu-S-Sb,16.0,AB2C_oP16_62_c_2c_c:Cu-S-Sb +mp-686109,Cu23(Sb4S13)2,-4.5561819519,-0.435805463,0.0162934214,0.0162934214,GGA,P1,A23B26C8_aP171_1_69a_78a_24a:Cu-S-Sb,171.0,A23B26C8_aP171_1_69a_78a_24a:Cu-S-Sb +mp-676076,Cu11Sb4S13,-4.5109465325,-0.3901920111,0.0670850689,0.0670850689,GGA,Cm,A11B13C4_mC56_8_3a4b_3a5b_2ab:Cu-S-Sb,28.0,"Invalid WP multiplicities - A11B13C4_mC56_8_3a5b_3a5b_2a2b:Cu-S-Sb, expected Cu13Sb6S13 to be Cu11Sb4S13" +mp-542596,Hg(SbS2)4,-4.3618789288,-0.5225493704,0.0,-0.035706188,GGA,C2/c,AB8C4_mC104_15_ae_8f_4f:Hg-S-Sb,52.0,AB8C4_mC104_15_ae_8f_4f:Hg-S-Sb +mp-554272,Cu3SbS3,-4.5211982291,-0.4017738219,0.0270161842,0.0270161842,GGA,P2_1/c,A3B3C_mP56_14_6e_6e_2e:Cu-S-Sb,56.0,"Invalid WP multiplicities - A3B3C_mP56_14_23e_20e_7e:Cu-S-Sb, expected Cu23Sb7S20 to be Cu3SbS3" +mp-17691,Cu3SbS3,-4.5277145814,-0.4082901742,0.0204998319,0.0204998319,GGA,P2_12_12_1,A3B3C_oP28_19_3a_3a_a:Cu-S-Sb,28.0,A3B3C_oP28_19_3a_3a_a:Cu-S-Sb +mp-647606,Cu3SbS3,-4.5067067493,-0.3872823421,0.0415076641,0.0415076641,GGA,I-43m,A3B3C_cI56_217_de_g_c:Cu-S-Sb,28.0,"Invalid WP multiplicities - A3B3C_cI56_217_3d4e_g_c:Cu-S-Sb, expected Cu21(SbS3)2 to be Cu3SbS3" +mp-22171,Cu3SbS4,-4.5879510131,-0.4663984234,0.0093037006,0.0033431121,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Cu-S-Sb,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_2a2b_2ab_a:Cu-S-Sb, expected Cu6SbS4 to be Cu3SbS4" +mp-5702,Cu3SbS4,-4.5972547137,-0.4757021241,0.0,-0.0059605885,GGA,I-42m,A3B4C_tI16_121_ad_i_b:Cu-S-Sb,8.0,A3B4C_tI16_121_ad_i_b:Cu-S-Sb +mp-649627,Cu3SbS4,-4.1141361962,0.0074163934,0.4831185175,0.477157929,GGA,Fm-3m,A3B4C_cF64_225_d_f_c:Cu-S-Sb,16.0,A3B4C_cF64_225_d_f_c:Cu-S-Sb +mp-1226169,Cu10Hg2Sb4S13,-4.2756423617,-0.4173913045,0.0195530349,0.0195530349,GGA,I-42m,A10B2C13D4_tI58_121_dfg_e_aij_i:Cu-Hg-S-Sb,29.0,"Invalid WP multiplicities - A10B2C13D4_tI58_121_2df2g_e_a4i4j_i:Cu-Hg-S-Sb, expected Cu16Hg2Sb4S49 to be Cu10Hg2Sb4S13" +mp-1103284,Rb8BiO3,-2.9677163933,-0.7573140730000001,0.217004117,0.217004117,GGA,Pm-3m,AB3C8_cP12_221_a_c_g:Bi-O-Rb,12.0,AB3C8_cP12_221_a_c_g:Bi-O-Rb +mp-29521,RbBiO2,-5.3856381825,-1.7070380262,0.0,-0.0262831547,GGA,C2/c,AB2C_mC16_15_e_f_e:Bi-O-Rb,8.0,AB2C_mC16_15_e_f_e:Bi-O-Rb +mp-1192950,Rb2SnO12,-4.903637151,-0.5482435153,0.2626659215,0.2626659215,GGA,P-3c1,A12B2C_hP30_165_2g_d_b:O-Rb-Sn,30.0,A12B2C_hP30_165_2g_d_b:O-Rb-Sn +mp-1198288,Sn2Bi2O7,-6.5214992592000005,-1.9463226275,0.0,-0.0407294892,GGA,P3_1,A2B7C2_hP132_144_8a_28a_8a:Bi-O-Sn,132.0,A2B7C2_hP132_144_8a_28a_8a:Bi-O-Sn +mp-23372,Sn2Bi2O7,-6.5099011409,-1.9347245092,0.0115981183,-0.0291313709,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Bi-O-Sn +mp-29525,Rb3BiO3,-4.7176986532,-1.6288190130000002,0.0,-0.1675433675,GGA,P2_13,AB3C3_cP28_198_a_b_3a:Bi-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_b_4a:Bi-O-Rb, expected Rb4BiO3 to be Rb3BiO3" +mp-975106,Rb2Bi2O5,-5.3850267156000005,-1.565527831,0.0033229467,0.0033229467,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Bi-O-Rb,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Bi-O-Rb, expected Rb2Bi2O9 to be Rb2Bi2O5" +mp-769294,Rb8SnO6,-4.2706218563,-1.5016900762,0.0145447917,0.0145447917,GGA,P6_3cm,A6B8C_hP30_185_abc_b2c_a:O-Rb-Sn,30.0,"Invalid WP multiplicities - A6B8C_hP30_185_a3b3c_2b9c_a:O-Rb-Sn, expected Rb31SnO16 to be Rb8SnO6" +mp-556735,Rb2Bi4O7,-5.7048623064,-1.7087203338,0.0,-0.0188859087,GGA,C2/c,A4B7C2_mC208_15_8f_2e13f_4f:Bi-O-Rb,104.0,"Invalid WP multiplicities - A4B7C2_mC208_15_29f_4e48f_15f:Bi-O-Rb, expected Rb15Bi29O50 to be Rb2Bi4O7" +mp-1219844,Rb12Sn2Bi6O,-2.7378085014,-0.4628001171,0.031539979,0.031539979,GGA,P-3m1,A6BC12D2_hP21_164_i_a_2i_d:Bi-O-Rb-Sn,21.0,A6BC12D2_hP21_164_i_a_2i_d:Bi-O-Rb-Sn +mp-754839,SnBiO4,-6.3097767017,-1.70364073,0.0890880617,0.0890880617,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Bi-O-Sn,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_e2f_c:Bi-O-Sn, expected SnBiO6 to be SnBiO4" +mp-753798,Rb2SnO3,-5.3922997242,-1.9238487019,0.0,-0.0401488784,GGA,Cmc2_1,A3B2C_oC24_36_ab_b_a:O-Rb-Sn,12.0,"Invalid WP multiplicities - A3B2C_oC24_36_a2b_b_a:O-Rb-Sn, expected Rb2SnO5 to be Rb2SnO3" +mp-755448,Rb2SnO3,-5.3463102392,-1.8778592169,0.045989485,0.0058406066,GGA,Cmce,A3B2C_oC48_64_e2f_2f_f:O-Rb-Sn,24.0,"Invalid WP multiplicities - A3B2C_oC48_64_2e3f_6f_f:O-Rb-Sn, expected Rb6SnO5 to be Rb2SnO3" +mp-2646944,Rb2Sn3O7,-6.1036385844,-2.0522548603,0.0,-0.036165409,GGA,Pnma,A7B2C3_oP48_62_7c_2c_3c:O-Rb-Sn,48.0,A7B2C3_oP48_62_7c_2c_3c:O-Rb-Sn +mp-7118,Rb4SnO4,-4.85115902,-1.7713297989,0.0,-0.0820136669,GGA,P-1,A4B4C_aP18_2_4i_4i_i:O-Rb-Sn,18.0,A4B4C_aP18_2_4i_4i_i:O-Rb-Sn +mp-27931,Rb2SnO2,-4.8174670495,-1.644663565,0.0,-0.0216806461,GGA,P2_12_12_1,A2B2C_oP20_19_2a_2a_a:O-Rb-Sn,20.0,"Invalid WP multiplicities - A2B2C_oP20_19_6a_3a_a:O-Rb-Sn, expected Rb3SnO6 to be Rb2SnO2" +mp-7863,Rb2Sn2O3,-5.2667345214,-1.7209805230000002,0.0,-0.07196735,GGA,R-3m,A3B2C2_hR21_166_d_ab_c:O-Rb-Sn,7.0,A3B2C2_hR21_166_d_ab_c:O-Rb-Sn +mp-1186893,RbSnO3,-5.616609184,-1.6505747718,0.1858508148,0.1858508148,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Sn,5.0,A3BC_cP5_221_c_a_b:O-Rb-Sn +mp-975384,RbBiO3,-5.390518846,-1.4583009787,0.0,-0.0289371053,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-O-Rb,5.0,AB3C_cP5_221_b_c_a:Bi-O-Rb +mp-769368,Rb4SnO3,-4.367372925,-1.5209011402,0.0,-0.0089260058,GGA,Pbca,A3B4C_oP64_61_3c_4c_c:O-Rb-Sn,64.0,"Invalid WP multiplicities - A3B4C_oP64_61_9c_13c_c:O-Rb-Sn, expected Rb13SnO9 to be Rb4SnO3" +mp-1228935,AlIn(AgS2)2,-4.429863365,-0.8413419857000001,0.0019914012,0.0019914012,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Ag-Al-In-S,8.0,A2BCD4_tI16_82_ac_b_d_g:Ag-Al-In-S +mp-1228698,Al4InAgS8,-4.949437905,-1.1167134773,0.056090454,0.056090454,GGA,R3m,AB4CD8_hR42_160_a_ab_a_2a2b:Ag-Al-In-S,14.0,AB4CD8_hR42_160_a_ab_a_2a2b:Ag-Al-In-S +mp-504482,AlInS3,-4.899702003,-1.1183801709,0.0,-0.0218025215,GGA,P6_1,ABC3_hP30_169_a_a_3a:Al-In-S,30.0,"Invalid WP multiplicities - ABC3_hP30_169_a_a_17a:Al-In-S, expected AlInS17 to be AlInS3" +mp-1224709,K(Nb2Cl5)4,-5.8394645805,-1.739755185,0.0,-0.0084501805,GGA,Pm,A20BC8_mP87_6_4a4b26c_2ab_2a2b10c:Cl-K-Nb,87.0,"Invalid WP multiplicities - A20BC8_mP87_6_4a4b50c_2ab_2a2b20c:Cl-K-Nb, expected K3(Nb11Cl27)4 to be K(Nb2Cl5)4" +mp-1184897,K3Nb,-2.21921516,1.1389103102,1.1389103102,1.1389103102,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Nb,4.0,A3B_tI8_139_ad_b:K-Nb +mp-976409,K3Nb,-2.2169693575,1.1411561128,1.1411561128,1.1411561128,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Nb,8.0,A3B_hP8_194_h_c:K-Nb +mp-1223523,KLu(NbCl3)6,-5.7304197554,-1.9030028482,0.0,-0.0107430471,GGA,R3,A18BCD6_hR78_146_6b_a_a_2b:Cl-K-Lu-Nb,26.0,A18BCD6_hR78_146_6b_a_a_2b:Cl-K-Lu-Nb +mp-675801,KNbCl6,-4.6829819475,-1.8951164541,0.0,-0.0104833525,GGA,P2_1,A6BC_mP16_4_6a_a_a:Cl-K-Nb,16.0,"Invalid WP multiplicities - A6BC_oP16_31_4a4b_a_a:Cl-K-Nb, expected KNbCl12 to be KNbCl6" +mp-1101628,KNbCl6,-4.6815729419,-1.8937074485,0.0014090056,-0.0090743469,GGA,Pmn2_1,A6BC_oP16_31_2a2b_a_a:Cl-K-Nb,16.0,"Invalid WP multiplicities - A6BC_oP16_31_4a4b_a_a:Cl-K-Nb, expected KNbCl12 to be KNbCl6" +mp-1223400,KNbCl6,-4.68158376,-1.8937182666,0.0013981875,-0.009085165,GGA,R3m,A6BC_hR24_160_2b_a_a:Cl-K-Nb,8.0,A6BC_hR24_160_2b_a_a:Cl-K-Nb +mp-28501,K2(NbCl3)3,-5.3914376739,-1.8798988915,0.0,-0.0258356376,GGA,C2/m,A9B2C3_mC56_12_g2i3j_j_ij:Cl-K-Nb,28.0,"Invalid WP multiplicities - A9B2C3_mC56_12_g2i7j_j_ij:Cl-K-Nb, expected K2Nb3Cl17 to be K2(NbCl3)3" +mp-1192824,KNb2Cl11,-4.8060409593,-1.8312615102,0.0,-0.0013732477,GGA,P-1,A11BC2_aP28_2_11i_i_2i:Cl-K-Nb,28.0,A11BC2_aP28_2_11i_i_2i:Cl-K-Nb +mp-568405,K2NbCl6,-4.5970613267,-1.9955810051,0.0,-0.0126440747,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Cl-K-Nb,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_3e2h_d_a:Cl-K-Nb, expected K2NbCl14 to be K2NbCl6" +mp-674326,K2NbCl3,-4.2255295327,-1.2475773803,0.6694751501,0.6694751501,GGA,P1,A3B2C_aP60_1_30a_20a_10a:Cl-K-Nb,60.0,A3B2C_aP60_1_30a_20a_10a:Cl-K-Nb +mp-1209211,RbDyBeF6,-6.20760798,-3.8969849153,0.0,-0.03172048,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-Rb,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-Rb +mp-1206148,Rb3DyF6,-5.402374016,-3.5006477297,0.036830691,0.0112680858,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Dy-F-Rb,10.0,AB6C3_tI20_139_a_ei_bd:Dy-F-Rb +mp-1206146,Rb3DyF6,-5.439204707,-3.5374784207000003,0.0,-0.0255626052,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Dy-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Dy-F-Rb +mp-1111093,Na2AgAsF6,-4.398405156,-2.237845276,0.2183882845,0.2183882845,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Na +mp-4807,AgAsF7,-4.4300509519,-2.1109368207,0.0,-0.0336308667,GGA,Pnma,ABC7_oP36_62_c_c_3c2d:Ag-As-F,36.0,ABC7_oP36_62_c_c_3c2d:Ag-As-F +mp-37153,AgAsF6,-4.5762138375,-2.2061453108,0.0,-0.1043649319,GGA,Fm-3m,ABC6_cF32_225_a_b_e:Ag-As-F,8.0,ABC6_cF32_225_a_b_e:Ag-As-F +mp-1193401,U6Al8Fe5Si9,-7.1149004486,-0.368792055,0.0,-0.0056167823,GGA,Immm,A8B5C9D6_oI56_71_efgh_an_b2n_fn:Al-Fe-Si-U,28.0,A8B5C9D6_oI56_71_efgh_an_b2n_fn:Al-Fe-Si-U +mp-580439,UFe5Si3,-8.1842423711,-0.4156345767,0.0,-0.0059833022,GGA,P4/mmm,A5B3C_tP9_123_ci_ah_b:Fe-Si-U,9.0,"Invalid WP multiplicities - A5B3C_tP9_123_c2i_ah_b:Fe-Si-U, expected U(Fe3Si)3 to be UFe5Si3" +mp-1216582,U2Al3Si,-6.7318790917,-0.1910681683,0.0349251371,0.0349251371,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Si-U,6.0,A3BC2_hR18_166_d_a_c:Al-Si-U +mp-20924,U(FeSi)2,-8.310535056,-0.494117358,0.0,-0.043441095,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-U,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-U +mp-1216849,U(Fe5Si)2,-8.3614405431,-0.1428052992,0.0830798358,0.0830798358,GGA,Fmmm,A10B2C_oF52_69_c2n_e_a:Fe-Si-U,13.0,A10B2C_oF52_69_c2n_e_a:Fe-Si-U +mp-1217053,U(Fe5Si)2,-8.4327307169,-0.2140954731,0.0117896619,0.0117896619,GGA,Immm,A10B2C_oI26_71_efgk_h_a:Fe-Si-U,13.0,A10B2C_oI26_71_efgk_h_a:Fe-Si-U +mp-20548,U(Al5Fe)2,-5.3169676604,-0.2641052965,0.0,-0.004527276,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-U,26.0,"Invalid WP multiplicities - A10B2C_oC52_63_2e8f7g_d_c:Al-Fe-U, expected U(Al17Fe)2 to be U(Al5Fe)2" +mp-1192473,U6Al8(FeSi)5,-7.0354887096,-0.0692485887,0.2842007114,0.2842007114,GGA,Immm,A8B5C5D6_oI48_71_efgh_an_bn_fn:Al-Fe-Si-U,24.0,A8B5C5D6_oI48_71_efgh_an_bn_fn:Al-Fe-Si-U +mp-1103635,U(AlFe2)4,-7.4133755762,-0.17999996,0.0555551912,0.0555551912,GGA,I4/mmm,A4B8C_tI26_139_i_fj_a:Al-Fe-U,13.0,A4B8C_tI26_139_i_fj_a:Al-Fe-U +mp-4606,U(Al2Fe)4,-6.0963960138,-0.3166958992,0.0,-0.0112721629,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-U,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-U +mp-1216783,U2Fe3Si,-9.2737318583,-0.370698245,0.0,-0.0907310398,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Si-U,12.0,A3BC2_hP12_194_h_a_f:Fe-Si-U +mp-27609,U3Fe2Si7,-7.804405505,-0.40511395,0.0,-0.0045639522,GGA,Cmmm,A2B7C3_oC24_65_g_c2gh_ah:Fe-Si-U,12.0,"Invalid WP multiplicities - A2B7C3_oC24_65_g_c3gh_ah:Fe-Si-U, expected U3Fe2Si9 to be U3Fe2Si7" +mp-1216846,U2FeSi3,-8.2172762467,-0.3291436933,0.0578591538,0.0578591538,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Fe-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Fe-Si-U +mp-1216326,UAlFe,-7.9673030633,-0.1316340467,0.08629063,0.08629063,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-U,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-U, expected U3(AlFe)2 to be UAlFe" +mp-1216442,UAlFe,-7.9884728583,-0.1528038417,0.065120835,0.065120835,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-U,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-U, expected U3(AlFe)2 to be UAlFe" +mp-1216801,U2Al3Fe,-7.1944401817,-0.1461787283,0.0777722087,0.0777722087,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Fe-U,6.0,A3BC2_hR18_166_d_a_c:Al-Fe-U +mp-604254,U2Al20Fe,-4.701025215,-0.0938792224,0.0197032319,0.0197032319,GGA,I-42m,A20BC2_tI92_121_defgi3j_c_i:Al-Fe-U,46.0,"Invalid WP multiplicities - A20BC2_tI92_121_2d2e4f4g4i22j_c_i:Al-Fe-U, expected U2Al116Fe to be U2Al20Fe" +mp-1216881,U(Al3Fe)3,-5.6885527385,-0.2722714992,0.0341187928,0.0341187928,GGA,C2/m,A9B3C_mC26_12_a2j_bf_c:Al-Fe-U,13.0,A9B3C_mC26_12_b2j_ae_c:Al-Fe-U +mp-1216639,U2(AlSi)3,-6.5125153063,-0.2505776063,0.0,-0.0144414391,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Al-Si-U,8.0,A3B3C2_oP8_47_aj_bgh_k:Al-Si-U +mp-1125186,U6Fe16Si7,-8.6979773383,-0.3791488683,0.0009400739,0.0009400739,GGA,F-43m,A16B7C6_cF116_216_4e_ag_f:Fe-Si-U,29.0,"Invalid WP multiplicities - A16B7C6_cF116_216_12e_a2g_f:Fe-Si-U, expected U6Fe48Si13 to be U6Fe16Si7" +mp-642279,U6Fe16Si7,-8.6867756059,-0.3679471359,0.0121418063,0.0121418063,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Fe-Si-U,29.0,"Invalid WP multiplicities - A16B7C6_cF116_225_6f_a2d_e:Fe-Si-U, expected U6Fe48Si13 to be U6Fe16Si7" +mp-1216958,U(AlFe)6,-6.7916138315,-0.2850759662,0.0166658938,0.0166658938,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-U,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-U +mp-20121,UFeSi,-8.8293906108,-0.4338075275,0.0,-0.0136646178,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Si-U,12.0,ABC_oP12_62_c_c_c:Fe-Si-U +mp-1208103,U3(Al3Fe)4,-6.2145288063,-0.2828853942,0.0,-0.0033417424,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Fe-U,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Fe-U +mp-1217002,UAl3Fe7Si2,-7.3226553146,-0.1942766969,0.1774376169,0.1774376169,GGA,Cm,A3B7C2D_mC26_8_3a_5ab_b_a:Al-Fe-Si-U,13.0,A3B7C2D_mC26_8_3a_5ab_b_a:Al-Fe-Si-U +mp-1216328,UAl7Fe5,-6.4468577685,-0.3037387785,0.0054801012,0.0054801012,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-U,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-U +mp-1105639,U2Fe3Si5,-7.984240852,-0.472293472,0.0,-0.0230743088,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Fe-Si-U,20.0,A3B5C2_mC40_15_ef_3ef_f:Fe-Si-U +mp-1206113,UFeSi2,-8.0601503987,-0.4071335787,0.0331759089,0.0331759089,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Si-U,8.0,AB2C_oC16_63_c_2c_c:Fe-Si-U +mp-1188296,U3Al2Si3,-7.4003455975,-0.195178625,0.0631564031,0.0631564031,GGA,I4cm,A2B3C3_tI32_108_c_ac_ac:Al-Si-U,16.0,A2B3C3_tI32_108_c_ac_ac:Al-Si-U +mp-554225,CsFeF4,-5.6602810617,-2.8250578197,0.0,-0.003423072,GGA+U,P4/nmm,AB4C_tP24_129_ac_ij_e:Cs-F-Fe,24.0,AB4C_tP24_129_ac_ij_e:Cs-F-Fe +mp-1213714,Cs2FeF5,-5.3679447922,-2.8906671932,0.0,-0.0051753936,GGA+U,Pnma,A2B5C_oP32_62_2c_a2cd_c:Cs-F-Fe,32.0,A2B5C_oP32_62_2c_a2cd_c:Cs-F-Fe +mp-1194167,Cs3Fe2F9,-5.50445086,-2.8737679854,0.0001487382,-0.0112190952,GGA+U,P-62c,A3B9C2_hP28_190_cf_hi_e:Cs-F-Fe,28.0,A3B9C2_hP28_190_cf_hi_e:Cs-F-Fe +mp-541662,Cs3Fe2F9,-5.5045995982,-2.8739167237,0.0,-0.0113678334,GGA+U,P6_3/mmc,A3B9C2_hP28_194_cf_hk_e:Cs-F-Fe,28.0,A3B9C2_hP28_194_cf_hk_e:Cs-F-Fe +mp-1778883,MgFeF4,-6.0363889033,-3.0836860483,0.1270992275,0.1270992275,GGA+U,C2,A4BC_mC24_5_4c_c_ab:F-Fe-Mg,12.0,A4BC_aP12_1_8a_2a_2a:F-Fe-Mg +mp-1045307,MgFeF4,-6.0363766583,-3.0836738033,0.1271114725,0.1271114725,GGA+U,Ibam,A4BC_oI24_72_k_c_b:F-Fe-Mg,12.0,A4BC_oI24_72_k_c_b:F-Fe-Mg +mp-1396458,MgFeF4,-5.7487889258,-2.7960860708,0.414699205,0.414699205,GGA+U,I4/mcm,A4BC_tI24_140_l_d_a:F-Fe-Mg,12.0,A4BC_tI24_140_l_d_a:F-Fe-Mg +mp-1330329,MgFeF5,-5.90188469,-3.0979281046,0.051047914,0.051047914,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Fe-Mg,28.0,A5BC_mP28_14_5e_e_e:F-Fe-Mg +mp-1444570,MgFeF5,-5.9109724971,-3.1070159118,0.0419601069,0.0419601069,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Fe-Mg,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Fe-Mg, expected MgFeF7 to be MgFeF5" +mp-1225928,CsMgFeF6,-5.6809092833,-3.188178457,0.0,-0.0283353767,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Fe-Mg,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Fe-Mg, expected CsMgFeF12 to be CsMgFeF6" +mp-1022348,CsMg6Fe,-1.8918320194,0.4790559659,0.4899300001,0.4899300001,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-Fe-Mg, expected CsMg12Fe to be CsMg6Fe" +mp-1100173,CsMg6Fe,-1.972704945,0.3981830403,0.4090570745,0.4090570745,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-Fe-Mg,8.0,ABC6_oC16_38_a_a_2bde:Cs-Fe-Mg +mp-1205633,Cs3FeF6,-5.117311345,-2.8548011319,0.046895774,0.0262494297,GGA+U,I4/mmm,A3B6C_tI20_139_bd_ei_a:Cs-F-Fe,10.0,A3B6C_tI20_139_bd_ei_a:Cs-F-Fe +mp-1205629,Cs3FeF6,-5.164207119,-2.9016969059,0.0,-0.0206463443,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Fe,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Fe +mp-1197505,CsFe2F6,-6.0302948461,-2.7742594464,0.0,-0.02683525,GGA+U,Pnma,AB6C2_oP36_62_c_2c2d_ac:Cs-F-Fe,36.0,AB6C2_oP36_62_c_2c2d_ac:Cs-F-Fe +mp-1105732,CsFe2F6,-5.9855891578,-2.7295537581,0.0447056883,0.0178704383,GGA+U,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-F-Fe,18.0,AB6C2_cF72_227_a_f_d:Cs-F-Fe +mp-1027881,CsMg14Fe,-1.6918280475,0.2937559701,0.3064423434,0.3064423434,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-Fe-Mg, expected CsMg18Fe to be CsMg14Fe" +mp-1027860,CsMg14Fe,-1.7226677469,0.2629162708,0.275602644,0.275602644,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-Fe-Mg, expected CsMg26Fe to be CsMg14Fe" +mp-555302,CsFeF3,-5.7653030377,-2.7453309408,0.0074803156,0.0074803156,GGA+U,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Cs-F-Fe,30.0,"Invalid WP multiplicities - AB3C_hP30_194_bf_h2k_2af:Cs-F-Fe, expected Cs3Fe4F15 to be CsFeF3" +mp-558694,CsFeF3,-5.459423128,-2.4394510311,0.3133602253,0.3133602253,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Fe,5.0,AB3C_cP5_221_a_c_b:Cs-F-Fe +mp-616023,Cs4Fe3F10,-5.6109539453,-2.7811620163,0.0,-0.0072774364,GGA+U,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Cs-F-Fe,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_6f_2e8f4g_2a2f:Cs-F-Fe, expected Cs2FeF6 to be Cs4Fe3F10" +mp-562028,Cs7Fe4F15,-5.4470216787,-2.8000952957000003,0.0,-0.0110586616,GGA+U,P2_1/c,A7B15C4_mP52_14_a3e_c7e_2e:Cs-F-Fe,52.0,"Invalid WP multiplicities - A7B15C4_mP52_14_2a10e_c25e_6e:Cs-F-Fe, expected Cs22Fe12F51 to be Cs7Fe4F15" +mp-1402047,MgFeF6,-5.4368463763,-2.7444494931000003,0.0375291944,0.0375291944,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Fe-Mg,8.0,A6BC_hR24_148_f_a_b:F-Fe-Mg +mp-1179957,Pr(BrO2)3,-4.6508863255,-0.7388740242,0.3698603286,0.3698603286,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Br-O-Pr,20.0,A3B6C_mP20_13_eg_3g_f:Br-O-Pr +mp-1188744,Pr(BrO2)3,-4.9679867065,-1.0559744053,0.0527599476,0.0527599476,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Br-O-Pr,20.0,A3B6C_mP20_13_eg_3g_f:Br-O-Pr +mp-1201161,Pr4AsBrO8,-7.913928208,-3.2775511048,0.0,-0.0417862628,GGA,P4_2/m,ABC8D4_tP56_84_j_j_efi2j2k_2k:As-Br-O-Pr,56.0,ABC8D4_tP56_84_j_j_efi2j2k_2k:As-Br-O-Pr +mp-975666,PrBrO,-7.048840555,-3.2886329563,0.0,-0.1585790679,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Pr,6.0,ABC_tP6_129_c_a_c:Br-O-Pr +mp-756702,PrBrO,-7.01617674,-3.2559691413,0.032663815,-0.1259152529,GGA,R-3m,ABC_hR18_166_c_c_c:Br-O-Pr,6.0,ABC_hR18_166_c_c_c:Br-O-Pr +mp-754109,PrAsO4,-7.6475285725,-2.7763987383,0.0161860592,-0.3089349082,GGA,I4_1/a,AB4C_tI24_88_a_f_b:As-O-Pr,12.0,AB4C_tI24_88_a_f_b:As-O-Pr +mp-768863,PrAsO4,-7.6637146317,-2.7925847975,0.0,-0.3251209674,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Pr,12.0,AB4C_tI24_141_a_h_b:As-O-Pr +mp-1209432,Pr3AsBr3,-5.2597422818,-1.8796107589,0.0,-0.0792297551,GGA,I4_132,AB3C3_cI56_214_a_h_g:As-Br-Pr,28.0,AB3C3_cI56_214_a_h_g:As-Br-Pr +mp-1210531,Pr7(BrO6)3,-6.4690749295,-1.9274384267,0.4698917138,0.4698917138,GGA,P6_3/m,A3B18C7_hP56_176_h_6h_c2h:Br-O-Pr,56.0,A3B18C7_hP56_176_h_6h_c2h:Br-O-Pr +mp-1025461,PrBrO2,-6.4220369162,-2.3652090394,0.1083051385,0.1083051385,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Br-O-Pr,8.0,AB2C_mP8_11_e_2e_e:Br-O-Pr +mp-1207288,Pr2Br2O,-4.981013792,-1.4581024157,1.1564352538,1.1564352538,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Pr,5.0,A2BC2_tP5_123_g_a_g:Br-O-Pr +mp-1207203,MnSiP2,-6.4558443537,-0.1023597699,0.2734187663,0.2734187663,GGA,I-42d,AB2C_tI16_122_a_d_b:Mn-P-Si,8.0,AB2C_tI16_122_a_d_b:Mn-P-Si +mp-1102690,MnNiP,-7.340556795,-0.5554053021,0.0,-0.0319713673,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Ni-P,12.0,ABC_oP12_62_c_c_c:Mn-Ni-P +mp-975423,MnNiP,-7.3331617467,-0.5480102538,0.0073950483,-0.0245763189,GGA,P-62m,ABC_hP9_189_f_g_ad:Mn-Ni-P,9.0,ABC_hP9_189_f_g_ad:Mn-Ni-P +mp-1063388,MnNiP,-7.0272473067,-0.2420958138,0.3133094883,0.2813381211,GGA,F-43m,ABC_cF12_216_a_c_b:Mn-Ni-P,3.0,ABC_cF12_216_a_c_b:Mn-Ni-P +mp-1222619,Mn31Si11P,-8.2676849784,-0.148748353,0.1906176438,0.1906176438,GGA,P3,A31BC11_hP43_143_2a2b3c8d_a_a2b2c2d:Mn-P-Si,43.0,A31BC11_hP43_143_2a2b3c8d_a_a2b2c2d:Mn-P-Si +mp-1221804,Mn3NiP2,-7.8865991492,-0.5378012209,0.0,-0.0031626889,GGA,Pmc2_1,A3BC2_oP12_26_a2b_a_ab:Mn-Ni-P,12.0,A3BC2_oP12_26_a2b_a_ab:Mn-Ni-P +mp-21642,Mn3(Ni10P3)2,-6.38282994,-0.3287404739,0.0568000544,0.0568000544,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Mn-Ni-P,29.0,"Invalid WP multiplicities - A3B20C6_cF116_225_ac_3f3h_e:Mn-Ni-P, expected Mn(Ni10P)2 to be Mn3(Ni10P3)2" +mp-1222102,Mn12SiP3,-8.5658853663,-0.3402973003,0.0273243398,0.0273243398,GGA,P1,A12B3C_aP16_1_12a_3a_a:Mn-P-Si,16.0,A12B3C_aP16_1_12a_3a_a:Mn-P-Si +mp-28945,Si2NiP3,-5.7455158267,-0.2670691167,0.0011322119,0.0011322119,GGA,Imm2,AB3C2_oI12_44_a_bc_c:Ni-P-Si,6.0,AB3C2_oI12_44_a_bc_c:Ni-P-Si +mp-649521,Si2Ni5P3,-6.0042197392,-0.4050970413,0.0510877364,0.0510877364,GGA,Pbca,A5B3C2_oP80_61_5c_3c_2c:Ni-P-Si,80.0,"Invalid WP multiplicities - A5B3C2_oP80_61_33c_16c_10c:Ni-P-Si, expected Si10Ni33P16 to be Si2Ni5P3" +mp-1221342,MnNiP2,-6.9692653888,-0.5270761424,0.0065106701,0.0065106701,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Mn-Ni-P,8.0,ABC2_oP8_26_a_b_ab:Mn-Ni-P +mp-582159,Si2Ni7P5,-6.0163361905,-0.4179000939,0.036758635,0.036758635,GGA,Pbcn,A7B5C2_oP56_60_a3d_c2d_d:Ni-P-Si,56.0,"Invalid WP multiplicities - A7B5C2_oP56_60_3a20d_3c12d_d:Ni-P-Si, expected Si2Ni43P27 to be Si2Ni7P5" +mp-8311,Si3NiP4,-5.706555005,-0.2428924054,0.0,-0.0087838044,GGA,I-42m,AB4C3_tI16_121_a_i_bd:Ni-P-Si,8.0,"Invalid WP multiplicities - AB4C3_tI16_121_a_i_b2d:Ni-P-Si, expected Si5NiP4 to be Si3NiP4" +mp-510422,SiNi2P,-6.0356948641,-0.4359713899,0.0215486804,0.0215486804,GGA,Pbca,A2BC_oP32_61_2c_c_c:Ni-P-Si,32.0,A2BC_oP32_61_2c_c_c:Ni-P-Si +mp-22372,Mn6Ni16P7,-6.8176461228,-0.4263565993,0.0061371609,0.0061371609,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Mn-Ni-P,29.0,"Invalid WP multiplicities - A6B16C7_cF116_225_e_4f_ad:Mn-Ni-P, expected Mn6Ni32P7 to be Mn6Ni16P7" +mp-769632,Mn7CrO16,-8.1491252338,-1.7768679881,0.060044013,0.060044013,GGA+U,P2/m,AB7C16_mP24_10_b_cego_2m2n2o:Cr-Mn-O,24.0,"Invalid WP multiplicities - AB7C16_mP24_10_b_cdh2o_4m4n3o:Cr-Mn-O, expected Mn11CrO28 to be Mn7CrO16" +mp-2214957,Mn5Cr2O12,-8.440943796300001,-1.8895524313,0.1194094134,0.1194094134,GGA+U,P1,A2B5C12_aP19_1_2a_5a_12a:Cr-Mn-O,19.0,A2B5C12_mC38_5_ab_2abc_6c:Cr-Mn-O +mp-755906,Mn5Cr2O12,-8.4550737389,-1.9036823739,0.1052794708,0.1052794708,GGA+U,C2,A2B5C12_mC38_5_ab_2abc_6c:Cr-Mn-O,19.0,A2B5C12_mC38_5_ab_2abc_6c:Cr-Mn-O +mp-756043,Mn3CrO8,-8.1851695933,-1.7924526736000002,0.0746931927,0.0746931927,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Cr-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2c2h:Cr-Mn-O, expected Mn3CrO16 to be Mn3CrO8" +mp-756575,Mn3CrO8,-8.2024294583,-1.8097125386,0.0574333277,0.0574333277,GGA+U,R-3m,AB3C8_hR36_166_a_e_ch:Cr-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_e_2c2h:Cr-Mn-O, expected Mn3CrO16 to be Mn3CrO8" +mp-773120,Mn3CrO8,-8.2164842621,-1.8237673424,0.043378524,0.043378524,GGA+U,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Cr-Mn-O,24.0,"Invalid WP multiplicities - AB3C8_hP24_186_b_c_a2b9c:Cr-Mn-O, expected Mn3CrO30 to be Mn3CrO8" +mp-772951,Mn3CrO8,-8.1855895594,-1.7928726397,0.0742732267,0.0742732267,GGA+U,P4_332,AB3C8_cP48_212_a_d_ce:Cr-Mn-O,48.0,"Invalid WP multiplicities - AB3C8_cP48_212_a_d_8c9e:Cr-Mn-O, expected Mn3CrO70 to be Mn3CrO8" +mp-755631,MnCrO4,-8.2902857446,-1.8566494767,0.07096412,0.07096412,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Cr-Mn-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_g2i_h2i_4i5j:Cr-Mn-O, expected Mn3Cr3O14 to be MnCrO4" +mp-755908,MnCrO4,-8.2699874517,-1.8363511838,0.0912624129,0.0912624129,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Cr-Mn-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Cr-Mn-O, expected MnCrO13 to be MnCrO4" +mp-755932,MnCrO4,-8.2575370521,-1.8239007842,0.1037128125,0.1037128125,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Cr-Mn-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_5c3d:Cr-Mn-O, expected MnCrO11 to be MnCrO4" +mp-754276,MnCrO4,-8.3024022742,-1.8687660063,0.0588475904,0.0588475904,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Mn-O,12.0,ABC4_oC24_63_c_a_fg:Cr-Mn-O +mp-1290512,Mn3Cr3O8,-9.1136726161,-2.2551941892,0.0109233743,0.0109233743,GGA+U,C2/m,A3B3C8_mC28_12_ae_ci_2ij:Cr-Mn-O,28.0,"Invalid WP multiplicities - A3B3C8_mC28_12_ae_di_3i2j:Cr-Mn-O, expected Mn3Cr3O14 to be Mn3Cr3O8" +mp-1221796,Mn3Cr3O8,-9.1015438936,-2.2430654667,0.0230520968,0.0230520968,GGA+U,R-3m,A3B3C8_hR42_166_d_ac_ch:Cr-Mn-O,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_d_ac_2c2h:Cr-Mn-O, expected Mn3Cr3O16 to be Mn3Cr3O8" +mp-765581,Mn2CrO4,-9.0024332861,-2.1790285862,0.0154285446,0.0154285446,GGA+U,P-1,AB2C4_aP28_2_abcf_eh3i_8i:Cr-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_aP28_2_abcf_eh6i_13i:Cr-Mn-O, expected Mn7Cr2O13 to be Mn2CrO4" +mp-34139,Mn2CrO4,-9.0136125786,-2.1902078787,0.0042492521,0.0042492521,GGA+U,C2/c,AB2C4_mC28_15_a_ce_2f:Cr-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_15_c_2a2e_2f:Cr-Mn-O, expected Mn4CrO4 to be Mn2CrO4" +mp-675077,Mn2CrO4,-8.9851562314,-2.1617515316,0.0327055993,0.0327055993,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Cr-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_15_c_2ae_6f:Cr-Mn-O, expected Mn3CrO12 to be Mn2CrO4" +mp-773028,Mn7Cr12O48,-7.8337631372,-1.6037372443,0.0788143661,0.0788143661,GGA+U,P1,A12B7C48_aP67_1_12a_7a_48a:Cr-Mn-O,67.0,A12B7C48_aP67_1_12a_7a_48a:Cr-Mn-O +mp-760285,Mn2Cr3O12,-7.9834085216,-1.7102651376,0.0272494551,0.0272494551,GGA+U,P2_1/c,A3B2C12_mP68_14_3e_2e_12e:Cr-Mn-O,68.0,"Invalid WP multiplicities - A3B2C12_mP68_14_11e_3e_43e:Cr-Mn-O, expected Mn3Cr11O43 to be Mn2Cr3O12" +mp-772631,Mn2Cr3O12,-7.9802210824,-1.7070776983,0.0304368944,0.0304368944,GGA+U,Pbcn,A3B2C12_oP68_60_cd_d_6d:Cr-Mn-O,68.0,"Invalid WP multiplicities - A3B2C12_oP68_60_2c2d_d_21d:Cr-Mn-O, expected MnCr3O21 to be Mn2Cr3O12" +mp-756938,Mn3Cr5O16,-8.3349956558,-1.8808997139,0.076947748,0.076947748,GGA+U,Cm,A5B3C16_mC48_8_3ab_ab_8a4b:Cr-Mn-O,24.0,"Invalid WP multiplicities - A5B3C16_mC48_8_3a2b_ab_8a6b:Cr-Mn-O, expected Mn3Cr7O20 to be Mn3Cr5O16" +mp-1221838,Mn3Cr2O8,-8.5466899746,-1.9031783972,0.1991451592,0.1991451592,GGA+U,R-3m,A2B3C8_hR39_166_c_d_ch:Cr-Mn-O,13.0,"Invalid WP multiplicities - A2B3C8_hR39_166_c_d_2c2h:Cr-Mn-O, expected Mn3Cr2O16 to be Mn3Cr2O8" +mp-1193329,Mn2CrPb2O9,-7.4630134589,-1.7542584164,0.0,-0.0032279313,GGA+U,P-1,AB2C9D2_aP28_2_i_2i_9i_2i:Cr-Mn-O-Pb,28.0,AB2C9D2_aP28_2_i_2i_9i_2i:Cr-Mn-O-Pb +mp-1176453,Mn5CrO12,-8.1771001878,-1.7980230508,0.0489669054,0.0489669054,GGA+U,C2/m,AB5C12_mC36_12_a_dgh_2i2j:Cr-Mn-O,18.0,"Invalid WP multiplicities - AB5C12_mC36_12_a_cg2h_4i5j:Cr-Mn-O, expected Mn7CrO28 to be Mn5CrO12" +mp-757545,Mn6Cr9O20,-9.1770226429,-2.2974999798,0.0116138433,0.0116138433,GGA+U,R-3m,A9B6C20_hR210_166_acd2h_6c_5c5h:Cr-Mn-O,70.0,"Invalid WP multiplicities - A9B6C20_hR210_166_a2c2d6h_10c_10c19h:Cr-Mn-O, expected Mn20Cr47O134 to be Mn6Cr9O20" +mp-775873,Mn13Cr3O32,-8.1601272596,-1.7776401769,0.0743887568,0.0743887568,GGA+U,C2/m,A3B13C32_mC96_12_ah_bfi2j_4i6j:Cr-Mn-O,48.0,"Invalid WP multiplicities - A3B13C32_mC96_12_ah_bei5j_8i15j:Cr-Mn-O, expected Mn25Cr3O76 to be Mn13Cr3O32" +mp-1221988,Mn5CrO8,-8.8967843786,-2.1084534057,0.0143432925,0.0143432925,GGA+U,C2/m,AB5C8_mC28_12_a_cei_2ij:Cr-Mn-O,14.0,"Invalid WP multiplicities - AB5C8_mC28_12_c_bei_3ij:Cr-Mn-O, expected Mn5CrO10 to be Mn5CrO8" +mp-760027,MnCr3O8,-8.3721184433,-1.8975628273,0.0905184998,0.0905184998,GGA+U,Cmc2_1,A3BC8_oC48_36_ab_a_4a2b:Cr-Mn-O,24.0,"Invalid WP multiplicities - A3BC8_oC48_36_a2b_a_6a6b:Cr-Mn-O, expected MnCr5O18 to be MnCr3O8" +mp-28226,MnCr2O4,-9.23133015,-2.3377779961,0.0,-0.0474246566,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Mn-O,14.0,A2BC4_cF56_227_c_b_e:Cr-Mn-O +mp-771053,Mn5Cr3O16,-8.2153734798,-1.802196886,0.0951828455,0.0951828455,GGA+U,P1,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O,48.0,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O +mp-877768,Mn5Cr3O16,-6.8369352552,-0.4237586614,1.4736210701,1.4736210701,GGA+U,P1,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O,48.0,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O +mp-1353690,Mn5Cr3O16,-7.2020203085,-0.7888437148,1.1085360168,1.1085360168,GGA+U,P1,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O,48.0,A3B5C16_aP48_1_6a_10a_32a:Cr-Mn-O +mp-771133,Mn5Cr3O16,-8.256713815,-1.8435372212,0.0538425103,0.0538425103,GGA+U,Cm,A3B5C16_mC48_8_ab_3ab_8a4b:Cr-Mn-O,24.0,"Invalid WP multiplicities - A3B5C16_mC48_8_ab_3ab_8a6b:Cr-Mn-O, expected Mn5Cr3O20 to be Mn5Cr3O16" +mp-1222112,Mn5Cr4O12,-9.0735506664,-2.2267634819,0.0154672707,0.0154672707,GGA+U,P-1,A4B5C12_aP42_2_ab3i_ef4i_12i:Cr-Mn-O,42.0,"Invalid WP multiplicities - A4B5C12_aP42_2_ab4i_ef8i_24i:Cr-Mn-O, expected Mn9Cr5O24 to be Mn5Cr4O12" +mp-1222248,Mn5Cr4O12,-9.0733006867,-2.2265135021,0.0157172505,0.0157172505,GGA+U,P-1,A4B5C12_aP42_2_cf3i_ab4i_12i:Cr-Mn-O,42.0,"Invalid WP multiplicities - A4B5C12_aP42_2_cf3i_ab7i_24i:Cr-Mn-O, expected Mn2CrO6 to be Mn5Cr4O12" +mp-754200,Mn4CrO8,-8.5915128138,-1.9857729424,0.0487298591,0.0487298591,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Cr-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_b_acf_3i2j:Cr-Mn-O, expected Mn4CrO14 to be Mn4CrO8" +mp-771190,Mn15CrO32,-8.1345425842,-1.7725151756000002,0.049279893,0.049279893,GGA+U,C2/m,AB15C32_mC96_12_a_bfhi2j_4i6j:Cr-Mn-O,48.0,"Invalid WP multiplicities - AB15C32_mC96_12_a_b2e2hi8j_8i16j:Cr-Mn-O, expected Mn43CrO80 to be Mn15CrO32" +mp-775006,Mn2CrO6,-8.2202234178,-1.8138667154,0.0734350611,0.0734350611,GGA+U,C2/m,AB2C6_mC18_12_a_i_3i:Cr-Mn-O,9.0,"Invalid WP multiplicities - AB2C6_mC18_12_a_i_5i:Cr-Mn-O, expected Mn2CrO10 to be Mn2CrO6" +mp-753734,Mn2CrO6,-8.2213141033,-1.8149574009,0.0723443756,0.0723443756,GGA+U,Cmce,AB2C6_oC36_64_a_d_fg:Cr-Mn-O,18.0,"Invalid WP multiplicities - AB2C6_oC36_64_a_d_2f3g:Cr-Mn-O, expected Mn2CrO16 to be Mn2CrO6" +mp-1112212,K2HgAsCl6,-3.27804507,-1.4505634076,0.0938067433,0.0938067433,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Hg-K +mp-7420,KHgAs,-2.3763764267,-0.3519771877,0.0,-0.0232457311,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Hg-K,6.0,ABC_hP6_194_c_d_a:As-Hg-K +mp-1211367,KHg5Cl11,-2.5088485259,-1.1581012299,0.0006629495,0.0006629495,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-K,17.0,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-K +mp-29484,K4HgAs2,-2.4482732843,-0.4392000039,0.0,-0.0732087126,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Hg-K,7.0,A2BC4_hR21_166_c_a_2c:As-Hg-K +mp-725973,K2HgCl4,-3.149941445,-1.7329950309000002,0.0,-0.0091111093,GGA,Pbam,A4BC2_oP28_55_ghi_e_gh:Cl-Hg-K,28.0,A4BC2_oP28_55_ghi_e_gh:Cl-Hg-K +mp-571661,K2HgCl4,-3.0992177511,-1.6822713369,0.0507236939,0.0416125846,GGA,Pnma,A4BC2_oP28_62_2cd_c_ab:Cl-Hg-K,28.0,"Invalid WP multiplicities - A4BC2_oP28_62_8c6d_c_3a4b:Cl-Hg-K, expected K7HgCl20 to be K2HgCl4" +mp-1097374,La2InGa,-2.0870256925,1.8259227981,2.374260915,2.374260915,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-In-La,4.0,ABC2_oI8_71_a_b_e:Ga-In-La +mp-11623,LaInO3,-7.436104474,-2.9305530803,0.0058135406,0.0058135406,GGA,Pnma,ABC3_oP20_62_a_c_cd:In-La-O,20.0,ABC3_oP20_62_a_c_cd:In-La-O +mp-1223865,In(GaO2)3,-6.254953457,-2.1033430505,0.0984336757,0.0984336757,GGA,Cm,A3BC6_mC20_8_3a_a_6a:Ga-In-O,,A3BC6_mC20_8_3a_a_6a:Ga-In-O +mp-8098,InGaO3,-6.255757647,-2.1317884698,0.0020049375,0.0020049375,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Ga-In-O,10.0,ABC3_hP10_194_c_a_bf:Ga-In-O +mp-1211871,La3In2(GaO4)3,-7.311102419,-2.8733053501,0.0,-0.0254165511,GGA,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Ga-In-La-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Ga-In-La-O +mp-1102077,NaAlF4,-5.7334709608,-3.6144681286,0.0,-0.0037943305,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Al-F-Na,12.0,AB4C_oC24_63_c_acf_c:Al-F-Na +mp-7723,NaAlF4,-5.6294502383000005,-3.5104474061,0.1040207225,0.100226392,GGA,P4/mmm,AB4C_tP6_123_b_eg_c:Al-F-Na,6.0,AB4C_tP6_123_b_eg_c:Al-F-Na +mp-3416,Na3AlF6,-5.3130710605,-3.394868509,0.0,-0.0326896972,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Al-F-Na,20.0,AB6C3_mP20_14_a_3e_be:Al-F-Na +mp-5468,Na3AlF6,-5.253338794,-3.3351362425,0.0597322665,0.0270425693,GGA,Immm,AB6C3_oI20_71_a_el_bf:Al-F-Na,10.0,AB6C3_oI20_71_a_el_bf:Al-F-Na +mp-676512,Na3AlF6,-5.300250766,-3.3820482145,0.0128202945,-0.0198694027,GGA,R-3,AB6C3_hR30_148_a_f_bc:Al-F-Na,10.0,AB6C3_hR30_148_a_f_bc:Al-F-Na +mp-1111945,Na3AlF6,-5.25184552,-3.3336429685,0.0612255405,0.0285358433,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-F-Na,10.0,AB6C3_cF40_225_a_e_bc:Al-F-Na +mp-4752,Na5Al3F14,-5.5439688827,-3.5162389054,0.0,-0.0015887857,GGA,P4/mnc,A3B14C5_tP44_128_ac_ehi_bg:Al-F-Na,44.0,A3B14C5_tP44_128_ac_ehi_bg:Al-F-Na +mp-559982,Na2AlZnF7,-5.1481777645,-3.2362938737,0.0032958978,0.0032958978,GGA,Imma,AB7C2D_oI44_74_a_ehj_bc_d:Al-F-Na-Zn,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_e4h5j_2bc_d:Al-F-Na-Zn, expected Na3AlZnF29 to be Na2AlZnF7" +mp-1186799,PuPbO3,-9.128231406,-2.5641210993,0.2141319438,0.2141319438,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Pu,5.0,A3BC_cP5_221_c_a_b:O-Pb-Pu +mp-1207268,Ba2PuPbO6,-7.940213819,-2.7903570643,0.0,-0.016128249,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pb-Pu,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pb-Pu +mp-1210063,NaReO2,-7.2168494287,-1.3017419535,0.5911960855,0.5911960855,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Na-O-Re,16.0,AB2C_tI32_141_c_h_d:Na-O-Re +mp-976923,NaReO3,-7.799296918,-2.0778731956,0.0417952147,0.0417952147,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Re,5.0,AB3C_cP5_221_a_c_b:Na-O-Re +mp-4035,RbReO4,-7.8912154742,-2.3559127904,0.0,-0.5194149347,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-Rb-Re,12.0,A4BC_tI24_88_f_a_b:O-Rb-Re +mp-28205,Na3ReO5,-6.7231169633,-2.1513895609,0.0,-0.0194366689,GGA,P3_121,A3B5C_hP27_152_bc_a2c_a:Na-O-Re,27.0,"Invalid WP multiplicities - A3B5C_hP27_152_bc_a3c_a:Na-O-Re, expected Na3ReO7 to be Na3ReO5" +mp-975216,RbReO3,-7.627734916,-1.9747094378,0.1466208092,0.1466208092,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Re,5.0,A3BC_cP5_221_c_a_b:O-Rb-Re +mp-1209340,RbReO2,-6.877800075,-1.048190405,0.7212660268000001,0.7212660268000001,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Rb-Re,16.0,A2BC_tI32_141_h_c_d:O-Rb-Re +mp-1209462,Rb3NaRe2O9,-7.143673945,-2.2321152595,0.0,-0.0698240191,GGA,P6_3/mmc,AB9C3D2_hP30_194_a_hk_bf_f:Na-O-Rb-Re,30.0,AB9C3D2_hP30_194_a_hk_bf_f:Na-O-Rb-Re +mp-1210286,Na2ReO3,-7.0077597204,-2.0194857361,0.0,-0.0471586348,GGA,P6_3/mcm,A2B3C_hP24_193_cd_k_e:Na-O-Re,24.0,A2B3C_hP24_193_cd_k_e:Na-O-Re +mp-8253,Na5ReO6,-6.1239588358,-2.0625183425,0.0,-0.0892362283,GGA,C2/m,A5B6C_mC24_12_agh_ij_d:Na-O-Re,12.0,"Invalid WP multiplicities - A5B6C_mC24_12_a2gh_2ij_d:Na-O-Re, expected Na7ReO8 to be Na5ReO6" +mp-5558,NaReO4,-7.8631232117,-2.2708219911,0.0,-0.1812996894,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Na-O-Re,12.0,AB4C_tI24_88_a_f_b:Na-O-Re +mp-29835,K2SnTe3,-3.5087856275,-0.8987377227000001,0.0,-0.001039485,GGA,Cmce,A2BC3_oC48_64_2d_d_fg:K-Sn-Te,24.0,A2BC3_oC48_64_2d_d_fg:K-Sn-Te +mp-28080,K2SnTe5,-3.5421005262,-0.7987381243,0.0,-0.0767622621,GGA,I4/mcm,A2BC5_tI32_140_ac_b_dl:K-Sn-Te,16.0,"Invalid WP multiplicities - A2BC5_tI32_140_ac_b_d2l:K-Sn-Te, expected K2SnTe9 to be K2SnTe5" +mp-540619,K3SnTe3,-3.4072790593,-1.0114667199,0.0,-0.0561172432,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:K-Sn-Te,28.0,A3BC3_mP28_14_3e_e_3e:K-Sn-Te +mp-1097108,K2HgTe,-1.5352643725,-0.1183183344,0.7552001288,0.7552001288,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-K-Te,4.0,AB2C_oI8_71_a_e_b:Hg-K-Te +mp-1223855,K2SnHgTe4,-3.1613810475,-0.7729718366,0.0,-0.0040535156,GGA,I-42m,AB2CD4_tI16_121_a_c_b_i:Hg-K-Sn-Te,8.0,AB2CD4_tI16_121_a_c_b_i:Hg-K-Sn-Te +mp-1218991,SmZnCuP2,-4.944792218,-0.7639639323,0.0,-0.0447716244,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Cu-P-Sm-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Cu-P-Sm-Zn +mp-15109,Sm(ZnP)3,-4.1361612471,-0.6022006064000001,0.0,-0.0201929511,GGA,P6_3/mmc,A3BC3_hP14_194_cf_a_df:P-Sm-Zn,14.0,A3BC3_hP14_194_cf_a_df:P-Sm-Zn +mp-8287,SmCuP2,-5.7595953375,-0.8484958829,0.0,-0.0233077734,GGA,I4/mmm,AB2C_tI16_139_d_ce_e:Cu-P-Sm,8.0,AB2C_tI16_139_d_ce_e:Cu-P-Sm +mp-1219156,Sm4Cu5P7,-5.6227082187,-0.7937397540000001,0.0384123556,0.0384123556,GGA,I-42m,A5B7C4_tI32_121_ade_bci_i:Cu-P-Sm,16.0,A5B7C4_tI32_121_ade_bci_i:Cu-P-Sm +mp-1211976,La23Mg4Ir7,-5.8032560104,-0.4562465141,0.0,-0.0108297865,GGA,P6_3mc,A7B23C4_hP68_186_b2c_ab7c_ac:Ir-La-Mg,68.0,A7B23C4_hP68_186_b2c_ab7c_ac:Ir-La-Mg +mp-1030635,LaMg3O4,-6.3419995337,-2.6515492712,0.4688477171,0.4688477171,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:La-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:La-Mg-O, expected LaMg3O7 to be LaMg3O4" +mp-570078,La4MgIr,-5.4173627521,-0.3869056438,0.0,-0.0018200458,GGA,F-43m,AB4C_cF96_216_e_efg_e:Ir-La-Mg,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_3e5f6g_e:Ir-La-Mg, expected La39(MgIr)2 to be La4MgIr" +mp-755142,La2MgO4,-8.0360432457,-3.5704648021,0.069908478,0.069908478,GGA,Cmce,A2BC4_oC28_64_f_a_ef:La-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_64_f_a_3e2f:La-Mg-O, expected La2MgO10 to be La2MgO4" +mp-754808,La2MgO4,-8.0199113871,-3.5543329436,0.0860403366,0.0860403366,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:La-Mg-O,7.0,A2BC4_tI14_139_e_a_ce:La-Mg-O +mp-6732,La2MgIrO6,-7.9427691405,-2.9436830698,0.0,-0.0070344276,GGA,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-La-Mg-O,20.0,AB2CD6_mP20_14_a_e_b_3e:Ir-La-Mg-O +mp-1185776,Mg2Ir2O5,-6.3506394344,-1.282764766,0.7054569969000001,0.7054569969000001,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Ir-Mg-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_ab_h_c2i:Ir-Mg-O, expected Mg2Ir2O9 to be Mg2Ir2O5" +mp-1016826,MgIrO3,-6.250591468,-1.1948353952,0.7838253470000001,0.7838253470000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ir-Mg-O,5.0,ABC3_cP5_221_b_a_c:Ir-Mg-O +mp-1184964,LaMgO3,-7.22541901,-2.9501483523000003,0.2089210037,0.2089210037,GGA,Pm-3m,ABC3_cP5_221_a_b_c:La-Mg-O,5.0,ABC3_cP5_221_a_b_c:La-Mg-O +mp-1194732,Ba2As2O7,-6.8532482461,-2.5093384581,0.0,-0.0213202875,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:As-Ba-O,44.0,A2B2C7_aP44_2_4i_4i_14i:As-Ba-O +mp-8300,Ba4As2O,-4.7151875957,-1.5807839841,0.0,-0.0117929445,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:As-Ba-O,7.0,A2B4C_tI14_139_e_ce_a:As-Ba-O +mp-1196154,Ba(As2O7)2,-6.0340755555,-1.3072813178,0.3064441322,0.3064441322,GGA,Pmna,A4BC14_oP38_53_fh_a_3h2i:As-Ba-O,38.0,A4BC14_oP38_53_fh_a_3h2i:As-Ba-O +mp-9783,Ba3(AsO4)2,-6.8965041038,-2.6927601562,0.0,-0.1349693294,GGA,R-3m,A2B3C8_hR39_166_c_ac_ch:As-Ba-O,13.0,A2B3C8_hR39_166_c_ac_ch:As-Ba-O +mp-675757,Ba2As6O11,-5.9710506668,-1.433880344,0.6331554413,0.6045545446,GGA,P1,A6B2C11_aP19_1_6a_2a_11a:As-Ba-O,19.0,A6B2C11_aP19_1_6a_2a_11a:As-Ba-O +mp-1228580,Ba2As6O11,-6.6035691421,-2.0663988193,0.0006369661,-0.0279639307,GGA,P1,A6B2C11_aP19_1_6a_2a_11a:As-Ba-O,19.0,A6B2C11_aP19_1_6a_2a_11a:As-Ba-O +mp-757280,Ba2As6O11,-6.6042061082,-2.0670357853,0.0,-0.0286008967,GGA,P-1,A6B2C11_aP38_2_6i_2i_11i:As-Ba-O,38.0,"Invalid WP multiplicities - A6B2C11_aP38_2_11i_3i_21i:As-Ba-O, expected Ba3As11O21 to be Ba2As6O11" +mp-1195437,BaAs2O9,-5.5551499988,-0.9086991528,0.7355106574,0.7355106574,GGA,P-1,A2BC9_aP48_2_4i_2i_18i:As-Ba-O,48.0,A2BC9_aP48_2_4i_2i_18i:As-Ba-O +mp-1190335,BaCdAs2O7,-6.3611693886000005,-2.1078127987,0.0,-0.0121161128,GGA,P-1,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Cd-O,22.0,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Cd-O +mp-1198220,BaAs2O5,-6.0312099103,-1.5348779970000002,0.69961967,0.69961967,GGA,P-1,A2BC5_aP32_2_4i_2i_10i:As-Ba-O,32.0,A2BC5_aP32_2_4i_2i_10i:As-Ba-O +mp-1105233,Ba(AsO3)2,-6.7386513044,-2.1922797469,0.0,-0.0515581433,GGA,C2/c,A2BC6_mC36_15_2e_e_3f:As-Ba-O,18.0,A2BC6_mC36_15_2e_e_3f:As-Ba-O +mp-1217945,TaInBi2O7,-7.4543004018,-2.2800039837,0.0440740105,0.0440740105,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Bi-In-O-Ta,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Bi-In-O-Ta, expected TaInBi2O13 to be TaInBi2O7" +mp-1218166,Ta2InBiO8,-8.5411851442,-2.71774866,0.0447941569,0.0447941569,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Bi-In-O-Ta,24.0,ABC8D2_aP24_2_i_i_8i_2i:Bi-In-O-Ta +mp-768468,In2Bi2O7,-5.9796897339,-1.633220034,0.080588888,0.080588888,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Bi-In-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_4_7a_7a_27a:Bi-In-O, expected In7Bi7O27 to be In2Bi2O7" +mp-556892,InBiO3,-6.087572438,-1.8011246393,0.028943077,0.028943077,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:Bi-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_33_a_a_7a:Bi-In-O, expected InBiO7 to be InBiO3" +mp-561102,InBiO3,-6.0765920465,-1.7901442478,0.0399234685,0.0399234685,GGA,Pnma,ABC3_oP20_62_c_a_cd:Bi-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c3d:Bi-In-O, expected InBiO9 to be InBiO3" +mp-545379,InBiO3,-5.620489452,-1.3340416533,0.496026063,0.496026063,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-In-O,5.0,ABC3_cP5_221_a_b_c:Bi-In-O +mp-1218158,Ta4InBi3O16,-8.5871821367,-2.7183787608000003,0.0190868932,0.0190868932,GGA,P1,A3BC16D4_aP24_1_3a_a_16a_4a:Bi-In-O-Ta,24.0,A3BC16D4_aP24_1_3a_a_16a_4a:Bi-In-O-Ta +mp-1235177,LiIn4(Ge2O7)2,-6.3308121787000005,-1.9542290846,0.1178898611,0.1178898611,GGA,R3m,A4B4CD14_hR69_160_ab_ab_a_2a4b:Ge-In-Li-O,23.0,"Invalid WP multiplicities - A4B4CD14_hR69_160_ab_ab_a_2a12b:Ge-In-Li-O, expected LiIn4(Ge2O19)2 to be LiIn4(Ge2O7)2" +mp-1236237,LiIn4(Ge2O7)2,-6.3042784743,-1.9276953803,0.1444235655,0.1444235655,GGA,F-43m,A4B4CD14_cF92_216_e_e_a_bcfg:Ge-In-Li-O,23.0,A4B4CD14_cF92_216_e_e_a_bcfg:Ge-In-Li-O +mp-753783,Li5InO4,-5.222764879,-2.0144595882,0.0482979025,0.0482979025,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:In-Li-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:In-Li-O, expected Li14InO10 to be Li5InO4" +mp-778877,Li5InO4,-5.257388862,-2.0490835712,0.0136739195,0.0136739195,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:In-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:In-Li-O, expected Li17InO13 to be Li5InO4" +mp-5280,In2Ge2O7,-6.5511133636,-2.0623638956,0.0,-0.0208493297,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:Ge-In-O,11.0,A2B2C7_mC22_12_i_h_aij:Ge-In-O +mp-1190319,In2Ge2O7,-6.5302695823,-2.0415201142,0.0208437814,-5.5483e-06,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Ge-In-O,22.0,A2B2C7_cF88_227_d_c_af:Ge-In-O +mp-27417,Li3InO3,-5.3840286932,-2.0528117698,0.0102609261,0.0102609261,GGA,P-31c,AB3C3_hP28_163_ac_i_i:In-Li-O,28.0,AB3C3_hP28_163_ac_i_i:In-Li-O +mp-17854,LiInGeO4,-6.3267470568,-2.1738343001,0.0,-0.0113977982,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Ge-In-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_a_5c3d:Ge-In-Li-O, expected LiInGeO11 to be LiInGeO4" +mp-1222354,LiInO2,-5.7001888775000005,-2.0616928727,0.0021678362,-0.0317915198,GGA,I4_1md,ABC2_tI16_109_a_a_2a:In-Li-O,8.0,"Invalid WP multiplicities - ABC2_tI16_109_a_a_3a:In-Li-O, expected LiInO3 to be LiInO2" +mp-5488,LiInO2,-5.7023567137,-2.063860709,0.0,-0.033959356,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:In-Li-O,8.0,ABC2_tI16_141_a_b_e:In-Li-O +mp-764995,Sr12Mn6O23,-7.3291365234,-2.7188961929,0.0014964991,0.0014964991,GGA+U,P-1,A6B23C12_aP41_2_bc2i_e11i_6i:Mn-O-Sr,41.0,"Invalid WP multiplicities - A6B23C12_aP41_2_bc3i_e21i_9i:Mn-O-Sr, expected Sr18Mn8O43 to be Sr12Mn6O23" +mp-698650,Sr13Mn8O30,-6.798262288,-2.0206113357,0.5810300103,0.5810300103,GGA+U,P1,A8B30C13_aP51_1_8a_30a_13a:Mn-O-Sr,51.0,A8B30C13_aP51_1_8a_30a_13a:Mn-O-Sr +mp-1173350,Sr13Mn8O30,-7.3546104351,-2.5769594828,0.0246818632,0.0246818632,GGA+U,P-1,A8B30C13_aP51_2_4i_bc14i_a6i:Mn-O-Sr,51.0,"Invalid WP multiplicities - A8B30C13_aP51_2_7i_bc27i_a12i:Mn-O-Sr, expected Sr25Mn14O56 to be Sr13Mn8O30" +mp-1203901,SrMn2O11,-6.0982300802,-0.7820086615,0.4982204679,0.4982204679,GGA+U,P2_13,A2B11C_cP56_198_2a_2a3b_a:Mn-O-Sr,56.0,A2B11C_cP56_198_2a_2a3b_a:Mn-O-Sr +mp-767781,Sr16Mn8O29,-7.3423780821,-2.7427178893,0.0,-0.0181982799,GGA+U,P1,A8B29C16_aP53_1_8a_29a_16a:Mn-O-Sr,53.0,A8B29C16_aP53_1_8a_29a_16a:Mn-O-Sr +mp-1173572,Sr16Mn8O29,-7.1319073662,-2.5322471735,0.2104707158,0.192272436,GGA+U,P1,A8B29C16_aP53_1_8a_29a_16a:Mn-O-Sr,53.0,A8B29C16_aP53_1_8a_29a_16a:Mn-O-Sr +mp-1218659,Sr7Mn7O20,-7.6385823324,-2.4946312899,0.0262865761,0.0262865761,GGA+U,P2/m,A7B20C7_mP34_10_b3n_ah3m6n_c3m:Mn-O-Sr,34.0,A7B20C7_mP34_10_b3n_ae3m6n_c3m:Mn-O-Sr +mp-1218641,Sr7Mn4O15,-7.3914931454,-2.6732298373,0.0014719785,-0.012585361,GGA+U,Pc,A4B15C7_mP52_7_4a_15a_7a:Mn-O-Sr,52.0,"Invalid WP multiplicities - A4B15C7_mP52_7_6a_22a_10a:Mn-O-Sr, expected Sr5Mn3O11 to be Sr7Mn4O15" +mp-28761,Sr7Mn4O15,-7.3929651238,-2.6747018158,0.0,-0.0140573394,GGA+U,P2_1/c,A4B15C7_mP52_14_2e_a7e_c3e:Mn-O-Sr,52.0,A4B15C7_mP52_14_2e_a7e_c3e:Mn-O-Sr +mp-559975,SrMnO3,-7.6389496565,-2.5006346807,0.0,-0.0315540709,GGA+U,C222_1,AB3C_oC40_20_c_ab2c_ab:Mn-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oC40_20_c_2ab6c_2a2b:Mn-O-Sr, expected Sr4Mn2O15 to be SrMnO3" +mp-1218206,SrMnO3,-7.626330753,-2.4880157772,0.0126189035,-0.0189351674,GGA+U,P6_3mc,AB3C_hP20_186_2b_2c_ab:Mn-O-Sr,20.0,"Invalid WP multiplicities - AB3C_hP20_186_4b_2c_ab:Mn-O-Sr, expected SrMn2O3 to be SrMnO3" +mp-19001,SrMnO3,-7.6358860055,-2.4975710297,0.003063651,-0.0284904199,GGA+U,P6_3/mmc,AB3C_hP20_194_f_gh_ac:Mn-O-Sr,20.0,AB3C_hP20_194_f_gh_ac:Mn-O-Sr +mp-1193101,SrMnO3,-7.6239041147,-2.4855891388,0.0150455418,-0.016508529,GGA+U,P6_3/mmc,AB3C_hP30_194_af_hk_bf:Mn-O-Sr,30.0,AB3C_hP30_194_af_hk_bf:Mn-O-Sr +mp-1017466,SrMnO3,-7.589702307,-2.4513873312,0.0492473495,0.0176932786,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Sr,20.0,AB3C_cP5_221_b_c_a:Mn-O-Sr +mp-1200058,Sr4Mn3O10,-7.5075769543,-2.5834059659,0.0059688228,0.0059688228,GGA+U,P222_1,A3B10C4_oP68_17_ab2e_2c2d8e_4e:Mn-O-Sr,68.0,A3B10C4_oP68_17_ab2e_2c2d8e_4e:Mn-O-Sr +mp-18998,Sr4Mn3O10,-7.5101461524,-2.585975164,0.0033996248,0.0033996248,GGA+U,Cmce,A3B10C4_oC68_64_af_e2fg_2f:Mn-O-Sr,34.0,"Invalid WP multiplicities - A3B10C4_oC68_64_2a2f_4e6f4g_4f:Mn-O-Sr, expected Sr4Mn3O18 to be Sr4Mn3O10" +mp-1302890,SrMn7O12,-8.3923390297,-2.1331457781,0.0030253069,0.0030253069,GGA+U,C2/m,A7B12C_mC40_12_abcef_2i2j_d:Mn-O-Sr,40.0,"Invalid WP multiplicities - A7B12C_mC80_12_ad2e2f2i2j_6i11j_bc:Mn-O-Sr, expected SrMn11O28 to be SrMn7O12" +mp-1105126,SrMn7O12,-8.392083155,-2.1328899034,0.0032811817,0.0032811817,GGA+U,R-3,A7B12C_hR60_148_ade_2f_b:Mn-O-Sr,20.0,A7B12C_hR60_148_ade_2f_b:Mn-O-Sr +mp-1105343,SrMn7O12,-8.3936539995,-2.1344607479,0.0017103372,0.0017103372,GGA+U,Im-3,A7B12C_cI40_204_bc_g_a:Mn-O-Sr,20.0,A7B12C_cI40_204_bc_g_a:Mn-O-Sr +mp-18978,Sr2MnO4,-7.3151634343,-2.696912428,0.0065769004,0.0065769004,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Mn-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Mn-O-Sr +mp-1208638,SrMn2O6,-7.3151875444,-1.7936701772,0.1977973574,0.1977973574,GGA+U,P-62m,A2B6C_hP9_189_c_i_b:Mn-O-Sr,9.0,A2B6C_hP9_189_c_i_b:Mn-O-Sr +mp-1218261,SrHoMn2O6,-8.180722127,-2.7531156095,0.0332519976,0.0332519976,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ho-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_3a6b_a:Ho-Mn-O-Sr, expected SrHoMn2O15 to be SrHoMn2O6" +mp-1076718,Sr2Mn2O5,-7.7083016644,-2.5486948814,0.0239672261,0.0123684814,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Mn-O-Sr,18.0,A2B5C2_oI36_46_ab_b2c_c:Mn-O-Sr +mp-18798,Sr2Mn2O5,-7.7322688906,-2.5726621075,0.0,-0.0115987447,GGA+U,Pbam,A2B5C2_oP18_55_g_agh_h:Mn-O-Sr,18.0,A2B5C2_oP18_55_g_agh_h:Mn-O-Sr +mp-1281727,Sr2Mn2O5,-7.6751218389,-2.5155150559,0.0571470517,0.0455483069,GGA+U,Cmmm,A2B5C2_oC18_65_ab_cgi_f:Mn-O-Sr,18.0,"Invalid WP multiplicities - A2B5C2_oC18_65_2a2b_cgi_f:Mn-O-Sr, expected Sr2Mn4O5 to be Sr2Mn2O5" +mp-1096819,Sr2Mn2O5,-7.673232203299999,-2.5136254203,0.0590366872,0.0474379425,GGA+U,P4/mmm,A2B5C2_tP9_123_ac_bj_e:Mn-O-Sr,18.0,"Invalid WP multiplicities - A2B5C2_tP9_123_2a2c_bj_e:Mn-O-Sr, expected Sr2Mn4O5 to be Sr2Mn2O5" +mp-1208580,Sr3Mn2O12,-6.2708487729,-1.4030384506,0.4572711629,0.4572711629,GGA+U,Ia-3d,A2B12C3_cI136_230_a_h_c:Mn-O-Sr,68.0,A2B12C3_cI136_230_a_h_c:Mn-O-Sr +mp-705675,Sr3Mn4O12,-7.48344048,-2.1636085819,0.0958416611,0.0958416611,GGA+U,P-3m1,A4B12C3_hP19_164_2d_efi_ad:Mn-O-Sr,19.0,"Invalid WP multiplicities - A4B12C3_hP19_164_3d_3e3f4i_ad:Mn-O-Sr, expected SrMn2O14 to be Sr3Mn4O12" +mp-19070,Sr3Mn2O7,-7.4332446383,-2.5983003114,0.0280495224,0.0280495224,GGA+U,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Mn-O-Sr,12.0,"Invalid WP multiplicities - A2B7C3_tI24_139_e_a2eg_be:Mn-O-Sr, expected Sr3Mn2O9 to be Sr3Mn2O7" +mp-1311459,Sr5Mn5O13,-7.7089294863,-2.553951357,0.0042520769,0.0042520769,GGA+U,Pm,A5B13C5_mP23_6_5a_8a5b_5b:Mn-O-Sr,46.0,A5B13C5_tP23_83_bk_aj2k_cj:Mn-O-Sr +mp-554474,Sr7Mn4O13,-7.3939194931,-2.6946916353,0.0139191928,0.0139191928,GGA+U,P2_1/c,A4B13C7_mP48_14_2e_a6e_c3e:Mn-O-Sr,48.0,"Invalid WP multiplicities - A4B13C7_mP48_14_4e_2a21e_2c6e:Mn-O-Sr, expected Sr7Mn4O22 to be Sr7Mn4O13" +mp-1246972,Sr32Mn32O79,-7.5393107717,-2.3782150512,0.1933469282,0.1933469282,GGA+U,Amm2,A32B79C32_oC286_38_8c4f_2ab2c5d5e13f_2a2b6cde3f:Mn-O-Sr,143.0,"Invalid WP multiplicities - A32B79C32_oC286_38_16c16f_2ab2c10d10e42f_2a2b10c2d2e10f:Mn-O-Sr, expected Sr72Mn96O215 to be Sr32Mn32O79" +mp-1218691,Sr4Mn5O15,-7.4688191871,-2.1868033145,0.1228936864,0.1228936864,GGA+U,P-1,A5B15C4_aP48_2_be4i_15i_4i:Mn-O-Sr,48.0,"Invalid WP multiplicities - A5B15C4_aP48_2_be5i_30i_8i:Mn-O-Sr, expected Sr4Mn3O15 to be Sr4Mn5O15" +mp-771325,Dy2Cu2O5,-7.2838244922,-2.6009988726,0.0463286289,0.0463286289,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Cu-Dy-O,36.0,A2B2C5_oP36_33_4a_4a_10a:Cu-Dy-O +mp-771141,Dy2Cu2O5,-7.2926081572,-2.6097825376,0.0375449639,0.0375449639,GGA,Pnma,A2B2C5_oP36_62_2c_d_c2d:Cu-Dy-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_5c_d_2c7d:Cu-Dy-O, expected Dy2Cu5O16 to be Dy2Cu2O5" +mp-1183771,DyCuO3,-6.945122254,-2.2359103253,0.2257026036,0.2257026036,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Dy-O,5.0,ABC3_cP5_221_b_a_c:Cu-Dy-O +mp-15481,DyCu(MoO4)2,-8.1109170939,-2.2800168089,0.0133261534,0.0133261534,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-Dy-Mo-O,96.0,"Invalid WP multiplicities - ABC2D8_oP96_61_c_c_3c_11c:Cu-Dy-Mo-O, expected DyCuMo3O11 to be DyCu(MoO4)2" +mp-9420,Dy(CuO2)2,-6.7402818193,-2.0842882443,0.0,-0.0846161417,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Dy-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Dy-O +mp-752673,Dy2CuO4,-7.83910521,-3.1106001821,0.0235548657,0.0235548657,GGA,Cmce,AB2C4_oC28_64_a_d_ef:Cu-Dy-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_64_a_d_2e3f:Cu-Dy-O, expected Dy2CuO10 to be Dy2CuO4" +mp-1178367,Dy2CuO4,-7.8226818786,-3.0941768507,0.0399781971,0.0399781971,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-Dy-O,7.0,"Invalid WP multiplicities - AB2C4_tI14_139_a_e_2c2d:Cu-Dy-O, expected Dy2CuO8 to be Dy2CuO4" +mp-1183025,Ag3AsS3,-3.7866200321,-0.1343148871,0.1810491243,0.1699379074,GGA,Cc,A3BC3_mC28_9_3a_a_3a:Ag-As-S,,"Invalid WP multiplicities - A3BC3_mC28_9_4a_a_4a:Ag-As-S, expected Ag4AsS4 to be Ag3AsS3" +mp-561620,Ag3AsS3,-3.9676691564,-0.3153640113,0.0,-0.0111112169,GGA,C2/c,A3BC3_mC56_15_3f_f_3f:Ag-As-S,28.0,"Invalid WP multiplicities - A3BC3_mC56_15_9f_f_8f:Ag-As-S, expected Ag9AsS8 to be Ag3AsS3" +mp-4431,Ag3AsS3,-3.9657680271,-0.3134628821,0.0019011293,-0.0092100876,GGA,R3c,A3BC3_hR42_161_b_a_b:Ag-As-S,14.0,A3BC3_hR42_161_b_a_b:Ag-As-S +mp-555843,Ag3AsS3,-3.9468002779,-0.2944951328,0.0208688786,0.0097576617,GGA,R3c,A3BC3_hR42_161_b_a_b:Ag-As-S,14.0,A3BC3_hR42_161_b_a_b:Ag-As-S +mp-1197575,Ag2AsS2,-4.0141927845,-0.2947667554,0.0030302076,0.0030302076,GGA,Pc,A2BC2_mP40_7_8a_4a_8a:Ag-As-S,40.0,A2BC2_mP40_7_8a_4a_8a:Ag-As-S +mp-15077,Ag7AsS6,-3.8033018141,-0.281465412,0.0055436541,0.0055436541,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Ag-As-S,56.0,"Invalid WP multiplicities - A7BC6_cP56_198_a2b_a_6ab:Ag-As-S, expected Ag7AsS9 to be Ag7AsS6" +mp-9538,Ag3AsS4,-4.0444400006,-0.3316167653,0.0,-0.0340575481,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Ag-As-S,16.0,"Invalid WP multiplicities - A3BC4_oP16_31_2a2b_a_4ab:Ag-As-S, expected Ag6AsS6 to be Ag3AsS4" +mp-2218858,MgAg4(AsS)4,-3.9360624131,-0.2350795553,0.2007951537,0.2007951537,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:Ag-As-Mg-S,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:Ag-As-Mg-S +mp-2226432,MgAg4(AsS)4,-3.9260642423,-0.2250813846,0.2107933244,0.2107933244,GGA,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:Ag-As-Mg-S,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:Ag-As-Mg-S +mp-984714,AgAsS,-4.1209460075,-0.2449045824,0.0119026013,0.0119026013,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-As-S,12.0,ABC_oP12_62_c_c_c:Ag-As-S +mp-542609,AgAsS2,-4.2938996469,-0.3527561114,0.0101251542,0.0101251542,GGA,C2/c,ABC2_mC96_15_2e2f_3f_6f:Ag-As-S,48.0,ABC2_mC96_15_2e2f_3f_6f:Ag-As-S +mp-13740,AgAsS2,-4.3029368254,-0.3617932899,0.0010879756,0.0010879756,GGA,R-3,ABC2_hR72_148_f_f_2f:Ag-As-S,24.0,ABC2_hR72_148_f_f_2f:Ag-As-S +mp-1203279,Pr4InSbS9,-6.0301847545,-1.8146943017,0.0,-0.0102283953,GGA,P4_32_12,AB4C9D_tP120_96_b_4b_2a8b_b:In-Pr-S-Sb,120.0,AB4C9D_tP120_96_b_4b_2a8b_b:In-Pr-S-Sb +mp-21365,InSbS3,-4.5580101445,-0.7000032304,0.0,-0.0070451904,GGA,Pnma,AB3C_oP20_62_c_3c_c:In-S-Sb,20.0,AB3C_oP20_62_c_3c_c:In-S-Sb +mp-554935,Pr8Sb2S15,-6.3404767299,-1.998396869,0.0,-0.0036021846,GGA,I4_1cd,A8B15C2_tI200_110_4b_a7b_b:Pr-S-Sb,100.0,"Invalid WP multiplicities - A8B15C2_tI200_110_24b_4a49b_b:Pr-S-Sb, expected Pr24SbS51 to be Pr8Sb2S15" +mp-1226531,CeSiBIr3,-8.1482237367,-0.7227068207,0.083900625,0.083900625,GGA,P-6m2,ABC3D_hP6_187_a_c_k_e:B-Ce-Ir-Si,6.0,ABC3D_hP6_187_a_c_k_e:B-Ce-Ir-Si +mp-1190481,Ce(BIr)4,-8.1178499572,-0.5618062952,0.0,-0.0565199428,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Ce-Ir,18.0,A4BC4_tP18_86_g_a_g:B-Ce-Ir +mp-30898,Ce2B2Ir5,-8.471987907799999,-0.7589731576000001,0.0,-0.0452331278,GGA,R-3m,A2B2C5_hR54_166_2c_2c_adh:B-Ce-Ir,18.0,"Invalid WP multiplicities - A2B2C5_hR54_166_4c_4c_ad2h:B-Ce-Ir, expected CeBIr2 to be Ce2B2Ir5" +mp-8680,Ce(BIr)2,-8.111359236,-0.7176110247,0.0,-0.0173552398,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Ce-Ir,10.0,A2BC2_oF40_70_e_a_f:B-Ce-Ir +mp-11593,CeB2Ir3,-8.3071334667,-0.6726042606,0.0,-0.0122145342,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ce-Ir,6.0,A2BC3_hP6_191_c_a_g:B-Ce-Ir +mp-1112922,Cs2SbAuI6,-2.820001293,-1.0166126846,0.0573351865,0.0573351865,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Sb +mp-1046306,Ca4Sn5(TeO6)3,-6.3422487507,-2.1242296414,0.2086841636,0.2086841636,GGA,C2/c,A4B18C5D3_mC120_15_2f_9f_e2f_af:Ca-O-Sn-Te,60.0,"Invalid WP multiplicities - A4B18C5D3_mC120_15_6f_35f_e4f_c2f:Ca-O-Sn-Te, expected Ca12Sn9(TeO14)5 to be Ca4Sn5(TeO6)3" +mp-2647061,Sn(TeO2)2,-5.1572171743,-0.8596545333000001,0.6871145262,0.6871145262,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:O-Sn-Te,7.0,A4BC2_tI14_139_ce_a_e:O-Sn-Te +mp-1046192,Sn5(TeO6)3,-6.2133553777,-1.6549640793,0.149917946,0.149917946,GGA,C2/c,A18B5C3_mC104_15_9f_e2f_af:O-Sn-Te,52.0,"Invalid WP multiplicities - A18B5C3_mC104_15_35f_e4f_c2f:O-Sn-Te, expected Sn9(TeO14)5 to be Sn5(TeO6)3" +mp-12231,SnTe3O8,-6.0704306892,-1.6526807538,0.0,-0.0039350697,GGA,Ia-3,A8BC3_cI96_206_ce_a_d:O-Sn-Te,48.0,A8BC3_cI96_206_ce_a_d:O-Sn-Te +mp-1219513,Sb3AsS6,-4.689454948,-0.5029728154,0.0177072798,0.0177072798,GGA,Pmc2_1,AB6C3_oP20_26_a_3a3b_a2b:As-S-Sb,20.0,AB6C3_oP20_26_a_3a3b_a2b:As-S-Sb +mp-1225809,Cu6SbAs,-4.0845393725,0.0883805856,0.1036625912,0.1036625912,GGA,Ama2,AB6C_oC64_40_2b_4b4c_ab:As-Cu-Sb,32.0,"Invalid WP multiplicities - AB6C_oC64_40_2b_8b16c_2ab:As-Cu-Sb, expected Cu40Sb3As2 to be Cu6SbAs" +mp-1209066,Sb2AsS2,-4.591038431,-0.3530343073,0.018359259,0.018359259,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:As-S-Sb,10.0,AB2C2_mC20_12_i_2i_2i:As-S-Sb +mp-1225921,Cu12Sb3AsS16,-4.6000774166,-0.4619586655,0.0064755064,0.0064755064,GGA,Amm2,AB12C16D3_oC64_38_a_abc2f_4cdef_bc:As-Cu-S-Sb,32.0,"Invalid WP multiplicities - AB12C16D3_oC64_38_a_ab2c5f_8c2d2e4f_b2c:As-Cu-S-Sb, expected Cu26Sb5AsS40 to be Cu12Sb3AsS16" +mp-1225890,Cu9Sb(AsS6)2,-4.6220499383,-0.4563209182,0.0,-7.7375e-06,GGA,I-42m,A2B9C12D_tI48_121_e_adeh_3i_b:As-Cu-S-Sb,24.0,"Invalid WP multiplicities - A2B9C12D_tI48_121_e_a2de2h_12i_b:As-Cu-S-Sb, expected Cu15Sb(AsS24)2 to be Cu9Sb(AsS6)2" +mp-1111641,K2NaGaBr6,-3.243523993,-1.6545650740000002,0.11452938,0.11452938,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Na +mp-1111770,K2RbAsCl6,-3.63750135,-1.7423343168,0.0809499413,0.0809499413,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Rb +mp-1114043,KRb2AsCl6,-3.687312179,-1.8051316333,0.0154802792,0.0154802792,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-K-Rb +mp-1097274,K2RbAs,-1.3261041975,0.6390083954,0.9364905721,0.9364905721,GGA,Immm,AB2C_oI8_71_a_e_b:As-K-Rb,4.0,AB2C_oI8_71_a_e_b:As-K-Rb +mp-1219445,Sc4TaFe19P12,-8.0798472222,-0.7721336911000001,0.0,-0.0617139269,GGA,Pm,A19B12C4D_mP36_6_9a10b_6a6b_2a2b_a:Fe-P-Sc-Ta,36.0,A19B12C4D_mP36_6_9a10b_6a6b_2a2b_a:Fe-P-Sc-Ta +mp-973089,ScTaFe2,-8.983210385,-0.2006380962,0.0048190938,0.0048190938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Sc-Ta,4.0,A2BC_cF16_225_c_a_b:Fe-Sc-Ta +mp-21336,TaFeP,-9.4200877192,-0.8397206036,0.0,-0.2052887327,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-P-Ta,12.0,ABC_oP12_62_c_c_c:Fe-P-Ta +mp-510133,Sc(Fe2P)2,-7.9954335679,-0.7041251452,0.0,-0.0754754339,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-P-Sc,14.0,A4B2C_tP14_136_i_f_a:Fe-P-Sc +mp-22444,Ta4FeP,-10.6258955933,-0.4068232206,0.0551845182,0.0551845182,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Fe-P-Ta,12.0,ABC4_tP12_124_a_c_m:Fe-P-Ta +mp-1218979,SmZnAgP2,-4.60201668,-0.6745185277,0.0433964935,0.0433964935,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Ag-P-Sm-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Ag-P-Sm-Zn +mp-987399,Sc6ReO12,-8.3321407047,-2.5532140547,1.0303543756,1.0303543756,GGA,P-1,A12BC6_aP19_2_6i_a_3i:O-Re-Sc,19.0,"Invalid WP multiplicities - A12BC6_aP19_2_12i_a_6i:O-Re-Sc, expected Sc12ReO24 to be Sc6ReO12" +mp-13191,Sc6ReO12,-9.3251889316,-3.5462622816,0.0373061488,0.0373061488,GGA,R-3,A12BC6_hR57_148_2f_a_f:O-Re-Sc,19.0,A12BC6_hR57_148_2f_a_f:O-Re-Sc +mp-558610,Sc(ReO3)2,-9.287309355,-2.5204587169,0.0064057191,0.0064057191,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:O-Re-Sc,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_10e_e_a:O-Re-Sc, expected Sc(ReO10)2 to be Sc(ReO3)2" +mp-1205485,Sc2CrReO6,-8.63346507,-2.1892005568,0.8146532341,0.8146532341,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Re-Sc,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Re-Sc +mp-18961,ScCrO3,-9.296693205,-3.1315766633,0.0368469179,0.0368469179,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Sc,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Sc +mp-754160,ScCrO4,-8.5839056025,-2.6218603658,0.0708562668,0.0708562668,GGA+U,Cmcm,AB4C_oC24_63_c_fg_a:Cr-O-Sc,24.0,AB4C_oC24_63_c_fg_a:Cr-O-Sc +mp-1101382,ScCrO4,-8.5885614775,-2.6265162408,0.0662003918,0.0662003918,GGA+U,Imma,AB4C_oI24_74_e_hi_e:Cr-O-Sc,12.0,"Invalid WP multiplicities - AB4C_oI24_74_e_2h3i_e:Cr-O-Sc, expected ScCrO10 to be ScCrO4" +mp-2227063,YbMg(FeO2)2,-7.0546761637,-2.0713404644,0.3408346637,0.3408346637,GGA+U,R-3m,A2BC4D_hR24_166_c_a_2c_b:Fe-Mg-O-Yb,,A2BC4D_hR24_166_c_a_2c_b:Fe-Mg-O-Yb +mp-19317,Yb(FeO2)2,-7.6794521829,-2.2128228193,0.0443160286,0.0443160286,GGA+U,R-3m,A2B4C_hR21_166_c_2c_a:Fe-O-Yb,,A2B4C_hR21_166_c_2c_a:Fe-O-Yb +mp-972160,YbMgO3,-5.951151506,-2.3551606132,0.3185951642,0.3185951642,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Yb,,AB3C_cP5_221_b_c_a:Mg-O-Yb +mp-19793,YbFeO3,-7.3898156325,-2.4198765077,0.0,-0.0891495279,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Yb,,AB3C_oP20_62_a_cd_c:Fe-O-Yb +mp-19064,Yb2Fe3O7,-7.5156081358,-2.2559330384000003,0.0690131677,0.0690131677,GGA+U,P6_3/mmc,A3B7C2_hP24_194_bf_ce2f_f:Fe-O-Yb,,A3B7C2_hP24_194_bf_ce2f_f:Fe-O-Yb +mp-562055,Yb3Fe5O12,-7.5037986671,-2.1873388959,0.0545321673,0.0545321673,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Yb,,"Invalid WP multiplicities - A5B12C3_cI160_230_6a6d_h_c:Fe-O-Yb, expected Yb(Fe5O2)2 to be Yb3Fe5O12" +mp-2219388,Lu2MgCr2O8,-8.2076970715,-2.8598674008,0.1793758252,0.1793758252,GGA+U,P1,A2B2CD8_aP13_1_2a_2a_a_8a:Cr-Lu-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_c_c_a_8c:Cr-Lu-Mg-O, expected Lu2MgCr2O16 to be Lu2MgCr2O8" +mp-2219418,Lu2MgCr2O8,-8.1915080246,-2.8436783538,0.1955648721,0.1955648721,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Lu-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_8c:Cr-Lu-Mg-O, expected Lu2MgCr2O16 to be Lu2MgCr2O8" +mp-1211553,LuCrO5,-7.8894469766,-2.3312410414,0.0576430964,0.0576430964,GGA+U,P2_1/c,ABC5_mP56_14_2e_2e_10e:Cr-Lu-O,56.0,ABC5_mP56_14_2e_2e_10e:Cr-Lu-O +mp-755471,LuCrO3,-9.0573971395,-3.2545843148,0.0,-0.0084878819,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Cr-Lu-O, expected LuCrO7 to be LuCrO3" +mp-19360,LuCrO4,-8.4471569667,-2.7870314942,0.0,-0.0295874851,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Lu-O,12.0,ABC4_tI24_141_a_b_h:Cr-Lu-O +mp-1212063,LuCr2O2,-7.8905377215,-1.146453145,1.3133555334,1.3133555334,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Lu-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Lu-O +mp-22334,FeGeO3,-7.504117007,-1.9174939673,0.0,-0.0116775273,GGA+U,C2/c,ABC3_mC40_15_2e_f_3f:Fe-Ge-O,20.0,ABC3_mC40_15_2e_f_3f:Fe-Ge-O +mp-3051,Mg2GeO4,-6.6743733457,-2.73003866,0.0,-0.0076888552,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mg-O,28.0,AB2C4_oP28_62_c_ac_2cd:Ge-Mg-O +mp-3904,Mg2GeO4,-6.6740282257,-2.72969354,0.00034512,-0.0073437352,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ge-Mg-O,14.0,AB2C4_cF56_227_a_d_e:Ge-Mg-O +mp-651997,Fe3(GeO4)2,-7.5775017781,-1.8675303142,0.0063548144,0.0063548144,GGA+U,P2_1/c,A3B2C8_mP52_14_3e_2e_8e:Fe-Ge-O,52.0,"Invalid WP multiplicities - A3B2C8_mP52_14_10e_2e_27e:Fe-Ge-O, expected Fe10Ge2O27 to be Fe3(GeO4)2" +mp-1044639,Fe(GeO3)2,-6.9984150261,-1.7321695608,0.1275152393,0.1275152393,GGA+U,P2_1/c,AB2C6_mP36_14_e_2e_6e:Fe-Ge-O,36.0,AB2C6_mP36_14_e_2e_6e:Fe-Ge-O +mp-1043501,Fe(GeO3)2,-7.00263,-1.7363845347,0.1233002654,0.1233002654,GGA+U,C2/c,AB2C6_mC36_15_e_f_3f:Fe-Ge-O,18.0,AB2C6_mC36_15_e_f_3f:Fe-Ge-O +mp-27295,Mg14Ge5O24,-6.6170092490000005,-2.7974839223,0.0,-0.0071658876,GGA,Pbam,A5B14C24_oP86_55_bgh_acgh2i_3g3h3i:Ge-Mg-O,86.0,A5B14C24_oP86_55_bgh_acgh2i_3g3h3i:Ge-Mg-O +mp-1185764,Mg2Ge2O5,-6.0397952744,-1.9086775671,0.5756771631000001,0.5756771631000001,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Ge-Mg-O,9.0,A2B2C5_tP9_123_h_ab_ci:Ge-Mg-O +mp-650055,Fe15(Ge2O9)4,-7.6271365956,-1.8285716025,0.0245641091,0.0245641091,GGA+U,P-1,A15B8C36_aP59_2_a7i_4i_18i:Fe-Ge-O,59.0,"Invalid WP multiplicities - A15B8C36_aP59_2_a14i_6i_33i:Fe-Ge-O, expected Fe29(Ge2O11)6 to be Fe15(Ge2O9)4" +mp-20673,Mg(FeGe)6,-6.3133223415,-0.1472781538,0.0,-0.0095232798,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Mg,13.0,A6B6C_hP13_191_i_cde_a:Fe-Ge-Mg +mp-1043530,MgFe(GeO3)2,-7.1313536425,-2.2317047187,0.007447991,0.007447991,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Fe-Ge-Mg-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Fe-Ge-Mg-O +mp-1043493,MgFe(GeO3)2,-7.1354758033,-2.2358268795,0.0033258303,0.0033258303,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Fe-Ge-Mg-O,40.0,AB2CD6_mC40_15_e_f_e_3f:Fe-Ge-Mg-O +mp-1213223,Fe5(GeO4)3,-7.6242459057,-1.8452731982,0.0198109595,0.0198109595,GGA+U,I-42d,A5B3C12_tI80_122_acd_bd_3e:Fe-Ge-O,40.0,A5B3C12_tI80_122_acd_bd_3e:Fe-Ge-O +mp-22421,Fe2GeO4,-7.73917519,-1.8320573157,0.0,-0.0389457579,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Ge-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Ge-O +mp-1324648,Mg3Fe2(GeO4)3,-7.0328459026,-2.2843343691,0.0632379024,0.0632379024,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Mg-O +mp-4819,MgGeO3,-6.77348626,-2.5608114523000003,0.0,-0.0264080713,GGA,C2/c,ABC3_mC40_15_f_2e_3f:Ge-Mg-O,20.0,ABC3_mC40_15_f_2e_3f:Ge-Mg-O +mp-4575,MgGeO3,-6.7723644867,-2.559689679,0.0011217733,-0.0252862981,GGA,Pbca,ABC3_oP80_61_2c_2c_6c:Ge-Mg-O,80.0,"Invalid WP multiplicities - ABC3_oP80_61_2c_2c_9c:Ge-Mg-O, expected Mg2Ge2O9 to be MgGeO3" +mp-3047,MgGeO3,-6.616796403,-2.4041215953,0.156689857,0.1302817857,GGA,Cmcm,ABC3_oC20_63_a_c_cf:Ge-Mg-O,10.0,ABC3_oC20_63_a_c_cf:Ge-Mg-O +mp-3759,MgGeO3,-6.753412117,-2.5407373092,0.020074143,-0.0063339283,GGA,R-3,ABC3_hR30_148_c_c_f:Ge-Mg-O,10.0,ABC3_hR30_148_c_c_f:Ge-Mg-O +mp-1016827,MgGeO3,-6.26025941,-2.0475846023,0.51322685,0.4868187787,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Mg-O,5.0,ABC3_cP5_221_b_a_c:Ge-Mg-O +mp-1113212,Cs2TaAuF6,-5.646932753,-2.8077989351,0.045889704,0.045889704,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ta +mp-1205893,La4RuI5,-5.06353341,-1.425007139,0.0091067945,0.0091067945,GGA,C2/m,A5B4C_mC20_12_a2i_2i_c:I-La-Ru,,A5B4C_mC20_12_a2i_2i_d:I-La-Ru +mp-1205711,La2Ru2I,-6.67933699,-0.700499862,0.0,-0.0067446925,GGA,P6_3/mmc,AB2C2_hP10_194_c_e_f:I-La-Ru,10.0,AB2C2_hP10_194_c_e_f:I-La-Ru +mp-1188821,Cs3LaI6,-3.475719252,-1.8294780199,0.0,-0.025437243,GGA,P4_2/m,A3B6C_tP20_84_aj_jk_c:Cs-I-La,20.0,A3B6C_tP20_84_aj_jk_c:Cs-I-La +mp-1213735,Cs2La10Ru2I17,-4.6341562597,-1.5778043621,0.0,-0.0120915096,GGA,C2/m,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-La-Ru,31.0,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-La-Ru +mp-29824,La3RuI3,-5.386487685,-1.3146986986,0.0,-0.056164066,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:I-La-Ru,14.0,A3B3C_mP14_11_3e_3e_e:I-La-Ru +mp-1110764,Rb2NdCuI6,-3.352640476,-1.3857784412,0.095015988,0.095015988,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-I-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-I-Nd-Rb +mp-570360,RbNd2I5,-3.7244641531,-1.4890065672,0.1364843141,0.1364843141,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:I-Nd-Rb,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_16e_6e_e:I-Nd-Rb, expected Rb(Nd3I8)2 to be RbNd2I5" +mp-1209575,Rb2NdI5,-3.5208999044,-1.7588939884,0.0,-0.0341142531,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:I-Nd-Rb,32.0,A5BC2_oP32_62_3cd_c_d:I-Nd-Rb +mp-1112785,Cs2KDyCl6,-4.380857208,-2.5209361589,0.0,-0.0074454743,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Dy-K +mp-1233779,Sr2CaO12,-5.5115870687,-1.1952636472,0.1287402392,0.1287402392,GGA,P1,AB12C2_aP15_1_a_12a_2a:Ca-O-Sr,15.0,AB12C2_aP15_1_a_12a_2a:Ca-O-Sr +mp-978842,SrCaO3,-5.886164708,-2.1791328146,0.467312726,0.467312726,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-O-Sr,5.0,AB3C_cP5_221_b_c_a:Ca-O-Sr +mp-1079940,Sr3CaO4,-6.4587597625,-3.1011553769,0.0338037525,0.0338037525,GGA,Pm-3m,AB4C3_cP8_221_a_bd_c:Ca-O-Sr,8.0,AB4C3_cP8_221_a_bd_c:Ca-O-Sr +mp-1183534,CaScO3,-7.706464766,-3.0708377423,0.2404754345,0.2404754345,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Sc,5.0,AB3C_cP5_221_a_c_b:Ca-O-Sc +mp-1017988,SrCaO2,-6.540449035,-3.143331346,0.04885992,0.04885992,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ca-O-Sr,4.0,AB2C_tP4_123_a_bc_d:Ca-O-Sr +mp-4056,CaSc2O4,-8.706885665,-3.7844152457,0.0,-0.0043022223,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Sc,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-Sc +mp-978844,SrCa3O4,-6.6459007325,-3.2092697402,0.0401536625,0.0401536625,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Ca-O-Sr,8.0,A3B4C_cP8_221_c_bd_a:Ca-O-Sr +mp-1218492,SrCa2Sc6O12,-8.6488647133,-3.741446981,0.0278154115,0.0278154115,GGA,P-3,A2B12C6D_hP21_147_d_2g_g_a:Ca-O-Sc-Sr,21.0,A2B12C6D_hP21_147_d_2g_g_a:Ca-O-Sc-Sr +mp-561947,CsHgF3,-3.638687946,-2.2519840181,0.0,-0.028129885,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Hg,5.0,AB3C_cP5_221_a_c_b:Cs-F-Hg +mp-8963,Cs2HgF4,-3.8369086443,-2.4454227901,0.0,-0.02469591,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-F-Hg,7.0,A2B4C_tI14_139_e_ce_a:Cs-F-Hg +mp-1112640,Cs2HgAuF6,-3.737180086,-2.0534559946,0.0906531817,0.0906531817,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Hg +mp-29170,Hg(AuF4)2,-3.4970218082,-1.4839967077,0.0,-0.0580339342,GGA,P4/mcc,A2B8C_tP22_124_e_n_a:Au-F-Hg,22.0,A2B8C_tP22_124_e_n_a:Au-F-Hg +mp-1204264,In12Ga4Ir2O15,-5.8051546738,-1.6533429199,0.0,-0.0189663926,GGA,Pnn2,A4B12C2D15_oP66_34_2c_ab5c_c_a7c:Ga-In-Ir-O,66.0,A4B12C2D15_oP66_34_2c_ab5c_c_a7c:Ga-In-Ir-O +mp-31215,AgPdF6,-3.9762661694,-1.5411022171000002,0.0,-0.0642507938,GGA,P-1,AB6C_aP16_2_be_6i_i:Ag-F-Pd,16.0,AB6C_aP16_2_be_6i_i:Ag-F-Pd +mp-1111321,Na2AgPdF6,-4.2038683,-1.9912320795,0.1357713903,0.1357713903,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Pd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Pd +mp-1096708,NaAgPd2,-1.933505435,1.6952057942,1.7364632044,1.7364632044,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Na-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Na-Pd +mp-1093746,NaAg2Pd,-1.638865125,1.4030146525,1.4781350413,1.4781350413,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Na-Pd,4.0,A2BC_oI8_71_e_a_b:Ag-Na-Pd +mp-772610,Ho2(SeO4)3,-6.6516657838,-2.0038530363,0.0861456929,-0.0679720998,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Ho-O-Se,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_23f_e2f:Ho-O-Se, expected Ho2Se5O46 to be Ho2(SeO4)3" +mp-770431,Ho2(SeO4)3,-6.7364517753,-2.0886390278,0.0013597015,-0.1527580913,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Ho-O-Se,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c2d:Ho-O-Se, expected Ho(SeO7)3 to be Ho2(SeO4)3" +mp-771136,Ho2(SeO4)3,-6.7378114768,-2.0899987292,0.0,-0.1541177927,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Ho-O-Se,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_11f_e:Ho-O-Se, expected Ho2(SeO22)3 to be Ho2(SeO4)3" +mp-769014,Ho2(SeO3)3,-6.9344804639,-2.3507125658,0.0,-0.1673496212,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:Ho-O-Se,28.0,"Invalid WP multiplicities - A2B9C3_aP28_2_3i_17i_5i:Ho-O-Se, expected Ho3Se5O17 to be Ho2(SeO3)3" +mp-768942,Ho2(SeO3)3,-6.8568503166,-2.2730824184,0.0776301473,-0.0897194738,GGA,Pnma,A2B9C3_oP56_62_d_c4d_cd:Ho-O-Se,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_4c13d_3c2d:Ho-O-Se, expected Ho2Se7O30 to be Ho2(SeO3)3" +mp-768920,Ho2(SeO3)3,-6.9129015157,-2.3291336176,0.0215789482,-0.1457706729,GGA,P6_3/m,A2B9C3_hP28_176_f_hi_h:Ho-O-Se,28.0,"Invalid WP multiplicities - A2B9C3_hP28_176_f_3h4i_h:Ho-O-Se, expected Ho2(SeO11)3 to be Ho2(SeO3)3" +mp-1213090,Ho2Se3O20,-5.523486722,-0.7800336661,0.6411654698,0.6411654698,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Ho-O-Se,50.0,A2B20C3_mC100_15_f_10f_ef:Ho-O-Se +mp-18584,Ho2SiSeO4,-8.1403193413,-3.4062190797,0.0078077486,0.0078077486,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Ho-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Ho-O-Se-Si +mp-13974,Ho2SeO2,-8.01235884,-3.501537512,0.0,-0.0912374732,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ho-O-Se,5.0,A2B2C_hP5_164_d_d_a:Ho-O-Se +mp-14785,Ba(Cu2P)4,-4.6218038223,-0.2859701049,0.0,-0.0327559157,GGA,I4/m,AB8C4_tI26_87_a_2h_h:Ba-Cu-P,13.0,"Invalid WP multiplicities - AB8C4_tI26_87_a_5h_h:Ba-Cu-P, expected Ba(Cu5P)4 to be Ba(Cu2P)4" +mp-568474,Ba(CuP2)2,-5.0045519807,-0.4658950798,0.0,-0.0018269871,GGA,Fddd,AB2C4_oF56_70_a_e_h:Ba-Cu-P,14.0,AB2C4_oF56_70_a_e_h:Ba-Cu-P +mp-1228373,Ba3Cu17AgP6,-4.4131697274,-0.311102718,0.0,-0.011548834,GGA,C2/m,AB3C17D6_mC54_12_b_ci_a2i3j_3i:Ag-Ba-Cu-P,27.0,"Invalid WP multiplicities - AB3C17D6_mC54_12_b_ci_a3i12j_5i:Ag-Ba-Cu-P, expected Ba3Cu55AgP10 to be Ba3Cu17AgP6" +mp-28661,Ba2Cu3P4,-4.7919340456,-0.5931807215,0.0,-0.021077726,GGA,Ibam,A2B3C4_oI36_72_j_af_2j:Ba-Cu-P,18.0,A2B3C4_oI36_72_j_af_2j:Ba-Cu-P +mp-1247881,Ba(Cu3P)2,-1.2879127089,2.8610672881,3.1606211722,3.1606211722,GGA,P4/mmm,AB6C2_tP9_123_b_aci_h:Ba-Cu-P,9.0,"Invalid WP multiplicities - AB6C2_tP9_123_b_ac3i_h:Ba-Cu-P, expected Ba(Cu7P)2 to be Ba(Cu3P)2" +mp-909302,Ba(Cu5P2)2,-4.5241635387,-0.2198800942,0.0279606633,0.0279606633,GGA,Cm,AB10C4_mC60_8_2a_20a_8a:Ba-Cu-P,30.0,"Invalid WP multiplicities - AB10C4_mC60_12_i_20i_8i:Ba-Cu-P, expected Ba(Cu5P2)4 to be Ba(Cu5P2)2" +mp-618788,Ba(Cu5P2)2,-4.519195081,-0.2149116366,0.032929121,0.032929121,GGA,C2/m,AB10C4_mC60_12_i_10i_4i:Ba-Cu-P,30.0,"Invalid WP multiplicities - AB10C4_mC60_12_i_20i_8i:Ba-Cu-P, expected Ba(Cu5P2)4 to be Ba(Cu5P2)2" +mp-16254,BaCuP,-4.53888529,-0.7283905844,0.0,-0.0720665998,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Cu-P,6.0,ABC_hP6_194_a_c_d:Ba-Cu-P +mp-1215132,Ba(CuP)2,-4.0400888375,0.1487098212,0.684027291,0.684027291,GGA,Fddd,AB2C2_oF80_70_c_h_h:Ba-Cu-P,20.0,AB2C2_oF80_70_c_h_h:Ba-Cu-P +mp-1197658,Ba4Cu8P15,-4.9849096319,-0.4786470126,0.0,-0.005754402,GGA,Pbcn,A4B8C15_oP216_60_ac3d_8d_15d:Ba-Cu-P,216.0,A4B8C15_oP216_60_ac3d_8d_15d:Ba-Cu-P +mp-9899,BaAgP,-4.1150098567,-0.72673204,0.0,-0.0704080553,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Ba-P,6.0,ABC_hP6_194_c_a_d:Ag-Ba-P +mp-1214413,BaCu5AgP2,-4.3046855411,-0.296444507,0.0123362338,0.0123362338,GGA,P4/mmm,ABC5D2_tP9_123_a_b_ci_h:Ag-Ba-Cu-P,9.0,ABC5D2_tP9_123_a_b_ci_h:Ag-Ba-Cu-P +mp-1221071,Nd4Cr3Fe25B2,-8.0388192056,-0.0052590311,0.0592137608,0.0592137608,GGA,Cmm2,A2B3C25D4_oC136_35_de_2a2bd_2c3d4e8f_2d2e:B-Cr-Fe-Nd,68.0,"Invalid WP multiplicities - A2B3C25D4_oC136_35_de_2a2bd_4c3d4e16f_2d2e:B-Cr-Fe-Nd, expected Nd4Cr3Fe43B2 to be Nd4Cr3Fe25B2" +mp-1226213,CrFe3B2,-8.3533361317,-0.2830203581,0.0472149829,0.0472149829,GGA,Fmm2,A2BC3_oF24_42_b_a_ac:B-Cr-Fe,6.0,A2BC3_oF24_42_b_a_ac:B-Cr-Fe +mp-1220450,Nd(CrFe5)2,-8.3207478138,0.0465179148,0.0465179148,0.0465179148,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Nd,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Nd +mp-1190818,NdCrB4,-7.3795736571,-0.5231133261,0.0095854343,0.0095854343,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Nd,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Nd +mp-1078775,Nd(CrB3)2,-7.66008819,-0.5322445236000001,0.0150419589,0.0150419589,GGA,Immm,A6B2C_oI18_71_en_g_c:B-Cr-Nd,9.0,A6B2C_oI18_71_en_g_c:B-Cr-Nd +mp-1226337,Cr9FeB6,-8.8678487737,-0.4038613322,0.0071527162,0.0071527162,GGA,I4/m,A6B9C_tI32_87_eh_ai_b:B-Cr-Fe,16.0,A6B9C_tI32_87_eh_ai_b:B-Cr-Fe +mp-1226310,CrFeB2,-8.284522645,-0.4140595896,0.0404467719,0.0404467719,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Cr-Fe,8.0,A2BC_oP8_26_ab_a_b:B-Cr-Fe +mp-1113808,Rb2MnCuF6,-5.334970475,-2.6658540838,0.010917834,0.010917834,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Mn-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Mn-Rb +mp-1105239,DyTl(PSe3)2,-4.787509674,-0.9103592874,0.0,-0.0443919213,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:Dy-P-Se-Tl,20.0,AB2C6D_mP20_4_a_2a_6a_a:Dy-P-Se-Tl +mp-568062,DyTlSe2,-5.108955285,-1.6186420495,0.0,-0.108814234,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Dy-Se-Tl +mp-865181,EuGeO3,-8.551858304,-2.6078391462,0.0,-0.0319056309,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Ge-O,5.0,ABC3_cP5_221_a_b_c:Eu-Ge-O +mp-554874,CuGeO3,-6.2437126755,-1.5312525438,0.0928725298,0.0928725298,GGA,P2_1/c,ABC3_mP20_14_ac_e_3e:Cu-Ge-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_ac_e_9e:Cu-Ge-O, expected CuGeO9 to be CuGeO3" +mp-21344,CuGeO3,-6.304190812,-1.5917306802,0.0323943933,0.0323943933,GGA,Pmma,ABC3_oP10_51_a_f_ej:Cu-Ge-O,10.0,"Invalid WP multiplicities - ABC3_oP10_51_a_f_2e2j:Cu-Ge-O, expected CuGeO6 to be CuGeO3" +mp-1181557,CuGeO3,-6.000480524,-1.2880203923,0.3361046813,0.3361046813,GGA,Pmma,ABC3_oP10_51_a_e_fi:Cu-Ge-O,10.0,ABC3_oP10_51_a_e_fi:Cu-Ge-O +mp-1181636,CuGeO3,-6.29691779,-1.5844576582,0.0396674153,0.0396674153,GGA,Pmna,ABC3_oP20_53_e_h_g2h:Cu-Ge-O,20.0,ABC3_oP20_53_e_h_g2h:Cu-Ge-O +mp-1202570,CuGeO3,-6.3150110479,-1.6025509161,0.0215741575,0.0215741575,GGA,Pbam,ABC3_oP80_55_abcdef_2i_gh5i:Cu-Ge-O,80.0,ABC3_oP80_55_abcdef_2i_gh5i:Cu-Ge-O +mp-554624,CuGeO3,-6.3118368531,-1.5993767214,0.0247483522,0.0247483522,GGA,Pnnm,ABC3_oP80_58_abcdef_2h_2g5h:Cu-Ge-O,80.0,"Invalid WP multiplicities - ABC3_oP80_58_2a2b2cd3e3f_6h_8g39h:Cu-Ge-O, expected Cu19(Ge6O43)4 to be CuGeO3" +mp-561216,CuGeO3,-6.3170465085,-1.6045863767,0.0195386968,0.0195386968,GGA,Cmce,ABC3_oC80_64_abd_g_ef2g:Cu-Ge-O,80.0,"Invalid WP multiplicities - ABC3_oC80_64_2a3b4d_g_8e6f20g:Cu-Ge-O, expected Cu13(GeO27)4 to be CuGeO3" +mp-1379684,Cu3(GeO3)4,-6.2962240463,-1.5514874166,0.0796376812,0.0796376812,GGA,Im-3,A3B4C12_cI38_204_b_c_g:Cu-Ge-O,19.0,A3B4C12_cI38_204_b_c_g:Cu-Ge-O +mp-22828,Eu2Ge2O7,-7.791141763,-1.9377890094,0.6873216040000001,0.6873216040000001,GGA,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Eu-Ge-O,44.0,A2B2C7_tP44_92_b_b_a3b:Eu-Ge-O +mp-1213059,Eu2Cu(GeO3)4,-7.6804266353,-2.2875010445,0.0213043441,0.0213043441,GGA,P-1,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Eu-Ge-O,19.0,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Eu-Ge-O +mp-648448,Eu2GeO5,-9.0641160712,-2.8303066948,0.0,-0.0603547506,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Eu-Ge-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_6e_e_17e:Eu-Ge-O, expected Eu6GeO17 to be Eu2GeO5" +mp-9600,Cu2GeO4,-6.014849945,-1.3565362250000002,0.0731048531,0.0731048531,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Cu-Ge-O,14.0,A2BC4_tI28_141_c_b_h:Cu-Ge-O +mp-1213273,Eu2Cu(GeO4)2,-8.0640424365,-2.415367385,0.0,-0.0430301717,GGA,Cm,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Eu-Ge-O,26.0,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Eu-Ge-O +mp-1199094,Sm4(GeO5)3,-7.3622126343,-2.5011326901,0.1970243051,0.1970243051,GGA,Cmcm,A3B15C4_oC88_63_ag_3c2g2h_2g:Ge-O-Sm,44.0,A3B15C4_oC88_63_ag_3c2g2h_2g:Ge-O-Sm +mp-853114,Sm2Ge2O7,-2.3043877684,2.5419803188,5.5542630027,5.4311717366,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ge-O-Sm,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Ge-O-Sm, expected Sm7Ge7O27 to be Sm2Ge2O7" +mp-772149,Sm2Ge2O7,-7.8485783266,-3.0022102394,0.0100724445,-0.1130188216,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ge-O-Sm,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Ge-O-Sm, expected Sm7Ge7O27 to be Sm2Ge2O7" +mp-754621,Sm2Ge2O7,-7.8472852682,-3.000917181,0.011365503,-0.1117257632,GGA,C2/m,A2B7C2_mC22_12_i_aij_h:Ge-O-Sm,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_ai2j_h:Ge-O-Sm, expected Sm2Ge2O11 to be Sm2Ge2O7" +mp-772840,Sm2Ge2O7,-7.8586507711,-3.012282684,0.0,-0.1230912662,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Ge-O-Sm,44.0,"Invalid WP multiplicities - A2B7C2_tP44_92_b_2a23b_b:Ge-O-Sm, expected SmGeO24 to be Sm2Ge2O7" +mp-778114,Sm2Ge2O7,-7.8162550159,-2.9698869287000003,0.0423957552,-0.0806955109,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ge-O-Sm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Ge-O-Sm, expected SmGeO10 to be Sm2Ge2O7" +mp-978926,SmGeO3,-7.296009504,-2.4596734793,0.5082992155,0.5082992155,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Sm,5.0,AB3C_cP5_221_b_c_a:Ge-O-Sm +mp-1179445,Sm3GeO8,-7.6923907142,-2.829699385,0.1603951133,0.1603951133,GGA,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:Ge-O-Sm,24.0,AB8C3_mP24_11_e_2e3f_ef:Ge-O-Sm +mp-1208916,Sm2Cu(GeO4)2,-7.4843708246,-2.6877597215,0.0062381017,0.0062381017,GGA,Cm,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Sm,26.0,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Sm +mp-560349,La3NbO7,-9.1368239216,-3.7244468912,0.0,-0.0220052006,GGA,Pnma,A3BC7_oP44_62_cd_c_c3d:La-Nb-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_3c3d_c_4c18d:La-Nb-O, expected La9NbO40 to be La3NbO7" +mp-12287,La3NbO7,-9.1308835445,-3.7185065142,0.005940377,-0.0160648235,GGA,Cmcm,A3BC7_oC44_63_ag_b_cgh:La-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_63_a2g_b_cgh:La-Nb-O, expected La5NbO7 to be La3NbO7" +mp-542724,LaNbO4,-9.3616841208,-3.5576729558,0.0010480833,-0.0926044791,GGA,C2/c,ABC4_mC24_15_e_e_2f:La-Nb-O,12.0,ABC4_mC24_15_e_e_2f:La-Nb-O +mp-5295,LaNbO4,-9.3627322042,-3.5587210392,0.0,-0.0936525624,GGA,I4_1/a,ABC4_tI24_88_a_b_f:La-Nb-O,12.0,ABC4_tI24_88_a_b_f:La-Nb-O +mp-726245,LaNb2O7,-8.96313833,-2.9865945136,0.2109280295,0.2109280295,GGA,P4/mmm,AB2C7_tP10_123_c_g_agi:La-Nb-O,10.0,AB2C7_tP10_123_c_g_agi:La-Nb-O +mp-557784,LaNbTeO6,-8.1935932386,-2.8757320935,0.0,-0.0047344524,GGA,P-1,ABC6D_aP36_2_2i_2i_12i_2i:La-Nb-O-Te,36.0,"Invalid WP multiplicities - ABC6D_aP36_2_4i_4i_22i_4i:La-Nb-O-Te, expected La2Nb2Te2O11 to be LaNbTeO6" +mp-29183,LaNb7O12,-9.6326405048,-2.8823701588,0.0,-0.0219467334,GGA,P2_1/c,AB7C12_mP80_14_e_7e_ac11e:La-Nb-O,80.0,AB7C12_mP80_14_e_7e_ac11e:La-Nb-O +mp-1211479,LaNbO2,-8.6151910075,-2.3825186156,0.6346537927,0.6346537927,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:La-Nb-O,16.0,ABC2_tI32_141_c_d_h:La-Nb-O +mp-28155,LaNb5O14,-9.4022351179,-3.1674264047,0.0247697462,0.0247697462,GGA,Pbcm,AB5C14_oP80_57_c_d2e_2d6e:La-Nb-O,80.0,"Invalid WP multiplicities - AB5C14_oP80_57_c_d2e_2d9e:La-Nb-O, expected LaNb5O20 to be LaNb5O14" +mp-850556,La3Nb8O24,-9.3993203766,-3.2753492136,0.0291217768,0.0291217768,GGA,C2/m,A3B8C24_mC70_12_ai_2j_fh4i3j:La-Nb-O,35.0,"Invalid WP multiplicities - A3B8C24_mC70_12_ai_3j_2e2h7i8j:La-Nb-O, expected LaNb4O18 to be La3Nb8O24" +mp-27322,Nb2Te3O11,-7.4262739013,-2.1733924273,0.0,-0.0042826774,GGA,P2_12_12,A2B11C3_oP32_18_c_a5c_bc:Nb-O-Te,32.0,"Invalid WP multiplicities - A2B11C3_oP32_18_c_a6c_bc:Nb-O-Te, expected Nb2Te3O13 to be Nb2Te3O11" +mp-757457,LaNb3O9,-9.3809883281,-3.2455944338,0.0311843837,0.0311843837,GGA,Cm,AB3C9_mC52_8_2a_6a_6a6b:La-Nb-O,26.0,"Invalid WP multiplicities - AB3C9_mC52_12_i_5i_ac3i7j:La-Nb-O, expected LaNb5O18 to be LaNb3O9" +mp-1373566,LaNb3O9,-9.3793061369,-3.2439122426,0.0328665748,0.0328665748,GGA,C2/m,AB3C9_mC52_12_i_3i_ad2i3j:La-Nb-O,26.0,"Invalid WP multiplicities - AB3C9_mC52_12_i_5i_ad3i7j:La-Nb-O, expected LaNb5O18 to be LaNb3O9" +mp-505685,Nb2Te4O13,-7.1699893676,-2.0603690045,0.0059958045,0.0059958045,GGA,P-1,A2B13C4_aP76_2_4i_26i_8i:Nb-O-Te,76.0,"Invalid WP multiplicities - A2B13C4_aP76_2_8i_51i_16i:Nb-O-Te, expected Nb8Te16O51 to be Nb2Te4O13" +mp-1211668,LaNb8O14,-9.6079756833,-2.8688413623,0.0156296092,0.0156296092,GGA,Pbam,AB8C14_oP46_55_b_ghi_acgh2i:La-Nb-O,46.0,AB8C14_oP46_55_b_ghi_acgh2i:La-Nb-O +mp-1045679,Nb2TeO8,-7.9764080918,-2.2564603042,0.1632069548,0.1632069548,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Nb-O-Te,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_5f_e:Nb-O-Te, expected Nb2TeO10 to be Nb2TeO8" +mp-28200,LaNb7O19,-9.4193509883,-3.136675881,0.0147952824,0.0147952824,GGA,P321,AB7C19_hP54_150_d_defg_4def4g:La-Nb-O,54.0,"Invalid WP multiplicities - AB7C19_hP54_150_d_def2g_8def7g:La-Nb-O, expected LaNb10O32 to be LaNb7O19" +mp-607291,Cu3BiS3,-4.5036393007,-0.4254309092,0.0136337276,0.0136337276,GGA,P2_12_12_1,AB3C3_oP28_19_a_3a_3a:Bi-Cu-S,28.0,AB3C3_oP28_19_a_3a_3a:Bi-Cu-S +mp-1226093,Cu3Bi2S3Br2,-4.1465704085,-0.5971699554000001,0.0537283283,0.0537283283,GGA,P2_1/c,A2B2C3D3_mP40_14_2e_2e_3e_3e:Bi-Br-Cu-S,40.0,A2B2C3D3_mP40_14_2e_2e_3e_3e:Bi-Br-Cu-S +mp-23324,BiSBr,-4.1080523258,-0.9313965502,0.0,-0.0081845136,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Br-S,12.0,ABC_oP12_62_c_c_c:Bi-Br-S +mp-541149,Cu4Bi7S12,-4.5806994239000005,-0.5408016416,0.0292569911,0.0292569911,GGA,C2/m,A7B4C12_mC46_12_a3i_2i_6i:Bi-Cu-S,23.0,A7B4C12_mC46_12_a3i_2i_6i:Bi-Cu-S +mp-683991,Cu4Bi4S9,-4.5809341225,-0.5228851812,0.0309702085,0.0309702085,GGA,Pnma,A4B4C9_oP68_62_4c_4c_9c:Bi-Cu-S,68.0,"Invalid WP multiplicities - A4B4C9_oP68_62_14c_13c_35c:Bi-Cu-S, expected Cu13(Bi2S5)7 to be Cu4Bi4S9" +mp-559551,Cu4Bi4S9,-4.6024356531,-0.5443867118,0.0094686779,0.0094686779,GGA,Pnma,A4B4C9_oP68_62_4c_4c_9c:Bi-Cu-S,68.0,"Invalid WP multiplicities - A4B4C9_oP68_62_13c_14c_33c:Bi-Cu-S, expected Cu14Bi13S33 to be Cu4Bi4S9" +mp-1225738,CuBi5S8,-4.6496762671,-0.6215868918,0.0066754346,0.0066754346,GGA,C2,A5BC8_mC28_5_a2c_b_4c:Bi-Cu-S,14.0,A5BC8_mC28_5_a2c_b_4c:Bi-Cu-S +mp-1225964,Cu3Bi2S4Br,-4.3866923985,-0.5789497918000001,0.0080638725,0.0080638725,GGA,P2_12_12_1,A2BC3D4_oP40_19_2a_a_3a_4a:Bi-Br-Cu-S,40.0,A2BC3D4_oP40_19_2a_a_3a_4a:Bi-Br-Cu-S +mp-22982,CuBiS2,-4.5926083812,-0.5394594978,0.0,-0.0101430284,GGA,Pnma,ABC2_oP16_62_c_c_2c:Bi-Cu-S,16.0,ABC2_oP16_62_c_c_2c:Bi-Cu-S +mp-27124,Cu4(BiS2)5,-4.6041967758,-0.5534719864000001,0.0087861946,0.0087861946,GGA,C2/m,A5B4C10_mC38_12_a2i_2i_5i:Bi-Cu-S,19.0,A5B4C10_mC38_12_a2i_2i_5i:Bi-Cu-S +mp-1228012,Bi19(S9Br)3,-4.5657823949,-0.7022614793,0.0106754037,0.0106754037,GGA,R3,A19B3C27_hR294_146_2a12b_2b_18b:Bi-Br-S,98.0,"Invalid WP multiplicities - A19B3C27_hR294_146_2a32b_2b_48b:Bi-Br-S, expected Bi49(S24Br)3 to be Bi19(S9Br)3" +mp-675590,Cu6BiS6,-4.4947976177,-0.3983031291,0.0442549542,0.0442549542,GGA,P1,AB6C6_aP13_1_a_6a_6a:Bi-Cu-S,13.0,AB6C6_aP13_1_a_6a_6a:Bi-Cu-S +mp-1183706,CeMnO3,-8.780599036,-2.7935649198,0.355963916,0.355963916,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Mn-O,5.0,ABC3_cP5_221_a_b_c:Ce-Mn-O +mp-977389,CeCuO3,-7.310193148,-2.3357207563,0.399238458,0.399238458,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Cu-O,5.0,ABC3_cP5_221_a_b_c:Ce-Cu-O +mp-1106150,CeMn4(CuO4)3,-7.5971910465,-1.8852393031,0.0341690495,0.0341690495,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ce-Cu-Mn-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ce-Cu-Mn-O +mp-1192462,DyMoBrO4,-7.8633880289,-2.6073565825,0.0,-0.0138492485,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Dy-Mo-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Dy-Mo-O +mp-675711,Li(Mo3S4)2,-7.702904224,-1.0312760599,0.0331394825,0.0331394825,GGA,P-1,AB6C8_aP30_2_i_6i_8i:Li-Mo-S,30.0,"Invalid WP multiplicities - AB6C8_aP30_2_i_12i_16i:Li-Mo-S, expected Li(Mo3S4)4 to be Li(Mo3S4)2" +mp-1103834,Li(Mo3S4)2,-7.6986035013,-1.0269753372,0.0374402052,0.0374402052,GGA,R-3,AB6C8_hR45_148_a_f_cf:Li-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Li-Mo-S +mp-1025988,Mo3(SeS2)2,-7.3483592478,-1.1178511641,0.01242586,0.01242586,GGA,P3m1,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-S-Se,9.0,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-S-Se +mp-1025925,Mo3(SeS2)2,-7.3478793633,-1.1173712797,0.0129057444,0.0129057444,GGA,P-6m2,A3B4C2_hP9_187_ah_2g_h:Mo-S-Se,9.0,"Invalid WP multiplicities - A3B4C2_hP9_187_ah_3g_h:Mo-S-Se, expected Mo3(SeS3)2 to be Mo3(SeS2)2" +mp-1198026,Li5Mo15S19,-7.4676228871,-1.0362917728,0.0401740597,0.0401740597,GGA,P6_3/m,A5B15C19_hP78_176_fh_h2i_efh2i:Li-Mo-S,78.0,A5B15C19_hP78_176_fh_h2i_efh2i:Li-Mo-S +mp-1222388,LiMo6(Se3S)2,-7.2936395833,-0.8782267749,0.0578875132,0.0578875132,GGA,P1,AB6C2D6_aP15_1_a_6a_2a_6a:Li-Mo-S-Se,15.0,AB6C2D6_aP15_1_a_6a_2a_6a:Li-Mo-S-Se +mp-1025906,Mo3(Se2S)2,-7.13463569,-1.0464694706,0.0125290789,0.0125290789,GGA,P3m1,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-S-Se,9.0,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-S-Se +mp-1025819,Mo3(Se2S)2,-7.1351037,-1.0469374806,0.0120610689,0.0120610689,GGA,P-6m2,A3B2C4_hP9_187_ah_h_2g:Mo-S-Se,9.0,"Invalid WP multiplicities - A3B2C4_hP9_187_ah_h_3g:Mo-S-Se, expected Mo3(Se3S)2 to be Mo3(Se2S)2" +mp-677108,Li7(Mo3S4)4,-7.1205887671,-1.1293470741,0.0040901266,0.0040901266,GGA,P1,A7B12C16_aP35_1_7a_12a_16a:Li-Mo-S,35.0,A7B12C16_aP35_1_7a_12a_16a:Li-Mo-S +mp-1221501,Mo3(SeS)2,-7.7058004579,-0.8769900266,0.0612709336,0.0612709336,GGA,P1,A3B2C2_aP14_1_6a_4a_4a:Mo-S-Se,14.0,A3B2C2_aP14_1_6a_4a_4a:Mo-S-Se +mp-675383,Li3(Mo3S4)2,-7.2204095468,-1.1090996529,0.0121572551,0.0121572551,GGA,P1,A3B6C8_aP34_1_6a_12a_16a:Li-Mo-S,34.0,A3B6C8_aP34_1_6a_12a_16a:Li-Mo-S +mp-1027890,Mo2SeS3,-7.4043408867,-1.138247337,0.0098493058,0.0098493058,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Se,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Se +mp-1027608,Mo2SeS3,-7.4030983483,-1.1370047986,0.0110918442,0.0110918442,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Se,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Se +mp-1221485,Mo2SeS3,-7.406700975,-1.1406074253,0.0074892175,0.0074892175,GGA,P3m1,A2B3C_hP6_156_ab_a2b_a:Mo-S-Se,6.0,A2B3C_hP6_156_ab_a2b_a:Mo-S-Se +mp-1018806,MoSeS,-7.240236875,-1.0808997235,0.0137380633,0.0137380633,GGA,Amm2,ABC_oC12_38_ab_c_c:Mo-S-Se,6.0,ABC_oC12_38_ab_c_c:Mo-S-Se +mp-1023953,MoSeS,-7.240167635,-1.0808304835,0.0138073033,0.0138073033,GGA,P3m1,ABC_hP6_156_ab_2a_2b:Mo-S-Se,6.0,ABC_hP6_156_ab_2a_2b:Mo-S-Se +mp-1027580,MoSeS,-7.240206352499999,-1.080869201,0.0137685858,0.0137685858,GGA,P3m1,ABC_hP12_156_2a2b_4a_4b:Mo-S-Se,12.0,ABC_hP12_156_2a2b_4a_4b:Mo-S-Se +mp-1027687,MoSeS,-7.2394890908,-1.0801519393,0.0144858475,0.0144858475,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-S-Se,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-S-Se +mp-1026916,MoSeS,-7.24039334,-1.0810561885,0.0135815983,0.0135815983,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-S-Se,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-S-Se, expected Mo3(SeS)2 to be MoSeS" +mp-1027492,MoSeS,-7.2397693717,-1.0804322202,0.0142055667,0.0142055667,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-S-Se,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-S-Se, expected Mo3(SeS)2 to be MoSeS" +mp-1221404,MoSeS,-7.2432294167,-1.0838922652,0.0107455217,0.0107455217,GGA,P-3m1,ABC_hP6_164_c_d_d:Mo-S-Se,6.0,ABC_hP6_164_c_d_d:Mo-S-Se +mp-675779,Li2Mo3S4,-7.0227847583,-1.1449408105,0.0,-0.0106825154,GGA,P1,A2B3C4_aP18_1_4a_6a_8a:Li-Mo-S,18.0,A2B3C4_aP18_1_4a_6a_8a:Li-Mo-S +mp-1026980,Mo2Se3S,-7.0832655483,-1.030684795,0.0104941358,0.0104941358,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Se,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Se +mp-1027483,Mo2Se3S,-7.0829878792,-1.0304071259,0.010771805,0.010771805,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Se,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Se +mp-1222346,LiMo6(SeS3)2,-7.555015054,-0.9687920085,0.0528564492,0.0528564492,GGA,R-3,AB6C6D2_hR45_148_a_f_f_c:Li-Mo-S-Se,15.0,AB6C6D2_hR45_148_a_f_f_c:Li-Mo-S-Se +mp-30248,LiMoS2,-6.4900749944000005,-1.2332068168,0.0226716083,0.0226716083,GGA,P-1,ABC2_aP16_2_2i_2i_4i:Li-Mo-S,16.0,ABC2_aP16_2_2i_2i_4i:Li-Mo-S +mp-1208251,TmCr2O2,-7.8635771075,-1.1285155503,1.3191537175,1.3191537175,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Tm,20.0,A2B2C_tI40_141_h_h_c:Cr-O-Tm +mp-777295,TmCrO3,-9.0432949065,-3.2495051011,0.0,-0.0190781773,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Tm,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Tm +mp-1187577,TmCrO3,-8.644344738000001,-2.8505549326,0.3989501685,0.3798719912,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Tm,5.0,AB3C_cP5_221_b_c_a:Cr-O-Tm +mp-2218750,Tm2MgCr2O8,-8.1906627831,-2.8497738964,0.1805906382,0.1805906382,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Tm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Cr-Mg-O-Tm, expected Tm2MgCr2O16 to be Tm2MgCr2O8" +mp-2218774,Tm2MgCr2O8,-8.2026835392,-2.8617946526,0.168569882,0.168569882,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Cr-Mg-O-Tm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Cr-Mg-O-Tm, expected Tm2MgCr2O16 to be Tm2MgCr2O8" +mp-22647,TmCrO4,-8.4437765692,-2.7911702794,0.0,-0.0467841946,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Tm,12.0,AB4C_tI24_141_a_h_b:Cr-O-Tm +mp-1339646,ZnNiAsO5,-6.0098597559,-1.4558044745,0.0801011922,0.0801011922,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Ni-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Ni-O-Zn +mp-1395801,ZnNiO2,-5.4589360537000005,-1.2256216256,0.2795067275,0.2795067275,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Ni-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Ni-O-Zn, expected Zn2Ni3O7 to be ZnNiO2" +mp-1400332,ZnNiO2,-5.4848149669,-1.2515005387,0.2536278144,0.2536278144,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Ni-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Ni-O-Zn, expected Zn2Ni3O7 to be ZnNiO2" +mp-1046933,ZnNiO2,-5.5276292519,-1.2943148237,0.2108135294,0.2108135294,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Ni-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Ni-O-Zn, expected Zn2Ni3O7 to be ZnNiO2" +mp-1215685,ZnNiO2,-5.655131245,-1.4218168169,0.0833115363,0.0833115363,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Ni-O-Zn,16.0,AB2C_hR12_166_a_c_b:Ni-O-Zn +mp-759655,Ni17(As3O16)2,-6.6204179147,-1.4474893193,0.0031029435,-0.0046677492,GGA+U,P2/m,A6B17C32_mP55_10_bcmn_amn3o_4m4n4o:As-Ni-O,55.0,"Invalid WP multiplicities - A6B17C32_mP55_10_bcm2n_a2m2n4o_7m8n8o:As-Ni-O, expected Ni25(As4O31)2 to be Ni17(As3O16)2" +mp-705872,Ni17(As3O16)2,-6.6235208582,-1.4505922627,0.0,-0.0077706927,GGA+U,P2_1/c,A6B17C32_mP110_14_3e_a8e_16e:As-Ni-O,110.0,"Invalid WP multiplicities - A6B17C32_mP110_14_9e_2a32e_63e:As-Ni-O, expected Ni11(AsO7)3 to be Ni17(As3O16)2" +mp-1044386,ZnNi3O7,-5.4364014393,-0.5975855640000001,0.4079734037,0.4079734037,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Ni-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Ni-O-Zn, expected ZnNi5O7 to be ZnNi3O7" +mp-1045893,Zn2Ni9O13,-6.1006445725,-1.1486582981,0.0772285902,0.0772285902,GGA+U,C2/m,A9B13C2_mC48_12_a4i_d6i_i:Ni-O-Zn,24.0,A9B13C2_mC48_12_a4i_c6i_i:Ni-O-Zn +mp-754030,Zn3Ni7O10,-6.008667616,-1.3233138809,0.0672517098,0.0672517098,GGA+U,R-3m,A7B10C3_hR60_166_a3c_5c_bc:Ni-O-Zn,20.0,"Invalid WP multiplicities - A7B10C3_hR60_166_a5c_8c_b2c:Ni-O-Zn, expected Zn5Ni11O16 to be Zn3Ni7O10" +mp-1378884,ZnNiO3,-5.408729711,-1.0327404263,0.1872701681,0.1872701681,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Zn,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Zn +mp-1199861,Ni2As2O7,-6.5880430809,-1.5421038856,0.0209521003,0.0209521003,GGA+U,P1,A2B2C7_aP33_1_6a_6a_21a:As-Ni-O,33.0,A2B2C7_aP33_1_6a_6a_21a:As-Ni-O +mp-22754,Ni2As2O7,-6.5814990859,-1.5355598906,0.0274960953,0.0274960953,GGA+U,C2/m,A2B2C7_mC22_12_i_h_aij:As-Ni-O,22.0,A2B2C7_mC22_12_i_h_aij:As-Ni-O +mp-1096784,Ni(AsO2)2,-6.5242851504,-1.5406953882,0.0,-0.02831217,GGA+U,P4_2/mbc,A2BC4_tP28_135_h_d_gh:As-Ni-O,28.0,A2BC4_tP28_135_h_d_gh:As-Ni-O +mp-1215795,Zn(Ni2O5)2,-5.5957931733,-0.6726480105,0.2277027805,0.2277027805,GGA+U,C2/m,A4B10C_mC30_12_2i_5i_a:Ni-O-Zn,15.0,"Invalid WP multiplicities - A4B10C_mC30_12_3i_10i_a:Ni-O-Zn, expected Zn(Ni3O10)2 to be Zn(Ni2O5)2" +mp-1198130,Ni2As2O9,-6.0736023846,-1.0429324945,0.2796533397,0.2796533397,GGA+U,P2_1/c,A2B2C9_mP52_14_2e_2e_9e:As-Ni-O,52.0,A2B2C9_mP52_14_2e_2e_9e:As-Ni-O +mp-1101164,Zn2Ni11O13,-6.2679238435,-1.2522336917,0.0546129571,0.0546129571,GGA+U,Immm,A11B13C2_oI52_71_a5e_c6f_e:Ni-O-Zn,26.0,"Invalid WP multiplicities - A11B13C2_oI52_71_a10e_c12f_e:Ni-O-Zn, expected Zn2Ni21O25 to be Zn2Ni11O13" +mp-19519,Ni3(AsO4)2,-6.6295413544,-1.5347600821,0.0,-0.0235075883,GGA+U,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Ni-O,52.0,"Invalid WP multiplicities - A2B3C8_mP52_14_2e_3e_11e:As-Ni-O, expected Ni3As2O11 to be Ni3(AsO4)2" +mp-504969,Ni3(AsO4)2,-6.6233942362,-1.5286129638,0.0061471183,-0.01736047,GGA+U,Cmce,A2B3C8_oC52_64_f_ae_2fg:As-Ni-O,26.0,"Invalid WP multiplicities - A2B3C8_oC52_64_f_2a2e_2fg:As-Ni-O, expected Ni3AsO4 to be Ni3(AsO4)2" +mp-1040979,Zn(NiO2)2,-5.8589243969,-1.2008141376,0.0301909231,0.0093711422,GGA+U,P1,A2B4C_aP42_1_12a_24a_6a:Ni-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Ni-O-Zn +mp-2215220,Zn(NiO2)2,-5.8355012021,-1.1773909429,0.0536141179,0.032794337,GGA+U,P-1,A2B4C_aP14_2_abcf_4i_i:Ni-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_abcf_8i_i:Ni-O-Zn, expected Zn(NiO4)2 to be Zn(NiO2)2" +mp-1333466,Zn(NiO2)2,-5.7728480819,-1.1147378226,0.1162672381,0.0954474572,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Ni-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Ni-O-Zn, expected Zn(NiO2)3 to be Zn(NiO2)2" +mp-1656374,Zn(NiO2)2,-5.777009108,-1.1188988487,0.112106212,0.0912864311,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Ni-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Ni-O-Zn, expected Zn4Ni11O24 to be Zn(NiO2)2" +mp-1400858,Zn(NiO2)2,-5.680104815,-1.0219945557,0.209010505,0.1881907241,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Ni-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Ni-O-Zn, expected ZnNi3O7 to be Zn(NiO2)2" +mp-1340027,Zn(NiO2)2,-5.7581162968,-1.1000060375,0.1309990232,0.1101792423,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Ni-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Ni-O-Zn +mp-1376390,Zn(NiO2)2,-5.7511114732,-1.0930012139,0.1380038468,0.1171840659,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Ni-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Ni-O-Zn +mp-1047707,Zn(NiO2)2,-5.7684192121,-1.1103089529,0.1206961079,0.099876327,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Ni-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Ni-O-Zn +mp-1041962,Zn(NiO2)2,-5.7524933536,-1.0943830943,0.1366219664,0.1158021855,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Ni-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Ni-O-Zn, expected Zn(NiO5)2 to be Zn(NiO2)2" +mp-1047462,Zn(NiO2)2,-5.88911532,-1.2310050607,0.0,-0.0208197809,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Ni-O-Zn,14.0,A2B4C_tI28_88_c_f_b:Ni-O-Zn +mp-1048547,Zn(NiO2)2,-5.887895785,-1.2297855257,0.001219535,-0.0196002459,GGA+U,I4_1/amd,A2B4C_tI28_141_c_h_b:Ni-O-Zn,14.0,A2B4C_tI28_141_c_h_b:Ni-O-Zn +mp-1041154,Zn(NiO2)2,-5.8342015107,-1.1760912514,0.0549138093,0.0340940284,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Ni-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Ni-O-Zn, expected Zn2Ni8O15 to be Zn(NiO2)2" +mp-1048912,Zn(NiO2)2,-5.7876568564,-1.1295465971,0.1014584636,0.0806386827,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Ni-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Ni-O-Zn +mp-768586,Zn(NiO2)2,-5.8841886293000005,-1.22607837,0.0049266907,-0.0158930902,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Ni-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Ni-O-Zn +mp-1831183,ZnNi2O5,-5.3932645681,-0.6990820023000001,0.3780474258,0.3780474258,GGA+U,P2/c,A2B5C_mP16_13_g_e2g_f:Ni-O-Zn,16.0,A2B5C_mP16_13_g_e2g_f:Ni-O-Zn +mp-1402767,ZnNi2O5,-5.3133650944,-0.6191825286,0.4579468995,0.4579468995,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Ni-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Ni-O-Zn +mp-1410511,ZnNi2O5,-5.3919115981,-0.6977290323,0.3794003958,0.3794003958,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Ni-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Ni-O-Zn +mp-1366467,Zn2Ni2O5,-5.364203415,-1.0516251776,0.3039421494,0.3039421494,GGA+U,Pbam,A2B5C2_oP18_55_g_agh_h:Ni-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a2g3h_h:Ni-O-Zn, expected ZnNiO6 to be Zn2Ni2O5" +mp-1215778,Zn2NiO3,-5.349071935,-1.4924569294,0.1081403925,0.1081403925,GGA+U,Immm,AB3C2_oI12_71_a_cf_e:Ni-O-Zn,6.0,AB3C2_oI12_71_a_cf_e:Ni-O-Zn +mp-1042747,NiAs2O7,-6.0899339722,-1.1174145254,0.3261205369,0.3261205369,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Ni-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Ni-O +mp-976763,NiAsO3,-5.583455896,-0.5275916523,1.009245787,1.009245787,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:As-Ni-O,5.0,ABC3_cP5_221_a_b_c:As-Ni-O +mp-759178,Zn2Ni3O5,-5.831926286,-1.3725922044,0.0752547675,0.0752547675,GGA+U,C2/m,A3B5C2_mC20_12_ai_b2i_i:Ni-O-Zn,10.0,"Invalid WP multiplicities - A3B5C2_mC20_12_ai_b4i_i:Ni-O-Zn, expected Zn2(NiO3)3 to be Zn2Ni3O5" +mp-753454,ZnNi9O10,-6.366141144,-1.2287481019,0.0472547263,0.0472547263,GGA+U,P-1,A9B10C_aP20_2_a4i_fh4i_c:Ni-O-Zn,20.0,"Invalid WP multiplicities - A9B10C_aP20_2_a7i_fh7i_c:Ni-O-Zn, expected ZnNi15O16 to be ZnNi9O10" +mp-753807,ZnNi9O10,-6.3662759845,-1.2288829424,0.0471198857,0.0471198857,GGA+U,P-1,A9B10C_aP20_2_a4i_5i_c:Ni-O-Zn,20.0,"Invalid WP multiplicities - A9B10C_aP20_2_a6i_9i_c:Ni-O-Zn, expected ZnNi13O18 to be ZnNi9O10" +mp-1391277,Zn2Ni3O8,-5.6020941408,-1.0302936062,0.1017901167,0.1017901167,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Ni-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Ni-O-Zn +mp-1042880,Zn2Ni3O8,-5.5836846519000005,-1.0118841173,0.1201996055,0.1201996055,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Ni-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Ni-O-Zn, expected Zn2(NiO4)3 to be Zn2Ni3O8" +mp-1352913,Ni3(AsO4)4,-6.0523442737,-1.046957185,0.3282152701,0.3282152701,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Ni-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Ni-O, expected Ni3(As5O29)2 to be Ni3(AsO4)4" +mp-1041620,Zn3Ni3(AsO4)4,-6.1812617973,-1.6080643408,0.0466425584,0.0466425584,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Ni-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Ni-O-Zn, expected Zn3Ni3(As5O29)2 to be Zn3Ni3(AsO4)4" +mp-767798,Ni17(AsO4)12,-6.5802703539,-1.4943898012,0.0244806038,0.0244806038,GGA+U,C2,A12B17C48_mC154_5_ab5c_2a3b6c_24c:As-Ni-O,77.0,"Invalid WP multiplicities - A12B17C48_mC154_5_ab7c_2a3b11c_46c:As-Ni-O, expected Ni27(As4O23)4 to be Ni17(AsO4)12" +mp-765902,ZnNi4O5,-6.1873894925,-1.2760161039,0.0572681055,0.0572681055,GGA+U,C2/m,A4B5C_mC40_12_ad3i_5i_i:Ni-O-Zn,20.0,"Invalid WP multiplicities - A4B5C_mC40_12_ac6i_8i_i:Ni-O-Zn, expected ZnNi7O8 to be ZnNi4O5" +mp-1215716,ZnNi4O5,-6.202838581,-1.2914651924,0.041819017,0.041819017,GGA+U,C2/m,A4B5C_mC20_12_2i_a2i_c:Ni-O-Zn,10.0,"Invalid WP multiplicities - A4B5C_mC20_12_3i_a3i_c:Ni-O-Zn, expected ZnNi6O7 to be ZnNi4O5" +mp-1215686,ZnNi4O5,-6.195990519,-1.2846171304,0.048667079,0.048667079,GGA+U,Immm,A4B5C_oI20_71_2e_c2f_a:Ni-O-Zn,10.0,"Invalid WP multiplicities - A4B5C_oI20_71_3e_c4f_a:Ni-O-Zn, expected Zn(Ni2O3)3 to be ZnNi4O5" +mp-1215738,ZnNi4O5,-6.195770824,-1.2843974354,0.048886774,0.048886774,GGA+U,I4/m,A4B5C_tI20_87_h_ah_b:Ni-O-Zn,10.0,A4B5C_tI20_87_h_ah_b:Ni-O-Zn +mp-1215636,ZnNi4O5,-6.187081371,-1.2757079824,0.057576227,0.057576227,GGA+U,R-3m,A4B5C_hR30_166_2c_a2c_b:Ni-O-Zn,10.0,"Invalid WP multiplicities - A4B5C_hR30_166_3c_a4c_b:Ni-O-Zn, expected Zn(Ni2O3)3 to be ZnNi4O5" +mp-19384,Ni(AsO3)2,-6.5793173756000005,-1.6039278469,0.0,-0.0542940376,GGA+U,P-31m,A2BC6_hP9_162_c_b_k:As-Ni-O,18.0,A2BC6_hP9_162_c_b_k:As-Ni-O +mp-1043670,Zn(Ni2O3)2,-6.0642287014,-1.1496448289,0.0768934632,0.0768934632,GGA+U,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Ni-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Ni-O-Zn, expected Zn(Ni2O)6 to be Zn(Ni2O3)2" +mp-1042795,ZnNiAs2O7,-6.2668313364,-1.6318369656,0.0257225731,0.0257225731,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ni-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Ni-O-Zn +mp-510749,NiAsO4,-6.3178818633,-1.2802135417,0.1525877787,0.1525877787,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:As-Ni-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_7c2d:As-Ni-O, expected NiAsO11 to be NiAsO4" +mp-1211863,K2NdBr5,-4.099523145,-2.2552622729,0.0,-0.0331993294,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-K-Nd,32.0,A5B2C_oP32_62_3cd_d_c:Br-K-Nd +mp-1110779,K2RbNdBr6,-3.834958388,-2.1061934501,0.1166021463,0.1166021463,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Nd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Nd-Rb +mp-1223715,K3Nd3Br10,-4.1831672325,-2.1102970801,0.0756265362,0.0756265362,GGA,P2_1,A10B3C3_mP32_4_10a_3a_3a:Br-K-Nd,32.0,A10B3C3_mP32_4_10a_3a_3a:Br-K-Nd +mp-1211758,KNd2Br5,-4.3369180181,-2.0354385854,0.0811463743,0.0811463743,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-K-Nd,32.0,A5BC2_mP32_14_5e_e_2e:Br-K-Nd +mp-1213239,CsGaAgF6,-4.5380919453,-2.5130999227,0.0,-0.0133331679,GGA,Pnma,ABC6D_oP36_62_c_c_2c2d_a:Ag-Cs-F-Ga,36.0,ABC6D_oP36_62_c_c_2c2d_a:Ag-Cs-F-Ga +mp-1113117,Cs3GaF6,-4.750478614,-3.0321609196,0.0,-0.0386239243,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Ga,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Ga +mp-1113583,Cs2GaAgF6,-4.605678024,-2.6936449665,0.0,-0.0089418648,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ga,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ga +mp-1207208,GaAg3F6,-4.128910947,-1.8294471632,0.082755484,0.082755484,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Ag-F-Ga,10.0,A3B6C_cF40_225_ac_e_b:Ag-F-Ga +mp-556103,Cs3Ga2F9,-4.9114961118,-3.0582311212,0.0,-0.0554177275,GGA,P6_3cm,A3B9C2_hP84_185_3c_3c3d_2a2b:Cs-F-Ga,84.0,"Invalid WP multiplicities - A3B9C2_hP84_185_12c_18c30d_4a5b:Cs-F-Ga, expected Cs18Ga7F117 to be Cs3Ga2F9" +mp-1181943,CaVCu3Se4,-4.9177919922,-0.7654840066,0.2353585406,0.2353585406,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-V,9.0,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-V +mp-20464,SrPrO3,-7.2623796205,-3.0002865521,0.1450805224,0.1450805224,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Pr-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Pr-Sr +mp-1187202,SrPtO3,-6.221772342,-1.7016337606,0.1597648697,0.1597648697,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pt-Sr,5.0,A3BC_cP5_221_c_b_a:O-Pt-Sr +mp-29605,SrPr2O4,-7.9356053957,-3.5015968517,0.0462251655,0.0462251655,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Pr-Sr,28.0,A4B2C_oP28_62_4c_2c_c:O-Pr-Sr +mp-756374,SrPt3O4,-6.3394373569,-1.3782313246,0.0,-0.0231584637,GGA,Pm-3n,A4B3C_cP16_223_e_c_a:O-Pt-Sr,16.0,A4B3C_cP16_223_e_c_a:O-Pt-Sr +mp-19975,Sr2PrO4,-7.0597663357,-3.0673881205,0.0586532163,0.0586532163,GGA,Pbam,A4BC2_oP14_55_gh_a_h:O-Pr-Sr,14.0,A4BC2_oP14_55_gh_a_h:O-Pr-Sr +mp-686055,Sr3Pr4O9,-7.6119961313,-3.3174772699,0.1715828692,0.1715828692,GGA,P1,A9B4C3_aP32_1_18a_8a_6a:O-Pr-Sr,32.0,A9B4C3_aP32_1_18a_8a_6a:O-Pr-Sr +mp-1218742,Sr2Pr2PtO6,-7.1545391364,-2.7279878633,0.2828990006,0.2828990006,GGA,R-3,A6B2CD2_hR33_148_f_c_a_c:O-Pr-Pt-Sr,11.0,A6B2CD2_hR33_148_f_c_a_c:O-Pr-Pt-Sr +mp-4598,Sr4PtO6,-6.4900136486,-2.6255373395,0.0,-0.1342491668,GGA,R-3c,A6BC4_hR66_167_f_b_ae:O-Pt-Sr,22.0,A6BC4_hR66_167_f_b_ae:O-Pt-Sr +mp-676212,Na2Sr3P4,-3.9643887811,-0.7014175618,0.1221206058,0.1138714406,GGA,P2_1/c,A2B4C3_mP36_14_2e_4e_3e:Na-P-Sr,36.0,"Invalid WP multiplicities - A2B4C3_mP36_14_5e_13e_9e:Na-P-Sr, expected Na5Sr9P13 to be Na2Sr3P4" +mp-1221315,Na2Sr3P4,-4.0865093869,-0.8235381677,0.0,-0.0082491652,GGA,P2_1/c,A2B4C3_mP36_14_2e_4e_3e:Na-P-Sr,36.0,"Invalid WP multiplicities - A2B4C3_mP36_14_2e_6e_5e:Na-P-Sr, expected Na2Sr5P6 to be Na2Sr3P4" +mp-1220783,Na5SrNbP4,-4.2415245109,-0.6000122393,0.0,-0.0115228136,GGA,Cc,A5BC4D_mC44_9_5a_a_4a_a:Na-Nb-P-Sr,22.0,"Invalid WP multiplicities - A5BC4D_mC44_9_10a_a_7a_a:Na-Nb-P-Sr, expected Na10SrNbP7 to be Na5SrNbP4" +mp-13275,NaSrP,-3.6045635756,-0.7961231577000001,0.0,-0.070129109,GGA,P-62m,ABC_hP9_189_f_bc_g:Na-P-Sr,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Na-P-Sr, expected Na3Sr3P5 to be NaSrP" +mp-1110973,Cs2LiNdF6,-5.520166132,-3.5264912472,0.03978248,0.03978248,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Nd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Nd +mp-752394,AlTeO4,-6.6482285987,-2.2022891707,0.0768855166,0.0768855166,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Al-O-Te,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Al-O-Te, expected AlTeO10 to be AlTeO4" +mp-676724,Ca(Al3Te5)2,-3.9183114965,-0.6293636263,0.2109976629,0.2109976629,GGA,P1,A6BC10_aP34_1_12a_2a_20a:Al-Ca-Te,34.0,A6BC10_aP34_1_12a_2a_20a:Al-Ca-Te +mp-15312,Ca4Al6TeO12,-7.3890916517,-3.345638394,0.0,-0.0285848935,GGA,I-43m,A6B4C12D_cI46_217_d_c_g_a:Al-Ca-O-Te,23.0,A6B4C12D_cI46_217_d_c_g_a:Al-Ca-O-Te +mp-1214880,Al2Te4O11,-6.4377506318,-2.0566946872,0.0070219047,0.0070219047,GGA,P2_1/c,A2B11C4_mP34_14_e_a5e_2e:Al-O-Te,34.0,A2B11C4_mP34_14_e_a5e_2e:Al-O-Te +mp-1209153,RbAlH4,-3.3112422433,-0.2617398963,0.0579454458,-0.0888767883,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Al-H-Rb,12.0,AB4C_oC24_36_a_4a_a:Al-H-Rb +mp-1209241,RbAlH4,-3.3691876892,-0.3196853421,0.0,-0.1468222342,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-H-Rb,24.0,AB4C_oP24_62_c_2cd_c:Al-H-Rb +mp-1184767,InH,-2.6943621725,0.377842715,0.377842715,0.377842715,GGA,P6_3mc,AB_hP4_186_b_b:H-In,4.0,AB_hP4_186_b_b:H-In +mp-989528,Rb2AlInH6,-3.049743803,-0.1682754055,0.0731103446,0.0731103446,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-H-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-H-In-Rb +mp-1147705,RbInH3,-2.831721673,-0.0496424855,0.0495066043,0.0495066043,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:H-In-Rb,10.0,A3BC_cF40_225_e_ab_c:H-In-Rb +mp-21756,Sr(In4Rh)2,-3.8395315466,-0.3457516345,0.0,-0.0147833616,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:In-Rh-Sr,44.0,A8B2C_oP44_55_ad2g5h_2g_g:In-Rh-Sr +mp-1203220,InRhO3,-6.4984141268,-1.50720258,0.0406221205,0.0406221205,GGA,P2_1/c,AB3C_mP40_14_2e_6e_abcd:In-O-Rh,40.0,AB3C_mP40_14_2e_6e_abcd:In-O-Rh +mp-1105819,InRhO3,-6.4651187425,-1.4739071958,0.0739175047,0.0739175047,GGA,Pnma,AB3C_oP20_62_c_cd_a:In-O-Rh,20.0,AB3C_oP20_62_c_cd_a:In-O-Rh +mp-1212207,InRhO3,-6.2046191825,-1.2134076357,0.3344170647,0.3344170647,GGA,Pnma,AB3C_oP20_62_a_cd_c:In-O-Rh,20.0,AB3C_oP20_62_a_cd_c:In-O-Rh +mp-31294,Sr2In3Rh2,-4.2511073086,-0.4850139033,0.0,-0.0283584121,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:In-Rh-Sr,7.0,A3B2C2_mC14_12_ai_i_i:In-Rh-Sr +mp-669389,Sr3InRhO6,-6.5664650286,-2.4878646443,0.0,-0.038150543,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:In-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:In-O-Rh-Sr +mp-542537,SrIn2Rh,-4.1348909638,-0.4955987679,0.0,-0.0319499267,GGA,Cmcm,A2BC_oC16_63_f_c_c:In-Rh-Sr,8.0,A2BC_oC16_63_f_c_c:In-Rh-Sr +mp-557992,InTeClO3,-5.4407471863,-1.6768151167,0.0,-0.013926921,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cl-In-O-Te,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_6e_e:Cl-In-O-Te, expected InTeClO6 to be InTeClO3" +mp-1226457,Cs4Mn3O6,-6.4520987031,-1.7791919622,0.0,-0.1259397692,GGA+U,P2,A4B3C6_mP52_3_8e_3a3b3c3d_12e:Cs-Mn-O,52.0,A4B3C6_mP52_3_8e_3a3b3c3d_12e:Cs-Mn-O +mp-1180962,Mn8Si6O25,-8.3434946077,-2.4584882411,0.1041034525,0.1041034525,GGA+U,C2/m,A8B25C6_mC156_12_abegi2j_h6i9j_3j:Mn-O-Si,78.0,"Invalid WP multiplicities - A8B25C6_mC156_12_abf2g2i6j_2h11i28j_12j:Mn-O-Si, expected Mn6Si8O23 to be Mn8Si6O25" +mp-1202320,Mn8Si6O25,-8.3412173368,-2.4562109702,0.1063807233,0.1063807233,GGA+U,P-3m1,A8B25C6_hP78_164_aegi_dh5ij_j:Mn-O-Si,78.0,A8B25C6_hP78_164_aegi_dh5ij_j:Mn-O-Si +mp-768088,Mn2Si4O11,-8.3660728621,-2.8108447134,0.0896569501,0.0896569501,GGA+U,P-1,A2B11C4_aP34_2_2i_11i_4i:Mn-O-Si,34.0,"Invalid WP multiplicities - A2B11C4_aP34_2_3i_21i_7i:Mn-O-Si, expected Mn3(SiO3)7 to be Mn2Si4O11" +mp-766688,Mn4Si4O13,-8.5221943914,-2.6814188422000003,0.0725563193,0.0725563193,GGA+U,P-1,A4B13C4_aP42_2_4i_13i_4i:Mn-O-Si,42.0,"Invalid WP multiplicities - A4B13C4_aP42_2_7i_25i_7i:Mn-O-Si, expected Mn7Si7O25 to be Mn4Si4O13" +mp-18994,CsMnO4,-6.4666096513,-1.4925808997,0.0,-0.0300421677,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Cs-Mn-O,24.0,ABC4_oP24_62_c_c_2cd:Cs-Mn-O +mp-5945,MnSiO3,-8.6753146859,-2.7898347947,0.0070941201,0.0070941201,GGA+U,P-1,AB3C_aP70_2_7i_21i_7i:Mn-O-Si,70.0,AB3C_aP70_2_7i_21i_7i:Mn-O-Si +mp-647680,MnSiO3,-8.3748873332,-2.489407442,0.3075214728,0.3075214728,GGA+U,P-1,AB3C_aP50_2_ad4i_15i_5i:Mn-O-Si,50.0,"Invalid WP multiplicities - AB3C_aP50_2_ad7i_29i_9i:Mn-O-Si, expected Mn8Si9O29 to be MnSiO3" +mp-560199,MnSiO3,-8.6752206598,-2.7897407686,0.0071881462,0.0071881462,GGA+U,P-1,AB3C_aP50_2_5i_15i_5i:Mn-O-Si,50.0,"Invalid WP multiplicities - AB3C_aP50_2_8i_29i_9i:Mn-O-Si, expected Mn8Si9O29 to be MnSiO3" +mp-1180172,MnSiO3,-8.3885989212,-2.50311903,0.2938098848,0.2938098848,GGA+U,P-1,AB3C_aP50_2_ad4i_15i_5i:Mn-O-Si,50.0,"Invalid WP multiplicities - AB3C_aP50_2_ad7i_29i_9i:Mn-O-Si, expected Mn8Si9O29 to be MnSiO3" +mp-1180212,MnSiO3,-8.3125268194,-2.4270469282,0.3698819866,0.3698819866,GGA+U,P-1,AB3C_aP50_2_ad4i_15i_5i:Mn-O-Si,50.0,"Invalid WP multiplicities - AB3C_aP50_2_ad7i_29i_9i:Mn-O-Si, expected Mn8Si9O29 to be MnSiO3" +mp-1181218,MnSiO3,-8.5672438182,-2.681763927,0.1151649878,0.1151649878,GGA+U,P-1,AB3C_aP50_2_ad4i_15i_5i:Mn-O-Si,50.0,"Invalid WP multiplicities - AB3C_aP50_2_ad7i_29i_9i:Mn-O-Si, expected Mn8Si9O29 to be MnSiO3" +mp-17766,MnSiO3,-8.6662115035,-2.7807316123,0.0161973025,0.0161973025,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-Si,40.0,AB3C_mP40_14_2e_6e_2e:Mn-O-Si +mp-1172857,MnSiO3,-8.6661768445,-2.7806969533,0.0162319615,0.0162319615,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-Si,40.0,"Invalid WP multiplicities - AB3C_mP40_14_4e_22e_4e:Mn-O-Si, expected Mn2Si2O11 to be MnSiO3" +mp-1289249,MnSiO3,-8.669610447,-2.7841305558,0.012798359,0.012798359,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Mn-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_3f_f:Mn-O-Si, expected Mn2SiO3 to be MnSiO3" +mp-532143,MnSiO3,-8.6000736811,-2.71459379,0.0823351249,0.0823351249,GGA+U,I4_1/a,AB3C_tI160_88_cef_6f_abdf:Mn-O-Si,80.0,"Invalid WP multiplicities - AB3C_tI160_88_c4e6f_45f_2a2b3d5f:Mn-O-Si, expected Mn17(SiO6)15 to be MnSiO3" +mp-5802,Mn5(SiO4)3,-8.6036996499,-2.5313848956,0.0791116259,0.0791116259,GGA+U,Ia-3d,A5B12C3_cI160_230_ac_h_d:Mn-O-Si,80.0,A5B12C3_cI160_230_ac_h_d:Mn-O-Si +mp-3224,Mn7SiO12,-8.6836162153,-2.2376317348,0.0,-0.0221876186,GGA+U,I4_1/acd,A7B12C_tI160_142_bcef_3g_a:Mn-O-Si,80.0,"Invalid WP multiplicities - A7B12C_tI160_142_bc2ef_8g_a:Mn-O-Si, expected Mn9SiO32 to be Mn7SiO12" +mp-566512,Mn7SiO12,-8.3473146568,-1.9013301763,0.3363015585,0.3141139399,GGA+U,I4_1/acd,A7B12C_tI160_142_bcef_3g_a:Mn-O-Si,80.0,"Invalid WP multiplicities - A7B12C_tI160_142_4b5c7e6f_34g_a:Mn-O-Si, expected Mn40SiO136 to be Mn7SiO12" +mp-1181135,Mn7SiO12,-8.4259919239,-1.9800074434,0.2576242914,0.2354366728,GGA+U,I4_1/acd,A7B12C_tI160_142_bcef_3g_a:Mn-O-Si,80.0,"Invalid WP multiplicities - A7B12C_tI160_142_4b5c7e6f_34g_a:Mn-O-Si, expected Mn40SiO136 to be Mn7SiO12" +mp-18442,Mn4SiO7,-8.7151535746,-2.3234702265,0.0433249234,0.0433249234,GGA+U,P6_3,A4B7C_hP24_173_ac_b2c_b:Mn-O-Si,24.0,"Invalid WP multiplicities - A4B7C_hP24_173_2a2c_b2c_b:Mn-O-Si, expected Mn8SiO7 to be Mn4SiO7" +mp-861258,Mn3Si3O10,-8.4952811156,-2.6684756732,0.0720764403,0.0720764403,GGA+U,C2/c,A3B10C3_mC64_15_cf_5f_ef:Mn-O-Si,32.0,"Invalid WP multiplicities - A3B10C3_mC64_15_2a3f_17f_2e2f:Mn-O-Si, expected Mn4Si3O17 to be Mn3Si3O10" +mp-756726,Mn2Si2O7,-8.4116606014,-2.6115253629,0.0885051593,0.0885051593,GGA+U,Cmcm,A2B7C2_oC44_63_ac_cfh_f:Mn-O-Si,22.0,"Invalid WP multiplicities - A2B7C2_oC44_63_ac_cf2h_f:Mn-O-Si, expected Mn2Si2O11 to be Mn2Si2O7" +mp-19351,MnSi2O5,-8.4642963894,-2.8710345258,0.1025580794,0.1025580794,GGA+U,C2/c,AB5C2_mC32_15_e_e2f_ae:Mn-O-Si,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_e_e3f_ce:Mn-O-Si, expected MnSi2O7 to be MnSi2O5" +mp-15126,Cs2MnSi5O12,-7.8972174092,-3.0252336731,0.0,-0.0440986288,GGA+U,Pbca,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Mn-O-Si,160.0,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Mn-O-Si +mp-737304,Mn9(Si2O9)2,-8.7258962611,-2.4936444369,0.0462336252,0.0462336252,GGA+U,Pna2_1,A9B18C4_oP124_33_9a_18a_4a:Mn-O-Si,124.0,A9B18C4_oP124_33_9a_18a_4a:Mn-O-Si +mp-1198989,Mn5(SiO5)2,-8.7021466326,-2.4593466542,0.0351141788,0.0351141788,GGA+U,P2_1/c,A5B10C2_mP34_14_a2e_5e_e:Mn-O-Si,34.0,A5B10C2_mP34_14_a2e_5e_e:Mn-O-Si +mp-18928,Mn2SiO4,-8.8144709057,-2.5950275544,0.0,-0.0366155172,GGA+U,Pnma,A2B4C_oP28_62_ac_2cd_c:Mn-O-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_2cd_c:Mn-O-Si, expected Mn4SiO4 to be Mn2SiO4" +mp-1142713,Mn(SiO3)2,-8.1929167128,-2.6714963106000003,0.1094177942,0.1094177942,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Mn-O-Si,18.0,AB6C2_mC36_15_e_3f_f:Mn-O-Si +mp-1042331,Mn(SiO3)2,-8.0925305915,-2.5711101894,0.2098039154,0.2098039154,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Mn-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Mn-O-Si, expected MnSi8O41 to be Mn(SiO3)2" +mp-1043728,Mn(Si2O5)2,-8.1530470613,-2.797702093,0.1780592055,0.1780592055,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Mn-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Mn-O-Si, expected Mn(Si2O11)2 to be Mn(Si2O5)2" +mp-755110,Cs2MnO4,-6.0943477421,-1.702979902,0.0299387232,-0.198383937,GGA+U,Cmc2_1,A2BC4_oC28_36_2a_a_2ab:Cs-Mn-O,14.0,A2BC4_oC28_36_2a_a_2ab:Cs-Mn-O +mp-505300,Cs2MnO4,-6.1242864654,-1.7329186252,0.0,-0.2283226603,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Mn-O,28.0,A2BC4_oP28_62_2c_c_2cd:Cs-Mn-O +mp-1351269,Mn4(SiO3)5,-8.492816394,-2.7438588112,0.0743734663,0.0743734663,GGA+U,P-1,A4B15C5_aP48_2_4i_15i_5i:Mn-O-Si,48.0,"Invalid WP multiplicities - A4B15C5_aP48_2_7i_29i_9i:Mn-O-Si, expected Mn7Si9O29 to be Mn4(SiO3)5" +mp-1249486,MnSiO4,-7.774594886,-2.0455801915,0.4917749211,0.4917749211,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Mn-O-Si,72.0,AB4C_cI144_230_c_h_d:Mn-O-Si +mp-1222225,Mn7Si3O14,-8.7059134683,-2.4699258395,0.053866954,0.053866954,GGA+U,P2_1,A7B14C3_mP48_4_7a_14a_3a:Mn-O-Si,48.0,A7B14C3_mP48_4_7a_14a_3a:Mn-O-Si +mp-757122,Mn5(Si2O7)2,-8.5617346291,-2.6154306927,0.0808313376,0.0808313376,GGA+U,P-1,A5B14C4_aP23_2_a2i_7i_2i:Mn-O-Si,23.0,"Invalid WP multiplicities - A5B14C4_aP23_2_a3i_13i_3i:Mn-O-Si, expected Mn7(Si3O13)2 to be Mn5(Si2O7)2" +mp-1643677,Mn5(Si2O7)2,-8.5873247798,-2.6410208434,0.055241187,0.055241187,GGA+U,P-1,A5B14C4_aP46_2_5i_14i_4i:Mn-O-Si,46.0,"Invalid WP multiplicities - A5B14C4_aP46_2_7i_21i_6i:Mn-O-Si, expected Mn7(Si2O7)3 to be Mn5(Si2O7)2" +mp-765640,Sm3Ta17O47,-10.1318123745,-3.4417773365,0.0,-0.0070637785,GGA,P2/m,A47B3C17_mP67_10_a8m15n_dm_b8n:O-Sm-Ta,67.0,"Invalid WP multiplicities - A47B3C17_mP67_10_a15m30n_gm_b15n:O-Sm-Ta, expected Sm3Ta31O91 to be Sm3Ta17O47" +mp-1214622,Ba2SmTaO6,-8.529448252,-3.5200036608,0.0,-0.0331959079,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-Ta +mp-752686,Sm3TaO7,-9.3068315014,-3.7940717728,0.0,-0.0189508744,GGA,C222_1,A7B3C_oC44_20_3b2c_ac_a:O-Sm-Ta,22.0,"Invalid WP multiplicities - A7B3C_oC44_20_6b3c_a2c_a:O-Sm-Ta, expected Sm5TaO12 to be Sm3TaO7" +mp-770927,Sm3TaO7,-9.3048453807,-3.7920856522,0.0019861207,-0.0169647537,GGA,Pnma,A7B3C_oP44_62_c3d_cd_c:O-Sm-Ta,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_4c9d_3c2d_c:O-Sm-Ta, expected Sm7TaO22 to be Sm3TaO7" +mp-755941,Sm3TaO7,-9.2933457768,-3.7805860483,0.0134857245,-0.0054651499,GGA,Cmcm,A7B3C_oC44_63_cgh_ag_b:O-Sm-Ta,22.0,"Invalid WP multiplicities - A7B3C_oC44_63_c2g2h_a2g_b:O-Sm-Ta, expected Sm5TaO13 to be Sm3TaO7" +mp-1192238,Sm3TaO7,-9.3039815555,-3.7912218269,0.0028499459,-0.0161009285,GGA,Cmcm,A7B3C_oC44_63_3ch_ag_b:O-Sm-Ta,22.0,A7B3C_oC44_63_3ch_ag_b:O-Sm-Ta +mp-1173331,Sm3TaO7,-9.0076680264,-3.4949082978,0.299163475,0.2802126006,GGA,Cmme,A7B3C_oC44_67_gmo_em_a:O-Sm-Ta,22.0,"Invalid WP multiplicities - A7B3C_oC44_67_2g2m3o_2e3m_a:O-Sm-Ta, expected Sm8TaO18 to be Sm3TaO7" +mp-1208912,Sm2Ta2O9,-9.2429364642,-3.268096008,0.1492502482,0.1492502482,GGA,P2_1/c,A9B2C2_mP26_14_a4e_e_e:O-Sm-Ta,26.0,A9B2C2_mC26_12_a4i_i_i:O-Sm-Ta +mp-12931,SmTaO4,-9.7626448792,-3.7021251108,0.0,-0.0719681105,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Sm-Ta,12.0,A4BC_mP12_13_2g_e_f:O-Sm-Ta +mp-770284,SmTaO4,-9.7448999,-3.6843801317,0.0177449792,-0.0542231313,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Sm-Ta,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:O-Sm-Ta, expected SmTaO11 to be SmTaO4" +mp-3756,SmTaO4,-9.7578247975,-3.6973050292,0.0048200817,-0.0671480288,GGA,C2/c,A4BC_mC24_15_2f_e_e:O-Sm-Ta,12.0,A4BC_mC24_15_2f_e_e:O-Sm-Ta +mp-768230,SmTaO4,-9.7049672192,-3.6444474508,0.05767766,-0.0142904505,GGA,Cmc2_1,A4BC_oC24_36_4a_a_a:O-Sm-Ta,12.0,"Invalid WP multiplicities - A4BC_oC24_36_7a_a_a:O-Sm-Ta, expected SmTaO7 to be SmTaO4" +mp-989582,Ca6Pb2SeN,-4.08709539,-0.9579654077,0.0270575359,0.0270575359,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Ca-N-Pb-Se,10.0,A6BC2D_cF40_225_e_a_c_b:Ca-N-Pb-Se +mp-1246970,Ca4PbN4,-5.6961351122,-0.6871321911,0.0789223964,0.0789223964,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Pb,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Pb +mp-1246488,Ca4PbN4,-5.6865171275,-0.6775142064,0.0885403811,0.0885403811,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Pb,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Pb +mp-1245740,Ca7SeN6,-5.5118747137,-0.6865832718,0.3747290485,0.3747290485,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-Se,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-Se +mp-1246129,Ca4SeN4,-5.6978750772,-0.7129538886,0.4194239021,0.4194239021,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Se,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Se +mp-1246485,Ca4SeN4,-6.099524765,-1.1146035764,0.0177742143,0.0177742143,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Se,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Se +mp-1227810,Ca3PbSe4,-4.83994801,-1.8758114324,0.0170870687,0.0170870687,GGA,Pmmm,A3BC4_oP8_47_al_b_cdk:Ca-Pb-Se,8.0,"Invalid WP multiplicities - A3BC4_oP8_47_a2l_b_cd2k:Ca-Pb-Se, expected Ca5PbSe6 to be Ca3PbSe4" +mp-1245969,Ca2PbN2,-5.407802129,-0.5284347930000001,0.1610143358,0.1610143358,GGA,Pmmn,A2B2C_oP10_59_e_e_a:Ca-N-Pb,10.0,A2B2C_oP10_59_e_e_a:Ca-N-Pb +mp-1246360,Ca2PbN2,-5.220101288,-0.340733952,0.3487151767,0.3487151767,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ca-N-Pb,5.0,A2B2C_hP5_164_d_d_a:Ca-N-Pb +mp-1227206,CaPbSe2,-4.6952725875,-1.5177551112,0.009724115,0.009724115,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Pb-Se,4.0,ABC2_tP4_123_a_d_bc:Ca-Pb-Se +mp-21128,Ca3PbN,-2.86468671,0.7485016170000001,1.4846569978000002,1.4846569978000002,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-N-Pb,5.0,A3BC_cP5_221_c_a_b:Ca-N-Pb +mp-1247162,Ca11(PbN5)2,-5.5405088513,-0.6339070222000001,0.1685258014,0.1685258014,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Pb,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Pb +mp-1227112,CaPb3Se4,-4.5386569062,-1.1477585312,0.01430142,0.01430142,GGA,Cmmm,AB3C4_oC16_65_a_bf_gj:Ca-Pb-Se,8.0,AB3C4_oC16_65_a_bf_gj:Ca-Pb-Se +mp-1246781,Ca5(PbN3)2,-5.5822011338,-0.39202705,0.3096660429,0.3096660429,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Pb,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Pb +mp-1245363,Ca7PbN6,-5.5639891007,-0.7232165450000001,0.1026022875,0.1026022875,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Pb,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Pb +mp-1205958,Sr2CrReO6,-8.187663597,-2.6719942141,0.0185862552,0.0185862552,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Re-Sr +mp-1200408,SrMo2Se2O11,-7.23653993,-1.9374029017,0.0,-0.0139757452,GGA+U,P-1,A2B11C2D_aP32_2_2i_11i_2i_i:Mo-O-Se-Sr,32.0,A2B11C2D_aP32_2_2i_11i_2i_i:Mo-O-Se-Sr +mp-4092,SrSeO4,-6.3140443042,-2.1520176748,0.0,-0.221177869,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Se-Sr,24.0,A4BC_mP24_14_4e_e_e:O-Se-Sr +mp-3395,SrSeO3,-6.32210198,-2.3170077671,0.0,-0.1503599587,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:O-Se-Sr,10.0,A3BC_mP10_11_ef_e_e:O-Se-Sr +mp-555098,SrSeO3,-6.3214944575,-2.3164002446,0.0006075225,-0.1497524362,GGA,Pnma,A3BC_oP20_62_cd_c_c:O-Se-Sr,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c4d_c_c:O-Se-Sr, expected SrSeO11 to be SrSeO3" +mp-28346,SrSe2O5,-6.0981731369,-1.9213281413,0.0,-0.0400763731,GGA,P-1,A5B2C_aP32_2_10i_4i_2i:O-Se-Sr,32.0,A5B2C_aP32_2_10i_4i_2i:O-Se-Sr +mp-1196890,ScRhO3,-8.2164136822,-2.5090450605,0.0246142639,0.0246142639,GGA,P2_1/c,A3BC_mP40_14_6e_abcd_2e:O-Rh-Sc,40.0,A3BC_mP40_14_6e_abcd_2e:O-Rh-Sc +mp-1188449,ScRhO3,-8.189887848,-2.4825192262,0.0511400981,0.0511400981,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Sc,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Sc +mp-18247,Sr3ScRhO6,-7.3499158955,-2.945789568,0.0,-0.0566804304,GGA,R-3c,A6BCD3_hR66_167_f_b_a_e:O-Rh-Sc-Sr,22.0,A6BCD3_hR66_167_f_b_a_e:O-Rh-Sc-Sr +mp-997022,AgAsO2,-5.5101647888,-1.163901831,0.0463480533,0.0463480533,GGA,C2,ABC2_mC16_5_c_c_2c:Ag-As-O,8.0,ABC2_mC16_5_c_c_2c:Ag-As-O +mp-1197075,Zn3Ag(AsO4)3,-5.6863673087,-1.4785038043,0.0901856009,0.0901856009,GGA,C2/c,AB3C12D3_mC76_15_e_ef_6f_ef:Ag-As-O-Zn,38.0,AB3C12D3_mC76_15_e_ef_6f_ef:Ag-As-O-Zn +mp-729516,Ag2As2O7,-5.6333407591,-1.1233253231,0.0399210076,0.0399210076,GGA,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:Ag-As-O,44.0,A2B2C7_mP44_14_2e_2e_7e:Ag-As-O +mp-1229124,Ag3AsO4,-5.0878547637,-0.9699121062,0.0,-0.0520750819,GGA,R3c,A3BC4_hR48_161_b_a_ab:Ag-As-O,16.0,"Invalid WP multiplicities - A3BC4_hR48_161_b_a_2a3b:Ag-As-O, expected Ag3AsO11 to be Ag3AsO4" +mp-5408,Ag3AsO4,-5.0878533975,-0.96991074,1.3662000000000002e-06,-0.0520737156,GGA,P-43n,A3BC4_cP16_218_c_a_e:Ag-As-O,16.0,A3BC4_cP16_218_c_a_e:Ag-As-O +mp-775767,AgAsO3,-5.7038320395,-1.2374839311,0.0372678645,0.008486914,GGA,C2/c,ABC3_mC40_15_2e_f_3f:Ag-As-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_9f:Ag-As-O, expected Ag3(AsO9)2 to be AgAsO3" +mp-558950,AgAsO3,-5.7153345898,-1.2489864813,0.0257653143,-0.0030156362,GGA,Pca2_1,ABC3_oP120_29_6a_6a_18a:Ag-As-O,120.0,"Invalid WP multiplicities - ABC3_oP120_29_22a_21a_68a:Ag-As-O, expected Ag22As21O68 to be AgAsO3" +mp-1178563,AgAsO3,-5.741099904,-1.2747517956,0.0,-0.0287809505,GGA,R-3,ABC3_hR30_148_c_c_f:Ag-As-O,10.0,ABC3_hR30_148_c_c_f:Ag-As-O +mp-35320,Ag3(AsO4)2,-5.4411575331,-1.0265871862,0.0294460095,0.0294460095,GGA,R3,A3B2C8_hR39_146_b_2a_2a2b:Ag-As-O,13.0,"Invalid WP multiplicities - A3B2C8_hR39_146_b_2a_2a3b:Ag-As-O, expected Ag3As2O11 to be Ag3(AsO4)2" +mp-1215023,Ag2AsO2,-4.202912983,-0.1593914162,0.8088084913,0.8088084913,GGA,Fddd,A2BC2_oF80_70_h_c_h:Ag-As-O,20.0,A2BC2_oF80_70_h_c_h:Ag-As-O +mp-1357139,ZnAgAsO5,-5.4391690291,-1.2535613322,0.0673832635,0.0673832635,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:Ag-As-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:Ag-As-O-Zn +mp-1228932,Ba11(Bi3O10)3,-6.3542988298,-2.2728230729,0.0003441231,0.0003441231,GGA,P-1,A11B9C30_aP50_2_a5i_d4i_15i:Ba-Bi-O,50.0,"Invalid WP multiplicities - A11B9C30_aP50_2_a9i_d6i_30i:Ba-Bi-O, expected Ba19Bi13O60 to be Ba11(Bi3O10)3" +mp-675450,BaBi4O7,-6.1189588842,-1.7933128476,0.1081834923,0.1081834923,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Ba-Bi-O,12.0,AB4C7_mC24_8_a_4a_7a:Ba-Bi-O +mp-1048165,BaBi4O7,-5.8643105438,-1.5386645072,0.3628318327,0.3628318327,GGA,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Bi-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Bi-O +mp-758120,Ba13Bi11O36,-6.3563905805,-2.2685097763,0.0,-0.0004704347,GGA,P-1,A13B11C36_aP60_2_b6i_d5i_18i:Ba-Bi-O,60.0,"Invalid WP multiplicities - A13B11C36_aP60_2_b11i_d10i_35i:Ba-Bi-O, expected Ba23(Bi3O10)7 to be Ba13Bi11O36" +mp-867542,Ba8(Bi2O7)3,-6.3501490534,-2.2851434181,0.0,-0.0047244889,GGA,P-1,A8B6C21_aP70_2_8i_ad5i_21i:Ba-Bi-O,70.0,"Invalid WP multiplicities - A8B6C21_aP70_2_15i_ad9i_41i:Ba-Bi-O, expected Ba15Bi10O41 to be Ba8(Bi2O7)3" +mp-1079891,Ba2Br2O,-5.184218913,-2.8060798627,0.0,-0.0361501143,GGA,Ibam,A2B2C_oI20_72_j_j_a:Ba-Br-O,10.0,A2B2C_oI20_72_j_j_a:Ba-Br-O +mp-685509,Ba25(Bi5O18)3,-6.2687490493,-2.303824572,0.0690831068,0.0690831068,GGA,Cm,A25B15C54_mC188_8_25a_15a_14a20b:Ba-Bi-O,94.0,"Invalid WP multiplicities - A25B15C54_mC188_8_25a_15a_14a40b:Ba-Bi-O, expected Ba25Bi15O94 to be Ba25(Bi5O18)3" +mp-771008,Ba3(BrO)2,-5.4459007407,-2.7664208975,0.0448586771,0.0448586771,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:Ba-Br-O,56.0,"Invalid WP multiplicities - A3B2C2_mP56_14_21e_15e_13e:Ba-Br-O, expected Ba21Br15O13 to be Ba3(BrO)2" +mp-752648,Ba3(BrO)2,-5.455482975,-2.7760031318,0.0352764429,0.0352764429,GGA,P2_1/c,A3B2C2_mP14_14_ae_e_e:Ba-Br-O,14.0,A3B2C2_mP14_14_ae_e_e:Ba-Br-O +mp-771161,Ba3(BrO)2,-5.4502392332,-2.7707593900000003,0.0405201846,0.0405201846,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Br-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Br-O, expected Ba9Br5O2 to be Ba3(BrO)2" +mp-756942,Ba3(BrO)2,-5.4537008475,-2.7742210043,0.0370585704,0.0370585704,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Br-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Br-O, expected Ba9Br5O2 to be Ba3(BrO)2" +mp-779533,Ba3(BrO)2,-5.4438080064,-2.7643281632,0.0469514114,0.0469514114,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Br-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Br-O, expected Ba9Br5O2 to be Ba3(BrO)2" +mp-674537,Ba2Bi6O11,-6.0011179953,-1.7224621803,0.241978285,0.241978285,GGA,C2/m,A2B6C11_mC38_12_i_3i_a5i:Ba-Bi-O,19.0,"Invalid WP multiplicities - A2B6C11_mC38_12_i_6i_a8i:Ba-Bi-O, expected Ba2Bi12O17 to be Ba2Bi6O11" +mp-1228030,Ba4Bi2O,-4.4333935171,-1.5328839841000002,0.0,-0.0667243036,GGA,I4mm,A4B2C_tI14_107_2ab_2a_a:Ba-Bi-O,7.0,A4B2C_tI14_107_2ab_2a_a:Ba-Bi-O +mp-726134,BaBr2O7,-4.765769141,-0.8005838831000001,0.2680129611,0.2680129611,GGA,C2/c,AB2C7_mC40_15_e_f_e3f:Ba-Br-O,20.0,AB2C7_mC40_15_e_f_e3f:Ba-Br-O +mp-35915,BaBi2O5,-6.1366173213,-1.8449427267,0.1115421812,0.1115421812,GGA,P4/mmm,AB2C5_tP8_123_c_g_bi:Ba-Bi-O,8.0,"Invalid WP multiplicities - AB2C5_tP8_123_c_g_b2i:Ba-Bi-O, expected BaBi2O9 to be BaBi2O5" +mp-758088,Ba6Bi6O17,-6.3020721997,-2.2106759062,0.050816186,0.050816186,GGA,Immm,A6B6C17_oI58_71_bcef_gn_aefko:Ba-Bi-O,29.0,"Invalid WP multiplicities - A6B6C17_oI58_71_bc2e2f_2g2n_a2e2f3k4o:Ba-Bi-O, expected Ba10Bi12O53 to be Ba6Bi6O17" +mp-644369,BaBiO3,-5.417050556,-1.2971445153,0.946954908,0.9247344062,GGA,P1,ABC3_aP10_1_2a_2a_6a:Ba-Bi-O,10.0,ABC3_aP10_1_2a_2a_6a:Ba-Bi-O +mp-1182285,BaBiO3,-5.720806651,-1.6009006103,0.643198813,0.6209783112,GGA,P1,ABC3_aP10_1_2a_2a_6a:Ba-Bi-O,10.0,ABC3_aP10_1_2a_2a_6a:Ba-Bi-O +mp-22942,BaBiO3,-6.36393313,-2.2440270893,7.2334e-05,-0.0221481678,GGA,C2/m,ABC3_mC20_12_i_ad_ij:Ba-Bi-O,10.0,ABC3_mC20_12_i_ad_ij:Ba-Bi-O +mp-559051,BaBiO3,-6.364005464,-2.2440994233,0.0,-0.0222205018,GGA,P2_1/c,ABC3_mP20_14_e_ad_3e:Ba-Bi-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2a2d_6e:Ba-Bi-O, expected Ba(BiO3)2 to be BaBiO3" +mp-23482,BaBiO3,-6.362595421,-2.2426893803,0.001410043,-0.0208104588,GGA,R-3,ABC3_hR30_148_c_ab_f:Ba-Bi-O,10.0,ABC3_hR30_148_c_ab_f:Ba-Bi-O +mp-1227955,BaBiO3,-6.34115627,-2.2212502292,0.022849194,0.0006286922,GGA,R32,ABC3_hR15_155_a_b_d:Ba-Bi-O,5.0,ABC3_hR15_155_a_b_d:Ba-Bi-O +mp-545783,BaBiO3,-6.342794462,-2.2228884212,0.021211002,-0.0010094998,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Bi-O,5.0,ABC3_cP5_221_a_b_c:Ba-Bi-O +mp-23438,BaBiO3,-6.339119297,-2.2192132562,0.024886167,0.0026656652,GGA,Fm-3m,ABC3_cF40_225_c_ab_e:Ba-Bi-O,10.0,ABC3_cF40_225_c_ab_e:Ba-Bi-O +mp-554626,Ba(BrO3)2,-5.0434591456,-1.1873298269,0.0,-0.2993136332,GGA,C2/c,AB2C6_mC36_15_e_f_3f:Ba-Br-O,18.0,"Invalid WP multiplicities - AB2C6_mC36_15_e_f_6f:Ba-Br-O, expected Ba(BrO6)2 to be Ba(BrO3)2" +mp-28514,Ba(BrO3)2,-5.0379408367,-1.1818115181,0.0055183089,-0.2937953243,GGA,Fdd2,AB2C6_oF72_43_a_b_3b:Ba-Br-O,18.0,"Invalid WP multiplicities - AB2C6_oF72_43_a_b_4b:Ba-Br-O, expected Ba(BrO4)2 to be Ba(BrO3)2" +mp-1048204,Ba2Bi3O7,-6.1415211317,-1.9760012776,0.167907879,0.167907879,GGA,Pmm2,A2B3C7_oP12_25_e_bf_ae2f:Ba-Bi-O,12.0,A2B3C7_oP12_25_e_bf_ae2f:Ba-Bi-O +mp-561172,BaBi4(BrO3)2,-5.6491786231,-1.7978616702,0.1286607058,0.1286607058,GGA,I4/mmm,AB4C2D6_tI26_139_a_2e_e_dg:Ba-Bi-Br-O,13.0,AB4C2D6_tI26_139_a_2e_e_dg:Ba-Bi-Br-O +mp-1079338,Ba(BrO)2,-3.837025288,-0.8533434835,0.9137193753,0.9137193753,GGA,C2/c,AB2C2_mC20_15_e_f_f:Ba-Br-O,10.0,AB2C2_mC20_15_e_f_f:Ba-Br-O +mp-1227974,BaBi2(BrO)2,-4.6937657929,-1.4652818954,0.4892104971,0.4892104971,GGA,I4mm,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-Br-O,7.0,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-Br-O +mp-28670,Ba2Bi2O5,-6.3281837672,-2.3001424676,0.0,-0.083179655,GGA,P2_1/c,A2B2C5_mP18_14_e_e_a2e:Ba-Bi-O,18.0,A2B2C5_mP18_14_e_e_a2e:Ba-Bi-O +mp-765612,Ba8Bi4O17,-6.3177210338,-2.3588429603,0.0091233133,0.0091233133,GGA,Cm,A8B4C17_mC58_8_2a3b_4a_11a3b:Ba-Bi-O,29.0,"Invalid WP multiplicities - A8B4C17_mC58_8_2a6b_4a_11a6b:Ba-Bi-O, expected Ba14Bi4O23 to be Ba8Bi4O17" +mp-1101629,Ba8Bi4O17,-6.3041690769,-2.3452910034,0.0226752702,0.0226752702,GGA,I4mm,A8B4C17_tI58_107_2a3b_4a_5a3c:Ba-Bi-O,29.0,"Invalid WP multiplicities - A8B4C17_tI58_107_2a4b_4a_5a10c:Ba-Bi-O, expected Ba10Bi4O45 to be Ba8Bi4O17" +mp-1047467,Ba(BiO2)4,-5.93768052,-1.56426197,0.2903858887,0.2903858887,GGA,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Bi-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Bi-O +mp-726676,BaBr2O,-3.9378468762,-1.4449167984,0.6482458908000001,0.6482458908000001,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-Br-O,16.0,AB2C_oP16_62_c_2c_c:Ba-Br-O +mp-1188828,BaBr2O,-4.2404279656,-1.7474978878,0.3456648015,0.3456648015,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-Br-O,16.0,AB2C_oP16_62_c_2c_c:Ba-Br-O +mp-761784,Ba8Bi10O27,-6.2597465942,-2.0971402381,0.0823157673,0.0823157673,GGA,R-3,A8B10C27_hR135_148_cf_abcf_d4f:Ba-Bi-O,45.0,"Invalid WP multiplicities - A8B10C27_hR135_148_2c3f_ab2c3f_3d21f:Ba-Bi-O, expected Ba22(Bi8O45)3 to be Ba8Bi10O27" +mp-755667,Ba4Bi3O11,-6.26939886,-2.1799020281,0.0520209678,0.0520209678,GGA,Amm2,A4B3C11_oC36_38_f_2ab_2ab2cde:Ba-Bi-O,18.0,"Invalid WP multiplicities - A4B3C11_oC36_38_f_2ab_2ab2c2d2e:Ba-Bi-O, expected Ba4(BiO5)3 to be Ba4Bi3O11" +mp-674987,Ba5Bi5O13,-6.2795012404,-2.2314893449,0.0564698522,0.0564698522,GGA,C2,A5B5C13_mC92_5_5c_ab4c_13c:Ba-Bi-O,46.0,"Invalid WP multiplicities - A5B5C13_mC92_5_10c_ab7c_22c:Ba-Bi-O, expected Ba5Bi4O11 to be Ba5Bi5O13" +mp-532092,Ba16Bi16O45,-6.274705753,-2.1870120241,0.0767388563,0.0767388563,GGA,Pmm2,A16B16C45_oP77_25_8f_8a8c_8a6b8c7d8e:Ba-Bi-O,77.0,"Invalid WP multiplicities - A16B16C45_oP77_25_12f_8a8c_8a6b8c7d15e:Ba-Bi-O, expected Ba24Bi16O59 to be Ba16Bi16O45" +mp-753124,Ba5Bi3O11,-6.2937150779,-2.3184562403,0.0477862211,0.0477862211,GGA,Amm2,A5B3C11_oC38_38_af_a2b_a2b2cde:Ba-Bi-O,19.0,"Invalid WP multiplicities - A5B3C11_oC38_38_a2f_a2b_a2b4cde:Ba-Bi-O, expected Ba3BiO5 to be Ba5Bi3O11" +mp-1193601,BaBr2O11,-4.3093666318,-0.0637518158,0.6995316444,0.6995316444,GGA,P6_3/m,AB2C11_hP28_176_b_f_fhi:Ba-Br-O,28.0,AB2C11_hP28_176_b_f_fhi:Ba-Br-O +mp-1206552,BaBiBrO2,-5.794382491,-2.3532085265,0.0,-0.1006685382,GGA,Cmcm,ABCD2_oC20_63_c_c_c_e:Ba-Bi-Br-O,10.0,ABCD2_oC20_63_c_c_c_e:Ba-Bi-Br-O +mp-1227937,BaBiBrO2,-5.695481336,-2.2543073715,0.098901155,-0.0017673832,GGA,I4mm,ABCD2_tI10_107_a_a_a_b:Ba-Bi-Br-O,5.0,ABCD2_tI10_107_a_a_a_b:Ba-Bi-Br-O +mp-1228075,BaBi2Br2O5,-5.153382512,-1.4094371704,0.3351019493,0.3351019493,GGA,I4mm,AB2C2D5_tI20_107_a_2a_2a_a2b:Ba-Bi-Br-O,10.0,AB2C2D5_tI20_107_a_2a_2a_a2b:Ba-Bi-Br-O +mp-779551,Ba4Br6O,-4.6455794884,-2.6509650837,0.0992013534,0.0627052575,GGA,P2_12_12_1,A4B6C_oP44_19_4a_6a_a:Ba-Br-O,44.0,"Invalid WP multiplicities - A4B6C_oP44_19_13a_21a_a:Ba-Br-O, expected Ba13Br21O to be Ba4Br6O" +mp-752424,Ba4Br6O,-4.6591727114,-2.6645583067,0.0856081305,0.0491120345,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:Ba-Br-O,22.0,"Invalid WP multiplicities - A4B6C_tP22_137_g_2d3f_a:Ba-Br-O, expected Ba4Br16O to be Ba4Br6O" +mp-555218,Ba4Br6O,-4.7447808418,-2.7501664372,0.0,-0.0364960959,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ba-Br-O,22.0,"Invalid WP multiplicities - A4B6C_hP22_186_2b3c_6c_b:Ba-Br-O, expected Ba11Br18O to be Ba4Br6O" +mp-676617,Ba5(Bi2O3)7,-5.62126281,-1.4402081736,0.4423562827,0.4423562827,GGA,P1,A5B14C21_aP40_1_5a_14a_21a:Ba-Bi-O,40.0,A5B14C21_aP40_1_5a_14a_21a:Ba-Bi-O +mp-19832,BaCoS2,-5.7049880838,-1.3799399666,0.1446142439,0.1446142439,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ba-Co-S,8.0,ABC2_tP8_129_c_c_ac:Ba-Co-S +mp-1228387,Ba2CoNiS4,-5.571354975,-1.4123294972,0.0985761466,0.0985761466,GGA,P4mm,A2BCD4_tP8_99_ab_a_b_abc:Ba-Co-Ni-S,8.0,A2BCD4_tP8_99_ab_a_b_abc:Ba-Co-Ni-S +mp-7486,BaNiS2,-5.4311154975,-1.4381126591,0.0395671529,0.0395671529,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ba-Ni-S,8.0,ABC2_tP8_129_c_c_ac:Ba-Ni-S +mp-4544,Ba2CoS3,-5.4966496429,-1.6040467636,0.1890024255,0.1890024255,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Co-S,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_2c_c_4c:Ba-Co-S, expected Ba2CoS4 to be Ba2CoS3" +mp-541376,Ba6Co25S27,-6.1410433788,-0.9530099146,0.0802029065,0.0802029065,GGA,Pm-3m,A6B25C27_cP58_221_e_bm_afgh:Ba-Co-S,58.0,A6B25C27_cP58_221_e_bm_afgh:Ba-Co-S +mp-9415,Ba6Ni25S27,-5.5498854183,-0.934343814,0.0263996446,0.0263996446,GGA,Pm-3m,A6B25C27_cP58_221_e_bm_afgh:Ba-Ni-S,58.0,"Invalid WP multiplicities - A6B25C27_cP58_221_e_b2m_afg2h:Ba-Ni-S, expected Ba6Ni49S39 to be Ba6Ni25S27" +mp-1228155,Ba4CoNi3S8,-5.5048906994,-1.4288765413,0.0693727733,0.0693727733,GGA,Amm2,A4BC3D8_oC32_38_2ae_a_ae_2a2bde:Ba-Co-Ni-S,16.0,A4BC3D8_oC32_38_2ae_a_ae_2a2bde:Ba-Co-Ni-S +mp-1042609,CoSb2O7,-6.3764960738,-1.3771819484,0.2563207369,0.2563207369,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-Sb,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_2e_17e_7e:Co-O-Sb, expected Co2Sb7O17 to be CoSb2O7" +mp-1226060,Co4SbO8,-6.9018005662,-1.35289425,0.1011624956,0.1011624956,GGA+U,C2/m,A4B8C_mC26_12_fi_2ij_a:Co-O-Sb,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_ei_4i2j_a:Co-O-Sb, expected Co4SbO16 to be Co4SbO8" +mp-1640280,Co3SbO8,-6.6865614137,-1.2676060542,0.0890495423,0.0890495423,GGA+U,P1,A3B8C_aP24_1_6a_16a_2a:Co-O-Sb,24.0,A3B8C_aP24_1_6a_16a_2a:Co-O-Sb +mp-761540,Co3SbO8,-6.6775535933,-1.2585982337,0.0980573627,0.0980573627,GGA+U,Cc,A3B8C_mC48_9_3a_8a_a:Co-O-Sb,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-Sb, expected Co3SbO30 to be Co3SbO8" +mp-752854,Co3SbO8,-6.68823616,-1.2692808004,0.087374796,0.087374796,GGA+U,R-3m,A3B8C_hR36_166_d_ch_b:Co-O-Sb,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_c2h_b:Co-O-Sb, expected Co3SbO14 to be Co3SbO8" +mp-757530,Co3SbO8,-6.6925575979000005,-1.2736022383,0.0830533581,0.0830533581,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-Sb,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-Sb, expected Co3SbO30 to be Co3SbO8" +mp-1183681,CoSbO3,-6.28937231,-1.0738952763,0.5800262839,0.5800262839,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Sb,5.0,AB3C_cP5_221_b_c_a:Co-O-Sb +mp-1202934,Ag3SbO4,-5.0523202484,-1.0006422366,0.0145694291,0.0145694291,GGA,P4_122,A3B4C_tP32_91_a2b_2d_a:Ag-O-Sb,32.0,A3B4C_tP32_91_a2b_2d_a:Ag-O-Sb +mp-1201975,Co(SbO9)2,-4.8222282401,0.1495201922,0.9273786137,0.9273786137,GGA+U,P3,AB18C2_hP126_143_2d_36d_2a2b2c2d:Co-O-Sb,126.0,AB18C2_hP126_143_2d_36d_2a2b2c2d:Co-O-Sb +mp-766328,Ag7Sb9O25,-5.8444263641,-1.4381795114,0.0520480727,0.0520480727,GGA,R3m,A7B25C9_hR123_160_a2b_a8b_3a2b:Ag-O-Sb,41.0,"Invalid WP multiplicities - A7B25C9_hR123_160_a3b_a22b_3a3b:Ag-O-Sb, expected Ag10Sb12O67 to be Ag7Sb9O25" +mp-1273356,CoAgO3,-5.70605926,-0.7498712736,0.0822123195,0.0822123195,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Ag-Co-O,20.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Ag-Co-O, expected CoAgO5 to be CoAgO3" +mp-752700,CoAgO3,-5.325607808,-0.3694198216,0.4626637715,0.4626637715,GGA+U,C2/c,ABC3_mC40_15_f_2e_3f:Ag-Co-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_3e_11f:Ag-Co-O, expected Co3(AgO11)2 to be CoAgO3" +mp-753992,CoAgO3,-5.695152451,-0.7389644646,0.0931191285,0.0931191285,GGA+U,R-3,ABC3_hR30_148_c_c_f:Ag-Co-O,10.0,ABC3_hR30_148_c_c_f:Ag-Co-O +mp-677054,AgSbO3,-5.7311205577,-1.3707958823,0.0597553393,-0.0208312139,GGA,P1,AB3C_aP60_1_12a_36a_12a:Ag-O-Sb,60.0,AB3C_aP60_1_12a_36a_12a:Ag-O-Sb +mp-860791,AgSbO3,-5.7472157047,-1.3868910293,0.0436601923,-0.0369263609,GGA,C2,AB3C_mC60_5_3c_2a8c_2b2c:Ag-O-Sb,30.0,"Invalid WP multiplicities - AB3C_mC60_5_4c_2a12c_2b4c:Ag-O-Sb, expected Ag4Sb5O13 to be AgSbO3" +mp-545999,AgSbO3,-5.790875897,-1.4305512216,0.0,-0.0805865532,GGA,R-3,AB3C_hR30_148_c_f_c:Ag-O-Sb,10.0,AB3C_hR30_148_c_f_c:Ag-O-Sb +mp-540872,AgSbO3,-5.7839871810000005,-1.4236625056,0.006888716,-0.0736978372,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Ag-O-Sb,20.0,AB3C_cF80_227_c_f_d:Ag-O-Sb +mp-753001,CoAgO2,-5.8986978625,-0.9401350573,0.0749874388,-0.0257004079,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ag-Co-O,4.0,ABC2_hR12_166_a_b_c:Ag-Co-O +mp-19178,CoAgO2,-5.9736853012,-1.015122496,0.0,-0.1006878467,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Co-O,8.0,ABC2_hP8_194_c_a_f:Ag-Co-O +mp-1078847,CoAgO2,-5.3360293813,-0.377466576,0.63765592,0.5369680733000001,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Ag-Co-O,8.0,ABC2_hP8_194_a_c_f:Ag-Co-O +mp-1106049,CoAgO2,-5.8963494969,-0.9377866917,0.0773358044,-0.0233520423,GGA+U,P6_3/mmc,ABC2_hP16_194_ac_f_ef:Ag-Co-O,16.0,ABC2_hP16_194_ac_f_ef:Ag-Co-O +mp-859114,Co2SbO6,-6.6922186444000005,-1.3560220781,0.0923029958,0.0923029958,GGA+U,Cmce,A2B6C_oC36_64_d_fg_a:Co-O-Sb,18.0,"Invalid WP multiplicities - A2B6C_oC36_64_d_2f2g_a:Co-O-Sb, expected Co2SbO12 to be Co2SbO6" +mp-21908,Co(SbO3)2,-6.8201643772,-1.8150029836,0.0,-0.1613922117,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Co-O-Sb,36.0,AB6C2_tP18_136_a_fj_e:Co-O-Sb +mp-1181748,Co2Ag3SbO6,-5.8843007347,-1.1740143091,0.0141730578,0.0141730578,GGA+U,P3_112,A3B2C6D_hP36_151_3b_2a_3c_a:Ag-Co-O-Sb,36.0,A3B2C6D_hP36_151_3b_2a_3c_a:Ag-Co-O-Sb +mp-1193389,Co(SbO2)2,-6.6529395364,-1.6310716621,0.0,-0.0049003962,GGA+U,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Co-O-Sb,28.0,AB4C2_tP28_135_d_gh_h:Co-O-Sb +mp-1215022,AgSbO12,-4.8083330643,-0.0710600801,0.4398510704,0.4398510704,GGA,P4_2/n,AB12C_tP28_86_a_3g_b:Ag-O-Sb,28.0,AB12C_tP28_86_a_3g_b:Ag-O-Sb +mp-1214924,AgSbO12,-4.1790637307,0.5582092535000001,1.069120404,1.069120404,GGA,Fd-3m,AB12C_cF112_227_a_g_b:Ag-O-Sb,28.0,AB12C_cF112_227_a_g_b:Ag-O-Sb +mp-758123,CoSbO4,-6.7140593442,-1.5433803642,0.0882836646,0.0882836646,GGA+U,Imma,AB4C_oI24_74_a_hi_c:Co-O-Sb,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_3h2i_c:Co-O-Sb, expected CoSbO10 to be CoSbO4" +mp-774401,CoSbO4,-6.68779245,-1.51711347,0.1145505588,0.1145505588,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Co-O-Sb,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Co-O-Sb, expected CoSbO8 to be CoSbO4" +mp-753116,Co5SbO12,-6.7036090806,-1.2018949278,0.0630911913,0.0630911913,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Co-O-Sb,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2gh_4i5j_c:Co-O-Sb, expected Co7SbO28 to be Co5SbO12" +mp-1192102,Co2Sb2O7,-6.7781763114,-1.5871345797,0.1397133148,0.1397133148,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Co-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Co-O-Sb +mp-33332,Co5SbO8,-7.1569085886,-1.4966157382,0.0,-0.0177021564,GGA+U,R-3m,A5B8C_hR42_166_cd_ch_a:Co-O-Sb,14.0,"Invalid WP multiplicities - A5B8C_hR42_166_2cd_c2h_a:Co-O-Sb, expected Co7SbO14 to be Co5SbO8" +mp-1299486,Co5SbO8,-7.151527165,-1.4912343146,0.0053814236,-0.0123207329,GGA+U,C2/m,A5B8C_mC56_12_adef2i_4i2j_i:Co-O-Sb,28.0,"Invalid WP multiplicities - A5B8C_mC56_12_ac2e2f4i_8i8j_i:Co-O-Sb, expected Co9SbO24 to be Co5SbO8" +mp-1275116,Co5SbO8,-7.1454033975,-1.4851105471,0.0115051911,-0.0061969654,GGA+U,C2/c,A5B8C_mC56_15_abcf_4f_e:Co-O-Sb,28.0,"Invalid WP multiplicities - A5B8C_mC56_15_2a2bc2f_10f_e:Co-O-Sb, expected Co9SbO20 to be Co5SbO8" +mp-1311663,Co5SbO8,-7.139601985,-1.4793091346,0.0173066036,-0.0003955529,GGA+U,C2/c,A5B8C_mC56_15_abef_4f_c:Co-O-Sb,28.0,"Invalid WP multiplicities - A5B8C_mC56_15_2c2d2e2f_10f_a:Co-O-Sb, expected Co10SbO20 to be Co5SbO8" +mp-1304367,Co5SbO8,-7.1459207943,-1.4856279439,0.0109877943,-0.0067143621,GGA+U,C2/c,A5B8C_mC56_15_abcf_4f_e:Co-O-Sb,28.0,"Invalid WP multiplicities - A5B8C_mC56_15_ab2c2f_10f_e:Co-O-Sb, expected Co8SbO20 to be Co5SbO8" +mp-759787,Co7(SbO6)2,-7.115781845,-1.5264251031,0.0115190288,-0.0142713926,GGA+U,C2,A7B12C2_mC84_5_ab6c_12c_2c:Co-O-Sb,42.0,"Invalid WP multiplicities - A7B12C2_mC84_5_ab12c_24c_3c:Co-O-Sb, expected Co13(SbO8)3 to be Co7(SbO6)2" +mp-1226238,Co7(SbO6)2,-7.0926783117,-1.5033215698,0.0346225621,0.0088321407,GGA+U,C2/m,A7B12C2_mC84_12_e4ij_6i3j_adi:Co-O-Sb,42.0,"Invalid WP multiplicities - A7B12C2_mC84_12_2e6i2j_12i12j_aci:Co-O-Sb, expected Co6SbO18 to be Co7(SbO6)2" +mp-685142,Co7(SbO6)2,-7.1273008738,-1.5379441319,0.0,-0.0257904214,GGA+U,C2/c,A7B12C2_mC84_15_ace2f_6f_f:Co-O-Sb,42.0,"Invalid WP multiplicities - A7B12C2_mC84_15_2a2c2e5f_21f_f:Co-O-Sb, expected Co8SbO21 to be Co7(SbO6)2" +mp-3120,Tm2Cu2O5,-7.3023676989,-2.6486423941,0.0448284803,0.0448284803,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Tm,36.0,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Tm +mp-554270,TmMnO3,-8.7547630775,-3.0591797077,0.0410788485,0.0042717237,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_4c5d_c:Mn-O-Tm, expected TmMnO14 to be TmMnO3" +mp-554211,TmMnO3,-8.795841926,-3.1002585562,0.0,-0.0368071248,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mn-O-Tm,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_2a4b9c_2a3b:Mn-O-Tm, expected Tm8Mn3O37 to be TmMnO3" +mp-676104,Tm2CuO4,-7.6386805307,-2.9475901933,0.2458920482,0.2458920482,GGA,P2_1/c,AB4C2_mP14_14_a_2e_e:Cu-O-Tm,14.0,"Invalid WP multiplicities - AB4C2_mP14_14_a_7e_e:Cu-O-Tm, expected Tm2CuO14 to be Tm2CuO4" +mp-1100986,Tm2CuO4,-7.8509244607,-3.1598341233,0.0336481182,0.0336481182,GGA,P2_1/c,AB4C2_mP14_14_a_2e_e:Cu-O-Tm,14.0,"Invalid WP multiplicities - AB4C2_mP14_14_a_7e_e:Cu-O-Tm, expected Tm2CuO14 to be Tm2CuO4" +mp-1216598,Tm2CuO4,-7.8139687286,-3.1228783912,0.0706038504,0.0706038504,GGA,Fmm2,AB4C2_oF28_42_a_bc_d:Cu-O-Tm,7.0,AB4C2_oF28_42_a_bc_d:Cu-O-Tm +mp-1207725,TmMn2O5,-8.6033268081,-2.6616631127,0.0,-0.0169919339,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Tm,32.0,A2B5C_oP32_55_eg_fghi_h:Mn-O-Tm +mp-557341,TmMn4(CuO4)3,-7.481550506,-1.8424614492,0.0485446489,0.0485446489,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Tm,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Tm +mp-755041,Tm2Mn2O7,-8.5585313791,-2.9310293419,0.0,-0.0649328276,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Tm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Mn-O-Tm, expected TmMnO10 to be Tm2Mn2O7" +mp-754220,Tm(CuO2)2,-6.7371280771,-2.0998418474,0.0,-0.0705061479,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Tm,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Tm +mp-1215110,Co(MoO6)3,-6.2830856339,-0.4337372281,0.7640471153,0.7640471153,GGA+U,P2_1/c,AB3C18_mP88_14_e_3e_18e:Co-Mo-O,88.0,AB3C18_mP88_14_e_3e_18e:Co-Mo-O +mp-1183772,CoMoO3,-7.612427734,-1.0536209262,0.6738278065000001,0.6738278065000001,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Co-Mo-O,5.0,ABC3_cP5_221_a_b_c:Co-Mo-O +mp-1105747,CoMo4O15,-7.754334892,-1.5197724468,0.1828955653,0.1828955653,GGA+U,P-1,AB4C15_aP20_2_a_2i_e7i:Co-Mo-O,20.0,AB4C15_aP20_2_a_2i_e7i:Co-Mo-O +mp-1226415,Co4Mo4O19,-7.4266909348,-1.2858406706,0.3244241161,0.3244241161,GGA+U,P1,A4B4C19_aP27_1_4a_4a_19a:Co-Mo-O,27.0,A4B4C19_aP27_1_4a_4a_19a:Co-Mo-O +mp-17824,Co2Mo3O8,-8.3011162477,-1.6605704315,0.1349447592,0.1349447592,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Co-Mo-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Co-Mo-O, expected Co2(MoO4)3 to be Co2Mo3O8" +mp-17289,CoMoO4,-7.9936786279,-1.7035581696,0.0084648635,0.0084648635,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Co-Mo-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_gi_hi_4i12j:Co-Mo-O, expected CoMoO14 to be CoMoO4" +mp-19435,CoMoO4,-7.892351675,-1.6022312167,0.1097918165,0.1097918165,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Co-Mo-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_4g:Co-Mo-O, expected CoMoO8 to be CoMoO4" +mp-1200291,GaCo(Mo3O20)2,-6.0552748873,-0.366152743,0.7836476,0.7836476,GGA+U,P-1,ABC6D40_aP48_2_b_c_3i_20i:Co-Ga-Mo-O,48.0,ABC6D40_aP48_2_b_c_3i_20i:Co-Ga-Mo-O +mp-1182727,Co(Mo3O17)2,-6.6175259248,-0.7548519092,0.4514302766,0.4514302766,GGA+U,P2_1/c,AB6C34_mP82_14_a_3e_17e:Co-Mo-O,82.0,AB6C34_mP82_14_a_3e_17e:Co-Mo-O +mp-698589,Ga2CoO4,-6.4870549693,-1.7797314429000002,0.2471324732,0.2086733768,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Co-Ga-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a6b_16a13b:Co-Ga-O, expected Ga10Co4O21 to be Ga2CoO4" +mp-38802,Ga2CoO4,-6.7176388875,-2.0103153611,0.016548555,-0.0219105414,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Co-Ga-O,28.0,AB2C4_oI28_74_a_ce_hi:Co-Ga-O +mp-765466,Ga2CoO4,-6.7341874425,-2.0268639161,0.0,-0.0384590964,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Ga-O,28.0,AB2C4_cF56_227_a_d_e:Co-Ga-O +mp-1213876,Co4(MoO4)3,-7.6791008121,-1.3459173361,0.326766537,0.326766537,GGA+U,Pnma,A4B3C12_oP76_62_2cd_cd_2c5d:Co-Mo-O,76.0,A4B3C12_oP76_62_2cd_cd_2c5d:Co-Mo-O +mp-772352,In2Co2O7,-6.3777161173,-1.437095751,0.0609966882,0.0609966882,GGA+U,Fd-3m,A2B2C7_cF88_227_d_c_af:Co-In-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2af:Co-In-O, expected InCoO4 to be In2Co2O7" +mp-22402,BaInCo4O7,-6.8753264354,-1.6652686793,0.0390522386,0.0390522386,GGA+U,P6_3mc,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-In-O,26.0,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-In-O +mp-755167,InCoO3,-6.48039367,-1.5403801382,0.076417997,0.076417997,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Co-In-O, expected InCoO7 to be InCoO3" +mp-20193,DyCo3B2,-7.0451921617,-0.4967715339,0.0,-0.0215153138,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Dy,6.0,A2B3C_hP6_191_c_g_a:B-Co-Dy +mp-758934,Dy3Co29(Si2B5)2,-7.121834889,-0.4162530107,0.0,-0.0218039603,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Dy-Si,92.0,"Invalid WP multiplicities - A10B29C3D4_tP92_129_4c4i3j_2c21i8j8k_2a2e_i:B-Co-Dy-Si, expected Dy3Co91(SiB8)2 to be Dy3Co29(Si2B5)2" +mp-13237,Dy5Si3B,-5.6146914944,-0.5047714877,0.1634289634,0.1634289634,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Dy-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Dy-Si +mp-1212868,DyCoB4,-6.9980546738000005,-0.5926093874,0.0,-0.0305142042,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Dy,24.0,A4BC_oP24_55_4h_g_g:B-Co-Dy +mp-1212823,Dy5(SiB4)2,-6.4939875897,-0.6726739612,0.0,-0.0379468827,GGA,P4/mbm,A8B5C2_tP30_127_egi_bk_h:B-Dy-Si,30.0,A8B5C2_tP30_127_egi_bk_h:B-Dy-Si +mp-5135,Dy(CoB)2,-7.001697782,-0.5652565877,0.0,-0.0495122735,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Dy,5.0,A2B2C_tI10_139_e_d_a:B-Co-Dy +mp-1200694,Dy4CoB13,-6.7149579019,-0.4723157811,0.1140679822,0.1140679822,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Dy,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Dy +mp-1106057,Dy(Co2B)6,-7.1900629763,-0.3488550287,0.0,-0.0226839529,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Dy,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Dy +mp-569158,Dy2Co7B3,-6.9875789904,-0.4034145273,0.0020435511,0.0020435511,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Dy,24.0,"Invalid WP multiplicities - A3B7C2_hP24_191_2c2h_d8i_ab2e:B-Co-Dy, expected Dy3Co25B6 to be Dy2Co7B3" +mp-1105042,Dy5(CoB3)2,-6.4805832646,-0.5323586173,0.0,-0.0528671082,GGA,R-3m,A6B2C5_hR39_166_f_c_b2c:B-Co-Dy,13.0,A6B2C5_hR39_166_f_c_b2c:B-Co-Dy +mp-1103593,DyCo4B,-6.923973675,-0.3040653765,0.0100792464,0.0100792464,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Dy,12.0,AB4C_hP12_191_c_di_ab:B-Co-Dy +mp-30907,Dy3Co11B4,-6.9664490039,-0.370369929,0.0046503309,0.0046503309,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Dy,18.0,"Invalid WP multiplicities - A4B11C3_hP18_191_h_c2gi_ae:B-Co-Dy, expected Dy3(Co7B2)2 to be Dy3Co11B4" +mp-1104444,Dy4(CoB2)3,-6.4969065815,-0.3562564762,0.1920987254,0.1920987254,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Dy,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Dy +mp-1189595,Dy(CoB)4,-7.1446031872,-0.5048670646,0.0,-0.0121344472,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Dy,18.0,A4B4C_tP18_137_g_g_a:B-Co-Dy +mp-505807,Nd5Co21B4,-6.839132931,-0.1780336663,0.0235842427,0.0235842427,GGA,P6/mmm,A4B21C5_hP30_191_h_cgh2i_a2e:B-Co-Nd,30.0,A4B21C5_hP30_191_h_cgh2i_a2e:B-Co-Nd +mp-4164,Nd2Co14B,-6.9272284254,-0.1194557333,0.0,-0.0039286439,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Nd,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Nd +mp-3689,NdCo4B,-6.8630768875,-0.2162751569,0.0213318917,0.0213318917,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Nd,12.0,"Invalid WP multiplicities - AB4C_hP12_191_c_2d2i_ab:B-Co-Nd, expected NdCo8B to be NdCo4B" +mp-1209928,Nd5Si3B,-5.5689756611,-0.3694108807,0.2083757073,0.2083757073,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Nd-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Nd-Si +mp-5553,Nd(CoB)2,-6.959411126,-0.4906978132,0.0,-0.0749489022,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Nd,5.0,A2B2C_tI10_139_e_d_a:B-Co-Nd +mp-1210590,Nd2Co23B3,-7.019538667,-0.1243322576,0.0199488131,0.0199488131,GGA,I-43d,A3B23C2_cI224_220_d_cd3e_c:B-Co-Nd,112.0,A3B23C2_cI224_220_d_cd3e_c:B-Co-Nd +mp-569415,Nd5Co19B6,-6.8851633423,-0.2526591459,0.0209370423,0.0209370423,GGA,P6/mmm,A6B19C5_hP30_191_ch_gh2i_a2e:B-Co-Nd,30.0,"Invalid WP multiplicities - A6B19C5_hP30_191_ch_2g3h7i_a4e:B-Co-Nd, expected Nd3(Co10B)2 to be Nd5Co19B6" +mp-4603,Nd3Co13B2,-6.8213653411,-0.150734387,0.0268907622,0.0268907622,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Co-Nd,18.0,"Invalid WP multiplicities - A2B13C3_hP18_191_c_gh2i_ae:B-Co-Nd, expected Nd3Co19B2 to be Nd3Co13B2" +mp-5568,Nd3Co11B4,-6.9006208583,-0.2776483513,0.0199405966,0.0199405966,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Nd,18.0,"Invalid WP multiplicities - A4B11C3_hP18_191_h_c2gi_ae:B-Co-Nd, expected Nd3(Co7B2)2 to be Nd3Co11B4" +mp-582394,Nd2Co7B3,-6.9160440167,-0.3049861215,0.0225937762,0.0225937762,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Nd,24.0,"Invalid WP multiplicities - A3B7C2_hP24_191_2c2h_d8i_ab2e:B-Co-Nd, expected Nd3Co25B6 to be Nd2Co7B3" +mp-16085,Nd3Co29(Si2B5)2,-7.1076547116,-0.3915493164,0.0,-0.008226932,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Nd-Si,92.0,"Invalid WP multiplicities - A10B29C3D4_tP92_129_2ci2j_c9i2j5k_ae_i:B-Co-Nd-Si, expected Nd3Co85(Si2B7)2 to be Nd3Co29(Si2B5)2" +mp-1198836,Nd2Co5B2,-6.7829826308,-0.2900195884,0.0095140049,0.0095140049,GGA,P6_3/mmc,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Nd,36.0,A2B5C2_hP36_194_ef_ahk_2f:B-Co-Nd +mp-581471,Nd(CoB)4,-7.1196083117,-0.4619432344,0.0,-0.0106321583,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Co-Nd,18.0,A4B4C_tP18_86_g_g_a:B-Co-Nd +mp-1105815,Nd(Co2B)6,-7.1939353811,-0.3442347707,0.0,-0.0407716271,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Nd,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Nd +mp-1186884,RbMgO3,-4.88328735,-1.3991112987,0.406369916,0.406369916,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Rb,5.0,AB3C_cP5_221_b_c_a:Mg-O-Rb +mp-2228049,RbMgBiO3,-4.88562436,-1.3420627956,0.8139759883000001,0.8139759883000001,GGA,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Bi-Mg-O-Rb,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_a2e_c:Bi-Mg-O-Rb, expected RbMgBiO5 to be RbMgBiO3" +mp-1033513,RbMg6BiO8,-5.6731010994,-2.2983377748,0.4189519562,0.4189519562,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Rb, expected RbMg6BiO12 to be RbMg6BiO8" +mp-1033608,RbMg6BiO8,-5.5543917056000005,-2.1796283811,0.53766135,0.53766135,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Rb, expected RbMg6BiO12 to be RbMg6BiO8" +mp-1026609,RbMg14Bi,-1.6236436194,0.0779153745,0.1480796837,0.1480796837,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Rb, expected RbMg18Bi to be RbMg14Bi" +mp-1026608,RbMg14Bi,-1.5777849338,0.1237740602,0.1939383693,0.1939383693,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Rb, expected RbMg26Bi to be RbMg14Bi" +mp-1034087,RbMg14BiO16,-5.9295068012000005,-2.6053829487,0.2802820666,0.2802820666,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Rb, expected RbMg18BiO20 to be RbMg14BiO16" +mp-1034096,RbMg14BiO16,-5.9550408775,-2.6309170249,0.2547479903,0.2547479903,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Rb, expected RbMg30BiO32 to be RbMg14BiO16" +mp-778256,Rb2MgO2,-4.5766937697,-1.8857486462,0.0218526828,0.0160229563,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Mg-O-Rb,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_5e_13e_15e:Mg-O-Rb, expected Rb15Mg5O13 to be Rb2MgO2" +mp-756372,Rb2MgO2,-4.595281747,-1.9043366235,0.0032647055,-0.002565021,GGA,Pbcn,AB2C2_oP20_60_c_d_d:Mg-O-Rb,20.0,AB2C2_oP20_60_c_d_d:Mg-O-Rb +mp-1541753,Rb2MgO2,-4.5985464525,-1.907601329,0.0,-0.0058297265,GGA,Ibam,AB2C2_oI20_72_a_j_j:Mg-O-Rb,20.0,AB2C2_oI20_72_a_j_j:Mg-O-Rb +mp-1017064,RbMg6Bi,-1.66568028,0.1371576578,0.2529024575,0.2529024575,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Rb, expected RbMg12Bi to be RbMg6Bi" +mp-1017065,RbMg6Bi,-1.6709392656,0.1318986722,0.2476434718,0.2476434718,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Rb, expected RbMg12Bi to be RbMg6Bi" +mp-2223081,Rb2MgBi2O5,-5.13567619,-1.5380991889,0.438339292,0.438339292,GGA,Pmmm,A2BC5D2_oP10_47_k_a_eil_cd:Bi-Mg-O-Rb,10.0,A2BC5D2_oP10_47_k_a_eil_cd:Bi-Mg-O-Rb +mp-2228078,Rb2MgBi2O5,-5.256828001,-1.6592509999,0.317187481,0.317187481,GGA,P4mm,A2BC5D2_tP10_99_2a_b_a2c_2b:Bi-Mg-O-Rb,10.0,"Invalid WP multiplicities - A2BC5D2_tP10_99_2a_b_a4c_2b:Bi-Mg-O-Rb, expected Rb2MgBi2O9 to be Rb2MgBi2O5" +mp-1039612,RbMg30BiO32,-6.1386134225,-2.8398093059,0.1300433514,0.1300433514,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Rb, expected RbMg90BiO80 to be RbMg30BiO32" +mp-1039634,RbMg30BiO32,-6.1526537166,-2.8538496,0.1160030573,0.1160030573,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Rb, expected RbMg110BiO72 to be RbMg30BiO32" +mp-1024035,RbMg3O4,-5.1521910237,-1.9561748903,0.6427627613,0.6427627613,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Rb,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Rb, expected RbMg3O7 to be RbMg3O4" +mp-2232752,Mg(Cr2S5)2,-6.142147418,-0.7036828448,0.2252007707,0.2252007707,GGA,Pm,A4BC10_mP15_6_2a2b_a_5a5b:Cr-Mg-S,15.0,A4BC10_mP15_6_2a2b_a_5a5b:Cr-Mg-S +mp-2232972,Mg(Cr2S5)2,-6.1407129067,-0.7022483334,0.226635282,0.226635282,GGA,Pmm2,A4BC10_oP15_25_ef_a_bc2e2f:Cr-Mg-S,15.0,"Invalid WP multiplicities - A4BC10_oP15_25_2ef_a_bc3e3f:Cr-Mg-S, expected Mg(Cr3S7)2 to be Mg(Cr2S5)2" +mp-1212952,Dy3CrS6,-6.8604641525000005,-2.0312534334,0.0,-0.0051742688,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Dy-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Dy-S +mp-1225424,Dy4CrS7,-6.8111843492,-2.0582390243,0.0577865553,0.0577865553,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Dy-S,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Dy-S +mp-1225651,DyCrS3,-6.9037525545000005,-1.5699157724,0.1155685895,0.1155685895,GGA,Pnnm,ABC3_oP40_58_acg_2g_6g:Cr-Dy-S,40.0,ABC3_oP40_58_acg_2g_6g:Cr-Dy-S +mp-2227311,Mg(CrS2)4,-6.5028196138,-0.8640450858000001,0.1865121112,0.1865121112,GGA,P1,A4BC8_aP13_1_4a_a_8a:Cr-Mg-S,13.0,A4BC8_aP13_1_4a_a_8a:Cr-Mg-S +mp-2219488,Mg(CrS2)4,-6.5035968869000005,-0.8648223588,0.1857348381,0.1857348381,GGA,C2,A4BC8_mC26_5_2c_a_4c:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_mC26_8_2a2b_a_4a4b:Cr-Mg-S, expected Mg(CrS2)6 to be Mg(CrS2)4" +mp-2218826,Mg(CrS2)4,-6.5031533531,-0.8643788250000001,0.1861783719,0.1861783719,GGA,Cm,A4BC8_mC26_8_2ab_a_4a2b:Cr-Mg-S,13.0,A4BC8_aP13_1_4a_a_8a:Cr-Mg-S +mp-2219285,Mg(CrS2)4,-6.5030472492,-0.8642727212,0.1862844758,0.1862844758,GGA,Imm2,A4BC8_oI26_44_cd_a_2c2d:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_mC26_8_2a2b_a_4a4b:Cr-Mg-S, expected Mg(CrS2)6 to be Mg(CrS2)4" +mp-2218979,Mg(CrS2)4,-6.64914275,-1.0103682219,0.040188975,0.040188975,GGA,R3m,A4BC8_hR39_160_ab_a_2a2b:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_160_a2b_a_2a3b:Cr-Mg-S, expected MgCr7S11 to be Mg(CrS2)4" +mp-2219361,Mg(CrS2)4,-6.6680989723,-1.0293244442,0.0212327527,0.0212327527,GGA,R3m,A4BC8_hR39_160_ab_a_2a2b:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_160_a2b_a_2a3b:Cr-Mg-S, expected MgCr7S11 to be Mg(CrS2)4" +mp-1411153,Mg(CrS2)4,-6.6570954562,-1.0183209281,0.0322362688,0.0322362688,GGA,R-3m,A4BC8_hR39_166_ad_b_ch:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_c2h:Cr-Mg-S, expected Mg(Cr2S7)2 to be Mg(CrS2)4" +mp-1390152,Mg(CrS2)4,-6.6694865815,-1.0307120535,0.0198451435,0.0198451435,GGA,R-3m,A4BC8_hR39_166_bd_a_ch:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Cr-Mg-S, expected Mg(Cr2S7)2 to be Mg(CrS2)4" +mp-1246794,Mg(CrS2)4,-6.6800009492,-1.0412264212,0.0093307758,0.0093307758,GGA,F-43m,A4BC8_cF52_216_e_a_2e:Cr-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_cF52_216_e_a_5e:Cr-Mg-S, expected Mg(CrS5)4 to be Mg(CrS2)4" +mp-2224842,Mg(CrS2)2,-6.22930711,-0.8789964732000001,0.3264781136,0.3102660493,GGA,C2,A2BC4_mC14_5_c_a_abc:Cr-Mg-S,7.0,"Invalid WP multiplicities - A2BC4_mC14_5_c_a_ab2c:Cr-Mg-S, expected Mg(CrS3)2 to be Mg(CrS2)2" +mp-2225943,Mg(CrS2)2,-6.2100768429,-0.8597662061,0.3457083807,0.3294963164,GGA,C2,A2BC4_mC14_5_ab_a_2c:Cr-Mg-S,7.0,"Invalid WP multiplicities - A2BC4_mC14_5_ab_a_4c:Cr-Mg-S, expected Mg(CrS4)2 to be Mg(CrS2)2" +mp-1400392,Mg(CrS2)2,-6.5557852236,-1.2054745868,0.0,-0.0162120643,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Mg-S +mp-2225385,Mg(CrS2)2,-6.2760132229,-0.9257025861,0.2797720007,0.2635599364,GGA,I-4,A2BC4_tI14_82_ac_b_g:Cr-Mg-S,7.0,A2BC4_tI14_82_ac_b_g:Cr-Mg-S +mp-2225272,Mg(CrS2)2,-6.3536461071,-1.0033354704,0.2021391164,0.1859270521,GGA,P3m1,A2BC4_hP7_156_2b_a_2a2c:Cr-Mg-S,7.0,A2BC4_hP7_156_2b_a_2a2c:Cr-Mg-S +mp-2227138,Mg(CrS2)2,-6.4698491771,-1.1195385404,0.0859360464,0.0697239821,GGA,P-3m1,A2BC4_hP7_164_c_a_2d:Cr-Mg-S,7.0,"Invalid WP multiplicities - A2BC4_hP7_164_c_a_4d:Cr-Mg-S, expected Mg(CrS4)2 to be Mg(CrS2)2" +mp-530588,Dy(CrS2)3,-7.1681366269,-1.3296737817,0.0100415086,0.0100415086,GGA,Pmn2_1,A3BC6_oP80_31_4a4b_2ab_8a8b:Cr-Dy-S,80.0,"Invalid WP multiplicities - A3BC6_oP80_31_8a14b_4a2b_16a30b:Cr-Dy-S, expected Dy2Cr9S19 to be Dy(CrS2)3" +mp-532220,Dy(CrS2)3,-7.1530669176,-1.3146040725,0.0251112179,0.0251112179,GGA,Pna2_1,A3BC6_oP160_33_12a_4a_24a:Cr-Dy-S,160.0,"Invalid WP multiplicities - A3BC6_oP160_33_40a_14a_79a:Cr-Dy-S, expected Dy14Cr40S79 to be Dy(CrS2)3" +mp-1333226,MgCr2S5,-6.0661726825,-0.867594642,0.2044462884,0.2044462884,GGA,Pmmn,A2BC5_oP16_59_e_a_b2e:Cr-Mg-S,16.0,A2BC5_oP16_59_e_a_b2e:Cr-Mg-S +mp-1232163,DyMgS3,-5.279874477,-1.5565911789,0.31352235,0.31352235,GGA,C2/m,ABC3_mC20_12_i_g_ij:Dy-Mg-S,10.0,ABC3_mC20_12_i_g_ij:Dy-Mg-S +mp-1232195,DyMgS3,-5.3591508173,-1.6358675192,0.2342460097,0.2342460097,GGA,R-3,ABC3_hR30_148_c_c_f:Dy-Mg-S,30.0,ABC3_hR30_148_c_c_f:Dy-Mg-S +mp-1246559,DyMgCrS4,-6.2501984343,-1.6207821732,0.0680782604,0.0680782604,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Dy-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-Dy-Mg-S, expected DyMgCrS12 to be DyMgCrS4" +mp-1246786,DyMg2Cr3S8,-6.38819791,-1.3983344611,0.0488330491,0.0488330491,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Dy-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-Dy-Mg-S, expected DyMg2Cr3S16 to be DyMg2Cr3S8" +mp-1232126,Dy2MgS4,-5.8858178782,-1.9772959929,0.1949502875,0.1949502875,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Dy-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:Dy-Mg-S +mp-1232127,Dy2MgS4,-6.0679560239,-2.1594341386,0.0128121418,0.0128121418,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Dy-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Dy-Mg-S +mp-1232124,Dy2MgS4,-6.0640365446,-2.1555146593,0.0167316211,0.0167316211,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Dy-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Dy-Mg-S +mp-1232125,Dy2MgS4,-6.0186506279,-2.1101287425,0.0621175379,0.0621175379,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Dy-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Dy-Mg-S +mp-1232142,Dy2MgS4,-5.8511880111,-1.9426661257,0.2295801546,0.2295801546,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Dy-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:Dy-Mg-S +mp-1232121,Dy2MgS4,-6.006878595,-2.0983567096,0.0738895707,0.0738895707,GGA,I-42d,A2BC4_tI28_122_d_a_e:Dy-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Dy-Mg-S +mp-1232131,Dy2MgS4,-6.0777477007,-2.1692258154,0.003020465,0.003020465,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Dy-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Dy-Mg-S +mp-2210668,MgCrS2,-5.18395532,-0.3023985066,0.9599794296,0.9599794296,GGA,C2/m,ABC2_mC8_12_a_b_i:Cr-Mg-S,4.0,ABC2_mC8_12_a_b_i:Cr-Mg-S +mp-2210621,MgCrS2,-5.9087371725,-1.0271803591,0.2351975771,0.2351975771,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Mg-S,4.0,ABC2_hR12_160_a_a_2a:Cr-Mg-S +mp-1247249,Dy3Mg2CrS8,-6.1458066414,-1.8768375682,0.0537157887,0.0537157887,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-Dy-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-Dy-Mg-S, expected Dy3Mg2CrS22 to be Dy3Mg2CrS8" +mp-1225333,Dy4MgS7,-6.31916152,-2.2372801468,0.0174149667,0.0174149667,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Dy-Mg-S,12.0,A4BC7_mC24_8_4a_a_7a:Dy-Mg-S +mp-1224921,Fe2Sb3PbO8,-6.8673798532,-1.6807225032000002,0.0132008317,0.0132008317,GGA+U,Ama2,A2B8CD3_oC56_40_2a_2a4bc_b_3b:Fe-O-Pb-Sb,28.0,"Invalid WP multiplicities - A2B8CD3_oC56_40_3a_3a6b2c_b_4b:Fe-O-Pb-Sb, expected Fe3Sb4PbO13 to be Fe2Sb3PbO8" +mp-1224890,FeSb3Pb4O13,-6.5573286077,-1.7947302051,0.0,-0.0193123031,GGA+U,R3m,AB13C4D3_hR63_160_a_a4b_ab_b:Fe-O-Pb-Sb,84.0,AB13C4D3_hR63_160_a_a4b_ab_b:Fe-O-Pb-Sb +mp-1186948,SbPbO3,-6.100877602,-1.5645347132,0.1700234941,0.1700234941,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Sb,5.0,A3BC_cP5_221_c_a_b:O-Pb-Sb +mp-20727,Sb2PbO6,-6.5290184222,-1.9011537758,0.0,-0.1301260067,GGA,P-31m,A6BC2_hP9_162_k_a_d:O-Pb-Sb,9.0,A6BC2_hP9_162_k_a_d:O-Pb-Sb +mp-633099,Sb2Pb2O7,-6.3825917091,-1.8089446547,0.0137652763,0.0137652763,GGA,Ima2,A7B2C2_oI44_46_b3c_ab_ab:O-Pb-Sb,22.0,A7B2C2_oI44_46_b3c_ab_ab:O-Pb-Sb +mp-647520,Sb2Pb2O7,-6.3104688982,-1.7368218437,0.0858880872,0.0858880872,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pb-Sb,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-Pb-Sb, expected SbPbO10 to be Sb2Pb2O7" +mp-647374,Sb2Pb2O7,-5.9524989218,-1.3788518674,0.4438580636,0.4438580636,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pb-Sb,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pb-Sb, expected SbPbO10 to be Sb2Pb2O7" +mp-1348293,Zn2Co2O5,-5.9232215833,-1.3154919871,0.2266052374,0.2266052374,GGA+U,Pm,A2B5C2_mP18_6_4a_6a4b_4b:Co-O-Zn,18.0,A2B5C2_mP18_6_4a_6a4b_4b:Co-O-Zn +mp-1045890,Zn2Co9O13,-6.6818876979,-1.2318335054,0.1861467726,0.1861467726,GGA+U,C2/m,A9B13C2_mC48_12_a4i_d6i_i:Co-O-Zn,24.0,A9B13C2_mC48_12_a4i_c6i_i:Co-O-Zn +mp-753026,ZnCoO3,-5.973560132,-1.3319346243,0.0559528778,0.0559528778,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Co-O-Zn,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_9f_f:Co-O-Zn, expected Zn2(CoO6)3 to be ZnCoO3" +mp-1369159,ZnCoO3,-5.8525985185,-1.2109730107,0.1769144913,0.1769144913,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Zn,20.0,AB3C_oP20_62_a_cd_c:Co-O-Zn +mp-758652,ZnCoO3,-5.947583421,-1.3059579133,0.0819295888,0.0819295888,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Zn,10.0,AB3C_hR30_148_c_f_c:Co-O-Zn +mp-675023,Co8(BiO4)5,-6.5026174758,-1.1995034686,0.2043630133,0.2043630133,GGA+U,P1,A5B8C20_aP33_1_5a_8a_20a:Bi-Co-O,33.0,A5B8C20_aP33_1_5a_8a_20a:Bi-Co-O +mp-755614,CoBiO4,-6.3552168183,-1.23262319,0.0506891556,0.0506891556,GGA+U,Imma,ABC4_oI24_74_a_c_hi:Bi-Co-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_c_2h3i:Bi-Co-O, expected CoBiO10 to be CoBiO4" +mp-1188346,CoBiO3,-6.550150727,-1.3923761153,0.082228795,0.0744691225,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Bi-Co-O,20.0,ABC3_oP20_62_c_a_cd:Bi-Co-O +mp-545522,CoBiO3,-6.632379522,-1.4746049102,0.0,-0.0077596725,GGA+U,P4mm,ABC3_tP5_99_b_a_ac:Bi-Co-O,10.0,ABC3_tP5_99_b_a_ac:Bi-Co-O +mp-1376556,Zn3Co2O7,-5.7147396067,-1.3295156568,0.1256464715,0.1256464715,GGA+U,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Co-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Co-O-Zn, expected Zn3Co2O9 to be Zn3Co2O7" +mp-1047821,ZnCo4O9,-6.2138697475,-0.9129259481,0.3003778651,0.3003778651,GGA+U,P2/c,A4B9C_mP28_13_2g_e4g_f:Co-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Co-O-Zn +mp-1244818,ZnCo4O9,-6.2150584082,-0.9141146088,0.2991892044,0.2991892044,GGA+U,P4/n,A4B9C_tP28_85_g_a2g_c:Co-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Co-O-Zn +mp-861852,Zn5Co19O32,-6.8095914348,-1.4586843828,0.0,-0.0839019777,GGA+U,R3m,A19B32C5_hR168_160_7a4b_8a8b_5a:Co-O-Zn,56.0,"Invalid WP multiplicities - A19B32C5_hR168_160_7a8b_8a20b_5a:Co-O-Zn, expected Zn5Co31O68 to be Zn5Co19O32" +mp-1043057,Zn(Co2O3)2,-6.4753916095,-1.0778327861,0.3522350847,0.3522350847,GGA+U,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Co-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Co-O-Zn, expected Zn(Co2O)6 to be Zn(Co2O3)2" +mp-1042620,ZnCoBi2O7,-5.8751593249,-1.2682629027,0.1683008978,0.1683008978,GGA+U,P2_1/c,A2BC7D_mP88_14_4e_2e_14e_2e:Bi-Co-O-Zn,88.0,"Invalid WP multiplicities - A2BC7D_mP88_14_7e_2e_17e_3e:Bi-Co-O-Zn, expected Zn3Co2Bi7O17 to be ZnCoBi2O7" +mp-1049210,ZnCo2O5,-6.0718485756,-1.0456207311,0.2413548317,0.2413548317,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Co-O-Zn,16.0,A2B5C_mP16_11_2e_5e_e:Co-O-Zn +mp-1043279,ZnCo2O5,-6.0909906063,-1.0647627617,0.222212801,0.222212801,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Co-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Co-O-Zn +mp-1045581,Zn(CoO2)4,-6.4549461131,-1.1267519223,0.1798829535,0.1798829535,GGA+U,Cm,A4B8C_mC26_8_4a_8a_a:Co-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Co-O-Zn +mp-1041352,Zn(CoO2)4,-6.4867418715,-1.1585476808,0.148087195,0.148087195,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Co-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Co-O-Zn, expected Zn(Co2O7)2 to be Zn(CoO2)4" +mp-1370323,ZnCo5O7,-6.7127679085,-1.2182945574,0.1894577573,0.1894577573,GGA+U,Cmcm,A5B7C_oC52_63_a2f_c3f_c:Co-O-Zn,26.0,"Invalid WP multiplicities - A5B7C_oC52_63_a5f_c3f_c:Co-O-Zn, expected ZnCo11O7 to be ZnCo5O7" +mp-765468,Zn3Co9O16,-6.4926415439,-1.2461733166,0.2165593434,0.2165593434,GGA+U,R3m,A9B16C3_hR84_160_3a2b_4a4b_3a:Co-O-Zn,28.0,"Invalid WP multiplicities - A9B16C3_hR84_160_3a3b_4a7b_3a:Co-O-Zn, expected Zn3Co12O25 to be Zn3Co9O16" +mp-1044295,ZnCoBiO5,-5.9566840753,-1.3389348139,0.0824176433,0.0824176433,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Co-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Co-O-Zn, expected ZnCoBiO15 to be ZnCoBiO5" +mp-1042727,ZnCoBiO5,-5.8899858366,-1.2722365752,0.1491158821,0.1491158821,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Co-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Co-O-Zn, expected ZnCoBiO31 to be ZnCoBiO5" +mp-1388550,ZnCoO2,-5.9437034506,-1.3783437437,0.1599322638,0.1599322638,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Co-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Co-O-Zn, expected Zn2Co3O7 to be ZnCoO2" +mp-1443384,ZnCoO2,-5.8494757031,-1.2841159962,0.2541600113,0.2541600113,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Co-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Co-O-Zn, expected Zn2Co3O7 to be ZnCoO2" +mp-1045166,ZnCoO2,-5.9306000187,-1.3652403119,0.1730356956,0.1730356956,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Co-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Co-O-Zn, expected Zn2Co3O7 to be ZnCoO2" +mp-1272466,ZnCoO2,-5.9940822944,-1.4287225875,0.10955342,0.10955342,GGA+U,C2/m,AB2C_mC8_12_a_i_d:Co-O-Zn,16.0,AB2C_mC8_12_a_i_c:Co-O-Zn +mp-1291102,ZnCoO2,-5.9895483131,-1.4241886062,0.1140874013,0.1140874013,GGA+U,C2/m,AB2C_mC16_12_ad_2i_i:Co-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC16_12_2a2c_8i_i:Co-O-Zn, expected Zn(CoO4)2 to be ZnCoO2" +mp-754633,ZnCoO2,-6.0009757794,-1.4356160725,0.102659935,0.102659935,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Co-O-Zn,16.0,AB2C_hR12_166_a_c_b:Co-O-Zn +mp-677295,Co(Bi3O5)4,-6.2116815591,-1.6017433294,0.0197452422,0.0197452422,GGA+U,I23,A12BC20_cI66_197_f_a_2cf:Bi-Co-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_4c3f:Bi-Co-O, expected Co(Bi3O13)4 to be Co(Bi3O5)4" +mp-1215794,Zn(Co2O5)2,-6.2511437547,-0.9738169612,0.1585999312,0.1585999312,GGA+U,C2/m,A4B10C_mC30_12_2g_i2j_a:Co-O-Zn,15.0,"Invalid WP multiplicities - A4B10C_mC30_12_2g_2i6j_a:Co-O-Zn, expected Zn(CoO7)4 to be Zn(Co2O5)2" +mp-1350001,Zn(CoO2)2,-6.4167155279,-1.37912495,0.0917042646,0.0917042646,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Co-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Co-O-Zn, expected Zn4Co11O24 to be Zn(CoO2)2" +mp-1379105,Zn(CoO2)2,-6.4038638107,-1.3662732329,0.1045559817,0.1045559817,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Co-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Co-O-Zn, expected Zn(CoO2)3 to be Zn(CoO2)2" +mp-1042573,Zn(CoO2)2,-6.1970661536,-1.1594755757,0.3113536389,0.3113536389,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Co-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Co-O-Zn, expected ZnCo3O7 to be Zn(CoO2)2" +mp-1042295,Zn(CoO2)2,-6.2543190832,-1.2167285054,0.2541007092,0.2541007092,GGA+U,P2_12_12,A2B4C_oP28_18_2c_ab3c_c:Co-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_mP28_4_7a_14a_4a:Co-O-Zn, expected Zn4(CoO2)7 to be Zn(CoO2)2" +mp-1340366,Zn(CoO2)2,-6.24075482,-1.2031642421,0.2676649724,0.2676649724,GGA+U,Pbcm,A2B4C_oP28_57_e_cde_d:Co-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oC28_63_f_3a3c5f_c:Co-O-Zn, expected Zn(CoO8)2 to be Zn(CoO2)2" +mp-1048280,Zn(CoO2)2,-6.2930578529,-1.255467275,0.2153619396,0.2153619396,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Co-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Co-O-Zn +mp-1048393,Zn(CoO2)2,-6.2706889029,-1.233098325,0.2377308896,0.2377308896,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Co-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Co-O-Zn +mp-1047667,Zn(CoO2)2,-6.2538188307,-1.2162282529,0.2546009617,0.2546009617,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Co-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Co-O-Zn +mp-1041967,Zn(CoO2)2,-6.349812285,-1.3122217071,0.1586075074,0.1586075074,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Co-O-Zn, expected Zn(CoO5)2 to be Zn(CoO2)2" +mp-1040942,Zn(CoO2)2,-6.4443353105,-1.4067447326,0.064084482,0.064084482,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Co-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab8d_2a2b2c16d_a2b3c:Co-O-Zn, expected Zn2(CoO2)9 to be Zn(CoO2)2" +mp-1041156,Zn(CoO2)2,-6.4235564879,-1.38596591,0.0848633046,0.0848633046,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Co-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Co-O-Zn, expected Zn2Co8O15 to be Zn(CoO2)2" +mp-530742,Zn(CoO2)2,-6.4447554564,-1.4071648786,0.063664336,0.063664336,GGA+U,R3m,A2B4C_hR168_160_4a4b_8a8b_8a:Co-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_hR168_160_4a7b_8a22b_8a:Co-O-Zn, expected Zn8Co25O74 to be Zn(CoO2)2" +mp-753489,Zn(CoO2)2,-6.4561492671,-1.4185586893,0.0522705253,0.0522705253,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Co-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Co-O-Zn +mp-1338829,ZnCo3O7,-6.1620522184,-0.9610051299,0.2801013695,0.2801013695,GGA+U,P2_1/c,A3B7C_mP88_14_6e_14e_2e:Co-O-Zn,88.0,"Invalid WP multiplicities - A3B7C_mP88_14_9e_17e_3e:Co-O-Zn, expected Zn3Co9O17 to be ZnCo3O7" +mp-1044368,ZnCo3O7,-6.178577622,-0.9775305335,0.2635759659,0.2635759659,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Co-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Co-O-Zn, expected ZnCo5O7 to be ZnCo3O7" +mp-674502,Co5(Bi2O5)4,-6.3487883794,-1.3427497055,0.1649790158,0.1649790158,GGA+U,P1,A8B5C20_aP33_1_8a_5a_20a:Bi-Co-O,33.0,A8B5C20_aP33_1_8a_5a_20a:Bi-Co-O +mp-1361818,Co5(Bi2O5)4,-2.5528262476,2.4532124264,3.9609411477,3.9609411477,GGA+U,P1,A8B5C20_aP33_1_8a_5a_20a:Bi-Co-O,33.0,A8B5C20_aP33_1_8a_5a_20a:Bi-Co-O +mp-690537,Co2Bi11O20,-6.2402899652,-1.5313266244,0.0617219846,0.0617219846,GGA+U,P1,A11B2C20_aP33_1_11a_2a_20a:Bi-Co-O,33.0,A11B2C20_aP33_1_11a_2a_20a:Bi-Co-O +mp-686514,Co(Bi5O8)5,-6.1645163313,-1.6040906571,0.0316178957,0.0316178957,GGA+U,C2,A25BC40_mC396_5_a37c_bc_60c:Bi-Co-O,198.0,"Invalid WP multiplicities - A25BC40_mC396_5_a74c_b2c_119c:Bi-Co-O, expected Co5Bi149O238 to be Co(Bi5O8)5" +mp-757873,Co(Bi5O8)5,-6.1600301132,-1.5996044390000002,0.0361041139,0.0361041139,GGA+U,P23,A25BC40_cP66_195_a2j_b_4e2j:Bi-Co-O,66.0,"Invalid WP multiplicities - A25BC40_cP66_195_a8j_b_8e11j:Bi-Co-O, expected CoBi97O164 to be Co(Bi5O8)5" +mp-2214704,Zn2Co3O8,-6.1405424481,-1.2622385792,0.0635492679,0.0635492679,GGA+U,P1,A3B8C2_aP26_1_6a_16a_4a:Co-O-Zn,26.0,A3B8C2_aP26_1_6a_16a_4a:Co-O-Zn +mp-1400342,Zn2Co3O8,-6.1639500185,-1.2856461496,0.0401416975,0.0401416975,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Co-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Co-O-Zn +mp-1042827,Zn2Co3O8,-6.1806462008,-1.3023423319,0.0234455152,0.0234455152,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Co-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Co-O-Zn, expected Zn2(CoO4)3 to be Zn2Co3O8" +mp-1215675,Zn4CoO5,-5.3714099435,-1.6833363644,0.0068951943,0.0068951943,GGA+U,P3m1,AB5C4_hP20_156_2a_5a5b_3a5b:Co-O-Zn,20.0,AB5C4_hP20_156_2a_5a5b_3a5b:Co-O-Zn +mp-1042672,CoBi2O7,-5.9380687966,-0.9964570932,0.2190235722,0.2190235722,GGA+U,P2_1/c,A2BC7_mP80_14_4e_2e_14e:Bi-Co-O,80.0,"Invalid WP multiplicities - A2BC7_mP80_14_7e_2e_17e:Bi-Co-O, expected Co2Bi7O17 to be CoBi2O7" +mp-1178443,Co3BiO8,-6.527075981,-1.1321632973,0.0503164576,0.0503164576,GGA+U,P2_1,AB3C8_mP48_4_2a_6a_16a:Bi-Co-O,48.0,"Invalid WP multiplicities - AB3C8_cP48_213_a_d_8c9e:Bi-Co-O, expected Co3BiO70 to be Co3BiO8" +mp-756635,Co3BiO8,-6.4909787308,-1.0960660471,0.0864137078,0.0864137078,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Bi-Co-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2c3h:Bi-Co-O, expected Co3BiO22 to be Co3BiO8" +mp-772794,Co3BiO8,-6.5062272785,-1.1113145948,0.0711651601,0.0711651601,GGA+U,P4_332,AB3C8_cP48_212_a_d_ce:Bi-Co-O,48.0,"Invalid WP multiplicities - AB3C8_cP48_212_a_d_8c9e:Bi-Co-O, expected Co3BiO70 to be Co3BiO8" +mp-1405253,Co(BiO3)2,-6.0050702656,-1.0640226742,0.2865113985,0.2812779689,GGA+U,P4mm,A2BC6_tP9_99_2b_a_2a2c:Bi-Co-O,9.0,"Invalid WP multiplicities - A2BC6_tP9_99_2b_a_2a4c:Bi-Co-O, expected Co(BiO5)2 to be Co(BiO3)2" +mp-756112,Co(BiO3)2,-6.2741501922000005,-1.3331026008,0.0174314719,0.0121980422,GGA+U,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Bi-Co-O,36.0,A2BC6_tP18_136_e_a_fj:Bi-Co-O +mp-765403,Co(BiO3)2,-6.2915816641,-1.3505340727,0.0,-0.0052334296,GGA+U,P321,A2BC6_hP27_150_ef_ad_3g:Bi-Co-O,27.0,"Invalid WP multiplicities - A2BC6_hP27_150_2e2f_ad_16g:Bi-Co-O, expected Co(BiO8)4 to be Co(BiO3)2" +mp-755838,Co5BiO12,-6.5456342167,-1.0599485144,0.0889203769,0.0889203769,GGA+U,C2/m,AB5C12_mC36_12_a_dgh_2i2j:Bi-Co-O,18.0,"Invalid WP multiplicities - AB5C12_mC36_12_a_cg2h_4i5j:Bi-Co-O, expected Co7BiO28 to be Co5BiO12" +mp-1203313,Er12(ReC3)5,-8.3601287144,-0.3768398384,0.0389331748,0.0389331748,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Re +mp-1025362,Er2Re2Si2C,-8.3271501129,-0.5980367496,0.0,-0.0486056471,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Er-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Er-Re-Si +mp-20799,Er2ReC2,-8.4560059345,-0.4485467765,0.0,-0.0782777725,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Er-Re,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_6c_3c_c:C-Er-Re, expected Er3ReC6 to be Er2ReC2" +mp-1205882,ErRe2SiC,-9.275755614,-0.4536042735,0.0,-0.0262441965,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Er-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Er-Re-Si +mp-1213155,Er5Re2C7,-8.4256910743,-0.4022405838,0.0,-0.0227467125,GGA,Cmmm,A7B5C2_oC28_65_aehi_bq_g:C-Er-Re,14.0,A7B5C2_oC28_65_aehi_bq_g:C-Er-Re +mp-1204807,Er2Re3Si5,-7.9117969777,-0.5522360452,0.0,-0.0585582017,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Er-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Er-Re-Si +mp-14133,Gd3Al5O12,-9.6662789965,-3.6504534763,0.0,-0.0252148109,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Gd-O,80.0,A5B3C12_cI160_230_ad_c_h:Al-Gd-O +mp-30906,Sr2Al6O11,-7.6832002916,-3.4586730437,0.004651722,0.004651722,GGA,Pnnm,A6B11C2_oP76_58_ace2h_3g4h_2g:Al-O-Sr,76.0,"Invalid WP multiplicities - A6B11C2_oP76_58_ace2h_5g6h_2g:Al-O-Sr, expected Sr2Al6O17 to be Sr2Al6O11" +mp-530682,GdAl22O34,-8.0364543719,-3.393187588,0.0405544542,0.0405544542,GGA,P-1,A22BC34_aP57_2_ae10i_b_17i:Al-Gd-O,57.0,"Invalid WP multiplicities - A22BC34_aP57_2_ae19i_b_33i:Al-Gd-O, expected GdAl40O66 to be GdAl22O34" +mp-3094,SrAl2O4,-7.5981812575,-3.4599812635,0.0,-0.0221293651,GGA,P2_1,A2B4C_mP28_4_4a_8a_2a:Al-O-Sr,28.0,A2B4C_mP28_4_4a_8a_2a:Al-O-Sr +mp-1218520,SrAl2O4,-7.5789092136,-3.4407092195,0.0192720439,-0.0028573212,GGA,C2,A2B4C_mC28_5_2c_ab3c_c:Al-O-Sr,14.0,"Invalid WP multiplicities - A2B4C_mC28_5_2c_ab5c_c:Al-O-Sr, expected SrAl2O6 to be SrAl2O4" +mp-5492,SrAl2O4,-7.5922245088,-3.4540245148,0.0059567487,-0.0161726164,GGA,P6_3,A2B4C_hP42_173_2c_4c_a2b:Al-O-Sr,42.0,A2B4C_hP42_173_2c_4c_a2b:Al-O-Sr +mp-36775,SrAl2O4,-7.5863457052,-3.4481457112,0.0118355523,-0.0102938128,GGA,P6_122,A2B4C_hP42_178_c_abc_b:Al-O-Sr,42.0,"Invalid WP multiplicities - A2B4C_hP42_178_c_6a2b6c_b:Al-O-Sr, expected SrAl2O20 to be SrAl2O4" +mp-5512,Sr4Al14O25,-7.7147931764,-3.4621593807,0.002253967,0.002253967,GGA,Pmma,A14B25C4_oP86_51_adgk2l_ei2jk4l_ij:Al-O-Sr,86.0,"Invalid WP multiplicities - A14B25C4_oP86_51_adgk2l_ei2jk5l_ij:Al-O-Sr, expected Sr4Al14O29 to be Sr4Al14O25" +mp-978862,SrAlO3,-7.088056108,-3.0330290246,0.0508495222,0.0508495222,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Sr,5.0,AB3C_cP5_221_b_c_a:Al-O-Sr +mp-685242,Sr7Al12O25,-7.4381393059,-3.3372169897,0.1082310386,0.1082310386,GGA,R3,A12B25C7_hR132_146_4b_a8b_a2b:Al-O-Sr,44.0,"Invalid WP multiplicities - A12B25C7_hR132_146_12b_a23b_a4b:Al-O-Sr, expected Sr13Al36O70 to be Sr7Al12O25" +mp-680432,Sr10Al6O19,-7.1248763785,-3.3147199492,0.013796096,0.013796096,GGA,C2/c,A6B19C10_mC280_15_6f_19f_2e9f:Al-O-Sr,140.0,"Invalid WP multiplicities - A6B19C10_mC280_15_23f_70f_4e34f:Al-O-Sr, expected Sr36Al23O70 to be Sr10Al6O19" +mp-3788,SrAl4O7,-7.7401599546,-3.4652751419,0.0,-0.0067155587,GGA,C2/c,A4B7C_mC48_15_2f_e3f_e:Al-O-Sr,24.0,"Invalid WP multiplicities - A4B7C_mC48_15_2f_e4f_e:Al-O-Sr, expected SrAl4O9 to be SrAl4O7" +mp-556167,SrAl4O7,-7.6049704242,-3.3300856115,0.1351895304,0.1284739717,GGA,Cmme,A4B7C_oC48_67_bcm_gmo_e:Al-O-Sr,24.0,"Invalid WP multiplicities - A4B7C_oC48_67_2bc2m_2g2m2o_e:Al-O-Sr, expected SrAl7O14 to be SrAl4O7" +mp-1218531,SrAl12O19,-7.8336947008,-3.4392106718,0.0023389966,0.0023389966,GGA,P6_3mc,A12B19C_hP64_186_2a4b2c_2a2b5c_b:Al-O-Sr,64.0,"Invalid WP multiplicities - A12B19C_hP64_186_2a8b4c_4a4b9c_b:Al-O-Sr, expected SrAl22O35 to be SrAl12O19" +mp-6995,SrAl12O19,-7.8332605488,-3.4387765198,0.0027731486,0.0027731486,GGA,P6_3/mmc,A12B19C_hP64_194_ab2fk_efh2k_c:Al-O-Sr,64.0,"Invalid WP multiplicities - A12B19C_hP64_194_ab2fk_ef3h4k_c:Al-O-Sr, expected SrAl12O37 to be SrAl12O19" +mp-3393,Sr3Al2O6,-7.1836939532,-3.3437153816,0.0,-0.0148596672,GGA,Pa-3,A2B6C3_cP264_205_2d_6d_ab2c2d:Al-O-Sr,264.0,A2B6C3_cP264_205_2d_6d_ab2c2d:Al-O-Sr +mp-5223,GdAlO3,-10.2235662665,-3.6912134258,0.0083843889,0.0083843889,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Gd-O,20.0,ABC3_oP20_62_a_c_cd:Al-Gd-O +mp-1178268,GdAlO3,-10.146833046,-3.6144802053,0.0851176094,0.0851176094,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Gd-O,5.0,ABC3_cP5_221_b_a_c:Al-Gd-O +mp-545404,SrGd2Al2O7,-9.6097532108,-3.6131106632,0.0286180606,0.0286180606,GGA,I4/mmm,A2B2C7D_tI24_139_e_e_aeg_b:Al-Gd-O-Sr,12.0,A2B2C7D_tI24_139_e_e_aeg_b:Al-Gd-O-Sr +mp-531590,SrAl22O34,-7.8477720628,-3.4218145559,0.0134915668,0.0134915668,GGA,P2_1/m,A22B34C_mP114_11_a7e7f_d9e12f_e:Al-O-Sr,114.0,"Invalid WP multiplicities - A22B34C_mP114_11_2a14e23f_2b18e40f_e:Al-O-Sr, expected SrAl62O100 to be SrAl22O34" +mp-1094063,Sr12Al14O33,-7.403524809,-3.4043263254,0.0014632135,0.0014632135,GGA,I-4,A14B33C12_tI118_82_ac3g_b8g_ef2g:Al-O-Sr,59.0,"Invalid WP multiplicities - A14B33C12_tI118_82_ac11g_b29g_2e2f7g:Al-O-Sr, expected Sr36Al46O117 to be Sr12Al14O33" +mp-3523,SrGd2O4,-10.741088775,-3.6513040924,0.01102874,0.01102874,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Gd-O-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Gd-O-Sr +mp-23432,BaClF,-5.49574939,-3.6027525342,0.0,-0.0366411867,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Cl-F,6.0,ABC_tP6_129_c_c_a:Ba-Cl-F +mp-1228327,Ba3(Br2Cl)2,-4.4941804767,-2.7535014256,0.0035024267,0.0035024267,GGA,P1,A3B4C2_aP36_1_12a_16a_8a:Ba-Br-Cl,36.0,A3B4C2_aP36_1_12a_16a_8a:Ba-Br-Cl +mp-23070,BaBrF,-5.24623461,-3.4517405308,0.0,-0.05141727,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Br-F,6.0,ABC_tP6_129_c_c_a:Ba-Br-F +mp-1190125,Ba(BrF4)2,-3.9686283027,-2.1216407264,0.0,-0.0671676273,GGA,I-4,AB2C8_tI44_82_ac_g_4g:Ba-Br-F,22.0,AB2C8_tI44_82_ac_g_4g:Ba-Br-F +mp-1214422,Ba7BrClF12,-5.8568532895,-3.9629419952,0.0191170962,0.0191170962,GGA,P-6,A7BCD12_hP21_174_ajk_c_f_2j2k:Ba-Br-Cl-F,21.0,A7BCD12_hP21_174_ajk_c_f_2j2k:Ba-Br-Cl-F +mp-1012551,BaBrCl,-4.590687885,-2.817174575,0.0,-0.0099888608,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Br-Cl,12.0,ABC_oP12_62_c_c_c:Ba-Br-Cl +mp-28049,BaBrCl,-4.5422519042000005,-2.7687385942,0.0484359808,0.03844712,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Br-Cl,12.0,ABC_oP12_62_c_c_c:Ba-Br-Cl +mp-1100395,BaBrCl,-4.5700737633,-2.7965604533,0.0206141217,0.0106252608,GGA,F-43m,ABC_cF12_216_c_a_b:Ba-Br-Cl,3.0,ABC_cF12_216_c_a_b:Ba-Br-Cl +mp-560641,Ba12Cl5F19,-5.8196593531000005,-3.9144237152,0.0157139078,0.0157139078,GGA,P-62m,A12B5C19_hP36_189_2fk_cg_afgjk:Ba-Cl-F,36.0,"Invalid WP multiplicities - A12B5C19_hP36_189_5f4k_cg_a3f3g4j5k:Ba-Cl-F, expected Ba39Cl5F73 to be Ba12Cl5F19" +mp-1018650,Ba2ClF3,-5.7260196833,-3.8225324429,0.0608358817,0.0608358817,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Ba-Cl-F,6.0,A2BC3_hP6_164_d_a_bd:Ba-Cl-F +mp-1206930,Ba2Br2F,-3.48413297,-1.7130358685,1.149007172,1.149007172,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ba-Br-F,5.0,A2B2C_tP5_123_g_g_a:Ba-Br-F +mp-23547,Ba7(ClF6)2,-5.8936749138,-3.9856917943,0.0179404405,0.0179404405,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:Ba-Cl-F,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:Ba-Cl-F +mp-1207049,Ba2Cl2F,-3.716840988,-1.8275405545,1.22458254,1.22458254,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ba-Cl-F,5.0,A2B2C_tP5_123_g_g_a:Ba-Cl-F +mp-1228710,Ba12Br3Cl2F19,-5.7543553389,-3.8737453952,0.0186392269,0.0186392269,GGA,Amm2,A12B3C2D19_oC72_38_2a2d3e_bd_e_2ab4d4e:Ba-Br-Cl-F,36.0,"Invalid WP multiplicities - A12B3C2D19_oC72_38_2a2d6e_bd_e_2ab8d8e:Ba-Br-Cl-F, expected Ba18Br3Cl2F35 to be Ba12Br3Cl2F19" +mp-1209378,Pr4OsI5,-5.059882547,-1.288100327,0.0092419351,0.0092419351,GGA,C2/m,A5BC4_mC20_12_a2i_c_2i:I-Os-Pr,10.0,A5BC4_mC20_12_a2i_d_2i:I-Os-Pr +mp-1213720,Cs2Pr10Os2I17,-4.6186058203,-1.4862888815,0.0,-0.012387168,GGA,C2/m,A2B17C2D10_mC62_12_g_a2i3j_i_3ij:Cs-I-Os-Pr,31.0,A2B17C2D10_mC62_12_g_a2i3j_i_3ij:Cs-I-Os-Pr +mp-1192677,Cs4Pr6OsI13,-4.1793564367,-1.5690158534,0.0,-0.0183293297,GGA,C2/m,A4B13CD6_mC48_12_gi_ahi2j_c_ij:Cs-I-Os-Pr,24.0,A4B13CD6_mC48_12_gi_ahi2j_d_ij:Cs-I-Os-Pr +mp-1209677,Pr6OsI10,-4.70581663,-1.4913186618,0.0,-0.0257599009,GGA,P-1,A10BC6_aP17_2_5i_a_3i:I-Os-Pr,17.0,A10BC6_aP17_2_5i_a_3i:I-Os-Pr +mp-570779,Pr3OsI3,-5.4302869307,-1.1459749671,0.0,-0.0323144407,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:I-Os-Pr,14.0,"Invalid WP multiplicities - A3BC3_mP14_11_5e_e_6e:I-Os-Pr, expected Pr6OsI5 to be Pr3OsI3" +mp-1225961,CsScCuF6,-5.7357012817,-3.2028177314,0.0133263314,0.0133263314,GGA,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Sc,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Sc, expected CsScCuF12 to be CsScCuF6" +mp-1112591,Cs2ScCuF6,-5.501959385,-3.1328239526,0.0848761786,0.0848761786,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Sc,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Sc +mp-571124,Cs2KScCl6,-4.489278435,-2.4567891594,0.0,-0.006847141,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sc +mp-1112309,CsK2ScCl6,-4.373227876,-2.3192389429,0.1210276159,0.1210276159,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-K-Sc +mp-1110587,Rb2MoAuF6,-5.157815827,-2.402868421,0.1539306676,0.1539306676,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Mo-Rb +mp-1113817,Rb2CuBiF6,-4.656058755,-2.51909498,0.089162213,0.089162213,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-Rb +mp-975347,NdGeO3,-7.338424784,-2.4921764997,0.4555085717,0.4555085717,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Nd-O,5.0,ABC3_cP5_221_b_a_c:Ge-Nd-O +mp-1210026,Nd5Ge3O13,-7.9469512362,-3.0890096184,0.0996388499,0.0996388499,GGA,P6_3/m,A3B5C13_hP42_176_h_fh_a2hi:Ge-Nd-O,42.0,A3B5C13_hP42_176_h_fh_a2hi:Ge-Nd-O +mp-581345,Nd2Ge2O7,-7.8410251586,-2.9856459265,0.0,-0.0451587058,GGA,P-1,A2B2C7_aP132_2_12i_12i_42i:Ge-Nd-O,132.0,"Invalid WP multiplicities - A2B2C7_aP132_2_24i_23i_84i:Ge-Nd-O, expected Nd23(Ge2O7)12 to be Nd2Ge2O7" +mp-28414,Nd2GeO5,-7.5764301534,-2.7148343689,0.5491151609,0.5364054468,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-Nd-O,32.0,AB2C5_mP32_14_e_2e_5e:Ge-Nd-O +mp-1205383,Nd2GeO5,-8.1255453144,-3.2639495298,0.0,-0.0127097142,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:Ge-Nd-O,32.0,AB2C5_mP32_14_e_2e_5e:Ge-Nd-O +mp-1521374,NdEu(GeO3)4,-5.7844242389,-0.6245617285,1.7824764575,1.7824764575,GGA,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Eu-Ge-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Eu-Ge-Nd-O, expected NdEu(GeO4)4 to be NdEu(GeO3)4" +mp-559014,Nd4GeO8,-8.3428290508,-3.4759731065,0.0,-0.012653889,GGA,Pnma,AB4C8_oP52_62_c_2cd_4c2d:Ge-Nd-O,52.0,"Invalid WP multiplicities - AB4C8_oP52_62_c_7c5d_16c14d:Ge-Nd-O, expected Nd17GeO44 to be Nd4GeO8" +mp-568747,K(NiSe)2,-4.63739134,-0.7048922875,0.051119948,0.051119948,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:K-Ni-Se,5.0,AB2C2_tI10_139_a_d_e:K-Ni-Se +mp-1188089,K2Ni3Se4,-4.5672195778,-0.8400135950000001,0.0,-0.0634928322,GGA,Fddd,A2B3C4_oF72_70_e_ae_h:K-Ni-Se,18.0,A2B3C4_oF72_70_e_ae_h:K-Ni-Se +mp-1180817,KCu3NiSe4,-4.1188235978,-0.4330678703,0.1767990583,0.1767990583,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-K-Ni-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-K-Ni-Se +mp-768523,La3Pt3O11,-7.473949526,-2.3307144026,0.0,-0.0280862486,GGA,Pn-3,A3B11C3_cP68_201_be_efh_g:La-O-Pt,68.0,"Invalid WP multiplicities - A3B11C3_cP68_201_2b2e_4e6f7h_g:La-O-Pt, expected La6Pt3O68 to be La3Pt3O11" +mp-1180241,Na2PtO6,-5.0100119978,-0.7437546451,0.2593104843,0.2593104843,GGA,C2/m,A2B6C_mC18_12_g_ij_a:Na-O-Pt,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_g_2i2j_a:Na-O-Pt, expected Na2PtO12 to be Na2PtO6" +mp-1205984,Na2PtO6,-4.9916812278,-0.7254238751000001,0.2776412543,0.2776412543,GGA,P-31m,A2B6C_hP9_162_c_k_a:Na-O-Pt,9.0,A2B6C_hP9_162_c_k_a:Na-O-Pt +mp-728750,Na2PtO3,-5.4082941942,-1.4822525207,0.0223451733,-0.1830036242,GGA,P1,A2B3C_aP24_1_8a_12a_4a:Na-O-Pt,24.0,A2B3C_aP24_1_8a_12a_4a:Na-O-Pt +mp-557450,Na2PtO3,-5.42557804,-1.4995363666,0.0050613275,-0.20028747,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Pt,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e3f_8f_4e:Na-O-Pt, expected Na5(PtO4)2 to be Na2PtO3" +mp-38017,Na2PtO3,-5.2865176458,-1.3604759724,0.1441217217,-0.0612270758,GGA,C2/c,A2B3C_mC24_15_2e_cf_e:Na-O-Pt,12.0,"Invalid WP multiplicities - A2B3C_mC24_15_4e_2c2f_e:Na-O-Pt, expected Na4PtO6 to be Na2PtO3" +mp-560860,Na2PtO3,-5.4306393675,-1.5045976941,0.0,-0.2053487975,GGA,Fddd,A2B3C_oF96_70_2e_fh_e:Na-O-Pt,24.0,"Invalid WP multiplicities - A2B3C_oF96_70_6e_3f2h_e:Na-O-Pt, expected Na6PtO7 to be Na2PtO3" +mp-1221325,Na2PtO3,-5.284873375,-1.3588317016,0.1457659925,-0.059582805,GGA,Immm,A2B3C_oI12_71_e_cf_a:Na-O-Pt,6.0,A2B3C_oI12_71_e_cf_a:Na-O-Pt +mp-1185084,LaPtO3,-7.186035962,-2.0165946503,0.4250025897,0.4250025897,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Pt,5.0,AB3C_cP5_221_a_c_b:La-O-Pt +mp-755015,NaLaO2,-7.0549230169,-3.0169455616,0.0243119269,-0.0555191011,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:La-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_3e_3e_5f:La-Na-O, expected Na3La3O10 to be NaLaO2" +mp-755586,NaLaO2,-7.0792349437,-3.0412574885,0.0,-0.079831028,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:La-Na-O,8.0,ABC2_tI16_141_a_b_e:La-Na-O +mp-754777,NaLaO2,-7.0349966825,-2.9970192273,0.0442382612,-0.0355927667,GGA,R-3m,ABC2_hR12_166_a_b_c:La-Na-O,4.0,ABC2_hR12_166_a_b_c:La-Na-O +mp-20285,NaPt3O4,-5.9908339281,-1.0754989158,0.0,-0.0090282112,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Na-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Na-O-Pt +mp-675073,Na4PtO4,-4.8284178094,-1.3675301051,0.1151882822,0.1151882822,GGA,C2/m,A4B4C_mC36_12_4i_4i_i:Na-O-Pt,18.0,"Invalid WP multiplicities - A4B4C_mC36_12_6i_7i_i:Na-O-Pt, expected Na6PtO7 to be Na4PtO4" +mp-760492,Na4PtO4,-4.8840691267,-1.4231814224,0.059536965,0.059536965,GGA,C2/m,A4B4C_mC18_12_2i_2i_a:Na-O-Pt,9.0,"Invalid WP multiplicities - A4B4C_mC18_12_4i_2i_a:Na-O-Pt, expected Na8PtO4 to be Na4PtO4" +mp-530998,Na3(Pt3O4)4,-6.0516347337,-1.0204026337,0.012631334,-0.000901269,GGA,Pmmm,A3B16C12_oP124_47_ab3i2l_8A_8knp4w3z:Na-O-Pt,124.0,"Invalid WP multiplicities - A3B16C12_oP124_47_ab5i3l_60A_16k2n2p14w12z:Na-O-Pt, expected Na3(Pt3O10)8 to be Na3(Pt3O4)4" +mp-867673,Na3(Pt3O4)4,-6.0642660677,-1.0330339677,0.0,-0.0135326031,GGA,Fm-3,A3B16C12_cF124_202_ac_2f_h:Na-O-Pt,31.0,"Invalid WP multiplicities - A3B16C12_cF124_202_ac_9f_h:Na-O-Pt, expected Na(PtO6)4 to be Na3(Pt3O4)4" +mp-1221367,Na2La2PtO6,-6.9490658195,-2.5610357846,0.0209749906,0.0209749906,GGA,C2,A2B2C6D_mC44_5_abc_abc_6c_c:La-Na-O-Pt,22.0,"Invalid WP multiplicities - A2B2C6D_mC44_5_abc_abc_11c_c:La-Na-O-Pt, expected Na2La2PtO11 to be Na2La2PtO6" +mp-771647,La2Pt2O7,-7.4329249491,-2.2837338737,0.0886708909,0.0683758543,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:La-O-Pt,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:La-O-Pt, expected La7Pt7O27 to be La2Pt2O7" +mp-755026,La2Pt2O7,-7.52159584,-2.3724047647,0.0,-0.0202950366,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:La-O-Pt, expected LaPtO10 to be La2Pt2O7" +mp-22313,Na2PtO2,-5.092301366,-1.3703891001,0.0,-0.0307879983,GGA,Immm,A2B2C_oI10_71_e_f_a:Na-O-Pt,5.0,A2B2C_oI10_71_e_f_a:Na-O-Pt +mp-1173689,Na8PtO6,-4.4241299133,-1.3353653843,0.1298495577,0.1298495577,GGA,P1,A8B6C_aP15_1_8a_6a_a:Na-O-Pt,15.0,A8B6C_aP15_1_8a_6a_a:Na-O-Pt +mp-1220904,Na8PtO6,-4.4218809707,-1.3331164417,0.1320985003,0.1320985003,GGA,P4,A8B6C_tP15_75_2d_abd_a:Na-O-Pt,15.0,"Invalid WP multiplicities - A8B6C_tP15_75_7d_abd_a:Na-O-Pt, expected Na28PtO6 to be Na8PtO6" +mp-779593,Na5LaO4,-5.1517429115,-2.0182040698,0.06167479,0.06167479,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:La-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:La-Na-O, expected Na14LaO10 to be Na5LaO4" +mp-780258,Na5LaO4,-5.1790939967,-2.045555155,0.0343237047,0.0343237047,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:La-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:La-Na-O, expected Na17LaO13 to be Na5LaO4" +mp-780218,Na5LaO4,-5.1698852949,-2.0363464532,0.0435324066,0.0435324066,GGA,P4_2/nmc,AB5C4_tP80_137_g_abd2fh_2gh:La-Na-O,80.0,"Invalid WP multiplicities - AB5C4_tP80_137_g_2a2b3d6f8h_12g3h:La-Na-O, expected Na49La2O36 to be Na5LaO4" +mp-1202255,AgSb(SeF3)2,-4.4614642923,-1.919238892,0.0297115844,0.0297115844,GGA,C2/c,AB6CD2_mC120_15_ef_2e8f_cde_3f:Ag-F-Sb-Se,60.0,AB6CD2_mC120_15_ef_2e8f_abe_3f:Ag-F-Sb-Se +mp-14653,AgSb2F12,-4.6586567173,-2.3901029778,0.0,-0.0232435495,GGA,P-1,AB12C2_aP15_2_a_6i_i:Ag-F-Sb,15.0,"Invalid WP multiplicities - AB12C2_aP15_2_a_7i_i:Ag-F-Sb, expected AgSb2F14 to be AgSb2F12" +mp-667742,SbSe5F6,-4.1975710134,-1.4411183106,0.1496978635,0.1274986677,GGA,P2_1/c,A6BC5_mP192_14_24e_4e_20e:F-Sb-Se,192.0,"Invalid WP multiplicities - A6BC5_mP192_14_93e_11e_79e:F-Sb-Se, expected Sb11Se79F93 to be SbSe5F6" +mp-1205478,SbSe5F6,-4.3472688769,-1.5908161741,0.0,-0.0221991958,GGA,P2_1/c,A6BC5_mP192_14_24e_4e_20e:F-Sb-Se,192.0,A6BC5_mP192_14_24e_4e_20e:F-Sb-Se +mp-3414,AgSbF6,-4.6657260853,-2.3619222043,0.0,-0.0409928222,GGA,Ia-3,AB6C_cI64_206_a_e_b:Ag-F-Sb,32.0,AB6C_cI64_206_a_e_b:Ag-F-Sb +mp-1195261,Ag3Sb4F24,-4.6825454327,-2.3957980718,0.0,-0.0202400094,GGA,I-43d,A3B24C4_cI124_220_a_2e_c:Ag-F-Sb,62.0,A3B24C4_cI124_220_a_2e_c:Ag-F-Sb +mp-15380,Sb9Se4F39,-4.9275561837,-2.5103958606,0.0,-0.0365153038,GGA,P2_1/c,A39B9C4_mP208_14_39e_9e_4e:F-Sb-Se,208.0,A39B9C4_mP208_14_39e_9e_4e:F-Sb-Se +mp-28684,Sb7Se8F35,-4.7400280481,-2.2645867608,0.0126940902,0.0126940902,GGA,P2_1/c,A35B7C8_mP100_14_a17e_c3e_4e:F-Sb-Se,100.0,A35B7C8_mP100_14_a17e_c3e_4e:F-Sb-Se +mp-1111617,K2RbAlBr6,-3.425027541,-1.7985197634,0.130753828,0.130753828,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-K-Rb +mp-1114046,KRb2AlBr6,-3.468026048,-1.8545047578,0.074750587,0.074750587,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-K-Rb +mp-1114149,RbTlI3,-2.608860744,-1.0562054902,0.0912211315,0.0912211315,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:I-Rb-Tl,10.0,A3BC_cF40_225_e_c_ab:I-Rb-Tl +mp-1114151,Rb3TlI6,-2.590647557,-1.1762032106,0.1362816815,0.1362816815,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Rb-Tl,10.0,A6B3C_cF40_225_e_ac_b:I-Rb-Tl +mp-1114166,Rb2TlInI6,-2.745282722,-1.1537234098,0.0760546027,0.0760546027,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Tl +mp-556164,Si(AgO)4,-5.3472055067,-1.2869502969,0.0177131144,0.0177131144,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:Ag-O-Si,18.0,A4B4C_tP18_86_g_g_a:Ag-O-Si +mp-1209067,Si(AgO)2,-4.9948947285,-0.7981332367,1.1626860168,1.1626860168,GGA,P4_2/n,A2B2C_tP20_86_g_g_c:Ag-O-Si,20.0,A2B2C_tP20_86_g_g_c:Ag-O-Si +mp-988484,Si4Ag10O13,-0.4435367902,3.7910478542,5.4229393785,5.4229393785,GGA,P-1,A10B13C4_aP54_2_10i_13i_4i:Ag-O-Si,54.0,"Invalid WP multiplicities - A10B13C4_aP54_2_19i_24i_7i:Ag-O-Si, expected Si7Ag19O24 to be Si4Ag10O13" +mp-651688,Si4Ag10O13,-5.8124258285,-1.5778411841,0.0540503402,0.0540503402,GGA,P-1,A10B13C4_aP54_2_10i_13i_4i:Ag-O-Si,54.0,"Invalid WP multiplicities - A10B13C4_aP54_2_19i_24i_7i:Ag-O-Si, expected Si7Ag19O24 to be Si4Ag10O13" +mp-1369374,Si4Ag10O13,-4.5411049411,-0.3065202967,1.3253712276,1.3253712276,GGA,P-1,A10B13C4_aP54_2_10i_13i_4i:Ag-O-Si,54.0,"Invalid WP multiplicities - A10B13C4_aP54_2_19i_24i_7i:Ag-O-Si, expected Si7Ag19O24 to be Si4Ag10O13" +mp-1186999,SiAgO3,-6.277115192,-1.6575271586,0.481597106,0.481597106,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-O-Si,5.0,AB3C_cP5_221_a_c_b:Ag-O-Si +mp-1096875,CrAgO2,-7.1902319756,-1.5954867517,0.0924799169,0.0052248663,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Ag-Cr-O,16.0,ABC2_hR12_160_a_a_2a:Ag-Cr-O +mp-19378,CrAgO2,-7.2827118925,-1.6879666685,0.0,-0.0872550506,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ag-Cr-O,8.0,ABC2_hR12_166_a_b_c:Ag-Cr-O +mp-755171,CrAgO4,-6.1762162712,-0.7974898849000001,0.4035503627,0.4035503627,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Ag-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Ag-Cr-O, expected CrAgO13 to be CrAgO4" +mp-849308,CrAgO4,-6.5487051729,-1.1699787865,0.0310614611,0.0310614611,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Ag-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Ag-Cr-O, expected CrAgO13 to be CrAgO4" +mp-754959,CrAgO4,-6.5769664333,-1.1982400469,0.0028002006,0.0028002006,GGA+U,Cmcm,ABC4_oC24_63_a_c_fg:Ag-Cr-O,12.0,"Invalid WP multiplicities - ABC4_oC24_63_a_c_f2g:Ag-Cr-O, expected CrAgO6 to be CrAgO4" +mp-542882,Cr(AgO2)2,-6.1285886689,-1.1136009087,0.0229051579,0.0229051579,GGA+U,Pnma,A2BC4_oP28_62_ac_c_2cd:Ag-Cr-O,28.0,A2BC4_oP28_62_ac_c_2cd:Ag-Cr-O +mp-541728,Si2Ag6O7,-5.6189259458,-1.4540730752,0.0469272038,0.0469272038,GGA,P2_1,A6B7C2_mP60_4_12a_14a_4a:Ag-O-Si,60.0,A6B7C2_mP60_4_12a_14a_4a:Ag-O-Si +mp-560584,Si2Ag6O7,-5.6213634500000005,-1.4565105794,0.0444896997,0.0444896997,GGA,C2/m,A6B7C2_mC90_12_i4j_a4i3j_3i:Ag-O-Si,45.0,"Invalid WP multiplicities - A6B7C2_mC90_12_2i14j_a8i11j_5i:Ag-O-Si, expected Si10Ag60O61 to be Si2Ag6O7" +mp-561313,Si2Ag6O7,-5.6150291397,-1.4501762691,0.05082401,0.05082401,GGA,P2/c,A6B7C2_mP30_13_3g_e3g_g:Ag-O-Si,30.0,"Invalid WP multiplicities - A6B7C2_mP30_13_10g_e11g_g:Ag-O-Si, expected Si2Ag20O23 to be Si2Ag6O7" +mp-27168,Cr2Ag2O7,-6.7063236327,-1.2883210941,0.0201694565,0.0201694565,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Ag-Cr-O,22.0,A2B2C7_aP22_2_2i_2i_7i:Ag-Cr-O +mp-562364,Cr2Ag2O7,-6.6988558155,-1.2808532768,0.0276372738,0.0276372738,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Ag-Cr-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_4i_2i_14i:Ag-Cr-O, expected CrAg2O7 to be Cr2Ag2O7" +mp-28195,SiAg2O3,-6.076559395,-1.7548100333,0.0406955475,0.0406955475,GGA,P2_12_12_1,A2B3C_oP24_19_2a_3a_a:Ag-O-Si,24.0,"Invalid WP multiplicities - A2B3C_oP24_19_2a_4a_a:Ag-O-Si, expected Si(AgO2)2 to be SiAg2O3" +mp-1208960,Si2Ag2O5,-6.8115474414,-2.2283039277,0.0580438225,0.0580438225,GGA,Pbcn,A2B5C2_oP36_60_d_c2d_d:Ag-O-Si,36.0,A2B5C2_oP36_60_d_c2d_d:Ag-O-Si +mp-1205049,SiAg5O4,-5.0676795852,-1.1301942961,0.0440027741,0.0440027741,GGA,Pnnm,A5B4C_oP40_58_g2h_2gh_g:Ag-O-Si,40.0,A5B4C_oP40_58_g2h_2gh_g:Ag-O-Si +mp-1200173,CrSi(Ag3O4)2,-5.6897841153,-1.2118334147,0.0506337931,0.0506337931,GGA+U,I4_1/amd,A6BC8D_tI64_141_ef_a_2h_b:Ag-Cr-O-Si,32.0,A6BC8D_tI64_141_ef_a_2h_b:Ag-Cr-O-Si +mp-546111,Cr3AgO8,-7.59053008,-1.6434294047,0.0,-0.0146170694,GGA+U,C2/m,AB3C8_mC24_12_a_ci_2ij:Ag-Cr-O,24.0,"Invalid WP multiplicities - AB3C8_mC24_12_a_2d2i_2ij:Ag-Cr-O, expected Cr6AgO8 to be Cr3AgO8" +mp-1187479,YbTaO3,-8.94258821,-3.2950978013,0.0254710724,0.0254710724,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ta-Yb,,A3BC_cP5_221_c_b_a:O-Ta-Yb +mp-20248,SrYb2O4,-6.3752853621,-2.8673618110000003,0.1526829321,0.1526829321,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:O-Sr-Yb,,A4BC2_oP28_62_4c_c_2c:O-Sr-Yb +mp-1186756,SrYbO3,-6.003040478,-2.3892069046,0.386716078,0.386716078,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Yb,,A3BC_cP5_221_c_a_b:O-Sr-Yb +mp-4574,YbTaO4,-8.73861231,-3.2079221842,0.0,-0.0266596396,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Ta-Yb,,A4BC_mP12_13_2g_e_f:O-Ta-Yb +mp-555296,YbTaO4,-8.7337930467,-3.2031029208,0.0048192633,-0.0218403763,GGA,C2/c,A4BC_mC24_15_2f_e_e:O-Ta-Yb,,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_e:O-Ta-Yb, expected YbTaO14 to be YbTaO4" +mp-1105266,Sr2YbTaO6,-7.945170907,-3.2995203986,0.0066457824,0.0066457824,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-Ta-Yb,,A6B2CD_mP20_14_3e_e_a_b:O-Sr-Ta-Yb +mp-1208553,Sr2YbTaO6,-7.8929602525,-3.2473097441,0.0588564369,0.0588564369,GGA,Pnn2,A6B2CD_oP20_34_3c_c_a_b:O-Sr-Ta-Yb,,A6B2CD_oP20_34_3c_c_a_b:O-Sr-Ta-Yb +mp-1209029,Sr3Yb2O12,-5.4101798369,-1.4391232807,0.5831206281,0.5831206281,GGA,Ia-3d,A12B3C2_cI136_230_h_c_a:O-Sr-Yb,,A12B3C2_cI136_230_h_c_a:O-Sr-Yb +mp-1202362,Yb4Ta25O68,-9.9349734418,-3.3475744084,0.0,-0.0288907508,GGA,P-62c,A68B25C4_hP194_190_7fgh8i_2fg3i_2f:O-Ta-Yb,,A68B25C4_hP194_190_7fgh8i_2fg3i_2f:O-Ta-Yb +mp-1212138,K2CeCl5,-4.7005441162,-2.5259728226,0.0,-0.0434626875,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ce-Cl-K,32.0,AB5C2_oP32_62_c_3cd_d:Ce-Cl-K +mp-1111177,K3CeCl6,-4.4165603,-2.3810097044000003,0.091415402,0.091415402,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-Cl-K,10.0,AB6C3_cF40_225_a_e_bc:Ce-Cl-K +mp-1112237,K2CeCuCl6,-4.407574683,-2.0731433151,0.085156417,0.085156417,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-Cl-Cu-K +mp-1204061,K4As2Se5,-3.8709096486,-1.0309651044,0.0,-0.0063915973,GGA,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:As-K-Se,44.0,A2B4C5_mP44_14_2e_4e_5e:As-K-Se +mp-1006891,KSmSe2,-5.1922377275,-1.9870357182,0.0,-0.1595075403,GGA,R-3m,AB2C_hR12_166_a_c_b:K-Se-Sm,4.0,AB2C_hR12_166_a_c_b:K-Se-Sm +mp-571473,K2Sm2As2Se9,-4.7723934194,-1.2764327346,0.0,-0.0246847386,GGA,Pnma,A2B2C9D2_oP120_62_4c_abd_12c3d_2d:As-K-Se-Sm,120.0,"Invalid WP multiplicities - A2B2C9D2_oP120_62_13c_2a3b4d_47c24d_14d:As-K-Se-Sm, expected K13Sm28As13Se95 to be K2Sm2As2Se9" +mp-1219176,Sm2AsSe,-6.237745575,-1.8396950368,0.01223372,-0.0569710925,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:As-Se-Sm,4.0,ABC2_tP4_123_a_d_bc:As-Se-Sm +mp-38593,Sm2AsSe,-6.2400935538,-1.8420430156,0.0098857412,-0.0593190713,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:As-Se-Sm,8.0,ABC2_tI16_141_a_b_e:As-Se-Sm +mp-1219144,Sm2AsSe,-6.249979295,-1.8519287568,0.0,-0.0692048125,GGA,R-3m,ABC2_hR12_166_a_b_c:As-Se-Sm,4.0,ABC2_hR12_166_a_b_c:As-Se-Sm +mp-18594,K3AsSe3,-3.7612594354,-1.1215380526,0.0,-0.0427971536,GGA,P2_13,AB3C3_cP28_198_a_3a_b:As-K-Se,28.0,AB3C3_cP28_198_a_3a_b:As-K-Se +mp-1208883,SmAsSe,-5.9044210917,-1.6132157524,0.0,-0.0690160053,GGA,Pnma,ABC_oP12_62_c_c_c:As-Se-Sm,12.0,ABC_oP12_62_c_c_c:As-Se-Sm +mp-1077029,SmAsSe,-5.8805169867,-1.5893116474,0.023904105,-0.0451119003,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Se-Sm,6.0,ABC_tP6_129_a_c_c:As-Se-Sm +mp-1197539,K3AsSe4,-3.7978437428,-1.0510985982,0.0,-0.0040978759,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-K-Se,32.0,AB3C4_oP32_62_c_cd_2cd:As-K-Se +mp-14659,KAsSe2,-4.0452206294,-0.8548855525,0.0,-0.0206525963,GGA,Cc,ABC2_mC32_9_2a_2a_4a:As-K-Se,16.0,ABC2_mC32_9_4a_4a_8a:As-K-Se +mp-30941,Cd2(TeO3)3,-5.4940360945,-1.5086149801,0.0047693978,0.0047693978,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Cd-O-Te,56.0,A2B9C3_mP56_14_2e_9e_3e:Cd-O-Te +mp-30940,Cd2Te2O7,-5.4054491855,-1.5182480686000002,0.0,-0.0173737,GGA,P-1,A2B7C2_aP44_2_ad3i_14i_4i:Cd-O-Te,44.0,A2B7C2_aP44_2_ad3i_14i_4i:Cd-O-Te +mp-1215505,ZnCdO2,-4.543642295,-1.5246395969000002,0.0538018875,0.0538018875,GGA,P3m1,AB2C_hP4_156_a_ab_b:Cd-O-Zn,4.0,AB2C_hP4_156_a_ab_b:Cd-O-Zn +mp-14243,Cd3TeO6,-5.0754776295,-1.5162668854,0.0,-0.1350913639,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Cd-O-Te,20.0,A3B6C_mP20_14_ae_3e_b:Cd-O-Te +mp-28290,CdTeO3,-5.3110715473,-1.5298191898,0.0,-0.0548884086,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cd-O-Te,40.0,AB3C_mP40_14_2e_6e_2e:Cd-O-Te +mp-1207534,Zn3Cd3(TeO6)2,-5.2428923331,-1.6331535115,0.0,-0.0248426122,GGA,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Cd-O-Te-Zn,80.0,A3B12C2D3_cI160_230_c_h_a_d:Cd-O-Te-Zn +mp-1215562,Zn3CdO4,-4.7092334237,-1.6481239944,0.0368643775,0.0368643775,GGA,P3m1,AB4C3_hP8_156_a_2a2b_a2b:Cd-O-Zn,8.0,AB4C3_hP8_156_a_2a2b_a2b:Cd-O-Zn +mp-1224724,InAg(MoO4)2,-7.3091673264,-1.7384131894,0.0391709387,0.0391709387,GGA+U,C2,ABC2D8_mC72_5_2ab_a2b_3a3b_12c:Ag-In-Mo-O,36.0,ABC2D8_mC72_5_2ab_a2b_3a3b_12c:Ag-In-Mo-O +mp-1097001,InAgO2,-5.1557792625,-1.2863749735,0.11089554,0.0833839094,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-In-O,4.0,ABC2_hR12_160_a_a_2a:Ag-In-O +mp-22660,InAgO2,-5.2666748025,-1.3972705135,0.0,-0.0275116306,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-In-O,4.0,ABC2_hR12_166_a_b_c:Ag-In-O +mp-20329,InAgO2,-5.2666057262,-1.3972014373,6.90762e-05,-0.0274425544,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-In-O,8.0,ABC2_hP8_194_c_a_f:Ag-In-O +mp-1180796,KCu3SnSe4,-3.8979763,-0.4089499975,0.2435969444,0.2435969444,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Sn,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Sn +mp-1228096,K4Cu4Sn7,-3.4634655053,-0.2031038084,0.0,-0.0250370674,GGA,P-42m,A4B4C7_tP180_111_4n4o_abeghkl4n2o_5n8o:Cu-K-Sn,180.0,"Invalid WP multiplicities - A4B4C7_tP180_111_4n4o_abeghkl4n2o_5n10o:Cu-K-Sn, expected K12Cu12Sn25 to be K4Cu4Sn7" +mp-504617,Ti3Co5B2,-7.814777689,-0.5560928323000001,0.0,-0.042318515,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Co-Ti,20.0,A2B5C3_tP20_127_g_cj_ag:B-Co-Ti +mp-1193707,Ti2(Co7B2)3,-7.3693827731,-0.2955204161,0.0,-0.0117631383,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Ti,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Ti +mp-1093541,Ti2CoRu,-5.110654525,2.9327715671,3.5145874225,3.5145874225,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ru-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Ru-Ti +mp-1208329,Ti20(CoB2)3,-7.7727125748,-0.2102593216,0.2224575847,0.2224575847,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Co-Ti,29.0,A6B3C20_cF116_225_e_ac_fh:B-Co-Ti +mp-1200174,Ti9Co2(B4Ru9)2,-8.78975323,-0.5289304293,0.0212272236,0.0212272236,GGA,P4/mbm,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Co-Ru-Ti,74.0,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Co-Ru-Ti +mp-1193476,Ti3(Co10B3)2,-7.4434537321,-0.3424474364,0.0,-0.007018783,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Co-Ti,29.0,A6B20C3_cF116_225_e_fh_ac:B-Co-Ti +mp-559694,Ga(MoS2)4,-7.1928044415,-1.0772432571,0.0409700795,0.0409700795,GGA,R3m,AB4C8_hR39_160_a_ab_2a2b:Ga-Mo-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_160_a_a2b_2a5b:Ga-Mo-S, expected GaMo7S17 to be Ga(MoS2)4" +mp-2885,Ga(MoS2)4,-7.1879506823,-1.0723894979,0.0458238388,0.0458238388,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Ga-Mo-S,13.0,AB4C8_cF52_216_a_e_2e:Ga-Mo-S +mp-1225113,Ga2Ge(MoS2)8,-6.9602087907,-0.8999266185,0.1818845897,0.1818845897,GGA,P-4m2,A2BC8D16_tP27_115_g_a_jk_2j2k:Ga-Ge-Mo-S,27.0,"Invalid WP multiplicities - A2BC8D16_tP27_115_g_a_3j3k_7j7k:Ga-Ge-Mo-S, expected Ga2Ge(Mo3S7)8 to be Ga2Ge(MoS2)8" +mp-1225096,Ga(MoS2)3,-7.0602928875,-1.0219183321,0.0712923559,0.0712923559,GGA,Imm2,AB3C6_oI80_44_abc_3cde_6c2d2e:Ga-Mo-S,40.0,"Invalid WP multiplicities - AB3C6_oI80_44_abc_6c2d2e_12c4d4e:Ga-Mo-S, expected Ga(MoS2)6 to be Ga(MoS2)3" +mp-1204805,Ga40GeMo8,-4.4731433657,-0.1361623528,0.0,-0.0011136236,GGA,R-3,A40BC8_hR147_148_ad6f_b_cf:Ga-Ge-Mo,49.0,A40BC8_hR147_148_ad6f_b_cf:Ga-Ge-Mo +mp-531297,Ga4GeS4,-4.4803298864,-0.7824175072,0.0204663608,0.0204663608,GGA,Pa-3,A4BC4_cP72_205_cd_c_cd:Ga-Ge-S,72.0,"Invalid WP multiplicities - A4BC4_cP72_205_6c5d_c_2c2d:Ga-Ge-S, expected Ga21GeS8 to be Ga4GeS4" +mp-1212670,GaGe(MoS2)4,-6.6075293864,-0.5985777255,0.4494315063,0.4494315063,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Ga-Ge-Mo-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Ga-Ge-Mo-S +mp-1225257,Ga40Mo8S,-4.4145869147,-0.0875360648,0.0805436893,0.0805436893,GGA,C2/m,A40B8C_mC98_12_ef8i5j_4i_a:Ga-Mo-S,49.0,"Invalid WP multiplicities - A40B8C_mC98_12_2e2f12i13j_6i_a:Ga-Mo-S, expected Ga84Mo12S to be Ga40Mo8S" +mp-675437,GaGeS4,-4.6112402792000005,-0.5784197217,0.1553602842,0.1553602842,GGA,Cc,ABC4_mC48_9_2a_2a_8a:Ga-Ge-S,24.0,"Invalid WP multiplicities - ABC4_mC48_9_3a_2a_16a:Ga-Ge-S, expected Ga3(GeS8)2 to be GaGeS4" +mp-1225014,GaGeS4,-4.6082385571,-0.5754179996000001,0.1583620063,0.1583620063,GGA,I2_12_12_1,ABC4_oI48_24_d_d_2abc2d:Ga-Ge-S,24.0,ABC4_oI48_24_d_d_2abc2d:Ga-Ge-S +mp-1225112,GaGeS4,-4.6102829333,-0.5774623758,0.1563176301,0.1563176301,GGA,Fdd2,ABC4_oF96_43_b_b_2a3b:Ga-Ge-S,24.0,"Invalid WP multiplicities - ABC4_oF96_43_b_b_3a8b:Ga-Ge-S, expected Ga2Ge2S19 to be GaGeS4" +mp-10182,LiZnP,-3.4135113333,-0.5528550056,0.0,-0.1386480303,GGA,F-43m,ABC_cF12_216_a_c_b:Li-P-Zn,3.0,ABC_cF12_216_a_c_b:Li-P-Zn +mp-961698,LiZnP,-3.28098395,-0.4203276222,0.1325273833,-0.0061206469,GGA,F-43m,ABC_cF12_216_a_b_c:Li-P-Zn,3.0,ABC_cF12_216_a_b_c:Li-P-Zn +mp-569685,LiZnP,-2.9672325733,-0.1065762456,0.44627876,0.3076307297,GGA,F-43m,ABC_cF12_216_c_a_b:Li-P-Zn,3.0,ABC_cF12_216_c_a_b:Li-P-Zn +mp-10687,LiCdP,-2.8750686933000003,-0.1266969822,0.2234345394,0.2234345394,GGA,F-43m,ABC_cF12_216_a_c_b:Cd-Li-P,3.0,ABC_cF12_216_a_c_b:Cd-Li-P +mp-1222443,Li4ZnCd3,-1.6918742075000002,-0.2338611629,0.0089788719,0.0089788719,GGA,R3m,A3B4C_hR24_160_3a_4a_a:Cd-Li-Zn,8.0,A3B4C_hR24_160_3a_4a_a:Cd-Li-Zn +mp-1097512,LiZnCd2,-0.522524525,0.7310869742,0.8976517754000001,0.8976517754000001,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Li-Zn,4.0,A2BC_oI8_71_e_a_b:Cd-Li-Zn +mp-1185432,LiZnCd2,-1.40818711,-0.1545756108,0.0119891904,0.0119891904,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Zn,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Zn +mp-1096253,Li2ZnCd,-0.6817168325,0.8184029433000001,1.0531897887,1.0531897887,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Li-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Li-Zn +mp-1222618,Li2ZnCdP2,-3.2938311067,-0.4893170872,0.0,-0.0378238236,GGA,R3m,AB2C2D_hR18_160_a_2a_2a_a:Cd-Li-P-Zn,6.0,AB2C2D_hR18_160_a_2a_2a_a:Cd-Li-P-Zn +mp-1222621,Li2ZnCdP2,-2.907670405,-0.1031563856,0.3861607017,0.3483368781,GGA,R3m,AB2C2D_hR18_160_a_2a_2a_a:Cd-Li-P-Zn,6.0,AB2C2D_hR18_160_a_2a_2a_a:Cd-Li-P-Zn +mp-10685,CdCuSb,-2.8228541067,0.2275117833,0.3164545542,0.3164545542,GGA,F-43m,ABC_cF12_216_c_a_b:Cd-Cu-Sb,3.0,ABC_cF12_216_c_a_b:Cd-Cu-Sb +mp-568800,CdCuSb,-2.92782225,0.12254364,0.2114864108,0.2114864108,GGA,F-43m,ABC_cF12_216_a_b_c:Cd-Cu-Sb,3.0,ABC_cF12_216_a_b_c:Cd-Cu-Sb +mp-1227581,Cd2Cu10Sb4S13,-4.3701314897,-0.4691763362,0.03172673,0.03172673,GGA,I-42m,A2B10C13D4_tI58_121_e_dfg_aij_i:Cd-Cu-S-Sb,29.0,"Invalid WP multiplicities - A2B10C13D4_tI58_121_e_2df2g_a4i4j_i:Cd-Cu-S-Sb, expected Cd2Cu16Sb4S49 to be Cd2Cu10Sb4S13" +mp-1247109,SmMgMoS4,-6.2818256293,-1.4660662346,0.2449265071,0.2449265071,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mo-S-Sm,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mo-S-Sm, expected SmMgMoS12 to be SmMgMoS4" +mp-1232244,SmMgS3,-5.28642254,-1.5407793829,0.373260237,0.373260237,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Sm,10.0,AB3C_mC20_12_g_ij_i:Mg-S-Sm +mp-1232277,SmMgS3,-5.3544919203,-1.6088487632,0.3051908567,0.3051908567,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-S-Sm,30.0,AB3C_hR30_148_c_f_c:Mg-S-Sm +mp-1246859,SmMg2Mo3S8,-6.4173775686,-1.1639707471,0.317404228,0.317404228,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-Sm,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-Sm, expected SmMg2Mo3S16 to be SmMg2Mo3S8" +mp-978640,Sm(Mo3S4)2,-8.034571024,-1.1756319753,0.0,-7.11891e-05,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Sm,15.0,"Invalid WP multiplicities - A6B8C_hR45_148_f_2c3f_a:Mo-S-Sm, expected Sm(Mo3S11)2 to be Sm(Mo3S4)2" +mp-1232104,Sm2MgS4,-5.9101713646,-1.9697068236,0.2005214514,0.2005214514,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Sm,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-S-Sm +mp-1232090,Sm2MgS4,-6.0777304162,-2.1372658752,0.0329623998,0.0329623998,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Sm,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-S-Sm +mp-1232094,Sm2MgS4,-6.0717275925,-2.1312630514,0.0389652236,0.0389652236,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Sm,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-S-Sm +mp-1232095,Sm2MgS4,-6.0181965543,-2.0777320132,0.0924962618,0.0924962618,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Sm,28.0,AB4C2_oP28_62_c_4c_2c:Mg-S-Sm +mp-1232122,Sm2MgS4,-5.8963179096000005,-1.9558533686,0.2143749064,0.2143749064,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Sm,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-S-Sm +mp-1232092,Sm2MgS4,-6.03346739,-2.0930028489,0.0772254261,0.0772254261,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Mg-S-Sm +mp-1232111,Sm2MgS4,-6.061165925,-2.1207013839,0.0495268911,0.0495268911,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Sm,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Sm +mp-1247038,Sm3Mg2MoS8,-6.1604721164,-1.7823601486,0.1582503598,0.1582503598,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mo-S-Sm,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mo-S-Sm, expected Sm3Mg2MoS22 to be Sm3Mg2MoS8" +mp-1100995,TlCu7S4,-4.2882357658,-0.3213283238,0.021175263,0.021175263,GGA,P1,A7B4C_aP12_1_7a_4a_a:Cu-S-Tl,12.0,A7B4C_aP12_1_7a_4a_a:Cu-S-Tl +mp-21964,TlCu7S4,-4.295571479,-0.3286640369,0.0138395499,0.0138395499,GGA,P4/n,A7B4C_tP48_85_d3g_2g_2c:Cu-S-Tl,48.0,A7B4C_tP48_85_d3g_2g_2c:Cu-S-Tl +mp-13829,TlCu3S2,-4.2011627133000005,-0.3789688983,0.0008334533,0.0008334533,GGA,C2/m,A3B2C_mC24_12_3i_2i_i:Cu-S-Tl,12.0,"Invalid WP multiplicities - A3B2C_mC24_12_5i_2i_i:Cu-S-Tl, expected TlCu5S2 to be TlCu3S2" +mp-1228765,ErTlCu,-3.83234439,-0.1558215144,0.1031788925,0.1031788925,GGA,C2/m,ABC_mC12_12_i_i_i:Cu-Er-Tl,6.0,ABC_mC12_12_i_i_i:Cu-Er-Tl +mp-1225120,Er(CuS)3,-5.2467807357,-1.0646823899,0.0,-0.0059396596,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Er-S,14.0,A3BC3_hR42_148_f_c_f:Cu-Er-S +mp-1225222,Er(CuS)3,-5.2440761286,-1.0619777828,0.0027046071,-0.0032350524,GGA,P-31m,A3BC3_hP14_162_k_c_k:Cu-Er-S,14.0,A3BC3_hP14_162_k_c_k:Cu-Er-S +mp-1192902,Tl2Cu2S3,-4.0542132425,-0.4352062091,0.0383513988,0.0383513988,GGA,Pnma,A2B3C2_oP28_62_2c_3c_2c:Cu-S-Tl,28.0,A2B3C2_oP28_62_2c_3c_2c:Cu-S-Tl +mp-1189719,Er3Tl2Cu5S8,-5.2531122117,-1.2522191556,0.0,-0.0021074798,GGA,Cm,A5B3C8D2_mC36_8_5a_3a_8a_2a:Cu-Er-S-Tl,18.0,A5B3C8D2_mC36_8_5a_3a_8a_2a:Cu-Er-S-Tl +mp-1192137,Er2TlCu3S5,-5.3679567432,-1.3245067331,0.0,-0.00470994,GGA,Cmcm,A3B2C5D_oC44_63_cf_f_c2f_c:Cu-Er-S-Tl,22.0,A3B2C5D_oC44_63_cf_f_c2f_c:Cu-Er-S-Tl +mp-14089,TlCuS2,-4.1580760462,-0.4743886586,0.0017817029,0.0017817029,GGA,I-42d,AB2C_tI16_122_a_d_b:Cu-S-Tl,8.0,AB2C_tI16_122_a_d_b:Cu-S-Tl +mp-8676,Tl(CuS)2,-4.222554066,-0.4557628219,0.0,-0.0223469394,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-S-Tl,5.0,A2B2C_tI10_139_d_e_a:Cu-S-Tl +mp-557929,Tl(Cu3S2)2,-4.3121502909,-0.3572700514,0.0163702251,0.0163702251,GGA,I4/mmm,A6B4C_tI22_139_dg_2e_a:Cu-S-Tl,11.0,"Invalid WP multiplicities - A6B4C_tI22_139_2dg_3e_a:Cu-S-Tl, expected Tl(Cu4S3)2 to be Tl(Cu3S2)2" +mp-1213670,Er3TlS6,-3.374608857,0.7138410208,2.6281346608,2.6281346608,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Er-S-Tl,10.0,A3B6C_oC20_65_de_kp_a:Er-S-Tl +mp-4123,ErTlS2,-5.538045455,-1.7372300324,0.0,-0.0664328724,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-S-Tl,4.0,AB2C_hR12_166_a_c_b:Er-S-Tl +mp-559826,ErCuS2,-5.8530098288,-1.6180535253,0.0058426363,-0.0109535997,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Cu-Er-S,16.0,"Invalid WP multiplicities - ABC2_oP16_19_a_a_3a:Cu-Er-S, expected ErCuS3 to be ErCuS2" +mp-12454,ErCuS2,-5.858852465,-1.6238961616,0.0,-0.016796236,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Er-S,16.0,ABC2_oP16_62_c_c_2c:Cu-Er-S +mp-8159,TlCu4S3,-4.2943943012,-0.3982918728,0.0010116991,0.0010116991,GGA,P4/mmm,A4B3C_tP8_123_i_ah_b:Cu-S-Tl,8.0,A4B3C_tP8_123_i_ah_b:Cu-S-Tl +mp-1048188,Ba2Sn3O7,-6.3867375192,-2.1789469839,0.2496358146,0.2496358146,GGA,Pmmm,A2B7C3_oP12_47_l_cijk_ai:Ba-O-Sn,12.0,A2B7C3_oP12_47_l_cijk_ai:Ba-O-Sn +mp-1178513,BaSnO3,-6.741308211,-2.5875856253,0.000646023,-0.04690636,GGA,Imma,AB3C_oI20_74_e_eg_a:Ba-O-Sn,10.0,"Invalid WP multiplicities - AB3C_oI20_74_e_2e2g_a:Ba-O-Sn, expected BaSnO6 to be BaSnO3" +mp-3163,BaSnO3,-6.741954234,-2.5882316482,0.0,-0.047552383,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Sn,5.0,AB3C_cP5_221_a_c_b:Ba-O-Sn +mp-1047280,Ba(SnO2)4,-6.3056621715,-1.8802181677,0.3396162082,0.3396162082,GGA,P-31m,AB8C4_hP13_162_a_ck_h:Ba-O-Sn,13.0,AB8C4_hP13_162_a_ck_h:Ba-O-Sn +mp-29243,Ba3SnO,-4.474396678,-1.5317596008,0.0,-0.037360388,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-O-Sn,5.0,A3BC_cP5_221_c_b_a:Ba-O-Sn +mp-772086,Ba4Sn3O10,-6.6653211235,-2.5964092154,0.0485389335,0.0485389335,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Ba-O-Sn,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_7f_3e4f6g_2a2f:Ba-O-Sn, expected Ba7Sn3O19 to be Ba4Sn3O10" +mp-555682,Sn(SeO3)2,-6.0294400756,-1.5092704002,0.0044642081,-0.0364991533,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:O-Se-Sn,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_9e_e_a:O-Se-Sn, expected Sn(SeO9)2 to be Sn(SeO3)2" +mp-556672,Sn(SeO3)2,-6.0339042836,-1.5137346083,0.0,-0.0409633614,GGA,Pa-3,A6B2C_cP36_205_d_c_a:O-Se-Sn,36.0,A6B2C_cP36_205_d_c_a:O-Se-Sn +mp-1201423,Ba2SnSe4O5,-5.3073083085,-1.4269240417,0.5301021277,0.5301021277,GGA,Pnma,A2B5C4D_oP48_62_d_3cd_2cd_c:Ba-O-Se-Sn,48.0,A2B5C4D_oP48_62_d_3cd_2cd_c:Ba-O-Se-Sn +mp-3359,Ba2SnO4,-6.6737255186,-2.7259717214,0.0,-0.0702980143,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-O-Sn,7.0,A2B4C_tI14_139_e_ce_a:Ba-O-Sn +mp-1048197,BaSn4O7,-6.1211015187,-1.7390945739,0.4108690698,0.4108690698,GGA,P6_3mc,AB7C4_hP24_186_b_a2c_ac:Ba-O-Sn,24.0,AB7C4_hP24_186_b_a2c_ac:Ba-O-Sn +mp-1182572,Ba2SnO16,-5.2487843389,-0.6701242803,0.3601786846,0.3601786846,GGA,P-1,A2B16C_aP19_2_i_8i_a:Ba-O-Sn,19.0,A2B16C_aP19_2_i_8i_a:Ba-O-Sn +mp-1224932,Ga2Fe6C,-7.4340084489,-0.0890101381,0.0312721925,0.0312721925,GGA,P4/mmm,AB6C2_tP9_123_a_efg_h:C-Fe-Ga,9.0,"Invalid WP multiplicities - AB6C2_tP9_123_a_2e2fg_h:C-Fe-Ga, expected Ga2Fe10C to be Ga2Fe6C" +mp-1095585,Er2Ga8Fe,-4.2434433827,-0.4406954727,0.0070251248,0.0070251248,GGA,P4/mmm,A2BC8_tP11_123_g_a_ehi:Er-Fe-Ga,11.0,A2BC8_tP11_123_g_a_ehi:Er-Fe-Ga +mp-10274,Er3GaC,-4.005390444,1.186593145,1.629007376,1.629007376,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Er-Ga,5.0,AB3C_cP5_221_a_c_b:C-Er-Ga +mp-1225739,Er2Ga3(Fe7C)2,-7.5464473686,-0.1532400537,0.017520116,0.017520116,GGA,C2/m,A2B2C14D3_mC42_12_e_i_h2i2j_af:C-Er-Fe-Ga,21.0,"Invalid WP multiplicities - A2B2C14D3_mC42_12_f_i_2h3i3j_ae:C-Er-Fe-Ga, expected Er2Ga3(Fe11C)2 to be Er2Ga3(Fe7C)2" +mp-1225138,Er(GaFe)6,-5.8289586569,-0.1707723335,0.1526859615,0.0978005957,GGA,Fmmm,AB6C6_oF52_69_a_dm_em:Er-Fe-Ga,,AB6C6_oF52_69_a_dm_em:Er-Fe-Ga +mp-1104959,Er(GaFe)6,-5.9816446185,-0.323458295,0.0,-0.0548853658,GGA,Immm,AB6C6_oI26_71_a_fk_egh:Er-Fe-Ga,13.0,AB6C6_oI26_71_a_fk_egh:Er-Fe-Ga +mp-530892,La5Mn6O18,-8.6239778331,-2.8069942441,0.2159276685,0.2159276685,GGA+U,P-1,A5B6C18_aP58_2_5i_abdf4i_18i:La-Mn-O,58.0,"Invalid WP multiplicities - A5B6C18_aP58_2_9i_abdf8i_35i:La-Mn-O, expected La9Mn10O35 to be La5Mn6O18" +mp-698617,La8Mn9O27,-8.6833653345,-2.876392842,0.2253752417,0.2253752417,GGA+U,C2/c,A8B9C27_mC176_15_2e3f_a4f_3e12f:La-Mn-O,88.0,"Invalid WP multiplicities - A8B9C27_mC176_15_3e7f_2c13f_6e44f:La-Mn-O, expected La17Mn28O94 to be La8Mn9O27" +mp-541464,La4Mn5(Si2O11)2,-8.6385342103,-3.0361762489,0.0944430151,0.0944430151,GGA+U,C2/m,A4B5C22D4_mC70_12_2i_ahi_5i3j_2i:La-Mn-O-Si,35.0,A4B5C22D4_mC70_12_2i_ahi_5i3j_2i:La-Mn-O-Si +mp-766296,La11Mn12O36,-8.7155870053,-2.9135352211,0.2069073307,0.2069073307,GGA+U,C2,A11B12C36_mC118_5_2a3b3c_6c_3a3b15c:La-Mn-O,59.0,"Invalid WP multiplicities - A11B12C36_mC118_5_2a3b6c_10c_3a3b30c:La-Mn-O, expected La17Mn20O66 to be La11Mn12O36" +mp-530347,La11Mn12O36,-8.7129974357,-2.9109456515,0.2094969003,0.2094969003,GGA+U,P2_1/m,A11B12C36_mP118_11_3e4f_abcd4f_4e16f:La-Mn-O,118.0,"Invalid WP multiplicities - A11B12C36_mP118_11_6e9f_2a2b2c2d9f_8e54f:La-Mn-O, expected La12Mn13O58 to be La11Mn12O36" +mp-1189182,LaMn7O12,-8.67583331,-2.2543143758,0.0641016439,0.0641016439,GGA+U,C2/m,AB7C12_mC40_12_a_bcdef_2i2j:La-Mn-O,20.0,AB7C12_mC40_12_a_bcdef_2i2j:La-Mn-O +mp-554800,LaMn7O12,-8.6757998205,-2.2542808863,0.0641351334,0.0641351334,GGA+U,Im-3,AB7C12_cI40_204_a_bc_g:La-Mn-O,20.0,"Invalid WP multiplicities - AB7C12_cI40_204_a_2b2c_g:La-Mn-O, expected LaMn14O12 to be LaMn7O12" +mp-530585,La7Mn8O24,-8.6850757755,-2.8756219001,0.2078641205,0.2078641205,GGA+U,P-1,A7B8C24_aP78_2_7i_8i_24i:La-Mn-O,78.0,"Invalid WP multiplicities - A7B8C24_aP78_2_13i_16i_47i:La-Mn-O, expected La13Mn16O47 to be La7Mn8O24" +mp-698640,La7Mn8O24,-8.6689617008,-2.8595078253,0.2239781952,0.2239781952,GGA+U,I-4m2,A7B8C24_tI78_119_abcef_j_gh4i:La-Mn-O,39.0,"Invalid WP multiplicities - A7B8C24_tI78_119_abc2ef_j_4g4h13i:La-Mn-O, expected La9Mn8O84 to be La7Mn8O24" +mp-758449,La9Mn10O30,-8.69836894,-2.8933714256,0.2187905497,0.2187905497,GGA+U,P1,A9B10C30_aP49_1_9a_10a_30a:La-Mn-O,49.0,A9B10C30_aP49_1_9a_10a_30a:La-Mn-O +mp-530617,La9Mn10O30,-8.696686126,-2.8916886117,0.2204733637,0.2204733637,GGA+U,P-1,A9B10C30_aP98_2_9i_10i_30i:La-Mn-O,98.0,"Invalid WP multiplicities - A9B10C30_aP98_2_16i_20i_60i:La-Mn-O, expected La4Mn5O15 to be La9Mn10O30" +mp-760199,La9Mn10O30,-8.6802922224,-2.8752947081,0.2368672672,0.2368672672,GGA+U,C2,A9B10C30_mC98_5_a4c_5c_ab14c:La-Mn-O,49.0,"Invalid WP multiplicities - A9B10C30_mC98_5_a8c_8c_ab27c:La-Mn-O, expected La17Mn16O56 to be La9Mn10O30" +mp-863425,La16Mn15O48,-8.7405153614,-2.9956115487,0.1747072663,0.1747072663,GGA+U,P-1,A16B15C48_aP79_2_8i_abcdefg4i_24i:La-Mn-O,79.0,"Invalid WP multiplicities - A16B15C48_aP79_2_15i_abcdefg7i_47i:La-Mn-O, expected La30Mn21O94 to be La16Mn15O48" +mp-758301,La16Mn15O48,-8.736047023,-2.9911432104,0.1791756047,0.1791756047,GGA+U,P-1,A16B15C48_aP79_2_8i_a7i_24i:La-Mn-O,79.0,"Invalid WP multiplicities - A16B15C48_aP79_2_16i_a13i_47i:La-Mn-O, expected La32Mn27O94 to be La16Mn15O48" +mp-772540,La16Mn15O48,-8.735884871,-2.9909810583,0.1793377567,0.1793377567,GGA+U,P-1,A16B15C48_aP79_2_8i_a7i_24i:La-Mn-O,79.0,"Invalid WP multiplicities - A16B15C48_aP79_2_15i_a14i_47i:La-Mn-O, expected La30Mn29O94 to be La16Mn15O48" +mp-760072,La7Mn8O23,-8.6883749874,-2.8562167655,0.2363729096,0.2363729096,GGA+U,Pm,A7B8C23_mP38_6_3a4b_4c_3a4b8c:La-Mn-O,38.0,"Invalid WP multiplicities - A7B8C23_mP38_6_3a4b_6c_3a4b12c:La-Mn-O, expected La7Mn12O31 to be La7Mn8O23" +mp-757379,La3Mn3O10,-8.589596619,-2.8545369750000003,0.2296393147,0.2296393147,GGA+U,P1,A3B3C10_aP48_1_9a_9a_30a:La-Mn-O,48.0,A3B3C10_aP48_1_9a_9a_30a:La-Mn-O +mp-1349963,La3Mn3O10,-8.2116940312,-2.4766343873,0.6075419024000001,0.6075419024000001,GGA+U,P1,A3B3C10_aP48_1_9a_9a_30a:La-Mn-O,48.0,A3B3C10_aP48_1_9a_9a_30a:La-Mn-O +mp-531911,La14Mn15O48,-8.6044349005,-2.8385207838,0.2225856756,0.2225856756,GGA+U,P-1,A14B15C48_aP77_2_7i_a7i_24i:La-Mn-O,77.0,"Invalid WP multiplicities - A14B15C48_aP77_2_14i_a14i_48i:La-Mn-O, expected La28Mn29O96 to be La14Mn15O48" +mp-772954,La15Mn16O48,-8.7305808243,-2.9321832371000003,0.1910332588,0.1910332588,GGA+U,P1,A15B16C48_aP79_1_15a_16a_48a:La-Mn-O,79.0,A15B16C48_aP79_1_15a_16a_48a:La-Mn-O +mp-765477,La8Mn7O24,-8.6843899821,-2.9832952909,0.2174700338,0.2174700338,GGA+U,P-1,A8B7C24_aP39_2_4i_acd2i_12i:La-Mn-O,39.0,"Invalid WP multiplicities - A8B7C24_aP39_2_8i_acd4i_24i:La-Mn-O, expected La16Mn11O48 to be La8Mn7O24" +mp-531566,La8Mn7O24,-8.6858340649,-2.9847393737,0.2160259509,0.2160259509,GGA+U,P-1,A8B7C24_aP78_2_8i_bc6i_24i:La-Mn-O,78.0,"Invalid WP multiplicities - A8B7C24_aP78_2_14i_bc11i_47i:La-Mn-O, expected La14Mn12O47 to be La8Mn7O24" +mp-530455,La12Mn11O36,-8.7238302056,-2.9934056789000003,0.1903466905,0.1903466905,GGA+U,P2_1/c,A12B11C36_mP118_14_6e_abc4e_18e:La-Mn-O,118.0,"Invalid WP multiplicities - A12B11C36_mP118_14_22e_2a2b2c10e_72e:La-Mn-O, expected La22Mn13O72 to be La12Mn11O36" +mp-674504,La13Mn14O42,-8.580860833300001,-2.7809009445,0.3411295897,0.3411295897,GGA+U,R3,A13B14C42_hR207_146_a4b_2a4b_14b:La-Mn-O,69.0,"Invalid WP multiplicities - A13B14C42_hR207_146_a10b_2a10b_40b:La-Mn-O, expected La31Mn32O120 to be La13Mn14O42" +mp-1099627,La2Mn2O5,-8.8217019283,-2.9406476672,0.0959571091,0.0959571091,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:La-Mn-O,18.0,"Invalid WP multiplicities - A2B2C5_oI36_46_c_a2b_b2c:La-Mn-O, expected La2Mn3O5 to be La2Mn2O5" +mp-531111,La6Mn5O18,-8.6445134617,-2.973254293,0.1968135428,0.1968135428,GGA+U,P-1,A6B5C18_aP58_2_6i_bd4i_18i:La-Mn-O,58.0,"Invalid WP multiplicities - A6B5C18_aP58_2_10i_bd6i_35i:La-Mn-O, expected La10Mn7O35 to be La6Mn5O18" +mp-531223,La17Mn18O54,-8.7411964442,-2.9440100796,0.1800461168,0.1800461168,GGA+U,P1,A17B18C54_aP89_1_17a_18a_54a:La-Mn-O,89.0,A17B18C54_aP89_1_17a_18a_54a:La-Mn-O +mp-757943,La10Mn9O30,-8.7065058822,-2.9877534329,0.2068280261,0.2068280261,GGA+U,P-1,A10B9C30_aP49_2_5i_a4i_15i:La-Mn-O,49.0,"Invalid WP multiplicities - A10B9C30_aP49_2_9i_a6i_30i:La-Mn-O, expected La18Mn13O60 to be La10Mn9O30" +mp-530985,La10Mn9O30,-8.7043989962,-2.9856465469,0.2089349121,0.2089349121,GGA+U,P-1,A10B9C30_aP98_2_10i_be8i_30i:La-Mn-O,98.0,"Invalid WP multiplicities - A10B9C30_aP98_2_20i_be14i_58i:La-Mn-O, expected La20Mn15O58 to be La10Mn9O30" +mp-705870,La17Mn17O54,-8.690840405,-2.9318907328,0.2276661022,0.2276661022,GGA+U,P1,A17B17C54_aP88_1_17a_17a_54a:La-Mn-O,88.0,A17B17C54_aP88_1_17a_17a_54a:La-Mn-O +mp-1278230,LaMnO3,-8.7770562735,-2.9894385673,0.1412512625,0.1412512625,GGA+U,P-1,ABC3_aP20_2_2i_abeh_6i:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_4i_abeh_12i:La-Mn-O, expected La2MnO6 to be LaMnO3" +mp-1273769,LaMnO3,-8.7477814135,-2.9601637073,0.1705261225,0.1705261225,GGA+U,C2/m,ABC3_mC40_12_ef_abcd_gh4i:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mC40_12_ef_abcd_gh8i:La-Mn-O, expected LaMnO5 to be LaMnO3" +mp-645158,LaMnO3,-8.502294801,-2.7146770948,0.416012735,0.416012735,GGA+U,P2_1/c,ABC3_mP20_14_e_ab_3e:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2a2d_11e:La-Mn-O, expected LaMn2O11 to be LaMnO3" +mp-566602,LaMnO3,-8.5035799545,-2.7159622483,0.4147275815,0.4147275815,GGA+U,P2_1/c,ABC3_mP20_14_e_ab_3e:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mC20_12_g_2a2d_3i4j:La-Mn-O, expected LaMn2O11 to be LaMnO3" +mp-557795,LaMnO3,-8.45312061,-2.6655029038,0.465186926,0.465186926,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2a2d_11e:La-Mn-O, expected LaMn2O11 to be LaMnO3" +mp-19157,LaMnO3,-8.785513627,-2.9978959208,0.132793909,0.132793909,GGA+U,C2/c,ABC3_mC20_15_e_c_ef:La-Mn-O,10.0,ABC3_mC20_15_e_c_ef:La-Mn-O +mp-1281528,LaMnO3,-8.746746991,-2.9591292848,0.171560545,0.171560545,GGA+U,Pmc2_1,ABC3_oP10_26_a_b_a2b:La-Mn-O,20.0,ABC3_oP10_26_a_b_a2b:La-Mn-O +mp-1272996,LaMnO3,-8.7482045255,-2.9605868193,0.1701030105,0.1701030105,GGA+U,Pbam,ABC3_oP10_55_c_b_ah:La-Mn-O,20.0,ABC3_oP10_55_c_b_ah:La-Mn-O +mp-1272373,LaMnO3,-8.750783121,-2.9631654148,0.167524415,0.167524415,GGA+U,Pnnm,ABC3_oP20_58_f_ab_e2g:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_oP20_58_f_ab_e5g:La-Mn-O, expected LaMnO6 to be LaMnO3" +mp-17554,LaMnO3,-8.798112388,-3.0104946818,0.120195148,0.120195148,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:La-Mn-O,20.0,ABC3_oP20_62_c_a_cd:La-Mn-O +mp-1180700,LaMnO3,-8.7554014915,-2.9677837853,0.1629060445,0.1629060445,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:La-Mn-O,20.0,ABC3_tP10_127_c_a_bg:La-Mn-O +mp-1180932,LaMnO3,-8.293129757500001,-2.5055120513,0.6251777785,0.6251777785,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c4d:La-Mn-O, expected LaMnO11 to be LaMnO3" +mp-1273223,LaMnO3,-8.6878584345,-2.9002407283,0.2304491015,0.2304491015,GGA+U,Cmmm,ABC3_oC40_65_fj_2g_abg2hp:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_oC40_65_2f2j_2g_ab2g3hp:La-Mn-O, expected La2MnO4 to be LaMnO3" +mp-1279320,LaMnO3,-8.7524285425,-2.9648108363,0.1658789935,0.1658789935,GGA+U,P4/m,ABC3_tP10_83_e_bd_ack:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_tP10_83_e_2b2d_ack:La-Mn-O, expected LaMn2O3 to be LaMnO3" +mp-1278738,LaMnO3,-8.708050088,-2.9204323818,0.210257448,0.210257448,GGA+U,P4/mmm,ABC3_tP10_123_e_ac_bdj:La-Mn-O,10.0,ABC3_tP10_123_e_ac_bdj:La-Mn-O +mp-1205375,LaMnO3,-8.75642981,-2.9688121038,0.161877726,0.161877726,GGA+U,P4/mbm,ABC3_tP10_127_c_a_bg:La-Mn-O,10.0,ABC3_tP10_127_c_a_bg:La-Mn-O +mp-1278019,LaMnO3,-8.706018016,-2.9184003098,0.21228952,0.21228952,GGA+U,I4/mmm,ABC3_tI40_139_cd_2e_abem:La-Mn-O,20.0,"Invalid WP multiplicities - ABC3_tI40_139_2c2d_2e_ab2e2m:La-Mn-O, expected La4Mn2O11 to be LaMnO3" +mp-19168,LaMnO3,-8.782970226,-2.9953525198,0.13533731,0.13533731,GGA+U,R-3c,ABC3_hR30_167_a_b_e:La-Mn-O,10.0,ABC3_hR30_167_a_b_e:La-Mn-O +mp-19025,LaMnO3,-8.717243282,-2.9296255758000003,0.201064254,0.201064254,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:La-Mn-O,5.0,ABC3_cP5_221_a_b_c:La-Mn-O +mp-1283081,LaMnO3,-8.698895915,-2.9112782088,0.219411621,0.219411621,GGA+U,Fm-3m,ABC3_cF40_225_c_ab_e:La-Mn-O,10.0,ABC3_cF40_225_c_ab_e:La-Mn-O +mp-756496,La4MnO8,-8.6037861054,-3.3361281514,0.1646979067,0.1646979067,GGA+U,Cmmm,A4BC8_oC26_65_gh_a_ghn:La-Mn-O,52.0,A4BC8_oC26_65_gh_a_ghn:La-Mn-O +mp-769598,La4MnO8,-8.6005302131,-3.3328722591,0.167953799,0.167953799,GGA+U,I4_1/amd,A4BC8_tI52_141_2e_a_2eg:La-Mn-O,52.0,A4BC8_tI52_141_2e_a_2eg:La-Mn-O +mp-772266,La6Mn3O14,-8.6719613776,-3.1782339661,0.213543149,0.213543149,GGA+U,Pc,A6B3C14_mP46_7_6a_3a_14a:La-Mn-O,46.0,"Invalid WP multiplicities - A6B3C14_mP46_7_10a_4a_26a:La-Mn-O, expected La5Mn2O13 to be La6Mn3O14" +mp-690531,La5Mn5O18,-8.3798825664,-2.6823643954,0.2549463566,0.2549463566,GGA+U,P1,A5B5C18_aP28_1_5a_5a_18a:La-Mn-O,28.0,A5B5C18_aP28_1_5a_5a_18a:La-Mn-O +mp-531717,La5Mn5O16,-8.9185320163,-3.163257733,0.0,-0.2195978055,GGA+U,P1,A5B5C16_aP78_1_15a_15a_48a:La-Mn-O,78.0,A5B5C16_aP78_1_15a_15a_48a:La-Mn-O +mp-867658,La14Mn13O42,-8.730673492,-2.9919600987,0.1841020475,0.1841020475,GGA+U,R-3,A14B13C42_hR207_148_c2f_a2f_7f:La-Mn-O,69.0,"Invalid WP multiplicities - A14B13C42_hR207_148_2c7f_a10f_35f:La-Mn-O, expected La46Mn61O210 to be La14Mn13O42" +mp-1178204,La3MnO7,-8.4038762468,-3.0768891936,0.1797901314,0.1797901314,GGA+U,P2_1,A3BC7_mP22_4_3a_a_7a:La-Mn-O,22.0,"Invalid WP multiplicities - A3BC7_mP22_4_6a_a_14a:La-Mn-O, expected La6MnO14 to be La3MnO7" +mp-1178128,La3MnO7,-8.3992528559,-3.0722658027,0.1844135223,0.1844135223,GGA+U,P2_1/c,A3BC7_mP44_14_3e_e_7e:La-Mn-O,44.0,"Invalid WP multiplicities - A3BC7_mP44_14_9e_e_28e:La-Mn-O, expected La9MnO28 to be La3MnO7" +mp-21444,LaMn2O5,-8.6309446772,-2.6317595215000003,0.082695988,0.082695988,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:La-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:La-Mn-O +mp-758462,La4Mn4O11,-8.7958105732,-2.9639334462,0.1221897793,0.1221897793,GGA+U,Pc,A4B4C11_mP38_7_4a_4a_11a:La-Mn-O,38.0,"Invalid WP multiplicities - A4B4C11_mP38_7_6a_7a_18a:La-Mn-O, expected La6Mn7O18 to be La4Mn4O11" +mp-698613,La14Mn16O45,-8.6986448941,-2.8546804121,0.2263476548,0.2263476548,GGA+U,P1,A14B16C45_aP75_1_14a_16a_45a:La-Mn-O,75.0,A14B16C45_aP75_1_14a_16a_45a:La-Mn-O +mp-685375,La19Mn19O60,-8.698406286400001,-2.9365313046,0.2200799176,0.2200799176,GGA+U,P1,A19B19C60_aP98_1_19a_19a_60a:La-Mn-O,98.0,A19B19C60_aP98_1_19a_19a_60a:La-Mn-O +mp-1199037,NaNbO3,-8.0597238452,-2.8069445518,0.0393387568,-0.0219869083,GGA,P222_1,ABC3_oP40_17_abcd_2e_abcd4e:Na-Nb-O,40.0,ABC3_oP40_17_abcd_2e_abcd4e:Na-Nb-O +mp-4681,NaNbO3,-8.086211605,-2.8334323116,0.012850997,-0.0484746681,GGA,Pmc2_1,ABC3_oP20_26_ab_c_ab2c:Na-Nb-O,20.0,ABC3_oP20_26_ab_c_ab2c:Na-Nb-O +mp-558920,NaNbO3,-8.0846001228,-2.8318208293,0.0144624792,-0.0468631858,GGA,Pca2_1,ABC3_oP40_29_2a_2a_6a:Na-Nb-O,40.0,"Invalid WP multiplicities - ABC3_oP40_29_4a_6a_22a:Na-Nb-O, expected Na2Nb3O11 to be NaNbO3" +mp-1190015,NaNbO3,-8.0824539605,-2.8296746671,0.0166086415,-0.0447170236,GGA,Pmn2_1,ABC3_oP20_31_2a_b_2a2b:Na-Nb-O,20.0,ABC3_oP20_31_2a_b_2a2b:Na-Nb-O +mp-1188528,NaNbO3,-8.082899089,-2.8301197956,0.016163513,-0.0451621521,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:Na-Nb-O,20.0,ABC3_oP20_33_a_a_3a:Na-Nb-O +mp-3671,NaNbO3,-8.084622605,-2.8318433116,0.014439997,-0.0468856681,GGA,Pbcm,ABC3_oP40_57_cd_e_cd2e:Na-Nb-O,40.0,ABC3_oP40_57_cd_e_cd2e:Na-Nb-O +mp-1198142,NaNbO3,-8.0738426315,-2.8210633381,0.0252199705,-0.0361056946,GGA,Pmmn,ABC3_oP120_59_2a2b4e_cd2g_6e2f5g:Na-Nb-O,120.0,ABC3_oP120_59_2a2b4e_cd2g_6e2f5g:Na-Nb-O +mp-1199593,NaNbO3,-8.0695008551,-2.8167215617,0.0295617469,-0.0317639182,GGA,Pmmn,ABC3_oP80_59_4a4b_cdg_4e4f2g:Na-Nb-O,80.0,ABC3_oP80_59_4a4b_cdg_4e4f2g:Na-Nb-O +mp-1105765,NaNbO3,-8.07698637,-2.8242070766,0.022076232,-0.0392494331,GGA,Pnma,ABC3_oP20_62_c_a_cd:Na-Nb-O,20.0,ABC3_oP20_62_c_a_cd:Na-Nb-O +mp-1189194,NaNbO3,-8.0726617215,-2.8198824281,0.0264008805,-0.0349247846,GGA,Pnma,ABC3_oP20_62_c_a_cd:Na-Nb-O,20.0,ABC3_oP20_62_c_a_cd:Na-Nb-O +mp-1194823,NaNbO3,-8.077170566,-2.8243912726,0.021892036,-0.0394336291,GGA,Pnma,ABC3_oP120_62_3d_ac2d_2c8d:Na-Nb-O,120.0,ABC3_oP120_62_3d_ac2d_2c8d:Na-Nb-O +mp-1195803,NaNbO3,-8.0768500973,-2.8240708039,0.0222125047,-0.0391131604,GGA,Pnma,ABC3_oP60_62_cd_ad_c4d:Na-Nb-O,60.0,ABC3_oP60_62_cd_ad_c4d:Na-Nb-O +mp-1203293,NaNbO3,-8.0776337635,-2.8248544701,0.0214288385,-0.0398968266,GGA,Pnma,ABC3_oP120_62_6c_3d_6c6d:Na-Nb-O,120.0,ABC3_oP120_62_6c_3d_6c6d:Na-Nb-O +mp-4748,NaNbO3,-8.075503793,-2.8227244996,0.023558809,-0.0377668561,GGA,Cmcm,ABC3_oC40_63_2c_d_efg:Na-Nb-O,20.0,ABC3_oC40_63_2c_d_efg:Na-Nb-O +mp-559354,NaNbO3,-8.0630368065,-2.8102575131,0.0360257955,-0.0252998696,GGA,Cmcm,ABC3_oC40_63_ac_f_bch:Na-Nb-O,20.0,"Invalid WP multiplicities - ABC3_oC40_63_ac_f_2bc3h:Na-Nb-O, expected Na2Nb2O15 to be NaNbO3" +mp-1977728,NaNbO3,-8.072796319,-2.8200170256,0.026266283,-0.0350593821,GGA,Imma,ABC3_oI20_74_e_a_eg:Na-Nb-O,10.0,ABC3_oI20_74_e_a_eg:Na-Nb-O +mp-4419,NaNbO3,-8.071345507,-2.8185662136,0.027717095,-0.0336085701,GGA,P4/mbm,ABC3_tP10_127_c_a_bg:Na-Nb-O,10.0,ABC3_tP10_127_c_a_bg:Na-Nb-O +mp-1078295,NaNbO3,-8.099062602,-2.8462833086,0.0,-0.0613256651,GGA,R-3,ABC3_hR30_148_c_c_f:Na-Nb-O,10.0,ABC3_hR30_148_c_c_f:Na-Nb-O +mp-4514,NaNbO3,-8.088202963,-2.8354236696,0.010859639,-0.0504660261,GGA,R3c,ABC3_hR30_161_a_a_b:Na-Nb-O,10.0,ABC3_hR30_161_a_a_b:Na-Nb-O +mp-3136,NaNbO3,-8.057865508,-2.8050862146,0.041197094,-0.0201285711,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Na-Nb-O,5.0,ABC3_cP5_221_a_b_c:Na-Nb-O +mp-1220584,Nb9AsO25,-9.1706762346,-2.9067310475,0.0003791977,-0.0189817425,GGA,C2,AB9C25_mC70_5_b_a4c_a12c:As-Nb-O,35.0,AB9C25_mC70_5_b_a4c_a12c:As-Nb-O +mp-759342,Nb9AsO25,-9.1710554323,-2.9071102453,0.0,-0.0193609402,GGA,P4/n,AB9C25_tP70_85_a_c2g_c6g:As-Nb-O,70.0,"Invalid WP multiplicities - AB9C25_tP70_85_a_2c10g_2c38g:As-Nb-O, expected Nb42AsO154 to be Nb9AsO25" +mp-729139,NaNb6O16,-9.0260784791,-2.8922795699,0.0586074397,0.0586074397,GGA,Amm2,AB6C16_oC46_38_b_2a2d_2a2b4d2e:Na-Nb-O,23.0,AB6C16_oC46_38_b_2a2d_2a2b4d2e:Na-Nb-O +mp-849285,Na8NbO6,-5.2110731293,-1.8536304857,0.0755581939,0.0755581939,GGA,P6_3cm,A8BC6_hP30_185_b2c_a_abc:Na-Nb-O,30.0,"Invalid WP multiplicities - A8BC6_hP30_185_2b9c_a_a3b3c:Na-Nb-O, expected Na31NbO16 to be Na8NbO6" +mp-1221378,Na2Nb2O7,-7.6126760316,-2.3877231547,0.1998071258,0.1998071258,GGA,Cc,A2B2C7_mC88_9_4a_4a_14a:Na-Nb-O,,"Invalid WP multiplicities - A2B2C7_mC88_9_5a_6a_21a:Na-Nb-O, expected Na5Nb6O21 to be Na2Nb2O7" +mp-756093,Na12NbO7,-4.5943029630000005,-1.564381486,0.0983539898,0.0983539898,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Na-Nb-O,20.0,"Invalid WP multiplicities - A12BC7_hR60_148_7f_a_b2f:Na-Nb-O, expected Na42NbO13 to be Na12NbO7" +mp-623854,NaNb3O8,-8.8944256862,-2.961096511,0.0128210235,0.0128210235,GGA,Pmmn,AB3C8_oP24_59_a_be_2a3e:Na-Nb-O,24.0,"Invalid WP multiplicities - AB3C8_oP24_59_a_be_4a11e:Na-Nb-O, expected NaNb3O26 to be NaNb3O8" +mp-14531,NaNb3O8,-8.8714280529,-2.9380988776,0.0358186568,0.0358186568,GGA,Ibam,AB3C8_oI48_72_a_bj_2jk:Na-Nb-O,24.0,AB3C8_oI48_72_a_bj_2jk:Na-Nb-O +mp-578601,NaNbO2,-7.65857945,-2.329277511,0.1991441962,0.1364502816,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Nb-O,4.0,ABC2_hR12_166_a_b_c:Na-Nb-O +mp-3744,NaNbO2,-7.8577236462,-2.5284217073,0.0,-0.0626939146,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Na-Nb-O,8.0,ABC2_hP8_194_a_c_f:Na-Nb-O +mp-560032,NaNb2AsO8,-8.0574288129,-2.5776151905,0.0,-0.00212325,GGA,P2_1/c,ABC2D8_mP48_14_e_e_2e_8e:As-Na-Nb-O,48.0,"Invalid WP multiplicities - ABC2D8_mP48_14_e_e_2e_28e:As-Na-Nb-O, expected NaNb2AsO28 to be NaNb2AsO8" +mp-5477,Na5NbO5,-6.0062114486,-2.238268261,0.0,-0.0185608548,GGA,C2/c,A5BC5_mC44_15_e2f_e_e2f:Na-Nb-O,22.0,"Invalid WP multiplicities - A5BC5_mC44_15_e3f_e_e3f:Na-Nb-O, expected Na7NbO7 to be Na5NbO5" +mp-760991,NaNb2O4,-8.5931075329,-2.6914089302,0.0184727547,0.0184727547,GGA,Pbcm,AB2C4_oP28_57_d_cd_2de:Na-Nb-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_57_d_2cd_4de:Na-Nb-O, expected NaNb3O6 to be NaNb2O4" +mp-1220976,NaNb2O4,-8.488149762900001,-2.5864511602,0.1234305247,0.1234305247,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Na-Nb-O,7.0,AB2C4_hP7_164_a_d_2d:Na-Nb-O +mp-1221379,Na3Nb12O31,-8.967659897,-2.9126471489,0.0710316942,0.0710316942,GGA,P2,A3B12C31_mP92_3_ad2e_12e_31e:Na-Nb-O,92.0,A3B12C31_mP92_3_ac2e_12e_31e:Na-Nb-O +mp-27247,Na3NbO4,-6.7444422391,-2.5124877684,0.0,-0.084214805,GGA,C2/m,A3BC4_mC64_12_abfghj_hi_2i3j:Na-Nb-O,32.0,"Invalid WP multiplicities - A3BC4_mC64_12_ab2eg2hj_hi_2i4j:Na-Nb-O, expected Na4NbO5 to be Na3NbO4" +mp-779654,Na3Nb6O11,-8.490061202,-2.5406121048,0.0985016811,0.0985016811,GGA,P-3m1,A3B6C11_hP20_164_ad_i_dfi:Na-Nb-O,20.0,"Invalid WP multiplicities - A3B6C11_hP20_164_ad_i_2d3f5i:Na-Nb-O, expected Na3Nb6O43 to be Na3Nb6O11" +mp-565593,Na3NbAs2O9,-6.087032667,-1.5598782582,0.6652489975,0.6646399085,GGA,P2_1/c,A2B3CD9_mP60_14_2e_3e_e_9e:As-Na-Nb-O,60.0,"Invalid WP multiplicities - A2B3CD9_mP60_14_7e_7e_e_31e:As-Na-Nb-O, expected Na7NbAs7O31 to be Na3NbAs2O9" +mp-1200323,Na3NbAs2O9,-6.7522816645,-2.2251272557,0.0,-0.000609089,GGA,P2_1/c,A2B3CD9_mP60_14_2e_3e_e_9e:As-Na-Nb-O,60.0,A2B3CD9_mP60_14_2e_3e_e_9e:As-Na-Nb-O +mp-770219,NbAsO4,-8.1691835317,-2.4113204833,0.0382660188,0.0382660188,GGA,Pna2_1,ABC4_oP24_33_a_a_4a:As-Nb-O,24.0,"Invalid WP multiplicities - ABC4_oP24_33_a_a_13a:As-Nb-O, expected NbAsO13 to be NbAsO4" +mp-1210182,Nb9As2O25,-8.7969367606,-2.5775700952,0.26679451,0.26679451,GGA,I4/m,A2B9C25_tI72_87_d_a2h_b6h:As-Nb-O,36.0,A2B9C25_tI72_87_d_a2h_b6h:As-Nb-O +mp-672212,NaNb13O33,-9.3126406943,-3.017316901,0.0244911791,-0.0011009416,GGA,P1,AB13C33_aP47_1_a_13a_33a:Na-Nb-O,47.0,"Invalid WP multiplicities - AB13C33_mC94_5_b_a12c_a32c:Na-Nb-O, expected NaNb25O65 to be NaNb13O33" +mp-1203846,NaNb13O33,-9.3371318734,-3.0418080801,0.0,-0.0255921208,GGA,C2/m,AB13C33_mC94_12_c_b6i_a16i:Na-Nb-O,47.0,AB13C33_mC94_12_c_a6i_b16i:Na-Nb-O +mp-559968,Na2NbAsO6,-7.099501903,-2.3909412731,0.0,-0.0080110802,GGA,C2/c,AB2CD6_mC80_15_f_2ef_f_6f:As-Na-Nb-O,40.0,"Invalid WP multiplicities - AB2CD6_mC80_15_f_4e2f_f_20f:As-Na-Nb-O, expected Na4NbAsO20 to be Na2NbAsO6" +mp-1202153,Na2Nb4O11,-8.6463462065,-2.9131787611,0.0231992951,0.0231992951,GGA,Cc,A2B4C11_mC68_9_2a_4a_11a:Na-Nb-O,34.0,A2B4C11_mC68_9_2a_4a_11a:Na-Nb-O +mp-540706,Na2Nb4O11,-8.6374654006,-2.9042979553,0.032080101,0.032080101,GGA,R-3c,A2B4C11_hR102_167_c_be_cef:Na-Nb-O,34.0,"Invalid WP multiplicities - A2B4C11_hR102_167_c_be_c2ef:Na-Nb-O, expected NaNb2O7 to be Na2Nb4O11" +mp-707376,NaNb14O36,-9.2656826206,-2.9750632194,0.036463819,0.036463819,GGA,Immm,AB14C36_oI102_71_a_2eh2n_3fg7n:Na-Nb-O,51.0,AB14C36_oI102_71_a_2eh2n_3fg7n:Na-Nb-O +mp-777584,Na7NbO6,-5.4766814286,-1.9738875456,0.0931003254,0.0931003254,GGA,R3,A7BC6_hR42_146_a2b_a_2b:Na-Nb-O,14.0,"Invalid WP multiplicities - A7BC6_hR42_146_a3b_a_3b:Na-Nb-O, expected Na10NbO9 to be Na7NbO6" +mp-867955,Na2Nb3O6,-8.3494319709,-2.6558776096,0.0,-0.0203547436,GGA,P-31c,A2B3C6_hP44_163_acf_i_2i:Na-Nb-O,44.0,"Invalid WP multiplicities - A2B3C6_hP44_163_a2c3f_i_16i:Na-Nb-O, expected Na3Nb2O32 to be Na2Nb3O6" +mp-1173787,Na2Nb3O6,-7.9561664686,-2.2626121073,0.3932655023,0.3729107587,GGA,R-3c,A2B3C6_hR66_167_c_e_f:Na-Nb-O,,A2B3C6_hR66_167_c_e_f:Na-Nb-O +mp-882823,Na8Nb5O14,-6.2393198752,-1.4118987824,1.1683044338,1.1683044338,GGA,P-1,A8B5C14_aP54_2_be7i_5i_14i:Na-Nb-O,54.0,"Invalid WP multiplicities - A8B5C14_aP54_2_be14i_9i_27i:Na-Nb-O, expected Na5Nb3O9 to be Na8Nb5O14" +mp-762344,Na8Nb5O14,-7.313379838,-2.4859587452,0.094244471,0.094244471,GGA,P-1,A8B5C14_aP54_2_be7i_5i_14i:Na-Nb-O,54.0,"Invalid WP multiplicities - A8B5C14_aP54_2_be14i_9i_27i:Na-Nb-O, expected Na5Nb3O9 to be Na8Nb5O14" +mp-29162,NaNb10O18,-9.383606921,-2.7844354557,0.0,-0.0161318429,GGA,P2_1/c,AB10C18_mP58_14_a_5e_9e:Na-Nb-O,58.0,"Invalid WP multiplicities - AB10C18_mP58_14_a_14e_35e:Na-Nb-O, expected NaNb28O70 to be NaNb10O18" +mp-1195594,Ba8Sn4S15,-5.1932589258,-1.7326354094,0.0,-0.0056326803,GGA,Pca2_1,A8B15C4_oP216_29_16a_30a_8a:Ba-S-Sn,216.0,A8B15C4_oP216_29_16a_30a_8a:Ba-S-Sn +mp-18008,Ba2HgS3,-4.4591194737,-1.7006228328000002,0.0139143671,0.0139143671,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Hg-S,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_4c_c_3c:Ba-Hg-S, expected Ba4HgS3 to be Ba2HgS3" +mp-11819,BaSnHg,-2.654087275,-0.5766782217,0.0,-0.0247070987,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Hg-Sn,6.0,ABC_hP6_194_a_c_d:Ba-Hg-Sn +mp-1194545,Ba2HgS5,-4.5512029244,-1.448217977,0.0,-0.0273231462,GGA,Pnma,A2BC5_oP32_62_d_c_3cd:Ba-Hg-S,32.0,A2BC5_oP32_62_d_c_3cd:Ba-Hg-S +mp-1183390,BaSnHgS4,-4.3961007618,-1.1420969579,0.0004953004,-0.0259174788,GGA,Pnn2,ABC4D_oP28_34_ab_c_4c_c:Ba-Hg-S-Sn,28.0,ABC4D_oP28_34_ab_c_4c_c:Ba-Hg-S-Sn +mp-555954,BaSnHgS4,-4.3965960621,-1.1425922582,0.0,-0.0264127792,GGA,Ama2,ABC4D_oC28_40_a_b_2bc_b:Ba-Hg-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oC28_40_a_b_2b2c_b:Ba-Hg-S-Sn, expected BaSnHgS6 to be BaSnHgS4" +mp-28007,BaHgS2,-4.0306749863,-1.4067862266,0.0,-0.0365666797,GGA,Pmc2_1,ABC2_oP16_26_2a_2b_a3b:Ba-Hg-S,16.0,"Invalid WP multiplicities - ABC2_oP16_26_4a_2b_a4b:Ba-Hg-S, expected Ba4Hg2S5 to be BaHgS2" +mp-541832,Ba2SnS4,-5.1892035579,-1.7044433861,0.0,-0.0078971717,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ba-S-Sn,28.0,A2B4C_mP28_14_2e_4e_e:Ba-S-Sn +mp-540689,Ba2SnS4,-5.1840329045,-1.6992727327,0.0051706534,-0.0027265183,GGA,Pna2_1,A2B4C_oP56_33_4a_8a_2a:Ba-S-Sn,56.0,A2B4C_oP56_33_4a_8a_2a:Ba-S-Sn +mp-556291,Ba3Sn2S7,-5.1450856804,-1.5841508806,0.0,-0.0022003021,GGA,P2_1/c,A3B7C2_mP48_14_3e_7e_2e:Ba-S-Sn,48.0,"Invalid WP multiplicities - A3B7C2_mP48_14_9e_26e_6e:Ba-S-Sn, expected Ba9(Sn3S13)2 to be Ba3Sn2S7" +mp-1227793,BaSn3S4,-4.886073825,-1.0743875784,0.0429575559,0.0429575559,GGA,Pm,AB4C3_mP8_6_a_2a2b_a2b:Ba-S-Sn,8.0,AB4C3_mP8_6_a_2a2b_a2b:Ba-S-Sn +mp-1204773,Ba6Sn7S20,-5.0544597627,-1.348100673,0.0,-0.0023325206,GGA,C2/c,A6B20C7_mC132_15_3f_10f_e3f:Ba-S-Sn,66.0,A6B20C7_mC132_15_3f_10f_e3f:Ba-S-Sn +mp-1096382,BaSnHg2,-0.8295842475,0.8043926337,1.251870955,1.251870955,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-Sn,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-Sn +mp-1096883,Ba5(SnS4)2,-5.1472444835,-1.7668699938,0.064972586,0.064972586,GGA,Cmce,A5B8C2_oC120_64_e2g_2f3g_df:Ba-S-Sn,60.0,A5B8C2_oC120_64_e2g_2f3g_df:Ba-S-Sn +mp-1096868,Ba7Sn3S13,-5.2002041457,-1.7551872581,0.0036557593,0.0036557593,GGA,Pnma,A7B13C3_oP92_62_c3d_3c5d_cd:Ba-S-Sn,92.0,A7B13C3_oP92_62_c3d_3c5d_cd:Ba-S-Sn +mp-1096836,Ba3SnS4,-5.1702996425,-1.8812626247,0.0557174844,0.0557174844,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Ba-S-Sn,8.0,A3B4C_cP8_221_c_bd_a:Ba-S-Sn +mp-1227862,BaSn2S3,-4.9361870017000005,-1.2116089599,0.0484566325,0.0473996746,GGA,Pm,AB3C2_mP24_6_4a_6a6b_2a6b:Ba-S-Sn,24.0,AB3C2_mP24_6_4a_6a6b_2a6b:Ba-S-Sn +mp-27802,BaSn2S3,-4.9846436342,-1.2600655924,0.0,-0.0010569579,GGA,P2_1/m,AB3C2_mP36_11_ef_3e3f_2e2f:Ba-S-Sn,36.0,"Invalid WP multiplicities - AB3C2_mP36_11_ef_3e3f_3e3f:Ba-S-Sn, expected Ba(SnS)3 to be BaSn2S3" +mp-1202711,BaSn2S5,-4.9733330153,-1.1457870173,0.0029324695,0.0029324695,GGA,Pccn,AB5C2_oP32_56_c_d2e_e:Ba-S-Sn,32.0,AB5C2_oP32_56_c_d2e_e:Ba-S-Sn +mp-1096842,Ba3SnS5,-5.1845627794,-1.8013687784,0.0420958878,0.0420958878,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ba-S-Sn,18.0,A3B5C_tI36_140_ah_cl_b:Ba-S-Sn +mp-12181,BaSnS2,-5.0942827038,-1.5439210716,0.0,-0.0163620906,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Ba-S-Sn,16.0,AB2C_mP16_14_e_2e_e:Ba-S-Sn +mp-1183370,BaSnS3,-5.0629518315,-1.3953725524,0.0156748426,0.0156748426,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ba-S-Sn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_5c_c:Ba-S-Sn, expected BaSnS5 to be BaSnS3" +mp-867912,Ba2SnHg,-2.6710090425,-0.6332085175000001,0.0,-0.0153710387,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Hg-Sn,4.0,A2BC_cF16_225_c_a_b:Ba-Hg-Sn +mp-28775,MoAs2O7,-7.209615039,-1.7305442491,0.0,-0.0063585074,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Mo-O,40.0,"Invalid WP multiplicities - A2BC7_mP40_14_2e_e_9e:As-Mo-O, expected MoAs2O9 to be MoAs2O7" +mp-1042794,MoAs2O7,-7.195924693,-1.7168539031,0.013690346,0.0073318386,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Mo-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Mo-O +mp-1221944,Mo3As2O15,-7.4073008955,-1.6045250051000002,0.0973039894,0.0973039894,GGA+U,Cc,A2B3C15_mC80_9_2a_3a_15a:As-Mo-O,40.0,"Invalid WP multiplicities - A2B3C15_mC80_9_3a_4a_22a:As-Mo-O, expected Mo4As3O22 to be Mo3As2O15" +mp-1228534,Bi13Mo6(AsO14)3,-7.1032584223,-1.841718728,0.0,-0.0017366492,GGA+U,Pc,A3B13C6D42_mP128_7_3a_13a_6a_42a:As-Bi-Mo-O,128.0,A3B13C6D42_mP128_7_3a_13a_6a_42a:As-Bi-Mo-O +mp-1367924,MoAsO5,-7.3711415686,-1.6228255584,0.1634278115,0.1634278115,GGA+U,P2_12_12_1,ABC5_oP28_19_a_a_5a:As-Mo-O,28.0,ABC5_oP28_19_a_a_5a:As-Mo-O +mp-1041702,Mo3(AsO4)4,-7.3324439591,-1.6663377274000002,0.1101358161,0.1101358161,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Mo-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Mo-O, expected Mo3(As5O29)2 to be Mo3(AsO4)4" +mp-554090,Bi7Mo2(AsO8)3,-6.8593207659,-1.8239705322,0.0,-0.0016751051,GGA+U,Pbcn,A3B7C2D24_oP144_60_cd_c3d_2c_12d:As-Bi-Mo-O,144.0,"Invalid WP multiplicities - A3B7C2D24_oP144_60_2c2d_3c19d_5c_89d:As-Bi-Mo-O, expected Bi41Mo5(As3O89)2 to be Bi7Mo2(AsO8)3" +mp-1196263,MoAsO6,-6.6175090358,-0.969396438,0.6765082621,0.6765082621,GGA+U,P2_1/c,ABC6_mP64_14_2e_2e_12e:As-Mo-O,64.0,ABC6_mP64_14_2e_2e_12e:As-Mo-O +mp-1641378,MnTe2O5,-6.6965918025,-1.6738329731,0.0165510616,0.0165510616,GGA+U,P2_12_12,AB5C2_oP32_18_ab_ab4c_2c:Mn-O-Te,32.0,"Invalid WP multiplicities - AB5C2_oP32_60_c_c3d_d:Mn-O-Te, expected MnTe2O7 to be MnTe2O5" +mp-16994,MnTe2O5,-6.7036738866,-1.6809150572,0.0094689776,0.0094689776,GGA+U,Pbcn,AB5C2_oP32_60_c_c2d_d:Mn-O-Te,32.0,AB5C2_oP32_60_c_c2d_d:Mn-O-Te +mp-19503,MnTe2O5,-6.7007962242,-1.6780373948,0.0123466399,0.0123466399,GGA+U,P4_2/nbc,AB5C2_tP64_133_ac_j2k_k:Mn-O-Te,64.0,"Invalid WP multiplicities - AB5C2_tP64_133_ac_j5k_k:Mn-O-Te, expected MnTe2O11 to be MnTe2O5" +mp-1201691,MnTe6O13,-6.1812866938,-1.5648464988000002,0.0086376222,0.0086376222,GGA+U,R-3,AB13C6_hR120_148_c_c4f_2f:Mn-O-Te,40.0,AB13C6_hR120_148_c_c4f_2f:Mn-O-Te +mp-1211172,Mn6Te5O16,-7.3425505228,-1.7930823524,0.0,-0.0080011713,GGA+U,Pnma,A6B16C5_oP108_62_3d_4c6d_3cd:Mn-O-Te,108.0,A6B16C5_oP108_62_3d_4c6d_3cd:Mn-O-Te +mp-772541,Mn3TeO8,-7.5669555817,-1.7167171267,0.074753159,0.074753159,GGA+U,C2/m,A3B8C_mC24_12_af_2ij_b:Mn-O-Te,12.0,"Invalid WP multiplicities - A3B8C_mC24_12_a2e_4i3j_b:Mn-O-Te, expected Mn5TeO20 to be Mn3TeO8" +mp-756833,Mn3TeO8,-7.5137590417,-1.6635205867,0.127949699,0.127949699,GGA+U,R-3m,A3B8C_hR36_166_d_ch_a:Mn-O-Te,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2ch_a:Mn-O-Te, expected Mn3TeO10 to be Mn3TeO8" +mp-770922,Mn3TeO8,-7.5756540471,-1.7254155921,0.0660546935,0.0660546935,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mn-O-Te,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Mn-O-Te, expected Mn3TeO30 to be Mn3TeO8" +mp-771044,Mn5Te3O16,-7.2329634608,-1.6335045642,0.1347183033,0.1347183033,GGA+U,P1,A5B16C3_aP24_1_5a_16a_3a:Mn-O-Te,24.0,A5B16C3_aP24_1_5a_16a_3a:Mn-O-Te +mp-761157,Mn4TeO8,-7.9348585315,-1.8298680122,0.0841002013,0.0841002013,GGA+U,C2/m,A4B8C_mC26_12_bce_2ij_a:Mn-O-Te,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_ac2e_2ij_b:Mn-O-Te, expected Mn6TeO8 to be Mn4TeO8" +mp-18607,Mn2Te3O8,-6.9143807673,-1.7353455401,0.0,-0.0211500766,GGA+U,C2/c,A2B8C3_mC52_15_f_4f_ef:Mn-O-Te,26.0,"Invalid WP multiplicities - A2B8C3_mC52_15_f_5f_ef:Mn-O-Te, expected Mn2Te3O10 to be Mn2Te3O8" +mp-1210598,Mn2TeO6,-7.469453085,-1.7864010022,0.0,-0.0704057181,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Mn-O-Te,18.0,A2B6C_tP18_136_e_fj_a:Mn-O-Te +mp-1176529,Mn3TeO6,-7.914403515,-1.8834551113,0.037560844,0.0186874913,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Mn-O-Te,20.0,A3B6C_mP20_14_ae_3e_b:Mn-O-Te +mp-770690,Mn3TeO6,-7.925070441,-1.8941220373,0.026893918,0.0080205653,GGA+U,R3,A3B6C_hR30_146_3a_2b_a:Mn-O-Te,20.0,"Invalid WP multiplicities - A3B6C_hR30_146_4a_2b_a:Mn-O-Te, expected Mn4TeO6 to be Mn3TeO6" +mp-18795,Mn3TeO6,-7.951964359,-1.9210159553,0.0,-0.0188733527,GGA+U,R-3,A3B6C_hR60_148_f_2f_ab:Mn-O-Te,20.0,A3B6C_hR60_148_f_2f_ab:Mn-O-Te +mp-1176417,MnTeO3,-7.1696906485,-1.7406131847,0.0337047038,0.0337047038,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Te,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Te +mp-1210642,MnTeO3,-6.9738733585,-1.5447958947,0.2295219938,0.2295219938,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Mn-O-Te,20.0,AB3C_oP20_62_c_cd_a:Mn-O-Te +mp-755237,MnTeO4,-6.9283347983,-1.5796554599,0.134033003,0.134033003,GGA+U,P2/m,AB4C_mP6_10_b_mn_c:Mn-O-Te,6.0,"Invalid WP multiplicities - AB4C_mP6_10_b_2m2n_c:Mn-O-Te, expected MnTeO8 to be MnTeO4" +mp-1046628,Mn5Zn4(TeO6)3,-6.7882644427,-1.8109522632,0.0119921178,0.0119921178,GGA+U,C2/c,A5B18C3D4_mC120_15_e2f_9f_af_2f:Mn-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_e4f_35f_c2f_6f:Mn-O-Te-Zn, expected Mn9Zn12(TeO14)5 to be Mn5Zn4(TeO6)3" +mp-1046509,Mn5(TeO6)3,-7.1216070396,-1.5723612341000002,0.0845155028,0.0845155028,GGA+U,C2/c,A5B18C3_mC104_15_e2f_9f_af:Mn-O-Te,52.0,"Invalid WP multiplicities - A5B18C3_mC104_15_e4f_35f_c2f:Mn-O-Te, expected Mn9(TeO14)5 to be Mn5(TeO6)3" +mp-1190974,SiAg2S3,-4.5381578625,-0.621527923,0.0060626874,0.0060626874,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Ag-S-Si,24.0,A2B3C_mP24_14_2e_3e_e:Ag-S-Si +mp-7614,Si(Ag4S3)2,-3.9243260488,-0.3973616983,0.0,-0.0112861589,GGA,Pna2_1,A8B6C_oP60_33_8a_6a_a:Ag-S-Si,60.0,"Invalid WP multiplicities - A8B6C_oP60_33_11a_6a_a:Ag-S-Si, expected SiAg11S6 to be Si(Ag4S3)2" +mp-1219303,Si3Ag10S11,-4.2790702967,-0.5248010192,0.0068608778,0.0068608778,GGA,P-1,A10B11C3_aP48_2_10i_11i_3i:Ag-S-Si,48.0,A10B11C3_aP48_2_10i_11i_3i:Ag-S-Si +mp-1202024,Pr4(SiS4)3,-6.2043361508,-1.7287058607,0.0136611577,0.0136611577,GGA,R3c,A4B12C3_hR114_161_ab_4b_b:Pr-S-Si,38.0,A4B12C3_hR114_161_ab_4b_b:Pr-S-Si +mp-863751,Pr3SiAgS7,-6.0956531038,-1.7993414065,0.0,-0.0315106139,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Pr-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Ag-Pr-S-Si +mp-559955,Pr6Si4S17,-6.2535872672,-1.7829815492,0.0,-0.007975424,GGA,P-1,A6B17C4_aP54_2_6i_17i_4i:Pr-S-Si,54.0,"Invalid WP multiplicities - A6B17C4_aP54_2_11i_32i_7i:Pr-S-Si, expected Pr11Si7S32 to be Pr6Si4S17" +mp-34486,Pr5AgS8,-6.3796855793,-2.1062081712,0.0215639785,0.0215639785,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Pr-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_cg_4g:Ag-Pr-S, expected Pr5AgS16 to be Pr5AgS8" +mp-1202790,Pr2SiS5,-6.1543224722,-1.6956501129,0.1768213675,0.1768213675,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Pr-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:Pr-S-Si +mp-1209396,Pr2SiS5,-6.3291410672,-1.8704687079,0.0020027725,0.0020027725,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Pr-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:Pr-S-Si +mp-1080726,Zn3CrS4,-4.63306856,-0.8858088391000001,0.1286530477,0.1286530477,GGA,P-43m,AB4C3_cP8_215_a_e_c:Cr-S-Zn,8.0,AB4C3_cP8_215_a_e_c:Cr-S-Zn +mp-1444973,Zn(CrS2)4,-6.5018617008,-0.8892822835,0.0765564938,0.0765564938,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Cr-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Cr-S-Zn, expected Zn(Cr2S7)2 to be Zn(CrS2)4" +mp-1404017,Zn(CrS2)4,-6.4895598869,-0.8769804696,0.0888583077,0.0888583077,GGA,R-3m,A4B8C_hR39_166_ad_ch_b:Cr-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_ad_c2h_b:Cr-S-Zn, expected Zn(Cr2S7)2 to be Zn(CrS2)4" +mp-1215673,ZnCr2(SeS)2,-6.0604208279,-0.9417692223,0.0147743136,0.0147743136,GGA,F-43m,A2B2C2D_cF56_216_e_e_e_ac:Cr-S-Se-Zn,14.0,A2B2C2D_cF56_216_e_e_e_ac:Cr-S-Se-Zn +mp-1048312,ZnCr2S5,-5.8745959981,-0.7185850126000001,0.1995630226,0.1995630226,GGA,Pmmn,A2B5C_oP16_59_e_a2e_b:Cr-S-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Cr-S-Zn +mp-1045448,Zn(CrS2)2,-6.1905084,-0.8888458261000001,0.1592945529,0.1248675915,GGA,Imma,A2B4C_oI28_74_ac_hi_b:Cr-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_2a2c_4h3i_b:Cr-S-Zn, expected Zn(Cr2S7)2 to be Zn(CrS2)2" +mp-4194,Zn(CrS2)2,-6.3498029529,-1.0481403789,0.0,-0.0344269613,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cr-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Cr-S-Zn +mp-555321,BaNiF4,-5.9426252225,-3.3851206408,0.0,-0.1377168939,GGA+U,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-F-Ni,12.0,"Invalid WP multiplicities - AB4C_oC24_36_a_6a_a:Ba-F-Ni, expected BaNiF6 to be BaNiF4" +mp-556041,Ba2NiF6,-5.87123087,-3.5282352739,0.116506525,0.116506525,GGA+U,I4/mmm,A2B6C_tI18_139_e_cde_a:Ba-F-Ni,9.0,"Invalid WP multiplicities - A2B6C_tI18_139_e_2cde_a:Ba-F-Ni, expected Ba2NiF8 to be Ba2NiF6" +mp-613910,BaNiF6,-5.0408789775,-2.6448807994,0.0,-0.1060403188,GGA+U,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Ni,8.0,AB6C_hR24_166_a_h_b:Ba-F-Ni +mp-1219599,RbBa2Ni2F9,-5.5976799421,-3.1989607979,0.1132195336,0.1132195336,GGA+U,R3m,A2B9C2D_hR42_160_2a_3b_2a_a:Ba-F-Ni-Rb,14.0,A2B9C2D_hR42_160_2a_3b_2a_a:Ba-F-Ni-Rb +mp-27680,Ba2Ni3F10,-5.7484529273,-3.0622429543,0.1097235513,0.1097235513,GGA+U,C2/m,A2B10C3_mC60_12_2i_eh4i2j_g2i:Ba-F-Ni,30.0,A2B10C3_mC60_12_2i_eg4i2j_h2i:Ba-F-Ni +mp-1215007,Ba3NiF12,-4.7736774494,-2.61900188,0.2703178606,0.2703178606,GGA+U,C2/m,A3B12C_mC32_12_ce_3j_a:Ba-F-Ni,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_d:Ba-F-Ni, expected Ba3NiF40 to be Ba3NiF12" +mp-560626,Ba2Ni7F18,-5.6532119889,-2.7381924313,0.0548333896,0.0548333896,GGA+U,P-1,A2B18C7_aP27_2_i_9i_a3i:Ba-F-Ni,27.0,"Invalid WP multiplicities - A2B18C7_aP27_2_i_10i_a3i:Ba-F-Ni, expected Ba2Ni7F20 to be Ba2Ni7F18" +mp-1041199,Ba2Ni2F11,-5.0683098478,-2.6400103889,0.1529183787,0.1529183787,GGA+U,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Ni,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Ni, expected Ba5Ni5F31 to be Ba2Ni2F11" +mp-1112098,K2DyAgCl6,-4.218376517,-2.1432404473,0.0365237843,0.0365237843,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Dy-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Dy-K +mp-1189706,CdTcO3,-6.785474975,-1.5607560072000002,0.1159108135,0.1159108135,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cd-O-Tc,20.0,AB3C_oP20_62_c_cd_a:Cd-O-Tc +mp-1235290,LiCd4(TcO3)4,-6.5760679443,-1.509244029,0.1853592638,0.1853592638,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc +mp-1236280,LiCd4(TcO3)4,-6.5777814905,-1.5109575752,0.1836457176,0.1836457176,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc +mp-1236711,LiCd4(TcO3)4,-6.5708080433,-1.503984128,0.1906191648,0.1906191648,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Li-O-Tc +mp-1236065,LiCd4(TcO3)4,-6.5803051233000005,-1.513481208,0.1811220848,0.1811220848,GGA,Pm,A4BC12D4_mP21_6_2a2b_a_2a2b4c_2c:Cd-Li-O-Tc,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_2a2b_a_2a2b8c_4c:Cd-Li-O-Tc, expected LiCd4(Tc2O5)4 to be LiCd4(TcO3)4" +mp-1192130,Cd2Tc2O7,-6.8941475355,-1.6947040456,0.0,-0.0220634286,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Tc,22.0,A2B7C2_cF88_227_c_af_d:Cd-O-Tc +mp-1185203,LiCdO3,-4.218561136,-0.6841853839,0.5380530354,0.5380530354,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cd-Li-O,5.0,ABC3_cP5_221_a_b_c:Cd-Li-O +mp-570135,SnHg7(P2Br3)2,-2.6012890013,-0.5398048670000001,0.0,-0.0149118178,GGA,P2_13,A6B7C4D_cP72_198_2b_a2b_4a_a:Br-Hg-P-Sn,72.0,"Invalid WP multiplicities - A6B7C4D_cP72_198_17b_4a15b_11a_a:Br-Hg-P-Sn, expected SnHg49P11Br51 to be SnHg7(P2Br3)2" +mp-16403,SnHgP14,-5.0124374352,-0.0062194781,0.0,-0.0015677373,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Hg-P-Sn,64.0,AB14C_oP64_62_c_4c5d_c:Hg-P-Sn +mp-1110874,K2InAgCl6,-3.569637324,-1.6800115653,0.006189199,0.006189199,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-In-K +mp-1210234,Na4Ho2(IrO4)3,-6.8942016967,-2.1165595067,0.0,-0.0102473605,GGA,P-62m,A2B3C4D12_hP21_189_c_g_bf_2fk:Ho-Ir-Na-O,21.0,A2B3C4D12_hP21_189_c_g_bf_2fk:Ho-Ir-Na-O +mp-755617,NaHoO2,-7.1226073469,-3.1730294504,0.0,-0.1119001233,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:Ho-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_4e_3e_7f:Ho-Na-O, expected Na3Ho4O14 to be NaHoO2" +mp-755141,NaHoO2,-7.115417785,-3.1658398885,0.0071895619,-0.1047105614,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ho-Na-O,8.0,ABC2_tI16_141_a_b_e:Ho-Na-O +mp-1101151,NaHoO2,-7.118774975,-3.1691970785,0.0038323719,-0.1080677514,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Na-O,4.0,ABC2_hR12_166_a_b_c:Ho-Na-O +mp-1220804,NaHoIrO4,-7.2704486114,-2.3375738702,0.0378731474,0.0378731474,GGA,Amm2,ABCD4_oC42_38_ad_be_bd_2a2d3e:Ho-Ir-Na-O,21.0,"Invalid WP multiplicities - ABCD4_oC42_38_ad_be_bd_2a2d6e:Ho-Ir-Na-O, expected NaHoIrO6 to be NaHoIrO4" +mp-1520558,BaTb4DyO12,-7.4638373489,-2.7736434203,0.3607560222,0.3607560222,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ba-Dy-O-Tb,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ba-Dy-O-Tb, expected BaTb4DyO18 to be BaTb4DyO12" +mp-1520584,BaTb2DyO6,-8.0143310165,-3.4668683918,0.1401221113,0.1401221113,GGA,P2_1/m,ABC6D2_mP20_11_e_e_2e2f_ad:Ba-Dy-O-Tb,20.0,"Invalid WP multiplicities - ABC6D2_mP20_11_e_e_4e8f_2a2c:Ba-Dy-O-Tb, expected BaTb4DyO20 to be BaTb2DyO6" +mp-1520593,BaTb2DyO6,-7.797056883,-3.2495942583,0.3573962448,0.3573962448,GGA,Cmmm,ABC6D2_oC20_65_a_b_ehj_f:Ba-Dy-O-Tb,10.0,ABC6D2_oC20_65_a_b_ehj_f:Ba-Dy-O-Tb +mp-1520554,BaTb2DyO6,-7.9576371555,-3.4101745307,0.1968159723,0.1968159723,GGA,P4_2/mmc,ABC6D2_tP40_131_ac_bd_opq_n:Ba-Dy-O-Tb,40.0,"Invalid WP multiplicities - ABC6D2_tP40_131_ac_2b2d_5o5pq_n:Ba-Dy-O-Tb, expected BaTb2Dy2O22 to be BaTb2DyO6" +mp-1209969,NaHo(Pd3O4)2,-6.2316716188,-1.4468131992,0.0,-0.0297292814,GGA,Pm-3,ABC8D6_cP16_200_a_b_i_f:Ho-Na-O-Pd,16.0,ABC8D6_cP16_200_a_b_i_f:Ho-Na-O-Pd +mp-1212958,DyTa5Ag2O15,-9.2523065674,-3.0018231906,0.0463286159,0.0463286159,GGA,P4/mbm,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Dy-O-Ta,46.0,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Dy-O-Ta +mp-1027758,LiMg14Co,-1.9027239375,0.0610986476,0.0941889468,0.0941889468,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Li-Mg, expected LiMg18Co to be LiMg14Co" +mp-1027718,LiMg14Co,-1.9003329531,0.063489632,0.0965799311,0.0965799311,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Li-Mg, expected LiMg26Co to be LiMg14Co" +mp-1444113,MgCoF4,-5.69886508,-2.9731127942,0.1174108333,0.1174108333,GGA+U,I222,AB4C_oI24_23_f_2k_ab:Co-F-Mg,12.0,"Invalid WP multiplicities - AB4C_oI24_23_f_5k_ab:Co-F-Mg, expected MgCoF10 to be MgCoF4" +mp-1443950,MgCoF6,-5.0906408213,-2.568456865,0.0,-0.0529349294,GGA+U,R-3,AB6C_hR24_148_a_f_b:Co-F-Mg,8.0,AB6C_hR24_148_a_f_b:Co-F-Mg +mp-1022040,LiMg6Co,-2.2136873175,0.1136778027,0.1531075527,0.1531075527,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Li-Mg, expected LiMg12Co to be LiMg6Co" +mp-1099284,LiMg6Co,-2.2091785313,0.118186589,0.157616339,0.157616339,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Li-Mg,8.0,ABC6_oC16_38_a_b_abde:Co-Li-Mg +mp-1222326,LiMgCoF6,-5.3493426733,-2.8952988381,0.069150225,0.069150225,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Co-F-Li-Mg,18.0,AB6CD_tP18_102_a_3c_a_a:Co-F-Li-Mg +mp-1343674,MgCoF5,-5.3476460239,-2.7382184979,0.1366637143,0.1366637143,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Co-F-Mg,28.0,AB5C_mP28_14_e_5e_e:Co-F-Mg +mp-1385961,MgCoF5,-5.4609281207,-2.8515005946,0.0233816175,0.0233816175,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Co-F-Mg,14.0,"Invalid WP multiplicities - AB5C_mC28_15_c_e3f_e:Co-F-Mg, expected MgCoF7 to be MgCoF5" +mp-8716,K2MnSe2,-4.802145603,-1.1272183747,0.0,-0.0775209873,GGA,Ibam,A2BC2_oI20_72_j_a_j:K-Mn-Se,10.0,A2BC2_oI20_72_j_a_j:K-Mn-Se +mp-1180832,KMnCu3Se4,-4.6252869433,-0.5637669256,0.0525796223,0.0525796223,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-K-Mn-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-K-Mn-Se +mp-18481,K6MnSe4,-3.9254955159,-1.2156723446,0.0,-0.01934464,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:K-Mn-Se,22.0,A6BC4_hP22_186_2c_b_bc:K-Mn-Se +mp-1207101,KMnSe2,-5.240568475,-0.9245091764,0.0101107153,0.0101107153,GGA,I-4m2,ABC2_tI8_119_a_c_e:K-Mn-Se,4.0,ABC2_tI8_119_a_c_e:K-Mn-Se +mp-1209869,SmTa6Br13O3,-6.6876520758,-1.8661439741,0.0,-0.0226312822,GGA,I4_122,A13B3CD6_tI184_98_cdf5g_cg_c_3g:Br-O-Sm-Ta,92.0,A13B3CD6_tI184_98_cdf5g_cg_c_3g:Br-O-Sm-Ta +mp-15433,K2Ga2Sb3,-3.3877312027,-0.4357321085,0.0,-0.0082394057,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:Ga-K-Sb,56.0,A2B2C3_mP56_14_4e_4e_6e:Ga-K-Sb +mp-15724,KNa2Sb,-2.4442043,-0.4730916065,0.0,-0.0052164662,GGA,Fm-3m,AB2C_cF16_225_a_c_b:K-Na-Sb,4.0,AB2C_cF16_225_a_c_b:K-Na-Sb +mp-1225850,K30Ga9Sb19,-2.9002597947,-0.5034346882,0.0,-0.0377488684,GGA,R-3,A9B30C19_hR348_148_3f_10f_ab6f:Ga-K-Sb,116.0,"Invalid WP multiplicities - A9B30C19_hR348_148_16f_46f_ab32f:Ga-K-Sb, expected K138Ga48Sb97 to be K30Ga9Sb19" +mp-30077,K2GaSb2,-3.1987594318,-0.4973801525,0.0,-0.0245331988,GGA,Pnma,AB2C2_oP40_62_2c_2d_4c:Ga-K-Sb,40.0,"Invalid WP multiplicities - AB2C2_oP40_62_4c_2d_5c:Ga-K-Sb, expected K4Ga4Sb5 to be K2GaSb2" +mp-29374,KGaSb4,-3.7949060633,-0.3524894084,0.0,-0.0545598042,GGA,Pnma,ABC4_oP24_62_c_c_4c:Ga-K-Sb,24.0,ABC4_oP24_62_c_c_4c:Ga-K-Sb +mp-1100427,KNaSb,-2.3817712933,-0.1944627999,0.29721635,0.29721635,GGA,F-43m,ABC_cF12_216_a_c_b:K-Na-Sb,3.0,ABC_cF12_216_a_c_b:K-Na-Sb +mp-6112,K6Na3GaSb4,-2.6505822314,-0.4952914782,0.0,-0.0106724814,GGA,P6_3/mmc,AB6C3D4_hP28_194_c_k_h_ah:Ga-K-Na-Sb,28.0,AB6C3D4_hP28_194_c_k_h_ah:Ga-K-Na-Sb +mp-29383,KGaSb2,-3.5186319109,-0.4195075486,0.0,-0.0087482501,GGA,Cmce,ABC2_oC128_64_2g_de2f_6fg:Ga-K-Sb,64.0,ABC2_oC128_64_2g_de2f_6fg:Ga-K-Sb +mp-17538,K3SbSe3,-3.72733149,-1.1633411309,0.0,-0.0898710025,GGA,P2_13,A3BC3_cP28_198_3a_a_b:K-Sb-Se,28.0,"Invalid WP multiplicities - A3BC3_cP28_198_4a_a_b:K-Sb-Se, expected K4SbSe3 to be K3SbSe3" +mp-8704,K3SbSe4,-3.7748440481,-1.0943635492,0.0,-0.0129880245,GGA,R3c,A3BC4_hR48_161_b_a_ab:K-Sb-Se,16.0,"Invalid WP multiplicities - A3BC4_hR48_161_b_a_2a2b:K-Sb-Se, expected K3SbSe8 to be K3SbSe4" +mp-1173309,Sm10Sb3Se7,-6.014554398,-1.8123421273,0.0,-0.0002062485,GGA,C2/m,A3B7C10_mC40_12_cg_bg2h_i2j:Sb-Se-Sm,20.0,"Invalid WP multiplicities - A3B7C10_mC40_12_cg_a2g3h_2i7j:Sb-Se-Sm, expected Sm32Sb3Se11 to be Sm10Sb3Se7" +mp-542642,KSbSe2,-3.9800345094,-0.9222287238,0.0145775437,-0.019134134,GGA,P-1,ABC2_aP16_2_2i_2i_4i:K-Sb-Se,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_8i:K-Sb-Se, expected K2Sb3Se8 to be KSbSe2" +mp-9576,KSbSe2,-3.9946120531,-0.9368062675,0.0,-0.0337116777,GGA,P2/c,ABC2_mP16_13_g_g_2g:K-Sb-Se,16.0,ABC2_mP16_13_g_g_2g:K-Sb-Se +mp-1203735,Sm3Sb4Se9,-5.025669283,-1.1422338665,0.1282863973,0.1282863973,GGA,Pnma,A4B9C3_oP64_62_4c_9c_3c:Sb-Se-Sm,64.0,A4B9C3_oP64_62_4c_9c_3c:Sb-Se-Sm +mp-567322,KSm2Sb3Se8,-4.884626085,-1.2487784594,0.0,-0.0046357374,GGA,Pnma,AB3C8D2_oP56_62_c_3c_8c_2c:K-Sb-Se-Sm,56.0,"Invalid WP multiplicities - AB3C8D2_oP56_62_c_9c_31c_5c:K-Sb-Se-Sm, expected KSm5Sb9Se31 to be KSm2Sb3Se8" +mp-9797,K(SbSe2)2,-4.0971204136,-0.7611136511000001,0.0,-0.00507017,GGA,P-1,AB2C4_aP14_2_i_2i_4i:K-Sb-Se,14.0,AB2C4_aP14_2_i_2i_4i:K-Sb-Se +mp-505138,K2PdSe10,-4.0186467844,-0.7602010551,0.0,-0.0848249866,GGA,I-42d,A2BC10_tI104_122_e_ab_5e:K-Pd-Se,52.0,"Invalid WP multiplicities - A2BC10_tI104_122_e_ab_10e:K-Pd-Se, expected K2PdSe20 to be K2PdSe10" +mp-683041,K2Pd3Se4,-4.43629111,-0.9091700839,0.0077033544,-0.0555616494,GGA,P1,A2B3C4_aP18_1_4a_6a_8a:K-Pd-Se,18.0,A2B3C4_aP18_1_4a_6a_8a:K-Pd-Se +mp-14339,K2Pd3Se4,-4.4439944644,-0.9168734384,0.0,-0.0632650039,GGA,Fddd,A2B3C4_oF72_70_e_ae_h:K-Pd-Se,18.0,"Invalid WP multiplicities - A2B3C4_oF72_70_e_a2e_h:K-Pd-Se, expected K2Pd5Se4 to be K2Pd3Se4" +mp-1212720,K2Pd3Se2,-4.1389611839,-0.602923144,0.1741162361,0.1741162361,GGA,Fddd,A2B3C2_oF112_70_h_ch_h:K-Pd-Se,28.0,A2B3C2_oF112_70_h_ch_h:K-Pd-Se +mp-11114,KCuPdSe5,-4.2016870825,-0.7180564806,0.0,-0.016095632,GGA,P2_1/m,ABCD5_mP16_11_e_e_a_3ef:Cu-K-Pd-Se,16.0,ABCD5_mP16_11_e_e_a_3ef:Cu-K-Pd-Se +mp-1069706,K2PdSe2,-3.966355664,-1.0878551321,0.0,-0.036163544,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pd-Se,5.0,A2BC2_oI10_71_e_c_g:K-Pd-Se +mp-570241,K6PdSe20,-3.8711564838,-0.8429896303000001,0.0,-0.0039040326,GGA,Pbcn,A6BC20_oP108_60_a3cd_b_10d:K-Pd-Se,108.0,"Invalid WP multiplicities - A6BC20_oP108_60_4a8c6d_b_71d:K-Pd-Se, expected K24PdSe142 to be K6PdSe20" +mp-1326175,Ge3(TeO6)2,-6.3331990259,-1.6557896208,0.0761146429,0.0761146429,GGA,Ia-3d,A3B12C2_cI136_230_d_h_a:Ge-O-Te,68.0,A3B12C2_cI136_230_d_h_a:Ge-O-Te +mp-3252,SrTe3O8,-6.1044979196,-1.880087851,0.0050947058,0.0050947058,GGA,P4_2/m,A8BC3_tP24_84_2jk_e_cj:O-Sr-Te,24.0,A8BC3_tP24_84_2jk_e_cj:O-Sr-Te +mp-1200112,Sr3TeO6,-6.5373339705,-2.7481421184,0.002083612,-0.1521627602,GGA,P-1,A6B3C_aP80_2_24i_12i_abcdefgh:O-Sr-Te,80.0,A6B3C_aP80_2_24i_12i_abcdefgh:O-Sr-Te +mp-1364876,Sr3TeO6,-1.5344105525,2.2547812996,5.00500703,4.8507606578,GGA,P-1,A6B3C_aP80_2_24i_12i_abcdefgh:O-Sr-Te,80.0,A6B3C_aP80_2_24i_12i_abcdefgh:O-Sr-Te +mp-768941,Sr3TeO6,-6.5394175825000005,-2.7502257304,0.0,-0.1542463722,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:O-Sr-Te,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_9e_2a2e_b:O-Sr-Te, expected Sr6TeO18 to be Sr3TeO6" +mp-768907,Sr3TeO6,-6.517277445,-2.7280855929000003,0.0221401375,-0.1321062347,GGA,R3,A6B3C_hR30_146_2b_3a_a:O-Sr-Te,10.0,"Invalid WP multiplicities - A6B3C_hR30_146_4b_3a_a:O-Sr-Te, expected Sr3TeO12 to be Sr3TeO6" +mp-772918,Sr3TeO6,-6.4860350716,-2.6968432195,0.0533825109,-0.1008638614,GGA,Ia-3,A6B3C_cI160_206_2e_e_ab:O-Sr-Te,80.0,"Invalid WP multiplicities - A6B3C_cI160_206_11e_e_2a2b:O-Sr-Te, expected Sr3Te2O33 to be Sr3TeO6" +mp-1196481,Sr3Te4O11,-6.25880258,-2.2557314824,0.0008889206,-0.023136579,GGA,P1,A11B3C4_aP36_1_22a_6a_8a:O-Sr-Te,36.0,A11B3C4_aP36_1_22a_6a_8a:O-Sr-Te +mp-30026,Sr3Te4O11,-6.2596915006,-2.2566204029,0.0,-0.0240254995,GGA,P-1,A11B3C4_aP36_2_11i_3i_4i:O-Sr-Te,36.0,A11B3C4_aP36_2_11i_3i_4i:O-Sr-Te +mp-4274,SrTeO4,-6.3780733004,-2.2748142685,0.0,-0.1501842563,GGA,Pbcn,A4BC_oP24_60_2d_c_c:O-Sr-Te,24.0,A4BC_oP24_60_2d_c_c:O-Sr-Te +mp-554142,Ge(TeO3)2,-6.207911855,-1.6979371984,0.0,-0.0082629473,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Ge-O-Te,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_6e_e:Ge-O-Te, expected Ge(TeO6)2 to be Ge(TeO3)2" +mp-1184641,GeTeO3,-5.53675326,-1.0154732836,0.6836629341,0.6836629341,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Te,5.0,AB3C_cP5_221_b_c_a:Ge-O-Te +mp-706599,Sr6Te6O17,-6.2298764632,-2.3302039056,0.0400088655,0.0400088655,GGA,C2/c,A17B6C6_mC232_15_17f_ce5f_6f:O-Sr-Te,116.0,A17B6C6_mC232_15_17f_ce5f_6f:O-Sr-Te +mp-10341,SrGeTeO6,-6.62281138,-2.274371439,0.0,-0.065188239,GGA,P312,AB6CD_hP9_149_a_l_d_e:Ge-O-Sr-Te,9.0,AB6CD_hP9_149_a_l_d_e:Ge-O-Sr-Te +mp-662523,SrTeO3,-6.285391332,-2.3508182359,0.0291854792,0.0073419823,GGA,P1,A3BC_aP30_1_18a_6a_6a:O-Sr-Te,30.0,A3BC_aP30_1_18a_6a_6a:O-Sr-Te +mp-1179315,SrTeO3,-6.3137425461,-2.37916945,0.0008342651,-0.0210092318,GGA,P1,A3BC_aP120_1_72a_24a_24a:O-Sr-Te,120.0,A3BC_aP120_1_72a_24a_24a:O-Sr-Te +mp-667421,SrTeO3,-6.3103943172,-2.3758212211,0.004182494,-0.0176610029,GGA,P-1,A3BC_aP120_2_36i_bc11i_12i:O-Sr-Te,120.0,"Invalid WP multiplicities - A3BC_mC240_15_68f_2c2e18f_23f:O-Sr-Te, expected Sr20Te23O68 to be SrTeO3" +mp-561385,SrTeO3,-6.3145768112,-2.3800037151,0.0,-0.0218434969,GGA,C2,A3BC_mC120_5_18c_ab5c_6c:O-Sr-Te,60.0,"Invalid WP multiplicities - A3BC_mC120_5_36c_ab10c_11c:O-Sr-Te, expected Sr11Te11O36 to be SrTeO3" +mp-647158,SrTeO3,-6.3107305627,-2.3761574667,0.0038462484,-0.0179972484,GGA,Cc,A3BC_mC240_9_36a_12a_12a:O-Sr-Te,120.0,A3BC_aP120_1_72a_24a_24a:O-Sr-Te +mp-972117,SrTeO3,-6.313603564,-2.3790304679,0.0009732472,-0.0208702497,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:O-Sr-Te,20.0,A3BC_mP20_14_3e_e_e:O-Sr-Te +mp-1179320,SrTeO3,-6.3126163808,-2.3780432848,0.0019604303,-0.0198830665,GGA,C2/c,A3BC_mC240_15_18f_ce5f_6f:O-Sr-Te,120.0,"Invalid WP multiplicities - A3BC_mC240_15_68f_2c2e18f_23f:O-Sr-Te, expected Sr20Te23O68 to be SrTeO3" +mp-676528,SrTe5O11,-5.7470522232,-1.5223699442,0.2417936861,0.2417936861,GGA,P2/m,A11BC5_mP34_10_5m6n_ae_ch2m2n:O-Sr-Te,34.0,"Invalid WP multiplicities - A11BC5_mP34_10_10m11n_ah_ce4m4n:O-Sr-Te, expected Sr(Te3O7)3 to be SrTe5O11" +mp-551900,PrBi2BrO4,-6.5940361338,-2.368827735,0.0,-0.0689889838,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Pr,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Pr +mp-1209360,Pr5Bi3Br,-5.2034431428,-1.0946626433,0.0,-0.041605894,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Br-Pr,18.0,A3BC5_hP18_193_g_b_dg:Bi-Br-Pr +mp-1283971,CoPtO2,-6.7523663125,-0.9841591781,0.05808428,0.042035731,GGA+U,P2/c,AB2C_mP8_13_e_g_f:Co-O-Pt,16.0,AB2C_mP8_13_e_g_f:Co-O-Pt +mp-19210,CoPtO2,-6.8104505925000005,-1.0422434581,0.0,-0.016048549,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Co-O-Pt,16.0,AB2C_hR12_166_a_c_b:Co-O-Pt +mp-1277413,CoPtO2,-6.7616091044,-0.99340197,0.0488414881,0.0327929391,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Co-O-Pt,16.0,AB2C_hR12_166_a_c_b:Co-O-Pt +mp-754768,Tb2Pt2O7,-7.5453642118,-2.4510169556,0.0,-0.1340692092,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Tb,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pt-Tb, expected TbPtO10 to be Tb2Pt2O7" +mp-19802,TbCoO3,-7.9451875995,-2.6286375937,0.0,-0.0185811136,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Co-O-Tb +mp-1208543,Tb2CoPtO6,-7.787471557,-2.5746399988,0.0265085427,0.0265085427,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-Pt-Tb,20.0,AB6CD2_mP20_14_a_3e_b_e:Co-O-Pt-Tb +mp-19238,Co(PtO2)3,-6.524561416,-1.0243764138,0.0,-0.051008239,GGA+U,Cmmm,AB6C3_oC20_65_a_hp_bf:Co-O-Pt,40.0,AB6C3_oC20_65_a_hp_bf:Co-O-Pt +mp-27622,Na2PbO2,-4.8336181215,-1.5834031056,0.0,-0.1309473492,GGA,Pbcn,A2B2C_oP40_60_2cd_2d_d:Na-O-Pb,40.0,"Invalid WP multiplicities - A2B2C_oP40_60_3cd_2d_d:Na-O-Pb, expected Na5(PbO2)2 to be Na2PbO2" +mp-1210368,Na2PbO3,-5.2188380096,-1.6858773778,0.0,-0.1526793533,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Pb,24.0,A2B3C_mC48_15_aef_3f_2e:Na-O-Pb +mp-728989,NaGe4(PbO4)3,-6.4105791174,-1.8949369945,0.054455787,0.054455787,GGA,Pnnm,A4BC12D3_oP80_58_2gh_ac_e3g4h_gh:Ge-Na-O-Pb,80.0,A4BC12D3_oP80_58_2gh_ac_e3g4h_gh:Ge-Na-O-Pb +mp-557401,Na6PbO5,-4.6023877896,-1.5706175907,0.0,-0.0028034296,GGA,Cmcm,A6B5C_oC48_63_efg_ch_c:Na-O-Pb,24.0,"Invalid WP multiplicities - A6B5C_oC48_63_3e2f4g_2c2h_c:Na-O-Pb, expected Na18PbO10 to be Na6PbO5" +mp-563025,Na6PbO5,-4.5686259733,-1.5368557744,0.0337618162,0.0309583867,GGA,I4mm,A6B5C_tI24_107_bc_ad_a:Na-O-Pb,12.0,"Invalid WP multiplicities - A6B5C_tI24_107_2b2c_a2d_a:Na-O-Pb, expected Na12PbO9 to be Na6PbO5" +mp-27623,Na6PbO4,-4.3014966068,-1.443809909,0.0608059248,0.0608059248,GGA,I-43m,A6B4C_cI88_217_2g_abg_c:Na-O-Pb,44.0,"Invalid WP multiplicities - A6B4C_cI88_217_13g_a3b4g_c:Na-O-Pb, expected Na78Pb2O29 to be Na6PbO4" +mp-20088,Na4PbO4,-4.8095993,-1.6107656235,0.0,-0.0017281038,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Na-O-Pb,18.0,A4B4C_aP18_2_4i_4i_i:Na-O-Pb +mp-1186153,NaPbO3,-5.068154572,-1.0931068726,0.3085681224,0.3085681224,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Pb,5.0,AB3C_cP5_221_a_c_b:Na-O-Pb +mp-772740,Ba4Lu6O13,-7.9437271372,-3.6346594795,0.0492858045,0.0492858045,GGA,P1,A4B6C13_aP46_1_8a_12a_26a:Ba-Lu-O,46.0,"Invalid WP multiplicities - A4B6C13_oI92_45_5c_9c_a21c:Ba-Lu-O, expected Ba10Lu18O43 to be Ba4Lu6O13" +mp-1178543,Ba4Lu6O13,-7.9435818985,-3.6345142408,0.0494310432,0.0494310432,GGA,Iba2,A4B6C13_oI92_45_2c_3c_a6c:Ba-Lu-O,46.0,"Invalid WP multiplicities - A4B6C13_oI92_45_5c_9c_a21c:Ba-Lu-O, expected Ba10Lu18O43 to be Ba4Lu6O13" +mp-752442,BaLu2O4,-8.1499375025,-3.7574188132,0.0052579773,0.0052579773,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Lu-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Ba-Lu-O, expected BaLu5O13 to be BaLu2O4" +mp-780535,BaLu2O4,-8.108310815,-3.7157921257,0.0468846648,0.0468846648,GGA,Cmcm,AB2C4_oC28_63_c_f_acf:Ba-Lu-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_63_c_f_a2c2f:Ba-Lu-O, expected BaLu2O7 to be BaLu2O4" +mp-542832,Ba3Lu4O9,-7.9220580813,-3.6495002499,0.0,-0.0087239316,GGA,R3,A3B4C9_hR48_146_3a_4a_3b:Ba-Lu-O,16.0,A3B4C9_hR48_146_3a_4a_3b:Ba-Lu-O +mp-1193997,BaLuCo4O7,-7.4462797688,-2.1001245674,0.0132376873,0.0132376873,GGA+U,Cc,AB4CD7_mC52_9_a_4a_a_7a:Ba-Co-Lu-O,26.0,AB4CD7_mC52_9_a_4a_a_7a:Ba-Co-Lu-O +mp-1200479,BaLuCo4O7,-7.4476675933,-2.1015123918,0.0118498628,0.0118498628,GGA+U,Pna2_1,AB4CD7_oP52_33_a_4a_a_7a:Ba-Co-Lu-O,52.0,AB4CD7_oP52_33_a_4a_a_7a:Ba-Co-Lu-O +mp-16868,BaLuCo4O7,-7.4278286612,-2.0816734597,0.031688795,0.031688795,GGA+U,P6_3mc,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Lu-O,26.0,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Lu-O +mp-17736,BaLu2CoO5,-7.888480905,-3.1326323126,0.0842169531,0.0842169531,GGA+U,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Co-Lu-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_62_c_c_4c_c2d:Ba-Co-Lu-O, expected BaLu4CoO5 to be BaLu2CoO5" +mp-4452,Cd(GaS2)2,-4.3329749414,-0.9722776168,0.0,-0.0309813586,GGA,I-4,AB2C4_tI14_82_a_bc_g:Cd-Ga-S,7.0,AB2C4_tI14_82_a_bc_g:Cd-Ga-S +mp-624929,CdInGaS4,-3.9394038014,-0.6181939471,0.3066741389,0.3066741389,GGA,P3m1,ABCD4_hP7_156_b_a_a_2abc:Cd-Ga-In-S,7.0,ABCD4_hP7_156_b_a_a_2abc:Cd-Ga-In-S +mp-630773,CdInGaS4,-4.1622045271,-0.8409946729000001,0.0838734132,0.0838734132,GGA,P-3m1,ABCD4_hP14_164_c_d_d_4d:Cd-Ga-In-S,14.0,"Invalid WP multiplicities - ABCD4_hP14_164_c_d_d_8d:Cd-Ga-In-S, expected CdInGaS8 to be CdInGaS4" +mp-1096341,CdIn2Ga,-1.2818588925,1.0817294181,1.0817294181,1.0817294181,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Ga-In,4.0,ABC2_oI8_71_a_b_e:Cd-Ga-In +mp-559200,Cd(InS2)2,-4.1591809393,-0.8774585554000001,0.0,-0.0286392445,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-In-S,14.0,AB2C4_cF56_227_a_d_e:Cd-In-S +mp-1224212,InGaS3,-4.4842644076,-0.846438537,0.0760103657,0.0531064198,GGA,P1,ABC3_aP25_1_5a_5a_15a:Ga-In-S,25.0,ABC3_aP25_1_5a_5a_15a:Ga-In-S +mp-19885,InGaS3,-4.543096339,-0.9052704684,0.0171784343,-0.0057255116,GGA,Cmc2_1,ABC3_oC20_36_a_a_3a:Ga-In-S,10.0,ABC3_oC20_36_a_a_3a:Ga-In-S +mp-1224507,InGaS3,-4.261768841,-0.6239429704,0.2985059323,0.2756019864,GGA,P3m1,ABC3_hP10_156_ab_ac_3a3b:Ga-In-S,10.0,ABC3_hP10_156_ab_ac_3a3b:Ga-In-S +mp-504951,InGaS3,-4.5602747733,-0.9224489027,0.0,-0.022903946,GGA,P6_1,ABC3_hP30_169_a_a_3a:Ga-In-S,30.0,ABC3_hP30_169_a_a_3a:Ga-In-S +mp-20519,CdInS2,-3.609734,-0.6228656941,0.1905019369,0.1905019369,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cd-In-S,4.0,ABC2_hP4_164_a_b_d:Cd-In-S +mp-1224167,In2GaS4,-4.34821935,-0.7657532143,0.1053946899,0.1053946899,GGA,P3m1,AB2C4_hP7_156_a_bc_2a2b:Ga-In-S,7.0,AB2C4_hP7_156_a_bc_2a2b:Ga-In-S +mp-12063,Ce(AgGe)2,-4.549778052,-0.3809266777,0.1589235611,0.1589235611,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Ce-Ge,5.0,A2BC2_tI10_139_d_a_e:Ag-Ce-Ge +mp-640597,Ce3(AgGe)4,-5.0653960436,-0.7361594165,0.0,-0.2834976167,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Ag-Ce-Ge,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_2e2h:Ag-Ce-Ge, expected Ce3(AgGe2)4 to be Ce3(AgGe)4" +mp-606703,Ce4(GeS4)3,-6.1213994961,-1.5298816757,0.0101498599,0.0101498599,GGA,R3c,A4B3C12_hR114_161_ab_b_4b:Ce-Ge-S,38.0,"Invalid WP multiplicities - A4B3C12_hR114_161_2a2b_b_16b:Ce-Ge-S, expected Ce8(GeS16)3 to be Ce4(GeS4)3" +mp-866604,Ce3AgGeS7,-6.1647377688,-1.6472377361,0.0087842946,0.0087842946,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Ag-Ce-Ge-S,24.0,AB3CD7_hP24_173_a_c_b_b2c:Ag-Ce-Ge-S +mp-675328,Ce4GeS3,-7.0087262312,-1.9131344718,0.0,-0.0038357712,GGA,I4/mmm,A4BC3_tI16_139_ce_a_bd:Ce-Ge-S,8.0,A4BC3_tI16_139_ce_a_bd:Ce-Ge-S +mp-675643,Ce5AgS8,-6.7562456507,-2.0712741712,0.0328014565,0.0328014565,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Ce-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_4g:Ag-Ce-S, expected Ce9AgS16 to be Ce5AgS8" +mp-11215,CeAgGe,-4.9691940767,-0.5063030722,0.1685097262,0.1685097262,GGA,P6_3mc,ABC_hP6_186_b_a_b:Ag-Ce-Ge,6.0,ABC_hP6_186_b_a_b:Ag-Ce-Ge +mp-1226804,Ce3GeS2,-6.8958392333,-1.779973391,0.0,-0.0010596997,GGA,Immm,A3BC2_oI12_71_ae_c_f:Ce-Ge-S,6.0,"Invalid WP multiplicities - A3BC2_oI12_71_a2e_c_f:Ce-Ge-S, expected Ce5GeS2 to be Ce3GeS2" +mp-1204068,Yb3InS6,-4.8141948723,-1.5952740951000002,0.1485435252,0.1485435252,GGA,P2_12_12,AB6C3_oP40_18_ab_6c_3c:In-S-Yb,,AB6C3_oP40_18_ab_6c_3c:In-S-Yb +mp-541277,CaYbInS4,-4.8113380386,-1.5480964161,0.1667524906,0.1667524906,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_a:Ca-In-S-Yb,,ABC4D_oP28_62_c_c_2cd_a:Ca-In-S-Yb +mp-1227503,Ca(InS2)2,-4.6816109057,-1.2452156475,0.0367730084,0.0367730084,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Ca-In-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h2i:Ca-In-S, expected Ca(InS4)2 to be Ca(InS2)2" +mp-685526,Ca28(Yb5S16)3,-5.219446182,-2.1666932759,0.1470639533,0.1470639533,GGA,P1,A28B48C15_aP91_1_28a_48a_15a:Ca-S-Yb,,A28B48C15_aP91_1_28a_48a_15a:Ca-S-Yb +mp-1192928,Ca(YbS2)2,-5.0467765896,-1.9566886029,0.1910205546,0.1910205546,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-S-Yb,,AB4C2_oP28_62_c_4c_2c:Ca-S-Yb +mp-675650,Ca(YbS2)2,-4.9656521843,-1.8755641975,0.27214496,0.27214496,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ca-S-Yb,,AB4C2_tI28_122_a_e_d:Ca-S-Yb +mp-5737,TbCuS2,-5.88143876,-1.6298206341,0.0,-0.0160603227,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cu-S-Tb,16.0,AB2C_mP16_14_e_2e_e:Cu-S-Tb +mp-1018637,Tb(CuS)2,-5.234459606,-1.0133237713,0.290532736,0.290532736,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-S-Tb,5.0,A2B2C_hP5_164_d_d_a:Cu-S-Tb +mp-1217848,Tb(CuS)3,-5.2609837607,-1.0693643735,0.0,-0.0072362303,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-S-Tb,14.0,A3B3C_hR42_148_f_f_c:Cu-S-Tb +mp-1217873,Tb12Ge5S28,-6.1122325193,-1.7889407694,0.0163337564,0.0163337564,GGA,P1,A5B28C12_aP45_1_5a_28a_12a:Ge-S-Tb,45.0,A5B28C12_aP45_1_5a_28a_12a:Ge-S-Tb +mp-557517,Tb3CuGeS7,-6.0320473804,-1.7336738893,0.0,-0.0228494095,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-S-Tb,24.0,"Invalid WP multiplicities - ABC7D3_hP24_173_a_b_2b10c_c:Cu-Ge-S-Tb, expected Tb3CuGeS32 to be Tb3CuGeS7" +mp-541578,Li4Mo5O17,-7.7124728656,-2.0987170922,0.0143378915,0.0143378915,GGA+U,P-1,A4B5C17_aP52_2_4i_5i_17i:Li-Mo-O,52.0,A4B5C17_aP52_2_4i_5i_17i:Li-Mo-O +mp-690581,Li6Mo2O7,-6.6200111413,-2.1019005814,0.0303240827,0.0303240827,GGA+U,Pma2,A6B2C7_oP30_28_a2b3c_ac_3c2d:Li-Mo-O,30.0,"Invalid WP multiplicities - A6B2C7_oP30_28_2a2b5c_2ac_4c4d:Li-Mo-O, expected Li3MoO4 to be Li6Mo2O7" +mp-1223041,Li11(MoO2)12,-7.6861950751,-1.9443550342,0.0491476013,0.0491476013,GGA+U,P-1,A11B12C24_aP47_2_bcd4i_6i_12i:Li-Mo-O,47.0,"Invalid WP multiplicities - A11B12C24_aP47_2_bcd4i_12i_24i:Li-Mo-O, expected Li11(MoO2)24 to be Li11(MoO2)12" +mp-1199885,Li12Mo5O17,-6.9117577626,-2.1697273791,0.0053948785,0.0053948785,GGA+U,P-1,A12B5C17_aP68_2_12i_5i_17i:Li-Mo-O,68.0,A12B5C17_aP68_2_12i_5i_17i:Li-Mo-O +mp-1223167,Li7Eu3(MoO4)8,-7.8624885184,-2.0786344163,0.2480235952,0.2480235952,GGA+U,P1,A3B7C8D32_aP50_1_3a_7a_8a_32a:Eu-Li-Mo-O,50.0,A3B7C8D32_aP50_1_3a_7a_8a_32a:Eu-Li-Mo-O +mp-557229,Li2Mo4O13,-7.9114972623,-2.0426867665,0.0111485924,0.0111485924,GGA+U,P-1,A2B4C13_aP57_2_3i_6i_a19i:Li-Mo-O,57.0,"Invalid WP multiplicities - A2B4C13_aP57_2_6i_9i_a38i:Li-Mo-O, expected Li12Mo18O77 to be Li2Mo4O13" +mp-816836,Li2Mo4O13,-4.3740404847,1.494770011,3.5486053699,3.5486053699,GGA+U,P-1,A2B4C13_aP57_2_3i_6i_a19i:Li-Mo-O,57.0,A2B4C13_aP57_2_3i_6i_a19i:Li-Mo-O +mp-557525,Li2Mo4O13,-7.9110022289,-2.0421917331,0.0116436258,0.0116436258,GGA+U,P2_1,A2B4C13_mP114_4_6a_12a_39a:Li-Mo-O,114.0,"Invalid WP multiplicities - A2B4C13_mP114_4_10a_24a_76a:Li-Mo-O, expected Li5(Mo6O19)2 to be Li2Mo4O13" +mp-25273,LiMo3O8,-8.0213227717,-1.8530408644,0.2116190357,0.2116190357,GGA+U,R3m,AB3C8_hR36_160_a_b_2a2b:Li-Mo-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_160_a_b_2a3b:Li-Mo-O, expected LiMo3O11 to be LiMo3O8" +mp-1212055,Li(MoO2)3,-6.049371245,0.3632293014,2.3732841839,2.3732841839,GGA+U,Cmmm,AB3C6_oC20_65_a_de_kp:Li-Mo-O,10.0,AB3C6_oC20_65_a_de_kp:Li-Mo-O +mp-530102,Li21Mo11O32,-7.074491185,-2.1106854011,0.0291997262,0.0291997262,GGA+U,C2/m,A21B11C32_mC128_12_ag2h3i2j_bf2j_4i6j:Li-Mo-O,64.0,"Invalid WP multiplicities - A21B11C32_mC128_12_ag3h6i6j_be4j_8i14j:Li-Mo-O, expected Li45Mo19O72 to be Li21Mo11O32" +mp-1212253,LiEu(MoO4)2,-8.4459378996,-2.3267100182,0.0205062335,0.0205062335,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Eu-Li-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Eu-Li-Mo-O +mp-1211266,Li4(MoO4)3,-7.2061420789,-1.9675680615,0.1132330017,0.1132330017,GGA+U,Pnma,A4B3C12_oP76_62_2cd_cd_2c5d:Li-Mo-O,76.0,A4B3C12_oP76_62_2cd_cd_2c5d:Li-Mo-O +mp-29508,Li(MoO3)3,-8.0926075678,-2.0182943679,0.0144389663,0.0144389663,GGA+U,P-1,AB3C9_aP104_2_4i_12i_36i:Li-Mo-O,104.0,AB3C9_aP104_2_4i_12i_36i:Li-Mo-O +mp-1202737,Li2MoO4,-7.1939306056,-2.2724662215,0.0013277437,-0.1002288801,GGA+U,P3_2,A2BC4_hP126_145_12a_6a_24a:Li-Mo-O,126.0,A2BC4_hP126_145_12a_6a_24a:Li-Mo-O +mp-18050,Li2MoO4,-7.1952583493,-2.2737939652,0.0,-0.1015566238,GGA+U,R-3,A2BC4_hR126_148_2f_f_4f:Li-Mo-O,42.0,"Invalid WP multiplicities - A2BC4_hR126_148_9f_f_18f:Li-Mo-O, expected Li9MoO18 to be Li2MoO4" +mp-698666,Li2MoO3,-7.0225617902,-2.1053014607,0.0444738665,0.0301101737,GGA+U,P1,A2BC3_aP48_1_16a_8a_24a:Li-Mo-O,48.0,A2BC3_aP48_1_16a_8a_24a:Li-Mo-O +mp-694855,Li2MoO3,-7.0539601392,-2.1366998097,0.0130755175,-0.0012881752,GGA+U,P-1,A2BC3_aP12_2_bci_i_3i:Li-Mo-O,12.0,"Invalid WP multiplicities - A2BC3_aP12_2_bci_i_4i:Li-Mo-O, expected Li2MoO4 to be Li2MoO3" +mp-1223324,Li2MoO3,-7.0541557981,-2.1368954686,0.0128798585,-0.0014838342,GGA+U,P-1,A2BC3_aP48_2_abcdfg5i_eh3i_12i:Li-Mo-O,48.0,"Invalid WP multiplicities - A2BC3_aP48_2_abcdfg7i_eh3i_24i:Li-Mo-O, expected Li5(MoO6)2 to be Li2MoO3" +mp-35975,Li2MoO3,-7.0670356567,-2.1497753272,0.0,-0.0143636927,GGA+U,C2/m,A2BC3_mC24_12_adg_h_ij:Li-Mo-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_acg_h_2i2j:Li-Mo-O, expected Li2MoO6 to be Li2MoO3" +mp-690551,Li4Mo3O8,-7.383196564,-2.0667864649,0.0575144737,0.0575144737,GGA+U,R-3m,A4B3C8_hR45_166_ae_d_ch:Li-Mo-O,15.0,"Invalid WP multiplicities - A4B3C8_hR45_166_ae_d_2c3h:Li-Mo-O, expected Li4Mo3O22 to be Li4Mo3O8" +mp-554485,Li4Mo3O8,-7.36038371,-2.0439736109,0.0803273277,0.0803273277,GGA+U,R-3m,A4B3C8_hR90_166_ab3c_h_2c2h:Li-Mo-O,30.0,"Invalid WP multiplicities - A4B3C8_hR90_166_ab5c_h_4c8h:Li-Mo-O, expected Li6Mo3O28 to be Li4Mo3O8" +mp-566257,Li4Mo3O8,-7.394573118,-2.0781630189,0.0461379197,0.0461379197,GGA+U,R-3m,A4B3C8_hR45_166_abc_d_ch:Li-Mo-O,15.0,"Invalid WP multiplicities - A4B3C8_hR45_166_abc_d_2c3h:Li-Mo-O, expected Li4Mo3O22 to be Li4Mo3O8" +mp-795937,Li4MoO5,-3.2476779625,1.0738005508,3.3097554415,3.28406293,GGA+U,P-1,A4BC5_aP20_2_bd3i_i_5i:Li-Mo-O,20.0,A4BC5_aP20_2_bd3i_i_5i:Li-Mo-O +mp-1415265,Li4MoO5,-5.144592576,-0.8231140627,1.412840828,1.3871483165,GGA+U,P-1,A4BC5_aP20_2_bc3i_i_5i:Li-Mo-O,20.0,A4BC5_aP20_2_bc3i_i_5i:Li-Mo-O +mp-675020,Li4MoO5,-6.557433404,-2.2359548907,0.0,-0.0256925115,GGA+U,I4,A4BC5_tI20_79_c_a_ac:Li-Mo-O,10.0,A4BC5_tI20_79_c_a_ac:Li-Mo-O +mp-29324,Li(Mo4O5)2,-8.4551276884,-1.1845481695,0.5120291531,0.5120291531,GGA+U,I4_1md,AB8C10_tI76_109_a_4b_5b:Li-Mo-O,38.0,"Invalid WP multiplicities - AB8C10_tI76_109_a_4b_6b:Li-Mo-O, expected Li(Mo2O3)4 to be Li(Mo4O5)2" +mp-1080020,LiMoO2,-7.46543927,-1.8034516702,0.1880804597,0.1880804597,GGA+U,C2/m,ABC2_mC16_12_ad_i_2i:Li-Mo-O,8.0,ABC2_mC16_12_ac_i_2i:Li-Mo-O +mp-690493,LiMoO2,-7.5982053469,-1.9362177471,0.0553143828,0.0553143828,GGA+U,P2_1/c,ABC2_mP16_14_e_e_2e:Li-Mo-O,16.0,ABC2_oP8_58_a_c_g:Li-Mo-O +mp-35899,LiMoO2,-7.5988909025,-1.9369033027,0.0546288272,0.0546288272,GGA+U,Pnnm,ABC2_oP8_58_a_c_g:Li-Mo-O,8.0,ABC2_oP8_58_a_c_g:Li-Mo-O +mp-19338,LiMoO2,-7.6245545675,-1.9625669677,0.0289651622,0.0289651622,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Li-Mo-O,4.0,ABC2_hR12_166_a_b_c:Li-Mo-O +mp-25576,Li(MoO2)2,-8.189042405,-1.9909027005,0.013859967,0.013859967,GGA+U,C2/c,AB2C4_mC28_15_e_ac_2f:Li-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_15_e_ac_7f:Li-Mo-O, expected Li(MoO7)2 to be Li(MoO2)2" +mp-636380,Li(MoO2)2,-8.1863877814,-1.9882480769,0.0165145905,0.0165145905,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Li-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_15_e_2a2c_6f:Li-Mo-O, expected Li(MoO3)4 to be Li(MoO2)2" +mp-25387,Li(MoO2)2,-7.9710493936,-1.772909689,0.2318529784,0.2318529784,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Li-Mo-O,14.0,AB2C4_cF56_227_a_d_e:Li-Mo-O +mp-1105634,Ni5(AsO6)2,-6.3747234189,-1.2389768534,0.0733186139,0.0733186139,GGA+U,C2/m,A2B5C12_mC38_12_i_agh_2i2j:As-Ni-O,19.0,A2B5C12_mC38_12_i_agh_2i2j:As-Ni-O +mp-1048812,Zn(NiO2)4,-5.7601021754,-0.8405790969,0.1982872004,0.1982872004,GGA+U,Cm,A4B8C_mC26_8_4a_8a_a:Ni-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Ni-O-Zn +mp-1041362,Zn(NiO2)4,-5.8751025146,-0.9555794362,0.0832868612,0.0832868612,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Ni-O-Zn,26.0,A4B8C_hR39_166_bd_ch_a:Ni-O-Zn +mp-540730,Cs2CoO3,-5.3386466238,-1.3821151783,0.0315839787,0.0315839787,GGA+U,Cmce,AB2C3_oC48_64_f_2f_e2f:Co-Cs-O,24.0,AB2C3_oC48_64_f_2f_e2f:Co-Cs-O +mp-773199,Cs6Co2O7,-5.0916320153,-1.4772406286,0.0,-0.1337376643,GGA+U,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Co-Cs-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_9e_2a10e:Co-Cs-O, expected Cs9CoO11 to be Cs6Co2O7" +mp-1028424,CsMg14Co,-1.6588017625,0.2416757917,0.2447833068,0.2447833068,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Cs-Mg, expected CsMg18Co to be CsMg14Co" +mp-1026858,CsMg14Co,-1.6413853513,0.2590922029,0.2621997181,0.2621997181,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Cs-Mg, expected CsMg26Co to be CsMg14Co" +mp-1032311,CsMg6CoO8,-5.7156002456,-2.1419183608,0.5092426641,0.5092426641,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Cs-Mg-O, expected CsMg6CoO12 to be CsMg6CoO8" +mp-1022135,CsMg6Co,-1.9458852638,0.2547897946,0.2610048249,0.2610048249,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Cs-Mg, expected CsMg12Co to be CsMg6Co" +mp-1099306,CsMg6Co,-1.8875273762,0.3131476821,0.3193627124,0.3193627124,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Cs-Mg,8.0,ABC6_oC16_38_a_a_2bde:Co-Cs-Mg +mp-1189563,CsCoO2,-5.9167975988,-1.4425232014,0.0,-0.0324650155,GGA+U,C2/c,ABC2_mC32_15_f_f_2ef:Co-Cs-O,16.0,ABC2_mC32_15_f_f_2ef:Co-Cs-O +mp-1283894,CsCoO2,-5.8768002494000005,-1.402525852,0.0399973494,0.0075323339,GGA+U,Pmma,ABC2_oP16_51_ef_ef_adk:Co-Cs-O,16.0,"Invalid WP multiplicities - ABC2_oP16_51_ef_2e2f_2a2dk:Co-Cs-O, expected Cs2CoO3 to be CsCoO2" +mp-1189724,CsCoO2,-5.912789725,-1.4385153276,0.0040078738,-0.0284571418,GGA+U,Cmce,ABC2_oC32_64_f_f_ef:Co-Cs-O,16.0,ABC2_oC32_64_f_f_ef:Co-Cs-O +mp-1147521,CsCoO2,-5.8988044875,-1.4245300901,0.0179931113,-0.0144719043,GGA+U,Fd-3m,ABC2_cF32_227_a_b_c:Co-Cs-O,8.0,ABC2_cF32_227_a_b_c:Co-Cs-O +mp-1226065,CoNi5S8,-5.59621363,-0.6604564779000001,0.0265123068,0.0265123068,GGA,F-43m,AB5C8_cF56_216_a_ce_2e:Co-Ni-S,14.0,AB5C8_cF56_216_a_ce_2e:Co-Ni-S +mp-1226019,Co5NiS8,-6.0548821543,-0.7396446836,0.0,-0.0001595021,GGA,F-43m,A5BC8_cF56_216_ae_c_2e:Co-Ni-S,14.0,A5BC8_cF56_216_ae_c_2e:Co-Ni-S +mp-1226074,CoNi(SbS)2,-5.453115285,-0.5498891702,0.0226939469,0.0226939469,GGA,P2_1,ABC2D2_mP12_4_a_a_2a_2a:Co-Ni-S-Sb,12.0,ABC2D2_mP12_4_a_a_2a_2a:Co-Ni-S-Sb +mp-1226465,Co3Ni3S8,-5.8119533193,-0.6864560079,0.0475959686,0.0475959686,GGA,R-3m,A3B3C8_hR42_166_ac_d_ch:Co-Ni-S,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_ac_d_2c2h:Co-Ni-S, expected Co3Ni3S16 to be Co3Ni3S8" +mp-1226504,Co(NiS2)2,-5.6416865329,-0.6110593011000001,0.1038152636,0.0950868954,GGA,P2/m,AB2C4_mP7_10_b_ce_mn:Co-Ni-S,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_c_bd_m2n:Co-Ni-S, expected Co(NiS3)2 to be Co(NiS2)2" +mp-674858,Co(NiS2)2,-5.6320129357,-0.6013857039,0.1134888607,0.1047604925,GGA,Fdd2,AB2C4_oF56_43_a_b_2b:Co-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_oF56_43_a_b_4b:Co-Ni-S, expected Co(NiS4)2 to be Co(NiS2)2" +mp-674355,Co(NiS2)2,-5.7455017964,-0.7148745646,0.0,-0.0087283682,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Co-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_c2e_2hi:Co-Ni-S, expected Co(NiS2)3 to be Co(NiS2)2" +mp-672235,Co(NiS2)2,-5.6950919857,-0.6644647539,0.0504098107,0.0416814425,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Ni-S,14.0,AB2C4_cF56_227_a_d_e:Co-Ni-S +mp-4962,CoSbS,-5.712894985,-0.588305351,0.0101917762,-0.0353703035,GGA,Pmn2_1,ABC_oP6_31_a_a_a:Co-S-Sb,6.0,ABC_oP6_31_a_a_a:Co-S-Sb +mp-5881,CoSbS,-5.7230867612,-0.5984971273,0.0,-0.0455620798,GGA,Pbca,ABC_oP24_61_c_c_c:Co-S-Sb,24.0,ABC_oP24_61_c_c_c:Co-S-Sb +mp-1191202,CoSbS,-5.6788083875,-0.5542187535,0.0442783737,-0.001283706,GGA,Pbca,ABC_oP24_61_c_c_c:Co-S-Sb,24.0,ABC_oP24_61_c_c_c:Co-S-Sb +mp-1102443,CoSbS,-5.71256465,-0.587975016,0.0105221112,-0.0350399685,GGA,P2_13,ABC_cP12_198_a_a_a:Co-S-Sb,12.0,ABC_cP12_198_a_a_a:Co-S-Sb +mp-1226487,Co3(Ni3S4)2,-5.8855812594,-0.6445593535,0.0119356846,0.0119356846,GGA,Imm2,A3B6C8_oI34_44_ac_c2d_2a2be:Co-Ni-S,17.0,"Invalid WP multiplicities - A3B6C8_oI34_44_ac_c2d_2a2b2e:Co-Ni-S, expected Co(NiS2)2 to be Co3(Ni3S4)2" +mp-1226064,CoNiS4,-5.5282676233,-0.6225586329,0.0198205075,0.0198205075,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Ni-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Ni-S, expected CoNiS8 to be CoNiS4" +mp-22658,Co2NiS4,-5.9735967793,-0.7532293882000001,0.0,-0.021841411,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Ni-S,14.0,A2BC4_cF56_227_c_b_e:Co-Ni-S +mp-3679,NiSbS,-5.2285317025,-0.5466691069,0.0,-0.0426486479,GGA,P2_13,ABC_cP12_198_a_a_a:Ni-S-Sb,12.0,ABC_cP12_198_a_a_a:Ni-S-Sb +mp-542269,Pr4(GeS4)3,-5.9107828637,-1.5618299696,0.0017726956,0.0017726956,GGA,R3c,A3B4C12_hR114_161_b_ab_4b:Ge-Pr-S,38.0,A3B4C12_hR114_161_b_ab_4b:Ge-Pr-S +mp-1232099,Pr2MgS4,-5.8967417282,-1.9384715814,0.2234844339,0.2234844339,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Pr-S,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Pr-S +mp-1232093,Pr2MgS4,-6.065717845,-2.1074476982,0.0545083171,0.0545083171,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Pr-S,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Pr-S +mp-1232087,Pr2MgS4,-6.0650726168,-2.10680247,0.0551535454,0.0551535454,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Pr-S,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Pr-S +mp-1232091,Pr2MgS4,-6.0011320775,-2.0428619307,0.1190940846,0.1190940846,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Pr-S,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Pr-S +mp-1232137,Pr2MgS4,-5.9252287846,-1.9669586379,0.1949973775,0.1949973775,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Pr-S,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Pr-S +mp-1232088,Pr2MgS4,-6.0333699386,-2.0750997918,0.0868562236,0.0868562236,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Mg-Pr-S +mp-1232114,Pr2MgS4,-6.0292861943,-2.0710160475,0.0909399679,0.0909399679,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Pr-S,14.0,AB2C4_cF56_227_a_d_e:Mg-Pr-S +mp-1219872,Pr6Mg(GeS7)2,-6.1284294283,-1.8918177576,0.0,-0.0254330138,GGA,P3,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mg-Pr-S,23.0,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mg-Pr-S +mp-21350,Pr2MgGe2,-4.834867561,-0.753238107,0.0,-0.0694101039,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Pr,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Pr +mp-1232298,PrMgS3,-5.2816790065,-1.5235719254,0.3910160975,0.3910160975,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pr-S,20.0,ABC3_mC20_12_g_i_ij:Mg-Pr-S +mp-1237949,PrMgS3,-5.229823239,-1.4717161579,0.442871865,0.442871865,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pr-S,10.0,ABC3_mC20_12_g_i_ij:Mg-Pr-S +mp-1232362,PrMgS3,-5.3414939583,-1.5833868772000002,0.3312011457,0.3312011457,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-Pr-S,30.0,ABC3_hR30_148_c_c_f:Mg-Pr-S +mp-1189700,Pr4Mg7Ge6,-3.9700160612,-0.5545013259,0.0,-0.0155335434,GGA,C2/m,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Pr,17.0,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Pr +mp-1220147,Pr12Ge5S28,-6.1658672129,-1.8034982216,0.0,-0.0046437509,GGA,P1,A5B12C28_aP45_1_5a_12a_28a:Ge-Pr-S,45.0,A5B12C28_aP45_1_5a_12a_28a:Ge-Pr-S +mp-1219880,Pr6Ge3S14,-6.1435553235,-1.7755198352,0.0,-0.0112280966,GGA,P3,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Pr-S,23.0,A3B6C14_hP23_143_abc_2d_ab4d:Ge-Pr-S +mp-1193603,Pr4Mg5Ge6,-4.260856858,-0.6033108313000001,0.0,-0.0085803096,GGA,Cmc2_1,A6B5C4_oC60_36_6a_5a_4a:Ge-Mg-Pr,30.0,A6B5C4_oC60_36_6a_5a_4a:Ge-Mg-Pr +mp-705013,CrBi8O15,-6.4734595974,-1.6994057983,0.0029643926,0.0029643926,GGA+U,P2_1/m,A8BC15_mP96_11_4e6f_2e_10e10f:Bi-Cr-O,96.0,"Invalid WP multiplicities - A8BC15_mP96_11_8e23f_4e_18e39f:Bi-Cr-O, expected Cr2(Bi9O16)3 to be CrBi8O15" +mp-540779,Rb2Cr2O7,-7.0134322445,-1.932160966,0.0026299907,-0.0319360854,GGA+U,P-1,A2B7C2_aP44_2_4i_14i_4i:Cr-O-Rb,44.0,A2B7C2_aP44_2_4i_14i_4i:Cr-O-Rb +mp-557144,Rb2Cr2O7,-7.0092184405,-1.9279471619,0.0068437948,-0.0277222813,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Cr-O-Rb,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_2i:Cr-O-Rb, expected Rb2Cr3O13 to be Rb2Cr2O7" +mp-561093,Rb2Cr2O7,-7.0160622352,-1.9347909567,0.0,-0.0345660761,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Cr-O-Rb,44.0,"Invalid WP multiplicities - A2B7C2_mP44_14_6e_26e_6e:Cr-O-Rb, expected Rb3Cr3O13 to be Rb2Cr2O7" +mp-17385,Rb2Cr2O7,-7.0150533259,-1.9337820474,0.0010089093,-0.0335571667,GGA+U,C2/c,A2B7C2_mC44_15_f_e3f_f:Cr-O-Rb,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_e4f_f:Cr-O-Rb, expected Rb2Cr2O9 to be Rb2Cr2O7" +mp-1181841,CrBiO3,-5.7346057550000005,-0.0678852083,1.946944696,1.946944696,GGA+U,Cc,ABC3_mC20_9_a_a_3a:Bi-Cr-O,10.0,"Invalid WP multiplicities - ABC3_mC20_9_a_a_4a:Bi-Cr-O, expected CrBiO4 to be CrBiO3" +mp-23456,CrBiO3,-7.658867663,-1.9921471163,0.022682788,0.022682788,GGA+U,C2/c,ABC3_mC40_15_f_ce_3f:Bi-Cr-O,20.0,ABC3_mC40_15_f_ae_3f:Bi-Cr-O +mp-559851,CrBiO3,-7.670347761,-2.0036272143,0.01120269,0.01120269,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Bi-Cr-O,20.0,ABC3_oP20_62_c_a_cd:Bi-Cr-O +mp-546027,CrBiO3,-7.66684541,-2.0001248633,0.014705041,0.014705041,GGA+U,R3c,ABC3_hR30_161_a_a_b:Bi-Cr-O,10.0,ABC3_hR30_161_a_a_b:Bi-Cr-O +mp-19029,RbCr4O8,-8.2312837723,-2.1415734921,0.0427714195,0.0427714195,GGA+U,I4/m,A4B8C_tI26_87_h_2h_a:Cr-O-Rb,13.0,A4B8C_tI26_87_h_2h_a:Cr-O-Rb +mp-1076360,RbCrO3,-6.653205036,-1.5584755008,0.5075724299000001,0.5075724299000001,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Rb,5.0,AB3C_cP5_221_b_c_a:Cr-O-Rb +mp-30547,RbCr3O8,-7.7422823933,-1.949516879,0.0,-0.0294097679,GGA+U,C2/m,A3B8C_mC24_12_ai_2ij_c:Cr-O-Rb,24.0,A3B8C_mC24_12_ai_2ij_d:Cr-O-Rb +mp-1196207,Cr2Bi3O11,-6.920469285,-1.5928981504,0.0433687269,0.0433687269,GGA+U,P2_1/c,A3B2C11_mP64_14_3e_2e_11e:Bi-Cr-O,64.0,A3B2C11_mP64_14_3e_2e_11e:Bi-Cr-O +mp-647352,Rb2Cr3O10,-7.1813274332,-1.8221875887,0.0217541891,0.0217541891,GGA+U,Pbca,A3B10C2_oP120_61_3c_10c_2c:Cr-O-Rb,120.0,"Invalid WP multiplicities - A3B10C2_oP120_61_20c_71c_9c:Cr-O-Rb, expected Rb9Cr20O71 to be Rb2Cr3O10" +mp-1209300,Rb3CrO8,-5.4720639817,-1.1247173669,0.3211423256,0.3211423256,GGA+U,I-42m,AB8C3_tI24_121_a_2i_bd:Cr-O-Rb,12.0,AB8C3_tI24_121_a_2i_bd:Cr-O-Rb +mp-642938,RbCr4BiO14,-7.3514097808,-1.7170670288,0.0018315746,0.0018315746,GGA+U,P2_1/c,AB4C14D_mP80_14_e_4e_14e_e:Bi-Cr-O-Rb,80.0,"Invalid WP multiplicities - AB4C14D_mP80_14_e_12e_52e_e:Bi-Cr-O-Rb, expected RbCr12BiO52 to be RbCr4BiO14" +mp-557654,RbCr2BiO8,-7.1344566994,-1.8260710467,0.0,-0.0299647624,GGA+U,Pnna,AB2C8D_oP48_52_c_e_4e_d:Bi-Cr-O-Rb,48.0,"Invalid WP multiplicities - AB2C8D_oP48_52_c_e_26e_d:Bi-Cr-O-Rb, expected RbCr2BiO52 to be RbCr2BiO8" +mp-616565,Rb2Cr4O13,-7.2791423136,-1.759131194,0.0322136907,0.0322136907,GGA+U,P2_1/c,A4B13C2_mP76_14_4e_13e_2e:Cr-O-Rb,76.0,"Invalid WP multiplicities - A4B13C2_mP76_14_10e_46e_6e:Cr-O-Rb, expected Rb3Cr5O23 to be Rb2Cr4O13" +mp-1044207,CrBiO5,-6.8665160214,-1.4055188563,0.1379492289,0.1379492289,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Bi-Cr-O,28.0,"Invalid WP multiplicities - ABC5_mP28_14_e_e_15e:Bi-Cr-O, expected CrBiO15 to be CrBiO5" +mp-727934,CrBiO5,-6.9018286411,-1.4408314759,0.1026366093,0.1026366093,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Bi-Cr-O,28.0,ABC5_mP28_14_e_e_5e:Bi-Cr-O +mp-1042644,CrBiO5,-6.8569932898,-1.3959961246,0.1474719606,0.1474719606,GGA+U,Pbca,ABC5_oP56_61_c_c_5c:Bi-Cr-O,56.0,"Invalid WP multiplicities - ABC5_oP56_61_c_c_31c:Bi-Cr-O, expected CrBiO31 to be CrBiO5" +mp-728712,CrBiO5,-6.9066096177,-1.4456124525,0.0978556327,0.0978556327,GGA+U,Pbca,ABC5_oP56_61_c_c_5c:Bi-Cr-O,56.0,ABC5_oP56_61_c_c_5c:Bi-Cr-O +mp-1076401,Rb2Cr2O5,-6.950559555,-1.8393810393,0.2607726513,0.2607726513,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Cr-O-Rb,18.0,A2B5C2_oI36_46_ab_b2c_c:Cr-O-Rb +mp-1274148,CrBiO4,-7.3139708113,-1.7672555704,0.0298358381,0.0298358381,GGA+U,P2/c,ABC4_mP24_13_ef_ef_4g:Bi-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mP24_13_2e2f_ef_16g:Bi-Cr-O, expected Cr(BiO8)2 to be CrBiO4" +mp-755937,CrBiO4,-7.2870289275,-1.7403136867,0.0567777219,0.0567777219,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Bi-Cr-O,24.0,ABC4_mP24_14_e_e_4e:Bi-Cr-O +mp-1283463,CrBiO4,-7.2944387021,-1.7477234612,0.0493679473,0.0493679473,GGA+U,Fddd,ABC4_oF48_70_a_b_h:Bi-Cr-O,24.0,ABC4_oF48_70_a_b_h:Bi-Cr-O +mp-775434,CrBiO4,-7.2913755208,-1.7446602800000002,0.0524311285,0.0524311285,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Bi-Cr-O,12.0,ABC4_tI24_141_a_b_h:Bi-Cr-O +mp-771648,RbCrO2,-7.1324162725,-2.0006765313,0.0,-0.086752774,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Cr-O-Rb,8.0,AB2C_hR12_166_a_c_b:Cr-O-Rb +mp-685468,Cr2Bi28O47,-6.3331095019,-1.6664320992,0.0304940355,0.0304940355,GGA+U,P1,A28B2C47_aP77_1_28a_2a_47a:Bi-Cr-O,77.0,A28B2C47_aP77_1_28a_2a_47a:Bi-Cr-O +mp-744682,Cr8Bi4O29,-7.3937364238,-1.6366557188000002,0.0254746568,0.0254746568,GGA+U,P-1,A4B8C29_aP82_2_4i_8i_29i:Bi-Cr-O,82.0,A4B8C29_aP82_2_4i_8i_29i:Bi-Cr-O +mp-17071,Rb2CrO4,-6.5474087564,-2.0615701193,0.0,-0.2984645523,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_2c:Cr-O-Rb,28.0,AB4C2_oP28_62_c_2cd_2c:Cr-O-Rb +mp-30205,Cr2(Bi2O5)3,-6.801946998,-1.7345835029,0.0,-0.0530455193,GGA+U,Ccc2,A6B2C15_oC92_37_3d_d_a7d:Bi-Cr-O,46.0,A6B2C15_oC92_37_3d_d_a7d:Bi-Cr-O +mp-698567,Cr(Bi7O12)2,-6.3612389256,-1.6909716344,0.0,-0.0058339649,GGA+U,P1,A14BC24_aP39_1_14a_a_24a:Bi-Cr-O,39.0,A14BC24_aP39_1_14a_a_24a:Bi-Cr-O +mp-759588,Cr(Bi7O12)2,-6.2716930862,-1.6014257949,0.0895458395,0.0837118746,GGA+U,C2,A14BC24_mC78_5_2a6c_a_2a4b9c:Bi-Cr-O,39.0,"Invalid WP multiplicities - A14BC24_mC78_5_2a12c_a_2a4b18c:Bi-Cr-O, expected Cr(Bi13O21)2 to be Cr(Bi7O12)2" +mp-1178393,CsLiO,-4.1506943983,-1.5670230817,0.0585149783,0.0585149783,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-Li-O,12.0,ABC_oP12_62_c_c_c:Cs-Li-O +mp-1178395,CsLiO,-4.1192453617,-1.5355740450000002,0.089964015,0.089964015,GGA,I4/mmm,ABC_tI24_139_i_h_j:Cs-Li-O,12.0,ABC_tI24_139_i_h_j:Cs-Li-O +mp-573422,CsCr3O8,-7.7300219246,-1.9443507186,0.0,-0.038966035,GGA+U,Pnma,A3BC8_oP48_62_3c_c_4c2d:Cr-Cs-O,48.0,"Invalid WP multiplicities - A3BC8_oP48_62_8c_c_13c13d:Cr-Cs-O, expected CsCr8O39 to be CsCr3O8" +mp-1193081,Cs6Cr2O7,-5.8170954773,-1.8634068006,0.0,-0.1348903597,GGA+U,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Cr-Cs-O,30.0,A2B6C7_mP30_14_e_3e_a3e:Cr-Cs-O +mp-31378,Cs2Cr4O13,-7.284069309599999,-1.7730194217,0.0059018521,0.0059018521,GGA+U,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:Cr-Cs-O,76.0,"Invalid WP multiplicities - A4B2C13_mP76_14_4e_2e_16e:Cr-Cs-O, expected CsCr2O8 to be Cs2Cr4O13" +mp-561778,CsLiCrO4,-6.703754095,-2.0974501588,0.0,-0.0170828004,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Cr-Cs-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_15e:Cr-Cs-Li-O, expected CsLiCrO15 to be CsLiCrO4" +mp-647813,Cs2CrO4,-6.5332488139,-2.0717335198,0.0,-0.3600725967,GGA+U,Pnma,AB2C4_oP28_62_c_2c_2cd:Cr-Cs-O,28.0,AB2C4_oP28_62_c_2c_2cd:Cr-Cs-O +mp-1104152,Tb2FeC4,-8.0869644571,-0.2793336886,0.0,-0.0338849274,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Tb,14.0,A4BC2_oI28_72_2j_a_j:C-Fe-Tb +mp-1217662,Tb4Fe34C3,-8.1954477937,-0.044126281,0.0170245662,0.0170245662,GGA,P-1,A3B34C4_aP41_2_ci_ab16i_2i:C-Fe-Tb,41.0,"Invalid WP multiplicities - A3B34C4_aP41_2_ci_ab30i_4i:C-Fe-Tb, expected Tb8Fe62C3 to be Tb4Fe34C3" +mp-1197275,Tb2Fe14C,-8.1277772428,-0.0643834409,0.0,-0.0143444851,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Tb,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Tb +mp-1217503,TbTiFe11C,-8.2995166364,-0.0903197136,0.0408025024,0.0408025024,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Tb-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Tb-Ti +mp-1217730,Tb2Fe17C,-8.1557969325,-0.0314090194,0.0233169054,0.0233169054,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Tb,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i3j_i:C-Fe-Tb, expected Tb2Fe25C to be Tb2Fe17C" +mp-1191539,Tb2Fe17C3,-8.3012147682,-0.0764379842,0.0022353788,0.0022353788,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Tb,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Tb +mp-1217725,Tb2Fe17C2,-8.2341261005,-0.0571535407,0.0101162802,0.0101162802,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Fe-Tb,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i3j_i:C-Fe-Tb, expected Tb2Fe25C2 to be Tb2Fe17C2" +mp-999122,TbFeC2,-8.14654979,-0.2561202163,0.0,-0.0117032387,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Fe-Tb,4.0,A2BC_oC8_38_d_a_b:C-Fe-Tb +mp-19322,BaMoO3,-8.038497708,-2.5175594713,0.0,-0.0166685933,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Mo-O,5.0,ABC3_cP5_221_a_b_c:Ba-Mo-O +mp-1048520,BaMo4O7,-8.1005688867,-1.4398691901,0.6462323065000001,0.6462323065000001,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Mo-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Mo-O +mp-1047842,Ba(MoO2)4,-8.1117472485,-1.5828945508,0.5760918365000001,0.5760918365000001,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Mo-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Mo-O +mp-1044491,BaZn(MoO2)4,-7.67641814,-1.5239303771,0.5200902284,0.5200902284,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Mo-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Mo-O-Zn +mp-1206097,Ba2ZnMoO6,-7.103415072,-2.5410674853,0.0,-0.0014031388,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Zn,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Zn +mp-1205495,Ba3MoO6,-7.302461319,-2.6741905992,0.0487612155,0.0487612155,GGA+U,Fm-3m,A3BC6_cF40_225_ac_b_e:Ba-Mo-O,10.0,A3BC6_cF40_225_ac_b_e:Ba-Mo-O +mp-17911,Ba2ZnO3,-5.8579097371,-2.5349497998,0.0,-0.0161500593,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ba-O-Zn,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2f_3e2f_f:Ba-O-Zn, expected Ba4Zn2O7 to be Ba2ZnO3" +mp-530107,Ba3(Mo9O14)2,-8.5119015857,-1.5836176936,0.3824004577,0.3824004577,GGA+U,P2_1,A3B18C28_mP98_4_3a_18a_28a:Ba-Mo-O,98.0,A3B18C28_mP98_4_6a_36a_56a:Ba-Mo-O +mp-19276,BaMoO4,-8.0806304375,-2.655400455,0.0,-0.242660161,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Ba-Mo-O,12.0,ABC4_tI24_88_a_b_f:Ba-Mo-O +mp-4236,BaZnO2,-5.6340841767,-2.3660601835,0.0,-0.0169640189,GGA,P3_121,AB2C_hP12_152_a_c_b:Ba-O-Zn,12.0,AB2C_hP12_152_a_c_b:Ba-O-Zn +mp-1182697,BaZnO5,-4.7849343117,-0.7974825822,0.6490045708000001,0.6490045708000001,GGA,Pna2_1,AB5C_oP84_33_3a_15a_3a:Ba-O-Zn,84.0,AB5C_oP84_33_3a_15a_3a:Ba-O-Zn +mp-1182550,Ba2ZnO6,-5.3091732617,-1.4449703997,0.4021322849,0.4021322849,GGA,P2_1,A2B6C_mP18_4_2a_6a_a:Ba-O-Zn,18.0,A2B6C_mP18_4_2a_6a_a:Ba-O-Zn +mp-1048510,Ba2Mo3O7,-7.9585506783,-2.0417405793,0.3349427612,0.3349427612,GGA+U,Pmmm,A2B3C7_oP12_47_l_ai_cijk:Ba-Mo-O,12.0,A2B3C7_oP12_47_l_ai_cijk:Ba-Mo-O +mp-624196,Ba(Mo3O5)2,-8.595116923399999,-1.7445426462,0.263341659,0.263341659,GGA+U,P1,AB6C10_aP68_1_4a_24a_40a:Ba-Mo-O,68.0,AB6C10_aP68_1_4a_24a_40a:Ba-Mo-O +mp-29351,Ba(Mo3O5)2,-8.5534214119,-1.7028471347,0.3050371704,0.3050371704,GGA+U,Pnma,AB6C10_oP68_62_c_2c2d_2c4d:Ba-Mo-O,68.0,"Invalid WP multiplicities - AB6C10_oP68_62_c_2c2d_2c8d:Ba-Mo-O, expected Ba(MoO3)6 to be Ba(Mo3O5)2" +mp-729474,BaMo4O15,-7.5516329366,-1.5765376342,0.3753982054,0.3753982054,GGA+U,Pbcn,AB4C15_oP160_60_d_4d_15d:Ba-Mo-O,160.0,AB4C15_oP160_60_d_4d_15d:Ba-Mo-O +mp-1182540,BaMo3O10,-8.218212195,-2.2237255962,0.0146038398,0.0146038398,GGA+U,P2_1,AB3C10_mP56_4_2a_6a_20a:Ba-Mo-O,56.0,"Invalid WP multiplicities - AB3C10_mP56_14_e_5e_19e:Ba-Mo-O, expected BaMo5O19 to be BaMo3O10" +mp-28465,BaMo3O10,-8.2204766746,-2.2259900759,0.0123393602,0.0123393602,GGA+U,P2_1/c,AB3C10_mP56_14_e_3e_10e:Ba-Mo-O,56.0,"Invalid WP multiplicities - AB3C10_mP56_14_e_5e_19e:Ba-Mo-O, expected BaMo5O19 to be BaMo3O10" +mp-1183405,BaZnO3,-5.448701428,-1.8449444912,0.174294128,0.174294128,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Zn,5.0,AB3C_cP5_221_a_c_b:Ba-O-Zn +mp-1214454,BaMoO2,-7.5126960312,-1.8481954131,0.43134897,0.43134897,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Ba-Mo-O,16.0,ABC2_tI32_141_c_d_h:Ba-Mo-O +mp-1205921,CeSiOs2C,-9.108040307,-0.4996787995,0.0,-0.0663921865,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ce-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ce-Os-Si +mp-543028,Tl2TeO3,-5.0622275798,-1.2774511931,0.0,-0.0447513223,GGA,Pban,A3BC2_oP48_50_3m_m_2m:O-Te-Tl,48.0,A3BC2_oP48_50_3m_m_2m:O-Te-Tl +mp-17986,TiTl2O3,-6.8345905921,-2.2577831848,0.0,-0.0709998625,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:O-Ti-Tl,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_4c_c_2c:O-Ti-Tl, expected TiTl2O4 to be TiTl2O3" +mp-14410,Tl6TeO12,-5.2416422858,-1.2058828485,0.0,-0.0122857225,GGA,R-3,A12BC6_hR57_148_2f_a_f:O-Te-Tl,19.0,A12BC6_hR57_148_2f_a_f:O-Te-Tl +mp-1216797,TiTl2(TeO4)3,-6.2859759272,-1.7631447869,0.0,-0.0344602922,GGA,C2,A12B3CD2_mC36_5_6c_ac_b_c:O-Te-Ti-Tl,18.0,"Invalid WP multiplicities - A12B3CD2_mC36_5_12c_ac_b_c:O-Te-Ti-Tl, expected TiTl2(TeO8)3 to be TiTl2(TeO4)3" +mp-8387,Tl6TeO6,-4.7216478885,-1.1063173469,0.0,-0.0115684928,GGA,R-3,A6BC6_hR39_148_f_a_f:O-Te-Tl,13.0,A6BC6_hR39_148_f_a_f:O-Te-Tl +mp-558279,Tl2Te3O7,-5.4632467992,-1.3980780532,0.0017842911,0.0017842911,GGA,P-1,A7B3C2_aP24_2_7i_3i_2i:O-Te-Tl,24.0,"Invalid WP multiplicities - A7B3C2_aP24_2_13i_6i_4i:O-Te-Tl, expected Tl4Te6O13 to be Tl2Te3O7" +mp-29690,Tl2Te2O5,-5.3396708036,-1.3679661774,0.0,-0.0100970776,GGA,P2_1/c,A5B2C2_mP36_14_5e_2e_2e:O-Te-Tl,36.0,A5B2C2_mP36_14_5e_2e_2e:O-Te-Tl +mp-540598,Ti4Tl2O9,-8.3951086703,-3.0066118196,0.0,-0.0020067955,GGA,C2/m,A9B4C2_mC60_12_9i_4i_2i:O-Ti-Tl,30.0,A9B4C2_mC60_12_9i_4i_2i:O-Ti-Tl +mp-5214,TiTe3O8,-6.7394281125,-1.9978514969,0.0,-0.0005668005,GGA,Ia-3,A8B3C_cI96_206_ce_d_a:O-Te-Ti,48.0,A8B3C_cI96_206_ce_d_a:O-Te-Ti +mp-774922,Ti3TeO8,-8.46111961,-2.9275119739,0.0734293586,0.0734293586,GGA,P1,A8BC3_aP12_1_8a_a_3a:O-Te-Ti,12.0,A8BC3_aP12_1_8a_a_3a:O-Te-Ti +mp-18191,Tl2TeO6,-5.4644163481,-1.2923358532,0.0,-0.0459337407,GGA,P321,A6BC2_hP27_150_3g_ad_ef:O-Te-Tl,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_4g_ad_ef:O-Te-Tl, expected Tl2TeO8 to be Tl2TeO6" +mp-1187488,TiTeO3,-7.13092831,-1.9551555013,0.5952282227,0.5952282227,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Te-Ti,5.0,A3BC_cP5_221_c_a_b:O-Te-Ti +mp-1046138,Ti5(TeO6)3,-7.800559826,-2.4948761888,0.1143266342,0.1143266342,GGA,C2,A18B3C5_mC104_5_18c_3c_ab4c:O-Te-Ti,52.0,"Invalid WP multiplicities - A18B3C5_mC104_5_36c_4c_ab8c:O-Te-Ti, expected Ti9(TeO9)4 to be Ti5(TeO6)3" +mp-756630,DyAlO3,-8.38752288,-3.7490371193,0.012823483,0.012823483,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Dy-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-Dy-O, expected DyAlO7 to be DyAlO3" +mp-754936,DyAlO3,-8.359551958,-3.7210661973,0.040794405,0.040794405,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-Dy-O,10.0,ABC3_hR30_167_b_a_e:Al-Dy-O +mp-984723,DyAlO3,-8.25859651,-3.6201107493,0.141749853,0.141749853,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Dy-O,5.0,ABC3_cP5_221_b_a_c:Al-Dy-O +mp-1214541,Ba6Dy2Al4O15,-7.486149538,-3.4154066747,0.0,-0.0140768364,GGA,P2/c,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Dy-O,54.0,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Dy-O +mp-1228068,Ba6Dy2Al4O15,-7.4526301685,-3.3818873052,0.0335193694,0.0194425331,GGA,Amm2,A4B6C2D15_oC54_38_2c_ab2c_c_2ab2c2f:Al-Ba-Dy-O,27.0,"Invalid WP multiplicities - A4B6C2D15_oC54_38_4c_ab4c_c_2ab4c7f:Al-Ba-Dy-O, expected Ba10Dy2Al8O39 to be Ba6Dy2Al4O15" +mp-1212993,Dy4Al2O9,-8.5270352098,-3.8311353818,0.0135865635,0.0135865635,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Dy-O,60.0,A2B4C9_mP60_14_2e_4e_9e:Al-Dy-O +mp-772195,Dy3Al5O12,-8.2951398052,-3.699714595,0.0,-0.0311081595,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Dy-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_6a7d_c_h:Al-Dy-O, expected DyAl11O4 to be Dy3Al5O12" +mp-1110972,Cs2LiPrF6,-5.508700776,-3.5137500589,0.023270646,0.023270646,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Pr +mp-1207345,Cs2PrF6,-5.3164931589,-3.3119837918,0.0,-0.0877538131,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Cs-F-Pr,9.0,A2B6C_hP9_189_c_fg_b:Cs-F-Pr +mp-1206084,Cs3PrF6,-5.360257331,-3.4666586634,0.0036651245,0.0036651245,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Pr,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Pr +mp-1213749,Cs2Pr10Co2I17,-4.3390692194,-1.4724974183,0.0,-0.0214493372,GGA,C2/m,A2B2C17D10_mC62_12_i_g_a2i3j_3ij:Co-Cs-I-Pr,31.0,A2B2C17D10_mC62_12_i_g_a2i3j_3ij:Co-Cs-I-Pr +mp-567727,Pr2Co2I,-5.698444956,-0.6480822660000001,0.0,-0.1099859866,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Co-I-Pr,10.0,A2BC2_hP10_194_f_c_e:Co-I-Pr +mp-1207267,Pr4CoI5,-4.642235097,-1.2823578405,0.0,-0.0076248286,GGA,C2/m,AB5C4_mC20_12_a_c2i_2i:Co-I-Pr,10.0,AB5C4_mC20_12_a_d2i_2i:Co-I-Pr +mp-1192894,Cs2CoI4,-3.2027600279,-1.0895331794,0.0892145213,0.0892145213,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Co-Cs-I,28.0,AB2C4_oP28_62_c_2c_2cd:Co-Cs-I +mp-569261,Pr7CoI12,-4.415562233,-1.502809519,0.0,-0.0189919374,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Co-I-Pr,20.0,"Invalid WP multiplicities - AB12C7_hR60_148_a_5f_b2f:Co-I-Pr, expected Pr13CoI30 to be Pr7CoI12" +mp-569323,Cs3CoI5,-3.2272480661,-1.3204306593,0.0,-0.0246952114,GGA,Pnma,AB3C5_oP36_62_c_cd_3cd:Co-Cs-I,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_4c4d_9c4d:Co-Cs-I, expected Cs12CoI17 to be Cs3CoI5" +mp-35759,Li2NiF4,-5.2742677579,-2.8108537174,0.0,-0.0077353907,GGA+U,Imma,A4B2C_oI28_74_hi_ae_c:F-Li-Ni,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_c2e_a:F-Li-Ni, expected Li3NiF10 to be Li2NiF4" +mp-7661,Li2RhF6,-4.9940910811,-2.477310258,0.0,-0.0673771247,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Rh,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:F-Li-Rh, expected Li2RhF10 to be Li2RhF6" +mp-1212121,Li3RhF6,-4.927779113,-2.4717840855,0.1627095465,0.1627095465,GGA,P-1,A6B3C_aP10_2_3i_bde_a:F-Li-Rh,10.0,A6B3C_aP10_2_3i_bde_a:F-Li-Rh +mp-1237062,Li3RhF6,-4.993320407,-2.5373253795,0.0971682525,0.0971682525,GGA,P-1,A6B3C_aP10_2_3i_bde_c:F-Li-Rh,10.0,A6B3C_aP10_2_3i_bde_c:F-Li-Rh +mp-1111070,Li3RhF6,-4.905273672,-2.4492786445,0.1852149875,0.1852149875,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Rh,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Rh +mp-11171,LiRhF6,-4.7219955775,-2.1292325098,0.0,-0.0319381225,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Rh,8.0,A6BC_hR24_148_f_a_b:F-Li-Rh +mp-20580,NiRhF6,-5.0721143188,-1.9954495244,0.0,-0.0359788092,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Ni-Rh,8.0,A6BC_hR24_148_f_a_b:F-Ni-Rh +mp-758501,LiNiF3,-5.332537152,-2.6478378622000003,0.0155647295,0.0155647295,GGA+U,R-3,A3BC_hR30_148_f_c_ab:F-Li-Ni,10.0,A3BC_hR30_148_f_c_ab:F-Li-Ni +mp-1222366,LiNiRhF6,-5.2629768117,-2.3160611204,0.0,-0.0198075992,GGA+U,P4_2nm,A6BCD_tP18_102_3c_a_a_a:F-Li-Ni-Rh,18.0,A6BCD_tP18_102_3c_a_a_a:F-Li-Ni-Rh +mp-1211465,Li3NiF6,-4.9797819075,-2.682203999,0.0,-0.0497523425,GGA+U,Pna2_1,A6B3C_oP40_33_6a_3a_a:F-Li-Ni,40.0,A6B3C_oP40_33_6a_3a_a:F-Li-Ni +mp-1111686,Li3NiF6,-4.76528051,-2.4677026015,0.2145013975,0.164749055,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Ni,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Ni +mp-27787,NbPCl10,-4.2888843879,-1.455553209,0.0,-0.0412477738,GGA,P-1,A10BC_aP24_2_10i_ab_i:Cl-Nb-P,24.0,A10BC_aP24_2_10i_ab_i:Cl-Nb-P +mp-570225,NbAsPCl13,-4.1547193331,-1.3919254249000002,0.0,-0.0058754814,GGA,Cmc2_1,AB13CD_oC64_36_a_5a4b_a_a:As-Cl-Nb-P,32.0,"Invalid WP multiplicities - AB13CD_oC64_36_a_10a14b_a_a:As-Cl-Nb-P, expected NbAsPCl38 to be NbAsPCl13" +mp-17450,Cs3NiF7,-4.4564490318,-2.4703857074,0.0073023873,0.0073023873,GGA+U,P4/mbm,A3B7C_tP22_127_bg_ahk_c:Cs-F-Ni,22.0,A3B7C_tP22_127_bg_ahk_c:Cs-F-Ni +mp-563023,Cs7Ni4F15,-4.9130233242,-2.6799253305,0.0,-0.0061525528,GGA+U,P2_1/c,A7B15C4_mP52_14_a3e_c7e_2e:Cs-F-Ni,52.0,"Invalid WP multiplicities - A7B15C4_mP52_14_2a10e_c27e_5e:Cs-F-Ni, expected Cs22Ni10F55 to be Cs7Ni4F15" +mp-1323553,CaNiF6,-4.9869633563,-2.5801370606000003,0.0,-0.0460837391,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-Ni,8.0,AB6C_hR24_148_a_f_b:Ca-F-Ni +mp-505492,CsNiF3,-5.0834415073,-2.6014463164,0.0074191917,-0.0019383678,GGA+U,R-3m,AB3C_hR45_166_bc_dh_ac:Cs-F-Ni,15.0,AB3C_hR45_166_bc_dh_ac:Cs-F-Ni +mp-611601,CsNiF3,-4.996096079,-2.5141008881,0.09476462,0.0854070605,GGA+U,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-F-Ni,10.0,AB3C_hP10_194_c_h_a:Cs-F-Ni +mp-557772,CsNiF3,-5.090860699,-2.6088655081,0.0,-0.0093575595,GGA+U,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-F-Ni,10.0,AB3C_hP10_194_c_h_a:Cs-F-Ni +mp-1194078,CsNiF3,-5.0622503627,-2.5802551718,0.0286103363,0.0192527768,GGA+U,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Cs-F-Ni,30.0,AB3C_hP30_194_bf_hk_af:Cs-F-Ni +mp-17733,Cs4Ni3F10,-5.0040540165,-2.6489475927,0.0,-0.0038555085,GGA+U,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Cs-F-Ni,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_2f_e3fg_af:Cs-F-Ni, expected Cs4Ni3F12 to be Cs4Ni3F10" +mp-7104,CsCaF3,-5.4499464,-3.7228585691,0.0,-0.02133316,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ca-Cs-F,5.0,ABC3_cP5_221_b_a_c:Ca-Cs-F +mp-689925,Cs2NiF6,-4.5121351333,-2.3966001079,0.0,-0.1122543842,GGA+U,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Ni,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Ni +mp-15157,Cs2CaF4,-5.1121044714,-3.477487258,0.0,-0.0061356986,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Ca-Cs-F,7.0,AB2C4_tI14_139_a_e_ce:Ca-Cs-F +mp-1376405,CaNiF5,-5.3736511386,-2.8960609389,0.0,-0.0194902486,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Ni,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Ni +mp-1389691,CaNiF5,-5.3613380064000005,-2.8837478068,0.0123131321,-0.0071771164,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Ni,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Ca-F-Ni, expected CaNiF7 to be CaNiF5" +mp-1181552,CsNi2F6,-5.0069385783,-2.3486552964,0.00931974,0.00931974,GGA+U,Imma,AB6C2_oI36_74_e_2ej_ac:Cs-F-Ni,18.0,"Invalid WP multiplicities - AB6C2_oI36_74_e_4e3j_ac:Cs-F-Ni, expected CsNi2F16 to be CsNi2F6" +mp-647818,CsNi2F6,-5.00878274,-2.3504994581,0.0074755783,0.0074755783,GGA+U,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-F-Ni,18.0,AB6C2_cF72_227_a_f_d:Cs-F-Ni +mp-1395926,CaNiF4,-5.6543517133,-3.0824096417,0.1894058883,0.1894058883,GGA+U,Cm,AB4C_mC24_8_b_4a2b_2a:Ca-F-Ni,12.0,"Invalid WP multiplicities - AB4C_mC24_8_b_4a3b_2a:Ca-F-Ni, expected CaNiF5 to be CaNiF4" +mp-1868908,CaNiF4,-5.7693452792,-3.1974032075,0.0744123225,0.0744123225,GGA+U,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-Ni,12.0,AB4C_tI24_140_a_l_d:Ca-F-Ni +mp-556893,Cs5CaNi4F15,-5.1701376386,-2.8391239197,0.0,-0.0074597994,GGA+U,P6_3/mmc,AB5C15D4_hP50_194_a_cef_h2k_2f:Ca-Cs-F-Ni,50.0,"Invalid WP multiplicities - AB5C15D4_hP50_194_a_2c3e3f_5h16k_6f:Ca-Cs-F-Ni, expected Cs14CaNi12F111 to be Cs5CaNi4F15" +mp-1178804,VCu3HgSe4,-4.4432568567,-0.4800510394,0.162955315,0.162955315,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Hg-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Hg-Se-V +mp-21855,VCu3Se4,-5.1440286475,-0.7233821487000001,0.0,-0.1447857706,GGA,P-43m,A3B4C_cP8_215_c_e_b:Cu-Se-V,8.0,A3B4C_cP8_215_c_e_b:Cu-Se-V +mp-1187732,VHg3,-2.1404544375,0.3582823537,0.3582823537,0.3582823537,GGA,P6_3/mmc,A3B_hP8_194_h_c:Hg-V,8.0,A3B_hP8_194_h_c:Hg-V +mp-510662,CsUAgSe3,-5.5312670383,-1.2800832353,0.0,-0.1567675592,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Cs-Se-U,12.0,ABC3D_oC24_63_c_c_cf_a:Ag-Cs-Se-U +mp-1112383,K2InCuCl6,-3.670982654,-1.6546918286,0.022253927,0.022253927,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-In-K +mp-1219598,RbCrCoF6,-6.10197449,-2.8563330297,0.0,-0.0171937946,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_e:Co-Cr-F-Rb,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_e:Co-Cr-F-Rb, expected RbCrCoF12 to be RbCrCoF6" +mp-560878,Rb2CoF6,-4.76808583,-2.4860569694,0.0,-0.1160054874,GGA+U,Fm-3m,AB6C2_cF36_225_a_e_c:Co-F-Rb,9.0,AB6C2_cF36_225_a_e_c:Co-F-Rb +mp-559959,Rb2CoF4,-4.9931633957,-2.6052631371,0.092995135,0.092995135,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Co-F-Rb,7.0,AB4C2_tI14_139_a_ce_e:Co-F-Rb +mp-1113630,Rb3CoF6,-4.828162193,-2.6762828113,0.0,-0.0382590847,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Co-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Co-F-Rb +mp-541814,RbCoF3,-5.392403945,-2.627746191,0.0,-0.066950609,GGA+U,P6_3/mmc,AB3C_hP30_194_af_hk_bf:Co-F-Rb,30.0,"Invalid WP multiplicities - AB3C_hP30_194_a2f_4h4k_2bf:Co-F-Rb, expected Rb4Co5F36 to be RbCoF3" +mp-1112167,Cs2RbFeF6,-5.200803746,-2.9297803628,0.0,-0.0272359747,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Rb +mp-1111396,CsRb2FeF6,-5.114648635,-2.8351120818,0.081897776,0.081897776,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Fe-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Fe-Rb +mp-22487,EuScO3,-9.81883769,-3.5329302822,0.0444029628,0.0444029628,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Eu-O-Sc +mp-1200958,BaEu2Sc2O7,-9.2787565183,-3.4683617076,0.0115120059,0.0115120059,GGA,P4_2/mnm,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Eu-O-Sc,48.0,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Eu-O-Sc +mp-1096978,Eu2Sc2O5,-10.0007077044,-3.5659982193,0.0346612343,0.0346612343,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:Eu-O-Sc,18.0,A2B5C2_oI36_46_c_b2c_ab:Eu-O-Sc +mp-554858,Cs2NaMnF6,-5.3030114355,-2.928589522,0.0440612395,0.0440612395,GGA+U,R-3m,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Mn-Na,20.0,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Mn-Na +mp-554302,Cs2NaMnF6,-5.300761269,-2.9263393555,0.046311406,0.046311406,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mn-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mn-Na +mp-1113029,Cs2KTlCl6,-3.497664386,-1.8621577062,0.0064588685,0.0064588685,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tl +mp-504778,NaMoF6,-5.7001068338,-2.7454756827,0.0,-0.0325698225,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Mo-Na,8.0,A6BC_cF32_225_e_a_b:F-Mo-Na +mp-1111302,Na2MoAuF6,-5.011822671,-2.1884770208,0.3445495808,0.3445495808,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Mo-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Mo-Na +mp-1110567,Na3MoF6,-5.437117005,-2.8089070255,0.0607656315,0.0607656315,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Mo-Na,10.0,A6BC3_cF40_225_e_a_bc:F-Mo-Na +mp-4421,LaTaO4,-9.8119633229,-3.7152067262,0.0,-0.0504484615,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:La-O-Ta,24.0,AB4C_mP24_14_e_4e_e:La-O-Ta +mp-3998,LaTaO4,-9.8026968683,-3.7059402717,0.0092664546,-0.0411820069,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:La-O-Ta,12.0,AB4C_oC24_36_a_4a_a:La-O-Ta +mp-1202027,LaTaO4,-9.7898517023,-3.6930951056,0.0221116206,-0.0283368408,GGA,Pbca,AB4C_oP48_61_c_4c_c:La-O-Ta,48.0,"Invalid WP multiplicities - AB4C_oP24_57_d_cd2e_c:La-O-Ta, expected LaTaO6 to be LaTaO4" +mp-757779,La5Ta22O62,-10.1070352288,-3.4525875492,0.0201136984,0.0201136984,GGA,Cm,A5B62C22_mC178_8_5a_22a20b_11b:La-O-Ta,89.0,"Invalid WP multiplicities - A5B62C22_mC178_8_5a_22a32b_13b:La-O-Ta, expected La5Ta26O86 to be La5Ta22O62" +mp-1222747,LaTa2AgO7,-9.0992013055,-3.0891159103,0.0524723128,0.0524723128,GGA,I-4m2,ABC7D2_tI22_119_c_a_be2f_e:Ag-La-O-Ta,11.0,"Invalid WP multiplicities - ABC7D2_tI22_119_c_a_be3f_e:Ag-La-O-Ta, expected LaTa2AgO9 to be LaTa2AgO7" +mp-1239192,LaTaO3,-9.458368586,-3.1315984123,0.3356782172,0.3356782172,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Ta,5.0,AB3C_cP5_221_a_c_b:La-O-Ta +mp-757365,LaTa3O9,-10.06802321,-3.5272894872,0.0,-0.0048172512,GGA,C2/m,AB9C3_mC52_12_i_ad2i3j_3i:La-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mC52_12_i_ad3i11j_5i:La-O-Ta, expected LaTa5O26 to be LaTa3O9" +mp-5308,LaTa3O9,-10.0557874935,-3.5150537707,0.0122357165,0.0074184654,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:La-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_3c4d_ad:La-O-Ta, expected LaTa3O11 to be LaTa3O9" +mp-753260,LaAgO2,-6.986550485,-2.5710653523,0.0001951163,-0.0281316548,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-La-O,4.0,ABC2_hR12_166_a_b_c:Ag-La-O +mp-754535,LaAgO2,-6.9867456012,-2.5712604685,0.0,-0.0283267711,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-La-O,8.0,ABC2_hP8_194_c_a_f:Ag-La-O +mp-9890,TaAgO3,-8.316438579,-2.4103586256,0.022071616,0.022071616,GGA,R-3c,AB3C_hR30_167_a_e_b:Ag-O-Ta,10.0,AB3C_hR30_167_a_e_b:Ag-O-Ta +mp-1187189,TaAgO3,-8.303033604,-2.3969536506,0.035476591,0.035476591,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-O-Ta,5.0,AB3C_cP5_221_a_c_b:Ag-O-Ta +mp-1185109,La3Ta,-6.23813605,0.4283136863,0.4283136863,0.4283136863,GGA,I4/mmm,A3B_tI8_139_ad_b:La-Ta,4.0,A3B_tI8_139_ad_b:La-Ta +mp-14485,LaTa7O19,-10.1748693526,-3.4368124626,0.0,-0.008460843,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:La-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh2k2l_c2l:La-O-Ta, expected LaTa13O22 to be LaTa7O19" +mp-768308,LaAgO3,-6.613159625,-2.0914337766,0.0357766197,0.0357766197,GGA,R3c,ABC3_hR30_161_a_a_b:Ag-La-O,10.0,ABC3_hR30_161_a_a_b:Ag-La-O +mp-1076000,LaAgO3,-6.410640516,-1.8889146676,0.2382957287,0.2382957287,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ag-La-O,5.0,ABC3_cP5_221_b_a_c:Ag-La-O +mp-1120758,La2AgO4,-7.28250177,-2.6408839045,0.2542671552,0.2542671552,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Ag-La-O,7.0,AB2C4_tI14_139_a_e_ce:Ag-La-O +mp-31415,La3TaO7,-9.3992777223,-3.8272213656,0.0,-0.0394238456,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:La-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_ag_cg2h_b:La-O-Ta, expected La3TaO11 to be La3TaO7" +mp-1102291,La3TaO7,-9.3821575418,-3.8101011851,0.0171201805,-0.0223036651,GGA,Cmmm,A3B7C_oC22_65_af_chp_b:La-O-Ta,11.0,A3B7C_oC22_65_af_chp_b:La-O-Ta +mp-1203398,Ta4Ag2O11,-9.1224132591,-2.7983074738,0.0063788565,0.0063788565,GGA,R-3c,A2B11C4_hR102_167_c_cef_be:Ag-O-Ta,34.0,A2B11C4_hR102_167_c_cef_be:Ag-O-Ta +mp-1076119,La2Ag2O5,-6.6872669428,-2.2127591902,0.1380833068,0.1380833068,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Ag-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Ag-La-O +mp-1185163,LaTa3,-9.5943326975,0.5330023012,0.5330023012,0.5330023012,GGA,P6_3/mmc,AB3_hP8_194_c_h:La-Ta,8.0,AB3_hP8_194_c_h:La-Ta +mp-1104362,La2Ta2O9,-9.31404402,-3.3057541838,0.1236674097,0.1236674097,GGA,C2/m,A2B9C2_mC26_12_i_a4i_i:La-O-Ta,13.0,A2B9C2_mC26_12_i_a4i_i:La-O-Ta +mp-1180706,La2Ta2O9,-9.3132520446,-3.3049622084,0.1244593851,0.1244593851,GGA,P2_1/c,A2B9C2_mP26_14_e_a4e_e:La-O-Ta,26.0,A2B9C2_mC26_12_i_a4i_i:La-O-Ta +mp-771241,Ta3AgO8,-9.4466660577,-2.9483828424,0.0114101915,0.0114101915,GGA,P2_1/c,AB8C3_mP48_14_e_8e_3e:Ag-O-Ta,48.0,"Invalid WP multiplicities - AB8C3_mP48_14_e_31e_11e:Ag-O-Ta, expected Ta11AgO31 to be Ta3AgO8" +mp-849326,Ta3AgO8,-9.4466974537,-2.9484142385,0.0113787954,0.0113787954,GGA,Pmmn,AB8C3_oP96_59_2e_2a2bc4ef4g_2f2g:Ag-O-Ta,96.0,"Invalid WP multiplicities - AB8C3_oP96_59_5e_4a4b2c16e4f16g_7f7g:Ag-O-Ta, expected Ta21Ag5O58 to be Ta3AgO8" +mp-1101326,Ta3AgO8,-9.4263472729,-2.9280640576,0.0317289763,0.0317289763,GGA,Ibam,AB8C3_oI48_72_a_2jk_bj:Ag-O-Ta,24.0,"Invalid WP multiplicities - AB8C3_oI48_72_a_3j2k_b2j:Ag-O-Ta, expected Ta5AgO14 to be Ta3AgO8" +mp-754796,NaTmO2,-7.1384043506,-3.2154698158,0.0017510719,-0.1174207116,GGA,C2/c,AB2C_mC32_15_2e_2f_2e:Na-O-Tm,16.0,"Invalid WP multiplicities - AB2C_mC32_15_3e_5f_3e:Na-O-Tm, expected Na3Tm3O10 to be NaTmO2" +mp-754334,NaTmO2,-7.12445418,-3.2015196452,0.0157012425,-0.1034705409,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Tm,8.0,AB2C_tI16_141_a_e_b:Na-O-Tm +mp-754825,NaTmO2,-7.1401554225,-3.2172208877,0.0,-0.1191717834,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Tm,4.0,AB2C_hR12_166_a_c_b:Na-O-Tm +mp-1187655,TmGeO3,-7.096192958,-2.3084070756,0.7512309106,0.7512309106,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Tm,5.0,AB3C_cP5_221_b_c_a:Ge-O-Tm +mp-18629,NaTmGeO4,-7.2156079286,-2.900158869,0.0,-0.0378079057,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Tm,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Tm +mp-768517,Tm2GeO5,-8.1754507947,-3.3869330124,0.0171691097,0.0147830037,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ge-O-Tm,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_19e_3e:Ge-O-Tm, expected Tm3GeO19 to be Tm2GeO5" +mp-756949,Tm2GeO5,-8.0904617531,-3.3019439709,0.1021581512,0.0997720453,GGA,C2/c,AB5C2_mC32_15_a_e2f_f:Ge-O-Tm,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_c_2e4f_f:Ge-O-Tm, expected Tm2GeO10 to be Tm2GeO5" +mp-770409,Tm2GeO5,-8.1926199044,-3.4041021221,0.0,-0.0023861059,GGA,C2/c,AB5C2_mC64_15_f_5f_2f:Ge-O-Tm,32.0,"Invalid WP multiplicities - AB5C2_mC64_15_f_15f_5f:Ge-O-Tm, expected Tm5GeO15 to be Tm2GeO5" +mp-770379,Tm2GeO5,-8.1851787838,-3.3966610015,0.0074411206,0.0050550147,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Ge-O-Tm,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_5c:Ge-O-Tm, expected Tm5GeO17 to be Tm2GeO5" +mp-14708,Tm2Ge2O7,-7.8894991166,-3.0872675225,0.0,-0.0448511437,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Ge-O-Tm,44.0,A2B7C2_tP44_92_b_a3b_b:Ge-O-Tm +mp-1113628,Rb3NiF6,-4.586582299,-2.5675210288,0.0327932245,0.0327932245,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ni-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Ni-Rb +mp-690539,CrNiF6,-5.8987801588,-2.5360229144,0.0,-0.0358610425,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Ni,8.0,AB6C_hR24_148_a_f_b:Cr-F-Ni +mp-1219589,RbCrNiF6,-5.9501784956,-2.8521127147,0.0,-0.023734709,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Cr-F-Ni-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Cr-F-Ni-Rb, expected RbCrNiF12 to be RbCrNiF6" +mp-1179708,RbNi2F6,-5.0028605639,-2.3351182042,0.0202453161,0.0202453161,GGA+U,Imma,A6B2C_oI36_74_2ej_ac_e:F-Ni-Rb,18.0,"Invalid WP multiplicities - A6B2C_oI36_74_3e4j_ac_e:F-Ni-Rb, expected RbNi2F19 to be RbNi2F6" +mp-556497,RbNi2F6,-5.0047321811,-2.3369898214,0.0183736989,0.0183736989,GGA+U,Fd-3m,A6B2C_cF72_227_f_c_b:F-Ni-Rb,18.0,A6B2C_cF72_227_f_c_b:F-Ni-Rb +mp-556417,Rb2NiF6,-4.5258302567,-2.3913770756,0.0,-0.0852196223,GGA+U,Fm-3m,A6BC2_cF36_225_e_a_c:F-Ni-Rb,9.0,A6BC2_cF36_225_e_a_c:F-Ni-Rb +mp-561317,Rb2NiF4,-4.9104083114,-2.7122482121,0.0,-0.0215287914,GGA+U,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Ni-Rb,7.0,A4BC2_tI14_139_ce_a_e:F-Ni-Rb +mp-17362,Rb3NiF7,-4.4770268523,-2.4677457914,0.0114788114,0.0114788114,GGA+U,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Ni-Rb,22.0,A7BC3_tP22_127_ahk_c_bg:F-Ni-Rb +mp-556488,RbNiF3,-5.11621333,-2.617191799,0.0,-0.022813061,GGA+U,P6_3/mmc,A3BC_hP30_194_hk_af_bf:F-Ni-Rb,30.0,A3BC_hP30_194_hk_af_bf:F-Ni-Rb +mp-1111401,Rb2TiAuF6,-5.308336221,-2.8484046243,0.2738288657,0.2738288657,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ti +mp-867188,RbNpCuS3,-6.4958386183,-1.4230269476,0.0,-0.1798629066,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cu-Np-Rb-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_a_c_2c3f:Cu-Np-Rb-S, expected RbNpCuS8 to be RbNpCuS3" +mp-1186969,RbNp3,-8.3313918275,1.6245764516,1.6245764516,1.6245764516,GGA,I4/mmm,A3B_tI8_139_ad_b:Np-Rb,4.0,A3B_tI8_139_ad_b:Np-Rb +mp-1186913,RbNp3,-8.327215165,1.6287531141,1.6287531141,1.6287531141,GGA,Pm-3m,A3B_cP4_221_c_a:Np-Rb,4.0,A3B_cP4_221_c_a:Np-Rb +mp-760590,Li5(CuO2)3,-5.2860129707,-1.6058439271,0.0189585976,0.0189585976,GGA,P1,A3B5C6_aP14_1_3a_5a_6a:Cu-Li-O,14.0,A3B5C6_aP14_1_3a_5a_6a:Cu-Li-O +mp-756188,LiCu3O4,-5.4003708481,-1.1512086329,0.0461156906,0.0461156906,GGA,C2/c,A3BC4_mC32_15_acd_b_2f:Cu-Li-O,16.0,"Invalid WP multiplicities - A3BC4_mC32_15_2a2cd_b_7f:Cu-Li-O, expected LiCu5O14 to be LiCu3O4" +mp-758475,Li4(CuO2)3,-5.3593805188,-1.5429617693000002,0.0082133973,0.0082133973,GGA,Cm,A3B4C6_mC52_8_2a2b_2a3b_4a4b:Cu-Li-O,26.0,"Invalid WP multiplicities - A3B4C6_mC52_8_2a4b_2a6b_4a8b:Cu-Li-O, expected Li7(CuO2)5 to be Li4(CuO2)3" +mp-752615,Li4(CuO2)3,-5.3398593562,-1.5234406066,0.02773456,0.02773456,GGA,Cm,A3B4C6_mC26_8_3a_4a_6a:Cu-Li-O,13.0,A3B4C6_mC26_8_3a_4a_6a:Cu-Li-O +mp-25248,Li4(CuO2)3,-5.3475221596,-1.5311034101,0.0200717565,0.0200717565,GGA,C2/m,A3B4C6_mC52_12_ij_gij_2i2j:Cu-Li-O,26.0,"Invalid WP multiplicities - A3B4C6_mC52_12_2i3j_2g2i3j_4i5j:Cu-Li-O, expected Li5Cu4O7 to be Li4(CuO2)3" +mp-770818,Li3Cu5O4,-4.9857122767,-1.1515825437,0.0846778565,0.0846778565,GGA,P2_1/c,A5B3C4_mP48_14_5e_3e_4e:Cu-Li-O,48.0,"Invalid WP multiplicities - A5B3C4_mP48_14_17e_11e_13e:Cu-Li-O, expected Li11Cu17O13 to be Li3Cu5O4" +mp-25385,Li(CuO2)2,-5.3635052757,-1.0929208398,0.0354380055,0.0354380055,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cu-Li-O,14.0,A2BC4_cF56_227_c_b_e:Cu-Li-O +mp-771644,Li3Cu5O8,-5.3578116994,-1.2455422219,0.0787287187,0.0787287187,GGA,R-3m,A5B3C8_hR48_166_abd_e_ch:Cu-Li-O,16.0,"Invalid WP multiplicities - A5B3C8_hR48_166_abd_e_2ch:Cu-Li-O, expected Li3(CuO2)5 to be Li3Cu5O8" +mp-752512,Li6CuO4,-5.0446463395,-1.8319646382,0.0552135874,0.0552135874,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cu-Li-O,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Cu-Li-O, expected Li16CuO4 to be Li6CuO4" +mp-755646,LiCuO,-4.989466885,-1.3378608024,0.0955098858,0.048088615,GGA,Cmcm,ABC_oC12_63_a_c_c:Cu-Li-O,6.0,ABC_oC12_63_a_c_c:Cu-Li-O +mp-5127,LiCuO,-5.0849767708,-1.4333706882,0.0,-0.0474212708,GGA,I4/mmm,ABC_tI24_139_h_i_j:Cu-Li-O,12.0,ABC_tI24_139_h_i_j:Cu-Li-O +mp-1009014,LiCuO,-4.6838497533,-1.0322436707,0.4011270175,0.3537057467,GGA,F-43m,ABC_cF12_216_a_b_c:Cu-Li-O,3.0,ABC_cF12_216_a_b_c:Cu-Li-O +mp-1097197,LiZrCu2,-2.449258025,2.2145011842,2.3369438421,2.3369438421,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Li-Zr,4.0,A2BC_oI8_71_e_a_b:Cu-Li-Zr +mp-774800,Li15Zr7(Cu3O14)2,-6.9915618027,-2.4992355287,0.0535317942,0.0535317942,GGA,P1,A6B15C28D7_aP56_1_6a_15a_28a_7a:Cu-Li-O-Zr,56.0,A6B15C28D7_aP56_1_6a_15a_28a_7a:Cu-Li-O-Zr +mp-1239022,Li2CuO2,-5.192076336,-1.6299903708,0.0473753112,0.0473753112,GGA,C2/m,AB2C2_mC10_12_a_i_i:Cu-Li-O,5.0,AB2C2_mC10_12_a_i_i:Cu-Li-O +mp-4711,Li2CuO2,-5.225018256,-1.6629322908000002,0.0144333912,0.0144333912,GGA,Immm,AB2C2_oI10_71_a_e_f:Cu-Li-O,5.0,AB2C2_oI10_71_a_e_f:Cu-Li-O +mp-1147636,Li2CuO2,-4.770268306,-1.2081823408,0.4691833412,0.4691833412,GGA,I4/mmm,AB2C2_tI10_139_a_d_c:Cu-Li-O,5.0,AB2C2_tI10_139_a_d_c:Cu-Li-O +mp-754213,Li2ZrCuO4,-6.9779156387,-2.446477154,0.0700197069,0.0700197069,GGA,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Cu-Li-O-Zr,8.0,"Invalid WP multiplicities - AB2C4D_tI16_119_a_bc_2e2f_d:Cu-Li-O-Zr, expected Li2ZrCuO8 to be Li2ZrCuO4" +mp-19970,Li3CuO3,-5.3056551657,-1.7819349652,0.0,-0.06894407,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Cu-Li-O,28.0,AB3C3_tP28_136_f_fi_gi:Cu-Li-O +mp-1222774,Li(CuO)3,-5.1698637929,-1.0203482199,0.1330569832,0.1330569832,GGA,P4mm,A3BC3_tP7_99_a2b_a_a2b:Cu-Li-O,7.0,A3BC3_tP7_99_a2b_a_a2b:Cu-Li-O +mp-753848,Li(CuO)3,-5.2625273779,-1.1130118049,0.0403933982,0.0403933982,GGA,P4/nmm,A3BC3_tP14_129_abc_c_cf:Cu-Li-O,14.0,"Invalid WP multiplicities - A3BC3_tP14_129_2a2bc_c_c2f:Cu-Li-O, expected Li(CuO)5 to be Li(CuO)3" +mp-765613,Li(CuO)3,-5.2655508189,-1.116035246,0.0373699571,0.0373699571,GGA,I4/mmm,A3BC3_tI56_139_cd2eg_2e_abe2g:Cu-Li-O,28.0,"Invalid WP multiplicities - A3BC3_tI56_139_2c2d2e3g_3e_ab2e5g:Cu-Li-O, expected Li3Cu12O13 to be Li(CuO)3" +mp-1147702,Li(CuO)3,-5.2516177786,-1.1021022057,0.0513029975,0.0513029975,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cu-Li-O,7.0,A3BC3_cP7_221_c_a_d:Cu-Li-O +mp-25317,Li3(CuO2)2,-5.3113681822,-1.5655974283,0.0300033422,0.0300033422,GGA,C2,A2B3C4_mC18_5_ab_2ab_2c:Cu-Li-O,9.0,"Invalid WP multiplicities - A2B3C4_mC18_5_ab_2ab_3c:Cu-Li-O, expected Li3(CuO3)2 to be Li3(CuO2)2" +mp-1222709,Li3(CuO2)2,-5.3310450156,-1.5852742617,0.0103265089,0.0103265089,GGA,Cm,A2B3C4_mC18_8_2a_3a_4a:Cu-Li-O,9.0,A2B3C4_mC18_8_2a_3a_4a:Cu-Li-O +mp-545467,Li3(CuO2)2,-5.3288768089000005,-1.583106055,0.0124947156,0.0124947156,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Cu-Li-O,9.0,"Invalid WP multiplicities - A2B3C4_mC18_12_i_a2i_2i:Cu-Li-O, expected Li5(CuO2)2 to be Li3(CuO2)2" +mp-758382,Li7(CuO2)6,-5.3747546012,-1.4820360163,0.021159498,0.021159498,GGA,P-1,A6B7C12_aP25_2_3i_a3i_6i:Cu-Li-O,25.0,"Invalid WP multiplicities - A6B7C12_aP25_2_6i_a5i_12i:Cu-Li-O, expected Li11(CuO2)12 to be Li7(CuO2)6" +mp-753845,LiCuO2,-5.3891355781,-1.4137588383000002,0.0374587194,-0.015237608,GGA,P1,ABC2_aP16_1_4a_4a_8a:Cu-Li-O,16.0,ABC2_aP16_1_4a_4a_8a:Cu-Li-O +mp-759720,LiCuO2,-5.38983171,-1.4144549702,0.0367625875,-0.0159337399,GGA,P-1,ABC2_aP32_2_4i_4i_8i:Cu-Li-O,32.0,"Invalid WP multiplicities - ABC2_aP32_2_7i_7i_15i:Cu-Li-O, expected Li7Cu7O15 to be LiCuO2" +mp-773044,LiCuO2,-5.4018835987,-1.426506859,0.0247106987,-0.0279856287,GGA,Cm,ABC2_mC16_8_2a_2a_4a:Cu-Li-O,8.0,ABC2_mC16_8_2a_2a_4a:Cu-Li-O +mp-9158,LiCuO2,-5.4265942975,-1.4512175577,0.0,-0.0526963274,GGA,C2/m,ABC2_mC8_12_a_c_i:Cu-Li-O,4.0,ABC2_mC8_12_a_c_i:Cu-Li-O +mp-996987,LiCuO2,-5.4050002712000005,-1.4296235315,0.0215940262,-0.0311023012,GGA,Pnnm,ABC2_oP8_58_a_c_g:Cu-Li-O,8.0,ABC2_oP8_58_a_c_g:Cu-Li-O +mp-996986,LiCuO2,-5.3814923412,-1.4061156015,0.0451019562,-0.0075943712,GGA,Cmcm,ABC2_oC16_63_c_c_f:Cu-Li-O,8.0,ABC2_oC16_63_c_c_f:Cu-Li-O +mp-754912,LiCuO2,-5.3195846925,-1.3442079527,0.107009605,0.0543132776,GGA,P3m1,ABC2_hP4_156_b_a_ac:Cu-Li-O,4.0,ABC2_hP4_156_b_a_ac:Cu-Li-O +mp-25372,LiCuO2,-5.35860648,-1.3832297402,0.0679878175,0.0152914901,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Li-O,4.0,ABC2_hR12_166_a_b_c:Cu-Li-O +mp-18162,Li(CuO)2,-5.232848735,-1.2327060092,0.0046888395,0.0046888395,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Cu-Li-O,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_3c_c_4c:Cu-Li-O, expected LiCu3O4 to be Li(CuO)2" +mp-553966,Li(CuO)2,-5.232634383,-1.2324916572,0.0049031915,0.0049031915,GGA,P4_2/nmc,A2BC2_tP40_137_2g_g_2g:Cu-Li-O,40.0,"Invalid WP multiplicities - A2BC2_tP40_137_12g_g_9g:Cu-Li-O, expected Li(Cu4O3)3 to be Li(CuO)2" +mp-756495,Li3CuO2,-4.9384865458,-1.6519277637,0.0957685862,0.0957685862,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:Cu-Li-O,24.0,"Invalid WP multiplicities - AB3C2_mP24_14_e_11e_7e:Cu-Li-O, expected Li11CuO7 to be Li3CuO2" +mp-753081,Li3(CuO)4,-5.1104530773,-1.3004212477,0.0438695134,0.0438695134,GGA,Imm2,A4B3C4_oI22_44_2c_ac_2bc:Cu-Li-O,11.0,"Invalid WP multiplicities - A4B3C4_oI22_44_4c_a2c_2b2c:Cu-Li-O, expected Li5(Cu4O3)2 to be Li3(CuO)4" +mp-780217,Li7CuO4,-4.9157657525000005,-1.8117306207,0.0931285602,0.0931285602,GGA,P4_2/nmc,AB7C4_tP24_137_a_bdf_g:Cu-Li-O,24.0,"Invalid WP multiplicities - AB7C4_tP24_137_a_2b4d3f_g:Cu-Li-O, expected Li22CuO4 to be Li7CuO4" +mp-1192892,BaTmCo4O7,-7.4346541473,-2.0919693379,0.0153661825,0.0153661825,GGA+U,Cc,AB4C7D_mC52_9_a_4a_7a_a:Ba-Co-O-Tm,26.0,"Invalid WP multiplicities - AB4C7D_mC52_9_a_7a_13a_a:Ba-Co-O-Tm, expected BaTmCo7O13 to be BaTmCo4O7" +mp-1203002,BaTmCo4O7,-7.3899220783,-2.0472372689,0.0600982515,0.0600982515,GGA+U,Pna2_1,AB4C7D_oP52_33_a_4a_7a_a:Ba-Co-O-Tm,52.0,AB4C7D_oP52_33_a_4a_7a_a:Ba-Co-O-Tm +mp-505193,BaTm2CoO5,-7.8693775833,-3.123554568,0.0758841321,0.0758841321,GGA+U,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Tm,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Tm +mp-561954,TmCoO3,-7.929291278,-2.6444474076,0.0201886943,0.0201886943,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_4c4d_c:Co-O-Tm, expected TmCoO12 to be TmCoO3" +mp-1227040,CdGeO3,-5.230886904,-1.1536901542,0.7127611876000001,0.7127611876000001,GGA,Cc,ABC3_mC20_9_a_a_3a:Cd-Ge-O,10.0,ABC3_mC20_9_a_a_3a:Cd-Ge-O +mp-2951,CdGeO3,-5.9424255485,-1.8652287988,0.0012225431,0.0012225431,GGA,C2/c,ABC3_mC40_15_2e_f_3f:Cd-Ge-O,20.0,ABC3_mC40_15_2e_f_3f:Cd-Ge-O +mp-685935,CdGeO3,-5.846945601,-1.7697488513,0.0967024906,0.0967024906,GGA,Cmc2_1,ABC3_oC20_36_a_a_ab:Cd-Ge-O,10.0,"Invalid WP multiplicities - ABC3_oC20_36_a_a_2a2b:Cd-Ge-O, expected CdGeO6 to be CdGeO3" +mp-13003,CdGeO3,-5.8255737845,-1.7483770347,0.1180743071,0.1180743071,GGA,Pnma,ABC3_oP20_62_c_a_cd:Cd-Ge-O,20.0,ABC3_oP20_62_c_a_cd:Cd-Ge-O +mp-7588,CdGeO3,-5.9268220389,-1.8496252891,0.0168260528,0.0168260528,GGA,I4_1/a,ABC3_tI160_88_cef_abdf_6f:Cd-Ge-O,80.0,"Invalid WP multiplicities - ABC3_tI160_88_cef_abdf_9f:Cd-Ge-O, expected Cd2Ge2O9 to be CdGeO3" +mp-8275,CdGeO3,-5.921550844,-1.8443540943,0.0220972476,0.0220972476,GGA,R-3,ABC3_hR30_148_c_c_f:Cd-Ge-O,10.0,ABC3_hR30_148_c_c_f:Cd-Ge-O +mp-1016903,CdGeO3,-5.64122451,-1.5640277602,0.3024235816,0.3024235816,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cd-Ge-O,5.0,ABC3_cP5_221_a_b_c:Cd-Ge-O +mp-1214704,Ba4Cd11Ge12,-2.8007985361000003,-0.0858347813,0.1765962657,0.1765962657,GGA,Pm-3n,A4B11C12_cP54_223_ac_di_k:Ba-Cd-Ge,54.0,A4B11C12_cP54_223_ac_di_k:Ba-Cd-Ge +mp-1193812,Cd2(GeO3)3,-5.9433458718,-1.6408414799000002,0.1389902833,0.1389902833,GGA,P-1,A2B3C9_aP28_2_2i_3i_9i:Cd-Ge-O,28.0,A2B3C9_aP28_2_2i_3i_9i:Cd-Ge-O +mp-1069712,Ba(CdGe)2,-2.9537186440000003,-0.35155661,0.0,-0.0213833745,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Cd-Ge,5.0,AB2C2_tI10_139_a_d_e:Ba-Cd-Ge +mp-3917,Cd2GeO4,-5.5238491961000005,-1.7730545932,0.0,-0.0506489629,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Cd-Ge-O,28.0,A2BC4_oP28_62_ac_c_2cd:Cd-Ge-O +mp-7762,CdGe2O5,-6.2983643094,-1.9355656811,0.0126078159,0.0126078159,GGA,P-1,AB2C5_aP16_2_i_abi_5i:Cd-Ge-O,16.0,AB2C5_aP16_2_i_abi_5i:Cd-Ge-O +mp-732189,Cd3GeO6,-5.046145639,-1.3389626988,0.1752450584,0.1752450584,GGA,Pmn2_1,A3BC6_oP20_31_ab_a_2a2b:Cd-Ge-O,20.0,A3BC6_oP20_31_ab_a_2a2b:Cd-Ge-O +mp-1228889,Ba2CdGe10,-4.1653957098,-0.2430020029,0.0081553637,0.0081553637,GGA,Ama2,A2BC10_oC104_40_a3b_ab_4b8c:Ba-Cd-Ge,52.0,"Invalid WP multiplicities - A2BC10_oC104_40_2a3b_2ab_8b28c:Ba-Cd-Ge, expected Ba5Cd3Ge64 to be Ba2CdGe10" +mp-29213,Cd2Ge7O16,-6.5313665454,-1.99720679,0.0,-0.0043626327,GGA,P-4b2,A2B7C16_tP50_117_g_dgi_4i:Cd-Ge-O,50.0,"Invalid WP multiplicities - A2B7C16_tP50_117_g_dgi_5i:Cd-Ge-O, expected Cd2Ge7O20 to be Cd2Ge7O16" +mp-11816,BaCdGe,-2.9529897717,-0.4646922533,0.0,-0.0294291691,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Cd-Ge,6.0,ABC_hP6_194_a_c_d:Ba-Cd-Ge +mp-1214739,Ba2CdGe2O7,-6.5612894183,-2.5084797243,0.0,-0.0336179496,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Ba-Cd-Ge-O,24.0,A2BC2D7_tP24_113_e_a_e_cef:Ba-Cd-Ge-O +mp-1214603,Ba3Cd(GeO4)2,-6.5327474271,-2.568506,0.0327330098,0.0327330098,GGA,P-3m1,A3BC2D8_hP14_164_ad_b_d_di:Ba-Cd-Ge-O,14.0,A3BC2D8_hP14_164_ad_b_d_di:Ba-Cd-Ge-O +mp-1093582,Ba2CdGe,-1.3035203475,1.0424465263,1.5044454525000002,1.5044454525000002,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Ge,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Ge +mp-13538,KPrSiSe4,-5.1289183871,-1.5145942953,0.0,-0.1431409022,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:K-Pr-Se-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_5a_a:K-Pr-Se-Si, expected KPrSiSe5 to be KPrSiSe4" +mp-1196663,La4InSbS9,-6.1663456188,-1.909494806,0.0,-0.0077133773,GGA,P4_12_12,AB4C9D_tP120_92_b_4b_2a8b_b:In-La-S-Sb,120.0,AB4C9D_tP120_92_b_4b_2a8b_b:In-La-S-Sb +mp-1195582,La8Sb2S15,-6.5052273041,-2.1135150112,0.0,-0.0078020956,GGA,I4_1cd,A8B15C2_tI200_110_4b_a7b_b:La-S-Sb,100.0,A8B15C2_tI200_110_4b_a7b_b:La-S-Sb +mp-1208190,TlBi(MoO4)2,-7.4752826571,-1.8529541415,0.0,-0.0100200003,GGA+U,P2_1/c,AB2C8D_mP48_14_e_2e_8e_e:Bi-Mo-O-Tl,48.0,AB2C8D_mP48_14_e_2e_8e_e:Bi-Mo-O-Tl +mp-1214235,BiMoO2,-6.9852060813,-0.8403269156000001,0.6764756225,0.6764756225,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Bi-Mo-O,16.0,ABC2_tI32_141_c_d_h:Bi-Mo-O +mp-648007,Tl2Mo4O13,-7.7656785766,-1.8491080513,0.0,-0.0042367665,GGA+U,Pbca,A4B13C2_oP152_61_4c_13c_2c:Mo-O-Tl,152.0,"Invalid WP multiplicities - A4B13C2_oP152_61_24c_96c_11c:Mo-O-Tl, expected Tl11(MoO4)24 to be Tl2Mo4O13" +mp-23388,Bi2(MoO4)3,-7.7614560307,-1.9039152587,0.0,-0.0015709136,GGA+U,P2_1/c,A2B3C12_mP68_14_2e_3e_12e:Bi-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_mP68_14_2e_3e_14e:Bi-Mo-O, expected Bi2Mo3O14 to be Bi2(MoO4)3" +mp-1197854,Bi14Mo5O36,-7.0396500215,-1.8382701674,0.002671043,0.002671043,GGA+U,C2,A14B5C36_mC110_5_7c_a2c_2b17c:Bi-Mo-O,55.0,A14B5C36_mC110_5_7c_a2c_2b17c:Bi-Mo-O +mp-541775,Tl(MoO3)3,-7.9524380354,-1.8432232755,0.0382031792,0.0382031792,GGA+U,C2/m,A3B9C_mC52_12_ij_g4i2j_i:Mo-O-Tl,26.0,A3B9C_mC52_12_ij_g4i2j_i:Mo-O-Tl +mp-531130,TlBi25O39,-6.0969374946,-1.6154647079000002,0.0253987095,0.0253987095,GGA,P1,A25B39C_aP65_1_25a_39a_a:Bi-O-Tl,65.0,A25B39C_aP65_1_25a_39a_a:Bi-O-Tl +mp-28484,TlMo6O17,-8.2155752358,-1.9018147401,0.0131604038,0.0131604038,GGA+U,P-3m1,A6B17C_hP24_164_c2d_de2i_b:Mo-O-Tl,24.0,"Invalid WP multiplicities - A6B17C_hP24_164_c2d_de3i_b:Mo-O-Tl, expected TlMo6O23 to be TlMo6O17" +mp-698611,Bi28Mo2O47,-6.3745901321,-1.6769360374,0.0266997784,0.0266997784,GGA+U,P1,A28B2C47_aP77_1_28a_2a_47a:Bi-Mo-O,77.0,A28B2C47_aP77_1_28a_2a_47a:Bi-Mo-O +mp-1044194,BiMoO5,-7.1992421793,-1.5678732084,0.1919660187,0.1919660187,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Bi-Mo-O,28.0,"Invalid WP multiplicities - ABC5_mP28_14_e_e_15e:Bi-Mo-O, expected BiMoO15 to be BiMoO5" +mp-1042629,BiMoO5,-7.1708884432,-1.5395194723,0.2203197547,0.2203197547,GGA+U,Pbca,ABC5_oP56_61_c_c_5c:Bi-Mo-O,56.0,"Invalid WP multiplicities - ABC5_oP56_61_c_c_31c:Bi-Mo-O, expected BiMoO31 to be BiMoO5" +mp-1202541,Bi8(MoO7)3,-7.0663989624,-1.8432325154,0.0017059442,0.0017059442,GGA+U,P2_1/c,A8B3C21_mP128_14_8e_3e_21e:Bi-Mo-O,128.0,A8B3C21_mP128_14_8e_3e_21e:Bi-Mo-O +mp-557297,Tl3(MoO3)10,-8.0056150753,-1.8673571247,0.0185139551,0.0185139551,GGA+U,C2/m,A10B30C3_mC86_12_i2j_e6i4j_ai:Mo-O-Tl,43.0,"Invalid WP multiplicities - A10B30C3_mC86_12_2i5j_2f11i12j_ai:Mo-O-Tl, expected Tl3(Mo12O37)2 to be Tl3(MoO3)10" +mp-704535,Tl2Mo7O22,-7.9752001356,-1.8632004998,0.0154887595,0.0154887595,GGA+U,C2/c,A7B22C2_mC124_15_e3f_11f_f:Mo-O-Tl,62.0,"Invalid WP multiplicities - A7B22C2_mC124_15_e9f_42f_f:Mo-O-Tl, expected Tl2Mo19O84 to be Tl2Mo7O22" +mp-18938,Tl2MoO4,-6.713369245,-1.6622704952,0.0,-0.1084871466,GGA+U,C2,AB4C2_mC28_5_c_4c_abc:Mo-O-Tl,14.0,AB4C2_mC28_5_c_4c_abc:Mo-O-Tl +mp-558755,Tl2MoO4,-6.7044446393,-1.6533458895000002,0.0089246057,-0.0995625409,GGA+U,P-3m1,AB4C2_hP14_164_d_di_abd:Mo-O-Tl,14.0,"Invalid WP multiplicities - AB4C2_hP14_164_d_2d2i_ab2d:Mo-O-Tl, expected Tl3MoO8 to be Tl2MoO4" +mp-23423,Bi2MoO6,-7.2214039863,-1.8650972488,0.0042688445,-0.0068485895,GGA+U,P2_1/c,A2BC6_mP144_14_8e_4e_24e:Bi-Mo-O,144.0,A2BC6_mP144_14_8e_4e_24e:Bi-Mo-O +mp-23064,Bi2MoO6,-7.2256728308,-1.8693660933,0.0,-0.011117434,GGA+U,Pca2_1,A2BC6_oP36_29_2a_a_6a:Bi-Mo-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_29_5a_a_22a:Bi-Mo-O, expected Bi5MoO22 to be Bi2MoO6" +mp-555748,Bi2MoO6,-7.1814355839,-1.8251288464,0.0442372469,0.0331198129,GGA+U,Pbca,A2BC6_oP36_61_c_a_3c:Bi-Mo-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_61_c_a_15c:Bi-Mo-O, expected Bi2MoO30 to be Bi2MoO6" +mp-555658,Bi2MoO6,-7.17949545,-1.8231887125,0.0461773808,0.0350599468,GGA+U,Cmce,A2BC6_oC36_64_f_a_2ef:Bi-Mo-O,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_f_a_6e3f:Bi-Mo-O, expected Bi2MoO18 to be Bi2MoO6" +mp-554919,Tl4Mo5O17,-7.4912048458,-1.8076459524,0.0,-0.00884032,GGA+U,P-1,A5B17C4_aP52_2_5i_17i_4i:Mo-O-Tl,52.0,"Invalid WP multiplicities - A5B17C4_aP52_2_9i_33i_8i:Mo-O-Tl, expected Tl8(Mo3O11)3 to be Tl4Mo5O17" +mp-25272,Tl3(MoO4)2,-6.8198763208,-1.5619732938,0.1193754854,0.1193754854,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_2b2c_2ab:Mo-O-Tl,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_4b9c_4a2b:Mo-O-Tl, expected Tl6Mo2O31 to be Tl3(MoO4)2" +mp-1204598,Bi6Mo2O15,-7.0058650148,-1.8347969422,0.000582878,0.000582878,GGA+U,P2_1/c,A6B2C15_mP92_14_6e_2e_15e:Bi-Mo-O,92.0,A6B2C15_mP92_14_6e_2e_15e:Bi-Mo-O +mp-1182209,Bi(MoO5)2,-6.8165515615,-1.0474226029,0.4936798619,0.4936798619,GGA+U,P2_1/m,AB2C10_mP26_11_e_f_2e4f:Bi-Mo-O,26.0,AB2C10_mP26_11_e_f_2e4f:Bi-Mo-O +mp-1193126,Bi(MoO5)2,-6.9788117942,-1.2096828356,0.3314196292,0.3314196292,GGA+U,P2_1/m,AB2C10_mP26_11_e_f_2e4f:Bi-Mo-O,26.0,AB2C10_mP26_11_e_f_2e4f:Bi-Mo-O +mp-1183479,BiMoO3,-7.32215941,-1.4169183353,0.350626583,0.350626583,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Mo-O,5.0,ABC3_cP5_221_a_b_c:Bi-Mo-O +mp-691119,Bi14MoO24,-6.41705055,-1.7162037038,0.0,-0.001777465,GGA+U,P1,A14BC24_aP39_1_14a_a_24a:Bi-Mo-O,39.0,A14BC24_aP39_1_14a_a_24a:Bi-Mo-O +mp-685373,Bi14MoO24,-6.3188697971,-1.6180229509,0.0981807529,0.096403288,GGA+U,P-1,A14BC24_aP78_2_14i_be_24i:Bi-Mo-O,78.0,"Invalid WP multiplicities - A14BC24_aP78_2_28i_be_47i:Bi-Mo-O, expected Bi28MoO47 to be Bi14MoO24" +mp-1227628,Bi14MoO24,-6.3204028613,-1.6195560151,0.0966476887,0.0948702238,GGA+U,I4/m,A14BC24_tI78_87_ehi_a_gh2i:Bi-Mo-O,39.0,A14BC24_tI78_87_ehi_a_gh2i:Bi-Mo-O +mp-1229320,Bi26Mo10O69,-6.8910288763,-1.6564504043,0.1905818524,0.1905818524,GGA+U,P1,A26B10C69_aP105_1_26a_10a_69a:Bi-Mo-O,105.0,A26B10C69_aP105_1_26a_10a_69a:Bi-Mo-O +mp-1195168,Bi26Mo10O69,-7.0557807087,-1.8212022367,0.02583002,0.02583002,GGA+U,P-1,A26B10C69_aP105_2_ab12i_5i_c34i:Bi-Mo-O,105.0,A26B10C69_aP105_2_ab12i_5i_c34i:Bi-Mo-O +mp-558215,Bi10(MoO8)3,-6.9531229078,-1.8271128889,0.0,-0.0036799179,GGA+U,C2,A10B3C24_mC74_5_5c_ac_2b11c:Bi-Mo-O,37.0,"Invalid WP multiplicities - A10B3C24_mC74_5_10c_a2c_2b21c:Bi-Mo-O, expected Bi20Mo5O44 to be Bi10(MoO8)3" +mp-556586,Bi2Mo2O9,-7.5792481585,-1.8952114753,0.0,-0.0032555431,GGA+U,P2_1/c,A2B2C9_mP104_14_4e_4e_18e:Bi-Mo-O,104.0,"Invalid WP multiplicities - A2B2C9_mP104_14_14e_14e_71e:Bi-Mo-O, expected Bi14Mo14O71 to be Bi2Mo2O9" +mp-1218053,Ta3(CuS3)2,-7.4095144586,-1.1740194194,0.0,-0.0249462365,GGA,Cmc2_1,A2B6C3_oC44_36_2a_6a_3a:Cu-S-Ta,22.0,A2B6C3_oC44_36_4a_12a_6a:Cu-S-Ta +mp-1218656,Ta3(CuS3)2,-7.3234988436,-1.0880038044,0.086015615,0.0610693785,GGA,P3m1,A2B6C3_hP22_156_3ab_6a6b_3a3b:Cu-S-Ta,22.0,A2B6C3_hP22_156_3ab_6a6b_3a3b:Cu-S-Ta +mp-541975,Rb3Ta2S11,-5.7154775148,-1.205595889,0.0,-0.0055078183,GGA,P2_1/c,A3B11C2_mP64_14_3e_11e_2e:Rb-S-Ta,64.0,A3B11C2_mP64_14_3e_11e_2e:Rb-S-Ta +mp-1218215,Ta8(CuS8)3,-7.0134277429,-1.1152952327,0.014587451,0.014587451,GGA,Pm,A3B24C8_mP35_6_2ab_12a12b_4a4b:Cu-S-Ta,35.0,A3B24C8_mP35_6_2ab_12a12b_4a4b:Cu-S-Ta +mp-17220,Rb3TaS4,-5.4472760444,-1.52912863,0.0,-0.2785997184,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Rb-S-Ta,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_2c2d_2cd_c:Rb-S-Ta, expected Rb6TaS4 to be Rb3TaS4" +mp-676854,Ta14(CuS8)3,-8.0751020188,-1.3048263204,0.0,-0.0221138356,GGA,P1,A3B24C14_aP41_1_3a_24a_14a:Cu-S-Ta,41.0,A3B24C14_aP41_1_3a_24a_14a:Cu-S-Ta +mp-1217959,TaCuS2,-7.0718282613,-1.0143572528,0.061827215,0.061827215,GGA,P6_3mc,AB2C_hP8_186_b_2b_b:Cu-S-Ta,8.0,"Invalid WP multiplicities - AB2C_hP8_186_b_4b_b:Cu-S-Ta, expected TaCuS4 to be TaCuS2" +mp-1210450,Rb2TaCuS2,-4.6707571729,-0.3055984765,0.7421501354000001,0.7421501354000001,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Cu-Rb-S-Ta,24.0,AB2C2D_oF96_70_c_h_h_d:Cu-Rb-S-Ta +mp-680284,Rb6Ta4S25,-5.6233878687,-1.1455146794,0.0,-0.0377238705,GGA,C2/c,A6B25C4_mC140_15_3f_e12f_2f:Rb-S-Ta,70.0,"Invalid WP multiplicities - A6B25C4_mC140_15_10f_2e46f_3f:Rb-S-Ta, expected Rb10Ta3S47 to be Rb6Ta4S25" +mp-3102,TaCuS3,-6.7407894585,-1.0675226784,0.0,-0.0131756484,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cu-S-Ta,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_5c_c:Cu-S-Ta, expected TaCuS5 to be TaCuS3" +mp-14577,Rb4Ta2S11,-5.5617407797,-1.2594678335,0.0063963206,0.0063963206,GGA,Pca2_1,A4B11C2_oP68_29_4a_11a_2a:Rb-S-Ta,68.0,"Invalid WP multiplicities - A4B11C2_oP68_29_6a_16a_2a:Rb-S-Ta, expected Rb3TaS8 to be Rb4Ta2S11" +mp-686369,Ta22(CuS12)3,-8.1997520489,-1.2803926541,0.0327005237,0.0327005237,GGA,Cm,A3B36C22_mC122_8_3a_36a_22a:Cu-S-Ta,61.0,A3B36C22_mC122_8_3a_36a_22a:Cu-S-Ta +mp-10748,TaCu3S4,-5.95730053,-0.8696508916000001,0.0,-0.0879974093,GGA,P-43m,A3B4C_cP8_215_c_e_b:Cu-S-Ta,8.0,A3B4C_cP8_215_c_e_b:Cu-S-Ta +mp-663963,Rb2TaCuS4,-5.6441298663,-1.3361483772,0.0139319763,-0.02684566,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Rb-S-Ta,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Rb-S-Ta +mp-11923,Rb2TaCuS4,-5.6580618425,-1.3500803534,0.0,-0.0407776362,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-S-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-S-Ta +mp-1205999,Rb3TmF6,-5.415924367,-3.5272932224,0.039860419,-0.153475769,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-Tm,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-Tm +mp-1205998,Rb3TmF6,-5.455784786,-3.5671536414,0.0,-0.193336188,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Tm,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Tm +mp-1209090,RbTmBeF6,-6.200872795,-3.9047998877,0.0,-0.1778612637,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Tm,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Tm +mp-565968,Na2FeCuF7,-5.1632189381,-2.5637070072,0.0135941677,0.0135941677,GGA+U,C2/c,AB7CD2_mC176_15_2f_14f_cef_abde2f:Cu-F-Fe-Na,88.0,"Invalid WP multiplicities - AB7CD2_mC176_15_6f_51f_ae2f_2b2c2d2e6f:Cu-F-Fe-Na, expected Na10Fe3Cu6F51 to be Na2FeCuF7" +mp-560466,Na2FeCuF7,-5.1654085582,-2.5658966273,0.0114045476,0.0114045476,GGA+U,C2/c,AB7CD2_mC88_15_ac_7f_de_bef:Cu-F-Fe-Na,44.0,"Invalid WP multiplicities - AB7CD2_mC88_15_ac_7f_2d2e_bef:Cu-F-Fe-Na, expected Na2Fe2CuF7 to be Na2FeCuF7" +mp-2224279,In(FeO2)2,-7.2624452257,-1.6226622264,0.1255473675,0.1255473675,GGA+U,R3m,A2BC4_hR21_160_2a_a_4a:Fe-In-O,7.0,A2BC4_hR21_160_2a_a_4a:Fe-In-O +mp-20693,In(FeO2)2,-7.2940131714,-1.6542301721,0.0939794218,0.0939794218,GGA+U,R-3m,A2BC4_hR21_166_c_a_2c:Fe-In-O,7.0,A2BC4_hR21_166_c_a_2c:Fe-In-O +mp-759922,InFe11O16,-7.854124610399999,-1.6016625954,0.069835096,0.069835096,GGA+U,Cmcm,A11BC16_oC112_63_abcd3g_c_2f4gh:Fe-In-O,56.0,"Invalid WP multiplicities - A11BC16_oC112_63_ab2cd6g_c_4f8g2h:Fe-In-O, expected In(Fe9O16)2 to be InFe11O16" +mp-768276,InFe17O24,-7.9132272667,-1.5926898055,0.0702843411,0.0702843411,GGA+U,Imm2,A17BC24_oI84_44_a5cde_b_6c2d2e:Fe-In-O,42.0,"Invalid WP multiplicities - A17BC24_oI84_44_a10cd2e_b_12c2d5e:Fe-In-O, expected InFe31O48 to be InFe17O24" +mp-21094,InFeO3,-7.017711596,-1.8053573813,0.047483368,0.047483368,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_bf:Fe-In-O,10.0,ABC3_hP10_194_c_a_bf:Fe-In-O +mp-1224545,In2FeSbO7,-6.6344654191,-1.8409007928,0.0682475582,0.0682475582,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Fe-In-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Fe-In-O-Sb, expected In2FeSbO13 to be In2FeSbO7" +mp-760104,InFe29O40,-7.975882786,-1.6008849679,0.055270343,0.055270343,GGA+U,I-4,A29BC40_tI140_82_a7g_c_10g:Fe-In-O,70.0,"Invalid WP multiplicities - A29BC40_tI140_82_a25g_c_31g:Fe-In-O, expected InFe101O124 to be InFe29O40" +mp-1111136,K2RbAuCl6,-3.259480222,-1.5028368293,0.2027230805,0.2027230805,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Rb +mp-1114398,KRb2AuCl6,-3.306920148,-1.5632632428000002,0.1396243215,0.1396243215,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-K-Rb +mp-573755,CsTeAu,-3.29119206,-0.8536619715,0.001417135,-0.1479829608,GGA,Pmma,ABC_oP6_51_a_f_e:Au-Cs-Te,6.0,ABC_oP6_51_a_f_e:Au-Cs-Te +mp-1541909,CsTeAu,-3.292609195,-0.8550791065000001,0.0,-0.1494000958,GGA,Pmma,ABC_oP6_51_a_f_e:Au-Cs-Te,6.0,ABC_oP6_51_a_f_e:Au-Cs-Te +mp-1102029,CsUTe3Au,-5.0947267833,-0.9462914397,0.0,-0.0392561008,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Au-Cs-Te-U,12.0,ABC3D_oC24_63_c_c_cf_a:Au-Cs-Te-U +mp-1225245,FeMo6Rh3N2,-9.6291083892,-0.269955445,0.0139531796,0.0139531796,GGA,P2_1,AB6C2D3_mP24_4_a_6a_2a_3a:Fe-Mo-N-Rh,24.0,"Invalid WP multiplicities - AB6C2D3_mP24_4_a_9a_2a_5a:Fe-Mo-N-Rh, expected FeMo9Rh5N2 to be FeMo6Rh3N2" +mp-580234,Fe3RhN,-8.368635934,-0.146462649,0.0,-0.0027054405,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Fe-N-Rh,5.0,A3BC_cP5_221_c_b_a:Fe-N-Rh +mp-1224957,Fe3Mo6RhN2,-9.7784477987,-0.2350092979,0.0,-0.0039497533,GGA,P2_1,A3B6C2D_mP24_4_3a_6a_2a_a:Fe-Mo-N-Rh,24.0,"Invalid WP multiplicities - A3B6C2D_mP24_4_5a_9a_2a_a:Fe-Mo-N-Rh, expected Fe5Mo9RhN2 to be Fe3Mo6RhN2" +mp-1106239,MnBiO3,-7.383415411,-1.8149012998,0.0299001161,0.0299001161,GGA+U,Cc,ABC3_mC40_9_2a_2a_6a:Bi-Mn-O,20.0,ABC3_mC40_9_2a_2a_6a:Bi-Mn-O +mp-556711,MnBiO3,-7.3154482555,-1.7469341443,0.0978672716,0.0978672716,GGA+U,P2_1/c,ABC3_mP40_14_2e_abe_6e:Bi-Mn-O,40.0,"Invalid WP multiplicities - ABC3_mP40_14_4e_2a2b3e_23e:Bi-Mn-O, expected Mn5Bi4O23 to be MnBiO3" +mp-1194603,MnBiO3,-7.387102695,-1.8185885838,0.0262128321,0.0262128321,GGA+U,P2_1/c,ABC3_mP40_14_2e_ade_6e:Bi-Mn-O,40.0,ABC3_mP40_14_2e_abe_6e:Bi-Mn-O +mp-23477,MnBiO3,-7.385154106,-1.8166399948,0.0281614211,0.0281614211,GGA+U,C2/c,ABC3_mC40_15_f_ce_3f:Bi-Mn-O,20.0,ABC3_mC40_15_f_ae_3f:Bi-Mn-O +mp-1202955,MnBiO3,-7.3785068574,-1.8099927462,0.0348086697,0.0348086697,GGA+U,Pmn2_1,ABC3_oP80_31_4a2b_4b_4a10b:Bi-Mn-O,80.0,ABC3_oP80_31_4a2b_4b_4a10b:Bi-Mn-O +mp-1105271,MnBiO3,-7.3876401055,-1.8191259943,0.0256754216,0.0256754216,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Bi-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Bi-Mn-O +mp-1044195,MnZnBiO5,-6.4439171475,-1.569455699,0.122096715,0.122096715,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mn-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mn-O-Zn, expected MnZnBiO15 to be MnZnBiO5" +mp-1042652,MnZnBiO5,-6.382214898,-1.5077534494,0.1837989645,0.1837989645,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mn-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mn-O-Zn, expected MnZnBiO31 to be MnZnBiO5" +mp-1378105,ZnBiO3,-5.510322412,-1.5222626373,0.080627896,0.080627896,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Bi-O-Zn,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2a2d_7e_e:Bi-O-Zn, expected ZnBi2O7 to be ZnBiO3" +mp-971706,ZnBiO3,-5.210530708,-1.2224709333,0.3804195999999999,0.3804195999999999,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-Zn,5.0,AB3C_cP5_221_a_c_b:Bi-O-Zn +mp-1330266,Zn3Bi2O7,-5.3892139175,-1.5486280784000002,0.0857032425,0.0857032425,GGA,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Bi-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Bi-O-Zn, expected Zn3Bi2O9 to be Zn3Bi2O7" +mp-1043879,ZnBi3O7,-5.6905012655,-1.3806801765,0.1536122745,0.1536122745,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Bi-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Bi-O-Zn, expected ZnBi5O7 to be ZnBi3O7" +mp-1046780,Zn2Bi2O5,-5.3716874856,-1.4901420371,0.2296006689,0.2296006689,GGA,P1,A2B5C2_aP18_1_4a_10a_4a:Bi-O-Zn,18.0,A2B5C2_aP18_1_4a_10a_4a:Bi-O-Zn +mp-757801,Mn(Bi5O8)5,-6.2295154471,-1.6379731442,0.028993798,0.028993798,GGA+U,C2,A25BC40_mC132_5_a12c_b_20c:Bi-Mn-O,66.0,"Invalid WP multiplicities - A25BC40_mC132_5_a24c_b_39c:Bi-Mn-O, expected MnBi49O78 to be Mn(Bi5O8)5" +mp-1045326,Zn(BiO3)2,-5.5786103083,-1.2874042931,0.0954662418,0.0954662418,GGA,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Bi-O-Zn,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_2a3b_a:Bi-O-Zn, expected Zn(BiO4)2 to be Zn(BiO3)2" +mp-1047025,Zn(BiO2)2,-5.6619770524,-1.5580518074,0.1411787405,0.1411787405,GGA,P1,A2B4C_aP42_1_12a_24a_6a:Bi-O-Zn,42.0,A2B4C_aP42_1_12a_24a_6a:Bi-O-Zn +mp-1042270,Zn(BiO2)2,-5.7346145129,-1.6306892679,0.06854128,0.06854128,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Bi-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_3i_7i_i:Bi-O-Zn, expected ZnBi3O7 to be Zn(BiO2)2" +mp-1047596,Zn(BiO2)2,-5.6194822911,-1.5155570461,0.1836735018,0.1836735018,GGA,Pbcm,A2B4C_oP28_57_e_cde_d:Bi-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Bi-O-Zn, expected Zn(BiO8)2 to be Zn(BiO2)2" +mp-1047141,Zn(BiO2)2,-5.5910315793,-1.4871063343,0.2121242136,0.2121242136,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Bi-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Bi-O-Zn +mp-1047431,Zn(BiO2)2,-5.5157481771,-1.4118229321,0.2874076157,0.2874076157,GGA,Cmcm,A2B4C_oC28_63_f_acf_c:Bi-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Bi-O-Zn +mp-1041542,Zn(BiO2)2,-5.6433085707,-1.5393833257,0.1598472221,0.1598472221,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Bi-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Bi-O-Zn, expected Zn(BiO5)2 to be Zn(BiO2)2" +mp-1044686,Zn(BiO2)2,-5.6274339729000005,-1.5235087279,0.17572182,0.17572182,GGA,R3m,A2B4C_hR42_160_ab_2a2b_2a:Bi-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Bi-O-Zn +mp-1046891,Zn(BiO2)2,-5.6083628543,-1.5044376093,0.1947929386,0.1947929386,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Bi-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Bi-O-Zn +mp-2647153,Mn2Bi2O5,-7.36746576,-1.7298599377,0.0735804944,0.0735804944,GGA+U,P-1,A2B2C5_aP54_2_6i_6i_15i:Bi-Mn-O,54.0,A2B2C5_aP54_2_6i_6i_15i:Bi-Mn-O +mp-768709,Mn3BiO8,-7.5522338517,-1.6438967936000002,0.080393654,0.080393654,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Bi-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2c3h:Bi-Mn-O, expected Mn3BiO22 to be Mn3BiO8" +mp-773037,Mn3BiO8,-7.5728947258,-1.6645576678,0.0597327798,0.0597327798,GGA+U,P4_332,AB3C8_cP48_212_a_d_ce:Bi-Mn-O,48.0,"Invalid WP multiplicities - AB3C8_cP48_212_a_d_8c9e:Bi-Mn-O, expected Mn3BiO70 to be Mn3BiO8" +mp-28402,Zn(Bi3O5)4,-6.0165812727,-1.5838725638,0.0615077562,0.0615077562,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Zn,33.0,A12B20C_cI66_197_f_2cf_a:Bi-O-Zn +mp-1188529,Mn7BiO12,-8.30718732,-1.9404442845,0.0380739587,0.0380739587,GGA+U,Cm,AB7C12_mC40_8_a_3a2b_4a4b:Bi-Mn-O,20.0,AB7C12_mC40_8_a_3a2b_4a4b:Bi-Mn-O +mp-1189861,Mn7BiO12,-8.304254857,-1.9375118215,0.0410064217,0.0410064217,GGA+U,C2/m,AB7C12_mC40_12_a_bcdef_2i2j:Bi-Mn-O,20.0,AB7C12_mC40_12_a_bcdef_2i2j:Bi-Mn-O +mp-1186044,Mn7BiO12,-8.3040055385,-1.937262503,0.0412557402,0.0412557402,GGA+U,Im-3,AB7C12_cI40_204_a_bc_g:Bi-Mn-O,20.0,AB7C12_cI40_204_a_bc_g:Bi-Mn-O +mp-686183,Zn(Bi25O38)2,-6.1076028694,-1.6254568681,0.0388868597,0.0388868597,GGA,P1,A50B76C_aP127_1_50a_76a_a:Bi-O-Zn,127.0,A50B76C_aP127_1_50a_76a_a:Bi-O-Zn +mp-1207464,Zn2BiO6,-5.0437678094,-1.0393112964,0.2493023908,0.2493023908,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Bi-O-Zn,18.0,AB6C2_tP18_136_a_fj_e:Bi-O-Zn +mp-1041424,ZnBi4O9,-5.8345530611,-1.4672745946,0.0547681989,0.0547681989,GGA,P2/c,A4B9C_mP28_13_2g_e4g_f:Bi-O-Zn,28.0,"Invalid WP multiplicities - A4B9C_mP28_13_6g_e10g_f:Bi-O-Zn, expected Zn(Bi4O7)3 to be ZnBi4O9" +mp-685869,Zn(Bi19O30)2,-6.0929926061,-1.608147624,0.0402648388,0.0402648388,GGA,C2,A38B60C_mC396_5_38c_60c_c:Bi-O-Zn,198.0,"Invalid WP multiplicities - A38B60C_mC396_5_75c_119c_c:Bi-O-Zn, expected ZnBi75O119 to be Zn(Bi19O30)2" +mp-773918,Zn(Bi19O30)2,-6.1041257619,-1.6192807798,0.0291316829,0.0291316829,GGA,P3,A38B60C_hP99_143_ab12d_2a2b2c18d_c:Bi-O-Zn,99.0,"Invalid WP multiplicities - A38B60C_hP99_143_ab35d_2a2b2c48d_c:Bi-O-Zn, expected ZnBi107O150 to be Zn(Bi19O30)2" +mp-1198549,Mn16Bi16O45,-7.3958246449,-1.8030835701,0.0442128729,0.0442128729,GGA+U,I-43d,A16B16C45_cI308_220_ce_c2d_ad3e:Bi-Mn-O,154.0,A16B16C45_cI308_220_ce_c2d_ad3e:Bi-Mn-O +mp-1376731,ZnBi2O5,-5.5517212219,-1.3424505436,0.2132788081,0.2132788081,GGA,P1,A2B5C_aP16_1_4a_10a_2a:Bi-O-Zn,16.0,A2B5C_aP16_1_4a_10a_2a:Bi-O-Zn +mp-1043813,ZnBi2O5,-5.6570942672,-1.4478235889,0.1079057628,0.1079057628,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Bi-O-Zn,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_2e_15e_e:Bi-O-Zn, expected ZnBi2O15 to be ZnBi2O5" +mp-1042362,ZnBi2O5,-5.7356108384,-1.5263401602000002,0.0293891916,0.0293891916,GGA,Pbca,A2B5C_oP64_61_2c_5c_c:Bi-O-Zn,64.0,"Invalid WP multiplicities - A2B5C_oP64_61_2c_31c_c:Bi-O-Zn, expected ZnBi2O31 to be ZnBi2O5" +mp-1042979,ZnBi2O5,-5.6822424956,-1.4729718173,0.0827575344,0.0827575344,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Bi-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Bi-O-Zn +mp-504697,Mn2BiO5,-7.7546197722,-1.8923743634,0.0,-0.0633548669,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Bi-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Bi-Mn-O +mp-1278892,Mn2Bi3O7,-7.1110341333,-1.7383408873,0.0638380333,0.0638380333,GGA+U,P2_1,A3B2C7_mP24_4_3a_2a_7a:Bi-Mn-O,24.0,"Invalid WP multiplicities - A3B2C7_mP24_4_5a_3a_13a:Bi-Mn-O, expected Mn3Bi5O13 to be Mn2Bi3O7" +mp-1279939,Mn2Bi3O7,-7.1071160083,-1.7344227623,0.0677561583,0.0677561583,GGA+U,Cm,A3B2C7_mC48_8_2a2b_2b_2a6b:Bi-Mn-O,24.0,A3B2C7_mC48_8_2a2b_2b_2a6b:Bi-Mn-O +mp-1190266,Mn2Bi3O7,-7.1027467125,-1.7300534664,0.0721254542,0.0721254542,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Bi-Mn-O,24.0,A3B2C7_oC48_36_ab_b_a3b:Bi-Mn-O +mp-1210932,MnBi2O5,-6.7087370003,-1.5116823618000002,0.2401251353,0.2401251353,GGA+U,Pbam,A2BC5_oP32_55_eg_h_fghi:Bi-Mn-O,32.0,A2BC5_oP32_55_eg_h_fghi:Bi-Mn-O +mp-1048003,Zn(BiO2)4,-5.7871819885,-1.4644735408,0.1548631742,0.1548631742,GGA,P1,A4B8C_aP13_1_4a_8a_a:Bi-O-Zn,13.0,A4B8C_aP13_1_4a_8a_a:Bi-O-Zn +mp-1046252,Zn(BiO2)4,-5.7911449162,-1.4684364685,0.1509002465,0.1509002465,GGA,Cm,A4B8C_mC26_8_4a_8a_a:Bi-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Bi-O-Zn +mp-1043649,Zn(BiO2)4,-5.6337934569,-1.3110850092,0.3082517058,0.3082517058,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Bi-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Bi-O-Zn, expected Zn(Bi2O7)2 to be Zn(BiO2)4" +mp-1445003,Zn2Bi3O8,-5.5741910585,-1.4500014969,0.1238667708,0.1238667708,GGA,C2/m,A3B8C2_mC26_12_ah_2ij_i:Bi-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Bi-O-Zn +mp-1042511,Zn2Bi3O8,-5.5329116404,-1.4087220788,0.1651461888,0.1651461888,GGA,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Bi-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Bi-O-Zn, expected Zn2(BiO4)3 to be Zn2Bi3O8" +mp-505201,Mn(Bi3O5)4,-6.3115583848,-1.6393868977,0.0446184526,0.0446184526,GGA+U,I23,A12BC20_cI66_197_f_a_2cf:Bi-Mn-O,33.0,A12BC20_cI66_197_f_a_2cf:Bi-Mn-O +mp-643790,CeNiSnH,-5.3843034081,-0.6054224744000001,0.0,-0.0078225581,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Ce-H-Ni-Sn,16.0,ABCD_oP16_62_c_c_c_c:Ce-H-Ni-Sn +mp-542856,CeNiSnH2,-5.102924356,-0.6012744,0.0,-0.0682249897,GGA,P6_3/mmc,AB2CD_hP10_194_a_f_c_d:Ce-H-Ni-Sn,10.0,AB2CD_hP10_194_a_f_c_d:Ce-H-Ni-Sn +mp-1211404,La5Pb3Cl,-5.1698121722,-0.9846440172,0.0,-0.0702428722,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cl-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cl-La-Pb +mp-556523,LaPb6ClO7,-6.150787462,-1.9049709844,0.0,-0.008200276,GGA,C2/m,ABC7D6_mC60_12_g_e_3i2j_4ij:Cl-La-O-Pb,30.0,"Invalid WP multiplicities - ABC7D6_mC60_12_g_f_6i6j_7i3j:Cl-La-O-Pb, expected LaPb13ClO18 to be LaPb6ClO7" +mp-1213202,Er5(ReO6)2,-9.0153738958,-3.3791679508,0.0,-0.0348911983,GGA,C2/m,A5B12C2_mC38_12_a2i_2i2j_h:Er-O-Re,19.0,A5B12C2_mC38_12_a2i_2i2j_h:Er-O-Re +mp-1210594,NaEr(ReO5)4,-7.6564421387,-1.7102064822,0.3014135294,0.3014135294,GGA,P-4n2,ABC20D4_tP52_118_c_a_5i_i:Er-Na-O-Re,52.0,ABC20D4_tP52_118_c_a_5i_i:Er-Na-O-Re +mp-772838,Er(ReO4)3,-8.7461720784,-2.4173242722,0.0,-0.0724500999,GGA,R3c,AB12C3_hR96_161_a_4b_b:Er-O-Re,32.0,"Invalid WP multiplicities - AB12C3_hR96_161_a_18b_b:Er-O-Re, expected Er(ReO18)3 to be Er(ReO4)3" +mp-5586,NaErO2,-7.1367302369,-3.1908248554,0.0,-0.1150540194,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:Er-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_2e_4e_2f:Er-Na-O, expected Na2ErO2 to be NaErO2" +mp-11601,NaErO2,-7.1353228525,-3.189417471,0.0014073844,-0.113646635,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Na-O,4.0,ABC2_hR12_166_a_b_c:Er-Na-O +mp-1216167,Y2(CoNi)5,-6.6184873108,-0.1705527607,0.0763129942,0.0763129942,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Ni-Y,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Ni-Y, expected Y2Co7Ni5 to be Y2(CoNi)5" +mp-1219745,PrYNi4,-6.0712601833,-0.3432729186,0.0177492828,0.0177492828,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Pr-Y,6.0,A4BC_cF24_216_e_a_c:Ni-Pr-Y +mp-1215948,YCo3Ni2,-6.7435836367,-0.1849673269,0.0407792888,0.0407792888,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Ni-Y,6.0,A3B2C_hP6_191_g_c_a:Co-Ni-Y +mp-1216367,Y2CoNi5,-6.4616983146,-0.3439553869,0.0169747775,0.0169747775,GGA,R3m,AB5C2_hR72_160_3a_3a4b_6a:Co-Ni-Y,24.0,"Invalid WP multiplicities - AB5C2_hR72_160_3a_3a12b_6a:Co-Ni-Y, expected Y2CoNi13 to be Y2CoNi5" +mp-1216144,Y6CoNi,-6.6419601494,-0.181050005,0.0107199691,0.0107199691,GGA,Pmc2_1,ABC6_oP16_26_a_b_ab2c:Co-Ni-Y,16.0,"Invalid WP multiplicities - ABC6_oP16_26_a_b_ab3c:Co-Ni-Y, expected Y8CoNi to be Y6CoNi" +mp-1219772,PrYCo4,-6.6916261833,-0.0781848419,0.0359651951,0.0359651951,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Pr-Y,6.0,A4BC_cF24_216_e_a_c:Co-Pr-Y +mp-1215957,YCoNi,-6.73132495,-0.2796830872,0.0253063968,0.0253063968,GGA,Imma,ABC_oI12_74_a_c_e:Co-Ni-Y,6.0,ABC_oI12_74_a_c_e:Co-Ni-Y +mp-1219786,PrY(Co3Ni2)2,-6.5425975958,-0.124445066,0.0653955274,0.0653955274,GGA,Pmmm,A6B4CD_oP12_47_ehij_x_b_c:Co-Ni-Pr-Y,12.0,"Invalid WP multiplicities - A6B4CD_oP12_47_eh2ij_x_b_c:Co-Ni-Pr-Y, expected PrY(Co2Ni)4 to be PrY(Co3Ni2)2" +mp-757662,Mn3Fe5O12,-8.20563816,-1.7458173369,0.0770980763,0.0770980763,GGA+U,P1,A5B3C12_aP40_1_10a_6a_24a:Fe-Mn-O,40.0,A5B3C12_aP40_1_10a_6a_24a:Fe-Mn-O +mp-1354810,Mn3Fe5O12,-5.6846990198,0.7751218033,2.5980372165,2.5980372165,GGA+U,P1,A5B3C12_aP40_1_10a_6a_24a:Fe-Mn-O,40.0,A5B3C12_aP40_1_10a_6a_24a:Fe-Mn-O +mp-532236,Mn17Fe13O40,-8.4869924139,-1.8622483546,0.0495979924,0.0495979924,GGA+U,P-1,A13B17C40_aP70_2_acf5i_b8i_20i:Fe-Mn-O,70.0,"Invalid WP multiplicities - A13B17C40_aP70_2_acf10i_b15i_39i:Fe-Mn-O, expected Mn31Fe23O78 to be Mn17Fe13O40" +mp-1221814,MnFe5O8,-8.1229782807,-1.6168617784,0.1245237918,0.1245237918,GGA+U,R-3m,A5BC8_hR42_166_cd_a_ch:Fe-Mn-O,14.0,"Invalid WP multiplicities - A5BC8_hR42_166_cd_a_2c2h:Fe-Mn-O, expected MnFe5O16 to be MnFe5O8" +mp-755276,Mn5FeO12,-7.9920930794,-1.6787396236,0.0640275355,0.0640275355,GGA+U,C2/m,AB5C12_mC36_12_a_dgh_2i2j:Fe-Mn-O,18.0,"Invalid WP multiplicities - AB5C12_mC36_12_a_cg2h_4i5j:Fe-Mn-O, expected Mn7FeO28 to be Mn5FeO12" +mp-776272,Mn5FeO12,-7.9787615731,-1.6654081172,0.0773590418,0.0773590418,GGA+U,C2/c,AB5C12_mC72_15_a_c2f_6f:Fe-Mn-O,36.0,"Invalid WP multiplicities - AB5C12_mC72_15_c_2a6f_22f:Fe-Mn-O, expected Mn14FeO44 to be Mn5FeO12" +mp-769622,Mn9(FeO6)4,-8.0521342676,-1.6991950368,0.0807740703,0.0807740703,GGA+U,Cm,A4B9C24_mC74_8_2ab_5a2b_12a6b:Fe-Mn-O,37.0,A4B9C24_mC74_8_2ab_5a2b_12a6b:Fe-Mn-O +mp-753479,Mn3Fe3O8,-8.392642385,-1.7876695853,0.1027475436,0.1027475436,GGA+U,Imm2,A3B3C8_oI28_44_ac_bd_2c2d:Fe-Mn-O,14.0,"Invalid WP multiplicities - A3B3C8_oI28_44_a2c_b2d_4c4d:Fe-Mn-O, expected Mn5Fe5O16 to be Mn3Fe3O8" +mp-697842,Mn(FeO2)2,-8.3076299134,-1.7520852624,0.0847588209,0.0359571019,GGA+U,P1,A2BC4_aP70_1_20a_10a_40a:Fe-Mn-O,70.0,A2BC4_aP70_1_20a_10a_40a:Fe-Mn-O +mp-1274757,Mn(FeO2)2,-8.2362046293,-1.6806599783,0.156184105,0.1073823861,GGA+U,P-1,A2BC4_aP14_2_abcf_i_4i:Fe-Mn-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_abcf_i_8i:Fe-Mn-O, expected Mn(FeO4)2 to be Mn(FeO2)2" +mp-2224874,Mn(FeO2)2,-8.2118097293,-1.6562650783,0.180579005,0.1317772861,GGA+U,C2/m,A2BC4_mC28_12_ace_i_2ij:Fe-Mn-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_abce_i_8i:Fe-Mn-O, expected Mn(FeO4)2 to be Mn(FeO2)2" +mp-1192567,Mn(FeO2)2,-8.253589495,-1.698044844,0.1387992393,0.0899975204,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Fe-Mn-O,14.0,A2BC4_oC28_63_f_c_acf:Fe-Mn-O +mp-33708,Mn(FeO2)2,-8.2862192614,-1.7306746104,0.1061694729,0.0573677539,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Mn-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Fe-Mn-O, expected Mn(FeO5)2 to be Mn(FeO2)2" +mp-18750,Mn(FeO2)2,-8.3923887343,-1.8368440833,0.0,-0.0488017189,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Mn-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Mn-O +mp-758400,Mn5(FeO3)4,-8.4576813386,-1.8362324893,0.0720423214,0.0720423214,GGA+U,P1,A4B5C12_aP42_1_8a_10a_24a:Fe-Mn-O,42.0,A4B5C12_aP42_1_8a_10a_24a:Fe-Mn-O +mp-1222437,Mn5(FeO3)4,-8.4802060993,-1.85875725,0.0495175607,0.0495175607,GGA+U,P-1,A4B5C12_aP42_2_be3i_cd4i_12i:Fe-Mn-O,42.0,"Invalid WP multiplicities - A4B5C12_aP42_2_be4i_cd6i_24i:Fe-Mn-O, expected Mn7Fe5O24 to be Mn5(FeO3)4" +mp-1221795,MnFe4O5,-7.9318444,-1.1542900312,0.427931934,0.427931934,GGA+U,I4/m,A4BC5_tI20_87_h_a_bh:Fe-Mn-O,10.0,"Invalid WP multiplicities - A4BC5_tI20_87_h_a_b2h:Fe-Mn-O, expected MnFe4O9 to be MnFe4O5" +mp-757698,Mn23FeO32,-8.7651164207,-2.024216212,0.0135267921,0.0135267921,GGA+U,P-1,AB23C32_aP56_2_b_cdh10i_16i:Fe-Mn-O,56.0,"Invalid WP multiplicities - AB23C32_aP56_2_b_cdh19i_31i:Fe-Mn-O, expected Mn41FeO62 to be Mn23FeO32" +mp-704504,YbMn2O5,-7.9356015981,-2.3609662956,0.0062728472,0.0062728472,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Yb,,"Invalid WP multiplicities - A2B5C_oP32_55_3e3g_4f3g3h7i_h:Mn-O-Yb, expected YbMn6O24 to be YbMn2O5" +mp-771188,Mn13Fe3O32,-7.9632387633,-1.6546908219,0.080087465,0.080087465,GGA+U,C2/m,A3B13C32_mC96_12_ah_bfi2j_4i6j:Fe-Mn-O,48.0,"Invalid WP multiplicities - A3B13C32_mC96_12_ah_bei7j_8i14j:Fe-Mn-O, expected Mn11FeO24 to be Mn13Fe3O32" +mp-805897,Mn7Fe3O20,-7.0235125125,-0.7409143492,0.9507240283,0.9507240283,GGA+U,P-1,A3B7C20_aP60_2_ab2i_ce6i_20i:Fe-Mn-O,60.0,"Invalid WP multiplicities - A3B7C20_aP60_2_ab3i_ce8i_37i:Fe-Mn-O, expected Mn9Fe4O37 to be Mn7Fe3O20" +mp-777317,Mn7Fe3O20,-7.8637097302,-1.5811115669,0.1105268106,0.1105268106,GGA+U,C2/m,A3B7C20_mC120_12_ac2i_e2i2j_10i5j:Fe-Mn-O,60.0,"Invalid WP multiplicities - A3B7C20_mC120_12_ad3i_2e3i3j_19i13j:Fe-Mn-O, expected Mn11Fe4O45 to be Mn7Fe3O20" +mp-761315,MnFeO4,-7.7484440908,-1.5119788663,0.1029663389,0.1029663389,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Fe-Mn-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_3g:Fe-Mn-O, expected MnFeO6 to be MnFeO4" +mp-1221655,MnFeO4,-7.571250505,-1.3347852805,0.2801599247,0.2801599247,GGA+U,Imma,ABC4_oI24_74_e_a_hi:Fe-Mn-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_e_a_2h2i:Fe-Mn-O, expected MnFeO8 to be MnFeO4" +mp-753618,Mn9FeO10,-8.915176475,-1.8954241774,0.0347487565,0.0347487565,GGA+U,C2/m,AB9C10_mC40_12_a_d4i_5i:Fe-Mn-O,20.0,"Invalid WP multiplicities - AB9C10_mC40_12_a_c8i_7i:Fe-Mn-O, expected Mn17FeO14 to be Mn9FeO10" +mp-1221857,Mn4FeO5,-8.823344133,-1.8381915395,0.042299185,0.042299185,GGA+U,I4/mmm,AB4C5_tI20_139_a_2e_b2e:Fe-Mn-O,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:Fe-Mn-O, expected Mn6FeO7 to be Mn4FeO5" +mp-771261,Mn3FeO8,-7.9044306292,-1.6102992311,0.1005124394,0.1005124394,GGA+U,C2,AB3C8_mC96_5_abc_ab5c_16c:Fe-Mn-O,48.0,"Invalid WP multiplicities - AB3C8_mC96_5_abc_ab10c_32c:Fe-Mn-O, expected Mn11(FeO16)2 to be Mn3FeO8" +mp-1176616,Mn3FeO8,-7.9247223858,-1.6305909878,0.0802206828,0.0802206828,GGA+U,R-3m,AB3C8_hR36_166_a_e_ch:Fe-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_e_2c2h:Fe-Mn-O, expected Mn3FeO16 to be Mn3FeO8" +mp-756788,Mn3FeO8,-7.9377219058,-1.6435905078,0.0672211628,0.0672211628,GGA+U,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Fe-Mn-O,24.0,"Invalid WP multiplicities - AB3C8_hP24_186_b_c_a2b9c:Fe-Mn-O, expected Mn3FeO30 to be Mn3FeO8" +mp-752751,Mn2FeO6,-7.8392787911,-1.5643694509,0.1144867312,0.1144867312,GGA+U,P-1,AB2C6_aP36_2_cdi_be3i_12i:Fe-Mn-O,36.0,"Invalid WP multiplicities - AB2C6_aP36_2_cdi_be5i_24i:Fe-Mn-O, expected Mn3FeO12 to be Mn2FeO6" +mp-754962,Mn2FeO6,-7.8476134456,-1.5727041054000002,0.1061520767,0.1061520767,GGA+U,C2/m,AB2C6_mC18_12_a_i_3i:Fe-Mn-O,9.0,"Invalid WP multiplicities - AB2C6_mC18_12_a_i_5i:Fe-Mn-O, expected Mn2FeO10 to be Mn2FeO6" +mp-753787,Mn2FeO6,-7.8458596328,-1.5709502926,0.1079058895,0.1079058895,GGA+U,Cmce,AB2C6_oC36_64_a_d_fg:Fe-Mn-O,18.0,"Invalid WP multiplicities - AB2C6_oC36_64_a_d_2f3g:Fe-Mn-O, expected Mn2FeO16 to be Mn2FeO6" +mp-761563,Mn2FeO3,-8.7146323458,-1.7756126912,0.0386350875,0.0386350875,GGA+U,P2/m,AB2C3_mP12_10_m_aen_chmn:Fe-Mn-O,12.0,"Invalid WP multiplicities - AB2C3_mP12_10_m_ahn_cem2n:Fe-Mn-O, expected Mn2FeO4 to be Mn2FeO3" +mp-773198,Mn5Fe3O16,-7.818906345,-1.5536080337,0.1092704041,0.1092704041,GGA+U,Cm,A3B5C16_mC48_8_ab_3ab_8a4b:Fe-Mn-O,24.0,"Invalid WP multiplicities - A3B5C16_mC48_8_ab_3ab_8a6b:Fe-Mn-O, expected Mn5Fe3O20 to be Mn5Fe3O16" +mp-761716,MnFe2O3,-8.4385112608,-1.6148239532000002,0.0338164608,0.0338164608,GGA+U,Cmmm,A2BC3_oC24_65_acg_h_bdgh:Fe-Mn-O,12.0,"Invalid WP multiplicities - A2BC3_oC24_65_acg_h_bd2g2h:Fe-Mn-O, expected MnFe2O5 to be MnFe2O3" +mp-1221773,MnFe2O3,-8.15863806,-1.3349507524,0.3136896617,0.3136896617,GGA+U,Immm,A2BC3_oI12_71_e_a_cf:Fe-Mn-O,6.0,A2BC3_oI12_71_e_a_cf:Fe-Mn-O +mp-22518,YbMnO3,-7.811913688,-2.7035757468,0.0,-0.0887328815,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Yb,,AB3C_oP20_62_a_cd_c:Mn-O-Yb +mp-19356,YbMnO3,-7.603186602,-2.4948486608,0.208727086,0.1199942045,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mn-O-Yb,,AB3C_hP30_185_c_ab2c_ab:Mn-O-Yb +mp-762538,Mn13Fe11O32,-8.4679126504,-1.8505828134,0.0532275768,0.0532275768,GGA+U,P-1,A11B13C32_aP56_2_b5i_c6i_16i:Fe-Mn-O,56.0,"Invalid WP multiplicities - A11B13C32_aP56_2_b9i_c12i_32i:Fe-Mn-O, expected Mn25Fe19O64 to be Mn13Fe11O32" +mp-1333722,Mn13Fe11O32,-8.2673899611,-1.6500601242,0.2537502661,0.2537502661,GGA+U,P-1,A11B13C32_aP56_2_b5i_e6i_16i:Fe-Mn-O,56.0,"Invalid WP multiplicities - A11B13C32_aP56_2_b9i_e12i_32i:Fe-Mn-O, expected Mn25Fe19O64 to be Mn13Fe11O32" +mp-758522,Mn13Fe11O32,-8.4045903104,-1.7872604734,0.1165499168,0.1165499168,GGA+U,C2/m,A11B13C32_mC112_12_ai2j_d6i_8i4j:Fe-Mn-O,56.0,"Invalid WP multiplicities - A11B13C32_mC112_12_ai3j_c12i_16i8j:Fe-Mn-O, expected Mn25Fe15O64 to be Mn13Fe11O32" +mp-759744,MnFeO3,-8.2891069032,-1.7946863761,0.0665825984,0.0665825984,GGA+U,P1,ABC3_aP40_1_8a_8a_24a:Fe-Mn-O,40.0,ABC3_aP40_1_8a_8a_24a:Fe-Mn-O +mp-674482,MnFeO3,-8.3441286142,-1.8497080871,0.0115608874,0.0115608874,GGA+U,Ibca,ABC3_oI80_73_ac_de_3f:Fe-Mn-O,40.0,"Invalid WP multiplicities - ABC3_oI80_73_4a4c_2d3e_16f:Fe-Mn-O, expected Mn5(FeO4)8 to be MnFeO3" +mp-1207564,YbMnFeO5,-7.7064131713,-2.218277129,0.0051623157,0.0051623157,GGA+U,Pbam,ABC5D_oP32_55_g_e_fghi_h:Fe-Mn-O-Yb,,ABC5D_oP32_55_g_e_fghi_h:Fe-Mn-O-Yb +mp-1307551,Mn2FeO4,-8.5190051471,-1.8646041987,0.0793859757,0.0793859757,GGA+U,Cm,AB2C4_mC28_8_2a_2ab_4a2b:Fe-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_8_2a_2ab_4a4b:Fe-Mn-O, expected Mn2FeO6 to be Mn2FeO4" +mp-38856,Mn2FeO4,-8.58455862,-1.9301576716,0.0138325029,0.0138325029,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Fe-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2hi:Fe-Mn-O, expected Mn2FeO6 to be Mn2FeO4" +mp-1307341,Mn2FeO4,-8.45906011,-1.8046591616,0.1393310129,0.1393310129,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Fe-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Fe-Mn-O +mp-754642,Mn2FeO4,-8.5565663979,-1.9021654494,0.041824725,0.041824725,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Fe-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Fe-Mn-O +mp-706492,Mn19Fe17O48,-8.4442891631,-1.8310783386,0.0682676312,0.0682676312,GGA+U,C2/m,A17B19C48_mC168_12_aef2i2j_c9i_12i6j:Fe-Mn-O,84.0,"Invalid WP multiplicities - A17B19C48_mC168_12_a2ef4i5j_d17i_24i22j:Fe-Mn-O, expected Mn35Fe35O136 to be Mn19Fe17O48" +mp-1221648,MnFeO2,-8.3177909875,-1.4364375064,0.29500659,0.29500659,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Fe-Mn-O,4.0,ABC2_tP4_123_a_d_bc:Fe-Mn-O +mp-757061,Mn4FeO8,-8.3298186038,-1.8150807524,0.0925958152,0.0925958152,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Fe-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_b_acf_3i2j:Fe-Mn-O, expected Mn4FeO14 to be Mn4FeO8" +mp-1205352,BaPd(SeO3)2,-6.0790821265,-1.7020009292,0.0,-0.0088157255,GGA,C2/c,AB6CD2_mC40_15_e_3f_a_f:Ba-O-Pd-Se,20.0,AB6CD2_mC40_15_e_3f_c_f:Ba-O-Pd-Se +mp-1104211,BaPdO5,-5.2924478086,-0.7449763362,0.4997173577,0.4997173577,GGA,P2/c,AB5C_mP14_13_e_f2g_a:Ba-O-Pd,14.0,AB5C_mP14_13_e_f2g_a:Ba-O-Pd +mp-1182093,BaPdO5,-5.6040587479,-1.0565872755,0.1881064184,0.1881064184,GGA,P2/c,AB5C_mP14_13_f_e2g_a:Ba-O-Pd,14.0,AB5C_mP14_13_e_f2g_a:Ba-O-Pd +mp-1229286,Ba51(Pd12O5)2,-4.1426061046,-0.9467028988,0.0258674984,0.0258674984,GGA,P1,A51B10C24_aP85_1_51a_10a_24a:Ba-O-Pd,85.0,A51B10C24_aP85_1_51a_10a_24a:Ba-O-Pd +mp-29352,Ba2PdO3,-6.2588947217,-2.2825784177,0.0,-0.0619248467,GGA,Immm,A2B3C_oI12_71_e_ce_a:Ba-O-Pd,6.0,A2B3C_oI12_71_e_ce_a:Ba-O-Pd +mp-782050,Ba4PdO6,-6.2894324264,-2.4225311684,0.0,-0.0718810964,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ba-O-Pd,22.0,"Invalid WP multiplicities - A4B6C_hR66_167_a2e_f_b:Ba-O-Pd, expected Ba7PdO6 to be Ba4PdO6" +mp-1178510,BaPdO3,-6.073839014,-1.6860544373000002,0.0287006585,0.0287006585,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pd,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pd +mp-759541,Ba(PdO2)2,-6.0999888264,-1.5192040543,0.0,-0.0890330129,GGA,I4_1/a,AB4C2_tI28_88_a_f_d:Ba-O-Pd,14.0,AB4C2_tI28_88_a_f_d:Ba-O-Pd +mp-984876,Ba2Pd2O5,-6.09909176,-1.7734076426,0.0683929547,0.0683929547,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Ba-O-Pd,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Ba-O-Pd, expected Ba2Pd2O9 to be Ba2Pd2O5" +mp-16261,Ca(GeRh)2,-5.99639328,-0.8003390140000001,0.0,-0.2510196387,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Rh +mp-29273,Ca2Ge7O16,-6.9926795392,-2.3719029742,0.0,-0.018334625,GGA,P-4b2,A2B7C16_tP50_117_g_dgi_4i:Ca-Ge-O,50.0,"Invalid WP multiplicities - A2B7C16_tP50_117_g_dgi_7i:Ca-Ge-O, expected Ca2(GeO4)7 to be Ca2Ge7O16" +mp-1201179,Ca3Ge13Rh4,-5.2282765242,-0.4496068625,0.022898144,0.022898144,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:Ca-Ge-Rh,40.0,A3B13C4_cP40_223_c_ak_e:Ca-Ge-Rh +mp-17193,Ca3GeO,-4.822127465,-1.7048242238,8.2305e-05,-0.013798501,GGA,Imma,A3BC_oI20_74_eg_e_a:Ca-Ge-O,10.0,A3BC_oI20_74_eg_e_a:Ca-Ge-O +mp-9721,Ca3GeO,-4.82220977,-1.7049065288,0.0,-0.013880806,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-Ge-O,5.0,A3BC_cP5_221_c_a_b:Ca-Ge-O +mp-554678,CaGe2O5,-6.9984110044,-2.5002736111,0.0136952434,0.0136952434,GGA,P-1,AB2C5_aP16_2_i_abi_5i:Ca-Ge-O,16.0,"Invalid WP multiplicities - AB2C5_aP16_2_i_ab2i_8i:Ca-Ge-O, expected CaGe3O8 to be CaGe2O5" +mp-3707,CaGe2O5,-7.0062262319,-2.5080888386,0.0058800159,0.0058800159,GGA,C2/c,AB2C5_mC32_15_e_ae_e2f:Ca-Ge-O,16.0,"Invalid WP multiplicities - AB2C5_mC32_15_e_ce_e3f:Ca-Ge-O, expected CaGe2O7 to be CaGe2O5" +mp-4279,CaGe2O5,-7.0067573409,-2.5086199477,0.0053489068,0.0053489068,GGA,Pbam,AB2C5_oP32_55_g_eh_fghi:Ca-Ge-O,32.0,AB2C5_oP32_55_g_eh_fghi:Ca-Ge-O +mp-1214274,Ca3Ge3(RhO6)2,-7.0390013094,-2.3402631354,0.0,-0.0027484863,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Rh,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Rh +mp-1019564,Ca6Ge2O,-3.9846741911,-1.0706360021,0.0811806844,0.0811806844,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Ca-Ge-O,9.0,A6B2C_cF36_225_e_c_a:Ca-Ge-O +mp-1197278,Ca5(GeO5)2,-6.8209467182,-2.7773618816,0.0753201806,0.0753201806,GGA,P2_1/c,A5B2C10_mP34_14_a2e_e_5e:Ca-Ge-O,34.0,A5B2C10_mP34_14_a2e_e_5e:Ca-Ge-O +mp-560647,Ca2GeO4,-7.0510953521,-2.9909550007,0.0,-0.0417001471,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ca-Ge-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_ac_c_8c5d:Ca-Ge-O, expected Ca2GeO18 to be Ca2GeO4" +mp-13650,Ca2GeO4,-6.9047348929000005,-2.8445945414,0.1463604593,0.1046603121,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Ca-Ge-O,7.0,A2BC4_tI14_139_e_a_ce:Ca-Ge-O +mp-1019561,Ca2GeO4,-6.8619557629,-2.8018154114,0.1891395893,0.1474394421,GGA,P-3m1,A2BC4_hP14_164_abd_d_di:Ca-Ge-O,14.0,A2BC4_hP14_164_abd_d_di:Ca-Ge-O +mp-774105,Ca5Ge3O11,-7.0332473492,-2.9116337287,0.0161081985,0.0161081985,GGA,P-1,A5B3C11_aP38_2_5i_3i_11i:Ca-Ge-O,38.0,"Invalid WP multiplicities - A5B3C11_aP38_2_9i_5i_21i:Ca-Ge-O, expected Ca9Ge5O21 to be Ca5Ge3O11" +mp-1203676,Ca4Ge3O11,-6.8297246388,-2.5905546994,0.1007863129,0.1007863129,GGA,Ama2,A4B3C11_oC144_40_2a2b2c_3c_2b10c:Ca-Ge-O,72.0,A4B3C11_oC144_40_2a2b2c_3c_2b10c:Ca-Ge-O +mp-776086,CaGeO3,-7.0235725677,-2.7298337939,0.0209115277,0.0038758452,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Ca-Ge-O,30.0,"Invalid WP multiplicities - ABC3_aP30_2_5i_5i_17i:Ca-Ge-O, expected Ca5Ge5O17 to be CaGeO3" +mp-17761,CaGeO3,-7.0444840953,-2.7507453216,0.0,-0.0170356825,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Ca-Ge-O,30.0,ABC3_aP30_2_3i_3i_9i:Ca-Ge-O +mp-776074,CaGeO3,-7.0144126663,-2.7206738926,0.030071429,0.0130357465,GGA,C2/c,ABC3_mC60_15_cf_ef_e4f:Ca-Ge-O,30.0,"Invalid WP multiplicities - ABC3_mC60_15_2af_2e3f_2e15f:Ca-Ge-O, expected Ca(GeO4)2 to be CaGeO3" +mp-8130,CaGeO3,-6.9371081895,-2.6433694158,0.1073759058,0.0903402233,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Ge-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Ge-O +mp-554549,CaGeO3,-7.0300776136,-2.7363388399,0.0144064817,-0.0026292008,GGA,I4_1/a,ABC3_tI160_88_cef_abdf_6f:Ca-Ge-O,80.0,"Invalid WP multiplicities - ABC3_tI160_88_3c4e4f_ab3d5f_40f:Ca-Ge-O, expected Ca15(Ge7O40)2 to be CaGeO3" +mp-1016884,CaGeO3,-6.873712094,-2.5799733202,0.1707720013,0.1537363188,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Ge-O,5.0,ABC3_cP5_221_a_b_c:Ca-Ge-O +mp-18027,BaC10,-8.3931062635,0.1710419061,0.2243370202,0.2243370202,GGA,Im-3,AB10_cI132_204_e_g2h:Ba-C,66.0,AB10_cI132_204_e_g2h:Ba-C +mp-1214417,BaC6,-8.26817345,-0.083749465,0.0,-0.083749465,GGA,P6_3/mmc,AB6_hP14_194_c_i:Ba-C,14.0,AB6_hP14_194_c_i:Ba-C +mp-10293,BaC2,-6.7104049733,0.0816970017,0.1468354744,0.1468354744,GGA,C2/c,AB2_mC12_15_e_f:Ba-C,6.0,AB2_mC12_15_e_f:Ba-C +mp-1192077,BaC2,-6.3790679,0.413034075,0.4781725478,0.4781725478,GGA,Pnma,AB2_oP24_62_2c_2cd:Ba-C,24.0,AB2_oP24_62_2c_2cd:Ba-C +mp-1227975,BaC2,-3.3771745533,3.4149274217,3.4800658944,3.4800658944,GGA,P4/mmm,AB2_tP3_123_a_bc:Ba-C,3.0,AB2_tP3_123_a_bc:Ba-C +mp-1735,BaC2,-6.6974582,0.094643775,0.1597822478,0.1597822478,GGA,I4/mmm,AB2_tI6_139_a_e:Ba-C,3.0,AB2_tI6_139_a_e:Ba-C +mp-1018141,BaC2,-6.6160166067,0.1760853683,0.2412238411,0.2412238411,GGA,R-3m,AB2_hR9_166_a_c:Ba-C,3.0,AB2_hR9_166_a_c:Ba-C +mp-1147570,BaNiC4Br,-6.4682708529,0.1269865643,0.7338603839000001,0.7338603839000001,GGA,P4/mmm,ABC4D_tP7_123_c_a_m_b:Ba-Br-C-Ni,7.0,ABC4D_tP7_123_c_a_m_b:Ba-Br-C-Ni +mp-28979,BaC20,-8.6473639276,0.2332210624,0.2611375507,0.2611375507,GGA,Pm-3n,AB20_cP126_223_c_k2l:Ba-C,126.0,AB20_cP126_223_c_k2l:Ba-C +mp-997616,BaC,-4.18051307,1.3933071462,1.4421610008,1.4421610008,GGA,Fm-3m,AB_cF8_225_a_b:Ba-C,2.0,AB_cF8_225_a_b:Ba-C +mp-1196684,Tm2Fe3Si5,-6.8106677232,-0.6618352606,0.0,-0.0610817397,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Tm,40.0,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Tm +mp-12838,Tm3FeSi3,-6.1761664157,-0.7228119057,0.0,-0.0004636921,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Fe-Si-Tm,14.0,AB3C3_mC28_12_i_3i_3i:Fe-Si-Tm +mp-1191478,Tm2Fe17C3,-8.2993617591,-0.0889968548,0.0006427166,0.0001499867,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Tm,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Tm +mp-1208084,Tm2Fe17C3,-8.3000044757,-0.0896395714,0.0,-0.0004927299,GGA,P6_3/mmc,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Tm,44.0,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Tm +mp-1206971,Tm2FeSi2,-6.352918594,-0.6984529707,0.0,-0.0048403853,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Si-Tm,10.0,AB2C2_mC20_12_i_2i_2i:Fe-Si-Tm +mp-1189640,Tm5Si3C,-5.9318322478,-0.6114103923,0.0307481058,0.0307481058,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Tm,18.0,AB3C5_hP18_193_b_g_dg:C-Si-Tm +mp-1205538,TmFe2SiC,-7.742511408,-0.5285391348,0.0,-0.0505650598,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Tm,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Tm +mp-7085,Tm2FeC4,-8.0796699493,-0.3173336598,0.0,-0.0691129478,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Tm,14.0,A4BC2_oI28_72_2j_a_j:C-Fe-Tm +mp-1217051,Tm4Fe34C3,-8.194234719,-0.0583796139,0.0183902822,0.0183902822,GGA,P-1,A3B34C4_aP41_2_ci_ab16i_2i:C-Fe-Tm,41.0,"Invalid WP multiplicities - A3B34C4_aP41_2_ci_ab30i_4i:C-Fe-Tm, expected Tm8Fe62C3 to be Tm4Fe34C3" +mp-1207959,Tm3Fe2Si3,-6.4985010275,-0.66806318,0.0,-0.0092314847,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Tm,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Tm +mp-2938,Tm(FeSi)2,-7.104594238,-0.6512914573,0.0,-0.0703455019,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Tm +mp-1216603,Tm2FeSi4,-6.1526929129,-0.5636980305,0.0527663357,0.0527663357,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Tm,7.0,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Tm +mp-570414,Tm2Fe14C,-8.1295090343,-0.0847659002,0.0,-0.0102623031,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Tm,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_3c4e15j22k_3f3g:C-Fe-Tm, expected Tm6Fe125C to be Tm2Fe14C" +mp-1200417,Tm2Fe15Si2,-7.8223032871,-0.0932177578,0.1022222689,0.1022222689,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Fe-Si-Tm,38.0,A15B2C2_hP38_194_gjk_f_bc:Fe-Si-Tm +mp-9211,Tm2Fe2Si2C,-7.2501079386,-0.6828201073,0.0,-0.0818389193,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tm,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tm +mp-1104799,Tm(Fe2Si)2,-7.4829594321,-0.453451386,0.0117567979,0.0117567979,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Si-Tm,14.0,A4B2C_tP14_136_i_f_a:Fe-Si-Tm +mp-1206511,Cs2ZrI6,-3.6759660322,-1.5449989795,0.0,-0.0577803948,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Zr,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Zr +mp-540609,CsMnI3,-4.061614498,-1.1661111552,0.0022094363,0.0022094363,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-I-Mn,10.0,AB3C_hP10_194_c_h_a:Cs-I-Mn +mp-540822,Cs3Zr2I9,-3.85812316,-1.497987051,0.0,-0.00056877,GGA,P6_3/mmc,A3B9C2_hP28_194_bf_hk_f:Cs-I-Zr,28.0,A3B9C2_hP28_194_bf_hk_f:Cs-I-Zr +mp-504805,Cs(Zr3I7)2,-4.6705804848,-1.2034978632,0.0540225595,0.0540225595,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:Cs-I-Zr,42.0,AB14C6_oC84_64_a_def2g_fg:Cs-I-Zr +mp-569118,Cs3MnI5,-3.588776875,-1.4537708574,0.0,-0.0233727539,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Cs-I-Mn,18.0,"Invalid WP multiplicities - A3B5C_tI36_140_2a3h_2c2l_b:Cs-I-Mn, expected Cs8MnI10 to be Cs3MnI5" +mp-570192,CsZr6MnI14,-4.9707832716,-1.2448400741,0.0,-0.0392670216,GGA,Cmce,AB14CD6_oC88_64_a_def2g_b_fg:Cs-I-Mn-Zr,44.0,"Invalid WP multiplicities - AB14CD6_oC88_64_a_3d4e3f13g_b_3f3g:Cs-I-Mn-Zr, expected CsZr18MnI72 to be CsZr6MnI14" +mp-9770,Ag8GeS6,-3.8066509735,-0.3331726346,0.0,-0.0082819928,GGA,Pna2_1,A8BC6_oP60_33_8a_a_6a:Ag-Ge-S,60.0,"Invalid WP multiplicities - A8BC6_oP60_33_11a_a_6a:Ag-Ge-S, expected Ag11GeS6 to be Ag8GeS6" +mp-567574,DyAgGe,-4.6756797211,-0.6548894883,0.0,-0.0751302733,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Dy-Ge,9.0,ABC_hP9_189_f_g_bc:Ag-Dy-Ge +mp-21045,DyAgGe,-4.4373296611,-0.4165394283,0.23835006,0.1632197867,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Dy-Ge,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Ag-Dy-Ge, expected Dy3Ag5Ge3 to be DyAgGe" +mp-1225417,Dy6Ag(GeS7)2,-5.962891673,-1.7181251126,0.0216399137,0.0216399137,GGA,P3,AB6C2D14_hP23_143_c_2d_ab_ab4d:Ag-Dy-Ge-S,23.0,AB6C2D14_hP23_143_c_2d_ab_ab4d:Ag-Dy-Ge-S +mp-1226206,Dy12Ge5S28,-6.0964220491,-1.7804847685,0.0209289943,0.0209289943,GGA,P1,A12B5C28_aP45_1_12a_5a_28a:Dy-Ge-S,45.0,A12B5C28_aP45_1_12a_5a_28a:Dy-Ge-S +mp-9900,Ag2GeS3,-4.2538433142,-0.4709284038,0.0,-0.0136976339,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ag-Ge-S,12.0,A2BC3_oC24_36_b_a_ab:Ag-Ge-S +mp-35512,Dy5AgS8,-6.3194769814,-2.1081849001,0.0323752212,0.0323752212,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Dy-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_4g:Ag-Dy-S, expected Dy9AgS16 to be Dy5AgS8" +mp-29531,CsBi3S5,-4.5366962589,-0.8590163593,0.0,-0.0475350594,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:Bi-Cs-S,36.0,A3BC5_oP36_62_3c_c_5c:Bi-Cs-S +mp-1077053,CsMnBi,-4.61679745,0.015838148,0.2746339886,0.2746339886,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-Cs-Mn,6.0,ABC_tP6_129_c_c_a:Bi-Cs-Mn +mp-1095372,MnBi4S7,-5.1438448592,-0.6872514525,0.0,-0.0003817221,GGA,C2/m,A4BC7_mC24_12_2i_a_d3i:Bi-Mn-S,12.0,A4BC7_mC24_12_2i_a_c3i:Bi-Mn-S +mp-1226192,Cs2Mn3S4,-6.0779141333,-0.986508568,0.0339460206,0.0097419694,GGA,C222,A2B3C4_oC18_21_k_abc_l:Cs-Mn-S,9.0,A2B3C4_oC18_21_k_abc_l:Cs-Mn-S +mp-2884,Cs2Mn3S4,-6.1118601539,-1.0204545886,0.0,-0.0242040511,GGA,Ibam,A2B3C4_oI36_72_j_af_k:Cs-Mn-S,18.0,A2B3C4_oI36_72_j_af_k:Cs-Mn-S +mp-556529,Cs2MnBi2S5,-4.9372416247,-1.0056368617,0.0,-0.0433541364,GGA,Pnma,A2B2CD5_oP40_62_2c_2c_c_5c:Bi-Cs-Mn-S,40.0,"Invalid WP multiplicities - A2B2CD5_oP40_62_6c_5c_c_16c:Bi-Cs-Mn-S, expected Cs5Mn(Bi3S8)2 to be Cs2MnBi2S5" +mp-541378,CsBiS2,-4.2483014112,-0.9961036023,0.0,-0.0686741506,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Bi-Cs-S,16.0,ABC2_mP16_14_e_e_2e:Bi-Cs-S +mp-505034,Cs2MnS2,-4.996554047,-1.151410093,0.0,-0.0884556867,GGA,Ibam,A2BC2_oI20_72_j_a_j:Cs-Mn-S,10.0,A2BC2_oI20_72_j_a_j:Cs-Mn-S +mp-8751,RbLiS,-3.6872065267,-1.3452375913,0.0,-0.0128196167,GGA,P4/nmm,ABC_tP6_129_a_c_c:Li-Rb-S,6.0,ABC_tP6_129_a_c_c:Li-Rb-S +mp-1222716,Li(TaS2)2,-7.50003539,-1.4757100194,0.0208887643,0.0208887643,GGA,P-3m1,AB4C2_hP7_164_a_2d_c:Li-S-Ta,7.0,AB4C2_hP7_164_a_2d_c:Li-S-Ta +mp-556085,Rb2LiTaS4,-5.5497545878,-1.5155585742,0.0,-0.024222189,GGA,P-1,AB2C4D_aP32_2_2i_4i_8i_2i:Li-Rb-S-Ta,32.0,"Invalid WP multiplicities - AB2C4D_aP32_2_3i_8i_15i_3i:Li-Rb-S-Ta, expected Rb8Li3(TaS5)3 to be Rb2LiTaS4" +mp-1206881,LiTaS2,-7.0357548763,-1.5258548186,0.0,-0.0402147777,GGA,P6_3/mmc,AB2C_hP8_194_a_f_b:Li-S-Ta,8.0,AB2C_hP8_194_a_f_b:Li-S-Ta +mp-1209490,Rb2LiS2,-2.558949122,-0.1303709729,1.1407471523,1.1407471523,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Li-Rb-S,5.0,AB2C2_tP5_123_a_g_g:Li-Rb-S +mp-755664,Li2(TaS2)3,-7.3646248391,-1.5273632187,0.0,-0.0334187268,GGA,P6_322,A2B6C3_hP22_182_bc_i_af:Li-S-Ta,22.0,A2B6C3_hP22_182_bc_i_af:Li-S-Ta +mp-581739,Cs5Mo21Se23,-7.2862755178,-0.9058341268,0.0,-0.0008690141,GGA,P6_3/m,A5B21C23_hP98_176_aef_h3i_fh3i:Cs-Mo-Se,98.0,"Invalid WP multiplicities - A5B21C23_hP98_176_2a2e4f_6h27i_4f6h23i:Cs-Mo-Se, expected Cs7(Mo45Se41)2 to be Cs5Mo21Se23" +mp-583278,Cs3Mo15Se17,-7.3118140493,-0.8889153668,0.0074440528,0.0074440528,GGA,P6_3/m,A3B15C17_hP70_176_ce_h2i_fh2i:Cs-Mo-Se,70.0,"Invalid WP multiplicities - A3B15C17_hP70_176_ce_5h11i_3f6h20i:Cs-Mo-Se, expected Cs(Mo9Se16)3 to be Cs3Mo15Se17" +mp-18353,Cs2Mo3SeO12,-7.3693695906,-1.970262308,0.0,-0.0108796536,GGA+U,P6_3,A2B3C12D_hP36_173_2b_c_4c_a:Cs-Mo-O-Se,36.0,A2B3C12D_hP36_173_2b_c_4c_a:Cs-Mo-O-Se +mp-866654,Cs2MoSe4,-4.9418026814000005,-1.1389311436,0.0,-0.0632133329,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-Se,28.0,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-Se +mp-1104663,Cs(MoSe)3,-7.2026024371,-0.928304275,0.0,-0.0542305674,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cs-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:Cs-Mo-Se +mp-1229156,Cs3(SeO4)2,-5.3825106254,-1.5939306437,0.0052672123,0.0044575031,GGA,C2,A3B8C2_mC26_5_ac_4c_c:Cs-O-Se,13.0,"Invalid WP multiplicities - A3B8C2_mC26_5_ac_7c_c:Cs-O-Se, expected Cs3(SeO7)2 to be Cs3(SeO4)2" +mp-1214772,Cs3(SeO4)2,-5.3877778377,-1.599197856,0.0,-0.0008097092,GGA,C2/m,A3B8C2_mC26_12_ai_2ij_i:Cs-O-Se,13.0,A3B8C2_mC26_12_ai_2ij_i:Cs-O-Se +mp-1189389,Cs(SeO3)2,-5.2958818106,-1.1217309667,0.1786828172,0.1786828172,GGA,P-1,AB6C2_aP18_2_i_6i_2i:Cs-O-Se,18.0,AB6C2_aP18_2_i_6i_2i:Cs-O-Se +mp-562442,Cs2SeO4,-5.3903859529,-1.8084615147,0.0,-0.2605501664,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-Se,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_3c_8c4d_c:Cs-O-Se, expected Cs3SeO16 to be Cs2SeO4" +mp-1193050,CsSeO4,-5.3379742858,-1.30829617,0.0455911709,0.0455911709,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-O-Se,24.0,AB4C_mP24_14_e_4e_e:Cs-O-Se +mp-1102197,CsSeO4,-5.3422670058,-1.31258889,0.0412984509,0.0412984509,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Cs-O-Se,12.0,AB4C_tI24_141_a_h_b:Cs-O-Se +mp-5883,CsMo6Se7,-7.3359510543,-0.8759022417000001,0.0121668091,0.0121668091,GGA,R-3,AB6C7_hR84_148_c_2f_c2f:Cs-Mo-Se,28.0,"Invalid WP multiplicities - AB6C7_hR84_148_c_4f_c2f:Cs-Mo-Se, expected CsMo12Se7 to be CsMo6Se7" +mp-1197288,Cs(SeO3)3,-5.4062058638,-1.1059493095,0.0697525416,0.0697525416,GGA,P2_1/c,AB9C3_mP52_14_e_9e_3e:Cs-O-Se,52.0,AB9C3_mP52_14_e_9e_3e:Cs-O-Se +mp-4100,Ca4IrO6,-6.9682992745,-2.7373023684,0.0221065136,0.0221065136,GGA,R-3c,A4BC6_hR66_167_ae_b_f:Ca-Ir-O,22.0,"Invalid WP multiplicities - A4BC6_hR66_167_a2e_b_f:Ca-Ir-O, expected Ca7IrO6 to be Ca4IrO6" +mp-555735,CaIrO3,-7.215037713,-2.0782176742,0.024495219,0.001489164,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Ir-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c3d:Ca-Ir-O, expected CaIrO9 to be CaIrO3" +mp-20198,CaIrO3,-6.585585473,-1.4487654343,0.6539474590000001,0.6309414040000001,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ca-Ir-O,10.0,ABC3_oC20_63_c_a_cf:Ca-Ir-O +mp-4243,CaIrO3,-7.239532932,-2.1027128933,0.0,-0.023006055,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ca-Ir-O,10.0,ABC3_oC20_63_c_a_cf:Ca-Ir-O +mp-1079054,CaIrO3,-6.91619666,-1.7793766213,0.323336272,0.300330217,GGA,Cmcm,ABC3_oC20_63_c_a_cf:Ca-Ir-O,10.0,ABC3_oC20_63_c_a_cf:Ca-Ir-O +mp-1016872,CaIrO3,-6.932980098,-1.7961600593,0.306552834,0.283546779,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Ir-O,5.0,ABC3_cP5_221_a_b_c:Ca-Ir-O +mp-1227404,Ca2IrRhO6,-7.096355161,-2.1069477532,0.0,-0.00868147,GGA,C2/m,A2BC6D_mC20_12_i_a_3i_c:Ca-Ir-O-Rh,10.0,A2BC6D_mC20_12_i_a_3i_d:Ca-Ir-O-Rh +mp-540806,Ca2IrO4,-7.0823071881,-2.4199659331,0.0267305733,0.0267305733,GGA,P-62m,A2BC4_hP21_189_adg_f_2gj:Ca-Ir-O,21.0,A2BC4_hP21_189_adg_f_2gj:Ca-Ir-O +mp-1110877,K3TbCl6,-4.328902472,-2.4232241819,0.065657326,0.065657326,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Tb,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Tb +mp-1185123,K3Tb,-1.4051982625,0.5861924728,0.5861924728,0.5861924728,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Tb,4.0,A3B_tI8_139_ad_b:K-Tb +mp-1185125,K3Tb,-1.412153805,0.5792369302,0.5792369302,0.5792369302,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Tb,8.0,A3B_hP8_194_h_c:K-Tb +mp-1185073,K3Tb,-1.395909855,0.5954808802,0.5954808802,0.5954808802,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Tb,4.0,A3B_cF16_225_ac_b:K-Tb +mp-1111622,K2NaTbCl6,-4.351365791,-2.4244748663,0.034683109,0.034683109,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tb +mp-1211737,K2TbCl5,-4.5587742362,-2.5465433245,0.0,-0.0272726452,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Tb,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-Tb +mp-1211526,KTb2Cl7,-5.0077813188,-2.675892542,0.0,-0.023051913,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-K-Tb,40.0,A7BC2_mP40_14_7e_e_2e:Cl-K-Tb +mp-20584,RbEuS2,-6.65243711,-1.7748282084,0.0088694529,0.0088694529,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-Rb-S,4.0,ABC2_hR12_166_a_b_c:Eu-Rb-S +mp-1219610,RbEuGeS4,-6.0055433636,-1.3760629071,0.0259768712,0.0259768712,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Eu-Ge-Rb-S,14.0,ABCD4_mP14_4_a_a_a_4a:Eu-Ge-Rb-S +mp-12271,MgSeO3,-6.018788838,-2.0315373057,0.0,-0.0111529315,GGA,Pnma,AB3C_oP20_62_a_cd_c:Mg-O-Se,20.0,AB3C_oP20_62_a_cd_c:Mg-O-Se +mp-1222123,Mg2ZnO3,-5.8025952233,-2.585866916,0.04733837,0.04733837,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Mg-O-Zn,6.0,A2B3C_hP6_164_d_ad_b:Mg-O-Zn +mp-16771,MgSe2O5,-5.9276637131,-1.7619703929,0.0,-0.0591376631,GGA,Pbcn,AB5C2_oP32_60_c_c2d_d:Mg-O-Se,32.0,AB5C2_oP32_60_c_c2d_d:Mg-O-Se +mp-1102637,MgSeO9,-4.9517112855,-0.4411303828,0.5814825708,0.5814825708,GGA,R3,AB9C_hR33_146_a_3b_a:Mg-O-Se,11.0,AB9C_hR33_146_a_3b_a:Mg-O-Se +mp-1221905,MgZnO2,-5.58084123,-2.3924909594,0.03029682,0.03029682,GGA,P3m1,AB2C_hP4_156_a_ab_b:Mg-O-Zn,4.0,AB2C_hP4_156_a_ab_b:Mg-O-Zn +mp-1221939,MgZnO2,-5.540902395,-2.3525521244,0.070235655,0.070235655,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-O-Zn,4.0,AB2C_hR12_166_a_c_b:Mg-O-Zn +mp-1210610,MgZn7O8,-5.0676242362,-1.9431245481,0.0062238412,0.0062238412,GGA,P3m1,AB8C7_hP16_156_a_ab2d_b2d:Mg-O-Zn,16.0,"Invalid WP multiplicities - AB8C7_hP16_156_a_ab2d_b4d:Mg-O-Zn, expected MgZn13O8 to be MgZn7O8" +mp-1185612,MgZnO3,-4.774701934,-1.2346839753,0.7035462482,0.7035462482,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Zn,5.0,AB3C_cP5_221_a_c_b:Mg-O-Zn +mp-560670,MgSeO4,-6.0219481437,-1.874790415,0.0,-0.1818426602,GGA,Pnma,AB4C_oP24_62_a_2cd_c:Mg-O-Se,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_7c6d_c:Mg-O-Se, expected MgSeO19 to be MgSeO4" +mp-12630,MgSeO4,-6.0202711317,-1.8731134029,0.0016770121,-0.1801656481,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Mg-O-Se,12.0,AB4C_oC24_63_a_fg_c:Mg-O-Se +mp-1221958,MgZn3O4,-5.239637345,-2.0938541294,0.01330739,0.01330739,GGA,Cm,AB4C3_mC16_8_a_4a_3a:Mg-O-Zn,8.0,AB4C3_mC16_8_a_4a_3a:Mg-O-Zn +mp-1233738,MgZn4(Se2O5)4,-5.4483549742,-1.4016785944,0.0943746507,0.0943746507,GGA,P1,AB20C8D4_aP33_1_a_20a_8a_4a:Mg-O-Se-Zn,33.0,AB20C8D4_aP33_1_a_20a_8a_4a:Mg-O-Se-Zn +mp-1234141,MgZn4(Se2O5)4,-5.4382773245,-1.3916009447,0.1044523004,0.1044523004,GGA,P1,AB20C8D4_aP33_1_a_20a_8a_4a:Mg-O-Se-Zn,33.0,AB20C8D4_aP33_1_a_20a_8a_4a:Mg-O-Se-Zn +mp-1234597,MgZn4(Se2O5)4,-5.3746292615,-1.3279528816,0.1681003635,0.1681003635,GGA,P2,AB20C8D4_mP33_3_a_abcd8e_4e_abcd:Mg-O-Se-Zn,33.0,"Invalid WP multiplicities - AB20C8D4_mP33_3_a_abcd12e_6e_abcd:Mg-O-Se-Zn, expected MgZn4(Se3O7)4 to be MgZn4(Se2O5)4" +mp-1221986,MgZn4O5,-5.1685959105,-2.0313261059,0.0127101615,0.0127101615,GGA,P3m1,AB5C4_hP20_156_2a_5a5b_3a5b:Mg-O-Zn,20.0,AB5C4_hP20_156_2a_5a5b_3a5b:Mg-O-Zn +mp-1210605,MgSeO5,-5.572729885,-1.3113534444,0.2956097684,0.2956097684,GGA,C2/c,AB5C_mC28_15_c_e2f_e:Mg-O-Se,14.0,AB5C_mC28_15_a_e2f_e:Mg-O-Se +mp-1221931,MgZn2O3,-5.27654147,-2.116569236,0.0958010367,0.0958010367,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Mg-O-Zn,6.0,AB3C2_hP6_164_a_bd_d:Mg-O-Zn +mp-753315,Mg3ZnO4,-5.936252095,-2.7053347694000003,0.03307927,0.03307927,GGA,Cmmm,A3B4C_oC16_65_af_gj_b:Mg-O-Zn,8.0,"Invalid WP multiplicities - A3B4C_oC16_65_af_2gj_b:Mg-O-Zn, expected Mg3ZnO6 to be Mg3ZnO4" +mp-1222124,Mg3ZnO4,-5.9348612537,-2.7039439281,0.0344701113,0.0344701113,GGA,P4/mmm,A3B4C_tP8_123_ah_cdg_b:Mg-O-Zn,8.0,"Invalid WP multiplicities - A3B4C_tP8_123_a2h_cd2g_b:Mg-O-Zn, expected Mg5ZnO6 to be Mg3ZnO4" +mp-1222142,Mg3ZnO4,-5.9333234563,-2.7024061306,0.0360079087,0.0360079087,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Mg-O-Zn,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_a2c_3c_b:Mg-O-Zn, expected Mg5ZnO6 to be Mg3ZnO4" +mp-1024045,Mg3ZnO4,-5.9368204075,-2.7059030819,0.0325109575,0.0325109575,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Zn,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Zn, expected Mg3ZnO7 to be Mg3ZnO4" +mp-1372851,Mg3Bi2O7,-6.0881825692,-2.1624626201,0.1093922656,0.1093922656,GGA,Cmc2_1,A2B3C7_oC48_36_b_ab_a3b:Bi-Mg-O,24.0,"Invalid WP multiplicities - A2B3C7_oC48_36_b_ab_a4b:Bi-Mg-O, expected Mg3Bi2O9 to be Mg3Bi2O7" +mp-1041365,MgBi4O9,-6.0563316211,-1.6647291231,0.0484218956,0.0484218956,GGA,P2/c,A4BC9_mP28_13_2g_e_f4g:Bi-Mg-O,28.0,"Invalid WP multiplicities - A4BC9_mP28_13_6g_e_f10g:Bi-Mg-O, expected Mg(Bi4O7)3 to be MgBi4O9" +mp-1411405,Mg2Bi3O8,-5.9402713277,-1.7636915446,0.2073227973,0.2073227973,GGA,C2/m,A3B2C8_mC26_12_ah_i_2ij:Bi-Mg-O,13.0,A3B2C8_mC26_12_ah_i_2ij:Bi-Mg-O +mp-1042429,Mg2Bi3O8,-5.9965505231,-1.81997074,0.1510436019,0.1510436019,GGA,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Bi-Mg-O,26.0,"Invalid WP multiplicities - A3B2C8_hP26_186_c_2b_a2b3c:Bi-Mg-O, expected Mg2(BiO4)3 to be Mg2Bi3O8" +mp-1185882,MgHgO3,-4.313778648,-0.9649733383,0.5121185677,0.5121185677,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Hg-Mg-O,5.0,ABC3_cP5_221_a_b_c:Hg-Mg-O +mp-1096230,Mg2HgBi,-0.954359015,0.8818233838,1.0797322125,1.0797322125,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Mg,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Mg +mp-1376863,MgBiO3,-6.0475375975,-1.9913705348,0.1240472682,0.1240472682,GGA,Pnma,ABC3_oP20_62_a_c_cd:Bi-Mg-O,20.0,ABC3_oP20_62_a_c_cd:Bi-Mg-O +mp-1185847,MgBiO3,-5.71506759,-1.6589005273,0.4565172757,0.4565172757,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Mg-O,5.0,ABC3_cP5_221_a_b_c:Bi-Mg-O +mp-2224741,Mg(BiO2)2,-5.9741058171,-1.8215325093,0.2384137643,0.2384137643,GGA,P-1,A2BC4_aP7_2_i_a_2i:Bi-Mg-O,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_i_a_3i:Bi-Mg-O, expected Mg(BiO3)2 to be Mg(BiO2)2" +mp-1324558,Mg(BiO2)2,-6.0723945943,-1.9198212864,0.1401249871,0.1401249871,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Bi-Mg-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Bi-Mg-O, expected Mg4Bi11O24 to be Mg(BiO2)2" +mp-1333835,Mg(BiO2)2,-6.0830529219,-1.930479614,0.1294666595,0.1294666595,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Bi-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Bi-Mg-O, expected Mg(BiO2)3 to be Mg(BiO2)2" +mp-2224248,Mg(BiO2)2,-6.0344586343,-1.8818853264,0.1780609471,0.1780609471,GGA,Cm,A2BC4_mC14_8_2a_a_4a:Bi-Mg-O,7.0,A2BC4_mC14_8_2a_a_4a:Bi-Mg-O +mp-1042238,Mg(BiO2)2,-6.1658642164,-2.0132909086,0.046655365,0.046655365,GGA,C2/m,A2BC4_mC28_12_2i_i_4i:Bi-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Bi-Mg-O, expected MgBi3O7 to be Mg(BiO2)2" +mp-1047543,Mg(BiO2)2,-5.9809866854,-1.8284133775,0.2315328961,0.2315328961,GGA,Pbcm,A2BC4_oP28_57_e_d_cde:Bi-Mg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Bi-Mg-O, expected Mg(BiO8)2 to be Mg(BiO2)2" +mp-1041727,Mg(BiO2)2,-5.8744088382,-1.7218355304,0.3381107432,0.3381107432,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Bi-Mg-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Bi-Mg-O +mp-1377201,Mg(BiO2)2,-6.0049874893,-1.8524141814,0.2075320921,0.2075320921,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Mg-O,28.0,A2BC4_oP28_62_2c_c_4c:Bi-Mg-O +mp-1047375,Mg(BiO2)2,-5.9374938529,-1.784920545,0.2750257286,0.2750257286,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Bi-Mg-O,14.0,A2BC4_oC28_63_f_c_acf:Bi-Mg-O +mp-1047792,Mg(BiO2)2,-6.08661099,-1.9340376821,0.1259085914,0.1259085914,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Bi-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Bi-Mg-O, expected Mg(BiO5)2 to be Mg(BiO2)2" +mp-1044582,Mg(BiO2)2,-6.0319608314,-1.8793875236,0.18055875,0.18055875,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Bi-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Bi-Mg-O, expected Mg2(BiO2)9 to be Mg(BiO2)2" +mp-1044814,Mg(BiO2)2,-6.0408025074,-1.8882291995,0.171717074,0.171717074,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Bi-Mg-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Bi-Mg-O, expected Mg2Bi8O15 to be Mg(BiO2)2" +mp-1044669,Mg(BiO2)2,-6.044453925,-1.8918806171,0.1680656564,0.1680656564,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Bi-Mg-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Bi-Mg-O +mp-1046883,Mg(BiO2)2,-6.0193230629,-1.866749755,0.1931965186,0.1931965186,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Bi-Mg-O,14.0,A2BC4_cF56_227_c_b_e:Bi-Mg-O +mp-1099246,Mg3BiO4,-5.6541413887,-2.1006308731,0.5362136562,0.5362136562,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Bi-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Bi-Mg-O, expected Mg3BiO7 to be Mg3BiO4" +mp-1043868,MgBi3O7,-5.9780315968,-1.6372526497000002,0.1368478818,0.1368478818,GGA,Pnma,A3BC7_oP44_62_cd_c_c3d:Bi-Mg-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_c2d_c_c3d:Bi-Mg-O, expected MgBi5O7 to be MgBi3O7" +mp-2240382,MgHg2(BiO3)2,-5.0239180355,-1.4267588257,0.1163667905,0.1163667905,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Hg-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Hg-Mg-O +mp-2240231,MgHg2(BiO3)2,-5.0448786982,-1.4477194884,0.0954061277,0.0954061277,GGA,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Bi-Hg-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_hR33_146_2a_2a_a_4b:Bi-Hg-Mg-O, expected MgHg2(BiO6)2 to be MgHg2(BiO3)2" +mp-778408,HgBiO3,-4.901532607,-1.1046854813,0.0370667345,0.0370667345,GGA,R-3c,ABC3_hR30_167_b_a_e:Bi-Hg-O,10.0,ABC3_hR30_167_b_a_e:Bi-Hg-O +mp-1048779,Mg(BiO3)2,-5.9269367244,-1.5978933269,0.1191982639,0.0655338835,GGA,Pmn2_1,A2BC6_oP18_31_b_a_2a2b:Bi-Mg-O,18.0,"Invalid WP multiplicities - A2BC6_oP18_31_b_a_2a3b:Bi-Mg-O, expected Mg(BiO4)2 to be Mg(BiO3)2" +mp-28447,Mg(BiO3)2,-6.0461349883,-1.7170915908,0.0,-0.0536643804,GGA,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Bi-Mg-O,18.0,"Invalid WP multiplicities - A2BC6_tP18_136_e_a_f2j:Bi-Mg-O, expected Mg(BiO5)2 to be Mg(BiO3)2" +mp-2231424,MgHg2(BiO3)4,-5.3032771105,-1.2543370139,0.1599443795,0.1599443795,GGA,P1,A4B2CD12_aP19_1_4a_2a_a_12a:Bi-Hg-Mg-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:Bi-Hg-Mg-O +mp-2230539,MgHg2(BiO3)4,-5.3480079568,-1.2990678603,0.1152135332,0.1152135332,GGA,P2,A4B2CD12_mP19_3_2b2c_bc_a_6e:Bi-Hg-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mP19_3_2a2b_ab_c_12e:Bi-Hg-Mg-O, expected MgHg2(BiO6)4 to be MgHg2(BiO3)4" +mp-2230976,MgHg2(BiO3)4,-5.31394988,-1.2650097834,0.14927161,0.14927161,GGA,Pm,A4B2CD12_mP19_6_2c_ab_a_2a2b4c:Bi-Hg-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_oC38_38_2c_ab_a_2b2c2d2f:Bi-Hg-Mg-O, expected MgHg2(Bi2O9)2 to be MgHg2(BiO3)4" +mp-2230808,MgHg2(BiO3)4,-5.3200350279,-1.2710949313,0.1431864621,0.1431864621,GGA,P-4,A4B2CD12_tP19_81_2g_g_a_3h:Bi-Hg-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_tP19_81_4g_g_a_10h:Bi-Hg-Mg-O, expected MgHg2(BiO5)8 to be MgHg2(BiO3)4" +mp-1411380,MgBi2O5,-5.9890999056,-1.7372621723,0.1435000065,0.1435000065,GGA,P1,A2BC5_aP16_1_4a_2a_10a:Bi-Mg-O,16.0,A2BC5_aP16_1_4a_2a_10a:Bi-Mg-O +mp-1043716,MgBi2O5,-6.0368495191,-1.7850117858,0.095750393,0.095750393,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Bi-Mg-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_2e_e_15e:Bi-Mg-O, expected MgBi2O15 to be MgBi2O5" +mp-1042428,MgBi2O5,-6.1039950984,-1.8521573652,0.0286048136,0.0286048136,GGA,Pbca,A2BC5_oP64_61_2c_c_5c:Bi-Mg-O,64.0,"Invalid WP multiplicities - A2BC5_oP64_61_2c_c_31c:Bi-Mg-O, expected MgBi2O31 to be MgBi2O5" +mp-1042977,MgBi2O5,-6.069021675,-1.8171839417,0.0635782371,0.0635782371,GGA,Cmcm,A2BC5_oC32_63_f_c_c2f:Bi-Mg-O,16.0,A2BC5_oC32_63_f_c_c2f:Bi-Mg-O +mp-2233708,Mg(BiO2)4,-5.9352146838,-1.5863111254,0.2272571342,0.2272571342,GGA,P1,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O +mp-2227842,Mg(BiO2)4,-6.0570456708,-1.7081421123,0.1054261473,0.1054261473,GGA,P1,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O +mp-2224812,Mg(BiO2)4,-6.0734415662,-1.7245380077,0.0890302519,0.0890302519,GGA,P1,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O,13.0,A4BC8_aP13_1_4a_a_8a:Bi-Mg-O +mp-2226761,Mg(BiO2)4,-6.1011596054,-1.7522560469,0.0613122127,0.0613122127,GGA,P-1,A4BC8_aP13_2_afi_c_4i:Bi-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_aP13_2_afi_c_7i:Bi-Mg-O, expected Mg(Bi2O7)2 to be Mg(BiO2)4" +mp-2227126,Mg(BiO2)4,-5.9655989369,-1.6166953785,0.1968728812,0.1968728812,GGA,Pm,A4BC8_mP13_6_2c_a_ab3c:Bi-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mP13_6_4c_a_ab4c:Bi-Mg-O, expected Mg(Bi4O5)2 to be Mg(BiO2)4" +mp-1046232,Mg(BiO2)4,-6.0153153354,-1.6664117769,0.1471564827,0.1471564827,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O +mp-1048014,Mg(BiO2)4,-6.0369031223,-1.6879995638,0.1255686958,0.1255686958,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O +mp-2233790,Mg(BiO2)4,-6.0020329185,-1.65312936,0.1604388996,0.1604388996,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O +mp-2227686,Mg(BiO2)4,-5.9707570923,-1.6218535338,0.1917147258,0.1917147258,GGA,Cm,A4BC8_mC26_8_2ab_a_4a2b:Bi-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_8_2a2b_a_4a4b:Bi-Mg-O, expected Mg(BiO2)6 to be Mg(BiO2)4" +mp-2233567,Mg(BiO2)4,-5.9513701908000005,-1.6024666323,0.2111016273,0.2111016273,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O +mp-2233917,Mg(BiO2)4,-5.9507097992,-1.6018062408,0.2117620188,0.2117620188,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Mg-O +mp-2233563,Mg(BiO2)4,-5.9159411377,-1.5670375792,0.2465306804,0.2465306804,GGA,Imm2,A4BC8_oI26_44_cd_a_2c2d:Bi-Mg-O,13.0,A4BC8_cF52_216_e_a_2e:Bi-Mg-O +mp-1043618,Mg(BiO2)4,-5.86007404,-1.5111704815,0.3023977781,0.3023977781,GGA,R-3m,A4BC8_hR39_166_bd_a_ch:Bi-Mg-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Bi-Mg-O, expected Mg(Bi2O7)2 to be Mg(BiO2)4" +mp-675509,Mg4(BiO2)9,-6.0255419197,-1.8318025915,0.1764837759,0.1764837759,GGA,P1,A9B4C18_aP31_1_9a_4a_18a:Bi-Mg-O,31.0,A9B4C18_aP31_1_9a_4a_18a:Bi-Mg-O +mp-1345555,Mg2Bi2O5,-5.798062895,-1.8408426821,0.440013375,0.440013375,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Bi-Mg-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Bi-Mg-O, expected MgBiO6 to be Mg2Bi2O5" +mp-2232651,Mg(Bi2O5)2,-5.936146374,-1.5075381285,0.113567779,0.113567779,GGA,Amm2,A4BC10_oC30_38_2c_a_ab4c:Bi-Mg-O,15.0,"Invalid WP multiplicities - A4BC10_oC30_38_3c_a_ab8c:Bi-Mg-O, expected Mg(BiO3)6 to be Mg(Bi2O5)2" +mp-2228723,Mg(Bi2O5)2,-5.8484038333,-1.4197955878,0.2013103197,0.2013103197,GGA,Amm2,A4BC10_oC30_38_2c_a_ab4c:Bi-Mg-O,15.0,"Invalid WP multiplicities - A4BC10_oC30_38_3c_a_ab8c:Bi-Mg-O, expected Mg(BiO3)6 to be Mg(Bi2O5)2" +mp-755853,Hg(BiO3)2,-5.2974400989,-1.1124633331,0.0142192476,0.0142192476,GGA,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Bi-Hg-O,18.0,"Invalid WP multiplicities - A2BC6_tP18_136_e_a_2f3j:Bi-Hg-O, expected Hg(BiO8)2 to be Hg(BiO3)2" +mp-27421,RbBiF6,-4.5744781188,-2.5382409928,0.0,-0.2004631369,GGA,R-3,AB6C_hR24_148_a_f_b:Bi-F-Rb,8.0,AB6C_hR24_148_a_f_b:Bi-F-Rb +mp-1209295,RbBi3F10,-5.115968945,-2.8576267209,0.0,-0.0356856173,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Bi-F-Rb,28.0,A3B10C_cF112_225_e_fh_c:Bi-F-Rb +mp-1209655,Rb2BiF5,-4.8190301281,-2.8991611141,0.0,-0.0278055589,GGA,Pnma,AB5C2_oP32_62_c_a2cd_2c:Bi-F-Rb,32.0,AB5C2_oP32_62_c_a2cd_2c:Bi-F-Rb +mp-675881,RbBiF4,-4.845565535,-2.7677423562,0.112036041,0.112036041,GGA,P1,AB4C_aP18_1_3a_12a_3a:Bi-F-Rb,18.0,AB4C_aP18_1_3a_12a_3a:Bi-F-Rb +mp-615746,RbBiF4,-4.9017987733,-2.8239755946,0.0558028027,0.0558028027,GGA,Fd-3m,AB4C_cF96_227_c_abf_d:Bi-F-Rb,24.0,"Invalid WP multiplicities - AB4C_cF96_227_c_2a2b4f_d:Bi-F-Rb, expected RbBiF14 to be RbBiF4" +mp-677028,RbBiF3,-4.658075654,-2.546983633,0.1511469867,0.1511469867,GGA,P1,AB3C_aP10_1_2a_6a_2a:Bi-F-Rb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Bi-F-Rb, expected RbBiF5 to be RbBiF3" +mp-1173046,RbBiF3,-4.424616943,-2.313524922,0.3846056977,0.3846056977,GGA,P4/nmm,AB3C_tP10_129_c_af_c:Bi-F-Rb,10.0,"Invalid WP multiplicities - AB3C_tP10_129_c_a2f_c:Bi-F-Rb, expected RbBiF5 to be RbBiF3" +mp-28965,AgBi2F12,-4.2514605073,-2.0213750491,0.0,-0.0141246691,GGA,P-1,AB2C12_aP15_2_a_i_6i:Ag-Bi-F,15.0,"Invalid WP multiplicities - AB2C12_aP15_2_a_i_7i:Ag-Bi-F, expected AgBi2F14 to be AgBi2F12" +mp-1110790,Rb2AgBiF6,-4.559808619,-2.5495099107,0.0166272525,0.0166272525,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-F-Rb +mp-1237338,Rb3BiF6,-4.648050713,-2.8229541977,0.0712823885,0.0712823885,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:Bi-F-Rb,10.0,AB6C3_aP10_2_a_3i_bcd:Bi-F-Rb +mp-1209619,Rb3BiF6,-4.659548743,-2.8344522277,0.0597843585,0.0597843585,GGA,R-3m,AB6C3_hR30_166_a_h_d:Bi-F-Rb,10.0,"Invalid WP multiplicities - AB6C3_mC20_12_c_ij_b2e:Bi-F-Rb, expected Rb5BiF6 to be Rb3BiF6" +mp-1113922,Rb3BiF6,-4.700296144,-2.8751996287,0.0190369575,0.0190369575,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Bi-F-Rb +mp-675214,Rb2Bi3F11,-4.9292555094,-2.7724552483,0.0976317906,0.0976317906,GGA,P1,A3B11C2_aP16_1_3a_11a_2a:Bi-F-Rb,16.0,A3B11C2_aP16_1_3a_11a_2a:Bi-F-Rb +mp-1105793,Mg2B2AsIr5,-6.9704483715,-0.4293850768,0.0,-0.0235731248,GGA,P4/mbm,AB2C5D2_tP20_127_a_g_cj_g:As-B-Ir-Mg,20.0,AB2C5D2_tP20_127_a_g_cj_g:As-B-Ir-Mg +mp-16544,Mg4As6Ir7,-6.1116087071,-0.4513222429,0.0,-0.0068499377,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:As-Ir-Mg,17.0,A6B7C4_cI34_229_e_ad_c:As-Ir-Mg +mp-1208987,Sc2MnB2Ir5,-8.564408330500001,-0.6266175361,0.0594047733,0.0594047733,GGA,P4/mbm,A2B5CD2_tP20_127_g_cj_a_g:B-Ir-Mn-Sc,20.0,A2B5CD2_tP20_127_g_cj_a_g:B-Ir-Mn-Sc +mp-1185313,LiAlO3,-6.204398784,-2.1054858179,0.370750387,0.370750387,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Li-O,5.0,ABC3_cP5_221_b_a_c:Al-Li-O +mp-7535,Li5AlO4,-5.801112556,-2.4934180552000003,0.0032938424,-0.0227971967,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Al-Li-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_bg_2ef:Al-Li-O, expected Li5AlO6 to be Li5AlO4" +mp-15960,Li5AlO4,-5.8044063984,-2.4967118975,0.0,-0.0260910391,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Al-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_8c_7c:Al-Li-O, expected Li8AlO7 to be Li5AlO4" +mp-976331,LiLuO3,-6.447261758,-2.1932738539,0.5373579508,0.5373579508,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Li-Lu-O,5.0,ABC3_cP5_221_b_a_c:Li-Lu-O +mp-768573,Lu3AlO6,-8.631999588,-3.9331436222,0.0322419665,0.0322419665,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Al-Lu-O,20.0,"Invalid WP multiplicities - AB3C6_oC40_36_a_a2b_3a4b:Al-Lu-O, expected Lu5AlO11 to be Lu3AlO6" +mp-756742,Lu3AlO6,-8.636763279,-3.9379073132,0.0274782755,0.0274782755,GGA,R-3,AB3C6_hR60_148_ab_f_2f:Al-Lu-O,20.0,"Invalid WP multiplicities - AB3C6_hR60_148_ab_f_7f:Al-Lu-O, expected Lu3AlO21 to be Lu3AlO6" +mp-14132,Lu3Al5O12,-8.3087511534,-3.7262013911,0.0,-0.030700115,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Lu-O,80.0,A5B3C12_cI160_230_ad_c_h:Al-Lu-O +mp-755574,LuAlO3,-8.4062154035,-3.7848969068,0.0210325503,0.0210325503,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-Lu-O, expected LuAlO7 to be LuAlO3" +mp-756850,LuAlO3,-8.3289355873,-3.7076170906,0.0983123664,0.0983123664,GGA,Cmcm,ABC3_oC60_63_cg_ae_cfgh:Al-Lu-O,30.0,"Invalid WP multiplicities - ABC3_oC60_63_cg_ae_2cf2gh:Al-Lu-O, expected LuAlO4 to be LuAlO3" +mp-754435,LuAlO3,-8.345041552,-3.7237230552,0.0822064018,0.0822064018,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-Lu-O,10.0,ABC3_hR30_167_b_a_e:Al-Lu-O +mp-755358,LuAlO3,-8.365620775,-3.7443022782,0.0616271788,0.0616271788,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Al-Lu-O,10.0,"Invalid WP multiplicities - ABC3_hP10_194_c_a_b2f:Al-Lu-O, expected LuAlO5 to be LuAlO3" +mp-1185485,LuAlO3,-8.171755614,-3.5504371172,0.2554923398,0.2554923398,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Lu-O,5.0,ABC3_cP5_221_b_a_c:Al-Lu-O +mp-973058,LiLu2Al,-3.8727711225,-0.1986711883,0.0055921857,0.0055921857,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Lu,4.0,ABC2_cF16_225_a_b_c:Al-Li-Lu +mp-780406,Lu4Al2O9,-8.5488368055,-3.8758266628,0.0364068821,0.0364068821,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Lu-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_3e_13e_35e:Al-Lu-O, expected Lu13Al3O35 to be Lu4Al2O9" +mp-780420,Lu4Al2O9,-8.5526710118,-3.8796608691,0.0325726758,0.0325726758,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Lu-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_7e_11e_35e:Al-Lu-O, expected Lu11Al7O35 to be Lu4Al2O9" +mp-1176675,LiLuO2,-7.4605358006,-3.3797230983,0.0068701156,-0.0284387686,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Li-Lu-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:Li-Lu-O, expected LiLuO3 to be LiLuO2" +mp-754605,LiLuO2,-7.4674059162,-3.386593214,0.0,-0.0353088842,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Lu-O,8.0,ABC2_tI16_141_a_b_e:Li-Lu-O +mp-754537,LiLuO2,-7.3990529175,-3.3182402152,0.0683529988,0.0330441145,GGA,R-3m,ABC2_hR12_166_a_b_c:Li-Lu-O,4.0,ABC2_hR12_166_a_b_c:Li-Lu-O +mp-1236720,LiLu2Al2O6,-7.6799130145,-3.3051759387,0.2194522171,0.2194522171,GGA,P3m1,A2BC2D6_hP11_156_ab_a_2c_2a2b2c:Al-Li-Lu-O,11.0,A2BC2D6_hP11_156_ab_a_2c_2a2b2c:Al-Li-Lu-O +mp-530399,LiAl5O8,-7.652068448,-3.3513318976,0.0,-0.0222447293,GGA,P4_332,A5BC8_cP56_212_cd_a_ce:Al-Li-O,56.0,"Invalid WP multiplicities - A5BC8_cP56_212_4c4d_a_8c7e:Al-Li-O, expected LiAl20O58 to be LiAl5O8" +mp-3427,LiAlO2,-6.9704881581,-3.0835191283,0.0,-0.0882788974,GGA,P4_12_12,ABC2_tP16_92_a_a_b:Al-Li-O,16.0,ABC2_tP16_92_a_a_b:Al-Li-O +mp-34993,LiAlO2,-6.8817469571,-2.9947779273,0.088741201,0.0004623036,GGA,P-4m2,ABC2_tP48_115_acef3g_bdef3g_3e3f6g:Al-Li-O,48.0,"Invalid WP multiplicities - ABC2_tP48_115_ac2e2f6g_bd2e2f6g_6e6f12g:Al-Li-O, expected Li11Al11O24 to be LiAlO2" +mp-8001,LiAlO2,-6.9547554625,-3.0677864327,0.0157326956,-0.0725462018,GGA,R-3m,ABC2_hR12_166_a_b_c:Al-Li-O,4.0,ABC2_hR12_166_a_b_c:Al-Li-O +mp-21989,Ca3Sc2(GeO4)3,-7.7015086423,-3.1059543448,0.0,-0.0491563423,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sc,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sc +mp-27576,Sc2GeO5,-8.5583697571,-3.3056935544,0.0,-0.0334186193,GGA,C2/c,AB5C2_mC96_15_ef_e7f_3f:Ge-O-Sc,48.0,"Invalid WP multiplicities - AB5C2_mC96_15_ef_e8f_3f:Ge-O-Sc, expected Sc6Ge3O17 to be Sc2GeO5" +mp-757450,Sc2Ge2O7,-8.0951576159,-2.9553562615,0.0154902498,0.0154902498,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ge-O-Sc,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2af_c:Ge-O-Sc, expected ScGeO4 to be Sc2Ge2O7" +mp-1219147,Sm6Cd(SiS7)2,-6.1547633239,-1.8940963341,0.0,-0.0095300337,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Cd-S-Si-Sm,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Cd-S-Si-Sm +mp-35281,Sm2CdS4,-5.6915946986,-1.8479001989,0.0955528111,0.0955528111,GGA,I-42d,AB4C2_tI28_122_a_e_d:Cd-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Cd-S-Sm +mp-557561,Sm6Si4S17,-6.2213969619,-1.7646400483,0.0,-5.2464e-06,GGA,P-1,A17B4C6_aP54_2_17i_4i_6i:S-Si-Sm,54.0,"Invalid WP multiplicities - A17B4C6_aP54_2_34i_7i_12i:S-Si-Sm, expected Sm12Si7S34 to be Sm6Si4S17" +mp-18179,Cd4SiS6,-3.9971665532,-0.9121141649,0.0064890373,0.0064890373,GGA,Cc,A4B6C_mC44_9_4a_6a_a:Cd-S-Si,22.0,A4B6C_mC44_9_4a_6a_a:Cd-S-Si +mp-1196898,Sm4(SiS4)3,-6.1791282961,-1.7166179259,0.0083729337,0.0083729337,GGA,R3c,A12B3C4_hR114_161_4b_b_ab:S-Si-Sm,38.0,A12B3C4_hR114_161_4b_b_ab:S-Si-Sm +mp-1219893,Pr2MnRhO6,-8.271851045,-2.695024351,0.0160953665,0.0160953665,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mn-O-Pr-Rh,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Mn-O-Pr-Rh, expected Pr2MnRhO10 to be Pr2MnRhO6" +mp-4789,PrRhO3,-7.872002894,-2.4749469423,0.0,-0.0581056129,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Pr-Rh,20.0,A3BC_oP20_62_cd_c_a:O-Pr-Rh +mp-1191615,La3BeGaS7,-6.1153259892,-1.9044360499,0.0819508978,0.0819508978,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Ga-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Ga-La-S +mp-1211398,La3BeGaS7,-6.1181954337,-1.9073054945,0.0790814532,0.0790814532,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Be-Ga-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Be-Ga-La-S +mp-4816,LaGaS3,-5.8243718327,-1.749681287,0.0,-0.012777416,GGA,P2_1/c,ABC3_mP60_14_3e_3e_9e:Ga-La-S,60.0,"Invalid WP multiplicities - ABC3_mP60_14_3e_3e_12e:Ga-La-S, expected LaGaS4 to be LaGaS3" +mp-1201646,LaGaS3,-5.8196360462,-1.7449455005,0.0047357865,-0.0080416295,GGA,Pna2_1,ABC3_oP60_33_3a_3a_9a:Ga-La-S,60.0,ABC3_oP60_33_3a_3a_9a:Ga-La-S +mp-1224774,La9Ga5S21,-6.1413679217,-1.9576538857,0.0047941473,0.0047941473,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-La-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-La-S, expected La24Ga5S51 to be La9Ga5S21" +mp-554359,Cs2Si3SnO9,-7.3121888943,-2.8724202883,0.0,-0.0618235785,GGA,P2_12_12_1,A2B9C3D_oP60_19_2a_9a_3a_a:Cs-O-Si-Sn,60.0,"Invalid WP multiplicities - A2B9C3D_oP60_19_3a_34a_6a_a:Cs-O-Si-Sn, expected Cs3Si6SnO34 to be Cs2Si3SnO9" +mp-1142992,Si2SnO6,-7.7653004822,-2.8163737953,0.0650909978,0.0650909978,GGA,C2/c,A6B2C_mC36_15_3f_f_e:O-Si-Sn,18.0,A6B2C_mC36_15_3f_f_e:O-Si-Sn +mp-1041773,Si2SnO6,-7.6906200626,-2.7416933757,0.1397714174,0.1397714174,GGA,Pbca,A6B2C_oP72_61_6c_2c_c:O-Si-Sn,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_41c_8c_c:O-Si-Sn, expected Si8SnO41 to be Si2SnO6" +mp-556100,Si(Sn3O4)2,-6.552622309,-1.948871719,0.0090055383,0.0090055383,GGA,P6_3mc,A8BC6_hP30_186_2b2c_b_2c:O-Si-Sn,30.0,"Invalid WP multiplicities - A8BC6_hP30_186_3b10c_b_7c:O-Si-Sn, expected Si(Sn7O11)3 to be Si(Sn3O4)2" +mp-776110,SiSnO3,-7.4420375818,-2.5870463781,0.0259082952,0.0259082952,GGA,P2/c,A3BC_mP60_13_af8g_3g_3g:O-Si-Sn,60.0,"Invalid WP multiplicities - A3BC_mP60_13_2a2f32g_11g_11g:O-Si-Sn, expected Si11Sn11O34 to be SiSnO3" +mp-978493,SiSnO3,-6.9816874040000005,-2.1266962003,0.486258473,0.486258473,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Sn,5.0,A3BC_cP5_221_c_b_a:O-Si-Sn +mp-1043403,Si4SnO10,-7.8584736157,-2.8466248765,0.189466835,0.189466835,GGA,P4/ncc,A10B4C_tP60_130_f2g_g_c:O-Si-Sn,60.0,"Invalid WP multiplicities - A10B4C_tP60_130_f5g_g_c:O-Si-Sn, expected Si4SnO22 to be Si4SnO10" +mp-1142770,SiSnO4,-7.1985009287,-2.3282268071,0.3599543379,0.3599543379,GGA,Ia-3d,A4BC_cI144_230_h_d_c:O-Si-Sn,72.0,A4BC_cI144_230_h_d_c:O-Si-Sn +mp-769046,Si2Sn2O7,-7.4313899561,-2.5680626153,0.0864728917,0.0864728917,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Si-Sn,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_27i_7i_7i:O-Si-Sn, expected Si7Sn7O27 to be Si2Sn2O7" +mp-1213624,Ga2(MoO4)3,-7.7956126271,-2.0336475147,0.0,-0.006876086,GGA+U,P2_1/c,A2B3C12_mP136_14_4e_6e_24e:Ga-Mo-O,136.0,A2B3C12_mP136_14_4e_6e_24e:Ga-Mo-O +mp-1224232,La12Ga23MoO56,-7.3336637576,-2.8038973259,0.0164158488,0.0164158488,GGA+U,P1,A23B12CD56_aP92_1_23a_12a_a_56a:Ga-La-Mo-O,92.0,A23B12CD56_aP92_1_23a_12a_a_56a:Ga-La-Mo-O +mp-1204258,La(Ga5Mo)8,-4.4985692492,-0.1552009046,0.0160584562,0.0160584562,GGA,R-3,A40BC8_hR147_148_ad6f_b_cf:Ga-La-Mo,49.0,A40BC8_hR147_148_ad6f_b_cf:Ga-La-Mo +mp-1226518,CeNdAl4,-4.7428078717,-0.4622178871,0.0208361542,0.0208361542,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Nd,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Nd +mp-561084,Nd4Al2O9,-8.4558320722,-3.7169027528,0.0,-0.0073101417,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Nd-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_6e_15e_35e:Al-Nd-O, expected Nd15Al6O35 to be Nd4Al2O9" +mp-1206367,Ce3AlO,-6.7061688660000005,-1.4078624648,0.025310901,0.025310901,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Ce-O,5.0,AB3C_cP5_221_a_c_b:Al-Ce-O +mp-5899,NdAlO3,-8.343991437,-3.6732335577,0.0,-0.0287278971,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-Nd-O,10.0,ABC3_hR30_167_b_a_e:Al-Nd-O +mp-14254,NdAlO3,-8.31650052,-3.6457426407,0.027490917,-0.0012369801,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Nd-O,5.0,ABC3_cP5_221_b_a_c:Al-Nd-O +mp-38284,Ce2Nd2O7,-8.8835642627,-3.7899920669,0.0725007852,0.0725007852,GGA,P1,A2B2C7_aP44_1_8a_8a_28a:Ce-Nd-O,44.0,A2B2C7_aP44_1_8a_8a_28a:Ce-Nd-O +mp-686001,Ce2Nd2O7,-8.87871353,-3.7851413342,0.077351518,0.077351518,GGA,Pmma,A2B2C7_oP22_51_af_cf_3e2j:Ce-Nd-O,22.0,"Invalid WP multiplicities - A2B2C7_oP22_51_af_2c2f_6e4j:Ce-Nd-O, expected CeNd2O7 to be Ce2Nd2O7" +mp-754846,Ce2Nd2O7,-8.9079470759,-3.8143748801,0.048117972,0.048117972,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Ce-Nd-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Ce-Nd-O, expected CeNdO10 to be Ce2Nd2O7" +mp-1226589,CeNdAl2O6,-8.437139616,-3.6498875645,0.0,-0.002333762,GGA,Cm,A2BCD6_mC20_8_b_a_a_2a2b:Al-Ce-Nd-O,10.0,A2BCD6_mC20_8_b_a_a_2a2b:Al-Ce-Nd-O +mp-675003,Ce8Nd2O19,-9.0820196224,-3.8755336356,0.0284327344,0.0284327344,GGA,P-4m2,A8B2C19_tP29_115_4g_g_abc4e4f:Ce-Nd-O,29.0,"Invalid WP multiplicities - A8B2C19_tP29_115_7g_g_abc8e8f:Ce-Nd-O, expected Ce14Nd2O35 to be Ce8Nd2O19" +mp-676933,CeAl8O16,-7.0390324204,-2.4372438134,0.8630682771,0.8630682771,GGA,Pmm2,A8BC16_oP25_25_8a_d_8a3b5c:Al-Ce-O,25.0,A8BC16_oP25_25_8a_d_8a3b5c:Al-Ce-O +mp-780987,NdAl11O18,-4.3588838477,0.1414454312,3.6097463443,3.6097463443,GGA,P-1,A11BC18_aP30_2_b5i_c_9i:Al-Nd-O,30.0,"Invalid WP multiplicities - A11BC18_aP30_2_b9i_c_17i:Al-Nd-O, expected NdAl19O34 to be NdAl11O18" +mp-757092,NdAl11O18,-7.8760059157,-3.3756766368,0.0926242763,0.0926242763,GGA,P-1,A11BC18_aP30_2_b5i_c_9i:Al-Nd-O,30.0,"Invalid WP multiplicities - A11BC18_aP30_2_b9i_c_17i:Al-Nd-O, expected NdAl19O34 to be NdAl11O18" +mp-1376797,NdAl11O18,-6.9247993113,-2.4244700325,1.0438308807,1.0438308807,GGA,P-1,A11BC18_aP30_2_a5i_b_9i:Al-Nd-O,30.0,"Invalid WP multiplicities - A11BC18_aP30_2_a9i_b_17i:Al-Nd-O, expected NdAl19O34 to be NdAl11O18" +mp-676077,Ce3Nd2O9,-8.95556323,-3.8230088921,0.0538021984,0.0538021984,GGA,I-4m2,A3B2C9_tI28_119_ae_e_c4f:Ce-Nd-O,14.0,"Invalid WP multiplicities - A3B2C9_tI28_119_a2e_e_c6f:Ce-Nd-O, expected Ce5Nd2O13 to be Ce3Nd2O9" +mp-1096905,Ce4Al2O9,-8.7121923902,-3.6626119447,0.0095627558,0.0095627558,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Ce-O,60.0,A2B4C9_mP60_14_2e_4e_9e:Al-Ce-O +mp-776167,CeAlO3,-8.522544917,-3.6187986933,0.003075354,-0.0150111386,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Ce-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-Ce-O, expected CeAlO7 to be CeAlO3" +mp-19843,CeAlO3,-8.525620271,-3.6218740472,0.0,-0.0180864926,GGA,Imma,ABC3_oI20_74_a_e_eg:Al-Ce-O,10.0,ABC3_oI20_74_a_e_eg:Al-Ce-O +mp-4096,CeAlO3,-8.520020075,-3.6162738512,0.005600196,-0.0124862966,GGA,I4/mcm,ABC3_tI20_140_c_b_ah:Al-Ce-O,10.0,ABC3_tI20_140_c_b_ah:Al-Ce-O +mp-3408,CeAlO3,-8.524981815,-3.6212355912,0.000638456,-0.0174480366,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-Ce-O,10.0,ABC3_hR30_167_b_a_e:Al-Ce-O +mp-5323,CeAlO3,-8.508505242,-3.6047590182,0.017115029,-0.0009714636,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Ce-O,5.0,ABC3_cP5_221_b_a_c:Al-Ce-O +mp-1226604,CeAlO2,-7.772199375,-2.8791887731,0.2393262116,0.2393262116,GGA,P4/mmm,ABC2_tP4_123_b_c_e:Al-Ce-O,4.0,ABC2_tP4_123_b_c_e:Al-Ce-O +mp-662534,AgIrF7,-4.5089619131,-1.7254793624,0.0,-0.0300570925,GGA,Pnma,AB7C_oP36_62_c_3c2d_c:Ag-F-Ir,36.0,"Invalid WP multiplicities - AB7C_oP36_62_c_12c12d_c:Ag-F-Ir, expected AgIrF36 to be AgIrF7" +mp-1110607,Rb2AgIrF6,-4.678934091,-2.1688408777,0.0641436363,0.0641436363,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-Rb +mp-570000,K3Mo2Br9,-4.2657516986,-1.4800551249,0.0023414721,0.0023414721,GGA,P6_3/m,A9B3C2_hP28_176_hi_af_f:Br-K-Mo,28.0,"Invalid WP multiplicities - A9B3C2_hP28_176_3h4i_2a2f_f:Br-K-Mo, expected K6Mo2Br33 to be K3Mo2Br9" +mp-531064,KMo3Br7,-5.3261484028,-1.2790077131,0.0,-0.0008396192,GGA,Pnnn,A7BC3_oP88_48_7m_abe_3m:Br-K-Mo,88.0,"Invalid WP multiplicities - A7BC3_oP88_48_25m_2a2b2e_9m:Br-K-Mo, expected K2Mo9Br25 to be KMo3Br7" +mp-1110894,K2NaMoBr6,-3.940035266,-1.5693209383,0.0527461265,0.0527461265,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Mo-Na +mp-1211909,K2MoBr4,-4.3047774821,-1.550697293,0.1052766098,0.1052766098,GGA,I4/mmm,A4B2C_tI28_139_n_h_e:Br-K-Mo,14.0,A4B2C_tI28_139_n_h_e:Br-K-Mo +mp-1110884,K3MoBr6,-3.93420131,-1.5846996169,0.0741690145,0.0741690145,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Mo,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Mo +mp-1220684,NaYbF4,-5.04293692,-3.2915953461,0.0032432583,-0.0348322633,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-Na-Yb,,A4BC_tP6_123_i_a_d:F-Na-Yb +mp-676247,NaYbF4,-5.0461801783,-3.2948386044,0.0,-0.0380755217,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:F-Na-Yb,,A4BC_tI24_141_f_a_b:F-Na-Yb +mp-1205802,Rb2NaYbF6,-4.764954542,-3.1357469897,0.0499284745,0.0499284745,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Yb,,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Yb +mp-1110765,Rb2CuBiI6,-2.898515497,-1.0244192925,0.073582691,0.073582691,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-I-Rb +mp-675786,Cu3(BiI4)4,-2.8783484783,-0.65080769,0.0199905778,0.0199905778,GGA,Cm,A4B3C16_mC46_8_2ab_3a_8a4b:Bi-Cu-I,23.0,"Invalid WP multiplicities - A4B3C16_mC46_8_2ab_3a_8a7b:Bi-Cu-I, expected Cu3(Bi2I11)2 to be Cu3(BiI4)4" +mp-1214486,Ba7Fe7F34,-6.2178800333,-3.3488538261,0.001045031,0.001045031,GGA+U,C2/m,A7B34C7_mC96_12_aij_3i7j_dij:Ba-F-Fe,48.0,A7B34C7_mC96_12_aij_3i7j_dij:Ba-F-Fe +mp-1205913,Ba2FeF6,-6.2468791233,-3.6050074683,0.0350342583,0.0350342583,GGA+U,I4/mmm,A2B6C_tI18_139_e_cde_a:Ba-F-Fe,,A2B6C_tI18_139_e_cde_a:Ba-F-Fe +mp-1214474,BaFe2F7,-6.3279092782,-3.103972265,0.0157868525,0.0157868525,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Ba-F-Fe,40.0,AB7C2_mP40_14_e_7e_2e:Ba-F-Fe +mp-1219607,RbBa2Fe2F9,-5.925631025,-3.1426426621,0.1823764863,0.1823764863,GGA+U,R3m,A2B9C2D_hR42_160_2a_3b_2a_a:Ba-F-Fe-Rb,14.0,A2B9C2D_hR42_160_2a_3b_2a_a:Ba-F-Fe-Rb +mp-554451,BaFeF4,-6.3792329217,-3.3734142517,0.0046562808,0.0046562808,GGA+U,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-F-Fe,12.0,AB4C_oC24_36_a_4a_a:Ba-F-Fe +mp-28359,Ba2Fe3F10,-6.434880428,-3.210693549,0.010194267,0.010194267,GGA+U,P2_1/c,A2B10C3_mP60_14_2e_10e_3e:Ba-F-Fe,60.0,"Invalid WP multiplicities - A2B10C3_mP60_14_2e_13e_3e:Ba-F-Fe, expected Ba2Fe3F13 to be Ba2Fe3F10" +mp-14999,BaFeF5,-6.1953587589,-3.3458743321,0.0,-0.0535109506,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-F-Fe,56.0,AB5C_mP56_14_2e_10e_2e:Ba-F-Fe +mp-540652,BaFeF5,-6.183304788,-3.3338203613,0.0120539709,-0.0414569797,GGA+U,I4,AB5C_tI112_79_2c_2ab9c_2abc:Ba-F-Fe,56.0,AB5C_tI112_79_2c_2ab9c_2abc:Ba-F-Fe +mp-1228920,CsFeCuF6,-5.2745416428,-2.5041523031,0.0,-0.0100144012,GGA+U,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Fe,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Fe, expected CsFeCuF12 to be CsFeCuF6" +mp-1193196,Re3Br9O2,-4.8746544893,-0.5029249216,0.2987844836,0.2987844836,GGA,C2/m,A9B2C3_mC56_12_3i3j_gi_ij:Br-O-Re,28.0,A9B2C3_mC56_12_3i3j_gi_ij:Br-O-Re +mp-1209903,Re3Br9O2,-4.9654649486,-0.5937353809,0.2079740243,0.2079740243,GGA,C2/m,A9B2C3_mC56_12_3i3j_gi_ij:Br-O-Re,28.0,A9B2C3_mC56_12_3i3j_gi_ij:Br-O-Re +mp-1209145,RePbBrO4,-7.2878264986,-1.9311182943,0.0151063877,0.0151063877,GGA,Pmn2_1,AB4CD_oP14_31_a_2ab_a_a:Br-O-Pb-Re,14.0,AB4CD_oP14_31_a_2ab_a_a:Br-O-Pb-Re +mp-1192234,ZnClO,-3.7875385396,-1.1025488792,0.3119781299,0.3119781299,GGA,Pbca,ABC_oP24_61_c_c_c:Cl-O-Zn,24.0,ABC_oP24_61_c_c_c:Cl-O-Zn +mp-738288,ZnAu2(Cl4O)2,-3.0344979165,-0.5353303540000001,0.3030717109,0.3030717109,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Au-Cl-O-Zn,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Au-Cl-O-Zn +mp-27265,AuClO,-3.9554439439,-0.5990748201,0.0,-0.0242646197,GGA,R-3,ABC_hR54_148_f_f_f:Au-Cl-O,18.0,ABC_hR54_148_f_f_f:Au-Cl-O +mp-1188863,Zn5Cl2O9,-4.0319127425,-0.6246633818,0.6359580104,0.6359580104,GGA,R-3m,A2B9C5_hR48_166_c_ach_cd:Cl-O-Zn,16.0,A2B9C5_hR48_166_c_ach_cd:Cl-O-Zn +mp-971700,ZnAuO3,-4.029493814,-0.1547554652,0.7911670241000001,0.7911670241000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Au-O-Zn,5.0,AB3C_cP5_221_a_c_b:Au-O-Zn +mp-1195965,AuCl4O3,-3.068763435,0.1197484117,0.6498602809,0.6498602809,GGA,P2_1/c,AB4C3_mP32_14_e_4e_3e:Au-Cl-O,32.0,AB4C3_mP32_14_e_4e_3e:Au-Cl-O +mp-997046,AuClO2,-4.0654213775,-0.3114723569,0.1885483635,0.1885483635,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Au-Cl-O,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_4e:Au-Cl-O, expected AuClO4 to be AuClO2" +mp-997018,AuClO2,-4.0696827925,-0.3157337719,0.1842869485,0.1842869485,GGA,C2/c,ABC2_mC16_15_c_e_f:Au-Cl-O,8.0,ABC2_mC16_15_a_e_f:Au-Cl-O +mp-997092,AuClO2,-4.0393079038,-0.2853588831,0.2146618373,0.2146618373,GGA,C222_1,ABC2_oC16_20_a_b_c:Au-Cl-O,8.0,ABC2_oC16_20_a_b_c:Au-Cl-O +mp-1207660,ZnClO8,-4.4519274745,-0.1837484785,0.3111682109,0.3111682109,GGA,P2_1/c,AB8C_mP40_14_e_8e_e:Cl-O-Zn,40.0,AB8C_mP40_14_e_8e_e:Cl-O-Zn +mp-1215881,Zn(ClO7)2,-4.1993266835,0.1659944275,0.5374805022,0.5374805022,GGA,P3m1,A2B14C_hP17_156_ab_ab4d_c:Cl-O-Zn,17.0,A2B14C_mC34_8_2a_6a4b_a:Cl-O-Zn +mp-1178844,Zn2Cl5O2,-3.0836116839,-0.6774396903000001,0.4784002121,0.4784002121,GGA,P1,A5B2C2_aP18_1_10a_4a_4a:Cl-O-Zn,18.0,A5B2C2_aP18_1_10a_4a_4a:Cl-O-Zn +mp-1188788,Zn2Cl5O2,-3.1029199639,-0.6967479703,0.4590919321,0.4590919321,GGA,Fdd2,A5B2C2_oF72_43_a2b_b_b:Cl-O-Zn,18.0,A5B2C2_oF72_43_a2b_b_b:Cl-O-Zn +mp-630336,AuCl5O18,-4.3449659298,-0.1134258422,0.218499369,0.218499369,GGA,C2/c,AB5C18_mC96_15_c_e2f_9f:Au-Cl-O,48.0,"Invalid WP multiplicities - AB5C18_mC96_15_a_2e4f_31f:Au-Cl-O, expected Au(Cl5O31)2 to be AuCl5O18" +mp-675095,NbAgO2,-7.2724281404,-1.565618524,0.6082387685,0.6082387685,GGA,Cmmm,ABC2_oC48_65_abkl_fm_ehmn:Ag-Nb-O,24.0,"Invalid WP multiplicities - ABC2_oC48_65_ab2k2l_2fm_eh2m2n:Ag-Nb-O, expected Nb4(AgO2)5 to be NbAgO2" +mp-1210284,Nb13AgO33,-9.3051227113,-2.977670605,0.0,-0.0291140485,GGA,C2/m,AB13C33_mC94_12_c_b6i_a16i:Ag-Nb-O,,AB13C33_mC94_12_c_a6i_b16i:Ag-Nb-O +mp-16837,Nb3AgO8,-8.7187749854,-2.6596099176,0.0628018862,0.0628018862,GGA,Ibam,AB3C8_oI48_72_a_bj_2jk:Ag-Nb-O,24.0,AB3C8_oI48_72_a_bj_2jk:Ag-Nb-O +mp-1212605,GdNb5Ag2O15,-9.0144077752,-2.7340560311,0.094712376,0.094712376,GGA,P4/mbm,A2BC5D15_tP46_127_g_a_cj_dhi2j:Ag-Gd-Nb-O,46.0,A2BC5D15_tP46_127_g_a_cj_dhi2j:Ag-Gd-Nb-O +mp-1203481,NbAgO3,-7.7367455037,-2.1819600683,0.0605651892,0.0605651892,GGA,Pmc2_1,ABC3_oP40_26_abc_2c_ab5c:Ag-Nb-O,40.0,ABC3_oP40_26_abc_2c_ab5c:Ag-Nb-O +mp-2349989,NbAgO3,-7.709486103,-2.1547006676,0.0878245899,0.0878245899,GGA,Pmmm,ABC3_oP5_47_d_e_al:Ag-Nb-O,10.0,"Invalid WP multiplicities - ABC3_oP5_47_d_e_2a2l:Ag-Nb-O, expected NbAgO6 to be NbAgO3" +mp-5537,NbAgO3,-7.7378168433,-2.1830314078,0.0594938497,0.0594938497,GGA,Pbcm,ABC3_oP40_57_cd_e_cd2e:Ag-Nb-O,40.0,"Invalid WP multiplicities - ABC3_oP40_57_cd_e_cd3e:Ag-Nb-O, expected NbAgO4 to be NbAgO3" +mp-1205362,NbAgO3,-7.725453274,-2.1706678386,0.0718574189,0.0718574189,GGA,Cmcm,ABC3_oC40_63_2c_d_efg:Ag-Nb-O,20.0,ABC3_oC40_63_2c_d_efg:Ag-Nb-O +mp-557680,NbAgO3,-7.705599766,-2.1508143306,0.0917109269,0.0917109269,GGA,Cmmm,ABC3_oC20_65_ab_f_hp:Ag-Nb-O,10.0,"Invalid WP multiplicities - ABC3_oC20_65_ab_f_2h2p:Ag-Nb-O, expected NbAgO6 to be NbAgO3" +mp-1220387,NbAgO3,-7.722826699,-2.1680412636,0.0744839939,0.0744839939,GGA,P4/mbm,ABC3_tP10_127_c_a_bg:Ag-Nb-O,10.0,ABC3_tP10_127_c_a_bg:Ag-Nb-O +mp-12725,NbAgO3,-7.705405074,-2.1506196386,0.0919056189,0.0919056189,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Nb-O,5.0,ABC3_cP5_221_a_b_c:Ag-Nb-O +mp-1202965,Nb4Ag2O11,-8.4368832094,-2.5260650923,0.0552036096,0.0552036096,GGA,Cc,A2B4C11_mC68_9_2a_4a_11a:Ag-Nb-O,34.0,A2B4C11_mC68_9_2a_4a_11a:Ag-Nb-O +mp-1199011,Nb4Ag2O11,-8.4392537521,-2.528435635,0.052833067,0.052833067,GGA,R3,A2B4C11_hR102_146_4a_2a2b_4a6b:Ag-Nb-O,34.0,A2B4C11_hR102_161_2a_ab_2a3b:Ag-Nb-O +mp-984755,Nb4Ag2O11,-8.4376151918,-2.5267970747,0.0544716273,0.0544716273,GGA,R3c,A2B4C11_hR102_161_2a_ab_2a3b:Ag-Nb-O,34.0,A2B4C11_hR102_161_2a_ab_2a3b:Ag-Nb-O +mp-1200403,Nb4Ag2O11,-8.4344464703,-2.5236283532,0.0576403487,0.0576403487,GGA,R-3c,A2B4C11_hR102_167_c_be_cef:Ag-Nb-O,34.0,A2B4C11_hR102_167_c_be_cef:Ag-Nb-O +mp-1210596,Nb14AgO36,-9.2337352869,-2.9135074404,0.0389125131,0.0389125131,GGA,Immm,AB14C36_oI102_71_a_2eh2n_3fg7n:Ag-Nb-O,51.0,AB14C36_oI102_71_a_2eh2n_3fg7n:Ag-Nb-O +mp-972395,TmBeO3,-7.497920196,-2.8868573116,0.4012908194,0.4012908194,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Tm,5.0,AB3C_cP5_221_b_c_a:Be-O-Tm +mp-1208014,Tm2Be2GeO7,-7.9373449087,-3.2973161245,0.0065826067,0.0065826067,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Tm,24.0,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Tm +mp-1209268,RbErBeF6,-6.2052058633,-3.8989236908,0.0,-0.0203200716,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-Rb,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-Rb +mp-1193092,ErBe13,-3.9846471818,-0.1860696064,0.0,-0.1860696064,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Er,28.0,A13B_cF112_226_bi_a:Be-Er +mp-555932,RbEr3F10,-6.7165642607,-4.3023871052,0.0,-0.049526691,GGA,P6_3mc,A3B10C_hP56_186_2c_2b4cd_ab:Er-F-Rb,56.0,"Invalid WP multiplicities - A3B10C_hP56_186_6c_4b23c9d_2a2b:Er-F-Rb, expected Rb4Er18F127 to be RbEr3F10" +mp-1206446,Rb3ErF6,-5.411812716,-3.5139932328,0.038733821,0.026874603,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Er-F-Rb,10.0,AB6C3_tI20_139_a_ei_bd:Er-F-Rb +mp-1206448,Rb3ErF6,-5.450546537,-3.5527270538,0.0,-0.011859218,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Er-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Er-F-Rb +mp-6528,Cs2NaAlF6,-5.2463734225,-3.4135954552,0.0,-0.024944235,GGA,R-3m,AB2C6D_hR60_166_ab_2c_2h_c:Al-Cs-F-Na,20.0,"Invalid WP multiplicities - AB2C6D_hR60_166_ab_2c_5h_c:Al-Cs-F-Na, expected Cs2NaAlF15 to be Cs2NaAlF6" +mp-1112569,Cs2NaAlF6,-5.23054218,-3.3977642127,0.0158312425,-0.0091129925,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Na +mp-12309,Cs2NaAl3F12,-5.7286117128,-3.6570669829,0.0,-0.023656618,GGA,R-3m,A3B2C12D_hR54_166_d_c_2h_a:Al-Cs-F-Na,18.0,A3B2C12D_hR54_166_d_c_2h_a:Al-Cs-F-Na +mp-1096200,Ba2HgPd,-1.5579354875,0.7724425262,1.3107718912,1.3107718912,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Pd,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Pd +mp-557269,Ba2Hg3(PdO2)7,-5.4395574431,-1.1987187661,0.0,-0.050881502,GGA,C2/m,A2B3C14D7_mC52_12_i_ai_3i2j_cefi:Ba-Hg-O-Pd,26.0,"Invalid WP multiplicities - A2B3C14D7_mC52_12_i_ai_6i7j_d2efi:Ba-Hg-O-Pd, expected Ba2Hg3Pd9O40 to be Ba2Hg3(PdO2)7" +mp-1112413,Rb2YCuBr6,-4.048370185,-1.8638785942,0.0358597755,0.0358597755,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Rb-Y +mp-1078748,Sr2TaInO6,-7.864505331,-3.0976472776,0.0048899575,-0.0231964563,GGA,C2/m,AB6C2D_mC20_12_a_ij_i_d:In-O-Sr-Ta,10.0,AB6C2D_mC20_12_a_ij_i_d:In-O-Sr-Ta +mp-1190108,Sr2TaInO6,-7.8693952885,-3.1025372351,0.0,-0.0280864138,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:In-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:In-O-Sr-Ta +mp-1086666,Sr2TaInO6,-7.859666377,-3.0928083236,0.0097289115,-0.0183575023,GGA,I4/m,AB6C2D_tI20_87_a_eh_d_b:In-O-Sr-Ta,10.0,AB6C2D_tI20_87_a_eh_d_b:In-O-Sr-Ta +mp-1080506,Sr2TaInO6,-7.827522313,-3.0606642596,0.0418729755,0.0137865617,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-Ta +mp-540688,SrIn2O4,-6.2122316807,-2.3580008581,0.0,-0.0444741979,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:In-O-Sr,28.0,A2B4C_oP28_62_2c_4c_c:In-O-Sr +mp-972021,SrInO3,-5.974557026,-2.1183083626,0.1941839005,0.1941839005,GGA,Pm-3m,AB3C_cP5_221_b_c_a:In-O-Sr,5.0,AB3C_cP5_221_b_c_a:In-O-Sr +mp-22512,Sr2In2O5,-6.2240041467000005,-2.4889154886,0.0290245106,0.0290245106,GGA,Ima2,A2B5C2_oI36_46_ab_b2c_c:In-O-Sr,18.0,A2B5C2_oI36_46_ab_b2c_c:In-O-Sr +mp-1220815,NaHf2TiF11,-7.165210642,-3.8212997078,0.0075036954,0.0075036954,GGA,Cm,A11B2CD_mC30_8_5a3b_2a_a_a:F-Hf-Na-Ti,15.0,A11B2CD_mC30_8_5a3b_2a_a_a:F-Hf-Na-Ti +mp-1189018,Na5Hf2F13,-6.2171949385,-3.6483833833,0.0077789514,0.0077789514,GGA,C2/m,A13B2C5_mC40_12_a3j_i_d2i:F-Hf-Na,20.0,A13B2C5_mC40_12_a3j_i_c2i:F-Hf-Na +mp-37737,HfTiF6,-7.2886440038,-3.6234496473,0.1797941632,0.1797941632,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Hf-Ti,8.0,A6BC_cF32_225_e_a_b:F-Hf-Ti +mp-864765,Na3HfF8,-5.6948275258,-3.2601111383,0.0521219956,0.0521219956,GGA,I4/mmm,A8BC3_tI24_139_m_a_bd:F-Hf-Na,12.0,A8BC3_tI24_139_m_a_bd:F-Hf-Na +mp-34579,Na3HfF7,-6.0956286627,-3.613345237,0.0,-0.0294954745,GGA,Cm,A7BC3_mC22_8_3a2b_a_ab:F-Hf-Na,11.0,"Invalid WP multiplicities - A7BC3_mC22_8_3a4b_a_a2b:F-Hf-Na, expected Na5HfF11 to be Na3HfF7" +mp-1208558,Te(Br3O4)2,-3.2630981863,0.2059008512,0.6991329509,0.6991329509,GGA,P2_1/c,A6B8C_mP30_14_3e_4e_a:Br-O-Te,30.0,A6B8C_mP30_14_3e_4e_a:Br-O-Te +mp-28671,ZrTe2Br5,-4.1450508387,-1.3201190804,0.0086786175,0.0086786175,GGA,C2/m,A5B2C_mC32_12_i2j_gi_h:Br-Te-Zr,16.0,"Invalid WP multiplicities - A5B2C_mC32_12_i3j_gi_h:Br-Te-Zr, expected ZrTe2Br7 to be ZrTe2Br5" +mp-28672,Zr2TeBr12,-4.151174094,-1.5595042864000002,0.0,-0.0270066884,GGA,P2_1/c,A12BC2_mP60_14_12e_e_2e:Br-Te-Zr,60.0,A12BC2_mP60_14_12e_e_2e:Br-Te-Zr +mp-1202377,Zr2Te4Br2O11,-6.7627345487,-2.1738789004,0.0,-0.0183485122,GGA,P-1,A2B11C4D2_aP38_2_2i_11i_4i_2i:Br-O-Te-Zr,38.0,A2B11C4D2_aP38_2_2i_11i_4i_2i:Br-O-Te-Zr +mp-29251,Te6Br2O11,-5.4257720597,-1.405800068,0.0087320848,0.0087320848,GGA,Cmcm,A2B11C6_oC76_63_g_cf2h_fh:Br-O-Te,38.0,"Invalid WP multiplicities - A2B11C6_oC76_63_g_cf3h_fh:Br-O-Te, expected Te6Br2O15 to be Te6Br2O11" +mp-754503,ZrBrO,-7.6571019333,-2.6412960429,0.1067878844,0.1067878844,GGA,R-3m,ABC_hR18_166_c_c_c:Br-O-Zr,6.0,ABC_hR18_166_c_c_c:Br-O-Zr +mp-1215390,Zr4Br4O,-6.83551878,-1.7966738299,0.0,-0.0058093722,GGA,R3m,A4BC4_hR27_160_4a_a_4a:Br-O-Zr,9.0,A4BC4_hR27_160_4a_a_4a:Br-O-Zr +mp-1111392,CsRb2TiF6,-5.447088694,-3.2250050601,0.0389204923,0.0389204923,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Ti +mp-12244,Cs3TiF7,-5.6066912259,-3.4283228709,0.0,-0.1784515049,GGA,P4/mbm,A3B7C_tP22_127_bg_ahk_c:Cs-F-Ti,22.0,A3B7C_tP22_127_bg_ahk_c:Cs-F-Ti +mp-1197107,CsTi8F33,-6.7230466432,-3.6959479662,0.0,-0.0305410828,GGA,P31c,AB33C8_hP84_159_b_11c_ab2c:Cs-F-Ti,84.0,AB33C8_hP84_159_b_11c_ab2c:Cs-F-Ti +mp-504701,CsTiF4,-6.2250688037,-3.4856004273,0.0,-0.030764445,GGA,P4/nmm,AB4C_tP24_129_ac_ij_e:Cs-F-Ti,24.0,AB4C_tP24_129_ac_ij_e:Cs-F-Ti +mp-1112963,Cs3TiF6,-5.469172457,-3.2641151632,0.0,-0.0093611895,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Ti,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Ti +mp-624190,GePbS3,-4.8821441055,-0.7331392004,0.0,-0.0059073813,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ge-Pb-S,20.0,ABC3_mP20_14_e_e_3e:Ge-Pb-S +mp-1202502,Cs4Ge5(PbS4)4,-4.6830448123,-0.9681987808,0.0,-0.0105540829,GGA,Cmce,A4B5C4D16_oC232_64_2g_f2g_2def_2f7g:Cs-Ge-Pb-S,,A4B5C4D16_oC232_64_2g_f2g_2def_2f7g:Cs-Ge-Pb-S +mp-560370,Ge(PbS2)2,-4.8392080954,-0.7543336007,0.0,-0.0065129643,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ge-Pb-S,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_4e_13e:Ge-Pb-S, expected GePb4S13 to be Ge(PbS2)2" +mp-531296,Ge(PbS2)2,-4.8273592141,-0.7424847195000001,0.0118488813,0.005335917,GGA,I-42d,AB2C4_tI112_122_e_c3d_4e:Ge-Pb-S,56.0,"Invalid WP multiplicities - AB2C4_tI112_122_e_4c12d_25e:Ge-Pb-S, expected GePb8S25 to be Ge(PbS2)2" +mp-1104613,CsV5Se8,-6.3414012207,-1.035528039,0.0183265757,0.0183265757,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Cs-Se-V,14.0,AB8C5_mC28_12_a_4i_c2i:Cs-Se-V +mp-1120763,Cs3VSe4,-4.4947049725,-1.2754850854,0.0,-0.1606634544,GGA,I-43m,A3B4C_cI16_217_b_c_a:Cs-Se-V,8.0,A3B4C_cI16_217_b_c_a:Cs-Se-V +mp-1181592,CsVCu3Se4,-4.6281080278,-0.5991553208,0.2074370889,0.2074370889,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-V,9.0,AB3C4D_cP9_215_a_c_e_b:Cs-Cu-Se-V +mp-473,Na3P11,-4.773569177,-0.2368617874,0.0,-0.0308752704,GGA,Pbcn,A3B11_oP56_60_cd_c5d:Na-P,56.0,A3B11_oP56_60_cd_c5d:Na-P +mp-1194653,NaP15,-5.2299215741,-0.0722926432,0.0034261654,0.0034261654,GGA,P-1,AB15_aP32_2_i_15i:Na-P,32.0,AB15_aP32_2_i_15i:Na-P +mp-1598,Na3P,-2.6770151512,-0.3317955545,0.0,-0.1415240564,GGA,P6_3/mmc,A3B_hP8_194_bf_c:Na-P,8.0,A3B_hP8_194_bf_c:Na-P +mp-1195785,NaP7,-5.0533929723,-0.1514376173,0.0,-0.0113812089,GGA,I4_1/acd,AB7_tI128_142_f_e3g:Na-P,64.0,AB7_tI128_142_f_e3g:Na-P +mp-5929,Na5SiP3,-3.5550691800000003,-0.4130856225,0.0,-0.0964907111,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:Na-P-Si,36.0,A5B3C_mP36_14_5e_3e_e:Na-P-Si +mp-1221229,Na4Eu2SiP4,-5.4850507545,-0.6775386790000001,0.0,-0.0577051986,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Eu-Na-P-Si,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Eu-Na-P-Si, expected Na7Eu4SiP7 to be Na4Eu2SiP4" +mp-7440,NaP,-3.7484568962,-0.3805429962,0.0,-0.0930498663,GGA,P2_12_12_1,AB_oP16_19_2a_2a:Na-P,16.0,AB_oP16_19_2a_2a:Na-P +mp-31086,NaP5,-4.9065585425,-0.175052238,0.016249992,0.016249992,GGA,Pnma,AB5_oP24_62_c_3cd:Na-P,24.0,AB5_oP24_62_c_3cd:Na-P +mp-10328,LaCrS3,-7.160736413,-1.7610555779,0.0,-0.0169000195,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-La-S,20.0,ABC3_oP20_62_c_c_3c:Cr-La-S +mp-13005,LaCrGe3,-6.149685938,-0.45805831,0.0,-0.0112409037,GGA,P6_3/mmc,AB3C_hP10_194_a_h_c:Cr-Ge-La,10.0,AB3C_hP10_194_a_h_c:Cr-Ge-La +mp-1211604,La3CrS6,-7.0320330173,-2.1040562186,0.0236540192,0.0236540192,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-La-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-La-S +mp-1191612,La4CrS7,-6.8506208896,-1.9879354764,0.2334444743,0.2334444743,GGA,P6_3,AB4C7_hP24_173_b_ac_b2c:Cr-La-S,24.0,AB4C7_hP24_173_b_ac_b2c:Cr-La-S +mp-1223289,La6Cr(GeS7)2,-6.5315850839,-1.9043918689,0.0018792895,0.0018792895,GGA,P3,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cr-Ge-La-S,23.0,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cr-Ge-La-S +mp-1224076,In2AgS3Cl,-4.1096753436,-0.8819882401,0.0,-0.0183578149,GGA,R-3m,ABC2D3_hR42_166_c_c_ad_h:Ag-Cl-In-S,14.0,ABC2D3_hR42_166_c_c_ad_h:Ag-Cl-In-S +mp-31263,In5S5Cl,-4.1639699459,-0.8649513419,0.0,-0.0087405128,GGA,P2_1/m,AB5C5_mP22_11_e_5e_5e:Cl-In-S,22.0,AB5C5_mP22_11_e_5e_5e:Cl-In-S +mp-19453,Te2MoO7,-6.8445570675,-1.66864878,0.0,-0.0011078041,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-Te,40.0,AB7C2_mP40_14_e_7e_2e:Mo-O-Te +mp-504908,In2TeO6,-6.0820957633,-1.8235618055,0.0,-0.0852233126,GGA,P321,A2B6C_hP27_150_ef_3g_ad:In-O-Te,27.0,A2B6C_hP27_150_ef_3g_ad:In-O-Te +mp-559100,In2Te2MoO10,-6.60721893,-1.8003844987000002,0.0186259576,0.0186259576,GGA+U,P2_1/c,A2BC10D2_mP60_14_2e_e_10e_2e:In-Mo-O-Te,60.0,"Invalid WP multiplicities - A2BC10D2_mP60_14_5e_e_36e_7e:In-Mo-O-Te, expected In5Te7MoO36 to be In2Te2MoO10" +mp-1046563,Te3Mo5O18,-7.577121104,-1.704099372,0.1072559147,0.1072559147,GGA+U,C2,A5B18C3_mC104_5_ab4c_18c_3c:Mo-O-Te,52.0,"Invalid WP multiplicities - A5B18C3_mC104_5_ab8c_36c_4c:Mo-O-Te, expected Te4(MoO4)9 to be Te3Mo5O18" +mp-28091,In2(TeO3)3,-5.960386087,-1.7137086912,0.0,-0.0387735874,GGA,Pnma,A2B9C3_oP56_62_d_c4d_cd:In-O-Te,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_4c26d_3c2d:In-O-Te, expected In2(TeO8)7 to be In2(TeO3)3" +mp-1217495,TeMo5O16,-8.0765747125,-1.8711849023,0.0115951644,0.0115951644,GGA+U,Pc,A5B16C_mP44_7_5a_16a_a:Mo-O-Te,44.0,"Invalid WP multiplicities - A5B16C_mP44_7_7a_23a_a:Mo-O-Te, expected TeMo7O23 to be TeMo5O16" +mp-27531,TeMo5O16,-8.0802068397,-1.8748170295,0.0079630372,0.0079630372,GGA+U,P2_1/c,A5B16C_mP88_14_5e_16e_e:Mo-O-Te,88.0,"Invalid WP multiplicities - A5B16C_mP88_14_15e_61e_e:Mo-O-Te, expected TeMo15O61 to be TeMo5O16" +mp-22189,In6TeO12,-6.0635646947,-1.9049503364,0.0103298711,0.0103298711,GGA,R-3,A6B12C_hR57_148_f_2f_a:In-O-Te,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_6f_a:In-O-Te, expected In6TeO36 to be In6TeO12" +mp-1247144,LaMgMoS4,-6.3126002507,-1.4657807175,0.294112884,0.294112884,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:La-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:La-Mg-Mo-S, expected LaMgMoS12 to be LaMgMoS4" +mp-676282,Mg(Mo3S4)2,-7.6830961273,-1.032044151,0.032718469,0.032718469,GGA,P1,AB6C8_aP30_1_2a_12a_16a:Mg-Mo-S,30.0,AB6C8_aP30_1_2a_12a_16a:Mg-Mo-S +mp-1232327,LaMgS3,-5.375916514,-1.5867891629000002,0.403210427,0.403210427,GGA,C2/m,ABC3_mC20_12_i_g_ij:La-Mg-S,20.0,ABC3_mC20_12_i_g_ij:La-Mg-S +mp-1238931,LaMgS3,-5.497116522,-1.7079891709,0.282010419,0.282010419,GGA,C2/m,ABC3_mC20_12_i_g_ij:La-Mg-S,10.0,ABC3_mC20_12_i_g_ij:La-Mg-S +mp-1232358,LaMgS3,-5.4316380167,-1.6425106655,0.3474889243,0.3474889243,GGA,R-3,ABC3_hR30_148_c_c_f:La-Mg-S,30.0,ABC3_hR30_148_c_c_f:La-Mg-S +mp-2225305,Mg(MoS2)2,-6.6812795286,-0.9902252804,0.2615041921,0.2615041921,GGA,Cm,AB2C4_mC14_8_a_2a_4a:Mg-Mo-S,7.0,AB2C4_hP7_156_a_ab_2a2b:Mg-Mo-S +mp-2222853,Mg(MoS2)2,-5.55655065,0.1345035982,1.3862330707,1.3862330707,GGA,Amm2,AB2C4_oC14_38_a_ab_2c:Mg-Mo-S,7.0,"Invalid WP multiplicities - AB2C4_oC14_38_a_ab_3c:Mg-Mo-S, expected Mg(MoS3)2 to be Mg(MoS2)2" +mp-2225036,Mg(MoS2)2,-6.6844342457,-0.9933799975,0.258349475,0.258349475,GGA,P3m1,AB2C4_hP7_156_a_2b_2a2c:Mg-Mo-S,7.0,AB2C4_hP7_156_a_2b_2a2c:Mg-Mo-S +mp-2225312,Mg(MoS2)2,-6.6648040886,-0.9737498404,0.2779796321,0.2779796321,GGA,P-3m1,AB2C4_hP7_164_a_c_2d:Mg-Mo-S,7.0,AB2C4_hP7_164_a_c_2d:Mg-Mo-S +mp-2225337,Mg(MoS2)2,-6.6671476529,-0.9760934046,0.2756360679,0.2756360679,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Mg-Mo-S,7.0,"Invalid WP multiplicities - AB2C4_hP7_164_a_d_3d:Mg-Mo-S, expected Mg(MoS3)2 to be Mg(MoS2)2" +mp-2225927,Mg(MoS2)2,-4.9423537714,0.7487004768000001,2.0004299493,2.0004299493,GGA,P-6m2,AB2C4_hP7_187_a_bc_gh:Mg-Mo-S,7.0,"Invalid WP multiplicities - AB2C4_hP7_187_a_bc_2g2h:Mg-Mo-S, expected Mg(MoS4)2 to be Mg(MoS2)2" +mp-1247104,Mg(MoS2)2,-6.5516815621,-0.8606273139,0.3911021586,0.3911021586,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Mo-S,14.0,AB2C4_cF56_227_a_d_e:Mg-Mo-S +mp-677217,MgMo3S4,-7.38507204,-1.0496933091,0.0455699794,0.0455699794,GGA,P-1,AB3C4_aP16_2_i_3i_4i:Mg-Mo-S,16.0,"Invalid WP multiplicities - AB3C4_aP16_2_i_5i_7i:Mg-Mo-S, expected MgMo5S7 to be MgMo3S4" +mp-1017474,LaMg6Mo,-2.9421727531,0.2307444363,0.3046337409,0.3046337409,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Mo, expected LaMg12Mo to be LaMg6Mo" +mp-1017483,LaMg6Mo,-2.9347311338,0.2381860556,0.3120753603,0.3120753603,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Mo, expected LaMg12Mo to be LaMg6Mo" +mp-1246889,LaMg2Mo3S8,-6.4325791764,-1.1636422857,0.3457030413,0.3457030413,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:La-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:La-Mg-Mo-S, expected LaMg2Mo3S16 to be LaMg2Mo3S8" +mp-1247121,La3Mg2MoS8,-6.2129867379,-1.7882845621,0.2221573138,0.2221573138,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:La-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:La-Mg-Mo-S, expected La3Mg2MoS22 to be La3Mg2MoS8" +mp-1026759,LaMg14Mo,-2.2747894325,0.1118091872,0.1566603128,0.1566603128,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Mo, expected LaMg18Mo to be LaMg14Mo" +mp-1026751,LaMg14Mo,-2.2345527625,0.1520458572,0.1968969828,0.1968969828,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Mo, expected LaMg26Mo to be LaMg14Mo" +mp-1103974,La(Mo3S4)2,-8.0883124593,-1.2148786793,0.0,-0.0181401222,GGA,R-3,AB6C8_hR45_148_a_f_cf:La-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:La-Mo-S +mp-1232255,La2MgS4,-6.0282781557,-2.0256933375,0.2352968129,0.2352968129,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:La-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:La-Mg-S +mp-1232241,La2MgS4,-6.2007581018,-2.1981732836,0.0628168668,0.0628168668,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:La-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:La-Mg-S +mp-1232227,La2MgS4,-6.2114191686,-2.2088343504,0.0521557999999999,0.0521557999999999,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:La-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:La-Mg-S +mp-1232243,La2MgS4,-6.1360477939,-2.1334629757,0.1275271746,0.1275271746,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:La-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:La-Mg-S +mp-1232364,La2MgS4,-6.0921649204,-2.0895801021,0.1714100482,0.1714100482,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:La-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:La-Mg-S +mp-1232240,La2MgS4,-6.1747802079,-2.1721953896,0.0887947607,0.0887947607,GGA,I-42d,A2BC4_tI28_122_d_a_e:La-Mg-S,14.0,A2BC4_tI28_122_d_a_e:La-Mg-S +mp-1232281,La2MgS4,-6.1476545986,-2.1450697804,0.11592037,0.11592037,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:La-Mg-S,14.0,A2BC4_cF56_227_c_b_e:La-Mg-S +mp-1045487,Mn2AlS4,-6.469113095,-0.9526265405,0.0853348643,0.0853348643,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Al-Mn-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Al-Mn-S, expected Mn4AlS14 to be Mn2AlS4" +mp-866500,Ce3MnAlS7,-6.8580801129,-1.8862461417,0.7773566150000001,0.7773566150000001,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Mn-S +mp-675160,Ce11MnS16,-8.5421815279,-3.520424604,0.0,-1.2773469324,GGA,P2_12_12,A11BC16_oP56_18_a5c_b_8c:Ce-Mn-S,56.0,"Invalid WP multiplicities - A11BC16_oP56_18_2a20c_b_26c:Ce-Mn-S, expected Ce42MnS52 to be Ce11MnS16" +mp-1025314,Mn(AlS2)2,-5.8611450014,-1.1184355129,0.11780645,0.0810392317,GGA,R3m,A2BC4_hR21_160_2a_a_4a:Al-Mn-S,7.0,A2BC4_hR21_160_2a_a_4a:Al-Mn-S +mp-1104783,Mn(AlS2)2,-5.9789514514,-1.2362419629,0.0,-0.0367672183,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Mn-S,14.0,A2BC4_cF56_227_c_b_e:Al-Mn-S +mp-652683,Ba2Fe6O11,-7.7203145467,-1.9797012328,0.0096051722,0.0096051722,GGA+U,Pnnm,A2B6C11_oP76_58_2g_ace2h_3g4h:Ba-Fe-O,76.0,"Invalid WP multiplicities - A2B6C11_oP76_58_7g_2a2c3e9h_11g27h:Ba-Fe-O, expected Ba7Fe23O65 to be Ba2Fe6O11" +mp-757712,Ba4Fe4O11,-7.2781541311,-2.2271246351,0.0,-0.0055093393,GGA+U,P1,A4B4C11_aP57_1_12a_12a_33a:Ba-Fe-O,57.0,A4B4C11_aP57_1_12a_12a_33a:Ba-Fe-O +mp-504445,BaFe4O7,-7.7296037879,-1.8607803914,0.0698902479,0.0698902479,GGA+U,P6_3/m,AB4C7_hP24_176_c_ef_ai:Ba-Fe-O,24.0,AB4C7_hP24_176_c_ef_ai:Ba-Fe-O +mp-1048391,BaFe4O7,-7.5503182171,-1.6814948205,0.2491758187,0.2491758187,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Fe-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Fe-O +mp-705845,BaFeO3,-6.735871966,-1.6900595092,0.4609849973,0.4393033863,GGA+U,R3m,ABC3_hR60_160_4a_4a_4b:Ba-Fe-O,20.0,"Invalid WP multiplicities - ABC3_hR60_160_4a_4a_5b:Ba-Fe-O, expected Ba4Fe4O15 to be BaFeO3" +mp-1192651,BaFeO3,-7.1968569633,-2.1510445066,0.0,-0.021681611,GGA+U,P6_3/mmc,ABC3_hP30_194_bf_af_hk:Ba-Fe-O,30.0,ABC3_hP30_194_bf_af_hk:Ba-Fe-O +mp-19035,BaFeO3,-7.18999273,-2.1441802732,0.0068642333,-0.0148173777,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Fe-O,5.0,ABC3_cP5_221_a_b_c:Ba-Fe-O +mp-566548,Ba(Fe2O3)9,-7.9324033613,-1.672839189,0.0742938774,0.0742938774,GGA+U,P6_3/mmc,AB18C27_hP92_194_b_ce3fgk_e2fh3k:Ba-Fe-O,92.0,"Invalid WP multiplicities - AB18C27_hP92_194_b_2c4e12f5g9k_4e7f5h27k:Ba-Fe-O, expected BaFe103O199 to be Ba(Fe2O3)9" +mp-30093,Ba3FeO5,-6.8138356756,-2.4849034993,0.0041776894,0.0041776894,GGA+U,Pnma,A3BC5_oP36_62_cd_c_3cd:Ba-Fe-O,36.0,A3BC5_oP36_62_cd_c_3cd:Ba-Fe-O +mp-1228836,BaFe12O19,-7.9089522106,-1.7356298677000002,0.0557808278,0.0557808278,GGA+U,P6_3mc,AB12C19_hP64_186_b_2a4b2c_2a2b5c:Ba-Fe-O,64.0,"Invalid WP multiplicities - AB12C19_hP64_186_b_2a8b4c_4a4b9c:Ba-Fe-O, expected BaFe22O35 to be BaFe12O19" +mp-554293,BaFe12O19,-7.9093738784,-1.7360515355,0.05535916,0.05535916,GGA+U,P6_3/mmc,AB12C19_hP64_194_c_ab2fk_efh2k:Ba-Fe-O,64.0,"Invalid WP multiplicities - AB12C19_hP64_194_c_2a2b8f8k_3e4f6h21k:Ba-Fe-O, expected Ba(Fe34O79)2 to be BaFe12O19" +mp-879789,Ba8Fe8O21,-6.0505834846,-0.9967339674,1.2658568211,1.2658568211,GGA+U,P-1,A8B8C21_aP37_2_af3i_4i_bcdeg8i:Ba-Fe-O,37.0,"Invalid WP multiplicities - A8B8C21_aP37_2_af5i_7i_bcdeg13i:Ba-Fe-O, expected Ba12Fe14O31 to be Ba8Fe8O21" +mp-757601,Ba8Fe8O21,-7.2756472295,-2.2217977123,0.0407930763,0.0407930763,GGA+U,P-1,A8B8C21_aP37_2_af3i_4i_bcdeg8i:Ba-Fe-O,37.0,"Invalid WP multiplicities - A8B8C21_aP37_2_bd5i_7i_abc2f13i:Ba-Fe-O, expected Ba12Fe14O31 to be Ba8Fe8O21" +mp-1355687,Ba8Fe8O21,-6.9611565278,-1.9073070106,0.3552837779,0.3552837779,GGA+U,P-1,A8B8C21_aP37_2_ef3i_4i_abcdg8i:Ba-Fe-O,37.0,"Invalid WP multiplicities - A8B8C21_aP37_2_ef5i_7i_abcdg13i:Ba-Fe-O, expected Ba12Fe14O31 to be Ba8Fe8O21" +mp-1214471,BaFeO4,-6.7623588392,-1.7330670067,0.0652769341,0.0652769341,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Ba-Fe-O,24.0,ABC4_oP24_62_c_c_2cd:Ba-Fe-O +mp-654312,Ba2Fe2O5,-7.3314264914,-2.2746002852,0.0254269987,-0.0215634259,GGA+U,P2_1/c,A2B2C5_mP126_14_7e_7e_a17e:Ba-Fe-O,126.0,"Invalid WP multiplicities - A2B2C5_mP126_14_24e_25e_2a67e:Ba-Fe-O, expected Ba24Fe25O68 to be Ba2Fe2O5" +mp-1196071,Ba2Fe2O5,-7.3568534901,-2.3000272838,0.0,-0.0469904245,GGA+U,P2_1/c,A2B2C5_mP126_14_7e_7e_a17e:Ba-Fe-O,126.0,A2B2C5_mP126_14_7e_7e_a17e:Ba-Fe-O +mp-1076863,Ba2Fe2O5,-7.320425515,-2.2635993087,0.0364279751,-0.0105624494,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ba-Fe-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ba-Fe-O +mp-1183253,Ba2Fe2O5,-7.3453907983,-2.2885645921,0.0114626917,-0.0355277328,GGA+U,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Ba-Fe-O,18.0,A2B2C5_tP9_123_ab_h_ci:Ba-Fe-O +mp-19154,Ba(FeO2)2,-7.610649461399999,-2.0898248607,0.0,-0.0012877749,GGA+U,Cmc2_1,AB2C4_oC56_36_2a_2b_2a3b:Ba-Fe-O,28.0,AB2C4_oC56_36_2a_2b_2a3b:Ba-Fe-O +mp-558611,Ba(FeO2)2,-6.8820598822,-1.3612352815,0.7285895792,0.7273018042,GGA+U,Pnma,AB2C4_oP112_62_2cd_4d_2c7d:Ba-Fe-O,112.0,"Invalid WP multiplicities - AB2C4_oP112_62_7c5d_24d_7c49d:Ba-Fe-O, expected Ba17(Fe16O35)3 to be Ba(FeO2)2" +mp-19285,Ba(FeO2)2,-7.5752159907,-2.05439139,0.0354334707,0.0341456958,GGA+U,P6_322,AB2C4_hP14_182_b_f_cg:Ba-Fe-O,14.0,AB2C4_hP14_182_b_f_cg:Ba-Fe-O +mp-542120,Ba2FeO4,-6.978271275,-2.3933104271,0.0,-0.0275780777,GGA+U,P2_1/c,A2BC4_mP28_14_2e_e_4e:Ba-Fe-O,28.0,A2BC4_mP28_14_2e_e_4e:Ba-Fe-O +mp-1048495,Ba2Fe3O7,-7.1085117983,-1.7856089243,0.3333344804,0.3333344804,GGA+U,Pmm2,A2B3C7_oP12_25_e_bf_ae2f:Ba-Fe-O,12.0,A2B3C7_oP12_25_e_bf_ae2f:Ba-Fe-O +mp-705834,BaFe15O23,-7.7733703215,-1.5491874126,0.216110835,0.216110835,GGA+U,R-3m,AB15C23_hR234_166_c_a7cd2h_5c6h:Ba-Fe-O,78.0,"Invalid WP multiplicities - AB15C23_hR234_166_c_a14c3d8h_10c31h:Ba-Fe-O, expected BaFe43O103 to be BaFe15O23" +mp-1412406,Ba(FeO2)4,-7.3586824138,-1.5607924546,0.2539513815,0.2539513815,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Fe-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Fe-O +mp-1182448,Ba4Fe9O20,-7.4064673958,-1.8658654298,0.0855470282,0.0855470282,GGA+U,C2/m,A4B9C20_mC66_12_2i_abce2i_4i3j:Ba-Fe-O,33.0,A4B9C20_mC66_12_2i_abcf2i_4i3j:Ba-Fe-O +mp-1412163,Ba2Fe3O8,-7.0952067131,-1.80124339,0.1839580528,0.1839580528,GGA+U,P4/mmm,A2B3C8_tP13_123_h_ag_fgi:Ba-Fe-O,13.0,"Invalid WP multiplicities - A2B3C8_tP13_123_h_a2g_2f2g2i:Ba-Fe-O, expected Ba2Fe5O16 to be Ba2Fe3O8" +mp-754025,Ba3Fe3O8,-7.2653855579,-2.2124928336,0.0380647957,0.0380647957,GGA+U,Amm2,A3B3C8_oC56_38_ab2c_3c_abcde2f:Ba-Fe-O,28.0,"Invalid WP multiplicities - A3B3C8_oC56_38_ab2c_3c_abc2d2e4f:Ba-Fe-O, expected Ba3Fe3O14 to be Ba3Fe3O8" +mp-1196000,Ba3Fe3O8,-7.28102748,-2.2281347557,0.0224228736,0.0224228736,GGA+U,Cmcm,A3B3C8_oC112_63_2c2g_3g_2cd2e2gh:Ba-Fe-O,56.0,A3B3C8_oC112_63_2c2g_3g_2cd2e2gh:Ba-Fe-O +mp-1228400,Ba3FeRu2O9,-7.3809239977,-2.2278606969,0.0155965293,-0.0372556382,GGA+U,P6_3mc,A3BC9D2_hP30_186_a2b_b_3c_ab:Ba-Fe-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_186_a4b_b_5c_ab:Ba-Fe-O-Ru, expected Ba5FeRu2O15 to be Ba3FeRu2O9" +mp-1214638,Ba3FeRu2O9,-7.396520527,-2.2434572262,0.0,-0.0528521675,GGA+U,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Fe-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Fe-O-Ru +mp-542530,Ba5Fe5O14,-7.2319693719,-2.1820267591,0.0292478492,0.0292478492,GGA+U,Cmcm,A5B5C14_oC96_63_c2f_a2f_2c2f2h:Ba-Fe-O,48.0,A5B5C14_oC96_63_c2f_a2f_2c2f2h:Ba-Fe-O +mp-1201385,Ba3Fe26O41,-7.8849677752,-1.7593718689000002,0.0506883654,0.0506883654,GGA+U,P6_3/mmc,A3B26C41_hP140_194_bf_ac2e4f2k_e3fh5k:Ba-Fe-O,140.0,A3B26C41_hP140_194_bf_ac2e4f2k_e3fh5k:Ba-Fe-O +mp-31258,Pr2MoC2,-7.922927791,-0.14996927,0.0,-0.0043638079,GGA,P4_2/mnm,A2BC2_tP20_136_ce_f_j:C-Mo-Pr,20.0,A2BC2_tP20_136_ce_f_j:C-Mo-Pr +mp-21891,PrSi2Mo2C,-8.1798252683,-0.4212406804,0.0,-0.0088730046,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Mo-Pr-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Mo-Pr-Si +mp-31225,Pr2Mo2C3,-8.5944230418,-0.1745504407,0.0,-0.0375222844,GGA,P2_1/c,A3B2C2_mP28_14_3e_2e_2e:C-Mo-Pr,28.0,A3B2C2_mP28_14_3e_2e_2e:C-Mo-Pr +mp-1219981,Pr3(SiC)2,-6.5977604329,-0.3619483886,0.0916067727,0.0916067727,GGA,Cmmm,A2B3C2_oC14_65_j_ah_g:C-Pr-Si,7.0,A2B3C2_oC14_65_j_ah_g:C-Pr-Si +mp-770473,CaLaI5,-3.9138870093,-1.8698243329,0.0245175736,0.0245175736,GGA,Pnma,AB5C_oP28_62_c_5c_c:Ca-I-La,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_17c_c:Ca-I-La, expected CaLaI17 to be CaLaI5" +mp-772170,CaLaI5,-3.8629914368,-1.8189287604,0.0754131461,0.0754131461,GGA,Pnma,AB5C_oP28_62_c_5c_c:Ca-I-La,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_17c_c:Ca-I-La, expected CaLaI17 to be CaLaI5" +mp-772082,CaLaI5,-3.9133354229,-1.8692727464,0.02506916,0.02506916,GGA,Cmcm,AB5C_oC28_63_a_c2f_c:Ca-I-La,14.0,"Invalid WP multiplicities - AB5C_oC28_63_a_2c4f_c:Ca-I-La, expected CaLaI10 to be CaLaI5" +mp-755779,CaLaI5,-3.8658708807,-1.8218082043,0.0725337021,0.0725337021,GGA,Cmcm,AB5C_oC28_63_c_c2f_a:Ca-I-La,14.0,"Invalid WP multiplicities - AB5C_oC28_63_c_2c4f_a:Ca-I-La, expected CaLaI10 to be CaLaI5" +mp-31322,La6OsI10,-4.8628175965,-1.5935779753,0.0,-0.0076428949,GGA,P-1,A10B6C_aP17_2_5i_3i_a:I-La-Os,17.0,"Invalid WP multiplicities - A10B6C_aP17_2_6i_3i_a:I-La-Os, expected La6OsI12 to be La6OsI10" +mp-1205536,La2Os2I,-7.443615204,-0.68359212,0.0,-0.0592804152,GGA,P6_3/mmc,AB2C2_hP10_194_c_e_f:I-La-Os,10.0,AB2C2_hP10_194_c_e_f:I-La-Os +mp-541553,La10Os2I15,-5.0051367374,-1.52679225,0.0,-0.0050974849,GGA,P-1,A15B10C2_aP27_2_a7i_5i_i:I-La-Os,27.0,A15B10C2_aP27_2_a7i_5i_i:I-La-Os +mp-1229300,Ca3La32(OsI12)5,-4.7180879666,-1.6330095151,0.0,-0.0021674779,GGA,P-1,A3B60C32D5_aP100_2_bi_30i_16i_e2i:Ca-I-La-Os,100.0,"Invalid WP multiplicities - A3B60C32D5_aP100_2_b2i_60i_31i_e3i:Ca-I-La-Os, expected Ca5La62Os7I120 to be Ca3La32(OsI12)5" +mp-755678,Ca(LaI4)2,-3.9426665095,-1.7913442468,0.0937703332,0.0937703332,GGA,C2/c,AB8C2_mC44_15_e_4f_f:Ca-I-La,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_15f_f:Ca-I-La, expected Ca(LaI15)2 to be Ca(LaI4)2" +mp-1211014,La3OsI3,-5.6017234104,-1.2509394396,0.0,-0.0334711179,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-Os,28.0,A3B3C_cI56_214_h_g_a:I-La-Os +mp-570666,Mo3Pt2N,-9.2504367467,-0.4144847642,0.0,-0.0196558346,GGA,P4_132,A3BC2_cP24_213_d_a_c:Mo-N-Pt,24.0,A3BC2_cP24_213_d_a_c:Mo-N-Pt +mp-1221504,Mo3PdPtN,-9.0381285021,-0.3507184379,0.0,-0.0065068498,GGA,P2_13,A3BCD_cP24_198_b_a_a_a:Mo-N-Pd-Pt,24.0,A3BCD_cP24_198_b_a_a_a:Mo-N-Pd-Pt +mp-542154,Mo3Pd2N,-8.8128065579,-0.2739384121,0.0,-0.0398715008,GGA,P4_132,A3BC2_cP24_213_d_a_c:Mo-N-Pd,24.0,A3BC2_cP24_213_d_a_c:Mo-N-Pd +mp-1214513,Ba6Tb2Al4O15,-7.4825592946,-3.4097735232,0.0,-0.0132772353,GGA,P2/c,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Tb,54.0,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Tb +mp-18258,BaTb2O4,-8.0896012882,-3.6646781475,0.0,-0.0117817184,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Tb,28.0,AB4C2_oP28_62_c_4c_2c:Ba-O-Tb +mp-1182811,BaTbO3,-7.389091397,-3.1104099623,0.1061769988,0.1061769988,GGA,P-1,AB3C_aP10_2_i_3i_be:Ba-O-Tb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_be:Ba-O-Tb, expected BaTbO6 to be BaTbO3" +mp-20129,BaTbO3,-7.404464976,-3.1257835413,0.0908034198,0.0908034198,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-O-Tb,20.0,AB3C_oP20_62_c_cd_a:Ba-O-Tb +mp-5735,BaTbO3,-7.403501586,-3.1248201513,0.0917668098,0.0917668098,GGA,Imma,AB3C_oI20_74_e_eg_a:Ba-O-Tb,10.0,AB3C_oI20_74_e_eg_a:Ba-O-Tb +mp-2939,BaTbO3,-7.397871111,-3.1191896763,0.0973972848,0.0973972848,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ba-O-Tb,10.0,AB3C_tI20_140_b_ah_c:Ba-O-Tb +mp-548824,BaTbO3,-7.402091136,-3.1234097012,0.0931772598,0.0931772598,GGA,R-3c,AB3C_hR30_167_a_e_b:Ba-O-Tb,10.0,AB3C_hR30_167_a_e_b:Ba-O-Tb +mp-2929,BaTbO3,-7.374825732,-3.0961442972,0.1204426638,0.1204426638,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Tb,5.0,AB3C_cP5_221_a_c_b:Ba-O-Tb +mp-4434,TbAlO3,-8.3851686665,-3.7411670537,0.0090005248,0.0090005248,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Al-O-Tb +mp-14387,Tb3Al5O12,-8.2911857076,-3.6916236084,0.0,-0.028919722,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Al-O-Tb,80.0,A5B12C3_cI160_230_ad_h_c:Al-O-Tb +mp-1200490,Tb4Al2O9,-8.523383871,-3.8201295736,0.0080966317,0.0080966317,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Tb,60.0,A2B9C4_mP60_14_2e_9e_4e:Al-O-Tb +mp-1209091,RbTb3F10,-6.7228377075,-4.2943789898,0.0,-0.0543010404,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-Rb-Tb,28.0,A10BC3_cF112_225_fh_c_e:F-Rb-Tb +mp-1205542,Rb2NaTbF6,-5.520105101,-3.5814217667,0.0,-0.0314960355,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Tb +mp-1205915,Rb3TbF6,-5.397784121,-3.4932999088,0.0438308065,0.0438308065,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-Tb,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-Tb +mp-1209681,RbTbF5,-5.6223096164,-3.4548389007,0.0636892021,0.0636892021,GGA,P-1,A5BC_aP42_2_15i_3i_3i:F-Rb-Tb,42.0,A5BC_aP42_2_15i_3i_3i:F-Rb-Tb +mp-3010,Rb2TbF6,-5.3694379806,-3.3622926417,0.013126655,0.013126655,GGA,C2/c,A6B2C_mC36_15_3f_f_e:F-Rb-Tb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4f_f_e:F-Rb-Tb, expected Rb2TbF8 to be Rb2TbF6" +mp-1110926,K3NdBr6,-3.865647429,-2.1238960036,0.094441157,0.094441157,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Nd,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Nd +mp-972524,SmSiAg,-4.8748760856,-0.5493893628000001,0.0,-0.0381724762,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Si-Sm,9.0,ABC_hP9_189_f_bc_g:Ag-Si-Sm +mp-37923,Sm5AgS8,-6.366669955,-2.115449554,0.0225880606,0.0225880606,GGA,I-4,AB8C5_tI28_82_a_2g_cg:Ag-S-Sm,14.0,"Invalid WP multiplicities - AB8C5_tI28_82_a_5g_c2g:Ag-S-Sm, expected Sm9AgS20 to be Sm5AgS8" +mp-567600,Sm(SiAg)2,-4.644907642,-0.3980408017,0.0,-0.068407184,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Ag-Si-Sm +mp-863032,Sm3SiAgS7,-6.0639314346,-1.7831996424,0.0,-0.0203258378,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Ag-S-Si-Sm,24.0,AB7CD3_hP24_173_a_b2c_b_c:Ag-S-Si-Sm +mp-1041708,Mn3(AsO4)4,-6.9456019730000005,-1.4991002828,0.1723025052,0.1723025052,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Mn-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Mn-O, expected Mn3(As5O29)2 to be Mn3(AsO4)4" +mp-1198289,Mn5(AsO5)4,-7.1354113059,-1.5016070195,0.1977837716,0.1977837716,GGA+U,C2/c,A4B5C20_mC116_15_2f_e2f_10f:As-Mn-O,58.0,A4B5C20_mC116_15_2f_e2f_10f:As-Mn-O +mp-1047359,Sb3(AsO4)4,-6.2600786487,-1.4700570522,0.254727673,0.254727673,GGA,P2_1/c,A4B16C3_mP46_14_2e_8e_ae:As-O-Sb,46.0,"Invalid WP multiplicities - A4B16C3_mP46_14_5e_29e_ae:As-O-Sb, expected Sb3(As5O29)2 to be Sb3(AsO4)4" +mp-1203335,Mn3AsO8,-7.655010006,-1.6784538418,0.1386831123,0.1386831123,GGA+U,Pnma,AB3C8_oP48_62_c_ad_2c3d:As-Mn-O,48.0,AB3C8_oP48_62_c_ad_2c3d:As-Mn-O +mp-1203032,Mn7(AsO4)6,-7.5530662127,-1.8555163061,0.029181529,0.029181529,GGA+U,P-1,A6B7C24_aP37_2_3i_a3i_12i:As-Mn-O,37.0,A6B7C24_aP37_2_3i_a3i_12i:As-Mn-O +mp-1205062,Mn2AsO5,-7.9202963041,-1.9557222359,0.0,-0.0169626408,GGA+U,Pnnm,AB2C5_oP32_58_g_eg_3gh:As-Mn-O,32.0,AB2C5_oP32_58_g_eg_3gh:As-Mn-O +mp-1196798,Mn7(AsO8)2,-7.924741248,-1.8207667186,0.0812996413,0.0812996413,GGA+U,P2_1/c,A2B7C16_mP50_14_e_a3e_8e:As-Mn-O,50.0,A2B7C16_mP50_14_e_a3e_8e:As-Mn-O +mp-28109,SbAsO3,-6.4261552835,-1.7005181278,0.0,-0.0093437252,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:As-O-Sb,20.0,AB3C_mP20_14_e_3e_e:As-O-Sb +mp-1042875,MnAs2O7,-6.8296375430000005,-1.5189302349,0.1321812509,0.1321812509,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Mn-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Mn-O +mp-1205143,Mn5(AsO8)2,-7.2293086639,-1.3912507226,0.2692385161,0.2692385161,GGA+U,P2_1/c,A2B5C16_mP46_14_e_a2e_8e:As-Mn-O,46.0,A2B5C16_mP46_14_e_a2e_8e:As-Mn-O +mp-1189523,Mn3(AsO7)2,-6.7215153679,-1.139519334,0.3000166488,0.3000166488,GGA+U,P1,A2B3C14_aP19_1_2a_3a_14a:As-Mn-O,19.0,A2B3C14_aP19_1_2a_3a_14a:As-Mn-O +mp-7784,SbAsO4,-6.4925480942,-1.7300690125,0.0104231422,0.0104231422,GGA,P2_1/m,AB4C_mP12_11_e_2ef_e:As-O-Sb,12.0,AB4C_mP12_11_e_2ef_e:As-O-Sb +mp-557471,MnAsO4,-7.4251081204,-1.8237933634,0.0038024088,0.0038024088,GGA+U,P2_1/c,ABC4_mP24_14_e_ad_4e:As-Mn-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_ad_13e:As-Mn-O, expected MnAsO13 to be MnAsO4" +mp-510755,MnAsO4,-7.3975879242,-1.7962731672,0.031322605,0.031322605,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:As-Mn-O,24.0,ABC4_oP24_62_c_c_2cd:As-Mn-O +mp-1221734,Mn4Sb3As,-6.8388426175,-0.1270697058,0.0353393056,0.0353393056,GGA,P-6m2,AB4C3_hP8_187_a_2h_bi:As-Mn-Sb,8.0,"Invalid WP multiplicities - AB4C3_hP8_187_a_3h_bi:As-Mn-Sb, expected Mn6Sb3As to be Mn4Sb3As" +mp-1221528,Mn2SbAs,-6.9255605125,-0.1475229552,0.0509405912,0.0509405912,GGA,P-6m2,AB2C_hP4_187_a_i_d:As-Mn-Sb,4.0,AB2C_hP4_187_a_i_d:As-Mn-Sb +mp-1201829,MnAsO5,-6.7995866914,-1.291789941,0.2747207209,0.2747207209,GGA+U,P2_1,ABC5_mP56_4_4a_4a_20a:As-Mn-O,56.0,ABC5_mP56_4_4a_4a_20a:As-Mn-O +mp-699691,Mn7SbAsO12,-8.3035590888,-2.00439284,0.0,-0.0344842527,GGA+U,Imma,AB7C12D_oI84_74_e_af2i_h3ij_c:As-Mn-O-Sb,42.0,"Invalid WP multiplicities - AB7C12D_oI84_74_e_2a4f7i_4h10i5j_c:As-Mn-O-Sb, expected Mn24SbAsO48 to be Mn7SbAsO12" +mp-19409,Mn(AsO3)2,-7.1857221364,-1.8345683175,0.0,-0.0636236926,GGA+U,P-31m,A2BC6_hP9_162_c_b_k:As-Mn-O,36.0,A2BC6_hP9_162_c_b_k:As-Mn-O +mp-1204415,Mn5(AsO6)2,-7.8528509821,-1.8271363608,0.1050525962,0.1050525962,GGA+U,P2_12_12_1,A2B5C12_oP76_19_2a_5a_12a:As-Mn-O,76.0,A2B5C12_oP76_19_2a_5a_12a:As-Mn-O +mp-1221906,Mn2As2O7,-7.5650750723,-1.9042488566,0.0,-0.0178019311,GGA+U,P1,A2B2C7_aP11_1_2a_2a_7a:As-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_aP11_1_2a_4a_7a:As-Mn-O, expected Mn4As2O7 to be Mn2As2O7" +mp-1541585,Mn2As2O7,-7.5635250918,-1.9026988761,0.0015499805,-0.0162519507,GGA+U,C2,A2B2C7_mC22_5_c_2a_b3c:As-Mn-O,11.0,"Invalid WP multiplicities - A2B2C7_mC22_5_c_2a_b4c:As-Mn-O, expected Mn2As2O9 to be Mn2As2O7" +mp-19290,Mn2As2O7,-7.5629985395,-1.9021723238,0.0020765327,-0.0157253984,GGA+U,C2/m,A2B2C7_mC22_12_i_h_aij:As-Mn-O,22.0,A2B2C7_mC22_12_i_h_aij:As-Mn-O +mp-1221724,Mn4SbAs,-7.56643839,0.0062584122,0.1385674432,0.1385674432,GGA,P4mm,AB4C_tP6_99_a_abc_b:As-Mn-Sb,6.0,AB4C_tP6_99_a_abc_b:As-Mn-Sb +mp-1199645,Mn2As2O9,-7.0408358483,-1.4898769409,0.1971345411,0.1971345411,GGA+U,P2_1/c,A2B2C9_mP52_14_2e_2e_9e:As-Mn-O,52.0,A2B2C9_mP52_14_2e_2e_9e:As-Mn-O +mp-752598,Mn(AsO2)2,-7.22865553,-1.7619402518,0.0,-0.0320902632,GGA+U,P4_2/mbc,A2BC4_tP28_135_h_d_gh:As-Mn-O,28.0,A2BC4_tP28_135_h_d_gh:As-Mn-O +mp-1042380,SbAs2O7,-6.3249785838,-1.5175726809,0.1743730515,0.1743730515,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-Sb,40.0,A2B7C_mP40_14_2e_7e_e:As-O-Sb +mp-14368,SbAsO5,-6.5244491657,-1.7356544227,0.0,-0.0991991034,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:As-O-Sb,28.0,AB5C_oP28_19_a_5a_a:As-O-Sb +mp-1340007,SbAsO5,-6.3462280154,-1.5574332723,0.1782211504,0.079022047,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:As-O-Sb,28.0,AB5C_oP28_19_a_5a_a:As-O-Sb +mp-1206564,SmRe2SiC,-9.294230505,-0.4419056995,0.0,-0.0325173415,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Sm +mp-1104658,Sm(Re2Si)2,-9.7686488336,-0.4333158429,0.0,-0.1016615231,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Re-Si-Sm,14.0,A4B2C_tP14_136_i_f_a:Re-Si-Sm +mp-1197504,Sm2Re3Si5,-7.9346679243,-0.5449335268000001,0.0,-0.029115981,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Re-Si-Sm,40.0,A3B5C2_tP40_128_dh_egh_h:Re-Si-Sm +mp-1025249,Sm2Re2Si2C,-8.3445811786,-0.5723628654,0.0,-0.0402294446,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Sm,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Sm +mp-978850,Sm2ReC2,-8.391433641,-0.323627553,0.0,-0.1590933121,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Re-Sm,20.0,A2BC2_oP20_62_2c_c_2c:C-Re-Sm +mp-1222887,Li2Ti3(GaO4)3,-7.5264242863,-2.728980567,0.0850834529,0.0850834529,GGA,C2/m,A3B2C12D3_mC80_12_hj_ace_2i5j_gj:Ga-Li-O-Ti,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_12_gj_ade_4i8j_hj:Ga-Li-O-Ti, expected Li2Ti3Ga3O20 to be Li2Ti3(GaO4)3" +mp-553991,Ti(GaO2)4,-7.1348151723,-2.5516316495,0.0026036738,0.0026036738,GGA,C2/m,A4B8C_mC26_12_2i_4i_a:Ga-O-Ti,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_3i_6i_a:Ga-O-Ti, expected Ti(GaO2)6 to be Ti(GaO2)4" +mp-1101038,TiGa2O5,-7.5301350334,-2.6944940812,0.0375382909,0.0375382909,GGA,P2_1,A2B5C_mP32_4_4a_10a_2a:Ga-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_mP32_4_7a_19a_3a:Ga-O-Ti, expected Ti3Ga7O19 to be TiGa2O5" +mp-752733,TiGa2O5,-7.4907554494,-2.6551144971,0.076917875,0.076917875,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Ga-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e4f_c:Ga-O-Ti, expected Ti(GaO5)2 to be TiGa2O5" +mp-760501,TiGa2O5,-7.5286090944,-2.6929681421,0.03906423,0.03906423,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Ga-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Ga-O-Ti, expected TiGa2O9 to be TiGa2O5" +mp-1228598,Ba2ScAlO5,-7.666751297,-3.3723692558,0.0662846765,0.0662846765,GGA,Cm,AB2C5D_mC54_8_3a_6a_5a5b_3a:Al-Ba-O-Sc,27.0,"Invalid WP multiplicities - AB2C5D_mC54_8_3a_6a_5a9b_3a:Al-Ba-O-Sc, expected Ba6Sc3Al3O23 to be Ba2ScAlO5" +mp-559325,Ba7Sc6Al2O19,-8.0201280593,-3.5228964009,0.0,-0.0190594,GGA,P6_3/mmc,A2B7C19D6_hP68_194_f_be2f_c3k_e2f:Al-Ba-O-Sc,68.0,"Invalid WP multiplicities - A2B7C19D6_hP68_194_f_2b3e7f_2c29k_3e7f:Al-Ba-O-Sc, expected Ba11Sc10AlO88 to be Ba7Sc6Al2O19" +mp-690530,Li2Co4O5,-6.1921394558,-1.0117248676,0.4965113781,0.4965113781,GGA+U,Cm,A4B2C5_mC66_8_6a3b_4ab_7a4b:Co-Li-O,33.0,"Invalid WP multiplicities - A4B2C5_mC66_8_6a5b_4ab_7a6b:Co-Li-O, expected Li6Co16O19 to be Li2Co4O5" +mp-756236,Li3Co2(GeO4)2,-6.532700522,-1.9485025493,0.0610399874,0.0610399874,GGA+U,P1,A2B2C3D8_aP15_1_2a_2a_3a_8a:Co-Ge-Li-O,15.0,A2B2C3D8_aP15_1_2a_2a_3a_8a:Co-Ge-Li-O +mp-753224,Li3Co2(GeO4)2,-6.535036614,-1.9508386413,0.0587038954,0.0587038954,GGA+U,P1,A2B2C3D8_aP15_1_2a_2a_3a_8a:Co-Ge-Li-O,15.0,A2B2C3D8_aP15_1_2a_2a_3a_8a:Co-Ge-Li-O +mp-760135,Li5(CoO2)4,-6.2241922915,-1.6623455148,0.0950159845,0.0950159845,GGA+U,P1,A4B5C8_aP68_1_16a_20a_32a:Co-Li-O,68.0,A4B5C8_aP68_1_16a_20a_32a:Co-Li-O +mp-779758,Li5(CoO2)4,-6.1970626779,-1.6352159013,0.1221455981,0.1221455981,GGA+U,Cmc2_1,A4B5C8_oC68_36_2ab_3ab_4a2b:Co-Li-O,34.0,"Invalid WP multiplicities - A4B5C8_hP34_186_bc_2a2b3c_2a2b10c:Co-Li-O, expected Li13(Co2O17)2 to be Li5(CoO2)4" +mp-780140,Li5(CoO2)4,-6.2183016271,-1.6564548504,0.1009066489,0.1009066489,GGA+U,P6_3mc,A4B5C8_hP34_186_bc_abc_ab2c:Co-Li-O,34.0,"Invalid WP multiplicities - A4B5C8_hP34_186_bc_2a2b3c_2a2b10c:Co-Li-O, expected Li13(Co2O17)2 to be Li5(CoO2)4" +mp-27920,Li8CoO6,-5.412121016,-1.9414654829,0.0084953063,0.0084953063,GGA+U,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Co-Li-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_b2c_2a3bc:Co-Li-O, expected Li8CoO11 to be Li8CoO6" +mp-1638660,Li8(CoO2)5,-6.0747110622,-1.7147171917,0.0484766472,0.0484766472,GGA+U,P1,A5B8C10_aP23_1_5a_8a_10a:Co-Li-O,23.0,A5B8C10_aP23_1_5a_8a_10a:Co-Li-O +mp-752627,Li8(CoO2)5,-6.0727732891,-1.7127794187,0.0504144202,0.0504144202,GGA+U,P-1,A5B8C10_aP46_2_bd4i_8i_10i:Co-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_bd6i_13i_17i:Co-Li-O, expected Li13Co7O17 to be Li8(CoO2)5" +mp-1646718,Li8(CoO2)5,-6.068850052,-1.7088561815,0.0543376574,0.0543376574,GGA+U,P-1,A5B8C10_aP46_2_bd4i_8i_10i:Co-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_bd7i_15i_19i:Co-Li-O, expected Li15Co8O19 to be Li8(CoO2)5" +mp-1640123,Li8(CoO2)5,-6.0739846522,-1.7139907817000002,0.0492030572,0.0492030572,GGA+U,P-1,A5B8C10_aP46_2_5i_8i_10i:Co-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_10i_16i_17i:Co-Li-O, expected Li16Co10O17 to be Li8(CoO2)5" +mp-1641030,Li8(CoO2)5,-6.0725174278,-1.7125235574,0.0506702815,0.0506702815,GGA+U,P-1,A5B8C10_aP46_2_bd4i_8i_10i:Co-Li-O,46.0,"Invalid WP multiplicities - A5B8C10_aP46_2_bd7i_13i_17i:Co-Li-O, expected Li13Co8O17 to be Li8(CoO2)5" +mp-1176858,Li8(CoO2)5,-6.0020071109,-1.6420132404,0.1211805985,0.1211805985,GGA+U,Cm,A5B8C10_mC46_8_5a_8a_10a:Co-Li-O,23.0,A5B8C10_mC46_8_5a_8a_10a:Co-Li-O +mp-754754,Li8(CoO2)5,-6.0050707313,-1.6450768608000002,0.1181169781,0.1181169781,GGA+U,C2/m,A5B8C10_mC46_12_a2i_4i_5i:Co-Li-O,23.0,"Invalid WP multiplicities - A5B8C10_mC46_12_a4i_7i_8i:Co-Li-O, expected Li14Co9O16 to be Li8(CoO2)5" +mp-1175376,Li9Co7O16,-6.289494345,-1.7243209155,0.0392365984,0.0392365984,GGA+U,P1,A7B9C16_aP32_1_7a_9a_16a:Co-Li-O,32.0,A7B9C16_aP32_1_7a_9a_16a:Co-Li-O +mp-1175482,Li9Co7O16,-6.23352435,-1.6683509205,0.0952065934,0.0952065934,GGA+U,P1,A7B9C16_aP32_1_7a_9a_16a:Co-Li-O,32.0,A7B9C16_aP32_1_7a_9a_16a:Co-Li-O +mp-1175381,Li9Co7O16,-6.3183617159,-1.7531882864,0.0103692275,0.0103692275,GGA+U,P-1,A7B9C16_aP32_2_a3i_bcg3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_bcg6i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175400,Li9Co7O16,-6.2644600184,-1.6992865889000002,0.064270925,0.064270925,GGA+U,P-1,A7B9C16_aP32_2_a3i_beh3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_beh6i_16i:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175401,Li9Co7O16,-6.2856377122,-1.7204642827,0.0430932313,0.0430932313,GGA+U,P-1,A7B9C16_aP32_2_b3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b5i_c7i_16i:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175405,Li9Co7O16,-6.2811712856,-1.7159978561,0.0475596578,0.0475596578,GGA+U,P-1,A7B9C16_aP32_2_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_c6i_16i:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175409,Li9Co7O16,-6.3199602528,-1.7547868233,0.0087706906,0.0087706906,GGA+U,P-1,A7B9C16_aP32_2_a3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_d8i_15i:Co-Li-O, expected Li17(Co3O10)3 to be Li9Co7O16" +mp-1175410,Li9Co7O16,-6.2752871447,-1.7101137152,0.0534437988,0.0534437988,GGA+U,P-1,A7B9C16_aP32_2_abc2i_g4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_abc4i_g8i_16i:Co-Li-O, expected Li17Co11O32 to be Li9Co7O16" +mp-1175413,Li9Co7O16,-6.2763986316,-1.711225202,0.0523323119,0.0523323119,GGA+U,P-1,A7B9C16_aP32_2_abc2i_g4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_abc3i_g7i_15i:Co-Li-O, expected Li5Co3O10 to be Li9Co7O16" +mp-1175416,Li9Co7O16,-6.2399666956,-1.6747932661,0.0887642478,0.0887642478,GGA+U,P-1,A7B9C16_aP32_2_a3i_e4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_e7i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175419,Li9Co7O16,-6.3197928959,-1.7546194664,0.0089380475,0.0089380475,GGA+U,P-1,A7B9C16_aP32_2_bce2i_f4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_bce4i_f8i_16i:Co-Li-O, expected Li17Co11O32 to be Li9Co7O16" +mp-1175428,Li9Co7O16,-6.2831408369,-1.7179674073,0.0455901066,0.0455901066,GGA+U,P-1,A7B9C16_aP32_2_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_c7i_16i:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175429,Li9Co7O16,-6.2466718325,-1.681498403,0.0820591109,0.0820591109,GGA+U,P-1,A7B9C16_aP32_2_b3i_cef3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b6i_cef6i_16i:Co-Li-O, expected Li15Co13O32 to be Li9Co7O16" +mp-1175430,Li9Co7O16,-6.2655528378,-1.7003794083,0.0631781056,0.0631781056,GGA+U,P-1,A7B9C16_aP32_2_b3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b3i_c6i_16i:Co-Li-O, expected Li13Co7O32 to be Li9Co7O16" +mp-1175435,Li9Co7O16,-6.2285878322,-1.6634144027,0.1001431112,0.1001431112,GGA+U,P-1,A7B9C16_aP32_2_a3i_bcg3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_bcg6i_16i:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175440,Li9Co7O16,-6.2501310675,-1.6849576380000002,0.0785998759,0.0785998759,GGA+U,P-1,A7B9C16_aP32_2_abe2i_h4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_abe3i_h6i_16i:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175443,Li9Co7O16,-6.2346287625,-1.6694553330000002,0.0941021809,0.0941021809,GGA+U,P-1,A7B9C16_aP32_2_b3i_e4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b5i_e6i_16i:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175444,Li9Co7O16,-6.266863905,-1.7016904755,0.0618670384,0.0618670384,GGA+U,P-1,A7B9C16_aP32_2_b3i_cdh3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b4i_cdh6i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175451,Li9Co7O16,-6.2475664322,-1.6823930027,0.0811645112,0.0811645112,GGA+U,P-1,A7B9C16_aP32_2_acd2i_e4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_acd3i_e7i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175464,Li9Co7O16,-6.2315257437,-1.6663523142,0.0972051997,0.0972051997,GGA+U,P-1,A7B9C16_aP32_2_b3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b3i_d7i_16i:Co-Li-O, expected Li15Co7O32 to be Li9Co7O16" +mp-1175467,Li9Co7O16,-6.2759516912,-1.7107782617,0.0527792522,0.0527792522,GGA+U,P-1,A7B9C16_aP32_2_a3i_cde3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_cde5i_16i:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175469,Li9Co7O16,-6.3211305894,-1.7559571598,0.0076003541,0.0076003541,GGA+U,P-1,A7B9C16_aP32_2_b3i_e4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b4i_e8i_16i:Co-Li-O, expected Li17Co9O32 to be Li9Co7O16" +mp-1175472,Li9Co7O16,-6.24192077,-1.6767473405,0.0868101734,0.0868101734,GGA+U,P-1,A7B9C16_aP32_2_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_c7i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175476,Li9Co7O16,-6.236549395,-1.6713759655,0.0921815484,0.0921815484,GGA+U,P-1,A7B9C16_aP32_2_a3i_beh3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_beh6i_15i:Co-Li-O, expected Li5Co3O10 to be Li9Co7O16" +mp-1175488,Li9Co7O16,-6.2812931797000005,-1.7161197502,0.0474377637,0.0474377637,GGA+U,P-1,A7B9C16_aP32_2_adg2i_bcefh2i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_adg3i_bcefh4i_16i:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175493,Li9Co7O16,-6.1768583631,-1.6116849336,0.1518725803,0.1518725803,GGA+U,P-1,A7B9C16_aP32_2_a3i_bcg3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_bcg6i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175500,Li9Co7O16,-6.2434885212,-1.6783150917,0.0852424222,0.0852424222,GGA+U,P-1,A7B9C16_aP32_2_abc2i_g4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_abc2i_g8i_15i:Co-Li-O, expected Li17Co7O30 to be Li9Co7O16" +mp-1175505,Li9Co7O16,-6.263623505,-1.6984500755,0.0651074384,0.0651074384,GGA+U,P-1,A7B9C16_aP32_2_b3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a4i_c8i_15i:Co-Li-O, expected Li17(Co3O10)3 to be Li9Co7O16" +mp-1175507,Li9Co7O16,-6.2603096503,-1.6951362208,0.0684212931,0.0684212931,GGA+U,P-1,A7B9C16_aP32_2_a3i_cde3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a5i_cde6i_16i:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175517,Li9Co7O16,-6.2335236919,-1.6683502623000002,0.0952072516,0.0952072516,GGA+U,P-1,A7B9C16_aP32_2_a3i_b4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_a4i_b6i_16i:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175519,Li9Co7O16,-6.2656900619,-1.7005166323,0.0630408816,0.0630408816,GGA+U,P-1,A7B9C16_aP32_2_acf2i_h4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_acf2i_h7i_16i:Co-Li-O, expected Li15Co7O32 to be Li9Co7O16" +mp-1175521,Li9Co7O16,-6.2551576247,-1.6899841952,0.0735733188,0.0735733188,GGA+U,P-1,A7B9C16_aP32_2_b3i_cef3i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_aP32_2_b6i_cef6i_16i:Co-Li-O, expected Li15Co13O32 to be Li9Co7O16" +mp-1175392,Li9Co7O16,-6.2774883494,-1.7123149198,0.0512425941,0.0512425941,GGA+U,P2/m,A7B9C16_mP32_10_abgjk_hmno_2m2n2o:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_abd2k2l_emn2o_4m4n8o:Co-Li-O, expected Li13Co11O48 to be Li9Co7O16" +mp-1175394,Li9Co7O16,-6.2684280434,-1.7032546139,0.0603029,0.0603029,GGA+U,P2/m,A7B9C16_mP32_10_abgo_hjkmn_2m2n2o:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_abd3o_ek2lm2n_4m4n6o:Co-Li-O, expected Li13(Co3O8)5 to be Li9Co7O16" +mp-1175396,Li9Co7O16,-6.25853391,-1.6933604805,0.0701970334,0.0701970334,GGA+U,P2/m,A7B9C16_mP32_10_am2n_cdgm2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_am2n_cdg2m3n_8m8n:Co-Li-O, expected Li13Co7O32 to be Li9Co7O16" +mp-1175449,Li9Co7O16,-6.2607633503,-1.6955899208,0.0679675931,0.0679675931,GGA+U,P2/m,A7B9C16_mP32_10_acd2n_g2m2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_acd3n_g4m2n_8m8n:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175450,Li9Co7O16,-6.2685516538,-1.7033782242000002,0.0601792897,0.0601792897,GGA+U,P2/m,A7B9C16_mP32_10_am2n_cdgm2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_a2m2n_cdg2m3n_8m8n:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175459,Li9Co7O16,-6.2508779666,-1.685704537,0.0778529769,0.0778529769,GGA+U,P2/m,A7B9C16_mP32_10_am2n_ceh2mn_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_am3n_ceh4mn_8m8n:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1175463,Li9Co7O16,-6.2449860412,-1.6798126117,0.0837449022,0.0837449022,GGA+U,P2/m,A7B9C16_mP32_10_b2mn_cdhm2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_b3m2n_ceg2m4n_8m8n:Co-Li-O, expected Li15Co11O32 to be Li9Co7O16" +mp-1175491,Li9Co7O16,-6.2106643859,-1.6454909564,0.1180665575,0.1180665575,GGA+U,P2/m,A7B9C16_mP32_10_bcdmn_h2m2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_bcem2n_g4m4n_8m8n:Co-Li-O, expected Li17Co9O32 to be Li9Co7O16" +mp-1175506,Li9Co7O16,-6.3046158497,-1.7394424202,0.0241150937,0.0241150937,GGA+U,P2/m,A7B9C16_mP32_10_ai2j_bgh2kl_mn3o:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_a2i3j_bcf2k4l_2m2n12o:Co-Li-O, expected Li15Co11O56 to be Li9Co7O16" +mp-1175529,Li9Co7O16,-6.2578644753,-1.6926910458000002,0.0708664681,0.0708664681,GGA+U,P2/m,A7B9C16_mP32_10_acemn_h2m2n_4m4n:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mP32_10_acemn_h3m3n_8m8n:Co-Li-O, expected Li13Co7O32 to be Li9Co7O16" +mp-1175379,Li9Co7O16,-6.2787021687,-1.7135287392,0.0500287747,0.0500287747,GGA+U,C2/m,A7B9C16_mC64_12_agj_bf2hi_2i3j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_ag2j_b2e4h2i_4i12j:Co-Li-O, expected Li17Co11O56 to be Li9Co7O16" +mp-1175380,Li9Co7O16,-6.2757430834,-1.7105696539,0.05298786,0.05298786,GGA+U,C2/m,A7B9C16_mC64_12_ag2h_bfij_2i3j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_ag3h_bei2j_4i10j:Co-Li-O, expected Li13(Co3O16)3 to be Li9Co7O16" +mp-1175382,Li9Co7O16,-6.2725612178,-1.7073877883000002,0.0561697256,0.0561697256,GGA+U,C2/m,A7B9C16_mC64_12_agj_bcdhj_2i3j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_ag2j_bcdh2j_4i10j:Co-Li-O, expected Li13Co11O48 to be Li9Co7O16" +mp-1175383,Li9Co7O16,-6.2676227484,-1.7024493189,0.061108195,0.061108195,GGA+U,C2/m,A7B9C16_mC64_12_aij_bcdij_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_ai2j_bcd2i3j_8i8j:Co-Li-O, expected Li19Co11O48 to be Li9Co7O16" +mp-1175390,Li9Co7O16,-6.270676475,-1.7055030455,0.0580544684,0.0580544684,GGA+U,C2/m,A7B9C16_mC64_12_aij_beh2i_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a2i3j_bf2h3i_8i6j:Co-Li-O, expected Li13Co17O40 to be Li9Co7O16" +mp-1175415,Li9Co7O16,-6.2919068578,-1.7267334283,0.0368240856,0.0368240856,GGA+U,C2/m,A7B9C16_mC64_12_aehi_b2ij_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_af2hi_b3i2j_8i8j:Co-Li-O, expected Li5Co3O16 to be Li9Co7O16" +mp-1175418,Li9Co7O16,-6.2943971281,-1.7292236986,0.0343338153,0.0343338153,GGA+U,C2/m,A7B9C16_mC64_12_aehi_b2ij_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a2f2hi_b2i2j_8i7j:Co-Li-O, expected Li13(CoO4)11 to be Li9Co7O16" +mp-1175436,Li9Co7O16,-6.2676634478,-1.7024900183,0.0610674956,0.0610674956,GGA+U,C2/m,A7B9C16_mC64_12_aij_beh2i_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_ai2j_bfh4i_8i4j:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175445,Li9Co7O16,-6.2708590284,-1.7056855989000002,0.057871915,0.057871915,GGA+U,C2/m,A7B9C16_mC64_12_aij_bcdij_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a2i3j_bcd2i3j_8i8j:Co-Li-O, expected Li19Co17O48 to be Li9Co7O16" +mp-1175447,Li9Co7O16,-6.2719203778,-1.7067469483000002,0.0568105656,0.0568105656,GGA+U,C2/m,A7B9C16_mC64_12_abcj_def2i_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_abc2j_def4i_8i4j:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175471,Li9Co7O16,-6.2390948594,-1.6739214298,0.0896360841,0.0896360841,GGA+U,C2/m,A7B9C16_mC64_12_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a4i_d6i_15i:Co-Li-O, expected Li13(Co3O10)3 to be Li9Co7O16" +mp-1175480,Li9Co7O16,-6.2632939378,-1.6981205083000002,0.0654370056,0.0654370056,GGA+U,C2/m,A7B9C16_mC64_12_abcj_d2ij_4i2j:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_abc3j_d3i3j_8i6j:Co-Li-O, expected Li19(Co3O8)5 to be Li9Co7O16" +mp-1175492,Li9Co7O16,-6.2610696581,-1.6958962286,0.0676612853,0.0676612853,GGA+U,C2/m,A7B9C16_mC64_12_a3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a4i_c7i_16i:Co-Li-O, expected Li15Co9O32 to be Li9Co7O16" +mp-1175497,Li9Co7O16,-6.2158080356,-1.6506346061,0.1129229078,0.1129229078,GGA+U,C2/m,A7B9C16_mC64_12_a3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a5i_c6i_16i:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175514,Li9Co7O16,-6.1988119078,-1.6336384783,0.1299190356,0.1299190356,GGA+U,C2/m,A7B9C16_mC64_12_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a5i_c6i_16i:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175515,Li9Co7O16,-6.1822254266,-1.617051997,0.1465055169,0.1465055169,GGA+U,C2/m,A7B9C16_mC64_12_a3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a5i_c7i_15i:Co-Li-O, expected Li15Co11O30 to be Li9Co7O16" +mp-1175571,Li9Co7O16,-6.2829998856,-1.7178264561,0.0457310578,0.0457310578,GGA+U,C2/m,A7B9C16_mC64_12_a3i_c4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a4i_d6i_16i:Co-Li-O, expected Li13Co9O32 to be Li9Co7O16" +mp-1176084,Li9Co7O16,-6.1521224666,-1.586949037,0.1766084769,0.1766084769,GGA+U,C2/m,A7B9C16_mC64_12_a3i_d4i_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_mC64_12_a5i_c6i_16i:Co-Li-O, expected Li13Co11O32 to be Li9Co7O16" +mp-1175466,Li9Co7O16,-6.2573734637000005,-1.6922000342,0.0713574797,0.0713574797,GGA+U,R-3m,A7B9C16_hR96_166_ade_bch_2c2h:Co-Li-O,32.0,"Invalid WP multiplicities - A7B9C16_hR96_166_a2d3e_b2ch_4c11h:Co-Li-O, expected Li11(Co8O37)2 to be Li9Co7O16" +mp-769483,Li11(CoO4)2,-5.4773377457,-1.9159902784,0.0239640206,0.0239640206,GGA+U,C222_1,A2B11C8_oC84_20_ab_2ab4c_4c:Co-Li-O,42.0,"Invalid WP multiplicities - A2B11C8_oC84_20_ab_2a4b13c_14c:Co-Li-O, expected Li16CoO14 to be Li11(CoO4)2" +mp-1651230,Li7Co5O12,-6.2129255154,-1.7019124497,0.0653073525,0.0653073525,GGA+U,P1,A5B7C12_aP48_1_10a_14a_24a:Co-Li-O,48.0,A5B7C12_aP48_1_10a_14a_24a:Co-Li-O +mp-1666632,Li7Co5O12,-6.2084391131,-1.6974260474,0.0697937548,0.0697937548,GGA+U,P1,A5B7C12_aP48_1_10a_14a_24a:Co-Li-O,48.0,A5B7C12_aP48_1_10a_14a_24a:Co-Li-O +mp-1174223,Li7Co5O12,-6.2226857592,-1.7116726935000002,0.0555471087,0.0555471087,GGA+U,P-1,A5B7C12_aP24_2_a2i_cfh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_cfh4i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174229,Li7Co5O12,-6.213951705,-1.7029386393,0.0642811629,0.0642811629,GGA+U,P-1,A5B7C12_aP24_2_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_c5i_11i:Co-Li-O, expected Li11Co7O22 to be Li7Co5O12" +mp-1174245,Li7Co5O12,-6.1737570679000005,-1.6627440022000002,0.1044758,0.1044758,GGA+U,P-1,A5B7C12_aP24_2_a2i_beh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_beh4i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174246,Li7Co5O12,-6.2622694979,-1.7512564322,0.01596337,0.01596337,GGA+U,P-1,A5B7C12_aP24_2_a2i_d3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_d5i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174265,Li7Co5O12,-6.2245630346,-1.7135499689,0.0536698333,0.0536698333,GGA+U,P-1,A5B7C12_aP24_2_a2i_cde2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_cde4i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174266,Li7Co5O12,-6.1907493175,-1.6797362518,0.0874835504,0.0874835504,GGA+U,P-1,A5B7C12_aP24_2_a2i_e3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_e5i_11i:Co-Li-O, expected Li11Co7O22 to be Li7Co5O12" +mp-1174271,Li7Co5O12,-6.2261747546,-1.7151616889,0.0520581133,0.0520581133,GGA+U,P-1,A5B7C12_aP24_2_b2i_d3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2i_c4i_12i:Co-Li-O, expected Li9Co5O24 to be Li7Co5O12" +mp-1174292,Li7Co5O12,-6.2182992483,-1.7072861826,0.0599336196,0.0599336196,GGA+U,P-1,A5B7C12_aP24_2_a2i_cfh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_cfh3i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174293,Li7Co5O12,-6.1837463687,-1.6727333031,0.0944864992,0.0944864992,GGA+U,P-1,A5B7C12_aP24_2_a2i_b3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a2i_b5i_11i:Co-Li-O, expected Li11Co5O22 to be Li7Co5O12" +mp-1174305,Li7Co5O12,-6.2010083992,-1.6899953335,0.0772244687,0.0772244687,GGA+U,P-1,A5B7C12_aP24_2_a2i_cfh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_cfh3i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174307,Li7Co5O12,-6.1732838408,-1.6622707751,0.1049490271,0.1049490271,GGA+U,P-1,A5B7C12_aP24_2_b2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_b3i_c4i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174313,Li7Co5O12,-6.2306028983,-1.7195898326,0.0476299696,0.0476299696,GGA+U,P-1,A5B7C12_aP24_2_b2i_e3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_b3i_e6i_12i:Co-Li-O, expected Li13Co7O24 to be Li7Co5O12" +mp-1174315,Li7Co5O12,-6.21733729,-1.7063242243,0.0608955779,0.0608955779,GGA+U,P-1,A5B7C12_aP24_2_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_c5i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174328,Li7Co5O12,-6.1773650746,-1.6663520089,0.1008677933,0.1008677933,GGA+U,P-1,A5B7C12_aP24_2_a2i_cfh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a3i_cfh4i_11i:Co-Li-O, expected Li11Co7O22 to be Li7Co5O12" +mp-1174364,Li7Co5O12,-6.1859850096,-1.6749719439,0.0922478583,0.0922478583,GGA+U,P-1,A5B7C12_aP24_2_b2i_e3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_agh_c2i3j_4i7j:Co-Li-O, expected Li17Co5O36 to be Li7Co5O12" +mp-1174366,Li7Co5O12,-6.218828565,-1.7078154993,0.0594043029,0.0594043029,GGA+U,P-1,A5B7C12_aP24_2_a2i_cde2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a4i_cde4i_12i:Co-Li-O, expected Li11(Co3O8)3 to be Li7Co5O12" +mp-1174374,Li7Co5O12,-6.21423736,-1.7032242943,0.0639955079,0.0639955079,GGA+U,P-1,A5B7C12_aP24_2_a2i_b3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_a2i_b5i_12i:Co-Li-O, expected Li11Co5O24 to be Li7Co5O12" +mp-1174384,Li7Co5O12,-6.1790173587,-1.6680042931,0.0992155092,0.0992155092,GGA+U,P-1,A5B7C12_aP24_2_b2i_e3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_b2i_e5i_11i:Co-Li-O, expected Li11Co5O22 to be Li7Co5O12" +mp-1174494,Li7Co5O12,-6.2125548929,-1.7015418272,0.065677975,0.065677975,GGA+U,P-1,A5B7C12_aP24_2_b2i_e3i_6i:Co-Li-O,48.0,"Invalid WP multiplicities - A5B7C12_aP24_2_b2i_e4i_8i:Co-Li-O, expected Li9Co5O16 to be Li7Co5O12" +mp-1174804,Li7Co5O12,-6.1998627371,-1.6888496714,0.0783701308,0.0783701308,GGA+U,P-1,A5B7C12_aP24_2_b2i_cdh2i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_aP24_2_b3i_cdh4i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1979024,Li7Co5O12,-6.2012157898,-1.6902027241000002,0.0770170781,0.0770170781,GGA+U,P-1,A5B7C12_aP48_2_bc4i_dh6i_12i:Co-Li-O,48.0,"Invalid WP multiplicities - A5B7C12_aP48_2_bc4i_dh11i_23i:Co-Li-O, expected Li12Co5O23 to be Li7Co5O12" +mp-1653728,Li7Co5O12,-6.2364297867,-1.7254167210000002,0.0418030812,0.0418030812,GGA+U,P2,A5B7C12_mP48_3_2a2b3c3d_ab6e_12e:Co-Li-O,48.0,"Invalid WP multiplicities - A5B7C12_mP48_3_2a3b3c2d_ad12e_24e:Co-Li-O, expected Li13Co5O24 to be Li7Co5O12" +mp-770769,Li7Co5O12,-6.1796109667,-1.668597901,0.0986219012,0.0986219012,GGA+U,C2,A5B7C12_mC48_5_2abc_a2b2c_6c:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_2abc_a2b4c_6c:Co-Li-O, expected Li11Co5O12 to be Li7Co5O12" +mp-1648494,Li7Co5O12,-6.2555983485,-1.7445852828,0.0226345194,0.0226345194,GGA+U,C2,A5B7C12_mC96_5_2a2b3c_ab6c_12c:Co-Li-O,48.0,"Invalid WP multiplicities - A5B7C12_mC96_5_2a2b3c_ab12c_24c:Co-Li-O, expected Li13Co5O24 to be Li7Co5O12" +mp-1638688,Li7Co5O12,-6.2453999671,-1.7343869014000002,0.0328329008,0.0328329008,GGA+U,C2,A5B7C12_mC48_5_2a3b_a3c_6c:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_5_2a3b_a5c_10c:Co-Li-O, expected Li11(CoO4)5 to be Li7Co5O12" +mp-1174242,Li7Co5O12,-6.1760632067,-1.665050141,0.1021696612,0.1021696612,GGA+U,P2/m,A5B7C12_mP24_10_amn_cehmn_3m3n:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mP24_10_a2mn_ceh2mn_6m6n:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174391,Li7Co5O12,-6.2339977537,-1.7229846881,0.0442351142,0.0442351142,GGA+U,P2/m,A5B7C12_mP24_10_bij_cdhkl_mn2o:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mP24_10_ai2j_ceh2k2l_2m2n8o:Co-Li-O, expected Li11Co7O40 to be Li7Co5O12" +mp-1174403,Li7Co5O12,-6.2235729821,-1.7125599164,0.0546598858,0.0546598858,GGA+U,P2/m,A5B7C12_mP24_10_bmn_cegmn_3m3n:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mP24_10_bmn_cdhmn_6m6n:Co-Li-O, expected Li7Co5O24 to be Li7Co5O12" +mp-1174431,Li7Co5O12,-6.2228093446,-1.7117962789,0.0554235233,0.0554235233,GGA+U,P2/m,A5B7C12_mP24_10_bmn_cegmn_3m3n:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mP24_10_b2mn_cdh2m2n_6m6n:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174439,Li7Co5O12,-6.1859572833,-1.6749442176,0.0922755846,0.0922755846,GGA+U,P2/m,A5B7C12_mP24_10_amn_cehmn_3m3n:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mP24_10_am2n_ceh2m2n_6m6n:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1640700,Li7Co5O12,-6.2601962721,-1.7491832064,0.0180365958,0.0180365958,GGA+U,P2/m,A5B7C12_mP48_10_bcijkl_dhmn2o_2m2n4o:Co-Li-O,48.0,"Invalid WP multiplicities - A5B7C12_mC48_12_2agh_dij_2i2j:Co-Li-O, expected Li7(CoO2)6 to be Li7Co5O12" +mp-771155,Li7Co5O12,-6.2743257317,-1.763312666,0.0039071362,0.0039071362,GGA+U,C2/m,A5B7C12_mC48_12_agh_dij_2i2j:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2g2h_c2i2j_4i8j:Co-Li-O, expected Li13Co9O40 to be Li7Co5O12" +mp-1174196,Li7Co5O12,-6.2516702642,-1.7406571985,0.0265626037,0.0265626037,GGA+U,C2/m,A5B7C12_mC48_12_agh_dij_2i2j:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_agh_d2i3j_4i7j:Co-Li-O, expected Li17Co5O36 to be Li7Co5O12" +mp-1174274,Li7Co5O12,-6.2258778358,-1.7148647701000002,0.0523550321,0.0523550321,GGA+U,C2/m,A5B7C12_mC48_12_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a3i_d5i_12i:Co-Li-O, expected Li11Co7O24 to be Li7Co5O12" +mp-1174340,Li7Co5O12,-6.1415704175,-1.6305573518,0.1366624504,0.1366624504,GGA+U,C2/m,A5B7C12_mC48_12_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2i_d4i_12i:Co-Li-O, expected Li9Co5O24 to be Li7Co5O12" +mp-1174342,Li7Co5O12,-6.1777747717,-1.666761706,0.1004580962,0.1004580962,GGA+U,C2/m,A5B7C12_mC48_12_a2i_d3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a3i_d4i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174345,Li7Co5O12,-6.1796868817,-1.668673816,0.0985459862,0.0985459862,GGA+U,C2/m,A5B7C12_mC48_12_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a3i_d4i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-1174365,Li7Co5O12,-6.2080808467,-1.697067781,0.0701520212,0.0701520212,GGA+U,C2/m,A5B7C12_mC48_12_a2i_d3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a3i_c4i_11i:Co-Li-O, expected Li9Co7O22 to be Li7Co5O12" +mp-1174377,Li7Co5O12,-6.23267685,-1.7216637843,0.0455560179,0.0455560179,GGA+U,C2/m,A5B7C12_mC48_12_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2i_c4i_12i:Co-Li-O, expected Li9Co5O24 to be Li7Co5O12" +mp-1174401,Li7Co5O12,-6.2077969142,-1.6967838485,0.0704359537,0.0704359537,GGA+U,C2/m,A5B7C12_mC48_12_a2i_d3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a2i_c5i_12i:Co-Li-O, expected Li11Co5O24 to be Li7Co5O12" +mp-1174577,Li7Co5O12,-6.0095063025,-1.4984932368,0.2687265654,0.2687265654,GGA+U,C2/m,A5B7C12_mC48_12_a2i_c3i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - A5B7C12_mC48_12_a3i_d4i_12i:Co-Li-O, expected Li9Co7O24 to be Li7Co5O12" +mp-530277,Li10Co11O21,-6.4937794873,-1.7042274075,0.0260787703,0.0260787703,GGA+U,P-1,A11B10C21_aP84_2_ab10i_10i_21i:Co-Li-O,84.0,"Invalid WP multiplicities - A11B10C21_aP84_2_ab20i_19i_41i:Co-Li-O, expected Li19Co21O41 to be Li10Co11O21" +mp-38489,LiCo7O8,-6.9925827156,-1.2900416455,0.1118635834,0.1118635834,GGA+U,Fm-3m,A7BC8_cF64_225_ad_b_ce:Co-Li-O,16.0,"Invalid WP multiplicities - A7BC8_cF64_225_a2d_b_2ce:Co-Li-O, expected LiCo13O10 to be LiCo7O8" +mp-757926,Li3Co11O14,-6.6711006696,-1.2006754446,0.2847215511,0.2847215511,GGA+U,C2/m,A11B3C14_mC56_12_a2g3h_dg_i3j:Co-Li-O,28.0,"Invalid WP multiplicities - A11B3C14_mC56_12_a4g5h_cg_2i7j:Co-Li-O, expected Li3Co19O32 to be Li3Co11O14" +mp-766589,Li5(CoO2)8,-6.567982484,-1.5487350332,0.0313502257,0.0313502257,GGA+U,P1,A8B5C16_aP58_1_16a_10a_32a:Co-Li-O,58.0,A8B5C16_aP58_1_16a_10a_32a:Co-Li-O +mp-765274,Li5(CoO2)8,-6.5217511134,-1.5025036626,0.0775815962,0.0775815962,GGA+U,P1,A8B5C16_aP29_1_8a_5a_16a:Co-Li-O,29.0,A8B5C16_aP29_1_8a_5a_16a:Co-Li-O +mp-768441,Li19(CoO4)4,-5.5280298221,-1.8395727701,0.0841329676,0.0841329676,GGA+U,Pm,A4B19C16_mP39_6_2a2b_3a4b6c_4a4b4c:Co-Li-O,39.0,A4B19C16_mP39_6_2a2b_3a4b6c_4a4b4c:Co-Li-O +mp-765515,LiCo15O16,-6.6634556681,-0.7984335065,0.5450274858,0.5450274858,GGA+U,P-1,A15BC16_aP32_2_bce6i_f_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A15BC16_aP32_2_bce12i_f_14i:Co-Li-O, expected LiCo27O28 to be LiCo15O16" +mp-756582,Li2CoGeO4,-6.5111549469,-2.0941616683,0.0,-0.0308396447,GGA+U,Pc,ABC2D4_mP16_7_a_a_2a_4a:Co-Ge-Li-O,32.0,ABC2D4_mP16_7_a_a_2a_4a:Co-Ge-Li-O +mp-755695,Li2CoGeO4,-6.5081424903,-2.0911492118,0.0030124566,-0.0278271881,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Co-Ge-Li-O,32.0,ABC2D4_oP16_31_a_a_b_2ab:Co-Ge-Li-O +mp-767934,Li3Co13O16,-6.5997516369,-1.0596916583,0.4006578073,0.4006578073,GGA+U,P-1,A13B3C16_aP32_2_b6i_di_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A13B3C16_aP32_2_b12i_di_15i:Co-Li-O, expected Li3(Co5O6)5 to be Li3Co13O16" +mp-867584,Li3Co13O16,-6.9017248344,-1.3616648558,0.0986846098,0.0986846098,GGA+U,P-1,A13B3C16_aP32_2_a6i_ci_8i:Co-Li-O,32.0,"Invalid WP multiplicities - A13B3C16_aP32_2_a11i_c2i_14i:Co-Li-O, expected Li5Co23O28 to be Li3Co13O16" +mp-776004,Li4CoO4,-5.6160595822,-1.7793080148,0.0959452928,0.0959452928,GGA+U,Pm,AB4C4_mP18_6_ab_2a3c_2a2b2c:Co-Li-O,18.0,AB4C4_mP18_6_ab_2a3c_2a2b2c:Co-Li-O +mp-771149,Li4CoO4,-5.6076996008,-1.7709480334,0.1043052742,0.1043052742,GGA+U,Pm,AB4C4_mP36_6_2a2b_3a3b5c_4a4b4c:Co-Li-O,36.0,AB4C4_mP36_6_2a2b_3a3b5c_4a4b4c:Co-Li-O +mp-764688,Li4CoO4,-5.5906803193,-1.7539287519000002,0.1213245557,0.1213245557,GGA+U,Pc,AB4C4_mP72_7_4a_16a_16a:Co-Li-O,72.0,AB4C4_mP72_7_4a_16a_16a:Co-Li-O +mp-759339,Li4CoO4,-5.6024664913,-1.7657149238,0.1095383838,0.1095383838,GGA+U,Pc,AB4C4_mP72_7_4a_16a_16a:Co-Li-O,72.0,AB4C4_mP72_7_4a_16a_16a:Co-Li-O +mp-759349,Li4CoO4,-5.6243024739,-1.7875509065,0.0877024011,0.0877024011,GGA+U,Pc,AB4C4_mP72_7_4a_16a_16a:Co-Li-O,72.0,AB4C4_mP72_7_4a_16a_16a:Co-Li-O +mp-759702,Li4CoO4,-5.6197638547,-1.7830122873,0.0922410203,0.0922410203,GGA+U,Pnnm,AB4C4_oP36_58_g_2gh_2gh:Co-Li-O,36.0,"Invalid WP multiplicities - AB4C4_oP36_58_g_5g4h_6g3h:Co-Li-O, expected Li13CoO12 to be Li4CoO4" +mp-778671,Li4CoO4,-5.5454811282000005,-1.7087295608000002,0.1665237468,0.1665237468,GGA+U,Pbca,AB4C4_oP72_61_c_4c_4c:Co-Li-O,72.0,"Invalid WP multiplicities - AB4C4_oP72_61_c_13c_13c:Co-Li-O, expected Li13CoO13 to be Li4CoO4" +mp-753010,Li4CoO4,-5.5890571431,-1.7523055756,0.1229477319,0.1229477319,GGA+U,P4_22_12,AB4C4_tP18_94_a_de_g:Co-Li-O,36.0,AB4C4_tP18_94_a_de_g:Co-Li-O +mp-850020,Li4(CoO2)9,-6.5366696197,-1.3543809608,0.1181185418,0.1181185418,GGA+U,Pbam,A9B4C18_oP62_55_a2g2h_2g_4g5h:Co-Li-O,62.0,"Invalid WP multiplicities - A9B4C18_mP62_10_ad8m8n_7m_14m20n:Co-Li-O, expected Li7(CoO2)17 to be Li4(CoO2)9" +mp-850954,Li21(CoO4)4,-5.4972123466,-1.8955618402,0.0435569308,0.0435569308,GGA+U,Pc,A4B21C16_mP82_7_4a_21a_16a:Co-Li-O,82.0,"Invalid WP multiplicities - A4B21C16_mP82_7_4a_31a_22a:Co-Li-O, expected Li31(Co2O11)2 to be Li21(CoO4)4" +mp-728514,Li9Co9O17,-6.3032138394,-1.5818174381,0.1468799795,0.1468799795,GGA+U,P1,A9B9C17_aP35_1_9a_9a_17a:Co-Li-O,35.0,A9B9C17_aP35_1_9a_9a_17a:Co-Li-O +mp-705847,Li2(CoO2)3,-6.53602469,-1.5521218367,0.0488707422,0.0488707422,GGA+U,P-1,A3B2C6_aP22_2_bd2i_2i_6i:Co-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_aP22_2_bd3i_4i_12i:Co-Li-O, expected LiCoO3 to be Li2(CoO2)3" +mp-758725,Li2(CoO2)3,-6.5622578077,-1.5783549545,0.0226376244,0.0226376244,GGA+U,Cc,A3B2C6_mC44_9_3a_2a_6a:Co-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_mC44_9_3a_3a_11a:Co-Li-O, expected Li3Co3O11 to be Li2(CoO2)3" +mp-758539,Li2(CoO2)3,-6.4245055536,-1.4406027004,0.1603898785,0.1603898785,GGA+U,C2/m,A3B2C6_mC22_12_ag_h_ij:Co-Li-O,11.0,"Invalid WP multiplicities - A3B2C6_mC22_12_ag_h_2i2j:Co-Li-O, expected Li2(CoO4)3 to be Li2(CoO2)3" +mp-1178064,Li2(CoO2)3,-6.4149674723,-1.431064619,0.1699279599,0.1699279599,GGA+U,Cmce,A3B2C6_oC44_64_ad_e_fg:Co-Li-O,22.0,"Invalid WP multiplicities - A3B2C6_oC44_64_ad_e_2f2g:Co-Li-O, expected Li2(CoO4)3 to be Li2(CoO2)3" +mp-772493,Li3Co3(Ge3O8)2,-6.755148308,-1.9716872904,0.0408395123,0.0408395123,GGA+U,P2_1,A3B6C3D16_mP56_4_3a_6a_3a_16a:Co-Ge-Li-O,56.0,"Invalid WP multiplicities - A3B6C3D16_mP56_4_5a_12a_4a_32a:Co-Ge-Li-O, expected Li4Co5(Ge3O8)4 to be Li3Co3(Ge3O8)2" +mp-1212378,Li3CoO6,-4.208090049,0.0434318172,1.4584912494,1.4584912494,GGA+U,Cmmm,AB3C6_oC20_65_a_de_kp:Co-Li-O,10.0,AB3C6_oC20_65_a_de_kp:Co-Li-O +mp-1177024,Li6(CoO2)5,-6.221182659,-1.6277534549,0.1286955015,0.1286955015,GGA+U,P1,A5B6C10_aP21_1_5a_6a_10a:Co-Li-O,21.0,A5B6C10_aP21_1_5a_6a_10a:Co-Li-O +mp-761027,Li6(CoO2)5,-6.2369510548,-1.6435218506,0.1129271058,0.1129271058,GGA+U,P-1,A5B6C10_aP21_2_a2i_3i_5i:Co-Li-O,21.0,"Invalid WP multiplicities - A5B6C10_aP21_2_a3i_5i_10i:Co-Li-O, expected Li10Co7O20 to be Li6(CoO2)5" +mp-771197,Li4Co7O16,-6.4274103133,-1.3703386314,0.0725595816,0.0725595816,GGA+U,P2_1,A7B4C16_mP54_4_7a_4a_16a:Co-Li-O,54.0,"Invalid WP multiplicities - A7B4C16_mP54_4_12a_6a_30a:Co-Li-O, expected LiCo2O5 to be Li4Co7O16" +mp-850944,Li21(Co4O9)2,-5.66877954,-1.7114535961,0.0992001193,0.0992001193,GGA+U,P1,A8B21C18_aP47_1_8a_21a_18a:Co-Li-O,47.0,A8B21C18_aP47_1_8a_21a_18a:Co-Li-O +mp-1290895,Li2CoO3,-6.0095066825,-1.7151350722,0.0667338833,0.0256763373,GGA+U,P1,AB2C3_aP24_1_4a_8a_12a:Co-Li-O,24.0,AB2C3_aP24_1_4a_8a_12a:Co-Li-O +mp-1173881,Li2CoO3,-5.99405811,-1.6996864997,0.0821824558,0.0411249098,GGA+U,P-1,AB2C3_aP12_2_i_aci_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_aci_6i:Co-Li-O, expected Li2CoO6 to be Li2CoO3" +mp-1173883,Li2CoO3,-5.967015855,-1.6726442447,0.1092247108,0.0681671648,GGA+U,P-1,AB2C3_aP12_2_i_aei_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_ae2i_5i:Co-Li-O, expected Li3CoO5 to be Li2CoO3" +mp-1173887,Li2CoO3,-5.9967378983,-1.702366288,0.0795026675,0.0384451215,GGA+U,P-1,AB2C3_aP12_2_i_bci_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_bci_6i:Co-Li-O, expected Li2CoO6 to be Li2CoO3" +mp-1284624,Li2CoO3,-6.0051668725,-1.7107952622,0.0710736933,0.0300161473,GGA+U,P-1,AB2C3_aP12_2_i_bei_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_bei_4i:Co-Li-O, expected Li2CoO4 to be Li2CoO3" +mp-1314570,Li2CoO3,-6.0462821708,-1.7519105605,0.029958395,-0.011099151,GGA+U,P-1,AB2C3_aP24_2_2i_4i_6i:Co-Li-O,24.0,"Invalid WP multiplicities - AB2C3_aP24_2_2i_5i_11i:Co-Li-O, expected Li5Co2O11 to be Li2CoO3" +mp-1306461,Li2CoO3,-6.0073485271,-1.7129769167000002,0.0688920388,0.0278344928,GGA+U,P-1,AB2C3_aP12_2_i_aei_3i:Co-Li-O,24.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_aei_4i:Co-Li-O, expected Li2CoO4 to be Li2CoO3" +mp-1173888,Li2CoO3,-6.0036637258,-1.7092921155,0.07257684,0.031519294,GGA+U,C2,AB2C3_mC24_5_2a_a3b_3c:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_5_2a_a3b_5c:Co-Li-O, expected Li2CoO5 to be Li2CoO3" +mp-1173879,Li2CoO3,-6.0762405658,-1.7818689555,0.0,-0.041057546,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Co-Li-O,24.0,AB2C3_mC24_12_g_adh_ij:Co-Li-O +mp-1173880,Li2CoO3,-6.0042873125,-1.7099157022,0.0719532533,0.0308957073,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Co-Li-O,12.0,AB2C3_mC24_12_g_ach_ij:Co-Li-O +mp-1173889,Li2CoO3,-5.9818381017,-1.6874664913,0.0944024642,0.0533449182,GGA+U,C2/m,AB2C3_mC24_12_i_aci_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_ad2i_5i:Co-Li-O, expected Li3CoO5 to be Li2CoO3" +mp-1173890,Li2CoO3,-5.9763533358,-1.6819817255,0.09988723,0.058829684,GGA+U,C2/m,AB2C3_mC24_12_i_adi_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_ac2i_5i:Co-Li-O, expected Li3CoO5 to be Li2CoO3" +mp-1173894,Li2CoO3,-5.9810858717,-1.6867142613,0.0951546942,0.0540971482,GGA+U,C2/m,AB2C3_mC24_12_i_aci_3i:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_aci_6i:Co-Li-O, expected Li2CoO6 to be Li2CoO3" +mp-773514,Li2CoO3,-5.9281417467,-1.6337701363,0.1480988192,0.1070412732,GGA+U,Pnnm,AB2C3_oP24_58_g_2g_3g:Co-Li-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_58_g_5g_9g:Co-Li-O, expected Li5CoO9 to be Li2CoO3" +mp-752760,Li2CoO3,-5.9279410017,-1.6335693913,0.1482995642,0.1072420182,GGA+U,P4_2/mnm,AB2C3_tP24_136_f_i_gi:Co-Li-O,24.0,"Invalid WP multiplicities - AB2C3_tP24_136_f_i_3g2i:Co-Li-O, expected Li2CoO7 to be Li2CoO3" +mp-1173891,Li2CoO3,-5.8821519492,-1.5877803388,0.1940886167,0.1530310707,GGA+U,P-3m1,AB2C3_hP12_164_d_abd_c2d:Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3_hP12_164_d_abd_2c4d:Co-Li-O, expected Li2CoO6 to be Li2CoO3" +mp-758387,Li4Co15O28,-6.7168604006,-1.3388233303,0.0334120437,0.0334120437,GGA+U,P-1,A15B4C28_aP47_2_acf6i_2i_14i:Co-Li-O,47.0,"Invalid WP multiplicities - A15B4C28_aP47_2_acf12i_3i_27i:Co-Li-O, expected Li2(CoO2)9 to be Li4Co15O28" +mp-1177487,Li47(CoO4)8,-5.4225633097,-1.918196001,0.0229395617,0.0229395617,GGA+U,P1,A8B47C32_aP87_1_8a_47a_32a:Co-Li-O,87.0,A8B47C32_aP87_1_8a_47a_32a:Co-Li-O +mp-674388,Li(CoO2)8,-6.6870283836,-1.1701289993,0.0326823897,0.0326823897,GGA+U,P-1,A8BC16_aP25_2_4i_a_8i:Co-Li-O,25.0,"Invalid WP multiplicities - A8BC16_aP25_2_8i_a_15i:Co-Li-O, expected Li(Co8O15)2 to be Li(CoO2)8" +mp-766887,Li13Co15O28,-6.4474099907,-1.6269091317000002,0.0922648106,0.0922648106,GGA+U,P-1,A15B13C28_aP56_2_acf6i_h6i_14i:Co-Li-O,56.0,"Invalid WP multiplicities - A15B13C28_aP56_2_acf12i_h11i_27i:Co-Li-O, expected Li23(CoO2)27 to be Li13Co15O28" +mp-757323,Li13Co15O28,-6.3961332312,-1.5756323722,0.1435415701,0.1435415701,GGA+U,P-1,A15B13C28_aP56_2_acf6i_h6i_14i:Co-Li-O,56.0,"Invalid WP multiplicities - A15B13C28_aP56_2_acf12i_h12i_26i:Co-Li-O, expected Li25Co27O52 to be Li13Co15O28" +mp-867664,LiCoO2,-6.3947207875,-1.6670662665,0.0855043825,0.0614293975,GGA+U,P-1,ABC2_aP20_2_b2i_d2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b3i_d4i_9i:Co-Li-O, expected Li9Co7O18 to be LiCoO2" +mp-22526,LiCoO2,-6.48022517,-1.752570649,0.0,-0.024074985,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Co-Li-O,4.0,ABC2_hR12_166_a_b_c:Co-Li-O +mp-1340071,LiCoO2,-4.966389776,-0.238735255,1.513835394,1.489760409,GGA+U,P-1,ABC2_aP20_2_b2i_c2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - ABC2_aP20_2_b3i_c4i_9i:Co-Li-O, expected Li9Co7O18 to be LiCoO2" +mp-1097885,LiCoO2,-6.43678859,-1.709134069,0.04343658,0.019361595,GGA+U,C2/m,ABC2_mC32_12_ace_bdf_2ij:Co-Li-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_abcf_degh_7i:Co-Li-O, expected Li2Co2O7 to be LiCoO2" +mp-853240,LiCoO2,-6.4433254937,-1.7156709727,0.0368996762,0.0128246912,GGA+U,Imma,ABC2_oI32_74_ac_bd_hi:Co-Li-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_a2c_bd_7f:Co-Li-O, expected Li2Co3O14 to be LiCoO2" +mp-1222334,LiCoO2,-6.268803435,-1.541148914,0.211421735,0.18734675,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Co-Li-O,4.0,ABC2_tP4_123_a_d_bc:Co-Li-O +mp-1404711,LiCoO2,-6.4346348288,-1.7069803077,0.0455903412,0.0215153562,GGA+U,R-3m,ABC2_hR48_166_ad_be_ch:Co-Li-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_ac2e_bd2f_3i2j:Co-Li-O, expected Li3Co3O7 to be LiCoO2" +mp-753473,LiCoO2,-6.3869707412,-1.6593162202,0.0932544287,0.0691794437,GGA+U,P6_3mc,ABC2_hP8_186_b_b_ab:Co-Li-O,8.0,ABC2_hP8_186_b_b_ab:Co-Li-O +mp-849273,LiCoO2,-6.4479640825,-1.7203095615,0.0322610875,0.0081861025,GGA+U,Fd-3m,ABC2_cF64_227_c_d_e:Co-Li-O,16.0,ABC2_cF64_227_c_d_e:Co-Li-O +mp-758913,Li17(Co4O9)2,-5.8500733821,-1.7021983147,0.1062822481,0.1062822481,GGA+U,P1,A8B17C18_aP43_1_8a_17a_18a:Co-Li-O,43.0,A8B17C18_aP43_1_8a_17a_18a:Co-Li-O +mp-1173960,Li3Co2O5,-6.2101566985,-1.7424719239000002,0.027677709,0.027677709,GGA+U,P-1,A2B3C5_aP20_2_2i_be2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_be4i_10i:Co-Li-O, expected Li5(CoO5)2 to be Li3Co2O5" +mp-1173977,Li3Co2O5,-6.110438022,-1.6427532474,0.1273963855,0.1273963855,GGA+U,P-1,A2B3C5_aP20_2_2i_ac2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ac2i_10i:Co-Li-O, expected Li3(CoO5)2 to be Li3Co2O5" +mp-1173982,Li3Co2O5,-6.1421069355,-1.6744221609,0.095727472,0.095727472,GGA+U,P-1,A2B3C5_aP20_2_2i_bd2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_bd3i_9i:Co-Li-O, expected Li4Co2O9 to be Li3Co2O5" +mp-1173994,Li3Co2O5,-6.1450855135,-1.6774007389,0.092748894,0.092748894,GGA+U,P-1,A2B3C5_aP20_2_2i_ac2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ac3i_9i:Co-Li-O, expected Li4Co2O9 to be Li3Co2O5" +mp-1174005,Li3Co2O5,-6.1688717185,-1.7011869439,0.068962689,0.068962689,GGA+U,P-1,A2B3C5_aP20_2_2i_ae2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ae3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174108,Li3Co2O5,-6.137167351,-1.6694825764,0.1006670565,0.1006670565,GGA+U,P-1,A2B3C5_aP20_2_2i_ae2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ae3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174119,Li3Co2O5,-6.1366590155,-1.6689742409,0.101175392,0.101175392,GGA+U,P-1,A2B3C5_aP20_2_2i_bd2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_bd3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174213,Li3Co2O5,-6.116571014,-1.6488862394,0.1212633935,0.1212633935,GGA+U,P-1,A2B3C5_aP20_2_2i_ab2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ab3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1173970,Li3Co2O5,-6.178465037,-1.7107802624,0.0593693705,0.0593693705,GGA+U,C2/m,A2B3C5_mC40_12_2g_ad2h_i2j:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2g_ac3h_2i6j:Co-Li-O, expected Li2CoO7 to be Li3Co2O5" +mp-1173983,Li3Co2O5,-6.1420391765,-1.6743544019,0.095795231,0.095795231,GGA+U,C2/m,A2B3C5_mC40_12_2i_ac2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ad3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174026,Li3Co2O5,-6.166216035,-1.6985312604,0.0716183725,0.0716183725,GGA+U,C2/m,A2B3C5_mC40_12_2i_ad2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ac3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174033,Li3Co2O5,-6.1210008995,-1.6533161249,0.116833508,0.116833508,GGA+U,C2/m,A2B3C5_mC40_12_2i_ac2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ad4i_9i:Co-Li-O, expected Li5Co2O9 to be Li3Co2O5" +mp-1174044,Li3Co2O5,-6.154053852,-1.6863690774,0.0837805555,0.0837805555,GGA+U,C2/m,A2B3C5_mC40_12_2i_ad2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ac3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174158,Li3Co2O5,-6.1362854485,-1.6686006739,0.101548959,0.101548959,GGA+U,C2/m,A2B3C5_mC40_12_2i_ad2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ac3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174281,Li3Co2O5,-6.0748469505,-1.6071621759,0.162987457,0.162987457,GGA+U,C2/m,A2B3C5_mC40_12_2i_ad2i_5i:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_mC40_12_2i_ac3i_10i:Co-Li-O, expected Li2CoO5 to be Li3Co2O5" +mp-1174181,Li3Co2O5,-5.9987596325,-1.5310748579,0.239074775,0.239074775,GGA+U,R-3m,A2B3C5_hR60_166_2c_ab2c_5c:Co-Li-O,20.0,"Invalid WP multiplicities - A2B3C5_hR60_166_2c_ab4c_9c:Co-Li-O, expected Li5Co2O9 to be Li3Co2O5" +mp-768424,Li17(CoO4)4,-5.5872777208,-1.8026296318,0.0896475026,0.0896475026,GGA+U,Pm,A4B17C16_mP37_6_2a2b_2a3b6c_4a4b4c:Co-Li-O,37.0,A4B17C16_mP37_6_2a2b_2a3b6c_4a4b4c:Co-Li-O +mp-773128,Li10Co4O9,-5.7563004935,-1.7544440479,0.0557018112,0.0557018112,GGA+U,P-1,A4B10C9_aP46_2_4i_10i_9i:Co-Li-O,46.0,"Invalid WP multiplicities - A4B10C9_aP46_2_7i_19i_17i:Co-Li-O, expected Li19Co7O17 to be Li10Co4O9" +mp-1185179,Li10Co4O9,-5.7814227554,-1.7795663099,0.0305795493,0.0305795493,GGA+U,P4_2/nmc,A4B10C9_tP46_137_g_dh_afg:Co-Li-O,46.0,A4B10C9_tP46_137_g_dh_afg:Co-Li-O +mp-754280,Li5CoO4,-5.5652159925,-1.9212472952,0.0169941715,0.0169941715,GGA+U,Aea2,AB5C4_oC40_41_a_a2b_2b:Co-Li-O,20.0,"Invalid WP multiplicities - AB5C4_oC40_41_a_2a6b_6b:Co-Li-O, expected Li14CoO12 to be Li5CoO4" +mp-773454,Li5CoO4,-5.527876544,-1.8839078467,0.05433362,0.05433362,GGA+U,Pnnm,AB5C4_oP40_58_g_e2gh_2gh:Co-Li-O,40.0,"Invalid WP multiplicities - AB5C4_oP40_58_g_2e6g4h_6g3h:Co-Li-O, expected Li16CoO12 to be Li5CoO4" +mp-760147,Li5CoO4,-5.5677849795,-1.9238162822,0.0144251845,0.0144251845,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Co-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Co-Li-O, expected Li17CoO13 to be Li5CoO4" +mp-779022,Li5CoO4,-5.5175333399,-1.8735646425,0.0646768241,0.0646768241,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Co-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Co-Li-O, expected Li17CoO13 to be Li5CoO4" +mp-758732,Li9Co13O28,-6.4804706414,-1.5185562204,0.0394592033,0.0394592033,GGA+U,P1,A13B9C28_aP50_1_13a_9a_28a:Co-Li-O,50.0,A13B9C28_aP50_1_13a_9a_28a:Co-Li-O +mp-758645,Li9Co13O28,-6.4809753728,-1.5190609518,0.0389544719,0.0389544719,GGA+U,P1,A13B9C28_aP50_1_13a_9a_28a:Co-Li-O,50.0,A13B9C28_aP50_1_13a_9a_28a:Co-Li-O +mp-705640,Li20Co21O40,-6.4513306405,-1.6942852148,0.0366487594,0.0366487594,GGA+U,P1,A21B20C40_aP81_1_21a_20a_40a:Co-Li-O,81.0,A21B20C40_aP81_1_21a_20a_40a:Co-Li-O +mp-685270,Li20Co21O40,-6.4312171449,-1.6741717193,0.056762255,0.056762255,GGA+U,I-4,A21B20C40_tI162_82_a5g_5g_10g:Co-Li-O,81.0,"Invalid WP multiplicities - A21B20C40_tI162_82_a19g_16g_33g:Co-Li-O, expected Li64(Co7O12)11 to be Li20Co21O40" +mp-771191,Li5Co7O16,-6.4288100821,-1.4841722865,0.0347047782,0.0347047782,GGA+U,P2_1,A7B5C16_mP56_4_7a_5a_16a:Co-Li-O,56.0,"Invalid WP multiplicities - A7B5C16_mP56_4_12a_8a_30a:Co-Li-O, expected Li4(Co2O5)3 to be Li5Co7O16" +mp-1172980,Li17(CoO4)3,-5.4605698687,-1.9250415358,0.0154480233,0.0154480233,GGA+U,P1,A3B17C12_aP64_1_6a_34a_24a:Co-Li-O,64.0,A3B17C12_aP64_1_6a_34a_24a:Co-Li-O +mp-543090,Li17(CoO4)3,-5.4569328906,-1.9214045577,0.0190850014,0.0190850014,GGA+U,P2_1,A3B17C12_mP64_4_3a_17a_12a:Co-Li-O,64.0,A3B17C12_mP64_4_6a_34a_24a:Co-Li-O +mp-759353,LiCo5O8,-6.8686778539,-1.3669620302,0.0411372049,0.0411372049,GGA+U,P4_332,A5BC8_cP56_212_cd_a_ce:Co-Li-O,56.0,"Invalid WP multiplicities - A5BC8_cP56_212_4c4d_a_8c8e:Co-Li-O, expected Li(Co5O16)4 to be LiCo5O8" +mp-867624,Li4Co5O12,-6.3168598771,-1.4341196402,0.0862575997,0.0862575997,GGA+U,P1,A5B4C12_aP21_1_5a_4a_12a:Co-Li-O,21.0,A5B4C12_aP21_1_5a_4a_12a:Co-Li-O +mp-759802,Li4Co5O12,-6.3414654926,-1.4587252556,0.0616519843,0.0616519843,GGA+U,P2_1,A5B4C12_mP42_4_5a_4a_12a:Co-Li-O,42.0,"Invalid WP multiplicities - A5B4C12_mP42_4_10a_6a_22a:Co-Li-O, expected Li3Co5O11 to be Li4Co5O12" +mp-769597,Li2CoGe3O8,-6.7057981677,-2.108029826,0.0,-0.0178845139,GGA+U,P2_13,AB3C2D8_cP56_198_a_b_2a_2a2b:Co-Ge-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_198_a_b_4a_8a17b:Co-Ge-Li-O, expected Li4CoGe3O59 to be Li2CoGe3O8" +mp-758799,Li9Co15O28,-6.5115008113,-1.4670324144,0.1286667473,0.1286667473,GGA+U,P-1,A15B9C28_aP52_2_acf6i_h4i_14i:Co-Li-O,52.0,"Invalid WP multiplicities - A15B9C28_aP52_2_acf12i_h7i_27i:Co-Li-O, expected Li5(CoO2)9 to be Li9Co15O28" +mp-699137,Li4(CoO2)7,-6.4435549984,-1.3776526788,0.1748349177,0.1748349177,GGA+U,P1,A7B4C14_aP25_1_7a_4a_14a:Co-Li-O,25.0,A7B4C14_aP25_1_7a_4a_14a:Co-Li-O +mp-18925,Li6CoO4,-5.4277486775,-1.9415114193,0.0,-0.0169934352,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Co-Li-O,44.0,AB6C4_tP22_137_a_df_g:Co-Li-O +mp-1174037,Li5Co3O8,-6.1231474606,-1.7204551226,0.0540892562,0.0540892562,GGA+U,P-1,A3B5C8_aP16_2_ai_b2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_ai_b3i_7i:Co-Li-O, expected Li7Co3O14 to be Li5Co3O8" +mp-1174104,Li5Co3O8,-6.0823932419,-1.6797009039000002,0.094843475,0.094843475,GGA+U,P-1,A3B5C8_aP16_2_ai_bcgi_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_ai_bcg2i_7i:Co-Li-O, expected Li7Co3O14 to be Li5Co3O8" +mp-1174123,Li5Co3O8,-6.08064829,-1.677955952,0.0965884269,0.0965884269,GGA+U,P-1,A3B5C8_aP16_2_bi_c2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_bi_c3i_7i:Co-Li-O, expected Li7Co3O14 to be Li5Co3O8" +mp-1174128,Li5Co3O8,-6.0686826881,-1.6659903501,0.1085540287,0.1085540287,GGA+U,P-1,A3B5C8_aP16_2_bi_cdhi_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_bi_cdh2i_8i:Co-Li-O, expected Li7Co3O16 to be Li5Co3O8" +mp-1174143,Li5Co3O8,-6.0811560219,-1.6784636839,0.096080695,0.096080695,GGA+U,P-1,A3B5C8_aP16_2_ai_b2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_ai_b2i_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1174153,Li5Co3O8,-6.1350574431,-1.7323651051,0.0421792737,0.0421792737,GGA+U,P-1,A3B5C8_aP16_2_abc_g2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_abc_g4i_8i:Co-Li-O, expected Li9Co3O16 to be Li5Co3O8" +mp-1174177,Li5Co3O8,-6.1016897388,-1.6989974007000002,0.0755469781,0.0755469781,GGA+U,P-1,A3B5C8_aP16_2_ai_bcgi_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_ai_bcgi_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1395802,Li5Co3O8,-5.0694878725,-0.6667955345000001,1.1077488444,1.1077488444,GGA+U,P-1,A3B5C8_aP16_2_ai_bcgi_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_aP16_2_ai_bcgi_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1173996,Li5Co3O8,-6.1372871062,-1.7345947682,0.0399496106,0.0399496106,GGA+U,P2/m,A3B5C8_mP16_10_aj_bghk_mno:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mP16_10_aj_bcf2l_2m2n4o:Co-Li-O, expected Li7(CoO8)3 to be Li5Co3O8" +mp-1174016,Li5Co3O8,-6.0765999488,-1.6739076107000002,0.1006367681,0.1006367681,GGA+U,P2/m,A3B5C8_mP16_10_bcd_hmn_2m2n:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mP16_10_bce_g2m2n_4m4n:Co-Li-O, expected Li9Co3O16 to be Li5Co3O8" +mp-1174048,Li5Co3O8,-6.0912615194,-1.6885691814,0.0859751975,0.0859751975,GGA+U,P2/m,A3B5C8_mP16_10_an_cdgn_2m2n:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mP16_10_an_cdg2n_4m4n:Co-Li-O, expected Li7Co3O16 to be Li5Co3O8" +mp-1174051,Li5Co3O8,-6.0781654419,-1.6754731039,0.099071275,0.099071275,GGA+U,P2/m,A3B5C8_mP16_10_bm_cdhn_2m2n:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mP16_10_bm_ceg2n_4m4n:Co-Li-O, expected Li7Co3O16 to be Li5Co3O8" +mp-1174003,Li5Co3O8,-6.1359691606,-1.7332768226000002,0.0412675562,0.0412675562,GGA+U,C2/m,A3B5C8_mC32_12_ah_bei_2ij:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ah_bfi_4i2j:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1174012,Li5Co3O8,-6.0920217506,-1.6893294126,0.0852149662,0.0852149662,GGA+U,C2/m,A3B5C8_mC32_12_ae_bhi_2ij:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_af_b2hi_4i3j:Co-Li-O, expected Li7Co3O20 to be Li5Co3O8" +mp-1174039,Li5Co3O8,-6.0820661269,-1.6793737889,0.09517059,0.09517059,GGA+U,C2/m,A3B5C8_mC32_12_ai_c2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ai_d2i_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1174116,Li5Co3O8,-6.0579035775,-1.6552112395,0.1193331394,0.1193331394,GGA+U,C2/m,A3B5C8_mC32_12_ai_d2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ai_c2i_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1174174,Li5Co3O8,-6.0397370475,-1.6370447095,0.1374996694,0.1374996694,GGA+U,C2/m,A3B5C8_mC32_12_ai_c2i_4i:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ai_c2i_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-1173963,Li5Co3O8,-6.1099873056,-1.7072949676,0.0672494112,0.0672494112,GGA+U,R-3m,A3B5C8_hR48_166_d_abe_ch:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_hR48_166_d_ab2e_2c2h:Co-Li-O, expected Li8Co3O16 to be Li5Co3O8" +mp-1174225,Li5Co3O8,-5.95317436,-1.5504820220000002,0.2240623569,0.2240623569,GGA+U,R-3m,A3B5C8_hR48_166_ac_b2c_4c:Co-Li-O,16.0,"Invalid WP multiplicities - A3B5C8_mC32_12_ai_d2i_8i:Co-Li-O, expected Li5Co3O16 to be Li5Co3O8" +mp-850281,Li7(CoO3)2,-5.6218388893,-1.8045570277,0.0865701862,0.0865701862,GGA+U,P1,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O,15.0,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O +mp-755498,Li7(CoO3)2,-5.6392864813,-1.8220046197,0.0691225942,0.0691225942,GGA+U,P1,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O,15.0,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O +mp-764768,Li7(CoO3)2,-5.6193564747,-1.8020746131,0.0890526008,0.0890526008,GGA+U,P1,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O,15.0,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O +mp-1402504,Li7(CoO3)2,-3.4267610833,0.3905207783,2.2816479922,2.2816479922,GGA+U,P1,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O,15.0,A2B7C6_aP15_1_2a_7a_6a:Co-Li-O +mp-867726,Li7(CoO3)2,-5.5887076707,-1.7714258091,0.1197014048,0.1197014048,GGA+U,C2/c,A2B7C6_mC60_15_f_e3f_3f:Co-Li-O,30.0,"Invalid WP multiplicities - A2B7C6_mC60_15_f_2e11f_11f:Co-Li-O, expected Li12CoO11 to be Li7(CoO3)2" +mp-849462,Li7(CoO3)2,-5.585737799,-1.7684559374000002,0.1226712765,0.1226712765,GGA+U,P-4n2,A2B7C6_tP30_118_f_afi_gi:Co-Li-O,30.0,"Invalid WP multiplicities - A2B7C6_tP30_118_f_2a4f6i_3g2i:Co-Li-O, expected Li17CoO7 to be Li7(CoO3)2" +mp-1013807,Li3Co2(GeO4)3,-6.3736135561000005,-1.7149759416,0.1397036302,0.1397036302,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Li-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Li-O +mp-756433,Li5Co7O12,-6.4058070350000005,-1.4615110586,0.2131339415,0.2131339415,GGA+U,C2,A7B5C12_mC48_5_2a3bc_a2c_6c:Co-Li-O,24.0,"Invalid WP multiplicities - A7B5C12_mC48_5_2a3b2c_a4c_6c:Co-Li-O, expected Li3Co3O4 to be Li5Co7O12" +mp-1178332,Li(CoO2)2,-6.5978974573,-1.4675669857,0.0468095532,0.0157087627,GGA+U,P1,A2BC4_aP56_1_16a_8a_32a:Co-Li-O,56.0,A2BC4_aP56_1_16a_8a_32a:Co-Li-O +mp-764935,Li(CoO2)2,-6.5737532857000005,-1.443422814,0.0709537248,0.0398529343,GGA+U,P-1,A2BC4_aP14_2_2i_i_4i:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_2i_i_8i:Co-Li-O, expected Li(CoO4)2 to be Li(CoO2)2" +mp-1285136,Li(CoO2)2,-6.5785826714,-1.4482521998,0.0661243391,0.0350235486,GGA+U,P-1,A2BC4_aP7_2_cd_b_2i:Co-Li-O,14.0,A2BC4_aP7_2_cd_b_2i:Co-Li-O +mp-774082,Li(CoO2)2,-6.6447070105,-1.5143765389,0.0,-0.0311007905,GGA+U,P2_1,A2BC4_mP56_4_8a_4a_16a:Co-Li-O,56.0,A2BC4_cF56_227_c_b_e:Co-Li-O +mp-1232996,Li(CoO2)2,-6.4631422114,-1.3328117398,0.1815647991,0.1504640086,GGA+U,Cm,A2BC4_mC14_8_2a_a_4a:Co-Li-O,7.0,A2BC4_aP7_1_2a_a_4a:Co-Li-O +mp-1235745,Li(CoO2)2,-6.4680184771,-1.3376880055,0.1766885334,0.1455877429,GGA+U,Cm,A2BC4_mC14_8_2a_a_4a:Co-Li-O,7.0,A2BC4_mC14_8_2a_a_4a:Co-Li-O +mp-552024,Li(CoO2)2,-6.6131357071,-1.4828052355,0.0315713034,0.0004705129,GGA+U,P2/m,A2BC4_mP7_10_bd_c_mn:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mP7_10_2c2e_b_mn:Co-Li-O, expected Li(CoO)4 to be Li(CoO2)2" +mp-1222978,Li(CoO2)2,-6.4748996914,-1.3445692198,0.1698073191,0.1387065286,GGA+U,C2/m,A2BC4_mC28_12_adi_i_4i:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_aci_i_8i:Co-Li-O, expected Li(CoO4)2 to be Li(CoO2)2" +mp-1273834,Li(CoO2)2,-6.5953729779,-1.4650425062,0.0493340327,0.0182332421,GGA+U,C2/m,A2BC4_mC28_12_abh_i_2ij:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_abh_i_4ij:Co-Li-O, expected Li(CoO3)2 to be Li(CoO2)2" +mp-752914,Li(CoO2)2,-6.5831608829,-1.4528304112,0.0615461277,0.0304453371,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_f_e_7f:Co-Li-O, expected Li(CoO7)2 to be Li(CoO2)2" +mp-1178123,Li(CoO2)2,-6.5708316143,-1.4405011426,0.0738753962,0.0427746057,GGA+U,Cmc2_1,A2BC4_oC56_36_2ab_2a_4a2b:Co-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oC56_36_3a3b_3a_6a6b:Co-Li-O, expected Li(CoO2)3 to be Li(CoO2)2" +mp-755386,Li(CoO2)2,-6.6160365032,-1.4857060315,0.0286705073,-0.0024302832,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Co-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_ce_2ab_3e2g:Co-Li-O, expected Li3(Co2O7)2 to be Li(CoO2)2" +mp-758122,Li(CoO2)2,-6.5927809221,-1.4624504505,0.0519260884,0.0208252979,GGA+U,Pbcn,A2BC4_oP28_60_d_c_2d:Co-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_60_d_c_12d:Co-Li-O, expected Li(CoO12)2 to be Li(CoO2)2" +mp-752807,Li(CoO2)2,-6.573748755,-1.4434182833,0.0709582555,0.039857465,GGA+U,Imma,A2BC4_oI28_74_ac_b_hi:Co-Li-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_hi:Co-Li-O, expected Li(CoO)4 to be Li(CoO2)2" +mp-774239,Li(CoO2)2,-6.5100723757,-1.379741904,0.1346346348,0.1035338443,GGA+U,P4_322,A2BC4_tP28_95_ac_b_2d:Co-Li-O,28.0,"Invalid WP multiplicities - A2BC4_tP28_95_3a2c_b_3d:Co-Li-O, expected LiCo5O6 to be Li(CoO2)2" +mp-1377260,Li(CoO2)2,-6.5986040761,-1.4682736044,0.0461029345,0.0150021439,GGA+U,P4_322,A2BC4_tP56_95_2cd_ab_4d:Co-Li-O,56.0,A2BC4_cF56_227_c_b_e:Co-Li-O +mp-756773,Li(CoO2)2,-6.60198569,-1.4716552183,0.0427213205,0.01162053,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Co-Li-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Co-Li-O +mp-754742,Li(CoO2)2,-6.5332988457,-1.402968374,0.1114081648,0.0803073743,GGA+U,R3m,A2BC4_hR21_160_2a_a_4a:Co-Li-O,7.0,A2BC4_hR21_160_2a_a_4a:Co-Li-O +mp-771014,Li(CoO2)2,-6.5040447989,-1.3737143273,0.1406622116,0.1095614211,GGA+U,P6_3mc,A2BC4_hP28_186_bc_ab_ab2c:Co-Li-O,28.0,"Invalid WP multiplicities - A2BC4_hP28_186_2b3c_a2b_a2b9c:Co-Li-O, expected Li3Co11O30 to be Li(CoO2)2" +mp-773076,Li(CoO2)2,-6.6274538886,-1.4971234169,0.017253122,-0.0138476686,GGA+U,P4_332,A2BC4_cP56_212_ad_c_ce:Co-Li-O,56.0,A2BC4_cF56_227_c_b_e:Co-Li-O +mp-25383,Li(CoO2)2,-6.5922923729,-1.4619619012,0.0524146377,0.0213138471,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Li-O,14.0,A2BC4_cF56_227_c_b_e:Co-Li-O +mp-4107,Li(CoGe)6,-5.82326454,-0.2619570964,0.0,-0.033830301,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Li,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_2cde_a:Co-Ge-Li, expected Li(Co3Ge4)2 to be Li(CoGe)6" +mp-532301,Li20(CoO2)21,-6.4878246319,-1.7262094885,0.0062725005,0.0062725005,GGA+U,P-1,A21B20C42_aP83_2_a10i_10i_21i:Co-Li-O,83.0,"Invalid WP multiplicities - A21B20C42_aP83_2_a19i_19i_41i:Co-Li-O, expected Li38Co39O82 to be Li20(CoO2)21" +mp-1222543,LiCo2O3,-6.6297568917,-1.4688194599,0.1278998912,0.1278998912,GGA+U,Immm,A2BC3_oI12_71_e_a_cf:Co-Li-O,6.0,A2BC3_oI12_71_e_a_cf:Co-Li-O +mp-774507,Li3(CoO2)5,-6.5569930728,-1.5161461457,0.0511624176,0.0511624176,GGA+U,P1,A5B3C10_aP36_1_10a_6a_20a:Co-Li-O,36.0,A5B3C10_aP36_1_10a_6a_20a:Co-Li-O +mp-1290247,Li(CoO2)4,-6.676250815,-1.2981197583,0.0165355307,0.0165355307,GGA+U,P2/m,A4BC8_mP26_10_abgho_ce_2m2n2o:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_mP26_10_abdeo_ch_4m4n8o:Co-Li-O, expected Li(CoO6)4 to be Li(CoO2)4" +mp-1306886,Li(CoO2)4,-6.6450988412,-1.2669677845,0.0476875045,0.0476875045,GGA+U,P2/m,A4BC8_mP26_10_bcego_ah_2m2n2o:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_mP26_10_bcdh2o_ae_3m3n8o:Co-Li-O, expected Li(Co3O11)2 to be Li(CoO2)4" +mp-1045647,Li(CoO2)4,-6.5388530754000005,-1.1607220187,0.1539332703,0.1539332703,GGA+U,C2/m,A4BC8_mC26_12_hi_a_2ij:Co-Li-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_h2i_a_4i2j:Co-Li-O, expected Li(Co3O8)2 to be Li(CoO2)4" +mp-1282881,Li(CoO2)4,-6.6794774738000005,-1.3013464172,0.0133088718,0.0133088718,GGA+U,C2/m,A4BC8_mC52_12_abcdj_i_4i2j:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_hR39_166_b2d_a_ch:Co-Li-O, expected LiCo7O8 to be Li(CoO2)4" +mp-1305141,Li(CoO2)4,-6.6389458715,-1.2608148149,0.0538404741,0.0538404741,GGA+U,C2/m,A4BC8_mC52_12_adefi_i_4i2j:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_mC52_12_ac2e2fi_i_7i7j:Co-Li-O, expected Li(Co2O7)3 to be Li(CoO2)4" +mp-758972,Li(CoO2)4,-6.6422896369,-1.2641585803,0.0504967087,0.0504967087,GGA+U,R-3m,A4BC8_hR78_166_abh_c_2c2h:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_mC52_12_adij_i_7i7j:Co-Li-O, expected LiCo4O21 to be Li(CoO2)4" +mp-780322,Li(CoO2)4,-6.6827565877,-1.304625531,0.010029758,0.010029758,GGA+U,R-3m,A4BC8_hR39_166_bd_a_ch:Co-Li-O,26.0,"Invalid WP multiplicities - A4BC8_aP26_2_3ab2c2e_i_16i:Co-Li-O, expected Li(CoO4)4 to be Li(CoO2)4" +mp-753251,Li5(CoO3)2,-5.8375488754,-1.7266733222,0.110831475,0.110831475,GGA+U,P1,A2B5C6_aP13_1_2a_5a_6a:Co-Li-O,13.0,A2B5C6_aP13_1_2a_5a_6a:Co-Li-O +mp-752662,Li5(CoO3)2,-5.7384636296,-1.6275880765,0.2099167208,0.2099167208,GGA+U,Cmmm,A2B5C6_oC52_65_gj_gpq_hipq:Co-Li-O,26.0,"Invalid WP multiplicities - A2B5C6_oC52_65_g2j_2g3p4q_2hi4p4q:Co-Li-O, expected Li16Co3O19 to be Li5(CoO3)2" +mp-755593,Li4CoO3,-5.5492948619,-1.8512854374,0.0362722696,0.0362722696,GGA+U,Cc,AB4C3_mC32_9_a_4a_3a:Co-Li-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_8a_6a:Co-Li-O, expected Li8CoO6 to be Li4CoO3" +mp-543091,Li16(CoO4)3,-5.5026322208,-1.9146327438,0.0247690286,0.0247690286,GGA+U,P1,A3B16C12_aP62_1_6a_32a_24a:Co-Li-O,62.0,A3B16C12_aP62_1_6a_32a_24a:Co-Li-O +mp-13914,LiCo2Ge,-5.411530965,-0.2243843871,0.0,-0.0249983704,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Co-Ge-Li +mp-777836,Li14Co13O28,-6.3966426102,-1.7122728759,0.0163745168,0.0163745168,GGA+U,P-1,A13B14C28_aP55_2_a6i_cf6i_14i:Co-Li-O,55.0,"Invalid WP multiplicities - A13B14C28_aP55_2_a12i_cf11i_27i:Co-Li-O, expected Li24Co25O54 to be Li14Co13O28" +mp-771244,Li4Co13O28,-6.549206044,-1.2480703392,0.0547574508,0.0547574508,GGA+U,P1,A13B4C28_aP45_1_13a_4a_28a:Co-Li-O,45.0,A13B4C28_aP45_1_13a_4a_28a:Co-Li-O +mp-759373,Li4Co13O28,-6.5550199584,-1.2538842536,0.0489435364,0.0489435364,GGA+U,P1,A13B4C28_aP45_1_13a_4a_28a:Co-Li-O,45.0,A13B4C28_aP45_1_13a_4a_28a:Co-Li-O +mp-997539,Li(CoO2)3,-6.5673450435,-1.2759441916,0.1086135349,0.1086135349,GGA+U,P1,A3BC6_aP20_1_6a_2a_12a:Co-Li-O,20.0,A3BC6_aP20_1_6a_2a_12a:Co-Li-O +mp-759301,Li(CoO2)3,-6.660277836,-1.3688769841,0.0156807424,0.0156807424,GGA+U,Cc,A3BC6_mC40_9_3a_a_6a:Co-Li-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_9_3a_a_11a:Co-Li-O, expected LiCo3O11 to be Li(CoO2)3" +mp-752635,Li(CoO2)3,-6.66695864,-1.3755577881,0.0089999384,0.0089999384,GGA+U,C2/m,A3BC6_mC20_12_ag_d_ij:Co-Li-O,20.0,"Invalid WP multiplicities - A3BC6_mC20_12_a2g_c_ij:Co-Li-O, expected LiCo5O6 to be Li(CoO2)3" +mp-1285961,Li(CoO2)3,-6.648701166,-1.3573003141,0.0272574124,0.0272574124,GGA+U,C2/m,A3BC6_mC40_12_adgh_i_2i2j:Co-Li-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_12_ad2gh_i_4i8j:Co-Li-O, expected Li(CoO5)4 to be Li(CoO2)3" +mp-1307826,Li(CoO2)3,-6.6387193975,-1.3473185456,0.0372391809,0.0372391809,GGA+U,C2/m,A3BC6_mC40_12_adgh_i_2i2j:Co-Li-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_12_acgh_i_4i8j:Co-Li-O, expected LiCo3O20 to be Li(CoO2)3" +mp-759246,Li3(CoO2)4,-6.425350538,-1.5097805733,0.1316328242,0.1316328242,GGA+U,P1,A4B3C8_aP15_1_4a_3a_8a:Co-Li-O,15.0,A4B3C8_aP15_1_4a_3a_8a:Co-Li-O +mp-1297722,Li3(CoO2)4,-6.4891917913,-1.5736218267000002,0.0677915709,0.0677915709,GGA+U,P1,A4B3C8_aP30_1_8a_6a_16a:Co-Li-O,30.0,A4B3C8_aP30_1_8a_6a_16a:Co-Li-O +mp-801079,Li3(CoO2)4,-6.050071058,-1.1345010933,0.5069123042,0.5069123042,GGA+U,P-1,A4B3C8_aP15_2_acef_bdg_4i:Co-Li-O,15.0,A4B3C8_aP15_1_4a_3a_8a:Co-Li-O +mp-1298652,Li3(CoO2)4,-6.4419874803,-1.5264175157,0.1149958819,0.1149958819,GGA+U,P-1,A4B3C8_aP30_2_abcdefgh_3i_8i:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_aP30_2_abc2d3e_3i_16i:Co-Li-O, expected Li3(CoO4)4 to be Li3(CoO2)4" +mp-1312267,Li3(CoO2)4,-6.487074797,-1.5715048323,0.0699085652,0.0699085652,GGA+U,P-1,A4B3C8_aP30_2_abcdefgh_3i_8i:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_aP30_2_abcdef2g_3i_16i:Co-Li-O, expected Li3(CoO4)4 to be Li3(CoO2)4" +mp-1396064,Li3(CoO2)4,-4.117278196,0.7982917687000001,2.4397051662,2.4397051662,GGA+U,P-1,A4B3C8_aP15_2_adef_bcg_4i:Co-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_aP15_2_adef_bcg_7i:Co-Li-O, expected Li3(Co2O7)2 to be Li3(CoO2)4" +mp-1303525,Li3(CoO2)4,-6.4987716377,-1.583201673,0.0582117246,0.0582117246,GGA+U,P2/m,A4B3C8_mP30_10_abgho_ceo_2m2n2o:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_mP30_10_abdeo_cho_4m4n8o:Co-Li-O, expected Li3(CoO6)4 to be Li3(CoO2)4" +mp-1045644,Li3(CoO2)4,-6.4509799547,-1.53540999,0.1060034076,0.1060034076,GGA+U,C2/m,A4B3C8_mC30_12_hi_ae_2ij:Co-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_mC30_12_g2i_ce_4i2j:Co-Li-O, expected Li3(Co3O8)2 to be Li3(CoO2)4" +mp-1177904,Li3(CoO2)4,-6.4391944327,-1.523624468,0.1177889296,0.1177889296,GGA+U,C2/m,A4B3C8_mC30_12_acf_be_gh2i:Co-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_mC30_12_ac2e_bf_g2h4i:Co-Li-O, expected Li3(Co3O7)2 to be Li3(CoO2)4" +mp-1303299,Li3(CoO2)4,-6.42741849,-1.5118485253,0.1295648722,0.1295648722,GGA+U,C2/m,A4B3C8_mC60_12_abcdef_ij_4i2j:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_mC60_12_abcd2e2f_ij_8i8j:Co-Li-O, expected Li(CoO4)2 to be Li3(CoO2)4" +mp-1302545,Li3(CoO2)4,-6.50138325,-1.5858132853,0.0556001122,0.0556001122,GGA+U,C2/c,A4B3C8_mC60_15_abcd_ef_4f:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_mC60_15_2ab2c2d_ef_8f:Co-Li-O, expected Li3Co7O16 to be Li3(CoO2)4" +mp-1303680,Li3(CoO2)4,-6.4621387603,-1.5465687957,0.0948446019,0.0948446019,GGA+U,C2/c,A4B3C8_mC60_15_ab2e_cf_4f:Co-Li-O,30.0,"Invalid WP multiplicities - A4B3C8_mC60_15_cd3e_a2f_11f:Co-Li-O, expected Li5Co5O22 to be Li3(CoO2)4" +mp-850808,Li3(CoO2)4,-6.4893170127,-1.573747048,0.0676663496,0.0676663496,GGA+U,R-3m,A4B3C8_hR45_166_ae_d_ch:Co-Li-O,30.0,A4B3C8_hR45_166_ae_d_ch:Co-Li-O +mp-759191,Li3(CoO2)4,-6.504550208,-1.5889802433,0.0524331542,0.0524331542,GGA+U,R-3m,A4B3C8_hR45_166_ad_e_ch:Co-Li-O,15.0,"Invalid WP multiplicities - A4B3C8_hR45_166_ad_e_2ch:Co-Li-O, expected Li3(Co2O5)2 to be Li3(CoO2)4" +mp-773572,LiCo6O7,-6.9460946979,-1.2899767968,0.1286267855,0.1286267855,GGA+U,R-3,A6BC7_hR42_148_f_a_bf:Co-Li-O,14.0,"Invalid WP multiplicities - A6BC7_hR42_148_f_a_b2f:Co-Li-O, expected LiCo6O13 to be LiCo6O7" +mp-771968,LiCo8O9,-7.0337949817,-1.2951470023,0.0937706185,0.0937706185,GGA+U,P-1,A8BC9_aP18_2_4i_b_c4i:Co-Li-O,18.0,"Invalid WP multiplicities - A8BC9_aP18_2_8i_b_c8i:Co-Li-O, expected LiCo16O17 to be LiCo8O9" +mp-755398,LiCo3O4,-6.7865100212,-1.4089311342,0.1098625681,0.1098625681,GGA+U,Cmmm,A3BC4_oC16_65_af_b_gj:Co-Li-O,8.0,"Invalid WP multiplicities - A3BC4_oC16_65_a2f_b_2hi:Co-Li-O, expected LiCo5O6 to be LiCo3O4" +mp-1222499,LiCo3O4,-6.6990099325,-1.3214310454,0.1973626569,0.1973626569,GGA+U,I4/mmm,A3BC4_tI16_139_ad_b_ce:Co-Li-O,8.0,"Invalid WP multiplicities - A3BC4_tI16_139_a2d_b_2c2e:Co-Li-O, expected LiCo5O8 to be LiCo3O4" +mp-755926,Li3CoO3,-5.7936591179,-1.8400658995,0.0451267621,0.0451267621,GGA+U,P-1,AB3C3_aP14_2_i_3i_3i:Co-Li-O,14.0,"Invalid WP multiplicities - AB3C3_aP14_2_i_5i_5i:Co-Li-O, expected Li5CoO5 to be Li3CoO3" +mp-867660,Li3CoO3,-5.6155525914,-1.6619593730000002,0.2232332886,0.2232332886,GGA+U,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Co-Li-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Co-Li-O, expected Li8CoO7 to be Li3CoO3" +mp-755939,Li9(CoO4)2,-5.55718398,-1.8218970811,0.0865078892,0.0865078892,GGA+U,C2,A2B9C8_mC38_5_ab_2ab3c_4c:Co-Li-O,19.0,"Invalid WP multiplicities - A2B9C8_mC38_5_ab_2ab6c_8c:Co-Li-O, expected Li15(CoO8)2 to be Li9(CoO4)2" +mp-768425,Li9(CoO4)2,-5.5690199521,-1.8337330532,0.0746719171,0.0746719171,GGA+U,P2/m,A2B9C8_mP38_10_mn_il2mn2o_2m2n2o:Co-Li-O,38.0,"Invalid WP multiplicities - A2B9C8_mP38_10_2mn_ij2m4n4o_4m4n3o:Co-Li-O, expected Li16Co3O14 to be Li9(CoO4)2" +mp-776979,Li9(CoO4)2,-5.5902190161,-1.8549321171,0.0534728532,0.0534728532,GGA+U,Pca2_1,A2B9C8_oP76_29_2a_9a_8a:Co-Li-O,76.0,"Invalid WP multiplicities - A2B9C8_oP76_29_2a_16a_14a:Co-Li-O, expected Li8CoO7 to be Li9(CoO4)2" +mp-1222581,LiCo4O5,-6.847830851,-1.3402670907,0.1317712222,0.1317712222,GGA+U,I4/m,A4BC5_tI20_87_h_a_bh:Co-Li-O,10.0,"Invalid WP multiplicities - A4BC5_tI20_87_h_a_b2h:Co-Li-O, expected LiCo4O9 to be LiCo4O5" +mp-763507,LiCoGeO4,-6.6200391514,-1.8447500998,0.0653952972,0.0653952972,GGA+U,Pc,ABCD4_mP14_7_a_a_a_4a:Co-Ge-Li-O,14.0,"Invalid WP multiplicities - ABCD4_mP14_7_a_a_a_8a:Co-Ge-Li-O, expected LiCoGeO8 to be LiCoGeO4" +mp-756207,LiCoGeO4,-6.6151057286,-1.8398166769,0.0703287201,0.0703287201,GGA+U,Pc,ABCD4_mP14_7_a_a_a_4a:Co-Ge-Li-O,14.0,"Invalid WP multiplicities - ABCD4_mP14_7_a_a_a_8a:Co-Ge-Li-O, expected LiCoGeO8 to be LiCoGeO4" +mp-531078,Li13Co11O24,-6.3647099283,-1.745376135,0.0145190906,0.0145190906,GGA+U,P2_1/c,A11B13C24_mP96_14_a5e_bcd5e_12e:Co-Li-O,96.0,"Invalid WP multiplicities - A11B13C24_mP96_14_2a16e_2b2c2d18e_46e:Co-Li-O, expected Li21Co17O46 to be Li13Co11O24" +mp-1174212,Li4Co3O7,-6.2411959293,-1.6992340843,0.0658929818,0.0658929818,GGA+U,P1,A3B4C7_aP28_1_6a_8a_14a:Co-Li-O,28.0,A3B4C7_aP28_1_6a_8a_14a:Co-Li-O +mp-1174179,Li4Co3O7,-6.2534819246,-1.7115200796,0.0536069864,0.0536069864,GGA+U,P-1,A3B4C7_aP28_2_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ac3i_14i:Co-Li-O, expected Li2Co2O7 to be Li4Co3O7" +mp-1174191,Li4Co3O7,-6.2490641679,-1.7071023228,0.0580247432,0.0580247432,GGA+U,P-1,A3B4C7_aP28_2_3i_bd3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_3i_bd5i_14i:Co-Li-O, expected Li6Co3O14 to be Li4Co3O7" +mp-1174197,Li4Co3O7,-6.2428488057,-1.7008869607,0.0642401054,0.0642401054,GGA+U,P-1,A3B4C7_aP28_2_3i_ab3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ab6i_14i:Co-Li-O, expected Li7(Co2O7)2 to be Li4Co3O7" +mp-1174228,Li4Co3O7,-6.2188906014,-1.6769287564000002,0.0881983096,0.0881983096,GGA+U,P-1,A3B4C7_aP28_2_3i_ae3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_3i_ae5i_14i:Co-Li-O, expected Li6Co3O14 to be Li4Co3O7" +mp-1174233,Li4Co3O7,-6.1749951254,-1.6330332803,0.1320937857,0.1320937857,GGA+U,P-1,A3B4C7_aP28_2_3i_ad3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ad5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174237,Li4Co3O7,-6.1997387107,-1.6577768657,0.1073502004,0.1073502004,GGA+U,P-1,A3B4C7_aP28_2_3i_bd3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_3i_bd5i_14i:Co-Li-O, expected Li6Co3O14 to be Li4Co3O7" +mp-1174239,Li4Co3O7,-6.2255560907,-1.6835942457000002,0.0815328204,0.0815328204,GGA+U,P-1,A3B4C7_aP28_2_3i_ae3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ae5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174257,Li4Co3O7,-6.2095246061000005,-1.667562761,0.097564305,0.097564305,GGA+U,P-1,A3B4C7_aP28_2_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ac5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174269,Li4Co3O7,-6.2210800493,-1.6791182043,0.0860088618,0.0860088618,GGA+U,P-1,A3B4C7_aP28_2_3i_ae3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ae5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174276,Li4Co3O7,-6.2300702014,-1.6881083564,0.0770187096,0.0770187096,GGA+U,P-1,A3B4C7_aP28_2_3i_be3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_3i_be4i_14i:Co-Li-O, expected Li5Co3O14 to be Li4Co3O7" +mp-1174298,Li4Co3O7,-6.2359624161,-1.694000571,0.071126495,0.071126495,GGA+U,P-1,A3B4C7_aP28_2_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_3i_ac6i_14i:Co-Li-O, expected Li7Co3O14 to be Li4Co3O7" +mp-1174327,Li4Co3O7,-6.2052894186,-1.6633275735000002,0.1017994925,0.1017994925,GGA+U,P-1,A3B4C7_aP28_2_3i_ab3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ab5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174339,Li4Co3O7,-6.1936346129,-1.6516727678,0.1134542982,0.1134542982,GGA+U,P-1,A3B4C7_aP28_2_3i_be3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_be5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1366652,Li4Co3O7,-4.6142002846,-0.0722384396,1.6928886264,1.6928886264,GGA+U,P-1,A3B4C7_aP28_2_3i_ad3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_aP28_2_4i_ad5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174222,Li4Co3O7,-6.2235154107,-1.6815535657,0.0835735004,0.0835735004,GGA+U,C2/m,A3B4C7_mC56_12_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ad6i_14i:Co-Li-O, expected Li7(Co2O7)2 to be Li4Co3O7" +mp-1174250,Li4Co3O7,-6.2421188582,-1.7001570132,0.0649700529,0.0649700529,GGA+U,C2/m,A3B4C7_mC56_12_3g_ad3h_i3j:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4g_ac5h_2i10j:Co-Li-O, expected Li3Co2O11 to be Li4Co3O7" +mp-1174291,Li4Co3O7,-6.2475852036,-1.7056233585,0.0595037075,0.0595037075,GGA+U,C2/m,A3B4C7_mC56_12_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ad5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174331,Li4Co3O7,-6.2235454443,-1.6815835993,0.0835434668,0.0835434668,GGA+U,C2/m,A3B4C7_mC56_12_3i_ad3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_3i_ad5i_14i:Co-Li-O, expected Li6Co3O14 to be Li4Co3O7" +mp-1174353,Li4Co3O7,-6.1683014093,-1.6263395643,0.1387875018,0.1387875018,GGA+U,C2/m,A3B4C7_mC56_12_3i_ad3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ac5i_13i:Co-Li-O, expected Li6Co4O13 to be Li4Co3O7" +mp-1174371,Li4Co3O7,-6.2189448868,-1.6769830418,0.0881440243,0.0881440243,GGA+U,C2/m,A3B4C7_mC56_12_3i_ad3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_3i_ac5i_14i:Co-Li-O, expected Li6Co3O14 to be Li4Co3O7" +mp-1174390,Li4Co3O7,-6.2237664604,-1.6818046153,0.0833224507,0.0833224507,GGA+U,C2/m,A3B4C7_mC56_12_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ad5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1174408,Li4Co3O7,-6.1949174825,-1.6529556375,0.1121714286,0.1121714286,GGA+U,C2/m,A3B4C7_mC56_12_3i_ac3i_7i:Co-Li-O,28.0,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ac3i_14i:Co-Li-O, expected Li2Co2O7 to be Li4Co3O7" +mp-1174520,Li4Co3O7,-6.0994189596,-1.5574571146,0.2076699514,0.2076699514,GGA+U,R-3m,A3B4C7_hR84_166_3c_ab3c_7c:Co-Li-O,,"Invalid WP multiplicities - A3B4C7_mC56_12_4i_ac5i_14i:Co-Li-O, expected Li3Co2O7 to be Li4Co3O7" +mp-1277330,Li2CoO2,-5.893236734,-1.7293285438,0.0395309964,0.0395309964,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Co-Li-O,10.0,AB2C2_mC10_12_a_i_i:Co-Li-O +mp-755133,Li2CoO2,-5.834029442,-1.6701212518,0.0987382884,0.0987382884,GGA+U,Immm,AB2C2_oI10_71_a_e_f:Co-Li-O,5.0,AB2C2_oI10_71_a_e_f:Co-Li-O +mp-755297,Li2CoO2,-5.907063516,-1.7431553258,0.0257042144,0.0257042144,GGA+U,P-3m1,AB2C2_hP5_164_a_d_d:Co-Li-O,5.0,AB2C2_hP5_164_a_d_d:Co-Li-O +mp-1114112,Rb2YTlBr6,-4.010803251,-1.9999680125,0.018382255,0.018382255,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Rb-Tl-Y +mp-1205929,Ba2GdPaO6,-9.417724719,-3.7068378142,0.0,-0.088628561,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Pa +mp-17143,BaGd2O4,-10.7289413196,-3.6063735675,0.0,-0.0164544889,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Gd-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Gd-O +mp-37014,GdPaO4,-11.3770864767,-4.1474961858,0.0,-0.4859532171,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Gd-O-Pa,12.0,AB4C_tI24_141_a_f_b:Gd-O-Pa +mp-976848,NiRuO3,-6.140766374,-0.1618453032,1.200749332,1.200749332,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Ru,5.0,AB3C_cP5_221_b_c_a:Ni-O-Ru +mp-1212954,Er2NiRuO6,-8.0603132585,-2.6733023478,0.0369237065,0.0369237065,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Er-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Er-Ni-O-Ru +mp-1189736,ErNiO3,-7.554328853999999,-2.5167445292,0.001576707,0.0010068514,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Er-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Er-Ni-O +mp-18983,ErNiO3,-7.555905561,-2.5183212363000003,0.0,-0.0005698556,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Er-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Er-Ni-O +mp-30902,Er2Ru2O7,-8.2722419482,-2.6075997956,0.0324318345,0.0324318345,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Er-O-Ru +mp-862615,Er2NiRu,-6.4984685225,-0.4509743125,0.0,-0.0222439134,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Ni-Ru +mp-1112226,Rb2HgMoF6,-4.942001622,-2.4840743795,0.1209883657,0.1209883657,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mo-Rb +mp-1095838,Na2TlHg,-0.7210131125,0.6068304121,0.786981005,0.7867348231,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Na-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Na-Tl +mp-1221252,Na2TlHg,-1.5079941175,-0.1801505929,0.0,-0.0002461819,GGA,F-43m,AB2C_cF16_216_a_bc_d:Hg-Na-Tl,4.0,AB2C_cF16_216_a_bc_d:Hg-Na-Tl +mp-998710,TlHgF3,-3.50921778,-1.8290656972,0.0130245282,-0.0182259705,GGA,P1,A3BC_aP5_1_3a_a_a:F-Hg-Tl,5.0,A3BC_aP5_1_3a_a_a:F-Hg-Tl +mp-998758,TlHgF3,-3.5222423083,-1.8420902254,0.0,-0.0312504987,GGA,Pbam,A3BC_oP40_55_efghi_i_gh:F-Hg-Tl,40.0,A3BC_oP40_55_efghi_i_gh:F-Hg-Tl +mp-1111023,Na2TlHgF6,-3.797079034,-2.1190542436,0.2062871583,0.2062871583,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Tl +mp-1096090,NaTl2Hg,-0.7934747350000001,0.7943982529,0.9229086858,0.9229086858,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Na-Tl,4.0,ABC2_oI8_71_a_b_e:Hg-Na-Tl +mp-1095995,NaTlHg2,-0.53729895,0.5358333425,0.7123553792,0.7123553792,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Na-Tl,4.0,A2BC_oI8_71_e_a_b:Hg-Na-Tl +mp-1186188,NaTlHg2,-1.24120825,-0.1680759575,0.0084460792,0.0084460792,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Na-Tl,4.0,A2BC_cF16_225_c_a_b:Hg-Na-Tl +mp-1110749,Rb2LiMoI6,-3.480921042,-1.1253371198,0.1060287696,0.1060287696,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Li-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Li-Mo-Rb +mp-4582,NdRhO3,-7.8904300875,-2.4959258003,0.0,-0.0558591255,GGA,Pnma,AB3C_oP20_62_c_cd_a:Nd-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Nd-O-Rh +mp-1235272,LiNd4(RhO3)4,-7.523105151,-2.2945809313,0.1893117913,0.1893117913,GGA,Pm,AB4C12D4_mP21_6_a_2a2b_2a2b4c_2c:Li-Nd-O-Rh,21.0,"Invalid WP multiplicities - AB4C12D4_mP21_6_a_2a2b_2a2b7c_3c:Li-Nd-O-Rh, expected LiNd4(RhO3)6 to be LiNd4(RhO3)4" +mp-1235273,LiNd4(RhO3)4,-7.6141363829,-2.3856121633000003,0.0982805593,0.0982805593,GGA,Pm,AB4C12D4_mP21_6_a_2a2b_2a2b4c_2c:Li-Nd-O-Rh,21.0,"Invalid WP multiplicities - AB4C12D4_mP21_6_a_2a2b_2a2b7c_3c:Li-Nd-O-Rh, expected LiNd4(RhO3)6 to be LiNd4(RhO3)4" +mp-1185389,LiNd2Rh,-5.0442109675,-0.3418295671,0.0604744592,0.0604744592,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Nd-Rh,4.0,AB2C_cF16_225_a_c_b:Li-Nd-Rh +mp-28980,K3BiSe3,-3.6838924032,-1.1611180598,0.0,-0.0892088363,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-K-Se,28.0,AB3C3_cP28_198_a_3a_b:Bi-K-Se +mp-1223436,KBiSe2,-3.7880105175,-0.8023327594,0.1756462168,0.1756462168,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-K-Se,4.0,ABC2_tP4_123_a_d_bc:Bi-K-Se +mp-36539,KBiSe2,-3.9093462187,-0.9236684607,0.0543105155,0.0543105155,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Bi-K-Se,8.0,ABC2_tI16_141_a_b_e:Bi-K-Se +mp-1224244,K2Bi8Se13,-4.1918433043,-0.7835146025,0.0272504278,0.0014686057,GGA,P2_1/m,A8B2C13_mP46_11_8e_2e_13e:Bi-K-Se,46.0,A8B2C13_mP46_11_8e_2e_13e:Bi-K-Se +mp-28800,K2Bi8Se13,-4.2190937322,-0.8107650303,0.0,-0.0257818221,GGA,C2/m,A8B2C13_mC46_12_4i_i_a6i:Bi-K-Se,23.0,"Invalid WP multiplicities - A8B2C13_mC46_12_5i_i_a8i:Bi-K-Se, expected K2Bi10Se17 to be K2Bi8Se13" +mp-865961,K3Bi(AsSe2)6,-4.2009623859,-0.6974471981,0.0,-0.0157996452,GGA,P-3,A6BC3D12_hP22_147_g_a_bd_2g:As-Bi-K-Se,22.0,A6BC3D12_hP22_147_g_a_bd_2g:As-Bi-K-Se +mp-1199765,Gd3Al2(Ni2H3)3,-6.2082246725,-0.4614810293,0.1405697518,0.1405697518,GGA,Im-3m,A2B3C9D6_cI80_229_c_e_abdf_h:Al-Gd-H-Ni,40.0,A2B3C9D6_cI80_229_c_e_abdf_h:Al-Gd-H-Ni +mp-570887,K2Ag2SnSe4,-3.72290588,-0.8474472504,0.0,-0.0060804907,GGA,P2/c,A2B2C4D_mP18_13_g_ae_2g_f:Ag-K-Se-Sn,18.0,"Invalid WP multiplicities - A2B2C4D_mP18_13_g_2a2e_5g_f:Ag-K-Se-Sn, expected K4Ag2SnSe10 to be K2Ag2SnSe4" +mp-1223690,KAgSnSe3,-3.8964450379,-0.8230681649,0.0,-0.0150422943,GGA,P4cc,ABC3D_tP48_103_d_2a2b_3d_2c:Ag-K-Se-Sn,48.0,ABC3D_tP48_103_d_2a2b_3d_2c:Ag-K-Se-Sn +mp-571594,K3AgSn3Se8,-3.9943163267,-0.916998978,0.0046867562,0.0046867562,GGA,P4/nbm,AB3C8D3_tP30_125_c_ag_2m_dh:Ag-K-Se-Sn,30.0,"Invalid WP multiplicities - AB3C8D3_tP30_125_c_2a2g_10m_2d2h:Ag-K-Se-Sn, expected K6Ag(Sn3Se20)2 to be K3AgSn3Se8" +mp-27761,Li3ThF7,-5.97820787,-3.5672097225,0.2091637416,0.2091637416,GGA,P4/ncc,A7B3C_tP44_130_cfg_bf_c:F-Li-Th,44.0,"Invalid WP multiplicities - A7B3C_tP44_130_c2fg_2b2f_c:F-Li-Th, expected Li6ThF9 to be Li3ThF7" +mp-1196169,LiThF5,-6.8223579525,-4.125189959,0.0,-0.0068472282,GGA,I4_1/a,A5BC_tI112_88_5f_f_f:F-Li-Th,56.0,A5BC_tI112_88_5f_f_f:F-Li-Th +mp-558769,Na3Li4Th6F31,-6.6725315522,-4.0511164422,0.0093132361,0.0093132361,GGA,P3c1,A31B4C3D6_hP88_158_a10d_bd_abc_2d:F-Li-Na-Th,88.0,"Invalid WP multiplicities - A31B4C3D6_hP88_158_2a53d_b2d_a2b2c_10d:F-Li-Na-Th, expected Na5Li7Th30F161 to be Na3Li4Th6F31" +mp-669410,K2Mn(SnSe3)2,-4.6144027102,-0.943727641,0.0,-0.0211609368,GGA,P4/ncc,A2BC6D2_tP44_130_2c_b_fg_e:K-Mn-Se-Sn,44.0,"Invalid WP multiplicities - A2BC6D2_tP44_130_4c_b_7f7g_e:K-Mn-Se-Sn, expected K4Mn(SnSe21)2 to be K2Mn(SnSe3)2" +mp-628305,K2MnSnSe4,-4.6953719197,-1.0233680507,0.0,-0.0222995555,GGA,P-4n2,A2BC4D_tP32_118_acf_bd_2i_g:K-Mn-Se-Sn,32.0,"Invalid WP multiplicities - A2BC4D_tP32_118_ac3f_bd_9i_g:K-Mn-Se-Sn, expected K4MnSnSe18 to be K2MnSnSe4" +mp-1212465,KCeAgTe4,-4.2913011921,-1.0842629523,0.1530185548,0.1530185548,GGA,Pmn2_1,ABCD4_oP14_31_a_a_a_4a:Ag-Ce-K-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_a_c_c_4c3f:Ag-Ce-K-Te, expected KCeAgTe10 to be KCeAgTe4" +mp-680045,K2CeAg3Te4,-3.8565771845,-0.9340993213,0.0734916482,0.0734916482,GGA,Pnma,A3BC2D4_oP40_62_3c_c_2c_4c:Ag-Ce-K-Te,40.0,"Invalid WP multiplicities - A3BC2D4_oP40_62_7c_c_6c_15c:Ag-Ce-K-Te, expected K6CeAg7Te15 to be K2CeAg3Te4" +mp-1212527,KCeTe4,-3.8742225133,-0.6047705674,0.8143403483,0.8143403483,GGA,P4/mmm,ABC4_tP12_123_e_f_s:Ce-K-Te,12.0,ABC4_tP12_123_e_f_s:Ce-K-Te +mp-1113143,Cs2InHgF6,-4.206390131,-2.5748858666,0.0629734008,0.0629734008,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-In,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-In +mp-1112208,K2HgAsBr6,-2.92804786,-1.2778711956,0.067595041,0.067595041,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Hg-K +mp-772159,La6Cu6O17,-7.2294340452,-2.4602964334,0.0312085599,0.0312085599,GGA,C2/m,A6B6C17_mC58_12_acfg_ij_bgh2i2j:Cu-La-O,29.0,"Invalid WP multiplicities - A6B6C17_mC58_12_bceg_2i2j_a2g2h4i6j:Cu-La-O, expected La12Cu6O41 to be La6Cu6O17" +mp-766360,La6Cu6O17,-7.2212406055,-2.4521029938,0.0394019995,0.0394019995,GGA,P312,A6B6C17_hP29_149_jk_ghi_abcde2l:Cu-La-O,29.0,"Invalid WP multiplicities - A6B6C17_hP29_149_2j2k_gh2i_abcde6l:Cu-La-O, expected La8Cu12O41 to be La6Cu6O17" +mp-1193752,CuTeO5,-5.0458536046,-0.4778598733,0.5871790438,0.5871790438,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Cu-O-Te,28.0,AB5C_oP28_19_a_5a_a:Cu-O-Te +mp-1193783,CuTeO5,-4.9624952982,-0.3945015668,0.6705373502,0.6705373502,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Cu-O-Te,28.0,AB5C_oP28_19_a_5a_a:Cu-O-Te +mp-1041481,CuTe2O7,-5.5190383658,-1.0177744223,0.2621915267,0.2621915267,GGA,P2/c,AB7C2_mP60_13_eg_f10g_3g:Cu-O-Te,60.0,"Invalid WP multiplicities - AB7C2_mP60_13_2e3g_2f38g_9g:Cu-O-Te, expected Cu4(Te3O13)3 to be CuTe2O7" +mp-849992,La20Cu9O40,-7.8499590249,-3.0169075672,0.0646470901,0.0646470901,GGA,P-1,A9B20C40_aP69_2_a4i_10i_20i:Cu-La-O,69.0,"Invalid WP multiplicities - A9B20C40_aP69_2_a7i_20i_40i:Cu-La-O, expected La8Cu3O16 to be La20Cu9O40" +mp-546790,LaCuTeO,-6.4590908225,-2.1777887276,0.0086277181,0.0086277181,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-La-O-Te,8.0,ABCD_tP8_129_a_c_b_c:Cu-La-O-Te +mp-9416,La(CuO2)2,-6.7482336614000005,-2.04520862,0.0,-0.04378604,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-La-O,14.0,A2BC4_tI28_88_c_b_f:Cu-La-O +mp-675164,La12Cu10O31,-7.329189408299999,-2.5448214459000003,0.0898130864,0.0898130864,GGA,C2,A10B12C31_mC106_5_ab4c_6c_2ab14c:Cu-La-O,53.0,"Invalid WP multiplicities - A10B12C31_mC106_5_ab7c_9c_2ab26c:Cu-La-O, expected La18Cu16O55 to be La12Cu10O31" +mp-1188594,Cu2TeO6,-5.5730695761,-1.015086076,0.0449142996,0.0449142996,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:Cu-O-Te,18.0,A2B6C_mP18_14_e_3e_a:Cu-O-Te +mp-680389,La8Cu7O19,-7.3758445785,-2.6061507831,0.0662562149,0.0662562149,GGA,P-1,A7B8C19_aP68_2_7i_8i_19i:Cu-La-O,68.0,"Invalid WP multiplicities - A7B8C19_aP68_2_11i_16i_37i:Cu-La-O, expected La16Cu11O37 to be La8Cu7O19" +mp-1181551,La8Cu7O19,-7.3780124426,-2.6083186472,0.0640883507,0.0640883507,GGA,C2/c,A7B8C19_mC136_15_e3f_4f_e9f:Cu-La-O,68.0,"Invalid WP multiplicities - A7B8C19_mC136_15_2e9f_14f_2e34f:Cu-La-O, expected La14(Cu2O7)5 to be La8Cu7O19" +mp-755455,CuTeO4,-5.7139274367,-1.2090495353,0.0291368033,0.0005177375,GGA,P2/m,AB4C_mP6_10_c_mn_e:Cu-O-Te,6.0,"Invalid WP multiplicities - AB4C_mP6_10_a_2m2n_e:Cu-O-Te, expected CuTeO8 to be CuTeO4" +mp-22420,CuTeO4,-5.7363773933,-1.2314994919,0.0066868467,-0.0219322192,GGA,P2_1/c,AB4C_mP24_14_ac_4e_e:Cu-O-Te,24.0,"Invalid WP multiplicities - AB4C_mP24_14_2a2c_15e_e:Cu-O-Te, expected Cu2TeO15 to be CuTeO4" +mp-1040999,CuTeO4,-5.5619875998,-1.0571096984,0.1810766402,0.1524575744,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-Te,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-Te, expected Cu6Te5O26 to be CuTeO4" +mp-2224869,CuTeO4,-5.74306424,-1.2381863386,0.0,-0.0286190658,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Cu-O-Te,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2g2j_c:Cu-O-Te, expected CuTeO8 to be CuTeO4" +mp-770931,CuTeO4,-5.6562191017,-1.1513412003,0.0868451383,0.0582260725,GGA,Imma,AB4C_oI24_74_a_hi_c:Cu-O-Te,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2h3i_c:Cu-O-Te, expected CuTeO10 to be CuTeO4" +mp-20072,LaCuO2,-7.4219872675,-2.6898394681,0.0,-0.0261743467,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-La-O,4.0,ABC2_hR12_166_a_b_c:Cu-La-O +mp-772213,La4CuO8,-7.9881730577,-3.1099619208,0.0581068812,0.0581068812,GGA,Cmmm,AB4C8_oC26_65_a_gh_ghn:Cu-La-O,13.0,"Invalid WP multiplicities - AB4C8_oC26_65_a_gh_gh2n:Cu-La-O, expected La4CuO12 to be La4CuO8" +mp-558696,CuTeO3,-5.656018842,-1.2395031026,0.0351998402,0.0351998402,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cu-O-Te,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Cu-O-Te, expected CuTeO9 to be CuTeO3" +mp-4320,CuTeO3,-5.6465890923,-1.2300733528,0.04462959,0.04462959,GGA,Pnma,AB3C_oP40_62_d_2c2d_2c:Cu-O-Te,40.0,AB3C_oP40_62_d_2c2d_2c:Cu-O-Te +mp-20977,CuTeO3,-5.632032828,-1.2155170886,0.0591858542,0.0591858542,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cu-O-Te,20.0,AB3C_oP20_62_a_cd_c:Cu-O-Te +mp-27548,CuTe2O5,-5.7201696222,-1.3302618706,0.0272590356,0.0272590356,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cu-O-Te,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_16e_3e:Cu-O-Te, expected CuTe3O16 to be CuTe2O5" +mp-654033,La2Cu2O5,-7.2678892172,-2.5119035388,0.06448882,0.06448882,GGA,P1,A2B2C5_aP54_1_12a_12a_30a:Cu-La-O,54.0,"Invalid WP multiplicities - A2B2C5_mC108_15_8f_8f_2e25f:Cu-La-O, expected La4Cu4O13 to be La2Cu2O5" +mp-1178323,La2Cu2O5,-7.2676341885,-2.51164851,0.0647438487,0.0647438487,GGA,P-1,A2B2C5_aP27_2_3i_3i_a7i:Cu-La-O,27.0,"Invalid WP multiplicities - A2B2C5_aP27_2_6i_6i_a14i:Cu-La-O, expected La12Cu12O29 to be La2Cu2O5" +mp-1172887,La2Cu2O5,-7.2701402602,-2.5141545817,0.062237777,0.062237777,GGA,C2/c,A2B2C5_mC108_15_3f_3f_e7f:Cu-La-O,54.0,"Invalid WP multiplicities - A2B2C5_mC108_15_7f_8f_2e25f:Cu-La-O, expected La8Cu7O26 to be La2Cu2O5" +mp-1076053,La2Cu2O5,-7.2390228022,-2.4830371237,0.093355235,0.093355235,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cu-La-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cu-La-O +mp-5696,La2Cu2O5,-7.281186095,-2.5252004165,0.0511919422,0.0511919422,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Cu-La-O,18.0,A2B2C5_oP18_55_g_h_agh:Cu-La-O +mp-1147637,La2Cu2O5,-7.2944552106,-2.5384695321,0.0379228267,0.0379228267,GGA,P4_2/m,A2B2C5_tP18_84_j_j_ek:Cu-La-O,18.0,"Invalid WP multiplicities - A2B2C5_tP18_84_j_j_2e3k:Cu-La-O, expected LaCuO7 to be La2Cu2O5" +mp-673846,La2CuO4,-7.7879108231,-2.9653428624,0.0774063155,0.0739372775,GGA,Cmc2_1,AB2C4_oC84_36_3a_6a_6a3b:Cu-La-O,42.0,"Invalid WP multiplicities - AB2C4_oC84_36_4a_9a_10a9b:Cu-La-O, expected La9(CuO7)4 to be La2CuO4" +mp-1223234,La2CuO4,-7.7949774057,-2.9724094450000003,0.0703397329,0.0668706949,GGA,Fmm2,AB2C4_oF28_42_a_c_cd:Cu-La-O,7.0,AB2C4_oF28_42_a_c_cd:Cu-La-O +mp-36480,La2CuO4,-7.8073719557,-2.984803995,0.0579451829,0.0544761449,GGA,Cmce,AB2C4_oC28_64_a_f_ef:Cu-La-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_64_a_f_3e2f:Cu-La-O, expected La2CuO10 to be La2CuO4" +mp-1180676,La2CuO4,-7.7955377057,-2.9729697450000003,0.0697794329,0.0663103949,GGA,Cmce,AB2C4_oC28_64_a_f_ef:Cu-La-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_64_a_f_2e3f:Cu-La-O, expected La2CuO10 to be La2CuO4" +mp-19735,La2CuO4,-7.7948332414,-2.9722652807000003,0.0704838971,0.0670148592,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Cu-La-O,7.0,AB2C4_tI14_139_a_e_ce:Cu-La-O +mp-1077929,La2CuO4,-7.8653171386,-3.0427491779,0.0,-0.003469038,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-La-O,7.0,AB2C4_tI14_139_a_e_cd:Cu-La-O +mp-758138,La16Cu8O31,-7.7820985209,-2.9617873011,0.1052802185,0.1052802185,GGA,P1,A8B16C31_aP55_1_8a_16a_31a:Cu-La-O,55.0,A8B16C31_aP55_1_8a_16a_31a:Cu-La-O +mp-753437,La5Cu5O13,-7.2719628317,-2.5118314352,0.0448309915,0.0448309915,GGA,P2/m,A5B5C13_mP23_10_b2n_g2m_a2m4n:Cu-La-O,23.0,"Invalid WP multiplicities - A5B5C13_mP23_10_b3n_d4m_a3m8n:Cu-La-O, expected La9Cu7O23 to be La5Cu5O13" +mp-776310,La8Cu3O16,-7.9083148759,-3.0589557563,0.0730128848,0.0730128848,GGA,P1,A3B8C16_aP27_1_3a_8a_16a:Cu-La-O,27.0,A3B8C16_aP27_1_3a_8a_16a:Cu-La-O +mp-888651,La8Cu3O16,-7.0889072844,-2.2395481648,0.8924204762,0.8924204762,GGA,P-1,A3B8C16_aP27_2_bi_4i_ac7i:Cu-La-O,27.0,"Invalid WP multiplicities - A3B8C16_aP27_2_bi_7i_ac14i:Cu-La-O, expected La14(CuO10)3 to be La8Cu3O16" +mp-1178189,La8Cu3O16,-7.908958615199999,-3.0595994956,0.0723691455,0.0723691455,GGA,P-1,A3B8C16_aP54_2_be2i_8i_16i:Cu-La-O,54.0,"Invalid WP multiplicities - A3B8C16_aP54_2_be4i_15i_32i:Cu-La-O, expected La15Cu5O32 to be La8Cu3O16" +mp-1371146,La8Cu3O16,-6.5941369967,-1.7447778770000002,1.387190764,1.387190764,GGA,P-1,A3B8C16_aP27_2_bi_4i_ac7i:Cu-La-O,27.0,"Invalid WP multiplicities - A3B8C16_aP27_2_bi_7i_ac14i:Cu-La-O, expected La14(CuO10)3 to be La8Cu3O16" +mp-755032,Cu3(TeO5)2,-5.6206398673,-1.0838986067,0.0473761541,0.0473761541,GGA,P-1,A3B10C2_aP15_2_ai_5i_i:Cu-O-Te,15.0,"Invalid WP multiplicities - A3B10C2_aP15_2_ai_9i_i:Cu-O-Te, expected Cu3(TeO9)2 to be Cu3(TeO5)2" +mp-1402254,Cu3(TeO5)2,-2.7270515447,1.8096897159,2.9409644768,2.9409644768,GGA,P-1,A3B10C2_aP15_2_ai_5i_i:Cu-O-Te,15.0,"Invalid WP multiplicities - A3B10C2_aP15_2_ai_9i_i:Cu-O-Te, expected Cu3(TeO9)2 to be Cu3(TeO5)2" +mp-1147683,La4Cu3TeO12,-7.1358695265,-2.4086085836,0.1972162401,0.1972162401,GGA,Im-3m,A3B4C12D_cI40_229_b_c_de_a:Cu-La-O-Te,20.0,"Invalid WP multiplicities - A3B4C12D_cI40_229_b_c_2de_a:Cu-La-O-Te, expected La4Cu3TeO18 to be La4Cu3TeO12" +mp-757399,La12Cu6O25,-7.7619126956,-2.9364582058,0.0717977537,0.0717977537,GGA,C2,A6B12C25_mC86_5_3c_6c_2a3b10c:Cu-La-O,43.0,"Invalid WP multiplicities - A6B12C25_mC86_5_4c_11c_2a3b18c:Cu-La-O, expected La22Cu8O41 to be La12Cu6O25" +mp-756573,Cu(TeO3)4,-5.7158597076,-1.2433482501,0.0937751426,0.0937751426,GGA,P1,AB12C4_aP17_1_a_12a_4a:Cu-O-Te,17.0,AB12C4_aP17_1_a_12a_4a:Cu-O-Te +mp-21861,Cu3TeO6,-5.6142313603,-1.1021255432,0.0181586957,0.0181586957,GGA,Ia-3,A3B6C_cI80_206_d_e_a:Cu-O-Te,40.0,A3B6C_cI80_206_d_e_a:Cu-O-Te +mp-17598,Cu2Te3O8,-5.6915896438,-1.2914480508,0.0342197926,0.0342197926,GGA,C2/c,A2B8C3_mC52_15_f_4f_ef:Cu-O-Te,26.0,"Invalid WP multiplicities - A2B8C3_mC52_15_f_5f_ef:Cu-O-Te, expected Cu2Te3O10 to be Cu2Te3O8" +mp-1211660,La2CuTe2O,-5.0366824367,-0.8359288737,1.3494418099,1.3494418099,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-Te,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-Te +mp-3474,LaCuO3,-7.199675158,-2.4246191762,0.0,-0.0242465241,GGA,R-3c,ABC3_hR30_167_b_a_e:Cu-La-O,10.0,ABC3_hR30_167_b_a_e:Cu-La-O +mp-1076070,LaCuO3,-7.175454064,-2.4003980823,0.024221094,-2.54301e-05,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-La-O,5.0,ABC3_cP5_221_b_a_c:Cu-La-O +mp-1199337,Cu3TeO8,-5.3518766817,-0.7673403822,0.2013874796,0.2013874796,GGA,P2_1/c,A3B8C_mP48_14_3e_8e_e:Cu-O-Te,48.0,A3B8C_mP48_14_3e_8e_e:Cu-O-Te +mp-771321,Cs4GeO4,-4.9655893556,-1.855434668,0.0072879175,-0.0268244144,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:Cs-Ge-O,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_15e_e_13e:Cs-Ge-O, expected Cs15GeO13 to be Cs4GeO4" +mp-779716,Cs4GeO4,-4.9728772731,-1.8627225855,0.0,-0.0341123319,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:Cs-Ge-O,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_15e_e_15e:Cs-Ge-O, expected Cs15GeO15 to be Cs4GeO4" +mp-669353,Cs2TeO4,-5.3328067214,-1.8012545096,0.0,-0.1912834379,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-Te,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_6c_6c4d_c:Cs-O-Te, expected Cs6TeO14 to be Cs2TeO4" +mp-1203081,Cs2Te4O9,-5.6036929272,-1.6780778126,0.0,-0.0315021457,GGA,I-42d,A2B9C4_tI120_122_cd_c4e_2e:Cs-O-Te,60.0,A2B9C4_tI120_122_cd_c4e_2e:Cs-O-Te +mp-1226191,Cs2Ge(TeO4)3,-5.9086103717,-1.7306095487,0.0,-0.0523561763,GGA,R-3m,A2BC12D3_hR54_166_c_a_2h_d:Cs-Ge-O-Te,18.0,"Invalid WP multiplicities - A2BC12D3_hR54_166_c_a_9h_d:Cs-Ge-O-Te, expected Cs2Ge(TeO18)3 to be Cs2Ge(TeO4)3" +mp-561786,Cs(TeO3)2,-5.7434499078,-1.6476558604,0.0,-0.0970580153,GGA,R-3m,AB6C2_hR54_166_c_2h_ad:Cs-O-Te,18.0,"Invalid WP multiplicities - AB6C2_hR54_166_c_9h_a2d:Cs-O-Te, expected Cs2Te7O54 to be Cs(TeO3)2" +mp-1189034,Cs(TeO3)2,-5.74217152,-1.6463774726,0.0012783878,-0.0957796275,GGA,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-O-Te,18.0,AB6C2_cF72_227_a_f_d:Cs-O-Te +mp-1178450,Cs6Ge2O7,-5.2395408773,-1.9565214826,0.0,-0.0148795392,GGA,P2_1/c,A6B2C7_mP30_14_3e_e_a3e:Cs-Ge-O,30.0,"Invalid WP multiplicities - A6B2C7_mP30_14_9e_e_2a10e:Cs-Ge-O, expected Cs9GeO11 to be Cs6Ge2O7" +mp-984051,CsGeO3,-5.357084634,-1.2853853618,0.5740035453,0.5740035453,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Ge-O,5.0,ABC3_cP5_221_a_b_c:Cs-Ge-O +mp-1193606,Cs3GeTe3,-3.3906036921,-0.9992961705,0.0,-0.0835955855,GGA,C2/c,A3BC3_mC56_15_2e2f_f_3f:Cs-Ge-Te,28.0,A3BC3_mC56_15_2e2f_f_3f:Cs-Ge-Te +mp-1202492,Cs10Ge2O9,-4.7075109749,-1.7208310781,0.0456531535,0.0456531535,GGA,P2_1/c,A10B2C9_mP84_14_10e_2e_9e:Cs-Ge-O,84.0,A10B2C9_mP84_14_10e_2e_9e:Cs-Ge-O +mp-614803,Cs2TeO3,-5.1275136983,-1.8318175698,0.0,-0.114186869,GGA,P321,A2B3C_hP12_150_abd_g_d:Cs-O-Te,12.0,A2B3C_hP12_150_abd_g_d:Cs-O-Te +mp-504924,Cs2Te2O5,-5.3929100021,-1.7472588813,0.0,-0.0008522877,GGA,Pbca,A2B5C2_oP72_61_2c_5c_2c:Cs-O-Te,72.0,"Invalid WP multiplicities - A2B5C2_oP72_61_12c_31c_7c:Cs-O-Te, expected Cs12Te7O31 to be Cs2Te2O5" +mp-573150,Cs2GeO3,-5.6023374358,-2.0600209804,0.0,-0.0832662344,GGA,P2_1/c,A2BC3_mP72_14_6e_3e_9e:Cs-Ge-O,72.0,"Invalid WP multiplicities - A2BC3_mP72_14_23e_8e_34e:Cs-Ge-O, expected Cs23(Ge4O17)2 to be Cs2GeO3" +mp-662549,Cs2GeTe4,-3.5360964243,-0.8236598282,0.0,-0.010990758,GGA,Pnma,A2BC4_oP28_62_d_c_2cd:Cs-Ge-Te,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_d_c_6c4d:Cs-Ge-Te, expected Cs2GeTe14 to be Cs2GeTe4" +mp-1183976,CsTeO3,-5.202820362,-1.4270654822,0.3024103986,0.3024103986,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Te,5.0,AB3C_cP5_221_a_c_b:Cs-O-Te +mp-1200610,Cs4GeTe6,-3.3967241868,-0.9363175774,0.0,-0.003375818,GGA,P2_1/c,A4BC6_mP44_14_4e_e_6e:Cs-Ge-Te,44.0,A4BC6_mP44_14_4e_e_6e:Cs-Ge-Te +mp-504662,SbClO,-5.2477975517,-1.6063886812,0.0,-0.011424523,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:Cl-O-Sb,36.0,ABC_mP36_14_3e_3e_3e:Cl-O-Sb +mp-989196,SbClO,-5.202763015,-1.5613541446,0.0450345367,0.0336100137,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Sb,6.0,ABC_tP6_129_c_a_c:Cl-O-Sb +mp-727928,Sb8Cl2O21,-5.7026432015,-1.1668513893,0.4138111317,0.4138111317,GGA,C2/c,A2B21C8_mC124_15_f_e10f_4f:Cl-O-Sb,62.0,A2B21C8_mC124_15_f_e10f_4f:Cl-O-Sb +mp-1199855,ZnSb2Cl2O3,-5.1893881603,-1.6825274673,0.0,-0.0022122403,GGA,Pnma,A2B3C2D_oP32_62_2c_cd_2c_c:Cl-O-Sb-Zn,32.0,A2B3C2D_oP32_62_2c_cd_2c_c:Cl-O-Sb-Zn +mp-1209106,Sb4ClO6,-6.0050043191,-1.6373066930000002,0.1091106828,0.1091106828,GGA,C2/m,AB6C4_mC44_12_i_6i_4i:Cl-O-Sb,22.0,AB6C4_mC44_12_i_6i_4i:Cl-O-Sb +mp-23419,Sb4Cl2O5,-5.7776264864,-1.6915790467,0.0,-0.0098144677,GGA,P2_1/c,A2B5C4_mP22_14_e_a2e_2e:Cl-O-Sb,22.0,A2B5C4_mP22_14_e_a2e_2e:Cl-O-Sb +mp-1179604,Sb(Cl2O)3,-3.1895112223,-0.1834824889,0.6527025841,0.6527025841,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_e:Cl-O-Sb,40.0,A6B3C_mP40_14_6e_3e_e:Cl-O-Sb +mp-1219725,Sb8Cl2O15,-5.61059397,-1.1734174136,0.60379209,0.60379209,GGA,C2,A2B15C8_mC50_5_ab_2ab6c_4c:Cl-O-Sb,25.0,"Invalid WP multiplicities - A2B15C8_mC50_5_ab_2ab10c_8c:Cl-O-Sb, expected Sb16Cl2O23 to be Sb8Cl2O15" +mp-29591,Sb3ClO4,-5.9628174438,-1.7100305406,0.0019159641,0.0019159641,GGA,P2/c,AB4C3_mP16_13_e_2g_fg:Cl-O-Sb,16.0,"Invalid WP multiplicities - AB4C3_mP16_13_e_2g_f2g:Cl-O-Sb, expected Sb5ClO4 to be Sb3ClO4" +mp-859121,Sb16Cl4O21,-5.9602968359,-1.6349644111,0.058252965,0.058252965,GGA,P1,A4B21C16_aP41_1_4a_21a_16a:Cl-O-Sb,41.0,A4B21C16_aP41_1_4a_21a_16a:Cl-O-Sb +mp-557022,Sb8Cl2O11,-6.0627417952,-1.7226151732,0.0,-0.0020257305,GGA,P-1,A2B11C8_aP84_2_4i_22i_16i:Cl-O-Sb,84.0,"Invalid WP multiplicities - A2B11C8_aP84_2_7i_42i_31i:Cl-O-Sb, expected Sb31(ClO6)7 to be Sb8Cl2O11" +mp-1173569,Sb8Cl2O11,-5.8364255431,-1.496298921,0.2263162521,0.2242905217,GGA,P-1,A2B11C8_aP42_2_2i_bc10i_8i:Cl-O-Sb,42.0,"Invalid WP multiplicities - A2B11C8_aP42_2_3i_bc20i_15i:Cl-O-Sb, expected Sb5ClO7 to be Sb8Cl2O11" +mp-1219592,Sb8Cl2O11,-6.0008304095,-1.6607037874,0.0619113857,0.0598856552,GGA,P-1,A2B11C8_aP21_2_i_a5i_4i:Cl-O-Sb,21.0,A2B11C8_aP21_2_i_a5i_4i:Cl-O-Sb +mp-758203,Sb8Cl2O11,-5.9890283424,-1.6489017203,0.0737134529,0.0716877224,GGA,P2_1/c,A2B11C8_mP42_14_e_a5e_4e:Cl-O-Sb,42.0,"Invalid WP multiplicities - A2B11C8_mP42_14_e_2a20e_11e:Cl-O-Sb, expected Sb11ClO21 to be Sb8Cl2O11" +mp-1189553,Sb(Cl3O)2,-2.7791599694,0.0112398775,0.9017337665,0.9017337665,GGA,C2/c,A6B2C_mC36_15_3f_f_a:Cl-O-Sb,18.0,A6B2C_mC36_15_3f_f_a:Cl-O-Sb +mp-1080481,Sb(Cl3O)2,-3.1847943278,-0.3943944808,0.4960994082,0.4960994082,GGA,Immm,A6B2C_oI18_71_el_f_a:Cl-O-Sb,9.0,A6B2C_oI18_71_el_f_a:Cl-O-Sb +mp-1203379,Sb2Cl7O6,-4.0871156151,-0.6952561906,0.2975409321,0.2975409321,GGA,P2_1/c,A7B6C2_mP120_14_14e_12e_4e:Cl-O-Sb,120.0,A7B6C2_mP120_14_14e_12e_4e:Cl-O-Sb +mp-675895,La3Fe2S7,-6.8042690717,-1.7456680047000002,0.1088024033,0.1088024033,GGA,P6_3,A2B3C7_hP24_173_ab_c_b2c:Fe-La-S,24.0,"Invalid WP multiplicities - A2B3C7_hP24_173_ab_c_2b5c:Fe-La-S, expected La3Fe2S17 to be La3Fe2S7" +mp-1191191,La3Fe2S7,-6.7990306729,-1.7404296060000002,0.1140408021,0.1140408021,GGA,P6_3,A2B3C7_hP24_173_ab_c_b2c:Fe-La-S,24.0,A2B3C7_hP24_173_ab_c_b2c:Fe-La-S +mp-1227608,La12Fe11S30,-6.8160698491,-1.5991676872,0.1467487773,0.1467487773,GGA,Cm,A11B12C30_mC106_8_11a_12a_30a:Fe-La-S,53.0,A11B12C30_mC106_8_11a_12a_30a:Fe-La-S +mp-1191215,La3InFeS7,-6.3853282267,-1.8032552831,0.062881605,0.062881605,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Fe-In-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Fe-In-La-S +mp-2995,La2Fe2S5,-6.8677260322,-1.5905809251,0.1320284422,0.1320284422,GGA,Cmc2_1,A2B2C5_oC36_36_2a_2a_5a:Fe-La-S,18.0,A2B2C5_oC36_36_2a_2a_5a:Fe-La-S +mp-1192920,La4FeS7,-6.8051348092,-2.0410349177,0.1639216563,0.1639216563,GGA,P1,AB4C7_aP24_1_2a_8a_14a:Fe-La-S,24.0,AB4C7_aP24_1_2a_8a_14a:Fe-La-S +mp-21112,In2FeS4,-5.0897399357,-0.7298559161,0.082984852,0.082984852,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-In-S,14.0,AB2C4_cF56_227_a_d_e:Fe-In-S +mp-20793,Ga2FeS4,-5.2473211171,-0.8084621568,0.0968555586,0.0968555586,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Fe-Ga-S,7.0,AB2C4_hP7_164_a_d_2d:Fe-Ga-S +mp-1202536,Cs9Fe2S7,-3.9301460769,-0.9327120305,0.1653007223,0.1653007223,GGA,P2_13,A9B2C7_cP72_198_3a2b_2a_a2b:Cs-Fe-S,72.0,A9B2C7_cP72_198_3a2b_2a_a2b:Cs-Fe-S +mp-1226418,Cs4Ga3FeS8,-4.6069449912,-1.217725135,0.0175491316,0.0175491316,GGA,P1,A4BC3D8_aP16_1_4a_a_3a_8a:Cs-Fe-Ga-S,16.0,A4BC3D8_aP16_1_4a_a_3a_8a:Cs-Fe-Ga-S +mp-1079795,Ga2Fe2S5,-5.5459231933,-0.6927583267,0.1798032194,0.1798032194,GGA,P-3m1,A2B2C5_hP9_164_d_d_a2d:Fe-Ga-S,9.0,A2B2C5_hP9_164_d_d_a2d:Fe-Ga-S +mp-608823,Ga2Fe2S5,-5.5424084833,-0.6892436167,0.1833179294,0.1833179294,GGA,R-3m,A2B2C5_hR27_166_c_c_a2c:Fe-Ga-S,9.0,"Invalid WP multiplicities - A2B2C5_hR27_166_c_c_a4c:Fe-Ga-S, expected Ga2Fe2S9 to be Ga2Fe2S5" +mp-616672,Ga2Fe2S5,-5.5660905744,-0.7129257078,0.1596358383,0.1596358383,GGA,P6_3/mmc,A2B2C5_hP18_194_e_f_c2f:Fe-Ga-S,18.0,"Invalid WP multiplicities - A2B2C5_hP18_194_e_f_2c7f:Fe-Ga-S, expected GaFeS8 to be Ga2Fe2S5" +mp-505632,CsFeS2,-5.4374539425,-1.0278731135,0.0,-0.0170736063,GGA,Immm,ABC2_oI16_71_e_g_fi:Cs-Fe-S,8.0,ABC2_oI16_71_e_g_fi:Cs-Fe-S +mp-5038,CsGaS2,-4.3535075162,-1.3044079842,0.0,-0.1543605546,GGA,C2/c,ABC2_mC16_15_e_e_f:Cs-Ga-S,8.0,ABC2_mC16_15_e_e_f:Cs-Ga-S +mp-1195066,Cs7(FeS2)4,-4.9070258403,-1.052315294,0.0,-0.0121161603,GGA,C2/c,A7B4C8_mC76_15_e3f_2f_4f:Cs-Fe-S,38.0,A7B4C8_mC76_15_e3f_2f_4f:Cs-Fe-S +mp-1229172,Cs2GaFeS4,-4.8620906125,-1.132750432,0.0333901169,0.0333901169,GGA,C2,A2BCD4_mC16_5_ab_a_b_2c:Cs-Fe-Ga-S,8.0,A2BCD4_mC16_5_ab_a_b_2c:Cs-Fe-Ga-S +mp-1193282,Cs3FeS3,-4.4811401111,-1.1146289787,0.0,-0.0259923009,GGA,Cmce,A3BC3_oC56_64_fg_d_fg:Cs-Fe-S,28.0,A3BC3_oC56_64_fg_d_fg:Cs-Fe-S +mp-542475,CsFe2S3,-5.9936581867,-0.9528591212,0.0,-0.0149720608,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Cs-Fe-S,12.0,AB2C3_oC24_63_c_e_cg:Cs-Fe-S +mp-573145,CsGa3S5,-4.5647107256,-1.1578285285,0.0,-0.0423811911,GGA,P2_1/c,AB3C5_mP36_14_e_3e_5e:Cs-Ga-S,36.0,"Invalid WP multiplicities - AB3C5_mP36_14_e_8e_10e:Cs-Ga-S, expected Cs(Ga4S5)2 to be CsGa3S5" +mp-667308,Cs3(FeS2)2,-5.0589390475,-1.0398224915,0.0053576361,0.0053576361,GGA,Pnma,A3B2C4_oP36_62_cd_d_2cd:Cs-Fe-S,36.0,"Invalid WP multiplicities - A3B2C4_oP36_62_3c3d_d_8c6d:Cs-Fe-S, expected Cs9(FeS10)2 to be Cs3(FeS2)2" +mp-562726,CsGaS3,-4.401920697,-1.135351098,0.0,-0.0067843334,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Cs-Ga-S,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_7e:Cs-Ga-S, expected CsGaS7 to be CsGaS3" +mp-675021,Nd16Zr16O49,-9.2280273606,-3.6052950662,0.0711368429,0.0711368429,GGA,P1,A16B49C16_aP81_1_16a_49a_16a:Nd-O-Zr,81.0,A16B49C16_aP81_1_16a_49a_16a:Nd-O-Zr +mp-676311,Nd2Zr2O7,-9.1791353018,-3.6101792015,0.2329868805,0.1896707343,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Nd-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Nd-O-Zr, expected Nd2ZrO7 to be Nd2Zr2O7" +mp-5977,Nd2Zr2O7,-9.4121221823,-3.8431660819,0.0,-0.0433161461,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Zr,22.0,A2B7C2_cF88_227_c_af_d:Nd-O-Zr +mp-561167,Nd2Zr2O7,-9.0457092977,-3.4767531974,0.3664128845,0.3230967384,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nd-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Nd-O-Zr, expected NdZrO10 to be Nd2Zr2O7" +mp-704125,Nd2Zr3(MoO4)9,-8.7460375055,-2.5286166785,0.0,-0.0070037172,GGA+U,R-3c,A9B2C36D3_hR300_167_ef_c_6f_bc:Mo-Nd-O-Zr,100.0,"Invalid WP multiplicities - A9B2C36D3_hR300_167_3e4f_c_65f_b2c:Mo-Nd-O-Zr, expected Nd2Zr5(Mo11O130)3 to be Nd2Zr3(MoO4)9" +mp-674436,NdZr9O20,-9.7112425393,-3.6902016284,0.0659515806,0.0659515806,GGA,P1,AB20C9_aP30_1_a_20a_9a:Nd-O-Zr,30.0,AB20C9_aP30_1_a_20a_9a:Nd-O-Zr +mp-676106,NdZr9O20,-9.6916211727,-3.6705802618,0.0855729473,0.0855729473,GGA,P-1,AB20C9_aP30_2_a_10i_c4i:Nd-O-Zr,30.0,"Invalid WP multiplicities - AB20C9_aP30_2_a_18i_c8i:Nd-O-Zr, expected NdZr17O36 to be NdZr9O20" +mp-675068,Nd2Zr8O19,-9.609574469,-3.6818163511,0.1435358564,0.1435358564,GGA,Pmm2,A2B19C8_oP29_25_ad_10b9c_4a4d:Nd-O-Zr,29.0,A2B19C8_oP29_25_ad_10b9c_4a4d:Nd-O-Zr +mp-771131,NdZrO3,-9.081454101,-3.4502712618,0.199959563,0.199959563,GGA,C2/m,AB3C_mC20_12_i_ghi_e:Nd-O-Zr,10.0,AB3C_oI20_74_e_eg_a:Nd-O-Zr +mp-1101702,NdZrO3,-9.081503697,-3.4503208577,0.199909967,0.199909967,GGA,Pbam,AB3C_oP40_55_gh_efghi_i:Nd-O-Zr,40.0,"Invalid WP multiplicities - AB3C_oP40_55_3g4h_2e2f2g4h4i_i:Nd-O-Zr, expected Nd7Zr2O18 to be NdZrO3" +mp-756246,NdZrO3,-9.195393211,-3.5642103717,0.086020453,0.086020453,GGA,I-4m2,AB3C_tI40_119_i_acegh_i:Nd-O-Zr,20.0,"Invalid WP multiplicities - AB3C_tI40_119_i_ac2e4g4h_i:Nd-O-Zr, expected Nd2Zr2O19 to be NdZrO3" +mp-1210676,NdZrO14,-5.8237348341,-0.6631417078,0.6579466329,0.6579466329,GGA,Fd-3m,AB14C_cF128_227_a_cg_b:Nd-O-Zr,32.0,AB14C_cF128_227_a_cg_b:Nd-O-Zr +mp-531163,Nd12Zr12O37,-9.2312722357,-3.6113106117,0.0737118168,0.0737118168,GGA,P1,A12B37C12_aP61_1_12a_37a_12a:Nd-O-Zr,61.0,A12B37C12_aP61_1_12a_37a_12a:Nd-O-Zr +mp-1178613,Zr3(AsO5)4,-7.1069059178,-1.8027077794,0.2784301913,0.2784301913,GGA,P-1,A4B20C3_aP27_2_2i_10i_ai:As-O-Zr,27.0,A4B20C3_aP27_2_2i_10i_ai:As-O-Zr +mp-1178615,Zr(AsO5)2,-6.5218038281,-1.3423557856,0.3786952666,0.3786952666,GGA,P2_1,A2B10C_mP26_4_2a_10a_a:As-O-Zr,26.0,A2B10C_mP26_4_2a_10a_a:As-O-Zr +mp-1192893,Zr(AsO5)2,-6.5436246173,-1.3641765748,0.3568744774,0.3568744774,GGA,P2_1,A2B10C_mP26_4_2a_10a_a:As-O-Zr,26.0,A2B10C_mP26_4_2a_10a_a:As-O-Zr +mp-728442,ZrAs2O9,-6.6553910098,-1.4565463564,0.4079256169,0.4079256169,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:As-O-Zr,48.0,A2B9C_mP48_14_2e_9e_e:As-O-Zr +mp-1202083,SrZr4(AsO4)6,-7.793501536,-2.5776290939,0.0,-0.0707926797,GGA,R-3,A6B24CD4_hR105_148_f_4f_a_2c:As-O-Sr-Zr,35.0,A6B24CD4_hR105_148_f_4f_a_2c:As-O-Sr-Zr +mp-1224164,Ho6Mg(GeS7)2,-6.0451143113,-1.8602844367,0.0087809213,0.0087809213,GGA,P3,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-Ho-Mg-S,23.0,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-Ho-Mg-S +mp-1212419,Ho2Mg3Ge4,-4.1230451911,-0.5166263789000001,0.0184225687,0.0184225687,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Ho-Mg,36.0,A4B2C3_oP36_62_2cd_d_cd:Ge-Ho-Mg +mp-1212329,Ho4MgGe4,-5.07078074,-0.8016666344000001,0.0079558644,0.0079558644,GGA,Pnma,A4B4C_oP36_62_2cd_2d_c:Ge-Ho-Mg,36.0,A4B4C_oP36_62_2cd_2d_c:Ge-Ho-Mg +mp-863723,Ho2MgGe2,-4.7699449860000005,-0.767714286,0.0,-0.0443179839,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Ge-Ho-Mg,10.0,A2B2C_tP10_127_g_h_a:Ge-Ho-Mg +mp-1223962,Ho4MgS7,-6.3092267025,-2.2354713193,0.0205949486,0.0205949486,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Ho-Mg-S,12.0,A4BC7_mC24_8_4a_a_7a:Ho-Mg-S +mp-1232393,Ho2MgS4,-5.8815841064,-1.9800273554,0.1944096614,0.192378739,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Ho-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:Ho-Mg-S +mp-1232252,Ho2MgS4,-6.0593683366,-2.1578115855,0.0166254312,0.0145945089,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Ho-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Ho-Mg-S +mp-1232249,Ho2MgS4,-6.0571630882,-2.1556063371,0.0188306796,0.0167997573,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ho-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Ho-Mg-S +mp-1232250,Ho2MgS4,-6.0089192189,-2.1073624679,0.0670745489,0.0650436265,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ho-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Ho-Mg-S +mp-1232304,Ho2MgS4,-5.8369533754,-1.9353966243,0.2390403925,0.2370094701,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Ho-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:Ho-Mg-S +mp-1232248,Ho2MgS4,-5.9951308829,-2.0935741318,0.080862885,0.0788319626,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ho-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Ho-Mg-S +mp-1232270,Ho2MgS4,-6.0759937679,-2.1744370168,0.0,-0.0020309224,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ho-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Ho-Mg-S +mp-1224610,Ho12Ge5S28,-6.0829351702,-1.7734986816,0.0280642409,0.0280642409,GGA,P1,A5B12C28_aP45_1_5a_12a_28a:Ge-Ho-S,45.0,A5B12C28_aP45_1_5a_12a_28a:Ge-Ho-S +mp-1232139,HoMgS3,-5.23454461,-1.5161369059,0.3555101385,0.3555101385,GGA,C2/m,ABC3_mC20_12_i_g_ij:Ho-Mg-S,10.0,ABC3_mC20_12_i_g_ij:Ho-Mg-S +mp-1232153,HoMgS3,-5.3574137023,-1.6390059982,0.2326410462,0.2326410462,GGA,R-3,ABC3_hR30_148_c_c_f:Ho-Mg-S,30.0,ABC3_hR30_148_c_c_f:Ho-Mg-S +mp-1046092,Mg2Ta2CoO8,-8.6289098925,-2.9675296737,0.0181591578,0.0181591578,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Co-Mg-O-Ta,52.0,AB2C8D2_mC52_15_e_f_4f_f:Co-Mg-O-Ta +mp-773173,Ta2Co4O9,-8.6842897318,-2.2396880758,0.023068768,0.023068768,GGA+U,Pnc2,A4B9C2_oP60_30_4c_ab8c_2c:Co-O-Ta,60.0,"Invalid WP multiplicities - A4B9C2_oP60_60_5d_2c15d_d:Co-O-Ta, expected TaCo5O16 to be Ta2Co4O9" +mp-885579,Ta2Co4O9,-8.688236545,-2.2436348889,0.0191219548,0.0191219548,GGA+U,Pbcn,A4B9C2_oP60_60_2d_c4d_d:Co-O-Ta,60.0,"Invalid WP multiplicities - A4B9C2_oP60_60_5d_2c15d_d:Co-O-Ta, expected TaCo5O16 to be Ta2Co4O9" +mp-863438,Ta2Co4O9,-8.6896240607,-2.2450224046,0.0177344392,0.0177344392,GGA+U,P-3c1,A4B9C2_hP30_165_2d_fg_c:Co-O-Ta,30.0,"Invalid WP multiplicities - A4B9C2_hP30_165_5d_6f6g_c:Co-O-Ta, expected TaCo5O27 to be Ta2Co4O9" +mp-1048795,MgTa2O6,-9.3814778061,-3.2708147419,0.0612247639,0.0297727132,GGA,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Mg-O-Ta,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_2a3b_b:Mg-O-Ta, expected MgTa2O8 to be MgTa2O6" +mp-9650,MgTa2O6,-9.44270257,-3.3320395058,0.0,-0.0314520507,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Mg-O-Ta,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_f2j_e:Mg-O-Ta, expected MgTa2O10 to be MgTa2O6" +mp-1042599,MgTa2CoO7,-8.923324712,-2.8277816135,0.1320719377,0.1320719377,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Co-Mg-O-Ta,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_2e_3e_17e_7e:Co-Mg-O-Ta, expected Mg3Ta7Co2O17 to be MgTa2CoO7" +mp-1234639,MgTa4O12,-9.33582813,-2.9598484179,0.1780175086,0.1780175086,GGA,Im-3,AB12C4_cI34_204_a_g_c:Mg-O-Ta,17.0,AB12C4_cI34_204_a_g_c:Mg-O-Ta +mp-1366075,Ta2CoO7,-8.8779456985,-2.3328762951,0.327154374,0.327154374,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-Ta,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_2e_17e_7e:Co-O-Ta, expected Ta7Co2O17 to be Ta2CoO7" +mp-1210704,Mg2Ta4O9,-9.144459502,-2.8010015672,0.2481342475,0.2481342475,GGA,P-3c1,A2B9C4_hP30_165_c_fg_2d:Mg-O-Ta,30.0,A2B9C4_hP30_165_c_fg_2d:Mg-O-Ta +mp-17481,Mg4Ta2O9,-8.2261284433,-3.2503368526,0.0,-0.0294970293,GGA,P-3c1,A4B9C2_hP30_165_2d_fg_c:Mg-O-Ta,30.0,A4B9C2_hP30_165_2d_fg_c:Mg-O-Ta +mp-31517,Ta2CoO6,-9.6372508272,-2.9145835692,0.0,-0.032877134,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Co-O-Ta,36.0,AB6C2_tP18_136_a_fj_e:Co-O-Ta +mp-1206278,NdInCu4,-4.2099259317,-0.2238162913,0.0,-0.015389467,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Nd,6.0,A4BC_cF24_216_e_a_c:Cu-In-Nd +mp-1221949,Nd2(InCu3)3,-4.0927924221,-0.1867777018,0.0232308339,0.0232308339,GGA,Pnnm,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-Nd,56.0,A9B3C2_oP56_58_5g2h_3g_acg:Cu-In-Nd +mp-1221044,Nd2InCuS5,-5.7493766181,-1.6305505515,0.0056754394,0.0056754394,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Nd-S,36.0,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Nd-S +mp-21582,Nd4In5S13,-5.4429365118,-1.5063521187,0.0201483612,0.0201483612,GGA,Pbam,A5B4C13_oP44_55_a2h_2g_c2g4h:In-Nd-S,44.0,A5B4C13_oP44_55_a2h_2g_c2g4h:In-Nd-S +mp-1198756,Nd3InS6,-6.1773684568,-1.9898859339,0.0,-0.0103393014,GGA,P2_12_12,AB3C6_oP40_18_ab_3c_6c:In-Nd-S,40.0,AB3C6_oP40_18_ab_3c_6c:In-Nd-S +mp-1220552,Nd(InCu)6,-3.6654596715,-0.1367296844,0.0100041712,0.0100041712,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Nd,13.0,A6B6C_oI26_71_fk_egh_a:Cu-In-Nd +mp-1220617,Nd2In3Cu,-4.0556574183,-0.4072319642,0.0346832399,0.0346832399,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-In-Nd,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-In-Nd +mp-1220595,Nd2In3Cu,-4.0661879017,-0.4177624475,0.0241527565,0.0241527565,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-In-Nd,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-In-Nd +mp-1210539,NdIn2Cu9,-4.0608799104,-0.1305153335,0.0025864792,0.0025864792,GGA,P4/mbm,A9B2C_tP24_127_cjk_g_a:Cu-In-Nd,24.0,A9B2C_tP24_127_cjk_g_a:Cu-In-Nd +mp-1220199,NdIn7Cu5,-3.5219064054,-0.096832029,0.0491839501,0.0491839501,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Nd,13.0,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Nd +mp-22696,NdInCu,-4.25818595,-0.3851733392,0.0,-0.0228267755,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-In-Nd,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Cu-In-Nd, expected Nd3In3Cu5 to be NdInCu" +mp-21360,NdInCu2,-4.21840345,-0.2888423244,0.0156524908,0.0156524908,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Nd,4.0,A2BC_cF16_225_c_a_b:Cu-In-Nd +mp-554839,MnBiAsO5,-7.1796273509,-1.880244053,0.0,-0.0475867537,GGA+U,P-1,ABCD5_aP16_2_i_i_i_5i:As-Bi-Mn-O,32.0,ABCD5_aP16_2_i_i_i_5i:As-Bi-Mn-O +mp-1069357,Eu(CuSn)2,-5.66253478,-0.36762301,0.0,-0.016676096,GGA,C2/m,A2BC2_mC10_12_i_a_i:Cu-Eu-Sn,5.0,A2BC2_mC10_12_i_a_i:Cu-Eu-Sn +mp-13045,EuCuSn2,-6.0325216875,-0.4386836425,0.0076208631,0.0076208631,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Cu-Eu-Sn,8.0,ABC2_oC16_63_c_c_2c:Cu-Eu-Sn +mp-555984,EuCu2SnS4,-5.8883349744,-1.0119866666,0.0332143459,0.0332143459,GGA,Ama2,A2BC4D_oC32_40_c_a_2bc_b:Cu-Eu-S-Sn,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_c_a_4b3c_b:Cu-Eu-S-Sn, expected EuCu2SnS10 to be EuCu2SnS4" +mp-568497,EuCu9Sn4,-4.6558568504,-0.1424176182,0.0039086432,0.0039086432,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Cu-Eu-Sn,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_2d6k7l_a_l:Cu-Eu-Sn, expected Eu(Cu27Sn2)2 to be EuCu9Sn4" +mp-1192020,Eu2CuS3,-7.9750805112,-1.8046538661,0.0,-0.0512705724,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Cu-Eu-S,24.0,AB2C3_oP24_62_c_2c_3c:Cu-Eu-S +mp-1225252,EuCuSn,-6.5306147817,-0.4086880067,0.0616413683,0.0616413683,GGA,C2/m,ABC_mC12_12_i_i_i:Cu-Eu-Sn,6.0,ABC_mC12_12_i_i_i:Cu-Eu-Sn +mp-11638,Eu3(Cu2Sn)4,-5.6152967453,-0.3084336667,0.0022390867,0.0022390867,GGA,P6_3mc,A8B3C4_hP30_186_ab2c_c_bc:Cu-Eu-Sn,30.0,"Invalid WP multiplicities - A8B3C4_hP30_186_ab5c_c_2b2c:Cu-Eu-Sn, expected Eu3Cu17Sn8 to be Eu3(Cu2Sn)4" +mp-504621,Eu3Sn2S7,-7.1992115954,-1.5537700806,0.0049985563,0.0049985563,GGA,Pbam,A3B7C2_oP24_55_ag_dg2h_h:Eu-S-Sn,24.0,A3B7C2_oP24_55_ag_dg2h_h:Eu-S-Sn +mp-574507,Eu(Cu2Sn)2,-4.5100966543,0.4431850871,0.7057729514000001,0.7057729514000001,GGA,I4/mcm,A4BC2_tI28_140_l_a_h:Cu-Eu-Sn,14.0,A4BC2_tI28_140_l_a_h:Cu-Eu-Sn +mp-1038036,RbMg30MnO32,-6.2826665777,-2.9007136148,0.0828488358,0.0828488358,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Rb,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Rb, expected RbMg110MnO72 to be RbMg30MnO32" +mp-1038023,RbMg30MnO32,-6.2931514925,-2.9111985296,0.072363921,0.072363921,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Rb,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Rb, expected RbMg90MnO80 to be RbMg30MnO32" +mp-553971,Rb3MnO3,-5.5048099079,-1.6557122445,0.0,-0.0690899176,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Mn-O-Rb,28.0,AB3C3_mP28_14_e_3e_3e:Mn-O-Rb +mp-1036182,RbMg14MnO16,-6.229712435,-2.7392908899,0.1737937119,0.1737937119,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Rb,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Rb, expected RbMg18MnO20 to be RbMg14MnO16" +mp-1036172,RbMg14MnO16,-6.2160820856,-2.7256605405,0.1874240613,0.1874240613,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Rb,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Rb, expected RbMg30MnO32 to be RbMg14MnO16" +mp-1028117,RbMg14Mn,-1.8298282613,0.2043261178,0.2150352566,0.2150352566,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Rb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Rb, expected RbMg18Mn to be RbMg14Mn" +mp-1028136,RbMg14Mn,-1.7440606612,0.2900937178,0.3008028566,0.3008028566,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Rb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Rb, expected RbMg26Mn to be RbMg14Mn" +mp-758431,Rb3Mn16O32,-7.9588827557,-1.9230418606,0.0,-0.0044999937,GGA+U,P-1,A16B32C3_aP51_2_8i_16i_ai:Mn-O-Rb,51.0,"Invalid WP multiplicities - A16B32C3_aP51_2_14i_31i_ai:Mn-O-Rb, expected Rb3Mn28O62 to be Rb3Mn16O32" +mp-1349136,Rb3Mn16O32,-5.9637287629,0.0721121322,1.9951539927,1.990653999,GGA+U,P-1,A16B32C3_aP51_2_8i_16i_ai:Mn-O-Rb,51.0,"Invalid WP multiplicities - A16B32C3_aP51_2_14i_31i_ai:Mn-O-Rb, expected Rb3Mn28O62 to be Rb3Mn16O32" +mp-1173584,RbMn6O12,-7.9851827705,-1.9160832779,0.0,-0.0052902304,GGA+U,P-1,A6B12C_aP38_2_6i_12i_i:Mn-O-Rb,38.0,"Invalid WP multiplicities - A6B12C_aP38_2_11i_23i_i:Mn-O-Rb, expected RbMn11O23 to be RbMn6O12" +mp-1201493,Rb11Mn8O16,-6.4297283466,-1.7660421605,0.0081490804,0.0081490804,GGA+U,F222,A8B16C11_oF560_22_cd8g7h_ef15k_ej10k:Mn-O-Rb,140.0,A8B16C11_oF560_22_cd8g7h_ef15k_ej10k:Mn-O-Rb +mp-752932,RbMn4O8,-7.8643519677,-1.9257285115,0.0,-0.0023692206,GGA+U,C2/m,A4B8C_mC26_12_2i_4i_a:Mn-O-Rb,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_3i_7i_a:Mn-O-Rb, expected RbMn6O14 to be RbMn4O8" +mp-18301,RbMnO4,-6.4589059908,-1.4706886226,0.0,-0.0057623397,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Mn-O-Rb,24.0,AB4C_oP24_62_c_2cd_c:Mn-O-Rb +mp-1023013,RbMg6Mn,-2.0762654575,0.3917632506,0.4009425124,0.4009425124,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Rb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Rb, expected RbMg12Mn to be RbMg6Mn" +mp-1023076,RbMg6Mn,-2.0696885988,0.3983401093,0.4075193712,0.4075193712,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Rb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Rb, expected RbMg12Mn to be RbMg6Mn" +mp-1188117,Rb2Mn3O4,-7.2259838056,-1.7555539315000002,0.0,-0.0115458922,GGA+U,C2/c,A3B4C2_mC36_15_ef_2f_f:Mn-O-Rb,18.0,A3B4C2_mC36_15_ef_2f_f:Mn-O-Rb +mp-975346,RbMnO3,-6.375374634,-1.3788515343,0.3796362391,0.3796362391,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Rb,5.0,AB3C_cP5_221_b_c_a:Mn-O-Rb +mp-2227282,RbMgMn4O8,-7.5749944243,-1.9462526399,0.1877586039,0.1877586039,GGA+U,P1,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Rb,14.0,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Rb +mp-2226447,RbMgMn4O8,-7.6152300029,-1.9864882185,0.1475230253,0.1475230253,GGA+U,P1,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Rb,14.0,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Rb +mp-2227091,RbMgMn4O8,-7.6005950871,-1.9718533028,0.162157941,0.162157941,GGA+U,Cm,AB4C8D_mC28_8_a_4a_8a_a:Mg-Mn-O-Rb,14.0,AB4C8D_mC28_8_a_4a_8a_a:Mg-Mn-O-Rb +mp-2227254,RbMgMn4O8,-7.6451858386,-2.0164440542,0.1175671896,0.1175671896,GGA+U,C2/m,AB4C8D_mC28_12_a_2i_4i_c:Mg-Mn-O-Rb,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_a_3i_7i_c:Mg-Mn-O-Rb, expected RbMgMn6O14 to be RbMgMn4O8" +mp-1032468,RbMg6MnO8,-6.0939235169,-2.3865648072,0.385564097,0.385564097,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Rb,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Rb, expected RbMg6MnO12 to be RbMg6MnO8" +mp-1032501,RbMg6MnO8,-6.0948177331,-2.3874590235,0.3846698807,0.3846698807,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Rb,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Rb, expected RbMg6MnO12 to be RbMg6MnO8" +mp-559700,RbMnO2,-6.9353764154,-1.9263947186,0.0,-0.1140783811,GGA+U,P-1,AB2C_aP24_2_3i_6i_3i:Mn-O-Rb,24.0,AB2C_aP24_2_3i_6i_3i:Mn-O-Rb +mp-1196651,Rb8Mn5O10,-6.1741084807,-1.690576474,0.0042042567,0.0042042567,GGA+U,P2_1/c,A5B10C8_mP184_14_10e_20e_16e:Mn-O-Rb,184.0,A5B10C8_mP184_14_10e_20e_16e:Mn-O-Rb +mp-505209,Rb2MnO4,-6.1379641086,-1.7222729254,0.0,-0.1891136795,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_2c:Mn-O-Rb,28.0,AB4C2_oP28_62_c_2cd_2c:Mn-O-Rb +mp-1188392,LiInS2,-4.4182949206,-1.184918338,0.0,-0.0992479408,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:In-Li-S,16.0,ABC2_oP16_33_a_a_2a:In-Li-S +mp-1191903,Li2In2SiS6,-4.7302641832,-1.1334250537,0.0041443186,0.0041443186,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:In-Li-S-Si,22.0,A2B2C6D_mC44_9_2a_2a_6a_a:In-Li-S-Si +mp-1210789,Li2SiS3,-4.9158676133,-1.307115386,0.0,-0.0495780358,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Li-S-Si,12.0,A2B3C_oC24_36_b_ab_a:Li-S-Si +mp-9751,Al2Ge2O7,-7.3726340914,-2.7031769687,0.0,-0.0118953052,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:Al-Ge-O,22.0,A2B2C7_mC44_15_f_f_e3f:Al-Ge-O +mp-1190248,Sm2Al3Ge4,-4.8181020344,-0.4663230144,0.0076985488,0.0076985488,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Sm,18.0,A3B4C2_oC36_64_ae_ef_f:Al-Ge-Sm +mp-1208925,SmAlGe2O7,-7.62586719,-2.8679545851,0.0,-0.0102247588,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Sm,44.0,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Sm +mp-1005753,Sm2AlGe6,-4.9852317083,-0.4384633494,0.0132838581,0.0132838581,GGA,C2/m,AB6C2_mC36_12_i_4ij_j:Al-Ge-Sm,18.0,AB6C2_mC36_12_i_4ij_j:Al-Ge-Sm +mp-1197018,Al2GeO6,-7.10181426,-2.4580018397,0.1990793027,0.1990793027,GGA,Pnma,A2BC6_oP36_62_d_c_2c2d:Al-Ge-O,36.0,A2BC6_oP36_62_d_c_2c2d:Al-Ge-O +mp-1206599,Sm(AlGe)2,-4.727801568,-0.436642867,0.0,-0.016952154,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Sm,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Sm +mp-3077,SmAlGe,-5.02701388,-0.6646172733,0.0,-0.0413423103,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ge-Sm,6.0,ABC_tI12_109_a_a_a:Al-Ge-Sm +mp-568449,Sm2AlGe3,-5.1698061104,-0.6611674996,0.0075405203,0.0075405203,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Sm,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_10c_7c:Al-Ge-Sm, expected Sm7AlGe10 to be Sm2AlGe3" +mp-28499,Al10Ge2O19,-7.6775042597,-3.1391526621,0.031209736,0.031209736,GGA,Cmc2_1,A10B2C19_oC124_36_6a2b_2a_11a4b:Al-Ge-O,62.0,A10B2C19_oC124_36_6a2b_2a_11a4b:Al-Ge-O +mp-696871,LaAlO3,-8.199224974,-3.4948951603,0.228061582,0.2057842132,GGA,P1,ABC3_aP10_1_2a_2a_6a:Al-La-O,10.0,ABC3_aP10_1_2a_2a_6a:Al-La-O +mp-780421,LaAlO3,-8.34491938,-3.6405895663,0.082367176,0.0600898072,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Al-La-O,30.0,"Invalid WP multiplicities - ABC3_aP30_2_5i_5i_18i:Al-La-O, expected La5Al5O18 to be LaAlO3" +mp-771703,LaAlO3,-8.3847995953,-3.6804697816,0.0424869607,0.0202095919,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Al-La-O,30.0,"Invalid WP multiplicities - ABC3_aP30_2_5i_5i_17i:Al-La-O, expected La5Al5O17 to be LaAlO3" +mp-768417,LaAlO3,-8.3963951417,-3.6920653279,0.0308914143,0.0086140456,GGA,P-1,ABC3_aP30_2_3i_3i_9i:Al-La-O,30.0,"Invalid WP multiplicities - ABC3_aP30_2_5i_4i_17i:Al-La-O, expected La4Al5O17 to be LaAlO3" +mp-2920,LaAlO3,-8.427286556,-3.7229567422,0.0,-0.0222773688,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-La-O,10.0,ABC3_hR30_167_b_a_e:Al-La-O +mp-771698,LaAlO3,-8.3704409262,-3.6661111125,0.0568456298,0.034568261,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:Al-La-O,40.0,"Invalid WP multiplicities - ABC3_mP40_14_7e_7e_23e:Al-La-O, expected La7Al7O23 to be LaAlO3" +mp-780411,LaAlO3,-8.3343911903,-3.6300613766,0.0928953657,0.0706179969,GGA,P2_1/c,ABC3_mP60_14_3e_3e_9e:Al-La-O,60.0,"Invalid WP multiplicities - ABC3_mP60_14_11e_5e_35e:Al-La-O, expected La5Al11O35 to be LaAlO3" +mp-780422,LaAlO3,-8.3917494967,-3.6874196829,0.0355370593,0.0132596906,GGA,P2_1/c,ABC3_mP60_14_3e_3e_9e:Al-La-O,60.0,"Invalid WP multiplicities - ABC3_mP60_14_9e_9e_33e:Al-La-O, expected La3Al3O11 to be LaAlO3" +mp-768518,LaAlO3,-8.4271263253,-3.7227965116,0.0001602307,-0.0221171381,GGA,Cmcm,ABC3_oC60_63_cg_ae_cfgh:Al-La-O,30.0,"Invalid WP multiplicities - ABC3_oC60_63_cg_ae_2cf2gh:Al-La-O, expected LaAlO4 to be LaAlO3" +mp-1080060,LaAlO3,-8.426660814,-3.7223310003,0.000625742,-0.0216516268,GGA,Imma,ABC3_oI20_74_a_e_eg:Al-La-O,10.0,ABC3_oI20_74_a_e_eg:Al-La-O +mp-1080080,LaAlO3,-8.426382429,-3.7220526152,0.000904127,-0.0213732418,GGA,I4/mcm,ABC3_tI20_140_c_b_ah:Al-La-O,10.0,ABC3_tI20_140_c_b_ah:Al-La-O +mp-1182592,LaAlO3,-5.52231379,-0.8179839762000001,2.904972766,2.8826953972,GGA,P6/mmm,ABC3_hP5_191_b_a_f:Al-La-O,5.0,ABC3_mC10_12_c_b_af:Al-La-O +mp-5304,LaAlO3,-8.420498052,-3.7161682383,0.006788504,-0.0154888648,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-La-O,5.0,ABC3_cP5_221_b_a_c:Al-La-O +mp-1178155,La3AlO6,-8.6163235135,-3.7929505722,0.0196268233,0.0196268233,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Al-La-O,20.0,"Invalid WP multiplicities - AB3C6_oC40_36_a_a2b_3a4b:Al-La-O, expected La5AlO11 to be La3AlO6" +mp-1206996,La3AlO,-6.174222742,-1.4741655708,0.0,-0.0179273034,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-La-O,5.0,AB3C_cP5_221_a_c_b:Al-La-O +mp-768382,La2Al4O9,-8.1711416907,-3.5461739619,0.0782353277,0.0782353277,GGA,Pbam,A4B2C9_oP30_55_fg_h_aghi:Al-La-O,30.0,"Invalid WP multiplicities - A4B2C9_oP30_55_2f2g_h_2a4g2h4i:Al-La-O, expected LaAl4O15 to be La2Al4O9" +mp-16934,BaLaAlO4,-7.8587699146,-3.5177252404,0.0102408906,0.0102408906,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:Al-Ba-La-O,28.0,ABCD4_oP28_19_a_a_a_4a:Al-Ba-La-O +mp-532198,LaAl22O34,-7.8806931304,-3.3977792436,0.0359122253,0.0359122253,GGA,P-1,A22BC34_aP114_2_ac21i_bh_34i:Al-La-O,114.0,"Invalid WP multiplicities - A22BC34_aP114_2_ac42i_bh_68i:Al-La-O, expected LaAl43O68 to be LaAl22O34" +mp-1178196,LaAl33O51,-7.9009302074,-3.4206815748,0.0240235364,0.0240235364,GGA,C2/m,A33BC51_mC170_12_ch3i6j_a_bg4i10j:Al-La-O,85.0,"Invalid WP multiplicities - A33BC51_mC170_12_c2h4i19j_b_a2g8i39j:Al-La-O, expected LaAl89O177 to be LaAl33O51" +mp-1238781,La4Al2O9,-8.4004471707,-3.6167552719,0.1750457647,0.1568513804,GGA,P1,A2B4C9_aP15_1_2a_4a_9a:Al-La-O,15.0,A2B4C9_aP15_1_2a_4a_9a:Al-La-O +mp-780409,La4Al2O9,-8.575464926,-3.7917730273,2.80093e-05,-0.0181663749,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-La-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_7e_11e_33e:Al-La-O, expected La11Al7O33 to be La4Al2O9" +mp-781707,La4Al2O9,-8.5754929353,-3.7918010366,0.0,-0.0181943843,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-La-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_3e_13e_35e:Al-La-O, expected La13Al3O35 to be La4Al2O9" +mp-780432,La3Al5O12,-8.2604225961,-3.6156143461,0.0334318066,0.0334318066,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-La-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_4a5d_c_h:Al-La-O, expected La3Al23O12 to be La3Al5O12" +mp-1178115,LaAl3O6,-8.100186619,-3.5148999328,0.0602356305,0.0602356305,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:Al-La-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_2ef_e_11f:Al-La-O, expected LaAl4O22 to be LaAl3O6" +mp-765688,LaAl12O19,-7.9046900281,-3.4087524475,0.0299211188,0.0299211188,GGA,Cc,A12BC19_mC128_9_12a_a_19a:Al-La-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_186_4a8b8c_b_4a4b29c:Al-La-O, expected LaAl36O95 to be LaAl12O19" +mp-883306,LaAl12O19,-7.8939876755,-3.3980500949,0.0406234715,0.0406234715,GGA,P6_3mc,A12BC19_hP64_186_2a4b2c_b_2a2b5c:Al-La-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_186_4a8b8c_b_4a4b29c:Al-La-O, expected LaAl36O95 to be LaAl12O19" +mp-772798,BaLa2O4,-8.0405219455,-3.5294156605,0.0536703931,0.0453114926,GGA,C2/c,AB2C4_mC84_15_ef_3f_ae5f:Ba-La-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_15_e2f_5f_c2e10f:Ba-La-O, expected Ba5La10O23 to be BaLa2O4" +mp-752656,BaLa2O4,-8.0861889461,-3.5750826611,0.0080033925,-0.000355508,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-La-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Ba-La-O, expected BaLa5O13 to be BaLa2O4" +mp-752726,BaLa2O4,-8.0527640086,-3.5416577236,0.04142833,0.0330694295,GGA,Cmcm,AB2C4_oC28_63_c_f_acf:Ba-La-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_63_c_f_a2c2f:Ba-La-O, expected BaLa2O7 to be BaLa2O4" +mp-755558,BaLa2O4,-8.0941923386,-3.5830860536,0.0,-0.0083589005,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ba-La-O,14.0,AB2C4_cF56_227_a_d_e:Ba-La-O +mp-768263,Ba2La2O5,-7.6344980828,-3.3630083443,0.0514538872,0.0514538872,GGA,Pnma,A2B2C5_oP36_62_d_ac_c2d:Ba-La-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_d_2a2c_4c5d:Ba-La-O, expected BaLa2O7 to be Ba2La2O5" +mp-771838,La4Al6O15,-8.2465350352,-3.5898224725,0.0740057982,0.0740057982,GGA,P1,A6B4C15_aP50_1_12a_8a_30a:Al-La-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:Al-La-O, expected La7Al11O26 to be La4Al6O15" +mp-853024,La4Al6O15,-8.2469224174,-3.5902098546,0.073618416,0.073618416,GGA,C2,A6B4C15_mC100_5_6c_4c_ab14c:Al-La-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:Al-La-O, expected La7Al11O26 to be La4Al6O15" +mp-1024042,La4Al6O15,-8.2493518968,-3.592639334,0.0711889366,0.0711889366,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:Al-La-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:Al-La-O, expected La7Al11O26 to be La4Al6O15" +mp-1180012,OsN5Cl3,-5.4090280192,1.0860222069,1.4507614678,1.4507614678,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Cl-N-Os,36.0,A3B5C_oP36_62_cd_3cd_c:Cl-N-Os +mp-1207216,Os(NCl3)2,-3.8383197811,0.49407769,0.9803967044,0.9803967044,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Os,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Os +mp-1192245,OsRh2(NCl)10,-4.7821389539,0.7746566557,1.3408361609,1.3408361609,GGA,C2/m,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Os-Rh,23.0,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Os-Rh +mp-1179758,RhN5Cl3,-4.9346409717,1.1311804144,1.6114724972,1.6114724972,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Cl-N-Rh,36.0,A3B5C_oP36_62_cd_3cd_c:Cl-N-Rh +mp-1199514,RhN5Cl3,-4.8561204033,1.2097009828,1.6899930656,1.6899930656,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Cl-N-Rh,36.0,A3B5C_oP36_62_cd_3cd_c:Cl-N-Rh +mp-541629,BaGaF5,-5.5945619625,-3.5224954196,0.0,-0.0639624682,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Ba-F-Ga,28.0,AB5C_oP28_19_a_5a_a:Ba-F-Ga +mp-1096555,Ba2CdGa,-0.83688909,1.1103448256,1.4677295045,1.4677295045,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Ga,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Ga +mp-1227962,BaCd3Ga,-1.839842728,-0.2966946795,0.001069449,0.001069449,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Cd-Ga,5.0,AB3C_tI10_107_a_ab_a:Ba-Cd-Ga +mp-621924,BaCdGaF7,-5.137240577,-3.2122092275,0.0,-0.0022480523,GGA,C2/c,ABC7D_mC80_15_f_ae_7f_f:Ba-Cd-F-Ga,40.0,"Invalid WP multiplicities - ABC7D_mC80_15_f_ce_25f_f:Ba-Cd-F-Ga, expected BaCdGaF25 to be BaCdGaF7" +mp-637062,AsXe2F9,-3.4483235576,-1.6204254366000002,0.0003190499,-0.0012668576,GGA,P1,AB9C2_aP72_1_6a_54a_12a:As-F-Xe,72.0,AB9C2_aP72_1_6a_54a_12a:As-F-Xe +mp-1182721,AsXe2F9,-3.4486426075,-1.6207444865,0.0,-0.0015859075,GGA,C2/c,AB9C2_mC144_15_cf_e13f_3f:As-F-Xe,72.0,"Invalid WP multiplicities - AB9C2_mC144_15_cf_2e51f_6f:As-F-Xe, expected As3(Xe3F26)4 to be AsXe2F9" +mp-27750,AsXeF7,-3.9061521344,-1.8977470958,0.0,-0.0202418653,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:As-F-Xe,36.0,AB7C_mP36_14_e_7e_e:As-F-Xe +mp-1208723,SrAs2(XeF6)3,-3.9892402244,-2.0924537999,0.0,-0.0413565894,GGA,C2/m,A2B18CD3_mC96_12_ei_6i6j_i_abj:As-F-Sr-Xe,48.0,A2B18CD3_mC96_12_fi_6i6j_i_abj:As-F-Sr-Xe +mp-554379,AsXeF11,-3.525059685,-1.5464780529,0.0,-0.0145235,GGA,P2_1/c,AB11C_mP52_14_e_11e_e:As-F-Xe,52.0,"Invalid WP multiplicities - AB11C_mP52_14_e_40e_e:As-F-Xe, expected AsXeF40 to be AsXeF11" +mp-1208728,SrAs2F12,-5.0103361238,-2.7473042656,0.0120287995,0.0120287995,GGA,Pm-3m,A2B12C_cP60_221_g_2m_ad:As-F-Sr,60.0,"Invalid WP multiplicities - A2B12C_cP60_221_g_4m_ad:As-F-Sr, expected SrAs2F24 to be SrAs2F12" +mp-14037,NaTl2RhF6,-4.704350332,-2.2162510058,0.0,-0.0793123907,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Rh-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Rh-Tl +mp-1114259,Na3RhF6,-4.771215707,-2.4911399515,0.0068950545,0.0068950545,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Rh,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Rh +mp-1113076,Cs3ScI6,-3.444914011,-1.6590265789,0.0019997135,0.0019997135,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-I-Sc,10.0,A3B6C_cF40_225_ac_e_b:Cs-I-Sc +mp-1206489,CsScI3,-3.907052393,-1.5774582876,0.0,-0.0263682157,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-I-Sc,10.0,AB3C_hP10_194_c_h_a:Cs-I-Sc +mp-1112938,Cs2ScAgI6,-3.40053075,-1.4209279548,0.0,-0.0050621253,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Sc,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Sc +mp-24338,Sr5As3H,-3.9370893061,-1.0684728031,0.0,-0.0507675942,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:As-H-Sr,18.0,A3BC5_hP18_193_g_b_dg:As-H-Sr +mp-27721,AsH3,-2.9824023112,0.7269218238,0.7269218238,0.7269218238,GGA,P4_232,AB3_cP16_208_b_i:As-H,16.0,AB3_cP16_208_b_i:As-H +mp-1101989,SrLiAs,-3.77768795,-1.025176375,0.0,-0.1028302577,GGA,Pnma,ABC_oP12_62_c_c_c:As-Li-Sr,12.0,ABC_oP12_62_c_c_c:As-Li-Sr +mp-1192357,Sr3LiAs2H,-3.831359145,-1.018735419,0.0,-0.0282242873,GGA,Pnma,A2BCD3_oP28_62_2c_c_c_3c:As-H-Li-Sr,28.0,A2BCD3_oP28_62_2c_c_c_3c:As-H-Li-Sr +mp-24419,SrLiH3,-2.88732634,-0.132007449,0.4577828575,0.4577828575,GGA,Pm-3m,A3BC_cP5_221_c_a_b:H-Li-Sr,5.0,A3BC_cP5_221_c_a_b:H-Li-Sr +mp-570268,MnSbSe2I,-4.97478155,-0.6235403825,0.0043300185,0.0043300185,GGA,C2/m,ABCD2_mC20_12_i_ac_i_2i:I-Mn-Sb-Se,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_ad_i_4i:I-Mn-Sb-Se, expected MnSbSe4I to be MnSbSe2I" +mp-22996,SbSeI,-3.6515225133,-0.6187628241,0.0,-0.0165967,GGA,Pnma,ABC_oP12_62_c_c_c:I-Sb-Se,12.0,ABC_oP12_62_c_c_c:I-Sb-Se +mp-555156,MnCrF5,-7.0540892486,-3.0008810201,0.0094320936,0.0094320936,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Cr-F-Mn,14.0,AB5C_mC28_15_c_e2f_e:Cr-F-Mn +mp-1228863,CsMnCrF6,-6.5482201189,-3.0838491257,0.0,-0.0287877348,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Cr-Cs-F-Mn,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Cr-Cs-F-Mn, expected CsMnCrF12 to be CsMnCrF6" +mp-560381,RbIn3F10,-4.9014378471,-2.8764110659,0.0065624437,0.0065624437,GGA,P222_1,A10B3C_oP28_17_ac4e_2ab_d:F-In-Rb,28.0,"Invalid WP multiplicities - A10B3C_oP28_17_2a2c13e_4ab_d:F-In-Rb, expected RbIn5F30 to be RbIn3F10" +mp-1179709,RbIn3F10,-4.9022087321,-2.8771819509,0.0057915587,0.0057915587,GGA,Pmma,A10B3C_oP28_51_aejkl_cg_f:F-In-Rb,28.0,"Invalid WP multiplicities - A10B3C_oP28_51_aejkl_c2g_f:F-In-Rb, expected RbIn5F10 to be RbIn3F10" +mp-1110608,Rb2InAgF6,-4.526358544,-2.6249403757,0.0,-0.021249499,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-Rb +mp-1110662,RbInF3,-4.627204056,-2.733873115,0.0086619907,0.0086619907,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:F-In-Rb,10.0,A3BC_cF40_225_e_ab_c:F-In-Rb +mp-554576,Rb2In3F11,-4.8718977552,-2.9192485066,0.0,-0.023395492,GGA,P2_1/m,A11B3C2_mP64_11_6e8f_3f_4e:F-In-Rb,64.0,"Invalid WP multiplicities - A11B3C2_mP64_11_6e11f_3f_4e:F-In-Rb, expected Rb2In3F14 to be Rb2In3F11" +mp-1202988,Rb2In3F11,-4.8700898305,-2.9174405819,0.0018079247,-0.0215875673,GGA,P2_1/m,A11B3C2_mP64_11_6e8f_3f_4e:F-In-Rb,64.0,A11B3C2_mP64_11_6e8f_3f_4e:F-In-Rb +mp-1113830,Rb3InF6,-4.673061131,-2.9568451558,0.0,-0.0584613306,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-In-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-In-Rb +mp-1225948,CsGaNiF6,-5.1784974172,-2.8259964306,0.0,-0.0331385159,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Ga-Ni,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Ga-Ni, expected CsGaNiF12 to be CsGaNiF6" +mp-1008873,MnCoSe,-6.8066395933,-0.2178914051,0.1776194317,0.1776194317,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Mn-Se,3.0,ABC_cF12_216_c_a_b:Co-Mn-Se +mp-1216983,U2MnCoSe6,-7.059817453,-1.0769552557,0.0283232163,0.0283232163,GGA,C2/m,ABC6D2_mC20_12_a_c_3i_i:Co-Mn-Se-U,,ABC6D2_mC20_12_a_d_3i_i:Co-Mn-Se-U +mp-1216660,UMnCo,-9.2883812817,-0.1011335826,0.0776754232,0.0776754232,GGA,Imma,ABC_oI12_74_a_c_e:Co-Mn-U,6.0,ABC_oI12_74_a_c_e:Co-Mn-U +mp-1188226,UCoSe3,-6.8113309175,-1.0338384699,0.0557209984,0.0557209984,GGA,Pnma,AB3C_oP20_62_a_cd_c:Co-Se-U,20.0,AB3C_oP20_62_a_cd_c:Co-Se-U +mp-1221754,MnCoSe2,-6.22850919,-0.4129701794,0.1409985667,0.1409985667,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Mn-Se,4.0,ABC2_hP4_164_a_b_d:Co-Mn-Se +mp-1221682,MnCoSe2,-6.1957729125,-0.3802339019,0.1737348442,0.1737348442,GGA,R-3m,ABC2_hR12_166_a_b_c:Co-Mn-Se,4.0,ABC2_hR12_166_a_b_c:Co-Mn-Se +mp-1194359,U8MnSe17,-7.4812882888,-1.3688348084,0.0168380105,0.0168380105,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Mn-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Mn-Se-U +mp-1192855,U8CoSe17,-7.432579785,-1.3991146698,0.0,-0.0194876215,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Co-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Co-Se-U +mp-19912,UMnSe3,-7.237256277,-1.04902433,0.0593061916,0.0593061916,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Mn-Se-U,10.0,AB3C_oC20_63_a_cf_c:Mn-Se-U +mp-1215520,Zn2GeS3,-4.0164606533,-0.7578165407,0.1181580294,0.1181580294,GGA,P3m1,AB3C2_hP6_156_a_abc_bc:Ge-S-Zn,6.0,AB3C2_hP6_156_a_abc_bc:Ge-S-Zn +mp-569115,Li2ZnGe,-2.7647724362,-0.3396181367,0.0,-0.056069606,GGA,P-3m1,AB2C_hP16_164_2d_4d_2c:Ge-Li-Zn,16.0,"Invalid WP multiplicities - AB2C_hP16_164_3d_7d_3c:Ge-Li-Zn, expected Li7(ZnGe)3 to be Li2ZnGe" +mp-12411,Li2ZnGe,-2.7475546,-0.3224003004,0.0172178362,-0.0388517698,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ge-Li-Zn,4.0,AB2C_cF16_216_a_bc_d:Ge-Li-Zn +mp-567389,Li2ZnGe,-2.6631681975,-0.2380138979,0.1016042387,0.0455346327,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Li-Zn,4.0,AB2C_cF16_225_a_c_b:Ge-Li-Zn +mp-1222324,LiZnGe,-2.84653328,-0.2493018361,0.0003722756,-0.0225627307,GGA,P3m1,ABC_hP9_156_2ab_3c_a2b:Ge-Li-Zn,9.0,ABC_hP9_156_2ab_3c_a2b:Ge-Li-Zn +mp-569788,LiZnGe,-2.8469055556,-0.2496741117,0.0,-0.0229350062,GGA,P-6m2,ABC_hP9_187_ah_fi_cg:Ge-Li-Zn,9.0,"Invalid WP multiplicities - ABC_hP9_187_ah_f2i_cg:Ge-Li-Zn, expected Li5(ZnGe)3 to be LiZnGe" +mp-1210804,Li2ZnGeS4,-4.417332415,-1.1365303318,0.0,-0.0238289671,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Ge-Li-S-Zn,16.0,AB2C4D_oP16_31_a_b_2ab_a:Ge-Li-S-Zn +mp-1223160,Li13Zn11Ge12,-2.70085643,-0.085592229,0.1771340518,0.1771340518,GGA,P-6m2,A12B13C11_hP36_187_abg4h_cef5i_d4gh:Ge-Li-Zn,36.0,"Invalid WP multiplicities - A12B13C11_hP36_187_ab2g8h_cef10i_d8g2h:Ge-Li-Zn, expected Li23Zn21Ge22 to be Li13Zn11Ge12" +mp-675748,Zn2GeS4,-4.2625056714,-0.8784607368,0.0136119265,0.0136119265,GGA,I-42m,AB4C2_tI14_121_a_i_d:Ge-S-Zn,7.0,AB4C2_tI14_121_a_i_d:Ge-S-Zn +mp-1222627,Li2ZnGe3,-3.3621846,-0.2044057819,0.0220063092,0.0220063092,GGA,P3m1,A3B2C_hP6_156_a2b_2c_a:Ge-Li-Zn,6.0,A3B2C_hP6_156_a2b_2c_a:Ge-Li-Zn +mp-998429,NiAgF3,-4.7291842840000005,-1.8597583668,0.025468156,0.025468156,GGA+U,Cmcm,AB3C_oC20_63_c_cf_a:Ag-F-Ni,10.0,AB3C_oC20_63_c_cf_a:Ag-F-Ni +mp-998365,NiAgF3,-4.702922782,-1.8334968648,0.051729658,0.051729658,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ag-F-Ni,5.0,AB3C_cP5_221_a_c_b:Ag-F-Ni +mp-1209766,NiAgF3,-3.769799054,-0.9003731368000001,0.984853386,0.984853386,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ag-F-Ni,5.0,AB3C_cP5_221_b_c_a:Ag-F-Ni +mp-1357103,AlNi3F15,-4.4613291168,-1.8424780441,0.1295233214,0.1295233214,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Ni,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Ni, expected AlNi6F54 to be AlNi3F15" +mp-1254498,AlNi3F15,-4.4845096371,-1.8656585643,0.1063428012,0.1063428012,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Ni,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Ni, expected AlNi6F54 to be AlNi3F15" +mp-1214923,AlAgF4,-5.3136444996,-2.9429698824,0.0486237396,0.0486237396,GGA,P2_12_12,ABC4_oP24_18_ab_c_4c:Ag-Al-F,24.0,ABC4_oP24_18_ab_c_4c:Ag-Al-F +mp-1214829,AlNiAg2F7,-5.0929891668,-2.4956094133,0.0,-0.0069099273,GGA+U,Imma,A2BC7D_oI44_74_ac_b_ehj_d:Ag-Al-F-Ni,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_2e2hj_d:Ag-Al-F-Ni, expected AlNiAg2F10 to be AlNiAg2F7" +mp-1263325,AlNiF5,-5.8774286,-3.1512704075,0.0543765793,0.0543765793,GGA+U,Immm,AB5C_oI14_71_a_ceg_b:Al-F-Ni,7.0,AB5C_oI14_71_a_ceg_b:Al-F-Ni +mp-1205591,AlAg3F6,-4.57436193,-2.2031501655,0.0854225515,0.0854225515,GGA,Fm-3m,A3BC6_cF40_225_ac_b_e:Ag-Al-F,10.0,A3BC6_cF40_225_ac_b_e:Ag-Al-F +mp-1222864,LaPr3(GaO3)4,-7.589446783,-3.0518781332,0.0341894491,0.0341894491,GGA,Pm,A4BC12D3_mP20_6_2c_a_2a2b4c_a2b:Ga-La-O-Pr,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_6_4c_a_2a2b8c_a2b:Ga-La-O-Pr, expected LaPr3(Ga2O5)4 to be LaPr3(GaO3)4" +mp-755355,La2Pr2O7,-8.2492957191,-3.3346914737,0.1247478442,0.1247478442,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Pr,22.0,A2B7C2_cF88_227_c_af_d:La-O-Pr +mp-779511,Ba2MgO3,-6.2501458179,-2.8704298073,0.0304361954,0.0304361954,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Ba-Mg-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_5f_f_4e7f:Ba-Mg-O, expected Ba5MgO9 to be Ba2MgO3" +mp-631498,BaMgOs2,-5.17170759,1.3217898725,1.349463055,1.349463055,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Mg-Os,4.0,ABC2_cF16_225_a_b_c:Ba-Mg-Os +mp-1016843,MgOsO3,-6.913052246,-1.3795095232,0.648656036,0.648656036,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Os,5.0,AB3C_cP5_221_a_c_b:Mg-O-Os +mp-756018,BaMgO2,-6.2545927958,-2.9014346927,0.0377248842,0.0377248842,GGA,P3_121,ABC2_hP12_152_a_b_c:Ba-Mg-O,12.0,ABC2_hP12_152_a_b_c:Ba-Mg-O +mp-1024040,BaMg3O4,-5.6447891163,-2.3314678744,0.6651320637,0.6651320637,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Ba-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Ba-Mg-O, expected BaMg3O7 to be BaMg3O4" +mp-1206133,Ba2MgOsO6,-7.238229766,-2.6036568033,0.0,-0.0761576778,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-Os +mp-754239,ScGaO3,-7.8832921735,-3.0431659212,0.0764621099,0.0764621099,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ga-O-Sc, expected ScGaO7 to be ScGaO3" +mp-769079,ScGaO3,-7.955223722699999,-3.1150974704,0.0045305607,0.0045305607,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ga-O-Sc,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b11c_a2b:Ga-O-Sc, expected Sc5Ga3O40 to be ScGaO3" +mp-754165,ScGaO3,-7.942142936,-3.1020166838,0.0176113474,0.0176113474,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Ga-O-Sc,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_2b3f_a:Ga-O-Sc, expected ScGaO8 to be ScGaO3" +mp-555835,Gd3Sc2(GaO4)3,-8.8142103858,-2.6473175091,0.6906240404,0.6906240404,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ga-Gd-O-Sc,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ga-Gd-O-Sc +mp-5690,GdScO3,-10.9708225165,-3.9210910207,0.0117445719,0.0117445719,GGA,Pnma,AB3C_oP20_62_c_cd_a:Gd-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Gd-O-Sc +mp-1186757,SrZnO3,-5.43028577,-1.8724251306,0.167972298,0.167972298,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Zn,5.0,A3BC_cP5_221_c_a_b:O-Sr-Zn +mp-20489,SrPbO3,-6.2053422305,-2.1569008991,0.0,-0.0394191175,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Pb-Sr,20.0,"Invalid WP multiplicities - A3BC_oP20_62_4c4d_a_c:O-Pb-Sr, expected SrPbO12 to be SrPbO3" +mp-1096664,Sr2ZnPb,-0.93315342,1.1546909767,1.6002192545,1.6002192545,GGA,Immm,AB2C_oI8_71_a_e_b:Pb-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Pb-Sr-Zn +mp-1187098,Sr2ZnPb,-2.5126925375,-0.4248481408,0.020680137,0.020680137,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Sr-Zn,4.0,AB2C_cF16_225_a_c_b:Pb-Sr-Zn +mp-1078329,ZnPbO3,-5.436857545,-1.4743661823,0.022545058,0.022545058,GGA,R3c,A3BC_hR30_161_b_a_a:O-Pb-Zn,10.0,A3BC_hR30_161_b_a_a:O-Pb-Zn +mp-20944,Sr2PbO4,-6.3073887079,-2.4676188762,0.0,-0.0476248075,GGA,Pbam,A4BC2_oP14_55_gh_a_h:O-Pb-Sr,14.0,A4BC2_oP14_55_gh_a_h:O-Pb-Sr +mp-1078385,SrZnO5,-5.0027792943,-1.0481106343,0.4093161004,0.4093161004,GGA,P1,A5BC_aP7_1_5a_a_a:O-Sr-Zn,7.0,A5BC_aP7_1_5a_a_a:O-Sr-Zn +mp-1179015,SrZnO5,-4.94637581,-0.9917071501,0.4657195846,0.4657195846,GGA,P1,A5BC_aP7_1_5a_a_a:O-Sr-Zn,7.0,A5BC_aP7_1_5a_a_a:O-Sr-Zn +mp-1208821,SrZnO5,-5.0357162136,-1.0810475536,0.3763791811,0.3763791811,GGA,P-1,A5BC_aP14_2_5i_i_i:O-Sr-Zn,14.0,A5BC_aP14_2_5i_i_i:O-Sr-Zn +mp-19944,Sr3PbO,-4.333599782,-1.5880365538,0.0,-0.03269908,GGA,Pm-3m,ABC3_cP5_221_b_a_c:O-Pb-Sr,5.0,ABC3_cP5_221_b_a_c:O-Pb-Sr +mp-5637,SrZnO2,-5.6468054437,-2.4361518223,0.0,-0.0015206962,GGA,Pnma,A2BC_oP16_62_2c_c_c:O-Sr-Zn,16.0,A2BC_oP16_62_2c_c_c:O-Sr-Zn +mp-1218569,Sr5Zn(PbO4)3,-6.1413394038,-2.3220338504,0.0072156392,0.0072156392,GGA,P31m,A12B3C5D_hP21_157_2cd_c_bc_a:O-Pb-Sr-Zn,21.0,A12B3C5D_hP21_157_2cd_c_bc_a:O-Pb-Sr-Zn +mp-1019280,SrZnPb,-2.6019488117,-0.3813207672,0.017397942,0.017397942,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Pb-Sr-Zn,6.0,ABC_hP6_194_c_a_d:Pb-Sr-Zn +mp-1516702,NdDy(CoO3)4,-6.9637760144000005,-1.5655276818,0.2393276464,0.2393276464,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Co-Dy-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Co-Dy-Nd-O, expected NdDy(Co2O9)2 to be NdDy(CoO3)4" +mp-1206526,Nd2CoO4,-8.14251865,-2.9380375779000003,0.1307605793,0.1307605793,GGA+U,I4/mmm,AB2C4_tI14_139_a_e_ce:Co-Nd-O,7.0,AB2C4_tI14_139_a_e_ce:Co-Nd-O +mp-22137,DyCoO3,-7.927326137,-2.6162919832,0.006815083,0.006815083,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Dy-O,20.0,ABC3_oP20_62_a_c_cd:Co-Dy-O +mp-22599,NdCoO3,-7.870058806,-2.5267525338,0.0,-0.0177124243,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Co-Nd-O +mp-20031,NdCoO3,-7.791900062,-2.4485937897,0.078158744,0.0604463197,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-Nd-O,5.0,ABC3_cP5_221_b_a_c:Co-Nd-O +mp-562894,Nd4Co3O10,-8.0198601554,-2.7337172009,0.0272157813,0.0272157813,GGA+U,P2_1/c,A3B4C10_mP68_14_ad2e_4e_10e:Co-Nd-O,68.0,A3B4C10_mP68_14_ab2e_4e_10e:Co-Nd-O +mp-1176502,LuNbO4,-9.2823060125,-3.547470945,0.035751995,-0.0583036955,GGA,C2/m,ABC4_mC24_12_i_i_4i:Lu-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mC24_12_i_i_7i:Lu-Nb-O, expected LuNbO7 to be LuNbO4" +mp-754614,LuNbO4,-9.3107787642,-3.5759436967,0.0072792433,-0.0867764472,GGA,P2/c,ABC4_mP12_13_e_f_2g:Lu-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_5g:Lu-Nb-O, expected LuNbO10 to be LuNbO4" +mp-644492,LuNbO4,-9.3180580075,-3.58322294,0.0,-0.0940556905,GGA,C2/c,ABC4_mC24_15_e_e_2f:Lu-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Lu-Nb-O +mp-1208701,Sr3Lu2O12,-6.1531277365,-1.8313250344,0.5499078171,0.5499078171,GGA,Ia-3d,A2B12C3_cI136_230_a_h_c:Lu-O-Sr,68.0,A2B12C3_cI136_230_a_h_c:Lu-O-Sr +mp-768342,SrNb2O4,-8.943446465000001,-2.9893238395,0.0,-0.0502796083,GGA,Pbcm,A2B4C_oP28_57_cd_2de_d:Nb-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_2cd_4de_d:Nb-O-Sr, expected SrNb3O6 to be SrNb2O4" +mp-1208719,Sr3NbO6,-7.375887878,-2.8908961113,0.212515139,0.212515139,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Nb-O-Sr,10.0,AB6C3_cF40_225_a_e_bc:Nb-O-Sr +mp-10339,SrNbO3,-8.507971198,-3.1817982726,0.0073766345,0.0073766345,GGA,Pnma,AB3C_oP20_62_a_cd_c:Nb-O-Sr,20.0,AB3C_oP20_62_a_cd_c:Nb-O-Sr +mp-1173150,SrNbO3,-8.5061820585,-3.1800091331,0.009165774,0.009165774,GGA,P4/mbm,AB3C_tP10_127_a_bg_c:Nb-O-Sr,20.0,"Invalid WP multiplicities - AB3C_tP10_127_a_3b4g_c:Nb-O-Sr, expected SrNbO11 to be SrNbO3" +mp-7006,SrNbO3,-8.502292542,-3.1761196166,0.0130552905,0.0130552905,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nb-O-Sr,5.0,AB3C_cP5_221_b_c_a:Nb-O-Sr +mp-22772,Sr2Nb5O9,-9.0135405,-2.8631835933,0.038511901,0.038511901,GGA,P4/mmm,A5B9C2_tP16_123_aeg_dfgi_h:Nb-O-Sr,16.0,"Invalid WP multiplicities - A5B9C2_tP16_123_ae2g_dfgi_h:Nb-O-Sr, expected Sr2Nb7O9 to be Sr2Nb5O9" +mp-617266,SrNb4O6,-9.2320109491,-2.7070249599,0.0273800571,0.0273800571,GGA,P4/mmm,A4B6C_tP22_123_abgi_efghi_h:Nb-O-Sr,22.0,"Invalid WP multiplicities - A4B6C_tP22_123_abg2i_2e2f2g2h4i_h:Nb-O-Sr, expected SrNb6O16 to be SrNb4O6" +mp-541049,Sr7Nb6O21,-8.4555098771,-3.2697820138,0.0,-0.0028243991,GGA,R-3,A6B21C7_hR102_148_3c_d3f_b3c:Nb-O-Sr,34.0,"Invalid WP multiplicities - A6B21C7_hR102_148_6c_2d14f_b4c:Nb-O-Sr, expected Sr3Nb4O30 to be Sr7Nb6O21" +mp-4591,SrNb2O6,-8.9691420433,-3.238893621,0.0,-0.0408610579,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Nb-O-Sr,36.0,A2B6C_mP36_14_2e_6e_e:Nb-O-Sr +mp-677636,Sr22Nb10O47,-7.896567068,-3.204462311,0.0712361694,0.0712361694,GGA,P1,A10B47C22_aP79_1_10a_47a_22a:Nb-O-Sr,79.0,A10B47C22_aP79_1_10a_47a_22a:Nb-O-Sr +mp-685295,Sr22Nb10O47,-7.8382081487,-3.1461033917,0.1295950886,0.1295950886,GGA,P1,A10B47C22_aP79_1_10a_47a_22a:Nb-O-Sr,79.0,A10B47C22_aP79_1_10a_47a_22a:Nb-O-Sr +mp-1218198,SrNb4O14,-8.1703234195,-2.3098836526,0.3425290306,0.3425290306,GGA,R-3m,A4B14C_hR57_166_ad_c2h_b:Nb-O-Sr,19.0,"Invalid WP multiplicities - A4B14C_hR57_166_ad_c9h_b:Nb-O-Sr, expected SrNb4O56 to be SrNb4O14" +mp-760083,Sr5Nb5O16,-8.4965629885,-3.1849856097,0.0539525688,0.0539525688,GGA,Pmn2_1,A5B16C5_oP52_31_5a_16a_5a:Nb-O-Sr,52.0,"Invalid WP multiplicities - A5B16C5_oP52_31_10a_31a_9a:Nb-O-Sr, expected Sr9Nb10O31 to be Sr5Nb5O16" +mp-14482,SrNb6O16,-9.2394452522,-3.0896912055,0.0251626802,0.0251626802,GGA,Amm2,A6B16C_oC46_38_2a2d_2a2b4d2e_b:Nb-O-Sr,23.0,"Invalid WP multiplicities - A6B16C_oC46_38_2a3d_2a2b5d2e_b:Nb-O-Sr, expected SrNb8O18 to be SrNb6O16" +mp-676725,Lu3NbO7,-8.9083342991,-3.6091545192,0.2202587756,0.2202587756,GGA,Pc,A3BC7_mP22_7_3a_a_7a:Lu-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_39_cd_a_2c10d:Lu-Nb-O, expected Lu3NbO22 to be Lu3NbO7" +mp-1101627,Lu3NbO7,-8.9066326968,-3.6074529169,0.2219603778,0.2219603778,GGA,Cmme,A3BC7_oC44_67_cn_a_gno:Lu-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_67_cn_a_2g3n4o:Lu-Nb-O, expected Lu3NbO24 to be Lu3NbO7" +mp-1101427,Sr7Nb34O52,-9.3201837831,-2.7341769173,0.0108883472,0.0108883472,GGA,Cm,A34B52C7_mC186_8_8a13b_26a13b_7a:Nb-O-Sr,93.0,A34B52C7_mC186_8_8a13b_26a13b_7a:Nb-O-Sr +mp-1203589,Sr5Nb5O17,-8.5789430061,-3.2808800225,0.0011822285,0.0006293636,GGA,Pnn2,A5B17C5_oP54_34_a2c_a8c_b2c:Nb-O-Sr,54.0,A5B17C5_oP54_34_a2c_a8c_b2c:Nb-O-Sr +mp-505228,Sr5Nb5O17,-8.5801252346,-3.282062251,0.0,-0.000552865,GGA,Pnnm,A5B17C5_oP54_58_a2g_b8g_c2g:Nb-O-Sr,54.0,A5B17C5_oP54_58_a2g_b8g_c2g:Nb-O-Sr +mp-724767,Sr6Nb2O11,-6.2885084797,-1.8278165522,1.4145393618,1.4145393618,GGA,P1,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr,38.0,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr +mp-686028,Sr6Nb2O11,-7.67658209,-3.2158901624,0.0264657516,0.0264657516,GGA,P1,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr,38.0,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr +mp-1331225,Sr6Nb2O11,-7.3392999974,-2.8786080698000003,0.3637478442,0.3637478442,GGA,P1,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr,38.0,A2B11C6_aP38_1_4a_22a_12a:Nb-O-Sr +mp-676519,Sr6Nb7O21,-8.6431480682,-3.2100139819,0.0117785962,0.0117785962,GGA,P1,A7B21C6_aP34_1_7a_21a_6a:Nb-O-Sr,34.0,"Invalid WP multiplicities - A7B21C6_hR102_148_af_3d13f_f:Nb-O-Sr, expected Sr6Nb7O87 to be Sr6Nb7O21" +mp-1173080,Sr6Nb7O21,-8.6435759391,-3.2104418528,0.0113507253,0.0113507253,GGA,R-3,A7B21C6_hR102_148_af_d3f_f:Nb-O-Sr,34.0,"Invalid WP multiplicities - A7B21C6_hR102_148_af_3d13f_f:Nb-O-Sr, expected Sr6Nb7O87 to be Sr6Nb7O21" +mp-761057,Sr5Nb4O15,-8.4271477681,-3.2999386808,0.0,-0.0030591469,GGA,P-3c1,A4B15C5_hP48_165_cd_f2g_a2d:Nb-O-Sr,48.0,"Invalid WP multiplicities - A4B15C5_hP48_165_c2d_3f14g_a7d:Nb-O-Sr, expected Sr5Nb2O31 to be Sr5Nb4O15" +mp-1188959,Sr2LuNbO6,-8.2933472595,-3.5252097861,0.0,-0.0293066362,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Lu-Nb-O-Sr,20.0,ABC6D2_mP20_14_a_d_3e_e:Lu-Nb-O-Sr +mp-1205760,Sr2LuNbO6,-8.245683974,-3.4775465006,0.0476632855,0.0183566493,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Lu-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Lu-Nb-O-Sr +mp-772820,SrLu2O4,-8.1951805982,-3.8354449785,0.0,-0.0097788945,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Lu-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:Lu-O-Sr, expected SrLu5O13 to be SrLu2O4" +mp-756580,SrLu2O4,-8.163674225,-3.8039386052,0.0315063732,0.0217274787,GGA,Cmcm,A2B4C_oC28_63_f_acf_c:Lu-O-Sr,14.0,"Invalid WP multiplicities - A2B4C_oC28_63_f_a2cf_c:Lu-O-Sr, expected SrLu2O5 to be SrLu2O4" +mp-756646,SrLu2O4,-8.1853016214,-3.8255660017,0.0098789768,0.0001000823,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Lu-O-Sr,14.0,A2B4C_cF56_227_c_e_b:Lu-O-Sr +mp-756435,Sr3Nb4O13,-8.6638666315,-3.1748339432,0.0986075735,0.0986075735,GGA,I4/mmm,A4B13C3_tI40_139_2e_a2e2g_be:Nb-O-Sr,20.0,"Invalid WP multiplicities - A4B13C3_tI40_139_3e_a4e6g_b2e:Nb-O-Sr, expected Sr5Nb6O33 to be Sr3Nb4O13" +mp-756724,Lu2Nb2O7,-9.2168424077,-3.4103576715,0.0979680095,0.0979680095,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Lu-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Lu-Nb-O, expected LuNbO10 to be Lu2Nb2O7" +mp-1173426,Sr14Nb19O57,-8.7204228614,-3.1922121876,0.0375546173,0.0375546173,GGA,P4/mmm,A19B57C14_tP90_123_b9g_ae9g9i_7h:Nb-O-Sr,90.0,"Invalid WP multiplicities - A19B57C14_tP90_123_b17g_a2e17g34i_14h:Nb-O-Sr, expected Sr4Nb5O25 to be Sr14Nb19O57" +mp-1218550,Sr4Nb5O15,-8.6964516317,-3.2187503949,0.008734706,0.008734706,GGA,C2/m,A5B15C4_mC48_12_a2i_de2i2j_2i:Nb-O-Sr,24.0,"Invalid WP multiplicities - A5B15C4_mC48_12_c4i_a2e3i5j_3i:Nb-O-Sr, expected Sr6Nb9O31 to be Sr4Nb5O15" +mp-676684,Sr4Nb2O9,-7.9753038803,-3.209918394,0.0763385657,0.0455779492,GGA,P1,A2B9C4_aP30_1_4a_18a_8a:Nb-O-Sr,30.0,A2B9C4_aP30_1_4a_18a_8a:Nb-O-Sr +mp-1173213,Sr4Nb2O9,-7.977461867,-3.2120763807,0.074180579,0.0434199625,GGA,P1,A2B9C4_aP30_1_4a_18a_8a:Nb-O-Sr,30.0,A2B9C4_aP30_1_4a_18a_8a:Nb-O-Sr +mp-1187317,Sr4Nb2O9,-8.051642446,-3.2862569597,0.0,-0.0307606165,GGA,P-1,A2B9C4_aP30_2_2i_9i_ab3i:Nb-O-Sr,30.0,A2B9C4_aP30_2_2i_9i_ab3i:Nb-O-Sr +mp-675416,Sr4Nb2O9,-7.969983338,-3.2045978517,0.081659108,0.0508984915,GGA,C2/c,A2B9C4_mC120_15_cef_9f_2e3f:Nb-O-Sr,60.0,"Invalid WP multiplicities - A2B9C4_mC120_15_c2e2f_33f_4e10f:Nb-O-Sr, expected Sr24Nb7O66 to be Sr4Nb2O9" +mp-1218647,Sr4Nb2O9,-7.9733347193,-3.207949233,0.0783077267,0.0475471102,GGA,Immm,A2B9C4_oI60_71_abg_e3ln_fhn:Nb-O-Sr,30.0,"Invalid WP multiplicities - A2B9C4_oI60_71_abg_2e12l2n_2fh2n:Nb-O-Sr, expected Sr7Nb2O30 to be Sr4Nb2O9" +mp-1173595,Sr14Nb6O29,-7.8613874355,-3.2141484312,0.0550856741,0.0550856741,GGA,P1,A6B29C14_aP49_1_6a_29a_14a:Nb-O-Sr,49.0,A6B29C14_aP49_1_6a_29a_14a:Nb-O-Sr +mp-15590,Sr2Nb2O7,-8.5922662178,-3.3005918573,0.0011161194,-0.0173018292,GGA+U,Pna2_1,A2B7C2_oP88_33_4a_14a_4a:Nb-O-Sr,88.0,"Invalid WP multiplicities - A2B7C2_oP88_33_4a_17a_4a:Nb-O-Sr, expected Sr4Nb4O17 to be Sr2Nb2O7" +mp-3870,Sr2Nb2O7,-8.5933823373,-3.3017079768,0.0,-0.0184179486,GGA,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:Nb-O-Sr,22.0,A2B7C2_oC44_36_2a_7a_2a:Nb-O-Sr +mp-1208795,Sr3Nb5O15,-8.83768588,-3.195279957,0.0396454831,0.0396454831,GGA,P4bm,A5B15C3_tP46_100_bd_bc3d_ac:Nb-O-Sr,46.0,A5B15C3_tP46_127_cj_dhi2j_ag:Nb-O-Sr +mp-3790,SrNb8O14,-9.4530750391,-2.8550934856,0.0,-0.0350860131,GGA,Pbam,A8B14C_oP46_55_ghi_acgh2i_b:Nb-O-Sr,46.0,A8B14C_oP46_55_ghi_acgh2i_b:Nb-O-Sr +mp-1213972,Cr4Cu11O30,-6.1467492864,-0.9888798512,0.4791455895,0.4791455895,GGA+U,P-1,A4B11C30_aP45_2_2i_a5i_15i:Cr-Cu-O,45.0,A4B11C30_aP45_2_2i_a5i_15i:Cr-Cu-O +mp-1199882,Cr(CuO3)2,-6.3396118172,-1.0583236975,0.6029805233000001,0.6029805233000001,GGA+U,P2_1/c,AB2C6_mP36_14_e_abe_6e:Cr-Cu-O,36.0,AB2C6_mP36_14_e_abe_6e:Cr-Cu-O +mp-1189416,Cr(CuO3)2,-6.3073364983,-1.0260483786,0.6352558422,0.6352558422,GGA+U,Cmcm,AB2C6_oC36_63_c_d_2fg:Cr-Cu-O,18.0,AB2C6_oC36_63_c_d_2fg:Cr-Cu-O +mp-1043136,Cr4(CuO4)3,-7.3916419453,-1.5879538176,1.0111670845,1.0111670845,GGA+U,Im-3,A4B3C12_cI38_204_c_b_g:Cr-Cu-O,19.0,A4B3C12_cI38_204_c_b_g:Cr-Cu-O +mp-1226244,Cr6Cd(CuO6)2,-8.0146614319,-1.9956208388,0.9725523993,0.9725523993,GGA+U,Imm2,AB6C2D12_oI84_44_c_3cde_abc_6c2d2e:Cd-Cr-Cu-O,42.0,"Invalid WP multiplicities - AB6C2D12_oI84_44_c_6c2d2e_ab2c_12c4d7e:Cd-Cr-Cu-O, expected Cr12Cd(CuO10)3 to be Cr6Cd(CuO6)2" +mp-1226266,Cr6Cd(CuO6)2,-8.0144909783,-1.9954503852,0.9727228529,0.9727228529,GGA+U,I-4m2,AB6C2D12_tI84_119_e_3i_acf_6i:Cd-Cr-Cu-O,42.0,"Invalid WP multiplicities - AB6C2D12_tI84_119_e_10i_ac2f_24i:Cd-Cr-Cu-O, expected Cr20Cd(CuO16)3 to be Cr6Cd(CuO6)2" +mp-754978,CdCu2O3,-5.0381317817,-1.0445702427,0.03949972,0.03949972,GGA,Pmmn,AB2C3_oP12_59_a_e_be:Cd-Cu-O,12.0,"Invalid WP multiplicities - AB2C3_oP12_59_a_e_2b2e:Cd-Cu-O, expected Cd(CuO3)2 to be CdCu2O3" +mp-1147639,Cd(Cu3O4)2,-5.3349778467,-0.9955352153,0.014818016,0.014818016,GGA,Fm-3m,AB6C8_cF60_225_a_d_f:Cd-Cu-O,15.0,AB6C8_cF60_225_a_d_f:Cd-Cu-O +mp-752836,Cr4CuO12,-7.4935642106,-1.4893488526,0.6350277706,0.6350277706,GGA+U,C2,A4BC12_mC34_5_2c_a_6c:Cr-Cu-O,17.0,"Invalid WP multiplicities - A4BC12_mC34_5_4c_a_12c:Cr-Cu-O, expected Cr8CuO24 to be Cr4CuO12" +mp-764630,Cr3(CuO6)2,-6.9635758099,-1.2860569696,0.8619600961,0.8619600961,GGA+U,P2_1/c,A3B2C12_mP68_14_3e_2e_12e:Cr-Cu-O,68.0,"Invalid WP multiplicities - A3B2C12_mP68_14_11e_3e_43e:Cr-Cu-O, expected Cr11Cu3O43 to be Cr3(CuO6)2" +mp-772337,Cr3(CuO6)2,-6.9524153504,-1.2748965101,0.8731205555,0.8731205555,GGA+U,Pbcn,A3B2C12_oP68_60_cd_d_6d:Cr-Cu-O,68.0,"Invalid WP multiplicities - A3B2C12_oP68_60_2c2d_d_21d:Cr-Cu-O, expected Cr3CuO21 to be Cr3(CuO6)2" +mp-1183696,CrCuO3,-6.743428026,-1.0249639712,1.5484374339,1.5484374339,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Cu-O,5.0,ABC3_cP5_221_b_a_c:Cr-Cu-O +mp-1272781,Cr2CuO4,-8.1062223893,-1.93592861,1.4425404029,0.0245882336,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Cr-Cu-O,14.0,A2BC4_tI28_141_c_b_h:Cr-Cu-O +mp-1283513,Cr2CuO4,-8.1040035336,-1.9337097543,1.4447592586,0.0268070893,GGA+U,I4_1md,A2BC4_tI28_109_b_a_2b:Cr-Cu-O,14.0,A2BC4_tI28_141_c_b_h:Cr-Cu-O +mp-1103973,Cr2CuO4,-8.10739112,-1.9370973407,1.4413716721,0.0234195029,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Cu-O,14.0,A2BC4_tI28_141_c_b_h:Cr-Cu-O +mp-504573,Cr2CuO4,-9.5487627921,-3.3784690129,0.0,-1.4179521693,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Cu-O,14.0,A2BC4_cF56_227_c_b_e:Cr-Cu-O +mp-1041777,Cr2CuO7,-7.2096500407,-1.4064377818,0.9584905272,0.9584905272,GGA+U,P2/c,A2BC7_mP60_13_3g_eg_f10g:Cr-Cu-O,60.0,"Invalid WP multiplicities - A2BC7_mP60_13_9g_2e3g_2f38g:Cr-Cu-O, expected Cr9Cu4O39 to be Cr2CuO7" +mp-772099,Cd(CuO2)2,-5.2165582429,-1.0868356793,0.0,-0.1010989162,GGA,I4_1/a,AB2C4_tI28_88_a_d_f:Cd-Cu-O,14.0,AB2C4_tI28_88_a_d_f:Cd-Cu-O +mp-19262,Cr2CdO4,-7.8641159093,-2.1475816886,0.0,-0.0665172393,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Cr-O,14.0,AB2C4_cF56_227_a_d_e:Cd-Cr-O +mp-1226224,Cr4CdCuO8,-7.965802187099999,-2.0223881871,0.7406371636,0.7406371636,GGA+U,F-43m,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Cu-O,14.0,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Cu-O +mp-546035,Cr3CuO8,-7.7226788642,-1.6700239667,0.8201296036,0.8201296036,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-Cu-O,12.0,"Invalid WP multiplicities - A3BC8_mC24_12_ai_d_4i4j:Cr-Cu-O, expected Cr3CuO24 to be Cr3CuO8" +mp-1041470,CrCuO4,-6.9162663327,-1.3264315019,0.8180696691,0.8180696691,GGA+U,P2_1/c,ABC4_mP48_14_2e_2e_8e:Cr-Cu-O,48.0,"Invalid WP multiplicities - ABC4_mP48_14_5e_6e_26e:Cr-Cu-O, expected Cr5(Cu3O13)2 to be CrCuO4" +mp-504927,CrCuO4,-6.9425447508,-1.35270992,0.7917912509,0.7917912509,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Cu-O,12.0,ABC4_oC24_63_c_a_fg:Cr-Cu-O +mp-510625,CrCuO2,-7.6968636875,-1.7854557969,1.1707045894,1.1707045894,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cr-Cu-O,8.0,ABC2_hR12_166_a_b_c:Cr-Cu-O +mp-505562,CrCuO2,-7.6965075725,-1.7850996819,1.1710607044,1.1710607044,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Cr-Cu-O,8.0,ABC2_hP8_194_a_c_f:Cr-Cu-O +mp-17759,CrCdO4,-6.6869682671,-1.6265195879,0.0118191962,-0.132643726,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Cd-Cr-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Cd-Cr-O +mp-18781,CrCdO4,-6.6987874633,-1.6383387842,0.0,-0.1444629222,GGA+U,Cmcm,ABC4_oC24_63_a_c_fg:Cd-Cr-O,12.0,ABC4_oC24_63_a_c_fg:Cd-Cr-O +mp-1180445,Na2TeO5,-4.7337109656,-0.9184859611,0.6699187212000001,0.6699187212000001,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-Te,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-Te +mp-1188958,Na2TeO5,-4.9999864644,-1.1847614598,0.4036432225,0.4036432225,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-Te,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-Te +mp-1239000,Na2TeO5,-4.8159293588,-1.0007043542,0.5877003281000001,0.5877003281000001,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-Te,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-Te +mp-541619,Na2TeO3,-5.2936589521,-1.8555885164,0.0,-0.0646826766,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Na-O-Te,24.0,A2B3C_mP24_14_2e_3e_e:Na-O-Te +mp-666670,Na4TeO5,-3.8864209705,-0.5697359082,1.3119715635,1.1326757699,GGA,P-1,A4B5C_aP20_2_bc3i_5i_i:Na-O-Te,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bc5i_5i_i:Na-O-Te, expected Na6TeO5 to be Na4TeO5" +mp-15391,Na4TeO5,-5.198392534,-1.8817074717,0.0,-0.1792957936,GGA,P-1,A4B5C_aP20_2_bd3i_5i_i:Na-O-Te,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bd5i_5i_i:Na-O-Te, expected Na6TeO5 to be Na4TeO5" +mp-1221355,Na2GeTeO6,-5.959273568,-1.9501219077,0.0010568595,-0.0418094448,GGA,R3,AB2C6D_hR30_146_a_2a_2b_a:Ge-Na-O-Te,10.0,AB2C6D_hR30_146_a_2a_2b_a:Ge-Na-O-Te +mp-10340,Na2GeTeO6,-5.9603304275,-1.9511787672,0.0,-0.0428663043,GGA,P-31c,AB2C6D_hP20_163_c_f_i_a:Ge-Na-O-Te,20.0,AB2C6D_hP20_163_c_f_i_a:Ge-Na-O-Te +mp-28107,Na4Ge2Te5,-3.5279109682,-0.7776667545,0.0,-0.0197751663,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Ge-Na-Te,22.0,A2B4C5_aP22_2_2i_4i_5i:Ge-Na-Te +mp-568060,Na4Ge2Te5,-3.5243181884,-0.7740739747000001,0.0035927798,-0.0161823865,GGA,P2_1/c,A2B4C5_mP88_14_4e_8e_10e:Ge-Na-Te,88.0,"Invalid WP multiplicities - A2B4C5_mP88_14_11e_32e_35e:Ge-Na-Te, expected Na32Ge11Te35 to be Na4Ge2Te5" +mp-20254,Na2Te2O7,-5.6456143241,-1.6857522012,0.0,-0.0423177542,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Na-O-Te,22.0,A2B7C2_oI44_74_ac_ehj_bd:Na-O-Te +mp-16930,Na3GeTe3,-3.4080608957000003,-0.8337006935,0.0065248029,0.0065248029,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ge-Na-Te,28.0,AB3C3_mP28_14_e_3e_3e:Ge-Na-Te +mp-28713,Na2Te2O5,-5.4886732389,-1.7481059134,0.0,-0.0025090776,GGA,C2/c,A2B5C2_mC72_15_2f_5f_2f:Na-O-Te,36.0,A2B5C2_mC72_15_2f_5f_2f:Na-O-Te +mp-666156,Na2Te4O9,-3.8761152997,0.1064495378,1.764053029,1.7535334238,GGA,P-1,A2B9C4_aP30_2_2i_9i_4i:Na-O-Te,30.0,A2B9C4_aP30_2_2i_9i_4i:Na-O-Te +mp-28904,Na2Te4O9,-5.6401683287,-1.6576034912000002,0.0,-0.0105196052,GGA,P-1,A2B9C4_aP30_2_2i_9i_4i:Na-O-Te,30.0,A2B9C4_aP30_2_2i_9i_4i:Na-O-Te +mp-977117,NaTeO3,-5.449349088,-1.5881696239,0.1323754136,0.1323754136,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Te,5.0,AB3C_cP5_221_a_c_b:Na-O-Te +mp-560613,Na2TeO4,-5.4689069691,-1.8153196369,0.0,-0.0362554022,GGA,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Na-O-Te,56.0,"Invalid WP multiplicities - A2B4C_mP56_14_12e_31e_3e:Na-O-Te, expected Na12Te3O31 to be Na2TeO4" +mp-27537,Na2TeO4,-5.4663604632,-1.812773131,0.0025465059,-0.0337088963,GGA,Pbcn,A2B4C_oP28_60_2c_2d_c:Na-O-Te,28.0,A2B4C_oP28_60_2c_2d_c:Na-O-Te +mp-1079529,NaTeO6,-4.8306422325,-0.5623968007,0.5965578376,0.5965578376,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Na-O-Te,8.0,AB6C_cF32_225_a_e_b:Na-O-Te +mp-1198930,LiGa(SeO3)2,-5.8817189402,-1.7208215291000002,0.0,-0.0553436851,GGA,I-42d,ABC6D2_tI80_122_d_d_3e_e:Ga-Li-O-Se,40.0,ABC6D2_tI80_122_d_d_3e_e:Ga-Li-O-Se +mp-1196063,Ga2Se2O7,-6.0263397875,-1.6922637894,0.0,-0.030559167,GGA,Pccn,A2B7C2_oP88_56_cde_7e_2e:Ga-O-Se,88.0,A2B7C2_oP88_56_cde_7e_2e:Ga-O-Se +mp-1102069,LaNiP,-6.5443594217,-1.1678773244,0.0,-0.0904864073,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:La-Ni-P,12.0,ABC_hP12_194_ab_f_f:La-Ni-P +mp-1212852,La15Ge9P,-5.626820438,-0.7843940469,0.0,-0.0003703946,GGA,P6_3mc,A9B15C_hP50_186_3c_3cd_b:Ge-La-P,50.0,A9B15C_hP50_186_3c_3cd_b:Ge-La-P +mp-16958,LaNi5P3,-6.3756611511,-0.8115947039,0.0,-0.060233979,GGA,Cmcm,AB5C3_oC36_63_c_a2f_cf:La-Ni-P,18.0,"Invalid WP multiplicities - AB5C3_oC36_63_c_a3f_cf:La-Ni-P, expected LaNi7P3 to be LaNi5P3" +mp-17684,La6Ni6P17,-6.3144143662,-0.9239659068,0.0,-0.0415852707,GGA,I-43m,A6B6C17_cI58_217_e_d_acg:La-Ni-P,29.0,A6B6C17_cI58_217_e_d_acg:La-Ni-P +mp-1210211,Ni16GeP5,-6.0883921186,-0.4442226973,0.0,-0.006922003,GGA,P-1,AB16C5_aP22_2_b_8i_e2i:Ge-Ni-P,22.0,AB16C5_aP22_2_b_8i_e2i:Ge-Ni-P +mp-1223427,La2Ni4GeP3,-6.305289217,-0.9197395865,0.0061645285,0.0061645285,GGA,P4mm,AB2C4D3_tP10_99_a_ab_2c_a2b:Ge-La-Ni-P,10.0,"Invalid WP multiplicities - AB2C4D3_tP10_99_a_ab_4c_a2b:Ge-La-Ni-P, expected La2Ni8GeP3 to be La2Ni4GeP3" +mp-1219800,Ni6Ge2P,-5.8841076578,-0.4018656248,0.0,-0.0261255779,GGA,P-62m,A2B6C_hP9_189_c_fg_b:Ge-Ni-P,9.0,A2B6C_hP9_189_c_fg_b:Ge-Ni-P +mp-1223467,La2Ni4Ge3P,-6.000770339,-0.7732756388,0.0,-0.001145447,GGA,P4mm,A3B2C4D_tP10_99_a2b_ab_2c_a:Ge-La-Ni-P,10.0,"Invalid WP multiplicities - A3B2C4D_tP10_99_a2b_ab_4c_a:Ge-La-Ni-P, expected La2Ni8Ge3P to be La2Ni4Ge3P" +mp-618929,Ni2GeP,-5.7599937372,-0.3608428068,0.0219805983,0.0219805983,GGA,Pbca,AB2C_oP32_61_c_2c_c:Ge-Ni-P,32.0,"Invalid WP multiplicities - AB2C_oP32_61_c_9c_c:Ge-Ni-P, expected Ni9GeP to be Ni2GeP" +mp-1179970,Ni2GeP,-5.7608318281,-0.3616808977,0.0211425073,0.0211425073,GGA,Pbca,AB2C_oP32_61_c_2c_c:Ge-Ni-P,32.0,"Invalid WP multiplicities - AB2C_oP32_61_c_5c_c:Ge-Ni-P, expected Ni5GeP to be Ni2GeP" +mp-1224382,La3Ni7P5,-6.4087992538,-0.9197665466,0.0343412055,0.0343412055,GGA,Pm,A3B7C5_mP60_6_6a6b_13a15b_10a10b:La-Ni-P,60.0,A3B7C5_mP60_6_6a6b_13a15b_10a10b:La-Ni-P +mp-8250,La(NiP)2,-6.45804492,-0.9934678243,0.0,-0.0189012539,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Ni-P,5.0,AB2C2_tI10_139_a_d_e:La-Ni-P +mp-662818,Ni5Ge2P3,-5.814835471,-0.376170808,0.0222226633,0.0222226633,GGA,Pbca,A2B5C3_oP80_61_2c_5c_3c:Ge-Ni-P,80.0,"Invalid WP multiplicities - A2B5C3_oP80_61_9c_32c_21c:Ge-Ni-P, expected Ni32(Ge3P7)3 to be Ni5Ge2P3" +mp-1223012,LaNi2GeP,-6.159775574,-0.8532534087,0.0,-0.0018960689,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Ge-La-Ni-P,5.0,ABC2D_tI10_107_a_a_b_a:Ge-La-Ni-P +mp-28821,La2Ni12P5,-6.2891767163,-0.6944310898,0.0,-0.0240447565,GGA,P2_1/m,A2B12C5_mP38_11_2e_12e_5e:La-Ni-P,38.0,"Invalid WP multiplicities - A2B12C5_mP38_11_2e_15e_5e:La-Ni-P, expected La2(Ni3P)5 to be La2Ni12P5" +mp-675638,Pr2PbS4,-6.1400251486,-1.8799882846,0.0268165721,0.0268165721,GGA,I-42d,AB2C4_tI28_122_a_d_e:Pb-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Pb-Pr-S +mp-554244,Pr2SnS5,-6.0261823069,-1.7444782195,0.0,-0.0058746975,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Pr-S-Sn,16.0,"Invalid WP multiplicities - A2B5C_oP16_55_h_2a3g2h_c:Pr-S-Sn, expected Pr2SnS12 to be Pr2SnS5" +mp-1210183,Pr2Sn3(PbS4)3,-5.255200541,-1.1369072066,0.0092656123,0.0092656123,GGA,Pmc2_1,A3B2C12D3_oP40_26_3a_2a_5a7b_3b:Pb-Pr-S-Sn,40.0,A3B2C12D3_oP40_26_3a_2a_5a7b_3b:Pb-Pr-S-Sn +mp-22168,Mn(InS2)2,-5.3142009236,-0.8554606065,0.0,-0.0299380845,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:In-Mn-S,14.0,A2BC4_cF56_227_c_b_e:In-Mn-S +mp-1221617,MnIn2(SeS)2,-5.01963215,-0.7439028013,0.0758976306,0.0758976306,GGA,R3m,A2BC2D2_hR21_160_2a_a_2a_2a:In-Mn-S-Se,7.0,A2BC2D2_hR21_160_2a_a_2a_2a:In-Mn-S-Se +mp-1221756,MnIn2(SeS)2,-5.02306013,-0.7473307813000001,0.0724696506,0.0724696506,GGA,R3m,A2BC2D2_hR21_160_2a_a_2a_2a:In-Mn-S-Se,7.0,A2BC2D2_hR21_160_2a_a_2a_2a:In-Mn-S-Se +mp-1222381,Mn4In4(SeS)5,-5.5195447139,-0.7519556688,0.0570220982,0.0570220982,GGA,Cm,A4B4C5D5_mC36_8_4a_4a_5a_5a:In-Mn-S-Se,18.0,A4B4C5D5_mC36_8_4a_4a_5a_5a:In-Mn-S-Se +mp-14002,Ba4GeAs4,-4.4122157881,-0.9749489842,0.0,-0.0464921977,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:As-Ba-Ge,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_2e3i_ei_2ac:As-Ba-Ge, expected Ba16Ge5As44 to be Ba4GeAs4" +mp-8195,Ba2GeAs2,-4.4495788735,-0.8937359645,0.0,-0.0162818787,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:As-Ba-Ge,20.0,"Invalid WP multiplicities - A2B2C_mP20_14_4e_2e_e:As-Ba-Ge, expected Ba2GeAs4 to be Ba2GeAs2" +mp-27810,Ba(GeAs)2,-4.5983096425,-0.5016561505,0.0,-0.0271442834,GGA,P4_2mc,A2BC2_tP20_105_f_ac_2e:As-Ba-Ge,20.0,A2BC2_tP20_105_f_ac_2e:As-Ba-Ge +mp-1213444,GeAs2O9,-5.9360338969,-1.064245308,0.3660904433,0.3660904433,GGA,P2_1/c,A2BC9_mP48_14_2e_e_9e:As-Ge-O,48.0,A2BC9_mP48_14_2e_e_9e:As-Ge-O +mp-1214433,BaGe(AsO4)2,-6.7756747492,-2.1561956412,0.0074944347,0.0074944347,GGA,C2/m,A2BCD8_mC24_12_i_a_c_2ij:As-Ba-Ge-O,12.0,A2BCD8_mC24_12_i_a_d_2ij:As-Ba-Ge-O +mp-768524,Ge2As2O7,-6.6638144264,-1.8282586537,0.0459928019,0.0459928019,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:As-Ge-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:As-Ge-O, expected Ge7As7O27 to be Ge2As2O7" +mp-852714,Ge2As2O7,-3.3149264748,1.5206292978,3.3948807535,3.3948807535,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:As-Ge-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:As-Ge-O, expected Ge7As7O27 to be Ge2As2O7" +mp-573030,Cs2LiNbS4,-5.2889661212,-1.4956121065,0.0,-0.1181168456,GGA,P-1,A2BCD4_aP16_2_2i_i_i_4i:Cs-Li-Nb-S,16.0,"Invalid WP multiplicities - A2BCD4_aP16_2_3i_i_i_7i:Cs-Li-Nb-S, expected Cs3LiNbS7 to be Cs2LiNbS4" +mp-2492941,Li2NbS3,-5.7882348725,-1.4001514768,0.0584836034,0.0584836034,GGA,P-1,A2BC3_aP12_2_bdi_i_3i:Li-Nb-S,12.0,"Invalid WP multiplicities - A2BC3_aP12_2_bdi_i_6i:Li-Nb-S, expected Li2NbS6 to be Li2NbS3" +mp-754779,Li2NbS3,-5.7637488833,-1.3756654877,0.0829695926,0.0829695926,GGA,C2/m,A2BC3_mC24_12_adg_h_ij:Li-Nb-S,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_acg_h_2ij:Li-Nb-S, expected Li2NbS4 to be Li2NbS3" +mp-769050,Li2NbS3,-5.7873302658,-1.3992468702,0.0593882101,0.0593882101,GGA,C2/c,A2BC3_mC48_15_cef_2e_3f:Li-Nb-S,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_2a2e3f_3e_11f:Li-Nb-S, expected Li10Nb3S22 to be Li2NbS3" +mp-767218,Li9(NbS2)14,-6.9105957706000005,-1.5298276798,0.0,-0.0047891743,GGA,P-1,A9B14C28_aP51_2_a4i_7i_14i:Li-Nb-S,51.0,"Invalid WP multiplicities - A9B14C28_aP51_2_a6i_13i_26i:Li-Nb-S, expected Li(NbS2)2 to be Li9(NbS2)14" +mp-769059,Li3NbS4,-5.3835468995,-1.3368127611,0.0616311154,0.0616311154,GGA,Fdd2,A3BC4_oF256_43_2a5b_2b_8b:Li-Nb-S,64.0,"Invalid WP multiplicities - A3BC4_oF256_43_4a18b_5b_29b:Li-Nb-S, expected Li20Nb5S29 to be Li3NbS4" +mp-769038,Li3NbS4,-5.3875946764,-1.340860538,0.0575833385,0.0575833385,GGA,Pbca,A3BC4_oP64_61_3c_c_4c:Li-Nb-S,64.0,"Invalid WP multiplicities - A3BC4_oP64_61_9c_c_13c:Li-Nb-S, expected Li9NbS13 to be Li3NbS4" +mp-769048,Li3NbS4,-5.3669277672,-1.3201936287,0.0782502477,0.0782502477,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Li-Nb-S,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_2c3d_c_5c4d:Li-Nb-S, expected Li8NbS13 to be Li3NbS4" +mp-755309,Li3NbS4,-5.4374283662,-1.3906942278,0.0077496487,0.0077496487,GGA,P-43m,A3BC4_cP8_215_c_b_e:Li-Nb-S,8.0,A3BC4_cP8_215_c_b_e:Li-Nb-S +mp-769032,Li3NbS4,-5.4436288494,-1.3968947109,0.0015491656,0.0015491656,GGA,I-43m,A3BC4_cI64_217_g_c_cg:Li-Nb-S,32.0,"Invalid WP multiplicities - A3BC4_cI64_217_g_c_2c3g:Li-Nb-S, expected Li3NbS11 to be Li3NbS4" +mp-1229211,Cs(NbS2)2,-6.8663863414,-1.4886989243,0.0,-0.1324818307,GGA,Pnnm,AB2C4_oP14_58_a_g_2g:Cs-Nb-S,14.0,"Invalid WP multiplicities - AB2C4_oP14_58_a_g_5g:Cs-Nb-S, expected Cs(NbS5)2 to be Cs(NbS2)2" +mp-1226190,Cs(NbS2)2,-6.6768528886,-1.2991654715,0.1895334529,0.0570516221,GGA,P-3m1,AB2C4_hP7_164_a_c_2d:Cs-Nb-S,7.0,AB2C4_hP7_164_a_c_2d:Cs-Nb-S +mp-754227,Li8NbS6,-4.748902276,-1.4028097977,0.0829057764,0.0829057764,GGA,R-3,A8BC6_hR45_148_cf_a_f:Li-Nb-S,15.0,"Invalid WP multiplicities - A8BC6_hR45_148_c2f_a_f:Li-Nb-S, expected Li14NbS6 to be Li8NbS6" +mp-768347,Li8NbS6,-4.7379580073,-1.391865529,0.093850045,0.093850045,GGA,P6_3cm,A8BC6_hP30_185_b2c_a_abc:Li-Nb-S,30.0,"Invalid WP multiplicities - A8BC6_hP30_185_2b9c_a_a3b3c:Li-Nb-S, expected Li31NbS16 to be Li8NbS6" +mp-1229220,Cs(Nb3S4)2,-7.6951535607,-1.3888314575,0.0,-0.0441374592,GGA,P-3,AB6C8_hP15_147_a_g_dg:Cs-Nb-S,15.0,AB6C8_hP15_147_a_g_dg:Cs-Nb-S +mp-7936,LiNbS2,-6.6257035738,-1.5549216636,0.0,-0.0524057734,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Li-Nb-S,8.0,ABC2_hP8_194_a_b_f:Li-Nb-S +mp-767171,Li5(NbS2)7,-6.8548231942,-1.5408213577,0.0,-0.0055888199,GGA,C2/c,A5B7C14_mC104_15_c2f_e3f_7f:Li-Nb-S,52.0,"Invalid WP multiplicities - A5B7C14_mC104_15_2c5f_2e9f_25f:Li-Nb-S, expected Li6(Nb2S5)5 to be Li5(NbS2)7" +mp-1200810,Cs4Nb2S11,-5.3279706825,-1.2523725587,0.0,-0.0284206123,GGA,Pca2_1,A4B2C11_oP68_29_4a_2a_11a:Cs-Nb-S,68.0,A4B2C11_oP68_29_4a_2a_11a:Cs-Nb-S +mp-769036,Li8Nb2S9,-5.1973903857,-1.3709671322,0.0441070643,0.0441070643,GGA,P-1,A8B2C9_aP76_2_16i_4i_18i:Li-Nb-S,76.0,"Invalid WP multiplicities - A8B2C9_aP76_2_31i_7i_35i:Li-Nb-S, expected Li31(NbS5)7 to be Li8Nb2S9" +mp-768982,Li7NbS6,-4.8248597468,-1.3761122962,0.0674710203,0.0674710203,GGA,Pc,A7BC6_mP28_7_7a_a_6a:Li-Nb-S,28.0,"Invalid WP multiplicities - A7BC6_mP28_7_14a_a_12a:Li-Nb-S, expected Li14NbS12 to be Li7NbS6" +mp-1176851,Li7NbS6,-4.81122683,-1.3624793794,0.0811039371,0.0811039371,GGA,Pc,A7BC6_mP28_7_7a_a_6a:Li-Nb-S,28.0,"Invalid WP multiplicities - A7BC6_mP28_7_14a_a_12a:Li-Nb-S, expected Li14NbS12 to be Li7NbS6" +mp-768990,Li7NbS6,-4.8255557011,-1.3768082505,0.066775066,0.066775066,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Li-Nb-S,56.0,"Invalid WP multiplicities - A7BC6_cP56_198_4a13b_a_9a8b:Li-Nb-S, expected Li43NbS33 to be Li7NbS6" +mp-669313,Cs3Nb2S11,-5.4779593217,-1.2035989635,0.0,-0.0325140354,GGA,P2_1/c,A3B2C11_mP64_14_3e_2e_11e:Cs-Nb-S,64.0,"Invalid WP multiplicities - A3B2C11_mP64_14_10e_4e_42e:Cs-Nb-S, expected Cs5Nb2S21 to be Cs3Nb2S11" +mp-1195802,Sm4(GeS4)3,-5.8856393905,-1.5498064164,0.010663672,0.010663672,GGA,R3c,A3B12C4_hR114_161_b_4b_ab:Ge-S-Sm,38.0,A3B12C4_hR114_161_b_4b_ab:Ge-S-Sm +mp-556979,CsSmGeS4,-5.3899055436,-1.5637889965,0.0,-0.0271373232,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Ge-S-Sm,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_11a_a:Cs-Ge-S-Sm, expected CsSmGeS11 to be CsSmGeS4" +mp-9082,CsSmS2,-5.52860823,-2.0568861698,0.0,-0.1548106997,GGA,R-3m,AB2C_hR12_166_a_c_b:Cs-S-Sm,4.0,AB2C_hR12_166_a_c_b:Cs-S-Sm +mp-1219159,Sm6Ge3S14,-6.1178432604,-1.7660650643,0.0,-0.0053362895,GGA,P3,A3B14C6_hP23_143_abc_ab4d_2d:Ge-S-Sm,23.0,A3B14C6_hP23_143_abc_ab4d_2d:Ge-S-Sm +mp-1041431,ZnCo2(CuO4)2,-5.8176737144,-0.9524196967,0.1661298301,0.1661298301,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Co-Cu-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_5e_6e_26e_e:Co-Cu-O-Zn, expected ZnCo5(Cu3O13)2 to be ZnCo2(CuO4)2" +mp-757299,Co21Cu3O32,-7.0126303214,-1.3007315274,0.0,-0.0256313347,GGA+U,R3m,A21B3C32_hR168_160_9a4b_3a_8a8b:Co-Cu-O,56.0,"Invalid WP multiplicities - A21B3C32_hR168_160_9a10b_3a_8a19b:Co-Cu-O, expected Co39Cu3O65 to be Co21Cu3O32" +mp-757448,Co11CuO16,-7.0348013382,-1.269168417,0.0319265785,0.0319265785,GGA+U,P2/m,A11BC16_mP28_10_bcemno_g_2m2n2o:Co-Cu-O,28.0,"Invalid WP multiplicities - A11BC16_mP28_10_ace2m2n2o_h_4m4n2o:Co-Cu-O, expected Co19CuO24 to be Co11CuO16" +mp-1277660,Co4(CuO4)3,-6.2074901258,-0.9395345613,0.0699532936,0.0699532936,GGA+U,P-1,A4B3C12_aP19_2_aefg_bcd_6i:Co-Cu-O,19.0,"Invalid WP multiplicities - A4B3C12_aP19_2_aefg_bcd_11i:Co-Cu-O, expected Co4Cu3O22 to be Co4(CuO4)3" +mp-1311133,Co4(CuO4)3,-6.2109892974,-0.9430337329,0.066454122,0.066454122,GGA+U,C2/m,A4B3C12_mC38_12_ef_abc_2i2j:Co-Cu-O,19.0,"Invalid WP multiplicities - A4B3C12_mC38_12_2ef_abc_4i5j:Co-Cu-O, expected Co6Cu3O28 to be Co4(CuO4)3" +mp-1652764,Co4(CuO4)3,-6.2068185637,-0.9388629992,0.0706248557,0.0706248557,GGA+U,R-3,A4B3C12_hR57_148_ae_d_2f:Co-Cu-O,19.0,"Invalid WP multiplicities - A4B3C12_hR57_148_ae_d_7f:Co-Cu-O, expected Co4(CuO14)3 to be Co4(CuO4)3" +mp-1043067,Co4(CuO4)3,-6.2179358379,-0.9499802734,0.0595075815,0.0595075815,GGA+U,Im-3,A4B3C12_cI38_204_c_b_g:Co-Cu-O,38.0,A4B3C12_cI38_204_c_b_g:Co-Cu-O +mp-1226484,Co(CuO3)2,-5.4884910189,-0.4899506408,0.3338719608,0.3338719608,GGA+U,Fmmm,AB2C6_oF36_69_a_g_ho:Co-Cu-O,9.0,"Invalid WP multiplicities - AB2C6_oF36_69_a_g_2h2o:Co-Cu-O, expected Co(CuO6)2 to be Co(CuO3)2" +mp-756934,Co(CuO2)4,-5.7047532523,-0.8525490858,0.0385174787,0.0385174787,GGA+U,P-1,AB4C8_aP13_2_a_bcdg_4i:Co-Cu-O,13.0,"Invalid WP multiplicities - AB4C8_aP13_2_a_bcdg_7i:Co-Cu-O, expected Co(Cu2O7)2 to be Co(CuO2)4" +mp-756685,Co(CuO2)4,-5.6900679523,-0.8378637858,0.0532027787,0.0532027787,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Co-Cu-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_b_acf_3i2j:Co-Cu-O, expected Co(Cu2O7)2 to be Co(CuO2)4" +mp-2234126,Co2CuO4,-6.4835675257,-1.0403393679,0.1566915952,0.1566915952,GGA+U,C2/c,A2BC4_mC28_15_ac_e_2f:Co-Cu-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_2a2c_e_7f:Co-Cu-O, expected Co4CuO14 to be Co2CuO4" +mp-761472,Co2CuO4,-6.62111784,-1.1778896821,0.019141281,0.019141281,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Co-Cu-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2e_c_2h2i:Co-Cu-O, expected Co4CuO8 to be Co2CuO4" +mp-39091,Co2CuO4,-6.6199255843,-1.1766974264,0.0203335367,0.0203335367,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Co-Cu-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Co-Cu-O +mp-34146,Co2CuO4,-6.6000780986,-1.1568499407,0.0401810224,0.0401810224,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Cu-O,14.0,A2BC4_cF56_227_c_b_e:Co-Cu-O +mp-758061,Co25Cu11O48,-6.6878612464,-1.2088103371,0.0020473679,0.0020473679,GGA+U,Cm,A25B11C48_mC168_8_5a10b_3a4b_8a20b:Co-Cu-O,84.0,"Invalid WP multiplicities - A25B11C48_mC168_8_5a18b_3a8b_8a37b:Co-Cu-O, expected Co41Cu19O82 to be Co25Cu11O48" +mp-1043134,ZnCo4(CuO4)3,-6.1297960685,-1.0622511018,0.0997712117,0.0997712117,GGA+U,Im-3,A4B3C12D_cI40_204_c_b_g_a:Co-Cu-O-Zn,20.0,A4B3C12D_cI40_204_c_b_g_a:Co-Cu-O-Zn +mp-1275601,Co5CuO8,-6.8661677129,-1.2080030461,0.0719883685,0.0719883685,GGA+U,C2/m,A5BC8_mC56_12_adef2i_i_4i2j:Co-Cu-O,28.0,"Invalid WP multiplicities - A5BC8_mC56_12_ad2e2f4i_i_8i7j:Co-Cu-O, expected Co9CuO22 to be Co5CuO8" +mp-761404,Co5CuO8,-6.9243576132,-1.2661929464,0.0137984681,0.0137984681,GGA+U,R-3m,A5BC8_hR42_166_cd_a_ch:Co-Cu-O,28.0,A5BC8_hR42_166_cd_a_ch:Co-Cu-O +mp-20334,CoCu2O3,-6.010447315,-0.9859811035,0.0713118746,0.0713118746,GGA+U,Pmmn,AB2C3_oP12_59_a_e_be:Co-Cu-O,12.0,AB2C3_oP12_59_a_e_be:Co-Cu-O +mp-1226124,CoCu2O3,-5.7970312867,-0.7725650752000001,0.2847279029,0.2847279029,GGA+U,I4/mmm,AB2C3_tI12_139_a_e_be:Co-Cu-O,6.0,AB2C3_tI12_139_a_e_be:Co-Cu-O +mp-504711,CoCuO2,-6.2620592575,-0.9868337856,0.1273901369,0.1273901369,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Co-Cu-O,4.0,ABC2_hR12_166_a_b_c:Co-Cu-O +mp-753563,Co9Cu3O16,-6.7481633043,-1.197466892,0.0410442969,0.0410442969,GGA+U,R3m,A9B3C16_hR84_160_3a2b_3a_4a4b:Co-Cu-O,28.0,"Invalid WP multiplicities - A9B3C16_hR84_160_3a3b_3a_4a6b:Co-Cu-O, expected Co12Cu3O22 to be Co9Cu3O16" +mp-767737,Co9Cu3O16,-6.77289459,-1.2221981777,0.0163130111,0.0163130111,GGA+U,P-4m2,A9B3C16_tP28_115_ajk_cg_2j2k:Co-Cu-O,28.0,"Invalid WP multiplicities - A9B3C16_oC56_21_a3l_c2k_6l:Co-Cu-O, expected Co13Cu5O24 to be Co9Cu3O16" +mp-703875,Pr3Si2S8Br,-6.0874599032,-1.8133184325,0.0109786561,-0.0109105383,GGA,P1,AB3C8D2_aP28_1_2a_6a_16a_4a:Br-Pr-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_9_a_6a_16a_4a:Br-Pr-S-Si, expected Pr6Si4S16Br to be Pr3Si2S8Br" +mp-560468,Pr3Si2S8Br,-6.0984385593,-1.8242970886,0.0,-0.0218891943,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Br-Pr-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e2f_15f_f:Br-Pr-S-Si, expected Pr6Si2S30Br to be Pr3Si2S8Br" +mp-1209293,PrSBr,-5.8773507383,-2.3872227544,0.0,-0.0239149317,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-Pr-S,12.0,ABC_mP12_14_e_e_e:Br-Pr-S +mp-1209341,PrSBr,-5.870234985,-2.380107001,0.0071157533,-0.0167991783,GGA,Pbca,ABC_oP24_61_c_c_c:Br-Pr-S,24.0,ABC_oP24_61_c_c_c:Br-Pr-S +mp-3733,BeTl2F4,-5.0086545139,-2.7071380813,0.0,-0.0354575891,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-F-Tl,28.0,AB4C2_oP28_62_c_2cd_2c:Be-F-Tl +mp-1214315,Be3Tl2Cd2F12,-5.0539764684,-2.9104474148,0.0020707435,0.0020707435,GGA,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cd-F-Tl,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cd-F-Tl +mp-504450,Be2TlF5,-5.62479618,-3.1999382157,0.0003963331,-0.0171953636,GGA,P2/c,A2B5C_mP32_13_2g_ef4g_ab:Be-F-Tl,32.0,A2B5C_mP32_13_2g_ef4g_ab:Be-F-Tl +mp-27187,Be2TlF5,-5.6251925131,-3.2003345489,0.0,-0.0175916967,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Be-F-Tl,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e2f_c:Be-F-Tl, expected Be2TlF6 to be Be2TlF5" +mp-620069,K3Mo2Cl9,-4.73086292,-1.7551967056,0.0095460614,0.0095460614,GGA,P6_3/m,A9B3C2_hP28_176_hi_af_f:Cl-K-Mo,28.0,"Invalid WP multiplicities - A9B3C2_hP28_176_4h4i_af_f:Cl-K-Mo, expected K3(MoCl18)2 to be K3Mo2Cl9" +mp-1110858,K2AgMoCl6,-4.267295572,-1.5682731753,0.0474565133,0.0474565133,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Mo +mp-27826,K2MoCl6,-4.4794405389,-1.7952552096,0.0,-0.0489290526,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Mo,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Mo +mp-27643,K3MoCl6,-4.4367330557,-1.9099263646,0.0028638447,0.0028638447,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Mo,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Mo +mp-1110883,K3MoCl6,-4.380172512,-1.8533658209,0.0594243885,0.0594243885,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Mo,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Mo +mp-989535,Cs2AlInH6,-3.041665797,-0.1772237396,0.0,-0.0295744191,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-In,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-In +mp-1213693,CsAlH2,-2.62207818,0.234529393,0.3928135392,0.3928135392,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Al-Cs-H,16.0,ABC2_tI32_141_c_d_h:Al-Cs-H +mp-1212430,K2Sb9PbSe15,-4.1953098728,-0.6570458621,0.0120981638,0.0120981638,GGA,P2_1/m,A2BC9D15_mP54_11_2e_e_9e_15e:K-Pb-Sb-Se,54.0,A2BC9D15_mP54_11_2e_e_9e_15e:K-Pb-Sb-Se +mp-20102,Gd(PdO2)2,-8.2834772971,-1.9659571964,0.0,-0.0796160575,GGA,I4_1/a,AB4C2_tI28_88_a_f_d:Gd-O-Pd,14.0,AB4C2_tI28_88_a_f_d:Gd-O-Pd +mp-1213473,Gd4PdO7,-11.3631178875,-3.3538519084,0.0270028136,0.0270028136,GGA,P-1,A4B7C_aP24_2_4i_7i_ab:Gd-O-Pd,24.0,A4B7C_aP24_2_4i_7i_ab:Gd-O-Pd +mp-505438,BaGd2PdO5,-9.6808382144,-3.0158887938,0.0,-0.0011261732,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Gd-O-Pd,18.0,"Invalid WP multiplicities - AB2C5D_tP18_127_b_g_2a3k_c:Ba-Gd-O-Pd, expected BaGd2PdO14 to be BaGd2PdO5" +mp-29304,Y2InCl7,-5.2851607433,-2.4227224856,0.0,-0.0033525209,GGA,Pnma,A7BC2_oP40_62_c3d_c_2c:Cl-In-Y,40.0,"Invalid WP multiplicities - A7BC2_oP40_62_c4d_c_2c:Cl-In-Y, expected Y2InCl9 to be Y2InCl7" +mp-1114045,Rb2YInCl6,-4.448569227,-2.2215249322,0.0412530072,0.0412530072,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-Rb-Y +mp-14495,Li6ZnO4,-4.99144954,-2.0369008441,0.0,-0.0112631309,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-O-Zn,22.0,"Invalid WP multiplicities - A6B4C_tP22_137_2d2f_g_a:Li-O-Zn, expected Li12ZnO4 to be Li6ZnO4" +mp-3297,Li10Zn4O9,-4.9771303757,-1.9924172666,0.0,-0.0053007441,GGA,P4_2/nmc,A10B9C4_tP46_137_dh_afg_g:Li-O-Zn,46.0,"Invalid WP multiplicities - A10B9C4_tP46_137_d2h_a2fg_g:Li-O-Zn, expected Li18Zn4O13 to be Li10Zn4O9" +mp-1235380,LiZn(CoO2)4,-6.3463840593,-1.2624235345,0.2301793422,0.2301793422,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn +mp-1235938,LiZn(CoO2)4,-6.3602811657,-1.276320641,0.2162822358,0.2162822358,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn +mp-1235950,LiZn(CoO2)4,-6.3281231029,-1.2441625781,0.2484402986,0.2484402986,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Li-O-Zn +mp-1235103,LiZn(CoO2)4,-6.2838604936,-1.1998999688,0.2927029079,0.2927029079,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Co-Li-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Co-Li-O-Zn +mp-1235737,LiZn(CoO2)4,-6.2703998314,-1.1864393067,0.3061635701,0.3061635701,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Co-Li-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Co-Li-O-Zn +mp-760408,LiZnO2,-4.9068946412,-1.6413836665,0.079787155,0.079787155,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Zn,8.0,AB2C_tI16_141_a_e_b:Li-O-Zn +mp-754344,LiZnO2,-4.895681015,-1.6301700402,0.0910007812,0.0910007812,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-O-Zn,4.0,AB2C_hR12_166_a_c_b:Li-O-Zn +mp-1097185,LiZn2Co,-1.4793172475,1.4048647229,1.5450525256,1.5450525256,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Li-Zn,4.0,ABC2_oI8_71_a_b_e:Co-Li-Zn +mp-779424,Gd3TaO7,-11.8691546323,-3.8043396024,0.0,-0.0176909427,GGA,P-1,A3B7C_aP22_2_3i_7i_ab:Gd-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_aP22_2_5i_13i_ab:Gd-O-Ta, expected Gd5TaO13 to be Gd3TaO7" +mp-769809,Gd3TaO7,-11.8671136455,-3.8022986156,0.0020409868,-0.0156499559,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Gd-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b3c_a:Gd-O-Ta, expected Gd5TaO12 to be Gd3TaO7" +mp-770748,Gd3TaO7,-11.8617278673,-3.7969128374,0.007426765,-0.0102641777,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Gd-O-Ta,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:Gd-O-Ta, expected Gd7TaO22 to be Gd3TaO7" +mp-779249,Gd3TaO7,-11.8514369086,-3.7866218788,0.0177177236,2.67809e-05,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Gd-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Gd-O-Ta, expected Gd5TaO13 to be Gd3TaO7" +mp-1224653,GdTa4O12,-10.4249529971,-3.315100215,0.0551322167,0.0551322167,GGA,Amm2,AB12C4_oC34_38_a_2cdef_f:Gd-O-Ta,17.0,AB12C4_oC34_38_a_2cdef_f:Gd-O-Ta +mp-770124,GdTa7O19,-10.4949171506,-3.4183374778,0.0011810087,0.0011810087,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Gd-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh6k10l_c2l:Gd-O-Ta, expected GdTa13O82 to be GdTa7O19" +mp-4875,GdTaO4,-11.3154856883,-3.6953765692,0.0,-0.051043054,GGA,P2/c,AB4C_mP12_13_e_2g_f:Gd-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Gd-O-Ta +mp-5575,GdTaO4,-11.3097033058,-3.6895941867,0.0057823825,-0.0452606715,GGA,C2/c,AB4C_mC24_15_e_2f_e:Gd-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Gd-O-Ta +mp-1206027,Eu2GdTaO6,-11.040027092,-3.4272235182,0.0881816187,0.0881816187,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Gd-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Gd-O-Ta +mp-1225201,GdTa3O9,-10.7163833971,-3.4725638947,0.0363798544,0.0310163804,GGA,P-1,AB9C3_aP52_2_2i_18i_6i:Gd-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_3i_33i_11i:Gd-O-Ta, expected Gd3Ta11O33 to be GdTa3O9" +mp-770998,GdTa3O9,-10.7527632515,-3.5089437491,0.0,-0.005363474,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:Gd-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_5e6f_af:Gd-O-Ta, expected GdTa3O17 to be GdTa3O9" +mp-769649,GdTa3O9,-10.7252810681,-3.4814615657,0.0274821835,0.0221187095,GGA,C2/m,AB9C3_mC52_12_i_3i3j_ej:Gd-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mC52_12_i_5i6j_2ej:Gd-O-Ta, expected GdTa4O17 to be GdTa3O9" +mp-770430,GdTa3O9,-10.7291727077,-3.4853532053,0.0235905438,0.0182270699,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:Gd-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_12c9d_2a2d:Gd-O-Ta, expected GdTa6O30 to be GdTa3O9" +mp-1206067,NdClO2,-6.6290633687,-2.50154799,0.1738126971,0.1738126971,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-Nd-O,8.0,ABC2_mP8_11_e_e_2e:Cl-Nd-O +mp-1207262,Nd2Cl2O,-5.251597994,-1.6155866148,1.2001733737,1.2001733737,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Nd-O,5.0,A2B2C_tP5_123_g_g_a:Cl-Nd-O +mp-558340,Nd5As2ClO10,-7.923014375,-3.2299922781,0.0,-0.038191047,GGA,C2/m,A2BC5D10_mC36_12_i_a_c2i_i2j:As-Cl-Nd-O,18.0,"Invalid WP multiplicities - A2BC5D10_mC36_12_i_a_c4i_i6j:As-Cl-Nd-O, expected Nd9As2ClO26 to be Nd5As2ClO10" +mp-556908,Nd5As4(ClO4)3,-7.3423694406,-2.8680742199,0.0,-0.0310902812,GGA,P2/c,A4B3C5D12_mP48_13_2g_eg_f2g_6g:As-Cl-Nd-O,48.0,"Invalid WP multiplicities - A4B3C5D12_mP48_13_5g_e2g_2f7g_20g:As-Cl-Nd-O, expected Nd16As10(ClO8)5 to be Nd5As4(ClO4)3" +mp-1210729,Nd(ClO)3,-4.5939772404,-1.0005738766,0.7403975627,0.7403975627,GGA,Pnma,A3BC3_oP28_62_cd_c_cd:Cl-Nd-O,28.0,A3BC3_oP28_62_cd_c_cd:Cl-Nd-O +mp-31067,Nd(ClO4)3,-5.3403688784,-0.9857425067,0.0,-0.1373426244,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Nd-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_2h2i:Cl-Nd-O, expected Nd(ClO6)3 to be Nd(ClO4)3" +mp-669495,Nd14Cl32O,-5.2913833209,-2.5072572382,0.1309668877,0.1309668877,GGA,R-3,A32B14C_hR141_148_c5f_c2f_a:Cl-Nd-O,47.0,A32B14C_hR141_148_c5f_c2f_a:Cl-Nd-O +mp-1188760,Nd(ClO2)3,-4.8129736755,-0.8135847075,0.5245979677,0.5245979677,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Nd-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Nd-O +mp-23058,NdClO,-7.32608276,-3.4716251588,0.0,-0.1490332714,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Nd-O,6.0,ABC_tP6_129_c_c_a:Cl-Nd-O +mp-3317,SmRhO3,-7.914245706,-2.5296536782,0.0,-0.0493844406,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Sm,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Sm +mp-17829,Sr3SmRhO6,-7.1385368691,-2.8811271752,0.0,-0.020694792,GGA,R-3c,A6BCD3_hR66_167_f_b_a_e:O-Rh-Sm-Sr,22.0,A6BCD3_hR66_167_f_b_a_e:O-Rh-Sm-Sr +mp-754414,SrSm2O4,-8.0285364804,-3.612333542,0.0260997727,0.0260997727,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Sm-Sr,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_13c_5c_c:O-Sm-Sr, expected SrSm5O13 to be SrSm2O4" +mp-755420,SrSm2O4,-8.0040869179,-3.5878839795,0.0505493352,0.0505493352,GGA,Cmcm,A4B2C_oC28_63_acf_f_c:O-Sm-Sr,14.0,"Invalid WP multiplicities - A4B2C_oC28_63_a2c2f_f_c:O-Sm-Sr, expected SrSm2O7 to be SrSm2O4" +mp-754942,SrSm2O4,-8.0345296271,-3.6183266888,0.0201066259,0.0201066259,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Sm-Sr,14.0,A4B2C_cF56_227_e_c_b:O-Sm-Sr +mp-1195711,Sb2XeF16,-3.9876482587,-1.9414461466,0.0,-0.0062396559,GGA,P-1,A16B2C_aP38_2_16i_2i_i:F-Sb-Xe,38.0,A16B2C_aP38_2_16i_2i_i:F-Sb-Xe +mp-1195644,Sb5(XeF20)2,-3.9542577691,-1.8866723811,0.0307194803,0.0307194803,GGA,P-1,A40B5C2_aP47_2_20i_a2i_i:F-Sb-Xe,47.0,A40B5C2_aP47_2_20i_a2i_i:F-Sb-Xe +mp-1232290,Cu3SbF12,-4.5115527631,-2.0512797094,0.0,-0.0447356424,GGA,Im-3m,A3B12C_cI32_229_b_de_a:Cu-F-Sb,16.0,"Invalid WP multiplicities - A3B12C_cI32_229_b_2de_a:Cu-F-Sb, expected Cu3SbF18 to be Cu3SbF12" +mp-694243,Sb2XeF14,-1.22944704,0.8326048538,2.9134920035,2.9134920035,GGA,P-1,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe,34.0,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe +mp-27290,Sb2XeF14,-4.1404155868,-2.0783636929,0.0025234568,0.0025234568,GGA,P-1,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe,34.0,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe +mp-1390662,Sb2XeF14,-2.7410634353,-0.6790115415,1.4018756082,1.4018756082,GGA,P-1,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe,34.0,A14B2C_aP34_2_14i_2i_i:F-Sb-Xe +mp-1195229,SbXeF11,-3.5775773262,-1.6397739375,0.0,-0.0068229506,GGA,Pnma,A11BC_oP52_62_5c3d_c_c:F-Sb-Xe,52.0,A11BC_oP52_62_5c3d_c_c:F-Sb-Xe +mp-1193829,Sb2XeF12,-4.3396407043,-2.2575124203,0.0,-0.008792354,GGA,P2_1,A12B2C_mP30_4_12a_2a_a:F-Sb-Xe,30.0,A12B2C_mP30_4_12a_2a_a:F-Sb-Xe +mp-1196390,CuSb3XeF23,-4.245195201,-2.0849666005,0.0,-0.0179376439,GGA,P2_1/c,AB23C3D_mP112_14_ad_23e_3e_e:Cu-F-Sb-Xe,112.0,AB23C3D_mP112_14_ad_23e_3e_e:Cu-F-Sb-Xe +mp-29904,SbXe2F9,-3.5068854238,-1.7231637331,0.0,-0.004070571,GGA,Cc,A9BC2_mC48_9_9a_a_2a:F-Sb-Xe,24.0,A9BC2_mC48_9_9a_a_2a:F-Sb-Xe +mp-1196261,Sb4Xe2F19,-4.4112570464,-2.2949988991,0.091454093,0.091454093,GGA,P2_1/c,A19B4C2_mP50_14_a9e_2e_e:F-Sb-Xe,50.0,A19B4C2_mP50_14_a9e_2e_e:F-Sb-Xe +mp-560231,CuSb2(XeF4)6,-3.3433911515,-1.5721866245,0.0008920052,0.0008920052,GGA,R-3,AB24C2D6_hR99_148_a_4f_c_f:Cu-F-Sb-Xe,33.0,"Invalid WP multiplicities - AB24C2D6_hR99_148_a_19f_c_f:Cu-F-Sb-Xe, expected CuSb2(XeF19)6 to be CuSb2(XeF4)6" +mp-1203999,Sb2XeF13,-4.2063684934,-2.1349057917,0.0287744536,0.0287744536,GGA,P-1,A13B2C_aP32_2_13i_2i_i:F-Sb-Xe,32.0,A13B2C_aP32_2_13i_2i_i:F-Sb-Xe +mp-554497,CuSb2(XeF5)4,-3.6275082144,-1.7485643189000002,0.0,-0.0084352461,GGA,I-4,AB20C2D4_tI54_82_a_ef4g_bc_g:Cu-F-Sb-Xe,27.0,"Invalid WP multiplicities - AB20C2D4_tI54_82_a_2e2f15g_bc_g:Cu-F-Sb-Xe, expected CuSb2(XeF17)4 to be CuSb2(XeF5)4" +mp-1199352,SbXeF7,-3.9804963381,-2.0309932067,0.0,-0.0109690918,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sb-Xe,36.0,A7BC_mP36_14_7e_e_e:F-Sb-Xe +mp-27238,SbXeF9,-3.7437954982,-1.8012058511,0.0020967309,0.0020967309,GGA,P2_1/c,A9BC_mP44_14_9e_e_e:F-Sb-Xe,44.0,A9BC_mP44_14_9e_e_e:F-Sb-Xe +mp-1195732,Sb2XeF15,-4.0383082231,-1.9846214918,0.0226717951,0.0226717951,GGA,C2/c,A15B2C_mC72_15_c7f_f_e:F-Sb-Xe,36.0,A15B2C_mC72_15_a7f_f_e:F-Sb-Xe +mp-606617,CuSb2(XeF8)2,-4.0522872519,-2.0040386343,0.0,-0.0041959198,GGA,P2_1/c,AB16C2D2_mP42_14_a_8e_e_e:Cu-F-Sb-Xe,42.0,"Invalid WP multiplicities - AB16C2D2_mP42_14_a_31e_e_e:Cu-F-Sb-Xe, expected CuSb2(XeF31)2 to be CuSb2(XeF8)2" +mp-1066006,VFeCoAs,-7.429997775,-0.099656905,0.2213698381,0.2213698381,GGA,F-43m,ABCD_cF16_216_a_c_d_b:As-Co-Fe-V,4.0,ABCD_cF16_216_a_c_d_b:As-Co-Fe-V +mp-1216338,VFeAs2,-7.0400778825,-0.32203686,0.0286683981,0.0286683981,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Fe-V,8.0,A2BC_oP8_26_ab_a_b:As-Fe-V +mp-1207799,VCoAs,-7.3784830808,-0.4280356575,0.0,-0.0713875549,GGA,Pnma,ABC_oP12_62_c_c_c:As-Co-V,12.0,ABC_oP12_62_c_c_c:As-Co-V +mp-752599,La8Ni4O17,-8.0291615097,-2.9704611079000003,0.0544755762,0.0544755762,GGA+U,P1,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O,29.0,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O +mp-881290,La8Ni4O17,-6.5708628462,-1.5121624444,1.5127742396,1.5127742396,GGA+U,P1,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O,29.0,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O +mp-1373346,La8Ni4O17,-6.2477514066,-1.1890510048,1.8358856793,1.8358856793,GGA+U,P1,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O,29.0,A8B4C17_aP29_1_8a_4a_17a:La-Ni-O +mp-556203,La8Ni4O17,-8.0322918117,-2.97359141,0.0513452741,0.0513452741,GGA+U,C2,A8B4C17_mC58_5_4c_2ac_b8c:La-Ni-O,29.0,"Invalid WP multiplicities - A8B4C17_mC58_5_7c_2ac_b15c:La-Ni-O, expected La14Ni4O31 to be La8Ni4O17" +mp-1223566,La9Ni6O19,-7.8688610691,-2.7779207886,0.1806477863,0.1806477863,GGA+U,C2/m,A9B6C19_mC68_12_a4i_3i_b3i3j:La-Ni-O,34.0,"Invalid WP multiplicities - A9B6C19_mC68_12_a7i_6i_b6i11j:La-Ni-O, expected La5Ni4O19 to be La9Ni6O19" +mp-1093985,La2NiIr,-4.4707375775,1.65190869,2.2123791431,2.2123791431,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-La-Ni,4.0,AB2C_oI8_71_a_e_b:Ir-La-Ni +mp-551749,La3(NiO3)2,-7.8677372264,-2.7724256861,0.2019345761,0.2019345761,GGA+U,I4/mmm,A3B2C6_tI22_139_ae_e_dg:La-Ni-O,11.0,"Invalid WP multiplicities - A3B2C6_tI22_139_a2e_e_dg:La-Ni-O, expected La5(NiO3)2 to be La3(NiO3)2" +mp-554186,La2Ni2O5,-7.6226400353,-2.4931143546,0.2012654399,0.2012654399,GGA+U,P2_1/c,A2B2C5_mP36_14_2e_abcd_5e:La-Ni-O,36.0,A2B2C5_mP36_14_2e_abcd_5e:La-Ni-O +mp-19073,La2Ni2O5,-7.6722506944,-2.5427250138,0.1516547807,0.1516547807,GGA+U,C2/c,A2B2C5_mC36_15_f_ab_e2f:La-Ni-O,18.0,A2B2C5_mC36_15_f_cd_e2f:La-Ni-O +mp-1076121,La2Ni2O5,-7.7330255661,-2.6034998854,0.090879909,0.090879909,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:La-Ni-O,18.0,"Invalid WP multiplicities - A2B2C5_oI36_46_c_2a2b_b2c:La-Ni-O, expected La2Ni4O5 to be La2Ni2O5" +mp-510747,La4NiO8,-8.1067303092,-3.0992168638,0.0872553688,0.0872553688,GGA+U,Cmmm,A4BC8_oC26_65_gh_a_ghn:La-Ni-O,13.0,"Invalid WP multiplicities - A4BC8_oC26_65_gh_a_gh2n:La-Ni-O, expected La4NiO12 to be La4NiO8" +mp-757549,La9Ni5O19,-8.0047934294,-2.9347378882,0.0837542786,0.0837542786,GGA+U,Fmm2,A9B5C19_oF132_42_a4c_a2c_ab4c2e:La-Ni-O,33.0,"Invalid WP multiplicities - A9B5C19_oF132_42_a8c_a3c_a2b7c8e:La-Ni-O, expected La17Ni7O51 to be La9Ni5O19" +mp-18926,La3Ni2O7,-7.9073798892,-2.8244535847,0.0234060601,0.0234060601,GGA+U,Cmcm,A3B2C7_oC48_63_cg_g_c2eg:La-Ni-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_63_cg_g_c2e2g:La-Ni-O, expected La3Ni2O9 to be La3Ni2O7" +mp-690517,La2NiO4,-7.9844359979,-2.9217351786,0.1942612866,0.1942612866,GGA+U,Cmc2_1,A2BC4_oC28_36_2a_a_4a:La-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_36_2a_a_8a:La-Ni-O, expected La2NiO8 to be La2NiO4" +mp-20143,La2NiO4,-8.1298804743,-3.067179655,0.0488168102,0.0488168102,GGA+U,Cmce,A2BC4_oC28_64_f_a_ef:La-Ni-O,14.0,A2BC4_oC28_64_f_a_ef:La-Ni-O +mp-21874,La2NiO4,-8.1318205236,-3.0691197043,0.0468767609,0.0468767609,GGA+U,P4_2/ncm,A2BC4_tP28_138_i_c_aei:La-Ni-O,28.0,A2BC4_tP28_138_i_c_aei:La-Ni-O +mp-21326,La2NiO4,-8.1026598271,-3.0399590079,0.0760374573,0.0760374573,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:La-Ni-O,7.0,A2BC4_tI14_139_e_a_ce:La-Ni-O +mp-675339,La18Ni12O41,-7.4362625069,-2.3514173631,0.5298591385,0.5298591385,GGA+U,P1,A18B12C41_aP71_1_18a_12a_41a:La-Ni-O,71.0,A18B12C41_aP71_1_18a_12a_41a:La-Ni-O +mp-867986,La18Ni12O41,-7.9091425058,-2.8242973620000003,0.0569791396,0.0569791396,GGA+U,Cm,A18B12C41_mC142_8_6a6b_6b_5a18b:La-Ni-O,71.0,"Invalid WP multiplicities - A18B12C41_mC142_8_6a12b_12b_5a36b:La-Ni-O, expected La30Ni24O77 to be La18Ni12O41" +mp-37843,La12Ni6O25,-8.0652954242,-3.0052925609,0.0492914938,0.0492914938,GGA+U,P1,A12B6C25_aP43_1_12a_6a_25a:La-Ni-O,43.0,"Invalid WP multiplicities - A12B6C25_mC86_5_12c_6c_6a7b12c:La-Ni-O, expected La24Ni12O37 to be La12Ni6O25" +mp-759094,La24Ni12O49,-8.0944851264,-3.0331491554,0.051779855,0.051779855,GGA+U,P1,A24B12C49_aP85_1_24a_12a_49a:La-Ni-O,85.0,A24B12C49_aP85_1_24a_12a_49a:La-Ni-O +mp-20392,LaNiO2,-7.5179144225,-2.3655341206,0.3609627864,0.3609627864,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:La-Ni-O,4.0,ABC2_tP4_123_a_d_e:La-Ni-O +mp-558316,La4Ni3O10,-7.8089795509,-2.7177251054,0.0197252604,0.0197252604,GGA+U,Cmce,A4B3C10_oC68_64_2f_af_3e2f:La-Ni-O,34.0,A4B3C10_oC68_64_2f_af_3e2f:La-Ni-O +mp-19298,La4Ni3O10,-7.7939423294,-2.702687884,0.0347624818,0.0347624818,GGA+U,I4/mmm,A4B3C10_tI34_139_2e_ae_c2eg:La-Ni-O,17.0,"Invalid WP multiplicities - A4B3C10_tI34_139_2e_ae_2c3eg:La-Ni-O, expected La4Ni3O14 to be La4Ni3O10" +mp-1284950,LaNiO3,-7.5638215065,-2.4525795227,0.0198885735,-0.0203075221,GGA+U,P-1,ABC3_aP10_2_i_be_3i:La-Ni-O,20.0,"Invalid WP multiplicities - ABC3_aP10_2_i_2b2e_6i:La-Ni-O, expected La(NiO3)2 to be LaNiO3" +mp-19339,LaNiO3,-7.58371008,-2.4724680963,0.0,-0.0401960956,GGA+U,R-3c,ABC3_hR30_167_a_b_e:La-Ni-O,10.0,ABC3_hR30_167_a_b_e:La-Ni-O +mp-1278441,LaNiO3,-7.540139836,-2.4288978523,0.043570244,0.0033741484,GGA+U,Cmmm,ABC3_oC40_65_eh_abj_fg2n:La-Ni-O,20.0,"Invalid WP multiplicities - ABC3_oC40_65_2e2h_ab2j_2f2g5n:La-Ni-O, expected La4Ni3O14 to be LaNiO3" +mp-1075921,LaNiO3,-7.548532024,-2.4372900402,0.035178056,-0.0050180396,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:La-Ni-O,5.0,ABC3_cP5_221_a_b_c:La-Ni-O +mp-20964,La2NiIrO6,-7.9818919785,-2.5648202447,0.0047646269,0.0047646269,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-La-Ni-O,40.0,AB2CD6_mP20_14_a_e_b_3e:Ir-La-Ni-O +mp-1178158,La15(NiO4)8,-8.0253822916,-2.9603779503,0.0491025968,0.0491025968,GGA+U,Cm,A15B8C32_mC110_8_7a4b_4a2b_8a12b:La-Ni-O,55.0,"Invalid WP multiplicities - A15B8C32_mC110_8_7a8b_4a4b_8a24b:La-Ni-O, expected La23(Ni3O14)4 to be La15(NiO4)8" +mp-557939,La4Ni3O8,-7.7878998847,-2.677370008,0.2308933595,0.2308933595,GGA+U,I4/mmm,A4B3C8_tI30_139_2e_ae_cdg:La-Ni-O,15.0,"Invalid WP multiplicities - A4B3C8_tI30_139_2e_ae_2c2d3g:La-Ni-O, expected La4Ni3O20 to be La4Ni3O8" +mp-1178319,La24Ni16O55,-7.8700021172,-2.7856417328000003,0.0871926155,0.0871926155,GGA+U,C2/m,A24B16C55_mC190_12_acgh3i3j_gh3j_bgh3i11j:La-Ni-O,95.0,"Invalid WP multiplicities - A24B16C55_mC190_12_bc2gh6i10j_gh7j_agh6i37j:La-Ni-O, expected La60Ni32O165 to be La24Ni16O55" +mp-867595,La16Ni8O33,-8.0822071174,-3.0215415982,0.0481262064,0.0481262064,GGA+U,I-4,A16B8C33_tI114_82_4g_2g_a2e2f6g:La-Ni-O,57.0,"Invalid WP multiplicities - A16B8C33_tI114_82_13g_6g_a3e3f20g:La-Ni-O, expected La52(Ni8O31)3 to be La16Ni8O33" +mp-754526,TmBrO,-7.0399397733,-3.3814222851,0.01025818,-0.0874847553,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-O-Tm,6.0,ABC_oP6_59_a_a_b:Br-O-Tm +mp-754969,TmBrO,-7.0501979533,-3.3916804651,0.0,-0.0977429353,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Tm,6.0,ABC_tP6_129_c_a_c:Br-O-Tm +mp-546350,TmBi2BrO4,-6.6399616987,-2.4528870915,0.0,-0.0412850042,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Tm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Tm +mp-755216,TmBiO3,-7.455337051,-2.8240589136,0.0538467693,0.0538467693,GGA,R-3,AB3C_hR30_148_c_f_c:Bi-O-Tm,10.0,AB3C_hR30_148_c_f_c:Bi-O-Tm +mp-754323,TmBiO3,-7.47916348,-2.8478853426,0.0300203403,0.0300203403,GGA,R3c,AB3C_hR30_161_a_b_a:Bi-O-Tm,10.0,AB3C_hR30_161_a_b_a:Bi-O-Tm +mp-5548,Ta2Cd2O7,-8.1621420632,-2.6904915397,0.0,-0.0290589789,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Ta,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_a2f_d:Cd-O-Ta, expected Ta2Cd2O13 to be Ta2Cd2O7" +mp-1208442,Ta2CdO6,-8.9848488931,-2.9494514167,0.0,-0.0077418536,GGA,Pbcn,AB6C2_oP36_60_c_3d_d:Cd-O-Ta,36.0,AB6C2_oP36_60_c_3d_d:Cd-O-Ta +mp-554669,Ba3Ta2CdO9,-8.1657792847,-3.1714080686,0.0,-0.0333732964,GGA,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Cd-O-Ta,15.0,"Invalid WP multiplicities - A3BC9D2_hP15_164_a2d_b_2e2i_d:Ba-Cd-O-Ta, expected Ba5Ta2CdO18 to be Ba3Ta2CdO9" +mp-998420,KCrCl3,-4.992647328,-1.7308360486,0.022692162,0.022692162,GGA,P4mm,A3BC_tP5_99_ac_a_b:Cl-Cr-K,5.0,A3BC_cP5_221_c_b_a:Cl-Cr-K +mp-1206266,K2NaCrCl6,-4.392881088,-1.9641220263,0.0,-0.0003139402,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-K-Na +mp-1209720,Pr4MgIr,-5.2746857813,-0.3476295729,0.0,-0.0260493058,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ir-Mg-Pr,24.0,ABC4_cF96_216_e_e_efg:Ir-Mg-Pr +mp-1188397,Pr2MgIrO6,-7.8403252585,-2.8722594578,0.0,-0.0031898928,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Mg-O-Pr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ir-Mg-O-Pr +mp-558448,Pr2Ir2O7,-8.0319482559,-2.4078118151,0.0,-0.0214712369,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ir-O-Pr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Ir-O-Pr, expected PrIrO10 to be Pr2Ir2O7" +mp-5322,Pr3IrO7,-8.2292068655,-2.9739366451,0.0,-0.0705810782,GGA,Cmcm,AB7C3_oC44_63_a_cgh_bg:Ir-O-Pr,22.0,AB7C3_oC44_63_a_cgh_bg:Ir-O-Pr +mp-28318,HgTeO3,-4.8286328275,-1.1712223491,0.0139940594,0.0139940594,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Hg-O-Te,20.0,AB3C_aP20_2_2i_6i_2i:Hg-O-Te +mp-558456,Hg3Se4O5,-4.127201285,-0.8248570715,0.0485298871,0.0485298871,GGA,P-1,A3B5C4_aP24_2_3i_5i_4i:Hg-O-Se,24.0,A3B5C4_aP24_2_6i_10i_8i:Hg-O-Se +mp-29510,Hg2TeO3,-4.0777011308,-0.9792456713,0.0084346691,0.0084346691,GGA,Pma2,A2B3C_oP12_28_d_cd_c:Hg-O-Te,12.0,A2B3C_oP12_28_d_cd_c:Hg-O-Te +mp-18321,Hg2Te2O7,-4.9446321907,-1.1700146002,0.0237273509,0.0237273509,GGA,C2/c,A2B7C2_mC88_15_cd2e_7f_abf:Hg-O-Te,44.0,A2B7C2_mC88_15_cd2e_7f_abf:Hg-O-Te +mp-560456,Hg2Te2O7,-4.9489872322,-1.1743696417,0.0193723094,0.0193723094,GGA,Aea2,A2B7C2_oC176_41_2a3b_2a13b_4b:Hg-O-Te,88.0,"Invalid WP multiplicities - A2B7C2_oC176_41_3a9b_4a47b_14b:Hg-O-Te, expected Hg3(Te2O7)2 to be Hg2Te2O7" +mp-676169,Hg3SeO6,-3.7371794943,-0.3284710103,0.550244513,0.5365504097,GGA,P1,A3B6C_aP30_1_9a_18a_3a:Hg-O-Se,30.0,A3B6C_aP30_1_9a_18a_3a:Hg-O-Se +mp-754598,Hg3SeO6,-4.2874240073,-0.8787155233,0.0,-0.0136941033,GGA,P3_1,A3B6C_hP30_144_3a_6a_a:Hg-O-Se,30.0,"Invalid WP multiplicities - A3B6C_hP30_144_6a_16a_a:Hg-O-Se, expected Hg6SeO16 to be Hg3SeO6" +mp-7462,Hg2SeO4,-4.3303799879,-0.9175189803,0.0159925259,0.0159925259,GGA,P2/c,A2B4C_mP14_13_g_2g_e:Hg-O-Se,14.0,A2B4C_mP14_13_g_2g_e:Hg-O-Se +mp-3538,Hg3TeO6,-4.397884982,-1.0244370564,0.0,-0.0505125593,GGA,Ia-3,A3B6C_cI160_206_e_2e_ab:Hg-O-Te,80.0,"Invalid WP multiplicities - A3B6C_cI160_206_e_5e_ab:Hg-O-Te, expected Hg3TeO15 to be Hg3TeO6" +mp-557953,Hg3TeO6,-4.3343816071,-0.9609336815,0.0635033749,0.0129908156,GGA,Ia-3d,A3B6C_cI160_230_g_h_a:Hg-O-Te,80.0,A3B6C_cI160_230_g_h_a:Hg-O-Te +mp-779690,Hg(TeO3)2,-5.2251090942,-1.1950619365,0.0861935996,0.0861935996,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Hg-O-Te,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_19e_3e:Hg-O-Te, expected HgTe3O19 to be Hg(TeO3)2" +mp-565679,Hg4Se4O9,-4.4681626724,-0.9553058622,0.022905155,0.022905155,GGA,P2_1/c,A4B9C4_mP68_14_4e_9e_4e:Hg-O-Se,68.0,"Invalid WP multiplicities - A4B9C4_mP68_14_13e_34e_11e:Hg-O-Se, expected Hg13Se11O34 to be Hg4Se4O9" +mp-30286,Hg2SeO3,-4.0793454896,-0.9221224327,0.0058584204,-0.0473388863,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Hg-O-Se,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2e_4e_e:Hg-O-Se, expected Hg2SeO4 to be Hg2SeO3" +mp-555918,Hg2SeO3,-4.0792528062,-0.9220297493,0.0059511038,-0.0472462029,GGA,Cmc2_1,A2B3C_oC48_36_2b_3b_b:Hg-O-Se,24.0,"Invalid WP multiplicities - A2B3C_oC48_36_5b_8b_b:Hg-O-Se, expected Hg5SeO8 to be Hg2SeO3" +mp-557637,Hg2SeO3,-4.08520391,-0.9279808531,0.0,-0.0531973067,GGA,Ibam,A2B3C_oI48_72_k_jk_j:Hg-O-Se,24.0,"Invalid WP multiplicities - A2B3C_oI48_72_k_3j4k_j:Hg-O-Se, expected Hg2SeO11 to be Hg2SeO3" +mp-1201118,Hg3(SeO3)4,-4.8536721261,-0.9455167818,0.0952421497,0.0952421497,GGA,P2_1/c,A3B12C4_mP38_14_ae_6e_2e:Hg-O-Se,38.0,A3B12C4_mP38_14_ae_6e_2e:Hg-O-Se +mp-1194553,Hg5(SeO4)2,-4.0879983265,-0.8824160285,0.0098569555,0.0098569555,GGA,C2/c,A5B8C2_mC120_15_5f_8f_2f:Hg-O-Se,60.0,A5B8C2_mC120_15_5f_8f_2f:Hg-O-Se +mp-10796,HgSeO4,-4.8978490808,-0.9667912996,0.0,-0.0540216931,GGA,Pmn2_1,AB4C_oP12_31_a_2ab_a:Hg-O-Se,12.0,AB4C_oP12_31_a_2ab_a:Hg-O-Se +mp-5363,Hg2TeO5,-4.6182470275,-1.0577332551,0.0197368527,0.0197368527,GGA,Pna2_1,A2B5C_oP32_33_2a_5a_a:Hg-O-Te,32.0,A2B5C_oP32_33_2a_5a_a:Hg-O-Te +mp-30123,Hg2SeO5,-4.5261938791,-0.9216044086,0.0,-0.0098604692,GGA,P2_1/c,A2B5C_mP64_14_4e_10e_2e:Hg-O-Se,64.0,"Invalid WP multiplicities - A2B5C_mP64_14_4e_13e_2e:Hg-O-Se, expected Hg4Se2O13 to be Hg2SeO5" +mp-1223932,Hg2TeSe,-2.2041941925,-0.3925496673,0.018051255,0.018051255,GGA,R3m,A2BC_hR12_160_2a_a_a:Hg-Se-Te,4.0,A2BC_hR12_160_2a_a_a:Hg-Se-Te +mp-1223922,Hg2TeSe,-2.0619768825,-0.2503323573,0.160268565,0.160268565,GGA,R-3m,A2BC_hR12_166_c_a_b:Hg-Se-Te,4.0,A2BC_hR12_166_c_a_b:Hg-Se-Te +mp-557224,HgSeO3,-4.777671851,-1.0497402557,0.0,-0.036048063,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Hg-O-Se,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Hg-O-Se, expected HgSeO9 to be HgSeO3" +mp-10798,HgSeO3,-4.7706737665,-1.0427421712,0.0069980845,-0.0290499785,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Hg-O-Se,20.0,AB3C_mP20_14_e_3e_e:Hg-O-Se +mp-9228,HgSeO3,-4.7746436995,-1.0467121042,0.0030281515,-0.0330199115,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hg-O-Se,20.0,AB3C_oP20_62_a_cd_c:Hg-O-Se +mp-1204483,Hg2Se2O7,-4.5911818452,-0.7524541485,0.2525545873,0.2525545873,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Hg-O-Se,44.0,A2B7C2_mP44_14_2e_7e_2e:Hg-O-Se +mp-1194584,Hg3Te2SeO10,-4.873323535,-1.113295318,0.0354461033,0.0354461033,GGA,P2_1,A3B10CD2_mP32_4_3a_10a_a_2a:Hg-O-Se-Te,32.0,A3B10CD2_mP32_4_3a_10a_a_2a:Hg-O-Se-Te +mp-1195762,Hg12Se6O25,-4.3053946456,-0.8568632263,0.0774199989,0.0774199989,GGA,R-3,A12B25C6_hR129_148_2f_a4f_f:Hg-O-Se,43.0,A12B25C6_hR129_148_2f_a4f_f:Hg-O-Se +mp-29320,Te3SeO8,-5.7879559688,-1.4130110648,0.0094296648,0.0094296648,GGA,P-1,A8BC3_aP24_2_8i_i_3i:O-Se-Te,24.0,A8BC3_aP24_2_8i_i_3i:O-Se-Te +mp-542115,Hg3Se3O10,-4.8234441894,-1.0193402743,0.0,-0.0007058772,GGA,P2_1,A3B10C3_mP32_4_3a_10a_3a:Hg-O-Se,32.0,A3B10C3_mP32_4_3a_10a_3a:Hg-O-Se +mp-29299,TeSeO4,-5.7518298758,-1.3475011732,0.0018294408,-0.02049654,GGA,Cc,A4BC_mC24_9_4a_a_a:O-Se-Te,12.0,"Invalid WP multiplicities - A4BC_mC24_9_8a_a_a:O-Se-Te, expected TeSeO8 to be TeSeO4" +mp-1539101,TeSeO4,-5.7536593167,-1.349330614,0.0,-0.0223259808,GGA,Ima2,A4BC_oI24_46_2bc_b_b:O-Se-Te,12.0,"Invalid WP multiplicities - A4BC_oI24_46_4b4c_b_b:O-Se-Te, expected TeSeO12 to be TeSeO4" +mp-1191975,Sn2Pb2O7,-6.2853654714000005,-1.7334328506,0.0545401198,0.0545401198,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pb-Sn,22.0,A7B2C2_cF88_227_af_c_d:O-Pb-Sn +mp-17743,Sr3Sn2O7,-6.6984514379,-2.7222476839,0.0028713535,0.0028713535,GGA,Cmcm,A7B2C3_oC48_63_c2eg_g_cg:O-Sn-Sr,24.0,"Invalid WP multiplicities - A7B2C3_oC48_63_c2e2g_g_cg:O-Sn-Sr, expected Sr3Sn2O9 to be Sr3Sn2O7" +mp-2879,SrSnO3,-6.7465352295,-2.6387089411,0.0,-0.0392447538,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sn-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Sn-Sr +mp-12866,SrSnO3,-6.740627184,-2.6328008956,0.0059080455,-0.0333367083,GGA,Imma,A3BC_oI20_74_eg_a_e:O-Sn-Sr,10.0,A3BC_oI20_74_eg_a_e:O-Sn-Sr +mp-12867,SrSnO3,-6.735060865,-2.6272345766000003,0.0114743645,-0.0277703893,GGA,I4/mcm,A3BC_tI20_140_ah_c_b:O-Sn-Sr,10.0,A3BC_tI20_140_ah_c_b:O-Sn-Sr +mp-546973,SrSnO3,-6.698800456,-2.5909741676,0.0477347735,0.0084900197,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sn-Sr,5.0,A3BC_cP5_221_c_b_a:O-Sn-Sr +mp-1194203,Sr2SnO4,-6.6663303854,-2.7841427273,0.0026978075,-0.011112285,GGA,Pccn,A4BC2_oP28_56_cde_a_e:O-Sn-Sr,28.0,A4BC2_oP28_56_cde_a_e:O-Sn-Sr +mp-4941,Sr2SnO4,-6.6669335914,-2.7847459333,0.0020946014,-0.0117154911,GGA,Cmce,A4BC2_oC28_64_ef_a_f:O-Sn-Sr,14.0,A4BC2_oC28_64_ef_a_f:O-Sn-Sr +mp-4287,Sr2SnO4,-6.6690281929,-2.7868405348,0.0,-0.0138100925,GGA,P4_2/ncm,A4BC2_tP28_138_aei_c_i:O-Sn-Sr,28.0,A4BC2_tP28_138_aei_c_i:O-Sn-Sr +mp-3376,Sr2SnO4,-6.6555186757,-2.7733310176,0.0135095171,-0.0003005754,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:O-Sn-Sr,7.0,A4BC2_tI14_139_ce_a_e:O-Sn-Sr +mp-1101720,SnPbO3,-6.314707455,-1.8022504432,0.0762580785,0.0762580785,GGA,Pbam,A3BC_oP40_55_efghi_gh_i:O-Pb-Sn,40.0,"Invalid WP multiplicities - A3BC_oP40_55_2e2f2g4h4i_2g3h_i:O-Pb-Sn, expected Sn2Pb5O18 to be SnPbO3" +mp-978952,SnPbO3,-6.27421126,-1.7617542482,0.1167542735,0.1167542735,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Sn,5.0,A3BC_cP5_221_c_a_b:O-Pb-Sn +mp-504543,SnPbO3,-6.2356597515,-1.7232027397,0.155305782,0.155305782,GGA,Fd-3m,A3BC_cF80_227_f_c_d:O-Pb-Sn,20.0,A3BC_cF80_227_f_c_d:O-Pb-Sn +mp-7961,Sr3SnO,-4.449498488,-1.6445503028,0.0,-0.041889172,GGA,Pm-3m,ABC3_cP5_221_b_a_c:O-Sn-Sr,5.0,ABC3_cP5_221_b_a_c:O-Sn-Sr +mp-1208734,Sr4SnPbO8,-6.4216391329,-2.560660388,0.0665693175,0.0665693175,GGA,P4/mmm,A8BCD4_tP14_123_efgh_a_d_gh:O-Pb-Sn-Sr,14.0,A8BCD4_tP14_123_efgh_a_d_gh:O-Pb-Sn-Sr +mp-22467,Sn(PbO2)2,-6.240245065,-1.7800135164,0.0,-0.0366076424,GGA,P4_2/mbc,A4B2C_tP28_135_gh_h_d:O-Pb-Sn,28.0,A4B2C_tP28_135_gh_h_d:O-Pb-Sn +mp-1218629,Sr8SnPb3O16,-6.3148489675,-2.4644746792,0.0829496116,0.0829496116,GGA,P4/mmm,A16B3CD8_tP28_123_ghijk_ae_c_ghi:O-Pb-Sn-Sr,28.0,"Invalid WP multiplicities - A16B3CD8_tP28_123_2g2hijk_ae_c_2g2hi:O-Pb-Sn-Sr, expected Sr12SnPb3O20 to be Sr8SnPb3O16" +mp-1408395,Ca2Co3O8,-6.8465596123,-1.853508625,0.0,-0.0476946083,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Co-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Co-O +mp-1042895,Ca2Co3O8,-6.7598694785,-1.7668184912,0.0866901338,0.0389955256,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Co-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Co-O, expected Ca2(CoO4)3 to be Ca2Co3O8" +mp-17871,Ca(Al4Co)2,-4.6182413389,-0.4194375107,0.0,-0.0210820797,GGA,Pbam,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ca-Co,44.0,"Invalid WP multiplicities - A8BC2_oP44_55_2a2d8g18h_g_5g:Al-Ca-Co, expected CaAl28Co5 to be Ca(Al4Co)2" +mp-1254937,Ca2AlCoO5,-7.1943606139,-2.794523176,0.0239869775,0.0239869775,GGA+U,P1,AB2CD5_aP18_1_2a_4a_2a_10a:Al-Ca-Co-O,18.0,AB2CD5_aP18_1_2a_4a_2a_10a:Al-Ca-Co-O +mp-1372050,Ca2AlCoO5,-7.1974129056,-2.7975754676,0.0209346858,0.0209346858,GGA+U,C2,AB2CD5_mC36_5_c_2c_ab_5c:Al-Ca-Co-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Co-O +mp-1040953,Ca(CoO2)2,-6.9081943829,-1.7640529093,0.1224303954,0.0990322703,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Co-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Co-O +mp-1041621,Ca(CoO2)2,-6.9437675629,-1.7996260893,0.0868572154,0.0634590903,GGA+U,Pc,AB2C4_mP28_7_2a_4a_8a:Ca-Co-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_7_2a_7a_16a:Ca-Co-O, expected Ca2Co7O16 to be Ca(CoO2)2" +mp-1331554,Ca(CoO2)2,-6.8905054429,-1.7463639693,0.1401193354,0.1167212103,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Co-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Co-O, expected Ca4Co11O24 to be Ca(CoO2)2" +mp-1362332,Ca(CoO2)2,-6.879617944,-1.7354764705,0.1510068342,0.1276087091,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Co-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a12b:Ca-Co-O, expected Ca(CoO2)3 to be Ca(CoO2)2" +mp-1392273,Ca(CoO2)2,-6.8611958486,-1.717054375,0.1694289296,0.1460308046,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Co-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Co-O, expected CaCo3O7 to be Ca(CoO2)2" +mp-1042543,Ca(CoO2)2,-6.77490558,-1.6307641064,0.2557191982,0.2323210732,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Co-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Co-O, expected CaCo3O7 to be Ca(CoO2)2" +mp-1341371,Ca(CoO2)2,-7.0057386411,-1.8615971675,0.0248861371,0.0014880121,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Co-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Ca-Co-O +mp-17544,Ca(CoO2)2,-7.0306247782,-1.8864833046,0.0,-0.023398125,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Co-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Co-O +mp-1047694,Ca(CoO2)2,-6.9414310143,-1.7972895407,0.0891937639,0.0657956389,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Co-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Co-O +mp-1041927,Ca(CoO2)2,-6.8203534036,-1.67621193,0.2102713746,0.1868732496,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Co-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Co-O, expected Ca(CoO5)2 to be Ca(CoO2)2" +mp-1047736,Ca(CoO2)2,-7.0104983886,-1.866356915,0.0201263896,-0.0032717354,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Ca-Co-O,14.0,AB2C4_tI28_88_a_d_f:Ca-Co-O +mp-1406903,Ca(CoO2)2,-6.9292713657,-1.7851298921,0.1013534125,0.0779552875,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Co-O,14.0,AB2C4_tI28_141_a_d_h:Ca-Co-O +mp-1041063,Ca(CoO2)2,-6.9022769633,-1.7581354898,0.1283478149,0.1049496898,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Co-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b7d_2a2b2c13d:Ca-Co-O, expected Ca2Co8O15 to be Ca(CoO2)2" +mp-1048946,Ca(CoO2)2,-6.8681078136,-1.72396634,0.1625169646,0.1391188396,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Co-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Co-O +mp-1402005,Ca(CoO2)2,-6.9815920729,-1.8374505993,0.0490327054,0.0256345803,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Co-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Co-O +mp-1347137,CaCoO2,-6.7577709775,-2.0059472031,0.2898889444,0.2898889444,GGA+U,P1,ABC2_aP16_1_4a_4a_8a:Ca-Co-O,16.0,ABC2_aP16_1_4a_4a_8a:Ca-Co-O +mp-1048132,CaCoO2,-6.9342310538,-2.1824072794,0.1134288681,0.1134288681,GGA+U,P1,ABC2_aP16_1_4a_4a_8a:Ca-Co-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Co-O, expected Ca2Co3O7 to be CaCoO2" +mp-1395085,CaCoO2,-6.8478238631,-2.0960000888,0.1998360588,0.1998360588,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Co-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Co-O, expected Ca2Co3O7 to be CaCoO2" +mp-1046310,CaCoO2,-6.9308941169,-2.1790703425,0.116765805,0.116765805,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Ca-Co-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_2e_3e_7e:Ca-Co-O, expected Ca2Co3O7 to be CaCoO2" +mp-1043610,Ca(Co2O3)2,-7.0219409618,-1.556577023,0.111191173,0.111191173,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Co-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Ca-Co-O, expected Ca(Co2O)6 to be Ca(Co2O3)2" +mp-1335725,CaCo5O7,-6.7643262477,-1.2124793374,0.3964040215,0.3964040215,GGA+U,Cmcm,AB5C7_oC52_63_c_a2f_c3f:Ca-Co-O,26.0,"Invalid WP multiplicities - AB5C7_oC52_63_c_a5f_c3f:Ca-Co-O, expected CaCo11O7 to be CaCo5O7" +mp-1387515,Ca3(CoO3)2,-6.5591455982,-2.021548553,0.3813610189,0.3813610189,GGA+U,P1,A3B2C6_aP11_1_3a_2a_6a:Ca-Co-O,11.0,A3B2C6_aP11_1_3a_2a_6a:Ca-Co-O +mp-1273731,Ca3(CoO3)2,-6.9217093723000005,-2.384112327,0.0187972448,0.0187972448,GGA+U,P-1,A3B2C6_aP22_2_3i_bei_6i:Ca-Co-O,22.0,A3B2C6_aP22_1_6a_4a_12a:Ca-Co-O +mp-1291543,Ca3(CoO3)2,-6.9163081595,-2.3787111143,0.0241984575,0.0241984575,GGA+U,C2/c,A3B2C6_mC44_15_ef_ce_3f:Ca-Co-O,22.0,"Invalid WP multiplicities - A3B2C6_mC44_15_2e2f_2a2e_12f:Ca-Co-O, expected Ca3(CoO6)2 to be Ca3(CoO3)2" +mp-18792,Ca3(CoO3)2,-6.9346520168,-2.3970549716000003,0.0058546002,0.0058546002,GGA+U,R-3c,A3B2C6_hR66_167_e_ab_f:Ca-Co-O,22.0,A3B2C6_hR66_167_e_ab_f:Ca-Co-O +mp-1042545,CaCo3O7,-6.6632393284,-1.3943871244,0.14933367,0.14933367,GGA+U,P2_1/c,AB3C7_mP88_14_2e_6e_14e:Ca-Co-O,88.0,"Invalid WP multiplicities - AB3C7_mP88_14_3e_9e_17e:Ca-Co-O, expected Ca3Co9O17 to be CaCo3O7" +mp-1044287,CaCo3O7,-6.6430880466,-1.3742358426,0.1694849518,0.1694849518,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Co-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Co-O, expected CaCo5O7 to be CaCo3O7" +mp-1182074,Ca2CoO3,-6.7318968217,-2.4052995402,0.2274764046,0.2274764046,GGA+U,Cm,A2BC3_mC12_8_2a_a_3a:Ca-Co-O,6.0,A2BC3_mC12_8_2a_a_3a:Ca-Co-O +mp-30240,Ca2CoO3,-6.728091855,-2.4014945735,0.2312813712,0.2312813712,GGA+U,C2/m,A2BC3_mC12_12_i_a_bi:Ca-Co-O,6.0,A2BC3_mC12_12_i_a_bi:Ca-Co-O +mp-1080407,Ca2CoO3,-6.5902663167,-2.2636690352,0.3691069096,0.3691069096,GGA+U,C2/m,A2BC3_mC12_12_i_a_bi:Ca-Co-O,6.0,A2BC3_mC12_12_i_a_bi:Ca-Co-O +mp-1580697,Ca3Co2O7,-6.7895594712000005,-2.2178714539,0.0392890918,0.0392890918,GGA+U,Cc,A3B2C7_mC48_9_3a_2a_7a:Ca-Co-O,24.0,"Invalid WP multiplicities - A3B2C7_mC48_9_4a_3a_12a:Ca-Co-O, expected Ca4(CoO4)3 to be Ca3Co2O7" +mp-1367827,Ca3Co2O7,-6.7917722013,-2.2200841839,0.0370763618,0.0370763618,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Co-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Ca-Co-O, expected Ca3Co2O9 to be Ca3Co2O7" +mp-1097787,Ca2Co2O5,-6.7833920833,-2.0099166493,0.1921604853,0.1921604853,GGA+U,P2_1,A2B2C5_mP18_4_2a_2a_5a:Ca-Co-O,18.0,A2B2C5_mP18_4_2a_2a_5a:Ca-Co-O +mp-1195056,Ca2Co2O5,-6.782546979,-2.009071545,0.1930055896,0.1930055896,GGA+U,P2_1/m,A2B2C5_mP72_11_4f_ac4ef_4e8f:Ca-Co-O,72.0,A2B2C5_mP72_11_4f_ad4ef_4e8f:Ca-Co-O +mp-1195412,Ca2Co2O5,-6.9506809329,-2.1772054989,0.0248716357,0.0248716357,GGA+U,P2/c,A2B2C5_mP72_13_4g_adef2g_10g:Ca-Co-O,72.0,A2B2C5_mP72_13_4g_adef2g_10g:Ca-Co-O +mp-1099786,Ca2Co2O5,-6.9501186861,-2.1766432521,0.0254338825,0.0254338825,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Co-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Co-O +mp-1371368,Ca2Co2O5,-6.8886122672,-2.1151368332,0.0869403014,0.0869403014,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Co-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Co-O, expected CaCoO6 to be Ca2Co2O5" +mp-1195269,Ca2Co2O5,-6.9645638253,-2.1910883913,0.0109887433,0.0109887433,GGA+U,Pbcm,A2B2C5_oP72_57_2e_ac2d_2d4e:Ca-Co-O,72.0,A2B2C5_oP72_57_2e_ac2d_2d4e:Ca-Co-O +mp-1389398,CaCo2O5,-6.7352523862,-1.6157925080000002,0.095730028,0.095730028,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Co-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Co-O +mp-1043255,CaCo2O5,-6.6526709144,-1.5332110361,0.1783114999,0.1783114999,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Co-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Co-O +mp-1233473,Ca(CoO2)8,-6.6260785636,-1.1053120988,0.2246656276,0.2246656276,GGA+U,P1,AB8C16_aP25_1_a_8a_16a:Ca-Co-O,25.0,AB8C16_aP25_1_a_8a_16a:Ca-Co-O +mp-11350,CaAl9Co2,-4.5393065525,-0.3782717242,0.0071880265,0.0071880265,GGA,P6/mmm,A9BC2_hP12_191_fm_a_c:Al-Ca-Co,12.0,A9BC2_hP12_191_fm_a_c:Al-Ca-Co +mp-1399298,CaCoO3,-6.354939556,-1.5641427942,0.4831187527,0.4831187527,GGA+U,Cm,ABC3_mC10_8_a_a_3a:Ca-Co-O,5.0,ABC3_mC10_8_a_a_3a:Ca-Co-O +mp-1368304,CaCoO3,-6.772877062,-1.9820803003,0.0651812467,0.0651812467,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Co-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Co-O +mp-1099934,CaCoO3,-6.677725452,-1.8869286902,0.1603328567,0.1603328567,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Co-O,5.0,ABC3_cP5_221_a_b_c:Ca-Co-O +mp-1572581,Ca3CoO6,-6.5810872158,-2.3005622455,0.0466221406,0.0466221406,GGA+U,C2,A3BC6_mC80_5_ab5c_2c_12c:Ca-Co-O,40.0,"Invalid WP multiplicities - A3BC6_mC80_5_ab8c_3c_23c:Ca-Co-O, expected Ca9Co3O23 to be Ca3CoO6" +mp-1666748,Ca3CoO6,-6.5816877048,-2.3011627345,0.0460216516,0.0460216516,GGA+U,C2,A3BC6_mC80_5_ab5c_2c_12c:Ca-Co-O,40.0,"Invalid WP multiplicities - A3BC6_mC80_5_ab8c_3c_24c:Ca-Co-O, expected Ca3CoO8 to be Ca3CoO6" +mp-1567921,Ca3CoO6,-6.5792768515,-2.2987518813,0.0484325048,0.0484325048,GGA+U,Cc,A3BC6_mC40_9_3a_a_6a:Ca-Co-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_9_6a_a_12a:Ca-Co-O, expected Ca6CoO12 to be Ca3CoO6" +mp-1639128,Ca3CoO6,-6.5801644648,-2.2996394945,0.0475448916,0.0475448916,GGA+U,C2/c,A3BC6_mC40_15_ef_c_3f:Ca-Co-O,40.0,"Invalid WP multiplicities - A3BC6_mC40_15_2e3f_c_9f:Ca-Co-O, expected Ca8CoO18 to be Ca3CoO6" +mp-1182068,Ca3CoO6,-6.580238321,-2.2997133508,0.0474710353,0.0474710353,GGA+U,R-3c,A3BC6_hR60_167_e_b_f:Ca-Co-O,40.0,A3BC6_hR60_167_e_b_f:Ca-Co-O +mp-1370001,Ca2Co9O13,-7.0449255504,-1.5327166687,0.1031555739,0.1031555739,GGA+U,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Ca-Co-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Ca-Co-O +mp-1096877,Ca3Co4O9,-6.9263253135,-1.9906834872,0.0733213468,0.0733213468,GGA+U,Cmm2,A3B4C9_oC96_35_adef_de2f_bc2d2e4f:Ca-Co-O,48.0,A3B4C9_oC96_35_adef_de2f_bc2d2e4f:Ca-Co-O +mp-1400241,Ca(CoO2)4,-6.8815157992,-1.4959480492,0.0632578885,0.0309076673,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Ca-Co-O,13.0,AB4C8_mC26_8_a_4a_8a:Ca-Co-O +mp-1385949,Ca(CoO2)4,-6.9447736877,-1.5592059377,0.0,-0.0323502212,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Co-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Co-O, expected Ca(Co2O7)2 to be Ca(CoO2)4" +mp-1041397,CaCo4O9,-6.6022480361,-1.2480287888,0.1998052962,0.1998052962,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Ca-Co-O,28.0,AB4C9_tP28_85_c_g_a2g:Ca-Co-O +mp-1182907,Ca3Al4CoO10,-7.3429088887,-3.0332251183,0.1769287793,0.1769287793,GGA+U,P2_1,A4B3CD10_mP72_4_8a_6a_2a_20a:Al-Ca-Co-O,72.0,"Invalid WP multiplicities - A4B3CD10_oP72_29_13a_10a_a_36a:Al-Ca-Co-O, expected Ca10Al13CoO36 to be Ca3Al4CoO10" +mp-1199096,Ca3Al4CoO10,-7.5112010571,-3.2015172867,0.0086366109,0.0086366109,GGA+U,Pca2_1,A4B3CD10_oP72_29_4a_3a_a_10a:Al-Ca-Co-O,72.0,A4B3CD10_oP72_29_4a_3a_a_10a:Al-Ca-Co-O +mp-1184022,CsSmO3,-6.280498904,-2.1896879758,0.2821080521,0.2821080521,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Sm,5.0,AB3C_cP5_221_a_c_b:Cs-O-Sm +mp-7977,CsSmO2,-6.770798425,-2.8939569426,0.0,-0.0338642498,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-O-Sm,8.0,AB2C_hP8_194_c_f_a:Cs-O-Sm +mp-1213306,CsSm(MoO4)2,-8.1116878238,-2.5384546223,0.0,-0.0334076818,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Sm,24.0,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Sm +mp-1213310,CsSm(MoO4)2,-8.0724124021,-2.4991792007,0.0392754217,0.0058677399,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Sm,24.0,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Sm +mp-1213184,CsSm(MoO4)2,-8.1112400863,-2.5380068848,0.0004477375,-0.0329599443,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Sm,24.0,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Sm +mp-1245497,SrCu2PbS4,-4.6840193408,-0.9157251745,0.1019356237,0.1019356237,GGA,P3_221,A2BC4D_hP24_154_c_a_2c_b:Cu-Pb-S-Sr,24.0,A2BC4D_hP24_154_c_a_2c_b:Cu-Pb-S-Sr +mp-1218031,SrPb3S4,-4.85266839,-1.1810141236,0.0062902437,0.0062902437,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Pb-S-Sr,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_a2c_3c_b:Pb-S-Sr, expected SrPb5S6 to be SrPb3S4" +mp-1218560,Sr3PbS4,-5.1587305112,-1.9928646491,0.0,-0.0004340625,GGA,Pmmm,AB4C3_oP8_47_a_cdk_bl:Pb-S-Sr,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_cd2k_b2l:Pb-S-Sr, expected Sr5PbS6 to be Sr3PbS4" +mp-1218019,SrPbS2,-4.99843123,-1.5796711657,0.0104133425,0.0104133425,GGA,R-3m,AB2C_hR12_166_a_c_b:Pb-S-Sr,4.0,AB2C_hR12_166_a_c_b:Pb-S-Sr +mp-1227948,BaNb4O14,-8.1857746437,-2.3132569038,0.3238824444,0.3238824444,GGA,R-3m,AB4C14_hR57_166_b_ad_c2h:Ba-Nb-O,19.0,"Invalid WP multiplicities - AB4C14_hR57_166_b_ad_c9h:Ba-Nb-O, expected BaNb4O56 to be BaNb4O14" +mp-505517,BaNb4O6,-9.2747262545,-2.728878312,0.0,-0.0028094464,GGA,P4/mmm,AB4C6_tP11_123_a_eh_bci:Ba-Nb-O,11.0,AB4C6_tP11_123_a_eh_bci:Ba-Nb-O +mp-5360,Ba3Nb16O23,-9.3893679764,-2.6952811712,0.0,-0.0036731681,GGA,Cmmm,A3B16C23_oC84_65_ch_gi2pq_a2ghijp2q:Ba-Nb-O,42.0,"Invalid WP multiplicities - A3B16C23_oC84_65_ch_gi2pq_a2g2hijp2q:Ba-Nb-O, expected Ba3Nb16O25 to be Ba3Nb16O23" +mp-780569,Ba8Nb7O24,-8.4572909592,-3.2064841933,0.0301612395,0.0301612395,GGA,P3m1,A8B7C24_hP39_156_2a3b3c_3a2b2c_8d:Ba-Nb-O,39.0,"Invalid WP multiplicities - A8B7C24_hP39_156_2a3b3c_3a2b2c_24d:Ba-Nb-O, expected Ba8Nb7O72 to be Ba8Nb7O24" +mp-685446,BaNb8O14,-9.4450561307,-2.8370971212,0.0272810376,0.0004907297,GGA,P2_1/c,AB8C14_mP92_14_e_8e_ac13e:Ba-Nb-O,92.0,"Invalid WP multiplicities - AB8C14_mP92_14_e_29e_2a2c48e:Ba-Nb-O, expected BaNb29O50 to be BaNb8O14" +mp-757688,BaNb8O14,-9.4723371683,-2.8643781588,0.0,-0.0267903079,GGA,Cmc2_1,AB8C14_oC184_36_b_2a7b_4a12b:Ba-Nb-O,92.0,"Invalid WP multiplicities - AB8C14_oC184_36_b_3a20b_7a33b:Ba-Nb-O, expected Ba2Nb43O73 to be BaNb8O14" +mp-21644,BaNb8O14,-9.4686727161,-2.8607137066,0.0036644522,-0.0231258558,GGA,Pbam,AB8C14_oP46_55_b_ghi_acgh2i:Ba-Nb-O,46.0,AB8C14_oP46_55_b_ghi_acgh2i:Ba-Nb-O +mp-653781,BaNb8O14,-9.3752149311,-2.7672559217,0.0971222371,0.0703319292,GGA,Pbca,AB8C14_oP184_61_c_8c_ab13c:Ba-Nb-O,184.0,"Invalid WP multiplicities - AB8C14_oP184_61_c_58c_3a4b97c:Ba-Nb-O, expected Ba2Nb116O201 to be BaNb8O14" +mp-1205468,BaNb8O14,-9.471874188,-2.8639151785,0.0004629803,-0.0263273277,GGA,Pbca,AB8C14_oP184_61_c_8c_ab13c:Ba-Nb-O,184.0,AB8C14_oP184_61_c_8c_ab13c:Ba-Nb-O +mp-1229163,Ba4Nb25O40,-9.4156966309,-2.7769129467,0.0136936251,0.0136936251,GGA,P2/m,A4B25C40_mP69_10_2m_a2m10n_10m10n:Ba-Nb-O,69.0,"Invalid WP multiplicities - A4B25C40_mP69_10_3m_a3m20n_20m20n:Ba-Nb-O, expected Ba6Nb47O80 to be Ba4Nb25O40" +mp-1205833,Ba2NbRhO6,-7.832356669,-2.7339871633,0.0,-0.0017843578,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Rh,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Rh +mp-761128,BaNb5O8,-9.36940469,-2.798046845,0.0,-0.009904919,GGA,P4/m,AB5C8_tP14_83_a_ck_jk:Ba-Nb-O,14.0,"Invalid WP multiplicities - AB5C8_tP14_83_a_c2k_3j4k:Ba-Nb-O, expected BaNb9O28 to be BaNb5O8" +mp-774719,Ba4Nb3O12,-8.2560895737,-3.1329274992,0.053084863,0.053084863,GGA,P6_3mc,A4B3C12_hP38_186_a3b_a2b_4c:Ba-Nb-O,38.0,"Invalid WP multiplicities - A4B3C12_hP38_186_a5b_a4b_21c:Ba-Nb-O, expected Ba6Nb5O63 to be Ba4Nb3O12" +mp-33581,Ba9Nb10O30,-8.6358714927,-3.193330958,0.0,-0.003100455,GGA,P-1,A9B10C30_aP49_2_b4i_5i_cd14i:Ba-Nb-O,49.0,"Invalid WP multiplicities - A9B10C30_aP49_2_b7i_10i_cd27i:Ba-Nb-O, expected Ba15Nb20O56 to be Ba9Nb10O30" +mp-34023,Ba2NbO,-4.408784595,0.3127013128,1.72484074,1.72484074,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Nb-O,4.0,A2BC_cF16_225_c_a_b:Ba-Nb-O +mp-1214396,Ba4Nb2O9,-8.0135699013,-3.1869893519,0.0372222223,0.015580592,GGA,P-3m1,A4B2C9_hP15_164_abd_d_ei:Ba-Nb-O,15.0,A4B2C9_hP15_164_abd_d_ei:Ba-Nb-O +mp-1193166,Ba4Nb2O9,-8.0507921237,-3.2242115743,0.0,-0.0216416303,GGA,P6_3/m,A4B2C9_hP30_176_abf_f_hi:Ba-Nb-O,30.0,A4B2C9_hP30_176_abf_f_hi:Ba-Nb-O +mp-1191444,BaNb6O17,-8.9978308138,-2.8886427608,0.0843341562,0.0843341562,GGA,Immm,AB6C17_oI48_71_a_fm_c2e3m:Ba-Nb-O,24.0,AB6C17_oI48_71_a_fm_c2e3m:Ba-Nb-O +mp-19796,Ba2Nb5O9,-9.0558291594,-2.8767870668,0.0,-0.0070838719,GGA,P4/mmm,A2B5C9_tP16_123_h_aeg_dfgi:Ba-Nb-O,16.0,"Invalid WP multiplicities - A2B5C9_tP16_123_h_aeg_dfg2i:Ba-Nb-O, expected Ba2Nb5O13 to be Ba2Nb5O9" +mp-542201,Ba3Nb2O8,-8.3017720031,-3.2607685731,0.0,-0.0069332799,GGA,R-3m,A3B2C8_hR39_166_ac_c_ch:Ba-Nb-O,13.0,A3B2C8_hR39_166_ac_c_ch:Ba-Nb-O +mp-1173392,NbRhO4,-8.3815142283,-2.1727862692,0.0551230267,0.0551230267,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Nb-O-Rh,6.0,AB4C_oC12_65_a_gj_c:Nb-O-Rh +mp-756638,NbRhO4,-8.4220626042,-2.213334645,0.0145746509,0.0145746509,GGA,I4_1md,AB4C_tI24_109_a_2b_a:Nb-O-Rh,12.0,"Invalid WP multiplicities - AB4C_tI24_109_a_6b_a:Nb-O-Rh, expected NbRhO12 to be NbRhO4" +mp-554262,Ba9(RhO3)8,-6.8620852468,-2.1082860641,0.0,-0.0741598857,GGA,R-3c,A9B24C8_hR246_167_ef_4f_ab3c:Ba-O-Rh,82.0,"Invalid WP multiplicities - A9B24C8_hR246_167_4e4f_41f_2a2b9c:Ba-O-Rh, expected Ba18Rh11O123 to be Ba9(RhO3)8" +mp-772389,Ba9Rh8O27,-6.766241235,-1.9992904936,0.0,-0.0248399923,GGA,P1,A9B27C8_aP88_1_18a_54a_16a:Ba-O-Rh,88.0,A9B27C8_aP88_1_18a_54a_16a:Ba-O-Rh +mp-7685,BaRhO3,-6.8227054355,-1.9980356467,0.0154937258,0.0154937258,GGA,P6_3/mmc,AB3C_hP20_194_ac_gh_f:Ba-O-Rh,20.0,AB3C_hP20_194_ac_gh_f:Ba-O-Rh +mp-1016850,BaRhO3,-6.73986299,-1.9151932013,0.0983361713,0.0983361713,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Rh,5.0,AB3C_cP5_221_a_c_b:Ba-O-Rh +mp-753689,Ba2Nb8O11,-9.2120966662,-2.5900982841,0.0463975698,0.0463975698,GGA,I4/mmm,A2B8C11_tI42_139_c_2ef_adm:Ba-Nb-O,21.0,"Invalid WP multiplicities - A2B8C11_tI42_139_c_4e2f_a2d3m:Ba-Nb-O, expected Ba2Nb16O29 to be Ba2Nb8O11" +mp-3020,BaNbO3,-8.55158716,-3.1795179372,0.0,-0.0219487461,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Nb-O,5.0,ABC3_cP5_221_a_b_c:Ba-Nb-O +mp-757571,Ba13Nb14O42,-8.6109576564,-3.1888435889,0.0004835949,0.0004835949,GGA,P-1,A13B14C42_aP69_2_c6i_df6i_ab20i:Ba-Nb-O,69.0,"Invalid WP multiplicities - A13B14C42_aP69_2_c11i_df11i_ab40i:Ba-Nb-O, expected Ba23Nb24O82 to be Ba13Nb14O42" +mp-505078,BaNb7O9,-9.4709133818,-2.579836404,0.0,-0.0012445254,GGA,P4/mmm,AB7C9_tP17_123_c_bgi_aehi:Ba-Nb-O,17.0,AB7C9_tP17_123_c_bgi_aehi:Ba-Nb-O +mp-3563,Ba5Nb4O15,-8.4473678479,-3.2723501176,0.0,-0.0217287931,GGA,P-3m1,A5B4C15_hP24_164_a2d_cd_e2i:Ba-Nb-O,24.0,"Invalid WP multiplicities - A5B4C15_hP24_164_a2d_cd_e3i:Ba-Nb-O, expected Ba5Nb4O21 to be Ba5Nb4O15" +mp-8846,Ba3Nb5O15,-8.8781715765,-3.2058332857,0.0,-0.0027302677,GGA,P4/mbm,A3B5C15_tP46_127_ag_cj_dhi2j:Ba-Nb-O,46.0,A3B5C15_tP46_127_ag_cj_dhi2j:Ba-Nb-O +mp-1228322,Ba5Nb2O11,-7.60053166,-2.9221394042,0.1265437175,0.1265437175,GGA,C2/c,A5B2C11_mC72_15_e2f_f_e5f:Ba-Nb-O,36.0,"Invalid WP multiplicities - A5B2C11_mC72_15_e2f_f_2e15f:Ba-Nb-O, expected Ba5Nb2O32 to be Ba5Nb2O11" +mp-4564,Ba4Nb14O23,-9.2234046932,-2.8119897986,0.0,-0.0017724734,GGA,Cmmm,A4B14C23_oC82_65_p_acg2hjq_b2ghijp2q:Ba-Nb-O,41.0,"Invalid WP multiplicities - A4B14C23_oC82_65_p_acg2hjq_b2gh2ijp2q:Ba-Nb-O, expected Ba4Nb14O25 to be Ba4Nb14O23" +mp-555050,BaNb2O6,-8.9623962792,-3.2066499139,0.0,-0.0399419332,GGA,C222_1,AB2C6_oC72_20_2a_2c_2b5c:Ba-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oC72_20_4a_4c_4b17c:Ba-Nb-O, expected Ba2Nb4O19 to be BaNb2O6" +mp-640553,BaNb2O6,-8.9353905006,-3.1796441353,0.0270057786,-0.0129361546,GGA,Pmma,AB2C6_oP18_51_f_i_aeij:Ba-Nb-O,18.0,"Invalid WP multiplicities - AB2C6_oP18_51_f_i_2a2e3i3j:Ba-Nb-O, expected BaNb2O16 to be BaNb2O6" +mp-1205727,BaNb3O6,-8.680549845,-2.4902476123,0.4715756759,0.4715756759,GGA,R3m,AB3C6_hR30_160_a_b_c:Ba-Nb-O,10.0,AB3C6_hR30_160_a_b_c:Ba-Nb-O +mp-758025,Ba3(RhO2)14,-6.9988242704,-1.5018349612000002,0.0,-0.0483387256,GGA,P-1,A3B28C14_aP90_2_3i_28i_14i:Ba-O-Rh,90.0,"Invalid WP multiplicities - A3B28C14_aP90_2_4i_55i_28i:Ba-O-Rh, expected Ba4Rh28O55 to be Ba3(RhO2)14" +mp-758845,Ba5Nb2O10,-7.8135314406,-3.1509213293,0.0262393368,0.0262393368,GGA,Cmc2_1,A5B2C10_oC68_36_5a_2a_4a3b:Ba-Nb-O,34.0,"Invalid WP multiplicities - A5B2C10_oC68_36_10a_4a_7a12b:Ba-Nb-O, expected Ba10Nb4O31 to be Ba5Nb2O10" +mp-766302,Ba5Nb5O14,-8.4250517579,-3.0352583472,0.0652508217,0.0652508217,GGA,P2/m,A5B5C14_mP24_10_h2n_a2m_bc4m2n:Ba-Nb-O,24.0,"Invalid WP multiplicities - A5B5C14_mP24_10_e2n_a4m_bc7m4n:Ba-Nb-O, expected Ba5Nb9O24 to be Ba5Nb5O14" +mp-28675,Ba2Nb15O32,-9.391989422,-2.9909370906,0.0,-0.004215507,GGA,R-3,A2B15C32_hR147_148_c_ac2f_c5f:Ba-Nb-O,49.0,"Invalid WP multiplicities - A2B15C32_hR147_148_c_ac2f_c6f:Ba-Nb-O, expected Ba2Nb15O38 to be Ba2Nb15O32" +mp-1120749,BaNb4O11,-9.159997595,-3.1138869123,0.0177160638,0.0177160638,GGA,P6_322,AB4C11_hP32_182_c_dg_fgi:Ba-Nb-O,32.0,AB4C11_hP32_182_c_dg_fgi:Ba-Nb-O +mp-2229530,Mg(NbS3)4,-6.5021022112,-1.1113434693,0.1359890156,0.1359890156,GGA,P1,AB4C12_aP17_1_a_4a_12a:Mg-Nb-S,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Nb-S +mp-2229008,Mg(NbS3)4,-6.5098937782,-1.1191350363,0.1281974485,0.1281974485,GGA,P1,AB4C12_aP17_1_a_4a_12a:Mg-Nb-S,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Nb-S +mp-2217903,MgNb2(SCl)4,-5.57657147,-1.418131812,0.2305518623,0.2305518623,GGA,C2,A4BC2D4_mC22_5_2c_a_2b_2c:Cl-Mg-Nb-S,11.0,A4BC2D4_mC22_5_2c_a_2b_2c:Cl-Mg-Nb-S +mp-2241078,MgNb2(SCl)4,-5.5545384718,-1.3960988139,0.2525848605,0.2525848605,GGA,C2,A4BC2D4_mC22_5_2c_a_2b_2c:Cl-Mg-Nb-S,11.0,A4BC2D4_mC22_5_2c_a_2b_2c:Cl-Mg-Nb-S +mp-2234083,MgNb2(SCl)4,-5.5660204718,-1.4075808139,0.2411028605,0.2411028605,GGA,Cm,A4BC2D4_mC22_8_2b_a_b_4a:Cl-Mg-Nb-S,11.0,"Invalid WP multiplicities - A4BC2D4_mC22_8_3b_a_b_4a:Cl-Mg-Nb-S, expected MgNb2(S2Cl3)2 to be MgNb2(SCl)4" +mp-27362,Nb(SCl)2,-5.872545882,-1.4582902632,0.0,-0.0696088052,GGA,C2/m,A2BC2_mC20_12_j_g_2i:Cl-Nb-S,10.0,A2BC2_mC20_12_j_g_2i:Cl-Nb-S +mp-621925,Mn2GeS4,-6.3892530668,-0.7474162230000001,0.0150299354,0.0150299354,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Ge-Mn-S,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_7c5d:Ge-Mn-S, expected Mn4GeS17 to be Mn2GeS4" +mp-1222040,Mn(CuS)2,-5.529361144,-0.4026954708,0.13101684,0.13101684,GGA,F-43m,A2BC2_cF80_216_acf_e_2e:Cu-Mn-S,20.0,A2BC2_cF80_216_acf_e_2e:Cu-Mn-S +mp-20474,MnCu2GeS4,-5.4670740931,-0.6509170988,0.0,-0.02170618,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Cu-Ge-Mn-S,16.0,"Invalid WP multiplicities - A2BCD4_oP16_31_b_a_a_4ab:Cu-Ge-Mn-S, expected MnCu2GeS6 to be MnCu2GeS4" +mp-554553,Ho3CuSnS7,-5.9303760596,-1.6961132093,0.0187280581,0.0187280581,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Ho-S-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b6c_b:Cu-Ho-S-Sn, expected Ho3CuSnS19 to be Ho3CuSnS7" +mp-1103249,Ho3(CuSn)4,-4.6958691555000005,-0.4974745455,0.0007552255,-0.0053785968,GGA,C2/m,A4B3C4_mC22_12_2i_ai_2i:Cu-Ho-Sn,11.0,A4B3C4_mC22_12_2i_ai_2i:Cu-Ho-Sn +mp-1101850,Ho3(CuSn)4,-4.6966243809,-0.4982297709,0.0,-0.0061338223,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Ho-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Ho-Sn +mp-1224178,Ho(CuS)3,-5.2504907029,-1.0662937771,0.0,-0.0074134803,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Ho-S,14.0,A3BC3_hR42_148_f_c_f:Cu-Ho-S +mp-1224675,Ho(CuS)3,-5.1075179414,-0.9233210156,0.1429727614,0.1355592812,GGA,P-3m1,A3BC3_hP14_164_3d_c_3d:Cu-Ho-S,14.0,"Invalid WP multiplicities - A3BC3_hP14_164_6d_c_6d:Cu-Ho-S, expected Ho(CuS)6 to be Ho(CuS)3" +mp-1024954,HoCuSn,-4.8266661117,-0.5962703133,0.0,-0.0816839137,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Ho-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Ho-Sn +mp-1018724,HoCuSn,-4.7803150833,-0.549919285,0.0463510283,-0.0353328853,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Ho-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Ho-Sn +mp-1018632,Ho(CuS)2,-5.20237268,-0.9916282913,0.307681231,0.307681231,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cu-Ho-S,5.0,A2BC2_hP5_164_d_a_d:Cu-Ho-S +mp-1211942,HoCu5Sn,-4.4109506068,-0.2555200246,2.43954e-05,2.43954e-05,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Ho-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Ho-Sn +mp-560611,HoCuS2,-5.8616542075,-1.6230253891,0.0011115137,-0.013376011,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Cu-Ho-S,16.0,"Invalid WP multiplicities - ABC2_oP16_19_a_a_5a:Cu-Ho-S, expected HoCuS5 to be HoCuS2" +mp-12453,HoCuS2,-5.8627657212,-1.6241369028,0.0,-0.0144875247,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Ho-S,16.0,ABC2_oP16_62_c_c_2c:Cu-Ho-S +mp-1188589,Er(Co2B)6,-7.1855967184,-0.3464449829,0.0,-0.0131819255,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Er,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Er +mp-1105098,Er4(CoB2)3,-6.5364641308,-0.4078349577,0.1472803221,0.1472803221,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Er,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Er +mp-1189246,Er(CoB)4,-7.1529375356,-0.5175423052,0.0,-0.0167502433,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Er,18.0,A4B4C_tP18_137_g_g_a:B-Co-Er +mp-1202869,Er4CoB13,-6.7378535819,-0.5038932455,0.1007311715,0.1007311715,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Er,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Er +mp-1190704,Er2Co7B3,-6.9990486362,-0.4213955115,0.0052150182,0.0052150182,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Er,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Er +mp-1103089,ErCo4B,-6.9319617167,-0.3185647565,0.0154268272,0.0154268272,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Er,12.0,AB4C_hP12_191_c_di_ab:B-Co-Er +mp-1213100,ErCoB4,-7.0139375242,-0.6150035761,0.0,-0.054782354,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Er,24.0,A4BC_oP24_55_4h_g_g:B-Co-Er +mp-1181434,Er3Co11B4,-6.9763259811000005,-0.3867582445,0.0089793031,0.0089793031,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Er,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Er +mp-1225877,ErFe2Co2B,-7.3483030267,-0.2810049282,0.0279524406,0.0279524406,GGA,Cmm2,AB2CD2_oC24_35_d_cd_2a_2bc:B-Co-Er-Fe,12.0,AB2CD2_oC24_35_d_cd_2a_2bc:B-Co-Er-Fe +mp-568509,Er(CoB)2,-7.008391176,-0.5797635877,0.0,-0.039957618,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Er,5.0,A2B2C_tI10_139_e_d_a:B-Co-Er +mp-5353,ErCo3B2,-7.061138765,-0.5192294756,0.0,-0.0303164165,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Er,6.0,A2B3C_hP6_191_c_g_a:B-Co-Er +mp-772087,Er3Sb5O12,-7.361125936,-2.6757045778,0.0,-0.0586949764,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Er-O-Sb,40.0,"Invalid WP multiplicities - A3B12C5_cI80_217_d_5g_2c2e:Er-O-Sb, expected Er3(SbO3)10 to be Er3Sb5O12" +mp-19256,Er2Mn2O7,-8.5607410636,-2.9165329561,0.0,-0.0611993315,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Er-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_a2f:Er-Mn-O, expected Er2Mn2O13 to be Er2Mn2O7" +mp-19319,ErMnO3,-8.762813469,-3.0488534218,0.0344051807,-0.0008312307,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Er-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Er-Mn-O +mp-19217,ErMnO3,-8.7972186497,-3.0832586025,0.0,-0.0352364114,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Er-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:Er-Mn-O +mp-1225740,Er2Mn3Sb3O14,-7.856367405,-2.4808160789,0.0021450839,0.0021450839,GGA+U,C2/m,A2B3C14D3_mC44_12_e_acd_3i2j_bf:Er-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_e_abc_5i8j_df:Er-Mn-O-Sb, expected Er2Mn3(SbO14)3 to be Er2Mn3Sb3O14" +mp-1205843,Er6MnSb2,-5.5585261033,-0.5778226998,0.0,-0.0112464506,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Er-Mn-Sb,9.0,A6BC2_hP9_189_fg_a_d:Er-Mn-Sb +mp-1213099,ErMn2O3,-8.6619660087,-2.3733300874,0.3073714314,0.3073714314,GGA+U,Pbam,AB2C3_oP24_55_g_eh_fi:Er-Mn-O,24.0,AB2C3_oP24_55_g_eh_fi:Er-Mn-O +mp-772137,Er2Sb2O7,-7.5602435682,-2.8311289247,0.0815947798,0.0815947798,GGA,P3_121,A2B7C2_hP66_152_abc_7c_abc:Er-O-Sb,66.0,"Invalid WP multiplicities - A2B7C2_hP66_152_3a3b3c_42c_2a3b2c:Er-O-Sb, expected Er4Sb3O28 to be Er2Sb2O7" +mp-1213308,ErSbO4,-7.6271266433,-2.8798808275,0.0,-0.1907644933,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Er-O-Sb,24.0,AB4C_aP24_2_2i_8i_2i:Er-O-Sb +mp-1237008,ErSbO4,-7.6192599154,-2.8720140996,0.0078667279,-0.1828977654,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Er-O-Sb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_5e_e:Er-O-Sb, expected ErSbO5 to be ErSbO4" +mp-19345,ErMn2O5,-8.6111523922,-2.6580032734,0.0,-0.0232983599,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Er-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Er-Mn-O +mp-1232319,ErMn2O4,-8.7391669357,-2.6422377587,0.1257627126,0.1257627126,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Er-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i2j:Er-Mn-O, expected ErMn2O8 to be ErMn2O4" +mp-780260,TiGeO3,-8.155536432,-2.6838192309,0.0410488382,0.0410488382,GGA,R-3,AB3C_hR30_148_c_f_c:Ge-O-Ti,10.0,AB3C_hR30_148_c_f_c:Ge-O-Ti +mp-1213715,Cs2Ti4O9,-8.426894918,-3.2340301705,0.0,-0.056882439,GGA,C2/m,A2B9C4_mC60_12_2i_9i_4i:Cs-O-Ti,30.0,A2B9C4_mC60_12_2i_9i_4i:Cs-O-Ti +mp-770128,Cs6Ti2O7,-6.213164488,-2.4938165384,0.0,-0.104693754,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:Cs-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_9e_2a10e_e:Cs-O-Ti, expected Cs9TiO11 to be Cs6Ti2O7" +mp-867522,CsTi8O16,-9.1358812268,-3.4076269114,0.0052752548,0.0052752548,GGA,C2/c,AB16C8_mC100_15_e_8f_4f:Cs-O-Ti,50.0,"Invalid WP multiplicities - AB16C8_mC100_15_e_21f_9f:Cs-O-Ti, expected CsTi18O42 to be CsTi8O16" +mp-1043032,Ti(GeO3)2,-7.7269994847,-2.5245905965,0.028185529,0.028185529,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-Ti,36.0,A2B6C_mP36_14_2e_6e_e:Ge-O-Ti +mp-1042864,Ti(GeO3)2,-7.7273237622,-2.5249148740000003,0.0278612515,0.0278612515,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ge-O-Ti,18.0,A2B6C_mC36_15_f_3f_e:Ge-O-Ti +mp-867568,CsTi6O12,-9.0492766137,-3.3846124554,0.0,-0.0098389189,GGA,I4/m,AB12C6_tI76_87_e_2h2i_hi:Cs-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_tI76_87_e_7h11i_4h4i:Cs-O-Ti, expected CsTi24O58 to be CsTi6O12" +mp-1183977,CsTiO3,-7.088216598,-2.3620244935,0.3486867383,0.3486867383,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Ti,5.0,AB3C_cP5_221_a_c_b:Cs-O-Ti +mp-1178403,Cs2TiO3,-6.7768671025,-2.6891399534,0.0,-0.010270007,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-O-Ti,12.0,"Invalid WP multiplicities - A2B3C_oC24_63_g_c2e_c:Cs-O-Ti, expected Cs2TiO5 to be Cs2TiO3" +mp-16805,Cs2Ti(GeO3)3,-6.974579212,-2.4362072969,0.0,-0.0746289817,GGA,P6_3/m,A2B3C9D_hP30_176_f_h_hi_b:Cs-Ge-O-Ti,30.0,A2B3C9D_hP30_176_f_h_hi_b:Cs-Ge-O-Ti +mp-1110918,K2CeAgCl6,-4.310832594,-2.1030662928,0.064488448,0.064488448,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-Cl-K +mp-1225987,CsBa2Ni2F9,-5.57225179,-3.1796134815,0.12800193,0.12800193,GGA+U,R3m,A2BC9D2_hR42_160_2a_a_3b_2a:Ba-Cs-F-Ni,14.0,A2BC9D2_hR42_160_2a_a_3b_2a:Ba-Cs-F-Ni +mp-632326,HCl,-3.4363465125,-0.81571516,0.0,-0.81571516,GGA,Cmc2_1,AB_oC8_36_a_a:Cl-H,4.0,AB_oC8_36_a_a:Cl-H +mp-684609,HCl,-3.38277979,-0.7621484375,0.0535667225,-0.7621484375,GGA,Imm2,AB_oI4_44_a_a:Cl-H,2.0,AB_oI4_44_a_a:Cl-H +mp-23722,HCl,-2.15704814,0.4635832125,1.2792983725,0.4635832125,GGA,Fm-3m,AB_cF8_225_a_b:Cl-H,2.0,AB_cF8_225_a_b:Cl-H +mp-634101,HCl,-3.108107735,-0.4874763825,0.3282387775,-0.4874763825,GGA,I4/mmm,AB_tI4_139_a_b:Cl-H,2.0,AB_tI4_139_a_b:Cl-H +mp-1213821,Cs2TlHCl5,-3.2079730872,-1.3425445055,0.2746337828,0.2746337828,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-H-Tl,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-H-Tl +mp-1096437,Cs2HCl,-2.61816373,-0.8601468677,0.3786291125,0.3786291125,GGA,Immm,AB2C_oI8_71_a_e_b:Cl-Cs-H,4.0,AB2C_oI8_71_a_e_b:Cl-Cs-H +mp-1110586,Rb2NiAuF6,-4.461591765,-2.213195702,0.120665373,0.120665373,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ni-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ni-Rb +mp-22552,Ni(AuF4)2,-4.1257792855,-1.61489452,0.0,-0.0218891924,GGA+U,P2_1/c,A2B8C_mP22_14_e_4e_a:Au-F-Ni,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Au-F-Ni, expected Ni(AuF5)2 to be Ni(AuF4)2" +mp-1203087,Ga4Hg11(PCl4)4,-2.8926201894,-0.9874011982,0.0,-0.0451111247,GGA,C2/m,A16B4C11D4_mC70_12_4i2j_2i_a3ij_2i:Cl-Ga-Hg-P,35.0,A16B4C11D4_mC70_12_4i2j_2i_a3ij_2i:Cl-Ga-Hg-P +mp-1100873,YAgSe2,-5.481127845,-1.4084153270000002,0.0406727187,0.0378583213,GGA,P1,AB2C_aP8_1_2a_4a_2a:Ag-Se-Y,8.0,AB2C_tI16_141_a_e_b:Ag-Se-Y +mp-676284,YAgSe2,-5.4805804512,-1.4078679333,0.0412201125,0.038405715,GGA,Cm,AB2C_mC16_8_2a_4a_2a:Ag-Se-Y,8.0,AB2C_tI16_141_a_e_b:Ag-Se-Y +mp-1188559,YAgSe2,-5.5218005637,-1.4490880458,0.0,-0.0028143975,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Ag-Se-Y,16.0,AB2C_oP16_19_a_2a_a:Ag-Se-Y +mp-1216001,YAgSe2,-5.4179108575,-1.3451983395,0.1038897062,0.1010753088,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ag-Se-Y,4.0,AB2C_tP4_123_a_bc_d:Ag-Se-Y +mp-937836,YAgSe2,-5.4809246125,-1.4082120945,0.0408759512,0.0380615538,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ag-Se-Y,8.0,AB2C_tI16_141_a_e_b:Ag-Se-Y +mp-6647,BaYAgSe3,-5.3995314033,-1.7819086551,0.0,-0.0309377977,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Ba-Se-Y,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Ag-Ba-Se-Y, expected BaYAgSe5 to be BaYAgSe3" +mp-1193099,Ba(YSe2)2,-6.3723034296,-2.2529372757,0.0,-0.0437734254,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Se-Y,28.0,AB4C2_oP28_62_c_4c_2c:Ba-Se-Y +mp-1112871,Cs2KMoBr6,-3.980566381,-1.6740640029,0.0333013612,0.0333013612,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Mo +mp-674421,Tl8Cu4F11,-4.0142480513,-1.5653680297,0.1764395823,0.1764395823,GGA,P1,A4B11C8_aP46_1_8a_22a_16a:Cu-F-Tl,46.0,A4B11C8_aP46_1_8a_22a_16a:Cu-F-Tl +mp-1113791,Rb2TlCuF6,-4.380779964,-2.3916007873,0.019120112,0.019120112,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Tl +mp-675275,Tl2CuF3,-4.1044922758,-1.6780039649,0.1105705579,0.1105705579,GGA,P-1,AB3C2_aP36_2_ab2i_cf8i_6i:Cu-F-Tl,36.0,"Invalid WP multiplicities - AB3C2_aP36_2_ab4i_cf16i_11i:Cu-F-Tl, expected Tl11Cu5F17 to be Tl2CuF3" +mp-554973,TlCuF3,-4.342521356,-1.9032640122,0.000183977,0.000183977,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-F-Tl,5.0,AB3C_cP5_221_b_c_a:Cu-F-Tl +mp-1025338,Tl2CuF4,-4.2951527771,-1.9422372295,0.0,-0.0208176732,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-F-Tl,7.0,AB4C2_tI14_139_a_ce_e:Cu-F-Tl +mp-1113421,Cs2BiAuI6,-2.831350659,-1.0568132616,0.0657994775,0.0657994775,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Au-Bi-Cs-I,10.0,ABC2D6_cF40_225_a_b_c_e:Au-Bi-Cs-I +mp-1209950,NaYb(Pd3O4)2,-5.9684214956,-1.3737381129,0.0,-0.0838364956,GGA,Pm-3,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Yb,,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Yb +mp-756878,NaYbO2,-5.556717675,-2.3678399260000003,0.1014997883,0.1014997883,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Yb,,AB2C_tI16_141_a_e_b:Na-O-Yb +mp-752924,NaYbO2,-5.5592600475000005,-2.3703822985,0.0989574158,0.0989574158,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Yb,,AB2C_hR12_166_a_c_b:Na-O-Yb +mp-1186199,NaYbO3,-5.020301908,-1.4798619666,0.52072505,0.52072505,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Yb,,AB3C_cP5_221_a_c_b:Na-O-Yb +mp-1187570,YbPdO3,-6.007689812,-1.6957785673,0.193386049,0.193386049,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pd-Yb,,A3BC_cP5_221_c_b_a:O-Pd-Yb +mp-1048597,ZnCr2O5,-7.3978682063,-1.735457943,0.2809471843,0.2809471843,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Cr-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Cr-O-Zn +mp-1043285,ZnCr2O5,-7.4496402563,-1.787229993,0.2291751343,0.2291751343,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Cr-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Cr-O-Zn +mp-1376393,Zn2Cr2O5,-6.9214771828,-1.7482521032,0.4216179767,0.4216179767,GGA+U,Pbam,A2B5C2_oP18_55_g_agh_h:Cr-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a2g3h_h:Cr-O-Zn, expected ZnCrO6 to be Zn2Cr2O5" +mp-1228973,Al3ZnCr8,-7.5523760417,-0.07563847,0.01643688,0.01643688,GGA,P4/mmm,A3B8C_tP12_123_ah_2g2h_b:Al-Cr-Zn,12.0,"Invalid WP multiplicities - A3B8C_tP12_123_a2h_3g4h_b:Al-Cr-Zn, expected Al5ZnCr14 to be Al3ZnCr8" +mp-1341886,ZnCr2O7,-7.105889168,-1.5866232151,0.0524682012,0.0524682012,GGA+U,P2_1,A2B7C_mP20_4_2a_7a_a:Cr-O-Zn,20.0,A2B7C_mP20_4_2a_7a_a:Cr-O-Zn +mp-1444696,ZnCrO2,-6.8514606744,-1.6499185488,0.3433014762,0.3433014762,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Cr-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Cr-O-Zn, expected Zn2Cr3O7 to be ZnCrO2" +mp-1444748,ZnCrO2,-6.9375783163,-1.7360361906,0.2571838344,0.2571838344,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Cr-O-Zn,16.0,AB2C_aP16_1_4a_8a_4a:Cr-O-Zn +mp-1367483,ZnCrO2,-6.8752957138,-1.6737535881,0.3194664369,0.3194664369,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Cr-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Cr-O-Zn, expected Zn2Cr3O7 to be ZnCrO2" +mp-1046147,ZnCrO2,-6.877906605,-1.6763644794,0.3168555456,0.3168555456,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Cr-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Cr-O-Zn, expected Zn2Cr3O7 to be ZnCrO2" +mp-531864,Al24Zn3O40,-7.5464938594,-3.1951416325,0.0836552179,0.0836552179,GGA,Cm,A24B40C3_mC134_8_14a5b_20a10b_3a:Al-O-Zn,67.0,"Invalid WP multiplicities - A24B40C3_mC134_8_14a9b_20a18b_3a:Al-O-Zn, expected Al32Zn3O56 to be Al24Zn3O40" +mp-772296,ZnCrO4,-6.7931023725,-1.676511385,0.0165476833,-0.0405730064,GGA+U,C2/m,AB4C_mC48_12_gi_2i3j_hi:Cr-O-Zn,24.0,"Invalid WP multiplicities - AB4C_mC48_12_g2i_4i5j_h2i:Cr-O-Zn, expected Zn3Cr3O14 to be ZnCrO4" +mp-770735,ZnCrO4,-6.7742893171,-1.6576983296,0.0353607387,-0.021759951,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-Zn,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Cr-O-Zn, expected ZnCrO13 to be ZnCrO4" +mp-755896,ZnCrO4,-6.8096500558,-1.6930590683000002,0.0,-0.0571206897,GGA+U,Cmcm,AB4C_oC24_63_c_fg_a:Cr-O-Zn,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_f2g_a:Cr-O-Zn, expected ZnCrO6 to be ZnCrO4" +mp-1041381,ZnCr4O9,-7.7892182461,-1.7612088253,0.2707894511,0.2707894511,GGA+U,P4/n,A4B9C_tP28_85_g_a2g_c:Cr-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Cr-O-Zn +mp-1046078,ZnCr5O7,-8.3852924423,-1.9120769086,0.2250397012,0.2250397012,GGA+U,Cmcm,A5B7C_oC52_63_a2f_c3f_c:Cr-O-Zn,26.0,"Invalid WP multiplicities - A5B7C_oC52_63_a5f_c3f_c:Cr-O-Zn, expected ZnCr11O7 to be ZnCr5O7" +mp-1044344,ZnCr3O7,-7.6619622882,-1.7668980156,0.2594300248,0.2594300248,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Cr-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Cr-O-Zn, expected ZnCr5O7 to be ZnCr3O7" +mp-1042605,ZnCr4O6,-8.2661584259,-1.943243357,0.2237503415,0.2237503415,GGA+U,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Cr-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Cr-O-Zn, expected ZnCr12O6 to be ZnCr4O6" +mp-760795,Al10ZnO16,-7.6665376548,-3.3012590885,0.020921847,0.020921847,GGA,R3m,A10B16C_hR81_160_4a2b_4a4b_a:Al-O-Zn,27.0,"Invalid WP multiplicities - A10B16C_hR81_160_4a5b_4a8b_a:Al-O-Zn, expected Al19ZnO28 to be Al10ZnO16" +mp-1341277,ZnCrO3,-6.9905993775,-1.8400279348,0.1391177405,0.1391177405,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Zn,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Zn +mp-1348460,Zn3Cr2O7,-6.6344685771,-1.8251230147,0.1227542579,0.1227542579,GGA+U,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Cr-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Cr-O-Zn, expected Zn3Cr2O9 to be Zn3Cr2O7" +mp-1384392,ZnCr4O8,-8.1380521523,-2.0268642154,0.1452169035,0.1452169035,GGA+U,Cm,A4B8C_mC26_8_4a_8a_a:Cr-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Cr-O-Zn +mp-1044215,ZnCr4O8,-8.1156885562,-2.0045006192,0.1675804996,0.1675804996,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Cr-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Cr-O-Zn, expected ZnCr4O14 to be ZnCr4O8" +mp-34210,Al2ZnO4,-6.9713101686000005,-2.8945030093,0.1272966443,0.0654459107,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Al-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_a2e_4h3i_c:Al-O-Zn, expected Al3ZnO14 to be Al2ZnO4" +mp-2908,Al2ZnO4,-7.0986068129,-3.0217996536,0.0,-0.0618507336,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Al-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Al-O-Zn +mp-1365412,ZnCr2O4,-7.8335502563,-2.068894057,0.2090716859,0.1339382637,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Cr-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Cr-O-Zn, expected Zn4Cr11O24 to be ZnCr2O4" +mp-1362371,ZnCr2O4,-7.8146994179,-2.0500432186,0.2279225243,0.1527891021,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Cr-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Cr-O-Zn, expected ZnCr3O6 to be ZnCr2O4" +mp-1409107,ZnCr2O4,-7.8110085479,-2.0463523486,0.2316133943,0.1564799721,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Cr-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Cr-O-Zn, expected ZnCr3O7 to be ZnCr2O4" +mp-1041789,ZnCr2O4,-7.8631114525,-2.0984552532,0.1795104896,0.1043770675,GGA+U,Pbcm,A2B4C_oP28_57_e_cde_d:Cr-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Cr-O-Zn, expected ZnCr2O16 to be ZnCr2O4" +mp-1378442,ZnCr2O4,-7.8528148518,-2.0881586525,0.1898070904,0.1146736682,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Cr-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Cr-O-Zn +mp-1048271,ZnCr2O4,-7.8555551982,-2.0908989989,0.1870667439,0.1119333218,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Cr-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Cr-O-Zn +mp-1047680,ZnCr2O4,-7.8645233686,-2.0998671693,0.1780985736,0.1029651514,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Cr-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Cr-O-Zn +mp-1041909,ZnCr2O4,-7.7738196036,-2.0091634043,0.2688023386,0.1936689164,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Cr-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Cr-O-Zn, expected ZnCr2O10 to be ZnCr2O4" +mp-1040929,ZnCr2O4,-7.9410894948,-2.1764332955,0.1015324474,0.0263990252,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Cr-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Cr-O-Zn, expected Zn2Cr8O15 to be ZnCr2O4" +mp-1048859,ZnCr2O4,-7.9899973007,-2.2253411014,0.0526246414,-0.0225087807,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Cr-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab8d_2a2b2c16d_a2b3c:Cr-O-Zn, expected Zn2Cr9O18 to be ZnCr2O4" +mp-1048872,ZnCr2O4,-7.8925855629,-2.1279293636,0.1500363793,0.0749029571,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Cr-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Cr-O-Zn +mp-19410,ZnCr2O4,-8.0426219421,-2.2779657429,0.0,-0.0751334221,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Cr-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Cr-O-Zn +mp-1045720,ZnCr2O6,-7.1540849644,-1.5711993181,0.2417697748,0.2417697748,GGA+U,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Cr-O-Zn,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_2a3b_a:Cr-O-Zn, expected ZnCr2O8 to be ZnCr2O6" +mp-1046037,Zn2Cr9O13,-7.8083539071,-1.4040260864,0.7467841890000001,0.7467841890000001,GGA+U,P-1,A9B13C2_aP24_2_b4i_d6i_i:Cr-O-Zn,24.0,A9B13C2_aP24_2_b4i_d6i_i:Cr-O-Zn +mp-1228406,Al4Zn3Cr2O12,-7.4108016538,-2.7713781479,0.0024768688,0.0024768688,GGA+U,C2/m,A4B2C12D3_mC84_12_eij_adi_6i3j_3i:Al-Cr-O-Zn,42.0,"Invalid WP multiplicities - A4B2C12D3_mC84_12_2ei2j_ac2i_12i12j_6i:Al-Cr-O-Zn, expected Al7Zn6Cr3O36 to be Al4Zn3Cr2O12" +mp-1408698,Zn2Cr3O8,-7.3343988685,-1.86884969,0.1391591262,0.1391591262,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Cr-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Cr-O-Zn +mp-1042832,Zn2Cr3O8,-7.4169218377,-1.9513726592,0.0566361569,0.0566361569,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Cr-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Cr-O-Zn, expected Zn2Cr3O12 to be Zn2Cr3O8" +mp-27227,LiAg3O2,-4.1938372517,-0.8105092018000001,0.0,-0.0198363429,GGA,Ibam,A3BC2_oI24_72_ce_b_j:Ag-Li-O,12.0,"Invalid WP multiplicities - A3BC2_oI24_72_c2e_b_j:Ag-Li-O, expected LiAg5O2 to be LiAg3O2" +mp-532085,Li2IrO3,-6.3165018735,-1.7337775323,0.0,-0.0572364062,GGA,C2,AB2C3_mC120_5_2a4c_a3b8c_15c:Ir-Li-O,60.0,"Invalid WP multiplicities - AB2C3_mC120_5_2a7c_a3b16c_29c:Ir-Li-O, expected Li18Ir8O29 to be Li2IrO3" +mp-1190434,Li2IrO3,-6.3134391346,-1.7307147934,0.0030627389,-0.0541736673,GGA,Fddd,AB2C3_oF96_70_e_2e_fh:Ir-Li-O,24.0,AB2C3_oF96_70_e_2e_fh:Ir-Li-O +mp-776370,Ag3IrO4,-5.2755056319,-0.6351485025,0.0705621706,0.0705621706,GGA,P4_122,A3BC4_tP32_91_a2b_a_2d:Ag-Ir-O,32.0,"Invalid WP multiplicities - A3BC4_tP32_91_3a7b_a_7d:Ag-Ir-O, expected Ag10IrO14 to be Ag3IrO4" +mp-8469,Li8IrO6,-5.5114178047,-1.9254211793,0.0053030407,0.0053030407,GGA,R-3,AB8C6_hR45_148_a_cf_f:Ir-Li-O,15.0,"Invalid WP multiplicities - AB8C6_hR45_148_a_2c2f_f:Ir-Li-O, expected Li16IrO6 to be Li8IrO6" +mp-1210872,LiIrO2,-6.5337352375,-1.3735516202,0.1633579736,0.1633579736,GGA,C2/m,ABC2_mC24_12_ag_dh_ij:Ir-Li-O,12.0,ABC2_mC24_12_ag_ch_ij:Ir-Li-O +mp-1210909,LiIrO2,-6.5337288263,-1.373545209,0.1633643848,0.1633643848,GGA,C2/c,ABC2_mC48_15_cf_3e_3f:Ir-Li-O,24.0,ABC2_mC48_15_af_3e_3f:Ir-Li-O +mp-1222467,LiAg3(IrO3)2,-5.8380194292,-1.0243868038,0.0117383158,0.0117383158,GGA,C2/m,A3B2CD6_mC24_12_ag_h_d_ij:Ag-Ir-Li-O,12.0,"Invalid WP multiplicities - A3B2CD6_mC24_12_a2g_h_d_2i2j:Ag-Ir-Li-O, expected LiAg5(IrO6)2 to be LiAg3(IrO3)2" +mp-996989,LiAgO2,-4.4673756125,-0.8086615394000001,0.2987749813,0.2396229162,GGA,P2/m,ABC2_mP8_10_ac_n_mn:Ag-Li-O,8.0,"Invalid WP multiplicities - ABC2_mP8_10_ac_n_2mn:Ag-Li-O, expected LiAgO3 to be LiAgO2" +mp-996992,LiAgO2,-4.743651335,-1.0849372619,0.0224992587,-0.0366528063,GGA,C2/m,ABC2_mC8_12_a_c_i:Ag-Li-O,4.0,ABC2_mC8_12_a_c_i:Ag-Li-O +mp-996962,LiAgO2,-4.7661505937,-1.1074365206,0.0,-0.059152065,GGA,P2_1/c,ABC2_mP8_14_a_d_e:Ag-Li-O,8.0,ABC2_mP8_14_a_b_e:Ag-Li-O +mp-996988,LiAgO2,-4.719879745,-1.0611656719,0.0462708487,-0.0128812163,GGA,Pmmm,ABC2_oP4_47_c_f_i:Ag-Li-O,4.0,ABC2_oP4_47_c_f_i:Ag-Li-O +mp-996997,LiAgO2,-4.76477748,-1.1060634069,0.0013731138,-0.0577789513,GGA,Pmna,ABC2_oP8_53_a_c_g:Ag-Li-O,8.0,ABC2_oP8_53_a_c_g:Ag-Li-O +mp-755585,LiAgO2,-4.4900211500000005,-0.8313070769,0.2761294438,0.2169773787,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Ag-Li-O,8.0,ABC2_hP8_194_a_c_f:Ag-Li-O +mp-772290,LiAgO,-4.4877558392,-1.2583666454,0.0,-0.0306865069,GGA,I4/mmm,ABC_tI24_139_h_i_j:Ag-Li-O,12.0,ABC_tI24_139_h_i_j:Ag-Li-O +mp-36836,Sr4Ru2O9,-7.10666981,-2.4515379904,0.0,-0.072486439,GGA,P321,A9B2C4_hP45_150_e4g_c2d_efg:O-Ru-Sr,45.0,"Invalid WP multiplicities - A9B2C4_hP45_150_3e23g_2c3d_3e3f3g:O-Ru-Sr, expected Sr36Ru10O147 to be Sr4Ru2O9" +mp-33797,Sr(RuO3)2,-7.2949645233,-1.7484722121,0.1647957117,0.0881314308,GGA,Imm2,A6B2C_oI18_44_abe_c_a:O-Ru-Sr,9.0,"Invalid WP multiplicities - A6B2C_oI18_44_ab2e_c_a:O-Ru-Sr, expected Sr(RuO5)2 to be Sr(RuO3)2" +mp-1079784,Sr(RuO3)2,-7.459760235,-1.9132679238,0.0,-0.0766642808,GGA,P-31m,A6B2C_hP9_162_k_c_b:O-Ru-Sr,18.0,A6B2C_hP9_162_k_c_b:O-Ru-Sr +mp-685386,Sr8Ru7O24,-7.2408330318,-2.1855177888,0.0419670901,0.0419670901,GGA,P4/m,A24B7C8_tP117_83_6g6hjk5l_abc4g5h_6i:O-Ru-Sr,117.0,"Invalid WP multiplicities - A24B7C8_tP117_83_12g11h4j3k39l_abc8g10h_23i:O-Ru-Sr, expected Sr92Ru39O386 to be Sr8Ru7O24" +mp-559909,Sr3Ru2O7,-7.2153159642,-2.3616404293,0.0,-0.0041063185,GGA,Ccce,A7B2C3_oC48_68_aei_e_be:O-Ru-Sr,24.0,"Invalid WP multiplicities - A7B2C3_oC48_68_2a3e5i_e_2b2e:O-Ru-Sr, expected Sr3RuO14 to be Sr3Ru2O7" +mp-5868,Sr3Ru2O7,-7.2041238325,-2.3504482976,0.0111921317,0.0070858131,GGA,I4/mmm,A7B2C3_tI24_139_aeg_e_be:O-Ru-Sr,12.0,"Invalid WP multiplicities - A7B2C3_tI24_139_a2eg_e_be:O-Ru-Sr, expected Sr3Ru2O9 to be Sr3Ru2O7" +mp-675446,NaRuO2,-6.5123106725,-1.3897343585,0.1237375659,0.1237375659,GGA,P1,AB2C_aP8_1_2a_4a_2a:Na-O-Ru,8.0,AB2C_aP8_1_2a_4a_2a:Na-O-Ru +mp-7240,NaRuO2,-6.5407347425,-1.4181584285,0.0953134959,0.0953134959,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Ru,4.0,AB2C_hR12_166_a_c_b:Na-O-Ru +mp-1223388,Na11(Ru4O9)4,-6.9492519484,-1.5362517504,0.0069462917,0.0069462917,GGA,P1,A11B36C16_aP63_1_11a_36a_16a:Na-O-Ru,63.0,A11B36C16_aP63_1_11a_36a_16a:Na-O-Ru +mp-1232402,Na2RuO7,-5.439322143,-0.7846947324,0.3900531012,0.3900531012,GGA,P-1,A2B7C_aP20_2_2i_7i_i:Na-O-Ru,20.0,"Invalid WP multiplicities - A2B7C_aP20_2_3i_13i_i:Na-O-Ru, expected Na3RuO13 to be Na2RuO7" +mp-758162,Sr16(Ru5O16)3,-7.2905838913,-2.18186248,0.0276361011,0.0276361011,GGA,P-1,A48B15C16_aP79_2_24i_abcdefg4i_8i:O-Ru-Sr,79.0,"Invalid WP multiplicities - A48B15C16_aP79_2_47i_abcdefg7i_13i:O-Ru-Sr, expected Sr26Ru21O94 to be Sr16(Ru5O16)3" +mp-675618,Sr2RuO6,-6.1406390372,-1.4369144023,0.6425222994,0.6425222994,GGA,P2_1/c,A6BC2_mP18_14_3e_a_e:O-Ru-Sr,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_11e_a_e:O-Ru-Sr, expected Sr2RuO22 to be Sr2RuO6" +mp-1210521,Na(RuO2)4,-7.4351913008,-1.4356801359,0.0397412907,0.0397412907,GGA,I4/m,AB8C4_tI26_87_a_2h_h:Na-O-Ru,13.0,AB8C4_tI26_87_a_2h_h:Na-O-Ru +mp-6233,NaSr3RuO6,-6.66240988,-2.5400880199,0.0,-0.0764562989,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Na-O-Ru-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Na-O-Ru-Sr +mp-766284,Sr4(RuO4)3,-7.1395928708,-2.1953062409,0.031635729,0.031635729,GGA,Pnma,A12B3C4_oP76_62_ab4c3d_3c_4c:O-Ru-Sr,76.0,"Invalid WP multiplicities - A12B3C4_oP76_62_2a2b15c12d_9c_15c:O-Ru-Sr, expected Sr15Ru9O43 to be Sr4(RuO4)3" +mp-1193175,Na(RuO2)2,-7.1443768375,-1.478936092,0.0109807623,0.0109807623,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Na-O-Ru,28.0,AB4C2_oP28_62_c_4c_2c:Na-O-Ru +mp-676309,Sr11Ru10O33,-7.260775925,-2.1761614647,0.0414559314,0.0414559314,GGA,P-1,A33B10C11_aP54_2_abe15i_5i_h5i:O-Ru-Sr,54.0,"Invalid WP multiplicities - A33B10C11_aP54_2_abe30i_9i_h10i:O-Ru-Sr, expected Sr7(Ru2O7)3 to be Sr11Ru10O33" +mp-1198628,Na3RuO4,-5.8472800347,-1.7186883765,0.0,-0.094665382,GGA,C2/m,A3B4C_mC64_12_abfghj_2i3j_hi:Na-O-Ru,32.0,A3B4C_mC64_12_abeghj_2i3j_hi:Na-O-Ru +mp-977128,NaRu3,-6.469408855,0.8170243734,0.8170243734,0.8170243734,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Ru,4.0,AB3_tI8_139_a_bd:Na-Ru +mp-29683,Sr2Ru3O10,-7.2901611287,-1.9122223527,0.0395193184,0.0395193184,GGA,C2/m,A10B3C2_mC30_12_3ij_ah_i:O-Ru-Sr,15.0,"Invalid WP multiplicities - A10B3C2_mC30_12_4ij_ah_i:O-Ru-Sr, expected Sr2(RuO4)3 to be Sr2Ru3O10" +mp-37255,Na2RuO3,-6.1132549192,-1.6533350424000002,0.0,-0.0040695332,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-O-Ru,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i3j_h:Na-O-Ru, expected Na2RuO8 to be Na2RuO3" +mp-556058,Na2RuO3,-6.0868150604,-1.6268951836,0.0264398587,0.0223703256,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Ru,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e2f_10f_4e:Na-O-Ru, expected Na2RuO5 to be Na2RuO3" +mp-611033,SrRuO3,-6.8430263375,-1.6822339121,0.5097280285,0.499500797,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ru-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Ru-Sr +mp-22390,SrRuO3,-7.352754366,-2.1919619406,0.0,-0.0102272315,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ru-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Ru-Sr +mp-1179112,SrRuO3,-6.8561200505,-1.6953276251,0.4966343155,0.486407084,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ru-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Ru-Sr +mp-1192792,SrRuO3,-3.1924812135,1.9683112119,4.1602731525,4.150045921,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ru-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Ru-Sr +mp-1079352,SrRuO3,-7.309746427,-2.1489540016,0.043007939,0.0327807075,GGA,Cmcm,A3BC_oC20_63_cf_a_c:O-Ru-Sr,10.0,A3BC_oC20_63_cf_a_c:O-Ru-Sr +mp-34212,SrRuO3,-7.347824646,-2.1870322206,0.00492972,-0.0052975115,GGA,Imma,A3BC_oI20_74_eg_a_e:O-Ru-Sr,10.0,"Invalid WP multiplicities - A3BC_oI20_74_2e3g_a_e:O-Ru-Sr, expected SrRuO8 to be SrRuO3" +mp-22534,SrRuO3,-6.84201519,-1.6812227646,0.5107391760000001,0.5005119445,GGA,P4/mmm,A3BC_tP5_123_ce_b_a:O-Ru-Sr,5.0,A3BC_tP5_123_ce_b_a:O-Ru-Sr +mp-4525,SrRuO3,-7.342385074,-2.1815926486,0.010369292,0.0001420605,GGA,I4/mcm,A3BC_tI20_140_ah_c_b:O-Ru-Sr,10.0,A3BC_tI20_140_ah_c_b:O-Ru-Sr +mp-4346,SrRuO3,-7.311415368,-2.1506229426,0.041338998,0.0311117665,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ru-Sr,5.0,A3BC_cP5_221_c_b_a:O-Ru-Sr +mp-542850,Na2RuO4,-6.2076694727,-1.678211191,0.0,-0.0870696858,GGA,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Na-O-Ru,56.0,A2B4C_mP56_14_4e_8e_2e:Na-O-Ru +mp-680680,Sr4Ru3O10,-7.2533666144,-2.3093625823,0.0023724091,0.0023724091,GGA,Cmce,A10B3C4_oC68_64_2dfg_ad_2d:O-Ru-Sr,34.0,"Invalid WP multiplicities - A10B3C4_oC68_64_8d4f7g_2a2d_4d:O-Ru-Sr, expected Sr4Ru3O26 to be Sr4Ru3O10" +mp-1188363,Na3Ru,-2.43718589,0.8733087151000001,0.8733087151000001,0.8733087151000001,GGA,P4_2/mnm,A3B_tP16_136_fi_g:Na-Ru,16.0,A3B_tP16_136_fi_g:Na-Ru +mp-1186076,Na3Ru,-2.468430675,0.8420639301,0.8420639301,0.8420639301,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-Ru,4.0,A3B_tI8_139_ad_b:Na-Ru +mp-1186082,Na3Ru,-2.4766341275,0.8338604776,0.8338604776,0.8338604776,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Ru,8.0,A3B_hP8_194_h_c:Na-Ru +mp-4596,Sr2RuO4,-7.1088284357,-2.4745221083,0.0,-0.0105835986,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:O-Ru-Sr,7.0,A4BC2_tI14_139_ce_a_e:O-Ru-Sr +mp-977107,NaRuO3,-6.610622938,-1.5232241446,0.0890767174,0.0890767174,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Ru,5.0,AB3C_cP5_221_a_c_b:Na-O-Ru +mp-1215514,YbMnCuP2,-5.7845374540000005,-0.6590504029,0.0,-0.1143976818,GGA,P3m1,ABC2D_hP5_156_a_b_ab_c:Cu-Mn-P-Yb,,ABC2D_hP5_156_a_b_ab_c:Cu-Mn-P-Yb +mp-1191843,Yb2Mn12P7,-7.851830759,-0.6653299204,0.0,-0.1501259483,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Yb,,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Yb +mp-1026564,CsMg14Ga,-1.4824588569,0.1630048365,0.210346459,0.210346459,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-Ga-Mg, expected CsMg26Ga to be CsMg14Ga" +mp-1225927,CsMgGaF6,-5.2196398167,-3.3315673445,0.0,-0.0353548843,GGA,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Ga-Mg,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Ga-Mg, expected CsMgGaF12 to be CsMgGaF6" +mp-1016475,CsMg6Ga,-1.4560589562,0.2345883806,0.3025910233,0.3025910233,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Ga-Mg,8.0,ABC6_oC16_38_a_b_abde:Cs-Ga-Mg +mp-1016572,CsMg6Ga,-1.54786038,0.1427869568,0.2107895996,0.2107895996,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-Ga-Mg,8.0,ABC6_oC16_38_a_a_2bde:Cs-Ga-Mg +mp-9785,BaHo2PdO5,-7.6255391067,-3.0703037682,0.0197354651,0.0197354651,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Ho-O-Pd,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-Ho-O-Pd +mp-1211143,LiEuP,-6.8716055042,-1.0118631131,0.0,-0.2405132781,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Li-P,12.0,ABC_oP12_62_c_c_c:Eu-Li-P +mp-20742,EuPSe3,-6.4449180005,-1.2133102526,0.0,-0.0840944785,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Eu-P-Se,20.0,ABC3_mP20_14_e_e_3e:Eu-P-Se +mp-777825,LiEuPSe4,-5.6730585943000005,-1.1640767251,0.0160068348,0.0160068348,GGA,Ama2,ABCD4_oC28_40_a_a_b_2bc:Eu-Li-P-Se,14.0,"Invalid WP multiplicities - ABCD4_oC28_40_a_a_b_4b3c:Eu-Li-P-Se, expected LiEuPSe10 to be LiEuPSe4" +mp-2217542,Mg(RuO4)2,-6.9037850155000005,-1.4744582136,0.086294706,0.086294706,GGA,P1,AB8C2_aP11_1_a_8a_2a:Mg-O-Ru,11.0,AB8C2_aP11_1_a_8a_2a:Mg-O-Ru +mp-2217655,Mg(RuO4)2,-6.9079857491,-1.4786589473,0.0820939723,0.0820939723,GGA,P1,AB8C2_aP11_1_a_8a_2a:Mg-O-Ru,11.0,AB8C2_aP11_1_a_8a_2a:Mg-O-Ru +mp-776168,AgRuO3,-6.386093229,-0.9966882936,0.0572183593,0.0572183593,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Ag-O-Ru,20.0,AB3C_cF80_227_c_f_d:Ag-O-Ru +mp-1016829,MgRuO3,-6.605691234,-1.4627414892,0.633980687,0.633980687,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Ru,5.0,AB3C_cP5_221_a_c_b:Mg-O-Ru +mp-761035,AgRuO4,-6.3303859,-1.0147670019,0.0,-0.0086388372,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ag-O-Ru,12.0,AB4C_tI24_88_a_f_b:Ag-O-Ru +mp-2220472,MgAg4(RuO3)4,-6.2064762048,-0.9975057877,0.2580725413,0.2580725413,GGA,Imm2,A4BC12D4_oI42_44_cd_a_2a2b2e_cd:Ag-Mg-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Mg-O-Ru, expected MgAg4(RuO9)4 to be MgAg4(RuO3)4" +mp-1233247,MgAg4(RuO3)4,-6.3091319514,-1.1001615344,0.1554167947,0.1554167947,GGA,R3m,A4BC12D4_hR63_160_ab_a_4b_ab:Ag-Mg-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_hR63_160_ab_a_8b_ab:Ag-Mg-O-Ru, expected MgAg4(RuO6)4 to be MgAg4(RuO3)4" +mp-1233345,MgAg4(RuO3)4,-6.2064450005,-0.9974745834,0.2581037456,0.2581037456,GGA,F-43m,A4BC12D4_cF84_216_e_a_fg_e:Ag-Mg-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Mg-O-Ru, expected MgAg4(RuO9)4 to be MgAg4(RuO3)4" +mp-1234665,MgAg4(RuO3)4,-6.2306972819,-1.0217268648,0.2338514642,0.2338514642,GGA,F-43m,A4BC12D4_cF84_216_e_a_fg_e:Ag-Mg-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Mg-O-Ru, expected MgAg4(RuO9)4 to be MgAg4(RuO3)4" +mp-1195464,Ag3RuO4,-5.3959842019,-0.7011310275,0.0786777827,0.0786777827,GGA,C2/c,A3B4C_mC128_15_ab2e4f_8f_2f:Ag-O-Ru,64.0,A3B4C_mC128_15_ab2e4f_8f_2f:Ag-O-Ru +mp-510453,Ag3RuO4,-5.4091511744,-0.714298,0.0655108102,0.0655108102,GGA,P4_122,A3B4C_tP32_91_a2b_2d_a:Ag-O-Ru,32.0,A3B4C_tP32_91_a2b_2d_a:Ag-O-Ru +mp-27375,Tl4HgI6,-2.4827167168,-0.7923120758000001,0.0229708505,0.0229708505,GGA,P4/mnc,AB6C4_tP22_128_a_eh_g:Hg-I-Tl,22.0,AB6C4_tP22_128_a_eh_g:Hg-I-Tl +mp-1114194,Rb2TlHgI6,-2.3686706,-1.0219116243,0.0761418368,0.0761418368,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Tl +mp-714664,Rb2NaAl3F12,-5.7181715931,-3.6371677854,0.0123881406,0.0009771127,GGA,P1,A3B12CD2_aP36_1_6a_24a_2a_4a:Al-F-Na-Rb,36.0,"Invalid WP multiplicities - A3B12CD2_mP36_6_ab2c_4a4b12c_ab_2a2b:Al-F-Na-Rb, expected Rb2NaAl3F16 to be Rb2NaAl3F12" +mp-542451,Rb2NaAl3F12,-5.7305597336,-3.6495559259,0.0,-0.0114110278,GGA,P2_1/m,A3B12CD2_mP36_11_ade_4e4f_e_2e:Al-F-Na-Rb,36.0,A3B12CD2_mP36_11_abe_4e4f_e_2e:Al-F-Na-Rb +mp-1110627,RbNa2AlF6,-5.078674857,-3.1946714276,0.2197037662,0.2197037662,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-Na-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-Na-Rb +mp-1079583,Rb2NaAlF6,-5.283686186,-3.4338818787,0.0,-0.0375581052,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Na-Rb +mp-560570,Rb2NaAl6F21,-5.9368799657,-3.7402764078,0.0,-0.002394951,GGA,C2,A6B21CD2_mC60_5_3c_a10c_b_c:Al-F-Na-Rb,30.0,"Invalid WP multiplicities - A6B21CD2_mC60_5_4c_a18c_b_c:Al-F-Na-Rb, expected Rb2NaAl8F37 to be Rb2NaAl6F21" +mp-1173645,Pr8Ni4O17,-7.8182925507,-2.8023787282,0.1292153168,0.1292153168,GGA+U,P1,A4B17C8_aP29_1_4a_17a_8a:Ni-O-Pr,29.0,A4B17C8_aP29_1_4a_17a_8a:Ni-O-Pr +mp-1378393,Pr(NiO3)2,-6.4102406706,-1.2967616281,0.3138865693,0.3138865693,GGA+U,P1,A2B6C_aP18_1_4a_12a_2a:Ni-O-Pr,18.0,A2B6C_aP18_1_4a_12a_2a:Ni-O-Pr +mp-22280,PrNiO3,-7.490565825,-2.4103441112,0.0,-0.0535914537,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Pr +mp-19170,PrNiO3,-7.486645718,-2.4064240042,0.003920107,-0.0496713468,GGA+U,R-3c,AB3C_hR30_167_b_e_a:Ni-O-Pr,10.0,AB3C_hR30_167_b_e_a:Ni-O-Pr +mp-1173634,Pr10Ni5O22,-7.4638629454,-2.4493523347,0.4339510579,0.4339510579,GGA+U,P1,A5B22C10_aP37_1_5a_22a_10a:Ni-O-Pr,37.0,A5B22C10_aP37_1_5a_22a_10a:Ni-O-Pr +mp-19434,Pr2NiO4,-7.9744314943,-2.9560453464,0.0606322291,0.0606322291,GGA+U,Cmce,AB4C2_oC28_64_a_ef_f:Ni-O-Pr,14.0,AB4C2_oC28_64_a_ef_f:Ni-O-Pr +mp-505093,Pr2NiO4,-7.9769680046,-2.9585818568,0.0580957188,0.0580957188,GGA+U,P4_2/ncm,AB4C2_tP28_138_c_aei_i:Ni-O-Pr,28.0,AB4C2_tP28_138_c_aei_i:Ni-O-Pr +mp-18839,Pr2NiO4,-7.9512936271,-2.9329074793,0.0837700963,0.0837700963,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Ni-O-Pr,7.0,AB4C2_tI14_139_a_ce_e:Ni-O-Pr +mp-1209764,Pr2NiPtO6,-7.579631653,-2.4703102753,0.0,-0.0804005766,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ni-O-Pr-Pt,20.0,AB6C2D_mP20_14_a_3e_e_b:Ni-O-Pr-Pt +mp-11694,Cs2Pd3Se4,-4.4331529511,-0.9538089417,0.0,-0.1754902013,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Pd-Se,9.0,A2B3C4_oF36_69_g_ac_n:Cs-Pd-Se +mp-1205610,Cs2P2Pd,-4.073393462,-0.5139351485,0.0,-0.1302560121,GGA,Cmcm,A2B2C_oC20_63_2c_g_a:Cs-P-Pd,10.0,A2B2C_oC20_63_2c_g_a:Cs-P-Pd +mp-31285,Cs2PdSe8,-4.0198874923,-0.84370764,0.0,-0.0276932457,GGA,I4_1/acd,A2BC8_tI88_142_f_a_2g:Cs-Pd-Se,44.0,"Invalid WP multiplicities - A2BC8_tI88_142_f_a_3g:Cs-Pd-Se, expected Cs2PdSe12 to be Cs2PdSe8" +mp-866688,Cs4P2PdSe8,-4.164328923,-0.9939697141,0.0,-0.0099889242,GGA,P2_1/c,A4B2CD8_mP30_14_2e_e_a_4e:Cs-P-Pd-Se,30.0,A4B2CD8_mP30_14_2e_e_a_4e:Cs-P-Pd-Se +mp-1199790,Cs10P4PdSe16,-4.0333787411,-1.0746142508,0.0,-0.0097793232,GGA,P4_2/mmc,A10B4CD16_tP62_131_ijmn_kl_c_op2q:Cs-P-Pd-Se,62.0,A10B4CD16_tP62_131_ijmn_kl_c_op2q:Cs-P-Pd-Se +mp-3123,PPdSe,-5.2372693504,-0.5409040856,0.0,-0.0278113425,GGA,Pbcn,ABC_oP24_60_d_d_d:P-Pd-Se,24.0,ABC_oP24_60_d_d_d:P-Pd-Se +mp-774250,MnAlO3,-8.224187442,-2.6746559908,0.0596548579,0.0596548579,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Al-Mn-O,10.0,ABC3_aP10_2_i_i_3i:Al-Mn-O +mp-1405591,MnAlO3,-3.318865026,2.2306664252,4.9649772739,4.9649772739,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Al-Mn-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Al-Mn-O, expected MnAlO5 to be MnAlO3" +mp-1258775,MnAlO3,-8.0937442393,-2.5442127882000003,0.1900980606,0.1900980606,GGA+U,Cmc2_1,ABC3_oC60_36_ab_ab_3a3b:Al-Mn-O,30.0,"Invalid WP multiplicities - ABC3_oC60_36_ab_2a3b_5a7b:Al-Mn-O, expected Mn8Al3O19 to be MnAlO3" +mp-1368992,MnAlO3,-8.122675318,-2.5731438668,0.1611669819,0.1611669819,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Al-Mn-O +mp-1260288,MnAlO3,-8.00080468,-2.4512732288,0.2830376199,0.2830376199,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Mn-O +mp-1444809,MnAlO3,-7.999472666,-2.4499412148,0.2843696339,0.2843696339,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Mn-O,10.0,ABC3_hP10_194_a_c_bf:Al-Mn-O +mp-1399724,MnAlO3,-6.980929322,-1.4313978708,1.3029129779,1.3029129779,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Al-Mn-O,5.0,ABC3_cP5_221_a_b_c:Al-Mn-O +mp-755882,MnAl2O4,-8.2541801464,-3.0484770326,0.0,-0.0347224314,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Mn-O,14.0,A2BC4_cF56_227_c_b_e:Al-Mn-O +mp-1214919,Al(Bi3O5)4,-6.2552812733,-1.7472443153,0.0411373884,0.0411373884,GGA,I23,AB12C20_cI66_197_a_f_2cf:Al-Bi-O,33.0,AB12C20_cI66_197_a_f_2cf:Al-Bi-O +mp-1262076,Al2Bi2O7,-6.2674617505,-1.740284396,0.6663137843,0.6663137843,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Bi-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Bi-O +mp-1262087,Al(BiO3)3,-6.1903330042,-1.591314418,0.1113109658,0.1113109658,GGA,Cc,AB3C9_mC52_9_a_3a_9a:Al-Bi-O,26.0,"Invalid WP multiplicities - AB3C9_mC52_9_a_6a_18a:Al-Bi-O, expected Al(BiO3)6 to be Al(BiO3)3" +mp-1386275,Al(BiO3)3,-5.8176110285,-1.2185924422,0.4840329415,0.4840329415,GGA,P4/mmm,AB3C9_tP13_123_b_ch_aegi:Al-Bi-O,13.0,"Invalid WP multiplicities - AB3C9_tP13_123_b_ch_a2eg2i:Al-Bi-O, expected Al(BiO5)3 to be Al(BiO3)3" +mp-1255912,Mn2Al2O7,-7.7504380441,-2.2557104784,0.3180121401,0.3180121401,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Mn-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Mn-O +mp-23426,Al4Bi2O9,-7.3441534597,-2.8652547943,0.0,-0.0262756503,GGA,Pbam,A4B2C9_oP30_55_fg_h_aghi:Al-Bi-O,30.0,"Invalid WP multiplicities - A4B2C9_oP30_55_fg_h_agh2i:Al-Bi-O, expected Al4Bi2O13 to be Al4Bi2O9" +mp-1248282,Al2(BiO3)3,-6.5881047,-2.0500463106,0.1573795559,0.1573795559,GGA,Cc,A2B3C9_mC56_9_2a_3a_9a:Al-Bi-O,28.0,"Invalid WP multiplicities - A2B3C9_mC56_9_3a_6a_18a:Al-Bi-O, expected Al(BiO3)2 to be Al2(BiO3)3" +mp-1400159,Al2(BiO3)3,-6.4108855357,-1.8728271463,0.3345987202,0.3345987202,GGA,P4/mmm,A2B3C9_tP14_123_g_ch_aegi:Al-Bi-O,14.0,"Invalid WP multiplicities - A2B3C9_tP14_123_g_c2h_a2e2g2i:Al-Bi-O, expected Al2Bi5O17 to be Al2(BiO3)3" +mp-1096811,Al(BiO2)2,-6.3279510711,-1.8689069375,0.3586795977,0.3586795977,GGA,P4/ncc,AB2C4_tP28_130_c_f_g:Al-Bi-O,28.0,AB2C4_tP28_130_c_f_g:Al-Bi-O +mp-775763,AlBiO3,-6.9714503015,-2.4862240828,0.0782941788,0.0782941788,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Al-Bi-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_11e:Al-Bi-O, expected AlBiO11 to be AlBiO3" +mp-1344602,AlBiO3,-6.8149549075,-2.3297286887,0.2347895728,0.2347895728,GGA,Pnma,ABC3_oP20_62_c_a_cd:Al-Bi-O,20.0,ABC3_oP20_62_c_a_cd:Al-Bi-O +mp-551918,AlBiO3,-6.9964094160000005,-2.5111831972000003,0.0533350643,0.0533350643,GGA,R3c,ABC3_hR30_161_a_a_b:Al-Bi-O,10.0,ABC3_hR30_161_a_a_b:Al-Bi-O +mp-1376082,AlBiO3,-6.5320722103,-2.0468459916,0.5176722699,0.5176722699,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Bi-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Bi-O +mp-1392353,AlBiO3,-6.184146843,-1.6989206242,0.8655976373000001,0.8655976373000001,GGA,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Bi-O,10.0,ABC3_hP10_194_a_c_bf:Al-Bi-O +mp-23080,AlBiO3,-6.928135246,-2.4429090272,0.1216092343,0.1216092343,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Bi-O,5.0,ABC3_cP5_221_b_a_c:Al-Bi-O +mp-1413511,AlBiO3,-5.384721586,-0.8994953672,1.6650228943,1.6650228943,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-Bi-O,5.0,ABC3_cP5_221_a_b_c:Al-Bi-O +mp-1210873,MnAlBiO5,-7.4760633116,-2.2908728355,0.032053986,0.032053986,GGA+U,Pbam,ABCD5_oP32_55_g_h_e_fghi:Al-Bi-Mn-O,32.0,ABCD5_oP32_55_g_h_e_fghi:Al-Bi-Mn-O +mp-1334368,Al10(Bi2O9)3,-6.9464674674,-2.4334607632000003,0.2325246165,0.2325246165,GGA,Pbam,A10B6C27_oP86_55_f2gi_3h_a4g3h3i:Al-Bi-O,86.0,"Invalid WP multiplicities - A10B6C27_oP86_55_4f6g4i_11h_2a13g11h23i:Al-Bi-O, expected Al18Bi11O71 to be Al10(Bi2O9)3" +mp-1045021,Mn3AlO6,-8.3720237598,-2.2808483624,0.0936486719,0.0936486719,GGA+U,C2/m,AB3C6_mC80_12_2i_ade2ij_6i3j:Al-Mn-O,40.0,"Invalid WP multiplicities - AB3C6_mC80_12_4i_ac2e2i2j_12i12j:Al-Mn-O, expected Mn9Al4O36 to be Mn3AlO6" +mp-768538,Mn2AlO4,-8.4636343389,-2.4841541591,0.06565249,0.06565249,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:Al-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_2cd:Al-Mn-O, expected Mn4AlO4 to be Mn2AlO4" +mp-1258376,Mn2AlO4,-8.0811332536,-2.1016530737,0.4481535754,0.4481535754,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Al-Mn-O,14.0,AB2C4_tI28_88_a_d_f:Al-Mn-O +mp-1011710,Mn2AlO4,-8.4119452221,-2.4324650423,0.1173416068,0.1173416068,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Al-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_hR42_166_c_a2d_2c2h:Al-Mn-O, expected Mn7Al2O16 to be Mn2AlO4" +mp-1402814,Mn2AlO4,-8.4082140893,-2.4287339094,0.1210727396,0.1210727396,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Mn-O,14.0,AB2C4_cF56_227_a_d_e:Al-Mn-O +mp-1214970,Ag6Ge(S2Br)2,-3.6508294746,-0.4761971667,0.0049289272,0.0049289272,GGA,Pnma,A6B2CD4_oP52_62_ac2d_2c_c_2cd:Ag-Br-Ge-S,52.0,A6B2CD4_oP52_62_ac2d_2c_c_2cd:Ag-Br-Ge-S +mp-540792,Ge2S3Br2,-4.373222595,-0.8358708849,0.0,-0.0061097837,GGA,P-1,A2B2C3_aP28_2_4i_4i_6i:Br-Ge-S,28.0,A2B2C3_aP28_2_4i_4i_6i:Br-Ge-S +mp-1215080,Ag12SBr,-1.2862202621,1.5480761833,1.6934424418,1.6934424418,GGA,Pm-3m,A12BC_cP14_221_h_a_b:Ag-Br-S,14.0,A12BC_cP14_221_h_a_b:Ag-Br-S +mp-1229116,Ag3SBr,-3.200961334,-0.3635320926,0.043493431,0.043493431,GGA,Pm,A3BC_mP5_6_2ab_b_a:Ag-Br-S,5.0,A3BC_mP5_6_2ab_b_a:Ag-Br-S +mp-36600,Ag3SBr,-3.196363589,-0.3589343476,0.048091176,0.048091176,GGA,Fmm2,A3BC_oF40_42_2abc_d_c:Ag-Br-S,10.0,"Invalid WP multiplicities - A3BC_oF40_42_2a2b2c_d_c:Ag-Br-S, expected Ag5SBr to be Ag3SBr" +mp-1105645,Ag3SBr,-3.1663475685,-0.3289183271,0.0781071965,0.0781071965,GGA,Cmcm,A3BC_oC40_63_efg_2c_d:Ag-Br-S,20.0,A3BC_oC40_63_efg_2c_d:Ag-Br-S +mp-2237154,Cr(GeO3)2,-7.3711355467,-1.9734427192,0.0946876754,0.0946876754,GGA+U,P-1,AB2C6_aP18_2_i_2i_6i:Cr-Ge-O,18.0,"Invalid WP multiplicities - AB2C6_aP18_2_i_4i_12i:Cr-Ge-O, expected Cr(GeO3)4 to be Cr(GeO3)2" +mp-1359941,Cr(GeO3)2,-7.3561443403,-1.9584515128,0.1096788818,0.1096788818,GGA+U,P2_1/c,AB2C6_mP36_14_e_2e_6e:Cr-Ge-O,36.0,AB2C6_mP36_14_e_2e_6e:Cr-Ge-O +mp-1341686,Cr(GeO3)2,-7.3634877856,-1.9657949581,0.1023354365,0.1023354365,GGA+U,C2/c,AB2C6_mC36_15_e_f_3f:Cr-Ge-O,18.0,AB2C6_mC36_15_e_f_3f:Cr-Ge-O +mp-1183712,CrGeO3,-7.37115302,-1.5479247282,0.5708153227,0.5708153227,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Cr-Ge-O,5.0,ABC3_cP5_221_a_b_c:Cr-Ge-O +mp-1329713,Cr2(GeO4)3,-6.9456666128,-1.5024052575,0.3309129233,0.3309129233,GGA+U,Ia-3d,A2B3C12_cI136_230_a_d_h:Cr-Ge-O,68.0,A2B3C12_cI136_230_a_d_h:Cr-Ge-O +mp-1209164,SmCr2O2,-7.8051180015,-1.021506302,1.3233440911,1.3233440911,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Sm,20.0,A2B2C_tI40_141_h_h_c:Cr-O-Sm +mp-1105788,SmCrO3,-9.0141752835,-3.1718353358,0.0,-0.0568018414,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Sm +mp-19257,SmCrO3,-8.816893528,-2.9745535803000003,0.1972817555,0.1404799141,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Sm,5.0,AB3C_cP5_221_b_c_a:Cr-O-Sm +mp-1099951,Sm2Cr2O5,-8.7588023144,-2.8169455626,0.2478798423,0.2478798423,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Cr-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Cr-O-Sm +mp-13009,SmCrGe3,-6.03225181,-0.384108376,0.0422902467,0.0422902467,GGA,P6_3/mmc,AB3C_hP10_194_a_h_c:Cr-Ge-Sm,10.0,AB3C_hP10_194_a_h_c:Cr-Ge-Sm +mp-1208812,SmCrGeO5,-8.2876947684,-2.8216816414,0.0,-0.0109400633,GGA+U,Pbam,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Sm,32.0,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Sm +mp-18956,SmCrO4,-8.4491215767,-2.756056835,0.0,-0.1078319414,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Sm,12.0,AB4C_tI24_141_a_h_b:Cr-O-Sm +mp-1213937,Cr5Cu(GeO6)2,-8.1938742077,-2.1453359945,0.4703391185,0.4703391185,GGA+U,Cmcm,A5BC2D12_oC80_63_aeg_c_g_f3gh:Cr-Cu-Ge-O,40.0,A5BC2D12_oC80_63_aeg_c_g_f3gh:Cr-Cu-Ge-O +mp-557260,RbSb2F7,-5.0760192907,-2.8141303582,0.0,-0.0592184119,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Rb-Sb,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_26e_e_2e:F-Rb-Sb, expected RbSb2F26 to be RbSb2F7" +mp-1237359,Rb3SbF6,-4.6466925,-2.7927447737,0.0668581208,0.0668581208,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-Rb-Sb,10.0,A6B3C_aP10_2_3i_bcd_a:F-Rb-Sb +mp-1209581,Rb3SbF6,-4.650144191,-2.7961964647,0.0634064298,0.0634064298,GGA,C2/m,A6B3C_mC20_12_ij_ce_a:F-Rb-Sb,10.0,A6B3C_aP10_2_3i_bcd_a:F-Rb-Sb +mp-1113923,Rb3SbF6,-4.691013317,-2.8370655908,0.0225373038,0.0225373038,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Sb,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Sb +mp-1112513,Cs2RbSbF6,-4.712998196,-2.8760768098,0.035102778,0.035102778,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Sb +mp-1209567,Rb2SbF5,-4.8118020272,-2.8558689994,0.0,-0.0190855973,GGA,Pnma,A5B2C_oP32_62_a2cd_2c_c:F-Rb-Sb,32.0,A5B2C_oP32_62_a2cd_2c_c:F-Rb-Sb +mp-1196297,CsRb2Sb4F15,-5.0235871536,-2.8397389723,0.0,-0.0037681798,GGA,P2_1/c,AB15C2D4_mP88_14_e_15e_2e_4e:Cs-F-Rb-Sb,88.0,AB15C2D4_mP88_14_e_15e_2e_4e:Cs-F-Rb-Sb +mp-9821,RbSbF6,-4.98200423,-2.9097030903,0.0,-0.2595857047,GGA,R-3,A6BC_hR24_148_f_a_b:F-Rb-Sb,8.0,A6BC_hR24_148_f_a_b:F-Rb-Sb +mp-1111454,CsRb2SbF6,-4.646727084,-2.8012925278000003,0.0840987134,0.0840987134,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Sb +mp-1209744,Rb3SbF12,-3.9374150544,-2.0618931127,0.3007289181,0.3007289181,GGA,C2/m,A12B3C_mC32_12_3j_ce_b:F-Rb-Sb,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_c:F-Rb-Sb, expected Rb3SbF40 to be Rb3SbF12" +mp-1201125,Eu4Lu(SnS4)3,-6.9825771670000005,-1.6218235826,0.0,-0.0306273252,GGA,Pmc2_1,A4BC12D3_oP40_26_4a_a_5a7b_3b:Eu-Lu-S-Sn,40.0,A4BC12D3_oP40_26_4a_a_5a7b_3b:Eu-Lu-S-Sn +mp-34255,Eu(LuS2)2,-7.4268612443,-2.3061894861,0.0595334957,0.0595334957,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Lu-S,14.0,AB2C4_tI28_122_a_d_e:Eu-Lu-S +mp-1185564,CsYbO3,-5.064260542,-1.6092451848,0.431311846,0.431311846,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Yb,,AB3C_cP5_221_a_c_b:Cs-O-Yb +mp-1213343,CsYb(MoO4)2,-7.5956718779,-2.2873534977,0.0800120684,0.0800120684,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Yb,,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Yb +mp-1213143,CsYb(MoO4)2,-7.5488672517,-2.2405488715,0.1268166947,0.1268166947,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Yb,,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Yb +mp-1213408,CsYb(MoO4)2,-7.5976170021,-2.2892986219,0.0780669443,0.0780669443,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Yb,,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Yb +mp-1220083,Ni9(SnS)2,-5.5846258762000005,-0.3297586789,0.0041476931,0.0041476931,GGA,I-4m2,A9B2C2_tI26_119_a3ef_f_f:Ni-S-Sn,13.0,"Invalid WP multiplicities - A9B2C2_tI26_119_a4ef_f_f:Ni-S-Sn, expected Ni11(SnS)2 to be Ni9(SnS)2" +mp-1195808,Ag4Sn3S8,-4.2725202422,-0.5091510079,0.0079103718,0.0079103718,GGA,P4_132,A4B8C3_cP60_213_ad_ce_d:Ag-S-Sn,60.0,A4B8C3_cP60_213_ad_ce_d:Ag-S-Sn +mp-15645,Ag8SnS6,-3.7548060002,-0.322224728,0.0018171545,0.0018171545,GGA,Pna2_1,A8B6C_oP60_33_8a_6a_a:Ag-S-Sn,60.0,"Invalid WP multiplicities - A8B6C_oP60_33_15a_6a_a:Ag-S-Sn, expected Ag15SnS6 to be Ag8SnS6" +mp-5528,Ni3(SnS)2,-5.32708266,-0.5224464480000001,0.0,-0.0281620891,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Ni-S-Sn,7.0,A3B2C2_hR21_166_d_c_ab:Ni-S-Sn +mp-530464,Ag5(Sn3S8)2,-4.3771333548,-0.5103404283,0.0262501936,0.0262501936,GGA,C222_1,A5B16C6_oC108_20_2abc_8c_ab2c:Ag-S-Sn,54.0,"Invalid WP multiplicities - A5B16C6_oC108_20_2a4b3c_31c_2a2b7c:Ag-S-Sn, expected Ag6Sn9S31 to be Ag5(Sn3S8)2" +mp-1229005,AgSnS2,-4.22959698,-0.450840082,0.0817205758,0.0817205758,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ag-S-Sn,4.0,AB2C_tP4_123_a_bc_d:Ag-S-Sn +mp-1220231,NiAg2Sn3S8,-4.4194384664,-0.379041096,0.2199889179,0.2197878925,GGA,P-1,A2BC8D3_aP14_2_be_a_4i_di:Ag-Ni-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_aP14_2_be_a_8i_di:Ag-Ni-S-Sn, expected NiAg2Sn3S16 to be NiAg2Sn3S8" +mp-1220114,NiAg2Sn3S8,-4.6394273843,-0.5990300138,0.0,-0.0002010253,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Ag-Ni-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Ag-Ni-S-Sn, expected NiAg2Sn3S22 to be NiAg2Sn3S8" +mp-1194376,Ba(SmS2)2,-6.3842969111,-2.3983045286,0.0,-0.0416517207,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-S-Sm,28.0,AB4C2_oP28_62_c_4c_2c:Ba-S-Sm +mp-1192911,Sm4FeS7,-6.6213202188,-1.9296939839,0.1693737354,0.1693737354,GGA,P6_3,AB7C4_hP24_173_a_b2c_bc:Fe-S-Sm,24.0,AB7C4_hP24_173_a_b2c_bc:Fe-S-Sm +mp-16534,BaSm2FeS5,-6.4628375989,-1.9619022928,0.0718712192,0.0718712192,GGA,I4/mcm,ABC5D2_tI36_140_a_b_cl_h:Ba-Fe-S-Sm,18.0,ABC5D2_tI36_140_a_b_cl_h:Ba-Fe-S-Sm +mp-1226240,CrFeS2,-7.2022139825,-0.6032218791,0.2074732463,0.2074732463,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Fe-S,4.0,ABC2_hP4_164_a_b_d:Cr-Fe-S +mp-1078247,Cr2FeS4,-7.1799889629,-0.8482867318,0.0782219829,0.0782219829,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Fe-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Fe-S +mp-21019,Cr2FeS4,-7.1777755186,-0.8460732875,0.0804354271,0.0804354271,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Fe-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Fe-S +mp-1226707,Cr12Fe3S20,-7.2938270986,-0.8945233669,0.0440493869,0.0440493869,GGA,P-1,A12B3C20_aP35_2_6i_ai_10i:Cr-Fe-S,35.0,"Invalid WP multiplicities - A12B3C20_aP35_2_11i_a2i_20i:Cr-Fe-S, expected Cr22(FeS8)5 to be Cr12Fe3S20" +mp-1226336,CrFeS4,-6.3275110475,-0.5493663562000001,0.3095981983,0.3095981983,GGA,Imma,ABC4_oI24_74_a_e_hi:Cr-Fe-S,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_e_2h2i:Cr-Fe-S, expected CrFeS8 to be CrFeS4" +mp-1247197,Mg2CrFe3S8,-6.02302477,-0.9262197604,0.1696413584,0.1696413584,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-Fe-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-Fe-Mg-S, expected Mg2CrFe3S22 to be Mg2CrFe3S8" +mp-1022205,Mg6CrFe,-3.1835201519,0.2820734706,0.2966708026,0.2966708026,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Fe-Mg, expected Mg12CrFe to be Mg6CrFe" +mp-1022208,Mg6CrFe,-3.1870491437,0.2785444788,0.2931418107,0.2931418107,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Fe-Mg, expected Mg12CrFe to be Mg6CrFe" +mp-1247159,MgCrFeS4,-6.1915713436,-1.0102644582,0.1221344832,0.1221344832,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Fe-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-Fe-Mg-S, expected MgCrFeS12 to be MgCrFeS4" +mp-2217928,Mg(Fe2S3)2,-6.1717540491,-0.6900209499000001,0.2596993127,0.2596993127,GGA,R-3,A4BC6_hR33_148_2c_a_f:Fe-Mg-S,11.0,"Invalid WP multiplicities - A4BC6_hR33_148_4c_a_f:Fe-Mg-S, expected Mg(Fe4S3)2 to be Mg(Fe2S3)2" +mp-1027877,Mg14CrFe,-2.2957308006,0.2372060356,0.2542362562,0.2542362562,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Fe-Mg, expected Mg18CrFe to be Mg14CrFe" +mp-1027789,Mg14CrFe,-2.3850120475,0.1479247888,0.1649550094,0.1649550094,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Fe-Mg, expected Mg26CrFe to be Mg14CrFe" +mp-1045442,Mg(FeS2)2,-5.8105066457,-0.7982035118,0.2611197843,0.2611197843,GGA,Imma,A2BC4_oI28_74_ac_b_hi:Fe-Mg-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_4h3i:Fe-Mg-S, expected Mg(Fe2S7)2 to be Mg(FeS2)2" +mp-1389421,Mg(FeS2)2,-5.8621162907,-0.8498131568,0.2095101393,0.2095101393,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Fe-Mg-S +mp-1246808,Mg2Cr3FeS8,-6.3672983929,-1.1014896318,0.0674471323,0.0674471323,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Fe-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-Fe-Mg-S, expected Mg2Cr3FeS16 to be Mg2Cr3FeS8" +mp-1394404,Mg(FeS2)4,-6.0284272408,-0.7536607927000001,0.2081789208,0.2081789208,GGA,R-3m,A4BC8_hR39_166_bd_a_ch:Fe-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Fe-Mg-S, expected Mg(Fe2S7)2 to be Mg(FeS2)4" +mp-1444514,Mg(FeS2)4,-5.9947320615,-0.7199656135,0.2418740999999999,0.2418740999999999,GGA,R-3m,A4BC8_hR39_166_ad_b_ch:Fe-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_c2h:Fe-Mg-S, expected Mg(Fe2S7)2 to be Mg(FeS2)4" +mp-1069147,PrFeGe3,-5.9163978880000005,-0.492395782,0.0,-0.0449295257,GGA,I4mm,AB3C_tI10_107_a_ab_a:Fe-Ge-Pr,5.0,AB3C_tI10_107_a_ab_a:Fe-Ge-Pr +mp-1219958,Pr2FeGe4,-5.8025545443,-0.5848482386,0.0135504388,0.0135504388,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Pr,7.0,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Pr +mp-1209712,Pr5Ge3O13,-7.9375129567,-3.076533643,0.0,-0.0364813046,GGA,P6_3/m,A3B13C5_hP42_176_h_a2hi_fh:Ge-O-Pr,42.0,A3B13C5_hP42_176_h_a2hi_fh:Ge-O-Pr +mp-21221,Pr(FeGe)2,-6.619847264,-0.426446487,0.0,-0.0068641134,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Pr,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Pr +mp-22341,PrFeO3,-8.378956726,-2.7607581062,0.0,-0.0278251004,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Pr +mp-1197438,Pr3Fe5O12,-8.284855643,-2.4822012505,0.0153310115,0.0153310115,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Pr,80.0,A5B12C3_cI160_230_ad_h_c:Fe-O-Pr +mp-643523,Pr6Fe13Ge,-7.2414170303,-0.0704801245,0.0226056867,0.0226056867,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Ge-Pr,40.0,"Invalid WP multiplicities - A13BC6_tI80_140_2d4k12l_a_f2l:Fe-Ge-Pr, expected Pr10Fe66Ge to be Pr6Fe13Ge" +mp-978101,PrFeGe2,-6.1199958512,-0.4957501825,0.0310017489,0.0310017489,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Pr,8.0,"Invalid WP multiplicities - AB2C_oC16_63_c_4c_c:Fe-Ge-Pr, expected PrFeGe4 to be PrFeGe2" +mp-22208,PrFeGe2O7,-7.648239923,-2.4551668635,0.0,-0.0668653263,GGA+U,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Fe-Ge-O-Pr,44.0,"Invalid WP multiplicities - AB2C7D_mP44_14_e_5e_7e_e:Fe-Ge-O-Pr, expected PrFeGe5O7 to be PrFeGe2O7" +mp-1323859,Pr(FeO3)2,-7.5350552256,-1.8238240653,0.1843345297,0.1843345297,GGA+U,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Fe-O-Pr,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_4a4b_a:Fe-O-Pr, expected Pr(FeO6)2 to be Pr(FeO3)2" +mp-23033,Sr2NCl,-5.0561006225,-1.6650959996,0.0,-0.1536111931,GGA,R-3m,ABC2_hR12_166_a_b_c:Cl-N-Sr,4.0,ABC2_hR12_166_a_b_c:Cl-N-Sr +mp-1208676,SrBrCl,-4.3879644958,-2.6909450147,0.036888135,0.036888135,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Cl-Sr,12.0,ABC_oP12_62_c_c_c:Br-Cl-Sr +mp-1100431,SrBrCl,-3.9763697567,-2.2793502756,0.4484828742,0.4484828742,GGA,F-43m,ABC_cF12_216_a_c_b:Br-Cl-Sr,3.0,ABC_cF12_216_a_c_b:Br-Cl-Sr +mp-23056,Sr2BrN,-4.8543745475,-1.5372470071,0.0,-0.15083893,GGA,R-3m,ABC2_hR12_166_a_b_c:Br-N-Sr,4.0,ABC2_hR12_166_a_b_c:Br-N-Sr +mp-1218888,Sr(NCl2)2,-3.3474870329,0.3320315305,1.5725752971,1.5725752971,GGA,I4/mmm,A4B2C_tI14_139_f_c_a:Cl-N-Sr,7.0,A4B2C_tI14_139_f_c_a:Cl-N-Sr +mp-28021,Sr5(Br4Cl)2,-4.2606850467,-2.6227672316,0.0050045347,0.0050045347,GGA,P4/n,A8B2C5_tP30_85_2g_ab_cg:Br-Cl-Sr,30.0,"Invalid WP multiplicities - A8B2C5_tP30_85_3g_ab_cg:Br-Cl-Sr, expected Sr5(Br6Cl)2 to be Sr5(Br4Cl)2" +mp-1218378,Sr4BrN2Cl,-4.951055305,-1.5969892233,0.00418228,0.00418228,GGA,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Br-Cl-N-Sr,8.0,"Invalid WP multiplicities - ABC2D4_mP8_10_b_g_ce_2m2n:Br-Cl-N-Sr, expected Sr8BrN2Cl to be Sr4BrN2Cl" +mp-1218383,Sr4BrN2Cl,-4.95440695,-1.6003408683,0.000830635,0.000830635,GGA,R-3m,ABC2D4_hR24_166_a_b_c_2c:Br-Cl-N-Sr,8.0,"Invalid WP multiplicities - ABC2D4_hR24_166_a_b_c_3c:Br-Cl-N-Sr, expected Sr6BrN2Cl to be Sr4BrN2Cl" +mp-1206442,Cs2KYbCl6,-3.763785035,-2.2105818419,0.047368963,0.047368963,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Yb,,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Yb +mp-1211855,KYb2Cl7,-3.9592876115,-2.2463503988,0.0,-0.0598943515,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-K-Yb,,A7BC2_mP40_14_7e_e_2e:Cl-K-Yb +mp-643451,BaMg2H8Ru,-3.9922717238,-0.5309595621000001,0.0,-0.0314233463,GGA,P4_2/mmc,AB8C2D_tP24_131_c_gkn_i_e:Ba-H-Mg-Ru,24.0,AB8C2D_tP24_131_c_gkn_i_e:Ba-H-Mg-Ru +mp-733604,Ba2Mg3H10,-3.3073851113,-0.4696484127,0.0,-0.0045791447,GGA,C2/m,A2B10C3_mC60_12_2i_eh4i2j_g2i:Ba-H-Mg,30.0,A2B10C3_mC60_12_2i_eg4i2j_h2i:Ba-H-Mg +mp-697671,Ba6Mg7H26,-3.3355986738,-0.4913246441,0.0,-0.0029489569,GGA,Immm,A6B26C7_oI78_71_fm_2ef2lmo_begi:Ba-H-Mg,39.0,A6B26C7_oI78_71_fm_2ef2lmo_begi:Ba-H-Mg +mp-697038,Ba2H6Ru,-4.3718396511,-0.6530942411,0.0,-0.2488450406,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Ba-H-Ru,9.0,A2B6C_cF36_225_c_e_a:Ba-H-Ru +mp-23715,BaH2,-3.5078494775,-0.6063738008,0.0,-0.6063738008,GGA,Pnma,AB2_oP12_62_c_2c:Ba-H,12.0,AB2_oP12_62_c_2c:Ba-H +mp-1182102,BaH2,-3.48010801,-0.5786323333,0.0277414675,-0.5786323333,GGA,P6_3/mmc,AB2_hP6_194_c_ad:Ba-H,6.0,AB2_hP6_194_c_ad:Ba-H +mp-643718,BaMgH4,-3.3463568767,-0.497997015,0.0044792462,0.0044792462,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ba-H-Mg,12.0,AB4C_oC24_63_c_acf_c:Ba-H-Mg +mp-1183347,Ba3H,-1.8472562125,0.4401565037,0.6675466791,0.6675466791,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ba-H,8.0,A3B_hP8_194_h_c:Ba-H +mp-643370,Ba2MgH6,-3.4168650689,-0.5507999356000001,0.0,-0.0156470413,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Ba-H-Mg,9.0,A2B6C_hP9_164_d_i_a:Ba-H-Mg +mp-1106280,Ca5Sn3H,-3.5057095378,-0.67799387,0.0,-0.0120269979,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Ca-H-Sn,18.0,A5BC3_tI36_140_cl_b_ah:Ca-H-Sn +mp-1101934,CaGaH4,-3.2092027983,-0.1084361179,0.2407470696,0.2407470696,GGA,P2_1,ABC4_mP12_4_a_a_4a:Ca-Ga-H,12.0,ABC4_mP12_4_a_a_4a:Ca-Ga-H +mp-1018091,CaGaSnH,-3.5206272025,-0.4116287519,0.0570719859,0.0570719859,GGA,P3m1,ABCD_hP4_156_b_a_a_c:Ca-Ga-H-Sn,4.0,ABCD_hP4_156_b_a_a_c:Ca-Ga-H-Sn +mp-1227571,Ca4GaSn3,-3.5038779875,-0.6189765991,0.0072531746,0.0072531746,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:Ca-Ga-Sn,8.0,A4BC3_oP8_25_abcd_a_bcd:Ca-Ga-Sn +mp-1213976,CaGaH5,-3.4469923643,-0.3045172032,0.0,-0.0156519846,GGA,P2_1,ABC5_mP14_4_a_a_5a:Ca-Ga-H,14.0,ABC5_mP14_4_a_a_5a:Ca-Ga-H +mp-1227330,Ca2GaSn,-3.34543625,-0.5832193406,0.0211290618,0.0211290618,GGA,Amm2,A2BC_oC8_38_ab_a_b:Ca-Ga-Sn,4.0,A2BC_oC8_38_ab_a_b:Ca-Ga-Sn +mp-1101813,CaGaSn,-3.5141785933,-0.4997560075,0.0033867288,0.0033867288,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ca-Ga-Sn,12.0,ABC_hP12_194_ab_f_f:Ca-Ga-Sn +mp-1229248,Ca65Ga24Sn19,-3.1478003614,-0.5624284912,0.0,-0.0067552729,GGA,P-3m1,A65B24C19_hP108_164_bc4dg6ij_c2d3i_a3i:Ca-Ga-Sn,108.0,"Invalid WP multiplicities - A65B24C19_hP108_164_b2c6d6g35i10j_2c4d17i_a13i:Ca-Ga-Sn, expected Ca383Ga114Sn79 to be Ca65Ga24Sn19" +mp-984605,Ca3SnH2,-3.4912572442,-0.6892866467000001,0.0,-0.0286329538,GGA,Cmcm,A3B2C_oC24_63_cg_e_c:Ca-H-Sn,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_2cg_e_c:Ca-H-Sn, expected Ca4SnH2 to be Ca3SnH2" +mp-1191887,Cs2U(PdSe2)3,-5.2527553717,-1.1196446175,0.0,-0.0413612364,GGA,Fmmm,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pd-Se-U,24.0,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pd-Se-U +mp-21103,UPdSe3,-6.4920536835,-1.1002484329,0.0,-0.0049043884,GGA,Pnma,AB3C_oP20_62_a_cd_c:Pd-Se-U,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_c2d_c:Pd-Se-U, expected UPdSe5 to be UPdSe3" +mp-568105,Ba2Zr6BCl17,-5.9105517423,-2.3248337173,0.0,-0.0245682638,GGA,I4/m,AB2C17D6_tI52_87_a_d_b2hi_eh:B-Ba-Cl-Zr,26.0,"Invalid WP multiplicities - AB2C17D6_tI52_87_a_d_b6h4i_eh:B-Ba-Cl-Zr, expected Ba2Zr6BCl57 to be Ba2Zr6BCl17" +mp-29358,Zr6BCl14,-6.1386994781,-2.14607525,0.0,-0.0828225969,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:B-Cl-Zr,42.0,"Invalid WP multiplicities - AB14C6_oC84_64_a_d2ef2g_fg:B-Cl-Zr, expected Zr6BCl16 to be Zr6BCl14" +mp-1184162,ErIrO3,-7.419279494,-1.7700356693,0.8266765342,0.8266765342,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Er-Ir-O,5.0,ABC3_cP5_221_a_b_c:Er-Ir-O +mp-1210209,Na4Er2(IrO4)3,-6.8958750762,-2.1196319396,0.0,-0.0077420757,GGA,P-62m,A2B3C4D12_hP21_189_c_g_bf_2fk:Er-Ir-Na-O,21.0,A2B3C4D12_hP21_189_c_g_bf_2fk:Er-Ir-Na-O +mp-582813,K10In5Sb9,-3.0400794024,-0.4557702657,0.0,-0.0250018426,GGA,P2_1/c,A5B10C9_mP96_14_5e_10e_9e:In-K-Sb,96.0,"Invalid WP multiplicities - A5B10C9_mP96_14_19e_38e_35e:In-K-Sb, expected K38In19Sb35 to be K10In5Sb9" +mp-1112183,K2InSbBr6,-3.269361211,-1.4273959266,0.0866380485,0.0866380485,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Sb +mp-579637,K2In2Sb3,-3.2986497943,-0.4256256409,0.0,-0.0452913752,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:In-K-Sb,56.0,"Invalid WP multiplicities - A2B2C3_mP56_14_10e_15e_21e:In-K-Sb, expected K15In10Sb21 to be K2In2Sb3" +mp-1113778,Rb2FeHgF6,-4.725021771,-2.5046574185,0.0988779088,0.0988779088,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Rb +mp-1206249,Pr2CdAs2O,-4.5279745033,-0.4030367048,1.3231334966,1.3231334966,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:As-Cd-O-Pr,6.0,A2BCD2_tP6_123_g_a_b_g:As-Cd-O-Pr +mp-29269,NaSbF4,-5.0174846679,-2.8345776007,0.0,-0.0123046579,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-Na-Sb,24.0,"Invalid WP multiplicities - A4BC_mP24_14_15e_e_e:F-Na-Sb, expected NaSbF15 to be NaSbF4" +mp-674503,Hg2SbF6,-3.8235507944,-2.0229690417,0.0859311296,0.0859311296,GGA,C2/c,A6B2C_mC36_15_2e2f_ac_e:F-Hg-Sb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4e5f_ac_e:F-Hg-Sb, expected Hg2SbF14 to be Hg2SbF6" +mp-1093963,Na2HgSb,-1.23179805,0.537634998,0.902036868,0.902036868,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Na-Sb,4.0,AB2C_oI8_71_a_e_b:Hg-Na-Sb +mp-27573,NaSb3F10,-5.0993548029,-2.7547606108,0.0,-0.0041660709,GGA,P6_3,A10BC3_hP28_173_b3c_b_c:F-Na-Sb,28.0,A10BC3_hP28_173_b3c_b_c:F-Na-Sb +mp-27936,Na2SbF5,-4.9227770663,-2.8813462332,0.0,-0.0207846441,GGA,P2_12_12_1,A5B2C_oP32_19_5a_2a_a:F-Na-Sb,32.0,A5B2C_oP32_19_5a_2a_a:F-Na-Sb +mp-1111411,Na2HgSbF6,-4.100693583,-2.2460329833,0.347182534,0.347182534,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Sb +mp-28286,Na3Sb5F18,-5.0533224631,-2.7833530979,0.0082461237,0.0082461237,GGA,P2_1/c,A18B3C5_mP104_14_18e_3e_5e:F-Na-Sb,104.0,A18B3C5_mP104_14_18e_3e_5e:F-Na-Sb +mp-1200829,NaSbF6,-4.9635968284,-2.8485467861,0.0185173853,-0.1824356306,GGA,Pa-3,A6BC_cP32_205_d_a_b:F-Na-Sb,32.0,A6BC_cP32_205_d_a_b:F-Na-Sb +mp-5955,NaSbF6,-4.9821142138,-2.8670641714,0.0,-0.2009530159,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Na-Sb,8.0,A6BC_cF32_225_e_a_b:F-Na-Sb +mp-1096017,NaHg2Sb,-0.9895230625,0.5251987534,0.7346374966,0.7346374966,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Na-Sb,4.0,A2BC_oI8_71_e_a_b:Hg-Na-Sb +mp-1206139,Na3SbF6,-4.597615032,-2.6410699395,0.251709758,0.251709758,GGA,P-1,A6B3C_aP10_2_3i_bde_a:F-Na-Sb,10.0,A6B3C_aP10_2_3i_bde_a:F-Na-Sb +mp-1237388,Na3SbF6,-4.684537203,-2.7279921105,0.164787587,0.164787587,GGA,P-1,A6B3C_aP10_2_3i_ach_b:F-Na-Sb,10.0,A6B3C_aP10_2_3i_ach_b:F-Na-Sb +mp-1111642,Na3SbF6,-4.657653171,-2.7011080785,0.191671619,0.191671619,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Sb,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Sb +mp-1199212,HgSb2F13,-4.3691035952,-2.2809217563,0.0,-0.0083785593,GGA,P2_1/c,A13BC2_mP64_14_13e_e_2e:F-Hg-Sb,64.0,A13BC2_mP64_14_13e_e_2e:F-Hg-Sb +mp-1237050,Fe3NiF6,-5.951149835,-1.6852424235,0.6476988315000001,0.6476988315000001,GGA+U,P-1,A6B3C_aP10_2_3i_bch_a:F-Fe-Ni,10.0,A6B3C_aP10_2_3i_bch_a:F-Fe-Ni +mp-1212687,FeNiAg2F7,-5.0698476418,-2.0429728537,0.0,-0.0021722483,GGA+U,Imma,A2B7CD_oI44_74_ac_ehj_d_b:Ag-F-Fe-Ni,22.0,"Invalid WP multiplicities - A2B7CD_oI44_74_ac_2e2hj_d_b:Ag-F-Fe-Ni, expected FeNiAg2F10 to be FeNiAg2F7" +mp-1205948,FeAg3F6,-4.598113001,-1.7544566985,0.0414272498,0.0414272498,GGA+U,I4/mmm,A3B6C_tI20_139_bd_ei_a:Ag-F-Fe,10.0,A3B6C_tI20_139_bd_ei_a:Ag-F-Fe +mp-1205935,FeAg3F6,-4.539970767,-1.6963144645,0.0995694838,0.0995694838,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Ag-F-Fe,10.0,A3B6C_cF40_225_ac_e_b:Ag-F-Fe +mp-752413,Ca2HfO4,-8.4927828793,-3.6706195029,0.003925965,0.003925965,GGA,Pbam,A2BC4_oP14_55_g_b_gh:Ca-Hf-O,14.0,"Invalid WP multiplicities - A2BC4_oP14_55_g_b_2g3h:Ca-Hf-O, expected Ca2HfO10 to be Ca2HfO4" +mp-752396,Ca2HfO4,-8.4716168468,-3.6494534704,0.0250919975,0.0250919975,GGA,Pbca,A2BC4_oP28_61_c_a_2c:Ca-Hf-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_61_c_a_5c:Ca-Hf-O, expected Ca2HfO10 to be Ca2HfO4" +mp-27221,Ca2Hf7O16,-10.0536147204,-3.9392730264,0.0018030913,0.0018030913,GGA,R-3,A2B7C16_hR75_148_c_af_2c2f:Ca-Hf-O,25.0,"Invalid WP multiplicities - A2B7C16_hR75_148_c_af_2c3f:Ca-Hf-O, expected Ca2Hf7O22 to be Ca2Hf7O16" +mp-558489,Ca6Hf19O44,-9.9864693698,-3.9158245271,0.0183313194,0.0183313194,GGA,R-3c,A6B19C44_hR414_167_2e_a2e2f_c7f:Ca-Hf-O,138.0,"Invalid WP multiplicities - A6B19C44_hR414_167_6e_2a11e18f_4c66f:Ca-Hf-O, expected Ca18Hf143O404 to be Ca6Hf19O44" +mp-1233772,CaHf4(PbO3)4,-8.270027729,-2.7440654045,0.3089210764,0.3089210764,GGA,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Hf-O-Pb,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Hf-O-Pb +mp-754853,CaHfO3,-9.182272448,-3.8217014393,0.0,-0.0391429682,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Hf-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ca-Hf-O, expected CaHfO7 to be CaHfO3" +mp-1016873,CaHfO3,-9.02795571,-3.6673847013,0.154316738,0.1151737698,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Hf-O,5.0,ABC3_cP5_221_a_b_c:Ca-Hf-O +mp-755421,Ca6HfO8,-7.5804567307,-3.4761701973,0.0021673087,0.0021673087,GGA,Fm-3m,A6BC8_cF60_225_d_a_ce:Ca-Hf-O,15.0,"Invalid WP multiplicities - A6BC8_cF60_225_d_a_2c3e:Ca-Hf-O, expected Ca6HfO22 to be Ca6HfO8" +mp-558164,CaHf4O9,-10.1077405888,-3.9395581316,0.0100447488,0.0100447488,GGA,C2/c,AB4C9_mC224_15_2ef_2e7f_18f:Ca-Hf-O,112.0,"Invalid WP multiplicities - AB4C9_mC224_15_2e2f_4e24f_69f:Ca-Hf-O, expected Ca3Hf26O69 to be CaHf4O9" +mp-1188494,Eu2MgIrO6,-8.7004799245,-2.6371949148,0.0,-0.0088843553,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Eu-Ir-Mg-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Eu-Ir-Mg-O +mp-1184445,EuIrO3,-8.687974162,-1.9008737393,0.3290873918,0.3290873918,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Ir-O,5.0,ABC3_cP5_221_a_b_c:Eu-Ir-O +mp-641683,Eu2Ir2O7,-8.8401718695,-2.2203816024,0.0,-0.073278411,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Eu-Ir-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a2f:Eu-Ir-O, expected EuIrO7 to be Eu2Ir2O7" +mp-17981,Eu3IrO7,-9.3672111609,-2.618460201,0.0,-0.0604646394,GGA,Cmcm,A3BC7_oC44_63_ag_b_cgh:Eu-Ir-O,22.0,A3BC7_oC44_63_ag_b_cgh:Eu-Ir-O +mp-1194730,RbZr2(AsO4)3,-7.602946035,-2.5244151971,0.0,-0.2014403631,GGA,R-3c,A3B12CD2_hR108_167_e_2f_b_c:As-O-Rb-Zr,36.0,A3B12CD2_hR108_167_e_2f_b_c:As-O-Rb-Zr +mp-752401,Rb2ZrO3,-6.9485298875,-2.7237240694,0.027293095,-0.1794735675,GGA,Cc,A3B2C_mC24_9_3a_2a_a:O-Rb-Zr,12.0,"Invalid WP multiplicities - A3B2C_mC24_9_5a_4a_a:O-Rb-Zr, expected Rb4ZrO5 to be Rb2ZrO3" +mp-756156,Rb2ZrO3,-6.9758229825,-2.7510171644,0.0,-0.2067666625,GGA,Cmc2_1,A3B2C_oC24_36_ab_b_a:O-Rb-Zr,12.0,"Invalid WP multiplicities - A3B2C_oC24_36_a2b_b_a:O-Rb-Zr, expected Rb2ZrO5 to be Rb2ZrO3" +mp-1101461,Rb2ZrO3,-6.9754621071,-2.750656289,0.0003608754,-0.2064057871,GGA,Pnma,A3B2C_oP24_62_cd_d_c:O-Rb-Zr,24.0,"Invalid WP multiplicities - A3B2C_oP24_62_2c3d_d_c:O-Rb-Zr, expected Rb2ZrO8 to be Rb2ZrO3" +mp-756073,Rb2ZrO3,-6.9172166933,-2.6924108752,0.0586062892,-0.1481603733,GGA,Cmce,A3B2C_oC48_64_e2f_2f_f:O-Rb-Zr,24.0,"Invalid WP multiplicities - A3B2C_oC48_64_2e5f_6f_f:O-Rb-Zr, expected Rb6ZrO7 to be Rb2ZrO3" +mp-862664,Rb2Zr2O5,-7.88001573,-3.0144698454,0.0910302478,0.0910302478,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Rb-Zr,9.0,A5B2C2_tP9_123_ci_ab_h:O-Rb-Zr +mp-568847,K4GeSe4,-3.7837324129,-1.2228135736,0.0,-0.030335259,GGA,P-43n,AB4C4_cP72_218_ac_ei_ei:Ge-K-Se,72.0,"Invalid WP multiplicities - AB4C4_cP72_218_2a2c_4e5i_8e9i:Ge-K-Se, expected K19Ge2Se35 to be K4GeSe4" +mp-639900,K(GeSe2)2,-4.2313832655,-0.7542260416000001,0.0500338467,0.0500338467,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:Ge-K-Se,56.0,"Invalid WP multiplicities - A2BC4_mP56_14_13e_6e_29e:Ge-K-Se, expected K6Ge13Se29 to be K(GeSe2)2" +mp-29022,K2GeSe4,-3.9978595693,-1.0225064751,0.0,-0.013611686,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ge-K-Se,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_5e_6e:Ge-K-Se, expected K5GeSe6 to be K2GeSe4" +mp-1200819,K2FeGe3Se8,-4.5471367979,-0.7951943343000001,0.0284358136,0.0284358136,GGA,P2_1,AB3C2D8_mP56_4_2a_6a_4a_16a:Fe-Ge-K-Se,56.0,AB3C2D8_mP56_4_2a_6a_4a_16a:Fe-Ge-K-Se +mp-14435,K3GeSe3,-3.8310549064,-1.1964893166,0.0,-0.0173476563,GGA,C2/m,AB3C3_mC28_12_i_ehi_ij:Ge-K-Se,14.0,AB3C3_mC28_12_i_egi_ij:Ge-K-Se +mp-9692,K2GeSe3,-3.9922967283,-1.1037033647,0.0,-0.0135040774,GGA,P-1,AB2C3_aP12_2_i_2i_3i:Ge-K-Se,12.0,AB2C3_aP12_2_i_2i_3i:Ge-K-Se +mp-29388,K2Ge2Se5,-4.1738528889,-0.9575850009,0.0,-0.028675286,GGA,P2_1/m,A2B2C5_mP36_11_2ef_2ef_4e3f:Ge-K-Se,36.0,A2B2C5_mP36_11_2ef_2ef_4e3f:Ge-K-Se +mp-569826,K2Ge2Se5,-4.1704698725,-0.9542019845,0.0033830164,-0.0252922696,GGA,P2_1/c,A2B2C5_mP72_14_4e_4e_10e:Ge-K-Se,72.0,"Invalid WP multiplicities - A2B2C5_mP72_14_13e_12e_39e:Ge-K-Se, expected K12(GeSe3)13 to be K2Ge2Se5" +mp-1210465,Na3CoF6,-4.9184032945,-2.6639265465,0.0,-0.0372249458,GGA+U,P2_1/c,AB6C3_mP20_14_a_3e_de:Co-F-Na,20.0,AB6C3_mP20_14_a_3e_be:Co-F-Na +mp-1111934,Na3CoF6,-4.857092301,-2.602615553,0.0613109935,0.0240860477,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Co-F-Na,10.0,AB6C3_cF40_225_a_e_bc:Co-F-Na +mp-557221,Na2FeCoF7,-5.5874877633,-2.7144202756,0.0068790066,0.0068790066,GGA+U,C2/c,AB7CD2_mC176_15_2f_14f_cef_abde2f:Co-F-Fe-Na,88.0,"Invalid WP multiplicities - AB7CD2_mC176_15_6f_55f_2a2e2f_2b2c2d2e5f:Co-F-Fe-Na, expected Na9Fe4Co6F55 to be Na2FeCoF7" +mp-1210144,NaCoF4,-5.097005925,-2.4175460986,0.0219613917,0.0219613917,GGA+U,Pbcn,AB4C_oP24_60_c_2d_a:Co-F-Na,24.0,AB4C_oP24_60_c_2d_a:Co-F-Na +mp-21404,NaCoF3,-5.440153471,-2.6070974728,0.0,-0.020711859,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-F-Na,20.0,AB3C_oP20_62_a_cd_c:Co-F-Na +mp-1078336,NaCoF3,-5.4218819,-2.5888259018,0.018271571,-0.002440288,GGA+U,Cmcm,AB3C_oC20_63_a_cf_c:Co-F-Na,10.0,AB3C_oC20_63_a_cf_c:Co-F-Na +mp-31318,Nd2TeO6,-7.6553607111,-2.9487237082,0.0,-0.2507131475,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Nd-O-Te,36.0,A2B6C_oP36_19_2a_6a_a:Nd-O-Te +mp-5121,Nd2Te4O11,-6.7765954097000005,-2.2752369237,0.0,-0.0543460582,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Nd-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_e6f_2f:Nd-O-Te, expected Nd2Te4O13 to be Nd2Te4O11" +mp-5459,Nd2TeO2,-7.75801382,-3.2434181838,0.0,-0.1494571098,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Nd-O-Te,5.0,A2B2C_tI10_139_e_d_a:Nd-O-Te +mp-1250558,Si2TeO7,-7.0621107745,-2.2000344813,0.297838918,0.297838918,GGA,C2/c,A7B2C_mC80_15_7f_2f_ae:O-Si-Te,40.0,"Invalid WP multiplicities - A7B2C_mC80_15_27f_5f_ae:O-Si-Te, expected Si5TeO27 to be Si2TeO7" +mp-1210042,Nd5Si3O13,-8.5671941031,-3.5946396032,0.0591541294,0.0591541294,GGA,P6_3,A5B13C3_hP42_173_2bc_a4c_c:Nd-O-Si,42.0,A5B13C3_hP42_173_2bc_a4c_c:Nd-O-Si +mp-18130,Nd2Si2O7,-8.6054210711,-3.6041708981,0.0056245409,-0.0137891798,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Nd-O-Si,44.0,A2B7C2_mP44_14_2e_7e_2e:Nd-O-Si +mp-556771,Nd2Si2O7,-8.6077726457,-3.6065224726,0.0032729664,-0.0161407543,GGA,P2_12_12_1,A2B7C2_oP44_19_2a_7a_2a:Nd-O-Si,44.0,"Invalid WP multiplicities - A2B7C2_oP44_19_4a_21a_6a:Nd-O-Si, expected Nd4(Si2O7)3 to be Nd2Si2O7" +mp-15225,Nd2Si2O7,-8.611045612,-3.609795439,0.0,-0.0194137207,GGA,P4_1,A2B7C2_tP88_76_4a_14a_4a:Nd-O-Si,88.0,"Invalid WP multiplicities - A2B7C2_tP88_76_4a_17a_4a:Nd-O-Si, expected Nd4Si4O17 to be Nd2Si2O7" +mp-560132,Nd2SiO5,-8.6731448856,-3.7112628292,0.0,-0.0475563656,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Nd-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_18e_e:Nd-O-Si, expected Nd3SiO18 to be Nd2SiO5" +mp-17959,Nd2SiTeO4,-8.0029438538,-3.2664846496,0.0069848875,-0.0096440399,GGA,P2_1/c,A2B4CD_mP32_14_2e_4e_e_e:Nd-O-Si-Te,32.0,"Invalid WP multiplicities - A2B4CD_mP32_14_2e_7e_e_e:Nd-O-Si-Te, expected Nd2SiTeO7 to be Nd2SiTeO4" +mp-18542,Nd2SiTeO4,-8.0099287413,-3.2734695371,0.0,-0.0166289274,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_c_d:Nd-O-Si-Te,32.0,A2B4CD_oP32_57_cd_2e_c_d:Nd-O-Si-Te +mp-1143703,Si3(TeO6)2,-7.0506517246,-2.2316617003,0.1303013419,0.1303013419,GGA,Ia-3d,A12B3C2_cI136_230_h_d_a:O-Si-Te,68.0,A12B3C2_cI136_230_h_d_a:O-Si-Te +mp-1101436,NdSiO4,-8.2103663942,-3.2136630096,0.0953161428,0.0953161428,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Nd-O-Si,12.0,AB4C_tI24_141_a_h_b:Nd-O-Si +mp-861507,ScAlIr2,-7.947883665,-1.0091553412,0.0,-0.000433525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ir-Sc,4.0,AB2C_cF16_225_a_c_b:Al-Ir-Sc +mp-978662,Sc6Al16Ir7,-6.3810514121,-0.8709456476,0.0,-0.1492308497,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ir-Sc +mp-1209025,Sc2AlB2Ir5,-8.3252658825,-0.9291190343,0.0,-0.1061703731,GGA,P4/mbm,AB2C5D2_tP20_127_a_g_cj_g:Al-B-Ir-Sc,20.0,AB2C5D2_tP20_127_a_g_cj_g:Al-B-Ir-Sc +mp-972877,Sc2AlIr,-7.04901599,-0.736778935,0.0293829047,0.0293829047,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ir-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Ir-Sc +mp-27664,TiPCl9,-4.2703165705,-1.5479870738,0.0,-0.0021613573,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-P-Ti,22.0,"Invalid WP multiplicities - A9BC_aP22_2_13i_i_i:Cl-P-Ti, expected TiPCl13 to be TiPCl9" +mp-685813,Ti(PCl6)4,-3.8009908641,-1.2522466612,0.0087995924,0.0087995924,GGA,Pmc2_1,A24B4C_oP116_26_8a8b16c_ab3c_ab:Cl-P-Ti,116.0,"Invalid WP multiplicities - A24B4C_oP116_26_14a15b47c_ab10c_ab:Cl-P-Ti, expected Ti2P22Cl123 to be Ti(PCl6)4" +mp-27921,Ti2PCl13,-4.5455792313,-1.7183752863,0.0,-0.0037660216,GGA,Pnma,A13BC2_oP128_62_10c8d_2c_4c:Cl-P-Ti,128.0,A13BC2_oP128_62_10c8d_2c_4c:Cl-P-Ti +mp-570405,TiHg6P4Cl7,-3.297036089,-0.8353393750000001,0.0261996411,0.0261996411,GGA,Pa-3,A7B6C4D_cP72_205_ad_d_2c_b:Cl-Hg-P-Ti,72.0,"Invalid WP multiplicities - A7B6C4D_cP72_205_4a5d_d_12c_b:Cl-Hg-P-Ti, expected TiHg6(P12Cl17)2 to be TiHg6P4Cl7" +mp-7849,AlAsO4,-7.1442605967,-2.44568575,0.0,-0.0931022438,GGA,I-4,ABC4_tI12_82_a_c_g:Al-As-O,6.0,ABC4_tI12_82_a_c_g:Al-As-O +mp-5189,AlAsO4,-7.1390235517,-2.440448705,0.005237045,-0.0878651988,GGA,P3_121,ABC4_hP18_152_a_b_2c:Al-As-O,18.0,ABC4_hP18_152_a_b_2c:Al-As-O +mp-1215024,AlAsO6,-6.1220735792,-1.3614702664,0.4727940461,0.4727940461,GGA,Pbca,ABC6_oP64_61_c_c_6c:Al-As-O,64.0,ABC6_oP64_61_c_c_6c:Al-As-O +mp-1196667,Al16As9O76,-5.8160211009000005,-1.0852327744,0.835033714,0.835033714,GGA,I-4,A16B9C76_tI202_82_4g_a2g_19g:Al-As-O,101.0,A16B9C76_tI202_82_4g_a2g_19g:Al-As-O +mp-1193623,Al4As3O23,-5.8369999193,-1.0792166229,0.6828609453000001,0.6828609453000001,GGA,P-43m,A4B3C23_cP30_215_e_c_d2ei:Al-As-O,30.0,A4B3C23_cP30_215_e_c_d2ei:Al-As-O +mp-556630,RbAlAs2O7,-6.6410095718,-2.2163579635,0.0,-0.1702030284,GGA,P-1,AB2C7D_aP22_2_i_2i_7i_ab:Al-As-O-Rb,22.0,"Invalid WP multiplicities - AB2C7D_aP22_2_i_2i_12i_ab:Al-As-O-Rb, expected RbAl(AsO6)2 to be RbAlAs2O7" +mp-540804,RbBi3S5,-4.3877139958,-0.7005750184,0.1261101408,0.1261101408,GGA,Pnnm,A3BC5_oP36_58_3g_g_ac4g:Bi-Rb-S,36.0,A3BC5_oP36_58_3g_g_ac4g:Bi-Rb-S +mp-1179754,RbBi3S5,-4.4063900511,-0.7192510737000001,0.1074340856,0.1074340856,GGA,Pnnm,A3BC5_oP36_58_3g_g_ac4g:Bi-Rb-S,36.0,A3BC5_oP36_58_3g_g_ac4g:Bi-Rb-S +mp-559227,RbGeBiS4,-4.6421539396,-0.9293181504,0.0,-0.0137234896,GGA,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Bi-Ge-Rb-S,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:Bi-Ge-Rb-S, expected RbGeBiS13 to be RbGeBiS4" +mp-30041,RbBiS2,-4.30379302,-1.0303122859,0.0,-0.1737663821,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Rb-S,4.0,ABC2_hR12_166_a_b_c:Bi-Rb-S +mp-1213057,Dy2Be2SiO7,-8.3153673592,-3.5866558243,0.0,-0.0066212519,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Dy-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Dy-O-Si +mp-1209877,Nd3Ta(ClO2)3,-7.86538955,-3.1432386135,0.1945160033,0.1945160033,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-Ta,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-Ta +mp-1197928,Ta3(Cl3O4)2,-6.2614057956,-1.1885785874,0.9364852908,0.9364852908,GGA,P2_1/c,A6B8C3_mP68_14_6e_8e_3e:Cl-O-Ta,68.0,A6B8C3_mP68_14_6e_8e_3e:Cl-O-Ta +mp-1209886,Nd3Ta(Cl3O2)2,-7.2057927196,-3.1314930959,0.0154344604,0.0154344604,GGA,P6_3/m,A6B3C4D_hP28_176_2h_h_ch_d:Cl-Nd-O-Ta,28.0,A6B3C4D_hP28_176_2h_h_ch_d:Cl-Nd-O-Ta +mp-1208583,TaCl3O,-6.754344862,-2.2843295977,0.0,-0.0137751646,GGA,P4_2/mnm,A3BC_tP20_136_fi_f_g:Cl-O-Ta,20.0,A3BC_tP20_136_fi_f_g:Cl-O-Ta +mp-559243,Nd2Ta2Cl2O7,-8.94423253,-3.4384060359,0.0,-0.0065336129,GGA,C2/m,A2B2C7D2_mC26_12_i_i_a3i_i:Cl-Nd-O-Ta,13.0,"Invalid WP multiplicities - A2B2C7D2_mC26_12_i_i_a5i_i:Cl-Nd-O-Ta, expected Nd2Ta2Cl2O11 to be Nd2Ta2Cl2O7" +mp-14118,Sc2(MoO4)3,-8.7685849475,-2.6178700607,0.0,-0.0911762874,GGA+U,Pbcn,A3B12C2_oP68_60_cd_6d_d:Mo-O-Sc,68.0,A3B12C2_oP68_60_cd_6d_d:Mo-O-Sc +mp-5840,LiScO2,-7.8789496388,-3.3452572902,0.0,-0.0910640252,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Sc,8.0,AB2C_tI16_141_a_e_b:Li-O-Sc +mp-19433,LiScMo3O8,-8.4803973969,-2.2994857053,0.12994965,0.12994965,GGA+U,P3m1,AB3C8D_hP13_156_a_d_ab2d_c:Li-Mo-O-Sc,13.0,AB3C8D_hP13_156_a_d_ab2d_c:Li-Mo-O-Sc +mp-25572,ScMo3O8,-8.8201818908,-2.2832711304,0.1501580847,0.1501580847,GGA+U,P1,A3B8C_aP12_1_3a_8a_a:Mo-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_aP12_2_abh_8i_c:Mo-O-Sc, expected ScMo3O16 to be ScMo3O8" +mp-1172932,ScMo3O8,-8.8169691233,-2.2800583629,0.1533708522,0.1533708522,GGA+U,P-1,A3B8C_aP12_2_abc_4i_h:Mo-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_aP12_2_abc_8i_h:Mo-O-Sc, expected ScMo3O16 to be ScMo3O8" +mp-632694,ScMo3O8,-8.8060098242,-2.2690990638,0.1643301514,0.1643301514,GGA+U,C2,A3B8C_mC24_5_ac_4c_b:Mo-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_mC24_5_ac_7c_b:Mo-O-Sc, expected ScMo3O14 to be ScMo3O8" +mp-25211,ScMo3O8,-8.7670088325,-2.2300980721,0.2033311431,0.2033311431,GGA+U,Cm,A3B8C_mC24_8_ab_4a2b_a:Mo-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_mC24_8_ab_4a4b_a:Mo-O-Sc, expected Sc(MoO4)3 to be ScMo3O8" +mp-2214451,ScMo3O8,-8.8283723733,-2.2914616129,0.1419676022,0.1419676022,GGA+U,C2/m,A3B8C_mC24_12_ae_2ij_d:Mo-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_aP12_2_abc_8i_h:Mo-O-Sc, expected ScMo3O16 to be ScMo3O8" +mp-1377102,ScMo3O8,-8.6840378675,-2.1471271071,0.2863021081,0.2863021081,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mo-O-Sc,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_ab3c_b:Mo-O-Sc, expected ScMo3O11 to be ScMo3O8" +mp-1096677,MgSbRh2,-3.075663425,2.0388108325,2.5672875181,2.5672875181,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Rh-Sb,4.0,AB2C_oI8_71_a_e_b:Mg-Rh-Sb +mp-1185944,MgSbRh2,-5.6359745925,-0.521500335,0.0069763506,0.0069763506,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-Sb,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-Sb +mp-1016929,MgRhO3,-5.99753086,-1.2366000492,0.7168978250000001,0.7168978250000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Rh,5.0,AB3C_cP5_221_a_c_b:Mg-O-Rh +mp-2225553,MgSbRhO4,-6.3268783157,-1.629686315,0.3736265836,0.3736265836,GGA,P2,AB4CD_mP7_3_a_2e_c_b:Mg-O-Rh-Sb,7.0,"Invalid WP multiplicities - AB4CD_mP7_3_b_3e_c_a:Mg-O-Rh-Sb, expected MgSbRhO6 to be MgSbRhO4" +mp-2226702,MgSbRhO4,-6.37746524,-1.6802732393,0.3230396593,0.3230396593,GGA,Pm,AB4CD_mP7_6_a_2a2b_b_a:Mg-O-Rh-Sb,7.0,AB4CD_mP7_6_a_2a2b_b_a:Mg-O-Rh-Sb +mp-2227123,MgSbRhO4,-6.3194175486,-1.6222255479,0.3810873508,0.3810873508,GGA,Pm,AB4CD_mP7_6_a_2a2b_b_a:Mg-O-Rh-Sb,7.0,AB4CD_mP7_6_a_2a2b_b_a:Mg-O-Rh-Sb +mp-2226396,MgSbRhO4,-6.2796342729,-1.5824422721,0.4208706265,0.4208706265,GGA,Amm2,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Rh-Sb,7.0,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Rh-Sb +mp-675025,SbRhO4,-6.7488242750000005,-1.5354802825,0.03050526,-0.006408971,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Rh-Sb,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gj_c_a:O-Rh-Sb, expected SbRhO6 to be SbRhO4" +mp-754757,SbRhO4,-6.7793295350000005,-1.5659855425,0.0,-0.036914231,GGA,I4_1md,A4BC_tI24_109_2b_a_a:O-Rh-Sb,12.0,"Invalid WP multiplicities - A4BC_tI24_109_7b_a_a:O-Rh-Sb, expected SbRhO14 to be SbRhO4" +mp-2219248,MgSb2(RhO4)2,-6.5306145077,-1.5951985108,0.2288540604,0.2288540604,GGA,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Rh-Sb,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Rh-Sb +mp-2219455,MgSb2(RhO4)2,-6.4478060331,-1.5123900362,0.311662535,0.311662535,GGA,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Rh-Sb,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_8_a_4a4b_2a_2a:Mg-O-Rh-Sb, expected MgSb2(RhO6)2 to be MgSb2(RhO4)2" +mp-2219206,MgSb2(RhO4)2,-6.4254081415,-1.4899921446,0.3340604265,0.3340604265,GGA,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Rh-Sb,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_8_a_4a4b_2a_2a:Mg-O-Rh-Sb, expected MgSb2(RhO6)2 to be MgSb2(RhO4)2" +mp-3319,Mg(RhO2)2,-6.8051829364,-1.6458042743,0.0109376911,0.0109376911,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-Rh,14.0,AB4C2_cF56_227_a_e_d:Mg-O-Rh +mp-1227496,Ca2GdTaO6,-9.5360484875,-3.5735252977,0.0159179495,0.0159179495,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Gd-O-Ta,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Gd-O-Ta +mp-758332,CaGd4O7,-11.4997764948,-3.7550340099,0.0428878869,0.0428878869,GGA,P-1,AB4C7_aP48_2_2i_8i_14i:Ca-Gd-O,48.0,"Invalid WP multiplicities - AB4C7_aP48_2_3i_15i_27i:Ca-Gd-O, expected CaGd5O9 to be CaGd4O7" +mp-776418,CaGd2O4,-10.7767312843,-3.6417885407,0.0859524479,0.0859524479,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Gd-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Ca-Gd-O, expected CaGd5O13 to be CaGd2O4" +mp-754177,CaGd2O4,-10.7728518393,-3.6379090957,0.0898318929,0.0898318929,GGA,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Gd-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_63_c_f_ac2f:Ca-Gd-O, expected CaGd2O6 to be CaGd2O4" +mp-752679,CaGd2O4,-10.8071053586,-3.672162615,0.0555783736,0.0555783736,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Gd-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Gd-O +mp-1104988,Ba2Bi2Se3O2,-5.3789797167,-1.8345308283,0.0,-0.0574720622,GGA,P2_1/c,A2B2C2D3_mP18_14_e_e_e_ae:Ba-Bi-O-Se,18.0,A2B2C2D3_mC18_12_i_i_i_ai:Ba-Bi-O-Se +mp-1214379,Bi2SeO7,-5.7860559212,-1.2056848496,0.095145834,0.095145834,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Bi-O-Se,40.0,A2B7C_mP40_14_2e_7e_e:Bi-O-Se +mp-552098,Bi2SeO2,-5.585749786,-1.371696354,0.0,-0.0337439813,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Bi-O-Se,5.0,A2B2C_tI10_139_e_d_a:Bi-O-Se +mp-552265,Bi2SeO2,-4.647549566,-0.433496134,0.93820022,0.9044562387,GGA,I4/mmm,A2B2C_tI10_139_e_c_a:Bi-O-Se,5.0,A2B2C_tI10_139_e_c_a:Bi-O-Se +mp-1193554,Bi2Se3O10,-5.9289994483,-1.4199594613,0.0,-0.0552625111,GGA,C2/c,A2B10C3_mC60_15_f_5f_ef:Bi-O-Se,30.0,A2B10C3_mC60_15_f_5f_ef:Bi-O-Se +mp-2647027,Bi2Se2O,-4.920657985,-0.9967599997,0.033708073,0.033708073,GGA,P4/nmm,A2BC2_tP10_129_2c_a_2c:Bi-O-Se,10.0,A2BC2_tP10_129_2c_a_2c:Bi-O-Se +mp-29839,Bi2SeO5,-6.0821227838,-1.593331122,0.0,-0.0477669184,GGA,Aem2,A2B5C_oC64_39_2cd_ac4d_d:Bi-O-Se,32.0,"Invalid WP multiplicities - A2B5C_oC64_39_2cd_ac5d_d:Bi-O-Se, expected Bi2SeO6 to be Bi2SeO5" +mp-754798,Bi2SeO6,-5.8881667217,-1.34849761,0.0968698163,0.0968698163,GGA,Cmce,A2B6C_oC36_64_f_2ef_a:Bi-O-Se,18.0,"Invalid WP multiplicities - A2B6C_oC36_64_f_5e4f_a:Bi-O-Se, expected Bi2SeO18 to be Bi2SeO6" +mp-29833,Bi2(SeO3)3,-5.9399546677,-1.4621753038,0.0,-0.0567039041,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Bi-O-Se,56.0,A2B9C3_mP56_14_2e_9e_3e:Bi-O-Se +mp-1198307,BiSeO6,-5.1965903147,-0.5695237053000001,0.5025918808000001,0.5025918808000001,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Bi-O-Se,32.0,AB6C_mP32_14_e_6e_e:Bi-O-Se +mp-974861,Mn2Co2O5,-7.5721230622,-1.2083330922,0.5102241364,0.5102241364,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Co-Mn-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Co-Mn-O, expected Mn2Co2O9 to be Mn2Co2O5" +mp-504423,Mn3(CoO4)2,-7.9469164023,-1.694901698,0.0,-0.0043590152,GGA+U,Pmn2_1,A2B3C8_oP26_31_2a_ab_4a2b:Co-Mn-O,26.0,A2B3C8_oP26_31_2a_ab_4a2b:Co-Mn-O +mp-1181286,MnCoO3,-7.787840512,-1.5657606678,0.089941379,0.0861688125,GGA+U,C2/m,ABC3_mC20_12_i_i_3i:Co-Mn-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_6i:Co-Mn-O, expected MnCoO6 to be MnCoO3" +mp-20641,MnCoO3,-7.877781891,-1.6557020468,0.0,-0.0037725665,GGA+U,R-3,ABC3_hR30_148_c_c_f:Co-Mn-O,10.0,ABC3_hR30_148_c_c_f:Co-Mn-O +mp-1222025,Mn(CoO2)2,-7.6324974093,-1.4660108768,0.1061130564,0.1061130564,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Mn-O,14.0,A2BC4_cF56_227_c_b_e:Co-Mn-O +mp-753620,MnCo3O8,-6.9075691167,-1.0691959194,0.1937089877,0.1937089877,GGA+U,C2/m,A3BC8_mC24_12_ai_c_4i:Co-Mn-O,12.0,"Invalid WP multiplicities - A3BC8_mC24_12_a2i_d_8i:Co-Mn-O, expected MnCo5O16 to be MnCo3O8" +mp-753551,MnCo3O8,-7.0313695883,-1.1929963911,0.069908516,0.069908516,GGA+U,R-3m,A3BC8_hR36_166_d_a_ch:Co-Mn-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_a_2c3h:Co-Mn-O, expected MnCo3O22 to be MnCo3O8" +mp-773602,MnCo3O8,-7.0797766342,-1.2414034369,0.0215014702,0.0215014702,GGA+U,R-3m,A3BC8_hR36_166_d_b_ch:Co-Mn-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_b_c2h:Co-Mn-O, expected MnCo3O14 to be MnCo3O8" +mp-757029,MnCo3O8,-7.060066795,-1.2216935977,0.0412113094,0.0412113094,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Co-Mn-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Mn-O, expected Mn(CoO10)3 to be MnCo3O8" +mp-867992,MnCo3O8,-7.0448624592,-1.2064892619,0.0564156452,0.0564156452,GGA+U,P4_332,A3BC8_cP48_212_d_a_ce:Co-Mn-O,48.0,"Invalid WP multiplicities - A3BC8_cP48_212_d_a_8c9e:Co-Mn-O, expected MnCo3O70 to be MnCo3O8" +mp-756965,Mn5Co3O16,-7.5876895575,-1.4926041731000002,0.0421873484,0.0421873484,GGA+U,Cm,A3B5C16_mC48_8_ab_3ab_8a4b:Co-Mn-O,24.0,"Invalid WP multiplicities - A3B5C16_mC48_8_ab_3ab_8a6b:Co-Mn-O, expected Mn5Co3O20 to be Mn5Co3O16" +mp-1176471,MnCo9O10,-7.376235544,-1.246047416,0.1084531784,0.1084531784,GGA+U,C2/m,A9BC10_mC40_12_a4i_c_5i:Co-Mn-O,20.0,"Invalid WP multiplicities - A9BC10_mC40_12_a7i_d_8i:Co-Mn-O, expected MnCo15O16 to be MnCo9O10" +mp-756482,Mn3CoO8,-7.72886073,-1.5482046166,0.0772157765,0.0772157765,GGA+U,R-3m,AB3C8_hR36_166_a_d_ch:Co-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_d_2ch:Co-Mn-O, expected Mn3CoO10 to be Mn3CoO8" +mp-771970,Mn3CoO8,-7.782036665,-1.6013805516,0.0240398415,0.0240398415,GGA+U,R-3m,AB3C8_hR36_166_a_e_ch:Co-Mn-O,12.0,"Invalid WP multiplicities - AB3C8_hR36_166_a_e_2c3h:Co-Mn-O, expected Mn3CoO22 to be Mn3CoO8" +mp-773167,Mn3CoO8,-7.756470975,-1.5758148616,0.0496055315,0.0496055315,GGA+U,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Mn-O,24.0,"Invalid WP multiplicities - AB3C8_hP24_186_b_c_a2b9c:Co-Mn-O, expected Mn3CoO30 to be Mn3CoO8" +mp-758012,Mn3CoO8,-7.6965007544,-1.5158446409000002,0.1095757521,0.1095757521,GGA+U,P4_332,AB3C8_cP48_212_a_d_ce:Co-Mn-O,48.0,"Invalid WP multiplicities - AB3C8_cP48_212_a_d_8c9e:Co-Mn-O, expected Mn3CoO70 to be Mn3CoO8" +mp-757157,Mn(CoO2)4,-7.2409500785,-1.3048888352,0.0626288125,0.0626288125,GGA+U,P-1,A4BC8_aP13_2_abcf_d_4i:Co-Mn-O,13.0,"Invalid WP multiplicities - A4BC8_aP13_2_abcf_d_7i:Co-Mn-O, expected Mn(Co2O7)2 to be Mn(CoO2)4" +mp-773238,Mn(CoO2)4,-7.23830761,-1.3022463668,0.065271281,0.065271281,GGA+U,C2/m,A4BC8_mC26_12_bce_a_2ij:Co-Mn-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_bce_a_3i2j:Co-Mn-O, expected Mn(Co2O7)2 to be Mn(CoO2)4" +mp-756184,MnCoO4,-7.4311039408,-1.4215892855,0.0225733646,0.0225733646,GGA+U,P2_1,ABC4_mP12_4_a_a_4a:Co-Mn-O,12.0,"Invalid WP multiplicities - ABC4_mP12_4_a_a_8a:Co-Mn-O, expected MnCoO8 to be MnCoO4" +mp-752945,MnCoO4,-7.4287706617,-1.4192560063,0.0249066437,0.0249066437,GGA+U,P2/m,ABC4_mP6_10_a_e_mn:Co-Mn-O,6.0,"Invalid WP multiplicities - ABC4_mP6_10_c_e_2mn:Co-Mn-O, expected MnCoO6 to be MnCoO4" +mp-761556,MnCoO4,-7.3863170633,-1.376802408,0.0673602421,0.0673602421,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Co-Mn-O,6.0,"Invalid WP multiplicities - ABC4_oC12_65_a_c_2hi:Co-Mn-O, expected MnCoO6 to be MnCoO4" +mp-753606,MnCoO4,-7.3971404758,-1.3876258205,0.0565368296,0.0565368296,GGA+U,Imma,ABC4_oI24_74_a_c_hi:Co-Mn-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_c_h2i:Co-Mn-O, expected MnCoO6 to be MnCoO4" +mp-1176441,MnCoO4,-7.3865077917,-1.3769931363,0.0671695137,0.0671695137,GGA+U,Imma,ABC4_oI24_74_a_e_hi:Co-Mn-O,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_e_2h3i:Co-Mn-O, expected MnCoO10 to be MnCoO4" +mp-756736,Mn3Co5O16,-7.2204831217,-1.2965391954,0.0569945832,0.0569945832,GGA+U,Cm,A5B3C16_mC48_8_3ab_ab_8a4b:Co-Mn-O,24.0,"Invalid WP multiplicities - A5B3C16_mC48_8_3a2b_ab_8a6b:Co-Mn-O, expected Mn3Co7O20 to be Mn3Co5O16" +mp-761501,Mn2CoO6,-7.66715562,-1.5435466593,0.0214544861,0.0214544861,GGA+U,C2/m,AB2C6_mC18_12_a_i_3i:Co-Mn-O,9.0,"Invalid WP multiplicities - AB2C6_mC18_12_a_i_6i:Co-Mn-O, expected Mn2CoO12 to be Mn2CoO6" +mp-752633,Mn2CoO6,-7.5562848656,-1.4326759048,0.1323252406,0.1323252406,GGA+U,Cmce,AB2C6_oC36_64_a_d_fg:Co-Mn-O,18.0,"Invalid WP multiplicities - AB2C6_oC36_64_a_d_2f2g:Co-Mn-O, expected Mn2CoO12 to be Mn2CoO6" +mp-757022,Mn2Co5O12,-7.2624555826,-1.303198525,0.0885228076,0.0885228076,GGA+U,C2,A5B2C12_mC38_5_2abc_ab_6c:Co-Mn-O,19.0,A5B2C12_mC38_5_2abc_ab_6c:Co-Mn-O +mp-1221996,Mn2CoO4,-8.3022978243,-1.8424259351,0.0,-0.0362188479,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Co-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Co-Mn-O +mp-763057,Mn(CoO3)2,-7.1957510356,-1.3003306856,0.0229934692,0.0229934692,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Co-Mn-O,9.0,"Invalid WP multiplicities - A2BC6_mC18_12_i_a_6i:Co-Mn-O, expected Mn(CoO6)2 to be Mn(CoO3)2" +mp-759777,Mn(CoO3)2,-7.1962532106,-1.3008328606,0.0224912942,0.0224912942,GGA+U,Cmce,A2BC6_oC36_64_d_a_fg:Co-Mn-O,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_2f2g:Co-Mn-O, expected Mn(CoO6)2 to be Mn(CoO3)2" +mp-755442,Mn4CoO8,-8.1451461769,-1.7351547421,0.0956371302,0.0956371302,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Co-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_b_acf_3i2j:Co-Mn-O, expected Mn4CoO14 to be Mn4CoO8" +mp-755620,MnCo5O12,-6.9630321344,-1.1817060899,0.0207795696,0.0207795696,GGA+U,C2/m,A5BC12_mC36_12_agh_d_2i2j:Co-Mn-O,18.0,"Invalid WP multiplicities - A5BC12_mC36_12_a2gh_c_4i5j:Co-Mn-O, expected Mn(CoO4)7 to be MnCo5O12" +mp-1247738,Lu2MnCoO6,-8.3547837385,-2.855547099,0.055354889,0.055354889,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-Lu-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_5e:Co-Lu-Mn-O, expected Lu2MnCoO10 to be Lu2MnCoO6" +mp-755555,Mn5CoO12,-7.9024361394,-1.6647328733,0.0211067674,0.0211067674,GGA+U,C2/m,AB5C12_mC36_12_a_dgh_2i2j:Co-Mn-O,18.0,"Invalid WP multiplicities - AB5C12_mC36_12_a_cg2h_4i5j:Co-Mn-O, expected Mn7CoO28 to be Mn5CoO12" +mp-1206878,Tb3GaC,-5.648534098,-0.416562135,0.0,-0.013308762,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Tb,5.0,ABC3_cP5_221_b_a_c:C-Ga-Tb +mp-1217860,Tb2Ga3(Fe7C)2,-7.5427487805,-0.1431941046,0.0252733871,0.0252733871,GGA,C2/m,A2B14C3D2_mC42_12_e_h2i2j_af_i:C-Fe-Ga-Tb,21.0,"Invalid WP multiplicities - A2B14C3D2_mC42_12_f_2h3i3j_ae_i:C-Fe-Ga-Tb, expected Tb2Ga3(Fe11C)2 to be Tb2Ga3(Fe7C)2" +mp-1225628,ErCuPbS3,-5.4841031483,-1.3526161232,0.0,-0.0085106067,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cu-Er-Pb-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Cu-Er-Pb-S, expected ErCuPbS4 to be ErCuPbS3" +mp-1228844,Er20Cu6(Pb3S14)3,-5.9534547975,-1.7574244825,0.0127439832,0.0127439832,GGA,P1,A6B20C9D42_aP77_1_6a_20a_9a_42a:Cu-Er-Pb-S,77.0,A6B20C9D42_aP77_1_6a_20a_9a_42a:Cu-Er-Pb-S +mp-1225956,Er2PbS4,-6.11717878,-1.9180524718,0.0,-0.0035566388,GGA,Cmc2_1,A2BC4_oC112_36_4a2b_2ab_8a4b:Er-Pb-S,56.0,A2BC4_oC112_36_4a2b_2ab_8a4b:Er-Pb-S +mp-1193142,Er2PbS4,-6.1155676182,-1.91644131,0.0016111618,-0.001945477,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Pb-S,28.0,A2BC4_oP28_62_2c_c_4c:Er-Pb-S +mp-638687,Ce2(SeO3)3,-7.0295753913,-2.2528531667,0.0982758398,0.0982758398,GGA,Pnma,A2B9C3_oP56_62_d_c4d_cd:Ce-O-Se,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_4c23d_4c4d:Ce-O-Se, expected CeSe6O25 to be Ce2(SeO3)3" +mp-1198305,Ce10Se14O,-6.7484762747,-2.2196626368,0.0080983599,0.0080983599,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:Ce-O-Se,100.0,A10BC14_tI200_142_f2g_a_e3g:Ce-O-Se +mp-10777,RbCeSe2,-5.39800004,-1.9216384943,0.0,-0.1549766814,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Ce-Rb-Se +mp-552177,Ce4Se3O4,-8.0223350673,-3.1126218038,0.0090438971,0.0090438971,GGA,Amm2,A4B4C3_oC22_38_abc_abc_ac:Ce-O-Se,11.0,"Invalid WP multiplicities - A4B4C3_oC22_38_ab2c_abc_ac:Ce-O-Se, expected Ce6Se3O4 to be Ce4Se3O4" +mp-1201336,RbCeSe2O13,-5.5614143922,-0.960685014,0.4853491144,0.4853491144,GGA,P2_1/c,AB13CD2_mP68_14_e_13e_e_2e:Ce-O-Rb-Se,68.0,AB13CD2_mP68_14_e_13e_e_2e:Ce-O-Rb-Se +mp-1205034,Ce2Se4O17,-6.4075003452,-1.6273467664,0.136059139,0.136059139,GGA,Cc,A2B17C4_mC92_9_2a_17a_4a:Ce-O-Se,46.0,A2B17C4_mC92_9_2a_17a_4a:Ce-O-Se +mp-21838,Ce(SeO4)2,-6.6161445193,-1.8435607193,0.0,-0.092662125,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Ce-O-Se,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_11c_2c:Ce-O-Se, expected CeSe2O11 to be Ce(SeO4)2" +mp-541090,Ce(SeO3)2,-6.8738809906,-2.1399871708,0.0,-0.060222225,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ce-O-Se,36.0,AB6C2_mP36_14_e_6e_2e:Ce-O-Se +mp-676666,Rb2CeO3,-6.4975086517000005,-2.7084714127,0.0,-0.1770195283,GGA,C2/m,AB3C2_mC24_12_g_ij_adh:Ce-O-Rb,12.0,"Invalid WP multiplicities - AB3C2_mC24_12_g_2ij_ach:Ce-O-Rb, expected Rb2CeO4 to be Rb2CeO3" +mp-754998,Ce2SeO2,-8.365040296,-3.313946854,0.043088472,-0.0647695537,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ce-O-Se,5.0,A2B2C_tI10_139_e_d_a:Ce-O-Se +mp-754640,Ce2SeO2,-8.408128768,-3.357035326,0.0,-0.1078580257,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ce-O-Se,5.0,A2B2C_hP5_164_d_d_a:Ce-O-Se +mp-1209400,RbCeSe4,-4.2860729983,-0.8031948086,0.6487196928,0.6487196928,GGA,P4/mmm,ABC4_tP12_123_e_f_s:Ce-Rb-Se,12.0,ABC4_tP12_123_e_f_s:Ce-Rb-Se +mp-676874,Dy2Ti2O7,-9.0596575308,-3.6386231042,0.1529413472,0.1446851997,GGA,P-1,A2B7C2_aP66_2_abeh4i_21i_cdfg4i:Dy-O-Ti,66.0,"Invalid WP multiplicities - A2B7C2_aP66_2_abeh8i_41i_cdfg8i:Dy-O-Ti, expected Dy10Ti10O41 to be Dy2Ti2O7" +mp-752425,Dy2Ti2O7,-9.212598878,-3.7915644514,0.0,-0.0082561475,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Dy-O-Ti,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Dy-O-Ti, expected Dy7Ti7O27 to be Dy2Ti2O7" +mp-532384,Dy2Ti2O7,-9.1671812397,-3.7461468131,0.0454176383,0.0371614908,GGA,C2/m,A2B7C2_mC176_12_ad3i2j_12i8j_bcef3ij:Dy-O-Ti,88.0,"Invalid WP multiplicities - A2B7C2_mC176_12_ad6i6j_24i32j_bcef5i3j:Dy-O-Ti, expected Dy19Ti14O88 to be Dy2Ti2O7" +mp-1225414,Dy2Ti2O7,-8.8457039659,-3.4246695394,0.366894912,0.3586387645,GGA,Imma,A2B7C2_oI44_74_ab_3ej_cd:Dy-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ab_5e2j_cd:Dy-O-Ti, expected Dy2Ti2O13 to be Dy2Ti2O7" +mp-34322,Dy2Ti2O7,-9.1943060455,-3.7732716189,0.0182928325,0.010036685,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-Ti, expected DyTiO10 to be Dy2Ti2O7" +mp-505801,Eu2Ti2O7,-9.8639911895,-3.4156449521,0.0,-0.0067177255,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:Eu-O-Ti +mp-1184338,Eu3Ti,-9.289153725,0.3774706292,0.3774706292,0.3774706292,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Ti,4.0,A3B_tI8_139_ad_b:Eu-Ti +mp-1184332,Eu3Ti,-9.285303695,0.3813206592,0.3813206592,0.3813206592,GGA,Pm-3m,A3B_cP4_221_c_a:Eu-Ti,4.0,A3B_cP4_221_c_a:Eu-Ti +mp-676314,Dy10Ti6O27,-9.0161609922,-3.7370583014,0.1267309854,0.1267309854,GGA,Cm,A10B27C6_mC172_8_10a5b_22a16b_6a3b:Dy-O-Ti,86.0,"Invalid WP multiplicities - A10B27C6_mC172_8_10a9b_22a31b_6a4b:Dy-O-Ti, expected Dy2TiO6 to be Dy10Ti6O27" +mp-37310,Dy10Ti6O27,-9.0472050812,-3.7681023904,0.0956868965,0.0956868965,GGA,Cm,A10B27C6_mC86_8_6a2b_11a8b_2a2b:Dy-O-Ti,43.0,"Invalid WP multiplicities - A10B27C6_mC86_8_6a2b_11a16b_2a2b:Dy-O-Ti, expected Dy10Ti6O43 to be Dy10Ti6O27" +mp-674521,Dy2TiO5,-8.9919268755,-3.7616132189,0.1270033551,0.0983512887,GGA,P1,A2B5C_aP40_1_10a_25a_5a:Dy-O-Ti,40.0,A2B5C_aP40_1_10a_25a_5a:Dy-O-Ti +mp-675882,Dy2TiO5,-8.9210536883,-3.6907400316,0.1978765424,0.169224476,GGA,P1,A2B5C_aP40_1_10a_25a_5a:Dy-O-Ti,40.0,A2B5C_aP40_1_10a_25a_5a:Dy-O-Ti +mp-530316,Dy2TiO5,-9.0122943645,-3.7819807079,0.1066358661,0.0779837997,GGA,P1,A2B5C_aP64_1_16a_40a_8a:Dy-O-Ti,64.0,A2B5C_aP64_1_16a_40a_8a:Dy-O-Ti +mp-755107,Dy2TiO5,-9.0164140444,-3.7861003878,0.1025161862,0.0738641198,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Dy-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e5f_c:Dy-O-Ti, expected Dy2TiO12 to be Dy2TiO5" +mp-771165,Dy2TiO5,-9.0716181878,-3.8413045312,0.0473120428,0.0186599764,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Dy-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Dy-O-Ti, expected Dy5TiO17 to be Dy2TiO5" +mp-770816,Dy2TiO5,-9.1189302306,-3.888616574,0.0,-0.0286520664,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Dy-O-Ti,32.0,A2B5C_oP32_62_2c_5c_c:Dy-O-Ti +mp-756750,Dy2TiO5,-9.0266886856,-3.796375029,0.092241545,0.0635894786,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Dy-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Dy-O-Ti, expected Dy2TiO9 to be Dy2TiO5" +mp-779599,DyTiO3,-9.103798283,-3.6353292849,0.0572824595,0.0572824595,GGA,Pnma,AB3C_oP20_62_c_cd_a:Dy-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Dy-O-Ti, expected DyTiO7 to be DyTiO3" +mp-1516639,EuDyTi4O12,-9.1004715867,-3.2223592955,0.1473389946,0.1473389946,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Dy-Eu-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Dy-Eu-O-Ti, expected EuDyTi4O18 to be EuDyTi4O12" +mp-1212973,Eu3Ti2O7,-10.2718056725,-3.5060714715,0.0002717129,0.0002717129,GGA,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Eu-O-Ti,12.0,A3B7C2_tI24_139_ae_beg_e:Eu-O-Ti +mp-778274,Dy5Ti5O17,-9.1342478867,-3.7044292802,0.0707652963,0.0707652963,GGA,Pmn2_1,A5B17C5_oP54_31_5a_17a_5a:Dy-O-Ti,54.0,A5B17C5_oP54_31_10a_34a_10a:Dy-O-Ti +mp-675768,Dy14Ti10O41,-9.0790379994,-3.751896875,0.087447083,0.087447083,GGA,Cm,A14B41C10_mC130_8_8a3b_17a12b_4a3b:Dy-O-Ti,65.0,"Invalid WP multiplicities - A14B41C10_mC130_8_8a6b_17a24b_4a4b:Dy-O-Ti, expected Dy20Ti12O65 to be Dy14Ti10O41" +mp-1025200,Eu2TiO4,-10.3492616871,-3.4640830498,0.0,-0.0103626814,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Eu-O-Ti,7.0,A2B4C_tI14_139_e_ce_a:Eu-O-Ti +mp-1213591,EuTiO14,-5.8044631919,-0.341579706,0.8325482463,0.8325482463,GGA,Fd-3m,AB14C_cF128_227_a_cg_b:Eu-O-Ti,32.0,AB14C_cF128_227_a_cg_b:Eu-O-Ti +mp-1212797,Eu4Ti3O10,-10.2370399953,-3.5204887975,0.0032556188,0.0032556188,GGA,I4/mmm,A4B10C3_tI34_139_2e_c2eg_ae:Eu-O-Ti,17.0,A4B10C3_tI34_139_2e_c2eg_ae:Eu-O-Ti +mp-1225188,EuDyTi2O7,-9.5247596559,-3.5900693239,0.0135353778,0.0135353778,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Dy-Eu-O-Ti,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:Dy-Eu-O-Ti, expected EuDyTi2O13 to be EuDyTi2O7" +mp-1195915,Eu2TiO5,-10.0167099894,-3.3738425928,0.0,-0.0302209154,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Eu-O-Ti,32.0,A2B5C_oP32_62_2c_5c_c:Eu-O-Ti +mp-1076037,Eu2Ti2O5,-10.0578477911,-3.2757998812,0.0671703307,0.0671703307,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:Eu-O-Ti,18.0,A2B5C2_oI36_46_c_b2c_ab:Eu-O-Ti +mp-1184430,Eu2Ti2O5,-10.0824050967,-3.3003571867,0.0426130252,0.0426130252,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Eu-O-Ti,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Eu-O-Ti, expected Eu2Ti2O9 to be Eu2Ti2O5" +mp-1079111,EuTiO3,-10.164019363,-3.5655073729,0.0,-0.0477189575,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Eu-O-Ti,10.0,AB3C_tI20_140_b_ah_c:Eu-O-Ti +mp-22246,EuTiO3,-10.1548811515,-3.5563691614,0.0091382115,-0.038580746,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Ti,20.0,AB3C_cP5_221_a_c_b:Eu-O-Ti +mp-1201849,Nd3Fe5O12,-8.298028906,-2.4972882619,0.0125524305,0.0125524305,GGA+U,Ia-3d,A5B3C12_cI160_230_ad_c_h:Fe-Nd-O,80.0,A5B3C12_cI160_230_ad_c_h:Fe-Nd-O +mp-568431,Nd6Fe13Sb,-7.2732026262,-0.130794548,0.0076970465,0.0076970465,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Sb,40.0,"Invalid WP multiplicities - A13B6C_tI80_140_2d6k10l_3f3l_a:Fe-Nd-Sb, expected Nd18Fe66Sb to be Nd6Fe13Sb" +mp-20407,NdFeO3,-8.392816302,-2.7771693468,0.0,-0.0174634513,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Fe-Nd-O +mp-1180433,NdFeO3,-7.8866556665,-2.2710087113,0.5061606355,0.4886971842,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Nd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c4d:Fe-Nd-O, expected NdFeO11 to be NdFeO3" +mp-601267,NdFeO3,-7.749117703,-2.1334707478,0.643698599,0.6262351477,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Nd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c4d:Fe-Nd-O, expected NdFeO11 to be NdFeO3" +mp-1220447,Nd(FeO2)3,-8.126026521,-2.140192188,0.10231985,0.10231985,GGA+U,R3,A3BC6_hR30_146_3a_a_2b:Fe-Nd-O,10.0,A3BC6_hR30_146_3a_a_2b:Fe-Nd-O +mp-569211,NdFeSb3,-5.7085915733,-0.5835571008,0.035754771,0.035754771,GGA,Pbcm,ABC3_oP60_57_ce_de_c2d3e:Fe-Nd-Sb,60.0,"Invalid WP multiplicities - ABC3_oP60_57_2c3e_3d3e_3c7d19e:Fe-Nd-Sb, expected Nd9(FeSb6)8 to be NdFeSb3" +mp-1201926,NdFeSb3,-5.7256014378,-0.6005669653,0.0187449066,0.0187449066,GGA,Pbcm,ABC3_oP40_57_e_cd_2c2de:Fe-Nd-Sb,40.0,ABC3_oP40_57_e_cd_2c2de:Fe-Nd-Sb +mp-1220376,Nd2FeSb4,-5.6766596371,-0.7448994893,0.0626270474,0.0626270474,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Fe-Nd-Sb,7.0,AB2C4_tP7_115_c_g_abg:Fe-Nd-Sb +mp-1186277,Nd3FeO6,-8.53000074,-3.2845411625,0.0,-0.0048011302,GGA+U,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Fe-Nd-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Fe-Nd-O +mp-1209931,Nd3Fe3Sb7,-5.9311716135,-0.6529012590000001,0.020117596,0.020117596,GGA,P6_3/m,A3B3C7_hP26_176_h_h_c2h:Fe-Nd-Sb,26.0,A3B3C7_hP26_176_h_h_c2h:Fe-Nd-Sb +mp-15026,Nd(FeSb3)4,-5.5132208729,-0.3252063346,0.0,-0.0281245071,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Nd-Sb,17.0,A4BC12_cI34_204_c_a_g:Fe-Nd-Sb +mp-1220431,Nd2FeSbO7,-7.9702912345,-2.8100968442000003,0.0,-0.0054736184,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Fe-Nd-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Fe-Nd-O-Sb, expected Nd2FeSbO13 to be Nd2FeSbO7" +mp-651048,Ag9(BiO3)2,-4.1127496018,-0.4154487454,0.2524890264,0.2524890264,GGA,Cmcm,A9B2C6_oC136_63_de3f2gh_h_3h:Ag-Bi-O,68.0,"Invalid WP multiplicities - A9B2C6_oC136_63_3d4e12f8g7h_h_16h:Ag-Bi-O, expected Ag41(BiO16)2 to be Ag9(BiO3)2" +mp-28996,Ag4Bi2O5,-4.8938529243,-0.9170669398,0.0229763195,0.0229763195,GGA,Pnna,A4B2C5_oP44_52_cde_e_c2e:Ag-Bi-O,44.0,"Invalid WP multiplicities - A4B2C5_oP44_52_cd2e_e_2c4e:Ag-Bi-O, expected Ag3BiO5 to be Ag4Bi2O5" +mp-1208381,Ti4Ag2O9,-8.2856383137,-2.8344864154,0.0320983993,0.0320983993,GGA,C2/m,A2B9C4_mC60_12_2i_9i_4i:Ag-O-Ti,,A2B9C4_mC60_12_2i_9i_4i:Ag-O-Ti +mp-28729,Ag25(BiO6)3,-4.2817303172,-0.5561702242000001,0.0032778402,0.0032778402,GGA,P-3,A25B3C18_hP46_147_aef3g_bd_3g:Ag-Bi-O,46.0,"Invalid WP multiplicities - A25B3C18_hP46_147_aef6g_bd_4g:Ag-Bi-O, expected Ag43(BiO8)3 to be Ag25(BiO6)3" +mp-996968,AgBiO2,-5.2710408275,-1.1294351885,0.0363160095,0.0363160095,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ag-Bi-O,8.0,ABC2_mP8_11_e_e_2e:Ag-Bi-O +mp-996969,AgBiO2,-5.3048068637,-1.1632012248,0.0025499732,0.0025499732,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ag-Bi-O,8.0,ABC2_mP8_11_e_e_2e:Ag-Bi-O +mp-996970,AgBiO2,-5.2811459225,-1.1395402835,0.0262109145,0.0262109145,GGA,C2/m,ABC2_mC16_12_ad_i_2i:Ag-Bi-O,8.0,ABC2_mC16_12_ac_i_2i:Ag-Bi-O +mp-996982,AgBiO2,-5.2622365175,-1.1206308785,0.0451203195,0.0451203195,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Bi-O,4.0,ABC2_hR12_166_a_b_c:Ag-Bi-O +mp-996965,AgBiO2,-5.2621762737,-1.1205706348,0.0451805632,0.0451805632,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Bi-O,8.0,ABC2_hP8_194_c_a_f:Ag-Bi-O +mp-29160,TiAg2O3,-6.6096714621,-1.8762264359,0.0365062254,0.0365062254,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ag-O-Ti,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2f_3e3f_f:Ag-O-Ti, expected Ti2Ag4O9 to be TiAg2O3" +mp-28812,Ag5BiO4,-4.448196132,-0.6691937328,0.0,-0.0101393209,GGA,P2_1/c,A5BC4_mP40_14_ad4e_e_4e:Ag-Bi-O,40.0,"Invalid WP multiplicities - A5BC4_mP40_14_ab5e_e_5e:Ag-Bi-O, expected Ag6BiO5 to be Ag5BiO4" +mp-1217194,Ti2AgBiO6,-7.685268231,-2.4708520876,0.1076485735,0.1076485735,GGA,I-42m,ABC6D2_tI20_121_a_b_ci_d:Ag-Bi-O-Ti,10.0,ABC6D2_tI20_121_a_b_ci_d:Ag-Bi-O-Ti +mp-775774,AgBiO3,-5.340340333,-1.0377180796,0.026863361,0.026863361,GGA,Cmmm,ABC3_oC20_65_ab_f_hp:Ag-Bi-O,10.0,"Invalid WP multiplicities - ABC3_oC20_65_ab_f_h2p:Ag-Bi-O, expected AgBiO5 to be AgBiO3" +mp-23548,AgBiO3,-5.318382012,-1.0157597586,0.048821682,0.048821682,GGA,R-3,ABC3_hR30_148_c_c_f:Ag-Bi-O,10.0,ABC3_hR30_148_c_c_f:Ag-Bi-O +mp-505145,Ag3BiO3,-4.6781257543,-0.7955224295000001,0.0155448649,0.0155448649,GGA,I4_1,A3BC3_tI112_80_6b_2b_6b:Ag-Bi-O,56.0,"Invalid WP multiplicities - A3BC3_tI112_80_24b_5b_22b:Ag-Bi-O, expected Ag24Bi5O22 to be Ag3BiO3" +mp-561113,Ag2BiO3,-4.9860293638,-0.928418152,0.0012473537,-0.0003408653,GGA,Pc,A2BC3_mP24_7_4a_2a_6a:Ag-Bi-O,24.0,"Invalid WP multiplicities - A2BC3_mP24_7_7a_2a_12a:Ag-Bi-O, expected Ag7(BiO6)2 to be Ag2BiO3" +mp-23558,Ag2BiO3,-4.9872767175,-0.9296655058,0.0,-0.001588219,GGA,Pnn2,A2BC3_oP24_34_2c_ab_3c:Ag-Bi-O,24.0,"Invalid WP multiplicities - A2BC3_oP24_34_4c_ab_3c:Ag-Bi-O, expected Ag4BiO3 to be Ag2BiO3" +mp-558712,Ag2BiO3,-4.983053015,-0.9254418033,0.0042237025,0.0026354835,GGA,Pnna,A2BC3_oP24_52_ad_c_de:Ag-Bi-O,24.0,"Invalid WP multiplicities - A2BC3_oP24_52_3a3d_c_3d4e:Ag-Bi-O, expected Ag6BiO11 to be Ag2BiO3" +mp-1111141,Na2CoAuF6,-4.475543942,-2.0259315233,0.2765854985,0.2765854985,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Co-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Co-F-Na +mp-1189914,ZnSi(AgS2)2,-4.3597275888,-0.7477309495000001,0.0,-0.0112551381,GGA,Pc,A2B4CD_mP16_7_2a_4a_a_a:Ag-S-Si-Zn,16.0,A2B4CD_mP16_7_2a_4a_a_a:Ag-S-Si-Zn +mp-1197527,Na3Th10BeF45,-7.1443837204,-4.2992629614,0.0043405559,0.0043405559,GGA,P4_2/ncm,AB45C3D10_tP236_138_b_egh6i7j_ei_i2j:Be-F-Na-Th,236.0,AB45C3D10_tP236_138_b_egh6i7j_ei_i2j:Be-F-Na-Th +mp-3855,Na2BeF4,-5.2717568914,-3.2674169883,0.0031524311,-0.0656988112,GGA,P2_1/c,AB4C2_mP28_14_e_4e_2e:Be-F-Na,28.0,AB4C2_mP28_14_e_4e_2e:Be-F-Na +mp-3318,Na2BeF4,-5.2749093225,-3.2705694194,0.0,-0.0688512423,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Be-F-Na,28.0,AB4C2_oP28_62_c_2cd_ac:Be-F-Na +mp-1216577,V2CrTe4,-6.2839384843,-0.5133551724000001,0.0223373849,0.0223373849,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Cr-Te-V,7.0,AB4C2_mC14_8_a_4a_2a:Cr-Te-V +mp-1025278,V2CrTe4,-6.2799407357,-0.5093574238,0.0263351334,0.0263351334,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Cr-Te-V,7.0,AB4C2_mC14_12_a_2i_i:Cr-Te-V +mp-1221589,MnVTe2,-6.3087921125,-0.1756588253,0.2761669307,0.2761669307,GGA,P-3m1,AB2C_hP4_164_a_d_b:Mn-Te-V,4.0,AB2C_hP4_164_a_d_b:Mn-Te-V +mp-864953,MnV2Cr,-9.4325501375,-0.186831412,0.0,-0.0240105625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Mn-V,4.0,ABC2_cF16_225_a_b_c:Cr-Mn-V +mp-1221907,Mn3CrTe4,-6.505781925,-0.2917423101,0.0446366662,0.0446366662,GGA,P-3m1,AB3C4_hP8_164_a_bc_2d:Cr-Mn-Te,8.0,"Invalid WP multiplicities - AB3C4_hP8_164_a_bc_4d:Cr-Mn-Te, expected Mn3CrTe8 to be Mn3CrTe4" +mp-1221613,MnV(CrTe2)2,-6.5725007138,-0.3068457293,0.1351395014,0.1351395014,GGA,P2/m,A2BC4D_mP8_10_bc_e_mn_g:Cr-Mn-Te-V,8.0,"Invalid WP multiplicities - A2BC4D_mP8_10_bc_d_2mn_h:Cr-Mn-Te-V, expected MnV(CrTe3)2 to be MnV(CrTe2)2" +mp-1221638,MnCr3Te4,-6.5969058113,-0.2601081518,0.1278095403,0.1278095403,GGA,P2/m,A3BC4_mP8_10_bce_g_mn:Cr-Mn-Te,8.0,"Invalid WP multiplicities - A3BC4_mP8_10_bcd_h_2mn:Cr-Mn-Te, expected Mn(CrTe2)3 to be MnCr3Te4" +mp-1221834,MnCr3Te4,-6.5962322763,-0.2594346168,0.1284830753,0.1284830753,GGA,C2/m,A3BC4_mC16_12_ai_d_2i:Cr-Mn-Te,8.0,"Invalid WP multiplicities - A3BC4_mC16_12_ai_c_3i:Cr-Mn-Te, expected Mn(CrTe2)3 to be MnCr3Te4" +mp-1216600,V(CrTe2)2,-6.3101971500000005,-0.4583079238,0.0312056074,0.0312056074,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Cr-Te-V,7.0,A2B4C_mC14_8_2a_4a_a:Cr-Te-V +mp-1025344,V(CrTe2)2,-6.3239299443,-0.4720407181,0.0174728131,0.0174728131,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Cr-Te-V,7.0,A2B4C_mC14_12_i_2i_a:Cr-Te-V +mp-1221774,MnCrTe2,-6.5510292125,-0.2756105753,0.0937558432,0.0937558432,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Mn-Te,4.0,ABC2_hP4_164_a_b_d:Cr-Mn-Te +mp-1223667,K2BaSnTe4,-3.7566281237,-1.166307091,0.0086398656,0.0086398656,GGA,I-42m,AB2CD4_tI16_121_a_c_b_i:Ba-K-Sn-Te,8.0,AB2CD4_tI16_121_a_c_b_i:Ba-K-Sn-Te +mp-1202710,BaGd2Sc2O7,-10.2259817237,-3.7790668397,0.0,-0.0029411699,GGA,P4_2/mnm,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Gd-O-Sc,48.0,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Gd-O-Sc +mp-31037,CuTe2I,-3.4037280556,-0.438931854,0.0,-0.100098293,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-I-Te,16.0,ABC2_mP16_14_e_e_2e:Cu-I-Te +mp-1213068,CuTeSeI,-3.4201809575,-0.3672333598,0.0582876343,0.0582876343,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cu-I-Se-Te,16.0,ABCD_mP16_14_e_e_e_e:Cu-I-Se-Te +mp-29450,CuSe3I,-3.390994607,-0.1789331164,0.1255862283,0.1255862283,GGA,R-3m,ABC3_hR90_166_h_f_3h:Cu-I-Se,30.0,ABC3_hR90_166_h_f_3h:Cu-I-Se +mp-1112328,CsK2AlBr6,-3.398677398,-1.7806827904,0.170327097,0.170327097,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-Cs-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-Cs-K +mp-1113061,Cs2KAlBr6,-3.495457167,-1.8989622169,0.056889984,0.056889984,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Br-Cs-K +mp-555804,Na3Nd14(RuO6)6,-8.0484788378,-2.8883288585,0.0,-0.00300429,GGA,R-3c,A3B14C36D6_hR354_167_ac_c2f_6f_bce:Na-Nd-O-Ru,118.0,"Invalid WP multiplicities - A3B14C36D6_hR354_167_2a3c_4c13f_57f_2b3c3e:Na-Nd-O-Ru, expected Na8Nd86Ru17O342 to be Na3Nd14(RuO6)6" +mp-11892,NaNd2RuO6,-7.6579017435,-2.6765662469,0.0375609178,0.0375609178,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Na-Nd-O-Ru,20.0,AB2C6D_mP20_14_a_e_3e_b:Na-Nd-O-Ru +mp-757194,Ni(TeO3)4,-5.8832230579,-1.3118333645,0.0867743241,0.0867743241,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Ni-O-Te,68.0,AB12C4_aP17_1_a_12a_4a:Ni-O-Te +mp-1197396,Ni3(TeO4)2,-6.0313682029,-1.1697888554,0.2403029234,0.2403029234,GGA+U,P2_1,A3B8C2_mP52_4_6a_16a_4a:Ni-O-Te,52.0,"Invalid WP multiplicities - A3B8C2_mP52_4_12a_31a_7a:Ni-O-Te, expected Ni12Te7O31 to be Ni3(TeO4)2" +mp-1237476,Ni3(TeO4)2,-6.112112391,-1.2505330435,0.1595587353,0.1595587353,GGA+U,P2_1,A3B8C2_mP52_4_6a_16a_4a:Ni-O-Te,52.0,"Invalid WP multiplicities - A3B8C2_mP52_4_12a_31a_7a:Ni-O-Te, expected Ni12Te7O31 to be Ni3(TeO4)2" +mp-504692,NiTe2O5,-6.0542686531,-1.4542446503,0.0043644698,0.0043644698,GGA+U,Pnma,AB5C2_oP64_62_d_2c4d_2cd:Ni-O-Te,64.0,AB5C2_oP64_62_d_2c4d_2cd:Ni-O-Te +mp-1046640,Ni5(TeO6)3,-5.7751263808,-0.8762418468000001,0.3077108296,0.3077108296,GGA+U,C2/c,A5B18C3_mC104_15_e2f_9f_af:Ni-O-Te,52.0,"Invalid WP multiplicities - A5B18C3_mC104_15_e4f_35f_c2f:Ni-O-Te, expected Ni9(TeO14)5 to be Ni5(TeO6)3" +mp-19448,Ni3TeO6,-6.3997915665,-1.3834067464,0.0,-0.0484830615,GGA+U,R3,A3B6C_hR30_146_3a_2b_a:Ni-O-Te,20.0,A3B6C_hR30_146_3a_2b_a:Ni-O-Te +mp-1196304,NiTe6O13,-5.914273471,-1.4669272067,0.0138469484,0.0138469484,GGA+U,R-3,AB13C6_hR120_148_c_c4f_2f:Ni-O-Te,40.0,AB13C6_hR120_148_c_c4f_2f:Ni-O-Te +mp-756164,Ni5(TeO6)2,-6.1929624284,-1.2167750746,0.0983973847,0.0983973847,GGA+U,C2,A5B12C2_mC38_5_2abc_6c_ab:Ni-O-Te,19.0,A5B12C2_mC38_5_2abc_6c_ab:Ni-O-Te +mp-1209810,NiTeO3,-6.125591271,-1.3728895296,0.0463462223,0.0463462223,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Te,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Te +mp-1209979,NiTeO3,-5.884570983,-1.1318692416,0.2873665103,0.2873665103,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ni-O-Te,20.0,AB3C_oP20_62_c_cd_a:Ni-O-Te +mp-17360,Ni2Te3O8,-6.1088303165,-1.4500841065,0.0,-0.0139566258,GGA+U,C2/c,A2B8C3_mC52_15_f_4f_ef:Ni-O-Te,26.0,"Invalid WP multiplicities - A2B8C3_mC52_15_f_5f_ef:Ni-O-Te, expected Ni2Te3O10 to be Ni2Te3O8" +mp-755176,NiTeO4,-6.0982811046,-1.3132482015,0.0991436421,0.0520379307,GGA+U,P2/m,AB4C_mP6_10_b_mn_c:Ni-O-Te,24.0,AB4C_mP6_10_b_mn_c:Ni-O-Te +mp-1220014,NiTeO4,-6.1974247467,-1.4123918436,0.0,-0.0471057114,GGA+U,P2_1/c,AB4C_mP12_14_a_2e_d:Ni-O-Te,24.0,AB4C_mP12_14_a_2e_b:Ni-O-Te +mp-1101434,NiTeO4,-6.0759053058,-1.2908724028,0.1215194408,0.0744137294,GGA+U,Imma,AB4C_oI24_74_a_hi_c:Ni-O-Te,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_3h2i_c:Ni-O-Te, expected NiTeO10 to be NiTeO4" +mp-704879,Ni5Te4(BrO6)2,-6.2944679159,-1.7753275607,0.0,-0.4358670047,GGA+U,C2/c,A2B5C12D4_mC92_15_f_e2f_6f_2f:Br-Ni-O-Te,46.0,"Invalid WP multiplicities - A2B5C12D4_mC92_15_f_e5f_19f_3f:Br-Ni-O-Te, expected Ni11Te6(BrO19)2 to be Ni5Te4(BrO6)2" +mp-756598,ErTa3O9,-10.0336026365,-3.5211987826,0.0035789981,0.0035789981,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:Er-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_5e6f_af:Er-O-Ta, expected ErTa3O17 to be ErTa3O9" +mp-773069,ErTa3O9,-10.0062873912,-3.4938835372,0.0308942435,0.0308942435,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:Er-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_12c9d_2a2d:Er-O-Ta, expected ErTa6O30 to be ErTa3O9" +mp-773103,ErTa7O19,-10.142252435,-3.4178358523,0.0093064272,0.0093064272,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Er-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh6k10l_c2l:Er-O-Ta, expected ErTa13O82 to be ErTa7O19" +mp-3444,ErTaO4,-9.7798328725,-3.7444576583,0.0,-0.0551425669,GGA,P2/c,AB4C_mP12_13_e_2g_f:Er-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Er-O-Ta +mp-5503,ErTaO4,-9.7757689167,-3.7403937025,0.0040639558,-0.051078611,GGA,C2/c,AB4C_mC24_15_e_2f_e:Er-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Er-O-Ta +mp-1184204,ErTaO3,-9.040627106,-2.7875145912,0.7205442056,0.7205442056,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Er-O-Ta,5.0,AB3C_cP5_221_a_c_b:Er-O-Ta +mp-1233755,CaEr6Ta2O14,-8.8498485748,-3.5289307505,0.2759523383,0.2759523383,GGA,C2,AB6C14D2_mC46_5_a_ab2c_7c_ab:Ca-Er-O-Ta,23.0,"Invalid WP multiplicities - AB6C14D2_mC46_5_a_ab3c_10c_ab:Ca-Er-O-Ta, expected CaEr8Ta2O20 to be CaEr6Ta2O14" +mp-756277,Er3TaO7,-9.3596120964,-3.8879980019,0.0,-0.0010858823,GGA,P-1,A3B7C_aP22_2_3i_7i_ab:Er-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_aP22_2_5i_13i_ab:Er-O-Ta, expected Er5TaO13 to be Er3TaO7" +mp-755898,Er3TaO7,-9.3533478855,-3.881733791,0.0062642109,0.0051783286,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Er-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b7c_a:Er-O-Ta, expected Er5TaO20 to be Er3TaO7" +mp-773067,Er3TaO7,-9.3402467539,-3.8686326594,0.0193653425,0.0182794602,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Er-O-Ta,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:Er-O-Ta, expected Er7TaO22 to be Er3TaO7" +mp-756160,Er3TaO7,-9.3236266918,-3.8520125974,0.0359854045,0.0348995223,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Er-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Er-O-Ta, expected Er5TaO13 to be Er3TaO7" +mp-754693,Lu(BiO2)3,-6.812152028,-2.2398970102,0.0380449173,0.0380449173,GGA,R-3,A3BC6_hR60_148_f_ab_2f:Bi-Lu-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_148_f_ab_7f:Bi-Lu-O, expected Lu(BiO7)3 to be Lu(BiO2)3" +mp-23445,Bi2Ru2O7,-7.0958476973,-1.5634291228,0.0,-0.0122833155,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Bi-O-Ru +mp-772801,LuBiO3,-7.475031207,-2.8347300503,0.0588451416,0.0588451416,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-Lu-O,10.0,ABC3_hR30_148_c_c_f:Bi-Lu-O +mp-1176501,LuBiO3,-7.506134075,-2.8658329182,0.0277422736,0.0277422736,GGA,R3c,ABC3_hR30_161_a_a_b:Bi-Lu-O,10.0,ABC3_hR30_161_a_a_b:Bi-Lu-O +mp-685341,Bi16Ru16O55,-7.0795647375,-1.5404136359,0.0154509451,0.0154509451,GGA,R-3m,A16B55C16_hR522_166_4cde3h_7c16h_ab3c4h:Bi-O-Ru,174.0,"Invalid WP multiplicities - A16B55C16_hR522_166_8c3d3e13h_14c94h_ab6c11h:Bi-O-Ru, expected Bi7Ru5O37 to be Bi16Ru16O55" +mp-686128,Bi15Ru16O55,-7.105058609,-1.546155624,0.0117054209,0.0117054209,GGA,Cm,A15B55C16_mC344_8_14a8b_46a32b_16a8b:Bi-O-Ru,172.0,"Invalid WP multiplicities - A15B55C16_mC344_8_14a11b_46a64b_16a15b:Bi-O-Ru, expected Bi18Ru23O87 to be Bi15Ru16O55" +mp-1222434,Lu3Bi(Ru2O7)2,-7.9803137164,-2.3551049524,0.0386115897,0.0386115897,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Bi-Lu-O-Ru,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c4h_be:Bi-Lu-O-Ru, expected Lu3Bi(Ru2O13)2 to be Lu3Bi(Ru2O7)2" +mp-557903,Lu2Ru2O7,-8.2755392218,-2.6194003947,0.0510786206,0.0510786206,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-Ru,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Lu-O-Ru, expected LuRuO7 to be Lu2Ru2O7" +mp-504468,Bi3Ru3O11,-7.0689675474,-1.5537763218,0.0,-0.0143281326,GGA,Pn-3,A3B11C3_cP68_201_be_efh_g:Bi-O-Ru,68.0,A3B11C3_cP68_201_be_efh_g:Bi-O-Ru +mp-753640,BiRu2O7,-7.05670341,-1.3550918911,0.0655628729,0.0655628729,GGA,I2_12_12_1,AB7C2_oI40_24_a_3b2d_ac:Bi-O-Ru,20.0,"Invalid WP multiplicities - AB7C2_oI40_24_a_6b6d_ac:Bi-O-Ru, expected Bi(RuO9)2 to be BiRu2O7" +mp-1214239,Bi12RuO20,-6.2669733867,-1.5913962253,0.0544325145,0.0544325145,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Ru,33.0,A12B20C_cI66_197_f_2cf_a:Bi-O-Ru +mp-1198740,Li7Nd3Zr2O12,-7.427139078,-3.0886987381,0.0134061116,0.0134061116,GGA,I4_1/acd,A7B3C12D2_tI192_142_afg_be_3g_c:Li-Nd-O-Zr,96.0,A7B3C12D2_tI192_142_afg_be_3g_c:Li-Nd-O-Zr +mp-1208156,Yb2EuO4,-7.8464457207,-3.1145924057,0.1003726036,0.1003726036,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-O-Yb,,AB4C2_oP28_62_c_4c_2c:Eu-O-Yb +mp-1207676,YbEu3O6,-9.32015197,-3.1210773753,0.0,-0.0061296916,GGA,Ia-3,A3B6C_cI80_206_d_e_a:Eu-O-Yb,,A3B6C_cI80_206_d_e_a:Eu-O-Yb +mp-1187715,YbEuO3,-7.801571602,-2.4742363592,0.5745749961000001,0.5745749961000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Yb,,AB3C_cP5_221_a_c_b:Eu-O-Yb +mp-1206702,YbEu2TaO6,-9.67540017,-3.3162479923,0.1195530499,0.1195530499,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Yb,,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Yb +mp-1224531,Ho3Al2(Ni3H4)2,-4.8796981142,-0.5080661821,0.1110644975,0.1110644975,GGA,I4/mmm,A2B8C3D6_tI76_139_f_cdim_ej_hn:Al-H-Ho-Ni,38.0,"Invalid WP multiplicities - A2B8C3D6_tI76_139_f_c2d2im_2e2j_4h4n:Al-H-Ho-Ni, expected Ho6Al2Ni24H11 to be Ho3Al2(Ni3H4)2" +mp-1223999,HoAl8Ni3,-4.6239913192,-0.30003919,0.2344330399,0.2344330399,GGA,Amm2,A8BC3_oC24_38_ab3c_a_a2b:Al-Ho-Ni,,"Invalid WP multiplicities - A8BC3_oC24_38_ab5c_a_a2b:Al-Ho-Ni, expected Ho(Al4Ni)3 to be HoAl8Ni3" +mp-1223899,HoAlNi4,-5.771762865,-0.5303409617,0.0,-0.0261546295,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Ho-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Ho-Ni +mp-1224123,HoAlNi4,-5.7065491967,-0.4651272933,0.0652136683,0.0390590388,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Ho-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Ho-Ni +mp-1069801,Ho2AlNi2,-5.450944308,-0.556810922,0.0003067437,0.0003067437,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ho-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Ho-Ni +mp-16503,HoAl2Ni,-5.10886699,-0.6454426875,0.0,-0.0362653031,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ho-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Ho-Ni +mp-1224133,HoAlNi,-5.2282926517,-0.525585525,0.0907776661,0.0706172928,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Ho-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Ho-Ni, expected Ho3(AlNi)2 to be HoAlNi" +mp-1224159,HoAlNi,-5.221751505,-0.5190443783,0.0973188128,0.0771584394,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Al-Ho-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Al-Ho-Ni, expected Ho3(AlNi)2 to be HoAlNi" +mp-2909,HoAlNi,-5.3190703178,-0.6163631911,0.0,-0.0201603733,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Ho-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Ho-Ni +mp-1191645,Ho3AlNi8,-5.7747393758,-0.4635813858,0.0337991183,0.0337991183,GGA,P6_3/mmc,AB3C8_hP24_194_a_cf_bdk:Al-Ho-Ni,24.0,AB3C8_hP24_194_a_cf_bdk:Al-Ho-Ni +mp-30791,Ho3(AlNi3)2,-5.6615399568,-0.5779764705,0.0,-0.0343331294,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Al-Ho-Ni,22.0,A2B3C6_cI44_229_c_e_h:Al-Ho-Ni +mp-1212127,HoAl3Ni2,-5.21732683,-0.6540918767,0.0,-0.00418342,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Ho-Ni,18.0,A3BC2_hP18_191_fk_ad_l:Al-Ho-Ni +mp-16504,HoAl4Ni,-4.7724439175,-0.5483024392,0.0,-0.0234804383,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ho-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Ho-Ni +mp-1093559,Li2InHg,-0.935971205,0.7823312521,1.103809185,1.0966988163,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-In-Li,4.0,ABC2_oI8_71_a_b_e:Hg-In-Li +mp-1184978,Li2InHg,-2.03978039,-0.3214779329,0.0,-0.0071103687,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-In-Li,4.0,ABC2_cF16_225_a_b_c:Hg-In-Li +mp-753983,In2HgO4,-5.2602332214,-1.6039756971,0.0055261282,0.0055261282,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Hg-In-O,14.0,AB2C4_cF56_227_a_d_e:Hg-In-O +mp-1097399,LiInHg2,-0.6890838300000001,0.6279080017,0.8171398400000001,0.8148100612,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Li,4.0,A2BC_oI8_71_e_a_b:Hg-In-Li +mp-1185367,LiInHg2,-1.50622367,-0.1892318383,0.0,-0.0023297788,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-In-Li,4.0,A2BC_cF16_225_c_a_b:Hg-In-Li +mp-1206880,Li2HgO2,-4.307147352,-1.5041666478,0.0,-0.0114776545,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Hg-Li-O,5.0,AB2C2_tI10_139_a_e_e:Hg-Li-O +mp-1235327,LiIn4(HgO4)2,-5.100437736,-1.5606691889,0.1163449446,0.1163449446,GGA,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Hg-In-Li-O,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_a2d_b_c2h:Hg-In-Li-O, expected LiIn7(HgO7)2 to be LiIn4(HgO4)2" +mp-1236709,LiIn4(HgO4)2,-4.9318510927,-1.3920825456,0.2849315879,0.2849315879,GGA,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Hg-In-Li-O,15.0,"Invalid WP multiplicities - A2B4CD8_cF60_216_ac_e_b_4e:Hg-In-Li-O, expected LiIn4(HgO8)2 to be LiIn4(HgO4)2" +mp-1093630,LiGe2Rh,-2.9835771600000003,1.6462444517,2.0592094206,2.0592094206,GGA,Immm,A2BC_oI8_71_e_a_b:Ge-Li-Rh,4.0,A2BC_oI8_71_e_a_b:Ge-Li-Rh +mp-1222349,LiGeRhO4,-6.7043858621,-1.8925267998,0.0,-0.0564021464,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Ge-Li-O-Rh,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Ge-Li-O-Rh, expected LiGeRhO8 to be LiGeRhO4" +mp-13322,LiGeRh2,-5.9644849075,-0.6493432921,0.0,-0.2650007797,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Ge-Li-Rh +mp-1097421,ScGa2Ir,-3.1655460225,2.14122781,2.8237125941,2.8237125941,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-Ir-Sc,4.0,A2BC_oI8_71_e_a_b:Ga-Ir-Sc +mp-1193281,Sc6Ga16Ir7,-5.7566909569,-0.6424361207,0.0,-0.0359115708,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Ir-Sc +mp-867916,ScGaIr2,-7.5635526375,-0.8041942656000001,0.0,-0.0635915345,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ir-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Ir-Sc +mp-28924,Ga8BIr4,-5.5383122877,-0.4415510053,0.0,-0.0253617869,GGA,I4_1/acd,AB8C4_tI104_142_b_2g_df:B-Ga-Ir,52.0,"Invalid WP multiplicities - AB8C4_tI104_142_b_3g_df:B-Ga-Ir, expected Ga12BIr4 to be Ga8BIr4" +mp-972899,Sc2GaIr,-6.938202155,-0.8053350519,0.0251485025,0.0251485025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Ir-Sc,4.0,ABC2_cF16_225_a_b_c:Ga-Ir-Sc +mp-1208983,Sc2GaB2Ir5,-8.167554538,-0.8431556706000001,0.0,-0.1291669029,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Ir-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Ir-Sc +mp-1096568,LiCu2Au,-1.9142605325,1.4310440192,1.7021575525,1.7021575525,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Cu-Li,4.0,AB2C_oI8_71_a_e_b:Au-Cu-Li +mp-996978,CuAuO2,-5.0152656,-0.6986490769,0.0,-0.0358432108,GGA,C2/m,ABC2_mC8_12_a_d_i:Au-Cu-O,4.0,ABC2_mC8_12_a_c_i:Au-Cu-O +mp-754126,CuAuO2,-4.99240013,-0.6757836069000001,0.02286547,-0.0129777408,GGA,R-3m,ABC2_hR12_166_a_b_c:Au-Cu-O,4.0,ABC2_hR12_166_a_b_c:Au-Cu-O +mp-1235594,LiCuAuO2,-4.756731318,-0.9216535262,0.23932052,0.23932052,GGA,Cm,ABCD2_mC10_8_a_a_a_2a:Au-Cu-Li-O,5.0,ABCD2_mC10_8_a_a_a_2a:Au-Cu-Li-O +mp-1236152,LiCuAuO2,-4.783220874,-0.9481430822,0.212830964,0.212830964,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Au-Cu-Li-O,5.0,ABCD2_hR15_160_a_a_a_2a:Au-Cu-Li-O +mp-7471,Li3AuO3,-5.0775123296,-1.6716956534,0.0,-0.0281936971,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Au-Li-O,28.0,AB3C3_tP28_136_f_fi_gi:Au-Li-O +mp-996961,LiAuO2,-4.9727325412,-1.203686969,0.0340684075,-0.0374408498,GGA,C2/c,ABC2_mC16_15_c_e_f:Au-Li-O,8.0,ABC2_mC16_15_a_e_f:Au-Li-O +mp-996959,LiAuO2,-5.0068009487,-1.2377553765,0.0,-0.0715092573,GGA,I4_122,ABC2_tI16_98_a_b_f:Au-Li-O,8.0,ABC2_tI16_98_a_b_f:Au-Li-O +mp-675606,Li5AuO4,-4.983348478,-1.7228233602,0.082977228,0.0659702007,GGA,P-1,AB5C4_aP10_2_b_e2i_2i:Au-Li-O,10.0,"Invalid WP multiplicities - AB5C4_aP10_2_b_e3i_3i:Au-Li-O, expected Li7AuO6 to be Li5AuO4" +mp-1222442,Li5AuO4,-5.066325706,-1.8058005882,0.0,-0.0170070273,GGA,C2/m,AB5C4_mC20_12_a_dgh_j:Au-Li-O,10.0,"Invalid WP multiplicities - AB5C4_mC20_12_a_c2gh_j:Au-Li-O, expected Li7AuO4 to be Li5AuO4" +mp-780960,Li5AuO4,-2.2392056825,1.0213194353,2.8271200235,2.8101129962,GGA,C2/c,AB5C4_mC40_15_e_e2f_2f:Au-Li-O,20.0,"Invalid WP multiplicities - AB5C4_mC40_15_e_2e6f_2f:Au-Li-O, expected Li14AuO4 to be Li5AuO4" +mp-757242,Li5AuO4,-5.0657194825,-1.8051943647,0.0006062235,-0.0164008038,GGA,Fddd,AB5C4_oF80_70_a_b2e_h:Au-Li-O,20.0,"Invalid WP multiplicities - AB5C4_oF80_70_a_2b6e_h:Au-Li-O, expected Li14AuO4 to be Li5AuO4" +mp-1093772,Li2CuAu,-2.02567054,0.7720630608,1.1113715437,1.1113715437,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cu-Li,4.0,ABC2_oI8_71_a_b_e:Au-Cu-Li +mp-1097525,LiCuAu2,-2.1589931925,0.9799801917,1.2975211513,1.2975211513,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cu-Li,4.0,A2BC_oI8_71_e_a_b:Au-Cu-Li +mp-1185322,LiCuAu2,-3.4420550825,-0.3030816983,0.0144592613,0.0144592613,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-Cu-Li,4.0,A2BC_cF16_225_c_a_b:Au-Cu-Li +mp-1210064,Nd2Ta3(SeO4)2,-9.2731046468,-3.1614406201,0.0083121192,0.0083121192,GGA,Pnnm,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:Nd-O-Se-Ta,60.0,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:Nd-O-Se-Ta +mp-1048554,Ba2Ni3O7,-5.93992291,-1.2894911684,0.4308831996,0.4308831996,GGA+U,Pmmm,A2B3C7_oP12_47_l_ai_cijk:Ba-Ni-O,12.0,A2B3C7_oP12_47_l_ai_cijk:Ba-Ni-O +mp-18943,BaNiO2,-6.30260103,-1.9044787694,0.1170213812,0.1170213812,GGA+U,Cmcm,ABC2_oC16_63_c_a_g:Ba-Ni-O,8.0,ABC2_oC16_63_c_a_g:Ba-Ni-O +mp-27957,Ba3NiO4,-6.2874516006,-2.3719745575,0.050914945,0.050914945,GGA+U,R-3c,A3BC4_hR48_167_e_a_be:Ba-Ni-O,16.0,"Invalid WP multiplicities - A3BC4_hR48_167_e_a_b2e:Ba-Ni-O, expected Ba3NiO7 to be Ba3NiO4" +mp-1048486,BaNi4O7,-6.0235736208,-1.0513784009,0.3182769675,0.3182769675,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Ni-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Ni-O +mp-32310,Ba3Ta2NiO9,-8.4774106147,-3.1592229373,0.0,-0.0407383334,GGA+U,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Ni-O-Ta,60.0,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Ni-O-Ta +mp-32308,Ta2NiO6,-9.4685577189,-2.8934661403,0.0,-0.0275985744,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ni-O-Ta,18.0,AB6C2_tP18_136_a_fj_e:Ni-O-Ta +mp-1228660,Ba4Ta10NiO30,-9.5571673933,-3.3252901916,0.0073078923,0.0073078923,GGA+U,Imm2,A4BC30D10_oI90_44_2a2b_a_ab2c4d4e_c2e:Ba-Ni-O-Ta,45.0,"Invalid WP multiplicities - A4BC30D10_oI90_44_2a2b_a_ab2c8d4e_c2e:Ba-Ni-O-Ta, expected Ba4Ta10NiO38 to be Ba4Ta10NiO30" +mp-541426,Ba6(NiO3)5,-6.3351606423,-1.9268966535,0.0018978602,0.0018978602,GGA+U,R32,A6B5C15_hR78_155_de_a2c_e2f:Ba-Ni-O,26.0,A6B5C15_hR78_155_de_a2c_e2f:Ba-Ni-O +mp-19241,BaNiO3,-6.328540503,-1.8207049523,0.0,-0.030591858,GGA+U,P6_3mc,ABC3_hP10_186_b_a_c:Ba-Ni-O,10.0,ABC3_hP10_194_c_a_h:Ba-Ni-O +mp-19138,BaNiO3,-6.328400857,-1.8205653062,0.000139646,-0.030452212,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_h:Ba-Ni-O,10.0,ABC3_hP10_194_c_a_h:Ba-Ni-O +mp-1120765,BaNiO3,-6.204349126,-1.6965135753,0.124191377,0.093599519,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Ni-O,5.0,ABC3_cP5_221_a_b_c:Ba-Ni-O +mp-1401956,Ba2Ni3O8,-5.9296302108,-1.2564094715,0.3321415087,0.3321415087,GGA+U,P4/mmm,A2B3C8_tP13_123_h_ag_fgi:Ba-Ni-O,13.0,"Invalid WP multiplicities - A2B3C8_tP13_123_h_a2g_2f2g2i:Ba-Ni-O, expected Ba2Ni5O16 to be Ba2Ni3O8" +mp-1047829,Ba(NiO2)4,-5.7975208277,-0.8272876469,0.4370096163,0.4370096163,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Ni-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Ni-O +mp-18991,Ba(NiO2)4,-6.2076553492,-1.2374221685,0.0268750947,0.0268750947,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ba-Ni-O,26.0,AB4C8_hR39_166_a_bd_ch:Ba-Ni-O +mp-1228055,BaInGa,-3.019984165,-0.4537326008,0.0188827567,0.0188827567,GGA,C2/m,ABC_mC12_12_i_i_i:Ba-Ga-In,6.0,ABC_mC12_12_i_i_i:Ba-Ga-In +mp-1106089,Ba2InGaO5,-6.3890356439,-2.5722386229,0.0,-0.0057887838,GGA,Ima2,A2BCD5_oI36_46_c_b_a_b2c:Ba-Ga-In-O,18.0,A2BCD5_oI36_46_c_b_a_b2c:Ba-Ga-In-O +mp-35835,Ag(AuS)2,-3.698052964,-0.1674090166,0.0511891787,0.0511891787,GGA,Pc,AB2C2_mP10_7_a_2a_2a:Ag-Au-S,10.0,"Invalid WP multiplicities - AB2C2_mP10_7_a_2a_3a:Ag-Au-S, expected AgAu2S3 to be Ag(AuS)2" +mp-675633,Ag4AuS2,-3.29239577,-0.0242520918,0.1801808025,0.1801808025,GGA,P2/m,A4BC2_mP7_10_mn_b_ce:Ag-Au-S,7.0,"Invalid WP multiplicities - A4BC2_mP7_10_2mn_c_bd:Ag-Au-S, expected Ag6AuS2 to be Ag4AuS2" +mp-34982,Ag3AuS2,-3.5323309883,-0.1915893644,0.0415626183,0.0389825875,GGA,P1,A3BC2_aP6_1_3a_a_2a:Ag-Au-S,6.0,A3BC2_aP6_1_3a_a_2a:Ag-Au-S +mp-34460,Ag3AuS2,-3.5738936067,-0.2331519827,0.0,-0.0025800308,GGA,R-3m,A3BC2_hR18_166_d_b_c:Ag-Au-S,6.0,A3BC2_hR18_166_d_b_c:Ag-Au-S +mp-27554,Ag3AuS2,-3.5481705258,-0.2074289019,0.0257230808,0.02314305,GGA,P4_132,A3BC2_cP48_213_e_c_2c:Ag-Au-S,48.0,A3BC2_cP48_213_e_c_2c:Ag-Au-S +mp-1229183,Ag3AuSeS,-3.4564401846,-0.2224549588,0.0161206931,0.0161206931,GGA,I2_13,A3BCD_cI48_199_2b_a_a_a:Ag-Au-S-Se,24.0,"Invalid WP multiplicities - A3BCD_cI48_199_6b_a_a_a:Ag-Au-S-Se, expected Ag9AuSeS to be Ag3AuSeS" +mp-37920,AgAuS2,-3.785062525,-0.1902280907,0.0,-0.0137292479,GGA,Pccm,ABC2_oP8_49_e_b_q:Ag-Au-S,8.0,ABC2_oP8_49_e_b_q:Ag-Au-S +mp-3172,Ag3AuSe2,-3.3712281487,-0.2439993212,0.0,-0.0140485747,GGA,I4_132,A3BC2_cI48_214_f_a_e:Ag-Au-Se,24.0,A3BC2_cI48_214_f_a_e:Ag-Au-Se +mp-1229181,Ag6Au2Se3S,-3.4137278508,-0.2331208242,0.0081666624,0.0081666624,GGA,C2,A6B2CD3_mC48_5_2a2b4c_2c_c_3c:Ag-Au-S-Se,24.0,A6B2CD3_mC48_5_2a2b4c_2c_c_3c:Ag-Au-S-Se +mp-1247859,Ag5Au3S4,-3.5870373175,-0.2095185272,0.0247233594,0.0247233594,GGA,P1,A5B3C4_aP12_1_5a_3a_4a:Ag-Au-S,12.0,A5B3C4_aP12_1_5a_3a_4a:Ag-Au-S +mp-1247860,Ag5Au3S4,-3.5324262833,-0.154907493,0.0793343936,0.0793343936,GGA,P1,A5B3C4_aP12_1_5a_3a_4a:Ag-Au-S,12.0,A5B3C4_aP12_1_5a_3a_4a:Ag-Au-S +mp-21529,La3(GaNi)2,-5.1493115007,-0.5172419693,0.0,-0.0028508121,GGA,Pbcm,A2B3C2_oP28_57_cd_de_e:Ga-La-Ni,28.0,A2B3C2_oP28_57_cd_de_e:Ga-La-Ni +mp-1183983,GaNiO3,-5.381211794,-0.6515520268,1.0006185048,1.0006185048,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ga-Ni-O,5.0,ABC3_cP5_221_a_b_c:Ga-Ni-O +mp-1079217,LaGa2Ni,-4.8171216113,-0.6240376537,0.0,-0.0166118738,GGA,Cmmm,A2BC_oC16_65_acg_h_g:Ga-La-Ni,8.0,A2BC_oC16_65_acg_h_g:Ga-La-Ni +mp-573548,La3(GaNi2)2,-5.3912601256,-0.5040645611,0.0016511241,0.0016511241,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Ga-La-Ni,9.0,"Invalid WP multiplicities - A2B3C4_mC18_12_i_a2i_3i:Ga-La-Ni, expected La5(GaNi3)2 to be La3(GaNi2)2" +mp-1222941,LaGaNi4,-5.5956741133,-0.4148991388,0.0,-0.0184089767,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Ga-La-Ni,6.0,ABC4_hP6_187_a_c_ek:Ga-La-Ni +mp-1223040,LaGa3Ni,-4.505865304,-0.5457789335000001,0.0381966897,0.0381966897,GGA,I-4m2,A3BC_tI10_119_af_c_b:Ga-La-Ni,5.0,A3BC_tI10_119_af_c_b:Ga-La-Ni +mp-1223449,LaGa2Ni3,-5.2333719683,-0.5112704367,0.0,-0.0241740062,GGA,P-62m,A2BC3_hP18_189_fg_ad_gj:Ga-La-Ni,18.0,A2BC3_hP18_189_fg_ad_gj:Ga-La-Ni +mp-532446,Ga2NiO4,-6.5173095718,-1.9997262046,0.0113583804,-0.0302629018,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Ga-Ni-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Ga-Ni-O, expected Ga11(NiO6)4 to be Ga2NiO4" +mp-35236,Ga2NiO4,-6.5286679521,-2.011084585,0.0,-0.0416212821,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Ga-Ni-O,28.0,A2BC4_oI28_74_ae_c_hi:Ga-Ni-O +mp-1178203,Ga2NiO4,-6.4527217064,-1.9351383393,0.0759462457,0.0343249636,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Ga-Ni-O,28.0,A2BC4_tI28_141_c_b_h:Ga-Ni-O +mp-761314,Ga2NiO4,-6.4762902543,-1.9587068871,0.0523776979,0.0107564157,GGA+U,R3m,A2BC4_hR42_160_ab_2a_2a2b:Ga-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_hR42_160_a2b_2a_2a4b:Ga-Ni-O, expected Ga7(NiO7)2 to be Ga2NiO4" +mp-756649,Ga2NiO4,-6.299940675,-1.7823573079,0.2287272771,0.187105995,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Ga-Ni-O,14.0,A2BC4_cF56_227_c_b_e:Ga-Ni-O +mp-604613,La2Ga12Ni,-3.892363494,-0.42640995,0.000327153,0.000327153,GGA,P4/nbm,A12B2C_tP30_125_2g2m_h_c:Ga-La-Ni,30.0,"Invalid WP multiplicities - A12B2C_tP30_125_7g12m_h_c:Ga-La-Ni, expected La2Ga62Ni to be La2Ga12Ni" +mp-637926,LaGaNi,-5.0023116642,-0.420898395,0.1663814108,0.1330453067,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ga-La-Ni,12.0,ABC_mP12_14_e_e_e:Ga-La-Ni +mp-1102982,LaGaNi,-5.168693075,-0.5872798058,0.0,-0.0333361042,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ga-La-Ni,12.0,ABC_mP12_14_e_e_e:Ga-La-Ni +mp-1223634,La2(GaNi)5,-4.9662859,-0.4735210898,0.0588686754,0.0588686754,GGA,Amm2,A5B2C5_oC24_38_af_ab_bde:Ga-La-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oC24_38_af_ab_b2de:Ga-La-Ni, expected La2Ga5Ni7 to be La2(GaNi)5" +mp-1272284,La2GaNiO6,-7.5964488565,-2.7604109385,0.0436207103,0.0436207103,GGA+U,P-1,AB2CD6_aP10_2_b_i_d_3i:Ga-La-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_aP10_2_b_i_d_6i:Ga-La-Ni-O, expected La2GaNiO12 to be La2GaNiO6" +mp-1223246,La2GaNiO6,-7.593598637,-2.757560719,0.0464709298,0.0464709298,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Ga-La-Ni-O,10.0,AB2CD6_hR30_148_a_c_b_f:Ga-La-Ni-O +mp-1104497,La2Ga10Ni,-4.0257052046,-0.492388965,0.0,-0.0276831414,GGA,I4/mmm,A10B2C_tI26_139_d2eg_e_a:Ga-La-Ni,13.0,A10B2C_tI26_139_d2eg_e_a:Ga-La-Ni +mp-1191195,Eu2Hf2O7,-10.5047009473,-3.6815007074,0.0,-0.0406090906,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Eu-Hf-O,22.0,A2B2C7_cF88_227_c_d_af:Eu-Hf-O +mp-1213558,Eu2Hf2(MoO4)7,-9.0032477519,-2.4684986149,0.0,-0.0102351384,GGA+U,C2/c,A2B2C7D28_mC156_15_f_f_e3f_14f:Eu-Hf-Mo-O,78.0,A2B2C7D28_mC156_15_f_f_e3f_14f:Eu-Hf-Mo-O +mp-753781,EuHfO3,-10.737502918,-3.7266515252,0.0,-0.0584104835,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Hf-O,5.0,ABC3_cP5_221_a_b_c:Eu-Hf-O +mp-1228653,Ba2CoRuO6,-7.0931585497,-2.1030783014,0.0182334785,0.0182334785,GGA+U,P3m1,A2BC6D_hP30_156_2a2b2c_a2b_6d_a2c:Ba-Co-O-Ru,30.0,A2BC6D_hP30_156_2a2b2c_a2b_6d_a2c:Ba-Co-O-Ru +mp-19058,Ba3CoRu2O9,-7.1213943577,-2.0591112846,0.0847573642,0.0847573642,GGA+U,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Co-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Co-O-Ru +mp-1222837,Lu2Mn(GeO3)4,-7.7419210997,-2.6863267688,0.0,-0.0093037879,GGA+U,Cmme,A4B2CD12_oC76_67_o_ac_e_mn2o:Ge-Lu-Mn-O,38.0,"Invalid WP multiplicities - A4B2CD12_oC76_67_o_ac_e_2m3n9o:Ge-Lu-Mn-O, expected Lu2Mn(Ge2O23)2 to be Lu2Mn(GeO3)4" +mp-1224782,Gd3(BrO3)2,-9.1326792873,-2.3131742284,0.428716417,0.428716417,GGA,Pmn2_1,A2B3C6_oP22_31_b_ab_2a2b:Br-Gd-O,22.0,A2B3C6_oP22_31_b_ab_2a2b:Br-Gd-O +mp-1213341,Gd7(BrO6)3,-8.9430461329,-2.0776055088,0.4199215949,0.4199215949,GGA,P6_3/m,A3B7C18_hP56_176_h_c2h_6h:Br-Gd-O,56.0,A3B7C18_hP56_176_h_c2h_6h:Br-Gd-O +mp-1206663,GdBrO2,-8.4232905675,-2.0426585694,0.5004844264,0.5004844264,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Br-Gd-O,8.0,ABC2_mP8_11_e_e_2e:Br-Gd-O +mp-1193134,GdMoBrO4,-9.1998290436,-2.5910353971,0.0,-0.0029217355,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Gd-Mo-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Gd-Mo-O +mp-29797,GdBrO,-10.1993269467,-3.3407138529,0.0,-0.1178178944,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Gd-O,6.0,ABC_tP6_129_c_c_a:Br-Gd-O +mp-2227400,BaMg(FeS2)2,-5.7119126025,-1.0862754928,0.2945800912,0.2945800912,GGA,Cm,AB2CD4_mC16_8_a_b_a_4a:Ba-Fe-Mg-S,8.0,AB2CD4_mC16_8_a_b_a_4a:Ba-Fe-Mg-S +mp-2227518,BaMg(FeS2)2,-5.5585033012,-0.9328661916,0.4479893925,0.4479893925,GGA,I4/m,AB2CD4_tI16_87_a_d_b_h:Ba-Fe-Mg-S,8.0,AB2CD4_tI16_87_a_d_b_h:Ba-Fe-Mg-S +mp-2227469,BaMg(FeS2)2,-5.5533887612,-0.9277516516,0.4531039325,0.4531039325,GGA,I422,AB2CD4_tI16_97_a_c_b_j:Ba-Fe-Mg-S,8.0,AB2CD4_tI16_97_a_c_b_j:Ba-Fe-Mg-S +mp-1022387,BaMg6Fe,-2.2493859187,0.2494486375,0.3046867262,0.3046867262,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Fe-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ba-Fe-Mg +mp-1099278,BaMg6Fe,-2.2398679925,0.2589665638,0.3142046525,0.3142046525,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Fe-Mg,8.0,ABC6_oC16_38_a_b_abde:Ba-Fe-Mg +mp-1099090,BaMg14Fe,-1.8906825538,0.1588747494,0.1980471384,0.1980471384,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Fe-Mg, expected BaMg18Fe to be BaMg14Fe" +mp-1027859,BaMg14Fe,-1.8372822919,0.2122750112,0.2514474003,0.2514474003,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Fe-Mg, expected BaMg26Fe to be BaMg14Fe" +mp-2219022,MgCu4(AsS)4,-4.4420790577,-0.3513575333,0.1416016262,0.1416016262,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:As-Cu-Mg-S,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:As-Cu-Mg-S +mp-2219332,MgCu4(AsS)4,-4.4773601377,-0.3866386133,0.1063205462,0.1063205462,GGA,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:As-Cu-Mg-S,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:As-Cu-Mg-S +mp-2219734,MgCu4(AsS)4,-4.46109222,-0.3703706956,0.1225884638,0.1225884638,GGA,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:As-Cu-Mg-S,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:As-Cu-Mg-S +mp-569015,MgCuAs,-3.8069921088,-0.3541237338,0.0,-0.00346789,GGA,Pnma,ABC_oP24_62_2c_2c_2c:As-Cu-Mg,24.0,"Invalid WP multiplicities - ABC_oP24_62_4c_6c_7c:As-Cu-Mg, expected Mg7(Cu3As2)2 to be MgCuAs" +mp-4083,MgCuAs,-3.8030722717,-0.3502038967,0.0039198371,0.0004519471,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Cu-Mg,6.0,ABC_tP6_129_c_a_c:As-Cu-Mg +mp-1211065,Mg2CuAs2,-1.152789134,2.170811582,2.5936793285,2.5936793285,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Cu-Mg,5.0,A2BC2_tP5_123_g_a_g:As-Cu-Mg +mp-2217390,MgCu3AsS4,-4.3747444578,-0.4744313542,0.2188758499,0.2188758499,GGA,P-42m,AB3CD4_tP9_111_c_be_a_n:As-Cu-Mg-S,9.0,AB3CD4_tP9_111_c_be_a_n:As-Cu-Mg-S +mp-2222796,MgCu3AsS4,-4.3593474167,-0.4590343131,0.234272891,0.234272891,GGA,R3m,AB3CD4_hR27_160_a_b_a_ab:As-Cu-Mg-S,9.0,"Invalid WP multiplicities - AB3CD4_hR27_160_a_b_a_a2b:As-Cu-Mg-S, expected MgCu3AsS7 to be MgCu3AsS4" +mp-2225846,MgCu3AsS4,-4.3708746389,-0.4705615353,0.2227456688,0.2227456688,GGA,P-43m,AB3CD4_cP9_215_a_c_b_e:As-Cu-Mg-S,9.0,AB3CD4_cP9_215_a_c_b_e:As-Cu-Mg-S +mp-1216872,Tm2Mn(GeO3)4,-7.7333286429,-2.6824832695,0.0,-0.0079542027,GGA+U,Cmme,A4BC12D2_oC76_67_o_c_mn2o_ae:Ge-Mn-O-Tm,38.0,"Invalid WP multiplicities - A4BC12D2_oC76_67_o_c_3m2n9o_ae:Ge-Mn-O-Tm, expected Tm2Mn(Ge2O23)2 to be Tm2Mn(GeO3)4" +mp-1220947,NaIn10CuS16,-4.3984711346,-0.8584080227,0.0011814539,0.0011814539,GGA,P-4m2,AB10CD16_tP28_115_a_gjk_c_2j2k:Cu-In-Na-S,28.0,"Invalid WP multiplicities - AB10CD16_tP28_115_a_g4j4k_c_7j7k:Cu-In-Na-S, expected NaIn34CuS56 to be NaIn10CuS16" +mp-29375,Na3InS3,-3.9276863111,-1.1950278524,0.0,-0.0094104493,GGA,C2/c,AB3C3_mC56_15_f_2e2f_3f:In-Na-S,28.0,AB3C3_mC56_15_f_2e2f_3f:In-Na-S +mp-29376,Na5InS4,-3.8056878025,-1.214676836,0.0,-0.0087371437,GGA,P2_1/m,AB5C4_mP20_11_e_a2ef_2ef:In-Na-S,20.0,AB5C4_mP20_11_e_a2ef_2ef:In-Na-S +mp-20289,NaInS2,-4.19974601,-1.1129688207,0.0,-0.0526968812,GGA,R-3m,ABC2_hR12_166_a_b_c:In-Na-S,4.0,ABC2_hR12_166_a_b_c:In-Na-S +mp-1195769,NaIn3S5,-4.3176646536,-0.955461785,0.0029749651,0.0029749651,GGA,Pbam,A3BC5_oP36_55_adgh_g_2g3h:In-Na-S,36.0,A3BC5_oP36_55_adgh_g_2g3h:In-Na-S +mp-19415,Er(FeO2)2,-8.28109072,-2.3818741379,0.1020607075,0.1020607075,GGA+U,R-3m,AB2C4_hR21_166_a_c_2c:Er-Fe-O,7.0,AB2C4_hR21_166_a_c_2c:Er-Fe-O +mp-1206054,Er6FeSb2,-5.50200804,-0.5981928678,0.0,-0.0126785197,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Er-Fe-Sb,9.0,A6BC2_hP9_189_fg_a_d:Er-Fe-Sb +mp-1225637,Er2FeSbO7,-8.0042570664,-2.8805042438,0.0007289809,0.0007289809,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Er-Fe-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Er-Fe-O-Sb, expected Er2FeSbO13 to be Er2FeSbO7" +mp-19935,ErFeO3,-8.4404627115,-2.8649014807,0.0179546205,0.0179546205,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Er-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Er-Fe-O +mp-560103,Er3Fe5O12,-8.3244111709,-2.5537348201,0.0353709381,0.0353709381,GGA+U,Ia-3d,A3B5C12_cI160_230_c_ad_h:Er-Fe-O,80.0,"Invalid WP multiplicities - A3B5C12_cI160_230_c_6a6d_h:Er-Fe-O, expected Er(Fe5O2)2 to be Er3Fe5O12" +mp-989559,Cs2NaLiF6,-4.08296712,-2.4338544491,0.0,-0.0246211922,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Na +mp-572797,Cs2IrF6,-4.9444938778,-2.489148019,0.0,-0.2735231444,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Ir,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Ir +mp-1112014,Cs2NaIrF6,-4.884234081,-2.5421702787,0.0099657485,0.0099657485,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ir-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ir-Na +mp-1110568,Na3IrF6,-4.824906137,-2.3974177505,0.009659734,0.009659734,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ir-Na,10.0,A6BC3_cF40_225_e_a_bc:F-Ir-Na +mp-1110788,Rb2PrAgF6,-5.222022471,-3.1176821002,0.0769865465,0.0769865465,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Pr-Rb +mp-1205721,Rb3PrF6,-5.340244847,-3.4211066692,0.099104891,0.099104891,GGA,I4/mmm,A6BC3_tI20_139_ei_a_bd:F-Pr-Rb,10.0,A6BC3_tI20_139_ei_a_bd:F-Pr-Rb +mp-1205725,Rb3PrF6,-5.366829734,-3.4476915562,0.072520004,0.072520004,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Pr-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Pr-Rb +mp-1209185,RbPrF4,-6.1852195667,-3.9506602837,0.0,-0.0511918475,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-Pr-Rb,24.0,A4BC_oP24_62_4c_c_c:F-Pr-Rb +mp-740759,Yb19(Mg4H27)2,-3.3844086116,-0.6033962147,0.0,-0.0076297648,GGA,Im-3,A54B8C19_cI162_204_e2gh_f_adg:H-Mg-Yb,,A54B8C19_cI162_204_e2gh_f_adg:H-Mg-Yb +mp-23804,Mg2FeH6,-3.9638344011,-0.4052857811,0.0,-0.1937961661,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:Fe-H-Mg,9.0,AB6C2_cF36_225_a_e_c:Fe-H-Mg +mp-643071,Yb4Mg4Fe3H22,-3.9816777088,-0.5692658924,0.0,-0.0816970444,GGA,P-43m,A3B22C4D4_cP33_215_c_egh_e_e:Fe-H-Mg-Yb,,A3B22C4D4_cP33_215_c_egh_e_e:Fe-H-Mg-Yb +mp-1207586,Yb3(Mg2H7)2,-2.9591281048,-0.1725514538,0.310037856,0.310037856,GGA,P-62m,A14B4C3_hP21_189_cfgi_de_f:H-Mg-Yb,,A14B4C3_hP21_189_cfgi_de_f:H-Mg-Yb +mp-643108,Yb4Mg3H14,-3.3233349238,-0.5396474048000001,0.0056685672,0.0056685672,GGA,P-62m,A14B3C4_hP21_189_cfgi_f_de:H-Mg-Yb,,A14B3C4_hP21_189_cfgi_f_de:H-Mg-Yb +mp-18652,Sr3HoRhO6,-7.1826422141,-2.9376122716,0.0,-0.038153703,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Ho-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Ho-O-Rh-Sr +mp-1212108,HoRhO3,-7.948614022,-2.5912574472000003,0.0,-0.0251306019,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ho-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Ho-O-Rh +mp-1184833,HoRhO3,-7.347871008,-1.9905144332,0.6007430140000001,0.5756124121,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ho-O-Rh,5.0,AB3C_cP5_221_a_c_b:Ho-O-Rh +mp-1222176,Mn4NiSe5,-6.321996706,-0.3312211823,0.2486236583,0.2486236583,GGA,Immm,A4BC5_oI20_71_2e_a_c2f:Mn-Ni-Se,10.0,"Invalid WP multiplicities - A4BC5_oI20_71_3e_a_c3f:Mn-Ni-Se, expected Mn6NiSe7 to be Mn4NiSe5" +mp-1192861,U8NiSe17,-7.3820892362,-1.39970801,0.0,-0.0191972736,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Ni-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Ni-Se-U +mp-1188256,UNiSe3,-6.57128618,-1.0594299554,0.0345359651,0.0345359651,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ni-Se-U,20.0,AB3C_oP20_62_a_cd_c:Ni-Se-U +mp-1221348,MnNiSe2,-5.9574535625,-0.4739598307,0.0857528883,0.0857528883,GGA,P-3m1,ABC2_hP4_164_a_b_d:Mn-Ni-Se,4.0,ABC2_hP4_164_a_b_d:Mn-Ni-Se +mp-1217057,U2MnNiSe6,-6.926473817,-1.0764297312,0.0309576037,0.0309576037,GGA,C2/m,ABC6D2_mC20_12_a_c_3i_i:Mn-Ni-Se-U,,ABC6D2_mC20_12_a_d_3i_i:Mn-Ni-Se-U +mp-22186,In6Ge2PtO9,-5.9966194789,-1.7550922672,0.0,-0.0329619262,GGA,Fm-3m,A2B6C9D_cF72_225_c_e_af_b:Ge-In-O-Pt,18.0,A2B6C9D_cF72_225_c_e_af_b:Ge-In-O-Pt +mp-755116,In2Pt2O7,-6.2734884695,-1.5214470987,0.0,-0.1074614841,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:In-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2af_d:In-O-Pt, expected InPtO4 to be In2Pt2O7" +mp-1184773,InPtO3,-5.468581876,-0.7360052392,0.7689169634,0.7689169634,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-O-Pt,5.0,AB3C_cP5_221_a_c_b:In-O-Pt +mp-1198129,Nd3IrO7,-8.2554445005,-3.0036538226,0.0,-0.0655360358,GGA,P2_1/c,AB3C7_mP44_14_ac_3e_7e:Ir-Nd-O,44.0,AB3C7_mP44_14_ac_3e_7e:Ir-Nd-O +mp-9559,Nd3IrO7,-8.2529731636,-3.0011824858,0.0024713368,-0.063064699,GGA,Cmcm,AB3C7_oC44_63_a_bg_cgh:Ir-Nd-O,22.0,AB3C7_oC44_63_a_bg_cgh:Ir-Nd-O +mp-1190299,Nd2Ir2O7,-8.0549077459,-2.4330910001,0.0,-0.0256364716,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Ir-Nd-O,22.0,A2B2C7_cF88_227_d_c_af:Ir-Nd-O +mp-865808,LiNd2Ir,-5.47679262,-0.4058796421,0.0229990469,0.0229990469,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Nd,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Nd +mp-11905,LiNd2IrO6,-7.714457378,-2.7180789601,0.0,-0.0585902248,GGA,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Ir-Li-Nd-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_4e:Ir-Li-Nd-O, expected LiNd2IrO8 to be LiNd2IrO6" +mp-1220138,NiMo4N5,-9.44647969,-0.3619585155,0.0914802298,0.0914802298,GGA,Cm,A4B5C_mC20_8_4a_5a_a:Mo-N-Ni,10.0,A4B5C_mC20_8_4a_5a_a:Mo-N-Ni +mp-1225439,FeNi3(Mo3N)2,-9.2436215137,-0.2805113671,0.0088712059,0.0088712059,GGA,P2_1,AB6C2D3_mP24_4_a_6a_2a_3a:Fe-Mo-N-Ni,24.0,"Invalid WP multiplicities - AB6C2D3_mP24_4_a_9a_2a_5a:Fe-Mo-N-Ni, expected FeNi5Mo9N2 to be FeNi3(Mo3N)2" +mp-1246451,Fe2Ni9N8,-6.9921341,0.1475096863,0.2513867166,0.2513867166,GGA,C2/m,A2B8C9_mC38_12_i_4i_a4i:Fe-N-Ni,19.0,A2B8C9_mC38_12_i_4i_a4i:Fe-N-Ni +mp-1225027,Fe3Ni(Mo3N)2,-9.641543225,-0.23011899,0.0032040655,0.0032040655,GGA,P2_1,A3B6C2D_mP24_4_3a_6a_2a_a:Fe-Mo-N-Ni,24.0,"Invalid WP multiplicities - A3B6C2D_mP24_4_5a_9a_2a_a:Fe-Mo-N-Ni, expected Fe5NiMo9N2 to be Fe3Ni(Mo3N)2" +mp-644742,Ni2Mo4N,-9.2785239875,-0.2386141696,0.0334535432,0.0334535432,GGA,Fd-3m,A4BC2_cF112_227_cf_d_e:Mo-N-Ni,28.0,"Invalid WP multiplicities - A4BC2_cF112_227_3c3f_d_e:Mo-N-Ni, expected Ni2Mo12N to be Ni2Mo4N" +mp-1247015,Fe2NiN2,-7.880268635,-0.001634845,0.250074625,0.250074625,GGA,Pmmn,A2B2C_oP10_59_e_e_a:Fe-N-Ni,10.0,A2B2C_oP10_59_e_e_a:Fe-N-Ni +mp-1246537,Fe2NiN2,-7.961840686,-0.083206896,0.168502574,0.168502574,GGA,R-3m,A2B2C_hR15_166_c_c_a:Fe-N-Ni,5.0,A2B2C_hR15_166_c_c_a:Fe-N-Ni +mp-4091,Ni2Mo3N,-9.0563654342,-0.3174123317,0.0,-0.0601637179,GGA,P4_132,A3BC2_cP24_213_d_a_c:Mo-N-Ni,24.0,A3BC2_cP24_213_d_a_c:Mo-N-Ni +mp-1181478,Ni2Mo3N,-8.7855308087,-0.0465777063,0.2708346254,0.2106709075,GGA,P4_132,A3BC2_cP24_213_d_a_c:Mo-N-Ni,24.0,A3BC2_cP24_213_d_a_c:Mo-N-Ni +mp-631256,FeNiMo,-7.8059239767,0.5593453567000001,0.6041609267,0.6041609267,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Mo-Ni,3.0,ABC_cF12_216_c_a_b:Fe-Mo-Ni +mp-1246672,FeNi5N4,-7.01723808,0.054430351,0.1570863977,0.1570863977,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Fe-N-Ni,20.0,AB4C5_oP20_59_a_ef_bg:Fe-N-Ni +mp-567703,Fe3NiN,-8.032090492,-0.126751445,0.0263551795,0.0263551795,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Fe-N-Ni,5.0,A3BC_cP5_221_c_b_a:Fe-N-Ni +mp-510381,Fe3NiN,-6.121132214,1.784206833,1.9373134575,1.9373134575,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Fe-N-Ni,5.0,A3BC_cP5_221_c_a_b:Fe-N-Ni +mp-1245751,Fe10NiN8,-8.2592309863,0.01299576,0.2851246467,0.2851246467,GGA,C2/m,A10B8C_mC38_12_5i_4i_a:Fe-N-Ni,19.0,A10B8C_mC38_12_5i_4i_a:Fe-N-Ni +mp-581805,Ni3Mo3N,-8.5507390693,-0.2344740271,0.0380302673,0.0380302673,GGA,Fd-3m,A3BC3_cF112_227_f_c_de:Mo-N-Ni,28.0,"Invalid WP multiplicities - A3BC3_cF112_227_f_c_3d3e:Mo-N-Ni, expected Ni9Mo3N to be Ni3Mo3N" +mp-629397,FeNiN,-7.6340841533,-0.1051998817,0.10455801,0.10455801,GGA,P4/mmm,ABC_tP3_123_c_a_b:Fe-N-Ni,3.0,ABC_tP3_123_c_a_b:Fe-N-Ni +mp-1246271,NiMoN3,-8.229354305,0.097700008,0.3363379844,0.3363379844,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-Ni,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-Ni +mp-1247266,Fe5NiN4,-8.1661310055,-0.0185087625,0.2466453785,0.2466453785,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Fe-N-Ni,20.0,A5B4C_oP20_59_ag_ef_b:Fe-N-Ni +mp-1245580,Fe(NiN)3,-7.1599756964,0.1000123071,0.2239616999999999,0.2239616999999999,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Fe-N-Ni,14.0,AB3C3_hP14_194_c_h_h:Fe-N-Ni +mp-1246184,Fe2Ni3N4,-7.4089897572,0.1050582606,0.2713826411,0.2713826411,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Fe-N-Ni,18.0,A2B4C3_mC36_15_f_2f_ef:Fe-N-Ni +mp-1225097,FeNiMo3N,-9.43789308,-0.2506258892,0.0107269251,0.0107269251,GGA,P2_13,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Ni,24.0,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Ni +mp-1225050,Er2BPt6,-6.7558901267,-0.9512646477,0.0,-0.0246542988,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:B-Er-Pt,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:B-Er-Pt, expected Er2BPt10 to be Er2BPt6" +mp-1225493,ErBPtRh2,-7.283845836,-0.8744739078,0.0,-0.0369633919,GGA,P4/mmm,ABCD2_tP5_123_b_c_a_e:B-Er-Pt-Rh,5.0,ABCD2_tP5_123_b_c_a_e:B-Er-Pt-Rh +mp-1223395,La5Dy3(CuO4)4,-7.8149053639,-3.027611003,0.0494917049,0.0494917049,GGA,P4mm,A4B3C5D16_tP28_99_2a2b_2ab_2a3b_2a2b6c:Cu-Dy-La-O,28.0,"Invalid WP multiplicities - A4B3C5D16_tP28_99_2a2b_2ab_2a3b_2a2b12c:Cu-Dy-La-O, expected La5Dy3(CuO7)4 to be La5Dy3(CuO4)4" +mp-756272,LaDyO3,-8.779369334,-3.9027973183,0.0398782336,0.0398782336,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:Dy-La-O,20.0,"Invalid WP multiplicities - ABC3_oP20_33_a_a_9a:Dy-La-O, expected LaDyO9 to be LaDyO3" +mp-1211844,Li2TlF2,-4.0044756645,-2.0037863015,0.5289693768,0.5289693768,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:F-Li-Tl,,A2B2C_tI40_141_h_h_c:F-Li-Tl +mp-1110576,Li3TlF6,-4.426052501,-2.4702239458,0.2694392183,0.2694392183,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Tl,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Tl +mp-1110629,Na2LiTlF6,-4.4296244,-2.5910753595,0.0576153873,0.0576153873,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Tl +mp-560342,Ag4GeO4,-4.8694096606,-0.8982978035,0.0121089931,0.0121089931,GGA,P-1,A4BC4_aP36_2_8i_2i_8i:Ag-Ge-O,36.0,"Invalid WP multiplicities - A4BC4_aP36_2_16i_3i_15i:Ag-Ge-O, expected Ag16(GeO5)3 to be Ag4GeO4" +mp-1229274,Ce8Ag6Ge8O,-5.4092725385,-0.7835785902,0.1644435589,0.1644435589,GGA,Pmc2_1,A6B8C8D_oP46_26_3a3b_4a4b_4a4b_a:Ag-Ce-Ge-O,46.0,A6B8C8D_oP46_26_3a3b_4a4b_4a4b_a:Ag-Ce-Ge-O +mp-1213932,CeGeO2,-7.3381876306,-2.2258140225,0.7211694506,0.7211694506,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ce-Ge-O,16.0,ABC2_tI32_141_c_d_h:Ce-Ge-O +mp-679950,Ag8Ge3O10,-5.1513682681,-1.0563007108,0.0219425785,0.0219425785,GGA,Pc,A8B3C10_mP168_7_32a_12a_40a:Ag-Ge-O,168.0,"Invalid WP multiplicities - A8B3C10_mP168_7_63a_22a_80a:Ag-Ge-O, expected Ag63(Ge11O40)2 to be Ag8Ge3O10" +mp-697672,Ce2(GeO3)3,-7.7653707118,-2.7471235492,0.0500390049,0.0500390049,GGA,P-1,A2B3C9_aP28_2_2i_3i_9i:Ce-Ge-O,28.0,A2B3C9_aP28_2_2i_3i_9i:Ce-Ge-O +mp-5563,Ag5GeO4,-4.6784100723,-0.8211538006,0.0,-0.0017876837,GGA,P2_1/c,A5BC4_mP40_14_5e_e_4e:Ag-Ge-O,40.0,"Invalid WP multiplicities - A5BC4_mP40_14_5e_e_7e:Ag-Ge-O, expected Ag5GeO7 to be Ag5GeO4" +mp-15487,Ag6Ge2O7,-5.0797759305,-1.0218950832,0.0059972582,0.0059972582,GGA,P2_1,A6B2C7_mP60_4_12a_4a_14a:Ag-Ge-O,60.0,"Invalid WP multiplicities - A6B2C7_mP60_4_12a_5a_15a:Ag-Ge-O, expected Ag12(GeO3)5 to be Ag6Ge2O7" +mp-779706,AgGeO3,-5.7934255285,-1.3342955301,0.0907621188,0.0907621188,GGA,P2_12_12,ABC3_oP20_18_ab_c_3c:Ag-Ge-O,20.0,"Invalid WP multiplicities - ABC3_oP20_55_2ac_h_2g7h:Ag-Ge-O, expected Ag3(GeO9)2 to be AgGeO3" +mp-779664,AgGeO3,-5.797829883,-1.3386998846,0.0863577643,0.0863577643,GGA,Pmc2_1,ABC3_oP10_26_a_b_a2b:Ag-Ge-O,10.0,"Invalid WP multiplicities - ABC3_oP10_51_a_f_e2j:Ag-Ge-O, expected AgGeO5 to be AgGeO3" +mp-759939,AgGeO3,-5.771882732,-1.3127527336,0.1123049153,0.1123049153,GGA,Pmma,ABC3_oP10_51_e_b_fi:Ag-Ge-O,10.0,"Invalid WP multiplicities - ABC3_oP10_51_e_b_f2i:Ag-Ge-O, expected AgGeO5 to be AgGeO3" +mp-891854,AgGeO3,-5.797279927,-1.3381499286,0.0869077203,0.0869077203,GGA,Pmma,ABC3_oP10_51_a_f_ej:Ag-Ge-O,10.0,"Invalid WP multiplicities - ABC3_oP10_51_a_f_e2j:Ag-Ge-O, expected AgGeO5 to be AgGeO3" +mp-891880,AgGeO3,-5.7996114604,-1.340481462,0.084576187,0.084576187,GGA,Pbam,ABC3_oP80_55_abcdef_2i_gh5i:Ag-Ge-O,80.0,"Invalid WP multiplicities - ABC3_oP80_55_2a2b2c2d4e4f_5i_4g4h17i:Ag-Ge-O, expected Ag6Ge5O21 to be AgGeO3" +mp-983589,Ag2GeO3,-5.3921549912,-1.2041206587,0.0,-0.003670591,GGA,P2_12_12_1,A2BC3_oP24_19_2a_a_3a:Ag-Ge-O,24.0,A2BC3_oP24_19_2a_a_3a:Ag-Ge-O +mp-755127,Ag2GeO4,-5.3711676436,-1.074754114,0.0705049288,0.0705049288,GGA,Fddd,A2BC4_oF56_70_e_a_h:Ag-Ge-O,14.0,A2BC4_oF56_70_e_a_h:Ag-Ge-O +mp-554988,Ag2Ge2O5,-5.8934013159,-1.4884445078,0.0069429523,0.0069429523,GGA,P2_1/c,A2B2C5_mP108_14_6e_6e_15e:Ag-Ge-O,108.0,"Invalid WP multiplicities - A2B2C5_mP108_14_21e_19e_56e:Ag-Ge-O, expected Ag21Ge19O56 to be Ag2Ge2O5" +mp-10302,Ba2ScIrO6,-7.650032335,-2.7811337917000003,0.0,-0.1258068441,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Sc,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Sc +mp-631492,BaScIr,-4.7951947967,0.9014312783,1.60707524,1.60707524,GGA,F-43m,ABC_cF12_216_c_a_b:Ba-Ir-Sc,3.0,ABC_cF12_216_c_a_b:Ba-Ir-Sc +mp-754684,Ba4IrO6,-6.6840096368,-2.4845127089,0.0,-0.0092400159,GGA,R-3c,A4BC6_hR66_167_ae_b_f:Ba-Ir-O,22.0,"Invalid WP multiplicities - A4BC6_hR66_167_a2e_b_f:Ba-Ir-O, expected Ba7IrO6 to be Ba4IrO6" +mp-28867,Ba7Ir6O19,-7.0961035922,-2.082024993,0.0071537295,0.0071537295,GGA,C2/m,A7B6C19_mC64_12_a3i_3i_b3i3j:Ba-Ir-O,32.0,"Invalid WP multiplicities - A7B6C19_mC64_12_a3i_3i_b3i4j:Ba-Ir-O, expected Ba7Ir6O23 to be Ba7Ir6O19" +mp-17102,Ba4Ir3O10,-7.0678603888,-2.1467963057,0.0,-0.0188125078,GGA,P2_1/c,A4B3C10_mP34_14_2e_ae_5e:Ba-Ir-O,34.0,"Invalid WP multiplicities - A4B3C10_mP34_14_2e_ae_6e:Ba-Ir-O, expected Ba4(IrO4)3 to be Ba4Ir3O10" +mp-17689,Ba4Ir3O10,-7.0640001662,-2.1429360831,0.0038602226,-0.0149522852,GGA,Cmce,A4B3C10_oC68_64_2f_af_e2fg:Ba-Ir-O,34.0,"Invalid WP multiplicities - A4B3C10_oC68_64_2f_af_e2f2g:Ba-Ir-O, expected Ba4Ir3O14 to be Ba4Ir3O10" +mp-510508,Ba2(IrO3)3,-7.2203783443,-1.8722747142,0.0,-0.0539571478,GGA,I23,A2B3C9_cI56_197_c_e_df:Ba-Ir-O,28.0,A2B3C9_cI56_197_c_e_df:Ba-Ir-O +mp-542897,BaIrO3,-7.1271177263,-2.0076226756,0.0162561193,0.0162561193,GGA,C2/m,ABC3_mC60_12_3i_ad2i_3i3j:Ba-Ir-O,30.0,ABC3_mC60_12_3i_ad2i_3i3j:Ba-Ir-O +mp-4307,BaIrO3,-7.096196429,-1.9767013783,0.0471774166,0.0471774166,GGA,C2/c,ABC3_mC60_15_ef_af_e4f:Ba-Ir-O,30.0,ABC3_mC60_15_ef_cf_e4f:Ba-Ir-O +mp-5660,BaIrO3,-7.000139584,-1.8806445333,0.1432342616,0.1432342616,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Ir-O,5.0,ABC3_cP5_221_a_b_c:Ba-Ir-O +mp-755117,Ba2IrO4,-6.8975880771,-2.259996805,0.019473802,0.019473802,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Ba-Ir-O,7.0,"Invalid WP multiplicities - A2BC4_tI14_139_e_a_2ce:Ba-Ir-O, expected Ba2IrO6 to be Ba2IrO4" +mp-674187,Ba(IrO3)2,-7.18469238,-1.7095839836,0.0,-0.0348921419,GGA,R3,AB2C6_hR81_146_b_2b_6b:Ba-Ir-O,27.0,"Invalid WP multiplicities - AB2C6_hR81_146_b_2b_13b:Ba-Ir-O, expected BaIr2O13 to be Ba(IrO3)2" +mp-1188354,Ta3VSe6,-7.669592908,-1.1063221254,0.0,-0.0674290576,GGA,P6_322,A6B3C_hP20_182_i_af_c:Se-Ta-V,20.0,A6B3C_hP20_182_i_af_c:Se-Ta-V +mp-1217827,TaVCu,-8.2716317667,0.07533169,0.1274708233,0.1274708233,GGA,Imma,ABC_oI12_74_a_e_c:Cu-Ta-V,6.0,ABC_oI12_74_a_e_c:Cu-Ta-V +mp-1217842,TaV(Cu3Se4)2,-5.3299892994,-0.735975828,0.0010827925,0.0010827925,GGA,P-4m2,A6B8CD_tP16_115_cdh_jk_a_b:Cu-Se-Ta-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_115_cdh_3j4k_a_b:Cu-Se-Ta-V, expected TaV(Cu3Se14)2 to be TaV(Cu3Se4)2" +mp-1218034,Ta2V3Cu,-9.2051642808,-0.0274175908,0.0507911092,0.0507911092,GGA,P6_3/mmc,AB2C3_hP12_194_a_f_h:Cu-Ta-V,12.0,AB2C3_hP12_194_a_f_h:Cu-Ta-V +mp-10061,ErBPd3,-5.993693838,-0.6363426358000001,0.114762246,0.114762246,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Er-Pd,5.0,ABC3_cP5_221_b_a_c:B-Er-Pd +mp-1225489,ErBPd2Rh,-6.517038366,-0.7228019518000001,0.0706293202,0.0706293202,GGA,P4/mmm,ABC2D_tP5_123_b_c_e_a:B-Er-Pd-Rh,5.0,ABC2D_tP5_123_b_c_e_a:B-Er-Pd-Rh +mp-1225046,Er2BPd6,-6.0358516211,-0.8253938155,0.0,-0.0016113111,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:B-Er-Pd,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:B-Er-Pd, expected Er2BPd10 to be Er2BPd6" +mp-983581,Er2PdRh,-6.3498746825,-0.9299678575,0.0089803925,0.0089803925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Pd-Rh,4.0,A2BC_cF16_225_c_a_b:Er-Pd-Rh +mp-1106304,TmNiO3,-7.548522843,-2.5293151956,0.0062587996,0.0062587996,GGA+U,P2_1/c,AB3C_mP20_14_ad_3e_e:Ni-O-Tm,20.0,AB3C_mP20_14_ab_3e_e:Ni-O-Tm +mp-19002,TmNiO3,-7.54801587,-2.5288082226,0.0067657726,0.0067657726,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Tm,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Tm +mp-1214595,Ba5Tm8Ni4O21,-7.7039235303,-3.1670138528,0.0,-0.0065620684,GGA+U,I4/m,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Ni-O-Tm,38.0,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Ni-O-Tm +mp-510134,BaTm2NiO5,-7.7773753942,-3.1791280583,0.0042382264,0.0042382264,GGA+U,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Ni-O-Tm,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Ni-O-Tm +mp-18756,BaTm2NiO5,-7.7592109289,-3.160963593,0.0224026917,0.0224026917,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Tm,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Tm +mp-1198706,CsNd(SeO6)2,-5.4205639923,-0.9195866614,0.4778509468,0.4778509468,GGA,P2_1/c,ABC12D2_mP64_14_e_e_12e_2e:Cs-Nd-O-Se,64.0,ABC12D2_mP64_14_e_e_12e_2e:Cs-Nd-O-Se +mp-553308,CsNdO2,-6.7395748612,-2.8503430545,0.0,-0.0405035653,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Nd-O,8.0,ABC2_hP8_194_c_a_f:Cs-Nd-O +mp-1183922,CsNdO3,-6.251415182,-2.1506919943,0.2809014707,0.2809014707,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Nd-O,5.0,ABC3_cP5_221_a_b_c:Cs-Nd-O +mp-754567,NaCdO2,-4.3425807575,-1.3078826385,0.0289563583,0.0289563583,GGA,R-3m,ABC2_hR12_166_a_b_c:Cd-Na-O,4.0,ABC2_hR12_166_a_b_c:Cd-Na-O +mp-729608,Na2CdO2,-1.484583613,1.2076799409,2.6631976587,2.6570342828,GGA,P1,AB2C2_aP40_1_8a_16a_16a:Cd-Na-O,40.0,AB2C2_aP40_1_8a_16a_16a:Cd-Na-O +mp-758413,Na2CdO2,-4.1477812718,-1.4555177179,0.0,-0.0061633759,GGA,C2,AB2C2_mC80_5_4c_8c_2a2b6c:Cd-Na-O,40.0,"Invalid WP multiplicities - AB2C2_mC80_5_7c_16c_2a2b11c:Cd-Na-O, expected Na16Cd7O13 to be Na2CdO2" +mp-27559,Na14Cd2O9,-4.064742004,-1.4694887228,0.0,-0.0239057713,GGA,P-3,A2B14C9_hP25_147_d_c2g_adg:Cd-Na-O,25.0,"Invalid WP multiplicities - A2B14C9_hP25_147_d_c6g_adg:Cd-Na-O, expected Na38Cd2O9 to be Na14Cd2O9" +mp-761024,Na2Cd2O3,-4.1965292471,-1.4349726413,0.0,-0.005217783,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Cd-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Cd-Na-O +mp-727792,NaCd2(GeO3)3,-5.9557737377,-1.851934619,0.0527111165,0.0527111165,GGA,P-1,A2B3CD9_aP30_2_2i_3i_i_9i:Cd-Ge-Na-O,30.0,A2B3CD9_aP30_2_2i_3i_i_9i:Cd-Ge-Na-O +mp-976293,NaCdO3,-4.037286258,-0.6201900206000001,0.474396422,0.474396422,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-Na-O,5.0,ABC3_cP5_221_b_a_c:Cd-Na-O +mp-728783,NaCd4(GeO3)5,-5.9516686858,-1.8584865147,0.0332718549,0.0332718549,GGA,P-1,A4B5CD15_aP50_2_4i_5i_i_15i:Cd-Ge-Na-O,50.0,A4B5CD15_aP50_2_4i_5i_i_15i:Cd-Ge-Na-O +mp-754782,Na2CdO3,-4.33130009,-1.2632990099,0.0640370828,0.0640370828,GGA,C2/m,AB2C3_mC24_12_g_adh_ij:Cd-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_adh_2i2j:Cd-Na-O, expected Na2CdO6 to be Na2CdO3" +mp-29090,Rb4Au6S5,-3.7677099,-0.8178647250000001,0.0,-0.027596265,GGA,P-62c,A6B4C5_hP30_190_i_ah_fh:Au-Rb-S,30.0,"Invalid WP multiplicities - A6B4C5_hP30_190_i_a2h_f2h:Au-Rb-S, expected Rb7(Au3S4)2 to be Rb4Au6S5" +mp-558536,RbCdAuS2,-3.5876605550000003,-0.8976194418000001,0.012664134,0.012664134,GGA,Pcca,ABCD2_oP20_54_d_e_c_f:Au-Cd-Rb-S,20.0,ABCD2_oP20_54_d_e_c_f:Au-Cd-Rb-S +mp-18556,Rb2Cd3S4,-3.4265961078,-1.0626475642,0.0,-0.0863987572,GGA,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Cd-Rb-S,36.0,A3B2C4_oP36_62_cd_ac_2cd:Cd-Rb-S +mp-9010,RbAuS,-3.7248680367,-0.9279127235,0.0,-0.0528476672,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-Rb-S,6.0,ABC_oC12_63_a_c_c:Au-Rb-S +mp-1016926,ZnIrO3,-5.698363244,-0.7107144592,0.7629442670000001,0.7629442670000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ir-O-Zn,5.0,AB3C_cP5_221_b_c_a:Ir-O-Zn +mp-1370320,Zn2CoIrO6,-6.139494251,-1.3248571047,0.1144487696,0.1144487696,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Co-Ir-O-Zn,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_10e_e:Co-Ir-O-Zn, expected Zn2CoIrO20 to be Zn2CoIrO6" +mp-1094005,Zn(IrO2)2,-6.5949056479,-1.0629961029,0.2599903525,0.2599903525,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ir-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Ir-O-Zn +mp-1195913,Ga4Bi2O9,-6.3624824512,-2.0749117344,0.0,-0.0022122305,GGA,Pnma,A2B4C9_oP60_62_d_2cd_3c3d:Bi-Ga-O,60.0,A2B4C9_oP60_62_d_2cd_3c3d:Bi-Ga-O +mp-558285,GaBiO3,-6.3158994905,-1.9741692332,0.0,-0.0024082666,GGA,Pcca,ABC3_oP20_54_d_e_cf:Bi-Ga-O,20.0,"Invalid WP multiplicities - ABC3_oP20_54_d_e_3c3f:Bi-Ga-O, expected GaBiO9 to be GaBiO3" +mp-755568,GaBiO3,-6.266792588,-1.9250623307,0.0491069025,0.0466986359,GGA,R3c,ABC3_hR30_161_a_a_b:Bi-Ga-O,10.0,ABC3_hR30_161_a_a_b:Bi-Ga-O +mp-22979,GaBiO3,-6.090197468,-1.7484672108,0.2257020225,0.2232937559,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Ga-O,5.0,ABC3_cP5_221_a_b_c:Bi-Ga-O +mp-1217939,TaGaBi2O7,-7.5097603591,-2.3103355508,0.0755454607,0.0755454607,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Bi-Ga-O-Ta,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Bi-Ga-O-Ta, expected TaGaBi2O13 to be TaGaBi2O7" +mp-28632,Ga(Bi3O5)4,-6.1536474567,-1.667352311,0.0298278247,0.0298278247,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Ga-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_2c2f:Bi-Ga-O, expected Ga(Bi3O8)4 to be Ga(Bi3O5)4" +mp-849761,GaBi25O39,-6.1568062795,-1.6650957563,0.0212021816,0.0212021816,GGA,P1,A25BC39_aP65_1_25a_a_39a:Bi-Ga-O,65.0,A25BC39_aP65_1_25a_a_39a:Bi-Ga-O +mp-753378,TaGaO4,-8.6381437808,-2.8593723646,0.0326414208,0.0326414208,GGA,Pnc2,AB4C_oP12_30_a_2c_b:Ga-O-Ta,12.0,"Invalid WP multiplicities - AB4C_oP12_30_a_6c_b:Ga-O-Ta, expected TaGaO12 to be TaGaO4" +mp-33508,TaGaO4,-8.6340026958,-2.8552312796,0.0367825058,0.0367825058,GGA,Pna2_1,AB4C_oP24_33_a_4a_a:Ga-O-Ta,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_15a_a:Ga-O-Ta, expected TaGaO15 to be TaGaO4" +mp-1211902,LaGa4Fe9C,-7.0575780123,-0.2237615072,0.0,-0.0108758842,GGA,I4/mcm,AB9C4D_tI60_140_c_dkl_l_a:C-Fe-Ga-La,30.0,AB9C4D_tI60_140_c_dkl_l_a:C-Fe-Ga-La +mp-1223611,LaGa3Fe10C,-7.3631240297,-0.166512512,0.0157263539,0.0157263539,GGA,Fmm2,AB10C3D_oF120_42_b_2a2c3d2e_2cd_b:C-Fe-Ga-La,30.0,"Invalid WP multiplicities - AB10C3D_oF120_42_b_2a2c3d3e_2cd_b:C-Fe-Ga-La, expected LaGa3Fe12C to be LaGa3Fe10C" +mp-1198475,La(Ga4Fe)2,-4.5394734952,-0.3484900675,0.0166663434,0.0166663434,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-La,44.0,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-La +mp-571428,MgNi3B2,-5.7662014294,-0.3829558242,0.0,-0.1220591896,GGA,P6_422,A2BC3_hP18_181_i_a_df:B-Mg-Ni,18.0,"Invalid WP multiplicities - A2BC3_hP18_181_i_a_3d3f:B-Mg-Ni, expected MgNi9B2 to be MgNi3B2" +mp-1028354,Mg14NiB,-2.0422075781,0.1367579938,0.2058231151,0.2058231151,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Ni, expected Mg18NiB to be Mg14NiB" +mp-1028348,Mg14NiB,-1.9877163988,0.1912491732,0.2603142945,0.2603142945,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Ni, expected Mg26NiB to be Mg14NiB" +mp-10117,Mg3(Ni10B3)2,-5.8442028103,-0.3104123147,0.0,-0.0373122142,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Mg-Ni,29.0,"Invalid WP multiplicities - A6B3C20_cF116_225_e_ac_3f3h:B-Mg-Ni, expected Mg(Ni10B)2 to be Mg3(Ni10B3)2" +mp-1188248,Mg2NiB2Ir5,-7.0352477645,-0.3820826423,0.0,-0.0388762612,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Ni,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Ni +mp-1021796,Mg6NiB,-2.4250510306,0.3326000632,0.4504375174,0.4504375174,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Ni, expected Mg12NiB to be Mg6NiB" +mp-1099294,Mg6NiB,-2.6467245062,0.1109265876,0.2287640418,0.2287640418,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Ni +mp-1206415,MgNi3B,-5.395825264,-0.2718088918,0.0432989272,0.0432989272,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Mg-Ni,5.0,ABC3_cP5_221_b_a_c:B-Mg-Ni +mp-1185769,Mg2NiIr,-4.71722997,-0.26244723,0.0473536657,0.0473536657,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Mg-Ni,4.0,AB2C_cF16_225_a_c_b:Ir-Mg-Ni +mp-1226044,Co4CuNiS8,-5.8245759071,-0.7242749454,0.0058788493,0.0058788493,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Co-Cu-Ni-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Co-Cu-Ni-S +mp-1225702,CuNi3S8,-5.0875058842,-0.5432379137000001,0.0090494725,0.0090494725,GGA,R-3,AB3C8_hR36_148_a_e_cf:Cu-Ni-S,12.0,"Invalid WP multiplicities - AB3C8_hR36_148_a_e_2c2f:Cu-Ni-S, expected CuNi3S16 to be CuNi3S8" +mp-1226056,Co5CuS8,-5.9069063914,-0.71173535,0.0046742379,0.0046742379,GGA,F-43m,A5BC8_cF56_216_ae_c_2e:Co-Cu-S,14.0,A5BC8_cF56_216_ae_c_2e:Co-Cu-S +mp-3925,Co2CuS4,-5.6873127336,-0.7070782011000001,0.0,-0.0488380683,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Cu-S,14.0,A2BC4_cF56_227_c_b_e:Co-Cu-S +mp-1226070,CoCuS4,-5.1892704808,-0.5637164921,0.0,-0.00107945,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Cu-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Cu-S, expected CoCuS8 to be CoCuS4" +mp-1226116,CoCuNiS4,-5.4516847593,-0.6611903861,0.0,-0.0146547823,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Cu-Ni-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h2i:Co-Cu-Ni-S, expected CoCuNiS8 to be CoCuNiS4" +mp-1101077,Ho2CuGe6,-4.9598249278,-0.4040258678,0.0448645415,0.0448645415,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Ho,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Ho +mp-555509,Ho3CuGeS7,-6.0006143779,-1.7152301943,0.0,-0.0078853425,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-Ho-S,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_2b8c:Cu-Ge-Ho-S, expected Ho3CuGeS26 to be Ho3CuGeS7" +mp-1224245,Ho2CuGe4,-5.1005156171,-0.5639247843,0.0132200276,0.0132200276,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Ho,,AB4C2_oC14_38_a_2a2b_ab:Cu-Ge-Ho +mp-4539,Ho(CuGe)2,-4.892554898,-0.487179314,0.0,-0.0262701031,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Ho,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Ho +mp-9389,HoCuGe,-5.1209899217,-0.68610879,0.0,-0.0613651529,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Ge-Ho,6.0,ABC_hP6_186_b_b_a:Cu-Ge-Ho +mp-1223742,HoCuGe,-5.0716824833,-0.6368013517000001,0.0493074383,-0.0120577146,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Ho,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Ho +mp-1072037,HoCuGe,-5.1139860133,-0.6791048817,0.0070039083,-0.0543612446,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ge-Ho,6.0,ABC_hP6_194_c_d_a:Cu-Ge-Ho +mp-3683,Ho3(CuGe)4,-5.0485985736,-0.6271290545,0.0,-0.0314427536,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Ho,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_2eg_bf:Cu-Ge-Ho, expected Ho3(Cu2Ge3)2 to be Ho3(CuGe)4" +mp-1228825,CsFeCuS2,-5.135801182,-0.7882951848,0.0522052052,0.0522052052,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Cs-Cu-Fe-S,5.0,ABCD2_tI10_119_c_a_b_f:Cs-Cu-Fe-S +mp-1193064,CsDySiS4,-5.6506328329,-1.7258747315,0.0,-0.0661043646,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Dy-S-Si,28.0,ABC4D_oP28_19_a_a_4a_a:Cs-Dy-S-Si +mp-1103520,Cs2SiS3,-4.6629539533,-1.3920418909,0.0,-0.3230370925,GGA,C2/m,A2B3C_mC24_12_2i_g2i_i:Cs-S-Si,12.0,A2B3C_mC24_12_2i_g2i_i:Cs-S-Si +mp-10771,Dy4(SiS4)3,-6.1633621518,-1.7243884754,0.0020843653,0.0020843653,GGA,P2_1/c,A4B12C3_mP76_14_4e_12e_3e:Dy-S-Si,76.0,A4B12C3_mP76_14_4e_12e_3e:Dy-S-Si +mp-1225718,Dy12Si5S28,-6.3023023233,-1.8972216899,0.0199624512,0.0199624512,GGA,P1,A12B28C5_aP45_1_12a_28a_5a:Dy-S-Si,45.0,A12B28C5_aP45_1_12a_28a_5a:Dy-S-Si +mp-9086,CsDyS2,-5.5132275025,-2.069455266,0.0014775113,-0.1656140412,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Dy-S,4.0,ABC2_hR12_166_a_b_c:Cs-Dy-S +mp-984555,CsDyS2,-5.5147050138,-2.0709327773,0.0,-0.1670915525,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Dy-S,8.0,ABC2_hP8_194_c_a_f:Cs-Dy-S +mp-555718,SrNiF6,-4.9808388575,-2.6135258652,0.0,-0.1102103241,GGA+U,R-3m,A6BC_hR24_166_h_a_b:F-Ni-Sr,8.0,A6BC_hR24_166_h_a_b:F-Ni-Sr +mp-559663,SrLiNiF6,-5.3084022144,-2.9920214583,0.0,-0.0259604394,GGA+U,P-31c,A6BCD_hP18_163_i_c_d_b:F-Li-Ni-Sr,18.0,A6BCD_hP18_163_i_c_d_b:F-Li-Ni-Sr +mp-1208631,SrNiF4,-5.7720163333,-3.2527586661,0.0231955417,0.0231955417,GGA+U,Cmc2_1,A4BC_oC24_36_4a_a_a:F-Ni-Sr,12.0,A4BC_oC24_36_4a_a_a:F-Ni-Sr +mp-2356674,Li2NbF6,-6.0607056911,-3.2398140713,0.0233249561,0.0233249561,GGA,C2/m,A6B2C_mC18_12_ij_h_a:F-Li-Nb,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_2i2j_h_a:F-Li-Nb, expected Li2NbF12 to be Li2NbF6" +mp-9752,Li2NbF6,-6.0547630256,-3.2338714057,0.0292676217,0.0292676217,GGA,P-31m,A6B2C_hP9_162_k_c_b:F-Li-Nb,9.0,A6B2C_hP9_162_k_c_b:F-Li-Nb +mp-11980,CsNbF6,-6.240798185,-3.4326005329,0.0,-0.2039272038,GGA,R-3,AB6C_hR24_148_a_f_b:Cs-F-Nb,8.0,AB6C_hR24_148_a_f_b:Cs-F-Nb +mp-1211885,Li3NbF6,-5.540231198,-2.8105364535,0.3462696791,0.3462696791,GGA,P-1,A6B3C_aP10_2_3i_bce_a:F-Li-Nb,10.0,A6B3C_aP10_2_3i_bce_a:F-Li-Nb +mp-1110578,Li3NbF6,-5.519842542,-2.7901477975,0.3666583351,0.3666583351,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Nb,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Nb +mp-1078799,LiNbF6,-6.33094286,-3.396055146,0.0,-0.0865416762,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Nb,8.0,A6BC_hR24_148_f_a_b:F-Li-Nb +mp-8995,Cs2NbF6,-5.8438990456,-3.2482342023,0.0,-0.049251414,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Nb,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Nb +mp-1112580,Cs2LiNbF6,-5.522096158,-2.9951055124,0.1159122995,0.1159122995,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Nb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Nb +mp-761164,LiNbF5,-6.2838654871,-3.2027765237,0.0881323408,0.0881323408,GGA,C2/m,A5BC_mC56_12_2i4j_j_gi:F-Li-Nb,28.0,"Invalid WP multiplicities - A5BC_mC56_12_4i13j_j_2gi:F-Li-Nb, expected Li2Nb3F30 to be LiNbF5" +mp-4185,Na3ScF6,-5.7010687440000005,-3.5241768650000003,0.0,-0.041696144,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-Na-Sc,20.0,A6B3C_mP20_14_3e_ae_b:F-Na-Sc +mp-1113433,Na3ScF6,-5.597712749,-3.42082087,0.103355995,0.061659851,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Sc,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Sc +mp-1111062,Na2ScHgF6,-4.974947554,-2.8999401678,0.3065565548,0.3065565548,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Sc +mp-1210202,NaHgH2Cl3,-2.325996395,-0.3321010052,0.746651485,0.746651485,GGA,Pnma,A3B2CD_oP28_62_3c_2c_c_c:Cl-H-Hg-Na,28.0,A3B2CD_oP28_62_3c_2c_c_c:Cl-H-Hg-Na +mp-1214154,Ca2ScReO6,-8.2210522605,-2.9742194287,0.1209512556,0.1209512556,GGA,Pnnm,A2B6CD_oP20_58_g_gh_a_c:Ca-O-Re-Sc,20.0,A2B6CD_oP20_58_g_gh_a_c:Ca-O-Re-Sc +mp-1201574,In2Hg6(PCl3)3,-2.9156394212,-0.9055300657,0.0,-0.0541743708,GGA,P2_1,A9B6C2D3_mP40_4_9a_6a_2a_3a:Cl-Hg-In-P,40.0,A9B6C2D3_mP40_4_9a_6a_2a_3a:Cl-Hg-In-P +mp-1111075,Na2InAsF6,-4.47581624,-2.3233435873,0.3548984574,0.3548984574,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-In-Na +mp-21622,Na3InAs2,-3.1060154275,-0.4330993574,0.0,-0.0808094647,GGA,P2_1/c,A2BC3_mP48_14_4e_2e_6e:As-In-Na,48.0,A2BC3_mP48_14_4e_2e_6e:As-In-Na +mp-1224024,HoFe10Mo2N,-8.6625718979,-0.1403993182,0.1351981143,0.1351981143,GGA,Immm,A10BC2D_oI28_71_efgk_c_h_a:Fe-Ho-Mo-N,14.0,A10BC2D_oI28_71_efgk_c_h_a:Fe-Ho-Mo-N +mp-1224139,Ho(Fe5Mo)2,-8.5477132469,-0.0112577708,0.0163096564,0.0163096564,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Ho-Mo,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Ho-Mo +mp-1212403,Ho2Fe17N3,-8.37828412,-0.2798903434,0.0977042102,0.0977042102,GGA,P6_3/mmc,A17B2C3_hP44_194_fgjk_bc_h:Fe-Ho-N,44.0,A17B2C3_hP44_194_fgjk_bc_h:Fe-Ho-N +mp-1226222,Cs3Y7Se12,-6.1696518248,-2.0831771593,0.0,-0.103062702,GGA,Pmn2_1,A3B12C7_oP44_31_3a_12a_7a:Cs-Se-Y,44.0,"Invalid WP multiplicities - A3B12C7_oP44_31_4a_18a_10a:Cs-Se-Y, expected Cs2Y5Se9 to be Cs3Y7Se12" +mp-1213646,CsYMnSe3,-6.0761426883,-1.5742054866,0.0,-0.0519935685,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Mn-Se-Y +mp-568329,K3Na2SnBi3,-2.7718508203,-0.3821523011,0.0,-0.0100250474,GGA,Ibca,A3B3C2D_oI72_73_cf_cf_2d_d:Bi-K-Na-Sn,36.0,"Invalid WP multiplicities - A3B3C2D_oI72_73_4c3f_3c3f_4d_d:Bi-K-Na-Sn, expected K9Na4SnBi10 to be K3Na2SnBi3" +mp-29387,K5SnBi3,-2.7085122633000003,-0.3659529322,0.0047622911,0.0047622911,GGA,P2_1/c,A3B5C_mP36_14_3e_5e_e:Bi-K-Sn,36.0,A3B5C_mP36_14_3e_5e_e:Bi-K-Sn +mp-31486,K2SnBi,-2.8820889562,-0.3643742365,0.0,-0.028167382,GGA,Pbcm,AB2C_oP16_57_d_2d_c:Bi-K-Sn,16.0,"Invalid WP multiplicities - AB2C_oP16_57_d_3d_c:Bi-K-Sn, expected K3SnBi to be K2SnBi" +mp-863707,KNa2Bi,-2.28752355,-0.388538884,0.0,-0.0082185847,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-K-Na,4.0,ABC2_cF16_225_a_b_c:Bi-K-Na +mp-19166,Sr3NiPtO6,-6.5120494234,-2.2756964573,0.0,-0.0217224178,GGA+U,R-3c,AB6CD3_hR66_167_a_f_b_e:Ni-O-Pt-Sr,44.0,AB6CD3_hR66_167_a_f_b_e:Ni-O-Pt-Sr +mp-759747,Sr4(NiO3)3,-6.3703645256,-2.0817031347,0.0,-0.0058403682,GGA+U,P321,A3B9C4_hP48_150_ac3d_f4g_efg:Ni-O-Sr,48.0,"Invalid WP multiplicities - A3B9C4_hP48_150_ac6d_3f22g_3e2f3g:Ni-O-Sr, expected Sr11Ni5O47 to be Sr4(NiO3)3" +mp-685197,Sr18Ni13O42,-6.3137991242,-2.0218322082,0.0212451791,0.0212451791,GGA+U,R3,A13B42C18_hR219_146_13a_14b_6b:Ni-O-Sr,73.0,"Invalid WP multiplicities - A13B42C18_hR219_146_13a_22b_16b:Ni-O-Sr, expected Sr48Ni13O66 to be Sr18Ni13O42" +mp-675428,Sr24Ni19O54,-6.3220835752,-2.0180461503,0.060246541,0.060246541,GGA+U,P1,A19B54C24_aP97_1_19a_54a_24a:Ni-O-Sr,97.0,A19B54C24_aP97_1_19a_54a_24a:Ni-O-Sr +mp-18898,Sr(NiO2)4,-6.2078296881,-1.2552489294,0.0059333402,0.0059333402,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Ni-O-Sr,26.0,A4B8C_hR39_166_bd_ch_a:Ni-O-Sr +mp-530428,Sr9(NiO3)7,-6.3358256424,-2.0237483242,0.0214100496,0.0214100496,GGA+U,P1,A7B21C9_aP74_1_14a_42a_18a:Ni-O-Sr,74.0,A7B21C9_aP74_1_14a_42a_18a:Ni-O-Sr +mp-759887,Sr9(NiO3)7,-6.3569512434,-2.0448739251,0.0002844486,0.0002844486,GGA+U,R-3c,A7B21C9_hR222_167_b3c_e3f_ef:Ni-O-Sr,74.0,"Invalid WP multiplicities - A7B21C9_hR222_167_2b9c_4e23f_6e7f:Ni-O-Sr, expected Sr6Ni2O15 to be Sr9(NiO3)7" +mp-19190,SrNiO2,-6.3600015763,-2.0192496873,0.1289745325,0.1289745325,GGA+U,Cmcm,AB2C_oC16_63_c_2c_c:Ni-O-Sr,8.0,AB2C_oC16_63_c_2c_c:Ni-O-Sr +mp-752649,SrNiO3,-6.203257982,-1.7413187286,0.069953175,0.069953175,GGA+U,C2,AB3C_mC10_5_b_ac_a:Ni-O-Sr,5.0,AB3C_mC10_5_b_ac_a:Ni-O-Sr +mp-1291939,SrNiO3,-6.2211368685,-1.7591976151000002,0.0520742885,0.0520742885,GGA+U,Pmma,AB3C_oP20_51_2e_ac2fi_2f:Ni-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oP20_51_2e_2a2c2f4i_2f:Ni-O-Sr, expected SrNiO7 to be SrNiO3" +mp-1101421,SrNiO3,-6.2252305455,-1.7632912921,0.0479806115,0.0479806115,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ni-O-Sr, expected SrNiO7 to be SrNiO3" +mp-1281591,SrNiO3,-6.2143859635,-1.7524467101,0.0588251935,0.0588251935,GGA+U,Cmmm,AB3C_oC40_65_2g_abg2hp_fj:Ni-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oC40_65_2g_ab2g3hp_2f2j:Ni-O-Sr, expected Sr2NiO4 to be SrNiO3" +mp-1299294,SrNiO3,-6.2194994765,-1.7575602231,0.0537116805,0.0537116805,GGA+U,R-3m,AB3C_hR60_166_2c_deh_abc:Ni-O-Sr,20.0,"Invalid WP multiplicities - AB3C_hR60_166_2c_2d3e5h_ab2c:Ni-O-Sr, expected Sr6Ni4O45 to be SrNiO3" +mp-762506,SrNiO3,-6.22725944,-1.7653201866,0.045951717,0.045951717,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Sr,10.0,AB3C_cP5_221_b_c_a:Ni-O-Sr +mp-569116,Sc2B6Rh,-7.4030846378,-0.7246850039,0.0,-0.0789302787,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Rh-Sc,36.0,"Invalid WP multiplicities - A6BC2_oP36_55_22h_g_3g:B-Rh-Sc, expected Sc3B22Rh to be Sc2B6Rh" +mp-569875,ScBRh3,-7.774343224,-0.7533863268000001,0.0,-0.0890803481,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Sc,5.0,AB3C_cP5_221_b_c_a:B-Rh-Sc +mp-1219416,Sc5BRh15,-7.7164787538,-0.6304618326,0.0112712043,0.0112712043,GGA,P4/mmm,AB15C5_tP21_123_b_ae2g2i_c2h:B-Rh-Sc,21.0,"Invalid WP multiplicities - AB15C5_tP21_123_b_a2e3g6i_c3h:B-Rh-Sc, expected Sc7BRh35 to be Sc5BRh15" +mp-1200575,Sc4B12Rh17,-7.6097789929,-0.6196028880000001,0.0,-0.0205122258,GGA,P2_1/c,A12B17C4_mP132_14_12e_17e_4e:B-Rh-Sc,132.0,A12B17C4_mP132_14_12e_17e_4e:B-Rh-Sc +mp-1219413,Sc8B8As3Rh20,-7.5930264338,-0.7889649051000001,0.0,-0.0113070731,GGA,P2/m,A3B8C20D8_mP39_10_en_4n_ac9m_4n:As-B-Rh-Sc,39.0,"Invalid WP multiplicities - A3B8C20D8_mP39_10_en_8n_ac17m_8n:As-B-Rh-Sc, expected Sc16B16(AsRh12)3 to be Sc8B8As3Rh20" +mp-542020,Sc3B2Rh5,-7.796043313,-0.8782702923,0.0,-0.0368388002,GGA,P4/mbm,A2B5C3_tP20_127_g_cj_ag:B-Rh-Sc,20.0,A2B5C3_tP20_127_g_cj_ag:B-Rh-Sc +mp-2218738,MgCo2(BiO4)2,-6.3097501185,-1.4581036885,0.2185302354,0.2185302354,GGA+U,C2/m,A2B2CD8_mC26_12_e_ac_b_2ij:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_f_bc_a_3i2j:Bi-Co-Mg-O, expected MgCo2(BiO7)2 to be MgCo2(BiO4)2" +mp-2227590,MgCo2(BiO4)2,-6.3991167962,-1.5474703662,0.1291635577,0.1291635577,GGA+U,C2/m,A2B2CD8_mC26_12_ac_e_b_2ij:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_ac_e_b_4i3j:Bi-Co-Mg-O, expected MgCo2(BiO10)2 to be MgCo2(BiO4)2" +mp-2218405,MgCo2(BiO4)2,-6.3525104077,-1.5008639777,0.1757699462,0.1757699462,GGA+U,Imm2,A2B2CD8_oI26_44_c_d_a_2c2d:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oI26_44_c_d_a_4c4d:Bi-Co-Mg-O, expected MgCo2(BiO8)2 to be MgCo2(BiO4)2" +mp-2218372,MgCo3BiO8,-6.5103262662,-1.4073084004,0.1798724295,0.1798724295,GGA+U,P-1,AB3CD8_aP13_2_b_ace_h_4i:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - AB3CD8_aP13_2_b_ace_h_7i:Bi-Co-Mg-O, expected MgCo3BiO14 to be MgCo3BiO8" +mp-2218764,MgCo3BiO8,-6.5784685538000005,-1.4754506881,0.1117301418,0.1117301418,GGA+U,C2/m,AB3CD8_mC26_12_c_ae_b_2ij:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - AB3CD8_aP13_2_b_acd_e_7i:Bi-Co-Mg-O, expected MgCo3BiO14 to be MgCo3BiO8" +mp-2218611,MgCo3BiO8,-6.5156471892,-1.4126293235,0.1745515064,0.1745515064,GGA+U,R3m,AB3CD8_hR39_160_a_b_a_2a2b:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - AB3CD8_hR39_160_a_b_a_2a4b:Bi-Co-Mg-O, expected MgCo3BiO14 to be MgCo3BiO8" +mp-2240855,MgCo3BiO8,-6.60297969,-1.4999618242,0.0872190056,0.0872190056,GGA+U,R-3m,AB3CD8_hR39_166_a_d_b_ch:Bi-Co-Mg-O,13.0,"Invalid WP multiplicities - AB3CD8_hR39_166_a_d_b_2c3h:Bi-Co-Mg-O, expected MgCo3BiO22 to be MgCo3BiO8" +mp-1035048,Mg14CoBiO16,-6.2164809850000005,-2.7008638911,0.1414460088,0.1414460088,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Co-Mg-O, expected Mg18CoBiO20 to be Mg14CoBiO16" +mp-1034825,Mg14CoBiO16,-6.2208019131,-2.7051848192,0.1371250807,0.1371250807,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Co-Mg-O, expected Mg30CoBiO32 to be Mg14CoBiO16" +mp-1036923,Mg30CoBiO32,-6.2783311975,-2.8837804602,0.0643946394,0.0643946394,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Co-Mg-O, expected Mg90CoBiO80 to be Mg30CoBiO32" +mp-1036911,Mg30CoBiO32,-6.2807267491,-2.8861760118,0.0619990878,0.0619990878,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Co-Mg-O, expected Mg110CoBiO72 to be Mg30CoBiO32" +mp-2230223,MgCo5BiO12,-6.54179886,-1.2606081921,0.1669304275,0.1669304275,GGA+U,P1,AB5CD12_aP19_1_a_5a_a_12a:Bi-Co-Mg-O,19.0,AB5CD12_aP19_1_a_5a_a_12a:Bi-Co-Mg-O +mp-2231580,MgCo5BiO12,-6.5140300537,-1.2328393858,0.1946992339,0.1946992339,GGA+U,P1,AB5CD12_aP19_1_a_5a_a_12a:Bi-Co-Mg-O,19.0,AB5CD12_aP19_1_a_5a_a_12a:Bi-Co-Mg-O +mp-2230237,MgCo5BiO12,-6.5282746253,-1.2470839574,0.1804546623,0.1804546623,GGA+U,Cm,AB5CD12_mC38_8_a_a2b_a_4a4b:Bi-Co-Mg-O,19.0,"Invalid WP multiplicities - AB5CD12_mC38_8_a_a3b_a_4a7b:Bi-Co-Mg-O, expected MgCo7BiO18 to be MgCo5BiO12" +mp-1031710,Mg6CoBiO8,-6.1523317106,-2.3945819034,0.235997597,0.235997597,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Co-Mg-O, expected Mg6CoBiO12 to be Mg6CoBiO8" +mp-1031722,Mg6CoBiO8,-6.10540409,-2.3476542828,0.2829252176,0.2829252176,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Co-Mg-O, expected Mg6CoBiO12 to be Mg6CoBiO8" +mp-1042617,MgCoBi2O7,-6.1329208753,-1.495066595,0.1981181926,0.1981181926,GGA+U,P2_1/c,A2BCD7_mP88_14_4e_2e_2e_14e:Bi-Co-Mg-O,88.0,"Invalid WP multiplicities - A2BCD7_mP88_14_7e_2e_3e_17e:Bi-Co-Mg-O, expected Mg3Co2Bi7O17 to be MgCoBi2O7" +mp-1022032,Mg6CoBi,-2.4652381187,0.1035727844,0.1897665959,0.1897665959,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Co-Mg, expected Mg12CoBi to be Mg6CoBi" +mp-1022072,Mg6CoBi,-2.48366214,0.0851487631,0.1713425746,0.1713425746,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Co-Mg, expected Mg12CoBi to be Mg6CoBi" +mp-2240517,MgCoBiO3,-5.967513595,-1.4026547435,0.5221567585,0.5221567585,GGA+U,Pmm2,ABCD3_oP6_25_c_b_a_abd:Bi-Co-Mg-O,6.0,ABCD3_oP6_25_c_b_a_abd:Bi-Co-Mg-O +mp-2226666,MgCoBiO3,-5.8013530367,-1.2364941852,0.6883173169,0.6883173169,GGA+U,P4mm,ABCD3_tP6_99_b_a_a_ac:Bi-Co-Mg-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_99_b_a_a_a2c:Bi-Co-Mg-O, expected MgCoBiO5 to be MgCoBiO3" +mp-2227479,MgCoBiO3,-5.896670675,-1.3318118235,0.5929996785,0.5929996785,GGA+U,P4mm,ABCD3_tP6_99_a_b_a_bc:Bi-Co-Mg-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_99_a_b_a_b2c:Bi-Co-Mg-O, expected MgCoBiO5 to be MgCoBiO3" +mp-2230779,MgCo2(BiO3)4,-6.1958281079,-1.4306103871,0.1830214711,0.1830214711,GGA+U,Cm,A4B2CD12_mC38_8_4a_2a_a_6a3b:Bi-Co-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mC38_8_4a_2a_a_6a5b:Bi-Co-Mg-O, expected MgCo2(BiO4)4 to be MgCo2(BiO3)4" +mp-2230473,MgCo2(BiO3)4,-6.2399592589,-1.4747415382,0.13889032,0.13889032,GGA+U,P2/m,A4B2CD12_mP19_10_jk_ce_b_mn2o:Bi-Co-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mP19_10_ik_bc_e_m2n4o:Bi-Co-Mg-O, expected MgCo2(Bi2O11)2 to be MgCo2(BiO3)4" +mp-2230975,MgCo2(BiO3)4,-6.1664647421,-1.4012470213,0.2123848368,0.2123848368,GGA+U,Amm2,A4B2CD12_oC38_38_2c_ab_a_2b2cdf:Bi-Co-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_oC38_38_2c_ab_a_2b2c2d2f:Bi-Co-Mg-O, expected MgCo2(Bi2O9)2 to be MgCo2(BiO3)4" +mp-2230224,MgCo2(BiO3)4,-6.1529832737,-1.3877655529,0.2258663053,0.2258663053,GGA+U,P-4,A4B2CD12_tP19_81_2g_g_a_3h:Bi-Co-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_tP19_81_4g_g_a_11h:Bi-Co-Mg-O, expected MgCo2(Bi2O11)4 to be MgCo2(BiO3)4" +mp-1028383,Mg14CoBi,-2.0355920194,0.0489534572,0.1043422722,0.1043422722,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Co-Mg, expected Mg18CoBi to be Mg14CoBi" +mp-1028375,Mg14CoBi,-2.0374257406,0.0471197359,0.102508551,0.102508551,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Co-Mg, expected Mg26CoBi to be Mg14CoBi" +mp-1044230,MgCoBiO5,-6.3539314525,-1.6936151361,0.0805911784,0.0805911784,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Co-Mg-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Co-Mg-O, expected MgCoBiO15 to be MgCoBiO5" +mp-1042682,MgCoBiO5,-6.2338053097,-1.5734889933,0.2007173213,0.2007173213,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Co-Mg-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Co-Mg-O, expected MgCoBiO31 to be MgCoBiO5" +mp-8603,RbAgO,-3.9235193392,-1.0035930768,0.0,-0.1010839642,GGA,I4/mmm,ABC_tI24_139_h_i_j:Ag-O-Rb,12.0,ABC_tI24_139_h_i_j:Ag-O-Rb +mp-1008813,RbAgO,-3.3797239967,-0.4597977343,0.5437953425000001,0.4427113783,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-O-Rb,3.0,ABC_cF12_216_a_c_b:Ag-O-Rb +mp-1235473,RbLiAgO2,-4.112326918,-0.989248845,0.3354521068,0.3354521068,GGA,Pmm2,ABC2D_oP5_25_c_b_f_a:Ag-Li-O-Rb,5.0,ABC2D_oP5_25_c_b_f_a:Ag-Li-O-Rb +mp-1235193,RbLiAgO2,-4.143843796,-1.020765723,0.3039352288,0.3039352288,GGA,Pmmm,ABC2D_oP5_47_b_a_k_c:Ag-Li-O-Rb,5.0,ABC2D_oP5_47_b_a_k_c:Ag-Li-O-Rb +mp-1236284,RbLiAgO2,-4.241085752,-1.118007679,0.2066932727,0.2066932727,GGA,Pmmm,ABC2D_oP5_47_c_e_l_b:Ag-Li-O-Rb,5.0,ABC2D_oP5_47_c_e_l_b:Ag-Li-O-Rb +mp-553907,Rb3AgO2,-3.7412467905,-1.12999085,0.0,-0.0613980759,GGA,P2_12_12_1,AB2C3_oP96_19_4a_8a_12a:Ag-O-Rb,96.0,"Invalid WP multiplicities - AB2C3_oP96_19_14a_28a_45a:Ag-O-Rb, expected Rb45(AgO2)14 to be Rb3AgO2" +mp-997108,RbAgO2,-4.4322003725,-1.0055834979,0.006957565,-0.1528797778,GGA,C2/c,AB2C_mC16_15_a_f_e:Ag-O-Rb,8.0,AB2C_mC16_15_c_f_e:Ag-O-Rb +mp-997084,RbAgO2,-4.3906832575,-0.9640663829,0.04847468,-0.1113626628,GGA,Pmmm,AB2C_oP4_47_a_k_d:Ag-O-Rb,4.0,AB2C_oP4_47_a_k_d:Ag-O-Rb +mp-997052,RbAgO2,-4.4391579375,-1.0125410629,0.0,-0.1598373428,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ag-O-Rb,8.0,AB2C_oC16_63_c_f_c:Ag-O-Rb +mp-975421,RbAgO3,-4.18720649,-0.4565752481,0.3534576023,0.3534576023,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ag-O-Rb +mp-778878,BaLi4O3,-5.2156075506,-2.1662659831,0.0863202394,0.0863202394,GGA,Cmc2_1,AB4C3_oC64_36_2a_4a2b_4ab:Ba-Li-O,32.0,"Invalid WP multiplicities - AB4C3_oC64_64_f_4fg_2e4f:Ba-Li-O, expected BaLi6O6 to be BaLi4O3" +mp-1178558,BaLi4O3,-5.2141988963,-2.1648573287,0.0877288937,0.0877288937,GGA,Cmce,AB4C3_oC64_64_f_2fg_e2f:Ba-Li-O,32.0,"Invalid WP multiplicities - AB4C3_oC64_64_f_4fg_2e4f:Ba-Li-O, expected BaLi6O6 to be BaLi4O3" +mp-1183284,BaLiO3,-5.387844742,-1.6542519539,0.308695115,0.308695115,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Li-O,5.0,ABC3_cP5_221_a_b_c:Ba-Li-O +mp-1235078,Ba4Li(RhO3)4,-6.6600972024,-1.9742725052,0.0886988672,0.0886988672,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Li-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a7b_4a:Ba-Li-O-Rh, expected Ba4Li(Rh2O9)2 to be Ba4Li(RhO3)4" +mp-1235169,Ba4Li(RhO3)4,-6.6592120643,-1.9733873671,0.0895840053,0.0895840053,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Li-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a8b_4a:Ba-Li-O-Rh, expected Ba4Li(RhO5)4 to be Ba4Li(RhO3)4" +mp-1236625,Ba4Li(RhO3)4,-6.5947261319,-1.9089014347,0.1540699376,0.1540699376,GGA,P3m1,A4BC12D4_hP21_156_ab2c_a_4d_2a2b:Ba-Li-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_hP21_156_ab2c_a_8d_2a2b:Ba-Li-O-Rh, expected Ba4Li(RhO6)4 to be Ba4Li(RhO3)4" +mp-1235235,Ba4Li(RhO3)4,-6.6552375205,-1.9694128233,0.0935585491,0.0935585491,GGA,P-6m2,A4BC12D4_hP21_187_adi_e_jkn_gh:Ba-Li-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_hP21_187_adi_e_2j2kn_g2h:Ba-Li-O-Rh, expected Ba4Li(RhO3)6 to be Ba4Li(RhO3)4" +mp-3980,LiSbF6,-5.0584822887,-2.8701325498,0.0,-0.1471636334,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Sb,8.0,A6BC_hR24_148_f_a_b:F-Li-Sb +mp-1211789,Li3SbF6,-4.925856481,-2.7933921165,0.1845208539,0.1845208539,GGA,P-1,A6B3C_aP10_2_3i_bce_a:F-Li-Sb,10.0,A6B3C_aP10_2_3i_bce_a:F-Li-Sb +mp-1237474,Li3SbF6,-4.953483058,-2.8210186935,0.1568942769,0.1568942769,GGA,P-1,A6B3C_aP10_2_3i_ade_b:F-Li-Sb,10.0,A6B3C_aP10_2_3i_ade_b:F-Li-Sb +mp-1110577,Li3SbF6,-4.769775223,-2.6373108585,0.3406021119,0.3406021119,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Sb,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Sb +mp-1195657,LiSb2F7,-5.1446091548,-2.7898813428,0.0,-0.0038734275,GGA,Pnma,A7BC2_oP40_62_c3d_c_d:F-Li-Sb,40.0,A7BC2_oP40_62_c3d_c_d:F-Li-Sb +mp-760014,LiSbF4,-5.0598721938,-2.7792321976,0.0733263544,0.0733263544,GGA,P1,A4BC_aP96_1_64a_16a_16a:F-Li-Sb,96.0,A4BC_aP96_1_64a_16a_16a:F-Li-Sb +mp-1190441,LiSbF4,-5.1322483588,-2.8516083626,0.0009501894,0.0009501894,GGA,P2_13,A4BC_cP24_198_ab_a_a:F-Li-Sb,24.0,A4BC_cP24_198_ab_a_a:F-Li-Sb +mp-1110971,Cs2LiSbF6,-4.809962711,-2.8802024454,0.089258367,0.089258367,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Sb +mp-1180814,LuBr3O8,-4.6933234415000005,-0.6305280081,0.3744551387,0.3744551387,GGA,P2_1/c,A3BC8_mP48_14_3e_e_8e:Br-Lu-O,48.0,A3BC8_mP48_14_3e_e_8e:Br-Lu-O +mp-545847,LuBi2BrO4,-6.64460934,-2.4518953456,0.0,-0.0304998152,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Lu-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Lu-O +mp-973981,LuBrO,-7.0592151767,-3.3856593229,0.0,-0.0816972954,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Lu-O,6.0,ABC_tP6_129_c_c_a:Br-Lu-O +mp-1210807,Lu2Br2O,-4.822893376,-1.4039640938,1.2348614763,1.2348614763,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Lu-O,5.0,A2B2C_tP5_123_g_g_a:Br-Lu-O +mp-18068,Ag2TeO3,-4.8517092879,-0.9102952823,0.0474255331,0.0474255331,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Ag-O-Te,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_4e_3e_e:Ag-O-Te, expected Ag4TeO3 to be Ag2TeO3" +mp-2977,CuAgTe2,-3.5179196875,-0.2133260725,0.0536118909,0.0536118909,GGA,Pmm2,ABC2_oP4_25_a_d_bc:Ag-Cu-Te,4.0,ABC2_oP4_25_a_d_bc:Ag-Cu-Te +mp-1225652,CuAgTe,-3.3971578933,-0.0388017044,0.1547850692,0.1547850692,GGA,F-43m,ABC_cF12_216_a_b_c:Ag-Cu-Te,3.0,ABC_cF12_216_a_b_c:Ag-Cu-Te +mp-13211,Ag2Te2O7,-5.3371895736,-1.1027764125,0.0015637927,0.0015637927,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ag-O-Te,22.0,A2B7C2_oI44_74_ac_ehj_bd:Ag-O-Te +mp-755598,Ag2TeO4,-4.9652891093,-0.8802644314,0.0879071114,0.0679998468,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Ag-O-Te,14.0,A2B4C_oF56_70_e_h_a:Ag-O-Te +mp-893071,Ag2TeO4,-4.9649484736,-0.8799237957,0.0882477471,0.0683404825,GGA,C2/c,A2B4C_mC28_15_2e_2f_e:Ag-O-Te,14.0,A2B4C_oF56_70_e_h_a:Ag-O-Te +mp-558768,Ag2TeO4,-5.0531962207,-0.9681715429,0.0,-0.0199072646,GGA,C2/c,A2B4C_mC84_15_2e2f_6f_af:Ag-O-Te,42.0,"Invalid WP multiplicities - A2B4C_mC84_15_4e7f_22f_2c2f:Ag-O-Te, expected Ag9Te3O22 to be Ag2TeO4" +mp-1178564,Ag2TeO4,-4.9660242586,-0.8809995807000001,0.0871719621,0.0672646975,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ag-O-Te,14.0,A2B4C_oF56_70_e_h_a:Ag-O-Te +mp-561489,AgTeO3,-5.292326426,-1.1291408199,0.0201241585,-0.0027554864,GGA,P2_1/m,AB3C_mP20_11_ae_2e2f_ce:Ag-O-Te,20.0,"Invalid WP multiplicities - AB3C_mP20_11_ae_4e6f_de:Ag-O-Te, expected AgTeO8 to be AgTeO3" +mp-558637,AgTeO3,-5.2919762347,-1.1287906287,0.0204743498,-0.0024052951,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Ag-O-Te,40.0,"Invalid WP multiplicities - AB3C_mP40_14_7e_22e_5e:Ag-O-Te, expected Ag7Te5O22 to be AgTeO3" +mp-559257,AgTeO3,-5.3124505845,-1.1492649784,0.0,-0.0228796449,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Ag-O-Te,40.0,"Invalid WP multiplicities - AB3C_mP40_14_6e_20e_6e:Ag-O-Te, expected Ag3Te3O10 to be AgTeO3" +mp-554357,Ag4TeO5,-4.6967507775,-0.7760534312,0.0,-0.0014396295,GGA,C2/c,A4B5C_mC80_15_ce3f_5f_f:Ag-O-Te,40.0,"Invalid WP multiplicities - A4B5C_mC80_15_2ae10f_16f_f:Ag-O-Te, expected Ag23(TeO16)2 to be Ag4TeO5" +mp-555515,CuAg4TeO6,-4.8236828546,-0.8026104509,0.0046670936,0.0046670936,GGA,C2/c,A4BC6D_mC48_15_cef_e_3f_e:Ag-Cu-O-Te,24.0,"Invalid WP multiplicities - A4BC6D_mC48_15_c2e2f_e_7f_e:Ag-Cu-O-Te, expected CuAg7TeO14 to be CuAg4TeO6" +mp-561380,Ag2Te4O11,-5.5189839124,-1.2453420651,0.0148984038,0.0148984038,GGA,P-1,A2B11C4_aP34_2_2i_11i_4i:Ag-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_aP34_2_4i_22i_6i:Ag-O-Te, expected Ag2Te3O11 to be Ag2Te4O11" +mp-1182991,Ag2TeO6,-4.8183437778,-0.5418382036,0.2657299139,0.2657299139,GGA,Cc,A2B6C_mC36_9_2a_6a_a:Ag-O-Te,18.0,"Invalid WP multiplicities - A2B6C_mC36_9_4a_12a_a:Ag-O-Te, expected Ag4TeO12 to be Ag2TeO6" +mp-1183014,Ag2TeO6,-4.9146636578,-0.6381580836,0.1694100339,0.1694100339,GGA,Cc,A2B6C_mC36_9_2a_6a_a:Ag-O-Te,18.0,"Invalid WP multiplicities - A2B6C_mC36_9_4a_12a_a:Ag-O-Te, expected Ag4TeO12 to be Ag2TeO6" +mp-1189776,Ag2TeO6,-4.8240987039,-0.5475931297000001,0.2599749878,0.2599749878,GGA,Fdd2,A2B6C_oF72_43_b_3b_a:Ag-O-Te,18.0,A2B6C_oF72_43_b_3b_a:Ag-O-Te +mp-755065,Ce2Ti2O7,-9.3240264364,-3.6618461344,0.0218329066,0.0218329066,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ce-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ce-O-Ti, expected CeTiO10 to be Ce2Ti2O7" +mp-505070,CeTa3O9,-10.0909906685,-3.4735583264,0.017096065,0.017096065,GGA,C2/m,AB9C3_mC52_12_i_3i3j_ej:Ce-O-Ta,26.0,AB9C3_mC52_12_i_3i3j_ej:Ce-O-Ta +mp-754405,Ce2TiO5,-9.2063716606,-3.6444824253,0.1071439122,0.089892461,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Ce-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e5f_c:Ce-O-Ti, expected Ce2TiO12 to be Ce2TiO5" +mp-768309,Ce2TiO5,-9.3135155728,-3.7516263374,0.0,-0.0172514511,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Ce-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Ce-O-Ti, expected Ce5TiO17 to be Ce2TiO5" +mp-1183701,CeTaO3,-9.5829654,-3.0567788163,0.3486056627,0.3486056627,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ce-O-Ta,5.0,AB3C_cP5_221_a_c_b:Ce-O-Ta +mp-1173109,TaTiO4,-9.897567485,-3.3075634031,0.0154682846,0.0154682846,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Ta-Ti,6.0,A4BC_oC12_65_gj_a_c:O-Ta-Ti +mp-760439,TaTiO4,-9.9080682442,-3.3180641622,0.0049675254,0.0049675254,GGA,I4_1md,A4BC_tI24_109_2b_a_a:O-Ta-Ti,12.0,"Invalid WP multiplicities - A4BC_tI24_109_7b_a_a:O-Ta-Ti, expected TaTiO14 to be TaTiO4" +mp-1079004,CeTi2O6,-9.3518768256,-3.6402984416,0.0044628244,0.0044628244,GGA,C2/m,AB6C2_mC18_12_a_3i_i:Ce-O-Ti,9.0,AB6C2_mC18_12_a_3i_i:Ce-O-Ti +mp-1105722,CeTi2O6,-9.3070587861,-3.5954804021,0.0492808639,0.0492808639,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ce-O-Ti,18.0,AB6C2_mC36_15_e_3f_f:Ce-O-Ti +mp-22074,CeTaO4,-9.9287556929,-3.6658187546,0.0,-0.0784497127,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-Ta,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_16e_e:Ce-O-Ta, expected CeTaO16 to be CeTaO4" +mp-1227158,CeTa7O19,-10.1778374494,-3.4028515947,0.0099519687,0.0068153729,GGA,P6_322,AB19C7_hP54_182_c_2fg2i_di:Ce-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_182_c_5fg2i_di:Ce-O-Ta, expected CeTa7O25 to be CeTa7O19" +mp-1213884,CeTa7O19,-10.1877894181,-3.4128035634,0.0,-0.0031365958,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Ce-O-Ta,54.0,AB19C7_hP54_188_a_ghk2l_cl:Ce-O-Ta +mp-754141,Ce3TaO7,-9.5658604395,-3.7218726147,0.0185625598,0.0185625598,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Ce-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Ce-O-Ta, expected Ce5TaO13 to be Ce3TaO7" +mp-754524,CeTiO3,-9.23293956,-3.4992100989,0.0838094563,0.0838094563,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ce-O-Ti,5.0,AB3C_cP5_221_a_c_b:Ce-O-Ti +mp-753676,Ta2TiO6,-10.0409672706,-3.2308362101,0.0225344794,0.0225344794,GGA,C2/m,A6B2C_mC36_12_g3ij_2i_ac:O-Ta-Ti,18.0,"Invalid WP multiplicities - A6B2C_mC36_12_2g6i3j_4i_ad:O-Ta-Ti, expected Ta4TiO14 to be Ta2TiO6" +mp-1218045,Ta2TiO6,-10.045999345,-3.2358682845,0.0175024049,0.0175024049,GGA,C2/m,A6B2C_mC36_12_g3ij_aci_i:O-Ta-Ti,18.0,"Invalid WP multiplicities - A6B2C_mC36_12_2g6i3j_adi_i:O-Ta-Ti, expected Ta2TiO14 to be Ta2TiO6" +mp-1226851,CeTaTiO6,-9.7602805017,-3.6084481606,0.0029264258,0.0029264258,GGA,Pna2_1,AB6CD_oP36_33_a_6a_a_a:Ce-O-Ta-Ti,36.0,"Invalid WP multiplicities - AB6CD_oP36_33_a_16a_a_a:Ce-O-Ta-Ti, expected CeTaTiO16 to be CeTaTiO6" +mp-1213882,Ce2Ta2O9,-9.7197088373,-3.5580217626,0.0520730823,0.0520730823,GGA,P2_1/c,A2B9C2_mP26_14_e_a4e_e:Ce-O-Ta,26.0,A2B9C2_mC26_12_i_a4i_i:Ce-O-Ta +mp-16644,PrMgPt,-5.0312481633,-0.8804751217000001,0.0,-0.1052286094,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Pr-Pt,9.0,ABC_hP9_189_f_g_bc:Mg-Pr-Pt +mp-1209742,Pr2MgPtO6,-7.538170299,-2.8468345842,0.0,-0.0733177144,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mg-O-Pr-Pt,20.0,AB6C2D_mP20_14_a_3e_e_b:Mg-O-Pr-Pt +mp-1210244,Pr23Mg4Pt7,-5.2019187057,-0.5295691232,0.0,-0.0064982019,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Pt,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Pt +mp-29911,Ba3Sb2O,-4.8358635754,-1.6755942402,0.0,-0.0174314313,GGA,Pbam,A3BC2_oP24_55_2gh_g_2h:Ba-O-Sb,24.0,A3BC2_oP24_55_2gh_g_2h:Ba-O-Sb +mp-801028,Ba4Sb2O9,-6.680323712,-2.6500503359,0.0,-0.0899255047,GGA,P6_3/mmc,A4B9C2_hP30_194_abf_hk_f:Ba-O-Sb,30.0,A4B9C2_hP30_194_abf_hk_f:Ba-O-Sb +mp-752404,Ba2Sb2O7,-6.7115936718,-2.4640688228,0.0374417918,0.0374417918,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ba-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ac_2e2h3j_2b2d:Ba-O-Sb, expected BaSb2O9 to be Ba2Sb2O7" +mp-1042189,Ba2Sb3O8,-6.5424243162,-2.2502348323,0.1459826908,0.1459826908,GGA,P4/mmm,A2B8C3_tP13_123_h_egi_bg:Ba-O-Sb,13.0,"Invalid WP multiplicities - A2B8C3_tP13_123_h_2e2g2i_b2g:Ba-O-Sb, expected Ba2Sb5O16 to be Ba2Sb3O8" +mp-16281,Cd2Sb2O7,-5.8492585009,-1.7828400483,0.0092189036,-0.0230077418,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Cd-O-Sb,22.0,A2B7C2_oI44_74_ac_ehj_bd:Cd-O-Sb +mp-1191189,Cd2Sb2O7,-5.8584774045,-1.7920589519,0.0,-0.0322266455,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Cd-O-Sb +mp-555414,Ba3Sb4O,-4.7657647869,-1.3633124755,0.0,-0.0202824585,GGA,P2_1/c,A3BC4_mP32_14_3e_e_4e:Ba-O-Sb,32.0,"Invalid WP multiplicities - A3BC4_mP32_14_11e_e_14e:Ba-O-Sb, expected Ba11Sb14O to be Ba3Sb4O" +mp-9127,Ba(SbO3)2,-6.8062952567,-2.3777275136,0.0,-0.2063460861,GGA,P-31m,AB6C2_hP9_162_a_k_d:Ba-O-Sb,9.0,AB6C2_hP9_162_a_k_d:Ba-O-Sb +mp-1048150,Ba2Sb3O7,-6.3717451633,-2.1340972818,0.2195711934,0.2195711934,GGA,Pmm2,A2B7C3_oP12_25_e_ae2f_bf:Ba-O-Sb,12.0,A2B7C3_oP12_25_e_ae2f_bf:Ba-O-Sb +mp-8922,Cd(SbO3)2,-6.1653871622,-1.8474955503,0.0,-0.0867868217,GGA,P-31m,AB6C2_hP9_162_a_k_d:Cd-O-Sb,9.0,AB6C2_hP9_162_a_k_d:Cd-O-Sb +mp-31238,Ba3(SbO3)2,-6.5459114315,-2.573633289,0.0,-0.0229129104,GGA,P-1,A3B6C2_aP33_2_a4i_9i_3i:Ba-O-Sb,33.0,"Invalid WP multiplicities - A3B6C2_aP33_2_a6i_10i_3i:Ba-O-Sb, expected Ba13(Sb3O10)2 to be Ba3(SbO3)2" +mp-725927,Ba(SbO2)3,-6.4209208245,-2.0223097318,0.1197493352,0.1197493352,GGA,P2_1/c,AB6C3_mP40_14_e_6e_3e:Ba-O-Sb,40.0,AB6C3_mP40_14_e_6e_3e:Ba-O-Sb +mp-1228369,Ba2Sb2O5,-6.4314567189,-2.3393016171,0.1506279892,0.0900354766,GGA,Amm2,A2B5C2_oC18_38_ab_a2c_ab:Ba-O-Sb,9.0,"Invalid WP multiplicities - A2B5C2_oC18_38_ab_a4c_ab:Ba-O-Sb, expected Ba2Sb2O9 to be Ba2Sb2O5" +mp-765493,Ba2Sb2O5,-6.5820847081,-2.4899296063,0.0,-0.0605925125,GGA,Pnma,A2B5C2_oP36_62_2c_c2d_2c:Ba-O-Sb,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_7c_4c10d_7c:Ba-O-Sb, expected Ba7Sb7O24 to be Ba2Sb2O5" +mp-1047430,Ba(SbO2)4,-6.2707227192,-1.8085312123,0.2880261657,0.2880261657,GGA,P-31m,AB8C4_hP13_162_a_ck_h:Ba-O-Sb,13.0,AB8C4_hP13_162_a_ck_h:Ba-O-Sb +mp-1048167,BaSb4O7,-5.9668935829,-1.545076843,0.4839598082,0.4839598082,GGA,P6_3mc,AB7C4_hP24_186_b_a2c_ac:Ba-O-Sb,24.0,AB7C4_hP24_186_b_a2c_ac:Ba-O-Sb +mp-1104876,Ba5Cd2(Sb2O)2,-4.3821808931,-1.470639616,0.0,-0.0095652554,GGA,C2/m,A5B2C2D4_mC26_12_a2i_i_i_2i:Ba-Cd-O-Sb,13.0,A5B2C2D4_mC26_12_a2i_i_i_2i:Ba-Cd-O-Sb +mp-9774,Ba4Sb2O,-4.6343453714,-1.651403807,0.0,-0.0632378377,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Ba-O-Sb,7.0,A4BC2_tI14_139_ce_a_e:Ba-O-Sb +mp-1219520,Sc(CuS)3,-5.4354409029,-1.0012353721,0.0057821676,0.0057821676,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-S-Sc,14.0,A3B3C_hR42_148_f_f_c:Cu-S-Sc +mp-6980,ScCuS2,-6.209520955,-1.5333770778,0.0,-0.0265562144,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-S-Sc,4.0,AB2C_hP4_156_a_ab_c:Cu-S-Sc +mp-5970,Ba(CuS)2,-4.805018249,-1.1269606462,0.0,-0.001430234,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Ba-Cu-S,20.0,AB2C2_oP20_62_c_2c_2c:Ba-Cu-S +mp-4255,Ba(CuS)2,-4.7901472080000005,-1.1120896052,0.014871041,0.013440807,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Cu-S,5.0,AB2C2_tI10_139_a_d_e:Ba-Cu-S +mp-1147719,BaCuS2,-4.9011851575000005,-1.3284148216,0.06004498,0.0592232958,GGA,Cmcm,ABC2_oC16_63_c_a_g:Ba-Cu-S,8.0,ABC2_oC16_63_c_a_g:Ba-Cu-S +mp-1147720,BaCuS2,-4.826780395,-1.2540100591,0.1344497425,0.1336280583,GGA,I-4m2,ABC2_tI8_119_a_c_e:Ba-Cu-S,4.0,ABC2_tI8_119_a_c_e:Ba-Cu-S +mp-1096843,BaCuS2,-4.8687355725,-1.2959652366,0.092494565,0.0916728808,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ba-Cu-S,4.0,ABC2_tP4_123_a_d_e:Ba-Cu-S +mp-1147715,BaCuS2,-4.9612301375,-1.3884598016,0.0,-0.0008216842,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ba-Cu-S,8.0,ABC2_tP8_129_c_c_ac:Ba-Cu-S +mp-530144,Ba6Cu34S27,-4.6378404985,-0.7188700086,0.0,-0.0081365317,GGA,P1,A6B34C27_aP67_1_6a_34a_27a:Ba-Cu-S,67.0,A6B34C27_aP67_1_6a_34a_27a:Ba-Cu-S +mp-1103664,BaScCuS3,-5.9992523242,-1.8725856049,0.0,-0.0736545042,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-S-Sc,12.0,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-S-Sc +mp-654109,BaCu4S3,-4.65113616,-0.8104922574000001,0.0139109712,0.013487073,GGA,Pnma,AB4C3_oP32_62_c_4c_3c:Ba-Cu-S,32.0,"Invalid WP multiplicities - AB4C3_oP32_62_c_13c_8c:Ba-Cu-S, expected BaCu13S8 to be BaCu4S3" +mp-27424,BaCu4S3,-4.6650471312,-0.8244032287,0.0,-0.0004238982,GGA,Cmcm,AB4C3_oC32_63_c_2f_cf:Ba-Cu-S,16.0,"Invalid WP multiplicities - AB4C3_oC32_63_c_3f_cf:Ba-Cu-S, expected Ba(Cu2S)3 to be BaCu4S3" +mp-1181814,Cr(ClO2)3,-4.9943831385,-0.5065041668,0.3525994283,0.3525994283,GGA+U,C2/c,A3BC6_mC40_15_ef_c_3f:Cl-Cr-O,20.0,A3BC6_mC40_15_ef_a_3f:Cl-Cr-O +mp-1182153,Cr(ClO2)3,-4.480711579,0.0071673927,0.8662709878,0.8662709878,GGA+U,C2/c,A3BC6_mC40_15_ef_a_3f:Cl-Cr-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_2e3f_c_12f:Cl-Cr-O, expected Cr(ClO3)8 to be Cr(ClO2)3" +mp-1189452,Cr(ClO2)3,-4.766517766,-0.2786387943,0.5804648008000001,0.5804648008000001,GGA+U,C2/c,A3BC6_mC40_15_ef_c_3f:Cl-Cr-O,20.0,A3BC6_mC40_15_ef_c_3f:Cl-Cr-O +mp-1179227,Sr5Cr3ClO12,-7.3883717464,-2.6923998002,0.0,-0.0177278127,GGA+U,P6_3,AB3C12D5_hP42_173_a_c_4c_2bc:Cl-Cr-O-Sr,42.0,"Invalid WP multiplicities - AB3C12D5_hP42_173_a_c_21c_4b4c:Cl-Cr-O-Sr, expected Sr16Cr3ClO63 to be Sr5Cr3ClO12" +mp-555204,Sr5Cr3ClO12,-7.3866283876,-2.6906564413,0.0017433588,-0.0159844539,GGA+U,P6_3/m,AB3C12D5_hP42_176_b_h_2hi_fh:Cl-Cr-O-Sr,42.0,"Invalid WP multiplicities - AB3C12D5_hP42_176_b_h_10h7i_4f4h:Cl-Cr-O-Sr, expected Sr20Cr3ClO72 to be Sr5Cr3ClO12" +mp-738014,Cr(ClO2)2,-5.2607219243,-0.5268825479,0.5488139621,0.5488139621,GGA+U,P2_1/c,A2BC4_mP14_14_e_a_2e:Cl-Cr-O,14.0,A2BC4_mP14_14_e_a_2e:Cl-Cr-O +mp-693892,Sr2CrClO4,-7.0755787369,-2.7421630017,0.0,-0.0244879113,GGA+U,Pbcm,ABC4D2_oP32_57_d_c_2e_cd:Cl-Cr-O-Sr,32.0,"Invalid WP multiplicities - ABC4D2_oP32_57_d_c_11e_2c2d:Cl-Cr-O-Sr, expected Sr4CrClO22 to be Sr2CrClO4" +mp-1202206,CrCl3O,-5.2329281353,-1.203858903,0.1453021045,0.1453021045,GGA+U,P2_1/c,A3BC_mP40_14_6e_2e_2e:Cl-Cr-O,40.0,A3BC_mP40_14_6e_2e_2e:Cl-Cr-O +mp-22946,CrClO,-7.5071611467,-2.0244035329,0.0,-0.0006796906,GGA+U,Pmmn,ABC_oP6_59_a_b_a:Cl-Cr-O,6.0,ABC_oP6_59_a_b_a:Cl-Cr-O +mp-1079620,Cr(ClO)2,-5.903340405,-1.2546407625,0.1037158784,0.1037158784,GGA+U,P2_1,A2BC2_mP10_4_2a_a_2a:Cl-Cr-O,10.0,A2BC2_mP10_4_2a_a_2a:Cl-Cr-O +mp-1206967,Rb3LuF6,-5.470663577,-3.5775209227,0.0,-0.0269502438,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Lu-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Lu-Rb +mp-1209222,RbLuBeF6,-6.2005346389,-3.8994489431,0.0,-0.010064387,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Lu-Rb,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Lu-Rb +mp-558186,RbLu3F10,-6.7273342911,-4.323178912,0.0,-0.0783154661,GGA,Cmce,A10B3C_oC112_64_e3f3g_eg_ab:F-Lu-Rb,56.0,"Invalid WP multiplicities - A10B3C_oC112_64_4e12f20g_4e5g_2a2b:F-Lu-Rb, expected RbLu7F28 to be RbLu3F10" +mp-1096027,Ti2ZnRh,-3.710166095,2.3935927833,2.906356802,2.906356802,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Rh-Ti-Zn +mp-861961,TiZnRh2,-6.7435845,-0.7726216583000001,0.0,-0.1446179625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Ti-Zn +mp-571126,Ti2BRh6,-8.0803952244,-0.6741482218,0.0,-0.0586514213,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:B-Rh-Ti,9.0,AB6C2_cF36_225_a_e_c:B-Rh-Ti +mp-1208284,TiZn10(B4Rh9)2,-6.0191682684,-0.4384762699,0.0251339432,0.0251339432,GGA,P4/mbm,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Ti-Zn,74.0,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Ti-Zn +mp-1215547,Zn3Cr8FeS16,-6.5553031182,-0.99613063,0.0216018329,0.0216018329,GGA,R3m,A8BC16D3_hR84_160_2a2b_a_4a4b_3a:Cr-Fe-S-Zn,28.0,"Invalid WP multiplicities - A8BC16D3_hR84_160_2a6b_a_4a12b_3a:Cr-Fe-S-Zn, expected Zn3Cr20FeS40 to be Zn3Cr8FeS16" +mp-1446023,Zn(FeS2)4,-5.8841555092,-0.6355841719,0.2317291004,0.2317291004,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Fe-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Fe-S-Zn, expected Zn(Fe2S7)2 to be Zn(FeS2)4" +mp-1389627,Zn(FeS2)4,-5.8416846438,-0.5931133065,0.2741999658,0.2741999658,GGA,R-3m,A4B8C_hR39_166_ad_ch_b:Fe-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_ad_c2h_b:Fe-S-Zn, expected Zn(Fe2S7)2 to be Zn(FeS2)4" +mp-1348032,ZnFe2S5,-5.3393322194,-0.4790777988,0.4227867051,0.4227867051,GGA,Pmmn,A2B5C_oP16_59_e_a2e_b:Fe-S-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Fe-S-Zn +mp-1215469,ZnFeS2,-5.203480735,-0.7028145966,0.2077085877,0.2077085877,GGA,R3m,AB2C_hR12_160_a_2a_a:Fe-S-Zn,4.0,AB2C_hR12_160_a_2a_a:Fe-S-Zn +mp-1215502,Zn3FeS4,-4.4793994125,-0.8800179741,0.1068093253,0.1068093253,GGA,R3m,AB4C3_hR24_160_a_4a_3a:Fe-S-Zn,8.0,AB4C3_hR24_160_a_4a_3a:Fe-S-Zn +mp-1395289,Zn(FeS2)2,-5.6966200307,-0.7329649596000001,0.1508092315,0.1508092315,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Fe-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Fe-S-Zn +mp-1215530,Zn2FeS3,-4.7223010683,-0.8224913966,0.1389011977,0.1389011977,GGA,Imm2,AB3C2_oI12_44_a_bc_c:Fe-S-Zn,6.0,AB3C2_oI12_44_a_bc_c:Fe-S-Zn +mp-1215640,Zn2FeS3,-4.7246004908,-0.8247908191000001,0.1366017752,0.1366017752,GGA,R3,AB3C2_hR36_146_2a_3ab_ab:Fe-S-Zn,12.0,AB3C2_hR36_146_2a_3ab_ab:Fe-S-Zn +mp-1215436,Zn2FeS3,-4.721394605,-0.8215849332,0.1398076611,0.1398076611,GGA,P3m1,AB3C2_hP6_156_a_abc_bc:Fe-S-Zn,6.0,AB3C2_hP6_156_a_abc_bc:Fe-S-Zn +mp-1215515,Zn4FeS5,-4.327039707,-0.9079152086,0.0941729138,0.0941729138,GGA,R3m,AB5C4_hR30_160_a_5a_4a:Fe-S-Zn,10.0,AB5C4_hR30_160_a_5a_4a:Fe-S-Zn +mp-768281,Ho2Ge2O7,-7.8575582527,-3.0359496683,0.0335334116,-0.0687058798,GGA,P-1,A2B2C7_aP44_2_4i_4i_14i:Ge-Ho-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_7i_7i_27i:Ge-Ho-O, expected Ho7Ge7O27 to be Ho2Ge2O7" +mp-753693,Ho2Ge2O7,-7.8850719655,-3.063463381,0.0060196989,-0.0962195925,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:Ge-Ho-O,11.0,"Invalid WP multiplicities - A2B2C7_mC22_12_i_h_ai2j:Ge-Ho-O, expected Ho2Ge2O11 to be Ho2Ge2O7" +mp-560082,Ho2Ge2O7,-7.8910916643,-3.0694830799,0.0,-0.1022392914,GGA,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Ge-Ho-O,44.0,"Invalid WP multiplicities - A2B2C7_tP44_92_b_b_4a19b:Ge-Ho-O, expected HoGeO21 to be Ho2Ge2O7" +mp-753692,Ho2Ge2O7,-7.8819407227,-3.0603321383,0.0091509416,-0.0930883498,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Ge-Ho-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2af:Ge-Ho-O, expected HoGeO4 to be Ho2Ge2O7" +mp-1224322,HoInGe2O7,-7.2163758614,-2.5611968351,0.0047266526,0.0047266526,GGA,C2,A2BCD7_mC44_5_2c_c_c_ab6c:Ge-Ho-In-O,22.0,A2BCD7_mC44_5_2c_c_c_ab6c:Ge-Ho-In-O +mp-982558,HoGeO3,-7.165676248,-2.3565756763,0.680051747,0.680051747,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Ho-O,5.0,ABC3_cP5_221_b_a_c:Ge-Ho-O +mp-776984,HoInO3,-7.3792483065,-2.9444165598,0.0717123544,0.0717123544,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ho-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ho-In-O, expected HoInO7 to be HoInO3" +mp-768267,HoInO3,-7.4411565167,-3.0063247699,0.0098041442,0.0098041442,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Ho-In-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_a3b11c:Ho-In-O, expected Ho5In3O40 to be HoInO3" +mp-973592,Ho2Ge2O5,-7.0793589078,-2.2855459071,0.7109246026,0.7109246026,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Ge-Ho-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Ge-Ho-O, expected Ho2Ge2O9 to be Ho2Ge2O5" +mp-1376265,Mg2TaNiO6,-7.609748813499999,-2.5578881457,0.1242758157,0.1242758157,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Ni-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Mg-Ni-O-Ta, expected Mg3TaNiO18 to be Mg2TaNiO6" +mp-1394387,Mg2Ni3O8,-6.0665523554,-1.4423615992,0.0655156133,0.0655156133,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Mg-Ni-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Mg-Ni-O +mp-1042756,Mg2Ni3O8,-6.0275589685,-1.4033682123,0.1045090003,0.1045090003,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Mg-Ni-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Mg-Ni-O, expected Mg2(NiO4)3 to be Mg2Ni3O8" +mp-1374684,Mg3Ni2O7,-6.07559653,-1.8266019893,0.114508227,0.114508227,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Mg-Ni-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Mg-Ni-O, expected Mg3Ni2O9 to be Mg3Ni2O7" +mp-1401310,Mg(NiO2)4,-5.9931114523,-1.0473932631,0.1765671163,0.1765671163,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O,13.0,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O +mp-2219569,Mg(NiO2)4,-5.9139533962,-0.9682352069,0.2557251724,0.2557251724,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O,13.0,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O +mp-2219808,Mg(NiO2)4,-5.83932073,-0.8936025408,0.3303578386,0.3303578386,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O,13.0,AB4C8_mC26_8_a_4a_8a:Mg-Ni-O +mp-2233925,Mg(NiO2)4,-5.9153811169,-0.9696629277,0.2542974517,0.2542974517,GGA+U,C2/m,AB4C8_mC26_12_a_2i_4i:Mg-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_3i_7i:Mg-Ni-O, expected Mg(Ni3O7)2 to be Mg(NiO2)4" +mp-2219340,Mg(NiO2)4,-6.0592711746,-1.1135529854,0.110407394,0.110407394,GGA+U,Imm2,AB4C8_oI26_44_a_cd_2c2d:Mg-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_oI26_44_a_cd_3c4d:Mg-Ni-O, expected Mg(Ni2O7)2 to be Mg(NiO2)4" +mp-2219011,Mg(NiO2)4,-5.8653776169,-0.9196594277,0.3043009517,0.3043009517,GGA+U,I4/m,AB4C8_tI26_87_a_h_2h:Mg-Ni-O,13.0,AB4C8_tI26_87_a_h_2h:Mg-Ni-O +mp-756552,Mg(NiO2)4,-6.1330648477,-1.1873466585,0.0366137209,0.0366137209,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Mg-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_b2d_c2h:Mg-Ni-O, expected Mg(NiO2)7 to be Mg(NiO2)4" +mp-2218895,Mg(NiO2)4,-6.0900395746,-1.1443213854,0.079638994,0.079638994,GGA+U,R-3m,AB4C8_hR39_166_b_ad_ch:Mg-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_a2d_2c2h:Mg-Ni-O, expected MgNi7O16 to be Mg(NiO2)4" +mp-1099253,Mg3NiO4,-6.4021176313,-2.6061511719,0.0,-0.0081492687,GGA+U,Pm-3m,A3BC4_cP8_221_c_a_bd:Mg-Ni-O,16.0,A3BC4_cP8_221_c_a_bd:Mg-Ni-O +mp-1394225,MgNi2O5,-5.8461812469000005,-1.1094316261,0.2684756854,0.2684756854,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Mg-Ni-O,16.0,AB2C5_oP16_59_a_e_b2e:Mg-Ni-O +mp-1043269,MgNi2O5,-5.7643239281,-1.0275743073,0.3503330041,0.3503330041,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Mg-Ni-O,16.0,AB2C5_oC32_63_c_f_c2f:Mg-Ni-O +mp-1404822,MgNiO2,-6.2170935356,-1.8986449975,0.2450295994,0.2450295994,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Mg-Ni-O, expected Mg2Ni3O7 to be MgNiO2" +mp-1405211,MgNiO2,-6.162024975,-1.8435764369,0.30009816,0.30009816,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Mg-Ni-O, expected Mg2Ni3O7 to be MgNiO2" +mp-1046084,MgNiO2,-6.1979822369,-1.8795336987,0.2641408981,0.2641408981,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Mg-Ni-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Mg-Ni-O, expected Mg2Ni3O7 to be MgNiO2" +mp-2221118,MgNiO2,-6.159920385,-1.8414718469,0.30220275,0.30220275,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Mg-Ni-O,4.0,ABC2_hR12_160_a_a_2a:Mg-Ni-O +mp-1221953,MgNiO2,-6.460412045,-2.1419635069,0.00171109,0.00171109,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Mg-Ni-O,8.0,ABC2_hR12_166_a_b_c:Mg-Ni-O +mp-1343548,MgNi4O9,-5.6912403868,-0.7454528746,0.3910817634,0.3910817634,GGA+U,P1,AB4C9_aP28_1_2a_8a_18a:Mg-Ni-O,28.0,AB4C9_aP28_1_2a_8a_18a:Mg-Ni-O +mp-1394172,Mg2Ni2O5,-6.0310169539,-1.6427639521,0.263712775,0.263712775,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Mg-Ni-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Mg-Ni-O, expected MgNiO6 to be Mg2Ni2O5" +mp-1222197,Mg2Ta2Ni2O9,-8.2629085163,-2.7298027082000003,0.0114510974,0.0114510974,GGA+U,P-3c1,A2B2C9D2_hP30_165_d_d_fg_c:Mg-Ni-O-Ta,30.0,A2B2C9D2_hP30_165_d_d_fg_c:Mg-Ni-O-Ta +mp-1042577,Mg(NiO2)2,-6.106133395,-1.3993750729,0.1753761402,0.1753761402,GGA+U,P-1,AB2C4_aP14_2_i_2i_4i:Mg-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_3i_7i:Mg-Ni-O, expected MgNi3O7 to be Mg(NiO2)2" +mp-1331343,Mg(NiO2)2,-6.1984313946,-1.4916730725,0.0830781406,0.0830781406,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Mg-Ni-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Mg-Ni-O, expected Mg4Ni11O24 to be Mg(NiO2)2" +mp-1041166,Mg(NiO2)2,-6.2405084848,-1.5337501626,0.0410010505,0.0410010505,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Mg-Ni-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a5b_12a12b:Mg-Ni-O, expected Mg3(Ni4O9)2 to be Mg(NiO2)2" +mp-755557,Mg(NiO2)2,-6.2751889021,-1.56843058,0.0063206331,0.0063206331,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Mg-Ni-O,14.0,AB2C4_tI28_141_a_d_h:Mg-Ni-O +mp-1386995,Mg(NiO2)2,-6.2663524829,-1.5595941607,0.0151570524,0.0151570524,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Mg-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i3j:Mg-Ni-O, expected Mg(NiO5)2 to be Mg(NiO2)2" +mp-1409205,Mg(NiO2)2,-6.1054377264,-1.3986794043000002,0.1760718088,0.1760718088,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Mg-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Mg-Ni-O, expected MgNi3O7 to be Mg(NiO2)2" +mp-1042090,Mg(NiO2)2,-6.219831315,-1.5130729929,0.0616782202,0.0616782202,GGA+U,Pbcm,AB2C4_oP28_57_d_e_cde:Mg-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_57_d_e_3c3d5e:Mg-Ni-O, expected Mg(NiO8)2 to be Mg(NiO2)2" +mp-1373242,Mg(NiO2)2,-6.2045162736,-1.4977579514,0.0769932617,0.0769932617,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Mg-Ni-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Mg-Ni-O +mp-1343472,Mg(NiO2)2,-6.2118973054,-1.5051389832000002,0.0696122299,0.0696122299,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Ni-O,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Ni-O +mp-1047668,Mg(NiO2)2,-6.2163037843,-1.5095454621000002,0.065205751,0.065205751,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Mg-Ni-O,14.0,AB2C4_oC28_63_c_f_acf:Mg-Ni-O +mp-1041911,Mg(NiO2)2,-6.1687091214,-1.4619507993,0.1128004138,0.1128004138,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Mg-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Mg-Ni-O, expected Mg(NiO5)2 to be Mg(NiO2)2" +mp-1442875,Mg(NiO2)2,-6.2740930371,-1.567334715,0.0074164981,0.0074164981,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Mg-Ni-O,14.0,AB2C4_tI28_88_a_d_f:Mg-Ni-O +mp-1041000,Mg(NiO2)2,-6.247935884,-1.5411775619,0.0335736512,0.0335736512,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Mg-Ni-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b8d_2a2b2c16d:Mg-Ni-O, expected Mg2(NiO2)9 to be Mg(NiO2)2" +mp-2225848,Mg(NiO2)2,-5.9574237214,-1.2506653993,0.3240858138,0.3240858138,GGA+U,P3m1,AB2C4_hP7_156_a_2b_2a2c:Mg-Ni-O,7.0,AB2C4_aP7_1_a_2a_4a:Mg-Ni-O +mp-1040809,Mg(NiO2)2,-6.2311545307,-1.5243962086,0.0503550045,0.0503550045,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Mg-Ni-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Mg-Ni-O +mp-2224448,Mg(NiO2)2,-5.9908889429,-1.2841306207,0.2906205924,0.2906205924,GGA+U,P-3m1,AB2C4_hP7_164_a_c_2d:Mg-Ni-O,7.0,"Invalid WP multiplicities - AB2C4_hP7_164_a_c_4d:Mg-Ni-O, expected Mg(NiO4)2 to be Mg(NiO2)2" +mp-1311784,Mg(NiO2)2,-6.2634629579,-1.5567046357,0.0180465774,0.0180465774,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Mg-Ni-O +mp-1043361,Mg(Ni2O3)2,-6.3404925695,-1.3949508389,0.0511435291,0.0511435291,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Mg-Ni-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Mg-Ni-O, expected Mg(Ni2O)6 to be Mg(Ni2O3)2" +mp-1045897,Mg2Ni9O13,-6.3539319983,-1.3735676872,0.0535789373,0.0535789373,GGA+U,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Mg-Ni-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Mg-Ni-O +mp-1046134,Mg2Ta2NiO8,-8.516936935,-2.9577244942,0.017765059,0.017765059,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Mg-Ni-O-Ta,52.0,A2BC8D2_mC52_15_f_e_4f_f:Mg-Ni-O-Ta +mp-1233216,MgNi9O13,-6.1696707374,-1.042346241,0.1807864125,0.1807864125,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O +mp-1233429,MgNi9O13,-6.1245814922,-0.9972569958,0.2258756577,0.2258756577,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O +mp-1233591,MgNi9O13,-6.2273433243,-1.100018828,0.1231138256,0.1231138256,GGA+U,Cm,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O,23.0,AB9C13_mC46_8_a_9a_13a:Mg-Ni-O +mp-1227457,CCl3,-4.162581355,-0.4690124869,0.1331301513,0.1331301513,GGA,Fmm2,AB3_oF32_42_c_2ae:C-Cl,8.0,"Invalid WP multiplicities - AB3_oF32_42_c_2a2e:C-Cl, expected CCl5 to be CCl3" +mp-1214207,CCl3,-4.276994265,-0.5834253969000001,0.0187172413,0.0187172413,GGA,Pnma,AB3_oP32_62_2c_2c2d:C-Cl,32.0,AB3_oP32_62_2c_2c2d:C-Cl +mp-646122,C20Cl3,-8.1003454189,0.1656945737,0.2704150325,0.2704150325,GGA,C2/c,A20B3_mC368_15_40f_6f:C-Cl,184.0,"Invalid WP multiplicities - A20B3_mC368_15_159f_21f:C-Cl, expected C53Cl7 to be C20Cl3" +mp-1195608,C50Cl11,-7.8281975346,0.0696250537,0.2144025186,0.2144025186,GGA,Cc,A50B11_mC488_9_100a_22a:C-Cl,244.0,A50B11_mC488_9_100a_22a:C-Cl +mp-1214217,CCl2,-4.6910944717,-0.3825148675,0.1527230331,0.1527230331,GGA,P2_1/c,AB2_mP36_14_3e_6e:C-Cl,36.0,AB2_mP36_14_3e_6e:C-Cl +mp-1214607,C4Cl5,-5.4265237581,-0.2979298392,0.1481017446,0.1481017446,GGA,Pbca,A4B5_oP144_61_8c_10c:C-Cl,144.0,A4B5_oP144_61_8c_10c:C-Cl +mp-1194090,CsSbC6Cl5,-5.3550373723,0.0018149252,0.8699895279000001,0.8699895279000001,GGA,Pmn2_1,A6B5CD_oP26_31_2a2b_a2b_a_a:C-Cl-Cs-Sb,26.0,A6B5CD_oP26_31_2a2b_a2b_a_a:C-Cl-Cs-Sb +mp-646059,C13Cl3,-7.759157673,0.0857336634,0.2362693229,0.2362693229,GGA,P6_3/m,A13B3_hP192_176_2h12i_3i:C-Cl,192.0,"Invalid WP multiplicities - A13B3_hP192_176_11h132i_24i:C-Cl, expected C275Cl48 to be C13Cl3" +mp-647192,C28Cl5,-7.9459237331,0.1645404211,0.2861853986,0.2861853986,GGA,Cmcm,A28B5_oC264_63_3fg12h_f2h:C-Cl,132.0,"Invalid WP multiplicities - A28B5_oC264_63_12f4g88h_4f12h:C-Cl, expected C48Cl7 to be C28Cl5" +mp-1214278,C13Cl12,-5.9336211032,-0.2474174503,0.1379538382,0.1379538382,GGA,P-1,A13B12_aP50_2_13i_12i:C-Cl,50.0,A13B12_aP50_2_13i_12i:C-Cl +mp-1004532,CCl4,-3.9668479072,-0.6422854808,0.0,-0.1755451632,GGA,C2/c,AB4_mC160_15_4f_16f:C-Cl,80.0,AB4_mC160_15_4f_16f:C-Cl +mp-1196803,C16Cl,-8.5112774408,0.2832628262,0.3304896998,0.3304896998,GGA,Pnma,A16B_oP272_62_6c29d_2cd:C-Cl,272.0,A16B_oP272_62_6c29d_2cd:C-Cl +mp-1214283,C5Cl4,-6.1846002225,-0.2359919889,0.1208332782,0.1208332782,GGA,P2_1/c,A5B4_mP72_14_10e_8e:C-Cl,72.0,A5B4_mP72_14_10e_8e:C-Cl +mp-1214386,C7Cl5,-6.3500437397,-0.1964319274,0.1380917605,0.1380917605,GGA,Pbcn,A7B5_oP96_60_7d_5d:C-Cl,96.0,A7B5_oP96_60_7d_5d:C-Cl +mp-1214421,C8Cl5,-6.568045227,-0.1778908239,0.1309002726,0.1309002726,GGA,P2_1/c,A8B5_mP104_14_16e_10e:C-Cl,104.0,A8B5_mP104_14_16e_10e:C-Cl +mp-1214295,CCl,-5.7538487355,-0.2152476592,0.1861807662,0.1861807662,GGA,P-1,AB_aP64_2_16i_16i:C-Cl,64.0,AB_aP64_2_16i_16i:C-Cl +mp-1214294,C7Cl8,-5.6014346818,-0.3088379,0.1193524205,0.1193524205,GGA,P2_1/c,A7B8_mP60_14_7e_8e:C-Cl,60.0,A7B8_mP60_14_7e_8e:C-Cl +mp-1196206,C9Cl,-8.3369800516,0.1536725576,0.2339582427,0.2339582427,GGA,P-1,A9B_aP240_2_108i_12i:C-Cl,240.0,A9B_aP240_2_108i_12i:C-Cl +mp-5704,Tl3AsS4,-4.0837720488,-0.5471661347,0.0,-0.0223133416,GGA,Pnma,AB4C3_oP32_62_c_2cd_cd:As-S-Tl,32.0,AB4C3_oP32_62_c_2cd_cd:As-S-Tl +mp-9622,Tl4SnS3,-3.7589393509,-0.5252525957,0.0338150804,0.0338150804,GGA,P4/ncc,A3BC4_tP32_130_cf_c_g:S-Sn-Tl,32.0,"Invalid WP multiplicities - A3BC4_tP32_130_2c2f_c_g:S-Sn-Tl, expected Tl4SnS6 to be Tl4SnS3" +mp-694158,Tl4Sn5S12,-2.6760831374,1.0922897323,1.7684952965,1.7684952965,GGA,P-1,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl,42.0,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl +mp-29303,Tl4Sn5S12,-4.4320952245,-0.6637223548,0.0124832094,0.0124832094,GGA,P-1,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl,42.0,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl +mp-1346536,Tl4Sn5S12,-3.7775183879,-0.0091455181,0.6670600461,0.6670600461,GGA,P-1,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl,42.0,A12B5C4_aP42_2_12i_5i_4i:S-Sn-Tl +mp-28442,TlAs5S8,-4.6443488582,-0.4479321363,0.0064313791,0.0064313791,GGA,P2_1/c,A5B8C_mP56_14_5e_8e_e:As-S-Tl,56.0,A5B8C_mP56_14_5e_8e_e:As-S-Tl +mp-559356,Tl3AsS3,-3.9850311077,-0.5341171869,0.0,-0.0196900577,GGA,Pbca,AB3C3_oP56_61_c_3c_3c:As-S-Tl,56.0,"Invalid WP multiplicities - AB3C3_oP56_61_c_16c_14c:As-S-Tl, expected Tl14AsS16 to be Tl3AsS3" +mp-9791,Tl3AsS3,-3.9754190871,-0.5245051663,0.0096120205,-0.0100780372,GGA,R3m,AB3C3_hR21_160_a_b_b:As-S-Tl,7.0,AB3C3_hR21_160_a_b_b:As-S-Tl +mp-4988,TlAsS2,-4.3404240719,-0.5167587505,0.0,-0.0235777355,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:As-S-Tl,32.0,"Invalid WP multiplicities - AB2C_mP32_14_3e_6e_2e:As-S-Tl, expected Tl2(AsS2)3 to be TlAsS2" +mp-28011,Tl2Sn2S3,-4.2138568164,-0.6204597301,0.0,-0.007504024,GGA,C2/c,A3B2C2_mC28_15_ef_f_f:S-Sn-Tl,14.0,A3B2C2_mC28_15_ef_f_f:S-Sn-Tl +mp-6023,Tl2Sn(AsS3)2,-4.4761681927,-0.5787323600000001,0.0,-0.0092493932,GGA,P-3,A2B6CD2_hP11_147_d_g_a_d:As-S-Sn-Tl,11.0,A2B6CD2_hP11_147_d_g_a_d:As-S-Sn-Tl +mp-5818,Tl4SnS4,-3.9650322481,-0.6310384804,0.0,-0.0403259502,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:S-Sn-Tl,36.0,A4BC4_mP36_14_4e_e_4e:S-Sn-Tl +mp-7499,Tl2Sn2S5,-4.3841822417,-0.6701067597,0.000452919,0.000452919,GGA,C2/c,A5B2C2_mC36_15_e2f_f_f:S-Sn-Tl,18.0,A5B2C2_mC36_15_e2f_f_f:S-Sn-Tl +mp-542623,Tl2SnS3,-4.1512968158,-0.627262191,0.0235368885,0.0235368885,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:S-Sn-Tl,12.0,A3BC2_mC24_12_3i_i_2i:S-Sn-Tl +mp-1220980,NaNd(MoO4)2,-8.1233343433,-2.510377457,0.0,-0.0297544475,GGA+U,I-4,A2BCD8_tI24_82_ac_b_d_2g:Mo-Na-Nd-O,12.0,"Invalid WP multiplicities - A2BCD8_tI24_82_ac_b_d_3g:Mo-Na-Nd-O, expected NaNd(MoO6)2 to be NaNd(MoO4)2" +mp-752683,MnCd6O8,-5.087354943,-1.4691640402,0.0076630161,0.0076630161,GGA+U,Fm-3m,A6BC8_cF60_225_d_a_ce:Cd-Mn-O,60.0,A6BC8_cF60_225_d_a_ce:Cd-Mn-O +mp-18870,Mn3Cd2O8,-7.0516481477,-1.7512377564,0.0,-0.0743727342,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Cd-Mn-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Cd-Mn-O +mp-1016854,MnCdO3,-6.404873012,-1.4198787748,0.2799069753,0.2799069753,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Cd-Mn-O,5.0,ABC3_cP5_221_a_b_c:Cd-Mn-O +mp-1221716,Mn4CdO5,-8.044005445,-1.8135659965,0.04338766,0.04338766,GGA+U,I4/mmm,AB4C5_tI20_139_a_2e_b2e:Cd-Mn-O,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:Cd-Mn-O, expected Mn6CdO7 to be Mn4CdO5" +mp-1235277,LiMn9CdO10,-8.1265332371,-1.7095409815,0.2104450536,0.2104450536,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O +mp-1235326,LiMn9CdO10,-8.1404738724,-1.7234816168,0.1965044183,0.1965044183,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O +mp-1235597,LiMn9CdO10,-8.1423089333,-1.7253166777,0.1946693574,0.1946693574,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O +mp-1236085,LiMn9CdO10,-8.1325094629,-1.7155172072,0.2044688279,0.2044688279,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Li-Mn-O +mp-1235825,LiMn9CdO10,-8.1481092367,-1.7311169811,0.188869054,0.188869054,GGA+U,Cm,ABC9D10_mC42_8_a_a_a4b_2a4b:Cd-Li-Mn-O,21.0,"Invalid WP multiplicities - ABC9D10_mC42_8_a_a_a8b_2a7b:Cd-Li-Mn-O, expected LiMn17CdO16 to be LiMn9CdO10" +mp-1236385,LiMn9CdO10,-8.1472598271,-1.7302675715,0.1897184636,0.1897184636,GGA+U,Cm,ABC9D10_mC42_8_a_a_a4b_2a4b:Cd-Li-Mn-O,21.0,"Invalid WP multiplicities - ABC9D10_mC42_8_a_a_a8b_2a7b:Cd-Li-Mn-O, expected LiMn17CdO16 to be LiMn9CdO10" +mp-760391,Mn2Cd3O5,-6.169725502,-1.58711116,0.024039523,0.024039523,GGA+U,C2/m,A3B2C5_mC20_12_ai_i_b2i:Cd-Mn-O,20.0,A3B2C5_mC20_12_ai_i_b2i:Cd-Mn-O +mp-18720,Mn2CdO4,-7.4446330914,-1.8683937787,0.0,-0.0392349904,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Cd-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Cd-Mn-O +mp-757244,MnCd9O10,-4.7667509605,-1.4200054483,0.0067930045,0.0067930045,GGA+U,P-1,A9BC10_aP20_2_a4i_c_5i:Cd-Mn-O,80.0,A9BC10_aP20_2_a4i_c_5i:Cd-Mn-O +mp-1221887,Mn2CdO3,-7.4327612908,-1.7515968779,0.0234224542,0.0234224542,GGA+U,Immm,AB2C3_oI12_71_a_e_cf:Cd-Mn-O,12.0,AB2C3_oI12_71_a_e_cf:Cd-Mn-O +mp-752688,MnCdO2,-6.6198904238,-1.6253198051000002,0.0472816212,0.0472816212,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Mn-O,8.0,ABC2_tP4_123_a_d_bc:Cd-Mn-O +mp-1221645,MnCdO2,-6.6522689019,-1.6576982832,0.0149031431,0.0149031431,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cd-Mn-O,16.0,ABC2_hR12_166_a_b_c:Cd-Mn-O +mp-1176452,MnCd4O5,-5.233908614,-1.4752068252,0.013042371,0.013042371,GGA+U,C2/m,A4BC5_mC40_12_ad3i_i_5i:Cd-Mn-O,40.0,A4BC5_mC40_12_ac3i_i_5i:Cd-Mn-O +mp-1221762,MnCd4O5,-5.2379391848,-1.4792373959,0.0090118002,0.0090118002,GGA+U,R-3m,A4BC5_hR30_166_2c_a_b2c:Cd-Mn-O,40.0,A4BC5_hR30_166_2c_a_b2c:Cd-Mn-O +mp-1105404,Mn7CdO12,-8.109485118,-1.888622051,0.0519142169,0.0519142169,GGA+U,R-3,AB7C12_hR60_148_a_bde_2f:Cd-Mn-O,20.0,AB7C12_hR60_148_a_bde_2f:Cd-Mn-O +mp-1105241,Mn7CdO12,-8.110344965,-1.889481898,0.0510543699,0.0510543699,GGA+U,Im-3,AB7C12_cI40_204_a_bc_g:Cd-Mn-O,20.0,AB7C12_cI40_204_a_bc_g:Cd-Mn-O +mp-756679,Mn9CdO10,-8.526940067,-1.8845443419,0.033860058,0.033860058,GGA+U,C2/m,AB9C10_mC40_12_a_d2g2h_i2j:Cd-Mn-O,20.0,"Invalid WP multiplicities - AB9C10_mC40_12_a_c4g4h_i7j:Cd-Mn-O, expected Mn17CdO30 to be Mn9CdO10" +mp-674298,Al22CdO34,-7.7408223451,-3.3283140257,0.0296956925,0.0296956925,GGA,P2_1/m,A22BC34_mP114_11_a7e7f_e_d9e12f:Al-Cd-O,114.0,"Invalid WP multiplicities - A22BC34_mP114_11_2a14e22f_e_2b18e40f:Al-Cd-O, expected Al60CdO100 to be Al22CdO34" +mp-36866,Al2CdO4,-6.85505898,-2.8263737993,0.02420492,0.02420492,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Cd-O,14.0,A2BC4_cF56_227_c_b_e:Al-Cd-O +mp-1235144,LiAl4Cd2O8,-6.3992951493,-2.5119274562,0.3126423558,0.3126423558,GGA,Imm2,A4B2CD8_oI30_44_cd_ab_a_2c2d:Al-Cd-Li-O,15.0,"Invalid WP multiplicities - A4B2CD8_oI30_44_2cd_ab_a_4c2d:Al-Cd-Li-O, expected LiAl6Cd2O12 to be LiAl4Cd2O8" +mp-1235830,LiAl4Cd2O8,-6.4245582647,-2.5371905716,0.2873792405,0.2873792405,GGA,R-3m,A4B2CD8_hR45_166_ad_c_b_ch:Al-Cd-Li-O,15.0,"Invalid WP multiplicities - A4B2CD8_hR45_166_ad_c_b_2c2h:Al-Cd-Li-O, expected LiAl4Cd2O16 to be LiAl4Cd2O8" +mp-1235214,LiAl4Cd2O8,-6.18924537,-2.3018776769,0.5226921352,0.5226921352,GGA,F-43m,A4B2CD8_cF60_216_e_ac_b_2e:Al-Cd-Li-O,15.0,A4B2CD8_cF60_216_e_ac_b_2e:Al-Cd-Li-O +mp-1190488,Al4CdO7,-7.3091183925,-3.0981172209,0.0,-0.0144639492,GGA,C2/c,A4BC7_mC48_15_2f_e_e3f:Al-Cd-O,24.0,A4BC7_mC48_15_2f_e_e3f:Al-Cd-O +mp-2229204,MgTi2(Ga2O5)2,-7.0864890165,-2.4411634114,0.2851619318,0.2851619318,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-Ti +mp-2229128,MgTi2(Ga2O5)2,-7.1677120459,-2.5223864408,0.2039389024,0.2039389024,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-Ti +mp-2224755,MgTi2(Ga2O5)2,-7.1735143835,-2.5281887785,0.1981365647,0.1981365647,GGA,Amm2,A4BC10D2_oC34_38_2c_a_ab4c_ab:Ga-Mg-O-Ti,17.0,A4BC10D2_oC34_38_2c_a_ab4c_ab:Ga-Mg-O-Ti +mp-1021312,Mg6TiGa,-2.5301734344,0.035485108,0.1720373118,0.1720373118,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Ti, expected Mg12TiGa to be Mg6TiGa" +mp-1021318,Mg6TiGa,-2.5348252925,0.0308332499,0.1673854537,0.1673854537,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Ti, expected Mg12TiGa to be Mg6TiGa" +mp-1026424,Mg14TiGa,-2.0649848138,0.0179844824,0.0986894343,0.0986894343,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Ti, expected Mg18TiGa to be Mg14TiGa" +mp-1026387,Mg14TiGa,-2.0599502594,0.0230190368,0.1037239887,0.1037239887,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Ti, expected Mg26TiGa to be Mg14TiGa" +mp-2228465,MgTi(GaO2)4,-6.7070862171000005,-2.3369672281,0.2230379207,0.2230379207,GGA,P-1,A4BC8D_aP14_2_2i_a_4i_c:Ga-Mg-O-Ti,14.0,"Invalid WP multiplicities - A4BC8D_aP14_2_3i_a_6i_c:Ga-Mg-O-Ti, expected MgTi(GaO2)6 to be MgTi(GaO2)4" +mp-2228474,MgTi(GaO2)4,-6.8277399257,-2.4576209367,0.1023842121,0.1023842121,GGA,P-1,A4BC8D_aP14_2_2i_b_4i_c:Ga-Mg-O-Ti,,"Invalid WP multiplicities - A4BC8D_aP14_2_3i_b_6i_c:Ga-Mg-O-Ti, expected MgTi(GaO2)6 to be MgTi(GaO2)4" +mp-2228451,MgTi(GaO2)4,-6.8043697479,-2.4342507588,0.12575439,0.12575439,GGA,Cm,A4BC8D_mC28_8_4a_a_8a_a:Ga-Mg-O-Ti,14.0,A4BC8D_mC28_8_4a_a_8a_a:Ga-Mg-O-Ti +mp-2228577,MgTi(GaO2)4,-6.7259667593,-2.3558477702,0.2041573786,0.2041573786,GGA,Cm,A4BC8D_mC28_8_4a_a_8a_a:Ga-Mg-O-Ti,14.0,A4BC8D_mC28_8_4a_a_8a_a:Ga-Mg-O-Ti +mp-1223244,La2Al3Ge,-4.8691280317,-0.5804997725000001,0.0264555958,0.0264555958,GGA,P-6m2,A3BC2_hP6_187_abc_d_i:Al-Ge-La,6.0,A3BC2_hP6_187_abc_d_i:Al-Ge-La +mp-1211910,LaAlGe2O7,-7.6578841189,-2.8802059712,0.0,-0.010018204,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Al-Ge-La-O,44.0,AB2CD7_mP44_14_e_2e_e_7e:Al-Ge-La-O +mp-1223261,La2AlGe3,-5.26406461,-0.6829523425,0.0265120909,0.0265120909,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Al-Ge-La,6.0,AB3C2_oI12_44_a_a2b_ab:Al-Ge-La +mp-11511,LaAlGe,-5.147742305,-0.7128720417000001,0.0,-0.0799028594,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Ge-La,6.0,ABC_tI12_109_a_a_a:Al-Ge-La +mp-1079988,La2Al2Ge,-5.035704337,-0.6384655920000001,0.0028690055,0.0028690055,GGA,Cmcm,A2BC2_oC20_63_2c_c_2c:Al-Ge-La,10.0,A2BC2_oC20_63_2c_c_2c:Al-Ge-La +mp-669456,La2Al3Ge4,-4.9220564567,-0.5219616656,0.0,-0.0084892113,GGA,Cmce,A3B4C2_oC36_64_ae_ef_f:Al-Ge-La,18.0,"Invalid WP multiplicities - A3B4C2_oC36_64_2a3e_2e2f_f:Al-Ge-La, expected La(AlGe)4 to be La2Al3Ge4" +mp-10580,La(AlGe)2,-4.81182057,-0.477177675,0.0,-0.007412176,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-La,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-La +mp-1223252,La2AlGe,-5.2149556775,-0.6548012037000001,0.0,-0.0127212783,GGA,Amm2,ABC2_oC8_38_a_b_ab:Al-Ge-La,4.0,ABC2_oC8_38_a_b_ab:Al-Ge-La +mp-1210942,Mn3Fe2SiC,-8.6018402475,-0.1618299877,0.0544546825,0.0544546825,GGA,Cmc2_1,AB2C3D_oC56_36_2a_2b_2a2b_b:C-Fe-Mn-Si,28.0,AB2C3D_oC56_36_2a_2b_2a2b_b:C-Fe-Mn-Si +mp-1222053,Mn5Fe5(SiC)2,-8.5433795829,-0.1527974718,0.0591669843,0.0591669843,GGA,Cmc2_1,A2B5C5D2_oC56_36_2a_a2b_a2b_b:C-Fe-Mn-Si,28.0,A2B5C5D2_oC56_36_2a_a2b_a2b_b:C-Fe-Mn-Si +mp-1221861,Mn4FeC2,-9.1075172843,-0.0253153752,0.0424660572,0.0424660572,GGA,C2,A2BC4_mC28_5_2c_c_ab3c:C-Fe-Mn,14.0,A2BC4_mC28_5_2c_c_ab3c:C-Fe-Mn +mp-1221888,Mn3Fe9C4,-8.7413769088,0.0480542623,0.0702950448,0.0702950448,GGA,P1,A4B9C3_aP16_1_4a_9a_3a:C-Fe-Mn,16.0,A4B9C3_aP16_1_4a_9a_3a:C-Fe-Mn +mp-1221847,Mn5Fe5C4,-8.9216013264,0.0123161365,0.0546795318,0.0546795318,GGA,P1,A4B5C5_aP14_1_4a_5a_5a:C-Fe-Mn,14.0,A4B5C5_aP14_1_4a_5a_5a:C-Fe-Mn +mp-1095338,BaUTe4,-5.5326794483,-1.2354113611,0.0,-0.0036645983,GGA,C2/m,AB4C_mC24_12_i_2ij_i:Ba-Te-U,12.0,AB4C_mC24_12_i_2ij_i:Ba-Te-U +mp-1105536,BaU2Te5,-6.2481841681,-1.2208936148,0.0,-0.0007562719,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Ba-Te-U,16.0,AB5C2_tI32_140_a_cl_h:Ba-Te-U +mp-1195734,Ba2UCrTe7,-5.31462535,-1.0613936579,0.1067883891,0.1067883891,GGA,Pnma,A2BC7D_oP44_62_2c_a_3c2d_c:Ba-Cr-Te-U,44.0,A2BC7D_oP44_62_2c_a_3c2d_c:Ba-Cr-Te-U +mp-1194611,BaUTe6,-5.0531911987,-1.04441366,0.0,-0.0116177584,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Ba-Te-U,32.0,AB6C_mP32_14_e_6e_e:Ba-Te-U +mp-1209229,RbHoBeF6,-6.205434115,-3.8975197136,0.0,-0.0334590848,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Ho-Rb,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Ho-Rb +mp-1213957,CaZrTlF7,-6.3684247635,-3.7387951206,0.0,-0.0274702018,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_a_c:Ca-F-Tl-Zr,20.0,AB7CD_oC40_63_c_cf2g_a_c:Ca-F-Tl-Zr +mp-30997,ZrTlF5,-6.4154492168,-3.4914865576,0.0,-0.0706160368,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Tl-Zr,28.0,A5BC_mP28_14_5e_e_e:F-Tl-Zr +mp-1203446,Ca5Zr3F22,-6.7261828645,-4.135394912,0.0268788995,0.0268788995,GGA,P2_12_12,A5B22C3_oP60_18_a2bc_11c_ac:Ca-F-Zr,60.0,A5B22C3_oP60_18_a2bc_11c_ac:Ca-F-Zr +mp-1097061,CaTlF3,-5.32372567,-3.3031896842,0.0181023395,0.0181023395,GGA,Cm,AB3C_mC10_8_a_ab_a:Ca-F-Tl,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ca-F-Tl, expected CaTlF5 to be CaTlF3" +mp-998615,CaTlF3,-5.330547003,-3.3100110172,0.0112810065,0.0112810065,GGA,R3c,AB3C_hR30_161_a_b_a:Ca-F-Tl,10.0,AB3C_hR30_161_a_b_a:Ca-F-Tl +mp-1025456,CaZrF6,-6.89954378,-4.1467719906,0.0,-0.044601966,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ca-F-Zr,8.0,AB6C_cF32_225_a_e_b:Ca-F-Zr +mp-530524,Zr3TlF15,-6.5858253133,-3.6027763896,0.0,-0.000755627,GGA,P1,A15BC3_aP76_1_60a_4a_12a:F-Tl-Zr,76.0,A15BC3_aP76_1_60a_4a_12a:F-Tl-Zr +mp-1112001,K2AgAsBr6,-3.211124505,-1.3080602768,0.0258487585,0.0258487585,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Br-K +mp-7642,K2AgAs,-2.8280287525,-0.3999106769,0.0,-0.0495921683,GGA,Cmcm,ABC2_oC16_63_a_c_g:Ag-As-K,8.0,ABC2_oC16_63_a_c_g:Ag-As-K +mp-14206,K3Ag3As2,-3.007964275,-0.3645765674,0.0,-0.0510665155,GGA,R-3m,A3B2C3_hR24_166_d_c_ac:Ag-As-K,8.0,A3B2C3_hR24_166_d_c_ac:Ag-As-K +mp-998568,KAgBr3,-2.951183814,-1.2307758259,0.004718187,-0.0687738695,GGA,P4mm,AB3C_tP5_99_a_ac_b:Ag-Br-K,5.0,"Invalid WP multiplicities - AB3C_tP5_99_a_a2c_b:Ag-Br-K, expected KAgBr5 to be KAgBr3" +mp-998553,KAgBr3,-2.955902001,-1.2354940129,0.0,-0.0734920565,GGA,R3c,AB3C_hR30_161_a_b_a:Ag-Br-K,10.0,AB3C_hR30_161_a_b_a:Ag-Br-K +mp-989551,LiTl2InF6,-4.682393616,-2.5969169465,0.0,-0.0349946,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Tl +mp-1207302,CsPdF3,-4.464114032,-2.1021698151,0.073591718,0.073591718,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Pd,5.0,AB3C_cP5_221_a_c_b:Cs-F-Pd +mp-8202,CsRb2PdF5,-4.4717134728,-2.5168526767,0.0,-0.0158708644,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Cs-F-Pd-Rb,18.0,AB5CD2_tP18_127_b_ak_c_g:Cs-F-Pd-Rb +mp-1111455,CsRb2PdF6,-4.365294887,-2.4147722738,0.0898779455,0.0898779455,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Pd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Pd-Rb +mp-1113156,Cs3PdF6,-4.388375321,-2.4548790479,0.0434556267,0.0434556267,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Pd,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Pd +mp-1213701,Cs3PdF5,-4.4385993172,-2.5026566768,0.0,-0.0305295872,GGA,P4/mbm,A3B5C_tP18_127_bg_ak_c:Cs-F-Pd,18.0,A3B5C_tP18_127_bg_ak_c:Cs-F-Pd +mp-504729,Cs2PdF6,-4.4663528544,-2.4175128145,0.0,-0.3214108067,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Pd,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Pd +mp-1206231,Cs2RbPdF6,-4.433478491,-2.4914690478,0.0132551707,0.0132551707,GGA,I4/mmm,A2B6CD_tI20_139_d_eh_a_b:Cs-F-Pd-Rb,10.0,A2B6CD_tI20_139_d_eh_a_b:Cs-F-Pd-Rb +mp-1205550,Cs2RbPdF6,-4.420948377,-2.4789389338,0.0257852847,0.0257852847,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pd-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pd-Rb +mp-5972,CsPd2F5,-4.4985885013,-1.8970183976,0.0,-0.0114294683,GGA,Imma,AB5C2_oI32_74_e_ej_ac:Cs-F-Pd,16.0,"Invalid WP multiplicities - AB5C2_oI32_74_e_e2j_ac:Cs-F-Pd, expected CsPd2F9 to be CsPd2F5" +mp-1096798,ScAgO2,-7.2837101525,-2.5191095198,0.1082717063,0.082942643,GGA,R3m,AB2C_hR12_160_a_2a_a:Ag-O-Sc,4.0,AB2C_hR12_160_a_2a_a:Ag-O-Sc +mp-973185,ScAgO2,-7.3919734825,-2.6273728498,8.3762e-06,-0.025320687,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-O-Sc,4.0,AB2C_hR12_166_a_c_b:Ag-O-Sc +mp-11022,ScAgO2,-7.3919818587,-2.627381226,0.0,-0.0253290633,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-O-Sc,8.0,AB2C_hP8_194_c_f_a:Ag-O-Sc +mp-1235826,LiSc2(AgO2)2,-6.9280041611000005,-2.480701058,0.1738049493,0.1738049493,GGA,Cm,A2BC4D2_mC18_8_2a_a_4a_2a:Ag-Li-O-Sc,9.0,A2BC4D2_mC18_8_2a_a_4a_2a:Ag-Li-O-Sc +mp-1235223,LiSc2(AgO2)2,-6.9290511778,-2.4817480746,0.1727579326,0.1727579326,GGA,P3m1,A2BC4D2_hP9_156_ab_a_2a2b_2c:Ag-Li-O-Sc,9.0,A2BC4D2_hP9_156_ab_a_2a2b_2c:Ag-Li-O-Sc +mp-1236728,LiSc2(AgO2)2,-6.8939164044000005,-2.4466133013,0.2078927059,0.2078927059,GGA,P3m1,A2BC4D2_hP9_156_ab_c_2a2b_2c:Ag-Li-O-Sc,9.0,A2BC4D2_hP9_156_ab_c_2a2b_2c:Ag-Li-O-Sc +mp-1097460,LiScAg2,-2.04178962,1.4348363746,1.6935061805,1.6935061805,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Li-Sc,4.0,A2BC_oI8_71_e_a_b:Ag-Li-Sc +mp-776150,ScAgO3,-6.914838808,-2.1138205596,0.0606846089,0.0606846089,GGA,Cmmm,AB3C_oC20_65_ab_hp_f:Ag-O-Sc,10.0,"Invalid WP multiplicities - AB3C_oC20_65_ab_h2p_f:Ag-O-Sc, expected ScAgO5 to be ScAgO3" +mp-865734,Li5(Cu2P3)2,-4.341603126,-0.4468527224,0.0,-0.0269073548,GGA,Immm,A4B5C6_oI30_71_m_aej_fm:Cu-Li-P,15.0,"Invalid WP multiplicities - A4B5C6_oI30_71_m_a2ej_f2m:Cu-Li-P, expected Li7(Cu2P5)2 to be Li5(Cu2P3)2" +mp-675589,Li2CuP,-3.8771682788,-0.5445795512,0.0197228325,-0.0406019113,GGA,P-3m1,AB2C_hP8_164_c_2d_d:Cu-Li-P,8.0,AB2C_hP8_194_b_f_c:Cu-Li-P +mp-12029,Li2CuP,-3.8968911112,-0.5643023837,0.0,-0.0603247438,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Cu-Li-P,8.0,AB2C_hP8_194_b_f_c:Cu-Li-P +mp-22716,LiCu2P,-4.1600982625,-0.2799385842,0.0408541396,0.0408541396,GGA,P-3m1,A2BC_hP8_164_cd_d_d:Cu-Li-P,8.0,A2BC_hP8_164_cd_d_d:Cu-Li-P +mp-7298,Li(CuP)2,-4.505248874,-0.31846063,0.0,-0.0234259118,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Li-P,5.0,A2BC2_tI10_139_d_a_e:Cu-Li-P +mp-1024988,LiYb(CuP)2,-4.4382075517,-0.6926159683,0.0,-0.2269921183,GGA,P-3m1,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Yb,,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Yb +mp-1219012,SmY(Co2Ni3)2,-6.3575040775,-0.1659083685,0.6122413879,0.6122413879,GGA,Pmmm,A4B6CD_oP12_47_ij_ehx_b_c:Co-Ni-Sm-Y,12.0,"Invalid WP multiplicities - A4B6CD_oP12_47_2ij_ehx_b_c:Co-Ni-Sm-Y, expected SmY(CoNi)6 to be SmY(Co2Ni3)2" +mp-1219018,SmYCo10,-6.9393739192,-0.0836876526,0.0167765301,0.0167765301,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-Sm-Y,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-Sm-Y, expected SmYCo12 to be SmYCo10" +mp-1219005,SmYCo4,-6.7380020417,-0.1349473036,0.001242235,0.001242235,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Sm-Y,6.0,A4BC_cF24_216_e_a_c:Co-Sm-Y +mp-1218998,SmYNi2,-6.08190097,-0.3955683179,0.7268034746,0.7268034746,GGA,Amm2,A2BC_oC8_38_ab_a_b:Ni-Sm-Y,4.0,A2BC_oC8_38_ab_a_b:Ni-Sm-Y +mp-1219039,SmY(CoNi)2,-6.407951605,-0.2476239053,0.5955775831,0.5955775831,GGA,Imm2,A2B2CD_oI12_44_c_d_a_b:Co-Ni-Sm-Y,6.0,A2B2CD_oI12_44_c_d_a_b:Co-Ni-Sm-Y +mp-1219047,SmYCo17,-7.0327309705,-0.0839699304,0.0,-0.0024963855,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Co-Sm-Y,19.0,A17BC_hR57_160_2a3bc_a_a:Co-Sm-Y +mp-1195622,Rb2Th(AsO4)2,-7.0042469604,-2.5221951992,0.0,-0.3088802238,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:As-O-Rb-Th,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:As-O-Rb-Th +mp-1207154,Tb2CoGe6,-5.3821725622,-0.4804817706,0.0296461544,0.0296461544,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Tb,9.0,AB6C2_oC18_38_a_4a2b_2b:Co-Ge-Tb +mp-21144,TbCoGe,-6.1065376783,-0.6513004283,0.0,-0.0207572558,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-Tb,12.0,ABC_oP12_62_c_c_c:Co-Ge-Tb +mp-1102473,U2Co3Ge,-8.4582058475,-0.3697389708,0.0,-0.0717560304,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Ge-U,12.0,A3BC2_hP12_194_h_a_f:Co-Ge-U +mp-22643,Tb3(CoGe2)2,-5.8988564311000005,-0.7197625078000001,0.0113086756,0.0113086756,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Co-Ge-Tb,9.0,"Invalid WP multiplicities - A2B4C3_mC18_12_i_3i_ai:Co-Ge-Tb, expected Tb3(CoGe3)2 to be Tb3(CoGe2)2" +mp-20671,UCoGe,-8.010122205,-0.3358703183,0.0094385879,0.0094385879,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ge-U,12.0,ABC_oP12_62_c_c_c:Co-Ge-U +mp-1072004,UCoGe,-7.9636497967,-0.28939791,0.0559109962,0.0559109962,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Co-Ge-U,6.0,ABC_hP6_194_c_d_a:Co-Ge-U +mp-1198511,Tb3Co4Ge13,-5.5379616277,-0.416175048,0.0105719054,0.0105719054,GGA,Pm-3n,A4B13C3_cP40_223_e_ak_c:Co-Ge-Tb,40.0,A4B13C3_cP40_223_e_ak_c:Co-Ge-Tb +mp-3709,Tb(CoGe)2,-6.235259938,-0.615848458,0.0,-0.091606973,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Tb,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Tb +mp-1217742,Tb3U(CoGe)8,-6.4767556175,-0.524491942,0.0502147742,0.0502147742,GGA,P4/mmm,A8B8C3D_tP20_123_2i_2g2h_ah_b:Co-Ge-Tb-U,20.0,"Invalid WP multiplicities - A8B8C3D_tP20_123_5i_3g4h_a2h_b:Co-Ge-Tb-U, expected Tb5U(Co10Ge7)2 to be Tb3U(CoGe)8" +mp-1197772,U2Co15Ge2,-7.3343846921,-0.0473508682,0.0930734917,0.0930734917,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Co-Ge-U,38.0,A15B2C2_hP38_194_gjk_f_bc:Co-Ge-U +mp-1079975,U(CoGe)2,-7.304313209,-0.353492947,0.0,-0.0318440779,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Co-Ge-U,10.0,A2B2C_tP10_129_ac_bc_c:Co-Ge-U +mp-20776,U(CoGe)2,-7.26197408,-0.311153818,0.042339129,0.0104950511,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-U,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-U +mp-1217656,TbU3(CoGe)8,-7.110391299,-0.4924232325,0.0,-0.0733414078,GGA,P4/mmm,A8B8CD3_tP20_123_2i_2g2h_a_bh:Co-Ge-Tb-U,20.0,"Invalid WP multiplicities - A8B8CD3_tP20_123_5i_3g4h_a_b2h:Co-Ge-Tb-U, expected TbU5(Co10Ge7)2 to be TbU3(CoGe)8" +mp-22629,Tb2CoGe2,-5.724201213,-0.5995800720000001,0.141240021,0.141240021,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Tb,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_3i_3i:Co-Ge-Tb, expected Tb3CoGe3 to be Tb2CoGe2" +mp-1205305,Tb2CoGe2,-5.864872464,-0.7402513230000001,0.00056877,0.00056877,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ge-Tb,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ge-Tb +mp-1188989,Tb3Co2Ge3,-5.955276695,-0.7066745131000001,0.0005757056,0.0005757056,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Ge-Tb,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Ge-Tb +mp-1079936,TbCoGe2,-5.893838705,-0.6466538038,0.0,-0.0074140979,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Ge-Tb,8.0,AB2C_oC16_63_c_2c_c:Co-Ge-Tb +mp-20447,U3Co2Ge7,-7.0326354608,-0.3282970771,0.0087786337,0.0087786337,GGA,Cmmm,A2B7C3_oC24_65_g_c2gh_ah:Co-Ge-U,12.0,"Invalid WP multiplicities - A2B7C3_oC24_65_g_c3gh_ah:Co-Ge-U, expected U3Co2Ge9 to be U3Co2Ge7" +mp-1104200,Tb(CoGe)6,-6.1143639215,-0.3434069985,0.0272597985,0.0272597985,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Tb,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-Tb +mp-20462,U3Co4Ge7,-7.1048938371,-0.3428441089,0.0020004857,0.0020004857,GGA,I4/mmm,A4B7C3_tI28_139_de_aeg_be:Co-Ge-U,14.0,"Invalid WP multiplicities - A4B7C3_tI28_139_de_ae2g_be:Co-Ge-U, expected U3Co4Ge11 to be U3Co4Ge7" +mp-1103983,U(CoGe)6,-6.4988071623,-0.2157699385,0.0539908927,0.0539908927,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-U,13.0,A6B6C_hP13_191_i_cde_a:Co-Ge-U +mp-1217704,Tb2CoGe4,-5.6371875343,-0.6558787607000001,0.0,-0.0067778802,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Tb,,AB4C2_oC14_38_a_2a2b_ab:Co-Ge-Tb +mp-1005831,Tb2Co3Ge5,-5.961854585,-0.590972099,0.0,-0.0233716594,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Tb,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Ge-Tb +mp-1205698,Sr2InReO6,-7.308294779,-2.4827617701,0.1083964809,0.1083964809,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:In-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:In-O-Re-Sr +mp-991201,In6ReO12,-5.7363162416,-1.0881639205,0.9388235247,0.9388235247,GGA,P-1,A6B12C_aP19_2_3i_6i_a:In-O-Re,19.0,"Invalid WP multiplicities - A6B12C_aP19_2_6i_12i_a:In-O-Re, expected In12ReO24 to be In6ReO12" +mp-13192,In6ReO12,-6.6107101847,-1.9625578637,0.0644295816,0.0644295816,GGA,R-3,A6B12C_hR57_148_f_2f_a:In-O-Re,19.0,A6B12C_hR57_148_f_2f_a:In-O-Re +mp-30300,Cs3As5O9,-5.9613295812,-1.8141532551,0.0,-0.0707092056,GGA,P31m,A5B3C9_hP17_157_bc_c_cd:As-Cs-O,17.0,A5B3C9_hP17_157_bc_c_cd:As-Cs-O +mp-1194099,BeAsO5,-5.9967393307,-1.2636000698,0.403845189,0.403845189,GGA,Pca2_1,ABC5_oP28_29_a_a_5a:As-Be-O,28.0,ABC5_oP28_29_a_a_5a:As-Be-O +mp-1102148,CsAsO4,-5.54854444,-1.324998503,0.2534474406,0.2534474406,GGA,I-42d,ABC4_tI24_122_a_b_e:As-Cs-O,12.0,ABC4_tI24_122_a_b_e:As-Cs-O +mp-9113,CsBeAsO4,-6.4505208082,-2.2961367386,0.0,-0.0564710871,GGA,Pna2_1,ABCD4_oP28_33_a_a_a_4a:As-Be-Cs-O,28.0,ABCD4_oP28_33_a_a_a_4a:As-Be-Cs-O +mp-776093,CsAsO3,-5.9730525145,-1.8941351323,0.0,-0.0278290776,GGA,Pbcm,ABC3_oP20_57_d_d_c2d:As-Cs-O,20.0,"Invalid WP multiplicities - ABC3_oP20_57_d_d_c4d:As-Cs-O, expected CsAsO5 to be CsAsO3" +mp-1178465,CsAsO3,-5.872535957,-1.7936185748,0.1005165575,0.0726874799,GGA,P-31m,ABC3_hP10_162_c_e_k:As-Cs-O,10.0,ABC3_hP10_162_c_e_k:As-Cs-O +mp-1183911,CsAsO3,-5.210400732,-1.1314833498,0.7626517825,0.7348227049,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Cs-O,5.0,ABC3_cP5_221_b_a_c:As-Cs-O +mp-1214707,Be2AsO9,-5.6946959921,-0.9731841141,0.5167409452,0.5167409452,GGA,P2_1/c,AB2C9_mP48_14_e_2e_9e:As-Be-O,48.0,AB2C9_mP48_14_e_2e_9e:As-Be-O +mp-554229,CsAs3O8,-6.3096587988,-1.772469859,0.0,-0.0723914017,GGA,C2/c,A3BC8_mC48_15_ef_e_4f:As-Cs-O,24.0,"Invalid WP multiplicities - A3BC8_mC48_15_2e2f_e_13f:As-Cs-O, expected Cs(As3O13)2 to be CsAs3O8" +mp-755292,Cs2BeO2,-5.1081109365,-2.0233919302,0.0,-0.0685626855,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Be-Cs-O,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_5e_5e:Be-Cs-O, expected Cs5BeO5 to be Cs2BeO2" +mp-754976,Cs2BeO2,-5.056415422,-1.9716964157,0.0516955145,-0.016867171,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Be-Cs-O,5.0,AB2C2_tI10_139_a_e_e:Be-Cs-O +mp-30119,Cs3AsO4,-5.3985703941,-2.0070603483,0.0,-0.3773305999999999,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-Cs-O,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_c2d_5cd:As-Cs-O, expected Cs5AsO7 to be Cs3AsO4" +mp-1112203,K2InHgBr6,-2.883772369,-1.4243391721,0.0936213917,0.0936213917,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Hg-In-K +mp-1195701,TlAgPSe3,-3.9816110762,-0.465571728,0.0,-0.0163827111,GGA,P2_1/c,ABC3D_mP48_14_2e_2e_6e_2e:Ag-P-Se-Tl,48.0,ABC3D_mP48_14_2e_2e_6e_2e:Ag-P-Se-Tl +mp-1215133,Ba5GaRu2O11,-6.9843047262,-2.4798125353,0.0,-0.001148674,GGA,Pnma,A5BC11D2_oP76_62_5c_c_5c3d_2c:Ba-Ga-O-Ru,76.0,A5BC11D2_oP76_62_5c_c_5c3d_2c:Ba-Ga-O-Ru +mp-1229333,Ba20Ga5Ru7O44,-6.9338376418,-2.5115336946,0.0,-0.0090712444,GGA,Pm,A20B5C44D7_mP76_6_10a10b_2a3b_10a10b12c_4a3b:Ba-Ga-O-Ru,76.0,"Invalid WP multiplicities - A20B5C44D7_mP76_6_10a10b_2a3b_10a10b24c_4a3b:Ba-Ga-O-Ru, expected Ba20Ga5Ru7O68 to be Ba20Ga5Ru7O44" +mp-1214558,Ba6Tm2Ga4O15,-6.9702599654,-3.0155105118,0.0,-0.0239289908,GGA,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Tm,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Tm +mp-653561,Tl2GePbS4,-4.40428076,-0.7034356743,0.0,-0.0071222237,GGA,P2_1/c,ABC4D2_mP32_14_e_e_4e_2e:Ge-Pb-S-Tl,32.0,"Invalid WP multiplicities - ABC4D2_mP32_14_e_e_14e_4e:Ge-Pb-S-Tl, expected Tl4GePbS14 to be Tl2GePbS4" +mp-7277,Tl2GeS3,-4.29318715,-0.6669098585000001,0.0,-0.0061050587,GGA,P-1,AB3C2_aP12_2_i_3i_2i:Ge-S-Tl,12.0,"Invalid WP multiplicities - AB3C2_aP12_2_i_4i_2i:Ge-S-Tl, expected Tl2GeS4 to be Tl2GeS3" +mp-3075,TlGeS2,-4.4579204231,-0.6432777393,0.0,-0.0083620561,GGA,Pnma,AB2C_oP32_62_2c_2cd_2c:Ge-S-Tl,32.0,"Invalid WP multiplicities - AB2C_oP32_62_3c_3cd_2c:Ge-S-Tl, expected Tl2Ge3S5 to be TlGeS2" +mp-12307,Tl2Ge2S5,-4.5345314575,-0.68413242,0.0,-0.0181944048,GGA,C2/c,A2B5C2_mC72_15_2f_2e4f_2f:Ge-S-Tl,36.0,A2B5C2_mC72_15_2f_2e4f_2f:Ge-S-Tl +mp-17207,Tl4GeS4,-4.039632725,-0.6374771795,0.0,-0.0224311736,GGA,Cc,AB4C4_mC36_9_a_4a_4a:Ge-S-Tl,18.0,AB4C4_mC36_9_a_4a_4a:Ge-S-Tl +mp-1047130,Zn2NiIrO6,-6.0191368315,-1.3373177968,0.0168860655,0.0168860655,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Ni-O-Zn,40.0,ABC6D2_mP20_14_a_d_3e_e:Ir-Ni-O-Zn +mp-971836,Zn2NiIr,-4.5013193275,-0.2168048075,0.0076834925,0.0076834925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Zn,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Zn +mp-27618,Na8Ga2O7,-4.8910877344,-1.8756044773,0.0,-0.0126122692,GGA,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Ga-Na-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_2e_10e_12e:Ga-Na-O, expected Na5GaO6 to be Na8Ga2O7" +mp-1200040,NaGa11O18,-6.2582209265,-2.1358216484,0.0519275391,0.0519275391,GGA,P2_1/m,A11BC18_mP60_11_3e4f_e_6e6f:Ga-Na-O,60.0,A11BC18_mP60_11_3e4f_e_6e6f:Ga-Na-O +mp-7656,Na5GaO4,-4.7578564195,-1.815108686,0.0,-0.0050009143,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Ga-Na-O,80.0,AB5C4_oP80_61_c_5c_4c:Ga-Na-O +mp-1202879,NaGa(SeO3)2,-5.769009536,-1.6667518821,0.0,-0.0220852883,GGA,Pnma,ABC6D2_oP40_62_c_c_2c2d_2c:Ga-Na-O-Se,40.0,ABC6D2_oP40_62_c_c_2c2d_2c:Ga-Na-O-Se +mp-753022,NaGa5O8,-6.1511215521,-2.148513331,0.1076348795,0.1076348795,GGA,R3m,A5BC8_hR84_160_4a2b_2a_4a4b:Ga-Na-O,28.0,"Invalid WP multiplicities - A5BC8_hR84_160_4a3b_2a_4a10b:Ga-Na-O, expected Na2Ga13O34 to be NaGa5O8" +mp-3338,NaGaO2,-5.7831183081,-2.2221186235,0.0,-0.1617537237,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ga-Na-O,16.0,ABC2_oP16_33_a_a_2a:Ga-Na-O +mp-557154,NaGaO2,-5.7716658972,-2.2106662126,0.0114524109,-0.1503013128,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ga-Na-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_9c_12c_23c:Ga-Na-O, expected Na12Ga9O23 to be NaGaO2" +mp-685217,Na8Ga42O67,-6.1932527078,-2.1830956228,0.07363429,0.07363429,GGA,P1,A42B8C67_aP117_1_42a_8a_67a:Ga-Na-O,117.0,A42B8C67_aP117_1_42a_8a_67a:Ga-Na-O +mp-762052,Na2Ga11O17,-6.1992368428,-2.197643012,0.0341930981,0.0341930981,GGA,P2_1/m,A11B2C17_mP60_11_a5f_2e_e8f:Ga-Na-O,60.0,"Invalid WP multiplicities - A11B2C17_mP60_11_a12f_3e_2e17f:Ga-Na-O, expected Na3Ga25O36 to be Na2Ga11O17" +mp-16984,Sr3MgRhO6,-6.6163381432,-2.6424108207,0.0,-0.0122752772,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Mg-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Mg-O-Rh-Sr +mp-971712,ZnCdS2,-3.569460695,-0.9555774191,0.0179082152,0.0179082152,GGA,P-4m2,AB2C_tP4_115_a_g_c:Cd-S-Zn,4.0,AB2C_tP4_115_a_g_c:Cd-S-Zn +mp-1215475,ZnCdS2,-3.5535253725,-0.9396420966,0.0338435377,0.0338435377,GGA,P3m1,AB2C_hP4_156_a_ab_b:Cd-S-Zn,4.0,AB2C_hP4_156_a_ab_b:Cd-S-Zn +mp-1215784,Zn4CdS5,-3.665463249,-1.0010518956,0.0262212068,0.0262212068,GGA,P3m1,AB5C4_hP20_156_2a_5a5b_3a5b:Cd-S-Zn,20.0,AB5C4_hP20_156_2a_5a5b_3a5b:Cd-S-Zn +mp-1215578,Zn4CdS5,-3.391671908,-0.7272605546,0.3000125478,0.3000125478,GGA,R-3m,AB5C4_hR30_166_a_b2c_2c:Cd-S-Zn,10.0,"Invalid WP multiplicities - AB5C4_hR30_166_a_b4c_3c:Cd-S-Zn, expected Zn6CdS9 to be Zn4CdS5" +mp-1215786,ZnCd3GeS6,-3.8593890932,-0.8166490981000001,0.0398313509,0.0398313509,GGA,Cc,A3BC6D_mC44_9_3a_a_6a_a:Cd-Ge-S-Zn,22.0,A3BC6D_mC44_9_3a_a_6a_a:Cd-Ge-S-Zn +mp-981379,Zn3CdS4,-3.658147125,-1.0021571178,0.0161514065,0.0161514065,GGA,P-43m,AB4C3_cP8_215_a_e_c:Cd-S-Zn,8.0,AB4C3_cP8_215_a_e_c:Cd-S-Zn +mp-1078780,ZnCd3S4,-3.4887955612,-0.9170190166,0.0116437276,0.0116437276,GGA,P-43m,A3B4C_cP8_215_c_e_a:Cd-S-Zn,8.0,A3B4C_cP8_215_c_e_a:Cd-S-Zn +mp-753380,La(BiO2)2,-6.9119938914,-2.2828881471,0.0983983904,0.0983983904,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Bi-La-O,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_4c:Bi-La-O, expected La(BiO4)2 to be La(BiO2)2" +mp-758316,La10Bi8O27,-7.6515099827,-2.903852665,0.0,-0.0123229966,GGA,P1,A8B10C27_aP45_1_8a_10a_27a:Bi-La-O,45.0,A8B10C27_aP45_1_8a_10a_27a:Bi-La-O +mp-755003,LaBiO3,-7.462360249,-2.7390477752,0.0406504896,0.0406504896,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-La-O,10.0,ABC3_hR30_148_c_c_f:Bi-La-O +mp-768310,LaBiO3,-7.467816278,-2.7445038042,0.0351944606,0.0351944606,GGA,R3c,ABC3_hR30_161_a_a_b:Bi-La-O,10.0,ABC3_hR30_161_a_a_b:Bi-La-O +mp-1223065,LaBi3O8,-6.4067512267,-1.7375025446,0.1952666836,0.1952666836,GGA,Amm2,A3BC8_oC24_38_ae_a_2a2bde:Bi-La-O,12.0,A3BC8_oC24_38_ae_a_2a2bde:Bi-La-O +mp-690570,Ni4(BiO2)9,-6.090358899,-1.3572832315,0.1773724643,0.1773724643,GGA+U,P1,A9B4C18_aP31_1_9a_4a_18a:Bi-Ni-O,31.0,A9B4C18_aP31_1_9a_4a_18a:Bi-Ni-O +mp-1222967,LaNi4(BiO4)3,-6.579256772,-1.6323424845,0.0236991297,0.0236991297,GGA+U,P1,A3BC4D12_aP20_1_3a_a_4a_12a:Bi-La-Ni-O,20.0,A3BC4D12_aP20_1_3a_a_4a_12a:Bi-La-Ni-O +mp-1105718,NiBiO3,-6.247645475,-1.3555070863,0.0207188753,0.0207188753,GGA+U,P-1,ABC3_aP20_2_2i_abeh_6i:Bi-Ni-O,20.0,ABC3_aP20_2_2i_abeh_6i:Bi-Ni-O +mp-998363,NiBiO3,-6.129619996,-1.2374816073,0.1387443543,0.1387443543,GGA+U,Cm,ABC3_mC10_8_a_a_ab:Bi-Ni-O,5.0,ABC3_mC10_8_a_a_ab:Bi-Ni-O +mp-25096,NiBiO3,-6.2361217595,-1.3439833707,0.0322425908,0.0322425908,GGA+U,P2_1/m,ABC3_mP20_11_2e_ad_2e2f:Bi-Ni-O,20.0,"Invalid WP multiplicities - ABC3_mP20_11_2e_2a2c_2e4f:Bi-Ni-O, expected Ni2BiO5 to be NiBiO3" +mp-998527,NiBiO3,-6.257382958,-1.3652445693,0.0109813923,0.0109813923,GGA+U,R3,ABC3_hR30_146_2a_2a_2b:Bi-Ni-O,10.0,ABC3_hR30_146_2a_2a_2b:Bi-Ni-O +mp-675540,Ni3(BiO2)10,-6.0514345121,-1.364189798,0.1679461277,0.1679461277,GGA+U,C2,A10B3C20_mC66_5_5c_ac_10c:Bi-Ni-O,33.0,"Invalid WP multiplicities - A10B3C20_mC66_5_10c_ac_18c:Bi-Ni-O, expected Ni3(Bi5O9)4 to be Ni3(BiO2)10" +mp-1211407,La3Ni3Bi4,-5.4140558045,-0.663017017,0.0,-0.0081655855,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-La-Ni,20.0,A4B3C3_cI40_220_c_a_b:Bi-La-Ni +mp-773100,La2BiO5,-7.7401507506,-2.9344073886,0.0678091895,0.0678091895,GGA,P1,AB2C5_aP16_1_2a_4a_10a:Bi-La-O,16.0,AB2C5_aP16_1_2a_4a_10a:Bi-La-O +mp-1101457,Ni(BiO3)2,-6.0858338675,-1.2923619556,0.0,-0.0360422317,GGA+U,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Bi-Ni-O,36.0,A2BC6_tP18_136_e_a_fj:Bi-Ni-O +mp-770464,LaBiO4,-7.0901485642,-2.3296067175,0.0588043564,0.0588043564,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Bi-La-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_15e:Bi-La-O, expected LaBiO15 to be LaBiO4" +mp-1209935,Ni(Bi3O5)4,-6.1174328524,-1.5477425353,0.0629217961,0.0629217961,GGA+U,I23,A12BC20_cI66_197_f_a_2cf:Bi-Ni-O,33.0,A12BC20_cI66_197_f_a_2cf:Bi-Ni-O +mp-753883,La4Bi2O9,-7.8861539893,-3.0898069839,0.056809133,0.056809133,GGA,P1,A2B4C9_aP15_1_2a_4a_9a:Bi-La-O,15.0,A2B4C9_aP15_1_2a_4a_9a:Bi-La-O +mp-772867,La2Bi2O7,-7.3197625241,-2.5761431197,0.0293962336,-0.0091161508,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Bi-La-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_4_7a_7a_27a:Bi-La-O, expected La7Bi7O27 to be La2Bi2O7" +mp-770462,La2Bi2O7,-7.3491587577,-2.6055393533,0.0,-0.0385123844,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Bi-La-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Bi-La-O, expected LaBiO10 to be La2Bi2O7" +mp-753524,La2(BiO2)7,-6.6538647587,-2.0447743205,0.0860002907,0.0860002907,GGA,P1,A7B2C14_aP23_1_7a_2a_14a:Bi-La-O,23.0,A7B2C14_aP23_1_7a_2a_14a:Bi-La-O +mp-772194,La3Bi3O11,-7.2475989529,-2.4980069218,0.0308989211,0.0308989211,GGA,Pn-3,A3B3C11_cP68_201_g_be_efh:Bi-La-O,68.0,"Invalid WP multiplicities - A3B3C11_cP68_201_g_2b2e_4e6f7h:Bi-La-O, expected La6Bi3O68 to be La3Bi3O11" +mp-1070601,La2BiO2,-7.708351866,-2.9871757135,0.0,-0.1102954612,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-La-O,5.0,AB2C2_tI10_139_a_e_d:Bi-La-O +mp-753069,LaBi5O9,-6.559900178,-1.9826567676,0.0521150962,0.0521150962,GGA,Cm,A5BC9_mC30_8_5a_a_9a:Bi-La-O,15.0,A5BC9_mC30_8_5a_a_9a:Bi-La-O +mp-756597,Li2HfO3,-7.9107751242,-3.1415916413,0.0294528342,0.0023461087,GGA,C2/m,AB2C3_mC24_12_g_adh_ij:Hf-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_adh_2i2j:Hf-Li-O, expected Li2HfO6 to be Li2HfO3" +mp-770997,Li2HfO3,-7.929118295,-3.1599348122,0.0111096633,-0.0159970621,GGA,C2/m,AB2C3_mC12_12_a_i_bi:Hf-Li-O,6.0,"Invalid WP multiplicities - AB2C3_mC12_12_a_i_b2i:Hf-Li-O, expected Li2HfO5 to be Li2HfO3" +mp-755352,Li2HfO3,-7.9377185492,-3.1685350663,0.0025094092,-0.0245973163,GGA,C2/c,AB2C3_mC24_15_e_2e_cf:Hf-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_4e_2a3f:Hf-Li-O, expected Li4HfO8 to be Li2HfO3" +mp-2724101,Li2HfO3,-7.9402279583,-3.1710444755,0.0,-0.0271067254,GGA,Cmmm,AB2C3_oC12_65_a_h_bh:Hf-Li-O,6.0,"Invalid WP multiplicities - AB2C3_mC12_12_a_i_b2i:Hf-Li-O, expected Li2HfO5 to be Li2HfO3" +mp-757794,Li3HfO3,-6.9975437332,-2.6369689098,0.0892903835,0.0892903835,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Hf-Li-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Hf-Li-O, expected Li8HfO7 to be Li3HfO3" +mp-770743,Li2Hf2O5,-8.7420465797,-3.3569724298,0.0972769661,0.0972769661,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:Hf-Li-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_7e_5e_17e:Hf-Li-O, expected Li5Hf7O17 to be Li2Hf2O5" +mp-1177942,Li2Hf2O5,-8.7590143878,-3.3739402378,0.0803091581,0.0803091581,GGA,C2/c,A2B2C5_mC36_15_f_f_acef:Hf-Li-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_15_f_f_2a2c2e2f:Hf-Li-O, expected LiHfO5 to be Li2Hf2O5" +mp-1026771,LiHfMg14,-2.0878489037,0.0540281335,0.0848468816,0.0848468816,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Hf-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Hf-Li-Mg, expected LiHfMg18 to be LiHfMg14" +mp-1026769,LiHfMg14,-2.1005637888,0.0413132485,0.0721319966,0.0721319966,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Hf-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Hf-Li-Mg, expected LiHfMg26 to be LiHfMg14" +mp-752922,Li8HfO6,-6.1731216967,-2.5125414146,0.0027663177,0.0027663177,GGA,R-3,AB8C6_hR45_148_a_cf_f:Hf-Li-O,15.0,"Invalid WP multiplicities - AB8C6_hR45_148_a_c2f_f:Hf-Li-O, expected Li14HfO6 to be Li8HfO6" +mp-770645,Li8HfO6,-6.112603621,-2.4520233389,0.0632843933,0.0632843933,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Hf-Li-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Hf-Li-O, expected Li31HfO16 to be Li8HfO6" +mp-1031098,LiHfMg6O7,-6.4066091707,-2.6669682923,0.207701485,0.207701485,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:Hf-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:Hf-Li-Mg-O, expected LiHfMg10O11 to be LiHfMg6O7" +mp-1031103,LiHfMg6O7,-6.418034278,-2.6783933996,0.1962763777,0.1962763777,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:Hf-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:Hf-Li-Mg-O, expected LiHfMg10O11 to be LiHfMg6O7" +mp-1031107,LiHfMg6O7,-6.4422747653,-2.702633887,0.1720358903,0.1720358903,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:Hf-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:Hf-Li-Mg-O, expected LiHfMg10O11 to be LiHfMg6O7" +mp-1031144,LiHfMg6O7,-6.3921991827,-2.6525583043000003,0.222111473,0.222111473,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:Hf-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:Hf-Li-Mg-O, expected LiHfMg10O11 to be LiHfMg6O7" +mp-770805,Li6Hf2O7,-7.3665340663,-2.9668849837,0.001708469,-0.0153415286,GGA,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Hf-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_9e_2a10e:Hf-Li-O, expected Li9HfO11 to be Li6Hf2O7" +mp-772185,Li6Hf2O7,-7.3682425353,-2.9685934527,0.0,-0.0170499976,GGA,C2/c,A2B6C7_mC60_15_f_3f_e3f:Hf-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mC60_15_f_9f_2e11f:Hf-Li-O, expected Li9HfO12 to be Li6Hf2O7" +mp-1040093,LiHfMg30O31,-6.336609261,-2.9521352380000003,0.0591977942,0.0591977942,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:Hf-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:Hf-Li-Mg-O, expected LiHfMg38O39 to be LiHfMg30O31" +mp-1039957,LiHfMg30O31,-6.3347672935,-2.9502932705,0.0610397617,0.0610397617,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:Hf-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:Hf-Li-Mg-O, expected LiHfMg38O39 to be LiHfMg30O31" +mp-1040044,LiHfMg30O31,-6.3477034384,-2.9632294155,0.0481036167,0.0481036167,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:Hf-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:Hf-Li-Mg-O, expected LiHfMg38O39 to be LiHfMg30O31" +mp-1040036,LiHfMg30O31,-6.3343193632,-2.9498453402,0.061487692,0.061487692,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_2ab2c2d2e2f:Hf-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_2ab2c2d6e6f:Hf-Li-Mg-O, expected LiHfMg62O63 to be LiHfMg30O31" +mp-756299,Li4HfO4,-6.9138666172,-2.7605738015,0.0569244111,0.0569244111,GGA,Cmcm,AB4C4_oC36_63_c_eg_fg:Hf-Li-O,18.0,"Invalid WP multiplicities - AB4C4_oC36_63_c_2eg_f2g:Hf-Li-O, expected Li6HfO6 to be Li4HfO4" +mp-1035011,LiHfMg14O15,-6.3691192039,-2.8700752276,0.0971728837,0.0971728837,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-Li-Mg-O +mp-1035023,LiHfMg14O15,-6.3617384077,-2.8626944314,0.1045536798,0.1045536798,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-Li-Mg-O +mp-1035025,LiHfMg14O15,-6.3485400777,-2.8494961014,0.1177520098,0.1177520098,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-Li-Mg-O +mp-1035212,LiHfMg14O15,-6.3529954965,-2.8539515201,0.1132965911,0.1132965911,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-Li-Mg-O +mp-1017482,LiHfMg6,-2.5616741413,0.1217998833,0.156686531,0.156686531,GGA,Amm2,ABC6_oC16_38_a_b_abde:Hf-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Hf-Li-Mg, expected LiHfMg12 to be LiHfMg6" +mp-1017486,LiHfMg6,-2.5516905356,0.131783489,0.1666701367,0.1666701367,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Hf-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Hf-Li-Mg, expected LiHfMg12 to be LiHfMg6" +mp-18473,RbLa(MoO4)2,-8.1534859492,-2.5550400252000003,0.0,-0.0325303378,GGA+U,P4/nnc,AB2C8D_tP24_126_a_d_k_b:La-Mo-O-Rb,24.0,AB2C8D_tP24_126_a_d_k_b:La-Mo-O-Rb +mp-759172,TaSb3O8,-7.5906061404,-2.2724152204,0.0014646998,0.0014646998,GGA,P1,A8B3C_aP48_1_32a_12a_4a:O-Sb-Ta,48.0,A8B3C_aP48_1_32a_12a_4a:O-Sb-Ta +mp-1217944,TaSb3O8,-7.5917130379,-2.2735221179,0.0003578023,0.0003578023,GGA,Pc,A8B3C_mP24_7_8a_3a_a:O-Sb-Ta,24.0,"Invalid WP multiplicities - A8B3C_mP24_7_16a_5a_a:O-Sb-Ta, expected TaSb5O16 to be TaSb3O8" +mp-647226,TaSbO4,-8.4682370754,-2.5059814562,0.2034386854,0.1705076763,GGA,Pnna,A4BC_oP24_52_2e_d_c:O-Sb-Ta,24.0,"Invalid WP multiplicities - A4BC_oP24_52_12e_d_c:O-Sb-Ta, expected TaSbO24 to be TaSbO4" +mp-1179305,TaSbO4,-7.73538316,-1.7731275408,0.9362926008,0.9033615917,GGA,Pnna,A4BC_oP24_52_2e_d_c:O-Sb-Ta,24.0,"Invalid WP multiplicities - A4BC_oP24_52_12e_d_c:O-Sb-Ta, expected TaSbO24 to be TaSbO4" +mp-1205391,TaSbO4,-8.6716757608,-2.7094201417,0.0,-0.0329310092,GGA,Pnna,A4BC_oP24_52_2e_c_d:O-Sb-Ta,24.0,"Invalid WP multiplicities - A4BC_oP24_52_3e_c_d:O-Sb-Ta, expected TaSbO6 to be TaSbO4" +mp-1179506,TaSbO4,-7.7847469679,-1.8224913488,0.8869287929,0.8539977838,GGA,Cmcm,A4BC_oC24_63_fg_c_a:O-Sb-Ta,24.0,"Invalid WP multiplicities - A4BC_oC24_63_2f2g_c_a:O-Sb-Ta, expected TaSbO8 to be TaSbO4" +mp-1323702,TaZn2SbO6,-6.9604569835,-2.1418171478,0.200449041,0.200449041,GGA,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sb-Ta-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e6f_a_c_2e:O-Sb-Ta-Zn, expected TaZn2SbO16 to be TaZn2SbO6" +mp-15687,KZnAs,-2.8113358333000003,-0.468248846,0.0077028683,-0.0835321897,GGA,P-6m2,ABC_hP3_187_a_d_e:As-K-Zn,3.0,ABC_hP3_187_a_d_e:As-K-Zn +mp-7421,KZnAs,-2.8190387017000003,-0.4759517143,0.0,-0.0912350581,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-K-Zn,6.0,ABC_hP6_194_c_a_d:As-K-Zn +mp-6984,K2SiAs2,-3.846409195,-0.4535386482,0.0,-0.090711713,GGA,Ibam,A2B2C_oI20_72_j_j_a:As-K-Si,10.0,A2B2C_oI20_72_j_j_a:As-K-Si +mp-1211981,K(SiAs)3,-4.7378053986,-0.2572756483,0.0,-0.0648325668,GGA,Pbam,A3BC3_oP28_55_g2h_g_2gh:As-K-Si,28.0,A3BC3_oP28_55_g2h_g_2gh:As-K-Si +mp-1223862,K2Zn3SiAs4,-3.346463235,-0.3402811976,0.0240088875,0.0240088875,GGA,C222,A4B2CD3_oC20_21_l_k_a_bcd:As-K-Si-Zn,10.0,A4B2CD3_oC20_21_l_k_a_bcd:As-K-Si-Zn +mp-1191100,K2Zn5As4,-2.8080364123,-0.3393100883,0.0,-0.0124164159,GGA,Cmcm,A4B2C5_oC44_63_fg_e_cfg:As-K-Zn,22.0,A4B2C5_oC44_63_fg_e_cfg:As-K-Zn +mp-571461,K4ZnAs2,-2.6017235786,-0.4560698346,0.0,-0.0682034479,GGA,R-3m,A2B4C_hR21_166_c_2c_a:As-K-Zn,7.0,"Invalid WP multiplicities - A2B4C_hR21_166_c_3c_a:As-K-Zn, expected K6ZnAs2 to be K4ZnAs2" +mp-2210635,MgMnS2,-5.853859905,-1.095061136,0.1448660513,0.1448660513,GGA,R3m,ABC2_hR12_160_a_a_2a:Mg-Mn-S,4.0,ABC2_hR12_160_a_a_2a:Mg-Mn-S +mp-1246726,DyMg2Mn3S8,-6.1667090343,-1.2820667663,0.0783094791,0.0783094791,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Dy-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Dy-Mg-Mn-S, expected DyMg2Mn3S16 to be DyMg2Mn3S8" +mp-1246588,Dy3Mg2MnS8,-6.0764442721,-1.8425489259,0.0590740095,0.0590740095,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Dy-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Dy-Mg-Mn-S, expected Dy3Mg2MnS22 to be Dy3Mg2MnS8" +mp-1225337,Dy4MnS7,-6.7965492758,-2.0845232992,0.0242964496,0.0242964496,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Dy-Mn-S,12.0,A4BC7_mC24_8_4a_a_7a:Dy-Mn-S +mp-1246871,DyMgMnS4,-6.1108232607,-1.5515544536,0.0794451368,0.0794451368,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Dy-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Dy-Mg-Mn-S, expected DyMgMnS12 to be DyMgMnS4" +mp-1443978,Mg(MnS2)4,-6.4837193723,-0.9960316682,0.0013062865,0.0013062865,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Mg-Mn-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Mg-Mn-S, expected Mg(Mn2S7)2 to be Mg(MnS2)4" +mp-1400454,Mg(MnS2)4,-6.4620681092,-0.9743804051,0.0229575496,0.0229575496,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Mg-Mn-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Mg-Mn-S, expected Mg(Mn2S7)2 to be Mg(MnS2)4" +mp-2219176,Mg(MnS2)4,-6.4447771654,-0.9570894613,0.0402484935,0.0402484935,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Mg-Mn-S,13.0,"Invalid WP multiplicities - AB4C8_cF52_216_a_e_3e:Mg-Mn-S, expected Mg(MnS3)4 to be Mg(MnS2)4" +mp-2225342,Mg(MnS2)2,-6.1724149429,-0.9623992141,0.1273536864,0.1273536864,GGA,Pm,AB2C4_mP7_6_a_ab_2a2b:Mg-Mn-S,7.0,AB2C4_mP7_6_a_ab_2a2b:Mg-Mn-S +mp-2225360,Mg(MnS2)2,-6.2291826257,-1.0191668969,0.0705860036,0.0705860036,GGA,Pm,AB2C4_mP7_6_a_ab_2a2b:Mg-Mn-S,7.0,AB2C4_mP7_6_a_ab_2a2b:Mg-Mn-S +mp-2225307,Mg(MnS2)2,-6.2305798157,-1.0205640869,0.0691888136,0.0691888136,GGA,P2/m,AB2C4_mP7_10_b_ce_mn:Mg-Mn-S,7.0,AB2C4_mP7_10_c_bd_mn:Mg-Mn-S +mp-1045474,Mg(MnS2)2,-6.2314292007,-1.0214134719,0.0683394286,0.0683394286,GGA,C2/m,AB2C4_mC28_12_ac_bde_2ij:Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_ac_bd2e_4i3j:Mg-Mn-S, expected MgMn3S10 to be Mg(MnS2)2" +mp-1410838,Mg(MnS2)2,-6.2437483807,-1.0337326519,0.0560202486,0.0560202486,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Mg-Mn-S,14.0,AB2C4_tI28_141_a_d_h:Mg-Mn-S +mp-1402738,Mg(MnS2)2,-6.24255499,-1.0325392612,0.0572136393,0.0572136393,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Mn-S,14.0,AB2C4_cF56_227_a_d_e:Mg-Mn-S +mp-2226962,Mg(Mn2S3)2,-6.6502234109,-0.9168561,0.0683688705,0.0683688705,GGA,R-3,AB4C6_hR33_148_a_2c_f:Mg-Mn-S,11.0,"Invalid WP multiplicities - AB4C6_hR33_148_a_3c_f:Mg-Mn-S, expected Mg(MnS)6 to be Mg(Mn2S3)2" +mp-1228967,AlCr4GaC2,-8.13138121,-0.1509821203,0.0005288319,0.0005288319,GGA,P-6m2,AB2C4D_hP8_187_a_i_gh_d:Al-C-Cr-Ga,8.0,"Invalid WP multiplicities - AB2C4D_hP8_187_a_i_2gh_d:Al-C-Cr-Ga, expected AlCr6GaC2 to be AlCr4GaC2" +mp-20197,Cr2GaC,-8.0209275837,-0.13021347,0.0,-0.0130039722,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Cr-Ga,8.0,AB2C_hP8_194_a_f_c:C-Cr-Ga +mp-9956,AlCr2C,-8.2428925,-0.1728084344,0.0,-0.0592906037,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Cr,8.0,ABC2_hP8_194_c_a_f:Al-C-Cr +mp-2868,Th11(Ru2C3)6,-9.0485398593,-0.2933874179,0.0,-0.0009741886,GGA,I-43m,A18B12C11_cI82_217_eg_g_acd:C-Ru-Th,41.0,A18B12C11_cI82_217_eg_g_acd:C-Ru-Th +mp-1217295,Th2Si3Ru,-7.476027155,-0.7463483,0.0088953428,0.0088953428,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Ru-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Ru-Si-Th +mp-1025056,ThSi2Ru3,-8.4353210617,-0.7540374067000001,0.0140028033,0.0140028033,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ru-Si-Th,6.0,A3B2C_hP6_191_g_c_a:Ru-Si-Th +mp-1068732,ThSi3Ru,-7.336577622,-0.743734646,0.0,-0.0925294301,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ru-Si-Th,5.0,AB3C_tI10_107_a_ab_a:Ru-Si-Th +mp-5439,Th2Ru6C5,-9.1802828923,-0.2097091075,0.013187746,0.013187746,GGA,P4/mbm,A5B6C2_tP26_127_bk_acj_g:C-Ru-Th,26.0,"Invalid WP multiplicities - A5B6C2_tP26_127_bk_ac2j_g:C-Ru-Th, expected Th2(Ru2C)5 to be Th2Ru6C5" +mp-5165,Th(SiRu)2,-8.28430813,-0.921648252,0.0,-0.1704008009,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-Th +mp-1205580,ThSiRu2C,-8.72600291,-0.6026735395,0.0,-0.0155771296,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Th,10.0,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Th +mp-22394,ThRu3C,-9.182912182,-0.2897659095,0.0,-0.051979715,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Th,5.0,AB3C_cP5_221_b_c_a:C-Ru-Th +mp-1208274,Th3(Si3Ru)4,-7.0956732797,-0.5460416339,0.1269690168,0.1269690168,GGA,Cmce,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Th,38.0,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Th +mp-1018631,Dy(CuS)2,-5.217999828,-1.0023798452,0.29656462,0.29656462,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cu-Dy-S,5.0,A2BC2_hP5_164_d_a_d:Cu-Dy-S +mp-554120,DyCuS2,-5.8678463925,-1.6231230816000002,0.0005574999999999,-0.0125505996,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Cu-Dy-S,16.0,"Invalid WP multiplicities - ABC2_oP16_19_a_a_4a:Cu-Dy-S, expected DyCuS4 to be DyCuS2" +mp-555044,DyCuS2,-5.8684038925,-1.6236805816,0.0,-0.0131080996,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Dy-S,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_6c:Cu-Dy-S, expected DyCuS6 to be DyCuS2" +mp-1225724,Dy(CuS)3,-5.2557155479,-1.0680360549,0.0,-0.0094165131,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Dy-S,14.0,A3BC3_hR42_148_f_c_f:Cu-Dy-S +mp-557998,Dy3CuSiS7,-6.1723305954,-1.8139944047,0.0,-0.0311521452,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Dy-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b6c_b:Cu-Dy-S-Si, expected Dy3CuSiS20 to be Dy3CuSiS7" +mp-989577,LiTl2GaF6,-4.762248804,-2.6491309052,0.0,-0.0019649266,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Tl +mp-1205554,Tl3GaF6,-4.570738582,-2.4122486552,0.0,-0.0603857738,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-Tl,10.0,A6BC3_cF40_225_e_a_bc:F-Ga-Tl +mp-1216587,TlGaF6,-4.63443639,-2.5269847682,0.0,-0.0121419722,GGA,R-3,A6BC_hR24_148_f_a_b:F-Ga-Tl,8.0,A6BC_hR24_148_f_a_b:F-Ga-Tl +mp-28449,CsTbF5,-5.5850834832,-3.429774439,0.0,-0.0413304507,GGA,Cmce,AB5C_oC56_64_d_d2fg_f:Cs-F-Tb,28.0,AB5C_oC56_64_d_d2fg_f:Cs-F-Tb +mp-696965,Cs3TbF6,-5.420542788,-3.5415980859,0.0,-0.04898052,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Tb,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Tb +mp-1206873,Cs2NaTbF6,-5.511348437,-3.5896914427,0.0,-0.045234293,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Tb +mp-989562,Cs2LiTlF6,-4.467473791,-2.7143493348,0.0101504735,0.0101504735,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Tl +mp-22259,Yb2Ru2O7,-7.4077494664,-2.2936728647,0.0,-0.1080209744,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Yb,,A7B2C2_cF88_227_af_d_c:O-Ru-Yb +mp-1235386,LiYb4(Ru2O7)2,-7.2704150887,-2.2956929972,0.0031188352,0.0031188352,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Li-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a8b_ab_ab:Li-O-Ru-Yb, expected LiYb4(Ru2O13)2 to be LiYb4(Ru2O7)2" +mp-1235586,LiYb4(Ru2O7)2,-7.2271370074,-2.2524149159,0.0463969165,0.0463969165,GGA,F-43m,AB14C4D4_cF92_216_a_bcfg_e_e:Li-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_cF92_216_a_bc2f2g_e_e:Li-O-Ru-Yb, expected LiYb4(Ru2O13)2 to be LiYb4(Ru2O7)2" +mp-1022242,NaMg6Fe,-2.1947150444,0.2295633061,0.2475139255,0.2475139255,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Na, expected NaMg12Fe to be NaMg6Fe" +mp-1022266,NaMg6Fe,-2.1934002825,0.2308780679,0.2488286874,0.2488286874,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Na, expected NaMg12Fe to be NaMg6Fe" +mp-1027757,NaMg14Fe,-1.8585497319,0.1537294683,0.1746718577,0.1746718577,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Na, expected NaMg18Fe to be NaMg14Fe" +mp-1027787,NaMg14Fe,-1.8628191956,0.1494600046,0.1704023939,0.1704023939,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Na, expected NaMg26Fe to be NaMg14Fe" +mp-1210436,Na2MgFeF7,-5.5014269964,-3.1290902128,0.0,-0.0047600356,GGA+U,Imma,A7BCD2_oI44_74_ehj_a_c_bd:F-Fe-Mg-Na,22.0,"Invalid WP multiplicities - A7BCD2_oI44_74_2e2hj_a_c_bd:F-Fe-Mg-Na, expected Na2MgFeF10 to be Na2MgFeF7" +mp-2955,NaMgF3,-5.2313661745,-3.4999177253,0.0,-0.0268641425,GGA,Pnma,A3BC_oP20_62_cd_a_c:F-Mg-Na,20.0,A3BC_oP20_62_cd_a_c:F-Mg-Na +mp-12948,NaMgF3,-5.199965147,-3.4685166978,0.0314010275,0.004536885,GGA,Cmcm,A3BC_oC20_63_cf_a_c:F-Mg-Na,10.0,A3BC_oC20_63_cf_a_c:F-Mg-Na +mp-560399,NaMgF3,-5.189718372,-3.4582699228,0.0416478025,0.01478366,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Mg-Na,5.0,A3BC_cP5_221_c_b_a:F-Mg-Na +mp-1187221,SrNd3,-3.8556963563,0.1427875815,0.1427875815,0.1427875815,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Sr,8.0,A3B_hP8_194_h_c:Nd-Sr +mp-975579,NdBeO3,-7.540602378,-2.8710770918,0.26662336,0.26662336,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Nd-O,5.0,ABC3_cP5_221_b_a_c:Be-Nd-O +mp-1101333,SrNdO3,-7.070098142,-2.8105567381,0.3580356817,0.3580356817,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nd-O-Sr,5.0,AB3C_cP5_221_b_c_a:Nd-O-Sr +mp-1187132,Sr3Nd,-2.2949777037,0.1641792444,0.1641792444,0.1641792444,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nd-Sr,8.0,AB3_hP8_194_c_h:Nd-Sr +mp-1208779,Sr2NdBeO5,-7.1999547367,-3.1310668744,0.0077518447,0.0077518447,GGA,Pnma,ABC5D2_oP36_62_c_c_3cd_d:Be-Nd-O-Sr,36.0,ABC5D2_oP36_62_c_c_3cd_d:Be-Nd-O-Sr +mp-1187143,SrBeO3,-6.24200261,-2.1882081196,0.376971985,0.376971985,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Sr,5.0,AB3C_cP5_221_b_c_a:Be-O-Sr +mp-1218200,SrNd2BeO5,-7.8821554381,-3.4711949114,0.0085784176,0.0085784176,GGA,Pna2_1,AB2C5D_oP36_33_a_2a_5a_a:Be-Nd-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_33_a_2a_10a_a:Be-Nd-O-Sr, expected SrNd2BeO10 to be SrNd2BeO5" +mp-755405,SrNd2O4,-7.9717245261,-3.541361217,0.039639865,0.039639865,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Nd-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:Nd-O-Sr, expected SrNd5O13 to be SrNd2O4" +mp-753418,SrNd2O4,-7.9789143286,-3.5485510195,0.0324500625,0.0324500625,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Nd-O-Sr,14.0,A2B4C_cF56_227_c_e_b:Nd-O-Sr +mp-27791,SrBe3O4,-7.200349755,-3.1135388933,0.0,-0.0164881831,GGA,P-62c,A3B4C_hP16_190_af_cg_d:Be-O-Sr,16.0,"Invalid WP multiplicities - A3B4C_hP16_190_af_c2g_d:Be-O-Sr, expected SrBe3O7 to be SrBe3O4" +mp-675048,Sr3Nd4O9,-7.5511509475,-3.2598216668,0.2582701541,0.2582701541,GGA,P1,A4B9C3_aP32_1_8a_18a_6a:Nd-O-Sr,32.0,A4B9C3_aP32_1_8a_18a_6a:Nd-O-Sr +mp-1173227,Sr3Nd4O9,-7.5915268459,-3.3001975652,0.2178942556,0.2178942556,GGA,P1,A4B9C3_aP32_1_8a_18a_6a:Nd-O-Sr,32.0,A4B9C3_aP32_1_8a_18a_6a:Nd-O-Sr +mp-1218602,Sr3Nd4O9,-7.7495073066,-3.4581780259,0.059913795,0.059913795,GGA,Cc,A4B9C3_mC64_9_4a_9a_3a:Nd-O-Sr,32.0,A4B9C3_mC64_9_4a_9a_3a:Nd-O-Sr +mp-1235170,LiLa4Ho4O12,-8.3713572743,-3.6407453075,0.1256058979,0.1256058979,GGA,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Ho-La-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Ho-La-Li-O +mp-1236256,LiLa4Ho4O12,-8.3630788724,-3.6324669056,0.1338842998,0.1338842998,GGA,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Ho-La-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Ho-La-Li-O +mp-779720,Li5LaO4,-5.8803356162,-2.4535979879,0.0616451391,0.0616451391,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:La-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:La-Li-O, expected Li17LaO13 to be Li5LaO4" +mp-780259,Li5LaO4,-5.8928782596,-2.4661406313,0.0491024957,0.0491024957,GGA,P4_2/nmc,AB5C4_tP80_137_g_abd2fh_2gh:La-Li-O,80.0,"Invalid WP multiplicities - AB5C4_tP80_137_g_2a2b3d6f8h_12g3h:La-Li-O, expected Li49La2O36 to be Li5LaO4" +mp-1235108,LiHo2O3,-7.446358055,-3.1273902649,0.2346356176,0.2346356176,GGA,Cm,A2BC3_mC12_8_2a_a_3a:Ho-Li-O,6.0,A2BC3_mC12_8_2a_a_3a:Ho-Li-O +mp-1235976,LiHo2O3,-7.476892375,-3.1579245849,0.2041012976,0.2041012976,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Ho-Li-O,6.0,A2BC3_hP6_164_d_a_bd:Ho-Li-O +mp-780226,Li3LaO3,-6.2574514586,-2.6141883387,0.095292409,0.095292409,GGA,P-31c,AB3C3_hP28_163_ac_i_i:La-Li-O,28.0,AB3C3_hP28_163_ac_i_i:La-Li-O +mp-1120737,Li2La4O7,-7.4776844031,-3.0016309314,0.4549175887,0.4549175887,GGA,P-31m,A4B2C7_hP13_162_de_c_ak:La-Li-O,13.0,"Invalid WP multiplicities - A4B2C7_hP13_162_de_c_a2k:La-Li-O, expected Li2La4O13 to be Li2La4O7" +mp-973818,LiHoO3,-6.51461901,-2.2483394359,0.4370870381,0.4370870381,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ho-Li-O,5.0,ABC3_cP5_221_a_b_c:Ho-Li-O +mp-1020057,LiLaO2,-7.3577382056,-3.1731613571,0.0219134427,0.0219134427,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:La-Li-O,16.0,ABC2_mP16_14_e_e_2e:La-Li-O +mp-756544,LiLaO2,-7.3662816537,-3.1817048052,0.0133699945,0.0133699945,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:La-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:La-Li-O, expected LiLaO3 to be LiLaO2" +mp-1185357,LiLaO3,-6.721507272,-2.3845080509,0.2211561298,0.2211561298,GGA,Pm-3m,ABC3_cP5_221_a_b_c:La-Li-O,5.0,ABC3_cP5_221_a_b_c:La-Li-O +mp-12645,LiHoO2,-7.3999922087,-3.303814919,0.0,-0.0090372527,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ho-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Ho-Li-O, expected LiHoO5 to be LiHoO2" +mp-1176669,LiHoO2,-7.3194312225,-3.2232539327,0.0805609863,0.0715237336,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Li-O,4.0,ABC2_hR12_166_a_b_c:Ho-Li-O +mp-1246574,Sr2MoN3,-7.5380336179,-0.9990133193,0.0529533905,0.0529533905,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Mo-N-Sr,24.0,AB3C2_mC48_15_f_2e2f_2f:Mo-N-Sr +mp-8863,Ba3MoN4,-7.2663179006,-1.0227485719,0.0,-0.1460217555,GGA,Pbca,A3BC4_oP64_61_3c_c_4c:Ba-Mo-N,64.0,"Invalid WP multiplicities - A3BC4_oP64_61_4c_c_6c:Ba-Mo-N, expected Ba4MoN6 to be Ba3MoN4" +mp-629082,Ba3MoN4,-7.2574921402,-1.0139228115,0.0088257604,-0.1371959951,GGA,P31c,A3BC4_hP144_159_a2b8c_3c_12c:Ba-Mo-N,144.0,"Invalid WP multiplicities - A3BC4_hP144_159_2a4b44c_13c_65c:Ba-Mo-N, expected Ba46(MoN5)13 to be Ba3MoN4" +mp-1246124,Sr3Mo3N5,-7.8886028682,-0.6806114759,0.2298259984,0.2298259984,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Mo-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Mo-N-Sr +mp-1247383,Ba3(MoN2)2,-7.3381631667,-0.5832515289,0.3258583128,0.3258583128,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Mo-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Mo-N +mp-1247339,Ba3(MoN2)2,-7.4755224847,-0.7206108469,0.1884989947,0.1884989947,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Mo-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Mo-N +mp-1245846,Sr3(MoN2)2,-7.300368325,-0.6219505161000001,0.3567972454,0.3567972454,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Mo-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Mo-N-Sr +mp-1247568,Sr3(MoN2)2,-7.4333823703,-0.7549645614,0.2237832001,0.2237832001,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Mo-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Mo-N-Sr +mp-1247251,Ba2MoN3,-7.5714238904,-0.9559097629,0.0139902819,0.0139902819,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ba-Mo-N,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_2f_f_2e2f:Ba-Mo-N, expected Ba2MoN4 to be Ba2MoN3" +mp-1245616,Ba2SrN2,-4.916070043,-0.4759834063,0.1373085947,0.1373085947,GGA,Pmmn,A2B2C_oP10_59_e_e_a:Ba-N-Sr,10.0,A2B2C_oP10_59_e_e_a:Ba-N-Sr +mp-1247390,Ba2SrN2,-5.000793084,-0.5607064473,0.0525855537,0.0525855537,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ba-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Ba-N-Sr +mp-1228681,Ba7Sr5(MoN4)4,-7.2834972038,-1.0757843573,0.0,-0.0203930105,GGA,P2_1,A7B4C16D5_mP64_4_7a_4a_16a_5a:Ba-Mo-N-Sr,64.0,A7B4C16D5_mP64_4_7a_4a_16a_5a:Ba-Mo-N-Sr +mp-1227306,BaSrN,-4.56759697,-0.5859425306,0.0100921533,0.0100921533,GGA,R3m,ABC_hR9_160_a_a_a:Ba-N-Sr,3.0,ABC_hR9_160_a_a_a:Ba-N-Sr +mp-1246568,Ba3Mo3N5,-7.9082701423,-0.6376928900000001,0.2055991311,0.2055991311,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Mo-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Mo-N +mp-1246810,Ba3MoN3,-6.7962878486000005,-0.8517078907000001,0.0249337423,0.0249337423,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Mo-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Mo-N +mp-31231,Sr5Mo2N7,-7.4090443414,-1.0880277727,0.0,-0.0133165126,GGA,P-1,A2B7C5_aP28_2_2i_7i_5i:Mo-N-Sr,28.0,"Invalid WP multiplicities - A2B7C5_aP28_2_2i_8i_7i:Mo-N-Sr, expected Sr7(MoN4)2 to be Sr5Mo2N7" +mp-1245912,BaSr2N2,-4.826637186,-0.4324468467,0.2231876617,0.2231876617,GGA,Pmmn,AB2C2_oP10_59_a_e_e:Ba-N-Sr,10.0,AB2C2_oP10_59_a_e_e:Ba-N-Sr +mp-1246150,BaSr2N2,-4.915692416,-0.5215020767,0.1341324317,0.1341324317,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-N-Sr,5.0,AB2C2_hP5_164_a_d_d:Ba-N-Sr +mp-570046,Sr3MoN4,-7.258605002899999,-1.1010912317,0.0,-0.061050962,GGA,C2/c,AB4C3_mC96_15_ef_6f_e4f:Mo-N-Sr,48.0,"Invalid WP multiplicities - AB4C3_mC96_15_e2f_24f_2e14f:Mo-N-Sr, expected Sr30Mo5N48 to be Sr3MoN4" +mp-31356,Sr3MoN4,-7.2546927408,-1.0971789695,0.0039122621,-0.0571386998,GGA,Pbca,AB4C3_oP64_61_c_4c_3c:Mo-N-Sr,64.0,"Invalid WP multiplicities - AB4C3_oP64_61_c_6c_3c:Mo-N-Sr, expected Sr3MoN6 to be Sr3MoN4" +mp-1246448,Sr3MoN3,-6.7580087129,-0.9117779636,0.0320145207,0.0320145207,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Mo-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Mo-N-Sr +mp-1029505,Ba(MoN2)2,-8.8154954721,-0.678887635,0.0037370319,0.0037370319,GGA,Pa-3,AB2C4_cP84_205_ac_d_2d:Ba-Mo-N,84.0,AB2C4_cP84_205_ac_d_2d:Ba-Mo-N +mp-1113650,Rb2TlCoF6,-4.76884491,-2.4787546208,0.0758903745,0.0758903745,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-Rb-Tl +mp-1178710,YCu3HgSe4,-4.3048787856,-0.6324990746,0.2051882476,0.2051882476,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Hg-Se-Y,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Hg-Se-Y +mp-1093654,Y2CuHg,-2.29175776,2.0421995554,2.4296211725,2.4296211725,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Hg-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Hg-Y +mp-1195367,Ba8U2PdSe16,-5.4977527015,-1.8292680721,0.0,-0.0279563287,GGA,Pnnm,A8BC16D2_oP54_58_2gh_a_2g3h_e:Ba-Pd-Se-U,54.0,A8BC16D2_oP54_58_2gh_a_2g3h_e:Ba-Pd-Se-U +mp-554765,BaSb2F12,-5.2014581533,-2.993809818,0.0,-0.0648866408,GGA,P1,AB12C2_aP15_1_a_12a_2a:Ba-F-Sb,15.0,AB12C2_aP15_1_a_12a_2a:Ba-F-Sb +mp-861962,BaSb2F12,-5.1922705387,-2.9846222033,0.0091876147,-0.0556990262,GGA,P1,AB12C2_aP15_1_a_12a_2a:Ba-F-Sb,15.0,AB12C2_aP15_1_a_12a_2a:Ba-F-Sb +mp-1044608,Ba2Sb2F11,-5.4076062482000005,-3.1994581814,0.1195559779,0.1195559779,GGA,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Sb,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Sb, expected Ba5Sb5F31 to be Ba2Sb2F11" +mp-18099,BaSbF5,-5.6041422868,-3.37480357,0.0,-0.0544633811,GGA,Pbcm,AB5C_oP28_57_c_d2e_d:Ba-F-Sb,28.0,AB5C_oP28_57_c_d2e_d:Ba-F-Sb +mp-1041341,BaSbF7,-5.323368275,-3.1646650581,0.0241738094,0.0241738094,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Ba-F-Sb,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_23e_e:Ba-F-Sb, expected BaSbF23 to be BaSbF7" +mp-556539,BaSb2Xe5F22,-3.6691508363,-1.9221379845,0.0,-0.0335365613,GGA,Fmmm,AB22C2D5_oF120_69_a_gmnop_c_bde:Ba-F-Sb-Xe,30.0,"Invalid WP multiplicities - AB22C2D5_oF120_69_a_2g4m4n4o7p_c_b2d2e:Ba-F-Sb-Xe, expected BaSb2(XeF12)9 to be BaSb2Xe5F22" +mp-1209762,SbTe2SeF6,-4.5270977134,-1.9890578824,0.0606289084,0.0606289084,GGA,P2_12_12_1,A6BCD2_oP80_19_12a_2a_2a_4a:F-Sb-Se-Te,80.0,A6BCD2_oP80_19_12a_2a_2a_4a:F-Sb-Se-Te +mp-1219473,Sb4(TeSe)3,-4.108063191,-0.4646974837,0.011204653,0.011204653,GGA,Cm,A4B3C3_mC20_8_4a_3a_3a:Sb-Se-Te,10.0,A4B3C3_mC20_8_4a_3a_3a:Sb-Se-Te +mp-557635,Sb2TeSeF10,-4.7917469192,-2.3623176673,0.055319383,0.055319383,GGA,Pbcm,A10B2CD_oP112_57_6d7e_c3d_e_e:F-Sb-Se-Te,112.0,"Invalid WP multiplicities - A10B2CD_oP112_57_22d49e_3c7d_e_e:F-Sb-Se-Te, expected Sb5TeSeF60 to be Sb2TeSeF10" +mp-754462,SbTe2F6,-4.5679416267,-2.1363319787,0.0869985257,0.0869985257,GGA,P-1,A6BC2_aP18_2_6i_i_2i:F-Sb-Te,18.0,"Invalid WP multiplicities - A6BC2_aP18_2_11i_i_3i:F-Sb-Te, expected SbTe3F11 to be SbTe2F6" +mp-8612,Sb2TeSe2,-4.176821558,-0.4981952923,0.0,-0.0020160855,GGA,R3m,A2B2C_hR15_160_2a_2a_a:Sb-Se-Te,5.0,A2B2C_hR15_160_2a_2a_a:Sb-Se-Te +mp-571550,Sb2TeSe2,-4.140172254,-0.4615459883,0.036649304,0.0346332185,GGA,R-3m,A2B2C_hR15_166_c_c_a:Sb-Se-Te,5.0,A2B2C_hR15_166_c_c_a:Sb-Se-Te +mp-1209641,Sb2Te3(SeF4)3,-4.5681468121,-2.012476702,0.0604297996,0.0604297996,GGA,P2_12_12_1,A12B2C3D3_oP80_19_12a_2a_3a_3a:F-Sb-Se-Te,80.0,A12B2C3D3_oP80_19_12a_2a_3a_3a:F-Sb-Se-Te +mp-662919,SbTe(SeF3)2,-4.401313537,-1.8280131476,0.1969539888,0.1969539888,GGA,P2_12_12_1,A6BC2D_oP80_19_12a_2a_4a_2a:F-Sb-Se-Te,80.0,"Invalid WP multiplicities - A6BC2D_oP80_19_45a_4a_14a_5a:F-Sb-Se-Te, expected Sb4Te5Se14F45 to be SbTe(SeF3)2" +mp-27473,Sb2TeF14,-4.8186383168,-2.5738139686,0.0,-0.0254948293,GGA,P2_1/c,A14B2C_mP68_14_14e_2e_e:F-Sb-Te,68.0,A14B2C_mP68_14_14e_2e_e:F-Sb-Te +mp-1219475,Sb2Te2Se,-4.029591436,-0.4214862871,0.032122694,0.019211282,GGA,R3m,A2BC2_hR15_160_2a_a_2a:Sb-Se-Te,5.0,A2BC2_hR15_160_2a_a_2a:Sb-Se-Te +mp-3525,Sb2Te2Se,-4.06171413,-0.4536089811,0.0,-0.012911412,GGA,R-3m,A2BC2_hR15_166_c_a_c:Sb-Se-Te,5.0,A2BC2_hR15_166_c_a_c:Sb-Se-Te +mp-6407,Sb2Te(SeF5)2,-4.7423346145,-2.2418065475,0.0146546994,0.0146546994,GGA,Pbca,A10B2C2D_oP240_61_20c_ab3c_4c_2c:F-Sb-Se-Te,240.0,A10B2C2D_oP240_61_20c_ab3c_4c_2c:F-Sb-Se-Te +mp-1110880,K3SbCl6,-3.695724879,-1.8405830749,0.0702903038,0.0702903038,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Sb,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Sb +mp-1112196,K2HgSbCl6,-3.293634183,-1.5191642371,0.1101226888,0.1101226888,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Sb +mp-1211377,KSbCl6,-3.5348048994,-1.493477381,0.0,-0.0597582431,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-K-Sb,16.0,A6BC_mC32_15_3f_e_a:Cl-K-Sb +mp-27241,K2SbCl5,-3.7730934672,-1.8240331629,0.0,-0.0302794347,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Cl-K-Sb,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_9e_5e_e:Cl-K-Sb, expected K5SbCl9 to be K2SbCl5" +mp-10763,KHgSb,-2.2726184067,-0.4249248893,0.0,-0.05998147,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Hg-K-Sb,6.0,ABC_hP6_194_c_a_d:Hg-K-Sb +mp-1019544,BaZrO3,-8.701104963,-3.6397566223,0.000175723,-0.0606589093,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ba-O-Zr,10.0,AB3C_tI20_140_b_ah_c:Ba-O-Zr +mp-3834,BaZrO3,-8.701280686,-3.6399323453,0.0,-0.0608346323,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Zr,5.0,AB3C_cP5_221_a_c_b:Ba-O-Zr +mp-1228078,Ba2ZrO6,-7.0754426722,-2.4014668081,0.3460212799,0.3460212799,GGA,P4/mmm,A2B6C_tP9_123_h_efg_a:Ba-O-Zr,9.0,A2B6C_tP9_123_h_efg_a:Ba-O-Zr +mp-755895,Ba3Zr2O7,-8.310184575,-3.5202556534,0.0,-0.0018844783,GGA,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Ba-O-Zr,12.0,"Invalid WP multiplicities - A3B7C2_tI24_139_ae_b2e3g_e:Ba-O-Zr, expected Ba3Zr2O17 to be Ba3Zr2O7" +mp-769802,Ba2Zr7O16,-9.4306061696,-3.7178512228,0.0268012858,0.0268012858,GGA,R-3,A2B16C7_hR75_148_c_2c2f_af:Ba-O-Zr,25.0,"Invalid WP multiplicities - A2B16C7_hR75_148_c_3c8f_af:Ba-O-Zr, expected Ba2Zr7O54 to be Ba2Zr7O16" +mp-561170,Ba3ZrRu2O9,-7.837933839,-2.6796919103,0.0011475057,0.0011475057,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Zr,30.0,"Invalid WP multiplicities - A3B9C2D_hP30_194_bf_4h5k_f_a:Ba-O-Ru-Zr, expected Ba3Zr(RuO21)2 to be Ba3ZrRu2O9" +mp-8335,Ba2ZrO4,-8.0275996757,-3.4315417679,0.0,-0.0107113714,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-O-Zr,7.0,A2B4C_tI14_139_e_ce_a:Ba-O-Zr +mp-755556,Ba6ZrO8,-7.0353092433,-3.0596385793,0.0480296347,0.0480296347,GGA,Fm-3m,A6B8C_cF60_225_d_ce_a:Ba-O-Zr,15.0,"Invalid WP multiplicities - A6B8C_cF60_225_d_2c3e_a:Ba-O-Zr, expected Ba6ZrO22 to be Ba6ZrO8" +mp-769391,Ba4ZrO6,-7.3295958259,-3.1565292207,0.0541896695,0.0541896695,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ba-O-Zr,22.0,"Invalid WP multiplicities - A4B6C_hR66_167_a2e_f_b:Ba-O-Zr, expected Ba7ZrO6 to be Ba4ZrO6" +mp-6716,Ba4Zr(RuO4)3,-7.731306427,-2.5609527997,0.0,-0.0039382704,GGA,R-3m,A4B12C3D_hR60_166_2c_2h_ac_b:Ba-O-Ru-Zr,20.0,"Invalid WP multiplicities - A4B12C3D_hR60_166_2c_2h_a2c_b:Ba-O-Ru-Zr, expected Ba4ZrRu5O12 to be Ba4Zr(RuO4)3" +mp-31120,DyScO3,-9.1200012305,-3.9641368148,0.0258335094,0.0258335094,GGA,Pnma,AB3C_oP20_62_c_cd_a:Dy-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Dy-O-Sc +mp-1213138,Dy3Sc2Al3O12,-8.6792260314,-3.8251114936,0.0,-0.0113420377,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Al-Dy-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Al-Dy-O-Sc +mp-21081,ScNiB4,-7.0368015042,-0.5651060261,0.0,-0.0592331973,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ni-Sc,24.0,A4BC_oP24_55_4h_g_g:B-Ni-Sc +mp-862360,Sc2NiIr,-7.62808756,-0.8072102925,0.0,-0.0243887725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ni-Sc,4.0,ABC2_cF16_225_a_b_c:Ir-Ni-Sc +mp-647205,Sc2(Ni7B2)3,-6.3847947562,-0.3805134074,0.0,-0.0158641387,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Sc,29.0,A6B21C2_cF116_225_e_afh_c:B-Ni-Sc +mp-1209056,Sc2NiB2Ir5,-8.284694481,-0.6850915478,0.0,-0.0231388473,GGA,P4/mbm,A2B5CD2_tP20_127_g_cj_a_g:B-Ir-Ni-Sc,20.0,A2B5CD2_tP20_127_g_cj_a_g:B-Ir-Ni-Sc +mp-1194311,Sc3(Ni10B3)2,-6.4615368493,-0.4382095548,0.0,-0.0265128278,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Sc,29.0,A6B20C3_cF116_225_e_fh_ac:B-Ni-Sc +mp-978504,SmGaO3,-7.431014212,-2.9136645537,0.2101929911,0.2101929911,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Sm,5.0,AB3C_cP5_221_b_c_a:Ga-O-Sm +mp-31110,Sm3GaO6,-8.190317625,-3.5039189555,0.0,-0.0127587136,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Sm,20.0,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Sm +mp-1214554,Ba6Sm2Ga4O15,-6.9369999078,-2.96426892,0.0,-0.0154257062,GGA,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Sm,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Sm +mp-5800,Sm3Ga5O12,-7.366651992099999,-2.9338268395,0.0,-0.0469873391,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Sm,80.0,A5B12C3_cI160_230_ad_h_c:Ga-O-Sm +mp-27758,AlTl2F5,-5.2282069225,-2.9746748024,0.0009720794,-0.0203287228,GGA,Cmcm,AB5C2_oC32_63_a_cef_g:Al-F-Tl,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_a_2c2e2f_g:Al-F-Tl, expected AlTl2F10 to be AlTl2F5" +mp-504676,AlTl2F5,-5.2246987594,-2.9711666393,0.0044802425,-0.0168205597,GGA,Cmcm,AB5C2_oC32_63_a_cef_g:Al-F-Tl,16.0,AB5C2_oC32_63_a_cef_g:Al-F-Tl +mp-1183276,AlTl2F5,-5.2288138944,-2.9752817743,0.0003651075,-0.0209356947,GGA,Cmcm,AB5C2_oC32_63_a_cef_g:Al-F-Tl,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_a_2c2e4f_g:Al-F-Tl, expected AlTl2F14 to be AlTl2F5" +mp-1539038,AlTl2F5,-5.2291790019,-2.9756468818,0.0,-0.0213008022,GGA,P4/mmm,AB5C2_tP8_123_a_bj_e:Al-F-Tl,16.0,"Invalid WP multiplicities - AB5C2_tP8_123_a_2b2j_e:Al-F-Tl, expected AlTl2F10 to be AlTl2F5" +mp-3751,AlTlF4,-5.5758811083,-3.2835253006,0.0,-0.0096374617,GGA,C2/c,AB4C_mC24_15_c_2f_e:Al-F-Tl,12.0,AB4C_mC24_15_a_2f_e:Al-F-Tl +mp-5606,AlTlF4,-5.5740208483,-3.2816650406,0.00186026,-0.0077772017,GGA,P4/mmm,AB4C_tP6_123_b_eg_c:Al-F-Tl,6.0,AB4C_tP6_123_b_eg_c:Al-F-Tl +mp-557233,AlTlF4,-5.5747749908,-3.2824191831,0.0011061175,-0.0085313442,GGA,I4/mcm,AB4C_tI24_140_c_fh_b:Al-F-Tl,12.0,"Invalid WP multiplicities - AB4C_tI24_140_c_3f2h_b:Al-F-Tl, expected AlTlF10 to be AlTlF4" +mp-1113654,Rb2AlTlF6,-5.146998747,-3.1931826543,0.0,-0.0038553209,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-Rb-Tl +mp-18447,K3Na2SnAs3,-3.1303234522,-0.467748508,0.0,-0.037594152,GGA,Cmce,A3B3C2D_oC72_64_fg_fg_2d_d:As-K-Na-Sn,36.0,"Invalid WP multiplicities - A3B3C2D_oC72_64_fg_2f2g_3d_d:As-K-Na-Sn, expected K6Na3SnAs3 to be K3Na2SnAs3" +mp-1190131,LaScS3,-7.115150941,-2.3795857789,0.0,-0.0250830543,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-S-Sc,20.0,AB3C_oP20_62_c_cd_a:La-S-Sc +mp-866696,La3ScBeS7,-6.6822025271,-2.1959481643,0.0528989883,0.0528989883,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Sc,24.0,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Sc +mp-10093,Sr2YbNbO6,-7.6481541585,-3.1781509091,0.0204044633,0.0204044633,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Nb-O-Sr-Yb,,AB6C2D_mP20_14_a_3e_e_b:Nb-O-Sr-Yb +mp-1187578,YbNbO3,-8.468985888,-3.1727899973,0.0184354945,0.0184354945,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nb-O-Yb,,AB3C_cP5_221_b_c_a:Nb-O-Yb +mp-5466,YbNbO4,-8.2726145517,-3.0346698575,0.0108291125,-0.0540702767,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Yb,,AB4C_mC24_15_e_2f_e:Nb-O-Yb +mp-1929396,YbNbO4,-8.2834436642,-3.04549897,0.0,-0.0648993892,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Nb-O-Yb,,AB4C_mC24_15_e_2f_e:Nb-O-Yb +mp-1222369,LiCoNiF6,-5.37690713,-2.4584347804,0.0026597372,0.0026597372,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Co-F-Li-Ni,18.0,AB6CD_tP18_102_a_3c_a_a:Co-F-Li-Ni +mp-781757,TaNbO5,-9.8136895114,-3.143328622,0.0424687773,0.0424687773,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Nb-O-Ta,56.0,"Invalid WP multiplicities - AB5C_mP56_14_3e_37e_7e:Nb-O-Ta, expected Ta7Nb3O37 to be TaNbO5" +mp-756127,TaNbO5,-9.8170790325,-3.146718143,0.0390792563,0.0390792563,GGA,Pnma,AB5C_oP28_62_c_a2cd_c:Nb-O-Ta,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_2a6c4d_c:Nb-O-Ta, expected TaNbO16 to be TaNbO5" +mp-1214029,Ca3NbO6,-7.6916159195,-3.1117922248,0.0519353439,0.0519353439,GGA,P2_1/c,A3BC6_mP20_14_ae_d_3e:Ca-Nb-O,20.0,A3BC6_mP20_14_ae_b_3e:Ca-Nb-O +mp-780456,Ta2Nb3O12,-9.7740760396,-3.1046798681,0.0424105804,0.0424105804,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Nb-O-Ta,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_5e:Nb-O-Ta, expected Ta5Nb9O45 to be Ta2Nb3O12" +mp-555924,Ca5Nb5O17,-8.6310817019,-3.2744804912,0.0087368273,0.0087368273,GGA,P2_1/c,A5B5C17_mP108_14_5e_ab4e_17e:Ca-Nb-O,108.0,"Invalid WP multiplicities - A5B5C17_mP108_14_19e_2a2b15e_66e:Ca-Nb-O, expected Ca19Nb17O66 to be Ca5Nb5O17" +mp-29792,CaNb2O4,-9.0240955414,-3.024814855,0.0,-0.0974296781,GGA,Pbcm,AB2C4_oP28_57_d_cd_2de:Ca-Nb-O,28.0,AB2C4_oP28_57_d_cd_2de:Ca-Nb-O +mp-530194,Ca4Nb2O9,-8.1648041123,-3.3151235789,0.0208107708,-0.0145702682,GGA,P1,A4B2C9_aP60_1_16a_8a_36a:Ca-Nb-O,60.0,A4B2C9_aP60_1_16a_8a_36a:Ca-Nb-O +mp-531051,Ca4Nb2O9,-8.1654516115,-3.3157710781,0.0201632717,-0.0152177673,GGA,P-1,A4B2C9_aP60_2_ab7i_df3i_18i:Ca-Nb-O,60.0,"Invalid WP multiplicities - A4B2C9_aP60_2_ab13i_df6i_34i:Ca-Nb-O, expected Ca14Nb7O34 to be Ca4Nb2O9" +mp-760244,Ca4Nb2O9,-8.1692672967,-3.3195867633,0.0163475865,-0.0190334525,GGA,P2_1/c,A4B2C9_mP60_14_4e_abe_9e:Ca-Nb-O,60.0,"Invalid WP multiplicities - A4B2C9_mP60_14_12e_2a2b3e_32e:Ca-Nb-O, expected Ca12Nb5O32 to be Ca4Nb2O9" +mp-31016,Ca4Nb2O9,-8.1856148832,-3.3359343498,0.0,-0.035381039,GGA,P2_1/c,A4B2C9_mP60_14_ad3e_2e_9e:Ca-Nb-O,60.0,"Invalid WP multiplicities - A4B2C9_mP60_14_2a2d4e_3e_11e:Ca-Nb-O, expected Ca6Nb3O11 to be Ca4Nb2O9" +mp-1043434,Ca2TaNb2O8,-8.8607184531,-3.0418648254,0.2177334268,0.2177334268,GGA,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:Ca-Nb-O-Ta,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_4i_4i_16i_i:Ca-Nb-O-Ta, expected Ca4TaNb4O16 to be Ca2TaNb2O8" +mp-1213992,CaNbO2,-7.8677598287,-2.3676892431,0.4990046021,0.4990046021,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ca-Nb-O,16.0,ABC2_tI32_141_c_d_h:Ca-Nb-O +mp-13979,Ca2Nb2O7,-8.6474825748,-3.2983343185000003,0.0,-0.0156096511,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Ca-Nb-O,44.0,A2B2C7_mP44_4_4a_4a_14a:Ca-Nb-O +mp-560040,Ca2Nb2O7,-8.6473894011,-3.2982411449,9.31736e-05,-0.0155164774,GGA,Pna2_1,A2B2C7_oP88_33_4a_4a_14a:Ca-Nb-O,88.0,"Invalid WP multiplicities - A2B2C7_oP88_33_9a_10a_49a:Ca-Nb-O, expected Ca9Nb10O49 to be Ca2Nb2O7" +mp-4155,Ca2Nb2O7,-8.6060213536,-3.2568730974,0.0414612211,0.0258515701,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Ca-Nb-O,22.0,A2B2C7_cF88_227_c_d_af:Ca-Nb-O +mp-1227135,Ca4Nb6O21,-8.3748775713,-2.8100165166,0.2407117506,0.2407117506,GGA,Cmm2,A4B6C21_oC62_35_2a2b_3c_a4c3d3e:Ca-Nb-O,31.0,A4B6C21_oC62_35_2a2b_3c_a4c3d3e:Ca-Nb-O +mp-1227103,CaNb4O14,-8.1652752858,-2.2881983386,0.3639725973,0.3639725973,GGA,R-3m,AB4C14_hR57_166_b_ad_c2h:Ca-Nb-O,19.0,"Invalid WP multiplicities - AB4C14_hR57_166_b_ad_c9h:Ca-Nb-O, expected CaNb4O56 to be CaNb4O14" +mp-1227240,CaNb4O8,-9.2742787559,-2.9677918536,0.0,-0.0012870594,GGA,Cm,AB4C8_mC78_8_3a_4a4b_12b:Ca-Nb-O,39.0,"Invalid WP multiplicities - AB4C8_mC78_8_3a_4a6b_23b:Ca-Nb-O, expected Ca3Nb16O46 to be CaNb4O8" +mp-532358,CaNb4O8,-9.2737673115,-2.9672804092,0.0005114444,-0.000775615,GGA,Pmmn,AB4C8_oP78_59_3a_4b2g_4e4g:Ca-Nb-O,78.0,"Invalid WP multiplicities - AB4C8_oP78_59_5a_7b7g_15e15g:Ca-Nb-O, expected CaNb7O18 to be CaNb4O8" +mp-4957,CaNbO3,-8.547165728,-3.1577715173,0.0589310008,0.0589310008,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Nb-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Nb-O +mp-17101,CaNb2O6,-9.0037546242,-3.2383832656,0.0,-0.0424123825,GGA,Pbcn,AB2C6_oP36_60_c_d_3d:Ca-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_4d:Ca-Nb-O, expected CaNb2O8 to be CaNb2O6" +mp-1206910,CoAgF3,-4.771893986,-1.6368318458000002,0.26776489,0.26776489,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Co-F,5.0,ABC3_cP5_221_a_b_c:Ag-Co-F +mp-1206915,CoAgF3,-3.983622284,-0.8485601438,1.056036592,1.056036592,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Ag-Co-F,5.0,ABC3_cP5_221_b_a_c:Ag-Co-F +mp-1110611,Rb2CoAgF6,-4.698676335,-2.3615947602,0.018308981,0.018308981,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Rb +mp-1247507,MgScMoS4,-6.518608975,-1.4722948704,0.188376555,0.188376555,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mo-S-Sc,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mo-S-Sc, expected MgScMoS12 to be MgScMoS4" +mp-1232120,Mg(ScS2)2,-6.2984319014,-1.8968579404,0.1727554379,0.1643291054,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Sc,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-S-Sc +mp-1232123,Mg(ScS2)2,-6.4057534986,-2.0041795375,0.0654338407,0.0570075082,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Sc,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-S-Sc +mp-1232118,Mg(ScS2)2,-6.4091674404,-2.0075934793,0.0620198989,0.0535935664,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Sc,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-S-Sc +mp-1232130,Mg(ScS2)2,-6.397143625,-1.9955696639,0.0740437143,0.0656173818,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Sc,28.0,AB4C2_oP28_62_c_4c_2c:Mg-S-Sc +mp-1232149,Mg(ScS2)2,-6.1748697468,-1.7732957857,0.2963175925,0.28789126,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Sc,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-S-Sc +mp-1232119,Mg(ScS2)2,-6.3127610729,-1.9111871118,0.1584262664,0.1499999339,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Sc,14.0,AB4C2_tI28_122_a_e_d:Mg-S-Sc +mp-14307,Mg(ScS2)2,-6.4711873393,-2.0696133782,0.0,-0.0084263325,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Sc,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Sc +mp-1232175,MgScS3,-5.549591523,-1.4811717719000002,0.3170987255,0.3170987255,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Sc,10.0,AB3C_mC20_12_g_ij_i:Mg-S-Sc +mp-1232226,MgScS3,-5.652508107,-1.5840883559,0.2141821415,0.2141821415,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-S-Sc,30.0,AB3C_hR30_148_c_f_c:Mg-S-Sc +mp-1247027,Mg2Sc3MoS8,-6.495704155,-1.7717601221,0.0933822796,0.0933822796,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mo-S-Sc,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mo-S-Sc, expected Mg2Sc3MoS22 to be Mg2Sc3MoS8" +mp-1247091,Mg2ScMo3S8,-6.539333545,-1.1706493686,0.2855510804,0.2855510804,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-Sc,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-Sc, expected Mg2ScMo3S16 to be Mg2ScMo3S8" +mp-1228401,Ca3GdAl8,-4.5497298683,-0.3782691583,0.0040333404,0.0040333404,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Al-Ca-Gd,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Al-Ca-Gd, expected Ca3GdAl20 to be Ca3GdAl8" +mp-1227092,CaGdAlO4,-9.2321783743,-3.573027975,0.0266409102,0.0266409102,GGA,I4mm,ABCD4_tI14_107_a_a_a_2ab:Al-Ca-Gd-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Al-Ca-Gd-O +mp-36254,Cs2TaS6,-5.1136542278,-0.8395118305,0.4036378404,0.4036378404,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-S-Ta,9.0,A2B6C_hP9_164_d_i_a:Cs-S-Ta +mp-14578,Cs4Ta2S11,-5.563431985,-1.2811900271,0.0065836841,0.0065836841,GGA,Pca2_1,A4B11C2_oP68_29_4a_11a_2a:Cs-S-Ta,68.0,"Invalid WP multiplicities - A4B11C2_oP68_29_4a_13a_2a:Cs-S-Ta, expected Cs4Ta2S13 to be Cs4Ta2S11" +mp-1225870,CsTaS3,-6.472226546,-1.4397206255,0.0,-0.0156072211,GGA,P6_3mc,AB3C_hP10_186_b_c_a:Cs-S-Ta,10.0,AB3C_hP10_186_b_c_a:Cs-S-Ta +mp-556091,Cs3Ta2S11,-5.7230789197,-1.2291594877,0.0,-0.0349031702,GGA,P2_1/c,A3B11C2_mP64_14_3e_11e_2e:Cs-S-Ta,64.0,"Invalid WP multiplicities - A3B11C2_mP64_14_10e_41e_5e:Cs-S-Ta, expected Cs10Ta5S41 to be Cs3Ta2S11" +mp-17054,Cs3TaS4,-5.4418313213000005,-1.5556082945,0.0,-0.2332688538,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Cs-S-Ta,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_c2d_2cd_c:Cs-S-Ta, expected Cs5TaS4 to be Cs3TaS4" +mp-865606,CsTaGeS5,-5.9303679494,-1.1730608004,0.0,-0.0146464016,GGA,P-1,ABC5D_aP16_2_i_i_5i_i:Cs-Ge-S-Ta,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_i_9i_i:Cs-Ge-S-Ta, expected CsTaGeS9 to be CsTaGeS5" +mp-1113303,Cs2HgBiI6,-2.593032221,-1.1155149871,0.036110085,0.036110085,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Hg-I,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Hg-I +mp-1219943,Pb2SeS,-4.543292905,-0.7788790339,0.0117034175,0.0117034175,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Pb-S-Se,4.0,A2BC_tP4_123_ad_b_c:Pb-S-Se +mp-1219926,Pb2SeS,-4.5507480025,-0.7863341314000001,0.00424832,0.00424832,GGA,R-3m,A2BC_hR12_166_c_a_b:Pb-S-Se,4.0,A2BC_hR12_166_c_a_b:Pb-S-Se +mp-1221608,Mo6Pb(SeS)4,-7.4406541787,-0.8195879715000001,0.0635690073,0.0635690073,GGA,P1,A6BC4D4_aP15_1_6a_a_4a_4a:Mo-Pb-S-Se,15.0,A6BC4D4_aP15_1_6a_a_4a_4a:Mo-Pb-S-Se +mp-1219960,Pb4SeS3,-4.6284208675,-0.7839396977,0.0036136413,0.0036136413,GGA,R-3m,A4B3C_hR24_166_2c_ac_b:Pb-S-Se,8.0,"Invalid WP multiplicities - A4B3C_hR24_166_2c_a2c_b:Pb-S-Se, expected Pb4SeS5 to be Pb4SeS3" +mp-1219970,Pb4Se3S,-4.471463765,-0.7871171925,0.0064943713,0.0064943713,GGA,P4/mmm,A4BC3_tP8_123_abh_c_dg:Pb-S-Se,8.0,"Invalid WP multiplicities - A4BC3_tP8_123_ab2h_c_d2g:Pb-S-Se, expected Pb6Se5S to be Pb4Se3S" +mp-1104554,Mo6PbS8,-7.7206315273,-0.928755083,0.032489316,0.032489316,GGA,P-1,A6BC8_aP15_2_3i_a_4i:Mo-Pb-S,15.0,A6BC8_aP15_2_3i_a_4i:Mo-Pb-S +mp-555066,Mo6PbS8,-7.72150842,-0.9296319757,0.0316124233,0.0316124233,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Pb-S,15.0,"Invalid WP multiplicities - A6BC8_hR45_148_f_a_2c3f:Mo-Pb-S, expected Mo6PbS22 to be Mo6PbS8" +mp-1017626,LiCaF3,-5.543299104,-3.6135071742,0.187439322,0.187439322,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-F-Li,5.0,AB3C_cP5_221_a_c_b:Ca-F-Li +mp-867805,LiCa2Ga,-2.50773066,-0.2706759977,0.0,-0.0149204928,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Ca-Ga-Li +mp-1097331,Li2CaGa,-0.984947845,1.227937564,1.4754071752,1.4754071752,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Ga-Li,4.0,ABC2_oI8_71_a_b_e:Ca-Ga-Li +mp-12829,LiCaGaF6,-5.5095706389,-3.4638492418,0.0,-0.0333272884,GGA,P-31c,AB6CD_hP18_163_b_i_c_d:Ca-F-Ga-Li,18.0,AB6CD_hP18_163_b_i_c_d:Ca-F-Ga-Li +mp-1226313,CrMoO3,-8.717012552,-1.6492598093000002,0.4444972862,0.4444972862,GGA+U,R3,ABC3_hR15_146_a_a_b:Cr-Mo-O,5.0,ABC3_hR15_146_a_a_b:Cr-Mo-O +mp-704707,Cr2(MoO4)3,-8.6327928215,-2.0914216565,0.003123397,-0.0359469631,GGA+U,P2_1/c,A2B3C12_mP136_14_4e_6e_24e:Cr-Mo-O,136.0,"Invalid WP multiplicities - A2B3C12_mP136_14_10e_21e_95e:Cr-Mo-O, expected Cr10Mo21O95 to be Cr2(MoO4)3" +mp-647862,Cr2(MoO4)3,-8.6359162185,-2.0945450535,0.0,-0.0390703601,GGA+U,Pbcn,A2B3C12_oP68_60_d_cd_6d:Cr-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_60_d_3c4d_42d:Cr-Mo-O, expected Cr2Mo11O84 to be Cr2(MoO4)3" +mp-31230,Tl2Cr2O7,-6.8973572086,-1.5647933712,0.0547480564,0.0547480564,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Cr-O-Tl,22.0,A2B7C2_aP22_2_2i_7i_2i:Cr-O-Tl +mp-561221,TlCr3O8,-7.6877548304,-1.7798135599,0.0,-0.0041958164,GGA+U,C2/m,A3B8C_mC24_12_ai_2ij_c:Cr-O-Tl,24.0,A3B8C_mC24_12_ai_2ij_d:Cr-O-Tl +mp-9754,Tl2Cr3O12,-6.9108519728,-1.4376347235,0.0,-0.0128499813,GGA+U,Pbcn,A3B12C2_oP68_60_cd_6d_d:Cr-O-Tl,68.0,"Invalid WP multiplicities - A3B12C2_oP68_60_cd_7d_d:Cr-O-Tl, expected Tl2Cr3O14 to be Tl2Cr3O12" +mp-1213733,CrMoO4,-8.88203849,-2.1677964192,0.0,-0.0155073131,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Cr-Mo-O,6.0,ABC4_oC12_65_a_c_gj:Cr-Mo-O +mp-1193772,Tl2CrO4,-6.3942972725,-1.5135703285000002,0.0143330181,0.0143330181,GGA+U,C2/m,AB4C2_mC56_12_2i_4i2j_4i:Cr-O-Tl,28.0,AB4C2_mC56_12_2i_4i2j_4i:Cr-O-Tl +mp-16892,Tl2CrO4,-6.3967030732,-1.5159761292,0.0119272174,0.0119272174,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_2c:Cr-O-Tl,28.0,AB4C2_oP28_62_c_2cd_2c:Cr-O-Tl +mp-706518,TlCrO4,-6.7860755198,-1.4856679428,0.0154198114,0.0154198114,GGA+U,Pnma,AB4C_oP48_62_2c_4c2d_2c:Cr-O-Tl,48.0,"Invalid WP multiplicities - AB4C_oP48_62_4c_16c14d_4c:Cr-O-Tl, expected TlCrO11 to be TlCrO4" +mp-674480,Cr14MoO24,-9.0493870969,-2.2619808467,0.0657318066,0.0657318066,GGA+U,P-1,A14BC24_aP39_2_7i_a_12i:Cr-Mo-O,39.0,"Invalid WP multiplicities - A14BC24_aP39_2_13i_a_22i:Cr-Mo-O, expected Cr26MoO44 to be Cr14MoO24" +mp-645568,TlCr(MoO4)2,-8.0798618723,-1.9731534951,0.0,-0.004688521,GGA+U,Pnma,AB2C8D_oP48_62_c_2c_4c2d_c:Cr-Mo-O-Tl,48.0,"Invalid WP multiplicities - AB2C8D_oP48_62_c_6c_14c12d_c:Cr-Mo-O-Tl, expected TlCr(Mo3O19)2 to be TlCr(MoO4)2" +mp-1105306,TlCrO3,-7.067328762,-1.6961774119,0.0398642965,0.0398642965,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Tl,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Tl +mp-997089,NaAuO2,-4.7355475275,-1.1131013485,0.0,-0.1211110377,GGA,C2/m,ABC2_mC8_12_a_c_i:Au-Na-O,4.0,ABC2_mC8_12_a_c_i:Au-Na-O +mp-20343,NaAuO2,-4.7092248275,-1.0867786485,0.0263226999999999,-0.0947883377,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-Na-O,8.0,ABC2_oC16_63_c_c_f:Au-Na-O +mp-23054,NaBiO3,-5.595388328,-1.5947722166,0.0,-0.0796973649,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-Na-O,10.0,ABC3_hR30_148_c_c_f:Bi-Na-O +mp-557830,Na2Bi5AuO11,-5.6488895711,-1.4628393573,0.0694817934,0.0694817934,GGA,P4/mbm,AB5C2D11_tP38_127_a_dj_g_ch2i:Au-Bi-Na-O,38.0,"Invalid WP multiplicities - AB5C2D11_tP38_127_a_d2j_g_2c3h14i:Au-Bi-Na-O, expected Na2Bi9AuO64 to be Na2Bi5AuO11" +mp-1147644,Na(AuO2)2,-4.66911309,-0.7181067845,0.0817428329,0.0817428329,GGA,P4_2/mmc,A2BC4_tP14_131_j_c_n:Au-Na-O,14.0,A2BC4_tP14_131_j_c_n:Au-Na-O +mp-773826,Na8Bi5O14,-5.3247614631,-1.6567507241,0.0645941178,0.0645941178,GGA,P-1,A5B8C14_aP54_2_5i_be7i_14i:Bi-Na-O,54.0,"Invalid WP multiplicities - A5B8C14_aP54_2_9i_be14i_27i:Bi-Na-O, expected Na5(BiO3)3 to be Na8Bi5O14" +mp-887525,Na8Bi5O14,-4.3806564591,-0.71264572,1.0086991219,1.0086991219,GGA,P-1,A5B8C14_aP54_2_5i_be7i_14i:Bi-Na-O,54.0,"Invalid WP multiplicities - A5B8C14_aP54_2_9i_be14i_27i:Bi-Na-O, expected Na5(BiO3)3 to be Na8Bi5O14" +mp-780246,Na2Bi4O7,-5.7451155169,-1.6963595103,0.0096265077,0.0096265077,GGA,C2/c,A4B2C7_mC52_15_2f_f_e3f:Bi-Na-O,26.0,"Invalid WP multiplicities - A4B2C7_mC52_15_7f_f_2e11f:Bi-Na-O, expected NaBi7O12 to be Na2Bi4O7" +mp-780705,Na(Bi3O5)4,-5.9978899736,-1.5632787894,0.0764169498,0.0764169498,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Na-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_6c5f:Bi-Na-O, expected Na(BiO7)12 to be Na(Bi3O5)4" +mp-777789,Na11Bi5O16,-5.1943543953,-1.6663155435,0.0716707158,0.0716707158,GGA,P4_232,A5B11C16_cP64_208_be_cfh_adm:Bi-Na-O,64.0,"Invalid WP multiplicities - A5B11C16_cP64_208_3b3e_3c4f5h_2a5d7m:Bi-Na-O, expected Na48Bi15O101 to be Na11Bi5O16" +mp-27345,Na3BiO4,-5.1822722919,-1.73291981,0.0,-0.0799103906,GGA,P2/c,AB3C4_mP16_13_e_e2f_2g:Bi-Na-O,16.0,"Invalid WP multiplicities - AB3C4_mP16_13_e_2e3f_2g:Bi-Na-O, expected Na5BiO4 to be Na3BiO4" +mp-752910,Na3BiO4,-5.1459810025,-1.6966285206,0.0362912894,-0.0436191013,GGA,Cmmm,AB3C4_oC16_65_a_bf_gj:Bi-Na-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_b2f_2g2j:Bi-Na-O, expected Na5BiO8 to be Na3BiO4" +mp-1078709,Na2BiAu,-2.82594393,-0.3860885008,0.0,-0.0281830303,GGA,Cmcm,ABC2_oC16_63_a_c_g:Au-Bi-Na,8.0,ABC2_oC16_63_a_c_g:Au-Bi-Na +mp-618309,Bi2AuO5,-5.7226175075,-1.2615795305,0.0,-0.0186150505,GGA,P4/ncc,AB2C5_tP32_130_c_f_bg:Au-Bi-O,32.0,"Invalid WP multiplicities - AB2C5_tP32_130_c_f_2b3g:Au-Bi-O, expected Bi2AuO14 to be Bi2AuO5" +mp-28365,Na3AuO2,-4.1818447612,-1.3260388774,0.0,-0.0709371905,GGA,P4_2/mnm,AB3C2_tP24_136_f_gi_i:Au-Na-O,24.0,"Invalid WP multiplicities - AB3C2_tP24_136_f_3g2i_i:Au-Na-O, expected Na7AuO2 to be Na3AuO2" +mp-1102124,Na8BiO3,-3.3333389783,-0.8949425107000001,0.278392195,0.278392195,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:Bi-Na-O,12.0,AB8C3_cP12_221_a_g_c:Bi-Na-O +mp-997082,BiAuO2,-5.3829355425,-1.1309984044,0.0384930218,0.0384930218,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Au-Bi-O,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Au-Bi-O, expected BiAuO3 to be BiAuO2" +mp-857352,Na4Bi2O5,-5.1434534405,-1.7157695323,0.0138151561,0.0138151561,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Bi-Na-O,22.0,"Invalid WP multiplicities - A2B4C5_aP22_2_3i_7i_9i:Bi-Na-O, expected Na7(BiO3)3 to be Na4Bi2O5" +mp-780721,Na4Bi2O5,-5.091740263,-1.6640563548,0.0655283336,0.0655283336,GGA,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Bi-Na-O,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_3e_15e_19e:Bi-Na-O, expected Na15Bi3O19 to be Na4Bi2O5" +mp-780428,Na4Bi2O5,-5.0677407027,-1.6400567945,0.0895278939,0.0895278939,GGA,Pnna,A2B4C5_oP44_52_e_cde_c2e:Bi-Na-O,44.0,"Invalid WP multiplicities - A2B4C5_oP44_52_e_2c4d3e_2c7e:Bi-Na-O, expected Na6BiO8 to be Na4Bi2O5" +mp-557498,NaBi2AuO5,-5.537725175,-1.4254108295,0.0,-0.0069821222,GGA,P4/mbm,AB2CD5_tP36_127_ad_j_g_h2i:Au-Bi-Na-O,36.0,"Invalid WP multiplicities - AB2CD5_tP36_127_a2d_j_g_3h9i:Au-Bi-Na-O, expected Na2Bi4(AuO14)3 to be NaBi2AuO5" +mp-777268,Na(BiO2)2,-5.7053059211,-1.5924118642,0.0780113327,0.0780113327,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Bi-Na-O, expected NaBi5O13 to be Na(BiO2)2" +mp-760400,Na5BiO5,-4.87825898,-1.6794808751,0.0,-0.0267319841,GGA,C2/m,AB5C5_mC22_12_a_c2i_b2i:Bi-Na-O,11.0,"Invalid WP multiplicities - AB5C5_mC22_12_b_c3i_a3i:Bi-Na-O, expected Na7BiO7 to be Na5BiO5" +mp-22984,NaBiO2,-5.4973823262,-1.7332843648,0.0,-0.0260359774,GGA,C2/c,ABC2_mC16_15_e_e_f:Bi-Na-O,8.0,ABC2_mC16_15_e_e_f:Bi-Na-O +mp-756721,NaBi5O8,-5.94470689,-1.6519582733,0.0306291618,0.0306291618,GGA,P-1,A5BC8_aP28_2_5i_i_8i:Bi-Na-O,28.0,"Invalid WP multiplicities - A5BC8_aP28_2_9i_i_15i:Bi-Na-O, expected Na(Bi3O5)3 to be NaBi5O8" +mp-780238,NaBi5O8,-5.9144526837,-1.6217040671,0.060883368,0.060883368,GGA,Pc,A5BC8_mP56_7_10a_2a_16a:Bi-Na-O,56.0,A5BC8_mP56_7_20a_4a_32a:Bi-Na-O +mp-768915,Na3AuO3,-4.5274748411,-1.3729714105,0.0,-0.1128314251,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Au-Na-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Au-Na-O, expected Na8AuO7 to be Na3AuO3" +mp-559422,Bi4Au2O9,-5.7457446555,-1.3170833941,0.0,-0.0307683258,GGA,Pbca,A2B4C9_oP120_61_2c_4c_9c:Au-Bi-O,120.0,"Invalid WP multiplicities - A2B4C9_oP120_61_8c_23c_61c:Au-Bi-O, expected Bi23Au8O61 to be Bi4Au2O9" +mp-1173808,Na2(BiO2)21,-5.9611248502,-1.4833364165,0.0494257272,0.0494257272,GGA,C2/m,A21B2C42_mC130_12_abcef2gh2j_h_3i9j:Bi-Na-O,65.0,"Invalid WP multiplicities - A21B2C42_mC130_12_abc2e2f4g2h7j_h_6i34j:Bi-Na-O, expected Na2Bi51O148 to be Na2(BiO2)21" +mp-777964,Na2BiO3,-5.2606692658,-1.7064016241000002,0.0332734517,0.0266397042,GGA,C2/m,AB2C3_mC24_12_g_adh_ij:Bi-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_adh_2ij:Bi-Na-O, expected Na2BiO4 to be Na2BiO3" +mp-780618,Na2BiO3,-5.2236471592,-1.6693795174,0.0702955583,0.0636618108,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Bi-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_3c_5c:Bi-Na-O, expected Na3BiO5 to be Na2BiO3" +mp-761686,Na2BiO3,-5.2939427175,-1.7396750757,0.0,-0.0066337475,GGA,C2/c,AB2C3_mC48_15_2e_cef_3f:Bi-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_4e_2ae3f_11f:Bi-Na-O, expected Na9(Bi2O11)2 to be Na2BiO3" +mp-759968,Na2BiO3,-5.2917094858,-1.7374418441,0.0022332317,-0.0044005158,GGA,C2/c,AB2C3_mC24_15_e_2e_cf:Bi-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_3e_2a3f:Bi-Na-O, expected Na3BiO8 to be Na2BiO3" +mp-780656,Na2BiO3,-5.2934013225,-1.7391336807000002,0.000541395,-0.0060923525,GGA,Fdd2,AB2C3_oF96_43_2a_4a_3b:Bi-Na-O,24.0,AB2C3_oF96_43_4a_8a_6b:Bi-Na-O +mp-1176406,Na2BiO3,-5.2606867821,-1.7064191403,0.0332559354,0.0266221879,GGA,Fddd,AB2C3_oF96_70_e_2e_fh:Bi-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oF96_70_e_5e_2f2h:Bi-Na-O, expected Na5BiO6 to be Na2BiO3" +mp-761090,Na3BiO3,-4.9261778125,-1.6907305062,0.0367400814,-0.0342773507,GGA,P-1,AB3C3_aP56_2_4i_12i_12i:Bi-Na-O,56.0,"Invalid WP multiplicities - AB3C3_aP56_2_7i_23i_23i:Bi-Na-O, expected Na23Bi7O23 to be Na3BiO3" +mp-27914,Na3BiO3,-4.9629178939,-1.7274705876,0.0,-0.0710174321,GGA,I-43m,AB3C3_cI56_217_c_g_g:Bi-Na-O,28.0,AB3C3_cI56_217_c_g_g:Bi-Na-O +mp-755525,TmTiO3,-9.096499389,-3.6542206742,0.0611553202,0.0611553202,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ti-Tm,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:O-Ti-Tm, expected TmTiO7 to be TmTiO3" +mp-771323,Tm2Ti2O7,-9.2058572798,-3.8086322017,0.0,-0.004629125,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Ti-Tm,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:O-Ti-Tm, expected Tm7Ti7O27 to be Tm2Ti2O7" +mp-38418,Tm2Ti2O7,-9.1845054436,-3.7872803656,0.0213518361,0.0167227111,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ti-Tm,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Ti-Tm, expected TmTiO10 to be Tm2Ti2O7" +mp-1207960,Tm2MgTiO6,-8.540157706,-3.7274001879,0.0170653813,0.0170653813,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mg-O-Ti-Tm,20.0,AB6CD2_mP20_14_a_3e_b_e:Mg-O-Ti-Tm +mp-778664,Tm5Ti5O17,-9.1054932872,-3.6999249431,0.094131129,0.094131129,GGA,Pmn2_1,A17B5C5_oP54_31_17a_5a_5a:O-Ti-Tm,54.0,A17B5C5_oP54_31_34a_10a_10a:O-Ti-Tm +mp-530245,Tm2TiO5,-8.9390244484,-3.741448646,0.1756232406,0.1562055872,GGA,Cm,A5BC2_mC128_8_16a12b_8a_4a6b:O-Ti-Tm,64.0,"Invalid WP multiplicities - A5BC2_mC128_8_16a24b_8a_4a11b:O-Ti-Tm, expected Tm13Ti4O32 to be Tm2TiO5" +mp-755948,Tm2TiO5,-9.0338316944,-3.8362558919,0.0808159947,0.0613983413,GGA,C2/c,A5BC2_mC32_15_e2f_a_f:O-Ti-Tm,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_2e4f_c_f:O-Ti-Tm, expected Tm2TiO10 to be Tm2TiO5" +mp-768243,Tm2TiO5,-9.0817432859,-3.8841674835,0.0329044031,0.0134867497,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ti-Tm,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_17c_c_5c:O-Ti-Tm, expected Tm5TiO17 to be Tm2TiO5" +mp-28076,K3Mn2Cl7,-4.7628446167,-1.8799292796,0.0118082821,0.0118082821,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:Cl-K-Mn,12.0,"Invalid WP multiplicities - A7B3C2_tI24_139_a2eg_be_e:Cl-K-Mn, expected K3Mn2Cl9 to be K3Mn2Cl7" +mp-1212009,KZr6MnCl14,-6.0205581725,-2.0460976607,0.0,-0.0298626358,GGA,Cmce,A14BCD6_oC88_64_def2g_a_b_fg:Cl-K-Mn-Zr,44.0,A14BCD6_oC88_64_def2g_a_b_fg:Cl-K-Mn-Zr +mp-27304,K2MnCl6,-4.3144275567,-1.8173127627,0.0,-0.3052394725,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Mn,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Mn +mp-27585,K2Zr7Cl18,-5.6419727674,-2.1112926865,0.0171598748,0.0171598748,GGA,R-3,A18B2C7_hR81_148_3f_c_af:Cl-K-Zr,27.0,"Invalid WP multiplicities - A18B2C7_hR81_148_4f_c_af:Cl-K-Zr, expected K2Zr7Cl24 to be K2Zr7Cl18" +mp-567530,KMnCl3,-4.9820430695,-1.8184382257,0.0,-0.0154917762,GGA,Pnma,A3BC_oP20_62_3c_c_c:Cl-K-Mn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:Cl-K-Mn, expected KMnCl9 to be KMnCl3" +mp-23049,KMnCl3,-4.9691495275,-1.8055446837,0.012893542,-0.0025982342,GGA,Pnma,A3BC_oP20_62_cd_c_a:Cl-K-Mn,20.0,A3BC_oP20_62_cd_c_a:Cl-K-Mn +mp-1077452,KMnCl,-4.4083807717,-0.3680638053,1.137425689,1.137425689,GGA,Imma,ABC_oI12_74_e_e_a:Cl-K-Mn,6.0,ABC_oI12_74_e_e_a:Cl-K-Mn +mp-1216536,TmPaO4,-9.8383748233,-4.2088323353,0.0,-0.4650695606,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Tm,6.0,A4BC_tP6_123_i_a_d:O-Pa-Tm +mp-675106,TmPaO4,-8.675749115,-3.0462066269,1.1626257083,0.6975561477000001,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Tm,12.0,A4BC_tI24_141_f_a_b:O-Pa-Tm +mp-1206036,Ba2TmPaO6,-8.531042887,-3.7801846639,0.0,-0.125173721,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Tm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Tm +mp-1110754,K2RbSbBr6,-3.264419021,-1.5995687023,0.1007410121,0.1007410121,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Sb +mp-1105283,Sr2InOsO6,-7.0674126170000005,-2.3635955836,0.0,-0.0019628927,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:In-O-Os-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:In-O-Os-Sr +mp-1205776,Sr2InOsO6,-7.015378546,-2.3115615126,0.052034071,0.0500711783,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:In-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:In-O-Os-Sr +mp-1208673,SrOsO2,-7.1822469262,-1.4796873498,0.6975877982,0.6975877982,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Os-Sr,16.0,A2BC_tI32_141_h_c_d:O-Os-Sr +mp-556809,Sr11(OsO6)4,-7.2595340128,-2.5873692237,0.0,-0.1934506827,GGA,I4_1/a,A24B4C11_tI156_88_6f_cd_ae2f:O-Os-Sr,78.0,"Invalid WP multiplicities - A24B4C11_tI156_88_43f_3c3d_2a3e10f:O-Os-Sr, expected Sr12Os3O43 to be Sr11(OsO6)4" +mp-1105153,SrOsO3,-7.6549400565,-2.1035546531,0.0610773853,0.0610773853,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Os-Sr,20.0,A3BC_oP20_62_cd_a_c:O-Os-Sr +mp-867195,SrOsO3,-7.619098774,-2.0677133706,0.0969186678,0.0969186678,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Sr,5.0,A3BC_cP5_221_c_b_a:O-Os-Sr +mp-1216321,UCoNi,-8.314143585,-0.2541887567,0.0074362025,0.0074362025,GGA,Imma,ABC_oI12_74_a_c_e:Co-Ni-U,6.0,ABC_oI12_74_a_c_e:Co-Ni-U +mp-1216316,UCoNiGe2,-7.026864816,-0.341680777,0.042882427,0.0163854631,GGA,I-4m2,AB2CD_tI10_119_a_f_b_c:Co-Ge-Ni-U,5.0,AB2CD_tI10_119_a_f_b_c:Co-Ge-Ni-U +mp-1216374,UCoNiGe2,-7.069747243,-0.384563204,0.0,-0.0264969639,GGA,P4/nmm,AB2CD_tP10_129_a_bc_c_c:Co-Ge-Ni-U,10.0,AB2CD_tP10_129_a_bc_c_c:Co-Ge-Ni-U +mp-1216417,UCoNiGe2,-7.058291648,-0.373107609,0.011455595,-0.0150413689,GGA,P4/nmm,AB2CD_tP10_129_c_ac_b_c:Co-Ge-Ni-U,10.0,AB2CD_tP10_129_c_ac_b_c:Co-Ge-Ni-U +mp-1216507,UCoNiGe2,-6.722153068,-0.036969029,0.347594175,0.3210972111,GGA,P4/nmm,AB2CD_tP10_129_a_bc_c_c:Co-Ge-Ni-U,10.0,AB2CD_tP10_129_a_bc_c_c:Co-Ge-Ni-U +mp-1216737,UNiGe,-7.53830474,-0.3067798917,0.075043015,-0.0061763774,GGA,C2/m,ABC_mC12_12_i_i_i:Ge-Ni-U,6.0,ABC_mC12_12_i_i_i:Ge-Ni-U +mp-1102933,UNiGe,-7.613347755,-0.3818229067,0.0,-0.0812193924,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-U,12.0,ABC_oP12_62_c_c_c:Ge-Ni-U +mp-1217393,U3(CoNi2)2,-8.1401416883,-0.2277625394,0.0380962776,0.0380962776,GGA,P-1,A2B4C3_aP18_2_cdi_be3i_3i:Co-Ni-U,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cdi_be4i_5i:Co-Ni-U, expected U5Co2Ni5 to be U3(CoNi2)2" +mp-5591,U(NiGe)2,-6.765287662,-0.345739846,0.0168996873,0.0168996873,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Ni-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Ni-U +mp-21826,UNi5Ge3,-6.3704583067,-0.363660865,0.0,-0.0337031558,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:Ge-Ni-U,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_5c_8c_c:Ge-Ni-U, expected UNi8Ge5 to be UNi5Ge3" +mp-1235366,Sr2LiO12,-5.3178386133,-1.0079603261,0.1314818999999999,0.1314818999999999,GGA,P1,AB12C2_aP15_1_a_12a_2a:Li-O-Sr,15.0,AB12C2_aP15_1_a_12a_2a:Li-O-Sr +mp-1235496,Sr2LiO12,-5.3400347133,-1.0301564261,0.1092857999999999,0.1092857999999999,GGA,P1,AB12C2_aP15_1_a_12a_2a:Li-O-Sr,15.0,AB12C2_aP15_1_a_12a_2a:Li-O-Sr +mp-1235669,Sr2LiO12,-5.265583726,-0.9557054388,0.1837367873,0.1837367873,GGA,P1,AB12C2_aP15_1_a_12a_2a:Li-O-Sr,15.0,AB12C2_aP15_1_a_12a_2a:Li-O-Sr +mp-1235229,Sr2LiO12,-5.3185823093,-1.0087040221,0.130738204,0.130738204,GGA,P-1,AB12C2_aP15_2_a_6i_i:Li-O-Sr,15.0,"Invalid WP multiplicities - AB12C2_aP15_2_a_12i_i:Li-O-Sr, expected Sr2LiO24 to be Sr2LiO12" +mp-1187183,SrLiO3,-5.383844408,-1.6961479173,0.287957961,0.287957961,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Sr,5.0,AB3C_cP5_221_b_c_a:Li-O-Sr +mp-1080625,Sr2LiReO6,-7.492308652,-2.7510517294,0.0,-0.0105851207,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Li-O-Re-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Li-O-Re-Sr +mp-12525,Sr2LiReO6,-7.481526617,-2.7402696944,0.010782035,0.0001969143,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Li-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Li-O-Re-Sr +mp-568207,NdMg2Ni9,-5.2459542883,-0.2467928173,0.0013708569,0.0013708569,GGA,R-3m,A2BC9_hR36_166_c_a_bch:Mg-Nd-Ni,12.0,"Invalid WP multiplicities - A2BC9_hR36_166_c_a_b2c3h:Mg-Nd-Ni, expected NdMg2Ni23 to be NdMg2Ni9" +mp-5925,Nd2MgNi2,-4.839118459,-0.299748804,0.0,-0.0257681008,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Mg-Nd-Ni,10.0,AB2C2_tP10_127_a_h_g:Mg-Nd-Ni +mp-1104380,NdMg5Ni,-2.7949083629,-0.1449534539,0.000648359,0.000648359,GGA,Cmcm,A5BC_oC28_63_a2f_c_c:Mg-Nd-Ni,14.0,A5BC_oC28_63_a2f_c_c:Mg-Nd-Ni +mp-1210038,Nd4MgNi,-4.5653663579,-0.1565319479,0.0025435621,0.0025435621,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Nd-Ni,24.0,AB4C_cF96_216_e_efg_e:Mg-Nd-Ni +mp-11194,NdMgNi4,-5.2440636967,-0.3292346629,0.0,-0.0500210927,GGA,F-43m,ABC4_cF24_216_a_c_e:Mg-Nd-Ni,6.0,ABC4_cF24_216_a_c_e:Mg-Nd-Ni +mp-1211441,Nd23Mg4Ni7,-4.7810985472,-0.1772906676,0.0,-0.0081982425,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Ni,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Ni +mp-1195878,Nd(Mg10Ni)2,-2.1710456313,-0.0695664229,0.0094808025,0.0094808025,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Mg-Nd-Ni,46.0,"Invalid WP multiplicities - A20BC2_cF184_227_c2f2g_a_d:Mg-Nd-Ni, expected Nd(Mg19Ni)2 to be Nd(Mg10Ni)2" +mp-1104718,NdMgNi4H7,-4.4206777869,-0.3254426702,0.0130252455,0.0130252455,GGA,F-43m,A7BCD4_cF52_216_ag_c_b_e:H-Mg-Nd-Ni,13.0,A7BCD4_cF52_216_ag_c_b_e:H-Mg-Nd-Ni +mp-1189636,NdMg(NiH)4,-4.657729018,-0.3517411797,0.0115937461,0.0115937461,GGA,Pmn2_1,A4BCD4_oP20_31_2ab_a_a_2ab:H-Mg-Nd-Ni,20.0,A4BCD4_oP20_31_2ab_a_a_2ab:H-Mg-Nd-Ni +mp-1186304,NdAs2Au,-5.1026017319,-0.7625351712,0.0,-0.0109076656,GGA,Pnma,A2BC_oP16_62_2c_c_c:As-Au-Nd,16.0,"Invalid WP multiplicities - A2BC_oP16_62_5c_c_c:As-Au-Nd, expected NdAs5Au to be NdAs2Au" +mp-1194538,Nd10As8Au3O10,-7.065932031,-2.412933493,0.0,-0.0519301373,GGA,I4/m,A8B3C10D10_tI62_87_2h_ac_ei_di:As-Au-Nd-O,31.0,A8B3C10D10_tI62_87_2h_ac_ei_di:As-Au-Nd-O +mp-3374,Nd4Au2O9,-7.4466996588,-2.7706628501,0.0,-0.0962501145,GGA,Pbcn,A2B4C9_oP60_60_d_2d_c4d:Au-Nd-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_60_d_2d_c7d:Au-Nd-O, expected Nd4Au2O15 to be Nd4Au2O9" +mp-1207287,Nd2As3Au,-2.20120795,2.26338073,3.2728225146,3.2728225146,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Au-Nd,6.0,A3BC2_tP6_123_ag_b_g:As-Au-Nd +mp-1095378,AsAuO4,-5.7876120733,-1.167652865,0.0,-0.0657070581,GGA,C2/c,ABC4_mC24_15_e_c_2f:As-Au-O,12.0,ABC4_mC24_15_e_a_2f:As-Au-O +mp-755240,AsAuO3,-5.632816046,-1.0782027382,0.1175427962,0.1175427962,GGA,C2/c,ABC3_mC40_15_f_2e_3f:As-Au-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_3e_9f:As-Au-O, expected As2(AuO6)3 to be AsAuO3" +mp-581024,CsK2Sb,-2.2356463825,-0.424346006,0.0,-0.0060169525,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cs-K-Sb,4.0,AB2C_cF16_225_a_c_b:Cs-K-Sb +mp-17120,Cs6K3AlSb4,-2.5441052182,-0.4751629423,0.0,-0.0628900588,GGA,P6_3/mmc,AB6C3D4_hP28_194_c_k_h_ah:Al-Cs-K-Sb,28.0,"Invalid WP multiplicities - AB6C3D4_hP28_194_c_k_h_2a2h:Al-Cs-K-Sb, expected Cs6K3AlSb8 to be Cs6K3AlSb4" +mp-17886,K2Al2Sb3,-3.6026678466,-0.4456745218,0.0,-0.0715124434,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:Al-K-Sb,56.0,A2B2C3_mP56_14_4e_4e_6e:Al-K-Sb +mp-29373,KAlSb4,-3.9092669458,-0.347270323,0.0,-0.0484327717,GGA,Pnma,ABC4_oP24_62_c_c_4c:Al-K-Sb,24.0,ABC4_oP24_62_c_c_4c:Al-K-Sb +mp-8720,Rb2MnTe2,-4.407315186,-0.9253761413,0.0,-0.0731878693,GGA,Ibam,AB2C2_oI20_72_a_j_j:Mn-Rb-Te,10.0,AB2C2_oI20_72_a_j_j:Mn-Rb-Te +mp-1209522,Rb2Mn3Te4,-5.3307244233,-0.6617980239,0.0,-0.0128594859,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Mn-Rb-Te,18.0,A3B2C4_oI36_72_af_j_k:Mn-Rb-Te +mp-10287,RbMnTe2,-4.7802649775,-0.6729746897000001,0.0570811656,0.0570811656,GGA,I-4m2,ABC2_tI8_119_c_a_e:Mn-Rb-Te,4.0,ABC2_tI8_119_c_a_e:Mn-Rb-Te +mp-1209516,Rb2Mn(TeS3)2,-4.5955362268,-0.7565912791,0.1166468686,0.1166468686,GGA,P-3c1,AB2C6D2_hP22_165_b_d_g_d:Mn-Rb-S-Te,22.0,AB2C6D2_hP22_165_b_d_g_d:Mn-Rb-S-Te +mp-1213740,CrNiAg2F7,-5.3307804932,-2.1963578633,0.0,-0.0089565327,GGA+U,Imma,A2BC7D_oI44_74_ac_d_ehj_b:Ag-Cr-F-Ni,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_d_2e2hj_b:Ag-Cr-F-Ni, expected CrNiAg2F10 to be CrNiAg2F7" +mp-1206806,CrAg3F6,-4.828131365,-1.8661724365,0.0909723095,0.0909723095,GGA+U,Fm-3m,A3BC6_cF40_225_ac_b_e:Ag-Cr-F,10.0,A3BC6_cF40_225_ac_b_e:Ag-Cr-F +mp-1113908,Rb2TlHgF6,-3.939735385,-2.3301088388,0.0374869541,0.0374869541,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Tl +mp-505213,Ba6Na16N,-1.8522934848,-0.06921743,0.0093396721,0.0093396721,GGA,Im-3m,A6BC16_cI46_229_e_a_ch:Ba-N-Na,23.0,A6BC16_cI46_229_e_a_ch:Ba-N-Na +mp-1221112,NaCaN3,-4.4214180955,1.2461038942,1.7906958656,1.7906958656,GGA,Fddd,AB3C_oF80_70_e_fh_e:Ca-N-Na,20.0,"Invalid WP multiplicities - AB3C_oF80_70_e_f2h_e:Ca-N-Na, expected NaCaN5 to be NaCaN3" +mp-1245807,BaNaN,-4.0463228167,-0.1869910972,0.2391275539,0.2391275539,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-N-Na,12.0,ABC_oP12_62_c_c_c:Ba-N-Na +mp-1245803,BaNaN,-4.0161665833,-0.1568348639,0.2692837873,0.2692837873,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ba-N-Na,6.0,ABC_hP6_186_a_b_b:Ba-N-Na +mp-1247165,NaCaN,-4.3431059075,-0.454899208,0.1196417326,0.1196417326,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-N-Na,12.0,ABC_oP12_62_c_c_c:Ca-N-Na +mp-1245645,NaCaN,-4.2242275617,-0.3360208622,0.2385200784,0.2385200784,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ca-N-Na,6.0,ABC_hP6_186_a_b_b:Ca-N-Na +mp-1245413,Na2Ca5N4,-4.804365207,-0.6208170537000001,0.1168391291,0.1168391291,GGA,P4/ncc,A5B4C2_tP44_130_cg_g_f:Ca-N-Na,44.0,A5B4C2_tP44_130_cg_g_f:Ca-N-Na +mp-777942,Ba14Na8CaN6,-3.4652071653,-0.3800202365,0.0039283977,0.0039283977,GGA,P6_3/m,A14BC6D8_hP58_176_e2i_b_i_c2fh:Ba-Ca-N-Na,58.0,"Invalid WP multiplicities - A14BC6D8_hP58_176_e8i_b_i_2c7f3h:Ba-Ca-N-Na, expected Ba50Na25CaN6 to be Ba14Na8CaN6" +mp-6645,Ba14Na14CaN6,-3.1076716189,-0.324655256,0.0,-0.0066516456,GGA,Fm-3m,A14BC6D14_cF140_225_ef_a_e_df:Ba-Ca-N-Na,35.0,A14BC6D14_cF140_225_ef_a_e_df:Ba-Ca-N-Na +mp-1245603,BaCa2N2,-4.963045587,-0.442412677,0.3701668032,0.3701668032,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Ca-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Ca-N +mp-570644,Ba14Na21CaN6,-2.8054062545000003,-0.2658050699,0.0047409768,0.0047409768,GGA,C2/m,A14BC6D21_mC84_12_3i2j_a_ij_beh4i2j:Ba-Ca-N-Na,42.0,"Invalid WP multiplicities - A14BC6D21_mC84_12_5i5j_a_2i2j_b2f2h8i7j:Ba-Ca-N-Na, expected Ba30Na53CaN12 to be Ba14Na21CaN6" +mp-1245724,Ba2CaN2,-5.030390349,-0.5270824270000001,0.1646820599,0.1646820599,GGA,Pmmn,A2BC2_oP10_59_e_a_e:Ba-Ca-N,10.0,A2BC2_oP10_59_e_a_e:Ba-Ca-N +mp-1245728,Ba2CaN2,-5.09296734,-0.589659418,0.1021050689,0.1021050689,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Ba-Ca-N,5.0,A2BC2_hP5_164_d_a_d:Ba-Ca-N +mp-1096333,BaNa2Ca,-0.6246638475,1.0177425042,1.0282412669,1.0282412669,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Na,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Na +mp-542834,Ba14Na17CaN6,-2.9602754561,-0.2925610198,0.0064635582,0.0064635582,GGA,P-1,A14BC6D17_aP38_2_7i_a_3i_e8i:Ba-Ca-N-Na,38.0,A14BC6D17_aP38_2_7i_a_3i_e8i:Ba-Ca-N-Na +mp-570449,Ba14Na7CaN6,-3.5444405514,-0.3963014213,0.0,-0.0069769015,GGA,R-3c,A14BC6D7_hR168_167_c2f_b_f_2ce:Ba-Ca-N-Na,56.0,"Invalid WP multiplicities - A14BC6D7_hR168_167_2c13f_b_f_6c4e:Ba-Ca-N-Na, expected Ba82Na24CaN6 to be Ba14Na7CaN6" +mp-8868,Ba3NaN,-3.419354647,-0.3361656393,0.0,-0.0124883262,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Ba-N-Na,10.0,A3BC_hP10_194_h_a_c:Ba-N-Na +mp-11234,PrMg2Ag,-2.8264087,-0.1229032354,0.0899764247,0.0899764247,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Pr,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Pr +mp-1044410,PrMg(AgO3)2,-5.8100679215,-1.6374249136,0.097105313,0.097105313,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Ag-Mg-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Ag-Mg-O-Pr, expected PrMg(AgO6)2 to be PrMg(AgO3)2" +mp-975892,PrMgAg2,-3.302530055,-0.2909556021,0.0,-0.0274150602,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Pr,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Pr +mp-1079756,PrMgAg,-3.3293887578,-0.2581414883,0.0,-0.0265454028,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Pr,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Pr +mp-1349934,Ho14(PbS8)3,-6.3319206156,-2.0742020255,0.0640735365,0.0640735365,GGA,P1,A14B3C24_aP41_1_14a_3a_24a:Ho-Pb-S,41.0,"Invalid WP multiplicities - A14B3C24_mC82_5_12c_ac_23c:Ho-Pb-S, expected Ho24Pb3S46 to be Ho14(PbS8)3" +mp-675425,Ho14(PbS8)3,-6.3367225198,-2.0790039296,0.0592716324,0.0592716324,GGA,C2,A14B3C24_mC82_5_7c_ac_12c:Ho-Pb-S,41.0,"Invalid WP multiplicities - A14B3C24_mC82_5_12c_ac_23c:Ho-Pb-S, expected Ho24Pb3S46 to be Ho14(PbS8)3" +mp-1224555,Ho2PbS4,-6.1197943259,-1.9164708577,0.0007840782,0.0007840782,GGA,Cmc2_1,A2BC4_oC112_36_4a2b_2ab_8a4b:Ho-Pb-S,56.0,A2BC4_oC112_36_4a2b_2ab_8a4b:Ho-Pb-S +mp-1193815,Ho2PbS4,-6.1180855629,-1.9147620946,0.0024928412,0.0024928412,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ho-Pb-S,28.0,A2BC4_oP28_62_2c_c_4c:Ho-Pb-S +mp-559287,Ho2Sn3(PbS4)3,-5.2337425023,-1.1352988564,0.0121816112,0.0121816112,GGA,Pmc2_1,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Ho-Pb-S-Sn,40.0,"Invalid WP multiplicities - A2B3C12D3_oP40_26_2a_4a_10a14b_6b:Ho-Pb-S-Sn, expected HoSn3(PbS6)2 to be Ho2Sn3(PbS4)3" +mp-582444,Os(SeCl6)2,-3.540166224,-0.8467242036,0.001539575,0.001539575,GGA,Fdd2,A12BC2_oF120_43_6b_a_b:Cl-Os-Se,30.0,"Invalid WP multiplicities - A12BC2_oF120_43_22b_a_b:Cl-Os-Se, expected Os(SeCl22)2 to be Os(SeCl6)2" +mp-1220410,Os4SeS11Cl8,-5.1189258742,-0.5899832486000001,0.1023447773,0.1023447773,GGA,P2_1,A8B4C11D_mP48_4_8a_4a_11a_a:Cl-Os-S-Se,48.0,A8B4C11D_mP48_4_8a_4a_11a_a:Cl-Os-S-Se +mp-1212273,Os(SCl4)6,-2.9391237294,-0.3452222303,0.3345979099,0.3345979099,GGA,C2/m,A24BC6_mC62_12_6j_a_ij:Cl-Os-S,31.0,"Invalid WP multiplicities - A24BC6_mC62_12_20j_a_ij:Cl-Os-S, expected Os(S3Cl40)2 to be Os(SCl4)6" +mp-1198672,OsSeS3Cl4,-4.5848214047,-0.7485130549,0.0,-0.0189421464,GGA,P2_1,A4BC3D_mP36_4_8a_2a_6a_2a:Cl-Os-S-Se,36.0,A4BC3D_mP36_4_8a_2a_6a_2a:Cl-Os-S-Se +mp-28865,Os(SCl6)2,-3.53217304,-0.7533259011,0.0,-0.0360104738,GGA,R-3m,A12BC2_hR45_166_2h_a_c:Cl-Os-S,15.0,"Invalid WP multiplicities - A12BC2_hR45_166_3h_a_c:Cl-Os-S, expected Os(SCl9)2 to be Os(SCl6)2" +mp-1096171,AlZnCo2,-2.60975003,2.1957387275,2.530611896,2.530611896,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Co-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Co-Zn +mp-1228970,Al8Zn3CoO16,-7.2689671802,-2.9832823714,0.0054129671,0.0054129671,GGA+U,P-4m2,A8BC16D3_tP28_115_jk_a_2j2k_cg:Al-Co-O-Zn,112.0,A8BC16D3_tP28_115_jk_a_2j2k_cg:Al-Co-O-Zn +mp-22423,BaLa2CoS5,-6.419785705,-2.0218350073,0.0415029184,0.0415029184,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-La-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-La-S +mp-1201286,La2(SeO8)3,-5.3020396045,-0.5061679592,0.6245225815000001,0.6245225815000001,GGA,C2/c,A2B24C3_mC116_15_f_2e11f_ef:La-O-Se,58.0,A2B24C3_mC116_15_f_2e11f_ef:La-O-Se +mp-7233,La2SeO2,-8.144214178,-3.491953556,0.0,-0.1017217569,GGA,P-3m1,A2B2C_hP5_164_d_d_a:La-O-Se,5.0,A2B2C_hP5_164_d_d_a:La-O-Se +mp-1203318,LaSe2O9,-5.8725593517,-1.1685569799,0.3468774239,0.3468774239,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:La-O-Se,48.0,AB9C2_mP48_14_e_9e_2e:La-O-Se +mp-4412,La4Se3O4,-7.8036380655,-3.2565000929,0.0,-0.0819968602,GGA,Amm2,A4B4C3_oC22_38_abc_abc_ac:La-O-Se,11.0,A4B4C3_oC22_38_abc_abc_ac:La-O-Se +mp-726315,La(SeO3)2,-6.5712146285,-1.9481077032,0.0724715018,0.0724715018,GGA,Pca2_1,AB6C2_oP72_29_2a_12a_4a:La-O-Se,72.0,AB6C2_oP72_29_2a_12a_4a:La-O-Se +mp-4350,La2(SeO3)3,-6.9764266232,-2.3421446915,0.0,-0.2076147065,GGA,Pnma,A2B9C3_oP56_62_d_c4d_cd:La-O-Se,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_c5d_c2d:La-O-Se, expected La2Se5O11 to be La2(SeO3)3" +mp-558535,La10Se14O,-6.5687988521000005,-2.4388180342,0.0,-0.0070652657,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:La-O-Se,100.0,"Invalid WP multiplicities - A10BC14_tI200_142_8f21g_a_7e35g:La-O-Se, expected La100Se154O to be La10Se14O" +mp-1211372,La(SeO4)3,-5.9746570256,-1.3006566461,0.0596941573,0.0596941573,GGA,P6_3/m,AB12C3_hP32_176_c_2hi_h:La-O-Se,32.0,AB12C3_hP32_176_c_2hi_h:La-O-Se +mp-1078431,LaBiSe2O,-6.216547615,-2.0735460347,0.017050639,0.017050639,GGA,P4/nmm,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-Se,10.0,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-Se +mp-753822,La2Se2O,-7.267662301,-2.9055571257,0.0013211404,0.0013211404,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:La-O-Se,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_3e_e_3e:La-O-Se, expected La3Se3O to be La2Se2O" +mp-752418,La2Se2O,-7.267015994,-2.9049108187,0.0019674474,0.0019674474,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:La-O-Se,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_5c:La-O-Se, expected La5Se5O to be La2Se2O" +mp-1219056,Sn2Sb2Pb4O13,-6.4228820552,-1.8783731164,0.0,-0.0229911542,GGA,Imm2,A13B4C2D2_oI42_44_2a3b2e_cd_c_d:O-Pb-Sb-Sn,21.0,A13B4C2D2_oI42_44_2a3b2e_cd_c_d:O-Pb-Sb-Sn +mp-1218921,SnSbO4,-6.5367825933,-1.88256127,0.0907736798,0.0907736798,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Sb-Sn,6.0,A4BC_oC12_65_gj_a_c:O-Sb-Sn +mp-1022157,RbMg6Fe,-1.9513096938,0.4302197541,0.4410937883,0.4410937883,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Rb, expected RbMg12Fe to be RbMg6Fe" +mp-1099276,RbMg6Fe,-1.9257469725,0.4557824753,0.4666565095,0.4666565095,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:Fe-Mg-Rb +mp-541448,Rb3(FeS2)2,-5.0845844942,-1.0370907047,0.0,-0.0054644767,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Rb-S,36.0,A2B3C4_oP36_62_d_cd_2cd:Fe-Rb-S +mp-1191800,Rb4Fe2S5,-4.8518169064,-1.0750507205,0.0,-0.0019472161,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Fe-Rb-S,22.0,A2B4C5_aP22_2_2i_4i_5i:Fe-Rb-S +mp-2226922,Rb2Mg(FeS2)2,-5.0109794378,-0.8946249842,0.2257002856,0.2257002856,GGA,P1,A2BC2D4_aP9_1_2a_a_2a_4a:Fe-Mg-Rb-S,9.0,A2BC2D4_aP9_1_2a_a_2a_4a:Fe-Mg-Rb-S +mp-2239856,Rb2Mg(FeS2)2,-5.0080520189,-0.8916975653,0.2286277044,0.2286277044,GGA,C2,A2BC2D4_mC18_5_ab_a_ab_2c:Fe-Mg-Rb-S,9.0,A2BC2D4_mC18_5_ab_a_ab_2c:Fe-Mg-Rb-S +mp-2217074,Rb2Mg(FeS2)2,-5.0396665622,-0.9233121086,0.1970131611,0.1970131611,GGA,Cm,A2BC2D4_mC18_8_2a_a_2a_2ab:Fe-Mg-Rb-S,9.0,A2BC2D4_mC18_8_2a_a_2a_2ab:Fe-Mg-Rb-S +mp-2240483,Rb2Mg(FeS2)2,-4.9426013756,-0.8262469219,0.2940783478,0.2940783478,GGA,Imm2,A2BC2D4_oI18_44_d_a_c_2bc:Fe-Mg-Rb-S,9.0,A2BC2D4_oI18_44_d_a_c_2bc:Fe-Mg-Rb-S +mp-14890,Rb9Fe2S7,-4.0304564046,-0.9904565079,0.1158996319,0.1158996319,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-Rb-S,72.0,"Invalid WP multiplicities - A2B9C7_cP72_198_2a_4a4b_a2b:Fe-Rb-S, expected Rb16Fe2S7 to be Rb9Fe2S7" +mp-3787,RbFe2S3,-5.99161489,-0.9366272078,0.0,-0.0114334892,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Fe-Rb-S,12.0,A2BC3_oC24_63_e_c_cg:Fe-Rb-S +mp-1028050,RbMg14Fe,-1.7620498481,0.2288549008,0.241541274,0.241541274,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Rb, expected RbMg18Fe to be RbMg14Fe" +mp-5372,RbFeS2,-5.439696855,-1.0088331009,0.0,-0.0093507123,GGA,C2/c,ABC2_mC16_15_e_e_f:Fe-Rb-S,8.0,ABC2_mC16_15_e_e_f:Fe-Rb-S +mp-1078517,RbFeS2,-5.4369283412,-1.0060645872,0.0027685138,-0.0065821985,GGA,Immm,ABC2_oI16_71_g_e_fi:Fe-Rb-S,8.0,ABC2_oI16_71_g_e_fi:Fe-Rb-S +mp-1193761,Rb3FeS3,-4.5119098636,-1.1089137167,0.0009157325,-0.0154309979,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Rb-S,28.0,AB3C3_mP28_14_e_3e_3e:Fe-Rb-S +mp-1193685,Rb3FeS3,-4.5128255961,-1.1098294492,0.0,-0.0163467304,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Fe-Rb-S,28.0,AB3C3_oC56_64_d_fg_fg:Fe-Rb-S +mp-1193397,Zr9NiMo4,-9.1443554021,-0.1377809171,0.0,-0.0088403968,GGA,P6_3/mmc,A4BC9_hP28_194_ah_c_hk:Mo-Ni-Zr,28.0,A4BC9_hP28_194_ah_c_hk:Mo-Ni-Zr +mp-1215917,Zr4NiMo,-8.6610265358,-0.1915949842,0.0099265806,0.0099265806,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mo-Ni-Zr,24.0,ABC4_cF96_216_e_e_efg:Mo-Ni-Zr +mp-1207431,Zr9NiMo4O3,-8.9019795932,-0.6118555389,0.5494179064,0.5494179064,GGA+U,P6_3/mmc,A4BC3D9_hP34_194_ah_c_g_hk:Mo-Ni-O-Zr,34.0,A4BC3D9_hP34_194_ah_c_g_hk:Mo-Ni-O-Zr +mp-1222981,Li2SnO4,-5.7754660943000005,-1.8305843181,0.0833177554,0.0833177554,GGA,P-1,A2B4C_aP7_2_i_2i_a:Li-O-Sn,7.0,A2B4C_aP7_2_i_2i_a:Li-O-Sn +mp-4527,Li8SnO6,-5.40758705,-2.1435145796,0.0,-0.0161721972,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Sn,15.0,A8B6C_hR45_148_cf_f_a:Li-O-Sn +mp-1210921,LiZn4SnO8,-5.22820637,-1.6188507377,0.1186777605,0.1186777605,GGA,P6_3mc,AB8CD4_hP28_186_a_ab2c_b_bc:Li-O-Sn-Zn,28.0,AB8CD4_hP28_186_a_ab2c_b_bc:Li-O-Sn-Zn +mp-555965,Li2ZnSn3O8,-6.1823877723,-2.1338295867,0.0,-0.0206160614,GGA,Cmc2_1,A2B8C3D_oC168_36_2a2b_4a10b_a4b_ab:Li-O-Sn-Zn,84.0,"Invalid WP multiplicities - A2B8C3D_oC168_36_4a7b_7a36b_2a14b_a2b:Li-O-Sn-Zn, expected Li18Zn5Sn30O79 to be Li2ZnSn3O8" +mp-3540,Li2SnO3,-6.0032368921,-2.2253229384,0.0,-0.0950025008,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Li-O-Sn,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_aef_7f_3e:Li-O-Sn, expected Li4Sn3O14 to be Li2SnO3" +mp-1180644,Li2SnO6,-5.1509561256,-0.983450586,0.5152236676,0.5152236676,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:Li-O-Sn,18.0,A2B6C_mP18_14_e_3e_a:Li-O-Sn +mp-1222532,Li7(SnO3)4,-5.9787608357,-2.1195863999,0.0507164457,0.0507164457,GGA,C2,A7B12C4_mC46_5_a3c_6c_2a2b:Li-O-Sn,23.0,A7B12C4_mC46_5_a3c_6c_2a2b:Li-O-Sn +mp-1235026,LiZn4(SnO2)4,-5.2009206065,-1.520938582,0.1943522202,0.1943522202,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn +mp-1235217,LiZn4(SnO2)4,-5.2169698571,-1.5369878325,0.1783029696,0.1783029696,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn +mp-1236032,LiZn4(SnO2)4,-5.2123991571,-1.5324171325,0.1828736696,0.1828736696,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn +mp-1236206,LiZn4(SnO2)4,-5.2555943129,-1.5756122884,0.1396785137,0.1396785137,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Li-O-Sn-Zn +mp-1236347,LiZn4(SnO2)4,-5.2289770765,-1.548995052,0.1662957502,0.1662957502,GGA,P-1,AB8C4D4_aP17_2_a_4i_2i_2i:Li-O-Sn-Zn,17.0,"Invalid WP multiplicities - AB8C4D4_aP17_2_a_7i_3i_2i:Li-O-Sn-Zn, expected LiZn4(Sn3O7)2 to be LiZn4(SnO2)4" +mp-1235018,LiZn4(SnO2)4,-5.2637995512,-1.5838175267,0.1314732755,0.1314732755,GGA,C2,AB8C4D4_mC34_5_a_4c_2c_2c:Li-O-Sn-Zn,17.0,"Invalid WP multiplicities - AB8C4D4_mC34_5_a_7c_3c_2c:Li-O-Sn-Zn, expected LiZn4(Sn3O7)2 to be LiZn4(SnO2)4" +mp-1236309,LiZn4(SnO2)4,-5.2399275659,-1.5599455414,0.1553452608,0.1553452608,GGA,Cm,AB8C4D4_mC34_8_a_8a_4a_4a:Li-O-Sn-Zn,17.0,AB8C4D4_mC34_8_a_8a_4a_4a:Li-O-Sn-Zn +mp-37108,Sr(NdS2)2,-6.3341119693,-2.3667422856,0.0040802582,0.0040802582,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-S-Sr,14.0,A2B4C_tI28_122_d_e_a:Nd-S-Sr +mp-1190834,SrNdCuS3,-5.7379961942,-1.9102966681,0.0,-0.0263466213,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Nd-S-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Nd-S-Sr +mp-34680,SrNd5S8,-6.51966102,-2.3323874807,0.0213794004,0.0213794004,GGA,I-4,A5B8C_tI28_82_ag_2g_c:Nd-S-Sr,14.0,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_4g_c:Nd-S-Sr, expected SrNd9S16 to be SrNd5S8" +mp-1105298,La2CuSbS5,-5.9053601194,-1.5961966245,0.0160648581,0.0160648581,GGA,Ima2,AB2C5D_oI36_46_a_ab_b2c_b:Cu-La-S-Sb,18.0,AB2C5D_oI36_46_a_ab_b2c_b:Cu-La-S-Sb +mp-1079103,LaCuSb2,-5.1500723488,-0.8267682850000001,0.0,-0.0120314869,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-La-Sb,8.0,ABC2_tP8_129_a_c_bc:Cu-La-Sb +mp-1223074,La4Cu3Sb8,-5.2072964747,-0.8690525847,0.0,-0.006818698,GGA,I-42m,A3B4C8_tI30_121_ac_i_dei:Cu-La-Sb,15.0,A3B4C8_tI30_121_ac_i_dei:Cu-La-Sb +mp-1105594,La3Cu3Sb4,-5.277253193,-0.9150885645,0.0,-0.0390928775,GGA,I-43d,A3B3C4_cI40_220_a_b_c:Cu-La-Sb,20.0,A3B3C4_cI40_220_a_b_c:Cu-La-Sb +mp-1223235,La4Cu5Sb8,-5.0611032335,-0.7509813694,0.0271534871,0.0271534871,GGA,P4mm,A5B4C8_tP17_99_a2c_2a2b_2a2b2c:Cu-La-Sb,17.0,"Invalid WP multiplicities - A5B4C8_tP17_99_a4c_2a2b_2a2b4c:Cu-La-Sb, expected La4(Cu3Sb4)3 to be La4Cu5Sb8" +mp-1188182,Fe(CoS)8,-6.50522254,-0.7153306279,0.0011097254,0.0011097254,GGA,Fm-3m,A8BC8_cF68_225_f_a_ce:Co-Fe-S,17.0,A8BC8_cF68_225_f_a_ce:Co-Fe-S +mp-1225004,FeCoS4,-6.1102798608,-0.7562567821,0.0140975742,0.0140975742,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Fe-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Fe-S, expected FeCoS8 to be FeCoS4" +mp-1217221,Ti4FeCoS8,-7.1464880079,-1.4142090074,0.0213151875,0.0213151875,GGA,P-1,ABC8D4_aP14_2_a_b_4i_2i:Co-Fe-S-Ti,14.0,"Invalid WP multiplicities - ABC8D4_aP14_2_a_b_8i_2i:Co-Fe-S-Ti, expected Ti4FeCoS16 to be Ti4FeCoS8" +mp-1224978,FeCo3S8,-5.9643489275,-0.7238011333000001,0.0076759675,0.0076759675,GGA,R-3,A3BC8_hR36_148_d_b_cf:Co-Fe-S,12.0,"Invalid WP multiplicities - A3BC8_hR36_148_d_b_2c2f:Co-Fe-S, expected FeCo3S16 to be FeCo3S8" +mp-1217178,Ti3FeS6,-7.186612566,-1.4890929199,0.0085291965,0.0085291965,GGA,R-3,AB6C3_hR30_148_a_f_bc:Fe-S-Ti,10.0,AB6C3_hR30_148_a_f_bc:Fe-S-Ti +mp-16335,Ti3FeS6,-7.1207966395,-1.4232769934,0.074345123,0.074345123,GGA,P-31c,AB6C3_hP20_163_b_i_cf:Fe-S-Ti,20.0,AB6C3_hP20_163_b_i_cf:Fe-S-Ti +mp-1224971,FeCoS2,-6.4772835575,-0.5144738728,0.2313161724,0.2313161724,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Fe-S,4.0,ABC2_hP4_164_a_b_d:Co-Fe-S +mp-9942,Ti2FeS4,-7.2404153329,-1.4108718027,0.02483527,0.02483527,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-S-Ti,7.0,AB4C2_mC14_12_a_2i_i:Fe-S-Ti +mp-30075,Ti4FeS8,-7.1444892238,-1.5180593614,0.0070007324,0.0070007324,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Fe-S-Ti,13.0,AB8C4_mC26_12_a_2ij_hi:Fe-S-Ti +mp-1025269,Ti2CoS4,-7.0541101486,-1.4190956777,0.0162456392,0.0162456392,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Co-S-Ti,7.0,AB4C2_mC14_12_a_2i_i:Co-S-Ti +mp-1105097,Ti4CoS8,-7.0434630469,-1.521779601,0.0,-0.0011459456,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Co-S-Ti,13.0,AB8C4_mC26_12_a_2ij_hi:Co-S-Ti +mp-1217185,Ti3CoS6,-7.054495737,-1.4931464324,0.0007883469,0.0007883469,GGA,R-3,AB6C3_hR30_148_a_f_bc:Co-S-Ti,10.0,AB6C3_hR30_148_a_f_bc:Co-S-Ti +mp-1208259,Ti3CoS6,-6.995940711,-1.4345914064,0.0593433729,0.0593433729,GGA,P6_322,AB6C3_hP20_182_c_i_af:Co-S-Ti,20.0,AB6C3_hP20_182_c_i_af:Co-S-Ti +mp-1222690,MnZn3(MoO5)9,-6.7739416871,-1.0299229092,0.4564407516,0.4564407516,GGA+U,P1,AB9C45D3_aP58_1_a_9a_45a_3a:Mn-Mo-O-Zn,58.0,AB9C45D3_aP58_1_a_9a_45a_3a:Mn-Mo-O-Zn +mp-504503,Mn2Mo3O8,-8.7014103415,-1.7449110643,0.2644005535,0.2644005535,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Mn-Mo-O,26.0,A2B3C8_hP26_186_2b_c_ab2c:Mn-Mo-O +mp-1105000,MnMoO5,-8.0517634693,-1.6601764752,0.2144148241,0.2144148241,GGA+U,P-1,ABC5_aP14_2_i_i_5i:Mn-Mo-O,14.0,ABC5_aP14_2_i_i_5i:Mn-Mo-O +mp-2221742,MnMoO4,-8.6849297475,-2.052526373,0.0151313317,-0.0603700729,GGA+U,P2,ABC4_mP12_3_ab_cd_4e:Mn-Mo-O,12.0,ABC4_mP12_13_e_f_2g:Mn-Mo-O +mp-19081,MnMoO4,-8.7000610792,-2.0676577047,0.0,-0.0755014046,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Mn-Mo-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Mn-Mo-O +mp-19455,MnMoO4,-8.6956658042,-2.0632624297,0.004395275,-0.0711061296,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Mn-Mo-O,12.0,ABC4_mP12_13_e_f_2g:Mn-Mo-O +mp-1110748,Rb2LiNdI6,-3.402315209,-1.6544815546,0.0421631355,0.0421631355,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Li-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Li-Nd-Rb +mp-1111998,K2ScAgBr6,-3.885949092,-1.8155497938,0.000627626,0.000627626,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Sc +mp-1110746,Rb2LiSbI6,-2.895497525,-1.2115784898,0.0528374725,0.0528374725,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Sb +mp-13815,Rb2NaErF6,-5.537928396,-3.6059097907,0.0,-0.0448349278,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Er-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Er-F-Na-Rb +mp-683308,Rb2VAgSe4,-4.5784475325,-1.0958005164,0.0085658669,-0.1150236847,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-Rb-Se-V,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-Rb-Se-V +mp-14635,Rb2VAgSe4,-4.5870133994,-1.1043663833,0.0,-0.1235895516,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-Se-V,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-Se-V +mp-1103598,RbV5Se8,-6.3633460557,-1.0513920383,0.0,-0.0021998848,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Rb-Se-V,14.0,AB8C5_mC28_12_a_4i_c2i:Rb-Se-V +mp-1211022,Rb2VAgSe2,-3.8872339021,-0.4090083731,0.5110172705,0.5110172705,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Ag-Rb-Se-V,24.0,AB2C2D_oF96_70_c_h_h_d:Ag-Rb-Se-V +mp-12024,RbVSe2,-5.4270599269,-1.1629941524,0.0,-0.0648333109,GGA,Fddd,AB2C_oF64_70_e_h_ab:Rb-Se-V,16.0,AB2C_oF64_70_e_h_ab:Rb-Se-V +mp-1113807,Rb2InCuF6,-4.61964732,-2.591564085,0.0499964726,0.0499964726,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Rb +mp-1205662,Zr3NiF6,-6.08284617,-1.7936349325,1.3022697056,1.3022697056,GGA+U,P-1,A6BC3_aP10_2_3i_a_bce:F-Ni-Zr,10.0,A6BC3_aP10_2_3i_a_bce:F-Ni-Zr +mp-1206530,ZrNiF6,-6.6281263813,-3.4035374919,0.0,-0.0322216534,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Ni-Zr,8.0,A6BC_cF32_225_e_a_b:F-Ni-Zr +mp-554702,NaZr2NiF11,-6.595477526,-3.5805220676,0.0,-0.0085312391,GGA+U,C2/m,A11BCD2_mC30_12_bh2ij_c_a_i:F-Na-Ni-Zr,15.0,A11BCD2_mC30_12_ah2ij_c_b_i:F-Na-Ni-Zr +mp-989400,Rb2NaGaF6,-4.857531475,-3.0794751484,0.0,-0.0566364758,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Na-Rb +mp-1110623,RbNa2GaF6,-4.635026886,-2.8227714373,0.2140928973,0.2140928973,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-Na-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-Na-Rb +mp-1028352,NaMg14Ni,-1.786420275,0.0577411421,0.1081593192,0.1081593192,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Ni,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Ni, expected NaMg18Ni to be NaMg14Ni" +mp-1028368,NaMg14Ni,-1.7872807625,0.0568806546,0.1072988317,0.1072988317,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Ni,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Ni, expected NaMg26Ni to be NaMg14Ni" +mp-1180690,Na2Mg2NiH6,-3.2340206325,-0.3265566655,0.0,-0.0090890736,GGA,Pnma,A6B2C2D_oP44_62_2c2d_d_2c_c:H-Mg-Na-Ni,44.0,A6B2C2D_oP44_62_2c2d_d_2c_c:H-Mg-Na-Ni +mp-23730,NaMgH3,-2.9285796835,-0.3083829878,0.0,-0.0219032275,GGA,Pnma,A3BC_oP20_62_cd_a_c:H-Mg-Na,20.0,A3BC_oP20_62_cd_a_c:H-Mg-Na +mp-1021721,NaMg6Ni,-1.9754363744,0.1126064098,0.1895086048,0.1895086048,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Ni, expected NaMg12Ni to be NaMg6Ni" +mp-1022005,NaMg6Ni,-1.9761456987,0.1118970854,0.1887992805,0.1887992805,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Ni, expected NaMg12Ni to be NaMg6Ni" +mp-505357,InSeI,-3.4123015131,-0.8386476606000001,0.0,-0.0283507597,GGA,I4_1/a,ABC_tI96_88_2f_2f_2f:I-In-Se,48.0,ABC_tI96_88_2f_2f_2f:I-In-Se +mp-1223981,In2AgSe3I,-3.61328292,-0.7137080277000001,0.0204013713,0.0204013713,GGA,Cm,ABC2D3_mC14_8_a_a_2a_3a:Ag-I-In-Se,,ABC2D3_mC14_8_a_a_2a_3a:Ag-I-In-Se +mp-1224031,In2AgSe3I,-3.5861184014000003,-0.6865435091000001,0.0475658899,0.0475658899,GGA,R-3m,ABC2D3_hR42_166_c_c_ad_h:Ag-I-In-Se,14.0,ABC2D3_hR42_166_c_c_ad_h:Ag-I-In-Se +mp-569052,AgSe3I,-3.141949277,-0.1832179197,0.1406081473,0.1406081473,GGA,Pmna,ABC3_oP20_53_g_e_hi:Ag-I-Se,20.0,"Invalid WP multiplicities - ABC3_oP20_53_g_e_3h4i:Ag-I-Se, expected AgSe11I to be AgSe3I" +mp-1222987,LaNi5H6,-4.8260179467,-0.3099307154,0.0090145259,0.0090145259,GGA,P3m1,A6BC5_hP12_156_2d_a_bcd:H-La-Ni,12.0,A6BC5_hP12_156_2d_a_bcd:H-La-Ni +mp-1222892,LaNi5H6,-4.7618142192,-0.2457269879,0.0732182534,0.0732182534,GGA,P6mm,A6BC5_hP12_183_e_a_bc:H-La-Ni,12.0,A6BC5_hP12_183_e_a_bc:H-La-Ni +mp-1192500,LaNi5H7,-4.7496159065,-0.3199410742,0.0007668154,-0.0211453608,GGA,P31c,A7BC5_hP26_159_b2c_a_2bc:H-La-Ni,26.0,A7BC5_hP26_159_b2c_a_2bc:H-La-Ni +mp-23671,LaNi5H7,-4.7503827219,-0.3207078896,0.0,-0.0219121762,GGA,P6_3mc,A7BC5_hP26_186_b2c_a_2bc:H-La-Ni,26.0,A7BC5_hP26_186_b2c_a_2bc:H-La-Ni +mp-24805,LaNiSnH2,-4.94541125,-0.6431777040000001,0.0,-0.0447328234,GGA,P6_3/mmc,A2BCD_hP10_194_f_a_c_d:H-La-Ni-Sn,10.0,A2BCD_hP10_194_f_a_c_d:H-La-Ni-Sn +mp-510577,LaNiSnH,-5.1803556337,-0.6507452125000001,0.0,-0.0112426825,GGA,Pnma,ABCD_oP16_62_c_c_c_c:H-La-Ni-Sn,16.0,ABCD_oP16_62_c_c_c_c:H-La-Ni-Sn +mp-12996,LaMg2Pd,-3.87370426,-0.5445920062,0.0,-0.0343525891,GGA,Cmcm,AB2C_oC16_63_c_f_c:La-Mg-Pd,8.0,AB2C_oC16_63_c_f_c:La-Mg-Pd +mp-703316,LaMg2H7,-3.6503690818,-0.4618041298,0.0,-0.0049821467,GGA,P4_12_12,A7BC2_tP40_92_a3b_a_b:H-La-Mg,40.0,A7BC2_tP40_92_a3b_a_b:H-La-Mg +mp-1078841,LaMgPd,-4.5711587022,-0.6657690472000001,0.0,-0.0254473672,GGA,P-62m,ABC_hP9_189_f_g_ad:La-Mg-Pd,9.0,ABC_hP9_189_f_g_ad:La-Mg-Pd +mp-1180682,LaMg2H7Pd,-3.7395780709,-0.3699843136,0.1021610258,0.1021610258,GGA,P2_12_12_1,A7BC2D_oP44_19_7a_a_2a_a:H-La-Mg-Pd,44.0,A7BC2D_oP44_19_7a_a_2a_a:H-La-Mg-Pd +mp-1110596,Rb2AlAuF6,-4.910810411,-2.865870433,0.1363182611,0.1363182611,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-Rb +mp-541819,Rb2Hg(BSe)9,-5.1041534633,-0.6354640468,0.0,-0.0755023259,GGA,P-1,A9BC2D9_aP42_2_9i_i_2i_9i:B-Hg-Rb-Se,42.0,A9BC2D9_aP42_2_9i_i_2i_9i:B-Hg-Rb-Se +mp-541818,Rb4(BSe)9,-5.1155876007,-0.7746846222,0.0,-0.1427481048,GGA,P-1,A9B4C9_aP44_2_9i_4i_9i:B-Rb-Se,44.0,A9B4C9_aP44_2_9i_4i_9i:B-Rb-Se +mp-16184,Rb2B2Se7,-4.4372633159,-0.8198785859000001,0.0,-0.0387753529,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:B-Rb-Se,22.0,A2B2C7_mC44_15_f_f_e3f:B-Rb-Se +mp-10552,RbBSe3,-4.462325289,-0.8327932337,0.002148952,0.002148952,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:B-Rb-Se,20.0,ABC3_mP20_14_e_e_3e:B-Rb-Se +mp-1256766,PrAl22O34,-7.8716239275,-3.3914311171,0.0370738703,0.0370738703,GGA,P1,A22B34C_aP57_1_22a_34a_a:Al-O-Pr,57.0,A22B34C_aP57_1_22a_34a_a:Al-O-Pr +mp-530358,PrAl22O34,-7.8709643854,-3.390771575,0.0377334124,0.0377334124,GGA,P-1,A22B34C_aP114_2_ac21i_34i_bh:Al-O-Pr,114.0,"Invalid WP multiplicities - A22B34C_aP114_2_ac42i_68i_bh:Al-O-Pr, expected PrAl43O68 to be PrAl22O34" +mp-765486,PrAl22O34,-7.86283299,-3.3826401795,0.0458648079,0.0458648079,GGA,Pm,A22B34C_mP57_6_7a7b4c_9a9b8c_a:Al-O-Pr,57.0,"Invalid WP multiplicities - A22B34C_mP57_6_7a7b6c_9a9b14c_a:Al-O-Pr, expected PrAl26O46 to be PrAl22O34" +mp-1222874,LaPr3Al4O12,-8.3527260855,-3.6716614742,0.0037213438,0.0037213438,GGA,P-42m,A4BC12D3_tP20_111_m_a_ef2n_bcd:Al-La-O-Pr,20.0,"Invalid WP multiplicities - A4BC12D3_tP20_111_m_a_2e2f7n_bcd:Al-La-O-Pr, expected LaPr3Al4O36 to be LaPr3Al4O12" +mp-1222844,LaPr3Al4O12,-8.3548136495,-3.6737490382,0.0016337798,0.0016337798,GGA,R32,A4BC12D3_hR60_155_2c_a_def_bc:Al-La-O-Pr,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_155_3c_a_3d3ef_bc:Al-La-O-Pr, expected LaPr3Al6O24 to be LaPr3Al4O12" +mp-1222762,LaPrAl4,-4.6100015583000005,-0.4934655283,0.0023472008,0.0023472008,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-Pr,6.0,A4BC_cF24_216_e_a_c:Al-La-Pr +mp-3466,PrAlO3,-8.332834387,-3.6595248432,0.0,-0.0779376376,GGA,R-3c,AB3C_hR30_167_b_e_a:Al-O-Pr,10.0,AB3C_hR30_167_b_e_a:Al-O-Pr +mp-8218,PrAlO3,-8.314810974,-3.6415014302,0.018023413,-0.0599142246,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Pr,5.0,AB3C_cP5_221_b_c_a:Al-O-Pr +mp-1222789,LaPrAl6,-4.4624594313,-0.4386634513,0.0009707969,0.0009707969,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Al-La-Pr,8.0,A6BC_hP8_187_jk_a_d:Al-La-Pr +mp-550566,EuBi2ClO4,-7.1592172188,-2.2125582731,0.0,-0.0479827049,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Eu-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Eu-O +mp-1078184,Eu4Bi2O,-9.2502233357,-1.5851270255,0.0,-0.0377549026,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Bi-Eu-O,7.0,A2B4C_tI14_139_e_ce_a:Bi-Eu-O +mp-1205514,Ba2PuTaO6,-9.349624535,-3.3852547242,0.0093375825,0.0093375825,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Ta +mp-1173611,Nb(Br3O)2,-3.6267156961,-0.3697320914,0.7634617597000001,0.7634617597000001,GGA,Pmn2_1,A6BC2_oP18_31_6a_a_2a:Br-Nb-O,18.0,"Invalid WP multiplicities - A6BC2_oP18_31_12a_a_4a:Br-Nb-O, expected Nb(Br3O)4 to be Nb(Br3O)2" +mp-555275,NbTe7Br5O,-4.0177666754,-0.8166040572000001,0.0269588749,0.0269588749,GGA,Pcca,A5BCD7_oP56_54_c2f_d_d_b3f:Br-Nb-O-Te,56.0,"Invalid WP multiplicities - A5BCD7_oP56_54_3c10f_d_d_3b16f:Br-Nb-O-Te, expected NbTe35Br23O to be NbTe7Br5O" +mp-28038,NbTeBr3,-4.806260205,-1.2255210203,0.0,-0.0123620336,GGA,P2/c,A3BC_mP20_13_3g_g_g:Br-Nb-Te,20.0,A3BC_mP20_13_3g_g_g:Br-Nb-Te +mp-550070,NbBr2O,-6.5564039962,-2.0178913934,0.0,-0.0438124565,GGA,C2,A2BC_mC16_5_2c_c_c:Br-Nb-O,8.0,"Invalid WP multiplicities - A2BC_mC16_5_3c_c_c:Br-Nb-O, expected NbBr3O to be NbBr2O" +mp-1220556,NbBr3O,-5.811502866,-1.8700871177,0.0,-0.0208148968,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Br-Nb-O,20.0,A3BC_mP20_14_3e_e_e:Br-Nb-O +mp-606393,NbBr3O,-5.8076176195,-1.8662018712,0.0038852465,-0.0169296503,GGA,P-42_1m,A3BC_tP20_113_ef_e_e:Br-Nb-O,20.0,"Invalid WP multiplicities - A3BC_tP20_113_2e2f_e_e:Br-Nb-O, expected NbBr6O to be NbBr3O" +mp-1207225,Gd2NiO4,-10.6149930143,-2.9408307279,0.1903576629,0.1903576629,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:Gd-Ni-O,7.0,A2BC4_tI14_139_e_a_ce:Gd-Ni-O +mp-19332,BaGd2NiO5,-9.8017008389,-3.0700564326,0.0057277747,0.0057277747,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Gd-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Gd-Ni-O +mp-505604,GdNiO3,-9.389624715,-2.4503597042000003,0.0,-0.0134494761,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Gd-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Gd-Ni-O +mp-1189749,Mg2GaB2Ir5,-6.914234586,-0.5362735296,0.0,-0.1115999254,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Ir-Mg +mp-865186,MgGaIr2,-6.0414487775,-0.4651376694,0.0,-0.0557766677,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ir-Mg,4.0,AB2C_cF16_225_a_c_b:Ga-Ir-Mg +mp-1017241,Mg6GaB,-2.2412021275,0.1724438842,0.2632206073,0.2632206073,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Ga-Mg,8.0,ABC6_oC16_38_a_b_abde:B-Ga-Mg +mp-1098205,Mg6GaB,-2.1088422175,0.3048037942,0.3955805173,0.3955805173,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Ga-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Ga-Mg +mp-1026500,Mg14GaB,-1.8541354556,0.1528275752,0.2115562378,0.2115562378,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Ga-Mg, expected Mg18GaB to be Mg14GaB" +mp-1026430,Mg14GaB,-1.8592674644,0.1476955665,0.2064242291,0.2064242291,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Ga-Mg, expected Mg26GaB to be Mg14GaB" +mp-1222976,LaTaBi2O7,-8.0998984895,-2.7270272192,0.0550440239,0.0550440239,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Bi-La-O-Ta,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Bi-La-O-Ta, expected LaTaBi2O13 to be LaTaBi2O7" +mp-1223035,LaHo3Mn8O20,-8.6136768262,-2.6476415051,0.0230985248,0.0230985248,GGA+U,Pm,A3BC8D20_mP32_6_3a_a_4b2c_4a4b6c:Ho-La-Mn-O,32.0,"Invalid WP multiplicities - A3BC8D20_mP32_6_3a_a_4b4c_4a4b12c:Ho-La-Mn-O, expected LaHo3Mn12O32 to be LaHo3Mn8O20" +mp-1097287,Mg2CuRh,-1.895073465,1.770945195,2.0988899887,2.0988899887,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Mg-Rh,4.0,AB2C_oI8_71_a_e_b:Cu-Mg-Rh +mp-2233262,MgCu2(RhS2)4,-5.5262878373,-0.7031195837,0.1160307671,0.1160307671,GGA,Imm2,A2BC4D8_oI30_44_ab_a_cd_2c2d:Cu-Mg-Rh-S,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_ab_a_cd_2c4d:Cu-Mg-Rh-S, expected MgCu2(RhS3)4 to be MgCu2(RhS2)4" +mp-2232837,MgCu2(RhS2)4,-5.5721588007000005,-0.748990547,0.0701598037,0.0701598037,GGA,R-3m,A2BC4D8_hR45_166_c_b_ad_ch:Cu-Mg-Rh-S,15.0,"Invalid WP multiplicities - A2BC4D8_hR45_166_c_b_a2d_2c3h:Cu-Mg-Rh-S, expected MgCu2Rh7S22 to be MgCu2(RhS2)4" +mp-2232976,MgCu2(RhS2)4,-5.317262598,-0.4940943443,0.3250560064,0.3250560064,GGA,F-43m,A2BC4D8_cF60_216_ac_b_e_2e:Cu-Mg-Rh-S,15.0,"Invalid WP multiplicities - A2BC4D8_cF60_216_ac_b_e_5e:Cu-Mg-Rh-S, expected MgCu2(RhS5)4 to be MgCu2(RhS2)4" +mp-15613,Cu(RhS2)2,-5.7701996536,-0.7168250996000001,0.0,-0.0451808477,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Rh-S,14.0,AB2C4_cF56_227_a_d_e:Cu-Rh-S +mp-1220490,Rb4Sn(SeO)4,-4.0728540065,-0.8649994757,0.680828035,0.680828035,GGA,P-1,A4B4C4D_aP26_2_4i_4i_4i_i:O-Rb-Se-Sn,26.0,A4B4C4D_aP26_2_4i_4i_4i_i:O-Rb-Se-Sn +mp-1220142,Rb2Sn4Se9O,-4.0924144661,-0.6918364926,0.2695384188,0.2695384188,GGA,Pna2_1,AB2C9D4_oP64_33_a_2a_9a_4a:O-Rb-Se-Sn,64.0,"Invalid WP multiplicities - AB2C9D4_oP64_33_a_2a_24a_14a:O-Rb-Se-Sn, expected Rb2Sn14Se24O to be Rb2Sn4Se9O" +mp-17803,Nb2Tl4S11,-5.2907731721,-0.8699419249,0.0,-0.0358015115,GGA,P-1,A2B11C4_aP34_2_2i_11i_4i:Nb-S-Tl,34.0,A2B11C4_aP34_2_2i_11i_4i:Nb-S-Tl +mp-1091384,NbTl3S4,-5.1181853113,-0.9013060678,0.0,-0.0624240061,GGA,I-43m,AB4C3_cI16_217_a_c_b:Nb-S-Tl,8.0,AB4C3_cI16_217_a_c_b:Nb-S-Tl +mp-555900,Nb2Tl5S4Cl9,-4.652179139,-1.392256378,0.0,-0.0011101755,GGA,Immm,A9B2C4D5_oI40_71_aln_g_m_bl:Cl-Nb-S-Tl,20.0,"Invalid WP multiplicities - A9B2C4D5_oI40_71_a4l3n_g_m_bl:Cl-Nb-S-Tl, expected Nb2Tl5S4Cl29 to be Nb2Tl5S4Cl9" +mp-1220483,Nb6TlS8,-7.7044344133,-1.3002962586,0.0,-0.0053879936,GGA,P-6,A6B8C_hP15_174_jk_adjk_e:Nb-S-Tl,15.0,A6B8C_hP15_174_jk_adjk_e:Nb-S-Tl +mp-1202676,Mg2As2O9,-6.0195360152,-1.6319209913,0.3011518065,0.3011518065,GGA,P2_1/c,A2B2C9_mP52_14_2e_2e_9e:As-Mg-O,52.0,A2B2C9_mP52_14_2e_2e_9e:As-Mg-O +mp-1199509,Mg2AsO5,-6.38473197,-2.3105917123,0.0707231409,0.0707231409,GGA,Pnnm,AB2C5_oP32_58_g_eg_3gh:As-Mg-O,32.0,AB2C5_oP32_58_g_eg_3gh:As-Mg-O +mp-1346171,TaAsO5,-8.1790445221,-2.2861388663,0.2419485025,0.1628347784,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:As-O-Ta,28.0,AB5C_oP28_19_a_5a_a:As-O-Ta +mp-1208608,TaAsO5,-8.4209930246,-2.5280873688,0.0,-0.0791137241,GGA,Pnma,AB5C_oP28_62_c_a2cd_c:As-O-Ta,28.0,AB5C_oP28_62_c_a2cd_c:As-O-Ta +mp-1208659,Ta9As2O25,-9.5031919922,-2.8447071794000003,0.2633532768,0.2633532768,GGA,I4/m,A2B25C9_tI72_87_d_a6h_b2h:As-O-Ta,36.0,A2B25C9_tI72_87_d_a6h_b2h:As-O-Ta +mp-754840,TaAsO4,-8.6202360942,-2.5696276142,0.0557561219,0.0557561219,GGA,Pc,AB4C_mP12_7_a_4a_a:As-O-Ta,12.0,"Invalid WP multiplicities - AB4C_mP12_7_a_8a_a:As-O-Ta, expected TaAsO8 to be TaAsO4" +mp-756401,TaAsO4,-8.5838135417,-2.5332050617,0.0921786744,0.0921786744,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:As-O-Ta,12.0,"Invalid WP multiplicities - AB4C_oC24_36_a_7a_a:As-O-Ta, expected TaAsO7 to be TaAsO4" +mp-770359,TaAsO4,-8.6355815771,-2.5849730971,0.040410639,0.040410639,GGA,Pnna,AB4C_oP24_52_c_2e_d:As-O-Ta,24.0,"Invalid WP multiplicities - AB4C_oP24_52_c_5e_d:As-O-Ta, expected TaAsO10 to be TaAsO4" +mp-5618,Mg2As2O7,-6.5705058418,-2.2845405792,0.0,-0.0167548514,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:As-Mg-O,11.0,A2B2C7_mC22_12_i_h_aij:As-Mg-O +mp-675309,Mg3(AsO4)2,-5.9640806854,-1.8338817123,0.6240668719,0.5862666388000001,GGA,P1,A2B3C8_aP39_1_6a_9a_24a:As-Mg-O,39.0,A2B3C8_aP39_1_6a_9a_24a:As-Mg-O +mp-756919,Mg3(AsO4)2,-6.5881475573,-2.4579485842,0.0,-0.0378002331,GGA,P2_1/c,A2B3C8_mP26_14_e_ae_4e:As-Mg-O,26.0,"Invalid WP multiplicities - A2B3C8_mP26_14_e_2a2e_15e:As-Mg-O, expected Mg3AsO15 to be Mg3(AsO4)2" +mp-770734,Mg3(AsO4)2,-6.5454264015,-2.4152274285,0.0427211558,0.0049209227,GGA,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Mg-O,52.0,"Invalid WP multiplicities - A2B3C8_mP52_14_3e_9e_31e:As-Mg-O, expected Mg9As3O31 to be Mg3(AsO4)2" +mp-770446,Mg3(AsO4)2,-6.574734094,-2.444535121,0.0134134633,-0.0243867698,GGA,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Mg-O,52.0,"Invalid WP multiplicities - A2B3C8_mP52_14_3e_5e_19e:As-Mg-O, expected Mg5As3O19 to be Mg3(AsO4)2" +mp-770741,Mg3(AsO4)2,-6.5609836546,-2.4307846815,0.0271639027,-0.0106363304,GGA,Cmce,A2B3C8_oC52_64_f_ae_2fg:As-Mg-O,26.0,"Invalid WP multiplicities - A2B3C8_oC52_64_f_a2e_3f2g:As-Mg-O, expected Mg5(AsO7)2 to be Mg3(AsO4)2" +mp-758196,Mg3(AsO4)2,-6.5730909126,-2.4428919395,0.0150566447,-0.0227435884,GGA,I-4,A2B3C8_tI78_82_acg_befg_6g:As-Mg-O,39.0,"Invalid WP multiplicities - A2B3C8_tI78_82_ac2g_b2e2f3g_20g:As-Mg-O, expected Mg21(AsO8)10 to be Mg3(AsO4)2" +mp-1204555,MgAsO8,-5.1528915202,-0.5696007057,0.6868966128,0.6868966128,GGA,Pbca,ABC8_oP80_61_c_c_8c:As-Mg-O,80.0,ABC8_oP80_61_c_c_8c:As-Mg-O +mp-1234994,MgTa4(AsO5)4,-8.2502644624,-2.5053803791,0.0973999095,0.0973999095,GGA,Pm,A4BC20D4_mP29_6_2a2b_a_4a4b6c_2a2b:As-Mg-O-Ta,29.0,"Invalid WP multiplicities - A4BC20D4_mP29_6_2a2b_a_4a4b12c_2a2b:As-Mg-O-Ta, expected MgTa4(AsO8)4 to be MgTa4(AsO5)4" +mp-757303,Mg17(As3O16)2,-6.5140039851,-2.6330310753,0.0040897109,-0.0016739921,GGA,P2/m,A6B17C32_mP55_10_bcmn_amn3o_4m4n4o:As-Mg-O,55.0,"Invalid WP multiplicities - A6B17C32_mP55_10_bcm2n_a2m2n10o_8m7n16o:As-Mg-O, expected Mg49(As4O47)2 to be Mg17(As3O16)2" +mp-531778,Mg17(As3O16)2,-6.518093696,-2.6371207862,0.0,-0.005763703,GGA,P2_1/c,A6B17C32_mP110_14_3e_a8e_16e:As-Mg-O,110.0,"Invalid WP multiplicities - A6B17C32_mP110_14_7e_2a32e_63e:As-Mg-O, expected Mg33(AsO9)7 to be Mg17(As3O16)2" +mp-1212217,MgAsO11,-5.020216654,-0.3530647864,0.6134716125,0.6134716125,GGA,C2/c,ABC11_mC104_15_f_2e_11f:As-Mg-O,52.0,ABC11_mC104_15_f_2e_11f:As-Mg-O +mp-1220049,NiRuS4,-5.9753306508,-0.7086075362,0.0300200754,0.0300200754,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Ni-Ru-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_d_4e:Ni-Ru-S, expected NiRuS8 to be NiRuS4" +mp-1045918,Mg2Ta2SnO8,-8.4011374,-2.9781222535,0.0606930078,0.0606930078,GGA,C2/c,A2B8CD2_mC52_15_f_4f_e_f:Mg-O-Sn-Ta,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Mg-O-Sn-Ta, expected Mg2Ta2SnO10 to be Mg2Ta2SnO8" +mp-1331701,Mg2TaSnO6,-7.596330727,-2.7215265418,0.1958109998,0.1958109998,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sn-Ta,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Mg-O-Sn-Ta, expected Mg3TaSnO18 to be Mg2TaSnO6" +mp-5769,Li3SbO4,-5.9196692762000005,-2.2143536906,0.0,-0.0405150889,GGA,P2/c,A3B4C_mP16_13_e2f_2g_e:Li-O-Sb,16.0,"Invalid WP multiplicities - A3B4C_mP16_13_e2f_5g_e:Li-O-Sb, expected Li3SbO10 to be Li3SbO4" +mp-29892,LiSb3O8,-6.4501136958,-1.9609940061,0.0,-0.0797526719,GGA,P2_1/c,AB8C3_mP24_14_a_4e_de:Li-O-Sb,24.0,AB8C3_mP24_14_a_4e_be:Li-O-Sb +mp-37436,Li7SbO6,-5.5301315357,-2.1607319947,0.0087463121,0.0087463121,GGA,P1,A7B6C_aP14_1_7a_6a_a:Li-O-Sb,14.0,A7B6C_aP14_1_7a_6a_a:Li-O-Sb +mp-27453,Li7SbO6,-5.5163518079,-2.1469522668,0.02252604,0.02252604,GGA,R3,A7B6C_hR42_146_a2b_2b_a:Li-O-Sb,14.0,"Invalid WP multiplicities - A7B6C_hR42_146_a2b_4b_a:Li-O-Sb, expected Li7SbO12 to be Li7SbO6" +mp-836278,LiSb(MoO4)2,-7.6014426742,-1.9928815061,0.0386870118,0.0386870118,GGA+U,C2/c,AB2C8D_mC48_15_c_f_4f_e:Li-Mo-O-Sb,24.0,AB2C8D_mC48_15_a_f_4f_e:Li-Mo-O-Sb +mp-756951,LiSbO3,-6.253422082,-2.0778240339,0.0411334395,-0.015486154,GGA,C2/m,AB3C_mC20_12_g_ij_h:Li-O-Sb,10.0,AB3C_mC20_12_g_ij_h:Li-O-Sb +mp-770932,LiSbO3,-6.29452644,-2.1189283919,2.9081500000000003e-05,-0.056590512,GGA,C2/m,AB3C_mC20_12_i_ij_g:Li-O-Sb,10.0,AB3C_mC20_12_i_ij_g:Li-O-Sb +mp-4995,LiSbO3,-6.2945555215,-2.1189574734,0.0,-0.0566195935,GGA,Pnna,AB3C_oP20_52_c_de_c:Li-O-Sb,20.0,"Invalid WP multiplicities - AB3C_oP20_52_c_2d3e_c:Li-O-Sb, expected LiSbO8 to be LiSbO3" +mp-752636,LiSbO3,-6.205745034,-2.0301469859,0.0888104875,0.032190894,GGA,P2_13,AB3C_cP20_198_a_b_a:Li-O-Sb,20.0,AB3C_cP20_198_a_b_a:Li-O-Sb +mp-1198780,LiSbO2,-5.9762817875,-1.9934564052,0.0,-0.0304148119,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:Li-O-Sb,32.0,AB2C_mP32_14_2e_4e_2e:Li-O-Sb +mp-755703,LiSbO2,-5.943072605,-1.9602472227,0.0332091825,0.0027943706,GGA,C2/c,AB2C_mC16_15_e_f_e:Li-O-Sb,8.0,AB2C_mC16_15_e_f_e:Li-O-Sb +mp-756908,Li3SbO3,-5.5055234393,-1.9775468716,0.095592865,0.095592865,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C_cP28_198_9a_b_a:Li-O-Sb, expected Li9SbO3 to be Li3SbO3" +mp-756935,Li3SbO3,-5.5919544379,-2.0639778702,0.0091618664,0.0091618664,GGA,I-43m,A3B3C_cI56_217_g_g_c:Li-O-Sb,28.0,A3B3C_cI56_217_g_g_c:Li-O-Sb +mp-1102716,Li8SbO3,-4.1461987758,-1.2928279169,0.4129820835,0.4129820835,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:Li-O-Sb,12.0,A8B3C_cP12_221_g_c_a:Li-O-Sb +mp-29364,Li5SbO5,-5.6903353991,-2.1987845691,0.0,-0.0185537759,GGA,C2/m,A5B5C_mC22_12_c2i_b2i_a:Li-O-Sb,11.0,"Invalid WP multiplicities - A5B5C_mC22_12_c3i_a3i_b:Li-O-Sb, expected Li7SbO7 to be Li5SbO5" +mp-1226261,DyFe5Bi4O15,-7.3366702882,-1.8759030851,0.043992208,0.043992208,GGA+U,P1,A4BC5D15_aP50_1_8a_2a_10a_30a:Bi-Dy-Fe-O,50.0,A4BC5D15_aP50_1_8a_2a_10a_30a:Bi-Dy-Fe-O +mp-551451,FeBiO3,-6.677269874,-1.2471545793,0.437927117,0.437927117,GGA+U,P1,ABC3_aP5_1_a_a_3a:Bi-Fe-O,5.0,ABC3_aP5_1_a_a_3a:Bi-Fe-O +mp-1181856,FeBiO3,-6.699512562,-1.2693972673,0.415684429,0.415684429,GGA+U,Cm,ABC3_mC10_8_a_a_ab:Bi-Fe-O,5.0,ABC3_mC10_8_a_a_ab:Bi-Fe-O +mp-1181670,FeBiO3,-5.417101346,0.0130139487,1.698095645,1.698095645,GGA+U,Cc,ABC3_mC20_9_a_a_3a:Bi-Fe-O,10.0,"Invalid WP multiplicities - ABC3_mC20_9_a_a_4a:Bi-Fe-O, expected FeBiO4 to be FeBiO3" +mp-1182718,FeBiO3,-3.70158609,1.7285292048,3.413610901,3.413610901,GGA+U,Cc,ABC3_mC20_9_a_a_3a:Bi-Fe-O,10.0,"Invalid WP multiplicities - ABC3_mC20_9_a_a_4a:Bi-Fe-O, expected FeBiO4 to be FeBiO3" +mp-1181394,FeBiO3,-6.8585577465,-1.4284424518,0.2566392445,0.2566392445,GGA+U,P2_1/m,ABC3_mP10_11_a_e_d2e:Bi-Fe-O,20.0,"Invalid WP multiplicities - ABC3_mP10_11_a_e_2c4e:Bi-Fe-O, expected FeBiO6 to be FeBiO3" +mp-1193035,FeBiO3,-7.05878573,-1.6286704352,0.056411261,0.056411261,GGA+U,C2/m,ABC3_mC60_12_3i_ej_gh3i2j:Bi-Fe-O,30.0,ABC3_mC60_12_3i_ej_gh3i2j:Bi-Fe-O +mp-645159,FeBiO3,-7.103591225,-1.6734759302,0.011605766,0.011605766,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Bi-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Bi-Fe-O +mp-555351,FeBiO3,-6.859807798,-1.4296925032,0.255389193,0.255389193,GGA+U,Cmcm,ABC3_oC20_63_a_c_bg:Bi-Fe-O,10.0,ABC3_cP5_221_a_b_c:Bi-Fe-O +mp-1069079,FeBiO3,-7.088385497,-1.6582702023,0.026811494,0.026811494,GGA+U,P4mm,ABC3_tP5_99_b_a_ac:Bi-Fe-O,10.0,ABC3_tP5_99_b_a_ac:Bi-Fe-O +mp-1181635,FeBiO3,-5.012193886,0.4179214088,2.103003105,2.103003105,GGA+U,P4/mmm,ABC3_tP5_123_a_b_cf:Bi-Fe-O,5.0,ABC3_oC10_65_b_c_ae:Bi-Fe-O +mp-655631,FeBiO3,-6.6749197460000005,-1.2448044513,0.440277245,0.440277245,GGA+U,R3,ABC3_hR15_146_a_a_b:Bi-Fe-O,5.0,ABC3_hR15_146_a_a_b:Bi-Fe-O +mp-548231,FeBiO3,-7.053073916,-1.6229586212,0.062123075,0.062123075,GGA+U,R3,ABC3_hR30_146_2a_2a_2b:Bi-Fe-O,10.0,ABC3_hR30_161_a_a_b:Bi-Fe-O +mp-654759,FeBiO3,-6.52657535,-1.0964600553,0.588621641,0.588621641,GGA+U,R3,ABC3_hR15_146_a_a_b:Bi-Fe-O,5.0,ABC3_hR15_146_a_a_b:Bi-Fe-O +mp-22949,FeBiO3,-7.08161758,-1.6515022852,0.033579411,0.033579411,GGA+U,R3m,ABC3_hR15_160_a_a_b:Bi-Fe-O,10.0,ABC3_hR15_160_a_a_b:Bi-Fe-O +mp-23501,FeBiO3,-7.113564488,-1.6834491932,0.001632503,0.001632503,GGA+U,R3c,ABC3_hR30_161_a_a_b:Bi-Fe-O,10.0,ABC3_hR30_161_a_a_b:Bi-Fe-O +mp-547069,FeBiO3,-6.859884236,-1.4297689412,0.255312755,0.255312755,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Fe-O,10.0,ABC3_cP5_221_a_b_c:Bi-Fe-O +mp-531102,Fe(Bi5O8)5,-6.1800799458,-1.5990224017,0.0526313623,0.0526313623,GGA+U,C2,A25BC40_mC132_5_a12c_b_20c:Bi-Fe-O,,"Invalid WP multiplicities - A25BC40_mC132_5_a23c_b_37c:Bi-Fe-O, expected FeBi47O74 to be Fe(Bi5O8)5" +mp-759730,Fe(Bi5O8)5,-6.2040326168,-1.6229750727,0.0286786912,0.0286786912,GGA+U,P23,A25BC40_cP66_195_a2j_b_4e2j:Bi-Fe-O,66.0,"Invalid WP multiplicities - A25BC40_cP66_195_a8j_b_8e11j:Bi-Fe-O, expected FeBi97O164 to be Fe(Bi5O8)5" +mp-504615,Fe4Bi2O9,-7.4197623203,-1.6810115536,0.0116611537,0.0116611537,GGA+U,Pbam,A2B4C9_oP30_55_h_fg_aghi:Bi-Fe-O,30.0,A2B4C9_oP30_55_h_fg_aghi:Bi-Fe-O +mp-1196085,Fe4Bi2O9,-7.4143260927,-1.6755753259,0.0170973813,0.0170973813,GGA+U,Pnma,A2B4C9_oP60_62_d_2cd_3c3d:Bi-Fe-O,60.0,A2B4C9_oP60_62_d_2cd_3c3d:Bi-Fe-O +mp-530917,Fe10Bi5O24,-7.2013571108,-1.4930702692,0.1632388886,0.1632388886,GGA+U,I4_122,A5B10C24_tI156_98_a2f_c2fg_6g:Bi-Fe-O,78.0,"Invalid WP multiplicities - A5B10C24_tI156_98_2a8f_4c6f6g_42g:Bi-Fe-O, expected Fe22(Bi3O28)3 to be Fe10Bi5O24" +mp-757766,FeBi25O39,-6.2142784326000005,-1.6388459834,0.0252144516,0.0252144516,GGA+U,P1,A25BC39_aP65_1_25a_a_39a:Bi-Fe-O,65.0,A25BC39_aP65_1_25a_a_39a:Bi-Fe-O +mp-698573,FeBi25O39,-6.2123658131,-1.6369333639,0.0271270712,0.0271270712,GGA+U,R3,A25BC39_hR195_146_a8b_a_3a12b:Bi-Fe-O,65.0,"Invalid WP multiplicities - A25BC39_hR195_146_a24b_a_3a36b:Bi-Fe-O, expected FeBi73O111 to be FeBi25O39" +mp-531715,Fe5(BiO4)3,-7.244443161399999,-1.5828512626,0.1079236919,0.1079236919,GGA+U,Ia-3d,A3B5C12_cI160_230_c_ad_h:Bi-Fe-O,80.0,"Invalid WP multiplicities - A3B5C12_cI160_230_c_6a7d_h:Bi-Fe-O, expected Fe11BiO4 to be Fe5(BiO4)3" +mp-18285,PrCo9Si4,-6.9151729175,-0.4539559154,0.0,-0.0138633611,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Co-Pr-Si,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_d2k3l_a_l:Co-Pr-Si, expected PrCo21Si4 to be PrCo9Si4" +mp-1018892,PrCoSi,-6.4164189317,-0.6449050717,0.0,-0.0515917708,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Pr-Si,6.0,ABC_tP6_129_a_c_c:Co-Pr-Si +mp-1071216,Pr2Co2SiC,-6.8290681783,-0.4236630746,0.0,-0.0130036365,GGA,Immm,AB2C2D_oI12_71_a_g_f_b:C-Co-Pr-Si,6.0,AB2C2D_oI12_71_a_g_f_b:C-Co-Pr-Si +mp-5112,Pr(CoSi)2,-6.681611442,-0.711975961,0.0,-0.0928750705,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Pr-Si +mp-1219690,PrCo4Si,-6.679720685,-0.2398048575,0.0857060291,0.0857060291,GGA,Cmmm,A4BC_oC12_65_eh_c_a:Co-Pr-Si,6.0,A4BC_oC12_65_eh_c_a:Co-Pr-Si +mp-1219912,Pr2CoSi3,-6.038280635,-0.5472667358000001,0.1235617583,0.1235617583,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Co-Pr-Si,6.0,AB2C3_hP6_187_a_i_bcd:Co-Pr-Si +mp-567341,PrCoC2,-7.8296427538,-0.24300412,0.0,-0.1548773592,GGA,Cc,A2BC_mC16_9_2a_a_a:C-Co-Pr,8.0,A2BC_mC16_9_2a_a_a:C-Co-Pr +mp-1078182,Nd2Fe2Se2O3,-7.65456487,-2.2869841618,0.0400412419,0.0400412419,GGA+U,I4/mmm,A2B2C3D2_tI18_139_c_e_ad_e:Fe-Nd-O-Se,9.0,A2B2C3D2_tI18_139_c_e_ad_e:Fe-Nd-O-Se +mp-1101668,NaCeO2,-7.2571730988,-2.969925131,0.0436272802,0.0436272802,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ce-Na-O,8.0,ABC2_tI16_141_a_b_e:Ce-Na-O +mp-755581,NaCeO2,-7.23584709,-2.9485991223,0.064953289,0.064953289,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Na-O,4.0,ABC2_hR12_166_a_b_c:Ce-Na-O +mp-1210249,Na5CeO6,-5.4914201104,-1.9725994529,0.0987049073,0.0987049073,GGA,C2/m,AB5C6_mC24_12_a_dgh_ij:Ce-Na-O,24.0,AB5C6_mC24_12_a_cgh_ij:Ce-Na-O +mp-673702,Na2CeO3,-6.6069864589,-2.7039521463,0.1303262899,-0.0198166106,GGA,C2/c,AB2C3_mC144_15_2e2f_ce5f_9f:Ce-Na-O,72.0,"Invalid WP multiplicities - AB2C3_mC144_15_3e4f_2a2e18f_33f:Ce-Na-O, expected Na40Ce11O66 to be Na2CeO3" +mp-1173761,Na2CeO3,-6.7211847119,-2.8181503993,0.0161280368,-0.1340148636,GGA,C2/c,AB2C3_mC144_15_2e2f_ce5f_9f:Ce-Na-O,72.0,"Invalid WP multiplicities - AB2C3_mC144_15_3e4f_2a2e18f_33f:Ce-Na-O, expected Na40Ce11O66 to be Na2CeO3" +mp-1173855,Na2CeO3,-6.7367424386,-2.8337081260000003,0.0005703101,-0.1495725903,GGA,C2/c,AB2C3_mC144_15_2e2f_ae5f_9f:Ce-Na-O,72.0,"Invalid WP multiplicities - AB2C3_mC144_15_3e4f_2c2e18f_33f:Ce-Na-O, expected Na40Ce11O66 to be Na2CeO3" +mp-1221453,Na2CeO3,-6.7373127488,-2.8342784361,0.0,-0.1501429004,GGA,C2/c,AB2C3_mC48_15_2e_cef_3f:Ce-Na-O,24.0,AB2C3_mC48_15_2e_aef_3f:Ce-Na-O +mp-35404,Na2CeO3,-6.43618711,-2.5331527974,0.3011256388,0.1509827383,GGA,P4/mmm,AB2C3_tP6_123_a_e_bf:Ce-Na-O,6.0,AB2C3_tP6_123_a_e_bf:Ce-Na-O +mp-1211327,NaCe(SeO5)2,-5.9202152232,-1.3691920435,0.3667595779,0.3667595779,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:Ce-Na-O-Se,56.0,ABC10D2_mP56_14_e_e_10e_2e:Ce-Na-O-Se +mp-1224744,Gd3Si2BrO8,-10.29062519,-3.56165799,0.0067706654,0.0067706654,GGA,Ima2,AB3C8D2_oI56_46_b_bc_4c_c:Br-Gd-O-Si,28.0,AB3C8D2_oI56_46_b_bc_4c_c:Br-Gd-O-Si +mp-557926,CdAs2(XeF5)4,-3.5403254911,-1.7397550244,0.0,-0.0234583026,GGA,P2_12_12_1,A2BC20D4_oP108_19_2a_a_20a_4a:As-Cd-F-Xe,108.0,"Invalid WP multiplicities - A2BC20D4_oP108_19_4a_a_80a_9a:As-Cd-F-Xe, expected CdAs4Xe9F80 to be CdAs2(XeF5)4" +mp-1096703,NaTl2Ag,-1.3000710125,0.920020885,0.9987269007,0.9987269007,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Na-Tl,4.0,ABC2_oI8_71_a_b_e:Ag-Na-Tl +mp-1111314,Na2TlAgF6,-4.068026224,-2.1371138698,0.1251962293,0.1251962293,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Tl +mp-1400626,TlAgF3,-3.89810869,-1.7121814795,0.014893153,0.014893153,GGA,R3m,AB3C_hR15_160_a_b_a:Ag-F-Tl,5.0,AB3C_cP5_221_b_c_a:Ag-F-Tl +mp-1113177,Cs2HgMoF6,-4.973712466,-2.5328115636,0.0,-0.0018322558,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Mo,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Mo +mp-672248,TaAsPCl13,-4.3106385991,-1.438065154,0.0,-0.0043672367,GGA,Cmc2_1,AB13CD_oC64_36_a_5a4b_a_a:As-Cl-P-Ta,32.0,"Invalid WP multiplicities - AB13CD_oC64_36_a_9a16b_a_a:As-Cl-P-Ta, expected TaAsPCl41 to be TaAsPCl13" +mp-27788,TaPCl10,-4.4987877354,-1.5190838407,0.0,-0.0482233081,GGA,P-1,A10BC_aP24_2_10i_i_ab:Cl-P-Ta,24.0,A10BC_aP24_2_10i_i_ab:Cl-P-Ta +mp-1224032,In2CuTe3I,-3.4538243086,-0.524416,0.0568710746,0.0568710746,GGA,P1,ABC2D3_aP7_1_a_a_2a_3a:Cu-I-In-Te,7.0,ABC2D3_aP7_1_a_a_2a_3a:Cu-I-In-Te +mp-616327,In3Te3I,-3.3558547636,-0.6189497321,0.0,-0.0189560336,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:I-In-Te,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_9c_6c:I-In-Te, expected In9Te6I to be In3Te3I" +mp-29234,InTeI,-3.1709370358,-0.7148183781,0.0,-0.0403363472,GGA,P2_1/c,ABC_mP12_14_e_e_e:I-In-Te,12.0,ABC_mP12_14_e_e_e:I-In-Te +mp-680058,InTeI7,-2.4252267329,-0.6242762803,0.0,-0.0007452574,GGA,Pna2_1,A7BC_oP72_33_14a_2a_2a:I-In-Te,72.0,"Invalid WP multiplicities - A7BC_oP72_33_51a_4a_4a:I-In-Te, expected In4Te4I51 to be InTeI7" +mp-1199482,K2Gd2Sb2Se9,-5.9968217295,-1.3238718526,0.0,-0.0315053154,GGA,C2/m,A2B2C2D9_mC120_12_2j_2j_4i_gh12i2j:Gd-K-Sb-Se,60.0,A2B2C2D9_mC120_12_2j_2j_4i_gh12i2j:Gd-K-Sb-Se +mp-1226873,Ce2B4(IrRh)3,-7.9489265542,-0.6829289256000001,0.0013558125,0.0013558125,GGA,P2/m,A4B2C3D3_mP12_10_2n_n_am_cdg:B-Ce-Ir-Rh,12.0,"Invalid WP multiplicities - A4B2C3D3_mP12_10_4n_n_am_cdg:B-Ce-Ir-Rh, expected Ce2B8(IrRh)3 to be Ce2B4(IrRh)3" +mp-1226636,CeB2Ir2Rh,-8.071170595,-0.6823291072000001,0.0,-0.0028417367,GGA,Cmmm,A2BC2D_oC12_65_g_a_f_c:B-Ce-Ir-Rh,6.0,A2BC2D_oC12_65_g_a_f_c:B-Ce-Ir-Rh +mp-1227743,Ca3(Ru2O7)2,-7.2149092171,-1.8640496096,0.1000776193,0.1000776193,GGA,R-3m,A3B14C4_hR63_166_e_c2h_ad:Ca-O-Ru,21.0,"Invalid WP multiplicities - A3B14C4_hR63_166_e_c9h_ad:Ca-O-Ru, expected Ca3(RuO14)4 to be Ca3(Ru2O7)2" +mp-554638,Ca2Ru2O7,-7.3634430168,-2.1646406697,0.0,-0.0764566459,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ca-O-Ru,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ca-O-Ru, expected CaRuO10 to be Ca2Ru2O7" +mp-22161,CaYb2O4,-6.4589672929,-2.9058856807,0.1146316943,0.1146316943,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Yb,,AB4C2_oP28_62_c_4c_2c:Ca-O-Yb +mp-1214109,Ca2YbRuO6,-7.1213598275,-2.6708255427000003,0.0,-0.0679614142,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Ru-Yb,,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Ru-Yb +mp-1233058,CaYb4(Ru2O7)2,-7.2940141452,-2.3150887053,0.0877194827,0.0877194827,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Ca-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a8b_ab_ab:Ca-O-Ru-Yb, expected CaYb4(Ru2O13)2 to be CaYb4(Ru2O7)2" +mp-1233142,CaYb4(Ru2O7)2,-7.1656910426,-2.1867656027,0.2160425853,0.2160425853,GGA,F-43m,AB14C4D4_cF92_216_a_bcfg_e_e:Ca-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_cF92_216_a_bc2f2g_e_e:Ca-O-Ru-Yb, expected CaYb4(Ru2O13)2 to be CaYb4(Ru2O7)2" +mp-20947,CaRuO3,-7.4514657015,-2.2274519907,0.0,-0.0112803205,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Ru,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Ru +mp-1016835,CaRuO3,-7.286232304,-2.0622185933,0.1652333975,0.153953077,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Ru,5.0,AB3C_cP5_221_a_c_b:Ca-O-Ru +mp-21466,Ca2RuO4,-7.2457493136,-2.5211268643,0.0146689975,0.0146689975,GGA,Pbca,A2B4C_oP28_61_c_2c_a:Ca-O-Ru,28.0,A2B4C_oP28_61_c_2c_a:Ca-O-Ru +mp-4208,Ca2RuO4,-7.2285921829,-2.5039697336,0.0318261282,0.0318261282,GGA,Cmce,A2B4C_oC28_64_d_df_a:Ca-O-Ru,14.0,A2B4C_oC28_64_d_df_a:Ca-O-Ru +mp-3258,Ca3Ru2O7,-7.3382892058,-2.4055870643,0.0017321846,0.0017321846,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-Ru,24.0,A3B7C2_oC48_36_ab_a3b_b:Ca-O-Ru +mp-1209838,Nd2Br2O,-4.99049072,-1.4726826727,1.1475652173,1.1475652173,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Nd-O,5.0,A2B2C_tP5_123_g_g_a:Br-Nd-O +mp-1210487,Nd(BrO2)3,-4.972322263,-1.061585794,0.0587854754,0.0587854754,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Br-Nd-O,20.0,A3BC6_mP20_13_eg_f_3g:Br-Nd-O +mp-23068,NdBrO,-7.0681505633,-3.3121957387,0.0,-0.1560279286,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Nd-O,6.0,ABC_tP6_129_c_c_a:Br-Nd-O +mp-1025511,NdBrO2,-6.4198104513,-2.366172155,0.1307242121,0.1307242121,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Br-Nd-O,8.0,ABC2_mP8_11_e_e_2e:Br-Nd-O +mp-1210868,Nd7(BrO6)3,-6.4102499375,-1.8718030154,0.5600835152,0.5600835152,GGA,P6_3/m,A3B7C18_hP56_176_h_c2h_6h:Br-Nd-O,56.0,A3B7C18_hP56_176_h_c2h_6h:Br-Nd-O +mp-1180067,Nd(BrO6)3,-4.2983441684,0.17745716,0.6878758791,0.6878758791,GGA,Cmc2_1,A3BC18_oC88_36_ab_a_4a7b:Br-Nd-O,44.0,"Invalid WP multiplicities - A3BC18_oC88_36_2a2b_a_8a18b:Br-Nd-O, expected Nd(Br3O22)2 to be Nd(BrO6)3" +mp-1202017,Nd(BrO6)3,-4.2802416525,0.1955596759,0.705978395,0.705978395,GGA,Cmc2_1,A3BC18_oC88_36_ab_a_4a7b:Br-Nd-O,44.0,"Invalid WP multiplicities - A3BC18_oC88_36_2a2b_a_8a18b:Br-Nd-O, expected Nd(Br3O22)2 to be Nd(BrO6)3" +mp-553242,NdBi2BrO4,-6.60756865,-2.3839550416,0.0,-0.0696004495,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Nd-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Nd-O +mp-14968,Dy2Ru2O7,-8.2704846982,-2.5987392674,0.0197410709,0.0197410709,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Dy-O-Ru +mp-1225336,Dy3Bi(Ru2O7)2,-7.9802773227,-2.343363606,0.0113539284,0.0113539284,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Bi-Dy-O-Ru,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c4h_be:Bi-Dy-O-Ru, expected Dy3Bi(Ru2O13)2 to be Dy3Bi(Ru2O7)2" +mp-1225332,DyBiRu2O7,-7.6771983809,-2.0751163783,0.0158383523,0.0158383523,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Bi-Dy-O-Ru,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e4j_bd:Bi-Dy-O-Ru, expected DyBiRu2O21 to be DyBiRu2O7" +mp-1225388,DyBi3(Ru2O7)2,-7.3851034168,-1.8178531283,0.0093387984,0.0093387984,GGA,R-3m,A3BC14D4_hR66_166_d_a_c2h_be:Bi-Dy-O-Ru,22.0,"Invalid WP multiplicities - A3BC14D4_hR66_166_d_a_c4h_be:Bi-Dy-O-Ru, expected DyBi3(Ru2O13)2 to be DyBi3(Ru2O7)2" +mp-754311,Mg(ReO4)2,-8.3960506073,-2.3903375064,0.0134362509,-0.1760669626,GGA,P-3,AB8C2_hP11_147_a_dg_d:Mg-O-Re,11.0,"Invalid WP multiplicities - AB8C2_hP11_147_a_2d3g_d:Mg-O-Re, expected Mg(ReO11)2 to be Mg(ReO4)2" +mp-768770,Mg(ReO4)2,-8.3531062624,-2.3473931615,0.0563805958,-0.1331226178,GGA,P31m,AB8C2_hP33_157_ab_4c2d_2c:Mg-O-Re,33.0,"Invalid WP multiplicities - AB8C2_hP33_157_a2b_12c11d_5c:Mg-O-Re, expected Mg5(Re5O34)3 to be Mg(ReO4)2" +mp-1541458,Mg(ReO4)2,-8.4094868582,-2.4037737573,0.0,-0.1895032135,GGA,P-3m1,AB8C2_hP11_164_a_di_d:Mg-O-Re,11.0,"Invalid WP multiplicities - AB8C2_hP11_164_a_2d3i_d:Mg-O-Re, expected Mg(ReO11)2 to be Mg(ReO4)2" +mp-699243,La5MgRe3O16,-8.8112606148,-3.1008239544,0.0311093707,0.0311093707,GGA,P-1,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mg-O-Re,25.0,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mg-O-Re +mp-1176493,MgReO4,-8.00185066,-2.36325698,0.1071443625,0.1071443625,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Mg-O-Re,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2hi_c:Mg-O-Re, expected MgReO6 to be MgReO4" +mp-1104866,Mg(ReO6)2,-6.7658071887,-1.0425005917,0.7202668303,0.7202668303,GGA,P1,AB12C2_aP15_1_a_12a_2a:Mg-O-Re,15.0,AB12C2_aP15_1_a_12a_2a:Mg-O-Re +mp-1185941,MgReO3,-7.510970314,-1.7339956402,0.649530807,0.649530807,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Re,5.0,AB3C_cP5_221_a_c_b:Mg-O-Re +mp-1068167,Sr2Ge2Pb,-3.79681441,-0.5292764727,0.0,-0.01301401,GGA,Cmmm,A2BC2_oC10_65_g_a_h:Ge-Pb-Sr,5.0,A2BC2_oC10_65_g_a_h:Ge-Pb-Sr +mp-1218292,SrGe12Pb2O27,-6.8465008298,-2.1286028046,0.0041221567,0.0041221567,GGA,C2,A12B27C2D_mC84_5_ab5c_a13c_c_b:Ge-O-Pb-Sr,42.0,"Invalid WP multiplicities - A12B27C2D_mC84_5_ab8c_a25c_c_b:Ge-O-Pb-Sr, expected SrGe18Pb2O51 to be SrGe12Pb2O27" +mp-1192743,SrGePbO4,-6.6434985836,-2.3846524088,0.0,-0.0044019156,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Ge-O-Pb-Sr,28.0,AB4CD_oP28_19_a_4a_a_a:Ge-O-Pb-Sr +mp-1211690,KEr2Cl7,-4.9796552022,-2.6610958836,0.0,-0.0489481814,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:Cl-Er-K,40.0,A7B2C_mP40_14_7e_2e_e:Cl-Er-K +mp-1112473,K2ErAgCl6,-4.217690124,-2.1464608573,0.0315452094,0.0315452094,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Er-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Er-K +mp-1184906,K3Er,-1.3910153425,0.5837135702,0.5837135702,0.5837135702,GGA,P6_3/mmc,AB3_hP8_194_c_h:Er-K,8.0,AB3_hP8_194_c_h:Er-K +mp-1184895,K3Er,-1.38748041,0.5872485027000001,0.5872485027000001,0.5872485027000001,GGA,Fm-3m,AB3_cF16_225_a_bc:Er-K,4.0,AB3_cF16_225_a_bc:Er-K +mp-30197,K3ErCl6,-4.39736424,-2.4983506789,0.0,-0.0386856164,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-Er-K,40.0,A6BC3_mP40_14_6e_ad_3e:Cl-Er-K +mp-1111493,K3ErCl6,-4.328656644,-2.4296430829,0.068707596,0.0300219796,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Er-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Er-K +mp-14458,Na3Li3Cr2F12,-5.7142231149,-3.1173137634,0.0,-0.0055998341,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Cr-F-Li-Na,80.0,A2B12C3D3_cI160_230_a_h_d_c:Cr-F-Li-Na +mp-1111349,NaLi2CrF6,-5.491641576,-2.8654123458000003,0.2641883849,0.2641883849,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-Li-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-Li-Na +mp-1114241,Na2LiCrF6,-5.619748604,-3.0521591311,0.0491344421,0.0491344421,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-Li-Na +mp-1188408,Zr5Sn3B,-7.4981713778,-0.6707702127,0.0,-0.0270505998,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:B-Sn-Zr +mp-21573,Ni21(SnB3)2,-6.1251735283,-0.2810919898,0.0,-0.0185944649,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Sn,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a2f3h_c:B-Ni-Sn, expected Ni53(SnB3)2 to be Ni21(SnB3)2" +mp-1193952,Zr3(Ni10B3)2,-6.7022980231,-0.4498088467,0.0,-0.0293588004,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Zr,29.0,A6B20C3_cF116_225_e_fh_ac:B-Ni-Zr +mp-29724,Ni20(SnB2)3,-6.0538341366,-0.2708065576,0.0093133299,0.0093133299,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Sn,29.0,"Invalid WP multiplicities - A6B20C3_cF116_225_e_3f3h_ac:B-Ni-Sn, expected Ni20SnB2 to be Ni20(SnB2)3" +mp-5172,Zr2(Ni7B2)3,-6.5295712083,-0.3725152716,0.0,-0.0001331416,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Zr,29.0,A6B21C2_cF116_225_e_afh_c:B-Ni-Zr +mp-1216773,Zr8Ni61B18,-6.6275782494,-0.4069001529,0.0171441687,0.0171441687,GGA,P-3m1,A18B61C8_hP87_164_3i_ac2dg6ij_c3d:B-Ni-Zr,87.0,"Invalid WP multiplicities - A18B61C8_hP87_164_18i_a2c4d6g36i8j_2c5d:B-Ni-Zr, expected Zr14Ni361B108 to be Zr8Ni61B18" +mp-1192007,Rb2As2Se6O,-4.1054019209,-0.7234507816,0.2076333299,0.2076333299,GGA,C2/c,A2BC2D6_mC44_15_f_e_f_3f:As-O-Rb-Se,22.0,A2BC2D6_mC44_15_f_e_f_3f:As-O-Rb-Se +mp-1216856,TiMn2VAs4,-7.172681035,-0.4301932486,0.0596752647,0.0596752647,GGA,P2/m,A4B2CD_mP8_10_mn_bg_c_e:As-Mn-Ti-V,8.0,"Invalid WP multiplicities - A4B2CD_mP8_10_2mn_bd_h_c:As-Mn-Ti-V, expected TiMn2VAs6 to be TiMn2VAs4" +mp-20791,MnVAs,-7.8845431017,-0.249529846,0.1014221279,0.1014221279,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Mn-V,6.0,ABC_tP6_129_c_c_a:As-Mn-V +mp-865678,TiMn2V,-9.10278673,-0.2769295623,0.0,-0.0151638288,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Ti-V,4.0,A2BC_cF16_225_c_a_b:Mn-Ti-V +mp-1079806,TiMnAs,-7.6348443244,-0.3959690865,0.2577693156,0.2174492929,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Mn-Ti,9.0,ABC_hP9_189_ad_f_g:As-Mn-Ti +mp-1205741,TiMnAs,-7.89261364,-0.6537384021,0.0,-0.0403200226,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Mn-Ti,9.0,ABC_hP9_189_ad_g_f:As-Mn-Ti +mp-1216769,TiMnV2,-8.835273825,-0.0289439628,0.1153590204,0.1153590204,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Mn-Ti-V,4.0,ABC2_oC8_35_a_b_ab:Mn-Ti-V +mp-1216670,TiVAs2,-7.22517386,-0.6507651358000001,0.0583992744,0.0583992744,GGA,P-3m1,A2BC_hP4_164_d_a_b:As-Ti-V,4.0,A2BC_hP4_164_d_a_b:As-Ti-V +mp-1217200,Ti2Mn3V,-8.9667432292,-0.2399205659,0.0228698212,0.0228698212,GGA,Amm2,A3B2C_oC24_38_abcd_2c_e:Mn-Ti-V,12.0,"Invalid WP multiplicities - A3B2C_oC24_38_abcd_3c_e:Mn-Ti-V, expected Ti3Mn3V to be Ti2Mn3V" +mp-1216731,TiMnV,-8.76619147,-0.0523870104,0.1370010256,0.1370010256,GGA,Fmm2,ABC_oF12_42_a_a_a:Mn-Ti-V,3.0,ABC_oF12_42_a_a_a:Mn-Ti-V +mp-1221559,MnVAs2,-7.2611396325,-0.3701000895,0.0142868444,0.0142868444,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:As-Mn-V,8.0,A2BC_oP8_26_ab_a_b:As-Mn-V +mp-1217201,Ti4Mn5V3,-8.95245726,-0.2321436986,0.0,-0.0001769814,GGA,Amm2,A5B4C3_oC24_38_ade_2c_bc:Mn-Ti-V,12.0,"Invalid WP multiplicities - A5B4C3_oC24_38_ade_3c_bc:Mn-Ti-V, expected Ti6Mn5V3 to be Ti4Mn5V3" +mp-754128,Ba3Hf2O7,-8.6686036992,-3.6437600443,0.0,-0.0023431808,GGA,I4/mmm,A3B2C7_tI24_139_ae_e_beg:Ba-Hf-O,12.0,"Invalid WP multiplicities - A3B2C7_tI24_139_ae_e_be2g:Ba-Hf-O, expected Ba3Hf2O11 to be Ba3Hf2O7" +mp-631500,BaHfMg2,-3.1979020625,0.571278955,0.6252702681,0.6252702681,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ba-Hf-Mg,4.0,ABC2_cF16_216_a_c_bd:Ba-Hf-Mg +mp-754363,Ba2HfO4,-8.3345008543,-3.5370874607,0.0,-0.0103961579,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Ba-Hf-O,7.0,A2BC4_tI14_139_e_a_ce:Ba-Hf-O +mp-1038614,BaHfMg30O32,-6.3211949148,-2.9121542237,0.1517435657,0.1517435657,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Hf-Mg-O, expected BaHfMg110O72 to be BaHfMg30O32" +mp-1038615,BaHfMg30O32,-6.3231043733,-2.9140636822,0.1498341073,0.1498341073,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Hf-Mg-O, expected BaHfMg90O80 to be BaHfMg30O32" +mp-756180,Ba2Hf7O16,-9.9901127804,-3.8827010816,0.0446856713,0.0446856713,GGA,R-3,A2B7C16_hR75_148_c_af_2c2f:Ba-Hf-O,25.0,"Invalid WP multiplicities - A2B7C16_hR75_148_c_af_3c8f:Ba-Hf-O, expected Ba2Hf7O54 to be Ba2Hf7O16" +mp-756014,Ba4HfO6,-7.5158462509,-3.2146443366,0.0632399945,0.0632399945,GGA,R-3c,A4BC6_hR66_167_ae_b_f:Ba-Hf-O,22.0,"Invalid WP multiplicities - A4BC6_hR66_167_a2e_b_f:Ba-Hf-O, expected Ba7HfO6 to be Ba4HfO6" +mp-1033337,BaHfMg6O8,-6.3547643687,-2.5390547462,0.5544155134000001,0.5544155134000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Hf-Mg-O, expected BaHfMg6O12 to be BaHfMg6O8" +mp-1033338,BaHfMg6O8,-6.3234681781,-2.5077585556,0.585711704,0.585711704,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Hf-Mg-O, expected BaHfMg6O12 to be BaHfMg6O8" +mp-1100158,BaHfMg6,-2.4438434,0.2408871337,0.2961252225,0.2961252225,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Hf-Mg,8.0,ABC6_oC16_38_a_b_abde:Ba-Hf-Mg +mp-1016652,BaHfMg6,-2.5210245313,0.1637060025,0.2189440912,0.2189440912,GGA,P4/mmm,ABC6_tP8_123_a_c_fk:Ba-Hf-Mg,8.0,ABC6_tP8_123_a_c_fk:Ba-Hf-Mg +mp-1033897,BaHfMg14O16,-6.3078816378,-2.7632846362,0.3104706433,0.3104706433,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Hf-Mg-O, expected BaHfMg18O20 to be BaHfMg14O16" +mp-1033883,BaHfMg14O16,-6.3083217987,-2.7637247972,0.3100304823,0.3100304823,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Hf-Mg-O, expected BaHfMg30O32 to be BaHfMg14O16" +mp-1026548,BaHfMg14,-2.0209354912,0.1215698006,0.1619223724,0.1619223724,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Hf-Mg, expected BaHfMg18 to be BaHfMg14" +mp-1026532,BaHfMg14,-2.0239510888,0.1185542031,0.1589067749,0.1589067749,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Hf-Mg, expected BaHfMg26 to be BaHfMg14" +mp-755610,Ba6HfO8,-7.1628171973,-3.09318064,0.0637422307,0.0637422307,GGA,Fm-3m,A6BC8_cF60_225_d_a_ce:Ba-Hf-O,15.0,"Invalid WP multiplicities - A6BC8_cF60_225_d_a_2c3e:Ba-Hf-O, expected Ba6HfO22 to be Ba6HfO8" +mp-998552,BaHfO3,-9.130724048,-3.7874780273,0.0,-0.0683381445,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Hf-O,5.0,ABC3_cP5_221_a_b_c:Ba-Hf-O +mp-863024,RbBaTaS4,-6.2350654954,-1.7631960511,0.0,-0.0386985591,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-Rb-S-Ta,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-Rb-S-Ta +mp-676889,Ba11(Ta3S13)2,-6.5153596486000005,-1.8687762379,0.021093796,0.021093796,GGA,P1,A11B26C6_aP43_1_11a_26a_6a:Ba-S-Ta,43.0,A11B26C6_aP43_1_11a_26a_6a:Ba-S-Ta +mp-4001,BaTaS3,-7.022248309,-1.7850278749,0.0,-0.0091580673,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-S-Ta,10.0,AB3C_hP10_194_c_h_a:Ba-S-Ta +mp-29354,Ba3(TaS4)2,-6.6573459467,-1.844724484,0.0,-0.0350172719,GGA,P2/m,A3B8C2_mP39_10_e2m2n_2m2n4o_bcmn:Ba-S-Ta,39.0,"Invalid WP multiplicities - A3B8C2_mP39_10_d3m2n_2m2n5o_bcmn:Ba-S-Ta, expected Ba11(Ta3S14)2 to be Ba3(TaS4)2" +mp-1147578,Ba2Cu(SCl)2,-4.6652410114,-1.8213653537,0.2441424957,0.2441424957,GGA,I4/mmm,A2B2CD2_tI14_139_e_c_a_e:Ba-Cl-Cu-S,7.0,A2B2CD2_tI14_139_e_c_a_e:Ba-Cl-Cu-S +mp-1147581,Ba2Cu(SCl)2,-4.8614415643,-2.0175659066,0.0479419429,0.0479419429,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_c:Ba-Cl-Cu-S,7.0,A2B2CD2_tI14_139_e_e_a_c:Ba-Cl-Cu-S +mp-1228993,AgSbSeS,-3.9841930925,-0.3357134455,0.0956304972,0.0956304972,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:Ag-S-Sb-Se,4.0,ABCD_tP4_123_a_b_d_c:Ag-S-Sb-Se +mp-1219516,Sb4(SeS)3,-4.474761364,-0.5334524646000001,0.0114747448,0.0114747448,GGA,Pmc2_1,A3B4C3_oP20_26_2ab_2a2b_a2b:S-Sb-Se,20.0,A3B4C3_oP20_26_2ab_2a2b_a2b:S-Sb-Se +mp-11906,LiPr2IrO6,-7.7019789215,-2.7030488391,0.0,-0.0653527006,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Li-O-Pr,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_4e_e:Ir-Li-O-Pr, expected LiPr2IrO8 to be LiPr2IrO6" +mp-1185396,LiPr2Ir,-5.446714855,-0.3694227158,0.0334359168,0.0334359168,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Pr,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Pr +mp-1192123,Ca(AsO4)2,-5.8101782464,-1.1831467573,0.6420281784,0.6420281784,GGA,P-1,A2BC8_aP22_2_2i_i_8i:As-Ca-O,22.0,A2BC8_aP22_2_2i_i_8i:As-Ca-O +mp-8789,Ca4As2O,-4.99683507,-1.8129314927,0.0,-0.0585906,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:As-Ca-O,7.0,A2B4C_tI14_139_e_ce_a:As-Ca-O +mp-1182536,Ca3As2O19,-5.441585184,-0.8864967688000001,0.5782809938,0.5782809938,GGA,P-1,A2B3C19_aP48_2_2i_3i_19i:As-Ca-O,48.0,A2B3C19_aP48_2_2i_3i_19i:As-Ca-O +mp-530449,Ca3(AsO4)2,-6.9279394187,-2.7042051002000003,0.0,-0.0695141002,GGA,R3,A2B3C8_hR273_146_2a4b_3a6b_2a18b:As-Ca-O,91.0,"Invalid WP multiplicities - A2B3C8_hR273_146_2a4b_3a10b_2a43b:As-Ca-O, expected Ca33As14O131 to be Ca3(AsO4)2" +mp-4555,Ca(AsO3)2,-6.7867659167,-2.2307693658,0.0,-0.0881061576,GGA,P-31m,A2BC6_hP9_162_c_b_k:As-Ca-O,9.0,A2BC6_hP9_162_c_b_k:As-Ca-O +mp-1214130,CaAsO6,-5.5694025744,-1.0262962553,0.7010582398,0.7010582398,GGA,Cc,ABC6_mC32_9_a_a_6a:As-Ca-O,16.0,ABC6_mC32_9_a_a_6a:As-Ca-O +mp-6929,Ca2As2O7,-6.8721754064,-2.5125156292,0.0,-0.001988784,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:As-Ca-O,11.0,A2B2C7_mC22_12_i_h_aij:As-Ca-O +mp-1042459,CaSnAs2O7,-6.6265841155,-2.0847450678,0.1169318758,0.1169318758,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-Sn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-Sn +mp-728458,CaAsO5,-5.9414304877,-1.4559787961,0.5181406269000001,0.5181406269000001,GGA,Pbcn,ABC5_oP56_60_d_d_5d:As-Ca-O,56.0,ABC5_oP56_60_d_d_5d:As-Ca-O +mp-1197578,CaAsO5,-6.0263207877,-1.5408690961,0.4332503269,0.4332503269,GGA,Pbcn,ABC5_oP56_60_d_d_5d:As-Ca-O,56.0,ABC5_oP56_60_d_d_5d:As-Ca-O +mp-1198781,CaAsO5,-6.0544114875,-1.5689597959,0.4051596271,0.4051596271,GGA,Pbcn,ABC5_oP56_60_d_d_5d:As-Ca-O,56.0,ABC5_oP56_60_d_d_5d:As-Ca-O +mp-18670,Ca5(SnAs3)2,-4.4077140885,-0.86910997,0.0,-0.0150340746,GGA,Pbam,A6B5C2_oP26_55_g2h_a2g_h:As-Ca-Sn,26.0,A6B5C2_oP26_55_g2h_a2g_h:As-Ca-Sn +mp-1047561,Ca3Sn3(AsO4)4,-6.63397372,-2.179011866,0.1118521545,0.1118521545,GGA,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Ca-O-Sn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Ca-O-Sn, expected Ca3Sn3(As5O29)2 to be Ca3Sn3(AsO4)4" +mp-1380645,CaSnAsO5,-6.6818864491,-2.255919737,0.1126657347,0.1126657347,GGA,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Ca-O-Sn,32.0,ABC5D_mP32_4_3a_3a_15a_3a:As-Ca-O-Sn +mp-1214218,Ca5As3O14,-6.5052756445,-2.2662303458,0.281183835,0.281183835,GGA,P6_3/m,A3B5C14_hP44_176_h_fh_e2hi:As-Ca-O,44.0,A3B5C14_hP44_176_h_fh_e2hi:As-Ca-O +mp-1200693,Ca3(AsO9)2,-5.469064168,-0.9310018527,0.5974618996000001,0.5974618996000001,GGA,P-1,A2B3C18_aP46_2_2i_3i_18i:As-Ca-O,46.0,A2B3C18_aP46_2_2i_3i_18i:As-Ca-O +mp-728415,CaAsO4,-6.56956708,-2.160988225,0.1421511018,0.1421511018,GGA,P-1,ABC4_aP24_2_2i_2i_8i:As-Ca-O,24.0,ABC4_aP24_2_2i_2i_8i:As-Ca-O +mp-1215135,CaAsO7,-5.7770231968,-1.1890743897,0.3463518281,0.3463518281,GGA,Pbca,ABC7_oP72_61_c_c_7c:As-Ca-O,72.0,ABC7_oP72_61_c_c_7c:As-Ca-O +mp-1220059,Pr6Mn(GeS7)2,-6.3665056457,-1.8011228775,0.0,-0.004725858,GGA,P3,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mn-Pr-S,23.0,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mn-Pr-S +mp-1192341,Pr4MnS7,-6.7695664438000005,-1.9995008287,0.0973136108,0.0973136108,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Mn-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Mn-Pr-S +mp-685513,Pr6MnS10,-6.78394704,-2.1244206582,0.0485416253,0.0485416253,GGA,P1,AB6C10_aP68_1_4a_24a_40a:Mn-Pr-S,68.0,AB6C10_aP68_1_4a_24a_40a:Mn-Pr-S +mp-616232,TlCr4BiO14,-7.315541058,-1.6120928523,0.0065577165,0.0065577165,GGA+U,P2_1/c,AB4C14D_mP80_14_e_4e_14e_e:Bi-Cr-O-Tl,80.0,"Invalid WP multiplicities - AB4C14D_mP80_14_e_15e_54e_e:Bi-Cr-O-Tl, expected TlCr15BiO54 to be TlCr4BiO14" +mp-2231665,MgNb4(SnO6)2,-8.3428106226,-2.5857101776,0.1850401476,0.1850401476,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn +mp-2231177,MgNb4(SnO6)2,-8.3794393532,-2.6223389082,0.1484114171,0.1484114171,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn +mp-2232015,MgNb4(SnO6)2,-8.3749264247,-2.6178259797,0.1529243455,0.1529243455,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Nb-O-Sn +mp-2230905,MgNb4(SnO6)2,-8.3836092184,-2.6265087734,0.1442415518,0.1442415518,GGA,P-1,AB4C12D2_aP19_2_a_2i_6i_i:Mg-Nb-O-Sn,19.0,"Invalid WP multiplicities - AB4C12D2_aP19_2_a_4i_12i_i:Mg-Nb-O-Sn, expected MgNb8(SnO12)2 to be MgNb4(SnO6)2" +mp-1095702,Mg30NbSnO32,-6.3307412356,-2.8867831551,0.1162530635,0.1162530635,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Sn, expected Mg110NbSnO72 to be Mg30NbSnO32" +mp-1095704,Mg30NbSnO32,-6.3252005389,-2.8812424584,0.1217937602,0.1217937602,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Sn, expected Mg90NbSnO80 to be Mg30NbSnO32" +mp-1026404,Mg14NbSn,-2.2513144512,0.0308603984,0.089495742,0.089495742,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Sn, expected Mg18NbSn to be Mg14NbSn" +mp-1026397,Mg14NbSn,-2.2498670294,0.0323078203,0.0909431639,0.0909431639,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Sn, expected Mg26NbSn to be Mg14NbSn" +mp-1021399,Mg6NbSn,-2.8917410813,0.0723285681,0.1623441054,0.1623441054,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Sn, expected Mg12NbSn to be Mg6NbSn" +mp-1021397,Mg6NbSn,-2.8904585206,0.0736111287,0.163626666,0.163626666,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Sn, expected Mg12NbSn to be Mg6NbSn" +mp-556524,Nb2Sn2O7,-8.1709759027,-2.4574691056,0.0865001618,0.0865001618,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nb-O-Sn,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Nb-O-Sn, expected NbSnO10 to be Nb2Sn2O7" +mp-3324,Nb2SnO6,-8.7350332272,-2.7469983158,0.0,-0.0193673514,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Nb-O-Sn,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_4f_e:Nb-O-Sn, expected Nb2SnO8 to be Nb2SnO6" +mp-1031488,Mg6NbSnO8,-6.3231202319,-2.3677410516,0.4822829246,0.4822829246,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Sn, expected Mg6NbSnO12 to be Mg6NbSnO8" +mp-1031492,Mg6NbSnO8,-6.3596985569,-2.4043193766,0.4457045996,0.4457045996,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Sn, expected Mg6NbSnO12 to be Mg6NbSnO8" +mp-1034309,Mg14NbSnO16,-6.3162653809,-2.7018336005,0.2501985373,0.2501985373,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Sn, expected Mg18NbSnO20 to be Mg14NbSnO16" +mp-1034304,Mg14NbSnO16,-6.3263865259,-2.7119547455,0.2400773923,0.2400773923,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Sn, expected Mg30NbSnO32 to be Mg14NbSnO16" +mp-1046735,Mg2Nb2SnO8,-7.9742885058,-2.8214999115,0.0537518865,0.0537518865,GGA,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Mg-Nb-O-Sn,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Mg-Nb-O-Sn, expected Mg2Nb2SnO10 to be Mg2Nb2SnO8" +mp-1018065,DyFeC2,-8.1479113,-0.2643765413,0.0,-0.0102536719,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Dy-Fe,4.0,A2BC_oC8_38_d_b_a:C-Dy-Fe +mp-1225715,DyTiFe11C,-8.3025330164,-0.0953060408,0.040080085,0.040080085,GGA,Imm2,ABC11D_oI28_44_b_a_a2b2ce_a:C-Dy-Fe-Ti,14.0,ABC11D_oI28_44_b_a_a2b2ce_a:C-Dy-Fe-Ti +mp-571165,Dy2Fe14C,-8.13054581,-0.0703966269,0.0,-0.0138637957,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:C-Dy-Fe,68.0,"Invalid WP multiplicities - AB2C14_tP68_136_f_3f2g_4c4e15j26k:C-Dy-Fe, expected Dy5Fe142C to be Dy2Fe14C" +mp-1190738,Dy2Fe17C3,-8.3027104736,-0.0804408951,0.0017828521,0.0017828521,GGA,R-3m,A3B2C17_hR66_166_e_c_cdfh:C-Dy-Fe,22.0,A3B2C17_hR66_166_e_c_cdfh:C-Dy-Fe +mp-1213192,Dy2Fe17C3,-8.3029079582,-0.0806383797,0.0015853676,0.0015853676,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Dy-Fe,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Dy-Fe +mp-1225413,Dy2Fe17C,-8.1573761995,-0.0357462124,0.0240909205,0.0240909205,GGA,C2/m,AB2C17_mC40_12_a_i_deg2i2j:C-Dy-Fe,20.0,"Invalid WP multiplicities - AB2C17_mC40_12_a_i_df2g3i3j:C-Dy-Fe, expected Dy2Fe25C to be Dy2Fe17C" +mp-1195008,Dy15(Fe4C13)2,-7.9513418404,-0.2613974509,0.0235504921,0.0235504921,GGA,P321,A26B15C8_hP49_150_c4g_e2g_d2f:C-Dy-Fe,49.0,A26B15C8_hP49_150_c4g_e2g_d2f:C-Dy-Fe +mp-1225407,Dy2Fe17C2,-8.0088977238,0.1654482398,0.2370116944,0.2370116944,GGA,C2/m,A2B2C17_mC42_12_e_i_afh2i2j:C-Dy-Fe,21.0,"Invalid WP multiplicities - A2B2C17_mC42_12_f_i_ae2h3i3j:C-Dy-Fe, expected Dy2Fe25C2 to be Dy2Fe17C2" +mp-1104250,Dy2FeC4,-8.0901771164,-0.2904261364,0.0,-0.033834185,GGA,Ibam,A4B2C_oI28_72_2j_j_a:C-Dy-Fe,14.0,A4B2C_oI28_72_2j_j_a:C-Dy-Fe +mp-1026517,Mg14CrGa,-2.1423624325,0.0504540795,0.097795702,0.097795702,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Ga-Mg, expected Mg18CrGa to be Mg14CrGa" +mp-1026492,Mg14CrGa,-2.1431657544,0.0496507577,0.0969923801,0.0969923801,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Ga-Mg, expected Mg26CrGa to be Mg14CrGa" +mp-2239948,MgCrGaO4,-7.2124684843,-2.3455858575,0.2404453454,0.2404453454,GGA+U,Pm,ABCD4_mP7_6_a_b_a_2a2b:Cr-Ga-Mg-O,7.0,ABCD4_mP7_6_a_b_a_2a2b:Cr-Ga-Mg-O +mp-2223638,MgCrGaO4,-7.18067772,-2.3137950932,0.2722361096,0.2722361096,GGA+U,Amm2,ABCD4_oC14_38_a_b_a_2bd:Cr-Ga-Mg-O,7.0,"Invalid WP multiplicities - ABCD4_oC14_38_a_b_a_2b2d:Cr-Ga-Mg-O, expected MgCrGaO6 to be MgCrGaO4" +mp-2242273,MgCrGaO4,-7.0460188386,-2.1791362118,0.4068949911,0.4068949911,GGA+U,Amm2,ABCD4_oC14_38_b_a_a_2bd:Cr-Ga-Mg-O,7.0,"Invalid WP multiplicities - ABCD4_oC14_38_b_a_a_2b2d:Cr-Ga-Mg-O, expected MgCrGaO6 to be MgCrGaO4" +mp-756183,CrGaO4,-7.289109015,-1.8777926254,0.1067006856,0.1067006856,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Cr-Ga-O,6.0,"Invalid WP multiplicities - ABC4_oC12_65_a_c_2g2j:Cr-Ga-O, expected CrGaO8 to be CrGaO4" +mp-1016636,Mg6CrGa,-2.69370014,0.0916528341,0.1596554768,0.1596554768,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Ga-Mg, expected Mg12CrGa to be Mg6CrGa" +mp-1016637,Mg6CrGa,-2.6868576206,0.0984953534,0.1664979962,0.1664979962,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Ga-Mg, expected Mg12CrGa to be Mg6CrGa" +mp-1021571,SrMg6Ti,-2.1985629431,0.1997702781,0.2480051352,0.2480051352,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sr-Ti, expected SrMg12Ti to be SrMg6Ti" +mp-1021478,SrMg6Ti,-2.2783221837,0.1200110375,0.1682458946,0.1682458946,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Sr-Ti,8.0,A6BC_tP8_123_ej_b_d:Mg-Sr-Ti +mp-1026475,SrMg14Ti,-1.8966076438,0.1026989919,0.1374159269,0.1374159269,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-Ti, expected SrMg18Ti to be SrMg14Ti" +mp-1026443,SrMg14Ti,-1.8995786694,0.0997279662,0.1344449013,0.1344449013,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-Ti, expected SrMg26Ti to be SrMg14Ti" +mp-1080529,SrTiS3,-6.239343795,-1.8404767809,0.082437121,0.082437121,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:S-Sr-Ti,10.0,A3BC_hP10_194_h_c_a:S-Sr-Ti +mp-2222905,Sr2Mg(TiS3)2,-5.9613502518,-1.8169002344,0.1348716132,0.1348716132,GGA,P1,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-S-Sr-Ti,11.0,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-S-Sr-Ti +mp-2239921,Sr2Mg(TiS3)2,-5.9376598082,-1.7932097908,0.1585620568,0.1585620568,GGA,Cm,AB6C2D2_mC22_8_a_2a2b_2a_2a:Mg-S-Sr-Ti,11.0,"Invalid WP multiplicities - AB6C2D2_mC22_8_a_2a4b_2a_2a:Mg-S-Sr-Ti, expected Sr2Mg(TiS5)2 to be Sr2Mg(TiS3)2" +mp-2240567,Sr2Mg(TiS3)2,-5.9286718936,-1.7842218763000002,0.1675499714,0.1675499714,GGA,C2/m,AB6C2D2_mC22_12_b_ij_i_ac:Mg-S-Sr-Ti,11.0,"Invalid WP multiplicities - AB6C2D2_mC22_12_a_2i2j_i_bc:Mg-S-Sr-Ti, expected Sr2Mg(TiS6)2 to be Sr2Mg(TiS3)2" +mp-2239959,Sr2Mg(TiS3)2,-5.6539025755,-1.5094525581,0.4423192895,0.4423192895,GGA,Amm2,AB6C2D2_oC22_38_a_abde_ab_c:Mg-S-Sr-Ti,11.0,"Invalid WP multiplicities - AB6C2D2_oC22_38_a_ab2d2e_ab_c:Mg-S-Sr-Ti, expected Sr2Mg(TiS5)2 to be Sr2Mg(TiS3)2" +mp-676818,Sr8(TiS3)7,-6.3013070733,-1.9777004359,0.0,-0.0027217428,GGA,P3,A21B8C7_hP108_143_21d_8d_7a7b7c:S-Sr-Ti,108.0,"Invalid WP multiplicities - A21B8C7_hP108_143_59d_22d_7a7b7c:S-Sr-Ti, expected Sr22Ti7S59 to be Sr8(TiS3)7" +mp-1216087,Yb2Ti12(CuO4)9,-7.9707882788,-2.6691141365,0.0392575571,0.0392575571,GGA,P-3,A9B36C12D2_hP59_147_fg_6g_adeg_d:Cu-O-Ti-Yb,,"Invalid WP multiplicities - A9B36C12D2_hP59_147_3f4g_32g_ad3e4g_d:Cu-O-Ti-Yb, expected Yb2Ti36(Cu11O64)3 to be Yb2Ti12(CuO4)9" +mp-1187562,YbCuO3,-5.976652408,-1.8808761912,0.1319224789,0.1319224789,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Yb,,AB3C_cP5_221_b_c_a:Cu-O-Yb +mp-1101360,TiCu2O3,-7.1239296662000005,-1.9682677512,0.1054401421,0.1054401421,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Cu-O-Ti,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_3f_4e8f_f:Cu-O-Ti, expected TiCu3O10 to be TiCu2O3" +mp-21457,Ti3Cu3O,-6.7834614879,-0.9362065205,0.0,-0.003240183,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Cu-O-Ti,28.0,A3BC3_cF112_227_ce_d_f:Cu-O-Ti +mp-1217206,Ti4Cu2O,-7.2408808329,-0.8512993874,0.1228710071,0.0988693071,GGA,F-43m,A2BC4_cF112_216_2e_e_efg:Cu-O-Ti,28.0,A2BC4_cF112_216_2e_e_efg:Cu-O-Ti +mp-22432,Ti4Cu2O,-7.36375184,-0.9741703946,0.0,-0.0240016999999999,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Cu-O-Ti,28.0,"Invalid WP multiplicities - A2BC4_cF112_227_e_c_d2f:Cu-O-Ti, expected Ti7Cu2O to be Ti4Cu2O" +mp-1345714,Ti4(CuO4)3,-7.9062466211,-2.4725701678,0.0582803114,0.0582803114,GGA,Im-3,A3B12C4_cI38_204_b_g_c:Cu-O-Ti,19.0,A3B12C4_cI38_204_b_g_c:Cu-O-Ti +mp-1215851,Yb2TiCuO6,-7.173304398,-2.6978996466,0.1755919504,0.1755919504,GGA,P-6m2,AB6CD2_hP10_187_c_abhi_f_g:Cu-O-Ti-Yb,,"Invalid WP multiplicities - AB6CD2_hP10_187_c_ab2h2i_f_g:Cu-O-Ti-Yb, expected Yb2TiCuO10 to be Yb2TiCuO6" +mp-1103016,Ti3CuO8,-8.3330919325,-2.7198258983,0.0807663695,0.0807663695,GGA,P-4m2,AB8C3_tP12_115_a_ef2g_cg:Cu-O-Ti,12.0,"Invalid WP multiplicities - AB8C3_tP12_115_a_2e2f4g_cg:Cu-O-Ti, expected Ti3CuO16 to be Ti3CuO8" +mp-675755,TiCu3O4,-6.7080167338,-1.7105333748,0.0806053175,0.0806053175,GGA,Cm,A3B4C_mC16_8_3a_4a_a:Cu-O-Ti,8.0,A3B4C_mC16_8_3a_4a_a:Cu-O-Ti +mp-1216931,TiCu3O4,-6.7230247175,-1.7255413585,0.0655973338,0.0655973338,GGA,P2/m,A3B4C_mP8_10_bcd_mn_h:Cu-O-Ti,8.0,"Invalid WP multiplicities - A3B4C_mP8_10_bce_2m2n_g:Cu-O-Ti, expected TiCu3O8 to be TiCu3O4" +mp-758229,TiCu3O4,-6.717780655,-1.720297296,0.0708413963,0.0708413963,GGA,P2_1/c,A3B4C_mP16_14_ae_2e_c:Cu-O-Ti,16.0,"Invalid WP multiplicities - A3B4C_mP16_14_2a2e_7e_c:Cu-O-Ti, expected Ti(Cu3O7)2 to be TiCu3O4" +mp-1101124,TiCu3O4,-3.76828038,1.229202979,3.0203416713,3.0203416713,GGA,P-3m1,A3B4C_hP8_164_ad_2d_b:Cu-O-Ti,8.0,"Invalid WP multiplicities - A3B4C_hP8_164_ad_3d_b:Cu-O-Ti, expected Ti(CuO2)3 to be TiCu3O4" +mp-1216938,TiCu3O4,-6.5758509837,-1.5783676248,0.2127710675,0.2127710675,GGA,P-3m1,A3B4C_hP8_164_ad_2d_b:Cu-O-Ti,8.0,A3B4C_hP8_164_ad_2d_b:Cu-O-Ti +mp-20205,Yb2Cu2O5,-6.2376733508,-2.2364429668,0.0,-0.1596809112,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Yb,,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Yb +mp-1147748,TiCuO3,-7.59642085,-2.2294678859,0.2493963,0.2493963,GGA,P4/mmm,AB3C_tP5_123_c_bf_a:Cu-O-Ti,5.0,AB3C_tP5_123_c_bf_a:Cu-O-Ti +mp-1187469,TiCuO3,-7.303850848,-1.9368978839,0.5419663020000001,0.5419663020000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cu-O-Ti,5.0,AB3C_cP5_221_a_c_b:Cu-O-Ti +mp-1217096,Ti2FeCu,-7.3043241275,-0.2142711492,0.0640466225,0.0640466225,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Cu-Fe-Ti,4.0,ABC2_tP4_123_a_b_h:Cu-Fe-Ti +mp-1217187,Ti3Fe(CuS4)2,-6.4687384314,-1.2225591789,0.041827503,0.041827503,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Fe-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Cu-Fe-S-Ti, expected Ti3Fe(CuS8)2 to be Ti3Fe(CuS4)2" +mp-1245585,Mn2InN2,-7.757711796,-0.2079709632,0.174569426,0.174569426,GGA,P-3m1,AB2C2_hP5_164_a_d_d:In-Mn-N,5.0,AB2C2_hP5_164_a_d_d:In-Mn-N +mp-1246753,Mn3InN3,-7.9558109129,-0.0633517155,0.3465129871,0.3465129871,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:In-Mn-N,14.0,AB3C3_hP14_176_c_h_h:In-Mn-N +mp-1246109,Mn3(InN2)2,-7.3993441211,-0.0287448949,0.3075608017,0.3075608017,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:In-Mn-N,18.0,A2B3C4_mC36_15_f_ef_2f:In-Mn-N +mp-1210597,Mn3AsN,-6.559609266,1.5367225752,1.8872294905,1.8872294905,GGA,P4/mmm,AB3C_tP5_123_b_ae_c:As-Mn-N,5.0,AB3C_tP5_123_b_ae_c:As-Mn-N +mp-1206774,Mn3AsN,-8.27627532,-0.1799434788,0.1705634365,0.1705634365,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Mn-N,5.0,AB3C_cP5_221_a_c_b:As-Mn-N +mp-1206777,Mn3AsN,-6.616473156,1.4798586852,1.8303656005,1.8303656005,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Mn-N,5.0,AB3C_cP5_221_b_c_a:As-Mn-N +mp-1247179,Mn3In8N9,-6.0935627324,0.1328357697,0.3235979206,0.3235979206,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:In-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:In-Mn-N +mp-1221665,MnInAsN,-6.2223303275,0.0049977605,0.3584167675,0.3584167675,GGA,P3m1,ABCD_hP4_156_a_a_b_b:As-In-Mn-N,4.0,ABCD_hP4_156_a_a_b_b:As-In-Mn-N +mp-1113802,Rb2PrCuF6,-5.30676007,-3.0757546325,0.173973409,0.173973409,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Pr-Rb +mp-559563,Rb2NaCoF6,-4.914541488,-2.7284629842,0.0,-0.0562989278,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Na-Rb +mp-1110626,RbNa2CoF6,-4.709728028,-2.4894504021,0.2067443633,0.2067443633,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-Na-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-Na-Rb +mp-1111793,Rb2GaAuI6,-2.686227311,-0.9759028842,0.1044041435,0.1044041435,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Ga-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Ga-I-Rb +mp-1114160,Rb3GaI6,-2.718264638,-1.237275004,0.1242745147,0.1242745147,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ga-I-Rb,10.0,AB6C3_cF40_225_a_e_bc:Ga-I-Rb +mp-1114037,KRb2GdCl6,-5.2851252330000005,-2.4612443038,0.027833005,0.027833005,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Gd-K-Rb +mp-1111214,K2RbGdCl6,-5.230032313,-2.3931648963,0.094717834,0.094717834,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Rb +mp-1192456,Nd2Fe15Co2H3,-7.3619969541,-0.044659375,0.1248090987,0.1248090987,GGA,R-3m,A2B15C3D2_hR66_166_c_dfh_e_c:Co-Fe-H-Nd,22.0,A2B15C3D2_hR66_166_c_dfh_e_c:Co-Fe-H-Nd +mp-1190611,Nd2Fe17H3,-7.490478915,-0.0493501164,0.1022496955,0.1022496955,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Nd,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Nd +mp-1212265,K4Zr3Te17,-4.4584970866,-0.9784596755,0.0,-0.0161747791,GGA,P2_1/c,A4B17C3_mP96_14_4e_17e_3e:K-Te-Zr,96.0,A4B17C3_mP96_14_4e_17e_3e:K-Te-Zr +mp-1223366,KZrCuTe3,-4.8479170575,-0.9833797363,0.0,-0.0110577465,GGA,Cmc2_1,ABC3D_oC24_36_a_a_3a_a:Cu-K-Te-Zr,,"Invalid WP multiplicities - ABC3D_oC24_36_a_a_4a_a:Cu-K-Te-Zr, expected KZrCuTe4 to be KZrCuTe3" +mp-29602,K2ZrTe3,-4.5927926013,-1.2263899006,0.0,-0.0630051012,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:K-Te-Zr,24.0,A2B3C_mP24_14_2e_3e_e:K-Te-Zr +mp-1224116,K(Zr3Te4)4,-6.4993993807,-1.1898924565,0.0,-0.0454407437,GGA,P-1,AB16C12_aP29_2_a_8i_6i:K-Te-Zr,29.0,"Invalid WP multiplicities - AB16C12_aP29_2_a_15i_12i:K-Te-Zr, expected K(Zr4Te5)6 to be K(Zr3Te4)4" +mp-1219591,RbCoNiF6,-5.273601945,-2.4582839058,0.0,-0.0447401642,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Co-F-Ni-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Co-F-Ni-Rb, expected RbCoNiF12 to be RbCoNiF6" +mp-27280,Na2MnCl4,-4.5849367586,-1.8419063987,0.0110099286,0.0110099286,GGA,Pbam,A4BC2_oP14_55_gh_a_h:Cl-Mn-Na,14.0,"Invalid WP multiplicities - A4BC2_oP14_55_2gh_b_g:Cl-Mn-Na, expected Na2MnCl6 to be Na2MnCl4" +mp-27126,Na2Mn3Cl8,-5.1435014485,-1.6881637759,0.0,-0.0005768226,GGA,R-3m,A8B3C2_hR39_166_ch_d_c:Cl-Mn-Na,13.0,"Invalid WP multiplicities - A8B3C2_hR39_166_c2h_d_c:Cl-Mn-Na, expected Na2Mn3Cl14 to be Na2Mn3Cl8" +mp-27176,NaMnCl3,-4.945018751,-1.7389886379,0.006838531,0.006838531,GGA,R-3,A3BC_hR30_148_f_c_c:Cl-Mn-Na,10.0,A3BC_hR30_148_f_c_c:Cl-Mn-Na +mp-1191678,K3NaMnCl6,-4.3073793041,-2.0431104508,0.0,-0.0111320569,GGA,R-3c,A6B3CD_hR66_167_f_e_b_a:Cl-K-Mn-Na,22.0,A6B3CD_hR66_167_f_e_b_a:Cl-K-Mn-Na +mp-27125,Na6MnCl8,-4.1213992273,-1.9957018718,0.0,-0.0078383253,GGA,Fm-3m,A8BC6_cF60_225_ce_a_d:Cl-Mn-Na,15.0,"Invalid WP multiplicities - A8BC6_cF60_225_2c2e_a_d:Cl-Mn-Na, expected Na6MnCl16 to be Na6MnCl8" +mp-1113227,Cs2AgSbF6,-4.556818334,-2.5346947548000003,0.0879954168,0.0879954168,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Sb +mp-1080104,Pr(BIr)2,-7.887359596,-0.7240480647,0.0,-0.1136581731,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Pr,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Pr +mp-1209703,Pr(BIr)2,-7.5028008325,-0.3394893012,0.3845587635,0.2709005904,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-Ir-Pr,20.0,A2B2C_tI40_141_h_h_c:B-Ir-Pr +mp-975738,Pr(BOs)2,-8.538965501,-0.4200806697,0.0,-0.0779174728,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Os-Pr,10.0,A2B2C_oF40_70_e_f_a:B-Os-Pr +mp-1189206,Pr(BIr)4,-7.9891138061,-0.5610905219,0.0,-0.0697278106,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Pr,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Pr +mp-11594,PrB2Ir3,-8.0636188317,-0.6211201922,0.0,-0.017746805,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Pr,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Pr +mp-1188588,Pr(BOs)4,-8.8648390306,-0.3750676352,0.0,-0.0364206811,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Os-Pr,18.0,A4B4C_tP18_86_g_g_a:B-Os-Pr +mp-1219765,PrB4(IrOs)2,-8.4427179817,-0.4838206419,0.0236970872,0.0236970872,GGA,P4_2,A4B2C2D_tP18_77_2d_d_d_c:B-Ir-Os-Pr,18.0,A4B2C2D_tP18_77_2d_d_d_c:B-Ir-Os-Pr +mp-1110890,K2NaSbCl6,-3.715913913,-1.8395594743,0.0415903718,0.0415903718,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sb +mp-30213,Sb2BrF15,-4.316902904,-2.1789464972,0.0,-0.014467909,GGA,P2_1/c,AB15C2_mP72_14_e_15e_2e:Br-F-Sb,72.0,AB15C2_mP72_14_e_15e_2e:Br-F-Sb +mp-556436,Sb2BrF15,-4.3137131819,-2.1757567751,0.0031897221,-0.0112781869,GGA,P2_1/c,AB15C2_mP72_14_e_15e_2e:Br-F-Sb,72.0,"Invalid WP multiplicities - AB15C2_mP72_14_e_57e_4e:Br-F-Sb, expected Sb4BrF57 to be Sb2BrF15" +mp-561328,SbSe(BrF2)3,-4.1025462016,-1.9431942459,0.0,-0.0515536074,GGA,P2_12_12_1,A3B6CD_oP44_19_3a_6a_a_a:Br-F-Sb-Se,44.0,"Invalid WP multiplicities - A3B6CD_oP44_19_10a_21a_a_a:Br-F-Sb-Se, expected SbSeBr10F21 to be SbSe(BrF2)3" +mp-27308,SbBrF8,-4.1906316102,-2.0932454793,0.0,-0.033652144,GGA,Pcca,AB8C_oP40_54_d_4f_c:Br-F-Sb,40.0,AB8C_oP40_54_d_4f_c:Br-F-Sb +mp-559807,Sb2BrF17,-4.1154092367,-2.0001005739,0.0,-0.0140909637,GGA,P2_1/c,AB17C2_mP80_14_ab_17e_2e:Br-F-Sb,80.0,AB17C2_mP80_14_ab_17e_2e:Br-F-Sb +mp-27318,Sb3(BrF8)2,-4.5287575119,-2.3346278043,0.0,-0.0402253936,GGA,C2/c,A2B16C3_mC84_15_f_8f_cf:Br-F-Sb,42.0,"Invalid WP multiplicities - A2B16C3_mC84_15_f_9f_af:Br-F-Sb, expected Sb3(BrF9)2 to be Sb3(BrF8)2" +mp-1105866,LuNiO3,-7.5632212235,-2.5349905567,0.0162529475,0.0162529475,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Lu-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Lu-Ni-O +mp-19327,LuNiO3,-7.5646023905,-2.5363717237,0.0148717805,0.0148717805,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Lu-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Lu-Ni-O +mp-825626,BaLu2NiO5,-7.641325715,-3.0330528021,0.1643005787,0.1643005787,GGA+U,Pnma,AB2CD5_oP36_62_c_2c_c_c2d:Ba-Lu-Ni-O,36.0,AB2CD5_oP36_62_c_2c_c_c2d:Ba-Lu-Ni-O +mp-1214642,Ba5Lu8Ni4O21,-7.5639945253,-3.0175869327,0.1618670315,0.1618670315,GGA+U,I4/m,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Lu-Ni-O,38.0,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Lu-Ni-O +mp-1221732,MnB4Mo3,-9.0051873913,-0.4531208031,0.0486643334,0.0486643334,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:B-Mn-Mo,8.0,A4BC3_mP8_6_2a2b_a_a2b:B-Mn-Mo +mp-1078108,Mn2B4Mo,-8.4468026971,-0.4629101575,0.0080765871,0.0080765871,GGA,Immm,A4B2C_oI14_71_ef_f_a:B-Mn-Mo,7.0,A4B2C_oI14_71_ef_f_a:B-Mn-Mo +mp-1221680,MnCoB2,-7.800502715,-0.3932235578,0.0580333131,0.0580333131,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:B-Co-Mn,8.0,A2BC_oP8_26_ab_a_b:B-Co-Mn +mp-1221919,Mn3B8Mo3,-8.547438365,-0.4432861955,0.0279575109,0.0279575109,GGA,Pmm2,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Mn-Mo,14.0,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Mn-Mo +mp-1221854,MnCo21B6Mo,-7.3942770531,-0.1750118903,0.0211306476,0.0211306476,GGA,F-43m,A6B21CD_cF116_216_g_c2eh_a_b:B-Co-Mn-Mo,29.0,A6B21CD_cF116_216_g_c2eh_a_b:B-Co-Mn-Mo +mp-542728,Co21(B3Mo)2,-7.4896629707,-0.2123414348,0.0,-0.0107896984,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Mo,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Mo +mp-1069105,Co(BMo)2,-8.920656018,-0.4889757067,0.0,-0.009563952,GGA,Immm,A2BC2_oI10_71_e_c_g:B-Co-Mo,5.0,A2BC2_oI10_71_e_c_g:B-Co-Mo +mp-1092278,Mn(BMo)2,-9.304422285,-0.4620024743,0.0,-0.0415852545,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Mn-Mo,10.0,A2BC2_tP10_127_g_a_h:B-Mn-Mo +mp-1104546,Co(BMo)3,-9.023338775,-0.4971325696,0.0,-0.004368545,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:B-Co-Mo,14.0,A3BC3_oC28_63_cf_a_cf:B-Co-Mo +mp-1194187,Mn2(Co7B2)3,-7.3246288683,-0.1634200785,0.0165235624,0.0165235624,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Mn,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Mn +mp-1193450,Mn3(Co10B3)2,-7.3856453479,-0.1536194031,0.033107578,0.033107578,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Co-Mn,29.0,A6B20C3_cF116_225_e_fh_ac:B-Co-Mn +mp-1221661,MnCoB,-7.9562190067,-0.3063107207,0.0273133375,0.0273133375,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Co-Mn,6.0,ABC_oF24_69_f_g_h:B-Co-Mn +mp-1221842,Mn3B4Mo3,-9.098469495,-0.424413166,0.0316704624,0.0316704624,GGA,Amm2,A4B3C3_oC20_38_2ad_bd_be:B-Mn-Mo,10.0,A4B3C3_oC20_38_2ad_bd_be:B-Mn-Mo +mp-21347,CoBMo,-8.6491830783,-0.4380631864,0.0,-0.0305834308,GGA,Pnma,ABC_oP12_62_c_c_c:B-Co-Mo,12.0,ABC_oP12_62_c_c_c:B-Co-Mo +mp-10055,Co2B4Mo,-7.800222748599999,-0.4031009224,0.0116810036,0.0116810036,GGA,Immm,A4B2C_oI14_71_ef_f_a:B-Co-Mo,7.0,A4B2C_oI14_71_ef_f_a:B-Co-Mo +mp-1096406,Mn2CoMo,-5.54365621,3.5258434123,3.5433998815,3.5433998815,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Mn-Mo,4.0,AB2C_oI8_71_a_e_b:Co-Mn-Mo +mp-1225057,FeMo6Pd3N2,-9.0441225162,-0.2310760871,0.0257010462,0.0257010462,GGA,P2_1,AB6C2D3_mP24_4_a_6a_2a_3a:Fe-Mo-N-Pd,24.0,"Invalid WP multiplicities - AB6C2D3_mP24_4_a_9a_2a_5a:Fe-Mo-N-Pd, expected FeMo9Pd5N2 to be FeMo6Pd3N2" +mp-1224938,Fe3Mo6PdN2,-9.5783818492,-0.2169788533,0.0054757223,0.0054757223,GGA,P2_1,A3B6C2D_mP24_4_3a_6a_2a_a:Fe-Mo-N-Pd,24.0,"Invalid WP multiplicities - A3B6C2D_mP24_4_5a_9a_2a_a:Fe-Mo-N-Pd, expected Fe5Mo9PdN2 to be Fe3Mo6PdN2" +mp-1225051,FeMo3PdN,-9.3257397254,-0.2385150129,0.0011008415,0.0011008415,GGA,P2_13,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Pd,24.0,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Pd +mp-1246508,Fe(PdN)2,-6.91144632,0.189108616,0.314963351,0.314963351,GGA,R-3m,AB2C2_hR15_166_a_c_c:Fe-N-Pd,5.0,AB2C2_hR15_166_a_c_c:Fe-N-Pd +mp-16334,Fe3PdN,-7.983002004,-0.197713931,0.0,-0.0423879275,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Fe-N-Pd,5.0,A3BC_cP5_221_c_b_a:Fe-N-Pd +mp-1224125,HgPdF4,-3.7136858642,-1.5254395233,0.0289747381,0.0289747381,GGA,P2_1/c,A4BC_mP12_14_2e_a_d:F-Hg-Pd,12.0,"Invalid WP multiplicities - A4BC_mP12_14_4e_a_d:F-Hg-Pd, expected HgPdF8 to be HgPdF4" +mp-1113777,Rb2HgPdF6,-4.04450636,-2.1531559475,0.0472391704,0.0472391704,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Pd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Pd-Rb +mp-1191456,Sm2Mn3Cu9P7,-5.7269540052,-0.4074684946,0.0918623231,0.0918623231,GGA,Pm,A9B3C7D2_mP21_6_3a6b_3a_3a4b_ab:Cu-Mn-P-Sm,21.0,A9B3C7D2_mP21_6_3a6b_3a_3a4b_ab:Cu-Mn-P-Sm +mp-1005829,Sm2Mn12P7,-8.1689531305,-0.6796924961,0.0,-0.0143095082,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Sm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Sm +mp-1208120,TmCu(MoO4)2,-8.0788255471,-2.2588378801,0.0345446388,0.0345446388,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Cu-Mo-O-Tm,24.0,AB2C8D_mC48_15_e_f_4f_e:Cu-Mo-O-Tm +mp-31123,Tm2MoO6,-8.7088170897,-3.211322287,0.0,-0.0305186098,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Tm,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_f_9f_2ef:Mo-O-Tm, expected Tm2MoO9 to be Tm2MoO6" +mp-1208057,Tm2Mo4O15,-8.5543330381,-2.5288758021,0.0,-0.0522941523,GGA+U,P2_1/c,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Tm,42.0,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Tm +mp-16392,Tm4Mo4O11,-8.8396295397,-2.7501812262,0.2026110057,0.2026110057,GGA+U,Pbam,A4B11C4_oP76_55_ghi_e2g2h3i_2g2h:Mo-O-Tm,76.0,"Invalid WP multiplicities - A4B11C4_oP76_55_ghi_e2g4h5i_2g2h:Mo-O-Tm, expected Tm4Mo4O17 to be Tm4Mo4O11" +mp-28531,Rb2Ta15O32,-10.0351405559,-3.1346962426,0.0,-0.0269449394,GGA,R-3,A32B2C15_hR147_148_c5f_c_ac2f:O-Rb-Ta,49.0,"Invalid WP multiplicities - A32B2C15_hR147_148_c6f_c_ac2f:O-Rb-Ta, expected Rb2Ta15O38 to be Rb2Ta15O32" +mp-557372,Rb2Ge4O9,-6.4850301253,-2.1534715942,0.0,-0.0759088715,GGA,P-3c1,A4B9C2_hP90_165_bdfg_f4g_g:Ge-O-Rb,90.0,"Invalid WP multiplicities - A4B9C2_hP90_165_2b4d5f5g_6f37g_g:Ge-O-Rb, expected Rb6(Ge11O48)5 to be Rb2Ge4O9" +mp-1186885,RbGeO3,-5.576472036,-1.4877464238,0.4197994583,0.4197994583,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ge-O-Rb +mp-1209926,RbTaGeO5,-8.0197745771,-2.7454266879,0.0,-0.029959564,GGA,P2_12_12_1,AB5CD_oP96_19_3a_15a_3a_3a:Ge-O-Rb-Ta,96.0,AB5CD_oP96_19_3a_15a_3a_3a:Ge-O-Rb-Ta +mp-1076737,Rb2Ta2O5,-8.1631786478,-2.5620600965,0.2669425979,0.2669425979,GGA,Imma,A5B2C2_oI36_74_cgh_h_ae:O-Rb-Ta,18.0,A5B2C2_oI36_74_cgh_h_ae:O-Rb-Ta +mp-858693,RbTaO3,-6.185109389,-0.6494338218,2.3854915165,2.3789135472,GGA,P-1,A3BC_aP20_2_6i_adi_2i:O-Rb-Ta,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_ad2i_3i:O-Rb-Ta, expected Rb3Ta3O11 to be RbTaO3" +mp-780619,RbTaO3,-8.5702714375,-3.0345958702,0.000329468,-0.0062485013,GGA,P-1,A3BC_aP20_2_6i_abi_2i:O-Rb-Ta,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_ab2i_3i:O-Rb-Ta, expected Rb3Ta3O11 to be RbTaO3" +mp-3033,RbTaO3,-8.5706009055,-3.0349253382,0.0,-0.0065779693,GGA,C2/m,A3BC_mC40_12_2i2j_gi_hi:O-Rb-Ta,20.0,A3BC_mC40_12_2i2j_gi_hi:O-Rb-Ta +mp-755018,RbTaO3,-8.518033926,-2.9823583587,0.0525669795,0.0459890102,GGA,R3m,A3BC_hR15_160_b_a_a:O-Rb-Ta,5.0,A3BC_hR15_160_b_a_a:O-Rb-Ta +mp-1076534,RbTaO3,-8.513938632,-2.9782630648,0.0566622735,0.0500843042,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Ta,5.0,A3BC_cP5_221_c_a_b:O-Rb-Ta +mp-1209439,Rb8Ta6O19,-8.1798149012,-2.938056602,0.0,-0.0759797062,GGA,I4/m,A19B8C6_tI66_87_ae2hi_i_eh:O-Rb-Ta,33.0,A19B8C6_tI66_87_ae2hi_i_eh:O-Rb-Ta +mp-556051,Rb2GeO3,-5.6477189013,-2.0770252123,0.0,-0.0498049997,GGA,P2_1/c,AB3C2_mP72_14_3e_9e_6e:Ge-O-Rb,72.0,"Invalid WP multiplicities - AB3C2_mP72_14_8e_32e_22e:Ge-O-Rb, expected Rb11(GeO4)4 to be Rb2GeO3" +mp-5461,Rb3TaO8,-6.2822312667,-1.7511571385,0.0009140089,0.0009140089,GGA,I-42m,A8B3C_tI24_121_2i_ad_b:O-Rb-Ta,12.0,A8B3C_tI24_121_2i_ad_b:O-Rb-Ta +mp-1219577,RbTa2O6,-9.0170051156,-2.9752027156,0.0352017299,0.0352017299,GGA,Ima2,A6BC2_oI36_46_2b2c_b_ab:O-Rb-Ta,18.0,"Invalid WP multiplicities - A6BC2_oI36_46_4b6c_b_ab:O-Rb-Ta, expected RbTa2O16 to be RbTa2O6" +mp-18224,Rb6Ge2O7,-5.3022084937,-1.9851364187,0.0,-0.0163651248,GGA,P2_1/c,A2B7C6_mP30_14_e_a3e_3e:Ge-O-Rb,30.0,"Invalid WP multiplicities - A2B7C6_mP30_14_e_a5e_4e:Ge-O-Rb, expected Rb8Ge2O11 to be Rb6Ge2O7" +mp-680298,Rb3Ta5O14,-9.1403349888,-3.1637835195,0.0,-0.0329087344,GGA,Pnma,A14B3C5_oP176_62_6c11d_2c2d_4c3d:O-Rb-Ta,176.0,"Invalid WP multiplicities - A14B3C5_oP176_62_24c81d_8c13d_15c21d:O-Rb-Ta, expected Rb34Ta57O186 to be Rb3Ta5O14" +mp-540632,RbTa(GeO3)3,-7.5749679471,-2.4872826851,0.0,-0.0279298364,GGA,P-6c2,A3B9CD_hP28_188_k_kl_a_c:Ge-O-Rb-Ta,28.0,A3B9CD_hP28_188_k_kl_a_c:Ge-O-Rb-Ta +mp-1197311,Rb8Ta6O23,-7.6420073935,-2.4321485092,0.188280352,0.188280352,GGA,C2/c,A23B8C6_mC148_15_c11f_2e3f_3f:O-Rb-Ta,74.0,A23B8C6_mC148_15_a11f_2e3f_3f:O-Rb-Ta +mp-18464,Rb4GeO4,-5.0445930139,-1.896602015,0.0,-0.0533895875,GGA,P2_1/c,AB4C4_mP36_14_e_4e_4e:Ge-O-Rb,36.0,AB4C4_mP36_14_e_4e_4e:Ge-O-Rb +mp-1111146,Li2NiAgF6,-4.470970724,-2.0810295018,0.318591046,0.318591046,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Li-Ni,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Li-Ni +mp-1104502,Bi(Mo3S4)2,-7.6902670867,-0.8898678383,0.0713765607,0.0713765607,GGA,R-3,AB6C8_hR45_148_a_f_cf:Bi-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Bi-Mo-S +mp-1229231,BiMo30(PbS10)4,-7.7142265647,-0.9206455595,0.0405988395,0.0405988395,GGA,P-1,AB30C4D40_aP75_2_a_15i_2i_20i:Bi-Mo-Pb-S,75.0,"Invalid WP multiplicities - AB30C4D40_aP75_2_a_30i_3i_40i:Bi-Mo-Pb-S, expected BiMo60(Pb3S40)2 to be BiMo30(PbS10)4" +mp-1216755,U2CoSi3,-8.0308658183,-0.3696838342,0.0574901408,0.0574901408,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Co-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Co-Si-U +mp-1102105,U2Co3Si,-8.6991734433,-0.4769915375,0.0,-0.0923421392,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Si-U,12.0,A3BC2_hP12_194_h_a_f:Co-Si-U +mp-541830,UCo5Si3,-7.4943291467,-0.4822232494,0.0203997166,0.0203997166,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Co-Si-U,54.0,A5B3C_hP54_176_5h_3h_h:Co-Si-U +mp-1216320,UCoCuSi2,-7.02821786,-0.358303753,0.044496366,0.044496366,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Co-Cu-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Co-Cu-Si-U +mp-1103185,U3Co2Si7,-7.6100267375,-0.4376857517,0.0056433467,0.0056433467,GGA,Cmmm,A2B7C3_oC24_65_g_c2gh_ah:Co-Si-U,12.0,A2B7C3_oC24_65_g_c2gh_ah:Co-Si-U +mp-1206392,UCoSi2,-7.816091115,-0.5035001488,0.0,-0.0317834339,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-U,,AB2C_oC16_63_c_2c_c:Co-Si-U +mp-1216852,U(Co5Si)2,-7.3671019531,-0.1959308746,0.0642257853,0.0642257853,GGA,Fmmm,A10B2C_oF52_69_c2n_e_a:Co-Si-U,13.0,A10B2C_oF52_69_c2n_e_a:Co-Si-U +mp-21429,U(CoSi)2,-7.811206778,-0.539470446,0.0,-0.0208545396,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-U,5.0,A2B2C_tI10_139_d_e_a:Co-Si-U +mp-21178,U2Co3Si5,-7.609928405,-0.5064920495,0.0123869932,0.0123869932,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Si-U,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_2a2j_b2fj_j:Co-Si-U, expected U2Co6Si7 to be U2Co3Si5" +mp-569882,U6Co30Si19,-7.4965309237,-0.513275715,0.0,-0.0067653664,GGA,P6_3/m,A30B19C6_hP110_176_10h_c6h_2h:Co-Si-U,110.0,"Invalid WP multiplicities - A30B19C6_hP110_176_56h_2c33h_9h:Co-Si-U, expected U27Co168Si101 to be U6Co30Si19" +mp-20811,UCoSi,-8.3176786425,-0.3759966975,0.0897193901,0.0897193901,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-U,12.0,ABC_oC12_63_c_c_a:Co-Si-U +mp-907952,UCoSi,-8.3434195075,-0.4017375625,0.0639785251,0.0639785251,GGA,Cmcm,ABC_oC12_63_c_c_a:Co-Si-U,12.0,ABC_oC12_63_c_c_a:Co-Si-U +mp-560544,Ba3Zn5In2O11,-5.6114642883,-2.184198281,0.0,-0.0118463111,GGA,F-43m,A3B2C11D5_cF168_216_f_e_ab2eh_eg:Ba-In-O-Zn,42.0,"Invalid WP multiplicities - A3B2C11D5_cF168_216_f_e_ab7e7h_2e2g:Ba-In-O-Zn, expected Ba3Zn10In2O57 to be Ba3Zn5In2O11" +mp-676291,Ta6Te3S,-9.039760324,-0.5684569913,0.0,-0.0067608597,GGA,P-1,AB6C3_aP60_2_3i_ab17i_9i:S-Ta-Te,60.0,"Invalid WP multiplicities - AB6C3_aP60_2_5i_ab34i_17i:S-Ta-Te, expected Ta35Te17S5 to be Ta6Te3S" +mp-1208493,Ta20Te5S3,-9.8368718739,-0.3625350287,0.0899503727,0.0899503727,GGA,C2/c,A3B20C5_mC112_15_ef_ce9f_e2f:S-Ta-Te,56.0,A3B20C5_mC112_15_ef_ce9f_e2f:S-Ta-Te +mp-1208430,Ta6Nb3Te2S3,-9.2719088982,-0.6900130206,0.0037596259,0.0037596259,GGA,P2_1/m,A3B3C6D2_mP28_11_3e_3e_6e_2e:Nb-S-Ta-Te,28.0,A3B3C6D2_mP28_11_3e_3e_6e_2e:Nb-S-Ta-Te +mp-18165,Na3GaS3,-4.0199008825,-1.2477549534,0.0,-0.0099723484,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ga-Na-S,28.0,AB3C3_mP28_14_e_3e_3e:Ga-Na-S +mp-561130,Na3GaS3,-4.0195017823,-1.2473558533,0.0003991002,-0.0095732482,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Ga-Na-S,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_5e_21e_21e:Ga-Na-S, expected Na21Ga5S21 to be Na3GaS3" +mp-1221067,NaCeS2,-5.8095776725,-1.927449127,0.0718707125,-0.001975616,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ce-Na-S,4.0,ABC2_tP4_123_a_d_bc:Ce-Na-S +mp-36536,NaCeS2,-5.8566443975,-1.974515852,0.0248039875,-0.049042341,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ce-Na-S,8.0,ABC2_tI16_141_a_b_e:Ce-Na-S +mp-1221073,NaCeS2,-5.881448385,-1.9993198395,0.0,-0.0738463285,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Na-S,4.0,ABC2_hR12_166_a_b_c:Ce-Na-S +mp-1204327,NaCe(GaS2)4,-5.0245058555,-1.2773917503,0.0,-0.0154424033,GGA,Fddd,AB4CD8_oF224_70_ab_2h_e_4h:Ce-Ga-Na-S,56.0,AB4CD8_oF224_70_ab_2h_e_4h:Ce-Ga-Na-S +mp-28773,Na4Ga2S5,-4.1512088243,-1.2395231377,0.0,-0.0347191136,GGA,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Ga-Na-S,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_3e_4e_7e:Ga-Na-S, expected Na4Ga3S7 to be Na4Ga2S5" +mp-37496,NaCe5S8,-6.8000454507,-2.2229333076,0.0114902336,0.0114902336,GGA,I-4,A5BC8_tI28_82_ag_c_2g:Ce-Na-S,14.0,"Invalid WP multiplicities - A5BC8_tI28_82_a2g_c_5g:Ce-Na-S, expected NaCe9S20 to be NaCe5S8" +mp-1042757,CrAs2O7,-6.956358315,-1.5965477891000002,0.1315741035,0.1315741035,GGA+U,P2_1/c,A2BC7_mP40_14_2e_e_7e:As-Cr-O,40.0,A2BC7_mP40_14_2e_e_7e:As-Cr-O +mp-795621,Ca2CrO8,-6.4553111918,-1.6155151082,0.3135228984,0.3135228984,GGA+U,Cm,A2BC8_mC22_8_b_a_4a2b:Ca-Cr-O,11.0,A2BC8_mC22_8_b_a_4a2b:Ca-Cr-O +mp-1182459,Ca5Cr3O13,-7.5340292886,-2.6152628573000003,0.0416465956,0.0416465956,GGA+U,P2_1/m,A5B3C13_mP42_11_3ef_3e_7e3f:Ca-Cr-O,42.0,"Invalid WP multiplicities - A5B3C13_mP42_11_6ef_6e_13e12f:Ca-Cr-O, expected Ca8Cr6O37 to be Ca5Cr3O13" +mp-1042375,CaCr2O7,-7.5965703115,-2.0027187316,0.0802565462,0.0802565462,GGA+U,P2_1,AB2C7_mP20_4_a_2a_7a:Ca-Cr-O,20.0,AB2C7_mP20_4_a_2a_7a:Ca-Cr-O +mp-1041638,Cr3(AsO4)4,-7.0966902865,-1.5861409209,0.192702164,0.192702164,GGA+U,P2_1/c,A4B3C16_mP46_14_2e_ae_8e:As-Cr-O,46.0,"Invalid WP multiplicities - A4B3C16_mP46_14_5e_ae_29e:As-Cr-O, expected Cr3(As5O29)2 to be Cr3(AsO4)4" +mp-1364538,CaCr2O4,-8.3505101948,-2.4793030998,0.2223778723,0.1564207295,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Cr-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Cr-O, expected Ca4Cr11O24 to be CaCr2O4" +mp-1331592,CaCr2O4,-8.3323609726,-2.4611538776,0.2405270945,0.1745699517,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Cr-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a12b:Ca-Cr-O, expected CaCr3O6 to be CaCr2O4" +mp-1405588,CaCr2O4,-8.39604479,-2.524837695,0.1768432771,0.1108861343,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Cr-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Cr-O, expected CaCr3O7 to be CaCr2O4" +mp-996948,CaCr2O4,-8.238819657,-2.367612562,0.3340684102,0.2681112673,GGA+U,Pna2_1,AB2C4_oP56_33_2a_4a_8a:Ca-Cr-O,56.0,"Invalid WP multiplicities - AB2C4_oP56_33_6a_13a_31a:Ca-Cr-O, expected Ca6Cr13O31 to be CaCr2O4" +mp-540582,CaCr2O4,-8.5728880671,-2.7016809721,0.0,-0.0659571429,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Cr-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_59_ab_2c2e_2eg:Ca-Cr-O, expected CaCr4O4 to be CaCr2O4" +mp-540593,CaCr2O4,-8.5678471975,-2.6966401025,0.0050408696,-0.0609162732,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Cr-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_4c_4c:Ca-Cr-O, expected CaCr4O4 to be CaCr2O4" +mp-1047705,CaCr2O4,-8.5182780979,-2.6470710029,0.0546099693,-0.0113471736,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Cr-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Cr-O +mp-1041960,CaCr2O4,-8.2831256464,-2.4119185514,0.2897624207,0.2238052779,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Cr-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Cr-O, expected CaCr2O10 to be CaCr2O4" +mp-1045547,CaCr2O4,-8.46511066,-2.593903565,0.1077774071,0.0418202643,GGA+U,Imma,AB2C4_oI28_74_a_bc_hi:Ca-Cr-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Ca-Cr-O, expected CaCr4O14 to be CaCr2O4" +mp-1041039,CaCr2O4,-8.4537682538,-2.5825611588,0.1191198133,0.0531626705,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Cr-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b7d_2a2b2c13d:Ca-Cr-O, expected Ca2Cr8O15 to be CaCr2O4" +mp-1048964,CaCr2O4,-8.5028081848,-2.6316010898,0.0700798824,0.0041227395,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Cr-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b8d_2a2b2c16d:Ca-Cr-O, expected Ca2Cr9O18 to be CaCr2O4" +mp-1040810,CaCr2O4,-8.4911211682,-2.6199140732,0.0817668989,0.0158097561,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Cr-O,28.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Cr-O +mp-1271990,CaCr2O4,-8.5459063129,-2.6746992179,0.0269817543,-0.0389753886,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Cr-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Cr-O +mp-1045913,Ca2Cr9O13,-8.7412896421,-2.2748071322,0.1231703603,0.1231703603,GGA+U,P-1,A2B9C13_aP24_2_i_b4i_e6i:Ca-Cr-O,24.0,A2B9C13_aP24_2_i_b4i_e6i:Ca-Cr-O +mp-1404745,Ca2Cr3O8,-8.1034455038,-2.5231492069,0.0544630877,0.0544630877,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Cr-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Cr-O +mp-1042858,Ca2Cr3O8,-8.04410191,-2.4638056131,0.1138066815,0.1138066815,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Cr-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Cr-O, expected Ca2Cr3O12 to be Ca2Cr3O8" +mp-1204789,CaCrO6,-6.4127933195,-1.2454458673,0.5792032608000001,0.5792032608000001,GGA+U,Pbcm,ABC6_oP64_57_2d_e_2d5e:Ca-Cr-O,64.0,ABC6_oP64_57_2d_e_2d5e:Ca-Cr-O +mp-21976,Ca5Cr3O12,-7.6249269449,-2.7075566276,0.0210431618,0.0210431618,GGA+U,Pnma,A5B3C12_oP80_62_c2d_cd_2c5d:Ca-Cr-O,80.0,A5B3C12_oP80_62_c2d_cd_2c5d:Ca-Cr-O +mp-677284,Ca11Cr7O28,-7.5429026091,-2.5833327203,0.1066930319,0.1066930319,GGA+U,R3c,A11B7C28_hR276_161_2a3b_a2b_a9b:Ca-Cr-O,92.0,"Invalid WP multiplicities - A11B7C28_hR276_161_4a12b_2a4b_2a39b:Ca-Cr-O, expected Ca40Cr14O119 to be Ca11Cr7O28" +mp-1042764,CaCrAs2O7,-7.2372737266,-2.1823914413,0.0815692768,0.0815692768,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Cr-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Cr-O +mp-1041451,CaCr4O9,-8.157630615,-2.0763457463,0.2507682482,0.2507682482,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Ca-Cr-O,28.0,AB4C9_tP28_85_c_g_a2g:Ca-Cr-O +mp-1375444,CaCr2O6,-7.6613650928,-1.9956065275,0.3091534944,0.3091534944,GGA+U,P1,AB2C6_aP18_1_2a_4a_12a:Ca-Cr-O,18.0,AB2C6_aP18_1_2a_4a_12a:Ca-Cr-O +mp-1337174,CrAsO5,-7.0834147843,-1.5054705798,0.1825417078,0.1825417078,GGA+U,P2_12_12_1,ABC5_oP28_19_a_a_5a:As-Cr-O,28.0,ABC5_oP28_19_a_a_5a:As-Cr-O +mp-20772,CaCrO3,-7.9187860535,-2.6190433567,0.0557747038,0.0557747038,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Cr-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Cr-O +mp-19077,CrAsO4,-7.6377297492,-1.9545762958,0.0147713731,-0.0573244998,GGA+U,Pnma,ABC4_oP24_62_c_a_2cd:As-Cr-O,24.0,ABC4_oP24_62_c_a_2cd:As-Cr-O +mp-1204934,CrAsO4,-7.6525011222,-1.9693476689,0.0,-0.0720958728,GGA+U,Imma,ABC4_oI72_74_ef_cf_hi2j:As-Cr-O,36.0,ABC4_oI72_74_ef_cf_hi2j:As-Cr-O +mp-1403563,CaCr4O8,-8.5074206923,-2.3388591962,0.108658131,0.108658131,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Ca-Cr-O,13.0,AB4C8_mC26_8_a_4a_8a:Ca-Cr-O +mp-1444394,CaCr4O8,-8.5192523915,-2.3506908954,0.0968264318,0.0968264318,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Cr-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Cr-O, expected CaCr4O14 to be CaCr4O8" +mp-1384096,Ca2CrO5,-7.1459845562,-2.346273208,0.305039805,0.305039805,GGA+U,Ima2,A2BC5_oI32_46_c_a_b2c:Ca-Cr-O,16.0,A2BC5_oI32_46_c_a_b2c:Ca-Cr-O +mp-1366509,CaCrO2,-7.7659927538,-2.3779865606,0.3002125196,0.3002125196,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Cr-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Ca-Cr-O, expected Ca2Cr3O7 to be CaCrO2" +mp-1387504,CaCrO2,-7.7611551619,-2.3731489687,0.3050501115,0.3050501115,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Cr-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Cr-O, expected Ca2Cr3O7 to be CaCrO2" +mp-1046321,CaCrO2,-7.9567542575,-2.5687480644000003,0.1094510158,0.1094510158,GGA+U,P2_1/m,ABC2_mP16_11_2e_2e_4e:Ca-Cr-O,16.0,"Invalid WP multiplicities - ABC2_mP16_11_2e_3e_7e:Ca-Cr-O, expected Ca2Cr3O7 to be CaCrO2" +mp-1044720,CaCrO2,-7.7479015631,-2.35989537,0.3183037102,0.3183037102,GGA+U,C2/m,ABC2_mC32_12_2i_2i_4i:Ca-Cr-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Ca-Cr-O, expected Ca2Cr3O7 to be CaCrO2" +mp-1214059,CaCrO2,-7.9942452119,-2.6062390188,0.0719600615,0.0719600615,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Ca-Cr-O,16.0,ABC2_tI32_141_c_d_h:Ca-Cr-O +mp-1044320,CaCr3O7,-8.1199257705,-2.1570563824,0.2460298677,0.2460298677,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Cr-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Cr-O, expected CaCr5O7 to be CaCr3O7" +mp-1377823,Ca3Cr2O7,-7.734791955,-2.7389823251000003,0.0411419819,0.0411419819,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Cr-O,24.0,A3B2C7_oC48_36_ab_b_a3b:Ca-Cr-O +mp-1043430,CaCr4O6,-8.7066886445,-2.3159684602,0.1206622024,0.1206622024,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Cr-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Ca-Cr-O, expected CaCr12O6 to be CaCr4O6" +mp-19215,CaCrO4,-7.67376587,-2.4328655042,0.0,-0.171558489,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Ca-Cr-O,12.0,ABC4_tI24_141_a_b_h:Ca-Cr-O +mp-1214428,CaCr2O2,-7.427497259,-1.1864828105,0.9560764537,0.9560764537,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Ca-Cr-O,20.0,AB2C2_tI40_141_c_h_h:Ca-Cr-O +mp-1394047,CaCr2O5,-8.0743209188,-2.3186786217,0.1789425692,0.1789425692,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Cr-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Cr-O +mp-1866196,CaCr2O5,-8.0314285869,-2.2757862898,0.221834901,0.221834901,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Cr-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Cr-O +mp-1105485,Ca2Cr2O5,-8.0230914428,-2.6841205254,0.1519992394,0.1519992394,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Ca-Cr-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Ca-Cr-O +mp-1371664,Ca2Cr2O5,-8.0070582467,-2.6680873293,0.1680324356,0.1680324356,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Cr-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Cr-O, expected CaCrO6 to be Ca2Cr2O5" +mp-732343,Cr2As6O19,-6.8652292904,-1.6338259243,0.0510890268,0.0510890268,GGA+U,Pmmn,A6B2C19_oP54_59_eg_c_a2ef3g:As-Cr-O,54.0,A6B2C19_oP54_59_eg_c_a2ef3g:As-Cr-O +mp-1343018,CaCrAsO5,-7.52651797,-2.3951168061,0.0720349219,0.0720349219,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Cr-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Cr-O +mp-1214694,CrAsO6,-6.7416020292,-1.2425647614,0.2344459903,0.2344459903,GGA+U,Pbca,ABC6_oP64_61_c_c_6c:As-Cr-O,64.0,ABC6_oP64_61_c_c_6c:As-Cr-O +mp-1047487,Ca3Cr3(AsO4)4,-7.4101117769,-2.3039796596,0.0872761253,0.0872761253,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Cr-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Cr-O, expected Ca3Cr3(As5O29)2 to be Ca3Cr3(AsO4)4" +mp-780397,Ca2CrO4,-7.5960663445,-2.8173517623,0.0379912922,0.0379912922,GGA+U,Pna2_1,A2BC4_oP56_33_4a_2a_8a:Ca-Cr-O,56.0,"Invalid WP multiplicities - A2BC4_oP56_33_13a_5a_29a:Ca-Cr-O, expected Ca13Cr5O29 to be Ca2CrO4" +mp-1077617,Eu2Fe2O5,-7.7522834283,-0.8425623643,1.5899717211,1.5899717211,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Eu-Fe-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Eu-Fe-O +mp-861621,Eu2Fe2O5,-9.2763010089,-2.3665799449,0.0659541406,0.0659541406,GGA+U,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Eu-Fe-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_ab_h_c2i:Eu-Fe-O, expected Eu2Fe2O9 to be Eu2Fe2O5" +mp-555758,Eu3Fe5O12,-8.8672931395,-2.2432243403,0.0186237929,0.0186237929,GGA+U,Ia-3d,A3B5C12_cI160_230_c_ad_h:Eu-Fe-O,80.0,"Invalid WP multiplicities - A3B5C12_cI160_230_c_5a5d_h:Eu-Fe-O, expected Eu3Fe25O12 to be Eu3Fe5O12" +mp-1215769,YbEu(FeO2)4,-8.2693994157,-2.1800990864,0.0359698054,0.0359698054,GGA+U,P2/m,AB4C8D_mP14_10_a_mn_2m2n_e:Eu-Fe-O-Yb,,"Invalid WP multiplicities - AB4C8D_mP14_10_c_2m2n_4m4n_e:Eu-Fe-O-Yb, expected YbEu(FeO2)8 to be YbEu(FeO2)4" +mp-1189159,Eu3FeO6,-9.6912894085,-2.7991735208,0.0166680163,0.0166680163,GGA+U,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Eu-Fe-O,20.0,A3BC6_oC40_36_ab_a_2a2b:Eu-Fe-O +mp-504703,EuFeO3,-9.147178386,-2.4337605573,0.0127520439,0.0127520439,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Eu-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Eu-Fe-O +mp-1011260,EuFeO3,-9.13360513,-2.4201873013,0.0263252999,0.0263252999,GGA+U,Imma,ABC3_oI20_74_e_a_eg:Eu-Fe-O,10.0,ABC3_oI20_74_e_a_eg:Eu-Fe-O +mp-1075904,EuFeO3,-9.079024254,-2.3656064253,0.0809061759,0.0809061759,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Fe-O,5.0,ABC3_cP5_221_a_b_c:Eu-Fe-O +mp-631399,OsPtCl2,-4.3954103025,0.853483215,1.4395166467,1.4395166467,GGA,F-43m,A2BC_cF16_216_ac_b_d:Cl-Os-Pt,4.0,A2BC_cF16_216_ac_b_d:Cl-Os-Pt +mp-1192649,OsPt(N2Cl3)2,-4.5713626154,0.5732790854,1.1333628235,1.1333628235,GGA,Cmce,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Os-Pt,24.0,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Os-Pt +mp-725591,Pt(NCl2)2,-4.042093315,0.2633738007,0.7523534763,0.7523534763,GGA,C2/c,A4B2C_mC28_15_2f_f_e:Cl-N-Pt,14.0,A4B2C_mC28_15_2f_f_e:Cl-N-Pt +mp-1104401,Pt(NCl2)2,-3.6204791829,0.6849879329,1.1739676085,1.1739676085,GGA,P4_2/mnm,A4B2C_tP14_136_j_f_a:Cl-N-Pt,14.0,A4B2C_tP14_136_j_f_a:Cl-N-Pt +mp-1078720,Pt(NCl)4,-3.8675977678,1.3336533056,1.713970831,1.713970831,GGA,I4/mmm,A4B4C_tI18_139_ce_h_a:Cl-N-Pt,9.0,A4B4C_tI18_139_ce_h_a:Cl-N-Pt +mp-726178,Pt(NCl3)2,-3.0986167578,0.6608658122000001,1.0411833377,1.0411833377,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Pt,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Pt +mp-1078605,Pt(NCl)2,-4.673681198,0.6145581,1.0833848453,1.0833848453,GGA,P-1,A2B2C_aP10_2_2i_2i_bc:Cl-N-Pt,10.0,A2B2C_aP10_2_2i_2i_bc:Cl-N-Pt +mp-1079724,Pt(NCl)2,-4.19961873,1.088620568,1.5574473133,1.5574473133,GGA,P-1,A2B2C_aP10_2_2i_2i_i:Cl-N-Pt,10.0,A2B2C_aP10_2_2i_2i_i:Cl-N-Pt +mp-1411223,Pt(NCl)2,-3.813394964,1.474844334,1.9436710793,1.9436710793,GGA,P-1,A2B2C_aP10_2_2i_2i_ab:Cl-N-Pt,10.0,A2B2C_aP10_2_2i_2i_ab:Cl-N-Pt +mp-1079331,Pt(NCl)2,-4.069683436,1.218555862,1.6873826073,1.6873826073,GGA,P2_1/c,A2B2C_mP10_14_e_e_a:Cl-N-Pt,10.0,A2B2C_mP10_14_e_e_a:Cl-N-Pt +mp-1179836,Pt(NCl)2,-4.552850623,0.735388675,1.2042154203,1.2042154203,GGA,P2_1/c,A2B2C_mP10_14_e_e_a:Cl-N-Pt,10.0,A2B2C_mP10_14_e_e_a:Cl-N-Pt +mp-1179847,Pt(NCl)2,-4.0909033105,1.1973359875,1.6661627328000002,1.6661627328000002,GGA,Pmn2_1,A2B2C_oP20_31_4a_4a_2a:Cl-N-Pt,20.0,"Invalid WP multiplicities - A2B2C_oP20_31_7a_7a_2a:Cl-N-Pt, expected Pt2(NCl)7 to be Pt(NCl)2" +mp-1079262,Pt(NCl)2,-3.815840766,1.472398532,1.9412252773,1.9412252773,GGA,P4/m,A2B2C_tP10_83_j_j_ab:Cl-N-Pt,10.0,A2B2C_tP10_83_j_j_ab:Cl-N-Pt +mp-1105981,Pt(NCl)2,-4.0765116785,1.2117276195,1.6805543648,1.6805543648,GGA,P4/mnc,A2B2C_tP20_128_h_h_ab:Cl-N-Pt,20.0,A2B2C_tP20_128_h_h_ab:Cl-N-Pt +mp-1096358,TiCdCu2,-2.289822165,1.9643766142,2.0459982017,2.0459982017,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Cu-Ti,4.0,AB2C_oI8_71_a_e_b:Cd-Cu-Ti +mp-504862,Ti4Cd(CuO4)3,-7.6666116685,-2.4584745499,0.0705856978,0.0705856978,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Cd-Cu-O-Ti,20.0,AB3C12D4_cI40_204_a_b_g_c:Cd-Cu-O-Ti +mp-1101127,Ti2CdO6,-7.258712515,-2.1038229527,0.5523660379,0.5523660379,GGA,P1,AB6C2_aP18_1_2a_12a_4a:Cd-O-Ti,18.0,AB6C2_aP18_1_2a_12a_4a:Cd-O-Ti +mp-676240,Ti2CdO6,-7.288863505,-2.1339739427,0.5222150479000001,0.5222150479000001,GGA,P2_1,AB6C2_mP18_4_a_6a_2a:Cd-O-Ti,18.0,"Invalid WP multiplicities - AB6C2_mP18_4_a_11a_3a:Cd-O-Ti, expected Ti3CdO11 to be Ti2CdO6" +mp-1079829,Ti2CdO6,-7.63828698,-2.4833974177,0.1727915729,0.1727915729,GGA,P-31m,AB6C2_hP9_162_a_k_d:Cd-O-Ti,9.0,AB6C2_hP9_162_a_k_d:Cd-O-Ti +mp-849246,Ti2CdO5,-8.1285745025,-2.9476598338,0.0405527806,0.0405527806,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Cd-O-Ti,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_c6f_f:Cd-O-Ti, expected Ti2CdO13 to be Ti2CdO5" +mp-1101047,TiCdO3,-6.296802835,-1.5651132529,1.11453518,1.082517581,GGA,P1,AB3C_aP10_1_2a_6a_2a:Cd-O-Ti,10.0,AB3C_aP10_1_2a_6a_2a:Cd-O-Ti +mp-1179551,TiCdO3,-7.245404959,-2.5137153769,0.165933056,0.133915457,GGA,P-1,AB3C_aP10_2_i_3i_i:Cd-O-Ti,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Cd-O-Ti, expected TiCdO6 to be TiCdO3" +mp-20940,TiCdO3,-7.3717698475,-2.6400802654,0.0395681675,0.0075505685,GGA,Pmc2_1,AB3C_oP20_26_ab_ab2c_c:Cd-O-Ti,20.0,AB3C_oP20_26_ab_ab2c_c:Cd-O-Ti +mp-1179263,TiCdO3,-7.1912718715,-2.4595822894,0.2200661435,0.1880485445,GGA,Pmc2_1,AB3C_oP20_26_ab_ab2c_c:Cd-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_26_2a2b_2a2b5c_c:Cd-O-Ti, expected TiCd2O7 to be TiCdO3" +mp-5052,TiCdO3,-7.372593441,-2.6409038589,0.038744574,0.006726975,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:Cd-O-Ti,20.0,AB3C_oP20_33_a_3a_a:Cd-O-Ti +mp-14550,TiCdO3,-7.368795386,-2.6371058039,0.042542629,0.01052503,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cd-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Cd-O-Ti +mp-13641,TiCdO3,-7.411338015,-2.6796484329,0.0,-0.032017599,GGA,R-3,AB3C_hR30_148_c_f_c:Cd-O-Ti,10.0,AB3C_hR30_148_c_f_c:Cd-O-Ti +mp-1016846,TiCdO3,-7.213101972,-2.4814123899,0.198236043,0.166218444,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Ti,5.0,AB3C_cP5_221_a_c_b:Cd-O-Ti +mp-22345,TiCdO3,-5.403051798,-0.6713622159,2.008286217,1.976268618,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-O-Ti,5.0,AB3C_cP5_221_b_c_a:Cd-O-Ti +mp-1111086,Na2CrAuF6,-5.070564143,-2.3664787568,0.2866426562,0.2866426562,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-Na +mp-1219041,Sn3SbSe2I5,-3.4196346655,-0.6454190736000001,0.0695329758,0.0695329758,GGA,Cm,A5BC2D3_mC22_8_5a_a_2a_3a:I-Sb-Se-Sn,11.0,A5BC2D3_mC22_8_5a_a_2a_3a:I-Sb-Se-Sn +mp-1219043,Sn2SbSe2I3,-3.5749565762,-0.6299482068000001,0.0611681151,0.0611681151,GGA,Cmc2_1,A3BC2D2_oC32_36_3a_a_2a_2a:I-Sb-Se-Sn,16.0,"Invalid WP multiplicities - A3BC2D2_oC32_36_4a_a_3a_3a:I-Sb-Se-Sn, expected Sn3SbSe3I4 to be Sn2SbSe2I3" +mp-1046059,ZnFe5O7,-7.540834742699999,-1.5226293089,0.1014632881,0.1014632881,GGA+U,Cmcm,A5B7C_oC52_63_a2f_c3f_c:Fe-O-Zn,26.0,"Invalid WP multiplicities - A5B7C_oC52_63_a5f_c3f_c:Fe-O-Zn, expected ZnFe11O7 to be ZnFe5O7" +mp-555802,Zn3Fe2(SeO3)6,-5.9675587264,-1.4594504878,0.0,-0.000340688,GGA+U,P2_1/c,A2B18C6D3_mP58_14_e_9e_3e_ae:Fe-O-Se-Zn,58.0,"Invalid WP multiplicities - A2B18C6D3_mP58_14_e_33e_10e_2a3e:Fe-O-Se-Zn, expected Zn4FeSe10O33 to be Zn3Fe2(SeO3)6" +mp-558345,ZnFe2(SeO3)4,-6.2539973671,-1.4359080789,0.0,-0.0126344665,GGA+U,Pc,A2B12C4D_mP38_7_2a_12a_4a_a:Fe-O-Se-Zn,38.0,"Invalid WP multiplicities - A2B12C4D_mP38_7_4a_24a_7a_a:Fe-O-Se-Zn, expected ZnFe4Se7O24 to be ZnFe2(SeO3)4" +mp-1045954,Zn2Fe9O13,-7.4855191788,-1.5248262056000002,0.11109448,0.11109448,GGA+U,C2/m,A9B13C2_mC48_12_a4i_d6i_i:Fe-O-Zn,24.0,A9B13C2_mC48_12_a4i_c6i_i:Fe-O-Zn +mp-1388887,ZnFeO2,-6.2868728387,-1.3810872781,0.2557581188,0.2557581188,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Fe-O-Zn,16.0,AB2C_aP16_1_4a_8a_4a:Fe-O-Zn +mp-1370181,ZnFeO2,-6.3913460269,-1.4855604662,0.1512849306,0.1512849306,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Fe-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Fe-O-Zn, expected Zn2Fe3O7 to be ZnFeO2" +mp-1046293,ZnFeO2,-6.4112802781,-1.5054947175,0.1313506794,0.1313506794,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Fe-O-Zn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_2i:Fe-O-Zn, expected Zn2Fe3O7 to be ZnFeO2" +mp-1047067,ZnFeO2,-6.3055139525,-1.3997283919,0.237117005,0.237117005,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Fe-O-Zn,16.0,"Invalid WP multiplicities - AB2C_mC32_12_3i_7i_2i:Fe-O-Zn, expected Zn2Fe3O7 to be ZnFeO2" +mp-776633,Zn9Fe21O40,-7.1649788601,-1.635326198,0.1004441505,0.1004441505,GGA+U,P-1,A21B40C9_aP70_2_abc9i_20i_d4i:Fe-O-Zn,70.0,"Invalid WP multiplicities - A21B40C9_aP70_2_abc17i_39i_d8i:Fe-O-Zn, expected Zn17Fe37O78 to be Zn9Fe21O40" +mp-1377137,Zn2Fe2O5,-6.5077623911,-1.597432036,0.15849475,0.15849475,GGA+U,Pbam,A2B5C2_oP18_55_g_agh_h:Fe-O-Zn,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_g_2a2g3h_h:Fe-O-Zn, expected ZnFeO6 to be Zn2Fe2O5" +mp-35033,ZnFe5O8,-7.6269398871,-1.6852713621,0.0105686346,0.0105686346,GGA+U,F-43m,A5B8C_cF56_216_ae_2e_c:Fe-O-Zn,14.0,A5B8C_cF56_216_ae_2e_c:Fe-O-Zn +mp-1100888,Zn(Fe2O3)4,-7.7411777813,-1.6278359802,0.0513663701,0.0513663701,GGA+U,P1,A8B12C_aP126_1_48a_72a_6a:Fe-O-Zn,126.0,A8B12C_aP126_1_48a_72a_6a:Fe-O-Zn +mp-1412364,Zn2Fe3O8,-6.5892027569,-1.3966596385,0.151181984,0.151181984,GGA+U,C2/m,A3B8C2_mC26_12_ah_2ij_i:Fe-O-Zn,13.0,A3B8C2_mC26_12_ah_2ij_i:Fe-O-Zn +mp-1042894,Zn2Fe3O8,-6.6213403823,-1.4287972638,0.1190443586,0.1190443586,GGA+U,P6_3mc,A3B8C2_hP26_186_c_ab2c_2b:Fe-O-Zn,26.0,"Invalid WP multiplicities - A3B8C2_hP26_186_c_a2b3c_2b:Fe-O-Zn, expected Zn2(FeO4)3 to be Zn2Fe3O8" +mp-1371689,Zn3Fe2O7,-6.0987745792,-1.4866000601,0.1289342393,0.1289342393,GGA+U,Cmc2_1,A2B7C3_oC48_36_b_a3b_ab:Fe-O-Zn,24.0,"Invalid WP multiplicities - A2B7C3_oC48_36_b_a4b_ab:Fe-O-Zn, expected Zn3Fe2O9 to be Zn3Fe2O7" +mp-743547,Zn(FeO2)2,-7.083188623,-1.6565399266,0.0892130099,0.0752235256,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Fe-O-Zn,70.0,A2B4C_aP70_1_20a_40a_10a:Fe-O-Zn +mp-677654,Zn(FeO2)2,-6.9816665471,-1.5550178507,0.1907350857,0.1767456014,GGA+U,P1,A2B4C_aP77_1_22a_44a_11a:Fe-O-Zn,77.0,A2B4C_aP77_1_22a_44a_11a:Fe-O-Zn +mp-532403,Zn(FeO2)2,-7.0784461007,-1.6517974043,0.0939555321,0.0799660479,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Fe-O-Zn,70.0,A2B4C_aP70_1_20a_40a_10a:Fe-O-Zn +mp-1340255,Zn(FeO2)2,-6.9272330871,-1.5005843907,0.2451685457,0.2311790614,GGA+U,P2_1,A2B4C_mP28_4_4a_8a_2a:Fe-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_mP28_4_8a_16a_2a:Fe-O-Zn, expected Zn(FeO2)4 to be Zn(FeO2)2" +mp-1810050,Zn(FeO2)2,-6.9721535207,-1.5455048243,0.2002481121,0.1862586279,GGA+U,Pm,A2B4C_mP28_6_2a2b2c_4a4b4c_2a2b:Fe-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Fe-O-Zn +mp-1371352,Zn(FeO2)2,-6.7818934064,-1.35524471,0.3905082264,0.3765187421,GGA+U,Pm,A2B4C_mP28_6_4a4b_8a8b_2a2b:Fe-O-Zn,28.0,A2B4C_mP28_6_4a4b_8a8b_2a2b:Fe-O-Zn +mp-1353844,Zn(FeO2)2,-7.0845020733,-1.6578533769,0.0878995595,0.0739100752,GGA+U,Cm,A2B4C_mC84_8_6a3b_12a6b_6a:Fe-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_mC84_8_6a6b_12a12b_6a:Fe-O-Zn, expected Zn(FeO2)3 to be Zn(FeO2)2" +mp-1100838,Zn(FeO2)2,-7.1187495799,-1.6921008834,0.053652053,0.0396625687,GGA+U,Cm,A2B4C_mC140_8_10a5b_20a10b_10a:Fe-O-Zn,70.0,"Invalid WP multiplicities - A2B4C_mC140_8_10a10b_20a18b_10a:Fe-O-Zn, expected Zn5Fe15O28 to be Zn(FeO2)2" +mp-531053,Zn(FeO2)2,-7.1378498035,-1.711201107,0.0345518294,0.0205623451,GGA+U,Cm,A2B4C_mC168_8_12a6b_24a12b_12a:Fe-O-Zn,84.0,"Invalid WP multiplicities - A2B4C_mC168_8_12a8b_24a21b_12a:Fe-O-Zn, expected Zn6Fe14O33 to be Zn(FeO2)2" +mp-1396010,Zn(FeO2)2,-7.0391218936,-1.6124731971,0.1332797393,0.119290255,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Fe-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_7i_i:Fe-O-Zn, expected ZnFe3O7 to be Zn(FeO2)2" +mp-1042141,Zn(FeO2)2,-7.0154607121,-1.5888120157,0.1569409207,0.1429514364,GGA+U,Pbcm,A2B4C_oP28_57_e_cde_d:Fe-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_57_e_3c3d5e_d:Fe-O-Zn, expected Zn(FeO8)2 to be Zn(FeO2)2" +mp-1376718,Zn(FeO2)2,-6.9727977211,-1.5461490246,0.1996039118,0.1856144275,GGA+U,Pmmn,A2B4C_oP28_59_ce_2eg_ab:Fe-O-Zn,28.0,A2B4C_oP28_59_ce_2eg_ab:Fe-O-Zn +mp-1378434,Zn(FeO2)2,-6.9543908089,-1.5277421125,0.2180108239,0.2040213396,GGA+U,Pnma,A2B4C_oP28_62_2c_4c_c:Fe-O-Zn,28.0,A2B4C_oP28_62_2c_4c_c:Fe-O-Zn +mp-1047701,Zn(FeO2)2,-7.0160572679,-1.5894085714,0.156344365,0.1423548807,GGA+U,Cmcm,A2B4C_oC28_63_f_acf_c:Fe-O-Zn,14.0,A2B4C_oC28_63_f_acf_c:Fe-O-Zn +mp-34296,Zn(FeO2)2,-7.120173365,-1.6935246686,0.0522282679,0.0382387836,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Fe-O-Zn,14.0,A2B4C_oI28_74_ae_hi_c:Fe-O-Zn +mp-34140,Zn(FeO2)2,-7.1489150329,-1.7222663364000002,0.0234866,0.0094971157,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Fe-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c15d_a2b3c:Fe-O-Zn, expected Zn2Fe8O17 to be Zn(FeO2)2" +mp-34425,Zn(FeO2)2,-7.1288161326,-1.7021674362,0.0435855002,0.029596016,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Fe-O-Zn,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab7d_2a2b2c13d_a2b3c:Fe-O-Zn, expected Zn2Fe8O15 to be Zn(FeO2)2" +mp-530413,Zn(FeO2)2,-7.1484377701,-1.7217890737,0.0239638627,0.0099743785,GGA+U,P3m1,A2B4C_hP84_156_2a3bc6d_4a4b4c12d_4a3b5c:Fe-O-Zn,84.0,"Invalid WP multiplicities - A2B4C_hP84_156_2a3bc14d_4a4b4c30d_4a3b5c:Fe-O-Zn, expected Zn2Fe8O17 to be Zn(FeO2)2" +mp-34730,Zn(FeO2)2,-7.1084249043,-1.6817762079,0.0639767286,0.0499872443,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Fe-O-Zn,14.0,A2B4C_hR42_160_ab_2a2b_2a:Fe-O-Zn +mp-530636,Zn(FeO2)2,-7.1378551136,-1.7112064171,0.0345465193,0.020557035,GGA+U,R3m,A2B4C_hR168_160_4a4b_8a8b_8a:Fe-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_hR168_160_4a7b_8a22b_8a:Fe-O-Zn, expected Zn8Fe25O74 to be Zn(FeO2)2" +mp-530392,Zn(FeO2)2,-7.1537687255,-1.7271200291,0.0186329073,0.004643423,GGA+U,R3m,A2B4C_hR168_160_4a4b_8a8b_8a:Fe-O-Zn,56.0,"Invalid WP multiplicities - A2B4C_hR168_160_4a7b_8a22b_8a:Fe-O-Zn, expected Zn8Fe25O74 to be Zn(FeO2)2" +mp-531960,Zn(FeO2)2,-7.1566697864,-1.7300210900000002,0.0157318464,0.0017423621,GGA+U,R3m,A2B4C_hR210_160_5a5b_10a10b_10a:Fe-O-Zn,70.0,"Invalid WP multiplicities - A2B4C_hR210_160_5a9b_10a23b_10a:Fe-O-Zn, expected Zn10Fe32O79 to be Zn(FeO2)2" +mp-1388646,Zn(FeO2)2,-7.15747845,-1.7308297536,0.0149231829,0.0009336986,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Fe-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Fe-O-Zn +mp-19313,Zn(FeO2)2,-7.1724016329,-1.7457529364000002,0.0,-0.0139894843,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Fe-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Fe-O-Zn +mp-755535,ZnFeO3,-6.3785908425,-1.4646246518,0.1157094556,0.1157094556,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Fe-O-Zn,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_9f_f:Fe-O-Zn, expected Zn2(FeO6)3 to be ZnFeO3" +mp-1373518,ZnFeO3,-6.333410405,-1.4194442143,0.1608898931,0.1608898931,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Zn,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Zn +mp-755099,ZnFeO3,-6.380725602,-1.4667594112,0.1135746961,0.1135746961,GGA+U,R-3,AB3C_hR30_148_c_f_c:Fe-O-Zn,10.0,AB3C_hR30_148_c_f_c:Fe-O-Zn +mp-1332408,ZnFe3O7,-6.7542556789,-1.1818349317,0.3172475572,0.3172475572,GGA+U,Pnma,A3B7C_oP44_62_cd_c3d_c:Fe-O-Zn,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_c2d_c3d_c:Fe-O-Zn, expected ZnFe5O7 to be ZnFe3O7" +mp-757326,Zn2Fe7O12,-7.474583621,-1.7045883721,0.0078892712,0.0078892712,GGA+U,I4_1/amd,A7B12C2_tI84_141_ach_3h_e:Fe-O-Zn,42.0,"Invalid WP multiplicities - A7B12C2_tI84_141_2a2c4h_8h_e:Fe-O-Zn, expected ZnFe11O16 to be Zn2Fe7O12" +mp-1101180,Zn11Fe25O48,-7.2376360102,-1.7251506757,0.0122834374,0.0122834374,GGA+U,Cm,A25B48C11_mC168_8_5a10b_8a20b_3a4b:Fe-O-Zn,84.0,"Invalid WP multiplicities - A25B48C11_mC168_8_5a19b_8a36b_3a8b:Fe-O-Zn, expected Zn19Fe43O80 to be Zn11Fe25O48" +mp-1048044,ZnFe4O9,-6.8238415793,-1.1338396613,0.3489849245,0.3489849245,GGA+U,P-4,A4B9C_tP28_81_2h_ac4h_g:Fe-O-Zn,28.0,A4B9C_aP28_1_8a_18a_2a:Fe-O-Zn +mp-1379871,ZnFe4O9,-6.8225482529,-1.1325463349,0.3502782509,0.3502782509,GGA+U,P4/n,A4B9C_tP28_85_g_a2g_c:Fe-O-Zn,28.0,A4B9C_tP28_85_g_a2g_c:Fe-O-Zn +mp-1407574,ZnFe2O5,-6.6221366744,-1.2554829761,0.2720508433,0.2720508433,GGA+U,Pmmn,A2B5C_oP16_59_e_a2e_b:Fe-O-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Fe-O-Zn +mp-1043265,ZnFe2O5,-6.6295851744,-1.2629314761,0.2646023433,0.2646023433,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Fe-O-Zn,16.0,A2B5C_oC32_63_f_c2f_c:Fe-O-Zn +mp-1043611,Zn(Fe2O3)2,-7.4197970905,-1.5270733889,0.1228259468,0.1228259468,GGA+U,Cmcm,A4B6C_oC44_63_2f_ac2f_c:Fe-O-Zn,22.0,"Invalid WP multiplicities - A4B6C_oC44_63_6f_ac2f_c:Fe-O-Zn, expected Zn(Fe2O)6 to be Zn(Fe2O3)2" +mp-766377,Zn9Fe15O32,-6.9373618857,-1.6394681464,0.0931503347,0.0931503347,GGA+U,P1,A15B32C9_aP56_1_15a_32a_9a:Fe-O-Zn,56.0,A15B32C9_aP56_1_15a_32a_9a:Fe-O-Zn +mp-1045634,Zn(FeO2)4,-7.1580418269,-1.41086197,0.1860260455,0.1860260455,GGA+U,Cm,A4B8C_mC26_8_4a_8a_a:Fe-O-Zn,13.0,A4B8C_mC26_8_4a_8a_a:Fe-O-Zn +mp-1383237,Zn(FeO2)4,-7.1213665738,-1.3741867169,0.2227012986,0.2227012986,GGA+U,R-3m,A4B8C_hR39_166_bd_ch_a:Fe-O-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Fe-O-Zn, expected Zn(Fe2O7)2 to be Zn(FeO2)4" +mp-1207462,Zr6Co(SnH5)2,-5.8221782753,-0.5410769208,0.064546255,0.064546255,GGA,P-62c,AB10C2D6_hP38_190_b_ag2h_f_gh:Co-H-Sn-Zr,38.0,AB10C2D6_hP38_190_b_ag2h_f_gh:Co-H-Sn-Zr +mp-1188065,ZrCoH3,-5.667087547,-0.500248235,0.0,-0.0614330378,GGA,Cmcm,AB3C_oC20_63_c_cf_c:Co-H-Zr,10.0,"Invalid WP multiplicities - AB3C_oC20_63_c_2cf_c:Co-H-Zr, expected ZrCoH4 to be ZrCoH3" +mp-643923,Zr2CoH5,-5.6780095566,-0.5320908966,0.0317181441,0.0317181441,GGA,P4/ncc,AB5C2_tP32_130_c_bg_f:Co-H-Zr,32.0,AB5C2_tP32_130_c_bg_f:Co-H-Zr +mp-1246461,FeCo5N4,-7.7400502655,-0.004291277,0.1051593365,0.1051593365,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Co-Fe-N,20.0,A5BC4_oP20_59_ag_b_ef:Co-Fe-N +mp-1247037,Fe10CoN8,-8.3287136121,0.0134174034,0.2873310136,0.2873310136,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Co-Fe-N,19.0,AB10C8_mC38_12_a_5i_4i:Co-Fe-N +mp-1212650,Fe3CoN,-8.230755656,-0.059780386,0.1001081875,0.1001081875,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Co-Fe-N,5.0,AB3C_cP5_221_a_c_b:Co-Fe-N +mp-1246348,Fe3(CoN)8,-7.7528338821,0.0876169279,0.2275933729,0.2275933729,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Co-Fe-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Co-Fe-N +mp-1246235,Fe2Co9N8,-7.6531230847,0.1156591245,0.2302930329,0.2302930329,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Co-Fe-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Co-Fe-N +mp-1188210,Ce2Fe12Co5,-7.8675591616,-0.022926435,0.0668019295,0.0668019295,GGA,R-3m,A2B5C12_hR57_166_c_cd_fh:Ce-Co-Fe,19.0,A2B5C12_hR57_166_c_cd_fh:Ce-Co-Fe +mp-1191482,Ce2Fe12Co5N3,-8.1923372695,-0.280632425,0.0928878877,0.0928878877,GGA,R-3m,A2B5C12D3_hR66_166_c_cd_fh_e:Ce-Co-Fe-N,22.0,A2B5C12D3_hR66_166_c_cd_fh_e:Ce-Co-Fe-N +mp-1246230,Fe2Co3N4,-7.9206421928,0.0361328633,0.2100268989,0.2100268989,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Co-Fe-N,18.0,A3B2C4_mC36_15_ef_f_2f:Co-Fe-N +mp-1246033,Fe(CoN)3,-7.7692322057,0.0599762757,0.1936580821,0.1936580821,GGA,P6_3/mmc,A3BC3_hP14_194_h_c_h:Co-Fe-N,14.0,A3BC3_hP14_194_h_c_h:Co-Fe-N +mp-1246435,Fe2CoN2,-8.034502608,0.109767405,0.361476875,0.361476875,GGA,C2/m,AB2C2_mC10_12_a_i_i:Co-Fe-N,5.0,AB2C2_mC10_12_a_i_i:Co-Fe-N +mp-1245531,Fe2CoN2,-8.150676325,-0.006406312,0.245303158,0.245303158,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Co-Fe-N,10.0,AB2C2_tI10_139_a_e_e:Co-Fe-N +mp-1245599,Fe(CoN)2,-7.806104307,0.065825023,0.223426456,0.223426456,GGA,Cmc2_1,A2BC2_oC20_36_b_a_b:Co-Fe-N,10.0,A2BC2_oC20_36_b_a_b:Co-Fe-N +mp-1246772,Fe(CoN)2,-7.77444967,0.09747966,0.255081093,0.255081093,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Co-Fe-N,5.0,A2BC2_tI10_139_e_a_e:Co-Fe-N +mp-1245567,Fe(CoN)2,-7.751853631999999,0.120075698,0.277677131,0.277677131,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Co-Fe-N,5.0,A2BC2_hP5_164_d_a_d:Co-Fe-N +mp-5662,Ce2Fe17N3,-8.49411533,-0.2729324366,0.0611058402,0.0611058402,GGA,R-3m,A2B17C3_hR66_166_c_cdfh_e:Ce-Fe-N,22.0,"Invalid WP multiplicities - A2B17C3_hR66_166_c_2cdfh_e:Ce-Fe-N, expected Ce2Fe19N3 to be Ce2Fe17N3" +mp-1247046,Fe(Co5N4)2,-7.5782641026,0.1188495058,0.2081408776,0.2081408776,GGA,C2/m,A10BC8_mC38_12_5i_a_4i:Co-Fe-N,19.0,A10BC8_mC38_12_5i_a_4i:Co-Fe-N +mp-1226668,CeFeCo,-7.332439975,-0.1619639217,0.0049589208,0.0049589208,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Co-Fe,6.0,ABC_oI12_74_e_a_c:Ce-Co-Fe +mp-1247267,Fe5CoN4,-8.327857742,-0.0474173875,0.2178767999999999,0.2178767999999999,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Co-Fe-N,20.0,AB5C4_oP20_59_a_bg_ef:Co-Fe-N +mp-1221028,NaNd3PtO7,-7.5390365846,-2.8452930938,0.0392212758,0.0392212758,GGA,Cc,AB3C7D_mC48_9_a_3a_7a_a:Na-Nd-O-Pt,24.0,"Invalid WP multiplicities - AB3C7D_mC48_9_a_3a_13a_a:Na-Nd-O-Pt, expected NaNd3PtO13 to be NaNd3PtO7" +mp-1221329,Na2Nd2PtO6,-6.8637253314,-2.5062152369,0.0337065589,0.0337065589,GGA,C2,A2B2C6D_mC44_5_abc_abc_6c_c:Na-Nd-O-Pt,22.0,"Invalid WP multiplicities - A2B2C6D_mC44_5_abc_ab2c_12c_c:Na-Nd-O-Pt, expected Na2Nd3PtO12 to be Na2Nd2PtO6" +mp-1111973,K2AlAgCl6,-3.826661771,-1.8376468023,0.0,-0.0012514055,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Cl-K +mp-29363,Rb3GaP2,-3.19953486,-0.4001509844,0.0,-0.1223165457,GGA,Pbca,AB2C3_oP96_61_2c_4c_6c:Ga-P-Rb,96.0,AB2C3_oP96_61_2c_4c_6c:Ga-P-Rb +mp-1202177,RbNa8(GaP2)3,-3.3677778607,-0.4163978869,0.0,-0.0417694516,GGA,Pnma,A3B8C6D_oP72_62_3c_8c_6c_c:Ga-Na-P-Rb,72.0,A3B8C6D_oP72_62_3c_8c_6c_c:Ga-Na-P-Rb +mp-1173850,Na6GaP3,-3.0840720202,-0.3637564899,0.0,-0.0163507962,GGA,P1,AB6C3_aP40_1_4a_24a_12a:Ga-Na-P,40.0,AB6C3_aP40_1_4a_24a_12a:Ga-Na-P +mp-1188143,Sm(BIr)4,-7.9895842967,-0.5684854146,0.0,-0.0674929528,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Sm,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Sm +mp-1080381,SmB2Ir3,-8.0966700067,-0.6645579706,0.0,-0.0467399575,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Sm,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Sm +mp-1219112,SmB4(IrOs)2,-8.4450338606,-0.493060923,0.0240865567,0.0240865567,GGA,P4_2,A4B2C2D_tP18_77_2d_d_d_c:B-Ir-Os-Sm,18.0,A4B2C2D_tP18_77_2d_d_d_c:B-Ir-Os-Sm +mp-1079428,Sm(BIr)2,-7.892229223,-0.7413816157,0.0,-0.0903159725,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Sm,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Sm +mp-1209561,Sm(BIr)2,-7.5327458515,-0.3818982442,0.3594833715,0.269167399,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-Ir-Sm,20.0,A2B2C_tI40_141_h_h_c:B-Ir-Sm +mp-978678,Sm(BOs)2,-8.557933742,-0.4515128347,0.0,-0.0764633435,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Os-Sm,10.0,A2B2C_oF40_70_e_f_a:B-Os-Sm +mp-1189226,Sm(BOs)4,-8.8682840883,-0.3854370952,0.0,-0.0293278272,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Os-Sm,18.0,A4B4C_tP18_86_g_g_a:B-Os-Sm +mp-5489,LuTaO4,-9.783966305,-3.7563858058,0.0,-0.0642711694,GGA,P2/c,AB4C_mP12_13_e_2g_f:Lu-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Lu-O-Ta +mp-12862,LuTaO4,-9.7744191633,-3.7468386642,0.0095471417,-0.0547240277,GGA,C2/c,AB4C_mC24_15_e_2f_e:Lu-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Lu-O-Ta +mp-973920,Lu2Ta2O5,-9.0771195167,-2.6892417549000003,0.6891112484,0.6891112484,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Lu-O-Ta,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Lu-O-Ta, expected Lu2Ta2O9 to be Lu2Ta2O5" +mp-662606,LuTa6Br13O3,-6.6808005804,-1.8678853316,0.0,-0.0245032928,GGA,I4_122,A13BC3D6_tI184_98_cdf5g_c_cg_3g:Br-Lu-O-Ta,92.0,"Invalid WP multiplicities - A13BC3D6_tI184_98_4c4d3f35g_c_3c3g_17g:Br-Lu-O-Ta, expected LuTa34(Br9O)9 to be LuTa6Br13O3" +mp-780049,LuTa7O19,-10.1345452763,-3.4118608525000003,0.0179321265,0.0179321265,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Lu-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh6k10l_c2l:Lu-O-Ta, expected LuTa13O82 to be LuTa7O19" +mp-756704,LuTa3O9,-10.0256915342,-3.5168852411,0.0133978385,0.0133978385,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:Lu-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_5e6f_af:Lu-O-Ta, expected LuTa3O17 to be LuTa3O9" +mp-771005,LuTa3O9,-9.9969017385,-3.4880954453,0.0421876342,0.0421876342,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:Lu-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_12c9d_2a2d:Lu-O-Ta, expected LuTa6O30 to be LuTa3O9" +mp-755660,Lu3TaO7,-9.3580630282,-3.8992039219,0.0246618451,0.0246618451,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Lu-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_a2c_6b3c_a:Lu-O-Ta, expected Lu5TaO12 to be Lu3TaO7" +mp-779145,Lu3TaO7,-9.3405905175,-3.8817314112,0.0421343558,0.0421343558,GGA,Pnma,A3B7C_oP44_62_cd_c3d_c:Lu-O-Ta,44.0,"Invalid WP multiplicities - A3B7C_oP44_62_3c2d_4c9d_c:Lu-O-Ta, expected Lu7TaO22 to be Lu3TaO7" +mp-752641,Lu3TaO7,-9.3223816245,-3.8635225183,0.0603432487,0.0603432487,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Lu-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Lu-O-Ta, expected Lu5TaO13 to be Lu3TaO7" +mp-1111317,Na2AgSbF6,-4.411810174,-2.3042620105,0.2889535068,0.2889535068,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Sb +mp-1110760,K2RbBiBr6,-3.292707918,-1.6567088103,0.1024918751,0.1024918751,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Rb +mp-12012,KPrGeSe4,-4.9126264,-1.4129151903,0.0,-0.0227147287,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Ge-K-Pr-Se,14.0,"Invalid WP multiplicities - ABCD4_mP14_4_a_a_a_6a:Ge-K-Pr-Se, expected KPrGeSe6 to be KPrGeSe4" +mp-1228974,AlVCo,-6.7757694058,-0.1298361742,0.2833091133,0.2833091133,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Al-Co-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Al-Co-V, expected Al3(VCo)2 to be AlVCo" +mp-1228827,AlV2Fe,-7.7297444475,-0.1338921525,0.147611115,0.147611115,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Al-Fe-V,4.0,ABC2_oC8_35_a_b_ab:Al-Fe-V +mp-4955,AlVCo2,-7.19253093,-0.4310015575,0.0,-0.0330874729,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-V,4.0,AB2C_cF16_225_a_c_b:Al-Co-V +mp-1008530,AlVFeCo,-7.5024440225,-0.4004887962,0.0293932925,0.0293932925,GGA,F-43m,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-V,4.0,ABCD_cF16_216_a_c_d_b:Al-Co-Fe-V +mp-1228816,AlVFe2,-7.82366123,-0.38128015,0.04748247,-0.1429757391,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Fe-V,4.0,AB2C_tP4_123_a_h_b:Al-Fe-V +mp-1228804,AlVFe2,-7.581035575,-0.138654495,0.290108125,0.0996499159,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Fe-V,4.0,AB2C_cF16_216_a_bc_d:Al-Fe-V +mp-5778,AlVFe2,-7.8711437,-0.42876262,0.0,-0.1904582091,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-V,4.0,AB2C_cF16_225_a_c_b:Al-Fe-V +mp-977570,LiPr2Os,-5.718804815,-0.0442793633,0.0088948068,0.0088948068,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Pr,4.0,ABC2_cF16_225_a_b_c:Li-Os-Pr +mp-31354,Pr3OsO7,-8.5386911123,-3.0662451419,0.0,-0.0703864479,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Os-Pr,22.0,A7BC3_oC44_63_cgh_a_bg:O-Os-Pr +mp-12449,LiPr2OsO6,-8.04235678,-2.8045333726,0.0,-0.0363183314,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Li-O-Os-Pr,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_5e_b_e:Li-O-Os-Pr, expected LiPr2OsO10 to be LiPr2OsO6" +mp-1204271,Hf7Tl18Pb2S25,-5.421514616,-1.131813834,0.000336684,0.000336684,GGA,Pa-3,A7B2C25D18_cP208_205_ad_c_b4d_3d:Hf-Pb-S-Tl,208.0,A7B2C25D18_cP208_205_ad_c_b4d_3d:Hf-Pb-S-Tl +mp-22147,HfPbS3,-6.6720010605,-1.4561639204,0.0050592355,0.0050592355,GGA,Pnma,ABC3_oP20_62_c_c_3c:Hf-Pb-S,20.0,ABC3_oP20_62_c_c_3c:Hf-Pb-S +mp-648519,ThMn4(CuO4)3,-7.7357653295,-1.9497751313,0.035532282,0.035532282,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Th,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Th +mp-1187487,ThCuO3,-7.738799444,-2.4681732333,0.530382224,0.530382224,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Th,5.0,AB3C_cP5_221_b_c_a:Cu-O-Th +mp-1189555,Ce5CuBi3,-5.6212204083,-0.5894293156,0.0026006821,0.0026006821,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Bi-Ce-Cu,18.0,A3B5C_hP18_193_g_dg_b:Bi-Ce-Cu +mp-1195928,Ce2CuBiS5,-6.0329803217,-1.534299939,0.0084817478,0.0084817478,GGA,Pnma,AB2CD5_oP36_62_c_2c_c_5c:Bi-Ce-Cu-S,36.0,AB2CD5_oP36_62_c_2c_c_5c:Bi-Ce-Cu-S +mp-1224522,La9Mn5S21,-6.792543786,-1.7325555686,0.1761907044,0.1761907044,GGA,R3,A9B5C21_hR210_146_6b_4a2b_14b:La-Mn-S,70.0,"Invalid WP multiplicities - A9B5C21_hR210_146_16b_4a2b_34b:La-Mn-S, expected La24Mn5S51 to be La9Mn5S21" +mp-1188428,La3MnS5,-7.0192186733,-2.0578535687,0.1099284121,0.1099284121,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:La-Mn-S,18.0,A3BC5_hP18_193_g_b_dg:La-Mn-S +mp-1022981,LaMg6Mn,-2.8197774737,0.1426853634,0.216574668,0.216574668,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Mn, expected LaMg12Mn to be LaMg6Mn" +mp-1022987,LaMg6Mn,-2.8260902294,0.1363726078,0.2102619124,0.2102619124,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Mn, expected LaMg12Mn to be LaMg6Mn" +mp-1247059,LaMgMnS4,-6.1142004779,-1.5079002043,0.1674713211,0.1674713211,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:La-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:La-Mg-Mn-S, expected LaMgMnS12 to be LaMgMnS4" +mp-1247054,La3Mg2MnS8,-6.0980836571,-1.7936411113,0.1745397266,0.1745397266,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:La-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:La-Mg-Mn-S, expected La3Mg2MnS22 to be La3Mg2MnS8" +mp-1028105,LaMg14Mn,-2.212527415,0.0688440286,0.1129060233,0.1129060233,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Mn, expected LaMg18Mn to be LaMg14Mn" +mp-1028104,LaMg14Mn,-2.2022677994,0.0791036442,0.1231656389,0.1231656389,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Mn, expected LaMg26Mn to be LaMg14Mn" +mp-1246759,LaMg2Mn3S8,-6.1695381057,-1.2613801046,0.1211821084,0.1211821084,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:La-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:La-Mg-Mn-S, expected LaMg2Mn3S16 to be LaMg2Mn3S8" +mp-1193319,Rb3SbS3,-3.9642714596,-1.1814210228,0.0,-0.094956693,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Rb-S-Sb,28.0,A3B3C_cP28_198_3a_b_a:Rb-S-Sb +mp-1195291,Rb2Cu2Sb2S5,-4.3523573255,-0.7978361164000001,0.0,-0.0078255371,GGA,P2_1/c,A2B2C5D2_mP44_14_2e_2e_5e_2e:Cu-Rb-S-Sb,44.0,A2B2C5D2_mP44_14_2e_2e_5e_2e:Cu-Rb-S-Sb +mp-17154,Rb3SbS4,-4.0911066631,-1.1390562975,0.0,-0.0339058414,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Rb-S-Sb,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_2c2d_2cd_c:Rb-S-Sb, expected Rb6SbS4 to be Rb3SbS4" +mp-561051,Rb2Sb4S7,-4.4716082031,-0.8229757282,0.0,-0.0166732563,GGA,P-1,A2B7C4_aP26_2_2i_7i_4i:Rb-S-Sb,26.0,"Invalid WP multiplicities - A2B7C4_aP26_2_3i_13i_8i:Rb-S-Sb, expected Rb3Sb8S13 to be Rb2Sb4S7" +mp-4818,Rb2Sb4S7,-4.4612270488,-0.812594574,0.0103811542,-0.0062921021,GGA,P2_1/c,A2B7C4_mP26_14_e_a3e_2e:Rb-S-Sb,26.0,"Invalid WP multiplicities - A2B7C4_mP26_14_e_a5e_2e:Rb-S-Sb, expected Rb2Sb4S11 to be Rb2Sb4S7" +mp-10621,RbSbS2,-4.3114096619,-0.9658009003,0.0,-0.017369319,GGA,P-1,AB2C_aP16_2_2i_4i_2i:Rb-S-Sb,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_6i_3i:Rb-S-Sb, expected Rb2(SbS2)3 to be RbSbS2" +mp-1103859,Tl(Mo3S4)2,-7.6177313147,-0.9158551319,0.0453892671,0.0453892671,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Tl,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Tl +mp-542618,Tl2Mo9S11,-7.6089491139,-0.8890815766,0.0120850474,0.0120850474,GGA,R-3,A9B11C2_hR132_148_3f_2c3f_2c:Mo-S-Tl,44.0,"Invalid WP multiplicities - A9B11C2_hR132_148_13f_4c13f_3c:Mo-S-Tl, expected Tl3Mo39S43 to be Tl2Mo9S11" +mp-1200344,Tl2Mo9S11,-7.6105900516,-0.8907225144,0.0104441097,0.0104441097,GGA,R-3c,A9B11C2_hR132_167_ef_cef_c:Mo-S-Tl,44.0,A9B11C2_hR132_167_ef_cef_c:Mo-S-Tl +mp-1199234,Tl2Mo15Se19,-7.2578638146,-0.7625205918,0.0401236496,0.0401236496,GGA,R-3c,A15B19C2_hR216_167_e2f_2ce2f_c:Mo-Se-Tl,72.0,A15B19C2_hR216_167_e2f_2ce2f_c:Mo-Se-Tl +mp-1217489,Tl3Mo15Se19,-7.1241368409,-0.7404882149,0.0505328114,0.0505328114,GGA,P2_1/m,A15B19C3_mP74_11_3e6f_3e8f_ef:Mo-Se-Tl,74.0,"Invalid WP multiplicities - A15B19C3_mP74_11_6e24f_6e26f_ef:Mo-Se-Tl, expected Tl3(Mo27Se29)2 to be Tl3Mo15Se19" +mp-1103923,Tl(Mo3Se4)2,-7.114387422,-0.7541317135000001,0.060883365,0.060883365,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Tl,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Tl +mp-3411,Tl(MoSe)3,-7.1720933607,-0.6881893736,0.0,-0.051160947,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Mo-Se-Tl,14.0,A3B3C_hP14_176_h_h_c:Mo-Se-Tl +mp-1103583,Tl(MoSe)3,-7.1302922893,-0.6463883022,0.0418010714,-0.0093598756,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Mo-Se-Tl,14.0,A3B3C_hP14_176_h_h_c:Mo-Se-Tl +mp-1216595,Tl2SeS,-3.5695118325,-0.480099923,0.0290407265,0.0290407265,GGA,Fmmm,ABC2_oF32_69_g_h_fi:S-Se-Tl,8.0,ABC2_oF32_69_g_h_fi:S-Se-Tl +mp-1216748,TlMo6(SeS)4,-7.3721414393,-0.8410754937,0.0594737543,0.0594737543,GGA,P1,A6B4C4D_aP15_1_6a_4a_4a_a:Mo-S-Se-Tl,15.0,A6B4C4D_aP15_1_6a_4a_4a_a:Mo-S-Se-Tl +mp-1198146,Tl2Mo9Se11,-7.1427981736,-0.7431998310000001,0.0314616141,0.0314616141,GGA,R-3,A9B11C2_hR132_148_3f_2c3f_2c:Mo-Se-Tl,44.0,A9B11C2_hR132_148_3f_2c3f_2c:Mo-Se-Tl +mp-1210163,Nd5Mn8(PbO8)3,-8.0997243877,-2.4248411433,0.1031368701,0.1031368701,GGA+U,Pm-3m,A8B5C24D3_cP40_221_g_abc_ij_d:Mn-Nd-O-Pb,40.0,A8B5C24D3_cP40_221_g_abc_ij_d:Mn-Nd-O-Pb +mp-1193039,Ce4CrS7,-7.1394551883,-1.9444090918,0.1372964053,0.1372964053,GGA,P2_1,A4BC7_mP24_4_4a_a_7a:Ce-Cr-S,24.0,"Invalid WP multiplicities - A4BC7_mP24_4_7a_a_13a:Ce-Cr-S, expected Ce7CrS13 to be Ce4CrS7" +mp-866516,Ce3AlCrS7,-6.8488869596,-1.8361336402,0.0434633535,0.0434633535,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Cr-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Cr-S +mp-1104474,Ce(Al2Cr)4,-5.93177866,-0.2002489927,0.0183529185,0.0183529185,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ce-Cr,13.0,A8BC4_tI26_139_ij_a_f:Al-Ce-Cr +mp-3910,Ce(Al10Cr)2,-4.5251681887,-0.1707898976,0.0,-0.0234109663,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Ce-Cr,46.0,A20BC2_cF184_227_cfg_a_d:Al-Ce-Cr +mp-1214308,Ce3CrS6,-7.2138922832,-1.9867908696,0.0139302588,0.0139302588,GGA,Pnnm,A3BC6_oP40_58_3g_ac_6g:Ce-Cr-S,40.0,A3BC6_oP40_58_3g_ac_6g:Ce-Cr-S +mp-21871,CeCrS3,-7.27207448,-1.6729772349,0.0,-0.0117716145,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ce-Cr-S,20.0,ABC3_oP20_62_c_c_3c:Ce-Cr-S +mp-685991,Li5SiP3,-4.0588225678,-0.5910625807000001,0.0,-0.0384908418,GGA,Cc,A5B3C_mC36_9_5a_3a_a:Li-P-Si,18.0,"Invalid WP multiplicities - A5B3C_mC36_9_10a_6a_a:Li-P-Si, expected Li10SiP6 to be Li5SiP3" +mp-721253,Li10Si(PSe6)2,-4.1664239026,-1.0747403249,0.0,-0.0304517814,GGA,P1,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-Se-Si,50.0,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-Se-Si +mp-706277,Li10Si(PSe6)2,-4.1553849478,-1.0637013701,0.0110389548,-0.0194128266,GGA,P4_2mc,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-Se-Si,50.0,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-Se-Si +mp-831182,Na7Cr2O6,-5.554642256,-1.6717153052,0.1098667366,0.1098667366,GGA+U,C2/c,A2B7C6_mC60_15_f_e3f_3f:Cr-Na-O,30.0,"Invalid WP multiplicities - A2B7C6_mC60_15_f_2e11f_11f:Cr-Na-O, expected Na12CrO11 to be Na7Cr2O6" +mp-1212351,Na3CrO6,-4.430002993,-0.0999274312,1.566848261,1.566848261,GGA+U,Cmmm,AB3C6_oC20_65_a_de_kp:Cr-Na-O,10.0,AB3C6_oC20_65_a_de_kp:Cr-Na-O +mp-19280,NaCr3O8,-7.7274878429,-1.9062230601,0.0,-0.0219499298,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-Na-O,24.0,A3BC8_mC24_12_ai_d_2ij:Cr-Na-O +mp-1101719,NaCr3O8,-7.69822189,-1.8769571072,0.0292659529,0.0073160231,GGA+U,Pnnm,A3BC8_oP24_58_ag_c_2gh:Cr-Na-O,24.0,"Invalid WP multiplicities - A3BC8_oP24_58_2a2g_c_5g2h:Cr-Na-O, expected NaCr6O18 to be NaCr3O8" +mp-780184,Na2Cr4O13,-7.2415373084,-1.685527113,0.0558423194,0.0558423194,GGA+U,Pc,A4B2C13_mP38_7_4a_2a_13a:Cr-Na-O,38.0,"Invalid WP multiplicities - A4B2C13_mP38_7_6a_2a_18a:Cr-Na-O, expected NaCr3O9 to be Na2Cr4O13" +mp-780181,Na2Cr4O13,-7.2063020292,-1.6502918338,0.0910775986,0.0910775986,GGA+U,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:Cr-Na-O,76.0,"Invalid WP multiplicities - A4B2C13_mP76_14_13e_3e_51e:Cr-Na-O, expected Na3Cr13O51 to be Na2Cr4O13" +mp-780676,Na2Cr4O13,-7.2393952537,-1.6833850583,0.0579843741,0.0579843741,GGA+U,P2_1/c,A4B2C13_mP76_14_4e_2e_13e:Cr-Na-O,76.0,"Invalid WP multiplicities - A4B2C13_mP76_14_11e_3e_29e:Cr-Na-O, expected Na3Cr11O29 to be Na2Cr4O13" +mp-760942,Na2CrO4,-6.5445667843,-1.9610163697,0.0283436486,-0.1091824977,GGA+U,P-1,AB2C4_aP14_2_i_2i_4i:Cr-Na-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_3i_7i:Cr-Na-O, expected Na3CrO7 to be Na2CrO4" +mp-18779,Na2CrO4,-6.5729104329,-1.9893600183,0.0,-0.1375261463,GGA+U,Cmcm,AB2C4_oC28_63_c_ac_fg:Cr-Na-O,28.0,AB2C4_oC28_63_c_ac_fg:Cr-Na-O +mp-761076,Na2CrO4,-6.5539030893,-1.9703526747,0.0190073436,-0.1185188027,GGA+U,R-3,AB2C4_hR126_148_f_2f_4f:Cr-Na-O,42.0,"Invalid WP multiplicities - AB2C4_hR126_148_f_7f_19f:Cr-Na-O, expected Na7CrO19 to be Na2CrO4" +mp-578604,NaCrO2,-7.4784840444,-2.2612464979,0.0,-0.2015278757,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cr-Na-O,16.0,ABC2_hR12_166_a_b_c:Cr-Na-O +mp-1179963,NaCrO2,-6.3590092675,-1.141771721,1.1194747769,0.9179469011,GGA+U,P6/mmm,ABC2_hP4_191_a_b_e:Cr-Na-O,4.0,ABC2_hP4_191_a_b_e:Cr-Na-O +mp-849604,Na4CrO3,-5.2818703288,-1.5589684816,0.1112646826,0.1112646826,GGA+U,Cc,AB4C3_mC32_9_a_4a_3a:Cr-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_6a_5a:Cr-Na-O, expected Na6CrO5 to be Na4CrO3" +mp-754970,Na4CrO3,-5.2365732813,-1.5136714341,0.1565617301,0.1565617301,GGA+U,Cc,AB4C3_mC32_9_a_4a_3a:Cr-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_6a_5a:Cr-Na-O, expected Na6CrO5 to be Na4CrO3" +mp-21213,NaCr(GeO3)2,-7.200983,-2.2108069259,0.0,-0.0031387515,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Na-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Na-O +mp-780132,NaCr6O11,-8.4643880611,-2.150255509,0.0656238786,0.0656238786,GGA+U,P6_3mc,A6BC11_hP36_186_2abc_b_2b3c:Cr-Na-O,36.0,"Invalid WP multiplicities - A6BC11_hP36_194_2ce3g_d_3f5h5k:Cr-Na-O, expected NaCr13O51 to be NaCr6O11" +mp-891774,NaCr6O11,-8.4629600703,-2.1488275182,0.0670518694,0.0670518694,GGA+U,P6_3/mmc,A6BC11_hP36_194_ceg_d_fhk:Cr-Na-O,36.0,"Invalid WP multiplicities - A6BC11_hP36_194_2ce3g_d_3f5h5k:Cr-Na-O, expected NaCr13O51 to be NaCr6O11" +mp-760012,NaCr4O8,-8.2226808369,-2.1066635397,0.0509574796,0.0509574796,GGA+U,I4/m,A4BC8_tI26_87_h_a_2h:Cr-Na-O,13.0,"Invalid WP multiplicities - A4BC8_tI26_87_h_a_7h:Cr-Na-O, expected NaCr4O28 to be NaCr4O8" +mp-1101673,NaCr2O4,-7.9327150346,-2.1590900234,0.0620536705,0.0620536705,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_ce_2ab_3e2g:Cr-Na-O, expected Na3Cr4O14 to be NaCr2O4" +mp-759090,NaCr2O4,-7.9577386204,-2.1841136092,0.0370300848,0.0370300848,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Cr-Na-O, expected NaCr5O13 to be NaCr2O4" +mp-755611,NaCr2O4,-7.903464535,-2.1298395238,0.0913041701,0.0913041701,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Na-O,14.0,A2BC4_cF56_227_c_b_e:Cr-Na-O +mp-704459,Na2Cr2O7,-7.0000592266,-1.8566077261,0.0,-0.0120361996,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-Na-O,44.0,"Invalid WP multiplicities - A2B2C7_aP44_2_6i_7i_27i:Cr-Na-O, expected Na7Cr6O27 to be Na2Cr2O7" +mp-696217,Na2Cr2O7,-6.9955024923,-1.8520509918,0.0045567343,-0.0074794653,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Cr-Na-O,22.0,A2B2C7_aP22_2_2i_2i_7i:Cr-Na-O +mp-850999,NaCr4O12,-7.4706518368,-1.6297706774,0.0824197034,0.0824197034,GGA+U,I4_1/acd,A4BC12_tI136_142_g_b_de2g:Cr-Na-O,68.0,"Invalid WP multiplicities - A4BC12_tI136_142_g_b_2d7e20g:Cr-Na-O, expected NaCr4O98 to be NaCr4O12" +mp-726718,Na2Cr3O9,-7.3024420489,-1.8649855205,0.0420992071,0.0420992071,GGA+U,P2_1/m,A3B2C9_mP28_11_a2e_2e_5e2f:Cr-Na-O,28.0,A3B2C9_mP28_11_a2e_2e_5e2f:Cr-Na-O +mp-754789,Na2Cr7O14,-8.120385707,-2.0564715837,0.1144751494,0.1144751494,GGA+U,R-3m,A7B2C14_hR69_166_2cd_c_c2h:Cr-Na-O,23.0,"Invalid WP multiplicities - A7B2C14_hR69_166_3c2d_c_2c5h:Cr-Na-O, expected NaCr6O17 to be Na2Cr7O14" +mp-780708,Na5CrO4,-5.278584418,-1.6733415398,0.0945329238,0.0945329238,GGA+U,Pmmn,AB5C4_oP20_59_a_bg_ef:Cr-Na-O,40.0,AB5C4_oP20_59_a_bg_ef:Cr-Na-O +mp-780700,Na5CrO4,-5.2856583539,-1.6804154757,0.0874589879,0.0874589879,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Cr-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Cr-Na-O, expected Na17CrO13 to be Na5CrO4" +mp-764560,Na5CrO4,-5.2810093115,-1.6757664333000002,0.0921080302,0.0921080302,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Cr-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Cr-Na-O, expected Na17CrO13 to be Na5CrO4" +mp-18884,Na4CrO4,-5.7670067194,-1.908128554,0.0,-0.0529576457,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Cr-Na-O,18.0,"Invalid WP multiplicities - AB4C4_aP18_2_i_7i_6i:Cr-Na-O, expected Na7CrO6 to be Na4CrO4" +mp-1076642,NaCrO3,-6.875870178,-1.7127423986,0.2964467783,0.2964467783,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Na-O,5.0,ABC3_cP5_221_b_a_c:Cr-Na-O +mp-1210429,Na3CrO4,-6.1402137387,-1.9642914643,0.0,-0.0206241447,GGA+U,Pnma,AB3C4_oP32_62_c_cd_2cd:Cr-Na-O,32.0,AB3C4_oP32_62_c_cd_2cd:Cr-Na-O +mp-1210512,Na3CrO4,-6.0345991053,-1.8586768309,0.1056146334,0.0849904888,GGA+U,P2_13,AB3C4_cP32_198_a_3a_ab:Cr-Na-O,32.0,AB3C4_cP32_198_a_3a_ab:Cr-Na-O +mp-1099683,Na2Cr2O5,-7.1399356867,-1.9527591219,0.1871582102,0.1871582102,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cr-Na-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cr-Na-O +mp-1192574,Gd3AlCdS7,-8.2054043946,-1.8844059464,0.0437221426,0.0437221426,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-Gd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-Gd-S +mp-677075,Gd2CdS4,-8.3926653671,-1.8753891232,0.0781854882,0.0781854882,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Gd-S,14.0,AB2C4_tI28_122_a_d_e:Cd-Gd-S +mp-1184403,Gd2AlCd,-8.5736015875,-0.36842407,0.0109195419,0.0109195419,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Cd-Gd,4.0,ABC2_cF16_225_a_b_c:Al-Cd-Gd +mp-1110651,Rb2LiSbF6,-4.846309063,-2.8995224573,0.0183616618,0.0183616618,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Sb +mp-17836,BaNd2BeO5,-7.87390472,-3.4374462504,0.0,-0.0145582058,GGA,P2_1/c,ABC2D5_mP36_14_e_e_2e_5e:Ba-Be-Nd-O,36.0,ABC2D5_mP36_14_e_e_2e_5e:Ba-Be-Nd-O +mp-1221902,Nd(ZnAs)3,-3.760722775,-0.5429037068,0.0,-0.0076708307,GGA,Ama2,A3BC3_oC28_40_bc_a_bc:As-Nd-Zn,14.0,A3BC3_oC28_40_bc_a_bc:As-Nd-Zn +mp-7061,NdZnAsO,-5.8717611988,-1.9633366591,0.0,-0.070680031,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Nd-O-Zn,8.0,ABCD_tP8_129_c_c_a_b:As-Nd-O-Zn +mp-1184138,Er2Sc2O5,-8.4011981811,-3.2307738049,0.4937751681,0.4937751681,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Er-O-Sc,9.0,A2B5C2_tP9_123_ab_ci_h:Er-O-Sc +mp-1213255,Er3Sc2Al3O12,-8.6789989618,-3.8307446285,0.0,-0.0019038182,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Al-Er-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Al-Er-O-Sc +mp-1212985,ErScO3,-9.1208385155,-3.9727877058,0.0408890394,0.0408890394,GGA,Pnma,AB3C_oP20_62_c_cd_a:Er-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Er-O-Sc +mp-1103998,Fe(Mo3S4)2,-7.8662700367,-0.7572353163000001,0.2045000105,0.2045000105,GGA,R-3,AB6C8_hR45_148_a_f_cf:Fe-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Fe-Mo-S +mp-907483,Fe(MoS2)2,-7.5219562843,-0.8495104418,0.1803942714,0.1803942714,GGA,P1,AB2C4_aP28_1_4a_8a_16a:Fe-Mo-S,28.0,AB2C4_aP28_1_4a_8a_16a:Fe-Mo-S +mp-542189,Fe(MoS2)2,-7.5624132171,-0.8899673746000001,0.1399373386,0.1399373386,GGA,Cc,AB2C4_mC56_9_2a_4a_8a:Fe-Mo-S,28.0,AB2C4_mC56_15_f_2f_4f:Fe-Mo-S +mp-1193219,Fe(MoS2)2,-7.5592915439,-0.8868457014000001,0.1430590118,0.1430590118,GGA,Cc,AB2C4_mC56_9_2a_4a_8a:Fe-Mo-S,28.0,AB2C4_mC56_15_f_2f_4f:Fe-Mo-S +mp-1216285,ZnFe(Mo3S4)4,-7.7466338863,-0.8779417527000001,0.0943457629,0.0943457629,GGA,R-3,AB12C16D_hR90_148_a_2f_2c2f_b:Fe-Mo-S-Zn,30.0,"Invalid WP multiplicities - AB12C16D_hR90_148_a_11f_3c11f_b:Fe-Mo-S-Zn, expected ZnFe(Mo11S12)6 to be ZnFe(Mo3S4)4" +mp-27380,FeMo3S4,-7.8736080081,-0.6795116322,0.2225754816,0.2225754816,GGA,P-1,AB3C4_aP16_2_i_3i_4i:Fe-Mo-S,16.0,AB3C4_aP16_2_i_3i_4i:Fe-Mo-S +mp-997589,La8Al7InO24,-8.24786657,-3.5683840587,0.0596603654,0.0596603654,GGA,Pm-3m,A7BC8D24_cP40_221_acd_b_g_efh:Al-In-La-O,40.0,"Invalid WP multiplicities - A7BC8D24_cP40_221_a2c2d_b_g_5e5f6h:Al-In-La-O, expected La8Al13InO132 to be La8Al7InO24" +mp-766248,Al11InO17,-7.7094986033,-3.2940942601,0.0133540574,0.0133540574,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Al-In-O,58.0,"Invalid WP multiplicities - A11BC17_hP58_194_a6f3k_c_2d2e4f12k:Al-In-O, expected Al31InO86 to be Al11InO17" +mp-1096316,La2AlIn,-2.060672815,2.0316456275,2.4898822369,2.4898822369,GGA,C2/m,ABC2_mC8_12_a_b_g:Al-In-La,4.0,ABC2_mC8_12_a_b_g:Al-In-La +mp-1178550,AlInO3,-6.9170019495,-2.6495368108,0.063033766,0.063033766,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-In-O, expected AlInO7 to be AlInO3" +mp-754157,AlInO3,-6.945375648,-2.6779105092,0.0346600675,0.0346600675,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Al-In-O,10.0,ABC3_hP10_194_c_a_bf:Al-In-O +mp-1183160,AlInO3,-6.512231168,-2.2447660292,0.4678045475,0.4678045475,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-In-O,5.0,ABC3_cP5_221_b_a_c:Al-In-O +mp-1182916,AlSeO10,-5.1103225494,-0.384624681,0.6928631875,0.6928631875,GGA,P2_1/c,AB10C_mP48_14_e_10e_e:Al-O-Se,48.0,AB10C_mP48_14_e_10e_e:Al-O-Se +mp-1238905,AlSeO10,-5.2722499146,-0.5465520462,0.5309358223,0.5309358223,GGA,P2_1/c,AB10C_mP48_14_e_10e_e:Al-O-Se,48.0,AB10C_mP48_14_e_10e_e:Al-O-Se +mp-1229334,Al2Se3O28,-4.9600920641,-0.2180869123,0.6894761095,0.6894761095,GGA,P2_1,A2B28C3_mP66_4_2a_28a_3a:Al-O-Se,66.0,A2B28C3_mP66_4_2a_28a_3a:Al-O-Se +mp-1183001,Al2(SeO4)3,-5.7378624732,-1.1885006716,0.5732393121,0.4833326884,GGA,Cc,A2B12C3_mC68_9_2a_12a_3a:Al-O-Se,34.0,"Invalid WP multiplicities - A2B12C3_mC68_9_2a_16a_4a:Al-O-Se, expected Al(SeO4)2 to be Al2(SeO4)3" +mp-780398,Al2(SeO4)3,-6.2851524866,-1.735790685,0.0259492987,-0.063957325,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Al-O-Se,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c2d:Al-O-Se, expected Al(SeO7)3 to be Al2(SeO4)3" +mp-756970,Al2(SeO4)3,-6.3111017853,-1.7617399836,0.0,-0.0899066237,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Al-O-Se,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_21f_f:Al-O-Se, expected AlSeO21 to be Al2(SeO4)3" +mp-1203225,Al2(SeO4)3,-5.8995331788000005,-1.3501713772,0.4115686065,0.3216619828,GGA,R3c,A2B12C3_hR102_161_2a_4b_b:Al-O-Se,34.0,A2B12C3_hR102_161_2a_4b_b:Al-O-Se +mp-1209251,RbAl(SeO4)2,-6.0347540042,-1.7604671252,0.0268361186,0.0268361186,GGA,P321,AB8CD2_hP12_150_a_dg_b_d:Al-O-Rb-Se,12.0,AB8CD2_hP12_150_a_dg_b_d:Al-O-Rb-Se +mp-558514,RbZrCdF7,-5.811700468,-3.4285527445,0.0,-0.0215792306,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_a_c:Cd-F-Rb-Zr,20.0,"Invalid WP multiplicities - AB7CD_oC40_63_c_2c3f5g_a_c:Cd-F-Rb-Zr, expected RbZrCdF18 to be RbZrCdF7" +mp-27316,Rb5Zr4F21,-6.412000367,-3.770849327,0.0,-0.0112353595,GGA,P2_1,A21B5C4_mP60_4_21a_5a_4a:F-Rb-Zr,60.0,"Invalid WP multiplicities - A21B5C4_mP60_4_23a_5a_4a:F-Rb-Zr, expected Rb5Zr4F23 to be Rb5Zr4F21" +mp-6951,RbCdF3,-4.23332982,-2.705757673,0.0,-0.06751352,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-F-Rb,5.0,AB3C_cP5_221_b_c_a:Cd-F-Rb +mp-13946,Rb2ZrF6,-6.1031623511,-3.6612020644,0.0,-0.0397378794,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-Rb-Zr,9.0,A6B2C_hP9_164_i_d_a:F-Rb-Zr +mp-1209141,RbZrF5,-6.5283090031,-3.8017904974,0.0021511204,0.0021511204,GGA,P-1,A5BC_aP42_2_15i_3i_3i:F-Rb-Zr,42.0,A5BC_aP42_2_15i_3i_3i:F-Rb-Zr +mp-1219629,RbCoCuF6,-4.8366467317,-2.2080986936,0.0506923336,0.0506923336,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_e:Co-Cu-F-Rb,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_e:Co-Cu-F-Rb, expected RbCoCuF12 to be RbCoCuF6" +mp-1113796,Rb2ScCuF6,-5.538642613,-3.1524808405,0.079734007,0.079734007,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Sc +mp-15387,Ba6Cu11F34,-5.0452116553,-2.6609879709,0.0003595788,0.0003595788,GGA,P-1,A6B11C34_aP51_2_3i_a5i_17i:Ba-Cu-F,51.0,"Invalid WP multiplicities - A6B11C34_aP51_2_3i_a5i_18i:Ba-Cu-F, expected Ba6Cu11F36 to be Ba6Cu11F34" +mp-28274,Ba3In2F12,-5.5838277291,-3.5721783238,0.0,-0.007587417,GGA,P4/mbm,A3B12C2_tP34_127_ah_fgl_g:Ba-F-In,34.0,"Invalid WP multiplicities - A3B12C2_tP34_127_ah_fg2l_g:Ba-F-In, expected Ba3In2F20 to be Ba3In2F12" +mp-1214395,BaInF5,-5.4677644541,-3.4351853816,0.0,-0.0034968629,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-F-In,56.0,AB5C_mP56_14_2e_10e_2e:Ba-F-In +mp-1201460,Ba5In3F19,-5.6043636827,-3.5981404875000003,0.0069159359,0.0069159359,GGA,P4_3,A5B19C3_tP216_78_10a_38a_6a:Ba-F-In,216.0,A5B19C3_tP216_78_10a_38a_6a:Ba-F-In +mp-3879,Ba2CuF6,-5.5495113311,-3.3932857361,0.0,-0.003572362,GGA,Cmce,A2BC6_oC36_64_d_a_def:Ba-Cu-F,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_de2f:Ba-Cu-F, expected Ba2CuF8 to be Ba2CuF6" +mp-554352,Ba2CuF6,-5.5337956522,-3.3775700572,0.0157156789,0.0121433169,GGA,I4/mmm,A2BC6_tI18_139_e_a_cde:Ba-Cu-F,9.0,"Invalid WP multiplicities - A2BC6_tI18_139_e_a_cd2e:Ba-Cu-F, expected Ba2CuF8 to be Ba2CuF6" +mp-29457,Ba2Cu5F14,-4.9375840705,-2.5045036526,0.0,-0.005048674,GGA,C2/c,A2B5C14_mC84_15_f_e2f_7f:Ba-Cu-F,42.0,"Invalid WP multiplicities - A2B5C14_mC84_15_f_e2f_8f:Ba-Cu-F, expected Ba2Cu5F16 to be Ba2Cu5F14" +mp-12268,BaCuF4,-5.27713805,-2.99978847,0.0046551046,0.0046551046,GGA,Cmc2_1,ABC4_oC24_36_a_a_4a:Ba-Cu-F,12.0,ABC4_oC24_36_a_a_4a:Ba-Cu-F +mp-1228148,BaInCuF7,-5.1664471135,-2.9514253023,0.0,-0.0029136066,GGA,C2/c,ABC7D_mC40_15_e_c_e3f_a:Ba-Cu-F-In,20.0,"Invalid WP multiplicities - ABC7D_mC40_15_e_a_e5f_c:Ba-Cu-F-In, expected BaInCuF11 to be BaInCuF7" +mp-1113933,Rb2InBiF6,-4.658800315,-2.656588834,0.0781509773,0.0781509773,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-In-Rb +mp-1112853,Cs2KSbBr6,-3.351851568,-1.7170140769,0.0262413725,0.0262413725,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Sb +mp-1112409,Rb2HgBiF6,-4.235817264,-2.4784061195,0.124844055,0.124844055,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-Hg-Rb +mp-1016275,CsHfMg6,-2.12787612,0.4289078428,0.4436116928,0.4436116928,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-Hf-Mg, expected CsHfMg12 to be CsHfMg6" +mp-1016377,CsHfMg6,-2.201435315,0.3553486478,0.3700524978,0.3700524978,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-Hf-Mg,8.0,ABC6_tP8_123_a_c_fk:Cs-Hf-Mg +mp-1033715,CsHfMg6O7,-6.2517183887,-2.5796455433,0.2656526199,0.2656526199,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:Cs-Hf-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:Cs-Hf-Mg-O, expected CsHfMg10O11 to be CsHfMg6O7" +mp-1034771,CsHfMg14O15,-6.0783588629,-2.6120090961,0.3410269438,0.3410269438,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Hf-Mg-O +mp-1098062,CsHfMg14O15,-6.1824423139,-2.7160925471,0.2369434928,0.2369434928,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Hf-Mg-O +mp-1098064,CsHfMg14O15,-6.1740097652,-2.7076599984,0.2453760416,0.2453760416,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Hf-Mg-O +mp-1098087,CsHfMg14O15,-6.2105165194,-2.7441667526,0.2088692874,0.2088692874,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Hf-Mg-O +mp-779264,Cs2HfO3,-7.1921863968,-2.7608430788,0.0672807399,-0.0010221595,GGA,P2_1/c,A2BC3_mP72_14_6e_3e_9e:Cs-Hf-O,72.0,"Invalid WP multiplicities - A2BC3_mP72_14_21e_9e_33e:Cs-Hf-O, expected Cs7Hf3O11 to be Cs2HfO3" +mp-1178405,Cs2HfO3,-7.2594671367,-2.8281238187,0.0,-0.0683028994,GGA,Cmcm,A2BC3_oC24_63_g_c_ce:Cs-Hf-O,12.0,"Invalid WP multiplicities - A2BC3_oC24_63_g_c_c2e:Cs-Hf-O, expected Cs2HfO5 to be Cs2HfO3" +mp-1178408,Cs2HfO3,-7.2144071392,-2.7830638212,0.0450599975,-0.0232429019,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Cs-Hf-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_5f_f_3e7f:Cs-Hf-O, expected Cs5HfO10 to be Cs2HfO3" +mp-1026586,CsHfMg14,-1.846081465,0.2324505414,0.2496050331,0.2496050331,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-Hf-Mg, expected CsHfMg18 to be CsHfMg14" +mp-1026572,CsHfMg14,-1.8647147269,0.2138172795,0.2309717712,0.2309717712,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-Hf-Mg, expected CsHfMg26 to be CsHfMg14" +mp-1040411,CsHfMg30O31,-6.2068339778,-2.8384475817,0.165892209,0.165892209,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:Cs-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:Cs-Hf-Mg-O, expected CsHfMg38O39 to be CsHfMg30O31" +mp-1038689,CsHfMg30O31,-6.1878894908,-2.8195030947,0.184836696,0.184836696,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:Cs-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2a2bc2d2e2f4g4h2i:Cs-Hf-Mg-O, expected CsHfMg38O39 to be CsHfMg30O31" +mp-1098548,CsHfMg30O31,-6.199792703,-2.831406307,0.1729334838,0.1729334838,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:Cs-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:Cs-Hf-Mg-O, expected CsHfMg38O39 to be CsHfMg30O31" +mp-1038693,CsHfMg30O31,-6.2029533625,-2.8345669665,0.1697728243,0.1697728243,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_a2b2c2d2e2f:Cs-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_a2b2c2d6e6f:Cs-Hf-Mg-O, expected CsHfMg62O63 to be CsHfMg30O31" +mp-771139,Cs4HfO4,-6.0423807428,-2.3395414802,0.0,-0.0577742317,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:Cs-Hf-O,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_15e_e_15e:Cs-Hf-O, expected Cs15HfO15 to be Cs4HfO4" +mp-1110620,Na2TlCoF6,-4.667358923,-2.3088703896,0.2202588578,0.2202588578,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-Na-Tl +mp-1215722,YbDyS3,-5.7435664785,-2.0324175344,0.1760541035,0.1760541035,GGA,Pnma,AB3C_oP20_62_c_3c_c:Dy-S-Yb,,AB3C_oP20_62_c_3c_c:Dy-S-Yb +mp-675668,Yb(PrS2)2,-6.3436338914,-2.3940311404,0.002486495,0.002486495,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-S-Yb,,A2B4C_tI28_122_d_e_a:Pr-S-Yb +mp-1188950,Yb3PrS6,-5.3224550865,-1.9006121069,0.2442849365,0.2442849365,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Pr-S-Yb,,AB6C3_mP20_11_e_6e_3e:Pr-S-Yb +mp-676154,Yb(DyS2)2,-6.2977845957,-2.3979301061,0.0088777943,0.0088777943,GGA,I-42d,A2B4C_tI28_122_d_e_a:Dy-S-Yb,,A2B4C_tI28_122_d_e_a:Dy-S-Yb +mp-561096,Yb2PrDyS6,-5.8190186835,-2.0904578479,0.1352651165,0.1352651165,GGA,P2_1/m,ABC6D2_mP20_11_e_e_6e_2e:Dy-Pr-S-Yb,,"Invalid WP multiplicities - ABC6D2_mP20_11_e_e_11e_3e:Dy-Pr-S-Yb, expected Yb3PrDyS11 to be Yb2PrDyS6" +mp-1215875,Yb5(PrS4)3,-5.581574746,-1.9976668926,0.1962687745,0.1962687745,GGA,Pm,A3B12C5_mP20_6_2ab_6a6b_2a3b:Pr-S-Yb,,A3B12C5_mP20_6_2ab_6a6b_2a3b:Pr-S-Yb +mp-1079995,YbPrS3,-5.765486371,-2.0195136439,0.223460647,0.223460647,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Pr-S-Yb,,AB3C_oC20_63_c_cf_a:Pr-S-Yb +mp-1205549,Ba2GdTaO6,-9.49075363,-3.5455554283,0.0,-0.0503828443,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Gd-O-Ta,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Gd-O-Ta +mp-1205547,Ba2GdTaO6,-9.486781455,-3.5415832533,0.003972175,-0.0464106693,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Ta +mp-1226798,CdIn4As4S,-3.819641272,-0.3493864553,0.0103115375,0.0103115375,GGA,R3m,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-In-S,10.0,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-In-S +mp-1228045,BaSc8Ni2O15,-8.7781555262,-3.457411995,0.0137402449,0.0137402449,GGA+U,Cmc2_1,AB2C15D8_oC104_36_a_b_3a6b_2a3b:Ba-Ni-O-Sc,52.0,"Invalid WP multiplicities - AB2C15D8_oC104_36_a_b_5a16b_4a8b:Ba-Ni-O-Sc, expected BaSc20Ni2O37 to be BaSc8Ni2O15" +mp-1214365,BaSc6Ni4O15,-8.1482979227,-2.8700415012,0.0514313333,0.0514313333,GGA+U,Cmce,AB4C15D6_oC104_64_a_g_bdef2g_fg:Ba-Ni-O-Sc,52.0,AB4C15D6_oC104_64_a_g_bdef2g_fg:Ba-Ni-O-Sc +mp-1093620,BaNaAu2,-2.0083757875,0.4389402709,1.0034488644,1.0034488644,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ba-Na,4.0,A2BC_oI8_71_e_a_b:Au-Ba-Na +mp-560188,Ba4NaAuO8,-5.6089904736000005,-1.905717849,0.1873914311,0.1873914311,GGA,I4/mmm,AB4CD8_tI28_139_a_g_b_2eh:Au-Ba-Na-O,14.0,"Invalid WP multiplicities - AB4CD8_tI28_139_a_g_b_3e2h:Au-Ba-Na-O, expected Ba4NaAuO14 to be Ba4NaAuO8" +mp-997009,BaAuO2,-5.5556761475,-1.7841175569,0.0294782563,0.0294782563,GGA,C2/m,ABC2_mC16_12_ab_f_gi:Au-Ba-O,8.0,"Invalid WP multiplicities - ABC2_mC16_12_ab_e_g2i:Au-Ba-O, expected BaAuO3 to be BaAuO2" +mp-1147676,BaAuO2,-5.482200525,-1.7106419344,0.1029538788,0.1029538788,GGA,P4/mmm,ABC2_tP4_123_b_c_e:Au-Ba-O,4.0,ABC2_tP4_123_b_c_e:Au-Ba-O +mp-9297,Ba(AuO2)2,-5.4825772043,-1.4463638064,0.0,-0.2381623424,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Au-Ba-O,14.0,A2BC4_tI28_88_c_b_f:Au-Ba-O +mp-1214785,Ba2AuO4,-5.3480829593,-1.5054277129,0.5143060254,0.5143060254,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Au-Ba-O,14.0,AB2C4_tI28_141_a_d_h:Au-Ba-O +mp-1183287,BaAuO3,-5.472031942,-1.4654473273,0.198319595,0.198319595,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-Ba-O,5.0,ABC3_cP5_221_b_a_c:Au-Ba-O +mp-28788,Ba9(AuO6)2,-6.0807722649,-2.4643025695,0.0,-0.0593891645,GGA,Pnma,A2B9C12_oP92_62_d_3c3d_2c5d:Au-Ba-O,92.0,A2B9C12_oP92_62_d_3c3d_2c5d:Au-Ba-O +mp-752579,Tm2TiO5,-9.1146476891,-3.9170718866,0.0,-0.0194176534,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ti-Tm,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_17c_c_5c:O-Ti-Tm, expected Tm5TiO17 to be Tm2TiO5" +mp-754192,Tm2TiO5,-9.0534913306,-3.8559155282,0.0611563584,0.041738705,GGA,Cmcm,A5BC2_oC32_63_c2f_c_f:O-Ti-Tm,16.0,"Invalid WP multiplicities - A5BC2_oC32_63_c4f_c_f:O-Ti-Tm, expected Tm2TiO9 to be Tm2TiO5" +mp-2224463,Tm4MgTi2O10,-8.5577941988,-3.5718240289,0.1769615038,0.1769615038,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Tm,17.0,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Tm +mp-2229419,Tm4MgTi2O10,-8.5630378124,-3.5770676424,0.1717178903,0.1717178903,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Tm,17.0,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Tm +mp-2229013,Tm4MgTi2O10,-8.5122861476,-3.5263159777,0.222469555,0.222469555,GGA,P-1,AB10C2D4_aP17_2_a_5i_bc_2i:Mg-O-Ti-Tm,17.0,"Invalid WP multiplicities - AB10C2D4_aP17_2_a_9i_bc_3i:Mg-O-Ti-Tm, expected Tm6MgTi2O18 to be Tm4MgTi2O10" +mp-2229151,Tm4MgTi2O10,-8.5435940776,-3.5576239077,0.191161625,0.191161625,GGA,C2,AB10C2D4_mC34_5_a_ab4c_c_2c:Mg-O-Ti-Tm,17.0,"Invalid WP multiplicities - AB10C2D4_mC34_5_a_ab6c_c_4c:Mg-O-Ti-Tm, expected Tm8MgTi2O14 to be Tm4MgTi2O10" +mp-2229217,Tm4MgTi2O10,-8.5515605847,-3.5655904148,0.1831951179,0.1831951179,GGA,Pm,AB10C2D4_mP17_6_a_ab4c_ab_2c:Mg-O-Ti-Tm,17.0,AB10C2D4_mP17_6_a_ab4c_ab_2c:Mg-O-Ti-Tm +mp-2229283,Tm4MgTi2O10,-8.5338955688,-3.5479253989,0.2008601338,0.2008601338,GGA,C2/m,AB10C2D4_mC34_12_a_5i_i_2i:Mg-O-Ti-Tm,17.0,"Invalid WP multiplicities - AB10C2D4_mC34_12_a_9i_i_4i:Mg-O-Ti-Tm, expected Tm8MgTi2O18 to be Tm4MgTi2O10" +mp-675759,Tm10Ti6O27,-8.9283031656,-3.6796542926,0.2096772095,0.2096772095,GGA,Cm,A27B6C10_mC86_8_11a8b_4ab_4a3b:O-Ti-Tm,43.0,"Invalid WP multiplicities - A27B6C10_mC86_8_11a15b_4ab_4a4b:O-Ti-Tm, expected Tm12Ti6O41 to be Tm10Ti6O27" +mp-685862,Tm10Ti6O27,-9.0372242995,-3.7885754266,0.1007560755,0.1007560755,GGA,Cm,A27B6C10_mC172_8_22a16b_4a4b_12a4b:O-Ti-Tm,86.0,"Invalid WP multiplicities - A27B6C10_mC172_8_22a31b_4a4b_12a8b:O-Ti-Tm, expected Tm7Ti3O21 to be Tm10Ti6O27" +mp-29440,CuMo3I7,-4.8987174792,-0.6305609838,0.0,-0.0097667428,GGA,Pbca,AB7C3_oP88_61_c_7c_3c:Cu-I-Mo,88.0,AB7C3_oP88_61_c_7c_3c:Cu-I-Mo +mp-1110722,Rb2CuMoI6,-3.436397536,-0.8617852335,0.1573115341,0.1573115341,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-I-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-I-Mo-Rb +mp-1213737,Cs2La10Os2I17,-4.7564349645,-1.5740853321,0.0,-0.0171041094,GGA,C2/m,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-La-Os,31.0,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-La-Os +mp-1112680,Cs2LiCeI6,-3.541685145,-1.6943836584,0.0,-0.0121897515,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-Li,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-Li +mp-1209562,Rb2PrI5,-3.5287681947,-1.7651674884,0.0,-0.0389055353,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:I-Pr-Rb,32.0,A5BC2_oP32_62_3cd_c_d:I-Pr-Rb +mp-1110769,Rb2NaPrI6,-3.352481028,-1.6620112987,0.0471153498,0.0471153498,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Na-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Na-Pr-Rb +mp-1112645,Cs3YBr6,-4.060206342,-2.213121521,0.0303874645,0.0303874645,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-Cs-Y,10.0,A6B3C_cF40_225_e_ac_b:Br-Cs-Y +mp-568937,Cs3Y2Br9,-4.4212495964,-2.3072207169,0.0,-0.0467148986,GGA,R-3c,A9B3C2_hR84_167_ef_e_c:Br-Cs-Y,28.0,"Invalid WP multiplicities - A9B3C2_hR84_167_5e6f_e_c:Br-Cs-Y, expected Cs3Y2Br51 to be Cs3Y2Br9" +mp-1112106,Cs2YTlBr6,-4.049998978,-2.0561900796,0.0068947015,0.0068947015,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Tl-Y +mp-1111325,Na2AgIrF6,-4.555332453,-1.9768409955,0.0984342754,0.0984342754,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-Na +mp-20687,Sr2LuRuO6,-7.5898821695,-2.9044349461000003,0.0,-0.0345710232,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Lu-O-Ru-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Lu-O-Ru-Sr +mp-18361,K7NbAs4,-3.5058873829,-0.4633397755,0.0,-0.0122909482,GGA,Pmn2_1,A4B7C_oP24_31_2ab_3a2b_a:As-K-Nb,24.0,A4B7C_oP24_31_2ab_3a2b_a:As-K-Nb +mp-676737,K9(NbAs3)2,-3.8995634465,-0.478921621,0.0055350656,0.0055350656,GGA,Pc,A6B9C2_mP34_7_6a_9a_2a:As-K-Nb,34.0,"Invalid WP multiplicities - A6B9C2_mP34_7_10a_16a_2a:As-K-Nb, expected K8NbAs5 to be K9(NbAs3)2" +mp-1228670,K38Nb7As24,-3.7338535878,-0.4769965301,0.0,-0.0031998207,GGA,Cmc2_1,A24B38C7_oC276_36_12a6b_14a12b_7a:As-K-Nb,138.0,"Invalid WP multiplicities - A24B38C7_oC276_36_18a14b_19a32b_10a:As-K-Nb, expected K83(Nb5As23)2 to be K38Nb7As24" +mp-1223953,K5BaNbAs4,-3.9157305568,-0.6240261627,0.0,-0.0527461812,GGA,Cc,A4BC5D_mC44_9_4a_a_5a_a:As-Ba-K-Nb,22.0,"Invalid WP multiplicities - A4BC5D_mC44_9_7a_a_10a_a:As-Ba-K-Nb, expected K10BaNbAs7 to be K5BaNbAs4" +mp-1113693,Rb2LiTlF6,-4.503449981,-2.7332991847,0.0,-0.0164357554,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Tl +mp-7593,RbLiF2,-4.6924535706,-3.0143498521,0.0058916844,0.0058916844,GGA,C2/c,A2BC_mC32_15_2ef_f_f:F-Li-Rb,16.0,"Invalid WP multiplicities - A2BC_mC32_15_4ef_f_f:F-Li-Rb, expected RbLiF3 to be RbLiF2" +mp-1173235,Sr3Ir2O7,-6.8291075742,-2.0480934326,0.1805110163,0.1805110163,GGA,C2/m,A2B7C3_mC24_12_i_aij_bi:Ir-O-Sr,12.0,"Invalid WP multiplicities - A2B7C3_mC24_12_i_a2ij_b2i:Ir-O-Sr, expected Sr5Ir2O9 to be Sr3Ir2O7" +mp-1218442,Sr3Ir2O7,-6.9376991833,-2.1566850418,0.0719194071,0.0719194071,GGA,C2/m,A2B7C3_mC24_12_i_aij_bi:Ir-O-Sr,12.0,A2B7C3_mC24_12_i_aij_bi:Ir-O-Sr +mp-753375,Sr3Ir2O7,-6.9923376829,-2.2113235414,0.0172809075,0.0172809075,GGA,Ccce,A2B7C3_oC48_68_e_aei_be:Ir-O-Sr,24.0,"Invalid WP multiplicities - A2B7C3_oC48_68_e_2a4e4i_2be:Ir-O-Sr, expected Sr2IrO13 to be Sr3Ir2O7" +mp-1193907,SrIrO3,-7.1053622237,-2.0317634703,0.0034682963,0.0034682963,GGA,C2/c,AB3C_mC60_15_af_e4f_ef:Ir-O-Sr,30.0,AB3C_mC60_15_cf_e4f_ef:Ir-O-Sr +mp-1105160,SrIrO3,-7.081156114,-2.0075573606,0.027674406,0.027674406,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ir-O-Sr,20.0,AB3C_oP20_62_a_cd_c:Ir-O-Sr +mp-17097,SrIrO3,-7.08952906,-2.0159303066,0.01930146,0.01930146,GGA,Cmcm,AB3C_oC60_63_af_cfgh_cf:Ir-O-Sr,30.0,"Invalid WP multiplicities - AB3C_oC60_63_af_cfg2h_cf:Ir-O-Sr, expected Sr3Ir3O13 to be SrIrO3" +mp-1016848,SrIrO3,-6.967076222,-1.8934774686,0.141754298,0.141754298,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ir-O-Sr,5.0,AB3C_cP5_221_b_c_a:Ir-O-Sr +mp-6662,NaSr3IrO6,-6.550915225,-2.4682268522,0.0,-0.1183418291,GGA,R-3c,ABC6D3_hR66_167_b_a_f_e:Ir-Na-O-Sr,22.0,ABC6D3_hR66_167_b_a_f_e:Ir-Na-O-Sr +mp-677396,Sr2IrO4,-6.268961092,-1.6969359589000002,0.6697918345,0.6554673298,GGA,P1,AB4C2_aP56_1_8a_32a_16a:Ir-O-Sr,56.0,AB4C2_aP56_1_8a_32a_16a:Ir-O-Sr +mp-10254,Sr2IrO4,-6.90476098,-2.3327358469,0.0339919464,0.0196674417,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Ir-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Ir-O-Sr +mp-4998,Sr2IrO4,-6.9387529264,-2.3667277933,0.0,-0.0143245047,GGA,I4_1/acd,AB4C2_tI56_142_a_df_d:Ir-O-Sr,28.0,AB4C2_tI56_142_a_df_d:Ir-O-Sr +mp-1218480,Sr5Ir3O11,-6.9249198368,-2.2209016458,0.0585903511,0.0585903511,GGA,C2,A3B11C5_mC38_5_bc_a5c_a2c:Ir-O-Sr,19.0,"Invalid WP multiplicities - A3B11C5_mC38_5_bc_a6c_a2c:Ir-O-Sr, expected Sr5Ir3O13 to be Sr5Ir3O11" +mp-753021,Sr5Ir3O11,-6.9247126953,-2.2206945042,0.0587974926,0.0587974926,GGA,Cm,A3B11C5_mC38_8_3a_5a3b_5a:Ir-O-Sr,19.0,"Invalid WP multiplicities - A3B11C5_mC38_8_3a_5a6b_5a:Ir-O-Sr, expected Sr5Ir3O17 to be Sr5Ir3O11" +mp-766034,Sr5(IrO3)6,-7.0381258707,-1.8478338311,0.0450626579,0.0450626579,GGA,Im-3,A6B18C5_cI58_204_e_dg_ac:Ir-O-Sr,29.0,"Invalid WP multiplicities - A6B18C5_cI58_204_e_4d5g_a2c:Ir-O-Sr, expected Sr3(IrO14)2 to be Sr5(IrO3)6" +mp-1208702,Sr4Ir3O10,-6.9530769694,-2.0860085302,0.0857216003,0.0857216003,GGA,I4/mmm,A3B10C4_tI34_139_ae_c2eg_2e:Ir-O-Sr,17.0,A3B10C4_tI34_139_ae_c2eg_2e:Ir-O-Sr +mp-9039,Sr4IrO6,-6.7599431473,-2.6438940327,0.0,-0.0186210759,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Ir-O-Sr,22.0,AB6C4_hR66_167_b_f_ae:Ir-O-Sr +mp-1111588,K2TlAsCl6,-3.616185289,-1.5828073484,0.0566438325,0.0566438325,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-K-Tl +mp-1228082,Ba3BeIr2O9,-6.8986362587,-2.1190759623,0.1077850738,0.1077850738,GGA,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Be-Ir-O,15.0,"Invalid WP multiplicities - A3BC2D9_hP15_164_ad_b_d_2e3i:Ba-Be-Ir-O, expected Ba3Be(IrO12)2 to be Ba3BeIr2O9" +mp-1183282,BaBeO3,-6.126401228,-2.0267104403,0.5173108550000001,0.5173108550000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Be-O,5.0,ABC3_cP5_221_a_b_c:Ba-Be-O +mp-1078693,BaCdSbF,-4.1767582687,-1.9561720419,0.0,-0.00794883,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cd-F-Sb,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cd-F-Sb +mp-865528,Ba5Cd2Sb5F,-3.9363840873,-1.321219519,0.0,-0.0167404148,GGA,Cmcm,A5B2CD5_oC52_63_a2cf_f_c_c2f:Ba-Cd-F-Sb,26.0,A5B2CD5_oC52_63_a2cf_f_c_c2f:Ba-Cd-F-Sb +mp-1207390,ZnPt3O4,-5.6733266125,-0.7658393106,0.2438957883,0.2438957883,GGA,Pm-3n,A4B3C_cP16_223_e_c_a:O-Pt-Zn,16.0,A4B3C_cP16_223_e_c_a:O-Pt-Zn +mp-8207,Zn(PtO2)3,-6.022769681,-1.1074420972,0.0,-0.0394858403,GGA,Cmmm,A6B3C_oC20_65_hp_af_b:O-Pt-Zn,10.0,"Invalid WP multiplicities - A6B3C_oC20_65_hp_a2f_b:O-Pt-Zn, expected ZnPt5O6 to be Zn(PtO2)3" +mp-35647,Zn2PtO4,-5.4827463264,-1.4288355571,0.0,-0.0076219864,GGA,Imma,A4BC2_oI28_74_hi_a_ce:O-Pt-Zn,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_2h3i_c_ae:O-Pt-Zn, expected Zn2PtO10 to be Zn2PtO4" +mp-1212755,Gd2ZnPtO6,-9.1191870365,-2.6028616688,0.0,-0.0155639417,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Gd-O-Pt-Zn,20.0,A2B6CD_mP20_14_e_3e_a_b:Gd-O-Pt-Zn +mp-1219983,PrNdFe14B,-7.9792200631,-0.0492940691,0.0078753641,0.0078753641,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Pr,68.0,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Pr +mp-17265,Sr2CuGe2O7,-6.671786985,-2.3925311295,0.0517620844,0.0517620844,GGA,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Cu-Ge-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_tP24_113_a_e_c2ef_e:Cu-Ge-O-Sr, expected Sr2CuGe2O9 to be Sr2CuGe2O7" +mp-504948,LiScGeO4,-7.5411897914,-2.8767362669,0.0076988126,0.0076988126,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Li-O-Sc,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Li-O-Sc +mp-1194740,LiSc(GeO3)2,-7.3733479855,-2.6565899906,0.0,-0.0097455824,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Li-O-Sc,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Li-O-Sc +mp-570370,SnPSe3,-4.5076829415,-0.5255611826000001,0.0,-0.0080964245,GGA,Pc,AB3C_mP20_7_2a_6a_2a:P-Se-Sn,20.0,"Invalid WP multiplicities - AB3C_mP20_7_2a_12a_4a:P-Se-Sn, expected Sn2PSe6 to be SnPSe3" +mp-5706,SnPSe3,-4.504467141,-0.5223453821,0.0032158005,-0.004880624,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:P-Se-Sn,20.0,AB3C_mP20_14_e_3e_e:P-Se-Sn +mp-673705,SnPSe3,-4.329535504,-0.3474137451,0.1781474375,0.170051013,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:P-Se-Sn,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:P-Se-Sn, expected SnPSe9 to be SnPSe3" +mp-1191952,Cs3SnPSe7,-4.03429705,-0.9859252315,0.0,-0.0016665318,GGA,P-1,A3BC7D_aP24_2_3i_i_7i_i:Cs-P-Se-Sn,24.0,A3BC7D_aP24_2_3i_i_7i_i:Cs-P-Se-Sn +mp-17722,PrTaO4,-9.7214646083,-3.6505582367,0.0,-0.0468495204,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pr-Ta,24.0,A4BC_mP24_14_4e_e_e:O-Pr-Ta +mp-1207116,Sr2PrTaO6,-8.35064583,-3.3808655741,0.1239148797,0.1239148797,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Pr-Sr-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:O-Pr-Sr-Ta +mp-1209353,Pr2Ta2O9,-9.2378667908,-3.2534387007,0.1163073639,0.1163073639,GGA,C2/m,A9B2C2_mC26_12_a4i_i_i:O-Pr-Ta,26.0,A9B2C2_mC26_12_a4i_i_i:O-Pr-Ta +mp-1330400,Pr2Ta2O9,-9.2382986623,-3.2538705722,0.1158754924,0.1158754924,GGA,C2/m,A9B2C2_mC26_12_a4i_i_i:O-Pr-Ta,13.0,A9B2C2_mC26_12_a4i_i_i:O-Pr-Ta +mp-14964,Pr3TaO7,-9.2478691868,-3.7181131983,0.0,-0.0287814206,GGA,Cmcm,A7B3C_oC44_63_cgh_ag_b:O-Pr-Ta,22.0,A7B3C_oC44_63_cgh_ag_b:O-Pr-Ta +mp-558248,PrTa3O9,-10.0357077735,-3.5069049237,0.0,-0.0154818024,GGA,P2_1/m,A9BC3_mP26_11_3e3f_e_af:O-Pr-Ta,26.0,"Invalid WP multiplicities - A9BC3_mP26_11_6e10f_e_2a2f:O-Pr-Ta, expected PrTa6O26 to be PrTa3O9" +mp-1209566,PrTa7O19,-10.1530087989,-3.4206964034,0.0,-0.0021595735,GGA,P-6c2,A19BC7_hP54_188_ghk2l_a_cl:O-Pr-Ta,54.0,A19BC7_hP54_188_ghk2l_a_cl:O-Pr-Ta +mp-542757,EuClO,-8.58242469,-2.8983489663,0.0,-0.099581299,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Eu-O,6.0,ABC_tP6_129_c_c_a:Cl-Eu-O +mp-1182681,Eu(ClO2)3,-5.1942062955,-0.6459318908,0.5078910195,0.5078910195,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Eu-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Eu-O +mp-607826,EuMoClO4,-7.9324794571,-1.8270589693,0.5386405033,0.5386405033,GGA+U,C2/m,ABCD4_mC28_12_i_i_i_2ij:Cl-Eu-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_4i3j:Cl-Eu-Mo-O, expected EuMoClO10 to be EuMoClO4" +mp-28546,Eu4Cl6O,-8.0800584905,-2.8922479567,0.0,-0.0477523477,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Cl-Eu-O,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_4c_bc_b:Cl-Eu-O, expected Eu4Cl12O to be Eu4Cl6O" +mp-627640,Eu(ClO4)3,-5.5610173675,-0.8633375978000001,0.0,-0.109511641,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Eu-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_11h6i:Cl-Eu-O, expected Eu(ClO23)3 to be Eu(ClO4)3" +mp-1025494,EuClO2,-7.3433902187,-1.8436612481,0.4062278356,0.4062278356,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-Eu-O,8.0,ABC2_mP8_11_e_e_2e:Cl-Eu-O +mp-4669,Th(MoO4)2,-8.8922336135,-2.6487183262,0.0,-0.0568888278,GGA+U,Pbca,A2B8C_oP88_61_2c_8c_c:Mo-O-Th,88.0,"Invalid WP multiplicities - A2B8C_oP88_61_2c_11c_c:Mo-O-Th, expected ThMo2O11 to be Th(MoO4)2" +mp-560756,Th(MoO4)2,-8.8903451165,-2.6468298292,0.0018884971,-0.0550003308,GGA+U,P-3,A2B8C_hP99_147_3g_12g_adg:Mo-O-Th,99.0,"Invalid WP multiplicities - A2B8C_hP99_147_9g_64g_a2d3g:Mo-O-Th, expected Th23(Mo9O64)6 to be Th(MoO4)2" +mp-704488,Th(MoO4)2,-8.7677661499,-2.5242508626,0.1244674636,0.0675786358,GGA+U,P-6,A2B8C_hP99_174_3j3k_6j6k6l_ace2k:Mo-O-Th,99.0,"Invalid WP multiplicities - A2B8C_hP99_174_7j9k_17j17k34l_ace5k:Mo-O-Th, expected Th3Mo8O51 to be Th(MoO4)2" +mp-1195429,ThMo2O9,-8.4033358198,-2.2678894139,0.1601023852,0.1601023852,GGA+U,P2_1/c,A2B9C_mP48_14_2e_9e_e:Mo-O-Th,48.0,A2B9C_mP48_14_2e_9e_e:Mo-O-Th +mp-1194895,Th2Te3MoO13,-7.7403926567,-2.5082748916,0.0111510307,0.0111510307,GGA+U,P2_1/c,AB13C3D2_mP76_14_e_13e_3e_2e:Mo-O-Te-Th,76.0,AB13C3D2_mP76_14_e_13e_3e_2e:Mo-O-Te-Th +mp-541285,Th(TeO3)2,-7.2868181619,-2.4667512393,0.0,-0.0135045528,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:O-Te-Th,36.0,A6B2C_mP36_14_6e_2e_e:O-Te-Th +mp-1187460,ThMoO3,-8.899091794,-2.2791768953,0.9487271415,0.9487271415,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mo-O-Th,5.0,AB3C_cP5_221_b_c_a:Mo-O-Th +mp-1195554,ThTe2MoO9,-7.6223998346,-2.3096061002,0.0100080465,0.0100080465,GGA+U,C2/c,AB9C2D_mC104_15_f_9f_2f_f:Mo-O-Te-Th,52.0,AB9C2D_mC104_15_f_9f_2f_f:Mo-O-Te-Th +mp-3718,ThTeO,-8.163235625,-2.9952846735,0.0,-0.0930880609,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-Te-Th,6.0,ABC_tP6_129_a_c_c:O-Te-Th +mp-1202366,ThMo2O11,-7.558426715,-1.5928028369,0.4883329909,0.4883329909,GGA+U,P2_1/c,A2B11C_mP56_14_2e_11e_e:Mo-O-Th,56.0,A2B11C_mP56_14_2e_11e_e:Mo-O-Th +mp-561075,Na2CdSnS4,-4.0518946762,-1.0364807176,0.0,-0.0118046075,GGA,C2,AB2C4D_mC16_5_a_ab_2c_b:Cd-Na-S-Sn,8.0,"Invalid WP multiplicities - AB2C4D_mC16_5_a_ab_3c_b:Cd-Na-S-Sn, expected Na2CdSnS6 to be Na2CdSnS4" +mp-29626,Na4Sn3S8,-4.363692949,-1.0029985707,0.0,-0.0061419539,GGA,C2/c,A4B8C3_mC60_15_2f_4f_ef:Na-S-Sn,30.0,"Invalid WP multiplicities - A4B8C3_mC60_15_2f_5f_ef:Na-S-Sn, expected Na4Sn3S10 to be Na4Sn3S8" +mp-1220788,Na6Cd(SnS3)4,-4.2378559848,-0.9972591438,0.0173853911,0.0173853911,GGA,C2/m,AB6C12D4_mC46_12_a_ij_2i2j_gh:Cd-Na-S-Sn,23.0,"Invalid WP multiplicities - AB6C12D4_mC46_12_a_ij_3i6j_2gh:Cd-Na-S-Sn, expected Na6Cd(SnS5)6 to be Na6Cd(SnS3)4" +mp-29628,Na4SnS4,-4.0564684961,-1.1847493299,0.0,-0.0293121489,GGA,P-42_1c,A4B4C_tP18_114_e_e_a:Na-S-Sn,18.0,A4B4C_tP18_114_e_e_a:Na-S-Sn +mp-4907,Na6Sn2S7,-4.134207456,-1.1402444867,0.0,-0.0009328467,GGA,C2/c,A6B7C2_mC60_15_ae2f_e3f_f:Na-S-Sn,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_ce3f_e4f_f:Na-S-Sn, expected Na8Sn2S9 to be Na6Sn2S7" +mp-27682,NaSnS2,-4.3352921825,-0.934042962,0.0419691247,0.0419691247,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Sn,4.0,AB2C_hR12_166_a_c_b:Na-S-Sn +mp-676084,Na2SnS,-3.1869087562,-0.4891406791,0.43440981,0.43440981,GGA,P-1,A2BC_aP16_2_bc3i_2i_2i:Na-S-Sn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_bc5i_4i_3i:Na-S-Sn, expected Na6Sn3S4 to be Na2SnS" +mp-30492,Na2CdSn,-2.097452435,-0.2030743845,0.0,-0.0468140888,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Cd-Na-Sn,8.0,AB2C_hP8_194_b_f_c:Cd-Na-Sn +mp-10698,Ba(GeRh)2,-5.920451358,-0.7417220800000001,0.0,-0.2283940215,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Ge-Rh,5.0,AB2C2_tI10_139_a_e_d:Ba-Ge-Rh +mp-540805,Ba2GeS4,-5.291810085,-1.7194133418000002,0.0,-0.0099795676,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Ba-Ge-S,28.0,A2BC4_oP28_62_2c_c_2cd:Ba-Ge-S +mp-1200759,Ba3GeS5,-5.3138815478,-1.862525769,0.0,-0.0074178039,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Ba-Ge-S,36.0,A3BC5_oP36_62_cd_c_3cd:Ba-Ge-S +mp-1199965,Ge3Rh2S3,-5.8531949897,-0.7273138765,0.0,-0.1054385097,GGA,R-3,A3B2C3_hR96_148_2f_cf_2f:Ge-Rh-S,32.0,"Invalid WP multiplicities - A3B2C3_hR96_148_2f_cf_3f:Ge-Rh-S, expected Ge6Rh4S9 to be Ge3Rh2S3" +mp-1204792,Ge3Rh2S3,-5.4973491663,-0.371468053,0.3558458234,0.2504073137,GGA,Pm-3,A3B2C3_cP32_200_j_i_k:Ge-Rh-S,32.0,A3B2C3_cP32_200_j_i_k:Ge-Rh-S +mp-1194551,BaGe4(RhS3)2,-5.5913500365,-0.9791653211,0.019900212,0.019900212,GGA,Pbca,AB4C2D6_oP52_61_a_2c_c_3c:Ba-Ge-Rh-S,52.0,AB4C2D6_oP52_61_a_2c_c_3c:Ba-Ge-Rh-S +mp-28710,BaGe2S5,-5.1275307441,-1.146620746,0.0,-0.001455258,GGA,Fd-3m,AB2C5_cF128_227_c_e_ef:Ba-Ge-S,32.0,AB2C5_cF128_227_c_e_ef:Ba-Ge-S +mp-1192163,Ba3(Ge4Rh)4,-5.1582298848,-0.4111602335,0.0036739505,0.0036739505,GGA,I4/mmm,A3B16C4_tI46_139_ad_2ejm_g:Ba-Ge-Rh,23.0,A3B16C4_tI46_139_ad_2ejm_g:Ba-Ge-Rh +mp-1070247,BaGe3Rh,-5.193392076,-0.562918801,0.0,-0.0240069101,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ba-Ge-Rh,5.0,AB3C_tI10_107_a_ab_a:Ba-Ge-Rh +mp-1195469,BaGeS3,-5.2241386627,-1.4338681836,0.0,-0.0199442263,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:Ba-Ge-S,40.0,ABC3_mP40_14_2e_2e_6e:Ba-Ge-S +mp-1035569,LiCeMg14O16,-6.3904962356,-2.9719664824,0.0915509787,0.0915509787,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ce-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ce-Li-Mg-O, expected LiCeMg18O20 to be LiCeMg14O16" +mp-1035550,LiCeMg14O16,-6.3908540406,-2.9723242874,0.0911931737,0.0911931737,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ce-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ce-Li-Mg-O, expected LiCeMg30O32 to be LiCeMg14O16" +mp-8412,LiCeO2,-7.5248374469,-3.0909900858,0.0388675077,0.0388675077,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ce-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Ce-Li-O, expected LiCeO5 to be LiCeO2" +mp-1030934,LiCeMg6O8,-6.5006452181,-2.9370700924,0.1359245305,0.1359245305,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ce-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ce-Li-Mg-O, expected LiCeMg6O12 to be LiCeMg6O8" +mp-1030908,LiCeMg6O8,-6.4458522544,-2.8822771286,0.1907174943,0.1907174943,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ce-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ce-Li-Mg-O, expected LiCeMg6O12 to be LiCeMg6O8" +mp-1099095,LiCeMg14,-1.8389178719,0.0514529232,0.0843381144,0.0843381144,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Li-Mg, expected LiCeMg18 to be LiCeMg14" +mp-1026862,LiCeMg14,-1.8517234794,0.0386473157,0.0715325069,0.0715325069,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Li-Mg, expected LiCeMg26 to be LiCeMg14" +mp-1178039,Li2CeO3,-7.0492623983,-2.9507622280000003,0.0493452817,0.0449044267,GGA,C2/c,AB2C3_mC24_15_e_2e_cf:Ce-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_4e_2a3f:Ce-Li-O, expected Li4CeO8 to be Li2CeO3" +mp-754534,Li2CeO3,-7.09860768,-3.0001075097,0.0,-0.004440855,GGA,Cmmm,AB2C3_oC12_65_a_h_bh:Ce-Li-O,6.0,AB2C3_oC12_65_a_h_bh:Ce-Li-O +mp-8611,Li8CeO6,-5.8274894233,-2.4351824663,0.0020737447,0.0020737447,GGA,R-3,AB8C6_hR45_148_a_cf_f:Ce-Li-O,15.0,"Invalid WP multiplicities - AB8C6_hR45_148_a_2c2f_f:Ce-Li-O, expected Li16CeO6 to be Li8CeO6" +mp-1021521,LiCeMg6,-2.0955517363,0.084909804,0.1239293379,0.1239293379,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Li-Mg,8.0,ABC6_oC16_38_a_b_abde:Ce-Li-Mg +mp-1021656,LiCeMg6,-2.085527535,0.0949340052,0.1339535392,0.1339535392,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Li-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ce-Li-Mg +mp-973613,LiCeO3,-7.08321141,-2.5467957789,0.471113553,0.471113553,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Li-O,5.0,ABC3_cP5_221_a_b_c:Ce-Li-O +mp-1236486,LiCe2O3,-7.7651222683,-2.9959277166,0.1689100114,0.1689100114,GGA,Cm,A2BC3_mC12_8_2a_a_3a:Ce-Li-O,6.0,A2BC3_mC12_8_2a_a_3a:Ce-Li-O +mp-1236294,LiCe2O3,-7.8163950867,-3.0472005349,0.117637193,0.117637193,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Ce-Li-O,6.0,A2BC3_hP6_164_d_a_bd:Ce-Li-O +mp-1040143,LiCeMg30O32,-6.3649322255000005,-3.0189251586,0.0398537217,0.0398537217,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ce-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ce-Li-Mg-O, expected LiCeMg110O72 to be LiCeMg30O32" +mp-1040156,LiCeMg30O32,-6.3636888839,-3.017681817,0.0410970633,0.0410970633,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ce-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ce-Li-Mg-O, expected LiCeMg90O80 to be LiCeMg30O32" +mp-1219172,Sm2SbS,-6.10315786,-1.6775020158,0.093139205,0.093139205,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:S-Sb-Sm,4.0,ABC2_tP4_123_a_d_bc:S-Sb-Sm +mp-1103612,SmSbS,-5.9759218692000005,-1.6479094552,0.0,-0.0151761329,GGA,Pnma,ABC_oP12_62_c_c_c:S-Sb-Sm,12.0,ABC_oP12_62_c_c_c:S-Sb-Sm +mp-1204566,Sm3Sb4S9,-5.4611415142,-1.2174032538,0.1505982738,0.1505982738,GGA,Pnma,A9B4C3_oP64_62_9c_4c_3c:S-Sb-Sm,64.0,A9B4C3_oP64_62_9c_4c_3c:S-Sb-Sm +mp-1104219,Sm(GaS2)2,-5.2000795164,-1.2971398525,0.1507789237,0.1507789237,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-S-Sm,14.0,A2B4C_oC28_66_l_kl_a:Ga-S-Sm +mp-1219403,Sm9Ga5S21,-5.988604887,-1.8607991004,0.0054207961,0.0054207961,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Ga-S-Sm,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Ga-S-Sm, expected Sm24Ga5S51 to be Sm9Ga5S21" +mp-1199065,Sm4GaSbS9,-6.0577705662,-1.8404711925,0.0,-0.0097083766,GGA,Aea2,AB9CD4_oC120_41_b_2a8b_b_4b:Ga-S-Sb-Sm,60.0,AB9CD4_oC120_41_b_2a8b_b_4b:Ga-S-Sb-Sm +mp-10393,SmGaSb2,-4.7358063988,-0.7346352394,0.0252308263,0.0252308263,GGA,C222_1,AB2C_oC16_20_b_2a_a:Ga-Sb-Sm,8.0,AB2C_oC16_20_b_2a_a:Ga-Sb-Sm +mp-1219004,SmGaSb2,-4.4765688,-0.4753976406,0.284468425,0.284468425,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ga-Sb-Sm,4.0,AB2C_tP4_123_a_bc_d:Ga-Sb-Sm +mp-1185692,MgBeO3,-5.849290492,-1.8133386822,0.6496742172000001,0.6496742172000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Mg-O,5.0,ABC3_cP5_221_b_a_c:Be-Mg-O +mp-2232116,MgBe2(CoO2)4,-6.815089408,-1.676030298,0.3619611048,0.3619611048,GGA+U,Imm2,A2B4CD8_oI30_44_ab_cd_a_2c2d:Be-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_ab_cd_a_4c4d:Be-Co-Mg-O, expected MgBe2(CoO4)4 to be MgBe2(CoO2)4" +mp-2232157,MgBe2(CoO2)4,-6.8646165747,-1.7255574647,0.3124339381,0.3124339381,GGA+U,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Be-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_ad_b_2c2h:Be-Co-Mg-O, expected MgBe2(CoO4)4 to be MgBe2(CoO2)4" +mp-2232207,MgBe2(CoO2)4,-6.3985953467,-1.2595362367,0.7784551661,0.7784551661,GGA+U,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Be-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_cF60_216_ac_e_b_5e:Be-Co-Mg-O, expected MgBe2(CoO5)4 to be MgBe2(CoO2)4" +mp-757006,Be(CoO2)2,-7.1069620568,-1.7151330139,0.0827833339,0.0542714725,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Be-Co-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Be-Co-O, expected BeCo5O13 to be Be(CoO2)2" +mp-770957,Be(CoO2)2,-7.1897453907,-1.7979163479,0.0,-0.0285118614,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Be-Co-O,14.0,AB2C4_cF56_227_a_d_e:Be-Co-O +mp-559885,Cr2AgBiO8,-6.9590473742,-1.4963265606,0.0105337701,0.0105337701,GGA+U,I-4,ABC2D8_tI24_82_a_c_bd_2g:Ag-Bi-Cr-O,12.0,"Invalid WP multiplicities - ABC2D8_tI24_82_a_c_bd_6g:Ag-Bi-Cr-O, expected Cr2AgBiO24 to be Cr2AgBiO8" +mp-23565,Cr4AgBiO14,-7.26608066,-1.5391368115,0.0,-0.0128653388,GGA+U,I4,ABC4D14_tI40_79_a_a_c_b3c:Ag-Bi-Cr-O,20.0,ABC4D14_tI40_79_a_a_c_b3c:Ag-Bi-Cr-O +mp-1031728,HfMg6CoO8,-6.8674575738,-2.7274140228,0.3169898086,0.3169898086,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Hf-Mg-O, expected HfMg6CoO12 to be HfMg6CoO8" +mp-1031738,HfMg6CoO8,-6.8394193825,-2.6993758316000003,0.3450279998,0.3450279998,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-Hf-Mg-O, expected HfMg6CoO12 to be HfMg6CoO8" +mp-1022043,HfMg6Co,-3.151400665,0.1819977256,0.294482581,0.294482581,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Hf-Mg, expected HfMg12Co to be HfMg6Co" +mp-1022052,HfMg6Co,-3.19987945,0.1335189406,0.246003796,0.246003796,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Hf-Mg, expected HfMg12Co to be HfMg6Co" +mp-1036857,HfMg30CoO32,-6.4529620691,-2.9628378959,0.0887932865,0.0887932865,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-Hf-Mg-O, expected HfMg90CoO80 to be HfMg30CoO32" +mp-1036860,HfMg30CoO32,-6.4540848444,-2.9639606712,0.0876705112,0.0876705112,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-Hf-Mg-O, expected HfMg110CoO72 to be HfMg30CoO32" +mp-1097072,HfMgCo2,-3.915748465,2.5277777025,2.8078891752,2.8078891752,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Hf-Mg,4.0,A2BC_oI8_71_e_a_b:Co-Hf-Mg +mp-1034829,HfMg14CoO16,-6.5824622897000005,-2.8756983239,0.1735237415,0.1735237415,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-Hf-Mg-O, expected HfMg18CoO20 to be HfMg14CoO16" +mp-1034822,HfMg14CoO16,-6.578183135,-2.8714191692,0.1778028962,0.1778028962,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-Hf-Mg-O, expected HfMg30CoO32 to be HfMg14CoO16" +mp-1028390,HfMg14Co,-2.3809381756,0.0859010447,0.1502785068,0.1502785068,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Hf-Mg, expected HfMg18Co to be HfMg14Co" +mp-1028386,HfMg14Co,-2.3518543606,0.1149848597,0.1793623218,0.1793623218,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Hf-Mg, expected HfMg26Co to be HfMg14Co" +mp-753534,HfCoO3,-9.212655324,-2.8315407322,0.094861512,0.094861512,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Co-Hf-O,20.0,ABC3_oP20_62_c_a_cd:Co-Hf-O +mp-1112227,K2NdCuCl6,-4.300312755,-2.0823755593,0.0946617408,0.0946617408,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Nd,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Nd +mp-1211444,Li(ClO2)2,-4.2323254564,-0.6047895948,0.284449955,0.284449955,GGA,P4_2/mmc,A2BC4_tP14_131_i_c_o:Cl-Li-O,14.0,A2BC4_tP14_131_i_c_o:Cl-Li-O +mp-1106359,Li5Cl3O,-4.195258355,-1.9689346856,0.1430221744,0.1430221744,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Cl-Li-O,18.0,A3B5C_tI36_140_ah_cl_b:Cl-Li-O +mp-30301,LiClO4,-4.9328997896,-1.008864061,0.0,-0.2318140987,GGA,Pnma,ABC4_oP24_62_c_a_2cd:Cl-Li-O,24.0,ABC4_oP24_62_c_a_2cd:Cl-Li-O +mp-31367,LiClO2,-4.5119896931,-1.0992804558,0.1915986609,0.1915986609,GGA,P4_2/ncm,ABC2_tP16_138_e_b_i:Cl-Li-O,16.0,ABC2_tP16_138_e_b_i:Cl-Li-O +mp-1246806,Li17Cl5O6,-4.5671087329,-2.0180192935,0.0707535298,0.0707535298,GGA,Pm,A5B17C6_mP28_6_5a_6a11b_6b:Cl-Li-O,28.0,A5B17C6_mP28_6_5a_6a11b_6b:Cl-Li-O +mp-1180532,LiClO7,-4.2225481156,0.0423719406,0.7149479813,0.7149479813,GGA,P6_3mc,ABC7_hP18_186_b_a_b2c:Cl-Li-O,18.0,ABC7_hP18_186_b_a_b2c:Cl-Li-O +mp-1208200,Tm(ClO2)3,-4.724036728,-0.7538789609000001,0.5743133389,0.5743133389,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Tm,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Tm +mp-1235791,LiTm2(ClO)2,-6.0463675743,-2.5533612235,0.5681617555,0.5681617555,GGA,P4mm,A2BC2D2_tP7_99_ab_a_c_ab:Cl-Li-O-Tm,7.0,A2BC2D2_tP7_99_ab_a_c_ab:Cl-Li-O-Tm +mp-1236076,LiTm2(ClO)2,-6.2182223671,-2.7252160163,0.3963069627,0.3963069627,GGA,P-4m2,A2BC2D2_tP7_115_g_c_ab_g:Cl-Li-O-Tm,7.0,A2BC2D2_tP7_115_g_c_ab_g:Cl-Li-O-Tm +mp-1185236,LiTmO3,-6.471009634,-2.2260447493,0.4889175465,0.4889175465,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Tm,5.0,AB3C_cP5_221_b_c_a:Li-O-Tm +mp-985585,Li3ClO,-4.568813878,-2.0644150838,0.027567837,0.027567837,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cl-Li-O,5.0,AB3C_cP5_221_a_c_b:Cl-Li-O +mp-772186,Tm(ClO4)3,-5.3184624791,-0.9821056079,0.0,-0.0863527402,GGA,R3c,A3B12C_hR96_161_b_4b_a:Cl-O-Tm,32.0,"Invalid WP multiplicities - A3B12C_hR96_161_b_20b_a:Cl-O-Tm, expected Tm(ClO20)3 to be Tm(ClO4)3" +mp-778001,Tm(ClO4)3,-5.2977736831,-0.961416812,0.0206887959,-0.0656639443,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Tm,32.0,"Invalid WP multiplicities - A3B12C_hP32_176_h_11h6i_c:Cl-O-Tm, expected Tm(ClO23)3 to be Tm(ClO4)3" +mp-1176564,LiTmO2,-7.419338705,-3.3498047769,0.0015685725,-0.0181073334,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Li-O-Tm,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_3e_e:Li-O-Tm, expected LiTmO3 to be LiTmO2" +mp-754237,LiTmO2,-7.4209072775,-3.3513733494,0.0,-0.0196759059,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Tm,8.0,AB2C_tI16_141_a_e_b:Li-O-Tm +mp-777047,LiTmO2,-7.3506122175,-3.2810782894,0.07029506,0.0506191541,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-O-Tm,4.0,AB2C_hR12_166_a_c_b:Li-O-Tm +mp-754113,TmClO,-7.3067631317,-3.5497428668,0.0350263933,-0.0729787492,GGA,Pmmn,ABC_oP6_59_a_a_b:Cl-O-Tm,6.0,ABC_oP6_59_a_a_b:Cl-O-Tm +mp-772222,TmClO,-7.2717983617,-3.5147780968,0.0699911633,-0.0380139792,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Tm,6.0,ABC_tP6_129_c_a_c:Cl-O-Tm +mp-772295,TmClO,-7.341789525,-3.5847692601,0.0,-0.1080051425,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-O-Tm,6.0,ABC_hR18_166_c_c_c:Cl-O-Tm +mp-1112637,Cs2TlCuF6,-4.352812316,-2.3806594794,0.0427765415,0.0427765415,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Tl,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Tl +mp-1228857,CsTlCuF6,-4.3566184739,-2.2648266968,0.0096398694,0.0096398694,GGA,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Tl,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Tl, expected CsTlCuF12 to be CsTlCuF6" +mp-17568,Ag3Sn2(GeP2)3,-4.5319651893,-0.0415573089,0.0,-0.0044519013,GGA,I-43m,A3B3C6D2_cI56_217_e_d_g_c:Ag-Ge-P-Sn,28.0,A3B3C6D2_cI56_217_e_d_g_c:Ag-Ge-P-Sn +mp-17862,Ag3Ge5P6,-4.6066529736,-0.0286085218,0.0,-0.0148551271,GGA,I-43m,A3B5C6_cI56_217_e_cd_g:Ag-Ge-P,28.0,"Invalid WP multiplicities - A3B5C6_cI56_217_e_c2d_g:Ag-Ge-P, expected Ag3(Ge4P3)2 to be Ag3Ge5P6" +mp-1205636,Ba2DyPaO6,-8.510681374,-3.7467280093,0.0,-0.102629574,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Pa +mp-1225510,DyPaO4,-9.8420125467,-4.1906448225,0.0,-0.4814895775,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Dy-O-Pa,6.0,AB4C_tP6_123_a_i_d:Dy-O-Pa +mp-1183790,DyPaO3,-8.622724074,-2.8304205473,0.989808113,0.989808113,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Dy-O-Pa,5.0,AB3C_cP5_221_b_c_a:Dy-O-Pa +mp-1093965,Na2TlAs,-1.536706005,0.8799970296,1.1837296428,1.1837296428,GGA,Immm,AB2C_oI8_71_a_e_b:As-Na-Tl,4.0,AB2C_oI8_71_a_e_b:As-Na-Tl +mp-1238924,Tl3AsF6,-4.404716287,-2.083124122,0.0877714755,0.0877714755,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:As-F-Tl,10.0,AB6C3_aP10_2_a_3i_bcd:As-F-Tl +mp-1208210,Tl3AsF6,-4.415925579,-2.094333414,0.0765621835,0.0765621835,GGA,C2/m,AB6C3_mC20_12_a_ij_ce:As-F-Tl,10.0,AB6C3_aP10_2_a_3i_bcd:As-F-Tl +mp-555911,TlAsF6,-4.7840489162,-2.4727194967,0.0,-0.1840858056,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-Tl,8.0,AB6C_hR24_148_a_f_b:As-F-Tl +mp-1111404,Na2TlAsF6,-4.451659787,-2.3380911926,0.22148646,0.22148646,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-Na-Tl +mp-698587,TiNiO3,-8.280607195,-2.5774682289,0.020012814,0.0115120999999999,GGA+U,P1,AB3C_aP50_1_10a_30a_10a:Ni-O-Ti,50.0,AB3C_aP50_1_10a_30a_10a:Ni-O-Ti +mp-690546,TiNiO3,-8.2822123107,-2.5790733446000003,0.0184076983,0.0099069843,GGA+U,P1,AB3C_aP30_1_6a_18a_6a:Ni-O-Ti,30.0,AB3C_aP30_1_6a_18a_6a:Ni-O-Ti +mp-675030,TiNiO3,-8.2803009785,-2.5771620124,0.0203190305,0.0118183165,GGA+U,P1,AB3C_aP40_1_8a_24a_8a:Ni-O-Ti,40.0,AB3C_aP40_1_8a_24a_8a:Ni-O-Ti +mp-531689,TiNiO3,-8.2846798998,-2.5815409337,0.0159401092,0.0074393952,GGA+U,P1,AB3C_aP60_1_12a_36a_12a:Ni-O-Ti,60.0,AB3C_aP60_1_12a_36a_12a:Ni-O-Ti +mp-18732,TiNiO3,-8.300620009,-2.5974810429,0.0,-0.008500714,GGA+U,R-3,AB3C_hR30_148_c_f_c:Ni-O-Ti,20.0,AB3C_hR30_148_c_f_c:Ni-O-Ti +mp-850194,TiNiO3,-8.286667864,-2.5835288979,0.013952145,0.005451431,GGA+U,R3c,AB3C_hR30_161_a_b_a:Ni-O-Ti,10.0,AB3C_hR30_161_a_b_a:Ni-O-Ti +mp-21602,Zr4Ni2O,-7.8149497193,-0.5724119205,0.5448744266000001,0.5448744266000001,GGA+U,Fd-3m,A2BC4_cF112_227_e_c_df:Ni-O-Zr,28.0,"Invalid WP multiplicities - A2BC4_cF112_227_e_c_d2f:Ni-O-Zr, expected Zr7Ni2O to be Zr4Ni2O" +mp-1215809,Zr12Ti4Ni8O,-7.1842212592,0.2294650519,0.7853147651,0.7853147651,GGA+U,R-3m,A8BC4D12_hR75_166_ch_b_ad_2h:Ni-O-Ti-Zr,25.0,"Invalid WP multiplicities - A8BC4D12_hR75_166_2c2h_b_ad_4h:Ni-O-Ti-Zr, expected Zr24Ti4Ni16O to be Zr12Ti4Ni8O" +mp-1215337,ZrTiNi,-7.6496180275,-0.2418415853,0.0619808881,0.0619808881,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ni-Ti-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ni-Ti-Zr, expected Zr3(TiNi)2 to be ZrTiNi" +mp-757504,ZrTi2O6,-9.5614513719,-3.5593606019,0.0471188819,0.0471188819,GGA,P1,A6B2C_aP36_1_24a_8a_4a:O-Ti-Zr,36.0,A6B2C_aP36_1_24a_8a_4a:O-Ti-Zr +mp-33738,TiNiO6,-6.4694216825,-1.049951562,0.5769540582,0.5769540582,GGA+U,R3,AB6C_hR24_146_a_2b_a:Ni-O-Ti,8.0,AB6C_hR24_146_a_2b_a:Ni-O-Ti +mp-504735,Ti3Ni3O,-6.7276374496,-0.1599839066,0.9884646457,0.9884646457,GGA+U,Fd-3m,A3BC3_cF112_227_ce_d_f:Ni-O-Ti,28.0,A3BC3_cF112_227_ce_d_f:Ni-O-Ti +mp-766093,Ti4(Ni5O8)3,-7.3639808256,-1.8522471666,0.0,-0.0201191743,GGA+U,P-3m1,A15B24C4_hP43_164_adefi_c2d3i_cd:Ni-O-Ti,43.0,"Invalid WP multiplicities - A15B24C4_hP43_164_a2d3e2f6i_2c4d13i_c2d:Ni-O-Ti, expected Ti3Ni28O45 to be Ti4(Ni5O8)3" +mp-1217223,Ti4Ni2O,-7.2171204561,-0.3472732935,0.7514951925000001,0.7514951925000001,GGA+U,F-43m,A2BC4_cF112_216_2e_e_efg:Ni-O-Ti,28.0,A2BC4_cF112_216_2e_e_efg:Ni-O-Ti +mp-540679,Ti4Ni2O,-7.4229881457,-0.5531409832,0.5456275029000001,0.5456275029000001,GGA+U,Fd-3m,A2BC4_cF112_227_e_c_df:Ni-O-Ti,28.0,A2BC4_cF112_227_e_c_df:Ni-O-Ti +mp-1183045,ZrTiO3,-8.98683964,-2.7301878839,0.7219286570000001,0.7219286570000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ti-Zr,5.0,A3BC_cP5_221_c_b_a:O-Ti-Zr +mp-753891,ZrTiO4,-9.6531683983,-3.6148438164,0.0436322842,0.0436322842,GGA,P1,A4BC_aP24_1_16a_4a_4a:O-Ti-Zr,24.0,A4BC_aP24_1_16a_4a_4a:O-Ti-Zr +mp-1215197,ZrTiO4,-9.6330966483,-3.5947720664,0.0637040342,0.0637040342,GGA,P2_12_12,A4BC_oP12_18_2c_a_b:O-Ti-Zr,12.0,A4BC_oP12_18_2c_a_b:O-Ti-Zr +mp-1188025,ZrNiO3,-7.600537864,-1.7669571753,1.009210974,1.009210974,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Zr,5.0,AB3C_cP5_221_b_c_a:Ni-O-Zr +mp-1206021,ZrNi4O,-5.01502948,1.0874598635,2.2013161254,2.2013161254,GGA+U,F-43m,A4BC_cF24_216_e_a_c:Ni-O-Zr,6.0,A4BC_cF24_216_e_a_c:Ni-O-Zr +mp-752953,ZrTi2O,-8.7982093075,-1.4768659639,0.1198276125,0.0851484517,GGA,Cmmm,AB2C_oC16_65_e_n_ad:O-Ti-Zr,8.0,AB2C_oC16_65_e_n_ad:O-Ti-Zr +mp-1215204,ZrTi2O,-8.91803692,-1.5966935764,0.0,-0.0346791608,GGA,Cmmm,AB2C_oC8_65_a_h_b:O-Ti-Zr,4.0,AB2C_oC8_65_a_h_b:O-Ti-Zr +mp-27296,ZrTi2O,-8.56317141,-1.2418280664,0.35486551,0.3201863492,GGA,P6/mmm,AB2C_hP8_191_c_h_ab:O-Ti-Zr,8.0,AB2C_hP8_191_c_h_ab:O-Ti-Zr +mp-18927,Zr3NiO,-8.251915777,-0.9779303208,0.4039770812,0.4039770812,GGA+U,Cmcm,ABC3_oC20_63_c_a_cf:Ni-O-Zr,10.0,ABC3_oC20_63_c_a_cf:Ni-O-Zr +mp-1215191,ZrTiNi2,-7.38748747,-0.3866209683,0.0391734,0.0391734,GGA,Amm2,A2BC_oC8_38_ab_a_b:Ni-Ti-Zr,4.0,A2BC_oC8_38_ab_a_b:Ni-Ti-Zr +mp-1215349,Zr6Ni2O,-7.9296318489,-0.3970578654,0.4988286928,0.4988286928,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Ni-O-Zr,9.0,A2BC6_mC18_12_i_a_3i:Ni-O-Zr +mp-1215266,ZrTi2Ni9,-6.8194899808,-0.4561637489,0.0185181875,0.0185181875,GGA,R3m,A9B2C_hR36_160_3b_2a_a:Ni-Ti-Zr,12.0,A9B2C_hR36_160_3b_2a_a:Ni-Ti-Zr +mp-1095547,ZrTi2Ni9,-6.8169328475,-0.4536066156,0.0210753208,0.0210753208,GGA,R-3m,A9B2C_hR36_166_dh_c_b:Ni-Ti-Zr,12.0,A9B2C_hR36_166_dh_c_b:Ni-Ti-Zr +mp-1207388,Zr3TiO8,-9.7970101192,-3.7043348194,0.0321362062,0.0321362062,GGA,I-42m,A8BC3_tI24_121_2i_a_bd:O-Ti-Zr,12.0,A8BC3_tI24_121_2i_a_bd:O-Ti-Zr +mp-860957,Zr5Ti7O24,-9.6128839642,-3.5926762881,0.039801504,0.039801504,GGA,P2,A24B7C5_mP36_3_12e_a3e_bcde:O-Ti-Zr,36.0,"Invalid WP multiplicities - A24B7C5_mP36_3_24e_a3e_bcde:O-Ti-Zr, expected Zr5Ti7O48 to be Zr5Ti7O24" +mp-761840,Zr5Ti7O24,-9.6227471664,-3.6025394904,0.0299383018,0.0299383018,GGA,Pc,A24B7C5_mP72_7_24a_7a_5a:O-Ti-Zr,72.0,"Invalid WP multiplicities - A24B7C5_mP72_7_47a_13a_9a:O-Ti-Zr, expected Zr9Ti13O47 to be Zr5Ti7O24" +mp-1197072,Ta6Br12ClO15,-5.6589697012,-0.7815616697000001,1.3028248876,1.3028248876,GGA,P-1,A12BC15D6_aP68_2_12i_i_15i_6i:Br-Cl-O-Ta,68.0,A12BC15D6_aP68_2_12i_i_15i_6i:Br-Cl-O-Ta +mp-558763,Ag2Hg(SeO3)2,-4.793630202,-0.9171986025,0.0,-0.0140614761,GGA,Pbca,A2BC6D2_oP88_61_2c_c_6c_2c:Ag-Hg-O-Se,88.0,"Invalid WP multiplicities - A2BC6D2_oP88_61_10c_c_38c_12c:Ag-Hg-O-Se, expected Ag10Hg(Se6O19)2 to be Ag2Hg(SeO3)2" +mp-663172,Ag2SeO4,-4.963635365,-0.8282384608000001,0.0155670986,-0.0785205436,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Ag-O-Se,14.0,"Invalid WP multiplicities - A2B4C_mC28_15_f_6f_e:Ag-O-Se, expected Ag2SeO12 to be Ag2SeO4" +mp-11641,Ag2SeO4,-4.9792024636,-0.8438055594,0.0,-0.0940876421,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ag-O-Se,14.0,A2B4C_oF56_70_e_h_a:Ag-O-Se +mp-1215036,Ag2SeO2,-3.915141441,-0.1042612596,0.5887338023,0.5887338023,GGA,Fddd,A2B2C_oF80_70_h_h_c:Ag-O-Se,20.0,A2B2C_oF80_70_h_h_c:Ag-O-Se +mp-643070,Ca4Mg3H14,-3.3835642138,-0.51111639,0.002194574,0.002194574,GGA,P-62m,A4B14C3_hP21_189_de_cfgi_f:Ca-H-Mg,21.0,A4B14C3_hP21_189_de_cfgi_f:Ca-H-Mg +mp-1023293,CaMg6Fe,-2.3224226825,0.1872399913,0.2393649241,0.2393649241,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Fe-Mg, expected CaMg12Fe to be CaMg6Fe" +mp-1023313,CaMg6Fe,-2.3171743044,0.1924883694,0.2446133022,0.2446133022,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Fe-Mg, expected CaMg12Fe to be CaMg6Fe" +mp-734733,Ca19(Mg4H27)2,-3.4543017086,-0.5639826401,0.0,-0.0024406916,GGA,Im-3,A19B54C8_cI162_204_adg_e2gh_f:Ca-H-Mg,81.0,A19B54C8_cI162_204_adg_e2gh_f:Ca-H-Mg +mp-1028200,CaMg14Fe,-1.964042125,0.0909292369,0.1293158505,0.1293158505,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Fe-Mg, expected CaMg18Fe to be CaMg14Fe" +mp-1028193,CaMg14Fe,-1.916973905,0.1379974569,0.1763840705,0.1763840705,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Fe-Mg, expected CaMg26Fe to be CaMg14Fe" +mp-1102584,Ca4Mg4Fe3,-3.2426529782,0.3785818718,0.4364739236,0.4364739236,GGA,P-43m,A4B3C4_cP11_215_e_c_e:Ca-Fe-Mg,11.0,A4B3C4_cP11_215_e_c_e:Ca-Fe-Mg +mp-1205964,Ca2FeH6,-4.30117527,-0.6525555767,0.0,-0.1879929483,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Ca-Fe-H,9.0,A2BC6_cF36_225_c_a_e:Ca-Fe-H +mp-644264,Ca4Mg4Fe3H22,-3.9992177685,-0.5303221218,0.0,-0.0087557623,GGA,P-43m,A4B3C22D4_cP33_215_e_c_egh_e:Ca-Fe-H-Mg,33.0,A4B3C22D4_cP33_215_e_c_egh_e:Ca-Fe-H-Mg +mp-861324,GaFeO3,-2.575484098,2.6921525752,4.6809599625,4.6809599625,GGA+U,P1,ABC3_aP40_1_8a_8a_24a:Fe-Ga-O,40.0,ABC3_aP40_1_8a_8a_24a:Fe-Ga-O +mp-868005,GaFeO3,-7.2197755185,-1.9521388453,0.036668542,0.036668542,GGA+U,P1,ABC3_aP40_1_8a_8a_24a:Fe-Ga-O,40.0,ABC3_aP40_1_8a_8a_24a:Fe-Ga-O +mp-649086,GaFeO3,-7.2206548538,-1.9530181805,0.0357892067,0.0357892067,GGA+U,Pna2_1,ABC3_oP40_33_2a_2a_6a:Fe-Ga-O,40.0,"Invalid WP multiplicities - ABC3_oP40_33_4a_6a_20a:Fe-Ga-O, expected Ga3(FeO5)2 to be GaFeO3" +mp-1184032,GaFeO3,-6.315184128,-1.0475474547,0.9412599325,0.9412599325,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Fe-Ga-O,5.0,ABC3_cP5_221_a_b_c:Fe-Ga-O +mp-1184033,GaFeO3,-6.285739848,-1.0181031748,0.9707042125,0.9707042125,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Fe-Ga-O,5.0,ABC3_cP5_221_b_a_c:Fe-Ga-O +mp-758262,Ga13Fe11O32,-7.1622114516,-1.9688271594,0.0175909435,0.0175909435,GGA+U,C2/m,A11B13C32_mC112_12_ai2j_d6i_8i4j:Fe-Ga-O,56.0,"Invalid WP multiplicities - A11B13C32_mC112_12_a2i5j_c10i_16i14j:Fe-Ga-O, expected Ga21Fe25O88 to be Ga13Fe11O32" +mp-1225246,Ga(FeO2)2,-7.4768125829,-1.7975421132,0.0579178952,0.0579178952,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Ga-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2h2i:Fe-Ga-O, expected Ga(FeO4)2 to be Ga(FeO2)2" +mp-1221831,MnGaFeO4,-7.7766792786,-1.9985525115,0.0133345668,0.0133345668,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Fe-Ga-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Fe-Ga-Mn-O, expected MnGaFeO8 to be MnGaFeO4" +mp-767269,Ga7(Fe3O8)3,-7.317388702,-1.9137038991,0.0399844059,0.0399844059,GGA+U,P1,A9B7C24_aP40_1_9a_7a_24a:Fe-Ga-O,40.0,A9B7C24_aP40_1_9a_7a_24a:Fe-Ga-O +mp-690544,Ga2FeO4,-6.9668455454,-2.0649929596,0.0,-0.0202627746,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Fe-Ga-O,28.0,AB2C4_oI28_74_a_ce_hi:Fe-Ga-O +mp-1222828,LaNb2AgO7,-8.5864551991,-2.8957284566,0.0647217727,0.0647217727,GGA,I-4m2,ABC2D7_tI22_119_c_a_e_be2f:Ag-La-Nb-O,11.0,"Invalid WP multiplicities - ABC2D7_tI22_119_c_a_e_be3f:Ag-La-Nb-O, expected LaNb2AgO9 to be LaNb2AgO7" +mp-1178119,LaNb2AgO7,-8.5861432439,-2.8954165014,0.0650337279,0.0650337279,GGA,I4_1/acd,ABC2D7_tI176_142_f_c_g_2de2g:Ag-La-Nb-O,88.0,"Invalid WP multiplicities - ABC2D7_tI176_142_f_c_g_10d6e15g:Ag-La-Nb-O, expected LaNb2AgO46 to be LaNb2AgO7" +mp-867968,NaHo4Ge2O11,-7.7612141946,-3.1327812886,0.0472729259,0.0472729259,GGA,Pnma,A2B4CD11_oP72_62_d_2d_c_c5d:Ge-Ho-Na-O,72.0,A2B4CD11_oP72_62_d_2d_c_c5d:Ge-Ho-Na-O +mp-18334,NaHoGeO4,-7.2144829271,-2.8838090895,0.0,-0.0403568683,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Ge-Ho-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Ge-Ho-Na-O +mp-29596,Ca3AlN3,-6.1323345139,-1.1649259075,0.0,-0.0009028333,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-Ca-N,28.0,AB3C3_mP28_14_e_3e_3e:Al-Ca-N +mp-13944,Li3AlN2,-5.3251873763,-0.9676316629,0.0,-0.1349709837,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Al-Li-N,48.0,"Invalid WP multiplicities - AB3C2_cI96_206_c_e_2a2d:Al-Li-N, expected Li3AlN4 to be Li3AlN2" +mp-1020031,LiCaAlN2,-6.0490041125,-1.1823864272,0.0,-0.0200437173,GGA,P2_1/c,ABCD2_mP20_14_e_e_e_2e:Al-Ca-Li-N,20.0,ABCD2_mP20_14_e_e_e_2e:Al-Ca-Li-N +mp-862632,LiCa2Al,-2.5596817425,-0.1432571283,0.0,-0.006185262,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ca-Li,4.0,AB2C_cF16_225_a_c_b:Al-Ca-Li +mp-1079781,LiCaAl3,-2.828928278,0.2013217693,0.4720190999999999,0.4720190999999999,GGA,P6_3/m,A3BC_hP10_176_h_c_a:Al-Ca-Li,10.0,A3BC_hP10_176_h_c_a:Al-Ca-Li +mp-1096622,Li2CaAl,-0.9794433,1.4128120608,1.5455344383,1.5455344383,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Ca-Li,4.0,ABC2_oI8_71_a_b_e:Al-Ca-Li +mp-1185028,Li2CaAl,-2.5054125225,-0.1131571617,0.0195652158,0.0195652158,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ca-Li,4.0,ABC2_cF16_225_a_b_c:Al-Ca-Li +mp-1029921,Ca3Al3N5,-6.7068327805,-1.3490144391,0.0,-0.003728559,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Al-Ca-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Al-Ca-N +mp-570505,Ca3(AlN2)2,-6.4966196717,-1.2906273383,0.0015227363,-0.0132028838,GGA,P2_1/c,A2B3C4_mP36_14_2e_3e_4e:Al-Ca-N,36.0,"Invalid WP multiplicities - A2B3C4_mP36_14_8e_10e_12e:Al-Ca-N, expected Ca5(Al2N3)2 to be Ca3(AlN2)2" +mp-570258,Ca3(AlN2)2,-6.4863559522,-1.2803636189,0.0117864557,-0.0029391643,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Al-Ca-N,18.0,"Invalid WP multiplicities - A2B3C4_mC36_15_f_e2f_8f:Al-Ca-N, expected Ca5(AlN8)2 to be Ca3(AlN2)2" +mp-29820,Ca3(AlN2)2,-6.4981424079,-1.2921500746,0.0,-0.01472562,GGA,P2_12_12_1,A2B3C4_oP72_19_4a_6a_8a:Al-Ca-N,72.0,A2B3C4_oP72_19_4a_6a_8a:Al-Ca-N +mp-1020107,LiCaAl3N4,-6.7368167692,-1.3482356651,0.01282213,0.01282213,GGA,I4_1/a,A3BCD4_tI144_88_3f_f_f_4f:Al-Ca-Li-N,72.0,A3BCD4_tI144_88_3f_f_f_4f:Al-Ca-Li-N +mp-1233556,MgIn4(Ge2O7)2,-6.2103190591,-1.8471552179,0.2682104868,0.2682104868,GGA,F-43m,A4B4CD14_cF92_216_e_e_a_bcfg:Ge-In-Mg-O,23.0,A4B4CD14_cF92_216_e_e_a_bcfg:Ge-In-Mg-O +mp-1185889,MgInO3,-5.259050988,-1.4206450053,0.7998844991,0.7998844991,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-Mg-O,5.0,ABC3_cP5_221_a_b_c:In-Mg-O +mp-685982,MgIn2O4,-6.1170087589,-2.2755227081,0.0240793554,0.0240793554,GGA,Cm,A2BC4_mC140_8_10a5b_10a_20a10b:In-Mg-O,70.0,"Invalid WP multiplicities - A2BC4_mC140_8_10a8b_10a_20a19b:In-Mg-O, expected Mg5In13O29 to be MgIn2O4" +mp-676338,MgIn2O4,-6.119672975,-2.2781869243,0.0214151393,0.0214151393,GGA,Imma,A2BC4_oI28_74_ae_c_hi:In-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2hi:In-Mg-O, expected MgIn2O6 to be MgIn2O4" +mp-7831,MgIn2O4,-6.1140660321,-2.2725799814,0.0270220821,0.0270220821,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:In-Mg-O,14.0,A2BC4_cF56_227_c_b_e:In-Mg-O +mp-1111337,Na2AlAgF6,-4.970238293,-2.9010326705,0.1284241266,0.1284241266,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Na +mp-28888,Cu(PtS2)2,-5.295265095,-0.6113689839,0.0,-0.0025249131,GGA,P2/m,AB2C4_mP14_10_n_cdi_mno:Cu-Pt-S,14.0,AB2C4_mP14_10_n_acj_mno:Cu-Pt-S +mp-865018,CuBiPtS3,-5.0302269012,-0.6268637811000001,0.0,-0.0476791321,GGA,P2_12_12_1,ABCD3_oP24_19_a_a_a_3a:Bi-Cu-Pt-S,24.0,ABCD3_oP24_19_a_a_a_3a:Bi-Cu-Pt-S +mp-1147671,CuSCl,-3.969311855,-0.6079141227,0.06682791,0.06682791,GGA,P2_1/m,ABC_mP36_11_2e2f_2e2f_3f:Cl-Cu-S,36.0,"Invalid WP multiplicities - ABC_mP36_11_3e5f_2e2f_7f:Cl-Cu-S, expected Cu6S14Cl13 to be CuSCl" +mp-1224250,Hg3(SCl)2,-2.4703899057,-0.6302450273,0.0763146843,0.0191417296,GGA,Pmc2_1,A2B3C2_oP14_26_2a_a2b_2b:Cl-Hg-S,14.0,"Invalid WP multiplicities - A2B3C2_oP14_26_2a_a2b_3b:Cl-Hg-S, expected Hg3S3Cl2 to be Hg3(SCl)2" +mp-23418,Hg3(SCl)2,-2.54670459,-0.7065597116,0.0,-0.0571729546,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Cl-Hg-S,14.0,A2B3C2_cI28_199_a_b_a:Cl-Hg-S +mp-1198863,Hg3(SCl)2,-2.5411573336,-0.7010124552,0.0055472564,-0.0516256983,GGA,Pm-3n,A2B3C2_cP224_223_abcdefk_j3k_il:Cl-Hg-S,224.0,A2B3C2_cP224_223_abcdefk_j3k_il:Cl-Hg-S +mp-672253,CuHgSCl,-3.2209556044,-0.6239872139,0.023782319,0.023782319,GGA,Pmma,ABCD_oP16_51_2f_j_ae_i:Cl-Cu-Hg-S,16.0,"Invalid WP multiplicities - ABCD_oP16_51_2f_j_2a2e_i:Cl-Cu-Hg-S, expected CuHg2SCl to be CuHgSCl" +mp-23567,CuHgSCl,-3.2315647078,-0.6345963173,0.0131732155,0.0131732155,GGA,Pbam,ABCD_oP32_55_2g_2g_2h_2h:Cl-Cu-Hg-S,32.0,"Invalid WP multiplicities - ABCD_oP32_55_4g_3g_6h_3h:Cl-Cu-Hg-S, expected Cu3Hg6S3Cl4 to be CuHgSCl" +mp-1078776,InBiS3,-4.54682357,-0.7465190779,0.0033355423,0.0033355423,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Bi-In-S,10.0,ABC3_mP10_11_e_e_3e:Bi-In-S +mp-676611,Bi7(S3Cl)3,-4.3333278195,-0.6671655725,0.1700433411,0.1700433411,GGA,Pm,A7B3C9_mP19_6_3a4b_3a_3a6b:Bi-Cl-S,19.0,A7B3C9_mP19_6_3a4b_3a_3a6b:Bi-Cl-S +mp-1224757,In4Bi3S10,-4.5027553481,-0.7443611729,0.007667114,0.007667114,GGA,P1,A3B4C10_aP68_1_12a_16a_40a:Bi-In-S,68.0,A3B4C10_aP68_1_12a_16a_40a:Bi-In-S +mp-23318,BiSCl,-4.3050624167,-1.0299038644,0.0,-0.0370030106,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Cl-S,12.0,ABC_oP12_62_c_c_c:Bi-Cl-S +mp-715212,In5(BiS4)3,-4.4989901422,-0.7531259201,0.0182464906,0.0182464906,GGA,P1,A3B5C12_aP40_1_6a_10a_24a:Bi-In-S,40.0,A3B5C12_aP40_1_6a_10a_24a:Bi-In-S +mp-504646,In5(BiS4)3,-4.435594327,-0.6897301049,0.0816423058,0.0816423058,GGA,C2/m,A3B5C12_mC80_12_3i_ac4i_12i:Bi-In-S,40.0,A3B5C12_mC80_12_3i_ad4i_12i:Bi-In-S +mp-559521,InBi2S4Cl,-4.4593658612,-0.8559910966000001,0.0,-0.0011180098,GGA,C2/m,A2BCD4_mC16_12_i_a_d_2i:Bi-Cl-In-S,8.0,"Invalid WP multiplicities - A2BCD4_mC16_12_i_a_c_4i:Bi-Cl-In-S, expected InBi2S8Cl to be InBi2S4Cl" +mp-675345,Bi5(S2Cl)3,-4.3758568884,-0.8353744004,0.0637721759,0.0637721759,GGA,P1,A5B3C6_aP56_1_20a_12a_24a:Bi-Cl-S,56.0,A5B3C6_aP56_1_20a_12a_24a:Bi-Cl-S +mp-27195,In4Bi2S9,-4.506262473,-0.7785450075,0.0,-0.0007431258,GGA,P2_1/m,A2B4C9_mP30_11_2e_4e_9e:Bi-In-S,30.0,"Invalid WP multiplicities - A2B4C9_mP30_11_4e_7e_18e:Bi-In-S, expected In7(Bi2S9)2 to be In4Bi2S9" +mp-685544,Ga2CuO4,-6.1063185631,-1.8288680545,0.0619408605,0.0619408605,GGA,Cm,AB2C4_mC168_8_12a_12a6b_24a12b:Cu-Ga-O,84.0,"Invalid WP multiplicities - AB2C4_mC168_8_12a_12a6b_24a21b:Cu-Ga-O, expected Ga4Cu2O11 to be Ga2CuO4" +mp-34783,Ga2CuO4,-6.1119008207,-1.8344503121,0.0563586029,0.0563586029,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Cu-Ga-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_4h3i:Cu-Ga-O, expected Ga2CuO14 to be Ga2CuO4" +mp-753397,Ga2CuO4,-6.0925095829,-1.8150590743,0.0757498407,0.0757498407,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Ga-O,14.0,AB2C4_cF56_227_a_d_e:Cu-Ga-O +mp-1105229,GaCuO2,-5.7788147769,-1.5236447481000002,0.1520089281,0.1368038562,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cu-Ga-O,16.0,ABC2_oP16_33_a_a_2a:Cu-Ga-O +mp-4280,GaCuO2,-5.930807345,-1.6756373162,1.636e-05,-0.0151887119,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Ga-O,4.0,ABC2_hR12_166_a_b_c:Cu-Ga-O +mp-11019,GaCuO2,-5.930823705,-1.6756536762,0.0,-0.0152050719,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cu-Ga-O,8.0,ABC2_hP8_194_c_a_f:Cu-Ga-O +mp-1203611,Ga2Cu3(SeO3)6,-5.7670231422,-1.3404825311,0.0,-0.0013029629,GGA,P2_1/c,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-Ga-O-Se,58.0,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-Ga-O-Se +mp-1201552,Ga2Cu(SeO3)4,-5.8598067143,-1.4651062322,0.0,-0.0076981558,GGA,P2_1/c,AB2C12D4_mP76_14_ab_2e_12e_4e:Cu-Ga-O-Se,76.0,AB2C12D4_mP76_14_ab_2e_12e_4e:Cu-Ga-O-Se +mp-1203192,Ga2CuSe3O10,-5.8818802891,-1.5000040228,0.0116634404,0.0116634404,GGA,Pmna,AB2C10D3_oP64_53_g_gh_4h3i_3h:Cu-Ga-O-Se,64.0,AB2C10D3_oP64_53_g_gh_4h3i_3h:Cu-Ga-O-Se +mp-769334,EuSeO4,-7.7010819342,-2.1111372471,0.0,-0.1410969749,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Eu-O-Se,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Eu-O-Se, expected EuSeO15 to be EuSeO4" +mp-756216,EuSeO4,-7.6720499467,-2.0821052596,0.0290319875,-0.1120649874,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Eu-O-Se,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_f2g_c:Eu-O-Se, expected EuSeO6 to be EuSeO4" +mp-1212968,Eu2CuSe2O,-6.8691084017,-0.7771547456,1.256120865,1.256120865,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-Eu-O-Se,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-Eu-O-Se +mp-755177,EuSeO3,-7.976394935,-2.2577990527000003,0.0,-0.1007461402,GGA,P2_1/m,AB3C_mP10_11_e_ef_e:Eu-O-Se,10.0,"Invalid WP multiplicities - AB3C_mP10_11_e_2ef_e:Eu-O-Se, expected EuSeO4 to be EuSeO3" +mp-753314,Eu2SeO2,-9.544424508,-2.763766008,0.043952464,0.001438319,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Eu-O-Se,5.0,A2B2C_tI10_139_e_d_a:Eu-O-Se +mp-754655,Eu2SeO2,-9.588376972,-2.807718472,0.0,-0.042514145,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Eu-O-Se,5.0,A2B2C_hP5_164_d_d_a:Eu-O-Se +mp-1199825,Eu(SeO4)2,-6.6633419166,-1.4976751488,0.0,-0.0206548314,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Eu-O-Se,88.0,AB8C2_oP88_61_c_8c_2c:Eu-O-Se +mp-510596,EuCuSeO,-7.610229945,-1.9105277803,0.0,-0.0550878397,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Eu-O-Se,8.0,ABCD_tP8_129_a_c_b_c:Cu-Eu-O-Se +mp-1223466,La6Mg(GeS7)2,-6.2686936726,-1.9916207802,0.0,-0.02721556,GGA,P3,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-La-Mg-S,23.0,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-La-Mg-S +mp-1200193,Bi2Mo2Se2O13,-6.9915820826,-1.6931055204,0.0,-0.0016356614,GGA+U,P-1,A2B2C13D2_aP38_2_2i_2i_13i_2i:Bi-Mo-O-Se,38.0,A2B2C13D2_aP38_2_2i_2i_13i_2i:Bi-Mo-O-Se +mp-1013795,Li3Ge3(MoO6)2,-7.1301265905,-2.0977557445,0.0797659472,0.0797659472,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Li-Mo-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Li-Mo-O +mp-1280283,FeRe(PbO3)2,-7.476347842,-1.6743503617000002,0.0782409052,0.0782409052,GGA+U,I4,AB6C2D_tI20_79_a_2ac_b_a:Fe-O-Pb-Re,10.0,AB6C2D_tI20_79_a_2ac_b_a:Fe-O-Pb-Re +mp-1224899,FeRe(PbO3)2,-7.474948359,-1.6729508787,0.0796403882,0.0796403882,GGA+U,I4mm,AB6C2D_tI20_107_a_2ac_b_a:Fe-O-Pb-Re,10.0,AB6C2D_tI20_107_a_2ac_b_a:Fe-O-Pb-Re +mp-675307,Fe5Ni7S16,-6.0214847789,-0.7002611832,0.1196551498,0.1196551498,GGA,P1,A5B7C16_aP56_1_10a_14a_32a:Fe-Ni-S,56.0,A5B7C16_aP56_1_10a_14a_32a:Fe-Ni-S +mp-37276,Fe(NiS2)2,-5.92576288,-0.7006065889,0.0918864835,0.0918864835,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Fe-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_c2e_2hi:Fe-Ni-S, expected Fe(NiS2)3 to be Fe(NiS2)2" +mp-505522,Fe(NiS2)2,-5.88110316,-0.6559468689,0.1365462035,0.1365462035,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-Ni-S,14.0,AB2C4_cF56_227_a_d_e:Fe-Ni-S +mp-530925,Fe6Ni9S20,-5.9963184839,-0.6943083491,0.1201233318,0.1201233318,GGA,P1,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S,70.0,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S +mp-936907,Fe6Ni9S20,-5.079103843,0.2229062918,1.0373379727,1.0373379727,GGA,P1,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S,70.0,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S +mp-1333995,Fe6Ni9S20,-5.7606894307,-0.4586792959,0.355752385,0.355752385,GGA,P1,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S,70.0,A6B9C20_aP70_1_12a_18a_40a:Fe-Ni-S +mp-1027967,Mg14FeNi,-2.2078663844,0.0830135275,0.1314999674,0.1314999674,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Ni, expected Mg18FeNi to be Mg14FeNi" +mp-1027889,Mg14FeNi,-2.16042937,0.1304505419,0.1789369818,0.1789369818,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Ni, expected Mg26FeNi to be Mg14FeNi" +mp-1225090,FeNiS2,-6.0489313037,-0.4181668978,0.363094901,0.363094901,GGA,Imm2,ABC2_oI32_44_cd_cd_2ce:Fe-Ni-S,16.0,"Invalid WP multiplicities - ABC2_oI32_44_cd_2cd_4c2e:Fe-Ni-S, expected Fe2Ni3S8 to be FeNiS2" +mp-1224903,FeNiS2,-6.13361797,-0.5028535641,0.2784082348,0.2784082348,GGA,P-3m1,ABC2_hP4_164_a_b_d:Fe-Ni-S,4.0,ABC2_hP4_164_a_b_d:Fe-Ni-S +mp-2232257,MgFe2(NiS2)4,-5.596213048,-0.612715173,0.3107603084,0.3107603084,GGA,R-3m,A2BC4D8_hR45_166_c_b_ad_ch:Fe-Mg-Ni-S,15.0,"Invalid WP multiplicities - A2BC4D8_hR45_166_c_b_ad_2ch:Fe-Mg-Ni-S, expected MgFe2(Ni2S5)2 to be MgFe2(NiS2)4" +mp-1225604,FeNi35S32,-5.8362595432,-0.7900654146,0.0,-0.1730495624,GGA,I222,AB35C32_oI136_23_b_cef3g6k_8k:Fe-Ni-S,68.0,"Invalid WP multiplicities - AB35C32_oI136_23_b_c2ef4g16k_28k:Fe-Ni-S, expected FeNi79S112 to be FeNi35S32" +mp-1224893,FeNiS4,-5.8184048183,-0.6857452587,0.0343883925,0.0343883925,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Fe-Ni-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Fe-Ni-S, expected FeNiS8 to be FeNiS4" +mp-1022578,Mg6FeNi,-2.8132742025,0.1682055713,0.2438199415,0.2438199415,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Ni, expected Mg12FeNi to be Mg6FeNi" +mp-1099274,Mg6FeNi,-2.83523203,0.1462477438,0.221862114,0.221862114,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:Fe-Mg-Ni +mp-1022605,Mg6FeNi,-2.8651415713,0.1163382025,0.1919525727,0.1919525727,GGA,P-6m2,AB6C_hP8_187_a_jk_d:Fe-Mg-Ni,8.0,AB6C_hP8_187_a_jk_d:Fe-Mg-Ni +mp-1113230,Cs2PrAgF6,-5.23807994,-3.1507659093,0.004704546,0.004704546,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Pr,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Pr +mp-1225266,Fe9B4Ir3,-8.3043135331,-0.212872251,0.036018865,0.036018865,GGA,Pm,A4B9C3_mP16_6_2a2b_a4c_a2b:B-Fe-Ir,16.0,"Invalid WP multiplicities - A4B9C3_mP16_6_2a2b_a8c_a2b:B-Fe-Ir, expected Fe17B4Ir3 to be Fe9B4Ir3" +mp-1191106,ScFeB4,-7.590283430399999,-0.670273864,0.0,-0.1028313125,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Sc,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Sc +mp-22425,Sc2FeB2Ir5,-8.5900350775,-0.7214436913000001,0.0,-0.0604183263,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Ir-Sc,20.0,"Invalid WP multiplicities - A2BC5D2_tP20_127_g_a_2c2j_g:B-Fe-Ir-Sc, expected Sc2Fe(BIr5)2 to be Sc2FeB2Ir5" +mp-505429,Th(Re2Si)2,-10.2061643971,-0.4857925329,0.0,-0.212869245,GGA,Pnnm,A4B2C_oP28_58_4g_2g_g:Re-Si-Th,28.0,A4B2C_oP28_58_4g_2g_g:Re-Si-Th +mp-1206114,ThRe2SiC,-9.858654536,-0.4672753075,0.0,-0.051718043,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Th,10.0,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Th +mp-1208404,Tm2Sn3(PbS4)3,-5.2151033108,-1.1273170095,0.0220830646,0.0220830646,GGA,Pmc2_1,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Tm,40.0,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Tm +mp-698644,Tm2PbS4,-5.6996378727,-1.5267639607,0.3959755654,0.3959755654,GGA,P2_1,AB4C2_mP56_4_4a_16a_8a:Pb-S-Tm,56.0,"Invalid WP multiplicities - AB4C2_mP56_4_7a_31a_15a:Pb-S-Tm, expected Tm15Pb7S31 to be Tm2PbS4" +mp-1217268,Tm2PbS4,-6.0922276189,-1.9193537069,0.0033858191,0.0033858191,GGA,Cmc2_1,AB4C2_oC112_36_2ab_8a4b_4a2b:Pb-S-Tm,56.0,AB4C2_oC112_36_2ab_8a4b_4a2b:Pb-S-Tm +mp-1194087,Tm2PbS4,-6.0913447971,-1.9184708851,0.0042686409,0.0042686409,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-S-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Pb-S-Tm +mp-1208137,Tm12(OsC3)5,-8.12760258,-0.3689511857,0.0,-0.0288675069,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Tm,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Tm +mp-1205607,TmSiOs2C,-8.81415228,-0.4972415188,0.0,-0.0301136817,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Tm,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Tm +mp-570217,Tm(SiOs)2,-8.270678922,-0.7144376533,0.0,-0.2223657307,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Os-Si-Tm +mp-23348,KFeBr3,-4.173214274,-1.3253132446,0.0516097273,0.0516097273,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Fe-K,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:Br-Fe-K, expected KFeBr9 to be KFeBr3" +mp-1211812,K4Zr6FeBr18,-5.0411799562,-1.8635133797,0.0,-0.0730445756,GGA,P-1,A18BC4D6_aP29_2_9i_a_2i_3i:Br-Fe-K-Zr,29.0,A18BC4D6_aP29_2_9i_a_2i_3i:Br-Fe-K-Zr +mp-1354592,K4Zr6FeBr18,-2.7028642828,0.4748022937,2.3383156734,2.2652710978,GGA,P-1,A18BC4D6_aP29_2_9i_a_2i_3i:Br-Fe-K-Zr,29.0,A18BC4D6_aP29_2_9i_a_2i_3i:Br-Fe-K-Zr +mp-1211520,KFeBr4,-4.0081365092,-1.3760475963,0.0,-0.1347981217,GGA,Pnna,A4BC_oP24_52_2e_c_d:Br-Fe-K,24.0,A4BC_oP24_52_2e_c_d:Br-Fe-K +mp-1077243,K2Zr,-2.2723177817,1.3171817263,1.3171817263,1.3171817263,GGA,P6_3/mmc,A2B_hP6_194_ac_d:K-Zr,6.0,A2B_hP6_194_ac_d:K-Zr +mp-1185188,K3Zr,-1.99164003,0.9780843377,0.9780843377,0.9780843377,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Zr,4.0,A3B_tI8_139_ad_b:K-Zr +mp-1185108,K3Zr,-1.988000715,0.9817236527,0.9817236527,0.9817236527,GGA,Pm-3m,A3B_cP4_221_c_a:K-Zr,4.0,A3B_cP4_221_c_a:K-Zr +mp-973265,K3Zr,-1.991496875,0.9782274927,0.9782274927,0.9782274927,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Zr,4.0,A3B_cF16_225_ac_b:K-Zr +mp-865867,Li2YTl,-3.41311372,-0.2513737217,0.0,-0.0186396359,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Tl-Y,4.0,A2BC_cF16_225_c_a_b:Li-Tl-Y +mp-867807,LiYTl2,-3.6008178475,-0.3256477792,0.0,-0.0264525875,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Tl-Y,4.0,AB2C_cF16_225_a_c_b:Li-Tl-Y +mp-1139957,LiY(TlCl3)2,-4.4839570345,-2.0647670112,0.0,-0.010159027,GGA,P-1,A6BC2D_aP20_2_6i_ah_2i_be:Cl-Li-Tl-Y,40.0,"Invalid WP multiplicities - A6BC2D_aP20_2_24i_ah_7i_be:Cl-Li-Tl-Y, expected LiYTl7Cl24 to be LiY(TlCl3)2" +mp-1139958,LiY(TlCl3)2,-4.472758015,-2.0535679917,0.0111990195,0.0010399925,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Tl-Y,40.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Tl-Y +mp-1093610,LiY2Tl,-2.23175409,2.06937297,2.3125234862,2.3125234862,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Li-Tl-Y +mp-1185241,LiY2Tl,-4.536139605,-0.235012545,0.0081379712,0.0081379712,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Tl-Y,4.0,ABC2_cF16_225_a_b_c:Li-Tl-Y +mp-12903,YAgTe2,-5.0355461825,-1.1391364567,0.0,-0.0094726891,GGA,P-42_1m,AB2C_tP8_113_a_e_c:Ag-Te-Y,8.0,AB2C_tP8_113_a_e_c:Ag-Te-Y +mp-1215907,YAgTe2,-5.0171200575,-1.1207103317,0.018426125,0.0089534359,GGA,P3m1,AB2C_hP4_156_a_ab_c:Ag-Te-Y,4.0,AB2C_hP4_156_a_ab_c:Ag-Te-Y +mp-10337,BaYAgTe3,-4.914652295,-1.4733323389,0.0,-0.0246678496,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Ba-Te-Y,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c2f_a:Ag-Ba-Te-Y, expected BaYAgTe6 to be BaYAgTe3" +mp-642238,Y6AgTe2,-6.1027389247,-0.7785173169,0.0,-0.0171726751,GGA,Pnma,AB2C6_oP36_62_c_2c_6c:Ag-Te-Y,36.0,"Invalid WP multiplicities - AB2C6_oP36_62_c_4c_21c:Ag-Te-Y, expected Y21AgTe4 to be Y6AgTe2" +mp-17872,Ba(YTe2)2,-5.7178174039,-1.7999401554,0.0,-0.0232405986,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-Te-Y,28.0,AB4C2_oP28_62_c_4c_2c:Ba-Te-Y +mp-976148,K2RbSb,-2.2550055175,-0.4224222159,0.0102234546,0.0102234546,GGA,Fm-3m,A2BC_cF16_225_c_a_b:K-Rb-Sb,4.0,A2BC_cF16_225_c_a_b:K-Rb-Sb +mp-1110716,K2RbSbCl6,-3.661256394,-1.8191010773,0.0890999558,0.0890999558,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Sb +mp-13374,LaTmO3,-8.8140954055,-3.9637136731,0.0204909144,0.0204909144,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Tm,20.0,AB3C_oP20_62_c_cd_a:La-O-Tm +mp-1212025,La3Tm2(GaO4)3,-8.0117364257,-3.4015241875,0.0,-0.024353541,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Tm,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Tm +mp-753898,LaTmO2,-8.107649355,-3.2813443673,0.0843670035,0.0843670035,GGA,R-3m,AB2C_hR12_166_a_c_b:La-O-Tm,4.0,AB2C_hR12_166_a_c_b:La-O-Tm +mp-1110617,Na2MnTlF6,-5.086190867,-2.5223325839,0.2205274635,0.2205274635,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Mn-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Mn-Na-Tl +mp-998762,MnTlF3,-6.051000196,-2.5991811278,0.0,-0.0314592625,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Mn-Tl,5.0,A3BC_cP5_221_c_b_a:F-Mn-Tl +mp-1102938,MnTlF4,-5.7812879842000005,-2.5861922660000003,0.0,-0.0606800557,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Mn-Tl,12.0,A4BC_mC24_15_2f_a_e:F-Mn-Tl +mp-556259,Ba3EuRu2O9,-7.781330916,-2.5091355759,0.0,-0.0276637222,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Eu-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_194_2b2f_a_5h6k_f:Ba-Eu-O-Ru, expected Ba6EuRu2O51 to be Ba3EuRu2O9" +mp-22365,Eu3RuO7,-9.4477157918,-2.6593313447,0.0,-0.0295855251,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Eu-O-Ru,22.0,A3B7C_oC44_63_ag_cgh_b:Eu-O-Ru +mp-866036,EuRuO3,-9.041606374,-2.1673122792,0.1372101716,0.1372101716,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Ru,5.0,AB3C_cP5_221_a_c_b:Eu-O-Ru +mp-1205665,Ba2EuRuO6,-7.932665236,-2.6277165873,0.0,-0.0416893478,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Ru,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Ru +mp-637431,Eu2Ru2O7,-9.0098162014,-2.3107589597,0.0,-0.0674032387,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Ru,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Eu-O-Ru, expected EuRuO10 to be Eu2Ru2O7" +mp-18453,RbAlPdF6,-5.2727130197,-2.8977279622000003,0.0239303369,0.0239303369,GGA,Pnma,AB6CD_oP36_62_a_2c2d_c_c:Al-F-Pd-Rb,36.0,"Invalid WP multiplicities - AB6CD_oP36_62_a_2c3d_c_c:Al-F-Pd-Rb, expected RbAlPdF8 to be RbAlPdF6" +mp-1078668,NiPbO3,-6.15665555,-1.2900855732,0.0,-0.022299858,GGA+U,R3c,AB3C_hR30_161_a_b_a:Ni-O-Pb,10.0,AB3C_hR30_161_a_b_a:Ni-O-Pb +mp-974108,NiPbO3,-5.78969708,-0.9231271032,0.36695847,0.344658612,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Pb,5.0,AB3C_cP5_221_b_c_a:Ni-O-Pb +mp-20659,Sr3NiPbO6,-6.3660976145,-2.3441524893,0.0073228755,0.0073228755,GGA+U,R-3c,AB6CD3_hR66_167_b_f_a_e:Ni-O-Pb-Sr,44.0,AB6CD3_hR66_167_b_f_a_e:Ni-O-Pb-Sr +mp-1111915,K2NaTlBr6,-3.064291087,-1.5418774556,0.0715554017,0.0715554017,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Tl +mp-1211780,K6Na4Tl13,-1.9782162865,-0.1231356012,0.0003227153,0.0003227153,GGA,Im-3,A6B4C13_cI46_204_e_c_ag:K-Na-Tl,23.0,A6B4C13_cI46_204_e_c_ag:K-Na-Tl +mp-1225049,K18Na46Tl31,-1.7339868141,-0.1122470026,0.0,-0.0096357594,GGA,P-6m2,A18B46C31_hP95_187_jk2n_gh7n_a2g2h2ijk2n:K-Na-Tl,95.0,"Invalid WP multiplicities - A18B46C31_hP95_187_jk3n_2gh10n_a4g2h3ijk3n:K-Na-Tl, expected K24Na66Tl43 to be K18Na46Tl31" +mp-1093779,KNa2Tl,-0.8663179075,0.6632052626,0.7492009501,0.7492009501,GGA,Immm,AB2C_oI8_71_a_e_b:K-Na-Tl,4.0,AB2C_oI8_71_a_e_b:K-Na-Tl +mp-1223685,K9NaTl13,-1.9121163161,-0.0847042846,0.0458300605,0.0458300605,GGA,R-3,A9BC13_hR69_148_df_b_a2f:K-Na-Tl,23.0,"Invalid WP multiplicities - A9BC13_hR69_148_df_b_a6f:K-Na-Tl, expected K9NaTl37 to be K9NaTl13" +mp-7775,U2AlCu3,-6.4091663725,0.0285029375,0.1548117642,0.1548117642,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Al-Cu-U,12.0,AB3C2_hP12_194_a_h_f:Al-Cu-U +mp-1216892,U2Al3Cu7,-5.2889348742,-0.0794353575,0.0925226585,0.0925226585,GGA,P2/m,A3B7C2_mP12_10_am_cdg2n_n:Al-Cu-U,12.0,"Invalid WP multiplicities - A3B7C2_mP12_10_am_cdg4n_n:Al-Cu-U, expected U2Al3Cu11 to be U2Al3Cu7" +mp-19872,UAl2Cu,-5.4515597875,0.2688822975,0.4744646901,0.4744646901,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Cu-U,4.0,A2BC_cF16_225_c_a_b:Al-Cu-U +mp-1217038,U(AlCu)6,-4.5934427885,-0.1042039415,0.127536745,0.127536745,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Al-Cu-U,13.0,A6B6C_oF52_69_dm_em_a:Al-Cu-U +mp-7248,U(Al2Cu)4,-4.6449329023,-0.2100988,0.0,-0.0104135403,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-U,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-U +mp-1216744,U(Al2Cu)4,-4.4474466777,-0.0126125754,0.1974862246,0.1870726843,GGA,I4/mmm,A8B4C_tI26_139_fj_i_a:Al-Cu-U,13.0,A8B4C_tI26_139_fj_i_a:Al-Cu-U +mp-1216353,UAl7Fe3Cu2,-5.7336748238,-0.26298884,0.0281999413,0.0281999413,GGA,Cm,A7B2C3D_mC26_8_7a_b_ab_a:Al-Cu-Fe-U,13.0,A7B2C3D_mC26_8_7a_b_ab_a:Al-Cu-Fe-U +mp-1191305,UAl5Cu6,-4.7882093238,-0.2369985588,0.0,-0.0287181742,GGA,Fddd,A5B6C_oF96_70_ah_ch_b:Al-Cu-U,24.0,A5B6C_oF96_70_ah_ch_b:Al-Cu-U +mp-1025043,UAl2Cu3,-5.21048312,-0.03045284,0.1696491414,0.1696491414,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Al-Cu-U,6.0,A2B3C_hP6_191_c_g_a:Al-Cu-U +mp-1216319,UAl7Cu5,-4.6868876646,-0.22485119,0.0,-0.0047177361,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-U,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-U +mp-1021431,CsNaICl,-3.176295725,-1.7913380561,0.1438486275,0.1438486275,GGA,P4/mmm,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-Na,4.0,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-Na +mp-545529,NdBi2ClO4,-6.6803885612,-2.4198364116,0.0,-0.0678907767,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Nd-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Nd-O +mp-973451,Nd2BiO2,-7.514885212,-2.8608529285,0.0,-0.0815006837,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Nd-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Nd-O +mp-974740,NdBiO3,-6.5858118,-1.8960712607,0.8262384298000001,0.8262384298000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-Nd-O,5.0,ABC3_cP5_221_b_a_c:Bi-Nd-O +mp-756400,NdBiO4,-7.1503860217,-2.4178207871,0.0,-0.0990040358,GGA,C2/c,ABC4_mC24_15_e_e_2f:Bi-Nd-O,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_e_3f:Bi-Nd-O, expected NdBiO6 to be NdBiO4" +mp-1101681,Nd2(BiO2)7,-6.6536831791,-2.0591892342,0.0473169975,0.0473169975,GGA,Cm,A7B2C14_mC46_8_7a_2a_14a:Bi-Nd-O,23.0,A7B2C14_mC46_8_7a_2a_14a:Bi-Nd-O +mp-1226934,Cd2SeS,-3.2309298325,-0.8613946164,0.0083316738,0.0083316738,GGA,P3m1,A2BC_hP4_156_ab_a_b:Cd-S-Se,4.0,A2BC_hP4_156_ab_a_b:Cd-S-Se +mp-1226388,Cr2CdSe3S,-5.8426291500000005,-0.8636050072,0.0097113126,0.0097113126,GGA,Imm2,AB2CD3_oI28_44_ab_cd_c_c2d:Cd-Cr-S-Se,14.0,AB2CD3_oI28_44_ab_cd_c_c2d:Cd-Cr-S-Se +mp-4338,Cr2CdS4,-6.2426659821,-0.9891253868,0.0,-0.0266381293,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Cr-S,14.0,AB2C4_cF56_227_a_d_e:Cd-Cr-S +mp-1226382,Cr2CdSeS3,-6.1039742779,-0.9419391667,0.0124831971,0.0124831971,GGA,Imm2,AB2C3D_oI28_44_ab_cd_c2d_c:Cd-Cr-S-Se,14.0,AB2C3D_oI28_44_ab_cd_c2d_c:Cd-Cr-S-Se +mp-1110912,K2AgSbBr6,-3.22856934,-1.3785168283,0.0136421808,0.0136421808,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Sb +mp-7643,K2AgSb,-2.752807905,-0.4572191207,0.0,-0.0983222143,GGA,Cmcm,AB2C_oC16_63_a_g_c:Ag-K-Sb,8.0,AB2C_oC16_63_a_g_c:Ag-K-Sb +mp-865483,Li2GdIn,-5.4529539175,-0.2915409917,0.0,-0.0195348221,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Gd-In-Li,4.0,ABC2_cF16_225_a_b_c:Gd-In-Li +mp-1235435,LiGd6In2O12,-10.4082475229,-3.2068528418,0.128327273,0.128327273,GGA,R3,A6B2CD12_hR63_146_2b_2a_a_4b:Gd-In-Li-O,21.0,"Invalid WP multiplicities - A6B2CD12_hR63_146_4b_2a_a_12b:Gd-In-Li-O, expected LiGd12In2O36 to be LiGd6In2O12" +mp-1185362,LiGd2In,-8.4841415625,-0.2809287933,0.0201673663,0.0201673663,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-In-Li,4.0,A2BC_cF16_225_c_a_b:Gd-In-Li +mp-1185472,LiGdIn2,-4.512907425,0.8591957167000001,1.2501845369,1.2501845369,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Gd-In-Li,4.0,AB2C_cF16_225_a_c_b:Gd-In-Li +mp-642227,Sb8Pb5S17,-4.6944320388000005,-0.6306022719000001,0.0028155005,0.0028155005,GGA,C2/c,A5B17C8_mC120_15_e2f_e8f_4f:Pb-S-Sb,60.0,"Invalid WP multiplicities - A5B17C8_mC120_15_2e7f_2e27f_12f:Pb-S-Sb, expected Sb3Pb2S7 to be Sb8Pb5S17" +mp-683891,MnSb6(Pb2S7)2,-4.9147536974,-0.6468773315,0.0084406407,0.0084406407,GGA,P2_1/c,AB4C14D6_mP50_14_a_2e_7e_3e:Mn-Pb-S-Sb,50.0,"Invalid WP multiplicities - AB4C14D6_mP50_14_a_5e_25e_9e:Mn-Pb-S-Sb, expected MnSb18(PbS5)10 to be MnSb6(Pb2S7)2" +mp-630376,Sb6Pb6S17,-4.6728735819,-0.6256481475,0.0081294509,0.0081294509,GGA,P2_12_12,A6B17C6_oP58_18_3c_a8c_3c:Pb-S-Sb,58.0,"Invalid WP multiplicities - A6B17C6_oP58_18_10c_2a31c_7c:Pb-S-Sb, expected Sb7(Pb5S16)2 to be Sb6Pb6S17" +mp-649982,Sb8(Pb3S7)3,-4.69355933,-0.6590519417,0.0061777158,0.0061777158,GGA,C2/c,A9B21C8_mC152_15_e4f_e10f_4f:Pb-S-Sb,76.0,"Invalid WP multiplicities - A9B21C8_mC152_15_e14f_2e38f_14f:Pb-S-Sb, expected Sb28Pb29S78 to be Sb8(Pb3S7)3" +mp-22737,Sb8(PbS5)3,-4.6954282846,-0.6101706256,0.0,-0.004029057,GGA,C2/c,A3B15C8_mC104_15_ef_e7f_4f:Pb-S-Sb,52.0,A3B15C8_mC104_15_ef_e7f_4f:Pb-S-Sb +mp-1219470,SbPbS2,-4.55135443,-0.5227174191,0.1019882548,0.1019882548,GGA,Amm2,AB2C_oC8_38_a_ab_b:Pb-S-Sb,4.0,AB2C_oC8_38_a_ab_b:Pb-S-Sb +mp-638022,Sb4Pb5S11,-4.6908859112,-0.6618764689000001,0.0093179171,0.0093179171,GGA,P2_1/c,A5B11C4_mP160_14_10e_22e_8e:Pb-S-Sb,160.0,"Invalid WP multiplicities - A5B11C4_mP160_14_34e_85e_24e:Pb-S-Sb, expected Sb24(Pb2S5)17 to be Sb4Pb5S11" +mp-504814,Sb2Pb2S5,-4.6843233022,-0.6437070851000001,0.0148950964,0.0148950964,GGA,Pnma,A2B5C2_oP36_62_2c_5c_2c:Pb-S-Sb,36.0,A2B5C2_oP36_62_2c_5c_2c:Pb-S-Sb +mp-641987,Sb8Pb7S19,-4.6865967931,-0.6391530613,0.012041941,0.012041941,GGA,C2/c,A7B19C8_mC136_15_e3f_e9f_4f:Pb-S-Sb,68.0,"Invalid WP multiplicities - A7B19C8_mC136_15_2e8f_2e32f_15f:Pb-S-Sb, expected Sb5Pb3S11 to be Sb8Pb7S19" +mp-27907,Sb6Pb4S13,-4.6771547122,-0.6163527996,0.0203498958,0.0203498958,GGA,P1,A4B13C6_aP46_1_8a_26a_12a:Pb-S-Sb,46.0,A4B13C6_aP46_1_8a_26a_12a:Pb-S-Sb +mp-1219601,SbPb3S4,-4.5763018075,-0.5997090678,0.1049058824,0.1049058824,GGA,Pm,A3B4C_mP8_6_a2b_2a2b_a:Pb-S-Sb,8.0,A3B4C_mP8_6_a2b_2a2b_a:Pb-S-Sb +mp-621960,Sb4Pb4S11,-4.6105443339,-0.5648842405,0.0747728645,0.0747728645,GGA,Pbam,A4B11C4_oP38_55_2h_a2g3h_2g:Pb-S-Sb,38.0,"Invalid WP multiplicities - A4B11C4_oP38_55_3h_2a6g10h_5g:Pb-S-Sb, expected Sb5Pb3S17 to be Sb4Pb4S11" +mp-1192509,Cs2Th(AsO4)2,-6.9900685508,-2.5211139743,0.0,-0.0559396335,GGA,I4_1/amd,A2B2C8D_tI52_141_e_c_2h_b:As-Cs-O-Th,26.0,A2B2C8D_tI52_141_e_c_2h_b:As-Cs-O-Th +mp-1183997,CsThO3,-7.59697365,-2.9671082988,0.146533562,0.146533562,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Th,5.0,AB3C_cP5_221_a_c_b:Cs-O-Th +mp-772609,La2Zn2O5,-6.9810034722,-2.8560095849,0.0929541262,0.0929541262,GGA,Pnma,A2B5C2_oP36_62_d_c2d_ac:La-O-Zn,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_d_4c5d_2a2c:La-O-Zn, expected LaZn2O7 to be La2Zn2O5" +mp-1184965,LaZnO3,-6.73076793,-2.5236045602,0.1304627798,0.1304627798,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Zn,5.0,AB3C_cP5_221_a_c_b:La-O-Zn +mp-1206306,LaZn2AsO2,-4.5226610067,-0.8546626479,1.1201476014,1.1201476014,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:As-La-O-Zn,6.0,ABC2D2_tP6_123_a_b_g_g:As-La-O-Zn +mp-1211347,La2ZnAs2O,-4.777078235,-0.5442976781000001,1.352650985,1.352650985,GGA,P4/mmm,A2B2CD_tP6_123_g_g_a_b:As-La-O-Zn,6.0,A2B2CD_tP6_123_g_g_a_b:As-La-O-Zn +mp-549589,LaZnAsO,-6.0139697875,-2.0635803297,0.0,-0.1076887322,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-La-O-Zn,8.0,ABCD_tP8_129_c_c_a_b:As-La-O-Zn +mp-756599,La2ZnO4,-7.6655014218,-3.2485710411,0.0310865134,0.0310865134,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:La-O-Zn,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:La-O-Zn, expected La5ZnO13 to be La2ZnO4" +mp-770296,La4Zn3O9,-7.2496836134,-2.9969675102,0.0966747573,0.0966747573,GGA,Pnma,A4B9C3_oP64_62_2d_c4d_cd:La-O-Zn,64.0,"Invalid WP multiplicities - A4B9C3_oP64_62_5d_4c13d_3c2d:La-O-Zn, expected La10Zn7O30 to be La4Zn3O9" +mp-976257,KTi5Se8,-6.3776010636,-1.4808045742,0.0,-0.0285612856,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:K-Se-Ti,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_7i_c3i:K-Se-Ti, expected K(TiSe2)7 to be KTi5Se8" +mp-1180688,KTiCu3Se4,-4.7804933956,-0.8596981862,0.0164008822,0.0164008822,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Ti,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Ti +mp-1224082,K(Ti3Se4)4,-6.7244270745,-1.4902585645,0.0,-0.0137103741,GGA,P-1,AB16C12_aP29_2_a_8i_6i:K-Se-Ti,29.0,"Invalid WP multiplicities - AB16C12_aP29_2_a_15i_12i:K-Se-Ti, expected K(Ti4Se5)6 to be K(Ti3Se4)4" +mp-1223931,K(Ti3Se4)2,-6.5668312393,-1.4701217148,0.0,-0.0061465016,GGA,P-3,AB8C6_hP15_147_a_dg_g:K-Se-Ti,15.0,AB8C6_hP15_147_a_dg_g:K-Se-Ti +mp-669378,Ce3Si2S8Br,-6.3044996300000005,-1.7834617164000002,0.0,-0.0197594627,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Br-Ce-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2ef_14f_f:Br-Ce-S-Si, expected Ce4Si2S28Br to be Ce3Si2S8Br" +mp-1213818,CeSBr,-6.1742128821,-2.3000237648,0.0272007885,0.0272007885,GGA,Pbca,ABC_oP24_61_c_c_c:Br-Ce-S,24.0,ABC_oP24_61_c_c_c:Br-Ce-S +mp-3890,Sm2Cr2Fe15,-8.1557284632,0.0439339242,0.0439339242,0.0439339242,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Cr-Fe-Sm,19.0,"Invalid WP multiplicities - A2B15C2_hR57_166_c_df2h_c:Cr-Fe-Sm, expected Sm2Cr2Fe21 to be Sm2Cr2Fe15" +mp-1219267,Sm2Fe17C,-7.8836525885,0.2491573281,0.2791444198,0.2791444198,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Sm,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i3j_i:C-Fe-Sm, expected Sm2Fe25C to be Sm2Fe17C" +mp-1219247,Sm2Fe17C2,-8.2181957733,-0.0332022579,0.0205265981,0.0205265981,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Fe-Sm,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i3j_i:C-Fe-Sm, expected Sm2Fe25C2 to be Sm2Fe17C2" +mp-1213780,Cr21(FeC3)2,-9.5325343852,-0.0488781009,0.0217521651,0.0217521651,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:C-Cr-Fe,29.0,A6B21C2_cF116_225_e_afh_c:C-Cr-Fe +mp-1219362,Sm4Cr3Fe31C4,-8.2899132012,-0.02041781,0.0333110459,0.0333110459,GGA,P1,A4B3C31D4_aP42_1_4a_3a_31a_4a:C-Cr-Fe-Sm,42.0,A4B3C31D4_aP42_1_4a_3a_31a_4a:C-Cr-Fe-Sm +mp-1208781,Sm11(Fe2C3)6,-8.0382027493,-0.2416007768,0.0,-0.0565028354,GGA,I-43m,A18B12C11_cI82_217_eg_g_acd:C-Fe-Sm,41.0,A18B12C11_cI82_217_eg_g_acd:C-Fe-Sm +mp-1219238,Sm2Cr(Fe8C)2,-8.0692016333,0.172126466,0.2258553219,0.2258553219,GGA,Cm,A2BC16D2_mC42_8_b_a_4a6b_2a:C-Cr-Fe-Sm,21.0,"Invalid WP multiplicities - A2BC16D2_mC42_8_b_a_4a9b_2a:C-Cr-Fe-Sm, expected Sm2Cr(Fe11C)2 to be Sm2Cr(Fe8C)2" +mp-1219244,Sm2CrFe16,-8.1118096795,0.0255881679,0.0255881679,0.0255881679,GGA,R3m,AB16C2_hR57_160_a_a3bc_2a:Cr-Fe-Sm,19.0,AB16C2_hR57_160_a_a3bc_2a:Cr-Fe-Sm +mp-972662,Sm2Fe17C3,-8.1254021295,0.1070310212,0.1823432992,0.1823432992,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Sm,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Sm +mp-1219348,Sm4Cr3Fe31,-8.1329325595,0.0355975579,0.0355975579,0.0355975579,GGA,Cm,A3B31C4_mC76_8_3a_7a12b_4a:Cr-Fe-Sm,38.0,"Invalid WP multiplicities - A3B31C4_mC76_8_3a_7a23b_4a:Cr-Fe-Sm, expected Sm4Cr3Fe53 to be Sm4Cr3Fe31" +mp-1219232,Sm2Cr2Fe15C2,-8.1497256324,0.1479370507,0.2016659066,0.2016659066,GGA,C2/m,A2B2C15D2_mC42_12_e_i_afhi2j_i:C-Cr-Fe-Sm,21.0,"Invalid WP multiplicities - A2B2C15D2_mC42_12_f_i_ae2h2i4j_i:C-Cr-Fe-Sm, expected Sm2Cr2Fe27C2 to be Sm2Cr2Fe15C2" +mp-1219321,Sm4CrFe33,-8.0812342771,0.0250313003,0.0250313003,0.0250313003,GGA,Cm,AB33C4_mC76_8_a_9a12b_4a:Cr-Fe-Sm,38.0,"Invalid WP multiplicities - AB33C4_mC76_8_a_9a23b_4a:Cr-Fe-Sm, expected Sm4CrFe55 to be Sm4CrFe33" +mp-1219272,Sm4CrFe33C4,-8.2431850174,-0.03002421,0.0237046459,0.0237046459,GGA,P1,A4BC33D4_aP42_1_4a_a_33a_4a:C-Cr-Fe-Sm,42.0,A4BC33D4_aP42_1_4a_a_33a_4a:C-Cr-Fe-Sm +mp-1219344,Sm4Fe34C3,-8.1797603937,-0.0202222923,0.0219252152,0.0219252152,GGA,P-1,A3B34C4_aP41_2_ci_ab16i_2i:C-Fe-Sm,41.0,"Invalid WP multiplicities - A3B34C4_aP41_2_ci_ab30i_4i:C-Fe-Sm, expected Sm8Fe62C3 to be Sm4Fe34C3" +mp-1196278,Sm2Fe14C,-8.1085809726,-0.0352789313,0.0,-0.0029075854,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Sm,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Sm +mp-1078035,Sm2Cr2C3,-8.2942569629,-0.2329335789,0.0,-0.0786765472,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Sm,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Sm +mp-999178,SmFeC2,-8.1188039825,-0.2073194,0.0097598205,0.0097598205,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Fe-Sm,4.0,A2BC_oC8_38_d_a_b:C-Fe-Sm +mp-1219277,Sm(CrFe5)2,-8.3346328869,0.0288204342,0.0288204342,0.0288204342,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Sm,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Sm +mp-1019578,Ca5(SiN3)2,-6.7658594331,-1.3121975092,0.0012901235,-0.0324259538,GGA,C2/m,A5B6C2_mC52_12_ghij_2i2j_2i:Ca-N-Si,26.0,A5B6C2_mC52_12_ghij_2i2j_2i:Ca-N-Si +mp-571333,Ca5(SiN3)2,-6.7671495565,-1.3134876327,0.0,-0.0337160773,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Si,26.0,"Invalid WP multiplicities - A5B6C2_mC52_15_2e6f_12f_f:Ca-N-Si, expected Ca7SiN12 to be Ca5(SiN3)2" +mp-1019576,Ca4SiN4,-6.4229094842,-1.2236097897,0.0,-0.0078999394,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Ca-N-Si,36.0,A4B4C_mP36_14_4e_4e_e:Ca-N-Si +mp-1247279,Ca3Nb3N5,-8.0974139477,-1.0062149127,0.1870283095,0.1870283095,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Nb,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Nb +mp-28922,Ca2Si5N8,-7.929516208,-1.4075329207,0.0,-0.0511173273,GGA,Cc,A2B8C5_mC60_9_2a_8a_5a:Ca-N-Si,30.0,A2B8C5_mC60_9_2a_8a_5a:Ca-N-Si +mp-570645,Ca2Si5N8,-7.924592538,-1.4026092507,0.00492367,-0.0461936573,GGA,Pbca,A2B8C5_oP120_61_2c_8c_5c:Ca-N-Si,120.0,"Invalid WP multiplicities - A2B8C5_oP120_61_8c_59c_36c:Ca-N-Si, expected Ca8Si36N59 to be Ca2Si5N8" +mp-1019552,Ca16(SiN2)17,-7.45424742,-1.3682648522,0.0256685596,0.0256685596,GGA,F-43m,A16B34C17_cF268_216_efg_ab2e2h_c4e:Ca-N-Si,67.0,A16B34C17_cF268_216_efg_ab2e2h_c4e:Ca-N-Si +mp-1247518,Ca3(NbN2)2,-7.5621591133,-0.9437825111,0.2372478754,0.2372478754,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Nb,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Nb +mp-1246963,Ca3(NbN2)2,-7.5555192039,-0.9371426017,0.2438877849,0.2438877849,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Nb,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Nb +mp-568965,CaSiN2,-7.4321124681,-1.4061355281,0.0,-0.0422664912,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Si,64.0,"Invalid WP multiplicities - AB2C_oP64_61_9c_26c_7c:Ca-N-Si, expected Ca9Si7N26 to be CaSiN2" +mp-1029506,CaSiN2,-7.3814669469,-1.3554900069,0.0506455212,0.0083790301,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ca-N-Si,16.0,AB2C_oC32_64_f_ef_f:Ca-N-Si +mp-1029832,Ca2NbN3,-7.7590452933,-1.2387136975,0.0,-0.0812433079,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-Nb,24.0,A2B3C_oC48_64_2f_e2f_f:Ca-N-Nb +mp-675101,Ca5NbN5,-6.8217419395,-1.2024892973,0.0,-0.1025570652,GGA,Cm,A5B5C_mC44_8_4a3b_6a2b_2a:Ca-N-Nb,22.0,"Invalid WP multiplicities - A5B5C_mC44_8_4a6b_6a4b_2a:Ca-N-Nb, expected Ca8NbN7 to be Ca5NbN5" +mp-1209941,Nb5Si3N,-9.1261357317,-0.7795830411,0.002455693,0.002455693,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:N-Nb-Si,18.0,AB5C3_hP18_193_b_dg_g:N-Nb-Si +mp-567722,Ca7NbSi2N9,-7.1381458145,-1.3476408363,0.0,-0.0577660253,GGA,P2_1/m,A7B9CD2_mP38_11_e3f_3e3f_e_2e:Ca-N-Nb-Si,38.0,"Invalid WP multiplicities - A7B9CD2_mP38_11_2e10f_6e9f_e_4e:Ca-N-Nb-Si, expected Ca22Nb(SiN6)4 to be Ca7NbSi2N9" +mp-1029474,Ca7SiN6,-6.0880223911,-1.1249161954,0.0,-0.0049547329,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-Si,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-Si +mp-1246629,CaSi7N10,-8.14985994,-1.2972057544,0.0473621021,0.0473621021,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Ca-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Ca-N-Si +mp-1212717,Ho(AsO)2,-6.1868523435,-1.4280477230000002,0.8703945236,0.8703945236,GGA,I4_1/amd,A2BC2_tI40_141_h_c_h:As-Ho-O,20.0,A2BC2_tI40_141_h_c_h:As-Ho-O +mp-1212352,Ho2FeAs2O,-5.5075113033,-0.1908838915,1.6498286383,1.6498286383,GGA+U,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Fe-Ho-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Fe-Ho-O +mp-777787,HoAsO4,-7.6216727408,-2.7836257208,0.0691652083,-0.1917572941,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Ho-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_15e:As-Ho-O, expected HoAsO15 to be HoAsO4" +mp-12944,HoAsO4,-7.6908379492,-2.8527909292,0.0,-0.2609225024,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Ho-O,12.0,ABC4_tI24_141_a_b_h:As-Ho-O +mp-781609,Ho3Fe5O12,-8.3244105386,-2.5515306789,0.028790174,0.028790174,GGA+U,Ia-3d,A5B3C12_cI160_230_ad_c_h:Fe-Ho-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_4a5d_c_h:Fe-Ho-O, expected Ho3Fe23O12 to be Ho3Fe5O12" +mp-17849,Ho6Fe16O,-6.5216336765000005,0.7810394231000001,1.1515583145,1.1515583145,GGA+U,Im-3m,A16B6C_cI46_229_ch_e_a:Fe-Ho-O,23.0,A16B6C_cI46_229_ch_e_a:Fe-Ho-O +mp-19785,HoFeO3,-8.4373758575,-2.8588766147,0.0122662794,0.0122662794,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Ho-O,20.0,ABC3_oP20_62_a_c_cd:Fe-Ho-O +mp-1206207,DyClO2,-6.2351719538,-2.1479967231,0.5989629809,0.5989629809,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-Dy-O,8.0,ABC2_mP8_11_e_e_2e:Cl-Dy-O +mp-1206499,Dy2Cl2O,-5.297725202,-1.7262580598,1.1303933547,1.1303933547,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Dy-O,5.0,A2B2C_tP5_123_g_g_a:Cl-Dy-O +mp-768166,Dy(ClO4)3,-5.3323810063,-0.9878396716,0.0,-0.1050646275,GGA,R3c,A3BC12_hR96_161_b_a_4b:Cl-Dy-O,32.0,"Invalid WP multiplicities - A3BC12_hR96_161_b_a_21b:Cl-Dy-O, expected Dy(ClO21)3 to be Dy(ClO4)3" +mp-768147,Dy(ClO4)3,-5.3150087375,-0.9704674028,0.0173722688,-0.0876923587,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Dy-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_11h6i:Cl-Dy-O, expected Dy(ClO23)3 to be Dy(ClO4)3" +mp-1181490,Dy(ClO2)3,-4.898124414,-0.9148715053,0.4179486613,0.4179486613,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Dy-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Dy-O +mp-1190313,Dy(ClO2)3,-4.7210690705000005,-0.7378161617,0.5950040048,0.5950040048,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Dy-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Dy-O +mp-556108,DyTiClO3,-8.4058917642,-3.5407448224,0.0,-0.01179044,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Dy-O-Ti,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_5i_i:Cl-Dy-O-Ti, expected DyTiClO5 to be DyTiClO3" +mp-28481,Ti(ClO4)4,-5.2679394274,-0.7709557113000001,0.0,-0.0103916993,GGA,C2/c,A4B16C_mC84_15_2f_8f_e:Cl-O-Ti,42.0,"Invalid WP multiplicities - A4B16C_mC84_15_2f_9f_e:Cl-O-Ti, expected Ti(Cl2O9)2 to be Ti(ClO4)4" +mp-1178361,DyClO,-7.3071432083,-3.5064724713,0.0489500433,-0.0727845,GGA,Pmmn,ABC_oP6_59_a_b_a:Cl-Dy-O,6.0,ABC_oP6_59_a_b_a:Cl-Dy-O +mp-755323,DyClO,-7.31640512,-3.5157343829,0.0396881317,-0.0820464117,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Dy-O,6.0,ABC_tP6_129_c_c_a:Cl-Dy-O +mp-1178362,DyClO,-7.3560932517,-3.5554225146,0.0,-0.1217345433,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-Dy-O,6.0,ABC_hR18_166_c_c_c:Cl-Dy-O +mp-22992,TiClO,-7.6274524083,-2.7305466124,0.0257493272,0.0257493272,GGA,Pmmn,ABC_oP6_59_a_a_b:Cl-O-Ti,6.0,ABC_oP6_59_a_a_b:Cl-O-Ti +mp-1245748,Sr7SiN6,-5.6970251304,-0.891972148,0.0136436434,0.0136436434,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Si-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Si-Sr +mp-1247105,MgSi7N10,-8.0108015339,-1.1806651167,0.1311176607,0.1311176607,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Mg-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Mg-N-Si +mp-1246141,Sr11(SiN5)2,-5.565145373,-0.6607969688,0.2935147735,0.2935147735,GGA,P4_2/mnm,A10B2C11_tP46_136_3fi_f_ag2i:N-Si-Sr,46.0,A10B2C11_tP46_136_3fi_f_ag2i:N-Si-Sr +mp-1246812,Sr2MgN2,-4.96989878,-0.6394474187,0.1213747925,0.1213747925,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Mg-N-Sr,5.0,AB2C2_tI10_139_a_e_e:Mg-N-Sr +mp-570598,SrSi7N10,-8.1565768244,-1.321484107,0.0111459549,0.0111459549,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Si-Sr,36.0,"Invalid WP multiplicities - A10B7C_mP36_7_20a_14a_a:N-Si-Sr, expected Sr(Si7N10)2 to be SrSi7N10" +mp-1246202,Mg5(SiN3)2,-6.3361270531,-1.0383573715,0.1395799738,0.1395799738,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Mg-N-Si,26.0,A5B6C2_mC52_15_e2f_3f_f:Mg-N-Si +mp-1246577,Mg5(SiN3)2,-6.2371224973,-0.9393528158,0.2385845295,0.2385845295,GGA,P-4b2,A5B6C2_tP52_117_cd2i_gh2i_i:Mg-N-Si,52.0,A5B6C2_tP52_117_cd2i_gh2i_i:Mg-N-Si +mp-567278,Sr(Si3N4)2,-8.0324273767,-1.3035366411,0.0,-0.0076188893,GGA,Imm2,A8B6C_oI30_44_cde_ce_a:N-Si-Sr,15.0,"Invalid WP multiplicities - A8B6C_oI30_44_2c2d3e_ce_a:N-Si-Sr, expected Sr(Si3N10)2 to be Sr(Si3N4)2" +mp-1020587,SrMg3SiN4,-6.1741864138,-1.1451162656,0.0,-0.0445818689,GGA,I4_1/a,A3B4CD_tI144_88_3f_4f_f_f:Mg-N-Si-Sr,72.0,A3B4CD_tI144_88_3f_4f_f_f:Mg-N-Si-Sr +mp-1246442,Mg7SiN6,-5.7088546229,-0.9484083421,0.0782344471,0.0782344471,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Mg-N-Si,28.0,A7B6C_oI56_72_ajk_jk_b:Mg-N-Si +mp-3677,MgSiN2,-7.2790946431,-1.3544476606,0.0,-0.1992884485,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-Si,16.0,AB2C_oP16_33_a_2a_a:Mg-N-Si +mp-15701,MgSiN2,-7.2497502738,-1.3251032912,0.0293443694,-0.1699440791,GGA,I-42d,AB2C_tI16_122_a_d_b:Mg-N-Si,8.0,AB2C_tI16_122_a_d_b:Mg-N-Si +mp-1017514,MgSiN2,-6.99653903,-1.0718920475,0.2825556131,0.0832671646,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-N-Si,4.0,AB2C_hR12_166_a_c_b:Mg-N-Si +mp-1029868,Sr5(SiN3)2,-6.4961614446,-1.1640789156,0.0,-0.0575702167,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Si-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Si-Sr +mp-1246296,Mg2Si5N8,-7.7096459793,-1.2417053359,0.0871433947,0.0871433947,GGA,Pbca,A2B8C5_oP120_61_2c_8c_5c:Mg-N-Si,120.0,A2B8C5_oP120_61_2c_8c_5c:Mg-N-Si +mp-1247268,SrMg5N4,-4.936199493,-0.6325121527,0.2352632704,0.2352632704,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Mg-N-Sr,20.0,A5B4C_oP20_59_ag_ef_b:Mg-N-Sr +mp-1247369,Mg4SiN4,-5.9451360664,-0.9259785186,0.1735097976,0.1735097976,GGA,Pnna,A4B4C_oP36_52_cde_2e_c:Mg-N-Si,36.0,A4B4C_oP36_52_cde_2e_c:Mg-N-Si +mp-10550,SrMg2N2,-5.152638686,-0.8400300053,0.0,-0.0158113058,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mg-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Mg-N-Sr +mp-9710,Sr2Si5N8,-7.858717977299999,-1.3788822136,0.0,-0.0432712127,GGA,Pmn2_1,A8B5C2_oP30_31_4a2b_3ab_2a:N-Si-Sr,30.0,A8B5C2_oP30_31_4a2b_3ab_2a:N-Si-Sr +mp-4549,SrSiN2,-7.303751675,-1.3568013417,0.0,-0.0776492307,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Si-Sr,16.0,A2BC_mP16_14_2e_e_e:N-Si-Sr +mp-1247264,Sr4SiN4,-5.9691360214,-0.9103280721,0.1197329272,0.1197329272,GGA,Pnna,A4BC4_oP36_52_2e_c_cde:N-Si-Sr,36.0,A4BC4_oP36_52_2e_c_cde:N-Si-Sr +mp-1211383,Li2Ni2(MoO4)3,-7.585291355,-1.9392211467,0.0025406689,0.0025406689,GGA+U,Pnma,A2B3C2D12_oP76_62_2c_cd_d_2c5d:Li-Mo-Ni-O,76.0,A2B3C2D12_oP76_62_2c_cd_d_2c5d:Li-Mo-Ni-O +mp-1201980,Mn3Fe2(GeO4)3,-7.8871933765,-2.0044215567,0.0158940758,0.0158940758,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Mn-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Mn-O +mp-760217,NaTi4O8,-8.8276849672,-3.2524539633,0.069356905,0.069356905,GGA,P1,AB8C4_aP39_1_3a_24a_12a:Na-O-Ti,39.0,AB8C4_aP39_1_3a_24a_12a:Na-O-Ti +mp-757433,NaTi4O8,-8.8736031629,-3.298372159,0.0234387093,0.0234387093,GGA,P2_1/c,AB8C4_mP52_14_e_8e_4e:Na-O-Ti,52.0,"Invalid WP multiplicities - AB8C4_mP52_14_e_31e_15e:Na-O-Ti, expected NaTi15O31 to be NaTi4O8" +mp-850251,Na2Ti9O19,-8.8810139267,-3.2912951183,0.0817660873,0.0817660873,GGA,Cm,A2B19C9_mC60_8_2a_19a_9a:Na-O-Ti,30.0,A2B19C9_mC60_8_2a_19a_9a:Na-O-Ti +mp-650929,Na2Ti9O19,-8.9293775647,-3.3396587563,0.0334024493,0.0334024493,GGA,C2/m,A2B19C9_mC60_12_i_a9i_b4i:Na-O-Ti,30.0,"Invalid WP multiplicities - A2B19C9_mC60_12_i_a16i_b7i:Na-O-Ti, expected Na2Ti15O33 to be Na2Ti9O19" +mp-776894,NaTiO2,-7.4921615338,-2.7143128506,0.0815183658,0.0815183658,GGA,Pbca,AB2C_oP32_61_c_2c_c:Na-O-Ti,32.0,"Invalid WP multiplicities - AB2C_oP32_61_c_5c_c:Na-O-Ti, expected NaTiO5 to be NaTiO2" +mp-7002,NaTiO2,-7.5660676475,-2.7882189643,0.007612252,0.007612252,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Ti,4.0,AB2C_hR12_166_a_c_b:Na-O-Ti +mp-761087,NaTiO2,-7.5315162131,-2.75366753,0.0421636864,0.0421636864,GGA,Fd-3m,AB2C_cF64_227_c_e_d:Na-O-Ti,16.0,AB2C_cF64_227_c_e_d:Na-O-Ti +mp-35618,Lu10Ti6O27,-9.0689297058,-3.8097889499,0.0804745024,0.0804745024,GGA,Cm,A10B27C6_mC86_8_6a2b_11a8b_2a2b:Lu-O-Ti,43.0,"Invalid WP multiplicities - A10B27C6_mC86_8_6a4b_11a16b_2a4b:Lu-O-Ti, expected Lu14Ti10O43 to be Lu10Ti6O27" +mp-1221004,NaLuTi2O6,-8.582586278499999,-3.4511270671,0.0150851051,0.0150851051,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Lu-Na-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_3a6b_b:Lu-Na-O-Ti, expected NaLuTi2O15 to be NaLuTi2O6" +mp-14726,Na4TiO4,-6.09436043,-2.4307662038,0.0,-0.0600759583,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Na-O-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Na-O-Ti +mp-761683,Na4TiO4,-6.04755348,-2.3839592538,0.04680695,-0.0132690083,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Na-O-Ti,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:Na-O-Ti, expected Na6TiO6 to be Na4TiO4" +mp-754843,Na2Ti2O5,-7.8155907344,-3.0189820482,0.0189829763,0.0189829763,GGA,C2/m,A2B5C2_mC18_12_i_a2i_i:Na-O-Ti,9.0,"Invalid WP multiplicities - A2B5C2_mC18_12_i_a3i_i:Na-O-Ti, expected Na2Ti2O7 to be Na2Ti2O5" +mp-760979,Na2Ti2O5,-7.8034657692,-3.0068570829,0.0311079416,0.0311079416,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Na-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_5e_19e_5e:Na-O-Ti, expected Na5Ti5O19 to be Na2Ti2O5" +mp-762058,Na2Ti2O5,-7.8032448849,-3.0066361986,0.0313288259,0.0313288259,GGA,P2_1/c,A2B5C2_mP72_14_4e_10e_4e:Na-O-Ti,72.0,"Invalid WP multiplicities - A2B5C2_mP72_14_7e_23e_7e:Na-O-Ti, expected Na7Ti7O23 to be Na2Ti2O5" +mp-779477,Na2Ti2O5,-7.80799401,-3.0113853237,0.0265797008,0.0265797008,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Na-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_5e_17e_5e:Na-O-Ti, expected Na5Ti5O17 to be Na2Ti2O5" +mp-773663,Na2Ti2O5,-7.7790980497,-2.9824893634,0.0554756611,0.0554756611,GGA,Pca2_1,A2B5C2_oP36_29_2a_5a_2a:Na-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_oP36_29_3a_9a_3a:Na-O-Ti, expected NaTiO3 to be Na2Ti2O5" +mp-779729,Na2Ti2O5,-7.7989683622,-3.0023596759,0.0356053486,0.0356053486,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Na-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_oP36_33_5a_17a_5a:Na-O-Ti, expected Na5Ti5O17 to be Na2Ti2O5" +mp-781948,Na2Ti2O5,-7.82149034,-3.0248816537,0.0130833708,0.0130833708,GGA,Pbcn,A2B5C2_oP36_60_d_c2d_d:Na-O-Ti,36.0,"Invalid WP multiplicities - A2B5C2_oP36_60_d_2c6d_d:Na-O-Ti, expected NaTiO7 to be Na2Ti2O5" +mp-3488,Na2Ti3O7,-8.24398476,-3.1641224587,0.0,-0.0009661761,GGA,P2_1/m,A2B7C3_mP24_11_2e_7e_3e:Na-O-Ti,24.0,A2B7C3_mP24_11_2e_7e_3e:Na-O-Ti +mp-685431,Na11Ti20O40,-8.2497713154,-3.0339238927,0.0691944599,0.0691944599,GGA,C2/m,A11B40C20_mC142_12_a5i_20i_10i:Na-O-Ti,71.0,"Invalid WP multiplicities - A11B40C20_mC142_12_a8i_38i_18i:Na-O-Ti, expected Na17Ti36O76 to be Na11Ti20O40" +mp-754375,NaTi2O3,-8.104807285,-2.7792113749,0.0542069114,0.0542069114,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Na-O-Ti,6.0,"Invalid WP multiplicities - AB3C2_hP6_164_a_b2d_d:Na-O-Ti, expected NaTi2O5 to be NaTi2O3" +mp-754699,NaTi2O3,-8.0807901,-2.7551941899,0.0782240964,0.0782240964,GGA,P6_3/mcm,AB3C2_hP24_193_d_k_bg:Na-O-Ti,24.0,"Invalid WP multiplicities - AB3C2_hP24_193_d_k_b2g:Na-O-Ti, expected Na2Ti7O6 to be NaTi2O3" +mp-761136,NaTi8O16,-9.0858031192,-3.3404638869,0.0717879114,0.0717879114,GGA,Cm,AB16C8_mC50_8_a_8a4b_4a2b:Na-O-Ti,25.0,"Invalid WP multiplicities - AB16C8_mC50_8_a_8a6b_4a3b:Na-O-Ti, expected NaTi10O20 to be NaTi8O16" +mp-757308,Na7Ti13O26,-8.3214128157,-3.0928697773,0.0187580748,0.0187580748,GGA,P-1,A7B26C13_aP46_2_a3i_13i_c6i:Na-O-Ti,46.0,"Invalid WP multiplicities - A7B26C13_aP46_2_a4i_25i_c10i:Na-O-Ti, expected Na9Ti21O50 to be Na7Ti13O26" +mp-759786,Na2Ti7O15,-8.8355471421,-3.3308044182,0.0099005263,0.0099005263,GGA,P-1,A2B15C7_aP96_2_4i_30i_14i:Na-O-Ti,96.0,"Invalid WP multiplicities - A2B15C7_aP96_2_6i_59i_27i:Na-O-Ti, expected Na6Ti27O59 to be Na2Ti7O15" +mp-1221337,Na2Ti7O15,-8.8325868052,-3.3278440814,0.0128608631,0.0128608631,GGA,Cm,A2B15C7_mC96_8_4a_30a_14a:Na-O-Ti,48.0,A2B15C7_mC96_8_4a_30a_14a:Na-O-Ti +mp-28649,NaTi8O13,-9.1013997732,-3.2471536517,0.0049296034,0.0049296034,GGA,R-3,AB13C8_hR66_148_a_b2f_cf:Na-O-Ti,22.0,AB13C8_hR66_148_a_b2f_cf:Na-O-Ti +mp-1190468,Na4Ti6O13,-8.0957802704,-3.010127813,0.0901877577,0.0901877577,GGA,C2/m,A4B13C6_mC46_12_2i_a6i_3i:Na-O-Ti,23.0,A4B13C6_mC46_12_2i_a6i_3i:Na-O-Ti +mp-1221222,Na3Ti8O16,-8.62535361,-3.207630225,0.0201147451,0.0201147451,GGA,Pm,A3B16C8_mP27_6_2ab_8a8b_4a4b:Na-O-Ti,27.0,A3B16C8_mP27_6_2ab_8a8b_4a4b:Na-O-Ti +mp-760062,Na3Ti8O16,-8.6070043591,-3.1892809741,0.038463996,0.038463996,GGA,Pmmn,A3B16C8_oP54_59_ae_4e2fg_c2ef:Na-O-Ti,54.0,"Invalid WP multiplicities - A3B16C8_oP54_59_2ae_14e6f2g_c7ef:Na-O-Ti, expected Na2Ti9O24 to be Na3Ti8O16" +mp-757853,Na4Ti5O12,-8.0615310021,-3.1030631073,0.0086141598,0.0062966167,GGA,P-1,A4B12C5_aP42_2_4i_12i_5i:Na-O-Ti,42.0,"Invalid WP multiplicities - A4B12C5_aP42_2_8i_24i_8i:Na-O-Ti, expected NaTiO3 to be Na4Ti5O12" +mp-760184,Na4Ti5O12,-8.0338667026,-3.0753988078,0.0362784593,0.0339609162,GGA,C2/c,A4B12C5_mC84_15_aef_6f_c2f:Na-O-Ti,42.0,"Invalid WP multiplicities - A4B12C5_mC84_15_2c2e4f_22f_2a7f:Na-O-Ti, expected Na3Ti4O11 to be Na4Ti5O12" +mp-555678,Na4Ti5O12,-8.0701451619,-3.111677267,0.0,-0.0023175431,GGA,P-3,A4B12C5_hP21_147_cd_2g_a2d:Na-O-Ti,21.0,"Invalid WP multiplicities - A4B12C5_hP21_147_cd_8g_a4d:Na-O-Ti, expected Na4Ti9O48 to be Na4Ti5O12" +mp-774217,Na13Ti24O54,-8.4005564507,-3.1938990043,0.0167317562,0.0167317562,GGA,P1,A13B54C24_aP91_1_13a_54a_24a:Na-O-Ti,91.0,A13B54C24_aP91_1_13a_54a_24a:Na-O-Ti +mp-757603,Na13Ti24O54,-8.4015139685,-3.1948565221,0.0157742384,0.0157742384,GGA,P1,A13B54C24_aP91_1_13a_54a_24a:Na-O-Ti,91.0,A13B54C24_aP91_1_13a_54a_24a:Na-O-Ti +mp-761219,Na8TiO6,-5.1838787503,-1.9734903082,0.0605533237,0.0605533237,GGA,Pna2_1,A8B6C_oP60_33_8a_6a_a:Na-O-Ti,60.0,"Invalid WP multiplicities - A8B6C_oP60_33_29a_21a_a:Na-O-Ti, expected Na29TiO21 to be Na8TiO6" +mp-764647,Na8TiO6,-5.1744439413,-1.9640554992,0.0699881327,0.0699881327,GGA,P6_3cm,A8B6C_hP90_185_2c3d_ab3cd_ab:Na-O-Ti,90.0,"Invalid WP multiplicities - A8B6C_hP90_185_12c27d_a2b16c11d_a2b:Na-O-Ti, expected Na198Ti5O119 to be Na8TiO6" +mp-532249,Na11Ti10O21,-7.454105462,-2.7545063827,0.0359552523,0.0359552523,GGA,P-1,A11B21C10_aP84_2_11i_21i_ab9i:Na-O-Ti,84.0,"Invalid WP multiplicities - A11B21C10_aP84_2_22i_42i_ab17i:Na-O-Ti, expected Na11Ti9O21 to be Na11Ti10O21" +mp-760172,Na7Ti16O32,-8.501645838,-3.1583806002,0.0248968545,0.0248968545,GGA,I-42m,A7B32C16_tI110_121_adi_4i2j_2ij:Na-O-Ti,55.0,"Invalid WP multiplicities - A7B32C16_tI110_121_ad2i_11i3j_6ij:Na-O-Ti, expected Na11Ti32O68 to be Na7Ti16O32" +mp-1221025,NaTi3O6,-8.7155739345,-3.2466605734,0.0116558137,0.0116558137,GGA,P2_1/c,AB6C3_mP80_14_2e_12e_6e:Na-O-Ti,80.0,"Invalid WP multiplicities - AB6C3_mP80_14_7e_44e_22e:Na-O-Ti, expected Na7Ti22O44 to be NaTi3O6" +mp-752423,Na2TiO3,-6.9771195987,-2.7470181425,0.0101507524,0.0101507524,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Ti,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e4f_11f_3e:Na-O-Ti, expected Na12Ti3O22 to be Na2TiO3" +mp-1077081,Na2TiO3,-6.8603294683,-2.6302280121,0.1269408828,0.1269408828,GGA,Immm,A2B3C_oI12_71_e_cf_a:Na-O-Ti,6.0,A2B3C_oI12_71_e_cf_a:Na-O-Ti +mp-777965,Na4Ti11O24,-8.5975363613,-3.1908429657,0.1110097615,0.1110097615,GGA,Cm,A4B24C11_mC78_8_2ab_4a10b_a5b:Na-O-Ti,39.0,"Invalid WP multiplicities - A4B24C11_mC78_8_2ab_4a15b_a9b:Na-O-Ti, expected Na4Ti19O34 to be Na4Ti11O24" +mp-759774,Na6Ti11O24,-8.3317567627,-3.1242910794,0.0589174657,0.0589174657,GGA,Cm,A6B24C11_mC82_8_6a_12a6b_5a3b:Na-O-Ti,41.0,"Invalid WP multiplicities - A6B24C11_mC82_8_6a_12a11b_5a6b:Na-O-Ti, expected Na6Ti17O34 to be Na6Ti11O24" +mp-759473,Na5Ti3O8,-7.0905632969,-2.7235250339,0.0441158801,0.0441158801,GGA,R-3m,A5B8C3_hR48_166_abd_ch_e:Na-O-Ti,16.0,"Invalid WP multiplicities - A5B8C3_hR48_166_ab2d_2c2h_e:Na-O-Ti, expected Na8Ti3O16 to be Na5Ti3O8" +mp-761140,Na4Ti7O16,-8.2871434856,-3.1128633126,0.0910478904,0.0910478904,GGA,Pm,A4B16C7_mP27_6_2ac_4a4b4c_a2b2c:Na-O-Ti,27.0,A4B16C7_mP27_6_2ac_4a4b4c_a2b2c:Na-O-Ti +mp-760863,Na4Ti7O16,-8.3209644426,-3.1466842696,0.0572269333,0.0572269333,GGA,P2/m,A4B16C7_mP27_10_mn_2m2n2o_bceo:Na-O-Ti,27.0,"Invalid WP multiplicities - A4B16C7_mP27_10_m2n_4m4n2o_bcd2o:Na-O-Ti, expected Na6Ti11O24 to be Na4Ti7O16" +mp-28017,Na8Ti5O14,-7.2849069915,-2.8659697919,0.0,-0.0244103949,GGA,P-1,A8B14C5_aP54_2_be7i_14i_5i:Na-O-Ti,54.0,A8B14C5_aP54_2_be7i_14i_5i:Na-O-Ti +mp-754638,Na4Ti3O8,-7.422066222,-2.8520604277,0.0827074572,0.0827074572,GGA,C2/m,A4B8C3_mC30_12_bcf_2ij_ae:Na-O-Ti,15.0,"Invalid WP multiplicities - A4B8C3_mC30_12_bce_4ij_af:Na-O-Ti, expected Na4Ti3O12 to be Na4Ti3O8" +mp-849718,Na2Ti4O9,-8.463085525,-3.2132710547,0.0224711437,0.0224711437,GGA,P1,A2B9C4_aP90_1_12a_54a_24a:Na-O-Ti,90.0,A2B9C4_aP90_1_12a_54a_24a:Na-O-Ti +mp-849730,Na2Ti4O9,-8.4621937592,-3.2123792889,0.0233629094,0.0233629094,GGA,P1,A2B9C4_aP90_1_12a_54a_24a:Na-O-Ti,90.0,A2B9C4_aP90_1_12a_54a_24a:Na-O-Ti +mp-761078,Na9Ti20O40,-8.4829682694,-3.1542709299,0.0203063587,0.0203063587,GGA,I-4,A9B40C20_tI138_82_a2g_10g_5g:Na-O-Ti,69.0,"Invalid WP multiplicities - A9B40C20_tI138_82_a5g_34g_18g:Na-O-Ti, expected Na21Ti72O136 to be Na9Ti20O40" +mp-760372,Na5Ti12O24,-8.5081961317,-3.1404141869,0.0575050107,0.0575050107,GGA,Pm,A5B24C12_mP41_6_2abc_4a4b8c_2a2b4c:Na-O-Ti,41.0,"Invalid WP multiplicities - A5B24C12_mP41_6_2abc_4a4b9c_2a2b6c:Na-O-Ti, expected Na5Ti16O26 to be Na5Ti12O24" +mp-1210307,NaLuTiO4,-8.1900225268,-3.4006335732,0.0291827626,0.0291827626,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Lu-Na-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Lu-Na-O-Ti +mp-1101470,NaTi2O4,-8.3506895971,-3.0792232869,0.0611747779,0.0538267326,GGA,Imm2,AB4C2_oI14_44_a_2a2b_ab:Na-O-Ti,7.0,AB4C2_oI14_44_a_2a2b_ab:Na-O-Ti +mp-29356,NaTi2O4,-8.411864375,-3.1403980647,0.0,-0.0073480452,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Na-O-Ti,28.0,AB4C2_oP28_62_c_4c_2c:Na-O-Ti +mp-1173603,NaTi2O4,-7.8882016364,-2.6167353262,0.5236627386,0.5163146934,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Na-O-Ti,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_16c_7c:Na-O-Ti, expected NaTi7O16 to be NaTi2O4" +mp-752643,NaTi2O4,-8.4025729357,-3.1311066255,0.0092914393,0.0019433941,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Na-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Na-O-Ti +mp-754231,LuTiO3,-9.10655619,-3.6552544559,0.0619414233,0.0619414233,GGA,Pnma,AB3C_oP20_62_c_cd_a:Lu-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Lu-O-Ti, expected LuTiO7 to be LuTiO3" +mp-759333,Na7Ti11O24,-8.218301739,-3.1033346365,0.0227030294,0.0227030294,GGA,C2/m,A7B24C11_mC84_12_cij_2i5j_aeghj:Na-O-Ti,42.0,"Invalid WP multiplicities - A7B24C11_mC84_12_ai3j_4i12j_d2egh4j:Na-O-Ti, expected Na15Ti25O56 to be Na7Ti11O24" +mp-3200,Lu2Ti2O7,-9.1891647777,-3.7837369548,0.0219205625,0.0219205625,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:Lu-O-Ti +mp-760024,NaTi5O10,-9.0031744497,-3.3614949191,0.0,-0.0107816669,GGA,P-1,AB10C5_aP64_2_2i_20i_10i:Na-O-Ti,64.0,"Invalid WP multiplicities - AB10C5_aP64_2_4i_39i_19i:Na-O-Ti, expected Na4Ti19O39 to be NaTi5O10" +mp-675284,Lu2TiO5,-9.0114357653,-3.8025811887,0.1167655537,0.0888772305,GGA,P1,A2B5C_aP64_1_16a_40a_8a:Lu-O-Ti,64.0,A2B5C_aP64_1_16a_40a_8a:Lu-O-Ti +mp-1176507,Lu2TiO5,-9.0644789387,-3.8556243621,0.0637223803,0.035834057,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Lu-O-Ti,,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e4f_c:Lu-O-Ti, expected Lu2TiO10 to be Lu2TiO5" +mp-771031,Lu2TiO5,-9.1282013191,-3.9193467424,0.0,-0.0278883233,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Lu-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Lu-O-Ti, expected Lu5TiO17 to be Lu2TiO5" +mp-771126,Lu2TiO5,-9.1043058769,-3.8954513003,0.0238954422,-0.0039928811,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Lu-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Lu-O-Ti, expected Lu5TiO17 to be Lu2TiO5" +mp-754073,Lu2TiO5,-9.0883435606,-3.879488984,0.0398577584,0.0119694352,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Lu-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Lu-O-Ti, expected Lu2TiO9 to be Lu2TiO5" +mp-1212104,Na3TiO6,-4.7236345580000005,-0.5693145415,1.3622222972,1.3622222972,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Na-O-Ti,10.0,A3B6C_oC20_65_de_kp_a:Na-O-Ti +mp-850957,Na6Ti2O7,-6.4113067203,-2.5211096021,0.0402176781,0.0402176781,GGA,Pc,A6B7C2_mP30_7_6a_7a_2a:Na-O-Ti,30.0,A6B7C2_mP30_7_12a_14a_4a:Na-O-Ti +mp-778492,Na6Ti2O7,-6.372676562,-2.4824794438,0.0788478364,0.0788478364,GGA,C2/m,A6B7C2_mC90_12_i4j_a4i3j_3i:Na-O-Ti,45.0,"Invalid WP multiplicities - A6B7C2_mC90_12_2i7j_a8i5j_5i:Na-O-Ti, expected Na32Ti10O37 to be Na6Ti2O7" +mp-778364,Na6Ti2O7,-6.447233458,-2.5570363398,0.0042909404,0.0042909404,GGA,P2/c,A6B7C2_mP30_13_3g_e3g_g:Na-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mP30_13_11g_2e11g_g:Na-O-Ti, expected Na11TiO12 to be Na6Ti2O7" +mp-777423,Na6Ti2O7,-6.4314957803,-2.5412986621,0.0200286181,0.0200286181,GGA,C2/c,A6B7C2_mC60_15_ae2f_e3f_f:Na-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_2c2e7f_2e9f_f:Na-O-Ti, expected Na9TiO10 to be Na6Ti2O7" +mp-977123,NaTiO3,-7.456027912,-2.6444112232,0.0897572988,0.0897572988,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Ti,5.0,AB3C_cP5_221_a_c_b:Na-O-Ti +mp-757229,Na5Ti16O32,-8.7472577964,-3.2522665229,0.0216239822,0.0216239822,GGA,P1,A5B32C16_aP53_1_5a_32a_16a:Na-O-Ti,53.0,A5B32C16_aP53_1_5a_32a_16a:Na-O-Ti +mp-774527,Na2Ti12O25,-9.0625669042,-3.3944086333,0.0085198904,0.0085198904,GGA,P1,A2B25C12_aP78_1_4a_50a_24a:Na-O-Ti,78.0,A2B25C12_aP78_1_4a_50a_24a:Na-O-Ti +mp-1221293,Na2Ti12O25,-9.059890171,-3.3917319,0.0111966236,0.0111966236,GGA,P2/m,A2B25C12_mP39_10_m_b6m6n_3m3n:Na-O-Ti,39.0,A2B25C12_mP39_10_m_b6m6n_3m3n:Na-O-Ti +mp-752918,NaTi6O12,-8.9989242816,-3.3117799696,0.0719767387,0.0719767387,GGA,P1,AB12C6_aP19_1_a_12a_6a:Na-O-Ti,19.0,AB12C6_aP19_1_a_12a_6a:Na-O-Ti +mp-760359,NaTi6O12,-8.9990527097,-3.3119083977,0.0718483105,0.0718483105,GGA,Pmn2_1,AB12C6_oP38_31_a_4a4b_2a2b:Na-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_oP38_31_a_8a11b_4a7b:Na-O-Ti, expected NaTi18O30 to be NaTi6O12" +mp-1190239,Na6Ti6O13,-7.4909759096,-2.7063736253,0.1878829341,0.1878829341,GGA,C2/m,A6B13C6_mC50_12_3i_a6i_3i:Na-O-Ti,25.0,A6B13C6_mC50_12_3i_a6i_3i:Na-O-Ti +mp-1190392,Na3Ti6O13,-8.443519158600001,-3.1868154665,0.0202738009,0.0202738009,GGA,C2/m,A3B13C6_mC44_12_ai_d6i_3i:Na-O-Ti,22.0,A3B13C6_mC44_12_ai_c6i_3i:Na-O-Ti +mp-5449,Na2Ti6O13,-8.76163885,-3.3175933294,0.0,-0.0084578171,GGA,C2/m,A2B13C6_mC42_12_i_a6i_3i:Na-O-Ti,21.0,A2B13C6_mC42_12_i_a6i_3i:Na-O-Ti +mp-1194316,NaTi3O9,-7.491112315,-2.1427123346,0.5368822775000001,0.5368822775000001,GGA,C2/m,AB9C3_mC52_12_i_9i_3i:Na-O-Ti,,AB9C3_mC52_12_i_9i_3i:Na-O-Ti +mp-17235,Sm2Si2O7,-8.630244125699999,-3.6380050976,0.0,-0.0260652966,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Si-Sm,44.0,A7B2C2_aP44_2_14i_4i_4i:O-Si-Sm +mp-18391,Sm2Si2O7,-8.6085918948,-3.6163528667,0.0216522309,-0.0044130657,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Si-Sm,44.0,A7B2C2_mP44_14_7e_2e_2e:O-Si-Sm +mp-21794,Sm2Si2O7,-8.6154941276,-3.6232550995,0.0147499981,-0.0113152985,GGA,P4_1,A7B2C2_tP88_76_14a_4a_4a:O-Si-Sm,88.0,"Invalid WP multiplicities - A7B2C2_tP88_76_53a_16a_13a:O-Si-Sm, expected Sm13Si16O53 to be Sm2Si2O7" +mp-1208880,Sm2SiO5,-8.690396925,-3.740905193,0.0,-0.0326779873,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Si-Sm,32.0,A5BC2_mP32_14_5e_e_2e:O-Si-Sm +mp-978506,SmSiO3,-7.834020336,-2.8372262763,0.6600386046000001,0.6600386046000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Sm,5.0,A3BC_cP5_221_c_b_a:O-Si-Sm +mp-772900,Sm2TeO6,-7.6731457606,-2.9775223794,0.0,-0.2348423043,GGA,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Sm-Te,36.0,"Invalid WP multiplicities - A6B2C_oP36_19_21a_5a_a:O-Sm-Te, expected Sm5TeO21 to be Sm2TeO6" +mp-755374,Sm2TeO6,-7.574106145,-2.8784827638,0.0990396156,-0.1358026888,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Sm-Te,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2f3j_e_a:O-Sm-Te, expected Sm2TeO16 to be Sm2TeO6" +mp-778052,Sm2TeO6,-7.6536472978,-2.9580239166,0.0194984628,-0.2153438415,GGA,P321,A6B2C_hP27_150_3g_ef_ad:O-Sm-Te,27.0,"Invalid WP multiplicities - A6B2C_hP27_150_15g_3e2f_a2d:O-Sm-Te, expected Sm3TeO18 to be Sm2TeO6" +mp-16033,Sm2TeO2,-7.773760262,-3.2789891448,0.0,-0.1392846313,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:O-Sm-Te,5.0,A2B2C_tI10_139_d_e_a:O-Sm-Te +mp-3073,Sm2Te4O11,-6.7832455412,-2.2877177961,0.0,-0.0515805753,GGA,C2/c,A11B2C4_mC68_15_e5f_f_2f:O-Sm-Te,34.0,"Invalid WP multiplicities - A11B2C4_mC68_15_e6f_f_2f:O-Sm-Te, expected Sm2Te4O13 to be Sm2Te4O11" +mp-16981,Sm5Si3O13,-8.5792843831,-3.6185301921,0.0643654028,0.0643654028,GGA,P6_3/m,A13B3C5_hP42_176_a2hi_h_fh:O-Si-Sm,42.0,A13B3C5_hP42_176_a2hi_h_fh:O-Si-Sm +mp-17812,Sm2SiTeO4,-7.9948322675,-3.2707633877,0.0073449604,0.0073449604,GGA,P2_1/c,A4BC2D_mP32_14_4e_e_2e_e:O-Si-Sm-Te,32.0,"Invalid WP multiplicities - A4BC2D_mP32_14_7e_e_2e_e:O-Si-Sm-Te, expected Sm2SiTeO7 to be Sm2SiTeO4" +mp-6055,Sm2SiTeO4,-8.0021753397,-3.2781064599,1.8882e-06,1.8882e-06,GGA,Pbcm,A4BC2D_oP32_57_2e_c_cd_d:O-Si-Sm-Te,32.0,A4BC2D_oP32_57_2e_c_cd_d:O-Si-Sm-Te +mp-1208437,Tb5Si3O13,-8.5875600255,-3.6468582238,0.0772898431,0.0772898431,GGA,P6_3/m,A13B3C5_hP42_176_a2hi_h_fh:O-Si-Tb,42.0,A13B3C5_hP42_176_a2hi_h_fh:O-Si-Tb +mp-555097,Tb3Si2Cl5O6,-7.2126209412,-3.2328365708,0.0,-0.0125637291,GGA,C2/m,A5B6C2D3_mC64_12_3ij_gi2j_j_ej:Cl-O-Si-Tb,32.0,"Invalid WP multiplicities - A5B6C2D3_mC64_12_6i3j_2g2i5j_j_2f3j:Cl-O-Si-Tb, expected Tb4SiCl6O7 to be Tb3Si2Cl5O6" +mp-1187364,TbSiO3,-7.797072692,-2.8171226393,0.7094974340000001,0.7094974340000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Tb,5.0,A3BC_cP5_221_c_b_a:O-Si-Tb +mp-1208518,Tb2SiO5,-8.7143122881,-3.7858755648,0.0,-0.0254309248,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Si-Tb,32.0,A5BC2_mP32_14_5e_e_2e:O-Si-Tb +mp-17308,Tb2Si2O7,-8.6355987441,-3.6586724497,0.0,-0.0140269236,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Si-Tb,44.0,A7B2C2_aP44_2_14i_4i_4i:O-Si-Tb +mp-1177654,Li3MgTi8O16,-8.5553404721,-3.2111260377,0.0335725582,0.0335725582,GGA,R3m,A3BC16D8_hR84_160_3a_a_4a4b_2a2b:Li-Mg-O-Ti,28.0,"Invalid WP multiplicities - A3BC16D8_hR84_160_3a_a_4a4b_2a3b:Li-Mg-O-Ti, expected Li3MgTi11O16 to be Li3MgTi8O16" +mp-1021358,LiMg6Ti,-2.312097645,0.1136642529,0.1485509006,0.1485509006,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Ti, expected LiMg12Ti to be LiMg6Ti" +mp-1021359,LiMg6Ti,-2.3165405494,0.1092213485,0.1441079962,0.1441079962,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Ti, expected LiMg12Ti to be LiMg6Ti" +mp-1026641,LiMg14Ti,-1.9603686869,0.0526522871,0.0834710351,0.0834710351,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Ti, expected LiMg18Ti to be LiMg14Ti" +mp-1026633,LiMg14Ti,-1.9678346206,0.0451863533,0.0760051014,0.0760051014,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Ti, expected LiMg26Ti to be LiMg14Ti" +mp-1031344,LiMg6TiO8,-6.67844742,-2.9922221154,0.0433063828,0.0433063828,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Li-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Li-Mg-O-Ti, expected LiMg6TiO12 to be LiMg6TiO8" +mp-1031369,LiMg6TiO8,-6.6589246387,-2.9726993342,0.0628291641,0.0628291641,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Li-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Li-Mg-O-Ti, expected LiMg6TiO12 to be LiMg6TiO8" +mp-767086,Li5MgTi12O24,-8.5713126533,-3.2234238997,0.02202097,0.02202097,GGA,P3m1,A5BC24D12_hP42_156_2a2bc_a_2a2b2c6d_b2c3d:Li-Mg-O-Ti,42.0,"Invalid WP multiplicities - A5BC24D12_hP42_156_2a2bc_a_2a2b2c10d_b2c7d:Li-Mg-O-Ti, expected Li5MgTi24O36 to be Li5MgTi12O24" +mp-1095705,LiMg30TiO32,-6.4133684909,-3.0366988793,0.0127134698,0.0127134698,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Li-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Li-Mg-O-Ti, expected LiMg90TiO80 to be LiMg30TiO32" +mp-1040361,LiMg30TiO32,-6.4091881448,-3.0325185332,0.0168938159,0.0168938159,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Li-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Li-Mg-O-Ti, expected LiMg110TiO72 to be LiMg30TiO32" +mp-772783,Li2Mg3Ti6O16,-8.3078314469,-3.302695989,0.0165622549,0.0165622549,GGA,P2_1,A2B3C16D6_mP54_4_2a_3a_16a_6a:Li-Mg-O-Ti,54.0,"Invalid WP multiplicities - A2B3C16D6_mP54_4_3a_4a_30a_10a:Li-Mg-O-Ti, expected Li3Mg4Ti10O30 to be Li2Mg3Ti6O16" +mp-758770,Li2Mg3Ti6O16,-8.3097653741,-3.3046299162,0.0146283277,0.0146283277,GGA,P2_1,A2B3C16D6_mP54_4_2a_3a_16a_6a:Li-Mg-O-Ti,54.0,"Invalid WP multiplicities - A2B3C16D6_mP54_4_2a_4a_30a_10a:Li-Mg-O-Ti, expected LiMg2Ti5O15 to be Li2Mg3Ti6O16" +mp-1222649,Li2MgTi3O8,-8.1067833671,-3.2012039726,0.0383944459,0.0353994525,GGA,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Mg-O-Ti,14.0,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Mg-O-Ti +mp-774752,Li2MgTi3O8,-8.145177813,-3.2395984185,0.0,-0.0029949934,GGA,P2_13,A2BC8D3_cP56_198_2a_a_2a2b_b:Li-Mg-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_198_5a_a_8a21b_b:Li-Mg-O-Ti, expected Li5MgTi3O71 to be Li2MgTi3O8" +mp-1222757,Li2MgTi9O20,-8.8687417728,-3.3871377679,0.000335056,0.000335056,GGA,Pm,A2BC20D9_mP32_6_ab_a_2a2b8c_b4c:Li-Mg-O-Ti,32.0,"Invalid WP multiplicities - A2BC20D9_mP32_6_ab_a_2a2b16c_b8c:Li-Mg-O-Ti, expected Li2MgTi17O36 to be Li2MgTi9O20" +mp-1034182,LiMg14TiO16,-6.498169325,-3.0183144824,0.0264699164,0.0264699164,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Li-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Li-Mg-O-Ti, expected LiMg18TiO20 to be LiMg14TiO16" +mp-1034187,LiMg14TiO16,-6.4921231666,-3.012268324,0.0325160748,0.0325160748,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Li-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Li-Mg-O-Ti, expected LiMg30TiO32 to be LiMg14TiO16" +mp-773055,Li3Mg3Ti6O16,-8.1361981518,-3.241641715,0.0144359795,0.0144359795,GGA,P2_1,A3B3C16D6_mP56_4_3a_3a_16a_6a:Li-Mg-O-Ti,56.0,"Invalid WP multiplicities - A3B3C16D6_mP56_4_4a_4a_30a_10a:Li-Mg-O-Ti, expected Li2Mg2Ti5O15 to be Li3Mg3Ti6O16" +mp-38102,Na3CeF7,-5.6194401,-3.5029839357,0.0,-0.0109271982,GGA,Cm,AB7C3_mC22_8_a_3a2b_ab:Ce-F-Na,11.0,"Invalid WP multiplicities - AB7C3_mC22_8_a_3a4b_a2b:Ce-F-Na, expected Na5CeF11 to be Na3CeF7" +mp-1078913,Rb3CeF6,-5.483743982,-3.4493874643,0.0338935828,0.0338935828,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-F-Rb,10.0,AB6C3_cF40_225_a_e_bc:Ce-F-Rb +mp-1209496,RbCeF4,-6.3156992779,-3.8891094283,0.0,-0.0580001031,GGA,Pnma,AB4C_oP24_62_c_4c_c:Ce-F-Rb,24.0,AB4C_oP24_62_c_4c_c:Ce-F-Rb +mp-1205754,Na2CeF6,-5.8425122833,-3.6150663337,0.0,-0.0088706457,GGA,P321,AB6C2_hP9_150_a_ef_d:Ce-F-Na,9.0,AB6C2_hP9_150_a_ef_d:Ce-F-Na +mp-1110664,Rb2NaCeF6,-5.569852987,-3.5012973472,0.0,-0.0052212843,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-F-Na-Rb +mp-1113081,Cs2LiScF6,-5.695175325,-3.5450682729,0.022663993,0.022663993,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Sc +mp-560890,Li3ScF6,-5.9662122985,-3.6134011475,0.0055381995,0.0055381995,GGA,P-3c1,A6B3C_hP60_165_3g_fg_bd:F-Li-Sc,60.0,"Invalid WP multiplicities - A6B3C_hP60_165_26g_3f4g_2b3d:F-Li-Sc, expected Li33Sc8F156 to be Li3ScF6" +mp-1111282,Li3ScF6,-5.732856155,-3.380045004,0.238894343,0.238894343,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Sc,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Sc +mp-559598,LiScF4,-6.5354111342,-3.8875264939,0.0334093525,0.0334093525,GGA,I4_1/a,A4BC_tI24_88_f_a_b:F-Li-Sc,12.0,A4BC_tI24_88_f_a_b:F-Li-Sc +mp-1211128,LiScF2,-5.5363471481,-2.5202596715,0.4955231177,0.4955231177,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Sc,16.0,A2BC_tI32_141_h_c_d:F-Li-Sc +mp-8189,LiReO3,-7.945042249,-2.1063390119,0.0748485083,0.0748485083,GGA,R3c,AB3C_hR30_161_a_b_a:Li-O-Re,10.0,AB3C_hR30_161_a_b_a:Li-O-Re +mp-1182734,Li2Re2O11,-6.8833919723,-1.3420269104,0.5094521513,0.5094521513,GGA,P2_1/c,A2B11C2_mP120_14_4e_22e_4e:Li-O-Re,120.0,A2B11C2_mP120_14_4e_22e_4e:Li-O-Re +mp-5061,Li5ReO6,-6.6147969608,-2.3090241453,0.0,-0.1208387258,GGA,C2/m,A5B6C_mC24_12_agh_ij_d:Li-O-Re,12.0,A5B6C_mC24_12_agh_ij_d:Li-O-Re +mp-554540,Li5ReO6,-6.6147408186,-2.3089680031,5.61422e-05,-0.1207825836,GGA,P3_112,A5B6C_hP36_151_2a3b_3c_a:Li-O-Re,36.0,"Invalid WP multiplicities - A5B6C_hP36_151_6a8b_13c_a:Li-O-Re, expected Li14ReO26 to be Li5ReO6" +mp-540946,LiReO4,-8.0043829767,-2.3143488272,0.0,-0.1741461436,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Li-O-Re,36.0,AB4C_aP36_2_3i_12i_3i:Li-O-Re +mp-686110,Li(ReO3)5,-8.7121024835,-2.124869652,0.0284198404,0.0284198404,GGA,P-1,AB15C5_aP84_2_2i_30i_acfh8i:Li-O-Re,84.0,"Invalid WP multiplicities - AB15C5_aP84_2_4i_59i_acfh16i:Li-O-Re, expected Li4Re18O59 to be Li(ReO3)5" +mp-756519,Li(ReO3)4,-8.6576932729,-2.1254993823,0.0317782307,0.0317782307,GGA,Immm,AB12C4_oI34_71_a_lmn_k:Li-O-Re,17.0,"Invalid WP multiplicities - AB12C4_oI34_71_a_2l2m3n_k:Li-O-Re, expected Li(ReO7)4 to be Li(ReO3)4" +mp-1193645,LiReO5,-7.2233188929,-1.6394769489,0.3442506173,0.3442506173,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Li-O-Re,28.0,AB5C_mP28_14_e_5e_e:Li-O-Re +mp-1190023,LiLa2ReO6,-8.409434219,-3.0188745661,0.062061395,0.062061395,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Li-O-Re,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Li-O-Re +mp-556288,Li2ReO3,-7.121198405,-1.937458563,0.2077762895,0.2077762895,GGA,R-3c,A2B3C_hR36_167_c_e_b:Li-O-Re,12.0,A2B3C_hR36_167_c_e_b:Li-O-Re +mp-1113706,Rb2LiPdF6,-4.55767698,-2.5058023173,0.0415997978,0.0415997978,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Pd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Pd-Rb +mp-654129,GaAg(PSe3)2,-4.2715863464,-0.5053137559,0.0,-0.0254757287,GGA,Pbca,ABC2D6_oP80_61_c_c_2c_6c:Ag-Ga-P-Se,80.0,"Invalid WP multiplicities - ABC2D6_oP80_61_c_c_10c_47c:Ag-Ga-P-Se, expected GaAgP10Se47 to be GaAg(PSe3)2" +mp-7008,GaAg(PSe3)2,-4.255440429,-0.4891678385,0.0161459174,-0.0093298113,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Ag-Ga-P-Se,20.0,ABC2D6_hP20_163_c_a_f_i:Ag-Ga-P-Se +mp-1178697,YCu3PbSe4,-4.7131683267,-0.6620145373,0.2545392176,0.2545392176,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-Y,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-Y +mp-646750,Y5CuPb3,-5.7907109367,-0.5052105537,0.0281714171,0.0281714171,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Pb-Y,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_3d3g:Cu-Pb-Y, expected Y15CuPb3 to be Y5CuPb3" +mp-1216359,Y4Cu19Pb,-4.623473105,-0.1458290111,0.0474566385,0.0474566385,GGA,R3m,A19BC4_hR72_160_7a4b_a_4a:Cu-Pb-Y,,"Invalid WP multiplicities - A19BC4_hR72_160_7a12b_a_4a:Cu-Pb-Y, expected Y4Cu43Pb to be Y4Cu19Pb" +mp-1217430,Y20Cu6(Pb3Se14)3,-5.9478795697,-1.6080514142,0.0246829698,0.0246829698,GGA,P1,A6B9C42D20_aP77_1_6a_9a_42a_20a:Cu-Pb-Se-Y,77.0,A6B9C42D20_aP77_1_6a_9a_42a_20a:Cu-Pb-Se-Y +mp-20865,YCuPb,-5.1642362583,-0.4047946406,0.0,-0.0479866989,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Pb-Y,6.0,ABC_hP6_186_b_b_a:Cu-Pb-Y +mp-726692,Li2OsO6,-6.4007832778,-1.4313004521,0.1784887067,0.1784887067,GGA,C2/c,A2B6C_mC36_15_ce_3f_e:Li-O-Os,18.0,A2B6C_mC36_15_ce_3f_e:Li-O-Os +mp-1078358,LiOsO3,-7.340590436,-1.7453191499,0.0,-0.0450730875,GGA,R3c,AB3C_hR30_161_a_b_a:Li-O-Os,10.0,AB3C_hR30_161_a_b_a:Li-O-Os +mp-1078188,LiOsO3,-7.334649332,-1.7393780459,0.005941104,-0.0391319835,GGA,R-3c,AB3C_hR30_167_a_e_b:Li-O-Os,10.0,AB3C_hR30_167_a_e_b:Li-O-Os +mp-1211132,Li5OsO6,-6.25164608,-2.0473032441,0.0001689478,-0.1581014117,GGA,C2/m,A5B6C_mC24_12_agh_ij_d:Li-O-Os,12.0,A5B6C_mC24_12_agh_ij_c:Li-O-Os +mp-1211187,Li5OsO6,-6.2518150278,-2.0474721919,0.0,-0.1582703594,GGA,P3_112,A5B6C_hP36_151_2a3b_3c_a:Li-O-Os,36.0,A5B6C_hP36_151_2a3b_3c_a:Li-O-Os +mp-977391,LiNd2Os,-5.7480440325,-0.0798977421,0.0,-0.001690801,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Nd-Os,4.0,AB2C_cF16_225_a_c_b:Li-Nd-Os +mp-17666,Nd3OsO7,-8.5616620905,-3.0926956626,0.0,-0.0256984955,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Nd-O-Os,22.0,A3B7C_oC44_63_ag_cgh_b:Nd-O-Os +mp-541640,Nd4Os6O19,-8.4821900583,-2.2606769609,0.0,-0.0072017266,GGA,I23,A4B19C6_cI58_197_c_adf_e:Nd-O-Os,29.0,A4B19C6_cI58_197_c_adf_e:Nd-O-Os +mp-621994,NdOsO4,-8.4346141596,-2.4709025417,0.0,-0.0181116924,GGA,Pna2_1,AB4C_oP48_33_2a_8a_2a:Nd-O-Os,48.0,"Invalid WP multiplicities - AB4C_oP48_33_5a_30a_6a:Nd-O-Os, expected Nd5(OsO5)6 to be NdOsO4" +mp-12450,LiNd2OsO6,-8.054690032,-2.8194182891,0.0,-0.0318061994,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Li-Nd-O-Os,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_4e_b:Li-Nd-O-Os, expected LiNd2OsO8 to be LiNd2OsO6" +mp-34375,Li7OsO6,-5.8749629514,-1.998537254,0.0124946229,0.0124946229,GGA,P1,A7B6C_aP14_1_7a_6a_a:Li-O-Os,14.0,A7B6C_aP14_1_7a_6a_a:Li-O-Os +mp-704943,Li2Mn3ZnO8,-7.1714830832,-2.0188298754,0.0,-0.024844585,GGA+U,P2_13,A2B3C8D_cP56_198_2a_b_2a2b_a:Li-Mn-O-Zn,56.0,"Invalid WP multiplicities - A2B3C8D_cP56_198_5a_b_8a14b_a:Li-Mn-O-Zn, expected Li5Mn3ZnO50 to be Li2Mn3ZnO8" +mp-1190617,Dy2Mn12P7,-8.188816389,-0.7102033066,0.0,-0.0362610782,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Mn-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Mn-P +mp-1195036,DyMnCu4P3,-5.6216811397,-0.4655104362,0.0507289282,0.0507289282,GGA,Pnma,A4BCD3_oP36_62_4c_c_c_3c:Cu-Dy-Mn-P,36.0,A4BCD3_oP36_62_4c_c_c_3c:Cu-Dy-Mn-P +mp-1225338,Dy4Cu5P7,-5.6115564075,-0.8105377665,0.0266015193,0.0266015193,GGA,I-42m,A5B4C7_tI32_121_ade_i_bci:Cu-Dy-P,16.0,A5B4C7_tI32_121_ade_i_bci:Cu-Dy-P +mp-1191383,Dy2Mn3Cu9P7,-5.7291914771,-0.4203535184,0.0808354622,0.0808354622,GGA,P-6,A9B2C3D7_hP21_174_2jk_ad_k_ejk:Cu-Dy-Mn-P,21.0,A9B2C3D7_hP21_174_2jk_ad_k_ejk:Cu-Dy-Mn-P +mp-1204655,SrSbSe3,-4.5053147227,-1.2440688975,0.0,-0.0553665775,GGA,P2_12_12_1,AB3C_oP80_19_4a_12a_4a:Sb-Se-Sr,80.0,AB3C_oP80_19_4a_12a_4a:Sb-Se-Sr +mp-556194,SrSbSe2F,-4.932560583,-1.9882012598,0.0106047935,0.0106047935,GGA,P4/nmm,ABC2D_tP10_129_a_c_2c_c:F-Sb-Se-Sr,10.0,"Invalid WP multiplicities - ABC2D_tP10_129_a_c_3c_c:F-Sb-Se-Sr, expected SrSbSe3F to be SrSbSe2F" +mp-16903,SrSbF5,-5.5637676182,-3.367211971,0.0,-0.0174827811,GGA,Pbcm,A5BC_oP28_57_d2e_d_c:F-Sb-Sr,28.0,A5BC_oP28_57_d2e_d_c:F-Sb-Sr +mp-12932,TbTaO4,-9.7803709525,-3.7338878567,0.0,-0.0796965997,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Ta-Tb,12.0,A4BC_mP12_13_2g_e_f:O-Ta-Tb +mp-756076,TbTaO4,-9.7618209775,-3.7153378817,0.018549975,-0.0611466247,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Ta-Tb,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:O-Ta-Tb, expected TbTaO11 to be TbTaO4" +mp-554593,TbTaO4,-9.7751587092,-3.7286756133,0.0052122433,-0.0744843564,GGA,C2/c,A4BC_mC24_15_2f_e_e:O-Ta-Tb,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_e:O-Ta-Tb, expected TbTaO14 to be TbTaO4" +mp-1205605,TbEu2TaO6,-10.13405037,-3.4654224102,0.0720247994,0.0720247994,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Tb +mp-1101314,Tb3TaO7,-9.3461613032,-3.8563706751,0.0,-0.0086393628,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Ta-Tb,22.0,"Invalid WP multiplicities - A7BC3_oC44_20_6b3c_a_a2c:O-Ta-Tb, expected Tb5TaO12 to be Tb3TaO7" +mp-754550,Tb3TaO7,-9.3239474968,-3.8341568688,0.0222138064,0.0135744435,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Ta-Tb,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c2g2h_a_b2g:O-Ta-Tb, expected Tb5TaO13 to be Tb3TaO7" +mp-997499,TbTa3O9,-9.9923490927,-3.4748185241,0.0450808865,0.0450808865,GGA,C2,A9B3C_mC52_5_ab8c_3c_c:O-Ta-Tb,26.0,"Invalid WP multiplicities - A9B3C_mC52_12_ad3i7j_5i_i:O-Ta-Tb, expected TbTa5O18 to be TbTa3O9" +mp-1101372,TbTa3O9,-9.9929188896,-3.4753883211,0.0445110896,0.0445110896,GGA,C2/m,A9B3C_mC52_12_ad2i3j_3i_i:O-Ta-Tb,26.0,"Invalid WP multiplicities - A9B3C_mC52_12_ad3i7j_5i_i:O-Ta-Tb, expected TbTa5O18 to be TbTa3O9" +mp-1112411,Rb2AlHgF6,-4.717381049,-2.9694612345,0.1046372111,0.1046372111,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Rb +mp-18084,BaTb2ZnO5,-7.3834459361,-3.2522354576,0.01287099,0.01287099,GGA,Pnma,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Tb-Zn,36.0,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Tb-Zn +mp-17355,Sr3GdRhO6,-8.0059857359,-2.8978909416,0.0,-0.0298541664,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Gd-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Gd-O-Rh-Sr +mp-1184503,GdRhO3,-9.328475658,-2.0723764093,0.4246224907,0.4246224907,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Gd-O-Rh,5.0,AB3C_cP5_221_a_c_b:Gd-O-Rh +mp-768877,Sn2Ge2O7,-6.6872915552,-1.9698351553,0.0386466899,0.0386466899,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ge-O-Sn,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Ge-O-Sn, expected Sn7Ge7O27 to be Sn2Ge2O7" +mp-1198905,Cs12Sn8GeO4,-3.5555503791,-0.8663029389,0.0011602252,0.0011602252,GGA,P2_1/c,A12BC4D8_mP100_14_12e_e_4e_8e:Cs-Ge-O-Sn,100.0,A12BC4D8_mP100_14_12e_e_4e_8e:Cs-Ge-O-Sn +mp-1043041,Sn(GeO3)2,-6.8154907972,-2.0448508158,0.0432066265,0.0432066265,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-Sn,36.0,A2B6C_mP36_14_2e_6e_e:Ge-O-Sn +mp-1042873,Sn(GeO3)2,-6.8164958617,-2.0458558803,0.042201562,0.042201562,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ge-O-Sn,18.0,A2B6C_mC36_15_f_3f_e:Ge-O-Sn +mp-769144,SnGeO3,-6.60144247,-1.9069093013,0.0,-0.0080212437,GGA,P2/c,AB3C_mP60_13_3g_af8g_3g:Ge-O-Sn,60.0,"Invalid WP multiplicities - AB3C_mP60_13_11g_2a2f31g_9g:Ge-O-Sn, expected Sn9(GeO3)11 to be SnGeO3" +mp-1101394,SnGeO3,-6.498422442,-1.8038892733,0.103020028,0.0949987843,GGA,R-3,AB3C_hR30_148_c_f_c:Ge-O-Sn,10.0,AB3C_hR30_148_c_f_c:Ge-O-Sn +mp-1187065,SnGeO3,-6.328173208,-1.6336400392,0.273269262,0.2652480183,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Sn,5.0,AB3C_cP5_221_b_c_a:Ge-O-Sn +mp-540707,Cs2Sn(GeO3)3,-6.445824427,-2.166513856,0.0,-0.0896709984,GGA,P6_3/m,A2B3C9D_hP30_176_f_h_hi_b:Cs-Ge-O-Sn,30.0,A2B3C9D_hP30_176_f_h_hi_b:Cs-Ge-O-Sn +mp-1218078,Ta6Cr3Fe3C2,-10.6015171525,-0.3177169521,0.0134075648,0.0134075648,GGA,Imm2,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Fe-Ta,28.0,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Fe-Ta +mp-867779,Ta2CrFe,-10.590012245,-0.13035626,0.0113818756,0.0113818756,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Fe-Ta,4.0,ABC2_cF16_225_a_b_c:Cr-Fe-Ta +mp-772938,Li2Ta4O11,-9.4026739324,-3.187230869,0.0299541891,0.0299541891,GGA,R-3c,A2B11C4_hR102_167_c_cef_be:Li-O-Ta,34.0,"Invalid WP multiplicities - A2B11C4_hR102_167_c_4c4e5f_2b3e:Li-O-Ta, expected Li2Ta11O50 to be Li2Ta4O11" +mp-675379,Li2Ta2O3,-7.9258967293,-1.8725442826,0.5297930376000001,0.5297930376000001,GGA,P1,A2B3C2_aP14_1_4a_6a_4a:Li-O-Ta,14.0,A2B3C2_aP14_1_4a_6a_4a:Li-O-Ta +mp-851102,LiTa3O8,-9.6531320351,-3.2318182479,0.0225471974,0.0177755724,GGA,Pm,AB8C3_mP96_6_4a4b_12a12b20c_12c:Li-O-Ta,96.0,"Invalid WP multiplicities - AB8C3_mP96_6_4a4b_12a12b22c_13c:Li-O-Ta, expected Li4Ta13O34 to be LiTa3O8" +mp-7638,LiTa3O8,-9.6756792325,-3.2543654453,0.0,-0.004771625,GGA,C2/c,AB8C3_mC48_15_e_4f_ef:Li-O-Ta,24.0,AB8C3_mC48_15_e_4f_ef:Li-O-Ta +mp-863362,LiTa3O8,-9.6538835745,-3.2325697873,0.021795658,0.017024033,GGA,Pmn2_1,AB8C3_oP96_31_4a_12a10b_6b:Li-O-Ta,96.0,"Invalid WP multiplicities - AB8C3_oP96_31_8a_24a22b_13b:Li-O-Ta, expected Li4Ta13O34 to be LiTa3O8" +mp-757158,LiTa3O8,-9.637805366,-3.2164915788,0.0378738665,0.0331022415,GGA,Pmma,AB8C3_oP48_51_j_ae2f4i2j_2e2i:Li-O-Ta,48.0,AB8C3_oP48_51_j_ae2f4i2j_2e2i:Li-O-Ta +mp-559908,LiTa3O8,-9.6616961214,-3.2403823341,0.0139831111,0.0092114861,GGA,Pmmn,AB8C3_oP96_59_2e_2a2bc4ef4g_2f2g:Li-O-Ta,96.0,"Invalid WP multiplicities - AB8C3_oP96_59_4e_4a4b4c14e4f27g_4f11g:Li-O-Ta, expected Li2Ta13O40 to be LiTa3O8" +mp-1222344,LiTaGeO5,-8.1502356094,-2.7598391209,0.0011436353,-0.0244806867,GGA,Cc,ABC5D_mC32_9_a_a_5a_a:Ge-Li-O-Ta,16.0,"Invalid WP multiplicities - ABC5D_mC32_9_a_a_7a_a:Ge-Li-O-Ta, expected LiTaGeO7 to be LiTaGeO5" +mp-560104,LiTaGeO5,-8.1513792447,-2.7609827562,0.0,-0.025624322,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Ge-Li-O-Ta,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_16e_e:Ge-Li-O-Ta, expected LiTaGeO16 to be LiTaGeO5" +mp-6478,LiTaGeO5,-8.1484467681,-2.7580502796,0.0029324766,-0.0226918454,GGA,C2/c,ABC5D_mC32_15_e_e_e2f_a:Ge-Li-O-Ta,16.0,"Invalid WP multiplicities - ABC5D_mC32_15_e_e_e4f_c:Ge-Li-O-Ta, expected LiTaGeO9 to be LiTaGeO5" +mp-1105280,LiTaO3,-8.7388514435,-3.0174981174,0.1104540115,0.0758219091,GGA,Pnma,AB3C_oP20_62_a_cd_c:Li-O-Ta,20.0,AB3C_oP20_62_a_cd_c:Li-O-Ta +mp-1105326,LiTaO3,-8.5946519535,-2.8732986274,0.2546535015,0.2200213991,GGA,Pnma,AB3C_oP20_62_a_cd_c:Li-O-Ta,20.0,AB3C_oP20_62_a_cd_c:Li-O-Ta +mp-1105216,LiTaO3,-8.701202891,-2.9798495649000003,0.148102564,0.1134704616,GGA,Cmcm,AB3C_oC20_63_a_ce_c:Li-O-Ta,10.0,AB3C_oC20_63_a_ce_c:Li-O-Ta +mp-754345,LiTaO3,-8.760660486,-3.0393071599,0.088644969,0.0540128666,GGA,P4/mbm,AB3C_tP10_127_c_bg_a:Li-O-Ta,10.0,"Invalid WP multiplicities - AB3C_tP10_127_c_2b2g_a:Li-O-Ta, expected LiTaO6 to be LiTaO3" +mp-3666,LiTaO3,-8.849305455,-3.1279521289,0.0,-0.0346321024,GGA,R3c,AB3C_hR30_161_a_b_a:Li-O-Ta,10.0,AB3C_hR30_161_a_b_a:Li-O-Ta +mp-1101376,Ta2Ge2O7,-8.7364876968,-2.5920847924,0.0978359702,0.0978359702,GGA,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:Ge-O-Ta,22.0,A2B7C2_oC44_36_4a_14a_4a:Ge-O-Ta +mp-558294,Li3TaO4,-7.5226399848,-2.8512273504000003,0.000524548,-0.0485669714,GGA,P2/c,A3B4C_mP48_13_e2f3g_6g_eg:Li-O-Ta,48.0,"Invalid WP multiplicities - A3B4C_mP48_13_2e4f10g_22g_2e3g:Li-O-Ta, expected Li13Ta4O22 to be Li3TaO4" +mp-3151,Li3TaO4,-7.5231645328,-2.8517518984,0.0,-0.0490915194,GGA,C2/c,A3B4C_mC64_15_3f_4f_f:Li-O-Ta,32.0,A3B4C_mC64_15_3f_4f_f:Li-O-Ta +mp-35417,Li3TaO4,-7.4589554275,-2.7875427931,0.0642091053,0.0151175859,GGA,I4/mmm,A3B4C_tI16_139_ad_ce_b:Li-O-Ta,8.0,"Invalid WP multiplicities - A3B4C_tI16_139_ad_2c2e_b:Li-O-Ta, expected Li3TaO8 to be Li3TaO4" +mp-1223302,Li7Ta24O64,-9.6956373656,-3.2268247266,0.0194883808,0.0194883808,GGA,Pm,A7B64C24_mP95_6_3a4b_12a12b20c_12c:Li-O-Ta,95.0,"Invalid WP multiplicities - A7B64C24_mP95_6_3a4b_12a12b38c_20c:Li-O-Ta, expected Li7Ta40O100 to be Li7Ta24O64" +mp-1222700,Li3Ta12O31,-9.7485392796,-3.1970729707,0.0606371882,0.0606371882,GGA,Pm,A3B31C12_mP46_6_3a_11a20b_12b:Li-O-Ta,46.0,A3B31C12_mP46_6_3a_11a20b_12b:Li-O-Ta +mp-1236149,LiTa4O12,-9.2467966841,-2.8526615123,0.1314601314,0.1314601314,GGA,Im-3,AB12C4_cI34_204_a_g_c:Li-O-Ta,17.0,AB12C4_cI34_204_a_g_c:Li-O-Ta +mp-1222573,LiTa6O15,-9.8753144952,-3.1818636173,0.0794953201,0.0794953201,GGA,Pmc2_1,AB15C6_oP44_26_a_5a10b_6b:Li-O-Ta,44.0,"Invalid WP multiplicities - AB15C6_oP44_26_a_6a14b_8b:Li-O-Ta, expected LiTa8O20 to be LiTa6O15" +mp-1222341,LiTa2O6,-9.09573867,-2.9507819595,0.0876705953,0.0876705953,GGA,R3,AB6C2_hR27_146_a_2b_2a:Li-O-Ta,9.0,AB6C2_hR27_146_a_2b_2a:Li-O-Ta +mp-755013,Li5TaO5,-6.8489673582,-2.6548004928,0.0,-0.0184294725,GGA,C2/m,A5B5C_mC22_12_c2i_b2i_a:Li-O-Ta,11.0,"Invalid WP multiplicities - A5B5C_mC22_12_c4i_a4i_b:Li-O-Ta, expected Li9TaO9 to be Li5TaO5" +mp-770469,Li5TaO5,-6.8213163314,-2.6271494659,0.0276510268,0.0092215543,GGA,C2/c,A5B5C_mC44_15_e2f_e2f_e:Li-O-Ta,22.0,"Invalid WP multiplicities - A5B5C_mC44_15_e8f_2e7f_e:Li-O-Ta, expected Li17TaO16 to be Li5TaO5" +mp-1177079,Li5Ta12O32,-9.5235209161,-3.1942967395,0.0261466727,0.0261466727,GGA,Pmmn,A5B32C12_oP98_59_a2e_2a2bc4ef4g_2f2g:Li-O-Ta,98.0,"Invalid WP multiplicities - A5B32C12_oP98_59_2a7e_4a4b2c16e4f16g_5f7g:Li-O-Ta, expected Li8Ta19O58 to be Li5Ta12O32" +mp-28891,Li7TaO6,-6.4166913257,-2.4952363283,0.0325402043,0.0325402043,GGA,R3,A7B6C_hR42_146_a2b_2b_a:Li-O-Ta,14.0,A7B6C_hR42_146_a2b_2b_a:Li-O-Ta +mp-772220,Li3Ta7O19,-9.4673712059,-3.1667402568,0.0658297891,0.0658297891,GGA,P6_3/m,A3B19C7_hP58_176_g_efh2i_bi:Li-O-Ta,58.0,"Invalid WP multiplicities - A3B19C7_hP58_176_g_e2f6h11i_b2i:Li-O-Ta, expected Li3Ta13O90 to be Li3Ta7O19" +mp-555750,Nd2SnS5,-6.0215595925,-1.7430450857,0.0,-0.0010615409,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Nd-S-Sn,16.0,"Invalid WP multiplicities - A2B5C_oP16_55_h_a3g4h_c:Nd-S-Sn, expected Nd2SnS15 to be Nd2SnS5" +mp-675620,Nd2PbS4,-6.1345794564,-1.8781878275,0.0324799125,0.0324799125,GGA,I-42d,A2BC4_tI28_122_d_a_e:Nd-Pb-S,14.0,A2BC4_tI28_122_d_a_e:Nd-Pb-S +mp-1210499,Nd2Sn3(PbS4)3,-5.2559478372,-1.1389303351,0.0066692303,0.0066692303,GGA,Pmc2_1,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Nd-Pb-S-Sn,40.0,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Nd-Pb-S-Sn +mp-771316,Cr5Sb3O16,-7.8170514546,-1.9920822692,0.1105016455,0.1105016455,GGA+U,Cm,A5B16C3_mC48_8_3ab_8a4b_ab:Cr-O-Sb,24.0,"Invalid WP multiplicities - A5B16C3_mC48_8_3a2b_8a6b_ab:Cr-O-Sb, expected Cr7Sb3O20 to be Cr5Sb3O16" +mp-754974,CrSbO4,-7.5958353933,-2.0010348008,0.1195607329,-0.0162572967,GGA+U,P2/m,AB4C_mP6_10_b_mn_c:Cr-O-Sb,6.0,"Invalid WP multiplicities - AB4C_mP6_10_b_2m2n_c:Cr-O-Sb, expected CrSbO8 to be CrSbO4" +mp-33857,CrSbO4,-7.7153961262,-2.1205955337,0.0,-0.1358180296,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Cr-O-Sb,24.0,AB4C_oC12_65_a_gj_c:Cr-O-Sb +mp-861569,CrSbO4,-7.5717953742,-1.9769947817,0.1436007521,0.0077827225,GGA+U,Imma,AB4C_oI24_74_a_hi_c:Cr-O-Sb,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2h3i_c:Cr-O-Sb, expected CrSbO10 to be CrSbO4" +mp-755493,CrSbO4,-7.6478444733,-2.0530438808,0.0675516529,-0.0682663767,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Cr-O-Sb,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Cr-O-Sb, expected CrSbO8 to be CrSbO4" +mp-756124,TbCrO3,-9.0416070835,-3.2161111427,0.0,-0.0402638406,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Tb +mp-1178419,Cr(SbO3)2,-7.1935647578,-1.9056556225,0.1208546329,0.1208546329,GGA+U,C2/m,AB6C2_mC18_12_a_ij_h:Cr-O-Sb,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_i2j_h:Cr-O-Sb, expected Cr(SbO5)2 to be Cr(SbO3)2" +mp-756024,Cr(SbO3)2,-7.2514918486,-1.9635827133,0.0629275421,0.0629275421,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cr-O-Sb,36.0,AB6C2_tP18_136_a_fj_e:Cr-O-Sb +mp-777918,Cr3Sb5O16,-7.2884294754,-1.9237974758,0.1262340992,0.1262340992,GGA+U,Cm,A3B16C5_mC48_8_ab_8a4b_3ab:Cr-O-Sb,24.0,"Invalid WP multiplicities - A3B16C5_mC48_8_ab_8a6b_3ab:Cr-O-Sb, expected Cr3(SbO4)5 to be Cr3Sb5O16" +mp-1217731,Tb2CrSbO7,-8.289135295,-3.0457169415,0.0,-0.0172795366,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Cr-O-Sb-Tb,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Cr-O-Sb-Tb, expected Tb2CrSbO13 to be Tb2CrSbO7" +mp-1201824,TbCrO5,-7.8990032582,-2.3245950973,0.0579371298,0.0579371298,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cr-O-Tb,56.0,AB5C_mP56_14_2e_10e_2e:Cr-O-Tb +mp-1208601,TbCr2O2,-7.844320668,-1.0775529755,1.3225985584,1.3225985584,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Tb,20.0,A2B2C_tI40_141_h_h_c:Cr-O-Tb +mp-1101796,TbCrO4,-8.4354492758,-2.7564212067,0.023199725,-0.0563249993,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Cr-O-Tb,12.0,AB4C_tI24_88_a_f_b:Cr-O-Tb +mp-19272,TbCrO4,-8.4586490008,-2.7796209317,0.0,-0.0795247243,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Tb,12.0,AB4C_tI24_141_a_h_b:Cr-O-Tb +mp-1049207,HoMg(BiO3)2,-6.6821831605,-2.3278032157,0.1650279477,0.1650279477,GGA,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Bi-Ho-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a4b:Bi-Ho-Mg-O, expected HoMg(BiO6)2 to be HoMg(BiO3)2" +mp-770830,HoBiO3,-7.4651025475,-2.8125097207,0.0358601404,0.0358601404,GGA,Pnma,ABC3_oP20_62_c_a_cd:Bi-Ho-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Bi-Ho-O, expected HoBiO7 to be HoBiO3" +mp-754300,HoBiO3,-7.45128248,-2.7986896533000003,0.0496802079,0.0496802079,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-Ho-O,10.0,ABC3_hR30_148_c_c_f:Bi-Ho-O +mp-1178162,HoBiO3,-7.469307687,-2.8167148602000003,0.0316550009,0.0316550009,GGA,R3c,ABC3_hR30_161_a_a_b:Bi-Ho-O,10.0,ABC3_hR30_161_a_a_b:Bi-Ho-O +mp-769405,Ho(Bi3O5)4,-6.3042861239,-1.7708905889,0.0587441873,0.0587441873,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Ho-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_6c5f:Bi-Ho-O, expected Ho(BiO7)12 to be Ho(Bi3O5)4" +mp-2228418,Ho2Mg(BiO3)4,-6.7202891495,-2.2209565787,0.1030576085,0.1030576085,GGA,P1,A4B2CD12_aP19_1_4a_2a_a_12a:Bi-Ho-Mg-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:Bi-Ho-Mg-O +mp-2230967,Ho2Mg(BiO3)4,-6.5901073153,-2.0907747445,0.2332394427,0.2332394427,GGA,Pm,A4B2CD12_mP19_6_2c_ab_a_2a2b4c:Bi-Ho-Mg-O,19.0,A4B2CD12_mP19_6_2c_ab_a_2a2b4c:Bi-Ho-Mg-O +mp-1067937,Ho2BiO2,-7.571041998,-2.9913051395,0.0,-0.0745050135,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Ho-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Ho-O +mp-1184645,Ho2Mg2O5,-7.3041168589,-3.1820255926,0.4166762399,0.4166762399,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Ho-Mg-O,9.0,A2B2C5_tP9_123_ab_h_ci:Ho-Mg-O +mp-769229,Ho2Bi2O7,-7.2247192082,-2.5453903919,0.0941477526,0.0941477526,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Bi-Ho-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Bi-Ho-O, expected HoBiO10 to be Ho2Bi2O7" +mp-1040838,Ho(BiO3)2,-6.6876501256,-2.0272590814,0.0781678011,0.0781678011,GGA,Pmn2_1,A2BC6_oP18_31_b_a_2a2b:Bi-Ho-O,18.0,"Invalid WP multiplicities - A2BC6_oP18_31_b_a_4a4b:Bi-Ho-O, expected Ho(BiO6)2 to be Ho(BiO3)2" +mp-1201070,RbNb4Br11,-5.0957451478,-1.4414285314,0.0164960904,0.0164960904,GGA,Pmma,A11B4C_oP32_51_eijkl_gi_f:Br-Nb-Rb,32.0,A11B4C_oP32_51_eijkl_gi_f:Br-Nb-Rb +mp-1079487,Nb(SBr)2,-5.593272282,-1.2972199952,0.0,-0.078845337,GGA,P-1,A2BC2_aP10_2_2i_i_2i:Br-Nb-S,10.0,A2BC2_aP10_2_2i_i_2i:Br-Nb-S +mp-1079264,Nb(SBr)2,-5.5894229630000005,-1.2933706762,0.003849319,-0.074996018,GGA,C2/m,A2BC2_mC20_12_j_g_2i:Br-Nb-S,10.0,A2BC2_mC20_12_j_g_2i:Br-Nb-S +mp-1209652,Rb2(NbBr3)3,-4.8751984532,-1.5721814364000002,0.0,-0.0327874836,GGA,C2/m,A9B3C2_mC56_12_g2i3j_ij_j:Br-Nb-Rb,28.0,A9B3C2_mC56_12_g2i3j_ij_j:Br-Nb-Rb +mp-541745,Rb3Nb2S11,-5.4707499048,-1.1804273528,0.0,-0.0441295165,GGA,P2_1/c,A2B3C11_mP64_14_2e_3e_11e:Nb-Rb-S,64.0,A2B3C11_mP64_14_2e_3e_11e:Nb-Rb-S +mp-1219680,Rb(Nb3S4)2,-7.7097823333,-1.3977847835,0.0,-0.0528653522,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Rb-S,15.0,A6BC8_hP15_147_g_a_dg:Nb-Rb-S +mp-29057,Nb3SBr7,-5.5578233891,-1.4385903621,0.0,-0.0508071492,GGA,P3m1,A7B3C_hP11_156_a2d_d_b:Br-Nb-S,11.0,"Invalid WP multiplicities - A7B3C_hP11_156_a3d_d_b:Br-Nb-S, expected Nb3SBr10 to be Nb3SBr7" +mp-1219792,Rb(NbS2)2,-6.7321320943,-1.3422830057,0.1002840267,0.1002840267,GGA,P-3m1,A2BC4_hP7_164_c_a_2d:Nb-Rb-S,7.0,A2BC4_hP7_164_c_a_2d:Nb-Rb-S +mp-559037,Rb3Nb6SBr17,-5.0447782256,-1.5600610428,0.0,-0.0053897446,GGA,C2/c,A17B6C3D_mC108_15_e8f_3f_ef_e:Br-Nb-Rb-S,54.0,"Invalid WP multiplicities - A17B6C3D_mC108_15_2e31f_9f_2e3f_e:Br-Nb-Rb-S, expected Rb8Nb18SBr64 to be Rb3Nb6SBr17" +mp-3719,Rb3NbS4,-5.1844512703,-1.4858629297,0.0,-0.2387215899,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:Nb-Rb-S,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_2c2d_2cd:Nb-Rb-S, expected Rb6NbS4 to be Rb3NbS4" +mp-29413,Rb3Nb2Br9,-4.3375979604,-1.6860645841,0.0,-0.0082510995,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Br-Nb-Rb,28.0,"Invalid WP multiplicities - A9B2C3_hP28_194_h2k_f_bf:Br-Nb-Rb, expected Rb3Nb2Br15 to be Rb3Nb2Br9" +mp-1209893,NbSBr,-6.6603987292,-1.3968043169,0.0258672888,0.0258672888,GGA,F-43m,ABC_cF48_216_e_e_e:Br-Nb-S,12.0,ABC_cF48_216_e_e_e:Br-Nb-S +mp-755725,Na3NiO3,-4.9078374236,-1.3952976101,0.0055183419,0.0055183419,GGA+U,P-1,A3BC3_aP14_2_3i_i_3i:Na-Ni-O,14.0,"Invalid WP multiplicities - A3BC3_aP14_2_5i_i_5i:Na-Ni-O, expected Na5NiO5 to be Na3NiO3" +mp-849937,Na3NiO3,-4.8017441175,-1.2892043041,0.1116116479,0.1116116479,GGA+U,P4_2/mnm,A3BC3_tP28_136_fi_f_gi:Na-Ni-O,28.0,"Invalid WP multiplicities - A3BC3_tP28_136_2f3i_f_3g2i:Na-Ni-O, expected Na8NiO7 to be Na3NiO3" +mp-21996,Na5NiO4,-4.6436673794,-1.4257155802,0.0,-0.0173193209,GGA+U,Pbca,A5BC4_oP80_61_5c_c_4c:Na-Ni-O,80.0,"Invalid WP multiplicities - A5BC4_oP80_61_10c_c_4c:Na-Ni-O, expected Na10NiO4 to be Na5NiO4" +mp-1303200,NaNi2O3,-5.8840049167,-1.2635274521,0.0350909512,0.0350909512,GGA+U,C2,AB2C3_mC24_5_2a_a3b_3c:Na-Ni-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_5_2a_a3b_4c:Na-Ni-O, expected Na(NiO2)2 to be NaNi2O3" +mp-753386,NaNi2O3,-5.8864152012,-1.2659377367,0.0326806667,0.0326806667,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Na-Ni-O,24.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_2adh_ij:Na-Ni-O, expected Na2Ni5O6 to be NaNi2O3" +mp-1302089,NaNi2O3,-5.8868344171,-1.2663569526,0.0322614508,0.0322614508,GGA+U,C2/m,AB2C3_mC48_12_gh_adij_2i2j:Na-Ni-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_2g2h_acij_4i8j:Na-Ni-O, expected NaNiO5 to be NaNi2O3" +mp-759286,NaNi2O3,-5.8952813083,-1.2748038438,0.0238145596,0.0238145596,GGA+U,P-3m1,AB2C3_hP6_164_a_d_bd:Na-Ni-O,6.0,"Invalid WP multiplicities - AB2C3_hP6_164_a_d_b2d:Na-Ni-O, expected NaNi2O5 to be NaNi2O3" +mp-765679,Na5(NiO2)6,-5.6460778113,-1.2698295034,0.0055564227,0.0055564227,GGA+U,P-1,A5B6C12_aP23_2_a2i_3i_6i:Na-Ni-O,23.0,"Invalid WP multiplicities - A5B6C12_aP23_2_a3i_6i_12i:Na-Ni-O, expected Na7(NiO2)12 to be Na5(NiO2)6" +mp-776392,Na2Ni3O7,-5.57799921,-1.0269757429,0.0782963912,0.0782963912,GGA+U,P1,A2B3C7_aP24_1_4a_6a_14a:Na-Ni-O,24.0,A2B3C7_aP24_1_4a_6a_14a:Na-Ni-O +mp-1101477,NaNi3O5,-5.9304752278,-1.1086553511,0.0405154178,0.0405154178,GGA+U,Pnma,AB3C5_oP36_62_c_3c_5c:Na-Ni-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_9c_17c:Na-Ni-O, expected NaNi9O17 to be NaNi3O5" +mp-1272149,NaNiO2,-5.5696020544,-1.3205922054,0.0179746762,-0.008944516,GGA+U,P-1,ABC2_aP16_2_2i_aei_4i:Na-Ni-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_4i_ae2i_8i:Na-Ni-O, expected Na4Ni3O8 to be NaNiO2" +mp-1274483,NaNiO2,-5.5748233262,-1.3258134773,0.0127534044,-0.0141657878,GGA+U,P2_1/m,ABC2_mP8_11_e_a_f:Na-Ni-O,16.0,ABC2_oC16_63_c_a_f:Na-Ni-O +mp-19149,NaNiO2,-5.5875767306,-1.3385668816,0.0,-0.0269191922,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Na-Ni-O,16.0,ABC2_mC8_12_a_c_i:Na-Ni-O +mp-1274267,NaNiO2,-5.5799152856,-1.3309054366,0.007661445,-0.0192577472,GGA+U,P2_1/c,ABC2_mP8_14_a_d_e:Na-Ni-O,16.0,ABC2_mP8_14_a_d_e:Na-Ni-O +mp-1272732,NaNiO2,-5.5659112613,-1.3169014123,0.0216654694,-0.0052537228,GGA+U,C2/c,ABC2_mC16_15_e_a_f:Na-Ni-O,8.0,ABC2_mC16_15_e_a_f:Na-Ni-O +mp-1279798,NaNiO2,-5.5732445544,-1.3242347054,0.0143321762,-0.012587016,GGA+U,Cmcm,ABC2_oC16_63_c_a_f:Na-Ni-O,16.0,ABC2_oC16_63_c_a_f:Na-Ni-O +mp-1147543,NaNiO2,-5.21607837,-0.967068521,0.3714983606,0.3445791684,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:Na-Ni-O,4.0,ABC2_tP4_123_a_d_e:Na-Ni-O +mp-578611,NaNiO2,-5.568448275,-1.319438426,0.0191284556,-0.0077907366,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Na-Ni-O,4.0,ABC2_hR12_166_a_b_c:Na-Ni-O +mp-971634,NaNiO2,-5.5594222912,-1.3104124423,0.0281544394,0.0012352472,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Na-Ni-O,8.0,ABC2_hP8_194_c_a_f:Na-Ni-O +mp-755035,Na2Ni2O5,-5.4537395733,-1.1272098508,0.0626273774,0.0626273774,GGA+U,P1,A2B2C5_aP18_1_4a_4a_10a:Na-Ni-O,18.0,A2B2C5_aP18_1_4a_4a_10a:Na-Ni-O +mp-756521,BaNa2O2,-4.795584612,-1.9041040221,0.088983384,0.088983384,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Na-O,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_3e:Ba-Na-O, expected BaNa3O3 to be BaNa2O2" +mp-755391,BaNa2O2,-4.8230165,-1.9315359101,0.061551496,0.061551496,GGA,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Ba-Na-O,10.0,"Invalid WP multiplicities - AB2C2_oC20_36_a_4a_3a:Ba-Na-O, expected BaNa4O3 to be BaNa2O2" +mp-753027,Na4Ni3O7,-5.3870903307,-1.2972808884,0.0369664793,0.0369664793,GGA+U,R-3,A4B3C7_hR84_148_abf_f_c2f:Na-Ni-O,28.0,"Invalid WP multiplicities - A4B3C7_hR84_148_ab2f_f_2c6f:Na-Ni-O, expected Na7Ni3O20 to be Na4Ni3O7" +mp-850400,Na3(NiO2)2,-5.1864932411,-1.2626483427,0.0977021637,0.0977021637,GGA+U,Pnma,A3B2C4_oP36_62_cd_d_2cd:Na-Ni-O,36.0,"Invalid WP multiplicities - A3B2C4_oP36_62_2c3d_d_5c4d:Na-Ni-O, expected Na8Ni2O13 to be Na3(NiO2)2" +mp-764056,Na3(NiO2)2,-5.2110372394,-1.2871923411,0.0731581653,0.0731581653,GGA+U,Cmcm,A3B2C4_oC36_63_cf_ac_h:Na-Ni-O,18.0,"Invalid WP multiplicities - A3B2C4_oC36_63_c2f_2a2c_h:Na-Ni-O, expected Na5(NiO)4 to be Na3(NiO2)2" +mp-18765,Na2NiO2,-4.971528574,-1.3078156361,0.043048807,0.043048807,GGA+U,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Na-Ni-O,10.0,"Invalid WP multiplicities - A2BC2_oC20_36_4a_a_4a:Na-Ni-O, expected Na4NiO4 to be Na2NiO2" +mp-752558,Na2NiO2,-4.960477572,-1.2967646341,0.054099809,0.054099809,GGA+U,Immm,A2BC2_oI10_71_e_a_f:Na-Ni-O,5.0,A2BC2_oI10_71_e_a_f:Na-Ni-O +mp-778404,Na2NiO2,-4.9735198315,-1.3098068936,0.0410575495,0.0410575495,GGA+U,I4/mmm,A2BC2_tI10_139_d_a_e:Na-Ni-O,20.0,A2BC2_tI10_139_d_a_e:Na-Ni-O +mp-780118,Na4Ni2O5,-5.0939392432,-1.3135921441,0.0645877823,0.0645877823,GGA+U,P2_1/c,A4B2C5_mP44_14_4e_2e_5e:Na-Ni-O,44.0,"Invalid WP multiplicities - A4B2C5_mP44_14_15e_3e_19e:Na-Ni-O, expected Na15Ni3O19 to be Na4Ni2O5" +mp-760860,Na9Ni7O16,-5.4110961547,-1.3013866615,0.0334006454,0.0334006454,GGA+U,P-1,A9B7C16_aP32_2_b4i_e3i_8i:Na-Ni-O,32.0,"Invalid WP multiplicities - A9B7C16_aP32_2_b7i_e5i_14i:Na-Ni-O, expected Na15Ni11O28 to be Na9Ni7O16" +mp-765844,Na5(NiO2)8,-5.7338589686,-1.182109338,0.0051880842,0.0051880842,GGA+U,P-1,A5B8C16_aP29_2_bcei_4i_8i:Na-Ni-O,29.0,"Invalid WP multiplicities - A5B8C16_aP29_2_bce2i_7i_15i:Na-Ni-O, expected Na7(Ni7O15)2 to be Na5(NiO2)8" +mp-753301,Na4(NiO2)5,-5.6651200242,-1.2620846723,0.0,-0.0006164299,GGA+U,P-1,A4B5C10_aP19_2_2i_a2i_5i:Na-Ni-O,19.0,A4B5C10_aP19_2_2i_a2i_5i:Na-Ni-O +mp-760203,Na7(NiO2)10,-5.6997022535,-1.213409873,0.0068054894,0.0068054894,GGA+U,P-1,A7B10C20_aP37_2_b3i_cd4i_10i:Na-Ni-O,37.0,"Invalid WP multiplicities - A7B10C20_aP37_2_b5i_cd6i_20i:Na-Ni-O, expected Na11(Ni7O20)2 to be Na7(NiO2)10" +mp-1284090,NaNi5O6,-6.2121487175,-1.2202036374,0.0384662877,0.0384662877,GGA+U,C2,AB5C6_mC48_5_c_3a3b2c_6c:Na-Ni-O,24.0,"Invalid WP multiplicities - AB5C6_mC48_5_c_3a3b2c_10c:Na-Ni-O, expected Na(NiO2)5 to be NaNi5O6" +mp-753049,NaNi5O6,-6.2180767025,-1.2261316224,0.0325383027,0.0325383027,GGA+U,C2/m,AB5C6_mC24_12_a_dgh_ij:Na-Ni-O,12.0,"Invalid WP multiplicities - AB5C6_mC24_12_a_d2gh_ij:Na-Ni-O, expected NaNi7O6 to be NaNi5O6" +mp-1276479,NaNi5O6,-6.2147056008,-1.2227605208,0.0359094044,0.0359094044,GGA+U,C2/c,AB5C6_mC48_15_c_3ef_3f:Na-Ni-O,24.0,"Invalid WP multiplicities - AB5C6_mC48_15_a_4e2f_8f:Na-Ni-O, expected Na(NiO2)8 to be NaNi5O6" +mp-760161,Na2(NiO2)5,-5.8309845129,-1.065536213,0.0082462149,0.0082462149,GGA+U,P-1,A2B5C10_aP17_2_i_a2i_5i:Na-Ni-O,17.0,"Invalid WP multiplicities - A2B5C10_aP17_2_i_a3i_9i:Na-Ni-O, expected Na2Ni7O18 to be Na2(NiO2)5" +mp-755764,Na2NiO3,-5.16547857,-1.2879363366,0.0405516793,0.0405516793,GGA+U,C2/m,A2BC3_mC24_12_adg_h_ij:Na-Ni-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_acg_h_2ij:Na-Ni-O, expected Na2NiO4 to be Na2NiO3" +mp-776955,Na2NiO3,-5.1609790917,-1.2834368582,0.0450511576,0.0450511576,GGA+U,C2/c,A2BC3_mC48_15_cef_2e_3f:Na-Ni-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_15_2ae3f_4e_11f:Na-Ni-O, expected Na9(Ni2O11)2 to be Na2NiO3" +mp-1019519,Ba2NaO,-3.9807498675,-1.4539588963,0.0,-0.0313207065,GGA,Cmme,A2BC_oC16_67_m_g_a:Ba-Na-O,8.0,A2BC_oC16_67_m_g_a:Ba-Na-O +mp-1186154,NaNiO3,-5.138825782,-0.7502801606,0.3205733448,0.3205733448,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Na-Ni-O,5.0,ABC3_cP5_221_a_b_c:Na-Ni-O +mp-759923,Na3(NiO2)5,-5.7432041972,-1.1690293976,0.0069905821,0.0069905821,GGA+U,P-1,A3B5C10_aP18_2_ai_c2i_5i:Na-Ni-O,36.0,"Invalid WP multiplicities - A3B5C10_aP18_2_ai_2c4i_5i:Na-Ni-O, expected Na3(NiO)10 to be Na3(NiO2)5" +mp-759953,Na3Ni5O8,-5.7943769859,-1.2667664253,0.0418390977,0.0418390977,GGA+U,C2/m,A3B5C8_mC64_12_ij_abeh2i_4i2j:Na-Ni-O,32.0,"Invalid WP multiplicities - A3B5C8_mC64_12_i2j_ab2f2h3i_7i7j:Na-Ni-O, expected Na5Ni8O21 to be Na3Ni5O8" +mp-1569694,Na6NiO4,-4.4361920541,-1.3905517554,0.0083646864,0.0083646864,GGA+U,Cc,A6BC4_mC44_9_6a_a_4a:Na-Ni-O,22.0,"Invalid WP multiplicities - A6BC4_mC44_9_11a_a_7a:Na-Ni-O, expected Na11NiO7 to be Na6NiO4" +mp-1567910,Na6NiO4,-4.4150613309,-1.3694210322,0.0294954095,0.0294954095,GGA+U,Amm2,A6BC4_oC88_38_4a2e4f_2bd_2c2d2ef:Na-Ni-O,44.0,A6BC4_tP22_137_df_a_g:Na-Ni-O +mp-760327,Na6NiO4,-4.415311968,-1.3696716693,0.0292447725,0.0292447725,GGA+U,P4_2/nmc,A6BC4_tP22_137_df_a_g:Na-Ni-O,44.0,A6BC4_tP22_137_df_a_g:Na-Ni-O +mp-779898,Na6NiO4,-4.4363421664,-1.3907018677,0.0082145741,0.0082145741,GGA+U,P6_3mc,A6BC4_hP22_186_2c_b_bc:Na-Ni-O,44.0,A6BC4_hP22_186_2c_b_bc:Na-Ni-O +mp-752689,Ba2Na2O3,-5.1897951507,-2.1436427792,0.0869278979,0.0869278979,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Ba-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Ba-Na-O +mp-752395,Ba2Na2O3,-5.1955850825,-2.149432711,0.0811379661,0.0811379661,GGA,P4_32_12,A2B2C3_tP28_96_b_b_ab:Ba-Na-O,28.0,"Invalid WP multiplicities - A2B2C3_tP28_96_b_b_4a5b:Ba-Na-O, expected BaNaO7 to be Ba2Na2O3" +mp-760849,Na9Ni11O20,-5.6714061912,-1.3109560576,0.0156262806,0.0156262806,GGA+U,P-1,A9B11C20_aP40_2_b4i_cdh4i_10i:Na-Ni-O,40.0,"Invalid WP multiplicities - A9B11C20_aP40_2_b7i_cdh8i_18i:Na-Ni-O, expected Na15Ni19O36 to be Na9Ni11O20" +mp-754426,Na3NiO2,-4.4604749633,-1.1869599662,0.0953801054,0.0953801054,GGA+U,P2_1/c,A3BC2_mP24_14_3e_e_2e:Na-Ni-O,24.0,"Invalid WP multiplicities - A3BC2_mP24_14_11e_e_3e:Na-Ni-O, expected Na11NiO3 to be Na3NiO2" +mp-755579,Na3NiO2,-4.45476422,-1.1812492229,0.1010908487,0.1010908487,GGA+U,Pnma,A3BC2_oP24_62_cd_c_2c:Na-Ni-O,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_3c2d_c_5c:Na-Ni-O, expected Na7NiO5 to be Na3NiO2" +mp-850202,Na3NiO2,-4.4234795342,-1.149964537,0.1323755346,0.1323755346,GGA+U,Ibam,A3BC2_oI24_72_af_d_j:Na-Ni-O,12.0,"Invalid WP multiplicities - A3BC2_oI24_72_a2f_d_j:Na-Ni-O, expected Na5NiO2 to be Na3NiO2" +mp-776961,Na3NiO2,-4.4532008896,-1.1796858924,0.1026541792,0.1026541792,GGA+U,P4_12_12,A3BC2_tP24_92_ab_a_b:Na-Ni-O,24.0,"Invalid WP multiplicities - A3BC2_tP24_92_2a3b_a_b:Na-Ni-O, expected Na8NiO2 to be Na3NiO2" +mp-759317,Na3NiO2,-4.4766992329,-1.2031842358,0.0791558358,0.0791558358,GGA+U,P4_2/mnm,A3BC2_tP24_136_fi_g_i:Na-Ni-O,24.0,"Invalid WP multiplicities - A3BC2_tP24_136_2f3i_g_i:Na-Ni-O, expected Na8NiO2 to be Na3NiO2" +mp-19397,Ba2Na(NiO2)3,-6.0438755167,-1.6954573933,0.0983983344,0.0983983344,GGA+U,Fmmm,A2BC3D6_oF96_69_fg_i_hm_np:Ba-Na-Ni-O,24.0,"Invalid WP multiplicities - A2BC3D6_oF96_69_fg_i_hm_2n3p:Ba-Na-Ni-O, expected Ba2NaNi3O16 to be Ba2Na(NiO2)3" +mp-765715,Na3Ni7O12,-5.8588914605,-1.1412188616,0.0425650213,0.0425650213,GGA+U,P1,A3B7C12_aP22_1_3a_7a_12a:Na-Ni-O,22.0,A3B7C12_aP22_1_3a_7a_12a:Na-Ni-O +mp-759512,NaNi3O4,-6.0448118094,-1.2386005371,0.0400436272,0.0400436272,GGA+U,P-1,AB3C4_aP16_2_i_ae2i_4i:Na-Ni-O,16.0,"Invalid WP multiplicities - AB3C4_aP16_2_i_ae4i_7i:Na-Ni-O, expected NaNi5O7 to be NaNi3O4" +mp-764496,Na14Ni2O9,-4.3865138512,-1.4026808164,0.0010408252,0.0010408252,GGA+U,P-3,A14B2C9_hP25_147_c2g_d_adg:Na-Ni-O,50.0,A14B2C9_hP25_147_c2g_d_adg:Na-Ni-O +mp-777331,Na4Ni7O16,-5.6266179556,-1.0007632402,0.0760313398,0.0760313398,GGA+U,P1,A4B7C16_aP27_1_4a_7a_16a:Na-Ni-O,27.0,A4B7C16_aP27_1_4a_7a_16a:Na-Ni-O +mp-765675,Na2Ni3O5,-5.7593719915,-1.2874815732,0.0271162215,0.0271162215,GGA+U,P-1,A2B3C5_aP20_2_2i_ac2i_5i:Na-Ni-O,20.0,"Invalid WP multiplicities - A2B3C5_aP20_2_2i_ac3i_9i:Na-Ni-O, expected Na2Ni4O9 to be Na2Ni3O5" +mp-1102157,NaNi3O8,-5.3012833567,-0.4482462714,0.4141876658,0.4141876658,GGA+U,Cm,AB3C8_mC24_8_a_ab_2a3b:Na-Ni-O,12.0,AB3C8_mC24_8_a_ab_2a3b:Na-Ni-O +mp-760117,Na7Ni17O24,-5.9650294069,-1.2516850385,0.0369462454,0.0369462454,GGA+U,P-1,A7B17C24_aP48_2_a3i_bcdefgh5i_12i:Na-Ni-O,48.0,"Invalid WP multiplicities - A7B17C24_aP48_2_a4i_bcdefgh8i_22i:Na-Ni-O, expected Na9Ni23O44 to be Na7Ni17O24" +mp-849670,Na8NiO6,-4.4502312587,-1.3808665057,0.0318465405,0.0318465405,GGA+U,P6_3cm,A8BC6_hP30_185_b2c_a_abc:Na-Ni-O,30.0,"Invalid WP multiplicities - A8BC6_hP30_185_2b9c_a_a3b3c:Na-Ni-O, expected Na31NiO16 to be Na8NiO6" +mp-755841,Na(NiO2)2,-5.7593745146,-1.0922954434,0.0370037032,0.0335560766,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Na-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Na-Ni-O, expected NaNi5O13 to be Na(NiO2)2" +mp-1176434,Na(NiO2)2,-5.7963782179,-1.1292991467,0.0,-0.0034476266,GGA+U,Pc,AB2C4_mP28_7_2a_4a_8a:Na-Ni-O,28.0,AB2C4_aP28_1_4a_8a_16a:Na-Ni-O +mp-764934,Na(NiO2)2,-5.7913204936,-1.1242414224,0.0050577243,0.0016100976,GGA+U,P2/c,AB2C4_mP28_13_ef_adg_4g:Na-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_13_2ef_2a2dg_9g:Na-Ni-O, expected Na(NiO3)2 to be Na(NiO2)2" +mp-755322,BaNa6O4,-4.367427305,-1.6728017099,0.0180342605,0.0180342605,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Ba-Na-O,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Ba-Na-O, expected BaNa16O4 to be BaNa6O4" +mp-779453,BaNa6O4,-4.3549797427,-1.6603541477,0.0304818227,0.0304818227,GGA,I-43m,AB6C4_cI88_217_c_2g_abg:Ba-Na-O,44.0,"Invalid WP multiplicities - AB6C4_cI88_217_c_10g_a2b3g:Ba-Na-O, expected Ba4Na120O43 to be BaNa6O4" +mp-760035,Na3Ni2O5,-5.317524841,-1.2913955613,0.0411240008,0.0411240008,GGA+U,P-1,A3B2C5_aP20_2_ac2i_2i_5i:Na-Ni-O,20.0,"Invalid WP multiplicities - A3B2C5_aP20_2_ac3i_2i_8i:Na-Ni-O, expected Na2NiO4 to be Na3Ni2O5" +mp-760267,Na5(NiO2)9,-5.7698419803,-1.1550215619,0.0005580534,0.0005580534,GGA+U,P-1,A5B9C18_aP32_2_b2i_e4i_9i:Na-Ni-O,32.0,"Invalid WP multiplicities - A5B9C18_aP32_2_b3i_e7i_16i:Na-Ni-O, expected Na7Ni15O32 to be Na5(NiO2)9" +mp-761163,Na2(NiO2)7,-5.85980363,-0.9746014863,0.0315953708,0.0315953708,GGA+U,P-1,A2B7C14_aP23_2_i_a3i_7i:Na-Ni-O,23.0,"Invalid WP multiplicities - A2B7C14_aP23_2_i_a5i_11i:Na-Ni-O, expected Na2(NiO2)11 to be Na2(NiO2)7" +mp-768107,Na13Ni11O24,-5.4683669944,-1.3122240493,0.0238231159,0.0238231159,GGA+U,P-1,A13B11C24_aP48_2_b6i_c5i_12i:Na-Ni-O,48.0,"Invalid WP multiplicities - A13B11C24_aP48_2_b10i_c10i_24i:Na-Ni-O, expected Na7Ni7O16 to be Na13Ni11O24" +mp-765602,Na5Ni9O16,-5.7886483053,-1.1959524398,0.0293671798,0.0293671798,GGA+U,P2/m,A5B9C16_mP30_10_aij_bgh2kl_mn3o:Na-Ni-O,30.0,"Invalid WP multiplicities - A5B9C16_mP30_10_a2ij_bcf2k4l_2m2n8o:Na-Ni-O, expected Na7(Ni3O8)5 to be Na5Ni9O16" +mp-754438,Na2Ni2O3,-5.4099047593,-1.2605633192,0.0525459821,0.0525459821,GGA+U,P2_1/c,A2B2C3_mP14_14_e_e_ae:Na-Ni-O,14.0,A2B2C3_mP14_14_e_e_ae:Na-Ni-O +mp-1176386,Na4NiO4,-4.7100953621,-1.2815406178,0.0987229636,0.0987229636,GGA+U,P1,A4BC4_aP72_1_32a_8a_32a:Na-Ni-O,72.0,A4BC4_aP72_1_32a_8a_32a:Na-Ni-O +mp-752478,Na4NiO4,-4.7697573461000005,-1.3412026018,0.0390609796,0.0390609796,GGA+U,P-1,A4BC4_aP18_2_4i_i_4i:Na-Ni-O,18.0,"Invalid WP multiplicities - A4BC4_aP18_2_7i_i_7i:Na-Ni-O, expected Na7NiO7 to be Na4NiO4" +mp-778047,Na4NiO4,-4.7003813364,-1.2718265921,0.1084369893,0.1084369893,GGA+U,Pc,A4BC4_mP72_7_16a_4a_16a:Na-Ni-O,72.0,A4BC4_mP72_7_16a_4a_16a:Na-Ni-O +mp-756084,BaNa4O3,-4.4853946438,-1.7292518628,0.0560376812,0.0560376812,GGA,Cc,AB4C3_mC32_9_a_4a_3a:Ba-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_6a_5a:Ba-Na-O, expected BaNa6O5 to be BaNa4O3" +mp-756090,BaNa4O3,-4.4475057437,-1.6913629628,0.0939265812,0.0939265812,GGA,Cc,AB4C3_mC32_9_a_4a_3a:Ba-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_7a_6a:Ba-Na-O, expected BaNa7O6 to be BaNa4O3" +mp-850287,Na6(NiO2)7,-5.6318767822,-1.2744786164,0.0102674513,0.0102674513,GGA+U,R-3,A6B7C14_hR81_148_f_af_c2f:Na-Ni-O,27.0,"Invalid WP multiplicities - A6B7C14_hR81_148_f_a2f_2c6f:Na-Ni-O, expected Na6Ni13O40 to be Na6(NiO2)7" +mp-1191333,Zn2MoSeO7,-6.4123157359,-1.7316003008,0.0,-0.0005601241,GGA+U,P2_1,AB7CD2_mP22_4_a_7a_a_2a:Mo-O-Se-Zn,22.0,AB7CD2_mP22_4_a_7a_a_2a:Mo-O-Se-Zn +mp-1215677,Zn(MoSe2)2,-6.0205238429,-0.7441395942,0.1626978914,0.1626978914,GGA,P3m1,A2B4C_hP7_156_ab_2a2b_a:Mo-Se-Zn,7.0,A2B4C_hP7_156_ab_2a2b_a:Mo-Se-Zn +mp-1219432,Sm4Ga3Fe31,-7.7005852821,-0.0550776474,0.0426943574,0.0426943574,GGA,P1,A31B3C4_aP38_1_31a_3a_4a:Fe-Ga-Sm,38.0,A31B3C4_aP38_1_31a_3a_4a:Fe-Ga-Sm +mp-1219387,Sm(GaFe)6,-5.97268373,-0.3028922277,0.0,-0.0170504412,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Sm,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Sm +mp-1205466,Sm2Ga5Fe12,-6.7223465426,-0.0792988109,0.1653973663,0.1653973663,GGA,R-3m,A12B5C2_hR57_166_fh_cd_c:Fe-Ga-Sm,19.0,A12B5C2_hR57_166_fh_cd_c:Fe-Ga-Sm +mp-1204606,Sm(Ga4Fe)2,-4.4907422373,-0.3195243523,0.0404716105,0.0404716105,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Sm,44.0,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Sm +mp-1219390,Sm2Ga2Fe15,-7.3468040363,0.1554950408,0.2826954847,0.2826954847,GGA,Cm,A15B2C2_mC38_8_5a5b_b_2a:Fe-Ga-Sm,19.0,"Invalid WP multiplicities - A15B2C2_mC38_8_5a9b_b_2a:Fe-Ga-Sm, expected Sm2Ga2Fe23 to be Sm2Ga2Fe15" +mp-1188910,Sm2Ga2Fe15,-7.5261456721,-0.023846595,0.1033538489,0.1033538489,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Sm,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Sm +mp-1191750,Sm3GaFeS7,-6.3159439038,-1.7651918449,0.0415801551,0.0415801551,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Fe-Ga-S-Sm,24.0,ABC7D3_hP24_173_a_b_b2c_c:Fe-Ga-S-Sm +mp-1226584,CeSiBRh3,-7.4555110817,-0.7670573207,0.0836944026,0.0836944026,GGA,P-6m2,ABC3D_hP6_187_a_c_k_e:B-Ce-Rh-Si,6.0,ABC3D_hP6_187_a_c_k_e:B-Ce-Rh-Si +mp-1106048,Ce(BRh)4,-7.4561842944,-0.5553078813,0.0239918711,0.0239918711,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Ce-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Ce-Rh +mp-510376,CeBRh3,-7.70204361,-0.7609627028,0.0,-0.101182088,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ce-Rh,5.0,ABC3_cP5_221_b_a_c:B-Ce-Rh +mp-1227070,Ce2(B2Rh3)3,-7.5701806135,-0.6159865097,0.0,-0.0192600463,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-Ce-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-Ce-Rh +mp-5757,CeB2Rh3,-7.57409229,-0.6766262389000001,0.0097965335,0.0097965335,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ce-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Ce-Rh +mp-1105194,Ho5(MoO6)2,-8.8143367442,-3.3425678439,0.016708436,0.016708436,GGA+U,C2/m,A5B2C12_mC38_12_a2i_h_2i2j:Ho-Mo-O,19.0,A5B2C12_mC38_12_a2i_h_2i2j:Ho-Mo-O +mp-5572,Ho2Te5O13,-6.6596563543,-2.2002413316,0.0,-0.0134801492,GGA,P-1,A2B13C5_aP40_2_2i_13i_5i:Ho-O-Te,40.0,A2B13C5_aP40_2_2i_13i_5i:Ho-O-Te +mp-1212177,HoMoO5,-8.2713499939,-2.5339924888,0.1078169461,0.1078169461,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Ho-Mo-O,28.0,ABC5_mP28_14_e_e_5e:Ho-Mo-O +mp-1196327,Ho2(MoO4)3,-8.6018477834,-2.657022336,0.0022963213,-0.0136679477,GGA+U,Pba2,A2B3C12_oP68_32_2c_3c_12c:Ho-Mo-O,68.0,A2B3C12_oP68_32_2c_3c_12c:Ho-Mo-O +mp-1212381,Ho2(MoO4)3,-8.6041441047,-2.6593186574,0.0,-0.0159642691,GGA+U,P-42_1m,A2B3C12_tP34_113_e_ae_2e2f:Ho-Mo-O,34.0,A2B3C12_tP34_113_e_ae_2e2f:Ho-Mo-O +mp-768762,Ho2TeO6,-7.6981252317,-3.0327634649,0.0,-0.1946860479,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Ho-O-Te,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Ho-O-Te, expected Ho5TeO21 to be Ho2TeO6" +mp-755588,Ho2TeO6,-7.6371344761,-2.9717727094,0.0609907556,-0.1336952924,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ho-O-Te,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Ho-O-Te, expected Ho2TeO16 to be Ho2TeO6" +mp-754341,Ho2TeO6,-7.6942648193,-3.0289030525,0.0038604124,-0.1908256355,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Ho-O-Te,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_3e2f_14g_a2d:Ho-O-Te, expected Ho15Te5O84 to be Ho2TeO6" +mp-1041198,Ho(MoO3)2,-8.7036478233,-2.4865543392,0.122549964,0.122549964,GGA+U,Pm,AB2C6_mP18_6_ab_2c_2a2b4c:Ho-Mo-O,18.0,AB2C6_mP18_6_ab_2c_2a2b4c:Ho-Mo-O +mp-1178173,Ho2TeO2,-7.776108982,-3.3358087708,0.0,-0.0960446285,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ho-O-Te,5.0,A2B2C_tI10_139_e_d_a:Ho-O-Te +mp-768908,Ho2TeO2,-7.696813484,-3.2565132728,0.079295498,-0.0167491305,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ho-O-Te,5.0,A2B2C_hP5_164_d_d_a:Ho-O-Te +mp-1178172,Ho2TeO2,-7.704272069,-3.2639718578,0.071836913,-0.0242077155,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_b:Ho-O-Te,10.0,A2B2C_hP10_194_f_f_b:Ho-O-Te +mp-1204277,Ho2Te(Mo3O23)2,-6.365458992,-0.8212825373,0.5205204488,0.5205204488,GGA+U,P-1,A2B6C46D_aP55_2_i_3i_23i_a:Ho-Mo-O-Te,55.0,A2B6C46D_aP55_2_i_3i_23i_a:Ho-Mo-O-Te +mp-542514,Ho2Te4O11,-6.7882463676,-2.3087394772,0.0,-0.0006046322,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Ho-O-Te,34.0,A2B11C4_mC68_15_f_e5f_2f:Ho-O-Te +mp-16811,Ho2MoO6,-8.7169830131,-3.1958052222,0.0,-0.0271856754,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Ho-Mo-O,36.0,A2BC6_mC72_15_2ef_f_6f:Ho-Mo-O +mp-29142,Ho2Mo4O15,-8.5605791548,-2.5249720667,0.0,-0.0054234066,GGA+U,P2_1/c,A2B4C15_mP42_14_e_2e_a7e:Ho-Mo-O,42.0,"Invalid WP multiplicities - A2B4C15_mP42_14_e_2e_a8e:Ho-Mo-O, expected Ho2Mo4O17 to be Ho2Mo4O15" +mp-14801,Ho4Mo4O11,-8.8506702589,-2.7387854303,0.1829164629,0.1829164629,GGA+U,Pbam,A4B4C11_oP76_55_2g2h_ghi_e2g2h3i:Ho-Mo-O,76.0,"Invalid WP multiplicities - A4B4C11_oP76_55_2g2h_ghi_e2g4h5i:Ho-Mo-O, expected Ho4Mo4O17 to be Ho4Mo4O11" +mp-1044802,Ba2AlNi2F11,-5.903464796,-3.392835564,0.1135973549,0.1135973549,GGA+U,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-Ni,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-Ni, expected Ba5AlNi5F31 to be Ba2AlNi2F11" +mp-1228099,BaAlF5,-6.2109410931,-4.0363774349,0.0093796773,-0.0008245782,GGA,P1,ABC5_aP42_1_6a_6a_30a:Al-Ba-F,42.0,ABC5_aP42_1_6a_6a_30a:Al-Ba-F +mp-555846,BaAlF5,-6.2071199654,-4.0325563071,0.013200805,0.0029965495,GGA,P2_1,ABC5_mP28_4_2a_2a_10a:Al-Ba-F,28.0,"Invalid WP multiplicities - ABC5_mP28_4_2a_2a_19a:Al-Ba-F, expected Ba2Al2F19 to be BaAlF5" +mp-555144,BaAlF5,-6.2154028461,-4.0408391879,0.0049179243,-0.0052863312,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Al-Ba-F,56.0,"Invalid WP multiplicities - ABC5_mP56_14_5e_7e_38e:Al-Ba-F, expected Ba7Al5F38 to be BaAlF5" +mp-4376,BaAlF5,-6.2203207704,-4.0457571121,0.0,-0.0102042555,GGA,P2_12_12_1,ABC5_oP28_19_a_a_5a:Al-Ba-F,28.0,ABC5_oP28_19_a_a_5a:Al-Ba-F +mp-12549,BaAl9Ni2,-4.2935208417,-0.3610682775,0.0045565056,0.0045565056,GGA,P6/mmm,A9BC2_hP12_191_fm_a_c:Al-Ba-Ni,12.0,A9BC2_hP12_191_fm_a_c:Al-Ba-Ni +mp-1197073,Ba5Al3F19,-6.189663903,-4.0730082521,0.0063870308,0.0063870308,GGA,I4/m,A3B5C19_tI108_87_eh_d2h_ab3h3i:Al-Ba-F,54.0,A3B5C19_tI108_87_eh_d2h_ab3h3i:Al-Ba-F +mp-3361,Ba3Al2F12,-6.2029973569,-4.0744194693,0.0,-0.007021746,GGA,Pnnm,A2B3C12_oP68_58_h_e2g_f3g4h:Al-Ba-F,68.0,"Invalid WP multiplicities - A2B3C12_oP68_58_h_e2g_f3g5h:Al-Ba-F, expected Ba3Al2F14 to be Ba3Al2F12" +mp-555438,Ba3AlF9,-6.1405433509,-4.0862501695,0.0191724463,0.0191724463,GGA,Pnc2,AB3C9_oP104_30_2ac_2b5c_ab17c:Al-Ba-F,104.0,"Invalid WP multiplicities - AB3C9_oP104_30_4a2c_4b17c_2a2b64c:Al-Ba-F, expected Ba19Al4F66 to be Ba3AlF9" +mp-28642,Ba3AlF9,-6.1483575227,-4.0940643413,0.0113582745,0.0113582745,GGA,Pnma,AB3C9_oP104_62_2c_6c_6c6d:Al-Ba-F,104.0,AB3C9_oP104_62_2c_6c_6c6d:Al-Ba-F +mp-556863,Ba3AlF9,-6.1538545735,-4.0995613921,0.0058612238,0.0058612238,GGA,Pnma,AB3C9_oP52_62_c_3c_3c3d:Al-Ba-F,52.0,"Invalid WP multiplicities - AB3C9_oP52_62_c_7c_11c17d:Al-Ba-F, expected Ba7AlF45 to be Ba3AlF9" +mp-38070,Rb(TeO3)2,-5.7435386494,-1.6382855243,0.0,-0.043768007,GGA,Fd-3m,A6BC2_cF72_227_f_a_d:O-Rb-Te,18.0,A6BC2_cF72_227_f_a_d:O-Rb-Te +mp-1204243,Rb4Te8O23,-5.721287269,-1.6400751606,0.0,-0.0029013574,GGA,Pna2_1,A23B4C8_oP140_33_23a_4a_8a:O-Rb-Te,140.0,"Invalid WP multiplicities - A23B4C8_oP140_62_7c15d_4c_ab4cd:O-Rb-Te, expected Rb4Te8O37 to be Rb4Te8O23" +mp-561228,Rb4Te8O23,-5.7194120219,-1.6381999134,0.0018752471,-0.0010261103,GGA,Pnma,A23B4C8_oP140_62_7c8d_4c_ab4cd:O-Rb-Te,140.0,"Invalid WP multiplicities - A23B4C8_oP140_62_27c62d_15c_3a3b14c6d:O-Rb-Te, expected Rb15Te32O151 to be Rb4Te8O23" +mp-975190,RbTeO3,-5.36641869,-1.5736374701,0.1425068137,0.1425068137,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Te,5.0,A3BC_cP5_221_c_a_b:O-Rb-Te +mp-1219780,Rb2(TeO4)3,-5.3780585,-1.2162202435,0.1769769929,0.1769769929,GGA,R-3m,A12B2C3_hR51_166_2h_c_d:O-Rb-Te,17.0,"Invalid WP multiplicities - A12B2C3_hR51_166_9h_c_d:O-Rb-Te, expected Rb2(TeO18)3 to be Rb2(TeO4)3" +mp-8248,Rb2TeO3,-5.157005785,-1.832932423,0.0,-0.1193617267,GGA,C2/m,A3B2C_mC24_12_ij_aci_i:O-Rb-Te,12.0,"Invalid WP multiplicities - A3B2C_mC24_12_ij_ad2i_i:O-Rb-Te, expected Rb3TeO3 to be Rb2TeO3" +mp-1191418,Rb4Sn(Te2O)2,-3.8984564941,-1.1349738449,0.2024376108,0.2024376108,GGA,C2/c,A2B4CD4_mC44_15_f_2f_e_2f:O-Rb-Sn-Te,22.0,A2B4CD4_mC44_15_f_2f_e_2f:O-Rb-Sn-Te +mp-31039,Rb6Te2O9,-5.1240922797,-1.7893855372,0.0,-0.1786929509,GGA,C2/c,A9B6C2_mC68_15_e4f_3f_2e:O-Rb-Te,34.0,A9B6C2_mC68_15_e4f_3f_2e:O-Rb-Te +mp-1079176,Sm2Fe2Se2O3,-7.6548885178,-2.2983214312,0.0733734868,0.0733734868,GGA+U,I4/mmm,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Se-Sm,9.0,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Se-Sm +mp-17271,Sm4FeSe6O,-6.5390635083,-2.1001865644,0.0546196022,0.0546196022,GGA+U,P6_3mc,ABC6D4_hP24_186_a_b_2c_bc:Fe-O-Se-Sm,24.0,ABC6D4_hP24_186_a_b_2c_bc:Fe-O-Se-Sm +mp-1094126,Sm2Fe2O5,-8.2915985778,-2.6126365504,0.192052489,0.192052489,GGA+U,P1,A2B5C2_aP9_1_2a_5a_2a:Fe-O-Sm,9.0,A2B5C2_aP9_1_2a_5a_2a:Fe-O-Sm +mp-1076463,Sm2Fe2O5,-8.3686990544,-2.6897370271,0.1149520124,0.1149520124,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Fe-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Fe-O-Sm +mp-20243,SmFeO3,-8.4103017015,-2.8045670058,0.0,-0.0114272168,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Sm +mp-1105437,SmFeO3,-8.075469965,-2.4697352693,0.3348317365,0.3234045197,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Sm +mp-1099588,SmFeO3,-8.187931516,-2.5821968203,0.2223701855,0.2109429687,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Sm,5.0,AB3C_cP5_221_b_c_a:Fe-O-Sm +mp-793791,Sm(FeO2)2,-8.1882507986,-2.2674817414,0.1592534154,0.1592534154,GGA+U,R3m,A2B4C_hR21_160_2a_4a_a:Fe-O-Sm,7.0,A2B4C_hR21_160_2a_4a_a:Fe-O-Sm +mp-755338,Sm(FeO2)2,-8.2737455143,-2.3529764571,0.0737586996,0.0737586996,GGA+U,R-3m,A2B4C_hR21_166_c_2c_a:Fe-O-Sm,7.0,"Invalid WP multiplicities - A2B4C_hR21_166_c_3c_a:Fe-O-Sm, expected Sm(FeO3)2 to be Sm(FeO2)2" +mp-1105484,Sm3FeO6,-8.566373507,-3.3357823188,0.0,-0.0021408941,GGA+U,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Fe-O-Sm,20.0,AB6C3_oC40_36_a_2a2b_ab:Fe-O-Sm +mp-14139,Sm3Fe5O12,-8.3107334646,-2.5174270151,0.0129619215,0.0129619215,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Sm,80.0,A5B12C3_cI160_230_ad_h_c:Fe-O-Sm +mp-776689,Li3Fe2F9,-5.6495275855,-2.8016617479,0.0845855807,0.0845855807,GGA+U,Pnma,A9B2C3_oP56_62_3c3d_d_3c:F-Fe-Li,56.0,"Invalid WP multiplicities - A9B2C3_oP56_62_9c12d_d_9c:F-Fe-Li, expected Li9Fe2F33 to be Li3Fe2F9" +mp-774866,Li3Fe2F9,-5.6589486961,-2.8110828584,0.0751644701,0.0751644701,GGA+U,P-62c,A9B2C3_hP28_190_hi_e_cf:F-Fe-Li,28.0,"Invalid WP multiplicities - A9B2C3_hP28_190_5h4i_e_2c2f:F-Fe-Li, expected Li6Fe2F39 to be Li3Fe2F9" +mp-776099,Li11Fe6F29,-5.5934934813,-2.8271637237,0.0877907929,0.0877907929,GGA+U,C2/m,A29B6C11_mC92_12_af5i4j_3i_b5i:F-Fe-Li,46.0,"Invalid WP multiplicities - A29B6C11_mC92_12_ae10i8j_5i_b9i:F-Fe-Li, expected Li19Fe10F55 to be Li11Fe6F29" +mp-776754,Li2Fe3F8,-6.1676935615,-2.7430980921,0.0256089035,0.0256089035,GGA+U,P-1,A8B3C2_aP13_2_4i_ai_i:F-Fe-Li,13.0,"Invalid WP multiplicities - A8B3C2_aP13_2_7i_ai_i:F-Fe-Li, expected Li2Fe3F14 to be Li2Fe3F8" +mp-1178071,Li2Fe3F8,-6.0807439085,-2.656148439,0.1125585565,0.1125585565,GGA+U,P-1,A8B3C2_aP26_2_8i_3i_2i:F-Fe-Li,26.0,"Invalid WP multiplicities - A8B3C2_aP26_2_15i_4i_3i:F-Fe-Li, expected Li3Fe4F15 to be Li2Fe3F8" +mp-777924,Li2Fe3F8,-5.9040617121,-2.4794662426,0.2892407529,0.2892407529,GGA+U,P2_1/c,A8B3C2_mP52_14_8e_3e_2e:F-Fe-Li,52.0,"Invalid WP multiplicities - A8B3C2_mP52_14_31e_9e_3e:F-Fe-Li, expected Li3Fe9F31 to be Li2Fe3F8" +mp-780638,Li2Fe3F8,-6.103610166,-2.6790146965,0.089692299,0.089692299,GGA+U,P2_1/c,A8B3C2_mP52_14_8e_3e_2e:F-Fe-Li,52.0,"Invalid WP multiplicities - A8B3C2_mP52_14_31e_5e_3e:F-Fe-Li, expected Li3Fe5F31 to be Li2Fe3F8" +mp-776642,Li2Fe3F8,-6.1108348388,-2.6862393694,0.0824676262,0.0824676262,GGA+U,P2_1/c,A8B3C2_mP26_14_4e_ae_e:F-Fe-Li,26.0,"Invalid WP multiplicities - A8B3C2_mP26_14_13e_2a2e_e:F-Fe-Li, expected LiFe3F13 to be Li2Fe3F8" +mp-776648,Li2Fe3F8,-6.1275266608,-2.7029311913000003,0.0657758042,0.0657758042,GGA+U,P2_1/c,A8B3C2_mP26_14_4e_ae_e:F-Fe-Li,26.0,"Invalid WP multiplicities - A8B3C2_mP26_14_15e_2a2e_e:F-Fe-Li, expected LiFe3F15 to be Li2Fe3F8" +mp-776727,Li2Fe3F8,-6.1337245321000005,-2.7091290626,0.0595779329,0.0595779329,GGA+U,P2_1/c,A8B3C2_mP52_14_8e_3e_2e:F-Fe-Li,52.0,"Invalid WP multiplicities - A8B3C2_mP52_14_19e_5e_3e:F-Fe-Li, expected Li3Fe5F19 to be Li2Fe3F8" +mp-776657,Li2Fe3F8,-6.1388843665,-2.7142888971,0.0544180985,0.0544180985,GGA+U,Pnnm,A8B3C2_oP26_58_2gh_af_g:F-Fe-Li,26.0,"Invalid WP multiplicities - A8B3C2_oP26_58_5g4h_a2f_g:F-Fe-Li, expected Li2Fe5F26 to be Li2Fe3F8" +mp-1177989,Li2Fe3F8,-6.1594887177,-2.7348932482,0.0338137473,0.0338137473,GGA+U,Cmce,A8B3C2_oC52_64_2fg_ae_f:F-Fe-Li,26.0,"Invalid WP multiplicities - A8B3C2_oC52_64_6f3g_2a3e_f:F-Fe-Li, expected LiFe4F12 to be Li2Fe3F8" +mp-776758,Li2Fe3F8,-6.1290496008,-2.7044541313,0.0642528642,0.0642528642,GGA+U,I4_1/a,A8B3C2_tI104_88_4f_abf_f:F-Fe-Li,52.0,"Invalid WP multiplicities - A8B3C2_tI104_88_21f_2a2b3f_f:F-Fe-Li, expected LiFe4F21 to be Li2Fe3F8" +mp-776732,Li2Fe3F8,-6.11230877,-2.6877133005,0.080993695,0.080993695,GGA+U,R-3m,A8B3C2_hR39_166_ch_d_c:F-Fe-Li,13.0,"Invalid WP multiplicities - A8B3C2_hR39_166_c2h_d_c:F-Fe-Li, expected Li2Fe3F14 to be Li2Fe3F8" +mp-1211292,LiTiFeF6,-6.3905771381,-3.0857649272,0.1439339303,0.1439339303,GGA+U,P321,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Li-Ti,27.0,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Li-Ti +mp-849574,LiFe8F33,-5.2608885107,-2.1002242613,0.1053166427,0.1053166427,GGA+U,P31c,A33B8C_hP84_159_11c_ab2c_b:F-Fe-Li,84.0,"Invalid WP multiplicities - A33B8C_hP84_159_64c_a2b6c_b:F-Fe-Li, expected LiFe21F192 to be LiFe8F33" +mp-776683,Li3FeF5,-5.5008047135,-2.8614508638,0.1132311849,0.1132311849,GGA+U,Pbca,A5BC3_oP72_61_5c_c_3c:F-Fe-Li,72.0,"Invalid WP multiplicities - A5BC3_oP72_61_17c_c_9c:F-Fe-Li, expected Li9FeF17 to be Li3FeF5" +mp-776129,Li3FeF5,-5.5615947081,-2.9222408583,0.0524411903,0.0524411903,GGA+U,Pnma,A5BC3_oP36_62_3cd_c_cd:F-Fe-Li,36.0,"Invalid WP multiplicities - A5BC3_oP36_62_11c2d_c_2c3d:F-Fe-Li, expected Li8FeF15 to be Li3FeF5" +mp-776022,Li3FeF5,-5.5126152572,-2.8732614075000003,0.1014206411,0.1014206411,GGA+U,P4_1,A5BC3_tP36_76_5a_a_3a:F-Fe-Li,36.0,"Invalid WP multiplicities - A5BC3_tP36_76_17a_a_11a:F-Fe-Li, expected Li11FeF17 to be Li3FeF5" +mp-849291,Li5Fe3F14,-5.6595638682,-2.8543191633,0.0469341954,0.0469341954,GGA+U,Pna2_1,A14B3C5_oP88_33_14a_3a_5a:F-Fe-Li,88.0,"Invalid WP multiplicities - A14B3C5_oP88_33_53a_9a_17a:F-Fe-Li, expected Li17Fe9F53 to be Li5Fe3F14" +mp-755653,LiFeF5,-5.3049911707,-2.4569427544,0.0063981859,0.0063981859,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Fe-Li,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e7f_a_e:F-Fe-Li, expected LiFeF16 to be LiFeF5" +mp-775765,LiFeF5,-5.2054624686,-2.3574140523,0.105926888,0.105926888,GGA+U,Pbcm,A5BC_oP28_57_d2e_d_c:F-Fe-Li,28.0,"Invalid WP multiplicities - A5BC_oP28_57_d4e_d_c:F-Fe-Li, expected LiFeF9 to be LiFeF5" +mp-776151,LiFeF5,-5.2545403093,-2.406491893,0.0568490473,0.0568490473,GGA+U,Pnma,A5BC_oP28_62_c2d_c_c:F-Fe-Li,28.0,"Invalid WP multiplicities - A5BC_oP28_62_2c7d_c_c:F-Fe-Li, expected LiFeF16 to be LiFeF5" +mp-776153,LiFeF5,-5.2135532611,-2.3655048448,0.0978360955,0.0978360955,GGA+U,Pnma,A5BC_oP28_62_c2d_c_c:F-Fe-Li,28.0,"Invalid WP multiplicities - A5BC_oP28_62_3c6d_c_c:F-Fe-Li, expected LiFeF15 to be LiFeF5" +mp-776734,LiFeF5,-5.2027160386,-2.3546676223,0.108673318,0.108673318,GGA+U,Pnma,A5BC_oP56_62_2c4d_2c_2c:F-Fe-Li,56.0,"Invalid WP multiplicities - A5BC_oP56_62_8c13d_5c_5c:F-Fe-Li, expected Li5Fe5F34 to be LiFeF5" +mp-776770,LiFeF5,-5.2595080334,-2.4114596171,0.0518813232,0.0518813232,GGA+U,I4_1/a,A5BC_tI112_88_5f_f_f:F-Fe-Li,56.0,"Invalid WP multiplicities - A5BC_tI112_88_23f_f_f:F-Fe-Li, expected LiFeF23 to be LiFeF5" +mp-754747,Li2FeF4,-5.6662487371,-2.8185654781,0.1014701279,0.1014701279,GGA+U,P1,A4BC2_aP14_1_8a_2a_4a:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_mC28_5_8c_c_abc:F-Fe-Li, expected Li2FeF8 to be Li2FeF4" +mp-849493,Li2FeF4,-5.7390769221,-2.8913936631,0.0286419429,0.0286419429,GGA+U,P2_1,A4BC2_mP14_4_4a_a_2a:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_mP14_4_7a_a_3a:F-Fe-Li, expected Li3FeF7 to be Li2FeF4" +mp-777418,Li2FeF4,-5.7391626986,-2.8914794395000003,0.0285561664,0.0285561664,GGA+U,P2/c,A4BC2_mP14_13_2g_e_g:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_mP14_13_7g_e_g:F-Fe-Li, expected Li2FeF14 to be Li2FeF4" +mp-754457,Li2FeF4,-5.6947078893,-2.8470246302,0.0730109757,0.0730109757,GGA+U,P2_1/c,A4BC2_mP14_14_2e_a_e:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_mP14_14_7e_a_e:F-Fe-Li, expected Li2FeF14 to be Li2FeF4" +mp-777457,Li2FeF4,-5.7000787432,-2.8523954842,0.0676401218,0.0676401218,GGA+U,P2_1/c,A4BC2_mP56_14_8e_2e_4e:F-Fe-Li,56.0,"Invalid WP multiplicities - A4BC2_mP56_14_23e_3e_15e:F-Fe-Li, expected Li15Fe3F23 to be Li2FeF4" +mp-777669,Li2FeF4,-5.6952538707,-2.8475706117,0.0724649943,0.0724649943,GGA+U,P2_1/c,A4BC2_mP56_14_8e_2e_4e:F-Fe-Li,56.0,"Invalid WP multiplicities - A4BC2_mP56_14_29e_3e_15e:F-Fe-Li, expected Li15Fe3F29 to be Li2FeF4" +mp-777673,Li2FeF4,-5.6796546357,-2.8319713767,0.0880642293,0.0880642293,GGA+U,P2_1/c,A4BC2_mP28_14_4e_e_2e:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_mP28_14_13e_e_5e:F-Fe-Li, expected Li5FeF13 to be Li2FeF4" +mp-777781,Li2FeF4,-5.6881177911,-2.840434532,0.0796010739,0.0796010739,GGA+U,P2_1/c,A4BC2_mP28_14_4e_e_2e:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_mP28_14_15e_e_3e:F-Fe-Li, expected Li3FeF15 to be Li2FeF4" +mp-849991,Li2FeF4,-5.6726150704,-2.8249318113,0.0951037946,0.0951037946,GGA+U,P2_1/c,A4BC2_mP84_14_12e_3e_6e:F-Fe-Li,84.0,"Invalid WP multiplicities - A4BC2_mP84_14_47e_11e_21e:F-Fe-Li, expected Li21Fe11F47 to be Li2FeF4" +mp-755741,Li2FeF4,-5.7354473786,-2.8877641195,0.0322714864,0.0322714864,GGA+U,C2/c,A4BC2_mC28_15_2f_e_f:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_mC28_15_3f_e_f:F-Fe-Li, expected Li2FeF6 to be Li2FeF4" +mp-777664,Li2FeF4,-5.7021131543,-2.8544298952,0.0656057107,0.0656057107,GGA+U,Pmc2_1,A4BC2_oP14_26_2a2b_a_2b:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oP14_26_4a4b_a_4b:F-Fe-Li, expected Li4FeF8 to be Li2FeF4" +mp-777471,Li2FeF4,-5.7129667132,-2.8652834542,0.0547521518,0.0547521518,GGA+U,Pna2_1,A4BC2_oP28_33_4a_a_2a:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_oP28_33_13a_a_5a:F-Fe-Li, expected Li5FeF13 to be Li2FeF4" +mp-778700,Li2FeF4,-5.6994859988,-2.8518027397,0.0682328662,0.0682328662,GGA+U,Pna2_1,A4BC2_oP56_33_8a_2a_4a:F-Fe-Li,56.0,"Invalid WP multiplicities - A4BC2_oP56_33_29a_5a_13a:F-Fe-Li, expected Li13Fe5F29 to be Li2FeF4" +mp-777451,Li2FeF4,-5.7165409668,-2.8688577077,0.0511778982,0.0511778982,GGA+U,Pnn2,A4BC2_oP56_34_8c_2ac_a3b2c:F-Fe-Li,56.0,"Invalid WP multiplicities - A4BC2_oP56_34_29c_4a2c_2a6b6c:F-Fe-Li, expected Li10Fe4F29 to be Li2FeF4" +mp-754579,Li2FeF4,-5.7417923579,-2.8941090988,0.0259265071,0.0259265071,GGA+U,Pbam,A4BC2_oP14_55_gh_a_h:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oP14_55_2g3h_b_g:F-Fe-Li, expected Li2FeF10 to be Li2FeF4" +mp-777665,Li2FeF4,-5.6935579996,-2.8458747406,0.0741608654,0.0741608654,GGA+U,Pnma,A4BC2_oP28_62_4c_c_2c:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_oP28_62_13c_c_5c:F-Fe-Li, expected Li5FeF13 to be Li2FeF4" +mp-755747,Li2FeF4,-5.70392545,-2.856242191,0.063793415,0.063793415,GGA+U,Cmcm,A4BC2_oC28_63_acf_c_f:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oC28_63_a2c2f_c_f:F-Fe-Li, expected Li2FeF7 to be Li2FeF4" +mp-777588,Li2FeF4,-5.6645511279,-2.8168678688,0.1031677371,0.1031677371,GGA+U,Cmcm,A4BC2_oC28_63_fg_c_ac:F-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oC28_63_f2g_c_a2c:F-Fe-Li, expected Li3FeF6 to be Li2FeF4" +mp-755356,Li2FeF4,-5.66975481,-2.822071551,0.097964055,0.097964055,GGA+U,Cmmm,A4BC2_oC14_65_gj_a_f:F-Fe-Li,7.0,"Invalid WP multiplicities - A4BC2_oC14_65_2hi_a_f:F-Fe-Li, expected Li2FeF6 to be Li2FeF4" +mp-755718,Li2FeF4,-5.67706916,-2.829385901,0.090649705,0.090649705,GGA+U,I-4,A4BC2_tI14_82_g_a_bc:F-Fe-Li,7.0,A4BC2_tI14_82_g_a_bc:F-Fe-Li +mp-849283,Li2FeF4,-5.7484700182,-2.9007867592,0.0192488468,0.0192488468,GGA+U,P4_122,A4BC2_tP28_91_2d_a_bc:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_tP28_91_3d_a_b2c:F-Fe-Li, expected Li3FeF6 to be Li2FeF4" +mp-1177954,Li2FeF4,-5.7020129254,-2.8543296663,0.0657059396,0.0657059396,GGA+U,P4_2/mbc,A4BC2_tP28_135_gh_d_h:F-Fe-Li,28.0,"Invalid WP multiplicities - A4BC2_tP28_135_2g3h_d_h:F-Fe-Li, expected Li2FeF10 to be Li2FeF4" +mp-755154,Li2FeF4,-5.5572261386,-2.7095428795,0.2104927264,0.2104927264,GGA+U,I4/mmm,A4BC2_tI14_139_ce_a_d:F-Fe-Li,7.0,A4BC2_tI14_139_ce_a_d:F-Fe-Li +mp-777466,Li2FeF4,-5.741669377,-2.8939861179,0.026049488,0.026049488,GGA+U,I4_1/amd,A4BC2_tI112_141_2hi_h_fg:F-Fe-Li,56.0,"Invalid WP multiplicities - A4BC2_tI112_141_9h4i_h_5f4g:F-Fe-Li, expected Li9FeF17 to be Li2FeF4" +mp-778532,Li2FeF4,-5.7090039531,-2.861320694,0.0587149119,0.0587149119,GGA+U,R-3,A4BC2_hR126_148_4f_f_2f:F-Fe-Li,42.0,"Invalid WP multiplicities - A4BC2_hR126_148_19f_f_7f:F-Fe-Li, expected Li7FeF19 to be Li2FeF4" +mp-1410541,Li2FeF5,-5.2781560913,-2.5474983686,0.3800155427,0.3800155427,GGA+U,P1,A5BC2_aP16_1_10a_2a_4a:F-Fe-Li,16.0,A5BC2_aP16_1_10a_2a_4a:F-Fe-Li +mp-776107,Li2FeF5,-5.637593795,-2.9069360724,0.020577839,0.020577839,GGA+U,P-1,A5BC2_aP16_2_5i_i_abi:F-Fe-Li,16.0,"Invalid WP multiplicities - A5BC2_aP16_2_9i_i_abi:F-Fe-Li, expected Li2FeF9 to be Li2FeF5" +mp-776177,Li2FeF5,-5.6160626313,-2.8854049086,0.0421090027,0.0421090027,GGA+U,P2_1/c,A5BC2_mP32_14_5e_e_2e:F-Fe-Li,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_13e_e_3e:F-Fe-Li, expected Li3FeF13 to be Li2FeF5" +mp-776635,Li2FeF5,-5.6484463106,-2.917788588,0.0097253233,0.0097253233,GGA+U,C2/c,A5BC2_mC32_15_e2f_a_f:F-Fe-Li,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_2e4f_c_f:F-Fe-Li, expected Li2FeF10 to be Li2FeF5" +mp-775758,Li2FeF5,-5.5665939319,-2.8359362093,0.0915777021,0.0915777021,GGA+U,P2_12_12_1,A5BC2_oP32_19_5a_a_2a:F-Fe-Li,32.0,"Invalid WP multiplicities - A5BC2_oP32_19_17a_a_5a:F-Fe-Li, expected Li5FeF17 to be Li2FeF5" +mp-776155,Li2FeF5,-5.5676248894,-2.8369671668,0.0905467446,0.0905467446,GGA+U,Pna2_1,A5BC2_oP32_33_5a_a_2a:F-Fe-Li,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_9c4d_c_d:F-Fe-Li, expected Li2FeF17 to be Li2FeF5" +mp-776730,Li2FeF5,-5.56897347,-2.8383157474000003,0.089198164,0.089198164,GGA+U,Pbam,A5BC2_oP64_55_2g2h3i_gh_2g2h:F-Fe-Li,64.0,"Invalid WP multiplicities - A5BC2_oP64_55_5g8h12i_2g3h_8g5h:F-Fe-Li, expected Li13Fe5F37 to be Li2FeF5" +mp-775764,Li2FeF5,-5.6041510834,-2.8734933608,0.0540205505,0.0540205505,GGA+U,Pnma,A5BC2_oP32_62_a2cd_c_2c:F-Fe-Li,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_2a6c4d_c_5c:F-Fe-Li, expected Li5FeF16 to be Li2FeF5" +mp-776816,Li2FeF5,-5.5689896184,-2.8383318958,0.0891820155,0.0891820155,GGA+U,Pnma,A5BC2_oP32_62_3cd_c_d:F-Fe-Li,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_9c4d_c_d:F-Fe-Li, expected Li2FeF17 to be Li2FeF5" +mp-753862,Li2FeF5,-5.63695127,-2.9062935474,0.021220364,0.021220364,GGA+U,Cmcm,A5BC2_oC32_63_c2f_c_f:F-Fe-Li,16.0,"Invalid WP multiplicities - A5BC2_oC32_63_c4f_c_f:F-Fe-Li, expected Li2FeF9 to be Li2FeF5" +mp-557403,LiFe2F6,-6.1237675022,-2.7551187143,0.0,-0.0035829189,GGA+U,P4_2nm,A6B2C_tP18_102_3c_2a_a:F-Fe-Li,18.0,A6B2C_tP18_102_3c_2a_a:F-Fe-Li +mp-541669,LiFe2F6,-6.0905745433,-2.7219257554,0.0331929589,0.02961004,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Fe-Li,18.0,A6B2C_tP18_136_fj_e_a:F-Fe-Li +mp-777622,LiFeF3,-5.9928160375,-2.7701398417,0.0515321675,0.0515321675,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:F-Fe-Li,20.0,A3BC_aP20_1_12a_4a_4a:F-Fe-Li +mp-760354,LiFeF3,-5.952500942,-2.7298247462000003,0.091847263,0.091847263,GGA+U,P1,A3BC_aP15_1_9a_3a_3a:F-Fe-Li,15.0,"Invalid WP multiplicities - A3BC_hP15_143_8d_abc_2ab:F-Fe-Li, expected LiFeF8 to be LiFeF3" +mp-775760,LiFeF3,-5.9597592778,-2.737083082,0.0845889272,0.0845889272,GGA+U,P-1,A3BC_aP50_2_15i_5i_5i:F-Fe-Li,50.0,"Invalid WP multiplicities - A3BC_aP50_2_29i_9i_9i:F-Fe-Li, expected Li9Fe9F29 to be LiFeF3" +mp-776604,LiFeF3,-5.9768614095,-2.7541852137,0.0674867955,0.0674867955,GGA+U,P-1,A3BC_aP60_2_18i_ab5i_6i:F-Fe-Li,60.0,"Invalid WP multiplicities - A3BC_hP60_147_4c8d21g_ab2c7d_7g:F-Fe-Li, expected Li21Fe10F75 to be LiFeF3" +mp-756113,LiFeF3,-6.000458599,-2.7777824032,0.043889606,0.043889606,GGA+U,P-1,A3BC_aP20_2_6i_2i_2i:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_3i_3i:F-Fe-Li, expected Li3Fe3F11 to be LiFeF3" +mp-776524,LiFeF3,-5.9673869359000005,-2.74471074,0.0769612691,0.0769612691,GGA+U,P-1,A3BC_aP70_2_21i_7i_7i:F-Fe-Li,70.0,"Invalid WP multiplicities - A3BC_aP70_2_41i_13i_13i:F-Fe-Li, expected Li13Fe13F41 to be LiFeF3" +mp-1176707,LiFeF3,-5.9717481823,-2.7490719865,0.0726000227,0.0726000227,GGA+U,P-1,A3BC_aP30_2_9i_3i_3i:F-Fe-Li,30.0,"Invalid WP multiplicities - A3BC_aP30_2_17i_4i_5i:F-Fe-Li, expected Li5Fe4F17 to be LiFeF3" +mp-1176718,LiFeF3,-5.9619993517,-2.7393231558,0.0823488533,0.0823488533,GGA+U,P-1,A3BC_aP30_2_9i_3i_3i:F-Fe-Li,30.0,"Invalid WP multiplicities - A3BC_aP30_2_17i_5i_5i:F-Fe-Li, expected Li5Fe5F17 to be LiFeF3" +mp-1176724,LiFeF3,-5.8531184236,-2.6304422277,0.1912297814,0.1912297814,GGA+U,P-1,A3BC_aP90_2_27i_9i_9i:F-Fe-Li,90.0,"Invalid WP multiplicities - A3BC_aP90_2_53i_17i_17i:F-Fe-Li, expected Li17Fe17F53 to be LiFeF3" +mp-761166,LiFeF3,-6.02037269,-2.7976964942,0.023975515,0.023975515,GGA+U,Cc,A3BC_mC20_9_3a_a_a:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_mC20_9_6a_a_a:F-Fe-Li, expected LiFeF6 to be LiFeF3" +mp-755179,LiFeF3,-5.9435948100000005,-2.7209186142,0.100753395,0.100753395,GGA+U,P2_1/m,A3BC_mP10_11_ef_e_e:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_mP10_11_2ef_e_e:F-Fe-Li, expected LiFeF4 to be LiFeF3" +mp-780639,LiFeF3,-6.012686197,-2.7900100012,0.031662008,0.031662008,GGA+U,P2_1/m,A3BC_mP10_11_ef_a_e:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_mP10_11_2e2f_a_e:F-Fe-Li, expected LiFeF6 to be LiFeF3" +mp-755103,LiFeF3,-5.9467939385,-2.7241177427,0.0975542665,0.0975542665,GGA+U,C2/m,A3BC_mC40_12_2i2j_gi_hi:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_mC40_12_4i3j_g2i_h2i:F-Fe-Li, expected Li3Fe3F10 to be LiFeF3" +mp-776077,LiFeF3,-6.003502576,-2.7808263802,0.040845629,0.040845629,GGA+U,P2_1/c,A3BC_mP40_14_6e_2e_2e:F-Fe-Li,40.0,"Invalid WP multiplicities - A3BC_mP40_14_23e_7e_3e:F-Fe-Li, expected Li3Fe7F23 to be LiFeF3" +mp-754994,LiFeF3,-5.9892529585,-2.7665767627,0.0550952465,0.0550952465,GGA+U,C2/c,A3BC_mC40_15_3f_f_2e:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_4e:F-Fe-Li, expected Li2FeF9 to be LiFeF3" +mp-754707,LiFeF3,-5.9850982385,-2.7624220427,0.0592499665,0.0592499665,GGA+U,C2/c,A3BC_mC40_15_3f_2e_f:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_3e_f:F-Fe-Li, expected Li2Fe3F18 to be LiFeF3" +mp-1176698,LiFeF3,-6.008428476,-2.7857522802,0.035919729,0.035919729,GGA+U,C222_1,A3BC_oC20_20_bc_a_a:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_oC20_20_2bc_a_a:F-Fe-Li, expected LiFeF4 to be LiFeF3" +mp-777522,LiFeF3,-6.021427504,-2.7987513082,0.022920701,0.022920701,GGA+U,Cmc2_1,A3BC_oC20_36_3a_a_a:F-Fe-Li,10.0,A3BC_oC20_36_3a_a_a:F-Fe-Li +mp-777672,LiFeF3,-5.9752016050000005,-2.7525254092,0.0691466,0.0691466,GGA+U,Amm2,A3BC_oC20_38_2de_e_2a:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_oC20_65_h2p_f_ab:F-Fe-Li, expected LiFeF5 to be LiFeF3" +mp-776080,LiFeF3,-6.0159728878,-2.7932966919,0.0283753172,0.0283753172,GGA+U,Pccn,A3BC_oP40_56_cd2e_e_e:F-Fe-Li,40.0,"Invalid WP multiplicities - A3BC_oP40_56_2c2d7e_e_e:F-Fe-Li, expected LiFeF9 to be LiFeF3" +mp-1176706,LiFeF3,-6.0108924555,-2.7882162597,0.0334557495,0.0334557495,GGA+U,Pbcm,A3BC_oP20_57_c2d_a_d:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP10_51_2e3j_a_f:F-Fe-Li, expected LiFeF8 to be LiFeF3" +mp-776017,LiFeF3,-5.9937186855,-2.7710424897,0.0506295195,0.0506295195,GGA+U,Pbcn,A3BC_oP40_60_3d_2c_d:F-Fe-Li,40.0,"Invalid WP multiplicities - A3BC_oP40_60_9d_6c_d:F-Fe-Li, expected LiFe3F9 to be LiFeF3" +mp-780803,LiFeF3,-6.0051639331,-2.7824877373,0.0391842719,0.0391842719,GGA+U,Pbca,A3BC_oP80_61_6c_2c_2c:F-Fe-Li,80.0,"Invalid WP multiplicities - A3BC_oP80_61_21c_5c_5c:F-Fe-Li, expected Li5Fe5F21 to be LiFeF3" +mp-756109,LiFeF3,-5.9810104775,-2.7583342817,0.0633377275,0.0633377275,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:F-Fe-Li, expected LiFeF7 to be LiFeF3" +mp-754816,LiFeF3,-6.004866095,-2.7821898992,0.03948211,0.03948211,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:F-Fe-Li, expected LiFeF7 to be LiFeF3" +mp-777899,LiFeF3,-5.977178673,-2.7545024772,0.067169532,0.067169532,GGA+U,Pnma,A3BC_oP20_62_3c_c_c:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:F-Fe-Li, expected LiFeF9 to be LiFeF3" +mp-754581,LiFeF3,-5.9623874185,-2.7397112227,0.0819607865,0.0819607865,GGA+U,Pnma,A3BC_oP20_62_3c_c_c:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:F-Fe-Li, expected LiFeF9 to be LiFeF3" +mp-755575,LiFeF3,-5.948791043,-2.7261148472,0.095557162,0.095557162,GGA+U,Pnma,A3BC_oP20_62_3c_c_c:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oP20_62_9c_c_c:F-Fe-Li, expected LiFeF9 to be LiFeF3" +mp-755136,LiFeF3,-5.956579181,-2.7339029852000003,0.087769024,0.087769024,GGA+U,Cmcm,A3BC_oC20_63_cf_c_a:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_oC20_63_2c2f_c_a:F-Fe-Li, expected LiFeF6 to be LiFeF3" +mp-1176705,LiFeF3,-5.9753444875,-2.7526682917,0.0690037175,0.0690037175,GGA+U,Cmcm,A3BC_oC40_63_f2g_d_2c:F-Fe-Li,20.0,"Invalid WP multiplicities - A3BC_oC20_65_h2p_f_2ab:F-Fe-Li, expected Li3Fe2F10 to be LiFeF3" +mp-1407616,LiFeF3,-5.47717066,-2.2544944642,0.5671775450000001,0.5671775450000001,GGA+U,Cmmm,A3BC_oC20_65_hp_f_ab:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_oC20_65_h2p_f_ab:F-Fe-Li, expected LiFeF5 to be LiFeF3" +mp-776026,LiFeF3,-5.9430534548,-2.7203772589,0.1012947502,0.1012947502,GGA+U,P4_2/n,A3BC_tP40_86_3g_g_abc:F-Fe-Li,40.0,"Invalid WP multiplicities - A3BC_tP40_86_21g_g_2a2b2c:F-Fe-Li, expected Li2FeF21 to be LiFeF3" +mp-776027,LiFeF3,-5.9517590205,-2.7290828247,0.0925891845,0.0925891845,GGA+U,P4_2/n,A3BC_tP40_86_3g_g_g:F-Fe-Li,40.0,"Invalid WP multiplicities - A3BC_tP40_86_21g_g_g:F-Fe-Li, expected LiFeF21 to be LiFeF3" +mp-777683,LiFeF3,-5.935950602,-2.7132744062,0.108397603,0.108397603,GGA+U,I4_1/a,A3BC_tI160_88_6f_cef_abdf:F-Fe-Li,80.0,"Invalid WP multiplicities - A3BC_tI160_88_31f_3c3e2f_2a2b3d5f:F-Fe-Li, expected Li15Fe10F62 to be LiFeF3" +mp-1097043,LiFeF3,-5.86642065,-2.6437444542,0.177927555,0.177927555,GGA+U,I4/mcm,A3BC_tI20_140_ah_c_b:F-Fe-Li,10.0,A3BC_tI20_140_ah_c_b:F-Fe-Li +mp-777888,LiFeF3,-6.008078518,-2.7854023222,0.036269687,0.036269687,GGA+U,R3,A3BC_hR60_146_4b_ab_ab:F-Fe-Li,20.0,A3BC_cP20_198_b_a_a:F-Fe-Li +mp-754051,LiFeF3,-5.797996269,-2.5753200732,0.246351936,0.246351936,GGA+U,R-3,A3BC_hR30_148_f_c_c:F-Fe-Li,10.0,A3BC_hR30_148_f_c_c:F-Fe-Li +mp-777489,LiFeF3,-5.9518997183,-2.7292235225,0.0924484867,0.0924484867,GGA+U,R-3,A3BC_hR90_148_3f_f_f:F-Fe-Li,30.0,"Invalid WP multiplicities - A3BC_hR90_148_13f_f_f:F-Fe-Li, expected LiFeF13 to be LiFeF3" +mp-777470,LiFeF3,-5.831450833,-2.6087746372,0.212897372,0.212897372,GGA+U,R-3c,A3BC_hR90_167_acf_bc_e:F-Fe-Li,30.0,"Invalid WP multiplicities - A3BC_hR90_167_2a3c6f_2bc_e:F-Fe-Li, expected Li3Fe4F44 to be LiFeF3" +mp-1446564,LiFeF3,-5.629792561,-2.4071163652,0.414555644,0.414555644,GGA+U,P6_322,A3BC_hP10_182_g_c_b:F-Fe-Li,10.0,"Invalid WP multiplicities - A3BC_oC20_20_2bc_a_a:F-Fe-Li, expected LiFeF4 to be LiFeF3" +mp-1176709,LiFeF3,-5.988241202,-2.7655650062,0.056107003,0.056107003,GGA+U,P2_13,A3BC_cP20_198_b_a_a:F-Fe-Li,20.0,A3BC_cP20_198_b_a_a:F-Fe-Li +mp-778245,Li4FeF8,-5.1377262648,-2.7225305404,0.0749119475,0.0749119475,GGA+U,Pnma,A8BC4_oP52_62_2c3d_c_2d:F-Fe-Li,52.0,"Invalid WP multiplicities - A8BC4_oP52_62_8c9d_c_5d:F-Fe-Li, expected Li10FeF26 to be Li4FeF8" +mp-776687,Li5FeF8,-5.3731589257,-2.9941255483,0.0427779992,0.0427779992,GGA+U,Cmmm,A8BC5_oC28_65_ghn_a_dm:F-Fe-Li,14.0,"Invalid WP multiplicities - A8BC5_oC28_65_2g2hn_a_d2m:F-Fe-Li, expected Li9FeF12 to be Li5FeF8" +mp-776715,Li3Fe2F7,-5.8228042242,-2.8188739081,0.0601768658,0.0601768658,GGA+U,P2_1/c,A7B2C3_mP48_14_7e_2e_3e:F-Fe-Li,48.0,"Invalid WP multiplicities - A7B2C3_mP48_14_27e_5e_11e:F-Fe-Li, expected Li11Fe5F27 to be Li3Fe2F7" +mp-777444,Li3Fe2F7,-5.8377949421,-2.833864626,0.0451861479,0.0451861479,GGA+U,C2/c,A7B2C3_mC48_15_e3f_f_cf:F-Fe-Li,24.0,"Invalid WP multiplicities - A7B2C3_mC48_15_2e11f_f_a2f:F-Fe-Li, expected Li5Fe2F24 to be Li3Fe2F7" +mp-776050,LiFe2F9,-5.2595498017,-2.2551934688,0.0804053474,0.0804053474,GGA+U,P-1,A9B2C_aP24_2_9i_2i_i:F-Fe-Li,24.0,"Invalid WP multiplicities - A9B2C_aP24_2_17i_3i_i:F-Fe-Li, expected LiFe3F17 to be LiFe2F9" +mp-774403,LiFe2F9,-5.2524128192,-2.2480564863,0.0875423299,0.0875423299,GGA+U,Cc,A9B2C_mC48_9_9a_2a_a:F-Fe-Li,24.0,"Invalid WP multiplicities - A9B2C_mC48_9_18a_4a_a:F-Fe-Li, expected LiFe4F18 to be LiFe2F9" +mp-1348117,LiFe2F9,-3.5818809771,-0.5775246442,1.7580741719,1.7580741719,GGA+U,P-1,A9B2C_aP24_2_9i_2i_i:F-Fe-Li,24.0,"Invalid WP multiplicities - A9B2C_aP24_2_17i_3i_i:F-Fe-Li, expected LiFe3F17 to be LiFe2F9" +mp-754569,LiFeF4,-5.7524152633,-2.7482719389,0.0829532792,0.0829532792,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_15_3f_a_e:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-1393169,LiFeF4,-5.417178325,-2.4130350006,0.4181902175,0.4181902175,GGA+U,P1,A4BC_aP12_1_8a_2a_2a:F-Fe-Li,12.0,A4BC_aP12_1_8a_2a_2a:F-Fe-Li +mp-777920,LiFeF4,-5.7437101475,-2.7395668231,0.091658395,0.091658395,GGA+U,P-1,A4BC_aP36_2_12i_3i_3i:F-Fe-Li,36.0,"Invalid WP multiplicities - A4BC_aP36_2_23i_5i_5i:F-Fe-Li, expected Li5Fe5F23 to be LiFeF4" +mp-777700,LiFeF4,-5.7672069883,-2.7630636639,0.0681615542,0.0681615542,GGA+U,P-1,A4BC_aP36_2_12i_3i_3i:F-Fe-Li,36.0,"Invalid WP multiplicities - A4BC_aP36_2_23i_5i_5i:F-Fe-Li, expected Li5Fe5F23 to be LiFeF4" +mp-776094,LiFeF4,-5.7628387358,-2.7586954114,0.0725298067,0.0725298067,GGA+U,P-1,A4BC_aP12_2_4i_i_i:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:F-Fe-Li, expected LiFeF7 to be LiFeF4" +mp-777477,LiFeF4,-5.7799063692,-2.7757630447,0.0554621733,0.0554621733,GGA+U,Pc,A4BC_mP24_7_8a_2a_2a:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_7_14a_2a_2a:F-Fe-Li, expected LiFeF7 to be LiFeF4" +mp-777472,LiFeF4,-5.7386859496,-2.7345426251,0.0966825929,0.0966825929,GGA+U,C2/m,A4BC_mC48_12_2i3j_gi_hi:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mC48_12_4i5j_g2i_h2i:F-Fe-Li, expected Li3Fe3F14 to be LiFeF4" +mp-777595,LiFeF4,-5.7710072392,-2.7668639147,0.0643613033,0.0643613033,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Fe-Li, expected LiFeF7 to be LiFeF4" +mp-777674,LiFeF4,-5.7830241042,-2.7788807797,0.0523444383,0.0523444383,GGA+U,C2/m,A4BC_mC48_12_2i3j_gi_hi:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mC48_12_4i5j_g2i_h2i:F-Fe-Li, expected Li3Fe3F14 to be LiFeF4" +mp-777677,LiFeF4,-5.7848789779,-2.7807356535,0.0504895646,0.0504895646,GGA+U,C2/m,A4BC_mC48_12_ac7i_2i_2i:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mC48_12_ac13i_3i_3i:F-Fe-Li, expected Li3Fe3F14 to be LiFeF4" +mp-1176693,LiFeF4,-5.8152932125,-2.8111498881,0.02007533,0.02007533,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Fe-Li, expected LiFeF7 to be LiFeF4" +mp-1176695,LiFeF4,-5.7606082717,-2.7564649472,0.0747602708,0.0747602708,GGA+U,C2/m,A4BC_mC12_12_2i_a_d:F-Fe-Li,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_c:F-Fe-Li, expected LiFeF8 to be LiFeF4" +mp-776339,LiFeF4,-5.7538091858,-2.7496658614,0.0815593567,0.0815593567,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mP12_13_7g_e_f:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-755554,LiFeF4,-5.8267049925,-2.8225616681,0.00866355,0.00866355,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mP12_13_3g_e_f:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-2411702,LiFeF4,-5.8193947575,-2.8152514331000003,0.015973785,0.015973785,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mP12_13_7g_e_f:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-778513,LiFeF4,-5.7696894621,-2.7655461376,0.0656790804,0.0656790804,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-776164,LiFeF4,-5.8261177192,-2.8219743947,0.0092508233,0.0092508233,GGA+U,P2_1/c,A4BC_mP12_14_2e_a_d:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mP12_14_3e_a_b:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-755632,LiFeF4,-5.8287061996,-2.8245628751,0.0066623429,0.0066623429,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_7e_e_e:F-Fe-Li, expected LiFeF7 to be LiFeF4" +mp-777525,LiFeF4,-5.7769303567,-2.7727870322,0.0584381858,0.0584381858,GGA+U,P2_1/c,A4BC_mP24_14_4e_ad_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_15e_2ad_e:F-Fe-Li, expected Li2Fe3F30 to be LiFeF4" +mp-777678,LiFeF4,-5.7288514988,-2.7247081743,0.1065170437,0.1065170437,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-777679,LiFeF4,-5.7671779038,-2.7630345793,0.0681906387,0.0681906387,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:F-Fe-Li, expected LiFeF11 to be LiFeF4" +mp-777898,LiFeF4,-5.7357451585,-2.7316018341,0.099623384,0.099623384,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_mP48_14_19e_7e_3e:F-Fe-Li, expected Li3Fe7F19 to be LiFeF4" +mp-849228,LiFeF4,-5.7623588517,-2.7582155272,0.0730096908,0.0730096908,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-849226,LiFeF4,-5.8258397433,-2.8216964189,0.0095287992,0.0095287992,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:F-Fe-Li, expected LiFeF11 to be LiFeF4" +mp-776264,LiFeF4,-5.8307307575,-2.8265874331000003,0.004637785,0.004637785,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_15_3f_a_e:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-756100,LiFeF4,-5.7506230783,-2.7464797539,0.0847454642,0.0847454642,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_a:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-777801,LiFeF4,-5.7795827425,-2.7754394181,0.0557857999999999,0.0557857999999999,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_a:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-1176702,LiFeF4,-5.8257025958,-2.8215592714,0.0096659467,0.0096659467,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_a_e:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-777252,LiFeF4,-5.7640801017,-2.7599367772,0.0712884408,0.0712884408,GGA+U,P2_12_12_1,A4BC_oP24_19_4a_a_a:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_19_13a_a_a:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-777891,LiFeF4,-5.7592770646,-2.7551337401,0.0760914779,0.0760914779,GGA+U,Pmn2_1,A4BC_oP48_31_4a6b_2b_4a:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_oP48_31_8a22b_5b_7a:F-Fe-Li, expected Li7Fe10F52 to be LiFeF4" +mp-778347,LiFeF4,-5.4153823283,-2.4112390039,0.4199862142,0.4199862142,GGA+U,Pbcn,A4BC_oP24_60_2d_a_c:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_a_c:F-Fe-Li, expected LiFeF10 to be LiFeF4" +mp-778510,LiFeF4,-5.8206055525,-2.8164622281,0.01476299,0.01476299,GGA+U,Pbcn,A4BC_oP24_60_2d_c_a:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_a:F-Fe-Li, expected LiFeF10 to be LiFeF4" +mp-777550,LiFeF4,-5.8023417054,-2.798198381,0.0330268371,0.0330268371,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Fe-Li, expected LiFeF10 to be LiFeF4" +mp-777875,LiFeF4,-5.8221771496,-2.8180338251,0.0131913929,0.0131913929,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Fe-Li, expected LiFeF10 to be LiFeF4" +mp-777567,LiFeF4,-5.7319803475,-2.7278370231,0.103388195,0.103388195,GGA+U,Pbca,A4BC_oP48_61_4c_c_c:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_oP48_61_13c_c_c:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-778352,LiFeF4,-5.7597684983,-2.7556251739,0.0756000442,0.0756000442,GGA+U,Pnma,A4BC_oP48_62_2c3d_d_2c:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_oP48_62_8c9d_d_5c:F-Fe-Li, expected Li5Fe2F26 to be LiFeF4" +mp-778512,LiFeF4,-5.7323361973,-2.7281928728,0.1030323452,0.1030323452,GGA+U,Pnma,A4BC_oP48_62_2c3d_2c_d:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_oP48_62_8c9d_5c_d:F-Fe-Li, expected Li2Fe5F26 to be LiFeF4" +mp-777474,LiFeF4,-5.7882978650000005,-2.7841545406,0.0470706775,0.0470706775,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_62_7c2d_c_c:F-Fe-Li, expected LiFeF11 to be LiFeF4" +mp-777559,LiFeF4,-5.8050172883,-2.8008739639,0.0303512542,0.0303512542,GGA+U,Pnma,A4BC_oP24_62_4c_c_c:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_oP24_62_13c_c_c:F-Fe-Li, expected LiFeF13 to be LiFeF4" +mp-777804,LiFeF4,-5.7507098744,-2.7465665499,0.0846586681,0.0846586681,GGA+U,Pnma,A4BC_oP48_62_2c3d_2c_d:F-Fe-Li,48.0,"Invalid WP multiplicities - A4BC_oP48_62_8c9d_5c_d:F-Fe-Li, expected Li2Fe5F26 to be LiFeF4" +mp-756535,LiFeF4,-5.7293243408,-2.7251810164,0.1060442017,0.1060442017,GGA+U,Cmcm,A4BC_oC24_63_fg_c_a:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_a:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-755299,LiFeF4,-5.771048685,-2.7669053606,0.0643198575,0.0643198575,GGA+U,Cmcm,A4BC_oC24_63_fg_a_c:F-Fe-Li,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_a_c:F-Fe-Li, expected LiFeF6 to be LiFeF4" +mp-756849,LiFeF4,-5.81996531,-2.8158219856,0.0154032325,0.0154032325,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:F-Fe-Li,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2g2j_a_c:F-Fe-Li, expected LiFeF8 to be LiFeF4" +mp-754662,LiFeF4,-5.7471223908,-2.7429790664,0.0882461517,0.0882461517,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:F-Fe-Li,12.0,A4BC_tI24_88_f_a_b:F-Fe-Li +mp-777785,LiFeF4,-5.76664851,-2.7625051856,0.0687200325,0.0687200325,GGA+U,I-42d,A4BC_tI48_122_2e_d_d:F-Fe-Li,24.0,"Invalid WP multiplicities - A4BC_tI48_122_7e_d_d:F-Fe-Li, expected LiFeF14 to be LiFeF4" +mp-755146,LiFeF4,-5.7356805325,-2.7315372081,0.09968801,0.09968801,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:F-Fe-Li,12.0,A4BC_tI24_141_h_a_b:F-Fe-Li +mp-777553,LiFeF4,-5.7516565069,-2.7475131825,0.0837120356,0.0837120356,GGA+U,P3_1,A4BC_hP36_144_8a_2a_2a:F-Fe-Li,36.0,"Invalid WP multiplicities - A4BC_hP36_144_22a_2a_5a:F-Fe-Li, expected Li5Fe2F22 to be LiFeF4" +mp-776191,LiFeF4,-5.7353907661,-2.7312474417,0.0999777764,0.0999777764,GGA+U,P3_121,A4BC_hP18_152_2c_a_b:F-Fe-Li,18.0,"Invalid WP multiplicities - A4BC_hP18_152_8c_a_b:F-Fe-Li, expected LiFeF16 to be LiFeF4" +mp-755693,LiFeF4,-5.7628791028,-2.7587357783,0.0724894397,0.0724894397,GGA+U,R3m,A4BC_hR54_160_2bc_b_b:F-Fe-Li,18.0,"Invalid WP multiplicities - A4BC_hR54_160_5b2c_b_b:F-Fe-Li, expected LiFeF9 to be LiFeF4" +mp-776933,LiFe2F5,-6.21656841,-2.6657733945,0.0698304675,0.0698304675,GGA+U,P1,A5B2C_aP32_1_20a_8a_4a:F-Fe-Li,32.0,A5B2C_aP32_1_20a_8a_4a:F-Fe-Li +mp-776764,LiFe2F5,-6.2455984756,-2.6948034601,0.0408004019,0.0408004019,GGA+U,P1,A5B2C_aP16_1_10a_4a_2a:F-Fe-Li,16.0,A5B2C_aP16_1_10a_4a_2a:F-Fe-Li +mp-1391065,LiFe2F5,-4.028533215,-0.4777381995,2.2578656625,2.2578656625,GGA+U,P1,A5B2C_aP16_1_10a_4a_2a:F-Fe-Li,16.0,A5B2C_aP16_1_10a_4a_2a:F-Fe-Li +mp-807001,LiFe2F5,-5.7292969497,-2.1785019342,0.5571019278,0.5571019278,GGA+U,P-1,A5B2C_aP32_2_10i_4i_2i:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_aP32_2_18i_7i_3i:F-Fe-Li, expected Li3Fe7F18 to be LiFe2F5" +mp-775766,LiFe2F5,-6.2391952838,-2.6884002682,0.0472035937,0.0472035937,GGA+U,P-1,A5B2C_aP32_2_10i_4i_2i:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_aP32_2_18i_7i_3i:F-Fe-Li, expected Li3Fe7F18 to be LiFe2F5" +mp-1176739,LiFe2F5,-6.2207365722,-2.6699415567,0.0656623053,0.0656623053,GGA+U,P-1,A5B2C_aP32_2_10i_bcef2i_2i:F-Fe-Li,32.0,A5B2C_aP32_1_20a_8a_4a:F-Fe-Li +mp-777684,LiFe2F5,-6.2084186428,-2.6576236273,0.0779802347,0.0779802347,GGA+U,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_17e_3e_e:F-Fe-Li, expected LiFe3F17 to be LiFe2F5" +mp-754221,LiFe2F5,-6.232456085,-2.6816610695,0.0539427925,0.0539427925,GGA+U,Cmcm,A5B2C_oC32_63_c2f_f_c:F-Fe-Li,16.0,"Invalid WP multiplicities - A5B2C_oC32_63_c6f_f_c:F-Fe-Li, expected LiFe2F13 to be LiFe2F5" +mp-778405,LiFe2F5,-6.2150994803,-2.6643044648,0.0712993972,0.0712993972,GGA+U,C2/c,A5B2C_mC64_15_5f_2f_f:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_mC64_15_15f_5f_f:F-Fe-Li, expected LiFe5F15 to be LiFe2F5" +mp-755188,LiFe2F5,-6.2075861281,-2.6567911126,0.0788127494,0.0788127494,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_c:F-Fe-Li,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_e3f_f_a:F-Fe-Li, expected LiFe2F7 to be LiFe2F5" +mp-1176731,LiFe2F5,-5.78928805,-2.2384930345,0.4971108275,0.4971108275,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_a:F-Fe-Li,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_2e7f_f_c:F-Fe-Li, expected LiFe2F16 to be LiFe2F5" +mp-776122,LiFe2F5,-6.1868161584,-2.6360211429,0.0995827191,0.0995827191,GGA+U,Pnnm,A5B2C_oP32_58_3gh_eg_g:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_oP32_58_11g2h_2e2g_g:F-Fe-Li, expected LiFe4F15 to be LiFe2F5" +mp-776078,LiFe2F5,-6.2096401594,-2.6588451439,0.0767587181,0.0767587181,GGA+U,Pnma,A5B2C_oP32_62_3cd_ac_c:F-Fe-Li,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_9c4d_2a2c_c:F-Fe-Li, expected LiFe4F17 to be LiFe2F5" +mp-849302,Li3Fe4F19,-5.2379763325,-2.3177858009,0.086597236,0.086597236,GGA+U,P-1,A19B4C3_aP52_2_19i_4i_3i:F-Fe-Li,52.0,"Invalid WP multiplicities - A19B4C3_aP52_2_37i_7i_5i:F-Fe-Li, expected Li5Fe7F37 to be Li3Fe4F19" +mp-1222351,LiFeF6,-4.9150515437,-2.1840743085,0.0,-0.0030394719,GGA+U,P4_2nm,A6BC_tP16_102_3c_a_a:F-Fe-Li,16.0,A6BC_tP16_102_3c_a_a:F-Fe-Li +mp-777488,Li3FeF6,-5.5235096045,-2.956943243,0.0283438843,0.010476547,GGA+U,P2_1/c,A6BC3_mP20_14_3e_a_de:F-Fe-Li,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_9e_a_2b2e:F-Fe-Li, expected Li6FeF18 to be Li3FeF6" +mp-778250,Li3FeF6,-5.5093717587,-2.9428053972,0.0424817301,0.0246143927,GGA+U,C2/c,A6BC3_mC80_15_6f_ce_3f:F-Fe-Li,40.0,"Invalid WP multiplicities - A6BC3_mC80_15_17f_ae_9f:F-Fe-Li, expected Li9FeF17 to be Li3FeF6" +mp-776627,Li3FeF6,-5.5518534888,-2.9852871273,0.0,-0.0178673373,GGA+U,C2/c,A6BC3_mC120_15_9f_af_e4f:F-Fe-Li,60.0,"Invalid WP multiplicities - A6BC3_mC120_15_33f_c2f_e8f:F-Fe-Li, expected Li17Fe5F66 to be Li3FeF6" +mp-776684,Li3FeF6,-5.5461154557,-2.9795490943000003,0.0057380331,-0.0121293043,GGA+U,Pna2_1,A6BC3_oP40_33_6a_a_3a:F-Fe-Li,40.0,"Invalid WP multiplicities - A6BC3_oP40_33_21a_a_9a:F-Fe-Li, expected Li9FeF21 to be Li3FeF6" +mp-777459,Li3FeF6,-5.5368831245,-2.970316763,0.0149703643,-0.002896973,GGA+U,R-3,A6BC3_hR60_148_2f_ab_f:F-Fe-Li,20.0,"Invalid WP multiplicities - A6BC3_hR60_148_7f_ab_f:F-Fe-Li, expected Li3FeF21 to be Li3FeF6" +mp-755087,Li3FeF6,-5.463437,-2.8968706385000003,0.0884164888,0.0705491515,GGA+U,P-31m,A6BC3_hP10_162_k_b_ac:F-Fe-Li,10.0,"Invalid WP multiplicities - A6BC3_hP10_162_k_b_a2c:F-Fe-Li, expected Li5FeF6 to be Li3FeF6" +mp-777475,Li3FeF6,-5.5264604855,-2.959894124,0.0253930033,0.007525666,GGA+U,P-31c,A6BC3_hP20_163_i_b_cf:F-Fe-Li,20.0,"Invalid WP multiplicities - A6BC3_hP20_163_i_b_c2f:F-Fe-Li, expected Li5FeF6 to be Li3FeF6" +mp-777900,Li3FeF6,-5.523523987,-2.9569576255000003,0.0283295018,0.0104621645,GGA+U,P-31c,A6BC3_hP20_163_i_c_af:F-Fe-Li,20.0,"Invalid WP multiplicities - A6BC3_hP20_163_i_c_a2f:F-Fe-Li, expected Li5FeF6 to be Li3FeF6" +mp-777860,Li2FeF6,-5.2675452663,-2.6279074054,0.005756367,0.0012851358,GGA+U,C2,A6BC2_mC54_5_9c_ac_ab2c:F-Fe-Li,27.0,"Invalid WP multiplicities - A6BC2_mC54_5_18c_a2c_ab4c:F-Fe-Li, expected Li10Fe5F36 to be Li2FeF6" +mp-777443,Li2FeF6,-5.2357981822,-2.5961603213,0.0375034511,0.0330322199,GGA+U,C2/m,A6BC2_mC54_12_3i3j_ai_gj:F-Fe-Li,27.0,"Invalid WP multiplicities - A6BC2_mC54_12_6i11j_a2i_2g2j:F-Fe-Li, expected Li12Fe5F56 to be Li2FeF6" +mp-777463,Li2FeF6,-5.2499589,-2.6103210391,0.0233427333,0.0188715021,GGA+U,C2/m,A6BC2_mC18_12_ij_a_h:F-Fe-Li,9.0,"Invalid WP multiplicities - A6BC2_mC18_12_2i2j_a_h:F-Fe-Li, expected Li2FeF12 to be Li2FeF6" +mp-755193,Li2FeF6,-5.2733016333,-2.6336637724000003,0.0,-0.0044712312,GGA+U,P4_2/mnm,A6BC2_tP18_136_fj_a_e:F-Fe-Li,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_2f3j_a_e:F-Fe-Li, expected Li2FeF16 to be Li2FeF6" +mp-849403,Li2Fe5F17,-5.9363678711,-2.6587389449,0.0761975799,0.0761975799,GGA+U,Cmcm,A17B5C2_oC192_63_2c4f2g5h_g2h_acf:F-Fe-Li,96.0,"Invalid WP multiplicities - A17B5C2_oC192_63_4c13f8g19h_3g6h_a2c2f:F-Fe-Li, expected Li7Fe30F122 to be Li2Fe5F17" +mp-777447,LiFe2F7,-5.8743103075,-2.6513785016,0.1028157618,0.1028157618,GGA+U,P2_1/m,A7B2C_mP20_11_3e2f_f_e:F-Fe-Li,20.0,"Invalid WP multiplicities - A7B2C_mP20_11_5e4f_f_e:F-Fe-Li, expected LiFe2F13 to be LiFe2F7" +mp-777151,LiFe2F7,-5.9055934845,-2.6826616786,0.0715325848,0.0715325848,GGA+U,P2/c,A7B2C_mP20_13_e3g_g_f:F-Fe-Li,20.0,"Invalid WP multiplicities - A7B2C_mP20_13_e5g_g_f:F-Fe-Li, expected LiFe2F11 to be LiFe2F7" +mp-776692,LiFe2F7,-5.9638033345,-2.7408715286,0.0133227348,0.0133227348,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:F-Fe-Li,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_23e_3e_e:F-Fe-Li, expected LiFe3F23 to be LiFe2F7" +mp-787625,LiFe2F7,-5.8869266598,-2.6639948538,0.0901994096,0.0901994096,GGA+U,Pna2_1,A7B2C_oP40_33_7a_2a_a:F-Fe-Li,40.0,"Invalid WP multiplicities - A7B2C_oP40_33_25a_5a_a:F-Fe-Li, expected LiFe5F25 to be LiFe2F7" +mp-1023481,Mg6MnAl,-2.7209994494,0.0926594784,0.1785527527,0.1785527527,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Mn, expected Mg12MnAl to be Mg6MnAl" +mp-1023486,Mg6MnAl,-2.7245800406000003,0.0890788871,0.1749721614,0.1749721614,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Mn, expected Mg12MnAl to be Mg6MnAl" +mp-684027,Mg3(MnAl9)2,-4.0406212741,-0.103871897,0.0104484239,0.0104484239,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Mn,46.0,"Invalid WP multiplicities - A18B3C2_cF184_227_7f8g_2a2c_d:Al-Mg-Mn, expected Mg3MnAl69 to be Mg3(MnAl9)2" +mp-1028205,Mg14MnAl,-2.1581733,0.0487961889,0.1036240516,0.1036240516,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Mn, expected Mg18MnAl to be Mg14MnAl" +mp-1028192,Mg14MnAl,-2.1539038806,0.0530656083,0.107893471,0.107893471,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Mn, expected Mg26MnAl to be Mg14MnAl" +mp-1185724,Mg16MnAl12,-2.750612429,-0.0018742892,0.0606116439,0.0606116439,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Mn,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b6c_a:Al-Mg-Mn, expected Mg61MnAl39 to be Mg16MnAl12" +mp-1185729,Mg16MnAl12,-2.7428047703,0.0059333694,0.0684193026,0.0684193026,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Mn,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c5g_a:Al-Mg-Mn, expected Mg76MnAl12 to be Mg16MnAl12" +mp-1247173,Mg2Mn3AlS8,-5.963088935,-1.1399617392,0.0489314404,0.0489314404,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Al-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Al-Mg-Mn-S, expected Mg2Mn3AlS16 to be Mg2Mn3AlS8" +mp-1185704,Mg16Al12S,-2.6201775597,-0.0447347794,0.0955511714,0.0955511714,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-S,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-S, expected Mg58Al39S to be Mg16Al12S" +mp-1246745,Mg2MnAl3S8,-5.4045024786,-1.3551523488,0.0279076493,0.0279076493,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Al-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Al-Mg-Mn-S, expected Mg2MnAl3S22 to be Mg2MnAl3S8" +mp-1246445,MgMnAlS4,-5.6849313221,-1.2486926593,0.0393407993,0.0393407993,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Al-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Al-Mg-Mn-S, expected MgMnAlS12 to be MgMnAlS4" +mp-3872,Mg(AlS2)2,-5.1405481343,-1.4780865375,0.0,-0.028539739,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Al-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Al-Mg-S +mp-16755,Mg(AlS2)2,-5.11258946,-1.4501278632,0.0279586743,-0.0005810648,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Al-Mg-S,7.0,A2BC4_hR21_166_c_a_2c:Al-Mg-S +mp-1247043,Mg(AlS2)2,-5.1254948829,-1.4630332861,0.0150532514,-0.0134864876,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Al-Mg-S +mp-1194557,BaLu2Si3O10,-8.4275587141,-3.6335763902,0.0,-0.00856269,GGA,P2_1/m,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Lu-O-Si,32.0,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Lu-O-Si +mp-1217175,Ti5(CuS5)2,-6.6750561788,-1.4373872322,0.0309147253,0.0309147253,GGA,P-1,A2B10C5_aP17_2_i_5i_a2i:Cu-S-Ti,17.0,"Invalid WP multiplicities - A2B10C5_aP17_2_i_9i_a4i:Cu-S-Ti, expected Ti9(CuS9)2 to be Ti5(CuS5)2" +mp-676402,Ti8Cu3S16,-6.6949127526000005,-1.4488107521,0.0272603083,0.0272603083,GGA,C2/m,A3B16C8_mC54_12_ah_2i3j_eij:Cu-S-Ti,27.0,"Invalid WP multiplicities - A3B16C8_mC54_12_ah_2i9j_2f2i4j:Cu-S-Ti, expected Ti24Cu3S40 to be Ti8Cu3S16" +mp-767157,Ti16CuS32,-6.9171725214,-1.5540403852,0.0298467972,0.0298467972,GGA,R3m,AB32C16_hR147_160_a_8a8b_4a4b:Cu-S-Ti,49.0,"Invalid WP multiplicities - AB32C16_hR147_160_a_8a15b_4a10b:Cu-S-Ti, expected Ti34CuS53 to be Ti16CuS32" +mp-676377,Ti2CuS4,-6.5076042136,-1.3024627606,0.1358726571,0.1138158837,GGA,Cc,AB4C2_mC28_9_a_4a_2a:Cu-S-Ti,14.0,"Invalid WP multiplicities - AB4C2_mC28_9_a_5a_3a:Cu-S-Ti, expected Ti3CuS5 to be Ti2CuS4" +mp-1217204,Ti2CuS4,-6.4989039871,-1.2937625342,0.1445728836,0.1225161101,GGA,P2/m,AB4C2_mP7_10_b_mn_ce:Cu-S-Ti,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_c_m2n_bd:Cu-S-Ti, expected Ti2CuS6 to be Ti2CuS4" +mp-1101637,Ti2CuS4,-6.5019571357,-1.2968156827,0.141519735,0.1194629615,GGA,Fdd2,AB4C2_oF56_43_a_2b_b:Cu-S-Ti,14.0,"Invalid WP multiplicities - AB4C2_oF56_43_a_4b_b:Cu-S-Ti, expected Ti2CuS8 to be Ti2CuS4" +mp-559918,Ti2CuS4,-6.6216104511000005,-1.4164689981,0.0218664196,-0.0001903538,GGA,R-3m,AB4C2_hR84_166_2c_2c2h_abh:Cu-S-Ti,28.0,"Invalid WP multiplicities - AB4C2_hR84_166_3c_3c8h_ab2h:Cu-S-Ti, expected Ti7(CuS9)3 to be Ti2CuS4" +mp-3951,Ti2CuS4,-6.6434768707,-1.4383354177,0.0,-0.0220567735,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cu-S-Ti,14.0,AB4C2_cF56_227_a_e_d:Cu-S-Ti +mp-29091,Ti(CuS)4,-5.3679156589,-0.830346974,0.0,-0.0675244301,GGA,I-42m,A4B4C_tI18_121_ce_i_a:Cu-S-Ti,9.0,A4B4C_tI18_121_ce_i_a:Cu-S-Ti +mp-674343,Ti10Cu7S20,-6.4719147254,-1.326553531,0.0340340264,0.0340340264,GGA,Cm,A7B20C10_mC74_8_7a_20a_10a:Cu-S-Ti,37.0,A7B20C10_mC74_8_7a_20a_10a:Cu-S-Ti +mp-1216896,TiCuS4,-5.4324117225,-0.6756620301,0.3677190922,0.3677190922,GGA,Imma,AB4C_oI24_74_e_hi_a:Cu-S-Ti,12.0,"Invalid WP multiplicities - AB4C_oI24_74_e_2h2i_a:Cu-S-Ti, expected TiCuS8 to be TiCuS4" +mp-675056,Na3(TiS2)10,-6.6591357203,-1.6393934965,0.0,-0.0353487833,GGA,Cm,A3B20C10_mC66_8_ab_4a8b_2a4b:Na-S-Ti,33.0,"Invalid WP multiplicities - A3B20C10_mC66_8_ab_4a16b_2a8b:Na-S-Ti, expected Na(TiS2)6 to be Na3(TiS2)10" +mp-1217205,Ti5CuS10,-6.8332060844,-1.5243832455000002,0.0094705178,0.0094705178,GGA,P-1,AB10C5_aP16_2_a_5i_e2i:Cu-S-Ti,16.0,"Invalid WP multiplicities - AB10C5_aP16_2_a_10i_e2i:Cu-S-Ti, expected Ti5CuS20 to be Ti5CuS10" +mp-505171,NaTiCuS3,-5.5892874417,-1.3015251782,0.0,-0.0481608149,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Na-S-Ti,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Na-S-Ti +mp-754850,NaTiS2,-5.9532470025,-1.5805177415,0.0163500525,-0.0505601604,GGA,R3m,AB2C_hR12_160_a_2a_a:Na-S-Ti,4.0,AB2C_hR12_160_a_2a_a:Na-S-Ti +mp-752947,NaTiS2,-5.96320771,-1.590478449,0.006389345,-0.0605208679,GGA,P-3m1,AB2C_hP4_164_a_d_b:Na-S-Ti,4.0,AB2C_hP4_164_a_d_b:Na-S-Ti +mp-7942,NaTiS2,-5.969597055,-1.596867794,0.0,-0.0669102129,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Ti,4.0,AB2C_hR12_166_a_c_b:Na-S-Ti +mp-1220878,NaTiS2,-5.7414465925,-1.3687173315,0.2281504625,0.1612402496,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Na-S-Ti,8.0,AB2C_hP8_194_c_f_a:Na-S-Ti +mp-686094,Ti3CuS6,-6.7475307686,-1.4870925765,0.0021859589,0.0021859589,GGA,P3m1,AB6C3_hP120_156_3a4b5c_6a6b6c18d_3a3b3c9d:Cu-S-Ti,120.0,"Invalid WP multiplicities - AB6C3_hP120_156_3a4b5c_6a6b6c52d_3a3b3c26d:Cu-S-Ti, expected Ti29(Cu2S29)2 to be Ti3CuS6" +mp-15066,LiTmSiO4,-7.9558274411,-3.4419944175,0.0,-0.0156298621,GGA,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-Si-Tm,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_5c3d_c_c:Li-O-Si-Tm, expected LiTmSiO11 to be LiTmSiO4" +mp-17704,Tm2SiO5,-8.7187341722,-3.8299301181,0.0035595542,0.0035595542,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Si-Tm,32.0,A5BC2_mP32_14_5e_e_2e:O-Si-Tm +mp-1095467,Tm2Si2O7,-8.6634044664,-3.7153019313,0.0,-0.0386167302,GGA,C2/m,A7B2C2_mC22_12_aij_i_h:O-Si-Tm,11.0,A7B2C2_mC22_12_aij_i_h:O-Si-Tm +mp-16454,BaPr2ZnS5,-5.77698034,-2.0633381851,0.0010907688,0.0010907688,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-Pr-S-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-Pr-S-Zn +mp-36223,Ba(PrS2)2,-6.3318225929,-2.3280246046,0.0203559436,0.0203559436,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Ba-Pr-S +mp-13947,Rb2HfF6,-6.3527395822,-3.7541694733,0.0,-0.0850948783,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Hf-Rb,9.0,A6BC2_hP9_164_i_a_d:F-Hf-Rb +mp-3654,RbCaF3,-5.46258844,-3.718474269,0.0,-0.034090222,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-F-Rb,5.0,AB3C_cP5_221_b_c_a:Ca-F-Rb +mp-30320,RbHfF5,-6.8239589064,-3.896084915,0.0,-0.0087079648,GGA,Cmce,A5BC_oC56_64_d2fg_f_d:F-Hf-Rb,28.0,A5BC_oC56_64_d2fg_f_d:F-Hf-Rb +mp-1209253,RbCaHfF7,-6.663600967,-4.0312333915,0.0,-0.0366896225,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_c_a:Ca-F-Hf-Rb,20.0,AB7CD_oC40_63_c_cf2g_c_a:Ca-F-Hf-Rb +mp-559584,LiCaNiF6,-5.3372187617,-2.9857150693000003,0.0,-0.021280387,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Ca-F-Li-Ni,18.0,AB6CD_hP18_163_b_i_c_d:Ca-F-Li-Ni +mp-1202310,HfHg4(PCl3)2,-3.7541563788,-1.2087921124,0.0,-0.0532763851,GGA,Pbca,A6BC4D2_oP104_61_6c_c_4c_2c:Cl-Hf-Hg-P,104.0,A6BC4D2_oP104_61_6c_c_4c_2c:Cl-Hf-Hg-P +mp-1111301,Na2PdAuF6,-4.101273421,-1.8445046008,0.2576537047,0.2576537047,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Pd,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Pd +mp-8585,Pd(AuF4)2,-3.8419852241,-1.3856690832,0.0,-0.0077459065,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Au-F-Pd,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Au-F-Pd, expected Pd(AuF5)2 to be Pd(AuF4)2" +mp-1111159,K3TaBr6,-4.063565598,-1.6128511529,0.1823783276,0.1823783276,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Ta,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Ta +mp-1112695,Cs2KTaBr6,-4.110279068,-1.7025639379,0.1023501696,0.1023501696,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Ta +mp-1113779,Rb2GaHgF6,-4.301836602,-2.6256647683,0.0736032912,0.0736032912,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-Rb +mp-1113627,Rb3GaF6,-4.780988453,-3.0371312485,0.0,-0.140630332,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-Rb,10.0,A6BC3_cF40_225_e_a_bc:F-Ga-Rb +mp-30137,Gd3ReO8,-11.124586856,-3.2707198898,0.0,-0.0752397687,GGA,P2_1/c,A3B8C_mP48_14_3e_8e_e:Gd-O-Re,48.0,A3B8C_mP48_14_3e_8e_e:Gd-O-Re +mp-1199105,Gd(ReO5)3,-8.3683274191,-1.7572729736,0.2119238721,0.2119238721,GGA,Pna2_1,AB15C3_oP76_33_a_15a_3a:Gd-O-Re,76.0,AB15C3_oP76_33_a_15a_3a:Gd-O-Re +mp-13936,Sr2GdReO6,-8.921144058,-2.9631671981,0.0969007786,0.0969007786,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Gd-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Gd-O-Re-Sr +mp-15922,Gd2ReO5,-11.3638688256,-3.197591923,0.0,-0.0462449488,GGA,P4/n,A2B5C_tP32_85_g_ab2g_2c:Gd-O-Re,32.0,A2B5C_tP32_85_g_ab2g_2c:Gd-O-Re +mp-31101,Gd3ReO7,-11.4184251673,-3.3002692688,0.0297605884,0.0297605884,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Gd-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_ag_cg2h_b:Gd-O-Re, expected Gd3ReO11 to be Gd3ReO7" +mp-27703,InBrO,-4.7795633033,-1.6957630462000002,0.0,-0.0063750706,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-In-O,6.0,ABC_oP6_59_a_b_a:Br-In-O +mp-1200791,In4As5(BrO4)3,-5.8129247931,-1.7161882735,0.0,-0.0232910476,GGA,P-1,A5B3C4D12_aP48_2_5i_3i_ac3i_12i:As-Br-In-O,48.0,A5B3C4D12_aP48_2_5i_3i_ac3i_12i:As-Br-In-O +mp-1178346,EuTmO3,-9.45700875,-3.5424280786,0.0969085091,0.0969085091,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Eu-O-Tm, expected EuTmO7 to be EuTmO3" +mp-1184353,EuTmO3,-9.106493704,-3.1919130326,0.4474235551,0.4474235551,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Tm,5.0,AB3C_cP5_221_a_c_b:Eu-O-Tm +mp-1212784,EuTm2O4,-9.3705680907,-3.7997927348,0.0211702668,0.0211702668,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-O-Tm,28.0,AB4C2_oP28_62_c_4c_2c:Eu-O-Tm +mp-1205480,Eu2TmTaO6,-10.181886947,-3.5291120549,0.0356249656,0.0356249656,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Tm,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Tm +mp-1079691,CeAlH2Ir,-5.708420784,-0.647910533,0.1245881089,0.1245881089,GGA,P6_3/mmc,ABC2D_hP10_194_c_a_f_d:Al-Ce-H-Ir,10.0,ABC2D_hP10_194_c_a_f_d:Al-Ce-H-Ir +mp-1112588,Cs2MnHgF6,-4.891631334,-2.6190939134,0.0497754205,0.0497754205,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Mn,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Mn +mp-1207326,MnHg3F6,-4.01806433,-1.8638713108,0.106528685,0.106528685,GGA+U,P-1,A6B3C_aP10_2_3i_bef_a:F-Hg-Mn,10.0,A6B3C_aP10_2_3i_bef_a:F-Hg-Mn +mp-1214710,BaAs2F12,-5.0713651215,-2.7930344975,0.0,-0.0474162995,GGA,Pm-3m,A2BC12_cP60_221_g_ad_2m:As-Ba-F,60.0,"Invalid WP multiplicities - A2BC12_cP60_221_g_ad_4m:As-Ba-F, expected BaAs2F24 to be BaAs2F12" +mp-31026,Ba6Zn7F26,-5.1253616115,-3.3297075586,0.0042175756,0.0042175756,GGA,C2/m,A6B26C7_mC78_12_3i_5i4j_ah2i:Ba-F-Zn,39.0,"Invalid WP multiplicities - A6B26C7_mC78_12_3i_5i5j_ah2i:Ba-F-Zn, expected Ba6Zn7F30 to be Ba6Zn7F26" +mp-7739,Ba2ZnF6,-5.4645423633,-3.6238126639,0.0267195261,0.0267195261,GGA,I4/mmm,A2B6C_tI18_139_e_cde_a:Ba-F-Zn,9.0,"Invalid WP multiplicities - A2B6C_tI18_139_e_2cde_a:Ba-F-Zn, expected Ba2ZnF8 to be Ba2ZnF6" +mp-1079320,BaZnAsF,-4.429661045,-1.9923320644,0.0,-0.0073289203,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ba-F-Zn,8.0,ABCD_tP8_129_c_c_a_b:As-Ba-F-Zn +mp-541827,Ba2Zn7F18,-4.7043974637,-2.9613316650000003,0.0,-0.0068618167,GGA,P-1,A2B18C7_aP27_2_i_9i_a3i:Ba-F-Zn,27.0,A2B18C7_aP27_2_i_9i_a3i:Ba-F-Zn +mp-1214592,Ba2Zn3F10,-5.0152584133,-3.2331270543,0.0049883307,0.0049883307,GGA,C2/m,A2B10C3_mC60_12_2i_eh4i2j_g2i:Ba-F-Zn,30.0,A2B10C3_mC60_12_2i_eg4i2j_h2i:Ba-F-Zn +mp-1192072,BaZnF4,-5.1767634704,-3.3726577338,0.0211484937,0.0181926634,GGA,Pmn2_1,AB4C_oP24_31_2a_8a_2a:Ba-F-Zn,24.0,AB4C_oP24_31_2a_8a_2a:Ba-F-Zn +mp-3881,BaZnF4,-5.1979119642,-3.3938062275,0.0,-0.0029558304,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-F-Zn,12.0,AB4C_oC24_36_a_4a_a:Ba-F-Zn +mp-556172,SiPb4(BrO)4,-5.4360059835,-1.8764079469,0.0,-0.0102179667,GGA,P2_1/c,A4B4C4D_mP52_14_ad3e_4e_4e_e:Br-O-Pb-Si,52.0,"Invalid WP multiplicities - A4B4C4D_mP52_14_2ad10e_13e_10e_e:Br-O-Pb-Si, expected Si2Pb20Br23O26 to be SiPb4(BrO)4" +mp-1222564,LiCoCuF6,-5.01527962,-2.2835772715,0.008713845,0.008713845,GGA+U,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Co-Cu-F-Li,18.0,"Invalid WP multiplicities - ABC6D_tP18_102_a_a_12c_a:Co-Cu-F-Li, expected LiCoCuF24 to be LiCoCuF6" +mp-1112067,K2SbAuCl6,-3.535480913,-1.4639908036,0.105042959,0.105042959,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sb +mp-863757,K2SbAu,-2.9690250538000003,-0.5631047703000001,0.0,-0.1016485325,GGA,Cmcm,AB2C_oC16_63_a_g_c:Au-K-Sb,8.0,AB2C_oC16_63_a_g_c:Au-K-Sb +mp-9273,K3Sb2Au3,-3.1429744888,-0.4666188236,0.0,-0.0240837226,GGA,R-3m,A3B3C2_hR24_166_d_ac_c:Au-K-Sb,8.0,A3B3C2_hR24_166_d_ac_c:Au-K-Sb +mp-11091,NdMgPt,-5.0417580889,-0.8952378214000001,0.0,-0.1035180473,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Nd-Pt,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:Mg-Nd-Pt, expected Nd3Mg3Pt5 to be NdMgPt" +mp-975521,NdMgO3,-7.081664142,-2.8399654187000003,0.277954373,0.277954373,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Mg-Nd-O,5.0,ABC3_cP5_221_b_a_c:Mg-Nd-O +mp-1209786,Nd2MgPtO6,-7.5517172985,-2.8629332483,0.0,-0.0143600356,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Mg-Nd-O-Pt,20.0,AB2C6D_mP20_14_a_e_3e_b:Mg-Nd-O-Pt +mp-1210009,Nd4MgPt,-4.9118707854,-0.4545369354,0.0008478984,0.0008478984,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Nd-Pt,24.0,AB4C_cF96_216_e_efg_e:Mg-Nd-Pt +mp-1200594,Nd23Mg4Pt7,-5.2070387849,-0.5433198323,0.0,-0.0053042069,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Pt,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Pt +mp-989560,Cs2TlSiH6,-3.135274372,-0.1417621529,0.0126474272,0.0126474272,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-H-Si-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-H-Si-Tl +mp-19897,Eu2TeO2,-9.442217898,-2.7320805148,0.0,-0.0870109122,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Eu-O-Te,5.0,A2B2C_tI10_139_e_d_a:Eu-O-Te +mp-31247,Eu2Te4O11,-7.1973072021,-2.0502011434,0.0,-0.0577033489,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Eu-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_e6f_2f:Eu-O-Te, expected Eu2Te4O13 to be Eu2Te4O11" +mp-1189915,EuCrTeO6,-8.183448887800001,-2.3241725066,0.0,-0.1266381203,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Eu-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Eu-O-Te +mp-1213001,EuCrTeO6,-7.8956348889,-2.0363585077,0.2878139989,0.1611758786,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Eu-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Eu-O-Te +mp-13973,Gd2SeO2,-11.744570188,-3.436263512,0.0,-0.0881111682,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Gd-O-Se,5.0,A2B2C_hP5_164_d_d_a:Gd-O-Se +mp-582378,Gd2Mo(SeO4)3,-8.2868665186,-2.2398724321,0.0,-0.0917502489,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Gd-Mo-O-Se,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_4i_i_23i_6i:Gd-Mo-O-Se, expected Gd4MoSe6O23 to be Gd2Mo(SeO4)3" +mp-669388,Gd2Se2O,-10.8182807485,-2.8001295192,0.0063057193,0.0063057193,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Gd-O-Se,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_8c:Gd-O-Se, expected Gd5Se8O to be Gd2Se2O" +mp-1021494,Cd5(S2Cl)2,-3.2636720209,-1.003915513,0.0468859636,0.0468859636,GGA,Cm,A5B2C4_mC22_8_5a_2a_4a:Cd-Cl-S,11.0,A5B2C4_mC22_8_5a_2a_4a:Cd-Cl-S +mp-1013730,Cd5(S2Cl)2,-3.2428344764,-0.9830779684,0.0677235082,0.0677235082,GGA,Ibam,A5B2C4_oI44_72_afj_j_k:Cd-Cl-S,22.0,A5B2C4_oI44_72_afj_j_k:Cd-Cl-S +mp-558849,CdBiS2Cl,-3.9364618105,-0.9594987538,0.0119795065,0.0119795065,GGA,Pnma,ABCD2_oP20_62_c_c_c_2c:Bi-Cd-Cl-S,20.0,"Invalid WP multiplicities - ABCD2_oP20_62_c_c_c_5c:Bi-Cd-Cl-S, expected CdBiS5Cl to be CdBiS2Cl" +mp-1026659,NaMg14Sb,-1.7754894731,-0.034524021,0.0902480642,0.0902480642,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Sb, expected NaMg18Sb to be NaMg14Sb" +mp-1026637,NaMg14Sb,-1.7480925606,-0.0071271085,0.1176449767,0.1176449767,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Sb, expected NaMg26Sb to be NaMg14Sb" +mp-1017245,NaMg6Sb,-1.9440368556,-0.0623860014,0.1658307846,0.1658307846,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Sb, expected NaMg12Sb to be NaMg6Sb" +mp-1017305,NaMg6Sb,-1.9446061694,-0.0629553152,0.1652614709,0.1652614709,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Sb, expected NaMg12Sb to be NaMg6Sb" +mp-557179,NaSbS2,-4.3377822225,-0.9066756557,0.0231579712,-0.046340695,GGA,C2/m,AB2C_mC16_12_i_2i_i:Na-S-Sb,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_4i_i:Na-S-Sb, expected NaSbS4 to be NaSbS2" +mp-5414,NaSbS2,-4.3609401938,-0.929833627,0.0,-0.0694986662,GGA,C2/c,AB2C_mC16_15_e_f_e:Na-S-Sb,8.0,AB2C_mC16_15_e_f_e:Na-S-Sb +mp-1220873,NaSbS2,-4.2442365225,-0.8131299557,0.1167036712,0.047205005,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Na-S-Sb,4.0,AB2C_tP4_123_a_bc_d:Na-S-Sb +mp-1173513,NaSbS2,-4.3141328675,-0.8830263007,0.0468073262,-0.02269134,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-S-Sb,8.0,AB2C_tI16_141_a_e_b:Na-S-Sb +mp-2227993,Na3MgSbS4,-3.9939353933,-1.0780846558,0.1356488064,0.1356488064,GGA,Cm,AB3C4D_mC18_8_a_ab_2ab_a:Mg-Na-S-Sb,9.0,"Invalid WP multiplicities - AB3C4D_mC18_8_a_ab_2a2b_a:Mg-Na-S-Sb, expected Na3MgSbS6 to be Na3MgSbS4" +mp-2226747,Na3MgSbS4,-3.9865469978,-1.0706962602,0.1430372019,0.1430372019,GGA,I-4,AB3C4D_tI18_82_c_af_g_b:Mg-Na-S-Sb,9.0,AB3C4D_tI18_82_c_af_g_b:Mg-Na-S-Sb +mp-1210706,Na2MgSb2,-1.7246749760000002,0.7759916474,1.2873621152,1.2873621152,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mg-Na-Sb,5.0,AB2C2_tP5_123_a_g_g:Mg-Na-Sb +mp-1193673,Na3SbS3,-4.0106316168,-1.0812135138,0.0,-0.0221368761,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Na-S-Sb,28.0,A3B3C_cP28_198_3a_b_a:Na-S-Sb +mp-7090,NaMgSb,-2.92363465,-0.5730324555,0.0,-0.1134529776,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mg-Na-Sb,6.0,ABC_tP6_129_a_c_c:Mg-Na-Sb +mp-10167,Na3SbS4,-4.08843948,-1.0081424065,0.0067054744,0.0067054744,GGA,I-43m,A3B4C_cI16_217_b_c_a:Na-S-Sb,8.0,A3B4C_cI16_217_b_c_a:Na-S-Sb +mp-23018,BiSbO4,-6.4765956083,-1.8505547392,0.0,-0.0887108894,GGA,C2/c,AB4C_mC24_15_e_2f_c:Bi-O-Sb,12.0,AB4C_mC24_15_e_2f_a:Bi-O-Sb +mp-1224786,GaSbO4,-6.5460054667000005,-2.0553634487,0.0,-0.1112877096,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Ga-O-Sb,6.0,AB4C_oC12_65_a_gj_c:Ga-O-Sb +mp-1224998,GaBi3Sb2O11,-6.4367159356,-1.8942958346,0.0,-0.0004174175,GGA,Pc,A3BC11D2_mP68_7_6a_2a_22a_4a:Bi-Ga-O-Sb,68.0,"Invalid WP multiplicities - A3BC11D2_mP68_7_10a_4a_43a_8a:Bi-Ga-O-Sb, expected Ga4Bi10Sb8O43 to be GaBi3Sb2O11" +mp-1214312,Bi12SbO20,-6.1623037091,-1.6426477992,0.0468211318,0.0468211318,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Sb,33.0,A12B20C_cI66_197_f_2cf_a:Bi-O-Sb +mp-755382,BiSbO3,-6.191114895,-1.6292035943,0.0861619617,0.0861619617,GGA,R-3,AB3C_hR30_148_c_f_c:Bi-O-Sb,10.0,AB3C_hR30_148_c_f_c:Bi-O-Sb +mp-1043651,BiSbO5,-5.9831158504,-1.3112681466,0.2749216298,0.2749216298,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-Sb,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-Sb, expected BiSbO15 to be BiSbO5" +mp-1042388,BiSbO5,-5.8519116855,-1.1800639818,0.4061257946,0.4061257946,GGA,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-Sb,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-Sb, expected BiSbO31 to be BiSbO5" +mp-30304,Bi3SbO7,-6.3645791145,-1.7939164228000002,0.0,-0.0289280818,GGA,P-1,A3B7C_aP22_2_3i_7i_ab:Bi-O-Sb,22.0,A3B7C_aP22_2_3i_7i_ab:Bi-O-Sb +mp-1228643,Ba3In2MoO9,-6.963793302,-2.5220505826,0.0,-0.0050324967,GGA+U,P-3m1,A3B2CD9_hP15_164_ad_d_b_ei:Ba-In-Mo-O,15.0,"Invalid WP multiplicities - A3B2CD9_hP15_164_ad_d_b_2e3i:Ba-In-Mo-O, expected Ba3In2MoO24 to be Ba3In2MoO9" +mp-558386,Ga2Te2MoO10,-6.717169352,-1.8734799484,0.0,-0.0026016503,GGA+U,Pnma,A2BC10D2_oP60_62_d_c_4c3d_2c:Ga-Mo-O-Te,60.0,"Invalid WP multiplicities - A2BC10D2_oP60_62_d_c_16c21d_6c:Ga-Mo-O-Te, expected Ga2Te6MoO58 to be Ga2Te2MoO10" +mp-28931,Ga2TeO6,-6.2495112878,-1.929552376,0.0,-0.0718477444,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ga-O-Te,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_f2j_a:Ga-O-Te, expected Ga2TeO10 to be Ga2TeO6" +mp-30187,Ga2Te4O11,-6.0120488559,-1.7154023005,0.0078571329,0.0078571329,GGA,P1,A2B11C4_aP17_1_2a_11a_4a:Ga-O-Te,17.0,A2B11C4_aP17_1_2a_11a_4a:Ga-O-Te +mp-1184220,GaTeO3,-5.39680263,-1.1945090201,0.6133688829,0.6133688829,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Te,5.0,AB3C_cP5_221_b_c_a:Ga-O-Te +mp-1181313,Ga2(TeO3)3,-6.0509424146,-1.7647775485,0.0072765824,0.0072765824,GGA,P6_3/m,A2B9C3_hP28_176_f_hi_h:Ga-O-Te,28.0,A2B9C3_hP28_176_f_hi_h:Ga-O-Te +mp-1190558,Mn2NiO14,-5.5579487824000005,-0.0663129458,0.7289937008,0.7289937008,GGA+U,Cm,A2BC14_mC34_8_2a_a_6a4b:Mn-Ni-O,17.0,A2BC14_mC34_8_2a_a_6a4b:Mn-Ni-O +mp-1239107,Mn2NiO14,-5.5745338218,-0.0828979852,0.7124086614,0.7124086614,GGA+U,P3m1,A2BC14_hP17_156_ab_c_ab4d:Mn-Ni-O,17.0,A2BC14_hP17_156_ab_c_ab4d:Mn-Ni-O +mp-1180705,MnNiO3,-7.32301664,-1.3665730188,0.253462698,0.2178213997,GGA+U,C2/m,ABC3_mC20_12_i_i_3i:Mn-Ni-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_6i:Mn-Ni-O, expected MnNiO6 to be MnNiO3" +mp-19331,MnNiO3,-7.576479338,-1.6200357168,0.0,-0.0356412983,GGA+U,R-3,ABC3_hR30_148_c_c_f:Mn-Ni-O,10.0,ABC3_hR30_148_c_c_f:Mn-Ni-O +mp-25285,Mn2NiO6,-7.3872890717,-1.4112557904,0.0909900976,0.0909900976,GGA+U,Cmce,A2BC6_oC36_64_d_a_fg:Mn-Ni-O,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_2f3g:Mn-Ni-O, expected Mn2NiO16 to be Mn2NiO6" +mp-752562,MnNiO2,-7.738948845,-1.5300664964,0.0726701408,0.0726701408,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Mn-Ni-O,4.0,ABC2_tP4_123_a_d_bc:Mn-Ni-O +mp-757060,Mn4NiO8,-8.0298563046,-1.7220326478,0.0928618976,0.0928618976,GGA+U,C2/m,A4BC8_mC26_12_bce_a_2ij:Mn-Ni-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_acf_b_3i2j:Mn-Ni-O, expected Mn4NiO14 to be Mn4NiO8" +mp-758680,Mn(Ni9O10)2,-6.685250914,-1.2458086125,0.0280625476,0.0280625476,GGA+U,I4/mmm,AB18C20_tI156_139_e_abc2ef2g2m_d5e2gh2m:Mn-Ni-O,78.0,"Invalid WP multiplicities - AB18C20_tI156_139_e_ab2c4ef6g4m_d10e4gh4m:Mn-Ni-O, expected Mn(NiO)37 to be Mn(Ni9O10)2" +mp-1221343,MnNi7O8,-6.8448766831,-1.2700965742,0.0446286702,0.0446286702,GGA+U,Fm-3m,AB7C8_cF64_225_a_bd_ce:Mn-Ni-O,16.0,AB7C8_cF64_225_a_bd_ce:Mn-Ni-O +mp-1221937,Mn2NiO3,-8.18034014,-1.6896345737,0.0411071269,0.0411071269,GGA+U,Immm,A2BC3_oI12_71_e_a_cf:Mn-Ni-O,6.0,A2BC3_oI12_71_e_a_cf:Mn-Ni-O +mp-1221867,Mn2NiO3,-8.1753155417,-1.6846099754,0.0461317253,0.0461317253,GGA+U,P-3m1,A2BC3_hP6_164_d_a_bd:Mn-Ni-O,6.0,A2BC3_hP6_164_d_a_bd:Mn-Ni-O +mp-776651,Mn3NiO4,-8.3843212525,-1.7527040773,0.042040155,0.042040155,GGA+U,Cmmm,A3BC4_oC16_65_af_b_gj:Mn-Ni-O,8.0,"Invalid WP multiplicities - A3BC4_oC16_65_af_b_2gj:Mn-Ni-O, expected Mn3NiO6 to be Mn3NiO4" +mp-1221811,Mn3NiO4,-8.3706777988,-1.7390606236,0.0556836088,0.0556836088,GGA+U,P4/mmm,A3BC4_tP8_123_ah_b_cdg:Mn-Ni-O,8.0,"Invalid WP multiplicities - A3BC4_tP8_123_a2h_b_cd2g:Mn-Ni-O, expected Mn5NiO6 to be Mn3NiO4" +mp-755683,Mn5NiO12,-7.762652465,-1.5987370386,0.0557249734,0.0557249734,GGA+U,C2/m,A5BC12_mC36_12_agh_d_2i2j:Mn-Ni-O,18.0,"Invalid WP multiplicities - A5BC12_mC36_12_a2g2h_c_4i4j:Mn-Ni-O, expected Mn9NiO24 to be Mn5NiO12" +mp-851082,Mn15NiO32,-7.9840675212,-1.7027257541,0.0468713353,0.0468713353,GGA+U,R-3m,A15BC32_hR144_166_dfh_b_c3hi:Mn-Ni-O,48.0,"Invalid WP multiplicities - A15BC32_hR144_166_3d4f5h_b_2c15h7i:Mn-Ni-O, expected Mn63NiO178 to be Mn15NiO32" +mp-757044,Mn3NiO8,-7.5587346658,-1.488760312,0.089593638,0.089593638,GGA+U,R-3m,A3BC8_hR36_166_d_a_ch:Mn-Ni-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_a_c2h:Mn-Ni-O, expected Mn3NiO14 to be Mn3NiO8" +mp-1176568,Mn3NiO8,-7.5678180033,-1.4978436495,0.0805103005,0.0805103005,GGA+U,R-3m,A3BC8_hR36_166_d_b_ch:Mn-Ni-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_b_2c2h:Mn-Ni-O, expected Mn3NiO16 to be Mn3NiO8" +mp-775810,Mn3NiO8,-7.5607753594,-1.4908010055,0.0875529445,0.0875529445,GGA+U,P4_332,A3BC8_cP48_212_d_a_ce:Mn-Ni-O,48.0,"Invalid WP multiplicities - A3BC8_cP48_212_d_a_8c9e:Mn-Ni-O, expected Mn3NiO70 to be Mn3NiO8" +mp-1221715,MnNi3O4,-7.1462719362,-1.3601244141,0.0506046279,0.0506046279,GGA+U,Pmmm,AB3C4_oP8_47_a_bl_cdk:Mn-Ni-O,8.0,"Invalid WP multiplicities - AB3C4_oP8_47_a_b2l_cd2k:Mn-Ni-O, expected MnNi5O6 to be MnNi3O4" +mp-759859,MnNi3O4,-7.1483557063,-1.3622081841,0.0485208579,0.0485208579,GGA+U,Cmmm,AB3C4_oC16_65_a_bf_gj:Mn-Ni-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_bf_2gj:Mn-Ni-O, expected Mn(NiO2)3 to be MnNi3O4" +mp-758834,Mn3(Ni17O20)2,-6.7544798796,-1.275541679,0.0269786827,0.0269786827,GGA+U,I4/mmm,A3B34C40_tI154_139_ae_c2ef2g2m_d5e2gh2m:Mn-Ni-O,77.0,"Invalid WP multiplicities - A3B34C40_tI154_139_a2e_c4ef6g4m_d10e4gh4m:Mn-Ni-O, expected Mn5(Ni35O37)2 to be Mn3(Ni17O20)2" +mp-690543,Mn2NiO4,-8.0171592043,-1.7470274744,0.0406696392,0.0406696392,GGA+U,Cm,A2BC4_mC56_8_4a2b_4a_8a4b:Mn-Ni-O,28.0,"Invalid WP multiplicities - A2BC4_mC56_8_4a3b_4a_8a8b:Mn-Ni-O, expected Mn5(NiO6)2 to be Mn2NiO4" +mp-2352352,Mn2NiO4,-8.0086270736,-1.7384953437,0.0492017699,0.0492017699,GGA+U,Fdd2,A2BC4_oF56_43_b_a_2b:Mn-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oF56_43_b_a_4b:Mn-Ni-O, expected Mn2NiO8 to be Mn2NiO4" +mp-36843,Mn2NiO4,-8.0453655293,-1.7752337994,0.0124633142,0.0124633142,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Mn-Ni-O,14.0,A2BC4_oI28_74_ae_c_hi:Mn-Ni-O +mp-1180531,Mn2NiO4,-7.9896542407,-1.7195225108,0.0681746028,0.0681746028,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Mn-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2ac_e_4h4i:Mn-Ni-O, expected Mn3NiO16 to be Mn2NiO4" +mp-1422345,Mn2NiO4,-6.9556240157,-0.6854922858,1.1022048278,1.1022048278,GGA+U,I4_1md,A2BC4_tI28_109_b_a_2b:Mn-Ni-O,14.0,A2BC4_tI28_141_c_b_h:Mn-Ni-O +mp-622693,Mn2NiO4,-7.9990008714,-1.7288691416000002,0.0588279721,0.0588279721,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Mn-Ni-O,14.0,A2BC4_tI28_141_c_b_h:Mn-Ni-O +mp-29399,Mn2NiO4,-7.7152930307,-1.4451613008,0.3425358128,0.3425358128,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Mn-Ni-O,14.0,A2BC4_cF56_227_c_b_e:Mn-Ni-O +mp-1192587,Mn3NiO10,-6.9240026911,-1.0144977147,0.3383770996,0.3383770996,GGA+U,R-3,A3BC10_hR84_148_f_c_c3f:Mn-Ni-O,28.0,A3BC10_hR84_148_f_c_c3f:Mn-Ni-O +mp-19442,Mn(Ni3O4)2,-6.923200372,-1.3621107012,0.0,-0.009617831,GGA+U,Fm-3m,AB6C8_cF60_225_a_d_ce:Mn-Ni-O,15.0,AB6C8_cF60_225_a_d_ce:Mn-Ni-O +mp-866621,Ca3Sn4S11,-4.8778621778,-1.1247490891,0.1504522855,0.1504522855,GGA,P1,A3B11C4_aP36_1_6a_22a_8a:Ca-S-Sn,36.0,A3B11C4_aP36_1_6a_22a_8a:Ca-S-Sn +mp-866622,Ca3Sn4S11,-4.8335487736000005,-1.080435685,0.1947656897,0.1947656897,GGA,P-1,A3B11C4_aP36_2_3i_11i_4i:Ca-S-Sn,36.0,A3B11C4_aP36_2_3i_11i_4i:Ca-S-Sn +mp-1100360,CaSn2S5,-4.8786083069,-1.0402341913,0.0936870589,0.0936870589,GGA,P-1,AB5C2_aP16_2_i_5i_abi:Ca-S-Sn,16.0,AB5C2_aP16_2_i_5i_abi:Ca-S-Sn +mp-1100368,CaSn2S5,-4.8793196734,-1.0409455579,0.0929756923,0.0929756923,GGA,P-1,AB5C2_aP32_2_2i_10i_be3i:Ca-S-Sn,32.0,AB5C2_aP32_2_2i_10i_be3i:Ca-S-Sn +mp-1100364,CaSn2S5,-4.6916412642,-0.8532671486000001,0.2806541016,0.2806541016,GGA,C2/m,AB5C2_mC48_12_ai_d7i_3i:Ca-S-Sn,24.0,AB5C2_mC48_12_ai_c7i_3i:Ca-S-Sn +mp-866506,CaSn2S5,-4.8049783688000005,-0.9666042532,0.167316997,0.167316997,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ca-S-Sn,32.0,AB5C2_mP32_14_e_5e_2e:Ca-S-Sn +mp-1100353,CaSn2S5,-4.8873298697,-1.0489557541,0.0849654961,0.0849654961,GGA,Pbam,AB5C2_oP32_55_g_eghi_fh:Ca-S-Sn,32.0,AB5C2_oP32_55_g_eghi_fh:Ca-S-Sn +mp-1100356,CaSn2S5,-4.8384061731,-1.0000320576,0.1338891927,0.1338891927,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-S-Sn,16.0,AB5C2_oP16_59_a_b2e_e:Ca-S-Sn +mp-1100366,CaSn2S5,-4.7780384469,-0.9396643313,0.1942569189,0.1942569189,GGA,Pnma,AB5C2_oP32_62_c_c2d_d:Ca-S-Sn,32.0,AB5C2_oP32_62_c_c2d_d:Ca-S-Sn +mp-1100369,CaSn2S5,-4.8047730853,-0.9663989698,0.1675222805,0.1675222805,GGA,Cmce,AB5C2_oC64_64_f_e2fg_2f:Ca-S-Sn,32.0,AB5C2_oC64_64_f_e2fg_2f:Ca-S-Sn +mp-866847,CaSn2S5,-4.783362385,-0.9449882695,0.1889329808,0.1889329808,GGA,Fd-3m,AB5C2_cF128_227_c_ef_e:Ca-S-Sn,32.0,AB5C2_cF128_227_c_ef_e:Ca-S-Sn +mp-866870,Ca7Sn3S13,-5.0589432447,-1.5875622449,0.1539986878,0.1539986878,GGA,Pnma,A7B13C3_oP92_62_c3d_3c5d_cd:Ca-S-Sn,92.0,A7B13C3_oP92_62_c3d_3c5d_cd:Ca-S-Sn +mp-866473,Ca4SnS6,-5.1449774368,-1.7949164753,0.1461510116,0.1461510116,GGA,Cc,A4B6C_mC44_9_4a_6a_a:Ca-S-Sn,22.0,A4B6C_mC44_9_4a_6a_a:Ca-S-Sn +mp-866871,Ca4SnS6,-5.1648806868,-1.8148197253,0.1262477616,0.1262477616,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ca-S-Sn,22.0,A4B6C_hR66_167_ae_f_b:Ca-S-Sn +mp-867022,CaSnS3,-4.8871891983,-1.2022849312,0.1859405429,0.1859405429,GGA,P1,AB3C_aP30_1_6a_18a_6a:Ca-S-Sn,30.0,AB3C_aP30_1_6a_18a_6a:Ca-S-Sn +mp-867053,CaSnS3,-4.8515950377,-1.1666907705,0.2215347036,0.2215347036,GGA,P1,AB3C_aP90_1_18a_54a_18a:Ca-S-Sn,90.0,AB3C_aP90_1_18a_54a_18a:Ca-S-Sn +mp-866629,CaSnS3,-4.8893429901,-1.204438723,0.1837867511,0.1837867511,GGA,P-1,AB3C_aP90_2_9i_27i_9i:Ca-S-Sn,90.0,AB3C_aP90_2_9i_27i_9i:Ca-S-Sn +mp-1100330,CaSnS3,-4.9641585047,-1.2792542375,0.1089712366,0.1089712366,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Ca-S-Sn,30.0,AB3C_aP30_2_3i_9i_3i:Ca-S-Sn +mp-1100335,CaSnS3,-4.982966499,-1.2980622319,0.0901632422,0.0901632422,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Ca-S-Sn,30.0,AB3C_aP30_2_3i_9i_3i:Ca-S-Sn +mp-866471,CaSnS3,-4.7552729945,-1.0703687274,0.3178567467,0.3178567467,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Ca-S-Sn,20.0,AB3C_cF80_227_c_f_d:Ca-S-Sn +mp-866504,CaSnS3,-4.890827037,-1.2059227699,0.1823027042,0.1823027042,GGA,P2_1,AB3C_mP30_4_3a_9a_3a:Ca-S-Sn,30.0,AB3C_mP30_4_3a_9a_3a:Ca-S-Sn +mp-1100345,CaSnS3,-4.96440673,-1.2795024629,0.1087230112,0.1087230112,GGA,P2_1,AB3C_mP10_4_a_3a_a:Ca-S-Sn,10.0,"Invalid WP multiplicities - AB3C_oP10_26_a_2a3b_b:Ca-S-Sn, expected CaSnS5 to be CaSnS3" +mp-867047,CaSnS3,-4.8603325182,-1.175428251,0.2127972231,0.2127972231,GGA,C2,AB3C_mC120_5_ab5c_18c_6c:Ca-S-Sn,60.0,AB3C_mC120_5_ab5c_18c_6c:Ca-S-Sn +mp-1100389,CaSnS3,-2.199625215,1.4852790521,2.8735045262,2.8735045262,GGA,C2,AB3C_mC20_5_c_3c_ab:Ca-S-Sn,10.0,AB3C_mC20_5_c_3c_ab:Ca-S-Sn +mp-1100343,CaSnS3,-4.77116527,-1.0862610029,0.3019644712,0.3019644712,GGA,Pm,AB3C_mP20_6_2a2b_2a2b4c_2c:Ca-S-Sn,20.0,"Invalid WP multiplicities - AB3C_mP20_6_2a2b_2a2b6c_4c:Ca-S-Sn, expected Ca(SnS2)2 to be CaSnS3" +mp-1100357,CaSnS3,-4.8178804836,-1.1329762165,0.2552492576,0.2552492576,GGA,C2/m,AB3C_mC50_12_a2i_be2i2j_c2i:Ca-S-Sn,25.0,"Invalid WP multiplicities - AB3C_mC50_12_b2i_af4i4j_c2i:Ca-S-Sn, expected Ca5Sn5S27 to be CaSnS3" +mp-866495,CaSnS3,-4.910440429,-1.2255361619,0.1626893122,0.1626893122,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ca-S-Sn,20.0,AB3C_mP20_14_e_3e_e:Ca-S-Sn +mp-866606,CaSnS3,-4.8973218157,-1.2124175485,0.1758079256,0.1758079256,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Ca-S-Sn,60.0,AB3C_mP60_14_3e_9e_3e:Ca-S-Sn +mp-866941,CaSnS3,-4.989766731,-1.3048624639,0.0833630102,0.0833630102,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ca-S-Sn,20.0,AB3C_mP20_14_e_3e_e:Ca-S-Sn +mp-1100358,CaSnS3,-4.9202409002,-1.2353366331,0.152888841,0.152888841,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Ca-S-Sn,40.0,AB3C_mP40_14_2e_6e_2e:Ca-S-Sn +mp-1100375,CaSnS3,-4.9643438333,-1.2794395662,0.1087859079,0.1087859079,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Ca-S-Sn,60.0,AB3C_mP60_14_3e_9e_3e:Ca-S-Sn +mp-866787,CaSnS3,-4.8713763437,-1.1864720766,0.2017533975,0.2017533975,GGA,C2/c,AB3C_mC240_15_ce5f_18f_6f:Ca-S-Sn,120.0,AB3C_mC240_15_ae5f_18f_6f:Ca-S-Sn +mp-1100379,CaSnS3,-4.9319234212000005,-1.247019154,0.1412063201,0.1412063201,GGA,C2/c,AB3C_mC120_15_a3ef_9f_3f:Ca-S-Sn,60.0,"Invalid WP multiplicities - AB3C_mC120_15_2c3e2f_17f_5f:Ca-S-Sn, expected Ca9(Sn5S17)2 to be CaSnS3" +mp-1100340,CaSnS3,-4.956830102,-1.2719258349,0.1162996392,0.1162996392,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:Ca-S-Sn,20.0,AB3C_oP20_19_a_3a_a:Ca-S-Sn +mp-1100365,CaSnS3,-4.8131802415,-1.1282759744,0.2599494997,0.2599494997,GGA,Pmc2_1,AB3C_oP20_26_ab_ab2c_c:Ca-S-Sn,20.0,AB3C_oP20_26_ab_ab2c_c:Ca-S-Sn +mp-1238933,CaSnS3,-4.9400641805,-1.2551599134,0.1330655607,0.1330655607,GGA,Pmc2_1,AB3C_oP20_26_ab_ab2c_c:Ca-S-Sn,20.0,AB3C_oP20_26_ab_ab2c_c:Ca-S-Sn +mp-866917,CaSnS3,-4.778053584,-1.0931493169,0.2950761572,0.2950761572,GGA,Amm2,AB3C_oC10_38_a_ae_b:Ca-S-Sn,5.0,AB3C_oC10_38_a_ae_b:Ca-S-Sn +mp-866894,CaSnS3,-4.578066252,-0.8931619849,0.4950634892,0.4950634892,GGA,Amm2,AB3C_oC10_38_b_ad_a:Ca-S-Sn,5.0,AB3C_oC10_38_b_ad_a:Ca-S-Sn +mp-1100334,CaSnS3,-4.5978516240000005,-0.9129473569,0.4752781172,0.4752781172,GGA,Amm2,AB3C_oC10_38_b_ad_a:Ca-S-Sn,5.0,AB3C_oC10_38_b_ad_a:Ca-S-Sn +mp-866845,CaSnS3,-4.908704038,-1.2237997709,0.1644257032,0.1644257032,GGA,Ima2,AB3C_oI20_46_b_bc_a:Ca-S-Sn,10.0,AB3C_oI20_46_b_bc_a:Ca-S-Sn +mp-866811,CaSnS3,-4.9992920095,-1.3143877424,0.0738377317,0.0738377317,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ca-S-Sn,20.0,AB3C_oP20_62_c_3c_c:Ca-S-Sn +mp-866936,CaSnS3,-4.8596792995,-1.1747750324,0.2134504417,0.2134504417,GGA,Pnma,AB3C_oP20_62_c_cd_c:Ca-S-Sn,20.0,AB3C_oP20_62_c_cd_c:Ca-S-Sn +mp-866844,CaSnS3,-4.96161246,-1.2767081929,0.1115172812,0.1115172812,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-S-Sn,20.0,AB3C_oP20_62_c_cd_a:Ca-S-Sn +mp-866850,CaSnS3,-4.984162966,-1.2992586989,0.0889667752,0.0889667752,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ca-S-Sn,10.0,AB3C_oC20_63_c_cf_a:Ca-S-Sn +mp-1100329,CaSnS3,-4.912291366,-1.2273870989,0.1608383752,0.1608383752,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ca-S-Sn,10.0,AB3C_oC20_63_c_cf_a:Ca-S-Sn +mp-1100371,CaSnS3,-4.82186684,-1.1369625729,0.2512629012,0.2512629012,GGA,Cmcm,AB3C_oC60_63_cf_cfgh_af:Ca-S-Sn,30.0,"Invalid WP multiplicities - AB3C_oC60_63_cf_2c4f3g5h_af:Ca-S-Sn, expected CaSnS12 to be CaSnS3" +mp-866505,CaSnS3,-4.9091017564,-1.2241974893,0.1640279848,0.1640279848,GGA,P4_1,AB3C_tP100_76_5a_15a_5a:Ca-S-Sn,100.0,AB3C_tP100_76_5a_15a_5a:Ca-S-Sn +mp-1331908,CaSnS3,-4.9096085689,-1.2247043018,0.1635211723,0.1635211723,GGA,P4_3,AB3C_tP100_78_5a_15a_5a:Ca-S-Sn,100.0,AB3C_tP100_78_5a_15a_5a:Ca-S-Sn +mp-1100381,CaSnS3,-5.0061546775,-1.3212504104,0.0669750637,0.0669750637,GGA,I4_1/a,AB3C_tI160_88_cef_6f_abdf:Ca-S-Sn,80.0,AB3C_tI160_88_cef_6f_abdf:Ca-S-Sn +mp-1100325,CaSnS3,-4.847989588,-1.1630853209,0.2251401532,0.2251401532,GGA,P4mm,AB3C_tP5_99_b_ac_a:Ca-S-Sn,5.0,AB3C_tP5_99_b_ac_a:Ca-S-Sn +mp-866826,CaSnS3,-5.000754142,-1.3158498749,0.0723755992,0.0723755992,GGA,R-3,AB3C_hR30_148_c_f_c:Ca-S-Sn,10.0,AB3C_hR30_148_c_f_c:Ca-S-Sn +mp-866951,CaSnS3,-4.6379909307,-0.9530866635,0.4351388106,0.4351388106,GGA,R-3m,AB3C_hR45_166_bc_dh_ac:Ca-S-Sn,15.0,AB3C_hR45_166_bc_dh_ac:Ca-S-Sn +mp-1054609,CaSnS3,-4.7039865160000005,-1.0190822489,0.3691432252,0.3691432252,GGA,R-3m,AB3C_hR45_166_bc_dh_ac:Ca-S-Sn,15.0,AB3C_hR45_166_bc_dh_ac:Ca-S-Sn +mp-866519,CaSnS3,-4.877091551,-1.1921872839,0.1960381902,0.1960381902,GGA,R-3c,AB3C_hR30_167_a_e_b:Ca-S-Sn,10.0,AB3C_hR30_167_a_e_b:Ca-S-Sn +mp-1100328,CaSnS3,-4.845566586,-1.1606623189,0.2275631552,0.2275631552,GGA,P-6m2,AB3C_hP5_187_b_ah_c:Ca-S-Sn,15.0,AB3C_hP5_187_b_ah_c:Ca-S-Sn +mp-866833,CaSnS3,-4.683644213,-0.9987399459,0.3894855282,0.3894855282,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ca-S-Sn,10.0,AB3C_hP10_194_c_h_a:Ca-S-Sn +mp-1100323,CaSnS3,-4.6196888765,-0.9347846094,0.4534408647,0.4534408647,GGA,P6_3/mmc,AB3C_hP20_194_ac_gh_f:Ca-S-Sn,20.0,AB3C_hP20_194_ac_gh_f:Ca-S-Sn +mp-1100344,CaSnS3,-4.696124967,-1.0112206999,0.3770047742,0.3770047742,GGA,P6_3/mmc,AB3C_hP40_194_abf_ghk_2f:Ca-S-Sn,40.0,AB3C_hP40_194_abf_ghk_2f:Ca-S-Sn +mp-866565,CaSnS3,-4.8382225748,-1.1533183076,0.2349071665,0.2349071665,GGA,P2_13,AB3C_cP40_198_2a_2b_2a:Ca-S-Sn,40.0,AB3C_cP40_198_2a_2b_2a:Ca-S-Sn +mp-866816,CaSnS3,-4.59286501,-0.9079607429,0.4802647312,0.4802647312,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-S-Sn,5.0,AB3C_cP5_221_a_c_b:Ca-S-Sn +mp-866820,CaSnS3,-4.067921308,-0.3830170409,1.0052084332,1.0052084332,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-S-Sn,5.0,AB3C_cP5_221_b_c_a:Ca-S-Sn +mp-1100790,Ca3Sn5S13,-4.8220218879,-1.0201882125,0.1742816625,0.1742816625,GGA,P2/m,A3B13C5_mP105_10_dj2m2o_ai3m6n11o_bi3n4o:Ca-S-Sn,105.0,A3B13C5_mP105_10_ck2m2o_ai3m6n11o_bi3n4o:Ca-S-Sn +mp-866869,Ca3Sn2S7,-5.0393182004,-1.4567271656,0.1010344578,0.1010344578,GGA,P2_1/c,A3B7C2_mP48_14_3e_7e_2e:Ca-S-Sn,48.0,A3B7C2_mP48_14_3e_7e_2e:Ca-S-Sn +mp-866475,Ca3Sn2S7,-5.0556569308,-1.473065896,0.0846957274,0.0846957274,GGA,Pbam,A3B7C2_oP24_55_ag_dg2h_h:Ca-S-Sn,24.0,A3B7C2_oP24_55_ag_dg2h_h:Ca-S-Sn +mp-1100350,Ca3Sn2S7,-5.0399795883,-1.4573885535,0.1003730699,0.1003730699,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-S-Sn,24.0,A3B7C2_oC48_36_ab_a3b_b:Ca-S-Sn +mp-1100362,Ca3Sn2S7,-5.1063217462,-1.5237307114,0.034030912,0.034030912,GGA,Ima2,A3B7C2_oI96_46_ab2c_2b6c_abc:Ca-S-Sn,48.0,A3B7C2_oI96_46_ab2c_2b6c_abc:Ca-S-Sn +mp-866493,Ca3Sn2S7,-4.7813156246,-1.1987245897,0.3590370336,0.3590370336,GGA,Pmmm,A3B7C2_oP24_47_ahil_bgi2j2kl_il:Ca-S-Sn,24.0,A3B7C2_oP24_47_ahil_bgi2j2kl_il:Ca-S-Sn +mp-866827,Ca3Sn2S7,-4.9556851137,-1.3730940789,0.1846675445,0.1846675445,GGA,Cmcm,A3B7C2_oC48_63_cg_c2eg_g:Ca-S-Sn,24.0,A3B7C2_oC48_63_cg_c2eg_g:Ca-S-Sn +mp-866873,Ca3Sn2S7,-4.8277744158,-1.245183381,0.3125782424,0.3125782424,GGA,Cccm,A3B7C2_oC48_66_el_f2gl_l:Ca-S-Sn,24.0,A3B7C2_oC48_66_el_f2gl_l:Ca-S-Sn +mp-866849,Ca3Sn2S7,-4.7810233375,-1.1984323027,0.3593293207,0.3593293207,GGA,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Ca-S-Sn,12.0,A3B7C2_tI24_139_ae_beg_e:Ca-S-Sn +mp-1100378,Ca5Sn3S11,-5.0869665284,-1.5313000284,0.0710763711,0.0710763711,GGA,P-1,A5B11C3_aP38_2_5i_11i_3i:Ca-S-Sn,38.0,A5B11C3_aP38_2_5i_11i_3i:Ca-S-Sn +mp-1227740,Ca3Er2(SnS4)3,-5.453148845,-1.6122312836,0.0238753846,0.0238753846,GGA,Amm2,A3B2C12D3_oC40_38_ad_d_2a2d3e_be:Ca-Er-S-Sn,20.0,"Invalid WP multiplicities - A3B2C12D3_oC40_38_ad_d_2a2d6e_be:Ca-Er-S-Sn, expected Ca3Er2(SnS6)3 to be Ca3Er2(SnS4)3" +mp-1100349,Ca4Sn3S10,-5.0099358276,-1.3972526657,0.1106453844,0.1106453844,GGA,P2_1,A4B10C3_mP34_4_4a_10a_3a:Ca-S-Sn,34.0,A4B10C3_mP34_4_4a_10a_3a:Ca-S-Sn +mp-1100361,Ca4Sn3S10,-5.0155659954,-1.4028828335,0.1050152166,0.1050152166,GGA,Pbca,A4B10C3_oP68_61_2c_5c_ac:Ca-S-Sn,68.0,A4B10C3_oP68_61_2c_5c_ac:Ca-S-Sn +mp-1100352,Ca4Sn3S10,-4.8697901903,-1.2571070283,0.2507910218,0.2507910218,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Ca-S-Sn,,A4B10C3_oC68_64_2f_e2fg_af:Ca-S-Sn +mp-1100341,Ca4Sn3S10,-4.7253241059,-1.1126409439,0.3952571062,0.3952571062,GGA,I4/mmm,A4B10C3_tI34_139_2e_c2eg_ae:Ca-S-Sn,17.0,A4B10C3_tI34_139_2e_c2eg_ae:Ca-S-Sn +mp-1100363,CaSn3S7,-4.6808207291,-0.7726875915,0.2456408297,0.2456408297,GGA,Pmmn,AB7C3_oP22_59_b_aeg_ae:Ca-S-Sn,22.0,AB7C3_oP22_59_b_aeg_ae:Ca-S-Sn +mp-1100376,CaSn3S7,-4.6834407659,-0.7753076284,0.2430207928,0.2430207928,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-S-Sn,44.0,AB7C3_oP44_62_c_c3d_cd:Ca-S-Sn +mp-1100384,CaSn5S11,-4.7358079022,-0.7620192145,0.1475159558,0.1475159558,GGA,P2_1/c,AB11C5_mP68_14_e_11e_5e:Ca-S-Sn,68.0,AB11C5_mP68_14_e_11e_5e:Ca-S-Sn +mp-866952,Ca5Sn4S13,-4.6944528023,-1.0653557528,0.4153439846,0.4153439846,GGA,I4/mmm,A5B13C4_tI44_139_a2e_b2e2g_2e:Ca-S-Sn,22.0,A5B13C4_tI44_139_a2e_b2e2g_2e:Ca-S-Sn +mp-1247782,CaSn6S13,-4.7241929298,-0.7323489658,0.1472680606,0.1472680606,GGA,P-1,AB13C6_aP40_2_i_13i_6i:Ca-S-Sn,40.0,AB13C6_aP40_2_i_13i_6i:Ca-S-Sn +mp-867030,Ca4Sn5S14,-4.843994404,-1.10570932,0.194062511,0.194062511,GGA,Pbca,A4B14C5_oP184_61_4c_14c_5c:Ca-S-Sn,184.0,A4B14C5_oP184_61_4c_14c_5c:Ca-S-Sn +mp-866538,Ca6Sn5S16,-4.669700073,-1.0302683535,0.4333065203,0.4333065203,GGA,I4/mmm,A6B16C5_tI54_139_3e_c3e2g_a2e:Ca-S-Sn,27.0,A6B16C5_tI54_139_3e_c3e2g_a2e:Ca-S-Sn +mp-1100346,Ca2Sn3S8,-4.9699349631,-1.1905877123,0.0411428548,0.0411428548,GGA,R-3m,A2B8C3_hR39_166_c_ch_d:Ca-S-Sn,13.0,A2B8C3_hR39_166_c_ch_d:Ca-S-Sn +mp-1214096,Ca(ErS2)2,-6.3288662571,-2.3736038332,0.0134870229,0.0024372383,GGA,Cmc2_1,AB2C4_oC28_36_a_2a_4a:Ca-Er-S,14.0,AB2C4_oC28_36_a_2a_4a:Ca-Er-S +mp-1194059,Ca(ErS2)2,-6.34235328,-2.3870908561,0.0,-0.0110497845,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Er-S,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Er-S +mp-1100380,CaSn4S9,-4.7508936561,-0.8028982202,0.1493771558,0.1493771558,GGA,P2/c,AB9C4_mP28_13_e_f4g_2g:Ca-S-Sn,28.0,AB9C4_mP28_13_e_f4g_2g:Ca-S-Sn +mp-1100385,CaSn4S9,-4.7846288171,-0.8366333813,0.1156419947,0.1156419947,GGA,Pmmn,AB9C4_oP28_59_a_b4e_2e:Ca-S-Sn,28.0,AB9C4_oP28_59_a_b4e_2e:Ca-S-Sn +mp-1100377,CaSn4S9,-4.7412653288,-0.7932698930000001,0.1590054831,0.1590054831,GGA,P321,AB9C4_hP42_150_e_f4g_adfg:Ca-S-Sn,42.0,AB9C4_hP42_150_e_f4g_adfg:Ca-S-Sn +mp-1100367,Ca3SnS5,-5.0880142415,-1.6759452604,0.1631522099,0.1631522099,GGA,Cm,A3B5C_mC54_8_3a3b_9a3b_3a:Ca-S-Sn,27.0,A3B5C_mC54_8_3a3b_9a3b_3a:Ca-S-Sn +mp-866863,Ca3SnS5,-5.0439597808,-1.6318907998,0.2072066706,0.2072066706,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Ca-S-Sn,36.0,A3B5C_oP36_62_cd_3cd_c:Ca-S-Sn +mp-866830,Ca3SnS5,-4.9955363394,-1.5834673584,0.2556301119,0.2556301119,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ca-S-Sn,18.0,A3B5C_tI36_140_ah_cl_b:Ca-S-Sn +mp-1100370,Ca3SnS5,-5.1460952633,-1.7340262823,0.1050711881,0.1050711881,GGA,R3m,A3B5C_hR81_160_3b_6a3b_3a:Ca-S-Sn,27.0,A3B5C_hR81_160_3b_6a3b_3a:Ca-S-Sn +mp-1100373,Ca3SnS5,-5.091304667,-1.6792356860000002,0.1598617844,0.1598617844,GGA,R3m,A3B5C_hR81_160_3b_6a3b_3a:Ca-S-Sn,27.0,A3B5C_hR81_160_3b_6a3b_3a:Ca-S-Sn +mp-866509,Ca3SnS5,-5.0412821694,-1.6292131884,0.2098842819,0.2098842819,GGA,P6_3cm,A3B5C_hP18_185_c_bc_a:Ca-S-Sn,18.0,A3B5C_hP18_185_c_bc_a:Ca-S-Sn +mp-866834,Ca2SnS4,-5.0620788557,-1.5525687011,0.1262901718,0.12314171,GGA,P2_1/m,A2B4C_mP14_11_2e_2ef_e:Ca-S-Sn,14.0,A2B4C_mP14_11_2e_2ef_e:Ca-S-Sn +mp-866522,Ca2SnS4,-5.0408642343,-1.5313540796,0.1475047932,0.1443563314,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Ca-S-Sn,7.0,A2B4C_mC14_12_i_2i_a:Ca-S-Sn +mp-866521,Ca2SnS4,-5.0516620096,-1.5421518550000002,0.1367070179,0.1335585561,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn,28.0,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn +mp-866520,Ca2SnS4,-5.0798154529,-1.5703052982,0.1085535746,0.1054051129,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn,28.0,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn +mp-1100347,Ca2SnS4,-5.0655259946,-1.55601584,0.1228430329,0.1196945711,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn,28.0,A2B4C_mP28_14_2e_4e_e:Ca-S-Sn +mp-866470,Ca2SnS4,-4.7687655304,-1.2592553757,0.4196034971,0.4164550354,GGA,Pbam,A2B4C_oP28_55_gh_ghi_e:Ca-S-Sn,28.0,A2B4C_oP28_55_gh_ghi_e:Ca-S-Sn +mp-866829,Ca2SnS4,-5.0290876543,-1.5195774996,0.1592813732,0.1561329114,GGA,C222_1,A2B4C_oC28_20_c_2ac_b:Ca-S-Sn,14.0,A2B4C_oC28_20_c_2ac_b:Ca-S-Sn +mp-866813,Ca2SnS4,-5.0749179239,-1.5654077693,0.1134511036,0.1103026418,GGA,Pna2_1,A2B4C_oP56_33_4a_8a_2a:Ca-S-Sn,56.0,A2B4C_oP56_33_4a_8a_2a:Ca-S-Sn +mp-866810,Ca2SnS4,-5.11773009,-1.6082199354,0.0706389375,0.0674904757,GGA,Ama2,A2B4C_oC28_40_ab_2bc_b:Ca-S-Sn,14.0,A2B4C_oC28_40_ab_2bc_b:Ca-S-Sn +mp-866824,Ca2SnS4,-5.1603276714,-1.6508175168,0.0280413561,0.0248928943,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Ca-S-Sn,14.0,A2B4C_oP14_55_g_gh_b:Ca-S-Sn +mp-866883,Ca2SnS4,-5.0987347375,-1.5892245829,0.08963429,0.0864858282,GGA,Pbca,A2B4C_oP28_61_c_2c_a:Ca-S-Sn,28.0,A2B4C_oP28_61_c_2c_a:Ca-S-Sn +mp-866474,Ca2SnS4,-5.1496281414,-1.6401179868,0.0387408861,0.0355924243,GGA,Pnma,A2B4C_oP28_62_d_2cd_c:Ca-S-Sn,28.0,A2B4C_oP28_62_d_2cd_c:Ca-S-Sn +mp-866503,Ca2SnS4,-5.1883690275,-1.6788588729,0.0,-0.0031484618,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ca-S-Sn,28.0,A2B4C_oP28_62_ac_2cd_c:Ca-S-Sn +mp-866832,Ca2SnS4,-4.9823978811,-1.4728877264,0.2059711464,0.2028226846,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ca-S-Sn,28.0,A2B4C_oP28_62_2c_2cd_c:Ca-S-Sn +mp-866496,Ca2SnS4,-4.9006429993000005,-1.3911328446,0.2877260282,0.2845775664,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ca-S-Sn,28.0,A2B4C_oP28_62_2c_4c_c:Ca-S-Sn +mp-866539,Ca2SnS4,-4.8745476443,-1.3650374896,0.3138213832,0.3106729214,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Ca-S-Sn,28.0,A2B4C_oP28_62_2c_4c_c:Ca-S-Sn +mp-866818,Ca2SnS4,-5.1697761071,-1.6602659525,0.0185929204,0.0154444586,GGA,Cmmm,A2B4C_oC14_65_f_gj_a:Ca-S-Sn,7.0,A2B4C_oC14_65_f_gj_a:Ca-S-Sn +mp-866922,Ca2SnS4,-4.99454609,-1.4850359354,0.1938229375,0.1906744757,GGA,I-4,A2B4C_tI14_82_ac_g_b:Ca-S-Sn,7.0,A2B4C_tI14_82_ac_g_b:Ca-S-Sn +mp-866943,Ca2SnS4,-5.0865772796,-1.577067125,0.1017917479,0.0986432861,GGA,P4_122,A2B4C_tP28_91_ac_2d_b:Ca-S-Sn,28.0,A2B4C_tP28_91_ac_2d_b:Ca-S-Sn +mp-866819,Ca2SnS4,-4.8298676871,-1.3203575325,0.3585013404,0.3553528786,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ca-S-Sn,7.0,A2B4C_tI14_139_e_ce_a:Ca-S-Sn +mp-1100338,Ca2SnS4,-4.8000638114,-1.2905536568,0.3883052161,0.3851567543,GGA,P6_3mc,A2B4C_hP14_186_ab_bc_b:Ca-S-Sn,14.0,A2B4C_hP14_186_ab_bc_b:Ca-S-Sn +mp-866580,Ca2SnS4,-5.1155618119,-1.6060516573,0.0728072156,0.0696587538,GGA,P-62m,A2B4C_hP21_189_adg_2gj_f:Ca-S-Sn,21.0,A2B4C_hP21_189_adg_2gj_f:Ca-S-Sn +mp-1100332,Ca2SnS4,-5.0975552071,-1.5880450525,0.0908138204,0.0876653586,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ca-S-Sn,14.0,A2B4C_cF56_227_c_e_b:Ca-S-Sn +mp-1173632,Sr16Fe16O43,-7.2833414548,-2.2798767988,0.0480702071,0.0480702071,GGA+U,P-1,A16B43C16_aP75_2_8i_abcef19i_dg7i:Fe-O-Sr,75.0,"Invalid WP multiplicities - A16B43C16_aP75_2_14i_abcef38i_dg14i:Fe-O-Sr, expected Sr30Fe28O81 to be Sr16Fe16O43" +mp-765020,Sr24Fe16O53,-6.8856917741,-2.17340485,0.2745611645,0.2745611645,GGA+U,C2/m,A16B53C24_mC186_12_gh3j_bgh2i11j_acgh3i3j:Fe-O-Sr,93.0,"Invalid WP multiplicities - A16B53C24_mC186_12_g2h6j_b2g2h4i35j_acgh6i10j:Fe-O-Sr, expected Sr58Fe30O157 to be Sr24Fe16O53" +mp-1094111,Sr5Fe5O14,-7.2767534729,-2.2746195032,0.0151288246,0.0151288246,GGA+U,Pmmm,A5B14C5_oP48_47_ae2i2k_bg2i2j2k2lm2y_p2z:Fe-O-Sr,48.0,"Invalid WP multiplicities - A5B14C5_oP48_47_ae4i4k_bg3i3j3k4l2m7y_2p6z:Fe-O-Sr, expected Sr14(Fe3O10)3 to be Sr5Fe5O14" +mp-19004,Sr8Fe8O23,-7.2652283951,-2.2639474293,0.0006412341,0.0006412341,GGA+U,I4/mmm,A8B23C8_tI78_139_def_achkm_ij:Fe-O-Sr,39.0,"Invalid WP multiplicities - A8B23C8_tI78_139_def_achk2m_ij:Fe-O-Sr, expected Sr8Fe8O31 to be Sr8Fe8O23" +mp-1094099,Sr10Fe10O27,-7.2968650174,-2.2935513613,0.0301541632,0.0301541632,GGA+U,Pmm2,A10B27C10_oP47_25_5a5c_4a4b5c4d5e_5f:Fe-O-Sr,47.0,"Invalid WP multiplicities - A10B27C10_oP47_25_5a5c_4a4b5c4d10e_10f:Fe-O-Sr, expected Sr20Fe10O37 to be Sr10Fe10O27" +mp-1204222,Sr4Fe4O13,-6.7313792171,-1.7339976981,0.3844148739,0.3844148739,GGA+U,Iba2,A4B13C4_oI84_45_2c_a6c_2c:Fe-O-Sr,42.0,A4B13C4_oI84_45_2c_a6c_2c:Fe-O-Sr +mp-698682,Sr16Fe16O41,-7.2512627899,-2.2462426286,0.1118298348,0.1118298348,GGA+U,P-1,A16B41C16_aP73_2_8i_abcef18i_dg7i:Fe-O-Sr,73.0,"Invalid WP multiplicities - A16B41C16_aP73_2_15i_abcef36i_dg13i:Fe-O-Sr, expected Sr28Fe30O77 to be Sr16Fe16O41" +mp-510624,SrFeO3,-7.22424936,-2.2243332006,0.0,-0.0111540907,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Sr,5.0,AB3C_cP5_221_b_c_a:Fe-O-Sr +mp-1094087,Sr10Fe10O29,-7.2525569873,-2.2515545535,0.0048187094,0.0048187094,GGA+U,Pmmm,A10B29C10_oP49_47_ae2i2k_bcg2i2j2k2lm2y_p2z:Fe-O-Sr,49.0,"Invalid WP multiplicities - A10B29C10_oP49_47_ae4i4k_bcg3i4j3k4l2m7y_2p6z:Fe-O-Sr, expected Sr28(Fe2O7)9 to be Sr10Fe10O29" +mp-1079306,Sr3Fe2O5,-7.054222101,-2.3800254674,0.0817528905,0.0817528905,GGA+U,Cmmm,A2B5C3_oC20_65_g_a2g_ch:Fe-O-Sr,20.0,A2B5C3_oC20_65_g_a2g_ch:Fe-O-Sr +mp-19218,Sr3Fe2O5,-7.116014958,-2.4418183244,0.0199600335,0.0199600335,GGA+U,Immm,A2B5C3_oI20_71_e_aef_be:Fe-O-Sr,10.0,A2B5C3_oI20_71_e_aef_be:Fe-O-Sr +mp-698670,Sr14Fe14O39,-7.2811688087,-2.2788693307,0.015760723,0.015760723,GGA+U,P1,A14B39C14_aP67_1_14a_39a_14a:Fe-O-Sr,67.0,A14B39C14_aP67_1_14a_39a_14a:Fe-O-Sr +mp-690536,Sr4Fe4O11,-7.2865919742,-2.2838743702,0.0230884647,0.0230884647,GGA+U,Pnnm,A4B11C4_oP38_58_2g_abc2gh_h:Fe-O-Sr,38.0,"Invalid WP multiplicities - A4B11C4_oP38_58_7g_2a2b2c8g6h_h:Fe-O-Sr, expected Sr2Fe7O23 to be Sr4Fe4O11" +mp-21059,Sr4Fe4O11,-7.2997520426,-2.2970344386,0.0099283963,0.0099283963,GGA+U,Cmmm,A4B11C4_oC38_65_ej_cgr_abh:Fe-O-Sr,19.0,A4B11C4_oC38_65_ej_cgr_abh:Fe-O-Sr +mp-1071505,Sr2FeO3,-7.0134246658,-2.5652456241,0.0,-0.0016183208,GGA+U,Immm,AB3C2_oI12_71_a_ce_e:Fe-O-Sr,24.0,AB3C2_oI12_71_a_ce_e:Fe-O-Sr +mp-1184418,Fe2Ir2O5,-7.24178865,-0.6473048349,0.7220836939,0.7220836939,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Fe-Ir-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Fe-Ir-O, expected Fe2Ir2O9 to be Fe2Ir2O5" +mp-758049,Sr12Fe8O27,-7.1492132047,-2.4344326446,0.0,-0.0012515326,GGA+U,P-1,A8B27C12_aP47_2_4i_a13i_6i:Fe-O-Sr,47.0,"Invalid WP multiplicities - A8B27C12_aP47_2_7i_a25i_11i:Fe-O-Sr, expected Sr22Fe14O51 to be Sr12Fe8O27" +mp-1200902,Sr2(FeO2)3,-7.4899147532,-2.1745344983,0.0369188848,0.0369188848,GGA+U,P4_2/mnm,A3B6C2_tP44_136_fj_abc2j_j:Fe-O-Sr,44.0,A3B6C2_tP44_136_fj_abc2j_j:Fe-O-Sr +mp-685527,Sr18Fe18O47,-7.2606053483,-2.256200127,0.0901474229,0.0901474229,GGA+U,P-1,A18B47C18_aP83_2_9i_abceg21i_df8i:Fe-O-Sr,83.0,"Invalid WP multiplicities - A18B47C18_aP83_2_16i_abceg42i_df16i:Fe-O-Sr, expected Sr34Fe32O89 to be Sr18Fe18O47" +mp-18924,Sr3(FeO3)2,-7.2152349591,-2.5162663184,0.0,-0.015153088,GGA+U,I4/mmm,A2B6C3_tI22_139_e_eg_ae:Fe-O-Sr,11.0,A2B6C3_tI22_139_e_eg_ae:Fe-O-Sr +mp-1208946,Sr2FeIrO6,-7.259953373,-2.2231959166,0.0,-0.0853132525,GGA+U,P-1,ABC6D2_aP10_2_b_e_3i_i:Fe-Ir-O-Sr,10.0,ABC6D2_aP10_2_b_e_3i_i:Fe-Ir-O-Sr +mp-772462,Sr21Fe14O47,-7.1528773017,-2.4388037787,0.0,-0.0007119048,GGA+U,P-1,A14B47C21_aP82_2_7i_a23i_b10i:Fe-O-Sr,82.0,"Invalid WP multiplicities - A14B47C21_aP82_2_14i_a46i_b19i:Fe-O-Sr, expected Sr39Fe28O93 to be Sr21Fe14O47" +mp-773104,Sr24Fe16O55,-7.1309898141,-2.4137681156,0.0003125857,0.0003125857,GGA+U,C2/m,A16B55C24_mC190_12_gh3j_bgh3i11j_acgh3i3j:Fe-O-Sr,95.0,"Invalid WP multiplicities - A16B55C24_mC190_12_gh10j_b2gh6i41j_acg2h6i9j:Fe-O-Sr, expected Sr56Fe44O183 to be Sr24Fe16O55" +mp-1173217,Sr4Fe3O10,-7.0769757032,-2.2749213176,0.0692845109,0.0692845109,GGA+U,P-1,A3B10C4_aP34_2_3i_10i_4i:Fe-O-Sr,34.0,"Invalid WP multiplicities - A3B10C4_aP34_2_5i_18i_8i:Fe-O-Sr, expected Sr8Fe5O18 to be Sr4Fe3O10" +mp-530945,Sr16Fe16O47,-7.2417839599,-2.2411940353,0.0030121153,0.0030121153,GGA+U,I4/mmm,A16B47C16_tI158_139_2egm_acdefh2mo_ijn:Fe-O-Sr,79.0,"Invalid WP multiplicities - A16B47C16_tI158_139_4e4g5m_a2c2d2e4f4h13m8o_3i3j5n:Fe-O-Sr, expected Sr64Fe64O277 to be Sr16Fe16O47" +mp-530473,Sr16Fe16O45,-7.2750814155,-2.2730914594,0.0124091329,0.0124091329,GGA+U,P1,A16B45C16_aP77_1_16a_45a_16a:Fe-O-Sr,77.0,A16B45C16_aP77_1_16a_45a_16a:Fe-O-Sr +mp-1218842,Sr2Fe2O5,-7.3627371656,-2.3569068452,0.0166127265,0.0166127265,GGA+U,C2/m,A2B5C2_mC36_12_ei_ghij_j:Fe-O-Sr,18.0,"Invalid WP multiplicities - A2B5C2_mC36_12_ei_2ghij_j:Fe-O-Sr, expected SrFeO3 to be Sr2Fe2O5" +mp-1205087,Sr2Fe2O5,-7.3788071592,-2.3729768388,0.0005427328,0.0005427328,GGA+U,Pbcm,A2B5C2_oP72_57_ac2d_2d4e_2e:Fe-O-Sr,72.0,A2B5C2_oP72_57_ac2d_2d4e_2e:Fe-O-Sr +mp-505440,Sr4Fe6O13,-7.4856655935,-2.1863154057,0.0506637996,0.0506637996,GGA+U,Iba2,A6B13C4_oI92_45_3c_a6c_2c:Fe-O-Sr,46.0,A6B13C4_oI92_45_3c_a6c_2c:Fe-O-Sr +mp-764930,Sr2Fe23O38,-7.7910945163,-1.6615128376,0.1147681988,0.1147681988,GGA+U,P1,A23B38C2_aP63_1_23a_38a_2a:Fe-O-Sr,63.0,A23B38C2_aP63_1_23a_38a_2a:Fe-O-Sr +mp-761131,Sr2Fe23O38,-7.801481907,-1.6719002282000002,0.1043808082,0.1043808082,GGA+U,Cm,A23B38C2_mC126_8_15a4b_18a10b_2a:Fe-O-Sr,63.0,"Invalid WP multiplicities - A23B38C2_mC126_8_15a7b_18a20b_2a:Fe-O-Sr, expected Sr2(FeO2)29 to be Sr2Fe23O38" +mp-1101422,Sr2Fe23O38,-7.8018698814,-1.6722882026,0.1039928337,0.1039928337,GGA+U,P3m1,A23B38C2_hP63_156_4a4b3c4d_2a2b4c10d_ab:Fe-O-Sr,63.0,"Invalid WP multiplicities - A23B38C2_hP63_156_4a4b3c10d_2a2b4c30d_ab:Fe-O-Sr, expected Sr2Fe41O98 to be Sr2Fe23O38" +mp-1218653,SrFe12O19,-7.8887835191,-1.7226324726,0.0817672468,0.0817672468,GGA+U,P6_3mc,A12B19C_hP64_186_2a4b2c_2a2b5c_b:Fe-O-Sr,64.0,A12B19C_hP64_194_ab2fk_efh2k_c:Fe-O-Sr +mp-3742,SrFe12O19,-7.898079541099999,-1.7319284946,0.0724712247,0.0724712247,GGA+U,P6_3/mmc,A12B19C_hP64_194_ab2fk_efh2k_c:Fe-O-Sr,64.0,A12B19C_hP64_194_ab2fk_efh2k_c:Fe-O-Sr +mp-18820,Sr3Fe2O7,-7.1137647367,-2.3941527568,0.0,-0.0012136292,GGA+U,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Fe-O-Sr,12.0,A2B7C3_tI24_139_e_aeg_be:Fe-O-Sr +mp-21926,Sr(FeO2)2,-7.6372447866,-2.1492032554,0.0,-0.0137700271,GGA+U,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Fe-O-Sr,56.0,A2B4C_mP56_14_4e_8e_2e:Fe-O-Sr +mp-19102,Sr2FeO4,-7.0327666414,-2.5133719326,0.0,-0.0215657136,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Fe-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Fe-O-Sr +mp-21145,SrFeO2,-7.3061605725,-2.292937551,0.0136399075,0.0136399075,GGA+U,P4/mmm,AB2C_tP4_123_b_e_c:Fe-O-Sr,8.0,AB2C_tP4_123_b_e_c:Fe-O-Sr +mp-1035830,Mg14ZnCrO16,-6.392850425,-2.8783588263,0.0430789388,0.0430789388,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Zn, expected Mg18ZnCrO20 to be Mg14ZnCrO16" +mp-1035772,Mg14ZnCrO16,-6.3814371309,-2.8669455322,0.0544922329,0.0544922329,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Zn, expected Mg30ZnCrO32 to be Mg14ZnCrO16" +mp-1022591,Mg6ZnCr,-2.4377609612,0.1265479612,0.1733493833,0.1733493833,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Zn, expected Mg12ZnCr to be Mg6ZnCr" +mp-1022618,Mg6ZnCr,-2.4407071956,0.1236017269,0.1704031489,0.1704031489,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Zn, expected Mg12ZnCr to be Mg6ZnCr" +mp-1032507,Mg6ZnCrO8,-6.4544480219,-2.698949205,0.0898860258,0.0898860258,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Zn, expected Mg6ZnCrO12 to be Mg6ZnCrO8" +mp-1032533,Mg6ZnCrO8,-6.4537415206,-2.6982427038,0.090592527,0.090592527,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Zn, expected Mg6ZnCrO12 to be Mg6ZnCrO8" +mp-1028017,Mg14ZnCr,-2.0128138631,0.0694806231,0.106112326,0.106112326,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Zn, expected Mg18ZnCr to be Mg14ZnCr" +mp-1028001,Mg14ZnCr,-2.01696347,0.0653310163,0.1019627191,0.1019627191,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Zn, expected Mg26ZnCr to be Mg14ZnCr" +mp-1037502,Mg30ZnCrO32,-6.341169352,-2.9471813623000003,0.0405576699,0.0405576699,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Zn, expected Mg110ZnCrO72 to be Mg30ZnCrO32" +mp-1037573,Mg30ZnCrO32,-6.3612237625,-2.9672357728,0.0205032594,0.0205032594,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Zn, expected Mg90ZnCrO80 to be Mg30ZnCrO32" +mp-2226428,MgZn2Cr2O8,-6.5820395469,-1.7359340162,0.3123015285,0.3123015285,GGA+U,Pm,A2BC8D2_mP13_6_ab_a_2a2b2c_c:Cr-Mg-O-Zn,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_6_ab_a_2a2b4c_c:Cr-Mg-O-Zn, expected MgZn2Cr2O12 to be MgZn2Cr2O8" +mp-2219062,MgZn2Cr2O8,-6.5510164485,-1.7049109177,0.3433246269,0.3433246269,GGA+U,C2/m,A2BC8D2_mC26_12_i_b_2ij_ac:Cr-Mg-O-Zn,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_3i2j_bc:Cr-Mg-O-Zn, expected MgZn2Cr2O14 to be MgZn2Cr2O8" +mp-2219303,MgZn2Cr2O8,-6.7141124585,-1.8680069277,0.1802286169,0.1802286169,GGA+U,Amm2,A2BC8D2_oC26_38_ab_a_2cde_c:Cr-Mg-O-Zn,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_ab_a_4c2d2e_c:Cr-Mg-O-Zn, expected MgZn2Cr2O16 to be MgZn2Cr2O8" +mp-1112641,Cs2NbAuF6,-5.319470732,-2.6559841731,0.267426609,0.267426609,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Nb,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Nb +mp-1110866,K2LiPrCl6,-4.398173058,-2.3979884104,0.0696863815,0.0696863815,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Pr +mp-1113271,Cs2CeAgI6,-3.427136259,-1.4874714588,0.0121838438,0.0121838438,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Ce-Cs-I,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Ce-Cs-I +mp-1218471,Sr3TiRuO7,-7.6616533942,-2.9228870695,0.0049352679,0.0049352679,GGA,I4mm,A7BC3D_tI24_107_3a2b_a_3a_a:O-Ru-Sr-Ti,12.0,A7BC3D_tI24_107_3a2b_a_3a_a:O-Ru-Sr-Ti +mp-1202132,Sr5Ti7O19,-8.5380774281,-3.4508839798,0.0923493229,0.0923493229,GGA,Pmmm,A19B5C7_oP31_47_ai2j3x_cij_ek2l:O-Sr-Ti,31.0,A19B5C7_oP31_47_ai2j3x_cij_ek2l:O-Sr-Ti +mp-675134,Sr5Ti5O13,-8.2117353443,-3.3320883619,0.0479596281,0.0479596281,GGA,P-1,A13B5C5_aP23_2_f6i_c2i_a2i:O-Sr-Ti,23.0,"Invalid WP multiplicities - A13B5C5_aP23_2_f12i_c3i_a3i:O-Sr-Ti, expected Sr7Ti7O25 to be Sr5Ti5O13" +mp-1197629,Sr3Ti5O13,-8.6799441384,-3.4964730103,0.0421034864,0.0421034864,GGA,P2/m,A13B3C5_mP105_10_ai3m6n11o_dj2m2o_bi3n4o:O-Sr-Ti,105.0,A13B3C5_mP105_10_ai3m6n11o_ck2m2o_bi3n4o:O-Sr-Ti +mp-1197010,Sr5Ti9O23,-8.6848835627,-3.4610798931,0.0755457795,0.0755457795,GGA,P2/m,A23B5C9_mP74_10_ab3m3n8o_de2m2n_i4o:O-Sr-Ti,74.0,A23B5C9_mP74_10_ab3m3n8o_cf2m2n_i4o:O-Sr-Ti +mp-28740,SrTi11O20,-9.2878969745,-3.4293444789,0.0,-0.0083932452,GGA,P-1,A20BC11_aP64_2_20i_i_11i:O-Sr-Ti,64.0,"Invalid WP multiplicities - A20BC11_aP64_2_40i_i_21i:O-Sr-Ti, expected SrTi21O40 to be SrTi11O20" +mp-1218896,Sr10Ti(RuO5)4,-7.2609006789,-2.665991795,0.0026256437,0.0026256437,GGA,I4/mmm,A20B4C10D_tI70_139_c5e2g_2e_5e_a:O-Ru-Sr-Ti,35.0,"Invalid WP multiplicities - A20B4C10D_tI70_139_2c9e6g_3e_9e_a:O-Ru-Sr-Ti, expected Sr18Ti(Ru3O23)2 to be Sr10Ti(RuO5)4" +mp-1097778,Sr2Ti2O5,-8.1500411,-3.2718839338,0.0601183326,0.0601183326,GGA,Imm2,A5B2C2_oI36_44_2cde_2c_abc:O-Sr-Ti,18.0,"Invalid WP multiplicities - A5B2C2_oI36_44_3cde_3c_abc:O-Sr-Ti, expected Sr3Ti2O6 to be Sr2Ti2O5" +mp-1076454,Sr2Ti2O5,-8.1373562917,-3.2591991254,0.0728031409,0.0728031409,GGA,Ima2,A5B2C2_oI36_46_b2c_c_ab:O-Sr-Ti,18.0,A5B2C2_oI36_46_b2c_c_ab:O-Sr-Ti +mp-1094086,Sr2Ti2O5,-8.14492103,-3.2667638637,0.0652384026,0.0652384026,GGA,Pnma,A5B2C2_oP36_62_c2d_d_ac:O-Sr-Ti,36.0,A5B2C2_oP36_62_c2d_d_ac:O-Sr-Ti +mp-1094047,Sr2Ti2O5,-8.1343184067,-3.2561612404,0.0758410259,0.0758410259,GGA,Cmmm,A5B2C2_oC18_65_aeh_j_g:O-Sr-Ti,9.0,A5B2C2_oC18_65_aeh_j_g:O-Sr-Ti +mp-680689,SrTi2O5,-8.5662520619,-3.2895119315,0.2445532844,0.2445532844,GGA,Cmm2,A5BC2_oC64_35_abc3de2f_abd_def:O-Sr-Ti,32.0,"Invalid WP multiplicities - A5BC2_oC64_35_ab2c6d2e7f_abd_def:O-Sr-Ti, expected Sr2Ti4O25 to be SrTi2O5" +mp-572124,SrTi2O5,-8.5918518828,-3.3151117524,0.2189534634,0.2189534634,GGA,Cmm2,A5BC2_oC64_35_2a2bc4def_f_ab2de:O-Sr-Ti,32.0,"Invalid WP multiplicities - A5BC2_oC64_35_2a2b2c2d7e2f_f_ab2d4e:O-Sr-Ti, expected Sr2Ti7O17 to be SrTi2O5" +mp-3349,Sr3Ti2O7,-8.11786136,-3.4940042457,0.0,-0.0028882033,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:O-Sr-Ti,12.0,"Invalid WP multiplicities - A7B3C2_tI24_139_a2e2g_b2e_e:O-Sr-Ti, expected Sr5Ti2O13 to be Sr3Ti2O7" +mp-1198567,Sr25Ti39O103,-8.6466148357,-3.4988875169,0.0414178539,0.0414178539,GGA,P2/m,A103B25C39_mP167_10_a2i3m6n20o_d2j2m4o_b2i3n7o:O-Sr-Ti,167.0,A103B25C39_mP167_10_a2i3m6n20o_c2k2m4o_b2i3n7o:O-Sr-Ti +mp-540640,Sr2Ti6O13,-8.9648945448,-3.4858996756,0.0,-0.0005146644,GGA,C2/m,A13B2C6_mC42_12_a6i_i_3i:O-Sr-Ti,21.0,A13B2C6_mC42_12_a6i_i_3i:O-Sr-Ti +mp-1202462,Sr5Ti8O21,-8.6612604744,-3.4997349939,0.0399029806,0.0399029806,GGA,P2/m,A21B5C8_mP136_10_abi3m3n17o_dej2m2n2o_2i7o:O-Sr-Ti,136.0,A21B5C8_mP136_10_abi3m3n17o_cfk2m2n2o_2i7o:O-Sr-Ti +mp-4651,SrTiO3,-8.438022916,-3.5530125953,0.0,-0.044049973,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:O-Sr-Ti,10.0,A3BC_tI20_140_ah_b_c:O-Sr-Ti +mp-551830,SrTiO3,-8.437440668,-3.5524303473,0.000582248,-0.043467725,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:O-Sr-Ti,10.0,"Invalid WP multiplicities - A3BC_tI20_140_2a2h_b_c:O-Sr-Ti, expected SrTiO6 to be SrTiO3" +mp-776018,SrTiO3,-8.3989204447,-3.5139101239,0.0391024713,-0.0049475017,GGA,P6_3/mmc,A3BC_hP30_194_hk_bf_af:O-Sr-Ti,30.0,"Invalid WP multiplicities - A3BC_hP30_194_4h5k_b2f_a2f:O-Sr-Ti, expected Sr5Ti5O42 to be SrTiO3" +mp-5229,SrTiO3,-8.437130902,-3.5521205813,0.000892014,-0.043157959,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Ti,5.0,A3BC_cP5_221_c_a_b:O-Sr-Ti +mp-1201432,Sr15Ti23O61,-8.6338386596,-3.495588866,0.0451749183,0.0451749183,GGA,P2/m,A61B15C23_mP198_10_ab2i3m3n26o_de2j2m2n4o_3i10o:O-Sr-Ti,198.0,A61B15C23_mP198_10_ab2i3m3n26o_cf2k2m2n4o_3i10o:O-Sr-Ti +mp-31213,Sr4Ti3O10,-8.2107723924,-3.5101055114,0.0012541312,0.0012541312,GGA,I4/mmm,A10B4C3_tI34_139_c2eg_2e_ae:O-Sr-Ti,17.0,"Invalid WP multiplicities - A10B4C3_tI34_139_c2e2g_2e_ae:O-Sr-Ti, expected Sr4Ti3O14 to be Sr4Ti3O10" +mp-5532,Sr2TiO4,-7.88231787,-3.4449987602,0.0,-0.0104626936,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Sr-Ti,7.0,A4B2C_tI14_139_ce_e_a:O-Sr-Ti +mp-1218387,Sr2TiRuO6,-7.89039721,-2.8674958369,0.004991431,0.004991431,GGA,P4/mmm,A6BC2D_tP10_123_efg_a_h_b:O-Ru-Sr-Ti,10.0,"Invalid WP multiplicities - A6BC2D_tP10_123_2e2fg_a_h_b:O-Ru-Sr-Ti, expected Sr2TiRuO10 to be Sr2TiRuO6" +mp-1220836,Pb3BrF5,-4.8105427222,-2.3385022358,0.123327255,0.123327255,GGA,Cm,AB5C3_mC18_8_a_5a_3a:Br-F-Pb,9.0,AB5C3_mC18_8_a_5a_3a:Br-F-Pb +mp-29927,Pb7(BrF6)2,-4.95894556,-2.481215381,0.0121253267,0.0121253267,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Br-F-Pb,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_2j2k_e2jk:Br-F-Pb, expected Pb5BrF6 to be Pb7(BrF6)2" +mp-554116,BaPb2BrF5,-5.2270944939,-2.9543509108,0.0013372822,0.0013372822,GGA,P4/nmm,ABC5D2_tP18_129_a_b_cj_2c:Ba-Br-F-Pb,18.0,"Invalid WP multiplicities - ABC5D2_tP18_129_a_b_2c2j_2c:Ba-Br-F-Pb, expected BaPb2BrF10 to be BaPb2BrF5" +mp-23008,PbBrF,-4.413057245,-2.0206724558,0.0,-0.0048071588,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-F-Pb,6.0,ABC_tP6_129_c_a_c:Br-F-Pb +mp-1210111,Pb2Br2F,-3.18479258,-0.6962266265,0.9209736228,0.9209736228,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-F-Pb,5.0,A2BC2_tP5_123_g_a_g:Br-F-Pb +mp-19799,BaPbF6,-5.1699090937,-3.0323471169,0.0,-0.0964327775,GGA,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Pb,8.0,AB6C_hR24_166_a_h_b:Ba-F-Pb +mp-559750,Lu3Fe5O12,-8.31759575,-2.5539346427,0.0602902082,0.0602902082,GGA+U,Ia-3d,A5B3C12_cI160_230_ad_c_h:Fe-Lu-O,80.0,"Invalid WP multiplicities - A5B3C12_cI160_230_6a6d_c_h:Fe-Lu-O, expected Lu(Fe5O2)2 to be Lu3Fe5O12" +mp-1193395,LuFeO3,-8.4687544163,-2.9025468436,0.0138013813,0.0138013813,GGA+U,P6_3cm,ABC3_hP30_185_c_ab_ab2c:Fe-Lu-O,30.0,ABC3_hP30_185_c_ab_ab2c:Fe-Lu-O +mp-1194793,Lu(FeO2)2,-8.3517639836,-2.4592285857,0.0486292051,0.0486292051,GGA+U,C2/m,A2BC4_mC84_12_2i2j_ij_4i4j:Fe-Lu-O,42.0,A2BC4_mC84_12_2i2j_ij_4i4j:Fe-Lu-O +mp-1196239,Lu(FeO2)2,-8.3568276052,-2.4642922074,0.0435655834,0.0435655834,GGA+U,C2/m,A2BC4_mC84_12_2i2j_ij_4i4j:Fe-Lu-O,42.0,A2BC4_mC84_12_2i2j_ij_4i4j:Fe-Lu-O +mp-19366,Lu(FeO2)2,-8.2974180829,-2.404882685,0.1029751058,0.1029751058,GGA+U,R-3m,A2BC4_hR21_166_c_a_2c:Fe-Lu-O,7.0,A2BC4_hR21_166_c_a_2c:Fe-Lu-O +mp-1222593,Lu3MnFe3O10,-8.5077134806,-2.7664300927000003,0.0608556903,0.0608556903,GGA+U,R3m,A3B3CD10_hR51_160_3a_3a_a_10a:Fe-Lu-Mn-O,17.0,A3B3CD10_hR51_160_3a_3a_a_10a:Fe-Lu-Mn-O +mp-1210936,Lu2Fe3O7,-8.3701308387,-2.613565368,0.0652427989,0.0652427989,GGA+U,P6_3/mmc,A3B2C7_hP24_194_bf_f_ce2f:Fe-Lu-O,24.0,A3B2C7_hP24_194_bf_f_ce2f:Fe-Lu-O +mp-1112085,K2TaAgBr6,-3.964612363,-1.3416822123,0.2003852503,0.2003852503,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Ta +mp-1110908,K2NdCuBr6,-3.859279834,-1.8186476364,0.097476447,0.097476447,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Nd,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Nd +mp-1112792,Cs2KAsBr6,-3.322432059,-1.6345828514,0.0,-0.0121149685,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-Cs-K +mp-1096484,CsK2As,-1.2609813925,0.6828482753,0.9733425514,0.9733425514,GGA,Immm,ABC2_oI8_71_a_b_e:As-Cs-K,4.0,ABC2_oI8_71_a_b_e:As-Cs-K +mp-1183938,CsK2As,-2.199772945,-0.2559432772,0.0345509989,0.0345509989,GGA,Fm-3m,ABC2_cF16_225_a_b_c:As-Cs-K,4.0,ABC2_cF16_225_a_b_c:As-Cs-K +mp-1112325,CsK2AsBr6,-3.218273219,-1.5089243539,0.1147586998,0.1147586998,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-Cs-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-Cs-K +mp-1246834,LiCoN,-6.16574562,-0.3811670911,0.0,-0.0794933763,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Li-N,12.0,ABC_oP12_62_c_c_c:Co-Li-N +mp-1246462,LiCoN,-5.9914009,-0.2068223711,0.17434472,0.0948513437,GGA,P-6m2,ABC_hP3_187_c_b_a:Co-Li-N,3.0,ABC_oC6_38_a_b_a:Co-Li-N +mp-1246061,Sr4CoN4,-5.7750713078,-0.5292633846,0.1543468963,0.1543468963,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Co-N-Sr,18.0,AB4C4_aP18_2_i_4i_4i:Co-N-Sr +mp-1030752,Sr8Co3N8,-6.0188061058,-0.6749713473000001,0.0,-0.0093025693,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Co-N-Sr,19.0,A3B8C8_mC38_12_ai_4i_4i:Co-N-Sr +mp-1247416,SrCo7N10,-7.4384495389,0.0511430871,0.2795451144,0.2795451144,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Co-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:Co-N-Sr +mp-1246511,Sr(CoN)2,-6.7451229040000005,-0.2292991253,0.211085246,0.211085246,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Co-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Co-N-Sr +mp-1029492,Li3CoN2,-5.311887616,-0.3938749085,0.0205523752,0.0205523752,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Co-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Co-Li-N +mp-1246907,Sr3(CoN2)2,-6.31070893,-0.4628094133,0.1380834485,0.1380834485,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Co-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Co-N-Sr +mp-1246557,Sr3(CoN2)2,-6.3344633608,-0.4865638442,0.1143290176,0.1143290176,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Co-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Co-N-Sr +mp-1246372,LiCo2N3,-6.9439143367,-0.0880737981,0.1800343867,0.1800343867,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Co-Li-N,12.0,A2BC3_oC24_36_b_a_ab:Co-Li-N +mp-569001,Sr2LiCoN2,-5.4898491117,-0.6449795419000001,0.0,-0.0513135815,GGA,P4_2/mnm,ABC2D2_tP12_136_a_b_f_d:Co-Li-N-Sr,12.0,ABC2D2_tP12_136_a_b_f_d:Co-Li-N-Sr +mp-1246638,Sr5(CoN3)2,-6.1613337269,-0.5703281572000001,0.0922987394,0.0922987394,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Co-N-Sr,26.0,A2B6C5_mC52_15_f_3f_e2f:Co-N-Sr +mp-1246731,Sr3CoN3,-5.9829858300000005,-0.6706596971000001,0.0070884502,0.0070884502,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Co-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Co-N-Sr +mp-1246027,Sr2CoN2,-5.9031322109,-0.4710733005,0.1701494794,0.1701494794,GGA,P2_1/m,AB2C2_mP80_11_4e2f_4e6f_a3e6f:Co-N-Sr,80.0,AB2C2_mP80_11_4e2f_4e6f_a3e6f:Co-N-Sr +mp-1246735,Sr2CoN2,-6.072320228,-0.6402613177,0.0009614622,0.0009614622,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Co-N-Sr,5.0,AB2C2_tI10_139_a_e_e:Co-N-Sr +mp-1195596,Sr5(CoN2)2,-5.7504146266,-0.6585889396,0.0,-0.0395900816,GGA,P4/ncc,A2B4C5_tP44_130_f_g_cg:Co-N-Sr,44.0,A2B4C5_tP44_130_f_g_cg:Co-N-Sr +mp-1247404,Sr7CoN6,-5.5125987239,-0.5873314726000001,0.0955659998,0.0955659998,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Co-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:Co-N-Sr +mp-1247212,Sr3Co3N5,-6.6562457982000005,-0.4675268555,0.078555023,0.078555023,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Co-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Co-N-Sr +mp-1247124,Li2CoN2,-5.745278618,-0.2254479423,0.175043271,0.175043271,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Co-Li-N,5.0,AB2C2_hP5_164_a_d_d:Co-Li-N +mp-1246343,SrCoN2,-6.8484292931,-0.4807290185,0.0697514456,0.0697514456,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Co-N-Sr,16.0,AB2C_mP16_14_e_2e_e:Co-N-Sr +mp-1206098,ZrMnF6,-7.31091036,-3.6635866441,0.0,-0.0489029809,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Mn-Zr,8.0,A6BC_cF32_225_e_a_b:F-Mn-Zr +mp-557434,ZrMnTlF7,-6.696336011,-3.3510648269,0.0,-0.0138145921,GGA+U,Cmcm,A7BCD_oC40_63_cf2g_c_a_c:F-Mn-Tl-Zr,20.0,"Invalid WP multiplicities - A7BCD_oC40_63_2c3f5g_c_a_c:F-Mn-Tl-Zr, expected ZrMnTlF18 to be ZrMnTlF7" +mp-1205586,Zr3MnF6,-7.047544962,-2.4201458633,0.6098379439,0.6098379439,GGA+U,P-1,A6BC3_aP10_2_3i_b_ade:F-Mn-Zr,10.0,A6BC3_aP10_2_3i_b_ade:F-Mn-Zr +mp-1237280,Zr3MnF6,-6.960156114,-2.3327570153,0.6972267919,0.6972267919,GGA+U,P-1,A6BC3_aP10_2_3i_b_ade:F-Mn-Zr,10.0,A6BC3_aP10_2_3i_b_ade:F-Mn-Zr +mp-1220774,Na5SrTaP4,-4.41147799,-0.6102863921,0.0,-0.03107581,GGA,Cc,A5B4CD_mC44_9_5a_4a_a_a:Na-P-Sr-Ta,22.0,"Invalid WP multiplicities - A5B4CD_mC44_9_10a_7a_a_a:Na-P-Sr-Ta, expected Na10SrTaP7 to be Na5SrTaP4" +mp-1194965,Li2Th(AsO4)2,-7.1696975577,-2.5448167513,0.0,-0.00774726,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:As-Li-O-Th,52.0,A2B2C8D_mP52_14_2e_2e_8e_e:As-Li-O-Th +mp-1096508,K2HgAu,-1.1843572925,0.2652327722,0.5325047125,0.5325047125,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-K,4.0,ABC2_oI8_71_a_b_e:Au-Hg-K +mp-1184758,K2HgAu,-1.693834115,-0.2442440503,0.02302789,0.02302789,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-K,4.0,ABC2_cF16_225_a_b_c:Au-Hg-K +mp-1111992,K2HgAuBr6,-2.712423372,-1.2007703481,0.0762013222,0.0762013222,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Br-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Br-Hg-K +mp-38108,Ba3Pt2O7,-6.4072186569,-2.0300509536,0.0036642635,0.0036642635,GGA,Cc,A3B7C2_mC96_9_6a_14a_4a:Ba-O-Pt,48.0,"Invalid WP multiplicities - A3B7C2_mC96_9_11a_27a_7a:Ba-O-Pt, expected Ba11Pt7O27 to be Ba3Pt2O7" +mp-8727,Ba4PtO6,-6.4163240259,-2.4683999034,0.0,-0.0179375311,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ba-O-Pt,22.0,A4B6C_hR66_167_ae_f_b:Ba-O-Pt +mp-29787,Ba5Pt2O9,-6.4513649254,-2.3102811916,0.0,-0.0339860744,GGA,P321,A5B9C2_hP48_150_adefg_f4g_c2d:Ba-O-Pt,48.0,A5B9C2_hP48_150_adefg_f4g_c2d:Ba-O-Pt +mp-1214338,BaPt3O4,-6.2167488831,-1.226857665,0.1278785268,0.1278785268,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Ba-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Ba-O-Pt +mp-734295,BaPtO7,-5.3653128722,-0.6300985124,0.4076017096,0.4076017096,GGA,P2_1/m,AB7C_mP18_11_e_3e2f_e:Ba-O-Pt,18.0,AB7C_mP18_11_e_3e2f_e:Ba-O-Pt +mp-757840,Ba4(PtO3)3,-6.4765038556,-2.075910223,0.0,-0.0647692856,GGA,P1,A4B9C3_aP48_1_12a_27a_9a:Ba-O-Pt,48.0,A4B9C3_aP48_1_12a_27a_9a:Ba-O-Pt +mp-860960,Ba4(PtO3)3,-6.474495669,-2.0739020364,0.0020081867,-0.062761099,GGA,P1,A4B9C3_aP48_1_12a_27a_9a:Ba-O-Pt,48.0,A4B9C3_aP48_1_12a_27a_9a:Ba-O-Pt +mp-1214788,BaPtO3,-6.3737822751,-1.8077473964,0.0047150411,0.0047150411,GGA,P6_3/mmc,AB3C_hP70_194_ce2f_h3k_ae2f:Ba-O-Pt,70.0,AB3C_hP70_194_ce2f_h3k_ae2f:Ba-O-Pt +mp-1183290,BaPtO3,-6.279181574,-1.7131466952,0.0993157423,0.0993157423,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Pt,5.0,AB3C_cP5_221_a_c_b:Ba-O-Pt +mp-19750,BaGd2PtO5,-9.7782934317,-3.0143160654,0.0167213065,0.0167213065,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Gd-O-Pt,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-Gd-O-Pt +mp-1113046,Cs2KInBr6,-3.298167038,-1.8010612979,0.0,-0.0060990877,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-K,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-K +mp-21879,Ba2CePtO6,-7.353921987,-2.8016915247,0.0,-0.0886710937,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pt,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pt +mp-1018647,YbNiH3,-4.168544132,-0.668959513,0.0,-0.1861654035,GGA,Pm-3m,A3BC_cP5_221_c_b_a:H-Ni-Yb,,A3BC_cP5_221_c_b_a:H-Ni-Yb +mp-1180401,Mg2NiH4,-3.4628781186,-0.2412208386,0.1007508539,0.0385649871,GGA,C2/m,A4B2C_mC28_12_g3i_j_ad:H-Mg-Ni,14.0,A4B2C_mC28_12_g3i_j_ac:H-Mg-Ni +mp-697331,Mg2NiH4,-3.5636289725,-0.3419716925,0.0,-0.0621858668,GGA,C2/c,A4B2C_mC56_15_4f_2ef_f:H-Mg-Ni,28.0,A4B2C_mC56_15_4f_2ef_f:H-Mg-Ni +mp-1222151,Mg2NiH4,-3.5257362071,-0.3040789271,0.0378927654,-0.0242931014,GGA,Imm2,A4B2C_oI14_44_cd_c_a:H-Mg-Ni,7.0,"Invalid WP multiplicities - A4B2C_oI14_44_2cd_c_a:H-Mg-Ni, expected Mg2NiH6 to be Mg2NiH4" +mp-1185821,Mg2NiH4,-3.559158887,-0.337501607,0.0044700855,-0.0577157812,GGA,Pccn,A4B2C_oP56_56_4e_cde_e:H-Mg-Ni,56.0,"Invalid WP multiplicities - A4B2C_oP56_56_12e_2c4d3e_e:H-Mg-Ni, expected Mg6NiH12 to be Mg2NiH4" +mp-1078818,Mg2NiH2,-3.338902585,-0.185672811,0.1056554661,0.1056554661,GGA,P4_2/mnm,A2B2C_tP10_136_f_d_a:H-Mg-Ni,10.0,A2B2C_tP10_136_f_d_a:H-Mg-Ni +mp-1017629,MgNiH3,-3.771069216,-0.259350243,0.0049850633,0.0049850633,GGA,Pm-3m,A3BC_cP5_221_c_a_b:H-Mg-Ni,5.0,A3BC_cP5_221_c_a_b:H-Mg-Ni +mp-643246,YbMgNiH4,-3.7524310089,-0.5394411246,0.0028873701,0.0028873701,GGA,P2_13,A4BCD_cP28_198_ab_a_a_a:H-Mg-Ni-Yb,,A4BCD_cP28_198_ab_a_a_a:H-Mg-Ni-Yb +mp-1017509,MgNiH2,-3.8102854075,-0.2688182025,0.0304070284,0.0304070284,GGA,P4/mmm,A2BC_tP4_123_e_a_d:H-Mg-Ni,4.0,A2BC_tP4_123_e_a_d:H-Mg-Ni +mp-1008881,MgNiH,-3.8400968933,-0.2490493017,0.0383795992,0.0383795992,GGA,P4/mmm,ABC_tP3_123_a_c_b:H-Mg-Ni,3.0,ABC_tP3_123_a_c_b:H-Mg-Ni +mp-1220070,Pr2Fe20Si2C,-8.045286306,-0.0836248155,0.0726148316,0.0726148316,GGA,P-1,AB20C2D2_aP25_2_d_ae9i_i_bg:C-Fe-Pr-Si,25.0,"Invalid WP multiplicities - AB20C2D2_aP25_2_d_ae17i_i_bg:C-Fe-Pr-Si, expected Pr2Fe36Si2C to be Pr2Fe20Si2C" +mp-978091,Pr2Fe17C3,-8.2524707505,-0.0143721797,0.0175643934,0.0175643934,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Pr,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Pr +mp-1200780,Pr2Fe14C,-8.0786071044,0.0020266569,0.0158032178,0.0158032178,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Pr,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Pr +mp-1025194,Pr2Fe2Si2C,-7.2124495229,-0.5579987396,0.0,-0.0967679207,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Pr-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Pr-Si +mp-1214423,Ca3Lu2(GeO4)3,-7.5538616274,-3.1394591884,0.0,-0.0326049836,GGA,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Lu-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Lu-O +mp-1227583,CaLu2(GeO3)4,-7.5276740913,-2.8487332032,0.0016065666,0.0016065666,GGA,Cmme,AB4C2D12_oC76_67_c_o_ae_mn2o:Ca-Ge-Lu-O,38.0,"Invalid WP multiplicities - AB4C2D12_oC76_67_c_o_ae_3m2n9o:Ca-Ge-Lu-O, expected CaLu2(Ge2O23)2 to be CaLu2(GeO3)4" +mp-504539,CaLu2O4,-8.2579574661,-3.8530637854,0.0380104548,0.0380104548,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Lu-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Lu-O +mp-1220276,Nd3Bi(Ru2O7)2,-7.9391869659,-2.280269532,0.0,-0.0033149611,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Bi-Nd-O-Ru,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c4h_be:Bi-Nd-O-Ru, expected Nd3Bi(Ru2O13)2 to be Nd3Bi(Ru2O7)2" +mp-1220207,NdBi3(Ru2O7)2,-7.37364786,-1.7990629991,0.0033129268,0.0033129268,GGA,R-3m,A3BC14D4_hR66_166_d_a_c2h_be:Bi-Nd-O-Ru,22.0,"Invalid WP multiplicities - A3BC14D4_hR66_166_d_a_c4h_be:Bi-Nd-O-Ru, expected NdBi3(Ru2O13)2 to be NdBi3(Ru2O7)2" +mp-1220214,NdBiRu2O7,-7.6556722073,-2.0389210599,0.0024016691,0.0024016691,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Bi-Nd-O-Ru,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e4j_bd:Bi-Nd-O-Ru, expected NdBiRu2O21 to be NdBiRu2O7" +mp-8695,MnPSe3,-5.553324787,-0.5407143407,0.0,-0.0473339985,GGA,R-3,ABC3_hR30_148_c_c_f:Mn-P-Se,10.0,ABC3_hR30_148_c_c_f:Mn-P-Se +mp-863753,Cs2Mn(PSe3)2,-4.7470646259,-0.8602560881,0.0,-0.0189081948,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:Cs-Mn-P-Se,22.0,A2BC2D6_mP22_14_e_a_e_3e:Cs-Mn-P-Se +mp-11181,Cs(MnP)2,-6.4872638160000005,-0.4780562221,0.0150077924,0.0150077924,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cs-Mn-P,5.0,AB2C2_tI10_139_a_d_e:Cs-Mn-P +mp-1077378,CsMnP,-5.5304544883,-0.3735477647,0.037338914,0.037338914,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cs-Mn-P,6.0,ABC_tP6_129_c_a_c:Cs-Mn-P +mp-1038548,HfMg30NbO32,-6.4636745187,-2.9267849198,0.1248462625,0.1248462625,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Hf-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Hf-Mg-Nb-O, expected HfMg90NbO80 to be HfMg30NbO32" +mp-1038545,HfMg30NbO32,-6.4555951445,-2.9187055456,0.1329256368,0.1329256368,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Hf-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Hf-Mg-Nb-O, expected HfMg110NbO72 to be HfMg30NbO32" +mp-1033870,HfMg14NbO16,-6.6051069062,-2.8048120891,0.2444099763,0.2444099763,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Hf-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Hf-Mg-Nb-O, expected HfMg18NbO20 to be HfMg14NbO16" +mp-1033815,HfMg14NbO16,-6.5910515591,-2.7907567419,0.2584653235,0.2584653235,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Hf-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Hf-Mg-Nb-O, expected HfMg30NbO32 to be HfMg14NbO16" +mp-850283,HfNbO4,-9.9777176483,-3.3368428292,0.1227249842,0.1227249842,GGA,C2/c,ABC4_mC24_15_e_e_2f:Hf-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_e_3f:Hf-Nb-O, expected HfNbO6 to be HfNbO4" +mp-1026501,HfMg14Nb,-2.5623215094000003,0.0915794138,0.1087339054,0.1087339054,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Nb, expected HfMg18Nb to be HfMg14Nb" +mp-1026524,HfMg14Nb,-2.5139941069,0.1399068163,0.1570613079,0.1570613079,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Nb, expected HfMg26Nb to be HfMg14Nb" +mp-1016597,HfMg6Nb,-3.4930419287,0.2144798675,0.2291837175,0.2291837175,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Nb, expected HfMg12Nb to be HfMg6Nb" +mp-1016605,HfMg6Nb,-3.5561588506,0.1513629456,0.1660667956,0.1660667956,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Nb, expected HfMg12Nb to be HfMg6Nb" +mp-1033375,HfMg6NbO8,-6.8993736862,-2.5722684325,0.4721353989,0.4721353989,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Hf-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Hf-Mg-Nb-O, expected HfMg6NbO12 to be HfMg6NbO8" +mp-1033389,HfMg6NbO8,-6.9955032825,-2.6683980287,0.3760058027,0.3760058027,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Hf-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Hf-Mg-Nb-O, expected HfMg6NbO12 to be HfMg6NbO8" +mp-1110812,Na3ScI6,-3.264016732,-1.3499924235,0.1455577685,0.1455577685,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Na-Sc,10.0,A6B3C_cF40_225_e_ac_b:I-Na-Sc +mp-1114154,Rb3ScI6,-3.419909115,-1.6084821728,0.0287941965,0.0287941965,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Rb-Sc,10.0,A6B3C_cF40_225_e_ac_b:I-Rb-Sc +mp-1114119,Rb2NaScI6,-3.439522203,-1.5938961387,0.0,-0.0038618285,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Sc +mp-21552,Na2GaCuF7,-4.7890516932,-2.6842602339,0.0080745077,0.0080745077,GGA,C2/c,AB7CD2_mC88_15_ac_7f_de_bef:Cu-F-Ga-Na,44.0,"Invalid WP multiplicities - AB7CD2_mC88_15_ac_25f_de_2b2e3f:Cu-F-Ga-Na, expected Na5GaCuF25 to be Na2GaCuF7" +mp-1111277,Na2GaCuF6,-4.659756862,-2.5356341536,0.150631905,0.150631905,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Na +mp-1113862,Rb2TlIrF6,-4.774474845,-2.3113729173,0.0460764422,0.0460764422,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-Rb-Tl +mp-1227383,Ca2AlZn16,-1.6576107458,-0.1885226747,0.0,-0.0022040501,GGA,R3m,AB2C16_hR57_160_a_2a_a3bc:Al-Ca-Zn,19.0,AB2C16_hR57_160_a_2a_a3bc:Al-Ca-Zn +mp-1214214,Ca14Al12Zn4O35,-7.0341216729,-3.1695310943,0.052972983,0.052972983,GGA,F23,A12B14C35D4_cF260_196_abeg_2ef_cef2h_e:Al-Ca-O-Zn,65.0,A12B14C35D4_cF260_196_abeg_2ef_cef2h_e:Al-Ca-O-Zn +mp-557955,Ca3Al4ZnO10,-7.2465748801,-3.2618118978,0.0041869033,0.0041869033,GGA,Pca2_1,A4B3C10D_oP72_29_4a_3a_10a_a:Al-Ca-O-Zn,72.0,"Invalid WP multiplicities - A4B3C10D_oP72_29_15a_10a_37a_a:Al-Ca-O-Zn, expected Ca10Al15ZnO37 to be Ca3Al4ZnO10" +mp-1227673,Ca4AlZn43,-1.537509725,-0.1638232546,0.0010466712,0.0010466712,GGA,C222,AB4C43_oC96_21_a_bdk_ck10l:Al-Ca-Zn,48.0,"Invalid WP multiplicities - AB4C43_oC96_21_a_bdk_ck40l:Al-Ca-Zn, expected Ca4AlZn163 to be Ca4AlZn43" +mp-1093539,Ca2AlZn,-0.8106027275000001,1.4435270725,1.699665855,1.699665855,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ca-Zn,4.0,AB2C_oI8_71_a_e_b:Al-Ca-Zn +mp-30175,Ca(AlZn)2,-2.692716828,-0.289469076,0.0,-0.0501894225,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ca-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-Ca-Zn +mp-1087477,La2TcNiO6,-8.22445157,-2.6551593597,0.0913020344,0.0913020344,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Tc,10.0,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Tc +mp-1225513,ErTiFe11C,-8.3073278329,-0.1028914308,0.0411361374,0.0411361374,GGA,Imm2,ABC11D_oI28_44_b_a_a2b2ce_a:C-Er-Fe-Ti,14.0,ABC11D_oI28_44_b_a_a2b2ce_a:C-Er-Fe-Ti +mp-985586,Na3BrO,-3.737887096,-1.6444285117000002,0.0,-0.01338342,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Br-Na-O,5.0,AB3C_cP5_221_a_c_b:Br-Na-O +mp-28599,Na4Br2O,-3.6194883057,-1.7133673707,0.0002612457,0.0002612457,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Br-Na-O,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2c2e_a:Br-Na-O, expected Na8Br2O to be Na4Br2O" +mp-1180213,NaBrO3,-3.863560895,-0.3204369436,0.700010647,0.4342146078,GGA,P1,ABC3_aP20_1_4a_4a_12a:Br-Na-O,20.0,ABC3_aP20_1_4a_4a_12a:Br-Na-O +mp-608595,NaBrO3,-4.0650980855,-0.5219741341,0.4984734565,0.2326774173,GGA,P2_1,ABC3_mP20_4_2a_2a_6a:Br-Na-O,20.0,ABC3_aP20_1_4a_4a_12a:Br-Na-O +mp-1413617,NaBrO3,-3.9543999575,-0.4112760061,0.6091715845,0.3433755453,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:Br-Na-O,20.0,"Invalid WP multiplicities - ABC3_oP20_19_a_a_6a:Br-Na-O, expected NaBrO6 to be NaBrO3" +mp-23339,NaBrO3,-4.563571542,-1.0204475906,0.0,-0.2657960392,GGA,P2_13,ABC3_cP20_198_a_a_b:Br-Na-O,20.0,ABC3_cP20_198_a_a_b:Br-Na-O +mp-1189541,NaBrO3,-4.431377761,-0.8882538096,0.132193781,-0.1336022582,GGA,P2_13,ABC3_cP20_198_a_a_b:Br-Na-O,20.0,ABC3_cP20_198_a_a_b:Br-Na-O +mp-8086,Na2Zn2O3,-4.5655010764,-1.7077005135,0.0037112686,-0.0135805521,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Na-O-Zn,14.0,"Invalid WP multiplicities - A2B3C2_mP14_14_e_2a2e_e:Na-O-Zn, expected NaZnO3 to be Na2Zn2O3" +mp-554845,Na2Zn2O3,-4.569212345,-1.7114117821,0.0,-0.0172918207,GGA,P4_32_12,A2B3C2_tP28_96_b_ab_b:Na-O-Zn,28.0,"Invalid WP multiplicities - A2B3C2_tP28_96_b_4a3b_b:Na-O-Zn, expected NaZnO5 to be Na2Zn2O3" +mp-734013,NaBrO2,-4.0754405781,-0.8832078166,0.2816033219,0.2816033219,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Br-Na-O,16.0,ABC2_mP16_14_e_e_2e:Br-Na-O +mp-1180168,NaBrO2,-4.112094245,-0.9198614835,0.244949655,0.244949655,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Br-Na-O,16.0,ABC2_mP16_14_e_e_2e:Br-Na-O +mp-1147647,NaBrO2,-3.909584365,-0.7173516035,0.447459535,0.447459535,GGA,P4/mmm,ABC2_tP4_123_b_c_e:Br-Na-O,4.0,ABC2_tP4_123_b_c_e:Br-Na-O +mp-36165,Na10Zn4O9,-4.3638502798,-1.6340926374,0.0,-0.0035725362,GGA,C2,A10B9C4_mC92_5_2a2b8c_9c_4c:Na-O-Zn,46.0,"Invalid WP multiplicities - A10B9C4_mC92_5_2a2b16c_15c_7c:Na-O-Zn, expected Na18Zn7O15 to be Na10Zn4O9" +mp-1198802,Zn(BrO6)2,-3.9011828273,0.347221493,0.6637681258,0.6637681258,GGA,Pa-3,A2B12C_cP60_205_c_2d_a:Br-O-Zn,60.0,A2B12C_cP60_205_c_2d_a:Br-O-Zn +mp-1180211,NaZnO3,-4.4040776362,-0.9196106288,0.3454508338,0.3454508338,GGA,P4_2/mbc,AB3C_tP40_135_h_3h_h:Na-O-Zn,40.0,AB3C_tP40_135_h_3h_h:Na-O-Zn +mp-1186198,NaZnO3,-4.338006124,-0.8535391166,0.411522346,0.411522346,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Zn,5.0,AB3C_cP5_221_a_c_b:Na-O-Zn +mp-7664,Na6ZnO4,-4.1868354905,-1.5521400163,0.0,-0.0111789728,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Na-O-Zn,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_3c_b2c_b:Na-O-Zn, expected Na9ZnO7 to be Na6ZnO4" +mp-1079170,NaZnBr3O5,-3.128607262,0.068872483,1.0150469743,1.0150469743,GGA,R3,A3BC5D_hR30_146_b_a_2ab_a:Br-Na-O-Zn,10.0,A3BC5D_hR30_146_b_a_2ab_a:Br-Na-O-Zn +mp-29488,Na2ZnO2,-4.414788166,-1.6551538421,0.0,-0.003020071,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Na-O-Zn,20.0,A2B2C_mP20_14_2e_2e_e:Na-O-Zn +mp-28830,Na2ZnBr4,-3.1055728579,-1.6603003554,0.0,-0.0149675067,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:Br-Na-Zn,28.0,A4B2C_oP28_62_2cd_ac_c:Br-Na-Zn +mp-1229110,AlBi3Sb2O11,-6.6450542941,-2.0604294986,0.0047940545,0.0047940545,GGA,Pc,AB3C11D2_mP68_7_2a_6a_22a_4a:Al-Bi-O-Sb,68.0,"Invalid WP multiplicities - AB3C11D2_mP68_7_4a_10a_43a_8a:Al-Bi-O-Sb, expected Al4Bi10Sb8O43 to be AlBi3Sb2O11" +mp-1187101,Sr2ZnPt,-3.1270334825,-0.4495675233,0.1091811694,0.1091811694,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Sr-Zn,4.0,AB2C_cF16_225_a_c_b:Pt-Sr-Zn +mp-6730,Sr3ZnPtO6,-6.2139413827,-2.3885332411,0.0,-0.029198647,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:O-Pt-Sr-Zn,22.0,A6BC3D_hR66_167_f_b_e_a:O-Pt-Sr-Zn +mp-755236,HoTiO3,-9.1030265655,-3.6394331614,0.0583830685,0.0583830685,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ho-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Ho-O-Ti, expected HoTiO7 to be HoTiO3" +mp-530953,Ho2TiO5,-8.998238518800001,-3.7740193546,0.1211028263,0.0955872332,GGA,Cm,A2B5C_mC128_8_10a3b_16a12b_2a3b:Ho-O-Ti,64.0,"Invalid WP multiplicities - A2B5C_mC128_8_10a6b_16a23b_2a3b:Ho-O-Ti, expected Ho11Ti4O31 to be Ho2TiO5" +mp-754044,Ho2TiO5,-9.0242103781,-3.799991214,0.0951309669,0.0696153738,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Ho-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e5f_c:Ho-O-Ti, expected Ho2TiO12 to be Ho2TiO5" +mp-768605,Ho2TiO5,-9.119341345,-3.8951221809,0.0,-0.025515593,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Ho-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Ho-O-Ti, expected Ho5TiO17 to be Ho2TiO5" +mp-850864,Ho2TiO5,-9.0750131866,-3.8507940224,0.0443281584,0.0188125654,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Ho-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Ho-O-Ti, expected Ho5TiO17 to be Ho2TiO5" +mp-752724,Ho2TiO5,-9.0375160813,-3.8132969171,0.0818252637,0.0563096707,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Ho-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Ho-O-Ti, expected Ho2TiO9 to be Ho2TiO5" +mp-850779,HoTa7O19,-10.1442821913,-3.4193215323,0.0070901644,0.0070901644,GGA,P-6c2,AB19C7_hP54_188_a_ghk2l_cl:Ho-O-Ta,54.0,"Invalid WP multiplicities - AB19C7_hP54_188_a_gh6k10l_c2l:Ho-O-Ta, expected HoTa13O82 to be HoTa7O19" +mp-768585,HoTa3O9,-10.0350995769,-3.5215657184,0.0016946981,0.0016946981,GGA,P2_1/m,AB9C3_mP26_11_e_3e3f_af:Ho-O-Ta,26.0,"Invalid WP multiplicities - AB9C3_mP26_11_e_5e6f_af:Ho-O-Ta, expected HoTa3O17 to be HoTa3O9" +mp-779846,HoTa3O9,-10.0104014162,-3.4968675576,0.0263928588,0.0263928588,GGA,Pnma,AB9C3_oP52_62_c_3c3d_ad:Ho-O-Ta,52.0,"Invalid WP multiplicities - AB9C3_oP52_62_c_12c9d_2a2d:Ho-O-Ta, expected HoTa6O30 to be HoTa3O9" +mp-5985,HoTaO4,-9.7789935933,-3.7411700358,0.0,-0.0568150194,GGA,P2/c,AB4C_mP12_13_e_2g_f:Ho-O-Ta,12.0,AB4C_mP12_13_e_2g_f:Ho-O-Ta +mp-4344,HoTaO4,-9.7746077617,-3.7367842042,0.0043858317,-0.0524291877,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ho-O-Ta,12.0,AB4C_mC24_15_e_2f_e:Ho-O-Ta +mp-34380,HoTaO4,-9.528219935,-3.4903963775,0.2507736583,0.193958639,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ho-O-Ta,6.0,AB4C_tP6_123_a_i_d:Ho-O-Ta +mp-676804,Ho3TaO7,-9.2226658095,-3.7470453351,0.1296970336,0.1274251658,GGA,Pc,A3B7C_mP22_7_3a_7a_a:Ho-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_mP22_7_3a_14a_a:Ho-O-Ta, expected Ho3TaO14 to be Ho3TaO7" +mp-31416,Ho3TaO7,-9.3523628432,-3.8767423688,0.0,-0.0022718678,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Ho-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_ac_3b3c_a:Ho-O-Ta, expected Ho3TaO9 to be Ho3TaO7" +mp-1173021,Ho3TaO7,-9.1054438823,-3.6298234078,0.2469189609,0.2446470931,GGA,Cmme,A3B7C_oC44_67_cn_gno_a:Ho-O-Ta,22.0,"Invalid WP multiplicities - A3B7C_oC44_67_cn_2g3n4o_a:Ho-O-Ta, expected Ho3TaO24 to be Ho3TaO7" +mp-768695,Ho2Ti2O7,-9.211288442,-3.7946863737,0.0,-0.0066467193,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Ho-O-Ti,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Ho-O-Ti, expected Ho7Ti7O27 to be Ho2Ti2O7" +mp-33948,Ho2Ti2O7,-9.1936468832,-3.7770448148,0.0176415589,0.0109948395,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Ti,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ho-O-Ti, expected HoTiO10 to be Ho2Ti2O7" +mp-1224209,HoTaTiO6,-9.6606559464,-3.6588991926,0.0027095814,0.0027095814,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Ho-O-Ta-Ti,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_24e_e_e:Ho-O-Ta-Ti, expected HoTaTiO24 to be HoTaTiO6" +mp-37024,Ho10Ti6O27,-9.0509788147,-3.7775454192,0.0918838808,0.0918838808,GGA,Cm,A10B27C6_mC86_8_6a2b_11a8b_2a2b:Ho-O-Ti,43.0,"Invalid WP multiplicities - A10B27C6_mC86_8_6a4b_11a16b_2a2b:Ho-O-Ti, expected Ho14Ti6O43 to be Ho10Ti6O27" +mp-38819,Ho10Ti6O27,-8.9230033602,-3.6495699648,0.2198593352,0.2198593352,GGA,Cm,A10B27C6_mC86_8_4a3b_11a8b_4ab:Ho-O-Ti,43.0,"Invalid WP multiplicities - A10B27C6_mC86_8_4a6b_11a16b_4a2b:Ho-O-Ti, expected Ho16Ti8O43 to be Ho10Ti6O27" +mp-530797,Ho10Ti6O27,-8.9980672628,-3.7246338674,0.1447954326,0.1447954326,GGA,Cm,A10B27C6_mC172_8_10a5b_22a16b_6a3b:Ho-O-Ti,86.0,"Invalid WP multiplicities - A10B27C6_mC172_8_10a10b_22a32b_6a5b:Ho-O-Ti, expected Ho15Ti8O43 to be Ho10Ti6O27" +mp-1178188,Ho5Ti5O17,-9.1264293404,-3.7011251728,0.0779048324,0.0779048324,GGA,Pmn2_1,A5B17C5_oP54_31_5a_17a_5a:Ho-O-Ti,54.0,A5B17C5_oP54_31_10a_34a_10a:Ho-O-Ti +mp-1199544,Er5(Co2Si7)2,-6.1464257613,-0.614846733,0.0,-0.0230481961,GGA,P2_1/c,A4B5C14_mP46_14_2e_a2e_7e:Co-Er-Si,46.0,A4B5C14_mP46_14_2e_a2e_7e:Co-Er-Si +mp-1102621,ErCoSi,-6.4244755942000005,-0.7240240492000001,0.0,-0.0293744267,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Er-Si,12.0,ABC_oP12_62_c_c_c:Co-Er-Si +mp-21951,Er3Co29(Si2B5)2,-7.121509428,-0.4184754647,0.0,-0.0193409928,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Er-Si,92.0,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Er-Si +mp-1213148,ErCo9Si4,-6.91225804,-0.4662686768,0.0225012457,0.0225012457,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Co-Er-Si,28.0,A9BC4_tI56_140_dkl_a_l:Co-Er-Si +mp-1191958,ErCo9Si2,-6.9266642042,-0.3105629521,0.0428839612,0.0428839612,GGA,I4_1/amd,A9BC2_tI48_141_ai_b_c:Co-Er-Si,24.0,A9BC2_tI48_141_ai_b_c:Co-Er-Si +mp-568196,Er3CoSi3,-6.0659516143,-0.7677475693,0.0,-0.0044868957,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Co-Er-Si,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_5i_4i:Co-Er-Si, expected Er5CoSi4 to be Er3CoSi3" +mp-1190062,Er2Co3Si5,-6.491370187,-0.7326720715,0.0,-0.021507777,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Co-Er-Si,20.0,A3B2C5_oI40_72_aj_j_bfj:Co-Er-Si +mp-1198238,ErCo5Si3,-6.8618304413,-0.5968013441000001,0.0189843156,0.0189843156,GGA,P6_3/m,A5BC3_hP54_176_5h_h_3h:Co-Er-Si,54.0,A5BC3_hP54_176_5h_h_3h:Co-Er-Si +mp-1213244,Er5Si3B,-5.61307266,-0.5248571144,0.1584988187,0.1584988187,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Er-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Er-Si +mp-3128,ErCoSi2,-6.3752636375,-0.7435954712,0.0,-0.0015357158,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Er-Si,8.0,ABC2_oC16_63_c_c_2c:Co-Er-Si +mp-3239,Er(CoSi)2,-6.733366208,-0.806368116,0.0,-0.0847936315,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Er-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Er-Si +mp-568728,Er2CoSi2,-6.171843968,-0.7529656730000001,0.0016648402,0.0016648402,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Er-Si,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_2i:Co-Er-Si, expected Er4CoSi2 to be Er2CoSi2" +mp-1205515,ErCoSi3,-6.192066639,-0.6016684999999999,0.0134814365,0.0134814365,GGA,Cmmm,ABC3_oC20_65_g_h_2gh:Co-Er-Si,10.0,ABC3_oC20_65_g_h_2gh:Co-Er-Si +mp-1212859,Er3Co2Si3,-6.2634033606,-0.7389350969,0.0042179923,0.0042179923,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Er-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Er-Si +mp-1103425,ErCo3Si2,-6.8307785358,-0.7068938267,0.0,-0.0349203967,GGA,Imma,A3BC2_oI24_74_ag_e_i:Co-Er-Si,12.0,A3BC2_oI24_74_ag_e_i:Co-Er-Si +mp-1247743,TiCrS4,-6.8867890042,-1.2043991785,0.0603968442,0.0603968442,GGA,Imma,AB4C_oI24_74_a_hi_c:Cr-S-Ti,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2hi_c:Cr-S-Ti, expected TiCrS6 to be TiCrS4" +mp-676144,Ti(CrS2)2,-7.1950602943,-0.9454336623,0.2621238586,0.2559098907,GGA,P1,A2B4C_aP7_1_2a_4a_a:Cr-S-Ti,7.0,"Invalid WP multiplicities - A2B4C_mC14_8_b_2a2b_a:Cr-S-Ti, expected Ti(CrS3)2 to be Ti(CrS2)2" +mp-1217360,Ti(CrS2)2,-7.4571841529,-1.2075575208,0.0,-0.0062139679,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Cr-S-Ti,7.0,A2B4C_mC14_8_2a_4a_a:Cr-S-Ti +mp-1078058,Ti(CrS2)2,-7.4500012671,-1.2003746351,0.0071828857,0.0009689179,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Cr-S-Ti,7.0,A2B4C_mC14_12_i_2i_a:Cr-S-Ti +mp-1247026,Mg2TiCr3S8,-6.5058626314,-1.2810916699,0.0476294904,0.0476294904,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-Ti, expected Mg2TiCr3S16 to be Mg2TiCr3S8" +mp-1026460,Mg14TiCr,-2.3861512031,0.1108775585,0.1386837953,0.1386837953,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Ti, expected Mg18TiCr to be Mg14TiCr" +mp-1026434,Mg14TiCr,-2.3777217444,0.1193070173,0.147113254,0.147113254,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Ti, expected Mg26TiCr to be Mg14TiCr" +mp-1247182,MgTiCrS4,-6.4919954671,-1.3927641808,0.0592035529,0.0592035529,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Cr-Mg-S-Ti, expected MgTiCrS12 to be MgTiCrS4" +mp-1216903,TiCrS2,-7.6558306875,-1.2004708824,0.0772166342,0.0772166342,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cr-S-Ti,4.0,AB2C_hP4_164_a_d_b:Cr-S-Ti +mp-1247036,Mg2Ti3CrS8,-6.4764878864,-1.5027962754000002,0.0724180318,0.0724180318,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Cr-Mg-S-Ti, expected Mg2Ti3CrS22 to be Mg2Ti3CrS8" +mp-1021349,Mg6TiCr,-3.1868563131,0.2069211602,0.2420178984,0.2420178984,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Ti, expected Mg12TiCr to be Mg6TiCr" +mp-1021354,Mg6TiCr,-3.1687583225,0.2250191508,0.260115889,0.260115889,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Ti,8.0,AB6C_oC16_38_a_2bde_a:Cr-Mg-Ti +mp-1179696,RuF3,-5.383022825,-1.6308129644,0.259604985,0.2295388644,GGA,C2/c,A3B_mC16_15_ef_a:F-Ru,8.0,"Invalid WP multiplicities - A3B_mC16_15_2e3f_c:F-Ru, expected RuF8 to be RuF3" +mp-7570,RuF3,-5.6426278100000005,-1.8904179494,0.0,-0.0300661206,GGA,R-3c,A3B_hR24_167_e_b:F-Ru,8.0,A3B_hR24_167_e_b:F-Ru +mp-540829,RuF5,-5.1589889323,-2.020356036,0.0,-0.0807780056,GGA,P2_1/c,A5B_mP48_14_10e_2e:F-Ru,48.0,A5B_mP48_14_10e_2e:F-Ru +mp-1186909,Ru3F,-7.1924991,0.2411725469,0.8713118633,0.8713118633,GGA,Fm-3m,AB3_cF16_225_a_bc:F-Ru,4.0,AB3_cF16_225_a_bc:F-Ru +mp-1209121,RuF6,-4.8709051843,-1.9075799921,0.0,-0.175846247,GGA,Pnma,A6B_oP28_62_2c2d_c:F-Ru,28.0,A6B_oP28_62_2c2d_c:F-Ru +mp-1025168,RuF6,-4.8661378557,-1.9028126636,0.0047673286,-0.1710789184,GGA,Im-3m,A6B_cI14_229_e_a:F-Ru,7.0,A6B_cI14_229_e_a:F-Ru +mp-1111087,Na2RuAuF6,-4.527887614,-1.8616667208,0.305926343,0.305926343,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ru +mp-974434,RuF4,-5.368438966,-1.984375284,0.0,-0.0159944826,GGA,P2_1/c,A4B_mP10_14_2e_a:F-Ru,10.0,"Invalid WP multiplicities - A4B_mP10_14_5e_a:F-Ru, expected RuF10 to be RuF4" +mp-1114133,Na3RuF6,-4.946720844,-2.4756356215,0.043639691,0.043639691,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Ru,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Ru +mp-1113688,Rb2NaAuF6,-4.147653717,-2.3450187927,0.060500452,0.060500452,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Na-Rb +mp-1114036,KRb2ScCl6,-4.460827664,-2.4113120483,0.0,-0.0096659291,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Sc +mp-1111207,K2RbScCl6,-4.408949835,-2.3464477318,0.0710802714,0.0710802714,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Sc +mp-11903,LiEu2IrO6,-8.527297225,-2.4331479336,0.0,-0.0561345208,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Eu-Ir-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_4e:Eu-Ir-Li-O, expected LiEu2IrO8 to be LiEu2IrO6" +mp-1185339,LiEu2Ir,-8.0861924125,-0.2708522508,0.0,-0.0005217108,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Ir-Li,4.0,A2BC_cF16_225_c_a_b:Eu-Ir-Li +mp-977368,K2Dy4Cu4Se9,-5.1119261021,-1.5062431951000002,0.0,-0.0563438147,GGA,C2/m,A4B4C2D9_mC38_12_2i_2i_i_a4i:Cu-Dy-K-Se,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_3i_3i_i_a8i:Cu-Dy-K-Se, expected K2Dy6Cu6Se17 to be K2Dy4Cu4Se9" +mp-1218503,Sr8RuRh3O16,-6.8365802318,-2.4069269048,0.0,-0.0066435406,GGA,I-4,A16B3CD8_tI56_82_2e2f2g_abc_d_2e2f:O-Rh-Ru-Sr,28.0,"Invalid WP multiplicities - A16B3CD8_tI56_82_4e4f4g_abc_d_4e4f:O-Rh-Ru-Sr, expected Sr16RuRh3O32 to be Sr8RuRh3O16" +mp-867850,ScMnRh2,-8.1758103625,-0.6200353282000001,0.0,-0.0152722675,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Sc +mp-542022,Sc2MnB2Rh5,-7.803558713,-0.6028310736,0.1248679457,0.1248679457,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Mn-Rh-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Mn-Rh-Sc +mp-1112163,K2GdCuCl6,-5.254151372,-2.1054166956,0.067146082,0.067146082,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Gd-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Gd-K +mp-1209048,Sc2B4Ru5,-8.4248710509,-0.6290057788,0.0,-0.1439127121,GGA,Pbam,A4B5C2_oP22_55_2g_b2h_g:B-Ru-Sc,22.0,"Invalid WP multiplicities - A4B5C2_oP22_55_3g_2b3h_g:B-Ru-Sc, expected ScB3Ru4 to be Sc2B4Ru5" +mp-1219294,ScNb2B2Ru5,-9.147941071,-0.5213535283,0.0,-0.0133904808,GGA,Cmmm,A2B2C5D_oC40_65_gi_eg_cd2q_i:B-Nb-Ru-Sc,20.0,"Invalid WP multiplicities - A2B2C5D_oC40_65_gi_eg_cd3q_i:B-Nb-Ru-Sc, expected ScNb2B2Ru7 to be ScNb2B2Ru5" +mp-1219392,Sc3Nb3(B2Ru5)2,-8.9761461075,-0.5380003616,0.002522729,0.002522729,GGA,Amm2,A4B3C10D3_oC40_38_2ad_ad_2b4e_ad:B-Nb-Ru-Sc,20.0,"Invalid WP multiplicities - A4B3C10D3_oC40_38_2ad_ad_2b7e_ad:B-Nb-Ru-Sc, expected Sc3Nb3(BRu4)4 to be Sc3Nb3(B2Ru5)2" +mp-867146,ScNbRu2,-9.2799934925,-0.5343486862,0.0,-0.173657015,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Nb-Ru-Sc,4.0,AB2C_cF16_225_a_c_b:Nb-Ru-Sc +mp-1200617,Sc(BRu)4,-8.2637877278,-0.4696048002,0.0376315115,0.0376315115,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Sc,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Sc +mp-1191941,Nb7(B4Ru3)2,-9.1636425843,-0.6021814087,0.0,-0.025249299,GGA,P6/m,A8B7C6_hP21_175_ck_aj_k:B-Nb-Ru,21.0,A8B7C6_hP21_175_ck_aj_k:B-Nb-Ru +mp-1105360,NbBRu,-9.2396132839,-0.5545801669,0.0109947219,0.0109947219,GGA,Pmma,ABC_oP18_51_ej_ei_fj:B-Nb-Ru,18.0,ABC_oP18_51_ej_ei_fj:B-Nb-Ru +mp-1189385,Nb3B2Ru5,-9.4513595555,-0.4478884193,0.0,-0.0620174552,GGA,P4/mbm,A2B3C5_tP20_127_g_ag_cj:B-Nb-Ru,20.0,A2B3C5_tP20_127_g_ag_cj:B-Nb-Ru +mp-1218372,Sr2ZnAs2,-3.62133854,-0.8299450747,0.0729287904,0.0729287904,GGA,P-6m2,A2B2C_hP5_187_bc_i_a:As-Sr-Zn,5.0,A2B2C_hP5_187_bc_i_a:As-Sr-Zn +mp-1104042,Sr2Zn2As3,-3.623190695,-0.7837865033,0.0012096479,0.0012096479,GGA,C2/m,A3B2C2_mC28_12_3i_2i_2i:As-Sr-Zn,14.0,A3B2C2_mC28_12_3i_2i_2i:As-Sr-Zn +mp-5078,SrZnF4,-5.1842206425,-3.4183618203,0.0,-0.0005822225,GGA,I4_1/a,A4BC_tI24_88_f_a_b:F-Sr-Zn,12.0,A4BC_tI24_88_f_a_b:F-Sr-Zn +mp-1208628,SrZnF2,-4.4372267712,-2.7441780217,0.4302408163,0.4302408163,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Sr-Zn,16.0,A2BC_tI32_141_h_c_d:F-Sr-Zn +mp-1208622,SrZnF2,-4.4388280381000005,-2.7457792885,0.4286395494,0.4286395494,GGA,Fd-3m,A2BC_cF64_227_e_c_d:F-Sr-Zn,16.0,A2BC_cF64_227_e_c_d:F-Sr-Zn +mp-1080135,SrZnAsF,-4.38779182,-2.007833211,0.0,-0.0026769587,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:As-F-Sr-Zn,8.0,ABCD_tP8_129_c_a_c_b:As-F-Sr-Zn +mp-28802,Sr4Zn3F14,-5.2926627676,-3.5165718063,0.0181038183,0.0181038183,GGA,P-62m,A14B4C3_hP21_189_cfgi_de_f:F-Sr-Zn,21.0,"Invalid WP multiplicities - A14B4C3_hP21_189_c3fg3i_de_f:F-Sr-Zn, expected Sr4Zn3F32 to be Sr4Zn3F14" +mp-7770,Sr(ZnAs)2,-3.37415843,-0.6687149333,0.0,-0.0824253086,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Sr-Zn,5.0,A2BC2_hP5_164_d_a_d:As-Sr-Zn +mp-1210670,Na3Pr(AsO4)2,-6.477084864,-2.3599257115,0.0102902271,0.0102902271,GGA,Pca2_1,A2B3C8D_oP112_29_4a_6a_16a_2a:As-Na-O-Pr,112.0,A2B3C8D_oP112_29_4a_6a_16a_2a:As-Na-O-Pr +mp-1210238,Na3Pr(AsO4)2,-6.3861185993,-2.2689594468,0.1012564918,0.1012564918,GGA,P-3m1,A2B3C8D_hP14_164_d_ad_di_b:As-Na-O-Pr,14.0,A2B3C8D_hP14_164_d_ad_di_b:As-Na-O-Pr +mp-1210259,Na5PrO6,-5.1114056192,-1.688600245,0.1700265311,0.1700265311,GGA,C2/c,A5B6C_mC48_15_c2ef_3f_e:Na-O-Pr,24.0,A5B6C_mC24_12_agh_ij_c:Na-O-Pr +mp-8470,NaPrO2,-6.9584218775,-2.9592197598,0.0,-0.0846973277,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Pr,8.0,AB2C_tI16_141_a_e_b:Na-O-Pr +mp-28429,Na2PrO3,-6.0195107313,-2.3085069853,0.1004162826,0.1004162826,GGA,C2/c,A2B3C_mC48_15_2f_3f_f:Na-O-Pr,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_4f_3f_f:Na-O-Pr, expected Na4PrO3 to be Na2PrO3" +mp-685712,Na2PrO3,-5.9233369435,-2.2123331975,0.1965900704,0.1965900704,GGA,C2/c,A2B3C_mC144_15_ae5f_9f_2e2f:Na-O-Pr,72.0,"Invalid WP multiplicities - A2B3C_mC144_15_2c2e18f_33f_4e4f:Na-O-Pr, expected Na20Pr6O33 to be Na2PrO3" +mp-1221352,Na2PrO3,-6.018780125,-2.3077763791,0.1011468889,0.1011468889,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Pr,24.0,A2B3C_mC48_15_aef_3f_2e:Na-O-Pr +mp-1221326,Na2PrO3,-6.0283290483,-2.3173253024,0.0915979656,0.0915979656,GGA,Immm,A2B3C_oI12_71_e_cf_a:Na-O-Pr,6.0,A2B3C_oI12_71_e_cf_a:Na-O-Pr +mp-1173656,Na2PrO3,-5.9270026167,-2.2159988707,0.1929243972,0.1929243972,GGA,P4/mmm,A2B3C_tP6_123_e_bf_a:Na-O-Pr,6.0,A2B3C_tP6_123_e_bf_a:Na-O-Pr +mp-33916,Nd2CuO4,-7.7366856443,-2.96207759,0.0112637736,0.0112637736,GGA,C2/m,AB2C4_mC14_12_a_i_eh:Cu-Nd-O,7.0,"Invalid WP multiplicities - AB2C4_mC14_12_a_i_2f2h:Cu-Nd-O, expected Nd2CuO8 to be Nd2CuO4" +mp-15742,Nd2CuO4,-7.6720582629,-2.8974502086,0.075891155,0.075891155,GGA,Cmce,AB2C4_oC28_64_a_f_ef:Cu-Nd-O,14.0,AB2C4_oC28_64_a_f_ef:Cu-Nd-O +mp-21376,Nd2CuO4,-7.6474555486,-2.8728474943,0.1004938693,0.1004938693,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Cu-Nd-O,7.0,AB2C4_tI14_139_a_e_ce:Cu-Nd-O +mp-4158,Nd2CuO4,-7.747465251399999,-2.9728571971,0.0004841664,0.0004841664,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-Nd-O,7.0,AB2C4_tI14_139_a_e_cd:Cu-Nd-O +mp-1173386,NdCuO3,-7.1255943425,-2.3841102952,0.0,-0.0188477,GGA,Pnma,ABC3_oP20_62_a_c_cd:Cu-Nd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Cu-Nd-O, expected NdCuO7 to be NdCuO3" +mp-4886,NdCuO2,-7.3016713475,-2.6114884662,0.0,-0.0056956916,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Nd-O,4.0,ABC2_hR12_166_a_b_c:Cu-Nd-O +mp-667803,Nd2Cu2O5,-7.1647706757,-2.4460871467,0.0778267979,0.0778267979,GGA,C2/c,A2B2C5_mC108_15_3f_3f_e7f:Cu-Nd-O,54.0,"Invalid WP multiplicities - A2B2C5_mC108_15_8f_9f_2e24f:Cu-Nd-O, expected Nd9Cu8O25 to be Nd2Cu2O5" +mp-21025,Nd2Cu2O5,-7.1737275706,-2.4550440415,0.0688699031,0.0688699031,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Cu-Nd-O,18.0,A2B2C5_oP18_55_g_h_agh:Cu-Nd-O +mp-556595,Nd4Cu2O7,-7.7798789754,-3.0185078947,0.0432968221,0.0432968221,GGA,C2/m,A2B4C7_mC26_12_ac_2i_b3i:Cu-Nd-O,13.0,"Invalid WP multiplicities - A2B4C7_mC26_12_bc_2i_a6i:Cu-Nd-O, expected Nd4Cu2O13 to be Nd4Cu2O7" +mp-558708,Nd2Cu(GeO4)2,-7.474110195,-2.6698742769,0.0015847515,0.0015847515,GGA,Cm,AB2C2D8_mC52_8_b_2ab_2b_4a6b:Cu-Ge-Nd-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_8_b_2a2b_3b_4a12b:Cu-Ge-Nd-O, expected Nd3CuGe3O14 to be Nd2Cu(GeO4)2" +mp-1191782,Nd5Cu5O13,-7.156217737,-2.4325775735,0.0761060195,0.0761060195,GGA,P2/m,A5B5C13_mP23_10_b2n_g2m_a2m4n:Cu-Nd-O,23.0,A5B5C13_mP23_10_b2n_d2m_a2m4n:Cu-Nd-O +mp-554231,Nd5Cu5O13,-7.1603162909,-2.4366761274,0.0720074655,0.0720074655,GGA,P4/m,A5B5C13_tP23_83_bk_cj_aj2k:Cu-Nd-O,23.0,"Invalid WP multiplicities - A5B5C13_tP23_83_bk_c2j_a4j6k:Cu-Nd-O, expected Nd9Cu5O41 to be Nd5Cu5O13" +mp-4371,Nd(CuO2)2,-6.70348903,-2.0244439418,0.0,-0.0519562768,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Nd-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Nd-O +mp-662567,Nd12Cu6O25,-7.6611528565,-2.8825429265,0.0640537024,0.0640537024,GGA,C2/m,A6B12C25_mC86_12_3i_6i_a12i:Cu-Nd-O,43.0,"Invalid WP multiplicities - A6B12C25_mC86_12_4i_12i_a22i:Cu-Nd-O, expected Nd24Cu8O45 to be Nd12Cu6O25" +mp-33872,Na7Zr6F31,-6.4567680107,-3.734046901,0.0034181135,0.0034181135,GGA,R3,A31B7C6_hR132_146_a10b_a2b_2b:F-Na-Zr,44.0,"Invalid WP multiplicities - A31B7C6_hR132_146_a30b_a4b_4b:F-Na-Zr, expected Na13Zr12F91 to be Na7Zr6F31" +mp-29934,Zr6Ag7F31,-6.0955699077,-3.1326166396,0.0,-0.0109930053,GGA,R-3,A7B31C6_hR132_148_af_b5f_f:Ag-F-Zr,44.0,A7B31C6_hR132_148_af_b5f_f:Ag-F-Zr +mp-1207387,Zr2Ag3F14,-5.5369295721,-2.7814677397,0.00725026,0.00725026,GGA,C2/m,A3B14C2_mC38_12_ai_bc2i2j_i:Ag-F-Zr,19.0,A3B14C2_mC38_12_bi_ac2i2j_i:Ag-F-Zr +mp-864745,Na3ZrF8,-5.5223907292,-3.2051317083,0.019847799,0.019847799,GGA,I4/mmm,A8B3C_tI24_139_m_ad_b:F-Na-Zr,12.0,A8B3C_tI24_139_m_ad_b:F-Na-Zr +mp-660167,NaZr2AgF11,-5.014355206,-2.195905126,1.186968368,1.1830461248,GGA,P-1,AB11CD2_aP15_2_a_e5i_b_i:Ag-F-Na-Zr,15.0,"Invalid WP multiplicities - AB11CD2_aP15_2_a_e7i_b_i:Ag-F-Na-Zr, expected NaZr2AgF15 to be NaZr2AgF11" +mp-561400,NaZr2AgF11,-6.201323574,-3.382873494,0.0,-0.0039222432,GGA,P-1,AB11CD2_aP15_2_c_d5i_b_i:Ag-F-Na-Zr,15.0,"Invalid WP multiplicities - AB11CD2_aP15_2_c_d7i_b_i:Ag-F-Na-Zr, expected NaZr2AgF15 to be NaZr2AgF11" +mp-36225,Na3ZrF7,-5.8606206455,-3.5064725288,0.0116869336,0.0116869336,GGA,Cm,A7B3C_mC22_8_3a2b_ab_a:F-Na-Zr,11.0,"Invalid WP multiplicities - A7B3C_mC22_8_3a4b_a2b_a:F-Na-Zr, expected Na5ZrF11 to be Na3ZrF7" +mp-27307,Na2ZrF6,-6.1502525772,-3.6322942415,0.0,-0.0079159847,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Na-Zr,36.0,A6B2C_mP36_14_6e_2e_e:F-Na-Zr +mp-27391,Na5Zr2F13,-5.8823854185,-3.4545227033,0.12160135,0.1085695963,GGA,C2/m,A13B5C2_mC40_12_a3j_c2i_i:F-Na-Zr,20.0,"Invalid WP multiplicities - A13B5C2_mC40_12_a7j_d4i_i:F-Na-Zr, expected Na9Zr2F29 to be Na5Zr2F13" +mp-555272,Na5Zr2F13,-6.0039867685,-3.5761240533,0.0,-0.0130317537,GGA,C2/m,A13B5C2_mC40_12_a3j_d2i_i:F-Na-Zr,20.0,"Invalid WP multiplicities - A13B5C2_mC40_12_a8j_c4i_i:F-Na-Zr, expected Na9Zr2F33 to be Na5Zr2F13" +mp-636461,Ga2Ge4Pb3O14,-6.5662337552,-2.0036299886,0.0223081766,0.0223081766,GGA,P321,A2B4C14D3_hP23_150_d_af_d2g_e:Ga-Ge-O-Pb,23.0,"Invalid WP multiplicities - A2B4C14D3_hP23_150_d_a2f_2d8g_e:Ga-Ge-O-Pb, expected Ga2Ge7Pb3O52 to be Ga2Ge4Pb3O14" +mp-14216,Ga8(Pb3O7)3,-6.1612817467,-1.910780306,0.0017989684,0.0017989684,GGA,Pa-3,A8B21C9_cP152_205_cd_ac3d_bcd:Ga-O-Pb,152.0,A8B21C9_cP152_205_cd_ac3d_bcd:Ga-O-Pb +mp-504827,Ga10GePb3O20,-6.4109926235,-2.1470013437,0.0,-0.0091542438,GGA,C2/m,A10BC20D3_mC68_12_h2j_a_2i4j_bi:Ga-Ge-O-Pb,34.0,A10BC20D3_mC68_12_h2j_a_2i4j_bi:Ga-Ge-O-Pb +mp-561013,Ga2PbO4,-6.29210713,-2.0698794214,0.0008665121,-0.0166468379,GGA,Cc,A2B4C_mC28_9_2a_4a_a:Ga-O-Pb,14.0,"Invalid WP multiplicities - A2B4C_mC28_9_3a_6a_a:Ga-O-Pb, expected Ga3PbO6 to be Ga2PbO4" +mp-20496,Ga2PbO4,-6.2929736421,-2.0707459336,0.0,-0.0175133501,GGA,Ama2,A2B4C_oC28_40_c_abc_b:Ga-O-Pb,14.0,A2B4C_oC28_40_c_abc_b:Ga-O-Pb +mp-1206808,Cs2LiAlF6,-5.333139499,-3.4417217744,0.0,-0.0219562976,GGA,P-3m1,AB2C6D_hP10_164_a_d_i_b:Al-Cs-F-Li,10.0,AB2C6D_hP10_164_a_d_i_b:Al-Cs-F-Li +mp-13634,Cs2LiAl3F12,-5.76915266,-3.6650302872,0.0,-0.0181226046,GGA,R-3m,A3B2C12D_hR54_166_d_c_2h_a:Al-Cs-F-Li,18.0,"Invalid WP multiplicities - A3B2C12D_hR54_166_d_c_4h_a:Al-Cs-F-Li, expected Cs2LiAl3F24 to be Cs2LiAl3F12" +mp-15254,Li3AlF6,-5.5767541675,-3.482632344,0.0,-0.034917684,GGA,C2/c,AB6C3_mC120_15_af_9f_e4f:Al-F-Li,60.0,"Invalid WP multiplicities - AB6C3_mC120_15_2cf_16f_e4f:Al-F-Li, expected Li9Al4F32 to be Li3AlF6" +mp-556020,Li3AlF6,-5.5711832848,-3.4770614612,0.0055708828,-0.0293468013,GGA,Pna2_1,AB6C3_oP40_33_a_6a_3a:Al-F-Li,40.0,"Invalid WP multiplicities - AB6C3_oP40_33_a_23a_10a:Al-F-Li, expected Li10AlF23 to be Li3AlF6" +mp-1111291,Li3AlF6,-5.4110272120000005,-3.3169053885,0.1657269555,0.1308092715,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-F-Li,10.0,AB6C3_cF40_225_a_e_bc:Al-F-Li +mp-1226909,CdBi8(Br5O4)2,-4.73506174,-1.5220767107,0.0443132657,0.0443132657,GGA,Cmmm,A8B10CD8_oC54_65_2g2h_ac2g2h_b_r:Bi-Br-Cd-O,27.0,"Invalid WP multiplicities - A8B10CD8_oC54_65_2g4h_ac2g4h_b_r:Bi-Br-Cd-O, expected CdBi12(Br7O4)2 to be CdBi8(Br5O4)2" +mp-1102017,CdBrO,-3.3864598,-0.9122575329,0.1906166784,0.1906166784,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-Cd-O,12.0,ABC_mP12_14_e_e_e:Br-Cd-O +mp-1226758,CdBiBrO2,-4.716293202,-1.4743362735,0.0353469503,0.0353469503,GGA,I4mm,ABCD2_tI10_107_a_a_a_b:Bi-Br-Cd-O,5.0,ABCD2_tI10_107_a_a_a_b:Bi-Br-Cd-O +mp-1197151,Cd(BrO4)2,-4.0788091707,-0.1149495243,0.2392163295,0.2392163295,GGA,P2_12_12_1,A2BC8_oP44_19_2a_a_8a:Br-Cd-O,44.0,A2BC8_oP44_19_2a_a_8a:Br-Cd-O +mp-1181986,Cd(BrO2)2,-3.6096220114,-0.2073789736,0.3491673682,0.3491673682,GGA,P1,A2BC4_aP14_1_4a_2a_8a:Br-Cd-O,14.0,A2BC4_aP14_1_4a_2a_8a:Br-Cd-O +mp-1181899,Cd(BrO2)2,-3.9447328907,-0.5424898529000001,0.0140564889,0.0140564889,GGA,P2_1/c,A2BC4_mP14_14_e_a_2e:Br-Cd-O,14.0,A2BC4_mP14_14_e_a_2e:Br-Cd-O +mp-1104364,Cd(BrO2)2,-3.5455378129,-0.143294775,0.4132515668,0.4132515668,GGA,Pnnm,A2BC4_oP14_58_g_a_2g:Br-Cd-O,14.0,A2BC4_oP14_58_g_a_2g:Br-Cd-O +mp-1207441,Zr3AgHg3F20,-5.4702622394,-2.9659556343,0.0,-0.0133850679,GGA,P6_3/m,AB20C3D3_hP54_176_a_bc4hi_h_h:Ag-F-Hg-Zr,54.0,AB20C3D3_hP54_176_a_bc4hi_h_h:Ag-F-Hg-Zr +mp-1093739,ZrAgHg2,-1.3754949625,1.6214093783,1.7062740821,1.7062740821,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Hg-Zr,4.0,AB2C_oI8_71_a_e_b:Ag-Hg-Zr +mp-1212006,InNiAg2F7,-4.6206165168,-2.1135905905,0.0,-0.0015321614,GGA+U,Imma,A2B7CD_oI44_74_ac_ehj_b_d:Ag-F-In-Ni,22.0,"Invalid WP multiplicities - A2B7CD_oI44_74_ac_2e2hj_b_d:Ag-F-In-Ni, expected InNiAg2F10 to be InNiAg2F7" +mp-1227322,Bi2PdPt,-5.060404335,-0.3274059875,0.0,-0.0058194375,GGA,P-3m1,A2BC_hP4_164_d_a_b:Bi-Pd-Pt,4.0,A2BC_hP4_164_d_a_b:Bi-Pd-Pt +mp-1183469,BiPtO3,-5.715715784,-0.7653780672,0.5484297291,0.5484297291,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-Pt,5.0,AB3C_cP5_221_a_c_b:Bi-O-Pt +mp-1227497,Bi2Pd3PtO8,-6.0841716493,-1.1652240279,0.0,-0.0002839129,GGA,P-1,A2B8C3D_aP14_2_i_4i_bce_a:Bi-O-Pd-Pt,14.0,A2B8C3D_aP14_2_i_4i_bce_a:Bi-O-Pd-Pt +mp-1400697,Bi2Pd3PtO8,-2.1913759571,2.7275716643,3.8927956921,3.8925117792,GGA,P-1,A2B8C3D_aP14_2_i_4i_abd_e:Bi-O-Pd-Pt,14.0,A2B8C3D_aP14_2_i_4i_abd_e:Bi-O-Pd-Pt +mp-1104660,Bi(PdO2)2,-6.0111069321,-1.1558201329,0.0,-0.0586805866,GGA,P-1,AB4C2_aP14_2_i_4i_abce:Bi-O-Pd,14.0,AB4C2_aP14_2_i_4i_abce:Bi-O-Pd +mp-1423351,Bi(PdO2)2,-2.0296837793,2.82560302,3.9814231529,3.9227425663,GGA,P-1,AB4C2_aP14_2_i_4i_abde:Bi-O-Pd,14.0,AB4C2_aP14_2_i_4i_abde:Bi-O-Pd +mp-25201,Bi(PdO2)2,-5.8537319214,-0.9984451221,0.1573750107,0.0986944241,GGA,P4/nmm,AB4C2_tP14_129_c_i_d:Bi-O-Pd,14.0,AB4C2_tP14_129_c_i_d:Bi-O-Pd +mp-559264,Bi2PdO4,-6.00382341,-1.3398784221,0.0839465568,0.0733313521,GGA,I4cm,A2B4C_tI28_108_c_d_a:Bi-O-Pd,14.0,A2B4C_tI28_108_c_d_a:Bi-O-Pd +mp-29259,Bi2PdO4,-6.0877699668,-1.4238249789,0.0,-0.0106152046,GGA,P4/ncc,A2B4C_tP28_130_f_g_c:Bi-O-Pd,28.0,A2B4C_tP28_130_f_g_c:Bi-O-Pd +mp-1214280,BiPtO14,-4.1356793719,0.8121496536,1.2844924277,1.2844924277,GGA,Fd-3m,AB14C_cF128_227_b_cg_a:Bi-O-Pt,32.0,AB14C_cF128_227_b_cg_a:Bi-O-Pt +mp-560373,Bi3Pt3O11,-6.2835821371,-1.3336737151,0.0,-0.0324746404,GGA,Pn-3,A3B11C3_cP68_201_be_efh_g:Bi-O-Pt,68.0,"Invalid WP multiplicities - A3B11C3_cP68_201_2b3e_8e8f10h_g:Bi-O-Pt, expected Bi8Pt3O100 to be Bi3Pt3O11" +mp-23341,Bi2Pt2O7,-6.2906353386,-1.3406293497,0.0,-0.0141176814,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Pt,22.0,A2B7C2_cF88_227_c_af_d:Bi-O-Pt +mp-1195104,Ce4GaSbS9,-6.3205077685,-1.7793409229,0.0255330594,0.0255330594,GGA,Aea2,A4BC9D_oC120_41_4b_b_2a8b_b:Ce-Ga-S-Sb,60.0,A4BC9D_oC120_41_4b_b_2a8b_b:Ce-Ga-S-Sb +mp-1105394,Sr2HoMoO6,-7.9541747205,-3.1054569051,0.0,-0.0318683536,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ho-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ho-Mo-O-Sr +mp-554183,ZrHg3(SCl3)2,-3.7790038962,-1.377098778,0.0,-0.0200579671,GGA,P2_1/c,A6B3C2D_mP24_14_3e_ae_e_d:Cl-Hg-S-Zr,24.0,"Invalid WP multiplicities - A6B3C2D_mP24_14_9e_ae_e_d:Cl-Hg-S-Zr, expected ZrHg3(SCl9)2 to be ZrHg3(SCl3)2" +mp-1225509,Dy2CrSbO7,-8.2901477209,-3.0517437783,0.0,-0.0212649439,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Cr-Dy-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Cr-Dy-O-Sb, expected Dy2CrSbO13 to be Dy2CrSbO7" +mp-1212865,DyCrSb3,-5.8569859595,-0.5276183535,0.0197617468,0.0197617468,GGA,Pbcm,ABC3_oP20_57_c_d_c2d:Cr-Dy-Sb,20.0,ABC3_oP20_57_c_d_c2d:Cr-Dy-Sb +mp-1212873,DyCrO2,-8.4963425625,-2.4580396294,0.556237925,0.556237925,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Cr-Dy-O,16.0,ABC2_tI32_141_c_d_h:Cr-Dy-O +mp-18754,DyCrO4,-8.4562334608,-2.781801935,0.0,-0.0714239043,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Dy-O,12.0,ABC4_tI24_141_a_b_h:Cr-Dy-O +mp-19381,DyCrO3,-9.043801588,-3.2238214993,0.0,-0.034923611,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Dy-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Dy-O +mp-1213546,DyCr2O2,-7.9277663145,-1.166514474,1.2449075695,1.2449075695,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Dy-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Dy-O +mp-1237565,DyCr2O2,-7.850099132,-1.0888472915,1.322574752,1.322574752,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Dy-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Dy-O +mp-1213391,DyCrO5,-7.898787797,-2.3283195304,0.0560821282,0.0560821282,GGA+U,P2_1/c,ABC5_mP56_14_2e_2e_10e:Cr-Dy-O,56.0,ABC5_mP56_14_2e_2e_10e:Cr-Dy-O +mp-756419,ScFeO3,-8.629074974,-2.7005636842,0.1381116889,0.1381116889,GGA+U,P2_1/c,AB3C_mP20_14_ad_3e_e:Fe-O-Sc,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2ab_9e_e:Fe-O-Sc, expected Sc2(FeO6)3 to be ScFeO3" +mp-769734,ScFeO3,-8.6832404825,-2.7547291927,0.0839461804,0.0839461804,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Fe-O-Sc, expected ScFeO7 to be ScFeO3" +mp-771123,ScFeO3,-8.7087887773,-2.7802774876000003,0.0583978855,0.0583978855,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Fe-O-Sc,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b11c_a2b:Fe-O-Sc, expected Sc5Fe3O40 to be ScFeO3" +mp-754342,ScFeO3,-8.694239036,-2.7657277463,0.0729476269,0.0729476269,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Fe-O-Sc,10.0,AB3C_hP10_194_c_bf_a:Fe-O-Sc +mp-1209643,Sm3Sc2(FeO4)3,-8.6912256187,-3.1116743798,0.0,-0.0158751212,GGA+U,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Fe-O-Sc-Sm,80.0,A3B12C2D3_cI160_230_d_h_a_c:Fe-O-Sc-Sm +mp-1219340,ScFe3O8,-7.475225895,-1.5322223596,0.3621651831,0.3621651831,GGA+U,C2/m,A3B8C_mC24_12_ai_2ij_c:Fe-O-Sc,12.0,"Invalid WP multiplicities - A3B8C_mC24_12_ai_4i2j_c:Fe-O-Sc, expected ScFe3O16 to be ScFe3O8" +mp-561751,CsErS2,-5.4987218925,-2.0647166635,0.0,-0.1631498165,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Er-S,4.0,ABC2_hR12_166_a_b_c:Cs-Er-S +mp-16972,CsErSiS4,-5.6367223882,-1.717545434,0.0,-0.0590747115,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Er-S-Si,28.0,ABC4D_oP28_19_a_a_4a_a:Cs-Er-S-Si +mp-1223580,La12Sn5S28,-6.2373041951,-1.9017366216,0.011015861,0.011015861,GGA,P1,A12B28C5_aP45_1_12a_28a_5a:La-S-Sn,45.0,A12B28C5_aP45_1_12a_28a_5a:La-S-Sn +mp-510566,La3CuSnS7,-6.1591072462,-1.8364448372,0.0,-0.0370527931,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-S-Sn,24.0,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-S-Sn +mp-12170,La2SnS5,-6.1605303556,-1.8400509307,0.0,-0.0127927931,GGA,Pbam,A2B5C_oP16_55_h_agh_c:La-S-Sn,16.0,"Invalid WP multiplicities - A2B5C_oP16_55_h_a2gh_c:La-S-Sn, expected La2SnS7 to be La2SnS5" +mp-561036,FeTe6O13,-6.0914251252,-1.5095846344,0.0,-0.0031609827,GGA+U,R-3,AB13C6_hR120_148_c_c4f_2f:Fe-O-Te,40.0,"Invalid WP multiplicities - AB13C6_hR120_148_c_2c20f_6f:Fe-O-Te, expected Fe(Te9O31)2 to be FeTe6O13" +mp-561343,Fe3(TeO3)4,-6.6881584675,-1.5648136392,0.0,-6.91382e-05,GGA+U,P2_1/c,A3B12C4_mP76_14_3e_12e_4e:Fe-O-Te,76.0,"Invalid WP multiplicities - A3B12C4_mP76_14_9e_44e_13e:Fe-O-Te, expected Fe9Te13O44 to be Fe3(TeO3)4" +mp-818655,Fe(TeO3)2,-6.334395976,-1.3969776133,0.1707132542,0.1707132542,GGA+U,I4_1/acd,AB6C2_tI144_142_d_2f2g_g:Fe-O-Te,72.0,AB6C2_tI144_142_d_2f2g_g:Fe-O-Te +mp-624234,TePb2O5,-5.9804750231,-1.5677195744,0.00067453,-0.0852401271,GGA,Cc,A5B2C_mC32_9_5a_2a_a:O-Pb-Te,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_e6f_f_a:O-Pb-Te, expected TePb2O13 to be TePb2O5" +mp-1105700,TePb2O5,-5.9811495531,-1.5683941044,0.0,-0.0859146571,GGA,C2/c,A5B2C_mC32_15_e2f_f_a:O-Pb-Te,16.0,A5B2C_mC32_15_e2f_f_a:O-Pb-Te +mp-1212714,FeTe3O8,-6.2197261117,-1.4302720633,0.1193837986,0.1193837986,GGA+U,Ia-3,AB8C3_cI96_206_a_ce_d:Fe-O-Te,48.0,AB8C3_cI96_206_a_ce_d:Fe-O-Te +mp-560112,Fe2TeO5,-7.2048470694,-1.6027480857,0.025492687,0.025492687,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_e:Fe-O-Te,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_4e_18e_e:Fe-O-Te, expected Fe4TeO18 to be Fe2TeO5" +mp-1194329,Fe2Te3O10,-6.4118675667,-1.3560777525,0.2260411195,0.2260411195,GGA+U,P-1,A2B10C3_aP30_2_2i_10i_3i:Fe-O-Te,30.0,A2B10C3_aP30_2_2i_10i_3i:Fe-O-Te +mp-1197402,FeTeO5,-6.0315924198,-0.8391966113,0.5985904935,0.5985904935,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Fe-O-Te,56.0,AB5C_mP56_14_2e_10e_2e:Fe-O-Te +mp-21922,Te3(PbO4)2,-5.8981494537,-1.5574785683,0.0,-0.0187713379,GGA,Cmcm,A8B2C3_oC156_63_ef2g4h_gh_cfgh:O-Pb-Te,78.0,"Invalid WP multiplicities - A8B2C3_oC156_63_ef2g5h_gh_cfgh:O-Pb-Te, expected Te9(Pb3O14)2 to be Te3(PbO4)2" +mp-605856,Fe2(TeO3)3,-6.6306716398,-1.5670888897,0.0042847712,0.0042847712,GGA+U,Pnma,A2B9C3_oP56_62_d_c4d_cd:Fe-O-Te,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_4c25d_2c3d:Fe-O-Te, expected FeTe4O27 to be Fe2(TeO3)3" +mp-540592,Fe2(TeO3)3,-6.6211163462,-1.5575335962,0.0138400647,0.0138400647,GGA+U,Pnma,A2B9C3_oP56_62_d_3c3d_3c:Fe-O-Te,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_d_12c18d_9c:Fe-O-Te, expected Fe2(Te3O16)3 to be Fe2(TeO3)3" +mp-1225390,Fe2Te2(PbO4)3,-6.5398353145,-1.6069479486,0.0,-0.0032845233,GGA+U,Cc,A2B12C3D2_mC76_9_2a_12a_3a_2a:Fe-O-Pb-Te,38.0,A2B12C3D2_mC76_9_2a_12a_3a_2a:Fe-O-Pb-Te +mp-543039,TePbO3,-5.8908579655,-1.5516541461,0.0,-0.005877703,GGA,C2/c,A3BC_mC120_15_9f_3f_3f:O-Pb-Te,60.0,A3BC_mC120_15_9f_3f_3f:O-Pb-Te +mp-555021,TePbO3,-5.888139745,-1.5489359256,0.0027182205,-0.0031594825,GGA,P4_1,A3BC_tP20_76_3a_a_a:O-Pb-Te,20.0,"Invalid WP multiplicities - A3BC_tP20_76_7a_a_a:O-Pb-Te, expected TePbO7 to be TePbO3" +mp-1203659,Te5PbO11,-5.8526168904,-1.5089255751,0.0103035171,0.0103035171,GGA,C2/c,A11BC5_mC136_15_11f_f_5f:O-Pb-Te,68.0,A11BC5_mC136_15_11f_f_5f:O-Pb-Te +mp-1201764,TePb5O8,-5.9195591209,-1.5424126257,0.0,-0.0163105822,GGA,P2_1/c,A8B5C_mP56_14_8e_5e_e:O-Pb-Te,56.0,A8B5C_mP56_14_8e_5e_e:O-Pb-Te +mp-1042761,Fe2(TeO4)3,-6.3340837562,-1.2911293659,0.2088448062,0.2088448062,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Fe-O-Te,34.0,A2B12C3_aP34_2_2i_12i_3i:Fe-O-Te +mp-1178313,Fe3TeO8,-7.1222712013,-1.4450312668,0.1406449692,0.1406449692,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Fe-O-Te,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Fe-O-Te, expected Fe3TeO30 to be Fe3TeO8" +mp-21437,Fe2TeO6,-7.16910651,-1.6398308899,0.0,-0.0942958783,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Fe-O-Te,18.0,A2B6C_tP18_136_e_fj_a:Fe-O-Te +mp-30995,Fe2Te4O11,-6.491016884,-1.5541438359000002,0.0038493281,0.0038493281,GGA+U,P2_1/c,A2B11C4_mP68_14_2e_11e_4e:Fe-O-Te,68.0,"Invalid WP multiplicities - A2B11C4_mP68_14_2e_13e_5e:Fe-O-Te, expected Fe2Te5O13 to be Fe2Te4O11" +mp-1219102,SmAlFe,-5.8673371583,-0.2226094333,0.0526012578,0.0526012578,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Sm,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Sm, expected Sm3(AlFe)2 to be SmAlFe" +mp-1219123,SmAlFe,-5.86514559,-0.220417865,0.0547928261,0.0547928261,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Sm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Sm, expected Sm3(AlFe)2 to be SmAlFe" +mp-1025204,Al2FeS4,-5.6729349714,-1.0290817804,0.1577112102,0.1577112102,GGA,R3m,A2BC4_hR21_160_2a_a_4a:Al-Fe-S,7.0,A2BC4_hR21_160_2a_a_4a:Al-Fe-S +mp-1078015,Al2FeS4,-5.70448482,-1.0606316289,0.1261613617,0.1261613617,GGA,R-3m,A2BC4_hR21_166_c_a_2c:Al-Fe-S,7.0,A2BC4_hR21_166_c_a_2c:Al-Fe-S +mp-1219228,Sm(Al3Fe)3,-5.29093855,-0.3802591473,0.0077714083,0.0077714083,GGA,C2/m,A9B3C_mC26_12_a2j_bf_c:Al-Fe-Sm,13.0,A9B3C_mC26_12_b2j_ae_c:Al-Fe-Sm +mp-1045438,Al(FeS2)2,-6.0806480786,-0.7618741189,0.2298071205,0.2298071205,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Al-Fe-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Al-Fe-S, expected Al(Fe2S7)2 to be Al(FeS2)2" +mp-1926096,Al(FeS2)2,-6.1675104564,-0.8487364968000001,0.1429447426,0.1429447426,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Al-Fe-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h3i:Al-Fe-S, expected Al(FeS6)2 to be Al(FeS2)2" +mp-1104984,Sm(Al2Fe)4,-5.6898442962,-0.4157460181,0.0,-0.0405151417,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Sm,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Sm +mp-1219263,Sm6Al3Fe11,-6.775664156,-0.1397402755,0.0,-0.0183354413,GGA,I4cm,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Sm,40.0,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Sm +mp-1188423,Sm2Al2Fe15,-7.6364356847,-0.0586124174,0.0322915056,0.0322915056,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Sm,19.0,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Sm +mp-1219212,Sm2Al4Fe13,-7.1883270411,-0.1078138137,0.066834604,0.066834604,GGA,R3m,A4B13C2_hR57_160_ab_a2bc_2a:Al-Fe-Sm,19.0,A4B13C2_hR57_160_ab_a2bc_2a:Al-Fe-Sm +mp-1191233,Sm3AlFeS7,-6.4638874871,-1.8533454443,0.0489970325,0.0489970325,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Sm +mp-1218873,Sm9Al5S21,-6.2603579016,-2.0300549996,0.0,-0.0230974655,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Al-S-Sm,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Al-S-Sm, expected Sm24Al5S51 to be Sm9Al5S21" +mp-2232113,MgFe4(HgO4)2,-6.3991305993,-1.3550482453,0.2833890338,0.2833890338,GGA+U,Imm2,A4B2CD8_oI30_44_cd_ab_a_2c2d:Fe-Hg-Mg-O,15.0,A4B2CD8_oI30_44_cd_ab_a_2c2d:Fe-Hg-Mg-O +mp-2232261,MgFe4(HgO4)2,-6.441054334,-1.39697198,0.2414652992,0.2414652992,GGA+U,R-3m,A4B2CD8_hR45_166_ad_c_b_ch:Fe-Hg-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_hR45_166_ad_c_b_2c2h:Fe-Hg-Mg-O, expected MgFe4(HgO8)2 to be MgFe4(HgO4)2" +mp-2232262,MgFe4(HgO4)2,-6.0533180547,-1.0092357007,0.6292015785,0.6292015785,GGA+U,F-43m,A4B2CD8_cF60_216_e_ac_b_2e:Fe-Hg-Mg-O,15.0,A4B2CD8_cF60_216_e_ac_b_2e:Fe-Hg-Mg-O +mp-754491,Fe2HgO4,-6.6543398714,-1.3642716386,0.0381073011,0.0381073011,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Hg-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Hg-O +mp-1079706,Ti5Al2C3,-8.203722387,-0.7382615649000001,0.0,-0.0011351235,GGA,R-3m,A2B3C5_hR30_166_c_ac_b2c:Al-C-Ti,10.0,"Invalid WP multiplicities - A2B3C5_hR30_166_c_ac_b3c:Al-C-Ti, expected Ti7Al2C3 to be Ti5Al2C3" +mp-1217197,Ti3AlNi12,-6.5226684987,-0.4730627462,0.0052189284,0.0052189284,GGA,P-6m2,AB12C3_hP16_187_a_jkn_di:Al-Ni-Ti,16.0,AB12C3_hP16_187_a_jkn_di:Al-Ni-Ti +mp-505538,Ti3Al2NiC,-7.2770928979,-0.6790314861,0.0,-0.0429925436,GGA,Fd-3m,A2BCD3_cF112_227_e_c_d_f:Al-C-Ni-Ti,28.0,A2BCD3_cF112_227_e_c_d_f:Al-C-Ni-Ti +mp-1217084,TiAlNi,-6.29581325,-0.4887450744,0.0622825583,0.0622825583,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Ti, expected Ti3(AlNi)2 to be TiAlNi" +mp-1217044,TiAlNi6,-6.2640041975,-0.4737682067,0.0,-0.0136945542,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Al-Ni-Ti,8.0,AB6C_tP8_123_a_cdi_b:Al-Ni-Ti +mp-1217285,TiAl4Ni15,-5.922600597,-0.4436083202,0.0063562415,0.0063562415,GGA,P4/mmm,A4B15C_tP20_123_2g_ce2h2i_a:Al-Ni-Ti,20.0,"Invalid WP multiplicities - A4B15C_tP20_123_3g_c2e3h7i_a:Al-Ni-Ti, expected Ti(Al2Ni13)3 to be TiAl4Ni15" +mp-865235,Ti6Al16Ni7,-5.6591615131,-0.5638814393,0.0,-0.0276186337,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Ti,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Ni-Ti +mp-1217248,Ti2Al3Ni,-5.9474324683,-0.4794577678,0.0249520678,0.0249520678,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Al-Ni-Ti,12.0,A3BC2_hP12_194_h_a_f:Al-Ni-Ti +mp-3747,Ti3AlC2,-8.41024293,-0.7620124525,0.0,-0.0119508775,GGA,P6_3/mmc,AB2C3_hP12_194_b_f_af:Al-C-Ti,12.0,AB2C3_hP12_194_b_f_af:Al-C-Ti +mp-12990,Ti2AlC,-7.8911037638,-0.6997974248000001,0.0,-0.0167553654,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Ti,8.0,ABC2_hP8_194_c_a_f:Al-C-Ti +mp-3271,Ti3AlC,-7.924206462,-0.5920629875,0.0,-0.0157596678,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Ti,5.0,ABC3_cP5_221_a_b_c:Al-C-Ti +mp-1217021,TiAlNi2,-6.312177845,-0.5118425433,0.11122664,0.0155049675,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Ni-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Ni-Ti +mp-7187,TiAlNi2,-6.423404485,-0.6230691833,0.0,-0.0957216725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ni-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Ni-Ti +mp-1217228,Ti4Al11Ni,-5.3054720094,-0.3952570796,0.0521301938,0.0521301938,GGA,P4mm,A11BC4_tP16_99_a2b4c_a_2a2b:Al-Ni-Ti,16.0,"Invalid WP multiplicities - A11BC4_tP16_99_a2b8c_a_2a2b:Al-Ni-Ti, expected Ti4Al19Ni to be Ti4Al11Ni" +mp-1018016,Ti2AlNi,-6.5936189425,-0.2644448067,0.1866682212,0.1866682212,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Ni-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Ni-Ti +mp-1187453,Ti2AlNi,-6.6000848125000005,-0.2709106767,0.1802023512,0.1802023512,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ni-Ti,4.0,ABC2_cF16_225_a_b_c:Al-Ni-Ti +mp-1110925,K3PrBr6,-3.86315506,-2.1201278024,0.1010745475,0.1010745475,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Pr,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Pr +mp-28276,K2PrBr5,-4.1046994219,-2.2588437595,0.0,-0.0371272963,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-K-Pr,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_7c3d_d_c:Br-K-Pr, expected K2PrBr13 to be K2PrBr5" +mp-1110914,K2PrAgBr6,-3.773795643,-1.8585526798,0.0837754495,0.0837754495,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Pr +mp-1111274,Na2CuPdF6,-4.443258807,-2.1039575198,0.1028085674,0.1028085674,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Pd,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Pd +mp-760419,Li2BiF5,-5.0847589963,-2.9327927836,0.0629077087,0.0629077087,GGA,I4/m,AB5C2_tI16_87_a_bh_d:Bi-F-Li,8.0,AB5C2_tI16_87_a_bh_d:Bi-F-Li +mp-1211242,LiBiF2,-4.594155365,-2.2010628821,0.3237282125,0.3237282125,GGA,I4_1/a,AB2C_tI32_88_c_f_d:Bi-F-Li,16.0,AB2C_tI32_88_c_f_d:Bi-F-Li +mp-1211158,Li3BiF6,-4.867943301,-2.7643301475,0.265419166,0.265419166,GGA,P-1,AB6C3_aP10_2_a_3i_bde:Bi-F-Li,10.0,AB6C3_aP10_2_a_3i_bde:Bi-F-Li +mp-1237871,Li3BiF6,-4.981971381,-2.8783582275,0.151391086,0.151391086,GGA,P-1,AB6C3_aP10_2_b_3i_ade:Bi-F-Li,10.0,AB6C3_aP10_2_b_3i_ade:Bi-F-Li +mp-27420,NaBiF6,-4.5689940862,-2.4900080577,0.0,-0.152178685,GGA,R-3,AB6C_hR24_148_a_f_b:Bi-F-Na,8.0,AB6C_hR24_148_a_f_b:Bi-F-Na +mp-1110905,Na2LiBiF6,-4.766636009,-2.7803023701000003,0.158474526,0.158474526,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-Li-Na +mp-752483,LiBiF5,-4.8075028886,-2.620816198,0.0651306614,0.0651306614,GGA,I-4,AB5C_tI14_82_a_bg_c:Bi-F-Li,7.0,AB5C_tI14_82_a_bg_c:Bi-F-Li +mp-28567,LiBiF4,-5.1715071017,-2.9389524572,0.0,-0.022935525,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Bi-F-Li,12.0,AB4C_tI24_88_a_f_b:Bi-F-Li +mp-1211427,Na3BiF6,-4.644237985,-2.7165441035,0.162985269,0.162985269,GGA,P-1,AB6C3_aP10_2_a_3i_bce:Bi-F-Na,10.0,AB6C3_aP10_2_a_3i_bce:Bi-F-Na +mp-1238101,Na3BiF6,-4.709839866,-2.7821459845,0.097383388,0.097383388,GGA,P-1,AB6C3_aP10_2_b_3i_ach:Bi-F-Na,10.0,AB6C3_aP10_2_b_3i_ach:Bi-F-Na +mp-1110572,Na3BiF6,-4.653137336,-2.7254434545,0.154085918,0.154085918,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-F-Na,10.0,AB6C3_cF40_225_a_e_bc:Bi-F-Na +mp-27419,LiBiF6,-4.6484783862,-2.4961926610000003,0.0,-0.1015055275,GGA,R-3,AB6C_hR24_148_a_f_b:Bi-F-Li,8.0,AB6C_hR24_148_a_f_b:Bi-F-Li +mp-28376,CuAuF5,-3.9678436286,-1.5492031275,0.0,-0.0175854648,GGA,P-1,ABC5_aP7_2_b_c_e2i:Au-Cu-F,7.0,"Invalid WP multiplicities - ABC5_aP7_2_b_c_e3i:Au-Cu-F, expected CuAuF7 to be CuAuF5" +mp-1112959,Cs2CuAuF6,-4.1641802,-2.1009034781,0.082491803,0.082491803,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Au-Cs-Cu-F,10.0,AB2CD6_cF40_225_a_c_b_e:Au-Cs-Cu-F +mp-1078408,LaNi2AsN,-6.731611993,-0.833233234,0.0,-0.0731460859,GGA,Cmcm,ABCD2_oC20_63_c_c_a_f:As-La-N-Ni,10.0,ABCD2_oC20_63_c_c_a_f:As-La-N-Ni +mp-1114078,Rb2YHgCl6,-4.061328163,-2.0790842047,0.1296287069,0.1296287069,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-Rb-Y +mp-1186116,Na3Np,-3.3819895,0.8468493904000001,0.8468493904000001,0.8468493904000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Na-Np,8.0,A3B_hP8_194_h_c:Na-Np +mp-1221458,NaNp3FeF15,-7.2033677454,-3.3379642424,0.240457339,0.240457339,GGA+U,P3c1,A15BCD3_hP80_158_10d_ab_ac_2d:F-Fe-Na-Np,80.0,A15BCD3_hP80_158_10d_ab_ac_2d:F-Fe-Na-Np +mp-1186195,NaNp3,-8.9507831675,1.0906829168,1.0906829168,1.0906829168,GGA,I4/mmm,AB3_tI8_139_a_bd:Na-Np,4.0,AB3_tI8_139_a_bd:Na-Np +mp-559628,NaNp3F13,-7.5151967268,-3.6907796141,0.0616886669,0.0616886669,GGA,P6_3/mmc,A13BC3_hP68_194_cefhi2k_f_k:F-Na-Np,68.0,"Invalid WP multiplicities - A13BC3_hP68_194_2c4e4f5h8i21k_f_k:F-Na-Np, expected Na2Np6F207 to be NaNp3F13" +mp-27740,NaNp2F9,-7.4149027946,-3.7131198476,0.0,-0.017613821,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-Na-Np,48.0,"Invalid WP multiplicities - A9BC2_oP48_62_4c28d_c_d:F-Na-Np, expected NaNp2F60 to be NaNp2F9" +mp-1211073,Na3Np6FeF30,-7.2054258689,-3.5187097638,0.0913230042,0.0913230042,GGA+U,P-3c1,A30BC3D6_hP80_165_5g_a_bd_g:F-Fe-Na-Np,80.0,A30BC3D6_hP80_165_5g_a_bd_g:F-Fe-Na-Np +mp-1225938,CsMgCoF6,-5.26873845,-2.9273080031000003,0.0,-0.017003968,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Co-Cs-F-Mg,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Co-Cs-F-Mg, expected CsMgCoF12 to be CsMgCoF6" +mp-1188515,Ca2InOsO6,-7.1548849395,-2.3878466208,0.0121223398,0.0121223398,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-In-O-Os,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-In-O-Os +mp-22766,CaIn2O4,-6.2949120779,-2.3955231943,0.0,-0.0237453479,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-In-O,14.0,AB2C4_cF56_227_a_d_e:Ca-In-O +mp-769778,Ca2In2O5,-6.3463490422,-2.5410145115,0.0569825372,0.0569825372,GGA,Pnma,A2B2C5_oP36_62_d_ac_c2d:Ca-In-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_d_2a2c_4c5d:Ca-In-O, expected CaIn2O7 to be Ca2In2O5" +mp-1213970,CaOsO3,-7.7612242835,-2.1466175948,0.0873073101,0.0873073101,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Os,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Os +mp-1016900,CaOsO3,-7.591910918,-1.9773042293,0.2566206756,0.2566206756,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Os,5.0,AB3C_cP5_221_a_c_b:Ca-O-Os +mp-2923,Ca2Os2O7,-7.7918328518,-2.2379459792,0.0,-0.1262952912,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ca-O-Os,22.0,A2B7C2_oI44_74_ac_ehj_bd:Ca-O-Os +mp-1183543,CaInO3,-5.90066144,-1.9811914912,0.3578972495,0.3578972495,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-In-O,5.0,ABC3_cP5_221_a_b_c:Ca-In-O +mp-757442,Ca3In2O6,-6.4391271059,-2.6936453452,0.0331987018,0.0331987018,GGA,Pmc2_1,A3B2C6_oP44_26_3a3b_3ab_5a7b:Ca-In-O,44.0,"Invalid WP multiplicities - A3B2C6_oP44_26_5a5b_2a4b_12a10b:Ca-In-O, expected Ca5In3O11 to be Ca3In2O6" +mp-1184799,InOsO3,-6.90046919,-1.1366457313,0.467179733,0.467179733,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-O-Os,5.0,AB3C_cP5_221_a_c_b:In-O-Os +mp-989565,Rb2TlGaF6,-4.719607782,-2.8375396701,0.0,-0.0087026193,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-Rb-Tl +mp-1207396,Zr2FeB2Ru5,-8.9571613495,-0.4275394783,0.005134849,0.005134849,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Ru-Zr,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Ru-Zr +mp-1096307,Zr2FeRu,-5.5356432675,3.174312985,3.6092010435,3.6092010435,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Ru-Zr,4.0,ABC2_oI8_71_a_b_e:Fe-Ru-Zr +mp-1220730,Nd3Pu,-7.004419105,0.1386510519,0.1386510519,0.1386510519,GGA,P-6m2,A3B_hP4_187_ai_d:Nd-Pu,4.0,A3B_hP4_187_ai_d:Nd-Pu +mp-2892,BaNd2O4,-7.9772904504,-3.5141440718,0.0,-0.0055567436,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Nd-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Nd-O +mp-1186428,NdPu3,-11.6423952775,0.2505203281,0.2505203281,0.2505203281,GGA,Pm,AB3_mP8_6_ab_3a3b:Nd-Pu,8.0,AB3_mP8_6_ab_3a3b:Nd-Pu +mp-1186386,NdPu3,-11.6572974975,0.2356181081,0.2356181081,0.2356181081,GGA,I4/mmm,AB3_tI8_139_a_bd:Nd-Pu,4.0,AB3_tI8_139_a_bd:Nd-Pu +mp-754307,BaNdO3,-7.300780508,-2.9953428068,0.1158703013,0.1158703013,GGA,R-3c,ABC3_hR30_167_a_b_e:Ba-Nd-O,10.0,ABC3_hR30_167_a_b_e:Ba-Nd-O +mp-755877,BaNdO3,-7.238127458,-2.9326897567,0.1785233513,0.1785233513,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Nd-O,5.0,ABC3_cP5_221_a_b_c:Ba-Nd-O +mp-1205885,Ba2NdPuO6,-8.645261937,-3.389855146,0.0,-0.0623410606,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Pu,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Pu +mp-1214640,Ba3CeIr2O9,-7.508992993,-2.5831876106,0.0,-0.0368109899,GGA,P6_3/mmc,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Ce-Ir-O,30.0,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Ce-Ir-O +mp-29468,Rb6Cl4O,-3.6080647045,-1.9513338149,0.0,-0.0021039227,GGA,R-3c,A4BC6_hR66_167_ae_b_f:Cl-O-Rb,22.0,A4BC6_hR66_167_ae_b_f:Cl-O-Rb +mp-1233517,Rb12Ca(ClO)4,-3.350819731,-1.4006811483,0.2728175944,0.2728175944,GGA,P1,AB4C4D12_aP21_1_a_4a_4a_12a:Ca-Cl-O-Rb,21.0,AB4C4D12_aP21_1_a_4a_4a_12a:Ca-Cl-O-Rb +mp-1233155,Rb12Ca(ClO)4,-3.3590531114,-1.4089145288,0.2645842139,0.2645842139,GGA,Pm,AB4C4D12_mP21_6_a_2a2b_2c_2a2b4c:Ca-Cl-O-Rb,21.0,AB4C4D12_mP21_6_a_2a2b_2c_2a2b4c:Ca-Cl-O-Rb +mp-23011,RbClO3,-4.678860798,-1.1450334248,0.065171114,0.065171114,GGA,R3m,AB3C_hR15_160_a_b_a:Cl-O-Rb,5.0,AB3C_hR15_160_a_b_a:Cl-O-Rb +mp-998324,RbCaCl3,-4.319587392,-2.6132386055,0.0,-0.0168297153,GGA,R3c,AB3C_hR30_161_a_b_a:Ca-Cl-Rb,10.0,AB3C_hR30_161_a_b_a:Ca-Cl-Rb +mp-1209277,Rb3Ca2Cl7,-4.2023498433,-2.5446366269,0.00720763,0.00720763,GGA,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Ca-Cl-Rb,12.0,A2B7C3_tI24_139_e_aeg_be:Ca-Cl-Rb +mp-549590,RbClO2,-4.2179642175,-1.0373521787,0.3452970225,0.3452970225,GGA,Cmcm,AB2C_oC16_63_c_g_a:Cl-O-Rb,8.0,AB2C_oC16_63_c_g_a:Cl-O-Rb +mp-676103,RbClO4,-4.3105502758,-0.5412460129000001,0.5539954175,0.4129485077,GGA,C2/c,AB4C_mC24_15_e_2f_e:Cl-O-Rb,12.0,AB4C_tP12_137_a_g_b:Cl-O-Rb +mp-28433,RbClO4,-4.8645456933,-1.0952414304,0.0,-0.1410469098,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Cl-O-Rb,24.0,AB4C_oP24_62_c_2cd_c:Cl-O-Rb +mp-1444146,RbClO4,-4.85771478,-1.0884105171,0.0068309133,-0.1342159965,GGA,P4_2/nmc,AB4C_tP12_137_a_g_b:Cl-O-Rb,12.0,AB4C_tP12_137_a_g_b:Cl-O-Rb +mp-550759,RbClO4,-4.8393322867,-1.0700280237,0.0252134067,-0.1158335031,GGA,F-43m,AB4C_cF24_216_a_e_b:Cl-O-Rb,6.0,AB4C_cF24_216_a_e_b:Cl-O-Rb +mp-755428,Rb3ClO,-3.541824264,-1.5944587463,0.0,-0.011108536,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cl-O-Rb,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_9c:Cl-O-Rb, expected Rb9ClO to be Rb3ClO" +mp-756979,Rb3ClO,-3.5266640545,-1.5792985368,0.0151602095,0.0040516735,GGA,Pnma,ABC3_oP20_62_c_a_cd:Cl-O-Rb,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Cl-O-Rb, expected Rb7ClO to be Rb3ClO" +mp-772199,Rb3ClO,-3.500219983,-1.5528544652,0.041604281,0.030495745,GGA,P6_3/mmc,ABC3_hP30_194_bf_af_hk:Cl-O-Rb,30.0,"Invalid WP multiplicities - ABC3_hP30_194_2b3f_a2f_4h5k:Cl-O-Rb, expected Rb42Cl8O5 to be Rb3ClO" +mp-754892,Rb3ClO,-3.500376682,-1.5530111642,0.041447582,0.030339046,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cl-O-Rb,5.0,ABC3_cP5_221_a_b_c:Cl-O-Rb +mp-38099,Rb4Cl2O,-3.530212295,-1.7350839634000002,0.0463093426,0.0463093426,GGA,I-42d,A2BC4_tI28_122_d_a_e:Cl-O-Rb,14.0,A2BC4_tI28_122_d_a_e:Cl-O-Rb +mp-8294,Cs2Li2TiO4,-6.2292719383,-2.5302833451,0.0,-0.0130127474,GGA,P-1,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-Li-O-Ti,18.0,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-Li-O-Ti +mp-989518,Rb2SBrCl6,-3.046113685,-1.1719370548,0.0678746289,0.0678746289,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Rb-S,10.0,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Rb-S +mp-22196,Dy2Cu(GeO3)4,-7.3215264295,-2.5233603082,0.0049246139,0.0049246139,GGA,P-1,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Dy-Ge-O,19.0,"Invalid WP multiplicities - AB2C4D12_aP19_2_a_i_2i_7i:Cu-Dy-Ge-O, expected Dy2Cu(Ge2O7)2 to be Dy2Cu(GeO3)4" +mp-1213218,Dy2Cu(GeO4)2,-7.4944796565,-2.715068445,0.0210767196,0.0210767196,GGA,Cm,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Dy-Ge-O,26.0,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Dy-Ge-O +mp-554740,CdGe(BiO3)2,-6.0855253913,-1.794822577,0.0002329828,-0.0052380068,GGA,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:Bi-Cd-Ge-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_4e_e_e_21e:Bi-Cd-Ge-O, expected CdGeBi4O21 to be CdGe(BiO3)2" +mp-555027,CdGe(BiO3)2,-6.085758374,-1.7950555598,0.0,-0.0054709895,GGA,Pbcn,A2BCD6_oP40_60_d_c_c_3d:Bi-Cd-Ge-O,40.0,"Invalid WP multiplicities - A2BCD6_oP40_60_d_c_c_18d:Bi-Cd-Ge-O, expected CdGe(BiO18)2 to be CdGe(BiO3)2" +mp-1035441,CsLiMg14O15,-5.8710795781,-2.6643513004,0.2514468468,0.2514468468,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-Li-Mg-O +mp-1035562,CsLiMg14O15,-5.907177191,-2.7004489133,0.2153492339,0.2153492339,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Cs-Li-Mg-O +mp-1031024,CsLiMg6O7,-5.3710389213,-2.2355171535,0.532822698,0.532822698,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:Cs-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:Cs-Li-Mg-O, expected CsLiMg10O11 to be CsLiMg6O7" +mp-1031048,CsLiMg6O7,-5.316984652,-2.1814628842,0.5868769673,0.5868769673,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:Cs-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:Cs-Li-Mg-O, expected CsLiMg10O11 to be CsLiMg6O7" +mp-1099242,CsLiMg6O7,-5.1238421067,-1.9883203388,0.7800195127,0.7800195127,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:Cs-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:Cs-Li-Mg-O, expected CsLiMg10O11 to be CsLiMg6O7" +mp-1099243,CsLiMg6O7,-5.4738512553,-2.3383294875,0.430010364,0.430010364,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:Cs-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:Cs-Li-Mg-O, expected CsLiMg10O11 to be CsLiMg6O7" +mp-1098505,CsLiMg30O31,-6.0766096957,-2.8359735562,0.150042827,0.150042827,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:Cs-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:Cs-Li-Mg-O, expected CsLiMg38O39 to be CsLiMg30O31" +mp-1040267,CsLiMg30O31,-6.0752131287,-2.8345769892,0.151439394,0.151439394,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:Cs-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:Cs-Li-Mg-O, expected CsLiMg38O39 to be CsLiMg30O31" +mp-1026828,CsLiMg14,-1.4179492150000002,0.1575661562,0.1883849042,0.1883849042,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-Li-Mg, expected CsLiMg18 to be CsLiMg14" +mp-1026823,CsLiMg14,-1.3971420469,0.1783733243,0.2091920723,0.2091920723,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-Li-Mg, expected CsLiMg26 to be CsLiMg14" +mp-1021289,CsLiMg6,-1.2802844119,0.2704662805,0.3053529282,0.3053529282,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-Li-Mg, expected CsLiMg12 to be CsLiMg6" +mp-1021308,CsLiMg6,-1.2707519925,0.2799986998,0.3148853476,0.3148853476,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cs-Li-Mg, expected CsLiMg12 to be CsLiMg6" +mp-1226894,CdIn2(SeS)2,-3.8541674071,-0.7554559916,0.1041580396,0.1041580396,GGA,R3m,AB2C2D2_hR21_160_a_2a_2a_2a:Cd-In-S-Se,7.0,AB2C2D2_hR21_160_a_2a_2a_2a:Cd-In-S-Se +mp-1226914,CdIn2(SeS)2,-3.9262221221,-0.8275107066,0.0321033246,0.0321033246,GGA,F-43m,AB2C2D2_cF56_216_ac_e_e_e:Cd-In-S-Se,14.0,AB2C2D2_cF56_216_ac_e_e_e:Cd-In-S-Se +mp-1226840,CdIn2SeS3,-4.0403075043,-0.8500906045000001,0.0184456887,0.0184456887,GGA,Imm2,AB2C3D_oI28_44_ab_cd_c2d_c:Cd-In-S-Se,14.0,AB2C3D_oI28_44_ab_cd_c2d_c:Cd-In-S-Se +mp-1110650,Rb2LiTaF6,-5.678913555,-2.9592493103,0.237246475,0.237246475,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ta +mp-867272,LiAlCu2,-3.684506565,-0.2212785558,0.0,-0.0233205521,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Li,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Li +mp-1251392,AlCuF5,-5.42180767,-2.9357823361,0.0528317064,0.0528317064,GGA,Immm,ABC5_oI14_71_a_b_ceg:Al-Cu-F,7.0,ABC5_oI14_71_a_b_ceg:Al-Cu-F +mp-1211199,Li4(AlCu2)3,-3.5391214154,-0.1954553403,0.0088017882,0.0088017882,GGA,P6_3/mmc,A3B6C4_hP26_194_af_k_bcf:Al-Cu-Li,26.0,A3B6C4_hP26_194_af_k_bcf:Al-Cu-Li +mp-1111683,Li2AlCuF6,-5.104165924,-2.7910157202,0.3187294405,0.3187294405,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Li +mp-1185307,LiAl2Cu,-3.561405985,-0.1865856858,0.0089476465,0.0089476465,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Cu-Li,4.0,A2BC_cF16_225_c_a_b:Al-Cu-Li +mp-1211217,Li6Al13Cu8,-3.6426240963,-0.2004138611,0.0,-0.0001704597,GGA,P4/mbm,A13B8C6_tP54_127_aghij_l_g2h:Al-Cu-Li,54.0,A13B8C6_tP54_127_aghij_l_g2h:Al-Cu-Li +mp-867966,Eu2SiO5,-9.6156513756,-3.2815557273,0.0,-0.0011159244,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:Eu-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_5f_17f_f:Eu-O-Si, expected Eu5SiO17 to be Eu2SiO5" +mp-867713,Eu2SiO5,-9.5444443069,-3.2103486586,0.0712070688,0.0700911444,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Eu-O-Si,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Eu-O-Si, expected Eu5SiO17 to be Eu2SiO5" +mp-505818,Eu2Si2O7,-9.2530801145,-3.2538564201,0.0325370935,0.0325370935,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Eu-O-Si,44.0,A2B7C2_mP44_14_2e_7e_2e:Eu-O-Si +mp-21599,Eu2Si2O7,-9.2787033889,-3.2794796944,0.0069138192,0.0069138192,GGA,Pnma,A2B7C2_oP44_62_d_3c2d_2c:Eu-O-Si,44.0,A2B7C2_oP44_62_d_3c2d_2c:Eu-O-Si +mp-1213303,Eu5Si3O13,-9.6493116869,-3.3698870995,0.0,-0.0757727779,GGA,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:Eu-O-Si,42.0,A5B13C3_hP42_176_fh_a2hi_h:Eu-O-Si +mp-1043669,Co(Si2O5)2,-7.907739454,-2.6893076522,0.141447452,0.141447452,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Co-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Co-O-Si, expected Co(Si2O11)2 to be Co(Si2O5)2" +mp-1340191,Co(SiO3)2,-7.6320800433,-2.3388482519,0.2003888622,0.2003888622,GGA+U,C2,AB6C2_mC36_5_ab_6c_2c:Co-O-Si,18.0,"Invalid WP multiplicities - AB6C2_mC36_5_ab_12c_4c:Co-O-Si, expected Co(SiO3)4 to be Co(SiO3)2" +mp-1341839,Co(SiO3)2,-7.6422525461,-2.3490207547,0.1902163594,0.1902163594,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Co-O-Si,18.0,AB6C2_mC36_15_e_3f_f:Co-O-Si +mp-1042286,Co(SiO3)2,-7.6802406944,-2.3870089031,0.1522282111,0.1522282111,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Co-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Co-O-Si, expected CoSi8O41 to be Co(SiO3)2" +mp-25268,CoSiO4,-7.3484916179,-1.9617598396,0.2130797871,0.2130797871,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Co-O-Si,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_14a_a:Co-O-Si, expected CoSiO14 to be CoSiO4" +mp-1172361,CoSiO4,-7.0424400889,-1.6557083106,0.5191313161000001,0.5191313161000001,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Co-O-Si,72.0,AB4C_cI144_230_c_h_d:Co-O-Si +mp-699575,CoSiO3,-7.9310383172,-2.4562979255,0.0200949855,0.0200949855,GGA+U,Pbca,AB3C_oP80_61_2c_6c_2c:Co-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_9c_43c_10c:Co-O-Si, expected Co9Si10O43 to be CoSiO3" +mp-1178357,Eu2CoO4,-9.3165738129,-2.5438486357,0.0984207752,0.0984207752,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Co-Eu-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_7e_15e:Co-Eu-O, expected Eu7CoO15 to be Eu2CoO4" +mp-754928,Eu2CoO4,-9.36266445,-2.5899392729,0.052330138,0.052330138,GGA+U,I4/mmm,AB2C4_tI14_139_a_e_ce:Co-Eu-O,7.0,"Invalid WP multiplicities - AB2C4_tI14_139_a_e_c2e:Co-Eu-O, expected Eu2CoO6 to be Eu2CoO4" +mp-866030,EuSiO3,-9.182717856,-3.0782406632,0.2542877045,0.2542877045,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Si,5.0,AB3C_cP5_221_a_c_b:Eu-O-Si +mp-555558,Co2SiO4,-7.7618179032,-2.1291452654,0.0079737121,0.0057352046,GGA+U,P2_1/c,A2B4C_mP28_14_ade_4e_e:Co-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2ad3e_12e_e:Co-O-Si, expected Co9(SiO12)2 to be Co2SiO4" +mp-21856,Co2SiO4,-7.7697916154,-2.1371189775,0.0,-0.0022385075,GGA+U,Pnma,A2B4C_oP28_62_ac_2cd_c:Co-O-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2ac_2cd_c:Co-O-Si, expected Co3SiO4 to be Co2SiO4" +mp-18941,Co2SiO4,-7.7236700936,-2.0909974557,0.0461215218,0.0438830143,GGA+U,Imma,A2B4C_oI56_74_aeg_2ehj_h:Co-O-Si,28.0,A2B4C_oI56_74_aeg_2ehj_h:Co-O-Si +mp-19071,Co2SiO4,-7.7060895586,-2.0734169207,0.0637020568,0.0614635493,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Co-O-Si,14.0,A2B4C_cF56_227_c_e_b:Co-O-Si +mp-1076123,Eu2Co2O5,-8.9053310633,-2.2982107582,0.0424469515,0.0424469515,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Co-Eu-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Co-Eu-O +mp-1184045,Eu2Co2O5,-8.8134095811,-2.206289276,0.1343684338,0.1343684338,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Co-Eu-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Co-Eu-O, expected Eu2Co2O9 to be Eu2Co2O5" +mp-1199416,Eu2CoSi3O10,-8.2685977209,-2.4332750586,0.6172326249,0.6172326249,GGA+U,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Co-Eu-O-Si,64.0,AB2C10D3_mP64_14_e_2e_10e_3e:Co-Eu-O-Si +mp-554546,Eu2SiO4,-9.8924662693,-3.36016963,0.0,-0.159121343,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Eu-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_5e_11e_e:Eu-O-Si, expected Eu5SiO11 to be Eu2SiO4" +mp-504653,Eu2SiO4,-9.8782161211,-3.3459194818,0.0142501482,-0.1448711948,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Eu-O-Si,28.0,A2B4C_oP28_62_2c_2cd_c:Eu-O-Si +mp-1212757,EuCoO3,-8.661387889,-2.2203107432,0.0,-0.0098407561,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Eu-O,20.0,ABC3_oP20_62_a_c_cd:Co-Eu-O +mp-1075975,EuCoO3,-8.56437934,-2.1233021942,0.097008549,0.0871677929,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-Eu-O,5.0,ABC3_cP5_221_b_a_c:Co-Eu-O +mp-1096849,Zn3(GaS3)2,-3.9150317227,-0.7646569885000001,0.2706661474,0.2706661474,GGA,C2/c,A2B6C3_mC44_15_f_3f_ef:Ga-S-Zn,22.0,A2B6C3_mC44_15_f_3f_ef:Ga-S-Zn +mp-1096788,Zn3(GaS3)2,-4.0619625864,-0.9115878522,0.1237352838,0.1237352838,GGA,P3m1,A2B6C3_hP11_156_ac_3a3b_a2b:Ga-S-Zn,11.0,A2B6C3_hP11_156_ac_3a3b_a2b:Ga-S-Zn +mp-1094010,ZnGa4S7,-4.4167051862,-0.8894321222,0.1070197892,0.1070197892,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:Ga-S-Zn,24.0,A4B7C_oP24_31_2b_a3b_a:Ga-S-Zn +mp-1094021,Zn(GaS2)2,-4.3374666355,-0.9286473323,0.0907853588,0.0638750861,GGA,C2/c,A2B4C_mC84_15_3f_6f_3e:Ga-S-Zn,42.0,A2B4C_mC84_15_3f_6f_3e:Ga-S-Zn +mp-1094013,Zn(GaS2)2,-4.284144405,-0.8753251018,0.1441075893,0.1171973165,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ga-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Ga-S-Zn +mp-1094014,Zn(GaS2)2,-4.1189544014,-0.7101350982,0.3092975929,0.2823873201,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-S-Zn,14.0,A2B4C_oC28_66_l_kl_a:Ga-S-Zn +mp-1094022,Zn(GaS2)2,-4.1473433634,-0.7385240602,0.2809086309,0.2539983581,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:Ga-S-Zn,56.0,A2B4C_oF224_70_2h_4h_abe:Ga-S-Zn +mp-5350,Zn(GaS2)2,-4.4282519943,-1.0194326911,0.0,-0.0269102728,GGA,I-4,A2B4C_tI14_82_ac_g_b:Ga-S-Zn,7.0,A2B4C_tI14_82_ac_g_b:Ga-S-Zn +mp-1078049,Zn(GaS2)2,-4.41918065,-1.0103613468,0.0090713443,-0.0178389285,GGA,P-42m,A2B4C_tP7_111_e_n_b:Ga-S-Zn,7.0,A2B4C_tP7_111_e_n_b:Ga-S-Zn +mp-34467,Zn(GaS2)2,-4.4196748243,-1.0108555211,0.00857717,-0.0183331028,GGA,I-42m,A2B4C_tI14_121_d_i_a:Ga-S-Zn,7.0,A2B4C_tI14_121_d_i_a:Ga-S-Zn +mp-1094006,Zn(GaS2)2,-4.28347239,-0.8746530868,0.1447796043,0.1178693315,GGA,R3m,A2B4C_hR21_160_2a_4a_a:Ga-S-Zn,7.0,A2B4C_hR21_160_2a_4a_a:Ga-S-Zn +mp-1094011,Zn(GaS2)2,-4.27266896,-0.8638496568,0.1555830343,0.1286727615,GGA,R3m,A2B4C_hR42_160_4a_8a_2a:Ga-S-Zn,14.0,A2B4C_hR42_160_4a_8a_2a:Ga-S-Zn +mp-1094008,Zn(GaS2)2,-4.3335962214,-0.9247769182,0.0946557729,0.0677455001,GGA,R-3m,A2B4C_hR21_166_c_2c_a:Ga-S-Zn,7.0,A2B4C_hR21_166_c_2c_a:Ga-S-Zn +mp-1094007,Zn(GaS2)2,-4.28685532,-0.8780360168,0.1413966743,0.1144864015,GGA,P6_3mc,A2B4C_hP14_186_2b_2a2b_a:Ga-S-Zn,14.0,A2B4C_hP14_186_2b_2a2b_a:Ga-S-Zn +mp-1094002,Zn(GaS2)2,-4.3082041786,-0.8993848754,0.1200478157,0.093137543,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ga-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Ga-S-Zn +mp-867242,Sc2ZnGa,-4.759131095,-0.5209366344,0.0,-0.0289033025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Sc-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Sc-Zn +mp-1094001,Zn2Ga2S5,-4.1403284522,-0.8894474967,0.1396960217,0.1396960217,GGA,R3m,A2B5C2_hR27_160_2a_5a_2a:Ga-S-Zn,9.0,A2B5C2_hR27_160_2a_5a_2a:Ga-S-Zn +mp-1093997,Zn2Ga2S5,-4.1387828233,-0.8879018678,0.1412416506,0.1412416506,GGA,R-3m,A2B5C2_hR27_166_c_a2c_c:Ga-S-Zn,9.0,A2B5C2_hR27_166_c_a2c_c:Ga-S-Zn +mp-1094004,Zn2Ga2S5,-4.1432490611,-0.8923681056,0.1367754129,0.1367754129,GGA,P6_3mc,A2B5C2_hP18_186_ab_5b_2b:Ga-S-Zn,18.0,A2B5C2_hP18_186_ab_5b_2b:Ga-S-Zn +mp-1093998,Zn2Ga2S5,-4.1406021683,-0.8897212128,0.1394223056,0.1394223056,GGA,P6_3/mmc,A2B5C2_hP18_194_f_c2f_e:Ga-S-Zn,18.0,A2B5C2_hP18_194_f_c2f_e:Ga-S-Zn +mp-1094018,Zn4Ga2S7,-3.7373272069,-0.6565337028,0.3830676298,0.3830676298,GGA,P2_1/m,A2B7C4_mP26_11_2e_3e2f_4e:Ga-S-Zn,26.0,A2B7C4_mP26_11_2e_3e2f_4e:Ga-S-Zn +mp-1001012,Sc2ZnS4,-6.2292099793,-1.8762840811,0.0093538597,0.0093538597,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:S-Sc-Zn,14.0,A4B2C_cF56_227_e_c_b:S-Sc-Zn +mp-1219265,ScZnGaS4,-5.1144223829,-1.2335497821,0.2189855338,0.2189855338,GGA,P3m1,AB4CD_hP7_156_a_2a2b_b_c:Ga-S-Sc-Zn,7.0,AB4CD_hP7_156_a_2a2b_b_c:Ga-S-Sc-Zn +mp-20316,PPbSe3,-4.521146167,-0.5984093651,0.0,-0.0761670718,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:P-Pb-Se,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_10e:P-Pb-Se, expected PPbSe10 to be PPbSe3" +mp-1193277,CsPPbSe4,-4.2627215304,-0.8334361219,0.0,-0.0089637621,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Cs-P-Pb-Se,28.0,ABCD4_oP28_62_c_c_c_2cd:Cs-P-Pb-Se +mp-559337,Nd7(S2Cl3)3,-5.9650588936,-2.5635788405,0.0174256479,0.0174256479,GGA,P2/c,A9B7C6_mP44_13_e4g_f3g_3g:Cl-Nd-S,44.0,"Invalid WP multiplicities - A9B7C6_mP44_13_2e14g_2f10g_10g:Cl-Nd-S, expected Nd11(S2Cl3)5 to be Nd7(S2Cl3)3" +mp-559779,Nd3SiS6Cl,-6.2891685919,-2.0712598475,0.0,-0.0197743124,GGA,Pnma,AB3C6D_oP88_62_d_2c2d_6c3d_2c:Cl-Nd-S-Si,88.0,"Invalid WP multiplicities - AB3C6D_oP88_62_d_8c8d_21c21d_4c:Cl-Nd-S-Si, expected Nd24Si4S63Cl2 to be Nd3SiS6Cl" +mp-556023,Nd3S2Cl5,-5.8118690977,-2.6298665646,0.0,-0.0108626166,GGA,P2_1/c,A5B3C2_mP40_14_5e_3e_2e:Cl-Nd-S,40.0,"Invalid WP multiplicities - A5B3C2_mP40_14_15e_9e_5e:Cl-Nd-S, expected Nd9(SCl3)5 to be Nd3S2Cl5" +mp-1198074,Hf(TlS)4,-5.0168416442,-1.0220015238,0.0,-0.0436707315,GGA,P-1,AB4C4_aP45_2_a2i_10i_10i:Hf-S-Tl,45.0,AB4C4_aP45_2_a2i_10i_10i:Hf-S-Tl +mp-9396,HfTlCuS3,-6.0556926158,-1.250961208,0.0,-0.0720451367,GGA,Cmcm,ABC3D_oC24_63_c_a_cf_c:Cu-Hf-S-Tl,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_a_c2f_c:Cu-Hf-S-Tl, expected HfTlCuS5 to be HfTlCuS3" +mp-1181234,In10(Pb2S7)3,-4.5106283062,-0.8171643353,0.0013375042,0.0013375042,GGA,P1,A10B6C21_aP37_1_10a_6a_21a:In-Pb-S,37.0,"Invalid WP multiplicities - A10B6C21_mC74_12_9i_5i_a20i:In-Pb-S, expected In18Pb10S41 to be In10(Pb2S7)3" +mp-622755,In10(Pb2S7)3,-4.5103465535,-0.8168825826,0.0016192569,0.0016192569,GGA,P-1,A10B6C21_aP37_2_5i_3i_a10i:In-Pb-S,37.0,"Invalid WP multiplicities - A10B6C21_mC74_12_9i_5i_a20i:In-Pb-S, expected In18Pb10S41 to be In10(Pb2S7)3" +mp-662823,In10(Pb2S7)3,-4.5105498643,-0.8170858934,0.001415946,0.001415946,GGA,Cm,A10B6C21_mC74_8_10a_6a_21a:In-Pb-S,37.0,"Invalid WP multiplicities - A10B6C21_mC74_12_9i_5i_a20i:In-Pb-S, expected In18Pb10S41 to be In10(Pb2S7)3" +mp-1203419,In10(Pb2S7)3,-4.4992648395,-0.8058008685,0.0127009709,0.0127009709,GGA,C2/m,A10B6C21_mC74_12_5i_3i_a10i:In-Pb-S,37.0,A10B6C21_mC74_12_5i_3i_a10i:In-Pb-S +mp-650840,In2Bi4Pb4S13,-4.6407725962,-0.7499134427,0.0,-0.0059578339,GGA,Pbam,A4B2C4D13_oP92_55_2g2h_acg_4h_8g5h:Bi-In-Pb-S,92.0,"Invalid WP multiplicities - A4B2C4D13_oP92_55_6g7h_ac2g_12h_29g19h:Bi-In-Pb-S, expected In3Bi13(PbS4)12 to be In2Bi4Pb4S13" +mp-651005,In3Bi7(Pb2S9)2,-4.5828436011,-0.6939323204000001,0.0313768612,0.0313768612,GGA,P2_1/m,A7B3C4D18_mP64_11_7e_3e_4e_18e:Bi-In-Pb-S,64.0,A7B3C4D18_mP64_11_14e_6e_8e_36e:Bi-In-Pb-S +mp-641924,Bi2PbS4,-4.6846881079,-0.6933417082000001,0.0055577443,0.0055577443,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Pb-S,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_4c_c_13c:Bi-Pb-S, expected Bi4PbS13 to be Bi2PbS4" +mp-21934,In9Pb4S17,-4.471503048,-0.8069900618,0.0082834883,0.0082834883,GGA,Pbam,A9B4C17_oP60_55_b2g2h_2g_c3g5h:In-Pb-S,60.0,"Invalid WP multiplicities - A9B4C17_oP60_55_b2g2h_2g_c4g6h:In-Pb-S, expected In9Pb4S21 to be In9Pb4S17" +mp-1201230,Bi2(Pb2S3)3,-4.6912251532,-0.7391716543,0.0106047741,0.0106047741,GGA,Cmcm,A2B6C9_oC68_63_f_ac2f_c4f:Bi-Pb-S,34.0,A2B6C9_oC68_63_f_ac2f_c4f:Bi-Pb-S +mp-1214399,Bi2(Pb2S3)3,-4.7016450226,-0.7495915237,0.0001849047,0.0001849047,GGA,Cmcm,A2B6C9_oC68_63_f_ac2f_c4f:Bi-Pb-S,34.0,A2B6C9_oC68_63_f_ac2f_c4f:Bi-Pb-S +mp-1225888,In16Bi8Pb3S38,-4.4941948538,-0.7545965635,0.0209887916,0.0209887916,GGA,P1,A8B16C3D38_aP65_1_8a_16a_3a_38a:Bi-In-Pb-S,65.0,A8B16C3D38_aP65_1_8a_16a_3a_38a:Bi-In-Pb-S +mp-1227567,Bi4PbS7,-4.6835353517,-0.6810559635,0.0032118246,0.0032118246,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Bi-Pb-S,12.0,A4BC7_mC24_8_4a_a_7a:Bi-Pb-S +mp-680181,Bi2Pb2S5,-4.6773669706,-0.7008645556,0.0175437828,0.0175437828,GGA,Pnma,A2B2C5_oP72_62_4c_4c_10c:Bi-Pb-S,72.0,"Invalid WP multiplicities - A2B2C5_oP72_62_12c_13c_35c:Bi-Pb-S, expected Bi12Pb13S35 to be Bi2Pb2S5" +mp-619279,In2PbS4,-4.4988330889,-0.8185739464,0.0018694709,0.0018694709,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:In-Pb-S,28.0,A2BC4_oP28_62_2c_c_4c:In-Pb-S +mp-629690,Bi2(PbS2)3,-4.6978793268,-0.7308230840000001,0.0,-0.0007333934,GGA,C2/m,A2B3C6_mC44_12_2i_3i_ac5i:Bi-Pb-S,22.0,"Invalid WP multiplicities - A2B3C6_mC44_12_3i_5i_ad10i:Bi-Pb-S, expected Bi3Pb5S11 to be Bi2(PbS2)3" +mp-1227695,Bi2(PbS2)3,-4.6856910914,-0.7186348485,0.0121882355,0.011454842,GGA,Cmcm,A2B3C6_oC44_63_f_cf_ac2f:Bi-Pb-S,22.0,A2B3C6_oC44_63_f_cf_ac2f:Bi-Pb-S +mp-1217858,TaTiTlO5,-8.8512211681,-2.9950516244000003,0.0,-0.0013400389,GGA,Pnma,A5BCD_oP32_62_5c_c_c_c:O-Ta-Ti-Tl,32.0,A5BCD_oP32_62_5c_c_c_c:O-Ta-Ti-Tl +mp-1218099,Ta6TiTl2O18,-9.5306786804,-3.1303882769,0.0,-0.0150780056,GGA,C2,A18B6CD2_mC54_5_9c_3c_a_c:O-Ta-Ti-Tl,27.0,"Invalid WP multiplicities - A18B6CD2_mC54_5_18c_6c_a_c:O-Ta-Ti-Tl, expected Ta12TiTl2O36 to be Ta6TiTl2O18" +mp-1208591,TaTlO12,-5.5206560582,-0.2648928217,0.7665009839,0.7665009839,GGA,Fd-3m,A12BC_cF112_227_g_a_b:O-Ta-Tl,28.0,A12BC_cF112_227_g_a_b:O-Ta-Tl +mp-38212,Ta2TlO6,-8.9313007917,-2.7359307168,0.1105755283,0.1105755283,GGA,Imma,A6B2C_oI36_74_2ej_ac_b:O-Ta-Tl,18.0,"Invalid WP multiplicities - A6B2C_oI36_74_4e4j_2ac_b:O-Ta-Tl, expected Ta3TlO20 to be Ta2TlO6" +mp-676262,TaTlO3,-8.5005441688,-2.6884467867,0.0,-0.1067895187,GGA,C2/c,A3BC_mC80_15_6f_abce_def:O-Ta-Tl,40.0,"Invalid WP multiplicities - A3BC_mC80_15_24f_2ab2c2e_2d2e4f:O-Ta-Tl, expected Ta7Tl12O48 to be TaTlO3" +mp-861873,TaTlO3,-8.393179314,-2.5810819319,0.1073648547,0.000575336,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ta-Tl,5.0,A3BC_cP5_221_c_b_a:O-Ta-Tl +mp-756933,TaTlO3,-8.4983768975,-2.6862795154,0.0021672712,-0.1046222475,GGA,Fd-3m,A3BC_cF80_227_f_c_d:O-Ta-Tl,20.0,A3BC_cF80_227_f_c_d:O-Ta-Tl +mp-1105327,Cr5Si3C,-8.4400702322,-0.2434194619,0.0531448783,0.0531448783,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Cr-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Cr-Si +mp-567830,Sm(CrSi)2,-7.338832576,-0.363769149,0.1332945363,0.1332945363,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-Sm +mp-1206312,SmCr2Si2C,-7.7753644517,-0.4247006804,0.0,-0.0059786743,GGA,P4/mmm,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Sm,6.0,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Sm +mp-1078494,Cr2SiC,-8.6151456962,-0.1251260806,0.1241055668,0.1241055668,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Cr-Si,8.0,AB2C_hP8_194_a_f_c:C-Cr-Si +mp-8610,Li8PtO6,-5.31597829,-1.9144683886,0.0,-0.0040044648,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Pt,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_2c2f_f_a:Li-O-Pt, expected Li16PtO6 to be Li8PtO6" +mp-531826,Li2PtO3,-5.8046343231,-1.6831267919,0.0,-0.1387898043,GGA,C2,A2B3C_mC144_5_ab11c_18c_2a2b4c:Li-O-Pt,72.0,"Invalid WP multiplicities - A2B3C_mC144_5_ab22c_35c_2a2b8c:Li-O-Pt, expected Li23(Pt2O7)5 to be Li2PtO3" +mp-1235015,LiCo(PtO2)3,-6.1612621445,-0.9875555183,0.1973701337,0.1973701337,GGA+U,Pm,ABC6D3_mP11_6_a_a_4a2b_a2b:Co-Li-O-Pt,11.0,ABC6D3_mP11_6_a_a_4a2b_a2b:Co-Li-O-Pt +mp-1235119,LiCo(PtO2)3,-6.1703120955,-0.9966054692,0.1883201828,0.1883201828,GGA+U,Pm,ABC6D3_mP11_6_a_b_4a2b_a2b:Co-Li-O-Pt,11.0,ABC6D3_mP11_6_a_b_4a2b_a2b:Co-Li-O-Pt +mp-1236602,LiCo(PtO2)3,-6.1578857845,-0.9841791583,0.2007464937,0.2007464937,GGA+U,Pm,ABC6D3_mP11_6_a_b_4a2b_a2b:Co-Li-O-Pt,11.0,ABC6D3_mP11_6_a_b_4a2b_a2b:Co-Li-O-Pt +mp-1211074,LiPtO2,-5.5876361383,-1.119277736,0.3251272588,0.3251272588,GGA,C2/m,AB2C_mC24_12_ag_ij_dh:Li-O-Pt,12.0,AB2C_mC24_12_ag_ij_dh:Li-O-Pt +mp-1211055,LiPt3O4,-6.0749570081,-1.0863222992,0.0,-0.0026053518,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Li-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Li-O-Pt +mp-1177862,Li2PtO2,-5.557899998,-1.6014287028,0.0290562082,0.0290562082,GGA,Immm,A2B2C_oI10_71_e_f_a:Li-O-Pt,5.0,A2B2C_oI10_71_e_f_a:Li-O-Pt +mp-1180661,Li2PtO6,-5.1830836222,-0.7865156977000001,0.344262019,0.344262019,GGA,C2/m,A2B6C_mC18_12_g_ij_a:Li-O-Pt,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_g_2i2j_a:Li-O-Pt, expected Li2PtO12 to be Li2PtO6" +mp-1180647,Li2PtO6,-5.1582764633,-0.7617085388,0.3690691779,0.3690691779,GGA,P-31m,A2B6C_hP9_162_c_k_a:Li-O-Pt,9.0,A2B6C_hP9_162_c_k_a:Li-O-Pt +mp-542644,Zn2In2S5,-4.0590404578,-0.8695844562,0.0731091117,0.0731091117,GGA,R3m,A2B5C2_hR27_160_2a_5a_2a:In-S-Zn,9.0,A2B5C2_hR27_160_2a_5a_2a:In-S-Zn +mp-560806,Zn2In2S5,-4.0614379739,-0.8719819723000001,0.0707115956,0.0707115956,GGA,P6_3mc,A2B5C2_hP18_186_ab_5b_2b:In-S-Zn,18.0,"Invalid WP multiplicities - A2B5C2_hP18_186_a2b_10b_2b:In-S-Zn, expected Zn2In3S10 to be Zn2In2S5" +mp-1207467,Zn4InS6,-3.8347061736,-0.8702191399,0.0953180912,0.0953180912,GGA,P-3m1,AB6C4_hP11_164_a_3d_2d:In-S-Zn,11.0,AB6C4_hP11_164_a_3d_2d:In-S-Zn +mp-1216034,ZnIn2Cu2S5,-4.334385783,-0.7700084086000001,0.0266995126,0.0266995126,GGA,Cm,A2B2C5D_mC20_8_2a_2a_5a_a:Cu-In-S-Zn,10.0,A2B2C5D_mC20_8_2a_2a_5a_a:Cu-In-S-Zn +mp-674328,Zn(InS2)2,-4.2381271171,-0.9082827546,0.0,-0.0082372836,GGA,P2/m,A2B4C_mP14_10_aem_2m2n_n:In-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_mP14_10_ce2m_4m3n_n:In-S-Zn, expected ZnIn3S7 to be Zn(InS2)2" +mp-22253,Zn(InS2)2,-4.17954203,-0.8496976675,0.0585850871,0.0503478035,GGA,P3m1,A2B4C_hP7_156_ac_2a2b_b:In-S-Zn,7.0,A2B4C_hP7_156_ac_2a2b_b:In-S-Zn +mp-616900,Zn(InS2)2,-4.16827042,-0.8384260575,0.0698566971,0.0616194135,GGA,R3m,A2B4C_hR42_160_4a_8a_2a:In-S-Zn,14.0,A2B4C_hR42_160_4a_8a_2a:In-S-Zn +mp-541937,Zn(InS2)2,-4.1782180271,-0.8483736646000001,0.05990909,0.0516718064,GGA,R3m,A2B4C_hR21_160_2a_4a_a:In-S-Zn,7.0,A2B4C_hR21_160_2a_4a_a:In-S-Zn +mp-21409,Zn(InS2)2,-4.1631590171,-0.8333146546,0.0749681,0.0667308164,GGA,P-3m1,A2B4C_hP14_164_cd_4d_d:In-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_cd_7d_d:In-S-Zn, expected ZnIn2S7 to be Zn(InS2)2" +mp-2352785,Zn(InS2)2,-4.1839814007000005,-0.8541370382,0.0541457164,0.0459084328,GGA,P-3m1,A2B4C_hP14_164_cd_4d_d:In-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_cd_7d_d:In-S-Zn, expected ZnIn2S7 to be Zn(InS2)2" +mp-560262,Zn(InS2)2,-4.1787518786,-0.8489075161,0.0593752386,0.0511379549,GGA,P6_3mc,A2B4C_hP14_186_2b_2a2b_a:In-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_hP14_186_2b_4a3b_a:In-S-Zn, expected ZnIn2S7 to be Zn(InS2)2" +mp-22052,Zn(InS2)2,-4.224136805,-0.8942924425000001,0.0139903121,0.0057530285,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:In-S-Zn,14.0,A2B4C_cF56_227_c_e_b:In-S-Zn +mp-1215775,Zn3InCuS5,-4.0490013365,-0.9177642801,0.0121553877,0.0121553877,GGA,P1,ABC5D3_aP20_1_2a_2a_10a_6a:Cu-In-S-Zn,20.0,ABC5D3_aP20_1_2a_2a_10a_6a:Cu-In-S-Zn +mp-637614,Zn3(InS3)2,-3.9930591845,-0.8929412308,0.0716501274,0.0716501274,GGA,P3m1,A2B6C3_hP11_156_ac_3a3b_a2b:In-S-Zn,11.0,A2B6C3_hP11_156_ac_3a3b_a2b:In-S-Zn +mp-1215696,Zn2InCuS4,-4.1307641375,-0.8912420016,0.0053747296,0.0053747296,GGA,I-42m,ABC4D2_tI16_121_a_b_i_d:Cu-In-S-Zn,8.0,ABC4D2_tI16_121_a_b_i_d:Cu-In-S-Zn +mp-1025309,Pr(Re2Si)2,-9.7482425571,-0.4040067636,0.0,-0.092087699,GGA,Cmmm,AB4C2_oC14_65_a_gh_h:Pr-Re-Si,7.0,AB4C2_oC14_65_a_gh_h:Pr-Re-Si +mp-22561,Pr2ReC2,-8.323258537,-0.230524601,0.0,-0.0406261144,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Pr-Re,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_6c_3c_c:C-Pr-Re, expected Pr3ReC6 to be Pr2ReC2" +mp-1198710,Pr2Re3Si5,-7.9160491657,-0.5138508442,0.0,-0.0225641312,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Pr-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Pr-Re-Si +mp-1206956,PrRe2SiC,-9.283147484,-0.4183587545,0.0,-0.0437568655,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Pr-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Pr-Re-Si +mp-1025384,Pr2Re2Si2C,-8.3126918286,-0.5226679096,0.0,-0.0221556689,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Pr-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Pr-Re-Si +mp-1199582,Pr12(ReC3)5,-8.2857712694,-0.222537289,0.0,-0.0204835505,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Pr-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Pr-Re +mp-1112229,K2LuCuCl6,-4.3052474830000005,-2.1120299786,0.0012922035,0.0012922035,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Lu,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Lu +mp-1110919,K2CeAgBr6,-3.882179778,-1.8517184748,0.0719254438,0.0719254438,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ce-K +mp-1112470,K2GaAgBr6,-3.157208436,-1.417246446,0.109775354,0.109775354,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-Ga-K +mp-1111801,Rb2InAgI6,-2.710994782,-1.0724441842,0.0787443685,0.0787443685,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-I-In-Rb +mp-27901,K4MnCl6,-4.2763110055,-2.0313263654,0.0270005961,0.0270005961,GGA,Im-3m,A6B4C_cI22_229_e_c_a:Cl-K-Mn,11.0,A6B4C_cI22_229_e_c_a:Cl-K-Mn +mp-1219089,Sn3TePb4O13,-6.3065132533,-1.8146293017,0.0,-0.0214279371,GGA,R3m,A13B4C3D_hR63_160_a4b_ab_b_a:O-Pb-Sn-Te,21.0,"Invalid WP multiplicities - A13B4C3D_hR63_160_a12b_ab_b_a:O-Pb-Sn-Te, expected Sn3TePb4O37 to be Sn3TePb4O13" +mp-28592,Li7Br3O2,-4.2706576633,-1.9444141234,0.0255237008,0.0255237008,GGA,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Br-Li-O,12.0,A3B7C2_tI24_139_ae_beg_e:Br-Li-O +mp-768992,Li6Bi2O7,-5.4989600017,-1.9148709057,0.0121510338,0.0121510338,GGA,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Bi-Li-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_11e_2a7e:Bi-Li-O, expected Li11BiO8 to be Li6Bi2O7" +mp-1222483,LiBi3(BrO2)2,-5.3851262680000005,-1.7528060918,0.004293386,-0.0472060096,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Br-Li-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Br-Li-O +mp-768150,LiBi3(BrO2)2,-5.389419654,-1.7570994778,0.0,-0.0514993956,GGA,Cmcm,A3B2CD4_oC40_63_cf_ac_c_h:Bi-Br-Li-O,20.0,"Invalid WP multiplicities - A3B2CD4_oC40_63_2c2f_2a2c_c_h:Bi-Br-Li-O, expected LiBi6(BrO)4 to be LiBi3(BrO2)2" +mp-769008,Li4Bi3O8,-5.666496331,-1.7511184279,0.0651215193,0.0651215193,GGA,P2_1/m,A3B4C8_mP30_11_3e_4e_8e:Bi-Li-O,30.0,"Invalid WP multiplicities - A3B4C8_mP30_11_5e_7e_15e:Bi-Li-O, expected Li7(BiO3)5 to be Li4Bi3O8" +mp-769040,Li5BiO4,-5.2663157715,-1.9491299407,0.0467763407,0.0467763407,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Bi-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Bi-Li-O, expected Li17BiO13 to be Li5BiO4" +mp-768986,Li5BiO4,-5.2727419924,-1.9555561615,0.0403501199,0.0403501199,GGA,P4_2/nmc,AB5C4_tP80_137_g_abd2fh_2gh:Bi-Li-O,80.0,"Invalid WP multiplicities - AB5C4_tP80_137_g_2a2b3d6f8h_12g3h:Bi-Li-O, expected Li49(BiO18)2 to be Li5BiO4" +mp-768997,LiBi3O5,-5.9074336203,-1.6670076411,0.0809802999999999,0.0809802999999999,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Bi-Li-O,36.0,"Invalid WP multiplicities - A3BC5_oP36_62_2c3d_c_10c3d:Bi-Li-O, expected Li(BiO2)8 to be LiBi3O5" +mp-28593,Li3BrO,-4.39658781,-1.9512906817,0.03706398,0.03706398,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Br-Li-O,5.0,AB3C_cP5_221_a_c_b:Br-Li-O +mp-1102865,Li8BiO3,-4.0503698483,-1.2210416652,0.4489927392,0.4489927392,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:Bi-Li-O,12.0,AB8C3_cP12_221_a_g_c:Bi-Li-O +mp-754011,Li(BiO2)3,-5.900898069,-1.5898458166,0.0791190457,0.0791190457,GGA,R-3,A3BC6_hR60_148_f_ab_2f:Bi-Li-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_148_f_ab_7f:Bi-Li-O, expected Li(BiO7)3 to be Li(BiO2)3" +mp-768971,Li(BiO2)3,-5.9027585160000005,-1.5917062636,0.0772585987,0.0772585987,GGA,I2_13,A3BC6_cI80_199_2b_a_2c:Bi-Li-O,40.0,"Invalid WP multiplicities - A3BC6_cI80_199_8b_a_8c:Bi-Li-O, expected Li(BiO2)12 to be Li(BiO2)3" +mp-1178110,Li(BiO2)2,-5.8726553525,-1.6759902137,0.054190771,0.054190771,GGA,Pbca,A2BC4_oP28_61_c_a_2c:Bi-Li-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_61_c_a_5c:Bi-Li-O, expected Li(BiO5)2 to be Li(BiO2)2" +mp-769019,Li(BiO2)2,-5.8391987671,-1.6425336283,0.0876473563,0.0876473563,GGA,P4/ncc,A2BC4_tP28_130_f_c_g:Bi-Li-O,28.0,A2BC4_tP28_130_f_c_g:Bi-Li-O +mp-29077,LiBiO3,-5.7638669717,-1.6459713457,0.0,-0.0417449383,GGA,Pccn,ABC3_oP40_56_e_e_cd2e:Bi-Li-O,40.0,ABC3_oP40_56_e_e_cd2e:Bi-Li-O +mp-726248,Li5Br3O2,-4.040911523,-1.6312038484,0.155830887,0.155830887,GGA,I-4m2,A3B5C2_tI20_119_ae_bef_e:Br-Li-O,10.0,A3B5C2_tI20_119_ae_bef_e:Br-Li-O +mp-779282,Li9Bi5O13,-5.5472684285,-1.8180201064,0.0770307659,0.0770307659,GGA,P2_1/c,A5B9C13_mP108_14_5e_9e_13e:Bi-Li-O,108.0,"Invalid WP multiplicities - A5B9C13_mP108_14_17e_33e_49e:Bi-Li-O, expected Li33Bi17O49 to be Li9Bi5O13" +mp-754586,Li8BiO6,-5.2279057327,-1.9751054439,0.0288129371,0.0288129371,GGA,R-3,AB8C6_hR45_148_a_cf_f:Bi-Li-O,15.0,"Invalid WP multiplicities - AB8C6_hR45_148_a_c2f_f:Bi-Li-O, expected Li14BiO6 to be Li8BiO6" +mp-768987,Li8BiO6,-5.189540757,-1.9367404683,0.0671779128,0.0671779128,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Bi-Li-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Bi-Li-O, expected Li31BiO16 to be Li8BiO6" +mp-769002,Li2BiO3,-5.5971555008,-1.8474220013,0.0319680377,0.0319680377,GGA,Cc,AB2C3_mC24_9_a_2a_3a:Bi-Li-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_3e_2a3f:Bi-Li-O, expected Li3BiO8 to be Li2BiO3" +mp-769026,Li2BiO3,-5.5782442233000005,-1.8285107238,0.0508793152,0.0508793152,GGA,C2/c,AB2C3_mC48_15_2e_cef_3f:Bi-Li-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2ae2f_11f:Bi-Li-O, expected Li7Bi3O22 to be Li2BiO3" +mp-753544,Li2BiO3,-5.5744742508,-1.8247407513,0.0546492877,0.0546492877,GGA,C2/c,AB2C3_mC48_15_2e_cef_3f:Bi-Li-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2a2e3f_11f:Bi-Li-O, expected Li10Bi3O22 to be Li2BiO3" +mp-755487,Li2BiO3,-5.5375076258,-1.7877741263,0.0916159127,0.0916159127,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Bi-Li-O,12.0,AB2C3_oC24_36_a_b_ab:Bi-Li-O +mp-768970,Li2BiO3,-5.5498843342,-1.8001508347,0.0792392044,0.0792392044,GGA,Pnna,AB2C3_oP24_52_c_ad_de:Bi-Li-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_52_c_2a2d_2d3e:Bi-Li-O, expected Li4BiO8 to be Li2BiO3" +mp-753162,Li2BiO3,-5.6104891917,-1.8607556922,0.0186343469,0.0186343469,GGA,Cmmm,AB2C3_oC12_65_a_h_bh:Bi-Li-O,6.0,AB2C3_oC12_65_a_h_bh:Bi-Li-O +mp-1222502,LiBrO,-3.4834844317,-0.6806044624,0.5951806764,0.5951806764,GGA,Pmma,ABC_oP6_51_f_e_a:Br-Li-O,6.0,ABC_oP6_51_f_e_a:Br-Li-O +mp-1176788,LiBi4O7,-5.9339503362,-1.6091419725,0.0927588783,0.0927588783,GGA,P-1,A4BC7_aP24_2_4i_ab_7i:Bi-Li-O,24.0,"Invalid WP multiplicities - A4BC7_aP24_2_7i_ab_13i:Bi-Li-O, expected LiBi7O13 to be LiBi4O7" +mp-38487,Li7BiO6,-5.3335312864,-1.9847397533,0.0,-0.0201351543,GGA,P1,AB7C6_aP14_1_a_7a_6a:Bi-Li-O,14.0,AB7C6_aP14_1_a_7a_6a:Bi-Li-O +mp-754060,Li7BiO6,-5.3211295771,-1.972338044,0.0124017093,-0.007733445,GGA,R3,AB7C6_hR42_146_a_a2b_2b:Bi-Li-O,14.0,"Invalid WP multiplicities - AB7C6_hR42_146_a_a4b_4b:Bi-Li-O, expected Li13BiO12 to be Li7BiO6" +mp-756718,Li4Bi2O5,-5.5364005832,-1.8954811938,0.0311865273,0.0311865273,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Bi-Li-O,22.0,"Invalid WP multiplicities - A2B4C5_aP22_2_3i_7i_9i:Bi-Li-O, expected Li7(BiO3)3 to be Li4Bi2O5" +mp-768988,Li4Bi2O5,-5.4803692857,-1.8394498963,0.0872178248,0.0872178248,GGA,Pnna,A2B4C5_oP44_52_e_cde_c2e:Bi-Li-O,44.0,"Invalid WP multiplicities - A2B4C5_oP44_52_e_2c4d3e_2c7e:Bi-Li-O, expected Li6BiO8 to be Li4Bi2O5" +mp-1540429,LiBiO2,-5.7657843931,-1.8550870383,0.0,-0.0147086971,GGA,C2/c,ABC2_mC32_15_f_f_2f:Bi-Li-O,16.0,ABC2_mC32_15_f_f_2f:Bi-Li-O +mp-28253,LiBiO2,-5.7638235844,-1.8531262296,0.0019608087,-0.0127478883,GGA,Ibam,ABC2_oI32_72_j_f_2j:Bi-Li-O,16.0,ABC2_oI32_72_j_f_2j:Bi-Li-O +mp-1205315,LiBiO2,-5.7228937687,-1.812196414,0.0428906244,0.0281819273,GGA,P4/nmm,ABC2_tP8_129_c_a_2c:Bi-Li-O,8.0,ABC2_tP8_129_c_a_2c:Bi-Li-O +mp-867727,Li5(BiO3)4,-5.7096853314,-1.6969788844,0.0218926972,0.0218926972,GGA,P-1,A4B5C12_aP42_2_4i_5i_12i:Bi-Li-O,42.0,"Invalid WP multiplicities - A4B5C12_aP42_2_7i_9i_23i:Bi-Li-O, expected Li9Bi7O23 to be Li5(BiO3)4" +mp-28510,Li3BiO3,-5.4543315204,-1.9675709684,0.0,-0.0237975129,GGA,P-1,AB3C3_aP56_2_4i_12i_12i:Bi-Li-O,56.0,"Invalid WP multiplicities - AB3C3_aP56_2_5i_12i_14i:Bi-Li-O, expected Li12Bi5O14 to be Li3BiO3" +mp-778604,Li3BiO3,-5.3608670798,-1.8741065279,0.0934644405,0.0696669277,GGA,I4_1,AB3C3_tI112_80_2b_6b_6b:Bi-Li-O,56.0,"Invalid WP multiplicities - AB3C3_tI112_80_5b_21b_23b:Bi-Li-O, expected Li21Bi5O23 to be Li3BiO3" +mp-753795,Li3BiO3,-5.3617206757,-1.8749601238,0.0926108446,0.0688133318,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-Li-O,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_9a_b:Bi-Li-O, expected Li9BiO3 to be Li3BiO3" +mp-756633,Li3BiO3,-5.394313745,-1.907553193,0.0600177754,0.0362202625,GGA,I-43m,AB3C3_cI56_217_c_g_g:Bi-Li-O,28.0,AB3C3_cI56_217_c_g_g:Bi-Li-O +mp-755691,Li2BiO2,-5.274054854,-1.7637123968,0.0726871737,0.0726871737,GGA,Immm,AB2C2_oI10_71_a_e_f:Bi-Li-O,5.0,AB2C2_oI10_71_a_e_f:Bi-Li-O +mp-769006,Li(Bi3O5)4,-6.0201629358,-1.5677821281000002,0.084163436,0.084163436,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Li-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_6c6f:Bi-Li-O, expected Li(BiO8)12 to be Li(Bi3O5)4" +mp-1197831,LiBrO3,-4.2012125643000005,-0.5408090982,0.2533212422,0.2533212422,GGA,Pbca,ABC3_oP40_61_c_c_3c:Br-Li-O,40.0,ABC3_oP40_61_c_c_3c:Br-Li-O +mp-1222678,Li2BrO,-4.14760059,-1.5682098964,0.1961201138,0.1961201138,GGA,P4/mmm,AB2C_tP4_123_a_e_d:Br-Li-O,4.0,AB2C_tP4_123_a_e_d:Br-Li-O +mp-1222694,Li2BrO,-3.6321189625,-1.0527282689,0.7116017412,0.7116017412,GGA,P4/mmm,AB2C_tP4_123_b_e_c:Br-Li-O,4.0,AB2C_tP4_123_b_e_c:Br-Li-O +mp-769010,Li6Bi5O14,-5.6635083126,-1.6671233203,0.0839741578,0.0839741578,GGA,Cmc2_1,A5B6C14_oC100_36_a2b_2a2b_4a5b:Bi-Li-O,50.0,"Invalid WP multiplicities - A5B6C14_oC100_36_a4b_3a4b_8a10b:Bi-Li-O, expected Li11Bi9O28 to be Li6Bi5O14" +mp-774702,Li3BiO4,-5.5607931112,-1.8915415394,0.0,-0.0479552893,GGA,P2/c,AB3C4_mP16_13_e_e2f_2g:Bi-Li-O,16.0,"Invalid WP multiplicities - AB3C4_mP16_13_e_e3f_8g:Bi-Li-O, expected Li4BiO16 to be Li3BiO4" +mp-557738,Li3BiO4,-5.5584649531,-1.8892133813,0.0023281581,-0.0456271311,GGA,P4_2/mnm,AB3C4_tP32_136_f_fi_2gi:Bi-Li-O,32.0,"Invalid WP multiplicities - AB3C4_tP32_136_f_3f3i_5g5i:Bi-Li-O, expected Li9BiO15 to be Li3BiO4" +mp-769004,Li3BiO4,-5.5326116475,-1.8633600756,0.0281814638,-0.0197738255,GGA,I-43m,AB3C4_cI64_217_c_g_cg:Bi-Li-O,32.0,"Invalid WP multiplicities - AB3C4_cI64_217_c_g_2c3g:Bi-Li-O, expected Li3BiO11 to be Li3BiO4" +mp-1222131,Mn2SnS4,-6.3230538743,-0.7688536019000001,0.0385080068,0.0385080068,GGA,P2/m,A2B4C_mP7_10_bd_mn_c:Mn-S-Sn,7.0,"Invalid WP multiplicities - A2B4C_mP7_10_ce_2m2n_b:Mn-S-Sn, expected Mn2SnS8 to be Mn2SnS4" +mp-21139,Mn2SnS4,-6.2812290657,-0.7270287933,0.0803328154,0.0803328154,GGA,Cmmm,A2B4C_oC14_65_f_gj_a:Mn-S-Sn,7.0,A2B4C_oC14_65_f_gj_a:Mn-S-Sn +mp-1222207,Mn2SnS4,-6.0257893193,-0.4715890469,0.3357725618,0.3357725618,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mn-S-Sn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_2h2i_c:Mn-S-Sn, expected Mn2SnS8 to be Mn2SnS4" +mp-1105291,Li2MnSnS4,-5.2876337806,-1.0957297371,0.0,-0.0182529336,GGA,Pc,A2BC4D_mP16_7_2a_a_4a_a:Li-Mn-S-Sn,16.0,A2BC4D_mP16_7_2a_a_4a_a:Li-Mn-S-Sn +mp-1195603,Li2MnSnS4,-5.2868447453,-1.0949407018,0.0007890353,-0.0174638983,GGA,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Mn-S-Sn,32.0,A2BC4D_oP32_33_2a_a_4a_a:Li-Mn-S-Sn +mp-27683,LiSnS2,-4.470485535,-0.9226369211,0.0997627239,0.0997627239,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-S-Sn,4.0,AB2C_hP4_164_a_d_b:Li-S-Sn +mp-1001783,LiSnS2,-4.50885314,-0.9610045261,0.0613951189,0.0613951189,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Sn,4.0,AB2C_hR12_166_a_c_b:Li-S-Sn +mp-1195718,Li4SnS4,-4.4069421597,-1.2746018498,0.0,-0.0181411231,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:Li-S-Sn,36.0,A4B4C_oP36_62_acd_2cd_c:Li-S-Sn +mp-1045435,Li(MnS2)2,-6.260133045,-1.0060254852,0.019791,0.0034980527,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Li-Mn-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Li-Mn-S, expected Li(Mn2S7)2 to be Li(MnS2)2" +mp-1045401,Li(MnS2)2,-6.279924045,-1.0258164852,0.0,-0.0162929473,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Li-Mn-S,14.0,AB2C4_cF56_227_a_d_e:Li-Mn-S +mp-756198,Li14Mn2S9,-4.6851663628,-1.394086382,0.0002643452,0.0002643452,GGA,P-3,A14B2C9_hP25_147_c2g_d_adg:Li-Mn-S,25.0,"Invalid WP multiplicities - A14B2C9_hP25_147_c7g_d_a2d3g:Li-Mn-S, expected Li44Mn2S23 to be Li14Mn2S9" +mp-1190364,Li2SnS3,-4.5056010033,-1.1328064718,0.0006651348,0.0006651348,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Li-S-Sn,24.0,A2B3C_mC48_15_aef_3f_2e:Li-S-Sn +mp-756490,Li6MnS4,-4.7577347450000005,-1.3794300214000002,0.0,-0.0007146858,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:Li-Mn-S,22.0,"Invalid WP multiplicities - A6BC4_tP22_137_2d3f_a_g:Li-Mn-S, expected Li16MnS4 to be Li6MnS4" +mp-1190853,Er3(GaNi3)2,-5.5227054286,-0.5735991964,0.0,-0.031220782,GGA,Im-3m,A3B2C6_cI44_229_e_c_h:Er-Ga-Ni,22.0,A3B2C6_cI44_229_e_c_h:Er-Ga-Ni +mp-1225679,ErGaNi,-5.073295155,-0.6146446508,0.0391636767,0.0081588033,GGA,C2/m,ABC_mC12_12_i_i_i:Er-Ga-Ni,6.0,ABC_mC12_12_i_i_i:Er-Ga-Ni +mp-1102207,ErGaNi,-5.1124588317,-0.6538083275000001,0.0,-0.0310048733,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ga-Ni,12.0,ABC_oP12_62_c_c_c:Er-Ga-Ni +mp-1225820,Er3Ga8Ni3,-4.4966744014,-0.5489362121,0.0513185179,0.0513185179,GGA,Cm,A3B8C3_mC28_8_3a_8a_3a:Er-Ga-Ni,14.0,A3B8C3_mC28_8_3a_8a_3a:Er-Ga-Ni +mp-1106190,Er4Ga12Ni,-4.1078986018,-0.5556536494000001,0.0,-0.0138378172,GGA,Im-3m,A4B12C_cI34_229_c_de_a:Er-Ga-Ni,17.0,A4B12C_cI34_229_c_de_a:Er-Ga-Ni +mp-1184507,Er4Ga21Ni10,-4.4963438989,-0.5059936556,0.0,-0.0005650483,GGA,C2/m,A4B21C10_mC70_12_2i_a10i_5i:Er-Ga-Ni,35.0,A4B21C10_mC70_12_2i_a10i_5i:Er-Ga-Ni +mp-1225643,Er2Ga3Ni,-4.64470796,-0.6447308987,0.0032173333,0.0032173333,GGA,Cm,A2B3C_mC12_8_2a_3a_a:Er-Ga-Ni,6.0,A2B3C_mC12_8_2a_3a_a:Er-Ga-Ni +mp-1095496,ErGa4Ni,-4.27011394,-0.5267406767,0.0,-0.0098117544,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Er-Ga-Ni,12.0,AB4C_oC24_63_c_acf_c:Er-Ga-Ni +mp-1225816,ErGa2Ni3,-5.2218831078,-0.5611629586,0.0,-0.0386981819,GGA,P-62m,AB2C3_hP18_189_ad_fg_gj:Er-Ga-Ni,18.0,AB2C3_hP18_189_ad_fg_gj:Er-Ga-Ni +mp-6959,Ga2NiS4,-4.8797686414,-0.8251788996,0.0422546795,0.0422546795,GGA,P-3m1,A2BC4_hP7_164_d_a_2d:Ga-Ni-S,7.0,A2BC4_hP7_164_d_a_2d:Ga-Ni-S +mp-1207042,Er2GaNi2,-5.341495402,-0.5967340015,0.0,-0.0115260875,GGA,Immm,A2BC2_oI10_71_e_c_g:Er-Ga-Ni,5.0,A2BC2_oI10_71_e_c_g:Er-Ga-Ni +mp-1189112,Er6GaNi2,-5.0443578178,-0.3782820131,0.0004599181,0.0004599181,GGA,Immm,A6BC2_oI36_71_lmn_ab_fg:Er-Ga-Ni,18.0,A6BC2_oI36_71_lmn_ab_fg:Er-Ga-Ni +mp-1025508,ErGa2Ni,-4.7564021537,-0.65539027,0.0,-0.0599931791,GGA,Cmcm,AB2C_oC16_63_c_f_c:Er-Ga-Ni,8.0,AB2C_oC16_63_c_f_c:Er-Ga-Ni +mp-1191780,Er3GaNiS7,-6.0310114533,-1.7421332699,0.0467569331,0.0467569331,GGA,P6_3,A3BCD7_hP24_173_c_b_a_b2c:Er-Ga-Ni-S,24.0,A3BCD7_hP24_173_c_b_a_b2c:Er-Ga-Ni-S +mp-1239250,NbCr3(AgS4)2,-6.2643622218,-0.7059937652,0.2151453694,0.2151453694,GGA,P1,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S,28.0,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S +mp-1239260,NbCr3(AgS4)2,-6.269526525,-0.7111580685000001,0.2099810661,0.2099810661,GGA,P1,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S,28.0,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S +mp-1246315,NbCr3(AgS4)2,-6.4188303679,-0.8604619113,0.0606772233,0.0606772233,GGA,P1,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S,28.0,A2B3CD8_aP28_1_4a_6a_2a_16a:Ag-Cr-Nb-S +mp-1239265,NbCr3(AgS4)2,-6.2699182668,-0.7115498102000001,0.2095893244,0.2095893244,GGA,P-1,A2B3CD8_aP28_2_2i_3i_i_8i:Ag-Cr-Nb-S,28.0,A2B3CD8_aP28_2_2i_3i_i_8i:Ag-Cr-Nb-S +mp-1246978,NbCr3(AgS4)2,-6.2714075293,-0.7130390727,0.2081000619,0.2081000619,GGA,P2_1,A2B3CD8_mP56_4_4a_6a_2a_16a:Ag-Cr-Nb-S,56.0,A2B3CD8_mP56_4_4a_6a_2a_16a:Ag-Cr-Nb-S +mp-1239253,NbCr3(AgS4)2,-6.4536352764,-0.8952668199,0.0258723147,0.0258723147,GGA,C2,A2B3CD8_mC28_5_c_ac_b_4c:Ag-Cr-Nb-S,14.0,"Invalid WP multiplicities - A2B3CD8_mC28_5_c_ac_b_8c:Ag-Cr-Nb-S, expected NbCr3(AgS8)2 to be NbCr3(AgS4)2" +mp-1246915,NbCr3(AgS4)2,-6.400977495,-0.8426090385,0.0785300961,0.0785300961,GGA,Pm,A2B3CD8_mP14_6_ab_a2b_a_4a4b:Ag-Cr-Nb-S,14.0,A2B3CD8_mP14_6_ab_a2b_a_4a4b:Ag-Cr-Nb-S +mp-1239254,NbCr3(AgS4)2,-6.2314776961,-0.6731092395,0.2480298951,0.2480298951,GGA,Pc,A2B3CD8_mP56_7_4a_6a_2a_16a:Ag-Cr-Nb-S,56.0,"Invalid WP multiplicities - A2B3CD8_mP56_7_6a_8a_2a_24a:Ag-Cr-Nb-S, expected NbCr4(AgS4)3 to be NbCr3(AgS4)2" +mp-1239270,NbCr3(AgS4)2,-6.4250314614,-0.8666630049,0.0544761297,0.0544761297,GGA,P2/m,A2B3CD8_mP14_10_cf_aj_b_mno:Ag-Cr-Nb-S,14.0,"Invalid WP multiplicities - A2B3CD8_mP14_10_cf_di_e_2m2no:Ag-Cr-Nb-S, expected NbCr3(AgS6)2 to be NbCr3(AgS4)2" +mp-1239271,NbCr3(AgS4)2,-6.4354627971,-0.8770943406,0.044044794,0.044044794,GGA,P2/m,A2B3CD8_mP14_10_l_aj_b_mno:Ag-Cr-Nb-S,14.0,"Invalid WP multiplicities - A2B3CD8_mP14_10_k_aj_b_2m2n2o:Ag-Cr-Nb-S, expected NbCr3(AgS8)2 to be NbCr3(AgS4)2" +mp-1239259,NbCr3(AgS4)2,-6.3447978782,-0.7864294217000001,0.1347097129,0.1347097129,GGA,P2_1/m,A2B3CD8_mP28_11_2e_3e_e_8e:Ag-Cr-Nb-S,28.0,A2B3CD8_mP28_11_2e_3e_e_8e:Ag-Cr-Nb-S +mp-1239269,NbCr3(AgS4)2,-6.4128079757,-0.8544395192,0.0666996154,0.0666996154,GGA,P2_1/m,A2B3CD8_mP28_11_2e_af_c_4f:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_mP28_11_2e_af_d_7f:Ag-Cr-Nb-S, expected NbCr3(AgS7)2 to be NbCr3(AgS4)2" +mp-1246977,NbCr3(AgS4)2,-6.3669423596,-0.8085739031,0.1125652315,0.1125652315,GGA,P2/c,A2B3CD8_mP28_13_ef_ag_d_4g:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_mP28_13_ef_ag_d_6g:Ag-Cr-Nb-S, expected NbCr3(AgS6)2 to be NbCr3(AgS4)2" +mp-1239252,NbCr3(AgS4)2,-6.4581754571,-0.8998070006000001,0.021332134,0.021332134,GGA,P222_1,A2B3CD8_oP28_17_ab_ce_d_4e:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_17_2a2b_ce_d_14e:Ag-Cr-Nb-S, expected NbCr3(AgS7)4 to be NbCr3(AgS4)2" +mp-1239267,NbCr3(AgS4)2,-6.4523904354,-0.8940219788,0.0271171558,0.0271171558,GGA,P222_1,A2B3CD8_oP28_17_e_abc_d_4e:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_17_e_2a2cd_b_16e:Ag-Cr-Nb-S, expected NbCr5(AgS16)2 to be NbCr3(AgS4)2" +mp-1239261,NbCr3(AgS4)2,-6.3446838971,-0.7863154406,0.134823694,0.134823694,GGA,Pmc2_1,A2B3CD8_oP28_26_ab_a2b_a_4a4b:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_26_a2b_2a2b_a_6a6b:Ag-Cr-Nb-S, expected NbCr4(AgS4)3 to be NbCr3(AgS4)2" +mp-1246763,NbCr3(AgS4)2,-6.3564120039,-0.7980435474,0.1230955872,0.1230955872,GGA,Pmc2_1,A2B3CD8_oP28_26_ab_a2b_a_4a4b:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_26_2ab_2a2b_a_5a7b:Ag-Cr-Nb-S, expected NbCr4(AgS4)3 to be NbCr3(AgS4)2" +mp-1239249,NbCr3(AgS4)2,-6.3410382571,-0.7826698006,0.138469334,0.138469334,GGA,Pmn2_1,A2B3CD8_oP28_31_2a_3a_a_8a:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_31_4a_5a_a_16a:Ag-Cr-Nb-S, expected NbCr5(AgS4)4 to be NbCr3(AgS4)2" +mp-1246997,NbCr3(AgS4)2,-6.3695318414,-0.8111633849000001,0.1099757497,0.1099757497,GGA,Pmn2_1,A2B3CD8_oP28_31_2a_3a_a_8a:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_31_4a_5a_a_16a:Ag-Cr-Nb-S, expected NbCr5(AgS4)4 to be NbCr3(AgS4)2" +mp-1247008,NbCr3(AgS4)2,-6.3574015364,-0.7990330799,0.1221060547,0.1221060547,GGA,Pmn2_1,A2B3CD8_oP28_31_2a_3a_a_8a:Ag-Cr-Nb-S,28.0,"Invalid WP multiplicities - A2B3CD8_oP28_31_4a_5a_a_16a:Ag-Cr-Nb-S, expected NbCr5(AgS4)4 to be NbCr3(AgS4)2" +mp-1239264,NbCr3(AgS4)2,-6.449594545,-0.8912260885000001,0.0299130461,0.0299130461,GGA,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Ag-Cr-Nb-S,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c3h:Ag-Cr-Nb-S, expected NbCr3(AgS11)2 to be NbCr3(AgS4)2" +mp-5306,Nb4CrS8,-7.7943929227,-1.3982493408,0.0,-0.0233286208,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Cr-Nb-S,26.0,"Invalid WP multiplicities - AB4C8_hP26_194_a_bh_f2k:Cr-Nb-S, expected Nb4CrS14 to be Nb4CrS8" +mp-1189260,Nb3CrS6,-7.860211384,-1.3826452049,0.0,-0.0193520976,GGA,P6_322,AB3C6_hP20_182_c_af_i:Cr-Nb-S,20.0,AB3C6_hP20_182_c_af_i:Cr-Nb-S +mp-1209946,NbCrS5,-6.7452062886,-0.9685488822,0.0614706676,0.0614706676,GGA,P2_1/m,ABC5_mP14_11_e_e_5e:Cr-Nb-S,14.0,ABC5_mP14_11_e_e_5e:Cr-Nb-S +mp-1247748,NbCr3S8,-6.97978536,-0.9671148279,0.055458349,0.055458349,GGA,R-3m,A3BC8_hR36_166_d_a_ch:Cr-Nb-S,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_a_2c3h:Cr-Nb-S, expected NbCr3S22 to be NbCr3S8" +mp-1222396,Lu4CrS7,-6.7560667067,-2.0317334885,0.0638392774,0.0638392774,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Lu-S,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Lu-S +mp-1232128,Lu2MgS4,-5.866166055,-1.9821688325,0.2004956664,0.1750104021,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Lu-Mg-S,28.0,A2BC4_aP28_2_4i_2i_8i:Lu-Mg-S +mp-1232138,Lu2MgS4,-6.027280933,-2.1432837105,0.0393807884,0.0138955241,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Lu-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Lu-Mg-S +mp-1232116,Lu2MgS4,-6.0305816311,-2.1465844086,0.0360800904,0.0105948261,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Lu-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Lu-Mg-S +mp-1232133,Lu2MgS4,-5.9922439957,-2.1082467732,0.0744177257,0.0489324614,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Lu-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Lu-Mg-S +mp-1232157,Lu2MgS4,-5.7876947379,-1.9036975154,0.2789669836,0.2534817193,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Lu-Mg-S,28.0,A2BC4_oP28_62_2c_c_2cd:Lu-Mg-S +mp-1232115,Lu2MgS4,-5.9471084371,-2.0631112146,0.1195532843,0.09406802,GGA,I-42d,A2BC4_tI28_122_d_a_e:Lu-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Lu-Mg-S +mp-14304,Lu2MgS4,-6.0666617214,-2.1826644989,0.0,-0.0254852643,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Lu-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Lu-Mg-S +mp-1246563,LuMg2Cr3S8,-6.3978229536,-1.4140906704,0.0356813945,0.0356813945,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Lu-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-Lu-Mg-S, expected LuMg2Cr3S16 to be LuMg2Cr3S8" +mp-1210964,Lu3CrS6,-6.7937537167,-1.9902938936,0.019964873,0.019964873,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Lu-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Lu-S +mp-1246966,LuMgCrS4,-6.262074875,-1.6449209454,0.0491485975,0.0491485975,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Lu-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-Lu-Mg-S, expected LuMgCrS12 to be LuMgCrS4" +mp-1247256,Lu3Mg2CrS8,-6.1516965729,-1.9011209968,0.0372460241,0.0372460241,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-Lu-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-Lu-Mg-S, expected Lu3Mg2CrS22 to be Lu3Mg2CrS8" +mp-1181907,Co(BrO3)2,-4.56785192,-0.1351289508,0.3548788788,0.3548788788,GGA+U,P2_1/m,A2BC6_mP18_11_2e_a_6e:Br-Co-O,18.0,A2BC6_mP18_11_2e_a_6e:Br-Co-O +mp-1181939,CoBrO,-5.409418485,-0.8734068729000001,0.0690086517,0.0690086517,GGA+U,P1,ABC_aP24_1_8a_8a_8a:Br-Co-O,24.0,ABC_aP24_1_8a_8a_8a:Br-Co-O +mp-1181976,CoBrO,-5.38947204,-0.8534604279,0.0889550967,0.0889550967,GGA+U,Pbca,ABC_oP24_61_c_c_c:Br-Co-O,24.0,ABC_oP24_61_c_c_c:Br-Co-O +mp-1228776,Ba2Co4BrO7,-6.6795634136,-1.7902012444,0.0540924093,0.0540924093,GGA+U,C2,A2BC4D7_mC56_5_2c_c_2a3c_7c:Ba-Br-Co-O,28.0,"Invalid WP multiplicities - A2BC4D7_mC56_5_2c_c_2a4c_13c:Ba-Br-Co-O, expected Ba2Co5BrO13 to be Ba2Co4BrO7" +mp-1214071,Co(BrO6)2,-4.4571940437,0.1811152223,0.4751199201,0.4751199201,GGA+U,Pa-3,A2BC12_cP60_205_c_a_2d:Br-Co-O,60.0,A2BC12_cP60_205_c_a_2d:Br-Co-O +mp-1228618,Ba3Mn4PtO12,-7.4321506415,-2.0403314493,0.1881578124,0.1881578124,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2a2b_2a2b4c_a:Ba-Mn-O-Pt,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_2a2b_2a2b8c_a:Ba-Mn-O-Pt, expected Ba3Mn4PtO20 to be Ba3Mn4PtO12" +mp-18971,Mn(PtO2)3,-6.895280271,-1.189725519,0.0,-0.0429355429,GGA+U,Cmmm,AB6C3_oC20_65_a_hp_bf:Mn-O-Pt,10.0,AB6C3_oC20_65_a_hp_bf:Mn-O-Pt +mp-1185978,Mn2Pt2O5,-6.9968176211,-0.86351309,0.595109635,0.595109635,GGA+U,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Mn-O-Pt,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Mn-O-Pt, expected Mn2Pt2O9 to be Mn2Pt2O5" +mp-1215674,ZnCu(SeO3)2,-5.4416923075,-1.2386017572,0.0629542307,0.0629542307,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Cu-O-Se-Zn,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Cu-O-Se-Zn, expected ZnCu(SeO5)2 to be ZnCu(SeO3)2" +mp-1205597,Ba2TbMoO6,-7.927442961,-3.0276331252,0.0,-0.0365578839,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Tb +mp-1214377,BaTb2(MoO4)4,-8.4483525722,-2.6345557478,0.0229502977,0.0229502977,GGA+U,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Tb,46.0,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Tb +mp-31906,MnReO4,-8.96282874,-2.063945853,0.0491118033,0.0491118033,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mn-O-Re,24.0,AB4C_mP12_13_e_2g_f:Mn-O-Re +mp-1278885,Mn3ReO6,-8.961413011,-2.0003424781,0.059434173,0.059434173,GGA+U,P2_1,A3B6C_mP20_4_3a_6a_a:Mn-O-Re,20.0,"Invalid WP multiplicities - A3B6C_mP20_4_3a_9a_a:Mn-O-Re, expected Mn3ReO9 to be Mn3ReO6" +mp-1105243,Mn3ReO6,-8.9672245645,-2.0061540316,0.0536226195,0.0536226195,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Mn-O-Re,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_2a2e_3e_b:Mn-O-Re, expected Mn6ReO6 to be Mn3ReO6" +mp-743906,La5MnRe3O16,-9.0282869932,-3.0153809231,0.0516586421,0.0516586421,GGA+U,P-1,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mn-O-Re,100.0,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mn-O-Re +mp-1103967,Mn(ReO5)2,-8.0474422892,-1.6229840758,0.2464923452,0.2464923452,GGA+U,C2/m,AB10C2_mC26_12_a_3ij_i:Mn-O-Re,13.0,AB10C2_mC26_12_a_3ij_i:Mn-O-Re +mp-1210731,Mn(ReO5)2,-8.0271632092,-1.6027049958,0.2667714252,0.2667714252,GGA+U,C2/m,AB10C2_mC26_12_a_3ij_i:Mn-O-Re,13.0,AB10C2_mC26_12_a_3ij_i:Mn-O-Re +mp-627380,Mn(ReO4)2,-8.9025248023,-2.2093812248,0.0,-0.1451525283,GGA+U,P-3,AB8C2_hP11_147_a_dg_d:Mn-O-Re,44.0,AB8C2_hP11_147_a_dg_d:Mn-O-Re +mp-31907,Mn(ReO4)2,-8.9015462561,-2.2084026787,0.0009785461,-0.1441739821,GGA+U,P-3m1,AB8C2_hP11_164_a_di_d:Mn-O-Re,44.0,AB8C2_hP11_164_a_di_d:Mn-O-Re +mp-560835,Pr10Se14O,-6.3514756981,-2.2835354202,0.0034709629,0.0034709629,GGA,I4_1/acd,AB10C14_tI200_142_a_f2g_e3g:O-Pr-Se,100.0,"Invalid WP multiplicities - AB10C14_tI200_142_a_6f14g_7e39g:O-Pr-Se, expected Pr68Se170O to be Pr10Se14O" +mp-1179933,PrSe4O11,-6.1055152906,-1.5318823225,0.0296633365,0.0296633365,GGA,P2_1/c,A11BC4_mP64_14_11e_e_4e:O-Pr-Se,64.0,A11BC4_mP64_14_11e_e_4e:O-Pr-Se +mp-4764,Pr2SeO2,-7.940109292,-3.34988921,0.0,-0.1035313384,GGA,P-3m1,A2B2C_hP5_164_d_d_a:O-Pr-Se,5.0,A2B2C_hP5_164_d_d_a:O-Pr-Se +mp-30192,Pr4Se3O4,-7.6011817827,-3.1104443011,0.0,-0.0650904738,GGA,Amm2,A4B4C3_oC22_38_abc_abc_ac:O-Pr-Se,11.0,"Invalid WP multiplicities - A4B4C3_oC22_38_ab2c_abc_a2c:O-Pr-Se, expected Pr4Se5O6 to be Pr4Se3O4" +mp-683974,Pr2(SeO3)3,-6.9026575276,-2.2905329316,0.0,-0.2138024984,GGA,P2_1/c,A9B2C3_mP168_14_27e_6e_9e:O-Pr-Se,168.0,"Invalid WP multiplicities - A9B2C3_mP168_14_105e_19e_33e:O-Pr-Se, expected Pr19(Se11O35)3 to be Pr2(SeO3)3" +mp-10925,Pr2Se2O,-7.0569203515,-2.7568557162,0.0025430344,0.0025430344,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-Pr-Se,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_2e_4e:O-Pr-Se, expected Pr2Se4O to be Pr2Se2O" +mp-1200382,Pr2Se3O16,-5.9325386344,-1.2088926666,0.3181292878,0.3181292878,GGA,P2_1/c,A16B2C3_mP84_14_16e_2e_3e:O-Pr-Se,84.0,A16B2C3_mP84_14_16e_2e_3e:O-Pr-Se +mp-19175,MnSe2O5,-6.6021989703,-1.4912887449,0.0061623781,-0.0258897619,GGA+U,C2/c,AB5C2_mC32_15_e_e2f_f:Mn-O-Se,32.0,AB5C2_mC32_15_e_e2f_f:Mn-O-Se +mp-17901,MnSe2O5,-6.6083613484,-1.497451123,0.0,-0.03205214,GGA+U,Pbcn,AB5C2_oP32_60_c_c2d_d:Mn-O-Se,32.0,AB5C2_oP32_60_c_c2d_d:Mn-O-Se +mp-1078664,Pr2Mn2Se2O3,-7.9856302078,-2.4614378541,0.0,-0.0285835378,GGA+U,I4/mmm,A2B3C2D2_tI18_139_c_ad_e_e:Mn-O-Pr-Se,9.0,A2B3C2D2_tI18_139_c_ad_e_e:Mn-O-Pr-Se +mp-1191616,MnSeO4,-6.6796655371,-1.2722186013,0.2540156171,0.251039019,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Mn-O-Se,24.0,AB4C_mP24_14_e_4e_e:Mn-O-Se +mp-1101913,MnSeO4,-6.6910944258,-1.28364749,0.2425867283,0.2396101302,GGA+U,Ama2,AB4C_oC24_40_b_2bc_b:Mn-O-Se,12.0,AB4C_oC24_40_b_2bc_b:Mn-O-Se +mp-22579,MnSeO4,-6.9298264758,-1.52237954,0.0038546783,0.0008780802,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Mn-O-Se,24.0,AB4C_oP24_62_a_2cd_c:Mn-O-Se +mp-817982,MnSeO4,-6.6909518175,-1.2835048817,0.2427293367,0.2397527385,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Mn-O-Se,24.0,AB4C_oP24_62_c_2cd_c:Mn-O-Se +mp-555327,MnSeO4,-6.9336811542,-1.5262342184,0.0,-0.0029765981,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Mn-O-Se,12.0,AB4C_oC24_63_a_fg_c:Mn-O-Se +mp-28669,Mn(SeO3)2,-6.5214475056,-1.428784115,0.0,-0.0262973794,GGA+U,P2_1/c,AB6C2_mP18_14_a_3e_e:Mn-O-Se,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_4e_e:Mn-O-Se, expected Mn(SeO4)2 to be Mn(SeO3)2" +mp-734053,MnSe3O8,-6.2539349071,-1.3186632892,0.0416727396,0.0416727396,GGA+U,P2_1/c,AB8C3_mP48_14_e_8e_3e:Mn-O-Se,48.0,AB8C3_mP48_14_e_8e_3e:Mn-O-Se +mp-773071,Mn3(SeO3)4,-6.8262470303,-1.5194072239,0.0435713686,0.0435713686,GGA+U,P-1,A3B12C4_aP38_2_ab2i_12i_4i:Mn-O-Se,38.0,"Invalid WP multiplicities - A3B12C4_aP38_2_ab3i_23i_7i:Mn-O-Se, expected Mn4Se7O23 to be Mn3(SeO3)4" +mp-1199914,MnSeO3,-7.1503866485,-1.6507880678,0.000855243,-0.0392690036,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-Se,40.0,AB3C_mP40_14_2e_6e_2e:Mn-O-Se +mp-1202364,MnSeO3,-7.1512418915,-1.6516433108,0.0,-0.0401242466,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-Se,40.0,AB3C_mP40_14_2e_6e_2e:Mn-O-Se +mp-22224,MnSeO3,-7.130987467,-1.6313888863,0.0202544245,-0.0198698221,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Se,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Se +mp-28915,Mn3Se3O10,-7.0985262378,-1.633484524,0.0,-0.0244634263,GGA+U,C2/m,A3B10C3_mC64_12_efi_4i3j_3i:Mn-O-Se,32.0,A3B10C3_mC64_12_efi_4i3j_3i:Mn-O-Se +mp-1198766,MnSe2O9,-5.9192954113,-0.8631256905,0.2084623957,0.2084623957,GGA+U,P2_1/c,AB9C2_mP48_14_e_9e_2e:Mn-O-Se,48.0,AB9C2_mP48_14_e_9e_2e:Mn-O-Se +mp-1193336,MnSeO5,-6.2939634846,-0.9523391524,0.3558616063,0.3558616063,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Mn-O-Se,28.0,AB5C_mP28_14_e_5e_e:Mn-O-Se +mp-1103909,MnSeO5,-6.5961399,-1.2545155677,0.0536851909,0.0536851909,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Mn-O-Se,14.0,AB5C_mC28_15_a_e2f_e:Mn-O-Se +mp-1239063,MnSeO5,-6.3862421229,-1.0446177906,0.263582968,0.263582968,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Mn-O-Se,14.0,AB5C_mC28_15_c_e2f_e:Mn-O-Se +mp-776755,Mn5(SeO3)8,-6.6199984747,-1.4173526004,0.0803421923,0.0803421923,GGA+U,P-1,A5B24C8_aP74_2_5i_24i_8i:Mn-O-Se,74.0,"Invalid WP multiplicities - A5B24C8_aP74_2_9i_48i_12i:Mn-O-Se, expected Mn3(SeO4)4 to be Mn5(SeO3)8" +mp-1199155,Mn4Se4O15,-6.7822463948,-1.3547664927,0.2087721798,0.2087721798,GGA+U,P2_1,A4B15C4_mP46_4_4a_15a_4a:Mn-O-Se,46.0,A4B15C4_mP46_4_4a_15a_4a:Mn-O-Se +mp-1197378,Mn2(SeO4)3,-6.2064384397,-1.0198484661,0.2752375543,0.2752375543,GGA+U,P2_1/c,A2B12C3_mP68_14_ace_12e_3e:Mn-O-Se,68.0,A2B12C3_mP68_14_ace_12e_3e:Mn-O-Se +mp-1219104,SmCoSi4,-5.7991747433,-0.2111454017,0.31232945,0.31232945,GGA,P6/mmm,AB4C_hP6_191_a_h_b:Co-Si-Sm,6.0,AB4C_hP6_191_a_h_b:Co-Si-Sm +mp-1219279,Sm6Co2Si3,-5.7607077159,-0.4148798532,0.0947386905,0.0947386905,GGA,Pm,A2B3C6_mP22_6_2ac_2a4b_6a6b:Co-Si-Sm,22.0,A2B3C6_mP22_6_2ac_2a4b_6a6b:Co-Si-Sm +mp-15968,Sm(CoSi)2,-6.720143558,-0.7629720010000001,0.0,-0.1254262945,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Sm +mp-1019108,SmCoSi,-6.426387085,-0.6756464317,0.0,-0.0382737304,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Si-Sm,6.0,ABC_tP6_129_a_c_c:Co-Si-Sm +mp-1208836,Sm5(SiB4)2,-6.4548962747,-0.5963162146000001,0.0157321072,0.0157321072,GGA,P4/mbm,A8B2C5_tP30_127_egi_h_bk:B-Si-Sm,30.0,A8B2C5_tP30_127_egi_h_bk:B-Si-Sm +mp-972659,SmCoSi3,-6.248741426,-0.628169822,0.0,-0.038068512,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Si-Sm,5.0,AB3C_tI10_107_a_ab_a:Co-Si-Sm +mp-16086,Sm3Co29(Si2B5)2,-7.115594765,-0.4027216283,0.0,-0.0136320376,GGA,P4/nmm,A10B29C4D3_tP92_129_2cij_c3i2jk_i_ae:B-Co-Si-Sm,92.0,"Invalid WP multiplicities - A10B29C4D3_tP92_129_2ci2j_c9i2j5k_i_ae:B-Co-Si-Sm, expected Sm3Co85(Si2B7)2 to be Sm3Co29(Si2B5)2" +mp-1212222,Sm4Co10Si,-5.729550321,0.6293057137,0.8387086662000001,0.8387086662000001,GGA,I4_1/amd,A10BC4_tI60_141_ci_a_h:Co-Si-Sm,30.0,A10BC4_tI60_141_ci_a_h:Co-Si-Sm +mp-13478,SmCoSi2,-6.407011635,-0.7376266375,0.0,-0.031700424,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-Sm,8.0,AB2C_oC16_63_c_2c_c:Co-Si-Sm +mp-567852,SmCo9Si4,-6.9219745564,-0.4652089557,0.0,-0.00690353,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Co-Si-Sm,28.0,"Invalid WP multiplicities - A9B4C_tI56_140_2d3k4l_l_a:Co-Si-Sm, expected Sm(Co15Si2)2 to be SmCo9Si4" +mp-17623,SmCo9Si2,-6.9174600658,-0.2887865367,0.0291184637,0.0291184637,GGA,I4_1/amd,A9B2C_tI48_141_ai_c_b:Co-Si-Sm,24.0,"Invalid WP multiplicities - A9B2C_tI48_141_2ai_c_b:Co-Si-Sm, expected Sm(Co5Si)2 to be SmCo9Si2" +mp-1019612,Cs4ZnO3,-3.8827734412,-1.4225960372,0.0,-0.0190439208,GGA,P2_1/c,A4B3C_mP32_14_4e_3e_e:Cs-O-Zn,32.0,A4B3C_mP32_14_4e_3e_e:Cs-O-Zn +mp-1214991,Cs2ZnSi5O12,-7.4772735118,-3.0004033598,0.0,-0.0450243064,GGA,Pbca,A2B12C5D_oP160_61_2c_12c_5c_c:Cs-O-Si-Zn,160.0,A2B12C5D_oP160_61_2c_12c_5c_c:Cs-O-Si-Zn +mp-504601,Cs2ZnO2,-4.1210360768,-1.5322509214,0.0,-0.0358670398,GGA,P2_1/c,A2B2C_mP40_14_4e_4e_2e:Cs-O-Zn,40.0,"Invalid WP multiplicities - A2B2C_mP40_14_13e_13e_5e:Cs-O-Zn, expected Cs13Zn5O13 to be Cs2ZnO2" +mp-1106155,Ca2MnReO6,-8.186906568,-2.6571191175,0.0,-0.0096511569,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mn-O-Re,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mn-O-Re +mp-1080777,Pr2Fe2Se2O3,-7.6487790233,-2.2783631323,0.025389835,0.025389835,GGA+U,I4/mmm,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Pr-Se,9.0,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Pr-Se +mp-1102652,EuMgSi,-6.1961190275,-0.4352524008,0.0,-0.0459245259,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Mg-Si,12.0,ABC_oP12_62_c_c_c:Eu-Mg-Si +mp-1199980,Eu3(MgSi)5,-5.4517769679,-0.3826234448,0.0,-0.0360906362,GGA,Pnma,A3B5C5_oP52_62_3c_5c_5c:Eu-Mg-Si,52.0,A3B5C5_oP52_62_3c_5c_5c:Eu-Mg-Si +mp-982662,Eu2MgSi2O7,-8.9829790629,-3.3503340055,0.0,-0.0418415008,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Eu-Mg-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_2ce2f_e:Eu-Mg-O-Si, expected Eu2Mg(SiO6)2 to be Eu2MgSi2O7" +mp-1025189,Tb2Re2Si2C,-8.3483232286,-0.6001677825,0.0,-0.0408005129,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Tb,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Tb +mp-569505,TbRe2SiC,-9.302960447,-0.4674796485,0.0,-0.0386278485,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Tb +mp-1203495,Tb2Re3Si5,-7.9326293417,-0.5597389512000001,0.0,-0.0660258487,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Re-Si-Tb,40.0,A3B5C2_tP40_128_dh_egh_h:Re-Si-Tb +mp-972246,Tb2ReC2,-8.437623162,-0.403505088,0.0,-0.0788099313,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Re-Tb,20.0,A2BC2_oP20_62_2c_c_2c:C-Re-Tb +mp-1204651,Tb12(ReC3)5,-8.3616276825,-0.3533460727,0.0052460562,0.0052460562,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Re-Tb,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Re-Tb +mp-758848,Ti5NbO12,-9.4248667661,-3.3726984518,0.0331585853,0.0331585853,GGA,C2/m,AB12C5_mC36_12_c_g3ij_a2i:Nb-O-Ti,18.0,"Invalid WP multiplicities - AB12C5_mC36_12_c_2g6i2j_b3i:Nb-O-Ti, expected Ti7NbO24 to be Ti5NbO12" +mp-1216833,TiNbSbO6,-8.5887550522,-2.8325405451,0.0176089442,0.0176089442,GGA,P-1,AB6CD_aP18_2_i_6i_i_i:Nb-O-Sb-Ti,18.0,"Invalid WP multiplicities - AB6CD_aP18_2_i_12i_i_i:Nb-O-Sb-Ti, expected TiNbSbO12 to be TiNbSbO6" +mp-29699,TiNb3O6,-9.6922605025,-2.9043065621,0.0,-0.0686989389,GGA,R-3,A3B6C_hR60_148_f_2f_c:Nb-O-Ti,20.0,A3B6C_hR60_148_f_2f_c:Nb-O-Ti +mp-771652,Ti2Sb2O7,-7.966475095,-2.6323107775,0.0747275764,0.0747275764,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Sb-Ti,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:O-Sb-Ti, expected Ti7Sb7O27 to be Ti2Sb2O7" +mp-758324,Ti5Nb2O14,-9.44235342,-3.3026528428,0.0341833276,0.0341833276,GGA,Cmmm,A2B14C5_oC84_65_2k_gj3n3o_ack3l:Nb-O-Ti,42.0,"Invalid WP multiplicities - A2B14C5_oC84_65_4k_2g2j11n9o_ack6l:Nb-O-Ti, expected Ti2NbO11 to be Ti5Nb2O14" +mp-759307,TiNb2O7,-9.442896678,-3.1704043705,0.0049213438,0.0049213438,GGA,P1,A2B7C_aP60_1_12a_42a_6a:Nb-O-Ti,60.0,A2B7C_aP60_1_12a_42a_6a:Nb-O-Ti +mp-758243,TiNb2O7,-9.4263026937,-3.1538103861,0.0215153281,0.0215153281,GGA,Cm,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti,30.0,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti +mp-1216971,TiNb2O7,-9.4402003403,-3.1677080328,0.0076176815,0.0076176815,GGA,Cm,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti,30.0,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti +mp-1217062,TiNb2O7,-9.4390577127,-3.1665654051,0.0087603091,0.0087603091,GGA,Cm,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti,30.0,A2B7C_mC60_8_6a_21a_3a:Nb-O-Ti +mp-758428,Ti3NbO8,-9.4356055383,-3.32216464,0.0353777904,0.0353777904,GGA,P-1,AB8C3_aP24_2_i_8i_ac2i:Nb-O-Ti,24.0,"Invalid WP multiplicities - AB8C3_mC48_12_i_8i6j_2e2gi:Nb-O-Ti, expected Ti5NbO20 to be Ti3NbO8" +mp-1217129,Ti3NbO8,-9.4377986117,-3.3243577133,0.0331847171,0.0331847171,GGA,P2/m,AB8C3_mP12_10_a_2m2n_cn:Nb-O-Ti,12.0,"Invalid WP multiplicities - AB8C3_mP12_10_a_3m3n_cn:Nb-O-Ti, expected Ti3NbO12 to be Ti3NbO8" +mp-1101284,Ti3NbO8,-9.4337778008,-3.3203369025,0.0372055279,0.0372055279,GGA,C2/m,AB8C3_mC48_12_i_4i2j_egi:Nb-O-Ti,24.0,"Invalid WP multiplicities - AB8C3_mC48_12_i_8i6j_2e2hi:Nb-O-Ti, expected Ti5NbO20 to be Ti3NbO8" +mp-776082,Ti3NbO8,-9.3724536854,-3.2590127871,0.0985296433,0.0985296433,GGA,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Nb-O-Ti,24.0,"Invalid WP multiplicities - AB8C3_hP24_186_b_a2b9c_c:Nb-O-Ti, expected Ti3NbO30 to be Ti3NbO8" +mp-1208396,Ti2Nb2Sb3O14,-8.2195384862,-2.61790802,0.0876972135,0.0876972135,GGA,C2/c,A2B14C3D2_mC84_15_f_7f_ef_f:Nb-O-Sb-Ti,42.0,A2B14C3D2_mC84_15_f_7f_ef_f:Nb-O-Sb-Ti +mp-1099073,Ti15NbO32,-9.438292249,-3.4627146646,0.0035356307,0.0035356307,GGA,P-4m2,AB32C15_tP48_115_a_ef2g2j2kl_bgijk:Nb-O-Ti,48.0,"Invalid WP multiplicities - AB32C15_tP48_115_a_2e2f4g6j6k2l_bgi3j3k:Nb-O-Ti, expected Ti31NbO80 to be Ti15NbO32" +mp-771317,Ti5Sb5O17,-7.9403101926,-2.5989704009,0.1041087596,0.1041087596,GGA,Pc,A17B5C5_mP54_7_17a_5a_5a:O-Sb-Ti,54.0,"Invalid WP multiplicities - A17B5C5_mP54_7_34a_9a_10a:O-Sb-Ti, expected Ti10Sb9O34 to be Ti5Sb5O17" +mp-756350,TiNbO4,-9.4676691578,-3.1704105075,0.0421881031,0.0421881031,GGA,Cm,AB4C_mC36_8_3a_6a3b_3a:Nb-O-Ti,18.0,"Invalid WP multiplicities - AB4C_mC36_8_3a_6a5b_3a:Nb-O-Ti, expected Ti3Nb3O16 to be TiNbO4" +mp-1216686,TiNbO4,-9.47286444,-3.1756057897,0.0369928208,0.0369928208,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Nb-O-Ti,6.0,AB4C_oC12_65_a_gj_c:Nb-O-Ti +mp-755302,TiNbO4,-9.455486925,-3.1582282747,0.0543703358,0.0543703358,GGA,I-4m2,AB4C_tI12_119_a_ef_c:Nb-O-Ti,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Nb-O-Ti, expected TiNbO8 to be TiNbO4" +mp-1022651,Mg6ZnFe,-2.2875278869,0.1289027531,0.1757041752,0.1757041752,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Zn, expected Mg12ZnFe to be Mg6ZnFe" +mp-1099270,Mg6ZnFe,-2.28816742,0.12826322,0.175064642,0.175064642,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:Fe-Mg-Zn +mp-1028021,Mg14ZnFe,-1.9024493331,0.1059060119,0.1425377148,0.1425377148,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Zn, expected Mg18ZnFe to be Mg14ZnFe" +mp-1027981,Mg14ZnFe,-1.9062489875,0.1021063575,0.1387380604,0.1387380604,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Zn, expected Mg26ZnFe to be Mg14ZnFe" +mp-2232170,MgZn2(FeS2)4,-5.4226985667,-0.683268497,0.2966947394,0.2966947394,GGA,R-3m,A4BC8D2_hR45_166_ad_b_ch_c:Fe-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_hR45_166_a2d_b_2c3h_c:Fe-Mg-S-Zn, expected MgZn2Fe7S22 to be MgZn2(FeS2)4" +mp-2232506,MgZn2(FeS2)4,-5.229928302,-0.4904982323,0.4894650041,0.4894650041,GGA,F-43m,A4BC8D2_cF60_216_e_a_2e_bc:Fe-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_cF60_216_e_a_5e_bc:Fe-Mg-S-Zn, expected MgZn2(FeS5)4 to be MgZn2(FeS2)4" +mp-1221929,MgZnS2,-4.1336044675,-1.3503736191,0.0199687289,0.0199687289,GGA,P-4m2,AB2C_tP4_115_a_g_c:Mg-S-Zn,4.0,AB2C_tP4_115_a_g_c:Mg-S-Zn +mp-1221971,MgZn3S4,-3.9441685162,-1.2035047228,0.0132321584,0.0132321584,GGA,Pm,AB4C3_mP8_6_a_2a2b_a2b:Mg-S-Zn,8.0,AB4C3_mP8_6_a_2a2b_a2b:Mg-S-Zn +mp-1221968,MgZn3S4,-3.709442885,-0.9687790916,0.2479577896,0.2479577896,GGA,C2/m,AB4C3_mC16_12_a_2i_di:Mg-S-Zn,8.0,"Invalid WP multiplicities - AB4C3_mC16_12_a_2i_c2i:Mg-S-Zn, expected MgZn5S4 to be MgZn3S4" +mp-1120718,MgZn3S4,-3.9444655412,-1.2038017478,0.0129351334,0.0129351334,GGA,P-43m,AB4C3_cP8_215_a_e_c:Mg-S-Zn,8.0,AB4C3_cP8_215_a_e_c:Mg-S-Zn +mp-1028202,Mg14AlZn,-1.7138910437,-0.000813535,0.0381271977,0.0381271977,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Zn, expected Mg18AlZn to be Mg14AlZn" +mp-1028199,Mg14AlZn,-1.7158224125,-0.0027449037,0.036195829,0.036195829,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Zn, expected Mg26AlZn to be Mg14AlZn" +mp-1038312,Mg30AlZnO32,-6.2789036069,-2.9772198616,0.0511975877,0.0511975877,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Zn, expected Mg110AlZnO72 to be Mg30AlZnO32" +mp-1038353,Mg30AlZnO32,-6.2817362795000005,-2.9800525342,0.048364915,0.048364915,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Zn, expected Mg90AlZnO80 to be Mg30AlZnO32" +mp-1036610,Mg14AlZnO16,-6.2407664994,-2.9108833894,0.0919112097,0.0919112097,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Zn, expected Mg18AlZnO20 to be Mg14AlZnO16" +mp-1036614,Mg14AlZnO16,-6.2290427269,-2.8991596169,0.1036349822,0.1036349822,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Zn, expected Mg30AlZnO32 to be Mg14AlZnO16" +mp-1023483,Mg6AlZn,-1.8150982912,0.0107766762,0.0614202698,0.0614202698,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Zn, expected Mg12AlZn to be Mg6AlZn" +mp-1023485,Mg6AlZn,-1.8116826175,0.01419235,0.0648359435,0.0648359435,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Zn, expected Mg12AlZn to be Mg6AlZn" +mp-1185721,Mg16Al12Zn,-2.502913681,-0.0266676683,0.0063222149,0.0063222149,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Zn,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Zn, expected Mg26Al20Zn to be Mg16Al12Zn" +mp-1185719,Mg16Al12Zn,-2.4988612455,-0.0226152328,0.0103746504,0.0103746504,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Zn,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-Zn, expected Mg58Al39Zn to be Mg16Al12Zn" +mp-1185720,Mg16Al12Zn,-2.4925505248,-0.0163045121,0.0166853711,0.0166853711,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Zn,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Zn, expected Mg48Al12Zn to be Mg16Al12Zn" +mp-1222169,Mg2Al4Zn3,-2.3571417233,0.0830909711,0.1558851655,0.1558851655,GGA,P-3m1,A4B2C3_hP18_164_abi_2d_i:Al-Mg-Zn,18.0,A4B2C3_hP18_164_abi_2d_i:Al-Mg-Zn +mp-1189454,Mg2Al4Zn3,-2.4052361589,0.0349965356,0.1077907299,0.1077907299,GGA,P6_3/mmc,A4B2C3_hP18_194_ef_f_h:Al-Mg-Zn,18.0,A4B2C3_hP18_194_ef_f_h:Al-Mg-Zn +mp-1185781,Mg17Al11Zn,-2.4316081507,-0.0293378545,0.0041829465,0.0041829465,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Zn,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Zn, expected Mg27Al19Zn to be Mg17Al11Zn" +mp-1204993,Mg19Al4Zn15,-1.7662017887,-0.0745234092,0.0267731866,0.0267731866,GGA,Cmcm,A4B19C15_oC152_63_h_c3f2g2h_aefg2h:Al-Mg-Zn,76.0,A4B19C15_oC152_63_h_c3f2g2h_aefg2h:Al-Mg-Zn +mp-1222218,Mg4AlZn11,-1.4505293569,0.0497128769,0.1515085804,0.1515085804,GGA,Amm2,AB4C11_oC32_38_a_2c_a3cf:Al-Mg-Zn,16.0,"Invalid WP multiplicities - AB4C11_oC32_38_a_2c_a4c2f:Al-Mg-Zn, expected Mg4AlZn17 to be Mg4AlZn11" +mp-1033104,Mg6AlZnO8,-6.1020131187,-2.7157312794,0.2358176194,0.2358176194,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Zn, expected Mg6AlZnO12 to be Mg6AlZnO8" +mp-1033130,Mg6AlZnO8,-6.1423435706,-2.7560617312,0.1954871675,0.1954871675,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Zn, expected Mg6AlZnO12 to be Mg6AlZnO8" +mp-1113068,Cs2ScInI6,-3.448794627,-1.4772790591,0.0,-0.032106365,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Sc +mp-1110895,K2NaCeCl6,-4.439006794,-2.3822435638,0.06045801,0.06045801,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Na +mp-1114042,KRb2EuCl6,-4.715089642,-2.2731207568,0.047304985,0.047304985,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Eu-K-Rb +mp-1113307,Rb2CeCuF6,-5.434584613,-3.0883608355,0.1244366928,0.1244366928,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Cu-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Cu-F-Rb +mp-1110865,K2LiSbCl6,-3.782240364,-1.8472461679,0.0393652192,0.0393652192,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sb +mp-1211516,KSm2Cl7,-5.0227706175,-2.6740378338,0.0,-0.0587005211,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-K-Sm,40.0,A7BC2_mP40_14_7e_e_2e:Cl-K-Sm +mp-1211774,K2SmCl5,-4.5706973484,-2.5479389323,0.0,-0.0298274456,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Sm,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-Sm +mp-1110878,K3SmCl6,-4.321309906,-2.4072096124,0.0827883818,0.0827883818,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Sm,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Sm +mp-568044,KSm2Cl5,-4.7945388456,-2.320757031,0.1024223385,0.1024223385,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-K-Sm,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_15e_e_6e:Cl-K-Sm, expected KSm6Cl15 to be KSm2Cl5" +mp-1114033,KRb2SmCl6,-4.341001808,-2.4528744893,0.0393272999999999,0.0393272999999999,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Sm +mp-1112343,Cs2TlPdF6,-4.392047284,-2.3118269334,0.034503101,0.034503101,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pd-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pd-Tl +mp-998786,TlPdF3,-4.351736202,-1.6963438302,0.0,-0.0161510195,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Pd-Tl,5.0,A3BC_cP5_221_c_b_a:F-Pd-Tl +mp-1110610,Rb2CrAgF6,-5.330796033,-2.7392414907,0.0,-0.0096827178,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-Rb +mp-504603,Cs2TlFeF6,-5.138566924,-2.7293326334,0.0,-0.0234371955,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Tl +mp-5088,NaGdO2,-9.4031022988,-3.0800960598,0.0,-0.0970872321,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Gd-Na-O,8.0,ABC2_tI16_141_a_b_e:Gd-Na-O +mp-780360,Na8Gd2O7,-6.4415642525,-2.1263132051,0.0849459975,0.0849459975,GGA,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Gd-Na-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:Gd-Na-O, expected Na31Gd3O27 to be Na8Gd2O7" +mp-755870,Na5GdO4,-6.0739062935,-2.0263559383,0.06905835,0.06905835,GGA,Pmn2_1,AB5C4_oP20_31_a_a2b_2ab:Gd-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_31_a_2a4b_4a2b:Gd-Na-O, expected Na10GdO8 to be Na5GdO4" +mp-755832,Na5GdO4,-6.1026883265,-2.0551379713,0.040276317,0.040276317,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Gd-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:Gd-Na-O, expected Na14GdO10 to be Na5GdO4" +mp-779773,Na5GdO4,-6.0509181431,-2.0033677879,0.0920465004,0.0920465004,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Gd-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Gd-Na-O, expected Na17GdO13 to be Na5GdO4" +mp-780173,Na5GdO4,-6.1173928423,-2.069842487,0.0255718012,0.0255718012,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Gd-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Gd-Na-O, expected Na17GdO13 to be Na5GdO4" +mp-780241,Na5GdO4,-6.0777966072,-2.030246252,0.0651680363,0.0651680363,GGA,P4_2/nmc,AB5C4_tP80_137_g_abd2fh_2gh:Gd-Na-O,80.0,"Invalid WP multiplicities - AB5C4_tP80_137_g_2a2b3d6f8h_12g3h:Gd-Na-O, expected Na49Gd2O36 to be Na5GdO4" +mp-676300,Sc3NbO7,-9.3153587445,-3.5221284415,0.1733388403,0.1733388403,GGA,P2/c,AB7C3_mP22_13_f_e3g_ag:Nb-O-Sc,22.0,"Invalid WP multiplicities - AB7C3_mP22_13_e_2f11g_ag:Nb-O-Sc, expected Sc3NbO24 to be Sc3NbO7" +mp-1173397,Sc3NbO7,-9.3863906264,-3.5931603233,0.1023069585,0.1023069585,GGA,P2/c,AB7C3_mP22_13_f_e3g_ag:Nb-O-Sc,22.0,"Invalid WP multiplicities - AB7C3_mP22_13_e_2f11g_ag:Nb-O-Sc, expected Sc3NbO24 to be Sc3NbO7" +mp-676191,Sc11Nb3O24,-9.4705022303,-3.7157231686,0.0158005258,0.0158005258,GGA,P1,A3B24C11_aP38_1_3a_24a_11a:Nb-O-Sc,38.0,A3B24C11_aP38_1_3a_24a_11a:Nb-O-Sc +mp-530728,Sc11Nb3O24,-9.4687872062,-3.7140081445,0.0175155499,0.0175155499,GGA,P1,A3B24C11_aP76_1_6a_48a_22a:Nb-O-Sc,76.0,A3B24C11_aP76_1_6a_48a_22a:Nb-O-Sc +mp-31121,HoScO3,-9.11987672,-3.9688878983,0.0366798722,0.0366798722,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ho-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Ho-O-Sc +mp-1224028,Ho2ScNbO7,-9.1783232264,-3.7032856933,0.0674763856,0.0674763856,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Ho-Nb-O-Sc,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e4j_d:Ho-Nb-O-Sc, expected Ho2ScNbO21 to be Ho2ScNbO7" +mp-13840,Ho3ScO6,-8.9995864455,-4.0236036473,0.0,-0.0054063487,GGA,R-3,A3B6C_hR60_148_f_2f_ab:Ho-O-Sc,20.0,A3B6C_hR60_148_f_2f_ab:Ho-O-Sc +mp-553961,ScNbO4,-9.5038648342,-3.4671100025,0.0,-0.0401300938,GGA,P2/c,AB4C_mP12_13_e_2g_f:Nb-O-Sc,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_4g_f:Nb-O-Sc, expected ScNbO8 to be ScNbO4" +mp-3144,HoNbO4,-9.320168795,-3.5750906692,0.0,-0.1235945286,GGA,C2/c,ABC4_mC24_15_e_e_2f:Ho-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Ho-Nb-O +mp-1078915,Ba3CaO4,-6.2606516587,-2.8169917156,0.12788131,0.12788131,GGA,Pm-3m,A3BC4_cP8_221_c_a_bd:Ba-Ca-O,8.0,A3BC4_cP8_221_c_a_bd:Ba-Ca-O +mp-1183285,BaCaO3,-6.033683868,-2.2807556773,0.344531054,0.344531054,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Ca-O,5.0,ABC3_cP5_221_a_b_c:Ba-Ca-O +mp-1228990,BaCa2Tm10O18,-8.3660569531,-3.8586722519,0.0531434722,0.0531434722,GGA,P1,AB2C18D10_aP62_1_2a_4a_36a_20a:Ba-Ca-O-Tm,62.0,AB2C18D10_aP62_1_2a_4a_36a_20a:Ba-Ca-O-Tm +mp-756930,BaCaO2,-6.465833465,-3.0113454044,0.0541217925,0.0541217925,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ba-Ca-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_3c:Ba-Ca-O, expected BaCaO3 to be BaCaO2" +mp-1018097,BaCaO2,-6.3204689475,-2.8659808869,0.19948631,0.19948631,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ba-Ca-O,4.0,ABC2_tP4_123_a_d_bc:Ba-Ca-O +mp-1019541,BaCa3O4,-6.4699385750000005,-3.0046223969,0.1814389713,0.1814389713,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Ba-Ca-O,8.0,AB3C4_cP8_221_a_c_bd:Ba-Ca-O +mp-1095679,Cu2BrO3,-4.7605363917,-0.6619517577,0.0708694347,0.0708694347,GGA,P2_1/m,AB2C3_mP12_11_e_ae_ef:Br-Cu-O,12.0,AB2C3_mP12_11_e_ae_ef:Br-Cu-O +mp-1213509,Cu(BrO6)2,-4.0575311892,0.3801706685,0.5968279975,0.5968279975,GGA,Pa-3,A2BC12_cP60_205_c_a_2d:Br-Cu-O,60.0,A2BC12_cP60_205_c_a_2d:Br-Cu-O +mp-676499,Cu6PbO8,-5.3267646667,-0.8013382147,0.2367621893,0.2135057023,GGA,Immm,A6B8C_oI30_71_ack_efl_b:Cu-O-Pb,15.0,"Invalid WP multiplicities - A6B8C_oI30_71_ac2k_2e2fl_b:Cu-O-Pb, expected Cu10PbO12 to be Cu6PbO8" +mp-22037,Cu6PbO8,-5.3083336007,-0.7829071487,0.2551932553,0.2319367683,GGA,Fm-3m,A6B8C_cF60_225_d_ce_a:Cu-O-Pb,15.0,"Invalid WP multiplicities - A6B8C_cF60_225_d_2c2e_a:Cu-O-Pb, expected Cu6PbO16 to be Cu6PbO8" +mp-559633,Cu6PbO8,-5.563526856,-1.038100404,0.0,-0.023256487,GGA,Fm-3m,A6B8C_cF60_225_d_f_a:Cu-O-Pb,15.0,A6B8C_cF60_225_d_f_a:Cu-O-Pb +mp-997023,CuBrO2,-4.336632485,-0.4502293794,0.1574112735,0.1574112735,GGA,P1,ABC2_aP8_1_2a_2a_4a:Br-Cu-O,8.0,ABC2_aP8_1_2a_2a_4a:Br-Cu-O +mp-996993,CuBrO2,-4.4632699425,-0.5768668369000001,0.030773816,0.030773816,GGA,C2/m,ABC2_mC8_12_a_d_i:Br-Cu-O,4.0,ABC2_mC8_12_a_c_i:Br-Cu-O +mp-997011,CuBrO2,-4.307730115,-0.4213270094,0.1863136435,0.1863136435,GGA,C222_1,ABC2_oC16_20_a_b_c:Br-Cu-O,8.0,ABC2_oC16_20_a_b_c:Br-Cu-O +mp-1096943,CuBrO2,-4.42935427,-0.5429511644,0.0646894885,0.0646894885,GGA,R-3m,ABC2_hR12_166_a_b_c:Br-Cu-O,4.0,ABC2_hR12_166_a_b_c:Br-Cu-O +mp-1202343,Cu(BrO4)2,-4.3708389057,-0.1182231766,0.1772186357,0.1772186357,GGA,Pbca,A2BC8_oP44_61_c_a_4c:Br-Cu-O,44.0,A2BC8_oP44_61_c_a_4c:Br-Cu-O +mp-1097010,CuPbO2,-5.5860988162,-1.1597910256,0.0467808335,0.0467808335,GGA,Imma,AB2C_oI16_74_a_g_e:Cu-O-Pb,8.0,AB2C_oI16_74_a_g_e:Cu-O-Pb +mp-1147565,CuPb2(BrO)2,-4.5321706682,-1.0287513979,0.2733984473,0.2733984473,GGA,Pmma,A2BC2D2_oP14_51_ef_e_g_ef:Br-Cu-O-Pb,28.0,"Invalid WP multiplicities - A2BC2D2_oP14_51_2e3f_e_g_2e3f:Br-Cu-O-Pb, expected CuPb5Br5O2 to be CuPb2(BrO)2" +mp-1184117,CuPbO3,-5.448978686,-0.9185947113,0.2507031045,0.2507031045,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Pb,5.0,AB3C_cP5_221_b_c_a:Cu-O-Pb +mp-1096790,CuPbBr3,-3.061815378,-0.567627632,0.4657944495,0.4657944495,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:Br-Cu-Pb,10.0,A3BC_tI20_140_ah_b_c:Br-Cu-Pb +mp-29396,Cu2PbO2,-5.34244191,-0.9815543435,0.0,-0.0067115702,GGA,C2/c,A2B2C_mC20_15_ac_f_e:Cu-O-Pb,10.0,A2B2C_mC20_15_ac_f_e:Cu-O-Pb +mp-1521453,Sr2PrGeO6,-7.0543933642,-2.8080880858,0.1650568933,0.1650568933,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Ge-O-Pr-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Ge-O-Pr-Sr +mp-1521474,Sr2PrGeO6,-7.029451361,-2.7831460826,0.1899988965,0.1899988965,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ge-O-Pr-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ge-O-Pr-Sr +mp-1111844,Rb2CeAgF6,-5.340711364,-3.1211526532,0.058826436,0.058826436,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-F-Rb +mp-3257,KAuSe5,-3.7964335446,-0.6730280682,0.0012265068,0.0012265068,GGA,Ibam,ABC5_oI56_72_f_ad_j2k:Au-K-Se,28.0,ABC5_oI56_72_f_ad_j2k:Au-K-Se +mp-1223442,KSnAuSe3,-3.9720669692,-0.8251357633,0.0,-0.0284181975,GGA,P4cc,ABC3D_tP48_103_d_2a2b_3d_2c:Au-K-Se-Sn,48.0,ABC3D_tP48_103_d_2a2b_3d_2c:Au-K-Se-Sn +mp-29138,KAuSe2,-3.6663518187,-0.8223258432,0.0,-0.0193484044,GGA,P4/mbm,ABC2_tP8_127_c_b_g:Au-K-Se,8.0,ABC2_tP8_127_c_b_g:Au-K-Se +mp-570936,K(SnAu)3,-3.5641150036,-0.284006359,0.0,-0.0226744993,GGA,Pmmn,A3BC3_oP14_59_ae_b_ae:Au-K-Sn,14.0,"Invalid WP multiplicities - A3BC3_oP14_59_a2e_b_ae:Au-K-Sn, expected KSn3Au5 to be K(SnAu)3" +mp-1201536,K12Sn4Au21,-2.9981076955,-0.3463618365,0.0,-0.023030195,GGA,Pmmn,A21B12C4_oP74_59_ac2ef3g_ab2efg_ef:Au-K-Sn,74.0,A21B12C4_oP74_59_ac2ef3g_ab2efg_ef:Au-K-Sn +mp-18500,K3Sn4Au,-3.174364095,-0.3439433124,0.0,-0.0620757608,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-K-Sn,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_be_2ef:Au-K-Sn, expected K3Sn6Au to be K3Sn4Au" +mp-28606,K3AuSe13,-3.8155180347,-0.7536399141,0.0,-0.1008431384,GGA,P2/c,AB3C13_mP34_13_a_fg_e6g:Au-K-Se,34.0,"Invalid WP multiplicities - AB3C13_mP34_13_a_e2g_f11g:Au-K-Se, expected K5AuSe23 to be K3AuSe13" +mp-30402,K(SnAu2)2,-3.4225746279,-0.247564534,0.0110573649,0.0110573649,GGA,I-4c2,A4BC2_tI28_120_i_a_h:Au-K-Sn,14.0,A4BC2_tI28_120_i_a_h:Au-K-Sn +mp-1195947,K23(Sn3Au4)3,-2.6118217518,-0.3183693319,0.0,-0.042824016,GGA,I-42m,A12B23C9_tI88_121_ij_bdi2j_afi:Au-K-Sn,44.0,A12B23C9_tI88_121_ij_bdi2j_afi:Au-K-Sn +mp-570068,K(Sn3Au2)2,-3.7168817182,-0.2383946203,0.0,-0.0211780746,GGA,Fddd,A4BC6_oF88_70_2e_a_fh:Au-K-Sn,22.0,"Invalid WP multiplicities - A4BC6_oF88_70_5e_a_3f4h:Au-K-Sn, expected K(Sn11Au5)2 to be K(Sn3Au2)2" +mp-15571,K3AuSe2,-3.4057548517000003,-1.1396045523,0.0,-0.061097535,GGA,R-3c,AB3C2_hR36_167_b_e_c:Au-K-Se,12.0,AB3C2_hR36_167_b_e_c:Au-K-Se +mp-9881,KAuSe,-3.52982603,-0.9030952218,0.0,-0.0591843313,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-K-Se,6.0,ABC_oC12_63_a_c_c:Au-K-Se +mp-1215439,ZnGaPSe,-3.9492680425,-0.6500046383,0.0306990025,0.0306990025,GGA,R3m,ABCD_hR12_160_a_a_a_a:Ga-P-Se-Zn,4.0,ABCD_hR12_160_a_a_a_a:Ga-P-Se-Zn +mp-1022057,Mg6CoB,-2.4994809588,0.4241927745,0.5247121881,0.5247121881,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Co-Mg, expected Mg12CoB to be Mg6CoB" +mp-1022088,Mg6CoB,-2.8758491575000003,0.0478245757,0.1483439894,0.1483439894,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Co-Mg, expected Mg12CoB to be Mg6CoB" +mp-1106047,Mg2CoB2Ir5,-7.1688995915,-0.3829163578,0.0,-0.0448336222,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Co-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Co-Ir-Mg +mp-1028436,Mg14CoB,-2.0748278375,0.1871490541,0.2374087609,0.2374087609,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Co-Mg, expected Mg18CoB to be Mg14CoB" +mp-1028392,Mg14CoB,-2.0299118031,0.2320650885,0.2823247953,0.2823247953,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Co-Mg, expected Mg26CoB to be Mg14CoB" +mp-1217207,Ti2Fe2H3,-6.3827196343,-0.2528332645,0.1955290614,0.1955290614,GGA,Pm,A2B3C2_mP7_6_2a_a2b_2b:Fe-H-Ti,7.0,A2B3C2_mP7_6_2a_a2b_2b:Fe-H-Ti +mp-1077746,TiFeH,-6.9604882817,-0.3744085244,0.068779475,0.068779475,GGA,Pmma,ABC_oP6_51_e_a_f:Fe-H-Ti,6.0,ABC_oP6_51_e_a_f:Fe-H-Ti +mp-1220302,Nd2TiFe16,-7.84783226,0.2022796475,0.247024685,0.247024685,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Fe-Nd-Ti,19.0,A16B2C_hR57_160_a3bc_2a_a:Fe-Nd-Ti +mp-1079106,TiFeH2,-6.1050520825,-0.3173107533,0.1349323175,0.1349323175,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Fe-H-Ti,8.0,AB2C_oP8_26_a_ab_b:Fe-H-Ti +mp-643945,TiFeH2,-6.1477962512,-0.3600549221,0.0921881487,0.0921881487,GGA,Cmmm,AB2C_oC16_65_g_ace_j:Fe-H-Ti,8.0,"Invalid WP multiplicities - AB2C_oC16_65_g_ac2e_j:Fe-H-Ti, expected TiFeH3 to be TiFeH2" +mp-1078838,TiFeH2,-5.7235173062,0.0642240229,0.5164670937,0.5164670937,GGA,Cmmm,AB2C_oC16_65_g_ace_i:Fe-H-Ti,8.0,"Invalid WP multiplicities - AB2C_oC16_65_g_ac2e_i:Fe-H-Ti, expected TiFeH3 to be TiFeH2" +mp-1220118,NdTiFe11H,-7.8766135814,-0.0747136668,0.0654211665,0.0654211665,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-H-Nd-Ti,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-H-Nd-Ti +mp-1211537,RbLaSe2O13,-5.6077328559,-1.065655363,0.3720125229,0.3720125229,GGA,P2_1/c,AB13CD2_mP68_14_e_13e_e_2e:La-O-Rb-Se,68.0,AB13CD2_mP68_14_e_13e_e_2e:La-O-Rb-Se +mp-1209487,RbLa(SeO4)2,-6.4101856569,-2.0366961716,0.0,-0.144352291,GGA,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:La-O-Rb-Se,48.0,AB8CD2_mP48_14_e_8e_e_2e:La-O-Rb-Se +mp-7176,RbLaSe2,-5.26858592,-2.0414948868,0.0,-0.1429483189,GGA,R-3m,ABC2_hR12_166_a_b_c:La-Rb-Se,4.0,ABC2_hR12_166_a_b_c:La-Rb-Se +mp-16032,Pr2TeO2,-7.741304416,-3.2216054508,0.0,-0.1604652011,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:O-Pr-Te,5.0,A2B2C_tI10_139_d_e_a:O-Pr-Te +mp-1234943,Pr4Mg(Te4O11)2,-6.6667638334,-2.2468352087,0.0608743941,0.0608743941,GGA,P1,AB22C4D8_aP35_1_a_22a_4a_8a:Mg-O-Pr-Te,,AB22C4D8_aP35_1_a_22a_4a_8a:Mg-O-Pr-Te +mp-2980,Pr2Te4O11,-6.7703741494,-2.2675146843,0.0,-0.0560051462,GGA,C2/c,A11B2C4_mC68_15_e5f_f_2f:O-Pr-Te,34.0,"Invalid WP multiplicities - A11B2C4_mC68_15_e6f_f_2f:O-Pr-Te, expected Pr2Te4O13 to be Pr2Te4O11" +mp-1209377,Pr2TeO6,-7.6404756089,-2.9310034232,0.0,-0.2587988018,GGA,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Pr-Te,36.0,A6B2C_oP36_19_6a_2a_a:O-Pr-Te +mp-16152,Pr2Te2O7,-7.0777173636,-2.4890587931,0.1302843499,0.1302843499,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pr-Te,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_a2f_c_d:O-Pr-Te, expected Pr2Te2O13 to be Pr2Te2O7" +mp-1247030,LuMg2Mo3S8,-6.4298750236,-1.1905850318,0.2938781973,0.2938781973,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Lu-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Lu-Mg-Mo-S, expected LuMg2Mo3S16 to be LuMg2Mo3S8" +mp-1246739,Lu3Mg2MoS8,-6.1844877043,-1.8487262254,0.101204517,0.101204517,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Lu-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Lu-Mg-Mo-S, expected Lu3Mg2MoS22 to be Lu3Mg2MoS8" +mp-1104347,Lu(Mo3S4)2,-7.9883457513,-1.1425824103,0.0299335998,0.0299335998,GGA,R-3,AB6C8_hR45_148_a_f_cf:Lu-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Lu-Mo-S +mp-1247214,LuMgMoS4,-6.3059265857,-1.5184008504,0.1987961354,0.1987961354,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Lu-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Lu-Mg-Mo-S, expected LuMgMoS12 to be LuMgMoS4" +mp-1388027,CaNiO2,-6.3266585906,-1.906880095,0.3558083981,0.3558083981,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Ni-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_2i_3i_7i:Ca-Ni-O, expected Ca2Ni3O7 to be CaNiO2" +mp-1407342,CaNiO2,-6.4958244869,-2.0760459912,0.1866425019,0.1866425019,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Ni-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Ni-O, expected Ca2Ni3O7 to be CaNiO2" +mp-1046307,CaNiO2,-6.5226230719,-2.1028445762,0.1598439169,0.1598439169,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Ni-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Ni-O, expected Ca2Ni3O7 to be CaNiO2" +mp-1048264,CaNiO2,-6.4517431306,-2.031964635,0.2307238581,0.2307238581,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Ca-Ni-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_2i_3i_7i:Ca-Ni-O, expected Ca2Ni3O7 to be CaNiO2" +mp-1147749,CaNiO2,-6.398734665,-1.9789561694,0.2837323237,0.2837323237,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:Ca-Ni-O,4.0,ABC2_tP4_123_a_d_e:Ca-Ni-O +mp-1046168,Ca2Ta2NiO8,-8.6586409031,-3.0370715654,0.0999937095,0.0999937095,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Ca-Ni-O-Ta,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_15_f_e_5f_f:Ca-Ni-O-Ta, expected Ca2Ta2NiO10 to be Ca2Ta2NiO8" +mp-1350993,CaNi3O7,-5.8846689832,-0.9780479924,0.3022784681,0.3022784681,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Ca-Ni-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Ca-Ni-O, expected CaNi5O7 to be CaNi3O7" +mp-1368210,CaNiO3,-6.2955513885,-1.7703908498,0.0557794395,0.0557794395,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ca-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Ca-Ni-O +mp-754103,CaNiO3,-6.278679832,-1.7535192933,0.072650996,0.072650996,GGA+U,P6_3mc,ABC3_hP10_186_b_a_c:Ca-Ni-O,10.0,ABC3_hP10_186_b_a_c:Ca-Ni-O +mp-1348280,CaNi4O9,-5.8227696489,-0.8480307203,0.3325195858,0.3325195858,GGA+U,P2/c,AB4C9_mP28_13_e_2g_f4g:Ca-Ni-O,28.0,"Invalid WP multiplicities - AB4C9_mP28_13_e_6g_f10g:Ca-Ni-O, expected Ca(Ni4O7)3 to be CaNi4O9" +mp-1045953,Ca2Ni9O13,-6.4399799096,-1.425838946,0.051918144,0.051918144,GGA+U,C2/m,A2B9C13_mC48_12_i_a4i_d6i:Ca-Ni-O,24.0,A2B9C13_mC48_12_i_a4i_c6i:Ca-Ni-O +mp-1367927,Ca2TaNiO6,-7.906409547,-2.7734849133,0.0863258639,0.0863258639,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Ni-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Ca-Ni-O-Ta, expected Ca3TaNiO18 to be Ca2TaNiO6" +mp-1043722,Ca(Ni2O3)2,-6.4500449095,-1.4676559216,0.0336498632,0.0336498632,GGA+U,Cmcm,AB4C6_oC44_63_c_2f_ac2f:Ca-Ni-O,22.0,"Invalid WP multiplicities - AB4C6_oC44_63_c_6f_ac2f:Ca-Ni-O, expected Ca(Ni2O)6 to be Ca(Ni2O3)2" +mp-1347146,Ca2Ni2O5,-6.4309814322,-1.9526573571,0.0754303011,0.0754303011,GGA+U,Pbam,A2B2C5_oP18_55_h_g_agh:Ca-Ni-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_h_g_2a2g3h:Ca-Ni-O, expected CaNiO6 to be Ca2Ni2O5" +mp-1040970,Ca(NiO2)2,-6.3495692221,-1.5849080671,0.0778744821,0.0592580948,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Ca-Ni-O,42.0,AB2C4_aP42_1_6a_12a_24a:Ca-Ni-O +mp-1789447,Ca(NiO2)2,-6.372701395,-1.60804024,0.0547423093,0.0361259219,GGA+U,P-1,AB2C4_aP14_2_i_abce_4i:Ca-Ni-O,14.0,AB2C4_tI28_88_a_d_f:Ca-Ni-O +mp-1406711,Ca(NiO2)2,-2.3920837371,2.3725774179,4.0353599671,4.0167435798,GGA+U,P-1,AB2C4_aP14_2_i_abde_4i:Ca-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abde_8i:Ca-Ni-O, expected Ca(NiO4)2 to be Ca(NiO2)2" +mp-1365532,Ca(NiO2)2,-6.2575591923000005,-1.4928980373,0.169884512,0.1512681246,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Ca-Ni-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Ca-Ni-O, expected Ca4Ni11O24 to be Ca(NiO2)2" +mp-1334037,Ca(NiO2)2,-6.2565075757,-1.4918464207,0.1709361286,0.1523197412,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Ca-Ni-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a6b_12a12b:Ca-Ni-O, expected Ca(NiO2)3 to be Ca(NiO2)2" +mp-1406553,Ca(NiO2)2,-6.2759754179,-1.5113142629,0.1514682864,0.132851899,GGA+U,Cm,AB2C4_mC28_8_2a_4a_8a:Ca-Ni-O,14.0,AB2C4_mC28_8_2a_4a_8a:Ca-Ni-O +mp-1397700,Ca(NiO2)2,-6.3431346957,-1.5784735407,0.0843090086,0.0656926212,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Ca-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i3j:Ca-Ni-O, expected Ca(NiO5)2 to be Ca(NiO2)2" +mp-1042551,Ca(NiO2)2,-6.2414555614000005,-1.4767944064,0.1859881429,0.1673717555,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Ca-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Ca-Ni-O, expected CaNi3O7 to be Ca(NiO2)2" +mp-1342975,Ca(NiO2)2,-6.4274437043,-1.6627825493,0.0,-0.0186163874,GGA+U,P2/c,AB2C4_mP28_13_ef_adg_4g:Ca-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_13_ef_adg_6g:Ca-Ni-O, expected Ca(NiO3)2 to be Ca(NiO2)2" +mp-1041663,Ca(NiO2)2,-6.40220001,-1.637538855,0.0252436943,0.0066273069,GGA+U,Pbcm,AB2C4_oP28_57_d_e_cde:Ca-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_57_d_e_3c3d5e:Ca-Ni-O, expected Ca(NiO8)2 to be Ca(NiO2)2" +mp-1373103,Ca(NiO2)2,-6.4150882204,-1.6504270654000002,0.0123554839,-0.0062609035,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ca-Ni-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Ca-Ni-O +mp-1372361,Ca(NiO2)2,-6.4195354482,-1.6548742932,0.0079082561,-0.0107081313,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Ca-Ni-O,28.0,AB2C4_oP28_62_c_2c_4c:Ca-Ni-O +mp-1047720,Ca(NiO2)2,-6.3865873157,-1.6219261607000002,0.0408563886,0.0222400012,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Ca-Ni-O,14.0,AB2C4_oC28_63_c_f_acf:Ca-Ni-O +mp-1042020,Ca(NiO2)2,-6.1900872429,-1.4254260879,0.2373564614,0.218740074,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Ca-Ni-O, expected Ca(NiO5)2 to be Ca(NiO2)2" +mp-1386967,Ca(NiO2)2,-6.370674565,-1.60601341,0.0567691393,0.0381527519,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Ca-Ni-O,14.0,AB2C4_tI28_88_a_d_f:Ca-Ni-O +mp-1306369,Ca(NiO2)2,-6.3648939343,-1.6002327793000002,0.06254977,0.0439333826,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Ni-O,14.0,AB2C4_tI28_141_a_d_h:Ca-Ni-O +mp-1041378,Ca(NiO2)2,-6.3319806879,-1.5673195329,0.0954630164,0.076846629,GGA+U,P3m1,AB2C4_hP42_156_2ab3c_a2b3d_2a2b2c6d:Ca-Ni-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_156_2ab3c_a2b7d_2a2b2c13d:Ca-Ni-O, expected Ca2Ni8O15 to be Ca(NiO2)2" +mp-1040792,Ca(NiO2)2,-6.2889890914,-1.5243279364,0.1384546129,0.1198382255,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Ca-Ni-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Ca-Ni-O +mp-1273576,Ca(NiO2)2,-6.3453830171,-1.5807218621,0.0820606871,0.0634442998,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Ca-Ni-O +mp-1370002,Ca3Ni2O7,-6.3855772992,-2.0352528009,0.03766503,0.03766503,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Ca-Ni-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Ca-Ni-O, expected Ca3Ni2O9 to be Ca3Ni2O7" +mp-1403300,Ca(NiO2)4,-6.1360951269,-1.1591984892,0.1121633788,0.1121633788,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Ca-Ni-O,13.0,AB4C8_mC26_8_a_4a_8a:Ca-Ni-O +mp-18718,Ca(NiO2)4,-6.2404336727,-1.263537035,0.0078248331,0.0078248331,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Ni-O,26.0,AB4C8_hR39_166_a_bd_ch:Ca-Ni-O +mp-1410425,CaNi2O5,-5.9018554475,-1.114440848,0.3404938827,0.3404938827,GGA+U,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Ni-O,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Ni-O +mp-1043339,CaNi2O5,-5.9054504225,-1.118035823,0.3368989077,0.3368989077,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Ca-Ni-O,16.0,AB2C5_oC32_63_c_f_c2f:Ca-Ni-O +mp-1387694,Ca2Ni3O8,-6.2632714038,-1.5767237508,0.020993887,0.020993887,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Ca-Ni-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Ca-Ni-O +mp-1042917,Ca2Ni3O8,-6.1406342423,-1.4540865892,0.1436310486,0.1436310486,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Ca-Ni-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Ca-Ni-O, expected Ca2(NiO4)3 to be Ca2Ni3O8" +mp-1223057,LaAg(MoO4)2,-8.0159127425,-2.2631316576,0.0,-0.01612988,GGA+U,I-4,ABC2D8_tI24_82_a_c_bd_2g:Ag-La-Mo-O,12.0,"Invalid WP multiplicities - ABC2D8_tI24_82_a_c_bd_3g:Ag-La-Mo-O, expected LaAg(MoO6)2 to be LaAg(MoO4)2" +mp-1223238,La3Mn4AgO12,-8.243034915,-2.5605897639,0.2051442572,0.2051442572,GGA+U,P2,AB3C4D12_mP20_3_a_bcd_2e_abcd4e:Ag-La-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mP20_3_a_bcd_4e_abcd7e:Ag-La-Mn-O, expected La3Mn8AgO18 to be La3Mn4AgO12" +mp-686499,Ba32Sb7Pb25O96,-6.3380731363,-2.2255200126,0.0,-0.008086616,GGA,Cmmm,A32B96C25D7_oC320_65_4r_4g4h2i2jklmn3o5p5qr_abce2g3hipq_dfgj:Ba-O-Pb-Sb,160.0,"Invalid WP multiplicities - A32B96C25D7_oC320_65_29r_8g8h4i4j2k2l2m2n8o17p16q2r_abc2e3g6h2i3p3q_d2fg2j:Ba-O-Pb-Sb, expected Ba232Sb11Pb53O252 to be Ba32Sb7Pb25O96" +mp-1224234,Ho2Mn(GeO3)4,-7.7325901129,-2.670526482,0.0,-0.0062936714,GGA+U,Cmme,A4B2CD12_oC76_67_o_ac_e_mn2o:Ge-Ho-Mn-O,38.0,"Invalid WP multiplicities - A4B2CD12_oC76_67_o_ac_e_2m3n9o:Ge-Ho-Mn-O, expected Ho2Mn(Ge2O23)2 to be Ho2Mn(GeO3)4" +mp-1221529,MnZnS4,-5.223247325,-0.7286542634000001,0.0704831338,0.0704831338,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Mn-S-Zn,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_4e_b:Mn-S-Zn, expected MnZnS8 to be MnZnS4" +mp-1221534,MnZn3S4,-4.6699934888,-0.9841127901,0.013811044,0.013811044,GGA,P3m1,AB4C3_hP8_156_a_2a2b_a2b:Mn-S-Zn,8.0,AB4C3_hP8_156_a_2a2b_a2b:Mn-S-Zn +mp-1221557,MnZn(CrS2)4,-6.882845065,-1.0167345138,0.0,-3.2271100000000003e-05,GGA,F-43m,A4BC8D_cF56_216_e_a_2e_c:Cr-Mn-S-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Cr-Mn-S-Zn +mp-1221502,MnZnS2,-5.5824332675,-0.9087686085,0.0239476452,0.0239476452,GGA,P3m1,AB2C_hP4_156_a_ab_b:Mn-S-Zn,4.0,AB2C_hP4_156_a_ab_b:Mn-S-Zn +mp-1384478,Mn4ZnS8,-6.3144965177,-0.8530039244000001,0.0498075893,0.0498075893,GGA,R-3m,A4B8C_hR39_166_ad_ch_b:Mn-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_ad_c2h_b:Mn-S-Zn, expected Mn4ZnS14 to be Mn4ZnS8" +mp-1410942,Mn4ZnS8,-6.3229249123,-0.8614323190000001,0.0413791947,0.0413791947,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Mn-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Mn-S-Zn, expected Mn4ZnS14 to be Mn4ZnS8" +mp-1221530,MnZn4S5,-4.4179827725,-0.9296588659,0.0813064843,0.0813064843,GGA,Cm,AB5C4_mC40_8_2a_10a_8a:Mn-S-Zn,20.0,AB5C4_mC40_8_2a_10a_8a:Mn-S-Zn +mp-1221533,MnZn4S5,-4.4858102935,-0.9974863869,0.0134789633,0.0134789633,GGA,P3m1,AB5C4_hP20_156_2a_5a5b_3a5b:Mn-S-Zn,20.0,AB5C4_hP20_156_2a_5a5b_3a5b:Mn-S-Zn +mp-1346425,Mn2ZnS5,-5.6750884631,-0.6418355221,0.2910877201,0.2910877201,GGA,Pmmn,A2B5C_oP16_59_e_a2e_b:Mn-S-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Mn-S-Zn +mp-1104162,Mn2ZnS4,-6.0428897507,-0.8815220848,0.0326817108,0.0326817108,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Mn-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Mn-S-Zn +mp-5714,TmCo3B2,-7.056776795,-0.5301814033,0.0,-0.0590881179,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Tm,6.0,A2B3C_hP6_191_c_g_a:B-Co-Tm +mp-1190291,Tm(CoB)4,-7.1481952806,-0.5230093154000001,0.0,-0.0196152622,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Tm,18.0,A4B4C_tP18_137_g_g_a:B-Co-Tm +mp-1190854,Tm2Co7B3,-6.9913188225,-0.4289795955,0.0065402798,0.0065402798,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Tm,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Tm +mp-1025408,TmCoSi2,-6.3448969363,-0.7361996167,0.0041325346,0.0041325346,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-Tm,8.0,AB2C_oC16_63_c_2c_c:Co-Si-Tm +mp-16092,Tm3Co29(Si2B5)2,-7.1160579147,-0.4190163461,0.0,-0.024793178,GGA,P4/nmm,A10B29C4D3_tP92_129_2cij_c3i2jk_i_ae:B-Co-Si-Tm,92.0,"Invalid WP multiplicities - A10B29C4D3_tP92_129_2ci2j_c9i2j5k_i_ae:B-Co-Si-Tm, expected Tm3Co85(Si2B7)2 to be Tm3Co29(Si2B5)2" +mp-1207965,Tm3Co2Si3,-6.2400331263,-0.7500211325,0.0017689909,0.0017689909,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Si-Tm,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Si-Tm +mp-1208211,TmCo5Si3,-6.8569778887,-0.6021580567,0.0,-0.010435124,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Co-Si-Tm,54.0,A5B3C_hP54_176_5h_3h_h:Co-Si-Tm +mp-1207976,TmCoB4,-7.00928485,-0.6256647997,0.0,-0.0682574957,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Co-Tm +mp-1102633,TmCoSi,-6.4077700708,-0.7379463214,0.0,-0.037243239,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Tm,12.0,ABC_oP12_62_c_c_c:Co-Si-Tm +mp-3262,Tm(CoSi)2,-6.713581098,-0.8049596833,0.0,-0.1182831389,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Tm +mp-1205659,Tm2CoSi2,-6.142221345,-0.7600964047000001,0.0,-0.0036622345,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Si-Tm,10.0,AB2C2_mC20_12_i_2i_2i:Co-Si-Tm +mp-971855,Tm2Co3Si5,-6.4723027555,-0.7319813173,0.0,-0.0241550728,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Si-Tm,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_a2j_2b2f2j_j:Co-Si-Tm, expected Tm2(CoSi2)5 to be Tm2Co3Si5" +mp-1102752,TmCo4B,-6.9232732733,-0.325190211,0.0156681362,0.0156681362,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Tm,12.0,AB4C_hP12_191_c_di_ab:B-Co-Tm +mp-1205300,Tm(Co2B)6,-7.17879058,-0.3444748122,0.0,-0.0077532513,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Tm,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Tm +mp-1188803,Tm3Co11B4,-6.9684644544,-0.3942106156,0.0097554169,0.0097554169,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Tm,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Tm +mp-1201455,Tm4CoB13,-6.7306163417,-0.5170745356,0.0953966169,0.0953966169,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Tm,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Tm +mp-1196159,Tm5(Co2Si7)2,-6.1245612883,-0.6129569093,0.0,-0.0299357327,GGA,P2_1/c,A4B14C5_mP46_14_2e_7e_a2e:Co-Si-Tm,46.0,A4B14C5_mP46_14_2e_7e_a2e:Co-Si-Tm +mp-1211414,LaTiS3,-7.125148312,-2.0769785675,0.0236158415,0.0236158415,GGA,Pnma,AB3C_oP20_62_c_3c_c:La-S-Ti,20.0,AB3C_oP20_62_c_3c_c:La-S-Ti +mp-1191294,La3TiAlS7,-6.7491885125,-2.13216866,0.0213160118,0.0213160118,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-Ti,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-Ti +mp-1200087,La(TiAl10)2,-4.4037390089,-0.2455430203,0.0,-0.0258683918,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-La-Ti,46.0,A20BC2_cF184_227_cfg_a_d:Al-La-Ti +mp-1185161,La3Ti,-5.4292751625,0.2466031704,0.2466031704,0.2466031704,GGA,P6_3/mmc,A3B_hP8_194_h_c:La-Ti,8.0,A3B_hP8_194_h_c:La-Ti +mp-1228826,Ba3Fe2(Ge2O7)2,-7.2082442891,-2.406386871,0.0060796889,0.0060796889,GGA+U,C2,A3B2C4D14_mC46_5_ac_ab_2c_7c:Ba-Fe-Ge-O,23.0,"Invalid WP multiplicities - A3B2C4D14_mC46_5_ac_ab_2c_11c:Ba-Fe-Ge-O, expected Ba3Fe2(Ge2O11)2 to be Ba3Fe2(Ge2O7)2" +mp-1190820,Ba2FeGe2O7,-7.2156848454,-2.5339475305,0.0,-0.039617785,GGA+U,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Ba-Fe-Ge-O,48.0,A2BC2D7_tP24_113_e_a_e_cef:Ba-Fe-Ge-O +mp-1214741,Ba3FeGe5O14,-7.0960875087,-2.4614906712,0.011690639,0.011690639,GGA+U,P321,A3BC5D14_hP23_150_e_a_df_d2g:Ba-Fe-Ge-O,23.0,"Invalid WP multiplicities - A3BC5D14_hP23_150_e_a_df_2d4g:Ba-Fe-Ge-O, expected Ba3FeGe5O28 to be Ba3FeGe5O14" +mp-1093994,ZnSnS3,-4.218000902,-0.6822678889,0.1690332031,0.1690332031,GGA,R3c,A3BC_hR30_161_b_a_a:S-Sn-Zn,10.0,A3BC_hR30_161_b_a_a:S-Sn-Zn +mp-13593,BaZnSnS4,-4.7215762466,-1.3309919791,0.0,-0.01934915,GGA,Fdd2,AB4CD_oF224_43_2ab_8b_2b_2b:Ba-S-Sn-Zn,56.0,"Invalid WP multiplicities - AB4CD_oF224_43_2ab_8b_4b_2b:Ba-S-Sn-Zn, expected BaZn(SnS2)2 to be BaZnSnS4" +mp-31148,BaZnSn,-2.9218001333,-0.5257033317,0.0,-0.0192433022,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Sn-Zn,6.0,ABC_hP6_194_a_c_d:Ba-Sn-Zn +mp-1227443,BaZnSn2,-3.1042826613,-0.3048170962,0.1742138512,0.1742138512,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ba-Sn-Zn,8.0,AB2C_oC16_63_c_2c_c:Ba-Sn-Zn +mp-1093764,Ba2ZnSn,-1.1996462275,1.0771701088,1.5784542898,1.5784542898,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Sn-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Sn-Zn +mp-13920,Ba(ZnSn)2,-2.90738995,-0.415868776,0.0,-0.0428486158,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ba-Sn-Zn,10.0,AB2C2_tP10_129_c_ac_bc:Ba-Sn-Zn +mp-1193748,Cs3AlTe3,-3.4111246186,-1.1451673863,0.0,-0.1656770099,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-Cs-Te,28.0,AB3C3_mP28_14_e_3e_3e:Al-Cs-Te +mp-1226182,Cs2Al(TeO4)3,-5.967468185,-1.8382146967,0.0,-0.0151713045,GGA,R-3m,AB2C12D3_hR54_166_a_c_2h_d:Al-Cs-O-Te,18.0,"Invalid WP multiplicities - AB2C12D3_hR54_166_a_c_9h_d:Al-Cs-O-Te, expected Cs2Al(TeO18)3 to be Cs2Al(TeO4)3" +mp-14069,CsAlO2,-6.4840235625,-2.8504346564,0.0,-0.1607071725,GGA,Fd-3m,ABC2_cF32_227_a_b_c:Al-Cs-O,8.0,ABC2_cF32_227_a_b_c:Al-Cs-O +mp-1189272,CsAlTe3,-3.7222695605,-0.9080903841,0.0,-0.0460881986,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Al-Cs-Te,20.0,ABC3_mP20_14_e_e_3e:Al-Cs-Te +mp-866492,Cs9AlO4,-3.6199092071,-1.363412634,0.0,-0.0166879971,GGA,I4/mcm,AB9C4_tI56_140_b_c2hj_l:Al-Cs-O,28.0,AB9C4_tI56_140_b_c2hj_l:Al-Cs-O +mp-562441,Cs3AlO3,-5.2017152807,-2.1628796979,0.0,-0.0244652764,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-Cs-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_10e_8e:Al-Cs-O, expected Cs10AlO8 to be Cs3AlO3" +mp-1069193,Pd(NCl)2,-4.423370054,0.6866189420000001,1.220736707,1.220736707,GGA,P1,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd,5.0,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd +mp-1069726,Pd(NCl)2,-4.401627128,0.708361868,1.242479633,1.242479633,GGA,P1,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd,5.0,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd +mp-1179931,Pd(NCl)2,-4.72191284,0.388076156,0.922193921,0.922193921,GGA,P1,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd,5.0,A2B2C_aP5_1_2a_2a_a:Cl-N-Pd +mp-1189694,AuNCl3,-3.068796373,0.362401008,0.9384425975,0.9384425975,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Au-Cl-N,20.0,AB3C_mP20_14_e_3e_e:Au-Cl-N +mp-1105104,PdAu2(NCl2)4,-3.332353742,0.658440844,1.2205078253,1.2205078253,GGA,P-1,A2B8C4D_aP15_2_i_4i_2i_a:Au-Cl-N-Pd,15.0,A2B8C4D_aP15_2_i_4i_2i_a:Au-Cl-N-Pd +mp-1475733,PdAu2(NCl2)4,-3.0922947287,0.8984998573,1.4605668387,1.4605668387,GGA,P-1,A2B8C4D_aP15_2_i_4i_2i_a:Au-Cl-N-Pd,15.0,A2B8C4D_aP15_2_i_4i_2i_a:Au-Cl-N-Pd +mp-1214771,AuNCl4,-2.771331435,0.3960891592,0.8761238171,0.8761238171,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-Cl-N,12.0,AB4C_mC24_15_a_2f_e:Au-Cl-N +mp-723835,Pd(NCl2)2,-3.1310555314,1.04708994,1.4286026293,1.4286026293,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Cl-N-Pd,7.0,A4B2C_tP7_123_j_e_a:Cl-N-Pd +mp-1078506,Pd(NCl3)2,-2.89744647,0.7630081544,1.0597402461,1.0597402461,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Pd,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Pd +mp-1215561,Zr2VNi3,-7.567016195,-0.3137299667,0.0760524194,0.0760524194,GGA,R-3m,A3BC2_hR18_166_d_a_c:Ni-V-Zr,6.0,A3BC2_hR18_166_d_a_c:Ni-V-Zr +mp-1216016,Zr3(VNi2)2,-7.7272658333,-0.2904368611,0.0767569029,0.0767569029,GGA,P-1,A4B2C3_aP18_2_bd3i_cei_3i:Ni-V-Zr,18.0,"Invalid WP multiplicities - A4B2C3_aP18_2_bd4i_cei_5i:Ni-V-Zr, expected Zr5V2Ni5 to be Zr3(VNi2)2" +mp-1215264,ZrScVNi3,-7.2201735717,-0.3360925975,0.0805302392,0.0805302392,GGA,R3m,A3BCD_hR18_160_b_a_a_a:Ni-Sc-V-Zr,6.0,A3BCD_hR18_160_b_a_a_a:Ni-Sc-V-Zr +mp-1215279,ZrVNi,-8.0423576742,-0.2384432142,0.0653792592,0.0653792592,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ni-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ni-V-Zr, expected Zr3(VNi)2 to be ZrVNi" +mp-1112446,K2TbAgCl6,-4.21884184,-2.1409478443,0.043063298,0.043063298,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tb +mp-861269,Cd2PbO4,-5.0023974057,-1.3816572007,0.0,-0.0034782562,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Cd-O-Pb,14.0,"Invalid WP multiplicities - A2B4C_oP14_55_g_2g3h_b:Cd-O-Pb, expected Cd2PbO10 to be Cd2PbO4" +mp-1213904,Cd2ClO3,-3.8063141663,-0.7172504473,0.3788013135,0.3788013135,GGA,Pnma,A2BC3_oP24_62_ac_c_cd:Cd-Cl-O,24.0,A2BC3_oP24_62_ac_c_cd:Cd-Cl-O +mp-1077904,CdPb2(ClO)2,-4.6924865343,-1.5583958711,0.0,-0.0314900974,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:Cd-Cl-O-Pb,7.0,AB2C2D2_mC14_12_a_i_i_i:Cd-Cl-O-Pb +mp-1201044,CdPbO6,-4.7021422116,-0.4126835744,0.4518860747,0.4518860747,GGA,Pn-3,AB6C_cP32_201_b_h_c:Cd-O-Pb,32.0,AB6C_cP32_201_b_h_c:Cd-O-Pb +mp-1204349,Cd2Cl4O5,-3.5217798014,-0.4332916453,0.4486913444,0.4486913444,GGA,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Cd-Cl-O,44.0,A2B4C5_mP44_14_2e_4e_5e:Cd-Cl-O +mp-725216,CdCl2O,-3.0597116744,-0.6680487266,0.4902565293,0.4902565293,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cd-Cl-O,16.0,AB2C_oP16_62_c_2c_c:Cd-Cl-O +mp-1077089,CdClO,-3.4878803233,-0.9151752796,0.3207930062,0.3207930062,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cd-Cl-O,6.0,ABC_hP6_186_b_b_a:Cd-Cl-O +mp-685257,CdPbO3,-5.2784320313,-1.3833114385,0.0,-0.0260028298,GGA,Ibca,AB3C_oI80_73_ac_3f_de:Cd-O-Pb,40.0,"Invalid WP multiplicities - AB3C_oI80_73_4a4c_16f_2d3e:Cd-O-Pb, expected Cd8Pb5O32 to be CdPbO3" +mp-29297,Cd3(ClO)2,-3.7731992593,-1.4361821132,0.0,-0.0148266493,GGA,P2_1/c,A3B2C2_mP14_14_ae_e_e:Cd-Cl-O,14.0,A3B2C2_mP14_14_ae_e_e:Cd-Cl-O +mp-1182262,Cd(ClO2)2,-3.6808034527,-0.1941294634,0.5299550885000001,0.5299550885000001,GGA,P2_12_12_1,AB2C4_oP56_19_2a_4a_8a:Cd-Cl-O,56.0,AB2C4_oP56_19_2a_4a_8a:Cd-Cl-O +mp-1214349,Cd(ClO2)2,-3.6284326216,-0.1417586323,0.5823259196,0.5823259196,GGA,P2_12_12_1,AB2C4_oP56_19_2a_4a_8a:Cd-Cl-O,56.0,AB2C4_oP56_19_2a_4a_8a:Cd-Cl-O +mp-1208995,ScTl3F6,-5.4177951195,-2.9288678845,0.0,-0.0294102462,GGA,P4/mnc,A6BC3_tP20_128_eh_a_bd:F-Sc-Tl,20.0,A6BC3_tP20_128_eh_a_bd:F-Sc-Tl +mp-1205824,ScTl3F6,-5.390474614,-2.901547379,0.0273205055,-0.0020897407,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Sc-Tl,10.0,A6BC3_cF40_225_e_a_bc:F-Sc-Tl +mp-1112337,Cs2ScTlF6,-5.552694033,-3.3572149529,0.0,-0.0203452542,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Sc-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Sc-Tl +mp-1219252,ScTlF6,-5.7181034037,-3.1976051467,0.0017310953,0.0017310953,GGA,R-3,A6BC_hR24_148_f_a_b:F-Sc-Tl,8.0,A6BC_hR24_148_f_a_b:F-Sc-Tl +mp-1203593,Cs4Zr6BBr17,-5.073203372,-1.9321788488,0.0,-0.1191042824,GGA,P-42_1m,AB17C4D6_tP56_113_c_a2c3e2f_f_3e:B-Br-Cs-Zr,56.0,AB17C4D6_tP56_113_c_a2c3e2f_f_3e:B-Br-Cs-Zr +mp-569897,Cs(BBr)6,-4.8598585229,-0.9914029093,0.0,-0.1611974921,GGA,R-3,A6B6C_hR156_148_4f_4f_2c:B-Br-Cs,52.0,"Invalid WP multiplicities - A6B6C_hR156_148_19f_21f_3c:B-Br-Cs, expected CsB19Br21 to be Cs(BBr)6" +mp-651847,GdGaGe2O7,-8.1321778257,-2.5888055574,0.0,-0.0059957588,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Ga-Gd-Ge-O,44.0,"Invalid WP multiplicities - ABC2D7_mP44_14_e_e_5e_27e:Ga-Gd-Ge-O, expected GdGaGe5O27 to be GdGaGe2O7" +mp-1186245,Nd2Ho2O5,-7.9916594689,-3.1655976732,0.4766087365,0.4766087365,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Ho-Nd-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_ab_h_c2i:Ho-Nd-O, expected Nd2Ho2O9 to be Nd2Ho2O5" +mp-755416,HoGaO3,-7.6316044615,-3.1414902562,0.0495375614,0.0495375614,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-Ho-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Ga-Ho-O, expected HoGaO7 to be HoGaO3" +mp-769045,HoGaO3,-7.6622993993,-3.1721851941,0.0188426235,0.0188426235,GGA,P6_3cm,ABC3_hP30_185_c_ab_ab2c:Ga-Ho-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_c_a2b_a2b11c:Ga-Ho-O, expected Ho5Ga3O38 to be HoGaO3" +mp-15575,Ho3Ga5O12,-7.3925755701,-2.9801770072,0.0,-0.0335981004,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Ga-Ho-O,80.0,A5B3C12_cI160_230_ad_c_h:Ga-Ho-O +mp-1210498,Nd3Ho2(GaO4)3,-7.936515858,-3.340825226,0.0,-0.0161572744,GGA,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Ga-Ho-Nd-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Ga-Ho-Nd-O +mp-31114,Ho3GaO6,-8.2543006725,-3.6087551825,0.0039742558,0.0039742558,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Ga-Ho-O,20.0,AB3C6_oC40_36_a_ab_2a2b:Ga-Ho-O +mp-1221558,Na2OsO7,-5.952478233,-1.1025543334,0.2261665802,0.2261665802,GGA,P2_1,A2B7C_mP20_4_2a_7a_a:Na-O-Os,20.0,A2B7C_mP20_4_2a_7a_a:Na-O-Os +mp-1210840,Na2OsO8,-5.6800294482,-0.8213087476,0.3866193557,0.3866193557,GGA,P2_1,A2B8C_mP22_4_2a_8a_a:Na-O-Os,22.0,A2B8C_mP22_4_2a_8a_a:Na-O-Os +mp-1190635,Na2OsO4,-6.5597841186,-1.7513308526,0.0,-0.0095658289,GGA,P-62m,A2B4C_hP21_189_adg_2gj_f:Na-O-Os,21.0,A2B4C_hP21_189_adg_2gj_f:Na-O-Os +mp-555792,Na(OsO3)2,-7.4852108628,-1.5455005938,0.0227227797,0.0227227797,GGA,Fd-3m,AB6C2_cF72_227_a_f_d:Na-O-Os,18.0,AB6C2_cF72_227_a_f_d:Na-O-Os +mp-555476,Na3OsO5,-6.2263700559,-1.7898826263,0.0,-0.0379592754,GGA,P3_121,A3B5C_hP27_152_bc_a2c_a:Na-O-Os,27.0,"Invalid WP multiplicities - A3B5C_hP27_152_2b3c_3a7c_a:Na-O-Os, expected Na8OsO17 to be Na3OsO5" +mp-20067,Na5OsO6,-5.7586015358,-1.7985910221,0.0,-0.0964391089,GGA,C2/m,A5B6C_mC24_12_agh_ij_d:Na-O-Os,12.0,"Invalid WP multiplicities - A5B6C_mC24_12_a2g2h_ij_c:Na-O-Os, expected Na9OsO6 to be Na5OsO6" +mp-1105218,NaOsO3,-7.1331451105,-1.6551533391,0.0,-0.0259470225,GGA,Pnma,AB3C_oP20_62_c_cd_a:Na-O-Os,20.0,AB3C_oP20_62_c_cd_a:Na-O-Os +mp-998624,NaOsO3,-7.117722989,-1.6397312176,0.0154221215,-0.010524901,GGA,R-3c,AB3C_hR30_167_a_e_b:Na-O-Os,10.0,AB3C_hR30_167_a_e_b:Na-O-Os +mp-1040464,NaOsO3,-7.098090474,-1.6200987026,0.0350546365,0.009107614,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Os,5.0,AB3C_cP5_221_a_c_b:Na-O-Os +mp-20009,NaPr2OsO6,-7.862856617,-2.6836729669,0.0267859747,0.0267859747,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Na-O-Os-Pr,20.0,AB6CD2_mP20_14_a_3e_b_e:Na-O-Os-Pr +mp-1206298,La2CdAs2O,-4.7039191083,-0.5272808598000001,1.2781039531,1.2781039531,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Cd-La-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Cd-La-O +mp-1223628,La(CdAs)3,-3.6317591271,-0.5343260414000001,0.0,-0.0214775001,GGA,Ama2,A3B3C_oC28_40_bc_bc_a:As-Cd-La,14.0,A3B3C_oC28_40_bc_bc_a:As-Cd-La +mp-1113775,Rb2AlInF6,-5.149587182,-3.156867031,0.0174267006,0.0174267006,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-In-Rb +mp-6296,K6Cd4Sn3Se13,-3.6251732235,-1.0163456274,0.0305420392,0.0305420392,GGA,R3m,A4B6C13D3_hR78_160_ab_2b_a2bc_b:Cd-K-Se-Sn,26.0,"Invalid WP multiplicities - A4B6C13D3_hR78_160_ab_2b_a2b2c_b:Cd-K-Se-Sn, expected K6Cd4Sn3Se19 to be K6Cd4Sn3Se13" +mp-1198419,K2Cd3Se4,-3.1566669764,-1.0485433003,0.0,-0.0601618786,GGA,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Cd-K-Se,36.0,A3B2C4_oP36_62_cd_ac_2cd:Cd-K-Se +mp-1079645,K2CdSnSe4,-3.7049404225,-1.062827245,0.0,-0.0042858438,GGA,I-42m,AB2C4D_tI16_121_a_c_i_b:Cd-K-Se-Sn,8.0,AB2C4D_tI16_121_a_c_i_b:Cd-K-Se-Sn +mp-1041829,AlCo3F15,-4.80729187,-1.9787279896,0.1996553289,0.1996553289,GGA+U,P2_1/m,AB3C15_mP38_11_e_af_3e6f:Al-Co-F,38.0,"Invalid WP multiplicities - AB3C15_mP38_11_e_2a2f_6e24f:Al-Co-F, expected AlCo6F54 to be AlCo3F15" +mp-21978,Na2AlCoF7,-5.6091918862,-3.1656194331,0.005415677,0.005415677,GGA+U,C2/c,ABC7D2_mC176_15_cef_2f_14f_abde2f:Al-Co-F-Na,88.0,"Invalid WP multiplicities - ABC7D2_mC176_15_a2e4f_6f_54f_2b2cd2e8f:Al-Co-F-Na, expected Na23Al11Co12F108 to be Na2AlCoF7" +mp-1251112,AlCoF5,-6.08610893,-3.1702105782,0.049272275,0.049272275,GGA+U,Immm,ABC5_oI14_71_a_b_ceg:Al-Co-F,7.0,ABC5_oI14_71_a_b_ceg:Al-Co-F +mp-1225697,CuPSe2,-4.321343045,-0.195260012,0.1595903729,0.1595903729,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cu-P-Se,4.0,ABC2_hP4_156_a_b_ab:Cu-P-Se +mp-662547,PSeCl9,-3.3056190173,-0.9832513878,0.0,-0.0116419373,GGA,Ima2,A9BC_oI88_46_6b6c_c_2b:Cl-P-Se,44.0,"Invalid WP multiplicities - A9BC_oI88_46_12b22c_c_2b:Cl-P-Se, expected PSeCl28 to be PSeCl9" +mp-1196912,CuP4Se3Cl,-4.6452243472,-0.4131479262,0.0,-0.001961943,GGA,P2_1/c,ABC4D3_mP36_14_e_e_4e_3e:Cl-Cu-P-Se,36.0,ABC4D3_mP36_14_e_e_4e_3e:Cl-Cu-P-Se +mp-5756,Cu3PSe4,-4.3375880181,-0.3757669647,0.0,-0.0279826137,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Cu-P-Se,16.0,A3BC4_oP16_31_ab_a_2ab:Cu-P-Se +mp-676863,Cu7PSe6,-4.1930285548,-0.2585129789,0.0789932943,0.0789932943,GGA,P1,A7BC6_aP56_1_28a_4a_24a:Cu-P-Se,56.0,A7BC6_aP56_1_28a_4a_24a:Cu-P-Se +mp-29823,Cu7PSe6,-4.2116087048,-0.2770931289,0.0604131443,0.0604131443,GGA,Pna2_1,A7BC6_oP56_33_7a_a_6a:Cu-P-Se,56.0,A7BC6_oP56_33_7a_a_6a:Cu-P-Se +mp-1201955,Cu7PSe6,-4.1911393741,-0.2566237982,0.080882475,0.080882475,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Cu-P-Se,56.0,A7BC6_cP56_198_a2b_a_3ab:Cu-P-Se +mp-1214432,Bi12Pb4O21,-5.9823876668,-1.5278762944,0.0628384756,0.0628384756,GGA,P-1,A12B21C4_aP37_2_6i_a10i_2i:Bi-O-Pb,37.0,A12B21C4_aP37_2_6i_a10i_2i:Bi-O-Pb +mp-758225,Bi10(Pb2O7)3,-6.0286290897,-1.581028099,0.0188169855,0.0188169855,GGA,P-1,A10B21C6_aP37_2_5i_a10i_3i:Bi-O-Pb,37.0,"Invalid WP multiplicities - A10B21C6_aP37_2_9i_a20i_5i:Bi-O-Pb, expected Bi18Pb10O41 to be Bi10(Pb2O7)3" +mp-667342,Bi12PbO20,-6.1206075424,-1.6135684256,0.0170596273,0.0170596273,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Pb,33.0,"Invalid WP multiplicities - A12B20C_cI66_197_f_6c5f_a:Bi-O-Pb, expected Bi12PbO84 to be Bi12PbO20" +mp-757785,Bi12PbO19,-6.1145116438,-1.6212115768,0.0290598343,0.0290598343,GGA,R3,A12B19C_hR96_146_4b_a6b_a:Bi-O-Pb,32.0,"Invalid WP multiplicities - A12B19C_hR96_146_12b_a16b_a:Bi-O-Pb, expected Bi36PbO49 to be Bi12PbO19" +mp-1227444,BiPbBrO2,-5.41543906,-1.6155306695,0.0,-0.0363870713,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Bi-Br-O-Pb,5.0,ABC2D_tI10_107_a_a_b_a:Bi-Br-O-Pb +mp-1192374,K(GeAs)3,-4.3393342575,-0.2026431536,0.0,-0.0232875283,GGA,Pnma,A3B3C_oP28_62_3c_3c_c:As-Ge-K,28.0,A3B3C_oP28_62_3c_3c_c:As-Ge-K +mp-8930,K2GeAs2,-3.631489607,-0.3990770952,0.0,-0.03625016,GGA,Ibam,A2BC2_oI20_72_j_a_j:As-Ge-K,10.0,A2BC2_oI20_72_j_a_j:As-Ge-K +mp-1195294,K14ZnGe16,-3.1268540003,-0.1986677246,0.0,-0.0033482851,GGA,Pmn2_1,A16B14C_oP62_31_4a6b_2a6b_a:Ge-K-Zn,62.0,A16B14C_oP62_31_4a6b_2a6b_a:Ge-K-Zn +mp-1223875,K2Zn3GeAs4,-3.237255307,-0.3113022871,0.0403149805,0.0403149805,GGA,C222,A4BC2D3_oC20_21_l_a_k_bcd:As-Ge-K-Zn,10.0,A4BC2D3_oC20_21_l_a_k_bcd:As-Ge-K-Zn +mp-1046755,Mg2Nb2AgO8,-7.6805951765,-2.6183462632,0.07466307,0.07466307,GGA,P-1,AB2C2D8_aP26_2_i_2i_2i_8i:Ag-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_aP26_2_i_4i_4i_16i:Ag-Mg-Nb-O, expected Mg4Nb4AgO16 to be Mg2Nb2AgO8" +mp-2241220,MgNbAgO3,-6.8882433800000005,-1.9925421755,0.5122019560000001,0.5122019560000001,GGA,Cm,ABCD3_mC12_8_a_a_a_ab:Ag-Mg-Nb-O,6.0,ABCD3_mC12_8_a_a_a_ab:Ag-Mg-Nb-O +mp-2210644,MgNbAgO3,-6.4107110983,-1.5150098938,0.9897342377,0.9897342377,GGA,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Ag-Mg-Nb-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_a_b_d_c2e:Ag-Mg-Nb-O, expected MgNbAgO5 to be MgNbAgO3" +mp-975333,LiCaO3,-5.401248822,-1.6503310459,0.3484305054,0.3484305054,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Li-O,5.0,ABC3_cP5_221_a_b_c:Ca-Li-O +mp-7611,Li2CaGeO4,-6.38405942,-2.6049058808,0.0,-0.00348349,GGA,I-42m,ABC2D4_tI16_121_a_b_d_i:Ca-Ge-Li-O,8.0,ABC2D4_tI16_121_a_b_d_i:Ca-Ge-Li-O +mp-1228984,AlCu(PSe3)2,-4.523998835,-0.5593131971,0.0,-0.0111202553,GGA,R3,ABC2D6_hR30_146_a_a_2a_2b:Al-Cu-P-Se,10.0,ABC2D6_hR30_146_a_a_2a_2b:Al-Cu-P-Se +mp-7093,HoAgGe,-4.4256981689,-0.4130339261,0.1616379172,0.1616379172,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Ge-Ho,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Ag-Ge-Ho, expected Ho3Ag5Ge3 to be HoAgGe" +mp-1224168,Ho6Ag(GeS7)2,-5.9474194213,-1.7090123313,0.0296366789,0.0296366789,GGA,P3,AB2C6D14_hP23_143_c_ab_2d_ab4d:Ag-Ge-Ho-S,23.0,AB2C6D14_hP23_143_c_ab_2d_ab4d:Ag-Ge-Ho-S +mp-1199297,HoAgS2,-5.4851343084,-1.5631681567,0.0093180228,0.0036234057,GGA,P2_1,ABC2_mP32_4_4a_4a_8a:Ag-Ho-S,32.0,ABC2_mP32_4_4a_4a_8a:Ag-Ho-S +mp-18262,HoAgS2,-5.4944523312,-1.5724861795,0.0,-0.0056946171,GGA,P4_12_12,ABC2_tP32_92_b_b_2b:Ag-Ho-S,32.0,"Invalid WP multiplicities - ABC2_tP32_92_b_b_10b:Ag-Ho-S, expected HoAgS10 to be HoAgS2" +mp-531611,Mg(AlB14)2,-6.4221320732,-0.0958610638,0.0,-0.0509891097,GGA,P1,A2B28C_aP62_1_4a_56a_2a:Al-B-Mg,62.0,A2B28C_aP62_1_4a_56a_2a:Al-B-Mg +mp-1222257,Mg(AlB14)2,-6.3909814652,-0.0647104557,0.0311506081,-0.0198385017,GGA,Cm,A2B28C_mC62_8_2a_14b_a:Al-B-Mg,31.0,"Invalid WP multiplicities - A2B28C_mC62_8_2a_21b_a:Al-B-Mg, expected Mg(AlB21)2 to be Mg(AlB14)2" +mp-1028230,Mg14AlB,-1.8635437481,0.1882617707,0.2266017947,0.2266017947,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-B-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-B-Mg, expected Mg18AlB to be Mg14AlB" +mp-1028227,Mg14AlB,-1.8788824356,0.1729230832,0.2112631072,0.2112631072,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-B-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-B-Mg, expected Mg26AlB to be Mg14AlB" +mp-1222150,Mg4AlB10,-5.2687882867,-0.1394140374,0.0,-0.002835712,GGA,P6/mmm,AB10C4_hP15_191_a_d2h_2e:Al-B-Mg,15.0,"Invalid WP multiplicities - AB10C4_hP15_191_a_2d7h_3e:Al-B-Mg, expected Mg6AlB32 to be Mg4AlB10" +mp-1207086,MgAlB4,-5.4898166967,-0.1459128694,0.0,-0.029792339,GGA,P6/mmm,AB4C_hP6_191_a_h_b:Al-B-Mg,6.0,AB4C_hP6_191_a_h_b:Al-B-Mg +mp-865047,Mg2AlB2Ir5,-7.063513448,-0.6138044108,0.0,-0.0886023385,GGA,P4/mbm,AB2C5D2_tP20_127_a_g_cj_g:Al-B-Ir-Mg,20.0,"Invalid WP multiplicities - AB2C5D2_tP20_127_a_g_2c2j_g:Al-B-Ir-Mg, expected Mg2Al(BIr5)2 to be Mg2AlB2Ir5" +mp-865921,MgAlIr2,-6.4567464775,-0.7010654175000001,0.0,-0.0334679509,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ir-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Ir-Mg +mp-1023279,Mg6AlB,-2.1428540012,0.3604769864,0.4099191625,0.4099191625,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-B-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-B-Mg, expected Mg12AlB to be Mg6AlB" +mp-1023310,Mg6AlB,-2.1368727137,0.3664582739,0.41590045,0.41590045,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-B-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-B-Mg, expected Mg12AlB to be Mg6AlB" +mp-1185681,Mg16Al12Ir,-2.7958050079000003,-0.0582248376,0.0632779077,0.0632779077,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Ir-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a7b4c:Al-Ir-Mg, expected Mg46Al39Ir to be Mg16Al12Ir" +mp-12322,RbGd2CuS4,-8.1274786544,-1.9052555681,0.0,-0.0266868934,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Gd-Rb-S,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_a2c3f:Cu-Gd-Rb-S, expected RbGd2CuS9 to be RbGd2CuS4" +mp-669578,Rb2Gd4Cu4S9,-7.5430721632,-1.654102027,0.0,-0.0014860504,GGA,P-1,A4B4C2D9_aP19_2_2i_2i_i_a4i:Cu-Gd-Rb-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_3i_3i_i_a4i:Cu-Gd-Rb-S, expected Rb2Gd6(Cu2S3)3 to be Rb2Gd4Cu4S9" +mp-1106295,Rb2Gd4Cu4S9,-7.5329363337,-1.6439661975000002,0.0101358295,0.0086497791,GGA,C2/m,A4B4C2D9_mC38_12_2i_2i_i_a4i:Cu-Gd-Rb-S,19.0,A4B4C2D9_mC38_12_2i_2i_i_a4i:Cu-Gd-Rb-S +mp-7045,RbGdS2,-7.929753575,-2.0973645634,0.0,-0.1735467247,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Rb-S,4.0,ABC2_hR12_166_a_b_c:Gd-Rb-S +mp-1219325,ScMn2SbO6,-8.366156125,-2.5195928053000003,0.0,-0.039565507,GGA+U,P1,A2B6CD_aP20_1_4a_12a_2a_2a:Mn-O-Sb-Sc,20.0,A2B6CD_aP20_1_4a_12a_2a_2a:Mn-O-Sb-Sc +mp-1247029,MgScCrS4,-6.4854598793000005,-1.6095175804,0.0280264021,0.0280264021,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-S-Sc,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Cr-Mg-S-Sc, expected MgScCrS12 to be MgScCrS4" +mp-1247466,Mg2Sc3CrS8,-6.4650984464,-1.8263403164,0.0272383639,0.0272383639,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Mg-S-Sc,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Cr-Mg-S-Sc, expected Mg2Sc3CrS22 to be Mg2Sc3CrS8" +mp-1247198,Mg2ScCr3S8,-6.4996602036,-1.3865337357,0.0349755489,0.0349755489,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-Sc,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-Sc, expected Mg2ScCr3S16 to be Mg2ScCr3S8" +mp-1348334,Mg2TaSbO6,-7.5542314625,-2.6674843388,0.217424702,0.217424702,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sb-Ta,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Mg-O-Sb-Ta, expected Mg2TaSbO16 to be Mg2TaSbO6" +mp-1222071,MgCoNi,-4.9525722850000005,-0.12299411,0.0082413805,0.0082413805,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Mg-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Mg-Ni, expected Mg3(CoNi)2 to be MgCoNi" +mp-2227450,MgCoS2,-5.071515265,-0.8261408703,0.3721704076,0.3721704076,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Mg-S,4.0,ABC2_hR12_160_a_a_2a:Co-Mg-S +mp-2232296,MgCo4(NiS4)2,-5.690804976,-0.711776741,0.1457632681,0.1457632681,GGA,R-3m,A4BC2D8_hR45_166_ad_b_c_ch:Co-Mg-Ni-S,15.0,"Invalid WP multiplicities - A4BC2D8_hR45_166_ad_b_c_2c2h:Co-Mg-Ni-S, expected MgCo4(NiS8)2 to be MgCo4(NiS4)2" +mp-2232147,MgCo4(NiS4)2,-5.3848733627,-0.4058451277,0.4516948814,0.4516948814,GGA,F-43m,A4BC2D8_cF60_216_e_a_bc_2e:Co-Mg-Ni-S,15.0,"Invalid WP multiplicities - A4BC2D8_cF60_216_e_a_bc_5e:Co-Mg-Ni-S, expected MgCo4(NiS10)2 to be MgCo4(NiS4)2" +mp-2232133,MgCo2(NiS2)4,-5.4774154793,-0.6754780597000001,0.1528623638,0.1528623638,GGA,C2/m,A2BC4D8_mC30_12_ac_b_ei_2ij:Co-Mg-Ni-S,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_12_bc_a_f2i_4ij:Co-Mg-Ni-S, expected MgCo2(NiS2)6 to be MgCo2(NiS2)4" +mp-1045353,Mg(CoS2)2,-5.3988864386,-0.7756414232000001,0.2149442543,0.2149442543,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Co-Mg-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h3i:Co-Mg-S, expected Mg(CoS6)2 to be Mg(CoS2)2" +mp-1045422,Mg(CoS2)2,-5.4792669036,-0.8560218882,0.1345637893,0.1345637893,GGA,Imma,A2BC4_oI28_74_ac_b_hi:Co-Mg-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_4h3i:Co-Mg-S, expected Mg(Co2S7)2 to be Mg(CoS2)2" +mp-1390919,Mg(CoS2)2,-5.5422814393,-0.9190364239,0.0715492536,0.0715492536,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Co-Mg-S +mp-1099089,Mg14CoNi,-2.1425909438,0.0631825047,0.1141090064,0.1141090064,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Ni, expected Mg18CoNi to be Mg14CoNi" +mp-1026903,Mg14CoNi,-2.1213868369,0.0843866116,0.1353131132,0.1353131132,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Ni, expected Mg26CoNi to be Mg14CoNi" +mp-1342988,MgCo2S5,-5.3197946563,-0.7573990345,0.18143917,0.18143917,GGA,Pmmn,A2BC5_oP16_59_e_a_b2e:Co-Mg-S,16.0,A2BC5_oP16_59_e_a_b2e:Co-Mg-S +mp-1022073,Mg6CoNi,-2.6816475613,0.1296192856,0.2101137793,0.2101137793,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Ni, expected Mg12CoNi to be Mg6CoNi" +mp-1022201,Mg6CoNi,-2.7431669431,0.0680999038,0.1485943974,0.1485943974,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Ni, expected Mg12CoNi to be Mg6CoNi" +mp-2219790,Mg(CoS2)4,-5.4484866454,-0.5927058635,0.2603478915,0.2603478915,GGA,P1,A4BC8_aP13_1_4a_a_8a:Co-Mg-S,13.0,A4BC8_aP13_1_4a_a_8a:Co-Mg-S +mp-2219207,Mg(CoS2)4,-5.5948519385,-0.7390711565,0.1139825985,0.1139825985,GGA,Imm2,A4BC8_oI26_44_cd_a_2c2d:Co-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_mC26_8_2a2b_a_4a4b:Co-Mg-S, expected Mg(CoS2)6 to be Mg(CoS2)4" +mp-2226935,Mg(CoS2)4,-5.2931888469,-0.437408065,0.41564569,0.41564569,GGA,R3,A4BC8_hR39_146_ab_a_2a2b:Co-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_146_ab_a_2a3b:Co-Mg-S, expected MgCo4S11 to be Mg(CoS2)4" +mp-1406755,Mg(CoS2)4,-5.5956863315,-0.7399055496,0.1131482054,0.1131482054,GGA,R-3m,A4BC8_hR39_166_ad_b_ch:Co-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_ad_b_c2h:Co-Mg-S, expected Mg(Co2S7)2 to be Mg(CoS2)4" +mp-1444362,Mg(CoS2)4,-5.6021481585,-0.7463673765000001,0.1066863785,0.1066863785,GGA,R-3m,A4BC8_hR39_166_bd_a_ch:Co-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Co-Mg-S, expected Mg(Co2S7)2 to be Mg(CoS2)4" +mp-2219510,Mg(CoS2)4,-5.17821551,-0.3224347281,0.5306190269000001,0.5306190269000001,GGA,F-43m,A4BC8_cF52_216_e_a_2e:Co-Mg-S,13.0,"Invalid WP multiplicities - A4BC8_cF52_216_e_a_3e:Co-Mg-S, expected Mg(CoS3)4 to be Mg(CoS2)4" +mp-570710,Ca3(Cu2Sn)4,-3.941423923,-0.2848412283,0.0,-0.0014791728,GGA,P6_3mc,A3B8C4_hP30_186_c_ab2c_bc:Ca-Cu-Sn,30.0,"Invalid WP multiplicities - A3B8C4_hP30_186_c_2a2b9c_2b2c:Ca-Cu-Sn, expected Ca3Cu31Sn8 to be Ca3(Cu2Sn)4" +mp-1375641,Cu3(SnO3)4,-6.2139026868,-1.5983146887,0.0520161803,0.0520161803,GGA,Im-3,A3B12C4_cI38_204_b_g_c:Cu-O-Sn,19.0,A3B12C4_cI38_204_b_g_c:Cu-O-Sn +mp-568974,Ca(CuSn)2,-3.96237901,-0.317747624,0.0,-0.0166526762,GGA,C2/m,AB2C2_mC10_12_a_i_i:Ca-Cu-Sn,5.0,AB2C2_mC10_12_a_i_i:Ca-Cu-Sn +mp-1213499,CuSnO12,-4.8337953836,-0.0145780221,0.5861163753,0.5861163753,GGA,P4_2/nnm,AB12C_tP28_134_a_mn_b:Cu-O-Sn,28.0,AB12C_tP28_134_a_mn_b:Cu-O-Sn +mp-571034,CaCu9Sn4,-4.0369438893,-0.1128905086,0.0072511593,0.0072511593,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ca-Cu-Sn,28.0,"Invalid WP multiplicities - AB9C4_tI56_140_a_2d4k3l_l:Ca-Cu-Sn, expected Ca(Cu15Sn2)2 to be CaCu9Sn4" +mp-1041279,CaCu2(SnO4)2,-6.1016339358,-1.6557365035,0.2386303346,0.2386303346,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-Sn,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-Sn, expected CaCu6Sn5O26 to be CaCu2(SnO4)2" +mp-1181801,CuSnO6,-5.1932040831,-0.4695902341,0.5816249614,0.5816249614,GGA,Pnn2,AB6C_oP32_34_c_6c_c:Cu-O-Sn,32.0,AB6C_aP32_1_4a_24a_4a:Cu-O-Sn +mp-1377640,CuSnO6,-5.1926661872,-0.4690523381,0.5821628573000001,0.5821628573000001,GGA,Pnnn,AB6C_oP32_48_e_3m_f:Cu-O-Sn,32.0,AB6C_oP32_48_e_3m_f:Cu-O-Sn +mp-1202466,CuSnO6,-5.1861231947,-0.4625093456,0.5887058498000001,0.5887058498000001,GGA,P4_2/nnm,AB6C_tP32_134_e_mn_f:Cu-O-Sn,32.0,AB6C_tP32_134_e_mn_f:Cu-O-Sn +mp-570879,CaCuSn,-3.8150749206,-0.4436154522,0.0,-0.0115413556,GGA,Imm2,ABC_oI36_44_ab2c_3c_3c:Ca-Cu-Sn,18.0,"Invalid WP multiplicities - ABC_oI36_44_ab4c_6c_5c:Ca-Cu-Sn, expected Ca5Cu6Sn5 to be CaCuSn" +mp-18190,CaCu3(SnO3)4,-6.325418787,-1.8403301948,0.0638001175,0.0638001175,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Sn,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Sn +mp-1147658,Cu6SnO8,-5.70767151,-1.1624500723,0.0139608393,0.0139608393,GGA,Fm-3m,A6B8C_cF60_225_d_f_a:Cu-O-Sn,15.0,A6B8C_cF60_225_d_f_a:Cu-O-Sn +mp-579544,Ca6Cu2Sn7,-3.767121272,-0.5471868983,0.0,-0.009196927,GGA,C2/m,A6B2C7_mC30_12_3i_i_a3i:Ca-Cu-Sn,15.0,"Invalid WP multiplicities - A6B2C7_mC30_12_5i_i_a6i:Ca-Cu-Sn, expected Ca10Cu2Sn13 to be Ca6Cu2Sn7" +mp-1218024,Ta2Ti2NbC5,-10.2373799,-0.6622627204,0.0373120644,0.0373120644,GGA,R3m,A5BC2D2_hR30_160_5a_a_2a_2a:C-Nb-Ta-Ti,10.0,A5BC2D2_hR30_160_5a_a_2a_2a:C-Nb-Ta-Ti +mp-1097329,TaTiNb2,-5.5649828675,4.4239870642,4.4239870642,4.4239870642,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ta-Ti,4.0,A2BC_oI8_71_e_a_b:Nb-Ta-Ti +mp-1217924,TaNbC2,-10.624323675,-0.5202202612,0.0170514709,0.0170514709,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Nb-Ta,4.0,A2BC_hR12_166_c_a_b:C-Nb-Ta +mp-1216707,TiNbC2,-9.77848413,-0.6649521196,0.0,-0.0108143491,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Nb-Ti,4.0,A2BC_hR12_166_c_a_b:C-Nb-Ti +mp-1217904,TaTiC2,-10.30231516,-0.7496650021,0.0,-0.057469415,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ta-Ti,4.0,A2BC_hR12_166_c_a_b:C-Ta-Ti +mp-2231769,MgMn2(SeO3)4,-6.5220145568,-1.6131608158,0.0594508605,0.0594508605,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Se,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Se +mp-2230446,MgMn2(SeO3)4,-6.5180819689,-1.6092282279,0.0633834484,0.0633834484,GGA+U,P-1,AB2C12D4_aP19_2_a_cf_6i_2i:Mg-Mn-O-Se,19.0,"Invalid WP multiplicities - AB2C12D4_aP19_2_a_cf_12i_3i:Mg-Mn-O-Se, expected MgMn2(SeO4)6 to be MgMn2(SeO3)4" +mp-1278033,Sr2FeReO6,-7.9189892047,-2.5216224478,0.022569223,0.018078539,GGA+U,P-1,AB6CD2_aP40_2_2i_12i_bdi_4i:Fe-O-Re-Sr,40.0,"Invalid WP multiplicities - AB6CD2_aP40_2_2i_24i_2ai_8i:Fe-O-Re-Sr, expected Sr4FeReO12 to be Sr2FeReO6" +mp-552162,Sr2FeReO6,-7.9415584278,-2.5441916708,0.0,-0.004490684,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Fe-O-Re-Sr,40.0,"Invalid WP multiplicities - AB6CD2_mC80_15_2e_7e16f_2e_5f:Fe-O-Re-Sr, expected Sr10Fe2Re2O39 to be Sr2FeReO6" +mp-1218429,Sr4Fe3ReO12,-7.6763754698,-2.4777340116,0.0170357062,0.0170357062,GGA+U,Im-3m,A3B12CD4_cI40_229_b_de_a_c:Fe-O-Re-Sr,40.0,A3B12CD4_cI40_229_b_de_a_c:Fe-O-Re-Sr +mp-1199146,Sr8Fe5Re5O28,-7.9278270141,-2.3496536768,0.1128971454,0.1128971454,GGA+U,P4/mmm,A5B28C5D8_tP46_123_agh_2g2hj2r_cgh_2i:Fe-O-Re-Sr,46.0,A5B28C5D8_tP46_123_agh_2g2hj2r_cgh_2i:Fe-O-Re-Sr +mp-1205578,NdSiOs2C,-8.849944821,-0.474571658,0.0,-0.0617881034,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Nd-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Nd-Os-Si +mp-1210077,Nd12(OsC3)5,-8.1106948872,-0.2424264895,0.0,-0.0933643216,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Nd-Os,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Nd-Os +mp-1099757,Sm2Ti2O5,-8.7925856161,-3.2412967428,0.1973642485,0.1973642485,GGA,Imma,A5B2C2_oI36_74_cgh_h_ae:O-Sm-Ti,18.0,A5B2C2_oI36_74_cgh_h_ae:O-Sm-Ti +mp-22416,SmTiO3,-9.083165728,-3.5923368709,0.0486076472,0.0486076472,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sm-Ti,20.0,A3BC_oP20_62_cd_c_a:O-Sm-Ti +mp-1099583,SmTiO3,-8.93553538,-3.4447065229,0.1962379952,0.1962379952,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sm-Ti,5.0,A3BC_cP5_221_c_a_b:O-Sm-Ti +mp-18082,Sm3Ti3(SeO4)2,-8.639262113400001,-3.3637891697,0.0,-0.0248288574,GGA,P2_1/m,A8B2C3D3_mP32_11_8e_2e_3e_3e:O-Se-Sm-Ti,32.0,"Invalid WP multiplicities - A8B2C3D3_mP32_11_10e_2e_3e_5e:O-Se-Sm-Ti, expected Sm3Ti5(SeO5)2 to be Sm3Ti3(SeO4)2" +mp-3335,Sm2Ti2O7,-9.167469275,-3.7261077039,0.0102303943,0.0102303943,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sm-Ti,22.0,A7B2C2_cF88_227_af_c_d:O-Sm-Ti +mp-1219125,Sm7Ti4(Se2O)6,-7.2055931476,-2.5075538024,0.0265609607,0.0265609607,GGA,Cm,A6B12C7D4_mC58_8_6a_12a_7a_4a:O-Se-Sm-Ti,29.0,A6B12C7D4_mC58_8_6a_12a_7a_4a:O-Se-Sm-Ti +mp-770806,Sm2TiO5,-9.0822960216,-3.8240325412,0.0,-0.0552347937,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Sm-Ti,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_17c_5c_c:O-Sm-Ti, expected Sm5TiO17 to be Sm2TiO5" +mp-752453,Sm2TiO5,-9.0119408772,-3.7536773968,0.0703551444,0.0151203507,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Sm-Ti,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_17c_5c_c:O-Sm-Ti, expected Sm5TiO17 to be Sm2TiO5" +mp-8666,CsAgO,-3.8893903125,-0.9978412836,0.0,-0.1515459284,GGA,I4/mmm,ABC_tI24_139_h_i_j:Ag-Cs-O,12.0,ABC_tI24_139_h_i_j:Ag-Cs-O +mp-554842,Cs5Si3AgO9,-6.2897787844,-2.5061276536,0.0,-0.0076246214,GGA,P2_1/m,AB5C9D3_mP36_11_a_5e_3e3f_3e:Ag-Cs-O-Si,36.0,"Invalid WP multiplicities - AB5C9D3_mP36_11_a_10e_6e11f_4e:Ag-Cs-O-Si, expected Cs10Si4AgO28 to be Cs5Si3AgO9" +mp-1096933,CsAgO2,-4.4177079175,-1.012373968,0.0,-0.1589819966,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ag-Cs-O,8.0,ABC2_oC16_63_c_c_f:Ag-Cs-O +mp-1110899,K2LiSbBr6,-3.365205667,-1.6075164689,0.0249601457,0.0249601457,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Sb +mp-9760,BaTb2PdO5,-7.6246058094,-3.0578244199,0.004388369,0.004388369,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Tb,18.0,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Tb +mp-1112017,K2InSbCl6,-3.646062792,-1.6267925096,0.098802587,0.098802587,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Sb +mp-15573,Tl3AsO4,-5.3733113269,-1.4315859906,0.0,-0.2572830757,GGA,P6_3,AB4C3_hP16_173_b_bc_c:As-O-Tl,16.0,"Invalid WP multiplicities - AB4C3_hP16_173_b_2b3c_c:As-O-Tl, expected Tl3AsO11 to be Tl3AsO4" +mp-18578,TlZnAsO4,-5.6970830925,-1.687331663,0.0,-0.0433704137,GGA,P2_1,AB4CD_mP28_4_2a_8a_2a_2a:As-O-Tl-Zn,28.0,"Invalid WP multiplicities - AB4CD_mP28_4_4a_8a_2a_2a:As-O-Tl-Zn, expected TlZn(AsO2)2 to be TlZnAsO4" +mp-731920,TlAsO4,-5.85221071,-1.3841246439,0.0288927917,-0.0129640452,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-Tl,24.0,AB4C_mP24_14_e_4e_e:As-O-Tl +mp-754214,TlAsO4,-5.8811035017,-1.4130174356,0.0,-0.0418568369,GGA,I4_1/a,AB4C_tI24_88_a_f_b:As-O-Tl,12.0,AB4C_tI24_88_a_f_b:As-O-Tl +mp-1208275,TlAsO6,-5.2046655981,-0.6169288707,0.4428342059,0.4428342059,GGA,Pbca,AB6C_oP64_61_c_6c_c:As-O-Tl,64.0,AB6C_oP64_61_c_6c_c:As-O-Tl +mp-1110801,Rb2YAgBr6,-3.972739742,-1.9149132178,0.0089971853,0.0089971853,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Rb-Y +mp-1112787,Cs2KCeBr6,-4.030825145,-2.2155788624,0.0,-0.0183093589,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-K,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-Cs-K +mp-1190785,CsDy2Cu3S5,-5.3778198045,-1.4606520412,0.0034162409,0.0034162409,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Dy-S,22.0,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Dy-S +mp-605350,RbPbF3,-4.8104920635,-2.7249684545,0.0554394515,0.0342917405,GGA,P-1,A3BC_aP20_2_6i_2i_2i:F-Pb-Rb,20.0,"Invalid WP multiplicities - A3BC_aP20_2_10i_3i_4i:F-Pb-Rb, expected Rb4Pb3F10 to be RbPbF3" +mp-1179717,RbPbF3,-4.8500922785,-2.7645686695,0.0158392365,-0.0053084745,GGA,P-1,A3BC_aP20_2_6i_2i_2i:F-Pb-Rb,20.0,"Invalid WP multiplicities - A3BC_aP20_2_10i_3i_4i:F-Pb-Rb, expected Rb4Pb3F10 to be RbPbF3" +mp-674508,RbPbF3,-4.863992855,-2.778469246,0.00193866,-0.019209051,GGA,Cc,A3BC_mC20_9_3a_a_a:F-Pb-Rb,10.0,"Invalid WP multiplicities - A3BC_mC20_9_4a_a_a:F-Pb-Rb, expected RbPbF4 to be RbPbF3" +mp-1173075,RbPbF3,-4.744235088,-2.658711479,0.121696427,0.100548716,GGA,Ima2,A3BC_oI20_46_a2b_a_b:F-Pb-Rb,10.0,"Invalid WP multiplicities - A3BC_oI20_46_a3b_a_b:F-Pb-Rb, expected RbPbF4 to be RbPbF3" +mp-21043,RbPbF3,-4.831842524,-2.746318915,0.034088991,0.01294128,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Pb-Rb,5.0,A3BC_cP5_221_c_b_a:F-Pb-Rb +mp-1540546,RbPbF3,-4.865931515,-2.780407906,0.0,-0.021147711,GGA,R3c,A3BC_hR30_161_b_a_a:F-Pb-Rb,10.0,A3BC_hR30_161_b_a_a:F-Pb-Rb +mp-989569,Rb2NaPbF6,-4.610514556,-2.7640031247,0.0,-0.0486396253,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Pb-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Pb-Rb +mp-1112947,Cs2GaAuF6,-4.469065377,-2.5128997198,0.1383310062,0.1383310062,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ga,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ga +mp-1112060,K2TbAuCl6,-4.122746327,-2.0007197316,0.1455109479,0.1455109479,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tb +mp-15326,Sm3IrO7,-8.2838856918,-3.0456117315,0.0,-0.0611313716,GGA,Cmcm,AB7C3_oC44_63_a_cgh_bg:Ir-O-Sm,22.0,AB7C3_oC44_63_a_cgh_bg:Ir-O-Sm +mp-7800,LiSmO2,-7.3089611919,-3.1787395858,0.0087160708,0.0087160708,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Li-O-Sm,16.0,AB2C_mP16_14_e_2e_e:Li-O-Sm +mp-11904,LiSm2IrO6,-7.729353959,-2.7428878006,0.0,-0.0526299321,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Li-O-Sm,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_4e_e:Ir-Li-O-Sm, expected LiSm2IrO8 to be LiSm2IrO6" +mp-866146,LiSm2Ir,-5.5157149075,-0.4695825783,0.0029024104,0.0029024104,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Sm +mp-973136,LiSmO3,-6.584905318,-2.2913902909,0.3081785753,0.3081785753,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Sm,5.0,AB3C_cP5_221_b_c_a:Li-O-Sm +mp-989537,Cs2TlInF6,-4.630616486,-2.7932159434,0.0,-0.0459162759,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Tl +mp-567666,Ba3BiN,-4.445894738,-0.8591129630000001,0.0,-0.0960599002,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ba-Bi-N,10.0,A3BC_hP10_194_h_c_a:Ba-Bi-N +mp-1013549,Ba3BiN,-4.389537518,-0.8027557430000001,0.05635722,-0.0397026802,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-Bi-N,5.0,A3BC_cP5_221_c_a_b:Ba-Bi-N +mp-1013710,Ba3BiN,-2.978451112,0.608330663,1.467443626,1.3713837258,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-Bi-N,5.0,A3BC_cP5_221_c_b_a:Ba-Bi-N +mp-1214518,Ba3Sr3(BiN)2,-4.409608273,-0.891670944,0.009621437,0.009621437,GGA,P6_3/mmc,A3B2C2D3_hP20_194_h_ac_f_g:Ba-Bi-N-Sr,20.0,A3B2C2D3_hP20_194_h_ac_f_g:Ba-Bi-N-Sr +mp-1246737,Sr3BiN3,-5.2569350264,-0.41144156,0.396928175,0.396928175,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Bi-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Bi-N-Sr +mp-1246206,Ba3(BiN2)2,-5.4785110317,-0.2803018339,0.4549190625,0.4549190625,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Bi-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Bi-N +mp-1214332,BaSrBi3,-3.7948162415,-0.7688290848,0.0,-0.0037766513,GGA,Pnna,AB3C_oP20_52_c_de_d:Ba-Bi-Sr,20.0,AB3C_oP20_52_c_de_d:Ba-Bi-Sr +mp-1247542,Ba3Bi3N5,-5.5528485495,-0.1927697464,0.4560070719,0.4560070719,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Bi-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Bi-N +mp-1246321,Sr3(BiN2)2,-5.4568168,-0.3351014311,0.3684106888,0.3684106888,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Bi-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Bi-N-Sr +mp-1246221,Sr3Bi3N5,-5.4979628432,-0.2004698999999999,0.4210942069,0.4210942069,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Bi-N-Sr +mp-1013531,Sr3BiN,-2.826885462,0.622207421,1.56567922,1.4189590943,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-N-Sr,5.0,ABC3_cP5_221_b_a_c:Bi-N-Sr +mp-570008,Sr3BiN,-4.392564682,-0.943471799,0.0,-0.1467201257,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-N-Sr,5.0,ABC3_cP5_221_a_b_c:Bi-N-Sr +mp-1223159,La3Nd(GaO3)4,-7.630014859,-3.0775739904,0.0478163737,0.0478163737,GGA,C2,A4B3CD12_mC40_5_2c_ac_b_ab5c:Ga-La-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_mC40_5_4c_ac_b_ab8c:Ga-La-Nd-O, expected La3Nd(Ga4O9)2 to be La3Nd(GaO3)4" +mp-1223104,La3Nd(GaO3)4,-7.63776597,-3.0853251014,0.0400652627,0.0400652627,GGA,Pm,A4B3CD12_mP20_6_2c_a2b_a_2a2b4c:Ga-La-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_mP20_6_4c_a2b_a_2a2b8c:Ga-La-Nd-O, expected La3Nd(Ga2O5)4 to be La3Nd(GaO3)4" +mp-1223331,La2Nd(GaO3)3,-7.6322955438,-3.0826523364,0.0407872127,0.0407872127,GGA,P1,A3B2CD9_aP60_1_12a_8a_4a_36a:Ga-La-Nd-O,60.0,A3B2CD9_aP60_1_12a_8a_4a_36a:Ga-La-Nd-O +mp-1222894,LaNd3(GaO3)4,-7.5998565415,-3.0642016401,0.0383728953,0.0383728953,GGA,Pm,A4BC3D12_mP20_6_2c_a_a2b_2a2b4c:Ga-La-Nd-O,20.0,"Invalid WP multiplicities - A4BC3D12_mP20_6_4c_a_a2b_2a2b8c:Ga-La-Nd-O, expected LaNd3(Ga2O5)4 to be LaNd3(GaO3)4" +mp-558407,In2Si(AgS3)2,-4.5275121218,-0.7627396947,0.0059861477,0.0059861477,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:Ag-In-S-Si,22.0,"Invalid WP multiplicities - A2B2C6D_mC44_9_4a_3a_11a_a:Ag-In-S-Si, expected In3SiAg4S11 to be In2Si(AgS3)2" +mp-1111165,Na2MnHgF6,-4.792123967,-2.4341619621,0.1992576853,0.1992576853,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mn-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mn-Na +mp-1345396,Ca2SnIrO6,-6.9865125995,-2.3325787932,0.06668618,0.06668618,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ir-O-Sn,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_b:Ca-Ir-O-Sn, expected Ca2SnIrO20 to be Ca2SnIrO6" +mp-11957,CaSn2Ir,-5.2971576375,-0.581363195,0.0,-0.0975053756,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ca-Ir-Sn,8.0,ABC2_oC16_63_c_c_f:Ca-Ir-Sn +mp-1200211,Ca3Sn13Ir4,-5.1125593683,-0.4378108445,0.0,-0.0269989429,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ca-Ir-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ca-Ir-Sn +mp-1101256,Tl(SbO3)2,-6.0725850094,-1.594720799,0.0335001307,0.0335001307,GGA,Imma,A6B2C_oI36_74_2ej_ac_b:O-Sb-Tl,18.0,"Invalid WP multiplicities - A6B2C_oI36_74_4e3j_ac_b:O-Sb-Tl, expected Tl(SbO8)2 to be Tl(SbO3)2" +mp-1216957,TlGeSbO5,-6.3339792642,-1.8529647895,0.0,-0.0017465046,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Ge-O-Sb-Tl,64.0,AB5CD_oP64_33_2a_10a_2a_2a:Ge-O-Sb-Tl +mp-1187533,TlGeO3,-5.733962968,-1.3688155409,0.3247865082,0.3247865082,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Tl,5.0,AB3C_cP5_221_b_c_a:Ge-O-Tl +mp-1179620,TlSbO3,-5.222655056,-0.9563129519,0.758883666,0.6092048136,GGA,P-1,A3BC_aP10_2_3i_i_i:O-Sb-Tl,10.0,"Invalid WP multiplicities - A3BC_aP10_2_6i_i_i:O-Sb-Tl, expected TlSbO6 to be TlSbO3" +mp-30058,TlSbO3,-5.981317045,-1.7149749409,0.000221677,-0.1494571754,GGA,R-3,A3BC_hR30_148_f_c_c:O-Sb-Tl,10.0,A3BC_hR30_148_f_c_c:O-Sb-Tl +mp-557787,TlSbO3,-5.981538722,-1.7151966179,0.0,-0.1496788524,GGA,P-31c,A3BC_hP20_163_i_ac_f:O-Sb-Tl,20.0,"Invalid WP multiplicities - A3BC_hP20_163_i_2a2c_f:O-Sb-Tl, expected TlSb2O3 to be TlSbO3" +mp-561465,TlSbO3,-5.8467713965,-1.5804292924,0.1347673255,-0.0149115269,GGA,P6_322,A3BC_hP20_182_i_bc_f:O-Sb-Tl,20.0,"Invalid WP multiplicities - A3BC_hP20_182_i_2b2c_f:O-Sb-Tl, expected TlSb2O3 to be TlSbO3" +mp-30059,Tl2(SbO3)3,-6.0300195312,-1.6276989302,0.0315847453,0.0315847453,GGA,Pn-3,A9B3C2_cP56_201_fh_g_e:O-Sb-Tl,56.0,"Invalid WP multiplicities - A9B3C2_cP56_201_f2h_g_e:O-Sb-Tl, expected Tl2(SbO5)3 to be Tl2(SbO3)3" +mp-752438,Tl3(SbO3)8,-6.0854726,-1.547173502,0.056197231,0.056197231,GGA,P1,A24B8C3_aP35_1_24a_8a_3a:O-Sb-Tl,35.0,A24B8C3_aP35_1_24a_8a_3a:O-Sb-Tl +mp-1201722,Ge3(SbO3)4,-6.6572589376,-1.9338193029,0.0,-0.013276455,GGA,I-43d,A3B12C4_cI76_220_a_e_c:Ge-O-Sb,38.0,A3B12C4_cI76_220_a_e_c:Ge-O-Sb +mp-1043019,Ge2SbO6,-6.6668288192,-1.8829189061,0.1151417022,0.1151417022,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-Sb,36.0,A2B6C_mP36_14_2e_6e_e:Ge-O-Sb +mp-1042897,Ge2SbO6,-6.6831907983,-1.8992808853,0.098779723,0.098779723,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ge-O-Sb,18.0,A2B6C_mC36_15_f_3f_e:Ge-O-Sb +mp-1184711,Ge2Sb2O5,-5.7389240089,-1.0458682593,0.6737280106,0.6737280106,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ge-O-Sb,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ge-O-Sb, expected Ge2Sb2O9 to be Ge2Sb2O5" +mp-27220,Tl5SbO5,-4.9562137943,-1.2584264734,0.0,-0.031299378,GGA,Cmc2_1,A5BC5_oC88_36_4a3b_2a_2a4b:O-Sb-Tl,44.0,A5BC5_oC88_36_4a3b_2a_2a4b:O-Sb-Tl +mp-27271,Tl8Ge5O14,-5.7811870304,-1.660078645,0.0,-0.141054724,GGA,R-3c,A5B14C8_hR162_167_ce_c2f_cf:Ge-O-Tl,54.0,"Invalid WP multiplicities - A5B14C8_hR162_167_c2e_c4f_c2f:Ge-O-Tl, expected Tl7Ge4O13 to be Tl8Ge5O14" +mp-17708,Ge3Sb2O9,-6.7410781546,-1.9805578371,0.0,-0.0004201112,GGA,P6_3/m,A3B9C2_hP28_176_h_hi_f:Ge-O-Sb,28.0,A3B9C2_hP28_176_h_hi_f:Ge-O-Sb +mp-755159,Tl2Ge2O7,-6.04491529,-1.6269004734,0.008662048,0.008662048,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ge-O-Tl,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2af_c:Ge-O-Tl, expected TlGeO4 to be Tl2Ge2O7" +mp-7191,Sr3GaN3,-5.5185549107,-0.7891176025000001,0.0,-0.0383356375,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ga-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Ga-N-Sr +mp-18635,Sr6GaN5,-5.3108118433,-0.7401842294000001,0.0041403792,0.0041403792,GGA,P6_3/mcm,AB5C6_hP24_193_a_dg_k:Ga-N-Sr,24.0,"Invalid WP multiplicities - AB5C6_hP24_193_a_2d2g_k:Ga-N-Sr, expected Sr6GaN10 to be Sr6GaN5" +mp-1218272,SrGaGe,-3.6386468933,-0.5251077831000001,0.0149352475,-0.0196753175,GGA,P-6m2,ABC_hP3_187_a_c_f:Ga-Ge-Sr,3.0,ABC_hP3_187_a_c_f:Ga-Ge-Sr +mp-1102705,SrGaGe,-3.6535821408,-0.5400430306,0.0,-0.034610565,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ga-Ge-Sr,12.0,ABC_hP12_194_f_f_ab:Ga-Ge-Sr +mp-867219,Sr2GaGeN,-4.605898672,-0.7325775302,0.0,-0.044504593,GGA,P2_1/m,ABCD2_mP10_11_e_e_e_2e:Ga-Ge-N-Sr,10.0,"Invalid WP multiplicities - ABCD2_mP10_11_e_e_e_3e:Ga-Ge-N-Sr, expected Sr3GaGeN to be Sr2GaGeN" +mp-18290,Sr6Ga5N,-3.3234221875,-0.5222608744,0.0,-0.0230419415,GGA,R-3c,A5BC6_hR72_167_ce_b_f:Ga-N-Sr,24.0,"Invalid WP multiplicities - A5BC6_hR72_167_c2e_b_f:Ga-N-Sr, expected Sr6Ga8N to be Sr6Ga5N" +mp-570971,Sr3Ga3N5,-5.8218347755,-0.7459035889000001,0.0,-0.0006450207,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Sr,22.0,"Invalid WP multiplicities - A3B5C3_aP22_2_5i_9i_4i:Ga-N-Sr, expected Sr4Ga5N9 to be Sr3Ga3N5" +mp-1246429,Ga3Ge3N5,-6.0803492164,-0.204363193,0.2327399866,0.2327399866,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ga-Ge-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ga-Ge-N +mp-1246432,Ga2Ge3N4,-5.9585871511,-0.0395587833,0.3487191319,0.3487191319,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Ga-Ge-N,18.0,A2B3C4_mC36_15_f_ef_2f:Ga-Ge-N +mp-1246767,Ga5(GeN3)3,-6.2946286032,-0.1747451913,0.3136451741,0.3136451741,GGA,Cmce,A5B3C9_oC136_64_d2fg_e2f_3f3g:Ga-Ge-N,68.0,A5B3C9_oC136_64_d2fg_e2f_3f3g:Ga-Ge-N +mp-16945,Sr3(GaN2)2,-5.7060958464,-0.7649122792,0.0,-0.0022032406,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Sr +mp-1220473,NbTlTeO6,-7.0897372544,-2.0578054381,0.0,-0.0513542566,GGA,Ima2,AB6CD_oI36_46_b_2b2c_a_b:Nb-O-Te-Tl,18.0,"Invalid WP multiplicities - AB6CD_oI36_46_b_4b8c_a_b:Nb-O-Te-Tl, expected NbTlTeO20 to be NbTlTeO6" +mp-674348,Gd2MnS4,-9.5415904286,-1.8472962515,0.0829815711,0.0829815711,GGA,I-42d,A2BC4_tI28_122_d_a_e:Gd-Mn-S,14.0,A2BC4_tI28_122_d_a_e:Gd-Mn-S +mp-1191699,Gd3MnGaS7,-8.7812540483,-1.8334517898,0.0,-0.0007431716,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Ga-Gd-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Ga-Gd-Mn-S +mp-1078453,BaAlGeF,-4.8650023225,-1.8152379244,0.0,-0.0058827475,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Al-Ba-F-Ge,8.0,ABCD_tP8_129_a_c_b_c:Al-Ba-F-Ge +mp-570482,Ba(AlGe)2,-4.127814276,-0.396577814,0.0,-0.0784239152,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Al-Ba-Ge,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_6c_c_5c:Al-Ba-Ge, expected BaAl6Ge5 to be Ba(AlGe)2" +mp-31059,Ba(AlGe)2,-4.123580808,-0.392344346,0.004233468,-0.0741904472,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ba-Ge,5.0,A2BC2_tI10_139_d_a_e:Al-Ba-Ge +mp-14006,BaGeF6,-5.654855255,-3.40349568,0.0,-0.1607841763,GGA,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Ge,8.0,AB6C_hR24_166_a_h_b:Ba-F-Ge +mp-13272,BaAlGe,-3.9050840633,-0.4758911883,0.0,-0.0196170901,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Ba-Ge,3.0,ABC_hP3_187_a_d_e:Al-Ba-Ge +mp-10669,Ba3(AlGe)2,-3.6917520929,-0.4783046371,0.0,-0.0233226675,GGA,Immm,A2B3C2_oI14_71_e_af_f:Al-Ba-Ge,7.0,"Invalid WP multiplicities - A2B3C2_oI14_71_e_a2f_f:Al-Ba-Ge, expected Ba5(AlGe)2 to be Ba3(AlGe)2" +mp-567067,Ba7Al4Ge9,-4.018826436,-0.5177075062000001,0.0,-0.0058088132,GGA,Fmm2,A4B7C9_oF80_42_2c_abe_a3cd:Al-Ba-Ge,20.0,"Invalid WP multiplicities - A4B7C9_oF80_42_2c_a2b3e_a5c2d:Al-Ba-Ge, expected Ba17Al4Ge15 to be Ba7Al4Ge9" +mp-570390,Ba5Al2Ge7,-4.0592748625,-0.5273304807,0.0,-0.0005668625,GGA,C2/m,A2B5C7_mC56_12_2i_ghij_5ij:Al-Ba-Ge,28.0,"Invalid WP multiplicities - A2B5C7_mC56_12_3i_2g2hi3j_10i2j:Al-Ba-Ge, expected Ba11Al3Ge14 to be Ba5Al2Ge7" +mp-27568,Ba10Al3Ge7,-3.644679288,-0.5052956942,0.0056085553,0.0056085553,GGA,P6_3/mcm,A3B10C7_hP40_193_g_cdk_ak:Al-Ba-Ge,40.0,"Invalid WP multiplicities - A3B10C7_hP40_193_g_cdk_2a3k:Al-Ba-Ge, expected Ba10Al3Ge20 to be Ba10Al3Ge7" +mp-1214500,Cs2Re3Se4I3,-5.8565650672,-1.0625541289,0.0,-0.0073761843,GGA,P2_1/c,A2B3C3D4_mP96_14_4e_6e_6e_8e:Cs-I-Re-Se,96.0,A2B3C3D4_mP96_14_4e_6e_6e_8e:Cs-I-Re-Se +mp-680185,CsRe6Se8I3,-6.8172047939,-0.8199849965,0.0,-0.0656289964,GGA,P2_1/c,AB3C6D8_mP72_14_e_3e_6e_8e:Cs-I-Re-Se,72.0,"Invalid WP multiplicities - AB3C6D8_mP72_14_e_8e_19e_30e:Cs-I-Re-Se, expected CsRe19(Se15I4)2 to be CsRe6Se8I3" +mp-1224412,K3Sm4(CuTe2)5,-4.5002110418,-1.1304549662,0.0146164865,0.0146164865,GGA,Pmn2_1,A5B3C4D10_oP44_31_5a_3a_4a_10a:Cu-K-Sm-Te,44.0,"Invalid WP multiplicities - A5B3C4D10_oP44_31_7a_4a_6a_15a:Cu-K-Sm-Te, expected K4Sm6Cu7Te15 to be K3Sm4(CuTe2)5" +mp-1219189,Sm(CuTe)3,-4.4734043564,-0.6953866671000001,0.0461301864,0.0461301864,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Sm-Te,14.0,A3BC3_hR42_148_f_c_f:Cu-Sm-Te +mp-9036,KSmTe2,-4.6481924275,-1.6192932103,0.0,-0.1239828203,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Sm-Te,4.0,ABC2_hR12_166_a_b_c:K-Sm-Te +mp-1219248,Sm2CuTe4,-4.9949195343,-1.2649763181,0.0358834193,0.0358834193,GGA,P2_1,AB2C4_mP14_4_a_2a_4a:Cu-Sm-Te,14.0,"Invalid WP multiplicities - AB2C4_mP14_4_a_3a_5a:Cu-Sm-Te, expected Sm3CuTe5 to be Sm2CuTe4" +mp-1206646,Mn2VSn,-7.85641574,-0.0020386127,0.1400024143,0.1400024143,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Sn-V,4.0,A2BC_cF16_225_c_a_b:Mn-Sn-V +mp-631555,MnVNi,-7.41957145,0.5891145640000001,0.8264400267,0.8264400267,GGA,F-43m,ABC_cF12_216_c_a_b:Mn-Ni-V,3.0,ABC_cF12_216_c_a_b:Mn-Ni-V +mp-20864,VNi2Sn,-6.2782243475,-0.1147865262,0.1141439955,0.1141439955,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-V,4.0,A2BC_cF16_225_c_a_b:Ni-Sn-V +mp-1221615,MnV(Ni2Sn)2,-6.31589308,-0.142691606,0.1093174459,0.1093174459,GGA,R-3m,AB4C2D_hR24_166_a_2c_c_b:Mn-Ni-Sn-V,8.0,"Invalid WP multiplicities - AB4C2D_hR24_166_a_3c_c_b:Mn-Ni-Sn-V, expected MnV(Ni3Sn)2 to be MnV(Ni2Sn)2" +mp-540925,Hg2AsF6,-3.8853897381,-2.0259060781,0.0039914678,0.0039914678,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:As-F-Hg,36.0,AB6C2_mP36_14_e_6e_2e:As-F-Hg +mp-675640,Hg2AsF6,-3.77543489,-1.91595123,0.1139463158,0.1139463158,GGA,I4_1/amd,AB6C2_tI36_141_a_eg_d:As-F-Hg,18.0,"Invalid WP multiplicities - AB6C2_tI36_141_a_2e3g_d:As-F-Hg, expected Hg2AsF16 to be Hg2AsF6" +mp-1195481,HgAs2Xe5F22,-3.2920929825,-1.5635821388,0.0,-0.0158390174,GGA,Pna2_1,A2B22CD5_oP120_33_2a_22a_a_5a:As-F-Hg-Xe,120.0,A2B22CD5_oP120_33_2a_22a_a_5a:As-F-Hg-Xe +mp-27292,Hg3As2F12,-4.0910891341,-2.1400876332,0.0,-0.0329640881,GGA,P2_1/c,A2B12C3_mP34_14_e_6e_ae:As-F-Hg,34.0,"Invalid WP multiplicities - A2B12C3_mP34_14_e_7e_ae:As-F-Hg, expected Hg3As2F14 to be Hg3As2F12" +mp-1195247,HgAsF7,-4.2528860103,-2.2147580611,0.0,-0.0517867153,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:As-F-Hg,36.0,AB7C_mP36_14_e_7e_e:As-F-Hg +mp-1246380,Li3NiN2,-4.9192552838,-0.2226060954,0.2343752378,0.2343752378,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-Ni,,A3B2C_tI48_141_eg_h_e:Li-N-Ni +mp-1246064,Li3NiN2,-5.022121466,-0.3254722777,0.1315090555,0.1315090555,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Ni,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Ni +mp-1245437,Sr(NiN)2,-6.154698628,-0.1701472953,0.2931553051,0.2931553051,GGA,P-3m1,A2B2C_hP5_164_d_d_a:N-Ni-Sr,5.0,A2B2C_hP5_164_d_d_a:N-Ni-Sr +mp-1246162,Sr3(NiN2)2,-5.9109154022,-0.3581672444,0.3362293213,0.3362293213,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Ni-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Ni-Sr +mp-1245725,Sr3(NiN2)2,-5.9380400314,-0.3852918736,0.3091046921,0.3091046921,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Ni-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Ni-Sr +mp-568989,Li7NiN4,-4.7192446096000005,-0.3451965724,0.1071378324,0.1071378324,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Ni,96.0,"Invalid WP multiplicities - A7B4C_cP96_218_4b6c8e12f13i_6e7i_ad:Li-N-Ni, expected Li145(NiN27)2 to be Li7NiN4" +mp-7080,Li5(NiN)3,-5.1872001027,-0.4695174529,0.0,-0.0575214476,GGA,P-62m,A5B3C3_hP11_189_cf_f_g:Li-N-Ni,11.0,A5B3C3_hP11_189_cf_f_g:Li-N-Ni +mp-1246578,Sr3NiN3,-5.6999269329,-0.5773409593000001,0.1141354137,0.1141354137,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Ni-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Ni-Sr +mp-669418,Sr2NiN2,-5.84327748,-0.6768547927,0.0095610302,0.0095610302,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:N-Ni-Sr,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_5c:N-Ni-Sr, expected Sr5NiN5 to be Sr2NiN2" +mp-1218737,Sr2NiN2,-5.845936532,-0.6795138447,0.0069019782,0.0069019782,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Ni-Sr,5.0,A2BC2_tI10_139_e_a_e:N-Ni-Sr +mp-568322,Sr3Li3(NiN)4,-5.4152350579,-0.6108225307,0.0,-0.0466338938,GGA,Immm,A3B4C4D3_oI28_71_af_ef_m_be:Li-N-Ni-Sr,14.0,A3B4C4D3_oI28_71_af_ef_m_be:Li-N-Ni-Sr +mp-1245839,Sr3Ni3N5,-6.1824840664,-0.3559963368,0.2491718107,0.2491718107,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Ni-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Ni-Sr +mp-1246821,Sr8Ni3N8,-5.7425173805,-0.6083954296,0.0817492196,0.0817492196,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:N-Ni-Sr,19.0,A8B3C8_mC38_12_4i_ai_4i:N-Ni-Sr +mp-1246747,SrNi5N4,-6.4625505575,-0.0689349022,0.221254275,0.221254275,GGA,Pmmn,A4B5C_oP20_59_ef_ag_b:N-Ni-Sr,20.0,A4B5C_oP20_59_ef_ag_b:N-Ni-Sr +mp-1218941,Sr10Li24NiN15,-4.435520078,-0.5647872002000001,0.0023690211,0.0023690211,GGA,Cmmm,A24B15CD10_oC100_65_7g5h_a2g5h_b_5h:Li-N-Ni-Sr,50.0,"Invalid WP multiplicities - A24B15CD10_oC100_65_12g9h_a3g9h_b_9h:Li-N-Ni-Sr, expected Sr18Li42NiN25 to be Sr10Li24NiN15" +mp-1222476,Li6Ni2N3,-4.80228665,-0.4365325286,0.0279155478,0.0279155478,GGA,Amm2,A6B3C2_oC22_38_ab2d_ad_e:Li-N-Ni,11.0,"Invalid WP multiplicities - A6B3C2_oC22_38_ab3d_ad_e:Li-N-Ni, expected Li8Ni2N3 to be Li6Ni2N3" +mp-21524,SrNiN,-5.9433162253,-0.6746078725,0.0,-0.1083463353,GGA,Pnma,ABC_oP36_62_cd_ad_cd:N-Ni-Sr,36.0,ABC_oP36_62_cd_ad_cd:N-Ni-Sr +mp-1210761,Li2NiN,-4.9221845675,-0.4385652329,0.0,-0.001573855,GGA,P6/mmm,A2BC_hP4_191_c_a_b:Li-N-Ni,4.0,A2BC_hP4_191_c_a_b:Li-N-Ni +mp-29719,LiNiN,-5.52353942,-0.1816879294,0.1946087978,0.1946087978,GGA,P-6m2,ABC_hP3_187_c_a_b:Li-N-Ni,3.0,ABC_hP3_187_c_a_b:Li-N-Ni +mp-1246281,Sr5NiN4,-5.0897864702,-0.3324281056,0.3515870143,0.3515870143,GGA,P2_1/m,A4BC5_mP80_11_4e6f_2ef_a5e7f:N-Ni-Sr,80.0,A4BC5_mP80_11_4e6f_2ef_a5e7f:N-Ni-Sr +mp-1112673,Cs2LiSbI6,-2.926202839,-1.2593101439,0.035539827,0.035539827,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Sb +mp-1518764,BaTb2SmO6,-8.0320515005,-3.4734089463,0.0966493599,0.0966493599,GGA,Pmc2_1,AB6CD2_oP20_26_a_ab2c_b_c:Ba-O-Sm-Tb,20.0,"Invalid WP multiplicities - AB6CD2_oP20_26_a_a2b6c_b_c:Ba-O-Sm-Tb, expected BaTb2SmO15 to be BaTb2SmO6" +mp-1518649,BaTb2SmO6,-7.849599913,-3.2909573588,0.2791009474,0.2791009474,GGA,Cmmm,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sm-Tb,10.0,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sm-Tb +mp-1518822,BaTb2SmO6,-7.95974679,-3.4011042358,0.1689540704,0.1689540704,GGA,P4_2/mmc,AB6CD2_tP40_131_ac_opq_bd_n:Ba-O-Sm-Tb,40.0,"Invalid WP multiplicities - AB6CD2_tP40_131_ac_5o5pq_2b2d_n:Ba-O-Sm-Tb, expected BaTb2Sm2O22 to be BaTb2SmO6" +mp-756118,TbSmO3,-8.679432099,-3.8408284253,0.082701226,0.082701226,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sm-Tb,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Sm-Tb, expected TbSmO7 to be TbSmO3" +mp-1518589,BaTb4SmO12,-7.4501448589,-2.7537398583,0.3601416969,0.3601416969,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ba-O-Sm-Tb,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ba-O-Sm-Tb, expected BaTb4SmO18 to be BaTb4SmO12" +mp-1200343,KCa2Cd2Sb3,-3.1320686369,-0.7127708935,0.0,-0.0013482784,GGA,Pnma,A2B2CD3_oP32_62_2c_2c_c_3c:Ca-Cd-K-Sb,32.0,A2B2CD3_oP32_62_2c_2c_c_3c:Ca-Cd-K-Sb +mp-7430,Ca(CdSb)2,-2.954466114,-0.532589738,0.0,-0.0481757028,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Cd-Sb,5.0,AB2C2_hP5_164_a_d_d:Ca-Cd-Sb +mp-569267,Ca2CdSb2,-3.5005151455,-0.8620967455,0.0,-0.0473404627,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Ca-Cd-Sb,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_4c_c_4c:Ca-Cd-Sb, expected Ca4CdSb4 to be Ca2CdSb2" +mp-30427,BaZnBi2,-3.2259018663,-0.5109776638,0.0,-0.0046189663,GGA,I4/mmm,AB2C_tI16_139_e_ce_d:Ba-Bi-Zn,8.0,"Invalid WP multiplicities - AB2C_tI16_139_e_2c2e_d:Ba-Bi-Zn, expected BaZnBi4 to be BaZnBi2" +mp-1046956,BaZn(BiO2)4,-5.81104636,-1.6600331629,0.2257544513,0.2257544513,GGA,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Bi-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Bi-O-Zn +mp-1079130,Ba2ZnBi2,-3.31639885,-0.7606645,0.0,-0.031096035,GGA,Ibam,A2B2C_oI20_72_j_j_a:Ba-Bi-Zn,10.0,A2B2C_oI20_72_j_j_a:Ba-Bi-Zn +mp-1113873,Rb2TlAsF6,-4.608142645,-2.5629722948,0.0,-0.0038103115,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-Rb-Tl +mp-1210433,Na2MgGaF7,-5.1255382577,-3.2479219457,0.0,-0.0116926298,GGA,Imma,A7BCD2_oI44_74_ehj_a_c_bd:F-Ga-Mg-Na,22.0,"Invalid WP multiplicities - A7BCD2_oI44_74_2e2hj_a_c_bd:F-Ga-Mg-Na, expected Na2MgGaF10 to be Na2MgGaF7" +mp-1017288,NaMg6Ga,-1.7254340669,0.0186036351,0.0866062779,0.0866062779,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Na, expected NaMg12Ga to be NaMg6Ga" +mp-1017302,NaMg6Ga,-1.7260918031,0.0179458989,0.0859485416,0.0859485416,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Na, expected NaMg12Ga to be NaMg6Ga" +mp-1026697,NaMg14Ga,-1.6702051056,0.0019537704,0.0492953928,0.0492953928,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Na, expected NaMg18Ga to be NaMg14Ga" +mp-1026652,NaMg14Ga,-1.6613045562000002,0.0108543197,0.0581959422,0.0581959422,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Na, expected NaMg26Ga to be NaMg14Ga" +mp-1224629,GdFe2BiO6,-8.640555174,-2.1868765683,0.0566717542,0.0566717542,GGA+U,Pmc2_1,AB2CD6_oP20_26_a_c_b_ab2c:Bi-Fe-Gd-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_26_a_c_b_ab3c:Bi-Fe-Gd-O, expected GdFe2BiO8 to be GdFe2BiO6" +mp-1070662,Gd2BiO2,-11.30283824,-2.9256160335,0.0,-0.075701464,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Gd-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Gd-O +mp-756698,Gd(BiO2)4,-7.3104867146,-2.0019029877,0.0585689065,0.0585689065,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Gd-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Gd-O +mp-1178246,Gd3(BiO4)2,-9.7610864354,-2.8777899223,0.0418613969,0.0418613969,GGA,Cm,A2B3C8_mC26_8_2a_3a_8a:Bi-Gd-O,13.0,A2B3C8_mC26_8_2a_3a_8a:Bi-Gd-O +mp-1103896,Gd3BiO3,-11.754754465,-3.0534798959,0.0,-0.0048318671,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Bi-Gd-O,14.0,AB3C3_mC28_12_i_3i_3i:Bi-Gd-O +mp-1225148,GdFe4(BiO4)3,-7.870315104,-1.9284181537,0.0358968556,0.0358968556,GGA+U,Pm,A3B4CD12_mP20_6_a2b_2c_a_2a2b4c:Bi-Fe-Gd-O,20.0,"Invalid WP multiplicities - A3B4CD12_mP20_6_a2b_4c_a_2a2b8c:Bi-Fe-Gd-O, expected GdFe8Bi3O20 to be GdFe4(BiO4)3" +mp-1235716,LiCr4(HgO4)2,-7.1388151293,-1.7586829182,0.2051463458,0.2051463458,GGA+U,Cm,A4B2CD8_mC30_8_2ab_2a_a_4a2b:Cr-Hg-Li-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_8_2ab_2a_a_4a4b:Cr-Hg-Li-O, expected LiCr4(HgO6)2 to be LiCr4(HgO4)2" +mp-1235076,LiCr4(HgO4)2,-7.1263480033,-1.7462157922,0.2176134718,0.2176134718,GGA+U,R-3m,A4B2CD8_hR45_166_ad_c_b_ch:Cr-Hg-Li-O,15.0,"Invalid WP multiplicities - A4B2CD8_hR45_166_ad_c_b_2c2h:Cr-Hg-Li-O, expected LiCr4(HgO8)2 to be LiCr4(HgO4)2" +mp-1236197,LiCr4(HgO4)2,-6.9214098587,-1.5412776476,0.4225516165,0.4225516165,GGA+U,F-43m,A4B2CD8_cF60_216_e_ac_b_2e:Cr-Hg-Li-O,15.0,"Invalid WP multiplicities - A4B2CD8_cF60_216_e_ac_b_5e:Cr-Hg-Li-O, expected LiCr4(HgO10)2 to be LiCr4(HgO4)2" +mp-6603,Sr2CeIrO6,-7.6262490365,-2.8431847856,0.0,-0.007681941,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ce-Ir-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ce-Ir-O-Sr +mp-1095163,Pt(Cl3O)2,-2.3616818333,0.6445104669,1.1427347014,1.1427347014,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-O-Pt,9.0,A6B2C_cF36_225_e_c_a:Cl-O-Pt +mp-1210444,NaClO5,-4.2199038229,-0.2335458929,0.6307523038,0.6307523038,GGA,P-1,ABC5_aP14_2_i_i_5i:Cl-Na-O,14.0,ABC5_aP14_2_i_i_5i:Cl-Na-O +mp-28602,Na3ClO,-3.861942746,-1.7093824957,0.0,-0.00216,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cl-Na-O,5.0,AB3C_cP5_221_a_c_b:Cl-Na-O +mp-655586,NaClO3,-4.2101978265,-0.6079722091,0.5105025553,0.5105025553,GGA,P1,ABC3_aP20_1_4a_4a_12a:Cl-Na-O,20.0,ABC3_aP20_1_4a_4a_12a:Cl-Na-O +mp-1180278,NaClO3,-4.3076190715,-0.7053934541,0.4130813102,0.4130813102,GGA,P1,ABC3_aP20_1_4a_4a_12a:Cl-Na-O,20.0,"Invalid WP multiplicities - ABC3_hR60_146_ab_a2b_12b:Cl-Na-O, expected Na7(ClO9)4 to be NaClO3" +mp-630949,NaClO3,-4.1478600315,-0.5456344141,0.5728403502,0.5728403502,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Cl-Na-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_9e:Cl-Na-O, expected NaClO9 to be NaClO3" +mp-1180505,NaClO3,-4.0187766135,-0.4165509961,0.7019237683,0.7019237683,GGA,R3,ABC3_hR60_146_ab_ab_4b:Cl-Na-O,20.0,"Invalid WP multiplicities - ABC3_hR60_146_ab_a2b_12b:Cl-Na-O, expected Na7(ClO9)4 to be NaClO3" +mp-23330,NaClO3,-4.6858530225,-1.0836274051,0.0348473593,0.0348473593,GGA,P2_13,ABC3_cP20_198_a_a_b:Cl-Na-O,20.0,ABC3_cP20_198_a_a_b:Cl-Na-O +mp-555726,NaClO3,-4.652248139,-1.0500225216,0.0684522428,0.0684522428,GGA,P2_13,ABC3_cP20_198_a_a_b:Cl-Na-O,20.0,ABC3_cP20_198_a_a_b:Cl-Na-O +mp-2720358,NaClO3,-4.690814744,-1.0885891266,0.0298856378,0.0298856378,GGA,P2_13,ABC3_cP20_198_a_a_b:Cl-Na-O,20.0,ABC3_cP20_198_a_a_b:Cl-Na-O +mp-1105341,Na2Pt(ClO)6,-3.9229740367,-0.623804961,0.3816140071,0.3816140071,GGA,P-1,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Pt,15.0,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Pt +mp-1180244,Na2Pt(ClO)6,-3.83799948,-0.5388304044000001,0.4665885638,0.4665885638,GGA,P-1,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Pt,15.0,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Pt +mp-561368,NaClO4,-4.8081636542,-0.9818608544,0.0264870417,-0.074703249,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cl-Na-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_5c5d:Cl-Na-O, expected NaClO15 to be NaClO4" +mp-22968,NaClO4,-4.8346506958,-1.0083478961,0.0,-0.1011902906,GGA,Cmcm,ABC4_oC24_63_c_c_fg:Cl-Na-O,12.0,ABC4_oC24_63_c_c_fg:Cl-Na-O +mp-38103,NaClO4,-4.8306574267,-1.0043546269,0.0039932692,-0.0971970215,GGA,I-42m,ABC4_tI12_121_a_b_i:Cl-Na-O,6.0,ABC4_tI12_121_a_b_i:Cl-Na-O +mp-546118,NaClO4,-4.72318903,-0.8968862303,0.1114616658,0.0102713752,GGA,F-43m,ABC4_cF24_216_a_b_e:Cl-Na-O,6.0,ABC4_cF24_216_a_b_e:Cl-Na-O +mp-1197699,Pt2Cl8O7,-3.5955426851,0.0254797207,0.6091063522,0.6091063522,GGA,Pbcn,A8B7C2_oP68_60_4d_c3d_d:Cl-O-Pt,68.0,A8B7C2_oP68_60_4d_c3d_d:Cl-O-Pt +mp-676673,NaClO2,-4.1740408487,-0.9079310048,0.3757340619,0.3757340619,GGA,Pc,ABC2_mP8_7_a_a_2a:Cl-Na-O,8.0,ABC2_mC8_8_a_a_b:Cl-Na-O +mp-30965,NaClO2,-4.2641053813,-0.9979955373,0.2856695294,0.2856695294,GGA,C2/c,ABC2_mC16_15_e_e_f:Cl-Na-O,8.0,ABC2_mC16_15_e_e_f:Cl-Na-O +mp-1188903,PtCl4O5,-3.8602590395,-0.0403866879,0.5033767746,0.5033767746,GGA,Cc,A4B5C_mC40_9_4a_5a_a:Cl-O-Pt,20.0,A4B5C_mC40_9_4a_5a_a:Cl-O-Pt +mp-680403,K2In3AgSe6,-3.8363332723,-0.9793437762,0.0085552683,-0.0007559152,GGA,C2/c,AB3C2D6_mC96_15_f_2e2f_2f_6f:Ag-In-K-Se,48.0,"Invalid WP multiplicities - AB3C2D6_mC96_15_f_4e6f_6f_19f:Ag-In-K-Se, expected K6In8AgSe19 to be K2In3AgSe6" +mp-21705,K2In3AgSe6,-3.8448885406,-0.9878990445,0.0,-0.0093111835,GGA,C2/c,AB3C2D6_mC96_15_2e_3f_2f_6f:Ag-In-K-Se,48.0,AB3C2D6_mC96_15_2e_3f_2f_6f:Ag-In-K-Se +mp-570411,K12In2Se9,-3.4455966889000003,-1.259015901,0.0,-0.044710957,GGA,P2_1/c,A2B12C9_mP92_14_2e_12e_9e:In-K-Se,92.0,"Invalid WP multiplicities - A2B12C9_mP92_14_5e_45e_33e:In-K-Se, expected K45In5Se33 to be K12In2Se9" +mp-568644,K9InSe7,-3.4335551554,-1.2443401792,0.0,-0.0047331021,GGA,P2_1/c,AB9C7_mP68_14_e_9e_7e:In-K-Se,68.0,"Invalid WP multiplicities - AB9C7_mP68_14_e_34e_26e:In-K-Se, expected K34InSe26 to be K9InSe7" +mp-675614,K2In12Se19,-3.9430919312,-0.8623852424,0.0243993209,0.0214384741,GGA,R-3,A12B2C19_hR99_148_2f_c_a3f:In-K-Se,33.0,"Invalid WP multiplicities - A12B2C19_hR99_148_7f_c_a16f:In-K-Se, expected K2In42Se97 to be K2In12Se19" +mp-21836,K2In12Se19,-3.9674912521,-0.8867845633,0.0,-0.0029608468,GGA,R-3,A12B2C19_hR198_148_4f_2c_c6f:In-K-Se,66.0,A12B2C19_hR198_148_4f_2c_c6f:In-K-Se +mp-505700,KInSe2,-3.8535053481,-1.14002894,0.0,-0.1003636488,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:In-K-Se,32.0,ABC2_mC64_15_2f_2f_2e3f:In-K-Se +mp-1120779,KInSe2,-3.8268416788,-1.1133652707,0.0266636694,-0.0736999794,GGA,I-42d,ABC2_tI16_122_a_b_d:In-K-Se,8.0,ABC2_tI16_122_a_b_d:In-K-Se +mp-723984,Rb2InCl5O,-3.3297023361,-1.2294663488,0.5026309733000001,0.5026309733000001,GGA,Pnma,A5BCD2_oP36_62_3cd_c_c_d:Cl-In-O-Rb,36.0,A5BCD2_oP36_62_3cd_c_c_d:Cl-In-O-Rb +mp-1209459,RbIn3O5,-5.7037550083,-1.9294184729,0.0,-0.0041813506,GGA,Pnma,A3B5C_oP36_62_3c_5c_c:In-O-Rb,36.0,A3B5C_oP36_62_3c_5c_c:In-O-Rb +mp-975299,RbInO3,-4.96813082,-1.2536740327,0.2932204477,0.2932204477,GGA,Pm-3m,AB3C_cP5_221_b_c_a:In-O-Rb,5.0,AB3C_cP5_221_b_c_a:In-O-Rb +mp-27563,Rb2In4O7,-5.5584429538,-1.8973180274,0.0,-0.0065074803,GGA,P-31m,A4B7C2_hP13_162_de_ak_c:In-O-Rb,13.0,"Invalid WP multiplicities - A4B7C2_hP13_162_2d2e_a2k_c:In-O-Rb, expected Rb2In8O13 to be Rb2In4O7" +mp-755643,Rb3InO3,-4.5671665721,-1.6338305605,0.0087861779,-0.1456512239,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:In-O-Rb,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2ij_gh2i:In-O-Rb, expected Rb4InO4 to be Rb3InO3" +mp-761025,Rb3InO3,-4.559484065,-1.6261480534,0.016468685,-0.1379687168,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:In-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:In-O-Rb, expected Rb9InO9 to be Rb3InO3" +mp-849527,Rb3InO3,-4.57595275,-1.6426167384,0.0,-0.1544374018,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:In-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:In-O-Rb, expected Rb9InO9 to be Rb3InO3" +mp-579536,CsCu2ICl2,-3.5277377525,-1.1503618555,0.0,-0.0152008169,GGA,P2_1/m,A2BC2D_mP12_11_2e_e_f_e:Cl-Cs-Cu-I,12.0,"Invalid WP multiplicities - A2BC2D_mP12_11_4e_e_f_e:Cl-Cs-Cu-I, expected CsCu2ICl4 to be CsCu2ICl2" +mp-23481,Cs3Cu2I5,-3.0539442145,-1.2287989939,0.0,-0.023108746,GGA,Pnma,A3B2C5_oP40_62_cd_2c_3cd:Cs-Cu-I,40.0,"Invalid WP multiplicities - A3B2C5_oP40_62_cd_3c_5cd:Cs-Cu-I, expected Cs3Cu3I7 to be Cs3Cu2I5" +mp-1225703,Cu4I3Cl,-3.0441202475,-0.2109374487,0.2372615381,0.2372615381,GGA,Pmmm,AB4C3_oP8_47_a_cdk_bl:Cl-Cu-I,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_cd2k_b2l:Cl-Cu-I, expected Cu6I5Cl to be Cu4I3Cl" +mp-23431,CsCu2I3,-3.0879650142,-0.8356458872,0.0107518617,0.0107518617,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Cs-Cu-I,12.0,AB2C3_oC24_63_c_e_cg:Cs-Cu-I +mp-1110717,K2RbMoCl6,-4.345400274,-1.8315800704,0.0880227407,0.0880227407,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Mo-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Mo-Rb +mp-1018738,LaAl2BRu2,-6.9181499417,-0.642257339,0.0,-0.0414550675,GGA,P4/mmm,A2BCD2_tP6_123_h_b_a_e:Al-B-La-Ru,6.0,A2BCD2_tP6_123_h_b_a_e:Al-B-La-Ru +mp-29674,Al2B2Ru3,-7.4245167986,-0.4712106812,0.0794127179,0.0794127179,GGA,Cmmm,A2B2C3_oC14_65_h_h_ag:Al-B-Ru,7.0,"Invalid WP multiplicities - A2B2C3_oC14_65_h_h_a2g:Al-B-Ru, expected Al2B2Ru5 to be Al2B2Ru3" +mp-1211269,La(Al5Ru)2,-5.2092655262,-0.521529335,0.0,-0.0283752176,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-La-Ru,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-La-Ru +mp-29723,LaB2Ru3,-8.1012592633,-0.4149262189,0.0061708839,0.0061708839,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-La-Ru,6.0,A2BC3_hP6_191_c_a_g:B-La-Ru +mp-1185199,La5Al2Ru3,-6.4549328405,-0.45549336,0.0,-0.048886296,GGA,I2_13,A2B5C3_cI40_199_a_ab_b:Al-La-Ru,20.0,A2B5C3_cI40_199_a_ab_b:Al-La-Ru +mp-7347,La(BRu)4,-8.11869093,-0.4796704469,0.0,-0.0760951537,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-La-Ru,18.0,A4BC4_tP18_86_g_a_g:B-La-Ru +mp-4676,La3(B3Ru4)2,-8.0387847124,-0.4458675206,0.0,-0.0163014994,GGA,Fmmm,A6B3C8_oF68_69_gn_ai_fij:B-La-Ru,17.0,"Invalid WP multiplicities - A6B3C8_oF68_69_gn_ai_fi2j:B-La-Ru, expected La(BRu2)2 to be La3(B3Ru4)2" +mp-541849,Al3(BRu2)2,-7.4495343883,-0.5947431448,0.0,-0.0412530591,GGA,P4/mmm,A3B2C4_tP18_123_acl_j_ko:Al-B-Ru,18.0,A3B2C4_tP18_123_acl_j_ko:Al-B-Ru +mp-1105454,Sr2GdMoO6,-8.854693964,-3.0566048116,0.0,-0.0175802328,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Gd-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Gd-Mo-O-Sr +mp-1213995,Ce2Si2HRu,-5.312703205,0.5846206208,1.3063882662,1.3063882662,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ce-H-Ru-Si,6.0,A2BCD2_tP6_123_g_a_b_g:Ce-H-Ru-Si +mp-604496,CeSiHRu,-6.778625855,-0.7722419125000001,0.0,-0.0018082999999999,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ce-H-Ru-Si,8.0,ABCD_tP8_129_c_a_b_c:Ce-H-Ru-Si +mp-1188093,ZrTl2PbS4,-5.3210248231,-1.1295956405,0.0,-0.0088130181,GGA,C2/c,AB4C2D_mC32_15_e_2f_f_e:Pb-S-Tl-Zr,16.0,AB4C2D_mC32_15_e_2f_f_e:Pb-S-Tl-Zr +mp-20244,ZrPbS3,-6.354341739,-1.4204022789,0.002771761,0.002771761,GGA,Pnma,AB3C_oP20_62_c_3c_c:Pb-S-Zr,20.0,AB3C_oP20_62_c_3c_c:Pb-S-Zr +mp-1102830,ZrTl2S3,-5.513258175,-1.2328687543,0.0,-0.014530533,GGA,P2_1/m,A3B2C_mP12_11_3e_2e_e:S-Tl-Zr,12.0,A3B2C_mP12_11_3e_2e_e:S-Tl-Zr +mp-1198156,Zr(TlS)4,-4.8463677327,-1.0081374344,0.0,-0.015785498,GGA,P-1,A4B4C_aP45_2_10i_10i_a2i:S-Tl-Zr,45.0,A4B4C_aP45_2_10i_10i_a2i:S-Tl-Zr +mp-1232525,LaCrAsO,-7.9158087356,-1.8670933128,0.0672965107,0.0672965107,GGA+U,P2_1/m,ABCD_mP8_11_e_e_e_e:As-Cr-La-O,16.0,ABCD_mP8_11_e_e_e_e:As-Cr-La-O +mp-1079055,LaCrAsO,-7.9223851569,-1.8736697341,0.0607200895,0.0607200895,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Cr-La-O,16.0,ABCD_tP8_129_c_a_c_b:As-Cr-La-O +mp-1104685,Tb4(FeB2)3,-6.8488208238,-0.3854455427,0.0626815838,0.0626815838,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Fe-Tb,13.0,A6B3C4_hR39_166_f_bc_2c:B-Fe-Tb +mp-1217525,TbNdFe17,-8.0370711684,0.0362379949,0.0476899829,0.0476899829,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Fe-Nd-Tb,19.0,A17BC_hR57_160_2a3bc_a_a:Fe-Nd-Tb +mp-1217543,TbNd3Fe34,-8.0445652953,0.0322644294,0.0379904234,0.0379904234,GGA,Cm,A34B3C_mC76_8_10a12b_3a_a:Fe-Nd-Tb,38.0,"Invalid WP multiplicities - A34B3C_mC76_8_10a23b_3a_a:Fe-Nd-Tb, expected TbNd3Fe56 to be TbNd3Fe34" +mp-972235,Tb3FeB7,-6.8527414591,-0.5682994677000001,0.0,-0.0250982541,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Fe-Tb,22.0,A7BC3_oC44_63_c3f_c_cf:B-Fe-Tb +mp-1217484,TbNdFe4,-7.1983567633,0.0154096321,0.051674261,0.051674261,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Nd-Tb,6.0,A4BC_cF24_216_e_a_c:Fe-Nd-Tb +mp-12075,Tb(FeB)2,-7.418639304,-0.4320008917,0.0,-0.0489544716,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Fe-Tb,5.0,A2B2C_tI10_139_e_d_a:B-Fe-Tb +mp-1217651,TbNdFe14B,-7.9967654599,-0.0754594455,0.0049023471,0.0049023471,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Tb,68.0,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Tb +mp-1208346,TbFeB4,-7.2375775358,-0.6005851369,0.0,-0.0717561224,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Tb +mp-1217666,Tb3NdFe34,-8.0605583174,0.0092302845,0.0264082666,0.0264082666,GGA,Cm,A34BC3_mC76_8_10a12b_a_3a:Fe-Nd-Tb,38.0,"Invalid WP multiplicities - A34BC3_mC76_8_10a23b_a_3a:Fe-Nd-Tb, expected Tb3NdFe56 to be Tb3NdFe34" +mp-5759,Tb2Fe14B,-8.0171644553,-0.1037279311,0.0,-0.0209994671,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Tb,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Tb +mp-1225147,Fe4Ni4PdS8,-6.2670129235,-0.6627710232,0.079964624,0.079964624,GGA,F-43m,A4B4CD8_cF68_216_e_e_c_abg:Fe-Ni-Pd-S,17.0,A4B4CD8_cF68_216_e_e_c_abg:Fe-Ni-Pd-S +mp-15643,SrMgGe,-3.1728882917,-0.5352878389,0.0,-0.0907937393,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mg-Sr,12.0,ABC_oP12_62_c_c_c:Ge-Mg-Sr +mp-972387,Sr2MgGe2O7,-6.8856066467,-2.8145946762,0.0,-0.0185332606,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ge-Mg-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_2ce2f_e:Ge-Mg-O-Sr, expected Sr2Mg(GeO6)2 to be Sr2MgGe2O7" +mp-1197892,Sr5Mg19Ge12,-3.0134918222,-0.3932384201,0.0,-0.0133371785,GGA,P-62m,A12B19C5_hP36_189_2fk_afgjk_cg:Ge-Mg-Sr,36.0,A12B19C5_hP36_189_2fk_afgjk_cg:Ge-Mg-Sr +mp-1113538,Cs2CeAgF6,-5.355045033,-3.1525126623,0.0996451022,0.0996451022,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Ce-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Ce-Cs-F +mp-1202824,CsCeF5,-6.1746137055,-3.8337727963,0.0,-0.1213720732,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Ce-Cs-F,56.0,ABC5_mP56_14_2e_2e_10e:Ce-Cs-F +mp-632715,Cs3CeF6,-5.475779722,-3.4669627144,0.0,-0.0381076327,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Ce-Cs-F,10.0,AB3C6_cF40_225_a_bc_e:Ce-Cs-F +mp-1213758,Cs3BiF6,-4.645983694,-2.8464266889000003,0.044244735,-0.024455028,GGA,C2/m,AB3C6_mC20_12_a_ce_ij:Bi-Cs-F,10.0,"Invalid WP multiplicities - AB3C6_mC20_12_c_b2e_ij:Bi-Cs-F, expected Cs5BiF6 to be Cs3BiF6" +mp-1112606,Cs3BiF6,-4.690228429,-2.8906714239,0.0,-0.068699763,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Bi-Cs-F,10.0,AB3C6_cF40_225_a_bc_e:Bi-Cs-F +mp-27422,CsBiF6,-4.5807544137,-2.5551587504,0.0,-0.2413117575,GGA,R-3,ABC6_hR24_148_a_b_f:Bi-Cs-F,8.0,ABC6_hR24_148_a_b_f:Bi-Cs-F +mp-1114309,Cs2AgBiF6,-4.569390708,-2.5761183398,0.0,-0.030055372,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Bi-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Bi-Cs-F +mp-1216964,TiVFe,-8.4021406117,0.0809991539,0.3615525883,0.3615525883,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-Ti-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-Ti-V, expected Ti2V3Fe2 to be TiVFe" +mp-1093976,TiVFe2,-5.001716635,3.4781434917,3.7634194709,3.7634194709,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-Ti-V,4.0,A2BC_oI8_71_e_a_b:Fe-Ti-V +mp-1219022,SmTiFe11,-8.1874961046,-0.0502413768,0.0151552165,0.0151552165,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Sm-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Sm-Ti +mp-1219364,Sm4TiFe33,-8.0633174984,-0.0033033804,0.0190691384,0.0190691384,GGA,Cm,A33B4C_mC76_8_9a12b_4a_a:Fe-Sm-Ti,38.0,"Invalid WP multiplicities - A33B4C_mC76_8_9a24b_4a_a:Fe-Sm-Ti, expected Sm4TiFe57 to be Sm4TiFe33" +mp-1219051,SmTiVFe10,-8.25189789,-0.0674212499,0.0374543365,0.0374543365,GGA,Imm2,A10BCD_oI26_44_2b2ce_a_a_a:Fe-Sm-Ti-V,13.0,A10BCD_oI26_44_2b2ce_a_a_a:Fe-Sm-Ti-V +mp-1219210,Sm(VFe5)2,-8.3228758677,-0.0469827619,0.0319752242,0.0319752242,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Sm-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Sm-V +mp-1219218,Sm2VFe16,-8.1160723826,-0.0086293458,0.0183825968,0.0183825968,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Fe-Sm-V,19.0,A16B2C_hR57_160_a3bc_2a_a:Fe-Sm-V +mp-756670,Eu2Pb2O7,-7.8536192841,-2.1657903097,0.0,-0.008624516,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Eu-O-Pb, expected EuPbO10 to be Eu2Pb2O7" +mp-1184348,EuPbO3,-7.768094994,-2.0061519933,0.290577132,0.290577132,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Pb,5.0,AB3C_cP5_221_a_c_b:Eu-O-Pb +mp-1196233,EuAl3(PbO4)2,-7.7443494348,-2.8520256405,0.0,-0.0024000746,GGA,Pn-3m,A3BC8D2_cP56_224_f_b_ek_e:Al-Eu-O-Pb,56.0,A3BC8D2_cP56_224_f_b_ek_e:Al-Eu-O-Pb +mp-683904,Yb2Te5O13,-6.0718148347,-1.9166798711,0.0353235708,0.0090080303,GGA,P-1,A13B5C2_aP40_2_13i_5i_2i:O-Te-Yb,,"Invalid WP multiplicities - A13B5C2_aP40_2_25i_9i_3i:O-Te-Yb, expected Yb3Te9O25 to be Yb2Te5O13" +mp-1178715,Yb2Te5O13,-6.1071384055,-1.9520034419,0.0,-0.0263155404,GGA,P-1,A13B5C2_aP40_2_13i_5i_2i:O-Te-Yb,,"Invalid WP multiplicities - A13B5C2_aP40_2_25i_9i_3i:O-Te-Yb, expected Yb3Te9O25 to be Yb2Te5O13" +mp-1188075,Yb2TeO6,-6.0283967104,-2.0392128525,0.1710024848,0.1710024848,GGA,C2,A6BC2_mC54_5_9c_ac_ab2c:O-Te-Yb,,"Invalid WP multiplicities - A6BC2_mC54_5_18c_ac_ab2c:O-Te-Yb, expected Yb2TeO12 to be Yb2TeO6" +mp-683907,Yb2Te4O11,-6.1231247912,-2.0015944408,0.0132900379,0.0132900379,GGA,C2/c,A11B4C2_mC68_15_e5f_2f_f:O-Te-Yb,,"Invalid WP multiplicities - A11B4C2_mC68_15_2e19f_5f_f:O-Te-Yb, expected Yb(TeO4)5 to be Yb2Te4O11" +mp-1211223,Li3Yb3(TeO6)2,-6.1110553216,-2.3114318335,0.0,-0.0640208141,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Yb,,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Yb +mp-769277,Yb2TeO2,-5.695221514,-2.4720415388,0.4322377767,0.4322377767,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Te-Yb,,A2BC2_tI10_139_d_a_e:O-Te-Yb +mp-755666,Yb2TeO2,-5.808600684,-2.5854207088,0.3188586067,0.3188586067,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Te-Yb,,A2BC2_hP5_164_d_a_d:O-Te-Yb +mp-1260352,Al5(NiO4)3,-7.155451361,-2.3840236747,0.1924072768,0.1924072768,GGA+U,P1,A5B3C12_aP40_1_10a_6a_24a:Al-Ni-O,40.0,A5B3C12_aP40_1_10a_6a_24a:Al-Ni-O +mp-1380716,Al5(NiO4)3,-7.1905913427,-2.4191636565,0.157267295,0.157267295,GGA+U,C2/m,A5B3C12_mC80_12_5i_ej_6i3j:Al-Ni-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_12_8i_2e2j_12i12j:Al-Ni-O, expected Al4(NiO6)3 to be Al5(NiO4)3" +mp-754284,LiAlNiO3,-6.7599219892,-2.3808050708,0.0811148304,0.0811148304,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:Al-Li-Ni-O,24.0,ABCD3_aP12_2_i_i_i_3i:Al-Li-Ni-O +mp-770517,Li9Al(NiO4)2,-5.6191375378,-2.0161543038,0.0945525379,0.0945525379,GGA+U,Pnma,AB9C2D8_oP80_62_c_3c3d_2c_4c2d:Al-Li-Ni-O,80.0,"Invalid WP multiplicities - AB9C2D8_oP80_62_c_12c9d_5c_16c5d:Al-Li-Ni-O, expected Li30AlNi5O26 to be Li9Al(NiO4)2" +mp-862318,LiAl2Ni,-4.265462625,-0.4704098233,0.0,-0.0260516912,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Ni,4.0,A2BC_cF16_225_c_a_b:Al-Li-Ni +mp-1248873,Al2Ni2O7,-6.6070138959,-1.7271733506,0.3244806069,0.3244806069,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Ni-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Ni-O +mp-867812,LiAlNi2,-4.70323747,-0.3995444558,0.0,-0.0080748052,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Ni,4.0,ABC2_cF16_225_a_b_c:Al-Li-Ni +mp-756603,Li2AlNiO4,-6.3553618844,-2.2140727483,0.0770005389,0.0770005389,GGA+U,Pc,AB2CD4_mP16_7_a_2a_a_4a:Al-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_mP16_7_a_4a_a_8a:Al-Li-Ni-O, expected Li4AlNiO8 to be Li2AlNiO4" +mp-770400,Li2AlNiO4,-6.3418108256,-2.2005216896,0.0905515976,0.0905515976,GGA+U,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:Al-Li-Ni-O,32.0,"Invalid WP multiplicities - AB2CD4_mP32_14_e_5e_e_13e:Al-Li-Ni-O, expected Li5AlNiO13 to be Li2AlNiO4" +mp-755427,Li2AlNiO4,-6.3470481334,-2.2057589974,0.0853142898,0.0853142898,GGA+U,C222_1,AB2CD4_oC32_20_a_ab_b_2c:Al-Li-Ni-O,32.0,AB2CD4_oC32_20_a_ab_b_2c:Al-Li-Ni-O +mp-755669,Li2AlNiO4,-6.3414664888,-2.2001773527,0.0908959345,0.0908959345,GGA+U,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Al-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oP16_31_a_b_a_4a2b:Al-Li-Ni-O, expected Li2AlNiO8 to be Li2AlNiO4" +mp-770357,Li2AlNiO4,-6.3485020859,-2.2072129499,0.0838603373,0.0838603373,GGA+U,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:Al-Li-Ni-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_33_a_5a_a_13a:Al-Li-Ni-O, expected Li5AlNiO13 to be Li2AlNiO4" +mp-770491,Li3AlNiO4,-6.1416343597,-2.2483859203,0.0947297062,0.0947297062,GGA+U,I4_1/a,AB3CD4_tI144_88_f_3f_f_4f:Al-Li-Ni-O,72.0,"Invalid WP multiplicities - AB3CD4_tI144_88_f_14f_f_21f:Al-Li-Ni-O, expected Li14AlNiO21 to be Li3AlNiO4" +mp-1222577,LiAlNi3O5,-6.6973981795,-1.9245629502,0.0400775693,0.0400775693,GGA+U,C2/m,ABC3D5_mC40_12_g_h_adgh_i2j:Al-Li-Ni-O,20.0,"Invalid WP multiplicities - ABC3D5_mC40_12_g_h_ac2gh_2i6j:Al-Li-Ni-O, expected LiAl(Ni2O7)2 to be LiAlNi3O5" +mp-532510,Al2NiO4,-7.3601388976,-2.6375612997,0.1659072189,0.158726531,GGA+U,P1,A2BC4_aP98_1_28a_14a_56a:Al-Ni-O,98.0,A2BC4_aP98_1_28a_14a_56a:Al-Ni-O +mp-531917,Al2NiO4,-7.5214522245,-2.7988746266,0.004593892,-0.0025867959,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Al-Ni-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a15b:Al-Ni-O, expected Al11Ni4O23 to be Al2NiO4" +mp-34234,Al2NiO4,-7.5203218264,-2.7977442286,0.00572429,-0.0014563979,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Al-Ni-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a5b_6a_12a12b:Al-Ni-O, expected Al8(NiO6)3 to be Al2NiO4" +mp-530184,Al2NiO4,-7.5135696507,-2.7909920529,0.0124764657,0.0052957779,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Al-Ni-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a4b_8a_16a16b:Al-Ni-O, expected Al2NiO6 to be Al2NiO4" +mp-530137,Al2NiO4,-7.51716217,-2.7945845721,0.0088839464,0.0017032586,GGA+U,Cm,A2BC4_mC168_8_12a6b_12a_24a12b:Al-Ni-O,84.0,"Invalid WP multiplicities - A2BC4_mC168_8_12a12b_12a_24a24b:Al-Ni-O, expected Al3NiO6 to be Al2NiO4" +mp-530459,Al2NiO4,-7.5157794176,-2.7932018197,0.0102666989,0.003086011,GGA+U,Cm,A2BC4_mC140_8_10a5b_10a_20a10b:Al-Ni-O,70.0,"Invalid WP multiplicities - A2BC4_mC140_8_10a8b_10a_20a19b:Al-Ni-O, expected Al13Ni5O29 to be Al2NiO4" +mp-532317,Al2NiO4,-7.5221946696,-2.7996170717,0.0038514469,-0.003329241,GGA+U,Cm,A2BC4_mC140_8_10a5b_10a_20a10b:Al-Ni-O,70.0,"Invalid WP multiplicities - A2BC4_mC140_8_10a9b_10a_20a18b:Al-Ni-O, expected Al14Ni5O28 to be Al2NiO4" +mp-1280463,Al2NiO4,-7.5021811457,-2.7796035479,0.0238649707,0.0166842829,GGA+U,Cc,A2BC4_mC28_9_2a_a_4a:Al-Ni-O,14.0,A2BC4_aP14_1_4a_2a_8a:Al-Ni-O +mp-37614,Al2NiO4,-7.5260461164,-2.8034685186,0.0,-0.0071806879,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Al-Ni-O,28.0,A2BC4_oI28_74_ae_c_hi:Al-Ni-O +mp-1048803,Al2NiO4,-7.5038466407,-2.7812690429,0.0221994757,0.0150187879,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Al-Ni-O,28.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_e_2h2i:Al-Ni-O, expected Al4NiO8 to be Al2NiO4" +mp-1285355,Al2NiO4,-7.5029824371,-2.7804048393,0.0230636793,0.0158829914,GGA+U,I4_1md,A2BC4_tI28_109_b_a_2b:Al-Ni-O,14.0,A2BC4_tI28_141_c_b_h:Al-Ni-O +mp-1295388,Al2NiO4,-7.5036449539,-2.7810673561,0.0224011625,0.0152204746,GGA+U,R-3m,A2BC4_hR42_166_ad_c_ch:Al-Ni-O,28.0,"Invalid WP multiplicities - A2BC4_hR42_166_ad_c_c2h:Al-Ni-O, expected Al2NiO7 to be Al2NiO4" +mp-688785,Al2NiO4,-7.5024103479,-2.77983275,0.0236357686,0.0164550807,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Ni-O,28.0,A2BC4_cF56_227_c_b_e:Al-Ni-O +mp-1376903,AlNiO3,-6.8869956705,-2.0138399417,0.2429794115,0.2429794115,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Al-Ni-O +mp-1333178,AlNiO3,-6.7200914793,-1.8469357506,0.4098836026,0.4098836026,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Ni-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Ni-O +mp-1400395,AlNiO3,-6.709563836,-1.8364081073,0.420411246,0.420411246,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Ni-O,10.0,ABC3_hP10_194_a_c_bf:Al-Ni-O +mp-1416557,AlNiO3,-5.768405216,-0.8952494873,1.361569866,1.361569866,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Al-Ni-O,5.0,ABC3_cP5_221_a_b_c:Al-Ni-O +mp-1183176,AlNiO3,-6.260375212,-1.3872194833,0.86959987,0.86959987,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Al-Ni-O,5.0,ABC3_cP5_221_b_a_c:Al-Ni-O +mp-1222534,Li4AlNi3O8,-6.1459304463,-1.8774812571,0.0173691095,0.0173691095,GGA+U,R-3m,AB4C3D8_hR48_166_a_2c_bc_4c:Al-Li-Ni-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_4c_b2c_8c:Al-Li-Ni-O, expected Li8AlNi5O16 to be Li4AlNi3O8" +mp-1248275,Al4(NiO4)3,-6.8635014534,-2.0380815642,0.2088802171,0.2088802171,GGA+U,P-1,A4B3C12_aP38_2_4i_ae2i_12i:Al-Ni-O,38.0,"Invalid WP multiplicities - A4B3C12_aP38_2_6i_ae4i_23i:Al-Ni-O, expected Al6Ni5O23 to be Al4(NiO4)3" +mp-1362289,Al4(NiO4)3,-6.8577657739,-2.0323458847,0.2146158966,0.2146158966,GGA+U,C2/m,A4B3C12_mC76_12_4i_ej_6i3j:Al-Ni-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_12_6i_2e3j_12i11j:Al-Ni-O, expected Al3Ni4O17 to be Al4(NiO4)3" +mp-1045119,Al(NiO2)3,-6.6157730752,-1.5391612615,0.0780710591,0.0780710591,GGA+U,P-3m1,AB3C6_hP40_164_cd_adfi_c2d3i:Al-Ni-O,40.0,"Invalid WP multiplicities - AB3C6_hP40_164_2c2d_ad3f5i_2c4d18i:Al-Ni-O, expected Al4(Ni7O20)3 to be Al(NiO2)3" +mp-1222873,Li2Al(NiO2)3,-6.4670328342,-1.9183691783,0.0152534955,0.0152534955,GGA+U,C2,AB2C3D6_mC48_5_c_2a2b_ab2c_6c:Al-Li-Ni-O,24.0,"Invalid WP multiplicities - AB2C3D6_mC48_5_c_2a2b_ab2c_12c:Al-Li-Ni-O, expected Li2Al(NiO4)3 to be Li2Al(NiO2)3" +mp-1302787,Li2Al(NiO2)3,-6.4672874988,-1.9186238428,0.0149988309,0.0149988309,GGA+U,C2,AB2C3D6_mC48_5_ab_2c_2a2bc_6c:Al-Li-Ni-O,24.0,"Invalid WP multiplicities - AB2C3D6_mC48_5_ab_2c_2a2bc_9c:Al-Li-Ni-O, expected Li2Al(NiO3)3 to be Li2Al(NiO2)3" +mp-1045504,Al(NiO2)2,-6.8735533093,-1.8603241614,0.0999824176,0.0999824176,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Al-Ni-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h3i:Al-Ni-O, expected Al(NiO6)2 to be Al(NiO2)2" +mp-1406186,Al(NiO2)2,-6.53065507,-1.5174259221000002,0.4428806569,0.4428806569,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Al-Ni-O,14.0,AB2C4_tI28_88_a_d_f:Al-Ni-O +mp-768600,Al(NiO2)2,-6.9256263350000005,-1.9123971871,0.0479093919,0.0479093919,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Al-Ni-O +mp-1217916,TaTiGaO6,-8.8894784767,-3.0604231504,0.0350814567,0.0350814567,GGA,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Ga-O-Ta-Ti,18.0,"Invalid WP multiplicities - AB6CD_tP18_102_a_12c_a_a:Ga-O-Ta-Ti, expected TaTiGaO24 to be TaTiGaO6" +mp-10280,Nd3GaC,-4.100074448,1.2121663145,1.5067864144,1.5067864144,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Ga-Nd,5.0,ABC3_cP5_221_a_b_c:C-Ga-Nd +mp-1220755,Nd2Ga3(Fe7C)2,-7.5158782152,-0.1035824601,0.0548008391,0.0548008391,GGA,C2/m,A2B14C3D2_mC42_12_e_h2i2j_af_i:C-Fe-Ga-Nd,21.0,"Invalid WP multiplicities - A2B14C3D2_mC42_12_f_2h3i3j_ae_i:C-Fe-Ga-Nd, expected Nd2Ga3(Fe11C)2 to be Nd2Ga3(Fe7C)2" +mp-1235550,Ba4Li(GeO3)4,-6.7112611986,-2.5475850756,0.1037801028,0.1037801028,GGA,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Li-O +mp-1236368,Ba4Li(GeO3)4,-6.7038217095,-2.5401455866,0.1112195918,0.1112195918,GGA,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Li-O +mp-21275,Ni(SbO2)2,-6.4559796775,-1.6238519625,0.0,-0.01568173,GGA+U,P4_2/mbc,AB4C2_tP28_135_d_gh_h:Ni-O-Sb,28.0,AB4C2_tP28_135_d_gh_h:Ni-O-Sb +mp-1190650,Ni2Sb2O7,-6.3276380241,-1.3780837678,0.3136135568,0.3136135568,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Ni-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Ni-O-Sb +mp-1216023,Zn3Ni4(SbO6)2,-6.1600798012,-1.6592205362,0.0,-0.0290887307,GGA+U,C2/c,A4B12C2D3_mC84_15_acf_6f_f_ef:Ni-O-Sb-Zn,42.0,"Invalid WP multiplicities - A4B12C2D3_mC84_15_2a2c2f_24f_f_2e2f:Ni-O-Sb-Zn, expected Zn3Ni4SbO24 to be Zn3Ni4(SbO6)2" +mp-1339909,Zn2NiSbO6,-5.7355891835,-1.5247134427,0.1325152453,0.1325152453,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Ni-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Ni-O-Sb-Zn, expected Zn2NiSbO16 to be Zn2NiSbO6" +mp-1201267,Ni(SbO9)2,-4.6722225464000005,0.2362791661,1.0063376269,1.0063376269,GGA+U,P3,AB18C2_hP126_143_2d_36d_2a2b2c2d:Ni-O-Sb,126.0,AB18C2_hP126_143_2d_36d_2a2b2c2d:Ni-O-Sb +mp-11621,ZnNiSb,-4.0184989333,-0.2955384233,0.0,-0.0166242439,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Zn,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Zn +mp-505271,Ni(SbO3)2,-6.6543887894,-1.7968030753000002,0.0,-0.1948529044,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ni-O-Sb,36.0,AB6C2_tP18_136_a_fj_e:Ni-O-Sb +mp-11620,ZnNi3Sb2,-4.588072365,-0.11171301,0.2177419583,0.2177419583,GGA,P-3m1,A3B2C_hP6_164_ad_d_b:Ni-Sb-Zn,6.0,A3B2C_hP6_164_ad_d_b:Ni-Sb-Zn +mp-1186113,NiSbO3,-5.907621586,-0.9577807752,0.6628730849000001,0.6628730849000001,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Sb,5.0,AB3C_cP5_221_b_c_a:Ni-O-Sb +mp-1111138,K2LiCeBr6,-4.043891286,-2.1057932964,0.0581682278,0.0581682278,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Li +mp-1106265,Ba2YGaSe5,-5.3353226411,-1.9117588184,0.0019664204,0.0019664204,GGA,P-1,A2BC5D_aP18_2_2i_i_5i_i:Ba-Ga-Se-Y,18.0,A2BC5D_aP18_2_2i_i_5i_i:Ba-Ga-Se-Y +mp-1112789,Cs2KBiBr6,-3.382025999,-1.7760397189,0.014955006,0.014955006,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-Cs-K +mp-863759,CsK2Bi,-2.09668427,-0.357511921,0.0,-0.0071312944,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Cs-K,4.0,ABC2_cF16_225_a_b_c:Bi-Cs-K +mp-1111329,Na2GaAgF6,-4.52552377,-2.5280661282,0.1252929537,0.1252929537,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-Na +mp-1114305,Cs2AgAsF6,-4.514695167,-2.4395598713,0.0546178018,0.0546178018,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-As-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-As-Cs-F +mp-1217232,U6Cu3Ni3Sb8,-6.91605109,-0.3951260885,0.0,-0.0021440335,GGA,C2,A3B3C8D6_mC40_5_ac_bc_4c_ab2c:Cu-Ni-Sb-U,20.0,"Invalid WP multiplicities - A3B3C8D6_mC40_5_ac_bc_7c_ab2c:Cu-Ni-Sb-U, expected U6Cu3Ni3Sb14 to be U6Cu3Ni3Sb8" +mp-30070,U3Cu2Sb3,-7.0049103688,-0.1974544825,0.0521438084,0.0521438084,GGA,P6_3/mmc,A2B3C3_hP16_194_e_af_cf:Cu-Sb-U,16.0,"Invalid WP multiplicities - A2B3C3_hP16_194_e_2a2f_c2f:Cu-Sb-U, expected U5(CuSb3)2 to be U3Cu2Sb3" +mp-1188951,U3Cu3Sb4,-6.499158451,-0.230372951,0.035865226,0.035865226,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Cu-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Cu-Sb-U +mp-1217043,U2(CuNi)5,-6.0526795192,-0.0543847883,0.1006590562,0.1006590562,GGA,Cm,A5B5C2_mC24_8_a2b_5a_2a:Cu-Ni-U,12.0,"Invalid WP multiplicities - A5B5C2_mC24_8_a4b_5a_2a:Cu-Ni-U, expected U2Cu9Ni5 to be U2(CuNi)5" +mp-1080551,UNiSb2,-6.76931042,-0.4369231275,0.0315810685,0.0315810685,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ni-Sb-U,8.0,AB2C_tP8_129_a_bc_c:Ni-Sb-U +mp-1216654,U2NiSb4,-6.8679780257,-0.4566977886,0.0,-0.0291947665,GGA,P-4m2,AB4C2_tP7_115_c_abg_g:Ni-Sb-U,7.0,AB4C2_tP7_115_c_abg_g:Ni-Sb-U +mp-1079070,UCuSb2,-6.1528554425,-0.2407006525,0.0486359063,0.0486359063,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-U,8.0,AB2C_tP8_129_a_bc_c:Cu-Sb-U +mp-504640,U3Ni3Sb4,-7.292790436,-0.519725933,0.0,-0.1178841221,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Ni-Sb-U,20.0,A3B4C3_cI40_220_a_c_b:Ni-Sb-U +mp-1205568,Sr2LiOsO6,-7.063424565,-2.4438836179,0.0,-0.0596473622,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Li-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Li-O-Os-Sr +mp-1069055,Cu(BrN)2,-3.26306281,1.512587826,1.94950026,1.94950026,GGA,C2/m,A2BC2_mC10_12_i_a_g:Br-Cu-N,5.0,A2BC2_mC10_12_i_a_g:Br-Cu-N +mp-1103484,Cu3(BrN)4,-3.5398907691,1.1742649609,1.5763420036,1.5763420036,GGA,I4/mmm,A4B3C4_tI22_139_i_bd_h:Br-Cu-N,11.0,A4B3C4_tI22_139_i_bd_h:Br-Cu-N +mp-1213440,CuBr3N2,-3.0514494754,1.1870974429,1.5511911379,1.5511911379,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Br-Cu-N,24.0,A3BC2_oP24_62_3c_c_2c:Br-Cu-N +mp-1181522,Cu(BrN3)2,-4.3977797922,1.9604683056,2.2031974356,2.2031974356,GGA,I4/mmm,A2BC6_tI18_139_d_a_eh:Br-Cu-N,9.0,A2BC6_tI18_139_d_a_eh:Br-Cu-N +mp-1181539,Cu(BrN3)2,-4.5934329544,1.7648151433,2.0075442733,2.0075442733,GGA,I4/mmm,A2BC6_tI18_139_d_a_eh:Br-Cu-N,9.0,A2BC6_tI18_139_d_a_eh:Br-Cu-N +mp-1079457,Cu(BrN3)2,-4.1204519178,2.23779618,2.48052531,2.48052531,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Br-Cu-N,9.0,A2BC6_cF36_225_c_a_e:Br-Cu-N +mp-1203055,Ho2Cu4Br13N3,-3.706360773,-0.4899745236,0.6964243786000001,0.6964243786000001,GGA,Pn-3,A13B4C2D3_cP44_201_ah_e_b_d:Br-Cu-Ho-N,44.0,A13B4C2D3_cP44_201_ah_e_b_d:Br-Cu-Ho-N +mp-1226311,Cs2MnNiF6,-5.622299095,-2.8021160429,0.0,-0.0017900453,GGA+U,R3m,A2B6CD_hR60_160_4a_4b_2a_2a:Cs-F-Mn-Ni,20.0,A2B6CD_hR60_160_4a_4b_2a_2a:Cs-F-Mn-Ni +mp-1190796,La3LuBeS7,-6.5271468208,-2.1918523402,0.0830885867,0.0830885867,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Be-La-Lu-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Be-La-Lu-S +mp-1106254,La(LuS2)3,-6.7415507165,-2.4097949299,0.0,-0.0141747035,GGA,P2_1/m,AB3C6_mP20_11_e_3e_6e:La-Lu-S,20.0,AB3C6_mP20_11_e_3e_6e:La-Lu-S +mp-1106374,LaLuS3,-6.815472282,-2.4422108369,0.0,-0.0042259177,GGA,Pnma,ABC3_oP20_62_c_a_cd:La-Lu-S,20.0,ABC3_oP20_62_c_a_cd:La-Lu-S +mp-28364,Rb2CdO2,-3.9170275495,-1.361560484,0.0,-0.0341803131,GGA,Pbcn,AB2C2_oP20_60_c_d_d:Cd-O-Rb,20.0,AB2C2_oP20_60_c_d_d:Cd-O-Rb +mp-1219559,RbNaCd3O4,-4.1833757678,-1.4213220466,0.0,-0.0227816622,GGA,Cm,A3BC4D_mC18_8_3a_a_4a_a:Cd-Na-O-Rb,9.0,A3BC4D_mC18_8_3a_a_4a_a:Cd-Na-O-Rb +mp-1209499,Rb2Cd2O3,-4.0449201986,-1.3810753702,0.0,-0.0184328218,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Cd-O-Rb,14.0,A2B3C2_mP14_14_e_ae_e:Cd-O-Rb +mp-975380,RbCdO3,-4.075698602,-0.7270006088000001,0.40300357,0.40300357,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-O-Rb,5.0,AB3C_cP5_221_b_c_a:Cd-O-Rb +mp-1209286,Rb6CdO4,-3.6765725573,-1.2590408264,0.0,-0.0218265311,GGA,P6_3mc,AB4C6_hP22_186_b_bc_2c:Cd-O-Rb,22.0,AB4C6_hP22_186_b_bc_2c:Cd-O-Rb +mp-1222999,LaZrTa3O11,-10.0534623466,-3.5865488185,0.0,-0.0054137444,GGA,C2,AB11C3D_mC64_5_ab_11c_ab2c_c:La-O-Ta-Zr,32.0,"Invalid WP multiplicities - AB11C3D_mC64_5_ab_20c_ab4c_c:La-O-Ta-Zr, expected LaZrTa5O20 to be LaZrTa3O11" +mp-555052,MnSb2F12,-5.416512174,-2.7259944819,0.0,-0.0710581493,GGA+U,P-1,A12BC2_aP15_2_6i_a_i:F-Mn-Sb,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:F-Mn-Sb, expected MnSb2F14 to be MnSb2F12" +mp-796008,MnSb2F12,-1.8180095493,0.8725081428,3.5985026247,3.5274444754000003,GGA+U,P-1,A12BC2_aP15_2_6i_a_i:F-Mn-Sb,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:F-Mn-Sb, expected MnSb2F14 to be MnSb2F12" +mp-1381279,MnSb2F12,-4.268270546,-1.5777528539,1.148241628,1.0771834787,GGA+U,P-1,A12BC2_aP15_2_6i_a_i:F-Mn-Sb,15.0,"Invalid WP multiplicities - A12BC2_aP15_2_7i_a_i:F-Mn-Sb, expected MnSb2F14 to be MnSb2F12" +mp-567788,Sr14MnSb11,-4.0821320668,-1.0731344792,0.0,-0.0450274125,GGA,I4_1/acd,AB11C14_tI208_142_a_bf2g_e3g:Mn-Sb-Sr,104.0,"Invalid WP multiplicities - AB11C14_tI208_142_a_4b7f28g_7e36g:Mn-Sb-Sr, expected Sr158MnSb130 to be Sr14MnSb11" +mp-1208681,SrMnSb2,-5.3077063912,-0.5303285849,0.0730747282,0.0730747282,GGA,Pnma,AB2C_oP16_62_c_2c_c:Mn-Sb-Sr,16.0,AB2C_oP16_62_c_2c_c:Mn-Sb-Sr +mp-1079721,SrMnSb2,-5.3066701637,-0.5292923574,0.0741109557,0.0741109557,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Mn-Sb-Sr,8.0,AB2C_tP8_129_a_bc_c:Mn-Sb-Sr +mp-2968,Sr(MnSb)2,-5.93155306,-0.2772477565,0.205474894,0.205474894,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-Sb-Sr,5.0,A2B2C_hP5_164_d_d_a:Mn-Sb-Sr +mp-1080128,SrMnSbF,-6.0651130137,-1.8421157755,0.0467953,0.0467953,GGA+U,P4/nmm,ABCD_tP8_129_a_b_c_c:F-Mn-Sb-Sr,8.0,ABCD_tP8_129_a_b_c_c:F-Mn-Sb-Sr +mp-581855,Sr21(Mn2Sb9)2,-4.3768374279,-0.9710363579,0.016644192,0.016644192,GGA,C2/m,A4B18C21_mC172_12_2ij_gh8i4j_3i9j:Mn-Sb-Sr,86.0,"Invalid WP multiplicities - A4B18C21_mC172_12_3i2j_2g2h16i15j_6i32j:Mn-Sb-Sr, expected Sr70Mn7Sb50 to be Sr21(Mn2Sb9)2" +mp-1208713,Sr3MnF12,-5.2965205562,-2.9735053524,0.1568187111,0.1568187111,GGA+U,C2/m,A12BC3_mC32_12_3j_a_de:F-Mn-Sr,16.0,"Invalid WP multiplicities - A12BC3_mC32_12_10j_c_ae:F-Mn-Sr, expected Sr3MnF40 to be Sr3MnF12" +mp-1233935,CaIn4(Ge2O7)2,-6.2652499148,-1.8844634723,0.2813953271,0.2813953271,GGA,R3m,AB4C4D14_hR69_160_a_ab_ab_2a4b:Ca-Ge-In-O,23.0,"Invalid WP multiplicities - AB4C4D14_hR69_160_a_ab_ab_2a12b:Ca-Ge-In-O, expected CaIn4(Ge2O19)2 to be CaIn4(Ge2O7)2" +mp-1234279,CaIn4(Ge2O7)2,-6.150799867,-1.7700134245,0.3958453749,0.3958453749,GGA,F-43m,AB4C4D14_cF92_216_a_e_e_bcfg:Ca-Ge-In-O,23.0,AB4C4D14_cF92_216_a_e_e_bcfg:Ca-Ge-In-O +mp-1214247,Ca3In2(GeO4)3,-6.8317422179000005,-2.5942664579,0.0,-0.0317507744,GGA,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-In-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-In-O +mp-13505,CeMg2Ni9,-5.3815393192,-0.2852993712,0.0,-0.002635359,GGA,R-3m,AB2C9_hR36_166_a_c_bch:Ce-Mg-Ni,12.0,"Invalid WP multiplicities - AB2C9_hR36_166_a_c_b2c2h:Ce-Mg-Ni, expected CeMg2Ni17 to be CeMg2Ni9" +mp-1226627,CeMg2Ni,-3.762605095,-0.0341586113,0.1694824976,0.1694824976,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ce-Mg-Ni,4.0,AB2C_cF16_216_a_bc_d:Ce-Mg-Ni +mp-1099081,CeMg14Ni,-2.0935306375,0.0387910209,0.1044909633,0.1044909633,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Ni, expected CeMg18Ni to be CeMg14Ni" +mp-1028403,CeMg14Ni,-2.0350225875,0.0972990709,0.1629990133,0.1629990133,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Ni, expected CeMg26Ni to be CeMg14Ni" +mp-1022586,CeMg6Ni,-2.6012039862,0.0631592806,0.1748396118,0.1748396118,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Ni,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Ni +mp-1099328,CeMg6Ni,-2.5719294825,0.0924337844,0.2041141156,0.2041141156,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Ni +mp-13435,CeMgNi4,-5.5029917600000005,-0.3940057725,0.0,-0.0675159949,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-Mg-Ni,6.0,ABC4_cF24_216_a_c_e:Ce-Mg-Ni +mp-697677,CeMg2H7,-3.7091386603,-0.4208655033,0.0,-0.0023632833,GGA,P4_12_12,AB7C2_tP40_92_a_a3b_b:Ce-H-Mg,40.0,AB7C2_tP40_92_a_a3b_b:Ce-H-Mg +mp-1200874,Ce2MgNi2,-5.318887218,-0.313540874,0.000453168,-0.0579117996,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:Ce-Mg-Ni,40.0,A2BC2_mP40_14_4e_2e_4e:Ce-Mg-Ni +mp-19910,Ce2MgNi2,-5.319340386,-0.313994042,0.0,-0.0583649676,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ce-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:Ce-Mg-Ni +mp-1213828,CeMg(NiH)4,-4.781941536,-0.3594595255,0.0,-0.0004366352,GGA,Pmn2_1,AB4CD4_oP20_31_a_2ab_a_2ab:Ce-H-Mg-Ni,20.0,AB4CD4_oP20_31_a_2ab_a_2ab:Ce-H-Mg-Ni +mp-1205661,CeMg(NiH)4,-4.630360293,-0.2078782825,0.151581243,0.1511446078,GGA,F-43m,AB4CD4_cF40_216_a_e_c_e:Ce-H-Mg-Ni,10.0,AB4CD4_cF40_216_a_e_c_e:Ce-H-Mg-Ni +mp-1222992,LaNd(CoO3)2,-7.9333713915,-2.573279152,0.0,-0.0070482355,GGA+U,Pmc2_1,A2BCD6_oP20_26_c_a_b_ab2c:Co-La-Nd-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_26_c_a_b_ab3c:Co-La-Nd-O, expected LaNd(CoO4)2 to be LaNd(CoO3)2" +mp-1222865,LaNdCo10,-6.7590402858,-0.0267625785,0.0330501812,0.0330501812,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-La-Nd,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-La-Nd, expected LaNdCo12 to be LaNdCo10" +mp-861942,Ag2GePbS4,-4.3717511538,-0.5534278539,0.0,-0.0015583543,GGA,Ama2,A2BCD4_oC32_40_c_b_a_2bc:Ag-Ge-Pb-S,16.0,"Invalid WP multiplicities - A2BCD4_oC32_40_c_b_a_4b3c:Ag-Ge-Pb-S, expected Ag2GePbS10 to be Ag2GePbS4" +mp-1112414,K2TlAuCl6,-3.320379665,-1.4255253649,0.0844432278,0.0844432278,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tl +mp-976190,K3TlAu5,-2.7468548094000003,-0.2953825886,0.0,-0.0008943208,GGA,Imma,A5B3C_oI36_74_agh_eh_e:Au-K-Tl,18.0,"Invalid WP multiplicities - A5B3C_oI36_74_a2gh_e2h_e:Au-K-Tl, expected K5TlAu7 to be K3TlAu5" +mp-1191230,Pr4FeS7,-6.6342823075,-1.921882866,0.1675338838,0.1675338838,GGA,P2_1,AB4C7_mP24_4_a_4a_7a:Fe-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Fe-Pr-S +mp-10912,BaPr2FeS5,-6.4790091006,-1.9642249901,0.0307187594,0.0307187594,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-Pr-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-Pr-S +mp-561830,Cs2CoS2,-4.378775854,-0.9443713994,0.034172319,0.034172319,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Cs-S,10.0,AB2C2_oI20_72_a_j_j:Co-Cs-S +mp-557018,Cs(CoS)2,-5.48420423,-0.8072166908,0.0,-0.0125501099,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Cs-S,5.0,A2BC2_tI10_139_d_a_e:Co-Cs-S +mp-558911,Cs2Co3S4,-5.259748005,-0.8529082720000001,0.0256299364,0.0256299364,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Co-Cs-S,18.0,"Invalid WP multiplicities - A3B2C4_oI36_72_2a2f_j_k:Co-Cs-S, expected CsCo3S2 to be Cs2Co3S4" +mp-561722,CsTmCoS3,-5.7001412625,-1.5519903973,0.0638352817,0.0638352817,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Co-Cs-S-Tm,12.0,ABC3D_oC24_63_c_c_cf_a:Co-Cs-S-Tm +mp-9089,CsTmS2,-5.4736492075,-2.0626148252,0.0015890562,-0.1538347467,GGA,R-3m,AB2C_hR12_166_a_c_b:Cs-S-Tm,4.0,AB2C_hR12_166_a_c_b:Cs-S-Tm +mp-1078990,CsTmS2,-5.4752382637,-2.0642038815,0.0,-0.155423803,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-S-Tm,8.0,AB2C_hP8_194_c_f_a:Cs-S-Tm +mp-1213119,Dy2Cu(SiO3)4,-8.2060600174,-3.2389907013,0.0160407751,0.0160407751,GGA,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Cu-Dy-O-Si,19.0,AB2C12D4_aP19_2_a_i_6i_2i:Cu-Dy-O-Si +mp-1410067,TaReO6,-9.3115091313,-2.5637044959,0.0365617904,0.0365617904,GGA,P2_1/m,A6BC_mP16_11_2e2f_a_d:O-Re-Ta,16.0,"Invalid WP multiplicities - A6BC_mP16_11_4e7f_a_c:O-Re-Ta, expected TaReO18 to be TaReO6" +mp-2229205,MgTa2(ReO6)2,-9.09333925,-2.6483301785,0.1210271976,0.1210271976,GGA,Pm,AB12C2D2_mP17_6_a_2a2b4c_c_c:Mg-O-Re-Ta,17.0,"Invalid WP multiplicities - AB12C2D2_mP17_6_a_2a2b8c_c_c:Mg-O-Re-Ta, expected MgTa2(ReO10)2 to be MgTa2(ReO6)2" +mp-558740,Dy3CuGeS7,-6.0163246671,-1.724845991,0.0,-0.0176409765,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Cu-Dy-Ge-S,24.0,"Invalid WP multiplicities - AB3CD7_hP24_173_a_c_b_b5c:Cu-Dy-Ge-S, expected Dy3CuGeS16 to be Dy3CuGeS7" +mp-1215818,ZnNiTe3O8,-5.8414345562,-1.53041089,0.0,-0.0003967688,GGA+U,C2,AB8C3D_mC52_5_c_8c_ab2c_c:Ni-O-Te-Zn,26.0,AB8C3D_mC52_5_c_8c_ab2c_c:Ni-O-Te-Zn +mp-1046551,Zn4Ni5(TeO6)3,-5.9352695743,-1.5216038303,0.0026687681,0.0026687681,GGA+U,C2/c,A5B18C3D4_mC120_15_e2f_9f_af_2f:Ni-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_e4f_35f_c2f_6f:Ni-O-Te-Zn, expected Zn12Ni9(TeO14)5 to be Zn4Ni5(TeO6)3" +mp-1220963,NaNdS2,-5.5354760075,-1.9445828926,0.0955638225,-0.0071044322,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Na-Nd-S,4.0,ABC2_tP4_123_a_d_bc:Na-Nd-S +mp-676360,NaNdS2,-5.61909993,-2.0282068151,0.0119399,-0.0907283547,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Na-Nd-S,8.0,ABC2_tI16_141_a_b_e:Na-Nd-S +mp-999470,NaNdS2,-5.63103983,-2.0401467151,0.0,-0.1026682547,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Nd-S,4.0,ABC2_hR12_166_a_b_c:Na-Nd-S +mp-1190540,NaNd3GeS7,-5.9232216425,-1.822792933,0.0118247386,0.0118247386,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Ge-Na-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Ge-Na-Nd-S +mp-1329459,Mg3Co2(GeO4)3,-6.7809743064,-2.1686331144,0.0719568504,0.0719568504,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Mg-O +mp-12398,Mg(CoGe)6,-5.7678650723,-0.2302993838,0.0051827779,0.0051827779,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Co-Ge-Mg,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_2cde_a:Co-Ge-Mg, expected Mg(Co3Ge4)2 to be Mg(CoGe)6" +mp-1206386,Mg(Co2Ge3)2,-5.5083666018,-0.2563922055,0.0,-0.0526875366,GGA,I-42m,A4B6C_tI22_121_i_ci_a:Co-Ge-Mg,11.0,A4B6C_tI22_121_i_ci_a:Co-Ge-Mg +mp-2231473,MgCo2(GeO3)4,-6.8508261758,-1.9208634603,0.0741351893,0.0741351893,GGA+U,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Co-Ge-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Co-Ge-Mg-O +mp-1096254,MgCo2Ge,-2.93237273,2.1776131438,2.3993595225,2.3993595225,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Ge-Mg,4.0,A2BC_oI8_71_e_a_b:Co-Ge-Mg +mp-1018808,MgCoGe,-4.7395370717,-0.2956618383,0.0,-0.08270565,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Ge-Mg,6.0,ABC_tP6_129_a_c_c:Co-Ge-Mg +mp-1043149,MgCo(GeO3)2,-6.9360409968,-2.1725624145,0.0048675548,0.004367565,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Co-Ge-Mg-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Co-Ge-Mg-O +mp-1043189,MgCo(GeO3)2,-6.9409085515,-2.1774299693,0.0,-0.0004999897,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Co-Ge-Mg-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Co-Ge-Mg-O +mp-555978,Sm3CuGeS7,-6.0659972383,-1.7465687385000002,0.0,-0.0411294787,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-S-Sm,24.0,"Invalid WP multiplicities - ABC7D3_hP24_173_a_b_2b4c_c:Cu-Ge-S-Sm, expected Sm3CuGeS14 to be Sm3CuGeS7" +mp-2217131,MgNbTl3S4,-4.6254580867,-0.6993120869,0.3216783544,0.3216783544,GGA,R3m,ABC4D3_hR27_160_a_a_ab_b:Mg-Nb-S-Tl,9.0,ABC4D3_hR27_160_a_a_ab_b:Mg-Nb-S-Tl +mp-1219860,Pr6Cd(SiS7)2,-6.180838977,-1.9039146949,0.0,-0.0123577846,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-Pr-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-Pr-S-Si +mp-36912,Pr2CdS4,-5.6999356514,-1.8384355461,0.0967452043,0.0967452043,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Cd-Pr-S +mp-1046025,Mg(MoO2)4,-8.4645978738,-1.9602601677,0.1430718425,0.1430718425,GGA+U,P1,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O,13.0,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O +mp-2219314,Mg(MoO2)4,-8.2948135638,-1.7904758577000002,0.3128561525,0.3128561525,GGA+U,P1,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O,13.0,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O +mp-2219380,Mg(MoO2)4,-8.3840789531,-1.8797412469,0.2235907633,0.2235907633,GGA+U,P1,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O,13.0,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O +mp-2240843,Mg(MoO2)4,-8.3566091131,-1.8522714069,0.2510606033,0.2510606033,GGA+U,P1,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O,13.0,AB4C8_aP13_1_a_4a_8a:Mg-Mo-O +mp-2242266,Mg(MoO2)4,-8.35751069,-1.8531729838,0.2501590263,0.2501590263,GGA+U,Cm,AB4C8_mC26_8_a_4a_8a:Mg-Mo-O,13.0,AB4C8_mC26_8_a_4a_8a:Mg-Mo-O +mp-2227581,Mg(MoO2)4,-8.5130924038,-2.0087546977,0.0945773125,0.0945773125,GGA+U,C2/m,AB4C8_mC26_12_a_hi_2ij:Mg-Mo-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_2h2i_4i4j:Mg-Mo-O, expected Mg(MoO3)8 to be Mg(MoO2)4" +mp-1044208,Mg(MoO2)4,-8.4084203838,-1.9040826777,0.1992493325,0.1992493325,GGA+U,R-3m,AB4C8_hR39_166_a_bd_ch:Mg-Mo-O,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Mg-Mo-O, expected Mg(Mo2O7)2 to be Mg(MoO2)4" +mp-1349418,MgMo3O7,-8.1096704557,-1.8583930594,0.351580673,0.351580673,GGA+U,Pnma,AB3C7_oP44_62_c_cd_c3d:Mg-Mo-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_c2d_c3d:Mg-Mo-O, expected MgMo5O7 to be MgMo3O7" +mp-1387028,MgMo2O5,-8.1301442769,-2.1270162986,0.1532963144,0.1532963144,GGA+U,P1,AB2C5_aP16_1_2a_4a_10a:Mg-Mo-O,16.0,AB2C5_aP16_1_2a_4a_10a:Mg-Mo-O +mp-1043219,MgMo2O5,-7.9476617388,-1.9445337605,0.3357788525,0.3357788525,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Mg-Mo-O,16.0,AB2C5_oC32_63_c_f_c2f:Mg-Mo-O +mp-2228945,Mg(MoO3)4,-8.1576164018,-2.0197843415,0.1008110207,0.1008110207,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O +mp-2224720,Mg(MoO3)4,-8.1760095535,-2.0381774932,0.0824178689,0.0824178689,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O +mp-2229132,Mg(MoO3)4,-8.1809395124,-2.0431074521,0.0774879101,0.0774879101,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O +mp-2229268,Mg(MoO3)4,-8.1090880259,-1.9712559656,0.1493393966,0.1493393966,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O +mp-2241510,Mg(MoO3)4,-8.1222149453,-1.984382885,0.1362124771,0.1362124771,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O,17.0,AB4C12_aP17_1_a_4a_12a:Mg-Mo-O +mp-2228923,Mg(MoO3)4,-8.0727524665,-1.9349204062,0.185674956,0.185674956,GGA+U,Pm,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O,17.0,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O +mp-2228937,Mg(MoO3)4,-8.1179876229,-1.9801555626,0.1404397995,0.1404397995,GGA+U,Pm,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O,17.0,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O +mp-2225030,Mg(MoO3)4,-8.1572262965,-2.0193942362,0.101201126,0.101201126,GGA+U,Pm,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O,17.0,AB4C12_mP17_6_a_2a2b_6a6b:Mg-Mo-O +mp-1099250,Mg3MoO4,-6.7329966038,-2.3038409656,0.3658898934,0.3658898934,GGA+U,Pm-3m,A3BC4_cP8_221_c_a_bd:Mg-Mo-O,8.0,"Invalid WP multiplicities - A3BC4_cP8_221_c_a_b2d:Mg-Mo-O, expected Mg3MoO7 to be Mg3MoO4" +mp-1368730,Mg3Mo2O7,-7.5064831033,-2.4132363243,0.1249855175,0.1249855175,GGA+U,Cmc2_1,A3B2C7_oC48_36_ab_b_a3b:Mg-Mo-O,24.0,"Invalid WP multiplicities - A3B2C7_oC48_36_ab_b_a4b:Mg-Mo-O, expected Mg3Mo2O9 to be Mg3Mo2O7" +mp-1333532,Mg(MoO2)2,-8.1189201557,-1.9648722821,0.2078271218,0.2078271218,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Mg-Mo-O,42.0,AB2C4_aP42_1_6a_12a_24a:Mg-Mo-O +mp-1041206,Mg(MoO2)2,-8.2404326612,-2.0863847876,0.0863146163,0.0863146163,GGA+U,P1,AB2C4_aP42_1_6a_12a_24a:Mg-Mo-O,42.0,AB2C4_aP42_1_6a_12a_24a:Mg-Mo-O +mp-1325878,Mg(MoO2)2,-8.1275465689,-1.9734986954,0.1992007086,0.1992007086,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Mg-Mo-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a16b:Mg-Mo-O, expected Mg4Mo11O24 to be Mg(MoO2)2" +mp-1042581,Mg(MoO2)2,-8.159809785,-2.0057619114,0.1669374925,0.1669374925,GGA+U,C2/m,AB2C4_mC28_12_i_2i_4i:Mg-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Mg-Mo-O, expected MgMo3O7 to be Mg(MoO2)2" +mp-1041687,Mg(MoO2)2,-8.1890624489,-2.0350145754,0.1376848286,0.1376848286,GGA+U,Pbcm,AB2C4_oP28_57_d_e_cde:Mg-Mo-O,28.0,"Invalid WP multiplicities - AB2C4_oC28_63_c_f_3a3c5f:Mg-Mo-O, expected Mg(MoO8)2 to be Mg(MoO2)2" +mp-1042131,Mg(MoO2)2,-8.1295323261,-1.9754844525,0.1972149514,0.1972149514,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Mg-Mo-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Mg-Mo-O +mp-1047337,Mg(MoO2)2,-8.1841556464,-2.0301077729,0.1425916311,0.1425916311,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Mo-O,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Mo-O +mp-1047626,Mg(MoO2)2,-8.190443505,-2.0363956314,0.1363037725,0.1363037725,GGA+U,Cmcm,AB2C4_oC28_63_c_f_acf:Mg-Mo-O,14.0,AB2C4_oC28_63_c_f_acf:Mg-Mo-O +mp-1041889,Mg(MoO2)2,-8.1384616007,-1.9844137271,0.1882856768,0.1882856768,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Mg-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2h3i:Mg-Mo-O, expected Mg(MoO5)2 to be Mg(MoO2)2" +mp-1048861,Mg(MoO2)2,-8.2114411993,-2.0573933257,0.1153060782,0.1153060782,GGA+U,R3m,AB2C4_hR42_160_2a_ab_2a2b:Mg-Mo-O,14.0,AB2C4_hR42_160_2a_ab_2a2b:Mg-Mo-O +mp-1392899,Mg(MoO2)2,-8.2952142221,-2.1411663486,0.0315330554,0.0315330554,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Mg-Mo-O,14.0,"Invalid WP multiplicities - AB2C4_hR42_166_c_ad_2c3h:Mg-Mo-O, expected MgMo2O11 to be Mg(MoO2)2" +mp-1047726,Mg(MoO2)2,-8.3110493979,-2.1570015243,0.0156978796,0.0156978796,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Mo-O,14.0,AB2C4_cF56_227_a_d_e:Mg-Mo-O +mp-1046644,MgMo3O8,-8.1870572683,-2.0444955958,0.1727482269,0.1727482269,GGA+U,Cmc2_1,AB3C8_oC48_36_a_ab_4a2b:Mg-Mo-O,24.0,"Invalid WP multiplicities - AB3C8_oC48_36_a_2a2b_6a4b:Mg-Mo-O, expected Mg(Mo3O7)2 to be MgMo3O8" +mp-1048490,MgMo3O8,-8.1280419038,-1.9854802313,0.2317635915,0.2317635915,GGA+U,Cmc2_1,AB3C8_oC48_36_a_ab_4a2b:Mg-Mo-O,24.0,"Invalid WP multiplicities - AB3C8_oC48_36_a_2a2b_6a4b:Mg-Mo-O, expected Mg(Mo3O7)2 to be MgMo3O8" +mp-1044272,MgBiMoO5,-7.2562784403,-2.1287955845,0.0680654602,0.0680654602,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Mg-Mo-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Mg-Mo-O, expected MgBiMoO15 to be MgBiMoO5" +mp-1042627,MgBiMoO5,-7.2500170694,-2.1225342136,0.0743268311,0.0743268311,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Mg-Mo-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Mg-Mo-O, expected MgBiMoO31 to be MgBiMoO5" +mp-1407797,Mg2Mo3O8,-8.0069557808,-2.2138003869,0.1260297404,0.1260297404,GGA+U,C2/m,A2B3C8_mC26_12_i_ah_2ij:Mg-Mo-O,13.0,A2B3C8_mC26_12_i_ah_2ij:Mg-Mo-O +mp-19139,Mg2Mo3O8,-8.0866525808,-2.2934971869,0.0463329404,0.0463329404,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Mg-Mo-O,26.0,A2B3C8_hP26_186_2b_c_ab2c:Mg-Mo-O +mp-19047,MgMoO4,-7.7841984287,-2.4120842612,0.0,-0.0475703523,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Mg-Mo-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Mg-Mo-O +mp-1180375,MgMoO9,-6.2027966736,-1.0240577135,0.2916246108,0.2916246108,GGA+U,P-1,ABC9_aP22_2_be_i_9i:Mg-Mo-O,22.0,ABC9_aP22_2_be_i_9i:Mg-Mo-O +mp-1233165,Mg(Mo3O8)2,-8.2371563983,-1.8971042204,0.1978758431,0.1978758431,GGA+U,P1,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O,23.0,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O +mp-1233223,Mg(Mo3O8)2,-8.2048987935,-1.8648466157,0.2301334479,0.2301334479,GGA+U,P1,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O,23.0,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O +mp-1234003,Mg(Mo3O8)2,-8.2034304196,-1.8633782417,0.2316018218,0.2316018218,GGA+U,P1,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O,23.0,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O +mp-1234938,Mg(Mo3O8)2,-8.2069273422,-1.8668751643,0.2281048992,0.2281048992,GGA+U,P1,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O,23.0,AB6C16_aP23_1_a_6a_16a:Mg-Mo-O +mp-1373466,Mg(Mo3O8)2,-8.1996053183,-1.8595531404,0.2354269231,0.2354269231,GGA+U,P3m1,AB6C16_hP23_156_a_2d_a2bc4d:Mg-Mo-O,23.0,"Invalid WP multiplicities - AB6C16_hP23_156_a_5d_a2bc9d:Mg-Mo-O, expected MgMo15O31 to be Mg(Mo3O8)2" +mp-2217081,Mg(MoO3)2,-7.9172780722,-2.0315322347,0.2506584008,0.2506584008,GGA+U,Pm,AB2C6_mP9_6_a_ab_3a3b:Mg-Mo-O,9.0,AB2C6_mP9_6_a_ab_3a3b:Mg-Mo-O +mp-2217142,Mg(MoO3)2,-8.01938189,-2.1336360525,0.1485545831,0.1485545831,GGA+U,Pm,AB2C6_mP9_6_a_ab_3a3b:Mg-Mo-O,9.0,AB2C6_mP9_6_a_ab_3a3b:Mg-Mo-O +mp-1045691,Mg(MoO3)2,-8.0313881989,-2.1456423614,0.1365482742,0.1365482742,GGA+U,Pc,AB2C6_mP18_7_a_2a_6a:Mg-Mo-O,18.0,"Invalid WP multiplicities - AB2C6_mP18_7_a_4a_10a:Mg-Mo-O, expected Mg(Mo2O5)2 to be Mg(MoO3)2" +mp-2217108,Mg(MoO3)2,-7.9439869611,-2.0582411236,0.2239495119,0.2239495119,GGA+U,Amm2,AB2C6_oC18_38_a_ab_3a3b:Mg-Mo-O,9.0,AB2C6_oC18_38_a_ab_3a3b:Mg-Mo-O +mp-1042299,MgMo2O7,-7.9051563925,-2.1133162676,0.1132923633,0.1041447579,GGA+U,P2_1,AB2C7_mP20_4_a_2a_7a:Mg-Mo-O,20.0,AB2C7_mP20_4_a_2a_7a:Mg-Mo-O +mp-27604,MgMo2O7,-8.0184487558,-2.2266086309,0.0,-0.0091476054,GGA+U,P2_1/c,AB2C7_mP40_14_e_2e_7e:Mg-Mo-O,40.0,"Invalid WP multiplicities - AB2C7_mP40_14_e_2e_9e:Mg-Mo-O, expected MgMo2O9 to be MgMo2O7" +mp-1026461,Mg14BiMo,-2.2265137044,0.0916150419,0.1446645861,0.1446645861,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Mo, expected Mg18BiMo to be Mg14BiMo" +mp-1026457,Mg14BiMo,-2.2459363131,0.0721924331,0.1252419774,0.1252419774,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Mo, expected Mg26BiMo to be Mg14BiMo" +mp-2228803,MgBi4(MoO6)2,-7.0085244663,-1.8499033439,0.1229666591,0.1229666591,GGA+U,C2/m,A4BC2D12_mC38_12_2i_a_bc_2i2j:Bi-Mg-Mo-O,19.0,"Invalid WP multiplicities - A4BC2D12_mC38_12_2i_b_ac_4i6j:Bi-Mg-Mo-O, expected MgBi4(MoO16)2 to be MgBi4(MoO6)2" +mp-1211208,Mg4(MoO4)3,-7.6065708884,-2.4329743061,0.0527300353,0.0527300353,GGA+U,Pnma,A4B3C12_oP76_62_2cd_cd_2c5d:Mg-Mo-O,76.0,A4B3C12_oP76_62_2cd_cd_2c5d:Mg-Mo-O +mp-1347236,Mg2Mo2O5,-7.3897527489,-1.875830096,0.4927228403,0.4927228403,GGA+U,Pmc2_1,A2B2C5_oP18_26_2a_2b_2a3b:Mg-Mo-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_26_4a_3b_4a5b:Mg-Mo-O, expected Mg4(MoO3)3 to be Mg2Mo2O5" +mp-2232112,Mg(Mo2O5)2,-8.28870053,-1.9920493565,0.1862263785,0.1862263785,GGA+U,Pm,AB4C10_mP15_6_a_2c_ab4c:Mg-Mo-O,15.0,"Invalid WP multiplicities - AB4C10_mP15_6_a_3c_ab6c:Mg-Mo-O, expected Mg(Mo3O7)2 to be Mg(Mo2O5)2" +mp-1047806,MgMo4O9,-8.1559342186,-1.7628571549,0.4069229314,0.4069229314,GGA+U,P4/n,AB4C9_tP28_85_c_g_a2g:Mg-Mo-O,28.0,AB4C9_tP28_85_c_g_a2g:Mg-Mo-O +mp-1016624,Mg6BiMo,-2.872151715,0.1638257275,0.2453409973,0.2453409973,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Mo, expected Mg12BiMo to be Mg6BiMo" +mp-1016640,Mg6BiMo,-2.83982435,0.1961530925,0.2776683623,0.2776683623,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Mo, expected Mg12BiMo to be Mg6BiMo" +mp-1342607,MgMoO3,-7.832319318,-2.3751200592,0.059938091,0.059938091,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Mg-Mo-O,20.0,ABC3_oP20_62_c_a_cd:Mg-Mo-O +mp-1185896,MgMoO3,-7.251489126,-1.7942898673,0.640768283,0.640768283,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Mg-Mo-O,5.0,ABC3_cP5_221_a_b_c:Mg-Mo-O +mp-1228564,Ba2Si3GeO10,-7.7748516834,-3.1371129998,0.0112435771,0.0112435771,GGA,P2_1,A2BC10D3_mP32_4_2a_a_10a_3a:Ba-Ge-O-Si,32.0,A2BC10D3_mP32_4_2a_a_10a_3a:Ba-Ge-O-Si +mp-1228626,Ba2Si3Ge5O18,-7.4299383904,-2.7060298172,0.0114694325,0.0114694325,GGA,P-6,A2B5C18D3_hP28_174_g_hj_jk2l_k:Ba-Ge-O-Si,28.0,A2B5C18D3_hP28_174_g_hj_jk2l_k:Ba-Ge-O-Si +mp-1227766,BaSiGe,-4.3667498233,-0.3776428817,0.0439319933,0.0439319933,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-Ge-Si,12.0,ABC_cP12_198_a_a_a:Ba-Ge-Si +mp-674493,In2NiS4,-4.6773623364,-0.7017475354,0.0732090965,0.0732090965,GGA,Imma,A2BC4_oI28_74_ae_c_hi:In-Ni-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_a2e_c_2hi:In-Ni-S, expected In3NiS6 to be In2NiS4" +mp-20960,In2NiS4,-4.6434845779,-0.6678697768,0.1070868551,0.1070868551,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:In-Ni-S,14.0,A2BC4_cF56_227_c_b_e:In-Ni-S +mp-677093,Cr(InS2)2,-5.3645668064,-0.8356790354,0.0297044071,0.0297044071,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Cr-In-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2hi:Cr-In-S, expected Cr(InS3)2 to be Cr(InS2)2" +mp-1103898,Cr(InS2)2,-5.2830831071,-0.7541953361,0.1111881063,0.1111881063,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cr-In-S,14.0,AB2C4_cF56_227_a_d_e:Cr-In-S +mp-20708,In2Ni3S2,-4.9960248771,-0.5507852723000001,0.0,-0.0759948926,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:In-Ni-S,7.0,A2B3C2_hR21_166_ab_d_c:In-Ni-S +mp-1226434,CrInNiS4,-5.6898117293,-0.7282878225,0.1035027826,0.1035027826,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-In-Ni-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Cr-In-Ni-S, expected CrInNiS8 to be CrInNiS4" +mp-1226160,Cr5InS8,-6.9563752457,-0.9486238161,0.0,-0.0081078772,GGA,Cm,A5BC8_mC28_8_5a_a_8a:Cr-In-S,14.0,A5BC8_mC28_8_5a_a_8a:Cr-In-S +mp-1226368,Cr2InS4,-6.3324254557,-0.8176285789000001,0.1045888368,0.1045888368,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Cr-In-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2h2i:Cr-In-S, expected Cr2InS8 to be Cr2InS4" +mp-1007991,CrInNi2,-5.9326659825,0.0585851575,0.1528817413,0.1528817413,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-In-Ni,4.0,ABC2_cF16_225_a_b_c:Cr-In-Ni +mp-676500,Cr9In7S24,-6.058636048,-0.9232857944,0.0010388072,0.0010388072,GGA,Cm,A9B7C24_mC80_8_a4b_3a2b_4a10b:Cr-In-S,40.0,"Invalid WP multiplicities - A9B7C24_mC80_8_a7b_3a3b_4a20b:Cr-In-S, expected Cr15In9S44 to be Cr9In7S24" +mp-18973,CoSe2O5,-6.1309011834,-1.2767031451,0.0,-0.0208500255,GGA+U,Pbcn,AB5C2_oP32_60_c_c2d_d:Co-O-Se,32.0,AB5C2_oP32_60_c_c2d_d:Co-O-Se +mp-562404,Li2Co3(SeO3)4,-6.1937774724,-1.5039341598,0.0,-0.0298239991,GGA+U,P2_1/c,A3B2C12D4_mP42_14_ae_e_6e_2e:Co-Li-O-Se,42.0,"Invalid WP multiplicities - A3B2C12D4_mP42_14_a2e_e_23e_4e:Co-Li-O-Se, expected Li2Co5(Se4O23)2 to be Li2Co3(SeO3)4" +mp-504678,CoSeO4,-6.3022099121,-1.2370458925,0.0,-0.1074938234,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Co-O-Se,24.0,AB4C_oP24_62_a_2cd_c:Co-O-Se +mp-551407,CoSeO4,-6.2971190417,-1.2319550221,0.0050908704,-0.102402953,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Co-O-Se,12.0,AB4C_oC24_63_a_fg_c:Co-O-Se +mp-775276,Co3(SeO3)4,-6.1139659792,-1.1313941987,0.143224231,0.143224231,GGA+U,P2_1/c,A3B12C4_mP38_14_ae_6e_2e:Co-O-Se,38.0,"Invalid WP multiplicities - A3B12C4_mP38_14_2a2e_21e_3e:Co-O-Se, expected CoSeO7 to be Co3(SeO3)4" +mp-1190800,Co(SeO4)2,-5.4366328709000005,-0.5572101036,0.4430331113,0.4430331113,GGA+U,P2_1/c,AB8C2_mP22_14_a_4e_e:Co-O-Se,22.0,AB8C2_mP22_14_a_4e_e:Co-O-Se +mp-562826,CoSeO3,-6.4052290106,-1.3163699293,0.0,-0.0380040621,GGA+U,C2/c,AB3C_mC160_15_4f_12f_4f:Co-O-Se,80.0,"Invalid WP multiplicities - AB3C_mC160_15_6f_12f_4f:Co-O-Se, expected Co3(SeO3)2 to be CoSeO3" +mp-22616,CoSeO3,-6.3759718795,-1.2871127982,0.0292571311,-0.008746931,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Se,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_4c4d_c:Co-O-Se, expected CoSeO12 to be CoSeO3" +mp-1213856,CoSeO5,-5.7677702257,-0.7195312502,0.3407938005,0.3407938005,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Co-O-Se,28.0,AB5C_mP28_14_e_5e_e:Co-O-Se +mp-1213781,CoSeO5,-5.94214777,-0.8939087944,0.1664162563,0.1664162563,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Co-O-Se,14.0,AB5C_mC28_15_c_e2f_e:Co-O-Se +mp-18483,Rb6Si2O7,-5.8512130633,-2.4271689651,0.0,-0.0242973909,GGA,P2_1/c,A7B6C2_mP30_14_a3e_3e_e:O-Rb-Si,30.0,"Invalid WP multiplicities - A7B6C2_mP30_14_a5e_4e_e:O-Rb-Si, expected Rb8Si2O11 to be Rb6Si2O7" +mp-680306,Rb14Si10O17,-5.8972173692,-2.1880865056,0.0,-0.0024685064,GGA,P2_1/c,A17B14C10_mP164_14_17e_14e_10e:O-Rb-Si,164.0,"Invalid WP multiplicities - A17B14C10_mP164_14_65e_52e_38e:O-Rb-Si, expected Rb52Si38O65 to be Rb14Si10O17" +mp-1201483,RbSi2O5,-7.3303133244,-2.7597366133,0.1019467811,0.1019467811,GGA,Pnma,A5BC2_oP32_62_c2d_c_d:O-Rb-Si,32.0,A5BC2_oP32_62_c2d_c_d:O-Rb-Si +mp-556390,Rb10Si6O17,-6.5356759,-2.7038287183,0.0005599903,0.0005599903,GGA,Pbca,A17B10C6_oP132_61_a8c_5c_3c:O-Rb-Si,132.0,"Invalid WP multiplicities - A17B10C6_oP132_61_3a56c_34c_19c:O-Rb-Si, expected Rb68Si38O115 to be Rb10Si6O17" +mp-755776,Rb4SiO4,-5.484921555,-2.2477872033,0.0005203175,-0.0362143206,GGA,P-1,A4B4C_aP18_2_4i_4i_i:O-Rb-Si,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_7i_i:O-Rb-Si, expected Rb7SiO7 to be Rb4SiO4" +mp-768813,Rb4SiO4,-5.4854418725,-2.2483075208,0.0,-0.0367346381,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:O-Rb-Si,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_15e_e:O-Rb-Si, expected Rb15SiO15 to be Rb4SiO4" +mp-16194,Rb2SiO3,-6.3391263722,-2.6347176541,0.0,-0.0173451087,GGA,P2_1/c,A3B2C_mP72_14_9e_6e_3e:O-Rb-Si,72.0,"Invalid WP multiplicities - A3B2C_mP72_14_12e_9e_3e:O-Rb-Si, expected Rb3SiO4 to be Rb2SiO3" +mp-680314,Rb14Si6Ge4O17,-5.8493813752,-2.2185227238,0.0,-0.004411203,GGA,P2_1/c,A4B17C14D6_mP164_14_4e_17e_14e_6e:Ge-O-Rb-Si,164.0,"Invalid WP multiplicities - A4B17C14D6_mP164_14_14e_68e_49e_22e:Ge-O-Rb-Si, expected Rb49Si22(Ge7O34)2 to be Rb14Si6Ge4O17" +mp-27376,Rb6Si10O23,-7.4785342433,-3.0192977025,0.0,-0.0128567761,GGA,Amm2,A23B6C10_oC78_38_acde4f_abde_c2f:O-Rb-Si,39.0,A23B6C10_oC78_38_acde4f_abde_c2f:O-Rb-Si +mp-555837,Rb6Si10O23,-7.4733580595,-3.0141215186,0.0051761838,-0.0076805922,GGA,Amm2,A23B6C10_oC78_38_acde4f_abde_c2f:O-Rb-Si,39.0,"Invalid WP multiplicities - A23B6C10_oC78_38_a2c2d2e13f_ab2de_2c6f:O-Rb-Si, expected Rb8Si28O65 to be Rb6Si10O23" +mp-561189,Rb6Si10O23,-7.4655356121,-3.0062990712,0.0129986313,0.0001418552,GGA,P-62m,A23B6C10_hP39_189_cgil_fg_hi:O-Rb-Si,39.0,"Invalid WP multiplicities - A23B6C10_hP39_189_2c3g5i6l_f2g_3h3i:O-Rb-Si, expected Rb9(Si6O23)5 to be Rb6Si10O23" +mp-28971,Rb2Si2O5,-7.0618612719,-2.8901781874,0.0,-0.015470436,GGA,C2/c,A5B2C2_mC72_15_2e4f_2f_2f:O-Rb-Si,36.0,"Invalid WP multiplicities - A5B2C2_mC72_15_2e6f_2f_3f:O-Rb-Si, expected Rb2Si3O7 to be Rb2Si2O5" +mp-1047903,Be3Cr2(SiO4)3,-8.1540684657,-2.8460408577000003,0.1567222329,0.1567222329,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Cr-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Cr-O-Si, expected Be4Cr2Si3O17 to be Be3Cr2(SiO4)3" +mp-1193887,BeCr2O4,-8.7196970364,-2.6008023721,0.0,-0.0231252829,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:Be-Cr-O,28.0,AB2C4_oP28_62_c_ac_2cd:Be-Cr-O +mp-776431,BeCrO4,-7.5248174858,-1.9949482892,0.0783089861,0.0783089861,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Be-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_g2i_h2i_4i5j:Be-Cr-O, expected Be3Cr3O14 to be BeCrO4" +mp-772665,BeCrO4,-7.5125053783,-1.9826361817,0.0906210936,0.0906210936,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Be-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_15e:Be-Cr-O, expected BeCrO15 to be BeCrO4" +mp-770887,BeCrO4,-7.5911321762,-2.0612629796,0.0119942957,0.0119942957,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Be-Cr-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Be-Cr-O, expected BeCrO13 to be BeCrO4" +mp-1078528,Ir(NCl3)2,-3.50786545,0.5590949933,0.9853312856,0.9853312856,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Ir-N,9.0,A6BC2_cF36_225_e_a_c:Cl-Ir-N +mp-1079049,Ir(NCl)4,-4.6894849356,0.8192440111,1.2454803033,1.2454803033,GGA,P1,A4BC4_aP9_1_4a_a_4a:Cl-Ir-N,9.0,A4BC4_aP9_1_4a_a_4a:Cl-Ir-N +mp-1192759,Ir3(NCl)10,-5.4488104796,0.1323033635,0.6326677065,0.6326677065,GGA,C2/m,A10B3C10_mC46_12_g4i_ai_i2j:Cl-Ir-N,23.0,A10B3C10_mC46_12_g4i_ai_i2j:Cl-Ir-N +mp-1212592,IrRu2(NCl)10,-5.5959660591,0.0230580761,0.5394552013,0.5394552013,GGA,C2/m,A10BC10D2_mC46_12_g4i_a_i2j_i:Cl-Ir-N-Ru,23.0,A10BC10D2_mC46_12_g4i_a_i2j_i:Cl-Ir-N-Ru +mp-1201368,IrN5Cl3,-5.2044204647,1.0251927336,1.4514290258,1.4514290258,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Cl-Ir-N,36.0,A3BC5_oP36_62_cd_c_3cd:Cl-Ir-N +mp-1179667,RuN5Cl3,-5.3503345253,0.9277196019,1.3744422269,1.3744422269,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Cl-N-Ru,36.0,A3B5C_oP36_62_cd_3cd_c:Cl-N-Ru +mp-1079581,Ru(N3Cl)2,-4.6609624078,2.3379759711,2.6357910544000003,2.6357910544000003,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cl-N-Ru,9.0,A2B6C_cF36_225_c_e_a:Cl-N-Ru +mp-1212932,Ru(N2Cl)3,-5.8792370775,0.6046611295000001,1.006711492,1.006711492,GGA,C2/m,A3B6C_mC120_12_3i3j_g3i7j_adgh:Cl-N-Ru,60.0,A3B6C_mC120_12_3i3j_g3i7j_acgh:Cl-N-Ru +mp-1112472,K2EuAgCl6,-4.635100792,-1.9949432263,0.017226903,0.017226903,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Eu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Eu-K +mp-1112113,Cs2RbYBr6,-4.083022509,-2.227424518,0.0112239075,0.0112239075,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Rb-Y +mp-1113330,CsRb2YBr6,-4.016289706,-2.152178545,0.0699381893,0.0699381893,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cs-Rb-Y +mp-1213572,CsW3Cl7,-6.1560818023,-1.3643045584,0.0,-0.0029323464,GGA,P31c,A7BC3_hP44_159_2b4c_ab_2c:Cl-Cs-W,44.0,A7BC3_hP44_159_2b4c_ab_2c:Cl-Cs-W +mp-30234,Cs2WCl6,-4.6864157367,-1.8152874107,0.0,-0.0465750598,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-W,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-W +mp-541753,Cs2WBr6,-4.1965645689,-1.5224417962,0.0,-0.0467467002,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-W,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-W +mp-1226055,CsW3Br7,-5.7369646861,-1.1332381978,0.0,-0.0120372552,GGA,P31c,A7BC3_hP44_159_2b4c_ab_2c:Br-Cs-W,44.0,A7BC3_hP44_159_2b4c_ab_2c:Br-Cs-W +mp-1213292,CsW3Br7,-5.7361792798,-1.1324527914,0.0007854064,-0.0112518489,GGA,P-31c,A7BC3_hP44_163_f2i_bc_i:Br-Cs-W,44.0,A7BC3_hP44_163_f2i_bc_i:Br-Cs-W +mp-582076,CsW3Br3Cl4,-5.9710926268,-1.2599085639,0.0082904772,0.0082904772,GGA,P31c,A3B4CD3_hP44_159_2c_2b2c_ab_2c:Br-Cl-Cs-W,44.0,"Invalid WP multiplicities - A3B4CD3_hP44_159_6c_3b10c_ab_8c:Br-Cl-Cs-W, expected Cs2W24(Br6Cl11)3 to be CsW3Br3Cl4" +mp-30974,CsWCl6,-4.7566242275,-1.6385301572,0.0,-0.013888965,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-Cs-W,16.0,A6BC_mC32_15_3f_e_a:Cl-Cs-W +mp-568039,Cs(WCl3)3,-5.7297079150000005,-1.3907369148,0.016617386,0.016617386,GGA,P-3,A9BC3_hP26_147_3g_d_g:Cl-Cs-W,26.0,"Invalid WP multiplicities - A9BC3_hP26_147_9g_d_g:Cl-Cs-W, expected Cs(WCl9)3 to be Cs(WCl3)3" +mp-568614,Cs3W2Cl9,-4.9254603029,-1.6940819088,0.0563738086,0.0563738086,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-W,28.0,"Invalid WP multiplicities - A9B3C2_hP28_194_3h3k_2b3f_f:Cl-Cs-W, expected Cs8W2Cl27 to be Cs3W2Cl9" +mp-1211562,LiEu2RuO6,-8.6151622795,-2.4774161521,0.0,-0.0096994928,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Li-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Eu-Li-O-Ru +mp-1206825,Lu2SeO2,-8.006941848,-3.52070386,0.0,-0.0600467892,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Lu-O-Se,5.0,A2B2C_hP5_164_d_d_a:Lu-O-Se +mp-29789,Lu(ClO4)3,-5.3164083231,-0.9772317584,0.0,-0.0765821692,GGA,R3c,A3BC12_hR96_161_b_a_4b:Cl-Lu-O,32.0,"Invalid WP multiplicities - A3BC12_hR96_161_b_a_5b:Cl-Lu-O, expected Lu(ClO5)3 to be Lu(ClO4)3" +mp-1402587,Se2Cl2O5,-4.3539444589,-0.418128922,0.469809874,0.469809874,GGA,I4/mmm,A2B5C2_tI18_139_e_ag_e:Cl-O-Se,9.0,A2B5C2_tI18_139_e_ag_e:Cl-O-Se +mp-768293,LuSeO3,-7.1159742635,-2.5445886372,0.0375785195,0.0375785195,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Lu-O-Se,40.0,"Invalid WP multiplicities - AB3C_mP40_14_3e_21e_3e:Lu-O-Se, expected LuSeO7 to be LuSeO3" +mp-1189170,Lu(ClO2)3,-4.7142623115,-0.7395930347,0.5737420355,0.5737420355,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Lu-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Lu-O +mp-23096,LuSeClO3,-6.6181375079,-2.5005600427,0.0,-0.1748564631,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Lu-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_c2d_c:Cl-Lu-O-Se, expected LuSeClO5 to be LuSeClO3" +mp-1111099,Li2CoAgF6,-4.612004198,-2.0892448643,0.3146460165,0.3146460165,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Li +mp-1112191,K2AlInBr6,-3.405292935,-1.6016701916,0.1029215463,0.1029215463,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-In-K +mp-1186118,NaCaO3,-4.958331354,-1.3246930926,0.546416482,0.546416482,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ca-Na-O,5.0,ABC3_cP5_221_b_a_c:Ca-Na-O +mp-6281,NaCa3RuO6,-6.7803002905,-2.5717675867,0.0,-0.0285269647,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Na-O-Ru,22.0,A3BC6D_hR66_167_e_a_f_b:Ca-Na-O-Ru +mp-553949,Ag2Hg2(TeO4)3,-5.0582290371,-1.107562987,0.0,-0.014536507,GGA,P2_1/c,A2B2C12D3_mP38_14_e_e_6e_ae:Ag-Hg-O-Te,38.0,"Invalid WP multiplicities - A2B2C12D3_mP38_14_e_e_22e_2a2e:Ag-Hg-O-Te, expected AgHgTe3O22 to be Ag2Hg2(TeO4)3" +mp-1101845,EuGaGe,-6.5793846517,-0.6100094258000001,0.0,-0.0393845365,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Eu-Ga-Ge,12.0,ABC_hP12_194_ab_f_f:Eu-Ga-Ge +mp-1184814,Eu3GaO6,-9.312744018,-2.964820649,0.00499041,0.00499041,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Eu-Ga-O,20.0,A3BC6_oC40_36_ab_a_2a2b:Eu-Ga-O +mp-1212729,EuGaO3,-8.315547045,-2.6905142538,0.0639373912,0.0639373912,GGA,Pnma,ABC3_oP20_62_c_a_cd:Eu-Ga-O,20.0,ABC3_oP20_62_c_a_cd:Eu-Ga-O +mp-1206706,EuGaO3,-8.324854689,-2.6998218978,0.0546297472,0.0546297472,GGA,P6_3/mmc,ABC3_hP10_194_a_c_bf:Eu-Ga-O,10.0,ABC3_hP10_194_a_c_bf:Eu-Ga-O +mp-1193402,Eu3(Ga2Ge3)2,-5.8697066204,-0.4372791881,0.0,-0.0049219573,GGA,C2/m,A3B4C6_mC52_12_3i_4i_6i:Eu-Ga-Ge,26.0,A3B4C6_mC52_12_3i_4i_6i:Eu-Ga-Ge +mp-1184040,Eu2Ga2O5,-8.3473200967,-2.646915741,0.0115845412,0.0115845412,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Eu-Ga-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_ab_h_c2i:Eu-Ga-O, expected Eu2Ga2O9 to be Eu2Ga2O5" +mp-1225721,Eu(GaGe2)2,-5.1801378686,-0.2079514021,0.074417713,0.074417713,GGA,Cmcm,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge,14.0,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge +mp-1225812,Eu(GaGe2)2,-5.1999000764,-0.22771361,0.0546555052,0.0546555052,GGA,Cmcm,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge,14.0,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge +mp-1226129,Eu(GaGe2)2,-5.1913745336,-0.2191880671,0.063181048,0.063181048,GGA,Cmcm,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge,14.0,AB2C4_oC28_63_c_f_2f:Eu-Ga-Ge +mp-1213196,EuGaGe2O7,-7.5988220775,-2.4026425765,0.0,-0.0052650179,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Eu-Ga-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Eu-Ga-Ge-O +mp-1213411,Eu3Ga5O12,-7.9103594402,-2.6467719379,0.0,-0.0294815908,GGA,Ia-3d,A3B5C12_cI160_230_c_ad_h:Eu-Ga-O,80.0,A3B5C12_cI160_230_c_ad_h:Eu-Ga-O +mp-13932,Ba2DyReO6,-8.100870627,-3.0439310098,0.0,-0.0223089517,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Re +mp-1111045,CsRb2AlF6,-5.164568648,-3.3574766328,0.0357384963,0.0357384963,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cs-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cs-F-Rb +mp-1113048,Cs2RbAlF6,-5.034015208,-3.2354363628,0.1539424897,0.1539424897,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Rb +mp-569308,Bi2(PSe3)3,-4.4476510054,-0.4916446426,0.0038645841,-0.0273596927,GGA,P-1,A2B3C9_aP56_2_4i_6i_18i:Bi-P-Se,56.0,"Invalid WP multiplicities - A2B3C9_aP56_2_7i_12i_35i:Bi-P-Se, expected Bi7P12Se35 to be Bi2(PSe3)3" +mp-28975,Bi2(PSe3)3,-4.4515155895,-0.4955092267,0.0,-0.0312242768,GGA,P2_1/c,A2B3C9_mP56_14_2e_3e_9e:Bi-P-Se,56.0,"Invalid WP multiplicities - A2B3C9_mP56_14_2e_3e_13e:Bi-P-Se, expected Bi2P3Se13 to be Bi2(PSe3)3" +mp-683998,CuBi(PSe3)2,-4.4235022987,-0.4493253308,0.0081695593,0.0081695593,GGA,R-3,ABC2D6_hR120_148_2c_2c_4c_4f:Bi-Cu-P-Se,40.0,"Invalid WP multiplicities - ABC2D6_hR120_148_4c_4c_8c_21f:Bi-Cu-P-Se, expected Cu4Bi4P8Se63 to be CuBi(PSe3)2" +mp-569715,CuBi(PSe3)2,-4.419088273,-0.4449113051,0.012583585,0.012583585,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Bi-Cu-P-Se,20.0,ABC2D6_hP20_163_c_a_f_i:Bi-Cu-P-Se +mp-1185561,CsSbO3,-5.590575104,-1.6176811548,0.3255781875,0.3255781875,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Sb,5.0,AB3C_cP5_221_a_c_b:Cs-O-Sb +mp-29970,Cs3Sb5O14,-6.1685641736,-1.9601616612,0.0,-0.1813234334,GGA,Pbam,A3B14C5_oP88_55_2gh_e2g3h4i_g2hi:Cs-O-Sb,88.0,"Invalid WP multiplicities - A3B14C5_oP88_55_2gh_e2g3h7i_g2hi:Cs-O-Sb, expected Cs3(SbO4)5 to be Cs3Sb5O14" +mp-562072,Cs3SbO3,-4.8672550964,-1.773644455,0.0,-0.0957005188,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Cs-O-Sb,28.0,"Invalid WP multiplicities - A3B3C_cP28_198_9a_b_a:Cs-O-Sb, expected Cs9SbO3 to be Cs3SbO3" +mp-510273,CsSbO2,-5.5874115125,-1.8579662539,0.0,-0.0682877484,GGA,C2/c,AB2C_mC16_15_e_f_e:Cs-O-Sb,8.0,AB2C_mC16_15_e_f_e:Cs-O-Sb +mp-1203289,CsGeSbO5,-6.3864832423,-2.0888738644,0.0,-0.017991297,GGA,I4_122,ABC5D_tI256_98_2cdf_2g_2c2f8g_2g:Cs-Ge-O-Sb,128.0,ABC5D_tI256_98_2cdf_2g_2c2f8g_2g:Cs-Ge-O-Sb +mp-1226537,Cs3Ge2Sb3O13,-6.2901732486,-2.069877068,0.0,-0.0156733279,GGA,Cmcm,A3B2C13D3_oC84_63_cf_f_c2f2h_ad:Cs-Ge-O-Sb,42.0,"Invalid WP multiplicities - A3B2C13D3_oC84_63_cf_f_c8f8h_2a2d:Cs-Ge-O-Sb, expected Cs3Ge2Sb6O49 to be Cs3Ge2Sb3O13" +mp-553374,Cs4Sb2O5,-5.1314006564,-1.8065774269,0.0,-0.0022704995,GGA,Cm,A4B5C2_mC22_8_4a_a2b_2a:Cs-O-Sb,11.0,"Invalid WP multiplicities - A4B5C2_mC22_8_4a_a3b_2a:Cs-O-Sb, expected Cs4Sb2O7 to be Cs4Sb2O5" +mp-1201472,Cs3SbO4,-5.2220233656,-1.8967779655,0.0,-0.2244580335,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Cs-O-Sb,32.0,A3B4C_oP32_62_cd_2cd_c:Cs-O-Sb +mp-2227263,MgAg2(GeO3)2,-5.7041066573,-1.5048721087,0.3159261834,0.3159261834,GGA,P2/m,A2B2CD6_mP11_10_n_ac_d_m2n:Ag-Ge-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mP11_10_n_ac_d_m4n:Ag-Ge-Mg-O, expected MgAg2(GeO5)2 to be MgAg2(GeO3)2" +mp-2223667,MgAg2(GeO3)2,-5.7055163718,-1.5062818233000002,0.3145164689,0.3145164689,GGA,Pmm2,A2B2CD6_oP11_25_bd_e_a_ac2f:Ag-Ge-Mg-O,11.0,A2B2CD6_oP11_25_bd_e_a_ac2f:Ag-Ge-Mg-O +mp-2223650,MgAg2(GeO3)2,-5.7630745145,-1.5638399660000002,0.2569583261,0.2569583261,GGA,Pmm2,A2B2CD6_oP11_25_ac_f_a_bd2e:Ag-Ge-Mg-O,11.0,A2B2CD6_oP11_25_ac_f_a_bd2e:Ag-Ge-Mg-O +mp-2228680,MgAg4(GeO4)2,-5.4356080747,-1.3189367771,0.1351853112,0.1351853112,GGA,P1,A4B2CD8_aP15_1_4a_2a_a_8a:Ag-Ge-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_2c_ab_a_8c:Ag-Ge-Mg-O, expected MgAg4(GeO8)2 to be MgAg4(GeO4)2" +mp-1329814,Mg3Ag2(GeO4)3,-6.033596436,-1.8488314232,0.166655746,0.166655746,GGA,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Ag-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Ag-Ge-Mg-O +mp-1193666,Ba4In2Te2S5,-4.8164193896,-1.7281018249,0.0,-0.0070873527,GGA,P4/mbm,A4B2C5D2_tP26_127_eg_f_ak_h:Ba-In-S-Te,26.0,A4B2C5D2_tP26_127_eg_f_ak_h:Ba-In-S-Te +mp-1105201,Ba5In4Te4S7,-4.644806183,-1.5383070699,0.0025533372,0.0025533372,GGA,Imm2,A5B4C7D4_oI40_44_a2c_2c_b3c_2c:Ba-In-S-Te,20.0,A5B4C7D4_oI40_44_a2c_2c_b3c_2c:Ba-In-S-Te +mp-1193204,Ba2InS4,-5.0310023543,-1.7259404861,0.0013378028,0.0013378028,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Ba-In-S,28.0,A2BC4_aP28_2_4i_2i_8i:Ba-In-S +mp-1229044,Ba12In4S19,-5.0970598354,-1.8791460734,0.0181015754,0.0181015754,GGA,R-3,A12B4C19_hR210_148_4f_4c_ab6c4f:Ba-In-S,70.0,A12B4C19_hR210_148_4f_4c_ab6c4f:Ba-In-S +mp-21943,Ba(InS2)2,-4.7904446605,-1.3664243937,0.0,-0.0496131529,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Ba-In-S,56.0,AB2C4_oF224_70_abe_2h_4h:Ba-In-S +mp-22841,Ba2In2S5,-4.9205409532,-1.5845891005,0.0,-0.004028095,GGA,Pbca,A2B2C5_oP72_61_2c_2c_5c:Ba-In-S,72.0,"Invalid WP multiplicities - A2B2C5_oP72_61_2c_2c_8c:Ba-In-S, expected BaInS4 to be Ba2In2S5" +mp-27499,BaTeS3,-4.6844284145,-1.1901023277,0.0,-0.0420995798,GGA,Pnma,AB3C_oP20_62_c_cd_c:Ba-S-Te,20.0,AB3C_oP20_62_c_cd_c:Ba-S-Te +mp-7878,Ca(AgGe)2,-3.684558126,-0.3012046067,0.0,-0.0073113972,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ag-Ca-Ge,5.0,A2BC2_tI10_139_d_a_e:Ag-Ca-Ge +mp-1365542,Ca3Ag2(GeO4)3,-6.3434124072,-2.0978494199,0.0669318799,0.0669318799,GGA,Ia-3d,A2B3C3D12_cI160_230_a_c_d_h:Ag-Ca-Ge-O,80.0,A2B3C3D12_cI160_230_a_c_d_h:Ag-Ca-Ge-O +mp-983566,Ca2AgGe,-3.3544101625,-0.4877142579,0.0205291944,0.0205291944,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ca-Ge,4.0,AB2C_cF16_225_a_c_b:Ag-Ca-Ge +mp-1342614,Ca2Ag2O5,-5.4432423256,-1.6199361786000002,0.1626704472,0.1626704472,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Ag-Ca-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Ag-Ca-O, expected CaAgO6 to be Ca2Ag2O5" +mp-1227350,CaAgGe,-3.5953402633,-0.4416123506,0.0482096653,-0.0006830989,GGA,C2/m,ABC_mC12_12_i_i_i:Ag-Ca-Ge,6.0,ABC_mC12_12_i_i_i:Ag-Ca-Ge +mp-1200102,CaAgGe,-3.6435499286,-0.4898220158,0.0,-0.0488927642,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Ag-Ca-Ge,36.0,ABC_oP36_62_3c_3c_3c:Ag-Ca-Ge +mp-997005,CaAgO2,-5.5765899687000005,-1.8937066423,0.0124981675,-0.0037679544,GGA,Cmmm,ABC2_oC16_65_ab_f_gj:Ag-Ca-O,8.0,"Invalid WP multiplicities - ABC2_oC16_65_ab_f_2gj:Ag-Ca-O, expected CaAgO3 to be CaAgO2" +mp-997004,CaAgO2,-5.5890881362,-1.9062048098,0.0,-0.0162661219,GGA,Cmme,ABC2_oC16_67_c_f_ag:Ag-Ca-O,8.0,"Invalid WP multiplicities - ABC2_oC16_67_c_f_a2g:Ag-Ca-O, expected CaAgO3 to be CaAgO2" +mp-997030,CaAgO2,-5.5580070525,-1.875123726,0.0310810838,0.0148149619,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Ca-O,4.0,ABC2_tP4_123_a_d_bc:Ag-Ca-O +mp-1042261,Ca(AgO2)2,-5.106505065,-1.1840098176,0.1631542614,0.0407909023,GGA,P-1,A2BC4_aP14_2_2i_i_4i:Ag-Ca-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_3i_i_7i:Ag-Ca-O, expected CaAg3O7 to be Ca(AgO2)2" +mp-1330090,Ca(AgO2)2,-5.0419168293,-1.1194215819,0.2277424971,0.105379138,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Ag-Ca-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Ag-Ca-O, expected Ca4Ag11O24 to be Ca(AgO2)2" +mp-1361265,Ca(AgO2)2,-5.0345518048,-1.1120565574,0.2351075217,0.1127441625,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Ag-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Ag-Ca-O, expected Ca(AgO2)3 to be Ca(AgO2)2" +mp-1047480,Ca(AgO2)2,-5.2356283596,-1.3131331123,0.0340309668,-0.0883323924,GGA,Pbcm,A2BC4_oP28_57_e_d_cde:Ag-Ca-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Ag-Ca-O, expected Ca(AgO8)2 to be Ca(AgO2)2" +mp-1041823,Ca(AgO2)2,-5.1450887814,-1.222593534,0.124570545,0.0022071858,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Ag-Ca-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Ag-Ca-O +mp-1347716,Ca(AgO2)2,-5.0848823275,-1.1623870801,0.1847769989,0.0624136398,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ag-Ca-O,28.0,A2BC4_oP28_62_2c_c_4c:Ag-Ca-O +mp-1047403,Ca(AgO2)2,-5.1219055721,-1.1994103248,0.1477537543,0.0253903951,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Ag-Ca-O,14.0,A2BC4_oC28_63_f_c_acf:Ag-Ca-O +mp-1041519,Ca(AgO2)2,-5.012102405,-1.0896071576,0.2575569214,0.1351935623,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Ag-Ca-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Ag-Ca-O, expected Ca(AgO5)2 to be Ca(AgO2)2" +mp-1047036,Ca(AgO2)2,-5.2696593264,-1.347164079,0.0,-0.1223633592,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Ag-Ca-O,14.0,A2BC4_tI28_88_c_b_f:Ag-Ca-O +mp-1047132,Ca(AgO2)2,-5.1349596479,-1.2124644005,0.1346996786,0.0123363194,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Ag-Ca-O,14.0,A2BC4_tI28_141_c_b_h:Ag-Ca-O +mp-1044625,Ca(AgO2)2,-5.0103044486,-1.0878092012,0.2593548779,0.1369915187,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Ag-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Ag-Ca-O, expected Ca2(AgO2)9 to be Ca(AgO2)2" +mp-1044913,Ca(AgO2)2,-5.0400023533,-1.117507106,0.2296569731,0.1072936139,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Ag-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Ag-Ca-O, expected Ca2Ag8O15 to be Ca(AgO2)2" +mp-1044712,Ca(AgO2)2,-5.0643808736,-1.1418856262,0.2052784529,0.0829150937,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Ag-Ca-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Ag-Ca-O +mp-1392996,Ca(AgO2)2,-4.9875999714,-1.065104724,0.282059355,0.1596959958,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ag-Ca-O,14.0,A2BC4_cF56_227_c_b_e:Ag-Ca-O +mp-1227088,Ca6Ag3Ge5,-3.66454156,-0.5469410911,0.0,-0.0002818024,GGA,Cm,A3B6C5_mC28_8_3a_6a_5a:Ag-Ca-Ge,14.0,A3B6C5_mC28_8_3a_6a_5a:Ag-Ca-Ge +mp-1188784,Li2CdSnS4,-4.2710654369,-1.1090520849,0.0,-0.0379884164,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cd-Li-S-Sn,16.0,AB2C4D_oP16_31_a_b_2ab_a:Cd-Li-S-Sn +mp-12580,Li2CdSn,-2.50860691,-0.3210300729,0.0,-0.0203501247,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Sn +mp-1207849,Y2MnSi2,-5.69805054,0.8910681757000001,1.555844506,1.555844506,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Si-Y,5.0,AB2C2_tP5_123_a_g_g:Mn-Si-Y +mp-1223332,La3Y(MnSi)4,-7.1296314658,-0.4943126561,0.0105370146,0.0105370146,GGA,P4mm,A3B4C4D_tP12_99_a2b_2c_2a2b_a:La-Mn-Si-Y,12.0,"Invalid WP multiplicities - A3B4C4D_tP12_99_a2b_4c_2a2b_a:La-Mn-Si-Y, expected La3Y(Mn2Si)4 to be La3Y(MnSi)4" +mp-3854,Y(MnSi)2,-7.733470394,-0.6052428425,0.0,-0.0654519993,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-Y +mp-1222977,LaY3(MnSi)4,-7.4237184608,-0.5333223164,0.0110426937,0.0110426937,GGA,P4mm,AB4C4D3_tP12_99_a_2c_2a2b_a2b:La-Mn-Si-Y,12.0,"Invalid WP multiplicities - AB4C4D3_tP12_99_a_4c_2a2b_a2b:La-Mn-Si-Y, expected LaY3(Mn2Si)4 to be LaY3(MnSi)4" +mp-1198388,Y2Mn3Si5,-7.3434950972,-0.588937272,0.0,-0.0017018325,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Y,40.0,A3B5C2_tP40_128_dh_egh_h:Mn-Si-Y +mp-21249,YMnSi,-7.58147441,-0.5635395982,0.0,-0.0111622095,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Si-Y,6.0,ABC_tP6_129_a_c_c:Mn-Si-Y +mp-1222970,LaY9Si8,-6.6587007633,-0.7399901319000001,0.0117097149,0.0117097149,GGA,P2_1,AB8C9_mP36_4_a_8a_9a:La-Si-Y,36.0,AB8C9_mP36_4_a_8a_9a:La-Si-Y +mp-1222768,LaY(MnSi)2,-7.2215503817,-0.4586929046,0.0664975174,0.0664975174,GGA,P4mm,AB2C2D_tP6_99_a_c_ab_b:La-Mn-Si-Y,6.0,AB2C2D_tP6_99_a_c_ab_b:La-Mn-Si-Y +mp-1222755,LaY(MnSi)4,-7.534430233,-0.5592490823,0.002833042,0.002833042,GGA,P4/mmm,AB4C4D_tP10_123_a_i_gh_d:La-Mn-Si-Y,10.0,"Invalid WP multiplicities - AB4C4D_tP10_123_a_i_g2h_d:La-Mn-Si-Y, expected LaY(Mn2Si3)2 to be LaY(MnSi)4" +mp-573114,Gd3CuGeS7,-8.4029717887,-1.7441592627,0.0,-0.0298636016,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Cu-Gd-Ge-S,24.0,"Invalid WP multiplicities - AB3CD7_hP24_173_a_c_b_2b7c:Cu-Gd-Ge-S, expected Gd3CuGeS23 to be Gd3CuGeS7" +mp-1191419,NdEuCuS3,-7.1580601692,-1.9024425853,0.0,-0.0126738833,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Nd-S,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Nd-S +mp-37693,Nd2EuS4,-7.5733487671,-2.3820493196,0.0,-0.0076866739,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Eu-Nd-S +mp-1192793,PrMoBrO4,-7.8769015282,-2.5959959511,0.0,-0.0144667023,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Pr,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Pr +mp-4226,LiCrS2,-6.211872165,-1.2531546474,0.0,-0.0680247969,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Li-S,4.0,ABC2_hP4_164_a_b_d:Cr-Li-S +mp-753974,Li8CrS6,-4.668936307,-1.3527276667,0.0357310397,0.0357310397,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Cr-Li-S,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Cr-Li-S, expected Li31CrS16 to be Li8CrS6" +mp-1238788,Li(CrS2)2,-6.3021682321,-0.9077657644,0.1859318143,0.1811027093,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-Li-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-Li-S +mp-1238817,Li(CrS2)2,-6.4881000464,-1.0936975787,0.0,-0.004829105,GGA,P2/m,A2BC4_mP7_10_ae_c_mn:Cr-Li-S,14.0,"Invalid WP multiplicities - A2BC4_mP7_10_ce_a_2mn:Cr-Li-S, expected Li(CrS3)2 to be Li(CrS2)2" +mp-1238813,Li(CrS2)2,-6.4494049171,-1.0550024494,0.0386951293,0.0338660243,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Li-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Li-S +mp-1045358,Li(CrS2)2,-6.4803783414,-1.0859758737,0.007721705,0.0028926,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Li-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Li-S +mp-1238778,Li(CrS2)2,-6.4719750896,-1.0775726219,0.0161249568,0.0112958518,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Li-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Li-S +mp-1238802,Li(CrS2)2,-6.4307060064,-1.0363035387,0.05739404,0.052564935,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Li-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Li-S +mp-1238803,Li(CrS2)2,-6.4376444879,-1.0432420201,0.0504555586,0.0456264536,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Li-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Li-S +mp-1238844,Li(CrS2)2,-6.3772891454,-0.9828866776,0.1108109011,0.1059817961,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Cr-Li-S,28.0,A2BC4_oP28_62_ac_c_2cd:Cr-Li-S +mp-1238856,Li(CrS2)2,-6.292944585,-0.8985421173,0.1951554614,0.1903263564,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Cr-Li-S,28.0,A2BC4_oP28_62_2c_c_2cd:Cr-Li-S +mp-1045432,Li(CrS2)2,-6.4624456207,-1.068043153,0.0256544257,0.0208253207,GGA,Imma,A2BC4_oI28_74_ac_b_hi:Cr-Li-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_b_4h3i:Cr-Li-S, expected Li(Cr2S7)2 to be Li(CrS2)2" +mp-1392117,Li(CrS2)2,-6.3267364907,-0.932334023,0.1613635557,0.1565344507,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Cr-Li-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h3i:Cr-Li-S, expected Li(CrS6)2 to be Li(CrS2)2" +mp-1238786,Li(CrS2)2,-6.477569535,-1.0831670673,0.0105305114,0.0057014064,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Li-S,14.0,A2BC4_tI28_141_c_b_h:Cr-Li-S +mp-753833,Li2CrS4,-5.3370028829,-1.0489039299,0.0,-0.010579295,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Li-S,7.0,"Invalid WP multiplicities - AB2C4_mC14_12_a_i_3i:Cr-Li-S, expected Li2CrS6 to be Li2CrS4" +mp-753632,Li2CrS3,-5.4912227292,-1.1778489285,0.0376439825,0.0376439825,GGA,C2/m,AB2C3_mC24_12_g_adh_ij:Cr-Li-S,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_ach_2ij:Cr-Li-S, expected Li2CrS4 to be Li2CrS3" +mp-756176,Li2CrS3,-5.490348165,-1.1769743643,0.0385185467,0.0385185467,GGA,C2/c,AB2C3_mC48_15_2e_cef_3f:Cr-Li-S,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2a2e3f_11f:Cr-Li-S, expected Li10Cr3S22 to be Li2CrS3" +mp-766971,Li4CrS4,-5.0212917861,-1.2618986301,0.0496863894,0.0496863894,GGA,Pnma,AB4C4_oP36_62_c_acd_2cd:Cr-Li-S,36.0,"Invalid WP multiplicities - AB4C4_oP36_62_c_2a4c2d_7c2d:Cr-Li-S, expected Li10CrS11 to be Li4CrS4" +mp-755947,Li3(CrS2)4,-6.3102748893000005,-1.1482377283,0.0305036203,0.0305036203,GGA,R3m,A4B3C8_hR45_160_ab_b_2a2b:Cr-Li-S,15.0,"Invalid WP multiplicities - A4B3C8_hR45_160_ab_b_2a4b:Cr-Li-S, expected Li3(Cr2S7)2 to be Li3(CrS2)4" +mp-752529,Li5CrS4,-4.879561284,-1.3052151569,0.098308244,0.098308244,GGA,Immm,AB5C4_oI20_71_a_bn_fg:Cr-Li-S,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_bn_2fg:Cr-Li-S, expected Li5CrS6 to be Li5CrS4" +mp-1222382,LiCr4InS8,-6.4281572893,-0.973557617,0.1003277229,0.0749520645,GGA,R3m,A4BCD8_hR42_160_ab_a_a_2a2b:Cr-In-Li-S,14.0,A4BCD8_hR42_160_ab_a_a_2a2b:Cr-In-Li-S +mp-1211182,LiCr4InS8,-6.5284850121,-1.0738853399,0.0,-0.0253756584,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-In-Li-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-In-Li-S +mp-753966,Li6CrS4,-4.7221903982,-1.2992463857,0.0981990342,0.0981990342,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cr-Li-S,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Cr-Li-S, expected Li16CrS4 to be Li6CrS4" +mp-753982,Li3CrS4,-5.1632407025,-1.1725387603,0.0241232825,0.0241232825,GGA,P-43m,AB3C4_cP8_215_a_d_e:Cr-Li-S,8.0,AB3C4_cP8_215_a_d_e:Cr-Li-S +mp-755933,Li2Fe3S4,-5.8324517444,-0.7464840966,0.2600489517,0.2600489517,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Fe-Li-S,18.0,"Invalid WP multiplicities - A3B2C4_mC36_15_ef_f_3f:Fe-Li-S, expected Li2(FeS2)3 to be Li2Fe3S4" +mp-1177966,Li2Fe3S4,-5.7262292883,-0.6402616405,0.3662714078,0.3662714078,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Fe-Li-S,18.0,"Invalid WP multiplicities - A3B2C4_mC36_15_e2f_f_3f:Fe-Li-S, expected Li2Fe5S6 to be Li2Fe3S4" +mp-1177404,Li4FeS3,-4.7100662312,-1.1456834466,0.1716222194,0.1716222194,GGA,Pbca,AB4C3_oP64_61_c_4c_3c:Fe-Li-S,64.0,"Invalid WP multiplicities - AB4C3_oP64_61_c_13c_9c:Fe-Li-S, expected Li13FeS9 to be Li4FeS3" +mp-754660,LiFeS2,-5.5357780294,-0.8728170768,0.1986159506,0.1986159506,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Fe-Li-S,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:Fe-Li-S, expected LiFeS3 to be LiFeS2" +mp-756094,LiFeS2,-5.6240491,-0.9610881474,0.11034488,0.11034488,GGA,P-3m1,ABC2_hP4_164_a_b_d:Fe-Li-S,4.0,ABC2_hP4_164_a_b_d:Fe-Li-S +mp-1176715,LiFeS2,-5.5726207619,-0.9096598093,0.1617732181,0.1617732181,GGA,Fd-3m,ABC2_cF64_227_c_d_e:Fe-Li-S,16.0,ABC2_cF64_227_c_d_e:Fe-Li-S +mp-757098,Li2Fe2S3,-5.56633263,-0.8281558080000001,0.2494109814,0.2494109814,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Fe-Li-S,14.0,A2B2C3_mP14_14_e_e_ae:Fe-Li-S +mp-755457,Li2Fe2S3,-5.5811871529,-0.8430103309,0.2345564586,0.2345564586,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Fe-Li-S,14.0,A2B2C3_mP14_14_e_e_ae:Fe-Li-S +mp-768204,Li2Fe2S3,-5.6361623236,-0.8979855016,0.1795812879,0.1795812879,GGA,C2/c,A2B2C3_mC56_15_2f_2ef_3f:Fe-Li-S,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_7f_3e2f_11f:Fe-Li-S, expected Li7(Fe7S11)2 to be Li2Fe2S3" +mp-768361,Li2Fe2S3,-5.6190410614,-0.8808642394,0.19670255,0.19670255,GGA,C2/c,A2B2C3_mC56_15_2ef_2f_3f:Fe-Li-S,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_3e2f_7f_11f:Fe-Li-S, expected Li14Fe7S22 to be Li2Fe2S3" +mp-1176979,Li6FeS4,-4.5242591727,-1.208863002,0.159296365,0.159296365,GGA,Imm2,AB6C4_oI22_44_a_3c_abc:Fe-Li-S,11.0,"Invalid WP multiplicities - AB6C4_oI22_44_a_5c_abc:Fe-Li-S, expected Li10FeS4 to be Li6FeS4" +mp-754210,Li6FeS4,-4.5980003895,-1.2826042189,0.0855551482,0.0855551482,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Fe-Li-S,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Fe-Li-S, expected Li16FeS4 to be Li6FeS4" +mp-756489,Li6FeS4,-4.4576472895,-1.1422511189,0.2259082482,0.2259082482,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Fe-Li-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_9c_2b3c:Fe-Li-S, expected Li27FeS11 to be Li6FeS4" +mp-753818,Li3(FeS2)2,-5.3331390917,-0.9761823708,0.1696920433,0.1696920433,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Fe-Li-S,18.0,"Invalid WP multiplicities - A2B3C4_mC36_15_f_e2f_3f:Fe-Li-S, expected Li5(FeS3)2 to be Li3(FeS2)2" +mp-768335,Li3(FeS2)2,-5.3391341578,-0.9821774369,0.1636969772,0.1636969772,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Li-S,36.0,"Invalid WP multiplicities - A2B3C4_oP36_62_d_2c3d_5c4d:Fe-Li-S, expected Li8Fe2S13 to be Li3(FeS2)2" +mp-768360,Li3(FeS2)2,-5.3203687619,-0.9634120411,0.1824623731,0.1824623731,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-Li-S,36.0,"Invalid WP multiplicities - A2B3C4_oP36_62_d_3c2d_7c2d:Fe-Li-S, expected Li7Fe2S11 to be Li3(FeS2)2" +mp-752856,Li10Fe4S9,-5.0159382504,-1.0943138022,0.1500278578,0.1500278578,GGA,P4_2/nmc,A4B10C9_tP46_137_g_dh_afg:Fe-Li-S,46.0,"Invalid WP multiplicities - A4B10C9_tP46_137_g_2d3h_2a3f4g:Fe-Li-S, expected Li14Fe2S15 to be Li10Fe4S9" +mp-1191712,LiFe6Ge5,-6.4981805767,-0.1778314599,0.0017203732,0.0017203732,GGA,C2/m,A6B5C_mC48_12_2i2j_5i_i:Fe-Ge-Li,24.0,"Invalid WP multiplicities - A6B5C_hR72_166_3h_5c_c:Fe-Ge-Li, expected LiFe9Ge5 to be LiFe6Ge5" +mp-652425,LiFe6Ge5,-6.4984144971,-0.1780653803,0.0014864528,0.0014864528,GGA,R-3m,A6B5C_hR72_166_2h_5c_c:Fe-Ge-Li,24.0,"Invalid WP multiplicities - A6B5C_hR72_166_9h_7c_c:Fe-Ge-Li, expected LiFe27Ge7 to be LiFe6Ge5" +mp-1105387,Li2FeGeS4,-5.1806006438,-0.9985138605,0.0419465391,0.0419465391,GGA,Pc,ABC2D4_mP16_7_a_a_2a_4a:Fe-Ge-Li-S,16.0,ABC2D4_mP16_7_a_a_2a_4a:Fe-Ge-Li-S +mp-624492,Li(Fe3Ge2)2,-6.6422580909,-0.1676070412,0.0,-0.0009226062,GGA,R-3m,A6B4C_hR33_166_h_2c_a:Fe-Ge-Li,11.0,"Invalid WP multiplicities - A6B4C_hR33_166_h_3c_a:Fe-Ge-Li, expected Li(FeGe)6 to be Li(Fe3Ge2)2" +mp-1040470,Li(FeS2)2,-5.8621818314,-0.8057868665,0.1699358064,0.1699358064,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Li-S,14.0,A2BC4_cF56_227_c_b_e:Fe-Li-S +mp-755796,Li2FeS2,-5.058900053,-0.9467467176,0.258680806,0.258680806,GGA,P2_1/c,AB2C2_mP10_14_a_e_e:Fe-Li-S,10.0,AB2C2_mP10_14_a_e_e:Fe-Li-S +mp-756348,Li2FeS2,-5.176990883,-1.0648375476,0.140589976,0.140589976,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Fe-Li-S,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_3e:Fe-Li-S, expected Li3FeS3 to be Li2FeS2" +mp-775931,Li2FeS2,-5.191924077,-1.0797707416,0.125656782,0.125656782,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Fe-Li-S,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_5e_13e_13e:Fe-Li-S, expected Li13Fe5S13 to be Li2FeS2" +mp-1177986,Li2FeS2,-5.05412014,-0.9419668046,0.263460719,0.263460719,GGA,Immm,AB2C2_oI10_71_a_e_f:Fe-Li-S,5.0,AB2C2_oI10_71_a_e_f:Fe-Li-S +mp-1177971,Li2FeS2,-5.1376710580000005,-1.0255177226,0.179909801,0.179909801,GGA,Ibam,AB2C2_oI20_72_a_j_j:Fe-Li-S,10.0,AB2C2_oI20_72_a_j_j:Fe-Li-S +mp-756187,Li2FeS2,-5.201639458,-1.0894861226,0.115941401,0.115941401,GGA,P4_2/mcm,AB2C2_tP10_132_b_e_i:Fe-Li-S,10.0,AB2C2_tP10_132_b_e_i:Fe-Li-S +mp-753943,Li2FeS2,-5.14215018,-1.0299968446,0.175430679,0.175430679,GGA,P3m1,AB2C2_hP5_156_a_bc_ab:Fe-Li-S,5.0,AB2C2_hP5_156_a_bc_ab:Fe-Li-S +mp-754407,Li2FeS2,-5.08165286,-0.9694995246,0.235927999,0.235927999,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Fe-Li-S,5.0,AB2C2_hP5_164_a_d_d:Fe-Li-S +mp-757165,Li5FeS4,-4.613887122,-1.1578436209,0.172991132,0.172991132,GGA,Imm2,AB5C4_oI20_44_a_b2c_2ac:Fe-Li-S,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_bn_2fg:Fe-Li-S, expected Li5FeS6 to be Li5FeS4" +mp-756173,Li5FeS4,-4.72328098,-1.2672374789,0.063597274,0.063597274,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Fe-Li-S,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:Fe-Li-S, expected Li14FeS10 to be Li5FeS4" +mp-776781,Li5FeS4,-4.7200718208,-1.2640283197,0.0668064333,0.0668064333,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Li-S,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Fe-Li-S, expected Li17FeS13 to be Li5FeS4" +mp-776797,Li5FeS4,-4.6864084771,-1.230364976,0.1004697769,0.1004697769,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Li-S,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Fe-Li-S, expected Li17FeS13 to be Li5FeS4" +mp-1177102,Li5FeS4,-4.614158871,-1.1581153699,0.172719383,0.172719383,GGA,Immm,AB5C4_oI20_71_a_bn_fg:Fe-Li-S,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_bn_2fg:Fe-Li-S, expected Li5FeS6 to be Li5FeS4" +mp-1096837,FeGeS3,-5.642962374,-0.5424826409,0.167047032,0.167047032,GGA,C2/c,ABC3_mC40_15_2e_f_3f:Fe-Ge-S,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_9f:Fe-Ge-S, expected Fe3(GeS9)2 to be FeGeS3" +mp-652399,Li(FeGe)6,-6.3794449074,-0.1896589646,0.0,-0.0252909213,GGA,P6/mmm,A6B6C_hP39_191_io_ehjk_ad:Fe-Ge-Li,39.0,"Invalid WP multiplicities - A6B6C_hP39_191_4i4o_2e3h4j5k_bc:Fe-Ge-Li, expected Li3(Fe36Ge35)2 to be Li(FeGe)6" +mp-21086,Fe2GeS4,-6.0156341514,-0.5715099025,0.155440555,0.155440555,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Fe-Ge-S,28.0,A2BC4_oP28_62_ac_c_2cd:Fe-Ge-S +mp-752670,Li3FeS3,-4.8937553536,-1.0928782949,0.1638416793,0.1638416793,GGA,C2/m,AB3C3_mC28_12_i_ghi_ij:Fe-Li-S,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_gh2i_2ij:Fe-Li-S, expected Li4FeS4 to be Li3FeS3" +mp-768214,Li3FeS3,-4.9325566925,-1.1316796338,0.1250403404,0.1250403404,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Li-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Fe-Li-S, expected Li9FeS9 to be Li3FeS3" +mp-768288,Li3FeS3,-4.8964784682,-1.0956014096,0.1611185646,0.1611185646,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Li-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_7e_11e:Fe-Li-S, expected Li7FeS11 to be Li3FeS3" +mp-777742,Li3FeS3,-4.9167813636,-1.1159043049,0.1408156693,0.1408156693,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Li-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_11e_7e:Fe-Li-S, expected Li11FeS7 to be Li3FeS3" +mp-754052,Li3(Fe2S3)2,-5.7891142315,-0.8333024899,0.1931997827,0.1931997827,GGA,C2/m,A4B3C6_mC26_12_j_ag_ij:Fe-Li-S,13.0,"Invalid WP multiplicities - A4B3C6_mC26_12_j_ag_2ij:Fe-Li-S, expected Li3(FeS2)4 to be Li3(Fe2S3)2" +mp-768400,Li8FeS6,-4.505501077,-1.268160854,0.1044763087,0.1044763087,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Fe-Li-S,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Fe-Li-S, expected Li31FeS16 to be Li8FeS6" +mp-753585,Li14Fe2S9,-4.5528291324,-1.3171086782,0.0673238732,0.0673238732,GGA,P-3,A2B14C9_hP25_147_d_c2g_adg:Fe-Li-S,25.0,"Invalid WP multiplicities - A2B14C9_hP25_147_d_c7g_a2d3g:Fe-Li-S, expected Li44Fe2S23 to be Li14Fe2S9" +mp-744184,TbFeGe2O7,-7.6585147591,-2.4787634865,0.0039600157,0.0039600157,GGA+U,C2/m,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Tb,22.0,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Tb +mp-14649,Tb2Ge2O7,-7.8867932648,-3.0557379112,0.0,-0.1112612137,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Ge-O-Tb,44.0,"Invalid WP multiplicities - A2B7C2_tP44_92_b_a4b_b:Ge-O-Tb, expected Tb2Ge2O9 to be Tb2Ge2O7" +mp-981132,TbGeO3,-7.222090068,-2.4025980502,0.6164286589,0.6164286589,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Tb,5.0,AB3C_cP5_221_b_c_a:Ge-O-Tb +mp-1205718,LaSiOs2C,-8.868215061,-0.4592699635,0.0,-0.027928303,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-La-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-La-Os-Si +mp-1223651,La20Os12C13,-8.0740493229,-0.2202448193,0.0042138193,0.0042138193,GGA,P2/m,A13B20C12_mP45_10_abceg2o_ijklmn2o_mn2o:C-La-Os,45.0,"Invalid WP multiplicities - A13B20C12_mP45_10_abceg2o_2ij2kl2m2n6o_2m2n6o:C-La-Os, expected La44Os32C13 to be La20Os12C13" +mp-1069882,LaSi3Os,-7.098986012,-0.611120287,0.0,-0.0349946192,GGA,I4mm,ABC3_tI10_107_a_a_ab:La-Os-Si,5.0,ABC3_tI10_107_a_a_ab:La-Os-Si +mp-567203,La(SiOs)2,-8.35081505,-0.7025394450000001,0.0,-0.2539159215,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:La-Os-Si,5.0,AB2C2_tI10_139_a_d_e:La-Os-Si +mp-570292,La7Os4C9,-8.4062272275,-0.2802517831,0.0,-0.1070558758,GGA,C2/m,A9B7C4_mC40_12_a4i_b3i_2i:C-La-Os,20.0,"Invalid WP multiplicities - A9B7C4_mC40_12_a7i_b4i_3i:C-La-Os, expected La3Os2C5 to be La7Os4C9" +mp-1205543,TbFe2SiC,-7.747516517,-0.5018381085,0.0,-0.0367657288,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Tb +mp-6624,Tb2Fe2Si2C,-7.2769714243,-0.6643891139,0.0,-0.0804800871,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tb,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tb +mp-1077982,Tb2Fe2Si2C,-6.6895453686,-0.0769630582,0.5874260557000001,0.5069459686,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tb,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Tb +mp-1112656,Cs2NaCeI6,-3.495044934,-1.7063832047,0.0,-0.0167261395,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-Na +mp-570252,UHg4(AsCl3)2,-3.6998276905,-1.1678593643,0.0,-0.0513995978,GGA,Pbca,A2B6C4D_oP104_61_2c_6c_4c_c:As-Cl-Hg-U,104.0,"Invalid WP multiplicities - A2B6C4D_oP104_61_9c_37c_29c_c:As-Cl-Hg-U, expected UHg29As9Cl37 to be UHg4(AsCl3)2" +mp-1222636,Li3Co2RuO6,-6.6158501725,-1.7076885894,0.0204388277,0.0204388277,GGA+U,C2/m,A2B3C6D_mC24_12_g_ch_ij_b:Co-Li-O-Ru,24.0,A2B3C6D_mC24_12_g_ch_ij_b:Co-Li-O-Ru +mp-1222544,Li4CoRuO6,-6.3479752283,-1.8730965559,0.00494451,0.00494451,GGA+U,C2,AB4C6D_mC24_5_a_a3b_3c_a:Co-Li-O-Ru,12.0,"Invalid WP multiplicities - AB4C6D_mC24_5_a_a3b_5c_a:Co-Li-O-Ru, expected Li4CoRuO10 to be Li4CoRuO6" +mp-1222819,Li3CoRuO5,-6.403010106,-1.7187168569,0.0980326925,0.0980326925,GGA+U,C2/m,AB3C5D_mC40_12_g_ad2h_i2j_g:Co-Li-O-Ru,20.0,"Invalid WP multiplicities - AB3C5D_mC40_12_g_ac4h_2i6j_g:Co-Li-O-Ru, expected Li5CoRuO14 to be Li3CoRuO5" +mp-1110933,K2NaNdBr6,-3.878459129,-2.115495069,0.066040525,0.066040525,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Nd +mp-1113790,Rb2TaCuF6,-5.457397237,-2.518704612,0.515766079,0.515766079,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Ta +mp-1111984,K2EuCuCl6,-4.781482355,-2.0146597226,0.010685548,0.010685548,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Eu-K +mp-1220915,NaSmF4,-6.255385355,-3.9742141386,0.0,-0.0305290825,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Na-Sm,18.0,A4BC_aP18_1_12a_3a_3a:F-Na-Sm +mp-1205868,Cs2NaSmF6,-5.485754176,-3.5556751782,0.0,-0.034113081,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sm +mp-1112919,Cs2YAuCl6,-4.338544664,-2.0763068823,0.0997354425,0.0997354425,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-Y +mp-674465,K2SrCl4,-4.1195179925,-2.50459828,0.0270258693,0.0270258693,GGA,Pc,A4B2C_mP28_7_8a_4a_2a:Cl-K-Sr,28.0,"Invalid WP multiplicities - A4B2C_mP28_7_16a_8a_2a:Cl-K-Sr, expected K4SrCl8 to be K2SrCl4" +mp-1224035,K2SrCl4,-4.11827944,-2.5033597275,0.0282644218,0.0282644218,GGA,Cc,A4B2C_mC28_9_4a_2a_a:Cl-K-Sr,14.0,"Invalid WP multiplicities - A4B2C_mC28_9_7a_4a_a:Cl-K-Sr, expected K4SrCl7 to be K2SrCl4" +mp-1120803,K2SrCl4,-4.0833148243,-2.4683951118,0.0632290375,0.0632290375,GGA,R-3m,A4B2C_hR21_166_2c_c_a:Cl-K-Sr,7.0,A4B2C_hR21_166_2c_c_a:Cl-K-Sr +mp-1211382,KSr2Cl5,-4.4531752244,-2.7366665802,0.0,-0.0011564281,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-K-Sr,32.0,A5BC2_mP32_14_5e_e_2e:Cl-K-Sr +mp-569413,K2Sr(NbCl3)6,-5.5438866307,-1.9219687986,0.0,-0.0017960029,GGA,R-3,A18B2C6D_hR81_148_3f_c_f_a:Cl-K-Nb-Sr,27.0,"Invalid WP multiplicities - A18B2C6D_hR81_148_13f_c_f_a:Cl-K-Nb-Sr, expected K2Sr(NbCl13)6 to be K2Sr(NbCl3)6" +mp-581887,Ca2As4Xe5F34,-4.1126335159,-2.1611039798,0.0,-0.0122046066,GGA,P2_1/c,A4B2C34D5_mP90_14_2e_e_17e_a2e:As-Ca-F-Xe,90.0,"Invalid WP multiplicities - A4B2C34D5_mP90_14_6e_e_66e_2a5e:As-Ca-F-Xe, expected CaAs6(XeF11)6 to be Ca2As4Xe5F34" +mp-1213993,CaAs2F12,-5.06747496,-2.78336934,0.0,-0.025691746,GGA,P-4m2,A2BC12_tP15_115_g_a_2gl:As-Ca-F,15.0,"Invalid WP multiplicities - A2BC12_tP15_115_g_a_2g2l:As-Ca-F, expected CaAs2F20 to be CaAs2F12" +mp-557180,CaAs2(XeF5)4,-3.7780802257,-1.9374093843,0.0,-0.0038500719,GGA,P2_1,A2BC20D4_mP54_4_2a_a_20a_4a:As-Ca-F-Xe,54.0,"Invalid WP multiplicities - A2BC20D4_mP54_4_4a_a_38a_8a:As-Ca-F-Xe, expected CaAs4(Xe4F19)2 to be CaAs2(XeF5)4" +mp-1202522,Ca2As4(Xe3F14)3,-3.6851766375,-1.8736791367,0.0029925446,0.0029925446,GGA,P4/ncc,A4B2C42D9_tP228_130_g_ac_2c10g_c2g:As-Ca-F-Xe,228.0,A4B2C42D9_tP228_130_g_ac_2c10g_c2g:As-Ca-F-Xe +mp-685315,CaAs3F15,-5.0854117948,-2.7351412891,0.0218818914,-0.0162652062,GGA,P1,A3BC15_aP152_1_24a_8a_120a:As-Ca-F,152.0,A3BC15_aP152_1_24a_8a_120a:As-Ca-F +mp-1227150,CaAs3F15,-5.1072936862,-2.7570231805,0.0,-0.0381470976,GGA,P2_12_12_1,A3BC15_oP76_19_3a_a_15a:As-Ca-F,76.0,A3BC15_oP76_19_3a_a_15a:As-Ca-F +mp-1111242,K2LiTlBr6,-3.123257913,-1.5422045243,0.0694732847,0.0694732847,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Tl +mp-1113030,Cs2KTlBr6,-3.111186101,-1.6529844192,0.0305375732,0.0305375732,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Tl +mp-24672,Zr6Ni(SnH5)2,-5.7623044482,-0.5511073629000001,0.0856693095,0.0856693095,GGA,P-62c,A10BC2D6_hP38_190_ag2h_b_f_gh:H-Ni-Sn-Zr,38.0,"Invalid WP multiplicities - A10BC2D6_hP38_190_ag2h_b_f_g2h:H-Ni-Sn-Zr, expected Zr9Ni(SnH5)2 to be Zr6Ni(SnH5)2" +mp-780172,Tm2TeO6,-7.6920752578,-3.0503964792,0.0036258444,-0.1795014825,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-Te-Tm,36.0,"Invalid WP multiplicities - A6BC2_oP36_19_21a_a_5a:O-Te-Tm, expected Tm5TeO21 to be Tm2TeO6" +mp-756339,Tm2TeO6,-7.6461737917,-3.0044950131,0.0495273106,-0.1336000164,GGA,P4_2/mnm,A6BC2_tP18_136_fj_a_e:O-Te-Tm,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_2f3j_a_e:O-Te-Tm, expected Tm2TeO16 to be Tm2TeO6" +mp-772191,Tm2TeO6,-7.6957011022,-3.0540223236,0.0,-0.1831273269,GGA,P321,A6BC2_hP27_150_3g_ad_ef:O-Te-Tm,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_15g_a2d_3e2f:O-Te-Tm, expected Tm3TeO18 to be Tm2TeO6" +mp-557354,Tm2Te4O11,-6.7815912874,-2.3146224495,0.0032658634,0.0032658634,GGA,C2/c,A11B4C2_mC68_15_e5f_2f_f:O-Te-Tm,34.0,"Invalid WP multiplicities - A11B4C2_mC68_15_2e18f_5f_f:O-Te-Tm, expected TmTe5O19 to be Tm2Te4O11" +mp-754827,Tm2TeO2,-7.663948098,-3.2662772655,0.008124117,0.0038274868,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Te-Tm,5.0,A2BC2_hP5_164_d_a_d:O-Te-Tm +mp-1101266,Tm2TeO2,-7.672072215,-3.2744013825,0.0,-0.0042966302,GGA,P6_3/mmc,A2BC2_hP10_194_f_b_f:O-Te-Tm,10.0,A2BC2_hP10_194_f_b_f:O-Te-Tm +mp-772096,TmTe3O8,-6.4590782737,-2.002473041,0.0775046086,0.0775046086,GGA,C2/c,A8B3C_mC48_15_4f_af_e:O-Te-Tm,24.0,"Invalid WP multiplicities - A8B3C_mC48_15_15f_2a3f_e:O-Te-Tm, expected Tm(Te4O15)2 to be TmTe3O8" +mp-1211248,Li3Tm3(TeO6)2,-7.0222306201,-2.7821730605,0.0,-0.0191111787,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Tm,80.0,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Tm +mp-729272,Tm2Te5O13,-6.6077315392,-2.1589738613,0.0479385523,0.0327878476,GGA,P1,A13B5C2_aP40_1_26a_10a_4a:O-Te-Tm,40.0,A13B5C2_aP40_1_26a_10a_4a:O-Te-Tm +mp-555236,Tm2Te5O13,-6.6556700915,-2.2069124135,0.0,-0.0151507047,GGA,P-1,A13B5C2_aP40_2_13i_5i_2i:O-Te-Tm,40.0,"Invalid WP multiplicities - A13B5C2_aP40_2_25i_10i_2i:O-Te-Tm, expected Tm2(Te2O5)5 to be Tm2Te5O13" +mp-10772,CeAsO4,-7.8006215029,-2.7374611021,0.0221739408,0.0221739408,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:As-Ce-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:As-Ce-O, expected CeAsO13 to be CeAsO4" +mp-1078398,CeAsO3,-7.836076696,-2.7496219573,0.1512474635,0.1512474635,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:As-Ce-O,10.0,ABC3_mP10_11_e_e_ef:As-Ce-O +mp-1195015,CeAsO3,-7.9090945042,-2.8226397655,0.0782296553,0.0782296553,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:As-Ce-O,40.0,ABC3_mP40_14_2e_2e_6e:As-Ce-O +mp-1080105,CeAsRuO,-8.2583722662,-2.0550475634,0.0,-0.1188263013,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ce-O-Ru,8.0,ABCD_tP8_129_c_c_a_b:As-Ce-O-Ru +mp-1021508,Ce(As3Ru)4,-6.30209922,-0.4820921509,0.0,-0.0268684434,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Ce-Ru,17.0,A12BC4_cI34_204_g_a_c:As-Ce-Ru +mp-23404,TlBrO4,-4.4560582742,-0.5056538872,0.0517453071,0.0517453071,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Br-O-Tl,24.0,AB4C_oP24_62_c_2cd_c:Br-O-Tl +mp-975179,RbTlO3,-4.426606022,-0.7899573514,0.3222652315,0.3222652315,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Tl,5.0,A3BC_cP5_221_c_a_b:O-Rb-Tl +mp-8176,RbTlO2,-4.63389536,-1.3247566996,0.0,-0.0454783355,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Tl,4.0,A2BC_hR12_166_c_a_b:O-Rb-Tl +mp-1179184,TlBrO3,-3.930654824,-0.1795073019,0.4893717312,0.4893717312,GGA,Cm,AB3C_mC10_8_a_ab_a:Br-O-Tl,5.0,AB3C_mC10_8_a_ab_a:Br-O-Tl +mp-29798,TlBrO3,-4.412738808,-0.6615912859,0.0072877472,0.0072877472,GGA,R3m,AB3C_hR15_160_a_b_a:Br-O-Tl,5.0,AB3C_hR15_160_a_b_a:Br-O-Tl +mp-1209177,RbTl3O5,-4.8496216514,-1.2049653104,0.0,-0.0024444042,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:O-Rb-Tl,36.0,A5BC3_oP36_62_5c_c_3c:O-Rb-Tl +mp-1197258,Rb21Tl7(Br21O4)2,-2.8217429642000003,-1.0021222322,0.4627650877,0.4627650877,GGA,I4/mmm,A42B8C21D7_tI156_139_egikl2m_n_bh2n_acf:Br-O-Rb-Tl,78.0,A42B8C21D7_tI156_139_egikl2m_n_bh2n_acf:Br-O-Rb-Tl +mp-1206230,RbTlO,-3.93439054,-1.1711018965,0.0,-0.1017945596,GGA,C2/m,ABC_mC12_12_i_i_i:O-Rb-Tl,6.0,ABC_mC12_12_i_i_i:O-Rb-Tl +mp-556433,Rb5Tl3O,-2.3399702517,-0.4580493057,0.0021669534,0.0021669534,GGA,Cmcm,AB5C3_oC72_63_2c_2f3g_2fg:O-Rb-Tl,36.0,"Invalid WP multiplicities - AB5C3_oC72_63_4c_7f12g_5f4g:O-Rb-Tl, expected Rb19Tl9O2 to be Rb5Tl3O" +mp-28380,Rb3TlO3,-4.2525825043,-1.3748237189,0.0,-0.1319945457,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:O-Rb-Tl,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_7e_5e_e:O-Rb-Tl, expected Rb5TlO7 to be Rb3TlO3" +mp-1205823,Ba2ScTaO6,-8.765689566,-3.5948566778,0.0,-0.0813538816,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sc-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sc-Ta +mp-867124,La2ZnIr,-5.484029925,-0.491481925,0.0790927625,0.0790927625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-La-Zn,4.0,AB2C_cF16_225_a_c_b:Ir-La-Zn +mp-6152,La2ZnIrO6,-7.6195671645,-2.6545347378,0.0296128964,0.0296128964,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ir-La-O-Zn,20.0,AB2C6D_mP20_14_a_e_3e_b:Ir-La-O-Zn +mp-1219452,ScTl2Mo15S19,-7.815169219599999,-0.9953028812,0.0078350945,0.0078350945,GGA,P2_1/m,A15B19CD2_mP74_11_3e6f_3e8f_e_f:Mo-S-Sc-Tl,74.0,"Invalid WP multiplicities - A15B19CD2_mP74_11_6e24f_6e26f_e_f:Mo-S-Sc-Tl, expected ScTl2(Mo27S29)2 to be ScTl2Mo15S19" +mp-13312,ScTlS2,-5.8611129675,-1.6191099711,0.0,-0.0432152638,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:S-Sc-Tl,8.0,A2BC_hP8_194_f_a_c:S-Sc-Tl +mp-1093767,Sc2TlMo,-3.875159745,2.5931481217,2.7320561131,2.7320561131,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Sc-Tl,4.0,AB2C_oI8_71_a_e_b:Mo-Sc-Tl +mp-1404740,CaFeF6,-5.6603889538,-2.9173270919,0.0196046833,0.0196046833,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-Fe,8.0,AB6C_hR24_148_a_f_b:Ca-F-Fe +mp-1211093,LiCaFeF6,-5.9680688344,-3.3176890831,0.0,-0.015998326,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Ca-F-Fe-Li,18.0,AB6CD_hP18_163_b_i_c_d:Ca-F-Fe-Li +mp-1400147,CaFeF4,-6.3727180458,-3.3524618858,0.0557571367,0.0557571367,GGA+U,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-Fe,12.0,AB4C_tI24_140_a_l_d:Ca-F-Fe +mp-542232,CaFeF5,-6.1915642393,-3.3297048211,0.0002905993,-0.0114998767,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Fe,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Fe +mp-1392416,CaFeF5,-6.1918548386,-3.3299954204,0.0,-0.011790476,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Fe,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Ca-F-Fe, expected CaFeF7 to be CaFeF5" +mp-1348193,CaFe2F10,-5.5532149331,-2.6254893965,0.0122455271,0.0122455271,GGA+U,Pc,AB10C2_mP26_7_a_10a_2a:Ca-F-Fe,26.0,"Invalid WP multiplicities - AB10C2_mP26_7_a_15a_3a:Ca-F-Fe, expected CaFe3F15 to be CaFe2F10" +mp-38685,CeSbO3,-7.464110035,-2.4836787293,0.4580750087,0.4580750087,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Ce-O-Sb,20.0,AB3C_cF80_227_c_f_d:Ce-O-Sb +mp-639904,Ce3MoO7,-9.1520340955,-3.4000578633,0.090615478,0.090615478,GGA+U,P2_12_12_1,A3BC7_oP44_19_3a_a_7a:Ce-Mo-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_19_10a_a_25a:Ce-Mo-O, expected Ce10MoO25 to be Ce3MoO7" +mp-510058,CeMo5O8,-8.929558975700001,-1.8056411618,0.3364705775,0.3364705775,GGA+U,P2_1/c,AB5C8_mP56_14_e_5e_8e:Ce-Mo-O,56.0,AB5C8_mP56_14_e_5e_8e:Ce-Mo-O +mp-1227172,Ce2(MoO4)3,-8.6871308459,-2.5834018356,0.0681703602,0.0681703602,GGA+U,C2/c,A2B3C12_mC68_15_f_ef_6f:Ce-Mo-O,34.0,"Invalid WP multiplicities - A2B3C12_mC68_15_f_2e3f_22f:Ce-Mo-O, expected Ce(Mo2O11)2 to be Ce2(MoO4)3" +mp-1197286,Ce9(SbO)5,-7.4656905595,-2.2669404463,0.0240024942,0.0240024942,GGA,P4/n,A9B5C5_tP38_85_c2g_cg_cg:Ce-O-Sb,38.0,A9B5C5_tP38_85_c2g_cg_cg:Ce-O-Sb +mp-559828,Ce2Mo4O15,-8.6552427612,-2.4909994555,0.0229792122,0.0229792122,GGA+U,P-1,A2B4C15_aP42_2_2i_4i_15i:Ce-Mo-O,42.0,"Invalid WP multiplicities - A2B4C15_aP42_2_4i_7i_30i:Ce-Mo-O, expected Ce4Mo7O30 to be Ce2Mo4O15" +mp-1204842,CeSbMo2O9,-8.2215064942,-2.3543073391,0.0369994175,0.0369994175,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:Ce-Mo-O-Sb,52.0,AB2C9D_mC104_15_2e_2f_9f_f:Ce-Mo-O-Sb +mp-685137,Ce2SbO2,-8.15088269,-2.9731712955000003,0.003646942,-0.0924335047,GGA,C2/m,A2B2C_mC10_12_i_h_a:Ce-O-Sb,5.0,A2B2C_mC10_12_i_h_a:Ce-O-Sb +mp-20356,Ce2SbO2,-8.154529632,-2.9768182375,0.0,-0.0960804467,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ce-O-Sb,5.0,A2B2C_tI10_139_e_d_a:Ce-O-Sb +mp-1213789,CeMoO2,-8.6350471287,-1.9670179569,0.9799655163,0.9799655163,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Ce-Mo-O,16.0,ABC2_tI32_141_c_d_h:Ce-Mo-O +mp-12703,PrZnNi,-4.3068345744,-0.3665725594,0.0,-0.0416710186,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Pr-Zn,9.0,ABC_hP9_189_ad_f_g:Ni-Pr-Zn +mp-1207591,YbEuCuS3,-6.4902473958,-1.7727196707,0.0366530942,0.0366530942,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Eu-S-Yb,,ABC3D_oC24_63_c_c_cf_a:Cu-Eu-S-Yb +mp-1194516,Yb2EuS4,-6.2583722325,-1.9895125429,0.1797992796,0.1797992796,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-S-Yb,,AB4C2_oP28_62_c_4c_2c:Eu-S-Yb +mp-676878,Yb2EuS4,-6.2405734314,-1.9717137418,0.1975980807,0.1975980807,GGA,I-42d,AB4C2_tI28_122_a_e_d:Eu-S-Yb,,AB4C2_tI28_122_a_e_d:Eu-S-Yb +mp-1045939,Ta2Zn2SnO8,-7.9308227696,-2.5601978446,0.0457291494,0.0457291494,GGA,C2/c,A8BC2D2_mC52_15_4f_e_f_f:O-Sn-Ta-Zn,26.0,"Invalid WP multiplicities - A8BC2D2_mC52_15_5f_e_f_f:O-Sn-Ta-Zn, expected Ta2Zn2SnO10 to be Ta2Zn2SnO8" +mp-1368521,TaZn2SnO6,-7.002001021,-2.1953041237,0.1757782111,0.1757782111,GGA,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sn-Ta-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e7f_a_c_3e:O-Sn-Ta-Zn, expected TaZn3SnO18 to be TaZn2SnO6" +mp-1215218,ZrMoC2,-9.81331763,-0.3506471987,0.0935774341,0.0935774341,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Mo-Zr,4.0,A2BC_hR12_166_c_a_b:C-Mo-Zr +mp-1215233,ZrNb3C4,-10.0312366687,-0.5604519537,0.0191787259,0.0191787259,GGA,R-3m,A4B3C_hR24_166_2c_ac_b:C-Nb-Zr,8.0,"Invalid WP multiplicities - A4B3C_hR24_166_4c_a2c_b:C-Nb-Zr, expected ZrNb5C8 to be ZrNb3C4" +mp-1220378,NbMo3C4,-9.8743810025,0.069733665,0.2578459541,0.2578459541,GGA,R-3m,A4B3C_hR24_166_2c_ac_b:C-Mo-Nb,8.0,"Invalid WP multiplicities - A4B3C_hR24_166_2c_a2c_b:C-Mo-Nb, expected NbMo5C4 to be NbMo3C4" +mp-1215358,Zr4MoC5,-9.722075165,-0.6040971558,0.0560152086,0.0560152086,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:C-Mo-Zr,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a3c_b_3c:C-Mo-Zr, expected Zr6MoC7 to be Zr4MoC5" +mp-1220685,Nb2Mo2C3,-10.0366698929,-0.0966832104,0.2368171682,0.2368171682,GGA,R-3m,A3B2C2_hR21_166_ac_c_c:C-Mo-Nb,7.0,"Invalid WP multiplicities - A3B2C2_hR21_166_a2c_c_c:C-Mo-Nb, expected Nb2Mo2C5 to be Nb2Mo2C3" +mp-1215635,Zr(NbMo)2,-10.056893934,0.031428252,0.11502549,0.11502549,GGA,Fmm2,A2B2C_oF20_42_2a_2a_a:Mo-Nb-Zr,5.0,A2B2C_oF20_42_2a_2a_a:Mo-Nb-Zr +mp-1215534,Zr2NbMoC4,-9.839518165,-0.4698908675,0.0822451708,0.0822451708,GGA,R3m,A4BCD2_hR24_160_4a_a_a_2a:C-Mo-Nb-Zr,8.0,A4BCD2_hR24_160_4a_a_a_2a:C-Mo-Nb-Zr +mp-1215222,ZrNbC2,-9.9366316075,-0.6600474438,0.0,-0.0084217266,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Nb-Zr,4.0,A2BC_hR12_166_c_a_b:C-Nb-Zr +mp-1215480,Zr3NbC4,-9.809044425,-0.7266608125,0.0053816688,0.0053816688,GGA,R-3m,A4BC3_hR24_166_2c_a_bc:C-Nb-Zr,8.0,"Invalid WP multiplicities - A4BC3_hR24_166_4c_a_b2c:C-Nb-Zr, expected Zr5NbC8 to be Zr3NbC4" +mp-1220406,NbMoC2,-9.970423075,-0.1193515412,0.17246129,0.17246129,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Mo-Nb,4.0,A2BC_hR12_166_c_a_b:C-Mo-Nb +mp-769253,Dy2SeO2,-7.972645612,-3.452073096,0.042297294,-0.0641217613,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Dy-O-Se,5.0,A2B2C_tI10_139_e_d_a:Dy-O-Se +mp-769284,Dy2SeO2,-8.014942906,-3.49437039,0.0,-0.1064190553,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Dy-O-Se,5.0,A2B2C_hP5_164_d_d_a:Dy-O-Se +mp-769213,Dy2(SeO4)3,-6.657586675,-2.006905931,0.0791513274,-0.1955280967,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Dy-O-Se,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_21f_e2f:Dy-O-Se, expected Dy2Se5O42 to be Dy2(SeO4)3" +mp-769232,Dy2(SeO4)3,-6.7367380024,-2.0860572584,0.0,-0.274679424,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Dy-O-Se,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c2d:Dy-O-Se, expected Dy(SeO7)3 to be Dy2(SeO4)3" +mp-558257,DySeClO3,-6.6224823233,-2.4905988048,0.0,-0.1353916625,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Dy-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_4c5d_c:Cl-Dy-O-Se, expected DySeClO14 to be DySeClO3" +mp-769393,DySeO3,-7.1167769105,-2.5282240202,0.0,-0.0032554081,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Dy-O-Se,40.0,"Invalid WP multiplicities - AB3C_mP40_14_3e_21e_3e:Dy-O-Se, expected DySeO7 to be DySeO3" +mp-984682,Ce2MgAl,-4.3974748725,-0.094466325,0.0890443533,0.0890443533,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ce-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Ce-Mg +mp-866517,Ce3MgAlS7,-6.3612866971,-2.0195973293,0.0065979896,0.0065979896,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Mg-S,24.0,"Invalid WP multiplicities - AB3CD7_hP24_173_b_c_a_2b4c:Al-Ce-Mg-S, expected Ce3MgAlS14 to be Ce3MgAlS7" +mp-1183866,Ce(Mg4Al3)4,-2.6952991993,-0.0579033402,0.0223993819,0.0223993819,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Ce-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a8b4c:Al-Ce-Mg, expected CeMg49Al48 to be Ce(Mg4Al3)4" +mp-1028332,CeMg14Al,-1.9878103988,0.0173512066,0.0822952714,0.0822952714,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Ce-Mg, expected CeMg18Al to be CeMg14Al" +mp-1028252,CeMg14Al,-1.9602179606,0.0449436447,0.1098877096,0.1098877096,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Ce-Mg, expected CeMg26Al to be CeMg14Al" +mp-1232202,Ce2MgS4,-6.3505038186,-2.0630384146,0.0794518243,0.0794518243,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Ce-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Ce-Mg-S +mp-1232186,Ce2MgS4,-6.2915715346,-2.0041061307,0.1383841082,0.1383841082,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Ce-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Ce-Mg-S +mp-1232223,Ce2MgS4,-6.3614422357,-2.0739768318,0.0685134071,0.0685134071,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ce-Mg-S,28.0,A2BC4_oP28_62_ac_c_2cd:Ce-Mg-S +mp-1232168,Ce2MgS4,-6.330429905,-2.0429645011,0.0995257379,0.0995257379,GGA,I-42d,A2BC4_tI28_122_d_a_e:Ce-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Ce-Mg-S +mp-1232246,Ce2MgS4,-6.3070919819,-2.0196265779,0.122863661,0.122863661,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ce-Mg-S,112.0,A2BC4_cF56_227_c_b_e:Ce-Mg-S +mp-1232197,CeMgS3,-5.633451321,-1.6449075599,0.2605954665,0.2605954665,GGA,C2/m,ABC3_mC20_12_i_g_ij:Ce-Mg-S,10.0,ABC3_mC20_12_i_g_ij:Ce-Mg-S +mp-1232253,CeMgS3,-5.8188483603000005,-1.8303045992,0.0751984272,0.0751984272,GGA,R-3,ABC3_hR30_148_c_c_f:Ce-Mg-S,30.0,ABC3_hR30_148_c_c_f:Ce-Mg-S +mp-1261437,CeMg6Al,-2.39989747,0.0101456906,0.1171397095,0.1171397095,GGA,Pm,ABC6_mP8_6_a_b_3a3b:Al-Ce-Mg,8.0,ABC6_mP8_6_a_b_3a3b:Al-Ce-Mg +mp-1023367,CeMg6Al,-2.3610552787,0.0489878819,0.1559819008,0.1559819008,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Ce-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Ce-Mg, expected CeMg12Al to be CeMg6Al" +mp-1099111,CeMg6Al,-2.3575719375,0.0524712231,0.159465242,0.159465242,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Ce-Mg,8.0,ABC6_oC16_38_a_a_2bde:Al-Ce-Mg +mp-1208756,Sr2TbTaO6,-8.5482559485,-3.5931296581,0.0,-0.0262283463,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-Ta-Tb,20.0,A6B2CD_mP20_14_3e_e_a_b:O-Sr-Ta-Tb +mp-1222583,LuTaTiO6,-9.6598307561,-3.6649027079,0.0068499128,0.0068499128,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Lu-O-Ta-Ti,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_24e_e_e:Lu-O-Ta-Ti, expected LuTaTiO24 to be LuTaTiO6" +mp-556712,Ga2BiS4,-4.6650840664,-0.8875868318000001,0.0,-0.0407725657,GGA,P4/nnc,AB2C4_tP28_126_e_cd_k:Bi-Ga-S,28.0,"Invalid WP multiplicities - AB2C4_tP28_126_e_3c4d_k:Bi-Ga-S, expected Ga7BiS4 to be Ga2BiS4" +mp-1224634,In9Ga3(BiS6)4,-4.5366216482,-0.8244667742,0.0008695972,0.0008695972,GGA,Pm,A4B3C9D24_mP40_6_2a2b_2ab_4a5b_12a12b:Bi-Ga-In-S,40.0,A4B3C9D24_mP40_6_2a2b_2ab_4a5b_12a12b:Bi-Ga-In-S +mp-556231,In2GaBiS6,-4.5539149715,-0.8348497901,0.0013019713,0.0013019713,GGA,P2_1/m,ABC2D6_mP20_11_e_e_2e_6e:Bi-Ga-In-S,20.0,"Invalid WP multiplicities - ABC2D6_mP20_11_e_e_2e_9e:Bi-Ga-In-S, expected In2GaBiS9 to be In2GaBiS6" +mp-1213041,GaBiS,-3.632397395,0.0359476115,0.6381105125000001,0.6381105125000001,GGA,I4/mcm,ABC_tI24_140_h_e_h:Bi-Ga-S,12.0,ABC_tI24_140_h_e_h:Bi-Ga-S +mp-1112418,K2SbAuBr6,-3.180702115,-1.2865170036,0.0648113056,0.0648113056,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Sb +mp-1112941,Cs2AgSbI6,-2.837829523,-1.0785735143,0.0278747781,0.0278747781,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Sb +mp-1205699,Ba2HoPaO6,-8.51873044,-3.7572148723,0.0,-0.11027229,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Pa +mp-1184810,Ho2Pa2O5,-8.5390501478,-2.6582067460000003,0.9275929865,0.9275929865,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ho-O-Pa,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ho-O-Pa, expected Ho2Pa2O9 to be Ho2Pa2O5" +mp-1223799,HoPaO4,-9.8426897967,-4.1953850675,0.0,-0.4762354776,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ho-O-Pa,6.0,AB4C_tP6_123_a_i_d:Ho-O-Pa +mp-675893,HoPaO4,-8.6584207742,-3.011116045,1.1842690225,0.7080335449,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Ho-O-Pa,12.0,AB4C_tI24_141_a_f_b:Ho-O-Pa +mp-1112149,Cs2NaInI6,-2.791816368,-1.3212951812,0.0452713207,0.0452713207,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Na +mp-28570,NaInI4,-2.7322369067,-1.0709578361,0.0,-0.0287230929,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:I-In-Na,24.0,A4BC_mP24_14_4e_e_e:I-In-Na +mp-727926,HgBrO4,-3.8868412779,-0.2795973546,0.0652480344,0.0652480344,GGA,Pbcm,ABC4_oP24_57_d_c_2de:Br-Hg-O,24.0,ABC4_oP24_57_d_c_2de:Br-Hg-O +mp-27994,HgBrO3,-3.7531694325,-0.4138144667,0.0,-0.0288832311,GGA,C2/c,ABC3_mC40_15_f_f_3f:Br-Hg-O,20.0,ABC3_mC40_15_f_f_3f:Br-Hg-O +mp-23543,Hg5(BrO2)2,-2.9290384018,-0.70983719,0.0,-0.0153648412,GGA,Ibam,A2B5C4_oI44_72_j_afj_k:Br-Hg-O,22.0,A2B5C4_oI44_72_j_afj_k:Br-Hg-O +mp-651839,Hg8Br3O4,-2.3151149702,-0.5234294532,0.116471938,0.1108255745,GGA,P2_1/c,A3B8C4_mP60_14_3e_8e_4e:Br-Hg-O,60.0,"Invalid WP multiplicities - A3B8C4_mP60_14_11e_28e_13e:Br-Hg-O, expected Hg28Br11O13 to be Hg8Br3O4" +mp-667387,Hg8Br3O4,-1.9907776022,-0.1990920852,0.440809306,0.4351629425,GGA,P2_1/c,A3B8C4_mP60_14_3e_8e_4e:Br-Hg-O,60.0,"Invalid WP multiplicities - A3B8C4_mP60_14_11e_28e_13e:Br-Hg-O, expected Hg28Br11O13 to be Hg8Br3O4" +mp-1182701,Hg8Br3O4,-2.0315005375,-0.2398150205,0.4000863707,0.3944400072,GGA,P2_1/c,A3B8C4_mP60_14_3e_8e_4e:Br-Hg-O,60.0,"Invalid WP multiplicities - A3B8C4_mP60_14_11e_28e_13e:Br-Hg-O, expected Hg28Br11O13 to be Hg8Br3O4" +mp-1205446,Hg8Br3O4,-2.4315869082,-0.6399013912,0.0,-0.0056463635,GGA,P2_1/c,A3B8C4_mP60_14_3e_8e_4e:Br-Hg-O,60.0,A3B8C4_mP60_14_3e_8e_4e:Br-Hg-O +mp-558945,Hg3AsBrO4,-4.0492391122,-1.0592454817,0.0169651107,0.0169651107,GGA,P2_13,ABC3D4_cP36_198_a_a_b_ab:As-Br-Hg-O,36.0,"Invalid WP multiplicities - ABC3D4_cP36_198_a_a_b_2a3b:As-Br-Hg-O, expected Hg3AsBrO11 to be Hg3AsBrO4" +mp-1200436,Hg(BrO4)2,-3.8850812084,0.0224866748,0.2635445676,0.2635445676,GGA,P2_12_12_1,A2BC8_oP44_19_2a_a_8a:Br-Hg-O,44.0,A2BC8_oP44_19_2a_a_8a:Br-Hg-O +mp-1301773,Zn2FeIrO6,-6.4096774655,-1.4588699777,0.075495641,0.075495641,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Fe-Ir-O-Zn,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_10e_e:Fe-Ir-O-Zn, expected Zn2FeIrO20 to be Zn2FeIrO6" +mp-1114162,Rb3AlI6,-2.892275443,-1.3395378283,0.0904458778,0.0904458778,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-I-Rb,10.0,AB6C3_cF40_225_a_e_bc:Al-I-Rb +mp-607829,AlTlI4,-3.0067145508,-1.0064338214,0.0,-0.0456738179,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Al-I-Tl,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_12e_e:Al-I-Tl, expected AlTlI12 to be AlTlI4" +mp-1114117,Rb2AlTlI6,-2.887774759,-1.1968262368,0.0955034895,0.0955034895,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-I-Rb-Tl +mp-1192242,Er3BeCrS7,-6.5170168942,-1.8461197414,0.0580395554,0.0580395554,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Er-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Er-S +mp-18420,Er3CrS6,-6.8376728023,-2.0201824921,0.0031674192,0.0031674192,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Er-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Er-S +mp-1225666,Er4CrS7,-6.79285261,-2.0529299618,0.0571885204,0.0571885204,GGA,Cm,AB4C7_mC24_8_a_4a_7a:Cr-Er-S,12.0,AB4C7_mC24_8_a_4a_7a:Cr-Er-S +mp-21707,Er2CrS4,-6.9256811125,-1.8779261757,0.0490737399,0.0490737399,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Cr-Er-S,56.0,AB2C4_oP56_29_2a_4a_8a:Cr-Er-S +mp-1112421,K2PrAuCl6,-4.106549379,-1.9698688181,0.1786408362,0.1786408362,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Pr +mp-673669,In4(SnO4)3,-6.3475693,-2.01095272,0.03921778,0.03921778,GGA,P1,A4B12C3_aP38_1_8a_24a_6a:In-O-Sn,38.0,A4B12C3_aP38_1_8a_24a_6a:In-O-Sn +mp-1223964,In4(SnO4)3,-6.3471051295,-2.0104885495,0.0396819505,0.0396819505,GGA,P1,A4B12C3_aP19_1_4a_12a_3a:In-O-Sn,19.0,A4B12C3_aP19_1_4a_12a_3a:In-O-Sn +mp-676320,In4(SnO4)3,-6.3478771129,-2.0112605329,0.0389099671,0.0389099671,GGA,P-1,A4B12C3_aP38_2_4i_12i_3i:In-O-Sn,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_8i_24i_5i:In-O-Sn, expected In8Sn5O24 to be In4(SnO4)3" +mp-1096249,InGa2Sn,-2.0049304825,1.199431425,1.199431425,1.199431425,GGA,Immm,A2BC_oI8_71_e_a_b:Ga-In-Sn,4.0,A2BC_oI8_71_e_a_b:Ga-In-Sn +mp-755027,In2Sn2O7,-6.3428056677,-1.9655936542,0.0925077141,0.0925077141,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:In-O-Sn,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:In-O-Sn, expected InSnO10 to be In2Sn2O7" +mp-1093652,In2GaSn,-1.9443114925,1.1909473419,1.1909473419,1.1909473419,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-In-Sn,4.0,AB2C_oI8_71_a_e_b:Ga-In-Sn +mp-766006,In15SnO24,-6.0975374805,-1.9974035586,0.0016321655,-0.0045447369,GGA,C2,A15B24C_mC80_5_a2b6c_12c_a:In-O-Sn,40.0,"Invalid WP multiplicities - A15B24C_mC80_5_a2b9c_24c_a:In-O-Sn, expected In21SnO48 to be In15SnO24" +mp-867998,In15SnO24,-6.099169646,-1.9990357241,0.0,-0.0061769024,GGA,R-3,A15B24C_hR120_148_d2f_4f_b:In-O-Sn,40.0,"Invalid WP multiplicities - A15B24C_hR120_148_3d10f_22f_b:In-O-Sn, expected In69SnO132 to be In15SnO24" +mp-1184243,GaSnO3,-5.893821714,-1.5182749118,0.5757749151,0.5757749151,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Sn,5.0,AB3C_cP5_221_b_c_a:Ga-O-Sn +mp-1212081,InGaSnO5,-6.4359172897,-2.1205678942,0.0036768106,0.0036768106,GGA,P2/m,ABC5D_mP32_10_mn_mn_5m5n_acn:Ga-In-O-Sn,32.0,ABC5D_mP32_10_mn_mn_5m5n_acn:Ga-In-O-Sn +mp-572722,Cs11Rb7O3,-2.0253927911,-0.5228579942,0.0077115819,0.0077115819,GGA,P2_12_12_1,A11B3C7_oP84_19_11a_3a_7a:Cs-O-Rb,84.0,"Invalid WP multiplicities - A11B3C7_oP84_19_39a_7a_27a:Cs-O-Rb, expected Cs39Rb27O7 to be Cs11Rb7O3" +mp-1026731,CsRbMg14,-1.3070656075,0.210425464,0.2211346029,0.2211346029,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Rb, expected CsRbMg18 to be CsRbMg14" +mp-1026639,CsRbMg14,-1.2516622944,0.2658287772,0.276537916,0.276537916,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Rb, expected CsRbMg26 to be CsRbMg14" +mp-1040252,CsRbMg30O31,-5.9761235076,-2.7502236982,0.2139185581,0.2139185581,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i_b:Cs-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i_b:Cs-Mg-O-Rb, expected CsRbMg38O39 to be CsRbMg30O31" +mp-1039828,CsRbMg30O31,-5.971918401,-2.7460185915,0.2181236648,0.2181236648,GGA,Pmm2,AB30C31D_oP63_25_a_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i_d:Cs-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i_d:Cs-Mg-O-Rb, expected CsRbMg38O39 to be CsRbMg30O31" +mp-1033833,CsRbMg6O7,-5.0734959893,-1.9998668078,0.6766017107,0.6766017107,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_a2b2c_a:Cs-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_a2b4c_a:Cs-Mg-O-Rb, expected CsRbMg10O11 to be CsRbMg6O7" +mp-1033650,CsRbMg6O7,-5.0671914973,-1.9935623158,0.6829062027,0.6829062027,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_2ab2c_b:Cs-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_2ab4c_b:Cs-Mg-O-Rb, expected CsRbMg10O11 to be CsRbMg6O7" +mp-1183926,CsRbO3,-3.76243748,-0.4192369643,0.6626322920000001,0.6626322920000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cs-O-Rb,5.0,AB3C_cP5_221_b_c_a:Cs-O-Rb +mp-1098082,CsRbMg6,-1.1638532388,0.2708488543,0.2800281162,0.2800281162,GGA,Pm,AB6C_mP8_6_a_2a4b_a:Cs-Mg-Rb,8.0,AB6C_mP8_6_a_2a4b_a:Cs-Mg-Rb +mp-1017323,CsRbMg6,-1.107652855,0.3270492381,0.3362284999,0.3362284999,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Rb, expected CsRbMg12 to be CsRbMg6" +mp-1100149,CsRbMg6,-1.1593475937,0.2753544993,0.2845337612,0.2845337612,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-Rb +mp-754171,CsRbO,-3.3710487183,-1.0968403331,0.0644829567,0.0644829567,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-O-Rb,12.0,ABC_oP12_62_c_c_c:Cs-O-Rb +mp-1098090,CsRbMg14O15,-5.6372209881,-2.460440736,0.4109035404,0.4109035404,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Cs-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Cs-Mg-O-Rb +mp-1099229,CsRbMg14O15,-5.724495519,-2.547715267,0.3236290094,0.3236290094,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Cs-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Cs-Mg-O-Rb +mp-1099231,CsRbMg14O15,-5.74126548,-2.564485228,0.3068590484,0.3068590484,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Cs-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Cs-Mg-O-Rb +mp-554796,BaSc3AgS6,-6.4237890702,-2.0085493012,0.0,-0.0435876877,GGA,Pnma,ABC6D3_oP88_62_2c_d_4c4d_2c2d:Ag-Ba-S-Sc,88.0,"Invalid WP multiplicities - ABC6D3_oP88_62_5c_d_16c27d_8c12d:Ag-Ba-S-Sc, expected Ba2Sc32(AgS14)5 to be BaSc3AgS6" +mp-29682,BaAg8S5,-3.7604654093,-0.5274888164,0.0004014621,0.0004014621,GGA,P2_1/m,A8BC5_mP56_11_ad7f_2e_2e4f:Ag-Ba-S,56.0,"Invalid WP multiplicities - A8BC5_mP56_11_ac10f_2e_2e5f:Ag-Ba-S, expected BaAg11S6 to be BaAg8S5" +mp-1094066,ScAgS2,-5.829805385,-1.4703241745,0.0,-0.0008492797,GGA,R3m,AB2C_hR12_160_a_2a_a:Ag-S-Sc,4.0,AB2C_hR12_160_a_2a_a:Ag-S-Sc +mp-1228614,Ba2Ag8S7,-4.0087794706,-0.7468061191,0.0,-0.00263084,GGA,Pmn2_1,A8B2C7_oP34_31_2a3b_b_3a2b:Ag-Ba-S,34.0,A8B2C7_oP34_31_2a3b_b_3a2b:Ag-Ba-S +mp-8579,Ba(AgS)2,-4.23965019,-1.0682528539,0.000282085,0.000282085,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Ag-Ba-S,5.0,A2BC2_hP5_164_d_a_d:Ag-Ba-S +mp-1207179,SmSbO3,-6.755500734,-2.0179700323,0.860086121,0.860086121,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sb-Sm,5.0,A3BC_cP5_221_c_b_a:O-Sb-Sm +mp-1191597,Sm3SbO7,-8.16285154,-3.3527078469,0.0001782259,-0.0554701308,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Sb-Sm,22.0,A7BC3_oC44_63_3ch_a_bg:O-Sb-Sm +mp-1191139,Sm3SbO7,-8.1630297659,-3.3528860728,0.0,-0.0556483567,GGA,Cmcm,A7BC3_oC44_63_3ch_a_bg:O-Sb-Sm,22.0,A7BC3_oC44_63_3ch_a_bg:O-Sb-Sm +mp-3154,Sm3Sb5O12,-7.3382757342,-2.6302242772,0.0,-0.0559282379,GGA,I-43m,A12B5C3_cI80_217_2g_ce_d:O-Sb-Sm,40.0,A12B5C3_cI80_217_2g_ce_d:O-Sb-Sm +mp-13196,SmSbO4,-7.5983963133,-2.8260059433,0.0,-0.1114584186,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Sb-Sm,24.0,A4BC_mP24_14_4e_e_e:O-Sb-Sm +mp-983597,Sm3SbO3,-7.8267378286,-3.0946198602,0.0264509002,0.0264509002,GGA,C2/m,A3BC3_mC28_12_3i_i_3i:O-Sb-Sm,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_5i_i_5i:O-Sb-Sm, expected Sm5SbO5 to be Sm3SbO3" +mp-1018781,Li3SmSb2,-4.01632247,-0.8990962675,0.0,-0.0235257333,GGA,P-3m1,A3B2C_hP6_164_ad_d_b:Li-Sb-Sm,6.0,A3B2C_hP6_164_ad_d_b:Li-Sb-Sm +mp-561233,Sm9(SbO)5,-7.0152532918,-2.3917940828,0.0,-0.0190477625,GGA,P4/n,A5B5C9_tP38_85_cg_cg_c2g:O-Sb-Sm,38.0,"Invalid WP multiplicities - A5B5C9_tP38_85_2c3g_2c3g_2c13g:O-Sb-Sm, expected Sm27(SbO)7 to be Sm9(SbO)5" +mp-1219180,Sm2SbO2,-7.652265892,-2.9603557055,0.0,-0.0329477766,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Sb-Sm,5.0,A2BC2_tI10_139_d_a_e:O-Sb-Sm +mp-774794,Li5Sm3(SbO6)2,-6.9045210999,-2.7536738384,0.0250630113,0.0250630113,GGA,P1,A5B12C2D3_aP88_1_20a_48a_8a_12a:Li-O-Sb-Sm,88.0,A5B12C2D3_aP88_1_20a_48a_8a_12a:Li-O-Sb-Sm +mp-15016,Nd4Si2Se3O7,-7.8700528845,-3.1801915594,0.0003362222,0.0003362222,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Nd-O-Se-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Nd-O-Se-Si +mp-18466,Nd2SiSeO4,-8.1618069578,-3.3812720556,0.0,-0.0226434242,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Nd-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Nd-O-Se-Si +mp-10410,Ba4Sm2Cd3S10,-5.11146745,-1.8879811353,0.0144399003,0.0144399003,GGA,Cmc2_1,A4B3C10D2_oC76_36_4a_3a_10a_2a:Ba-Cd-S-Sm,38.0,A4B3C10D2_oC76_36_4a_3a_10a_2a:Ba-Cd-S-Sm +mp-18309,Ba2CdS3,-4.7179591417,-1.8562609349,0.0,-0.0082882192,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Cd-S,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_2c_c_4c:Ba-Cd-S, expected Ba2CdS4 to be Ba2CdS3" +mp-8885,BaCdS2,-4.3717848431,-1.5930937347,0.02006193,0.02006193,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ba-Cd-S,16.0,ABC2_oP16_62_c_c_2c:Ba-Cd-S +mp-37183,Sr(GdS2)2,-8.9886198836,-2.3618288263,0.0235246954,0.0235246954,GGA,I-42d,A2B4C_tI28_122_d_e_a:Gd-S-Sr,14.0,A2B4C_tI28_122_d_e_a:Gd-S-Sr +mp-1192362,SrGdCuS3,-7.31976267,-1.9407340093,0.0,-0.0495503854,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Gd-S-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Gd-S-Sr +mp-1072327,Sr2GdS3,-7.1566897267,-2.1792799355,0.1882070017,0.1882070017,GGA,P4/mmm,AB3C2_tP6_123_a_cg_h:Gd-S-Sr,6.0,AB3C2_tP6_123_a_cg_h:Gd-S-Sr +mp-1217170,Ti3As2POs3,-8.4502058489,-0.4390816648,0.2469764815,0.2469764815,GGA,P-62m,A2B3CD3_hP9_189_c_f_b_g:As-Os-P-Ti,9.0,A2B3CD3_hP9_189_c_f_b_g:As-Os-P-Ti +mp-1217114,Ti2AsP,-7.4571505625,-0.9912993262,0.0597122619,0.0597122619,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:As-P-Ti,8.0,ABC2_hP8_194_a_c_f:As-P-Ti +mp-1228801,AsPOs,-7.42350664,-0.3235771928,0.0462670525,0.0462670525,GGA,P2/m,ABC_mP6_10_m_ce_n:As-Os-P,6.0,ABC_mP6_10_m_ae_n:As-Os-P +mp-1095128,TiPOs,-9.0100583311,-0.83133768,0.0,-0.0434072753,GGA,P-62m,ABC_hP9_189_f_bc_g:Os-P-Ti,9.0,ABC_hP9_189_f_bc_g:Os-P-Ti +mp-12558,LiMgAs,-3.4672882333,-0.7445144594,0.0,-0.0802761167,GGA,F-43m,ABC_cF12_216_c_a_b:As-Li-Mg,3.0,ABC_cF12_216_c_a_b:As-Li-Mg +mp-8870,LiMgAsO4,-6.3788588375,-2.385276528,0.0014707404,0.0014707404,GGA,Pnma,ABCD4_oP28_62_c_a_c_2cd:As-Li-Mg-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_a_c_5c3d:As-Li-Mg-O, expected LiMgAsO11 to be LiMgAsO4" +mp-1233377,Gd6MgIn2O12,-10.382030931,-3.1953335269,0.1966727697,0.1966727697,GGA,P1,A6B2CD12_aP21_1_6a_2a_a_12a:Gd-In-Mg-O,21.0,A6B2CD12_aP21_1_6a_2a_a_12a:Gd-In-Mg-O +mp-1101056,GdMgIn,-6.5412328333000005,-0.3985374933,0.0,-0.071204518,GGA,P-62m,ABC_hP9_189_f_ad_g:Gd-In-Mg,9.0,ABC_hP9_189_f_ad_g:Gd-In-Mg +mp-1184317,Gd2Mg2O5,-9.4216532611,-3.1898479126,0.3320450917,0.3320450917,GGA,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Gd-Mg-O,9.0,A2B2C5_tP9_123_ab_h_ci:Gd-Mg-O +mp-864748,Gd2MgIn,-8.4659331175,-0.3398810525,0.0,-0.0193600958,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-In-Mg,4.0,A2BC_cF16_225_c_a_b:Gd-In-Mg +mp-1203622,Li2TeMoO6,-6.764699143,-2.0160057426,0.0243152866,0.0243152866,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Li-Mo-O-Te,40.0,A2BC6D_mP40_14_2e_e_6e_e:Li-Mo-O-Te +mp-2874,In2Si2O7,-7.3206580418,-2.6860376328,0.0046284018,0.0046284018,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:In-O-Si,11.0,A2B7C2_mC22_12_h_aij_i:In-O-Si +mp-19784,In2Si2O7,-7.1940613941,-2.5594409851,0.1312250495,0.1312250495,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:In-O-Si,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_a2f_d:In-O-Si, expected In2Si2O13 to be In2Si2O7" +mp-542840,In2Si2Pb2O9,-6.9555335737,-2.4022338363,0.0,-0.0051650062,GGA,Pna2_1,A2B9C2D2_oP60_33_2a_9a_2a_2a:In-O-Pb-Si,60.0,A2B9C2D2_oP60_33_2a_9a_2a_2a:In-O-Pb-Si +mp-1184751,InSiO3,-6.668208518,-2.0647949393,0.5619665707,0.5619665707,GGA,Pm-3m,AB3C_cP5_221_a_c_b:In-O-Si,5.0,AB3C_cP5_221_a_c_b:In-O-Si +mp-1247102,Mg2Cr3NiS8,-6.1619178571,-1.0882437054,0.049793118,0.049793118,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Mg-Ni-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c2h:Cr-Mg-Ni-S, expected Mg2Cr3NiS16 to be Mg2Cr3NiS8" +mp-1247174,Mg2CrNi3S8,-5.3923314114,-0.8719302296,0.131231067,0.131231067,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Cr-Mg-Ni-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c3h:Cr-Mg-Ni-S, expected Mg2CrNi3S22 to be Mg2CrNi3S8" +mp-1021869,Mg6CrNi,-2.9621641881,0.1671938681,0.2428082384,0.2428082384,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Ni, expected Mg12CrNi to be Mg6CrNi" +mp-1021878,Mg6CrNi,-2.9684642237,0.1608938325,0.2365082027,0.2365082027,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Ni, expected Mg12CrNi to be Mg6CrNi" +mp-1028347,Mg14CrNi,-2.2779832194000003,0.0868358338,0.1353222737,0.1353222737,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Ni, expected Mg18CrNi to be Mg14CrNi" +mp-1028345,Mg14CrNi,-2.2704810119,0.0943380413,0.1428244812,0.1428244812,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Ni, expected Mg26CrNi to be Mg14CrNi" +mp-1272324,Ta2CrO6,-10.0508463153,-3.0454313156,0.0021865381,-0.0050327512,GGA+U,P-1,AB6C2_aP36_2_acfh_12i_4i:Cr-O-Ta,36.0,"Invalid WP multiplicities - AB6C2_aP36_2_acfh_24i_8i:Cr-O-Ta, expected Ta4CrO12 to be Ta2CrO6" +mp-1278711,Ta2CrO6,-10.02833685,-3.0229218503,0.0246960033,0.0174767141,GGA+U,C2/m,AB6C2_mC36_12_ad_g3ij_2i:Cr-O-Ta,18.0,"Invalid WP multiplicities - AB6C2_mC36_12_ac_g5ij_4i:Cr-O-Ta, expected Ta4CrO8 to be Ta2CrO6" +mp-31629,Ta2CrO6,-10.0530328533,-3.0476178536,0.0,-0.0072192893,GGA+U,P2_1/c,AB6C2_mP18_14_a_3e_e:Cr-O-Ta,36.0,AB6C2_mP18_14_a_3e_e:Cr-O-Ta +mp-21512,Ta2CrO6,-10.0396480203,-3.0342330206,0.0133848331,0.0061655438,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Cr-O-Ta,36.0,AB6C2_tP18_136_a_fj_e:Cr-O-Ta +mp-1281162,Ba3Cr2O8,-7.6024215223,-2.6303807954,0.0,-0.0225771427,GGA+U,P1,A3B2C8_aP26_1_6a_4a_16a:Ba-Cr-O,26.0,A3B2C8_aP26_1_6a_4a_16a:Ba-Cr-O +mp-18913,Ba3Cr2O8,-7.6006297908,-2.6285890638,0.0017917315,-0.0207854112,GGA+U,R-3m,A3B2C8_hR39_166_ac_c_ch:Ba-Cr-O,13.0,A3B2C8_hR39_166_ac_c_ch:Ba-Cr-O +mp-1274900,Ba3Cr2O8,-7.6014542946,-2.6294135677,0.0009672277,-0.021609915,GGA+U,C2,A3B2C8_mC26_5_ac_c_4c:Ba-Cr-O,13.0,A3B2C8_hR39_166_ac_c_ch:Ba-Cr-O +mp-2222050,Ba3Cr2O8,-7.5933150408,-2.6212743138,0.0091064815,-0.0134706612,GGA+U,Cm,A3B2C8_mC26_8_3a_2a_4a2b:Ba-Cr-O,13.0,A3B2C8_aP13_1_3a_2a_8a:Ba-Cr-O +mp-1281606,Ba3Cr2O8,-7.6021473258,-2.6301065988,0.0002741965,-0.0223029462,GGA+U,Cc,A3B2C8_mC52_9_3a_2a_8a:Ba-Cr-O,26.0,"Invalid WP multiplicities - A3B2C8_mC52_9_3a_4a_11a:Ba-Cr-O, expected Ba3Cr4O11 to be Ba3Cr2O8" +mp-1272351,Ba3Cr2O8,-7.6014084592,-2.6293677323,0.0010130631,-0.0215640796,GGA+U,P2_1/m,A3B2C8_mP26_11_3e_2e_4e2f:Ba-Cr-O,26.0,"Invalid WP multiplicities - A3B2C8_mP26_11_4e_2e_7e8f:Ba-Cr-O, expected Ba4Cr2O23 to be Ba3Cr2O8" +mp-1173149,Ta8Cr3O24,-10.0055711263,-3.0758027686,0.0533207149,0.0533207149,GGA+U,Pmm2,A3B24C8_oP35_25_abc_3e3f3g3h_2a2b2c2d:Cr-O-Ta,35.0,"Invalid WP multiplicities - A3B24C8_oP35_25_abc_6e5f6g6h_2a2b2c2d:Cr-O-Ta, expected Ta8Cr3O46 to be Ta8Cr3O24" +mp-863412,Ta8Cr3O24,-9.9745954817,-3.044827124,0.0842963594,0.0842963594,GGA+U,Imm2,A3B24C8_oI70_44_2ab_6c6d_3a5b:Cr-O-Ta,35.0,"Invalid WP multiplicities - A3B24C8_oI70_44_2ab_10c12d_3a5b:Cr-O-Ta, expected Ta8Cr3O44 to be Ta8Cr3O24" +mp-1048371,BaCr4O7,-8.2603658233,-1.9972003401,0.5080576152,0.5080576152,GGA+U,P6_3mc,AB4C7_hP24_186_b_ac_a2c:Ba-Cr-O,24.0,AB4C7_hP24_186_b_ac_a2c:Ba-Cr-O +mp-31630,Ba2TaCrO6,-8.6724793087,-3.169588584,0.0,-0.041280289,GGA+U,P6_3/mmc,A2BC6D_hP40_194_acf_e_ghk_f:Ba-Cr-O-Ta,40.0,"Invalid WP multiplicities - A2BC6D_hP40_194_2acf_e_3g3hk_f:Ba-Cr-O-Ta, expected Ba5Ta2Cr2O24 to be Ba2TaCrO6" +mp-1190531,Ba5Cr5O14,-7.9208853817,-2.6244789647,0.0240765629,0.0240765629,GGA+U,P-3m1,A5B5C14_hP24_164_a2d_bcd_d2i:Ba-Cr-O,24.0,A5B5C14_hP24_164_a2d_bcd_d2i:Ba-Cr-O +mp-561426,Ba2CrO4,-7.4863908036,-2.7324262043000003,0.0001949221,-0.0278154091,GGA+U,Pna2_1,A2BC4_oP28_33_2a_a_4a:Ba-Cr-O,28.0,A2BC4_oP28_33_2a_a_4a:Ba-Cr-O +mp-17520,Ba2CrO4,-7.4865857257,-2.7326211264,0.0,-0.0280103312,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Ba-Cr-O,28.0,A2BC4_oP28_62_2c_c_2cd:Ba-Cr-O +mp-572430,BaCr2O7,-7.691524560399999,-2.1063354745,0.0,-0.0057695392,GGA+U,C2/c,AB2C7_mC160_15_2ef_4f_14f:Ba-Cr-O,80.0,AB2C7_mC160_15_2ef_4f_14f:Ba-Cr-O +mp-19500,BaCr10O15,-8.9673458267,-2.326969661,0.0433294698,0.0433294698,GGA+U,Cmce,AB10C15_oC104_64_a_f2g_bdef2g:Ba-Cr-O,52.0,"Invalid WP multiplicities - AB10C15_oC104_64_a_f2g_bdef3g:Ba-Cr-O, expected BaCr10O19 to be BaCr10O15" +mp-19197,Ba3CrO5,-7.21140494,-2.7510254015,0.0019641089,0.0019641089,GGA+U,I4/mcm,A3BC5_tI36_140_ah_b_cl:Ba-Cr-O,18.0,A3BC5_tI36_140_ah_b_cl:Ba-Cr-O +mp-1041288,BaCr4O8,-8.1767786946,-2.0148806554,0.4240824688,0.4240824688,GGA+U,P-31m,AB4C8_hP13_162_a_h_ck:Ba-Cr-O,13.0,AB4C8_hP13_162_a_h_ck:Ba-Cr-O +mp-1228860,Ba4Cr13O28,-8.3679744002,-2.3308010494,0.1112580937,0.1112580937,GGA+U,Pm,A4B13C28_mP45_6_2a2b_4a5b2c_6a6b8c:Ba-Cr-O,45.0,"Invalid WP multiplicities - A4B13C28_mP45_6_2a2b_4a5b4c_6a6b16c:Ba-Cr-O, expected Ba4Cr17O44 to be Ba4Cr13O28" +mp-27188,Ba2Cr7O14,-8.5345571383,-2.4187778284,0.0452635103,0.0452635103,GGA+U,R-3m,A2B7C14_hR69_166_c_2cd_c2h:Ba-Cr-O,23.0,A2B7C14_hR69_166_c_2cd_c2h:Ba-Cr-O +mp-1048539,Ba2Cr3O7,-7.7571311425,-2.1384717034,0.4725001513,0.4725001513,GGA+U,Pmm2,A2B3C7_oP12_25_e_bf_ae2f:Ba-Cr-O,12.0,A2B3C7_oP12_25_e_bf_ae2f:Ba-Cr-O +mp-1048124,Ba2Cr3O8,-7.7628237231,-2.19585434,0.3425640706,0.3425640706,GGA+U,P4/mmm,A2B3C8_tP13_123_h_ag_fgi:Ba-Cr-O,13.0,"Invalid WP multiplicities - A2B3C8_tP13_123_h_a2g_2f2g2i:Ba-Cr-O, expected Ba2Cr5O16 to be Ba2Cr3O8" +mp-541137,BaCr2O4,-8.4625949232,-2.6037628196,0.0,-0.1058609004,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Ba-Cr-O,28.0,AB2C4_oP28_59_ab_ce_2eg:Ba-Cr-O +mp-1190622,BaCrO4,-7.6572948933,-2.4308320175,0.0313512492,-0.1281210921,GGA+U,P2_12_12_1,ABC4_oP24_19_a_a_4a:Ba-Cr-O,24.0,ABC4_oP24_19_a_a_4a:Ba-Cr-O +mp-18571,BaCrO4,-7.6886461425,-2.4621832667,0.0,-0.1594723413,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Ba-Cr-O,24.0,ABC4_oP24_62_c_c_2cd:Ba-Cr-O +mp-1046486,Ta2CrO8,-9.0220620091,-2.39096088,0.2988504793,0.2988504793,GGA+U,C2/c,AB8C2_mC44_15_e_4f_f:Cr-O-Ta,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_5f_f:Cr-O-Ta, expected Ta2CrO10 to be Ta2CrO8" +mp-557081,BaCrO3,-7.8218301583,-2.5394124495,0.0816520543,0.0816520543,GGA+U,P6_3/mmc,ABC3_hP70_194_ce2f_ae2f_h3k:Ba-Cr-O,70.0,"Invalid WP multiplicities - ABC3_hP70_194_2c3e6f_2a3e5f_4h24k:Ba-Cr-O, expected Ba10Cr9O78 to be BaCrO3" +mp-19271,BaCrO3,-7.608645989,-2.3262282802,0.2948362236,0.2948362236,GGA+U,P6_3/mmc,ABC3_hP20_194_ac_f_gh:Ba-Cr-O,20.0,ABC3_hP20_194_ac_f_gh:Ba-Cr-O +mp-540926,BaCrO3,-7.819695598,-2.5372778892,0.0837866146,0.0837866146,GGA+U,P6_3/mmc,ABC3_hP30_194_bf_af_hk:Ba-Cr-O,30.0,ABC3_hP30_194_bf_af_hk:Ba-Cr-O +mp-752403,TaCrO4,-9.7582775363,-2.8753475454,0.0729883579,0.0573291983,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Cr-O-Ta,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Cr-O-Ta, expected TaCrO10 to be TaCrO4" +mp-756340,TaCrO4,-9.8080190717,-2.9250890808000003,0.0232468225,0.0075876629,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Cr-O-Ta,12.0,AB4C_oC12_65_a_gj_c:Cr-O-Ta +mp-753467,TaCrO4,-9.8312658942,-2.9483359033000003,0.0,-0.0156591596,GGA+U,I4_1md,AB4C_tI24_109_a_2b_a:Cr-O-Ta,12.0,"Invalid WP multiplicities - AB4C_tI24_109_a_8b_a:Cr-O-Ta, expected TaCrO16 to be TaCrO4" +mp-754112,CeBrO,-7.4019353283,-3.2576665963,0.0,-0.1292787537,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Ce-O,6.0,ABC_tP6_129_c_c_a:Br-Ce-O +mp-755464,CeBrO,-7.3762200467,-3.2319513146,0.0257152817,-0.1035634721,GGA,R-3m,ABC_hR18_166_c_c_c:Br-Ce-O,6.0,ABC_hR18_166_c_c_c:Br-Ce-O +mp-1194116,CeMoBrO4,-8.0412311336,-2.5957279279,0.0311733111,0.0311733111,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Br-Ce-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_8e:Br-Ce-Mo-O, expected CeMoBrO8 to be CeMoBrO4" +mp-1182278,CeBr3O7,-4.8666679827,-0.7558502442,0.4746613334,0.4746613334,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Br-Ce-O,22.0,A3BC7_aP22_2_3i_i_7i:Br-Ce-O +mp-1191892,CeBr3O7,-4.8826819218,-0.7718641833000001,0.4586473943,0.4586473943,GGA,P-1,A3BC7_aP22_2_3i_i_7i:Br-Ce-O,22.0,A3BC7_aP22_2_3i_i_7i:Br-Ce-O +mp-1038366,HfMg30BiO32,-6.3078550164,-2.8687906661,0.1828405163,0.1828405163,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Hf-Mg-O, expected HfMg110BiO72 to be HfMg30BiO32" +mp-1038357,HfMg30BiO32,-6.3088700923,-2.869805742,0.1818254404,0.1818254404,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Hf-Mg-O, expected HfMg90BiO80 to be HfMg30BiO32" +mp-1033211,HfMg6BiO8,-6.298059445,-2.3622551856,0.6821486458,0.6821486458,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Hf-Mg-O, expected HfMg6BiO12 to be HfMg6BiO8" +mp-1033246,HfMg6BiO8,-6.3552338875,-2.4194296281,0.6249742033,0.6249742033,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Hf-Mg-O, expected HfMg6BiO12 to be HfMg6BiO8" +mp-1033793,HfMg14BiO16,-6.2970933097,-2.6924489897,0.3567730757,0.3567730757,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Hf-Mg-O, expected HfMg18BiO20 to be HfMg14BiO16" +mp-1033648,HfMg14BiO16,-6.2923570681,-2.6877127481,0.3615093173,0.3615093173,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Hf-Mg-O, expected HfMg30BiO32 to be HfMg14BiO16" +mp-1017152,HfMg6Bi,-2.8851807812,0.0397390263,0.1212542961,0.1212542961,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Hf-Mg, expected HfMg12Bi to be HfMg6Bi" +mp-1017155,HfMg6Bi,-2.8827454094,0.0421743981,0.123689668,0.123689668,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Hf-Mg, expected HfMg12Bi to be HfMg6Bi" +mp-1026406,HfMg14Bi,-2.2514289556,0.0111709731,0.0642205174,0.0642205174,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Hf-Mg, expected HfMg18Bi to be HfMg14Bi" +mp-1026402,HfMg14Bi,-2.2418735456,0.0207263831,0.0737759274,0.0737759274,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Hf-Mg, expected HfMg26Bi to be HfMg14Bi" +mp-756683,HfBiO4,-8.326054245,-2.7286487442,0.0202445654,0.0202445654,GGA,P-1,ABC4_aP24_2_2i_2i_8i:Bi-Hf-O,24.0,"Invalid WP multiplicities - ABC4_aP24_2_3i_3i_15i:Bi-Hf-O, expected HfBiO5 to be HfBiO4" +mp-1213999,CaCoGeO4,-7.1373191211,-2.3482190675,0.0,-0.0162533362,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:Ca-Co-Ge-O,28.0,ABCD4_oP28_62_c_a_c_2cd:Ca-Co-Ge-O +mp-1516830,CaCo(GeO3)4,-6.5350640261,-1.7036032689,0.2969861903,0.2969861903,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Co-Ge-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Co-Ge-O, expected CaCo(Ge2O9)2 to be CaCo(GeO3)4" +mp-4259,Ca(CoGe)2,-5.567368588,-0.473710352,0.0,-0.1192269985,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Co-Ge,5.0,AB2C2_tI10_139_a_d_e:Ca-Co-Ge +mp-1043203,CaCo(GeO3)2,-7.0885379115,-2.2845273463,0.0,-0.0063054432,GGA+U,C2/c,ABC2D6_mC40_15_e_e_f_3f:Ca-Co-Ge-O,20.0,ABC2D6_mC40_15_e_e_f_3f:Ca-Co-Ge-O +mp-1326042,Ca3Co2(GeO4)3,-7.0232185481,-2.3500793816,0.0239744281,0.0239744281,GGA+U,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Ca-Co-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Ca-Co-Ge-O +mp-1112882,Cs2CuSbI6,-2.909448198,-1.0235271226,0.0596369948,0.0596369948,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Sb +mp-1378479,Ta4Mn2Zn3O16,-8.6144322976,-2.667176645,0.0469475389,0.0469475389,GGA+U,P1,A2B16C4D3_aP25_1_2a_16a_4a_3a:Mn-O-Ta-Zn,50.0,"Invalid WP multiplicities - A2B16C4D3_aP25_1_4a_16a_4a_3a:Mn-O-Ta-Zn, expected Ta4Mn4Zn3O16 to be Ta4Mn2Zn3O16" +mp-18369,Ta2MnZn2O8,-8.4477127377,-2.6807460098,0.0166900242,0.0166900242,GGA+U,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Mn-O-Ta-Zn,26.0,"Invalid WP multiplicities - AB8C2D2_mC52_15_e_5f_f_f:Mn-O-Ta-Zn, expected Ta2MnZn2O10 to be Ta2MnZn2O8" +mp-1328951,Ta2MnZnO8,-8.7704014406,-2.6278327863,0.078185016,0.078185016,GGA+U,C2,AB8C2D_mC48_5_ab_8c_2c_c:Mn-O-Ta-Zn,48.0,"Invalid WP multiplicities - AB8C2D_mC48_5_2a2b_8c_2c_c:Mn-O-Ta-Zn, expected Ta2Mn2ZnO8 to be Ta2MnZnO8" +mp-1218079,Ta6Mn2Zn3O20,-9.0537365539,-2.8542623145,0.050509716,0.050509716,GGA+U,P1,A2B20C6D3_aP31_1_2a_20a_6a_3a:Mn-O-Ta-Zn,31.0,A2B20C6D3_aP31_1_2a_20a_6a_3a:Mn-O-Ta-Zn +mp-1346860,TaMnZn2O6,-7.6145146015,-2.2925733605,0.113838825,0.113838825,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Mn-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Mn-O-Ta-Zn, expected TaMnZn3O18 to be TaMnZn2O6" +mp-628705,YbFeGe,-5.1746446383,-0.29709219,0.1438834183,0.1438834183,GGA,C2/m,ABC_mC12_12_i_i_i:Fe-Ge-Yb,,ABC_mC12_12_i_i_i:Fe-Ge-Yb +mp-20510,Yb(FeGe)2,-5.945737458,-0.400596176,0.0,-0.0547756646,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Yb,,A2B2C_tI10_139_d_e_a:Fe-Ge-Yb +mp-1104694,Yb(FeGe)6,-6.4335800977,-0.2722029692,0.0,-0.0429610364,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Ge-Yb,,A6B6C_hP13_191_i_cde_a:Fe-Ge-Yb +mp-613612,Yb(Fe2Ge)2,-6.6043944029,-0.2235731414,0.0625669843,0.0625669843,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-Yb,,A4B2C_tP14_136_i_f_a:Fe-Ge-Yb +mp-21545,YbFeGe2O7,-7.110857735,-2.2124480824,0.0209072737,0.0209072737,GGA+U,C2/m,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Yb,,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Yb +mp-850212,Na3Mn5O12,-7.267381932,-1.8104860882,0.0722699846,0.0722699846,GGA+U,P2/m,A5B3C12_mP20_10_bij_cl_mn2o:Mn-Na-O,20.0,"Invalid WP multiplicities - A5B3C12_mP20_10_aij_hk_2m2n6o:Mn-Na-O, expected Na3Mn5O32 to be Na3Mn5O12" +mp-760843,Na11Mn13O32,-7.0797944364,-1.8664370117,0.0540797754,0.0540797754,GGA+U,C2/m,A13B11C32_mC112_12_aef2ij_d5i_8i4j:Mn-Na-O,56.0,"Invalid WP multiplicities - A13B11C32_mC112_12_a2ef4i4j_d10i_16i12j:Mn-Na-O, expected Na21Mn31O80 to be Na11Mn13O32" +mp-760838,Na11Mn13O32,-7.076455813,-1.8630983883,0.0574183988,0.0574183988,GGA+U,C2/m,A13B11C32_mC112_12_a2i2j_d5i_8i4j:Mn-Na-O,56.0,"Invalid WP multiplicities - A13B11C32_mC112_12_a4i5j_d9i_16i11j:Mn-Na-O, expected Na19Mn29O76 to be Na11Mn13O32" +mp-755874,Na2MnO3,-6.3510207233,-1.9098320545,0.0,-0.0347771798,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Mn-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_ach_2i2j:Mn-Na-O, expected Na2MnO6 to be Na2MnO3" +mp-761229,Na2MnO3,-6.3419280933,-1.9007394245,0.00909263,-0.0256845498,GGA+U,Fddd,AB2C3_oF96_70_e_2e_fh:Mn-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oF96_70_e_5e_2f2h:Mn-Na-O, expected Na5MnO6 to be Na2MnO3" +mp-1210340,Na3MnO4,-5.9115820475,-1.7970387953,0.0,-0.0375821833,GGA+U,Pnma,AB3C4_oP32_62_c_cd_2cd:Mn-Na-O,32.0,AB3C4_oP32_62_c_cd_2cd:Mn-Na-O +mp-1210504,Na3MnO4,-5.8385113262,-1.7239680741,0.0730707212,0.0354885379,GGA+U,P2_13,AB3C4_cP32_198_a_3a_ab:Mn-Na-O,32.0,AB3C4_cP32_198_a_3a_ab:Mn-Na-O +mp-765608,Na7Mn11O24,-7.384670876,-1.9379952965,0.0251833316,0.0251833316,GGA+U,P-1,A11B7C24_aP42_2_bef4i_a3i_12i:Mn-Na-O,42.0,"Invalid WP multiplicities - A11B7C24_aP42_2_bef7i_a4i_24i:Mn-Na-O, expected Na9Mn17O48 to be Na7Mn11O24" +mp-752601,NaMn3O4,-8.0609507444,-1.9865349925,0.0189360959,0.0189360959,GGA+U,C2/m,A3BC4_mC16_12_af_b_gi:Mn-Na-O,16.0,"Invalid WP multiplicities - A3BC4_mC16_12_2a2e_b_gi:Mn-Na-O, expected NaMn6O4 to be NaMn3O4" +mp-774805,Na6Mn7O10,-7.0238685326,-1.7396882753,0.0764632511,0.0764632511,GGA+U,Cm,A7B6C10_mC46_8_7a_6a_10a:Mn-Na-O,23.0,A7B6C10_mC46_8_7a_6a_10a:Mn-Na-O +mp-18999,NaMn7O12,-8.191134157,-1.9502893134,0.028777094,0.028777094,GGA+U,Im-3,A7BC12_cI40_204_bc_a_g:Mn-Na-O,20.0,"Invalid WP multiplicities - A7BC12_cI40_204_2b2c_a_g:Mn-Na-O, expected NaMn14O12 to be NaMn7O12" +mp-1247933,Na5Mn7O15,-7.2588297993,-1.8904200148,0.0878493701,0.0878493701,GGA+U,P1,A7B5C15_aP27_1_7a_5a_15a:Mn-Na-O,27.0,A7B5C15_aP27_1_7a_5a_15a:Mn-Na-O +mp-19080,Na2Mn3O7,-7.3375895725,-1.9410964523,0.0,-0.0525471423,GGA+U,P-1,A3B2C7_aP24_2_3i_2i_7i:Mn-Na-O,24.0,A3B2C7_aP24_2_3i_2i_7i:Mn-Na-O +mp-759304,Na3MnO3,-5.7266485496,-1.7309832202000002,0.0584338543,0.0584338543,GGA+U,P-1,AB3C3_aP14_2_i_3i_3i:Mn-Na-O,28.0,AB3C3_aP14_2_i_3i_3i:Mn-Na-O +mp-849461,Na3MnO3,-5.7320243239,-1.7363589945,0.05305808,0.05305808,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Mn-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_7e_11e:Mn-Na-O, expected Na7MnO11 to be Na3MnO3" +mp-755984,Na3MnO3,-5.7626594868000005,-1.7669941573,0.0224229171,0.0224229171,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Mn-Na-O,28.0,AB3C3_mP28_14_e_3e_3e:Mn-Na-O +mp-774808,Na3MnO3,-5.6927168323,-1.6970515029,0.0923655716,0.0923655716,GGA+U,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Mn-Na-O,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_3e_23e_19e:Mn-Na-O, expected Na23Mn3O19 to be Na3MnO3" +mp-761217,Na3MnO3,-5.7436253012,-1.7479599717,0.0414571027,0.0414571027,GGA+U,Cmce,AB3C3_oC168_64_3f_e2f3g_d4g:Mn-Na-O,84.0,"Invalid WP multiplicities - AB3C3_oC168_64_11f_2e6f10g_4d9g:Mn-Na-O, expected Na28Mn11O22 to be Na3MnO3" +mp-849299,Na3MnO3,-5.7514621429,-1.7557968134,0.0336202611,0.0336202611,GGA+U,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Mn-Na-O,28.0,AB3C3_tP28_136_f_fi_gi:Mn-Na-O +mp-1002571,NaMn2O4,-7.6098251871,-1.9764950839,0.0051363011,-0.0007369096,GGA+U,P-1,A2BC4_aP7_2_cd_b_2i:Mn-Na-O,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_cd_b_3i:Mn-Na-O, expected NaMn2O6 to be NaMn2O4" +mp-1003767,NaMn2O4,-7.5933591805,-1.9600290772,0.0216023077,0.0157290971,GGA+U,Cc,A2BC4_mC84_9_6a_3a_12a:Mn-Na-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_9_12a_5a_24a:Mn-Na-O, expected Na5Mn12O24 to be NaMn2O4" +mp-542710,NaMn2O4,-7.6149614882,-1.981631385,0.0,-0.0058732106,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Mn-Na-O,28.0,A2BC4_oP28_62_2c_c_4c:Mn-Na-O +mp-764033,NaMn2O4,-7.5897840479,-1.9564539446,0.0251774404,0.0193042297,GGA+U,P2/c,A2BC4_mP28_13_adg_ef_4g:Mn-Na-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_13_2a2dg_2ef_9g:Mn-Na-O, expected NaMn2O6 to be NaMn2O4" +mp-1004376,NaMn2O4,-7.586005005,-1.9526749018,0.0289564832,0.0230832726,GGA+U,C222_1,A2BC4_oC56_20_2c_ab_4c:Mn-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oC56_20_7c_2a2b_16c:Mn-Na-O, expected Na2Mn7O16 to be NaMn2O4" +mp-1003766,NaMn2O4,-7.5691973321,-1.9358672289,0.0457641561,0.0398909454,GGA+U,Pmc2_1,A2BC4_oP14_26_ab_a_2a2b:Mn-Na-O,14.0,"Invalid WP multiplicities - A2BC4_oP14_26_a2b_a_4a3b:Mn-Na-O, expected NaMn3O7 to be NaMn2O4" +mp-760962,NaMn2O4,-7.5218006843,-1.8884705811,0.0931608039,0.0872875933,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Mn-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_ce_2ab_3e2g:Mn-Na-O, expected Na3Mn4O14 to be NaMn2O4" +mp-774174,NaMn2O4,-7.5255848671,-1.8922547639,0.0893766211,0.0835034104,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Mn-Na-O,14.0,A2BC4_oC28_63_f_c_acf:Mn-Na-O +mp-1101481,NaMn2O4,-7.5180868775,-1.8847567743,0.0968746107,0.0910014001,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Mn-Na-O,56.0,"Invalid WP multiplicities - A2BC4_oC28_63_f_c_2a4c3f:Mn-Na-O, expected NaMn2O12 to be NaMn2O4" +mp-1293027,NaMn2O4,-7.5849733307,-1.9516432275,0.0299881575,0.0241149469,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Mn-Na-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ac_e_2h2i:Mn-Na-O, expected NaMn2O8 to be NaMn2O4" +mp-1003736,NaMn2O4,-7.5049049334,-1.8715748302,0.1100565548,0.1041833442,GGA+U,P4_2/n,A2BC4_tP56_86_2g_g_4g:Mn-Na-O,56.0,"Invalid WP multiplicities - A2BC4_tP56_86_11g_g_23g:Mn-Na-O, expected NaMn11O23 to be NaMn2O4" +mp-764021,NaMn2O4,-7.5544875007,-1.9211573975,0.0604739875,0.0546007769,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Mn-Na-O,14.0,A2BC4_tI28_141_c_b_h:Mn-Na-O +mp-760340,NaMn2O4,-7.4982681471,-1.8649380439,0.1166933411,0.1108201304,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Mn-Na-O,14.0,A2BC4_cF56_227_c_b_e:Mn-Na-O +mp-766607,Na7Mn16O32,-7.6427335171,-1.9310251446,0.0389276943,0.0389276943,GGA+U,P1,A16B7C32_aP55_1_16a_7a_32a:Mn-Na-O,55.0,A16B7C32_aP55_1_16a_7a_32a:Mn-Na-O +mp-760851,Na7Mn16O32,-7.5673286118,-1.8556202393,0.1143325996,0.1143325996,GGA+U,I-42m,A16B7C32_tI110_121_2ij_adi_4i2j:Mn-Na-O,55.0,"Invalid WP multiplicities - A16B7C32_tI110_121_7ij_ad2i_12i3j:Mn-Na-O, expected Na11Mn36O72 to be Na7Mn16O32" +mp-38089,Na10Mn4O9,-5.755135095,-1.651069334,0.0170544503,0.0170544503,GGA+U,Cm,A4B10C9_mC92_8_4a2b_4a8b_6a6b:Mn-Na-O,46.0,"Invalid WP multiplicities - A4B10C9_mC92_8_4a2b_4a10b_6a6b:Mn-Na-O, expected Na12Mn4O9 to be Na10Mn4O9" +mp-1176326,Na5MnO5,-5.3408083227,-1.6582551122,0.0411257682,0.0411257682,GGA+U,C2/c,AB5C5_mC44_15_e_e2f_e2f:Mn-Na-O,22.0,"Invalid WP multiplicities - AB5C5_mC44_15_e_2e7f_e8f:Mn-Na-O, expected Na16MnO17 to be Na5MnO5" +mp-29770,Na3(Mn2Te3)2,-5.1436138123,-0.5685774732000001,0.0211514466,0.0211514466,GGA,C2/m,A4B3C6_mC26_12_j_ag_ij:Mn-Na-Te,13.0,A4B3C6_mC26_12_j_ag_ij:Mn-Na-Te +mp-27569,Na14Mn2O9,-4.811260094,-1.5568767703000002,0.0,-0.0136873132,GGA+U,P-3,A2B14C9_hP25_147_d_c2g_adg:Mn-Na-O,25.0,A2B14C9_hP25_147_d_c2g_adg:Mn-Na-O +mp-1094147,Na4Mn9O18,-7.6650798424,-1.9622206294,0.0090507551,0.0090507551,GGA+U,Pmc2_1,A9B4C18_oP62_26_4a5b_a3b_10a8b:Mn-Na-O,62.0,"Invalid WP multiplicities - A9B4C18_oP62_26_6a7b_a4b_15a12b:Mn-Na-O, expected Na5Mn13O27 to be Na4Mn9O18" +mp-1080210,NaMn3O6,-7.7204312462,-1.8715609025,0.0718886924,0.0718886924,GGA+U,C2/c,A3BC6_mC80_15_3f_f_6f:Mn-Na-O,40.0,"Invalid WP multiplicities - A3BC6_mC80_15_10f_f_20f:Mn-Na-O, expected NaMn10O20 to be NaMn3O6" +mp-14782,Na6MnTe4,-3.6499161814,-0.9526079426,0.0,-0.0223123956,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Mn-Na-Te,22.0,AB6C4_hP22_186_b_2c_bc:Mn-Na-Te +mp-774812,Na4MnO3,-5.2369930584,-1.5754702335,0.0347123977,0.0347123977,GGA+U,Ibca,AB4C3_oI64_73_c_cdf_ef:Mn-Na-O,32.0,"Invalid WP multiplicities - AB4C3_oI64_73_c_3c2d6f_4e3f:Mn-Na-O, expected Na17MnO10 to be Na4MnO3" +mp-1003635,NaMn16O32,-8.0919902898,-1.842830928,0.0001662776,0.0001662776,GGA+U,P4/m,A16BC32_tP49_83_jkl_a_2j2k2l:Mn-Na-O,49.0,"Invalid WP multiplicities - A16BC32_tP49_83_4j4kl_a_8j8k2l:Mn-Na-O, expected NaMn40O80 to be NaMn16O32" +mp-766059,Na3Mn8O16,-7.6719469209,-1.8789573803,0.0766377855,0.0766377855,GGA+U,Pmmn,A8B3C16_oP54_59_c2ef_ae_4e2fg:Mn-Na-O,54.0,"Invalid WP multiplicities - A8B3C16_oP54_59_c6ef_2ae_13e4f2g:Mn-Na-O, expected Na2Mn8O21 to be Na3Mn8O16" +mp-849304,Na4MnO4,-5.5565512611,-1.7522322266,0.0006424011,0.0006424011,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Mn-Na-O,18.0,"Invalid WP multiplicities - AB4C4_aP18_2_i_7i_7i:Mn-Na-O, expected Na7MnO7 to be Na4MnO4" +mp-755816,Na4MnO4,-5.5005712403,-1.6962522057,0.0566224219,0.0566224219,GGA+U,Pc,AB4C4_mP18_7_a_4a_4a:Mn-Na-O,36.0,AB4C4_mP18_7_a_4a_4a:Mn-Na-O +mp-754932,Na2Mn2O3,-6.8810530014,-1.7654605293,0.0351001764,0.0098066552,GGA+U,P2_1/c,A2B2C3_mP14_14_e_e_ae:Mn-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Mn-Na-O +mp-558376,Na2Mn2O3,-6.9161531779,-1.8005607057000002,0.0,-0.0252935212,GGA+U,P4_32_12,A2B2C3_tP28_96_b_b_ab:Mn-Na-O,28.0,A2B2C3_tP28_96_b_b_ab:Mn-Na-O +mp-760866,Na5Mn11O24,-7.4843637313,-1.8314806375,0.0941605513,0.0941605513,GGA+U,Cm,A11B5C24_mC80_8_5a3b_5a_12a6b:Mn-Na-O,40.0,"Invalid WP multiplicities - A11B5C24_mC80_8_5a3b_5a_12a7b:Mn-Na-O, expected Na5Mn11O26 to be Na5Mn11O24" +mp-28262,Na5MnO4,-5.2300731137,-1.6739334533,0.010346431,0.010346431,GGA+U,Pmn2_1,AB5C4_oP20_31_a_a2b_2ab:Mn-Na-O,40.0,AB5C4_oP20_31_a_a2b_2ab:Mn-Na-O +mp-760841,NaMn10O20,-7.9852582377,-1.7956952558,0.0683904418,0.0683904418,GGA+U,I4_1/a,A10BC20_tI124_88_c2f_a_5f:Mn-Na-O,62.0,"Invalid WP multiplicities - A10BC20_tI124_88_4c12f_a_30f:Mn-Na-O, expected NaMn56O120 to be NaMn10O20" +mp-780531,Na3Mn3O8,-6.9188726186,-1.8455060867,0.0206967261,0.0206967261,GGA+U,P4_332,A3B3C8_cP56_212_d_ac_ce:Mn-Na-O,56.0,"Invalid WP multiplicities - A3B3C8_cP56_212_d_4a5c_8c9e:Mn-Na-O, expected Na14Mn3O70 to be Na3Mn3O8" +mp-761074,Na7Mn10O24,-7.1950343995,-1.8389768618,0.0778138392,0.0778138392,GGA+U,Cm,A10B7C24_mC82_8_4a3b_7a_12a6b:Mn-Na-O,41.0,"Invalid WP multiplicities - A10B7C24_mC82_8_4a4b_7a_12a10b:Mn-Na-O, expected Na7Mn12O32 to be Na7Mn10O24" +mp-1097910,NaMn8O16,-8.028426019,-1.8777993386,6.41738e-05,-0.0101365734,GGA+U,Pc,A8BC16_mP50_7_8a_a_16a:Mn-Na-O,50.0,"Invalid WP multiplicities - A8BC16_mP50_7_16a_a_32a:Mn-Na-O, expected NaMn16O32 to be NaMn8O16" +mp-1003638,NaMn8O16,-8.0284901928,-1.8778635124,0.0,-0.0102007472,GGA+U,P2/c,A8BC16_mP50_13_4g_e_8g:Mn-Na-O,50.0,"Invalid WP multiplicities - A8BC16_mP50_13_15g_e_31g:Mn-Na-O, expected NaMn30O62 to be NaMn8O16" +mp-760061,NaMn8O16,-7.9529622502,-1.8023355698,0.0755279426,0.0653271954,GGA+U,Pmmn,A8BC16_oP50_59_c2ef_a_4e2fg:Mn-Na-O,50.0,"Invalid WP multiplicities - A8BC16_oP50_59_c5ef_a_11e7f2g:Mn-Na-O, expected NaMn14O44 to be NaMn8O16" +mp-1210615,Na4MnO5,-5.5548963152,-1.636340313,0.0629567801,0.0629567801,GGA+U,Pnma,AB4C5_oP40_62_c_acd_3cd:Mn-Na-O,40.0,AB4C5_oP40_62_c_acd_3cd:Mn-Na-O +mp-780612,Na5Mn2O8,-5.9740143537,-1.6733365709,0.0545926807,0.0545926807,GGA+U,Pnma,A2B5C8_oP120_62_2cd_2c4d_4c6d:Mn-Na-O,120.0,"Invalid WP multiplicities - A2B5C8_oP120_62_7c2d_8c13d_15c22d:Mn-Na-O, expected Na34Mn11O59 to be Na5Mn2O8" +mp-18869,Na4Mn2O5,-6.2802304577,-1.8849963383,0.0,-0.0153985573,GGA+U,Fddd,A2B4C5_oF88_70_e_h_a2f:Mn-Na-O,22.0,"Invalid WP multiplicities - A2B4C5_oF88_70_e_h_2a4f:Mn-Na-O, expected Na2MnO5 to be Na4Mn2O5" +mp-1283729,NaMnO2,-7.1012391344,-2.0067596324,0.0243274012,-0.0662464026,GGA+U,P-1,ABC2_aP16_2_abi_2i_4i:Mn-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_ad2i_4i_8i:Mn-Na-O, expected Na4Mn3O8 to be NaMnO2" +mp-1016119,NaMnO2,-7.0288406381,-1.9343611361,0.0967258975,0.0061520936,GGA+U,Pm,ABC2_mP16_6_2a2b_3ab_4a4b:Mn-Na-O,16.0,ABC2_mP16_6_2a2b_3ab_4a4b:Mn-Na-O +mp-755520,NaMnO2,-7.06763863,-1.973159128,0.0579279056,-0.0326458983,GGA+U,C2/m,ABC2_mC8_12_a_c_i:Mn-Na-O,8.0,ABC2_mC8_12_a_d_i:Mn-Na-O +mp-18957,NaMnO2,-7.1255665356,-2.0310870336,0.0,-0.0905738039,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Mn-Na-O,16.0,ABC2_mC8_12_a_c_i:Mn-Na-O +mp-21036,NaMnO2,-7.1126178488,-2.0181383467,0.0129486869,-0.077625117,GGA+U,Pmmn,ABC2_oP8_59_a_a_2b:Mn-Na-O,8.0,ABC2_oP8_59_a_a_2b:Mn-Na-O +mp-1016152,NaMnO2,-7.0429022513,-1.9484227492,0.0826642844,-0.0079095195,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Mn-Na-O,16.0,ABC2_oP16_62_c_c_2c:Mn-Na-O +mp-1272321,NaMnO2,-7.1113041294,-2.0168246274,0.0142624062,-0.0763113976,GGA+U,Cmcm,ABC2_oC16_63_a_c_f:Mn-Na-O,16.0,ABC2_oC16_63_a_c_f:Mn-Na-O +mp-759533,NaMnO2,-7.09504919,-2.000569688,0.0305173456,-0.0600564583,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Mn-Na-O,16.0,ABC2_tI32_141_c_d_h:Mn-Na-O +mp-755160,NaMnO2,-7.012435545,-1.917956043,0.1131309906,0.0225571867,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:Mn-Na-O,8.0,ABC2_tI16_141_a_b_e:Mn-Na-O +mp-578605,NaMnO2,-7.0289256425,-1.9344461405,0.0966408931,0.0060670892,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Mn-Na-O,4.0,ABC2_hR12_166_a_b_c:Mn-Na-O +mp-971647,NaMnO2,-7.0173247375,-1.9228452355,0.1082417981,0.0176679942,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Mn-Na-O,8.0,ABC2_hP8_194_a_c_f:Mn-Na-O +mp-765753,NaMnO4,-6.4288870446,-1.3836711395,0.0678199371,0.0678199371,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Mn-Na-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Mn-Na-O, expected NaMnO13 to be NaMnO4" +mp-754880,NaMnO4,-6.1452422504,-1.1000263453,0.3514647313,0.3514647313,GGA+U,Pnma,ABC4_oP24_62_a_c_2cd:Mn-Na-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_a_c_5c4d:Mn-Na-O, expected NaMnO13 to be NaMnO4" +mp-759794,NaMnO4,-6.4334120075,-1.3881961024,0.0632949742,0.0632949742,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Mn-Na-O,12.0,"Invalid WP multiplicities - ABC4_oC24_63_c_a_f2g:Mn-Na-O, expected NaMnO6 to be NaMnO4" +mp-774338,Na6MnO4,-4.9104864045,-1.5574025957000002,0.0123968075,0.0123968075,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Mn-Na-O,44.0,AB6C4_tP22_137_a_df_g:Mn-Na-O +mp-19321,Na6MnO4,-4.9045365918,-1.5514527829,0.0183466203,0.0183466203,GGA+U,P6_3mc,AB6C4_hP22_186_b_2c_bc:Mn-Na-O,44.0,AB6C4_hP22_186_b_2c_bc:Mn-Na-O +mp-760171,Na11Mn24O48,-7.6176360369,-1.9323685263,0.0415240631,0.0415240631,GGA+U,P1,A24B11C48_aP83_1_24a_11a_48a:Mn-Na-O,83.0,A24B11C48_aP83_1_24a_11a_48a:Mn-Na-O +mp-764537,Na9Mn15O32,-7.4156797727,-1.9223405623,0.045451255,0.045451255,GGA+U,P1,A15B9C32_aP56_1_15a_9a_32a:Mn-Na-O,56.0,A15B9C32_aP56_1_15a_9a_32a:Mn-Na-O +mp-759832,Na9Mn15O32,-7.3927285432,-1.8993893328,0.0684024845,0.0684024845,GGA+U,P-1,A15B9C32_aP56_2_abcef5i_g4i_16i:Mn-Na-O,56.0,"Invalid WP multiplicities - A15B9C32_aP56_2_abcef10i_g6i_31i:Mn-Na-O, expected Na13Mn25O62 to be Na9Mn15O32" +mp-1101680,Na9Mn15O32,-7.4057276239,-1.9123884135,0.0554034038,0.0554034038,GGA+U,C2/m,A15B9C32_mC112_12_aef3ij_d4i_8i4j:Mn-Na-O,56.0,"Invalid WP multiplicities - A15B9C32_mC112_12_ae2f6i3j_d6i_15i12j:Mn-Na-O, expected Na13Mn31O78 to be Na9Mn15O32" +mp-761102,Na3Mn20O40,-7.9213539116,-1.8090454962,0.0771464077,0.0771464077,GGA+U,Cm,A20B3C40_mC126_8_10a5b_3a_20a10b:Mn-Na-O,63.0,"Invalid WP multiplicities - A20B3C40_mC126_8_10a8b_3a_20a13b:Mn-Na-O, expected Na3Mn26O46 to be Na3Mn20O40" +mp-778825,Na10Mn2O9,-5.2610014786,-1.6386451967,0.0693844519,0.0693844519,GGA+U,P1,A2B10C9_aP21_1_2a_10a_9a:Mn-Na-O,42.0,"Invalid WP multiplicities - A2B10C9_aP21_1_4a_10a_9a:Mn-Na-O, expected Na10Mn4O9 to be Na10Mn2O9" +mp-1272454,Na2MnO2,-6.0002172045,-1.6601285442,0.0388971884,0.0388971884,GGA+U,C2/m,AB2C2_mC20_12_g_2i_2i:Mn-Na-O,20.0,AB2C2_oI20_72_a_j_j:Mn-Na-O +mp-774792,Na2MnO2,-6.0036080888,-1.6635194285,0.0355063042,0.0355063042,GGA+U,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Mn-Na-O,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_5e_13e_13e:Mn-Na-O, expected Na13Mn5O13 to be Na2MnO2" +mp-559081,Na2MnO2,-6.0335206613,-1.693432001,0.0055937316,0.0055937316,GGA+U,C2/c,AB2C2_mC60_15_ef_2e2f_3f:Mn-Na-O,30.0,"Invalid WP multiplicities - AB2C2_mC60_15_2e2f_2e2f_3f:Mn-Na-O, expected NaMnO to be Na2MnO2" +mp-774256,Na2MnO2,-6.009897346,-1.6698086857,0.0292170469,0.0292170469,GGA+U,Ibam,AB2C2_oI20_72_a_j_j:Mn-Na-O,20.0,AB2C2_oI20_72_a_j_j:Mn-Na-O +mp-28186,Na2MnO4,-6.0786607579,-1.5652577973,0.0836891186,0.0836891186,GGA+U,P6_3mc,AB2C4_hP14_186_b_ab_bc:Mn-Na-O,14.0,AB2C4_hP14_186_b_ab_bc:Mn-Na-O +mp-12682,NaMnTe2,-4.7071514775,-0.5143633845,0.124509612,0.124509612,GGA,P3m1,ABC2_hP4_156_a_b_ac:Mn-Na-Te,4.0,ABC2_hP4_156_a_b_ac:Mn-Na-Te +mp-561325,Na3Mn4(TeO6)2,-6.9747864719,-1.9146667876,0.0,-0.0048416102,GGA+U,Pnma,A4B3C12D2_oP84_62_2d_cd_4c4d_2c:Mn-Na-O-Te,84.0,"Invalid WP multiplicities - A4B3C12D2_oP84_62_14d_4c5d_15c28d_5c:Mn-Na-O-Te, expected Na14Mn28Te5O71 to be Na3Mn4(TeO6)2" +mp-764328,Na5Mn7O16,-7.2685354725,-1.9151871549,0.0387650947,0.0387650947,GGA+U,P2/m,A7B5C16_mP28_10_bceo_gmn_2m2n2o:Mn-Na-O,28.0,"Invalid WP multiplicities - A7B5C16_mP28_10_bcd2o_h2m2n_4m4n2o:Mn-Na-O, expected Na9Mn11O24 to be Na5Mn7O16" +mp-765607,Na5Mn7O16,-7.2103282896,-1.8569799721,0.0969722776,0.0969722776,GGA+U,C2/m,A7B5C16_mC56_12_aij_c2i_4i2j:Mn-Na-O,28.0,"Invalid WP multiplicities - A7B5C16_mC56_12_ai2j_d4i_8i6j:Mn-Na-O, expected Na9Mn11O40 to be Na5Mn7O16" +mp-761085,Na9Mn21O40,-7.7020912771,-1.9567684597,0.0324106531,0.0324106531,GGA+U,C2,A21B9C40_mC140_5_a10c_b4c_20c:Mn-Na-O,70.0,"Invalid WP multiplicities - A21B9C40_mC140_5_a16c_b6c_40c:Mn-Na-O, expected Na13Mn33O80 to be Na9Mn21O40" +mp-1016155,NaMn4O8,-7.8793917008,-1.9144612276,0.003762951,0.003762951,GGA+U,C2/m,A4BC8_mC26_12_abe_c_2ij:Mn-Na-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_abe_c_4i4j:Mn-Na-O, expected NaMn4O24 to be NaMn4O8" +mp-1221335,Na2Mn3Te4,-5.2807425967,-0.5358181482000001,0.0320689598,0.0320689598,GGA,Cm,A3B2C4_mC18_8_3a_2a_4a:Mn-Na-Te,9.0,A3B2C4_mC18_8_3a_2a_4a:Mn-Na-Te +mp-759800,Na4Mn5O12,-7.1568536998,-1.8968326441,0.0397974657,0.0397974657,GGA+U,C2/c,A5B4C12_mC84_15_c2f_aef_6f:Mn-Na-O,42.0,"Invalid WP multiplicities - A5B4C12_mC84_15_2a8f_2c2e4f_22f:Mn-Na-O, expected Na6Mn9O22 to be Na4Mn5O12" +mp-20340,EuN,-10.304936705,-1.0081883425,0.0,-0.3704770419,GGA,Fm-3m,AB_cF8_225_a_b:Eu-N,2.0,AB_cF8_225_a_b:Eu-N +mp-1072167,EuN2,-8.255465915,0.7211979683,1.39332353,1.39332353,GGA,I4_1/amd,AB2_tI12_141_a_e:Eu-N,6.0,AB2_tI12_141_a_e:Eu-N +mp-1184048,Eu2N,-10.400412085,-0.7835792433000001,0.0667024908,-0.1114536817,GGA,P4_2/mnm,A2B_tP6_136_f_a:Eu-N,6.0,A2B_tP6_136_f_a:Eu-N +mp-1212961,Eu2N,-10.4671145758,-0.8502817342000001,0.0,-0.1781561725,GGA,Fd-3m,A2B_cF48_227_e_c:Eu-N,12.0,A2B_cF48_227_e_c:Eu-N +mp-1019726,EuMg3SiN4,-7.1256199196,-1.1446043996,0.0,-0.0147634427,GGA,I4_1/a,AB3C4D_tI144_88_f_3f_4f_f:Eu-Mg-N-Si,72.0,AB3C4D_tI144_88_f_3f_4f_f:Eu-Mg-N-Si +mp-1191010,Eu2SiN3,-9.8566459817,-1.3651782475,0.0,-0.2699837132,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Eu-N-Si,24.0,A2B3C_oC48_64_2f_e2f_f:Eu-N-Si +mp-560501,Tb3CuSiS7,-6.1882588771,-1.8230278714,0.0,-0.0354398451,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Si-Tb,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b8c_b_c:Cu-S-Si-Tb, expected Tb3CuSiS26 to be Tb3CuSiS7" +mp-1217871,Tb12Si5S28,-6.319256924,-1.9068218213,0.016254668,0.016254668,GGA,P1,A28B5C12_aP45_1_28a_5a_12a:S-Si-Tb,45.0,A28B5C12_aP45_1_28a_5a_12a:S-Si-Tb +mp-16402,Tb4(SiS4)3,-6.1771876372,-1.7324078008,0.0,-0.0028869893,GGA,P2_1/c,A12B3C4_mP76_14_12e_3e_4e:S-Si-Tb,76.0,A12B3C4_mP76_14_12e_3e_4e:S-Si-Tb +mp-22013,LaTiO3,-9.174762257,-3.6404492059,0.0254489547,0.0254489547,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Ti,20.0,AB3C_oP20_62_c_cd_a:La-O-Ti +mp-8020,LaTiO3,-9.13262696,-3.5983139089,0.0675842517,0.0675842517,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Ti,5.0,AB3C_cP5_221_a_c_b:La-O-Ti +mp-558371,La5Ti5O17,-9.2542131143,-3.7634277921,0.0,-0.0006310793,GGA,P2_1/c,A5B17C5_mP108_14_5e_17e_ab4e:La-O-Ti,108.0,"Invalid WP multiplicities - A5B17C5_mP108_14_18e_65e_2ad11e:La-O-Ti, expected La36Ti25O130 to be La5Ti5O17" +mp-29045,La5Ti5O17,-9.2485982159,-3.7578128937,0.0056148983,0.004983819,GGA,Pmn2_1,A5B17C5_oP54_31_5a_17a_5a:La-O-Ti,54.0,A5B17C5_oP54_31_5a_17a_5a:La-O-Ti +mp-18051,La2TiO5,-9.1678433172,-3.8552245943,0.0,-0.0422531829,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:La-O-Ti,32.0,A2B5C_oP32_62_2c_5c_c:La-O-Ti +mp-781235,La2Ti3O9,-9.2481550404,-3.6711058503,0.053213362,0.053213362,GGA,P1,A2B9C3_aP28_1_4a_18a_6a:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_mC56_8_4a_6a12b_6a:La-O-Ti, expected La2Ti3O15 to be La2Ti3O9" +mp-785427,La2Ti3O9,-6.9051715300000005,-1.3281223399,2.3961968723,2.3961968723,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_aP28_2_3i_17i_5i:La-O-Ti, expected La3Ti5O17 to be La2Ti3O9" +mp-769720,La2Ti3O9,-9.2623012529,-3.6852520628,0.0390671495,0.0390671495,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_aP28_2_3i_17i_5i:La-O-Ti, expected La3Ti5O17 to be La2Ti3O9" +mp-770454,La2Ti3O9,-9.2185279807,-3.6414787906,0.0828404216,0.0828404216,GGA,P2_1,A2B9C3_mP28_4_2a_9a_3a:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_mP28_4_3a_17a_5a:La-O-Ti, expected La3Ti5O17 to be La2Ti3O9" +mp-758038,La2Ti3O9,-9.2638344829,-3.6867852928,0.0375339195,0.0375339195,GGA,C2/m,A2B9C3_mC56_12_adi_bc2i3j_3i:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_mC56_12_ad2i_bc4i10j_5i:La-O-Ti, expected La3Ti5O25 to be La2Ti3O9" +mp-770448,La2Ti3O9,-9.2157863007,-3.6387371106,0.0855821016,0.0855821016,GGA,Pnma,A2B9C3_oP56_62_2c_5c2d_a2c:La-O-Ti,56.0,"Invalid WP multiplicities - A2B9C3_oP56_62_5c_19c6d_2a6c:La-O-Ti, expected La5Ti8O31 to be La2Ti3O9" +mp-1225827,La2Ti3O9,-8.875572485,-3.2985232949,0.4257959173,0.4257959173,GGA,Immm,A2B9C3_oI28_71_e_c2e2f_ae:La-O-Ti,14.0,"Invalid WP multiplicities - A2B9C3_oI28_71_e_c2e4f_ae:La-O-Ti, expected La2Ti3O13 to be La2Ti3O9" +mp-769997,La2Ti3O9,-9.2156662493,-3.6386170592,0.085702153,0.085702153,GGA,P6_3/m,A2B9C3_hP28_176_f_hi_h:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_hP28_176_f_4h3i_h:La-O-Ti, expected La2Ti3O30 to be La2Ti3O9" +mp-754191,La2Ti3O9,-9.206476895,-3.6294277049,0.0948915073,0.0948915073,GGA,I23,A2B9C3_cI56_197_c_df_e:La-O-Ti,28.0,"Invalid WP multiplicities - A2B9C3_cI56_197_c_3d4f_e:La-O-Ti, expected La2Ti3O33 to be La2Ti3O9" +mp-1211288,LaTiTeO6,-7.9100331522,-2.8372623431,0.081877407,0.081877407,GGA,P312,AB6CD_hP9_149_b_l_c_e:La-O-Te-Ti,9.0,AB6CD_hP9_149_b_l_c_e:La-O-Te-Ti +mp-754804,La3Ti4O12,-9.2606721926,-3.6948693549,0.0267107955,0.0267107955,GGA,Amm2,A3B12C4_oC38_38_2ab_2cdef_f:La-O-Ti,19.0,"Invalid WP multiplicities - A3B12C4_oC38_38_2ab_2c2d2e2f_f:La-O-Ti, expected La3Ti4O20 to be La3Ti4O12" +mp-1223346,La4Ti5(TeO8)3,-8.2832661225,-3.0784901432,0.0078312461,0.0078312461,GGA,P1,A4B24C3D5_aP36_1_4a_24a_3a_5a:La-O-Te-Ti,36.0,A4B24C3D5_aP36_1_4a_24a_3a_5a:La-O-Te-Ti +mp-560383,La4Ti9O24,-9.3318573267,-3.669046904,0.0013129391,0.0013129391,GGA,Fddd,A4B24C9_oF592_70_2eh_2f11h_e4h:La-O-Ti,148.0,"Invalid WP multiplicities - A4B24C9_oF592_70_8e4h_8f81h_3e23h:La-O-Ti, expected La16Ti49O170 to be La4Ti9O24" +mp-28801,La5Ti4O15,-9.1543602223,-3.7184296281,0.0654377614,0.0654377614,GGA,P-3c1,A5B15C4_hP48_165_b2d_e2g_cd:La-O-Ti,48.0,"Invalid WP multiplicities - A5B15C4_hP48_165_b2d_e3g_cd:La-O-Ti, expected La5Ti4O21 to be La5Ti4O15" +mp-559768,La2Ti2O7,-9.2652546332,-3.7843619766,0.0004571343,-0.0185993893,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:La-O-Ti,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_26a_8a:La-O-Ti, expected La7Ti8O26 to be La2Ti2O7" +mp-12192,La2Ti2O7,-9.2657117675,-3.7848191109,0.0,-0.0190565237,GGA,Pna2_1,A2B7C2_oP88_33_4a_14a_4a:La-O-Ti,88.0,"Invalid WP multiplicities - A2B7C2_oP88_33_4a_17a_4a:La-O-Ti, expected La4Ti4O17 to be La2Ti2O7" +mp-8154,La2Ti2O7,-9.25756298,-3.7766703234,0.0081487875,-0.0109077362,GGA,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:La-O-Ti,22.0,A2B7C2_oC44_36_2a_7a_2a:La-O-Ti +mp-4423,La2Ti2O7,-9.2153484255,-3.7344557689,0.050363342,0.0313068184,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:La-O-Ti +mp-1212566,La4TiO8,-8.7547302117,-3.584497125,0.2782974225,0.2782974225,GGA,P4/mbm,A4B8C_tP78_127_ghl_ef2i2jk_ag:La-O-Ti,78.0,A4B8C_tP78_127_ghl_ef2i2jk_ag:La-O-Ti +mp-1099905,La2Ti2O5,-8.9179369478,-3.3183323034,0.136261936,0.136261936,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:La-O-Ti,18.0,A2B5C2_oI36_46_c_b2c_ab:La-O-Ti +mp-1097763,La2Ti2O5,-8.9187856356,-3.3191809912,0.1354132482,0.1354132482,GGA,Imma,A2B5C2_oI36_74_h_cgh_ae:La-O-Ti,18.0,A2B5C2_oI36_74_h_cgh_ae:La-O-Ti +mp-675532,LaTi6O12,-9.2044568363,-3.3271292711,0.1801913916,0.1801913916,GGA,P-1,AB12C6_aP38_2_i_12i_6i:La-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_aP38_2_i_23i_11i:La-O-Ti, expected LaTi11O23 to be LaTi6O12" +mp-757394,LaTi6O12,-9.3265037753,-3.44917621,0.0581444527,0.0581444527,GGA,C2/m,AB12C6_mC76_12_g_4i4j_2i2j:La-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_mC76_12_g_7i10j_3i6j:La-O-Ti, expected LaTi15O27 to be LaTi6O12" +mp-1222737,LaTi2O6,-8.9512901611,-3.3504986716,0.1299417574,0.1299417574,GGA,I-42m,AB6C2_tI18_121_a_ci_d:La-O-Ti,9.0,AB6C2_tI18_121_a_ci_d:La-O-Ti +mp-1222717,LaTi2O6,-9.0027802678,-3.4019887782,0.0784516508,0.0784516508,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:La-O-Ti,9.0,AB6C2_tP9_123_c_abi_g:La-O-Ti +mp-770474,La4Ti3O12,-9.13094067,-3.7209001961,0.0935633289,0.0935633289,GGA,P-1,A4B12C3_aP19_2_2i_6i_abe:La-O-Ti,19.0,"Invalid WP multiplicities - A4B12C3_aP19_2_3i_11i_abe:La-O-Ti, expected La6Ti3O22 to be La4Ti3O12" +mp-3249,La4Ti3O12,-9.1873910637,-3.7773505897,0.0371129353,0.0371129353,GGA,R-3,A4B12C3_hR57_148_2c_2f_ac:La-O-Ti,19.0,A4B12C3_hR57_148_2c_2f_ac:La-O-Ti +mp-1026409,HfMg14Sb,-2.3013319825,-0.0207000469,0.0795563475,0.0795563475,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Sb, expected HfMg18Sb to be HfMg14Sb" +mp-1026418,HfMg14Sb,-2.2880757781,-0.0074438425,0.0928125519,0.0928125519,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Sb, expected HfMg26Sb to be HfMg14Sb" +mp-1017132,HfMg6Sb,-2.9907770212,-0.0297932,0.1478617751,0.1478617751,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Sb, expected HfMg12Sb to be HfMg6Sb" +mp-1017157,HfMg6Sb,-2.9932806706,-0.0322968494,0.1453581257,0.1453581257,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Sb, expected HfMg12Sb to be HfMg6Sb" +mp-1038355,HfMg30SbO32,-6.3193418367,-2.8757694847,0.1758616977,0.1758616977,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Sb, expected HfMg90SbO80 to be HfMg30SbO32" +mp-1038363,HfMg30SbO32,-6.3192199072,-2.8756475552,0.1759836272,0.1759836272,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Sb, expected HfMg110SbO72 to be HfMg30SbO32" +mp-1033234,HfMg6SbO8,-6.376353575,-2.4225173088,0.6218865227,0.6218865227,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Sb, expected HfMg6SbO12 to be HfMg6SbO8" +mp-1033278,HfMg6SbO8,-6.4527188406,-2.4988825744,0.545521257,0.545521257,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Sb, expected HfMg6SbO12 to be HfMg6SbO8" +mp-1033754,HfMg14SbO16,-6.3316327434,-2.71797242,0.3312496454,0.3312496454,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Sb, expected HfMg18SbO20 to be HfMg14SbO16" +mp-1033684,HfMg14SbO16,-6.3238315594,-2.7101712359,0.3390508295,0.3390508295,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Sb, expected HfMg30SbO32 to be HfMg14SbO16" +mp-1217292,Ti3TePb4O13,-7.444329209,-2.3973138057,0.0017013761,0.0017013761,GGA,R3m,A13B4CD3_hR63_160_a4b_ab_a_b:O-Pb-Te-Ti,21.0,"Invalid WP multiplicities - A13B4CD3_hR63_160_a12b_ab_a_b:O-Pb-Te-Ti, expected Ti3TePb4O37 to be Ti3TePb4O13" +mp-1105130,PrInO3,-7.3359782035,-2.8614470797,0.0053963184,0.0053963184,GGA,Pnma,AB3C_oP20_62_a_cd_c:In-O-Pr,20.0,AB3C_oP20_62_a_cd_c:In-O-Pr +mp-21135,Pr3InO,-5.929620028,-1.5214020867,0.0,-0.0653810314,GGA,Pm-3m,ABC3_cP5_221_a_b_c:In-O-Pr,5.0,ABC3_cP5_221_a_b_c:In-O-Pr +mp-505177,TiIn2O5,-7.3173172428,-2.5507793637,0.0112947109,0.0112947109,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:In-O-Ti,32.0,A2B5C_oP32_62_2c_5c_c:In-O-Ti +mp-1324601,Zn3Si3(AgO6)2,-6.1007950865,-1.8467670134,0.26854028,0.26854028,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Ag-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Ag-O-Si-Zn +mp-9359,ZnSi(AgO2)2,-5.7845601775,-1.767444116,0.0373636306,0.0373636306,GGA,Pc,A2B4CD_mP16_7_2a_4a_a_a:Ag-O-Si-Zn,16.0,"Invalid WP multiplicities - A2B4CD_mP16_7_2a_6a_a_a:Ag-O-Si-Zn, expected ZnSi(AgO3)2 to be ZnSi(AgO2)2" +mp-1263117,Zn3Si4(AgO7)2,-6.5316841076,-2.1664990244,0.0991636772,0.0991636772,GGA,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Ag-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Ag-O-Si-Zn, expected Zn3Si5AgO27 to be Zn3Si4(AgO7)2" +mp-1210006,NaLiTm2F8,-6.3333716346,-4.0437924057,0.0,-0.2778920996,GGA,Cmcm,A8BCD2_oC48_63_2cgh_a_c_g:F-Li-Na-Tm,24.0,"Invalid WP multiplicities - A8BCD2_oC48_63_2cg2h_a_c_g:F-Li-Na-Tm, expected NaLiTm2F12 to be NaLiTm2F8" +mp-1210968,LiTmF2,-5.0966071869,-2.5446781306,0.4125394753,0.4125394753,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Tm,16.0,A2BC_tI32_141_h_c_d:F-Li-Tm +mp-1112114,Cs2RbYCl6,-4.535227884,-2.502324895,0.0061696403,0.0061696403,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Rb-Y +mp-1113327,CsRb2YCl6,-4.465259031,-2.423842872,0.082511758,0.082511758,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-Rb-Y +mp-1112925,Cs2GaAuI6,-2.709825615,-1.0165275283,0.0852479552,0.0852479552,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Au-Cs-Ga-I,10.0,AB2CD6_cF40_225_a_c_b_e:Au-Cs-Ga-I +mp-1114197,Cs3GaI6,-2.744750305,-1.2893001811,0.0959992608,0.0959992608,GGA,Fm-3m,A3BC6_cF40_225_ac_b_e:Cs-Ga-I,10.0,A3BC6_cF40_225_ac_b_e:Cs-Ga-I +mp-1111976,Cs2NbTlF6,-5.366029713,-2.7936670394,0.1297437427,0.1297437427,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Nb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Nb-Tl +mp-1112753,Cs2KNdCl6,-4.372469605,-2.4964124966,0.0109718229,0.0109718229,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Nd +mp-1234150,MgTl6Si2O7,-5.5471117619,-1.7187620138000002,0.2806356922,0.2806356922,GGA,P1,AB7C2D6_aP16_1_a_7a_2a_6a:Mg-O-Si-Tl,16.0,AB7C2D6_aP16_1_a_7a_2a_6a:Mg-O-Si-Tl +mp-1185613,MgTlO3,-4.965142634,-1.2045447679,0.5694374876,0.5694374876,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Tl,5.0,AB3C_cP5_221_b_c_a:Mg-O-Tl +mp-1110893,K2NaNdCl6,-4.337148445,-2.396879387,0.0645597548,0.0645597548,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Nd +mp-1185490,LuPdO3,-6.662980226,-1.7548005332,0.6842253166000001,0.6842253166000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Lu-O-Pd,5.0,AB3C_cP5_221_a_c_b:Lu-O-Pd +mp-17662,Lu2PdO4,-7.9830523143,-3.1246897864,0.0474721716,0.0474721716,GGA,Cmce,A2B4C_oC28_64_d_ef_a:Lu-O-Pd,14.0,A2B4C_oC28_64_d_ef_a:Lu-O-Pd +mp-6533,NaLu(Pd3O4)2,-6.22907007,-1.4480527973,0.0,-0.0168422137,GGA,Pm-3,ABC8D6_cP16_200_a_b_i_f:Lu-Na-O-Pd,16.0,ABC8D6_cP16_200_a_b_i_f:Lu-Na-O-Pd +mp-1192228,Ho2Mn12P7,-8.1884697138,-0.7121783428,0.0,-0.038315323,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ho-Mn-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Ho-Mn-P +mp-1224054,Ho4Cu5P7,-5.6031911069,-0.8082669583000001,0.0462497184,0.0462497184,GGA,I-42m,A5B4C7_tI32_121_ade_i_bci:Cu-Ho-P,16.0,A5B4C7_tI32_121_ade_i_bci:Cu-Ho-P +mp-30195,HoCuP2,-5.7479504163,-0.8708952779,0.0,-0.0234470847,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Cu-Ho-P,8.0,ABC2_tP8_129_a_c_bc:Cu-Ho-P +mp-1195405,HoMnCu4P3,-5.6186525436,-0.4651905034,0.0588362908,0.0588362908,GGA,Pnma,A4BCD3_oP36_62_4c_c_c_3c:Cu-Ho-Mn-P,36.0,A4BCD3_oP36_62_4c_c_c_3c:Cu-Ho-Mn-P +mp-1112380,K2CuMoCl6,-4.362159539,-1.5364720756,0.079257613,0.079257613,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Mo,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Mo +mp-1101250,TlInO2,-5.245100745,-1.4931746702,0.0631179956,0.0631179956,GGA,R-3m,AB2C_hR12_166_a_c_b:In-O-Tl,4.0,AB2C_hR12_166_a_c_b:In-O-Tl +mp-557583,TlInAs2O7,-6.1964663782,-1.7365223177,0.0,-0.1073691886,GGA,P-1,A2BC7D_aP44_2_4i_2i_14i_2i:As-In-O-Tl,44.0,"Invalid WP multiplicities - A2BC7D_aP44_2_8i_2i_27i_2i:As-In-O-Tl, expected Tl2In2As8O27 to be TlInAs2O7" +mp-1110896,K2NaBiCl6,-3.744600364,-1.8970971363,0.0,-0.0101610845,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Na +mp-1206178,Sr2ScReO6,-8.252222288,-3.0686107416,0.011357919,0.011357919,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:O-Re-Sc-Sr,10.0,A6BCD2_cF40_225_e_a_b_c:O-Re-Sc-Sr +mp-1220577,Nd3GdZr4O14,-9.4932342109,-3.5011883466,0.3440878409,0.3440878409,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Gd-Nd-O-Zr,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c9h_be:Gd-Nd-O-Zr, expected Nd3GdZr4O56 to be Nd3GdZr4O14" +mp-675571,Gd2Zr2O7,-10.8322088782,-3.5708937219,0.2807127823,0.2807127823,GGA,P1,A2B7C2_aP33_1_6a_21a_6a:Gd-O-Zr,33.0,A2B7C2_aP33_1_6a_21a_6a:Gd-O-Zr +mp-780342,Gd2Zr2O7,-11.0337411795,-3.7724260233,0.0791804809,0.0791804809,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Gd-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_mP44_14_3e_27e_3e:Gd-O-Zr, expected GdZrO9 to be Gd2Zr2O7" +mp-35735,Gd2Zr2O7,-11.0277725514,-3.7664573951,0.0851491091,0.0851491091,GGA,Pmna,A2B7C2_oP44_53_acg_3h2i_bdg:Gd-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_oP44_53_2ac3g_10h11i_2b2d2g:Gd-O-Zr, expected Gd9Zr8O64 to be Gd2Zr2O7" +mp-1224817,Gd2Zr2O7,-10.9310101795,-3.6696950233,0.1819114809,0.1819114809,GGA,Imma,A2B7C2_oI44_74_ab_3ej_cd:Gd-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ab_5e4j_cd:Gd-O-Zr, expected Gd2Zr2O21 to be Gd2Zr2O7" +mp-757233,Gd2Zr2O7,-11.1085847868,-3.8472696306,0.0043368736,0.0043368736,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Gd-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Gd-O-Zr, expected GdZrO10 to be Gd2Zr2O7" +mp-510605,Gd2Zr2O7,-10.8401220864,-3.5788069301,0.2727995741,0.2727995741,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Gd-O-Zr,22.0,A2B7C2_cF88_227_d_af_c:Gd-O-Zr +mp-676108,Gd8Zr7O26,-11.0945990137,-3.7517505058,0.1025735999,0.1025735999,GGA,C2/m,A8B26C7_mC82_12_bcefi_5i4j_aij:Gd-O-Zr,41.0,"Invalid WP multiplicities - A8B26C7_mC82_12_bc2ef2i_10i14j_a2i2j:Gd-O-Zr, expected Gd12Zr13O76 to be Gd8Zr7O26" +mp-1184599,GdZrO3,-10.773722312,-3.2809445112,0.3928651062,0.3928651062,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Gd-O-Zr,5.0,AB3C_cP5_221_a_c_b:Gd-O-Zr +mp-1216941,U2MnFeSe6,-7.185401052,-1.0663685132,0.0256724335,0.0256724335,GGA,C2/m,ABC6D2_mC20_12_a_c_3i_i:Fe-Mn-Se-U,,ABC6D2_mC20_12_a_d_3i_i:Fe-Mn-Se-U +mp-1216584,UMnFe,-9.72143167,-0.0802828326,0.0,-0.0063634458,GGA,Imma,ABC_oI12_74_a_c_e:Fe-Mn-U,6.0,ABC_oI12_74_a_c_e:Fe-Mn-U +mp-1188676,U2FeSe5,-7.1756595706,-1.1091097433,0.1076248763,0.1076248763,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Fe-Se-U,16.0,AB5C2_mC32_15_a_e2f_f:Fe-Se-U +mp-1221940,Mn2FeSe3,-6.4923106933,-0.2786796555,0.286137435,0.286137435,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Fe-Mn-Se,6.0,AB2C3_hP6_164_a_d_bd:Fe-Mn-Se +mp-1193584,U8FeSe17,-7.4661458335,-1.38030751,0.0,-0.0011998829,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Fe-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Fe-Se-U +mp-1079562,UFeSe3,-7.019360324,-0.9695271934,0.1054442545,0.1054442545,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Fe-Se-U,10.0,AB3C_oC20_63_a_cf_c:Fe-Se-U +mp-1214448,Ba8Sc3(Pt2O9)2,-7.1414382594,-2.6664644134,0.0,-0.0174274424,GGA,Pm-3m,A8B18C4D3_cP33_221_g_eh_ac_d:Ba-O-Pt-Sc,33.0,A8B18C4D3_cP33_221_g_eh_ac_d:Ba-O-Pt-Sc +mp-778152,Sc2Pt2O7,-7.7596595177,-2.3565662606,0.0,-0.0463673515,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Sc,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pt-Sc, expected ScPtO10 to be Sc2Pt2O7" +mp-1213812,CeCdO3,-7.0651081545,-2.7258991447,0.1778267175,0.1778267175,GGA,Cmcm,ABC3_oC40_63_2c_d_efg:Cd-Ce-O,20.0,ABC3_oC40_63_2c_d_efg:Cd-Ce-O +mp-1213940,Ce2CdAs2O,-5.027676845,-0.5186779131,1.2132984227,1.2132984227,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Cd-Ce-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Cd-Ce-O +mp-10316,CeCdAsO,-5.9821339675,-1.8666874597,0.0166636691,0.0166636691,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Cd-Ce-O,8.0,ABCD_tP8_129_c_a_c_b:As-Cd-Ce-O +mp-1228105,Ce(CdAs)3,-3.7095032136,-0.469629835,0.0048019692,0.0048019692,GGA,Ama2,A3B3C_oC28_40_bc_bc_a:As-Cd-Ce,14.0,A3B3C_oC28_40_bc_bc_a:As-Cd-Ce +mp-1195838,CsCa(SeO4)3,-5.6080044412,-1.3286514282,0.1059992894,0.1059992894,GGA,P2_1/m,ABC12D3_mP34_11_e_e_6e3f_3e:Ca-Cs-O-Se,34.0,ABC12D3_mP34_11_e_e_6e3f_3e:Ca-Cs-O-Se +mp-753803,Cs2CaO2,-4.680817975,-1.9428615657,0.093233115,0.093233115,GGA,Pbcn,AB2C2_oP20_60_c_d_d:Ca-Cs-O,20.0,AB2C2_oP20_60_c_d_d:Ca-Cs-O +mp-984240,CsCaO3,-5.034596532,-1.4863828548,0.424696734,0.424696734,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ca-Cs-O,5.0,ABC3_cP5_221_b_a_c:Ca-Cs-O +mp-980108,Sm2MgIrO6,-7.8707055635,-2.9151036868,0.0055846061,0.0055846061,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Mg-O-Sm,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_9e_e:Ir-Mg-O-Sm, expected Sm2MgIrO18 to be Sm2MgIrO6" +mp-1208958,Sm4MgIr,-5.2745151329,-0.3890053379,0.0,-0.0247258696,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ir-Mg-Sm,24.0,ABC4_cF96_216_e_e_efg:Ir-Mg-Sm +mp-978624,Sm2MgIr,-5.3300228525,-0.3610512275,0.1337823912,0.1337823912,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mg-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Mg-Sm +mp-1195439,Ba2UTiTe7,-5.3851984868,-1.2917445632,0.0131685632,0.0131685632,GGA,Pnma,A2B7CD_oP44_62_2c_3c2d_a_c:Ba-Te-Ti-U,44.0,A2B7CD_oP44_62_2c_3c2d_a_c:Ba-Te-Ti-U +mp-1197369,K16Na9(Tl6Cd)3,-1.7555239073000002,-0.1258422396,0.0,-0.0113325882,GGA,P6_3/mmc,A3B16C9D18_hP92_194_h_ch2k_gk_e2f2k:Cd-K-Na-Tl,92.0,A3B16C9D18_hP92_194_h_ch2k_gk_e2f2k:Cd-K-Na-Tl +mp-1211804,K6Na14Tl18Cd,-1.8804514123,-0.1207536126,0.0,-0.001857529,GGA,Pm-3,AB6C14D18_cP39_200_b_f_gi_ek:Cd-K-Na-Tl,39.0,AB6C14D18_cP39_200_b_f_gi_ek:Cd-K-Na-Tl +mp-1096423,Na2TlCd,-0.7521248325000001,0.7305210409,0.8311656006,0.8311656006,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Na-Tl,4.0,AB2C_oI8_71_a_e_b:Cd-Na-Tl +mp-1095721,K2NaCd,-0.585495995,0.5310572419,0.5633696243,0.5633696243,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-K-Na,4.0,AB2C_oI8_71_a_e_b:Cd-K-Na +mp-1096458,NaTlCd2,-0.62075333,0.7619836600000001,0.8453862245,0.8453862245,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Na-Tl,4.0,A2BC_oI8_71_e_a_b:Cd-Na-Tl +mp-569896,K14(Tl7Cd3)3,-1.7884450061,-0.1187382066,0.0001413044,0.0001413044,GGA,P-62m,A9B14C21_hP44_189_fj_d2i_egh2i:Cd-K-Tl,44.0,"Invalid WP multiplicities - A9B14C21_hP44_189_3f3j_2d10i_2e3g4h9i:Cd-K-Tl, expected K64Tl83Cd27 to be K14(Tl7Cd3)3" +mp-865127,NaTl2Cd,-1.8247133425,-0.0820380058,0.0,-0.0001034085,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Cd-Na-Tl +mp-1227197,CeNd3(Fe14B)2,-8.0239261172,-0.0604876209,0.0083378996,0.0083378996,GGA,Cmmm,A2BC28D3_oC136_65_gj_h_efkl2n2o4r_gij:B-Ce-Fe-Nd,68.0,"Invalid WP multiplicities - A2BC28D3_oC136_65_gj_h_2e2f2k2l4n4o16r_gij:B-Ce-Fe-Nd, expected CeNd3(Fe44B)2 to be CeNd3(Fe14B)2" +mp-1006322,Ce(FeB)4,-7.8851091261,-0.4928045619,0.0,-0.0950236251,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Ce-Fe,18.0,A4BC4_tP18_86_g_a_g:B-Ce-Fe +mp-1213808,CeFeB4,-7.4094517783,-0.5560055369,0.0211376383,0.0211376383,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ce-Fe,24.0,A4BC_oP24_55_4h_g_g:B-Ce-Fe +mp-1105171,Ce5(FeB3)2,-7.1138902815,-0.4460565262,0.0,-0.0340294304,GGA,R-3m,A6B5C2_hR39_166_f_b2c_c:B-Ce-Fe,13.0,A6B5C2_hR39_166_f_b2c_c:B-Ce-Fe +mp-4459,Ce2Fe14B,-8.1373030651,-0.0710755933,0.0193582513,0.0193582513,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:B-Ce-Fe,68.0,AB2C14_tP68_136_f_fg_ce2j2k:B-Ce-Fe +mp-1104452,Ce4(FeB2)3,-7.2711189723,-0.4081365973,0.0531301064,0.0531301064,GGA,R-3m,A6B4C3_hR39_166_f_2c_bc:B-Ce-Fe,13.0,A6B4C3_hR39_166_f_2c_bc:B-Ce-Fe +mp-1199182,KCu2SbSe3,-4.0628088363,-0.6448734134,0.0057149293,0.0057149293,GGA,P2_1/c,A2BCD3_mP56_14_4e_2e_2e_6e:Cu-K-Sb-Se,56.0,A2BCD3_mP56_14_4e_2e_2e_6e:Cu-K-Sb-Se +mp-1211456,La2ZrCuO6,-8.4803457397,-3.260440362,0.049515326,0.049515326,GGA,P2_1/m,AB2C6D_mP40_11_ab_4e_4e4f_cd:Cu-La-O-Zr,40.0,AB2C6D_mP40_11_ac_4e_4e4f_bd:Cu-La-O-Zr +mp-1097057,La3Zr2Cu7O12,-7.24368844,-2.245432865,0.2368715612,0.2368715612,GGA,I4_1/acd,A7B3C12D2_tI192_142_afg_be_3g_c:Cu-La-O-Zr,96.0,A7B3C12D2_tI192_142_afg_be_3g_c:Cu-La-O-Zr +mp-1216249,Y3Mn3Ga2Si,-6.8310855233000005,-0.3458667132,0.1388555682,0.1388555682,GGA,P-6,A2B3CD3_hP9_174_ad_j_e_k:Ga-Mn-Si-Y,9.0,A2B3CD3_hP9_174_ad_j_e_k:Ga-Mn-Si-Y +mp-1226187,Cs3Rb5(SeO4)4,-5.4013218096,-1.8041952822,0.0010334713,0.0010334713,GGA,Pm,A3B16C5D4_mP28_6_2ab_4a4b4c_2a3b_2a2b:Cs-O-Rb-Se,28.0,"Invalid WP multiplicities - A3B16C5D4_mP28_6_2ab_4a4b8c_2a3b_2a2b:Cs-O-Rb-Se, expected Cs3Rb5(SeO6)4 to be Cs3Rb5(SeO4)4" +mp-754207,Tb2Mn2O7,-8.5404641636,-2.8841383670000003,0.0,-0.0497692416,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Tb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Mn-O-Tb, expected TbMnO10 to be Tb2Mn2O7" +mp-573037,Tb2MnNiO6,-8.2406818845,-2.8515802405,0.0,-0.0254739846,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Ni-O-Tb,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_11e_e:Mn-Ni-O-Tb, expected Tb2MnNiO22 to be Tb2MnNiO6" +mp-22055,TbMnO3,-8.7593693125,-3.0320798073,0.0,-0.0153362001,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Tb +mp-1188379,TbMnO3,-8.445132788,-2.7178432828,0.3142365245,0.2989003244,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Tb,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Tb +mp-18525,TbMn2O5,-8.6136302466,-2.6521502165,0.0,-0.039716583,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Tb,32.0,A2B5C_oP32_55_eg_fghi_h:Mn-O-Tb +mp-755865,TbNiO3,-7.545764436,-2.4948506532,0.0,-0.0138562797,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ni-O-Tb, expected TbNiO7 to be TbNiO3" +mp-770347,TbNiO3,-7.504032711,-2.4531189282,0.041731725,0.0278754453,GGA+U,R-3c,AB3C_hR30_167_b_e_a:Ni-O-Tb,10.0,AB3C_hR30_167_b_e_a:Ni-O-Tb +mp-1187352,TbNiO3,-7.347095932,-2.2961821492,0.198668504,0.1848122243,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Tb,5.0,AB3C_cP5_221_b_c_a:Ni-O-Tb +mp-1013797,Na3Ge3(MoO6)2,-7.0299943375,-2.0855831275,0.0379650842,0.0379650842,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Ge-Mo-Na-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Ge-Mo-Na-O +mp-1204648,Na3GeMo3O19,-6.1877566148,-0.9910397079,0.5870687663,0.5870687663,GGA+U,P-1,AB3C3D19_aP52_2_i_3i_3i_19i:Ge-Mo-Na-O,52.0,AB3C3D19_aP52_2_i_3i_3i_19i:Ge-Mo-Na-O +mp-1222630,Li3FeIrO5,-6.5813670625,-1.8045003079,0.0139953693,0.0139953693,GGA+U,P-1,ABC3D5_aP20_2_i_i_ac2i_5i:Fe-Ir-Li-O,20.0,"Invalid WP multiplicities - ABC3D5_aP20_2_i_i_ac4i_10i:Fe-Ir-Li-O, expected Li5FeIrO10 to be Li3FeIrO5" +mp-1222691,Li5Fe2(IrO5)2,-6.6618540437,-1.7340428739,0.015523042,0.015523042,GGA+U,C2,A2B2C5D10_mC38_5_2a_2a_a4b_5c:Fe-Ir-Li-O,19.0,"Invalid WP multiplicities - A2B2C5D10_mC38_5_2a_2a_a4b_10c:Fe-Ir-Li-O, expected Li5Fe2(IrO10)2 to be Li5Fe2(IrO5)2" +mp-605863,AgSbPbS3,-4.3550747,-0.5078157143,0.048208205,0.048208205,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Ag-Pb-S-Sb,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_10e_e:Ag-Pb-S-Sb, expected AgSbPbS10 to be AgSbPbS3" +mp-560848,AgSbPbS3,-4.3868444183,-0.5395854327,0.0164384867,0.0164384867,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Ag-Pb-S-Sb,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_8e_e:Ag-Pb-S-Sb, expected AgSbPbS8 to be AgSbPbS3" +mp-1229064,AgSbPbS3,-4.342021245,-0.4947622593,0.06126166,0.06126166,GGA,Imm2,ABC3D_oI12_44_a_a_3b_a:Ag-Pb-S-Sb,6.0,ABC3D_oI12_44_a_a_3b_a:Ag-Pb-S-Sb +mp-1229311,Ag5Sb23(PbS4)12,-4.5711321138,-0.5685052162,0.0226663054,0.0226663054,GGA,P1,A5B12C48D23_aP88_1_5a_12a_48a_23a:Ag-Pb-S-Sb,88.0,A5B12C48D23_aP88_1_5a_12a_48a_23a:Ag-Pb-S-Sb +mp-1229272,AgSb3PbS6,-4.4150178427,-0.4376627523,0.1191978152,0.1191978152,GGA,Pc,ABC6D3_mP22_7_a_a_6a_3a:Ag-Pb-S-Sb,22.0,"Invalid WP multiplicities - ABC6D3_mP22_7_a_a_7a_5a:Ag-Pb-S-Sb, expected AgSb5PbS7 to be AgSb3PbS6" +mp-1229291,AgSb3PbS6,-4.3894571664,-0.4121020759,0.1447584916,0.1447584916,GGA,Pc,ABC6D3_mP22_7_a_a_6a_3a:Ag-Pb-S-Sb,22.0,"Invalid WP multiplicities - ABC6D3_mP22_7_a_a_7a_5a:Ag-Pb-S-Sb, expected AgSb5PbS7 to be AgSb3PbS6" +mp-1236920,AgSb3PbS6,-4.4227059518,-0.4453508614,0.1115097061,0.1115097061,GGA,Pc,ABC6D3_mP22_7_a_a_6a_3a:Ag-Pb-S-Sb,22.0,"Invalid WP multiplicities - ABC6D3_mP22_7_a_a_7a_5a:Ag-Pb-S-Sb, expected AgSb5PbS7 to be AgSb3PbS6" +mp-1198276,AgSb3PbS6,-4.526073008,-0.5487179176,0.0081426499,0.0081426499,GGA,P2_1/c,ABC6D3_mP176_14_4e_4e_24e_12e:Ag-Pb-S-Sb,176.0,ABC6D3_mP176_14_4e_4e_24e_12e:Ag-Pb-S-Sb +mp-1229157,AgSb3PbS6,-4.4946814823,-0.5173263919000001,0.0395341757,0.0395341757,GGA,Cmc2_1,ABC6D3_oC44_36_a_a_6a_3a:Ag-Pb-S-Sb,22.0,"Invalid WP multiplicities - ABC6D3_oC44_36_a_a_8a_4a:Ag-Pb-S-Sb, expected AgSb4PbS8 to be AgSb3PbS6" +mp-1229081,AgSb(PbS2)2,-4.4026015638,-0.5360202074,0.0771287887,0.0771287887,GGA,I4/mmm,AB2C4D_tI16_139_a_d_ce_b:Ag-Pb-S-Sb,8.0,"Invalid WP multiplicities - AB2C4D_tI16_139_a_d_2c2e_b:Ag-Pb-S-Sb, expected AgSb(PbS4)2 to be AgSb(PbS2)2" +mp-1189242,Dy3GaS6,-6.200054811,-2.0333392366,0.0,-0.0146769218,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Dy-Ga-S,20.0,A3BC6_oC40_36_ab_a_2a2b:Dy-Ga-S +mp-1225468,Dy4FeS7,-6.6184104225,-1.9640506193,0.1373714396,0.1373714396,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Dy-Fe-S,12.0,A4BC7_mC24_8_4a_a_7a:Dy-Fe-S +mp-1192184,Dy3GaFeS7,-6.2814755325,-1.7586732974,0.0620952254,0.0620952254,GGA,P6_3,A3BCD7_hP24_173_c_a_b_b2c:Dy-Fe-Ga-S,24.0,A3BCD7_hP24_173_c_a_b_b2c:Dy-Fe-Ga-S +mp-1343733,AlAgO3,-6.0240798,-1.7404402066,0.2173136626,0.2173136626,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ag-Al-O,20.0,ABC3_oP20_62_a_c_cd:Ag-Al-O +mp-1253488,AlAgO3,-6.0475763135,-1.7639367201,0.1938171491,0.1938171491,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ag-Al-O,20.0,ABC3_oP20_62_a_c_cd:Ag-Al-O +mp-1343327,AlAgO3,-5.9073624907,-1.6237228973,0.334030972,0.334030972,GGA,P6_3cm,ABC3_hP30_185_c_ab_ab2c:Ag-Al-O,30.0,ABC3_hP30_185_c_ab_ab2c:Ag-Al-O +mp-1404877,AlAgO3,-5.667360678,-1.3837210846,0.5740327846000001,0.5740327846000001,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Ag-Al-O,10.0,ABC3_hP10_194_c_a_bf:Ag-Al-O +mp-1418444,AlAgO3,-4.537316028,-0.2536764346,1.7040774346,1.7040774346,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ag-Al-O,5.0,ABC3_cP5_221_b_a_c:Ag-Al-O +mp-1183169,AlAgO3,-5.90149902,-1.6178594266,0.3398944426,0.3398944426,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Al-O,5.0,ABC3_cP5_221_a_b_c:Ag-Al-O +mp-849760,Al11AgO17,-7.6671555195,-3.2489624773,0.0354295933,0.0354295933,GGA,Ama2,AB11C17_oC116_40_b_a5c_b8c:Ag-Al-O,58.0,"Invalid WP multiplicities - AB11C17_oC116_40_b_a15c_2b17c:Ag-Al-O, expected Al31AgO36 to be Al11AgO17" +mp-766293,Al11AgO17,-7.6674949247,-3.2493018824,0.0350901882,0.0350901882,GGA,Cmcm,AB11C17_oC116_63_c_a3fh_c4f2h:Ag-Al-O,58.0,"Invalid WP multiplicities - AB11C17_oC116_63_c_a10f3h_2c9f10h:Ag-Al-O, expected Al33AgO60 to be Al11AgO17" +mp-27863,AlClO,-6.2992144367,-2.7856140362,0.0,-0.0078558033,GGA,Pmmn,ABC_oP6_59_b_a_a:Al-Cl-O,6.0,ABC_oP6_59_b_a_a:Al-Cl-O +mp-572634,Al2AgCl5O,-4.7303604403,-2.0066849209,0.0,-0.0413672419,GGA,Pbca,AB2C5D_oP72_61_c_2c_5c_c:Ag-Al-Cl-O,72.0,"Invalid WP multiplicities - AB2C5D_oP72_61_c_11c_33c_c:Ag-Al-Cl-O, expected Al11AgCl33O to be Al2AgCl5O" +mp-11794,AlAgO2,-6.3615977312,-2.2437204173,0.064388245,0.0543606708,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ag-Al-O,16.0,ABC2_oP16_33_a_a_2a:Ag-Al-O +mp-1239228,AlAgO2,-6.0950748095,-1.9771974955,0.3309111668,0.3208835926,GGA,Pbcn,ABC2_oP128_60_ac3d_4d_8d:Ag-Al-O,128.0,"Invalid WP multiplicities - ABC2_oP128_60_3a3c19d_27d_58d:Ag-Al-O, expected Al27(Ag11O29)2 to be AlAgO2" +mp-1096824,AlAgO2,-6.3445476025,-2.2266702885,0.0814383738,0.0714107995,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Al-O,4.0,ABC2_hR12_160_a_a_2a:Ag-Al-O +mp-9631,AlAgO2,-6.4259859762,-2.3081086623,0.0,-0.0100275742,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Al-O,8.0,ABC2_hP8_194_c_a_f:Ag-Al-O +mp-1183009,Al(ClO2)3,-4.4151267935,-0.5179949857,0.5975292702,0.5975292702,GGA,C2/c,AB3C6_mC40_15_a_ef_3f:Al-Cl-O,20.0,"Invalid WP multiplicities - AB3C6_mC40_15_a_2e3f_12f:Al-Cl-O, expected Al(ClO3)8 to be Al(ClO2)3" +mp-1188939,Al(ClO2)3,-4.8095025265,-0.9123707187,0.2031535372,0.2031535372,GGA,R-3c,AB3C6_hR60_167_b_e_f:Al-Cl-O,20.0,AB3C6_hR60_167_b_e_f:Al-Cl-O +mp-776199,AgClO3,-4.3039971470000005,-0.3997653876,0.0486049455,0.0486049455,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ag-Cl-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_9e:Ag-Cl-O, expected AgClO9 to be AgClO3" +mp-27941,AgClO3,-4.314317366,-0.4100856066,0.0382847265,0.0382847265,GGA,I4/m,ABC3_tI40_87_de_h_hi:Ag-Cl-O,20.0,ABC3_tI40_87_de_h_hi:Ag-Cl-O +mp-1178561,AgClO3,-4.259784518,-0.3555527586,0.0928175745,0.0928175745,GGA,R3m,ABC3_hR15_160_a_a_b:Ag-Cl-O,5.0,ABC3_hR15_160_a_a_b:Ag-Cl-O +mp-775761,AgClO3,-4.32101794,-0.4167861806,0.0315841525,0.0315841525,GGA,P2_13,ABC3_cP20_198_a_a_b:Ag-Cl-O,20.0,ABC3_cP20_198_a_a_b:Ag-Cl-O +mp-1101933,AgClO4,-4.450915775,-0.3729411903,0.0437055783,0.0025733648,GGA,P2_1/m,ABC4_mP12_11_e_e_2ef:Ag-Cl-O,12.0,ABC4_mP12_11_e_e_2ef:Ag-Cl-O +mp-1191267,AgClO4,-4.4691204763,-0.3911458915,0.0255008771,-0.0156313365,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ag-Cl-O,24.0,ABC4_oP24_62_c_c_2cd:Ag-Cl-O +mp-22993,AgClO4,-4.4946213533,-0.4166467686,0.0,-0.0411322135,GGA,I-42m,ABC4_tI12_121_a_b_i:Ag-Cl-O,6.0,ABC4_tI12_121_a_b_i:Ag-Cl-O +mp-551758,AgClO4,-4.3780282967,-0.3000537119,0.1165930567,0.0754608431,GGA,F-43m,ABC4_cF24_216_a_b_e:Ag-Cl-O,6.0,ABC4_cF24_216_a_b_e:Ag-Cl-O +mp-996984,AgClO2,-3.918788305,-0.2751707835,0.2207848963,0.2207848963,GGA,P1,ABC2_aP4_1_a_a_2a:Ag-Cl-O,4.0,ABC2_mC8_8_a_a_2a:Ag-Cl-O +mp-675942,AgClO2,-3.8077472837,-0.1641297623,0.3318259175,0.3318259175,GGA,P1,ABC2_aP8_1_2a_2a_4a:Ag-Cl-O,8.0,ABC2_aP8_1_2a_2a_4a:Ag-Cl-O +mp-997013,AgClO2,-3.9100391912,-0.2664216698,0.22953401,0.22953401,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ag-Cl-O,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Ag-Cl-O, expected AgClO3 to be AgClO2" +mp-997017,AgClO2,-3.8894137588,-0.2457962373,0.2501594425,0.2501594425,GGA,C2/m,ABC2_mC16_12_i_i_j:Ag-Cl-O,8.0,ABC2_mC16_12_i_i_j:Ag-Cl-O +mp-997016,AgClO2,-3.903221995,-0.2596044735,0.2363512063,0.2363512063,GGA,C2/c,ABC2_mC16_15_c_e_f:Ag-Cl-O,8.0,ABC2_mC16_15_a_e_f:Ag-Cl-O +mp-22959,AgClO2,-3.8756261469,-0.2320086254,0.2639470544,0.2639470544,GGA,Pcca,ABC2_oP16_54_c_c_f:Ag-Cl-O,16.0,ABC2_oP16_54_c_c_f:Ag-Cl-O +mp-1101631,AgClO2,-3.5974753838,0.0461421377,0.5420978175,0.5420978175,GGA,Cmce,ABC2_oC16_64_a_b_f:Ag-Cl-O,8.0,ABC2_oC16_64_a_b_f:Ag-Cl-O +mp-552169,AgClO2,-3.7389071375,-0.095289616,0.4006660638,0.4006660638,GGA,Cmme,ABC2_oC16_67_g_g_m:Ag-Cl-O,8.0,ABC2_oC16_67_g_g_m:Ag-Cl-O +mp-1079156,AgClO2,-3.6972787,-0.0536611785,0.4422945013,0.4422945013,GGA,Cmme,ABC2_oC16_67_g_g_m:Ag-Cl-O,8.0,ABC2_oC16_67_g_g_m:Ag-Cl-O +mp-1113539,Cs2CoAgF6,-4.646392641,-2.3263374063,0.0431195919,0.0431195919,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Co-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Co-Cs-F +mp-8683,K5As2Au,-2.7084291813,-0.4404149881,0.0,-0.0831193776,GGA,P6_3/mmc,A2BC5_hP16_194_f_c_def:As-Au-K,16.0,A2BC5_hP16_194_f_c_def:As-Au-K +mp-1112435,K2AsAuBr6,-3.168749064,-1.2215522361,0.0715260994,0.0715260994,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Br-K +mp-1104125,Y2CdSe4,-5.765200925,-1.788132654,0.0129886093,0.0129886093,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-Se-Y,14.0,AB4C2_cF56_227_a_e_d:Cd-Se-Y +mp-11116,CsYCdSe3,-4.7247607175,-1.5960111044,0.0,-0.0474176776,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Cd-Cs-Se-Y +mp-570117,ErTlSe2,-5.08972573,-1.609179502,0.0,-0.0900835537,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-Se-Tl,4.0,AB2C_hR12_166_a_c_b:Er-Se-Tl +mp-1195632,ErTl2P2Se7,-4.5679713008,-0.8520554291,0.0,-0.0058049854,GGA,C2/c,AB2C7D2_mC96_15_f_2f_7f_2f:Er-P-Se-Tl,48.0,AB2C7D2_mC96_15_f_2f_7f_2f:Er-P-Se-Tl +mp-1105213,ErTl(PSe3)2,-4.7713762685,-0.8981326849,0.0,-0.0251795884,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:Er-P-Se-Tl,20.0,AB2C6D_mP20_4_a_2a_6a_a:Er-P-Se-Tl +mp-1209068,ReNiO4,-8.1222039492,-1.7869674975,0.0669408377,0.0669408377,GGA+U,C2/m,AB4C_mC24_12_i_2ij_g:Ni-O-Re,12.0,AB4C_mC24_12_i_2ij_g:Ni-O-Re +mp-1219614,Re3NiO8,-8.7110697542,-1.8204674271,0.0825550843,0.0825550843,GGA+U,Cm,AB8C3_mC24_8_a_4a2b_ab:Ni-O-Re,12.0,AB8C3_mC24_8_a_4a2b_ab:Ni-O-Re +mp-1205510,ReNi(PbO3)2,-7.159788367,-1.6267793398,0.0959654831,0.0959654831,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ni-O-Pb-Re,10.0,AB6C2D_cF40_225_a_e_c_b:Ni-O-Pb-Re +mp-1173437,Re2NiO6,-8.5170645367,-1.8115841681,0.0873847033,0.0873847033,GGA+U,P-1,AB6C2_aP36_2_2i_12i_4i:Ni-O-Re,36.0,"Invalid WP multiplicities - AB6C2_aP36_2_2i_22i_6i:Ni-O-Re, expected Re3NiO11 to be Re2NiO6" +mp-1357486,Re2NiO6,-6.7630488017,-0.0575684331,1.8414004383,1.8414004383,GGA+U,P-1,AB6C2_aP36_2_2i_12i_4i:Ni-O-Re,36.0,"Invalid WP multiplicities - AB6C2_aP36_2_2i_22i_6i:Ni-O-Re, expected Re3NiO11 to be Re2NiO6" +mp-1219152,Re2NiO6,-8.4921968578,-1.7867164892,0.1122523822,0.1122523822,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ni-O-Re,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_4f4j_e:Ni-O-Re, expected Re2NiO24 to be Re2NiO6" +mp-32311,Re2NiO8,-8.4081455239,-2.0224454566,0.0,-0.1418692497,GGA+U,P-3,AB8C2_hP11_147_a_dg_d:Ni-O-Re,44.0,AB8C2_hP11_147_a_dg_d:Ni-O-Re +mp-542295,NaYbGeO4,-6.2939200664,-2.3979320274,0.0256912776,0.0256912776,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Yb,,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c4d_c:Ge-Na-O-Yb, expected NaYbGeO15 to be NaYbGeO4" +mp-1214509,Ba3ZrIr2O9,-7.6787955773,-2.5786827633,0.0,-0.0161194516,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Zr,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Zr +mp-1226925,Ce2ZrO6,-9.4049910972,-3.8389898519,0.0520396633,0.0520396633,GGA,C2,A2B6C_mC36_5_abc_6c_c:Ce-O-Zr,18.0,"Invalid WP multiplicities - A2B6C_mC36_5_abc_12c_c:Ce-O-Zr, expected Ce2ZrO12 to be Ce2ZrO6" +mp-1226786,Ce2ZrO6,-9.4083248067,-3.8423235614,0.0487059539,0.0487059539,GGA,Immm,A2B6C_oI18_71_e_gn_b:Ce-O-Zr,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g3n_b:Ce-O-Zr, expected Ce2ZrO16 to be Ce2ZrO6" +mp-1226748,Ce2ZrO6,-9.4029339678,-3.8369327225,0.0540967928,0.0540967928,GGA,I4/mmm,A2B6C_tI18_139_e_dg_a:Ce-O-Zr,9.0,"Invalid WP multiplicities - A2B6C_tI18_139_e_2d3g_a:Ce-O-Zr, expected Ce2ZrO16 to be Ce2ZrO6" +mp-1226797,Ce2ZrO6,-9.4138461389,-3.8478448936,0.0431846217,0.0431846217,GGA,P-3m1,A2B6C_hP9_164_d_c2d_a:Ce-O-Zr,9.0,"Invalid WP multiplicities - A2B6C_hP9_164_d_2c4d_a:Ce-O-Zr, expected Ce2ZrO12 to be Ce2ZrO6" +mp-1191683,Ce7ZrO16,-9.2775194638,-3.8930884598,0.0218671694,0.0218671694,GGA,P4/mmm,A7B16C_tP24_123_afk_st_c:Ce-O-Zr,24.0,"Invalid WP multiplicities - A7B16C_tP24_123_a2f4k_4s4t_c:Ce-O-Zr, expected Ce21ZrO64 to be Ce7ZrO16" +mp-1019591,Ce3ZrO8,-9.3610797158,-3.8677065671,0.0328933938,0.0328933938,GGA,C2/c,A3B8C_mC48_15_ef_4f_e:Ce-O-Zr,24.0,"Invalid WP multiplicities - A3B8C_mC48_15_2e2f_13f_e:Ce-O-Zr, expected Ce6ZrO26 to be Ce3ZrO8" +mp-1226831,Ce3ZrO8,-9.3495126508,-3.8561395021,0.0444604588,0.0444604588,GGA,P-4m2,A3B8C_tP12_115_be_4g_c:Ce-O-Zr,12.0,"Invalid WP multiplicities - A3B8C_tP12_115_be_8g_c:Ce-O-Zr, expected Ce3ZrO16 to be Ce3ZrO8" +mp-756286,La3Ce4O12,-9.0181201979,-3.8654548047,0.0476452631,0.0476452631,GGA,C2/m,A4B3C12_mC38_12_2i_ai_6i:Ce-La-O,19.0,"Invalid WP multiplicities - A4B3C12_mC38_12_4i_ai_10i:Ce-La-O, expected La3Ce8O20 to be La3Ce4O12" +mp-1019595,Ce5Zr3O16,-9.4490499337,-3.8467346402,0.0395096523,0.0395096523,GGA,C222,A5B16C3_oC48_21_afk_4l_bh:Ce-O-Zr,24.0,"Invalid WP multiplicities - A5B16C3_oC48_21_a2f2k_16l_bh:Ce-O-Zr, expected Ce9Zr3O64 to be Ce5Zr3O16" +mp-1226592,CeZr3O8,-9.730807385,-3.8016656571,0.0415116304,0.0415116304,GGA,P1,AB8C3_aP12_1_a_8a_3a:Ce-O-Zr,12.0,AB8C3_aP12_1_a_8a_3a:Ce-O-Zr +mp-1019600,CeZr3O8,-9.7278116467,-3.7986699187,0.0445073687,0.0445073687,GGA,C2/c,AB8C3_mC48_15_e_4f_ef:Ce-O-Zr,24.0,"Invalid WP multiplicities - AB8C3_mC48_15_e_5f_ef:Ce-O-Zr, expected CeZr3O10 to be CeZr3O8" +mp-1226490,CeZr3O8,-9.7142558408,-3.7851141129,0.0580631746,0.0580631746,GGA,Amm2,AB8C3_oC24_38_a_4b2d_ae:Ce-O-Zr,12.0,AB8C3_oC24_38_a_4b2d_ae:Ce-O-Zr +mp-1019589,Ce3Zr5O16,-9.6320856571,-3.811886074,0.0456468819,0.0456468819,GGA,C222,A3B16C5_oC48_21_af_4l_bhk:Ce-O-Zr,24.0,"Invalid WP multiplicities - A3B16C5_oC48_21_a2f_16l_b2h2k:Ce-O-Zr, expected Ce5Zr9O64 to be Ce3Zr5O16" +mp-1019596,CeZrO4,-9.5402073575,-3.8289499192,0.042938705,0.042938705,GGA,P4/nbm,AB4C_tP12_125_a_m_d:Ce-O-Zr,12.0,AB4C_tP12_125_a_m_d:Ce-O-Zr +mp-1226488,CeZrO4,-9.5214628333,-3.810205395,0.0616832292,0.0616832292,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ce-O-Zr,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_4c_b:Ce-O-Zr, expected CeZrO8 to be CeZrO4" +mp-4843,CeZrO4,-9.5204598946,-3.8092024562,0.0626861679,0.0626861679,GGA,P2_13,AB4C_cP96_198_ab_4a4b_ab:Ce-O-Zr,96.0,"Invalid WP multiplicities - AB4C_cP96_198_ab_4a7b_ab:Ce-O-Zr, expected Ce4Zr4O25 to be CeZrO4" +mp-1096878,CeZrO4,-9.51976014,-3.8085027017,0.0633859225,0.0633859225,GGA,Fd-3m,AB4C_cF96_227_c_abf_d:Ce-O-Zr,24.0,"Invalid WP multiplicities - AB4C_cF96_227_c_2a2b4f_d:Ce-O-Zr, expected CeZrO14 to be CeZrO4" +mp-1226472,CeZr2O6,-9.6381781422,-3.7816645108,0.0710832222,0.0710832222,GGA,Immm,AB6C2_oI18_71_a_fn_g:Ce-O-Zr,,"Invalid WP multiplicities - AB6C2_oI18_71_a_2f2n_g:Ce-O-Zr, expected CeZr2O12 to be CeZr2O6" +mp-1226467,CeZr2O6,-9.6408447711,-3.7843311397,0.0684165933,0.0684165933,GGA,P-3m1,AB6C2_hP9_164_a_c2d_d:Ce-O-Zr,9.0,"Invalid WP multiplicities - AB6C2_hP9_164_a_2c4d_d:Ce-O-Zr, expected CeZr2O12 to be CeZr2O6" +mp-757324,CeZr6O14,-9.8026369502,-3.7801162411,0.0507561879,0.0507561879,GGA,Pmm2,AB14C6_oP42_25_e_2a2d6e6f_bc2e3f:Ce-O-Zr,42.0,"Invalid WP multiplicities - AB14C6_oP42_25_e_2a2d12e12f_bc4e5f:Ce-O-Zr, expected CeZr10O26 to be CeZr6O14" +mp-1223232,La4CeZr3O14,-9.0514717159,-3.5708416512,0.3379117065,0.3379117065,GGA,R-3m,AB4C14D3_hR66_166_a_be_c2h_d:Ce-La-O-Zr,22.0,"Invalid WP multiplicities - AB4C14D3_hR66_166_a_be_c9h_d:Ce-La-O-Zr, expected La4CeZr3O56 to be La4CeZr3O14" +mp-560329,Ce2Zr2O7,-9.596235085,-3.8154713987,0.0,-0.0197319837,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ce-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ce-O-Zr, expected CeZrO10 to be Ce2Zr2O7" +mp-752706,CeZr11O24,-9.8819339139,-3.8075359929,0.0165004035,0.0165004035,GGA,P1,AB24C11_aP36_1_a_24a_11a:Ce-O-Zr,36.0,AB24C11_aP36_1_a_24a_11a:Ce-O-Zr +mp-766370,CeZr9O20,-9.8401479347,-3.780275633,0.0456748525,0.0456748525,GGA,P1,AB20C9_aP30_1_a_20a_9a:Ce-O-Zr,30.0,AB20C9_aP30_1_a_20a_9a:Ce-O-Zr +mp-1226489,CeZr4O10,-9.7336148393,-3.7608962535,0.0765387667,0.0765387667,GGA,I4/mmm,AB10C4_tI30_139_a_d2g_2e:Ce-O-Zr,15.0,"Invalid WP multiplicities - AB10C4_tI30_139_a_2d6g_3e:Ce-O-Zr, expected CeZr6O28 to be CeZr4O10" +mp-752503,CeZr7O16,-9.8430784412,-3.8049945685,0.0238270506,0.0238270506,GGA,P1,AB16C7_aP24_1_a_16a_7a:Ce-O-Zr,24.0,AB16C7_aP24_1_a_16a_7a:Ce-O-Zr +mp-752983,CeZr7O16,-9.8195500808,-3.7814662081,0.047355411,0.047355411,GGA,Cm,AB16C7_mC48_8_a_8a4b_3a2b:Ce-O-Zr,24.0,"Invalid WP multiplicities - AB16C7_mC48_8_a_8a8b_3a4b:Ce-O-Zr, expected CeZr11O24 to be CeZr7O16" +mp-1019601,CeZr7O16,-9.8218498929,-3.7837660202,0.045055599,0.045055599,GGA,P-4m2,AB16C7_tP24_115_a_2j2k_bgi:Ce-O-Zr,24.0,"Invalid WP multiplicities - AB16C7_tP24_115_a_8j8k_b2g4i:Ce-O-Zr, expected CeZr21O64 to be CeZr7O16" +mp-768522,La2Ce2O7,-8.9383035486,-3.8142114124,0.0903704192,0.0903704192,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Ce-La-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_4_7a_7a_27a:Ce-La-O, expected La7Ce7O27 to be La2Ce2O7" +mp-755450,La2Ce2O7,-9.0190641795,-3.8949720433,0.0096097883,0.0096097883,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Ce-La-O,22.0,A2B2C7_cF88_227_d_c_af:Ce-La-O +mp-1226760,Ce4ZrO10,-9.3202887807,-3.8704924898,0.0358497383,0.0358497383,GGA,I4/mmm,A4B10C_tI30_139_2e_d2g_a:Ce-O-Zr,15.0,"Invalid WP multiplicities - A4B10C_tI30_139_3e_2d8g_a:Ce-O-Zr, expected Ce6ZrO36 to be Ce4ZrO10" +mp-1226815,Ce4ZrO10,-9.3292953193,-3.8794990285,0.0268431997,0.0268431997,GGA,R-3m,A4B10C_hR45_166_2c_5c_a:Ce-O-Zr,15.0,"Invalid WP multiplicities - A4B10C_hR45_166_3c_10c_a:Ce-O-Zr, expected Ce6ZrO20 to be Ce4ZrO10" +mp-1018766,Li3LaAs2,-4.353901955,-1.0237332025,0.0,-0.0279190608,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:As-La-Li,6.0,A2BC3_hP6_164_d_a_bd:As-La-Li +mp-1235501,LiLa2(AsO4)2,-7.3320497154,-2.6649202095,0.1314632735,0.1314632735,GGA,C2,A2B2CD8_mC26_5_ab_ab_a_4c:As-La-Li-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_8c:As-La-Li-O, expected LiLa2(AsO8)2 to be LiLa2(AsO4)2" +mp-1200105,K3Ta2Cu3Se8,-5.2904058853,-1.0834268895,0.0,-0.0027842459,GGA,C2/c,A3B3C8D2_mC64_15_ef_af_4f_f:Cu-K-Se-Ta,32.0,A3B3C8D2_mC64_15_ef_cf_4f_f:Cu-K-Se-Ta +mp-666297,K2TaCuSe4,-5.1964358169,-1.1762573038,0.0127366506,-0.0573873292,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-K-Se-Ta,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-K-Se-Ta +mp-8972,K2TaCuSe4,-5.2091724675,-1.1889939544,0.0,-0.0701239798,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-K-Se-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-K-Se-Ta +mp-6013,KTa(CuSe2)2,-5.3660708113,-0.9722913328,0.000238291,0.000238291,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Cu-K-Se-Ta,16.0,A2BC4D_oC32_40_ab_b_2bc_b:Cu-K-Se-Ta +mp-27549,K2AgBi,-2.5697999825,-0.3463392257,0.0,-0.0639277502,GGA,Cmcm,ABC2_oC16_63_a_c_g:Ag-Bi-K,8.0,ABC2_oC16_63_a_c_g:Ag-Bi-K +mp-1110921,K2AgBiBr6,-3.249838164,-1.4286368633,0.033870047,0.033870047,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Br-K +mp-1191796,Sm3BeCrS7,-6.5792995538,-1.8706855697,0.0361105623,0.0361105623,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Be-Cr-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Be-Cr-S-Sm +mp-1191257,Sm4CrS7,-6.6975453017,-1.9073335452,0.2048819092,0.2048819092,GGA,P6_3,AB7C4_hP24_173_b_b2c_ac:Cr-S-Sm,24.0,AB7C4_hP24_173_b_b2c_ac:Cr-S-Sm +mp-1209456,Sm4CrS7,-6.7673266483,-1.9771148918,0.1351005626,0.1351005626,GGA,P6_3,AB7C4_hP24_173_a_b2c_bc:Cr-S-Sm,24.0,AB7C4_hP24_173_a_b2c_bc:Cr-S-Sm +mp-15932,SmCrS3,-7.037488724,-1.6812920829,0.0010327325,0.0010327325,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cr-S-Sm,20.0,AB3C_oP20_62_c_3c_c:Cr-S-Sm +mp-1209031,Sm3CrS6,-6.8892646212,-2.0265141136,0.0,-0.002218936,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-S-Sm,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-S-Sm +mp-1178702,YZnCu3Se4,-4.5472115322,-0.7686025718,0.1823779287,0.1823779287,GGA,P-43m,A3B4CD_cP9_215_c_e_b_a:Cu-Se-Y-Zn,9.0,A3B4CD_cP9_215_c_e_b_a:Cu-Se-Y-Zn +mp-1001021,Y2ZnSe4,-5.8049499014,-1.7797596518,0.0487754129,0.0487754129,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:Se-Y-Zn,14.0,A4B2C_cF56_227_e_c_b:Se-Y-Zn +mp-1093593,Y2ZnCu,-2.34420537,2.2287677567,2.54143827,2.54143827,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Cu-Y-Zn +mp-1187716,Y2ZnCu,-4.8635736625,-0.2906005358,0.0220699775,0.0220699775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Y-Zn +mp-755635,Ho2Pt2O7,-7.5551800505,-2.4702795633,0.0,-0.130564726,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ho-O-Pt, expected HoPtO10 to be Ho2Pt2O7" +mp-20570,HoCoO3,-7.946192691,-2.6400341313,0.0,-0.0049338511,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Ho-O,20.0,ABC3_oP20_62_a_c_cd:Co-Ho-O +mp-1188609,HoCoO3,-7.5257848255,-2.2196262658,0.4204078655,0.4154740144,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Ho-O,20.0,ABC3_oP20_62_a_c_cd:Co-Ho-O +mp-1212356,Ho2CoPtO6,-7.7884451335,-2.5860050213,0.0382598544,0.0382598544,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Ho-O-Pt,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Ho-O-Pt +mp-1193030,Ce4CoS7,-6.93941211,-1.9564268197,0.1038055775,0.1038055775,GGA,P2_1,A4BC7_mP24_4_4a_a_7a:Ce-Co-S,24.0,"Invalid WP multiplicities - A4BC7_mP24_4_7a_a_13a:Ce-Co-S, expected Ce7CoS13 to be Ce4CoS7" +mp-38417,Ba(CeS2)2,-6.6132757371,-2.2802824918,0.04863228,0.04863228,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-Ce-S,14.0,AB2C4_tI28_122_a_d_e:Ba-Ce-S +mp-22288,BaCe2CoS5,-6.5825704278,-1.9630459412,0.0081253867,0.0081253867,GGA,I4/mcm,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Co-S,18.0,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Co-S +mp-1214443,BaTm2(MoO4)4,-8.4386059791,-2.638594431,0.0123025612,0.0123025612,GGA+U,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Tm,46.0,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Tm +mp-1205595,Ba2TmMoO6,-7.953945402,-3.0699886339,0.0,-0.0530701821,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Tm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Tm +mp-675209,Dy2PbS4,-6.059795795,-1.8495071925,0.0675879293,0.0675879293,GGA,I-42d,A2BC4_tI28_122_d_a_e:Dy-Pb-S,14.0,A2BC4_tI28_122_d_a_e:Dy-Pb-S +mp-730197,Dy14(PbS8)3,-4.466484609,-0.200441834,1.9376427307,1.9376427307,GGA,P1,A14B3C24_aP41_1_14a_3a_24a:Dy-Pb-S,41.0,A14B3C24_aP41_1_14a_3a_24a:Dy-Pb-S +mp-675822,Dy14(PbS8)3,-6.3554436902,-2.0894009152,0.0486836495,0.0486836495,GGA,C2,A14B3C24_mC82_5_7c_ac_12c:Dy-Pb-S,41.0,"Invalid WP multiplicities - A14B3C24_mC82_5_12c_ac_21c:Dy-Pb-S, expected Dy8PbS14 to be Dy14(PbS8)3" +mp-1225327,DyCuPbS3,-5.4896065975,-1.3516082341,0.0,-0.0076464375,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cu-Dy-Pb-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Cu-Dy-Pb-S, expected DyCuPbS4 to be DyCuPbS3" +mp-1210027,Rb9Co2S7,-3.9370104386,-1.0483109214,0.0192333274,0.0192333274,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Co-Rb-S,72.0,A2B9C7_cP72_198_2a_3a2b_a2b:Co-Rb-S +mp-560663,Rb(CoS)2,-5.508586088,-0.8145722088,0.0,-0.0095968539,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Rb-S,5.0,A2BC2_tI10_139_d_a_e:Co-Rb-S +mp-1219564,RbCoCuS2,-4.8060473120000005,-0.7138556577,0.0656460888,0.0656460888,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Co-Cu-Rb-S,5.0,ABCD2_tI10_119_a_b_c_f:Co-Cu-Rb-S +mp-1179796,Rb2Co3S4,-5.2859902733,-0.8602323847000001,0.0206428649,0.0206428649,GGA,Ibam,A3B2C4_oI36_72_af_j_k:Co-Rb-S,18.0,A3B2C4_oI36_72_af_j_k:Co-Rb-S +mp-8766,Rb2CoS2,-4.413770204,-0.9453130693,0.0476387656,0.0476387656,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Rb-S,10.0,AB2C2_oI20_72_a_j_j:Co-Rb-S +mp-4578,Sr2GeS4,-5.1930574593,-1.6862268551,0.0,-0.0330486915,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Ge-S-Sr,14.0,AB4C2_mP14_11_e_2ef_2e:Ge-S-Sr +mp-1147586,SrCu2GeS4,-4.8807246938,-0.9986329293,0.0452218958,0.0287692263,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-S-Sr,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-S-Sr +mp-18685,SrCu2GeS4,-4.9259465896,-1.0438548251,0.0,-0.0164526696,GGA,P3_221,A2BC4D_hP24_154_c_a_2c_b:Cu-Ge-S-Sr,24.0,A2BC4D_hP24_154_c_a_2c_b:Cu-Ge-S-Sr +mp-1224273,HoMnNi2,-6.6101734317,-0.2839990511,0.0643159839,0.0643159839,GGA,R3m,ABC2_hR36_160_3a_3a_2b:Ho-Mn-Ni,12.0,"Invalid WP multiplicities - ABC2_hR36_160_3a_3a_6b:Ho-Mn-Ni, expected HoMnNi6 to be HoMnNi2" +mp-1212340,Ho2MnNiO6,-8.243344822,-2.864634624,0.0,-0.0135432113,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ho-Mn-Ni-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Ho-Mn-Ni-O +mp-18974,HoNiO3,-7.551576216,-2.5110538793,0.0,-0.0050157057,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ho-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Ho-Ni-O +mp-1219948,NiSeS,-5.0141741408,-0.543341466,0.0375362054,0.0375362054,GGA,P2_13,ABC_cP12_198_a_a_a:Ni-S-Se,12.0,ABC_cP12_198_a_a_a:Ni-S-Se +mp-1220092,Ni3Pb2SeS,-4.9817170586,-0.3534219836,0.1086602004,0.1086602004,GGA,R3m,A3B2CD_hR21_160_b_2a_a_a:Ni-Pb-S-Se,7.0,A3B2CD_hR21_160_b_2a_a_a:Ni-Pb-S-Se +mp-22596,Ni3(PbS)2,-5.1844220386,-0.4646214795,0.004319645,-0.0163219214,GGA,R-3m,A3B2C2_hR21_166_d_ab_c:Ni-Pb-S,7.0,A3B2C2_hR21_166_d_ab_c:Ni-Pb-S +mp-1104854,Ni3(PbS)2,-5.1887416836,-0.4689411245,0.0,-0.0206415664,GGA,I2_13,A3B2C2_cI28_199_b_a_a:Ni-Pb-S,14.0,A3B2C2_cI28_199_b_a_a:Ni-Pb-S +mp-30598,SrCuSn2,-3.8757370825,-0.4237761242,0.0,-0.0152236606,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Cu-Sn-Sr,8.0,"Invalid WP multiplicities - AB2C_oC16_63_c_4c_c:Cu-Sn-Sr, expected SrCuSn4 to be SrCuSn2" +mp-1192662,SrCu9Sn4,-4.0386212393,-0.137146889,0.0,-0.0070369964,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Cu-Sn-Sr,28.0,A9B4C_tI56_140_dkl_l_a:Cu-Sn-Sr +mp-1068891,Sr(CuSn)2,-3.927068754,-0.3456586533,0.0,-0.006637754,GGA,C2/m,A2B2C_mC10_12_i_i_a:Cu-Sn-Sr,5.0,A2B2C_mC10_12_i_i_a:Cu-Sn-Sr +mp-1218773,Sr2SnS5,-5.0472841409,-1.5384331289,0.0,-0.0209200519,GGA,P2_12_12,A5BC2_oP32_18_ab4c_c_2c:S-Sn-Sr,32.0,A5BC2_oP32_18_ab4c_c_2c:S-Sn-Sr +mp-1192625,Sr3(Cu2Sn)4,-3.856612696,-0.2632512867,0.0322485827,0.0322485827,GGA,P6_3mc,A8B4C3_hP30_186_ab2c_bc_c:Cu-Sn-Sr,30.0,A8B4C3_hP30_186_ab2c_bc_c:Cu-Sn-Sr +mp-1104488,Sr(Cu2Sn)2,-3.9486709286,-0.219318951,0.0275800871,0.0275800871,GGA,I4/mcm,A4B2C_tI28_140_l_h_a:Cu-Sn-Sr,14.0,A4B2C_tI28_140_l_h_a:Cu-Sn-Sr +mp-1208730,Sr3Sn2S7,-5.0497189271,-1.5461544989,0.0127755671,0.0127755671,GGA,Pbam,A7B2C3_oP24_55_a2gh_g_dh:S-Sn-Sr,24.0,A7B2C3_oP24_55_a2gh_g_dh:S-Sn-Sr +mp-30294,Sr2SnS4,-5.0993882686,-1.6801942358000002,0.0,-0.0072646943,GGA,Ama2,A4BC2_oC28_40_2bc_b_ab:S-Sn-Sr,14.0,A4BC2_oC28_40_2bc_b_ab:S-Sn-Sr +mp-1205419,SrSnS3,-5.0007033915,-1.3790204097,0.0101398185,0.0101398185,GGA,Pnma,A3BC_oP20_62_3c_c_c:S-Sn-Sr,20.0,A3BC_oP20_62_3c_c_c:S-Sn-Sr +mp-16988,SrCu2SnS4,-4.8307467217,-1.0253369572,0.0072719896,0.0072719896,GGA,P3_121,A2B4CD_hP24_152_c_2c_a_b:Cu-S-Sn-Sr,24.0,A2B4CD_hP24_152_c_2c_a_b:Cu-S-Sn-Sr +mp-17322,SrCu2SnS4,-4.8307621404,-1.0253523759,0.0072565708,0.0072565708,GGA,P3_221,A2B4CD_hP24_154_c_2c_a_b:Cu-S-Sn-Sr,24.0,A2B4CD_hP24_154_c_2c_a_b:Cu-S-Sn-Sr +mp-1226110,Cr8Co3NiS16,-6.9892189282,-0.8994807963,0.0145232678,0.0145232678,GGA,P-4m2,A3B8CD16_tP28_115_ag_jk_c_2j2k:Co-Cr-Ni-S,28.0,"Invalid WP multiplicities - A3B8CD16_tP28_115_ag_4j3k_c_8j7k:Co-Cr-Ni-S, expected Cr28Co3NiS60 to be Cr8Co3NiS16" +mp-1226633,Cr8Co3NiS16,-6.9667942907,-0.8770561588,0.0369479053,0.0369479053,GGA,R3m,A3B8CD16_hR84_160_3a_2a2b_a_4a4b:Co-Cr-Ni-S,28.0,"Invalid WP multiplicities - A3B8CD16_hR84_160_3a_2a6b_a_4a12b:Co-Cr-Ni-S, expected Cr20Co3NiS40 to be Cr8Co3NiS16" +mp-21299,Cr2CoS4,-6.9698465357,-0.8326733639,0.0827365851,0.0827365851,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Cr-S,14.0,AB2C4_cF56_227_a_d_e:Co-Cr-S +mp-1226342,Cr4CoNiS8,-6.9507622771,-0.908459185,0.0,-0.0008484169,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Ni-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Ni-S +mp-504460,LiMnGaF6,-5.8732230541,-3.0323443889,0.0,-0.0204725236,GGA+U,P321,A6BCD_hP27_150_3g_ad_f_e:F-Ga-Li-Mn,27.0,A6BCD_hP27_150_3g_ad_f_e:F-Ga-Li-Mn +mp-755893,CaBiO3,-6.4121261725,-2.2748951437,0.0,-0.0199344881,GGA,P2_1/c,ABC3_mP20_14_ad_e_3e:Bi-Ca-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_2ab_e_9e:Bi-Ca-O, expected Ca2(BiO6)3 to be CaBiO3" +mp-1378965,CaBiO3,-6.396315561,-2.2590845323,0.0158106115,-0.0041238766,GGA,Pnma,ABC3_oP20_62_a_c_cd:Bi-Ca-O,20.0,ABC3_oP20_62_a_c_cd:Bi-Ca-O +mp-1178493,CaBiO3,-6.3125751485,-2.1753441198,0.099551024,0.0796165359,GGA,Pnma,ABC3_oP20_62_c_a_cd:Bi-Ca-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Bi-Ca-O, expected CaBiO7 to be CaBiO3" +mp-867749,CaBiO3,-6.391285753,-2.2540547242,0.0208404195,0.0009059314,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-Ca-O,10.0,ABC3_hR30_148_c_c_f:Bi-Ca-O +mp-1041411,CaBi4O9,-6.1899932632,-1.7694393488,0.0010569999,0.0010569999,GGA,P2/c,A4BC9_mP28_13_2g_e_f4g:Bi-Ca-O,28.0,"Invalid WP multiplicities - A4BC9_mP28_13_6g_e_f10g:Bi-Ca-O, expected Ca(Bi4O7)3 to be CaBi4O9" +mp-675592,Ca(Bi2O3)2,-6.0168164742,-1.7397538681,0.1354287355,0.1354287355,GGA,Cm,A4BC6_mC66_8_2a5b_ab_4a7b:Bi-Ca-O,33.0,"Invalid WP multiplicities - A4BC6_mC66_8_2a10b_a2b_4a14b:Bi-Ca-O, expected Ca5(Bi11O16)2 to be Ca(Bi2O3)2" +mp-677291,Ca2Bi10O17,-6.1978583393,-1.835451472,0.0647757512,0.0647757512,GGA,P1,A10B2C17_aP29_1_10a_2a_17a:Bi-Ca-O,29.0,A10B2C17_aP29_1_10a_2a_17a:Bi-Ca-O +mp-766275,Ca2Bi10O17,-6.1748617114,-1.8124548441,0.0877723791,0.0877723791,GGA,Cm,A10B2C17_mC58_8_4a3b_2a_9a4b:Bi-Ca-O,29.0,A10B2C17_mC58_8_4a3b_2a_9a4b:Bi-Ca-O +mp-1347348,CaBiAsO6,-6.3775725428,-1.9125348003,0.1152672117,0.1152672117,GGA,P2_1,ABCD6_mP18_4_a_a_a_6a:As-Bi-Ca-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_4_a_a_a_12a:As-Bi-Ca-O, expected CaBiAsO12 to be CaBiAsO6" +mp-1044049,CaBi3O7,-6.1575272314,-1.7799010269000002,0.0706050399,0.0706050399,GGA,Pnma,A3BC7_oP44_62_cd_c_c3d:Bi-Ca-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_62_c2d_c_c3d:Bi-Ca-O, expected CaBi5O7 to be CaBi3O7" +mp-1043793,CaBi2O5,-6.2157439081,-1.9132411961,0.0772818773,0.066804734,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Bi-Ca-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_2e_e_15e:Bi-Ca-O, expected CaBi2O15 to be CaBi2O5" +mp-772874,CaBi2O5,-6.2576510821,-1.9551483701,0.0353747034,0.02489756,GGA,C2/c,A2BC5_mC96_15_3f_ef_e7f:Bi-Ca-O,48.0,"Invalid WP multiplicities - A2BC5_mC96_15_9f_e2f_2e27f:Bi-Ca-O, expected Ca5(Bi9O28)2 to be CaBi2O5" +mp-1326238,CaBi2O5,-6.0972711156,-1.7947684036,0.1957546698,0.1852775265,GGA,Pmmn,A2BC5_oP16_59_e_a_b2e:Bi-Ca-O,16.0,A2BC5_oP16_59_e_a_b2e:Bi-Ca-O +mp-1042415,CaBi2O5,-6.2930257855,-1.9905230734,0.0,-0.0104771434,GGA,Pbca,A2BC5_oP64_61_2c_c_5c:Bi-Ca-O,64.0,"Invalid WP multiplicities - A2BC5_oP64_61_2c_c_31c:Bi-Ca-O, expected CaBi2O31 to be CaBi2O5" +mp-1043005,CaBi2O5,-6.0963317956,-1.7938290836,0.1966939898,0.1862168465,GGA,Cmcm,A2BC5_oC32_63_f_c_c2f:Bi-Ca-O,16.0,A2BC5_oC32_63_f_c_c2f:Bi-Ca-O +mp-1343204,Ca3Bi2(AsO6)2,-6.5642302558,-2.2286366113,0.0880702623,0.0880702623,GGA,P1,A2B2C3D12_aP19_1_2a_2a_3a_12a:As-Bi-Ca-O,19.0,A2B2C3D12_aP19_1_2a_2a_3a_12a:As-Bi-Ca-O +mp-557070,Ca2BiAsO6,-6.766302976,-2.5472090198,0.0,-0.0351767165,GGA,Cmc2_1,ABC2D6_oC40_36_a_a_b_2a2b:As-Bi-Ca-O,20.0,"Invalid WP multiplicities - ABC2D6_oC40_36_a_a_b_4a7b:As-Bi-Ca-O, expected Ca2BiAsO18 to be Ca2BiAsO6" +mp-1047018,CaBiAsO5,-6.5863435391,-2.1815121677,0.076202755,0.076202755,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Bi-Ca-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Bi-Ca-O +mp-28848,Ca2Bi2O5,-6.4508485746,-2.4035572884,0.0074750273,0.0074750273,GGA,P-1,A2B2C5_aP54_2_6i_6i_15i:Bi-Ca-O,54.0,A2B2C5_aP54_2_6i_6i_15i:Bi-Ca-O +mp-1346382,Ca2Bi2O5,-6.2862429217,-2.2389516354,0.1720806803,0.1720806803,GGA,Pbam,A2B2C5_oP18_55_g_h_agh:Bi-Ca-O,18.0,"Invalid WP multiplicities - A2B2C5_oP18_55_g_h_2a2g3h:Bi-Ca-O, expected CaBiO6 to be Ca2Bi2O5" +mp-1046237,Ca(BiO2)4,-6.1319494831,-1.7518674762000002,0.1146248904,0.1146248904,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Ca-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Ca-O +mp-1047990,Ca(BiO2)4,-6.1217954562,-1.7417134492000002,0.1247789173,0.1247789173,GGA,Cm,A4BC8_mC26_8_4a_a_8a:Bi-Ca-O,13.0,A4BC8_mC26_8_4a_a_8a:Bi-Ca-O +mp-1043656,Ca(BiO2)4,-6.0212774469,-1.6411954400000002,0.2252969265,0.2252969265,GGA,R-3m,A4BC8_hR39_166_bd_a_ch:Bi-Ca-O,13.0,"Invalid WP multiplicities - A4BC8_hR39_166_bd_a_c2h:Bi-Ca-O, expected Ca(Bi2O7)2 to be Ca(BiO2)4" +mp-551873,Ca4Bi2O,-4.5665684,-1.6165589013,0.0,-0.064406371,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Bi-Ca-O,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2c2e_a:Bi-Ca-O, expected Ca8Bi2O to be Ca4Bi2O" +mp-1396659,Ca2Bi3O8,-6.2810247438,-2.0420880638,0.0578088828,0.0578088828,GGA,C2/m,A3B2C8_mC26_12_ah_i_2ij:Bi-Ca-O,13.0,A3B2C8_mC26_12_ah_i_2ij:Bi-Ca-O +mp-1042552,Ca2Bi3O8,-6.2575695123,-2.0186328323,0.0812641143,0.0812641143,GGA,P6_3mc,A3B2C8_hP26_186_c_2b_ab2c:Bi-Ca-O,26.0,"Invalid WP multiplicities - A3B2C8_hP26_186_c_2b_a2b3c:Bi-Ca-O, expected Ca2(BiO4)3 to be Ca2Bi3O8" +mp-1045327,Ca(BiO3)2,-6.085356145,-1.7112772108,0.0580766322,0.0580766322,GGA,Pmn2_1,A2BC6_oP18_31_b_a_2a2b:Bi-Ca-O,18.0,"Invalid WP multiplicities - A2BC6_oP18_31_b_a_2a3b:Bi-Ca-O, expected Ca(BiO4)2 to be Ca(BiO3)2" +mp-1227621,Ca4Bi6O13,-6.3988309235,-2.2522097258,0.0030620292,0.0030620292,GGA,Pm,A6B4C13_mP23_6_2a2bc_2c_2a3b4c:Bi-Ca-O,23.0,"Invalid WP multiplicities - A6B4C13_mP23_6_2a2bc_4c_2a3b8c:Bi-Ca-O, expected Ca8(Bi2O7)3 to be Ca4Bi6O13" +mp-757343,Ca4Bi6O13,-6.3990542983,-2.2524331006,0.0028386545,0.0028386545,GGA,Cm,A6B4C13_mC92_8_4a4b_4b_6a10b:Bi-Ca-O,46.0,"Invalid WP multiplicities - A6B4C13_mC92_8_4a8b_6b_6a18b:Bi-Ca-O, expected Ca6Bi10O21 to be Ca4Bi6O13" +mp-1327938,Ca(BiO2)2,-6.3025456316,-2.0920694909,0.0630704752,0.0549842459,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Bi-Ca-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Bi-Ca-O, expected Ca4Bi11O24 to be Ca(BiO2)2" +mp-1350272,Ca(BiO2)2,-6.3058572345,-2.0953810938,0.0597588723,0.051672643,GGA,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Bi-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_mC84_8_6a6b_6a_12a12b:Bi-Ca-O, expected Ca(BiO2)3 to be Ca(BiO2)2" +mp-1042216,Ca(BiO2)2,-6.3431459886,-2.1326698479,0.0224701182,0.0143838889,GGA,C2/m,A2BC4_mC28_12_2i_i_4i:Bi-Ca-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Bi-Ca-O, expected CaBi3O7 to be Ca(BiO2)2" +mp-558751,Ca(BiO2)2,-6.3656161068,-2.1551399661,0.0,-0.0080862293,GGA,C2/c,A2BC4_mC112_15_4f_2f_8f:Bi-Ca-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_15_12f_5f_27f:Bi-Ca-O, expected Ca5(Bi4O9)3 to be Ca(BiO2)2" +mp-1041489,Ca(BiO2)2,-6.2564911864,-2.0460150457,0.1091249204,0.1010386911,GGA,Pbcm,A2BC4_oP28_57_e_d_cde:Bi-Ca-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_57_e_d_3c3d5e:Bi-Ca-O, expected Ca(BiO8)2 to be Ca(BiO2)2" +mp-1041754,Ca(BiO2)2,-6.1890674618,-1.9785913211,0.176548645,0.1684624157,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Bi-Ca-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Bi-Ca-O +mp-1347357,Ca(BiO2)2,-6.2802320068,-2.0697558661,0.0853840999999999,0.0772978707,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Bi-Ca-O,28.0,A2BC4_oP28_62_2c_c_4c:Bi-Ca-O +mp-1047341,Ca(BiO2)2,-6.2543522507,-2.04387611,0.1112638561,0.1031776268,GGA,Cmcm,A2BC4_oC28_63_f_c_acf:Bi-Ca-O,14.0,A2BC4_oC28_63_f_c_acf:Bi-Ca-O +mp-1041524,Ca(BiO2)2,-6.3129060564,-2.1024299157,0.0527100504,0.0446238211,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Bi-Ca-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Bi-Ca-O, expected Ca(BiO5)2 to be Ca(BiO2)2" +mp-1044601,Ca(BiO2)2,-6.2732952879,-2.0628191471,0.0923208189,0.0842345896,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Bi-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c16d:Bi-Ca-O, expected Ca2(BiO2)9 to be Ca(BiO2)2" +mp-1044835,Ca(BiO2)2,-6.2831810562,-2.0727049155,0.0824350506,0.0743488213,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Bi-Ca-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c13d:Bi-Ca-O, expected Ca2Bi8O15 to be Ca(BiO2)2" +mp-1044682,Ca(BiO2)2,-6.29313738,-2.0826612393,0.0724787268,0.0643924975,GGA,R3m,A2BC4_hR42_160_ab_2a_2a2b:Bi-Ca-O,14.0,A2BC4_hR42_160_ab_2a_2a2b:Bi-Ca-O +mp-1046875,Ca(BiO2)2,-6.2633942086,-2.0529180679,0.1022218982,0.0941356689,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Bi-Ca-O,14.0,A2BC4_cF56_227_c_b_e:Bi-Ca-O +mp-1337097,Ca3Bi2O7,-6.4583022838,-2.4312523772,0.0156028325,0.0156028325,GGA,Cmc2_1,A2B3C7_oC48_36_b_ab_a3b:Bi-Ca-O,24.0,"Invalid WP multiplicities - A2B3C7_oC48_36_b_ab_a4b:Bi-Ca-O, expected Ca3Bi2O9 to be Ca3Bi2O7" +mp-1013545,Ca3BiAs,-3.81485416,-0.911572725,0.0878332485,0.0878332485,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Bi-Ca,5.0,ABC3_cP5_221_b_a_c:As-Bi-Ca +mp-1013703,Ca3BiAs,-3.19391065,-0.290629215,0.7087767585,0.7087767585,GGA,Pm-3m,ABC3_cP5_221_a_b_c:As-Bi-Ca,5.0,ABC3_cP5_221_a_b_c:As-Bi-Ca +mp-1304002,Li4Ni3BiO8,-5.8900175144,-1.615636244,0.009471749,0.009471749,GGA+U,C2/m,AB4C3D8_mC32_12_a_cde_bf_2ij:Bi-Li-Ni-O,32.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_cdf_2b2e_3ij:Bi-Li-Ni-O, expected Li4Ni6BiO10 to be Li4Ni3BiO8" +mp-1307356,Li4Ni3BiO8,-5.8920092787,-1.6176280083,0.0074799846,0.0074799846,GGA+U,P2/c,AB4C3D8_mP32_13_e_ac2f_bde_4g:Bi-Li-Ni-O,32.0,"Invalid WP multiplicities - AB4C3D8_mP32_13_e_2ac2f_bd2e_8g:Bi-Li-Ni-O, expected Li5Ni4BiO16 to be Li4Ni3BiO8" +mp-1290471,Li4Ni3BiO8,-5.89341608,-1.6190348096,0.0060731833,0.0060731833,GGA+U,C2/c,AB4C3D8_mC64_15_e_cdf_abe_4f:Bi-Li-Ni-O,32.0,"Invalid WP multiplicities - AB4C3D8_mC64_15_e_cdf_2a2b2e_9f:Bi-Li-Ni-O, expected Li4Ni6BiO18 to be Li4Ni3BiO8" +mp-756926,Li4Ni3BiO8,-5.8907488375,-1.6163675671000002,0.0087404258,0.0087404258,GGA+U,R-3m,AB4C3D8_hR48_166_a_bd_e_ch:Bi-Li-Ni-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_bd_e_c2h:Bi-Li-Ni-O, expected Li4Ni3BiO14 to be Li4Ni3BiO8" +mp-1275701,Li2Ni3BiO8,-5.9786989475,-1.366395048,0.0041150034,0.0041150034,GGA+U,R-3,AB2C3D8_hR42_148_a_c_d_cf:Bi-Li-Ni-O,28.0,AB2C3D8_hR42_148_a_c_d_cf:Bi-Li-Ni-O +mp-755590,Li2Ni3BiO8,-5.9609853929,-1.3486814933,0.021828558,0.021828558,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Bi-Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c3h:Bi-Li-Ni-O, expected Li2Ni3BiO22 to be Li2Ni3BiO8" +mp-770972,Li2Ni3BiO8,-5.9712525384,-1.3589486389,0.0115614125,0.0115614125,GGA+U,P4_332,AB2C3D8_cP56_212_a_c_d_ce:Bi-Li-Ni-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_212_a_c_d_8c9e:Bi-Li-Ni-O, expected Li2Ni3BiO70 to be Li2Ni3BiO8" +mp-1272200,Li2NiBiO4,-5.8239410691,-1.6707877705,0.0434351205,0.0434351205,GGA+U,C222,AB2CD4_oC32_21_ac_bdk_k_efl:Bi-Li-Ni-O,32.0,AB2CD4_tI16_119_a_bc_d_ef:Bi-Li-Ni-O +mp-755002,Li2NiBiO4,-5.8263390194,-1.6731857208,0.0410371702,0.0410371702,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Bi-Li-Ni-O,16.0,AB2CD4_tI16_119_a_bc_d_ef:Bi-Li-Ni-O +mp-756733,Li4Ni5BiO12,-5.88584918,-1.3523433377,0.0647548572,0.0647548572,GGA+U,C2/m,AB4C5D12_mC44_12_a_j_dgh_2i2j:Bi-Li-Ni-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_12_a_j_cg2h_4i5j:Bi-Li-Ni-O, expected Li4Ni7BiO28 to be Li4Ni5BiO12" +mp-1569254,Li2Ni2BiO6,-5.9362925786,-1.490952534,0.023757412,0.023757412,GGA+U,C222_1,AB2C2D6_oC44_20_a_2b_2a_3c:Bi-Li-Ni-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_20_a_2b_4a_6c:Bi-Li-Ni-O, expected Li2Ni4BiO12 to be Li2Ni2BiO6" +mp-772569,Li2Ni2BiO6,-5.9273305568,-1.4819905122,0.0327194338,0.0327194338,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Bi-Li-Ni-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_64_a_e_d_2f2g:Bi-Li-Ni-O, expected Li2Ni2BiO12 to be Li2Ni2BiO6" +mp-1246314,Mg2Sc3TiS8,-6.4576157686,-1.9443973138,0.03242794,0.03242794,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sc-Ti,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sc-Ti, expected Mg2Sc3TiS22 to be Mg2Sc3TiS8" +mp-1246962,Mg2ScTi3S8,-6.4551857443,-1.7186783021,0.0725707029,0.0725707029,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Sc-Ti,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c2h_a_d:Mg-S-Sc-Ti, expected Mg2ScTi3S16 to be Mg2ScTi3S8" +mp-1246436,MgScTiS4,-6.4531055093,-1.8282425608,0.0557945686,0.0557945686,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sc-Ti,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sc-Ti, expected MgScTiS12 to be MgScTiS4" +mp-1222935,LaAlZn,-3.7543892583,-0.4406137433,0.0,-0.0025801217,GGA,C2/m,ABC_mC12_12_i_i_i:Al-La-Zn,6.0,ABC_mC12_12_i_i_i:Al-La-Zn +mp-1191872,La3AlZnS7,-6.074930695,-2.0108898764,0.0331438831,0.0331438831,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-Zn,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-Zn +mp-569713,La(AlZn)2,-3.445341436,-0.456012239,0.0,-0.0765958382,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-La-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-La-Zn +mp-1093887,La2AlZn,-1.66287239,2.0564610225,2.4201217919,2.4201217919,GGA,Immm,AB2C_oI8_71_a_e_b:Al-La-Zn,4.0,AB2C_oI8_71_a_e_b:Al-La-Zn +mp-1223230,La2AlZn,-4.05929857,-0.3399651575,0.0236956119,0.0236956119,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-La-Zn,4.0,AB2C_tP4_123_a_h_b:Al-La-Zn +mp-1046715,Ti4ZnO6,-8.4426093741,-2.7588053792,0.2450155395,0.2450155395,GGA,Cmcm,A6B4C_oC44_63_ac2f_2f_c:O-Ti-Zn,22.0,"Invalid WP multiplicities - A6B4C_oC44_63_ac2f_6f_c:O-Ti-Zn, expected Ti12ZnO6 to be Ti4ZnO6" +mp-1045822,Ti5ZnO7,-8.5341152385,-2.7368825714,0.2531740398,0.2531740398,GGA,Cmcm,A7B5C_oC52_63_c3f_a2f_c:O-Ti-Zn,26.0,"Invalid WP multiplicities - A7B5C_oC52_63_c3f_a5f_c:O-Ti-Zn, expected Ti11ZnO7 to be Ti5ZnO7" +mp-1392336,Ti4ZnO8,-8.6693131238,-3.0989114803,0.1341527508,0.1341527508,GGA,Cm,A8B4C_mC26_8_8a_4a_a:O-Ti-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-Ti-Zn +mp-1412440,Ti4ZnO8,-8.6410558977,-3.0706542541,0.1624099769,0.1624099769,GGA,Cm,A8B4C_mC26_8_8a_4a_a:O-Ti-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-Ti-Zn +mp-1402444,Ti4ZnO8,-8.5965006585,-3.0260990149,0.2069652162,0.2069652162,GGA,R-3m,A8B4C_hR39_166_ch_bd_a:O-Ti-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:O-Ti-Zn, expected Ti4ZnO14 to be Ti4ZnO8" +mp-1045961,TiZnO2,-7.0012548244,-2.2391015621,0.3877631256,0.3877631256,GGA,P-1,A2BC_aP16_2_4i_2i_2i:O-Ti-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-Ti-Zn, expected Ti3Zn2O7 to be TiZnO2" +mp-1048537,TiZnO2,-6.9865232956,-2.2243700333,0.4024946544,0.4024946544,GGA,P-1,A2BC_aP16_2_4i_2i_2i:O-Ti-Zn,16.0,"Invalid WP multiplicities - A2BC_mC32_12_7i_3i_2i:O-Ti-Zn, expected Ti3Zn2O7 to be TiZnO2" +mp-1385424,TiZnO2,-6.9681978025,-2.2060445402,0.4208201475,0.4208201475,GGA,Cm,A2BC_mC32_8_8a_4a_4a:O-Ti-Zn,16.0,A2BC_mC32_8_8a_4a_4a:O-Ti-Zn +mp-1048253,TiZnO2,-7.2104374869,-2.4482842246,0.1785804631,0.1785804631,GGA,C2/m,A2BC_mC32_12_4i_2i_2i:O-Ti-Zn,16.0,"Invalid WP multiplicities - A2BC_mC32_12_7i_3i_2i:O-Ti-Zn, expected Ti3Zn2O7 to be TiZnO2" +mp-532524,TiZn2O4,-6.8082255327,-2.4936920924,0.033538551,0.033538551,GGA,C2,A4BC2_mC112_5_16c_ab3c_ab7c:O-Ti-Zn,56.0,"Invalid WP multiplicities - A4BC2_mC112_5_32c_ab5c_ab13c:O-Ti-Zn, expected Ti3Zn7O16 to be TiZn2O4" +mp-33631,TiZn2O4,-6.7949712600000005,-2.4804378198,0.0467928237,0.0467928237,GGA,Imma,A4BC2_oI28_74_hi_a_ce:O-Ti-Zn,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_2hi_a_c2e:O-Ti-Zn, expected TiZn3O6 to be TiZn2O4" +mp-542737,TiZn2O4,-6.8120951829,-2.4975617426,0.0296689008,0.0296689008,GGA,P4_122,A4BC2_tP28_91_2d_a_bc:O-Ti-Zn,28.0,A4BC2_tP28_91_2d_a_bc:O-Ti-Zn +mp-1101018,TiZn2O4,-6.8119696375,-2.4974361973,0.0297944462,0.0297944462,GGA,P4_322,A4BC2_tP28_95_2d_a_bc:O-Ti-Zn,28.0,"Invalid WP multiplicities - A4BC2_tP28_95_7d_a_2b2c:O-Ti-Zn, expected TiZn4O14 to be TiZn2O4" +mp-1101024,TiZn2O4,-6.5525526593,-2.238019219,0.2892114244,0.2892114244,GGA,P4_322,A4BC2_tP28_95_2d_a_bc:O-Ti-Zn,28.0,"Invalid WP multiplicities - A4BC2_tP28_95_7d_a_2b2c:O-Ti-Zn, expected TiZn4O14 to be TiZn2O4" +mp-1040892,Ti4ZnO9,-8.6209231446,-3.0950724248,0.1648152606,0.1648152606,GGA,P4/n,A9B4C_tP28_85_a2g_g_c:O-Ti-Zn,28.0,A9B4C_tP28_85_a2g_g_c:O-Ti-Zn +mp-1324916,Ti2Zn3O7,-7.0744886754,-2.5580690219,0.0917775189,0.0917775189,GGA,Cmc2_1,A7B2C3_oC48_36_a3b_b_ab:O-Ti-Zn,24.0,"Invalid WP multiplicities - A7B2C3_oC48_36_a4b_b_ab:O-Ti-Zn, expected Ti2Zn3O9 to be Ti2Zn3O7" +mp-635713,TiZnO3,-7.525225239,-2.7261648869,0.0953439102,0.0953439102,GGA,P-1,A3BC_aP10_2_3i_i_i:O-Ti-Zn,10.0,"Invalid WP multiplicities - A3BC_aP10_2_6i_i_i:O-Ti-Zn, expected TiZnO6 to be TiZnO3" +mp-1343137,TiZnO3,-7.516832013,-2.7177716609,0.1037371362,0.1037371362,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ti-Zn,20.0,A3BC_oP20_62_cd_a_c:O-Ti-Zn +mp-14142,TiZnO3,-7.592381316,-2.7933209639000003,0.0281878332,0.0281878332,GGA,R-3,A3BC_hR30_148_f_c_c:O-Ti-Zn,10.0,A3BC_hR30_148_f_c_c:O-Ti-Zn +mp-1078470,TiZnO3,-7.565642529,-2.7665821769,0.0549266202,0.0549266202,GGA,R3c,A3BC_hR30_161_b_a_a:O-Ti-Zn,10.0,A3BC_hR30_161_b_a_a:O-Ti-Zn +mp-1016927,TiZnO3,-7.083898968,-2.2848386159,0.5366701812,0.5366701812,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ti-Zn,5.0,A3BC_cP5_221_c_b_a:O-Ti-Zn +mp-1351134,Ti2ZnO4,-8.0371437564,-2.7746462581,0.2274848136,0.2274848136,GGA,Cm,A4B2C_mC112_8_16a8b_8a4b_8a:O-Ti-Zn,56.0,"Invalid WP multiplicities - A4B2C_mC112_8_16a16b_8a7b_8a:O-Ti-Zn, expected Ti11Zn4O24 to be Ti2ZnO4" +mp-1379379,Ti2ZnO4,-8.026154706,-2.7636572076,0.238473864,0.238473864,GGA,Cm,A4B2C_mC84_8_12a6b_6a3b_6a:O-Ti-Zn,42.0,"Invalid WP multiplicities - A4B2C_mC84_8_12a12b_6a6b_6a:O-Ti-Zn, expected Ti3ZnO6 to be Ti2ZnO4" +mp-1404033,Ti2ZnO4,-8.1093623693,-2.846864871,0.1552662007,0.1552662007,GGA,C2/m,A4B2C_mC28_12_4i_2i_i:O-Ti-Zn,14.0,"Invalid WP multiplicities - A4B2C_mC28_12_7i_3i_i:O-Ti-Zn, expected Ti3ZnO7 to be Ti2ZnO4" +mp-1041628,Ti2ZnO4,-8.0467132043,-2.784215706,0.2179153657,0.2179153657,GGA,Pbcm,A4B2C_oP28_57_cde_e_d:O-Ti-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_57_3c3d5e_e_d:O-Ti-Zn, expected Ti2ZnO16 to be Ti2ZnO4" +mp-1366888,Ti2ZnO4,-7.9851809879,-2.7226834895,0.2794475821,0.2794475821,GGA,Pmmn,A4B2C_oP28_59_2eg_ce_ab:O-Ti-Zn,28.0,A4B2C_oP28_59_2eg_ce_ab:O-Ti-Zn +mp-1370060,Ti2ZnO4,-7.9774401636,-2.7149426652,0.2871884064,0.2871884064,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:O-Ti-Zn,28.0,A4B2C_oP28_62_4c_2c_c:O-Ti-Zn +mp-1047325,Ti2ZnO4,-8.0472165421,-2.7847190438,0.2174120279,0.2174120279,GGA,Cmcm,A4B2C_oC28_63_acf_f_c:O-Ti-Zn,14.0,A4B2C_oC28_63_acf_f_c:O-Ti-Zn +mp-1041539,Ti2ZnO4,-7.9896355386,-2.7271380402,0.2749930314,0.2749930314,GGA,Imma,A4B2C_oI28_74_hi_ae_c:O-Ti-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:O-Ti-Zn, expected Ti2ZnO10 to be Ti2ZnO4" +mp-1045412,Ti2ZnO4,-7.961675655,-2.6991781567,0.302952915,0.302952915,GGA,Imma,A4B2C_oI28_74_hi_ac_b:O-Ti-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_4h3i_2a2c_b:O-Ti-Zn, expected Ti4ZnO14 to be Ti2ZnO4" +mp-1044647,Ti2ZnO4,-8.112945081,-2.8504475826,0.151683489,0.151683489,GGA,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-Ti-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c16d_2ab8d_a2b3c:O-Ti-Zn, expected Ti9Zn2O18 to be Ti2ZnO4" +mp-1044943,Ti2ZnO4,-8.0954074012,-2.8329099029,0.1692211688,0.1692211688,GGA,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-Ti-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c13d_2ab7d_a2b3c:O-Ti-Zn, expected Ti8Zn2O15 to be Ti2ZnO4" +mp-1044664,Ti2ZnO4,-8.0726229579,-2.8101254595,0.1920056121,0.1920056121,GGA,R3m,A4B2C_hR42_160_2a2b_ab_2a:O-Ti-Zn,14.0,A4B2C_hR42_160_2a2b_ab_2a:O-Ti-Zn +mp-1047249,Ti2ZnO4,-8.1299827386,-2.8674852402,0.1346458314,0.1346458314,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Ti-Zn,14.0,A4B2C_cF56_227_e_c_b:O-Ti-Zn +mp-1043918,Ti3ZnO7,-8.503068585,-3.0873376178,0.1063868226,0.1063868226,GGA,Pnma,A7B3C_oP44_62_c3d_cd_c:O-Ti-Zn,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_c3d_c2d_c:O-Ti-Zn, expected Ti5ZnO7 to be Ti3ZnO7" +mp-1374093,Ti2Zn2O5,-7.1703427206,-2.3876855195,0.3482600465,0.3482600465,GGA,Pbam,A5B2C2_oP18_55_agh_g_h:O-Ti-Zn,18.0,"Invalid WP multiplicities - A5B2C2_oP18_55_2a2g3h_g_h:O-Ti-Zn, expected TiZnO6 to be Ti2Zn2O5" +mp-1385787,Ti3Zn2O8,-7.9564576477,-2.8964981892,0.0834680752,0.0795416023,GGA,C2/m,A8B3C2_mC26_12_2ij_ah_i:O-Ti-Zn,13.0,A8B3C2_mC26_12_2ij_ah_i:O-Ti-Zn +mp-37995,Ti3Zn2O8,-7.9517537038,-2.8917942454,0.088172019,0.0842455462,GGA,R-3m,A8B3C2_hR39_166_ch_d_c:O-Ti-Zn,13.0,"Invalid WP multiplicities - A8B3C2_hR39_166_c2h_d_c:O-Ti-Zn, expected Ti3Zn2O14 to be Ti3Zn2O8" +mp-1042495,Ti3Zn2O8,-7.9951217569,-2.9351622985,0.044803966,0.0408774931,GGA,P6_3mc,A8B3C2_hP26_186_ab2c_c_2b:O-Ti-Zn,26.0,"Invalid WP multiplicities - A8B3C2_hP26_186_a2b3c_c_2b:O-Ti-Zn, expected Ti3Zn2O12 to be Ti3Zn2O8" +mp-29104,Ti3Zn2O8,-8.0399257229,-2.9799662644,0.0,-0.0039264729,GGA,P4_332,A8B3C2_cP52_212_ce_d_c:O-Ti-Zn,52.0,"Invalid WP multiplicities - A8B3C2_cP52_212_c2e_d_c:O-Ti-Zn, expected Ti3Zn2O14 to be Ti3Zn2O8" +mp-1518323,SmTi4ZnO12,-8.3052749339,-2.920799248,0.1725801068,0.1725801068,GGA,Amm2,A12BC4D_oC36_38_2cdef_a_f_b:O-Sm-Ti-Zn,18.0,"Invalid WP multiplicities - A12BC4D_oC36_38_3c2d2ef_a_f_b:O-Sm-Ti-Zn, expected SmTi4ZnO18 to be SmTi4ZnO12" +mp-1404875,Ti2ZnO5,-8.1290475881,-2.9060261882,0.1719125736,0.1719125736,GGA,Pmmn,A5B2C_oP16_59_a2e_e_b:O-Ti-Zn,16.0,A5B2C_oP16_59_a2e_e_b:O-Ti-Zn +mp-1042941,Ti2ZnO5,-8.2183327644,-2.9953113644,0.0826273973,0.0826273973,GGA,Cmcm,A5B2C_oC32_63_c2f_f_c:O-Ti-Zn,16.0,A5B2C_oC32_63_c2f_f_c:O-Ti-Zn +mp-1045652,Ti9Zn2O13,-8.49127658,-2.7460320543,0.250813239,0.250813239,GGA,C2/m,A13B9C2_mC48_12_a6i_d4i_i:O-Ti-Zn,24.0,A13B9C2_mC48_12_a6i_d4i_i:O-Ti-Zn +mp-17468,SrZrSi2O7,-8.5702989691,-3.5053306853,0.0010812873,0.0010812873,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-Si-Sr-Zr,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-Si-Sr-Zr +mp-1188010,Zr2Si2O5,-7.9638282356,-2.1105525826,1.0056303804,1.0056303804,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Si-Zr,9.0,A5B2C2_tP9_123_ci_h_ab:O-Si-Zr +mp-1020588,ZrSiO4,-9.0043224125,-3.377693495,0.1819144742,0.163555525,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Si-Zr,12.0,A4BC_mP12_13_2g_e_f:O-Si-Zr +mp-11736,ZrSiO4,-9.1066306792,-3.4800017617,0.0796062075,0.0612472583,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-Si-Zr,12.0,A4BC_tI24_88_f_a_b:O-Si-Zr +mp-4820,ZrSiO4,-9.1862368867,-3.5596079692,0.0,-0.0183589492,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-Si-Zr,12.0,A4BC_tI24_141_h_a_b:O-Si-Zr +mp-1207496,Zr(SiO)2,-7.1592471485,-1.300904326,1.0195381005,1.0195381005,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-Si-Zr,20.0,A2B2C_tI40_141_h_h_c:O-Si-Zr +mp-1207447,Zr2SiO2,-6.893422976,-0.4106036335,2.23769911,2.23769911,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:O-Si-Zr,5.0,A2BC2_tP5_123_g_a_g:O-Si-Zr +mp-1207403,ZrSiO2,-7.7763297956,-1.809730775,1.084739685,1.084739685,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-Si-Zr,16.0,A2BC_tI32_141_h_c_d:O-Si-Zr +mp-1183043,ZrSiO3,-7.983369882,-2.2207529232,1.0728000422,1.0728000422,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Zr,5.0,A3BC_cP5_221_c_b_a:O-Si-Zr +mp-7915,ZrSiO,-8.276657415,-1.9700882913,0.2592446596,0.2592446596,GGA,P4/nmm,ABC_tP6_129_c_a_c:O-Si-Zr,6.0,ABC_tP6_129_c_a_c:O-Si-Zr +mp-555314,Sr7Zr(Si2O7)3,-7.9331611497,-3.4529746949,0.0210924182,0.0210924182,GGA,R-3,A21B6C7D_hR105_148_d3f_f_bf_a:O-Si-Sr-Zr,35.0,"Invalid WP multiplicities - A21B6C7D_hR105_148_3d15f_f_b2f_a:O-Si-Sr-Zr, expected Sr13Zr(Si2O33)3 to be Sr7Zr(Si2O7)3" +mp-1019102,SmMnSi,-6.9417057117,-0.506399226,0.0,-0.0012640768,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Si-Sm,6.0,ABC_tP6_129_a_c_c:Mn-Si-Sm +mp-13473,Sm(MnSi)2,-7.350677768,-0.5720272122,0.0,-0.0556902467,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-Sm +mp-1207312,Sm2MnSi2,-5.010383432,0.8795812924,1.4865019175,1.4865019175,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Si-Sm,5.0,AB2C2_tP5_123_a_g_g:Mn-Si-Sm +mp-1208799,Sm12(MnC3)5,-7.7995364872,-0.2725648476,0.0,-0.0976558779,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Sm,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Sm +mp-1219352,Sm2Mn17C2,-8.7957205148,-0.0505413138,0.0048369409,0.0048369409,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Mn-Sm,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i4j_i:C-Mn-Sm, expected Sm2Mn29C2 to be Sm2Mn17C2" +mp-1078797,SmMnSi2,-6.7805253275,-0.5977159557,0.0,-0.0017122037,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Mn-Si-Sm,8.0,AB2C_oC16_63_c_2c_c:Mn-Si-Sm +mp-1205608,SmMn2SiC,-7.982168852,-0.4428488037,0.0,-0.065370133,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Sm +mp-1111799,Rb2ScAgI6,-3.371765436,-1.3751363007,0.0199058623,0.0199058623,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Sc +mp-1112484,Cs2ScTlI6,-3.447532894,-1.5149213844,0.0,-0.0268700035,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Sc-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Sc-Tl +mp-1096010,Cs2IBr,-2.73935115,-1.535051294,0.39275124,0.39275124,GGA,Immm,AB2C_oI8_71_a_e_b:Br-Cs-I,4.0,AB2C_oI8_71_a_e_b:Br-Cs-I +mp-1205847,Cs2PdBr6,-3.2355687911,-1.4256958429,0.0,-0.0676046906,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Pd,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Pd +mp-23099,Cs2Pd(IBr2)2,-3.1137579544,-1.3215876684,0.0015872467,-0.0024960213,GGA,C2/m,A4B2C2D_mC18_12_j_i_i_a:Br-Cs-I-Pd,9.0,A4B2C2D_mC18_12_j_i_i_a:Br-Cs-I-Pd +mp-543024,Cs2Pd(IBr2)2,-3.1153452011,-1.3231749151,0.0,-0.004083268,GGA,I4/mmm,A4B2C2D_tI18_139_h_d_e_a:Br-Cs-I-Pd,9.0,A4B2C2D_tI18_139_h_d_e_a:Br-Cs-I-Pd +mp-27662,CsI2Br,-2.45382573,-1.1050348795,0.1548111537,0.1548111537,GGA,Pnma,ABC2_oP16_62_c_c_2c:Br-Cs-I,16.0,ABC2_oP16_62_c_c_2c:Br-Cs-I +mp-998306,CsPdBr3,-3.43541506,-1.2885412256,5.9052e-05,-0.000171846,GGA,Amm2,A3BC_oC10_38_ae_a_b:Br-Cs-Pd,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Pd +mp-998307,CsPdBr3,-3.435474112,-1.2886002776,0.0,-0.000230898,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Pd,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Pd +mp-1110580,Li3AuF6,-4.156534403,-2.1095819625,0.369215756,0.369215756,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-F-Li,10.0,AB6C3_cF40_225_a_e_bc:Au-F-Li +mp-1079483,LiAuF6,-3.8472207675,-1.7657609335000002,0.0,-0.12626567,GGA,R-3,AB6C_hR24_148_a_f_b:Au-F-Li,8.0,AB6C_hR24_148_a_f_b:Au-F-Li +mp-554442,LiAuF4,-4.1588199217,-2.0206997989,0.0,-0.0849675406,GGA,P2/c,AB4C_mP24_13_ab_4g_ef:Au-F-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_13_ab_11g_2e2f:Au-F-Li, expected Li2AuF11 to be LiAuF4" +mp-12263,LiAuF4,-4.1552910483,-2.0171709256,0.0035288733,-0.0814386672,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-F-Li,12.0,"Invalid WP multiplicities - AB4C_mC24_15_c_3f_e:Au-F-Li, expected LiAuF6 to be LiAuF4" +mp-1112579,Cs2LiAuF6,-4.178206498,-2.3339581564,0.1040461535,0.1040461535,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Li,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Li +mp-1187147,SrErO3,-7.304388106,-3.0849324266,0.2229598522,0.2229598522,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Er-O-Sr,5.0,AB3C_cP5_221_b_c_a:Er-O-Sr +mp-13939,Sr2ErReO6,-8.041203307,-3.0340667901,0.0664217629,0.0664217629,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Er-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Er-O-Re-Sr +mp-1094068,SrEr2O4,-7.7477246514,-3.3746266631,0.4053742175,0.40319353,GGA,Pm,A2B4C_mP7_6_2a_a3b_b:Er-O-Sr,7.0,A2B4C_mP7_6_2a_a3b_b:Er-O-Sr +mp-1094076,SrEr2O4,-7.8628388157,-3.4897408274,0.2902600532,0.2880793657,GGA,Pm,A2B4C_mP7_6_ab_2a2b_a:Er-O-Sr,7.0,A2B4C_mP7_6_ab_2a2b_a:Er-O-Sr +mp-560445,SrEr2O4,-8.1530988689,-3.7800008806,0.0,-0.0021806875,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Er-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_6c_11c_c:Er-O-Sr, expected SrEr6O11 to be SrEr2O4" +mp-1110646,Rb2NaNdF6,-5.467320794,-3.5152593264,0.021372054,0.021372054,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Nd-Rb +mp-1220999,NaNdF4,-6.2484058422,-3.9589744096,0.0105740903,0.0105740903,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Na-Nd,18.0,A4BC_aP18_1_12a_3a_3a:F-Na-Nd +mp-34284,NaNdF4,-6.2360193789,-3.9465879462,0.0229605536,0.0229605536,GGA,P-6,A4BC_hP18_174_jkl_ah_bi:F-Na-Nd,18.0,"Invalid WP multiplicities - A4BC_hP18_174_3j3k2l_ah_bi:F-Na-Nd, expected NaNdF10 to be NaNdF4" +mp-9263,KErTe2,-4.5783645675,-1.5871821816,0.0,-0.1252927813,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-K-Te,4.0,ABC2_hR12_166_a_b_c:Er-K-Te +mp-640885,Er(CuTe)3,-4.4665687636,-0.7101035493000001,0.0043449639,-0.0056095782,GGA,Pmn2_1,A3BC3_oP28_31_2a2b_b_2a2b:Cu-Er-Te,28.0,"Invalid WP multiplicities - A3BC3_oP28_31_4a6b_b_3a6b:Cu-Er-Te, expected Er2Cu16Te15 to be Er(CuTe)3" +mp-2717767,Er(CuTe)3,-4.4709137275,-0.7144485132,0.0,-0.0099545421,GGA,Pnnm,A3BC3_oP28_58_gh_e_gh:Cu-Er-Te,28.0,"Invalid WP multiplicities - A3BC3_oP28_58_3g4h_e_3g3h:Cu-Er-Te, expected ErCu11Te9 to be Er(CuTe)3" +mp-1225130,Er(CuTe)3,-4.4237354,-0.6672701857000001,0.0471783275,0.0372237854,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Er-Te,14.0,A3BC3_hR42_148_f_c_f:Cu-Er-Te +mp-1225521,ErCuTe2,-4.810003355,-1.0716190383,0.0285627069,0.0285627069,GGA,P3m1,ABC2_hP4_156_a_b_ac:Cu-Er-Te,4.0,ABC2_hP4_156_a_b_ac:Cu-Er-Te +mp-1206650,ErCuTe2,-4.7431312425000005,-1.0047469258,0.0954348194,0.0954348194,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Er-Te,4.0,ABC2_hP4_164_a_b_d:Cu-Er-Te +mp-685943,Er7(CuTe4)3,-5.0501321073,-1.3232538164,0.022394531,0.022394531,GGA,Cm,A3B7C12_mC44_8_ab_3a2b_4a4b:Cu-Er-Te,22.0,"Invalid WP multiplicities - A3B7C12_mC44_8_ab_3a4b_4a8b:Cu-Er-Te, expected Er11Cu3Te20 to be Er7(CuTe4)3" +mp-1224443,K3Er4(CuTe2)5,-4.4534550948,-1.1111294418,0.0071107333,0.0071107333,GGA,Pmn2_1,A5B4C3D10_oP44_31_5a_4a_3a_10a:Cu-Er-K-Te,44.0,"Invalid WP multiplicities - A5B4C3D10_oP44_31_7a_6a_4a_15a:Cu-Er-K-Te, expected K4Er6Cu7Te15 to be K3Er4(CuTe2)5" +mp-989525,Cs2RbPbF6,-4.551546591,-2.7562606218,0.0,-0.0664739142,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pb-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Pb-Rb +mp-20282,CsPbF3,-4.854054985,-2.7855577161,0.0,-0.039079297,GGA,R3c,AB3C_hR30_161_a_b_a:Cs-F-Pb,10.0,AB3C_hR30_161_a_b_a:Cs-F-Pb +mp-5811,CsPbF3,-4.849617814,-2.7811205451000003,0.004437171,-0.034642126,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Pb,5.0,AB3C_cP5_221_a_c_b:Cs-F-Pb +mp-1206283,Sr2CaOsO6,-7.265415499,-2.6362068506,0.0047778619,0.0047778619,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ca-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ca-O-Os-Sr +mp-1216803,U2Cu3NiGe4,-6.151558438,-0.236289625,0.0075467325,0.0075467325,GGA,P-4m2,A3B4CD2_tP10_115_abc_2g_d_g:Cu-Ge-Ni-U,10.0,"Invalid WP multiplicities - A3B4CD2_tP10_115_abc_4g_d_g:Cu-Ge-Ni-U, expected U2Cu3NiGe8 to be U2Cu3NiGe4" +mp-4242,U3(CuGe)4,-6.4361857191,-0.1849886164,0.0,-0.0158120758,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-U,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_n_2eg_bf:Cu-Ge-U, expected U3(Cu2Ge3)2 to be U3(CuGe)4" +mp-1096594,CuNi2Ge,-3.02149777,2.0491292013,2.2771480341,2.2771480341,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ge-Ni,4.0,ABC2_oI8_71_a_b_e:Cu-Ge-Ni +mp-11833,UCuGe,-6.7680486667,-0.0968338217,0.0779826944,0.0779826944,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-U,3.0,ABC_hP3_187_a_c_f:Cu-Ge-U +mp-21388,U(CuGe)2,-5.849239746,-0.102063934,0.0827626456,0.0827626456,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-U,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-U +mp-1216774,UCuNiGe2,-6.312321468,-0.228959654,0.0544777621,0.0544777621,GGA,I-4m2,AB2CD_tI10_119_a_f_b_c:Cu-Ge-Ni-U,5.0,AB2CD_tI10_119_a_f_b_c:Cu-Ge-Ni-U +mp-541310,CaGaGe,-3.7436619058,-0.5247539867000001,0.0,-0.0241262458,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ca-Ga-Ge,12.0,ABC_hP12_194_ab_f_f:Ca-Ga-Ge +mp-643912,Ca5Ge3H,-3.6837227094,-0.6515217083,0.0,-0.0102961269,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Ca-Ge-H,18.0,A5B3C_tI36_140_cl_ah_b:Ca-Ge-H +mp-1018093,CaGaGeH,-3.7326023325,-0.4702398819,0.0,-0.0101392727,GGA,P3m1,ABCD_hP4_156_b_a_c_a:Ca-Ga-Ge-H,4.0,ABCD_hP4_156_b_a_c_a:Ca-Ga-Ge-H +mp-1207518,YbRhO3,-7.0313681245,-2.2825716677,0.0,-0.0985502555,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Yb,,A3BC_oP20_62_cd_a_c:O-Rh-Yb +mp-18134,Sr3YbRhO6,-6.7584712641,-2.790059557,0.0,-0.0530863836,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Yb,,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Yb +mp-676951,Dy3NbO7,-9.0264068973,-3.7038172119,0.0675316491,0.0675316491,GGA,P1,A3BC7_aP22_1_6a_2a_14a:Dy-Nb-O,22.0,A3BC7_aP22_1_6a_2a_14a:Dy-Nb-O +mp-1101620,Dy3NbO7,-8.8435584686,-3.5209687833,0.2503800777,0.2503800777,GGA,Cmme,A3BC7_oC44_67_cn_a_gno:Dy-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_67_cn_a_2g3n4o:Dy-Nb-O, expected Dy3NbO24 to be Dy3NbO7" +mp-1225349,Dy2ScNbO7,-9.183584825,-3.7041149337,0.057927424,0.057927424,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Dy-Nb-O-Sc,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Dy-Nb-O-Sc, expected Dy2ScNbO13 to be Dy2ScNbO7" +mp-754120,Dy2Nb2O7,-9.2127765514,-3.3906852115,0.0922199015,0.0922199015,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Dy-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2af:Dy-Nb-O, expected DyNbO4 to be Dy2Nb2O7" +mp-768227,DyNbO4,-9.2466510367,-3.4975099158000003,0.07459247,-0.0537439312,GGA,C2/m,ABC4_mC24_12_i_i_4i:Dy-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mC24_12_i_i_7i:Dy-Nb-O, expected DyNbO7 to be DyNbO4" +mp-1178380,DyNbO4,-9.3155500983,-3.5664089775,0.0056934083,-0.1226429929,GGA,P2/c,ABC4_mP12_13_e_f_2g:Dy-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_5g:Dy-Nb-O, expected DyNbO10 to be DyNbO4" +mp-556639,DyNbO4,-9.3212435067,-3.5721023858,0.0,-0.1283364012,GGA,C2/c,ABC4_mC24_15_e_e_2f:Dy-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Dy-Nb-O +mp-1440576,DyNbO4,-9.3069465075,-3.5578053867,0.0142969992,-0.1140394021,GGA,I4_1,ABC4_tI24_80_a_a_2b:Dy-Nb-O,12.0,"Invalid WP multiplicities - ABC4_tI24_80_a_a_4b:Dy-Nb-O, expected DyNbO8 to be DyNbO4" +mp-1095234,DyNbO4,-9.319379055,-3.5702379342,0.0018644517,-0.1264719496,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Dy-Nb-O,12.0,ABC4_tI24_88_a_b_f:Dy-Nb-O +mp-1095339,DyNbO4,-8.9782128567,-3.2290717358,0.34303065,0.2146942488,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Dy-Nb-O,12.0,ABC4_tI24_88_a_b_f:Dy-Nb-O +mp-768303,DyNbO4,-9.2392135517,-3.4900724308,0.082029955,-0.0463064462,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:Dy-Nb-O,12.0,ABC4_tI24_141_a_b_h:Dy-Nb-O +mp-685416,K24Zr18Se91,-4.8200786827,-1.0709348441,0.2124717171,0.2124717171,GGA,P1,A24B91C18_aP133_1_24a_91a_18a:K-Se-Zr,133.0,A24B91C18_aP133_1_24a_91a_18a:K-Se-Zr +mp-9318,KZrCuSe3,-5.387543195,-1.3467030817,0.0,-0.10615845,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-K-Se-Zr,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c2f_a:Cu-K-Se-Zr, expected KZrCuSe6 to be KZrCuSe3" +mp-1180674,KZrCu3Se4,-4.8430610333,-0.8497982003000001,0.1374402058,0.1374402058,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Zr,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Zr +mp-674338,K16Zr12Se61,-5.0298610013,-1.2816655986,0.0,-0.0335862341,GGA,P1,A16B61C12_aP89_1_16a_61a_12a:K-Se-Zr,89.0,A16B61C12_aP89_1_16a_61a_12a:K-Se-Zr +mp-1211982,LuNb6Cl13O3,-6.649761447,-2.1280299916,0.0,-0.0260930298,GGA,I4_122,A13BC6D3_tI184_98_cdf5g_c_3g_cg:Cl-Lu-Nb-O,92.0,A13BC6D3_tI184_98_cdf5g_c_3g_cg:Cl-Lu-Nb-O +mp-1189739,Ba2YGaTe5,-4.7557989606,-1.5281271292,0.0160231287,0.0160231287,GGA,Cmc2_1,A2BC5D_oC36_36_2a_a_5a_a:Ba-Ga-Te-Y,18.0,A2BC5D_oC36_36_2a_a_5a_a:Ba-Ga-Te-Y +mp-1233295,Ba4Ca(RhO3)4,-6.673372891,-1.9829445264,0.1928228587,0.1928228587,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Ca-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a8b_4a:Ba-Ca-O-Rh, expected Ba4Ca(RhO5)4 to be Ba4Ca(RhO3)4" +mp-1233683,Ba4Ca(RhO3)4,-6.7296242205,-2.039195856,0.1365715292,0.1365715292,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Ca-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a7b_4a:Ba-Ca-O-Rh, expected Ba4Ca(Rh2O9)2 to be Ba4Ca(RhO3)4" +mp-1233610,Ba4Ca(RhO3)4,-6.6506565233,-1.9602281588,0.2155392263,0.2155392263,GGA,P3m1,A4BC12D4_hP21_156_2abc_a_4d_2b2c:Ba-Ca-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_hP21_156_2abc_a_8d_2b2c:Ba-Ca-O-Rh, expected Ba4Ca(RhO6)4 to be Ba4Ca(RhO3)4" +mp-1078741,Ba2CuOsO6,-6.997111845,-2.1126462203,0.0,-0.0072689368,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-Os,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-Os +mp-1221721,MnZn(InS2)4,-4.7436792879,-0.8493869481,0.0324847325,0.0324847325,GGA,Cm,A4BC8D_mC28_8_4a_a_8a_a:In-Mn-S-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:In-Mn-S-Zn +mp-561448,Na4Ce(As2O7)2,-6.4789881597,-2.1697139898,0.0,-0.0122635044,GGA,P4/ncc,A4BC4D14_tP92_130_g_c_g_f3g:As-Ce-Na-O,92.0,"Invalid WP multiplicities - A4BC4D14_tP92_130_g_c_g_8f33g:As-Ce-Na-O, expected Na4Ce(AsO37)4 to be Na4Ce(As2O7)2" +mp-1205600,Ba2NdTaO6,-8.509693551,-3.49529283,0.0,-0.0285863586,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Nd-O-Ta,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Nd-O-Ta +mp-1205596,Ba2NdTaO6,-8.497411181,-3.48301046,0.01228237,-0.0163039886,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Ta +mp-15588,Ce(BRu)2,-8.106013336,-0.5378777807,0.0019292222,0.0019292222,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Ce-Ru,10.0,A2BC2_oF40_70_e_a_f:B-Ce-Ru +mp-1201565,Ce(BRu)4,-8.2804138781,-0.5306065005,0.0,-0.0767612039,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Ce-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Ce-Ru +mp-1226655,CeB2Ru2Rh,-8.1246693267,-0.5905050522,0.0004966946,0.0004966946,GGA,Cmmm,A2BCD2_oC12_65_g_a_c_f:B-Ce-Rh-Ru,6.0,A2BCD2_oC12_65_g_a_c_f:B-Ce-Rh-Ru +mp-1188136,CeB2Ru,-7.7266274056,-0.5850585965,0.0,-0.0347397503,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ce-Ru,16.0,A2BC_oP16_62_d_c_c:B-Ce-Ru +mp-5940,CeB2Ru3,-8.36215266,-0.5096392739,0.0,-0.0408365769,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ce-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Ce-Ru +mp-1235068,Ba3Li(AsO4)2,-6.4748884693,-2.4350603131,0.1592819705,0.1592819705,GGA,C2,A2B3CD8_mC28_5_c_ac_a_4c:As-Ba-Li-O,14.0,"Invalid WP multiplicities - A2B3CD8_mC28_5_c_ac_a_7c:As-Ba-Li-O, expected Ba3Li(AsO7)2 to be Ba3Li(AsO4)2" +mp-1235483,Ba3Li(AsO4)2,-6.478331345,-2.4385031888,0.1558390948,0.1558390948,GGA,Cm,A2B3CD8_mC28_8_2a_3a_a_4a2b:As-Ba-Li-O,14.0,"Invalid WP multiplicities - A2B3CD8_mC28_8_2a_3a_a_4a3b:As-Ba-Li-O, expected Ba3Li(AsO5)2 to be Ba3Li(AsO4)2" +mp-1233001,Ba3Li(AsO4)2,-6.4344626464,-2.3946344902,0.1997077934,0.1997077934,GGA,R3m,A2B3CD8_hR42_160_2a_3a_a_2a2b:As-Ba-Li-O,14.0,A2B3CD8_hR42_160_2a_3a_a_2a2b:As-Ba-Li-O +mp-1235212,Ba3Li(AsO4)2,-6.5016504207,-2.4618222645,0.1325200191,0.1325200191,GGA,P-3m1,A2B3CD8_hP14_164_d_ad_b_di:As-Ba-Li-O,14.0,A2B3CD8_hP14_164_d_ad_b_di:As-Ba-Li-O +mp-1235038,Ba3Li(AsO4)2,-6.4548805493,-2.4150523931,0.1792898905,0.1792898905,GGA,R-3m,A2B3CD8_hR42_166_c_ac_b_ch:As-Ba-Li-O,14.0,A2B3CD8_hR42_166_c_ac_b_ch:As-Ba-Li-O +mp-1208997,Sc2TiB2Ir5,-8.705500685,-0.8943622182000001,0.0,-0.0176245428,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-Ti,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-Ti +mp-1226293,Cr4InAgS8,-6.4585703514,-0.9379968837,0.0,-0.0343900175,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Ag-Cr-In-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Ag-Cr-In-S +mp-1041225,HoCr2O6,-8.2872715572,-2.3352008819,0.2031951906,0.2031951906,GGA+U,Pmn2_1,A2BC6_oP18_31_b_a_2a2b:Cr-Ho-O,18.0,"Invalid WP multiplicities - A2BC6_oP18_31_b_a_4a4b:Cr-Ho-O, expected HoCr2O12 to be HoCr2O6" +mp-1212114,HoCrO2,-8.4997519819,-2.4675435413,0.5595301578,0.5595301578,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Cr-Ho-O,16.0,ABC2_tI32_141_c_d_h:Cr-Ho-O +mp-19055,HoCrO4,-8.4311150192,-2.7607464883,0.0225730917,-0.0409735883,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Cr-Ho-O,12.0,ABC4_tI24_88_a_b_f:Cr-Ho-O +mp-19076,HoCrO4,-8.4536881108,-2.78331958,0.0,-0.0635466799,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Ho-O,12.0,ABC4_tI24_141_a_b_h:Cr-Ho-O +mp-1041120,HoZnCr2O6,-7.984923694,-2.5020857253,0.1227228091,0.1227228091,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Cr-Ho-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Cr-Ho-O-Zn, expected HoZnCr2O12 to be HoZnCr2O6" +mp-756834,HoCrO3,-9.0456503135,-3.2305458188,0.0,-0.0296547166,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Ho-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Ho-O +mp-1212589,HoCr2O2,-7.860229236,-1.1038529895,1.3178059698,1.3178059698,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:Cr-Ho-O,20.0,A2BC2_tI40_141_h_c_h:Cr-Ho-O +mp-19485,Ba5Gd8Mn4O21,-8.7352895632,-1.8212796494,1.4030939929,1.4030939929,GGA+U,I4/m,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Gd-Mn-O,38.0,"Invalid WP multiplicities - A5B8C4D21_tI76_87_ah_2h_h_b2h2i:Ba-Gd-Mn-O, expected Ba5Gd8Mn4O25 to be Ba5Gd8Mn4O21" +mp-510575,GdMnO3,-10.598357227,-2.9827164938,0.0,-0.0099683777,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Gd-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Gd-Mn-O +mp-703682,GdMn2O5,-9.7665742178,-2.6248746703,0.0,-0.0831725606,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Gd-Mn-O,32.0,"Invalid WP multiplicities - AB2C5_oP32_55_g_2eh_3f4g3h3i:Gd-Mn-O, expected GdMn3O16 to be GdMn2O5" +mp-510248,BaGd2Mn2O7,-9.8966494985,-2.9781435833,0.0137514299,0.0137514299,GGA+U,P4_2/mnm,AB2C2D7_tP48_136_f_j_j_2eghj:Ba-Gd-Mn-O,48.0,AB2C2D7_tP48_136_f_j_j_2eghj:Ba-Gd-Mn-O +mp-1238790,GdMn2O4,-10.0477928129,-2.5925202887000003,0.1073754246,0.1073754246,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Gd-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i2j:Gd-Mn-O, expected GdMn2O8 to be GdMn2O4" +mp-1102538,Co2ClO3,-6.134679675,-0.983806611,0.0902423941,0.0902423941,GGA+U,R-3m,AB2C3_hR36_166_c_ad_h:Cl-Co-O,12.0,AB2C3_hR36_166_c_ad_h:Cl-Co-O +mp-28137,Co(ClO4)2,-5.1433829766,-0.5634829034000001,0.0,-0.0210905848,GGA+U,R-3,A2BC8_hR33_148_c_a_cf:Cl-Co-O,44.0,A2BC8_hR33_148_c_a_cf:Cl-Co-O +mp-1069855,Co(ClO)2,-4.422679002,-0.2829252945,0.4722416138,0.4722416138,GGA+U,C2/m,A2BC2_mC10_12_i_a_g:Cl-Co-O,5.0,A2BC2_mC10_12_i_a_g:Cl-Co-O +mp-1080031,Co(ClO3)2,-4.3840666433,0.1143248436,0.7164922810000001,0.7164922810000001,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Co-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Co-O +mp-1080182,Co(ClO3)2,-4.1036529111,0.3947385758,0.9969060132,0.9969060132,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Co-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Co-O +mp-1181665,Co(ClO3)2,-4.3878305878,0.1105608992,0.7127283365,0.7127283365,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Co-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Co-O +mp-551131,Co2AsClO4,-6.5655514787,-1.5016707912,0.0,-0.0497475887,GGA+U,P2_1/m,ABC2D4_mP16_11_e_e_ae_2ef:As-Cl-Co-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_11_e_e_2a2e_4e3f:As-Cl-Co-O, expected Co4AsClO10 to be Co2AsClO4" +mp-1104894,Cu(Mo3Se4)2,-7.1740748367,-0.6980482266,0.0921278333,0.0921278333,GGA,R-3,AB6C8_hR45_148_a_f_cf:Cu-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Cu-Mo-Se +mp-571054,Cu2Mo3Se4,-6.6630819267,-0.5831919733,0.0752880767,0.0752880767,GGA,P-1,A2B3C4_aP18_2_2i_3i_4i:Cu-Mo-Se,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_2i_5i_8i:Cu-Mo-Se, expected Cu2Mo5Se8 to be Cu2Mo3Se4" +mp-1200069,Cu2MoSeO7,-6.5546275552,-1.3576461092,0.0151465973,0.0151465973,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:Cu-Mo-O-Se,44.0,A2BC7D_mP44_14_2e_e_7e_e:Cu-Mo-O-Se +mp-1378723,TaZn2BiO6,-6.956071184,-2.1662825592,0.1777646392,0.1777646392,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Bi-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Bi-O-Ta-Zn, expected TaZn3BiO18 to be TaZn2BiO6" +mp-1218076,Ta3Zn2Bi3O14,-7.8965543445,-2.4934666419,0.051493989,0.051493989,GGA,R-3m,A3B14C3D2_hR66_166_d_c2h_e_ab:Bi-O-Ta-Zn,22.0,"Invalid WP multiplicities - A3B14C3D2_hR66_166_d_c4h_e_ab:Bi-O-Ta-Zn, expected Ta3Zn2Bi3O26 to be Ta3Zn2Bi3O14" +mp-1043680,TaZnBiO5,-7.5873308834,-2.3758991427,0.1062760406,0.1062760406,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-Ta-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-Ta-Zn, expected TaZnBiO15 to be TaZnBiO5" +mp-1042413,TaZnBiO5,-7.5764366684,-2.3650049277000003,0.1171702556,0.1171702556,GGA,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-Ta-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-Ta-Zn, expected TaZnBiO31 to be TaZnBiO5" +mp-540658,Na3Fe5O9,-7.1102255024,-1.766820777,0.0084137559,0.0084137559,GGA+U,C2/c,A5B3C9_mC68_15_e2f_ef_e4f:Fe-Na-O,34.0,A5B3C9_mC68_15_e2f_ef_e4f:Fe-Na-O +mp-757415,Na2FeO2,-5.7113818455,-1.5096920016,0.0827522132,0.0827522132,GGA+U,P2_1/c,AB2C2_mP20_14_e_2e_2e:Fe-Na-O,20.0,AB2C2_mP20_14_e_2e_2e:Fe-Na-O +mp-754743,Na2FeO2,-5.726558192,-1.5248683481,0.0675758667,0.0675758667,GGA+U,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Fe-Na-O,20.0,AB2C2_oC20_36_a_2a_2a:Fe-Na-O +mp-777513,Na2FeO2,-5.691481511,-1.4897916671,0.1026525477,0.1026525477,GGA+U,Pbcn,AB2C2_oP40_60_d_2cd_2d:Fe-Na-O,40.0,"Invalid WP multiplicities - AB2C2_oP40_60_d_6c2d_5d:Fe-Na-O, expected Na5FeO5 to be Na2FeO2" +mp-1176388,Na2FeO2,-5.7447808590000005,-1.5430910151,0.0493531997,0.0493531997,GGA+U,Immm,AB2C2_oI10_71_a_e_f:Fe-Na-O,10.0,AB2C2_oI10_71_a_e_f:Fe-Na-O +mp-1280477,Na4FeO5,-5.3202395128,-1.4708829187,0.0356111939,0.0356111939,GGA+U,P1,AB4C5_aP40_1_4a_16a_20a:Fe-Na-O,40.0,AB4C5_aP40_1_4a_16a_20a:Fe-Na-O +mp-1279763,Na4FeO5,-5.3089333375,-1.4595767435,0.0469173692,0.0469173692,GGA+U,P1,AB4C5_aP20_1_2a_8a_10a:Fe-Na-O,20.0,AB4C5_aP20_1_2a_8a_10a:Fe-Na-O +mp-1279528,Na4FeO5,-5.3216983318,-1.4723417377,0.0341523749,0.0341523749,GGA+U,P1,AB4C5_aP40_1_4a_16a_20a:Fe-Na-O,40.0,AB4C5_aP40_1_4a_16a_20a:Fe-Na-O +mp-800100,Na4FeO5,-3.032029554,0.81732704,2.3238211527,2.3238211527,GGA+U,P-1,AB4C5_aP40_2_2i_be7i_10i:Fe-Na-O,40.0,"Invalid WP multiplicities - AB4C5_aP40_2_3i_be14i_19i:Fe-Na-O, expected Na15Fe3O19 to be Na4FeO5" +mp-764836,Na4FeO5,-5.3392003038,-1.4898437097,0.0166504029,0.0166504029,GGA+U,P-1,AB4C5_aP40_2_2i_be7i_10i:Fe-Na-O,40.0,"Invalid WP multiplicities - AB4C5_aP40_2_3i_be14i_19i:Fe-Na-O, expected Na15Fe3O19 to be Na4FeO5" +mp-759025,Na4FeO5,-5.3170536885,-1.4676970945,0.0387970182,0.0387970182,GGA+U,P-1,AB4C5_aP20_2_i_bc3i_5i:Fe-Na-O,20.0,"Invalid WP multiplicities - AB4C5_aP20_2_i_bc5i_9i:Fe-Na-O, expected Na6FeO9 to be Na4FeO5" +mp-1289684,Na4FeO5,-5.3080544247,-1.4586978307,0.0477962819,0.0477962819,GGA+U,C2/c,AB4C5_mC80_15_2e_4f_2e4f:Fe-Na-O,40.0,"Invalid WP multiplicities - AB4C5_mC80_15_2e_10f_3e10f:Fe-Na-O, expected Na20Fe2O23 to be Na4FeO5" +mp-1273693,Na4FeO5,-5.3098354893,-1.4604788952,0.0460152174,0.0460152174,GGA+U,P4/n,AB4C5_tP40_85_2c_2g_2c2g:Fe-Na-O,40.0,"Invalid WP multiplicities - AB4C5_tP40_85_2c_7g_3c7g:Fe-Na-O, expected Na28Fe2O31 to be Na4FeO5" +mp-2408554,Na4FeO5,-5.331205495,-1.481848901,0.0246452117,0.0246452117,GGA+U,P4/n,AB4C5_tP20_85_c_g_cg:Fe-Na-O,40.0,AB4C5_tP20_85_c_g_cg:Fe-Na-O +mp-759165,Na4FeO5,-5.2898030788,-1.4404464847,0.0660476279,0.0660476279,GGA+U,I4/m,AB4C5_tI20_87_a_h_bh:Fe-Na-O,40.0,AB4C5_tI20_87_a_h_bh:Fe-Na-O +mp-13745,Na5FeO4,-5.1219836525,-1.6350434003,0.0054579155,-0.0001821463,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_10c_4c:Fe-Na-O, expected Na10FeO4 to be Na5FeO4" +mp-760318,Na5FeO4,-5.127441568,-1.6405013158,0.0,-0.0056400618,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Fe-Na-O, expected Na17FeO13 to be Na5FeO4" +mp-1579563,Na14Fe2O9,-4.6724847272000005,-1.47346093,0.0346154056,0.0346154056,GGA+U,P-1,A2B14C9_aP25_2_i_7i_a4i:Fe-Na-O,25.0,"Invalid WP multiplicities - A2B14C9_aP25_2_i_11i_a6i:Fe-Na-O, expected Na22Fe2O13 to be Na14Fe2O9" +mp-1176424,Na14Fe2O9,-4.6725871502,-1.473563353,0.0345129826,0.0345129826,GGA+U,P-3,A2B14C9_hP25_147_d_c2g_adg:Fe-Na-O,50.0,"Invalid WP multiplicities - A2B14C9_aP25_1_4a_14a_9a:Fe-Na-O, expected Na14Fe4O9 to be Na14Fe2O9" +mp-761093,Na3Fe5O8,-7.0103318014,-1.6421323251,0.0808886467,0.0808886467,GGA+U,P1,A5B3C8_aP64_1_20a_12a_32a:Fe-Na-O,64.0,A5B3C8_aP64_1_20a_12a_32a:Fe-Na-O +mp-18917,Na7Fe3O8,-5.8335304625,-1.7090165528,0.0187557264,0.0187557264,GGA+U,P-1,A3B7C8_aP36_2_3i_7i_8i:Fe-Na-O,36.0,"Invalid WP multiplicities - A3B7C8_aP36_2_4i_7i_11i:Fe-Na-O, expected Na7Fe4O11 to be Na7Fe3O8" +mp-1244517,Na3FeO3,-5.5416325904,-1.6448235583000002,0.0613666718,0.0501089923,GGA+U,P1,AB3C3_aP28_1_4a_12a_12a:Fe-Na-O,28.0,AB3C3_aP28_1_4a_12a_12a:Fe-Na-O +mp-558570,Na3FeO3,-5.6029992621,-1.7061902301,0.0,-0.0112576795,GGA+U,Cc,AB3C3_mC56_9_2a_6a_6a:Fe-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mC56_9_3a_11a_11a:Fe-Na-O, expected Na11Fe3O11 to be Na3FeO3" +mp-30947,Na3FeO3,-5.5912026921,-1.6943936601,0.01179657,0.0005388905,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_4e_4e:Fe-Na-O, expected Na4FeO4 to be Na3FeO3" +mp-1221040,NaFe3O4,-7.30062622,-1.4857082489,0.1570242437,0.1570242437,GGA+U,R3m,A3BC4_hR24_160_3a_a_4a:Fe-Na-O,,A3BC4_hR24_160_3a_a_4a:Fe-Na-O +mp-754432,Na2FeO4,-5.7406608957,-1.3261142326,0.0960964243,0.0960964243,GGA+U,P-1,AB2C4_aP14_2_i_2i_4i:Fe-Na-O,14.0,AB2C4_aP14_2_i_2i_4i:Fe-Na-O +mp-754543,Na2FeO4,-5.6870787746,-1.2725321115,0.1496785454,0.1496785454,GGA+U,Pnnm,AB2C4_oP28_58_g_eg_2gh:Fe-Na-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_58_g_2e2g_6g3h:Fe-Na-O, expected Na4FeO12 to be Na2FeO4" +mp-19044,Na2FeO4,-5.7663994186,-1.3518527554,0.0703579014,0.0703579014,GGA+U,Cmcm,AB2C4_oC28_63_c_ac_fg:Fe-Na-O,14.0,AB2C4_oC28_63_c_ac_fg:Fe-Na-O +mp-1221268,Na4(Fe2O3)5,-7.301103721,-1.6393573782000002,0.0595175812,0.0595175812,GGA+U,P-1,A10B4C15_aP29_2_5i_2i_a7i:Fe-Na-O,29.0,"Invalid WP multiplicities - A10B4C15_aP29_2_10i_3i_a13i:Fe-Na-O, expected Na6Fe20O27 to be Na4(Fe2O3)5" +mp-759974,NaFe5O8,-7.6423134929,-1.6961605619,0.038966945,0.038966945,GGA+U,R-3m,A5BC8_hR42_166_cd_a_ch:Fe-Na-O,14.0,"Invalid WP multiplicities - A5BC8_hR42_166_2c3d_a_c2h:Fe-Na-O, expected NaFe13O14 to be NaFe5O8" +mp-1101666,NaFe5O8,-7.5974518212,-1.6512988903,0.0838286166,0.0838286166,GGA+U,P4_332,A5BC8_cP56_212_cd_a_ce:Fe-Na-O,56.0,"Invalid WP multiplicities - A5BC8_cP56_212_4c4d_a_8c8e:Fe-Na-O, expected Na(Fe5O16)4 to be NaFe5O8" +mp-1305509,Na2FeO3,-5.9644596533000005,-1.6386033316000002,0.0,-0.0002869361,GGA+U,P-1,AB2C3_aP12_2_i_bdi_3i:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_bdi_5i:Fe-Na-O, expected Na2FeO5 to be Na2FeO3" +mp-1306929,Na2FeO3,-5.9614524075,-1.6355960857,0.0030072458,0.0027203097,GGA+U,P-1,AB2C3_aP24_2_2i_4i_6i:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_aP24_2_2i_5i_11i:Fe-Na-O, expected Na5Fe2O11 to be Na2FeO3" +mp-754373,Na2FeO3,-5.8807501092,-1.5548937874000002,0.0837095442,0.0834226081,GGA+U,Cmce,AB2C3_oC48_64_f_2f_e2f:Fe-Na-O,24.0,AB2C3_oC48_64_f_2f_e2f:Fe-Na-O +mp-1273579,Na2FeO3,-5.9620892442,-1.6362329224,0.0023704092,0.0020834731,GGA+U,C2,AB2C3_mC24_5_2a_a3b_3c:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC24_5_4a_a3b_4c:Fe-Na-O, expected NaFeO2 to be Na2FeO3" +mp-1573889,Na2FeO3,-5.9615723567,-1.6357160349000002,0.0028872967,0.0026003606,GGA+U,C2,AB2C3_mC48_5_2a2b_ab3c_6c:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_5_2a2b_ab3c_10c:Fe-Na-O, expected Na2FeO5 to be Na2FeO3" +mp-764074,Na2FeO3,-5.9637889875,-1.6379326657000002,0.0006706658,0.0003837297,GGA+U,Cc,AB2C3_mC24_9_a_2a_3a:Fe-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_9_a_3a_5a:Fe-Na-O, expected Na3FeO5 to be Na2FeO3" +mp-760247,Na2FeO3,-5.9600888967,-1.6342325749,0.0043707567,0.0040838206,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Fe-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_ach_2ij:Fe-Na-O, expected Na2FeO4 to be Na2FeO3" +mp-1314196,Na2FeO3,-5.9606643513,-1.6348080295,0.0037953021,0.003508366,GGA+U,P2/c,AB2C3_mP24_13_2e_e3f_3g:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_13_2e_e4f_7g:Fe-Na-O, expected Na5(FeO7)2 to be Na2FeO3" +mp-755490,Na2FeO3,-5.9043103029,-1.5784539811,0.0601493504,0.0598624143,GGA+U,P2_1/c,AB2C3_mP24_14_e_2e_3e:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_3e_5e:Fe-Na-O, expected Na3FeO5 to be Na2FeO3" +mp-759516,Na2FeO3,-5.9626049488,-1.636748627,0.0018547046,0.0015677685,GGA+U,C2/c,AB2C3_mC48_15_2e_cef_3f:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2a2e3f_11f:Fe-Na-O, expected Na10Fe3O22 to be Na2FeO3" +mp-755627,Na2FeO3,-5.9116329317,-1.5857766099,0.0528267217,0.0525397856,GGA+U,Cmc2_1,AB2C3_oC24_36_a_b_ab:Fe-Na-O,12.0,AB2C3_oC24_36_a_b_ab:Fe-Na-O +mp-779908,Na2FeO3,-5.9497666313,-1.6239103095,0.0146930221,0.014406086,GGA+U,Fdd2,AB2C3_oF96_43_b_2b_2a2b:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oF96_70_e_5e_2f2h:Fe-Na-O, expected Na5FeO6 to be Na2FeO3" +mp-755324,Na2FeO3,-5.9138169383,-1.5879606166,0.050642715,0.0503557789,GGA+U,Pnma,AB2C3_oP24_62_c_d_cd:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_d_2c3d:Fe-Na-O, expected Na2FeO8 to be Na2FeO3" +mp-1176389,Na2FeO3,-5.8896986883,-1.5638423666,0.074760965,0.0744740289,GGA+U,Pnma,AB2C3_oP24_62_c_d_a2c:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_d_2a6c:Fe-Na-O, expected Na2FeO8 to be Na2FeO3" +mp-757147,Na2FeO3,-5.8917373675,-1.5658810457,0.0727222858,0.0724353497,GGA+U,Cmcm,AB2C3_oC24_63_c_e_ag:Fe-Na-O,12.0,AB2C3_oC24_63_c_e_ag:Fe-Na-O +mp-891361,Na2FeO3,-5.9623121279,-1.6364558061,0.0021475254,0.0018605893,GGA+U,Fddd,AB2C3_oF96_70_e_2e_fh:Fe-Na-O,24.0,AB2C3_oF96_70_e_2e_fh:Fe-Na-O +mp-758484,Na2FeO3,-5.9481426696,-1.6222863478,0.0163169837,0.0160300476,GGA+U,P6_3/mcm,AB2C3_hP24_193_d_bg_k:Fe-Na-O,24.0,"Invalid WP multiplicities - AB2C3_hP24_193_d_b2g_k:Fe-Na-O, expected Na7(FeO3)2 to be Na2FeO3" +mp-1120771,Na2Fe4O7,-7.1109129,-1.6376854842,0.1289106123,0.1289106123,GGA+U,P-31m,A4B2C7_hP13_162_de_c_ak:Fe-Na-O,13.0,"Invalid WP multiplicities - A4B2C7_hP13_162_de_c_a2k:Fe-Na-O, expected Na2Fe4O13 to be Na2Fe4O7" +mp-764460,Na5Fe11O16,-7.2483484853,-1.6567897616,0.0260869706,0.0260869706,GGA+U,Cm,A11B5C16_mC64_8_7a2b_a2b_8a4b:Fe-Na-O,32.0,"Invalid WP multiplicities - A11B5C16_mC64_8_7a3b_a3b_8a7b:Fe-Na-O, expected Na7Fe13O22 to be Na5Fe11O16" +mp-759854,Na5Fe11O16,-7.2232215334,-1.6316628098,0.0512139225,0.0512139225,GGA+U,C2/m,A11B5C16_mC64_12_abc2ij_def_4i2j:Fe-Na-O,32.0,"Invalid WP multiplicities - A11B5C16_mC64_12_abc3i2j_de2f_8i7j:Fe-Na-O, expected Na7Fe17O44 to be Na5Fe11O16" +mp-21060,NaFeO2,-6.67493693,-1.7534559485,0.0498535025,-0.004319081,GGA+U,Pna2_1,ABC2_oP16_33_a_a_2a:Fe-Na-O,16.0,"Invalid WP multiplicities - ABC2_oP16_33_a_a_6a:Fe-Na-O, expected NaFeO6 to be NaFeO2" +mp-21880,NaFeO2,-6.69776746,-1.7762864785,0.0270229725,-0.027149611,GGA+U,P4_12_12,ABC2_tP16_92_a_a_b:Fe-Na-O,16.0,ABC2_tP16_92_a_a_b:Fe-Na-O +mp-19359,NaFeO2,-6.7247904325,-1.803309451,0.0,-0.0541725835,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Fe-Na-O,16.0,ABC2_hR12_166_a_b_c:Fe-Na-O +mp-971633,NaFeO2,-6.6407232225,-1.719242241,0.08406721,0.0298946265,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Fe-Na-O,8.0,ABC2_hP8_194_a_c_f:Fe-Na-O +mp-755280,Na6FeO4,-4.7529137702,-1.4627385143,0.054762807,0.054762807,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Fe-Na-O,44.0,AB6C4_tP22_137_a_df_g:Fe-Na-O +mp-16398,Na9Fe2O7,-5.1032965464,-1.5772081553,0.0217167542,0.0217167542,GGA+U,Pca2_1,A2B9C7_oP72_29_2a_9a_7a:Fe-Na-O,72.0,A2B9C7_oP72_29_2a_9a_7a:Fe-Na-O +mp-19026,Na4FeO3,-5.1066730119,-1.5316494472,0.0153049544,0.0153049544,GGA+U,Cc,AB4C3_mC32_9_a_4a_3a:Fe-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_7a_4a:Fe-Na-O, expected Na7FeO4 to be Na4FeO3" +mp-1195898,Na4FeO3,-5.11077419,-1.5357506253,0.0112037763,0.0112037763,GGA+U,P2_1/c,AB4C3_mP64_14_2e_8e_6e:Fe-Na-O,64.0,AB4C3_mP64_14_2e_8e_6e:Fe-Na-O +mp-766058,Na(Fe2O3)4,-7.7196225352,-1.6032911301,0.1021028936,0.1021028936,GGA+U,C2/m,A8BC12_mC84_12_e5ij_ad_6i3j:Fe-Na-O,42.0,"Invalid WP multiplicities - A8BC12_mC84_12_e9i2j_ac_10i8j:Fe-Na-O, expected Na(Fe7O13)2 to be Na(Fe2O3)4" +mp-19022,Na4FeO4,-5.3621940694,-1.6347632662,0.0,-0.0169863574,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Fe-Na-O,18.0,AB4C4_aP18_2_i_4i_4i:Fe-Na-O +mp-1101699,NaFe11O17,-7.7697306459,-1.6115766219,0.1094442759,0.1094442759,GGA+U,C2,A11BC17_mC116_5_ab10c_c_17c:Fe-Na-O,58.0,A11BC17_aP58_1_22a_2a_34a:Fe-Na-O +mp-1101709,NaFe12O19,-7.7460509442,-1.5913676527,0.1017336866,0.1017336866,GGA+U,Cmc2_1,A12BC19_oC128_36_8a2b_a_9a5b:Fe-Na-O,64.0,A12BC19_aP64_1_24a_2a_38a:Fe-Na-O +mp-1101708,NaFe12O19,-7.74517205,-1.5904887585,0.1026125808,0.1026125808,GGA+U,P-3m1,A12BC19_hP64_164_abc4d2i_d_2c2d5i:Fe-Na-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_164_ab2c8d11i_d_3c4d26i:Fe-Na-O, expected NaFe44O85 to be NaFe12O19" +mp-1101695,NaFe12O19,-7.7463015675,-1.5916182760000002,0.1014830633,0.1014830633,GGA+U,P6_3/mmc,A12BC19_hP64_194_ab2fk_c_efh2k:Fe-Na-O,64.0,"Invalid WP multiplicities - A12BC19_hP64_194_2a2b6f5k_c_3e2f5h12k:Fe-Na-O, expected NaFe46O97 to be NaFe12O19" +mp-37749,Na10Fe4O9,-5.4873865965,-1.5036676324,0.0764439691,0.0764439691,GGA+U,Cm,A4B10C9_mC92_8_4a2b_4a8b_6a6b:Fe-Na-O,46.0,"Invalid WP multiplicities - A4B10C9_mC92_8_4a2b_4a10b_6a6b:Fe-Na-O, expected Na12Fe4O9 to be Na10Fe4O9" +mp-779838,Na7(FeO4)2,-5.4176719849,-1.5487761517,0.0489385515,0.0489385515,GGA+U,P-1,A2B7C8_aP68_2_4i_14i_16i:Fe-Na-O,68.0,"Invalid WP multiplicities - A2B7C8_aP68_2_7i_27i_31i:Fe-Na-O, expected Na27Fe7O31 to be Na7(FeO4)2" +mp-778606,Na7(FeO4)2,-5.4120095412,-1.543113708,0.0546009952,0.0546009952,GGA+U,P2_1/c,A2B7C8_mP68_14_2e_7e_8e:Fe-Na-O,68.0,"Invalid WP multiplicities - A2B7C8_aP68_2_7i_27i_31i:Fe-Na-O, expected Na27Fe7O31 to be Na7(FeO4)2" +mp-752590,Na2Fe2O5,-6.428169925,-1.5038880847,0.0990536496,0.0990536496,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Fe-Na-O,18.0,"Invalid WP multiplicities - A2B2C5_oI36_46_2a2b_c_2b3c:Fe-Na-O, expected Na(FeO2)2 to be Na2Fe2O5" +mp-757315,Na2Fe2O5,-6.4178702817,-1.4935884413,0.1093532929,0.1093532929,GGA+U,Pnma,A2B2C5_oP36_62_ac_d_c2d:Fe-Na-O,36.0,"Invalid WP multiplicities - A2B2C5_oP36_62_2a2c_d_4c5d:Fe-Na-O, expected NaFe2O7 to be Na2Fe2O5" +mp-1277703,Na3FeO4,-5.5539598616,-1.5259158696,0.0301192001,0.0301192001,GGA+U,P2_1,AB3C4_mP16_4_a_3a_4a:Fe-Na-O,32.0,AB3C4_mP16_4_a_3a_4a:Fe-Na-O +mp-764457,Na3FeO4,-5.5792614928,-1.5512175009,0.0048175689,0.0048175689,GGA+U,C2/m,AB3C4_mC64_12_hi_abfghj_2i3j:Fe-Na-O,32.0,"Invalid WP multiplicities - AB3C4_mC64_12_h2i_ab2e2gh2j_4i5j:Fe-Na-O, expected Na10Fe3O14 to be Na3FeO4" +mp-755143,Na3FeO4,-5.5738118647,-1.5457678728,0.010267197,0.010267197,GGA+U,P2/c,AB3C4_mP16_13_e_e2f_2g:Fe-Na-O,32.0,AB3C4_mP16_13_e_e2f_2g:Fe-Na-O +mp-754617,Na3FeO4,-5.5506318056,-1.5225878137,0.033447256,0.033447256,GGA+U,Pmn2_1,AB3C4_oP16_31_a_ab_2ab:Fe-Na-O,16.0,"Invalid WP multiplicities - AB3C4_oP16_31_a_2a2b_4a2b:Fe-Na-O, expected Na6FeO8 to be Na3FeO4" +mp-774374,Na3FeO4,-5.5325593514,-1.5045153595,0.0515197103,0.0515197103,GGA+U,Pbca,AB3C4_oP64_61_c_3c_4c:Fe-Na-O,64.0,"Invalid WP multiplicities - AB3C4_oP64_61_c_9c_13c:Fe-Na-O, expected Na9FeO13 to be Na3FeO4" +mp-780695,Na3FeO4,-5.5143257466,-1.4862817546,0.0697533151,0.0697533151,GGA+U,Pnma,AB3C4_oP32_62_c_cd_2cd:Fe-Na-O,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_2c3d_5c4d:Fe-Na-O, expected Na8FeO13 to be Na3FeO4" +mp-1221054,NaFeRuO4,-7.1442345646,-1.5937054377000002,0.0618328604,0.0618328604,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:Fe-Na-O-Ru,28.0,ABC4D_oP28_62_c_c_4c_c:Fe-Na-O-Ru +mp-505170,NaFe3O5,-7.3974081175,-1.6789600642,0.0713189858,0.0713189858,GGA+U,Pnnm,A3BC5_oP36_58_ac2g_g_5g:Fe-Na-O,36.0,A3BC5_oP36_58_ac2g_g_5g:Fe-Na-O +mp-764501,Na8FeO6,-4.7866133073,-1.537922919,0.0185189503,0.0185189503,GGA+U,Cc,AB8C6_mC60_9_a_8a_6a:Fe-Na-O,30.0,"Invalid WP multiplicities - AB8C6_mC60_9_a_13a_8a:Fe-Na-O, expected Na13FeO8 to be Na8FeO6" +mp-27557,Na8Fe2O7,-5.3251418532,-1.6694321035000002,0.0,-0.0018824112,GGA+U,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Fe-Na-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_2e_13e_7e:Fe-Na-O, expected Na13Fe2O7 to be Na8Fe2O7" +mp-675397,NaFe2O3,-7.1271063475,-1.6100007063,0.0862574392,0.0862574392,GGA+U,C2/m,A2BC3_mC48_12_2ij_j_adghij:Fe-Na-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_3i3j_j_ac2gh2i4j:Fe-Na-O, expected Na2Fe9O14 to be NaFe2O3" +mp-18728,NaFe2O3,-7.1125798367,-1.5954741955,0.10078395,0.10078395,GGA+U,P-3m1,A2BC3_hP6_164_d_a_bd:Fe-Na-O,6.0,A2BC3_hP6_164_d_a_bd:Fe-Na-O +mp-19396,Na4Fe2O5,-5.975736877,-1.7063198634,0.035186447,0.035186447,GGA+U,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Fe-Na-O,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_3e_7e_9e:Fe-Na-O, expected Na7(FeO3)3 to be Na4Fe2O5" +mp-781012,Na4Fe6O13,-6.7435241033,-1.507994465,0.1177544421,0.1177544421,GGA+U,Iba2,A6B4C13_oI92_45_3c_2c_a6c:Fe-Na-O,46.0,"Invalid WP multiplicities - A6B4C13_oI92_45_9c_5c_a21c:Fe-Na-O, expected Na10Fe18O43 to be Na4Fe6O13" +mp-850232,Na(FeO2)2,-7.0227943796,-1.5871768713,0.0532337897,0.0532337897,GGA+U,P1,A2BC4_aP28_1_8a_4a_16a:Fe-Na-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_7_7a_3a_16a:Fe-Na-O, expected Na3Fe7O16 to be Na(FeO2)2" +mp-1221411,Na(FeO2)2,-7.0368101529,-1.6011926445,0.0392180165,0.0392180165,GGA+U,P-1,A2BC4_aP7_2_cd_b_2i:Fe-Na-O,7.0,"Invalid WP multiplicities - A2BC4_aP7_2_cd_b_4i:Fe-Na-O, expected Na(FeO4)2 to be Na(FeO2)2" +mp-1176449,Na(FeO2)2,-7.0335091996,-1.5978916913,0.0425189697,0.0425189697,GGA+U,P2/c,A2BC4_mP28_13_adg_ef_4g:Fe-Na-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_13_2a2dg_2ef_9g:Fe-Na-O, expected Na(FeO3)2 to be Na(FeO2)2" +mp-849436,Na(FeO2)2,-6.9136041379,-1.4779866295,0.1624240315,0.1624240315,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Fe-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_ce_2ab_3e2g:Fe-Na-O, expected Na3(Fe2O7)2 to be Na(FeO2)2" +mp-759691,Na(FeO2)2,-7.0457477725,-1.6101302642,0.0302803969,0.0302803969,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Fe-Na-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_5c_c_13c:Fe-Na-O, expected NaFe5O13 to be Na(FeO2)2" +mp-764034,Na(FeO2)2,-6.9832561707,-1.5476386624,0.0927719987,0.0927719987,GGA+U,Imma,A2BC4_oI28_74_ac_e_hi:Fe-Na-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2a2c_e_3h3i:Fe-Na-O, expected Na(FeO3)4 to be Na(FeO2)2" +mp-759448,Na(FeO2)2,-6.8851844321,-1.4495669238,0.1908437372,0.1908437372,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Na-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Na-O +mp-754915,NaFeO3,-6.314208284,-1.3876857566,0.0549618042,0.0549618042,GGA+U,R-3,ABC3_hR30_148_c_c_f:Fe-Na-O,10.0,ABC3_hR30_148_c_c_f:Fe-Na-O +mp-1186134,NaFeO3,-6.223837712,-1.2973151846,0.1453323762,0.1453323762,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Fe-Na-O,5.0,ABC3_cP5_221_b_a_c:Fe-Na-O +mp-27254,Ba(TeO3)2,-6.2082746317,-1.998750299,0.0004173482,0.0004173482,GGA,Cmcm,AB6C2_oC36_63_c_2ch_ac:Ba-O-Te,18.0,"Invalid WP multiplicities - AB6C2_oC36_63_c_2c2h_ac:Ba-O-Te, expected Ba(TeO5)2 to be Ba(TeO3)2" +mp-28102,Ba3Te4O11,-6.2776020217,-2.2362840096,0.0,-0.0160236893,GGA,P-1,A3B11C4_aP36_2_3i_11i_4i:Ba-O-Te,36.0,A3B11C4_aP36_2_3i_11i_4i:Ba-O-Te +mp-17009,Ba3Te2O9,-6.4292518793,-2.388985093,0.0,-0.0561086439,GGA,P6_3/mmc,A3B9C2_hP28_194_cf_hk_e:Ba-O-Te,28.0,"Invalid WP multiplicities - A3B9C2_hP28_194_cf_h2k_e:Ba-O-Te, expected Ba3Te2O15 to be Ba3Te2O9" +mp-1191752,BaTeO4,-6.2896329921,-2.1481270457,0.1028490025,0.0083358854,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ba-O-Te,24.0,AB4C_mP24_14_e_4e_e:Ba-O-Te +mp-754967,BaTeO4,-6.3924819946,-2.2509760482,0.0,-0.0945131171,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ba-O-Te,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Ba-O-Te, expected BaTeO10 to be BaTeO4" +mp-1228445,Ba3Fe2TeO9,-7.0367903677,-2.3460922654,0.0,-0.0535985693,GGA+U,P6_3mc,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Fe-O-Te,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_186_a4b_ab_5c_b:Ba-Fe-O-Te, expected Ba5Fe2TeO15 to be Ba3Fe2TeO9" +mp-1147669,Ba3Fe2TeO5,-6.8069334827,-2.2093228746,0.0368039319,0.0368039319,GGA+U,P4/mmm,A3B2C5D_tP11_123_ch_g_ai_b:Ba-Fe-O-Te,11.0,A3B2C5D_tP11_123_ch_g_ai_b:Ba-Fe-O-Te +mp-5431,BaTeO3,-6.338290204,-2.3578208106,0.0,-0.0627373165,GGA,P2_1/m,AB3C_mP10_11_e_ef_e:Ba-O-Te,10.0,AB3C_mP10_11_e_ef_e:Ba-O-Te +mp-556021,BaTeO3,-6.3289506543,-2.3484812609,0.0093395497,-0.0533977668,GGA,Pnma,AB3C_oP60_62_3c_3c3d_3c:Ba-O-Te,60.0,"Invalid WP multiplicities - AB3C_oP60_62_10c_9c21d_8c:Ba-O-Te, expected Ba10Te8O51 to be BaTeO3" +mp-1195016,BaTe4O9,-6.0391286689,-1.8239574607,0.0,-0.0046357606,GGA,C2/c,AB9C4_mC112_15_f_9f_4f:Ba-O-Te,56.0,AB9C4_mC112_15_f_9f_4f:Ba-O-Te +mp-1195118,BaTe3O7,-6.0872331695,-1.9076228424,0.0006741397,0.0006741397,GGA,P2_1/c,AB7C3_mP44_14_e_7e_3e:Ba-O-Te,44.0,AB7C3_mP44_14_e_7e_3e:Ba-O-Te +mp-1078191,Ba2TeO,-5.4212240288,-2.4392379076,0.0,-0.0253111513,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:Ba-O-Te,8.0,A2BC_tP8_129_ac_c_c:Ba-O-Te +mp-1209370,Rb2Ti4O9,-8.4545022193,-3.2502865785,0.0,-0.0103711583,GGA,C2/m,A9B2C4_mC60_12_9i_2i_4i:O-Rb-Ti,,A9B2C4_mC60_12_9i_2i_4i:O-Rb-Ti +mp-1219756,Rb2Ti(TeO4)3,-6.3686234239,-1.9993599585,0.000883845,-0.0935027781,GGA,C2,A12B2C3D_mC36_5_6c_c_ac_b:O-Rb-Te-Ti,18.0,"Invalid WP multiplicities - A12B2C3D_mC36_5_12c_c_ac_b:O-Rb-Te-Ti, expected Rb2Ti(TeO8)3 to be Rb2Ti(TeO4)3" +mp-1540553,Rb2Ti(TeO4)3,-6.3695072689,-2.0002438035,0.0,-0.0943866231,GGA,R-3m,A12B2C3D_hR54_166_2h_c_d_a:O-Rb-Te-Ti,18.0,"Invalid WP multiplicities - A12B2C3D_hR54_166_9h_c_d_a:O-Rb-Te-Ti, expected Rb2Ti(TeO18)3 to be Rb2Ti(TeO4)3" +mp-5403,Rb2TiO3,-6.8679238467,-2.7518194641,0.0,-0.0569099841,GGA,Cmce,A3B2C_oC48_64_e2f_2f_f:O-Rb-Ti,24.0,"Invalid WP multiplicities - A3B2C_oC48_64_e3f_2f_f:O-Rb-Ti, expected Rb2TiO4 to be Rb2TiO3" +mp-505639,Rb3Ti3Te11,-4.5943533682,-0.9940920098,0.0,-0.037234069,GGA,P2_1/c,A3B11C3_mP68_14_3e_11e_3e:Rb-Te-Ti,68.0,"Invalid WP multiplicities - A3B11C3_mP68_14_9e_42e_10e:Rb-Te-Ti, expected Rb9(Ti5Te21)2 to be Rb3Ti3Te11" +mp-1101441,Rb4TiO4,-5.8317427817,-2.3201446537,0.0005603425,-0.0397260914,GGA,P-1,A4B4C_aP18_2_4i_4i_i:O-Rb-Ti,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_7i_i:O-Rb-Ti, expected Rb7TiO7 to be Rb4TiO4" +mp-771127,Rb4TiO4,-5.8323031242,-2.3207049962,0.0,-0.0402864339,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:O-Rb-Ti,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_13e_15e_e:O-Rb-Ti, expected Rb15TiO13 to be Rb4TiO4" +mp-770408,Rb6Ti2O7,-6.2631844103,-2.5097837805000003,0.0,-0.0166329972,GGA,P2_1/c,A7B6C2_mP30_14_a3e_3e_e:O-Rb-Ti,30.0,"Invalid WP multiplicities - A7B6C2_mP30_14_2a10e_9e_e:O-Rb-Ti, expected Rb9TiO11 to be Rb6Ti2O7" +mp-753548,Rb6Ti2O7,-6.2317562513,-2.4783556215,0.031428159,0.0147951618,GGA,P-3,A7B6C2_hP30_147_d2g_2g_2d:O-Rb-Ti,30.0,"Invalid WP multiplicities - A7B6C2_hP30_147_2d9g_11g_4d:O-Rb-Ti, expected Rb33Ti4O29 to be Rb6Ti2O7" +mp-540784,Rb2Ti6O13,-8.7443610067,-3.3328860785,0.0,-0.010542451,GGA,C2/m,A13B2C6_mC42_12_a6i_i_3i:O-Rb-Ti,21.0,A13B2C6_mC42_12_a6i_i_3i:O-Rb-Ti +mp-28544,Sm4Cl6O,-5.5318864795,-2.3580452785,0.2060520133,0.2060520133,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Cl-O-Sm,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_4c_b_bc:Cl-O-Sm, expected Sm4Cl12O to be Sm4Cl6O" +mp-556820,Sm3Si2Cl5O6,-7.2174018281,-3.2218262011,0.0,-0.022504305,GGA,C2/m,A5B6C2D3_mC64_12_3ij_gi2j_j_ej:Cl-O-Si-Sm,32.0,"Invalid WP multiplicities - A5B6C2D3_mC64_12_6i3j_2g2i4j_j_2f2j:Cl-O-Si-Sm, expected Sm3Si(ClO)6 to be Sm3Si2Cl5O6" +mp-1208887,Sm2Cl2O,-5.26852686,-1.6523399998,1.1510531717,1.1510531717,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-O-Sm,5.0,A2BC2_tP5_123_g_a_g:Cl-O-Sm +mp-27823,SmClO,-7.3279170917,-3.4899799229,0.0,-0.1616846471,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Sm,6.0,ABC_tP6_129_c_a_c:Cl-O-Sm +mp-768348,Sm(ClO4)3,-5.34256638,-0.9910375894,0.0,-0.1313451684,GGA,R3c,A3B12C_hR96_161_b_4b_a:Cl-O-Sm,32.0,"Invalid WP multiplicities - A3B12C_hR96_161_b_20b_a:Cl-O-Sm, expected Sm(ClO20)3 to be Sm(ClO4)3" +mp-772098,Sm(ClO4)3,-5.3315777381,-0.9800489475,0.0109886419,-0.1203565265,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Sm,32.0,"Invalid WP multiplicities - A3B12C_hP32_176_h_11h6i_c:Cl-O-Sm, expected Sm(ClO23)3 to be Sm(ClO4)3" +mp-1188682,Sm(ClO2)3,-4.6097724585,-0.6153396202,0.7095443645,0.7095443645,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Sm,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Sm +mp-1209705,Sm(ClO)3,-4.6203726554,-1.034049477,0.6723732454,0.6723732454,GGA,Pnma,A3B3C_oP28_62_cd_cd_c:Cl-O-Sm,28.0,A3B3C_oP28_62_cd_cd_c:Cl-O-Sm +mp-23622,Sm3Si2ClO8,-8.3697750957,-3.6248864661,0.0,-0.0186010487,GGA,Pnma,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Si-Sm,56.0,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Si-Sm +mp-1079621,SmClO2,-6.2723872487,-2.1572621944,0.5385636091,0.5385636091,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Sm,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Sm +mp-733415,SmClO2,-6.6199522175,-2.5048271631,0.1909986403,0.1909986403,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Sm,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Sm +mp-9077,Nd2Be2SiO7,-8.2801149608,-3.5245099939,0.0,-0.0158374579,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Nd-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Nd-O-Si +mp-1206768,Rb2NaVCl6,-4.373411532,-2.0275395852,0.0,-0.028038046,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-V +mp-1213417,CsNb3VCl11,-5.530761962,-1.7421915357,0.0397345357,0.0397345357,GGA,Pnma,A11BC3D_oP64_62_5c3d_c_cd_c:Cl-Cs-Nb-V,64.0,A11BC3D_oP64_62_5c3d_c_cd_c:Cl-Cs-Nb-V +mp-541084,Cs3V2Cl9,-4.6985988768,-2.0206810771,0.0,-0.0658414254,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-V,28.0,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-V +mp-22977,CsVCl3,-5.007629048,-1.9026453636,0.0,-0.0166763583,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-V,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-V +mp-1206014,Cs2VCl6,-4.4244954533,-1.9838364784,0.0,-0.0715420936,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-V,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-V +mp-606510,CsTaI6,-3.7615931863,-1.0624209235,0.0,-0.0129092717,GGA,C2/c,AB6C_mC32_15_e_3f_c:Cs-I-Ta,16.0,"Invalid WP multiplicities - AB6C_mC32_15_e_7f_a:Cs-I-Ta, expected CsTaI14 to be CsTaI6" +mp-1112399,Cs2NaTaI6,-3.584814717,-1.2036841402,0.1162641681,0.1162641681,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Ta +mp-1112884,Cs2NdCuI6,-3.382595023,-1.4327593283,0.0490702022,0.0490702022,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Nd,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Nd +mp-1111615,K2NaTmCl6,-4.34408463,-2.4330467729,0.0582928327,0.0582928327,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tm +mp-1211949,K3TmCl6,-4.3838966475,-2.4940714251,0.0,-0.0366685471,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Tm,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Tm +mp-1110876,K3TmCl6,-4.32161803,-2.4317928076,0.0622786175,0.0256100704,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Tm,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Tm +mp-1211484,KTm2Cl7,-4.9567541557,-2.6565715144,0.0,-0.0213204483,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-K-Tm,40.0,A7BC2_mP40_14_7e_e_2e:Cl-K-Tm +mp-1112445,K2TlAgBr6,-3.000442795,-1.3270260926,0.0443341107,0.0443341107,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Tl +mp-972827,SiBiO3,-6.652173252,-1.8309985932,0.7173131768000001,0.7173131768000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-Si,5.0,AB3C_cP5_221_a_c_b:Bi-O-Si +mp-1183403,BeBiO3,-6.126205226,-1.6422116002,0.485461609,0.485461609,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Bi-O,5.0,ABC3_cP5_221_b_a_c:Be-Bi-O +mp-28144,SiBi2O5,-7.023950105,-2.2939826242,0.0122093598,0.0122093598,GGA,Cmc2_1,A2B5C_oC32_36_b_a2b_a:Bi-O-Si,16.0,"Invalid WP multiplicities - A2B5C_oC32_36_b_a3b_a:Bi-O-Si, expected SiBi2O7 to be SiBi2O5" +mp-769310,SiBi2O5,-6.9441865966,-2.2142191158,0.0919728682,0.0919728682,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Bi-O-Si,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Bi-O-Si, expected SiBi5O17 to be SiBi2O5" +mp-1172399,Si2BiO6,-7.5040335367,-2.5738938192000003,0.0971700344,0.0971700344,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Bi-O-Si,18.0,AB6C2_mC36_15_e_3f_f:Bi-O-Si +mp-1041841,Si2BiO6,-7.4360958093,-2.5059560918,0.1651077618,0.1651077618,GGA,Pbca,AB6C2_oP72_61_c_6c_2c:Bi-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Bi-O-Si, expected Si8BiO41 to be Si2BiO6" +mp-23331,Si3(BiO3)4,-7.2650126024,-2.4756349632,0.0,-0.0252052096,GGA,I-43d,A4B12C3_cI76_220_c_e_a:Bi-O-Si,38.0,A4B12C3_cI76_220_c_e_a:Bi-O-Si +mp-753860,SiBi3O7,-6.6888160418,-2.0003063692,0.0886861527,0.0886861527,GGA,P6_3,A3B7C_hP22_173_c_b2c_b:Bi-O-Si,22.0,"Invalid WP multiplicities - A3B7C_hP22_173_c_2b9c_b:Bi-O-Si, expected SiBi3O29 to be SiBi3O7" +mp-1043424,Si4BiO10,-7.7672275732,-2.7666510157,0.1432001322,0.1432001322,GGA,P4/ncc,AB10C4_tP60_130_c_f2g_g:Bi-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Bi-O-Si, expected Si4BiO22 to be Si4BiO10" +mp-23492,Si(Bi3O5)4,-6.3707202564,-1.8117820195,0.0066195699,0.0066195699,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Si,33.0,A12B20C_cI66_197_f_2cf_a:Bi-O-Si +mp-1172356,SiBiO4,-6.9500828193,-2.1079891518,0.264590584,0.264590584,GGA,Ia-3d,AB4C_cI144_230_c_h_d:Bi-O-Si,72.0,AB4C_cI144_230_c_h_d:Bi-O-Si +mp-772198,Be(Bi3O5)4,-6.1499260958,-1.6420758942,0.0828169524,0.0828169524,GGA,I23,AB12C20_cI66_197_a_f_2cf:Be-Bi-O,33.0,"Invalid WP multiplicities - AB12C20_cI66_197_a_f_6c5f:Be-Bi-O, expected Be(BiO7)12 to be Be(Bi3O5)4" +mp-1041202,Be3Si3(BiO6)2,-7.4714990789,-2.7447273049,0.0993082531,0.0993082531,GGA,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Bi-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Bi-O-Si, expected Be4Si3Bi2O17 to be Be3Si3(BiO6)2" +mp-558672,Si3Bi2O9,-7.6098484575,-2.7186248324,0.011709207,0.011709207,GGA,P6_3/m,A2B9C3_hP28_176_f_hi_h:Bi-O-Si,28.0,"Invalid WP multiplicities - A2B9C3_hP28_176_f_4h4i_h:Bi-O-Si, expected Si3(BiO18)2 to be Si3Bi2O9" +mp-850220,Si6BiO14,-7.9860746098,-2.9553108351,0.0568777245,0.0568777245,GGA,Ibam,AB14C6_oI168_72_f_2j6k_2j2k:Bi-O-Si,84.0,"Invalid WP multiplicities - AB14C6_oI168_72_f_8j45k_7j16k:Bi-O-Si, expected Si39BiO98 to be Si6BiO14" +mp-1266421,Si6Bi9O26,-7.1241102883,-2.3502025604,0.0523708724,0.0523708724,GGA,P1,A9B26C6_aP82_1_18a_52a_12a:Bi-O-Si,82.0,A9B26C6_aP82_1_18a_52a_12a:Bi-O-Si +mp-766877,Si6Bi9O26,-7.1097259639,-2.335818236,0.0667551968,0.0667551968,GGA,P3,A9B26C6_hP41_143_2ab2d_2c8d_2d:Bi-O-Si,41.0,"Invalid WP multiplicities - A9B26C6_hP41_143_2ab4d_2c23d_4d:Bi-O-Si, expected Si12Bi15O71 to be Si6Bi9O26" +mp-775315,Si6Bi9O26,-7.1233201648,-2.3494124369,0.053160996,0.053160996,GGA,P-3,A9B26C6_hP82_147_3d2g_2c8g_2g:Bi-O-Si,82.0,"Invalid WP multiplicities - A9B26C6_hP82_147_6d8g_3c46g_9g:Bi-O-Si, expected Si9Bi10O47 to be Si6Bi9O26" +mp-686175,Si(Bi3O5)5,-6.2972543485,-1.7435989153,0.0343810237,0.0343810237,GGA,R3,A15B25C_hR492_146_20b_10a30b_4a:Bi-O-Si,164.0,"Invalid WP multiplicities - A15B25C_hR492_146_60b_10a80b_4a:Bi-O-Si, expected Si2(Bi18O25)5 to be Si(Bi3O5)5" +mp-1211644,LiZn(HCl)3,-3.105161395,-0.743604571,0.3744639213,0.3744639213,GGA,Pnma,A3B3CD_oP32_62_cd_cd_c_c:Cl-H-Li-Zn,32.0,A3B3CD_oP32_62_cd_cd_c_c:Cl-H-Li-Zn +mp-1210995,Li2Zn(HCl2)2,-3.0378823014,-0.8981947377,0.5705159853,0.5705159853,GGA,P2_12_12_1,A4B2C2D_oP36_19_4a_2a_2a_a:Cl-H-Li-Zn,36.0,A4B2C2D_oP36_19_4a_2a_2a_a:Cl-H-Li-Zn +mp-971820,ZnH,-1.9995016775,0.32673315,0.32673315,0.32673315,GGA,P6_3mc,AB_hP4_186_b_b:H-Zn,4.0,AB_hP4_186_b_b:H-Zn +mp-23416,Li2ZnCl4,-3.6573202782,-1.8756437092,0.0126986489,0.0126986489,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:Cl-Li-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_5c3d_ac_c:Cl-Li-Zn, expected Li2ZnCl11 to be Li2ZnCl4" +mp-22961,Li2ZnCl4,-3.6528826157,-1.8712060467,0.0171363114,0.0171363114,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:Cl-Li-Zn,14.0,A4B2C_cF56_227_e_c_b:Cl-Li-Zn +mp-1207466,ZnH6,-3.0590653457,0.0289489229,0.0289489229,0.0289489229,GGA,Pca2_1,A6B_oP28_29_6a_a:H-Zn,28.0,A6B_oP28_29_6a_a:H-Zn +mp-1207479,ZnH6,-2.7672212504,0.3207930182,0.3207930182,0.3207930182,GGA,Pna2_1,A6B_oP28_33_6a_a:H-Zn,28.0,A6B_oP28_33_6a_a:H-Zn +mp-1178824,VCu3PbSe4,-4.7770809933,-0.4351010977,0.2409243161,0.2409243161,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Pb-Se-V +mp-1111672,K2LiInCl6,-3.753068653,-1.9558062079,0.0157735793,0.0157735793,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Li +mp-1113824,Rb3RhF6,-4.773773793,-2.5962954038,0.0,-0.0508078095,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Rh,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Rh +mp-1213284,Hg3RhF6,-3.267321396,-1.292899119,0.293791604,0.293791604,GGA,P-1,A6B3C_aP10_2_3i_bce_a:F-Hg-Rh,10.0,A6B3C_aP10_2_3i_bce_a:F-Hg-Rh +mp-1111016,Rb2HgRhF6,-4.305050941,-2.1952579225,0.0761791965,0.0761791965,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Rh +mp-15639,HgRhF6,-4.1809054775,-1.7887977225,0.0,-0.0590105192,GGA,R-3,A6BC_hR24_148_f_a_b:F-Hg-Rh,8.0,A6BC_hR24_148_f_a_b:F-Hg-Rh +mp-22214,Rb2RhF6,-4.8039922789,-2.4935200767,0.0,-0.1532672637,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-Rb-Rh,9.0,A6B2C_hP9_164_i_d_a:F-Rb-Rh +mp-1185548,CsAuO3,-4.264953696,-0.4630835948,0.4479600653,0.4479600653,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-Cs-O,5.0,ABC3_cP5_221_b_a_c:Au-Cs-O +mp-572441,Cs3AuO2,-3.8590742276,-1.2168298045,0.0,-0.0893212743,GGA,P2_1/c,AB3C2_mP72_14_3e_9e_6e:Au-Cs-O,72.0,"Invalid WP multiplicities - AB3C2_mP72_14_10e_33e_22e:Au-Cs-O, expected Cs33(Au5O11)2 to be Cs3AuO2" +mp-997024,CsAuO2,-4.6544700238,-1.1388045751,0.0,-0.2502583672,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-Cs-O,8.0,ABC2_oC16_63_c_c_f:Au-Cs-O +mp-9986,CsAuO,-4.1046206467,-1.0659629522,0.0,-0.0779465249,GGA,I4/mmm,ABC_tI24_139_h_i_j:Au-Cs-O,12.0,ABC_tI24_139_h_i_j:Au-Cs-O +mp-505212,Cs3AuO,-3.05530406,-0.8739484945,0.0,-0.037603924,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Au-Cs-O,10.0,AB3C_hP10_194_c_h_a:Au-Cs-O +mp-510075,Cs7Au5O2,-3.0308147893,-0.7072002159,0.0,-0.010113006,GGA,Immm,A5B7C2_oI28_71_agh_bfn_e:Au-Cs-O,14.0,"Invalid WP multiplicities - A5B7C2_oI28_71_a2g2h_b2f2n_e:Au-Cs-O, expected Cs13Au9O2 to be Cs7Au5O2" +mp-1235465,Cs7LiAu5O2,-2.9533495033,-0.6573810438000001,0.106447411,0.106447411,GGA,P1,A5B7CD2_aP15_1_5a_7a_a_2a:Au-Cs-Li-O,15.0,A5B7CD2_aP15_1_5a_7a_a_2a:Au-Cs-Li-O +mp-1235810,Cs7LiAu5O2,-2.9126658127,-0.6166973531000001,0.1471311017,0.1471311017,GGA,Cm,A5B7CD2_mC30_8_5a_a3b_a_b:Au-Cs-Li-O,15.0,"Invalid WP multiplicities - A5B7CD2_mC30_8_5a_a5b_a_b:Au-Cs-Li-O, expected Cs11LiAu5O2 to be Cs7LiAu5O2" +mp-1235902,Cs7LiAu5O2,-2.9111190293,-0.6151505698,0.148677885,0.148677885,GGA,Cm,A5B7CD2_mC30_8_5a_a3b_a_b:Au-Cs-Li-O,15.0,"Invalid WP multiplicities - A5B7CD2_mC30_8_5a_a5b_a_b:Au-Cs-Li-O, expected Cs11LiAu5O2 to be Cs7LiAu5O2" +mp-1236405,Cs7LiAu5O2,-2.914029426,-0.6180609664000001,0.1457674883,0.1457674883,GGA,Cm,A5B7CD2_mC30_8_5a_a3b_a_b:Au-Cs-Li-O,15.0,"Invalid WP multiplicities - A5B7CD2_oI30_44_2a3b_a5c_a_c:Au-Cs-Li-O, expected Cs11LiAu5O2 to be Cs7LiAu5O2" +mp-1235134,Cs7LiAu5O2,-2.8808590087,-0.5848905491,0.1789379057,0.1789379057,GGA,Imm2,A5B7CD2_oI30_44_b2d_ace_a_c:Au-Cs-Li-O,15.0,"Invalid WP multiplicities - A5B7CD2_oI30_44_b4d_a2c2e_a_c:Au-Cs-Li-O, expected Cs13LiAu9O2 to be Cs7LiAu5O2" +mp-13166,YbAgO2,-5.475142935,-1.9087575085,0.1292983275,0.1292983275,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-O-Yb,,AB2C_hR12_166_a_c_b:Ag-O-Yb +mp-1207508,YbTa5Ag2O15,-9.02626188,-2.9091340928,0.0268156018,0.0268156018,GGA,P4/mbm,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Yb,,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Yb +mp-1208802,Sr3Ga2Cl2O5,-6.1126739571,-2.8164081836,0.0,-0.0082548056,GGA,P2_12_12_1,A2B2C5D3_oP48_19_2a_2a_5a_3a:Cl-Ga-O-Sr,48.0,"Invalid WP multiplicities - A2B2C5D3_oP48_19_3a_4a_7a_5a:Cl-Ga-O-Sr, expected Sr5Ga4Cl3O7 to be Sr3Ga2Cl2O5" +mp-561395,Na2FeNiF7,-5.4656429623000005,-2.7133192123,0.0,-0.0008245724,GGA+U,Imm2,A7BC2D_oI44_44_ab2c2e_c_cd_d:F-Fe-Na-Ni,22.0,"Invalid WP multiplicities - A7BC2D_oI44_44_ab4c6e_c_2c2d_d:F-Fe-Na-Ni, expected Na4FeNiF17 to be Na2FeNiF7" +mp-20884,Na2FeNiF7,-5.4654360714,-2.7131123214,0.0002068909,-0.0006176815,GGA+U,Imma,A7BC2D_oI44_74_ehj_a_bc_d:F-Fe-Na-Ni,22.0,A7BC2D_oI44_74_ehj_a_bc_d:F-Fe-Na-Ni +mp-1096097,Sr2LiIr,-2.0235352925,1.5080506958000002,1.6410222442,1.6410222442,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Li-Sr,4.0,ABC2_oI8_71_a_b_e:Ir-Li-Sr +mp-6071,Sr3LiIrO6,-6.6485081677,-2.5125109246,0.0,-0.1340605215,GGA,R-3c,ABC6D3_hR66_167_b_a_f_e:Ir-Li-O-Sr,22.0,ABC6D3_hR66_167_b_a_f_e:Ir-Li-O-Sr +mp-10584,Ba2LiOsO6,-7.108212944,-2.4427756996,0.0,-0.1015986927,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Os +mp-542207,Ba3LiOs2O9,-7.3431706873,-2.3671186241,0.0,-0.0318529943,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Li-O-Os,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Li-O-Os +mp-1096301,MgAgPd2,-2.040559045,1.6575908733,2.1126729152,2.1126729152,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Mg-Pd,4.0,ABC2_oI8_71_a_b_e:Ag-Mg-Pd +mp-5495,Ag2PdO2,-4.623651614,-0.4759773662,0.0535968097,0.0535968097,GGA,Immm,A2B2C_oI10_71_e_f_a:Ag-O-Pd,5.0,A2B2C_oI10_71_e_f_a:Ag-O-Pd +mp-997038,AgPdO2,-5.1384215287,-0.6619677198,0.0,-0.04385518,GGA,P2/m,AB2C_mP8_10_ac_mn_dh:Ag-O-Pd,8.0,"Invalid WP multiplicities - AB2C_mP8_10_ac_m2n_dh:Ag-O-Pd, expected AgPdO3 to be AgPdO2" +mp-997039,AgPdO2,-5.12285592,-0.646402111,0.0155656087,-0.0282895712,GGA,Pmmm,AB2C_oP4_47_c_i_f:Ag-O-Pd,4.0,AB2C_oP4_47_c_i_f:Ag-O-Pd +mp-1093788,Mg2AgPd,-1.714419115,1.0888303633,1.58710447,1.58510667,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Mg-Pd,4.0,AB2C_oI8_71_a_e_b:Ag-Mg-Pd +mp-1222144,Mg2AgPd,-3.301523585,-0.4982741067,0.0,-0.0019978,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Ag-Mg-Pd,4.0,AB2C_tP4_123_a_h_b:Ag-Mg-Pd +mp-1185749,Mg2AgPd,-3.293014925,-0.4897654467,0.00850866,0.00651086,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Mg-Pd,4.0,AB2C_cF16_225_a_c_b:Ag-Mg-Pd +mp-2227393,MgAgPdO2,-4.934930512,-1.0337114548,0.5040896857,0.5040896857,GGA,Pmm2,ABC2D_oP5_25_a_b_2c_d:Ag-Mg-O-Pd,5.0,ABC2D_oP5_25_a_b_2c_d:Ag-Mg-O-Pd +mp-2210650,MgAgPdO2,-4.795187878,-0.8939688208000001,0.6438323197,0.6438323197,GGA,Pmmm,ABC2D_oP5_47_b_a_j_g:Ag-Mg-O-Pd,5.0,ABC2D_oP5_47_b_a_j_g:Ag-Mg-O-Pd +mp-2225893,MgAgPdO2,-4.90688839,-1.0056693328,0.5321318077,0.5321318077,GGA,Pmmm,ABC2D_oP5_47_g_a_j_b:Ag-Mg-O-Pd,5.0,ABC2D_oP5_47_g_a_j_b:Ag-Mg-O-Pd +mp-776166,AgPdO3,-4.747613204,-0.1771124146,0.438217555,0.438217555,GGA,Cmcm,AB3C_oC40_63_2c_f2g_d:Ag-O-Pd,20.0,"Invalid WP multiplicities - AB3C_oC40_63_3c_f4g_d:Ag-O-Pd, expected Ag3(PdO5)2 to be AgPdO3" +mp-1046998,BaCa(AgO2)4,-4.8408459979,-0.9245382462,0.3416275568,0.3416275568,GGA,P-31m,A4BCD8_hP14_162_h_a_b_ck:Ag-Ba-Ca-O,14.0,A4BCD8_hP14_162_h_a_b_ck:Ag-Ba-Ca-O +mp-631554,Na2TiAu,-2.88689625,0.5667099009000001,0.8260410293,0.8260410293,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Au-Na-Ti,4.0,AB2C_cF16_225_a_c_b:Au-Na-Ti +mp-1111293,Na2TiAuF6,-5.15166746,-2.6233376191,0.525827287,0.525827287,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ti +mp-1219353,Si60Te13P32Se3,-5.1879794152,-0.0945028128,0.0604519625,0.0604519625,GGA,Pmmm,A32B3C60D13_oP108_47_4A_al_A2jrtuv2w2x3y2z_b2knpw:P-Se-Si-Te,108.0,"Invalid WP multiplicities - A32B3C60D13_oP108_47_32A_al_4A4j2r2t4u4v8w8x10y8z_b4k2n2p2w:P-Se-Si-Te, expected Si216Te25P256Se3 to be Si60Te13P32Se3" +mp-38564,Ce(Mo3S4)2,-8.1288746927,-1.188968776,0.0,-0.0198801982,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ce-Mo-S,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_2c3f:Ce-Mo-S, expected Ce(Mo3S11)2 to be Ce(Mo3S4)2" +mp-1223576,LaCe(Mo3S4)4,-8.1085152623,-1.201845414,7.83137e-05,7.83137e-05,GGA,P-1,ABC12D16_aP30_2_a_b_6i_8i:Ce-La-Mo-S,30.0,"Invalid WP multiplicities - ABC12D16_aP30_2_a_b_12i_15i:Ce-La-Mo-S, expected LaCe(Mo4S5)6 to be LaCe(Mo3S4)4" +mp-1223418,La2CeS4,-7.0200534114,-2.3984958639,0.0395575286,0.0395575286,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ce-La-S,14.0,AB2C4_tI28_122_a_d_e:Ce-La-S +mp-1377924,TaZn2AgO6,-6.555708254,-1.8667129419,0.1196630708,0.1196630708,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Ag-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Ag-O-Ta-Zn, expected TaZn3AgO18 to be TaZn2AgO6" +mp-1226383,Cs12Sn2As6O,-2.9802085719,-0.5199527949,0.0,-0.0416409484,GGA,P-3m1,A6B12CD2_hP21_164_i_2i_a_d:As-Cs-O-Sn,21.0,A6B12CD2_hP21_164_i_2i_a_d:As-Cs-O-Sn +mp-29381,Na2Te2As,-3.4462620605,-0.7281059048,0.0094908905,0.0094908905,GGA,P2_12_12_1,AB2C2_oP40_19_2a_4a_4a:As-Na-Te,40.0,AB2C2_oP40_19_2a_4a_4a:As-Na-Te +mp-1173176,Te(AsO2)2,-4.8642109395,-0.2573112898,1.2273409819,1.2273409819,GGA,P1,A2B4C_aP42_1_12a_24a_6a:As-O-Te,42.0,A2B4C_aP42_1_12a_24a_6a:As-O-Te +mp-1217487,Te(AsO2)2,-5.7487792714,-1.1418796217,0.34277265,0.34277265,GGA,P1,A2B4C_aP7_1_2a_4a_a:As-O-Te,7.0,A2B4C_aP7_1_2a_4a_a:As-O-Te +mp-1196688,Te3As2O11,-6.1328525934,-1.5602444488,0.0,-0.0358554843,GGA,P-1,A2B11C3_aP32_2_2i_11i_3i:As-O-Te,32.0,A2B11C3_aP32_2_2i_11i_3i:As-O-Te +mp-1386542,Te3As2O11,-3.8038439988,0.7687641459,2.3290085947,2.2931531104,GGA,P-1,A2B11C3_aP32_2_2i_11i_3i:As-O-Te,32.0,A2B11C3_aP32_2_2i_11i_3i:As-O-Te +mp-1210785,Na3Te(AsO7)2,-5.300852076,-1.0167140489,0.39272229,0.39272229,GGA,C2,A2B3C14D_mC80_5_2c_ab2c_14c_ab:As-Na-O-Te,40.0,"Invalid WP multiplicities - A2B3C14D_mC80_5_3c_ab4c_27c_ab:As-Na-O-Te, expected Na5Te(AsO9)3 to be Na3Te(AsO7)2" +mp-1180331,Mn3V2Si3,-8.0763088944,-0.3350823811,0.1529393056,0.1529393056,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Mn-Si-V,16.0,A3B3C2_hP16_193_g_g_d:Mn-Si-V +mp-1221935,Mn(VSi3)2,-7.0379912322,-0.3844650531,0.0251385548,0.0251385548,GGA,C222,AB6C2_oC18_21_a_el_k:Mn-Si-V,9.0,"Invalid WP multiplicities - AB6C2_oC18_21_a_2e2l_k:Mn-Si-V, expected Mn(VSi6)2 to be Mn(VSi3)2" +mp-1221599,MnV(Co2Si)2,-7.6226755875,-0.4314470122,0.0111859711,0.0111859711,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Co-Mn-Si-V,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_3c_a_c_b:Co-Mn-Si-V, expected MnV(Co3Si)2 to be MnV(Co2Si)2" +mp-865026,Mn2VSi,-8.704224335,-0.495910664,0.0,-0.1148175935,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Si-V,4.0,A2BC_cF16_225_c_a_b:Mn-Si-V +mp-1221900,Mn3V17Si12,-8.2574360819,-0.5381777873,0.0014003198,0.0014003198,GGA,Amm2,A3B12C17_oC64_38_a2b_2cdef_a4f:Mn-Si-V,32.0,"Invalid WP multiplicities - A3B12C17_oC64_38_a2b_4c2d2ef_a16f:Mn-Si-V, expected Mn3(V13Si4)5 to be Mn3V17Si12" +mp-1247087,Mg2Ni3MoS8,-5.4032217657,-0.7976346811,0.2686739371,0.2686739371,GGA,R-3m,A2BC3D8_hR42_166_c_a_d_ch:Mg-Mo-Ni-S,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_166_c_a_d_2c3h:Mg-Mo-Ni-S, expected Mg2Ni3MoS22 to be Mg2Ni3MoS8" +mp-1028358,Mg14NiMo,-2.3191531925,0.1202035256,0.1686899656,0.1686899656,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Ni,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Ni, expected Mg18NiMo to be Mg14NiMo" +mp-1028379,Mg14NiMo,-2.3203517038,0.1190050144,0.1674914543,0.1674914543,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Ni,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Ni, expected Mg26NiMo to be Mg14NiMo" +mp-1021737,Mg6NiMo,-3.0713770488,0.2070563375,0.2826707077,0.2826707077,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Ni, expected Mg12NiMo to be Mg6NiMo" +mp-1021897,Mg6NiMo,-3.0444384081,0.2339949781,0.3096093484,0.3096093484,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Ni, expected Mg12NiMo to be Mg6NiMo" +mp-1246841,Mg2NiMo3S8,-6.1740755321,-0.8448436718000001,0.4068858007,0.4068858007,GGA,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Mg-Mo-Ni-S,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c2h:Mg-Mo-Ni-S, expected Mg2NiMo3S16 to be Mg2NiMo3S8" +mp-1246946,MgNiMoS4,-5.8129341336,-0.8455246611,0.3273916267,0.3273916267,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Mg-Mo-Ni-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_3h3i:Mg-Mo-Ni-S, expected MgNiMoS12 to be MgNiMoS4" +mp-10418,RbSbO2,-5.61573791,-1.8650097262,0.0,-0.0431205668,GGA,C2/c,A2BC_mC16_15_f_e_e:O-Rb-Sb,8.0,A2BC_mC16_15_f_e_e:O-Rb-Sb +mp-1219606,RbSbMoO6,-7.1113035583,-2.0407127039,0.0,-0.0111051583,GGA+U,Ima2,AB6CD_oI36_46_b_2b2c_b_a:Mo-O-Rb-Sb,18.0,"Invalid WP multiplicities - AB6CD_oI36_46_b_4b6c_b_a:Mo-O-Rb-Sb, expected RbSbMoO16 to be RbSbMoO6" +mp-1102981,Rb8SbO3,-3.02963868,-0.7951936839,0.2437349663,0.2437349663,GGA,Pm-3m,A3B8C_cP12_221_c_g_a:O-Rb-Sb,12.0,A3B8C_cP12_221_c_g_a:O-Rb-Sb +mp-1173361,Rb4Sb2O5,-5.0406317118,-1.6848515003,0.1434897527,0.1267105639,GGA,Amm2,A5B4C2_oC22_38_a2c_2a2b_ab:O-Rb-Sb,11.0,"Invalid WP multiplicities - A5B4C2_oC22_38_a4c_2a2b_ab:O-Rb-Sb, expected Rb4Sb2O9 to be Rb4Sb2O5" +mp-860956,Rb4Sb2O5,-5.1841214645,-1.8283412531,0.0,-0.0167791889,GGA,Pnma,A5B4C2_oP44_62_c2d_4c_2c:O-Rb-Sb,44.0,"Invalid WP multiplicities - A5B4C2_oP44_62_4c9d_16c_5c:O-Rb-Sb, expected Rb16Sb5O22 to be Rb4Sb2O5" +mp-560587,Rb2Sb8O13,-6.1300244735,-1.8126318078,0.0,-0.0209974172,GGA,P2_1/m,A13B2C8_mP92_11_a3e11f_4e_8f:O-Rb-Sb,92.0,"Invalid WP multiplicities - A13B2C8_mP92_11_2a6e41f_7e_28f:O-Rb-Sb, expected Rb7(Sb28O45)2 to be Rb2Sb8O13" +mp-754047,Rb3SbO3,-4.88561917,-1.7555235141,0.0254970289,-0.076057,GGA,C2/m,A3B3C_mC28_12_ij_ghi_i:O-Rb-Sb,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_2ij_gh2i_i:O-Rb-Sb, expected Rb4SbO4 to be Rb3SbO3" +mp-757084,Rb3SbO3,-4.8560927986,-1.7259971427,0.0550234004,-0.0465306286,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:O-Rb-Sb,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:O-Rb-Sb, expected Rb9SbO9 to be Rb3SbO3" +mp-768232,Rb3SbO3,-4.9111161989,-1.781020543,0.0,-0.1015540289,GGA,P2_13,A3B3C_cP28_198_b_3a_a:O-Rb-Sb,28.0,"Invalid WP multiplicities - A3B3C_cP28_198_b_9a_a:O-Rb-Sb, expected Rb9SbO3 to be Rb3SbO3" +mp-556234,Rb3Sb5O14,-6.1938425111,-1.9738311305,0.0,-0.0127134293,GGA,Pbam,A14B3C5_oP88_55_e2g3h4i_2gh_g2hi:O-Rb-Sb,88.0,"Invalid WP multiplicities - A14B3C5_oP88_55_3e11g8h27i_2g7h_7g2h5i:O-Rb-Sb, expected Rb9(SbO4)19 to be Rb3Sb5O14" +mp-558023,Rb2Sb4O11,-6.2707602582,-1.9830750271,0.0,-0.0452578039,GGA,C2/m,A11B2C4_mC68_12_g4i3j_2i_2ij:O-Rb-Sb,34.0,"Invalid WP multiplicities - A11B2C4_mC68_12_2g8i12j_4i_4i2j:O-Rb-Sb, expected Rb2Sb4O17 to be Rb2Sb4O11" +mp-779000,Rb4SbO4,-4.7596564131,-1.6665572603,0.0,-0.007179125,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:O-Rb-Sb,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_13e_15e_e:O-Rb-Sb, expected Rb15SbO13 to be Rb4SbO4" +mp-975206,RbSbO3,-5.789894704,-1.7999744148,0.0966591216,0.0966591216,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Sb,5.0,A3BC_cP5_221_c_a_b:O-Rb-Sb +mp-570948,LiCaGaN2,-5.564259324,-0.8411376002000001,0.0,-0.0425625436,GGA,P2_1/c,ABCD2_mP20_14_e_e_e_2e:Ca-Ga-Li-N,20.0,"Invalid WP multiplicities - ABCD2_mP20_14_e_e_e_5e:Ca-Ga-Li-N, expected LiCaGaN5 to be LiCaGaN2" +mp-1246748,Ca3Ga3N5,-5.9851376973,-0.822995667,0.0297596209,0.0297596209,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Ga-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Ga-N +mp-28489,Ca5(GaN2)2,-5.3965024864,-0.9028505641,0.0,-0.0130271097,GGA,Cmce,A5B2C4_oC44_64_a2f_f_2f:Ca-Ga-N,22.0,"Invalid WP multiplicities - A5B2C4_oC44_64_2a4f_f_6f:Ca-Ga-N, expected Ca5GaN6 to be Ca5(GaN2)2" +mp-7263,CaGaN,-5.3001281667,-0.8433978908,0.0,-0.0414203171,GGA,P4/nmm,ABC_tP6_129_c_c_c:Ca-Ga-N,6.0,ABC_tP6_129_c_c_c:Ca-Ga-N +mp-17875,Ca6GaN5,-5.6764612521,-0.9477804248,0.0,-0.008639279,GGA,P6_3/mcm,A6BC5_hP24_193_k_a_dg:Ca-Ga-N,24.0,"Invalid WP multiplicities - A6BC5_hP24_193_k_a_d2g:Ca-Ga-N, expected Ca6GaN8 to be Ca6GaN5" +mp-1246270,Ca(GaN)2,-5.460839508,-0.513883153,0.254882329,0.254882329,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ca-Ga-N,20.0,AB2C2_mP20_14_e_2e_2e:Ca-Ga-N +mp-1029943,Ca3GaN3,-5.8081574029,-0.9432459118,0.0,-0.0175297438,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-Ga-N,14.0,A3BC3_hP14_176_h_c_h:Ca-Ga-N +mp-571162,Ca3(GaN2)2,-5.942849535,-0.8962971589000001,0.0,-0.0167021456,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Ga-N,18.0,"Invalid WP multiplicities - A3B2C4_mC36_15_2e3f_f_6f:Ca-Ga-N, expected Ca4GaN6 to be Ca3(GaN2)2" +mp-3887,Li3GaN2,-4.8899676485,-0.6519919031,0.0,-0.1285246027,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Ga-Li-N,48.0,"Invalid WP multiplicities - AB3C2_cI96_206_c_e_2a2d:Ga-Li-N, expected Li3GaN4 to be Li3GaN2" +mp-1208123,Tm7Ru2C11,-7.8711234867,-0.3013748137,0.0144290827,0.0144290827,GGA,Cmcm,A11B2C7_oC80_63_3c4f_ac_c3f:C-Ru-Tm,40.0,A11B2C7_oC80_63_3c4f_ac_c3f:C-Ru-Tm +mp-1206773,TmRu3C,-8.56665041,-0.2611087028,0.0,-0.0329712215,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Ru-Tm,5.0,AB3C_cP5_221_b_c_a:C-Ru-Tm +mp-20308,TmSiRu,-7.23265356,-0.8408015622,0.0,-0.0606419236,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Si-Tm,12.0,ABC_oP12_62_c_c_c:Ru-Si-Tm +mp-1205703,TmSiRu2C,-8.128915512,-0.5931907068,0.0,-0.0376114493,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Tm,10.0,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Tm +mp-568371,Tm(SiRu)2,-7.654711788,-0.8796564753,0.0,-0.1297339095,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Tm,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-Tm +mp-1079647,BaAgSeF,-4.8059828,-2.2662524529,0.0,-0.04962224,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-Se,8.0,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-Se +mp-630851,Cs3NaPb4,-2.6002988544,-0.2428837682,0.0,-0.0922044597,GGA,Cmcm,A3BC4_oC32_63_cf_a_fg:Cs-Na-Pb,16.0,"Invalid WP multiplicities - A3BC4_oC32_63_cf_a_3f3g:Cs-Na-Pb, expected Cs3NaPb12 to be Cs3NaPb4" +mp-989556,Cs2NaPbF6,-4.605035153,-2.7755500617,0.0,-0.0729683382,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Pb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Pb +mp-1111804,Na2HgAsI6,-2.373572718,-0.7287679723,0.1838238086,0.1838238086,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-Na,10.0,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-Na +mp-1114035,KRb2LuCl6,-4.343371216,-2.4750074588,0.0103925053,0.0103925053,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-K-Lu-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-K-Lu-Rb +mp-1111209,K2RbLuCl6,-4.289680692,-2.4083304473,0.0503702496,0.0503702496,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Lu-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Lu-Rb +mp-1111551,Na2TaAgF6,-5.372829109,-2.4924033065,0.4835973325,0.4835973325,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ta +mp-1113860,Rb2NbTlF6,-5.348655316,-2.7592663023,0.1540292857,0.1540292857,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Nb-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Nb-Rb-Tl +mp-1208488,Ta4Te16PtI8,-4.5275365869,-0.541948003,0.1088317166,0.1088317166,GGA,P-1,A8BC4D16_aP29_2_4i_a_2i_8i:I-Pt-Ta-Te,29.0,A8BC4D16_aP29_2_4i_a_2i_8i:I-Pt-Ta-Te +mp-14815,TaTe5Pt,-5.4756305486,-0.6691390605,0.0,-0.025452032,GGA,Cmcm,ABC5_oC28_63_a_c_c2f:Pt-Ta-Te,14.0,"Invalid WP multiplicities - ABC5_oC28_63_a_c_c3f:Pt-Ta-Te, expected TaTe7Pt to be TaTe5Pt" +mp-29117,Ta3TeI7,-5.2183079141,-0.7610167111,0.0062155396,0.0062155396,GGA,P6_3mc,A7B3C_hP22_186_b2c_c_a:I-Ta-Te,22.0,A7B3C_hP22_186_b2c_c_a:I-Ta-Te +mp-28470,Ta7(Te12I5)2,-4.8799843666000005,-0.6561441629,0.0018763562,0.0018763562,GGA,P-1,A10B7C24_aP41_2_5i_a3i_12i:I-Ta-Te,41.0,"Invalid WP multiplicities - A10B7C24_aP41_2_5i_a3i_13i:I-Ta-Te, expected Ta7(Te13I5)2 to be Ta7(Te12I5)2" +mp-28691,TaTe4I,-4.9537525433,-0.6363579511,0.0,-0.036916658,GGA,P-1,ABC4_aP12_2_i_i_4i:I-Ta-Te,12.0,"Invalid WP multiplicities - ABC4_aP12_2_i_i_6i:I-Ta-Te, expected TaTe6I to be TaTe4I" +mp-14827,Li7NbN4,-5.6073733858,-0.8732279853,0.0,-0.2103487038,GGA,Pa-3,A7B4C_cP96_205_c2d_cd_c:Li-N-Nb,96.0,"Invalid WP multiplicities - A7B4C_cP96_205_c5d_cd_c:Li-N-Nb, expected Li16NbN4 to be Li7NbN4" +mp-17024,Ba2NbN3,-7.6500530483,-1.1585964325,0.0,-0.1173444529,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ba-N-Nb,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2f_3e2f_f:Ba-N-Nb, expected Ba4Nb2N7 to be Ba2NbN3" +mp-647275,Ba39Li80N9,-2.4318658816,-0.0679416135,0.0609136701,0.0609136701,GGA,I-42m,A39B80C9_tI256_121_aegh3i2j_8i6j_bdef:Ba-Li-N,128.0,"Invalid WP multiplicities - A39B80C9_tI256_121_a2e3g4h12i14j_31i44j_b2d2e3f:Ba-Li-N, expected Ba193Li476N21 to be Ba39Li80N9" +mp-1246022,Li3NbN2,-6.0815748352,-0.6647309202,0.2260124646,0.2260124646,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Nb,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Nb +mp-605860,Ba2LiN,-3.8854457191,-0.3646038011,0.0548675668,0.0548675668,GGA,P4_2/nmc,A2BC_tP32_137_2g_g_g:Ba-Li-N,32.0,"Invalid WP multiplicities - A2BC_tP32_137_10g_g_g:Ba-Li-N, expected Ba10LiN to be Ba2LiN" +mp-30001,Ba16Nb5N19,-7.0087253902,-1.0186371949,0.0,-0.0069524971,GGA,P-1,A16B19C5_aP80_2_16i_19i_5i:Ba-N-Nb,80.0,A16B19C5_aP80_2_16i_19i_5i:Ba-N-Nb +mp-541765,Ba9(NbN6)2,-6.8571149541,-0.8783617524,0.0514859564,0.0514859564,GGA,P-1,A9B12C2_aP46_2_9i_12i_2i:Ba-N-Nb,46.0,A9B12C2_aP46_2_9i_12i_2i:Ba-N-Nb +mp-1247100,BaLiN,-4.5365479783,-0.4817504011,0.0384626581,0.0384626581,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Li-N,12.0,ABC_oP12_62_c_c_c:Ba-Li-N +mp-1029502,Ba(NbN2)2,-9.0298034675,-1.1058656504,0.0,-0.014466054,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Nb,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Nb +mp-1029903,LiNbN2,-8.2458572512,-1.0750528121,0.0,-0.1127333337,GGA,Pnma,AB2C_oP16_62_c_2c_c:Li-N-Nb,16.0,AB2C_oP16_62_c_2c_c:Li-N-Nb +mp-1246866,Ba3Nb3N5,-7.9901926482,-0.9226185968,0.1794010313,0.1794010313,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Nb,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Nb +mp-567658,Ba2Li3NbN4,-6.2266866595,-0.9254863375,0.005577901,0.005577901,GGA,C2/c,A2B3C4D_mC40_15_f_ef_2f_e:Ba-Li-N-Nb,20.0,"Invalid WP multiplicities - A2B3C4D_mC40_15_f_2e3f_5f_e:Ba-Li-N-Nb, expected Ba2Li8NbN10 to be Ba2Li3NbN4" +mp-1245926,Ba3NbN3,-6.6954673921,-0.8572224443,0.1358602121,0.1358602121,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Nb,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Nb +mp-1246053,Ba3(NbN2)2,-7.5149319161,-0.9254302939,0.1342249563,0.1342249563,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Nb,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Nb +mp-1246466,Ba3(NbN2)2,-7.4810702686,-0.8915686464,0.1680866038,0.1680866038,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Nb,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Nb +mp-13288,Ba3LiN,-3.5080692300000003,-0.3076007077,0.0279763867,0.0279763867,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ba-Li-N,10.0,A3BC_hP10_194_h_c_a:Ba-Li-N +mp-1101069,CrPSe3,-5.655635716,-0.5448188341,0.041522399,0.041522399,GGA,C2/m,ABC3_mC20_12_g_i_ij:Cr-P-Se,10.0,ABC3_mC20_12_g_i_ij:Cr-P-Se +mp-1226281,CrAg(PSe3)2,-4.95063641,-0.5218686747,0.0,-0.0561508392,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Ag-Cr-P-Se,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Ag-Cr-P-Se, expected CrAg(PSe4)2 to be CrAg(PSe3)2" +mp-1209826,Rb3BrF12,-2.9143047337,-1.1997810989,0.5708623409,0.5708623409,GGA,C2/m,AB12C3_mC32_12_a_3j_ce:Br-F-Rb,16.0,"Invalid WP multiplicities - AB12C3_mC32_12_c_10j_be:Br-F-Rb, expected Rb3BrF40 to be Rb3BrF12" +mp-989573,Rb2BrCl6F,-2.841605019,-1.1899254787,0.0,-0.0665948785,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Br-Cl-F-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Br-Cl-F-Rb +mp-1219543,Sb3RhPb4O13,-6.42631744,-1.7163720535,0.0,-0.0081956864,GGA,R3m,A13B4CD3_hR63_160_a4b_ab_a_b:O-Pb-Rh-Sb,21.0,"Invalid WP multiplicities - A13B4CD3_hR63_160_a10b_ab_a_b:O-Pb-Rh-Sb, expected Sb3RhPb4O31 to be Sb3RhPb4O13" +mp-555277,Rh7(PbO5)3,-6.7426887785,-1.2671516998,0.0,-0.0361625634,GGA,P6_3/mcm,A15B3C7_hP100_193_j2kl_2g_bfhi:O-Pb-Rh,100.0,"Invalid WP multiplicities - A15B3C7_hP100_193_10j20k14l_7g_2b5f6h7i:O-Pb-Rh, expected Rh83(Pb7O116)3 to be Rh7(PbO5)3" +mp-1400400,ZnSbF6,-4.6823989512,-2.5751966194,0.0636381445,0.0636381445,GGA,R-3,A6BC_hR24_148_f_a_b:F-Sb-Zn,8.0,A6BC_hR24_148_f_a_b:F-Sb-Zn +mp-1412196,ZnSbF5,-4.7191861793,-2.5840233668,0.0673239493,0.0673239493,GGA,Cc,A5BC_mC28_9_5a_a_a:F-Sb-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_9_8a_a_a:F-Sb-Zn, expected ZnSbF8 to be ZnSbF5" +mp-1346333,ZnSbF5,-4.7246690011,-2.5895061886,0.0618411275,0.0618411275,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Sb-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Sb-Zn +mp-561492,ZnSb2(XeF4)6,-3.3342362609,-1.6490760691,0.0,-0.0167945539,GGA,R-3,A24B2C6D_hR99_148_4f_c_f_a:F-Sb-Xe-Zn,33.0,"Invalid WP multiplicities - A24B2C6D_hR99_148_18f_c_f_a:F-Sb-Xe-Zn, expected ZnSb2(XeF18)6 to be ZnSb2(XeF4)6" +mp-1196112,ZnSb3XeF23,-4.2339666499,-2.1751474445,0.0,-0.0269924032,GGA,P2_1/c,A23B3CD_mP112_14_23e_3e_e_ad:F-Sb-Xe-Zn,112.0,A23B3CD_mP112_14_23e_3e_e_ad:F-Sb-Xe-Zn +mp-23333,Hg3Cl4O,-2.5778763309,-0.9213917752,0.0009795701,0.0009795701,GGA,P2_13,A4B3C_cP32_198_ab_b_a:Cl-Hg-O,32.0,"Invalid WP multiplicities - A4B3C_cP32_198_a2b_b_a:Cl-Hg-O, expected Hg3Cl7O to be Hg3Cl4O" +mp-636805,Hg2ClO,-2.5647910475,-0.7141445222,0.0303511994,0.0303511994,GGA,P-1,AB2C_aP16_2_2i_bd3i_2i:Cl-Hg-O,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_bd5i_2i:Cl-Hg-O, expected Hg6Cl3O2 to be Hg2ClO" +mp-23395,Hg2ClO,-2.5811279706,-0.7304814453,0.0140142763,0.0140142763,GGA,C2/c,AB2C_mC32_15_f_cef_f:Cl-Hg-O,16.0,AB2C_mC32_15_f_aef_f:Cl-Hg-O +mp-1181119,Hg2ClO,-2.5695817719000003,-0.7189352466000001,0.025560475,0.025560475,GGA,C2/c,AB2C_mC32_15_f_cef_f:Cl-Hg-O,16.0,AB2C_mC32_15_f_aef_f:Cl-Hg-O +mp-1212198,Hg(ClO7)2,-4.0233038,0.2857782966,0.5216354544,0.5216354544,GGA,P-3m1,A2BC14_hP17_164_d_a_d2i:Cl-Hg-O,17.0,A2BC14_hP17_164_d_a_d2i:Cl-Hg-O +mp-541193,Hg7Cl2O3,-2.3363529677,-0.614444467,0.0,-0.0077106976,GGA,Pbcm,A2B7C3_oP48_57_cd_a2d2e_de:Cl-Hg-O,48.0,A2B7C3_oP48_57_cd_a2d2e_de:Cl-Hg-O +mp-554351,SrHg2(ClO)2,-3.9156018746,-1.6459868852,0.0,-0.0341951861,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Cl-Hg-O-Sr,28.0,"Invalid WP multiplicities - A2B2C2D_mP28_14_4e_4e_8e_e:Cl-Hg-O-Sr, expected SrHg4(ClO2)4 to be SrHg2(ClO)2" +mp-23358,Hg5(ClO2)2,-3.0282212036,-0.7552912045,0.0,-0.0105686005,GGA,Ibam,A2B5C4_oI44_72_j_afj_k:Cl-Hg-O,22.0,A2B5C4_oI44_72_j_afj_k:Cl-Hg-O +mp-1104591,Hg5(ClO)4,-2.8285971946,-0.6209584785000001,0.1609648704,0.1609648704,GGA,P-1,A4B5C4_aP13_2_2i_a2i_2i:Cl-Hg-O,13.0,A4B5C4_aP13_2_2i_a2i_2i:Cl-Hg-O +mp-733794,HgClO4,-4.00138628,-0.3448909683,0.0947866879,0.0947866879,GGA,Pbcm,ABC4_oP24_57_d_c_2de:Cl-Hg-O,24.0,ABC4_oP24_57_d_c_2de:Cl-Hg-O +mp-30937,HgClO3,-3.8626509302,-0.4641942985,0.0427101415,0.0427101415,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:Cl-Hg-O,40.0,ABC3_mP40_14_2e_2e_6e:Cl-Hg-O +mp-22999,Hg3(ClO)2,-2.8741373429,-0.8024956518,0.0073523334,0.0073523334,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Cl-Hg-O,14.0,A2B3C2_mP14_14_e_ae_e:Cl-Hg-O +mp-540645,Hg3(ClO)2,-2.87695466,-0.8053129689,0.0045350163,0.0045350163,GGA,P2_1/c,A2B3C2_mP56_14_4e_6e_4e:Cl-Hg-O,56.0,A2B3C2_mP56_14_4e_6e_4e:Cl-Hg-O +mp-1203944,Hg2ClO6,-3.9863693435,-0.4156993815,0.0199510894,0.0199510894,GGA,P2_1/c,AB2C6_mP72_14_2e_4e_12e:Cl-Hg-O,72.0,AB2C6_mP72_14_2e_4e_12e:Cl-Hg-O +mp-1193816,Hg3(ClO5)2,-3.9582230867,-0.3532229848,0.0843989848,0.0843989848,GGA,C2/c,A2B3C10_mC60_15_f_cf_5f:Cl-Hg-O,30.0,A2B3C10_mC60_15_f_af_5f:Cl-Hg-O +mp-761037,Hg(ClO3)2,-4.1767941122,-0.4344734508,0.0,-0.0028670193,GGA,P2_1,A2BC6_mP18_4_2a_a_6a:Cl-Hg-O,18.0,"Invalid WP multiplicities - A2BC6_mP18_4_3a_a_11a:Cl-Hg-O, expected HgCl3O11 to be Hg(ClO3)2" +mp-1202055,HgClO6,-4.1339038781,-0.1548602166,0.1755741968,0.1755741968,GGA,Imma,ABC6_oI64_74_h_h_g3hj:Cl-Hg-O,32.0,ABC6_oI64_74_h_h_g3hj:Cl-Hg-O +mp-1238611,HgClO6,-3.8566261488,0.1224175128,0.4528519262,0.4528519262,GGA,Imma,ABC6_oI64_74_h_h_g3hj:Cl-Hg-O,32.0,ABC6_oI64_74_h_h_g3hj:Cl-Hg-O +mp-558260,Hg6Cl3O2,-2.1612772572,-0.5920891124000001,0.1103258128,0.1103258128,GGA,Ia-3d,A3B6C2_cI176_230_g_h_e:Cl-Hg-O,88.0,A3B6C2_cI176_230_g_h_e:Cl-Hg-O +mp-558934,Hg3ClO,-2.1415959233,-0.6003426301,0.0045865405,0.0045865405,GGA,C2/c,AB3C_mC120_15_3f_9f_3f:Cl-Hg-O,60.0,"Invalid WP multiplicities - AB3C_mC120_15_11f_35f_9f:Cl-Hg-O, expected Hg35Cl11O9 to be Hg3ClO" +mp-643293,SrMgNiH4,-3.7556682186,-0.5212661667,0.0,-0.0705815827,GGA,P2_13,A4BCD_cP28_198_ab_a_a_a:H-Mg-Ni-Sr,28.0,A4BCD_cP28_198_ab_a_a_a:H-Mg-Ni-Sr +mp-1021905,SrMg6Ni,-2.0561600225,0.0777537817,0.1856273237,0.1856273237,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Sr,8.0,A6BC_oC16_38_abde_a_b:Mg-Ni-Sr +mp-1022106,SrMg6Ni,-2.056027005,0.0778867992,0.1857603412,0.1857603412,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Sr, expected SrMg12Ni to be SrMg6Ni" +mp-699151,Sr6Mg7H26,-3.2868245482000003,-0.4778553626,0.0041308426,0.0041308426,GGA,C2/m,A26B7C6_mC78_12_5i4j_ah2i_3i:H-Mg-Sr,39.0,A26B7C6_mC78_12_5i4j_ah2i_3i:H-Mg-Sr +mp-707440,Sr2Mg3H10,-3.2613313053,-0.4541921382,0.002783816,0.002783816,GGA,C2/m,A10B3C2_mC60_12_eh4i2j_g2i_2i:H-Mg-Sr,30.0,A10B3C2_mC60_12_eg4i2j_h2i_2i:H-Mg-Sr +mp-644225,Sr2MgH6,-3.3581476922,-0.5430784448,0.0062100925,0.0062100925,GGA,P-3m1,A6BC2_hP9_164_i_a_d:H-Mg-Sr,9.0,A6BC2_hP9_164_i_a_d:H-Mg-Sr +mp-1028382,SrMg14Ni,-1.8113402544,0.0557566727,0.1203726986,0.1203726986,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Sr, expected SrMg18Ni to be SrMg14Ni" +mp-1028355,SrMg14Ni,-1.7853686838,0.0817282433,0.1463442692,0.1463442692,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Sr, expected SrMg26Ni to be SrMg14Ni" +mp-643009,SrMgH4,-3.3077305592,-0.4976176119,0.0,-0.007278319,GGA,Cmc2_1,A4BC_oC24_36_4a_a_a:H-Mg-Sr,12.0,A4BC_oC24_36_4a_a_a:H-Mg-Sr +mp-21727,CuGe5Pb3O14,-6.5597719365,-1.8812532795,0.0040413089,0.0040413089,GGA,C2/c,AB5C14D3_mC92_15_a_e2f_7f_ef:Cu-Ge-O-Pb,46.0,"Invalid WP multiplicities - AB5C14D3_mC92_15_a_e3f_8f_ef:Cu-Ge-O-Pb, expected CuGe7Pb3O16 to be CuGe5Pb3O14" +mp-6680,RbCa2Ta3O10,-8.9449474169,-3.3179503022,0.026989221,0.026989221,GGA,P4/mmm,A2B10CD3_tP16_123_h_e2gi_c_bg:Ca-O-Rb-Ta,16.0,A2B10CD3_tP16_123_h_e2gi_c_bg:Ca-O-Rb-Ta +mp-6064,Sr3MgPtO6,-6.4844019436,-2.6280359439,0.0,-0.03284784,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Mg-O-Pt-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Mg-O-Pt-Sr +mp-1103033,SrMgPt,-3.8777017908,-0.7573995164,0.0,-0.0676791751,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Pt-Sr,12.0,ABC_oP12_62_c_c_c:Mg-Pt-Sr +mp-1192413,CsInTe3O8,-5.7650995323,-1.7150600345,0.0,-0.0036949221,GGA,P-1,ABC8D3_aP26_2_i_bd_8i_3i:Cs-In-O-Te,26.0,ABC8D3_aP26_2_i_bd_8i_3i:Cs-In-O-Te +mp-1209361,RbEu(MoO4)2,-8.3825887867,-2.3407266381,0.0070679067,0.0070679067,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Eu-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Eu-Mo-O-Rb +mp-20277,RbEuO2,-7.8222322625,-2.5395039388,0.0,-0.1236752164,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-O-Rb,4.0,AB2C_hR12_166_a_c_b:Eu-O-Rb +mp-862792,Pr3AgGeS7,-5.9411902108,-1.7117360282,0.0,-0.0342981783,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Ag-Ge-Pr-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Ag-Ge-Pr-S +mp-864906,MgSnIr2,-6.160528465,-0.3388483987,0.0,-0.0027649237,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Sn,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Sn +mp-1343260,Mg2SnIrO6,-6.6824305165,-2.1095606762,0.139606867,0.139606867,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ir-Mg-O-Sn,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_10e_b:Ir-Mg-O-Sn, expected Mg2SnIrO20 to be Mg2SnIrO6" +mp-1049287,HoMg(SnO3)2,-6.9556984265,-2.5675019367000003,0.1979111072,0.1979111072,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ho-Mg-O-Sn,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ho-Mg-O-Sn, expected HoMg(SnO6)2 to be HoMg(SnO3)2" +mp-973977,HoSnO3,-6.82203584,-2.1356264682,0.8692622737,0.8692622737,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ho-O-Sn,5.0,AB3C_cP5_221_b_c_a:Ho-O-Sn +mp-977388,HoMgSn,-3.952741945,-0.5553216867,0.0,-0.0722272824,GGA,I4/mmm,ABC_tI12_139_e_c_e:Ho-Mg-Sn,6.0,ABC_tI12_139_e_c_e:Ho-Mg-Sn +mp-3884,Ho2Sn2O7,-7.7410830809,-3.031011951,0.0,-0.0471813601,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Ho-O-Sn +mp-2229029,MgMo2(IrO6)2,-7.5604122765,-1.6587232668,0.1050365316,0.1050365316,GGA+U,P1,A2BC2D12_aP17_1_2a_a_2a_12a:Ir-Mg-Mo-O,17.0,A2BC2D12_aP17_1_2a_a_2a_12a:Ir-Mg-Mo-O +mp-1047086,MoIrO6,-7.6065565419,-1.4360294722,0.0183095077,0.0183095077,GGA+U,P2_1/c,ABC6_mP16_14_a_d_3e:Ir-Mo-O,16.0,"Invalid WP multiplicities - ABC6_mP16_14_a_b_10e:Ir-Mo-O, expected MoIrO20 to be MoIrO6" +mp-1189157,Mn5SiB2,-8.48524681,-0.410974556,0.0,-0.0036189644,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Mn-Si,16.0,A2B5C_tI32_140_h_cl_a:B-Mn-Si +mp-1105397,MnFe4SiB2,-8.0875303738,-0.3592551608,0.0166784911,0.0166784911,GGA,I4/mcm,A2B4CD_tI32_140_h_l_c_a:B-Fe-Mn-Si,16.0,A2B4CD_tI32_140_h_l_c_a:B-Fe-Mn-Si +mp-1221654,MnFeB,-8.40855455,-0.3047451257,0.0474621433,0.0474621433,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Fe-Mn,6.0,ABC_oF24_69_f_g_h:B-Fe-Mn +mp-1220938,Nb3(CuS3)2,-6.8550149714,-1.0985579113,0.0514543569,0.0514543569,GGA,P3m1,A2B3C6_hP22_156_3ab_3a3b_6a6b:Cu-Nb-S,22.0,A2B3C6_hP22_156_3ab_3a3b_6a6b:Cu-Nb-S +mp-1193370,Nb2CuS4,-6.8217249375,-0.9863511921,0.2184235649,0.2184235649,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S +mp-1210558,Nb2CuS4,-6.7757044496,-0.9403307043,0.2644440528,0.2644440528,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S +mp-1237864,Nb2CuS4,-6.7203184446,-0.8849446993000001,0.3198300578,0.3198300578,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Cu-Nb-S +mp-1220691,Nb2CuS4,-7.0378750143,-1.2025012689,0.0022734882,0.0022734882,GGA,P3m1,AB2C4_hP7_156_a_ab_2a2b:Cu-Nb-S,7.0,AB2C4_hP7_156_a_ab_2a2b:Cu-Nb-S +mp-1025305,Nb2CuS4,-6.5911192257,-0.7557454804,0.4490292767,0.4490292767,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Cu-Nb-S,7.0,AB2C4_hP7_164_a_d_2d:Cu-Nb-S +mp-1238816,Cr2CuS4,-6.4191809807,-0.7118808268,0.2097479036,0.1256179287,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-Cu-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-Cu-S +mp-1238801,Cr2CuS4,-6.5194388421,-0.8121386882,0.1094900421,0.0253600672,GGA,P2/m,A2BC4_mP7_10_bc_e_mn:Cr-Cu-S,14.0,"Invalid WP multiplicities - A2BC4_mP7_10_bc_d_2mn:Cr-Cu-S, expected Cr2CuS6 to be Cr2CuS4" +mp-1238791,Cr2CuS4,-6.4917538,-0.7844536461,0.1371750843,0.0530451094,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Cu-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Cu-S +mp-22803,Cr2CuS4,-6.6289288843000005,-0.9216287304,0.0,-0.0841299749,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Cu-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Cu-S +mp-1238841,Cr2CuS4,-6.4561248982,-0.7488247443,0.1728039861,0.0886740112,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Cu-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Cu-S +mp-1238809,Cr2CuS4,-6.4273409421,-0.7200407882000001,0.2015879421,0.1174579672,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Cu-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Cu-S +mp-1238867,Cr2CuS4,-6.4197448279,-0.7124446739,0.2091840564,0.1250540815,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Cu-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Cu-S +mp-1239195,Cr2CuS4,-6.5289989446,-0.8216987907000001,0.0999299396,0.0157999647,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Cr-Cu-S,28.0,A2BC4_oP28_62_ac_c_2cd:Cr-Cu-S +mp-5621,NbCu3S4,-5.7163126038000005,-0.8482220391,0.0,-0.0974141656,GGA,P-43m,A3BC4_cP8_215_c_b_e:Cu-Nb-S,8.0,A3BC4_cP8_215_c_b_e:Cu-Nb-S +mp-690962,Nb24(CuS8)5,-7.4886861119,-1.2802027933,0.0375482349,0.0375482349,GGA,Cm,A5B24C40_mC138_8_5a_24a_40a:Cu-Nb-S,69.0,A5B24C40_mC138_8_5a_24a_40a:Cu-Nb-S +mp-1226309,CrCuS4,-5.6953305692,-0.6456549679,0.0055922725,0.0055922725,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Cr-Cu-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Cr-Cu-S, expected CrCuS8 to be CrCuS4" +mp-555345,CrCuS2,-6.0897079575,-0.5834194891,0.22300565,0.22300565,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Cu-S,4.0,ABC2_hR12_160_a_a_2a:Cr-Cu-S +mp-5862,CrCuS2,-6.2751840275,-0.7688955591000001,0.03752958,0.03752958,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Cu-S,4.0,ABC2_hR12_160_a_a_2a:Cr-Cu-S +mp-1226246,CrCuS2,-6.05815619,-0.5518677216,0.2545574175,0.2545574175,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Cu-S,4.0,ABC2_hR12_160_a_a_2a:Cr-Cu-S +mp-1239212,NbCr3(CuS4)2,-6.4914863143,-0.7521677625000001,0.2495868879,0.2495868879,GGA,P1,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S,28.0,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S +mp-1239235,NbCr3(CuS4)2,-6.4975739861,-0.7582554343,0.2434992161,0.2434992161,GGA,P1,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S,28.0,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S +mp-1239273,NbCr3(CuS4)2,-6.64871834,-0.9093997882,0.0923548622,0.0923548622,GGA,P1,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S,28.0,A3B2CD8_aP28_1_6a_4a_2a_16a:Cr-Cu-Nb-S +mp-1239160,NbCr3(CuS4)2,-6.4982368629,-0.7589183111000001,0.2428363394,0.2428363394,GGA,P-1,A3B2CD8_aP28_2_3i_2i_i_8i:Cr-Cu-Nb-S,28.0,A3B2CD8_aP28_2_3i_2i_i_8i:Cr-Cu-Nb-S +mp-1239154,NbCr3(CuS4)2,-6.4625923866,-0.7232738348000001,0.2784808156,0.2784808156,GGA,P2_1,A3B2CD8_mP56_4_6a_4a_2a_16a:Cr-Cu-Nb-S,56.0,A3B2CD8_mP56_4_6a_4a_2a_16a:Cr-Cu-Nb-S +mp-1239157,NbCr3(CuS4)2,-6.7116955757,-0.9723770239,0.0293776265,0.0293776265,GGA,C2,A3B2CD8_mC28_5_ac_c_b_4c:Cr-Cu-Nb-S,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_5_ac_c_b_8c:Cr-Cu-Nb-S, expected NbCr3(CuS8)2 to be NbCr3(CuS4)2" +mp-1239147,NbCr3(CuS4)2,-6.6318911643,-0.8925726125000001,0.1091820379,0.1091820379,GGA,Pm,A3B2CD8_mP14_6_a2b_ab_a_4a4b:Cr-Cu-Nb-S,14.0,A3B2CD8_mP14_6_a2b_ab_a_4a4b:Cr-Cu-Nb-S +mp-1239145,NbCr3(CuS4)2,-6.4635475339,-0.7242289821,0.2775256683,0.2775256683,GGA,Pc,A3B2CD8_mP56_7_6a_4a_2a_16a:Cr-Cu-Nb-S,56.0,"Invalid WP multiplicities - A3B2CD8_mP56_7_8a_6a_2a_24a:Cr-Cu-Nb-S, expected NbCr4(CuS4)3 to be NbCr3(CuS4)2" +mp-1239222,NbCr3(CuS4)2,-6.6196979257,-0.8803793739,0.1213752765,0.1213752765,GGA,P2/m,A3B2CD8_mP14_10_ak_de_b_mno:Cr-Cu-Nb-S,14.0,"Invalid WP multiplicities - A3B2CD8_mP14_10_dk_ab_e_2m2no:Cr-Cu-Nb-S, expected NbCr3(CuS6)2 to be NbCr3(CuS4)2" +mp-1239164,NbCr3(CuS4)2,-6.6508152857,-0.9114967339,0.0902579165,0.0902579165,GGA,P2_1/m,A3B2CD8_mP28_11_ade_2e_e_4e2f:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_mP28_11_2abe_2e_e_4e3f:Cr-Cu-Nb-S, expected NbCr4(CuS5)2 to be NbCr3(CuS4)2" +mp-1239202,NbCr3(CuS4)2,-6.5158002354,-0.7764816836,0.2252729669,0.2252729669,GGA,P2_1/m,A3B2CD8_mP28_11_3e_2e_e_8e:Cr-Cu-Nb-S,28.0,A3B2CD8_mP28_11_3e_2e_e_8e:Cr-Cu-Nb-S +mp-1239255,NbCr3(CuS4)2,-6.6280418164,-0.8887232646000001,0.1130313858,0.1130313858,GGA,P2_1/c,A3B2CD8_mP28_14_ae_e_d_4e:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_mP28_14_ae_e_d_6e:Cr-Cu-Nb-S, expected NbCr3(CuS6)2 to be NbCr3(CuS4)2" +mp-1239151,NbCr3(CuS4)2,-6.7129467546,-0.9736282029,0.0281264476,0.0281264476,GGA,P222_1,A3B2CD8_oP28_17_abc_e_d_4e:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_17_2a2cd_e_b_16e:Cr-Cu-Nb-S, expected NbCr5(CuS16)2 to be NbCr3(CuS4)2" +mp-1239153,NbCr3(CuS4)2,-6.7152625729,-0.9759440211,0.0258106294,0.0258106294,GGA,P222_1,A3B2CD8_oP28_17_ae_cd_b_4e:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_17_ae_2c2d_b_14e:Cr-Cu-Nb-S, expected NbCr3(CuS7)4 to be NbCr3(CuS4)2" +mp-1239129,NbCr3(CuS4)2,-6.5145564546,-0.7752379029,0.2265167476,0.2265167476,GGA,Pmc2_1,A3B2CD8_oP28_26_a2b_ab_a_4a4b:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_26_2a2b_2ab_a_5a7b:Cr-Cu-Nb-S, expected NbCr4(CuS4)3 to be NbCr3(CuS4)2" +mp-1239130,NbCr3(CuS4)2,-6.6550329632,-0.9157144114,0.086040239,0.086040239,GGA,Pmc2_1,A3B2CD8_oP28_26_ac_ab_b_2a2b2c:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_26_ac_a2b_b_3a3b5c:Cr-Cu-Nb-S, expected NbCr3Cu3S16 to be NbCr3(CuS4)2" +mp-1239159,NbCr3(CuS4)2,-6.5174439504,-0.7781253986000001,0.2236292519,0.2236292519,GGA,Pmc2_1,A3B2CD8_oP28_26_a2b_ab_a_4a4b:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_26_2a2b_a2b_a_6a6b:Cr-Cu-Nb-S, expected NbCr4(CuS4)3 to be NbCr3(CuS4)2" +mp-1239121,NbCr3(CuS4)2,-6.3209856914,-0.5816671396,0.4200875108,0.4200875108,GGA,Pmn2_1,A3B2CD8_oP28_31_3a_2a_a_4a2b:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_31_5a_4a_a_8a7b:Cr-Cu-Nb-S, expected NbCr5(Cu2S11)2 to be NbCr3(CuS4)2" +mp-1239155,NbCr3(CuS4)2,-6.5139764979,-0.7746579461,0.2270967044,0.2270967044,GGA,Pmn2_1,A3B2CD8_oP28_31_3a_2a_a_8a:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_31_5a_4a_a_16a:Cr-Cu-Nb-S, expected NbCr5(CuS4)4 to be NbCr3(CuS4)2" +mp-1239214,NbCr3(CuS4)2,-6.5196936954,-0.7803751436,0.2213795069,0.2213795069,GGA,Pmn2_1,A3B2CD8_oP28_31_3a_2a_a_8a:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_31_5a_4a_a_16a:Cr-Cu-Nb-S, expected NbCr5(CuS4)4 to be NbCr3(CuS4)2" +mp-1239268,NbCr3(CuS4)2,-6.5175521532000005,-0.7782336014,0.223521049,0.223521049,GGA,Pmn2_1,A3B2CD8_oP28_31_3a_2a_a_8a:Cr-Cu-Nb-S,28.0,"Invalid WP multiplicities - A3B2CD8_oP28_31_5a_4a_a_16a:Cr-Cu-Nb-S, expected NbCr5(CuS4)4 to be NbCr3(CuS4)2" +mp-775950,Li4CaNiO4,-5.578943141,-2.0581248538,0.0841637505,0.0841637505,GGA+U,Pbca,AB4CD4_oP80_61_c_4c_c_4c:Ca-Li-Ni-O,80.0,"Invalid WP multiplicities - AB4CD4_oP80_61_c_13c_c_13c:Ca-Li-Ni-O, expected Li13CaNiO13 to be Li4CaNiO4" +mp-1180844,KCu3SiSe4,-4.1848535089,-0.5385220758,0.11735365,0.11735365,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Si,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-Si +mp-989549,Cs2PbClF6,-4.153189575,-2.2711033471,0.0,-0.0196052093,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cl-Cs-F-Pb,10.0,AB2C6D_cF40_225_a_c_e_b:Cl-Cs-F-Pb +mp-27581,Pb7(ClF6)2,-5.0239173767,-2.5180435471,0.0106722438,0.0106722438,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Cl-F-Pb,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_6j6k_ejk:Cl-F-Pb, expected Pb7(ClF18)2 to be Pb7(ClF6)2" +mp-1179937,PbClF,-4.4931924433,-2.0023048775,0.14218037,0.1193701508,GGA,P2_1,ABC_mP6_4_a_a_a:Cl-F-Pb,6.0,ABC_mP6_11_e_e_e:Cl-F-Pb +mp-613652,PbClF,-4.388442705,-1.8975551392,0.2469301083,0.2241198892,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-F-Pb,6.0,ABC_tP6_129_a_c_c:Cl-F-Pb +mp-22964,PbClF,-4.6353728133,-2.1444852475,0.0,-0.0228102192,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Pb,6.0,ABC_tP6_129_c_a_c:Cl-F-Pb +mp-1207303,Pb2Cl2F,-3.371108488,-0.7643392025,0.9906345605,0.9906345605,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-F-Pb,5.0,A2BC2_tP5_123_g_a_g:Cl-F-Pb +mp-1110916,K2NdAgBr6,-3.775934816,-1.861967685,0.077495255,0.077495255,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Nd +mp-1205865,Rb2NaPdF6,-4.501113445,-2.5078785397,0.0,-0.0059626332,GGA,I4/mmm,A6BCD2_tI20_139_eh_a_b_d:F-Na-Pd-Rb,10.0,A6BCD2_tI20_139_eh_a_b_d:F-Na-Pd-Rb +mp-1113670,Rb2NaPdF6,-4.490481423,-2.4972465177,0.010632022,0.0046693888,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Pd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Pd-Rb +mp-1110619,Na2TlCrF6,-5.277916252,-2.6649547511,0.19830511,0.19830511,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-Na-Tl +mp-1205742,Tl3CrF6,-5.272258269,-2.4512731975,0.0,-0.0544682173,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Cr-F-Tl,10.0,AB6C3_cF40_225_a_e_bc:Cr-F-Tl +mp-1208169,Tl2CrF6,-5.31155963,-2.439647678,0.0648465071,0.0648465071,GGA+U,Fm-3m,AB6C2_cF36_225_a_e_c:Cr-F-Tl,9.0,AB6C2_cF36_225_a_e_c:Cr-F-Tl +mp-27861,Ce(Re2Si)2,-9.9559065757,-0.4470731536,0.0,-0.1137199712,GGA,Cmmm,AB4C2_oC14_65_a_gh_h:Ce-Re-Si,7.0,"Invalid WP multiplicities - AB4C2_oC14_65_a_2g2h_h:Ce-Re-Si, expected Ce(Re4Si)2 to be Ce(Re2Si)2" +mp-1197667,Ce2Re3Si5,-8.205463526,-0.5728285245,0.0,-0.0680428381,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Ce-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Ce-Re-Si +mp-1203675,Ce12(ReC3)5,-8.7736108134,-0.278308058,0.0,-0.008156288,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Ce-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Ce-Re +mp-985704,Ce2ReC2,-8.848273082,-0.294665786,0.0,-0.0571762431,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Ce-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Ce-Re +mp-1025285,Ce2Re2Si2C,-8.6541305514,-0.5349113754,0.0,-0.0430603996,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Ce-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Ce-Re-Si +mp-1206583,CeRe2SiC,-9.535489131,-0.4402637215,0.0,-0.0552916399,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ce-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ce-Re-Si +mp-1224030,InCuO3,-5.712232692,-1.3740413852,0.0418181916,0.0418181916,GGA,R3m,ABC3_hR15_160_a_a_3a:Cu-In-O,5.0,ABC3_hR15_160_a_a_3a:Cu-In-O +mp-975443,InCuO3,-5.246440988,-0.9082496812,0.5076098956,0.5076098956,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-In-O,5.0,ABC3_cP5_221_b_a_c:Cu-In-O +mp-616501,InCu6ClO8,-5.4687295338,-1.1706689025,0.0,-0.0784319043,GGA,Fm-3m,AB6CD8_cF64_225_a_d_b_f:Cl-Cu-In-O,16.0,AB6CD8_cF64_225_a_d_b_f:Cl-Cu-In-O +mp-1147679,In(Cu3O4)2,-5.590813978,-1.1294517487,0.0,-0.0285444968,GGA,Fm-3m,A6BC8_cF60_225_d_a_f:Cu-In-O,15.0,A6BC8_cF60_225_d_a_f:Cu-In-O +mp-20476,In2CuO4,-5.6478663157,-1.4493907479,0.2471801129,0.2471801129,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-In-O,7.0,AB2C4_tI14_139_a_e_cd:Cu-In-O +mp-1102607,Cu2ClO3,-4.8277907708,-0.6799547485,0.1046917067,0.1046917067,GGA,P2_1/m,AB2C3_mP12_11_e_ae_ef:Cl-Cu-O,12.0,AB2C3_mP12_11_e_ae_ef:Cl-Cu-O +mp-1190990,Cu2ClO3,-4.8087936275,-0.6609576052,0.12368885,0.12368885,GGA,P2_1/c,AB2C3_mP24_14_e_abe_3e:Cl-Cu-O,24.0,AB2C3_mP24_14_e_ade_3e:Cl-Cu-O +mp-1191807,Cu2ClO3,-4.8054359458,-0.6575999235000001,0.1270465317,0.1270465317,GGA,Pnma,AB2C3_oP24_62_c_ac_cd:Cl-Cu-O,24.0,AB2C3_oP24_62_c_ac_cd:Cl-Cu-O +mp-1181675,Cu2ClO3,-4.8079570746,-0.6601210523000001,0.1245254029,0.1245254029,GGA,R-3,AB2C3_hR144_148_cf_ae2f_4f:Cl-Cu-O,48.0,AB2C3_hR144_148_cf_ae2f_4f:Cl-Cu-O +mp-1102345,Cu2ClO3,-4.8095644033,-0.6617283810000001,0.1229180742,0.1229180742,GGA,R-3m,AB2C3_hR36_166_c_ad_h:Cl-Cu-O,12.0,AB2C3_hR36_166_c_ad_h:Cl-Cu-O +mp-1191430,CuCl3O2,-3.1086345833,0.1477310954,0.7829960723,0.7829960723,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:Cl-Cu-O,24.0,A3BC2_mP24_14_3e_e_2e:Cl-Cu-O +mp-1213604,CuCl3O2,-3.2683967096,-0.0120310308,0.623233946,0.623233946,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:Cl-Cu-O,24.0,A3BC2_mP24_14_3e_e_2e:Cl-Cu-O +mp-605333,In2Cu2O5,-5.7529634533,-1.4823829693,0.0468234978,0.0468234978,GGA,P2/c,A2B2C5_mP36_13_2g_2g_ef4g:Cu-In-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_13_5g_4g_2ef14g:Cu-In-O, expected In8Cu10O31 to be In2Cu2O5" +mp-21617,In2Cu2O5,-5.7542065975,-1.4836261135,0.0455803536,0.0455803536,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Cu-In-O,36.0,A2B2C5_oP36_33_2a_2a_5a:Cu-In-O +mp-997026,CuClO2,-4.4786361062,-0.5183559181,0.1716922826,0.1716922826,GGA,C2,ABC2_mC16_5_c_c_2c:Cl-Cu-O,8.0,"Invalid WP multiplicities - ABC2_mC16_5_c_c_3c:Cl-Cu-O, expected CuClO3 to be CuClO2" +mp-997104,CuClO2,-4.4508976638,-0.4906174756,0.1994307251,0.1994307251,GGA,C2/m,ABC2_mC16_12_i_i_j:Cl-Cu-O,8.0,ABC2_mC16_12_i_i_j:Cl-Cu-O +mp-997020,CuClO2,-4.4719443613,-0.5116641731,0.1783840276,0.1783840276,GGA,C222_1,ABC2_oC16_20_a_b_c:Cl-Cu-O,8.0,ABC2_oC16_20_a_b_c:Cl-Cu-O +mp-23516,Cu2Cl2O,-4.274309816,-0.9058747417,0.02158359,0.02158359,GGA,Fddd,A2B2C_oF40_70_e_c_a:Cl-Cu-O,10.0,A2B2C_oF40_70_e_c_a:Cl-Cu-O +mp-20930,InCuO2,-5.6712605,-1.4851935444,0.0052967625,0.0052967625,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-In-O,4.0,ABC2_hR12_166_a_b_c:Cu-In-O +mp-549158,InCuO2,-5.6712419662,-1.4851750106,0.0053152963,0.0053152963,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cu-In-O,8.0,ABC2_hP8_194_c_a_f:Cu-In-O +mp-1102554,CuClO,-4.389254245,-0.7577768979,0.0709240144,0.0709240144,GGA,P2_1/c,ABC_mP12_14_e_e_e:Cl-Cu-O,12.0,ABC_mP12_14_e_e_e:Cl-Cu-O +mp-1181633,CuClO,-4.4489197487,-0.8174424017,0.0112585107,0.0112585107,GGA,Pna2_1,ABC_oP48_33_4a_4a_4a:Cl-Cu-O,48.0,ABC_oP48_33_4a_4a_4a:Cl-Cu-O +mp-1202347,Cu(ClO7)2,-4.1850732879,0.3472750619,0.6306235156000001,0.6306235156000001,GGA,P2_1/c,A2BC14_mP102_14_3e_ae_21e:Cl-Cu-O,102.0,A2BC14_mP102_14_3e_ae_21e:Cl-Cu-O +mp-1079516,Cu(ClO)2,-3.395852287,0.1420791955,0.8018011178000001,0.8018011178000001,GGA,Pmna,A2BC2_oP10_53_h_a_e:Cl-Cu-O,10.0,A2BC2_oP10_53_h_a_e:Cl-Cu-O +mp-759544,In3Cu3O8,-5.7649987007,-1.4702714943,0.0306872963,0.0306872963,GGA,P2_1/c,A3B3C8_mP28_14_ae_de_4e:Cu-In-O,28.0,"Invalid WP multiplicities - A3B3C8_mP28_14_2a2e_d2e_15e:Cu-In-O, expected In5(CuO5)6 to be In3Cu3O8" +mp-1213144,Cu(Cl2O)2,-2.8480463257,0.2072009218,0.7517137591,0.7517137591,GGA,Fddd,A4BC2_oF56_70_h_a_c:Cl-Cu-O,14.0,A4BC2_oF56_70_h_a_c:Cl-Cu-O +mp-1183539,CaHoO3,-7.185042324,-2.8994273472,0.4413417949,0.4413417949,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Ho-O,5.0,ABC3_cP5_221_a_b_c:Ca-Ho-O +mp-1227515,CaHo2(GeO3)4,-7.521395825,-2.8359856368000003,0.0,-0.0004032834,GGA,Cmme,AB4C2D12_oC76_67_c_o_ae_mn2o:Ca-Ge-Ho-O,38.0,"Invalid WP multiplicities - AB4C2D12_oC76_67_c_o_ae_3m2n9o:Ca-Ge-Ho-O, expected CaHo2(Ge2O23)2 to be CaHo2(GeO3)4" +mp-675539,Na7Cu3O8,-4.8245815111,-1.4285366914,0.0014269675,0.0014269675,GGA,P-1,A3B7C8_aP18_2_ai_b3i_4i:Cu-Na-O,18.0,"Invalid WP multiplicities - A3B7C8_aP18_2_a2i_b6i_7i:Cu-Na-O, expected Na13Cu5O14 to be Na7Cu3O8" +mp-779328,NaCu2O3,-5.1783901142,-1.118222653,0.0997581817,0.0997581817,GGA,C2/m,A2BC3_mC24_12_adg_h_ij:Cu-Na-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_acg_h_2i2j:Cu-Na-O, expected Na(CuO3)2 to be NaCu2O3" +mp-2408760,NaCu2O3,-5.2392547642,-1.179087303,0.0388935317,0.0388935317,GGA,C2/m,A2BC3_mC24_12_adg_h_ij:Cu-Na-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_acg_h_2i2j:Cu-Na-O, expected Na(CuO3)2 to be NaCu2O3" +mp-1101698,NaCu2O3,-5.2484912475,-1.1883237863,0.0296570483,0.0296570483,GGA,Pmmn,A2BC3_oP12_59_e_a_be:Cu-Na-O,12.0,"Invalid WP multiplicities - A2BC3_oP12_59_e_a_2b3e:Cu-Na-O, expected Na(CuO4)2 to be NaCu2O3" +mp-754631,NaCu2O3,-5.2043349683,-1.1441675071,0.0738133275,0.0738133275,GGA,Cmmm,A2BC3_oC12_65_g_c_ag:Cu-Na-O,6.0,"Invalid WP multiplicities - A2BC3_oC12_65_g_c_a2g:Cu-Na-O, expected NaCu2O5 to be NaCu2O3" +mp-778925,Na6CuO4,-4.2345303686,-1.341701889,0.079910362,0.079910362,GGA,Cc,AB6C4_mC44_9_a_6a_4a:Cu-Na-O,22.0,AB6C4_mC44_9_a_6a_4a:Cu-Na-O +mp-754835,Na6CuO4,-4.2125544355,-1.3197259558,0.1018862952,0.1018862952,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cu-Na-O,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Cu-Na-O, expected Na16CuO4 to be Na6CuO4" +mp-22305,NaCu3(RuO3)4,-6.83327687,-1.3293758701,0.0130582146,0.0130582146,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-Ru,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-Ru +mp-754399,Na4CuO3,-4.4057610556,-1.3770893084,0.0380176216,0.0380176216,GGA,Cc,AB4C3_mC32_9_a_4a_3a:Cu-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_8a_6a:Cu-Na-O, expected Na8CuO6 to be Na4CuO3" +mp-773596,Na7(CuO3)2,-4.5307811817,-1.3883663376,0.0436347928,0.0436347928,GGA,C2/c,A2B7C6_mC60_15_f_e3f_3f:Cu-Na-O,30.0,"Invalid WP multiplicities - A2B7C6_mC60_15_f_2e11f_11f:Cu-Na-O, expected Na12CuO11 to be Na7(CuO3)2" +mp-780403,NaCu3O2,-4.8071676946,-0.8882472403,0.0508238392,0.0508238392,GGA,Pbca,A3BC2_oP48_61_3c_c_2c:Cu-Na-O,48.0,"Invalid WP multiplicities - A3BC2_oP48_61_9c_c_5c:Cu-Na-O, expected NaCu9O5 to be NaCu3O2" +mp-1101713,NaCu3O2,-4.8308143442,-0.9118938898,0.0271771896,0.0271771896,GGA,Ibam,A3BC2_oI24_72_ce_b_j:Cu-Na-O,12.0,A3BC2_oI24_72_ce_b_j:Cu-Na-O +mp-1200359,Na12(CuO2)7,-4.8149687297,-1.3659265428,0.0188726083,0.0188726083,GGA,Cm,A7B12C14_mC66_8_a3b_2a5b_2a6b:Cu-Na-O,33.0,A7B12C14_mC66_8_a3b_2a5b_2a6b:Cu-Na-O +mp-779159,Na8Cu2O7,-4.487841199,-1.3463449245,0.1027846257,0.1027846257,GGA,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Cu-Na-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:Cu-Na-O, expected Na31(CuO9)3 to be Na8Cu2O7" +mp-754584,Na5CuO4,-4.4040930915,-1.3542342933,0.0933697905,0.0933697905,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Cu-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:Cu-Na-O, expected Na14CuO10 to be Na5CuO4" +mp-779650,Na5CuO4,-4.4178265505,-1.3679677523,0.0796363315,0.0796363315,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Cu-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Cu-Na-O, expected Na17CuO13 to be Na5CuO4" +mp-780220,Na5CuO4,-4.4031254152,-1.353266617,0.0943374667,0.0943374667,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Cu-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Cu-Na-O, expected Na17CuO13 to be Na5CuO4" +mp-752584,Na5Cu7O13,-5.1484950516,-1.1639339955,0.0870490472,0.0870490472,GGA,P1,A7B5C13_aP25_1_7a_5a_13a:Cu-Na-O,25.0,A7B5C13_aP25_1_7a_5a_13a:Cu-Na-O +mp-7469,NaCuO,-4.6890220767,-1.2328818518,0.0,-0.0732044346,GGA,I4/mmm,ABC_tI24_139_h_i_j:Cu-Na-O,12.0,ABC_tI24_139_h_i_j:Cu-Na-O +mp-1008867,NaCuO,-4.1493535967,-0.6932133718,0.53966848,0.4664640454,GGA,F-43m,ABC_cF12_216_a_b_c:Cu-Na-O,3.0,ABC_cF12_216_a_b_c:Cu-Na-O +mp-1221729,Na5(CuO2)3,-4.8419237457,-1.3711824068,0.0134414664,0.0134414664,GGA,P2_1/c,A3B5C6_mP56_14_3e_5e_6e:Cu-Na-O,56.0,A3B5C6_mP56_14_3e_5e_6e:Cu-Na-O +mp-505090,Na(CuO)2,-5.0097485065,-1.1268852953,0.0,-0.0097837485,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Cu-Na-O,20.0,A2BC2_oP20_62_2c_c_2c:Cu-Na-O +mp-760829,Na(CuO)2,-4.9926040528,-1.1097408416,0.0171444538,0.0073607052,GGA,P4_2/nmc,A2BC2_tP40_137_2g_g_2g:Cu-Na-O,40.0,"Invalid WP multiplicities - A2BC2_tP40_137_11g_g_9g:Cu-Na-O, expected NaCu11O9 to be Na(CuO)2" +mp-758835,Na(Cu3O4)2,-5.3742439567,-1.0081589564,0.0085791294,0.0085791294,GGA,Fm-3m,A6BC8_cF60_225_d_a_f:Cu-Na-O,15.0,A6BC8_cF60_225_d_a_f:Cu-Na-O +mp-759535,Na3Cu5O4,-4.7465739619,-1.0590436223,0.0269328433,0.0269328433,GGA,P2_1/c,A5B3C4_mP48_14_5e_3e_4e:Cu-Na-O,48.0,"Invalid WP multiplicities - A5B3C4_mP48_14_17e_11e_13e:Cu-Na-O, expected Na11Cu17O13 to be Na3Cu5O4" +mp-1176398,Na2Cu3O4,-5.0115048011,-1.152679752,0.0757035042,0.0757035042,GGA,Immm,A3B2C4_oI18_71_ae_f_m:Cu-Na-O,9.0,"Invalid WP multiplicities - A3B2C4_oI18_71_a2e_f_m:Cu-Na-O, expected Na2Cu5O4 to be Na2Cu3O4" +mp-755530,Na3CuO2,-4.3442754067,-1.3509154112,0.0100295958,-0.0149945983,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:Cu-Na-O,24.0,"Invalid WP multiplicities - AB3C2_mP24_14_e_11e_7e:Cu-Na-O, expected Na11CuO7 to be Na3CuO2" +mp-778612,Na3CuO2,-4.3420645763,-1.3487045808,0.0122404262,-0.0127837679,GGA,P2_12_12_1,AB3C2_oP96_19_4a_12a_8a:Cu-Na-O,96.0,"Invalid WP multiplicities - AB3C2_oP96_19_13a_45a_29a:Cu-Na-O, expected Na45Cu13O29 to be Na3CuO2" +mp-754352,Na3CuO2,-4.3313288425,-1.337968847,0.02297616,-0.0020480342,GGA,Ibam,AB3C2_oI24_72_c_bf_j:Cu-Na-O,12.0,"Invalid WP multiplicities - AB3C2_oI24_72_c_b2f_j:Cu-Na-O, expected Na5CuO2 to be Na3CuO2" +mp-779502,Na3CuO2,-4.3382275344,-1.3448675389,0.0160774681,-0.008946726,GGA,P4_12_12,AB3C2_tP48_92_b_2a2b_2b:Cu-Na-O,48.0,"Invalid WP multiplicities - AB3C2_tP48_92_b_7a10b_9b:Cu-Na-O, expected Na27(CuO9)2 to be Na3CuO2" +mp-755401,Na3CuO2,-4.3543050025,-1.360945007,0.0,-0.0250241942,GGA,P4_2/mnm,AB3C2_tP24_136_f_gi_i:Cu-Na-O,24.0,"Invalid WP multiplicities - AB3C2_tP24_136_f_2g3i_i:Cu-Na-O, expected Na8CuO2 to be Na3CuO2" +mp-779545,Na3CuO2,-4.3139035217,-1.3205435262,0.0404014808,0.0153772867,GGA,R-3c,AB3C2_hR36_167_b_e_c:Cu-Na-O,12.0,AB3C2_hR36_167_b_e_c:Cu-Na-O +mp-754483,Na3(CuO2)2,-4.8909382322,-1.3406333361,0.0433478517,0.0343872572,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:Cu-Na-O,9.0,"Invalid WP multiplicities - A2B3C4_mC18_12_i_a2i_3i:Cu-Na-O, expected Na5(CuO3)2 to be Na3(CuO2)2" +mp-559817,Na3(CuO2)2,-4.9342860839,-1.3839811877,0.0,-0.0089605944,GGA,P2_1/c,A2B3C4_mP36_14_2e_3e_4e:Cu-Na-O,36.0,"Invalid WP multiplicities - A2B3C4_mP36_14_4e_9e_13e:Cu-Na-O, expected Na9Cu4O13 to be Na3(CuO2)2" +mp-778419,Na14Cu2O9,-4.1973821024,-1.3480234684,0.0756704854,0.0756704854,GGA,P-3,A2B14C9_hP25_147_d_c2g_adg:Cu-Na-O,25.0,"Invalid WP multiplicities - A2B14C9_hP25_147_d_c7g_a2d3g:Cu-Na-O, expected Na44Cu2O23 to be Na14Cu2O9" +mp-754468,NaCuO2,-5.1574899431,-1.3287125966,0.0265431106,-0.0764517009,GGA,P-1,ABC2_aP16_2_2i_adi_4i:Cu-Na-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_ad2i_7i:Cu-Na-O, expected Na3Cu3O7 to be NaCuO2" +mp-4541,NaCuO2,-5.1763529675,-1.347575621,0.0076800862,-0.0953147253,GGA,C2/m,ABC2_mC8_12_a_c_i:Cu-Na-O,4.0,ABC2_mC8_12_a_d_i:Cu-Na-O +mp-754718,NaCuO2,-5.0976316575,-1.268854311,0.0864013962,-0.0165934153,GGA,Cmc2_1,ABC2_oC16_36_a_a_2a:Cu-Na-O,8.0,"Invalid WP multiplicities - ABC2_oC16_36_a_a_3a:Cu-Na-O, expected NaCuO3 to be NaCuO2" +mp-997041,NaCuO2,-5.1840330537,-1.3552557073,0.0,-0.1029948116,GGA,Cmcm,ABC2_oC16_63_c_c_f:Cu-Na-O,8.0,ABC2_oC16_63_c_c_f:Cu-Na-O +mp-1120791,NaCuO2,-4.9507583925,-1.121981046,0.2332746612,0.1302798497,GGA,P4/mmm,ABC2_tP4_123_b_c_e:Cu-Na-O,4.0,ABC2_tP4_123_b_c_e:Cu-Na-O +mp-578606,NaCuO2,-5.0600346125,-1.231257266,0.1239984412,0.0210036297,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Na-O,4.0,ABC2_hR12_166_a_b_c:Cu-Na-O +mp-556538,Na8(CuO2)5,-4.8803328696,-1.3784579648,0.0059144228,0.0059144228,GGA,Cm,A5B8C10_mC46_8_a2b_2a3b_2a4b:Cu-Na-O,23.0,"Invalid WP multiplicities - A5B8C10_mC46_8_a3b_2a6b_2a7b:Cu-Na-O, expected Na14Cu7O16 to be Na8(CuO2)5" +mp-757403,Na7Cu7O13,-5.0860141507,-1.2986409289,0.0430176833,0.0430176833,GGA,P1,A7B7C13_aP27_1_7a_7a_13a:Cu-Na-O,27.0,A7B7C13_aP27_1_7a_7a_13a:Cu-Na-O +mp-2725306,NaCu3O4,-5.276829395,-1.1009668764,0.0483765219,0.0483765219,GGA,P-1,A3BC4_aP8_2_ai_e_2i:Cu-Na-O,8.0,"Invalid WP multiplicities - A3BC4_aP8_2_ai_e_3i:Cu-Na-O, expected Na(CuO2)3 to be NaCu3O4" +mp-756095,NaCu3O4,-5.2651313262,-1.0892688077,0.0600745906,0.0600745906,GGA,Cm,A3BC4_mC16_8_3a_a_2b:Cu-Na-O,8.0,A3BC4_oC16_65_ag_c_p:Cu-Na-O +mp-1404389,NaCu3O4,-5.260973335,-1.0851108164,0.0642325819,0.0642325819,GGA,Cmm2,A3BC4_oC16_35_ad_b_f:Cu-Na-O,8.0,A3BC4_oC16_65_ag_c_p:Cu-Na-O +mp-887324,NaCu3O4,-5.2639319425,-1.0880694239,0.0612739744,0.0612739744,GGA,Cmmm,A3BC4_oC16_65_ag_c_p:Cu-Na-O,8.0,A3BC4_oC16_65_ag_c_p:Cu-Na-O +mp-773466,NaCu3O4,-5.2310999962,-1.0552374777,0.0941059206,0.0941059206,GGA,P4_122,A3BC4_tP32_91_a2b_a_2d:Cu-Na-O,32.0,"Invalid WP multiplicities - A3BC4_tP32_91_3a7b_a_7d:Cu-Na-O, expected Na(Cu5O7)2 to be NaCu3O4" +mp-756009,NaCu3O4,-5.295861615,-1.1199990964,0.0293443019,0.0293443019,GGA,Pm-3n,A3BC4_cP16_223_c_a_e:Cu-Na-O,16.0,A3BC4_cP16_223_c_a_e:Cu-Na-O +mp-762063,Na4Cu6O5,-4.7103155847,-1.069063268,0.0462942748,0.0462942748,GGA,P-62c,A6B4C5_hP30_190_i_ah_fh:Cu-Na-O,30.0,"Invalid WP multiplicities - A6B4C5_hP30_190_i_a2h_2f3h:Cu-Na-O, expected Na7Cu6O13 to be Na4Cu6O5" +mp-779478,Na9Cu2O7,-4.3983431367,-1.3579008056,0.0752600988,0.0752600988,GGA,Pca2_1,A2B9C7_oP72_29_2a_9a_7a:Cu-Na-O,72.0,"Invalid WP multiplicities - A2B9C7_oP72_29_5a_33a_25a:Cu-Na-O, expected Na33(CuO5)5 to be Na9Cu2O7" +mp-777853,Na9Cu2O7,-4.3910034847,-1.3505611536,0.0825997507,0.0825997507,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Cu-Na-O,72.0,"Invalid WP multiplicities - A2B9C7_cP72_198_5a_10a23b_2a19b:Cu-Na-O, expected Na79Cu5O59 to be Na9Cu2O7" +mp-28556,Na3CuO3,-4.7237157429,-1.451308788,0.0,-0.0212830848,GGA,Cmce,AB3C3_oC168_64_3f_e2f3g_d4g:Cu-Na-O,84.0,AB3C3_oC168_64_3f_e2f3g_d4g:Cu-Na-O +mp-761827,Na3CuO3,-4.7197444846,-1.4473375298,0.0039712582,-0.0173118265,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Cu-Na-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Cu-Na-O, expected Na8CuO7 to be Na3CuO3" +mp-769021,Na2CuO2,-4.589027813,-1.2615008771,0.12427983,0.12427983,GGA,P2_1,AB2C2_mP40_4_4a_8a_8a:Cu-Na-O,40.0,"Invalid WP multiplicities - AB2C2_mP40_4_7a_15a_15a:Cu-Na-O, expected Na15Cu7O15 to be Na2CuO2" +mp-1079427,Na2CuO2,-4.639794006,-1.3122670701,0.073513637,0.073513637,GGA,P2_1/m,AB2C2_mP10_11_e_2e_2e:Cu-Na-O,10.0,AB2C2_mP10_11_e_2e_2e:Cu-Na-O +mp-754549,Na2CuO2,-4.66548107,-1.3379541341,0.047826573,0.047826573,GGA,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Cu-Na-O,10.0,"Invalid WP multiplicities - AB2C2_oC20_36_a_4a_3a:Cu-Na-O, expected Na4CuO3 to be Na2CuO2" +mp-755974,Na2CuO2,-4.659750554,-1.3322236181,0.053557089,0.053557089,GGA,Immm,AB2C2_oI10_71_a_e_f:Cu-Na-O,5.0,AB2C2_oI10_71_a_e_f:Cu-Na-O +mp-1147569,Na2CuO2,-4.130844688,-0.8033177521,0.582462955,0.582462955,GGA,I4/mmm,AB2C2_tI10_139_a_d_c:Cu-Na-O,5.0,AB2C2_tI10_139_a_d_c:Cu-Na-O +mp-1206985,TiFe3N,-8.668377978,-0.3399678637,0.418833782,0.418833782,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Fe-N-Ti,5.0,A3BC_cP5_221_c_b_a:Fe-N-Ti +mp-1245996,Ti(FeN)4,-8.7177698333,-0.3709302159,0.2605855608,0.2605855608,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Fe-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Fe-N-Ti +mp-1220101,NdTiFe11N,-8.3144838743,-0.1594576111,0.1205518636,0.1205518636,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Nd-Ti,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Nd-Ti +mp-1245552,TiFeN2,-9.2090744106,-0.9494486415,0.1563718344,0.1563718344,GGA,Pnma,AB2C_oP16_62_c_2c_c:Fe-N-Ti,16.0,AB2C_oP16_62_c_2c_c:Fe-N-Ti +mp-1246645,TiFeN2,-9.0498210787,-0.7901953096000001,0.3156251663,0.3156251663,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Fe-N-Ti,8.0,AB2C_hP8_194_a_f_c:Fe-N-Ti +mp-772991,Er2Bi2O7,-7.2306966509,-2.5540387547,0.09614776,0.09614776,GGA,P4_1,A2B2C7_tP44_76_2a_2a_7a:Bi-Er-O,44.0,"Invalid WP multiplicities - A2B2C7_tP44_76_7a_3a_25a:Bi-Er-O, expected Er3Bi7O25 to be Er2Bi2O7" +mp-549709,ErBi2ClO4,-6.724106045,-2.4886074731,0.0,-0.0513172174,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Er-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Er-O +mp-1207247,Er2Cl2O,-5.058905294,-1.5030653638,1.326937412,1.326937412,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Er-O,5.0,A2B2C_tP5_123_g_g_a:Cl-Er-O +mp-772790,Er(Bi3O5)4,-6.3051646994,-1.7722143177,0.0591951869,0.0591951869,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Er-O,33.0,"Invalid WP multiplicities - A12BC20_cI66_197_f_a_6c5f:Bi-Er-O, expected Er(BiO7)12 to be Er(Bi3O5)4" +mp-1181421,Er(ClO2)3,-5.0723912075,-1.0930451018,0.2178343447,0.2178343447,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Er-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Er-O +mp-1189007,Er(ClO2)3,-4.701558126,-0.7222120203,0.5886674262,0.5886674262,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Er-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Er-O +mp-754989,Er(BiO2)3,-6.79651955,-2.2195877032,0.0416081625,0.0416081625,GGA,R-3,A3BC6_hR60_148_f_ab_2f:Bi-Er-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_148_f_ab_7f:Bi-Er-O, expected Er(BiO7)3 to be Er(BiO2)3" +mp-1069613,Er2BiO2,-7.57133655,-2.9974757155,0.0,-0.0714052253,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Er-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Er-O +mp-754636,ErBiO3,-7.458220703,-2.8085658883,0.05151718,0.05151718,GGA,R-3,ABC3_hR30_148_c_c_f:Bi-Er-O,10.0,ABC3_hR30_148_c_c_f:Bi-Er-O +mp-754943,ErBiO3,-7.478872331,-2.8292175162,0.030865552,0.030865552,GGA,R3c,ABC3_hR30_161_a_a_b:Bi-Er-O,10.0,ABC3_hR30_161_a_a_b:Bi-Er-O +mp-29888,Er(ClO4)3,-5.3095947775,-0.9674951947,0.0,-0.0773118941,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Er-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_2h2i:Cl-Er-O, expected Er(ClO6)3 to be Er(ClO4)3" +mp-755689,ErClO,-7.3180765917,-3.5304285313,0.0,-0.0898205067,GGA,Pmmn,ABC_oP6_59_a_b_a:Cl-Er-O,6.0,ABC_oP6_59_a_b_a:Cl-Er-O +mp-1178350,ErClO,-7.297981295,-3.5103332346,0.0200952967,-0.06972521,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Er-O,6.0,ABC_tP6_129_c_c_a:Cl-Er-O +mp-15415,K2GaAs2,-3.404209366,-0.4907832207,0.0,-0.0212515834,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:As-Ga-K,40.0,A2BC2_mP40_14_4e_2e_4e:As-Ga-K +mp-9676,K2NaGaAs2,-3.1485993508,-0.5003233475000001,0.0,-0.04025067,GGA,Ibam,A2BC2D_oI24_72_j_a_j_b:As-Ga-K-Na,12.0,A2BC2D_oI24_72_j_a_j_b:As-Ga-K-Na +mp-1225940,K30Ga9As19,-3.050152854,-0.4796686763,0.0,-0.0638882996,GGA,R-3,A19B9C30_hR348_148_ab6f_3f_10f:As-Ga-K,116.0,"Invalid WP multiplicities - A19B9C30_hR348_148_ab32f_16f_46f:As-Ga-K, expected K138Ga48As97 to be K30Ga9As19" +mp-15432,K2Ga2As3,-3.645243427,-0.4660512621,0.0,-0.0147724941,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:As-Ga-K,56.0,A3B2C2_mP56_14_6e_4e_4e:As-Ga-K +mp-567524,K3Ga3As4,-3.5690327037,-0.4638368509,0.0,-0.010642185,GGA,Pnna,A4B3C3_oP40_52_2e_de_ce:As-Ga-K,40.0,"Invalid WP multiplicities - A4B3C3_oP40_52_9e_2d3e_3c3e:As-Ga-K, expected K9(Ga4As9)2 to be K3Ga3As4" +mp-1229112,AgMo12PbS16,-7.6664072017,-0.9038671262,0.0573772728,0.0573772728,GGA,R-3,AB12CD16_hR90_148_a_2f_b_2c2f:Ag-Mo-Pb-S,30.0,"Invalid WP multiplicities - AB12CD16_hR90_148_a_11f_b_3c11f:Ag-Mo-Pb-S, expected AgMo66PbS72 to be AgMo12PbS16" +mp-35109,Ag(Mo3S4)2,-7.6324512213,-0.8992475148,0.0619968842,0.0619968842,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ag-Mo-S,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_2c2f:Ag-Mo-S, expected Ag(Mo3S8)2 to be Ag(Mo3S4)2" +mp-10502,BaCe2MnS5,-6.8742815544,-2.0265684571,0.6749941459000001,0.6749941459000001,GGA,I4/mcm,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Mn-S,18.0,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Mn-S +mp-18445,Ba2MnS3,-6.0986110717,-1.8637252762,0.0,-0.0297004767,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Mn-S,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_2c_c_4c:Ba-Mn-S, expected Ba2MnS4 to be Ba2MnS3" +mp-8347,BaMnS2,-6.4244901175,-1.586017626,0.0123516044,0.0123516044,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ba-Mn-S,16.0,ABC2_oP16_62_c_c_2c:Ba-Mn-S +mp-1111366,Li2AlAgF6,-4.962370727,-2.7758855898,0.3087268785,0.3087268785,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Li +mp-31168,Li2AlAg,-2.8453477075,-0.2463533158,0.0,-0.0370057426,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ag-Al-Li,4.0,ABC2_cF16_216_a_c_bd:Ag-Al-Li +mp-11947,LiAlAg2,-3.0807521525,-0.2508494767,0.0,-0.0895555602,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Li,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Li +mp-1341677,Nb2(CoO3)3,-8.1869049414,-2.0406362367,0.127831757,0.127831757,GGA+U,P3c1,A3B2C9_hP28_158_2ab_2c_3d:Co-Nb-O,28.0,"Invalid WP multiplicities - A3B2C9_hP28_158_3ab_3c_14d:Co-Nb-O, expected Nb3(Co2O21)2 to be Nb2(CoO3)3" +mp-1643959,NbCo3O8,-7.5004217267,-1.5837743838,0.0997427774,0.0997427774,GGA+U,P1,A3BC8_aP24_1_6a_2a_16a:Co-Nb-O,24.0,A3BC8_aP24_1_6a_2a_16a:Co-Nb-O +mp-761589,NbCo3O8,-7.5316616717,-1.6150143288,0.0685028324,0.0685028324,GGA+U,Cc,A3BC8_mC48_9_3a_a_8a:Co-Nb-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Nb-O, expected Nb(CoO10)3 to be NbCo3O8" +mp-757799,NbCo3O8,-7.5033851325,-1.5867377896,0.0967793716,0.0967793716,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Co-Nb-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Nb-O, expected Nb(CoO10)3 to be NbCo3O8" +mp-699370,Nb2CoO6,-8.9580398897,-2.6256998739,0.0464272472,0.0220420351,GGA+U,C2/m,AB2C6_mC36_12_i_aci_g3ij:Co-Nb-O,36.0,AB2C6_mC36_12_i_aci_g3ij:Co-Nb-O +mp-504552,Nb2CoO6,-9.0044671369,-2.6721271211,0.0,-0.0243852121,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Co-Nb-O,36.0,AB2C6_oP36_60_c_d_3d:Co-Nb-O +mp-763481,Nb2CoO6,-8.9823973853,-2.6500573694,0.0220697517,-0.0023154605,GGA+U,P4_2/mnm,AB2C6_tP18_136_a_e_fj:Co-Nb-O,36.0,AB2C6_tP18_136_a_e_fj:Co-Nb-O +mp-1173563,Nb8Pb6O25,-8.4232179403,-2.6090245936,0.0165969182,0.0165969182,GGA,C2,A8B25C6_mC78_5_4c_2a3b10c_3c:Nb-O-Pb,39.0,"Invalid WP multiplicities - A8B25C6_mC78_5_8c_2a3b20c_5c:Nb-O-Pb, expected Nb16(Pb2O9)5 to be Nb8Pb6O25" +mp-754711,Nb2Pb2O7,-8.1526473886,-2.493126916,0.0496695433,0.0496695433,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nb-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2af_c:Nb-O-Pb, expected NbPbO4 to be Nb2Pb2O7" +mp-1332980,Nb2Co2O9,-7.9584958131,-1.8862308845,0.2472830675,0.2472830675,GGA+U,P6_3/mcm,A2B2C9_hP26_193_d_e_gk:Co-Nb-O,26.0,"Invalid WP multiplicities - A2B2C9_hP26_193_d_e_4g5k:Co-Nb-O, expected NbCoO21 to be Nb2Co2O9" +mp-1221063,Nb2PbO6,-8.6910034738,-2.7359602052,0.0102955413,0.0102955413,GGA,Pm,A2B6C_mP45_6_10a_20a10b_5b:Nb-O-Pb,45.0,A2B6C_mP45_6_10a_20a10b_5b:Nb-O-Pb +mp-773965,Nb2PbO6,-8.6888241159,-2.7337808473000003,0.0124748992,0.0124748992,GGA,Ama2,A2B6C_oC180_40_2a4c_2a10b9c_5b:Nb-O-Pb,90.0,"Invalid WP multiplicities - A2B6C_oC180_40_3a8c_4a19b18c_9b:Nb-O-Pb, expected Nb19Pb9O59 to be Nb2PbO6" +mp-1192537,Nb2PbO6,-8.7004313737,-2.7453881051,0.0008676414,0.0008676414,GGA,R3,A2B6C_hR81_146_2b_6b_3a:Nb-O-Pb,27.0,A2B6C_hR81_146_2b_6b_3a:Nb-O-Pb +mp-1192336,Nb2PbO6,-8.7006712878,-2.7456280192,0.0006277273,0.0006277273,GGA,R-3,A2B6C_hR81_148_f_3f_ac:Nb-O-Pb,27.0,"Invalid WP multiplicities - A2B6C_hR81_148_f_5f_ac:Nb-O-Pb, expected Nb2PbO10 to be Nb2PbO6" +mp-558608,Nb2PbO6,-8.6925089552,-2.7374656866,0.0087900599,0.0087900599,GGA,R3m,A2B6C_hR81_160_c_4bc_3a:Nb-O-Pb,27.0,A2B6C_hR81_160_c_4bc_3a:Nb-O-Pb +mp-1220846,Nb2Co(PbO3)3,-7.7129618193,-2.1816906536,0.0556034722,0.0556034722,GGA+U,P-3m1,AB2C9D3_hP15_164_b_d_ei_ad:Co-Nb-O-Pb,60.0,AB2C9D3_hP15_164_b_d_ei_ad:Co-Nb-O-Pb +mp-1173546,Nb4Pb3O13,-8.437661069,-2.6451553382,0.0,-0.0160112001,GGA,Pmma,A4B13C3_oP40_51_bck_3e2f2l_ak:Nb-O-Pb,40.0,"Invalid WP multiplicities - A4B13C3_oP40_51_2bc4k_6e4f7l_a2k:Nb-O-Pb, expected Nb11Pb5O38 to be Nb4Pb3O13" +mp-1220499,Nb4Pb3O13,-8.420421253,-2.6279155222,0.017239816,0.0012286159,GGA,R3m,A4B13C3_hR60_160_ab_a4b_b:Nb-O-Pb,20.0,"Invalid WP multiplicities - A4B13C3_hR60_160_ab_a10b_b:Nb-O-Pb, expected Nb4Pb3O31 to be Nb4Pb3O13" +mp-31513,Nb2Co4O9,-8.315826214,-2.1054209032,0.0118620717,0.0118620717,GGA+U,P-3c1,A4B2C9_hP30_165_2d_c_fg:Co-Nb-O,30.0,"Invalid WP multiplicities - A4B2C9_hP30_165_4d_c_fg:Co-Nb-O, expected Nb2Co8O9 to be Nb2Co4O9" +mp-1291928,Nb2Co4O9,-8.312853108,-2.1024477972,0.0148351777,0.0148351777,GGA+U,Cc,A4B2C9_mC60_9_4a_2a_9a:Co-Nb-O,30.0,A4B2C9_aP30_1_8a_4a_18a:Co-Nb-O +mp-1276507,Nb2Co4O9,-8.3142082953,-2.1038029846,0.0134799903,0.0134799903,GGA+U,P3,A4B2C9_hP30_143_4a4b_4c_6d:Co-Nb-O,30.0,"Invalid WP multiplicities - A4B2C9_hP30_165_4d_c_fg:Co-Nb-O, expected Nb2Co8O9 to be Nb2Co4O9" +mp-1275198,Nb2Co4O9,-8.313974453,-2.1035691423,0.0137138327,0.0137138327,GGA+U,P-3,A4B2C9_hP30_147_4d_2c_3g:Co-Nb-O,30.0,A4B2C9_aP30_1_8a_4a_18a:Co-Nb-O +mp-1232651,Nb2Co4O9,-8.3145494153,-2.1041441046,0.0131388703,0.0131388703,GGA+U,P3c1,A4B2C9_hP30_158_2a2b_2c_3d:Co-Nb-O,30.0,"Invalid WP multiplicities - A4B2C9_hP30_165_4d_c_fg:Co-Nb-O, expected Nb2Co8O9 to be Nb2Co4O9" +mp-675506,Nb6(Pb2O5)5,-7.6586529644,-2.2586159224,0.0805928675,0.0805928675,GGA,P1,A6B25C10_aP41_1_6a_25a_10a:Nb-O-Pb,41.0,A6B25C10_aP41_1_6a_25a_10a:Nb-O-Pb +mp-1173083,Nb6(Pb2O5)5,-7.6580885327,-2.2580514907,0.0811572992,0.0811572992,GGA,Pm,A6B25C10_mP41_6_ab2c_4a5b8c_3a3b2c:Nb-O-Pb,41.0,"Invalid WP multiplicities - A6B25C10_mP41_6_ab4c_4a5b13c_3a3b3c:Nb-O-Pb, expected Nb10Pb12O35 to be Nb6(Pb2O5)5" +mp-1211606,Nb13(Pb3O10)5,-7.9577408015,-2.3892650691,0.0499459515,0.0499459515,GGA,R3m,A13B50C15_hR234_160_4a3b_8a14b_3a4b:Nb-O-Pb,78.0,A13B50C15_hR234_160_4a3b_8a14b_3a4b:Nb-O-Pb +mp-770488,CoPbO3,-6.3154437247,-1.183237525,0.1522265198,0.1522265198,GGA+U,Pbam,AB3C_oP40_55_i_efghi_gh:Co-O-Pb,40.0,"Invalid WP multiplicities - AB3C_oP40_55_i_2e2f3g4h4i_3g3h:Co-O-Pb, expected Co2Pb6O19 to be CoPbO3" +mp-755569,CoPbO3,-6.3287549965,-1.1965487967,0.138915248,0.138915248,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Pb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Co-O-Pb, expected CoPbO7 to be CoPbO3" +mp-1178420,CoPbO3,-6.4182856405,-1.2860794407,0.049384604,0.049384604,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Pb,20.0,AB3C_hR30_148_c_f_c:Co-O-Pb +mp-1205736,NbCo(PbO3)2,-7.340820078,-1.9093151538,0.1128115033,0.1128115033,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Nb-O-Pb,10.0,ABC6D2_cF40_225_a_b_e_c:Co-Nb-O-Pb +mp-707290,Nb10Pb14O39,-7.8073589963,-2.3167086929,0.0961082376,0.0858949751,GGA,P2_1,A10B39C14_mP126_4_10a_39a_14a:Nb-O-Pb,126.0,"Invalid WP multiplicities - A10B39C14_mP126_4_19a_77a_27a:Nb-O-Pb, expected Nb19Pb27O77 to be Nb10Pb14O39" +mp-1101724,Nb10Pb14O39,-7.903467234,-2.4128169305,0.0,-0.0102132625,GGA,Amm2,A10B39C14_oC126_38_3cde_7a8b6f_3c2d2e:Nb-O-Pb,63.0,"Invalid WP multiplicities - A10B39C14_oC126_38_4c2d2e_7a8b14f_4c4d4e:Nb-O-Pb, expected Nb16Pb24O71 to be Nb10Pb14O39" +mp-31518,NbCoO4,-8.4315771017,-2.265514155,0.0198730032,0.0198730032,GGA+U,C2/m,ABC4_mC24_12_i_i_4i:Co-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mC24_12_i_i_7i:Co-Nb-O, expected NbCoO7 to be NbCoO4" +mp-676573,Nb2Pb3O8,-7.6966765664,-2.2417487987,0.1420495379,0.1420495379,GGA,P2,A2B8C3_mP39_3_ab2e_12e_a2c2d2e:Nb-O-Pb,39.0,"Invalid WP multiplicities - A2B8C3_mP39_3_ad4e_24e_a2b2c4e:Nb-O-Pb, expected Nb10Pb13O48 to be Nb2Pb3O8" +mp-1173067,Nb2Pb3O8,-7.6956037033,-2.2406759356,0.143122401,0.143122401,GGA,P2/m,A2B8C3_mP39_10_ego_2m2n4o_abcdfo:Nb-O-Pb,39.0,"Invalid WP multiplicities - A2B8C3_mP39_10_eg2o_4m4n14o_abcdf2o:Nb-O-Pb, expected Nb10Pb13O72 to be Nb2Pb3O8" +mp-542663,Ce2SiTeO4,-8.236283165,-3.2085885302,0.0323188275,0.0323188275,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_c_d:Ce-O-Si-Te,32.0,A2B4CD_oP32_57_cd_2e_c_d:Ce-O-Si-Te +mp-10523,CeSiO4,-8.75594508,-3.5650847417,0.0335869517,0.0335869517,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Ce-O-Si,12.0,AB4C_tI24_141_a_h_b:Ce-O-Si +mp-662527,Ce2Si2O7,-8.778385633,-3.5653278740000003,0.0,-0.0392980755,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Ce-O-Si,44.0,"Invalid WP multiplicities - A2B7C2_mP44_14_6e_24e_6e:Ce-O-Si, expected CeSiO4 to be Ce2Si2O7" +mp-582983,Ce2Si2O7,-8.74394331,-3.530885551,0.034442323,-0.0048557525,GGA,Pca2_1,A2B7C2_oP132_29_6a_21a_6a:Ce-O-Si,132.0,"Invalid WP multiplicities - A2B7C2_oP132_29_22a_77a_19a:Ce-O-Si, expected Ce22Si19O77 to be Ce2Si2O7" +mp-672208,Ce2Si2O7,-8.7754201483,-3.5623623893,0.0029654847,-0.0363325908,GGA,P4_1,A2B7C2_tP88_76_4a_14a_4a:Ce-O-Si,88.0,"Invalid WP multiplicities - A2B7C2_tP88_76_14a_51a_12a:Ce-O-Si, expected Ce14(Si4O17)3 to be Ce2Si2O7" +mp-555617,Ce10Si8O3,-7.0880789767,-1.4893407898,0.0,-0.1185836235,GGA,P6/mmm,A10B3C8_hP21_191_agl_f_dk:Ce-O-Si,21.0,"Invalid WP multiplicities - A10B3C8_hP21_191_a3g4l_f_2d2k:Ce-O-Si, expected Ce34Si16O3 to be Ce10Si8O3" +mp-4873,Ce2TeO2,-8.191725354,-3.2111530288,0.0,-0.1347652798,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ce-O-Te,5.0,A2B2C_tI10_139_e_d_a:Ce-O-Te +mp-31248,Ce2Te4O11,-6.8825290829,-2.2441186296,0.0664197033,0.0664197033,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Ce-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_2e19f_5f:Ce-O-Te, expected Ce(TeO4)5 to be Ce2Te4O11" +mp-4599,Ce(TeO3)2,-6.9510949333,-2.2955579101,0.0112464192,0.0112464192,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ce-O-Te,36.0,AB6C2_mP36_14_e_6e_2e:Ce-O-Te +mp-1046291,Bi5(TeO6)3,-5.9480126281,-1.4221372384,0.0906603021,0.0906603021,GGA,C2,A5B18C3_mC104_5_ab4c_18c_3c:Bi-O-Te,52.0,"Invalid WP multiplicities - A5B18C3_mC104_5_ab8c_36c_4c:Bi-O-Te, expected Bi9(TeO9)4 to be Bi5(TeO6)3" +mp-755419,Bi2TeO2,-5.429647514,-1.2861151988,0.000321012,-0.0082117507,GGA,Fmm2,A2B2C_oF20_42_c_b_a:Bi-O-Te,5.0,A2B2C_tI10_139_e_d_a:Bi-O-Te +mp-849872,Bi2TeO2,-5.429968526,-1.2864362108,0.0,-0.0085327627,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Bi-O-Te,5.0,A2B2C_tI10_139_e_d_a:Bi-O-Te +mp-675724,BiTeO4,-5.4874053163,-1.0256470049,0.5972874817,0.5698228839,GGA,P1,AB4C_aP24_1_4a_16a_4a:Bi-O-Te,24.0,AB4C_aP24_1_4a_16a_4a:Bi-O-Te +mp-1227462,BiTeO4,-6.0802997613,-1.6185414499,0.0043930367,-0.0230715611,GGA,C2,AB4C_mC48_5_abc_8c_2c:Bi-O-Te,24.0,AB4C_mC48_5_abc_8c_2c:Bi-O-Te +mp-863374,BiTeO4,-6.0846927979,-1.6229344865000002,0.0,-0.0274645978,GGA,Cc,AB4C_mC48_9_2a_8a_2a:Bi-O-Te,24.0,"Invalid WP multiplicities - AB4C_mC48_9_3a_16a_4a:Bi-O-Te, expected Bi3(TeO4)4 to be BiTeO4" +mp-667426,Bi2Te2O7,-6.042014094,-1.6243403644,0.0,-0.0047594454,GGA,Pbcn,A2B7C2_oP176_60_4d_14d_4d:Bi-O-Te,176.0,"Invalid WP multiplicities - A2B7C2_oP176_60_24d_105d_26d:Bi-O-Te, expected Bi24Te26O105 to be Bi2Te2O7" +mp-2647012,Bi2Te2O,-4.590971689,-0.8081159374,0.089648677,0.089648677,GGA,P4/nmm,A2BC2_tP10_129_2c_a_2c:Bi-O-Te,10.0,A2BC2_tP10_129_2c_a_2c:Bi-O-Te +mp-1043603,BiTeO5,-5.6866776607,-1.1556435779,0.275036964,0.275036964,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-Te,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-Te, expected BiTeO15 to be BiTeO5" +mp-1042378,BiTeO5,-5.6289092168,-1.097875134,0.3328054079,0.3328054079,GGA,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-Te,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-Te, expected BiTeO31 to be BiTeO5" +mp-27251,Bi2TeO6,-6.12926695,-1.6287762366,0.0,-0.0544441181,GGA,Cmce,A2B6C_oC36_64_f_2ef_a:Bi-O-Te,18.0,"Invalid WP multiplicities - A2B6C_oC36_64_f_3ef_a:Bi-O-Te, expected Bi2TeO8 to be Bi2TeO6" +mp-23334,Bi2TeO5,-6.1026365484,-1.6579205847,0.0,-0.021715127,GGA,Aem2,A2B5C_oC64_39_2cd_ac4d_d:Bi-O-Te,32.0,"Invalid WP multiplicities - A2B5C_oC64_39_2cd_ac5d_d:Bi-O-Te, expected Bi2TeO6 to be Bi2TeO5" +mp-1192658,Bi2Te2SeO10,-5.982318699,-1.5202927899,0.0208698794,0.0208698794,GGA,C2/c,A2B10CD2_mC60_15_f_5f_e_f:Bi-O-Se-Te,30.0,A2B10CD2_mC60_15_f_5f_e_f:Bi-O-Se-Te +mp-28990,Bi2Te4O11,-5.9757187428,-1.5834965277,0.0,-0.0046112877,GGA,P2_1/c,A2B11C4_mP68_14_2e_11e_4e:Bi-O-Te,68.0,"Invalid WP multiplicities - A2B11C4_mP68_14_2e_13e_4e:Bi-O-Te, expected Bi2Te4O13 to be Bi2Te4O11" +mp-1209018,Sc2TlCu3S5,-5.6171881064,-1.2528744063,0.0,-0.0185208186,GGA,Cmcm,A3B5C2D_oC44_63_cf_c2f_f_c:Cu-S-Sc-Tl,22.0,A3B5C2D_oC44_63_cf_c2f_f_c:Cu-S-Sc-Tl +mp-1105893,La3Cu3Bi4,-4.9205058535,-0.673746069,0.0,-0.0188946375,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Cu-La,20.0,A4B3C3_cI40_220_c_a_b:Bi-Cu-La +mp-28727,La4Bi2S9,-6.1833735422,-1.8731698434,0.0110012412,0.0110012412,GGA,Pnma,A2B4C9_oP60_62_2c_4c_9c:Bi-La-S,60.0,"Invalid WP multiplicities - A2B4C9_oP60_62_2c_4c_12c:Bi-La-S, expected La2BiS6 to be La4Bi2S9" +mp-1195675,La2CuBiS5,-5.9284724153,-1.6513658215,0.0,-0.0105138244,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Bi-Cu-La-S,36.0,ABC2D5_oP36_62_c_c_2c_5c:Bi-Cu-La-S +mp-1189076,La5CuBi3,-5.2443831106,-0.7665264900000001,0.0152535017,0.0152535017,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-La,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-La +mp-1224647,La3Nd11(Si3O13)3,-8.6768295674,-3.6928559371,0.0,-0.0003081417,GGA,P6_3,A3B11C39D9_hP124_173_3b_2b3c_3a12c_3c:La-Nd-O-Si,124.0,A3B11C39D9_hP124_173_3b_2b3c_3a12c_3c:La-Nd-O-Si +mp-556962,Pr3CuGeS7,-6.0893887329,-1.7543803281,0.0,-0.0517960306,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Cu-Ge-Pr-S,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_2b8c:Cu-Ge-Pr-S, expected Pr3CuGeS26 to be Pr3CuGeS7" +mp-16684,PrCuS2,-5.9125953638,-1.6243423241,0.0,-0.0375673227,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Cu-Pr-S,16.0,ABC2_mP16_14_e_e_2e:Cu-Pr-S +mp-1192725,Pr4CuS7,-6.2722549554,-1.9240900589,0.1182094284,0.1182094284,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Cu-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Cu-Pr-S +mp-1218648,Sr6Al7ClO16,-7.3327209413,-3.421002689,0.0,-0.0242564204,GGA,I-42d,A7BC16D6_tI120_122_ade_b_4e_c2d:Al-Cl-O-Sr,60.0,"Invalid WP multiplicities - A7BC16D6_tI120_122_ade_b_5e_c3d:Al-Cl-O-Sr, expected Sr8Al7ClO20 to be Sr6Al7ClO16" +mp-628726,Sr(AlCl4)2,-4.4426855264,-2.263691127,0.0083977758,-0.0445719709,GGA,P2/c,A2B8C_mP22_13_g_4g_e:Al-Cl-Sr,22.0,"Invalid WP multiplicities - A2B8C_mP22_13_g_12g_e:Al-Cl-Sr, expected Sr(AlCl12)2 to be Sr(AlCl4)2" +mp-30024,Sr(AlCl4)2,-4.4510833022,-2.2720889028,0.0,-0.0529697467,GGA,Pbca,A2B8C_oP88_61_2c_8c_c:Al-Cl-Sr,88.0,"Invalid WP multiplicities - A2B8C_oP88_61_3c_14c_c:Al-Cl-Sr, expected SrAl3Cl14 to be Sr(AlCl4)2" +mp-569869,Sr(AlCl4)2,-4.4494972614,-2.270502862,0.0015860408,-0.0513837059,GGA,I4_1/acd,A2B8C_tI88_142_e_2g_b:Al-Cl-Sr,44.0,"Invalid WP multiplicities - A2B8C_tI88_142_e_18g_b:Al-Cl-Sr, expected Sr(AlCl36)2 to be Sr(AlCl4)2" +mp-559224,Sr3Al2Cl2O5,-6.7195176181,-3.3036718768,0.0,-0.0094097609,GGA,P2_12_12_1,A2B2C5D3_oP48_19_2a_2a_5a_3a:Al-Cl-O-Sr,48.0,"Invalid WP multiplicities - A2B2C5D3_oP48_19_5a_5a_18a_7a:Al-Cl-O-Sr, expected Sr7Al5Cl5O18 to be Sr3Al2Cl2O5" +mp-1111040,Rb2HgBiI6,-2.556087053,-1.061543479,0.0571564005,0.0571564005,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Hg-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Hg-I-Rb +mp-16605,Sr2TmTaO6,-8.574626394,-3.6353531713,0.0,-0.0411620486,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-Ta-Tm,20.0,A6B2CD_mP20_14_3e_e_a_b:O-Sr-Ta-Tm +mp-19312,BaTb2NiO5,-7.7519761511,-3.118499776,0.0026324381,0.0026324381,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Tb,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Tb +mp-1521244,SmEu(CoO3)4,-7.1676428589,-1.4582471006,0.2417241084,0.2417241084,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Eu-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Eu-O-Sm, expected SmEu(CoO4)4 to be SmEu(CoO3)4" +mp-1096747,ZnGeRh2,-3.23756681,1.9152799912,2.4110728025,2.3800303825,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Rh-Zn,4.0,AB2C_oI8_71_a_e_b:Ge-Rh-Zn +mp-1187920,ZnGeRh2,-5.6486396125,-0.4957928113,0.0,-0.03104242,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Ge-Rh-Zn +mp-1207543,Zn10Ge(B4Rh9)2,-5.9244457628,-0.4321987417,0.0,-0.0016250323,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Ge-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Ge-Rh-Zn +mp-1224127,HoTiFe11C,-8.3047528393,-0.0992671472,0.0403918717,0.0403918717,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Ho-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Ho-Ti +mp-1220452,NbCu3(SeS)2,-5.5104838725,-0.8025279051,0.0,-0.0028732463,GGA,Cmm2,A3BC2D2_oC16_35_ac_a_d_e:Cu-Nb-S-Se,8.0,A3BC2D2_oC16_35_ac_a_d_e:Cu-Nb-S-Se +mp-1220382,Nb5(SeS)2,-8.2892959244,-0.9813794923,0.0075922905,0.0075922905,GGA,C2/m,A5B2C2_mC18_12_a2i_i_i:Nb-S-Se,9.0,A5B2C2_mC18_12_a2i_i_i:Nb-S-Se +mp-1220413,NbSeS,-7.1624726083,-1.2512504802,0.0080723194,0.0080723194,GGA,P-3m1,ABC_hP6_164_c_d_d:Nb-S-Se,6.0,ABC_hP6_164_c_d_d:Nb-S-Se +mp-1310548,Ca2CoIrO6,-7.0638686983,-2.100060298,0.029634606,-0.0250730779,GGA+U,Pc,A2BCD6_mP40_7_4a_2a_2a_12a:Ca-Co-Ir-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_7_8a_3a_3a_24a:Ca-Co-Ir-O, expected Ca8Co3(IrO8)3 to be Ca2CoIrO6" +mp-1287594,Ca2CoIrO6,-7.0935033043,-2.129694904,0.0,-0.0547076839,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Co-Ir-O,40.0,A2BCD6_mP20_14_e_a_b_3e:Ca-Co-Ir-O +mp-1277255,CaFe(GeO3)2,-7.2824495057,-2.342268599,0.0,-0.0077746663,GGA+U,P-1,ABC2D6_aP20_2_i_i_2i_6i:Ca-Fe-Ge-O,40.0,"Invalid WP multiplicities - ABC2D6_aP20_2_i_i_4i_12i:Ca-Fe-Ge-O, expected CaFe(GeO3)4 to be CaFe(GeO3)2" +mp-1043877,CaFe(GeO3)2,-7.2624388722,-2.3222579655,0.0200106335,0.0122359672,GGA+U,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ca-Fe-Ge-O,40.0,ABC2D6_mP40_14_e_e_2e_6e:Ca-Fe-Ge-O +mp-21971,Ca3Fe2(GeO4)3,-7.3373238339,-2.5280143259,0.0,-0.0379916524,GGA+U,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Ca-Fe-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Ca-Fe-Ge-O +mp-1519272,CaFe(GeO3)4,-6.6700163389,-1.7629053919,0.2946115856,0.2946115856,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Fe-Ge-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Fe-Ge-O, expected CaFe(Ge2O9)2 to be CaFe(GeO3)4" +mp-9535,Al6Cd4TeO12,-6.5628852317,-2.7077293862,0.0,-0.0468263257,GGA,I-43m,A6B4C12D_cI46_217_d_c_g_a:Al-Cd-O-Te,23.0,A6B4C12D_cI46_217_d_c_g_a:Al-Cd-O-Te +mp-1220820,NaBi3(ClO2)2,-5.418036455,-1.7852543702,0.0,-0.0099921345,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Cl-Na-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Cl-Na-O +mp-761284,Eu2Mn2O7,-9.1848614132,-2.5062382166,0.0,-0.0484306252,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Eu-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Eu-Mn-O, expected EuMnO10 to be Eu2Mn2O7" +mp-1190662,Eu2MnSi2O7,-9.4200327808,-3.1572431199,0.0,-0.0317571212,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Eu-Mn-O-Si,24.0,A2BC7D2_tP24_113_e_a_cef_e:Eu-Mn-O-Si +mp-542392,EuMn2O5,-9.0484291578,-2.3841196653,0.0,-0.0314923852,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Eu-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Eu-Mn-O +mp-20614,EuMnO3,-9.5115735725,-2.6597569273,0.0,-0.0484522909,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Eu-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Eu-Mn-O +mp-1099619,EuMnO3,-9.462677474,-2.6108608288,0.0488960985,0.0004438076,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Mn-O,5.0,ABC3_cP5_221_a_b_c:Eu-Mn-O +mp-1099747,Eu2Mn2O5,-9.7203523794,-2.6568548527,0.0,-0.0007485001,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Eu-Mn-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Eu-Mn-O +mp-1185574,Eu2Mn2O5,-9.6630313356,-2.5995338088,0.0573210439,0.0565725437,GGA+U,P4/mmm,A2B2C5_tP9_123_ab_h_ci:Eu-Mn-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_ab_h_c2i:Eu-Mn-O, expected Eu2Mn2O9 to be Eu2Mn2O5" +mp-561242,TaAgS3,-6.379751501,-0.9598148542,0.000200564,-0.0057553823,GGA,Cmc2_1,AB3C_oC20_36_a_3a_a:Ag-S-Ta,10.0,"Invalid WP multiplicities - AB3C_oC20_36_a_4a_a:Ag-S-Ta, expected TaAgS4 to be TaAgS3" +mp-5821,TaAgS3,-6.379952065,-0.9600154182,0.0,-0.0059559463,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Ag-S-Ta,10.0,AB3C_oC20_63_a_cf_c:Ag-S-Ta +mp-28703,RbAg5S3,-3.5379255959,-0.4765185193,0.0,-0.0391247765,GGA,P-62c,A5BC3_hP54_190_g2hi_af_3h:Ag-Rb-S,54.0,"Invalid WP multiplicities - A5BC3_hP54_190_g2hi_a2f_6h:Ag-Rb-S, expected Rb5(Ag5S6)3 to be RbAg5S3" +mp-1217770,Ta2AgS4,-7.2798924829,-1.1236195213,0.0639495817,0.0639495817,GGA,P-3m1,AB4C2_hP7_164_a_2d_c:Ag-S-Ta,7.0,AB4C2_hP7_164_a_2d_c:Ag-S-Ta +mp-1210520,Rb2TaAgS2,-4.5630819487,-0.4090316967,0.6387169151000001,0.6387169151000001,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Ag-Rb-S-Ta,24.0,AB2C2D_oF96_70_c_h_h_d:Ag-Rb-S-Ta +mp-677597,Ta4AgS8,-7.690679165,-1.2787356682,0.0001849042,-0.0013856478,GGA,P-1,AB8C4_aP26_2_i_8i_4i:Ag-S-Ta,26.0,"Invalid WP multiplicities - AB8C4_aP26_2_i_15i_8i:Ag-S-Ta, expected Ta8AgS15 to be Ta4AgS8" +mp-1218056,Ta4AgS8,-7.6908640692,-1.2789205724,0.0,-0.0015705521,GGA,Pm,AB8C4_mP13_6_a_4a4b_2a2b:Ag-S-Ta,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Ag-S-Ta +mp-15217,Rb2TaAgS4,-5.4524069175,-1.3027567618,0.0,-0.0548929463,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-S-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-S-Ta +mp-674352,TaAg7S6,-4.4756808243,-0.4396544775,0.0494788293,0.0494788293,GGA,P1,A7B6C_aP14_1_7a_6a_a:Ag-S-Ta,14.0,A7B6C_aP14_1_7a_6a_a:Ag-S-Ta +mp-620369,TaAg7S6,-4.5151901779,-0.4791638311,0.0099694757,0.0099694757,GGA,Pc,A7B6C_mP28_7_7a_6a_a:Ag-S-Ta,28.0,"Invalid WP multiplicities - A7B6C_mP28_7_14a_11a_a:Ag-S-Ta, expected TaAg14S11 to be TaAg7S6" +mp-30543,RbAg7S4,-3.49605092,-0.3831987897,0.0310731332,0.0310731332,GGA,P4/n,A7BC4_tP48_85_d3g_2c_2g:Ag-Rb-S,48.0,"Invalid WP multiplicities - A7BC4_tP48_85_d5g_2c_7g:Ag-Rb-S, expected RbAg11S14 to be RbAg7S4" +mp-20104,RbAg3S2,-3.3659053175,-0.4073883481,0.1486537835,0.1486537835,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Rb-S,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_5i_i_3i:Ag-Rb-S, expected RbAg5S3 to be RbAg3S2" +mp-1205335,RbAg3S2,-3.5008415167,-0.5423245473,0.0137175844,0.0137175844,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Ag-Rb-S,12.0,A3BC2_mC24_12_3i_i_2i:Ag-Rb-S +mp-510240,Rb2Ag4S3,-3.4911926061000003,-0.635565744,0.0,-0.0106601756,GGA,C2/m,A4B2C3_mC36_12_4i_2i_3i:Ag-Rb-S,18.0,A4B2C3_mC36_12_4i_2i_3i:Ag-Rb-S +mp-19896,Li2GePbS4,-4.6497658375,-1.0623508218,0.0,-0.009910297,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Ge-Li-Pb-S,8.0,AB2CD4_tI16_121_a_d_b_i:Ge-Li-Pb-S +mp-13263,Ce2Mo2C3,-9.0354177529,-0.2863498946,0.0,-0.1037481814,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Ce-Mo,7.0,A3B2C2_mC14_12_ai_i_i:C-Ce-Mo +mp-1018666,CeSi2Mo2C,-8.4362695817,-0.4856544271,0.0,-0.0798524184,GGA,P4/mmm,ABC2D2_tP6_123_b_a_e_h:C-Ce-Mo-Si,6.0,ABC2D2_tP6_123_b_a_e_h:C-Ce-Mo-Si +mp-1212955,Eu2Be2SiO7,-8.8898776546,-3.2194636264,0.0027375083,0.0027375083,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Eu-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Eu-O-Si +mp-1194109,EuBe13,-4.3095358943,-0.1045809625,0.0,-0.1045809625,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Eu,28.0,A13B_cF112_226_bi_a:Be-Eu +mp-1184325,EuBeO3,-8.339704094,-2.5724079342,0.261574082,0.261574082,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Eu-O,5.0,ABC3_cP5_221_b_a_c:Be-Eu-O +mp-579259,Eu3BeO5,-9.8084611883,-3.2258098749,0.0,-0.0214784583,GGA,Pnma,AB3C5_oP36_62_c_cd_3cd:Be-Eu-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_4c4d_11c5d:Be-Eu-O, expected Eu12BeO21 to be Eu3BeO5" +mp-29636,KMnBr3,-4.5483431585,-1.5620433127000002,0.001322063,0.001322063,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-K-Mn,20.0,A3BC_oP20_62_3c_c_c:Br-K-Mn +mp-29637,K4MnBr6,-3.9240256245,-1.8402273464,0.0,-0.0002246864,GGA,R-3c,A6B4C_hR66_167_f_ae_b:Br-K-Mn,22.0,A6B4C_hR66_167_f_ae_b:Br-K-Mn +mp-1212020,K8Zr6MnBr20,-4.7243785454000005,-1.8560363383,0.0,-0.0409973972,GGA,Fm-3m,A20B8CD6_cF140_225_ceh_f_a_e:Br-K-Mn-Zr,35.0,A20B8CD6_cF140_225_ceh_f_a_e:Br-K-Mn-Zr +mp-1112879,Cs2TaCuI6,-3.568453793,-0.9096550786,0.202866795,0.202866795,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Ta +mp-1217563,TbFe11W,-8.53333042,-0.0131204477,0.0089868408,0.0089868408,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Tb-W,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Tb-W +mp-1217577,TbFe6Co5W,-8.0100540592,-0.0135761696,0.0699252527,0.0699252527,GGA,Imm2,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-Tb-W,13.0,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-Tb-W +mp-978852,SrGaSnH,-3.5207949925,-0.4908231485,0.0,-0.0002457594,GGA,P3m1,ABCD_hP4_156_a_a_b_c:Ga-H-Sn-Sr,4.0,ABCD_hP4_156_a_a_b_c:Ga-H-Sn-Sr +mp-8914,SrGaSn,-3.44758718,-0.5385334031,0.0,-0.0063183569,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:Ga-Sn-Sr,12.0,"Invalid WP multiplicities - ABC_hP12_194_f_f_2a2b:Ga-Sn-Sr, expected Sr2GaSn to be SrGaSn" +mp-1218328,Sr4GaSn3,-3.35026439,-0.6234162149,0.0090470411,0.0090470411,GGA,Pmm2,AB3C4_oP8_25_a_bcd_abcd:Ga-Sn-Sr,8.0,AB3C4_oP8_25_a_bcd_abcd:Ga-Sn-Sr +mp-567959,Sr11Ga4Sn3,-2.8722444367,-0.4986040121,0.0005896625,0.0005896625,GGA,Fm-3m,A4B3C11_cF144_225_f_e_abfh:Ga-Sn-Sr,36.0,"Invalid WP multiplicities - A4B3C11_cF144_225_f_e_ab3f5h:Ga-Sn-Sr, expected Sr43Ga4Sn3 to be Sr11Ga4Sn3" +mp-1216381,VCu3(TeSe)2,-4.9185585537000005,-0.586063451,0.0022945231,0.0022945231,GGA,Cmm2,A3B2C2D_oC16_35_ac_d_e_a:Cu-Se-Te-V,8.0,A3B2C2D_oC16_35_ac_d_e_a:Cu-Se-Te-V +mp-695001,V6Cu5Te12,-4.9912822461,-0.0904500509,0.4082912168,0.4082912168,GGA,P-1,A5B12C6_aP46_2_5i_12i_6i:Cu-Te-V,46.0,"Invalid WP multiplicities - A5B12C6_aP46_2_9i_23i_11i:Cu-Te-V, expected V11Cu9Te23 to be V6Cu5Te12" +mp-1216358,VCu3Te3Se,-4.8066902987,-0.518270894,0.0025749928,0.0025749928,GGA,R3m,A3BC3D_hR24_160_b_a_b_a:Cu-Se-Te-V,8.0,A3BC3D_hR24_160_b_a_b_a:Cu-Se-Te-V +mp-991652,VCu3Te4,-4.6976775063,-0.4533337996,0.0,-0.0915726505,GGA,P-43m,A3B4C_cP8_215_c_e_b:Cu-Te-V,8.0,A3B4C_cP8_215_c_e_b:Cu-Te-V +mp-1208984,Sc2BeB2Ir5,-8.2173015965,-0.8217710448000001,0.0,-0.1196981186,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Be-Ir-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Be-Ir-Sc +mp-1100429,KSrSb,-2.8591901033,-0.5495588899,0.2446177258,0.2446177258,GGA,F-43m,ABC_cF12_216_a_b_c:K-Sb-Sr,3.0,ABC_cF12_216_a_b_c:K-Sb-Sr +mp-863758,K2SrCdSb2,-2.86356695,-0.6817030188000001,0.0,-0.0195322078,GGA,Pmc2_1,AB2C2D_oP12_26_a_ab_ab_b:Cd-K-Sb-Sr,12.0,"Invalid WP multiplicities - AB2C2D_oP12_26_a_2a2b_2a2b_b:Cd-K-Sb-Sr, expected K4SrCdSb4 to be K2SrCdSb2" +mp-866639,KSr2Cd2Sb3,-3.1000983181,-0.7598271814,0.0,-0.057336803,GGA,Pnma,A2BC3D2_oP32_62_2c_c_3c_2c:Cd-K-Sb-Sr,32.0,A2BC3D2_oP32_62_2c_c_3c_2c:Cd-K-Sb-Sr +mp-1198248,In2Bi3Se7I,-4.038727481,-0.7333750545000001,0.012250539,0.012250539,GGA,Pnma,A3BC2D7_oP52_62_3c_c_2c_7c:Bi-I-In-Se,52.0,A3BC2D7_oP52_62_3c_c_2c_7c:Bi-I-In-Se +mp-23020,BiSeI,-3.66965546,-0.7330664741,0.0128480372,0.0128480372,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-I-Se,12.0,ABC_oP12_62_c_c_c:Bi-I-Se +mp-1201600,In2BiSe4I,-3.869235435,-0.7691268287,0.0117398913,0.0117398913,GGA,Pnma,ABC2D4_oP32_62_c_c_2c_4c:Bi-I-In-Se,32.0,ABC2D4_oP32_62_c_c_2c_4c:Bi-I-In-Se +mp-1112596,Cs2NaAsF6,-4.71704486,-2.7929126352,0.0,-0.002126288,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Na +mp-20707,Gd(CuO2)2,-8.0548840186,-2.0461282436,0.0,-0.0836165753,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Gd-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Gd-O +mp-1184481,GdCuO3,-8.85020497,-2.2471259612,0.1592076013,0.1592076013,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Gd-O,5.0,ABC3_cP5_221_b_a_c:Cu-Gd-O +mp-676060,Gd2CuO4,-10.4649677636,-3.0309383357,0.0288958436,0.0215956671,GGA,P2_1/c,AB2C4_mP14_14_a_e_2e:Cu-Gd-O,14.0,"Invalid WP multiplicities - AB2C4_mP14_14_a_e_5e:Cu-Gd-O, expected Gd2CuO10 to be Gd2CuO4" +mp-4860,Gd2CuO4,-10.4938636071,-3.0598341793,0.0,-0.0073001764,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-Gd-O,14.0,AB2C4_tI14_139_a_e_cd:Cu-Gd-O +mp-1212657,Gd2Cu(GeO4)2,-8.9172125662,-2.6809805238,0.0,-0.000781431,GGA,Cm,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Gd-Ge-O,26.0,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Gd-Ge-O +mp-1212638,Gd2Cu(GeO3)4,-8.2876080884,-2.4926698197,0.0,-0.0021291256,GGA,P-1,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Gd-Ge-O,19.0,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Gd-Ge-O +mp-1209882,Nd2Be2GeO7,-7.9279133975,-3.2391659451,0.0,-0.0287022754,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Nd-O,24.0,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Nd-O +mp-1226641,Co(BRh2)3,-7.3571897205,-0.2239556878,0.0169927455,0.0169927455,GGA,Cm,A3BC6_mC40_8_2a2b_b_6a3b:B-Co-Rh,20.0,A3BC6_mC40_8_2a2b_b_6a3b:B-Co-Rh +mp-1225579,ErCo2(B2Rh)2,-7.1971591489,-0.5048772352,0.0926527916,0.0926527916,GGA,P4_2mc,A4B2CD2_tP18_105_de_d_c_e:B-Co-Er-Rh,18.0,A4B2CD2_tP18_105_de_d_c_e:B-Co-Er-Rh +mp-1224490,Hf2Sb2Pb4O13,-7.5307714667,-2.4198227968,0.0,-0.0363649313,GGA,Imm2,A2B13C4D2_oI42_44_c_2a3b2e_cd_d:Hf-O-Pb-Sb,21.0,A2B13C4D2_oI42_44_c_2a3b2e_cd_d:Hf-O-Pb-Sb +mp-558208,RbInAs2O7,-6.2541110216,-1.9198132406,0.0,-0.256404832,GGA,P-1,A2BC7D_aP44_2_4i_2i_14i_2i:As-In-O-Rb,44.0,"Invalid WP multiplicities - A2BC7D_aP44_2_8i_3i_28i_2i:As-In-O-Rb, expected Rb2In3(As2O7)4 to be RbInAs2O7" +mp-1219360,Sm4TiFe33N4,-8.2832694138,-0.1969237903,0.1389447267,0.1389447267,GGA,P1,A33B4C4D_aP42_1_33a_4a_4a_a:Fe-N-Sm-Ti,42.0,A33B4C4D_aP42_1_33a_4a_4a_a:Fe-N-Sm-Ti +mp-1208661,SmFe12N,-8.298420867899999,-0.1058968979,0.1308231379,0.1308231379,GGA,I4/mmm,A12BC_tI28_139_fij_a_b:Fe-N-Sm,14.0,A12BC_tI28_139_fij_a_b:Fe-N-Sm +mp-1219234,Sm2Fe17N,-8.1699417015,-0.0817403132,0.0839637118,0.0839637118,GGA,C2/m,A17BC2_mC40_12_ceg2i2j_b_i:Fe-N-Sm,20.0,"Invalid WP multiplicities - A17BC2_mC40_12_ae2h3i3j_d_i:Fe-N-Sm, expected Sm2Fe25N to be Sm2Fe17N" +mp-1219025,SmTiFe11N,-8.3304395386,-0.1789533681,0.1184920757,0.1184920757,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Sm-Ti,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Sm-Ti +mp-1190790,Sm2Fe17N3,-8.3716322145,-0.2608586866,0.069189502,0.069189502,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Sm,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Sm +mp-1219235,Sm2Fe17N2,-8.2759045543,-0.1758796643,0.13974705,0.13974705,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_e_i:Fe-N-Sm,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_f_i:Fe-N-Sm, expected Sm2Fe25N2 to be Sm2Fe17N2" +mp-1077953,Eu4As2O,-9.6385644986,-1.7395741098,0.00079556,0.00079556,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:As-Eu-O,7.0,A2B4C_tI14_139_e_ce_a:As-Eu-O +mp-13576,EuAsO4,-8.2456069233,-2.461794415,0.0,-0.2237845657,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Eu-O,12.0,ABC4_tI24_141_a_b_h:As-Eu-O +mp-983564,EuAsO3,-8.219218426,-2.2679811583,0.1458040729,0.1458040729,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-Eu-O,5.0,ABC3_cP5_221_b_a_c:As-Eu-O +mp-1183928,Eu2As2O5,-8.2763860533,-2.2135322793,0.1671673569,0.1671673569,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:As-Eu-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:As-Eu-O, expected Eu2As2O9 to be Eu2As2O5" +mp-980056,Rb2Yb2O5,-5.16123923,-1.853047201,0.35895074,0.35895074,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Rb-Yb,,A5B2C2_tP9_123_ci_ab_h:O-Rb-Yb +mp-980537,RbYbO3,-5.089377144,-1.6173354468,0.418669306,0.418669306,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Yb,,A3BC_cP5_221_c_a_b:O-Rb-Yb +mp-1209110,RbYb(MoO4)2,-7.5723023008,-2.2568896123,0.1061526252,0.1061526252,GGA+U,C2/c,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Yb,,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Yb +mp-7479,RbYbO2,-5.354287235,-2.2509072912,0.181082135,0.181082135,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Yb,,A2BC_hR12_166_c_a_b:O-Rb-Yb +mp-1204196,Yb2Te(Mo3O23)2,-6.20773524,-0.7742060794000001,0.4869745987,0.4869745987,GGA+U,P-1,A6B46CD2_aP55_2_3i_23i_a_i:Mo-O-Te-Yb,,A6B46CD2_aP55_2_3i_23i_a_i:Mo-O-Te-Yb +mp-556143,Na3Ga3(TeO6)2,-5.9229156274,-1.9879786139,0.0,-0.0333465086,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-Na-O-Te,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ga-Na-O-Te +mp-554193,NaGa(TeO3)2,-5.8374037814,-1.8056672444,0.0049753854,0.0049753854,GGA,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ga-Na-O-Te,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_39c_9c:Ga-Na-O-Te, expected NaGa(Te3O13)3 to be NaGa(TeO3)2" +mp-1105987,TmCrTeO6,-7.7707078139,-2.5537832523,0.0,-0.0151762569,GGA+U,P-31c,AB6CD_hP18_163_c_i_d_b:Cr-O-Te-Tm,18.0,AB6CD_hP18_163_c_i_d_b:Cr-O-Te-Tm +mp-1207944,TmCrTeO6,-7.5411514372,-2.3242268756,0.2295563767,0.2143801197,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Tm,18.0,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Tm +mp-641116,GdMn4(CuO4)3,-7.9460538615,-1.8269504638,0.0493402573,0.0493402573,GGA+U,C2/m,A3BC4D12_mC40_12_abc_d_ef_2i2j:Cu-Gd-Mn-O,20.0,"Invalid WP multiplicities - A3BC4D12_mC40_12_abc_d_e2f_4i4j:Cu-Gd-Mn-O, expected GdMn6(CuO8)3 to be GdMn4(CuO4)3" +mp-1181730,GdMn4(CuO4)3,-7.9578118785,-1.8387084808,0.0375822403,0.0375822403,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Gd-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Gd-Mn-O +mp-28997,Y2AlGe3,-5.74011113,-0.6488441931000001,0.0050200182,0.0050200182,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Al-Ge-Y,24.0,AB3C2_oP24_62_c_3c_2c:Al-Ge-Y +mp-10521,Y(AlGe)2,-5.05895308,-0.4182173833,0.0,-0.01915593,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Y,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Y +mp-865747,Y2MgGe2,-5.550062748,-0.7942071507,0.0,-0.0744004293,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Y,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Y +mp-1216247,Y4AlGe8,-5.6718351308,-0.5490902751,0.0491080892,0.0491080892,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Al-Ge-Y,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Al-Ge-Y +mp-1232292,Mg(AlGe)2,-3.75020072,-0.082703236,0.0,-0.0020299915,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Mg,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Mg +mp-29736,YAlGe,-5.610127355,-0.6651024222,0.0,-0.04457931,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ge-Y,6.0,ABC_oC12_63_a_c_c:Al-Ge-Y +mp-1215910,YMgAlGe2,-4.6934407060000005,-0.4817641653,0.0,-0.0006119483,GGA,P3m1,AB2CD_hP5_156_a_ab_b_c:Al-Ge-Mg-Y,5.0,AB2CD_hP5_156_a_ab_b_c:Al-Ge-Mg-Y +mp-1216194,Y7Mg3Ge8,-5.5905470008,-0.7544158462,0.0177735857,0.0177735857,GGA,P2_1,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Y,36.0,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Y +mp-1185671,Mg16Al12Ge,-2.6083526052,-0.0161312736,0.0350613752,0.0350613752,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Ge-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a9b5c:Al-Ge-Mg, expected Mg58Al39Ge to be Mg16Al12Ge" +mp-1185670,Mg16Al12Ge,-2.5905407531,0.0016805784,0.0528732272,0.0528732272,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Ge-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-Ge-Mg, expected Mg60Al12Ge to be Mg16Al12Ge" +mp-864638,Ba2InBiS5,-4.9841057589,-1.5271755284,0.0,-0.0121526967,GGA,Cmc2_1,A2BCD5_oC36_36_2a_a_a_5a:Ba-Bi-In-S,18.0,"Invalid WP multiplicities - A2BCD5_oC36_36_4a_a_a_10a:Ba-Bi-In-S, expected Ba4InBiS10 to be Ba2InBiS5" +mp-1228976,Ba(BiS2)2,-4.9278262059,-1.1927186819,0.0,-0.0528621702,GGA,P-6,AB2C4_hP63_174_acfjk_3j3k_6j6k:Ba-Bi-S,63.0,AB2C4_hP63_174_acfjk_3j3k_6j6k:Ba-Bi-S +mp-28057,Ba(BiS2)2,-4.9176439838,-1.1825364599,0.0101822221,-0.0426799481,GGA,P6_3/m,AB2C4_hP84_176_2h_4h_8h:Ba-Bi-S,84.0,"Invalid WP multiplicities - AB2C4_hP84_176_2h_4h_11h:Ba-Bi-S, expected Ba2Bi4S11 to be Ba(BiS2)2" +mp-1367072,Zn2CuIrO6,-5.773382185,-1.2596561513,0.0593318455,0.0593318455,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cu-Ir-O-Zn,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_10e_e:Cu-Ir-O-Zn, expected Zn2CuIrO20 to be Zn2CuIrO6" +mp-980665,Zn2CuIr,-4.02804589,-0.1637638725,0.0,-0.0001267362,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Zn,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Zn +mp-4938,ScCo3B2,-7.3823553433,-0.5463210047,0.0,-0.1028702271,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Sc,6.0,A2B3C_hP6_191_c_g_a:B-Co-Sc +mp-1208990,Sc2CoB2Ir5,-8.363782459,-0.6313614143,0.0224180995,0.0224180995,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Co-Ir-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Co-Ir-Sc +mp-862712,Sc2CoIr,-7.8787606075,-0.7258380613000001,0.0,-0.0112892575,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Ir-Sc,4.0,ABC2_cF16_225_a_b_c:Co-Ir-Sc +mp-1193429,Sc2(Co7B2)3,-7.2279583966,-0.2618907231,0.0196321278,0.0196321278,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Sc,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Sc +mp-1191630,ScCoB4,-7.3355030712,-0.642444074,0.0,-0.0851926667,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Sc,24.0,A4BC_oP24_55_4h_g_g:B-Co-Sc +mp-20951,GdCoO3,-9.540154408,-2.3352531742,0.2307191605,0.2307191605,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-Gd-O,5.0,ABC3_cP5_221_b_a_c:Co-Gd-O +mp-1224833,Gd2MnCoO6,-10.2240782045,-2.813807221,0.0,-0.0107219891,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-Gd-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_5e:Co-Gd-Mn-O, expected Gd2MnCoO10 to be Gd2MnCoO6" +mp-1217713,Tb2MnSbO7,-8.1507876195,-2.9520085549,0.0,-0.000507073,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Mn-O-Sb-Tb,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Mn-O-Sb-Tb, expected Tb2MnSbO13 to be Tb2MnSbO7" +mp-1217720,Tb2Mn3Sb3O14,-7.7307311505,-2.3491209798,0.1247862362,0.1247862362,GGA+U,C2/m,A3B14C3D2_mC44_12_abc_3i2j_de_f:Mn-O-Sb-Tb,22.0,"Invalid WP multiplicities - A3B14C3D2_mC44_12_abc_5i6j_df_e:Mn-O-Sb-Tb, expected Tb2Mn3Sb3O34 to be Tb2Mn3Sb3O14" +mp-1226319,CrGa3(NiS4)2,-5.2812794879,-0.7534789284000001,0.1216333417,0.1216333417,GGA,Cm,AB3C2D8_mC28_8_a_3a_2a_8a:Cr-Ga-Ni-S,14.0,AB3C2D8_mC28_8_a_3a_2a_8a:Cr-Ga-Ni-S +mp-1104382,Cr2GaS4,-6.5065219307,-0.9522375836,0.0157938161,0.0157938161,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Ga-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Ga-S +mp-985304,Cr(GaS2)2,-5.4996508886,-0.8917881768,0.0704096054,0.0704096054,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Cr-Ga-S,7.0,AB2C4_hP7_164_a_d_2d:Cr-Ga-S +mp-672297,Cr(GaS2)2,-5.3038637557,-0.6960010439000001,0.2661967382,0.2661967382,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cr-Ga-S,14.0,AB2C4_cF56_227_a_d_e:Cr-Ga-S +mp-1226264,Cr4GaS8,-6.7407295869,-0.992123061,0.0,-0.0220253927,GGA,F-43m,A4BC8_cF52_216_e_a_2e:Cr-Ga-S,13.0,A4BC8_cF52_216_e_a_2e:Cr-Ga-S +mp-685267,Cr3GaS6,-6.6402537557,-0.9596599924,0.0368693292,0.0268693768,GGA,P3m1,A3BC6_hP120_156_3a3b3c9d_3a4b5c_6a6b6c18d:Cr-Ga-S,120.0,"Invalid WP multiplicities - A3BC6_hP120_156_3a3b3c25d_3a4b5c_6a6b6c41d:Cr-Ga-S, expected Cr28Ga4S47 to be Cr3GaS6" +mp-1226433,Cr3GaS6,-6.677123085,-0.9965293216,0.0,-0.0099999525,GGA,P3m1,A3BC6_hP40_156_abc3d_2abc_2a2b2c6d:Cr-Ga-S,40.0,"Invalid WP multiplicities - A3BC6_hP40_156_abc9d_2abc_2a2b2c18d:Cr-Ga-S, expected Cr15(GaS15)2 to be Cr3GaS6" +mp-1221980,Mn2Ni(BiO3)3,-6.9970514623,-1.6539959253,0.0718694825,0.0718694825,GGA+U,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Bi-Mn-Ni-O,30.0,"Invalid WP multiplicities - A3B2CD9_mC60_15_2e3f_f_c_2e13f:Bi-Mn-Ni-O, expected Mn2Ni(Bi2O7)4 to be Mn2Ni(BiO3)3" +mp-562612,MnNi(BiO3)2,-6.854883716,-1.6245574660000002,0.0223675959,0.0223675959,GGA+U,C2,A2BCD6_mC40_5_2c_c_ab_6c:Bi-Mn-Ni-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_a_e_4f:Bi-Mn-Ni-O, expected MnNi(BiO4)2 to be MnNi(BiO3)2" +mp-555839,MnNi(BiO3)2,-6.862010262,-1.631684012,0.0152410499,0.0152410499,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Bi-Mn-Ni-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_11e:Bi-Mn-Ni-O, expected MnNi(BiO11)2 to be MnNi(BiO3)2" +mp-23618,MnNi(BiO3)2,-6.854335799,-1.6240095490000002,0.0229155129,0.0229155129,GGA+U,C2/c,A2BCD6_mC40_15_f_c_e_3f:Bi-Mn-Ni-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_a_e_4f:Bi-Mn-Ni-O, expected MnNi(BiO4)2 to be MnNi(BiO3)2" +mp-510113,Mn5(NiBi2)2,-6.4768517477,0.1351761014,0.1743226709,0.1743226709,GGA,F-43m,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Ni,22.0,A4B5C2_cF88_216_abg_ef_e:Bi-Mn-Ni +mp-573541,Sm3(AlNi3)2,-5.6160464514,-0.4953437109,0.8713512425000001,0.8713512425000001,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Al-Ni-Sm,22.0,A2B6C3_cI44_229_c_h_e:Al-Ni-Sm +mp-1208873,SmAl3Ni2,-5.2220253067,-0.6360941425000001,0.2385808788,0.2385808788,GGA,P6/mmm,A3B2C_hP18_191_fk_l_ad:Al-Ni-Sm,18.0,A3B2C_hP18_191_fk_l_ad:Al-Ni-Sm +mp-1045491,Al(NiS2)2,-5.2638522579,-0.7136167354,0.1903691942,0.1903691942,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Al-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Al-Ni-S, expected Al(Ni2S7)2 to be Al(NiS2)2" +mp-1192334,Sm3AlNiS7,-6.2366780942,-1.8502930956,0.0411960918,0.0411960918,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Ni-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Ni-S-Sm +mp-1191453,Sm3AlNi8,-5.7630553687,-0.4178530625,1.1443048528,1.1443048528,GGA,P6_3/mmc,AB8C3_hP24_194_c_abk_df:Al-Ni-Sm,24.0,AB8C3_hP24_194_c_abk_df:Al-Ni-Sm +mp-1191745,Sm4NiS7,-6.3874957875,-1.9200265968,0.1747456804,0.1747456804,GGA,P6_3,AB7C4_hP24_173_a_b2c_bc:Ni-S-Sm,24.0,AB7C4_hP24_173_a_b2c_bc:Ni-S-Sm +mp-1219133,SmAlNi,-5.2036888392,-0.4555892908,0.5553073386,0.5553073386,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Ni-Sm,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Ni-Sm, expected Sm3(AlNi)2 to be SmAlNi" +mp-1219141,SmAlNi,-5.2052862225,-0.4571866742,0.5537099553,0.5537099553,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Ni-Sm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Ni-Sm, expected Sm3(AlNi)2 to be SmAlNi" +mp-1208898,SmAl3Ni,-4.9327301605,-0.5856400995000001,0.1161629368,0.1161629368,GGA,Pnma,A3BC_oP20_62_3c_c_c:Al-Ni-Sm,20.0,A3BC_oP20_62_3c_c_c:Al-Ni-Sm +mp-1025458,SmAl2Ni,-5.10194313,-0.6044745113000001,0.2647001229,0.2647001229,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Ni-Sm,8.0,A2BC_oC16_63_f_c_c:Al-Ni-Sm +mp-11945,SmAl4Ni,-4.8030225125,-0.5561848233000001,0.0286510402,0.0286510402,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Ni-Sm,12.0,A4BC_oC24_63_acf_c_c:Al-Ni-Sm +mp-1206462,Sm2AlNi2,-5.423660998,-0.475056706,0.5847138403000001,0.5847138403000001,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ni-Sm,5.0,AB2C2_oI10_71_a_f_h:Al-Ni-Sm +mp-581770,Sm4Al23Ni6,-4.7513403797,-0.5179037521000001,0.0128274787,0.0128274787,GGA,C2/m,A23B6C4_mC66_12_a11i_3i_2i:Al-Ni-Sm,33.0,"Invalid WP multiplicities - A23B6C4_mC66_12_a21i_3i_4i:Al-Ni-Sm, expected Sm8Al43Ni6 to be Sm4Al23Ni6" +mp-1183929,CsNaO3,-3.68425351,-0.2726547501,0.8390947367,0.8390947367,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cs-Na-O,5.0,ABC3_cP5_221_b_a_c:Cs-Na-O +mp-18182,CsNa3TiO4,-6.0196603631,-2.4035242393000003,0.0,-0.0103444108,GGA,P-1,AB3C4D_aP36_2_2i_6i_8i_2i:Cs-Na-O-Ti,36.0,"Invalid WP multiplicities - AB3C4D_aP36_2_2i_8i_10i_2i:Cs-Na-O-Ti, expected CsNa4TiO5 to be CsNa3TiO4" +mp-560791,CsNaTiO3,-6.9068858042,-2.7479715015,0.0,-0.0204033311,GGA,Cmcm,ABC3D_oC24_63_c_c_ce_c:Cs-Na-O-Ti,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2ce_c:Cs-Na-O-Ti, expected CsNaTiO4 to be CsNaTiO3" +mp-1022729,Na2H6Ir,-3.7404575867,-0.2026974715,0.1508126337,0.1508126337,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:H-Ir-Na,9.0,A6BC2_cF36_225_e_a_c:H-Ir-Na +mp-1182685,Ba3(H6Ir)2,-4.0332870788,-0.2599632129,0.4166576212,0.061058211,GGA,C2/m,A3B12C2_mC34_12_ai_2i2j_i:Ba-H-Ir,17.0,"Invalid WP multiplicities - A3B12C2_mC34_12_ai_4i4j_i:Ba-H-Ir, expected Ba3(H12Ir)2 to be Ba3(H6Ir)2" +mp-643047,Ba3(H6Ir)2,-4.4499447,-0.6766208341000001,0.0,-0.3555994101,GGA,P-3m1,A3B12C2_hP17_164_ad_2i_d:Ba-H-Ir,17.0,A3B12C2_hP17_164_ad_2i_d:Ba-H-Ir +mp-1182061,BaNaH6Ir,-4.2361295333,-0.6320972352,0.0,-0.0293216574,GGA,F-43m,AB6CD_cF36_216_a_g_c_b:Ba-H-Ir-Na,9.0,AB6CD_cF36_216_a_g_c_b:Ba-H-Ir-Na +mp-707836,Na3H6Ir,-3.793475275,-0.477238642,0.0,-0.258042224,GGA,Pnma,A6BC3_oP40_62_2c2d_c_3c:H-Ir-Na,40.0,A6BC3_oP40_62_2c2d_c_3c:H-Ir-Na +mp-1111098,NaLi2MoF6,-5.426133965,-2.6806444708,0.2800006035,0.2800006035,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Mo-Na +mp-1112013,Cs2NaRuF6,-5.001249233,-2.6155885947,0.0,-0.0461405698,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Ru,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Ru +mp-8015,CsRuF6,-5.17529689,-2.4704620504,0.0,-0.2445490145,GGA,R-3m,AB6C_hR24_166_a_h_b:Cs-F-Ru,8.0,AB6C_hR24_166_a_h_b:Cs-F-Ru +mp-1223752,K5BrCl4,-3.667700129,-2.2177831585,0.002931577,0.002931577,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Br-Cl-K,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b2c:Br-Cl-K, expected K5BrCl6 to be K5BrCl4" +mp-1223762,K6Pd3(BrCl2)4,-3.7180804324,-1.6608211128,0.002208839,0.002208839,GGA,Amm2,A4B8C6D3_oC42_38_2ad_4d_3e_ad:Br-Cl-K-Pd,21.0,"Invalid WP multiplicities - A4B8C6D3_oC42_38_2ad_7d_6e_ad:Br-Cl-K-Pd, expected K12Pd3(Br2Cl7)2 to be K6Pd3(BrCl2)4" +mp-1223847,K2PdBrCl3,-3.74788292,-1.6765517751,0.0021904671,0.0021904671,GGA,Amm2,AB3C2D_oC14_38_a_ad_e_a:Br-Cl-K-Pd,7.0,AB3C2D_oC14_38_a_ad_e_a:Br-Cl-K-Pd +mp-1205761,K2PdBr6,-3.2251862222,-1.3675362573,0.0,-0.158039055,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Pd,9.0,A6B2C_cF36_225_e_c_a:Br-K-Pd +mp-1223790,K3BrCl2,-3.622878745,-2.1926623298,0.0030394017,0.0030394017,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Br-Cl-K,6.0,AB2C3_hP6_164_a_d_bd:Br-Cl-K +mp-22956,K2PdCl4,-3.8394257343,-1.7258791137,0.0,-0.0539468579,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Cl-K-Pd,7.0,A4B2C_tP7_123_j_e_a:Cl-K-Pd +mp-1223648,K2BrCl,-3.5666040175,-2.1610132965,0.00342218,0.00342218,GGA,R-3m,ABC2_hR12_166_a_b_c:Br-Cl-K,4.0,ABC2_hR12_166_a_b_c:Br-Cl-K +mp-1223780,K5Br4Cl,-3.465623735,-2.1043592635,0.003796954,0.003796954,GGA,I4/m,A4BC5_tI20_87_h_a_bh:Br-Cl-K,10.0,"Invalid WP multiplicities - A4BC5_tI20_87_h_a_b2h:Br-Cl-K, expected K9Br4Cl to be K5Br4Cl" +mp-23067,K2PdCl6,-3.6069067556,-1.5522512373,0.0,-0.2099008156,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Pd,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Pd +mp-1223861,K2PdBr3Cl,-3.5688156457,-1.5819154523,0.0025530471,0.0025530471,GGA,Amm2,A3BC2D_oC14_38_ad_a_e_a:Br-Cl-K-Pd,7.0,A3BC2D_oC14_38_ad_a_e_a:Br-Cl-K-Pd +mp-27138,K2PdBr4,-3.4820163457,-1.537331628,0.0,-0.0323748871,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Br-K-Pd,7.0,A4B2C_tP7_123_j_e_a:Br-K-Pd +mp-1208634,SrLiCrF6,-6.2592447967,-3.5125406194,0.0,-0.0322009411,GGA+U,P-31c,AB6CD_hP18_163_c_i_d_b:Cr-F-Li-Sr,18.0,AB6CD_hP18_163_c_i_d_b:Cr-F-Li-Sr +mp-554332,SrCrF6,-6.0829824562,-3.2315556152,0.0,-0.0139405612,GGA+U,R-3m,AB6C_hR24_166_a_h_b:Cr-F-Sr,8.0,AB6C_hR24_166_a_h_b:Cr-F-Sr +mp-566608,SrCrF4,-6.5837732875,-3.4190304886,0.1263421992,0.1094816492,GGA+U,Ibam,AB4C_oI24_72_a_k_d:Cr-F-Sr,12.0,AB4C_oI24_72_a_k_d:Cr-F-Sr +mp-558281,SrCrF4,-6.7101154867,-3.5453726878,0.0,-0.01686055,GGA+U,I4/mcm,AB4C_tI24_140_d_l_a:Cr-F-Sr,12.0,AB4C_tI24_140_d_l_a:Cr-F-Sr +mp-557064,SrCrF4,-6.568267225,-3.4035244261,0.1418482617,0.1249877117,GGA+U,I4/mcm,AB4C_tI24_140_b_l_c:Cr-F-Sr,12.0,AB4C_tI24_140_b_l_c:Cr-F-Sr +mp-1209037,SrCrF5,-6.5305469009,-3.5448417922,0.0072831584,0.0072831584,GGA+U,I4,AB5C_tI112_79_2abc_2ab9c_2c:Cr-F-Sr,56.0,AB5C_tI112_79_2abc_2ab9c_2c:Cr-F-Sr +mp-1210197,Sr3CrF12,-5.1436601675,-2.7899554525,0.49462769,0.49462769,GGA+U,C2/m,AB12C3_mC32_12_a_3j_ce:Cr-F-Sr,16.0,"Invalid WP multiplicities - AB12C3_mC32_12_c_10j_be:Cr-F-Sr, expected Sr3CrF40 to be Sr3CrF12" +mp-1173206,Sr5Cr3F19,-6.3806171122,-3.6500722952,0.0532600998,0.0532600998,GGA+U,P1,A3B19C5_aP54_1_6a_38a_10a:Cr-F-Sr,54.0,A3B19C5_aP54_1_6a_38a_10a:Cr-F-Sr +mp-1173208,Sr5Cr3F19,-6.4282599965,-3.6977151795,0.0056172156,0.0056172156,GGA+U,P1,A3B19C5_aP54_1_6a_38a_10a:Cr-F-Sr,54.0,A3B19C5_aP54_1_6a_38a_10a:Cr-F-Sr +mp-1207124,TaHg3F6,-4.9094786720000005,-2.485709419,0.0,-0.0120365116,GGA,P-31m,A6B3C_hP10_162_k_ac_b:F-Hg-Ta,10.0,A6B3C_hP10_162_k_ac_b:F-Hg-Ta +mp-581413,Ta2Hg2F11,-6.1322286632,-3.1089496877,0.0,-0.0415032183,GGA,C2/c,A11B2C2_mC120_15_11f_2f_2f:F-Hg-Ta,60.0,"Invalid WP multiplicities - A11B2C2_mC120_15_40f_4f_6f:F-Hg-Ta, expected Ta3Hg2F20 to be Ta2Hg2F11" +mp-1113934,Rb2TaHgF6,-5.380037217,-2.8208972225,0.2143136201,0.2143136201,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ta +mp-675545,TaHg2F6,-5.2911003928,-2.6317657078,0.1212177121,0.1212177121,GGA,C2/c,A6B2C_mC36_15_2e2f_ac_e:F-Hg-Ta,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_3e6f_ac_e:F-Hg-Ta, expected TaHg2F15 to be TaHg2F6" +mp-1113098,Cs2GaHgF6,-4.290614519,-2.6314690253,0.0903470877,0.0903470877,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Hg,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Hg +mp-1218299,SrEu(PPt)2,-6.9542176317,-1.1349898139,0.0024640992,0.0024640992,GGA,P-3m1,AB2C2D_hP6_164_a_d_d_b:Eu-P-Pt-Sr,6.0,AB2C2D_hP6_164_a_d_d_b:Eu-P-Pt-Sr +mp-1187171,SrEuPt2,-6.81803589,-0.7958454167,0.0659615512,0.0659615512,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-Pt-Sr,4.0,AB2C_cF16_225_a_c_b:Eu-Pt-Sr +mp-1217967,SrPPt,-5.48434827,-1.09303851,0.0,-0.1790281266,GGA,P-6m2,ABC_hP3_187_a_c_f:P-Pt-Sr,3.0,ABC_hP3_187_a_c_f:P-Pt-Sr +mp-1194990,Sr(PPt3)2,-6.0956124869,-0.6575126662,0.0,-0.0768016586,GGA,Pa-3,A2B6C_cP36_205_c_d_a:P-Pt-Sr,36.0,A2B6C_cP36_205_c_d_a:P-Pt-Sr +mp-8507,Sr(P3Pt2)2,-6.1186602991,-0.8046746833,0.0,-0.0246283482,GGA,C2/c,A6B4C_mC44_15_3f_abf_e:P-Pt-Sr,22.0,"Invalid WP multiplicities - A6B4C_mC44_15_3f_cd2f_e:P-Pt-Sr, expected Sr(PPt)6 to be Sr(P3Pt2)2" +mp-675194,Te21(Mo3I11)2,-3.6380017612,-0.3013204527,0.294989928,0.294989928,GGA,P1,A22B6C21_aP49_1_22a_6a_21a:I-Mo-Te,49.0,A22B6C21_aP49_1_22a_6a_21a:I-Mo-Te +mp-645655,TeMo3Se7I6,-4.793541709,-0.7351984933,0.0,-0.0366393594,GGA,P2_1/c,A6B3C7D_mP68_14_6e_3e_7e_e:I-Mo-Se-Te,68.0,"Invalid WP multiplicities - A6B3C7D_mP68_14_20e_11e_25e_e:I-Mo-Se-Te, expected TeMo11(Se5I4)5 to be TeMo3Se7I6" +mp-1201330,Te6MoI3,-3.7118146771,-0.2992562251,0.1381573776,0.1381573776,GGA,P2_1/c,A3BC6_mP80_14_6e_2e_12e:I-Mo-Te,80.0,A3BC6_mP80_14_6e_2e_12e:I-Mo-Te +mp-505260,Te10Mo3I10,-4.031627012,-0.6097281962000001,0.0,-0.1378248741,GGA,P-1,A10B3C10_aP46_2_10i_3i_10i:I-Mo-Te,46.0,A10B3C10_aP46_2_10i_3i_10i:I-Mo-Te +mp-1112187,K2InAsCl6,-3.632857491,-1.5605754921,0.1380448368,0.1380448368,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-In-K +mp-1207126,Sr2GaOsO6,-7.145643553,-2.4141852903,0.0325431013,0.0325431013,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-O-Os-Sr +mp-31065,Sc2(SeO3)3,-7.0943739568,-2.2605974536,0.0,-0.0694757659,GGA,P6_3/m,A9B2C3_hP28_176_hi_f_h:O-Sc-Se,28.0,"Invalid WP multiplicities - A9B2C3_hP28_176_h2i_f_h:O-Sc-Se, expected Sc2(SeO5)3 to be Sc2(SeO3)3" +mp-1194798,Sc2Se3O10,-7.0066644872,-2.1653605035,0.0,-0.0029203379,GGA,P2_1/c,A10B2C3_mP60_14_10e_2e_3e:O-Sc-Se,60.0,A10B2C3_mP60_14_10e_2e_3e:O-Sc-Se +mp-1201602,Sc2Se3O10,-6.7920366857,-1.950732702,0.2146278015,0.2117074636,GGA,P2_12_12_1,A10B2C3_oP60_19_10a_2a_3a:O-Sc-Se,60.0,A10B2C3_oP60_19_10a_2a_3a:O-Sc-Se +mp-1193171,Sc(SeO3)3,-6.18752924,-1.4690367831,0.2389633968,0.2389633968,GGA,Cc,A9BC3_mC52_9_9a_a_3a:O-Sc-Se,26.0,A9BC3_mC52_9_9a_a_3a:O-Sc-Se +mp-11673,Sc2(SeO4)3,-6.8544715251,-2.0007693382,0.0,-0.0901571293,GGA,P2_1/c,A12B2C3_mP68_14_12e_2e_3e:O-Sc-Se,68.0,"Invalid WP multiplicities - A12B2C3_mP68_14_14e_2e_3e:O-Sc-Se, expected Sc2Se3O14 to be Sc2(SeO4)3" +mp-1194561,NaSc(SeO3)2,-6.5788831395,-2.1461881774,0.0,-0.0230972156,GGA,Pnma,AB6CD2_oP40_62_c_2c2d_c_2c:Na-O-Sc-Se,40.0,AB6CD2_oP40_62_c_2c2d_c_2c:Na-O-Sc-Se +mp-1219489,Sc(SeO5)2,-5.9307386723,-1.1006479667,0.3452550625,0.3452550625,GGA,P-1,A10BC2_aP13_2_5i_a_i:O-Sc-Se,13.0,"Invalid WP multiplicities - A10BC2_aP13_2_7i_a_i:O-Sc-Se, expected Sc(SeO7)2 to be Sc(SeO5)2" +mp-1111577,K2TlInCl6,-3.6036991,-1.7610646269,0.043160083,0.043160083,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Tl +mp-1016836,ZnOsO3,-6.425465258,-0.9600298233,0.5631337200000001,0.5631337200000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Zn,5.0,A3BC_cP5_221_c_b_a:O-Os-Zn +mp-1205691,Ba2ZnOsO6,-6.896495232,-2.2959759132,0.0,-0.0209777958,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Zn +mp-1201730,Er3Al2Ni6H7,-4.9531044386000005,-0.5295371894,0.0952592914,0.0952592914,GGA,Im-3m,A2B3C7D6_cI72_229_c_e_df_h:Al-Er-H-Ni,36.0,A2B3C7D6_cI72_229_c_e_df_h:Al-Er-H-Ni +mp-7974,RbSmO2,-6.851428395,-2.9533039875,0.0,-0.1140094086,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Sm,4.0,A2BC_hR12_166_c_a_b:O-Rb-Sm +mp-1209322,RbSm(SeO4)2,-6.3660382131,-2.0106671421,0.0,-0.1282223854,GGA,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-Se-Sm,48.0,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-Se-Sm +mp-975207,RbSmO3,-6.306784188,-2.1989469198,0.2710694911,0.2710694911,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Sm,5.0,A3BC_cP5_221_c_a_b:O-Rb-Sm +mp-4103,Sr2Sb2O7,-6.77720649,-2.5714055477,0.0,-0.0584544173,GGA,Imma,A7B2C2_oI44_74_ehj_ac_bd:O-Sb-Sr,22.0,A7B2C2_oI44_74_ehj_ac_bd:O-Sb-Sr +mp-1197996,Sr5(Sb11O19)2,-6.4645475342,-2.0451680639,0.0,-0.0328339004,GGA,P2_1/c,A38B22C5_mP130_14_19e_11e_a2e:O-Sb-Sr,130.0,A38B22C5_mP130_14_19e_11e_a2e:O-Sb-Sr +mp-755293,Sr4Sb2O,-4.57843015,-1.7266208636,0.0,-0.0839752547,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:O-Sb-Sr,7.0,"Invalid WP multiplicities - AB2C4_tI14_139_a_e_c2e:O-Sb-Sr, expected Sr6Sb2O to be Sr4Sb2O" +mp-1207576,YbSbO4,-6.5083379687,-2.2657772412,0.0684021788,-0.0218343485,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-Sb-Yb,,A4BC_aP24_2_8i_2i_2i:O-Sb-Yb +mp-1237084,YbSbO4,-6.5767401475,-2.33417942,0.0,-0.0902365272,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Sb-Yb,,"Invalid WP multiplicities - A4BC_mP24_14_5e_e_e:O-Sb-Yb, expected YbSbO5 to be YbSbO4" +mp-675680,Sr(SbO3)2,-6.6451394983,-2.2420696982,0.145375685,-0.0050936056,GGA,C2/c,A6B2C_mC72_15_6f_abce_f:O-Sb-Sr,36.0,"Invalid WP multiplicities - A6B2C_mC72_15_22f_2a2c2d2e_f:O-Sb-Sr, expected Sr(Sb2O11)2 to be Sr(SbO3)2" +mp-9126,Sr(SbO3)2,-6.7905151833,-2.3874453832,0.0,-0.1504692906,GGA,P-31m,A6B2C_hP9_162_k_c_b:O-Sb-Sr,9.0,A6B2C_hP9_162_k_c_b:O-Sb-Sr +mp-22019,Yb3Sb5O12,-6.6284590283,-2.3972542495,0.0,-0.0427714222,GGA,Im-3m,A12B5C3_cI80_229_k_ce_d:O-Sb-Yb,,"Invalid WP multiplicities - A12B5C3_cI80_229_k_3c3e_d:O-Sb-Yb, expected YbSb5O4 to be Yb3Sb5O12" +mp-753192,Yb4Sb2O,-4.6347662986,-1.8686056827,0.0,-0.0812496881,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:O-Sb-Yb,,"Invalid WP multiplicities - AB2C4_tI14_139_a_e_2ce:O-Sb-Yb, expected Yb6Sb2O to be Yb4Sb2O" +mp-1207581,Yb3SbO7,-6.5259554986,-2.582805766,0.0105099701,0.0105099701,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Sb-Yb,,A7BC3_oC44_20_3b2c_a_ac:O-Sb-Yb +mp-1187192,SrSbO3,-6.508668766,-2.3769566006,0.1320984408,0.1320984408,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sb-Sr,5.0,A3BC_cP5_221_c_b_a:O-Sb-Sr +mp-1105237,Sr2YbSbO6,-6.688073693,-2.8153008236,0.0,-0.036239413,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Sb-Sr-Yb,,A6BC2D_mP20_14_3e_a_e_b:O-Sb-Sr-Yb +mp-541979,Bi9Rh2I3,-4.1878901925,-0.3512389811,0.0119180194,0.0119180194,GGA,P2_1/m,A9B3C2_mP28_11_3e3f_ef_f:Bi-I-Rh,28.0,A9B3C2_mP28_11_3e3f_ef_f:Bi-I-Rh +mp-1105123,Si2Bi2Rh3,-5.980962315,-0.1774568964,0.4010184936,0.4010184936,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Rh-Si,14.0,A2B3C2_mC28_12_2i_ehi_j:Bi-Rh-Si +mp-568271,Si2Bi14RhI12,-3.4244107945,-0.33261121,0.178662949,0.178662949,GGA,P4/mcc,A14B12CD2_tP58_124_gmn_mn_b_h:Bi-I-Rh-Si,58.0,"Invalid WP multiplicities - A14B12CD2_tP58_124_4g8m9n_7m6n_b_h:Bi-I-Rh-Si, expected Si2Bi112RhI76 to be Si2Bi14RhI12" +mp-1220193,NdGaSb2,-4.7639434413,-0.7503819575,0.0150366812,0.0150366812,GGA,I-42d,ABC2_tI32_122_d_c_abc:Ga-Nd-Sb,16.0,ABC2_tI32_122_d_c_abc:Ga-Nd-Sb +mp-1195907,Nd4GaSbS9,-6.070054418,-1.8395386984,0.0,-0.012101596,GGA,Aea2,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Nd-S-Sb,60.0,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Nd-S-Sb +mp-1220718,Nd9Ga5S21,-6.0042644711,-1.8637143509,0.0,-0.0014628932,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-Nd-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-Nd-S, expected Nd24Ga5S51 to be Nd9Ga5S21" +mp-1195765,Nd8Sb2S15,-6.3373518116,-1.9993546139,0.0,-0.0002335003,GGA,I4_1cd,A8B15C2_tI200_110_4b_a7b_b:Nd-S-Sb,100.0,A8B15C2_tI200_110_4b_a7b_b:Nd-S-Sb +mp-1173568,Sm6MnS10,-6.7751554631,-2.1376242413,0.0455567159,0.0455567159,GGA,P1,AB10C6_aP68_1_4a_40a_24a:Mn-S-Sm,68.0,AB10C6_aP68_1_4a_40a_24a:Mn-S-Sm +mp-1246440,SmMgMnS4,-6.0869386086,-1.5116984736,0.1182921141,0.1182921141,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mn-S-Sm,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mn-S-Sm, expected SmMgMnS12 to be SmMgMnS4" +mp-1247273,Sm3Mg2MnS8,-6.0499234007,-1.7920710627,0.1080383687,0.1080383687,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mn-S-Sm,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mn-S-Sm, expected Sm3Mg2MnS22 to be Sm3Mg2MnS8" +mp-1246893,SmMg2Mn3S8,-6.1526494007,-1.2600214688,0.0998502753,0.0998502753,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-Sm,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-Sm, expected SmMg2Mn3S16 to be SmMg2Mn3S8" +mp-1209414,Sm4MnS7,-6.7527655163,-2.0034731079,0.1029923013,0.1029923013,GGA,P6_3,AB7C4_hP24_173_a_b2c_bc:Mn-S-Sm,24.0,AB7C4_hP24_173_a_b2c_bc:Mn-S-Sm +mp-1226278,CrSb3Pb4O13,-6.693278574,-1.8743455876,0.0,-0.0204162075,GGA+U,R3m,AB13C4D3_hR63_160_a_a4b_ab_b:Cr-O-Pb-Sb,42.0,AB13C4D3_hR63_160_a_a4b_ab_b:Cr-O-Pb-Sb +mp-1203539,GdSbMo2O9,-8.8601936335,-2.366607318,0.0150252764,0.0150252764,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:Gd-Mo-O-Sb,52.0,AB2C9D_mC104_15_2e_2f_9f_f:Gd-Mo-O-Sb +mp-1374432,MgNiAsO5,-6.3594496466,-1.7628273102,0.1395801707,0.1395801707,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Mg-Ni-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Mg-Ni-O +mp-1042817,MgNiAs2O7,-6.5826374302,-1.9166852012,0.0100511037,0.0100511037,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Mg-Ni-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Mg-Ni-O +mp-1041507,Mg3Ni3(AsO4)4,-6.5377765581,-1.9252864354,0.0710678978,0.0710678978,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Mg-Ni-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Mg-Ni-O, expected Mg3Ni3(As5O29)2 to be Mg3Ni3(AsO4)4" +mp-1232310,CsNiO2,-5.1805557987,-1.0383266801,0.1866075925,0.1866075925,GGA+U,Fd-3m,ABC2_cF32_227_b_a_c:Cs-Ni-O,8.0,ABC2_cF32_227_b_a_c:Cs-Ni-O +mp-754136,CsLi7(NiO3)2,-5.1298133231,-1.661171569,0.1160069966,0.1160069966,GGA+U,C2/m,AB7C2D6_mC32_12_a_d3i_i_3i:Cs-Li-Ni-O,16.0,"Invalid WP multiplicities - AB7C2D6_mC32_12_a_c5i_i_5i:Cs-Li-Ni-O, expected CsLi11(NiO5)2 to be CsLi7(NiO3)2" +mp-755100,Cs2NiO2,-4.743848403,-1.2509846337,0.0,-0.05006359,GGA+U,I4/mmm,A2BC2_tI10_139_e_a_e:Cs-Ni-O,10.0,A2BC2_tI10_139_e_a_e:Cs-Ni-O +mp-1246474,ZrCrAgS4,-6.3647108007,-0.9962674335,0.2138597602,0.2138597602,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr +mp-1246696,ZrCrAgS4,-6.3809782402,-1.0125348729,0.1975923208,0.1975923208,GGA,P1,ABC4D_aP56_1_8a_8a_32a_8a:Ag-Cr-S-Zr,56.0,ABC4D_aP56_1_8a_8a_32a_8a:Ag-Cr-S-Zr +mp-1246709,ZrCrAgS4,-6.3505839861,-0.9821406188,0.2279865749,0.2279865749,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr +mp-1247411,ZrCrAgS4,-6.5321046911,-1.1636613238,0.0464658699,0.0464658699,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Zr +mp-1112836,Cs2LiMoI6,-3.504424783,-1.1658672009,0.0858837377,0.0858837377,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Mo,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Mo +mp-1033197,HfMg6GaO8,-6.5105330825,-2.6255033923,0.4189004391,0.4189004391,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ga-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ga-Hf-Mg-O, expected HfMg6GaO12 to be HfMg6GaO8" +mp-1033203,HfMg6GaO8,-6.5203762069,-2.6353465167,0.4090573147,0.4090573147,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ga-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ga-Hf-Mg-O, expected HfMg6GaO12 to be HfMg6GaO8" +mp-1033706,HfMg14GaO16,-6.4135849434,-2.834327908,0.2148941573,0.2148941573,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ga-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ga-Hf-Mg-O, expected HfMg18GaO20 to be HfMg14GaO16" +mp-1033655,HfMg14GaO16,-6.4128114081,-2.8335543727,0.2156676927,0.2156676927,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ga-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ga-Hf-Mg-O, expected HfMg30GaO32 to be HfMg14GaO16" +mp-1026417,HfMg14Ga,-2.2019194456,0.0099059139,0.094337906,0.094337906,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ga-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ga-Hf-Mg, expected HfMg18Ga to be HfMg14Ga" +mp-1026405,HfMg14Ga,-2.1927581444,0.0190672152,0.1034992072,0.1034992072,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ga-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ga-Hf-Mg, expected HfMg26Ga to be HfMg14Ga" +mp-1038446,HfMg30GaO32,-6.3696870519,-2.9433163439000003,0.1083148385,0.1083148385,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ga-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ga-Hf-Mg-O, expected HfMg110GaO72 to be HfMg30GaO32" +mp-1038444,HfMg30GaO32,-6.370225225,-2.943854517,0.1077766654,0.1077766654,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ga-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ga-Hf-Mg-O, expected HfMg90GaO80 to be HfMg30GaO32" +mp-1017101,HfMg6Ga,-2.7991668419,0.0242038272,0.1689601257,0.1689601257,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ga-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ga-Hf-Mg, expected HfMg12Ga to be HfMg6Ga" +mp-1017110,HfMg6Ga,-2.8005967762,0.0227738928,0.1675301913,0.1675301913,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ga-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ga-Hf-Mg, expected HfMg12Ga to be HfMg6Ga" +mp-1022074,HfMg6Cu,-2.8375091269,0.1197503731,0.1839185359,0.1839185359,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-Hf-Mg, expected HfMg12Cu to be HfMg6Cu" +mp-1022075,HfMg6Cu,-2.8517869381,0.1054725619,0.1696407247,0.1696407247,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-Hf-Mg, expected HfMg12Cu to be HfMg6Cu" +mp-1035299,HfMg14CuO16,-6.4911604044,-2.8784311612,0.1707909041,0.1707909041,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cu-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cu-Hf-Mg-O, expected HfMg18CuO20 to be HfMg14CuO16" +mp-1035267,HfMg14CuO16,-6.4879354731,-2.87520623,0.1740158354,0.1740158354,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cu-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cu-Hf-Mg-O, expected HfMg30CuO32 to be HfMg14CuO16" +mp-1026900,HfMg14Cu,-2.2200209925,0.0587487825,0.1003641291,0.1003641291,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-Hf-Mg, expected HfMg18Cu to be HfMg14Cu" +mp-1026896,HfMg14Cu,-2.2192926812,0.0594770938,0.1010924404,0.1010924404,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-Hf-Mg, expected HfMg26Cu to be HfMg14Cu" +mp-1032239,HfMg6CuO8,-6.6797519487,-2.7277778431,0.3166259883,0.3166259883,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cu-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cu-Hf-Mg-O, expected HfMg6CuO12 to be HfMg6CuO8" +mp-1032264,HfMg6CuO8,-6.6634965812,-2.7115224756,0.3328813558,0.3328813558,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cu-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cu-Hf-Mg-O, expected HfMg6CuO12 to be HfMg6CuO8" +mp-1097507,HfMgCu2,-2.6133636025,2.3256070025,2.4814147006,2.4814147006,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Hf-Mg,4.0,A2BC_oI8_71_e_a_b:Cu-Hf-Mg +mp-1037139,HfMg30CuO32,-6.4068860598,-2.963779248,0.0878519344,0.0878519344,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cu-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cu-Hf-Mg-O, expected HfMg90CuO80 to be HfMg30CuO32" +mp-1037138,HfMg30CuO32,-6.4056568786,-2.9625500667,0.0890811157,0.0890811157,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cu-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cu-Hf-Mg-O, expected HfMg110CuO72 to be HfMg30CuO32" +mp-1078291,LaCo2AsN,-7.2307692,-0.801117995,0.0,-0.074213785,GGA,Cmcm,AB2CD_oC20_63_c_f_c_a:As-Co-La-N,10.0,AB2CD_oC20_63_c_f_c_a:As-Co-La-N +mp-989643,LaCoN3,-8.192654316,-0.781892381,0.0,-0.151831304,GGA,C2/m,ABC3_mC20_12_i_i_3i:Co-La-N,10.0,"Invalid WP multiplicities - ABC3_mC20_12_i_i_5i:Co-La-N, expected LaCoN5 to be LaCoN3" +mp-558356,Na2CrNiF7,-5.7299567973,-2.8700852055,0.0,-0.0048042243,GGA+U,Imma,AB7C2D_oI44_74_a_ehj_bc_d:Cr-F-Na-Ni,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_2e3h3j_bc_d:Cr-F-Na-Ni, expected Na2CrNiF20 to be Na2CrNiF7" +mp-16356,TiNiGe,-6.7757487442,-0.6761965603,0.0,-0.1153633222,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ni-Ti,12.0,ABC_oP12_62_c_c_c:Ge-Ni-Ti +mp-961694,TiNiGe,-6.1120443633,-0.0124921794,0.6637043808,0.5483410586,GGA,F-43m,ABC_cF12_216_a_b_c:Ge-Ni-Ti,3.0,ABC_cF12_216_a_b_c:Ge-Ni-Ti +mp-1193680,Ti4Ni4Ge7,-6.3172041633,-0.5129568452000001,0.028000403,0.028000403,GGA,I4/mmm,A7B4C4_tI60_139_ehij_k_hi:Ge-Ni-Ti,30.0,A7B4C4_tI60_139_ehij_k_hi:Ge-Ni-Ti +mp-1216682,TiNi4GeO8,-7.3138024671,-1.9414755899,0.0,-0.0082083775,GGA+U,F-43m,AB4C8D_cF56_216_a_e_2e_c:Ge-Ni-O-Ti,14.0,AB4C8D_cF56_216_a_e_2e_c:Ge-Ni-O-Ti +mp-582759,Ti6Ni16Ge7,-6.4299791193,-0.4914848447,0.0195297865,0.0195297865,GGA,Fm-3m,A7B16C6_cF116_225_ad_2f_e:Ge-Ni-Ti,29.0,"Invalid WP multiplicities - A7B16C6_cF116_225_a2d_10f_e:Ge-Ni-Ti, expected Ti6Ni80Ge13 to be Ti6Ni16Ge7" +mp-1191985,BaNdCuS3,-5.7597908117,-1.8938443711,0.0,-0.0315699554,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-Nd-S,24.0,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-Nd-S +mp-1200427,Tm2Re3Si5,-7.8884303977,-0.5472461426,0.0,-0.0563330407,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Re-Si-Tm,40.0,A3B5C2_tP40_128_dh_egh_h:Re-Si-Tm +mp-1105554,Tm2ReC2,-8.4313877555,-0.4606819522,0.0,-0.0722628886,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Re-Tm,20.0,A2BC2_oP20_62_2c_c_2c:C-Re-Tm +mp-1207951,Tm5Re2C7,-8.409531405,-0.4188964097,0.0,-0.0283061891,GGA,Cmmm,A7B2C5_oC28_65_aehi_g_bq:C-Re-Tm,14.0,A7B2C5_oC28_65_aehi_g_bq:C-Re-Tm +mp-1205618,TmRe2SiC,-9.249040912,-0.4452662488,0.0,-0.0811757243,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Tm,10.0,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Tm +mp-1031642,Mg6CdNiO8,-6.0244996256,-2.5321110988,0.0868980631,0.0868980631,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cd-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cd-Mg-Ni-O, expected Mg6CdNiO12 to be Mg6CdNiO8" +mp-1031652,Mg6CdNiO8,-6.0287123,-2.5363237731,0.0826853887,0.0826853887,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cd-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cd-Mg-Ni-O, expected Mg6CdNiO12 to be Mg6CdNiO8" +mp-1021760,Mg6CdNi,-2.038258115,-0.0001697725,0.1096124308,0.1096124308,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Ni, expected Mg12CdNi to be Mg6CdNi" +mp-1021772,Mg6CdNi,-2.0392884369,-0.0012000944,0.108582109,0.108582109,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Ni, expected Mg12CdNi to be Mg6CdNi" +mp-1028350,Mg14CdNi,-1.8115966338,0.0075875625,0.0762854558,0.0762854558,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Ni, expected Mg18CdNi to be Mg14CdNi" +mp-1028331,Mg14CdNi,-1.8173794319,0.0018047644,0.0705026577,0.0705026577,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Ni, expected Mg26CdNi to be Mg14CdNi" +mp-2232399,MgCd2(NiO2)4,-5.6602203133,-1.250879248,0.1736826777,0.1736826777,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Cd-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_8_2a_a_2ab_4a4b:Cd-Mg-Ni-O, expected MgCd2(NiO3)4 to be MgCd2(NiO2)4" +mp-2232322,MgCd2(NiO2)4,-5.5850479647,-1.1757068993,0.2488550263,0.2488550263,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Cd-Mg-Ni-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Cd-Mg-Ni-O +mp-2232232,MgCd2(NiO2)4,-5.4807437367,-1.0714026713,0.3531592543,0.3531592543,GGA+U,I-4m2,A2BC4D8_tI30_119_ac_b_i_2i:Cd-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_tI30_119_ac_b_i_6i:Cd-Mg-Ni-O, expected MgCd2(NiO6)4 to be MgCd2(NiO2)4" +mp-1226706,CdNiO2,-5.26064802,-1.1115470544,0.1804875238,0.1804875238,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Ni-O,4.0,ABC2_tP4_123_a_d_bc:Cd-Ni-O +mp-756341,Cd(NiO2)2,-5.6947096579,-1.0847213771,0.0036960312,0.0036960312,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Cd-Ni-O,14.0,AB2C4_tI28_141_a_d_h:Cd-Ni-O +mp-1036825,Mg30CdNiO32,-6.2602825472,-2.93207213,0.013210385,0.013210385,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cd-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cd-Mg-Ni-O, expected Mg110CdNiO72 to be Mg30CdNiO32" +mp-1036840,Mg30CdNiO32,-6.2599262327,-2.9317158155,0.0135666995,0.0135666995,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cd-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cd-Mg-Ni-O, expected Mg90CdNiO80 to be Mg30CdNiO32" +mp-1034792,Mg14CdNiO16,-6.1813229131,-2.7983864594,0.0381382713,0.0381382713,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cd-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cd-Mg-Ni-O, expected Mg18CdNiO20 to be Mg14CdNiO16" +mp-1034717,Mg14CdNiO16,-6.1815945759,-2.7986581222,0.0378666084,0.0378666084,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cd-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cd-Mg-Ni-O, expected Mg30CdNiO32 to be Mg14CdNiO16" +mp-1047331,Nb2Zn2TeO8,-7.2798545277,-2.2460919982,0.1226778951,0.1226778951,GGA,P-1,A2B8CD2_aP26_2_2i_8i_i_2i:Nb-O-Te-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_aP26_2_4i_16i_i_4i:Nb-O-Te-Zn, expected Nb4Zn4TeO16 to be Nb2Zn2TeO8" +mp-18575,Nb2Zn3O8,-7.3319795204,-2.4431063973,0.0228053983,0.0228053983,GGA,C2/c,A2B8C3_mC52_15_f_4f_ef:Nb-O-Zn,26.0,"Invalid WP multiplicities - A2B8C3_mC52_15_f_5f_ef:Nb-O-Zn, expected Nb2Zn3O10 to be Nb2Zn3O8" +mp-1220470,Nb6ZnTe8,-6.406077022,-0.6051422889,0.0643628383,0.0643628383,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-Te-Zn,15.0,A6B8C_hP15_147_g_dg_a:Nb-Te-Zn +mp-17177,Nb2ZnO6,-8.4481331403,-2.7656347006,0.0,-0.0068714883,GGA,Pbcn,A2B6C_oP36_60_d_3d_c:Nb-O-Zn,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_d_4d_c:Nb-O-Zn, expected Nb2ZnO8 to be Nb2ZnO6" +mp-17808,Nb2Zn4O9,-6.979426908,-2.3286413799,0.0473535442,0.0473535442,GGA,P-3c1,A2B9C4_hP30_165_c_fg_2d:Nb-O-Zn,30.0,A2B9C4_hP30_165_c_fg_2d:Nb-O-Zn +mp-1211321,La3Re(ClO2)3,-7.9418631,-3.1358407348,0.0172659696,0.0172659696,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-Re,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-Re +mp-726900,Cs2TlCl5O,-3.2681450067,-1.2300539064,0.3993888942,0.3993888942,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-O-Tl,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-O-Tl +mp-1226043,CsFeCoF6,-5.7904258144,-2.6856907942,0.0,-0.01844103,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Co-Cs-F-Fe,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Co-Cs-F-Fe, expected CsFeCoF12 to be CsFeCoF6" +mp-756281,TmAlO3,-8.3903364235,-3.7780409461,0.0190793842,0.0190793842,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Tm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Al-O-Tm, expected TmAlO7 to be TmAlO3" +mp-1101265,TmAlO3,-8.33311484,-3.7208193626,0.0763009677,0.0763009677,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Al-O-Tm,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_b2f_a:Al-O-Tm, expected TmAlO5 to be TmAlO3" +mp-1207696,TmScO3,-9.1118436155,-3.9821694831,0.0493298766,0.0493298766,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sc-Tm,20.0,A3BC_oP20_62_cd_a_c:O-Sc-Tm +mp-1187557,TmScO3,-8.53251846,-3.4028443276,0.6286550321000001,0.6286550321000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sc-Tm,5.0,A3BC_cP5_221_c_b_a:O-Sc-Tm +mp-1207916,Tm3Sc2Al3O12,-8.6708657433,-3.836393918,0.003820334,0.003820334,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Tm,80.0,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Tm +mp-1208108,Tm4Al2O9,-8.5285053477,-3.8675258974,0.028388557,0.028388557,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Tm,60.0,A2B9C4_mP60_14_2e_9e_4e:Al-O-Tm +mp-1208102,Tm3Al5O12,-8.298807235,-3.7230247372,0.0,-0.0326654316,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Al-O-Tm,80.0,A5B12C3_cI160_230_ad_h_c:Al-O-Tm +mp-16084,Pr3Co29(Si2B5)2,-7.1005621949,-0.3836247351,0.0,-0.0051165678,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Pr-Si,92.0,"Invalid WP multiplicities - A10B29C3D4_tP92_129_2ci2j_c9i2j5k_ae_i:B-Co-Pr-Si, expected Pr3Co85(Si2B7)2 to be Pr3Co29(Si2B5)2" +mp-1173646,Nd8Re11O38,-8.9942837978,-2.6257022272,0.0514068134,0.0514068134,GGA,P1,A8B38C11_aP114_1_16a_76a_22a:Nd-O-Re,114.0,A8B38C11_aP114_1_16a_76a_22a:Nd-O-Re +mp-1214644,Ba2NdReO6,-8.023232474,-2.9501567975,0.013049141,0.013049141,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Nd-O-Re,20.0,A2BC6D_mP20_14_e_a_3e_d:Ba-Nd-O-Re +mp-1205556,Ba2NdReO6,-8.024804952,-2.9517292755,0.011476663,0.011476663,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Re +mp-17451,Nd3ReO7,-8.8195866873,-3.2399693726,0.0506346287,0.0506346287,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Nd-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_cg2h_b:Nd-O-Re, expected Nd5ReO11 to be Nd3ReO7" +mp-1210151,Nd3Re2O9,-8.9987514964,-3.0192018487,0.0,-0.0015132193,GGA,P-1,A3B9C2_aP28_2_3i_9i_2i:Nd-O-Re,28.0,A3B9C2_aP28_2_3i_9i_2i:Nd-O-Re +mp-13758,Nd4Re2O11,-8.9327620215,-3.1459843789,0.0,-0.0408268814,GGA,P4_2/n,A4B11C2_tP68_86_2g_ab5g_g:Nd-O-Re,68.0,"Invalid WP multiplicities - A4B11C2_tP68_86_2g_ab9g_g:Nd-O-Re, expected Nd4Re2O19 to be Nd4Re2O11" +mp-1186326,NdReO3,-8.621295616,-2.2107474658,0.6071742597,0.6071742597,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Nd-O-Re,5.0,AB3C_cP5_221_a_c_b:Nd-O-Re +mp-1209945,Nd4Re6O19,-9.0918964752,-2.6185572216,0.0123947666,0.0123947666,GGA,I23,A4B19C6_cI58_197_c_adf_e:Nd-O-Re,29.0,A4B19C6_cI58_197_c_adf_e:Nd-O-Re +mp-1226567,Co2(GeS)3,-5.41551997,-0.3536363755,0.2558003122,0.1379121094,GGA,C2/m,A2B3C3_mC32_12_ef_ij_ij:Co-Ge-S,16.0,"Invalid WP multiplicities - A2B3C3_mC32_12_2e2f_ij_ij:Co-Ge-S, expected Co4(GeS)3 to be Co2(GeS)3" +mp-2956,Co2(GeS)3,-5.6713202822,-0.6094366877,0.0,-0.1178882028,GGA,R-3,A2B3C3_hR96_148_cf_2f_2f:Co-Ge-S,32.0,"Invalid WP multiplicities - A2B3C3_hR96_148_2c2f_6f_7f:Co-Ge-S, expected Co8(Ge6S7)3 to be Co2(GeS)3" +mp-6498,CoCu2GeS4,-5.1152924137,-0.5558476066,0.0552766027,0.0552766027,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Co-Cu-Ge-S,8.0,AB2CD4_tI16_121_a_d_b_i:Co-Cu-Ge-S +mp-1219368,Sm9In(SiS7)3,-6.2759507487,-1.9124107416,0.0,-0.0144158365,GGA,R3,AB21C3D9_hR204_146_2a_14b_2b_6b:In-S-Si-Sm,68.0,"Invalid WP multiplicities - AB21C3D9_hR204_146_2a_34b_2b_16b:In-S-Si-Sm, expected Sm24In(SiS17)3 to be Sm9In(SiS7)3" +mp-1196485,Sm3InS6,-6.1631160125,-1.9905018789,0.0015541747,-0.0063254012,GGA,P2_12_12,AB6C3_oP40_18_ab_6c_3c:In-S-Sm,40.0,AB6C3_oP40_18_ab_6c_3c:In-S-Sm +mp-21604,Sm3InS6,-6.1646701873,-1.9920560536,0.0,-0.0078795759,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:In-S-Sm,40.0,AB6C3_oP40_58_ac_6g_3g:In-S-Sm +mp-560593,Dy3Si2Cl5O6,-7.2063241666,-3.2317109073,0.0052701056,0.0052701056,GGA,C2/m,A5B3C6D2_mC64_12_3ij_ej_gi2j_j:Cl-Dy-O-Si,32.0,"Invalid WP multiplicities - A5B3C6D2_mC64_12_5ij_ej_h2i5j_j:Cl-Dy-O-Si, expected Dy3Si2Cl7O13 to be Dy3Si2Cl5O6" +mp-16483,BaAl9Fe2,-4.6974642925,-0.31669764,0.0,-0.0145327587,GGA,P6/mmm,A9BC2_hP12_191_fm_a_c:Al-Ba-Fe,12.0,A9BC2_hP12_191_fm_a_c:Al-Ba-Fe +mp-1044845,Ba2AlFe2F11,-6.346573145,-3.4997083467,0.0272593634,0.0272593634,GGA+U,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-Fe,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-Fe, expected Ba5AlFe5F31 to be Ba2AlFe2F11" +mp-558619,Li2Ti6PbO14,-8.6040167836,-3.2058825722,0.0,-0.0056871227,GGA,Cmce,A2B14CD6_oC184_64_g_2d2f5g_f_de2g:Li-O-Pb-Ti,92.0,"Invalid WP multiplicities - A2B14CD6_oC184_64_g_8d7f36g_f_4d4e12g:Li-O-Pb-Ti, expected Li2Ti32PbO87 to be Li2Ti6PbO14" +mp-1217215,Ti4MnS8,-7.1797103285,-1.500050152,0.0322282782,0.0322282782,GGA,P-3m1,AB8C4_hP13_164_a_4d_2c:Mn-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_hP13_164_a_8d_2c:Mn-S-Ti, expected Ti4MnS16 to be Ti4MnS8" +mp-1247276,Mg2TiMn3S8,-6.3115588886000005,-1.192009108,0.0531854096,0.0531854096,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-Ti,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-Ti, expected Mg2TiMn3S16 to be Mg2TiMn3S8" +mp-1217196,Ti5MnS10,-7.1456261344,-1.5203777566,0.0273949801,0.0273949801,GGA,P-3m1,AB10C5_hP16_164_a_5d_b2c:Mn-S-Ti,16.0,"Invalid WP multiplicities - AB10C5_hP16_164_a_10d_b3c:Mn-S-Ti, expected Ti7MnS20 to be Ti5MnS10" +mp-1246327,Mg2Ti3MnS8,-6.4311131293,-1.4924952452,0.0628766525,0.0628766525,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mn-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mn-S-Ti, expected Mg2Ti3MnS22 to be Mg2Ti3MnS8" +mp-1246701,MgTiMnS4,-6.3810899471,-1.3520061148,0.0486300199,0.0486300199,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mn-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mn-S-Ti, expected MgTiMnS12 to be MgTiMnS4" +mp-1028110,Mg14TiMn,-2.3789413,0.0873979505,0.1346632235,0.1346632235,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Ti, expected Mg18TiMn to be Mg14TiMn" +mp-1028090,Mg14TiMn,-2.3656336294,0.1007056212,0.1479708941,0.1479708941,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Ti, expected Mg26TiMn to be Mg14TiMn" +mp-1022984,Mg6TiMn,-3.137870945,0.1945275061,0.2685423168,0.2685423168,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Ti, expected Mg12TiMn to be Mg6TiMn" +mp-1022997,Mg6TiMn,-3.1819033725,0.1504950786,0.2245098893,0.2245098893,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Ti, expected Mg12TiMn to be Mg6TiMn" +mp-686328,Ba6Fe14Cu11S27,-5.8380237226,-0.8919967165,0.0800992374,0.0800992374,GGA,P1,A6B11C14D27_aP58_1_6a_11a_14a_27a:Ba-Cu-Fe-S,58.0,A6B11C14D27_aP58_1_6a_11a_14a_27a:Ba-Cu-Fe-S +mp-554519,Gd4Ti(SeO)4,-10.5137189577,-2.9775357475,0.0,-0.0050995931,GGA,C2/m,A4B4C4D_mC26_12_2i_2i_2i_a:Gd-O-Se-Ti,13.0,"Invalid WP multiplicities - A4B4C4D_mC26_12_2i_3i_4i_a:Gd-O-Se-Ti, expected Gd4Ti(Se4O3)2 to be Gd4Ti(SeO)4" +mp-1111263,Li2MnCuF6,-5.300394982,-2.445600832,0.255158185,0.255158185,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Mn,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Mn +mp-1215217,ZrNbCr4,-9.5813955117,-0.03786292,0.0,-0.0069133667,GGA,F-43m,A4BC_cF24_216_e_a_c:Cr-Nb-Zr,6.0,A4BC_cF24_216_e_a_c:Cr-Nb-Zr +mp-28907,NbCrF6,-6.9644198338,-3.0615165444,0.0337922412,0.0337922412,GGA+U,I4/mmm,AB6C_tI16_139_a_eh_b:Cr-F-Nb,8.0,AB6C_tI16_139_a_eh_b:Cr-F-Nb +mp-2459069,ZrCrF6,-7.303861795,-3.5951590569,0.0,-0.0344247709,GGA+U,I4/mmm,AB6C_tI16_139_a_eh_b:Cr-F-Zr,8.0,"Invalid WP multiplicities - AB6C_tI16_139_a_e2h_b:Cr-F-Zr, expected ZrCrF10 to be ZrCrF6" +mp-555506,ZrCrF6,-7.2819397925,-3.5732370544,0.0219220025,-0.0125027684,GGA+U,Fm-3m,AB6C_cF32_225_a_e_b:Cr-F-Zr,8.0,AB6C_cF32_225_a_e_b:Cr-F-Zr +mp-690241,Zr2Cr2F3,-7.3601804143,-1.3407613996,0.817331856,0.817331856,GGA+U,Cm,A2B3C2_mC28_8_2ab_2a2b_2ab:Cr-F-Zr,14.0,"Invalid WP multiplicities - A2B3C2_mC28_8_2a2b_2a2b_2ab:Cr-F-Zr, expected Zr2Cr3F3 to be Zr2Cr2F3" +mp-1100804,Zr2Cr2F3,-7.4632901893,-1.4438711746,0.7142220810000001,0.7142220810000001,GGA+U,Cm,A2B3C2_mC28_8_2ab_2a2b_2ab:Cr-F-Zr,14.0,"Invalid WP multiplicities - A2B3C2_mC28_8_2a2b_2a2b_2ab:Cr-F-Zr, expected Zr2Cr3F3 to be Zr2Cr2F3" +mp-1100811,Zr2Cr2F3,-7.3272218879,-1.3078028732,0.8502903824,0.8502903824,GGA+U,Cm,A2B3C2_mC28_8_2ab_2a2b_2ab:Cr-F-Zr,,"Invalid WP multiplicities - A2B3C2_mC28_8_2a2b_2a2b_2ab:Cr-F-Zr, expected Zr2Cr3F3 to be Zr2Cr2F3" +mp-675378,Zr2Cr2F3,-7.2365872464,-1.2171682318,0.9409250238,0.9409250238,GGA+U,Cm,A2B3C2_mC28_8_2ab_2a2b_2ab:Cr-F-Zr,,"Invalid WP multiplicities - A2B3C2_mC28_8_2a2b_2a2b_2ab:Cr-F-Zr, expected Zr2Cr3F3 to be Zr2Cr2F3" +mp-1216109,Zr3NbCr4F24,-7.2228043312,-3.4655514553,0.0046450337,0.0046450337,GGA+U,Pm,A4B24CD3_mP32_6_2a2b_8a8b4c_a_a2b:Cr-F-Nb-Zr,32.0,"Invalid WP multiplicities - A4B24CD3_mP32_6_2a2b_8a8b8c_a_a2b:Cr-F-Nb-Zr, expected Zr3NbCr4F32 to be Zr3NbCr4F24" +mp-1220754,NaHf4(NCl)4,-8.2475385931,-1.9481995351,0.1918424888,0.1918424888,GGA,P2/m,A4B4C4D_mP13_10_mn_mn_mn_a:Cl-Hf-N-Na,13.0,"Invalid WP multiplicities - A4B4C4D_mP13_10_2m2n_2m2n_2m2n_a:Cl-Hf-N-Na, expected NaHf8(NCl)8 to be NaHf4(NCl)4" +mp-541911,HfNCl,-8.907878555,-2.1938050167,0.0,-0.1344511173,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-Hf-N,6.0,ABC_hR18_166_c_c_c:Cl-Hf-N +mp-1220753,NaHf6(NCl)6,-8.4307747926,-2.0004669514,0.1565528597,0.1565528597,GGA,C2/m,A6B6C6D_mC38_12_ij_ij_ij_a:Cl-Hf-N-Na,19.0,"Invalid WP multiplicities - A6B6C6D_mC38_12_2i3j_2ij_2ij_a:Cl-Hf-N-Na, expected NaHf8(NCl2)8 to be NaHf6(NCl)6" +mp-1029309,Na2HfN2,-6.749823434,-0.8947775406,0.0440646008,0.0440646008,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Hf-N-Na,5.0,AB2C2_hP5_164_a_d_d:Hf-N-Na +mp-1220797,NaHf8(NCl)8,-8.5091791952,-2.0107675867,0.1550806738,0.1550806738,GGA,P2/m,A8B8C8D_mP25_10_2m2n_2m2n_2m2n_a:Cl-Hf-N-Na,25.0,"Invalid WP multiplicities - A8B8C8D_mP25_10_4m4n_4m4n_4m4n_a:Cl-Hf-N-Na, expected NaHf16(NCl)16 to be NaHf8(NCl)8" +mp-1220765,NaHf3(NCl)3,-8.179352307,-2.0044335932,0.119479533,0.119479533,GGA,C2/m,A3B3C3D_mC40_12_ij_ij_ij_g:Cl-Hf-N-Na,20.0,"Invalid WP multiplicities - A3B3C3D_mC40_12_2i3j_2ij_2ij_g:Cl-Hf-N-Na, expected NaHf4(NCl2)4 to be NaHf3(NCl)3" +mp-505373,AsSeI,-3.6812625483,-0.4717971374,0.0,-0.0179497339,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-I-Se,12.0,ABC_mP12_14_e_e_e:As-I-Se +mp-570084,Hg3AsSe4I,-2.8018890178,-0.4655365999,0.0,-0.0036764296,GGA,P6_3mc,AB3CD4_hP18_186_a_c_b_bc:As-Hg-I-Se,18.0,"Invalid WP multiplicities - AB3CD4_hP18_186_a_c_b_2b3c:As-Hg-I-Se, expected Hg3AsSe11I to be Hg3AsSe4I" +mp-571404,Hg3(SeI)2,-2.0669068621,-0.5169644692,0.0053100368,-0.0072471478,GGA,C2/m,A3B2C2_mC56_12_2i2j_ab3i_2j:Hg-I-Se,28.0,"Invalid WP multiplicities - A3B2C2_mC56_12_4i8j_ab5i_4j:Hg-I-Se, expected Hg10Se4I3 to be Hg3(SeI)2" +mp-29955,Hg3(SeI)2,-2.0722168989,-0.522274506,0.0,-0.0125571846,GGA,Imma,A3B2C2_oI56_74_fhi_2ei_j:Hg-I-Se,28.0,A3B2C2_oI56_74_fhi_2ei_j:Hg-I-Se +mp-1112083,K2TaAgCl6,-4.404123435,-1.6038882863,0.2255477786,0.2255477786,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Ta +mp-1106096,Ba2YInTe5,-4.7245387656,-1.5275794111,0.0142360224,0.0142360224,GGA,Cmc2_1,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Te-Y,18.0,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Te-Y +mp-1111094,Na2CrAgF6,-5.222933615,-2.5629808285,0.1398315332,0.1398315332,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-Na +mp-1111876,Cs2KMoCl6,-4.419424273,-1.9356168969,0.0080059478,0.0080059478,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Mo +mp-10342,Tm6ReO12,-8.8770014437,-3.6843801668,0.0,-0.0029117217,GGA,R-3,A12BC6_hR57_148_2f_a_f:O-Re-Tm,19.0,A12BC6_hR57_148_2f_a_f:O-Re-Tm +mp-13934,Ba2TmReO6,-8.117312818,-3.0734683424,0.0,-0.0319763139,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Tm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Tm +mp-10094,Tm5(ReO6)2,-9.0084979063,-3.3964717999,0.0,-0.026317804,GGA,C2/m,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Tm,19.0,"Invalid WP multiplicities - A12B2C5_mC38_12_2i3j_h_a2i:O-Re-Tm, expected Tm5(ReO8)2 to be Tm5(ReO6)2" +mp-1218040,SrNdScO4,-8.2733432007,-3.619505367,0.0435790268,0.0435790268,GGA,Cmc2_1,AB4CD_oC28_36_a_2ab_a_a:Nd-O-Sc-Sr,14.0,"Invalid WP multiplicities - AB4CD_oC28_36_a_4ab_a_a:Nd-O-Sc-Sr, expected SrNdScO6 to be SrNdScO4" +mp-1198101,BaNd2Sc2O7,-8.6517723573,-3.7561866078,0.0,-0.027504459,GGA,P4_2/mnm,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Nd-O-Sc,48.0,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-Nd-O-Sc +mp-568725,Dy(FeB)2,-7.420211318,-0.4390887577,0.0,-0.0412149402,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:B-Dy-Fe,5.0,A2BC2_tI10_139_e_a_d:B-Dy-Fe +mp-1198402,Th2Fe14B,-8.3415288409,-0.1010932402,0.0,-0.0086031759,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Th,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Th +mp-1192098,Dy3FeB7,-6.8707149759,-0.5937946008,0.0,-0.0285134827,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Dy-Fe,22.0,A7B3C_oC44_63_c3f_cf_c:B-Dy-Fe +mp-1105065,Dy4(FeB2)3,-6.8468272185,-0.3919378635,0.0703832935,0.0703832935,GGA,R-3m,A6B4C3_hR39_166_f_2c_bc:B-Dy-Fe,13.0,A6B4C3_hR39_166_f_2c_bc:B-Dy-Fe +mp-1191987,DyFeB4,-7.2477427375,-0.6153468819,0.0,-0.0799666015,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Fe,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Fe +mp-4023,Dy2Fe14B,-8.0191194294,-0.1089275241,0.0,-0.0198895441,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:B-Dy-Fe,68.0,AB2C14_tP68_136_f_fg_ce2j2k:B-Dy-Fe +mp-1226066,DyThFe14B,-8.182785689,-0.107471936,0.0,-0.0024615538,GGA,P4_2/mnm,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Th,68.0,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Th +mp-21902,Th2FeB10,-7.5408825996,-0.6107552597,0.0,-0.0622405158,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Fe-Th,26.0,"Invalid WP multiplicities - A10BC2_oP26_55_4gi_a_h:B-Fe-Th, expected Th2FeB12 to be Th2FeB10" +mp-1225766,DyThFe6,-7.9307500375,-0.0756534937,0.0,-0.0078877412,GGA,R3m,AB6C_hR72_160_3a_6a4b_3a:Dy-Fe-Th,24.0,"Invalid WP multiplicities - AB6C_hR72_160_3a_6a12b_3a:Dy-Fe-Th, expected DyThFe14 to be DyThFe6" +mp-19851,KInTe2,-3.44576527,-0.9085916541,0.0,-0.1185727296,GGA,I4/mcm,ABC2_tI16_140_b_a_h:In-K-Te,8.0,ABC2_tI16_140_b_a_h:In-K-Te +mp-568916,K6InTe4Cl,-3.2924899508,-1.3061701471,0.0,-0.0445882467,GGA,P6_3mc,ABC6D4_hP24_186_a_b_2c_bc:Cl-In-K-Te,24.0,"Invalid WP multiplicities - ABC6D4_hP24_186_a_b_6c_2b3c:Cl-In-K-Te, expected K18InTe11Cl to be K6InTe4Cl" +mp-569149,K2TeCl6,-3.4746766067,-1.6463073014,0.0,-0.0315423318,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Te,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Te +mp-683427,Ba2Ca(PdO2)3,-6.2578495967,-2.0025723085,0.0170869487,-0.0042524494,GGA,P-1,A2BC6D3_aP24_2_2i_i_6i_3i:Ba-Ca-O-Pd,24.0,A2BC6D3_aP24_1_4a_2a_12a_6a:Ba-Ca-O-Pd +mp-17380,Ba2Ca(PdO2)3,-6.2749365454,-2.0196592573,0.0,-0.0213393982,GGA,Fmmm,A2BC6D3_oF96_69_fg_i_np_hm:Ba-Ca-O-Pd,24.0,"Invalid WP multiplicities - A2BC6D3_oF96_69_fg_i_2n3p_hm:Ba-Ca-O-Pd, expected Ba2CaPd3O16 to be Ba2Ca(PdO2)3" +mp-1113795,Rb2CuRuF6,-4.90979657,-2.229441454,0.0790778222,0.0790778222,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Ru +mp-651347,K3Mo3Se14,-5.150170374,-0.9096249811,0.0237758983,0.0237758983,GGA,Cmc2_1,A3B3C14_oC320_36_2a5b_2a5b_12a22b:K-Mo-Se,160.0,"Invalid WP multiplicities - A3B3C14_oC320_36_4a20b_4a18b_24a88b:K-Mo-Se, expected K11(MoSe5)10 to be K3Mo3Se14" +mp-1226012,K2InMo15Se19,-7.1617082054,-0.8352338446,0.0298501115,0.0298501115,GGA,P2_1/m,AB2C15D19_mP74_11_e_f_3e6f_3e8f:In-K-Mo-Se,74.0,"Invalid WP multiplicities - AB2C15D19_mP74_11_e_f_6e24f_6e26f:In-K-Mo-Se, expected K2In(Mo27Se29)2 to be K2InMo15Se19" +mp-542749,K2(MoSe6)3,-5.0324425248,-0.7853053586000001,0.0,-0.1211388636,GGA,P2_1,A2B3C18_mP46_4_2a_3a_18a:K-Mo-Se,46.0,A2B3C18_mP46_4_2a_3a_18a:K-Mo-Se +mp-1104242,K(MoSe)3,-7.2147693307,-0.9097573721,0.0,-0.107709666,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:K-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:K-Mo-Se +mp-1204618,K2Mo15Se19,-7.2769584797,-0.8511843792,0.037625195,0.037625195,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:K-Mo-Se,72.0,A2B15C19_hR216_167_c_e2f_2ce2f:K-Mo-Se +mp-1223716,KIn(MoSe)6,-7.1649691307,-0.7427225448,0.0304205729,0.0304205729,GGA,P-6,ABC6D6_hP14_174_a_d_jk_jk:In-K-Mo-Se,14.0,ABC6D6_hP14_174_a_d_jk_jk:In-K-Mo-Se +mp-1226296,CrCu(PSe3)2,-5.055783608,-0.5003508061,0.0,-0.0127817157,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Cr-Cu-P-Se,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Cr-Cu-P-Se, expected CrCu(PSe4)2 to be CrCu(PSe3)2" +mp-570486,NbP2Se2Cl5,-4.8961328235,-1.1798911926,0.0,-0.0089338983,GGA,P2_1/c,A5BC2D2_mP80_14_10e_2e_4e_4e:Cl-Nb-P-Se,80.0,"Invalid WP multiplicities - A5BC2D2_mP80_14_36e_6e_15e_14e:Cl-Nb-P-Se, expected Nb6P15(Se7Cl18)2 to be NbP2Se2Cl5" +mp-1196140,NbP4Se3Cl5,-4.9101203436,-0.9497408974,0.0060242085,0.0060242085,GGA,Pbca,A5BC4D3_oP104_61_5c_c_4c_3c:Cl-Nb-P-Se,104.0,"Invalid WP multiplicities - A5BC4D3_oP104_61_10c_c_8c_6c:Cl-Nb-P-Se, expected NbP8(Se3Cl5)2 to be NbP4Se3Cl5" +mp-7524,NbPSe,-7.192084845,-0.8552451702,0.0607415563,0.0607415563,GGA,Immm,ABC_oI12_71_e_g_f:Nb-P-Se,6.0,ABC_oI12_71_e_g_f:Nb-P-Se +mp-1215500,Zn3CoS4,-4.3029571938,-0.8737886822,0.1033271972,0.1033271972,GGA,P-4m2,AB4C3_tP8_115_b_2g_ce:Co-S-Zn,8.0,"Invalid WP multiplicities - AB4C3_tP8_115_b_3g_c2e:Co-S-Zn, expected Zn5CoS6 to be Zn3CoS4" +mp-1045431,Zn(CoS2)2,-5.201419,-0.6268220475,0.1882145251,0.1882145251,GGA,Imma,A2B4C_oI28_74_ac_hi_b:Co-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_2a2c_4h3i_b:Co-S-Zn, expected Zn(Co2S7)2 to be Zn(CoS2)2" +mp-1400406,Zn(CoS2)2,-5.37089126,-0.7962943075000001,0.0187422651,0.0187422651,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Co-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Co-S-Zn +mp-1323643,ZnCo2S5,-5.0774908037,-0.5576622370000001,0.2275705007,0.2275705007,GGA,Pmmn,A2B5C_oP16_59_e_a2e_b:Co-S-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Co-S-Zn +mp-1215468,Zn2CoS3,-4.490752575,-0.8178934724,0.130550562,0.130550562,GGA,P3m1,AB3C2_hP6_156_a_abc_bc:Co-S-Zn,6.0,AB3C2_hP6_156_a_abc_bc:Co-S-Zn +mp-1401700,Zn(CoS2)4,-5.4480941462,-0.6185084750000001,0.1400188389,0.1400188389,GGA,R-3m,A4B8C_hR39_166_ad_ch_b:Co-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_ad_c2h_b:Co-S-Zn, expected Zn(Co2S7)2 to be Zn(CoS2)4" +mp-1404648,Zn(CoS2)4,-5.4548602908,-0.6252746196,0.1332526943,0.1332526943,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Co-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Co-S-Zn, expected Zn(Co2S7)2 to be Zn(CoS2)4" +mp-1190454,BaHgAs2O7,-6.12737694,-1.9303121133,0.0,-0.0058916781,GGA,P-1,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Hg-O,22.0,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Hg-O +mp-1026814,CeHfMg14,-2.32949805,0.0638893803,0.0844501367,0.0844501367,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ce-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ce-Hf-Mg, expected CeHfMg18 to be CeHfMg14" +mp-1026741,CeHfMg14,-2.2918518312,0.1015355991,0.1220963554,0.1220963554,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Hf-Mg, expected CeHfMg26 to be CeHfMg14" +mp-1031136,CeHfMg6O8,-6.8211229994,-2.7545312384,0.3172855391,0.3172855391,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ce-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ce-Hf-Mg-O, expected CeHfMg6O12 to be CeHfMg6O8" +mp-1031221,CeHfMg6O8,-6.6905678775,-2.6239761166,0.447840661,0.447840661,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ce-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ce-Hf-Mg-O, expected CeHfMg6O12 to be CeHfMg6O8" +mp-1214732,CeHfO14,-6.0472513347,-0.7257563258,0.7648631494,0.7648631494,GGA,Fd-3m,ABC14_cF128_227_a_b_cg:Ce-Hf-O,32.0,ABC14_cF128_227_a_b_cg:Ce-Hf-O +mp-770372,CeHfO4,-9.8737171929,-3.9275450212,0.0474402458,0.0474402458,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Ce-Hf-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_11e:Ce-Hf-O, expected CeHfO11 to be CeHfO4" +mp-752669,CeHfO4,-9.8654343883,-3.9192622167,0.0557230504,0.0557230504,GGA,C2/c,ABC4_mC24_15_e_e_2f:Ce-Hf-O,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_e_3f:Ce-Hf-O, expected CeHfO6 to be CeHfO4" +mp-850866,CeHfO4,-9.8313656677,-3.885193496,0.089791771,0.089791771,GGA,Pmn2_1,ABC4_oP48_31_2ab_2ab_8a4b:Ce-Hf-O,48.0,"Invalid WP multiplicities - ABC4_oP48_31_4ab_3a2b_15a15b:Ce-Hf-O, expected Ce6Hf7O45 to be CeHfO4" +mp-756276,CeHfO4,-9.8499085658,-3.9037363942,0.0712488729,0.0712488729,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ce-Hf-O,12.0,ABC4_tI24_88_a_b_f:Ce-Hf-O +mp-1178500,CeHfO4,-9.8306974619,-3.8845252902,0.0904599769,0.0904599769,GGA,P2_13,ABC4_cP96_198_ab_ab_4a4b:Ce-Hf-O,96.0,"Invalid WP multiplicities - ABC4_cP96_198_2a3b_4a5b_14a38b:Ce-Hf-O, expected Ce11Hf19O128 to be CeHfO4" +mp-1039916,CeHfMg30O32,-6.4019600111,-2.9301987854,0.1282856335,0.1282856335,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ce-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ce-Hf-Mg-O, expected CeHfMg110O72 to be CeHfMg30O32" +mp-1039949,CeHfMg30O32,-6.4044178225,-2.9326565968,0.1258278221,0.1258278221,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ce-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ce-Hf-Mg-O, expected CeHfMg90O80 to be CeHfMg30O32" +mp-1021164,CeHfMg6,-3.0424804181,0.1440143925,0.1655307719,0.1655307719,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ce-Hf-Mg, expected CeHfMg12 to be CeHfMg6" +mp-1021168,CeHfMg6,-3.0502934494,0.1362013612,0.1577177406,0.1577177406,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ce-Hf-Mg, expected CeHfMg12 to be CeHfMg6" +mp-1034733,CeHfMg14O16,-6.4872410369,-2.8172029661,0.2457255724,0.2457255724,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ce-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ce-Hf-Mg-O, expected CeHfMg18O20 to be CeHfMg14O16" +mp-1034768,CeHfMg14O16,-6.4840546831,-2.8140166123,0.2489119261,0.2489119261,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ce-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ce-Hf-Mg-O, expected CeHfMg30O32 to be CeHfMg14O16" +mp-19985,TlIn(PSe3)2,-4.252311276,-0.5606712004000001,0.0,-0.0092940183,GGA,P-1,AB2C6D_aP20_2_i_2i_6i_i:In-P-Se-Tl,20.0,AB2C6D_aP20_2_i_2i_6i_i:In-P-Se-Tl +mp-13831,BaCdGeS4,-4.7239637446,-1.2938648843,0.0,-0.017147652,GGA,Fdd2,ABCD4_oF224_43_2ab_2b_2b_8b:Ba-Cd-Ge-S,56.0,ABCD4_oF224_43_2ab_2b_2b_8b:Ba-Cd-Ge-S +mp-1196183,Sm4InSbS9,-6.0163836662,-1.8175117788,0.0,-0.0030738666,GGA,P4_32_12,AB9CD4_tP120_96_b_2a8b_b_4b:In-S-Sb-Sm,120.0,AB9CD4_tP120_96_b_2a8b_b_4b:In-S-Sb-Sm +mp-560154,DySbMo2O9,-8.145292829,-2.3801169289,0.0159040299,0.0159040299,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:Dy-Mo-O-Sb,52.0,"Invalid WP multiplicities - AB2C9D_mC104_15_4e_7f_33f_f:Dy-Mo-O-Sb, expected Dy2SbMo7O33 to be DySbMo2O9" +mp-698692,Sr12Co10O27,-6.7898592069,-2.1997021744,0.0250178555,0.0250178555,GGA+U,P1,A10B27C12_aP49_1_10a_27a_12a:Co-O-Sr,49.0,A10B27C12_aP49_1_10a_27a_12a:Co-O-Sr +mp-704141,Sr5(CoO3)4,-6.775756426,-2.1928515221,0.0167976663,0.0167976663,GGA+U,P-3c1,A4B12C5_hP126_165_abc4d_6g_f2g:Co-O-Sr,126.0,"Invalid WP multiplicities - A4B12C5_hP126_165_2a2b3c15d_62g_5f20g:Co-O-Sr, expected Sr135(Co10O93)4 to be Sr5(CoO3)4" +mp-18381,SrCo6O11,-6.9745150042,-1.4882385571,0.0,-0.0622733639,GGA+U,P6_3/mmc,A6B11C_hP36_194_ceg_fhk_d:Co-O-Sr,36.0,A6B11C_hP36_194_ceg_fhk_d:Co-O-Sr +mp-1282197,Sr2CoO4,-6.6491905986,-2.324324949,0.0288523504,0.0161814351,GGA+U,P1,AB4C2_aP28_1_4a_16a_8a:Co-O-Sr,28.0,AB4C2_aP28_1_4a_16a_8a:Co-O-Sr +mp-1284356,Sr2CoO4,-6.6744308729,-2.3495652233,0.0036120761,-0.0090588391,GGA+U,P2_1,AB4C2_mP28_4_2a_8a_4a:Co-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_mP28_4_2a_15a_8a:Co-O-Sr, expected Sr8Co2O15 to be Sr2CoO4" +mp-1274516,Sr2CoO4,-6.670804,-2.3459383505,0.0072389489,-0.0054319663,GGA+U,C2/m,AB4C2_mC28_12_ac_bd3i_2i:Co-O-Sr,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_ad_bc5i_4i:Co-O-Sr, expected Sr4CoO6 to be Sr2CoO4" +mp-1275355,Sr2CoO4,-6.6780429489,-2.3531772994,0.0,-0.0126709152,GGA+U,C2/m,AB4C2_mC56_12_adi_gh4ij_ghj:Co-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_mC56_12_ac2i_2g2h6i4j_2g2h4j:Co-O-Sr, expected Sr4CoO6 to be Sr2CoO4" +mp-1295700,Sr2CoO4,-6.6692856157,-2.3444199662000003,0.0087573332,-0.003913582,GGA+U,C2/m,AB4C2_mC56_12_aci_gh4ij_ghj:Co-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_mC56_12_ad2i_2gh6i4j_2gh4j:Co-O-Sr, expected Sr11Co3O17 to be Sr2CoO4" +mp-18724,Sr2CoO4,-6.6668266929,-2.3419610433,0.0112162561,-0.0014546591,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Co-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Co-O-Sr +mp-1273193,Sr2CoO4,-6.6307068625,-2.305841213,0.0473360864,0.0346651712,GGA+U,Pmmn,AB4C2_oP14_59_a_abe_e:Co-O-Sr,28.0,AB4C2_oP14_59_a_abe_e:Co-O-Sr +mp-1291942,Sr2CoO4,-6.6598298214,-2.3349641719,0.0182131275,0.0055422123,GGA+U,Pmmn,AB4C2_oP28_59_2a_2a2b2e_2e:Co-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_oP28_59_2a_3a4b7e_7e:Co-O-Sr, expected Sr14Co2O21 to be Sr2CoO4" +mp-2221407,Sr2CoO4,-6.6070134857,-2.2821478362,0.0710294632,0.058358548,GGA+U,Immm,AB4C2_oI14_71_a_cde_e:Co-O-Sr,7.0,AB4C2_oI14_71_a_cde_e:Co-O-Sr +mp-562506,SrCo12O19,-7.0244529039,-1.3689406381,0.0377406453,0.0377406453,GGA+U,P6_3/mmc,A12B19C_hP64_194_ab2fk_efh2k_c:Co-O-Sr,64.0,"Invalid WP multiplicities - A12B19C_hP64_194_2a2b6f7k_4e3f5h14k_c:Co-O-Sr, expected SrCo58O113 to be SrCo12O19" +mp-562466,SrCoO3,-6.660390813,-1.9328153366,0.0733170399,0.0733170399,GGA+U,P-1,AB3C_aP20_2_aci_6i_2i:Co-O-Sr,20.0,"Invalid WP multiplicities - AB3C_mP20_11_2a2e_7e4f_2e:Co-O-Sr, expected Sr2Co4O15 to be SrCoO3" +mp-550781,SrCoO3,-6.6462547355,-1.9186792591,0.0874531174,0.0874531174,GGA+U,P2_1/m,AB3C_mP20_11_ae_4ef_2e:Co-O-Sr,20.0,"Invalid WP multiplicities - AB3C_mP20_11_2a2e_7e4f_2e:Co-O-Sr, expected Sr2Co4O15 to be SrCoO3" +mp-1272815,SrCoO3,-6.6941995435,-1.9666240671,0.0395083094,0.0395083094,GGA+U,Amm2,AB3C_oC40_38_2a2b_4cde_de:Co-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oC40_38_2a2b_8c2d2e_2d2e:Co-O-Sr, expected Sr2CoO6 to be SrCoO3" +mp-1273854,SrCoO3,-6.698450142,-1.9708746656,0.0352577109,0.0352577109,GGA+U,P4/mmm,AB3C_tP10_123_ab_efg_h:Co-O-Sr,20.0,"Invalid WP multiplicities - AB3C_tP10_123_2a2b_4e4fg_h:Co-O-Sr, expected SrCo2O9 to be SrCoO3" +mp-1283849,SrCoO3,-6.715478788,-1.9879033116,0.0182290649,0.0182290649,GGA+U,P4/mbm,AB3C_tP10_127_c_dh_a:Co-O-Sr,10.0,AB3C_tP10_127_c_dh_a:Co-O-Sr +mp-505766,SrCoO3,-6.651910965,-1.9243354886,0.0817968879,0.0817968879,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Sr,10.0,AB3C_cP5_221_b_c_a:Co-O-Sr +mp-690516,Sr2Co2O5,-6.7963517067,-2.0931221452,0.0522579733,0.0481475523,GGA+U,P1,A2B5C2_aP9_1_2a_5a_2a:Co-O-Sr,9.0,A2B5C2_aP9_1_2a_5a_2a:Co-O-Sr +mp-556076,Sr2Co2O5,-6.84860968,-2.1453801186,0.0,-0.0041104211,GGA+U,P1,A2B5C2_aP18_1_4a_10a_4a:Co-O-Sr,18.0,A2B5C2_aP18_1_4a_10a_4a:Co-O-Sr +mp-37331,Sr2Co2O5,-5.3112214789,-0.6079919175,1.5373882011000002,1.53327778,GGA+U,I4/mmm,A2B5C2_tI18_139_c_af_e:Co-O-Sr,9.0,"Invalid WP multiplicities - A2B5C2_tI18_139_c_a2f_e:Co-O-Sr, expected Sr2Co2O9 to be Sr2Co2O5" +mp-542899,Sr2Co2O5,-6.8435174067,-2.1402878452,0.0050922733,0.0009818523,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Co-O-Sr,18.0,A2B5C2_oI36_46_ab_b2c_c:Co-O-Sr +mp-645208,Sr2Co2O5,-6.8472333389,-2.1440037775,0.0013763411,-0.00273408,GGA+U,Pnma,A2B5C2_oP36_62_ac_c2d_d:Co-O-Sr,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_ac_4c8d_d:Co-O-Sr, expected SrCoO10 to be Sr2Co2O5" +mp-1094065,Sr2Co2O5,-6.8134817422000005,-2.1102521808,0.0351279378,0.0310175167,GGA+U,P4/mmm,A2B5C2_tP9_123_ac_bj_e:Co-O-Sr,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ac_b2j_e:Co-O-Sr, expected Sr2Co2O9 to be Sr2Co2O5" +mp-1274129,Sr2CoGe2O7,-7.0433317338,-2.5133166179,0.0011605325,-0.0120924595,GGA+U,I-4,AB2C7D2_tI96_82_abf_2g_7g_2g:Co-Ge-O-Sr,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Ge-O-Sr +mp-1191317,Sr2CoGe2O7,-7.0444922662,-2.5144771504,0.0,-0.013252992,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Co-Ge-O-Sr,24.0,AB2C7D2_tP24_113_a_e_cef_e:Co-Ge-O-Sr +mp-7361,Sr(CoGe)2,-5.457827012,-0.4273900613,0.0,-0.0890982395,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Ge-Sr,5.0,A2B2C_tI10_139_d_e_a:Co-Ge-Sr +mp-758139,Sr21Co14O43,-6.7610098731,-2.3032736393,0.0079203684,0.0079203684,GGA+U,C2/m,A14B43C21_mC156_12_g3j_ag2h9j_bg3i3j:Co-O-Sr,78.0,"Invalid WP multiplicities - A14B43C21_mC156_12_2g8j_ag4h27j_bg6i8j:Co-O-Sr, expected Sr47Co36O119 to be Sr21Co14O43" +mp-758069,Sr18Co12O35,-6.7459740257,-2.3022078627,0.0258148241,0.0258148241,GGA+U,Cm,A12B35C18_mC130_8_6b_3a16b_6a6b:Co-O-Sr,65.0,"Invalid WP multiplicities - A12B35C18_mC130_8_9b_3a29b_6a10b:Co-O-Sr, expected Sr26Co18O61 to be Sr18Co12O35" +mp-1519959,SrCo(GeO3)4,-6.32579671,-1.5118974209,0.4882063217,0.4882063217,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Co-Ge-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Co-Ge-O-Sr, expected SrCo(GeO4)4 to be SrCo(GeO3)4" +mp-1218543,Sr6Co4O13,-6.7293252204,-2.2564041271,0.0287300877,0.0287300877,GGA+U,Cmmm,A4B13C6_oC46_65_gh_bghr_acgh:Co-O-Sr,23.0,"Invalid WP multiplicities - A4B13C6_oC46_65_g2h_bg2hr_acg2h:Co-O-Sr, expected Sr8(Co2O5)3 to be Sr6Co4O13" +mp-1208785,Sr3Co2O9,-6.0978586879,-1.5403362342,0.3671157602,0.3671157602,GGA+U,C2/m,A2B9C3_mC28_12_i_a4i_di:Co-O-Sr,14.0,A2B9C3_oI28_71_e_a2e2f_be:Co-O-Sr +mp-1077403,SrCoO,-4.4877043933,0.0937955932,2.1456135883,2.1456135883,GGA+U,P6_3/mmc,ABC_hP6_194_a_b_c:Co-O-Sr,6.0,ABC_hP6_194_a_b_c:Co-O-Sr +mp-1642632,SrCo(GeO3)2,-7.0476838698,-2.2752839472,0.0,-0.0005006365,GGA+U,P-1,AB2C6D_aP40_2_2i_4i_12i_2i:Co-Ge-O-Sr,40.0,AB2C6D_aP40_1_4a_8a_24a_4a:Co-Ge-O-Sr +mp-19235,Sr6(CoO3)5,-6.7965894319,-2.1858632641,0.0,-0.0275446898,GGA+U,R32,A5B15C6_hR78_155_a2c_e2f_de:Co-O-Sr,26.0,"Invalid WP multiplicities - A5B15C6_hR78_155_a2c_e3f_de:Co-O-Sr, expected Sr6Co5O21 to be Sr6(CoO3)5" +mp-644424,Sr2CoO3,-6.4602436633,-2.2390151908,0.2411417229,0.2411417229,GGA+U,C2/m,AB3C2_mC12_12_a_bi_i:Co-O-Sr,6.0,AB3C2_mC12_12_a_bi_i:Co-O-Sr +mp-2615276,Sr2CoO3,-6.5063000933,-2.2850716208,0.1950852929,0.1950852929,GGA+U,I4/mmm,AB3C2_tI12_139_a_be_e:Co-O-Sr,6.0,AB3C2_oF24_69_a_bg_g:Co-O-Sr +mp-1219118,Sr18Co14O45,-6.7351233922,-2.1568334793,0.0129528269,0.0129528269,GGA+U,C2,A14B45C18_mC154_5_7c_a22c_ab8c:Co-O-Sr,77.0,"Invalid WP multiplicities - A14B45C18_mC154_5_13c_a43c_ab15c:Co-O-Sr, expected Sr32Co26O87 to be Sr18Co14O45" +mp-1280608,Sr3(CoO3)2,-6.7560716209,-2.3046854193,0.01740632,0.0102123127,GGA+U,C2,A2B6C3_mC44_5_abc_6c_ab2c:Co-O-Sr,22.0,A2B6C3_aP22_1_4a_12a_6a:Co-O-Sr +mp-1307814,Sr3(CoO3)2,-6.7722528395,-2.320866638,0.0012251014,-0.0059689059,GGA+U,Cc,A2B6C3_mC44_9_2a_6a_3a:Co-O-Sr,22.0,A2B6C3_aP22_1_4a_12a_6a:Co-O-Sr +mp-1301803,Sr3(CoO3)2,-6.7401768759,-2.2887906743,0.033301065,0.0261070577,GGA+U,C2/c,A2B6C3_mC44_15_ce_3f_ef:Co-O-Sr,22.0,"Invalid WP multiplicities - A2B6C3_mC44_15_ae_12f_2e3f:Co-O-Sr, expected Sr4CoO12 to be Sr3(CoO3)2" +mp-758193,Sr3(CoO3)2,-6.7152510964,-2.2638648948,0.0582268445,0.0510328373,GGA+U,Immm,A2B6C3_oI66_71_en_efh3n_aegn:Co-O-Sr,33.0,"Invalid WP multiplicities - A2B6C3_oI66_71_2e2n_2e2fh12n_a2e2g3n:Co-O-Sr, expected Sr21(Co6O29)2 to be Sr3(CoO3)2" +mp-1192011,Sr3(CoO3)2,-6.7734779409,-2.3220917393,0.0,-0.0071940073,GGA+U,R-3c,A2B6C3_hR66_167_ab_f_e:Co-O-Sr,22.0,A2B6C3_hR66_167_ab_f_e:Co-O-Sr +mp-757739,Sr3Co3O8,-6.7632320932,-2.0513075621,0.0702095228,0.0702095228,GGA+U,C2/m,A3B8C3_mC56_12_3i_ace4ij_fj:Co-O-Sr,28.0,"Invalid WP multiplicities - A3B8C3_mC56_12_4i_ad2e7i3j_fj:Co-O-Sr, expected Sr3(CoO4)4 to be Sr3Co3O8" +mp-565434,Sr8Co8O23,-6.7310171521,-2.0090599637,0.0485117045,0.0485117045,GGA+U,I4/mmm,A8B23C8_tI78_139_def_achkm_ij:Co-O-Sr,39.0,"Invalid WP multiplicities - A8B23C8_tI78_139_2d2e3f_a2c2h5k6m_3i3j:Co-O-Sr, expected Sr24Co20O101 to be Sr8Co8O23" +mp-14515,NaNd(GaS2)4,-4.9747275829,-1.3108236006,0.0,-0.0391539536,GGA,Fddd,A4BCD8_oF224_70_2h_e_ab_4h:Ga-Na-Nd-S,56.0,"Invalid WP multiplicities - A4BCD8_oF224_70_2h_e_ab_5h:Ga-Na-Nd-S, expected NaNd(Ga2S5)2 to be NaNd(GaS2)4" +mp-1095352,LiEuAs,-6.6532651417,-1.0449174511,0.0,-0.0725980756,GGA,Pnma,ABC_oP12_62_c_c_c:As-Eu-Li,12.0,ABC_oP12_62_c_c_c:As-Eu-Li +mp-1191481,LiEuAsS3,-6.2346654192,-1.3622666405,0.0128885392,0.0128885392,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Eu-Li-S,24.0,ABCD3_mP24_14_e_e_e_3e:As-Eu-Li-S +mp-28471,Li3AsS3,-4.400070605,-1.1436082328,0.0,-0.0082759479,GGA,Pna2_1,AB3C3_oP28_33_a_3a_3a:As-Li-S,28.0,"Invalid WP multiplicities - AB3C3_oP28_33_a_4a_4a:As-Li-S, expected Li4AsS4 to be Li3AsS3" +mp-555874,LiAsS2,-4.5692398225,-0.8590045711000001,0.0,-0.0129808431,GGA,Cc,ABC2_mC16_9_a_a_2a:As-Li-S,8.0,ABC2_mC16_9_a_a_2a:As-Li-S +mp-22731,MnInNi2,-5.95586806,-0.0873749645,0.0385407062,0.0385407062,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mn-Ni,4.0,ABC2_cF16_225_a_b_c:In-Mn-Ni +mp-1521551,Sr2CeSiO6,-7.827369054,-3.3856164181,0.1896901188,0.1896901188,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-O-Si-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-O-Si-Sr +mp-2228995,MgCr2(IrO6)2,-7.1040426159,-1.3426597991,0.2691539221,0.2691539221,GGA+U,P1,A2B2CD12_aP17_1_2a_2a_a_12a:Cr-Ir-Mg-O,17.0,A2B2CD12_aP17_1_2a_2a_a_12a:Cr-Ir-Mg-O +mp-1376144,Mg2CrIrO6,-7.3148180555,-2.1776006537,0.0760117585,0.0760117585,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Cr-Ir-Mg-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_10e:Cr-Ir-Mg-O, expected Mg2CrIrO20 to be Mg2CrIrO6" +mp-1104366,Ti4NiS8,-6.9419947123,-1.5224790445,0.0,-0.0017379277,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Ni-S-Ti,13.0,AB8C4_mC26_12_a_2ij_hi:Ni-S-Ti +mp-1025263,Ti2NiS4,-6.8763318386000005,-1.431057527,0.0,-0.0074639039,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-S-Ti,7.0,AB4C2_mC14_12_a_2i_i:Ni-S-Ti +mp-1191806,Mg3TiNi2,-4.3036679537,-0.260900366,0.0,-0.0236255436,GGA,Fd-3m,A3B2C_cF96_227_f_e_c:Mg-Ni-Ti,24.0,A3B2C_cF96_227_f_e_c:Mg-Ni-Ti +mp-13993,Ti3NiS6,-6.923050902,-1.4945197089,0.0,-0.0040381955,GGA,R-3,AB6C3_hR30_148_a_f_bc:Ni-S-Ti,10.0,AB6C3_hR30_148_a_f_bc:Ni-S-Ti +mp-13994,Ti3NiS6,-6.922898233,-1.4943670399,0.000152669,-0.0038855265,GGA,P-31c,AB6C3_hP20_163_c_i_bf:Ni-S-Ti,20.0,AB6C3_hP20_163_c_i_bf:Ni-S-Ti +mp-1097548,MgTiNi2,-3.1232771275,2.1407342292,2.4980919642,2.4980919642,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ni-Ti,4.0,AB2C_oI8_71_a_e_b:Mg-Ni-Ti +mp-1247127,MgTiNiS4,-5.7510836936,-1.2051253773,0.1458065821,0.1458065821,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Ni-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Ni-S-Ti, expected MgTiNiS12 to be MgTiNiS4" +mp-1246934,Mg2Ti3NiS8,-6.1079521636,-1.4108970375,0.1359179779,0.1359179779,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Ni-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Mg-Ni-S-Ti, expected Mg2Ti3NiS16 to be Mg2Ti3NiS8" +mp-1028384,Mg14TiNi,-2.1948069144,0.0601649229,0.1271400467,0.1271400467,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Ti, expected Mg18TiNi to be Mg14TiNi" +mp-1028365,Mg14TiNi,-2.1835877375,0.0713840998,0.1383592236,0.1383592236,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Ti, expected Mg26TiNi to be Mg14TiNi" +mp-1247039,Mg2TiNi3S8,-5.3689510286,-0.974089522,0.1793455914,0.1793455914,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Ni-S-Ti,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c3h_a:Mg-Ni-S-Ti, expected Mg2TiNi3S22 to be Mg2TiNi3S8" +mp-1021984,Mg6TiNi,-2.7929173,0.1167463246,0.2307042917,0.2307042917,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Ti, expected Mg12TiNi to be Mg6TiNi" +mp-1021904,Mg6TiNi,-2.8249896563,0.0846739683,0.1986319354,0.1986319354,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-Ti, expected Mg12TiNi to be Mg6TiNi" +mp-20639,BaMnGe,-5.4023221533,-0.1676494576,0.2298344174,0.2298344174,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Ge-Mn,6.0,ABC_tP6_129_c_c_a:Ba-Ge-Mn +mp-22412,Ba(MnGe)2,-6.134044302,-0.2362320552,0.0945817545,0.0945817545,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Ba-Ge-Mn +mp-1192147,Ba2MnGe2O7,-7.3561692254,-2.616765737,0.0,-0.0394860567,GGA+U,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Ba-Ge-Mn-O,48.0,A2B2CD7_tP24_113_e_e_a_cef:Ba-Ge-Mn-O +mp-680312,La6Ti3Se9O5,-7.4454309848,-2.6845977006,0.0031365091,0.0023747393,GGA,P1,A6B5C9D3_aP46_1_12a_10a_18a_6a:La-O-Se-Ti,46.0,"Invalid WP multiplicities - A6B5C9D3_mC92_12_10i_9i_17i_ac3i:La-O-Se-Ti, expected La10Ti4Se17O9 to be La6Ti3Se9O5" +mp-1330058,La6Ti3Se9O5,-7.4203475415,-2.6595142574,0.0282199524,0.0274581825,GGA,Cm,A6B5C9D3_mC92_8_12a_10a_18a_6a:La-O-Se-Ti,46.0,"Invalid WP multiplicities - A6B5C9D3_mC92_12_10i_9i_17i_ac3i:La-O-Se-Ti, expected La10Ti4Se17O9 to be La6Ti3Se9O5" +mp-1172881,La6Ti3Se9O5,-7.4485674939,-2.6877342098,0.0,-0.0007617699,GGA,C2/m,A6B5C9D3_mC92_12_6i_5i_9i_ad2i:La-O-Se-Ti,46.0,"Invalid WP multiplicities - A6B5C9D3_mC92_12_10i_9i_17i_ac3i:La-O-Se-Ti, expected La10Ti4Se17O9 to be La6Ti3Se9O5" +mp-1223562,La4Ti2Se5O4,-7.6685117767,-2.8150901309,0.0292046201,0.0292046201,GGA,Cmc2_1,A4B4C5D2_oC120_36_8a_8a_10a_4a:La-O-Se-Ti,60.0,"Invalid WP multiplicities - A4B4C5D2_oC120_36_11a_11a_14a_5a:La-O-Se-Ti, expected La11Ti5Se14O11 to be La4Ti2Se5O4" +mp-1044140,Si2Sb15O28,-6.4899461136,-1.7945474786000002,0.1771919919,0.1771919919,GGA,P1,A28B15C2_aP45_1_28a_15a_2a:O-Sb-Si,45.0,A28B15C2_aP45_1_28a_15a_2a:O-Sb-Si +mp-1183443,BeSbO3,-6.06812796,-1.5264319123,0.8179686868,0.8179686868,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Sb,5.0,AB3C_cP5_221_b_c_a:Be-O-Sb +mp-1323719,Si2SbO6,-7.5995562894,-2.6373596708,0.1541082882,0.1541082882,GGA,C2/c,A6BC2_mC36_15_3f_e_f:O-Sb-Si,18.0,A6BC2_mC36_15_3f_e_f:O-Sb-Si +mp-1041875,Si2SbO6,-7.5624515937,-2.6002549751,0.1912129839,0.1912129839,GGA,Pbca,A6BC2_oP72_61_6c_c_2c:O-Sb-Si,72.0,"Invalid WP multiplicities - A6BC2_oP72_61_41c_c_8c:O-Sb-Si, expected Si8SbO41 to be Si2SbO6" +mp-769028,Si3Sb2O9,-7.6494961171,-2.7170564763,0.0097144661,0.0097144661,GGA,P6_3/m,A9B2C3_hP28_176_hi_f_h:O-Sb-Si,28.0,"Invalid WP multiplicities - A9B2C3_hP28_176_4h3i_f_h:O-Sb-Si, expected Si3(SbO15)2 to be Si3Sb2O9" +mp-1041250,Be3Si3(SbO6)2,-7.447330493,-2.691707508,0.1498338821,0.1498338821,GGA,P2_1/c,A3B12C2D3_mP80_14_3e_12e_2e_3e:Be-O-Sb-Si,80.0,"Invalid WP multiplicities - A3B12C2D3_mP80_14_4e_17e_2e_3e:Be-O-Sb-Si, expected Be4Si3Sb2O17 to be Be3Si3(SbO6)2" +mp-1142725,SiSbO4,-7.0028211621,-2.1126421429,0.440543751,0.440543751,GGA,Ia-3d,A4BC_cI144_230_h_c_d:O-Sb-Si,72.0,A4BC_cI144_230_h_c_d:O-Sb-Si +mp-1043416,Si4SbO10,-7.8300912483,-2.8102805502,0.1718130609,0.1718130609,GGA,P4/ncc,A10BC4_tP60_130_f2g_c_g:O-Sb-Si,60.0,"Invalid WP multiplicities - A10BC4_tP60_130_f5g_c_g:O-Sb-Si, expected Si4SbO22 to be Si4SbO10" +mp-1113008,Cs2LiPrI6,-3.43708473,-1.7050015834,0.0,-0.0186292395,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Pr +mp-1214538,BaNaGaF6,-5.3958793844,-3.4249382666,0.0,-0.0224873754,GGA,Pna2_1,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Ga-Na,72.0,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Ga-Na +mp-1110777,K2RbPrBr6,-3.832609652,-2.1025688818,0.1230521343,0.1230521343,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Pr-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Pr-Rb +mp-1110904,Na2LiInF6,-4.776317614,-2.8988645151,0.0983338835,0.0983338835,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Na +mp-6527,Na3Li3In2F12,-4.9250523635,-3.018279386,0.0,-0.0199727645,GGA,Ia-3d,A12B2C3D3_cI160_230_h_a_d_c:F-In-Li-Na,80.0,A12B2C3D3_cI160_230_h_a_d_c:F-In-Li-Na +mp-1078872,Cs2Pu(Cl2O)2,-6.1980405944,-2.4929109126,0.0006402589,-0.1591603462,GGA,C2/m,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-Pu,9.0,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-Pu +mp-1079678,Cs2Pu(Cl2O)2,-6.1986808533,-2.4935511715,0.0,-0.1598006051,GGA,C2/m,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-Pu,9.0,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-Pu +mp-1209657,Pu2Cl2O,-8.780996912,-1.3451091737,1.1559530045,1.1559530045,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-O-Pu,5.0,A2BC2_tP5_123_g_a_g:Cl-O-Pu +mp-1025208,Cs2PuO4,-7.82189195,-2.7011208187,0.0,-0.2743530429,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-O-Pu,7.0,A2B4C_tI14_139_e_ce_a:Cs-O-Pu +mp-571448,Cs2PuCl6,-5.3466380789,-2.3299866307,0.0,-0.2655726272,GGA,P-3m1,A6B2C_hP9_164_i_d_a:Cl-Cs-Pu,9.0,A6B2C_hP9_164_i_d_a:Cl-Cs-Pu +mp-2647156,CsPuO3,-8.905677414,-2.9050160468,0.080952522,0.080952522,GGA,P4/mbm,AB3C_tP10_127_a_dh_c:Cs-O-Pu,20.0,AB3C_tP10_127_a_dh_c:Cs-O-Pu +mp-27981,PuClO,-10.10526964,-3.0842484062,0.0,-0.081004425,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Pu,6.0,ABC_tP6_129_c_a_c:Cl-O-Pu +mp-1207445,Zr6Ga2CoH10,-5.7280795068,-0.5502913979,0.0918127477,0.0918127477,GGA,P-62c,AB2C10D6_hP38_190_b_f_ag2h_gh:Co-Ga-H-Zr,38.0,AB2C10D6_hP38_190_b_f_ag2h_gh:Co-Ga-H-Zr +mp-1192457,SbIrXeF12,-4.3309788037,-1.9348883237,0.0465824005,0.0465824005,GGA,Cc,A12BCD_mC60_9_12a_a_a_a:F-Ir-Sb-Xe,30.0,A12BCD_mC60_9_12a_a_a_a:F-Ir-Sb-Xe +mp-1112427,K2GaAuCl6,-3.497239443,-1.5358398554,0.1661316339,0.1661316339,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Ga-K +mp-3299,Sr(FeP)2,-6.715007004,-0.8237788267,0.0,-0.1299744047,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-P-Sr,5.0,A2B2C_tI10_139_d_e_a:Fe-P-Sr +mp-1013532,Sr3AsP,-3.603500016,-0.5753197617,0.4907167469,0.4907167469,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-P-Sr,5.0,ABC3_cP5_221_b_a_c:As-P-Sr +mp-1013553,Sr3AsP,-3.805401646,-0.7772213917,0.2888151169,0.2888151169,GGA,Pm-3m,ABC3_cP5_221_a_b_c:As-P-Sr,5.0,ABC3_cP5_221_a_b_c:As-P-Sr +mp-1218282,SrFe2AsP,-6.420621778,-0.6802304210000001,0.0250391237,0.0250391237,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:As-Fe-P-Sr,5.0,AB2CD_tI10_107_a_b_a_a:As-Fe-P-Sr +mp-1212368,Ho2Be2GeO7,-7.9485159433,-3.290724918,0.0,-0.0088747193,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Ho-O,24.0,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Ho-O +mp-31102,Tb3ReO7,-8.8893093605,-3.3461778637,0.0472715998,0.0472715998,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Re-Tb,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_cg2h_a_bg:O-Re-Tb, expected Tb3ReO11 to be Tb3ReO7" +mp-1208421,Tb5(ReO6)2,-9.0008519574,-3.3471072518,0.0,-0.0511949824,GGA,C2/m,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Tb,19.0,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Tb +mp-13931,Ba2TbReO6,-8.093425936,-3.0337283927,0.0,-0.0185617748,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Tb +mp-1079949,UAlPt,-7.7230836889,-0.6870439689000001,0.0079055669,0.0079055669,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pt-U,9.0,ABC_hP9_189_f_bc_g:Al-Pt-U +mp-569698,UAl2Pd5,-6.2973298363,-0.7120834962,0.0155617097,0.0155617097,GGA,I4/mmm,A2B5C_tI16_139_e_ag_b:Al-Pd-U,8.0,A2B5C_tI16_139_e_ag_b:Al-Pd-U +mp-1206028,UPdPt4,-7.3507189183,-0.5580814017,0.0,-0.0432500858,GGA,F-43m,AB4C_cF24_216_a_e_c:Pd-Pt-U,6.0,AB4C_cF24_216_a_e_c:Pd-Pt-U +mp-4561,UAl3Pd2,-6.060794845,-0.5794779917,0.0796314473,0.0796314473,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Pd-U,6.0,A3B2C_hP6_191_g_c_a:Al-Pd-U +mp-1216589,U2Al6Pd3Pt,-6.1795654825,-0.62397767,0.081403877,0.081403877,GGA,Pmm2,A6B3CD2_oP12_25_bd2f_a2c_a_ac:Al-Pd-Pt-U,12.0,"Invalid WP multiplicities - A6B3CD2_oP12_25_bd4f_a2c_a_ac:Al-Pd-Pt-U, expected U2Al10Pd3Pt to be U2Al6Pd3Pt" +mp-1226468,CeZnAgP2,-4.823051932,-0.6526531757,0.0405650217,0.0405650217,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Ag-Ce-P-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Ag-Ce-P-Zn +mp-675111,CeAgP2,-5.4608855656,-0.5628230227000001,0.2208262227,0.2208262227,GGA,C2/c,ABC2_mC32_15_f_f_2f:Ag-Ce-P,16.0,"Invalid WP multiplicities - ABC2_mC32_15_f_f_6f:Ag-Ce-P, expected CeAgP6 to be CeAgP2" +mp-1213847,Ce(ZnP)3,-4.2953504264,-0.5878893543,0.0,-0.0246320661,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:Ce-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:Ce-P-Zn +mp-561413,Rb2Tb3AlF16,-5.9252976527,-3.6437792093,0.1228093705,0.1228093705,GGA,P6_3/mmc,AB16C2D3_hP44_194_a_bh2k_f_h:Al-F-Rb-Tb,44.0,"Invalid WP multiplicities - AB16C2D3_hP44_194_a_2b6h16k_f_h:Al-F-Rb-Tb, expected Rb2Tb3AlF116 to be Rb2Tb3AlF16" +mp-559737,Rb2Tb3AlF16,-6.0097995386,-3.7282810952,0.0383074845,0.0383074845,GGA,P6_3/mmc,AB16C2D3_hP44_194_a_bh2k_f_h:Al-F-Rb-Tb,44.0,"Invalid WP multiplicities - AB16C2D3_hP44_194_a_2b6h15k_f_h:Al-F-Rb-Tb, expected Rb2Tb3AlF110 to be Rb2Tb3AlF16" +mp-1017455,LaHfMg6,-2.9360763475,0.1257832069,0.1996725115,0.1996725115,GGA,Amm2,ABC6_oC16_38_a_b_abde:Hf-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Hf-La-Mg, expected LaHfMg12 to be LaHfMg6" +mp-1017463,LaHfMg6,-2.929107135,0.1327524194,0.206641724,0.206641724,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Hf-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Hf-La-Mg, expected LaHfMg12 to be LaHfMg6" +mp-1034891,LaHfMg14O16,-6.4557378566,-2.8168585998,0.2648021609,0.2648021609,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Hf-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Hf-La-Mg-O, expected LaHfMg18O20 to be LaHfMg14O16" +mp-1034866,LaHfMg14O16,-6.4541607547,-2.815281498,0.2663792627,0.2663792627,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Hf-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Hf-La-Mg-O, expected LaHfMg30O32 to be LaHfMg14O16" +mp-772850,La2Hf2O7,-9.8572787225,-4.0015320635,0.0414545916,-0.0197263077,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Hf-La-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_4_7a_7a_27a:Hf-La-O, expected La7Hf7O27 to be La2Hf2O7" +mp-554235,La2Hf2O7,-9.4507570695,-3.5950104106,0.4479762445,0.3867953452,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Hf-La-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Hf-La-O, expected LaHfO10 to be La2Hf2O7" +mp-12533,La2Hf2O7,-9.8987333141,-4.0429866551,0.0,-0.0611808993,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Hf-La-O,22.0,A2B2C7_cF88_227_d_c_af:Hf-La-O +mp-1039919,LaHfMg30O32,-6.3854862581,-2.9293044395,0.1385460906,0.1385460906,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Hf-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Hf-La-Mg-O, expected LaHfMg110O72 to be LaHfMg30O32" +mp-1039918,LaHfMg30O32,-6.386956028,-2.9307742093,0.1370763207,0.1370763207,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Hf-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Hf-La-Mg-O, expected LaHfMg90O80 to be LaHfMg30O32" +mp-1026742,LaHfMg14,-2.2776457788,0.0534240234,0.100273692,0.100273692,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Hf-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Hf-La-Mg, expected LaHfMg18 to be LaHfMg14" +mp-1026728,LaHfMg14,-2.2558074387,0.0752623634,0.122112032,0.122112032,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Hf-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Hf-La-Mg, expected LaHfMg26 to be LaHfMg14" +mp-756293,La2HfO5,-9.4840683919,-3.9137375423,0.0767240557,0.0767240557,GGA,C2/c,AB2C5_mC32_15_a_f_e2f:Hf-La-O,16.0,"Invalid WP multiplicities - AB2C5_mC32_15_c_f_2e4f:Hf-La-O, expected La2HfO10 to be La2HfO5" +mp-768234,La2HfO5,-9.53756655,-3.9672357005,0.0232258976,0.0232258976,GGA,Pnma,AB2C5_oP32_62_c_2c_5c:Hf-La-O,32.0,"Invalid WP multiplicities - AB2C5_oP32_62_c_5c_17c:Hf-La-O, expected La5HfO17 to be La2HfO5" +mp-771121,La2HfO5,-9.5329701819,-3.9626393323,0.0278222657,0.0278222657,GGA,Pnma,AB2C5_oP32_62_c_2c_5c:Hf-La-O,32.0,"Invalid WP multiplicities - AB2C5_oP32_62_c_5c_17c:Hf-La-O, expected La5HfO17 to be La2HfO5" +mp-757094,La2HfO5,-9.4853196588,-3.9149888092,0.0754727888,0.0754727888,GGA,Cmcm,AB2C5_oC32_63_c_f_c2f:Hf-La-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_63_c_f_c6f:Hf-La-O, expected La2HfO13 to be La2HfO5" +mp-1233602,La8Hf4MgO20,-9.1886419827,-3.7386157029,0.1314422155,0.1314422155,GGA,Pm,A4B8CD20_mP33_6_2a2b_4a4b_a_10a10b:Hf-La-Mg-O,33.0,A4B8CD20_mP33_6_2a2b_4a4b_a_10a10b:Hf-La-Mg-O +mp-1234029,La8Hf4MgO20,-9.2530013879,-3.802975108,0.0670828104,0.0670828104,GGA,Pm,A4B8CD20_mP33_6_2a2b_4a4b_a_10a10b:Hf-La-Mg-O,33.0,A4B8CD20_mP33_6_2a2b_4a4b_a_10a10b:Hf-La-Mg-O +mp-1030988,LaHfMg6O8,-6.7216528631,-2.7173787303,0.3919024917,0.3919024917,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Hf-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Hf-La-Mg-O, expected LaHfMg6O12 to be LaHfMg6O8" +mp-1031009,LaHfMg6O8,-6.6289621400000005,-2.6246880072,0.4845932148,0.4845932148,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Hf-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Hf-La-Mg-O, expected LaHfMg6O12 to be LaHfMg6O8" +mp-5599,U5Re5Si9,-9.1758852576,-0.3596985079,0.03957014,0.03957014,GGA,P6_3/m,A5B9C5_hP76_176_cg2h_2h2i_d3h:Re-Si-U,76.0,A5B9C5_hP76_176_cg2h_2h2i_d3h:Re-Si-U +mp-1100971,U4Si3Ru2,-9.09777798,-0.2099558456,0.2383262456,0.2383262456,GGA,Imma,A2B3C4_oI36_74_2e_ei_abg:Ru-Si-U,18.0,"Invalid WP multiplicities - A2B3C4_oI36_74_3e_2ei_2a2b3g:Ru-Si-U, expected U10Si4Ru3 to be U4Si3Ru2" +mp-1216637,UReSi2Ru,-9.220085322,-0.447890163,0.0840519586,0.0840519586,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Re-Ru-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Re-Ru-Si-U +mp-1102216,USiRu,-9.2093480275,-0.5456378342,0.0,-0.0287197292,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Si-U,12.0,ABC_oP12_62_c_c_c:Ru-Si-U +mp-1208764,U2Si7Ru12,-8.7780402105,-0.594569891,0.0,-0.0714044046,GGA,Pnma,A12B7C2_oP84_62_12c_7c_2c:Ru-Si-U,84.0,A12B7C2_oP84_62_12c_7c_2c:Ru-Si-U +mp-1216609,U2Si3Ru,-8.42080559,-0.3986094817,0.0408778008,0.0408778008,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Ru-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Ru-Si-U +mp-1216891,U2Si3Ru,-8.4381386325,-0.4159425242,0.0235447583,0.0235447583,GGA,P-3m1,AB3C2_hP12_164_d_i_ae:Ru-Si-U,12.0,AB3C2_hP12_164_d_i_ae:Ru-Si-U +mp-504442,U4Re7Si6,-10.1450250741,-0.4491875144,0.0,-0.17885288,GGA,Im-3m,A7B6C4_cI34_229_ad_e_c:Re-Si-U,17.0,A7B6C4_cI34_229_ad_e_c:Re-Si-U +mp-1188211,U2Si5Ru3,-8.3247215855,-0.5714598065000001,0.0,-0.0271080654,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Ru-Si-U,20.0,A3B5C2_mC40_15_ef_3ef_f:Ru-Si-U +mp-3388,U(SiRu)2,-8.758471956,-0.620301726,0.0,-0.047477397,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-U,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-U +mp-1197351,U2Re3Si5,-9.078242,-0.3739428275,0.0315929739,0.0315929739,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Re-Si-U,40.0,A3B5C2_tP40_128_dh_egh_h:Re-Si-U +mp-753552,Cu4PtO5,-5.626369865,-0.9062295094,0.0,-0.0066704298,GGA,P2/m,A4B5C_mP20_10_aem2n_5m_m:Cu-O-Pt,20.0,"Invalid WP multiplicities - A4B5C_mP20_10_cem4n_7m_m:Cu-O-Pt, expected Cu6PtO7 to be Cu4PtO5" +mp-1225837,Cu4PtO5,-5.6162831010000005,-0.8961427454,0.010086764,0.0034163342,GGA,P2/m,A4B5C_mP20_10_bdm2n_k2o_m:Cu-O-Pt,20.0,"Invalid WP multiplicities - A4B5C_mP20_10_bc3mn_2j7o_n:Cu-O-Pt, expected Cu5PtO16 to be Cu4PtO5" +mp-1093674,Mg2CuPt,-1.94864627,1.3940787525,1.925348225,1.925348225,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Mg-Pt,4.0,AB2C_oI8_71_a_e_b:Cu-Mg-Pt +mp-1095960,MgCu2Pt,-2.069082235,1.8983744425,2.2541684412,2.2541684412,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Mg-Pt,4.0,A2BC_oI8_71_e_a_b:Cu-Mg-Pt +mp-996954,CuPtO2,-5.8300695650000005,-0.8141402119000001,0.0237798717,0.0237798717,GGA,Pmmm,AB2C_oP4_47_c_i_f:Cu-O-Pt,4.0,AB2C_oP4_47_c_i_f:Cu-O-Pt +mp-997098,CuPtO2,-5.8489592137,-0.8330298606000001,0.004890223,0.004890223,GGA,Pmna,AB2C_oP8_53_a_g_c:Cu-O-Pt,8.0,AB2C_oP8_53_a_g_c:Cu-O-Pt +mp-2227998,MgCuPtO2,-5.363671312,-1.0308718195,0.5686280263,0.5686280263,GGA,Pmm2,ABC2D_oP5_25_a_b_2c_d:Cu-Mg-O-Pt,5.0,ABC2D_oP5_25_a_b_2c_d:Cu-Mg-O-Pt +mp-2226886,MgCuPtO2,-5.059386416,-0.7265869235,0.8729129223000001,0.8729129223000001,GGA,Pmmm,ABC2D_oP5_47_g_a_j_b:Cu-Mg-O-Pt,5.0,ABC2D_oP5_47_g_a_j_b:Cu-Mg-O-Pt +mp-2241009,MgCuPtO2,-5.174004096,-0.8412046035,0.7582952423,0.7582952423,GGA,Pmmm,ABC2D_oP5_47_b_a_j_g:Cu-Mg-O-Pt,5.0,ABC2D_oP5_47_b_a_j_g:Cu-Mg-O-Pt +mp-1096312,MgCuPt2,-2.420613845,2.039824495,2.5159371717,2.5159371717,GGA,I4/mmm,ABC2_tI8_139_a_b_e:Cu-Mg-Pt,4.0,ABC2_tI8_139_a_b_e:Cu-Mg-Pt +mp-1209708,Pr4MgNi,-4.5655242425,-0.1481842842,0.001707255,0.001707255,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ni-Pr,24.0,ABC4_cF96_216_e_e_efg:Mg-Ni-Pr +mp-2926,Pr2MgNi2,-4.824639443,-0.280166459,0.0,-0.0255706328,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Ni-Pr,10.0,AB2C2_tP10_127_a_g_h:Mg-Ni-Pr +mp-2218047,Pr2Mg(NiO3)2,-7.1836424618,-2.4197790811,0.2794428658,0.2794428658,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Pr,11.0,"Invalid WP multiplicities - AB2C6D2_aP11_2_a_cd_6i_i:Mg-Ni-O-Pr, expected Pr2Mg(NiO6)2 to be Pr2Mg(NiO3)2" +mp-2217953,Pr2Mg(NiO3)2,-7.1441762155,-2.3803128348,0.3189091122,0.3189091122,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Ni-O-Pr,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Pr +mp-568529,PrMg2Ni9,-5.2382855858,-0.2380609213,0.0026991352,0.0026991352,GGA,R-3m,A2B9C_hR36_166_c_ach_b:Mg-Ni-Pr,12.0,"Invalid WP multiplicities - A2B9C_hR36_166_c_a2c3h_b:Mg-Ni-Pr, expected PrMg2Ni23 to be PrMg2Ni9" +mp-13436,PrMgNi4,-5.22448754,-0.3075321192,0.0,-0.0405514655,GGA,F-43m,AB4C_cF24_216_a_e_c:Mg-Ni-Pr,6.0,AB4C_cF24_216_a_e_c:Mg-Ni-Pr +mp-1219964,Pr2MgNi9,-5.5456850375,-0.2804082308,0.0057639242,0.0057639242,GGA,R3m,AB9C2_hR36_160_a_3a2b_2a:Mg-Ni-Pr,12.0,AB9C2_hR36_160_a_3a2b_2a:Mg-Ni-Pr +mp-1219993,PrMg3Ni8,-4.8976181183000005,-0.2457148396,0.0183243019,0.0183243019,GGA,R3m,A3B8C_hR36_160_3a_2a2b_a:Mg-Ni-Pr,12.0,"Invalid WP multiplicities - A3B8C_hR36_160_3a_2a6b_a:Mg-Ni-Pr, expected PrMg3Ni20 to be PrMg3Ni8" +mp-1219896,Pr3MgNi14,-5.6604361022,-0.2790521669,0.0,-0.0025588278,GGA,R3m,AB14C3_hR54_160_a_5a3b_3a:Mg-Ni-Pr,18.0,AB14C3_hR54_160_a_5a3b_3a:Mg-Ni-Pr +mp-1520134,PrMg(NiO3)4,-5.9909551394000005,-1.054177525,0.3635498232,0.3635498232,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Mg-Ni-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Mg-Ni-O-Pr, expected PrMg(Ni2O9)2 to be PrMg(NiO3)4" +mp-569425,Pr23Mg4Ni7,-4.7776791663,-0.1652406568,0.0,-0.0069709506,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Ni-Pr,68.0,"Invalid WP multiplicities - A4B7C23_hP68_186_2a3c_2b7c_2a2b35c:Mg-Ni-Pr, expected Pr109Mg11Ni23 to be Pr23Mg4Ni7" +mp-18940,Sr2NiMoO6,-7.4502127255,-2.4817221291,0.0,-0.0227061745,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Mo-Ni-O-Sr,20.0,ABC6D2_tI20_87_a_b_eh_d:Mo-Ni-O-Sr +mp-25053,Sr2NiMoO6,-7.439444802,-2.4709542056,0.0107679235,-0.011938251,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Mo-Ni-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Mo-Ni-O-Sr +mp-1192335,Nd3GaCoS7,-6.2081517438,-1.7584846452,0.0388082249,0.0388082249,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-Nd-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-Nd-S +mp-1247131,Mg2ScMn3S8,-6.2843249436,-1.2764196567,0.0616868146,0.0616868146,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-Sc,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-Sc, expected Mg2ScMn3S16 to be Mg2ScMn3S8" +mp-1247447,Mg2Sc3MnS8,-6.396926745,-1.793242342,0.0347943682,0.0347943682,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mn-S-Sc,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mn-S-Sc, expected Mg2Sc3MnS22 to be Mg2Sc3MnS8" +mp-1246550,MgScMnS4,-6.3374417629,-1.5316469179,0.0548131243,0.0548131243,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mn-S-Sc,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mn-S-Sc, expected MgScMnS12 to be MgScMnS4" +mp-1224719,In14Sn5S26,-4.3940959404,-0.7025597619,0.0998897021,0.0998897021,GGA,Cm,A14B26C5_mC90_8_14a_26a_5a:In-S-Sn,45.0,A14B26C5_mC90_8_14a_26a_5a:In-S-Sn +mp-1225003,In10(Sn2S7)3,-4.5145439427,-0.7729300066,0.0146506005,0.0146506005,GGA,P1,A10B21C6_aP74_1_20a_42a_12a:In-S-Sn,74.0,A10B21C6_aP74_1_20a_42a_12a:In-S-Sn +mp-1224536,In6Sn8S19,-4.5958233021,-0.7419074024000001,0.0172700761,0.0172700761,GGA,P1,A6B19C8_aP33_1_6a_19a_8a:In-S-Sn,33.0,A6B19C8_aP33_1_6a_19a_8a:In-S-Sn +mp-1224567,In10SnS14,-4.3550549016,-0.7775866100000001,0.0203250133,0.0203250133,GGA,Pm,A10B14C_mP25_6_5a5b_7a7b_a:In-S-Sn,25.0,A10B14C_mP25_6_5a5b_7a7b_a:In-S-Sn +mp-646878,In4SnS4,-4.2041448086,-0.697244115,0.0,-0.0368926414,GGA,Pa-3,A4B4C_cP72_205_cd_cd_c:In-S-Sn,72.0,"Invalid WP multiplicities - A4B4C_cP72_205_8c8d_6c6d_c:In-S-Sn, expected In32SnS24 to be In4SnS4" +mp-675124,In4SnS8,-4.4929086315,-0.7923005,0.0137266975,0.0137266975,GGA,R3m,A4B8C_hR39_160_ab_2a2b_a:In-S-Sn,13.0,A4B8C_hR39_160_ab_2a2b_a:In-S-Sn +mp-1077901,InCo3SnS2,-5.7041691714,-0.5100107852,0.0,-0.0310869171,GGA,R-3m,A3BC2D_hR21_166_d_a_c_b:Co-In-S-Sn,7.0,A3BC2D_hR21_166_d_a_c_b:Co-In-S-Sn +mp-19807,Co3(SnS)2,-5.8682989957,-0.4944423059,0.0,-0.0278817922,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Co-S-Sn,7.0,A3B2C2_hR21_166_d_c_ab:Co-S-Sn +mp-1212832,In9Sn4S17,-4.4658959783,-0.7617930208,0.0289238499,0.0289238499,GGA,Pbam,A9B17C4_oP60_55_b2g2h_c3g5h_2g:In-S-Sn,60.0,A9B17C4_oP60_55_b2g2h_c3g5h_2g:In-S-Sn +mp-616255,In2Sn3S7,-4.5917806571,-0.7178446493,0.0372414457,0.0372414457,GGA,P2_1/m,A2B7C3_mP24_11_2e_7e_3e:In-S-Sn,24.0,"Invalid WP multiplicities - A2B7C3_mP24_11_2e_13e_5e:In-S-Sn, expected In2Sn5S13 to be In2Sn3S7" +mp-17445,RbBaMnO4,-6.7713375686,-2.2215834043,0.0,-0.060594838,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-Mn-O-Rb,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-Mn-O-Rb +mp-1246760,Zn7SiN6,-4.7839820534,-0.1938039927,0.1040339988,0.1040339988,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Si-Zn,56.0,A6BC7_oP56_60_3d_c_c3d:N-Si-Zn +mp-1029779,ZnGeN2,-5.9436744875,-0.3047341587,0.0685890844,-0.146885465,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Ge-N-Zn,16.0,AB2C_mP16_14_e_2e_e:Ge-N-Zn +mp-2979,ZnGeN2,-6.0122635719,-0.3733232431,0.0,-0.2154745494,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Ge-N-Zn,16.0,AB2C_oP16_33_a_2a_a:Ge-N-Zn +mp-1100814,ZnGeN2,-5.8163046475,-0.1773643187,0.1959589244,-0.019515625,GGA,P3m1,AB2C_hP4_156_a_ab_b:Ge-N-Zn,4.0,AB2C_hP4_156_a_ab_b:Ge-N-Zn +mp-1247281,ZnSi7N10,-7.8768164233,-1.0655986972,0.1591011711,0.1591011711,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Si-Zn,36.0,A10B7C_mP36_7_10a_7a_a:N-Si-Zn +mp-1247426,Zn2Si5N8,-7.4003796941,-0.9778439094,0.1420058396,0.1420058396,GGA,Pbca,A8B5C2_oP120_61_8c_5c_2c:N-Si-Zn,120.0,A8B5C2_oP120_61_8c_5c_2c:N-Si-Zn +mp-1246318,Zn5(SiN3)2,-5.6058586108,-0.4390644831,0.1655750062,0.1655750062,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Si-Zn,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Si-Zn +mp-1245683,Zn5(SiN3)2,-5.4850838629,-0.3182897352,0.286349754,0.286349754,GGA,P-4b2,A6B2C5_tP52_117_gh2i_i_cd2i:N-Si-Zn,52.0,A6B2C5_tP52_117_gh2i_i_cd2i:N-Si-Zn +mp-1245442,ZnGe7N10,-6.6033785919,-0.1041626006,0.171516734,0.171516734,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Ge-N-Zn,36.0,A7B10C_mP36_7_7a_10a_a:Ge-N-Zn +mp-1246272,Zn2Ge5N8,-6.3059545332,-0.1508488068,0.1638880912,0.1638880912,GGA,Pbca,A5B8C2_oP120_61_5c_8c_2c:Ge-N-Zn,120.0,A5B8C2_oP120_61_5c_8c_2c:Ge-N-Zn +mp-1245376,Zn7GeN6,-4.5689326186,-0.0360609989,0.0934194705,0.0934194705,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Ge-N-Zn,56.0,AB6C7_oP56_60_c_3d_c3d:Ge-N-Zn +mp-1246001,SiGeN2,-7.3322568681,-0.6519229344,0.1784423521,0.1784423521,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Ge-N-Si,16.0,AB2C_mP16_14_e_2e_e:Ge-N-Si +mp-1246712,SiGeN2,-7.2693533403,-0.5890194066000001,0.2413458799,0.2413458799,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ge-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:Ge-N-Si +mp-1020712,ZnSiN2,-6.8020874425,-0.96257457,0.0,-0.1911690304,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Si-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Si-Zn +mp-1029763,ZnSiN2,-6.3420627338,-0.5025498613,0.4600247087,0.2688556783,GGA,Cmce,A2BC_oC32_64_ef_f_f:N-Si-Zn,16.0,A2BC_oC32_64_ef_f_f:N-Si-Zn +mp-1247135,Si7GeN10,-8.0758040633,-1.0777372125,0.117582815,0.117582815,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Ge-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Ge-N-Si +mp-1020663,Si(GeN2)2,-7.2525153893,-0.3928934693,0.2054915176,0.2054915176,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ge-N-Si,14.0,A2B4C_cF56_227_c_e_b:Ge-N-Si +mp-1247285,Zn4GeN4,-4.8141779581,-0.0355132919,0.1481544606,0.1481544606,GGA,Pnna,AB4C4_oP36_52_c_2e_cde:Ge-N-Zn,36.0,AB4C4_oP36_52_c_2e_cde:Ge-N-Zn +mp-1247486,Si2Ge5N6,-6.6441677815,-0.1838027904,0.3939015215,0.3939015215,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ge-N-Si,26.0,A5B6C2_mC52_15_e2f_3f_f:Ge-N-Si +mp-1246703,Zn5(GeN3)2,-5.1186864796,-0.0753216096,0.1667016785,0.1667016785,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Zn,26.0,A2B6C5_mC52_15_f_3f_e2f:Ge-N-Zn +mp-1215642,Zn2SiGeN4,-6.4008931575,-0.6616665569,0.0062823497,0.0062823497,GGA,P2_1,AB4CD2_mP16_4_a_4a_a_2a:Ge-N-Si-Zn,16.0,AB4CD2_mP16_4_a_4a_a_2a:Ge-N-Si-Zn +mp-1223959,LaIn2Ni3,-4.9430945872,-0.3131304864,0.0320347888,0.0320347888,GGA,P-62m,A2BC3_hP18_189_fg_ad_gj:In-La-Ni,18.0,A2BC3_hP18_189_fg_ad_gj:In-La-Ni +mp-21207,LaInNi2,-5.2284974888,-0.41650644,0.0,-0.02276355,GGA,Pmma,ABC2_oP8_51_e_f_af:In-La-Ni,8.0,ABC2_oP8_51_e_f_af:In-La-Ni +mp-1226993,La9Ni5S21,-6.2223780966,-1.6455153952,0.1949824738,0.1949824738,GGA,R3,A9B5C21_hR210_146_6b_4a2b_14b:La-Ni-S,70.0,"Invalid WP multiplicities - A9B5C21_hR210_146_16b_4a2b_34b:La-Ni-S, expected La24Ni5S51 to be La9Ni5S21" +mp-1191038,LaIn2Ni9,-5.4118912513,-0.2068408608,0.0,-0.0070548173,GGA,P4/mbm,A2BC9_tP24_127_g_a_cjk:In-La-Ni,24.0,A2BC9_tP24_127_g_a_cjk:In-La-Ni +mp-20303,LaIn4Ni,-4.012590585,-0.3921108008,0.0,-0.01655042,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-La-Ni,12.0,A4BC_oC24_63_acf_c_c:In-La-Ni +mp-1192186,La5In11Ni6,-4.5083190345,-0.4342564602,0.0,-0.0081878197,GGA,Cmmm,A11B5C6_oC44_65_cghip_aq_iq:In-La-Ni,22.0,A11B5C6_oC44_65_cghip_aq_iq:In-La-Ni +mp-1226684,La2In11Ni15,-4.7424045486,-0.2123122114,0.0311307845,0.0311307845,GGA,Cm,A11B2C15_mC56_8_3a4b_b_7a4b:In-La-Ni,28.0,"Invalid WP multiplicities - A11B2C15_mC56_8_3a8b_b_7a8b:In-La-Ni, expected La2In19Ni23 to be La2In11Ni15" +mp-1211840,LaIn6Ni7,-4.6458080575,-0.2238747543,0.024461046,0.024461046,GGA,Ibam,A6BC7_oI56_72_jk_a_djk:In-La-Ni,28.0,A6BC7_oI56_72_jk_a_djk:In-La-Ni +mp-1191485,La3InNiS7,-6.162899165,-1.8049832656,0.0390545431,0.0390545431,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:In-La-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:In-La-Ni-S +mp-1079757,La2InNi2,-5.276524813,-0.439730553,0.013184175,-0.0132868673,GGA,Pbam,AB2C2_oP10_55_a_h_g:In-La-Ni,10.0,AB2C2_oP10_55_a_h_g:In-La-Ni +mp-1106017,La2InNi2,-5.289708988,-0.452914728,0.0,-0.0264710423,GGA,Pbam,AB2C2_oP20_55_g_2h_2g:In-La-Ni,20.0,AB2C2_oP20_55_g_2h_2g:In-La-Ni +mp-1095144,La2InNi2,-5.281044705,-0.444250445,0.008664283,-0.0178067593,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:In-La-Ni,10.0,AB2C2_tP10_127_a_h_g:In-La-Ni +mp-1191491,La4NiS7,-6.5685655692000005,-2.0286227218,0.1542347726,0.1542347726,GGA,P6_3,A4BC7_hP24_173_bc_a_b2c:La-Ni-S,24.0,A4BC7_hP24_173_bc_a_b2c:La-Ni-S +mp-607848,La(In2Ni)3,-4.1686790055,-0.290027053,0.0151410995,0.0151410995,GGA,Pmmn,A6BC3_oP20_59_ab2e_a_be:In-La-Ni,20.0,"Invalid WP multiplicities - A6BC3_oP20_59_2a2b6e_a_be:In-La-Ni, expected LaIn16Ni3 to be La(In2Ni)3" +mp-1078593,LaInNi,-4.9578256222,-0.4685497839,0.0,-0.0138943208,GGA,P-62m,ABC_hP9_189_f_g_bc:In-La-Ni,9.0,ABC_hP9_189_f_g_bc:In-La-Ni +mp-974045,La11In9Ni4,-4.7573919992,-0.4998178973,0.0,-0.0165397654,GGA,Cmmm,A9B11C4_oC48_65_c2q_a2gip_q:In-La-Ni,24.0,A9B11C4_oC48_65_c2q_a2gip_q:In-La-Ni +mp-1212410,LaInNi5,-5.5194711996,-0.2925605946,0.0,-0.0142235275,GGA,P6_3/mmc,ABC5_hP28_194_f_ac_bdfk:In-La-Ni,28.0,ABC5_hP28_194_f_ac_bdfk:In-La-Ni +mp-1204388,LaMoClO4,-8.059944158,-2.7146657695,0.0,-0.0191142308,GGA+U,P2_1/c,ABCD4_mP56_14_2e_2e_2e_8e:Cl-La-Mo-O,56.0,ABCD4_mP56_14_2e_2e_2e_8e:Cl-La-Mo-O +mp-1047153,ZnMoAsO5,-6.9407288866,-1.7534844264,0.0980741771,0.0980741771,GGA+U,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Mo-O-Zn,32.0,ABC5D_mP32_4_3a_3a_15a_3a:As-Mo-O-Zn +mp-1042596,CaCoMo2O7,-7.8925867355,-1.9442195651,0.281243748,0.281243748,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Ca-Co-Mo-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_3e_2e_7e_17e:Ca-Co-Mo-O, expected Ca3Co2Mo7O17 to be CaCoMo2O7" +mp-866692,La3MnAlS7,-6.7388888163,-2.0163253575,0.0,-0.0157633182,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Mn-S +mp-1183003,Ag2Au3N6Cl17,-3.1015926046,0.3602234945,0.8022807944,0.8022807944,GGA,Immm,A2B3C17D6_oI56_71_f_ae_ceg2mn_hn:Ag-Au-Cl-N,28.0,A2B3C17D6_oI56_71_f_ae_ceg2mn_hn:Ag-Au-Cl-N +mp-24051,ErHCl,-4.8804862967,-1.6108257917,0.0,-0.0217949333,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-Er-H,6.0,ABC_hR18_166_c_c_c:Cl-Er-H +mp-1222333,LiEr4(HCl)4,-4.5834255292,-1.4184371503,0.1184586177,0.1184586177,GGA,R-3m,A4B4C4D_hR39_166_2c_2c_2c_a:Cl-Er-H-Li,13.0,"Invalid WP multiplicities - A4B4C4D_hR39_166_3c_3c_3c_a:Cl-Er-H-Li, expected LiEr6(HCl)6 to be LiEr4(HCl)4" +mp-1111803,Na2LiBiI6,-2.741723676,-1.0182576076,0.1919603715,0.1919603715,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-I-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-I-Li-Na +mp-1110968,Cs2NaMoF6,-5.519975272,-2.9771898767,0.0,-0.1458890275,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mo-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mo-Na +mp-1226769,CeYIn6,-4.0320107288,-0.4183028977,0.0,-0.0072791013,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ce-In-Y,8.0,AB6C_tP8_123_a_cdi_b:Ce-In-Y +mp-621176,YInAu,-4.9182696644,-0.7542573833,0.0,-0.0497017694,GGA,P-62m,ABC_hP9_189_ad_g_f:Au-In-Y,9.0,ABC_hP9_189_ad_g_f:Au-In-Y +mp-1227521,Ce3Y(InAu2)4,-4.4779259437,-0.6364553501,0.0168734,0.0168734,GGA,R-3m,A8B3C4D_hR48_166_4c_ac_2c_b:Au-Ce-In-Y,16.0,"Invalid WP multiplicities - A8B3C4D_hR48_166_8c_a2c_2c_b:Au-Ce-In-Y, expected Ce5Y(InAu4)4 to be Ce3Y(InAu2)4" +mp-1079933,Y2InAu2,-5.265376141,-0.8188981497000001,0.0,-0.0120730283,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Au-In-Y,10.0,A2BC2_tP10_127_g_a_h:Au-In-Y +mp-984048,CeYIn2,-4.89895332,-0.4232213879,0.0,-0.025153085,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-In-Y,4.0,AB2C_cF16_225_a_c_b:Ce-In-Y +mp-22493,YInAu2,-4.646253635,-0.7047739242000001,0.0,-0.0282789831,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-In-Y,4.0,A2BC_cF16_225_c_a_b:Au-In-Y +mp-1225369,Dy(VCo5)2,-7.3164872146,-0.09665822,0.0669864758,0.0669864758,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Co-Dy-V,13.0,A10BC2_oI26_71_efhk_a_g:Co-Dy-V +mp-1225176,DyV2(FeCo)5,-7.8326108977,-0.0890498204,0.0570659259,0.0570659259,GGA,Imm2,A5BC5D2_oI26_44_a2c_b_ae_2b:Co-Dy-Fe-V,13.0,A5BC5D2_oI26_44_a2c_b_ae_2b:Co-Dy-Fe-V +mp-1225356,Dy(VFe5)2,-8.3384966538,-0.0712034938,0.0290839162,0.0290839162,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Dy-Fe-V,13.0,AB10C2_oI26_71_a_efhk_g:Dy-Fe-V +mp-1040014,LiMg30BiO32,-6.2562158106,-2.9429056191000003,0.0362001014,0.0362001014,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Li-Mg-O, expected LiMg90BiO80 to be LiMg30BiO32" +mp-1040009,LiMg30BiO32,-6.2561189091,-2.9428087176,0.036297003,0.036297003,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Li-Mg-O, expected LiMg110BiO72 to be LiMg30BiO32" +mp-1031076,LiMg6BiO8,-6.0636642312,-2.6308766071000003,0.123425377,0.123425377,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Li-Mg-O, expected LiMg6BiO12 to be LiMg6BiO8" +mp-1031101,LiMg6BiO8,-6.0191279362,-2.5863403121,0.167961672,0.167961672,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Li-Mg-O, expected LiMg6BiO12 to be LiMg6BiO8" +mp-1035156,LiMg14BiO16,-6.1767616962,-2.8236256939,0.0805454479,0.0805454479,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Li-Mg-O, expected LiMg18BiO20 to be LiMg14BiO16" +mp-1035174,LiMg14BiO16,-6.1756295294,-2.822493527,0.0816776148,0.0816776148,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Li-Mg-O, expected LiMg30BiO32 to be LiMg14BiO16" +mp-1228982,CsMnFeF6,-6.225310705,-2.892387074,0.0,-0.0195715839,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Fe-Mn,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Fe-Mn, expected CsMnFeF12 to be CsMnFeF6" +mp-1190259,Ba3UFeSe6,-5.96369416,-1.7369828049,0.0164487104,0.0164487104,GGA,R-3c,A3BC6D_hR66_167_e_b_f_a:Ba-Fe-Se-U,22.0,A3BC6D_hR66_167_e_b_f_a:Ba-Fe-Se-U +mp-1222852,LaNdZr2O7,-9.4604250605,-3.8762089899,0.0004459843,0.0004459843,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:La-Nd-O-Zr,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:La-Nd-O-Zr, expected LaNdZr2O13 to be LaNdZr2O7" +mp-1223092,La3NdZr4O14,-9.4849892745,-3.8931432189,0.0002562015,0.0002562015,GGA,R-3m,A3BC14D4_hR66_166_d_a_c2h_be:La-Nd-O-Zr,22.0,"Invalid WP multiplicities - A3BC14D4_hR66_166_d_a_c9h_be:La-Nd-O-Zr, expected La3NdZr4O56 to be La3NdZr4O14" +mp-1220557,PrErFe14B,-7.9898323074,-0.0716962323,0.0166138659,0.0166138659,GGA,P4_2/mnm,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Pr,68.0,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Pr +mp-1178267,La2EuO4,-9.2968487371,-3.5945957579,0.0702270795,0.0702270795,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Eu-La-O,14.0,AB2C4_cF56_227_a_d_e:Eu-La-O +mp-1223280,LaEu3(NiO3)4,-8.0809435105,-2.1715523225,0.0078997138,0.0078997138,GGA+U,Pm,A3BC4D12_mP20_6_a2b_a_2c_2a2b4c:Eu-La-Ni-O,20.0,"Invalid WP multiplicities - A3BC4D12_mP20_6_a2b_a_4c_2a2b8c:Eu-La-Ni-O, expected LaEu3(Ni2O5)4 to be LaEu3(NiO3)4" +mp-21510,K2NaInAs2,-3.0903304092,-0.4881231213,0.0,-0.061421478,GGA,Ibam,A2BC2D_oI24_72_j_a_j_b:As-In-K-Na,12.0,A2BC2D_oI24_72_j_a_j_b:As-In-K-Na +mp-1207346,Cu3NiF6,-4.396866976,-1.4422039265,0.34136492,0.34136492,GGA+U,P-1,A3B6C_aP10_2_bce_3i_a:Cu-F-Ni,10.0,A3B6C_aP10_2_bce_3i_a:Cu-F-Ni +mp-1238911,Cu3NiF6,-4.596375401,-1.6417123515,0.141856495,0.141856495,GGA+U,P-1,A3B6C_aP10_2_bce_3i_d:Cu-F-Ni,10.0,A3B6C_aP10_2_bce_3i_d:Cu-F-Ni +mp-1093585,LiCu2Ni,-2.08461781,1.8872504117,1.9103695606,1.9103695606,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Li-Ni,4.0,A2BC_oI8_71_e_a_b:Cu-Li-Ni +mp-1111560,Li2CuNiF6,-4.785026466,-2.2684201772,0.2430593535,0.2430593535,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Ni,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Ni +mp-1111253,Na2AlHgF6,-4.611201996,-2.7948839373,0.2716858711,0.2716858711,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Na +mp-1206333,TbCr2Si2C,-7.7751674417,-0.4385403429,0.0,-0.0093571372,GGA,P4/mmm,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Tb,6.0,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Tb +mp-1025266,Tb2Cr2C3,-8.3295709857,-0.2923104689,0.0,-0.0695243388,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Tb,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Tb +mp-8832,Tb(CrSi)2,-7.352983914,-0.394764494,0.1148526308,0.1148526308,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-Tb +mp-1208920,Sm2CoPtO6,-7.763786139,-2.5341105738,0.0050072013,0.0050072013,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-Pt-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Co-O-Pt-Sm +mp-1229239,BiRh7Pb2O15,-6.7401564534,-1.2595056922,0.0181714431,0.0181714431,GGA,Cmcm,AB15C2D7_oC200_63_g_2f3g5h_2cg_abde2h:Bi-O-Pb-Rh,100.0,"Invalid WP multiplicities - AB15C2D7_oC200_63_g_8f11g29h_3c2g_2ab2d3e3h:Bi-O-Pb-Rh, expected Bi2Rh25(PbO22)7 to be BiRh7Pb2O15" +mp-559109,ErGeBiO5,-7.3859855798,-2.6654006609,0.0,-0.0269739968,GGA,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Er-Ge-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_37c:Bi-Er-Ge-O, expected ErGeBiO37 to be ErGeBiO5" +mp-1183925,CsCdO3,-4.033011278,-0.7013396248,0.433216832,0.433216832,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-Cs-O,5.0,ABC3_cP5_221_b_a_c:Cd-Cs-O +mp-1200495,Cs2Cd2(MoO4)3,-7.0275966804,-1.9995019894,0.0,-0.0354158937,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:Cd-Cs-Mo-O,76.0,A2B2C3D12_cP76_198_2a_2a_b_4b:Cd-Cs-Mo-O +mp-555074,Hg3AsS4Br,-3.1223229822,-0.4924355047,0.0017140883,0.0017140883,GGA,P6_3mc,ABC3D4_hP18_186_a_b_c_bc:As-Br-Hg-S,18.0,"Invalid WP multiplicities - ABC3D4_hP18_186_a_b_c_2b2c:As-Br-Hg-S, expected Hg3AsS8Br to be Hg3AsS4Br" +mp-685555,HgAsS2,-3.584042974,-0.2751183481,0.1069918843,0.1069918843,GGA,Pc,ABC2_mP144_7_18a_18a_36a:As-Hg-S,144.0,"Invalid WP multiplicities - ABC2_mP144_7_32a_36a_72a:As-Hg-S, expected Hg9(As4S9)2 to be HgAsS2" +mp-2218332,MgCo4(AsS)4,-5.3762656562,-0.3596637856,0.3729359625,0.3729359625,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:As-Co-Mg-S,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:As-Co-Mg-S +mp-2218752,MgCo4(AsS)4,-5.4526034554,-0.4360015848,0.2965981632,0.2965981632,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:As-Co-Mg-S,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:As-Co-Mg-S +mp-2218392,MgCo4(AsS)4,-5.3513832738,-0.3347814033,0.3978183448,0.3978183448,GGA,R3,A4B4CD4_hR39_146_ab_ab_a_ab:As-Co-Mg-S,13.0,A4B4CD4_hR39_146_ab_ab_a_ab:As-Co-Mg-S +mp-2218287,MgCo4(AsS)4,-5.3585165846,-0.341914714,0.390685034,0.390685034,GGA,R3,A4B4CD4_hR39_146_ab_ab_a_ab:As-Co-Mg-S,13.0,"Invalid WP multiplicities - A4B4CD4_hR39_146_a2b_a2b_a_a2b:As-Co-Mg-S, expected MgCo7(AsS)7 to be MgCo4(AsS)4" +mp-569003,Mg2Co12As7,-6.044828973,-0.277485998,0.0,-0.0160259043,GGA,Pnma,A7B12C2_oP84_62_7c_12c_2c:As-Co-Mg,84.0,"Invalid WP multiplicities - A7B12C2_oP84_62_26c_45c_4c:As-Co-Mg, expected Mg4Co45As26 to be Mg2Co12As7" +mp-2226136,MgCo2(AsS)2,-5.2330913543,-0.4605124709,0.3712883489,0.3712883489,GGA,Pm,A2B2CD2_mP7_6_ab_ab_a_ab:As-Co-Mg-S,7.0,A2B2CD2_mP7_6_ab_ab_a_ab:As-Co-Mg-S +mp-2226524,MgCo2(AsS)2,-5.2904992014,-0.517920318,0.3138805017,0.3138805017,GGA,Pm,A2B2CD2_mP7_6_ab_ab_a_ab:As-Co-Mg-S,7.0,A2B2CD2_mP7_6_ab_ab_a_ab:As-Co-Mg-S +mp-1226047,CoAsS,-5.8006770183,-0.4993816627,0.1174835017,0.0362207355,GGA,P2/m,ABC_mP6_10_m_ce_n:As-Co-S,6.0,ABC_mP6_10_m_ae_n:As-Co-S +mp-3699,CoAsS,-5.7172370183,-0.4159416627,0.2009235017,0.1196607355,GGA,P2_1/c,ABC_mP12_14_e_ad_e:As-Co-S,12.0,"Invalid WP multiplicities - ABC_mP12_14_e_2ad_e:As-Co-S, expected Co3(AsS)2 to be CoAsS" +mp-613314,CoAsS,-5.6200429242,-0.3187475685,0.2981175958,0.2168548296,GGA,Pca2_1,ABC_oP12_29_a_a_a:As-Co-S,12.0,ABC_oP12_29_a_a_a:As-Co-S +mp-4627,CoAsS,-5.9175911817,-0.616295826,0.0005693383,-0.0806934279,GGA,Pca2_1,ABC_oP12_29_a_a_a:As-Co-S,12.0,ABC_oP12_29_a_a_a:As-Co-S +mp-553946,CoAsS,-5.91816052,-0.6168651644,0.0,-0.0812627662,GGA,Pmn2_1,ABC_oP6_31_a_a_a:As-Co-S,6.0,ABC_oP6_31_a_a_a:As-Co-S +mp-16363,CoAsS,-5.9141386967,-0.612843341,0.0040218233,-0.0772409429,GGA,P2_13,ABC_cP12_198_a_a_a:As-Co-S,12.0,ABC_cP12_198_a_a_a:As-Co-S +mp-1218285,SrEuScO4,-8.7831336057,-3.3451737195,0.1015407915,0.1015407915,GGA,I4mm,AB4CD_tI14_107_a_2ab_a_a:Eu-O-Sc-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Eu-O-Sc-Sr +mp-1100775,SrEuO3,-8.043778978,-2.6864667006,0.1835555969,0.1835555969,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Eu-O-Sr,5.0,AB3C_cP5_221_b_c_a:Eu-O-Sr +mp-755714,SrEuO2,-8.5509678175,-3.0909996485,0.0176707225,0.0176707225,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-O-Sr,4.0,AB2C_hR12_166_a_c_b:Eu-O-Sr +mp-769800,SrEu4O5,-9.861124094,-3.116029673,0.011206725,0.011206725,GGA,I4/m,A4B5C_tI20_87_h_ah_b:Eu-O-Sr,10.0,A4B5C_tI20_87_h_ah_b:Eu-O-Sr +mp-1046309,Mg4Sn5(TeO6)3,-6.109541752,-1.9455652868,0.253826818,0.253826818,GGA,C2/c,A4B18C5D3_mC120_15_2f_9f_e2f_af:Mg-O-Sn-Te,60.0,"Invalid WP multiplicities - A4B18C5D3_mC120_15_6f_35f_e4f_c2f:Mg-O-Sn-Te, expected Mg12Sn9(TeO14)5 to be Mg4Sn5(TeO6)3" +mp-1113863,Rb2TlMoF6,-5.393408215,-2.7295846943,0.0,-0.0150815491,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Mo-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Mo-Rb-Tl +mp-9319,Ba2PrPtO6,-6.999027718,-2.5620155958,0.0,-0.0821653299,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Pt,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Pt +mp-1233553,Ba4Mg(GeO3)4,-6.7340503205,-2.5850714745,0.1297184238,0.1297184238,GGA,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Mg-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Ba-Ge-Mg-O +mp-1190545,Ba2MgGe2O7,-6.9031092921,-2.7938504072,0.0,-0.0375398675,GGA,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Ba-Ge-Mg-O,24.0,A2B2CD7_tP24_113_e_e_a_cef:Ba-Ge-Mg-O +mp-1038214,Mg30NbAlO32,-6.3864379398,-2.9466047972,0.0895585409,0.0895585409,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Al-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Al-Mg-Nb-O, expected Mg90NbAlO80 to be Mg30NbAlO32" +mp-1038196,Mg30NbAlO32,-6.3855949419,-2.9457617992,0.0904015388,0.0904015388,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Al-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Al-Mg-Nb-O, expected Mg110NbAlO72 to be Mg30NbAlO32" +mp-1028254,Mg14NbAl,-2.2110951456,0.0545799525,0.1190086062,0.1190086062,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Nb, expected Mg18NbAl to be Mg14NbAl" +mp-1028243,Mg14NbAl,-2.2002895638,0.0653855344,0.129814188,0.129814188,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Nb, expected Mg26NbAl to be Mg14NbAl" +mp-2218439,MgNb2Al2O8,-8.2769457646,-2.9794418046,0.1801175666,0.1801175666,GGA,Cm,A2BC2D8_mC26_8_2a_a_2a_8a:Al-Mg-Nb-O,13.0,A2BC2D8_mC26_8_2a_a_2a_8a:Al-Mg-Nb-O +mp-2218790,MgNb2Al2O8,-8.2286676423,-2.9311636823,0.2283956889,0.2283956889,GGA,C2/m,A2BC2D8_mC26_12_i_a_i_4i:Al-Mg-Nb-O,13.0,A2BC2D8_mC26_12_i_a_i_4i:Al-Mg-Nb-O +mp-1023273,Mg6NbAl,-2.8197820894000003,0.1112880569,0.2161546961,0.2161546961,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Nb, expected Mg12NbAl to be Mg6NbAl" +mp-1023296,Mg6NbAl,-2.8254460537,0.1056240925,0.2104907317,0.2104907317,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Nb, expected Mg12NbAl to be Mg6NbAl" +mp-1033029,Mg6NbAlO8,-6.5202034287,-2.581324,0.4012084541,0.4012084541,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Al-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Al-Mg-Nb-O, expected Mg6NbAlO12 to be Mg6NbAlO8" +mp-1033032,Mg6NbAlO8,-6.5493463056,-2.6104668769,0.3720655773,0.3720655773,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Al-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Al-Mg-Nb-O, expected Mg6NbAlO12 to be Mg6NbAlO8" +mp-1036525,Mg14NbAlO16,-6.4398244916,-2.8336425869,0.1846437899,0.1846437899,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Al-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Al-Mg-Nb-O, expected Mg18NbAlO20 to be Mg14NbAlO16" +mp-1036521,Mg14NbAlO16,-6.4324461394,-2.8262642347,0.1920221421,0.1920221421,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Al-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Al-Mg-Nb-O, expected Mg30NbAlO32 to be Mg14NbAlO16" +mp-1228824,AlZnGaS4,-4.6678347829,-1.1565183643,0.0037747589,0.0037747589,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Al-Ga-S-Zn,7.0,ABC4D_tI14_82_a_c_g_b:Al-Ga-S-Zn +mp-1223191,La6Mn(SiS7)2,-6.6908717204,-2.0152633675,0.0,-0.0313182193,GGA,P3,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Mn-S-Si,23.0,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Mn-S-Si +mp-1215540,ZnSiAsP,-4.434376065,-0.2450054271,0.0101079175,0.0101079175,GGA,I2_12_12_1,ABCD_oI16_24_b_c_a_a:As-P-Si-Zn,8.0,ABCD_oI16_24_b_c_a_a:As-P-Si-Zn +mp-1215555,Zn2Si2As3P,-4.3162910263,-0.221193401,0.0047620919,0.0047620919,GGA,C2,A3BC2D2_mC16_5_ac_b_c_c:As-P-Si-Zn,8.0,A3BC2D2_mC16_5_ac_b_c_c:As-P-Si-Zn +mp-4763,ZnSiP2,-4.6913457113,-0.3134290479,0.0,-0.1270673722,GGA,I-42d,A2BC_tI16_122_d_a_b:P-Si-Zn,8.0,A2BC_tI16_122_d_a_b:P-Si-Zn +mp-1064667,ZnSiP2,-3.894484195,0.4834324683,0.7968615163,0.6697941441,GGA,Fm-3m,A2BC_cF16_225_c_a_b:P-Si-Zn,4.0,A2BC_cF16_225_c_a_b:P-Si-Zn +mp-1215549,Zn2Si2AsP3,-4.5625821663,-0.2789385156,0.0053326806,0.0053326806,GGA,C2,AB3C2D2_mC16_5_a_bc_c_c:As-P-Si-Zn,8.0,AB3C2D2_mC16_5_a_bc_c_c:As-P-Si-Zn +mp-1195195,CeTl(PSe3)2,-4.9260743675,-0.9162937494,0.0,-0.0404719331,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ce-P-Se-Tl,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ce-P-Se-Tl +mp-1110935,K2NaCeBr6,-3.982399743,-2.1029415108,0.0627750618,0.0627750618,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ce-K-Na +mp-1111244,K2LiSmCl6,-4.410079382,-2.4161266964,0.0496093062,0.0496093062,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Sm +mp-1112511,Cs2RbTaF6,-5.541619504,-2.9318204788,0.1724540169,0.1724540169,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Ta +mp-1111452,CsRb2TaF6,-5.487474364,-2.8691621688,0.262661504,0.262661504,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Ta +mp-1219062,SmV2(FeCo)5,-7.816601226199999,-0.0644402031,0.0581862142,0.0581862142,GGA,Imm2,A5B5CD2_oI26_44_a2c_ae_b_2b:Co-Fe-Sm-V,13.0,A5B5CD2_oI26_44_a2c_ae_b_2b:Co-Fe-Sm-V +mp-1219230,Sm2VCo16,-7.04674494,-0.0859995158,0.0094646573,0.0094646573,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Co-Sm-V,19.0,A16B2C_hR57_160_a3bc_2a_a:Co-Sm-V +mp-1111993,K2ScAuBr6,-3.811376688,-1.6968447901,0.0785019299,0.0785019299,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Sc +mp-11914,NaLa2IrO6,-7.6755820695,-2.7042714744,0.0,-0.0285809084,GGA,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-La-Na-O,20.0,AB2CD6_mP20_14_a_e_b_3e:Ir-La-Na-O +mp-1110867,K2LiNdCl6,-4.403628403,-2.4047195877,0.0621810953,0.0621810953,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Nd +mp-1183905,EuErO3,-9.080307512,-3.1473501633,0.4741638099,0.4741638099,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Er-Eu-O,5.0,ABC3_cP5_221_b_a_c:Er-Eu-O +mp-1212745,EuEr2O4,-9.3677392432,-3.7707114911,0.0247906325,0.0247906325,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Er-Eu-O,28.0,A2BC4_oP28_62_2c_c_4c:Er-Eu-O +mp-1206839,Eu2ErTaO6,-10.172297243,-3.5103340122,0.045491701,0.045491701,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Er-Eu-O-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Er-Eu-O-Ta +mp-7940,KNbSe2,-5.7707870838,-1.2199053482,0.0290433236,0.0290433236,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:K-Nb-Se,8.0,ABC2_hP8_194_a_b_f:K-Nb-Se +mp-631304,KNb2Se,-5.05391704,1.1483130862,1.8786847066,1.8786847066,GGA,Fm-3m,AB2C_cF16_225_a_c_b:K-Nb-Se,4.0,AB2C_cF16_225_a_c_b:K-Nb-Se +mp-17283,K3NbSe4,-4.7827279703,-1.3557094964,0.0,-0.1190656639,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:K-Nb-Se,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_cd_c_2c2d:K-Nb-Se, expected K3NbSe6 to be K3NbSe4" +mp-567177,KNb(AgSe2)2,-4.7570131225,-0.8994553845000001,0.0,-0.0433837867,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Ag-K-Nb-Se,16.0,"Invalid WP multiplicities - A2BCD4_oC32_40_ab_b_b_3b3c:Ag-K-Nb-Se, expected KNbAg2Se9 to be KNb(AgSe2)2" +mp-28428,K3Nb2Se11,-4.9471091253,-1.0728070519,0.0,-0.0145666977,GGA,P2_1/c,A3B2C11_mP64_14_3e_2e_11e:K-Nb-Se,64.0,A3B2C11_mP64_14_3e_2e_11e:K-Nb-Se +mp-1223754,K(Nb3Se4)2,-7.1277234313,-1.1486886975,0.0,-0.015011373,GGA,P-3,AB6C8_hP15_147_a_g_dg:K-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:K-Nb-Se +mp-1224047,K2(NbSe2)3,-6.1484981223,-1.2848452241,0.0,-0.0412973163,GGA,Amm2,A2B3C6_oC44_38_de_cf_2c2f:K-Nb-Se,22.0,"Invalid WP multiplicities - A2B3C6_oC44_38_de_2c3f_4c4f:K-Nb-Se, expected K(Nb2Se3)2 to be K2(NbSe2)3" +mp-28746,Pr3RuI3,-5.2011069829,-1.1957900036,0.0,-0.0440091379,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:I-Pr-Ru,14.0,A3B3C_mP14_11_3e_3e_e:I-Pr-Ru +mp-28736,Pr4RuI5,-4.892487967,-1.316002236,0.0029785228,0.0029785228,GGA,C2/m,A5B4C_mC20_12_a2i_2i_c:I-Pr-Ru,10.0,A5B4C_mC20_12_a2i_2i_d:I-Pr-Ru +mp-1213729,Cs2Pr10Ru2I17,-4.5026238706,-1.4963046666,0.0,-0.0299776345,GGA,C2/m,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-Pr-Ru,31.0,A2B17C10D2_mC62_12_g_a2i3j_3ij_i:Cs-I-Pr-Ru +mp-1223933,K4Sr2SnAs4,-3.4354018395,-0.6657083696,0.0124572908,-0.0096188821,GGA,Cc,A4B4CD2_mC44_9_4a_4a_a_2a:As-K-Sn-Sr,22.0,"Invalid WP multiplicities - A4B4CD2_mC44_9_7a_7a_a_4a:As-K-Sn-Sr, expected K7Sr4SnAs7 to be K4Sr2SnAs4" +mp-570311,K4Sr2SnAs4,-3.4478591303,-0.6781656603,0.0,-0.0220761728,GGA,P6_3cm,A4B4CD2_hP66_185_2cd_2cd_c_d:As-K-Sn-Sr,66.0,"Invalid WP multiplicities - A4B4CD2_hP66_185_11c6d_8c7d_c_d:As-K-Sn-Sr, expected K22Sr2SnAs23 to be K4Sr2SnAs4" +mp-11007,CaPSe3,-4.750454132,-1.1691267681,0.0,-0.0622136348,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ca-P-Se,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_5e:Ca-P-Se, expected CaPSe5 to be CaPSe3" +mp-1227124,CaMg(PSe3)2,-4.556936461,-1.0161410801,0.012480282,0.012480282,GGA,R3,ABC2D6_hR30_146_a_a_2a_2b:Ca-Mg-P-Se,10.0,ABC2D6_hR30_146_a_a_2a_2b:Ca-Mg-P-Se +mp-30943,MgPSe3,-4.388379354,-0.8881159561,0.0,-0.076919305,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-P-Se,10.0,ABC3_hR30_148_c_c_f:Mg-P-Se +mp-555507,Sr10Al2ClF25,-6.0536445989,-4.1057078347,0.0075479922,0.0075479922,GGA,Fd-3m,A2BC25D10_cF304_227_c_b_a2g_ef:Al-Cl-F-Sr,76.0,"Invalid WP multiplicities - A2BC25D10_cF304_227_c_b_2a26g_4e4f:Al-Cl-F-Sr, expected Sr40Al2ClF314 to be Sr10Al2ClF25" +mp-1206876,Sr2Cl2F,-3.597905528,-1.8003976892,1.2234728163,1.2234728163,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-F-Sr,5.0,A2BC2_tP5_123_g_a_g:Cl-F-Sr +mp-22957,SrClF,-5.4089861417,-3.5924831147000003,0.0,-0.0289028283,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Sr,6.0,ABC_tP6_129_c_a_c:Cl-F-Sr +mp-10347,CsCa2Ta3O10,-8.9436715294,-3.321995146,0.023552848,0.023552848,GGA,P4/mmm,A2BC10D3_tP16_123_h_c_e2gi_bg:Ca-Cs-O-Ta,16.0,A2BC10D3_tP16_123_h_c_e2gi_bg:Ca-Cs-O-Ta +mp-561942,Cs3TaO8,-6.2616281567,-1.7518369536,0.0035193203,0.0035193203,GGA,I-42m,A3B8C_tI24_121_ad_2i_b:Cs-O-Ta,12.0,"Invalid WP multiplicities - A3B8C_tI24_121_ad_4i_b:Cs-O-Ta, expected Cs3TaO16 to be Cs3TaO8" +mp-562434,Cs3Ta5O14,-9.1437566433,-3.1788140422,0.0,-0.066294915,GGA,Pbam,A3B14C5_oP88_55_2gh_e2g3h4i_g2hi:Cs-O-Ta,88.0,"Invalid WP multiplicities - A3B14C5_oP88_55_3g7h_4e12g8h27i_8g3h6i:Cs-O-Ta, expected Cs10Ta23O78 to be Cs3Ta5O14" +mp-542069,Cs8Ta6O19,-8.1594470709,-2.9383267597,0.0,-0.1574647043,GGA,I4/m,A8B19C6_tI66_87_i_ae2hi_eh:Cs-O-Ta,33.0,A8B19C6_tI66_87_i_ae2hi_eh:Cs-O-Ta +mp-1185552,CsTaO3,-8.29975521,-2.7811059828,0.2534156899,0.2534156899,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Ta,5.0,AB3C_cP5_221_a_c_b:Cs-O-Ta +mp-555212,Ba2InBrO3,-5.8581843607,-2.574937493,0.0,-0.0139897879,GGA,P4/nmm,A2BCD3_tP14_129_2c_c_c_cf:Ba-Br-In-O,14.0,"Invalid WP multiplicities - A2BCD3_tP14_129_2c_c_c_2c2f:Ba-Br-In-O, expected Ba2InBrO6 to be Ba2InBrO3" +mp-556004,Ba3In2Br2O5,-5.7552853542,-2.4969693128,0.0078729461,0.0078729461,GGA,I4/mmm,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-Br-In-O,12.0,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-Br-In-O +mp-1212086,K4Hg3Ge20,-3.7182851489,-0.0955742606,0.0034240362,0.0034240362,GGA,Pm-3n,A20B3C4_cP54_223_ik_c_ad:Ge-Hg-K,54.0,A20B3C4_cP54_223_ik_c_ad:Ge-Hg-K +mp-17307,K2Hg3(GeSe4)2,-3.446487876,-0.7568087746000001,0.0,-0.0055610827,GGA,Aea2,A2B3C2D8_oC60_41_b_ab_b_4b:Ge-Hg-K-Se,30.0,"Invalid WP multiplicities - A2B3C2D8_oC60_41_b_ab_b_5b:Ge-Hg-K-Se, expected K2Hg3(GeSe5)2 to be K2Hg3(GeSe4)2" +mp-504810,Rb2Li14Pb3O14,-5.2140576527,-1.9086766998,0.0,-0.0162038559,GGA,Immm,A14B14C3D2_oI66_71_hlo_e2lm_ai_f:Li-O-Pb-Rb,33.0,A14B14C3D2_oI66_71_hlo_e2lm_ai_f:Li-O-Pb-Rb +mp-756746,Rb4PbO4,-4.5747056989,-1.5278681206,0.0,-0.1084065353,GGA,P-1,A4BC4_aP18_2_4i_i_4i:O-Pb-Rb,18.0,"Invalid WP multiplicities - A4BC4_aP18_2_7i_i_7i:O-Pb-Rb, expected Rb7PbO7 to be Rb4PbO4" +mp-779104,Rb4PbO4,-4.5738048203,-1.5269672419,0.0009008786,-0.1075056567,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:O-Pb-Rb,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_15e_e_15e:O-Pb-Rb, expected Rb15PbO15 to be Rb4PbO4" +mp-771328,Rb4PbO4,-4.5641782711,-1.5173406928,0.0105274278,-0.0978791076,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:O-Pb-Rb,36.0,"Invalid WP multiplicities - A4BC4_mP36_14_13e_e_15e:O-Pb-Rb, expected Rb15PbO13 to be Rb4PbO4" +mp-756795,Rb3PbO3,-4.4829876236,-1.4123711348,0.1056785936,0.1056785936,GGA,C2/m,A3BC3_mC28_12_ij_i_ghi:O-Pb-Rb,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_2ij_i_gh2i:O-Pb-Rb, expected Rb4PbO4 to be Rb3PbO3" +mp-770695,Rb3PbO3,-4.4878014636,-1.4171849748,0.1008647536,0.1008647536,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:O-Pb-Rb,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:O-Pb-Rb, expected Rb9PbO9 to be Rb3PbO3" +mp-1209489,Rb2Pb2O3,-5.0008262314,-1.5399078859,0.0,-0.0482924044,GGA,I2_13,A3B2C2_cI28_199_b_a_a:O-Pb-Rb,14.0,A3B2C2_cI28_199_b_a_a:O-Pb-Rb +mp-21801,Rb4PbO3,-4.2189986848,-1.4096424981,0.0,-0.0468099323,GGA,Pbca,A3BC4_oP64_61_3c_c_4c:O-Pb-Rb,64.0,A3BC4_oP64_61_3c_c_4c:O-Pb-Rb +mp-21489,Rb2PbO3,-4.9732326533,-1.5542690952,0.0021725242,-0.0832441979,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:O-Pb-Rb,12.0,A3BC2_oC24_36_ab_a_b:O-Pb-Rb +mp-21461,Rb2PbO3,-4.9754051775,-1.5564416194,0.0,-0.0854167221,GGA,Pnma,A3BC2_oP24_62_cd_c_d:O-Pb-Rb,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_3c4d_c_d:O-Pb-Rb, expected Rb2PbO11 to be Rb2PbO3" +mp-504598,Rb2PbO2,-4.61379515,-1.5003766225,0.0,-0.0299436101,GGA,P-1,A2BC2_aP20_2_4i_2i_4i:O-Pb-Rb,20.0,A2BC2_aP20_2_4i_2i_4i:O-Pb-Rb +mp-1209665,Rb3LiPb4,-2.6967162644,-0.2340770939,0.0,-0.0032508835,GGA,Cmcm,AB4C3_oC32_63_a_fg_cf:Li-Pb-Rb,16.0,AB4C3_oC32_63_a_fg_cf:Li-Pb-Rb +mp-504811,Rb2Pb4O7,-5.4675332762,-1.5107273220000002,0.0,-0.0128344781,GGA,P-1,A7B4C2_aP26_2_7i_4i_2i:O-Pb-Rb,26.0,A7B4C2_aP26_2_7i_4i_2i:O-Pb-Rb +mp-1178399,Cs6Br4O,-3.3638354468,-1.8609976047,0.0,-0.0037408073,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Br-Cs-O,22.0,"Invalid WP multiplicities - A4B6C_hR66_167_a2e_f_b:Br-Cs-O, expected Cs6Br7O to be Cs6Br4O" +mp-1184398,Cs3Mo2BrO7,-6.7949534127,-2.1366952092,0.0033427182,0.0033427182,GGA+U,P6_3/mmc,AB3C2D7_hP26_194_c_df_e_bk:Br-Cs-Mo-O,26.0,AB3C2D7_hP26_194_c_df_e_bk:Br-Cs-Mo-O +mp-28873,CsBrO3,-4.536734756,-1.0790353888,0.0,-0.0841873705,GGA,R3m,ABC3_hR15_160_a_a_b:Br-Cs-O,5.0,ABC3_hR15_160_a_a_b:Br-Cs-O +mp-29577,CsBrO4,-4.578490025,-0.8726257672000001,0.0265703902,0.0265703902,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:Br-Cs-O,12.0,ABC4_tI24_141_a_b_h:Br-Cs-O +mp-1205638,Cs3BrO,-3.409331851,-1.5721470195,0.0,-0.0135239882,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Br-Cs-O,10.0,AB3C_hP10_194_c_h_a:Br-Cs-O +mp-1200897,Ho4GaSbS9,-6.0145198808,-1.8335344445,0.0046707785,0.0046707785,GGA,Aea2,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Ho-S-Sb,60.0,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Ho-S-Sb +mp-1189051,Ho3GaS6,-6.1863469665,-2.0269447831,0.0,-0.0081146635,GGA,Cmc2_1,AB3C6_oC40_36_a_ab_2a2b:Ga-Ho-S,20.0,AB3C6_oC40_36_a_ab_2a2b:Ga-Ho-S +mp-1232303,RbNiO2,-5.175216955,-1.0117049112,0.2144706663,0.2144706663,GGA+U,Fd-3m,AB2C_cF32_227_a_c_b:Ni-O-Rb,8.0,AB2C_cF32_227_a_c_b:Ni-O-Rb +mp-19167,Rb2NiO2,-4.792896705,-1.2659802555,0.0,-0.098336194,GGA+U,I4/mmm,AB2C2_tI10_139_a_e_e:Ni-O-Rb,20.0,AB2C2_tI10_139_a_e_e:Ni-O-Rb +mp-754858,Rb2Ni2O3,-5.1927728071,-1.1411431445,0.1113345943,0.1113345943,GGA+U,Pnma,A2B3C2_oP28_62_2c_cd_2c:Ni-O-Rb,28.0,"Invalid WP multiplicities - A2B3C2_oP28_62_5c_3c2d_5c:Ni-O-Rb, expected Rb5Ni5O7 to be Rb2Ni2O3" +mp-1192212,Rb3NiO2,-4.1705258133,-1.0680064267,0.0262815821,0.0262815821,GGA+U,P4_12_12,AB2C3_tP24_92_a_b_ab:Ni-O-Rb,24.0,AB2C3_tP24_92_a_b_ab:Ni-O-Rb +mp-1103360,Rb3NiO2,-4.1707870242,-1.0682676375,0.0260203713,0.0260203713,GGA+U,P4_2/mnm,AB2C3_tP12_136_a_f_bd:Ni-O-Rb,12.0,AB2C3_tP12_136_a_f_bd:Ni-O-Rb +mp-14529,Rb2Ni2(MoO4)3,-7.3774556641,-1.829110592,0.0933303175,0.0933303175,GGA+U,P2_1/c,A3B2C12D2_mP76_14_3e_2e_12e_2e:Mo-Ni-O-Rb,76.0,"Invalid WP multiplicities - A3B2C12D2_mP76_14_3e_2e_15e_5e:Mo-Ni-O-Rb, expected Rb5Ni2(MoO5)3 to be Rb2Ni2(MoO4)3" +mp-975373,RbNiO3,-4.971713716,-0.6515663387,0.419787335,0.419787335,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ni-O-Rb +mp-3390,Y(CuSi)2,-5.672156228,-0.5690521253,0.0,-0.1081297715,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Y +mp-16914,Y2Si5Ni3,-6.4942753235,-0.7542810818,0.009789674,0.009789674,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Ni-Si-Y,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_a2j_bfj_j:Ni-Si-Y, expected Y2(SiNi)5 to be Y2Si5Ni3" +mp-10284,YSi3Ni,-6.351077852,-0.6465654753,0.024345344,0.024345344,GGA,Cmmm,AB3C_oC20_65_g_2gh_h:Ni-Si-Y,10.0,AB3C_oC20_65_g_2gh_h:Ni-Si-Y +mp-1216156,Y2(CuNi)5,-5.465488575,-0.2713503269,0.0,-0.012757872,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Cu-Ni-Y,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Cu-Ni-Y, expected Y2Cu7Ni5 to be Y2(CuNi)5" +mp-1216074,Y3Si3Ni,-6.6926681571,-0.7704532843,0.0359699504,0.0359699504,GGA,Imm2,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Y,7.0,AB3C3_oI14_44_a_a2b_a2b:Ni-Si-Y +mp-1207856,Y3Cu11Si4,-5.0954676928,-0.3070255356,0.0725306761,0.0725306761,GGA,P6_3/mmc,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Y,36.0,A11B4C3_hP36_194_fhk_bg_h:Cu-Si-Y +mp-1101887,Y3(CuSi)4,-5.84188389,-0.6148373318,0.0022064045,0.0022064045,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Y,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Si-Y +mp-1216078,Y2Cu3Si,-5.5222306717,-0.4129172939,0.0461305783,0.0461305783,GGA,Pmm2,A3BC2_oP6_25_a2b_a_cd:Cu-Si-Y,6.0,A3BC2_oP6_25_a2b_a_cd:Cu-Si-Y +mp-5176,Y(SiNi)2,-6.607408912,-0.8319328053,0.0,-0.0658408788,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-Y +mp-1207874,Y6Si7Ni16,-6.5061743079,-0.6696832814,0.0150684471,0.0150684471,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ni-Si-Y,29.0,A16B7C6_cF116_225_2f_ad_e:Ni-Si-Y +mp-21661,YSi3Ni5,-6.4308224458,-0.6926992677,0.0,-0.0263754023,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Ni-Si-Y,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_8c_4c_c:Ni-Si-Y, expected Y(SiNi2)4 to be YSi3Ni5" +mp-1215914,YCuSi,-5.9570375,-0.6267055622000001,0.0303311833,-0.0259881533,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Si-Y,3.0,ABC_hP3_187_a_c_f:Cu-Si-Y +mp-8126,YCuSi,-5.9873686833,-0.6570367456,0.0,-0.0563193367,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Si-Y,6.0,ABC_hP6_194_c_d_a:Cu-Si-Y +mp-20557,YSiNi,-6.6834542508,-0.7928123097,0.0,-0.0387115267,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-Y,12.0,ABC_oP12_62_c_c_c:Ni-Si-Y +mp-1072437,YSiNi4,-6.4390195083,-0.6036301978,0.0,-0.0666605196,GGA,Cmmm,A4BC_oC12_65_eh_a_c:Ni-Si-Y,6.0,A4BC_oC12_65_eh_a_c:Ni-Si-Y +mp-1206088,YSi2Ni,-6.6129494875,-0.8386385242000001,0.0,-0.0739657179,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Y,8.0,AB2C_oC16_63_c_2c_c:Ni-Si-Y +mp-1198320,Y2Cu5Ni12,-5.5744881316,-0.1644557244,0.0368344226,0.0368344226,GGA,P6_3/mmc,A5B12C2_hP38_194_fg_jk_bc:Cu-Ni-Y,38.0,A5B12C2_hP38_194_fg_jk_bc:Cu-Ni-Y +mp-1207795,Y3(SiNi3)2,-6.5494518564,-0.64664554,0.0,-0.0226575473,GGA,Im-3m,A6B2C3_cI44_229_h_c_e:Ni-Si-Y,22.0,A6B2C3_cI44_229_h_c_e:Ni-Si-Y +mp-1207763,Y3(SiNi)2,-6.6714097329,-0.6985064814,0.0097079373,0.0097079373,GGA,Immm,A2B2C3_oI14_71_e_f_af:Ni-Si-Y,7.0,A2B2C3_oI14_71_e_f_af:Ni-Si-Y +mp-1093655,Y2CuNi,-3.529996545,2.1730748492,2.5182683944,2.5182683944,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ni-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Ni-Y +mp-1215939,YCuSi2Ni,-6.130137262,-0.6908471573,0.009645308,0.009645308,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Cu-Ni-Si-Y,5.0,ABC2D_tI10_119_a_b_f_c:Cu-Ni-Si-Y +mp-644883,CuAg3S2,-3.7016810662,-0.2233853306,0.038793099,0.038793099,GGA,I4_1/a,A3BC2_tI48_88_cf_e_f:Ag-Cu-S,24.0,"Invalid WP multiplicities - A3BC2_tI48_88_2c2f_e_f:Ag-Cu-S, expected Cu(Ag3S)2 to be CuAg3S2" +mp-5725,CuAg3S2,-3.6942804654,-0.2159847298,0.0461936999,0.0461936999,GGA,I4_1/amd,A3BC2_tI48_141_cg_e_h:Ag-Cu-S,24.0,A3BC2_tI48_141_cg_e_h:Ag-Cu-S +mp-1077811,CuAgS,-3.955613755,-0.2662095749,0.0306151506,0.0306151506,GGA,Cmc2_1,ABC_oC12_36_a_a_a:Ag-Cu-S,6.0,ABC_oC12_36_a_a_a:Ag-Cu-S +mp-5014,CuAgS,-3.962496115,-0.2730919349,0.0237327906,0.0237327906,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Cu-S,12.0,ABC_oP12_62_c_c_c:Ag-Cu-S +mp-8911,CuAgS,-3.9625873667,-0.2731831866,0.0236415389,0.0236415389,GGA,Cmcm,ABC_oC12_63_a_c_c:Ag-Cu-S,6.0,ABC_oC12_63_a_c_c:Ag-Cu-S +mp-1205410,CuAgS,-3.88414646,-0.1947422799,0.1020824456,0.1020824456,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ag-Cu-S,6.0,ABC_tP6_129_c_a_c:Ag-Cu-S +mp-1226364,Cr2CuAgS4,-6.06662475,-0.7186676149,0.0877575242,0.0877575242,GGA,Pm,AB2CD4_mP8_6_a_ab_b_2a2b:Ag-Cr-Cu-S,8.0,AB2CD4_mP8_6_a_ab_b_2a2b:Ag-Cr-Cu-S +mp-1212595,Ho2Hf2(MoO4)7,-8.83146048,-2.5877161086,0.0,-0.0065863529,GGA+U,C2/c,A2B2C7D28_mC156_15_f_f_e3f_14f:Hf-Ho-Mo-O,78.0,A2B2C7D28_mC156_15_f_f_e3f_14f:Hf-Ho-Mo-O +mp-554082,Ho2Hf2O7,-9.8045463255,-4.0130902547,0.0138289012,0.0138289012,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Hf-Ho-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Hf-Ho-O, expected HoHfO10 to be Ho2Hf2O7" +mp-1184674,Ho2Hf2O5,-9.0848980578,-3.1057159071,0.4758544268,0.4758544268,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Hf-Ho-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Hf-Ho-O, expected Ho2Hf2O9 to be Ho2Hf2O5" +mp-631293,HgP2Se,-3.02354887,0.633000344,0.8538712083000001,0.8538712083000001,GGA,F-43m,AB2C_cF16_216_a_bc_d:Hg-P-Se,4.0,AB2C_cF16_216_a_bc_d:Hg-P-Se +mp-569349,Rb2HgPSe5,-3.6530502653,-0.8577604425,0.0,-0.0135139336,GGA,P4_2/n,ABC2D5_tP72_86_g_g_2g_5g:Hg-P-Rb-Se,72.0,"Invalid WP multiplicities - ABC2D5_tP72_86_g_g_13g_33g:Hg-P-Rb-Se, expected Rb13HgPSe33 to be Rb2HgPSe5" +mp-7293,HgPSe3,-3.644901631,-0.4039581701,0.0,-0.0236754558,GGA,C2/c,ABC3_mC40_15_f_f_3f:Hg-P-Se,20.0,ABC3_mC40_15_f_f_3f:Hg-P-Se +mp-1226282,Cr4InCuS8,-6.4760475221,-0.8649990068000001,0.0569240663,0.0569240663,GGA,R3m,A4BCD8_hR42_160_ab_a_a_2a2b:Cr-Cu-In-S,14.0,A4BCD8_hR42_160_ab_a_a_2a2b:Cr-Cu-In-S +mp-1033371,Mg6NbCrO8,-6.8842602513,-2.576163845,0.2738601312,0.2738601312,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cr-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cr-Mg-Nb-O, expected Mg6NbCrO12 to be Mg6NbCrO8" +mp-1033427,Mg6NbCrO8,-6.9162505369,-2.6081541306,0.2418698455,0.2418698455,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cr-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cr-Mg-Nb-O, expected Mg6NbCrO12 to be Mg6NbCrO8" +mp-1101460,NbCrO4,-9.3345181388,-2.7443335796,0.0125459302,0.0125459302,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Cr-Nb-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Cr-Nb-O +mp-772660,NbCrO4,-9.3385164379,-2.7483318787,0.0085476311,0.0085476311,GGA+U,Pbcn,ABC4_oP24_60_c_c_2d:Cr-Nb-O,24.0,ABC4_oP24_60_c_c_2d:Cr-Nb-O +mp-675580,NbCrO4,-9.3201925787,-2.7300080196,0.0268714902,0.0268714902,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Cr-Nb-O,24.0,ABC4_oC12_65_a_c_gj:Cr-Nb-O +mp-758053,NbCrO4,-9.3406364517,-2.7504518925,0.0064276173,0.0064276173,GGA+U,I4_1md,ABC4_tI24_109_a_a_2b:Cr-Nb-O,12.0,"Invalid WP multiplicities - ABC4_tI24_109_a_a_7b:Cr-Nb-O, expected NbCrO14 to be NbCrO4" +mp-754908,NbCrO4,-9.3056019467,-2.7154173875,0.0414621223,0.0414621223,GGA+U,I-4m2,ABC4_tI12_119_a_c_ef:Cr-Nb-O,6.0,"Invalid WP multiplicities - ABC4_tI12_119_a_c_2e2f:Cr-Nb-O, expected NbCrO8 to be NbCrO4" +mp-1046983,Nb2CrO8,-8.552755511800001,-2.2410130355,0.2570195231,0.2570195231,GGA+U,C2/c,AB2C8_mC44_15_e_f_4f:Cr-Nb-O,22.0,"Invalid WP multiplicities - AB2C8_mC44_15_e_f_5f:Cr-Nb-O, expected Nb2CrO10 to be Nb2CrO8" +mp-1016595,Mg6NbCr,-3.3864136744,0.2830904269,0.302990404,0.302990404,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Nb, expected Mg12NbCr to be Mg6NbCr" +mp-1016632,Mg6NbCr,-3.4328232619,0.2366808394,0.2565808165,0.2565808165,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Nb, expected Mg12NbCr to be Mg6NbCr" +mp-1046839,Mg2Nb2CrO8,-8.4929434885,-2.9060413854,0.0330313546,0.0330313546,GGA+U,Cc,AB2C2D8_mC52_9_a_2a_2a_8a:Cr-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_9_a_3a_3a_13a:Cr-Mg-Nb-O, expected Mg3Nb3CrO13 to be Mg2Nb2CrO8" +mp-1033940,Mg14NbCrO16,-6.6036481813,-2.8128577878,0.13917435,0.13917435,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cr-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cr-Mg-Nb-O, expected Mg18NbCrO20 to be Mg14NbCrO16" +mp-1033949,Mg14NbCrO16,-6.6070947631,-2.8163043697,0.1357277681,0.1357277681,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cr-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cr-Mg-Nb-O, expected Mg30NbCrO32 to be Mg14NbCrO16" +mp-1026539,Mg14NbCr,-2.4995069181,0.1353851575,0.1549183749,0.1549183749,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Nb, expected Mg18NbCr to be Mg14NbCr" +mp-1026535,Mg14NbCr,-2.4869630437,0.1479290319,0.1674622493,0.1674622493,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Nb, expected Mg26NbCr to be Mg14NbCr" +mp-1038660,Mg30NbCrO32,-6.4685451177,-2.9364077306,0.0666284879,0.0666284879,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cr-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cr-Mg-Nb-O, expected Mg90NbCrO80 to be Mg30NbCrO32" +mp-1038594,Mg30NbCrO32,-6.4700180316,-2.9378806445,0.065155574,0.065155574,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cr-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cr-Mg-Nb-O, expected Mg110NbCrO72 to be Mg30NbCrO32" +mp-2224753,MgNbCrO4,-8.3725340957,-2.4951930379,0.236066124,0.236066124,GGA+U,P2/m,ABCD4_mP7_10_c_a_e_mn:Cr-Mg-Nb-O,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_a_c_e_m2n:Cr-Mg-Nb-O, expected MgNbCrO6 to be MgNbCrO4" +mp-2225895,MgNbCrO4,-8.3202497171,-2.4429086593,0.2883505026,0.2883505026,GGA+U,Amm2,ABCD4_oC14_38_b_a_a_2bd:Cr-Mg-Nb-O,7.0,"Invalid WP multiplicities - ABCD4_oC14_38_b_a_a_2b2d:Cr-Mg-Nb-O, expected MgNbCrO6 to be MgNbCrO4" +mp-2225387,MgNbCrO4,-8.2730286243,-2.3956875664,0.3355715955,0.3355715955,GGA+U,Imm2,ABCD4_oI14_44_b_a_a_2a2b:Cr-Mg-Nb-O,7.0,ABCD4_oI14_44_b_a_a_2a2b:Cr-Mg-Nb-O +mp-2225349,MgNbCrO4,-8.4301351157,-2.5527940579,0.178465104,0.178465104,GGA+U,Imm2,ABCD4_oI14_44_a_a_b_2a2b:Cr-Mg-Nb-O,7.0,ABCD4_oI14_44_a_a_b_2a2b:Cr-Mg-Nb-O +mp-1227629,Ca2Pr4(Mo2O7)3,-8.6106995039,-2.7898150683000003,0.0,-0.0212775512,GGA+U,Fdd2,A2B6C21D4_oF264_43_b_3b_3a9b_2b:Ca-Mo-O-Pr,66.0,"Invalid WP multiplicities - A2B6C21D4_oF264_43_b_11b_6a30b_6b:Ca-Mo-O-Pr, expected CaPr6(MoO3)11 to be Ca2Pr4(Mo2O7)3" +mp-1044742,CaPr(MoO3)2,-8.549349222,-2.7335554097,0.0,-0.0144550824,GGA+U,Pc,AB2C6D_mP20_7_a_2a_6a_a:Ca-Mo-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_mP20_7_a_4a_12a_a:Ca-Mo-O-Pr, expected CaPr(MoO3)4 to be CaPr(MoO3)2" +mp-1044445,CaCoBiO5,-6.5311801887000005,-1.8201988936,0.0319335589,0.0319335589,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Co-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Co-O, expected CaCoBiO15 to be CaCoBiO5" +mp-1042661,CaCoBiO5,-6.4627436297,-1.7517623345,0.100370118,0.100370118,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Co-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Co-O, expected CaCoBiO31 to be CaCoBiO5" +mp-1042662,CaCoBi2O7,-6.3299781177,-1.6552765801,0.0945817624,0.0945817624,GGA+U,P2_1/c,A2BCD7_mP88_14_4e_2e_2e_14e:Bi-Ca-Co-O,88.0,"Invalid WP multiplicities - A2BCD7_mP88_14_7e_3e_2e_17e:Bi-Ca-Co-O, expected Ca3Co2Bi7O17 to be CaCoBi2O7" +mp-1225019,Fe5NiO8,-7.7938056679,-1.5292519236,0.0895957521,0.0895957521,GGA+U,R-3m,A5BC8_hR42_166_cd_a_ch:Fe-Ni-O,14.0,"Invalid WP multiplicities - A5BC8_hR42_166_cd_a_2c2h:Fe-Ni-O, expected Fe5NiO16 to be Fe5NiO8" +mp-36806,Fe11(NiO3)8,-7.3929749881,-1.3899085737,0.1486487546,0.1486487546,GGA+U,C2/m,A11B8C24_mC86_12_c3ij_abe2i_6i3j:Fe-Ni-O,43.0,"Invalid WP multiplicities - A11B8C24_mC86_12_c5i2j_ab2f4i_11i10j:Fe-Ni-O, expected Fe19(Ni7O31)2 to be Fe11(NiO3)8" +mp-1224929,GaFeNiO4,-7.0714496414,-1.7764483904,0.0249780493,0.0249780493,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Fe-Ga-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h2i:Fe-Ga-Ni-O, expected GaFeNiO8 to be GaFeNiO4" +mp-1279232,Fe(NiO2)2,-6.9768336579,-1.2886837414,0.0309389529,0.0309389529,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Fe-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Fe-Ni-O +mp-1282693,Fe(NiO2)2,-6.9836543393,-1.2955044229,0.0241182714,0.0241182714,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Fe-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Fe-Ni-O +mp-640147,Fe(NiO2)2,-6.9975229507000005,-1.3093730343,0.01024966,0.01024966,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Fe-Ni-O +mp-698680,Fe21Ni9O40,-7.5985260323,-1.4876799754,0.1095041951,0.1095041951,GGA+U,I-4,A21B9C40_tI140_82_a5g_c2g_10g:Fe-Ni-O,70.0,"Invalid WP multiplicities - A21B9C40_tI140_82_a17g_c5g_35g:Fe-Ni-O, expected Fe69(Ni3O20)7 to be Fe21Ni9O40" +mp-1225169,Ga2FeNi9,-5.7645415367,-0.2189212554,0.0049361842,0.0049361842,GGA,P4/mmm,AB2C9_tP12_123_a_g_cehi:Fe-Ga-Ni,12.0,"Invalid WP multiplicities - AB2C9_tP12_123_a_g_c2eh3i:Fe-Ga-Ni, expected Ga2FeNi19 to be Ga2FeNi9" +mp-685456,Fe14Ni11O32,-7.2992490456,-1.3263395863,0.2130712557,0.2130712557,GGA+U,P1,A14B11C32_aP57_1_14a_11a_32a:Fe-Ni-O,57.0,A14B11C32_aP57_1_14a_11a_32a:Fe-Ni-O +mp-1365499,Fe14Ni11O32,-7.0374351837,-1.0645257244,0.4748851176,0.4748851176,GGA+U,P1,A14B11C32_aP57_1_14a_11a_32a:Fe-Ni-O,57.0,A14B11C32_aP57_1_14a_11a_32a:Fe-Ni-O +mp-699378,Fe2NiO4,-7.573789811,-1.501370676,0.0903976183,0.0667316869,GGA+U,P1,A2BC4_aP70_1_20a_10a_40a:Fe-Ni-O,70.0,A2BC4_aP70_1_20a_10a_40a:Fe-Ni-O +mp-1326188,Fe2NiO4,-6.3126293474,-0.2402102124,1.3515580819,1.3278921504,GGA+U,P1,A2BC4_aP70_1_20a_10a_40a:Fe-Ni-O,70.0,A2BC4_aP70_1_20a_10a_40a:Fe-Ni-O +mp-530214,Fe2NiO4,-7.5771661138,-1.5047469788,0.0870213155,0.0633553841,GGA+U,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Fe-Ni-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a15b:Fe-Ni-O, expected Fe11Ni4O23 to be Fe2NiO4" +mp-35596,Fe2NiO4,-7.6641874293,-1.5917682943,0.0,-0.0236659314,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Ni-O,14.0,A2BC4_oI28_74_ae_c_hi:Fe-Ni-O +mp-22684,Fe2NiO4,-7.5818389979,-1.5094198629,0.0823484314,0.0586825,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Fe-Ni-O,14.0,A2BC4_cF56_227_c_b_e:Fe-Ni-O +mp-757258,Fe13(NiO10)2,-7.8587349573,-1.5557542911,0.0685092609,0.0685092609,GGA+U,Cm,A13B2C20_mC140_8_16a5b_4a_20a10b:Fe-Ni-O,70.0,"Invalid WP multiplicities - A13B2C20_mC140_8_16a9b_4a_20a15b:Fe-Ni-O, expected Fe17Ni2O25 to be Fe13(NiO10)2" +mp-622990,GaFe2Ni,-6.4557833175,-0.0187145369,0.187673184,0.187673184,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-Ni,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-Ni +mp-1272388,FeNiO3,-7.099244788,-1.2811999833,0.0774491448,0.0774491448,GGA+U,R3,ABC3_hR30_146_2a_2a_2b:Fe-Ni-O,10.0,ABC3_hR30_148_c_c_f:Fe-Ni-O +mp-768499,FeNiO3,-7.094728297,-1.2766834923,0.0819656358,0.0819656358,GGA+U,R-3,ABC3_hR30_148_c_c_f:Fe-Ni-O,10.0,ABC3_hR30_148_c_c_f:Fe-Ni-O +mp-754651,Fe7(Ni3O8)2,-7.3764782707,-1.40689248,0.1059767958,0.1059767958,GGA+U,C2/m,A7B6C16_mC58_12_cij_abei_4i2j:Fe-Ni-O,29.0,"Invalid WP multiplicities - A7B6C16_mC58_12_c2i2j_abf2i_8i4j:Fe-Ni-O, expected Fe13(NiO4)8 to be Fe7(Ni3O8)2" +mp-1065359,GaFeNi2,-5.9616203875,-0.1970227394,0.0646197467,0.0646197467,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Fe-Ga-Ni,4.0,ABC2_tP4_123_a_c_e:Fe-Ga-Ni +mp-1018074,GaFeNi2,-5.974060385,-0.2094627369,0.0521797492,0.0521797492,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ga-Ni,4.0,ABC2_cF16_225_a_b_c:Fe-Ga-Ni +mp-1101437,NdSmO2,-7.9301251075,-3.08509736,0.1170814417,0.1170814417,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Nd-O-Sm,8.0,AB2C_tI16_141_a_e_b:Nd-O-Sm +mp-755426,NdSmO2,-7.9431889925,-3.098161245,0.1040175567,0.1040175567,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-O-Sm,4.0,AB2C_hR12_166_a_c_b:Nd-O-Sm +mp-1523345,NdSmTi4O12,-8.8888745444,-3.309487535,0.1424359976,0.1424359976,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Nd-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Nd-O-Sm-Ti, expected NdSmTi4O18 to be NdSmTi4O12" +mp-1224521,Ho12Si5S28,-6.2885809971,-1.8900011557,0.0273321452,0.0273321452,GGA,P1,A12B28C5_aP45_1_12a_28a_5a:Ho-S-Si,45.0,A12B28C5_aP45_1_12a_28a_5a:Ho-S-Si +mp-17486,Ho3CuSiS7,-6.15619691,-1.8039552118,0.0,-0.020973115,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Ho-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b4c_b:Cu-Ho-S-Si, expected Ho3CuSiS13 to be Ho3CuSiS7" +mp-1046861,Nb2Zn2CoO8,-7.7162161,-2.377452655,0.023723124,0.023723124,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Co-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Co-Nb-O-Zn, expected Nb2Zn2CoO10 to be Nb2Zn2CoO8" +mp-864857,NbZnCo2,-6.5693980675,-0.1749770075,0.0,-0.0141461758,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Nb-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Nb-Zn +mp-1261252,Ti2Al2O7,-8.2102585482,-2.9458079416,0.5225092786000001,0.5225092786000001,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Al-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:Al-O-Ti +mp-1219548,RbTi3AlO8,-8.5477631392,-3.3180634744,0.0345776578,0.0345776578,GGA,P1,AB8CD3_aP13_1_a_8a_a_3a:Al-O-Rb-Ti,13.0,AB8CD3_aP13_1_a_8a_a_3a:Al-O-Rb-Ti +mp-1248327,TiAlO3,-8.4245817717,-3.1283549756,0.2374037218,0.2374037218,GGA,Cmcm,AB3C_oC60_63_ae_cfgh_cg:Al-O-Ti,30.0,"Invalid WP multiplicities - AB3C_oC60_63_ae_c4fg5h_2c3g:Al-O-Ti, expected Ti8Al3O31 to be TiAlO3" +mp-774520,TiAlO3,-8.595938124,-3.2997113279,0.0660473695,0.0660473695,GGA,R-3,AB3C_hR30_148_c_f_c:Al-O-Ti,10.0,AB3C_hR30_148_c_f_c:Al-O-Ti +mp-1341716,TiAlO3,-8.4006897867,-3.1044629906,0.2612957068,0.2612957068,GGA,P6_3cm,AB3C_hP30_185_ab_ab2c_c:Al-O-Ti,30.0,AB3C_hP30_185_ab_ab2c_c:Al-O-Ti +mp-1405134,TiAlO3,-8.404063179,-3.1078363829,0.2579223145,0.2579223145,GGA,P6_3/mmc,AB3C_hP10_194_a_bf_c:Al-O-Ti,10.0,AB3C_hP10_194_a_bf_c:Al-O-Ti +mp-1475723,TiAlO3,-7.666068926,-2.3698421299,0.9959165675,0.9959165675,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-Ti,5.0,AB3C_cP5_221_a_c_b:Al-O-Ti +mp-15397,Ti7Al2O15,-9.1020841067,-3.3954205048,0.0102395569,0.0102395569,GGA,C2/m,A2B15C7_mC48_12_i_a7i_c3i:Al-O-Ti,24.0,"Invalid WP multiplicities - A2B15C7_mC48_12_i_a8i_d3i:Al-O-Ti, expected Ti7Al2O17 to be Ti7Al2O15" +mp-1101043,TiAl2O5,-8.4458081288,-3.4307972246,0.0247066094,0.0247066094,GGA,Cmc2_1,A2B5C_oC32_36_2a_5a_a:Al-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_36_3a_10a_a:Al-O-Ti, expected TiAl3O10 to be TiAl2O5" +mp-4930,TiAl2O5,-8.4572930888,-3.4422821846,0.0132216494,0.0132216494,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Al-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c3f_c:Al-O-Ti, expected TiAl2O7 to be TiAl2O5" +mp-1045403,Ti2AlO4,-8.6301075571,-3.0124911702,0.2226485925,0.2226485925,GGA,Imma,AB4C2_oI28_74_a_hi_bc:Al-O-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Al-O-Ti, expected Ti4AlO14 to be Ti2AlO4" +mp-1395354,Ti2AlO4,-8.452462385,-2.8348459981,0.4002937646,0.4002937646,GGA,I4_1/a,AB4C2_tI28_88_a_f_d:Al-O-Ti,14.0,AB4C2_tI28_88_a_f_d:Al-O-Ti +mp-1262424,Ti2AlO4,-8.7892026721,-3.1715862852,0.0635534775,0.0635534775,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Al-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Al-O-Ti +mp-1048819,Ti3AlO6,-8.9646811427,-3.253462728,0.081518126,0.081518126,GGA,P-3m1,AB6C3_hP40_164_cd_c2d3i_adfi:Al-O-Ti,40.0,"Invalid WP multiplicities - AB6C3_hP40_164_2c2d_2c4d18i_ad3f3i:Al-O-Ti, expected Ti15Al4O60 to be Ti3AlO6" +mp-1213375,CsY(NbBr3)6,-5.2641059717,-1.5747131384,0.0,-0.0178803586,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Y,52.0,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Y +mp-1044616,Si2Sb2Mo13O28,-8.3473996091,-1.7116357450000002,0.3514221088,0.3514221088,GGA+U,C2/m,A13B28C2D2_mC90_12_a2g2j_2i6j_g_i:Mo-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_mC90_12_a4g7j_4i21j_g_i:Mo-O-Sb-Si, expected Si2Sb2Mo37O92 to be Si2Sb2Mo13O28" +mp-1111878,Cs2YCuBr6,-4.065704948,-1.8982396973,0.0489354517,0.0489354517,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Cu-Y +mp-1187236,SrPa3,-6.9279090025,0.6304628558,0.6304628558,0.6304628558,GGA,I4/mmm,A3B_tI8_139_ad_b:Pa-Sr,4.0,A3B_tI8_139_ad_b:Pa-Sr +mp-1187173,Sr3Pa,-2.9251924975,0.7205937575,0.7205937575,0.7205937575,GGA,Pm-3m,AB3_cP4_221_a_c:Pa-Sr,4.0,AB3_cP4_221_a_c:Pa-Sr +mp-1187159,Sr3Pa,-2.9232448225,0.7225414325,0.7225414325,0.7225414325,GGA,Fm-3m,AB3_cF16_225_a_bc:Pa-Sr,4.0,AB3_cF16_225_a_bc:Pa-Sr +mp-12323,NaSm2IrO6,-7.5886833535,-2.6608569524,0.0087382991,0.0087382991,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Na-O-Sm,20.0,ABC6D2_mP20_14_a_b_3e_e:Ir-Na-O-Sm +mp-754027,NaSmO2,-7.0343638325,-3.0507416198,0.0,-0.0969343023,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Sm,8.0,AB2C_tI16_141_a_e_b:Na-O-Sm +mp-756034,NaSmO2,-7.00937465,-3.0257524373,0.0249891825,-0.0719451198,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Sm,4.0,AB2C_hR12_166_a_c_b:Na-O-Sm +mp-1110604,Rb2NiAgF6,-4.54310357,-2.3388401067,0.0357864385,0.0357864385,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ni-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ni-Rb +mp-1113632,Rb2TlPdF6,-4.390279903,-2.2930332123,0.0399333315,0.0399333315,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Pd-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Pd-Rb-Tl +mp-1111648,K2NaDyCl6,-4.351234588,-2.4271015893,0.0278094753,0.0278094753,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Na +mp-561379,GaRe(Cl3O)2,-5.1849893452,-1.5392672862,0.0,-0.0118447297,GGA,P2_1/c,A6BC2D_mP40_14_6e_e_2e_e:Cl-Ga-O-Re,40.0,"Invalid WP multiplicities - A6BC2D_mP40_14_23e_e_4e_e:Cl-Ga-O-Re, expected GaReCl23O4 to be GaRe(Cl3O)2" +mp-1195576,CoSb3XeF23,-4.3772400862,-2.1095432312,0.0411380538,0.0411380538,GGA+U,P2_1/c,AB23C3D_mP112_14_ad_23e_3e_e:Co-F-Sb-Xe,112.0,AB23C3D_mP112_14_ad_23e_3e_e:Co-F-Sb-Xe +mp-1096725,NaHg2Pd,-1.1245778875,0.6528640709,0.8612851744000001,0.8612851744000001,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Na-Pd,4.0,A2BC_oI8_71_e_a_b:Hg-Na-Pd +mp-1111157,Na2HgPdF6,-3.9175748,-1.9578261433,0.212464127,0.212464127,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Pd,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Pd +mp-865097,NaHgPd2,-3.1724953225,-0.1760030029,0.0,-0.0333455449,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Hg-Na-Pd,4.0,ABC2_cF16_225_a_b_c:Hg-Na-Pd +mp-1224884,Fe3Mo6PtN2,-9.7087032367,-0.2730292817,0.0039857638,0.0039857638,GGA,P2_1,A3B6C2D_mP24_4_3a_6a_2a_a:Fe-Mo-N-Pt,24.0,"Invalid WP multiplicities - A3B6C2D_mP24_4_5a_9a_2a_a:Fe-Mo-N-Pt, expected Fe5Mo9PtN2 to be Fe3Mo6PtN2" +mp-579496,Fe3PtN,-8.215224814,-0.251686439,0.0,-0.0326708005,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Fe-N-Pt,5.0,A3BC_cP5_221_c_b_a:Fe-N-Pt +mp-510382,Fe3PtN,-5.978059606,1.985478769,2.237165208,2.2044944075,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Fe-N-Pt,5.0,A3BC_cP5_221_c_a_b:Fe-N-Pt +mp-1225033,FeMo3PtN,-9.584503425,-0.3487367942,0.0,-0.028555685,GGA,P2_13,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Pt,24.0,AB3CD_cP24_198_a_b_a_a:Fe-Mo-N-Pt +mp-1207992,Tm2Be2SiO7,-8.3065220942,-3.5996357954,0.0,-0.0094786974,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Tm,24.0,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Tm +mp-1184309,EuLuO3,-9.165762474,-3.2421587833,0.4128473135,0.4128473135,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Lu-O,5.0,ABC3_cP5_221_a_b_c:Eu-Lu-O +mp-1205856,Eu2LuTaO6,-10.207909808,-3.5506234062,0.0219483688,0.0219483688,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Lu-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Lu-O-Ta +mp-984697,EuLu2O4,-9.4070572511,-3.8233918675,0.019956147,0.019956147,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Lu-O,28.0,AB2C4_oP28_62_c_2c_4c:Eu-Lu-O +mp-1111578,K2TlInBr6,-3.200314947,-1.5349854719,0.0747102203,0.0747102203,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Tl +mp-1235718,LiHo2Ta2O8,-9.0583938523,-3.3381780403,0.1935814676,0.1935814676,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Ho-Li-O-Ta,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Ho-Li-O-Ta +mp-1236029,LiHo2Ta2O8,-9.0911955838,-3.3709797718,0.1607797361,0.1607797361,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Ho-Li-O-Ta,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Ho-Li-O-Ta +mp-756134,ZrSeO,-8.3417576433,-2.678324037,0.0506895558,0.0506895558,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-Se-Zr,6.0,ABC_tP6_129_a_c_c:O-Se-Zr +mp-756361,ZrSeO,-8.3570376242,-2.6936040179000003,0.035409575,0.035409575,GGA,P2_13,ABC_cP12_198_a_a_a:O-Se-Zr,12.0,ABC_cP12_198_a_a_a:O-Se-Zr +mp-1235245,LiZr2(SeO)2,-7.3197242029,-2.1926492736,0.350806585,0.350806585,GGA,Pmm2,AB2C2D2_oP7_25_a_ad_bc_bc:Li-O-Se-Zr,7.0,AB2C2D2_oP7_25_a_ad_bc_bc:Li-O-Se-Zr +mp-1235778,LiZr2(SeO)2,-7.2051471614,-2.0780722322,0.4653836264,0.4653836264,GGA,P4mm,AB2C2D2_tP7_99_a_c_ab_ab:Li-O-Se-Zr,7.0,AB2C2D2_tP7_99_a_c_ab_ab:Li-O-Se-Zr +mp-1235441,LiZr2(SeO)2,-7.5585062329,-2.4314313036,0.112024555,0.112024555,GGA,P-4m2,AB2C2D2_tP7_115_c_ab_g_g:Li-O-Se-Zr,7.0,AB2C2D2_tP7_115_c_ab_g_g:Li-O-Se-Zr +mp-1001615,LiZrSe2,-5.9523099025,-1.5901982895,0.0,-0.0337000875,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-Se-Zr,4.0,AB2C_hP4_164_a_d_b:Li-Se-Zr +mp-1100413,TiCuB,-6.4345984667,-0.2099016475,0.3723469745,0.3723469745,GGA,F-43m,ABC_cF12_216_c_a_b:B-Cu-Ti,3.0,ABC_cF12_216_c_a_b:B-Cu-Ti +mp-1201135,Ti9Cu2(B4Ru9)2,-8.6174228728,-0.5192547275,0.0293706236,0.0293706236,GGA,P4/mbm,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Cu-Ru-Ti,74.0,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Cu-Ru-Ti +mp-998781,TlNiO3,-5.33315619,-0.7365869979,0.3046017819,0.3046017819,GGA+U,Pm,AB3C_mP5_6_a_2ab_b:Ni-O-Tl,5.0,AB3C_oC10_38_a_bd_b:Ni-O-Tl +mp-1097917,TlNiO3,-5.27181955,-0.6752503579,0.3659384219,0.3659384219,GGA+U,Cm,AB3C_mC10_8_a_ab_a:Ni-O-Tl,5.0,AB3C_oC10_38_a_bd_b:Ni-O-Tl +mp-1178989,TlNiO3,-5.5623652445000005,-0.9657960524,0.0753927274,0.0753927274,GGA+U,P2_1/c,AB3C_mP20_14_ad_3e_e:Ni-O-Tl,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2a2b_9e_e:Ni-O-Tl, expected TlNi2O9 to be TlNiO3" +mp-1403003,TlNiO3,-5.271887158,-0.6753179659,0.3658708139,0.3658708139,GGA+U,Amm2,AB3C_oC10_38_a_bd_b:Ni-O-Tl,5.0,AB3C_oC10_38_a_bd_b:Ni-O-Tl +mp-18001,TlNiO3,-5.5636984805,-0.9671292884,0.0740594914,0.0740594914,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Tl,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Tl +mp-998845,TlNiO3,-5.535411979,-0.9388427869,0.1023459929,0.1023459929,GGA+U,R3c,AB3C_hR30_161_a_b_a:Ni-O-Tl,10.0,AB3C_hR30_161_a_b_a:Ni-O-Tl +mp-1208571,Tl2Ni2(MoO4)3,-7.4069466493,-1.7131164115000002,0.0033472836,0.0033472836,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Mo-Ni-O-Tl,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Mo-Ni-O-Tl +mp-1226929,Cd4CoS5,-3.8920986135,-0.7438859966,0.1069997415,0.1069997415,GGA,Cm,A4BC5_mC40_8_8a_2a_10a:Cd-Co-S,20.0,A4BC5_mC40_8_8a_2a_10a:Cd-Co-S +mp-1226341,Cr4CdCoS8,-6.5889851379,-0.8936282543,0.0586394136,0.0586394136,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Cd-Co-Cr-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Cd-Co-Cr-S +mp-1178410,Cu2NiO4,-5.7408813057,-0.917266325,0.0265772202,0.0265772202,GGA+U,C2/c,A2BC4_mC28_15_ac_e_2f:Cu-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_2ac_e_3f:Cu-Ni-O, expected Cu3NiO6 to be Cu2NiO4" +mp-768225,Cu2NiO4,-5.7338101286,-0.9101951479,0.0336483973,0.0336483973,GGA+U,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Ni-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Ni-O +mp-761415,CuNi3O4,-6.2387697381,-1.0854732938,0.0644255637,0.0644255637,GGA+U,Cmmm,AB3C4_oC16_65_a_bf_gj:Cu-Ni-O,16.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_2b2f_gj:Cu-Ni-O, expected Cu(Ni3O2)2 to be CuNi3O4" +mp-1225790,CuNi3O4,-6.2083213075,-1.0550248631,0.0948739944,0.0948739944,GGA+U,R-3m,AB3C4_hR24_166_a_bc_2c:Cu-Ni-O,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_3c:Cu-Ni-O, expected CuNi5O6 to be CuNi3O4" +mp-1043320,Cu3(NiO3)4,-5.7153608037,-0.7270223161,0.116695882,0.116695882,GGA+U,Im-3,A3B4C12_cI38_204_b_c_g:Cu-Ni-O,19.0,A3B4C12_cI38_204_b_c_g:Cu-Ni-O +mp-756271,Cu(NiO2)2,-6.0442033836,-0.9804555443,0.0152047754,0.0152047754,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Cu-Ni-O +mp-1225946,Cu2NiSnO4,-6.0658493456,-1.3439897556,0.0,-0.0068369925,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Cu-Ni-O-Sn,16.0,A2BC4D_mP8_10_bg_c_mn_e:Cu-Ni-O-Sn +mp-754654,NiSnO3,-6.652262607,-1.7263076733,0.026179026,0.026179026,GGA+U,R-3,AB3C_hR30_148_c_f_c:Ni-O-Sn,20.0,AB3C_hR30_148_c_f_c:Ni-O-Sn +mp-1178369,CuNiO2,-5.9575416275,-1.0143614344,0.0667148337,0.0667148337,GGA+U,C2/m,ABC2_mC8_12_a_c_i:Cu-Ni-O,4.0,ABC2_mC8_12_a_c_i:Cu-Ni-O +mp-1178372,CuNiO2,-5.9575360825,-1.0143558894,0.0667203787,0.0667203787,GGA+U,C2/m,ABC2_mC8_12_a_c_i:Cu-Ni-O,4.0,ABC2_mC8_12_a_c_i:Cu-Ni-O +mp-1225749,CuNiO2,-5.8792309750000005,-0.9360507819,0.1450254862,0.1450254862,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cu-Ni-O,4.0,ABC2_hR12_166_a_b_c:Cu-Ni-O +mp-772088,CuNi4O5,-6.269039653,-1.0737199584,0.089943417,0.089943417,GGA+U,C2/m,AB4C5_mC40_12_i_ad3i_5i:Cu-Ni-O,20.0,"Invalid WP multiplicities - AB4C5_mC40_12_i_ac6i_9i:Cu-Ni-O, expected CuNi7O9 to be CuNi4O5" +mp-1225756,CuNi4O5,-6.287405142,-1.0920854474,0.071577928,0.071577928,GGA+U,I4/mmm,AB4C5_tI20_139_a_2e_b2e:Cu-Ni-O,10.0,"Invalid WP multiplicities - AB4C5_tI20_139_a_3e_b3e:Cu-Ni-O, expected CuNi6O7 to be CuNi4O5" +mp-757221,CuNi9O10,-6.435988094,-1.1566218989,0.0345705122,0.0345705122,GGA+U,P-1,AB9C10_aP20_2_a_c4i_5i:Cu-Ni-O,20.0,"Invalid WP multiplicities - AB9C10_aP20_2_a_c7i_10i:Cu-Ni-O, expected Cu(Ni3O4)5 to be CuNi9O10" +mp-1147668,Cu6NiO6,-5.3342839938,-0.7146294579,0.2022690204,0.2022690204,GGA+U,Fm-3m,A6BC6_cF52_225_d_a_e:Cu-Ni-O,13.0,A6BC6_cF52_225_d_a_e:Cu-Ni-O +mp-757285,Cu2Ni11O13,-5.3950584642,-0.1609480771,1.0154210071,1.0154210071,GGA+U,Immm,A2B11C13_oI52_71_e_a5e_c6f:Cu-Ni-O,26.0,"Invalid WP multiplicities - A2B11C13_oI52_71_e_a10e_c11f:Cu-Ni-O, expected Cu2Ni21O23 to be Cu2Ni11O13" +mp-1095624,Tb2Ga8Co,-4.1809627682,-0.4898883886,0.0081341491,0.0081341491,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Tb,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Tb +mp-1217733,Tb2Ga3Co14,-6.4103914253,-0.2067351412,0.0,-0.0018981991,GGA,R3m,A14B3C2_hR57_160_2a2bc_b_2a:Co-Ga-Tb,19.0,A14B3C2_hR57_160_2a2bc_b_2a:Co-Ga-Tb +mp-1217757,Tb9Ga5S21,-5.9585123704,-1.8523631642,0.0193958157,0.0193958157,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Ga-S-Tb,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Ga-S-Tb, expected Tb24Ga5S51 to be Tb9Ga5S21" +mp-1103095,TbGaCo,-5.3898697092,-0.4662764033,0.0,-0.0112572637,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Tb,12.0,ABC_oP12_62_c_c_c:Co-Ga-Tb +mp-1193699,Tb2(Ga3Co)3,-4.6210453414,-0.489148928,0.0,-0.022284362,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Tb,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Tb +mp-1188624,Tb6GaCo2,-5.2803133078,-0.2746546175,0.0,-0.0119631476,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Tb,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Tb +mp-1207140,Tb2GaCo2,-5.69969653,-0.3970037675,0.0,-0.0204245718,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Tb,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Tb +mp-1025288,TbGa5Co,-4.3136966171,-0.4732446161,0.0,-0.01202143,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Tb,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Tb +mp-1104279,Tb3GaCo3,-5.8033014936,-0.3381375354,0.0,-0.0059489976,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Co-Ga-Tb,14.0,A3BC3_oC28_63_cf_a_cf:Co-Ga-Tb +mp-1208354,TbGaCo4,-6.2755928039,-0.2596372535,0.0,-0.0059342729,GGA,P6/mmm,A4BC_hP18_191_jm_g_ac:Co-Ga-Tb,18.0,A4BC_hP18_191_jm_g_ac:Co-Ga-Tb +mp-1208567,Tb(GaCo)6,-5.3649783885,-0.3301438496,0.0147641894,0.0147641894,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Co-Ga-Tb,13.0,A6B6C_oI26_71_fk_egh_a:Co-Ga-Tb +mp-1203765,Tb6(Ga3Co)7,-4.6369342074,-0.4853331004,0.021546139,0.021546139,GGA,P4/mbm,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Tb,68.0,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Tb +mp-1191665,Tb4Ga16Co3,-4.3540053574,-0.5143551772,0.0,-0.0086722893,GGA,P4/mmm,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Tb,23.0,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Tb +mp-1192199,Tb3GaCoS7,-6.1766918129,-1.7604700474,0.0452128926,0.0452128926,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-S-Tb,24.0,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-S-Tb +mp-1208588,Tb(GaCo2)4,-5.8462893923,-0.1837284269,0.0798904004,0.0798904004,GGA,I4/mmm,A8B4C_tI26_139_fj_i_a:Co-Ga-Tb,13.0,A8B4C_tI26_139_fj_i_a:Co-Ga-Tb +mp-1191472,Tb8Ga3Co,-4.8327250158,-0.393763794,0.0,-0.0135348539,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Tb,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Tb +mp-1217619,TbGa2Co3,-5.7126020717,-0.3766834833,0.0064888083,-0.0286693023,GGA,P-62m,A3B2C_hP18_189_fk_fg_bc:Co-Ga-Tb,18.0,A3B2C_hP18_189_fk_fg_bc:Co-Ga-Tb +mp-568687,TbGa2Co3,-5.71909088,-0.3831722917,0.0,-0.0351581106,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Ga-Tb,6.0,A3B2C_hP6_191_g_c_a:Co-Ga-Tb +mp-644529,TbGa2Co3,-5.7100599083,-0.37414132,0.0090309717,-0.026127139,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Tb,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Tb +mp-1217559,TbGa2Co3,-5.6793082722,-0.3433896839,0.0397826078,0.0046244971,GGA,P6/mmm,A3B2C_hP18_191_gj_m_ac:Co-Ga-Tb,18.0,"Invalid WP multiplicities - A3B2C_hP18_191_gj_m_a2c:Co-Ga-Tb, expected Tb5(Ga2Co3)3 to be TbGa2Co3" +mp-1189383,Li2CdGeS4,-4.3429721181,-1.1042767661,0.0,-0.0363982916,GGA,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Cd-Ge-Li-S,16.0,ABC2D4_oP16_31_a_a_b_2ab:Cd-Ge-Li-S +mp-10686,Li2CdGe,-2.598503245,-0.2575624079,0.0135116728,0.0135116728,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ge-Li,4.0,ABC2_cF16_225_a_b_c:Cd-Ge-Li +mp-556070,Na5Gd(MoO4)4,-7.8382334733,-2.3298346838,0.0,-0.0167132275,GGA+U,I4_1/a,AB4C5D16_tI104_88_a_f_bf_4f:Gd-Mo-Na-O,52.0,"Invalid WP multiplicities - AB4C5D16_tI104_88_a_f_2b2f_23f:Gd-Mo-Na-O, expected Na10Gd(MoO23)4 to be Na5Gd(MoO4)4" +mp-581955,CsSi2SbO7,-7.3235139965,-2.7324357555,0.0,-0.0076822047,GGA,Pna2_1,AB7CD2_oP132_33_3a_21a_3a_6a:Cs-O-Sb-Si,132.0,"Invalid WP multiplicities - AB7CD2_oP132_33_9a_83a_12a_17a:Cs-O-Sb-Si, expected Cs9Si17Sb12O83 to be CsSi2SbO7" +mp-1226548,CsSiSbO5,-6.9189197488000005,-2.521024099,0.0,-0.0314148828,GGA,Ama2,AB5CD_oC128_40_abc_2a2b8c_2c_2c:Cs-O-Sb-Si,64.0,"Invalid WP multiplicities - AB5CD_oC128_40_abc_4a4b21c_7c_7c:Cs-O-Sb-Si, expected Cs2Si7Sb7O25 to be CsSiSbO5" +mp-1214231,BaZr(AsO4)2,-7.5683048858,-2.6217697133,0.0,-0.0239434154,GGA,C2/m,A2BC8D_mC24_12_i_a_2ij_c:As-Ba-O-Zr,12.0,A2BC8D_mC24_12_i_a_2ij_d:As-Ba-O-Zr +mp-1246624,DyMg2Mo3S8,-6.4288925857,-1.1834714282,0.2983872462,0.2983872462,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Dy-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Dy-Mg-Mo-S, expected DyMg2Mo3S16 to be DyMg2Mo3S8" +mp-1247085,Dy3Mg2MoS8,-6.1849552486,-1.8308002725,0.1113168059,0.1113168059,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Dy-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Dy-Mg-Mo-S, expected Dy3Mg2MoS22 to be Dy3Mg2MoS8" +mp-1103518,Dy(Mo3S4)2,-8.0156381073,-1.164152345,0.0118793092,0.0118793092,GGA,R-3,AB6C8_hR45_148_a_f_cf:Dy-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Dy-Mo-S +mp-1246620,DyMgMoS4,-6.3023125936,-1.5025245268,0.2094633496,0.2094633496,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Dy-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Dy-Mg-Mo-S, expected DyMgMoS12 to be DyMgMoS4" +mp-557090,Bi2Au5F21,-4.049257413,-1.7567057496,0.0,-0.0159576579,GGA,P4_12_12,A5B2C21_tP112_92_a2b_b_a10b:Au-Bi-F,112.0,"Invalid WP multiplicities - A5B2C21_tP112_92_3a10b_b_3a71b:Au-Bi-F, expected Bi2Au23F145 to be Bi2Au5F21" +mp-1113148,Cs2BiAuF6,-4.437056105,-2.3996511371,0.1138892423,0.1138892423,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Au-Bi-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Au-Bi-Cs-F +mp-1359496,MgMoAsO5,-7.2814994288,-2.0516879136,0.1520345206,0.1520345206,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Mg-Mo-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Mg-Mo-O +mp-607077,Ce(Al4Fe)2,-5.2222956414,-0.4188648945,0.0,-0.0426177114,GGA,Pbam,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ce-Fe,44.0,"Invalid WP multiplicities - A8BC2_oP44_55_2a2d6g18h_g_6g:Al-Ce-Fe, expected Ce(Al13Fe3)2 to be Ce(Al4Fe)2" +mp-1193938,Ce(Al5Fe)2,-4.9977549292,-0.3570710927,0.0,-0.0026469512,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Ce-Fe,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Ce-Fe +mp-1226882,Ce2Al3Fe,-5.6003271283,-0.3381726267,0.0303706525,0.0303706525,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Ce-Fe,6.0,A3B2C_hR18_166_d_c_a:Al-Ce-Fe +mp-16486,Ce(Al2Fe)4,-5.7803720615,-0.4128504742,0.0,-0.0312081785,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ce-Fe,13.0,A8BC4_tI26_139_ij_a_f:Al-Ce-Fe +mp-1226839,Ce2AlFe3,-7.002765065,-0.1657954367,0.0114732875,0.0114732875,GGA,R-3m,AB2C3_hR18_166_a_c_d:Al-Ce-Fe,6.0,AB2C3_hR18_166_a_c_d:Al-Ce-Fe +mp-1192925,Ce3AlFeS7,-6.9007903029,-1.9866225052,0.0,-0.1220243314,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Fe-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Ce-Fe-S +mp-1228022,Ce6Al3Fe11,-7.1185282575,-0.118253471,0.0468321066,0.0468321066,GGA,I4cm,A3B6C11_tI80_108_ac_2a2c_b3cd:Al-Ce-Fe,40.0,A3B6C11_tI80_108_ac_2a2c_b3cd:Al-Ce-Fe +mp-1087545,Zn3CrTe4,-3.7465194475,-0.4958317133,0.1142699847,0.1142699847,GGA,P-43m,AB4C3_cP8_215_a_e_c:Cr-Te-Zn,8.0,AB4C3_cP8_215_a_e_c:Cr-Te-Zn +mp-1046556,Zn4Cr5(TeO6)3,-6.9079522295,-1.8488013538,0.1400428596,0.1400428596,GGA+U,C2/c,A5B18C3D4_mC120_15_e2f_9f_af_2f:Cr-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_e4f_35f_c2f_6f:Cr-O-Te-Zn, expected Zn12Cr9(TeO14)5 to be Zn4Cr5(TeO6)3" +mp-17158,Ta3Co3C,-9.7894310089,-0.3427236136,0.0495823587,0.0495823587,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Co-Ta,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_2d2e_f:C-Co-Ta, expected Ta3Co6C to be Ta3Co3C" +mp-569568,Ta3AlC2,-10.1976677833,-0.5682944992,0.0,-0.0106651975,GGA,P6_3/mmc,AB2C3_hP12_194_b_f_af:Al-C-Ta,12.0,AB2C3_hP12_194_b_f_af:Al-C-Ta +mp-10037,AlCo3C,-7.083075222,-0.2232362805,0.0213543305,0.0213543305,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Co,5.0,ABC3_cP5_221_a_b_c:Al-C-Co +mp-1218035,Ta3AlCo8,-8.2490963042,-0.2336420475,0.0852899347,0.0852899347,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Al-Co-Ta,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Al-Co-Ta, expected Ta3AlCo20 to be Ta3AlCo8" +mp-1190760,Ta3Al2C,-9.1655599271,-0.45003492,0.0008856861,0.0008856861,GGA,P4_132,A2BC3_cP24_213_c_a_d:Al-C-Ta,24.0,A2BC3_cP24_213_c_a_d:Al-C-Ta +mp-1208344,Ta5Al3C,-9.2084049033,-0.3468181108,0.0363688017,0.0363688017,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Al-C-Ta,18.0,A3BC5_hP18_193_g_b_dg:Al-C-Ta +mp-1025441,Ta2AlC,-9.6961582312,-0.5237090856000001,0.0,-0.0069366675,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Ta,8.0,ABC2_hP8_194_c_a_f:Al-C-Ta +mp-1079066,Ta2AlC,-9.2011556662,-0.0287065206,0.495002565,0.4880658975,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Ta,8.0,ABC2_hP8_194_c_a_f:Al-C-Ta +mp-1194051,Ta4Co2C,-10.5108016443,-0.3855999868,0.0130395742,0.0130395742,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Co-Ta,28.0,AB2C4_cF112_227_c_e_df:C-Co-Ta +mp-510486,Ta3Al2CoC,-9.0604307229,-0.5745067461000001,0.0,-0.0649747302,GGA,Fd-3m,A2BCD3_cF112_227_e_c_d_f:Al-C-Co-Ta,28.0,A2BCD3_cF112_227_e_c_d_f:Al-C-Co-Ta +mp-3340,TaAlCo2,-7.934380045,-0.4793827825,0.0,-0.0487493376,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Ta,4.0,AB2C_cF16_225_a_c_b:Al-Co-Ta +mp-3803,Ta4AlC3,-10.3554145594,-0.4975792059,0.0770102038,0.0724740556,GGA,P6_3/mmc,AB3C4_hP16_194_c_ae_2f:Al-C-Ta,16.0,"Invalid WP multiplicities - AB3C4_hP16_194_c_2a2e_2f:Al-C-Ta, expected Ta4AlC6 to be Ta4AlC3" +mp-3802,Ta4AlC3,-10.4324247631,-0.5745894097,0.0,-0.0045361481,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-C-Ta,16.0,"Invalid WP multiplicities - AB3C4_hP16_194_c_2a2f_ef:Al-C-Ta, expected Ta4AlC6 to be Ta4AlC3" +mp-1212042,Ta12Al4CoC,-5.628900895,4.0162445587,4.3224520169,4.3224520169,GGA,Fd-3m,A4BCD12_cF144_227_e_a_b_g:Al-C-Co-Ta,36.0,A4BCD12_cF144_227_e_a_b_g:Al-C-Co-Ta +mp-20164,Mn3GaC,-6.03159913,1.9169623482,2.037093279,2.0262612139,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Ga-Mn,5.0,ABC3_cP5_221_a_b_c:C-Ga-Mn +mp-21313,Mn3GaC,-8.068692409,-0.1201309308,0.0,-0.0108320651,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Mn,10.0,ABC3_hR15_166_a_b_d:C-Ga-Mn +mp-1221882,Mn6ZnGaC2,-5.814861749,1.956864488,2.0539219205,2.0539219205,GGA,P4/mmm,A2BC6D_tP10_123_h_a_efg_b:C-Ga-Mn-Zn,10.0,"Invalid WP multiplicities - A2BC6D_tP10_123_h_a_2e2fg_b:C-Ga-Mn-Zn, expected Mn10ZnGaC2 to be Mn6ZnGaC2" +mp-1041088,CuBiO4,-5.5309257752,-0.9098506677,0.1761681837,0.1761681837,GGA,P2_1/c,ABC4_mP48_14_2e_2e_8e:Bi-Cu-O,48.0,"Invalid WP multiplicities - ABC4_mP48_14_5e_6e_26e:Bi-Cu-O, expected Cu6Bi5O26 to be CuBiO4" +mp-757768,Cu10Bi25O48,-5.9832356328,-1.4718458365,0.0202561139,0.0202561139,GGA,P4,A25B10C48_tP83_75_a6d_4a6b_12d:Bi-Cu-O,83.0,"Invalid WP multiplicities - A25B10C48_tP83_75_a24d_4a6b_48d:Bi-Cu-O, expected Cu10Bi97O192 to be Cu10Bi25O48" +mp-30450,Mn3(CuBi)4,-5.2337310418,0.1521625106,0.1521625106,0.1521625106,GGA,Fm-3m,A4B4C3_cF88_225_ce_f_d:Bi-Cu-Mn,22.0,A4B4C3_cF88_225_ce_f_d:Bi-Cu-Mn +mp-997054,CuBiO2,-5.731528775,-1.2732604694,0.0097769497,0.0097769497,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Bi-Cu-O,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Bi-Cu-O, expected CuBiO3 to be CuBiO2" +mp-997055,CuBiO2,-5.7006711112,-1.2424028056,0.0406346134,0.0406346134,GGA,Immm,ABC2_oI16_71_e_g_n:Bi-Cu-O,8.0,ABC2_oI16_71_e_g_n:Bi-Cu-O +mp-560165,Cu(BiO2)2,-5.8875754350000005,-1.37801261,0.0883158689,0.0789024607,GGA,I4cm,A2BC4_tI28_108_c_a_d:Bi-Cu-O,14.0,A2BC4_tI28_108_c_a_d:Bi-Cu-O +mp-505042,Cu(BiO2)2,-5.9758913039,-1.4663284789,0.0,-0.0094134082,GGA,P4/ncc,A2BC4_tP28_130_f_c_g:Bi-Cu-O,28.0,A2BC4_tP28_130_f_c_g:Bi-Cu-O +mp-1232323,Cu(BiO2)2,-5.8996753786,-1.3901125536,0.0762159254,0.0668025171,GGA,I4/mmm,A2BC4_tI14_139_e_a_cd:Bi-Cu-O,7.0,A2BC4_tI14_139_e_a_cd:Bi-Cu-O +mp-1638973,Mn4Cu3BiO12,-7.146359831,-1.5390380888,0.0442525096,0.0442525096,GGA+U,C2/m,AB3C4D12_mC40_12_a_bcd_ef_2i2j:Bi-Cu-Mn-O,20.0,AB3C4D12_mC40_12_a_bcd_ef_2i2j:Bi-Cu-Mn-O +mp-1210616,Mn4Cu3BiO12,-7.153392128,-1.5460703858,0.0372202126,0.0372202126,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Bi-Cu-Mn-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Bi-Cu-Mn-O +mp-1184051,CuBiO3,-5.659147852,-1.1031954653,0.1673791876,0.1673791876,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Cu-O,5.0,ABC3_cP5_221_a_b_c:Bi-Cu-O +mp-559792,Nd2As6Xe5F46,-4.4377783875,-2.3089663764,0.0,-0.0102323526,GGA,C2/m,A6B46C2D5_mC118_12_3i_11i6j_i_a2i:As-F-Nd-Xe,59.0,"Invalid WP multiplicities - A6B46C2D5_mC118_12_4i_21i23j_i_a3i:As-F-Nd-Xe, expected Nd2As8Xe7F134 to be Nd2As6Xe5F46" +mp-1110715,K2RbTaCl6,-4.486404646,-1.8713716904,0.202327392,0.202327392,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Ta +mp-1111216,K2RbErCl6,-4.292134845,-2.4061077713,0.0949115215,0.0949115215,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Rb +mp-1114041,KRb2ErCl6,-4.346459012,-2.4734184258000003,0.030269481,0.030269481,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Er-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Er-K-Rb +mp-1112610,Cs2TaHgF6,-5.411849591,-2.8697359366,0.0,-0.0173133343,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Ta +mp-1110606,Rb2MnAgF6,-5.1478791600000005,-2.6054278355,0.020272637,0.020272637,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mn-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mn-Rb +mp-1220260,Nd3Sm(GaO3)4,-7.5858116075,-3.0610277546,0.0362292297,0.0362292297,GGA,Pm,A4B3C12D_mP20_6_2c_a2b_2a2b4c_a:Ga-Nd-O-Sm,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_6_4c_a2b_2a2b8c_a:Ga-Nd-O-Sm, expected Nd3Sm(Ga2O5)4 to be Nd3Sm(GaO3)4" +mp-1113282,Cs2TlHgI6,-2.403940499,-1.0742078634,0.0616707619,0.0616707619,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Tl,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Tl +mp-726753,Ba(ClO)2,-4.0201886395,-0.918303503,1.028797124,1.028797124,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Cl-O,20.0,AB2C2_mP20_14_e_2e_2e:Ba-Cl-O +mp-1190301,Ba(ClO)2,-3.9956615685,-0.893776432,1.053324195,1.053324195,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Cl-O,20.0,AB2C2_mP20_14_e_2e_2e:Ba-Cl-O +mp-23063,Ba4Cl6O,-5.1492574555,-2.9934566890000003,0.0,-0.0502653727,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ba-Cl-O,22.0,A4B6C_hP22_186_bc_2c_b:Ba-Cl-O +mp-1182337,BaClO3,-4.900270702,-1.1787551553,0.5310445152000001,0.5310445152000001,GGA,P1,ABC3_aP10_1_2a_2a_6a:Ba-Cl-O,10.0,ABC3_aP10_1_2a_2a_6a:Ba-Cl-O +mp-1182237,BaClO3,-4.934675693,-1.2131601463,0.4966395242,0.4966395242,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Ba-Cl-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_5e:Ba-Cl-O, expected BaClO5 to be BaClO3" +mp-1080782,BaClO3,-4.514344352,-0.7928288053,0.9169708652,0.9169708652,GGA,P4/nmm,ABC3_tP10_129_c_c_cf:Ba-Cl-O,10.0,ABC3_tP10_129_c_c_cf:Ba-Cl-O +mp-779498,Ba3(ClO)2,-5.6297224848,-2.8658116902,0.0470841252,0.0470841252,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:Ba-Cl-O,56.0,"Invalid WP multiplicities - A3B2C2_mP56_14_21e_15e_13e:Ba-Cl-O, expected Ba21Cl15O13 to be Ba3(ClO)2" +mp-1178551,Ba3(ClO)2,-5.6534294029000005,-2.8895186082,0.0233772071,0.0233772071,GGA,P2_1/c,A3B2C2_mP14_14_ae_e_e:Ba-Cl-O,14.0,A3B2C2_mP14_14_ae_e_e:Ba-Cl-O +mp-756978,Ba3(ClO)2,-5.6026479964,-2.8387372018,0.0741586136,0.0741586136,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Cl-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Cl-O, expected Ba9Cl5O2 to be Ba3(ClO)2" +mp-752693,Ba3(ClO)2,-5.6161390818,-2.8522282871,0.0606675282,0.0606675282,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Cl-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Cl-O, expected Ba9Cl5O2 to be Ba3(ClO)2" +mp-752715,Ba3(ClO)2,-5.6209926707,-2.8570818761,0.0558139393,0.0558139393,GGA,Pnma,A3B2C2_oP28_62_3c_2c_d:Ba-Cl-O,28.0,"Invalid WP multiplicities - A3B2C2_oP28_62_9c_5c_d:Ba-Cl-O, expected Ba9Cl5O2 to be Ba3(ClO)2" +mp-1214435,BaClO,-5.2470794117,-2.3423459746,0.2334882772,0.2334882772,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Cl-O,12.0,ABC_oP12_62_c_c_c:Ba-Cl-O +mp-28512,Ba(ClO3)2,-5.1727522967,-1.2509544603,0.0153875314,0.0153875314,GGA,Fdd2,AB2C6_oF72_43_a_b_3b:Ba-Cl-O,18.0,"Invalid WP multiplicities - AB2C6_oF72_43_a_b_4b:Ba-Cl-O, expected Ba(ClO4)2 to be Ba(ClO3)2" +mp-1194474,BaCl2O11,-4.66068533,-0.3728550383,0.5005639131,0.5005639131,GGA,P2_1,AB2C11_mP28_4_a_2a_11a:Ba-Cl-O,28.0,"Invalid WP multiplicities - AB2C11_mP28_4_a_2a_20a:Ba-Cl-O, expected Ba(ClO10)2 to be BaCl2O11" +mp-1192931,BaCl2O11,-4.5376028636,-0.2497725719,0.6236463796,0.6236463796,GGA,P6_3/m,AB2C11_hP28_176_b_f_fhi:Ba-Cl-O,28.0,AB2C11_hP28_176_b_f_fhi:Ba-Cl-O +mp-1190390,Ba(ClO4)2,-5.2197657518,-1.11162412,0.0,-0.0881159252,GGA,Fddd,AB2C8_oF88_70_a_e_2h:Ba-Cl-O,22.0,AB2C8_oF88_70_a_e_2h:Ba-Cl-O +mp-1182162,BaCd(ClO)4,-4.07502229,-1.0727456715,0.4326931225,0.4326931225,GGA,P-1,ABC4D4_aP20_2_i_i_4i_4i:Ba-Cd-Cl-O,20.0,ABC4D4_aP20_2_i_i_4i_4i:Ba-Cd-Cl-O +mp-725961,BaCl2O,-4.1838827675,-1.5431985247000002,0.7868288347,0.7868288347,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-Cl-O,16.0,AB2C_oP16_62_c_2c_c:Ba-Cl-O +mp-1093783,NaTl2Au,-1.56041319,0.7700102067,0.9538517852,0.9538517852,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Na-Tl,4.0,ABC2_oI8_71_a_b_e:Au-Na-Tl +mp-1202061,K19Na6Tl24Au,-1.8927701966,-0.1125692111,0.0213628425,0.0213628425,GGA,P-62m,AB19C6D24_hP100_189_c_dfgijkl_l_fg3ijkl:Au-K-Na-Tl,100.0,AB19C6D24_hP100_189_c_dfgijkl_l_fg3ijkl:Au-K-Na-Tl +mp-31470,Na4TlAu,-2.0050837483,-0.1839793616,0.0136267048,0.0136267048,GGA,Fmmm,AB4C_oF48_69_f_gho_g:Au-Na-Tl,12.0,"Invalid WP multiplicities - AB4C_oF48_69_f_2g2ho_g:Au-Na-Tl, expected Na6TlAu to be Na4TlAu" +mp-1180884,KHfCu3Se4,-5.0076057189,-0.8577330636,0.0962531867,0.0962531867,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Hf-K-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Hf-K-Se +mp-1006593,K3Hf2Se11,-4.9028125087,-1.0465249365,0.1594640504,0.1594640504,GGA,P1,A2B3C11_aP128_1_16a_24a_88a:Hf-K-Se,128.0,A2B3C11_aP128_1_16a_24a_88a:Hf-K-Se +mp-1212633,LaGaGe2O7,-7.326191365,-2.6137386544,0.0,-0.007586109,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Ga-Ge-La-O,44.0,AB2CD7_mP44_14_e_2e_e_7e:Ga-Ge-La-O +mp-652961,La3GaGe5O16,-7.5387593456,-2.7348283059,0.0009345986,0.0009345986,GGA,P-1,AB5C3D16_aP50_2_i_5i_3i_16i:Ga-Ge-La-O,50.0,"Invalid WP multiplicities - AB5C3D16_aP50_2_i_10i_5i_31i:Ga-Ge-La-O, expected La5GaGe10O31 to be La3GaGe5O16" +mp-864987,MnZnRh2,-6.58922807,-0.3016344095,0.0,-0.0202911025,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Mn-Rh-Zn +mp-1093837,MnZn2Rh,-2.7510998075,2.010352788,2.2725710318,2.2725710318,GGA,Immm,ABC2_oI8_71_a_b_e:Mn-Rh-Zn,4.0,ABC2_oI8_71_a_b_e:Mn-Rh-Zn +mp-1211205,MnZn10(B4Rh9)2,-6.0192027972,-0.4042804399,0.0076233325,0.0076233325,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Mn-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Mn-Rh-Zn +mp-1102855,ScGeIr,-7.5532359417,-0.955258895,0.0,-0.0721276385,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Ir-Sc,12.0,ABC_oP12_62_c_c_c:Ge-Ir-Sc +mp-1208986,Sc2GeB2Ir5,-8.275533957,-0.7916419063,0.0,-0.0795175649,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Ge-Ir-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Ge-Ir-Sc +mp-1209061,Sc4Ge6Ir7,-7.622411235299999,-0.8614063641,0.0,-0.1045254686,GGA,Im-3m,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Sc,17.0,A6B7C4_cI34_229_e_ad_c:Ge-Ir-Sc +mp-569126,AgBi(PSe3)2,-4.319819855,-0.4723079537,0.0,-0.0233955649,GGA,R-3,ABC2D6_hR60_148_c_c_2c_2f:Ag-Bi-P-Se,20.0,"Invalid WP multiplicities - ABC2D6_hR60_148_c_c_3c_7f:Ag-Bi-P-Se, expected AgBi(PSe7)3 to be AgBi(PSe3)2" +mp-978920,Tb2Be2O5,-7.8988537744,-3.2898536093,0.3030002899,0.3030002899,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Be-O-Tb,9.0,A2B5C2_tP9_123_h_ci_ab:Be-O-Tb +mp-1187310,TbBeO3,-7.54468718,-2.9019181602,0.331650349,0.331650349,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Tb,5.0,AB3C_cP5_221_b_c_a:Be-O-Tb +mp-1208513,Tb2Be2GeO7,-7.9526757075,-3.2862251439,0.0,-0.0211097308,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Tb,24.0,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Tb +mp-1226583,Co(ReO3)2,-8.6658130794,-1.8127570314,0.08621184,0.08621184,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Co-O-Re,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_4f3j_e:Co-O-Re, expected Co(ReO10)2 to be Co(ReO3)2" +mp-698580,Co7Re17O48,-8.7451556256,-1.8179855582,0.0822299842,0.0822299842,GGA+U,P1,A7B48C17_aP72_1_7a_48a_17a:Co-O-Re,72.0,A7B48C17_aP72_1_7a_48a_17a:Co-O-Re +mp-561870,Sr2CoReO6,-7.736410139,-2.4752137236,0.0382074046,0.0382074046,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-Re-Sr,40.0,AB6CD2_mP20_14_a_3e_d_e:Co-O-Re-Sr +mp-31515,Sr2CoReO6,-7.733550091,-2.4723536756,0.0410674526,0.0410674526,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Co-O-Re-Sr,20.0,AB6CD2_tI20_87_a_eh_b_d:Co-O-Re-Sr +mp-1104481,Co(ReO6)2,-7.190488806,-1.0999796927,0.395480133,0.395480133,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Co-O-Re,15.0,AB12C2_aP15_2_a_6i_i:Co-O-Re +mp-1218565,Sr4Co3ReO12,-7.288164108,-2.2937781621,0.0430096643,0.0430096643,GGA+U,P4/mmm,A3B12CD4_tP20_123_abc_ghjk_d_i:Co-O-Re-Sr,20.0,"Invalid WP multiplicities - A3B12CD4_tP20_123_abc_2g2h4j4k_d_i:Co-O-Re-Sr, expected Sr4Co3ReO40 to be Sr4Co3ReO12" +mp-28783,CoReO4,-8.2336779133,-1.6770779425,0.1922468396,0.1922468396,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Co-O-Re,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2g2j_c:Co-O-Re, expected CoReO8 to be CoReO4" +mp-550479,Co(ReO4)2,-8.545487960900001,-2.0390441559,0.0002192427,-0.139005849,GGA+U,P-3,AB8C2_hP11_147_a_dg_d:Co-O-Re,22.0,AB8C2_hP11_147_a_dg_d:Co-O-Re +mp-31516,Co(ReO4)2,-8.5457072036,-2.0392633986,0.0,-0.1392250917,GGA+U,P-3m1,AB8C2_hP11_164_a_di_d:Co-O-Re,22.0,AB8C2_hP11_164_a_di_d:Co-O-Re +mp-1226962,Cd2InAgS4,-3.7519410262,-0.7549636861,0.0258354831,0.0258354831,GGA,Cm,AB2CD4_mC16_8_a_2a_a_4a:Ag-Cd-In-S,8.0,AB2CD4_mC16_8_a_2a_a_4a:Ag-Cd-In-S +mp-1220821,NaBi3(BrO2)2,-5.298020811,-1.7243403922,0.0,-0.019139791,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Br-Na-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Br-Na-O +mp-1041153,HoZn(NiO3)2,-6.4618823325,-1.7536265217,0.1166847855,0.1166847855,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ho-Ni-O-Zn,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ho-Ni-O-Zn, expected HoZn(NiO6)2 to be HoZn(NiO3)2" +mp-19490,PrTl(MoO4)2,-8.0617315546,-2.3610349869,0.0,-0.0128340356,GGA+U,Pbcn,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Pr-Tl,48.0,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Pr-Tl +mp-17729,PrTl(MoO4)2,-8.0558970696,-2.3552005019,0.005834485,-0.0069995506,GGA+U,P4/nnc,A2B8CD_tP24_126_d_k_a_b:Mo-O-Pr-Tl,24.0,A2B8CD_tP24_126_d_k_a_b:Mo-O-Pr-Tl +mp-754046,PrTlO3,-6.16928629,-1.7725632829,0.6477328664,0.6477328664,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pr-Tl,5.0,A3BC_cP5_221_c_b_a:O-Pr-Tl +mp-5029,Ho2Cu2O5,-7.2923883353,-2.6149800424,0.0456732524,0.0456732524,GGA,Pna2_1,A2B2C5_oP36_33_2a_2a_5a:Cu-Ho-O,36.0,A2B2C5_oP36_33_2a_2a_5a:Cu-Ho-O +mp-754263,Ho2CuO4,-7.8441138721,-3.1225739786,0.028714232,0.028714232,GGA,Cmce,AB2C4_oC28_64_a_d_ef:Cu-Ho-O,14.0,"Invalid WP multiplicities - AB2C4_oC28_64_a_d_2e3f:Cu-Ho-O, expected Ho2CuO10 to be Ho2CuO4" +mp-754327,Ho2CuO4,-7.8232308214,-3.1016909279,0.0495972827,0.0495972827,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Cu-Ho-O,7.0,"Invalid WP multiplicities - AB2C4_tI14_139_a_e_2c2d:Cu-Ho-O, expected Ho2CuO8 to be Ho2CuO4" +mp-1184736,HoCuO3,-6.922426854,-2.2180905192,0.252366339,0.252366339,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Ho-O,5.0,ABC3_cP5_221_b_a_c:Cu-Ho-O +mp-1206781,HoCu2SeO2,-5.1048159167,-0.7431307316,1.229275252,1.229275252,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Cu-Ho-O-Se,6.0,A2BC2D_tP6_123_g_a_g_b:Cu-Ho-O-Se +mp-754472,HoCuO2,-7.4030942075,-2.7593459669,0.0040220211,0.0040220211,GGA,R-3m,ABC2_hR12_166_a_b_c:Cu-Ho-O,4.0,ABC2_hR12_166_a_b_c:Cu-Ho-O +mp-1178161,HoCuO2,-7.4037525012,-2.7600042606,0.0033637273,0.0033637273,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cu-Ho-O,8.0,ABC2_hP8_194_c_a_f:Cu-Ho-O +mp-9421,Ho(CuO2)2,-6.7408668557,-2.0883558479,0.0,-0.0801171639,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Cu-Ho-O,14.0,A2BC4_tI28_88_c_b_f:Cu-Ho-O +mp-1219557,RbMnCuS2,-5.426699002,-0.9237678483,0.0,-0.057656198,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Cu-Mn-Rb-S,5.0,ABCD2_tI10_119_a_b_c_f:Cu-Mn-Rb-S +mp-1196315,BaCe(SnS3)2,-5.5305382877,-1.4615475871,0.0068769467,0.0068769467,GGA,Pmc2_1,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Ce-S-Sn,40.0,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Ce-S-Sn +mp-557988,Ni3TeMo2O11,-7.3356670647,-1.6539851837,0.0015990751,0.0015990751,GGA+U,C2/m,A2B3C11D_mC68_12_gi_ij_3i4j_i:Mo-Ni-O-Te,34.0,"Invalid WP multiplicities - A2B3C11D_mC68_12_2g2i_2i2j_5i15j_i:Mo-Ni-O-Te, expected Ni6TeMo4O35 to be Ni3TeMo2O11" +mp-1198070,Ni3Te2MoO10,-6.7977530462,-1.5515306057,0.0,-0.0075842181,GGA+U,P2_12_12_1,AB3C10D2_oP64_19_a_3a_10a_2a:Mo-Ni-O-Te,64.0,AB3C10D2_oP64_19_a_3a_10a_2a:Mo-Ni-O-Te +mp-1220151,Ni(Te4Mo3)2,-6.865897272,-0.4658649729,0.0009231562,0.0009231562,GGA,P1,A6BC8_aP15_1_6a_a_8a:Mo-Ni-Te,15.0,A6BC8_aP15_1_6a_a_8a:Mo-Ni-Te +mp-1204457,Ni3Te(MoO7)6,-6.0564428101,-0.4157016088,0.7431385172,0.7431385172,GGA+U,R-3c,A6B3C42D_hR312_167_f_e_7f_b:Mo-Ni-O-Te,104.0,A6B3C42D_hR312_167_f_e_7f_b:Mo-Ni-O-Te +mp-1180394,Pr2Hf3(MoO4)9,-8.872212103,-2.5697116391,0.0,-0.0116237529,GGA+U,R-3c,A3B9C36D2_hR300_167_bc_ef_6f_c:Hf-Mo-O-Pr,100.0,A3B9C36D2_hR300_167_bc_ef_6f_c:Hf-Mo-O-Pr +mp-778259,PrHfO4,-9.2584023096,-3.5042607046,0.0626772583,0.0626772583,GGA,P4_3,AB4C_tP48_78_2a_8a_2a:Hf-O-Pr,48.0,"Invalid WP multiplicities - AB4C_tP48_78_8a_31a_8a:Hf-O-Pr, expected Pr8Hf8O31 to be PrHfO4" +mp-1101671,PrHfO4,-9.2435722975,-3.4894306925,0.0775072704,0.0775072704,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Hf-O-Pr,12.0,AB4C_tI24_88_a_f_b:Hf-O-Pr +mp-1101717,PrHfO4,-9.2536783273,-3.4995367223,0.0674012406,0.0674012406,GGA,P2_13,AB4C_cP96_198_ab_4a4b_ab:Hf-O-Pr,96.0,"Invalid WP multiplicities - AB4C_cP96_198_4a5b_14a39b_2a3b:Hf-O-Pr, expected Pr11Hf19O131 to be PrHfO4" +mp-755462,PrHfO3,-9.4575905385,-3.5419583547,0.1352683152,0.1352683152,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hf-O-Pr,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Hf-O-Pr, expected PrHfO7 to be PrHfO3" +mp-1186747,PrHfO3,-9.369105914,-3.4534737302,0.2237529397,0.2237529397,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hf-O-Pr,5.0,AB3C_cP5_221_b_c_a:Hf-O-Pr +mp-1210271,PrHfO14,-5.8198233634,-0.570339817,0.7672619191000001,0.7672619191000001,GGA,Fd-3m,AB14C_cF128_227_b_cg_a:Hf-O-Pr,32.0,AB14C_cF128_227_b_cg_a:Hf-O-Pr +mp-20922,Dy3GaC,-4.02667787,1.188746537,1.606714689,1.606714689,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Dy-Ga,5.0,AB3C_cP5_221_a_c_b:C-Dy-Ga +mp-1225932,Dy2Ga3(Fe7C)2,-7.544602971,-0.1476748913,0.0212910382,0.0212910382,GGA,C2/m,A2B2C14D3_mC42_12_e_i_h2i2j_af:C-Dy-Fe-Ga,21.0,"Invalid WP multiplicities - A2B2C14D3_mC42_12_f_i_2h3i3j_ae:C-Dy-Fe-Ga, expected Dy2Ga3(Fe11C)2 to be Dy2Ga3(Fe7C)2" +mp-1224135,Ho(GaFe)6,-5.83325495,-0.1739386219,0.1477204477,0.1004995817,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Ho,13.0,A6B6C_oF52_69_dm_em_a:Fe-Ga-Ho +mp-1104739,Ho(GaFe)6,-5.9809753977,-0.3216590696,0.0,-0.047220866,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Ho,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Ho +mp-1106297,Ho4Ga12Fe,-4.2354374641,-0.5215075253,0.0,-0.0075378519,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Fe-Ga-Ho,17.0,AB12C4_cI34_229_a_de_c:Fe-Ga-Ho +mp-10279,Ho3GaC,-4.01324139,1.187556235,1.618684529,1.618684529,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-Ga-Ho,5.0,ABC3_cP5_221_a_b_c:C-Ga-Ho +mp-1102211,Ho2Ga8Fe,-4.2508790745,-0.4454602445,0.0100493659,0.0100493659,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Ho,11.0,AB8C2_tP11_123_a_ehi_g:Fe-Ga-Ho +mp-1224299,Ho2Ga4Fe13C2,-7.0676934829,0.0677735907,0.2645980222,0.2645980222,GGA,P1,A2B13C4D2_aP21_1_2a_13a_4a_2a:C-Fe-Ga-Ho,21.0,A2B13C4D2_aP21_1_2a_13a_4a_2a:C-Fe-Ga-Ho +mp-1224208,Ho2Ga3(Fe7C)2,-7.5456952557,-0.1510888875,0.0187654771,0.0187654771,GGA,C2/m,A2B14C3D2_mC42_12_e_h2i2j_af_i:C-Fe-Ga-Ho,21.0,"Invalid WP multiplicities - A2B14C3D2_mC42_12_f_2h3i3j_ae_i:C-Fe-Ga-Ho, expected Ho2Ga3(Fe11C)2 to be Ho2Ga3(Fe7C)2" +mp-1224158,Ho2Ga3Fe,-4.9299661867,-0.4767783504,0.0597700298,0.0597700298,GGA,Cm,AB3C2_mC12_8_a_3a_2a:Fe-Ga-Ho,6.0,AB3C2_mC12_8_a_3a_2a:Fe-Ga-Ho +mp-1219100,SmErFe17,-8.0630838958,0.0041090261,0.025070221,0.025070221,GGA,R3m,AB17C_hR57_160_a_2a3bc_a:Er-Fe-Sm,19.0,AB17C_hR57_160_a_2a3bc_a:Er-Fe-Sm +mp-1219139,SmEr3Fe34,-8.0691662139,-0.0059434849,0.0254983075,0.0254983075,GGA,P-6m2,A3B34C_hP38_187_abc_hilm3n_f:Er-Fe-Sm,38.0,"Invalid WP multiplicities - A3B34C_hP38_187_abc_h2ilm4n_f:Er-Fe-Sm, expected Sm(ErFe14)3 to be SmEr3Fe34" +mp-1219129,SmErFe17C2,-8.2272311467,-0.0494217895,0.0225842162,0.0225842162,GGA,Cm,A2BC17D_mC42_8_b_a_5a6b_a:C-Er-Fe-Sm,21.0,"Invalid WP multiplicities - A2BC17D_mC42_8_b_a_5a9b_a:C-Er-Fe-Sm, expected SmErFe23C2 to be SmErFe17C2" +mp-1219072,SmErFe4,-7.2381267517,-0.0437284542,0.0226486631,0.0226486631,GGA,F-43m,AB4C_cF24_216_a_e_c:Er-Fe-Sm,6.0,AB4C_cF24_216_a_e_c:Er-Fe-Sm +mp-561499,Dy3CuSnS7,-5.9460111708,-1.7056538281,0.0090476021,0.0090476021,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Dy-S-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b10c_b:Cu-Dy-S-Sn, expected Dy3CuSnS32 to be Dy3CuSnS7" +mp-1120784,Dy2SnS3,-5.8411809775,-1.5690984549,0.406004445,0.406004445,GGA,Cc,A2B3C_mC24_9_2a_3a_a:Dy-S-Sn,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_3a_a:Dy-S-Sn, expected Dy4SnS3 to be Dy2SnS3" +mp-1189757,Dy2SnS5,-5.9629104494,-1.7247360907,0.0228714131,0.0228714131,GGA,Pbam,A2B5C_oP16_55_h_agh_c:Dy-S-Sn,16.0,A2B5C_oP16_55_h_agh_c:Dy-S-Sn +mp-15641,CaMgGe,-3.3113038217,-0.56833456,0.0,-0.1198431665,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Ge-Mg,12.0,ABC_oP12_62_c_c_c:Ca-Ge-Mg +mp-1024043,CaMg3O4,-6.3045017975,-2.9803524381,0.1368416713,0.1368416713,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:Ca-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:Ca-Mg-O, expected CaMg3O7 to be CaMg3O4" +mp-558362,CaMgGeO4,-6.8744318164,-2.8721942979,0.0,-0.0116974675,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Ca-Ge-Mg-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_a_6c5d:Ca-Ge-Mg-O, expected CaMgGeO16 to be CaMgGeO4" +mp-1183532,CaMgO3,-5.924580274,-2.2353910613,0.310670068,0.310670068,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Mg-O,5.0,ABC3_cP5_221_a_b_c:Ca-Mg-O +mp-754218,Tb2SeO2,-7.974442039,-3.442837819,0.042557311,-0.0682819743,GGA,Pnnm,A2BC2_oP10_58_g_a_g:O-Se-Tb,10.0,A2BC2_oP10_58_g_a_g:O-Se-Tb +mp-1101329,Tb2SeO2,-7.97577822,-3.444174,0.04122113,-0.0696181553,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Se-Tb,5.0,A2BC2_tI10_139_d_a_e:O-Se-Tb +mp-755340,Tb2SeO2,-8.01699935,-3.48539513,0.0,-0.1108392853,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Se-Tb,5.0,A2BC2_hP5_164_d_a_d:O-Se-Tb +mp-30313,Tb2Se2O7,-7.221258845,-2.5951337419,0.0,-0.1540730224,GGA,P4_2/ncm,A7B2C2_tP44_138_bij_i_g:O-Se-Tb,44.0,A7B2C2_tP44_138_bij_i_g:O-Se-Tb +mp-17913,Tb2SiSeO4,-8.1577316259,-3.4106420569,0.0,-0.0067580672,GGA,Pbcm,A4BCD2_oP32_57_2e_d_c_cd:O-Se-Si-Tb,32.0,A4BCD2_oP32_57_2e_d_c_cd:O-Se-Si-Tb +mp-1209163,Tb2Se3O20,-5.5255606242,-0.7779509899,0.5071238569000001,0.5071238569000001,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Tb,50.0,A20B3C2_mC100_15_10f_ef_f:O-Se-Tb +mp-39933,TaFeO4,-9.3200938471,-2.6343348996,0.0362450888,0.0235516708,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Fe-O-Ta,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_13a_a:Fe-O-Ta, expected TaFeO13 to be TaFeO4" +mp-754944,TaFeO4,-9.3563389358,-2.6705799883,0.0,-0.0126934179,GGA+U,C2/m,AB4C_mC24_12_i_4i_i:Fe-O-Ta,12.0,"Invalid WP multiplicities - AB4C_mC24_12_i_7i_i:Fe-O-Ta, expected TaFeO7 to be TaFeO4" +mp-755628,TaFeO4,-9.3537787567,-2.6680198092,0.0025601792,-0.0101332387,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Fe-O-Ta,24.0,AB4C_mP12_13_e_2g_f:Fe-O-Ta +mp-755303,TaFeO4,-9.255837565,-2.5700786175,0.1005013708,0.0878079529,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Fe-O-Ta,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_7f_e:Fe-O-Ta, expected TaFeO14 to be TaFeO4" +mp-1217946,TaFeO4,-9.3316495017,-2.6458905542,0.0246894342,0.0119960163,GGA+U,Cmm2,AB4C_oC36_35_2ab_3d3e_a2b:Fe-O-Ta,18.0,AB4C_oC36_35_2ab_3d3e_a2b:Fe-O-Ta +mp-754411,TaFeO4,-9.3260696483,-2.6403107008,0.0302692875,0.0175758696,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Fe-O-Ta,24.0,AB4C_oP24_60_c_2d_c:Fe-O-Ta +mp-1173115,TaFeO4,-9.3264711013,-2.6407121537,0.0298678346,0.0171744167,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Fe-O-Ta,24.0,AB4C_oC12_65_a_gj_c:Fe-O-Ta +mp-861559,TaFeO4,-9.3285973153,-2.6428383678,0.0277416206,0.0150482026,GGA+U,I4_1md,AB4C_tI72_109_3a_6b_3a:Fe-O-Ta,36.0,"Invalid WP multiplicities - AB4C_tI72_109_6a_20b_6a:Fe-O-Ta, expected Ta3Fe3O20 to be TaFeO4" +mp-761390,TaFeO4,-9.3378301917,-2.6520712442,0.0185087442,0.0058153263,GGA+U,I4_1md,AB4C_tI24_109_a_2b_a:Fe-O-Ta,24.0,AB4C_tI24_109_a_2b_a:Fe-O-Ta +mp-1217936,TaMn2FeO6,-9.232690702,-2.3994945328,0.0496344353,0.0496344353,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-Ta,10.0,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-Ta +mp-1173143,Ta2FeO6,-9.8452440174,-2.9712763799,0.0080148887,-0.0355846007,GGA+U,P2,AB6C2_mP54_3_ad2e_18e_2a2d4e:Fe-O-Ta,54.0,"Invalid WP multiplicities - AB6C2_mP54_3_ac4e_36e_2a2c6e:Fe-O-Ta, expected Ta8Fe5O36 to be Ta2FeO6" +mp-1173139,Ta2FeO6,-9.8439712798,-2.9700036423,0.0092876263,-0.0343118631,GGA+U,P2_12_12,AB6C2_oP54_18_ac_9c_2a2c:Fe-O-Ta,54.0,"Invalid WP multiplicities - AB6C2_oP54_18_2a2c_35c_4a6c:Fe-O-Ta, expected Ta8Fe3O35 to be Ta2FeO6" +mp-31755,Ta2FeO6,-9.8532589061,-2.9792912686,0.0,-0.0435994894,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Fe-O-Ta,36.0,AB6C2_tP18_136_a_fj_e:Fe-O-Ta +mp-1096013,Ta2MnFe,-6.2583860375,4.078511903,4.2612974597,4.2612974597,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mn-Ta,4.0,ABC2_oI8_71_a_b_e:Fe-Mn-Ta +mp-1218233,Ta6Mn2FeO18,-9.9793737339,-3.0541472755,0.0056555478,0.0056555478,GGA+U,C2/m,AB2C18D6_mC108_12_i_aci_g9i4j_6i:Fe-Mn-O-Ta,54.0,"Invalid WP multiplicities - AB2C18D6_mC108_12_i_aci_2g17i14j_12i:Fe-Mn-O-Ta, expected Ta12Mn2FeO47 to be Ta6Mn2FeO18" +mp-1208436,Ta2Fe4O9,-9.182309797,-2.3745872302,0.0058497447,0.0058497447,GGA+U,P-3c1,A4B9C2_hP30_165_2d_fg_c:Fe-O-Ta,30.0,A4B9C2_hP30_165_2d_fg_c:Fe-O-Ta +mp-1187220,TaFeO3,-9.176723004,-2.1431500093,0.5382121325,0.5382121325,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Fe-O-Ta,5.0,AB3C_cP5_221_a_c_b:Fe-O-Ta +mp-2228447,MgMn4ZnS8,-6.1051148743,-0.9194231769,0.0825551711,0.0825551711,GGA,C2/m,AB4C8D_mC28_12_c_bde_2ij_a:Mg-Mn-S-Zn,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_a_bde_3i3j_c:Mg-Mn-S-Zn, expected MgMn4ZnS18 to be MgMn4ZnS8" +mp-2228473,MgMn4ZnS8,-6.1067449743,-0.9210532769,0.0809250711,0.0809250711,GGA,C2/m,AB4C8D_mC28_12_c_abe_2ij_d:Mg-Mn-S-Zn,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_c_abe_3i3j_d:Mg-Mn-S-Zn, expected MgMn4ZnS18 to be MgMn4ZnS8" +mp-2228513,MgMn4ZnS8,-6.0817726179,-0.8960809205,0.1058974276,0.1058974276,GGA,R3m,AB4C8D_hR42_160_a_ab_2a2b_a:Mg-Mn-S-Zn,14.0,"Invalid WP multiplicities - AB4C8D_hR42_160_a_ab_2a3b_a:Mg-Mn-S-Zn, expected MgMn4ZnS11 to be MgMn4ZnS8" +mp-2227944,MgMn4ZnS8,-6.13566872,-0.9499770226,0.0520013254,0.0520013254,GGA,F-43m,AB4C8D_cF56_216_a_e_2e_c:Mg-Mn-S-Zn,14.0,AB4C8D_cF56_216_a_e_2e_c:Mg-Mn-S-Zn +mp-1028138,Mg14MnZn,-2.0014573631,0.050147612,0.0867793149,0.0867793149,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Zn, expected Mg18MnZn to be Mg14MnZn" +mp-1028133,Mg14MnZn,-2.0037857069,0.0478192683,0.0844509711,0.0844509711,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Zn, expected Mg26MnZn to be Mg14MnZn" +mp-2232551,MgMn4(ZnS4)2,-5.8251220367,-0.9011602118,0.1048398104,0.1048398104,GGA,Imm2,AB4C8D2_oI30_44_a_cd_2c2d_ab:Mg-Mn-S-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_2cd_4c2d_ab:Mg-Mn-S-Zn, expected MgMn6(ZnS6)2 to be MgMn4(ZnS4)2" +mp-2232137,MgMn4(ZnS4)2,-5.8228508633,-0.8988890384,0.1071109838,0.1071109838,GGA,R-3m,AB4C8D2_hR45_166_b_ad_ch_c:Mg-Mn-S-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_hR45_166_b_ad_2c2h_c:Mg-Mn-S-Zn, expected MgMn4(ZnS8)2 to be MgMn4(ZnS4)2" +mp-2232381,MgMn4(ZnS4)2,-5.5874068873,-0.6634450624,0.3425549598,0.3425549598,GGA,F-43m,AB4C8D2_cF60_216_a_e_2e_bc:Mg-Mn-S-Zn,15.0,AB4C8D2_cF60_216_a_e_2e_bc:Mg-Mn-S-Zn +mp-1023141,Mg6MnZn,-2.4168209131,0.0861089871,0.1329104092,0.1329104092,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Zn, expected Mg12MnZn to be Mg6MnZn" +mp-1023145,Mg6MnZn,-2.4135849644,0.0893449359,0.1361463579,0.1361463579,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Zn, expected Mg12MnZn to be Mg6MnZn" +mp-1113362,Cs2CeCuI6,-3.491353456,-1.4250235891,0.0538132787,0.0538132787,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Ce-Cs-Cu-I,10.0,AB2CD6_cF40_225_a_c_b_e:Ce-Cs-Cu-I +mp-1214752,Ba2AgTe2F,-3.4034057767,-0.9253063371,1.2002619483,1.2002619483,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Ag-Ba-F-Te,6.0,AB2CD2_tP6_123_a_g_b_g:Ag-Ba-F-Te +mp-16742,BaAgTeF,-4.63814405,-2.186565099,0.0,-0.0270219578,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-Te,8.0,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-Te +mp-1111972,K2CuAuCl6,-3.439544948,-1.3710342956,0.0398451403,0.0398451403,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Cu-K +mp-1111084,Na2ScAuF6,-5.178376738,-2.8063491883,0.3172261334,0.3172261334,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Sc +mp-1111979,Cs2NaRhF6,-4.82069209,-2.6260409187,0.0,-0.0663733825,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Rh,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Rh +mp-1110978,Cs2CuBiF6,-4.644099944,-2.5241625091,0.0619766045,0.0619766045,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Cu-F,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Cu-F +mp-560963,Rb2NaMoF6,-5.543240706,-2.9834289707,0.0,-0.0745847978,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Mo-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Mo-Na-Rb +mp-1113414,Cs2InAuI6,-2.723290853,-1.0576339956,0.0805672482,0.0805672482,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-In,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-In +mp-1114135,Rb2InGaI6,-2.774156044,-1.1160514443,0.0503441785,0.0503441785,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-I-In-Rb +mp-1178806,VCdCu3Se4,-4.5165947411000005,-0.4845878799,0.2045424339,0.2045424339,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-V,9.0,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-V +mp-1215463,YbPaO4,-8.819417075,-3.6792457775,0.0,-0.409529815,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Yb,,A4BC_tP6_123_i_a_d:O-Pa-Yb +mp-676985,YbPaO4,-8.418483925,-3.2783126275,0.40093315,-0.008596665,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Yb,,A4BC_tI24_141_f_a_b:O-Pa-Yb +mp-1205639,Ba2YbPaO6,-7.911570434,-3.4543349252,0.0,-0.117075917,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Yb +mp-571587,Na2LiN,-3.0312638588,0.1913532359,0.4261908975,0.4261908975,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Li-N-Na,8.0,"Invalid WP multiplicities - ABC2_tP8_129_a_c_2b2c:Li-N-Na, expected Na4LiN to be Na2LiN" +mp-7149,Na2LiN,-3.25222813,-0.0296110354,0.2052266263,0.2052266263,GGA,P6/mmm,ABC2_hP4_191_b_a_c:Li-N-Na,4.0,ABC2_hP4_191_b_a_c:Li-N-Na +mp-1095990,Ba2NaLi,-0.643034985,1.124314525,1.1350441637,1.1350441637,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Li-Na,4.0,A2BC_oI8_71_e_a_b:Ba-Li-Na +mp-645662,Ba14Na14LiN6,-3.0852567371,-0.3050025747,0.0,-0.0223699913,GGA,Fm-3m,A14BC6D14_cF140_225_ef_a_e_df:Ba-Li-N-Na,35.0,"Invalid WP multiplicities - A14BC6D14_cF140_225_4e5f_a_e_3d3f:Ba-Li-N-Na, expected Ba64Na42LiN6 to be Ba14Na14LiN6" +mp-29928,Na3Li3N2,-3.3999538525,-0.1040370612,0.1862893141,0.1862893141,GGA,Pm,A3B2C3_mP8_6_2ab_ab_a2b:Li-N-Na,8.0,A3B2C3_mP8_6_2ab_ab_a2b:Li-N-Na +mp-628616,Na3Li3N2,-2.9570451562,0.338871635,0.6291980103,0.6291980103,GGA,P-4m2,A3B2C3_tP8_115_abc_g_de:Li-N-Na,8.0,A3B2C3_tP8_115_abc_g_de:Li-N-Na +mp-570185,Ba38Na58Li26N,-1.7074183338000002,-0.019645942,0.0092761145,0.0092761145,GGA,F-43m,A38B26CD58_cF492_216_ac3e2h_2efh_b_eg4h:Ba-Li-N-Na,123.0,"Invalid WP multiplicities - A38B26CD58_cF492_216_ac12e18h_8e4f7h_b_4e5g42h:Ba-Li-N-Na, expected Ba266Na550Li140N to be Ba38Na58Li26N" +mp-645700,Ba14Na11Li5N6,-3.0578114789,-0.2528944991,0.0464231698,0.0464231698,GGA,F-43m,A14B5C6D11_cF144_216_2ef_ae_f_beg:Ba-Li-N-Na,36.0,"Invalid WP multiplicities - A14B5C6D11_cF144_216_5e4f_ae_f_b4e4g:Ba-Li-N-Na, expected Ba44Na41Li5N6 to be Ba14Na11Li5N6" +mp-569525,NaLi5N2,-3.7680321463,-0.3255159617,0.0757878409,0.0757878409,GGA,Pm,A5B2C_mP8_6_2a3b_ab_a:Li-N-Na,8.0,A5B2C_mP8_6_2a3b_ab_a:Li-N-Na +mp-1186148,NaLi5N2,-3.7599993438,-0.3174831592,0.0838206434,0.0838206434,GGA,Pm,A5B2C_mP8_6_2a3b_ab_a:Li-N-Na,8.0,A5B2C_mP8_6_2a3b_ab_a:Li-N-Na +mp-29929,NaLi5N2,-3.5954683425,-0.1529521579,0.2483516447,0.2483516447,GGA,P4/mmm,A5B2C_tP8_123_ai_bc_d:Li-N-Na,8.0,A5B2C_tP8_123_ai_bc_d:Li-N-Na +mp-569025,Ba19Na29Li13,-1.6476007101,-0.0143260439,0.0,-0.0012456183,GGA,F-43m,A19B13C29_cF488_216_ac3e2h_2efh_eg4h:Ba-Li-Na,122.0,"Invalid WP multiplicities - A19B13C29_cF488_216_ac10e15h_6e6f7h_4e5g40h:Ba-Li-Na, expected Ba111Na263Li72 to be Ba19Na29Li13" +mp-567157,Ba7Na5Li3N3,-3.0829358003,-0.261729999,0.037716404,0.037716404,GGA,F-43m,A7B3C3D5_cF144_216_2ef_abe_f_eg:Ba-Li-N-Na,36.0,"Invalid WP multiplicities - A7B3C3D5_cF144_216_6e3f_ab2e_f_2e3g:Ba-Li-N-Na, expected Ba21Na13Li5N3 to be Ba7Na5Li3N3" +mp-567643,Ba12Na15Li8N6,-2.9125274141,-0.2745778735,0.0,-0.0074620527,GGA,R-3m,A12B8C6D15_hR123_166_2h_cf_h_bc2h:Ba-Li-N-Na,41.0,"Invalid WP multiplicities - A12B8C6D15_hR123_166_6h_cf_h_b2c9h:Ba-Li-N-Na, expected Ba36Na59Li8N6 to be Ba12Na15Li8N6" +mp-568700,Na5LiN2,-2.8459304863,0.3033869117,0.4827358597,0.4827358597,GGA,C2,AB2C5_mC16_5_a_c_a2bc:Li-N-Na,8.0,"Invalid WP multiplicities - AB2C5_mC16_5_a_c_a2b2c:Li-N-Na, expected Na7LiN2 to be Na5LiN2" +mp-1180222,Na5LiN2,-3.0553230063,0.0939943917,0.2733433397,0.2733433397,GGA,C2,AB2C5_mC16_5_a_c_a2bc:Li-N-Na,8.0,"Invalid WP multiplicities - AB2C5_mC16_5_a_c_a2b2c:Li-N-Na, expected Na7LiN2 to be Na5LiN2" +mp-29930,Na5LiN2,-3.0328974113,0.1164199867,0.2957689347,0.2957689347,GGA,Pm,AB2C5_mP8_6_a_ab_2a3b:Li-N-Na,8.0,"Invalid WP multiplicities - AB2C5_mP8_10_a_ce_h2m2n:Li-N-Na, expected Na9LiN2 to be Na5LiN2" +mp-1079063,Na5LiN2,-3.0322033413,0.1171140567,0.2964630047,0.2964630047,GGA,P2/m,AB2C5_mP8_10_b_eg_cmn:Li-N-Na,8.0,"Invalid WP multiplicities - AB2C5_mP8_10_a_ce_h2m2n:Li-N-Na, expected Na9LiN2 to be Na5LiN2" +mp-570998,NaLi2N,-3.6212218425,-0.2520053546,0.0938097344,0.0938097344,GGA,P6/mmm,A2BC_hP4_191_c_a_b:Li-N-Na,4.0,A2BC_hP4_191_c_a_b:Li-N-Na +mp-570950,NaLi2N,-2.357575265,1.0116412229,1.3574563119,1.3574563119,GGA,P6/mmm,A2BC_hP4_191_c_b_a:Li-N-Na,4.0,A2BC_hP4_191_c_b_a:Li-N-Na +mp-10525,NaLi2N,-3.3977606425,-0.0285441546,0.3172709344,0.3172709344,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-N-Na,4.0,A2BC_cF16_225_c_a_b:Li-N-Na +mp-1182103,HgPb2Br3O2,-3.8916037184,-1.1064241037,0.1041541227,0.1041541227,GGA,Aea2,A3BC2D2_oC64_41_3b_b_2b_2b:Br-Hg-O-Pb,32.0,A3BC2D2_oC64_41_3b_b_2b_2b:Br-Hg-O-Pb +mp-865465,VCo2Ge,-7.2261543025,-0.2452619238,0.0,-0.0138505592,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-V,4.0,A2BC_cF16_225_c_a_b:Co-Ge-V +mp-1216977,V2FeGe,-8.114573025,-0.2993577238,0.0,-0.0097626108,GGA,Ama2,ABC2_oC16_40_b_b_ab:Fe-Ge-V,8.0,"Invalid WP multiplicities - ABC2_oC16_40_b_b_2ab:Fe-Ge-V, expected V3FeGe to be V2FeGe" +mp-1063914,VFeCoGe,-7.57887373,-0.2575554975,0.0,-0.0222894425,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-V,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ge-V +mp-1016851,HgRuO3,-5.712738898,-0.8291090902,0.3014727525,0.3014727525,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Ru,5.0,AB3C_cP5_221_a_c_b:Hg-O-Ru +mp-560702,BaHgRuO5,-6.2745248704,-1.7457121953,0.0,-0.0989366819,GGA,P6_3/m,ABC5D_hP48_176_bf_h_3hi_h:Ba-Hg-O-Ru,48.0,"Invalid WP multiplicities - ABC5D_hP48_176_2b2f_h_17h5i_h:Ba-Hg-O-Ru, expected Ba2HgRuO27 to be BaHgRuO5" +mp-1225908,CsTi3AlO8,-8.5000415477,-3.2768904752,0.0748359812,0.0748359812,GGA,P1,ABC8D3_aP13_1_a_a_8a_3a:Al-Cs-O-Ti,13.0,ABC8D3_aP13_1_a_a_8a_3a:Al-Cs-O-Ti +mp-1225829,CsTiAlO4,-7.8401073564,-3.2225037759,0.0,-0.0635572855,GGA,Imm2,ABC4D_oI28_44_c_ab_abce_c:Al-Cs-O-Ti,14.0,ABC4D_oI28_44_c_ab_abce_c:Al-Cs-O-Ti +mp-1396958,ZnFeF6,-4.9784572350000005,-2.3286274069,0.0,-0.0065535406,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Fe-Zn,8.0,A6BC_hR24_148_f_a_b:F-Fe-Zn +mp-1225833,CsZnFeF6,-5.2339058428,-2.7790123987,0.0,-0.0279736039,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Fe-Zn,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Fe-Zn, expected CsZnFeF12 to be CsZnFeF6" +mp-1390771,ZnFeF4,-5.3987320575,-2.5027852758,0.0947935717,0.0947935717,GGA+U,Ibam,A4BC_oI24_72_k_c_b:F-Fe-Zn,12.0,A4BC_oI24_72_k_c_b:F-Fe-Zn +mp-1376964,ZnFeF5,-5.3316510764,-2.5763425539,0.0470279548,0.0470279548,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Fe-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Fe-Zn +mp-1387950,ZnFeF5,-5.3339830129,-2.5786744904,0.0446960183,0.0446960183,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Fe-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Fe-Zn, expected ZnFeF7 to be ZnFeF5" +mp-1226057,DyErFe14B,-8.0196288709,-0.111735085,0.0015279085,0.0015279085,GGA,P4_2/mnm,ABCD14_tP68_136_f_g_f_ce2j2k:B-Dy-Er-Fe,68.0,ABCD14_tP68_136_f_g_f_ce2j2k:B-Dy-Er-Fe +mp-1212372,Li3IrF6,-5.033409419,-2.4300017605,0.1551455376,0.1551455376,GGA,P-1,A6BC3_aP10_2_3i_a_bcd:F-Ir-Li,10.0,A6BC3_aP10_2_3i_a_bcd:F-Ir-Li +mp-1237975,Li3IrF6,-5.077892946,-2.4744852875,0.1106620106,0.1106620106,GGA,P-1,A6BC3_aP10_2_3i_b_ach:F-Ir-Li,10.0,A6BC3_aP10_2_3i_b_ach:F-Ir-Li +mp-1111071,Li3IrF6,-4.956116168,-2.3527085095,0.2324387886,0.2324387886,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ir-Li,10.0,A6BC3_cF40_225_e_a_bc:F-Ir-Li +mp-1111113,Li2CuIrF6,-4.712244632,-1.8898085932,0.3775048674,0.3775048674,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ir-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ir-Li +mp-11172,LiIrF6,-4.9968077962,-2.2197789398,0.0,-0.0932299503,GGA,R-3,A6BC_hR24_148_f_a_b:F-Ir-Li,8.0,A6BC_hR24_148_f_a_b:F-Ir-Li +mp-571260,AlInI4,-2.9899998104,-0.9248789837,0.0,-0.0355834583,GGA,P2_1/m,AB4C_mP24_11_2e_4e2f_f:Al-I-In,24.0,"Invalid WP multiplicities - AB4C_mP24_11_2e_8e6f_f:Al-I-In, expected AlInI10 to be AlInI4" +mp-1112896,Cs2AlInI6,-2.928751901,-1.2159256606,0.0433044452,0.0433044452,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-In,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-In +mp-28419,K2TeSe3,-3.5914316354,-0.9494585987,0.0,-0.0013080967,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:K-Se-Te,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2e_7e_e:K-Se-Te, expected K2TeSe7 to be K2TeSe3" +mp-569427,K4Sn(TeSe)2,-3.5605655983,-1.1461653333,0.0,-0.0169252042,GGA,Pnma,A4B2CD2_oP36_62_acd_d_c_2c:K-Se-Sn-Te,36.0,"Invalid WP multiplicities - A4B2CD2_oP36_62_4a3c4d_d_c_4c:K-Se-Sn-Te, expected K15Sn(Te2Se)2 to be K4Sn(TeSe)2" +mp-1214574,Ba6Lu2Ga4O15,-6.9762757033,-3.0181843908,0.0,-0.0207993479,GGA,P2/c,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Lu-O,54.0,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Lu-O +mp-1106213,Nd2MgIrO6,-7.853352217,-2.8878380807,0.0067477086,0.0067477086,GGA,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Ir-Mg-Nd-O,20.0,ABC2D6_mP20_14_a_b_e_3e:Ir-Mg-Nd-O +mp-1210411,Nd23Mg4Ir7,-5.6451795469,-0.411722182,0.0,-0.0002877606,GGA,P6_3mc,A7B4C23_hP68_186_b2c_ac_ab7c:Ir-Mg-Nd,68.0,A7B4C23_hP68_186_b2c_ac_ab7c:Ir-Mg-Nd +mp-567342,Nd4MgIr,-5.280555375,-0.362004715,0.0,-0.0131513124,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ir-Mg-Nd,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_3e4f4g:Ir-Mg-Nd, expected Nd15MgIr to be Nd4MgIr" +mp-1205803,Ba2ErTaO6,-8.596609353,-3.6022514942,0.0,-0.066658334,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Ta +mp-1214023,Ca3Ga3Ge3O14,-6.7761583057,-2.5055577304,0.050560923,0.050560923,GGA,P321,A3B3C3D14_hP23_150_e_f_ad_d2g:Ca-Ga-Ge-O,23.0,A3B3C3D14_hP23_150_e_f_ad_d2g:Ca-Ga-Ge-O +mp-1019565,Ca3Ga2(GeO4)3,-6.920933435,-2.6558164458,0.0,-0.0230735723,GGA,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Ca-Ga-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Ca-Ga-Ge-O +mp-1227514,Ca2Ga2GeO7,-6.7936767175,-2.6839066643,0.0197798746,0.0197798746,GGA,P2_1,A2B2CD7_mP24_4_2a_2a_a_7a:Ca-Ga-Ge-O,24.0,A2B2CD7_mP24_4_2a_2a_a_7a:Ca-Ga-Ge-O +mp-1227716,Ca3Ga2(Ge2O7)2,-6.9101080139,-2.5701625764,0.0128597535,0.0128597535,GGA,C2,A3B2C4D14_mC46_5_ac_c_abc_7c:Ca-Ga-Ge-O,23.0,"Invalid WP multiplicities - A3B2C4D14_mC46_5_ac_c_abc_13c:Ca-Ga-Ge-O, expected Ca3Ga2(Ge2O13)2 to be Ca3Ga2(Ge2O7)2" +mp-1206979,Tl2CoS2,-4.167703198,-0.1464024336,0.4480162565,0.4480162565,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Co-S-Tl,5.0,AB2C2_tI10_139_a_e_d:Co-S-Tl +mp-554212,Tl2Ni3S2,-4.7554806043,-0.4213954518,0.0019659596,0.0019659596,GGA,R-3m,A3B2C2_hR21_166_d_c_ab:Ni-S-Tl,7.0,A3B2C2_hR21_166_d_c_ab:Ni-S-Tl +mp-1207241,Tl2NiS2,-3.17768191,0.5779826314000001,1.1349018028,1.1349018028,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ni-S-Tl,5.0,AB2C2_tI10_139_a_e_d:Ni-S-Tl +mp-5501,Tl(CoS)2,-5.52703149,-0.5565957959,0.0534550353,0.0534550353,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-S-Tl,5.0,A2B2C_tI10_139_d_e_a:Co-S-Tl +mp-559492,Tl(NiS)2,-4.967149502,-0.5279862539,0.0369092397,0.0369092397,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-S-Tl,5.0,A2B2C_tI10_139_d_e_a:Ni-S-Tl +mp-1216615,TlCoNiS2,-5.236371818,-0.5315723469,0.0671595464,0.0671595464,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Co-Ni-S-Tl,5.0,ABC2D_tI10_119_a_b_f_c:Co-Ni-S-Tl +mp-1215782,ZnGa2(TeO3)4,-5.9275663934,-1.7565440901,0.0,-0.00968097,GGA,I-42d,A2B12C4D_tI76_122_d_3e_e_a:Ga-O-Te-Zn,38.0,"Invalid WP multiplicities - A2B12C4D_tI76_122_d_5e_e_a:Ga-O-Te-Zn, expected ZnGa2(TeO5)4 to be ZnGa2(TeO3)4" +mp-21531,U2Mn3Si5,-8.1610998755,-0.4415542709,0.0,-0.0711627518,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Mn-Si-U,40.0,"Invalid WP multiplicities - A3B5C2_tP40_128_2d2h_egh_h:Mn-Si-U, expected U2Mn6Si5 to be U2Mn3Si5" +mp-1207954,U2Mn3Si,-9.5393838433,-0.290353189,0.0,-0.0808364583,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Mn-Si-U,12.0,A3BC2_hP12_194_h_a_f:Mn-Si-U +mp-1216780,UMnFeSi2,-8.394441696,-0.4396251816,0.0048055215,0.0048055215,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Fe-Mn-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Fe-Mn-Si-U +mp-1239188,TaCr3(AgS4)2,-6.3707497889,-0.6869190045,0.2365594018,0.2365594018,GGA,P2_1,A2B3C8D_mP56_4_4a_6a_16a_2a:Ag-Cr-S-Ta,56.0,A2B3C8D_mP56_4_4a_6a_16a_2a:Ag-Cr-S-Ta +mp-1239221,TaCr3(AgS4)2,-6.5675458179,-0.8837150335,0.0397633729,0.0397633729,GGA,Pm,A2B3C8D_mP14_6_ab_a2b_4a4b_a:Ag-Cr-S-Ta,14.0,A2B3C8D_mP14_6_ab_a2b_4a4b_a:Ag-Cr-S-Ta +mp-1239198,TaCr3(AgS4)2,-6.3712211625,-0.6873903781,0.2360880283,0.2360880283,GGA,Pc,A2B3C8D_mP56_7_4a_6a_16a_2a:Ag-Cr-S-Ta,56.0,"Invalid WP multiplicities - A2B3C8D_mP56_7_6a_8a_24a_2a:Ag-Cr-S-Ta, expected TaCr4(AgS4)3 to be TaCr3(AgS4)2" +mp-1239189,TaCr3(AgS4)2,-6.5809838893,-0.8971531049,0.0263253015,0.0263253015,GGA,P2/m,A2B3C8D_mP14_10_cf_aj_mno_b:Ag-Cr-S-Ta,14.0,"Invalid WP multiplicities - A2B3C8D_mP14_10_cf_di_2m2no_e:Ag-Cr-S-Ta, expected TaCr3(AgS6)2 to be TaCr3(AgS4)2" +mp-1239197,TaCr3(AgS4)2,-6.5898439429,-0.9060131585,0.0174652479,0.0174652479,GGA,P2/m,A2B3C8D_mP14_10_l_aj_mno_b:Ag-Cr-S-Ta,14.0,"Invalid WP multiplicities - A2B3C8D_mP14_10_k_aj_2m2n2o_b:Ag-Cr-S-Ta, expected TaCr3(AgS8)2 to be TaCr3(AgS4)2" +mp-1238858,TaCr3(AgS4)2,-6.4814785521000005,-0.7976477677,0.1258306386,0.1258306386,GGA,P2_1/m,A2B3C8D_mP28_11_2e_3e_8e_e:Ag-Cr-S-Ta,28.0,A2B3C8D_mP28_11_2e_3e_8e_e:Ag-Cr-S-Ta +mp-1239175,TaCr3(AgS4)2,-6.5703337839,-0.8865029995,0.0369754068,0.0369754068,GGA,P2_1/m,A2B3C8D_mP28_11_2e_af_4f_c:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_mP28_11_2e_af_7f_d:Ag-Cr-S-Ta, expected TaCr3(AgS7)2 to be TaCr3(AgS4)2" +mp-1239205,TaCr3(AgS4)2,-6.5686323289,-0.8848015445,0.0386768618,0.0386768618,GGA,P2/c,A2B3C8D_mP28_13_ef_ag_4g_d:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_mP28_13_ef_ag_6g_d:Ag-Cr-S-Ta, expected TaCr3(AgS6)2 to be TaCr3(AgS4)2" +mp-1239190,TaCr3(AgS4)2,-6.6026723339,-0.9188415495,0.0046368568,0.0046368568,GGA,P222_1,A2B3C8D_oP28_17_e_abc_4e_d:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_17_e_2a2cd_16e_b:Ag-Cr-S-Ta, expected TaCr5(AgS16)2 to be TaCr3(AgS4)2" +mp-1239199,TaCr3(AgS4)2,-6.6000003561,-0.9161695717,0.0073088347,0.0073088347,GGA,P222_1,A2B3C8D_oP28_17_ab_ce_4e_d:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_17_2a2b_ce_14e_d:Ag-Cr-S-Ta, expected TaCr3(AgS7)4 to be TaCr3(AgS4)2" +mp-1239168,TaCr3(AgS4)2,-6.4975769307,-0.8137461463000001,0.1097322601,0.1097322601,GGA,Pmc2_1,A2B3C8D_oP28_26_ab_a2b_4a4b_a:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_26_2ab_2a2b_5a7b_a:Ag-Cr-S-Ta, expected TaCr4(AgS4)3 to be TaCr3(AgS4)2" +mp-1239194,TaCr3(AgS4)2,-6.4798134514,-0.7959826670000001,0.1274957393,0.1274957393,GGA,Pmc2_1,A2B3C8D_oP28_26_ab_a2b_4a4b_a:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_26_a2b_2a2b_6a6b_a:Ag-Cr-S-Ta, expected TaCr4(AgS4)3 to be TaCr3(AgS4)2" +mp-1239171,TaCr3(AgS4)2,-6.4988340432000005,-0.8150032588,0.1084751476,0.1084751476,GGA,Pmn2_1,A2B3C8D_oP28_31_2a_3a_8a_a:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_31_4a_5a_16a_a:Ag-Cr-S-Ta, expected TaCr5(AgS4)4 to be TaCr3(AgS4)2" +mp-1239232,TaCr3(AgS4)2,-6.4791861014,-0.7953553170000001,0.1281230893,0.1281230893,GGA,Pmn2_1,A2B3C8D_oP28_31_2a_3a_8a_a:Ag-Cr-S-Ta,28.0,"Invalid WP multiplicities - A2B3C8D_oP28_31_4a_5a_16a_a:Ag-Cr-S-Ta, expected TaCr5(AgS4)4 to be TaCr3(AgS4)2" +mp-1239209,TaCr3(AgS4)2,-6.6024240057,-0.9185932213,0.0048851851,0.0048851851,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Ag-Cr-S-Ta,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c3h_a:Ag-Cr-S-Ta, expected TaCr3(AgS11)2 to be TaCr3(AgS4)2" +mp-1184487,Gd2Cr2O5,-10.76966548,-2.7483562604,0.3243187972,0.3243187972,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Cr-Gd-O,9.0,A2B2C5_tP9_123_h_ab_ci:Cr-Gd-O +mp-1224730,Gd2CrSbO7,-9.9674689791,-3.007367691,0.0,-0.0208098031,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Cr-Gd-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Cr-Gd-O-Sb, expected Gd2CrSbO13 to be Gd2CrSbO7" +mp-18331,GdCrO3,-10.8879147045,-3.1740675358,0.0,-0.042304379,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Gd-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Gd-O +mp-1147577,GdCrO3,-10.653252972,-2.9394058032,0.2346617325,0.1923573535,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-Gd-O,5.0,ABC3_cP5_221_b_a_c:Cr-Gd-O +mp-2221948,GdCrO4,-9.9926660208,-2.7400119283,0.0061527925,-0.0763101303,GGA+U,I-42d,ABC4_tI24_122_a_b_e:Cr-Gd-O,12.0,ABC4_tI24_122_a_b_e:Cr-Gd-O +mp-22244,GdCrO4,-9.9988188133,-2.7461647208,0.0,-0.0824629228,GGA+U,I4_1/amd,ABC4_tI24_141_a_b_h:Cr-Gd-O,12.0,ABC4_tI24_141_a_b_h:Cr-Gd-O +mp-1198487,GdCrO5,-9.2195650282,-2.2963345616,0.0575209134,0.0575209134,GGA+U,P2_1/c,ABC5_mP56_14_2e_2e_10e:Cr-Gd-O,56.0,ABC5_mP56_14_2e_2e_10e:Cr-Gd-O +mp-1191420,La3TiBeS7,-6.7179189883,-2.1014127163,0.0311880323,0.0311880323,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Ti,24.0,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Ti +mp-2227086,MgCu2GeS4,-4.7189827288,-0.8480426397,0.0005672138,-1.86738e-05,GGA,Cm,A2BCD4_mC16_8_b_a_a_2ab:Cu-Ge-Mg-S,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Mg-S +mp-2224211,MgCu2GeS4,-4.5660394225,-0.6950993334000001,0.15351052,0.1529246325,GGA,I222,A2BCD4_oI16_23_e_c_a_k:Cu-Ge-Mg-S,8.0,A2BCD4_oI16_23_e_c_a_k:Cu-Ge-Mg-S +mp-1189056,MgCu2GeS4,-4.718721955,-0.8477818659,0.0008279875,0.0002420999999999,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Cu-Ge-Mg-S,16.0,A2BCD4_oP16_31_b_a_a_2ab:Cu-Ge-Mg-S +mp-2224182,MgCu2GeS4,-4.59016441,-0.7192243209,0.1293855325,0.128799645,GGA,Fmm2,A2BCD4_oF32_42_b_a_a_cd:Cu-Ge-Mg-S,8.0,"Invalid WP multiplicities - A2BCD4_oF32_42_b_a_a_2c2d:Cu-Ge-Mg-S, expected MgCu2GeS8 to be MgCu2GeS4" +mp-2222834,MgCu2GeS4,-4.7195499425000005,-0.8486098534000001,0.0,-0.0005858875,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Mg-S,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Mg-S +mp-1222246,Mg2Cu3Ge,-3.4779569558,-0.124422295,0.0780773083,0.0161732519,GGA,Amm2,A3BC2_oC24_38_abcd_e_2c:Cu-Ge-Mg,12.0,"Invalid WP multiplicities - A3BC2_oC24_38_abcd_e_3c:Cu-Ge-Mg, expected Mg3Cu3Ge to be Mg2Cu3Ge" +mp-1222187,Mg2Cu3Ge,-3.5560342642,-0.2024996033,0.0,-0.0619040565,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cu-Ge-Mg,12.0,A3BC2_hP12_194_h_a_f:Cu-Ge-Mg +mp-1018798,MgCuGe,-3.3623478417,0.07849035,0.2583085547,0.2583085547,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cu-Ge-Mg,6.0,ABC_tP6_129_c_c_a:Cu-Ge-Mg +mp-1043608,MgTaBiO5,-8.0037486234,-2.7497498277,0.0594887603,0.0594887603,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-Ta,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-Ta, expected MgTaBiO15 to be MgTaBiO5" +mp-1042359,MgTaBiO5,-7.9968585708,-2.742859775,0.066378813,0.066378813,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-Ta,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-Ta, expected MgTaBiO31 to be MgTaBiO5" +mp-1367618,Mg2TaBiO6,-7.5438116585,-2.6859157458,0.1722831845,0.1722831845,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Bi-Mg-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Bi-Mg-O-Ta, expected Mg3TaBiO18 to be Mg2TaBiO6" +mp-17719,La3SiAgS7,-6.2342119212,-1.8991248865,0.0,-0.0347992993,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b3c_b:Ag-La-S-Si, expected La3SiAgS10 to be La3SiAgS7" +mp-37478,La5AgS8,-6.5579735507,-2.2291028033,0.0239435766,0.0239435766,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-La-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_cg_5g:Ag-La-S, expected La5AgS20 to be La5AgS8" +mp-558724,La2SiS5,-6.46959218,-1.9721444832,0.0,-0.0339268731,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:La-S-Si,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_7e_18e_e:La-S-Si, expected La7SiS18 to be La2SiS5" +mp-1203679,La2SiS5,-6.2791065313,-1.7816588345,0.1904856488,0.1565587756,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:La-S-Si,32.0,A2B5C_mP32_14_2e_5e_e:La-S-Si +mp-1228229,Ba4SiGeS8,-5.4373869675,-1.8076837832,0.0008733563,0.0008733563,GGA,Pmc2_1,A4BC8D_oP28_26_2a2b_a_2a2b2c_b:Ba-Ge-S-Si,28.0,"Invalid WP multiplicities - A4BC8D_oP28_26_2a2b_a_2a2b3c_b:Ba-Ge-S-Si, expected Ba4SiGeS10 to be Ba4SiGeS8" +mp-27805,Ba3SiS5,-5.5452952761,-2.0047961445,0.0,-0.0110200497,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Ba-S-Si,36.0,A3B5C_oP36_62_cd_3cd_c:Ba-S-Si +mp-5838,Ba2SiS4,-5.5847105625,-1.8977009371,0.0,-0.0348320327,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ba-S-Si,28.0,A2B4C_oP28_62_2c_2cd_c:Ba-S-Si +mp-1225409,Dy6Mn(SiS7)2,-6.4812138983,-1.8914890927,0.0,-0.0121722593,GGA,P3,A6BC14D2_hP23_143_2d_c_ab4d_ab:Dy-Mn-S-Si,23.0,A6BC14D2_hP23_143_2d_c_ab4d_ab:Dy-Mn-S-Si +mp-1217183,Ti3CuSn,-6.171734462,0.187316453,0.4519044978,0.4519044978,GGA,P-6m2,ABC3_hP5_187_b_c_ai:Cu-Sn-Ti,5.0,ABC3_hP5_187_b_c_ai:Cu-Sn-Ti +mp-1216899,TiCuSnS4,-5.6773534236,-1.0273434223,0.0171668679,0.0171668679,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cu-S-Sn-Ti,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cu-S-Sn-Ti, expected TiCuSnS8 to be TiCuSnS4" +mp-1217381,Ti10CuSn6,-6.6310943112,-0.3304144308,0.0175757871,0.0175757871,GGA,P-31m,AB6C10_hP17_162_a_k_cdk:Cu-Sn-Ti,17.0,AB6C10_hP17_162_a_k_cdk:Cu-Sn-Ti +mp-19983,TiCuSn,-5.5566169267,-0.2218600794,0.0129911606,0.0129911606,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Sn-Ti,6.0,ABC_hP6_186_b_b_a:Cu-Sn-Ti +mp-1217186,Ti3Sn5S12,-5.7605702085,-1.0919835221,0.013867728,0.013867728,GGA,Pm,A12B5C3_mP20_6_6a6b_2a3b_2ab:S-Sn-Ti,20.0,A12B5C3_mP20_6_6a6b_2a3b_2ab:S-Sn-Ti +mp-1216855,TiCu2Sn,-5.0305426175,-0.0046733146,0.1714651155,0.1714651155,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Cu-Sn-Ti,4.0,A2BC_tP4_123_h_a_b:Cu-Sn-Ti +mp-1206917,TiCu2Sn,-5.08715741,-0.0612881071,0.114850323,0.114850323,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Cu-Sn-Ti +mp-1208239,Ti5CuSn3,-6.5262726594,-0.3478968463,0.0,-0.0331621316,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Cu-Sn-Ti +mp-1180150,Nb2FeO6,-9.1839876908,-2.7003472956,0.0413479853,0.000341459,GGA+U,P2/c,AB2C6_mP36_13_ef_2g_6g:Fe-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_13_2e2f_4g_23g:Fe-Nb-O, expected Nb4Fe2O23 to be Nb2FeO6" +mp-22366,Nb2FeO6,-9.2253356761,-2.7416952808,0.0,-0.0410065263,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Fe-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_4d:Fe-Nb-O, expected Nb2FeO8 to be Nb2FeO6" +mp-645545,Nb2FeO6,-9.1258304336,-2.6421900383,0.0995052425,0.0584987162,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Fe-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_16d:Fe-Nb-O, expected Nb2FeO32 to be Nb2FeO6" +mp-1180571,Nb2FeO6,-9.1836495633,-2.7000091681,0.0416861128,0.0006795865,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Fe-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_13_2e2f_4g_23g:Fe-Nb-O, expected Nb4Fe2O23 to be Nb2FeO6" +mp-1022213,Mg6NbFe,-3.2450707844,0.2765550344,0.3158841679,0.3158841679,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Nb, expected Mg12NbFe to be Mg6NbFe" +mp-1022217,Mg6NbFe,-3.3077954781,0.2138303406,0.2531594741,0.2531594741,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Nb, expected Mg12NbFe to be Mg6NbFe" +mp-2219822,MgNb2(FeO4)2,-8.5392611977,-2.5149194869,0.0889184727,0.0889184727,GGA+U,Cm,A2BC2D8_mC26_8_2a_a_2a_8a:Fe-Mg-Nb-O,13.0,A2BC2D8_mC26_8_2a_a_2a_8a:Fe-Mg-Nb-O +mp-2219331,MgNb2(FeO4)2,-8.4525556854,-2.4282139746,0.175623985,0.175623985,GGA+U,C2/m,A2BC2D8_mC26_12_i_a_i_4i:Fe-Mg-Nb-O,13.0,A2BC2D8_mC26_12_i_a_i_4i:Fe-Mg-Nb-O +mp-1186220,NbFeO3,-8.593945928,-1.9116674512,0.5558583015,0.5558583015,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Fe-Nb-O,5.0,ABC3_cP5_221_a_b_c:Fe-Nb-O +mp-1210013,Nb2Fe4O9,-8.806019554,-2.2324933326,0.0053860497,0.0053860497,GGA+U,P-3c1,A4B2C9_hP30_165_2d_c_fg:Fe-Nb-O,30.0,A4B2C9_hP30_165_2d_c_fg:Fe-Nb-O +mp-1035626,Mg14NbFeO16,-6.5517973419,-2.7979765191,0.1540556187,0.1540556187,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Fe-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Fe-Mg-Nb-O, expected Mg18NbFeO20 to be Mg14NbFeO16" +mp-1035627,Mg14NbFeO16,-6.4976935437,-2.7438727209,0.2081594168,0.2081594168,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Fe-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Fe-Mg-Nb-O, expected Mg30NbFeO32 to be Mg14NbFeO16" +mp-675305,NbFeO4,-8.8222425962,-2.4292290804,0.0655145938,0.0528602561,GGA+U,P1,ABC4_aP24_1_4a_4a_16a:Fe-Nb-O,24.0,ABC4_aP24_1_4a_4a_16a:Fe-Nb-O +mp-37509,NbFeO4,-8.8400790983,-2.4470655825,0.0476780917,0.035023754,GGA+U,P2,ABC4_mP24_3_ade_bce_8e:Fe-Nb-O,24.0,"Invalid WP multiplicities - ABC4_mP24_3_ace_bd2e_16e:Fe-Nb-O, expected Nb3(FeO8)2 to be NbFeO4" +mp-31761,NbFeO4,-8.88775719,-2.4947436742,0.0,-0.0126543377,GGA+U,C2/m,ABC4_mC24_12_i_i_4i:Fe-Nb-O,12.0,ABC4_mC24_12_i_i_4i:Fe-Nb-O +mp-22194,NbFeO4,-8.8249006283,-2.4318871125,0.0628565617,0.050202224,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Fe-Nb-O,12.0,ABC4_mP12_13_e_f_2g:Fe-Nb-O +mp-1220416,NbFeO4,-8.8643310042,-2.4713174883,0.0234261858,0.0107718482,GGA+U,Pnc2,ABC4_oP12_30_a_b_2c:Fe-Nb-O,12.0,ABC4_oP12_30_a_b_2c:Fe-Nb-O +mp-34591,NbFeO4,-8.8409086129,-2.4478950971,0.0468485771,0.0341942394,GGA+U,Pna2_1,ABC4_oP24_33_a_a_4a:Fe-Nb-O,24.0,"Invalid WP multiplicities - ABC4_oP24_33_a_a_15a:Fe-Nb-O, expected NbFeO15 to be NbFeO4" +mp-754222,NbFeO4,-8.7761834429,-2.3831699271,0.1115737471,0.0989194094,GGA+U,P4_322,ABC4_tP24_95_c_a_2d:Fe-Nb-O,24.0,"Invalid WP multiplicities - ABC4_tP24_95_c_a_3d:Fe-Nb-O, expected NbFeO6 to be NbFeO4" +mp-755390,NbFeO4,-8.8518793517,-2.4588658358,0.0358778383,0.0232235007,GGA+U,I-4m2,ABC4_tI12_119_a_c_ef:Fe-Nb-O,12.0,ABC4_tI12_119_a_c_ef:Fe-Nb-O +mp-1037501,Mg30NbFeO32,-6.4444923684,-2.9308397667,0.0721964519,0.0721964519,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Fe-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Fe-Mg-Nb-O, expected Mg110NbFeO72 to be Mg30NbFeO32" +mp-1037532,Mg30NbFeO32,-6.4296478394,-2.9159952377,0.0870409809,0.0870409809,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Fe-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Fe-Mg-Nb-O, expected Mg90NbFeO80 to be Mg30NbFeO32" +mp-1027814,Mg14NbFe,-2.4033297381,0.1576231962,0.185473399,0.185473399,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Nb, expected Mg18NbFe to be Mg14NbFe" +mp-1027791,Mg14NbFe,-2.3694752606,0.1914776738,0.2193278765,0.2193278765,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Nb, expected Mg26NbFe to be Mg14NbFe" +mp-631386,Mg2NbFe,-4.881675225,0.5612963625,0.6235833575,0.6235833575,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Mg-Nb,4.0,AB2C_cF16_225_a_c_b:Fe-Mg-Nb +mp-1032174,Mg6NbFeO8,-6.7863190238,-2.5521617587,0.2978622174,0.2978622174,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Fe-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Fe-Mg-Nb-O, expected Mg6NbFeO12 to be Mg6NbFeO8" +mp-1032213,Mg6NbFeO8,-6.7537584825,-2.5196012175,0.3304227587,0.3304227587,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Fe-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Fe-Mg-Nb-O, expected Mg6NbFeO12 to be Mg6NbFeO8" +mp-1048464,Mg2Nb2FeO8,-8.3469085135,-2.8510084304000003,0.0014459808,0.0014459808,GGA+U,C2/c,AB2C2D8_mC52_15_e_f_f_4f:Fe-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_15_e_f_f_5f:Fe-Mg-Nb-O, expected Mg2Nb2FeO10 to be Mg2Nb2FeO8" +mp-1111257,K2LiLaCl6,-4.451678108,-2.4359833254,0.0718858488,0.0718858488,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-La-Li,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-La-Li +mp-1201545,K2LaCl5,-4.6505414341,-2.6006053967,0.0,-0.0378718334,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-La,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-La +mp-1111424,K3LaCl6,-4.36310906,-2.4272666694,0.1048644963,0.1048644963,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-La,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-La +mp-1213969,CaHfTlF7,-6.583154084,-3.8125756011,0.0,-0.0354724285,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_c_a:Ca-F-Hf-Tl,20.0,AB7CD_oC40_63_c_cf2g_c_a:Ca-F-Hf-Tl +mp-989610,Cs2NaInH6,-2.817228803,-0.1950917992,0.0,-0.0489052691,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-H-In-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-H-In-Na +mp-1112883,Cs2PrCuI6,-3.384784072,-1.4336725451,0.0493427597,0.0493427597,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Pr +mp-1214778,Ba2CuTe2F,-3.579539655,-0.890331771,1.1986147604,1.1986147604,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ba-Cu-F-Te,6.0,A2BCD2_tP6_123_g_a_b_g:Ba-Cu-F-Te +mp-556778,BaTeF6,-5.2101689025,-3.1437745727,0.0007444387,0.0007444387,GGA,Fdd2,AB6C_oF128_43_b_6b_b:Ba-F-Te,32.0,"Invalid WP multiplicities - AB6C_oF128_43_b_18b_b:Ba-F-Te, expected BaTeF18 to be BaTeF6" +mp-29177,BaTe2F10,-5.0108252492,-2.9092578337,0.0,-0.0249303467,GGA,C2/c,AB10C2_mC52_15_e_5f_f:Ba-F-Te,26.0,"Invalid WP multiplicities - AB10C2_mC52_15_e_6f_f:Ba-F-Te, expected BaTe2F12 to be BaTe2F10" +mp-13287,BaCuTeF,-4.8998335425,-2.1315919248,4.05431e-05,4.05431e-05,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-Te,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-Te +mp-1112899,Cs2ScHgI6,-3.099517116,-1.3728018846,0.0369753805,0.0369753805,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Sc,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Sc +mp-1112654,Cs3AlI6,-2.9175296580000003,-1.3903315534,0.0634020758,0.0634020758,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Al-Cs-I,10.0,AB3C6_cF40_225_a_bc_e:Al-Cs-I +mp-1112111,Cs2AlTlI6,-2.922601984,-1.2486798019,0.0594832065,0.0594832065,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-Tl +mp-1209940,NaSmCu2F8,-5.37184605,-2.9108996743,0.0,-0.0089399561,GGA,I422,A2B8CD_tI24_97_d_k_a_b:Cu-F-Na-Sm,12.0,A2B8CD_tI24_97_d_k_a_b:Cu-F-Na-Sm +mp-1097361,NaHg2Au,-0.9903305825,0.3106114234,0.5511354613,0.5511354613,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Hg-Na,4.0,AB2C_oI8_71_a_e_b:Au-Hg-Na +mp-1095817,Na2HgAu,-1.1714344075,0.3842188305,0.6742875148,0.6742875148,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Hg-Na,4.0,ABC2_oI8_71_a_b_e:Au-Hg-Na +mp-1186021,Na2HgAu,-1.8320739025,-0.2764206645,0.0136480198,0.0136480198,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Hg-Na,4.0,ABC2_cF16_225_a_b_c:Au-Hg-Na +mp-1111190,Na2HgAuF6,-3.5994677580000003,-1.8303190823,0.268410094,0.268410094,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-Na +mp-773910,Er2GeO5,-8.1807115209,-3.369222892,0.0240346943,0.0135256339,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Er-Ge-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_3e_e_19e:Er-Ge-O, expected Er3GeO19 to be Er2GeO5" +mp-774547,Er2GeO5,-8.2047462152,-3.3932575863,0.0,-0.0105090604,GGA,C2/c,A2BC5_mC96_15_3f_ef_e7f:Er-Ge-O,48.0,"Invalid WP multiplicities - A2BC5_mC96_15_9f_e2f_2e27f:Er-Ge-O, expected Er18Ge5O56 to be Er2GeO5" +mp-1204871,Er4(GeO5)3,-7.3898657059,-2.5562161844,0.2156360765,0.2156360765,GGA,Cmcm,A4B3C15_oC88_63_2g_ag_3c2g2h:Er-Ge-O,44.0,A4B3C15_oC88_63_2g_ag_3c2g2h:Er-Ge-O +mp-13643,Er2Ge2O7,-7.894818487,-3.0758808226,0.0,-0.041351379,GGA,P4_12_12,A2B2C7_tP44_92_b_b_a3b:Er-Ge-O,44.0,A2B2C7_tP44_92_b_b_a3b:Er-Ge-O +mp-1209197,Sr3Er2(GeO4)3,-7.4754782726,-3.1038149686,0.0,-0.0310013711,GGA,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Er-Ge-O-Sr,80.0,A2B3C12D3_cI160_230_a_d_h_c:Er-Ge-O-Sr +mp-1209021,Sr3Tm2(GeO4)3,-7.4755776752,-3.1131027099,0.0,-0.0313778051,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Tm,80.0,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Tm +mp-1215424,ZnGeP2,-4.359062455,-0.1817183354,0.0282541138,0.0046433403,GGA,P-4m2,AB2C_tP4_115_a_g_c:Ge-P-Zn,4.0,AB2C_tP4_115_a_g_c:Ge-P-Zn +mp-4524,ZnGeP2,-4.3873165688,-0.2099724492,0.0,-0.0236107734,GGA,I-42d,AB2C_tI16_122_a_d_b:Ge-P-Zn,8.0,AB2C_tI16_122_a_d_b:Ge-P-Zn +mp-1215593,ZnGeAsP,-4.1675655575,-0.1787674633,0.00877656,0.00877656,GGA,I2_12_12_1,ABCD_oI16_24_b_a_c_a:As-Ge-P-Zn,8.0,ABCD_oI16_24_b_a_c_a:As-Ge-P-Zn +mp-21097,KLaGeSe4,-4.9866520214,-1.4647834761,0.0,-0.0230139472,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Ge-K-La-Se,14.0,ABCD4_mP14_4_a_a_a_4a:Ge-K-La-Se +mp-17033,CsAlPdF6,-5.2751388044,-2.9096128248,0.0193079172,0.0193079172,GGA,Pnma,ABC6D_oP36_62_a_c_2c2d_c:Al-Cs-F-Pd,36.0,"Invalid WP multiplicities - ABC6D_oP36_62_a_c_2c3d_c:Al-Cs-F-Pd, expected CsAlPdF8 to be CsAlPdF6" +mp-1204639,Sm3Al2(Ni2H3)3,-4.7764457115,-0.433332484,0.4681511735,0.4681511735,GGA,Im-3m,A2B9C6D3_cI80_229_c_abdf_h_e:Al-H-Ni-Sm,40.0,A2B9C6D3_cI80_229_c_abdf_h_e:Al-H-Ni-Sm +mp-1226462,CeYPd6,-6.3033306775,-0.8684742865,0.0,-0.02144721,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ce-Pd-Y,8.0,AB6C_tP8_123_a_cdi_b:Ce-Pd-Y +mp-1207714,Y2(Al3Pd)3,-5.1365777225,-0.6949512849,0.0,-0.0474111202,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Pd-Y +mp-1226822,Ce2Y(AlPd)3,-5.82436652,-0.8122529263,0.0039998498,0.0039998498,GGA,Amm2,A3B2C3D_oC18_38_ad_e_bd_b:Al-Ce-Pd-Y,9.0,A3B2C3D_oC18_38_ad_e_bd_b:Al-Ce-Pd-Y +mp-1078938,YAl2Pd5,-5.9267427238,-0.9446137458,0.0,-0.056677745,GGA,I4/mmm,A2B5C_tI16_139_e_ag_b:Al-Pd-Y,8.0,A2B5C_tI16_139_e_ag_b:Al-Pd-Y +mp-1226694,CeY(AlPd)2,-5.8683404111,-0.8265944864,0.0064999142,0.0064999142,GGA,Pm,A2BC2D_mP18_6_6b_3a_2a4b_3a:Al-Ce-Pd-Y,18.0,A2BC2D_mP18_6_6b_3a_2a4b_3a:Al-Ce-Pd-Y +mp-1093778,YAlPd2,-3.788266795,1.3546858458,2.2978838462,2.2721507041,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Al-Pd-Y +mp-1078242,YAlPd2,-6.0861506412,-0.9431980004,0.0,-0.0257331422,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Al-Pd-Y,8.0,AB2C_hP8_194_a_f_c:Al-Pd-Y +mp-1226528,CeYAl4,-5.0312415733,-0.4675976419,0.0301609967,0.0301609967,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-Y,6.0,A4BC_cF24_216_e_a_c:Al-Ce-Y +mp-1095464,YAlPd,-6.0142621917,-0.8836192739000001,0.0,-0.0849954644,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Pd-Y,12.0,ABC_oP12_62_c_c_c:Al-Pd-Y +mp-12961,YAlPd,-6.0108766278,-0.8802337100000001,0.0033855639,-0.0816099006,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Pd-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Al-Pd-Y, expected Y3Al3Pd5 to be YAlPd" +mp-1226510,CeY2(AlPd)3,-5.9125614011,-0.8411831454,0.0087528796,0.0087528796,GGA,Amm2,A3BC3D2_oC18_38_ad_b_bd_e:Al-Ce-Pd-Y,9.0,A3BC3D2_oC18_38_ad_b_bd_e:Al-Ce-Pd-Y +mp-752637,HoBrO,-7.04735601,-3.3533140396,0.0317368283,-0.0881886351,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Ho-O,6.0,ABC_oP6_59_a_b_a:Br-Ho-O +mp-1178160,HoBrO,-7.0790928383,-3.3850508679,0.0,-0.1199254635,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Ho-O,6.0,ABC_tP6_129_c_c_a:Br-Ho-O +mp-755565,HoBrO,-7.0765230783,-3.3824811079,0.00256976,-0.1173557035,GGA,R-3m,ABC_hR18_166_c_c_c:Br-Ho-O,6.0,ABC_hR18_166_c_c_c:Br-Ho-O +mp-1206616,Ho2Br2O,-5.023094878,-1.5795822557,1.0657131547,1.0657131547,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Ho-O,5.0,A2B2C_tP5_123_g_g_a:Br-Ho-O +mp-1193901,HoMoBrO4,-7.8587128986,-2.6061640193,0.0,-0.0114403839,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Ho-Mo-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Ho-Mo-O +mp-1225958,Ho(BrO6)3,-4.5178321148,-0.0504734483,0.4874252384,0.4874252384,GGA,Cmc2_1,A3BC18_oC88_36_ab_a_4a7b:Br-Ho-O,44.0,"Invalid WP multiplicities - A3BC18_oC88_36_ab_a_5a11b:Br-Ho-O, expected Ho(BrO9)3 to be Ho(BrO6)3" +mp-1211026,Sc6TeO12,-8.2393205353,-2.9499318480000003,0.5255558323,0.5255558323,GGA,P-1,A12B6C_aP19_2_6i_3i_a:O-Sc-Te,19.0,A12B6C_aP19_2_6i_3i_a:O-Sc-Te +mp-558571,Sc2Te5O13,-6.7633393465000005,-2.1289183004,0.0,-0.0067578113,GGA,P-1,A13B2C5_aP40_2_13i_2i_5i:O-Sc-Te,40.0,"Invalid WP multiplicities - A13B2C5_aP40_2_23i_2i_10i:O-Sc-Te, expected Sc2Te10O23 to be Sc2Te5O13" +mp-1195246,Sc2Te(SeO5)2,-7.0290616595,-2.2112647148,0.0198356374,0.0198356374,GGA,P2_1/c,A10B2C2D_mP60_14_10e_2e_2e_e:O-Sc-Se-Te,60.0,A10B2C2D_mP60_14_10e_2e_2e_e:O-Sc-Se-Te +mp-1195567,Sc2(TeO3)3,-7.148925643,-2.3907074794,0.0011504948,0.0011504948,GGA,P2_1/c,A9B2C3_mP56_14_9e_2e_3e:O-Sc-Te,56.0,A9B2C3_mP56_14_9e_2e_3e:O-Sc-Te +mp-557773,Sc2TeO6,-7.9808535696,-2.9265895284,0.0,-0.1245871348,GGA,P321,A6B2C_hP27_150_3g_ef_ad:O-Sc-Te,27.0,"Invalid WP multiplicities - A6B2C_hP27_150_8g_2e3f_ad:O-Sc-Te, expected Sc5TeO16 to be Sc2TeO6" +mp-1043010,ZnCu(GeO3)2,-6.1760955905,-1.7475817648,0.0656755417,0.0656755417,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Cu-Ge-O-Zn,40.0,AB2C6D_mP40_14_e_2e_6e_e:Cu-Ge-O-Zn +mp-1042892,ZnCu(GeO3)2,-6.180141856,-1.7516280302,0.0616292762,0.0616292762,GGA,C2/c,AB2C6D_mC40_15_e_f_3f_e:Cu-Ge-O-Zn,20.0,AB2C6D_mC40_15_e_f_3f_e:Cu-Ge-O-Zn +mp-1325923,Zn3Cu2(GeO4)3,-5.830176943,-1.5698273295,0.1404379212,0.1404379212,GGA,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Cu-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Cu-Ge-O-Zn +mp-1209320,RbAgTeS3,-3.8806643742,-0.6530401125,0.0214287462,0.0214287462,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Ag-Rb-S-Te,24.0,ABC3D_mP24_14_e_e_3e_e:Ag-Rb-S-Te +mp-1046817,Ca4Ni5(TeO6)3,-6.4576386637,-1.9445254169,0.0742072408,0.0742072408,GGA+U,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Ca-Ni-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Ca-Ni-O-Te, expected Ca12Ni9(TeO14)5 to be Ca4Ni5(TeO6)3" +mp-961667,CaNiTe,-4.1492347800000005,-0.5062206289,0.7333377600000001,0.7333377600000001,GGA,F-43m,ABC_cF12_216_a_b_c:Ca-Ni-Te,3.0,ABC_cF12_216_a_b_c:Ca-Ni-Te +mp-1192025,La3BeAlS7,-6.2962755079,-2.0255955847,0.0592839763,0.0592839763,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Al-Be-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Al-Be-La-S +mp-1211351,La3BeAlS7,-6.2683967592,-1.997716836,0.0871627251,0.0871627251,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Be-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Be-La-S +mp-1222880,LaBeAl3,-4.23447389,-0.252044398,0.110200626,0.110200626,GGA,I-4m2,A3BC_tI10_119_af_b_c:Al-Be-La,5.0,A3BC_tI10_119_af_b_c:Al-Be-La +mp-1226030,CoSeS,-5.5405040783,-0.6269443652000001,0.0254639325,0.0254639325,GGA,P2_13,ABC_cP12_198_a_a_a:Co-S-Se,12.0,ABC_cP12_198_a_a_a:Co-S-Se +mp-1226370,Cr2CoSe3S,-6.5935495571,-0.7308928379,0.0597663133,0.0597663133,GGA,Cm,AB2CD3_mC14_8_a_2a_a_3a:Co-Cr-S-Se,7.0,AB2CD3_mC14_8_a_2a_a_3a:Co-Cr-S-Se +mp-1226381,Cr2CoSeS3,-6.85883932,-0.8131716324,0.0634765134,0.0634765134,GGA,Imm2,AB2C3D_oI28_44_ab_cd_c2d_c:Co-Cr-S-Se,14.0,AB2C3D_oI28_44_ab_cd_c2d_c:Co-Cr-S-Se +mp-542028,Ti3Al2NiN,-7.4761675671,-1.0055590936,0.0,-0.0491461229,GGA,Fd-3m,A2BCD3_cF112_227_e_c_d_f:Al-N-Ni-Ti,28.0,A2BCD3_cF112_227_e_c_d_f:Al-N-Ni-Ti +mp-1245900,Ti(NiN)4,-7.3446678172,-0.1933324354,0.2635384159,0.2635384159,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Ni-Ti,18.0,A4B4C_aP18_2_4i_4i_i:N-Ni-Ti +mp-4978,Ti2AlN,-8.2287156712,-1.2604519742,0.0,-0.0568760129,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-N-Ti,8.0,ABC2_hP8_194_c_a_f:Al-N-Ti +mp-1217025,TiAlN2,-8.612274055,-1.5337596308,0.2069409288,0.2069409288,GGA,R-3m,AB2C_hR12_166_a_c_b:Al-N-Ti,4.0,AB2C_hR12_166_a_c_b:Al-N-Ti +mp-1246782,Al2NiN3,-7.12658103,-0.7464521775,0.3230553856,0.3230553856,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Al-N-Ni,12.0,A2B3C_oC24_36_b_ab_a:Al-N-Ni +mp-10675,Ti3AlN,-8.171581216,-1.017871855,0.0163649573,0.0163649573,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-N-Ti,5.0,ABC3_cP5_221_a_b_c:Al-N-Ti +mp-568934,Ti4AlN3,-9.14402026,-1.6018916760000002,0.0,-0.0231636319,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-N-Ti,16.0,"Invalid WP multiplicities - AB3C4_hP16_194_c_2a2f_2e3f:Al-N-Ti, expected Ti10AlN6 to be Ti4AlN3" +mp-676800,Ti7Ni3N10,-8.8814279475,-1.0827377772,0.2570837065,0.2570837065,GGA,Imm2,A10B3C7_oI40_44_d2e_ac_b3c:N-Ni-Ti,20.0,"Invalid WP multiplicities - A10B3C7_oI40_44_2d7e_ac_b6c:N-Ni-Ti, expected Ti13Ni3N32 to be Ti7Ni3N10" +mp-1228605,Al3(MoS2)8,-7.1374741644,-1.056543563,0.0947466206,0.0947466206,GGA,P-4m2,A3B8C16_tP27_115_ag_jk_2j2k:Al-Mo-S,27.0,"Invalid WP multiplicities - A3B8C16_tP27_115_ag_3j3k_7j7k:Al-Mo-S, expected Al3(Mo3S7)8 to be Al3(MoS2)8" +mp-1246455,Mg2AlMo3S8,-6.2041171186,-1.0202110332,0.2907383629,0.2907383629,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Al-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Al-Mg-Mo-S, expected Mg2AlMo3S16 to be Mg2AlMo3S8" +mp-1201475,Mg3(Al9Mo)2,-4.2322354493,-0.1490830446,0.0074350017,0.0074350017,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Mo,46.0,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Mo +mp-1028238,Mg14AlMo,-2.21895758,0.093239085,0.1514631454,0.1514631454,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Mo, expected Mg18AlMo to be Mg14AlMo" +mp-1028241,Mg14AlMo,-2.2195462619,0.0926504031,0.1508744635,0.1508744635,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Mo, expected Mg26AlMo to be Mg14AlMo" +mp-1246682,Mg2Al3MoS8,-5.4961318907,-1.3265221311,0.095852026,0.095852026,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Al-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Al-Mg-Mo-S, expected Mg2Al3MoS22 to be Mg2Al3MoS8" +mp-1183035,Al(MoS2)4,-6.7077071992,-0.5369552604,0.629801174,0.629801174,GGA,Cm,AB4C8_mC26_8_a_2ab_4a2b:Al-Mo-S,13.0,AB4C8_mC26_8_a_2ab_4a2b:Al-Mo-S +mp-554868,Al(MoS2)4,-7.3122304069,-1.1414784681,0.0252779663,0.0252779663,GGA,R3m,AB4C8_hR39_160_a_ab_2a2b:Al-Mo-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_160_a_a2b_2a4b:Al-Mo-S, expected Al(MoS2)7 to be Al(MoS2)4" +mp-3861,Al(MoS2)4,-7.309879375399999,-1.1391274365,0.0276289978,0.0276289978,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Al-Mo-S,13.0,"Invalid WP multiplicities - AB4C8_cF52_216_a_e_3e:Al-Mo-S, expected Al(MoS3)4 to be Al(MoS2)4" +mp-1264535,Al(MoS2)12,-7.3085486822,-1.0067061428,0.1826226576,0.1826226576,GGA,Cm,AB12C24_mC74_8_a_6a3b_12a6b:Al-Mo-S,37.0,"Invalid WP multiplicities - AB12C24_mC74_8_a_6a6b_12a12b:Al-Mo-S, expected Al(MoS2)18 to be Al(MoS2)12" +mp-1360099,Al(MoS2)12,-7.3060721127,-1.0042295734,0.1850992271,0.1850992271,GGA,P3m1,AB12C24_hP37_156_a_abc3d_2a2b2c6d:Al-Mo-S,37.0,"Invalid WP multiplicities - AB12C24_hP37_156_a_abc9d_2a2b2c18d:Al-Mo-S, expected Al(MoS2)30 to be Al(MoS2)12" +mp-1185673,Mg16Al12Mo,-2.7959149548,0.0108795579,0.0915740395,0.0915740395,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Mo,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-Mo, expected Mg58Al39Mo to be Mg16Al12Mo" +mp-1023294,Mg6AlMo,-2.8710111231,0.1531021569,0.2447378001,0.2447378001,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Mo, expected Mg12AlMo to be Mg6AlMo" +mp-1023298,Mg6AlMo,-2.8539996363,0.1701136437,0.2617492869,0.2617492869,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Mo, expected Mg12AlMo to be Mg6AlMo" +mp-1247044,MgAlMoS4,-5.8549682221,-1.1782102996,0.188451477,0.188451477,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Al-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Al-Mg-Mo-S, expected MgAlMoS12 to be MgAlMoS4" +mp-1211859,Na3Mn5(Ge3O10)2,-7.3202017674,-2.1305078351,0.0,-0.0101877099,GGA+U,P-1,A6B5C3D20_aP68_2_6i_be4i_3i_20i:Ge-Mn-Na-O,68.0,A6B5C3D20_aP68_2_6i_be4i_3i_20i:Ge-Mn-Na-O +mp-1013842,Na3Mn2(GeO4)3,-6.7261257431,-1.9500780149,0.0646830492,0.0646830492,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Ge-Mn-Na-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Ge-Mn-Na-O +mp-1105628,NaMn(GeO3)2,-7.0501157225,-2.1090428662,0.0105864011,0.0105864011,GGA+U,C2/c,A2BCD6_mC40_15_f_e_e_3f:Ge-Mn-Na-O,20.0,A2BCD6_mC40_15_f_e_e_3f:Ge-Mn-Na-O +mp-1228942,CsCuRhF6,-4.8082603728,-2.1607280709,0.0,-0.0251755646,GGA,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Rh,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Rh, expected CsCuRhF12 to be CsCuRhF6" +mp-1206623,Cs2RhF6,-4.7918598567,-2.5003058101,0.0,-0.268300036,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Rh,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Rh +mp-579605,Cs2KEuCl6,-4.750826788,-2.3258842429,0.4352596538,0.4352596538,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Eu-K +mp-1113099,Cs2InGaF6,-4.649717623,-2.7457717928000003,0.0846655363,0.0846655363,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-In,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-In +mp-686077,Er18Ti14O55,-9.107105197,-3.7643039794,0.0682939818,0.0682939818,GGA,Cm,A18B55C14_mC174_8_10a4b_23a16b_6a4b:Er-O-Ti,87.0,"Invalid WP multiplicities - A18B55C14_mC174_8_10a8b_23a32b_6a8b:Er-O-Ti, expected Er26Ti22O87 to be Er18Ti14O55" +mp-530800,Er2TiO5,-9.0049252747,-3.7843786256,0.1169926088,0.0827322144,GGA,Cm,A2B5C_mC128_8_10a3b_16a12b_2a3b:Er-O-Ti,64.0,"Invalid WP multiplicities - A2B5C_mC128_8_10a6b_16a23b_2a5b:Er-O-Ti, expected Er11Ti6O31 to be Er2TiO5" +mp-756443,Er2TiO5,-9.0361458463,-3.8155991971,0.0857720372,0.0515116428,GGA,Cc,A2B5C_mC32_9_2a_5a_a:Er-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_9_4a_8a_a:Er-O-Ti, expected Er4TiO8 to be Er2TiO5" +mp-1178356,Er2TiO5,-9.0343553825,-3.8138087334,0.0875625009,0.0533021066,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Er-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e5f_c:Er-O-Ti, expected Er2TiO12 to be Er2TiO5" +mp-771825,Er2TiO5,-9.0840623406,-3.8635156915,0.0378555428,0.0035951484,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Er-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Er-O-Ti, expected Er5TiO17 to be Er2TiO5" +mp-774567,Er2TiO5,-9.1219178834,-3.9013712343,0.0,-0.0342603944,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Er-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Er-O-Ti, expected Er5TiO17 to be Er2TiO5" +mp-755595,Er2TiO5,-9.0507890844,-3.8302424353,0.0711287991,0.0368684047,GGA,Cmcm,A2B5C_oC32_63_f_c2f_c:Er-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c4f_c:Er-O-Ti, expected Er2TiO9 to be Er2TiO5" +mp-5889,Er2Ti2O7,-9.1943389732,-3.7804078248,0.0121765957,0.0121765957,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:Er-O-Ti +mp-37727,Er10Ti6O27,-8.9312706035,-3.6612535011,0.2122885483,0.2122885483,GGA,Cm,A10B27C6_mC86_8_4a3b_11a8b_4ab:Er-O-Ti,43.0,"Invalid WP multiplicities - A10B27C6_mC86_8_4a5b_11a16b_4a2b:Er-O-Ti, expected Er14Ti8O43 to be Er10Ti6O27" +mp-685945,Er14Ti10O41,-8.9921767474,-3.6734502756,0.1726907302,0.1726907302,GGA,Cm,A14B41C10_mC130_8_8a3b_17a12b_4a3b:Er-O-Ti,65.0,"Invalid WP multiplicities - A14B41C10_mC130_8_8a6b_17a24b_4a4b:Er-O-Ti, expected Er20Ti12O65 to be Er14Ti10O41" +mp-756296,ErTiO3,-9.1054427035,-3.6447873114,0.0580281612,0.0580281612,GGA,Pnma,AB3C_oP20_62_c_cd_a:Er-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Er-O-Ti, expected ErTiO7 to be ErTiO3" +mp-1212930,ErTiClO3,-8.4022118133,-3.5435762099,0.0,-0.0271188192,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Er-O-Ti,12.0,ABC3D_mC24_12_i_i_3i_i:Cl-Er-O-Ti +mp-12023,MnCu2SiS4,-5.6729912575,-0.7565479913000001,0.0,-0.0306670131,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Mn-S-Si,16.0,"Invalid WP multiplicities - A2BC4D_oP16_31_b_a_2a2b_a:Cu-Mn-S-Si, expected MnCu2SiS6 to be MnCu2SiS4" +mp-989605,Cs2RbInF6,-4.691454966,-2.9922653308,0.0,-0.0306598743,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Rb +mp-989595,CsRb2InF6,-4.627417139,-2.9197143338,0.0548409095,0.0548409095,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-In-Rb +mp-7137,LiTbO2,-7.3814991237,-3.2723325265,0.0,-0.0088596102,GGA,Pnma,AB2C_oP16_62_c_2c_c:Li-O-Tb,16.0,AB2C_oP16_62_c_2c_c:Li-O-Tb +mp-8711,Cs2Li14Tb3O14,-5.7167160042,-2.3327019092,0.0447477344,0.0447477344,GGA,Immm,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:Cs-Li-O-Tb,33.0,"Invalid WP multiplicities - A2B14C14D3_oI66_71_f_hl2o_e3lm_ai:Cs-Li-O-Tb, expected Cs2Li22Tb3O18 to be Cs2Li14Tb3O14" +mp-8425,Li8TbO6,-5.5849756433,-2.2792502233,0.0506925087,0.0506925087,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-O-Tb,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_2c2f_f_a:Li-O-Tb, expected Li16TbO6 to be Li8TbO6" +mp-562387,Li6Tb2O7,-6.1944904043,-2.5045510457,0.0933124063,0.0933124063,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:Li-O-Tb,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_9e_2a10e_e:Li-O-Tb, expected Li9TbO11 to be Li6Tb2O7" +mp-1196951,Ce2Te7Br2O17,-6.3001154395,-1.9762195711,0.0,-0.0141255988,GGA,P2/c,A2B2C17D7_mP56_13_g_g_e8g_f3g:Br-Ce-O-Te,56.0,A2B2C17D7_mP56_13_g_g_e8g_f3g:Br-Ce-O-Te +mp-4883,Ba(FeP)2,-6.74967259,-0.8125481153,0.0,-0.1327623433,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Fe-P,5.0,AB2C2_tI10_139_a_d_e:Ba-Fe-P +mp-1013586,Ba3AsP,-3.851431508,-0.6855623617000001,0.3436735458,0.3436735458,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ba-P,5.0,AB3C_cP5_221_a_c_b:As-Ba-P +mp-1013711,Ba3AsP,-3.668456264,-0.5025871177,0.5266487898000001,0.5266487898000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ba-P,5.0,AB3C_cP5_221_b_c_a:As-Ba-P +mp-1224707,Fe2AsP,-7.1295488213,-0.3764329883,0.0440863023,0.0440863023,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:As-Fe-P,8.0,AB2C_oP8_26_a_ab_b:As-Fe-P +mp-1228429,Ba2Fe4AsP3,-6.602368505,-0.7406624405000001,0.0097140923,0.0097140923,GGA,Amm2,AB2C4D3_oC20_38_a_ab_f_a2b:As-Ba-Fe-P,10.0,AB2C4D3_oC20_38_a_ab_f_a2b:As-Ba-Fe-P +mp-1114031,KRb2TlCl6,-3.465528042,-1.8129950221,0.0363056113,0.0363056113,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tl +mp-1110787,Rb2AgSbF6,-4.554804874,-2.5156549547,0.0780277287,0.0780277287,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Sb +mp-1191180,La3BeBiS7,-6.0814347496,-1.8028453847,0.1124552675,0.1124552675,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Bi-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Bi-La-S +mp-23615,Si2Bi14IrI12,-3.468442789,-0.3258112628,0.1824543197,0.1824543197,GGA,P4/mcc,A14B12CD2_tP58_124_gmn_mn_b_h:Bi-I-Ir-Si,58.0,A14B12CD2_tP58_124_gmn_mn_b_h:Bi-I-Ir-Si +mp-680182,Bi9Ir2I3,-4.3342937564,-0.2870530721,0.0,-0.0187960505,GGA,Pnma,A9B3C2_oP112_62_6c6d_2c2d_2d:Bi-I-Ir,112.0,"Invalid WP multiplicities - A9B3C2_oP112_62_24c47d_7c12d_8d:Bi-I-Ir, expected Bi118Ir16I31 to be Bi9Ir2I3" +mp-581330,CsCa2Nb3O10,-8.4492307178,-3.156892945,0.0,-0.0032483449,GGA,Pnma,A2BC3D10_oP128_62_4c_2c_ab2d_6c7d:Ca-Cs-Nb-O,128.0,"Invalid WP multiplicities - A2BC3D10_oP128_62_14c_6c_4a4b11d_23c53d:Ca-Cs-Nb-O, expected Cs6Ca14Nb30O129 to be CsCa2Nb3O10" +mp-27556,CsNbO3,-8.0026819288,-2.8353272196,0.0,-0.1425515506,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:Cs-Nb-O,40.0,ABC3_mP40_14_2e_2e_6e:Cs-Nb-O +mp-1096944,CsNbO3,-7.751388582,-2.5840338728,0.2512933468,0.1087417961,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Nb-O,5.0,ABC3_cP5_221_a_b_c:Cs-Nb-O +mp-581217,Cs2Nb4O11,-8.6410559872,-2.9581382973,0.0,-0.0405459098,GGA,Pnna,A2B4C11_oP136_52_2e_cd3e_11e:Cs-Nb-O,136.0,"Invalid WP multiplicities - A2B4C11_oP136_52_10e_4c4d16e_81e:Cs-Nb-O, expected Cs10Nb20O81 to be Cs2Nb4O11" +mp-558946,BaSbSe2F,-4.9815360645,-1.9912804439,0.003935191,0.003935191,GGA,P-1,ABCD2_aP20_2_2i_2i_2i_4i:Ba-F-Sb-Se,20.0,"Invalid WP multiplicities - ABCD2_aP20_2_4i_3i_4i_7i:Ba-F-Sb-Se, expected Ba4Sb4Se7F3 to be BaSbSe2F" +mp-1191109,La3YbBeS7,-6.145022225,-2.058172931,0.1655166674,0.1655166674,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Yb,,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Yb +mp-1188442,LaYbS3,-5.8183699165,-2.0413769194,0.2770089385,0.2770089385,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:La-S-Yb,,AB3C_oP20_33_a_3a_a:La-S-Yb +mp-684002,LaYbS3,-5.8660237683,-2.0890307712,0.2293550867,0.2293550867,GGA,Pnma,AB3C_oP60_62_3c_9c_3c:La-S-Yb,,"Invalid WP multiplicities - AB3C_oP60_62_12c_31c_9c:La-S-Yb, expected La12Yb9S31 to be LaYbS3" +mp-21106,LaYbS3,-5.8764924235,-2.0994994264,0.2188864315,0.2188864315,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-S-Yb,,AB3C_oP20_62_c_cd_a:La-S-Yb +mp-8215,LaYbS3,-5.864602717,-2.0876097199,0.230776138,0.230776138,GGA,Cmcm,AB3C_oC20_63_c_cf_a:La-S-Yb,,AB3C_oC20_63_c_cf_a:La-S-Yb +mp-675767,La2YbS4,-6.4830899721,-2.4891725496,0.0063792207,0.0063792207,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-S-Yb,,A2B4C_tI28_122_d_e_a:La-S-Yb +mp-676443,La5YbS8,-6.7026150871,-2.4660977486,0.0174668121,0.0174668121,GGA,I-4,A5B8C_tI28_82_ag_2g_c:La-S-Yb,,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_5g_c:La-S-Yb, expected La9YbS20 to be La5YbS8" +mp-1190422,La(YbS2)3,-5.379399196,-1.9420460814,0.2405567455,0.2405567455,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:La-S-Yb,,AB6C3_mP20_11_e_6e_3e:La-S-Yb +mp-1226719,Cs2Sn4Se9O,-4.0794757941,-0.6895392832,0.2975435887,0.2975435887,GGA,Pna2_1,A2BC9D4_oP64_33_2a_a_9a_4a:Cs-O-Se-Sn,64.0,"Invalid WP multiplicities - A2BC9D4_oP64_33_2a_a_24a_14a:Cs-O-Se-Sn, expected Cs2Sn14Se24O to be Cs2Sn4Se9O" +mp-573369,Cs3Nd(MoO4)3,-7.6478943854,-2.4188644163,0.0,-0.0066896742,GGA+U,Pnma,A3B3CD12_oP76_62_3c_3c_c_6c3d:Cs-Mo-Nd-O,76.0,A3B3CD12_oP76_62_3c_3c_c_6c3d:Cs-Mo-Nd-O +mp-1213270,CsNd(MoO4)2,-8.1084999404,-2.5311366309,0.0,-0.0199712749,GGA+U,P2/c,AB2CD8_mP24_13_e_g_f_4g:Cs-Mo-Nd-O,24.0,AB2CD8_mP24_13_e_g_f_4g:Cs-Mo-Nd-O +mp-1213307,CsNd(MoO4)2,-8.073280875,-2.4959175655,0.0352190654,0.0152477905,GGA+U,C2/c,AB2CD8_mC48_15_e_f_e_4f:Cs-Mo-Nd-O,24.0,AB2CD8_mC48_15_e_f_e_4f:Cs-Mo-Nd-O +mp-1213316,CsNd(MoO4)2,-8.1084125046,-2.531049195,8.743580000000001e-05,-0.0198838391,GGA+U,Pccm,AB2CD8_oP24_49_e_q_f_2qr:Cs-Mo-Nd-O,24.0,AB2CD8_oP24_49_e_q_f_2qr:Cs-Mo-Nd-O +mp-22356,In2HgS4,-3.9284885836,-0.7352246846,0.0,-0.0306425637,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Hg-In-S,14.0,AB2C4_cF56_227_a_d_e:Hg-In-S +mp-1196151,InHg7S6Cl5,-2.8002574897,-0.7508454484,0.0,-0.0091125732,GGA,P-1,A5B7CD6_aP38_2_5i_be6i_i_6i:Cl-Hg-In-S,38.0,A5B7CD6_aP38_2_5i_be6i_i_6i:Cl-Hg-In-S +mp-21706,GdAl3(PbO4)2,-8.1453195593,-2.9802014479,0.0039219047,0.0039219047,GGA,Pn-3m,A3BC8D2_cP56_224_f_b_ek_e:Al-Gd-O-Pb,56.0,A3BC8D2_cP56_224_f_b_ek_e:Al-Gd-O-Pb +mp-1209472,Rb2Zr(MoO4)3,-8.0747257842,-2.3855044708,0.0086560483,0.0086560483,GGA+U,Cc,A3B12C2D_mC72_9_3a_12a_2a_a:Mo-O-Rb-Zr,36.0,A3B12C2D_mC72_9_3a_12a_2a_a:Mo-O-Rb-Zr +mp-1197988,Rb8Zr(MoO4)6,-7.4286071997,-2.295622509,0.0,-0.0058113674,GGA+U,C2/m,A6B24C8D_mC78_12_ij_2i5j_hij_a:Mo-O-Rb-Zr,39.0,A6B24C8D_mC78_12_ij_2i5j_hij_a:Mo-O-Rb-Zr +mp-22726,Sr2LuIrO6,-7.4703745955,-2.8285242081,0.0,-0.1292052774,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Lu-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_10e_e:Ir-Lu-O-Sr, expected Sr2LuIrO20 to be Sr2LuIrO6" +mp-1252148,Al(CuO2)2,-6.1524374214,-1.6194739907,0.2030420768,0.2030420768,GGA,I4_1/a,AB2C4_tI28_88_a_d_f:Al-Cu-O,14.0,AB2C4_tI28_88_a_d_f:Al-Cu-O +mp-1401503,Al(CuO2)2,-6.2012209279,-1.6682574971,0.1542585704,0.1542585704,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Cu-O,14.0,AB2C4_cF56_227_a_d_e:Al-Cu-O +mp-1329157,Al2(CuO2)3,-6.2557003077,-1.7585272225000002,0.3222263501,0.3222263501,GGA,P2_1,A2B3C6_mP22_4_2a_3a_6a:Al-Cu-O,22.0,"Invalid WP multiplicities - A2B3C6_oC44_36_4a_5a_10a:Al-Cu-O, expected Al4(CuO2)5 to be Al2(CuO2)3" +mp-1048148,Al2(CuO2)3,-6.2535297864,-1.7563567011,0.3243968714,0.3243968714,GGA,C2/m,A2B3C6_mC22_12_i_ai_3i:Al-Cu-O,11.0,"Invalid WP multiplicities - A2B3C6_mC22_12_i_ai_5i:Al-Cu-O, expected Al2Cu3O10 to be Al2(CuO2)3" +mp-776172,AlCuO3,-6.593635974,-2.0566662472,0.1174838115,0.1174838115,GGA,P2_1/c,ABC3_mP20_14_e_ac_3e:Al-Cu-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2ac_5e:Al-Cu-O, expected Al2Cu3O10 to be AlCuO3" +mp-1347317,AlCuO3,-6.4953869375,-1.9584172107,0.215732848,0.215732848,GGA,Pnma,ABC3_oP20_62_c_a_cd:Al-Cu-O,20.0,ABC3_oP20_62_c_a_cd:Al-Cu-O +mp-1178579,AlCuO3,-6.567560945,-2.0305912182,0.1435588405,0.1435588405,GGA,R-3,ABC3_hR30_148_c_c_f:Al-Cu-O,10.0,ABC3_hR30_148_c_c_f:Al-Cu-O +mp-1253258,AlCuO3,-6.5108825233,-1.9739127966,0.2002372622,0.2002372622,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Al-Cu-O,30.0,ABC3_hP30_185_ab_c_ab2c:Al-Cu-O +mp-1412082,AlCuO3,-6.475611387,-1.9386416603,0.2355083985,0.2355083985,GGA,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Cu-O,10.0,ABC3_hP10_194_a_c_bf:Al-Cu-O +mp-1504314,AlCuO3,-5.386731856,-0.8497621292,1.3243879295,1.3243879295,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-Cu-O,5.0,ABC3_cP5_221_a_b_c:Al-Cu-O +mp-29225,Al4Cu2O7,-6.8358622262,-2.3891285616,0.4170019381,0.4170019381,GGA,F-43m,A4B2C7_cF52_216_e_ac_bg:Al-Cu-O,13.0,A4B2C7_cF52_216_e_ac_bg:Al-Cu-O +mp-1228995,AlInCuO4,-6.4425490471,-2.1020888936,0.111522604,0.111522604,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Al-Cu-In-O,7.0,ABCD4_hR21_160_a_a_a_4a:Al-Cu-In-O +mp-1362276,Al5(CuO4)3,-6.8530195335,-2.3337313488,0.1754831286,0.1754831286,GGA,Cm,A5B3C12_mC80_8_4a3b_6a_12a6b:Al-Cu-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_8_4a4b_6a_12a10b:Al-Cu-O, expected Al6Cu3O16 to be Al5(CuO4)3" +mp-1248380,Al5(CuO4)3,-6.828184667,-2.3088964822,0.2003179951,0.2003179951,GGA,C2/m,A5B3C12_mC80_12_e2ij_3i_6i3j:Al-Cu-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_12_2e2i3j_5i_12i10j:Al-Cu-O, expected Al10Cu5O32 to be Al5(CuO4)3" +mp-1045627,AlCu7O12,-5.5388879755,-0.9488736227,0.2200831803,0.2200831803,GGA,Im-3,AB7C12_cI40_204_a_bc_g:Al-Cu-O,20.0,AB7C12_cI40_204_a_bc_g:Al-Cu-O +mp-1358345,Al10(Cu2O7)3,-6.7829156886,-2.2982816006,0.3357639908,0.3357639908,GGA,Cm,A10B6C21_mC74_8_4a3b_6a_9a6b:Al-Cu-O,37.0,"Invalid WP multiplicities - A10B6C21_mC74_8_4a6b_6a_9a12b:Al-Cu-O, expected Al16(Cu2O11)3 to be Al10(Cu2O7)3" +mp-532426,Al2CuO4,-7.1272010826,-2.6447563433,0.0858957911,0.0858957911,GGA,Cm,A2BC4_mC140_8_10a5b_10a_20a10b:Al-Cu-O,70.0,"Invalid WP multiplicities - A2BC4_mC140_8_10a9b_10a_20a17b:Al-Cu-O, expected Al14Cu5O27 to be Al2CuO4" +mp-530977,Al2CuO4,-7.1426174255,-2.6601726862,0.0704794481,0.0704794481,GGA,Cm,A2BC4_mC112_8_8a4b_8a_16a8b:Al-Cu-O,56.0,"Invalid WP multiplicities - A2BC4_mC112_8_8a7b_8a_16a16b:Al-Cu-O, expected Al11(CuO6)4 to be Al2CuO4" +mp-752645,Al2CuO4,-7.1042999436,-2.6218552043,0.1087969301,0.1087969301,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Al-Cu-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2h2i:Al-Cu-O, expected Al2CuO8 to be Al2CuO4" +mp-34728,Al2CuO4,-7.140773001,-2.6583282617,0.0723238727,0.0723238727,GGA,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Al-Cu-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c15d:Al-Cu-O, expected Al8Cu2O17 to be Al2CuO4" +mp-531283,Al2CuO4,-7.1377537473,-2.655309008,0.0753431264,0.0753431264,GGA,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Cu-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a7b_8a_8a20b:Al-Cu-O, expected Al25(Cu2O17)4 to be Al2CuO4" +mp-27719,Al2CuO4,-7.1371181057,-2.6546733664,0.075978768,0.075978768,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Cu-O,14.0,A2BC4_cF56_227_c_b_e:Al-Cu-O +mvc-11882,Al(CuO2)3,-5.4246250855,-0.8522922748,0.6517289469,0.6517289469,GGA,P2_1,AB3C6_mP20_4_a_3a_6a:Al-Cu-O,20.0,AB3C6_aP20_1_2a_6a_12a:Al-Cu-O +mp-1394351,Al(CuO2)3,-5.416279492,-0.8439466813000001,0.6600745404,0.6600745404,GGA,C2/m,AB3C6_mC20_12_a_ci_3i:Al-Cu-O,10.0,"Invalid WP multiplicities - AB3C6_mC20_12_a_ci_6i:Al-Cu-O, expected Al(CuO4)3 to be Al(CuO2)3" +mp-1337126,Al(CuO2)3,-5.3361595735,-0.7638267628000001,0.7401944589,0.7401944589,GGA,Cmc2_1,AB3C6_oC40_36_a_3a_6a:Al-Cu-O,20.0,"Invalid WP multiplicities - AB3C6_oC40_36_a_6a_12a:Al-Cu-O, expected Al(CuO2)6 to be Al(CuO2)3" +mp-3098,AlCuO2,-6.85234818,-2.4178081994,8.23725e-05,-0.0319224393,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Al-Cu-O,8.0,ABC2_hP8_194_a_c_f:Al-Cu-O +mp-3748,AlCuO2,-6.8524305525,-2.4178905719,0.0,-0.0320048118,GGA,R-3m,ABC2_hR12_166_a_b_c:Al-Cu-O,4.0,ABC2_hR12_166_a_b_c:Al-Cu-O +mp-1228250,Ba3Ho2MoO9,-7.899918105,-3.2140787002,0.0,-0.048814864,GGA+U,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Ba-Ho-Mo-O,30.0,"Invalid WP multiplicities - A3B2CD9_mC60_15_2e2f_f_c_2e13f:Ba-Ho-Mo-O, expected Ba6Ho2MoO28 to be Ba3Ho2MoO9" +mp-1205837,Ba2HoMoO6,-7.942948908,-3.0483347952,0.0,-0.0083859023,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ho-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ho-Mo-O +mp-28518,Tl6SBr4,-3.2354026673,-1.0059097521,0.0009786984,0.0009786984,GGA,P4/mnc,A4BC6_tP22_128_g_a_eh:Br-S-Tl,22.0,A4BC6_tP22_128_g_a_eh:Br-S-Tl +mp-1188364,Tl2Hg3S4,-2.8940146433,-0.4293338816,0.0,-0.006221322,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Hg-S-Tl,18.0,A3B4C2_mC36_15_ef_2f_f:Hg-S-Tl +mp-1204377,TlHg6S4Br5,-2.4801788681,-0.6991997147,0.0090921216,0.0090921216,GGA,I4/m,A5B6C4D_tI64_87_ab2h_hi_i_d:Br-Hg-S-Tl,32.0,A5B6C4D_tI64_87_ab2h_hi_i_d:Br-Hg-S-Tl +mp-685418,Fe2CuO4,-7.2038558188,-1.3715695423,0.1178784327,0.1178784327,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Cu-Fe-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a14b:Cu-Fe-O, expected Fe11(Cu2O11)2 to be Fe2CuO4" +mp-38090,Fe2CuO4,-7.2109799195,-1.3786936431,0.1107543319,0.1107543319,GGA+U,Cm,AB2C4_mC84_8_6a_6a3b_12a6b:Cu-Fe-O,42.0,"Invalid WP multiplicities - AB2C4_mC84_8_6a_6a3b_12a12b:Cu-Fe-O, expected Fe2CuO6 to be Fe2CuO4" +mp-1289263,Fe2CuO4,-7.2382512636,-1.4059649871,0.0834829879,0.0834829879,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Cu-Fe-O,14.0,AB2C4_cF56_227_a_d_e:Cu-Fe-O +mp-770107,Fe2CuO4,-7.2402446636,-1.4079583871,0.0814895879,0.0814895879,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Fe-O,14.0,AB2C4_tI28_141_a_d_h:Cu-Fe-O +mp-758556,Fe13Cu5O24,-7.2598652557,-1.3235119664,0.2019661689,0.2019661689,GGA+U,P1,A5B13C24_aP42_1_5a_13a_24a:Cu-Fe-O,42.0,A5B13C24_aP42_1_5a_13a_24a:Cu-Fe-O +mp-763652,Fe13Cu5O24,-7.3450068207,-1.4086535314,0.1168246039,0.1168246039,GGA+U,P-1,A5B13C24_aP42_2_bcfi_a6i_12i:Cu-Fe-O,42.0,"Invalid WP multiplicities - A5B13C24_aP42_2_bcf2i_a11i_22i:Cu-Fe-O, expected Fe23Cu7O44 to be Fe13Cu5O24" +mp-510281,FeCuO2,-6.9373990987,-1.3217477731,0.0,-0.0124899913,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cu-Fe-O,8.0,ABC2_hR12_166_a_b_c:Cu-Fe-O +mp-505110,FeCuO2,-6.9323286275000005,-1.3166773019,0.0050704712,-0.00741952,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Cu-Fe-O,8.0,ABC2_hP8_194_c_a_f:Cu-Fe-O +mp-1043303,Fe4(CuO4)3,-6.69960624,-1.1449762724,0.0830626843,0.0830626843,GGA+U,Im-3,A3B4C12_cI38_204_b_c_g:Cu-Fe-O,19.0,A3B4C12_cI38_204_b_c_g:Cu-Fe-O +mp-2214547,Fe5CuO8,-7.5472341664,-1.4027468514,0.1947916046,0.1947916046,GGA+U,R3m,AB5C8_hR42_160_a_2ab_2a2b:Cu-Fe-O,14.0,AB5C8_cF56_216_a_ce_2e:Cu-Fe-O +mp-37779,Fe5CuO8,-7.60982777,-1.465340455,0.1321980011,0.1321980011,GGA+U,R-3m,AB5C8_hR42_166_a_cd_ch:Cu-Fe-O,14.0,"Invalid WP multiplicities - AB5C8_hR42_166_a_cd_2ch:Cu-Fe-O, expected Fe5CuO10 to be Fe5CuO8" +mp-33300,Fe5CuO8,-7.6523986471,-1.5079113321,0.0896271239,0.0896271239,GGA+U,F-43m,AB5C8_cF56_216_a_ce_2e:Cu-Fe-O,14.0,AB5C8_cF56_216_a_ce_2e:Cu-Fe-O +mp-1225569,ErFeCu,-5.7987709217,-0.0864553583,0.1156002217,0.1156002217,GGA,Imma,ABC_oI12_74_a_e_c:Cu-Er-Fe,6.0,ABC_oI12_74_a_e_c:Cu-Er-Fe +mp-705842,Fe9Cu3O16,-7.4081723986,-1.4197856029,0.1237076127,0.1237076127,GGA+U,P-1,A3B9C16_aP28_2_ai_cfh3i_8i:Cu-Fe-O,28.0,"Invalid WP multiplicities - A3B9C16_aP28_2_a2i_cfh5i_15i:Cu-Fe-O, expected Fe13(CuO6)5 to be Fe9Cu3O16" +mp-868046,Fe9Cu3O16,-7.3913694543,-1.4029826586,0.140510557,0.140510557,GGA+U,Pmm2,A3B9C16_oP28_25_abc_defgh_2e2f2g2h:Cu-Fe-O,28.0,A3B9C16_mP28_6_2ab_2a3b2c_4a4b4c:Cu-Fe-O +mp-861469,Fe9Cu3O16,-7.3940255871,-1.4056387914,0.1378544241,0.1378544241,GGA+U,P-4m2,A3B9C16_tP28_115_ag_cjk_2j2k:Cu-Fe-O,28.0,"Invalid WP multiplicities - A3B9C16_tP28_115_a2g_c2jk_4j3k:Cu-Fe-O, expected Fe13Cu5O28 to be Fe9Cu3O16" +mp-1188611,ErFe4(CuO4)3,-7.1481042835,-1.6428198738000002,0.0478097599,0.0478097599,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Er-Fe-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Er-Fe-O +mp-1225556,Er2Fe3Cu,-6.5341739083,-0.093389255,0.0680766125,0.0680766125,GGA,R-3m,AB2C3_hR18_166_a_c_d:Cu-Er-Fe,6.0,AB2C3_hR18_166_a_c_d:Cu-Er-Fe +mp-1228837,AlZnCrS4,-5.6362768779,-1.1785388239,0.0,-0.0038918568,GGA,Imma,ABC4D_oI28_74_a_c_hi_e:Al-Cr-S-Zn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_2h2i_e:Al-Cr-S-Zn, expected AlZnCrS8 to be AlZnCrS4" +mp-560014,Pr3CuSnS7,-6.0180517729,-1.7341647014,0.0,-0.0265090206,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Pr-S-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b7c_b:Cu-Pr-S-Sn, expected Pr3CuSnS23 to be Pr3CuSnS7" +mp-1207833,Yb6Al43Cr4,-4.1534797268,-0.211789156,0.0,-0.0267422301,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Yb,,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Yb +mp-1207693,Yb3Al3Cr2O12,-7.7835764865,-3.0574808962,0.0462523121,0.0462523121,GGA+U,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Al-Cr-O-Yb,,A3B2C12D3_cI160_230_d_a_h_c:Al-Cr-O-Yb +mp-1188667,YbAlO3,-7.229669609,-3.2046195602,0.0155168067,0.0155168067,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Yb,,AB3C_oP20_62_a_cd_c:Al-O-Yb +mp-759116,YbAlO3,-7.105473057,-3.0804230083,0.1397133587,0.1397133587,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Al-O-Yb,,"Invalid WP multiplicities - AB3C_hP10_194_c_b2f_a:Al-O-Yb, expected YbAlO5 to be YbAlO3" +mp-758371,YbAlO3,-7.228837384,-3.2037873353,0.0163490317,0.0163490317,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Yb,,AB3C_cP5_221_b_c_a:Al-O-Yb +mp-1104883,Yb(Al2Cr)4,-5.5376541323,-0.1440845323,0.0383057191,0.0383057191,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Yb,,A8B4C_tI26_139_ij_f_a:Al-Cr-Yb +mp-1207582,YbCrO3,-8.0242030405,-2.8176586638,0.0,-0.0351146472,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Yb,,AB3C_oP20_62_a_cd_c:Cr-O-Yb +mp-1187572,YbCrO3,-7.88220852,-2.6756641433,0.1419945205,0.1068798733,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Yb,,AB3C_cP5_221_b_c_a:Cr-O-Yb +mp-19023,YbCrO4,-7.7265697567,-2.5633346575,0.0,-0.215285771,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Yb,,AB4C_tI24_141_a_h_b:Cr-O-Yb +mp-3800,Yb3Al5O12,-7.3587600397,-3.2234116135,0.0756890163,0.0756890163,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Al-O-Yb,,A5B12C3_cI160_230_ad_h_c:Al-O-Yb +mp-1195753,Yb(Al10Cr)2,-4.2901907689,-0.1268333854,0.0047295829,0.0047295829,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Yb,,A20B2C_cF184_227_cfg_d_a:Al-Cr-Yb +mp-1207766,Yb4Al2O9,-6.852958587,-2.9749730416,0.1398776416,0.1398776416,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Yb,,A2B9C4_mP60_14_2e_9e_4e:Al-O-Yb +mp-1198773,YbCrO5,-7.023529905,-1.8912300041,0.305913988,0.305913988,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cr-O-Yb,,AB5C_mP56_14_2e_10e_2e:Cr-O-Yb +mp-1187886,Yb2Al2O5,-7.4190873956,-3.4964416426,0.0211104128,0.0211104128,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Al-O-Yb,,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Al-O-Yb, expected Yb2Al2O9 to be Yb2Al2O5" +mp-1208116,YbCr2O2,-7.513677324,-1.3658611955,0.8753955107,0.8753955107,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Yb,,A2B2C_tI40_141_h_h_c:Cr-O-Yb +mp-1237225,YbCr2O2,-7.2647689505,-1.116952822,1.1243038842,1.1243038842,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Yb,,A2B2C_tI40_141_h_h_c:Cr-O-Yb +mp-1218169,SrPrInO4,-7.0607901629,-2.9166704795,0.0362409581,0.0362409581,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:In-O-Pr-Sr,28.0,AB4CD_oP28_19_a_4a_a_a:In-O-Pr-Sr +mp-1077975,Sm4Bi2O,-5.90846485,-1.4081774912,0.0985822743,0.0985822743,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Bi-O-Sm,7.0,A2BC4_tI14_139_e_a_ce:Bi-O-Sm +mp-768383,SmBiO4,-7.1661819358,-2.4418769175,0.0,-0.0938482915,GGA,C2/c,AB4C_mC24_15_e_2f_e:Bi-O-Sm,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Bi-O-Sm, expected SmBiO10 to be SmBiO4" +mp-757507,Sm3Bi5O12,-7.0942309557,-2.4583075262,0.0291538296,0.0291538296,GGA,P1,A5B12C3_aP40_1_10a_24a_6a:Bi-O-Sm,40.0,A5B12C3_aP40_1_10a_24a_6a:Bi-O-Sm +mp-1068843,Sm2BiO2,-7.54136579,-2.9071580255,0.0,-0.0803981385,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-O-Sm,5.0,AB2C2_tI10_139_a_d_e:Bi-O-Sm +mp-546152,SmBi2ClO4,-6.6991840213,-2.4448270338,0.0,-0.0685185373,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Sm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Sm +mp-1224105,Ho2FeSbO7,-7.87834065,-2.7519169074,0.1202943088,0.1202943088,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Fe-Ho-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Fe-Ho-O-Sb, expected Ho2FeSbO13 to be Ho2FeSbO7" +mp-4416,Ho6FeSb2,-5.5045816511,-0.5909731056,0.002952196,0.002952196,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Fe-Ho-Sb,9.0,AB6C2_hP9_189_a_fg_d:Fe-Ho-Sb +mp-1223338,La2MnRhO6,-8.37125317,-2.763406206,0.1138197952,0.1138197952,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mn-O-Rh,40.0,A2BC6D_mP20_14_e_a_3e_b:La-Mn-O-Rh +mp-1205506,NdSiRu2C,-8.149600197,-0.55541299,0.0,-0.079014019,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Nd-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Nd-Ru-Si +mp-29893,Hg2MoO4,-5.8180979782,-1.3552743089,0.0,-0.0336356554,GGA+U,P2_1/c,A2BC4_mP28_14_2e_e_4e:Hg-Mo-O,28.0,A2BC4_mP28_14_2e_e_4e:Hg-Mo-O +mp-558802,Hg2MoO4,-5.8107763886,-1.3479527193,0.0073215896,-0.0263140657,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:Hg-Mo-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_f_e_5f:Hg-Mo-O, expected Hg2MoO10 to be Hg2MoO4" +mp-19363,HgMoO4,-6.6979259825,-1.5419117625,0.0,-0.0453311594,GGA+U,C2/c,ABC4_mC24_15_c_e_2f:Hg-Mo-O,12.0,ABC4_mC24_15_a_e_2f:Hg-Mo-O +mp-2232121,MgHg4(MoO4)2,-5.6704833820000005,-1.398495954,0.1987990947,0.1987990947,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O +mp-2232513,MgHg4(MoO4)2,-5.7230184533,-1.4510310253,0.1462640233,0.1462640233,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O +mp-2232598,MgHg4(MoO4)2,-5.7099171447,-1.4379297167,0.159365332,0.159365332,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:Hg-Mg-Mo-O +mp-2226950,MgHg2(MoO4)2,-6.5456079762,-1.6631117692,0.1799209792,0.1799209792,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Hg-Mg-Mo-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Hg-Mg-Mo-O +mp-29148,Hg2Mo5O16,-7.5583546557,-1.7330228878,0.0189483692,0.0189483692,GGA+U,P2/c,A2B5C16_mP46_13_g_e2g_8g:Hg-Mo-O,46.0,"Invalid WP multiplicities - A2B5C16_mP46_13_g_e2g_9g:Hg-Mo-O, expected Hg2Mo5O18 to be Hg2Mo5O16" +mp-554533,Hg2Mo2O7,-6.7351274877,-1.560083676,0.0025549467,0.0025549467,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Hg-Mo-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_4i_2i_14i:Hg-Mo-O, expected Hg2MoO7 to be Hg2Mo2O7" +mp-30136,Hg2Mo2O7,-6.7349850882,-1.5599412765,0.0026973462,0.0026973462,GGA+U,P2/c,A2B2C7_mP22_13_g_g_e3g:Hg-Mo-O,22.0,"Invalid WP multiplicities - A2B2C7_mP22_13_g_g_e5g:Hg-Mo-O, expected Hg2Mo2O11 to be Hg2Mo2O7" +mp-561361,Hg2Mo2O7,-6.734655775,-1.5596119633,0.0030266594,0.0030266594,GGA+U,C2/c,A2B2C7_mC88_15_2f_2f_2e6f:Hg-Mo-O,44.0,"Invalid WP multiplicities - A2B2C7_mC88_15_2f_4f_4e23f:Hg-Mo-O, expected Hg2Mo4O25 to be Hg2Mo2O7" +mp-1110634,Na2LiRuF6,-5.074542107,-2.5448171271,0.0516549691,0.0516549691,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ru +mp-1111685,Li3RuF6,-5.083766023,-2.4367615285,0.2665382726,0.2665382726,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Ru,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Ru +mp-1111341,NaLi2RuF6,-4.939805312,-2.3514405748,0.3063730176,0.3063730176,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ru,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ru +mp-976955,Li2RuF6,-5.3268156706,-2.5978021063,0.0,-0.0454986288,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-Ru,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2f2j_e_a:F-Li-Ru, expected Li2RuF12 to be Li2RuF6" +mp-1078834,LiRuF6,-5.2334724425,-2.401947541,0.0,-0.0951943645,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-Ru,8.0,A6BC_hR24_148_f_a_b:F-Li-Ru +mp-1212249,Hf3AgHg3F20,-5.7070531006,-3.0461366732,0.0,-0.0240524877,GGA,P6_3/m,AB20C3D3_hP54_176_a_bc4hi_h_h:Ag-F-Hf-Hg,54.0,AB20C3D3_hP54_176_a_bc4hi_h_h:Ag-F-Hf-Hg +mp-1208823,SrGaF5,-5.5359086813000005,-3.4966252079,0.0,-0.0087032555,GGA,I4,A5BC_tI112_79_2ab9c_2abc_2c:F-Ga-Sr,56.0,A5BC_tI112_79_2ab9c_2abc_2c:F-Ga-Sr +mp-1210031,NaSrGaF6,-5.3809233472,-3.4354801723,0.0,-0.0273629244,GGA,P2_12_12_1,A6BCD_oP36_19_6a_a_a_a:F-Ga-Na-Sr,36.0,A6BCD_oP36_19_6a_a_a_a:F-Ga-Na-Sr +mp-557055,CuClF10,-3.1243409637,-1.0357965467,0.0,-0.0994844227,GGA,P2_1/c,ABC10_mP24_14_a_d_5e:Cl-Cu-F,24.0,ABC10_mP24_14_a_d_5e:Cl-Cu-F +mp-1147707,Rb2Cu(ClF)2,-3.9776295014,-2.0375857771,0.0710097539,0.0710097539,GGA,I4/mmm,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-F-Rb,7.0,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-F-Rb +mp-866227,CaNdRh2,-5.88577601,-0.5101852469,0.0193011076,0.0193011076,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Nd-Rh,4.0,ABC2_cF16_225_a_b_c:Ca-Nd-Rh +mp-1233484,CaNd4(RhO3)4,-7.5880959138,-2.3549680269,0.2410284308,0.2410284308,GGA,Pm,AB4C12D4_mP21_6_a_2a2b_2a2b4c_2c:Ca-Nd-O-Rh,21.0,"Invalid WP multiplicities - AB4C12D4_mP21_6_a_2a2b_2a2b7c_3c:Ca-Nd-O-Rh, expected CaNd4(RhO3)6 to be CaNd4(RhO3)4" +mp-1216368,VCrSe2,-7.0798490125,-0.6476548887,0.1601551228,0.1601551228,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cr-Se-V,4.0,AB2C_hP4_164_a_d_b:Cr-Se-V +mp-1216488,V3CrGaSe8,-6.1116615923,-0.8885728597,0.0854435758,0.0854435758,GGA,R3m,ABC8D3_hR39_160_a_a_2a2b_b:Cr-Ga-Se-V,13.0,ABC8D3_hR39_160_a_a_2a2b_b:Cr-Ga-Se-V +mp-1216693,V2Cr2GaSe8,-6.1844073662,-0.9175385259,0.0083538308,0.0083538308,GGA,Imm2,A2BC8D2_oI26_44_c_a_2c2d_d:Cr-Ga-Se-V,13.0,A2BC8D2_oI26_44_c_a_2c2d_d:Cr-Ga-Se-V +mp-21504,V4GaSe8,-6.2014491392,-1.0221405143,0.0,-0.0424522656,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ga-Se-V,13.0,AB8C4_cF52_216_a_2e_e:Ga-Se-V +mp-1216415,VCr3GaSe8,-6.1869524338,-0.8763034859000001,0.0014647919,0.0014647919,GGA,R3m,A3BC8D_hR39_160_b_a_2a2b_a:Cr-Ga-Se-V,13.0,A3BC8D_hR39_160_b_a_2a2b_a:Cr-Ga-Se-V +mp-1025232,V2CrSe4,-6.8873874157,-0.9153151985,0.0078962432,0.0078962432,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Cr-Se-V,7.0,AB4C2_mC14_12_a_2i_i:Cr-Se-V +mp-1213705,Cs2NaGaP2,-3.2608444583,-0.4328392794,0.0,-0.0427201894,GGA,Ibam,A2BCD2_oI24_72_j_a_b_j:Cs-Ga-Na-P,12.0,A2BCD2_oI24_72_j_a_b_j:Cs-Ga-Na-P +mp-1201960,Cs3GaP2,-3.1562776021,-0.3994595767,0.0,-0.1027693921,GGA,P2_1/c,A3BC2_mP48_14_6e_2e_4e:Cs-Ga-P,48.0,A3BC2_mP48_14_6e_2e_4e:Cs-Ga-P +mp-1112180,K2ScInCl6,-4.366429479,-2.1268124101,0.0569545826,0.0569545826,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Sc +mp-1113179,Cs2HgBiF6,-4.253140409,-2.5127556046,0.0704203745,0.0704203745,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Hg +mp-1246052,SrCa5N4,-5.276598562,-0.7702513067000001,0.1211798241,0.1211798241,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Ca-N-Sr,20.0,A5B4C_oP20_59_ag_ef_b:Ca-N-Sr +mp-1245911,Sr2CaN2,-4.9228898675,-0.5113745402000001,0.2541665623,0.2541665623,GGA,Cmce,AB2C2_oC40_64_f_2f_2f:Ca-N-Sr,20.0,AB2C2_oC40_64_f_2f_2f:Ca-N-Sr +mp-1245917,Sr2CaN2,-5.066036666,-0.6545213387000001,0.1110197638,0.1110197638,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-N-Sr,5.0,AB2C2_hP5_164_a_d_d:Ca-N-Sr +mp-1106358,CaNCl3,-4.130278445,-0.952737488,0.7293612780000001,0.7293612780000001,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ca-Cl-N,20.0,AB3C_oP20_62_a_cd_c:Ca-Cl-N +mp-1218427,Sr4CaCl10,-4.6782731013,-2.8616770818,0.0147042047,0.0147042047,GGA,Immm,AB10C4_oI30_71_a_f2n_2g:Ca-Cl-Sr,15.0,"Invalid WP multiplicities - AB10C4_oI30_71_a_2f5n_3g:Ca-Cl-Sr, expected Sr6CaCl24 to be Sr4CaCl10" +mp-727235,Ca(NCl)2,-3.967875825,0.507256785,2.189355551,2.189355551,GGA,Aem2,AB2C2_oC20_39_c_ab_2c:Ca-Cl-N,10.0,AB2C2_oC20_39_c_ab_2c:Ca-Cl-N +mp-22936,Ca2NCl,-5.3548807275,-1.8058228913,0.0,-0.1711396166,GGA,R-3m,A2BC_hR12_166_c_a_b:Ca-Cl-N,4.0,A2BC_hR12_166_c_a_b:Ca-Cl-N +mp-1218385,Sr3Ca(NCl)2,-5.118815105,-1.6882971788,0.0119805438,0.0119805438,GGA,Cm,AB2C2D3_mC16_8_a_2a_2a_3a:Ca-Cl-N-Sr,8.0,AB2C2D3_mC16_8_a_2a_2a_3a:Ca-Cl-N-Sr +mp-1247470,SrCa2N2,-5.10230447,-0.6275678573,0.2218999307,0.2218999307,GGA,Pmmn,A2B2C_oP10_59_e_e_a:Ca-N-Sr,10.0,A2B2C_oP10_59_e_e_a:Ca-N-Sr +mp-1111460,CsRb2BiF6,-4.656872719,-2.8402893738,0.0663409187,0.0663409187,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cs-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cs-F-Rb +mp-559695,Cs2RbBiF6,-4.727094174,-2.9190239988,0.0,-0.0271641875,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Rb +mp-1208971,SmNbO2,-8.55530463,-2.3769874806,0.6160131874,0.6160131874,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Nb-O-Sm,16.0,AB2C_tI32_141_c_h_d:Nb-O-Sm +mp-14152,SmNbO4,-9.3065834908,-3.5388091542,0.0,-0.1067046204,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Sm,12.0,AB4C_mC24_15_e_2f_e:Nb-O-Sm +mp-1219224,Sm2NbInO7,-8.4004720118,-3.2262009192,0.0360001223,0.0360001223,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:In-Nb-O-Sm,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:In-Nb-O-Sm, expected Sm2NbInO13 to be Sm2NbInO7" +mp-9595,NbInO4,-8.0654819425,-2.6255246733,0.0,-0.0226136535,GGA,P2/c,ABC4_mP12_13_e_f_2g:In-Nb-O,12.0,ABC4_mP12_13_e_f_2g:In-Nb-O +mp-755512,Sm3NbO7,-9.03781524,-3.6847348378,0.0013046297,0.0013046297,GGA,P-1,AB7C3_aP22_2_ab_7i_3i:Nb-O-Sm,22.0,"Invalid WP multiplicities - AB7C3_aP22_2_ab_13i_5i:Nb-O-Sm, expected Sm5NbO13 to be Sm3NbO7" +mp-756591,Sm3NbO7,-9.0374515091,-3.6843711069,0.0016683606,0.0016683606,GGA,C222_1,AB7C3_oC44_20_a_3b2c_ac:Nb-O-Sm,22.0,"Invalid WP multiplicities - AB7C3_oC44_20_a_6b3c_a2c:Nb-O-Sm, expected Sm5NbO12 to be Sm3NbO7" +mp-779858,Sm3NbO7,-9.0359589095,-3.6828785074,0.0031609601,0.0031609601,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Nb-O-Sm,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_4c9d_3c2d:Nb-O-Sm, expected Sm7NbO22 to be Sm3NbO7" +mp-755901,Sm3NbO7,-9.02065494,-3.6675745378,0.0184649297,0.0184649297,GGA,Cmcm,AB7C3_oC44_63_a_cgh_bg:Nb-O-Sm,22.0,"Invalid WP multiplicities - AB7C3_oC44_63_a_c2g2h_b2g:Nb-O-Sm, expected Sm5NbO13 to be Sm3NbO7" +mp-752437,SmInO3,-7.3619454195,-2.8998782198,0.0303930866,0.0303930866,GGA,Pnma,AB3C_oP20_62_a_cd_c:In-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:In-O-Sm, expected SmInO7 to be SmInO3" +mp-14364,Cs2LiAsO4,-5.6203527387,-2.1021526311,0.0,-0.0070973556,GGA,Cmc2_1,AB2CD4_oC32_36_a_2a_a_2ab:As-Cs-Li-O,16.0,"Invalid WP multiplicities - AB2CD4_oC32_36_a_2a_a_2a2b:As-Cs-Li-O, expected Cs2LiAsO6 to be Cs2LiAsO4" +mp-1211808,K6Na14Tl18Hg,-1.8622298756,-0.1184092399,0.0080787403,0.0080787403,GGA,Pm-3,AB6C14D18_cP39_200_b_f_gi_ek:Hg-K-Na-Tl,39.0,AB6C14D18_cP39_200_b_f_gi_ek:Hg-K-Na-Tl +mp-1096633,K2NaHg,-0.5549286875,0.4068222006,0.5411065374,0.5411065374,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-K-Na,4.0,AB2C_oI8_71_a_e_b:Hg-K-Na +mp-1096326,KNaHg2,-0.4186294325,0.3414418101,0.5890021837,0.5890021837,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-K-Na,4.0,A2BC_oI8_71_e_a_b:Hg-K-Na +mp-684037,K29NaHg48,-0.8703692562,-0.253692945,0.0170188037,0.0170188037,GGA,Pm-3n,A48B29C_cP156_223_2kl_bcdik_a:Hg-K-Na,156.0,"Invalid WP multiplicities - A48B29C_cP156_223_34k24l_6b5c5d12i14k_a:Hg-K-Na, expected K312NaHg984 to be K29NaHg48" +mp-546625,HoBi2BrO4,-6.6445184025,-2.4441221144,0.0,-0.0509799157,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Ho-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Ho-O +mp-1193597,Co(MoS2)2,-7.3632913593,-0.8853745761,0.1445301371,0.1445301371,GGA,Cc,AB2C4_mC56_9_2a_4a_8a:Co-Mo-S,28.0,AB2C4_mC56_15_f_2f_4f:Co-Mo-S +mp-7923,Co(MoS2)2,-7.3721825971,-0.8942658139,0.1356388993,0.1356388993,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Mo-S,7.0,AB2C4_mC14_12_a_i_2i:Co-Mo-S +mp-1192773,Co(MoS2)2,-7.3700079425,-0.8920911593,0.1378135539,0.1378135539,GGA,C2/c,AB2C4_mC56_15_f_2f_4f:Co-Mo-S,28.0,AB2C4_mC56_9_2a_4a_8a:Co-Mo-S +mp-1023124,Co2MoS4,-6.5250190586,-0.5810068918,0.344842193,0.344842193,GGA,I-4,A2BC4_tI14_82_ac_b_g:Co-Mo-S,7.0,A2BC4_tI14_82_ac_b_g:Co-Mo-S +mp-1226126,CoRe2(MoS4)2,-7.5814461631,-0.9060406769,0.0783276124,0.0783276124,GGA,Imm2,AB2C2D8_oI26_44_a_c_d_2c2d:Co-Mo-Re-S,13.0,AB2C2D8_oI26_44_a_c_d_2c2d:Co-Mo-Re-S +mp-1209173,RbCuTeS3,-4.1103584487,-0.6716257427,0.0548747926,0.0548747926,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cu-Rb-S-Te,24.0,ABC3D_mP24_14_e_e_3e_e:Cu-Rb-S-Te +mp-1219689,Rb6CuAgO4,-3.8939642098,-1.177154047,0.0069723067,0.0069723067,GGA,P4_1,ABC4D6_tP48_76_a_a_4a_6a:Ag-Cu-O-Rb,48.0,ABC4D6_tP48_76_a_a_4a_6a:Ag-Cu-O-Rb +mp-1213117,Dy2CuSe2O,-5.0440456283,-0.8354969589,1.5133926792,1.5133926792,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-Dy-O-Se,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-Dy-O-Se +mp-1206200,DyCu2SeO2,-5.1068604483,-0.7411122683,1.2212993704,1.2212993704,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Cu-Dy-O-Se,6.0,A2BC2D_tP6_123_g_a_g_b:Cu-Dy-O-Se +mp-9304,DyCuSeO,-6.5554996725,-2.2683512478,0.0162461416,0.0162461416,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Dy-O-Se,8.0,ABCD_tP8_129_a_c_b_c:Cu-Dy-O-Se +mp-1103823,Yb2GeS4,-5.1284303736,-1.6644241046,0.0478700085,0.0478700085,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Ge-S-Yb,,AB4C2_mP14_11_e_2ef_2e:Ge-S-Yb +mp-4494,NaYbS2,-4.3243879,-1.5406295732,0.2478210581,0.2478210581,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Yb,,AB2C_hR12_166_a_c_b:Na-S-Yb +mp-1190483,NaYb3GeS7,-4.6597701717,-1.3664762503,0.2835015044,0.2835015044,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Ge-Na-S-Yb,,ABC7D3_hP24_173_b_a_b2c_c:Ge-Na-S-Yb +mp-1022041,Mg6CoMo,-3.1965665212,0.2478895044,0.2672366726,0.2672366726,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Mo, expected Mg12CoMo to be Mg6CoMo" +mp-1022071,Mg6CoMo,-3.1502709987,0.2941850269,0.3135321951,0.3135321951,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Mo, expected Mg12CoMo to be Mg6CoMo" +mp-1028400,Mg14CoMo,-2.3701386431,0.1522293947,0.1689489345,0.1689489345,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Mo, expected Mg18CoMo to be Mg14CoMo" +mp-1028389,Mg14CoMo,-2.3552924681,0.1670755697,0.1837951095,0.1837951095,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Mo, expected Mg26CoMo to be Mg14CoMo" +mp-1247076,Mg2Co3MoS8,-5.7690676486,-0.8788703250000001,0.2207772782,0.2207772782,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Co-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Co-Mg-Mo-S, expected Mg2Co3MoS22 to be Mg2Co3MoS8" +mp-1247079,Mg2CoMo3S8,-6.2803909829,-0.8562890429000001,0.3954404296,0.3954404296,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Co-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Co-Mg-Mo-S, expected Mg2CoMo3S16 to be Mg2CoMo3S8" +mp-1247143,MgCoMoS4,-6.0038138464,-0.8466642146000001,0.3530374436,0.3530374436,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Co-Mg-Mo-S, expected MgCoMoS12 to be MgCoMoS4" +mp-1274024,Rb2CoO3,-5.4393465788,-1.4544378998,0.0100548454,-0.0279311629,GGA+U,Cm,AB3C2_mC48_8_4a_4a4b_4b:Co-O-Rb,24.0,"Invalid WP multiplicities - AB3C2_mC48_8_4a_4a8b_8b:Co-O-Rb, expected Rb4CoO5 to be Rb2CoO3" +mp-778414,Rb2CoO3,-5.3662607113,-1.3813520323,0.0831407129,0.0451547046,GGA+U,P2_1/c,AB3C2_mP72_14_3e_9e_6e:Co-O-Rb,72.0,"Invalid WP multiplicities - AB3C2_mP72_14_9e_33e_23e:Co-O-Rb, expected Rb23(Co3O11)3 to be Rb2CoO3" +mp-761568,Rb2CoO3,-5.4415215792,-1.4566129002,0.007879845,-0.0301061633,GGA+U,Cmc2_1,AB3C2_oC24_36_a_ab_b:Co-O-Rb,12.0,"Invalid WP multiplicities - AB3C2_oC24_36_a_a2b_b:Co-O-Rb, expected Rb2CoO5 to be Rb2CoO3" +mp-1285654,Rb2CoO3,-5.4361162792,-1.4512076002,0.013285145,-0.0247008633,GGA+U,Amm2,AB3C2_oC24_38_ab_abf_de:Co-O-Rb,12.0,"Invalid WP multiplicities - AB3C2_oC24_36_a_a2b_b:Co-O-Rb, expected Rb2CoO5 to be Rb2CoO3" +mp-1277299,Rb2CoO3,-5.4494014242,-1.4644927452,0.0,-0.0379860083,GGA+U,Cmcm,AB3C2_oC24_63_c_ce_g:Co-O-Rb,12.0,AB3C2_oC24_63_c_ce_g:Co-O-Rb +mp-780880,Rb2CoO3,-5.3923823975000005,-1.4074737185,0.0570190267,0.0190330183,GGA+U,Cmce,AB3C2_oC48_64_f_e2f_2f:Co-O-Rb,24.0,"Invalid WP multiplicities - AB3C2_oC48_64_f_2e3f_4f:Co-O-Rb, expected Rb4CoO5 to be Rb2CoO3" +mp-1026893,RbMg14Co,-1.6940691213,0.2117291642,0.225163349,0.225163349,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Rb, expected RbMg18Co to be RbMg14Co" +mp-1026867,RbMg14Co,-1.6798708881,0.2259273973,0.2393615821,0.2393615821,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Rb, expected RbMg26Co to be RbMg14Co" +mp-1098327,RbMg6Co,-1.873773055,0.3375434659,0.3521728196,0.3521728196,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Rb,8.0,AB6C_oC16_38_a_abde_b:Co-Mg-Rb +mp-1099288,RbMg6Co,-1.772590075,0.4387264459,0.4533557996,0.4533557996,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:Co-Mg-Rb +mp-1032333,RbMg6CoO8,-5.8420054606,-2.2630028445,0.3866940718,0.3866940718,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Rb, expected RbMg6CoO12 to be RbMg6CoO8" +mp-1032377,RbMg6CoO8,-5.8286164369,-2.2496138208,0.4000830956,0.4000830956,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Rb, expected RbMg6CoO12 to be RbMg6CoO8" +mp-1035444,RbMg14CoO16,-6.1094141269,-2.6831706285,0.1686979794,0.1686979794,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Rb, expected RbMg18CoO20 to be RbMg14CoO16" +mp-1034985,RbMg14CoO16,-6.1008467784,-2.6746032801,0.1772653278,0.1772653278,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Rb, expected RbMg30CoO32 to be RbMg14CoO16" +mp-542299,Rb2Co2O3,-5.76424483,-1.3331348487,0.0,-0.0131534857,GGA+U,Pnma,A2B3C2_oP28_62_2c_cd_2c:Co-O-Rb,28.0,A2B3C2_oP28_62_2c_cd_2c:Co-O-Rb +mp-30194,Rb3CoO2,-4.5199324017,-1.1960494958,0.0,-0.0154391681,GGA+U,Pnma,AB2C3_oP24_62_c_2c_cd:Co-O-Rb,24.0,AB2C3_oP24_62_c_2c_cd:Co-O-Rb +mp-1037038,RbMg30CoO32,-6.2265890408,-2.8767251013,0.0762293523,0.0762293523,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Rb, expected RbMg90CoO80 to be RbMg30CoO32" +mp-1037040,RbMg30CoO32,-6.2177965366,-2.8679325971000003,0.0850218566,0.0850218566,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Rb, expected RbMg110CoO72 to be RbMg30CoO32" +mp-704992,RbCoO2,-5.8239400758,-1.3283827533,0.0930741968,0.0930741968,GGA+U,Pbca,AB2C_oP64_61_2c_4c_2c:Co-O-Rb,64.0,"Invalid WP multiplicities - AB2C_oP64_61_9c_28c_9c:Co-O-Rb, expected Rb9Co9O28 to be RbCoO2" +mp-1147736,RbCoO2,-5.808686115,-1.3131287925,0.1083281576,0.1083281576,GGA+U,Fd-3m,AB2C_cF32_227_a_c_b:Co-O-Rb,8.0,AB2C_cF32_227_a_c_b:Co-O-Rb +mp-772572,Rb6Co2O7,-5.1439227183,-1.4954786514,0.0,-0.097165961,GGA+U,P2_1/c,A2B7C6_mP30_14_e_a3e_3e:Co-O-Rb,30.0,"Invalid WP multiplicities - A2B7C6_mP30_14_e_2a10e_9e:Co-O-Rb, expected Rb9CoO11 to be Rb6Co2O7" +mp-752494,Rb6Co2O7,-5.1131673837,-1.4647233167,0.0307553347,-0.0664106263,GGA+U,P-3,A2B7C6_hP30_147_2d_d2g_2g:Co-O-Rb,30.0,"Invalid WP multiplicities - A2B7C6_hP30_147_4d_2d9g_11g:Co-O-Rb, expected Rb33Co4O29 to be Rb6Co2O7" +mp-2233465,Rb4Mg(CoO3)2,-5.3566834946,-1.5552077871,0.1363416325,0.1363416325,GGA+U,P1,A2BC6D4_aP13_1_2a_a_6a_4a:Co-Mg-O-Rb,13.0,A2BC6D4_aP13_1_2a_a_6a_4a:Co-Mg-O-Rb +mp-2224736,Rb4Mg(CoO3)2,-5.1129783362,-1.3115026287,0.380046791,0.380046791,GGA+U,Cm,A2BC6D4_mC26_8_2a_a_2a2b_2b:Co-Mg-O-Rb,13.0,"Invalid WP multiplicities - A2BC6D4_mC26_8_2a_a_2a4b_4b:Co-Mg-O-Rb, expected Rb8Mg(CoO5)2 to be Rb4Mg(CoO3)2" +mp-795772,Rb5(CoO2)2,-1.721502465,1.815412153,3.1009937005,3.0672967226,GGA+U,P-1,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb,22.0,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb +mp-679788,Rb5(CoO2)2,-3.5454306568,-0.0085160389,1.2770655086,1.2433685308,GGA+U,P-1,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb,22.0,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb +mp-541389,Rb5(CoO2)2,-4.8224961655000005,-1.2855815475,0.0,-0.0336969778,GGA+U,P-1,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb,22.0,A2B4C5_aP22_2_2i_4i_5i:Co-O-Rb +mp-754787,SmTlO3,-6.7948263885,-2.4105673054,0.0731567521,0.0731567521,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Sm-Tl,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Sm-Tl, expected SmTlO7 to be SmTlO3" +mp-19480,SmTl(MoO4)2,-8.0677357188,-2.3722324528,0.0,-0.0264266398,GGA+U,Pbcn,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Sm-Tl,48.0,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Sm-Tl +mp-17006,SmTl(MoO4)2,-8.0575943242,-2.3620910582,0.0101413946,-0.0162852452,GGA+U,P4/nnc,A2B8CD_tP24_126_d_k_a_b:Mo-O-Sm-Tl,24.0,A2B8CD_tP24_126_d_k_a_b:Mo-O-Sm-Tl +mp-754933,SmTlO2,-6.866242175,-2.622590499,0.0992578383,0.0992578383,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Sm-Tl,4.0,A2BC_hR12_166_c_a_b:O-Sm-Tl +mp-755128,SmTlO2,-6.867066935,-2.623415259,0.0984330783,0.0984330783,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:O-Sm-Tl,8.0,A2BC_hP8_194_f_a_c:O-Sm-Tl +mp-1233510,MgAg20(BiO4)4,-4.3867217124,-0.6608588828,0.1162475476,0.1162475476,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1233648,MgAg20(BiO4)4,-4.4000076305,-0.6741448008,0.1029616295,0.1029616295,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1233999,MgAg20(BiO4)4,-4.398172051,-0.6723092213,0.104797209,0.104797209,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1234352,MgAg20(BiO4)4,-4.3988987261,-0.6730358964,0.1040705339,0.1040705339,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1234379,MgAg20(BiO4)4,-4.4031701071,-0.6773072774000001,0.0997991529,0.0997991529,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1234473,MgAg20(BiO4)4,-4.4281805295,-0.7023176998,0.0747887305,0.0747887305,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-1234997,MgAg20(BiO4)4,-4.4020122595,-0.6761494298,0.1009570005,0.1009570005,GGA,P1,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O,41.0,A20B4CD16_aP41_1_20a_4a_a_16a:Ag-Bi-Mg-O +mp-2217636,MgAg2(BiO3)2,-5.2948785145,-1.2379237342,0.2387909553,0.2387909553,GGA,Amm2,A2B2CD6_oC22_38_2b_d_a_2a2e:Ag-Bi-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_oC22_38_2b_d_a_2a4e:Ag-Bi-Mg-O, expected MgAg2(BiO5)2 to be MgAg2(BiO3)2" +mp-2227594,MgAg2(BiO3)2,-5.3630647073,-1.3061099269,0.1706047626,0.1706047626,GGA,Amm2,A2B2CD6_oC22_38_2a_e_a_2b2d:Ag-Bi-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_oC22_38_2a_e_a_2b4d:Ag-Bi-Mg-O, expected MgAg2(BiO5)2 to be MgAg2(BiO3)2" +mp-2218058,MgAg2(BiO3)2,-5.3850908482,-1.3281360678,0.1485786217,0.1485786217,GGA,R-3,A2B2CD6_hR33_148_c_c_a_f:Ag-Bi-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Ag-Bi-Mg-O +mp-2226914,MgAg2(BiO3)2,-5.4309107145,-1.3739559342,0.1027587553,0.1027587553,GGA,R-3,A2B2CD6_hR33_148_c_c_a_f:Ag-Bi-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Ag-Bi-Mg-O +mp-1044006,MgAgBiO5,-5.5239155044,-1.3980694119,0.0681478703,0.0681478703,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Ag-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Ag-Bi-Mg-O, expected MgAgBiO15 to be MgAgBiO5" +mp-1042404,MgAgBiO5,-5.4355338144,-1.3096877219,0.1565295603,0.1565295603,GGA,Pbca,ABCD5_oP64_61_c_c_c_5c:Ag-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Ag-Bi-Mg-O, expected MgAgBiO31 to be MgAgBiO5" +mp-672223,Na2Zn2(TeO3)3,-5.1924786709,-1.4978128029,0.22011252,0.22011252,GGA,P6_3/m,A2B9C3D2_hP32_176_e_hi_h_f:Na-O-Te-Zn,32.0,"Invalid WP multiplicities - A2B9C3D2_hP32_176_e_3h4i_h_f:Na-O-Te-Zn, expected Na2Zn2(TeO11)3 to be Na2Zn2(TeO3)3" +mp-1192887,CsEuSiS4,-6.2906909893,-1.5587593222,0.0,-0.0192381117,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Eu-S-Si,28.0,ABC4D_oP28_19_a_a_4a_a:Cs-Eu-S-Si +mp-22504,Eu2SiS4,-7.8905957886,-1.8212927746,0.0,-0.0121867779,GGA,P2_1/m,A2B4C_mP14_11_2e_2ef_e:Eu-S-Si,14.0,A2B4C_mP14_11_2e_2ef_e:Eu-S-Si +mp-22014,Sc2SiB2Ir5,-8.4314860085,-0.8673649403,0.0,-0.0995682457,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-Si,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-Si +mp-558965,Gd4Si2Se3O7,-10.1920314972,-3.1751764702,0.0011789227,0.0011789227,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Gd-O-Se-Si,64.0,"Invalid WP multiplicities - A4B7C3D2_tI128_141_6g5h_4e6h8i_2a2b4f_h:Gd-O-Se-Si, expected Gd11SiSe5O24 to be Gd4Si2Se3O7" +mp-17467,LiTiMnF6,-6.6825451244,-3.3008446822,0.0238419122,0.0238419122,GGA+U,P321,A6BCD_hP27_150_3g_ad_e_f:F-Li-Mn-Ti,27.0,"Invalid WP multiplicities - A6BCD_hP27_150_7g_ad_e_f:F-Li-Mn-Ti, expected LiTiMnF14 to be LiTiMnF6" +mp-1205773,SmSiRu2C,-8.164416488,-0.5801415405,0.0,-0.076870287,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Sm +mp-2217889,MgIn2(FeO3)2,-6.6951683282,-1.811184492,0.1911642882,0.1911642882,GGA+U,Cm,A2B2CD6_mC22_8_2a_2a_a_6a:Fe-In-Mg-O,11.0,A2B2CD6_mC22_8_2a_2a_a_6a:Fe-In-Mg-O +mp-2240460,MgIn(FeO2)2,-6.6358542238,-1.5010090931,0.4426301725,0.4426301725,GGA+U,R-3m,A2BCD4_hR24_166_c_a_b_2c:Fe-In-Mg-O,8.0,A2BCD4_hR24_166_c_a_b_2c:Fe-In-Mg-O +mp-1225830,Cu4Si(GeO4)3,-6.502300859,-1.7497262185,0.052915509,0.052915509,GGA,Pmm2,A4B3C12D_oP20_25_2e_bf_ace4f_d:Cu-Ge-O-Si,20.0,"Invalid WP multiplicities - A4B3C12D_oP20_25_4e_bf_ace8f_d:Cu-Ge-O-Si, expected Cu8SiGe3O20 to be Cu4Si(GeO4)3" +mp-978503,SmBeO3,-7.548032662,-2.8884196352,0.2843350662,0.2843350662,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Sm,5.0,AB3C_cP5_221_b_c_a:Be-O-Sm +mp-1208884,Sm2Be2SiO7,-8.2970095792,-3.5496648284,0.0,-0.0212307167,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Sm,24.0,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Sm +mp-1212574,GdAlGe2O7,-8.4667034707,-2.8581057653,0.0,-0.0085297342,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Al-Gd-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Al-Gd-Ge-O +mp-1097046,La2Sc2O5,-8.8228408406,-3.570574621,0.0914259409,0.0914259409,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:La-O-Sc,18.0,A2B5C2_oI36_46_c_b2c_ab:La-O-Sc +mp-1223059,La3ScAl8,-4.7285975025,-0.4698394142,0.0276617883,0.0276617883,GGA,R3m,A8B3C_hR36_160_2a2b_3a_a:Al-La-Sc,12.0,"Invalid WP multiplicities - A8B3C_hR36_160_2a6b_3a_a:Al-La-Sc, expected La3ScAl20 to be La3ScAl8" +mp-997587,La7ScAl8O24,-8.3930058435,-3.6537644798,0.0661233198,0.0661233198,GGA,Pm-3m,A8B7C24D_cP40_221_g_acd_ij_b:Al-La-O-Sc,40.0,"Invalid WP multiplicities - A8B7C24D_cP40_221_g_a2c2d_7i7j_b:Al-La-O-Sc, expected La13ScAl8O168 to be La7ScAl8O24" +mp-1178124,La3ScO6,-8.9478133825,-3.8657511138,0.0473654996,0.0473654996,GGA,Cmc2_1,A3B6C_oC40_36_ab_2a2b_a:La-O-Sc,20.0,"Invalid WP multiplicities - A3B6C_oC40_36_a2b_3a4b_a:La-O-Sc, expected La5ScO11 to be La3ScO6" +mp-752569,La3ScO6,-8.969955912,-3.8878936433,0.0252229701,0.0252229701,GGA,R-3,A3B6C_hR60_148_f_2f_ab:La-O-Sc,20.0,"Invalid WP multiplicities - A3B6C_hR60_148_f_7f_ab:La-O-Sc, expected La3ScO21 to be La3ScO6" +mp-31116,LaScO3,-9.173035223,-3.9513267542,0.0,-0.0291255095,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Sc,20.0,AB3C_oP20_62_c_cd_a:La-O-Sc +mp-1096800,LaScO3,-8.9689534,-3.7472449312,0.204081823,0.1749563135,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Sc,5.0,AB3C_cP5_221_a_c_b:La-O-Sc +mp-1110819,Rb2AgMoI6,-3.370828044,-0.9228808082,0.1202493304,0.1202493304,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-I-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-I-Mo-Rb +mp-1112754,Cs2KPrBr6,-3.925363599,-2.2253356564,0.0,-0.009299598,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Pr +mp-567652,Cs2LiYCl6,-4.614343772,-2.4886019036,0.0,-0.0016970143,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Li-Y +mp-1111046,Rb2TaAuF6,-5.610239746,-2.754079588,0.2832955976,0.2832955976,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ta +mp-1105583,Er7CoI12,-4.2942754785,-1.4561381952,0.0,-0.0876870959,GGA,R-3,AB7C12_hR60_148_a_bf_2f:Co-Er-I,20.0,AB7C12_hR60_148_a_bf_2f:Co-Er-I +mp-647152,CsEr13(CoI12)2,-4.2227487159,-1.4764193436,0.0063510237,0.0063510237,GGA,Pa-3,A2BC13D24_cP160_205_c_a_b2d_4d:Co-Cs-Er-I,160.0,"Invalid WP multiplicities - A2BC13D24_cP160_205_c_a_3b26d_67d:Co-Cs-Er-I, expected CsEr159(CoI201)2 to be CsEr13(CoI12)2" +mp-1194135,Cs3Er2I9,-3.5652784504,-1.7737111728,0.0,-0.0674412268,GGA,P6_3/mmc,A3B2C9_hP28_194_bf_f_hk:Cs-Er-I,28.0,A3B2C9_hP28_194_bf_f_hk:Cs-Er-I +mp-1222263,LuPaO4,-9.8441348067,-4.2070731358,0.0,-0.450252437,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Lu-O-Pa,6.0,AB4C_tP6_123_a_i_d:Lu-O-Pa +mp-1111888,Na3NbF6,-5.390191297,-2.8364158245,0.2051566362,0.2051566362,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Nb,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Nb +mp-1111091,Na2NbAgF6,-5.133910724,-2.4291321805,0.4508923453,0.4508923453,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Nb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Nb +mp-9753,Na2NbF6,-5.8906082989,-3.2000272509,0.0,-0.0841242479,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Na-Nb,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_f2j_e_a:F-Na-Nb, expected Na2NbF10 to be Na2NbF6" +mp-1228774,CsZnNiF6,-4.6040598311,-2.4480424459,0.0044828506,0.0044828506,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Ni-Zn,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Ni-Zn, expected CsZnNiF12 to be CsZnNiF6" +mp-17951,Cs4Zn3F10,-4.3648960244,-2.8075060248,0.0,-0.0917602021,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Cs-F-Zn,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_2f_e3fg_af:Cs-F-Zn, expected Cs4Zn3F12 to be Cs4Zn3F10" +mp-1391273,ZnNiF6,-4.2517372387,-1.9381429769,0.0,-0.0459115753,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Ni-Zn,8.0,A6BC_hR24_148_f_a_b:F-Ni-Zn +mp-1343278,ZnNiF5,-4.5117020443,-2.1406627404,0.0218874329,0.0218874329,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Ni-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Ni-Zn +mp-1410431,ZnNiF5,-4.5063678464,-2.1353285425,0.0272216307,0.0272216307,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Ni-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Ni-Zn, expected ZnNiF7 to be ZnNiF5" +mp-1407045,ZnNiF4,-4.756388275,-2.3087555817,0.1524197733,0.1524197733,GGA+U,P-1,A4BC_aP12_2_4i_ae_i:F-Ni-Zn,12.0,"Invalid WP multiplicities - A4BC_aP12_2_8i_ae_i:F-Ni-Zn, expected ZnNiF8 to be ZnNiF4" +mp-1147619,Li3YBr6,-4.203789504,-2.0526485347,0.025650272,0.025650272,GGA,C2/c,A6B3C_mC40_15_3f_ef_c:Br-Li-Y,20.0,"Invalid WP multiplicities - A6B3C_mC40_15_10f_2e3f_a:Br-Li-Y, expected Li8YBr20 to be Li3YBr6" +mp-1111737,Na2LiYBr6,-3.972174051,-1.9383125963,0.143496307,0.143496307,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Na-Y +mp-756424,GdLuO3,-10.642339261,-3.9549114822,0.0555969621,0.0555969621,GGA,Pnma,ABC3_oP20_62_c_a_cd:Gd-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Gd-Lu-O, expected GdLuO7 to be GdLuO3" +mp-755792,LuGaO3,-7.6441232365,-3.1663007013,0.0545423528,0.0514947572,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ga-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Ga-Lu-O, expected LuGaO7 to be LuGaO3" +mp-768505,LuGaO3,-7.6986655893,-3.2208430541,0.0,-0.0030475956,GGA,P6_3cm,ABC3_hP30_185_c_ab_ab2c:Ga-Lu-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_c_a2b_a3b11c:Ga-Lu-O, expected Lu5Ga3O40 to be LuGaO3" +mp-755342,LuGaO3,-7.67745922,-3.1996366847,0.0212063693,0.0181587737,GGA,P6_3/mmc,ABC3_hP10_194_c_a_bf:Ga-Lu-O,10.0,"Invalid WP multiplicities - ABC3_hP10_194_c_a_2b3f:Ga-Lu-O, expected LuGaO8 to be LuGaO3" +mp-1185488,LuGaO3,-7.231202088,-2.7533795528,0.4674635013,0.4644159057,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ga-Lu-O,5.0,ABC3_cP5_221_b_a_c:Ga-Lu-O +mp-14134,Lu3Ga5O12,-7.3942137034,-2.991033893,0.0,-0.0079615911,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Ga-Lu-O,80.0,A5B3C12_cI160_230_ad_c_h:Ga-Lu-O +mp-1185464,Lu2Ga2O5,-6.9937350811000005,-2.5680087876,0.5816604599,0.5816604599,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Ga-Lu-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Ga-Lu-O, expected Lu2Ga2O9 to be Lu2Ga2O5" +mp-1213450,Gd3Lu2(GaO4)3,-9.3751950403,-3.3894540221,0.0,-0.0126760467,GGA,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ga-Gd-Lu-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ga-Gd-Lu-O +mp-1111082,Na2AlCuF6,-5.096563677,-2.9006929878000003,0.1553780281,0.1553780281,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Na +mp-1112015,K2ScInBr6,-3.918436301,-1.8561242301,0.020903155,0.020903155,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Sc +mp-27303,NaAg3O2,-4.0001858517,-0.7145907307,0.0,-0.0295112446,GGA,Ibam,A3BC2_oI24_72_ce_b_j:Ag-Na-O,12.0,"Invalid WP multiplicities - A3BC2_oI24_72_c2e_b_j:Ag-Na-O, expected NaAg5O2 to be NaAg3O2" +mp-1186101,NaAgO3,-4.212660156,-0.4136306699,0.3953548442,0.3953548442,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ag-Na-O,5.0,ABC3_cP5_221_b_a_c:Ag-Na-O +mp-3527,Na3AgO2,-4.0524365967,-1.2701850456,0.0,-0.0271152088,GGA,Ibam,AB3C2_oI24_72_c_bf_j:Ag-Na-O,12.0,"Invalid WP multiplicities - AB3C2_oI24_72_c_2b3f_j:Ag-Na-O, expected Na8AgO2 to be Na3AgO2" +mp-1103169,NaAgO,-4.08052156,-1.046598224,0.0005816758,-0.0542103358,GGA,I-4m2,ABC_tI24_119_g_i_i:Ag-Na-O,12.0,ABC_tI24_139_h_i_j:Ag-Na-O +mp-6983,NaAgO,-4.0811032358,-1.0471798998,0.0,-0.0547920117,GGA,I4/mmm,ABC_tI24_139_h_i_j:Ag-Na-O,12.0,ABC_tI24_139_h_i_j:Ag-Na-O +mp-1008866,NaAgO,-3.7892678367,-0.7553445007,0.2918353992,0.2370433875,GGA,F-43m,ABC_cF12_216_a_b_c:Ag-Na-O,3.0,ABC_cF12_216_a_b_c:Ag-Na-O +mp-754326,NaAgO2,-4.5233465725,-1.0112318927,0.0,-0.1341854867,GGA,C2/m,ABC2_mC8_12_a_c_i:Ag-Na-O,4.0,ABC2_mC8_12_a_c_i:Ag-Na-O +mp-1210534,NaAgTe5O14,-5.6697218673,-1.4256622139,0.0,-0.0011327244,GGA,P2_1/c,ABC14D5_mP84_14_e_e_14e_ac4e:Ag-Na-O-Te,84.0,ABC14D5_mP84_14_e_e_14e_ac4e:Ag-Na-O-Te +mp-1205031,Na5Ag(TeO14)2,-4.7049476569,-0.4205288188,0.3977879169,0.3977879169,GGA,P-1,AB5C28D2_aP36_2_b_d2i_14i_i:Ag-Na-O-Te,36.0,AB5C28D2_aP36_2_b_d2i_14i_i:Ag-Na-O-Te +mp-1044106,CaAgBiO5,-5.6939447581,-1.5174336869,0.0672121344,0.0672121344,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Ag-Bi-Ca-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Ag-Bi-Ca-O, expected CaAgBiO15 to be CaAgBiO5" +mp-1042455,CaAgBiO5,-5.5361388347,-1.3596277635,0.2250180578,0.2250180578,GGA,Pbca,ABCD5_oP64_61_c_c_c_5c:Ag-Bi-Ca-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Ag-Bi-Ca-O, expected CaAgBiO31 to be CaAgBiO5" +mp-983598,Ca2AgBi,-3.298252245,-0.6271910217000001,0.0275101302,0.0275101302,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Bi-Ca,4.0,ABC2_cF16_225_a_b_c:Ag-Bi-Ca +mp-568664,CaAgBi,-3.468122815,-0.5752411439,0.0,-0.0439185636,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Bi-Ca,6.0,ABC_hP6_186_b_b_a:Ag-Bi-Ca +mp-1071876,CaAgBi,-3.422489345,-0.5296076739,0.04563347,0.0017149064,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-Bi-Ca,6.0,ABC_hP6_194_c_d_a:Ag-Bi-Ca +mp-1224914,GaSb3Pb4O13,-6.3544757219,-1.8510166139,0.0,-0.0037767445,GGA,R3m,AB13C4D3_hR63_160_a_a4b_ab_b:Ga-O-Pb-Sb,21.0,"Invalid WP multiplicities - AB13C4D3_hR63_160_a_a10b_ab_b:Ga-O-Pb-Sb, expected GaSb3Pb4O31 to be GaSb3Pb4O13" +mp-1217647,Ti8Mn3(B4Ru9)2,-8.9280717561,-0.522007921,0.0003925843,0.0003925843,GGA,Cmmm,A8B3C18D8_oC148_65_4p_2gi_hj8q_eg2i2p:B-Mn-Ru-Ti,74.0,"Invalid WP multiplicities - A8B3C18D8_oC148_65_6p_2gi_hj12q_eg2i3p:B-Mn-Ru-Ti, expected Ti10Mn3(B6Ru13)2 to be Ti8Mn3(B4Ru9)2" +mp-865469,Ti2MnRu,-9.06162773,-0.5047772636,0.0,-0.0059654219,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Ru-Ti +mp-1197511,Ti9Mn2(B4Ru9)2,-8.9304797046,-0.5586462284,0.0,-1.08168e-05,GGA,P4/mbm,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Mn-Ru-Ti,74.0,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Mn-Ru-Ti +mp-1215245,ZrTi(NiH3)2,-5.308834789,-0.4728525613,0.0016320495,0.0016320495,GGA,Amm2,A6B2CD_oC20_38_ab2c_ab_a_b:H-Ni-Ti-Zr,10.0,"Invalid WP multiplicities - A6B2CD_oC20_38_ab4c_ab_a_b:H-Ni-Ti-Zr, expected ZrTi(NiH5)2 to be ZrTi(NiH3)2" +mp-1215287,ZrTi(NiH)2,-6.199881465,-0.4017284489,0.1600509615,0.1600509615,GGA,Amm2,A2B2CD_oC12_38_ab_ab_a_b:H-Ni-Ti-Zr,6.0,A2B2CD_oC12_38_ab_ab_a_b:H-Ni-Ti-Zr +mp-690799,Zr(TiH2)2,-5.9889496036,-0.5732940545,0.0,-0.0278364212,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:H-Ti-Zr,14.0,A4B2C_cF56_227_e_c_b:H-Ti-Zr +mp-1071458,TiNiH,-6.02533129,-0.3358797094,0.1925232231,0.1925232231,GGA,Cmcm,ABC_oC12_63_c_c_c:H-Ni-Ti,6.0,ABC_oC12_63_c_c_c:H-Ni-Ti +mp-644259,Ti2NiH,-6.594573245,-0.3536115554,0.0754719641,0.0754719641,GGA,Fd-3m,ABC2_cF128_227_abc_e_df:H-Ni-Ti,32.0,ABC2_cF128_227_abc_e_df:H-Ni-Ti +mp-554139,Ba3Ga2(Ge2O7)2,-6.8577726022,-2.5291260699,0.0323157347,0.0323157347,GGA,P321,A3B2C4D14_hP23_150_e_d_af_d2g:Ba-Ga-Ge-O,23.0,"Invalid WP multiplicities - A3B2C4D14_hP23_150_e_d_af_2d7g:Ba-Ga-Ge-O, expected Ba3Ga2(Ge2O23)2 to be Ba3Ga2(Ge2O7)2" +mp-540585,BaGa2(GeO4)2,-6.826172924,-2.457347356,0.0,-0.0413484689,GGA,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ba-Ga-Ge-O,52.0,AB2C2D8_mP52_14_e_2e_2e_8e:Ba-Ga-Ge-O +mp-542459,BaGa2(GeO4)2,-6.8109061256,-2.4420805575,0.0152667985,-0.0260816704,GGA,C2/c,AB2C2D8_mC104_15_f_2f_2f_8f:Ba-Ga-Ge-O,52.0,AB2C2D8_mC104_15_f_2f_2f_8f:Ba-Ga-Ge-O +mp-1208423,TbCrGeO5,-8.2943748522,-2.8388892295,0.0017278173,0.0017278173,GGA+U,Pbam,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Tb,32.0,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Tb +mp-1105082,Tb(CrGe)6,-7.1364251031,-0.1909775608,0.0263945358,0.0263945358,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Cr-Ge-Tb,13.0,A6B6C_hP13_191_i_cde_a:Cr-Ge-Tb +mp-1217711,Tb2CrGe4,-5.8241964414,-0.4793548571,0.0934946757,0.0934946757,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Cr-Ge-Tb,7.0,AB4C2_oC14_38_a_2a2b_ab:Cr-Ge-Tb +mp-1049305,HoZn(SbO3)2,-6.6264183705,-2.2483896477,0.1545055584,0.1545055584,GGA,P1,AB6C2D_aP20_1_2a_12a_4a_2a:Ho-O-Sb-Zn,20.0,AB6C2D_aP20_1_2a_12a_4a_2a:Ho-O-Sb-Zn +mp-1211083,LuCu(MoO4)2,-8.0845580483,-2.26081079,0.0642524973,0.0642524973,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cu-Lu-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cu-Lu-Mo-O +mp-1206627,PrZn2AsO2,-4.3888389883,-0.7466908546000001,1.1701833758,1.1701833758,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:As-O-Pr-Zn,6.0,AB2CD2_tP6_123_a_g_b_g:As-O-Pr-Zn +mp-23709,Mg(AlH4)2,-3.4424575027,-0.1485265873,0.0342757255,0.0342757255,GGA,P-3m1,A2B8C_hP11_164_d_di_a:Al-H-Mg,11.0,"Invalid WP multiplicities - A2B8C_hP11_164_d_d2i_a:Al-H-Mg, expected Mg(AlH7)2 to be Mg(AlH4)2" +mp-1393463,Mg(AlH4)2,-3.42898364,-0.1350527245,0.0477495882,0.0477495882,GGA,P1,A2B8C_aP11_1_2a_8a_a:Al-H-Mg,11.0,"Invalid WP multiplicities - A2B8C_aP11_2_i_7i_a:Al-H-Mg, expected Mg(AlH7)2 to be Mg(AlH4)2" +mp-1185517,Mg(AlH4)2,-3.4364991264,-0.1425682109,0.0402341018,0.0402341018,GGA,P-1,A2B8C_aP11_2_i_4i_a:Al-H-Mg,11.0,"Invalid WP multiplicities - A2B8C_aP11_2_i_7i_a:Al-H-Mg, expected Mg(AlH7)2 to be Mg(AlH4)2" +mp-1028223,LiMg14Al,-1.7622607769,-0.0086095646,0.0367636117,0.0367636117,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Li-Mg, expected LiMg18Al to be LiMg14Al" +mp-1028208,LiMg14Al,-1.759432835,-0.0057816227,0.0395915536,0.0395915536,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Li-Mg, expected LiMg26Al to be LiMg14Al" +mp-1023399,LiMg6Al,-1.9135603206,-0.006537946,0.0577303075,0.0577303075,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Li-Mg, expected LiMg12Al to be LiMg6Al" +mp-1023320,LiMg6Al,-1.9149266294,-0.0079042548,0.0563639987,0.0563639987,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Li-Mg, expected LiMg12Al to be LiMg6Al" +mp-973924,Li(Mg4Al3)4,-2.5315765059,-0.0329450015,0.0044741386,0.0044741386,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-Li-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-Li-Mg, expected Li(Mg13Al10)2 to be Li(Mg4Al3)4" +mp-1185175,Li(Mg4Al3)4,-2.5314595428,-0.0328280384,0.0045911017,0.0045911017,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Li-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b6c:Al-Li-Mg, expected LiMg61Al39 to be Li(Mg4Al3)4" +mp-973970,Li(Mg4Al3)4,-2.5275877431,-0.0289562387,0.0084629013,0.0084629013,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Li-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c5g:Al-Li-Mg, expected Li(Mg19Al3)4 to be Li(Mg4Al3)4" +mp-1185672,Mg16Al12H,-2.5411272572,0.008669874,0.0490997297,0.0490997297,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-H-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-H-Mg, expected Mg26Al20H to be Mg16Al12H" +mp-571132,LiMg10AlH24,-3.1452879178,-0.2818789101,0.0120165072,0.0120165072,GGA,P2,AB24CD10_mP36_3_a_12e_a_a3b3e:Al-H-Li-Mg,36.0,"Invalid WP multiplicities - AB24CD10_mP36_3_a_22e_a_a3d5e:Al-H-Li-Mg, expected LiMg14AlH44 to be LiMg10AlH24" +mp-1180600,LiMg(AlH4)3,-3.4552693646,-0.19299625,0.0281085007,0.0281085007,GGA,P2_1/c,A3B12CD_mP68_14_3e_12e_e_e:Al-H-Li-Mg,68.0,A3B12CD_mP68_14_3e_12e_e_e:Al-H-Li-Mg +mp-1185468,LiMg17Al11,-2.4471673779,-0.0225115901,0.0149249321,0.0149249321,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-Li-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-Li-Mg, expected LiMg27Al19 to be LiMg17Al11" +mp-1104429,MgAlH5,-3.3820377507,-0.1949683071,0.0117497936,0.0117497936,GGA,C222_1,AB5C_oC28_20_a_b2c_a:Al-H-Mg,14.0,AB5C_oC28_20_a_b2c_a:Al-H-Mg +mp-1015814,LiMg2Al,-1.98507593,0.2286887692,0.3307471771,0.3307471771,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Li-Mg,4.0,ABC2_oI8_71_a_b_e:Al-Li-Mg +mp-1211149,LiAlH2,-3.0187051894,0.0912825073,0.4048127506,0.4048127506,GGA,I4_1/a,AB2C_tI32_88_c_f_d:Al-H-Li,16.0,AB2C_tI32_88_c_f_d:Al-H-Li +mp-1193498,LiMgAlH6,-3.36025759,-0.2923536993,0.0,-0.0131076141,GGA,P321,AB6CD_hP27_150_ad_3g_f_e:Al-H-Li-Mg,27.0,AB6CD_hP27_150_ad_3g_f_e:Al-H-Li-Mg +mp-27653,LiAlH4,-3.4628120688,-0.258578256,0.0130862101,0.0130862101,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Al-H-Li,24.0,AB4C_mP24_14_e_4e_e:Al-H-Li +mp-1180547,LiAlH4,-3.4540265225,-0.2497927097,0.0218717564,0.0218717564,GGA,C2/c,AB4C_mC24_15_e_2f_e:Al-H-Li,12.0,AB4C_mC24_15_e_2f_e:Al-H-Li +mp-1192061,LiAlH4,-3.4412510629,-0.2370172501,0.034647216,0.034647216,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-H-Li,24.0,AB4C_oP24_62_c_2cd_c:Al-H-Li +mp-976291,LiAlH4,-3.455463955,-0.2512301422,0.0204343239,0.0204343239,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Al-H-Li,12.0,AB4C_tI24_88_a_f_b:Al-H-Li +mp-31096,Li3AlH6,-3.359106362,-0.376236292,0.0,-0.022538308,GGA,R-3,AB6C3_hR60_148_ab_2f_f:Al-H-Li,20.0,"Invalid WP multiplicities - AB6C3_hR60_148_ab_3f_f:Al-H-Li, expected Li3AlH9 to be Li3AlH6" +mp-19358,SmMn2O5,-8.6013379716,-2.6293304371,0.0,-0.0624418358,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Sm,32.0,A2B5C_oP32_55_eg_fghi_h:Mn-O-Sm +mp-510488,SmMnSbO,-7.5247188513,-1.7856460067,0.0961649284,0.0961649284,GGA+U,P4/nmm,ABCD_tP8_129_a_b_c_c:Mn-O-Sb-Sm,8.0,ABCD_tP8_129_a_b_c_c:Mn-O-Sb-Sm +mp-22203,SmMnO3,-8.736108126,-2.9919746138,0.0,-0.0311843822,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Sm,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Sm +mp-1075973,SmMnO3,-8.536504286,-2.7923707738,0.19960384,0.1684194578,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Sm,5.0,AB3C_cP5_221_b_c_a:Mn-O-Sm +mp-1219206,Sm2MnSbO7,-8.1261172023,-2.912025404,0.0,-0.0024945324,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Mn-O-Sb-Sm,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Mn-O-Sb-Sm, expected Sm2MnSbO13 to be Sm2MnSbO7" +mp-756215,Sm2Mn2O7,-8.4895295777,-2.8178910475,0.0,-0.0277607651,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Sm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Mn-O-Sm, expected SmMnO10 to be Sm2Mn2O7" +mp-1206461,Sm2MnSb3,-2.80260909,2.3617561237,3.2485129842,3.2485129842,GGA,P4/mmm,AB3C2_tP6_123_a_bg_g:Mn-Sb-Sm,6.0,AB3C2_tP6_123_a_bg_g:Mn-Sb-Sm +mp-1076289,Sm2Mn2O5,-8.7219857456,-2.8892472555,0.1366416101,0.1366416101,GGA+U,Ima2,A2B5C2_oI36_46_ab_b2c_c:Mn-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Mn-O-Sm +mp-1208954,Sm2MnSb2O,-5.764011075,-0.4633646161,1.2134953581,1.2134953581,GGA+U,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Mn-O-Sb-Sm,6.0,ABC2D2_tP6_123_a_b_g_g:Mn-O-Sb-Sm +mp-2229065,MgMn4In2O10,-7.4613642035,-1.9779173923,0.1666020916,0.1666020916,GGA+U,C2/m,A2BC4D10_mC34_12_i_a_2i_5i:In-Mg-Mn-O,17.0,"Invalid WP multiplicities - A2BC4D10_mC34_12_i_a_3i_9i:In-Mg-Mn-O, expected MgMn6In2O18 to be MgMn4In2O10" +mp-2229397,MgMn4In2O10,-7.43592598,-1.9524791688,0.1920403151,0.1920403151,GGA+U,Amm2,A2BC4D10_oC34_38_ab_a_2c_ab4c:In-Mg-Mn-O,17.0,"Invalid WP multiplicities - A2BC4D10_oC34_38_ab_a_2c_ab6c:In-Mg-Mn-O, expected MgMn4In2O14 to be MgMn4In2O10" +mp-662535,PbSe2O5,-5.7934994809,-1.3637602832,0.0,-0.0203257366,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Pb-Se,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_18e_e_3e:O-Pb-Se, expected Pb(SeO6)3 to be PbSe2O5" +mp-20716,PbSeO3,-5.866225149,-1.4565002127,0.0,-0.0511982972,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:O-Pb-Se,10.0,A3BC_mP10_11_ef_e_e:O-Pb-Se +mp-630329,PbSeO3,-5.8631315865,-1.4534066502,0.0030935625,-0.0481047347,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-Pb-Se,40.0,"Invalid WP multiplicities - A3BC_mP40_14_21e_5e_5e:O-Pb-Se, expected Pb5Se5O21 to be PbSeO3" +mp-22342,PbSeO4,-5.9039258492,-1.4047069504,0.0,-0.1421512967,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pb-Se,24.0,A4BC_mP24_14_4e_e_e:O-Pb-Se +mp-1224708,Fe2Pb(SeO3)4,-6.3846965126,-1.4375070423,0.0,-0.0327341966,GGA+U,P1,A2B12CD4_aP19_1_2a_12a_a_4a:Fe-O-Pb-Se,38.0,"Invalid WP multiplicities - A2B12CD4_aP19_1_4a_12a_a_4a:Fe-O-Pb-Se, expected Fe4Pb(SeO3)4 to be Fe2Pb(SeO3)4" +mp-510293,Pb3SeO5,-5.8532977333,-1.4791537062,0.0,-0.0167813085,GGA,Cmc2_1,A5B3C_oC36_36_a2b_ab_a:O-Pb-Se,18.0,A5B3C_oC36_36_a2b_ab_a:O-Pb-Se +mp-558163,Pb(SeO3)2,-5.7370871617,-1.2499091291,0.0715594278,0.0715594278,GGA,P2_1/c,A6BC2_mP18_14_3e_a_e:O-Pb-Se,18.0,"Invalid WP multiplicities - A6BC2_mP18_14_6e_a_e:O-Pb-Se, expected Pb(SeO6)2 to be Pb(SeO3)2" +mp-1201603,Pb(SeO3)2,-5.6516218139,-1.1644437814,0.1570247756,0.1570247756,GGA,Pbcn,A6BC2_oP36_60_3d_c_d:O-Pb-Se,36.0,A6BC2_oP36_60_3d_c_d:O-Pb-Se +mp-1215743,ZnGaFeO4,-6.6055311861,-1.9563003736,0.0054181761,0.0054181761,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Fe-Ga-O-Zn,28.0,ABC4D_oI28_74_a_c_hi_e:Fe-Ga-O-Zn +mp-971733,ZnGaO3,-4.974319698,-1.1487385448,0.7339474211,0.7339474211,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Zn,5.0,AB3C_cP5_221_b_c_a:Ga-O-Zn +mp-5794,Zn(GaO2)2,-6.0494970914,-2.1776841629,0.0,-0.0445597707,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ga-O-Zn,14.0,A2B4C_cF56_227_c_e_b:Ga-O-Zn +mp-3315,CaPd3O4,-6.18148704,-1.5149870206,0.0,-0.0954762219,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Ca-O-Pd,16.0,AB4C3_cP16_223_a_e_c:Ca-O-Pd +mp-1105917,CaTi4(PdO4)3,-8.023738197,-2.5993643014,0.108122257,0.108122257,GGA,Im-3,AB12C3D4_cI40_204_a_g_b_c:Ca-O-Pd-Ti,20.0,AB12C3D4_cI40_204_a_g_b_c:Ca-O-Pd-Ti +mp-760414,Ti3PdO,-8.217818204,-1.4552088898,0.0,-0.014848669,GGA,I4/mcm,ABC3_tI20_140_c_b_ah:O-Pd-Ti,10.0,"Invalid WP multiplicities - ABC3_tI20_140_c_b_2a2h:O-Pd-Ti, expected Ti6PdO to be Ti3PdO" +mp-10299,Ca4PdO6,-6.5743308082,-2.6759295720000003,0.0,-0.0724414714,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ca-O-Pd,22.0,A4B6C_hR66_167_ae_f_b:Ca-O-Pd +mp-562057,Cs2Ca2Be3F12,-5.8117856803,-3.7087335377,0.0,-0.0154043314,GGA,P2_13,A3B2C2D12_cP76_198_b_2a_2a_4b:Be-Ca-Cs-F,76.0,"Invalid WP multiplicities - A3B2C2D12_cP76_198_b_3a_3a_38b:Be-Ca-Cs-F, expected CsCaBeF38 to be Cs2Ca2Be3F12" +mp-542754,Tb2Si5Os3,-7.7078892172,-0.7001467532,0.0,-0.0585261005,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Os-Si-Tb,40.0,"Invalid WP multiplicities - A3B5C2_tP40_128_4d4h_3e4g6h_h:Os-Si-Tb, expected Tb2Si23Os12 to be Tb2Si5Os3" +mp-5429,Tb(SiOs)2,-8.314173142,-0.726225738,0.0,-0.1320158975,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Os-Si-Tb +mp-1206183,TbSiOs2C,-8.862540664,-0.5139237675,0.0,-0.0600268828,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Tb +mp-541859,Tb12(OsC3)5,-8.1585404569,-0.3404400588,0.0,-0.0679228161,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Tb,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Tb +mp-1110998,Na2LiAsF6,-4.77300409,-2.7048075236,0.0945973653,0.0945973653,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Li-Na +mp-1111350,NaLi2AsF6,-4.6407765340000005,-2.5139402103,0.3309508873,0.3309508873,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-Li-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-Li-Na +mp-1211105,Li3AsF6,-4.869391714,-2.683915633,0.2064616732,0.2064616732,GGA,P-1,AB6C3_aP10_2_a_3i_bce:As-F-Li,10.0,AB6C3_aP10_2_a_3i_bce:As-F-Li +mp-1239084,Li3AsF6,-4.91006425,-2.724588169,0.1657891372,0.1657891372,GGA,P-1,AB6C3_aP10_2_b_3i_ach:As-F-Li,10.0,AB6C3_aP10_2_b_3i_ach:As-F-Li +mp-1111074,Li3AsF6,-4.777770099,-2.592294018,0.2980832882,0.2980832882,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-F-Li,10.0,AB6C3_cF40_225_a_e_bc:As-F-Li +mp-9144,LiAsF6,-4.9507464825,-2.6961320979,0.0,-0.1113759094,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-Li,8.0,AB6C_hR24_148_a_f_b:As-F-Li +mp-1218802,SrCa2Lu10O18,-8.4016523592,-3.8871170297,0.066804629,0.066804629,GGA,P1,A2B10C18D_aP62_1_4a_20a_36a_2a:Ca-Lu-O-Sr,62.0,A2B10C18D_aP62_1_4a_20a_36a_2a:Ca-Lu-O-Sr +mp-1209065,SrCa3Lu9O18,-8.2103267613,-3.776931775,0.0640451083,0.0640451083,GGA,P6_3,A3B9C18D_hP62_173_c_3c_6c_b:Ca-Lu-O-Sr,62.0,A3B9C18D_hP62_173_c_3c_6c_b:Ca-Lu-O-Sr +mp-1209325,RbFeAgF6,-4.99496718,-2.3558577255,0.00322479,0.00322479,GGA+U,Pnma,AB6CD_oP36_62_c_2c2d_a_c:Ag-F-Fe-Rb,36.0,AB6CD_oP36_62_c_2c2d_a_c:Ag-F-Fe-Rb +mp-1207743,TmTa5Ag2O15,-9.2363868896,-2.9915970527,0.0602435146,0.0602435146,GGA,P4/mbm,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Tm,46.0,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Tm +mp-1111186,Na2CrHgF6,-4.872943428,-2.4658782053,0.2740471677,0.2740471677,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-Na +mp-1213854,Cs2Mn2Be3F12,-5.9894250957,-3.1330660676,0.1636472658,0.1636472658,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cs-F-Mn,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cs-F-Mn +mp-1112586,Cs2AlInF6,-5.139498892,-3.1638050811,0.0115527746,0.0115527746,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-In,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-In +mp-1212982,Eu2NiPtO6,-8.3633650915,-2.1588245047,0.0309944527,0.0309944527,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Ni-O-Pt,20.0,A2BC6D_mP20_14_e_a_3e_b:Eu-Ni-O-Pt +mp-1097890,Eu2Ni2O5,-8.47982421,-2.1678552637,0.1433378643,0.1433378643,GGA+U,Cm,A2B2C5_mC36_8_2b_2ab_2a4b:Eu-Ni-O,18.0,"Invalid WP multiplicities - A2B2C5_mC36_8_3b_2ab_2a6b:Eu-Ni-O, expected Eu3Ni2O7 to be Eu2Ni2O5" +mp-1076223,Eu2Ni2O5,-8.3788623261,-2.0668933799,0.2442997482,0.2442997482,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:Eu-Ni-O,18.0,A2B2C5_oI36_46_c_ab_b2c:Eu-Ni-O +mp-1178384,Eu2NiO4,-9.1137277793,-2.5307427614,0.0925851327,0.0925851327,GGA+U,Cmce,A2BC4_oC28_64_f_a_ef:Eu-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_64_f_a_2ef:Eu-Ni-O, expected Eu2NiO6 to be Eu2NiO4" +mp-770352,Eu2NiO4,-9.11690922,-2.5339242021,0.089403692,0.089403692,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:Eu-Ni-O,7.0,A2BC4_tI14_139_e_a_ce:Eu-Ni-O +mp-20718,EuNiO3,-8.257220939,-2.0817800163,0.0,-0.0003721357,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Eu-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Eu-Ni-O +mp-977412,EuNiO3,-8.185839854,-2.0103989312,0.071381085,0.0710089493,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Ni-O,5.0,ABC3_cP5_221_a_b_c:Eu-Ni-O +mp-1191889,Eu2Pt2O7,-8.2071574741,-2.0905128178,0.0,-0.1368255197,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Pt,22.0,A2B7C2_cF88_227_c_af_d:Eu-O-Pt +mp-976258,EuPtO3,-7.98383244,-1.7501921893,0.3726271946,0.3726271946,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Pt,5.0,AB3C_cP5_221_a_c_b:Eu-O-Pt +mp-1210395,SmNb6Cl13O3,-6.6461130197,-2.1157887115,0.0,-0.0265495443,GGA,I4_122,A13B6C3D_tI184_98_cdf5g_3g_cg_c:Cl-Nb-O-Sm,92.0,A13B6C3D_tI184_98_cdf5g_3g_cg_c:Cl-Nb-O-Sm +mp-1016621,Mg6CrB,-2.7689947687,0.4727701739,0.6153537173,0.6153537173,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Cr-Mg, expected Mg12CrB to be Mg6CrB" +mp-1016662,Mg6CrB,-3.027633205,0.2141317376,0.3567152811,0.3567152811,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Cr-Mg, expected Mg12CrB to be Mg6CrB" +mp-1026516,Mg14CrB,-2.1801718787,0.2408506176,0.3189537756,0.3189537756,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Cr-Mg, expected Mg18CrB to be Mg14CrB" +mp-1026505,Mg14CrB,-2.1779154387,0.2431070576,0.3212102156,0.3212102156,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Cr-Mg, expected Mg26CrB to be Mg14CrB" +mp-1188995,Cr2B2Ir,-8.682217662,-0.3815551297,0.0572398454,0.0572398454,GGA,Pnnm,A2B2C_oP20_58_2g_2g_g:B-Cr-Ir,20.0,A2B2C_oP20_58_2g_2g_g:B-Cr-Ir +mp-569911,Cr2B2Ir,-8.6790727825,-0.3784102502,0.0603847249,0.0603847249,GGA,Cmcm,A2B2C_oC40_63_2f_2cf_f:B-Cr-Ir,20.0,"Invalid WP multiplicities - A2B2C_oC40_63_4f_2c2f_f:B-Cr-Ir, expected Cr3B4Ir to be Cr2B2Ir" +mp-1189317,Mg2CrB2Ir5,-7.4446555775,-0.4041993763,0.0,-0.0067104193,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Cr-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Cr-Ir-Mg +mp-1373332,MgSbF5,-5.3277582711,-3.1439473957,0.0330054304,0.0330054304,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Sb,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Sb +mp-1404190,MgSbF5,-5.23529534,-3.0514844646,0.1254683614,0.1254683614,GGA,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-Sb,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_a:F-Mg-Sb, expected MgSbF7 to be MgSbF5" +mp-1210686,MgSb2F12,-4.9156646773,-2.729262668,0.096868337,0.096868337,GGA,P-4m2,A12BC2_tP15_115_2gl_a_g:F-Mg-Sb,15.0,"Invalid WP multiplicities - A12BC2_tP15_115_2g2l_a_g:F-Mg-Sb, expected MgSb2F20 to be MgSb2F12" +mp-1397377,MgSbF6,-5.168971,-3.0192016131,0.079537972,0.079537972,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Sb,8.0,A6BC_hR24_148_f_a_b:F-Mg-Sb +mp-1195096,MgSb3XeF23,-4.3809154819,-2.3099342607,0.0,-0.030377842,GGA,P2_1/c,A23BC3D_mP112_14_23e_ad_3e_e:F-Mg-Sb-Xe,112.0,A23BC3D_mP112_14_23e_ad_3e_e:F-Mg-Sb-Xe +mp-1205599,NdEu2TaO6,-10.032691849,-3.350685756,0.1362532684,0.1362532684,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nd-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nd-O-Ta +mp-5965,Tb3Ga5O12,-7.3908836136,-2.9706914663,0.0,-0.0452487786,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Tb,80.0,A5B12C3_cI160_230_ad_h_c:Ga-O-Tb +mp-31112,Tb3GaO6,-8.242257989,-3.58112533,0.0,-0.0022426681,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Tb,20.0,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Tb +mp-756290,TbGaO3,-7.6274943385,-3.1269886872,0.0471807336,0.0471807336,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ga-O-Tb, expected TbGaO7 to be TbGaO3" +mp-1101339,TbGaO3,-7.568390402,-3.0678847507,0.1062846701,0.1062846701,GGA,R-3c,AB3C_hR30_167_b_e_a:Ga-O-Tb,10.0,AB3C_hR30_167_b_e_a:Ga-O-Tb +mp-1208375,TbGaGe2O7,-7.2911332882,-2.6061024872000003,0.0065887203,0.0065887203,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Tb,44.0,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Tb +mp-1212333,Ho2MgTiO6,-8.544737785,-3.7106655776,0.016240227,0.016240227,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ho-Mg-O-Ti,20.0,A2BC6D_mP20_14_e_a_3e_b:Ho-Mg-O-Ti +mp-2224439,Ho4MgTi2O10,-8.5518761929,-3.5408299179,0.1802523287,0.1802523287,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ho-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ho-Mg-O-Ti +mp-2229100,Ho4MgTi2O10,-8.5049937182,-3.4939474432,0.2271348035,0.2271348035,GGA,P-1,A4BC10D2_aP17_2_2i_a_5i_bc:Ho-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_aP17_2_3i_a_9i_bc:Ho-Mg-O-Ti, expected Ho6MgTi2O18 to be Ho4MgTi2O10" +mp-2229001,Ho4MgTi2O10,-8.5411845888,-3.5301383138,0.1909439329,0.1909439329,GGA,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Ho-Mg-O-Ti,17.0,A4BC10D2_mP17_6_2c_a_ab4c_ab:Ho-Mg-O-Ti +mp-2229496,Ho4MgTi2O10,-8.5247758259,-3.5137295508,0.2073526958,0.2073526958,GGA,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Ho-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_mC34_12_4i_a_9i_i:Ho-Mg-O-Ti, expected Ho8MgTi2O18 to be Ho4MgTi2O10" +mp-1044908,HoMgTi2O6,-8.6412756815,-3.4758951594,0.057881963,0.057881963,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ho-Mg-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ho-Mg-O-Ti, expected HoMgTi2O12 to be HoMgTi2O6" +mp-667315,ScNb6Cl13O3,-6.7054562473,-2.1049631143,0.0,-0.0336960728,GGA,I4_122,A13B6C3D_tI184_98_cdf5g_3g_cg_c:Cl-Nb-O-Sc,92.0,"Invalid WP multiplicities - A13B6C3D_tI184_98_4c4d4f36g_21g_3c4g_c:Cl-Nb-O-Sc, expected ScNb42Cl84O11 to be ScNb6Cl13O3" +mp-769152,Sc(ClO4)3,-5.3465405831,-0.8941441069,0.0,-0.0177672838,GGA,R3c,A3B12C_hR96_161_b_4b_a:Cl-O-Sc,32.0,"Invalid WP multiplicities - A3B12C_hR96_161_b_21b_a:Cl-O-Sc, expected Sc(ClO21)3 to be Sc(ClO4)3" +mp-769148,Sc(ClO4)3,-5.3112324228,-0.8588359466000001,0.0353081603,0.0175408765,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Sc,32.0,"Invalid WP multiplicities - A3B12C_hP32_176_h_11h6i_c:Cl-O-Sc, expected Sc(ClO23)3 to be Sc(ClO4)3" +mp-989195,ScClO,-7.655044575,-3.2791464163,0.0721700287,0.0721700287,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Sc,6.0,ABC_tP6_129_c_a_c:Cl-O-Sc +mp-990436,ScClO,-6.958612175,-2.5827140162,0.7686024288000001,0.7686024288000001,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-O-Sc,6.0,ABC_tP6_129_a_c_c:Cl-O-Sc +mp-1207553,YbTl(MoO4)2,-7.531675474,-2.1010870292,0.1286768981,0.1286768981,GGA+U,Pnma,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Yb,,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Yb +mp-22804,Na3In2(AsO4)3,-6.1217847175,-1.981356563,0.0,-0.0330092835,GGA,C2/c,A3B2C3D12_mC80_15_ef_f_a2e_6f:As-In-Na-O,40.0,"Invalid WP multiplicities - A3B2C3D12_mC80_15_2e3f_f_2a3e_23f:As-In-Na-O, expected Na5In2(As4O23)2 to be Na3In2(AsO4)3" +mp-8840,Na5InO4,-4.5961075925,-1.6810010883,0.0032193965,-0.018690338,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:In-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_b2g_2ef:In-Na-O, expected Na9InO6 to be Na5InO4" +mp-14493,Na5InO4,-4.599326989,-1.6842204848,0.0,-0.0219097345,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:In-Na-O,80.0,AB5C4_oP80_61_c_5c_4c:In-Na-O +mp-5175,NaInO2,-5.4781020925,-1.986205481,0.0,-0.145181854,GGA,R-3m,ABC2_hR12_166_a_b_c:In-Na-O,4.0,ABC2_hR12_166_a_b_c:In-Na-O +mp-676765,Na21In5O15,-4.307000348,-1.4842739948,0.0686593556,0.0686593556,GGA,Cm,A5B21C15_mC82_8_3ab_3a9b_3a6b:In-Na-O,41.0,"Invalid WP multiplicities - A5B21C15_mC82_8_3ab_3a18b_3a12b:In-Na-O, expected Na39In5O27 to be Na21In5O15" +mp-559710,NaInAs2O7,-6.2623591466,-1.8969712546,0.0,-0.0479683175,GGA,C2/c,A2BCD7_mC88_15_2f_f_f_7f:As-In-Na-O,44.0,"Invalid WP multiplicities - A2BCD7_mC88_15_3f_f_f_24f:As-In-Na-O, expected NaIn(AsO8)3 to be NaInAs2O7" +mp-559023,Na24In5O15,-4.1761500027,-1.4557100854,0.0032009882,0.0032009882,GGA,I-43m,A5B24C15_cI88_217_ac_2g_bg:In-Na-O,44.0,"Invalid WP multiplicities - A5B24C15_cI88_217_a2c_7g_2b2g:In-Na-O, expected Na28In3O10 to be Na24In5O15" +mp-532091,Na26In4O19,-4.4671293151,-1.622650171,0.0165224282,0.0165224282,GGA,Cc,A4B26C19_mC196_9_4a_26a_19a:In-Na-O,98.0,"Invalid WP multiplicities - A4B26C19_mC196_9_7a_52a_38a:In-Na-O, expected Na52In7O38 to be Na26In4O19" +mp-758513,Na22In5O15,-4.2767262579,-1.4897189775,0.0303811969,0.0303811969,GGA,Cm,A5B22C15_mC84_8_3ab_4a9b_3a6b:In-Na-O,42.0,"Invalid WP multiplicities - A5B22C15_mC84_8_3ab_4a11b_3a7b:In-Na-O, expected Na26In5O17 to be Na22In5O15" +mp-1186138,NaInO3,-4.962980384,-1.1801253526,0.4088390322,0.4088390322,GGA,Pm-3m,ABC3_cP5_221_b_a_c:In-Na-O,5.0,ABC3_cP5_221_b_a_c:In-Na-O +mp-1224006,HoCuPbS3,-5.4859388433,-1.3520034749,0.0,-0.0077374642,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cu-Ho-Pb-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Cu-Ho-Pb-S, expected HoCuPbS4 to be HoCuPbS3" +mp-1225863,Ho20Cu6(Pb3S14)3,-5.9578840929,-1.7580381778,0.0126296552,0.0126296552,GGA,P1,A6B20C9D42_aP77_1_6a_20a_9a_42a:Cu-Ho-Pb-S,77.0,A6B20C9D42_aP77_1_6a_20a_9a_42a:Cu-Ho-Pb-S +mp-643460,SnHg2(SBr)2,-3.0227996025,-0.7376726055,0.0,-0.0100720401,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn,28.0,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn +mp-622273,SnHg2(SBr)2,-2.9566789086,-0.6715519116,0.0661206939,0.0560486538,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn,28.0,"Invalid WP multiplicities - A2B2C2D_mP28_14_5e_4e_5e_e:Br-Hg-S-Sn, expected SnHg4(SBr)5 to be SnHg2(SBr)2" +mp-554096,SnHg2(SBr)2,-2.9765753164,-0.6914483195000001,0.0462242861,0.036152246,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn,28.0,"Invalid WP multiplicities - A2B2C2D_mP28_14_3e_6e_6e_e:Br-Hg-S-Sn, expected SnHg6(S2Br)3 to be SnHg2(SBr)2" +mp-1194529,SnHg2(SBr)2,-2.8956335382,-0.6105065413,0.1271660643,0.1170940242,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn,28.0,A2B2C2D_mP28_14_2e_2e_2e_e:Br-Hg-S-Sn +mp-674324,Sn7(SBr5)2,-3.7345944879,-1.0045846974,0.0814702955,0.0814702955,GGA,P1,A10B2C7_aP19_1_10a_2a_7a:Br-S-Sn,19.0,A10B2C7_aP19_1_10a_2a_7a:Br-S-Sn +mp-1213112,ErAlGeO5,-7.9025841269,-3.1938633705,0.0,-0.0081595598,GGA,Pbam,ABCD5_oP32_55_e_g_h_fghi:Al-Er-Ge-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Al-Er-Ge-O +mp-1223852,InGa(AgS2)2,-4.2168558738,-0.7180194704,0.0010197419,0.0010197419,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-S,8.0,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-S +mp-556916,GaAgS2,-4.2910744575,-0.7576865176,0.0026334225,-0.069687705,GGA,Cc,ABC2_mC16_9_a_a_2a:Ag-Ga-S,8.0,"Invalid WP multiplicities - ABC2_mC16_9_a_a_4a:Ag-Ga-S, expected GaAgS4 to be GaAgS2" +mp-5342,GaAgS2,-4.29370788,-0.7603199401,0.0,-0.0723211275,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Ga-S,8.0,ABC2_tI16_122_a_b_d:Ag-Ga-S +mp-1096972,GaAgS2,-4.11546605,-0.5820781101,0.17824183,0.1059207025,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Ga-S,4.0,ABC2_hR12_160_a_a_2a:Ag-Ga-S +mp-556528,In4GeS4,-4.2559223017,-0.6808598303000001,0.0,-0.0205083567,GGA,Pa-3,AB4C4_cP72_205_c_cd_cd:Ge-In-S,72.0,"Invalid WP multiplicities - AB4C4_cP72_205_c_6c7d_5c5d:Ge-In-S, expected In27GeS20 to be In4GeS4" +mp-560386,In2Ag2GeS6,-4.3541625364,-0.6623255797000001,0.011679044,0.011679044,GGA,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:Ag-Ge-In-S,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_9_3a_a_3a_10a:Ag-Ge-In-S, expected In3Ag3GeS10 to be In2Ag2GeS6" +mp-1192998,In2Ag2GeS6,-4.07841462,-0.3865776634,0.2874269604,0.2874269604,GGA,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:Ag-Ge-In-S,22.0,A2BC2D6_mC44_9_2a_a_2a_6a:Ag-Ge-In-S +mp-1080743,Er2CuGe6,-4.9408123411,-0.3882777389,0.0508449757,0.0508449757,GGA,Amm2,AB2C6_oC18_38_a_2b_4a2b:Cu-Er-Ge,9.0,AB2C6_oC18_38_a_2b_4a2b:Cu-Er-Ge +mp-5083,Er(CuGe)2,-4.877133444,-0.474695872,0.0,-0.0173167638,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Er-Ge,5.0,A2BC2_tI10_139_d_a_e:Cu-Er-Ge +mp-1225563,ErCuGe,-4.7815823733,-0.3515979283,0.332240605,0.2705322166,GGA,P-3m1,ABC_hP6_164_d_c_d:Cu-Er-Ge,6.0,ABC_hP6_164_d_c_d:Cu-Er-Ge +mp-9390,ErCuGe,-5.1138229783,-0.6838385333,0.0,-0.0617083884,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Er-Ge,6.0,ABC_hP6_186_b_a_b:Cu-Er-Ge +mp-1225551,ErCuGe,-5.0635362833,-0.6335518383000001,0.050286695,-0.0114216934,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Er-Ge,3.0,ABC_hP3_187_a_d_e:Cu-Er-Ge +mp-555081,Er3CuGeS7,-5.987441995,-1.7057303264,0.0,-0.0007996896,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Cu-Er-Ge-S,24.0,"Invalid WP multiplicities - AB3CD7_hP24_173_a_c_b_2b9c:Cu-Er-Ge-S, expected Er3CuGeS29 to be Er3CuGeS7" +mp-567621,Er3(CuGe)4,-5.0397784173,-0.6223152782,0.0,-0.0335415909,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Er-Ge,11.0,"Invalid WP multiplicities - A4B3C4_oI22_71_n_af_e2h:Cu-Er-Ge, expected Er3(Cu2Ge3)2 to be Er3(CuGe)4" +mp-1225862,Er4CuGe8,-5.1356065515,-0.5698908015,0.0099002983,0.0099002983,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cu-Er-Ge,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Cu-Er-Ge +mp-14025,Zr2CuS4,-6.9874831393,-1.5959963682,0.0,-0.0035154379,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cu-S-Zr,14.0,AB4C2_cF56_227_a_e_d:Cu-S-Zr +mp-1215370,Zr4CuS8,-7.2058723962,-1.7149794635000002,0.0,-0.0022396119,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Cu-S-Zr,13.0,AB8C4_cF52_216_a_2e_e:Cu-S-Zr +mp-1239220,ZrCrCuS4,-6.5568549521,-1.0074614896,0.2513510596,0.2513510596,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Zr,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Zr +mp-1239126,ZrCrCuS4,-6.5653102604,-1.0159167979,0.2428957514,0.2428957514,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Cu-S-Zr,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Cu-S-Zr +mp-1239125,ZrCrCuS4,-6.7350019014,-1.1856084389,0.0732041104,0.0732041104,GGA,P2,ABC4D_mP14_3_ab_2c_4e_ab:Cr-Cu-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mP14_3_bc_2a_8e_bc:Cr-Cu-S-Zr, expected ZrCrCuS8 to be ZrCrCuS4" +mp-1239224,ZrCrCuS4,-6.6596737996,-1.1102803371,0.1485322121,0.1485322121,GGA,Pm,ABC4D_mP28_6_3ab_2a2b_8a8b_a3b:Cr-Cu-S-Zr,28.0,ABC4D_mP28_6_3ab_2a2b_8a8b_a3b:Cr-Cu-S-Zr +mp-1239122,ZrCrCuS4,-6.7306066629,-1.1812132004,0.0775993489,0.0775993489,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Cr-Cu-S-Zr,7.0,ABC4D_mC14_8_a_a_4a_a:Cr-Cu-S-Zr +mp-1239124,ZrCrCuS4,-6.7432319793,-1.1938385168,0.0649740325,0.0649740325,GGA,P2/m,ABC4D_mP7_10_b_e_mn_c:Cr-Cu-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mP7_10_c_d_2mn_b:Cr-Cu-S-Zr, expected ZrCrCuS6 to be ZrCrCuS4" +mp-1239275,ZrCrCuS4,-6.7354391221,-1.1860456596,0.0727668896,0.0727668896,GGA,P2/m,ABC4D_mP14_10_m_ce_2m2n_n:Cr-Cu-S-Zr,14.0,ABC4D_mP14_10_m_ae_2m2n_n:Cr-Cu-S-Zr +mp-1239128,ZrCrCuS4,-6.8056227571,-1.2562292946,0.0025832546,0.0025832546,GGA,I2_12_12_1,ABC4D_oI28_24_a_b_2d_c:Cr-Cu-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_oI28_24_a_b_8d_c:Cr-Cu-S-Zr, expected ZrCrCuS16 to be ZrCrCuS4" +mp-1239256,ZrCrCuS4,-6.5734391304,-1.0240456679,0.2347668814,0.2347668814,GGA,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Cr-Cu-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_26_2a_a2b_7a5b_2b:Cr-Cu-S-Zr, expected Zr2Cr2(CuS4)3 to be ZrCrCuS4" +mp-1239137,ZrCrCuS4,-6.5815499832,-1.0321565207,0.2266560286,0.2266560286,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Cr-Cu-S-Zr,56.0,ABC4D_oP56_29_2a_2a_8a_2a:Cr-Cu-S-Zr +mp-1239236,ZrCrCuS4,-6.4715198571,-0.9221263946,0.3366861546,0.3366861546,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_4a2b_2a:Cr-Cu-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_2a_4a_8a7b_2a:Cr-Cu-S-Zr, expected ZrCrCu2S11 to be ZrCrCuS4" +mp-1239274,ZrCrCuS4,-6.6003690082,-1.0509755457,0.2078370036,0.2078370036,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Cr-Cu-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_2a_4a_16a_2a:Cr-Cu-S-Zr, expected ZrCr(CuS4)2 to be ZrCrCuS4" +mp-1247017,ZrCrCuS4,-6.6167290932,-1.0673356307,0.1914769186,0.1914769186,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Cr-Cu-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_2a_4a_16a_2a:Cr-Cu-S-Zr, expected ZrCr(CuS4)2 to be ZrCrCuS4" +mp-1239133,ZrCrCuS4,-6.6848881621,-1.1354946996,0.1233178496,0.1233178496,GGA,Ima2,ABC4D_oI28_46_a_b_2bc_b:Cr-Cu-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_oI28_46_a_b_4b3c_b:Cr-Cu-S-Zr, expected ZrCrCuS10 to be ZrCrCuS4" +mp-1239257,ZrCrCuS4,-6.6559782482,-1.1065847857,0.1522277636,0.1522277636,GGA,Pmmn,ABC4D_oP28_59_e_ab_2eg_c:Cr-Cu-S-Zr,28.0,ABC4D_oP28_59_e_ab_2eg_c:Cr-Cu-S-Zr +mp-1239134,ZrCrCuS4,-6.6662176161,-1.1168241536,0.1419883957,0.1419883957,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:Cr-Cu-S-Zr,28.0,ABC4D_oP28_62_c_c_4c_c:Cr-Cu-S-Zr +mp-1239248,ZrCrCuS4,-6.45859168,-0.9091982175,0.3496143318,0.3496143318,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cr-Cu-S-Zr,28.0,ABC4D_oP28_62_c_c_2cd_c:Cr-Cu-S-Zr +mp-1246393,ZrCrCuS4,-6.5435475554,-0.9941540929,0.2646584564,0.2646584564,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cr-Cu-S-Zr,28.0,ABC4D_oP28_62_c_c_2cd_c:Cr-Cu-S-Zr +mp-1215284,ZrCrCuS4,-6.8066020486,-1.2572085861,0.0016039632,0.0016039632,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-S-Zr, expected ZrCrCuS8 to be ZrCrCuS4" +mp-2647004,CdIrO3,-6.1157313987,-1.1954533839,0.1077303223,0.1077303223,GGA,R-3,ABC3_hR30_148_c_c_f:Cd-Ir-O,30.0,ABC3_hR30_148_c_c_f:Cd-Ir-O +mp-1016828,CdIrO3,-5.760263306,-0.8399852913,0.463198415,0.463198415,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cd-Ir-O,5.0,ABC3_cP5_221_a_b_c:Cd-Ir-O +mp-981103,Sr3CdO4,-5.8533914063,-2.6311257856,0.0185063862,0.0185063862,GGA,Pm-3m,AB4C3_cP8_221_a_bd_c:Cd-O-Sr,8.0,AB4C3_cP8_221_a_bd_c:Cd-O-Sr +mp-1018032,SrCdO2,-5.3198638925,-2.1934237335,0.0281136175,0.0281136175,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Cd-O-Sr,4.0,AB2C_tP4_123_a_bc_d:Cd-O-Sr +mp-15269,Sr3CdIrO6,-6.4070211582,-2.3606632884,0.0,-0.0374214816,GGA,R-3c,ABC6D3_hR66_167_a_b_f_e:Cd-Ir-O-Sr,22.0,ABC6D3_hR66_167_a_b_f_e:Cd-Ir-O-Sr +mp-1191945,Tb2Fe17N3,-8.3814438677,-0.2783267066,0.0842305461,0.0842305461,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Tb,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Tb +mp-1217868,Tb(Fe3Mo)3,-8.7316599792,-0.0084671085,0.0107250518,0.0107250518,GGA,Imm2,A9B3C_oI26_44_a2bce_ac_a:Fe-Mo-Tb,13.0,A9B3C_oI26_44_a2bce_ac_a:Fe-Mo-Tb +mp-1217582,TbFe10Mo2N,-8.6587007621,-0.1328169518,0.1309654586,0.1309654586,GGA,Immm,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Tb,14.0,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Tb +mp-1217866,Tb(Fe5Mo)2,-8.5446470192,-0.0041948331,0.0141791141,0.0141791141,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Tb,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Tb +mp-1217545,TbFe11Mo,-8.3669914085,-0.0092799069,0.0082758272,0.0082758272,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Tb,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Tb +mp-1217723,Tb2Fe17N2,-8.2877218648,-0.1957179305,0.1539658986,0.1539658986,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_e_i:Fe-N-Tb,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_f_i:Fe-N-Tb, expected Tb2Fe25N2 to be Tb2Fe17N2" +mp-561234,BaNaZr2F11,-6.7227331412,-3.9651884654,0.0007437772,0.0007437772,GGA,I4_1/a,AB11CD2_tI120_88_e_e5f_e_f:Ba-F-Na-Zr,60.0,"Invalid WP multiplicities - AB11CD2_tI120_88_e_3e35f_e_f:Ba-F-Na-Zr, expected BaNaZr2F73 to be BaNaZr2F11" +mp-1214503,Ba3ZrF10,-6.5497778821,-4.1626768018,0.0004413009,0.0004413009,GGA,Cmcm,A3B10C_oC56_63_cg_efgh_c:Ba-F-Zr,28.0,A3B10C_oC56_63_cg_efgh_c:Ba-F-Zr +mp-505400,BaZr2F10,-7.0283312496,-4.09531849,0.0,-0.0140278317,GGA,C2/c,AB10C2_mC52_15_e_2e4f_f:Ba-F-Zr,26.0,AB10C2_mC52_15_e_2e4f_f:Ba-F-Zr +mp-556738,BaZrF6,-6.86979579,-4.1278521181,0.0026856,-0.0015670572,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Ba-F-Zr,32.0,"Invalid WP multiplicities - AB6C_mP32_14_e_22e_e:Ba-F-Zr, expected BaZrF22 to be BaZrF6" +mp-8232,BaZrF6,-6.87248139,-4.1305377181,0.0,-0.0042526572,GGA,Cmme,AB6C_oC32_67_g_mo_a:Ba-F-Zr,16.0,"Invalid WP multiplicities - AB6C_oC32_67_g_m2o_a:Ba-F-Zr, expected BaZrF10 to be BaZrF6" +mp-5900,Ba2ZrF8,-6.6790166675,-4.1628819175,0.0,-0.0118920552,GGA,Pnma,A2B8C_oP44_62_2c_2c3d_c:Ba-F-Zr,44.0,"Invalid WP multiplicities - A2B8C_oP44_62_2c_2c4d_c:Ba-F-Zr, expected Ba2ZrF10 to be Ba2ZrF8" +mp-560732,BaNaZrF7,-6.4467575642,-3.9298022007,0.0,-0.0056847374,GGA,Pnma,AB7CD_oP40_62_c_c3d_c_c:Ba-F-Na-Zr,40.0,"Invalid WP multiplicities - AB7CD_oP40_62_c_4c18d_c_c:Ba-F-Na-Zr, expected BaNaZrF40 to be BaNaZrF7" +mp-558055,In2Cu2SiS6,-4.7471124423,-0.752039894,0.0547539945,0.0547539945,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:Cu-In-S-Si,22.0,"Invalid WP multiplicities - A2B2C6D_mC44_9_4a_3a_10a_a:Cu-In-S-Si, expected In3Cu4SiS10 to be In2Cu2SiS6" +mp-1111211,K2RbInBr6,-3.217318499,-1.6901999313,0.1039294715,0.1039294715,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Rb +mp-1114122,KRb2InBr6,-3.264251988,-1.7501199078,0.0439912485,0.0439912485,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-In-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-In-K-Rb +mp-1041163,HoZn(FeO3)2,-7.3789690145,-2.1327362977,0.0978985225,0.0978985225,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Fe-Ho-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Fe-Ho-O-Zn, expected HoZn(FeO6)2 to be HoZn(FeO3)2" +mp-1225996,EuGdTi2O7,-10.3657394441,-3.5702004394,0.0076598159,0.0076598159,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Eu-Gd-O-Ti,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:Eu-Gd-O-Ti, expected EuGdTi2O13 to be EuGdTi2O7" +mp-1225842,Cu2NiSnS4,-4.881055945,-0.5643157772,0.025856779,0.025856779,GGA,I-4,A2BC4D_tI16_82_ac_b_g_d:Cu-Ni-S-Sn,8.0,A2BC4D_tI16_82_ac_b_g_d:Cu-Ni-S-Sn +mp-1225853,Cu2NiSn3S8,-4.8417658993,-0.6204184336,0.023753952,0.023753952,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Ni-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Cu-Ni-S-Sn, expected Cu2NiSn3S22 to be Cu2NiSn3S8" +mp-1225814,CuNi3(SnS4)2,-5.0648218357,-0.5969390246,0.057935059,0.057935059,GGA,Imm2,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Ni-S-Sn,14.0,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Ni-S-Sn +mp-570536,Rb2AgAu3I8,-2.6736379729,-0.7877664765,0.0,-0.0035881145,GGA,C2/c,AB3C8D2_mC56_15_e_af_4f_f:Ag-Au-I-Rb,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2c2f_16f_f:Ag-Au-I-Rb, expected Rb2Ag(Au3I16)2 to be Rb2AgAu3I8" +mp-1111310,Cs2TaCuF6,-5.585321363,-2.6636550781,0.1887675242,0.1887675242,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Ta +mp-1080453,NdAsRuO,-7.9292390875,-2.0171498153,0.0,-0.0913633831,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Nd-O-Ru,8.0,ABCD_tP8_129_c_c_a_b:As-Nd-O-Ru +mp-756708,CaPrO3,-7.3414179785,-3.0161036247,0.1753800014,0.1753800014,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Pr,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Ca-O-Pr, expected CaPrO7 to be CaPrO3" +mp-755624,Ca2PrO4,-7.2071786086,-3.1244842714,0.0999056156,0.0999056156,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Ca-O-Pr,14.0,"Invalid WP multiplicities - A2B4C_oP14_55_g_2g3h_b:Ca-O-Pr, expected Ca2PrO10 to be Ca2PrO4" +mp-1227113,CaPrAl3O7,-7.9324802067,-3.544975698,0.0,-0.0042415871,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Al-Ca-O-Pr,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Al-Ca-O-Pr, expected CaPrAl5O19 to be CaPrAl3O7" +mp-1183496,Ca2Pr2O5,-7.2186098622,-2.9623371037,0.5827653732,0.5827653732,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ca-O-Pr,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ca-O-Pr, expected Ca2Pr2O9 to be Ca2Pr2O5" +mp-1095973,LiLaAu2,-2.3772912925,0.9708822004,1.6542004662,1.6542004662,GGA,Immm,A2BC_oI8_71_e_a_b:Au-La-Li,4.0,A2BC_oI8_71_e_a_b:Au-La-Li +mp-1185375,LiLaAu2,-4.0210668775,-0.6728933846,0.0104248812,0.0104248812,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Au-La-Li,4.0,A2BC_cF16_225_c_a_b:Au-La-Li +mp-28853,LaAuO3,-6.9256275395,-2.3156364917,0.0,-0.0695461774,GGA,Pbcm,ABC3_oP20_57_d_d_ce:Au-La-O,20.0,ABC3_oP20_57_d_d_ce:Au-La-O +mp-1232326,La2AuO4,-7.5648273614,-2.860162925,0.0923730176,0.0923730176,GGA,I4/mmm,AB2C4_tI14_139_a_e_cd:Au-La-O,7.0,AB2C4_tI14_139_a_e_cd:Au-La-O +mp-9160,La4Au2O9,-7.5627142168,-2.8419148288,0.0,-0.0065216768,GGA,Pbcn,A2B4C9_oP60_60_d_2d_c4d:Au-La-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_60_d_2d_c7d:Au-La-O, expected La4Au2O15 to be La4Au2O9" +mp-560605,LiLa4AuO8,-7.7600944043,-3.1529270488,0.0,-0.0141479665,GGA,Cmmm,AB4CD8_oC28_65_a_gh_c_mn:Au-La-Li-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_2gh_c_2m2n:Au-La-Li-O, expected LiLa6AuO16 to be LiLa4AuO8" +mp-996952,LaAuO2,-7.089494335,-2.5636777031,0.0197912466,0.0197912466,GGA,R-3m,ABC2_hR12_166_a_b_c:Au-La-O,4.0,ABC2_hR12_166_a_b_c:Au-La-O +mp-997003,LaAuO2,-7.0897020137,-2.5638853819,0.0195835679,0.0195835679,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-La-O,8.0,ABC2_hP8_194_c_a_f:Au-La-O +mp-556221,Ni(XeF7)4,-2.7118001532,-0.9103988062,0.0,-0.0058926334,GGA+U,C2/c,A28BC4_mC132_15_14f_a_2f:F-Ni-Xe,66.0,"Invalid WP multiplicities - A28BC4_mC132_15_53f_a_3f:F-Ni-Xe, expected Ni(Xe3F53)2 to be Ni(XeF7)4" +mp-654447,Ni(XeF8)2,-2.9024397081,-0.9847476818,0.0,-0.0012737454,GGA+U,Pbca,A16BC2_oP152_61_16c_c_2c:F-Ni-Xe,152.0,"Invalid WP multiplicities - A16BC2_oP152_61_119c_c_10c:F-Ni-Xe, expected NiXe10F119 to be Ni(XeF8)2" +mp-1195453,NiSb3XeF23,-4.3496142735,-2.1293524584,0.0,-0.0115885721,GGA+U,P2_1/c,A23BC3D_mP112_14_23e_ad_3e_e:F-Ni-Sb-Xe,112.0,A23BC3D_mP112_14_23e_ad_3e_e:F-Ni-Sb-Xe +mp-1111968,Cs2RbAsF6,-4.674745039,-2.7848119363,0.0,-0.006820605,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Rb +mp-1111463,CsRb2AsF6,-4.614283199,-2.7158369263,0.068545293,0.068545293,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cs-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cs-F-Rb +mp-1229053,AgHgAsO4,-5.0761941457,-1.1358927717,0.003722964,0.003722964,GGA,Fdd2,ABCD4_oF56_43_a_a_a_2b:Ag-As-Hg-O,14.0,"Invalid WP multiplicities - ABCD4_oF56_43_a_a_a_7b:Ag-As-Hg-O, expected AgHgAsO14 to be AgHgAsO4" +mp-558188,AgHg2AsO4,-4.5449820437,-1.0592582958,0.0,-0.0292257017,GGA,Pbam,ABC2D4_oP32_55_h_g_i_2gi:Ag-As-Hg-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_55_h_g_i_7g6i:Ag-As-Hg-O, expected AgHg2AsO19 to be AgHg2AsO4" +mp-1215006,Ag8Hg(AsO5)2,-4.6469010702,-0.7540795315000001,0.0944742487,0.0944742487,GGA,P31c,A8B2CD10_hP42_159_2b2c_2a_b_2a2b2c:Ag-As-Hg-O,42.0,A8B2CD10_hP42_159_2b2c_2a_b_2a2b2c:Ag-As-Hg-O +mp-1210491,Pr2Cl3O16,-5.259528485,-0.7712217769,0.4260880142,0.4260880142,GGA,C2/c,A3B16C2_mC84_15_ef_8f_f:Cl-O-Pr,42.0,A3B16C2_mC84_15_ef_8f_f:Cl-O-Pr +mp-1192800,PrCl3O7,-4.7770290168,-0.6903620428,0.5656180287,0.5656180287,GGA,P-1,A3B7C_aP22_2_3i_7i_i:Cl-O-Pr,22.0,A3B7C_aP22_2_3i_7i_i:Cl-O-Pr +mp-1210675,Pr(ClO)3,-4.8812968589,-1.2860708777,0.460403548,0.460403548,GGA,Pnma,A3B3C_oP28_62_cd_cd_c:Cl-O-Pr,28.0,A3B3C_oP28_62_cd_cd_c:Cl-O-Pr +mp-727148,Pr(ClO2)3,-5.111064711,-1.1103999108,0.2314166727,0.2314166727,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr +mp-1179898,Pr(ClO2)3,-4.7353509095,-0.7346861092,0.6071304742,0.6071304742,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr +mp-1190101,Pr(ClO2)3,-4.770280183,-0.7696153827000001,0.5722012007,0.5722012007,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Pr +mp-27984,PrClO,-7.31746448,-3.4587541046,0.0,-0.1574456313,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Pr,6.0,ABC_tP6_129_c_a_c:Cl-O-Pr +mp-1087474,PrClO2,-6.3551606012,-2.2244556419,0.4394926186,0.4394926186,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Pr,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Pr +mp-1179810,PrClO2,-6.41151672,-2.2808117606,0.3831364999,0.3831364999,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Pr,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Pr +mp-29887,Pr(ClO4)3,-5.3431647384,-0.9877409716,0.0,-0.1478697719,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Pr,32.0,"Invalid WP multiplicities - A3B12C_hP32_176_h_2h2i_c:Cl-O-Pr, expected Pr(ClO6)3 to be Pr(ClO4)3" +mp-1105528,Pr5As2ClO10,-7.9054296206,-3.2088635451,0.0,-0.0625361538,GGA,C2/m,A2BC10D5_mC36_12_i_a_i2j_c2i:As-Cl-O-Pr,18.0,A2BC10D5_mC36_12_i_a_i2j_c2i:As-Cl-O-Pr +mp-542208,Ba3NaOs2O9,-7.2723846457,-2.335425754,0.0,-0.036109688,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Na-O-Os,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Na-O-Os +mp-22442,Ba2NaOsO6,-6.995648841,-2.3888513539,0.0,-0.1022321968,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Na-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Na-O-Os +mp-1233285,MgCd4(TcO3)4,-6.5358145895,-1.4836879512,0.2739654581,0.2739654581,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Mg-O-Tc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Mg-O-Tc +mp-1233359,MgCd4(TcO3)4,-6.5156685057,-1.4635418674,0.2941115419,0.2941115419,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Mg-O-Tc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Cd-Mg-O-Tc +mp-1233252,MgCd4(TcO3)4,-6.5267852748,-1.4746586364,0.2829947729,0.2829947729,GGA,Pm,A4BC12D4_mP21_6_2a2b_a_2a2b4c_2c:Cd-Mg-O-Tc,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_2a2b_a_2a2b8c_4c:Cd-Mg-O-Tc, expected MgCd4(Tc2O5)4 to be MgCd4(TcO3)4" +mp-34433,Mg2TcO4,-7.26330363,-2.4993102171,0.0533754804,0.0533754804,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mg-O-Tc,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Mg-O-Tc, expected Mg2TcO10 to be Mg2TcO4" +mp-1213340,Eu2CoRuO6,-9.006396609,-2.3487109888,0.0,-0.0244975916,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Eu-O-Ru,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Eu-O-Ru +mp-14532,NaTa3O8,-9.582404135,-3.2099568122,0.0226966615,0.0226966615,GGA,Ibam,AB8C3_oI48_72_a_2jk_bj:Na-O-Ta,24.0,AB8C3_oI48_72_a_2jk_bj:Na-O-Ta +mp-8957,Na5TaO5,-6.2567439164,-2.3291214024,0.0,-0.1490411839,GGA,C2/c,A5B5C_mC44_15_e2f_e2f_e:Na-O-Ta,22.0,"Invalid WP multiplicities - A5B5C_mC44_15_e3f_e3f_e:Na-O-Ta, expected Na7TaO7 to be Na5TaO5" +mp-1210516,Na2HoTa5O15,-9.4032565867,-3.28514014,0.0485702246,0.0485702246,GGA,P4/mbm,AB2C15D5_tP46_127_a_g_dhi2j_cj:Ho-Na-O-Ta,46.0,AB2C15D5_tP46_127_a_g_dhi2j_cj:Ho-Na-O-Ta +mp-1075952,Na2Ta2O5,-8.3438691539,-2.6667525535000003,0.1757718001,0.1757718001,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:Na-O-Ta,18.0,A2B5C2_oI36_46_c_b2c_ab:Na-O-Ta +mp-727520,NaTa7O19,-9.7485351511,-3.1443109208,0.0224510081,0.0224510081,GGA,Pbam,AB19C7_oP108_55_g_7g12h_7h:Na-O-Ta,108.0,AB19C7_oP108_55_g_7g12h_7h:Na-O-Ta +mp-730333,NaTaO3,-5.485820724,0.1182530874,3.1876778395,3.0977413489,GGA,P1,AB3C_aP40_1_8a_24a_8a:Na-O-Ta,40.0,AB3C_aP40_1_8a_24a_8a:Na-O-Ta +mp-676280,NaTaO3,-8.5778496355,-2.9737758241,0.095648928,0.0057124374,GGA,P1,AB3C_aP40_1_8a_24a_8a:Na-O-Ta,40.0,AB3C_aP40_1_8a_24a_8a:Na-O-Ta +mp-3858,NaTaO3,-8.6734985635,-3.0694247521,0.0,-0.0899364906,GGA,Pnma,AB3C_oP20_62_c_cd_a:Na-O-Ta,20.0,AB3C_oP20_62_c_cd_a:Na-O-Ta +mp-4699,NaTaO3,-8.672111269,-3.0680374576,0.0013872945,-0.0885491961,GGA,Cmcm,AB3C_oC40_63_2c_efg_d:Na-O-Ta,20.0,AB3C_oC40_63_2c_efg_d:Na-O-Ta +mp-4675,NaTaO3,-8.668880122000001,-3.0648063106,0.0046184415,-0.0853180491,GGA,P4/mbm,AB3C_tP10_127_c_bg_a:Na-O-Ta,10.0,AB3C_tP10_127_c_bg_a:Na-O-Ta +mp-4170,NaTaO3,-8.658897724,-3.0548239126,0.0146008395,-0.0753356511,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Ta,5.0,AB3C_cP5_221_a_c_b:Na-O-Ta +mp-754818,NaTaO3,-8.586740757,-2.9826669456,0.0867578065,-0.0031786841,GGA,Fd-3m,AB3C_cF80_227_c_f_d:Na-O-Ta,20.0,AB3C_cF80_227_c_f_d:Na-O-Ta +mp-3285,Na2Ta4O11,-9.3363561824,-3.1899010688,0.0,-0.0105120853,GGA,R-3c,A2B11C4_hR102_167_c_cef_be:Na-O-Ta,34.0,"Invalid WP multiplicities - A2B11C4_hR102_167_c_cef_b2e:Na-O-Ta, expected Na2Ta7O11 to be Na2Ta4O11" +mp-1220959,NaTa4O8,-9.8201655785,-3.0257697705,0.0,-0.0417819487,GGA,Cm,AB8C4_mC78_8_3a_12b_4a4b:Na-O-Ta,39.0,"Invalid WP multiplicities - AB8C4_mC78_8_3a_23b_4a6b:Na-O-Ta, expected Na3Ta16O46 to be NaTa4O8" +mp-531071,NaTa4O8,-9.8188864035,-3.0244905955,0.001279175,-0.0405027737,GGA,Pmmn,AB8C4_oP78_59_3a_4e4g_4b2g:Na-O-Ta,78.0,"Invalid WP multiplicities - AB8C4_oP78_59_5a_13e14g_7b6g:Na-O-Ta, expected Na5Ta31O82 to be NaTa4O8" +mp-541687,K3GaSe3,-3.6854143029,-1.2786961176,0.0,-0.057002949,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ga-K-Se,28.0,AB3C3_mP28_14_e_3e_3e:Ga-K-Se +mp-29377,K5GaSe4,-3.5369911954,-1.2806175286,0.0,-0.0093546024,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Ga-K-Se,80.0,AB5C4_oP80_61_c_5c_4c:Ga-K-Se +mp-10973,K2Ga3CuSe6,-4.0732579944,-1.0416112029,0.0,-0.0652343716,GGA,C2/c,AB3C2D6_mC96_15_f_2e2f_2f_6f:Cu-Ga-K-Se,48.0,"Invalid WP multiplicities - AB3C2D6_mC96_15_f_3e3f_5f_8f:Cu-Ga-K-Se, expected K10Ga9(CuSe8)2 to be K2Ga3CuSe6" +mp-1197961,Rb3Ga2(Se2O7)2,-5.5484857328,-1.5382647706,0.1696450057,0.1696450057,GGA,Cmce,A2B14C3D4_oC92_64_e_3f2g_af_2f:Ga-O-Rb-Se,46.0,A2B14C3D4_oC92_64_e_3f2g_af_2f:Ga-O-Rb-Se +mp-13744,Rb3GaO3,-4.8033117779,-1.8304882959,0.0,-0.0708211696,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Ga-O-Rb,14.0,AB3C3_mC28_12_i_ij_ghi:Ga-O-Rb +mp-1220653,Rb6Ga10Se20O61,-5.7347974602,-1.5303602891,0.0696232843,0.0696232843,GGA,P1,A10B61C6D20_aP97_1_10a_61a_6a_20a:Ga-O-Rb-Se,97.0,A10B61C6D20_aP97_1_10a_61a_6a_20a:Ga-O-Rb-Se +mp-754596,RbGaO2,-5.527121085,-2.0516192056,0.0,-0.0381010142,GGA,Fd-3m,AB2C_cF32_227_a_c_b:Ga-O-Rb,8.0,AB2C_cF32_227_a_c_b:Ga-O-Rb +mp-1020613,Rb5GaO4,-4.4146384175,-1.6428862945,0.0,-0.021466746,GGA,Pbca,AB4C5_oP80_61_c_4c_5c:Ga-O-Rb,80.0,AB4C5_oP80_61_c_4c_5c:Ga-O-Rb +mp-1209140,RbGa(SeO4)2,-5.7293419533000005,-1.5148450583000002,0.0,-0.0268050481,GGA,P321,AB8CD2_hP12_150_a_dg_b_d:Ga-O-Rb-Se,12.0,AB8CD2_hP12_150_a_dg_b_d:Ga-O-Rb-Se +mp-550685,Ba2CaTeO6,-6.654382466,-2.7876836739,0.0,-0.1703381773,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Te,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Te +mp-1222362,LiZr4(NCl)4,-7.8825611462,-1.971803321,0.0903183781,0.0903183781,GGA,R-3m,A4BC4D4_hR39_166_2c_a_2c_2c:Cl-Li-N-Zr,13.0,"Invalid WP multiplicities - A4BC4D4_hR39_166_3c_a_3c_3c:Cl-Li-N-Zr, expected LiZr6(NCl)6 to be LiZr4(NCl)4" +mp-1222451,LiZrN2,-7.736959855,-0.9545565183,0.3395776814,0.3395776814,GGA,Cm,AB2C_mC8_8_a_2a_a:Li-N-Zr,4.0,AB2C_aP4_1_a_2a_a:Li-N-Zr +mp-1237264,LiZrN2,-7.737768615,-0.9553652783,0.3387689214,0.3387689214,GGA,P3m1,AB2C_hP4_156_a_ab_c:Li-N-Zr,4.0,AB2C_hP4_156_a_ab_c:Li-N-Zr +mp-686744,Li6NCl3,-3.895769102,-1.3622048915,0.107043848,0.107043848,GGA,P1,A3B6C_aP10_1_3a_6a_a:Cl-Li-N,10.0,A3B6C_aP10_1_3a_6a_a:Cl-Li-N +mp-34038,Li6NCl3,-3.969132734,-1.4355685235,0.033680216,0.033680216,GGA,Cm,A3B6C_mC20_8_3a_6a_a:Cl-Li-N,10.0,A3B6C_mC20_8_3a_6a_a:Cl-Li-N +mp-3216,Li2ZrN2,-7.055568072,-1.2478608293,0.0,-0.1543092565,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Zr,5.0,A2B2C_hP5_164_d_d_a:Li-N-Zr +mp-672350,ZrNCl,-7.8533490517,-1.60910498,0.4812769183,0.31593378,GGA,P-3m1,ABC_hP6_164_d_d_c:Cl-N-Zr,6.0,ABC_hP6_164_d_d_c:Cl-N-Zr +mp-632657,ZrNCl,-8.10128865,-1.8570445783,0.23333732,0.0679941817,GGA,P-3m1,ABC_hP6_164_d_d_c:Cl-N-Zr,6.0,ABC_hP6_164_d_d_c:Cl-N-Zr +mp-542791,ZrNCl,-8.3338169467,-2.089572875,0.0008090233,-0.164534115,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-N-Zr,6.0,ABC_hR18_166_c_c_c:Cl-N-Zr +mp-568592,ZrNCl,-8.33462597,-2.0903818983,0.0,-0.1653431383,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-N-Zr,6.0,ABC_hR18_166_c_c_c:Cl-N-Zr +mp-37498,Li5NCl2,-3.9679238906,-1.2706510683,0.031678785,0.031678785,GGA,P2/m,A2B5C_mP16_10_aem_2m3n_n:Cl-Li-N,16.0,"Invalid WP multiplicities - A2B5C_mP16_10_ce2m_4m4n_n:Cl-Li-N, expected Li8NCl3 to be Li5NCl2" +mp-29151,Li5NCl2,-3.9942548087,-1.2969819865,0.0053478669,0.0053478669,GGA,R-3m,A2B5C_hR24_166_c_a2c_b:Cl-Li-N,8.0,A2B5C_hR24_166_c_a2c_b:Cl-Li-N +mp-531184,Zr6NCl15,-6.222283148,-2.251794575,0.0,-0.07932342,GGA,Ia-3d,A15BC6_cI352_230_g2h_a_h:Cl-N-Zr,176.0,"Invalid WP multiplicities - A15BC6_cI352_230_18g37h_a_h:Cl-N-Zr, expected Zr6NCl276 to be Zr6NCl15" +mp-29149,Li4NCl,-3.9942522183,-1.0241317097,0.0,-0.00721288,GGA,R-3m,AB4C_hR18_166_a_2c_b:Cl-Li-N,6.0,AB4C_hR18_166_a_2c_b:Cl-Li-N +mp-1029297,LiZr2N3,-8.8536924275,-1.5180576106,0.0,-0.0179578175,GGA,Cmcm,AB3C2_oC24_63_c_cg_g:Li-N-Zr,12.0,AB3C2_oC24_63_c_cg_g:Li-N-Zr +mp-1247358,Li3ZrN2,-5.8360091838,-0.6780993371,0.3617846874,0.3617846874,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:Li-N-Zr,24.0,A3B2C_mP24_14_3e_2e_e:Li-N-Zr +mp-1247372,Li3ZrN2,-6.0564508817,-0.898541035,0.1413429894,0.1413429894,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Zr,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Zr +mp-1347506,Mg2CuIrO6,-6.3828884195,-1.8010550978,0.0258412287,0.0258412287,GGA,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Cu-Ir-Mg-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_10e:Cu-Ir-Mg-O, expected Mg2CuIrO20 to be Mg2CuIrO6" +mp-1097304,Mg2CuIr,-2.0328132925,2.001736945,2.2823238768,2.2823238768,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ir-Mg,4.0,ABC2_oI8_71_a_b_e:Cu-Ir-Mg +mp-1225456,ErTiFe11N,-8.3516207257,-0.2109107927,0.1293797964,0.1293797964,GGA,Imm2,AB11CD_oI28_44_a_a2b2ce_b_a:Er-Fe-N-Ti,14.0,AB11CD_oI28_44_a_a2b2ce_b_a:Er-Fe-N-Ti +mp-1246817,Mg2MnCr3S8,-6.4608620086,-1.1456250988,0.0383844598,0.0383844598,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c2h:Cr-Mg-Mn-S, expected Mg2MnCr3S16 to be Mg2MnCr3S8" +mp-1247048,MgMnCrS4,-6.3958348221,-1.1156716393,0.0468728911,0.0468728911,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Cr-Mg-Mn-S, expected MgMnCrS12 to be MgMnCrS4" +mp-1028075,Mg14MnCr,-2.4486355625,0.1275509039,0.1445811245,0.1445811245,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Mn, expected Mg18MnCr to be Mg14MnCr" +mp-1028055,Mg14MnCr,-2.4544571188,0.1217293476,0.1387595682,0.1387595682,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Mn, expected Mg26MnCr to be Mg14MnCr" +mp-1022934,Mg6MnCr,-3.3040654031,0.2480274796,0.2626248116,0.2626248116,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Mn, expected Mg12MnCr to be Mg6MnCr" +mp-1022971,Mg6MnCr,-3.3040420694,0.2480508134,0.2626481453,0.2626481453,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Mn, expected Mg12MnCr to be Mg6MnCr" +mp-1247061,Mg2Mn3CrS8,-6.3184299543,-1.0733404985,0.052808217,0.052808217,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Cr-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c3h:Cr-Mg-Mn-S, expected Mg2Mn3CrS22 to be Mg2Mn3CrS8" +mp-562099,Cr2(Se2O5)3,-6.2921804748,-1.314706802,0.1038413539,0.1038413539,GGA+U,P2_1/c,A2B15C6_mP92_14_abcd_15e_6e:Cr-O-Se,92.0,A2B15C6_mP92_14_abcd_15e_6e:Cr-O-Se +mp-1105933,LaCrSe3,-6.588914989,-1.5735571874,0.0,-0.0116922816,GGA,Pnma,ABC3_oP20_62_c_c_3c:Cr-La-Se,20.0,ABC3_oP20_62_c_c_3c:Cr-La-Se +mp-1205855,LaCrSe2O,-7.444074765,-2.1385615167,0.0126293275,0.0126293275,GGA+U,C2/m,ABCD2_mC20_12_ad_i_i_2i:Cr-La-O-Se,10.0,ABCD2_mC20_12_ac_i_i_2i:Cr-La-O-Se +mp-1211273,LaCrSe2O,-7.4480712315,-2.1425579832,0.008632861,0.008632861,GGA+U,Pnma,ABCD2_oP20_62_c_c_c_2c:Cr-La-O-Se,20.0,ABCD2_oP20_62_c_c_c_2c:Cr-La-O-Se +mp-559864,InSb2S4Br,-4.385154745,-0.7465904941,0.0,-0.00288973,GGA,C2/m,ABC4D2_mC32_12_i_i_4i_2i:Br-In-S-Sb,16.0,"Invalid WP multiplicities - ABC4D2_mC32_12_i_i_8i_3i:Br-In-S-Sb, expected InSb3S8Br to be InSb2S4Br" +mp-1223939,InMo6(SeS)4,-7.3846438707,-0.8276418861,0.0487991237,0.0487991237,GGA,P1,AB6C4D4_aP15_1_a_6a_4a_4a:In-Mo-S-Se,15.0,AB6C4D4_aP15_1_a_6a_4a_4a:In-Mo-S-Se +mp-1087488,InMoS2,-6.2778969138,-0.8103385203,0.0908281037,0.0908281037,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:In-Mo-S,8.0,ABC2_hP8_194_a_b_f:In-Mo-S +mp-1104377,In(Mo3S4)2,-7.6375896387,-0.909777417,0.051466982,0.051466982,GGA,R-3,AB6C8_hR45_148_a_f_cf:In-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:In-Mo-S +mp-1402760,Ca2Sb3O8,-6.5391641354,-2.2336477377,0.1870190706,0.1870190706,GGA,C2/m,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Sb,13.0,A2B8C3_mC26_12_i_2ij_ah:Ca-O-Sb +mp-1042549,Ca2Sb3O8,-6.4808623058,-2.1753459081,0.2453209003,0.2453209003,GGA,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Ca-O-Sb,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Ca-O-Sb, expected Ca2(SbO4)3 to be Ca2Sb3O8" +mp-1351834,Ca(SbO2)2,-6.474114575,-2.1812064029,0.0665556335,0.0665556335,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sb,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sb +mp-1044820,Ca(SbO2)2,-6.4541452002,-2.1612370281,0.0865250082,0.0865250082,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sb,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-Sb +mp-1041517,Ca(SbO2)2,-6.3189818071,-2.026073635,0.2216884013,0.2216884013,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Ca-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Ca-O-Sb, expected Ca(SbO5)2 to be Ca(SbO2)2" +mp-1364572,Ca(SbO2)2,-6.3827637168,-2.0898555446,0.1579064917,0.1579064917,GGA,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Ca-O-Sb,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Ca-O-Sb, expected Ca4Sb11O24 to be Ca(SbO2)2" +mp-1042260,Ca(SbO2)2,-6.470015265,-2.1771070929,0.0706549435,0.0706549435,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Ca-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Ca-O-Sb, expected CaSb3O7 to be Ca(SbO2)2" +mp-1047563,Ca(SbO2)2,-6.3764283729,-2.0835202007,0.1642418356,0.1642418356,GGA,Pbcm,AB4C2_oP28_57_d_cde_e:Ca-O-Sb,28.0,"Invalid WP multiplicities - AB4C2_oP28_57_d_3c3d5e_e:Ca-O-Sb, expected Ca(SbO8)2 to be Ca(SbO2)2" +mp-1041743,Ca(SbO2)2,-6.2208158918,-1.9279077196,0.3198543167,0.3198543167,GGA,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Sb,28.0,AB4C2_oP28_59_ab_2eg_ce:Ca-O-Sb +mp-1345720,Ca(SbO2)2,-6.3765794093,-2.0836712371,0.1640907992,0.1640907992,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Sb,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-Sb +mp-1047315,Ca(SbO2)2,-6.2390344514,-1.9461262793,0.301635757,0.301635757,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Sb,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-Sb +mp-1041690,Ca(SbO2)2,-6.4697739029,-2.1768657307,0.0708963056,0.0708963056,GGA,I-4,AB4C2_tI28_82_ac_2g_g:Ca-O-Sb,14.0,"Invalid WP multiplicities - AB4C2_tI28_82_ac_4g_g:Ca-O-Sb, expected Ca(SbO4)2 to be Ca(SbO2)2" +mp-1044865,Ca(SbO2)2,-6.2707632595,-1.9778550874,0.2699069489,0.2699069489,GGA,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Ca-O-Sb,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c13d_a2b7d:Ca-O-Sb, expected Ca2Sb8O15 to be Ca(SbO2)2" +mp-1044693,Ca(SbO2)2,-6.2893723114,-1.9964641393,0.251297897,0.251297897,GGA,R3m,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Sb,14.0,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-Sb +mp-1046855,Ca(SbO2)2,-6.2161584921,-1.92325032,0.3245117163,0.3245117163,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Sb,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Sb +mp-1047976,Ca(SbO2)4,-6.3826397215,-1.9137847577,0.1952670456,0.1952670456,GGA,Cm,AB8C4_mC26_8_a_8a_4a:Ca-O-Sb,13.0,AB8C4_mC26_8_a_8a_4a:Ca-O-Sb +mp-1043664,Ca(SbO2)4,-6.1371617085,-1.6683067446000002,0.4407450587,0.4407450587,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-O-Sb,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-O-Sb, expected Ca(Sb2O7)2 to be Ca(SbO2)4" +mp-13660,Ca4Sb2O,-4.8143774214,-1.7819358912,0.0,-0.0851762622,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Ca-O-Sb,7.0,A4BC2_tI14_139_ce_a_e:Ca-O-Sb +mp-1341647,Ca3Sb2O7,-6.6488579788,-2.5737227205,0.1010191528,0.1010191528,GGA,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-Sb,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Ca-O-Sb, expected Ca3Sb2O9 to be Ca3Sb2O7" +mp-1043964,CaSb3O7,-6.4843158089,-2.0280044835,0.1885331799,0.1885331799,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-O-Sb,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Ca-O-Sb, expected CaSb5O7 to be CaSb3O7" +mp-1045293,Ca(SbO3)2,-6.6332983094,-2.1951055731,0.1766894439,0.05644678,GGA,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Ca-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_2a3b_b:Ca-O-Sb, expected Ca(SbO4)2 to be Ca(SbO3)2" +mp-9125,Ca(SbO3)2,-6.8099877533,-2.3717950169,0.0,-0.1202426639,GGA,P-31m,AB6C2_hP9_162_a_k_d:Ca-O-Sb,9.0,AB6C2_hP9_162_a_k_d:Ca-O-Sb +mp-1345783,CaSb2O5,-6.4211288913,-2.0464981517,0.2853979797,0.2853979797,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-O-Sb,16.0,AB5C2_oP16_59_a_b2e_e:Ca-O-Sb +mp-1042984,CaSb2O5,-6.3881241281,-2.0134933886,0.3184027428,0.3184027428,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-Sb,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-Sb +mp-1041122,CaSb4O9,-6.4264814193,-1.9234954735,0.2271230654,0.2271230654,GGA,P-1,AB9C4_aP28_2_i_9i_4i:Ca-O-Sb,28.0,"Invalid WP multiplicities - AB9C4_aP28_2_i_16i_7i:Ca-O-Sb, expected CaSb7O16 to be CaSb4O9" +mp-1344288,Ca2Sb2O5,-6.4462307428,-2.3348256543,0.1562131334,0.1562131334,GGA,Pbam,A2B5C2_oP18_55_h_agh_g:Ca-O-Sb,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Ca-O-Sb, expected CaSbO6 to be Ca2Sb2O5" +mp-1043626,Ca2Nb2SbO8,-8.0636174204,-2.8392850535000003,0.1762928158,0.1762928158,GGA,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:Ca-Nb-O-Sb,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_4i_4i_16i_i:Ca-Nb-O-Sb, expected Ca4Nb4SbO16 to be Ca2Nb2SbO8" +mp-16280,Ca2Sb2O7,-6.8585324482,-2.5952576101,0.0,-0.0534879527,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ca-O-Sb,22.0,A2B7C2_oI44_74_ac_ehj_bd:Ca-O-Sb +mp-14145,Ca2Sb2O7,-6.4156271132,-2.1523522751,0.442905335,0.3894173823,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ca-O-Sb,22.0,A2B7C2_cF88_227_d_af_c:Ca-O-Sb +mp-1190115,Ca2Sb2O7,-6.8292542341,-2.565979396,0.0292782141,-0.0242097386,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ca-O-Sb,22.0,A2B7C2_cF88_227_c_af_d:Ca-O-Sb +mp-1340624,CaSbO3,-6.6325147455,-2.4375812948,0.1107778453,0.1107778453,GGA,P2_1/m,AB3C_mP20_11_2e_2e2f_ad:Ca-O-Sb,20.0,"Invalid WP multiplicities - AB3C_mP20_11_2e_4e6f_ac:Ca-O-Sb, expected CaSbO8 to be CaSbO3" +mp-1377563,CaSbO3,-6.624212062,-2.4292786113,0.1190805288,0.1190805288,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Sb,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Sb +mp-22165,Ce(CoB)4,-7.2574040861,-0.4703010396,0.0041185369,0.0041185369,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Ce-Co,18.0,A4BC4_tP18_137_g_a_g:B-Ce-Co +mp-574273,Ce2Co5B2,-7.2013292231,-0.4494902423,0.0,-0.0382825308,GGA,P6_3/mmc,A2B2C5_hP36_194_ef_2f_ahk:B-Ce-Co,36.0,"Invalid WP multiplicities - A2B2C5_hP36_194_2e2f_5f_2a4h6k:B-Ce-Co, expected Ce5Co25B4 to be Ce2Co5B2" +mp-13765,Ce3Co11B4,-7.2004177106,-0.3832882498,0.0064849236,0.0064849236,GGA,P6/mmm,A4B3C11_hP18_191_h_ae_cgi:B-Ce-Co,18.0,"Invalid WP multiplicities - A4B3C11_hP18_191_h_ae_2cgi:B-Ce-Co, expected Ce3Co13B4 to be Ce3Co11B4" +mp-1103972,Ce4(CoB2)3,-6.9440597238,-0.3953165985,0.0811238145,0.0811238145,GGA,R-3m,A6B4C3_hR39_166_f_2c_bc:B-Ce-Co,13.0,A6B4C3_hR39_166_f_2c_bc:B-Ce-Co +mp-1226630,CeCo2SiB,-7.01018785,-0.5593009408,0.0622950753,0.0622950753,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:B-Ce-Co-Si,5.0,ABC2D_tI10_107_a_a_b_a:B-Ce-Co-Si +mp-504616,Ce2Co7B3,-7.2025563725,-0.3973415235,0.0187593957,0.0187593957,GGA,P6/mmm,A3B2C7_hP24_191_ch_abe_d2i:B-Ce-Co,24.0,A3B2C7_hP24_191_ch_abe_d2i:B-Ce-Co +mp-4454,CeCo3B2,-7.2601754617,-0.4907044481,0.0,-0.0308088071,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ce-Co,6.0,A2BC3_hP6_191_c_a_g:B-Ce-Co +mp-16083,Ce3Co29(Si2B5)2,-7.22261362,-0.4305337646,0.0,-0.0359098183,GGA,P4/nmm,A10B3C29D4_tP92_129_2cij_ae_c3i2jk_i:B-Ce-Co-Si,92.0,"Invalid WP multiplicities - A10B3C29D4_tP92_129_2ci2j_ae_c9i2j5k_i:B-Ce-Co-Si, expected Ce3Co85(Si2B7)2 to be Ce3Co29(Si2B5)2" +mp-1205398,Ce(Co2B)6,-7.2668922979,-0.3558789653,0.0,-0.0316238113,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Ce-Co,19.0,A6BC12_hR57_166_h_a_gh:B-Ce-Co +mp-21878,CeCo4B,-7.1320886375,-0.2911299532,0.0459877285,0.0459877285,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Ce-Co,12.0,ABC4_hP12_191_c_ab_di:B-Ce-Co +mp-1378636,Mg2MnIrO6,-7.1702251435,-2.0821109595,0.1009364217,0.1009364217,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-Mg-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_10e:Ir-Mg-Mn-O, expected Mg2MnIrO20 to be Mg2MnIrO6" +mp-13234,Lu5Si3B,-5.5986939128,-0.5364607505,0.1589180906,0.1589180906,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Lu-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Lu-Si +mp-15709,LuCo3B2,-7.077004625,-0.5428900506000001,0.0,-0.0745630115,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Lu,6.0,A2B3C_hP6_191_c_g_a:B-Co-Lu +mp-15826,Lu2Co3Si5,-6.4763096575,-0.7269652,0.0,-0.0730701527,GGA,C2/c,A3B2C5_mC40_15_ef_f_3ef:Co-Lu-Si,20.0,"Invalid WP multiplicities - A3B2C5_mC40_15_2e2f_f_3ef:Co-Lu-Si, expected Lu2Co6Si5 to be Lu2Co3Si5" +mp-1106010,Lu2Co3Si5,-6.4689060275,-0.71956157,0.00740363,-0.0656665227,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Co-Lu-Si,20.0,A3B2C5_oI40_72_aj_j_bfj:Co-Lu-Si +mp-1210846,LuCoB4,-7.0256591308,-0.6345198978000001,0.0,-0.063889665,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Lu,24.0,A4BC_oP24_55_4h_g_g:B-Co-Lu +mp-1210815,Lu3Co2Si3,-6.2685598019,-0.7616296469,0.0,-0.0055587475,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Lu-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Lu-Si +mp-505543,Lu2CoB6,-6.9003029164,-0.6529063097000001,0.0006190608,0.0006190608,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Co-Lu,36.0,A6BC2_oP36_55_6h_g_2g:B-Co-Lu +mp-1102787,LuCoSi,-6.4382414175000005,-0.7533793025000001,0.0,-0.0619897359,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Lu-Si,12.0,ABC_oP12_62_c_c_c:Co-Lu-Si +mp-20518,Lu4CoB13,-6.7524644231,-0.52889704,0.0877334037,0.0877334037,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Lu,36.0,"Invalid WP multiplicities - A13BC4_tP36_128_2a6g6i_b_h:B-Co-Lu, expected Lu4CoB74 to be Lu4CoB13" +mp-1189538,Lu(CoB)4,-7.1575347006,-0.5273359469000001,0.0,-0.0161117204,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Lu,18.0,A4B4C_tP18_137_g_g_a:B-Co-Lu +mp-1210782,LuCo4B,-6.93709861,-0.3314963649,0.02076888,0.02076888,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Lu,12.0,AB4C_hP12_191_c_di_ab:B-Co-Lu +mp-17460,Lu5(Co2Si7)2,-6.125641575,-0.6042295663,0.0,-0.0277564118,GGA,P2_1/c,A4B5C14_mP46_14_2e_a2e_7e:Co-Lu-Si,46.0,"Invalid WP multiplicities - A4B5C14_mP46_14_2e_a2e_9e:Co-Lu-Si, expected Lu5(Co2Si9)2 to be Lu5(Co2Si7)2" +mp-1188111,Lu3Co11B4,-6.9833940606,-0.401621039,0.0141858078,0.0141858078,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Lu,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Lu +mp-1211507,LuCo5Si3,-6.8626765198,-0.6028438993,0.0,-0.0626712479,GGA,P6_3/m,A5BC3_hP54_176_5h_h_3h:Co-Lu-Si,54.0,A5BC3_hP54_176_5h_h_3h:Co-Lu-Si +mp-16093,Lu3Co29(Si2B5)2,-7.1181198175,-0.41813596,0.0,-0.0226691327,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Lu-Si,92.0,"Invalid WP multiplicities - A10B29C3D4_tP92_129_2ci2j_c9i2j5k_ae_i:B-Co-Lu-Si, expected Lu3Co85(Si2B7)2 to be Lu3Co29(Si2B5)2" +mp-1643785,ScCoO3,-8.1920974155,-2.5359268087,0.0667059504,0.0667059504,GGA+U,P2_1/c,AB3C_mP20_14_ad_3e_e:Co-O-Sc,20.0,"Invalid WP multiplicities - AB3C_mP20_14_ab_8e_e:Co-O-Sc, expected ScCoO8 to be ScCoO3" +mp-754124,ScCoO3,-8.1918296265,-2.5356590197,0.0669737394,0.0669737394,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Sc,20.0,AB3C_oP20_62_a_cd_c:Co-O-Sc +mp-1186980,ScCoO3,-7.702065132,-2.0458945253,0.5567382339,0.5567382339,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Sc,5.0,AB3C_cP5_221_b_c_a:Co-O-Sc +mp-1227689,Ca12ScCo7O24,-7.0694291405,-2.54946502,0.0092607984,0.0092607984,GGA+U,C2,A12B7C24D_mC88_5_ab5c_a3c_12c_b:Ca-Co-O-Sc,44.0,"Invalid WP multiplicities - A12B7C24D_mC88_5_ab8c_a5c_23c_b:Ca-Co-O-Sc, expected Ca18ScCo11O46 to be Ca12ScCo7O24" +mp-561991,Ca3ScCoO6,-7.4932399041,-3.026174558,0.0,-0.0193775503,GGA+U,R-3c,A3BC6D_hR66_167_e_b_f_a:Ca-Co-O-Sc,22.0,A3BC6D_hR66_167_e_b_f_a:Ca-Co-O-Sc +mp-1573669,Ca5Sc2(CoO6)2,-7.4171531943,-2.8328752069,0.0333221429,0.0333221429,GGA+U,P1,A5B2C12D2_aP42_1_10a_4a_24a_4a:Ca-Co-O-Sc,42.0,A5B2C12D2_mC42_5_a2c_c_6c_ab:Ca-Co-O-Sc +mp-1646972,Ca5Sc2(CoO6)2,-7.4130817298,-2.8288037424,0.0373936075,0.0373936075,GGA+U,P2,A5B2C12D2_mP42_3_ab4e_2e_12e_abcd:Ca-Co-O-Sc,42.0,"Invalid WP multiplicities - A5B2C12D2_mP42_3_ad6e_2e_20e_abcd:Ca-Co-O-Sc, expected Ca7Sc2(CoO10)2 to be Ca5Sc2(CoO6)2" +mp-1336958,Ca5Sc2(CoO6)2,-7.4236804362,-2.8394024488,0.026794901,0.026794901,GGA+U,C2,A5B2C12D2_mC42_5_a2c_c_6c_ab:Ca-Co-O-Sc,21.0,A5B2C12D2_mC42_5_a2c_c_6c_ab:Ca-Co-O-Sc +mp-1227024,Ca6Sc(CoO4)3,-7.1920725827,-2.689741387,0.0248006778,0.0248006778,GGA+U,R32,A6B3C12D_hR66_155_de_ac_2f_b:Ca-Co-O-Sc,22.0,"Invalid WP multiplicities - A6B3C12D_hR66_155_de_ac_3f_b:Ca-Co-O-Sc, expected Ca6Sc(CoO6)3 to be Ca6Sc(CoO4)3" +mp-1223157,La6Cd(SiS7)2,-6.3231401909,-2.0057546871,0.0,-0.014719212,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-La-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-La-S-Si +mp-1183291,BaErO3,-7.430702978,-3.1653510012,0.0867026415,0.0867026415,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Er-O,5.0,ABC3_cP5_221_a_b_c:Ba-Er-O +mp-1193827,BaEr2O4,-8.1212258936,-3.7153448357,0.0,-0.0051066279,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Er-O,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Er-O +mp-1104205,BaErFe4O7,-7.9626907277,-2.1939522993,0.0666399827,0.0666399827,GGA+U,I-4,ABC4D7_tI26_82_a_c_g_bfg:Ba-Er-Fe-O,13.0,ABC4D7_tI26_82_a_c_g_bfg:Ba-Er-Fe-O +mp-1214416,BaErFe4O7,-7.9387901031,-2.1700516747,0.0905406073,0.0905406073,GGA+U,F-43m,ABC4D7_cF52_216_a_c_e_bg:Ba-Er-Fe-O,13.0,ABC4D7_cF52_216_a_c_e_bg:Ba-Er-Fe-O +mp-14853,Ba3Er4O9,-7.8858570913,-3.6016071874,0.0023544006,0.0023544006,GGA,R3,A3B4C9_hR48_146_3a_4a_3b:Ba-Er-O,16.0,A3B4C9_hR48_146_3a_4a_3b:Ba-Er-O +mp-14105,AlTlO2,-6.4326802262000005,-2.4322811265,0.0174412988,0.0174412988,GGA,Fd-3m,AB2C_cF32_227_a_c_b:Al-O-Tl,8.0,AB2C_cF32_227_a_c_b:Al-O-Tl +mp-1214828,AlTl(SeO4)2,-5.9711847958,-1.5817221607,0.0477880098,0.0477880098,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:Al-O-Se-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Al-O-Se-Tl +mp-768539,AlTlO3,-6.3803607985,-2.1907037764,0.0889291161,0.0889291161,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Al-O-Tl, expected AlTlO7 to be AlTlO3" +mp-5659,Ti3SiC2,-8.740184276699999,-0.8119967658,0.0,-0.0263848183,GGA,P6_3/mmc,A2BC3_hP12_194_f_b_af:C-Si-Ti,12.0,A2BC3_hP12_194_f_b_af:C-Si-Ti +mp-1197979,Ti12AlSi3C8,-8.6505953517,-0.7923970992,0.0071035883,0.0071035883,GGA,P6_3/mmc,AB8C3D12_hP48_194_b_fk_h_afgk:Al-C-Si-Ti,48.0,"Invalid WP multiplicities - AB8C3D12_hP48_194_b_4f5k_h_2a4f2g5k:Al-C-Si-Ti, expected Ti46AlSi3C38 to be Ti12AlSi3C8" +mp-1079908,Ti2SiC,-8.3851289975,-0.7738871085,0.0184462769,0.0184462769,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Si-Ti,8.0,ABC2_hP8_194_a_c_f:C-Si-Ti +mp-1217242,Ti20(AlSi3)3,-7.42969311,-0.6179921696,0.0253252873,0.0253252873,GGA,Pm,A3B9C20_mP32_6_3a_3a6b_6a6b4c:Al-Si-Ti,32.0,"Invalid WP multiplicities - A3B9C20_mP32_6_3a_3a6b_6a6b8c:Al-Si-Ti, expected Ti28(AlSi3)3 to be Ti20(AlSi3)3" +mp-1106244,Al4SiC4,-6.2617584411,0.10738415,0.2236588768,0.2236588768,GGA,P6_3mc,A4B4C_hP18_186_2a2b_2a2b_b:Al-C-Si,18.0,A4B4C_hP18_186_2a2b_2a2b_b:Al-C-Si +mp-1214816,Al4SiC4,-6.4381827983,-0.0690402072,0.0472345196,0.0472345196,GGA,P6_3mc,A4B4C_hP18_186_a3b_2a2b_a:Al-C-Si,18.0,A4B4C_hP18_186_a3b_2a2b_a:Al-C-Si +mp-995201,Ti5Si3C,-8.0172527894,-0.7970217155,0.0,-0.0245177521,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Ti,18.0,AB3C5_hP18_193_b_g_dg:C-Si-Ti +mp-1217089,Ti2AlSi3,-6.4884043633,-0.5196520378,0.0,-0.0069619181,GGA,Amm2,AB3C2_oC12_38_a_a2b_ab:Al-Si-Ti,6.0,AB3C2_oC12_38_a_a2b_ab:Al-Si-Ti +mp-1110637,Na2LiNbF6,-5.51577221,-2.9033569801,0.1837016893,0.1837016893,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Nb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Nb +mp-1111343,NaLi2NbF6,-5.380320271,-2.7092652838,0.4173789854,0.4173789854,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Nb,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Nb +mp-1114070,Cs2TaAgF6,-5.544999289,-2.7499980708,0.1024245315,0.1024245315,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ta +mp-1110868,K2LiMoBr6,-3.994177576,-1.5648234909,0.0554885255,0.0554885255,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Mo +mp-1111788,Rb2ScAuI6,-3.323941239,-1.283179504,0.0728543742,0.0728543742,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Sc +mp-1112340,Cs2TlRhF6,-4.72621573,-2.4275527734,0.0,-0.043965891,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rh-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rh-Tl +mp-1210428,Rb3RuF12,-3.9203703538,-1.7232608308,0.41199973,0.41199973,GGA,C2/m,A12B3C_mC32_12_3j_ce_b:F-Rb-Ru,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_c:F-Rb-Ru, expected Rb3RuF40 to be Rb3RuF12" +mp-1237196,Rb3RuF12,-3.9322079119,-1.7350983889,0.4001621719,0.4001621719,GGA,C2/m,A12B3C_mC32_12_3j_ce_b:F-Rb-Ru,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_c:F-Rb-Ru, expected Rb3RuF40 to be Rb3RuF12" +mp-1205537,Rb3RuF6,-4.913620997,-2.5451331407,0.034762753,0.0130357994,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-Rb-Ru,10.0,A6B3C_aP10_2_3i_bcd_a:F-Rb-Ru +mp-1238967,Rb3RuF6,-4.914535997,-2.5460481408,0.033847753,0.0121207994,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-Rb-Ru,10.0,A6B3C_aP10_2_3i_bcd_a:F-Rb-Ru +mp-1113825,Rb3RuF6,-4.94838375,-2.5798958937,0.0,-0.0217269536,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Ru,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Ru +mp-8014,RbRuF6,-5.1704564525,-2.4549801503,0.0,-0.2210785045,GGA,R-3m,A6BC_hR24_166_h_a_b:F-Rb-Ru,8.0,A6BC_hR24_166_h_a_b:F-Rb-Ru +mp-1113936,Rb2HgRuF6,-4.552158378,-2.2513558925,0.0285006922,0.0285006922,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Ru +mp-1216225,Y(CuTe)3,-4.7165891571,-0.6888736138,0.0319565166,0.0319565166,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Te-Y,14.0,A3B3C_hR42_148_f_f_c:Cu-Te-Y +mp-1100887,Y7(CuTe4)3,-5.6856068336,-1.3545800826,0.0242859927,0.0242859927,GGA,P1,A3B12C7_aP22_1_3a_12a_7a:Cu-Te-Y,22.0,A3B12C7_aP22_1_3a_12a_7a:Cu-Te-Y +mp-1372695,Y7(CuTe4)3,-3.6602881582,0.6707385929,2.0496046681,2.0496046681,GGA,P1,A3B12C7_aP22_1_3a_12a_7a:Cu-Te-Y,22.0,A3B12C7_aP22_1_3a_12a_7a:Cu-Te-Y +mp-945184,YCuTe2,-5.3231423088,-1.1100699163,0.0128932916,0.0128932916,GGA,P2/m,AB2C_mP8_10_m_mn_bc:Cu-Te-Y,8.0,"Invalid WP multiplicities - AB2C_mP8_10_m_m2n_bc:Cu-Te-Y, expected YCuTe3 to be YCuTe2" +mp-1100868,YCuTe2,-5.31549183,-1.1024194375,0.0205437703,0.0205437703,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Te-Y,4.0,AB2C_hP4_156_a_ab_c:Cu-Te-Y +mp-675009,Y4CuTe8,-5.59300719,-1.3536580923,0.0260241939,0.0260241939,GGA,Pc,AB8C4_mP26_7_a_8a_4a:Cu-Te-Y,26.0,"Invalid WP multiplicities - AB8C4_mP26_7_a_14a_6a:Cu-Te-Y, expected Y6CuTe14 to be Y4CuTe8" +mp-1199735,CsY2CuTe4,-5.1365734256,-1.3239765704,0.0,-0.0056284938,GGA,C2/m,ABC4D2_mC96_12_3i_3i_12i_ac5i:Cs-Cu-Te-Y,48.0,ABC4D2_mC96_12_3i_3i_12i_ad5i:Cs-Cu-Te-Y +mp-1113502,Rb2ScHgI6,-3.064303389,-1.3205618175,0.0668569695,0.0668569695,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Sc +mp-28339,CaPPt,-5.6329249233,-1.1362463544,0.0,-0.1906953037,GGA,Pmc2_1,ABC_oP12_26_2b_2a_2a:Ca-P-Pt,12.0,"Invalid WP multiplicities - ABC_oP12_26_3b_4a_3a:Ca-P-Pt, expected Ca3P4Pt3 to be CaPPt" +mp-1227038,CaPPt,-5.6120686233,-1.1153900544,0.0208562999999999,-0.1698390037,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-P-Pt,3.0,ABC_hP3_187_b_c_e:Ca-P-Pt +mp-12480,ScPPt,-7.1805367117,-1.2415684011,0.0,-0.0378864431,GGA,Pnma,ABC_oP12_62_c_c_c:P-Pt-Sc,12.0,ABC_oP12_62_c_c_c:P-Pt-Sc +mp-1227341,Ca2ScP3Pt7,-6.3543918685000005,-1.0404295896,0.0,-0.0855669162,GGA,I-4m2,A2B3C7D_tI26_119_e_ce_ae2f_b:Ca-P-Pt-Sc,13.0,"Invalid WP multiplicities - A2B3C7D_tI26_119_e_ce_ae3f_b:Ca-P-Pt-Sc, expected Ca2Sc(PPt3)3 to be Ca2ScP3Pt7" +mp-1070301,UGa3Ni,-5.505498388,-0.2743314365,0.0436981507,0.0436981507,GGA,I4mm,A3BC_tI10_107_ab_a_a:Ga-Ni-U,5.0,A3BC_tI10_107_ab_a_a:Ga-Ni-U +mp-31428,UGa3Ni,-5.423347696,-0.1921807445,0.1258488427,0.1258488427,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Ni-U,5.0,"Invalid WP multiplicities - A3BC_tI10_119_a2f_b_c:Ga-Ni-U, expected UGa5Ni to be UGa3Ni" +mp-20551,GaCo2Ni,-5.8846801925,-0.1284631194,0.0796734488,0.0796734488,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Co-Ga-Ni,4.0,A2BC_tP4_123_e_a_c:Co-Ga-Ni +mp-1224797,GaCo2Ni,-5.798680515,-0.0424634419,0.1656731263,0.1656731263,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Co-Ga-Ni,4.0,A2BC_tP4_123_h_a_b:Co-Ga-Ni +mp-1018060,GaCo2Ni,-5.8890507975,-0.1328337244,0.0753028438,0.0753028438,GGA,I4/mmm,A2BC_tI8_139_d_a_b:Co-Ga-Ni,4.0,A2BC_tI8_139_d_a_b:Co-Ga-Ni +mp-1007821,GaCo2Ni,-5.869945165,-0.1137280919,0.0944084763,0.0944084763,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-Ni,4.0,A2BC_cF16_225_c_a_b:Co-Ga-Ni +mp-1093945,Ga2CoNi,-2.89954481,1.83661682,2.1768451898,2.1768451898,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Ga-Ni,4.0,AB2C_oI8_71_a_e_b:Co-Ga-Ni +mp-1224798,Ga2CoNi,-5.0543106575,-0.3181490275,0.0220793423,0.0220793423,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Co-Ga-Ni,4.0,AB2C_tP4_123_a_h_b:Co-Ga-Ni +mp-641621,U4Ga12Co,-5.4702472406,-0.2578289991,0.0088774671,0.0088774671,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Co-Ga-U,17.0,"Invalid WP multiplicities - AB12C4_cI34_229_a_3d3e_c:Co-Ga-U, expected U4Ga36Co to be U4Ga12Co" +mp-21251,UGa5Ni,-4.9268627971,-0.3251446825,0.0,-0.036293594,GGA,P4/mmm,A5BC_tP7_123_ci_b_a:Ga-Ni-U,7.0,A5BC_tP7_123_ci_b_a:Ga-Ni-U +mp-1207934,U4Ga12Ni,-5.4012279306,-0.26693799,0.0,-0.0015983371,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Ni-U,17.0,A12BC4_cI34_229_de_a_c:Ga-Ni-U +mp-1207894,U2GaCo2,-8.223837083,-0.2583267565,0.0419614422,0.0419614422,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Co-Ga-U,10.0,A2BC2_tP10_127_g_a_h:Co-Ga-U +mp-4732,UGa5Co,-5.11992236,-0.3284640861,0.0,-0.0647663808,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-U,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-U +mp-1395111,U4Ga20Ni11,-5.1696636003,-0.3322617726,0.0291739464,0.0291739464,GGA,Cm,A20B11C4_mC70_8_20a_11a_4a:Ga-Ni-U,35.0,A20B11C4_mC70_8_20a_11a_4a:Ga-Ni-U +mp-680664,U4Ga20Ni11,-5.1715553966,-0.3341535689,0.0272821501,0.0272821501,GGA,C2/m,A20B11C4_mC70_12_10i_a5i_2i:Ga-Ni-U,35.0,"Invalid WP multiplicities - A20B11C4_mC70_12_19i_a10i_3i:Ga-Ni-U, expected U6Ga38Ni21 to be U4Ga20Ni11" +mp-1078586,UGaCo,-7.4642792678,-0.3216713253,0.0,-0.0253408804,GGA,P-62m,ABC_hP9_189_ad_g_f:Co-Ga-U,9.0,ABC_hP9_189_ad_g_f:Co-Ga-U +mp-1216940,U2Ga10CoNi,-5.0240991107,-0.3275109164,0.0,-0.0007065321,GGA,P4/mmm,AB10CD2_tP14_123_a_h2i_b_g:Co-Ga-Ni-U,14.0,"Invalid WP multiplicities - AB10CD2_tP14_123_a_h8i_b_g:Co-Ga-Ni-U, expected U2Ga34CoNi to be U2Ga10CoNi" +mp-21320,UGaNi,-7.0013086022,-0.3014276981,0.0,-0.0242206261,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ni-U,9.0,ABC_hP9_189_f_bc_g:Ga-Ni-U +mp-1025787,Mo(WSe3)2,-7.3249262144,-0.9096618327,0.0838669139,0.0838669139,GGA,P3m1,AB6C2_hP9_156_a_2a4b_ab:Mo-Se-W,9.0,AB6C2_hP9_156_a_2a4b_ab:Mo-Se-W +mp-1025575,Mo(WSe3)2,-7.3249274167,-0.9096630349,0.0838657117,0.0838657117,GGA,P-6m2,AB6C2_hP9_187_a_2gh_h:Mo-Se-W,9.0,"Invalid WP multiplicities - AB6C2_hP9_187_a_3g2h_h:Mo-Se-W, expected Mo(WSe5)2 to be Mo(WSe3)2" +mp-1217897,TaMoW,-11.9732666967,-0.0860807067,0.0162543433,0.0162543433,GGA,Fmm2,ABC_oF12_42_a_a_a:Mo-Ta-W,3.0,ABC_oF12_42_a_a_a:Mo-Ta-W +mp-1097618,TaMoW2,-6.9661146025,5.1888074475,5.2722999825,5.2722999825,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Ta-W,4.0,ABC2_oI8_71_a_b_e:Mo-Ta-W +mp-1028409,Mo3WSe8,-7.0797669158,-0.9579025507,0.0630511767,0.0630511767,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-Se-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-Se-W +mp-1028420,Mo3WSe8,-7.0798417,-0.9579773349,0.0629763925,0.0629763925,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-Se-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-Se-W +mp-1028823,MoW3Se8,-7.3740525583,-0.9001081732,0.0630912567,0.0630912567,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-Se-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-Se-W +mp-1030504,MoW3Se8,-7.373919645,-0.8999752599,0.06322417,0.06322417,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-Se-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-Se-W +mp-1217821,TaWSe4,-7.4486844017,-0.9820921066,0.0205824842,0.0205824842,GGA,P-6m2,A4BC_hP6_187_hi_a_b:Se-Ta-W,6.0,"Invalid WP multiplicities - A4BC_hP6_187_2hi_a_b:Se-Ta-W, expected TaWSe6 to be TaWSe4" +mp-1028414,MoWSe4,-7.226877655,-0.9289732799,0.1252141,0.0009924975,GGA,P3m1,AB4C_hP12_156_ab_4a4b_ab:Mo-Se-W,12.0,AB4C_hP12_156_ab_4a4b_ab:Mo-Se-W +mp-1030565,MoWSe4,-7.2268759408,-0.9289715657,0.1252158142,0.0009942117,GGA,P3m1,AB4C_hP12_156_2a_4a4b_2b:Mo-Se-W,12.0,AB4C_hP12_156_2a_4a4b_2b:Mo-Se-W +mp-1023928,MoWSe4,-7.352091755,-1.0541873799,0.0,-0.1242216025,GGA,P3m1,AB4C_hP6_156_a_2a2b_b:Mo-Se-W,6.0,AB4C_hP6_156_a_2a2b_b:Mo-Se-W +mp-1028514,MoWSe4,-7.226932385,-0.9290280099,0.12515937,0.0009377675,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-Se-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-Se-W, expected MoWSe6 to be MoWSe4" +mp-1028978,MoWSe4,-7.2268192633,-0.9289148882,0.1252724917,0.0010508892,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-Se-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-Se-W, expected MoWSe6 to be MoWSe4" +mp-1221402,MoWSe4,-7.2271700333,-0.9292656582,0.1249217217,0.0007001192,GGA,P-6m2,AB4C_hP6_187_a_gh_d:Mo-Se-W,6.0,"Invalid WP multiplicities - AB4C_hP6_187_a_2gh_d:Mo-Se-W, expected MoWSe6 to be MoWSe4" +mp-1096450,TaMo2W,-6.82825377,4.79854825,4.8752995375,4.8752995375,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Ta-W,4.0,A2BC_oI8_71_e_a_b:Mo-Ta-W +mp-1097678,Ta2MoW,-6.817065915,5.062767985,5.2095293125,5.150121605,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ta-W,4.0,AB2C_oI8_71_a_e_b:Mo-Ta-W +mp-1186763,Ta2MoW,-12.0265952275,-0.1467613275,0.0,-0.0594077075,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mo-Ta-W,4.0,AB2C_cF16_225_a_c_b:Mo-Ta-W +mp-1217957,TaMo2(WSe5)2,-7.2517101147,-0.9567465756,0.1132308687,0.1132308687,GGA,P3m1,A2B10CD2_hP30_156_3ab_10a10b_2a_4b:Mo-Se-Ta-W,30.0,A2B10CD2_hP30_156_3ab_10a10b_2a_4b:Mo-Se-Ta-W +mp-1025905,Mo2WSe6,-7.1288684911,-0.9483241227,0.0837074889,0.0837074889,GGA,P3m1,A2B6C_hP9_156_ab_2a4b_a:Mo-Se-W,9.0,A2B6C_hP9_156_ab_2a4b_a:Mo-Se-W +mp-1025815,Mo2WSe6,-7.1287171989,-0.9481728305,0.0838587811,0.0838587811,GGA,P-6m2,A2B6C_hP9_187_h_2gh_a:Mo-Se-W,9.0,"Invalid WP multiplicities - A2B6C_hP9_187_h_3g2h_a:Mo-Se-W, expected Mo2WSe10 to be Mo2WSe6" +mp-1180900,KCu3PbSe4,-3.70618465,-0.2501499903,0.4073927726,0.4073927726,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-K-Pb-Se,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-K-Pb-Se +mp-1192205,KHo2Cu3Se5,-4.969505305,-1.32837857,0.0062204598,0.0062204598,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Ho-K-Se,22.0,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Ho-K-Se +mp-16559,KHo2CuSe4,-5.2792164287,-1.7344577703,0.0,-0.0680285748,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Ho-K-Se,16.0,AB2CD4_oC32_63_c_f_c_acf:Cu-Ho-K-Se +mp-1112428,K2EuAuCl6,-4.571157935,-1.8868677696,0.0906273258,0.0906273258,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Eu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Eu-K +mp-1226788,CdGeAsP,-3.9874561987,-0.0828715671,0.0086782931,0.0086782931,GGA,I2_12_12_1,ABCD_oI16_24_b_a_a_c:As-Cd-Ge-P,8.0,ABCD_oI16_24_b_a_a_c:As-Cd-Ge-P +mp-3668,CdGeP2,-4.1850710112,-0.0919403542,0.0,-0.0007175175,GGA,I-42d,ABC2_tI16_122_a_b_d:Cd-Ge-P,8.0,ABC2_tI16_122_a_b_d:Cd-Ge-P +mp-1226745,CdGeP2,-4.0470588925,0.0460717646,0.1380121187,0.1372946013,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Ge-P,4.0,ABC2_hR12_160_a_a_2a:Cd-Ge-P +mp-16268,CdGeP2,-3.591489705,0.5016409521,0.5935813062,0.5928637888,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Ge-P,4.0,ABC2_cF16_225_a_b_c:Cd-Ge-P +mp-1226754,CdAsP,-3.73243656,-0.0673330028,0.0339524975,0.0339524975,GGA,I2_12_12_1,ABC_oI12_24_a_b_c:As-Cd-P,6.0,ABC_oI12_24_a_b_c:As-Cd-P +mp-1181991,Nb6Hg(Br8O9)2,-4.860004727,-0.5965812955,1.0481066132,1.0481066132,GGA,Fd-3m,A16BC6D18_cF328_227_eg_a_f_fg:Br-Hg-Nb-O,82.0,A16BC6D18_cF328_227_eg_a_f_fg:Br-Hg-Nb-O +mp-13803,Nb2Hg2O7,-7.1999702332,-2.1602618888,0.0034250434,0.0034250434,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Hg-Nb-O,22.0,A2B2C7_cF88_227_c_d_af:Hg-Nb-O +mp-567838,La2AlNi9H,-5.6698713946,-0.3597524558,0.0373571586,0.0373571586,GGA,Pm,ABC2D9_mP13_6_a_a_c_2a3b2c:Al-H-La-Ni,13.0,"Invalid WP multiplicities - ABC2D9_mP13_6_a_a_c_2a3b3c:Al-H-La-Ni, expected La2AlNi11H to be La2AlNi9H" +mp-1191246,La2Al(Ni3H4)3,-4.5993005992,-0.1679867367,0.2119361253,0.2119361253,GGA,Cmmm,AB12C2D9_oC48_65_b_ghpq_k_cefo:Al-H-La-Ni,24.0,"Invalid WP multiplicities - AB12C2D9_oC48_65_b_2g2h2p2q_k_cefo:Al-H-La-Ni, expected La2Al(Ni3H8)3 to be La2Al(Ni3H4)3" +mp-568788,La2AlNi9H2,-5.5325793529,-0.3594170493,0.0558090194,0.0558090194,GGA,P1,AB2C2D9_aP14_1_a_2a_2a_9a:Al-H-La-Ni,14.0,AB2C2D9_aP14_1_a_2a_2a_9a:Al-H-La-Ni +mp-1079283,LaAlH6,-4.09466435,-0.4649219494,0.0,-0.0442266212,GGA,R-3m,AB6C_hR24_166_a_h_b:Al-H-La,8.0,AB6C_hR24_166_a_h_b:Al-H-La +mp-1111952,Cs2AlTlF6,-5.142430367,-3.2056406144,0.0,-0.0239858343,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Tl +mp-1199017,TlSb3F18,-4.7562864689,-2.5219106379,0.0,-0.0329765261,GGA,P-3,A18B3C_hP44_147_6g_g_d:F-Sb-Tl,44.0,A18B3C_hP44_147_6g_g_d:F-Sb-Tl +mp-29286,TlSbF4,-4.8591209458,-2.5028609031,0.0,-0.0113955792,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-Sb-Tl,24.0,A4BC_mP24_14_4e_e_e:F-Sb-Tl +mp-1208164,Tl2SbF5,-4.69485466,-2.3933943636,0.0,-0.0245465822,GGA,Cmcm,A5BC2_oC32_63_ch_c_2c:F-Sb-Tl,16.0,A5BC2_oC32_63_ch_c_2c:F-Sb-Tl +mp-1113924,Rb2TlSbF6,-4.638909463,-2.6467508293,0.0313060535,0.0313060535,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Sb-Tl +mp-8348,TlSbF6,-4.873975035,-2.628910261,0.0,-0.1732644715,GGA,R-3m,A6BC_hR24_166_h_a_b:F-Sb-Tl,8.0,A6BC_hR24_166_h_a_b:F-Sb-Tl +mp-1227332,Bi2BrClO2,-5.1429516383,-1.6469648596000002,0.0095672467,0.0095672467,GGA,P4mm,A2BCD2_tP6_99_ab_a_b_c:Bi-Br-Cl-O,6.0,A2BCD2_tP6_99_ab_a_b_c:Bi-Br-Cl-O +mp-602551,EuTl(MoO4)2,-8.3493655998,-2.1923276951,0.0,-0.0153448717,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Eu-Mo-O-Tl,48.0,"Invalid WP multiplicities - AB2C8D_oP48_60_c_d_26d_c:Eu-Mo-O-Tl, expected EuTl(MoO26)2 to be EuTl(MoO4)2" +mp-510531,EuTl(MoO4)2,-8.3418446267,-2.1848067219,0.0075209731,-0.0078238985,GGA+U,P4/nnc,AB2C8D_tP24_126_a_d_k_b:Eu-Mo-O-Tl,24.0,AB2C8D_tP24_126_a_d_k_b:Eu-Mo-O-Tl +mp-754253,EuTlO2,-7.8482932975,-2.2200377052,0.0783447755,0.0783447755,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-O-Tl,4.0,AB2C_hR12_166_a_c_b:Eu-O-Tl +mp-1221703,MnCd2S3,-4.748043315,-0.8451859129,0.0114743542,0.0114743542,GGA,Cm,A2BC3_mC24_8_4a_2a_6a:Cd-Mn-S,12.0,A2BC3_mC24_8_4a_2a_6a:Cd-Mn-S +mp-1221772,MnCd4S5,-4.2195558965,-0.8659735299,0.001558572,0.001558572,GGA,Cm,A4BC5_mC40_8_2a3b_b_2a4b:Cd-Mn-S,20.0,"Invalid WP multiplicities - A4BC5_mC40_8_2a4b_b_2a6b:Cd-Mn-S, expected MnCd5S7 to be MnCd4S5" +mp-1221777,MnCd4S5,-4.2089169945,-0.8553346279,0.012197474,0.012197474,GGA,Cm,A4BC5_mC40_8_8a_2a_10a:Cd-Mn-S,20.0,A4BC5_mC40_8_8a_2a_10a:Cd-Mn-S +mp-1221678,MnCd4S5,-4.202971346,-0.8493889794,0.0181431225,0.0181431225,GGA,R3m,A4BC5_hR30_160_4a_a_5a:Cd-Mn-S,10.0,A4BC5_hR30_160_4a_a_5a:Cd-Mn-S +mp-1221813,MnCr4CdS8,-6.8255669579,-0.9835173959,0.0036773507,0.0036773507,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Mn-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Mn-S +mp-1221768,Mn4CdS5,-6.532269182,-0.7069491557,0.1116596895,0.1116596895,GGA,I4/m,AB4C5_tI20_87_a_h_bh:Cd-Mn-S,10.0,"Invalid WP multiplicities - AB4C5_tI20_87_a_h_b2h:Cd-Mn-S, expected Mn4CdS9 to be Mn4CdS5" +mp-1221706,Mn4CdS5,-6.549396522,-0.7240764957,0.0945323495,0.0945323495,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Cd-Mn-S,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:Cd-Mn-S, expected Mn6CdS9 to be Mn4CdS5" +mp-1221643,MnCdS2,-5.4116471925,-0.822195996,0.0208744775,0.0208744775,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cd-Mn-S,4.0,ABC2_hP4_156_a_b_ab:Cd-Mn-S +mp-1221632,MnCdS2,-5.41108987,-0.8216386735000001,0.0214317999999999,0.0214317999999999,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Mn-S,4.0,ABC2_hR12_160_a_a_2a:Cd-Mn-S +mp-1190807,Nd3MnGaS7,-6.4488263975,-1.8280178408,0.0,-0.0080238282,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Ga-Mn-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Ga-Mn-Nd-S +mp-1048854,HoZn(SnO3)2,-6.695753323,-2.3416104772,0.1633380498,0.1633380498,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Ho-O-Sn-Zn,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_4a4b_b_a:Ho-O-Sn-Zn, expected HoZn(SnO6)2 to be HoZn(SnO3)2" +mp-1212106,HoZnSn,-3.856433285,-0.5725251733,0.0,-0.0537984165,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ho-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Ho-Sn-Zn +mp-1079397,HoZnSn2,-3.9021934225,-0.436869375,0.0129420438,0.0129420438,GGA,P4/nmm,AB2C_tP8_129_c_ac_b:Ho-Sn-Zn,8.0,AB2C_tP8_129_c_ac_b:Ho-Sn-Zn +mp-1111363,Li2FeAgF6,-4.895928328,-2.2369986528,0.3518207482,0.3518207482,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-Li +mp-1041080,HoMgMn2O6,-8.074947082,-2.6562619048,0.0834482466,0.0834482466,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ho-Mg-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_31_a_a_b_4a4b:Ho-Mg-Mn-O, expected HoMgMn2O12 to be HoMgMn2O6" +mp-1112068,K2GdAuCl6,-5.0637992,-1.9975969906,0.1460922449,0.1460922449,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Gd-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Gd-K +mp-1225926,CsGaCuF6,-4.8071656939,-2.6414347084000003,0.0,-0.0144906171,GGA,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Ga,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Ga, expected CsGaCuF12 to be CsGaCuF6" +mp-1209934,Pr4NiS7,-6.3884279725,-1.9001855752,0.1671320951,0.1671320951,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Ni-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Ni-Pr-S +mp-1191447,Pr3AlNiS7,-6.2482441225,-1.8462792189,0.0306412216,0.0306412216,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Ni-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Ni-Pr-S +mp-1220043,Pr9Al5S21,-6.2756498050000005,-2.0293218579,0.0,-0.0298093575,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Pr-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Pr-S, expected Pr24Al5S51 to be Pr9Al5S21" +mp-1111234,K2NaGdCl6,-5.288663045,-2.4175965063,0.039368113,0.039368113,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Na +mp-1111131,K2NaAuCl6,-3.310042308,-1.5191997933,0.1475506895,0.1475506895,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Na +mp-1212151,HoTa5Ag2O15,-9.246896668,-2.997473203,0.0515132243,0.0515132243,GGA,P4/mbm,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Ho-O-Ta,46.0,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Ho-O-Ta +mp-973019,LiSm(CuP)2,-5.0757083917,-0.8002871658,0.0,-0.0643448236,GGA,P-3m1,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Sm,6.0,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Sm +mp-1112225,Rb2InHgF6,-4.204063703,-2.5555330985,0.0852707895,0.0852707895,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-Rb +mp-752475,Rb2Ga2Ge3O10,-6.3267044032,-2.1294555287,0.1061817294,0.0492248592,GGA,C2,A2B3C10D2_mC68_5_2c_ab2c_10c_2c:Ga-Ge-O-Rb,34.0,"Invalid WP multiplicities - A2B3C10D2_mC68_5_3c_ab4c_19c_3c:Ga-Ge-O-Rb, expected Rb3Ga3Ge5O19 to be Rb2Ga2Ge3O10" +mp-1186921,Rb2Ga2Ge3O10,-6.4328861326,-2.2356372581,0.0,-0.0569568702,GGA,C2,A2B3C10D2_mC68_5_2c_ab2c_10c_2c:Ga-Ge-O-Rb,34.0,A2B3C10D2_mC68_5_2c_ab2c_10c_2c:Ga-Ge-O-Rb +mp-1222955,LaPrCr2O6,-9.027316104,-3.1570020973,0.004357632,0.004357632,GGA+U,Pmc2_1,A2BC6D_oP20_26_c_a_ab2c_b:Cr-La-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_26_c_a_ab3c_b:Cr-La-O-Pr, expected LaPrCr2O8 to be LaPrCr2O6" +mp-1208684,SrCa2(TeO3)3,-6.3751232833,-2.3984026637,0.0028216775,0.0028216775,GGA,P2_1,A2B9CD3_mP30_4_2a_9a_a_3a:Ca-O-Sr-Te,30.0,A2B9CD3_mP30_4_2a_9a_a_3a:Ca-O-Sr-Te +mp-11982,Sr2CaTeO6,-6.625893287,-2.8050907922,0.0,-0.0339769563,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ca-O-Sr-Te,20.0,AB6C2D_mP20_14_a_3e_e_b:Ca-O-Sr-Te +mp-1247517,ZrCrAgS4,-6.3598828643,-0.991439497,0.2186876967,0.2186876967,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Cr-S-Zr,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Cr-S-Zr +mp-1246366,ZrCrAgS4,-6.5558070229,-1.1873636556,0.0227635381,0.0227635381,GGA,P2,ABC4D_mP14_3_2b_ac_4e_ac:Ag-Cr-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mP14_3_2b_ac_8e_ac:Ag-Cr-S-Zr, expected ZrCrAgS8 to be ZrCrAgS4" +mp-1246979,ZrCrAgS4,-6.4644614993000005,-1.096018132,0.1141090617,0.1141090617,GGA,Pm,ABC4D_mP28_6_2a2b_3ab_8a8b_a3b:Ag-Cr-S-Zr,28.0,ABC4D_mP28_6_2a2b_3ab_8a8b_a3b:Ag-Cr-S-Zr +mp-1246416,ZrCrAgS4,-6.5519874393,-1.183544072,0.0265831217,0.0265831217,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Ag-Cr-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mC14_8_a_a_8a_a:Ag-Cr-S-Zr, expected ZrCrAgS8 to be ZrCrAgS4" +mp-1246815,ZrCrAgS4,-6.553743545,-1.1853001777,0.024827016,0.024827016,GGA,P2/m,ABC4D_mP7_10_c_a_mn_e:Ag-Cr-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mP7_10_a_c_2mn_e:Ag-Cr-S-Zr, expected ZrCrAgS6 to be ZrCrAgS4" +mp-1247190,ZrCrAgS4,-6.5507633093,-1.182319942,0.0278072517,0.0278072517,GGA,P2/m,ABC4D_mP14_10_ce_m_2m2n_n:Ag-Cr-S-Zr,14.0,ABC4D_mP14_10_ae_m_2m2n_n:Ag-Cr-S-Zr +mp-1247002,ZrCrAgS4,-6.527931925,-1.1594885577,0.050638636,0.050638636,GGA,P2_1/m,ABC4D_mP14_11_e_e_4e_e:Ag-Cr-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_mP14_11_e_e_6e_e:Ag-Cr-S-Zr, expected ZrCrAgS6 to be ZrCrAgS4" +mp-1246342,ZrCrAgS4,-6.4746223671,-1.1061789999,0.1039481938,0.1039481938,GGA,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:Ag-Cr-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_26_2ab_2b_5a7b_2a:Ag-Cr-S-Zr, expected Zr2Cr2(AgS4)3 to be ZrCrAgS4" +mp-1239237,ZrCrAgS4,-6.4698163046,-1.1013729374,0.1087542563,0.1087542563,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:Ag-Cr-S-Zr,28.0,ABC4D_oP28_62_c_c_4c_c:Ag-Cr-S-Zr +mp-1247010,ZrCrAgS4,-6.469284275,-1.1008409077,0.109286286,0.109286286,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Ag-Cr-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_4a_2a_16a_2a:Ag-Cr-S-Zr, expected ZrCr(AgS4)2 to be ZrCrAgS4" +mp-1247013,ZrCrAgS4,-6.4761041675,-1.1076608002,0.1024663935,0.1024663935,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Ag-Cr-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_4a_2a_16a_2a:Ag-Cr-S-Zr, expected ZrCr(AgS4)2 to be ZrCrAgS4" +mp-1246994,ZrCrAgS4,-6.5710086743,-1.202565307,0.0075618867,0.0075618867,GGA,Ima2,ABC4D_oI28_46_b_a_2bc_b:Ag-Cr-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oI28_46_b_a_8b5c_b:Ag-Cr-S-Zr, expected ZrCrAgS18 to be ZrCrAgS4" +mp-1247006,ZrCrAgS4,-6.5222197739,-1.1537764067,0.056350787,0.056350787,GGA,Pmmn,ABC4D_oP28_59_ab_e_2eg_c:Ag-Cr-S-Zr,28.0,ABC4D_oP28_59_ab_e_2eg_c:Ag-Cr-S-Zr +mp-1246425,ZrCrAgS4,-6.5705915357,-1.2021481685,0.0079790252,0.0079790252,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Ag-Cr-S-Zr,28.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_8h8i_c:Ag-Cr-S-Zr, expected ZrCrAgS32 to be ZrCrAgS4" +mp-1247739,ZrCrS4,-7.0833132008,-1.2922219396,0.1093055971,0.1093055971,GGA,Imma,AB4C_oI24_74_a_hi_c:Cr-S-Zr,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2hi_c:Cr-S-Zr, expected ZrCrS6 to be ZrCrS4" +mp-17340,Nd4MnSe6O,-6.7084468612,-2.1953833113,0.0,-0.0401684497,GGA+U,P6_3mc,AB4CD6_hP24_186_a_bc_b_2c:Mn-Nd-O-Se,24.0,AB4CD6_hP24_186_a_bc_b_2c:Mn-Nd-O-Se +mp-8261,Ba3Yb4O9,-6.2947678238,-2.7675455524,0.2148041988,0.2148041988,GGA,R3,A3B9C4_hR48_146_3a_3b_4a:Ba-O-Yb,,A3B9C4_hR48_146_3a_3b_4a:Ba-O-Yb +mp-1104197,BaYbFe4O7,-7.6582854262,-2.122478577,0.0173748423,0.0173748423,GGA+U,C2,AB4C7D_mC26_5_a_2c_a2b2c_b:Ba-Fe-O-Yb,,AB4C7D_mC26_5_a_2c_a2b2c_b:Ba-Fe-O-Yb +mp-1104863,BaYbFe4O7,-7.6324220977,-2.0966152486,0.0432381708,0.0432381708,GGA+U,I-4,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Yb,,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Yb +mp-1214187,BaYbFe4O7,-7.5974419969,-2.0616351478,0.0782182715,0.0782182715,GGA+U,F-43m,AB4C7D_cF52_216_a_e_bg_c:Ba-Fe-O-Yb,,AB4C7D_cF52_216_a_e_bg_c:Ba-Fe-O-Yb +mp-754422,BaYb2O4,-6.3345310586,-2.7938244379,0.21110687,0.21110687,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Yb,,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ba-O-Yb, expected BaYb5O13 to be BaYb2O4" +mp-754383,BaYb2O4,-6.3040495964,-2.7633429757,0.2415883321,0.2415883321,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Ba-O-Yb,,AB4C2_tI28_141_a_h_d:Ba-O-Yb +mp-1183406,BaYbO3,-6.135170526,-2.4754406552,0.279323518,0.279323518,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Yb,,AB3C_cP5_221_a_c_b:Ba-O-Yb +mp-22613,Nb3FeS6,-7.6652156515,-1.3059520984,0.0,-0.0146886607,GGA,P6_322,AB3C6_hP20_182_c_af_i:Fe-Nb-S,20.0,AB3C6_hP20_182_c_af_i:Fe-Nb-S +mp-1225204,Fe3(Se2S)2,-5.9950392033,-0.698749284,0.030431645,0.030431645,GGA,Pm,A3B2C4_mP18_6_3a3b_4a_2a6b:Fe-S-Se,18.0,A3B2C4_mP18_6_3a3b_4a_2a6b:Fe-S-Se +mp-1225163,Fe2SeS,-6.4928738825,-0.3497729414,0.2831439162,0.2831439162,GGA,P-6m2,A2BC_hP4_187_i_a_d:Fe-S-Se,4.0,A2BC_hP4_187_i_a_d:Fe-S-Se +mp-1220569,Nb4FeS8,-7.6064495277,-1.3013079658,0.0230647908,0.016501619,GGA,C2/m,AB4C8_mC26_12_a_2i_4i:Fe-Nb-S,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_4i_6i:Fe-Nb-S, expected Nb8FeS12 to be Nb4FeS8" +mp-1193686,Nb4FeS8,-7.6295143185,-1.3243727565,0.0,-0.0065631718,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Fe-Nb-S,26.0,AB4C8_hP26_194_a_bh_fk:Fe-Nb-S +mp-1220747,Nb3Fe(Se4S)2,-6.3565821714,-0.9984301796,0.0171151215,0.0171151215,GGA,Pm,AB3C2D8_mP14_6_a_a2b_ab_4a4b:Fe-Nb-S-Se,14.0,AB3C2D8_mP14_6_a_a2b_ab_4a4b:Fe-Nb-S-Se +mp-1193958,Nb2FeS4,-7.3303340725,-0.87055825,0.3732056532,0.3732056532,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Fe-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Fe-Nb-S +mp-1210649,Nb2FeS4,-7.4394355443,-0.9796597218,0.2641041814,0.2641041814,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Fe-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Fe-Nb-S +mp-1220734,Nb2FeS4,-7.61818376,-1.1584079375,0.0853559657,0.0853559657,GGA,P-3m1,AB2C4_hP7_164_a_c_2d:Fe-Nb-S,7.0,AB2C4_hP7_164_a_c_2d:Fe-Nb-S +mp-559560,Nd2Ti3(ClO4)2,-8.5988829048,-3.4993259765,0.0,-0.0091841628,GGA,Pbcn,A2B2C8D3_oP60_60_d_d_4d_cd:Cl-Nd-O-Ti,60.0,"Invalid WP multiplicities - A2B2C8D3_oP60_60_d_d_23d_4c4d:Cl-Nd-O-Ti, expected NdTi6ClO23 to be Nd2Ti3(ClO4)2" +mp-1210034,Nd3TiCl5O4,-7.1690964435,-3.2283754851,0.0312325084,0.0312325084,GGA,Pnma,A5B3C4D_oP52_62_5c_3c_4c_c:Cl-Nd-O-Ti,52.0,A5B3C4D_oP52_62_5c_3c_4c_c:Cl-Nd-O-Ti +mp-30110,SrLaI4,-3.9248290567,-1.8383347303,0.0160101754,0.0160101754,GGA,C2/c,A4BC_mC24_15_2f_e_e:I-La-Sr,12.0,A4BC_mC24_15_2f_e_e:I-La-Sr +mp-772160,SrLaI5,-3.8308664871,-1.8319618717,0.0914221318,0.0914221318,GGA,Cc,A5BC_mC28_9_5a_a_a:I-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mC28_9_10a_a_a:I-La-Sr, expected SrLaI10 to be SrLaI5" +mp-755393,SrLaI5,-3.8751774936,-1.8762728781,0.0471111254,0.0471111254,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:I-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:I-La-Sr, expected SrLaI9 to be SrLaI5" +mp-755705,SrLaI5,-3.8945935064,-1.895688891,0.0276951125,0.0276951125,GGA,P2_1/m,A5BC_mP14_11_5e_e_e:I-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mP14_11_9e_e_e:I-La-Sr, expected SrLaI9 to be SrLaI5" +mp-1101331,SrLaI5,-3.8305057843,-1.8316011688,0.0917828346,0.0917828346,GGA,C2/c,A5BC_mC28_15_e2f_e_e:I-La-Sr,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e7f_e_e:I-La-Sr, expected SrLaI16 to be SrLaI5" +mp-1101687,Sr9La5I33,-3.7503385946,-1.8672201657,0.0746888572,0.0746888572,GGA,P-1,A33B5C9_aP94_2_33i_5i_9i:I-La-Sr,94.0,"Invalid WP multiplicities - A33B5C9_aP94_2_65i_9i_17i:I-La-Sr, expected Sr17La9I65 to be Sr9La5I33" +mp-772032,Sr2LaI7,-3.7312876455,-1.8684317993,0.076719102,0.076719102,GGA,P2_1,A7BC2_mP40_4_14a_2a_4a:I-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_mP40_4_27a_3a_7a:I-La-Sr, expected Sr7(LaI9)3 to be Sr2LaI7" +mp-772022,Sr2LaI7,-3.728999786,-1.8661439398,0.0790069615,0.0790069615,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:I-La-Sr,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_21e_e_7e:I-La-Sr, expected Sr7LaI21 to be Sr2LaI7" +mp-772074,Sr3LaI9,-3.7132370202,-1.9236382037,0.033233335,0.033233335,GGA,Pc,A9BC3_mP52_7_18a_2a_6a:I-La-Sr,52.0,"Invalid WP multiplicities - A9BC3_mP52_7_34a_4a_12a:I-La-Sr, expected Sr6La2I17 to be Sr3LaI9" +mp-567419,SrLa6OsI12,-4.672812834,-1.6621478483,0.0,-0.0082155199,GGA,R-3,A12B6CD_hR60_148_2f_f_a_b:I-La-Os-Sr,20.0,"Invalid WP multiplicities - A12B6CD_hR60_148_5f_f_a_b:I-La-Os-Sr, expected SrLa6OsI30 to be SrLa6OsI12" +mp-1112611,Cs2InAuF6,-4.385443309,-2.4569188811,0.1050944884,0.1050944884,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-In,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-In +mp-1112074,K2DyAuCl6,-4.122067574,-2.0027989046,0.1397813679,0.1397813679,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Dy-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Dy-K +mp-1111168,Na2InHgF6,-4.067647218,-2.3507183693,0.2811747762,0.2811747762,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-Na +mp-1111134,K2ScTlCl6,-4.366953059,-2.1662400484,0.0582019493,0.0582019493,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Sc-Tl +mp-866150,LiSm2Os,-5.7823496575,-0.1389840158,0.0,-0.0166506592,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Os-Sm,4.0,ABC2_cF16_225_a_b_c:Li-Os-Sm +mp-12448,LiSm2OsO6,-8.0690573785,-2.8436978951,0.0,-0.0246307863,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Li-O-Os-Sm,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_4e_b_e:Li-O-Os-Sm, expected LiSm2OsO8 to be LiSm2OsO6" +mp-504563,BaFe2Se3,-5.9327710471,-1.0416457483,0.0582206863,0.0582206863,GGA,Pnma,AB2C3_oP24_62_c_d_3c:Ba-Fe-Se,24.0,AB2C3_oP24_62_c_d_3c:Ba-Fe-Se +mp-1102153,BaFe2Se3,-5.9301228083,-1.0389975095,0.060868925,0.060868925,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Ba-Fe-Se,12.0,AB2C3_oC24_63_c_e_cg:Ba-Fe-Se +mp-567429,Ba3Fe3Se7,-5.5977140946,-1.317839572,0.0470370904,0.0470370904,GGA,P6_3mc,A3B3C7_hP26_186_c_c_b2c:Ba-Fe-Se,26.0,"Invalid WP multiplicities - A3B3C7_hP26_186_c_c_b9c:Ba-Fe-Se, expected Ba3Fe3Se28 to be Ba3Fe3Se7" +mp-1191973,Ba2FeSe3,-5.2353819842,-1.4360977303,0.2557163775,0.2557163775,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Ba-Fe-Se,24.0,A2BC3_oP24_62_2c_c_3c:Ba-Fe-Se +mp-1195255,Ba4Fe3Se10,-5.3353759776,-1.3327243208,0.0965431432,0.0965431432,GGA,P2_1/c,A4B3C10_mP34_14_2e_ae_5e:Ba-Fe-Se,34.0,A4B3C10_mP34_14_2e_ae_5e:Ba-Fe-Se +mp-1229328,Ba9(FeSe4)4,-5.2786781755,-1.5860766947,0.0743026922,0.0743026922,GGA,C2,A9B4C16_mC116_5_ab8c_4c_ab15c:Ba-Fe-Se,58.0,A9B4C16_mC116_5_ab8c_4c_ab15c:Ba-Fe-Se +mp-1077893,Ba(FeSe2)2,-5.65336683,-0.9615577913,0.123086775,0.123086775,GGA,I4/m,AB2C4_tI14_87_a_d_h:Ba-Fe-Se,7.0,AB2C4_tI14_87_a_d_h:Ba-Fe-Se +mp-1223659,KBa(Fe2Se3)2,-5.7073054546,-0.8835614885,0.0479188724,0.0479188724,GGA,Pmc2_1,AB4CD6_oP24_26_a_2c_b_3a3b:Ba-Fe-K-Se,24.0,"Invalid WP multiplicities - AB4CD6_oP24_26_a_3c_b_3a3b:Ba-Fe-K-Se, expected KBa(FeSe)6 to be KBa(Fe2Se3)2" +mp-1180277,NaAu(Cl2O)2,-3.3198662009,-0.5843747814,0.4340866153,0.4340866153,GGA,Pnma,AB4CD2_oP32_62_c_4c_c_d:Au-Cl-Na-O,32.0,AB4CD2_oP32_62_c_4c_c_d:Au-Cl-Na-O +mp-1205864,Y2CdCu2,-4.711603748,-0.3007546827,0.0,-0.001823122,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Cu-Y,10.0,AB2C2_tP10_127_a_g_h:Cd-Cu-Y +mp-1096711,YCdCu2,-2.1789986775,1.7179448758,1.9701266908,1.9701266908,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Cu-Y,4.0,AB2C_oI8_71_a_e_b:Cd-Cu-Y +mp-1178729,YCdCu3Se4,-4.4833911778,-0.7422104229,0.1917183618,0.1917183618,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-Y,9.0,AB3C4D_cP9_215_a_c_e_b:Cd-Cu-Se-Y +mp-1226623,CeNd4Zr3O14,-9.2835072777,-3.8333971535,0.014600621,0.014600621,GGA,R-3m,AB4C14D3_hR66_166_a_be_c2h_d:Ce-Nd-O-Zr,22.0,"Invalid WP multiplicities - AB4C14D3_hR66_166_a_be_c9h_d:Ce-Nd-O-Zr, expected CeNd4Zr3O56 to be CeNd4Zr3O14" +mp-766286,Bi8Rh8O27,-6.6387365819,-1.4480628329,0.0092444203,0.0092444203,GGA,R3m,A8B27C8_hR129_160_2a2b_3a8b_2a2b:Bi-O-Rh,43.0,"Invalid WP multiplicities - A8B27C8_hR129_160_2a3b_3a22b_2a2b:Bi-O-Rh, expected Bi11Rh8O69 to be Bi8Rh8O27" +mp-559631,Bi6Rh12O29,-6.7408247116,-1.3180885021,0.0246071562,0.0246071562,GGA,C2/m,A6B29C12_mC188_12_2i2j_7i11j_e2h3i3j:Bi-O-Rh,94.0,"Invalid WP multiplicities - A6B29C12_mC188_12_4i5j_13i43j_2e4g6i10j:Bi-O-Rh, expected Bi14Rh32O99 to be Bi6Rh12O29" +mp-760121,Bi12Rh12O41,-6.6486187882,-1.4598218472,0.0013615239,0.0013615239,GGA,Imm2,A12B41C12_oI130_44_3cde_2a3b6c6e_3cde:Bi-O-Rh,65.0,"Invalid WP multiplicities - A12B41C12_oI130_44_6c2d3e_2a3b12c20e_6cd2e:Bi-O-Rh, expected Bi28Rh22O109 to be Bi12Rh12O41" +mp-686044,Bi12Rh12O41,-6.6396407678,-1.4508438269,0.0103395443,0.0103395443,GGA,P3m1,A12B41C12_hP195_156_3a3b3c9d_4a5b6c36d_3a3b3c9d:Bi-O-Rh,195.0,"Invalid WP multiplicities - A12B41C12_hP195_156_3a3b3c23d_4a5b6c107d_3a3b3c19d:Bi-O-Rh, expected Bi13Rh11O56 to be Bi12Rh12O41" +mp-573119,BiRhO3,-6.5665035535000005,-1.3575309268,0.0619841774,0.0619841774,GGA,Pnma,AB3C_oP20_62_c_cd_a:Bi-O-Rh,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c3d_a:Bi-O-Rh, expected BiRhO9 to be BiRhO3" +mp-555225,Bi2Rh2O7,-6.6538880541,-1.4687594197,0.0,-0.0256416704,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Rh,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Bi-O-Rh, expected BiRhO7 to be Bi2Rh2O7" +mp-1227633,Be3Bi(RhO2)9,-7.0165326439,-1.5204715033,0.0195520111,0.0195520111,GGA,R-3,A3BC18D9_hR186_148_f_c_6f_3f:Be-Bi-O-Rh,62.0,"Invalid WP multiplicities - A3BC18D9_hR186_148_f_c_32f_16f:Be-Bi-O-Rh, expected Be3Bi(RhO2)48 to be Be3Bi(RhO2)9" +mp-1018742,LaNi2Rh3,-6.7932810167,-0.3617470042,0.0,-0.0111847725,GGA,P6/mmm,AB2C3_hP6_191_a_c_g:La-Ni-Rh,6.0,AB2C3_hP6_191_a_c_g:La-Ni-Rh +mp-5163,LaRhO3,-7.973849524,-2.5457733023,0.0,-0.0594087501,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Rh,20.0,AB3C_oP20_62_c_cd_a:La-O-Rh +mp-1222858,LaNi4Rh,-6.2202816133,-0.3168046642,0.0,-0.0039199508,GGA,Cmmm,AB4C_oC12_65_a_fg_c:La-Ni-Rh,6.0,AB4C_oC12_65_a_fg_c:La-Ni-Rh +mp-636519,Ni(RhO2)2,-6.8032748079,-1.04677377,0.0855913804,0.0855913804,GGA+U,I4_1/amd,AB4C2_tI28_141_a_h_d:Ni-O-Rh,14.0,AB4C2_tI28_141_a_h_d:Ni-O-Rh +mp-19307,Ni(RhO2)2,-6.7110639286,-0.9545628907,0.1778022596,0.1778022596,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Ni-O-Rh,14.0,AB4C2_tI28_141_a_h_d:Ni-O-Rh +mp-1223214,La2NiRhO6,-7.8426049255,-2.5729458227,0.0,-0.0258074199,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Ni-O-Rh,40.0,A2BC6D_mP20_14_e_a_3e_b:La-Ni-O-Rh +mp-1222896,LaNi3Rh2,-6.51156502,-0.3440595392,0.0,-0.0004732883,GGA,Cmmm,AB3C2_oC12_65_a_cg_f:La-Ni-Rh,6.0,AB3C2_oC12_65_a_cg_f:La-Ni-Rh +mp-1018743,LaNi3Rh2,-6.4466806617,-0.2791751808,0.0648843583,0.06441107,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:La-Ni-Rh,6.0,AB3C2_hP6_191_a_g_c:La-Ni-Rh +mp-6270,Ba2LiReO6,-7.529896314,-2.7427430941,0.0,-0.0761210155,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Re +mp-1212436,Ho3Sc2Al3O12,-8.6779381834,-3.8274803411,0.0,-0.0049780231,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Al-Ho-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Al-Ho-O-Sc +mp-4891,HoAlO3,-8.3899782775,-3.7563681108,0.0156946146,0.0156946146,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Ho-O,20.0,ABC3_oP20_62_a_c_cd:Al-Ho-O +mp-14388,Ho3Al5O12,-8.2982391568,-3.706470642,0.0,-0.0323659629,GGA,Ia-3d,A5B3C12_cI160_230_ad_c_h:Al-Ho-O,80.0,A5B3C12_cI160_230_ad_c_h:Al-Ho-O +mp-1212327,Ho4Al2O9,-8.5295430515,-3.8401440154,0.0193748212,0.0193748212,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:Al-Ho-O,60.0,A2B4C9_mP60_14_2e_4e_9e:Al-Ho-O +mp-1184820,HoScAl2,-5.0084495375,-0.4069421287,0.0234108041,0.0234108041,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ho-Sc,4.0,A2BC_cF16_225_c_a_b:Al-Ho-Sc +mp-1211723,La(Cu2P)2,-5.136745639,-0.5425400964,0.0,-0.0193627739,GGA,Pnnm,A4BC2_oP42_58_6g_ag_3g:Cu-La-P,42.0,A4BC2_oP42_58_6g_ag_3g:Cu-La-P +mp-1093834,La2ZnCu,-1.8053410275,2.002400095,2.2445174575,2.2445174575,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-La-Zn,4.0,AB2C_oI8_71_a_e_b:Cu-La-Zn +mp-15277,La5Cu19P12,-5.1913116083,-0.5378507101000001,0.0,-0.006079601,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Cu-La-P,36.0,"Invalid WP multiplicities - A19B5C12_hP36_189_afg3j2k_cg_3f2k:Cu-La-P, expected La5Cu37P21 to be La5Cu19P12" +mp-1223296,La6ZnCu,-4.342855915,0.0290181987,0.15007688,0.15007688,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Cu-La-Zn,8.0,AB6C_tP8_123_a_cdi_b:Cu-La-Zn +mp-1222744,LaZnCuP2,-5.008264008,-0.7839515283,0.0,-0.0374819376,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Cu-La-P-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Cu-La-P-Zn +mp-1105256,LaCu4P3,-5.1884619475,-0.4918692844,0.0031311364,0.0031311364,GGA,P4/nmm,A4BC3_tP16_129_j_c_cf:Cu-La-P,16.0,A4BC3_tP16_129_j_c_cf:Cu-La-P +mp-1211229,La(ZnP)3,-4.1886001086,-0.6235793293,0.0,-0.0409933225,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:La-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:La-P-Zn +mp-756423,Li2Co3BiO8,-6.4700688921000005,-1.5731547537,0.0030284738,0.0030284738,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Bi-Co-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Bi-Co-Li-O, expected Li2Co3BiO22 to be Li2Co3BiO8" +mp-1225159,Er2CrSbO7,-8.2915349736,-3.0602343092,0.0,-0.0178681991,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Cr-Er-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Cr-Er-O-Sb, expected Er2CrSbO13 to be Er2CrSbO7" +mp-1190770,Ce2Fe2S5,-6.9664544083,-1.4677355123,0.1627072572,0.1627072572,GGA,Cmc2_1,A2B2C5_oC36_36_2a_2a_5a:Ce-Fe-S,,A2B2C5_oC36_36_2a_2a_5a:Ce-Fe-S +mp-1214220,Ce2Fe2S5,-7.02143206,-1.522713164,0.1077296056,0.1077296056,GGA,Cmc2_1,A2B2C5_oC36_36_2a_2a_5a:Ce-Fe-S,18.0,A2B2C5_oC36_36_2a_2a_5a:Ce-Fe-S +mp-16532,BaCe2FeS5,-6.6580704283,-1.8872455623,0.0925581389,0.0925581389,GGA,I4/mcm,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Fe-S,18.0,AB2CD5_tI36_140_a_h_b_cl:Ba-Ce-Fe-S +mp-1222843,LaTb3(Mo2O7)2,-8.9032010109,-2.9270488381,0.0,-0.0177809958,GGA+U,R-3m,AB4C14D3_hR66_166_a_be_c2h_d:La-Mo-O-Tb,22.0,"Invalid WP multiplicities - AB4C14D3_hR66_166_a_be_c9h_d:La-Mo-O-Tb, expected LaTb3(MoO14)4 to be LaTb3(Mo2O7)2" +mp-755226,La2Tb2O7,-8.3707140823,-3.4827534106,0.0896329219,0.0896329219,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Tb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:La-O-Tb, expected LaTbO10 to be La2Tb2O7" +mp-1022132,Mg6FeSb,-2.7121665112,0.0629213325,0.2152305146,0.2152305146,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Sb, expected Mg12FeSb to be Mg6FeSb" +mp-1022130,Mg6FeSb,-2.6862993331,0.0887885106,0.2410976928,0.2410976928,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Sb, expected Mg12FeSb to be Mg6FeSb" +mp-2218992,MgFe4(SbS)4,-5.6857681215,-0.4132935587,0.2737269637,0.2737269637,GGA,P1,A4BC4D4_aP13_1_4a_a_4a_4a:Fe-Mg-S-Sb,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:Fe-Mg-S-Sb +mp-2218956,MgFe4(SbS)4,-5.6494303169,-0.376955754,0.3100647683,0.3100647683,GGA,P-1,A4BC4D4_aP13_2_2i_a_2i_2i:Fe-Mg-S-Sb,13.0,"Invalid WP multiplicities - A4BC4D4_aP13_2_4i_a_2i_2i:Fe-Mg-S-Sb, expected MgFe8(SbS)4 to be MgFe4(SbS)4" +mp-2219387,MgFe4(SbS)4,-5.6849633369,-0.412488774,0.2745317483,0.2745317483,GGA,P-1,A4BC4D4_aP13_2_2i_a_2i_2i:Fe-Mg-S-Sb,13.0,"Invalid WP multiplicities - A4BC4D4_aP13_2_4i_a_2i_2i:Fe-Mg-S-Sb, expected MgFe8(SbS)4 to be MgFe4(SbS)4" +mp-1027862,Mg14FeSb,-2.1188901231,0.0687938238,0.1563773216,0.1563773216,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Sb, expected Mg18FeSb to be Mg14FeSb" +mp-1027786,Mg14FeSb,-2.1592292781,0.0284546687,0.1160381666,0.1160381666,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Sb, expected Mg26FeSb to be Mg14FeSb" +mp-1191163,Dy3GaNiS7,-6.0546392642,-1.7559940733,0.0426753701,0.0426753701,GGA,P6_3,A3BCD7_hP24_173_c_b_a_b2c:Dy-Ga-Ni-S,24.0,A3BCD7_hP24_173_c_b_a_b2c:Dy-Ga-Ni-S +mp-1078286,CeMnAsO,-8.0686532187,-1.8934253279,0.0348419575,0.0348419575,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ce-Mn-O,8.0,ABCD_tP8_129_c_c_a_b:As-Ce-Mn-O +mp-1226128,Cr8Cd3CuS16,-6.3256620471,-0.9586815621,0.0135696605,0.0135696605,GGA,R3m,A3B8CD16_hR84_160_3a_2a2b_a_4a4b:Cd-Cr-Cu-S,28.0,"Invalid WP multiplicities - A3B8CD16_hR84_160_3a_2a6b_a_4a12b:Cd-Cr-Cu-S, expected Cr20Cd3CuS40 to be Cr8Cd3CuS16" +mp-1219320,ScMn3(BiO3)4,-7.481241996,-2.0542051942,0.0333714528,0.0333714528,GGA+U,C2,A4B3C12D_mC40_5_2c_ac_6c_b:Bi-Mn-O-Sc,20.0,A4B3C12D_mC40_5_2c_ac_6c_b:Bi-Mn-O-Sc +mp-1219299,ScMn(BiO3)2,-7.5788296845,-2.293270192,0.037081686,0.037081686,GGA+U,C2/c,A2BC6D_mC40_15_f_c_3f_e:Bi-Mn-O-Sc,40.0,A2BC6D_mC40_15_f_c_3f_e:Bi-Mn-O-Sc +mp-555313,ScBiO3,-7.78477346,-2.7821685862,0.0337337539,0.0337337539,GGA,Cc,AB3C_mC40_9_2a_6a_2a:Bi-O-Sc,20.0,"Invalid WP multiplicities - AB3C_mC40_9_2a_12a_4a:Bi-O-Sc, expected Sc2BiO6 to be ScBiO3" +mp-555769,ScBiO3,-7.7840247885,-2.7814199147,0.0344824254,0.0344824254,GGA,C2/c,AB3C_mC40_15_f_3f_ce:Bi-O-Sc,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_10f_2a2e:Bi-O-Sc, expected Sc2BiO10 to be ScBiO3" +mp-756205,ScBiO3,-7.7863500525,-2.7837451788000003,0.0321571614,0.0321571614,GGA,Pnma,AB3C_oP20_62_c_cd_a:Bi-O-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Bi-O-Sc, expected ScBiO7 to be ScBiO3" +mp-1101383,ScBiO3,-7.744921898,-2.7423170243,0.0735853159,0.0735853159,GGA,R-3,AB3C_hR30_148_c_f_c:Bi-O-Sc,10.0,AB3C_hR30_148_c_f_c:Bi-O-Sc +mp-754009,ScBiO3,-7.797074837,-2.7944699632,0.0214323769,0.0214323769,GGA,R3c,AB3C_hR30_161_a_b_a:Bi-O-Sc,10.0,AB3C_hR30_161_a_b_a:Bi-O-Sc +mp-550008,ScBiO3,-7.461491168,-2.4588862943,0.3570160459,0.3570160459,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-Sc,5.0,AB3C_cP5_221_a_c_b:Bi-O-Sc +mp-769111,Sc3Bi3O11,-7.2988608138,-2.3028343121,0.2304225449,0.2304225449,GGA,Pn-3,A3B11C3_cP68_201_be_efh_g:Bi-O-Sc,68.0,"Invalid WP multiplicities - A3B11C3_cP68_201_2b2e_4e6f11h_g:Bi-O-Sc, expected Sc3(Bi3O46)2 to be Sc3Bi3O11" +mp-1228013,Co8Cu7(MoO4)12,-7.6656786144,-1.6236806343,0.0,-0.004664413,GGA+U,Pm,A8B7C12D48_mP75_6_4c_3a4b_2a2b4c_4a4b20c:Co-Cu-Mo-O,75.0,"Invalid WP multiplicities - A8B7C12D48_mP75_6_8c_3a4b_2a2b8c_4a4b40c:Co-Cu-Mo-O, expected Co16Cu7(Mo5O22)4 to be Co8Cu7(MoO4)12" +mp-2230241,MgCr2(GeO3)4,-7.3858176416,-2.1879886445,0.0947873072,0.0947873072,GGA+U,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Cr-Ge-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Cr-Ge-Mg-O +mp-2231345,MgCr2(GeO3)4,-7.4440366416,-2.2462076445,0.0365683072,0.0365683072,GGA+U,C2,A2B4CD12_mC38_5_ab_2c_a_6c:Cr-Ge-Mg-O,19.0,A2B4CD12_mC38_5_ab_2c_a_6c:Cr-Ge-Mg-O +mp-1327259,Mg3Cr2(GeO4)3,-7.3333205436,-2.4665063841,0.0474720177,0.0474720177,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Cr-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Cr-Ge-Mg-O +mp-1379935,MgCr(GeO3)2,-7.3026009337,-2.284649384,0.056658394,0.056658394,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Cr-Ge-Mg-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Cr-Ge-Mg-O +mp-1273498,MgCr(GeO3)2,-7.309497226,-2.2915456762,0.0497621017,0.0497621017,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Mg-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Mg-O +mp-766597,Li4Ti5S12,-6.1267231402,-1.5195540949000002,0.0712376247,0.0712376247,GGA,P-1,A4B12C5_aP42_2_4i_12i_5i:Li-S-Ti,42.0,"Invalid WP multiplicities - A4B12C5_aP42_2_7i_23i_9i:Li-S-Ti, expected Li7Ti9S23 to be Li4Ti5S12" +mp-753863,Li2Ti2S5,-5.9918245844,-1.5150380177,0.0703577764,0.0703577764,GGA,C2/c,A2B5C2_mC36_15_f_e2f_f:Li-S-Ti,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_2e5f_f:Li-S-Ti, expected LiTiS6 to be Li2Ti2S5" +mp-554395,Na5Li3(TiS4)2,-4.9169989078,-1.5157779058,0.0,-0.0738064174,GGA,C2/c,A3B5C8D2_mC72_15_cf_e2f_4f_f:Li-Na-S-Ti,36.0,"Invalid WP multiplicities - A3B5C8D2_mC72_15_c2f_2e5f_13f_f:Li-Na-S-Ti, expected Na12Li5(TiS13)2 to be Na5Li3(TiS4)2" +mp-19755,Li(TiS2)3,-6.684610409,-1.6432005972,0.014605898,0.014605898,GGA,P-3m1,AB6C3_hP10_164_a_3d_bc:Li-S-Ti,10.0,AB6C3_hP10_164_a_3d_bc:Li-S-Ti +mp-766581,Li4TiS4,-5.05299479,-1.4888855732,0.0587387419,0.0550885821,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Li-S-Ti,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_15e_e:Li-S-Ti, expected Li15TiS15 to be Li4TiS4" +mp-766540,Li4TiS4,-5.1117335319,-1.5476243152,0.0,-0.0036501598,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:Li-S-Ti,36.0,"Invalid WP multiplicities - A4B4C_oP36_62_2a4c2d_7c2d_c:Li-S-Ti, expected Li10TiS11 to be Li4TiS4" +mp-756811,Li4TiS4,-5.086719575,-1.5226103582,0.0250139569,0.0213637971,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Li-S-Ti,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:Li-S-Ti, expected Li6TiS6 to be Li4TiS4" +mp-861182,Li4TiS4,-5.1087518589,-1.5446426421,0.0029816731,-0.0006684868,GGA,I-42m,A4B4C_tI18_121_ce_i_a:Li-S-Ti,9.0,A4B4C_tI18_121_ce_i_a:Li-S-Ti +mp-766600,Li4TiS4,-5.0430684947,-1.478959278,0.0686650372,0.0650148774,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Li-S-Ti,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_5e6i_4e5i_2a2c:Li-S-Ti, expected Li23Ti2S19 to be Li4TiS4" +mp-766575,Li8TiS6,-4.665738378,-1.4667001013,0.0633821825,0.0633821825,GGA,Pna2_1,A8B6C_oP60_33_8a_6a_a:Li-S-Ti,60.0,"Invalid WP multiplicities - A8B6C_oP60_33_29a_21a_a:Li-S-Ti, expected Li29TiS21 to be Li8TiS6" +mp-754266,Li8TiS6,-4.6914740473,-1.4924357706,0.0376465132,0.0376465132,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-S-Ti,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-S-Ti, expected Li14TiS6 to be Li8TiS6" +mp-753546,Li8TiS6,-4.7256225577,-1.5265842809,0.0034980028,0.0034980028,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Li-S-Ti,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_2b9c_a3b3c_a:Li-S-Ti, expected Li31TiS16 to be Li8TiS6" +mp-1223278,Li(TiS2)2,-6.5713334129,-1.6790896461,0.0,-0.0260603343,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Li-S-Ti,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_3i_i:Li-S-Ti, expected Li(TiS3)2 to be Li(TiS2)2" +mp-1045384,Li(TiS2)2,-6.5280960736,-1.6358523068,0.0432373393,0.017177005,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Li-S-Ti,14.0,AB4C2_cF56_227_a_e_d:Li-S-Ti +mp-753497,Li3TiS3,-5.2382481957,-1.5194467361,0.0836549929,0.0836549929,GGA,C2/c,A3B3C_mC28_15_ef_ef_a:Li-S-Ti,14.0,"Invalid WP multiplicities - A3B3C_mC28_15_2e3f_2e3f_c:Li-S-Ti, expected Li8TiS8 to be Li3TiS3" +mp-9615,LiTiS2,-6.1969297525,-1.6776010982,0.0,-0.0355503475,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-S-Ti,4.0,AB2C_hP4_164_a_d_b:Li-S-Ti +mp-1001784,LiTiS2,-6.1764778125,-1.6571491582,0.02045194,-0.0150984075,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Ti,4.0,AB2C_hR12_166_a_c_b:Li-S-Ti +mp-755414,LiTiS2,-6.1620647331,-1.6427360789,0.0348650194,-0.0006853281,GGA,Fd-3m,AB2C_cF64_227_c_e_d:Li-S-Ti,16.0,AB2C_cF64_227_c_e_d:Li-S-Ti +mp-983603,ErZnAsO,-5.862334405,-2.0040170209,0.0005758667,0.0005758667,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Er-O-Zn,8.0,ABCD_tP8_129_c_c_a_b:As-Er-O-Zn +mp-1212838,Er2ZnAs2O,-4.6332929083,-0.5232751165,1.3174046711,1.3174046711,GGA,P4/mmm,A2B2CD_tP6_123_g_g_a_b:As-Er-O-Zn,6.0,A2B2CD_tP6_123_g_g_a_b:As-Er-O-Zn +mp-772156,ErAsO4,-7.6909485808,-2.8553499042,0.0,-0.2537204715,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-Er-O,12.0,ABC4_tI24_141_a_b_h:As-Er-O +mp-1184207,ErZnO3,-6.419305086,-2.2857993752,0.4597434651,0.4597434651,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Er-O-Zn,5.0,AB3C_cP5_221_a_c_b:Er-O-Zn +mp-1213890,Cd2Mo3O8,-7.4867820212,-1.7978405181,0.0223918892,0.0223918892,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Cd-Mo-O,26.0,A2B3C8_hP26_186_2b_c_ab2c:Cd-Mo-O +mp-19039,CdMoO4,-7.0808787267,-1.8216629408,0.0,-0.0828629231,GGA+U,I4_1/a,ABC4_tI24_88_a_b_f:Cd-Mo-O,12.0,ABC4_tI24_88_a_b_f:Cd-Mo-O +mp-1207118,Ba2CdMoO6,-7.002457366,-2.4737951643,0.0,-0.0219105547,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Cd-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Cd-Mo-O +mp-1213941,CdMoO2,-6.4903825244,-1.0749032012,0.4418993369,0.4418993369,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:Cd-Mo-O,16.0,ABC2_tI32_141_c_d_h:Cd-Mo-O +mp-19518,BaCr(Si2O5)2,-8.340579693,-3.1693183403,0.0,-0.0164489489,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ba-Cr-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ba-Cr-O-Si, expected BaCr(Si2O11)2 to be BaCr(Si2O5)2" +mp-1205765,BaZnSb2,-3.5551383838,-0.6959581262,0.0030564551,0.0030564551,GGA,I4/mmm,AB2C_tI16_139_e_ce_d:Ba-Sb-Zn,8.0,AB2C_tI16_139_e_ce_d:Ba-Sb-Zn +mp-1079149,Ba2ZnSb2,-3.621798104,-0.95065891,0.0,-0.060136402,GGA,Ibam,A2B2C_oI20_72_j_j_a:Ba-Sb-Zn,10.0,A2B2C_oI20_72_j_j_a:Ba-Sb-Zn +mp-1046970,BaZn(SbO2)4,-5.9273744614,-1.6939292329,0.3011786481,0.3011786481,GGA,P-31m,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Sb-Zn,14.0,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Sb-Zn +mp-14207,Ba(ZnSb)2,-3.1481480155,-0.6088550875000001,0.0,-0.0498775859,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Ba-Sb-Zn,20.0,AB2C2_oP20_62_c_2c_2c:Ba-Sb-Zn +mp-1228651,Ba(ZnSb)2,-2.9374672,-0.398174272,0.2106808155,0.1608032296,GGA,I4mm,AB2C2_tI10_107_a_2a_b:Ba-Sb-Zn,5.0,AB2C2_tI10_107_a_2a_b:Ba-Sb-Zn +mp-1214487,Ba3ZnSb2O9,-6.479014764,-2.4926901433,0.0,-0.0115730487,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Sb-Zn,30.0,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Sb-Zn +mp-1201927,Na3Cr(Mo3O16)2,-6.6169203664000005,-0.9743355386,0.5549333184,0.5549333184,GGA+U,P-1,AB6C3D32_aP42_2_b_3i_di_16i:Cr-Mo-Na-O,42.0,AB6C3D32_aP42_2_b_3i_di_16i:Cr-Mo-Na-O +mp-16613,AlAuO2,-6.45349617,-2.2252873569,0.0541959192,0.0541959192,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Al-Au-O,8.0,ABC2_hP8_194_a_c_f:Al-Au-O +mp-1183159,AlAuO3,-5.773129062,-1.4012242693,0.5752346087,0.5752346087,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Au-O,5.0,ABC3_cP5_221_b_a_c:Al-Au-O +mp-559984,Rb8AlAu3O4,-3.8860929383,-1.3112023598,0.0,-0.0280063717,GGA,P2_12_12_1,AB3C4D8_oP64_19_a_3a_4a_8a:Al-Au-O-Rb,64.0,"Invalid WP multiplicities - AB3C4D8_oP64_19_a_8a_14a_30a:Al-Au-O-Rb, expected Rb30Al(Au4O7)2 to be Rb8AlAu3O4" +mp-1216965,Tm2Ti12(CuO4)9,-8.1193014327,-2.7180941669000003,0.0607414489,0.0607414489,GGA,P-3,A9B36C12D2_hP59_147_fg_6g_adeg_d:Cu-O-Ti-Tm,59.0,"Invalid WP multiplicities - A9B36C12D2_hP59_147_3f2g_32g_a2d3e3g_d:Cu-O-Ti-Tm, expected Tm2Ti32(Cu7O64)3 to be Tm2Ti12(CuO4)9" +mp-1216796,Tm2TiCuO6,-8.221032769,-3.1583825889,0.1639611383,0.1639611383,GGA,P-6m2,AB6CD2_hP10_187_c_abhi_f_g:Cu-O-Ti-Tm,10.0,"Invalid WP multiplicities - AB6CD2_hP10_187_c_ab2h2i_f_g:Cu-O-Ti-Tm, expected Tm2TiCuO10 to be Tm2TiCuO6" +mp-556178,BaAl2(GeO4)2,-7.3807085779,-2.9015015010000003,0.0,-0.0397159534,GGA,C2/c,A2BC2D8_mC104_15_2f_f_2f_8f:Al-Ba-Ge-O,52.0,"Invalid WP multiplicities - A2BC2D8_mC104_15_4f_f_6f_27f:Al-Ba-Ge-O, expected BaAl4(Ge2O9)3 to be BaAl2(GeO4)2" +mp-1111673,K2LiGdCl6,-5.355226539,-2.4255202429,0.0369059175,0.0369059175,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Gd-K-Li +mp-1112929,Cs2AsAuI6,-2.804621029,-0.9482207041,0.032460959,0.032460959,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:As-Au-Cs-I,10.0,ABC2D6_cF40_225_a_b_c_e:As-Au-Cs-I +mp-540735,Cs2UBr6,-4.5179837867,-2.0290521495,0.0,-0.0812710956,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-U,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-U +mp-568694,Na2UBr6,-4.441958123,-1.8581102811,0.0,-0.002871183,GGA,P-3m1,A6B2C_hP27_164_3i_g_ad:Br-Na-U,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_8i_g_ad:Br-Na-U, expected Na2UBr16 to be Na2UBr6" +mp-1214014,Cs2NaUBr6,-4.3130921413,-1.9408011385,0.015619666,0.015619666,GGA,Pa-3,A6B2CD_cP40_205_d_c_a_b:Br-Cs-Na-U,40.0,A6B2CD_cP40_205_d_c_a_b:Br-Cs-Na-U +mp-2647024,CsUBr3,-4.909576282,-1.5403968076,0.285750127,0.285750127,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-U,5.0,A3BC_cP5_221_c_a_b:Br-Cs-U +mp-13820,Cd3SiO5,-5.6999067956000005,-2.041303366,0.0,-0.0060924167,GGA,P4/nmm,A3B5C_tP18_129_cd_ci_b:Cd-O-Si,18.0,A3B5C_tP18_129_cd_ci_b:Cd-O-Si +mp-1182036,Cd5(SiO5)2,-5.7393106026,-1.9197828396,0.0777426557,0.0777426557,GGA,P2_1/c,A5B10C2_mP68_14_ab4e_10e_2e:Cd-O-Si,68.0,A5B10C2_mP68_14_ab4e_10e_2e:Cd-O-Si +mp-560560,CdSiO3,-6.7814507625000005,-2.5437959778,0.0,-0.0047660385,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Cd-O-Si,60.0,"Invalid WP multiplicities - AB3C_mP60_14_10e_31e_11e:Cd-O-Si, expected Cd10Si11O31 to be CdSiO3" +mp-776023,CdSiO3,-6.75465183,-2.5169970453,0.0267989325,0.022032894,GGA,Pbcn,AB3C_oP40_60_2c_3d_d:Cd-O-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_60_5c_9d_d:Cd-O-Si, expected Cd5(SiO9)2 to be CdSiO3" +mp-1016879,CdSiO3,-6.406944496,-2.1692897112,0.3745062665,0.369740228,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Si,5.0,AB3C_cP5_221_a_c_b:Cd-O-Si +mp-1214149,Cd2SiO2,-4.4160530685,-0.983158074,0.9776611795,0.9776611795,GGA,Fddd,A2B2C_oF80_70_h_h_c:Cd-O-Si,20.0,A2B2C_oF80_70_h_h_c:Cd-O-Si +mp-1201956,Cd4Si4O9,-6.0778535568,-1.9653224061,0.5129875169,0.5129875169,GGA,P2_1/c,A4B9C4_mP34_14_2e_a4e_2e:Cd-O-Si,34.0,A4B9C4_mP34_14_2e_a4e_2e:Cd-O-Si +mp-660318,Cd2SiO4,-6.0582266429,-2.1928191579,0.0337812886,0.0279458552,GGA,Cc,A2B4C_mC28_9_2a_4a_a:Cd-O-Si,14.0,A2B4C_aP14_1_4a_8a_2a:Cd-O-Si +mp-4530,Cd2SiO4,-6.0920079314,-2.2266004464,0.0,-0.0058354334,GGA,Fddd,A2B4C_oF56_70_e_h_a:Cd-O-Si,14.0,A2B4C_oF56_70_e_h_a:Cd-O-Si +mp-560842,Cd2SiO4,-5.9575500357,-2.0921425507,0.1344578957,0.1286224623,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cd-O-Si,14.0,A2B4C_cF56_227_c_e_b:Cd-O-Si +mp-557293,Li2CdSiO4,-6.2822681841,-2.538167138,0.0,-0.0341819109,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cd-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_8c5d_c:Cd-Li-O-Si, expected Li2CdSiO18 to be Li2CdSiO4" +mp-1113150,Cs2TlAgF6,-4.213349169,-2.3678613991,0.0,-0.0297422385,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Tl +mp-1225957,CsTlAgF6,-4.073598745,-2.1225459309,0.0276328767,0.0276328767,GGA,Imma,ABC6D_oI36_74_a_e_2ej_c:Ag-Cs-F-Tl,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Ag-Cs-F-Tl, expected CsTlAgF12 to be CsTlAgF6" +mp-7773,Na2AsAu,-3.1339848988,-0.4894721508,0.0,-0.0973328547,GGA,Cmcm,ABC2_oC16_63_c_a_g:As-Au-Na,8.0,ABC2_oC16_63_c_a_g:As-Au-Na +mp-1111089,Na2AsAuF6,-4.260727179,-2.0560346993,0.4001988611,0.4001988611,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-F-Na +mp-570972,K2Mn(NbCl3)6,-5.6483646541,-1.7496867538,0.0159428263,0.0159428263,GGA,R-3,A18B2CD6_hR81_148_3f_c_a_f:Cl-K-Mn-Nb,27.0,"Invalid WP multiplicities - A18B2CD6_hR81_148_13f_c_a_f:Cl-K-Mn-Nb, expected K2Mn(NbCl13)6 to be K2Mn(NbCl3)6" +mp-1112625,Cs2KAsCl6,-3.715769283,-1.8506150774,0.021536994,0.021536994,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:As-Cl-Cs-K +mp-1112054,CsK2AsCl6,-3.60523576,-1.7185818969,0.1383906264,0.1383906264,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Cl-Cs-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-Cl-Cs-K +mp-1112603,Cs2HgAsF6,-4.237512848,-2.4152651161,0.078912557,0.078912557,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Hg +mp-13771,Sc2Cd3(GeO4)3,-6.8480247109,-2.4148769314000003,0.0,-0.0054175665,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Cd-Ge-O-Sc,80.0,A3B3C12D2_cI160_230_c_d_h_a:Cd-Ge-O-Sc +mp-1111400,Rb2TlAuF6,-4.084862573,-2.1782158633,0.1252360615,0.1252360615,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Tl +mp-1096281,LiAlHg2,-0.7247435325,0.8407213242,1.0276233837,1.0276233837,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Hg-Li,4.0,AB2C_oI8_71_a_e_b:Al-Hg-Li +mp-1111352,Li2AlHgF6,-4.59966169,-2.6660641167,0.455661363,0.455661363,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-Li +mp-1212711,Gd2MgPtO6,-9.437781278,-2.8874022663,0.0,-0.0337278258,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Gd-Mg-O-Pt,20.0,A2BC6D_mP20_14_e_a_3e_b:Gd-Mg-O-Pt +mp-22028,GdMgPt,-8.1907399733,-0.9415614367,0.0,-0.1101431737,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-Mg-Pt,9.0,ABC_hP9_189_f_g_ad:Gd-Mg-Pt +mp-1205643,Ba2CePaO6,-8.541068808,-3.6444852117,0.0,-0.045573123,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pa +mp-1183709,CePa3,-8.57124317,0.0480276137,0.0480276137,0.0480276137,GGA,Pm-3m,AB3_cP4_221_a_c:Ce-Pa,4.0,AB3_cP4_221_a_c:Ce-Pa +mp-1226494,CePaO4,-9.987752355,-4.115334245,0.0,-0.13400488,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-O-Pa,6.0,AB4C_tP6_123_a_i_d:Ce-O-Pa +mp-686050,CePaO4,-9.9874066725,-4.1149885625,0.0003456825,-0.1336591975,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Ce-O-Pa,12.0,AB4C_tI24_141_a_f_b:Ce-O-Pa +mp-985284,Ce3Pa,-6.7141329312,0.1143501,0.1143501,0.1143501,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ce-Pa,8.0,A3B_hP8_194_h_c:Ce-Pa +mp-1111240,K2NaAsBr6,-3.282188133,-1.5301269758,0.0458547135,0.0458547135,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Na +mp-1184044,CuHgO3,-4.198000504,-0.3494098703,0.3230121082,0.3230121082,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cu-Hg-O,5.0,ABC3_cP5_221_b_a_c:Cu-Hg-O +mp-772856,CuHgO2,-4.3117184250000005,-0.7376523106,0.0534079669,0.0534079669,GGA,C2/m,ABC2_mC8_12_a_d_i:Cu-Hg-O,4.0,ABC2_mC8_12_a_d_i:Cu-Hg-O +mp-996973,CuHgO2,-4.32208594,-0.7480198256,0.0430404519,0.0430404519,GGA,C2/m,ABC2_mC8_12_a_d_i:Cu-Hg-O,4.0,ABC2_mC8_12_a_d_i:Cu-Hg-O +mp-1194777,Cu3Hg2(Te3O8)2,-5.3736528867,-1.2658071281,0.0,-0.0058096742,GGA,P42_12,A3B2C16D6_tP54_90_3c_e_4g_fg:Cu-Hg-O-Te,54.0,A3B2C16D6_tP54_90_3c_e_4g_fg:Cu-Hg-O-Te +mp-13268,GdCo4B,-8.4750793058,-0.2769484407,0.0058801152,0.0058801152,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Gd,12.0,AB4C_hP12_191_c_di_ab:B-Co-Gd +mp-1212642,Gd2NiB10,-8.2764718719,-0.5282950359,0.0,-0.0208926555,GGA,Pbam,A10B2C_oP26_55_3gi_h_a:B-Gd-Ni,26.0,A10B2C_oP26_55_3gi_h_a:B-Gd-Ni +mp-1181496,Gd(CoB)4,-8.1713740261,-0.4794895257,0.0,-0.0015285394,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Gd,18.0,A4B4C_tP18_137_g_g_a:B-Co-Gd +mp-1197241,Gd4NiB13,-8.699710495,-0.4265594583,0.1568040921,0.1568040921,GGA,P4/mnc,A13B4C_tP36_128_agi_h_b:B-Gd-Ni,36.0,A13B4C_tP36_128_agi_h_b:B-Gd-Ni +mp-1224781,Gd2CoB3,-9.5801865933,-0.3637303288,0.1334949612,0.1334949612,GGA,P-6m2,A3BC2_hP6_187_abc_d_i:B-Co-Gd,6.0,A3BC2_hP6_187_abc_d_i:B-Co-Gd +mp-1225255,Gd2CoNi3,-9.0693598983,-0.3025311792,0.0500575058,0.0500575058,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Co-Gd-Ni,6.0,AB2C3_hP6_187_a_i_bcd:Co-Gd-Ni +mp-645286,Gd(Co2B)6,-7.6882202768,-0.3486262555,0.0,-0.0320747018,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Gd,19.0,"Invalid WP multiplicities - A6B12C_hR57_166_h_3f3h_b:B-Co-Gd, expected Gd(Co6B)6 to be Gd(Co2B)6" +mp-865177,GdNiB4,-7.4600372629,0.302267071,0.8499812808,0.8499812808,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Gd-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Gd-Ni +mp-1105010,Gd4(CoB2)3,-9.4312484508,-0.3769566838,0.1226611087,0.1226611087,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Gd,,A6B3C4_hR39_166_f_bc_2c:B-Co-Gd +mp-1198624,Gd4CoB13,-8.7757259622,-0.4287870858,0.1572255679,0.1572255679,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Gd,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Gd +mp-21230,GdCoB4,-8.5423878262,-0.5587199732,0.0,-0.0054255768,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Gd,24.0,A4BC_oP24_55_4h_g_g:B-Co-Gd +mp-605854,Gd3Co11B4,-8.5194996022,-0.3451979606,0.0,-0.0024180375,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Gd,18.0,"Invalid WP multiplicities - A4B11C3_hP18_191_h_2c2g2i_ae:B-Co-Gd, expected Gd3(Co11B2)2 to be Gd3Co11B4" +mp-1102948,GdNi4B,-7.7853562392,-0.4726794507,0.0,-0.0634488172,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Gd-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Gd-Ni +mp-1192940,Gd3Ni7B2,-8.47999852,-0.4759896015,0.0,-0.0097138909,GGA,P6_3/mmc,A2B3C7_hP24_194_bc_df_ak:B-Gd-Ni,24.0,A2B3C7_hP24_194_bc_df_ak:B-Gd-Ni +mp-1102353,GdCoNi3B,-7.0533854392,0.4806548685,0.9098755339,0.9098755339,GGA,P6/mmm,ABCD3_hP12_191_c_d_ab_i:B-Co-Gd-Ni,12.0,ABCD3_hP12_191_c_d_ab_i:B-Co-Gd-Ni +mp-866774,Gd3Ni19B10,-7.2518839425,-0.4129814004,0.0162779137,0.0162779137,GGA,C2/m,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Gd-Ni,32.0,"Invalid WP multiplicities - A10B3C19_mC64_12_g3j_ai_c3i3j:B-Gd-Ni, expected Gd3Ni19B14 to be Gd3Ni19B10" +mp-1225353,GdCo2Ni2B,-8.1190718433,-0.3636680165,0.0220938635,0.0220938635,GGA,Cmm2,AB2CD2_oC24_35_d_2ac_2b_cd:B-Co-Gd-Ni,12.0,AB2CD2_oC24_35_d_2ac_2b_cd:B-Co-Gd-Ni +mp-21252,GdCo3B2,-8.5929529083,-0.4663097139,0.0,-0.0156129418,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Gd,6.0,A2B3C_hP6_191_c_g_a:B-Co-Gd +mp-610530,Gd(CoB)2,-8.868975926000001,-0.5386676517,0.0,-0.0565077065,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Gd,5.0,A2B2C_tI10_139_e_d_a:B-Co-Gd +mp-1204079,Gd(Ni2B)6,-6.8936694718,-0.3929266811,0.0,-0.0356381114,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-Gd-Ni,38.0,A6BC12_oC76_36_2a2b_a_2a5b:B-Gd-Ni +mp-1106171,Gd(Ni2B)6,-6.8916104679,-0.3908676771,0.0020590039,-0.0335791074,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Gd-Ni,19.0,A6BC12_hR57_166_h_a_gh:B-Gd-Ni +mp-861898,Rb3GePSe7,-4.0744187,-0.9536426231,0.0,-0.0027329593,GGA,P-1,ABC3D7_aP24_2_i_i_3i_7i:Ge-P-Rb-Se,24.0,ABC3D7_aP24_2_i_i_3i_7i:Ge-P-Rb-Se +mp-569883,Rb2(PSe2)3,-4.3080247616000005,-0.7465298042,0.0,-0.0141702213,GGA,Pca2_1,A3B2C6_oP88_29_6a_4a_12a:P-Rb-Se,88.0,"Invalid WP multiplicities - A3B2C6_oP88_29_23a_12a_45a:P-Rb-Se, expected Rb12P23Se45 to be Rb2(PSe2)3" +mp-569862,Rb4P2Se9,-4.0262125403,-0.9454162335,0.0,-0.0482914859,GGA,C2/c,A2B4C9_mC60_15_f_2f_e4f:P-Rb-Se,30.0,"Invalid WP multiplicities - A2B4C9_mC60_15_f_4f_2e13f:P-Rb-Se, expected Rb4PSe14 to be Rb4P2Se9" +mp-1195251,Rb4Ge(PSe3)4,-4.2451293396,-0.8094478204000001,0.0,-0.0085880381,GGA,Pca2_1,AB4C4D12_oP84_29_a_4a_4a_12a:Ge-P-Rb-Se,84.0,AB4C4D12_oP84_29_a_4a_4a_12a:Ge-P-Rb-Se +mp-17945,RbPSe6,-4.1165100744,-0.6953468937,0.0,-0.1417341203,GGA,Pca2_1,ABC6_oP32_29_a_a_6a:P-Rb-Se,32.0,ABC6_oP32_29_a_a_6a:P-Rb-Se +mp-17978,Rb5GeP3,-3.1711514981,-0.3083064161,0.0,-0.0253805836,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Ge-P-Rb,36.0,AB3C5_oP36_62_c_3c_5c:Ge-P-Rb +mp-571464,RbPSe3,-4.1819097437,-0.8055955412,0.0,-0.0018694447,GGA,P3_121,ABC3_hP30_152_c_c_3c:P-Rb-Se,30.0,"Invalid WP multiplicities - ABC3_hP30_152_c_c_13c:P-Rb-Se, expected RbPSe13 to be RbPSe3" +mp-1228674,Ba2AlZnF9,-5.7477369729,-3.7441538938,0.0048470441,0.0048470441,GGA,Pnma,AB2C9D_oP52_62_c_2c_3c3d_c:Al-Ba-F-Zn,52.0,AB2C9D_oP52_62_c_2c_3c3d_c:Al-Ba-F-Zn +mp-1223838,HoTiFe11N,-8.34996033,-0.208201107,0.126602195,0.126602195,GGA,Imm2,A11BCD_oI28_44_a2b2ce_a_b_a:Fe-Ho-N-Ti,14.0,A11BCD_oI28_44_a2b2ce_a_b_a:Fe-Ho-N-Ti +mp-542200,CdAg4Ge2S7,-4.1422514421,-0.5383715456,0.002973598,0.002973598,GGA,Cc,A4BC2D7_mC56_9_4a_a_2a_7a:Ag-Cd-Ge-S,28.0,A4BC2D7_mC56_9_4a_a_2a_7a:Ag-Cd-Ge-S +mp-554105,CdAg2GeS4,-4.0608164494,-0.5912128132000001,0.0029448853,-0.0096577291,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Ag-Cd-Ge-S,16.0,"Invalid WP multiplicities - A2BCD4_oP16_31_b_a_a_4a3b:Ag-Cd-Ge-S, expected CdAg2GeS10 to be CdAg2GeS4" +mp-1197203,CdAg2GeS4,-4.0637613347,-0.5941576985,0.0,-0.0126026144,GGA,Pna2_1,A2BCD4_oP32_33_2a_a_a_4a:Ag-Cd-Ge-S,32.0,A2BCD4_oP32_33_2a_a_a_4a:Ag-Cd-Ge-S +mp-18090,Ba3TaAs3O,-6.1111026003,-1.5437593033,0.0,-0.1287244647,GGA,Pnma,A3B3CD_oP32_62_cd_cd_c_c:As-Ba-O-Ta,32.0,"Invalid WP multiplicities - A3B3CD_oP32_62_cd_2c2d_c_c:As-Ba-O-Ta, expected Ba6TaAs3O to be Ba3TaAs3O" +mp-28901,AlFeF5,-6.4227911643,-3.3123637532,0.0102005129,0.0102005129,GGA+U,Immm,AB5C_oI14_71_a_ceg_b:Al-F-Fe,7.0,AB5C_oI14_71_a_ceg_b:Al-F-Fe +mp-1265576,Al2Fe3F15,-6.0204347475,-2.9417647574,0.1895718428,0.1895718428,GGA+U,C2/m,A2B15C3_mC40_12_i_ah4ij_bi:Al-F-Fe,20.0,"Invalid WP multiplicities - A2B15C3_mC40_12_i_a2h6i3j_bi:Al-F-Fe, expected Al2Fe3F29 to be Al2Fe3F15" +mp-1209296,RbAlFe2F2,-5.1392619008,-0.8910768579,1.0845708897,1.0845708897,GGA+U,P4/mbm,AB2C2D_tP12_127_a_e_g_c:Al-F-Fe-Rb,12.0,AB2C2D_tP12_127_a_e_g_c:Al-F-Fe-Rb +mp-1041859,AlFe3F15,-5.3597978961,-2.3162282133,0.1987320551,0.1987320551,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Fe,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Fe, expected AlFe6F54 to be AlFe3F15" +mp-1262698,AlFe3F15,-5.3451208674,-2.3015511846,0.2134090838,0.2134090838,GGA+U,C2/m,AB15C3_mC38_12_c_ah4ij_bi:Al-F-Fe,19.0,"Invalid WP multiplicities - AB15C3_mC38_12_c_a2h8i2j_b2i:Al-F-Fe, expected AlFe5F29 to be AlFe3F15" +mp-1022590,HfMg6Zn,-2.5311750363,0.0711515813,0.1405671477,0.1405671477,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Zn, expected HfMg12Zn to be HfMg6Zn" +mp-1022606,HfMg6Zn,-2.5240984244,0.0782281931,0.1476437596,0.1476437596,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Zn, expected HfMg12Zn to be HfMg6Zn" +mp-1035703,HfMg14ZnO16,-6.3843853366,-2.8603893141,0.1888327513,0.1888327513,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Zn, expected HfMg18ZnO20 to be HfMg14ZnO16" +mp-1035739,HfMg14ZnO16,-6.3858042378,-2.8618082153,0.1874138501,0.1874138501,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Zn, expected HfMg30ZnO32 to be HfMg14ZnO16" +mp-1032543,HfMg6ZnO8,-6.4630012906,-2.6884936262,0.3559102052,0.3559102052,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Zn, expected HfMg6ZnO12 to be HfMg6ZnO8" +mp-1032546,HfMg6ZnO8,-6.4561196056,-2.6816119412,0.3627918902,0.3627918902,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Zn, expected HfMg6ZnO12 to be HfMg6ZnO8" +mp-1037159,HfMg30ZnO32,-6.3536271842,-2.9548869827,0.0967441997,0.0967441997,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Zn, expected HfMg90ZnO80 to be HfMg30ZnO32" +mp-1037149,HfMg30ZnO32,-6.3541943662,-2.9554541647,0.0961770177,0.0961770177,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Zn, expected HfMg110ZnO72 to be HfMg30ZnO32" +mp-1097464,HfMgZn2,-1.43808179,2.081157285,2.2532824148,2.2532824148,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Mg-Zn,4.0,ABC2_oI8_71_a_b_e:Hf-Mg-Zn +mp-1016819,HfZnO3,-7.653380586,-2.4419808313,0.6870288145,0.6870288145,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hf-O-Zn,5.0,AB3C_cP5_221_b_c_a:Hf-O-Zn +mp-1027927,HfMg14Zn,-2.0653343275,0.0359690063,0.0837459423,0.0837459423,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Zn, expected HfMg18Zn to be HfMg14Zn" +mp-1027904,HfMg14Zn,-2.0671114656,0.0341918681,0.0819688041,0.0819688041,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Zn, expected HfMg26Zn to be HfMg14Zn" +mp-1191831,Nd3GaNiS7,-6.1027860833,-1.7638007443,0.0178673263,0.0178673263,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Ga-Nd-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Ga-Nd-Ni-S +mp-1210765,Nd4NiS7,-6.4028906254,-1.9189010022,0.1529233651,0.1529233651,GGA,P6_3,A4BC7_hP24_173_bc_a_b2c:Nd-Ni-S,24.0,A4BC7_hP24_173_bc_a_b2c:Nd-Ni-S +mp-1247250,Mg2MnIn3S8,-4.8959856936,-1.0596124424,0.0381549196,0.0381549196,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:In-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:In-Mg-Mn-S, expected Mg2MnIn3S22 to be Mg2MnIn3S8" +mp-1246492,Mg2Mn3InS8,-5.7848507679,-1.0327158649,0.0609819755,0.0609819755,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:In-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_mC28_12_a_i_c2e_4i3j:In-Mg-Mn-S, expected Mg2Mn5InS20 to be Mg2Mn3InS8" +mp-1246814,MgMnInS4,-5.3364980307,-1.0422439536,0.0553988268,0.0553988268,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:In-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:In-Mg-Mn-S, expected MgMnInS12 to be MgMnInS4" +mp-1226299,CrCuSnS4,-5.7050523621,-0.8039630104000001,0.0,-0.0178060638,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-S-Sn, expected CrCuSnS8 to be CrCuSnS4" +mp-1247752,Cr3SnS8,-6.294277965,-0.789251865,0.0406335358,0.0406335358,GGA,R-3m,A3B8C_hR36_166_d_ch_a:Cr-S-Sn,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2c3h_a:Cr-S-Sn, expected Cr3SnS22 to be Cr3SnS8" +mp-1363500,Mn2Zn3(GeO4)3,-6.6326955535,-1.8660650778,0.1408861302,0.1408861302,GGA+U,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mn-O-Zn,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mn-O-Zn +mp-1044245,MnZn(GeO3)2,-6.9795610665000005,-2.0447663785,0.0186630246,0.0186630246,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mn-O-Zn,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mn-O-Zn +mp-1043445,MnZn(GeO3)2,-6.9848398648,-2.0500451768,0.0133842263,0.0133842263,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mn-O-Zn,40.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mn-O-Zn +mp-8285,ZnGeO3,-6.111723113,-1.9671555932,0.0352339462,0.0352339462,GGA,R-3,AB3C_hR30_148_c_f_c:Ge-O-Zn,10.0,AB3C_hR30_148_c_f_c:Ge-O-Zn +mp-1020631,ZnGeO3,-6.039638132,-1.8950706122,0.1073189272,0.1073189272,GGA,R3c,AB3C_hR30_161_a_b_a:Ge-O-Zn,10.0,AB3C_hR30_161_a_b_a:Ge-O-Zn +mp-1016930,ZnGeO3,-5.555858568,-1.4112910482,0.5910984912,0.5910984912,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-O-Zn,5.0,AB3C_cP5_221_b_c_a:Ge-O-Zn +mp-27843,Zn2Ge3O8,-6.3224655358,-2.0176901146,0.0021297764,0.0021297764,GGA,P4_332,A3B8C2_cP52_212_d_ce_c:Ge-O-Zn,52.0,A3B8C2_cP52_212_d_ce_c:Ge-O-Zn +mp-1193910,MnZnGeO4,-6.9871040804,-2.0111695658,0.0315782862,0.0315782862,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_a:Ge-Mn-O-Zn,28.0,ABC4D_oP28_62_c_c_2cd_a:Ge-Mn-O-Zn +mp-5909,Zn2GeO4,-5.8170574464,-1.9700188864,0.0,-0.0384830024,GGA,R-3,AB4C2_hR126_148_f_4f_2f:Ge-O-Zn,42.0,AB4C2_hR126_148_f_4f_2f:Ge-O-Zn +mp-2231396,MgGe4(MoO6)2,-7.3470267079,-2.0236605908,0.1163528303,0.1163528303,GGA+U,C2,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mo-O,19.0,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mo-O +mp-2230144,MgGe4(MoO6)2,-7.4490917342,-2.1257256171,0.0142878039,0.0142878039,GGA+U,C2,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mo-O,19.0,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mo-O +mp-1363886,Mg3Ge3(MoO6)2,-7.2887636436,-2.3026892201,0.0740142732,0.0740142732,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Mo-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Mo-O +mp-1042628,Ta2ZnCoO7,-8.620868299,-2.5562830586,0.1541099088,0.1541099088,GGA+U,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Co-O-Ta-Zn,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_2e_17e_7e_3e:Co-O-Ta-Zn, expected Ta7Zn3Co2O17 to be Ta2ZnCoO7" +mp-1046160,Ta2Zn2CoO8,-8.1539002156,-2.5449102183,0.0241200248,0.0241200248,GGA+U,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Co-O-Ta-Zn,52.0,AB8C2D2_mC52_15_e_4f_f_f:Co-O-Ta-Zn +mp-865805,TaZnCo2,-7.06537848,-0.2318392725,0.0,-0.0312499771,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ta-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Ta-Zn +mp-1344346,TaZn2CoO6,-7.1893448855,-2.0727733943,0.1543607376,0.1543607376,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Co-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Co-O-Ta-Zn, expected TaZn3CoO18 to be TaZn2CoO6" +mp-5219,Ho(SiOs)2,-8.299937504,-0.722381546,0.0,-0.2398038113,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Os-Si +mp-1205519,HoSiOs2C,-8.846550107,-0.5083246565,0.0,-0.0480615101,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ho-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ho-Os-Si +mp-1212373,Ho2OsC2,-8.1661927245,-0.3962894935,0.0,-0.0649112165,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Ho-Os,20.0,A2B2C_oP20_62_2c_2c_c:C-Ho-Os +mp-1202418,Ho3Si13Os4,-6.87108521,-0.411793674,0.0784677347,0.0784677347,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ho-Os-Si,40.0,A3B4C13_cP40_223_c_e_ak:Ho-Os-Si +mp-1078159,Ce2Fe(SeO)2,-7.7847355786,-2.467392736,0.0756092857,0.0756092857,GGA+U,C2/m,A2BC2D2_mC14_12_i_a_i_i:Ce-Fe-O-Se,7.0,A2BC2D2_mC14_12_i_a_i_i:Ce-Fe-O-Se +mp-1227248,Ce2Fe(SeO)2,-7.6406757821,-2.3233329396,0.2196690821,0.2196690821,GGA+U,Cmc2_1,A2BC2D2_oC56_36_4a_2a_4a_4a:Ce-Fe-O-Se,28.0,"Invalid WP multiplicities - A2BC2D2_oC56_36_6a_2a_6a_5a:Ce-Fe-O-Se, expected Ce6Fe2Se5O6 to be Ce2Fe(SeO)2" +mp-579188,Ce4FeSe6O,-6.8879518979,-2.044240614,0.0537236669,0.0537236669,GGA+U,P6_3mc,A4BCD6_hP24_186_bc_a_b_2c:Ce-Fe-O-Se,24.0,"Invalid WP multiplicities - A4BCD6_hP24_186_b2c_a_b_7c:Ce-Fe-O-Se, expected Ce7FeSe21O to be Ce4FeSe6O" +mp-1078283,Ce2Fe2Se2O3,-7.8894795844,-2.2630229379,0.1533968581,0.1533968581,GGA+U,I4/mmm,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Fe-O-Se,9.0,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Fe-O-Se +mp-756062,CeFeO3,-8.719293432,-2.8706581323,0.07979086,0.07979086,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ce-Fe-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ce-Fe-O, expected CeFeO7 to be CeFeO3" +mp-864636,CeFeO3,-8.422955156,-2.5743198563,0.376129136,0.376129136,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Fe-O,5.0,ABC3_cP5_221_a_b_c:Ce-Fe-O +mp-996945,Cs2TlInH6,-2.816113736,-0.0899649469,0.0013045001,0.0013045001,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-H-In-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-H-In-Tl +mp-1111796,Rb2AsAuI6,-2.780778866,-0.907352201,0.0518610062,0.0518610062,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-I-Rb +mp-989572,Cs2NaCaF6,-4.715816756,-3.0570363837,0.0098956265,0.0098956265,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ca-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Ca-Cs-F-Na +mp-1018098,Ba2BrN,-4.86481195,-1.4329436662,0.0,-0.0873518302,GGA,R-3m,A2BC_hR12_166_c_a_b:Ba-Br-N,4.0,A2BC_hR12_166_c_a_b:Ba-Br-N +mp-1227976,Ba6Br2N3Cl,-4.9206883517,-1.4641943738,0.0059149592,0.0059149592,GGA,C2/m,A6B2CD3_mC24_12_3i_i_a_ci:Ba-Br-Cl-N,12.0,"Invalid WP multiplicities - A6B2CD3_mC24_12_6i_i_a_di:Ba-Br-Cl-N, expected Ba12Br2N3Cl to be Ba6Br2N3Cl" +mp-1227985,Ba6Br2N3Cl,-4.920801595,-1.4643076171,0.0058017158,0.0058017158,GGA,C2/m,A6B2CD3_mC24_12_3i_i_a_di:Ba-Br-Cl-N,12.0,"Invalid WP multiplicities - A6B2CD3_mC24_12_6i_i_a_ci:Ba-Br-Cl-N, expected Ba12Br2N3Cl to be Ba6Br2N3Cl" +mp-1227977,Ba6Br2N3Cl,-4.9247570942,-1.4682631163,0.0018462167,0.0018462167,GGA,P-3m1,A6B2CD3_hP12_164_c2d_d_a_bd:Ba-Br-Cl-N,12.0,"Invalid WP multiplicities - A6B2CD3_hP12_164_2c4d_d_a_bd:Ba-Br-Cl-N, expected Ba12Br2N3Cl to be Ba6Br2N3Cl" +mp-569812,BaN3Cl,-7.002047807,-1.246648532,0.0,-0.01049384,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Ba-Cl-N,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_6e:Ba-Cl-N, expected BaN6Cl to be BaN3Cl" +mp-1018099,Ba2NCl,-5.0501860325,-1.5444406662,0.0,-0.0745077652,GGA,R-3m,A2BC_hR12_166_c_a_b:Ba-Cl-N,4.0,A2BC_hR12_166_c_a_b:Ba-Cl-N +mp-1228723,Ba10Br4N5Cl,-4.8992801125,-1.4526364123,0.002606654,0.002606654,GGA,R-3m,A10B4CD5_hR60_166_5c_2c_a_b2c:Ba-Br-Cl-N,20.0,"Invalid WP multiplicities - A10B4CD5_hR60_166_10c_3c_a_b4c:Ba-Br-Cl-N, expected Ba20Br6N9Cl to be Ba10Br4N5Cl" +mp-1228725,Ba10BrN5Cl4,-5.01103688,-1.5200669303,0.002074336,0.002074336,GGA,R-3m,A10BC4D5_hR60_166_5c_a_2c_b2c:Ba-Br-Cl-N,20.0,"Invalid WP multiplicities - A10BC4D5_hR60_166_10c_a_3c_b4c:Ba-Br-Cl-N, expected Ba20Br(N3Cl2)3 to be Ba10BrN5Cl4" +mp-1195868,LiCeF5,-6.3009013543,-3.815271803,0.0,-0.0104823476,GGA,I4_1/a,AB5C_tI112_88_f_5f_f:Ce-F-Li,56.0,AB5C_tI112_88_f_5f_f:Ce-F-Li +mp-1110975,Cs2LiCeF6,-5.624452474,-3.5142834169,0.0046488658,0.0046488658,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-Li,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-Li +mp-1110741,Rb2NaMoI6,-3.438294432,-1.1413502672,0.0974787806,0.0974787806,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Mo-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Mo-Na-Rb +mp-557433,CsBaCr3F12,-6.5099451909,-3.2916353478,0.0,-0.0090999592,GGA+U,C2/c,AB3CD12_mC136_15_f_3f_f_2e11f:Ba-Cr-Cs-F,68.0,"Invalid WP multiplicities - AB3CD12_mC136_15_f_9f_f_4e43f:Ba-Cr-Cs-F, expected CsBaCr9F45 to be CsBaCr3F12" +mp-865412,CsBa2Cr2F11,-6.3464602006,-3.529852961,0.0,-0.0218620454,GGA+U,I4/mmm,A2B2CD11_tI32_139_d_e_a_bem:Ba-Cr-Cs-F,16.0,"Invalid WP multiplicities - A2B2CD11_tI32_139_d_e_a_be2m:Ba-Cr-Cs-F, expected CsBa2Cr2F19 to be CsBa2Cr2F11" +mp-1777514,CaAgF5,-4.5879150157,-2.5314077699,0.0313944198,0.0313944198,GGA,P-1,ABC5_aP14_2_bc_i_5i:Ag-Ca-F,14.0,"Invalid WP multiplicities - ABC5_aP14_2_bc_i_9i:Ag-Ca-F, expected CaAgF9 to be CaAgF5" +mp-1445086,CaAgF5,-3.9155630436,-1.8590557977,0.7037463919,0.7037463919,GGA,P-1,ABC5_aP14_2_ab_i_5i:Ag-Ca-F,14.0,"Invalid WP multiplicities - ABC5_aP14_2_ab_i_9i:Ag-Ca-F, expected CaAgF9 to be CaAgF5" +mp-1323922,CaAgF5,-4.5776253707,-2.5211181249,0.0416840648,0.0416840648,GGA,P2_1/c,ABC5_mP28_14_e_e_5e:Ag-Ca-F,28.0,ABC5_mP28_14_e_e_5e:Ag-Ca-F +mp-1214066,Ca3Hf3AgF20,-6.7643262065,-3.9143076108,0.0,-0.0530832603,GGA,P6_3/m,AB3C20D3_hP54_176_a_h_bc4hi_h:Ag-Ca-F-Hf,54.0,AB3C20D3_hP54_176_a_h_bc4hi_h:Ag-Ca-F-Hf +mp-28550,Hf2Ag3F14,-5.7592668495,-2.8554378171,0.0,-0.0011118983,GGA,C2/m,A3B14C2_mC38_12_ai_bc2i2j_i:Ag-F-Hf,19.0,"Invalid WP multiplicities - A3B14C2_mC38_12_bi_ac2i3j_i:Ag-F-Hf, expected Hf2Ag3F18 to be Hf2Ag3F14" +mp-1114163,Rb2ScTlI6,-3.408553217,-1.4589153673,0.0133027315,0.0133027315,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-Rb-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:I-Rb-Sc-Tl +mp-1211594,KHo2Cl7,-4.986843532,-2.6653462013,0.0,-0.0468505036,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:Cl-Ho-K,40.0,A7B2C_mP40_14_7e_2e_e:Cl-Ho-K +mp-1184912,K3Ho,-1.3961519425,0.5822494852,0.5822494852,0.5822494852,GGA,P6_3/mmc,AB3_hP8_194_c_h:Ho-K,8.0,AB3_hP8_194_c_h:Ho-K +mp-982663,K3Ho,-1.388611625,0.5897898027,0.5897898027,0.5897898027,GGA,Fm-3m,AB3_cF16_225_a_bc:Ho-K,4.0,AB3_cF16_225_a_bc:Ho-K +mp-1211924,K3HoCl6,-4.3920516492,-2.4915690821,0.0,-0.010060236,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-Ho-K,40.0,A6BC3_mP40_14_6e_ad_3e:Cl-Ho-K +mp-1206199,K3HoCl6,-4.328057427,-2.4275748599,0.0639942223,0.0539339863,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Ho-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Ho-K +mp-1212046,K2HoCl5,-4.5430637553,-2.5373274973,0.0,-0.0023141354,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Ho-K,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Ho-K +mp-1207104,Cs2KHoCl6,-4.379634467,-2.5221512149,0.0,-0.0080518765,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ho-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ho-K +mp-1211251,KTaCl6,-4.9921411594,-1.9847165922,0.0,-0.0281373806,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-K-Ta,16.0,A6BC_mC32_15_3f_e_a:Cl-K-Ta +mp-1112693,Cs2KTaCl6,-4.562133187,-1.9771130589,0.1061468232,0.1061468232,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Ta +mp-31363,K2TaCl6,-4.8037169189,-2.0070729762,0.0256337626,0.0256337626,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Ta,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Ta +mp-31360,K2Ta3Cl9,-5.7677832771,-1.8798575111,0.0,-0.0280973551,GGA,C2/m,A9B2C3_mC56_12_g2i3j_j_ij:Cl-K-Ta,28.0,"Invalid WP multiplicities - A9B2C3_mC56_12_2g3i4j_j_ij:Cl-K-Ta, expected K2Ta3Cl13 to be K2Ta3Cl9" +mp-1111330,K3TaCl6,-4.521945644,-1.8939262009,0.1771726551,0.1771726551,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Ta,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Ta +mp-1112592,Cs2CrHgF6,-4.917714037,-2.5960733986,0.1188805804,0.1188805804,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-Hg +mp-558992,In7GeIrO8,-5.8994111753,-1.6466607144,0.0,-0.0350913127,GGA,F-43m,AB7CD8_cF68_216_a_bg_c_2e:Ge-In-Ir-O,17.0,"Invalid WP multiplicities - AB7CD8_cF68_216_a_bg_c_8e:Ge-In-Ir-O, expected In7GeIrO32 to be In7GeIrO8" +mp-1212173,In6Ge2IrO8,-5.93688235,-1.5740528229,0.0581084255,0.0581084255,GGA,Fm-3m,A2B6CD8_cF68_225_c_e_a_f:Ge-In-Ir-O,17.0,A2B6CD8_cF68_225_c_e_a_f:Ge-In-Ir-O +mp-28994,KLi2As,-2.9867657138,-0.5899249424,0.0,-0.0080717804,GGA,Pmmn,ABC2_oP8_59_a_b_e:As-K-Li,8.0,ABC2_oP8_59_a_b_e:As-K-Li +mp-1213037,KLiAs,-2.3994224625,0.1600576104,0.7077371639000001,0.7077371639000001,GGA,Pmma,ABC_oP12_51_i_i_i:As-K-Li,12.0,ABC_oP12_51_i_i_i:As-K-Li +mp-505431,K2LiInAs2,-3.2627029725,-0.5627627557,0.0,-0.0701032604,GGA,Cmce,A2BC2D_oC48_64_ef_d_ef_d:As-In-K-Li,24.0,A2BC2D_oC48_64_ef_d_ef_d:As-In-K-Li +mp-1192150,Rb2U(PdSe2)3,-5.2505225388,-1.1032231678,0.0,-0.0266602128,GGA,Fmmm,A3B2C6D_oF96_69_gn_fh_mp_i:Pd-Rb-Se-U,24.0,A3B2C6D_oF96_69_gn_fh_mp_i:Pd-Rb-Se-U +mp-1202036,Rb2U6Pd4Se17,-6.4492136329,-1.2816429238,0.0,-0.0347325593,GGA,P4/mnc,A4B2C17D6_tP58_128_h_e_a2i_dh:Pd-Rb-Se-U,58.0,A4B2C17D6_tP58_128_h_e_a2i_dh:Pd-Rb-Se-U +mp-1110979,Cs2NaSbF6,-4.762747331,-2.8916268227,0.032347781,0.032347781,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sb +mp-29372,Cs2GaSb2,-3.1150702755,-0.4996896262,0.0,-0.0644663375,GGA,Pnma,A2BC2_oP40_62_2d_2c_4c:Cs-Ga-Sb,40.0,"Invalid WP multiplicities - A2BC2_oP40_62_2d_3c_7c:Cs-Ga-Sb, expected Cs4Ga3Sb7 to be Cs2GaSb2" +mp-541811,Cs6K3GaSb4,-2.4937743829,-0.4760806646,0.0,-0.0190578343,GGA,P6_3/mmc,A6BC3D4_hP28_194_k_c_h_ah:Cs-Ga-K-Sb,28.0,A6BC3D4_hP28_194_k_c_h_ah:Cs-Ga-K-Sb +mp-9697,Cs6GaSb3,-2.5381309335,-0.459379536,0.0,-0.0466812878,GGA,P2_1/m,A6BC3_mP20_11_6e_e_3e:Cs-Ga-Sb,20.0,A6BC3_mP20_11_6e_e_3e:Cs-Ga-Sb +mp-680240,Sb2Cl5F4,-4.1441854757,-1.8581307802,0.0,-0.0018479625,GGA,C2/c,A5B4C2_mC176_15_10f_2e7f_4f:Cl-F-Sb,88.0,"Invalid WP multiplicities - A5B4C2_mC176_15_38f_3e25f_14f:Cl-F-Sb, expected Sb28Cl76F53 to be Sb2Cl5F4" +mp-1209457,Sb3Cl11F4,-3.814456576,-1.5718553065,0.0,-0.0031516644,GGA,P2_1/c,A11B4C3_mP72_14_11e_4e_3e:Cl-F-Sb,72.0,A11B4C3_mP72_14_11e_4e_3e:Cl-F-Sb +mp-27314,SbClF8,-4.106231128,-1.979294164,0.0,-0.0494499726,GGA,P-1,AB8C_aP20_2_i_8i_ab:Cl-F-Sb,20.0,AB8C_aP20_2_i_8i_ab:Cl-F-Sb +mp-1219579,Sb4Cl13F7,-3.9334286292,-1.6864563661,0.0062668142,0.0062668142,GGA,P1,A13B7C4_aP24_1_13a_7a_4a:Cl-F-Sb,24.0,A13B7C4_aP24_1_13a_7a_4a:Cl-F-Sb +mp-560748,SbCl3F2,-4.0105879117,-1.7609930525,0.0042508521,0.0004805983,GGA,I4,A3B2C_tI48_79_3c_2c_c:Cl-F-Sb,24.0,"Invalid WP multiplicities - A3B2C_tI48_79_6c_5c_c:Cl-F-Sb, expected SbCl6F5 to be SbCl3F2" +mp-29391,SbCl3F2,-4.0148387638,-1.7652439046,0.0,-0.0037702538,GGA,I-4,A3B2C_tI48_82_3g_2g_g:Cl-F-Sb,24.0,"Invalid WP multiplicities - A3B2C_tI48_82_6g_2g_g:Cl-F-Sb, expected Sb(Cl3F)2 to be SbCl3F2" +mp-1209192,Sb2Cl7F3,-3.8583645133,-1.6140148465,0.0061876096,0.0061876096,GGA,C2,A7B3C2_mC48_5_7c_3c_2c:Cl-F-Sb,24.0,A7B3C2_mC48_5_7c_3c_2c:Cl-F-Sb +mp-23412,SbCl4F,-3.7095379854,-1.4704335108,0.0,-0.0018218384,GGA,I-4,A4BC_tI48_82_4g_g_g:Cl-F-Sb,24.0,A4BC_tI48_82_4g_g_g:Cl-F-Sb +mp-29940,SbClF10,-3.8856746327,-1.7946473348,0.0,-0.0239149733,GGA,Pbcm,AB10C_oP48_57_d_6d2e_d:Cl-F-Sb,48.0,"Invalid WP multiplicities - AB10C_oP48_57_d_6d3e_d:Cl-F-Sb, expected SbClF12 to be SbClF10" +mp-23576,CsSbClF3,-4.6990475062,-2.5978179772,0.0,-0.0123809307,GGA,I-42m,ABC3D_tI48_121_f_de_ij_i:Cl-Cs-F-Sb,24.0,"Invalid WP multiplicities - ABC3D_tI48_121_f_d2e_i2j_i:Cl-Cs-F-Sb, expected Cs3Sb2(ClF5)2 to be CsSbClF3" +mp-559349,Sb2ClF17,-4.0290858747,-1.8990017954,0.0,-0.0207647743,GGA,P2_1/c,AB17C2_mP80_14_ab_17e_2e:Cl-F-Sb,80.0,AB17C2_mP80_14_ab_17e_2e:Cl-F-Sb +mp-27353,SbCl2F3,-4.305986411,-2.0459011672,0.0,-0.0047501709,GGA,P2_1/c,A2B3C_mP72_14_6e_9e_3e:Cl-F-Sb,72.0,"Invalid WP multiplicities - A2B3C_mP72_14_9e_12e_3e:Cl-F-Sb, expected SbCl3F4 to be SbCl2F3" +mp-675493,Sb8Cl27F13,-3.8006680438,-1.5550070788,0.1014557394,0.1014557394,GGA,P1,A27B13C8_aP48_1_27a_13a_8a:Cl-F-Sb,48.0,A27B13C8_aP48_1_27a_13a_8a:Cl-F-Sb +mp-532120,Sb24(Cl7F17)5,-4.4563682064,-2.190600671,0.0,-0.0013178485,GGA,P1,A35B85C24_aP144_1_35a_85a_24a:Cl-F-Sb,144.0,A35B85C24_aP144_1_35a_85a_24a:Cl-F-Sb +mp-12275,SrZnSb2,-3.4622389044,-0.6604290185,0.0,-0.0126777656,GGA,Pnma,A2BC_oP16_62_2c_c_c:Sb-Sr-Zn,16.0,A2BC_oP16_62_2c_c_c:Sb-Sr-Zn +mp-1179023,SrZnSb2,-3.4618937206,-0.6600838348,0.0003451837,-0.0123325819,GGA,Pnma,A2BC_oP16_62_2c_c_c:Sb-Sr-Zn,16.0,A2BC_oP16_62_2c_c_c:Sb-Sr-Zn +mp-1218373,Sr2ZnSb2,-3.368970056,-0.7896234567,0.0596367258,0.0596367258,GGA,P-6m2,A2B2C_hP5_187_bc_i_a:Sb-Sr-Zn,5.0,A2B2C_hP5_187_bc_i_a:Sb-Sr-Zn +mp-7431,Sr(ZnSb)2,-3.051879328,-0.5584826973,0.0,-0.0269558215,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Sb-Sr-Zn,5.0,A2BC2_hP5_164_d_a_d:Sb-Sr-Zn +mp-1078903,SrZnSbF,-4.1791110187000005,-1.931681701,0.0045794038,0.0045794038,GGA,P4/nmm,ABCD_tP8_129_a_c_c_b:F-Sb-Sr-Zn,8.0,ABCD_tP8_129_a_c_c_b:F-Sb-Sr-Zn +mp-1194285,LuMoBrO4,-7.84897877,-2.605209655,0.017268156,0.017268156,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Lu-Mo-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Lu-Mo-O +mp-1210966,Lu2Mo4O15,-8.5569712488,-2.527217337,0.0281488093,0.0281488093,GGA+U,P2_1/c,A2B4C15_mP42_14_e_2e_a7e:Lu-Mo-O,42.0,A2B4C15_mP42_14_e_2e_a7e:Lu-Mo-O +mp-1211136,Lu2(MoO4)3,-8.6411588406,-2.7035637874000003,0.0,-0.0557318577,GGA+U,Pbcn,A2B3C12_oP68_60_d_cd_6d:Lu-Mo-O,68.0,A2B3C12_oP68_60_d_cd_6d:Lu-Mo-O +mp-1211057,Lu2MoO6,-8.7182204083,-3.2107000286,0.0192629932,0.0192629932,GGA+U,C2/c,A2BC6_mC72_15_2ef_f_6f:Lu-Mo-O,36.0,A2BC6_mC72_15_2ef_f_6f:Lu-Mo-O +mp-558119,Lu4Mo4O11,-8.8582395128,-2.7592932841,0.2099931678,0.2099931678,GGA+U,P2/m,A4B4C11_mP76_10_4m4n_2m2n2o_il4m4n6o:Lu-Mo-O,76.0,"Invalid WP multiplicities - A4B4C11_mP76_10_7m8n_3m4n7o_2i2j8m8n23o:Lu-Mo-O, expected Lu5Mo7O22 to be Lu4Mo4O11" +mp-1225894,CsLiMnS2,-5.299377454,-1.2515294011,0.0,-0.053341542,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:Cs-Li-Mn-S,5.0,ABCD2_tI10_119_c_a_b_f:Cs-Li-Mn-S +mp-1220506,Nd2Fe15(SiH)2,-7.4337922038,-0.0898540531,0.1577674476,0.1577674476,GGA,C2/m,A15B2C2D2_mC42_12_afhi2j_e_i_i:Fe-H-Nd-Si,21.0,"Invalid WP multiplicities - A15B2C2D2_mC42_12_ae2h2i3j_f_i_i:Fe-H-Nd-Si, expected Nd2Fe23(SiH)2 to be Nd2Fe15(SiH)2" +mp-18163,Cd4GeSe6,-3.4217425536,-0.7590102117,0.0212506115,0.0212506115,GGA,Cc,A4BC6_mC44_9_4a_a_6a:Cd-Ge-Se,22.0,A4BC6_mC44_9_4a_a_6a:Cd-Ge-Se +mp-1226966,Cd4Ge(SeS)3,-3.6333710845,-0.7959464547,0.0125389136,0.0125389136,GGA,Cc,A4BC3D3_mC44_9_4a_a_3a_3a:Cd-Ge-S-Se,22.0,A4BC3D3_mC44_9_4a_a_3a_3a:Cd-Ge-S-Se +mp-1224376,Ge2SeS,-4.69052166,-0.4709173964,0.00576459,0.00576459,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Ge-S-Se,8.0,A2BC_oP8_26_ab_a_b:Ge-S-Se +mp-1102387,MgNiGe,-4.3697609667,-0.3686127717,0.0,-0.0456248908,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mg-Ni,12.0,ABC_oP12_62_c_c_c:Ge-Mg-Ni +mp-1104779,Mg(NiGe)6,-5.1891944277,-0.2646354077,0.0550237502,0.0550237502,GGA,P6/mmm,A6BC6_hP13_191_cde_a_i:Ge-Mg-Ni,13.0,A6BC6_hP13_191_cde_a_i:Ge-Mg-Ni +mp-21725,Mg6Ni16Ge7,-5.0193113241,-0.3832746978,0.0,-0.071275493,GGA,Fm-3m,A7B6C16_cF116_225_ad_e_2f:Ge-Mg-Ni,29.0,A7B6C16_cF116_225_ad_e_2f:Ge-Mg-Ni +mp-1043243,MgNi(GeO3)2,-6.79665521,-2.1659947393,0.0081437896,0.0081437896,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:Ge-Mg-Ni-O,40.0,A2BCD6_mP40_14_2e_e_e_6e:Ge-Mg-Ni-O +mp-1043162,MgNi(GeO3)2,-6.8044515982,-2.1737911275,0.0003474013,0.0003474013,GGA+U,C2/c,A2BCD6_mC40_15_f_e_e_3f:Ge-Mg-Ni-O,40.0,A2BCD6_mC40_15_f_e_e_3f:Ge-Mg-Ni-O +mp-1364008,Mg3Ni2(GeO4)3,-6.5545000869,-2.0749770064,0.1027840309,0.1027840309,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Ni-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Ni-O +mp-1200516,In2Cu3(SeO3)6,-5.7091913007,-1.3017136063,0.0,-0.0019601731,GGA,P2_1/c,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-In-O-Se,58.0,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-In-O-Se +mp-505016,CsMnAs,-5.14882013,-0.243308107,0.011693511,0.011693511,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Cs-Mn,6.0,ABC_tP6_129_c_c_a:As-Cs-Mn +mp-1071293,CsMnAs,-5.1049310283,-0.1994190053,0.0555826127,0.0555826127,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-Cs-Mn,6.0,ABC_tP6_129_c_c_a:As-Cs-Mn +mp-1192853,Cs4Mn(AsS4)2,-4.6724233357,-0.9955259673,0.0,-0.065885186,GGA,P-1,A2B4CD8_aP30_2_2i_4i_i_8i:As-Cs-Mn-S,30.0,A2B4CD8_aP30_2_2i_4i_i_8i:As-Cs-Mn-S +mp-1111316,Na2ScAgF6,-5.330118485,-3.002223535,0.1671601763,0.1671601763,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Sc +mp-1210092,NaBi(MoO4)2,-7.5401595358,-2.004507508,0.0,-0.011349705,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:Bi-Mo-Na-O,12.0,AB2CD8_tI24_82_a_bc_d_2g:Bi-Mo-Na-O +mp-1227434,Bi4(TeS)3,-4.305620964,-0.5854985839,0.011858977,0.011858977,GGA,R3m,A4B3C3_hR30_160_4a_3a_3a:Bi-S-Te,10.0,A4B3C3_hR30_160_4a_3a_3a:Bi-S-Te +mp-1182231,Bi2Te2S,-3.91549765,-0.2946896673,0.280525928,0.2659668307,GGA,P-1,A2BC2_aP5_2_i_a_i:Bi-S-Te,5.0,A2BC2_aP5_2_i_a_i:Bi-S-Te +mp-632485,Bi2Te2S,-3.962342878,-0.3415348953,0.2336807,0.2191216027,GGA,C2/m,A2BC2_mC10_12_i_a_i:Bi-S-Te,5.0,A2BC2_mC10_12_i_a_i:Bi-S-Te +mp-1227335,Bi2Te2S,-4.143755126,-0.5229471433,0.052268452,0.0377093547,GGA,R3m,A2BC2_hR15_160_2a_a_2a:Bi-S-Te,5.0,A2BC2_hR15_160_2a_a_2a:Bi-S-Te +mp-27910,Bi2Te2S,-4.196023578,-0.5752155953,0.0,-0.0145590973,GGA,R-3m,A2BC2_hR15_166_c_a_c:Bi-S-Te,5.0,A2BC2_hR15_166_c_a_c:Bi-S-Te +mp-557619,Bi14Te13S8,-4.2143464517,-0.5651629269,0.0163789443,0.0163789443,GGA,R-3,A14B8C13_hR105_148_c2f_cf_a2f:Bi-S-Te,35.0,"Invalid WP multiplicities - A14B8C13_hR105_148_2c9f_2c2f_a8f:Bi-S-Te, expected Bi58Te49S16 to be Bi14Te13S8" +mp-1220141,Ni8Bi8S,-4.9279047079,-0.1572308052,0.0,-0.0272817563,GGA,P2_12_12,A8B8C_oP34_18_4c_4c_a:Bi-Ni-S,34.0,A8B8C_oP34_18_4c_4c_a:Bi-Ni-S +mp-1189904,Ni9BiTeS8,-5.4174968895,-0.5703061485,0.0285406554,0.0285406554,GGA,P4/mmm,AB9C8D_tP19_123_b_at_kl_c:Bi-Ni-S-Te,19.0,AB9C8D_tP19_123_b_at_kl_c:Bi-Ni-S-Te +mp-1103410,Bi3Te2S,-4.0947068675,-0.4372853602,0.0434183025,0.0434183025,GGA,P-3m1,A3BC2_hP12_164_c2d_d_cd:Bi-S-Te,12.0,A3BC2_hP12_164_c2d_d_cd:Bi-S-Te +mp-553994,Ni3(BiS)2,-5.2111797786,-0.4548529166,0.0035043057,-0.0438838164,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Ni-S,14.0,"Invalid WP multiplicities - A2B3C2_mC28_12_2i_2eh2i_j:Bi-Ni-S, expected Ni5(BiS)2 to be Ni3(BiS)2" +mp-1220111,Ni3(BiS)2,-5.1298555386,-0.3735286766,0.0848285457,0.0374404236,GGA,Pmm2,A2B3C2_oP7_25_ac_af_bd:Bi-Ni-S,7.0,A2B3C2_oP7_25_ac_af_bd:Bi-Ni-S +mp-559634,Ni3(BiS)2,-5.1595367271,-0.4032098652,0.0551473571,0.007759235,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Bi-Ni-S,7.0,A2B3C2_hR21_166_ab_d_c:Bi-Ni-S +mp-642190,Ni3(BiS)2,-5.2146840843,-0.4583572223,0.0,-0.0473881221,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Bi-Ni-S,14.0,A2B3C2_cI28_199_a_b_a:Bi-Ni-S +mp-1214135,Ca2TaInO6,-7.944479138,-3.1143997992,0.0004563483,0.0004563483,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-In-O-Ta,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-In-O-Ta +mp-1097273,Mg2ZnIr,-1.51400367,1.8106808025,2.1238305698,2.1238305698,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Ir-Mg-Zn +mp-607369,Zn5B3Ir7,-5.977643575,-0.0972480668,0.1859665707,0.1781896977,GGA,Pmma,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Ir-Zn,30.0,"Invalid WP multiplicities - A3B7C5_oP30_51_2e2i_2b4f6j_2e4i:B-Ir-Zn, expected Zn5(BIr3)3 to be Zn5B3Ir7" +mp-1179440,Zn5B3Ir7,-6.0066930933,-0.1262975852,0.1569170523,0.1491401794,GGA,Pmma,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Ir-Zn,30.0,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Ir-Zn +mp-1238725,Zn5B3Ir7,-6.1636101457,-0.2832146375,0.0,-0.007776873,GGA,Pmma,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Ir-Zn,30.0,A3B7C5_oP30_51_ei_b2f2j_e2i:B-Ir-Zn +mp-1093758,MgZn2Ir,-1.464935185,1.7746151775,2.05685624,2.0456364973,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Mg-Zn,4.0,ABC2_oI8_71_a_b_e:Ir-Mg-Zn +mp-1185621,MgZn2Ir,-3.521791425,-0.2822410625,0.0,-0.0112197427,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:Ir-Mg-Zn +mp-1178665,Zn6B6Ir11,-6.5700088722,-0.2718528607,0.0102635357,0.0102635357,GGA,Pmmm,A6B11C6_oP23_47_iy_cp2z_bekm:B-Ir-Zn,23.0,A6B11C6_oP23_47_iy_cp2z_bekm:B-Ir-Zn +mp-1215752,Zn6B5Ir11,-6.5539459127,-0.2731187994,0.0,-0.0058674965,GGA,Pmm2,A5B11C6_oP22_25_a2e_b5f_a3ce:B-Ir-Zn,22.0,"Invalid WP multiplicities - A5B11C6_oP22_25_a3e_b7f_a3ce:B-Ir-Zn, expected Zn6B7Ir15 to be Zn6B5Ir11" +mp-28786,Zn(BIr)2,-6.774440804,-0.3153617017,0.0,-0.0696980261,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:B-Ir-Zn,5.0,A2B2C_tI10_139_d_e_a:B-Ir-Zn +mp-1027954,Mg14ZnB,-1.7356328744,0.1608081307,0.2088337056,0.2088337056,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Zn, expected Mg18ZnB to be Mg14ZnB" +mp-1027886,Mg14ZnB,-1.7253587306,0.1710822744,0.2191078493,0.2191078493,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Zn, expected Mg26ZnB to be Mg14ZnB" +mp-28787,Zn2BIr2,-5.6742122213,-0.2990627512,0.0,-0.0207413686,GGA,Cmcm,AB2C2_oC60_63_cf_2c2f_ac2f:B-Ir-Zn,30.0,"Invalid WP multiplicities - AB2C2_oC60_63_cf_2c2f_ac3f:B-Ir-Zn, expected Zn8(BIr2)3 to be Zn2BIr2" +mp-1022656,Mg6ZnB,-2.0046836625,0.1879182976,0.2575074637,0.2575074637,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Zn,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Zn +mp-1022672,Mg6ZnB,-1.96797181,0.2246301501,0.2942193162,0.2942193162,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Zn +mp-865031,Mg2ZnB2Ir5,-6.6614157985,-0.4602899833,0.0,-0.0878766416,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Zn,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Zn +mp-579677,ZnB3Ir4,-7.3551621275,-0.2737051722,0.0,-0.0264776038,GGA,Pmmm,A3B4C_oP16_47_ijk_ijkl_ad:B-Ir-Zn,16.0,"Invalid WP multiplicities - A3B4C_oP16_47_i2jk_2i2jk2l_ad:B-Ir-Zn, expected ZnB4Ir7 to be ZnB3Ir4" +mp-1112148,Cs2NaMoI6,-3.467774259,-1.1878564342,0.0713576627,0.0713576627,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Mo-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Mo-Na +mp-1214472,BaAs2Xe5F22,-3.6190947963,-1.8367408002,0.0,-0.0454074967,GGA,Fmmm,A2BC22D5_oF120_69_c_a_gmnop_bde:As-Ba-F-Xe,30.0,A2BC22D5_oF120_69_c_a_gmnop_bde:As-Ba-F-Xe +mp-1111256,K2LiErCl6,-4.416816775,-2.4379508219,0.020663619,0.020663619,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Li +mp-1224518,KGd(NbCl3)6,-6.1026322304,-1.9077087186,0.0,-0.0095181541,GGA,R3,A18BCD6_hR78_146_6b_a_a_2b:Cl-Gd-K-Nb,26.0,A18BCD6_hR78_146_6b_a_a_2b:Cl-Gd-K-Nb +mp-1110763,Rb2PrCuI6,-3.354121152,-1.385983285,0.0998299443,0.0998299443,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-I-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-I-Pr-Rb +mp-1113226,Cs2AgMoF6,-5.301386423,-2.6075979568000003,0.0,-0.097984679,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Mo,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Mo +mp-1113707,Rb2LiRhF6,-4.916910772,-2.6465935033,0.0,-0.025888748,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Rh +mp-1110756,K2RbNdCl6,-4.279863371,-2.3737934351,0.1190139581,0.1190139581,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Nd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Nd-Rb +mp-1191826,KBaAsSe3,-4.3745252083,-1.3451540875,0.0,-0.0055085967,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Ba-K-Se,24.0,ABCD3_mP24_14_e_e_e_3e:As-Ba-K-Se +mp-1200892,BaSm2Sc2O7,-8.665184054600001,-3.7778585214,0.0,-0.0156742368,GGA,P4_2/mnm,AB7C2D2_tP48_136_f_2eghj_j_j:Ba-O-Sc-Sm,48.0,AB7C2D2_tP48_136_f_2eghj_j_j:Ba-O-Sc-Sm +mp-1212391,Ho2B6Rh,-6.9332585978,-0.6437612383,0.0,-0.0018613305,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Ho-Rh,36.0,A6B2C_oP36_55_6h_2g_g:B-Ho-Rh +mp-1223938,HoB4Rh7,-7.2466584208,-0.3424808339,0.1936808423,0.1936808423,GGA,Pmmm,A4BC7_oP12_47_ij_a_dfgx:B-Ho-Rh,12.0,"Invalid WP multiplicities - A4BC7_oP12_47_2ij_a_dfgx:B-Ho-Rh, expected HoB6Rh7 to be HoB4Rh7" +mp-1025027,HoB2Rh3,-7.37903264,-0.7066799697,0.0082234448,0.0082234448,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Ho-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Ho-Rh +mp-1212116,HoB4Rh,-7.0615291692,-0.6174818653,0.0,-0.0280128556,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ho-Rh,24.0,A4BC_oP24_55_4h_g_g:B-Ho-Rh +mp-3710,HoBRh3,-7.476134166,-0.8051893158000001,0.0,-0.14524446,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ho-Rh,5.0,ABC3_cP5_221_b_a_c:B-Ho-Rh +mp-1189784,Ho(BRh)4,-7.3299800461,-0.5791792202,0.01303356,0.01303356,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Ho-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Ho-Rh +mp-1224217,Ho2(B2Rh3)3,-7.4289966853,-0.6337061444000001,0.0,-0.0126575508,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-Ho-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-Ho-Rh +mp-1223895,HoSc(BRh)8,-7.40258643,-0.5545600355,0.0372698819,0.0372698819,GGA,P-4m2,A8BC8D_tP18_115_jk_a_jk_c:B-Ho-Rh-Sc,18.0,"Invalid WP multiplicities - A8BC8D_tP18_115_2jk_c_2jk_a:B-Ho-Rh-Sc, expected HoSc(BRh)12 to be HoSc(BRh)8" +mp-18444,Sr3CuRhO6,-6.4625140173,-2.2614115475,0.0009043261,0.0009043261,GGA,C2/c,AB6CD3_mC44_15_e_3f_c_ef:Cu-O-Rh-Sr,22.0,AB6CD3_mC44_15_e_3f_c_ef:Cu-O-Rh-Sr +mp-1110862,K2NaInCl6,-3.691198559,-1.9525758713,0.029960393,0.029960393,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Na +mp-684127,K3(Na13In24)2,-2.3523971091,-0.147232518,0.0,-0.0240385417,GGA,Pm-3n,A48B3C26_cP154_223_2kl_b_cdik:In-K-Na,154.0,"Invalid WP multiplicities - A48B3C26_cP154_223_37k24l_b_5c5d12i17k:In-K-Na, expected K(Na11In34)10 to be K3(Na13In24)2" +mp-1200661,K(NaIn3)3,-2.4194901333,-0.1238648719,0.0063905138,0.0063905138,GGA,Cmce,A9BC3_oC104_64_e4f2g_f_eg:In-K-Na,52.0,A9BC3_oC104_64_e4f2g_f_eg:In-K-Na +mp-1188845,K2Ag2GeSe4,-3.7888611389,-0.8452407315,0.0,-0.0245728444,GGA,Fddd,A2BC2D4_oF72_70_e_a_e_h:Ag-Ge-K-Se,18.0,A2BC2D4_oF72_70_e_a_e_h:Ag-Ge-K-Se +mp-1215667,Yb4Sc4Sb4O,-5.4099378323,-1.3367837391,0.0602149623,0.0602149623,GGA,P4/mmm,AB4C4D4_tP13_123_a_gh_ef_gh:O-Sb-Sc-Yb,,"Invalid WP multiplicities - AB4C4D4_tP13_123_a_g2h_2e2f_g2h:O-Sb-Sc-Yb, expected Yb6Sc8Sb6O to be Yb4Sc4Sb4O" +mp-1187493,YbScO3,-7.705651406,-3.1632227022,0.273664964,0.273664964,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sc-Yb,,A3BC_cP5_221_c_b_a:O-Sc-Yb +mp-769119,YbScO2,-7.8536142662,-3.4122505644,0.0568806816,0.0568806816,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:O-Sc-Yb,,A2BC_hP8_194_f_a_c:O-Sc-Yb +mp-5402,CaTl2O4,-5.5189931807,-1.7307587495,0.0093953902,0.0093953902,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Tl,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-Tl +mp-9216,Ca3Tl2O6,-5.9925574927,-2.3178103836,0.0,-0.0042727643,GGA,Pbam,A3B6C2_oP44_55_3g_ad2g3h_2h:Ca-O-Tl,44.0,A3B6C2_oP44_55_3g_ad2g3h_2h:Ca-O-Tl +mp-765152,Ca11Tl9O24,-5.8892168585,-2.2063551297,0.0059483735,0.0059483735,GGA,P2_1/m,A11B24C9_mP88_11_11e_ad10e6f_e4f:Ca-O-Tl,88.0,"Invalid WP multiplicities - A11B24C9_mP88_11_21e_ab18e12f_2e7f:Ca-O-Tl, expected Ca21Tl16O44 to be Ca11Tl9O24" +mp-1214010,Ca3TlO5,-6.1357126767,-2.456503083,0.0626503294,0.0626503294,GGA,Cmcm,A3B5C_oC36_63_cf_c2f_a:Ca-O-Tl,18.0,A3B5C_oC36_63_cf_c2f_a:Ca-O-Tl +mp-861057,Ca2Tl2O5,-5.8117258158,-2.0928447481,0.0003215406,0.0003215406,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_ace:Ca-O-Tl,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_7e_19e_2a2c4e:Ca-O-Tl, expected Ca7Tl6O19 to be Ca2Tl2O5" +mp-1227713,Ca2Tl2O5,-5.8110609622,-2.0921798945,0.0009863943,0.0009863943,GGA,Cmc2_1,A2B5C2_oC36_36_2a_5a_2a:Ca-O-Tl,18.0,"Invalid WP multiplicities - A2B5C2_oC36_36_2a_7a_2a:Ca-O-Tl, expected Ca2Tl2O7 to be Ca2Tl2O5" +mp-1181953,CaTlCl5O7,-4.1143168679,-0.6687634889,0.4404098001,0.4404098001,GGA,C2/m,AB5C7D_mC56_12_i_i2j_3i2j_g:Ca-Cl-O-Tl,28.0,AB5C7D_mC56_12_i_i2j_3i2j_g:Ca-Cl-O-Tl +mp-1193343,CaTlCl5O7,-3.5822816761,-0.1367282971,0.9724449919,0.9724449919,GGA,C2/m,AB5C7D_mC56_12_i_i2j_3i2j_g:Ca-Cl-O-Tl,28.0,AB5C7D_mC56_12_i_i2j_3i2j_g:Ca-Cl-O-Tl +mp-1213998,Ca4Tl3O9,-5.8833378231,-2.156429863,0.0257677944,0.0257677944,GGA,C2/m,A4B9C3_mC32_12_2i_a4i_di:Ca-O-Tl,16.0,A4B9C3_mC32_12_2i_a4i_ci:Ca-O-Tl +mp-998151,CaTlCl3,-4.17169119,-2.1889205887,0.038755097,0.022779034,GGA,Cm,AB3C_mC10_8_a_ab_a:Ca-Cl-Tl,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ca-Cl-Tl, expected CaTlCl5 to be CaTlCl3" +mp-998787,CaTlCl3,-4.210446287,-2.2276756857,0.0,-0.015976063,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Ca-Cl-Tl,10.0,AB3C_oC20_63_a_cf_c:Ca-Cl-Tl +mp-1227625,Ca3Tl4O9,-5.6830740644,-1.9338509001,0.0048725734,0.0048725734,GGA,Cm,A3B9C4_mC32_8_3a_9a_4a:Ca-O-Tl,16.0,A3B9C4_mC32_8_3a_9a_4a:Ca-O-Tl +mp-765585,Ca3Tl4O9,-5.6837984263,-1.934575262,0.0041482116,0.0041482116,GGA,P2_1/c,A3B9C4_mP64_14_3e_9e_4e:Ca-O-Tl,64.0,"Invalid WP multiplicities - A3B9C4_mP64_14_10e_32e_12e:Ca-O-Tl, expected Ca5Tl6O16 to be Ca3Tl4O9" +mp-4961,Na2HgO2,-3.914587438,-1.3461657631,0.0,-0.2273141125,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Hg-Na-O,5.0,AB2C2_tI10_139_a_e_e:Hg-Na-O +mp-1179941,NaHgCl3O2,-2.9002772696,-0.4623925467,0.7039401404000001,0.7039401404000001,GGA,Pnma,A3BCD2_oP28_62_3c_c_c_2c:Cl-Hg-Na-O,28.0,A3BCD2_oP28_62_3c_c_c_2c:Cl-Hg-Na-O +mp-16557,SrAlF5,-6.1859937816,-4.0442131929,0.0016828513,-0.0105670208,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Al-F-Sr,56.0,AB5C_mP56_14_2e_10e_2e:Al-F-Sr +mp-540653,SrAlF5,-6.1782138495,-4.0364332608,0.0094627834,-0.0027870886,GGA,I4,AB5C_tI112_79_2abc_2ab9c_2c:Al-F-Sr,56.0,AB5C_tI112_87_ceh_abd3h3i_2h:Al-F-Sr +mp-1200608,SrAlF5,-6.1876766329,-4.0458960442,0.0,-0.012249872,GGA,I4_1/a,AB5C_tI448_88_2e3f_20f_4f:Al-F-Sr,224.0,AB5C_tI448_88_2e3f_20f_4f:Al-F-Sr +mp-1208679,Sr5Al3F19,-6.1430495735,-4.0688904943,0.0184860846,0.0184860846,GGA,I4/m,A3B19C5_tI108_87_eh_ab3h3i_d2h:Al-F-Sr,54.0,A3B19C5_tI108_87_eh_ab3h3i_d2h:Al-F-Sr +mp-29978,Sr5Al2F16,-6.1415417998,-4.1188338691,0.0001039863,0.0001039863,GGA,Ccce,A2B16C5_oC92_68_h_4i_agh:Al-F-Sr,46.0,"Invalid WP multiplicities - A2B16C5_oC92_68_h_5i_agh:Al-F-Sr, expected Sr5Al2F20 to be Sr5Al2F16" +mp-555591,SrLiAlF6,-5.9426686481,-3.8523502086,0.0258119464,0.0056455451,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Al-F-Li-Sr,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_20e_e_e:Al-F-Li-Sr, expected SrLiAlF20 to be SrLiAlF6" +mp-1195827,SrLiAlF6,-5.9670256078,-3.8767071683,0.0014549867,-0.0187114146,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Al-F-Li-Sr,36.0,AB6CD_mP36_14_e_6e_e_e:Al-F-Li-Sr +mp-6591,SrLiAlF6,-5.9684805944,-3.878162155,0.0,-0.0201664013,GGA,P-31c,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Sr,18.0,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Sr +mp-1346992,Ca2TaAgO6,-7.5240659215,-2.6858993554,0.0519179418,0.0519179418,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Ag-Ca-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Ag-Ca-O-Ta, expected Ca3TaAgO18 to be Ca2TaAgO6" +mp-570297,La23Mg4Rh7,-5.4564012778,-0.4128883747,0.0,-0.0047280825,GGA,P6_3mc,A23B4C7_hP68_186_ab7c_ac_b2c:La-Mg-Rh,68.0,"Invalid WP multiplicities - A23B4C7_hP68_186_2a2b34c_2a3c_b10c:La-Mg-Rh, expected La106Mg11Rh31 to be La23Mg4Rh7" +mp-569186,LaMgRh,-5.2555289021,-0.6219972271,0.0,-0.0873226818,GGA,Pnma,ABC_oP24_62_2c_2c_2c:La-Mg-Rh,24.0,"Invalid WP multiplicities - ABC_oP24_62_5c_5c_6c:La-Mg-Rh, expected La5Mg5Rh6 to be LaMgRh" +mp-1211476,La4MgRh,-5.1381745088,-0.3534051188,0.0,-0.003418967,GGA,F-43m,A4BC_cF96_216_efg_e_e:La-Mg-Rh,24.0,A4BC_cF96_216_efg_e_e:La-Mg-Rh +mp-10320,La2MgRhO6,-7.7986246885,-2.9469512487,0.0,-0.0327490754,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mg-O-Rh,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Mg-O-Rh +mp-1113091,Cs2InSbF6,-4.663539801,-2.6495034491,0.0862917497,0.0862917497,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Sb +mp-1200631,InSb3F18,-4.8928297018,-2.640770208,0.0,-0.0183150356,GGA,P-3c1,A18BC3_hP44_165_3g_b_f:F-In-Sb,44.0,A18BC3_hP44_165_3g_b_f:F-In-Sb +mp-22449,InCu(PSe3)2,-4.3425897435,-0.4772933156,0.017264818,0.017264818,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Cu-In-P-Se,20.0,ABC2D6_hP20_163_c_a_f_i:Cu-In-P-Se +mp-1216511,V9GaSiGe,-8.2229187142,-0.3202856694,0.0046142304,0.0046142304,GGA,Pmm2,ABCD9_oP24_25_2a_2d_ad_6b3e3h:Ga-Ge-Si-V,24.0,"Invalid WP multiplicities - ABCD9_oP24_25_2a_2d_ad_6b6e6h:Ga-Ge-Si-V, expected V15GaSiGe to be V9GaSiGe" +mp-1216490,V9GaGe2,-8.1135690154,-0.2777934852,0.0035902417,0.0035902417,GGA,Pmmm,AB2C9_oP24_47_i_ahl_3jorxy:Ga-Ge-V,24.0,"Invalid WP multiplicities - AB2C9_oP24_47_i_ah2l_6j2o2r2x4y:Ga-Ge-V, expected V22GaGe3 to be V9GaGe2" +mp-1216775,V10(SiGe)3,-8.0198030656,-0.4582969184,0.0052045247,0.0052045247,GGA,Fmm2,A3B3C10_oF64_42_ab_ac_4cd:Ge-Si-V,16.0,"Invalid WP multiplicities - A3B3C10_oF64_42_ab_ac_8cd:Ge-Si-V, expected V6SiGe to be V10(SiGe)3" +mp-1216700,V10(SiGe)3,-7.9757160812,-0.4142099341,0.0492915091,0.0492915091,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Ge-Si-V,16.0,A3B3C10_hP16_189_f_g_fgh:Ge-Si-V +mp-1216440,V6GaSi,-8.1780494913,-0.3084431822,0.0012115512,0.0012115512,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ga-Si-V,8.0,ABC6_cP8_200_a_b_f:Ga-Si-V +mp-1216436,V6GaGe,-8.022482755,-0.2531627178,0.0014005463,0.0014005463,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ga-Ge-V,8.0,ABC6_cP8_200_a_b_f:Ga-Ge-V +mp-1216245,VSiGe,-6.6446190467,-0.2672017283,0.0696760211,0.0696760211,GGA,P3_212,ABC_hP9_153_a_a_a:Ge-Si-V,9.0,ABC_hP9_153_a_a_a:Ge-Si-V +mp-1216453,V6SiGe,-8.4692717,-0.4002989119,0.0,-0.01018279,GGA,Pm-3,ABC6_cP8_200_a_b_f:Ge-Si-V,8.0,ABC6_cP8_200_a_b_f:Ge-Si-V +mp-645435,Cu3Sn4PbO12,-6.2037818575,-1.6333409058,0.0680641419,0.0680641419,GGA,Im-3,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Pb-Sn,20.0,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Pb-Sn +mp-2229493,MgRe2(SbO6)2,-7.5169174418,-1.9811761809,0.2230326146,0.2230326146,GGA,Pm,AB12C2D2_mP17_6_a_2a2b4c_c_c:Mg-O-Re-Sb,17.0,"Invalid WP multiplicities - AB12C2D2_mP17_6_a_2a2b8c_c_c:Mg-O-Re-Sb, expected MgRe2(SbO10)2 to be MgRe2(SbO6)2" +mp-2241337,MgRe2(SbO6)2,-7.5178352318,-1.9820939709,0.2221148246,0.2221148246,GGA,Pm,AB12C2D2_mP17_6_a_2a2b4c_c_c:Mg-O-Re-Sb,17.0,"Invalid WP multiplicities - AB12C2D2_mP17_6_a_2a2b8c_c_c:Mg-O-Re-Sb, expected MgRe2(SbO10)2 to be MgRe2(SbO6)2" +mp-1445115,ReSbO6,-7.6421959469,-1.8604883603,0.0288243913,0.0288243913,GGA,P2_1/m,A6BC_mP16_11_2e2f_a_d:O-Re-Sb,16.0,"Invalid WP multiplicities - A6BC_mP16_11_4e6f_a_c:O-Re-Sb, expected ReSbO16 to be ReSbO6" +mp-974511,ReSbO3,-7.417569644,-1.1348507322,0.6038081437,0.6038081437,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-Sb,5.0,A3BC_cP5_221_c_b_a:O-Re-Sb +mp-15910,Re2SbO6,-8.4461740694,-1.9241531942,0.0,-0.0131207411,GGA,C2/c,A6B2C_mC36_15_3f_f_e:O-Re-Sb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4f_f_e:O-Re-Sb, expected Re2SbO8 to be Re2SbO6" +mp-1196004,Re2Sb4O13,-7.5084890361,-1.9446989005,0.0,-0.0034745622,GGA,P-1,A13B2C4_aP38_2_13i_2i_4i:O-Re-Sb,38.0,A13B2C4_aP38_2_13i_2i_4i:O-Re-Sb +mp-1220972,NaLiZnS2,-3.82469584,-1.2718775392,0.0,-0.014017315,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Li-Na-S-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Li-Na-S-Zn +mp-1024070,Na4Zn3S5,-3.6438823652,-1.1645839204,0.0018053035,0.0018053035,GGA,Pnma,A4B5C3_oP48_62_4c_5c_3c:Na-S-Zn,48.0,A4B5C3_oP48_62_4c_5c_3c:Na-S-Zn +mp-1024067,Na2ZnS2,-3.621414017,-1.1858752309,0.0,-0.0020048788,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Na-S-Zn,20.0,A2B2C_mP20_14_2e_2e_e:Na-S-Zn +mp-1024076,Na2ZnS2,-3.5924702855,-1.1569314994,0.0289437315,0.0269388527,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:Na-S-Zn,40.0,A2B2C_oP40_61_2c_2c_c:Na-S-Zn +mp-8257,Na2ZnS2,-3.615552393,-1.1800136069,0.005861624,0.0038567452,GGA,Ibam,A2B2C_oI20_72_j_j_a:Na-S-Zn,10.0,A2B2C_oI20_72_j_j_a:Na-S-Zn +mp-1024072,Na2Zn3S4,-3.6041301644,-1.0518989551,0.0807185295,0.0807185295,GGA,Pbca,A2B4C3_oP36_61_c_2c_ac:Na-S-Zn,36.0,A2B4C3_oP36_61_c_2c_ac:Na-S-Zn +mp-1024069,Na2Zn3S4,-3.6094154311,-1.0571842217,0.0754332629,0.0754332629,GGA,Ibam,A2B4C3_oI36_72_j_k_af:Na-S-Zn,18.0,A2B4C3_oI36_72_j_k_af:Na-S-Zn +mp-1094108,Na2Zn2S3,-3.6246398471,-1.1140845032,0.0383861443,0.0367210658,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Na-S-Zn,14.0,A2B3C2_mP14_14_e_ae_e:Na-S-Zn +mp-1094107,Na2Zn2S3,-3.6630259914,-1.1524706475,0.0,-0.0016650785,GGA,C2/c,A2B3C2_mC56_15_2ef_3f_2f:Na-S-Zn,28.0,A2B3C2_mC56_15_2ef_3f_2f:Na-S-Zn +mp-1094106,Na2Zn2S3,-3.6221192214,-1.1115638775,0.04090677,0.0392416915,GGA,P4_32_12,A2B3C2_tP28_96_b_ab_b:Na-S-Zn,28.0,A2B3C2_tP28_96_b_ab_b:Na-S-Zn +mp-8389,Na6ZnS4,-3.5638967795000003,-1.2238336124,0.0,-0.0131263336,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Na-S-Zn,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_2c_b2c_b:Na-S-Zn, expected Na6ZnS7 to be Na6ZnS4" +mp-1104812,Ho3SbO3,-7.8639155786,-3.1901592952,0.0349851798,0.0349851798,GGA,C2/m,A3B3C_mC28_12_3i_3i_i:Ho-O-Sb,14.0,A3B3C_mC28_12_3i_3i_i:Ho-O-Sb +mp-1223926,Ho2SbO2,-7.684903238,-3.0474639575,0.00107127,-0.0246983785,GGA,Imm2,A2B2C_oI10_44_c_c_a:Ho-O-Sb,5.0,A2B2C_oI10_44_c_c_a:Ho-O-Sb +mp-1067935,Ho2SbO2,-7.685974508,-3.0485352275,0.0,-0.0257696485,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ho-O-Sb,5.0,A2B2C_tI10_139_e_d_a:Ho-O-Sb +mp-1224219,Ho2CrSbO7,-8.1943601477,-2.9603885633,0.0751876186,0.0751876186,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Cr-Ho-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Cr-Ho-O-Sb, expected Ho2CrSbO13 to be Ho2CrSbO7" +mp-1223897,Ho8Sb3O8,-7.8368555432,-3.1726563658,0.0060119914,0.0060119914,GGA,C2,A8B8C3_mC38_5_4c_4c_ac:Ho-O-Sb,19.0,A8B8C3_mC38_5_4c_4c_ac:Ho-O-Sb +mp-1040783,Ho(SbO3)2,-7.0754254617,-2.3509206153,0.177260274,0.177260274,GGA,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Ho-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_4a4b_b:Ho-O-Sb, expected Ho(SbO6)2 to be Ho(SbO3)2" +mp-755742,Ho2Sb2O7,-7.5116029623,-2.7798173987,0.1256308482,0.1256308482,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ho-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_2a2c_e4h4j_2b2d:Ho-O-Sb, expected Ho4Sb4O25 to be Ho2Sb2O7" +mp-780448,Ho2Sb2O7,-7.5608521844,-2.8290666209,0.0763816261,0.0763816261,GGA,P3_121,A2B7C2_hP66_152_abc_7c_abc:Ho-O-Sb,66.0,"Invalid WP multiplicities - A2B7C2_hP66_152_3a3b3c_42c_2a3b2c:Ho-O-Sb, expected Ho4Sb3O28 to be Ho2Sb2O7" +mp-1207180,HoSbO3,-6.577825058,-1.8675298092,1.0767345525,1.0767345525,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ho-O-Sb,5.0,AB3C_cP5_221_a_c_b:Ho-O-Sb +mp-1212288,HoSbO4,-7.6227956437,-2.8731014846000003,0.0,-0.1937461564,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Ho-O-Sb,24.0,AB4C_aP24_2_2i_8i_2i:Ho-O-Sb +mp-1238219,HoSbO4,-7.6224203875,-2.8727262283,0.0003752562,-0.1933709001,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ho-O-Sb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_5e_e:Ho-O-Sb, expected HoSbO5 to be HoSbO4" +mp-771762,Ho3Sb5O12,-7.3593475548,-2.6717226875,0.0,-0.0634979915,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Ho-O-Sb,40.0,"Invalid WP multiplicities - A3B12C5_cI80_217_d_5g_2c2e:Ho-O-Sb, expected Ho3(SbO3)10 to be Ho3Sb5O12" +mp-1222042,Mn6ZnSnC2,-5.70518842,2.1646854002,2.2372626194,2.2372626194,GGA,P4/mmm,A2B6CD_tP10_123_h_efg_a_b:C-Mn-Sn-Zn,10.0,"Invalid WP multiplicities - A2B6CD_tP10_123_h_2e2fg_a_b:C-Mn-Sn-Zn, expected Mn10ZnSnC2 to be Mn6ZnSnC2" +mp-2930,Mn3ZnC,-7.62638847,-0.0314974743,0.04248646,0.04248646,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Mn-Zn,5.0,AB3C_cP5_221_b_c_a:C-Mn-Zn +mp-672229,Mn3ZnC,-5.596448316,1.9984426797,2.072426614,2.072426614,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Mn-Zn,5.0,AB3C_cP5_221_a_c_b:C-Mn-Zn +mp-19971,ZnCo2Ge,-5.1677348625,-0.1428830987,0.0,-0.0020124179,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ge-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Ge-Zn +mp-1364220,Zn3Co2(GeO4)3,-6.2801368271,-1.7188761011,0.1134181739,0.1134181739,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Co-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Co-Ge-O-Zn +mp-1043317,ZnCo(GeO3)2,-6.6105478705,-1.8811229322,0.0165960908,0.0165960908,GGA+U,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Co-Ge-O-Zn,40.0,AB2C6D_mP40_14_e_2e_6e_e:Co-Ge-O-Zn +mp-1043196,ZnCo(GeO3)2,-6.6104272873,-1.881002349,0.0167166741,0.0167166741,GGA+U,C2/c,AB2C6D_mC40_15_e_f_3f_e:Co-Ge-O-Zn,40.0,AB2C6D_mC40_15_e_f_3f_e:Co-Ge-O-Zn +mp-1219914,Pr6Cd(GeS7)2,-6.0174126487,-1.8102527297,0.0,-0.0146962504,GGA,P3,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cd-Ge-Pr-S,23.0,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cd-Ge-Pr-S +mp-1209190,Sm7Al7Co6,-5.5150349865,-0.4200829603,0.0,-0.0127287657,GGA,P4/mbm,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Sm,40.0,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Sm +mp-1191886,Sm3AlCoS7,-6.3478310954,-1.8507643372,0.0451038597,0.0451038597,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Co-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Co-S-Sm +mp-1208953,Sm2(Al3Co)3,-5.1460611421,-0.5408962761,0.0,-0.0185439052,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Sm,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Sm +mp-1200854,Sm(Al4Co)2,-4.9093264882,-0.4638875459,0.0,-0.0096757452,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Co-Sm,44.0,A8B2C_oP44_55_ad2g5h_2g_g:Al-Co-Sm +mp-987731,NaLa6OsI12,-3.497629905,-0.5053133273,1.1213594735,1.1087516344,GGA,P-1,A12B6CD_aP20_2_6i_3i_a_e:I-La-Na-Os,20.0,"Invalid WP multiplicities - A12B6CD_aP20_2_12i_6i_a_e:I-La-Na-Os, expected NaLa12OsI24 to be NaLa6OsI12" +mp-569905,NaLa6OsI12,-4.6189893785,-1.6266728008,0.0,-0.0126078391,GGA,R-3,A12B6CD_hR60_148_2f_f_a_b:I-La-Na-Os,20.0,"Invalid WP multiplicities - A12B6CD_hR60_148_8f_f_a_b:I-La-Na-Os, expected NaLa6OsI48 to be NaLa6OsI12" +mp-560710,Cs2TlMoF6,-5.4118139020000005,-2.7650167214,0.0,-0.1280568998,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mo-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mo-Tl +mp-1225193,Gd2Fe17N2,-9.157296381,-0.1660775762,0.1689455938,0.1689455938,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_i_e:Fe-Gd-N,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_i_f:Fe-Gd-N, expected Gd2Fe25N2 to be Gd2Fe17N2" +mp-1226068,GdFe10Mo2N,-9.3159712993,-0.1156763361,0.13711058,0.13711058,GGA,Immm,A10BC2D_oI28_71_efgk_c_h_a:Fe-Gd-Mo-N,14.0,A10BC2D_oI28_71_efgk_c_h_a:Fe-Gd-Mo-N +mp-1192196,Ba7In2(Se3F4)2,-5.3417898248,-2.9416379706,0.0250079882,0.0250079882,GGA,C2/m,A7B8C2D6_mC46_12_a3i_4i_i_3i:Ba-F-In-Se,23.0,A7B8C2D6_mC46_12_a3i_4i_i_3i:Ba-F-In-Se +mp-1111127,K2NaGaCl6,-3.699680026,-1.933416109,0.0766342057,0.0766342057,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Na +mp-30219,KGaCl4,-3.8162405196,-1.8941335847,0.0,-0.0961377871,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Cl-Ga-K,24.0,A4BC_mP24_14_4e_e_e:Cl-Ga-K +mp-1110859,K3GaCl6,-3.683344444,-1.9382931617,0.1014806857,0.1014806857,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Cl-Ga-K,10.0,A6BC3_cF40_225_e_a_bc:Cl-Ga-K +mp-1197510,CoN5Cl3,-4.6679334381,1.3694446064,1.6967103958,1.6967103958,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Cl-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Cl-Co-N +mp-1201305,CoN5Cl3,-4.7207204728,1.3166575717,1.6439233611,1.6439233611,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Cl-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Cl-Co-N +mp-1080142,Co(N2Cl)3,-3.841565811,2.4257239215,2.720263132,2.720263132,GGA,Fm-3m,A3BC6_cF40_225_ac_b_e:Cl-Co-N,10.0,A3BC6_cF40_225_ac_b_e:Cl-Co-N +mp-1204466,CoN3Cl5,-3.5922747192,1.0033348219,1.3306006114,1.3306006114,GGA,Pnma,A5BC3_oP36_62_3cd_c_cd:Cl-Co-N,36.0,A5BC3_oP36_62_3cd_c_cd:Cl-Co-N +mp-1079107,Co(N3Cl)2,-4.3818705689,2.3763917272,2.7036575167,2.7036575167,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Cl-Co-N,9.0,A2BC6_cF36_225_c_a_e:Cl-Co-N +mp-1216786,TlNCl4,-2.870470385,0.1450770669,0.8961993858,0.8961993858,GGA,Amm2,A4BC_oC12_38_cd_b_a:Cl-N-Tl,6.0,A4BC_oC12_38_cd_b_a:Cl-N-Tl +mp-1182597,Co(N4Cl)2,-5.9706976216,1.0745160616,1.3422789802,1.3422789802,GGA,P2_1/c,A2BC8_mP44_14_2e_e_8e:Cl-Co-N,44.0,A2BC8_mP44_14_2e_e_8e:Cl-Co-N +mp-2353285,TlCoCl3,-4.130708261,-1.1273940767,0.0042761323,0.0042761323,GGA,C2/m,A3BC_mC20_12_ij_ac_i:Cl-Co-Tl,10.0,A3BC_hP10_164_i_ab_d:Cl-Co-Tl +mp-567620,TlCoCl3,-4.12726998,-1.1239557957,0.0077144133,0.0077144133,GGA,Pbca,A3BC_oP40_61_3c_c_c:Cl-Co-Tl,40.0,"Invalid WP multiplicities - A3BC_oP40_61_16c_c_c:Cl-Co-Tl, expected TlCoCl16 to be TlCoCl3" +mp-567430,TlCoCl3,-4.0097369087,-1.0064227243,0.1252474847,0.1252474847,GGA,P6_3cm,A3BC_hP30_185_cd_ab_c:Cl-Co-Tl,30.0,"Invalid WP multiplicities - A3BC_hP30_185_4c4d_a2b_c:Cl-Co-Tl, expected Tl3Co5Cl36 to be TlCoCl3" +mp-569753,TlCoCl3,-4.124859668,-1.1215454837,0.0101247253,0.0101247253,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Co-Tl,10.0,A3BC_hP10_194_h_a_c:Cl-Co-Tl +mp-27333,Tl3CoCl5,-3.8359110511,-1.2315854361,0.0,-0.0168099972,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Cl-Co-Tl,18.0,A5BC3_tI36_140_cl_b_ah:Cl-Co-Tl +mp-1179462,TlCo(NCl)6,-4.3340821786,0.7074285680000001,1.2397232836,1.2397232836,GGA,P1,A6BC6D_aP56_1_24a_4a_24a_4a:Cl-Co-N-Tl,56.0,A6BC6D_aP56_1_24a_4a_24a_4a:Cl-Co-N-Tl +mp-1199809,TlCo(NCl)6,-4.2705827313,0.7709280153,1.3032227309,1.3032227309,GGA,Pa-3,A6BC6D_cP56_205_d_a_d_b:Cl-Co-N-Tl,56.0,A6BC6D_cP56_205_d_a_d_b:Cl-Co-N-Tl +mp-1112028,K2HgSbBr6,-2.937653453,-1.3404885051,0.0632277052,0.0632277052,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Sb +mp-1207026,Y2Ge6Pt,-5.7323219022,-0.5387393826,0.06047398,0.06047398,GGA,Amm2,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Y,9.0,A6BC2_oC18_38_2a4b_b_2a:Ge-Pt-Y +mp-570801,Y3(Ge3Pt2)2,-6.3695549942,-0.8755462442,0.0,-0.0024812955,GGA,P2_1/m,A6B4C3_mP26_11_6e_4e_3e:Ge-Pt-Y,26.0,"Invalid WP multiplicities - A6B4C3_mP26_11_11e_7e_5e:Ge-Pt-Y, expected Y5Ge11Pt7 to be Y3(Ge3Pt2)2" +mp-1095607,YGePt,-6.8567104842,-1.1364997214,0.0,-0.1394343042,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pt-Y,12.0,ABC_oP12_62_c_c_c:Ge-Pt-Y +mp-1215949,YGePt,-6.8146726333,-1.0944618706,0.0420378508,-0.0973964533,GGA,P-6m2,ABC_hP3_187_a_c_f:Ge-Pt-Y,3.0,ABC_hP3_187_a_c_f:Ge-Pt-Y +mp-1207911,Y2(GePt3)3,-6.5881290421,-0.7708272085000001,0.0,-0.0163192929,GGA,C2/c,A3B9C2_mC56_15_cf_e4f_f:Ge-Pt-Y,28.0,A3B9C2_mC56_15_cf_e4f_f:Ge-Pt-Y +mp-1105716,YGe2Pt,-6.3133568675,-0.8674418317,0.0,-0.0150670406,GGA,Immm,A2BC_oI32_71_efm_m_ei:Ge-Pt-Y,16.0,A2BC_oI32_71_efm_m_ei:Ge-Pt-Y +mp-1200879,Y3Ge13Pt4,-5.7048999295,-0.5157344927,0.0562778361,0.0562778361,GGA,Cc,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Y,40.0,A13B4C3_mC80_9_13a_4a_3a:Ge-Pt-Y +mp-1195116,Y3Ge13Pt4,-5.7058778295,-0.5167123928,0.0552999361,0.0552999361,GGA,R3c,A13B4C3_hR120_161_a4b_ab_b:Ge-Pt-Y,40.0,A13B4C3_hR120_161_a4b_ab_b:Ge-Pt-Y +mp-1227301,CeY(GePt)4,-6.396054688,-0.8784341912,0.0058946868,0.0058946868,GGA,Pm,AB4C4D_mP10_6_a_2a2b_2a2b_b:Ce-Ge-Pt-Y,10.0,AB4C4D_mP10_6_a_2a2b_2a2b_b:Ce-Ge-Pt-Y +mp-1236209,LiAgClO4,-4.2427280929,-0.4746180393,0.4539355996,0.4539355996,GGA,R3m,ABCD4_hR21_160_a_a_a_ab:Ag-Cl-Li-O,7.0,"Invalid WP multiplicities - ABCD4_hR21_160_a_a_a_a2b:Ag-Cl-Li-O, expected LiAgClO7 to be LiAgClO4" +mp-1235058,LiAgClO4,-4.0632968314,-0.2951867779,0.6333668610000001,0.6333668610000001,GGA,F-43m,ABCD4_cF28_216_a_b_c_e:Ag-Cl-Li-O,7.0,ABCD4_cF28_216_a_b_c_e:Ag-Cl-Li-O +mp-1235767,LiAgClO4,-4.2461392486,-0.478029195,0.4505244438,0.4505244438,GGA,F-43m,ABCD4_cF28_216_a_b_c_e:Ag-Cl-Li-O,7.0,ABCD4_cF28_216_a_b_c_e:Ag-Cl-Li-O +mp-555048,NaAlCdF6,-5.1838275106,-3.2438425452,0.0,-0.0072922578,GGA,Pnma,ABC6D_oP36_62_c_c_6c_c:Al-Cd-F-Na,36.0,"Invalid WP multiplicities - ABC6D_oP36_62_c_c_22c_c:Al-Cd-F-Na, expected NaAlCdF22 to be NaAlCdF6" +mp-1180887,NaCdF3,-4.180694893,-2.5847245018,0.088913099,0.079109683,GGA,Cc,AB3C_mC20_9_a_3a_a:Cd-F-Na,,"Invalid WP multiplicities - AB3C_mC20_9_a_4a_a:Cd-F-Na, expected NaCdF4 to be NaCdF3" +mp-4360,NaCdF3,-4.269607992,-2.6736376008,0.0,-0.009803416,GGA,R3c,AB3C_hR30_161_a_b_a:Cd-F-Na,10.0,AB3C_hR30_161_a_b_a:Cd-F-Na +mp-555273,Ca3Ge(ClO2)2,-6.3341146628,-2.9217490968,0.0129687868,0.0129687868,GGA,Pnma,A3B2CD4_oP40_62_cd_d_c_2cd:Ca-Cl-Ge-O,40.0,"Invalid WP multiplicities - A3B2CD4_oP40_62_4c5d_d_c_6c4d:Ca-Cl-Ge-O, expected Ca14Ge(ClO7)2 to be Ca3Ge(ClO2)2" +mp-29937,Ho5(ReO6)2,-9.0094507758,-3.3693790255,0.0,-0.0335391353,GGA,C2/m,A5B12C2_mC38_12_a2i_2i2j_h:Ho-O-Re,19.0,"Invalid WP multiplicities - A5B12C2_mC38_12_a2i_2i3j_h:Ho-O-Re, expected Ho5(ReO8)2 to be Ho5(ReO6)2" +mp-769285,Ho3ReO8,-8.7778384525,-3.2973998287,0.0292165619,-0.0155097759,GGA,P2_1/m,A3B8C_mP24_11_3e_4e2f_e:Ho-O-Re,24.0,"Invalid WP multiplicities - A3B8C_oC48_63_2c3g_4c2e2f3g_c:Ho-O-Re, expected Ho8ReO18 to be Ho3ReO8" +mp-769345,Ho3ReO8,-8.8070550144,-3.3266163906,0.0,-0.0447263378,GGA,P2_1/c,A3B8C_mP48_14_3e_8e_e:Ho-O-Re,48.0,"Invalid WP multiplicities - A3B8C_mP48_14_9e_29e_e:Ho-O-Re, expected Ho9ReO29 to be Ho3ReO8" +mp-558969,Ho3ReO7,-8.9084735982,-3.3795122551,0.0451512549,0.0451512549,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Ho-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_20_2a2c_6b8c_a:Ho-O-Re, expected Ho6ReO22 to be Ho3ReO7" +mp-769395,Ho3ReO7,-8.8873697795,-3.3584084365,0.0662550736,0.0662550736,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Ho-O-Re,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_a2g_c2g2h_b:Ho-O-Re, expected Ho5ReO13 to be Ho3ReO7" +mp-753766,Ho6ReO12,-8.8694792895,-3.64320324,0.0,-0.0083703028,GGA,R-3,A6B12C_hR57_148_f_2f_a:Ho-O-Re,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:Ho-O-Re, expected Ho6ReO42 to be Ho6ReO12" +mp-13933,Ba2HoReO6,-8.107559984,-3.0530581637,0.0,-0.0255425767,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Re +mp-973773,Nd2Cd2O5,-6.1640633122,-2.1512279854,0.5568769508,0.5568769508,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Cd-Nd-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Cd-Nd-O, expected Nd2Cd2O9 to be Nd2Cd2O5" +mp-1206271,Nd2CdAs2O,-4.53706957,-0.4163845456,1.3280689437,1.3280689437,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Cd-Nd-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Cd-Nd-O +mp-1215494,YbZnCuP2,-4.167437242,-0.6224045273000001,0.0,-0.0765284238,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Cu-P-Yb-Zn,,AB2CD_hP5_156_a_ab_c_b:Cu-P-Yb-Zn +mp-9582,Yb(ZnP)2,-3.722390596,-0.7452504933,0.0,-0.3452254838,GGA,P-3m1,A2BC2_hP5_164_d_a_d:P-Yb-Zn,,A2BC2_hP5_164_d_a_d:P-Yb-Zn +mp-21356,EuCuSeF,-7.1509153912,-2.2100156625,0.0,-0.0082490009,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-Se,8.0,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-Se +mp-1235180,LiCe10(Pb3O)2,-5.8283688616,-0.9121017953,0.0762055789,0.0762055789,GGA,Cm,A10BC2D6_mC38_8_4a3b_a_2a_2a2b:Ce-Li-O-Pb,19.0,"Invalid WP multiplicities - A10BC2D6_mC38_8_4a6b_a_2a_2a4b:Ce-Li-O-Pb, expected LiCe16(Pb5O)2 to be LiCe10(Pb3O)2" +mp-1235821,LiCe10(Pb3O)2,-5.82554362,-0.9092765537,0.0790308205,0.0790308205,GGA,Fmm2,A10BC2D6_oF76_42_2cde_a_c_2abd:Ce-Li-O-Pb,19.0,"Invalid WP multiplicities - A10BC2D6_oF76_42_2c4d2e_a_d_2a2bc:Ce-Li-O-Pb, expected LiCe20(Pb4O)2 to be LiCe10(Pb3O)2" +mp-1185218,LiCe2Pb,-4.479716865,-0.1077798033,0.187568723,0.187568723,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ce-Li-Pb,4.0,A2BC_cF16_225_c_a_b:Ce-Li-Pb +mp-865932,Li2CePb,-3.6240011475,-0.2581056579,0.0536761011,0.0536761011,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Li-Pb,4.0,AB2C_cF16_225_a_c_b:Ce-Li-Pb +mp-1228714,BaIn8Ni2O15,-6.1508805596,-1.9319171439,0.0199401072,0.0199401072,GGA+U,Cmc2_1,AB8C2D15_oC104_36_a_2a3b_b_3a6b:Ba-In-Ni-O,52.0,"Invalid WP multiplicities - AB8C2D15_oC104_36_a_4a8b_b_5a16b:Ba-In-Ni-O, expected BaIn20Ni2O37 to be BaIn8Ni2O15" +mp-554364,MgBeAl4O8,-7.5983919336,-3.3201415104,0.0462302405,0.0462302405,GGA,P6_3mc,A4BCD8_hP56_186_ab2c_2b_ab_a3b4c:Al-Be-Mg-O,56.0,"Invalid WP multiplicities - A4BCD8_hP56_186_2a2b10c_3b_2ab_2a6b18c:Al-Be-Mg-O, expected Mg3Be3Al34O62 to be MgBeAl4O8" +mp-3081,BeAl2O4,-7.7846909032,-3.3536452789,0.0,-0.0134248035,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Al-Be-O,28.0,A2BC4_oP28_62_ac_c_2cd:Al-Be-O +mp-1185722,Mg16BeAl12,-2.5446955648,0.0170562843,0.0428672378,0.0428672378,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Be-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b6c:Al-Be-Mg, expected Mg61BeAl39 to be Mg16BeAl12" +mp-17313,Mg3BeAl8O16,-7.5745878095,-3.3727349868,0.0,-0.0030427263,GGA,P6_3mc,A8BC3D16_hP56_186_2b2c_b_2ab_a3b4c:Al-Be-Mg-O,56.0,"Invalid WP multiplicities - A8BC3D16_hP56_186_2b3c_b_2ab_a3b4c:Al-Be-Mg-O, expected Mg3BeAl11O16 to be Mg3BeAl8O16" +mp-554018,Mg3BeAl8O16,-7.5527584412,-3.3509056186,0.0218293682,0.0187866419,GGA,P6_3mc,A8BC3D16_hP56_186_ab2c_b_a2b_a3b4c:Al-Be-Mg-O,56.0,"Invalid WP multiplicities - A8BC3D16_hP56_186_2a2b5c_b_a4b_2a6b17c:Al-Be-Mg-O, expected Mg5BeAl19O59 to be Mg3BeAl8O16" +mp-560974,BeAl6O10,-7.8476715967,-3.3959213051,0.0010587417,0.0010587417,GGA,P2_1/c,A6BC10_mP136_14_12e_2e_20e:Al-Be-O,136.0,"Invalid WP multiplicities - A6BC10_mP136_14_44e_5e_73e:Al-Be-O, expected Be5Al44O73 to be BeAl6O10" +mp-1147540,Ba2Cu(SBr)2,-4.4027770157,-1.6433323095,0.2800714657,0.2800714657,GGA,I4/mmm,A2B2CD2_tI14_139_e_c_a_e:Ba-Br-Cu-S,7.0,A2B2CD2_tI14_139_e_c_a_e:Ba-Br-Cu-S +mp-1147542,Ba2Cu(SBr)2,-4.66998008,-1.9105353738,0.0128684014,0.0128684014,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_c:Ba-Br-Cu-S,7.0,A2B2CD2_tI14_139_e_e_a_c:Ba-Br-Cu-S +mp-1191351,CsGaH4,-3.2308855071,-0.3151517447,0.0,-0.2305674313,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cs-Ga-H,24.0,ABC4_oP24_62_c_c_2cd:Cs-Ga-H +mp-984550,CsGaH4,-3.2299333942,-0.3141996317,0.0009521129,-0.2296153184,GGA,P4_2/nmc,ABC4_tP12_137_a_b_g:Cs-Ga-H,12.0,ABC4_tP12_137_a_b_g:Cs-Ga-H +mp-989648,Cs2AlGaH6,-3.056635048,-0.1645517613,0.0878529439,0.0878529439,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Al-Cs-Ga-H,10.0,AB2CD6_cF40_225_a_c_b_e:Al-Cs-Ga-H +mp-14883,Ba4Zr3S10,-6.5018251159,-2.1086780383,0.0290159344,0.0290159344,GGA,I4/mmm,A4B10C3_tI34_139_2e_c2eg_ae:Ba-S-Zr,17.0,"Invalid WP multiplicities - A4B10C3_tI34_139_2e_c3eg_ae:Ba-S-Zr, expected Ba4(ZrS4)3 to be Ba4Zr3S10" +mp-540771,BaZrS3,-6.683471457,-2.1082664229,0.0,-0.018513945,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-S-Zr,20.0,AB3C_oP20_62_c_cd_a:Ba-S-Zr +mp-3813,Ba2ZrS4,-6.3071943914,-2.1741301089,0.001551585,0.001551585,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Ba-S-Zr,7.0,A2B4C_tI14_139_e_ce_a:Ba-S-Zr +mp-554172,Ba3Zr2S7,-6.4501870129,-2.1328974172,0.0170580346,0.0137894892,GGA,Cccm,A3B7C2_oC48_66_el_f2gl_l:Ba-S-Zr,24.0,"Invalid WP multiplicities - A3B7C2_oC48_66_el_2f6g4l_l:Ba-S-Zr, expected Ba3(ZrS11)2 to be Ba3Zr2S7" +mp-8570,Ba3Zr2S7,-6.4672450475,-2.1499554518,0.0,-0.0032685454,GGA,P4_2/mnm,A3B7C2_tP48_136_fj_2eghj_j:Ba-S-Zr,48.0,A3B7C2_tP48_136_fj_2eghj_j:Ba-S-Zr +mp-9179,Ba3Zr2S7,-6.4575006783,-2.1402110827,0.0097443692,0.0064758237,GGA,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Ba-S-Zr,12.0,A3B7C2_tI24_139_ae_beg_e:Ba-S-Zr +mp-1202124,Ba6Zr(Zn3S7)2,-4.8896590433,-1.7218697816,0.0075696493,0.0075696493,GGA,I4/mcm,A6B14C6D_tI108_140_hj_ab2kl_hl_c:Ba-S-Zn-Zr,54.0,A6B14C6D_tI108_140_hj_ab2kl_hl_c:Ba-S-Zn-Zr +mp-1213125,ErTl(MoO4)2,-8.0632844452,-2.3803534563,0.0,-0.022454246,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Er-Mo-O-Tl,48.0,AB2C8D_oP48_60_c_d_4d_c:Er-Mo-O-Tl +mp-754823,ErTlO2,-6.9501736025,-2.7442387577,0.0995730981,0.0995730981,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-O-Tl,4.0,AB2C_hR12_166_a_c_b:Er-O-Tl +mp-1184219,ErTlO3,-6.351558452,-1.9974728339,0.5838220385,0.5838220385,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Er-O-Tl,5.0,AB3C_cP5_221_b_c_a:Er-O-Tl +mp-559025,BaErAgS3,-5.4793657308,-1.8579325052,0.0020803633,0.0020803633,GGA,C2/m,ABCD3_mC24_12_i_i_i_ad2i:Ag-Ba-Er-S,12.0,ABCD3_mC24_12_i_i_i_ac2i:Ag-Ba-Er-S +mp-1197880,ErAgS2,-5.4789521803,-1.5606585435,0.0037188039,0.0037188039,GGA,P2_1,ABC2_mP32_4_4a_4a_8a:Ag-Er-S,32.0,ABC2_mP32_4_4a_4a_8a:Ag-Er-S +mp-36029,ErAgS2,-5.4684968588,-1.550203222,0.0141741254,0.0141741254,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Er-S,8.0,ABC2_tI16_141_a_b_e:Ag-Er-S +mp-1079321,ErAgS2,-5.4716311862,-1.5533375495,0.0110397979,0.0110397979,GGA,I4_1md,ABC2_tI16_109_a_a_2a:Ag-Er-S,8.0,ABC2_tI16_109_a_a_2a:Ag-Er-S +mp-1225499,ErAgS2,-5.37630164,-1.4580080032,0.1063693442,0.1063693442,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Er-S,4.0,ABC2_tP4_123_a_d_bc:Ag-Er-S +mp-1225516,ErAgS2,-5.4510882375,-1.5327946007,0.0315827467,0.0315827467,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Er-S,4.0,ABC2_hR12_166_a_b_c:Ag-Er-S +mp-1192439,Ba(ErS2)2,-6.3682416793,-2.4253542468,0.0,-0.0692827224,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Er-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Er-S +mp-1214081,Ca2ScTaO6,-8.818255823,-3.6300979467,0.0,-0.0223244873,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Sc-Ta,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Sc-Ta +mp-542765,EuDyCuS3,-7.1603770512,-1.9316528995,0.0,-0.0343753949,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Dy-Eu-S,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Dy-Eu-S +mp-1193960,Eu(DyS2)2,-7.5492463582,-2.4040499371,0.0,-0.0232599096,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Dy-Eu-S,28.0,A2BC4_oP28_62_2c_c_4c:Dy-Eu-S +mp-1210000,Nd3Cd2Si3O13,-7.6688622631,-3.0625227796,0.0521288793,0.0521288793,GGA,P6_3/m,A2B3C13D3_hP42_176_f_h_a2hi_h:Cd-Nd-O-Si,42.0,A2B3C13D3_hP42_176_f_h_a2hi_h:Cd-Nd-O-Si +mp-1220271,Nd6Cd5Si7,-4.4109271450000005,-0.4553405003,0.0520086839,0.0520086839,GGA,Cm,A5B6C7_mC36_8_5a_6a_7a:Cd-Nd-Si,18.0,A5B6C7_mC36_8_5a_6a_7a:Cd-Nd-Si +mp-1220265,Nd4CdSi3O13,-8.2456272014,-3.4561802097,0.0,-0.018922151,GGA,P6_3,AB4C13D3_hP42_173_b_bc_a4c_c:Cd-Nd-O-Si,42.0,AB4C13D3_hP42_173_b_bc_a4c_c:Cd-Nd-O-Si +mp-975387,RbBaO3,-4.828164082,-1.2802490527,0.515827346,0.515827346,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ba-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ba-O-Rb +mp-1210469,Rb2Ba(Ge4O9)2,-6.7288717475,-2.249400619,0.0014222119,0.0014222119,GGA,P-3c1,AB8C18D2_hP174_165_f_ab2d3g_9g_g:Ba-Ge-O-Rb,174.0,AB8C18D2_hP174_165_f_ab2d3g_9g_g:Ba-Ge-O-Rb +mp-5238,GaCuS2,-4.67880054,-0.8287499334,0.0,-0.1116238627,GGA,I-42d,ABC2_tI16_122_a_b_d:Cu-Ga-S,8.0,ABC2_tI16_122_a_b_d:Cu-Ga-S +mp-1096985,GaCuS2,-4.50365721,-0.6536066034,0.17514333,0.0635194673,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-Ga-S,4.0,ABC2_hR12_160_a_a_2a:Cu-Ga-S +mp-1226247,Cr4GaCuS8,-6.6173937964,-0.9866015459,0.0,-0.0398542657,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ga-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Ga-S +mp-1235189,LiZn(SbO2)4,-5.8844261636,-1.6516989402000002,0.206239174,0.206239174,GGA,P1,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn,14.0,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn +mp-1235209,LiZn(SbO2)4,-5.9439578629,-1.7112306395,0.1467074747,0.1467074747,GGA,P1,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn,14.0,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn +mp-1235219,LiZn(SbO2)4,-5.8876355007,-1.6549082774,0.2030298369,0.2030298369,GGA,P1,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn,14.0,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn +mp-1235430,LiZn(SbO2)4,-5.9303067693,-1.697579546,0.1603585683,0.1603585683,GGA,P1,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn,14.0,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn +mp-1235509,LiZn(SbO2)4,-5.920924925,-1.6881977017,0.1697404126,0.1697404126,GGA,P1,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn,14.0,AB8C4D_aP14_1_a_8a_4a_a:Li-O-Sb-Zn +mp-557328,Li3Zn2SbO6,-5.5554637883,-2.050848011,0.0225662025,0.0225662025,GGA,C2/m,A3B6CD2_mC24_12_ag_ij_d_h:Li-O-Sb-Zn,12.0,"Invalid WP multiplicities - A3B6CD2_mC24_12_ag_2i3j_d_h:Li-O-Sb-Zn, expected Li3Zn2SbO16 to be Li3Zn2SbO6" +mp-9919,LiZnSb,-2.8622002133,-0.4296443078,0.0,-0.069725192,GGA,P6_3mc,ABC_hP6_186_a_b_b:Li-Sb-Zn,6.0,ABC_hP6_186_a_b_b:Li-Sb-Zn +mp-1100430,LiZnSb,-2.8560786467,-0.4235227411,0.0061215667,-0.0636036253,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Sb-Zn,3.0,ABC_cF12_216_a_c_b:Li-Sb-Zn +mp-1222606,Li2ZnSb,-2.6092337225,-0.3075860767,0.1934689263,0.1934689263,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Sb-Zn,4.0,A2BC_cF16_216_ac_b_d:Li-Sb-Zn +mp-1224037,La2InCuS5,-5.8673256478,-1.7111974317,0.0,-0.0009493561,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-La-S,36.0,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-La-S +mp-15652,Rh3(PbS)2,-5.9082436743,-0.5095126052,0.0,-0.0612130471,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Pb-Rh-S,7.0,A2B3C2_hR21_166_ab_d_c:Pb-Rh-S +mp-1077883,In2Rh3S2,-5.7645211171,-0.6403510023,0.0,-0.0486139401,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:In-Rh-S,7.0,A2B3C2_hR21_166_ab_d_c:In-Rh-S +mp-1077905,InRh3PbS2,-5.8414923514,-0.5800417595,0.0,-0.0051099557,GGA,R-3m,ABC3D2_hR21_166_b_a_d_c:In-Pb-Rh-S,7.0,ABC3D2_hR21_166_b_a_d_c:In-Pb-Rh-S +mp-27180,NdSBr,-5.871529285,-2.3856540752,0.0,-0.0190338053,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-Nd-S,12.0,ABC_mP12_14_e_e_e:Br-Nd-S +mp-559237,Nd3Si2S8Br,-6.0874104446,-1.8160029002,0.0,-0.018026134,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Br-Nd-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e2f_13f_f:Br-Nd-S-Si, expected Nd6Si2S26Br to be Nd3Si2S8Br" +mp-28297,Nd3S2Br5,-5.3948612535,-2.3606128854,0.02017523,0.02017523,GGA,Pnma,A5B3C2_oP40_62_c2d_cd_d:Br-Nd-S,40.0,A5B3C2_oP40_62_c2d_cd_d:Br-Nd-S +mp-555088,Nd4(SBr2)3,-5.5014538508,-2.3629839038,0.0189271254,0.0189271254,GGA,C2/c,A6B4C3_mC52_15_3f_2f_ef:Br-Nd-S,26.0,"Invalid WP multiplicities - A6B4C3_mC52_15_7f_7f_2e2f:Br-Nd-S, expected Nd7S3Br7 to be Nd4(SBr2)3" +mp-1247097,SmMgTiS4,-6.2122297957,-1.8179215573,0.1164230205,0.1164230205,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sm-Ti,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sm-Ti, expected SmMgTiS12 to be SmMgTiS4" +mp-1247047,Sm3Mg2TiS8,-6.1218390514,-1.9544526617,0.0978337647,0.0978337647,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sm-Ti,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sm-Ti, expected Sm3Mg2TiS22 to be Sm3Mg2TiS8" +mp-1246585,SmMg2Ti3S8,-6.3317500793,-1.7105199921,0.1058827371,0.1058827371,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Sm-Ti,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c2h_a_d:Mg-S-Sm-Ti, expected SmMg2Ti3S16 to be SmMg2Ti3S8" +mp-619100,LiEuTiO4,-8.8637244379,-3.1711285052,0.0350346407,0.0350346407,GGA,Pbcm,ABC4D_oP28_57_d_c_2c2d_d:Eu-Li-O-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_57_d_c_6c7d_d:Eu-Li-O-Ti, expected LiEuTiO13 to be LiEuTiO4" +mp-1220307,Nd3Ga5SiO14,-7.4667290257,-2.939603704,0.0196063055,0.0196063055,GGA,P3,A5B3C14D_hP23_143_acd_d_ab4d_b:Ga-Nd-O-Si,23.0,A5B3C14D_hP23_143_acd_d_ab4d_b:Ga-Nd-O-Si +mp-768931,Ga10Si2O19,-6.7484405939,-2.3897734391,0.0732005502,0.0732005502,GGA,Cmc2_1,A10B19C2_oC124_36_6a2b_11a4b_2a:Ga-O-Si,62.0,"Invalid WP multiplicities - A10B19C2_oC124_36_11a4b_21a8b_3a:Ga-O-Si, expected Ga19Si3O37 to be Ga10Si2O19" +mp-1220299,Nd3(GaSi2)2,-5.3395407211,-0.6659955586,0.0,-0.0319844033,GGA,Imm2,A2B3C4_oI36_44_3ab_3a3b_3a5b:Ga-Nd-Si,,A2B3C4_oI36_44_3ab_3a3b_3a5b:Ga-Nd-Si +mp-755053,Ga4SiO8,-6.8252833462,-2.4321132069,0.06801731,0.06801731,GGA,C2/m,A4B8C_mC26_12_2i_4i_a:Ga-O-Si,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_3i_7i_a:Ga-O-Si, expected Ga6SiO14 to be Ga4SiO8" +mp-1220297,Nd3(Ga2Si)2,-4.8264725739,-0.6856434131,0.0,-0.0058728072,GGA,Imm2,A4B3C2_oI36_44_3a5b_3a3b_3ab:Ga-Nd-Si,,A4B3C2_oI36_44_3a5b_3a3b_3ab:Ga-Nd-Si +mp-1220152,NdGaSi,-5.0803688633,-0.6731817017,0.0026377842,0.0026377842,GGA,I4_1md,ABC_tI12_109_a_a_a:Ga-Nd-Si,6.0,ABC_tI12_109_a_a_a:Ga-Nd-Si +mp-1184206,GaSiO3,-6.705735318,-2.0470392808,0.6703666545,0.6703666545,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ga-O-Si,5.0,AB3C_cP5_221_a_c_b:Ga-O-Si +mp-1112323,Cs2YAgBr6,-3.999396956,-1.9585967719,0.0049135978,0.0049135978,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-Cs-Y +mp-1110800,Rb2YAgCl6,-4.412730655,-2.1775991328,0.0078298659,0.0078298659,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Rb-Y +mp-35906,Y(AgCl2)3,-4.136375716,-1.5308398077,0.007111911,0.007111911,GGA,R-3,A3B6C_hR30_148_ac_f_b:Ag-Cl-Y,10.0,"Invalid WP multiplicities - A3B6C_hR30_148_a2c_f_b:Ag-Cl-Y, expected YAg5Cl6 to be Y(AgCl2)3" +mp-28043,Tl3AgI5,-2.6478360119,-0.7270229905000001,0.0286366231,0.0286366231,GGA,P-62c,AB5C3_hP36_190_e_2fgh_gh:Ag-I-Tl,36.0,"Invalid WP multiplicities - AB5C3_hP36_190_e_2fg2h_gh:Ag-I-Tl, expected Tl6Ag2I13 to be Tl3AgI5" +mp-1111798,Rb2TlAgI6,-2.595722059,-0.9960755195,0.0727616424,0.0727616424,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Tl +mp-29012,Tl2AgI3,-2.7324588472,-0.7361352894000001,0.0264086361,0.0264086361,GGA,R-3,AB3C2_hR54_148_ac_bcf_f:Ag-I-Tl,18.0,AB3C2_hR54_148_ac_bcf_f:Ag-I-Tl +mp-27801,TlAgI2,-2.6997527037,-0.6642697412,0.0316050313,0.0316050313,GGA,I4/mcm,AB2C_tI16_140_b_h_a:Ag-I-Tl,8.0,AB2C_tI16_140_b_h_a:Ag-I-Tl +mp-1217782,SrSmScO4,-8.2751892107,-3.6284315624,0.0602634381,0.0602634381,GGA,Cmc2_1,A4BCD_oC28_36_2ab_a_a_a:O-Sc-Sm-Sr,14.0,"Invalid WP multiplicities - A4BCD_oC28_36_4ab_a_a_a:O-Sc-Sm-Sr, expected SrSmScO6 to be SrSmScO4" +mp-1110751,Rb2LiBiI6,-2.91756192,-1.2624940958,0.0513581485,0.0513581485,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-I-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-I-Li-Rb +mp-1111334,Na2CoAgF6,-4.60011828,-2.194638461,0.135832035,0.135832035,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Co-F-Na +mp-1191787,LiCa3OsO6,-7.0932608764,-2.6538770396,0.0,-0.030736258,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Li-O-Os,22.0,A3BC6D_hR66_167_e_a_f_b:Ca-Li-O-Os +mp-1217516,UNiSn,-7.2528747217,-0.2258352067,0.0,-0.0153857631,GGA,C2/m,ABC_mC12_12_i_i_i:Ni-Sn-U,6.0,ABC_oI12_71_e_f_g:Ni-Sn-U +mp-21425,UNiSn,-7.1241647333,-0.0971252183,0.1287099883,0.1133242253,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sn-U,3.0,ABC_cF12_216_c_a_b:Ni-Sn-U +mp-567435,UNiSn,-6.1690526567,0.8579868583,1.083822065,1.0684363019,GGA,F-43m,ABC_cF12_216_a_b_c:Ni-Sn-U,3.0,ABC_cF12_216_a_b_c:Ni-Sn-U +mp-672385,UNiSn,-6.4259233933,0.6011161217000001,0.8269513283000001,0.8115655653,GGA,F-43m,ABC_cF12_216_a_c_b:Ni-Sn-U,3.0,ABC_cF12_216_a_c_b:Ni-Sn-U +mp-1216878,U3Ni3(SnSb)2,-7.1114419455,-0.3622633195,0.0043584101,0.0043584101,GGA,I2_13,A3B2C2D3_cI40_199_b_a_a_b:Ni-Sb-Sn-U,20.0,A3B2C2D3_cI40_199_b_a_a_b:Ni-Sb-Sn-U +mp-672374,UNi2Sn,-6.9269783125,-0.2116645062,0.0394228513,0.0394228513,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Sn-U,4.0,A2BC_cF16_225_c_a_b:Ni-Sn-U +mp-22197,UNi4Sn,-6.62514661,-0.2215585125,0.042160001,0.042160001,GGA,F-43m,A4BC_cF24_216_e_a_c:Ni-Sn-U,6.0,A4BC_cF24_216_e_a_c:Ni-Sn-U +mp-567905,U3Ni3Sn4,-6.93192529,-0.206632541,0.0068849852,0.0068849852,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Ni-Sn-U,20.0,A3B4C3_cI40_220_a_c_b:Ni-Sn-U +mp-22813,U2Ni2Sn,-7.748463194,-0.117930147,0.1081443079,0.1081443079,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ni-Sn-U,10.0,A2BC2_tP10_127_g_a_h:Ni-Sn-U +mp-1225937,CsFeNiF6,-5.6372711244,-2.6801117837,0.0,-0.0236232489,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Fe-Ni,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Fe-Ni, expected CsFeNiF12 to be CsFeNiF6" +mp-1110861,K2NaMoCl6,-4.396901959,-1.8488826333,0.0341840435,0.0341840435,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Mo-Na +mp-649509,Yb2(SeO4)3,-5.9868316429,-1.6969954354,0.0,-0.210960341,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-Se-Yb,,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_5e_2e:O-Se-Yb, expected Yb2(SeO9)5 to be Yb2(SeO4)3" +mp-13976,Yb2SeO2,-5.792861182,-2.49916009,0.4051192255,0.4051192255,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Se-Yb,,A2BC2_hP5_164_d_a_d:O-Se-Yb +mp-1178767,Yb2Se3O20,-5.1933264472,-0.6932974385,0.4606594576,0.4606594576,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Yb,,A20B3C2_mC100_15_10f_ef_f:O-Se-Yb +mp-672688,YbSeClO3,-5.6439882129,-2.023301121,0.0,-0.0316440494,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Yb,,"Invalid WP multiplicities - AB3CD_oP24_62_c_2c3d_c_c:Cl-O-Se-Yb, expected YbSeClO8 to be YbSeClO3" +mp-14415,Pr2Be2GeO7,-7.9165383996,-3.2256645601,0.0,-0.0963624102,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Pr,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_ce2f_e:Be-Ge-O-Pr, expected Pr2Be2GeO11 to be Pr2Be2GeO7" +mp-1193529,PrBe13,-3.9669062286,-0.1531010143,0.0,-0.1531010143,GGA,Fm-3c,A13B_cF112_226_bi_a:Be-Pr,28.0,A13B_cF112_226_bi_a:Be-Pr +mp-1186742,PrBeO3,-7.528997214,-2.8569202633,0.25240653,0.25240653,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pr,5.0,AB3C_cP5_221_b_c_a:Be-O-Pr +mp-675648,Pr9Be4O20,-7.9458978418,-3.1907591303,0.1087798455,0.1087798455,GGA,P1,A4B20C9_aP33_1_4a_20a_9a:Be-O-Pr,33.0,A4B20C9_aP33_1_4a_20a_9a:Be-O-Pr +mp-31117,NdScO3,-9.0853638885,-3.8972273542,0.0,-0.0213239869,GGA,Pnma,AB3C_oP20_62_c_cd_a:Nd-O-Sc,20.0,AB3C_oP20_62_c_cd_a:Nd-O-Sc +mp-1173450,NdNb3O9,-9.3440345004,-3.2215528886,0.0366039625,0.0366039625,GGA,P-1,A3BC9_aP52_2_6i_2i_18i:Nb-Nd-O,52.0,"Invalid WP multiplicities - A3BC9_aP52_2_12i_3i_35i:Nb-Nd-O, expected Nd3Nb12O35 to be NdNb3O9" +mp-1173575,NdNb3O9,-9.3304138681,-3.2079322563,0.0502245948,0.0502245948,GGA,P-1,A3BC9_aP26_2_3i_i_be8i:Nb-Nd-O,26.0,"Invalid WP multiplicities - A3BC9_aP26_2_5i_i_be16i:Nb-Nd-O, expected NdNb5O17 to be NdNb3O9" +mp-1173534,NdNb3O9,-9.3265371056,-3.2040554938,0.0541013573,0.0541013573,GGA,C2/m,A3BC9_mC104_12_3j_abi_ef6i5j:Nb-Nd-O,52.0,"Invalid WP multiplicities - A3BC9_mC104_12_9j_abi_2e2f12i17j:Nb-Nd-O, expected NdNb9O25 to be NdNb3O9" +mp-1210059,NdNb3O9,-9.3711861727,-3.2487045609,0.0094522902,0.0094522902,GGA,P2_1/c,A3BC9_mP52_14_3e_e_9e:Nb-Nd-O,52.0,A3BC9_mP52_14_3e_e_9e:Nb-Nd-O +mp-3901,NdNbO4,-9.2944079983,-3.5183734454,0.0,-0.0883025003,GGA,C2/c,ABC4_mC24_15_e_e_2f:Nb-Nd-O,12.0,ABC4_mC24_15_e_e_2f:Nb-Nd-O +mp-1220017,NdNb4O12,-9.1884378812,-3.0394006972,0.0770074357,0.0770074357,GGA,Amm2,A4BC12_oC34_38_f_a_2cdef:Nb-Nd-O,17.0,A4BC12_oC34_38_f_a_2cdef:Nb-Nd-O +mp-557763,Nd3NbO7,-9.0110101552,-3.6444130356,0.0,-0.0060681027,GGA,Pnma,AB3C7_oP44_62_c_cd_c3d:Nb-Nd-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_4c4d_4c19d:Nb-Nd-O, expected Nd12NbO42 to be Nd3NbO7" +mp-3727,Nd3NbO7,-8.9975983186,-3.631001199,0.0134118366,0.0073437339,GGA,Cmcm,AB3C7_oC44_63_a_bg_cgh:Nb-Nd-O,22.0,"Invalid WP multiplicities - AB3C7_oC44_63_a_b2g_cgh:Nb-Nd-O, expected Nd5NbO7 to be Nd3NbO7" +mp-1220400,Nd2ScNbO7,-9.1683736186,-3.6595654378,0.0310143298,0.0310143298,GGA,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Nb-Nd-O-Sc,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Nb-Nd-O-Sc, expected Nd2ScNbO13 to be Nd2ScNbO7" +mp-1210033,NdNbO2,-8.5236731163,-2.3329656425,0.6170392065,0.6170392065,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Nb-Nd-O,16.0,ABC2_tI32_141_c_d_h:Nb-Nd-O +mp-1028228,Mg14FeB,-2.1274548337,0.2196285213,0.2764173909,0.2764173909,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Fe-Mg, expected Mg18FeB to be Mg14FeB" +mp-1027782,Mg14FeB,-2.1038846731,0.2431986819,0.2999875515,0.2999875515,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Fe-Mg, expected Mg26FeB to be Mg14FeB" +mp-1188243,Mg2FeB2Ir5,-7.3468336675,-0.4246800923,0.0,-0.0735437961,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Ir-Mg,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Ir-Mg +mp-1022181,Mg6FeB,-2.630749405,0.4631372551,0.56603441,0.56603441,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Fe-Mg, expected Mg12FeB to be Mg6FeB" +mp-1022325,Mg6FeB,-2.9823483787,0.1115382814,0.2144354363,0.2144354363,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Fe-Mg, expected Mg12FeB to be Mg6FeB" +mp-1224038,Ho2MnRuO7,-8.4145049405,-2.7574088904,0.0106821565,0.0106821565,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Ho-Mn-O-Ru,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Ho-Mn-O-Ru, expected Ho2MnRuO13 to be Ho2MnRuO7" +mp-30889,Ho2Ru2O7,-8.2636981018,-2.5963850292,0.0329982308,0.0329982308,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Ho-O-Ru +mp-1207069,Ba2PuZnO6,-7.816051009,-2.9114846003,0.0,-0.157704041,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Zn +mp-6956,La(FeP)2,-7.527398506,-0.9868675983,0.0,-0.0845714083,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-La-P,5.0,A2BC2_tI10_139_d_a_e:Fe-La-P +mp-1212040,La6Al4Fe9P,-6.62817458,-0.3160826127,0.0164146009,0.0164146009,GGA,I4/mcm,A4B9C6D_tI80_140_l_dkl_fl_a:Al-Fe-La-P,40.0,A4B9C6D_tI80_140_l_dkl_fl_a:Al-Fe-La-P +mp-582295,La(FeP3)4,-6.7229114124,-0.6184571756,0.0,-0.0296616739,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-La-P,17.0,A4BC12_cI34_204_c_a_g:Fe-La-P +mp-977361,ZnFeRh2,-6.39152333,-0.27692819,0.0,-0.062817485,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Fe-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Fe-Rh-Zn +mp-1225537,Fe(BRh2)3,-7.5175795325,-0.2481751582,0.0034719007,0.0034719007,GGA,Cm,A3BC6_mC40_8_2a2b_b_6a3b:B-Fe-Rh,20.0,"Invalid WP multiplicities - A3BC6_mC40_8_2a4b_b_6a5b:B-Fe-Rh, expected FeB5Rh8 to be Fe(BRh2)3" +mp-1225075,Fe9B4Rh3,-8.0270632538,-0.2120206548,0.0262184801,0.0262184801,GGA,Pm,A4B9C3_mP16_6_2a2b_a4c_a2b:B-Fe-Rh,16.0,"Invalid WP multiplicities - A4B9C3_mP16_6_2a2b_a8c_a2b:B-Fe-Rh, expected Fe17B4Rh3 to be Fe9B4Rh3" +mp-652101,Zn10Fe(B4Rh9)2,-5.9940498854,-0.3978300709,0.0104179077,0.0104179077,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Fe-Rh-Zn,74.0,"Invalid WP multiplicities - A8BC18D10_tP74_127_13i_a_3h23j_11g4i:B-Fe-Rh-Zn, expected Zn38Fe(B26Rh49)2 to be Zn10Fe(B4Rh9)2" +mp-550805,LuBi2ClO4,-6.7247530813,-2.4951005456,0.0,-0.0368777126,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Lu-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Lu-O +mp-1185550,CsEuO3,-7.175191304,-1.9766972428,0.1563260999,0.1563260999,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Eu-O,5.0,ABC3_cP5_221_a_b_c:Cs-Eu-O +mp-1213245,CsEu(MoO4)2,-8.3602402496,-2.3254724094,0.0320856633,0.0286730094,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-Eu-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-Eu-Mo-O +mp-1213374,CsEu(MoO4)2,-8.3923259129,-2.3575580727,0.0,-0.003412654,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Cs-Eu-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Cs-Eu-Mo-O +mp-23474,AgBi3S5,-4.4934207322,-0.6005015403,0.0,-0.0094266364,GGA,C2/m,AB3C5_mC36_12_ad_3i_5i:Ag-Bi-S,18.0,AB3C5_mC36_12_ac_3i_5i:Ag-Bi-S +mp-675977,AgBiS2,-4.1969919887,-0.460505772,0.0467534167,0.0467534167,GGA,Cc,ABC2_mC16_9_a_a_2a:Ag-Bi-S,8.0,"Invalid WP multiplicities - ABC2_mC16_9_a_a_4a:Ag-Bi-S, expected AgBiS4 to be AgBiS2" +mp-985828,AgBiS2,-4.13448733,-0.3980011132,0.1092580754,0.1092580754,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ag-Bi-S,4.0,ABC2_tP4_123_a_d_bc:Ag-Bi-S +mp-1173060,AgBiS2,-4.1963962462,-0.4599100295,0.0473491592,0.0473491592,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Ag-Bi-S,8.0,ABC2_tI16_141_a_b_e:Ag-Bi-S +mp-1172905,AgBiS2,-4.226916235,-0.4904300182,0.0168291704,0.0168291704,GGA,P-3m1,ABC2_hP12_164_ad_bd_c2d:Ag-Bi-S,12.0,ABC2_hR12_166_a_b_c:Ag-Bi-S +mp-29678,AgBiS2,-4.22482464,-0.4883384232,0.0189207654,0.0189207654,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Bi-S,4.0,ABC2_hR12_166_a_b_c:Ag-Bi-S +mp-1214935,Ag3Bi8S13,-4.4312410442,-0.5564314892000001,0.0322328864,0.0322328864,GGA,C2/m,A3B8C13_mC48_12_ai_4i_d6i:Ag-Bi-S,24.0,A3B8C13_mC48_12_ai_4i_c6i:Ag-Bi-S +mp-1229165,Ag3Bi7S12,-4.4385976227,-0.5741207899,0.0094275955,0.0094275955,GGA,C2/m,A3B7C12_mC44_12_ai_c3i_6i:Ag-Bi-S,22.0,A3B7C12_mC44_12_ai_c3i_6i:Ag-Bi-S +mp-1229127,Ag2SnBiS4,-4.2263795413,-0.4687579839,0.0511519394,0.0511519394,GGA,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Ag-Bi-S-Sn,8.0,"Invalid WP multiplicities - A2BC4D_tI16_119_ac_b_2e2f_d:Ag-Bi-S-Sn, expected Ag2SnBiS8 to be Ag2SnBiS4" +mp-558796,Ag(Bi2S3)3,-4.5368885388,-0.5929173147,0.0293796771,0.0293796771,GGA,C2/m,AB6C9_mC32_12_a_3i_c4i:Ag-Bi-S,16.0,"Invalid WP multiplicities - AB6C9_mC32_12_a_5i_d8i:Ag-Bi-S, expected AgBi10S17 to be Ag(Bi2S3)3" +mp-1217063,Ti7B8(IrRh2)2,-8.286845479,-0.8660036637,0.0622819829,0.0622819829,GGA,Pm,A8B2C4D7_mP21_6_6a2b_2a_4a_7b:B-Ir-Rh-Ti,21.0,A8B2C4D7_mP21_6_6a2b_2a_4a_7b:B-Ir-Rh-Ti +mp-972328,Ti2IrRh,-8.78397852,-0.7855469992,0.013949065,0.013949065,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Rh-Ti,4.0,ABC2_cF16_225_a_b_c:Ir-Rh-Ti +mp-1191402,GdMnGe2O7,-8.6358428532,-2.5348415604,0.0,-0.0032668685,GGA+U,Cmme,AB2CD7_oC44_67_a_m_e_gmo:Gd-Ge-Mn-O,22.0,"Invalid WP multiplicities - AB2CD7_oC44_67_a_m_e_gm2o:Gd-Ge-Mn-O, expected GdMnGe2O11 to be GdMnGe2O7" +mp-20837,Gd(MnGe)2,-8.803909978,-0.4746682712,0.0,-0.058610623,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Gd-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Gd-Ge-Mn +mp-613677,GdMnGe,-9.6824351642,-0.3953800351,0.1760311832,0.1760311832,GGA,Pnma,ABC_oP12_62_c_c_c:Gd-Ge-Mn,12.0,ABC_oP12_62_c_c_c:Gd-Ge-Mn +mp-1225903,Gd2Mn(GeO3)4,-8.6969514116,-2.6355495312,0.0,-0.0138739759,GGA+U,Cmme,A2B4CD12_oC76_67_ac_o_e_mn2o:Gd-Ge-Mn-O,38.0,"Invalid WP multiplicities - A2B4CD12_oC76_67_ac_o_e_2m3n9o:Gd-Ge-Mn-O, expected Gd2Mn(Ge2O23)2 to be Gd2Mn(GeO3)4" +mp-1193284,NdMoBrO4,-7.8775764479,-2.5984934882,0.0,-0.028955579,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Mo-Nd-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Mo-Nd-O +mp-1103118,RbCuO,-4.5308387508,-1.1886955996,0.0006273192,-0.0535958642,GGA,I-4m2,ABC_tI24_119_g_i_i:Cu-O-Rb,12.0,ABC_tI24_119_g_i_i:Cu-O-Rb +mp-7470,RbCuO,-4.5314660700000005,-1.1893229187,0.0,-0.0542231833,GGA,I4/mmm,ABC_tI24_139_h_i_j:Cu-O-Rb,12.0,ABC_tI24_139_h_i_j:Cu-O-Rb +mp-1008807,RbCuO,-3.5331047167,-0.1909615654,0.9983613533,0.94413817,GGA,F-43m,ABC_cF12_216_a_c_b:Cu-O-Rb,3.0,ABC_cF12_216_a_c_b:Cu-O-Rb +mp-28568,Rb3CuO2,-4.0606262425,-1.2382618575,0.0,-0.0768041625,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Cu-O-Rb,24.0,AB2C3_mP24_14_e_2e_3e:Cu-O-Rb +mp-8198,Rb3Cu5O4,-4.6855512087,-1.0835186744,0.0,-0.0302941012,GGA,P2_1/c,A5B4C3_mP48_14_5e_4e_3e:Cu-O-Rb,48.0,"Invalid WP multiplicities - A5B4C3_mP48_14_8e_4e_3e:Cu-O-Rb, expected Rb3(Cu2O)4 to be Rb3Cu5O4" +mp-1209792,Rb(CuO5)2,-4.76282569,-0.2516076496,0.3267020132,0.3267020132,GGA,C2/m,A2B10C_mC26_12_f_3ij_a:Cu-O-Rb,13.0,A2B10C_mC26_12_e_3ij_a:Cu-O-Rb +mp-652224,Rb2Cu2(MoO4)3,-7.1798522562,-1.8084471851,0.0560378596,0.0560378596,GGA+U,C2/c,A2B3C12D2_mC152_15_2f_3f_12f_cef:Cu-Mo-O-Rb,76.0,"Invalid WP multiplicities - A2B3C12D2_mC152_15_6f_10f_48f_2a2e4f:Cu-Mo-O-Rb, expected Rb3Cu3Mo5O24 to be Rb2Cu2(MoO4)3" +mp-975364,RbCuO3,-4.643878798,-0.6599174228,0.4267415083,0.4267415083,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Rb,5.0,AB3C_cP5_221_b_c_a:Cu-O-Rb +mp-7467,RbCuO2,-5.101603205,-1.3583236637,0.0,-0.269793265,GGA,Cmcm,AB2C_oC16_63_c_f_c:Cu-O-Rb,8.0,AB2C_oC16_63_c_f_c:Cu-O-Rb +mp-1221817,MnInGaS4,-5.26026511,-0.7620373226,0.1412913332,0.1412913332,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Ga-In-Mn-S,7.0,ABCD4_hR21_160_a_a_a_4a:Ga-In-Mn-S +mp-510347,In5S5Br,-4.1052490623,-0.8330948519,0.0,-0.004859193,GGA,Pmn2_1,AB5C5_oP22_31_a_5a_5a:Br-In-S,22.0,AB5C5_oP22_31_a_5a_5a:Br-In-S +mp-1224043,In2AgS3Br,-4.0143658714,-0.8288942437,0.008497047,0.008497047,GGA,R-3m,ABC2D3_hR42_166_c_c_ad_h:Ag-Br-In-S,14.0,ABC2D3_hR42_166_c_c_ad_h:Ag-Br-In-S +mp-567491,Rb4Ti2P6Se25,-4.59049817,-0.8177759455,0.0,-0.0195910405,GGA,Fdd2,A6B4C25D2_oF296_43_3b_2b_a12b_b:P-Rb-Se-Ti,74.0,"Invalid WP multiplicities - A6B4C25D2_oF296_43_7b_6b_2a43b_b:P-Rb-Se-Ti, expected Rb6TiP7Se44 to be Rb4Ti2P6Se25" +mp-1043955,LaFeReO6,-8.5983995517,-2.4283231331,0.1065441806,0.1065441806,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-Re,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_10a_a:Fe-La-O-Re, expected LaFeReO10 to be LaFeReO6" +mp-698096,La5FeRe3O16,-8.9396065336,-2.9543802268,0.0491773816,0.0491773816,GGA+U,P-1,AB5C16D3_aP25_2_e_b2i_8i_ai:Fe-La-O-Re,50.0,AB5C16D3_aP25_2_e_b2i_8i_ai:Fe-La-O-Re +mp-540635,BaSn(GeO3)3,-6.9467688125,-2.3526381867,0.0,-0.0097245888,GGA,P-6c2,AB3C9D_hP28_188_a_k_kl_c:Ba-Ge-O-Sn,28.0,AB3C9D_hP28_188_a_k_kl_c:Ba-Ge-O-Sn +mp-1219290,Sm9Al(SiS7)3,-6.3503994722,-1.9576273446,0.0,-0.0186993487,GGA,R3,AB21C3D9_hR204_146_2a_14b_2b_6b:Al-S-Si-Sm,68.0,"Invalid WP multiplicities - AB21C3D9_hR204_146_2a_34b_2b_16b:Al-S-Si-Sm, expected Sm24Al(SiS17)3 to be Sm9Al(SiS7)3" +mp-30101,Ba4Si3Br2,-4.1474801625,-1.1410456614,0.0,-0.0048383475,GGA,P2_1/c,A4B2C3_mP36_14_4e_2e_3e:Ba-Br-Si,36.0,A4B2C3_mP36_14_4e_2e_3e:Ba-Br-Si +mp-553884,Ba5Si(Br3O2)2,-5.7336635919,-2.9758437447,0.0,-0.0211116372,GGA,C2/c,A5B6C4D_mC64_15_e2f_ce2f_2f_e:Ba-Br-O-Si,32.0,"Invalid WP multiplicities - A5B6C4D_mC64_15_2e7f_2a2e6f_7f_e:Ba-Br-O-Si, expected Ba16Si(Br8O7)2 to be Ba5Si(Br3O2)2" +mp-1214188,Ce2Ta3(SeO4)2,-9.394367083,-3.1273774933,0.0319050507,0.0319050507,GGA,Pnnm,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:Ce-O-Se-Ta,60.0,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:Ce-O-Se-Ta +mp-992141,Cs2IBrCl6,-2.8226515350000003,-1.2318095966,0.0,-0.1248740515,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-I,10.0,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-I +mp-1111031,Rb2NbCuF6,-5.348030452,-2.584985086,0.328310502,0.328310502,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Nb-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Nb-Rb +mp-1112872,Cs2KCeCl6,-4.474557086,-2.4820058054,0.0,-0.0004202335,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-Cs-K +mp-1220091,NdSmFe17,-8.0445417237,0.033200073,0.033200073,0.033200073,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Fe-Nd-Sm,19.0,A17BC_hR57_160_2a3bc_a_a:Fe-Nd-Sm +mp-1220094,NdSmFe17N3,-8.365557845,-0.2525315308,0.0664210411,0.0664210411,GGA,R3m,A17B3CD_hR66_160_2a3bc_b_a_a:Fe-N-Nd-Sm,22.0,A17B3CD_hR66_160_2a3bc_b_a_a:Fe-N-Nd-Sm +mp-1112339,Cs2TlRuF6,-4.899233834,-2.4095614104,0.0,-0.0186440863,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ru-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ru-Tl +mp-1110902,K2LiBiBr6,-3.391670201,-1.6628322139,0.039992302,0.039992302,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Li +mp-1211518,La2BeGa2O7,-7.6181759208,-3.0936392459,0.0329784197,0.0329784197,GGA,P-42_1m,AB2C2D7_tP24_113_a_e_e_cef:Be-Ga-La-O,24.0,AB2C2D7_tP24_113_a_e_e_cef:Be-Ga-La-O +mp-984722,BeGaO3,-5.614557182,-1.2930421778,1.0846296828,1.0846296828,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Ga-O,5.0,ABC3_cP5_221_b_a_c:Be-Ga-O +mp-676950,Be(GaO2)2,-6.6203052368,-2.3942538432,0.1157082577,0.1137153175,GGA,P2_1,AB2C4_mP28_4_2a_4a_8a:Be-Ga-O,28.0,AB2C4_mP28_4_4a_8a_16a:Be-Ga-O +mp-1227455,Be(GaO2)2,-6.7038891121,-2.4778377186,0.0321243824,0.0301314421,GGA,P2_1/m,AB2C4_mP14_11_e_2e_4e:Be-Ga-O,14.0,"Invalid WP multiplicities - AB2C4_mP14_11_e_4e_7e:Be-Ga-O, expected BeGa4O7 to be Be(GaO2)2" +mp-757917,Be(GaO2)2,-6.7360134945,-2.509962101,0.0,-0.0019929402,GGA,P3_2,AB2C4_hP42_145_2a_4a_8a:Be-Ga-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_145_2a_11a_20a:Be-Ga-O, expected Be2Ga11O20 to be Be(GaO2)2" +mp-21235,Mn2VGa,-7.8394104225,-0.2304022533,0.0,-0.0182183125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-V,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-V +mp-1222000,MnVGa5,-4.9454842229,-0.1759982979,0.0285068891,0.0285068891,GGA,Cmmm,A5BC_oC28_65_ab2p_h_j:Ga-Mn-V,14.0,"Invalid WP multiplicities - A5BC_oC28_65_ab3p_h_j:Ga-Mn-V, expected MnVGa7 to be MnVGa5" +mp-1188235,MnV2Ga2Co3,-7.1394443837,-0.300572776,0.0103878659,0.0103878659,GGA,Pn-3m,A3B2CD2_cP16_224_d_b_a_c:Co-Ga-Mn-V,16.0,A3B2CD2_cP16_224_d_b_a_c:Co-Ga-Mn-V +mp-1190398,MnVGaCo,-7.4026607219,-0.307076927,0.0,-0.0240345244,GGA,P-43m,ABCD_cP16_215_ad_e_bc_e:Co-Ga-Mn-V,16.0,ABCD_cP16_215_ad_e_bc_e:Co-Ga-Mn-V +mp-22790,VGaCo2,-6.8970037775,-0.3148443569,0.0,-0.0816671604,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ga-V,4.0,A2BC_cF16_225_c_a_b:Co-Ga-V +mp-1221873,Mn3V2Ga2Co,-7.6106682587,-0.2583722767,0.0103673134,0.0103673134,GGA,R3m,AB2C3D2_hR24_160_a_2a_3a_2a:Co-Ga-Mn-V,8.0,AB2C3D2_hR24_160_a_2a_3a_2a:Co-Ga-Mn-V +mp-1214568,Ba4(Sn3Bi)3,-3.9328256384,-0.4776060231,0.0,-0.0060150323,GGA,P6_3/mmc,A4B3C9_hP32_194_abf_g_hk:Ba-Bi-Sn,32.0,A4B3C9_hP32_194_abf_g_hk:Ba-Bi-Sn +mp-1214565,Ba5(Sn3Bi2)3,-3.9248402465,-0.4886424377,0.0008439112,0.0008439112,GGA,P6_3/mmc,A5B6C9_hP40_194_cef_k_hk:Ba-Bi-Sn,40.0,A5B6C9_hP40_194_cef_k_hk:Ba-Bi-Sn +mp-1214527,Ba3Sn4Bi,-3.8558537119,-0.6513910406,0.0096614101,0.0096614101,GGA,I4/mcm,A3BC4_tI32_140_ah_c_l:Ba-Bi-Sn,16.0,A3BC4_tI32_140_ah_c_l:Ba-Bi-Sn +mp-1227803,BaSn2Bi,-3.9154742281,-0.4708222831,0.013383921,0.013383921,GGA,Cm,ABC2_mC32_8_4a_2ab_2a3b:Ba-Bi-Sn,16.0,ABC2_mC32_8_4a_2ab_2a3b:Ba-Bi-Sn +mp-1224198,K4Ba2SnBi4,-3.0787609455,-0.5650269415,0.0,-0.0043545937,GGA,Cm,A2B4C4D_mC44_8_2ab_4a2b_2a3b_2a:Ba-Bi-K-Sn,22.0,A2B4C4D_mC44_8_2ab_4a2b_2a3b_2a:Ba-Bi-K-Sn +mp-1110618,Na2TlGaF6,-4.580230764,-2.6297644079,0.1949942903,0.1949942903,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-Na-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-Na-Tl +mp-989561,NaTl2GaF6,-4.709742017,-2.6552638756,0.0,-0.0490135984,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Na-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Na-Tl +mp-1207351,Y2CuAs3,-2.7523523217,2.4158983636,3.4797973058,3.4797973058,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Cu-Y,6.0,A3BC2_tP6_123_ag_b_g:As-Cu-Y +mp-1215694,YZnCuAs2,-4.900026158,-0.6712945173,0.0171364951,0.0171364951,GGA,P3m1,A2BCD_hP5_156_ab_a_c_b:As-Cu-Y-Zn,5.0,A2BCD_hP5_156_ab_a_c_b:As-Cu-Y-Zn +mp-10991,YCuAs2,-5.7926312163,-0.8216525679000001,0.0,-0.0474567225,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-Y,8.0,A2BC_tP8_129_ac_b_c:As-Cu-Y +mp-738646,Ag4Te(ClO3)2,-3.9778243733,-0.296998566,0.4989360623,0.4989360623,GGA,P2_13,A4B2C6D_cP52_198_ab_2a_2b_a:Ag-Cl-O-Te,52.0,A4B2C6D_cP52_198_ab_2a_2b_a:Ag-Cl-O-Te +mp-1105973,ScAgSe2,-5.3482366006,-1.3090245847,0.0185834872,0.0185834872,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:Ag-Sc-Se,16.0,ABC2_oP16_19_a_a_2a:Ag-Sc-Se +mp-12908,ScAgSe2,-5.36441575,-1.3252037341,0.0024043378,0.0024043378,GGA,P-3m1,ABC2_hP4_164_a_b_d:Ag-Sc-Se,4.0,ABC2_hP4_164_a_b_d:Ag-Sc-Se +mp-13383,ScAg(PSe3)2,-4.9037037205,-0.8069938217,0.0,-0.0548834355,GGA,P-31c,AB2CD6_hP20_163_c_f_a_i:Ag-P-Sc-Se,20.0,AB2CD6_hP20_163_c_f_a_i:Ag-P-Sc-Se +mp-1080452,KCd4As3,-2.595021425,-0.2476072748,0.0,-0.0323649038,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:As-Cd-K,8.0,A3B4C_hR24_166_ac_2c_b:As-Cd-K +mp-1105494,KCdGeAs2,-3.497636436,-0.3027257616,0.0,-0.022218708,GGA,P-1,A2BCD_aP20_2_4i_2i_2i_2i:As-Cd-Ge-K,20.0,A2BCD_aP20_2_4i_2i_2i_2i:As-Cd-Ge-K +mp-1018736,KCdAs,-2.6505923167,-0.419789946,0.0,-0.0901273547,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Cd-K,6.0,ABC_tP6_129_c_a_c:As-Cd-K +mp-29585,K4CdAs2,-2.5209718614,-0.423440096,0.0,-0.0596430386,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Cd-K,7.0,A2BC4_hR21_166_c_a_2c:As-Cd-K +mp-1206493,K2CdAs2,-2.126654036,0.3657308568,0.7990182920000001,0.7990182920000001,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Cd-K,5.0,A2BC2_tP5_123_g_a_g:As-Cd-K +mp-557574,Cu2HgGeS4,-4.2398625444,-0.5309974159,0.0036740081,-0.0076093481,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Cu-Ge-Hg-S,16.0,"Invalid WP multiplicities - A2BCD4_oP16_31_b_a_a_2a2b:Cu-Ge-Hg-S, expected Cu2HgGeS6 to be Cu2HgGeS4" +mp-10952,Cu2HgGeS4,-4.2435365525,-0.5346714241,0.0,-0.0112833562,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Hg-S,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-Hg-S +mp-753633,CrIrO4,-8.0996999033,-1.7199938208,0.0,-0.0648487733,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Cr-Ir-O,6.0,"Invalid WP multiplicities - ABC4_oC12_65_a_c_2g2j:Cr-Ir-O, expected CrIrO8 to be CrIrO4" +mp-1047059,CrIrO6,-7.143913155,-1.1224614153,0.1675339503,0.1675339503,GGA+U,P2_1/c,ABC6_mP16_14_a_d_3e:Cr-Ir-O,16.0,"Invalid WP multiplicities - ABC6_mP16_14_a_b_10e:Cr-Ir-O, expected CrIrO20 to be CrIrO6" +mp-1367307,Ca2CrIrO6,-7.620785384499999,-2.4025040167,0.0,-0.0137385398,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Cr-Ir-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_10e:Ca-Cr-Ir-O, expected Ca2CrIrO20 to be Ca2CrIrO6" +mp-1183870,Cr2Ir2O5,-7.6239497189,-0.7665711793000001,0.9692042472,0.9692042472,GGA+U,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Cr-Ir-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Cr-Ir-O, expected Cr2Ir2O9 to be Cr2Ir2O5" +mp-1213135,Er2Sn3(PbS4)3,-5.2266365613,-1.1296619214,0.0180976837,0.0180976837,GGA,Pmc2_1,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Er-Pb-S-Sn,40.0,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Er-Pb-S-Sn +mp-2225274,MgCo2(SbS)2,-5.0675929914,-0.4464761552,0.3799053155,0.3799053155,GGA,Pm,A2BC2D2_mP7_6_ab_a_ab_ab:Co-Mg-S-Sb,7.0,A2BC2D2_mP7_6_ab_a_ab_ab:Co-Mg-S-Sb +mp-2225588,MgCo2(SbS)2,-5.1398485929,-0.5187317566,0.3076497141,0.3076497141,GGA,Pm,A2BC2D2_mP7_6_ab_a_ab_ab:Co-Mg-S-Sb,7.0,A2BC2D2_mP7_6_ab_a_ab_ab:Co-Mg-S-Sb +mp-1028372,Mg14CoSb,-2.0836274313,0.0189500522,0.1089267586,0.1089267586,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Sb, expected Mg18CoSb to be Mg14CoSb" +mp-1028377,Mg14CoSb,-2.0804984012,0.0220790822,0.1120557886,0.1120557886,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Sb, expected Mg26CoSb to be Mg14CoSb" +mp-2218868,MgCo4(SbS)4,-5.1795842846,-0.3260953879,0.3992678559,0.3992678559,GGA,R3,A4BC4D4_hR39_146_ab_a_ab_ab:Co-Mg-S-Sb,13.0,"Invalid WP multiplicities - A4BC4D4_hR39_146_a2b_a_a2b_a2b:Co-Mg-S-Sb, expected MgCo7(SbS)7 to be MgCo4(SbS)4" +mp-2226878,MgCo4(SbS)4,-5.2086007431,-0.3551118463,0.3702513975,0.3702513975,GGA,R3,A4BC4D4_hR39_146_ab_a_ab_ab:Co-Mg-S-Sb,13.0,"Invalid WP multiplicities - A4BC4D4_hR39_146_a2b_a_a2b_a2b:Co-Mg-S-Sb, expected MgCo7(SbS)7 to be MgCo4(SbS)4" +mp-1022033,Mg6CoSb,-2.5629913788,0.0418835381,0.1989791372,0.1989791372,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Sb, expected Mg12CoSb to be Mg6CoSb" +mp-1022062,Mg6CoSb,-2.5770575706,0.0278173462,0.1849129453,0.1849129453,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Sb, expected Mg12CoSb to be Mg6CoSb" +mp-1194343,TmMoBrO4,-7.8466420343,-2.6093179331,0.0,-0.0160306349,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Tm,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Tm +mp-1190273,PrCrTeO6,-7.760363045,-2.5095417799,0.0,-0.0324442347,GGA+U,P-31c,AB6CD_hP18_163_c_i_b_d:Cr-O-Pr-Te,18.0,AB6CD_hP18_163_c_i_b_d:Cr-O-Pr-Te +mp-1209564,PrCrTeO6,-7.4227967806,-2.1719755155,0.3375662644,0.3051220297,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Pr-Te,18.0,AB6CD_hP18_163_b_i_c_d:Cr-O-Pr-Te +mp-1211150,PrCr2O2,-7.9480351175,-1.151959494,1.1351047609,1.1351047609,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Pr,20.0,A2B2C_tI40_141_h_h_c:Cr-O-Pr +mp-1105822,PrCrO3,-8.9801366095,-3.1253327378,0.0,-0.0737271516,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Pr +mp-19353,PrCrO3,-8.86211335,-3.0073094782,0.1180232595,0.0442961079,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Pr,5.0,AB3C_cP5_221_b_c_a:Cr-O-Pr +mp-1342382,PrCr2O6,-8.2499527183,-2.2758268336,0.2266469483,0.2266469483,GGA+U,Pc,A2B6C_mP18_7_2a_6a_a:Cr-O-Pr,18.0,"Invalid WP multiplicities - A2B6C_mP18_7_4a_12a_a:Cr-O-Pr, expected PrCr4O12 to be PrCr2O6" +mp-18863,PrCrO4,-8.4328874892,-2.7294361442,0.0,-0.124992196,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Pr,12.0,AB4C_tI24_141_a_h_b:Cr-O-Pr +mp-1093768,MnV2Fe,-5.09351828,3.8564438805,4.0733458109,4.0733458109,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mn-V,4.0,ABC2_oI8_71_a_b_e:Fe-Mn-V +mp-1186011,MnV2Fe,-9.141540235,-0.1915780745,0.0253238559,0.0253238559,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Mn-V,4.0,ABC2_cF16_225_a_b_c:Fe-Mn-V +mp-1221563,MnV(Fe2Si)2,-8.2895431088,-0.417462826,0.0,-0.0258138725,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Fe-Mn-Si-V,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_3c_a_c_b:Fe-Mn-Si-V, expected MnV(Fe3Si)2 to be MnV(Fe2Si)2" +mp-1105304,Ca2FeOsO6,-7.669243925,-2.3303718583,0.0061021154,0.0061021154,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Fe-O-Os,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Fe-O-Os +mp-1332615,Ca3Ge3(MoO6)2,-7.6223002891,-2.5754278911,0.0,-0.0567297728,GGA+U,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Mo-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Mo-O +mp-1222032,Mn2InSbO6,-7.5131532055,-2.0246684233,0.0,-0.0359966156,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:In-Mn-O-Sb,20.0,AB2C6D_aP20_1_2a_4a_12a_2a:In-Mn-O-Sb +mp-1221839,Mn3In2Sb3O14,-7.1729107714,-1.9624535435,0.0328783492,0.0328783492,GGA+U,C2/m,A2B3C14D3_mC44_12_e_acd_3i2j_bf:In-Mn-O-Sb,44.0,A2B3C14D3_mC44_12_e_abc_3i2j_df:In-Mn-O-Sb +mp-1641174,Mn3In2Sb3O14,-7.1647842661,-1.9543270382,0.0410048544,0.0410048544,GGA+U,C2/m,A2B3C14D3_mC88_12_j_abcdi_6i4j_efi:In-Mn-O-Sb,44.0,"Invalid WP multiplicities - A2B3C14D3_mC88_12_j_abcdi_9i14j_2e2fi:In-Mn-O-Sb, expected Mn3In2Sb5O37 to be Mn3In2Sb3O14" +mp-758347,Mn11In25O48,-6.8362274775,-1.990807006,0.000853362,0.000853362,GGA+U,Cm,A25B11C48_mC168_8_5a10b_3a4b_8a20b:In-Mn-O,84.0,"Invalid WP multiplicities - A25B11C48_mC168_8_5a19b_3a8b_8a35b:In-Mn-O, expected Mn19In43O78 to be Mn11In25O48" +mp-774229,Mn2InO5,-7.6435789669,-1.9174342331,0.0201445495,0.0201445495,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:In-Mn-O,32.0,"Invalid WP multiplicities - AB2C5_oP32_55_g_2e2h_2f4g2h4i:In-Mn-O, expected Mn4InO16 to be Mn2InO5" +mp-754186,Mn2InO5,-7.5875605738,-1.86141584,0.0761629426,0.0761629426,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:In-Mn-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_63_c_f_c6f:In-Mn-O, expected Mn2InO13 to be Mn2InO5" +mp-1221486,Mn5In3O12,-7.603318454,-1.9320488447,0.0763132061,0.0763132061,GGA+U,P1,A3B5C12_aP20_1_3a_5a_12a:In-Mn-O,20.0,A3B5C12_aP20_1_3a_5a_12a:In-Mn-O +mp-505751,Mn2In2O7,-7.2165512223,-1.9025313111,0.0,-0.0089674327,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:In-Mn-O,22.0,A2B2C7_cF88_227_c_d_af:In-Mn-O +mp-35162,MnIn2O4,-6.9214823293,-1.9997483868,0.0,-0.0065282104,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:In-Mn-O,14.0,A2BC4_cF56_227_c_b_e:In-Mn-O +mp-550807,MnInO3,-7.334922193,-1.9841691618,0.0220858327,0.0220858327,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:In-Mn-O,10.0,ABC3_hP10_194_a_c_bf:In-Mn-O +mp-1193780,MnInO3,-7.3403687177,-1.9896156865,0.016639308,0.016639308,GGA+U,P-3c1,ABC3_hP30_165_bd_f_adg:In-Mn-O,30.0,ABC3_hP30_165_bd_f_adg:In-Mn-O +mp-882825,MnInO3,-7.3424513503,-1.9916983192,0.0145566754,0.0145566754,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:In-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:In-Mn-O +mp-1191177,Tb2Co7B3,-6.982029055,-0.3932680485,0.0010380782,0.0010380782,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Tb,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Tb +mp-1205642,Tb2CoSi2,-6.167084681,-0.72154747,0.025086859,0.025086859,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Si-Tb,10.0,AB2C2_mC20_12_i_2i_2i:Co-Si-Tb +mp-1196092,Tb2Co14B,-6.9597522478,-0.167718536,0.0,-0.0047163084,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Tb,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Tb +mp-1102265,TbCo4B,-6.9197808217,-0.2952759799,0.0092872531,0.0092872531,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Tb,12.0,AB4C_hP12_191_c_di_ab:B-Co-Tb +mp-1211029,Tb4Co10Si,-5.8798529847,0.456544374,0.729810991,0.729810991,GGA,I4_1/amd,A10BC4_tI60_141_ci_a_h:Co-Si-Tb,,A10BC4_tI60_141_ci_a_h:Co-Si-Tb +mp-3292,Tb(CoSi)2,-6.738250724,-0.797923174,0.0,-0.1347655265,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Tb,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Tb +mp-4969,TbCoSi2,-6.4020840763,-0.7537540875000001,0.0,-0.0086050892,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-Tb,8.0,AB2C_oC16_63_c_2c_c:Co-Si-Tb +mp-1191366,TbCo9Si2,-6.9259110133,-0.3042558204,0.0282121688,0.0282121688,GGA,I4_1/amd,A9B2C_tI48_141_ai_c_b:Co-Si-Tb,24.0,A9B2C_tI48_141_ai_c_b:Co-Si-Tb +mp-16088,Tb3Co29(Si2B5)2,-7.1221086878,-0.4147281621,0.0,-0.0206494634,GGA,P4/nmm,A10B29C4D3_tP92_129_2cij_c3i2jk_i_ae:B-Co-Si-Tb,92.0,"Invalid WP multiplicities - A10B29C4D3_tP92_129_2ci2j_c9i2j5k_i_ae:B-Co-Si-Tb, expected Tb3Co85(Si2B7)2 to be Tb3Co29(Si2B5)2" +mp-3893,Tb(CoB)2,-6.9993464,-0.5573893537,0.0,-0.064741136,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Tb,5.0,A2B2C_tI10_139_e_d_a:B-Co-Tb +mp-10318,Tb2Co3Si5,-6.508389107,-0.7363615335,0.0,-0.0172793398,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Si-Tb,20.0,"Invalid WP multiplicities - A3B5C2_mC40_15_2e2f_3ef_f:Co-Si-Tb, expected Tb2Co6Si5 to be Tb2Co3Si5" +mp-1106079,Tb2Co3Si5,-6.5058840885,-0.733856515,0.0025050185,-0.0147743213,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Si-Tb,20.0,A3B5C2_oI40_72_aj_bfj_j:Co-Si-Tb +mp-3040,TbCo3B2,-7.0370661917,-0.4840490206,0.0,-0.0162347227,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Tb,6.0,A2B3C_hP6_191_c_g_a:B-Co-Tb +mp-1069044,TbCoSi3,-6.232843386,-0.6291157890000001,0.0,-0.026112519,GGA,I4mm,AB3C_tI10_107_a_ab_a:Co-Si-Tb,5.0,AB3C_tI10_107_a_ab_a:Co-Si-Tb +mp-1188842,Tb(Co2B)6,-7.1923601721,-0.3497006845,0.0,-0.0275472445,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Tb,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Tb +mp-1208480,Tb3Co2Si3,-6.2500671512,-0.7006061537,0.0354151769,0.0354151769,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Si-Tb,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Si-Tb +mp-1188805,Tb3Co11B4,-6.9611501583,-0.3604745401,0.0039172887,0.0039172887,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Tb,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Tb +mp-1208405,Tb5(SiB4)2,-6.4845284627,-0.6540217476,0.0,-0.0303695635,GGA,P4/mbm,A8B2C5_tP30_127_egi_h_bk:B-Si-Tb,30.0,A8B2C5_tP30_127_egi_h_bk:B-Si-Tb +mp-1189409,Tb5Si3B,-5.6166107167,-0.4913688988,0.1640075369,0.1640075369,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Si-Tb,18.0,AB3C5_hP18_193_b_g_dg:B-Si-Tb +mp-4735,TbCo9Si4,-6.9204244936,-0.4696746096,0.0011133779,0.0011133779,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Co-Si-Tb,28.0,"Invalid WP multiplicities - A9B4C_tI56_140_d3kl_l_a:Co-Si-Tb, expected TbCo17Si4 to be TbCo9Si4" +mp-1208336,TbCoB4,-6.9884451858,-0.5784033561,0.0,-0.0175412488,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Tb,24.0,A4BC_oP24_55_4h_g_g:B-Co-Tb +mp-1106036,Tb(CoB)4,-7.1394236922,-0.4966232074,0.0,-0.0082612756,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Tb,18.0,A4B4C_tP18_137_g_g_a:B-Co-Tb +mp-22573,Tb4CoB13,-6.7036443322,-0.4548734869,0.1266363183,0.1266363183,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Tb,36.0,"Invalid WP multiplicities - A13BC4_tP36_128_ag2i_b_h:B-Co-Tb, expected Tb4CoB21 to be Tb4CoB13" +mp-22206,TbCoSi,-6.4086151042,-0.6859477958,0.0323852042,-0.009520892,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Tb,12.0,ABC_oP12_62_c_c_c:Co-Si-Tb +mp-21203,TbCoSi,-6.4410003083,-0.718333,0.0,-0.0419060962,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Si-Tb,6.0,ABC_tP6_129_a_c_c:Co-Si-Tb +mp-1028091,HfMg14Mn,-2.5091382812000003,0.0860570326,0.1278922391,0.1278922391,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Mn, expected HfMg18Mn to be HfMg14Mn" +mp-1028077,HfMg14Mn,-2.49063587,0.1045594439,0.1463946504,0.1463946504,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Mn, expected HfMg26Mn to be HfMg14Mn" +mp-754657,HfMnO3,-9.964329765,-3.1724756738,0.0318619255,0.0318619255,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Hf-Mn-O,20.0,ABC3_oP20_62_a_c_cd:Hf-Mn-O +mp-1032770,HfMg6MnO8,-6.9998221794,-2.7314225349,0.3129812965,0.3129812965,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Hf-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Hf-Mg-Mn-O, expected HfMg6MnO12 to be HfMg6MnO8" +mp-1032815,HfMg6MnO8,-6.9629076462,-2.6945080017,0.3498958297,0.3498958297,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Hf-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Hf-Mg-Mn-O, expected HfMg6MnO12 to be HfMg6MnO8" +mp-1036120,HfMg14MnO16,-6.6378626541,-2.8669206415,0.1823014239,0.1823014239,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Hf-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Hf-Mg-Mn-O, expected HfMg18MnO20 to be HfMg14MnO16" +mp-1036036,HfMg14MnO16,-6.6360690369,-2.8651270243,0.1840950411,0.1840950411,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Hf-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Hf-Mg-Mn-O, expected HfMg30MnO32 to be HfMg14MnO16" +mp-1022820,HfMg6Mn,-3.4022003013,0.1879102765,0.2519755561,0.2519755561,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Mn, expected HfMg12Mn to be HfMg6Mn" +mp-1022834,HfMg6Mn,-3.4356140206,0.1544965571,0.2185618367,0.2185618367,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Mn, expected HfMg12Mn to be HfMg6Mn" +mp-1037789,HfMg30MnO32,-6.4778239437,-2.9556107472,0.0960204352,0.0960204352,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Hf-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Hf-Mg-Mn-O, expected HfMg90MnO80 to be HfMg30MnO32" +mp-1037845,HfMg30MnO32,-6.4773112,-2.9550980034,0.096533179,0.096533179,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Hf-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Hf-Mg-Mn-O, expected HfMg110MnO72 to be HfMg30MnO32" +mp-1047788,Zn3Cr3(AsO4)4,-6.8142392981,-1.7941675196,0.1376448165,0.1376448165,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Cr-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Cr-O-Zn, expected Zn3Cr3(As5O29)2 to be Zn3Cr3(AsO4)4" +mp-1042787,ZnCrAs2O7,-6.7631466984,-1.7760695285,0.0955640856,0.0955640856,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Cr-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Cr-O-Zn +mp-1346852,ZnCrAsO5,-6.9358459125,-1.8976767823,0.0606310571,0.0606310571,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Cr-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Cr-O-Zn +mp-29257,LaTlO3,-6.761665069,-2.3339217919,0.1558975801,0.1558975801,GGA,P6_3mc,AB3C_hP10_186_a_a2b_b:La-O-Tl,10.0,AB3C_hP10_186_a_a2b_b:La-O-Tl +mp-1222718,LaTi2TlO6,-8.419172771,-3.1421961157,0.1426639871,0.1426639871,GGA,Fm-3m,AB6C2D_cF40_225_a_d_c_b:La-O-Ti-Tl,10.0,AB6C2D_cF40_225_a_d_c_b:La-O-Ti-Tl +mp-1212518,GdTiClO3,-9.9558504658,-3.5124809574,0.0,-0.0218709367,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Gd-O-Ti,12.0,ABC3D_mC24_12_i_i_3i_i:Cl-Gd-O-Ti +mp-685713,Gd7Ti8O26,-10.7348888961,-3.6541401569,0.0595703876,0.0595703876,GGA,P1,A7B26C8_aP41_1_7a_26a_8a:Gd-O-Ti,41.0,A7B26C8_aP41_1_7a_26a_8a:Gd-O-Ti +mp-686465,Gd2Ti2O7,-10.8412486176,-3.6985168456,0.0415587128,0.0415587128,GGA,C2/m,A2B7C2_mC176_12_ad3i2j_12i8j_bcef3ij:Gd-O-Ti,88.0,A2B7C2_mC176_8_8a8b_24a30b_8a8b:Gd-O-Ti +mp-5302,Gd2Ti2O7,-10.8741133309,-3.7313815589,0.0086939995,0.0086939995,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Gd-O-Ti,22.0,A2B7C2_cF88_227_c_af_d:Gd-O-Ti +mp-510278,GdTiO3,-10.980702133,-3.6183660549,0.0266896695,0.0266896695,GGA,Pnma,AB3C_oP20_62_c_cd_a:Gd-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Gd-O-Ti +mp-770065,Gd2TiO5,-11.3761551519,-3.7785076453,0.0506639037,0.0043719166,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Gd-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_19e_e:Gd-O-Ti, expected Gd3TiO19 to be Gd2TiO5" +mp-557626,Gd2TiO5,-11.4268190556,-3.829171549,0.0,-0.0462919872,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Gd-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_3c_17c_c:Gd-O-Ti, expected Gd3TiO17 to be Gd2TiO5" +mp-770189,Gd2TiO5,-11.3679787903,-3.7703312837,0.0588402653,0.0125482781,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:Gd-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_17c_c:Gd-O-Ti, expected Gd5TiO17 to be Gd2TiO5" +mp-1217390,Th2Fe17C,-8.4389708785,-0.0366337504,0.007152495,0.007152495,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Th,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_cf2g3i4j_i:C-Fe-Th, expected Th2Fe29C to be Th2Fe17C" +mp-1217798,Th3Fe33C4,-8.5012547137,-0.0345812975,0.0121185799,0.0121185799,GGA,P-1,A4B33C3_aP80_2_af3i_bcdg31i_3i:C-Fe-Th,80.0,"Invalid WP multiplicities - A4B33C3_aP80_2_af3i_bcdg58i_6i:C-Fe-Th, expected Th3(Fe15C)2 to be Th3Fe33C4" +mp-1217321,Th2FeSi3,-7.2334824383,-0.6378671383,0.008173635,0.008173635,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Fe-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Fe-Si-Th +mp-1025382,Th2Fe2Si2C,-8.0155896071,-0.6088666825,0.0,-0.0443351543,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Th,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Th +mp-569748,ThFe2SiC,-8.285668803,-0.4840919645,0.0,-0.0578852867,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Th,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Th +mp-7600,Th(FeSi)2,-7.72109158,-0.680184234,0.0,-0.175836483,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Th +mp-759489,BaTi8O16,-9.255161928,-3.4859647099,0.0,-0.0012942603,GGA,C2,AB16C8_mC100_5_ab_16c_8c:Ba-O-Ti,50.0,"Invalid WP multiplicities - AB16C8_mC100_5_ab_32c_15c:Ba-O-Ti, expected BaTi15O32 to be BaTi8O16" +mp-1076521,Ba2Ti2O5,-8.1356789544,-3.2065259023,0.084131045,0.084131045,GGA,Imma,A2B5C2_oI36_74_h_cgh_ae:Ba-O-Ti,18.0,A2B5C2_oI36_74_h_cgh_ae:Ba-O-Ti +mp-1048199,BaTi4O7,-8.6785622271,-3.0012485616,0.3360802487,0.3360802487,GGA,P6_3mc,AB7C4_hP24_186_b_a2c_ac:Ba-O-Ti,24.0,AB7C4_hP24_186_b_a2c_ac:Ba-O-Ti +mp-1047421,BaTi4O8,-8.865401307700001,-3.2442895618,0.2128756326,0.2128756326,GGA,P-31m,AB8C4_hP13_162_a_ck_h:Ba-O-Ti,13.0,AB8C4_hP13_162_a_ck_h:Ba-O-Ti +mp-766314,BaTi10O20,-9.2783262939,-3.4780788961,0.0110835313,0.0110835313,GGA,P-1,AB20C10_aP62_2_i_20i_10i:Ba-O-Ti,62.0,"Invalid WP multiplicities - AB20C10_aP62_2_i_36i_18i:Ba-O-Ti, expected BaTi18O36 to be BaTi10O20" +mp-530879,Ba4Ti4O9,-7.983409429,-3.0552878862,0.1038541516,0.1038541516,GGA,C2/m,A4B9C4_mC102_12_3j_abc6i3j_6i:Ba-O-Ti,51.0,"Invalid WP multiplicities - A4B9C4_mC102_12_9j_abc12i9j_11i:Ba-O-Ti, expected Ba36Ti22O63 to be Ba4Ti4O9" +mp-757751,BaTi14O28,-9.2979222923,-3.4615700345,0.0313106691,0.0313106691,GGA,P-1,AB28C14_aP86_2_i_28i_14i:Ba-O-Ti,86.0,"Invalid WP multiplicities - AB28C14_aP86_2_i_55i_26i:Ba-O-Ti, expected BaTi26O55 to be BaTi14O28" +mp-773131,BaTi14O28,-9.2981496751,-3.4617974172,0.0310832863,0.0310832863,GGA,P-1,AB28C14_aP86_2_i_28i_14i:Ba-O-Ti,86.0,"Invalid WP multiplicities - AB28C14_aP86_2_i_55i_28i:Ba-O-Ti, expected BaTi28O55 to be BaTi14O28" +mp-531527,Ba3Ti20O40,-9.2199168622,-3.4812769638,0.0,-0.0012987905,GGA,C2/m,A3B40C20_mC126_12_ag_4i8j_2i4j:Ba-O-Ti,63.0,"Invalid WP multiplicities - A3B40C20_mC126_12_ag_7i16j_4i7j:Ba-O-Ti, expected BaTi12O26 to be Ba3Ti20O40" +mp-757266,BaTi7O14,-9.2287977289,-3.4814767737,0.0011319361,0.0011319361,GGA,P-1,AB14C7_aP88_2_2i_28i_14i:Ba-O-Ti,88.0,AB14C7_aP88_2_4i_56i_28i:Ba-O-Ti +mp-770118,Ba3Ti2O7,-8.0880179583,-3.4067904723,0.0318536521,0.0318536521,GGA,Fmm2,A3B7C2_oF48_42_ac_ace_c:Ba-O-Ti,12.0,"Invalid WP multiplicities - A3B7C2_oF48_42_a2c_a2ce_c:Ba-O-Ti, expected Ba5Ti2O9 to be Ba3Ti2O7" +mp-15761,Ba4Ti12O27,-8.9947915165,-3.5068287453,0.0028495775,0.0028495775,GGA,C2/m,A4B27C12_mC172_12_2ij_5i11j_adeg3i3j:Ba-O-Ti,86.0,"Invalid WP multiplicities - A4B27C12_mC172_12_2ij_5i12j_aceh3i3j:Ba-O-Ti, expected Ba4Ti12O29 to be Ba4Ti12O27" +mp-6289,Ba2Ti(GeO4)2,-7.5532193196,-2.8952956814,0.0,-0.0025763596,GGA,P4bm,A2B2C8D_tP26_100_c_c_abcd_a:Ba-Ge-O-Ti,26.0,"Invalid WP multiplicities - A2B2C8D_tP26_100_c_c_a2b2c2d_a:Ba-Ge-O-Ti, expected Ba2TiGe2O15 to be Ba2Ti(GeO4)2" +mp-768357,Ba2Ti11O24,-9.1460893486,-3.4863895883,0.0320185291,0.0320185291,GGA,P1,A2B24C11_aP37_1_2a_24a_11a:Ba-O-Ti,37.0,A2B24C11_aP37_1_2a_24a_11a:Ba-O-Ti +mp-504457,BaTi6O13,-9.1865359095,-3.5065918952,0.0106220821,0.0106220821,GGA,P-1,AB13C6_aP40_2_i_13i_6i:Ba-O-Ti,40.0,"Invalid WP multiplicities - AB13C6_aP40_2_i_26i_12i:Ba-O-Ti, expected BaTi12O26 to be BaTi6O13" +mp-28917,Ba2Ti13O22,-9.1860130134,-3.3669184798,0.0,-0.0213394064,GGA,Cmce,A2B22C13_oC148_64_f_e2f4g_adf2g:Ba-O-Ti,74.0,"Invalid WP multiplicities - A2B22C13_oC148_64_f_2e2f4g_adf2g:Ba-O-Ti, expected Ba2Ti13O24 to be Ba2Ti13O22" +mp-1228517,Ba2Ti4O13,-7.9325744889,-2.6837917946000003,0.2912866407,0.2912866407,GGA,C2/m,A2B13C4_mC38_12_i_a6i_2i:Ba-O-Ti,19.0,A2B13C4_mC38_12_i_a6i_2i:Ba-O-Ti +mp-7733,Ba2Ti6O13,-8.9909855371,-3.4901352883,0.0,-0.0064276582,GGA,C2/m,A2B13C6_mC42_12_i_a6i_3i:Ba-O-Ti,21.0,"Invalid WP multiplicities - A2B13C6_mC42_12_i_a7i_3i:Ba-O-Ti, expected Ba2Ti6O15 to be Ba2Ti6O13" +mp-1214495,Ba3TiO5,-7.5289278856,-3.2638322863,0.0080883117,0.0080883117,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ba-O-Ti,18.0,A3B5C_tI36_140_ah_cl_b:Ba-O-Ti +mp-1400415,Ba2Ti3O8,-8.4703909123,-3.3090112492,0.2085462088,0.2085462088,GGA,P4/mmm,A2B8C3_tP13_123_h_egi_bg:Ba-O-Ti,13.0,"Invalid WP multiplicities - A2B8C3_tP13_123_h_2e2g2i_b2g:Ba-O-Ti, expected Ba2Ti5O16 to be Ba2Ti3O8" +mp-1048209,Ba2Ti3O7,-8.2909983792,-3.1117278034,0.2838712375,0.2838712375,GGA,Pm,A2B7C3_mP12_6_c_a3c_ac:Ba-O-Ti,12.0,A2B7C3_mP12_6_c_a3c_ac:Ba-O-Ti +mp-558125,BaTiO3,-8.420601784,-3.4896951659,0.003305198,-0.0188969787,GGA,C222_1,AB3C_oC60_20_ac_a4c_bc:Ba-O-Ti,30.0,"Invalid WP multiplicities - AB3C_oC60_20_a2c_2a15c_2b3c:Ba-O-Ti, expected Ba5Ti8O32 to be BaTiO3" +mp-644497,BaTiO3,-7.709675374,-2.7787687559,0.7142316080000001,0.6920294313,GGA,Amm2,AB3C_oC10_38_b_ad_a:Ba-O-Ti,5.0,AB3C_oC10_38_b_ad_a:Ba-O-Ti +mp-5777,BaTiO3,-8.423433802,-3.4925271839,0.00047318,-0.0217289967,GGA,Amm2,AB3C_oC10_38_a_ae_b:Ba-O-Ti,5.0,AB3C_oC10_38_a_ae_b:Ba-O-Ti +mp-995191,BaTiO3,-6.61729243,-1.6863858119,1.806614552,1.7844123753,GGA,Amm2,AB3C_oC10_38_b_ad_a:Ba-O-Ti,5.0,AB3C_oC10_38_b_ad_a:Ba-O-Ti +mp-1076932,BaTiO3,-7.444891614,-2.5139849959,0.979015368,0.9568131913,GGA,Amm2,AB3C_oC10_38_a_ae_b:Ba-O-Ti,5.0,AB3C_oC10_38_a_ae_b:Ba-O-Ti +mp-5986,BaTiO3,-8.420699606,-3.4897929879,0.003207376,-0.0189948007,GGA,P4mm,AB3C_tP5_99_b_ac_a:Ba-O-Ti,5.0,AB3C_tP5_99_b_ac_a:Ba-O-Ti +mp-19990,BaTiO3,-6.616488108,-1.6855814899,1.807418874,1.7852166973,GGA,P4/mmm,AB3C_tP5_123_a_be_d:Ba-O-Ti,5.0,AB3C_tP5_123_a_be_d:Ba-O-Ti +mp-5020,BaTiO3,-8.423906982,-3.4930003639,0.0,-0.0222021767,GGA,R3m,AB3C_hR15_160_a_b_a:Ba-O-Ti,5.0,AB3C_hR15_160_a_b_a:Ba-O-Ti +mp-5933,BaTiO3,-8.4155040363,-3.4845974183,0.0084029457,-0.013799231,GGA,P6_3/mmc,AB3C_hP30_194_bf_hk_af:Ba-O-Ti,30.0,AB3C_hP30_194_bf_hk_af:Ba-O-Ti +mp-2998,BaTiO3,-8.409168392,-3.4782617739,0.01473859,-0.0074635867,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Ti,5.0,AB3C_cP5_221_a_c_b:Ba-O-Ti +mp-504715,BaTiO3,-5.346455884,-0.4155492659,3.077451098,3.0552489213,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ba-O-Ti,5.0,AB3C_cP5_221_b_c_a:Ba-O-Ti +mp-27790,BaTi5O11,-9.1498845665,-3.5140015755,0.0058114125,0.0058114125,GGA,P2_1/c,AB11C5_mP68_14_e_11e_5e:Ba-O-Ti,68.0,"Invalid WP multiplicities - AB11C5_mP68_14_e_13e_5e:Ba-O-Ti, expected BaTi5O13 to be BaTi5O11" +mp-1227654,BaTi6O12,-9.1925539932,-3.4740175945,0.0031349877,0.0031349877,GGA,C2/m,AB12C6_mC76_12_g_4i4j_2i2j:Ba-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_mC76_12_g_8i10j_4i4j:Ba-O-Ti, expected BaTi12O28 to be BaTi6O12" +mp-757206,BaTi6O12,-9.1930633666,-3.4745269679,0.0026256143,0.0026256143,GGA,I4/m,AB12C6_tI76_87_e_2h2i_hi:Ba-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_tI76_87_e_7h11i_4h5i:Ba-O-Ti, expected BaTi28O58 to be BaTi6O12" +mp-760078,Ba4Ti11O26,-8.9387803617,-3.4963360096,0.0328892434,0.0328892434,GGA,P1,A4B26C11_aP41_1_4a_26a_11a:Ba-O-Ti,41.0,A4B26C11_aP41_1_4a_26a_11a:Ba-O-Ti +mp-1228496,Ba4Ti11O26,-8.94934256,-3.5068982079,0.0223270451,0.0223270451,GGA,P1,A4B26C11_aP41_1_4a_26a_11a:Ba-O-Ti,41.0,A4B26C11_aP41_1_4a_26a_11a:Ba-O-Ti +mp-774530,Ba4Ti11O26,-8.9441702559,-3.5017259038,0.0274993492,0.0274993492,GGA,C2/m,A4B26C11_mC164_12_2ij_abf12i6j_5i3j:Ba-O-Ti,82.0,"Invalid WP multiplicities - A4B26C11_mC164_12_4i2j_abf24i12j_10i5j:Ba-O-Ti, expected Ba4Ti10O25 to be Ba4Ti11O26" +mp-3175,BaTi4O9,-9.0873652007,-3.5144265287,0.0090993316,0.0090993316,GGA,Pmmn,AB9C4_oP28_59_a_b4e_2e:Ba-O-Ti,28.0,AB9C4_oP28_59_a_b4e_2e:Ba-O-Ti +mp-1227853,BaTi6O11,-9.1649495656,-3.4035327398,0.015167345,0.015167345,GGA,Cmc2_1,AB11C6_oC144_36_2a_4a9b_2a5b:Ba-O-Ti,72.0,"Invalid WP multiplicities - AB11C6_oC144_36_4a_8a29b_2a15b:Ba-O-Ti, expected Ba2Ti16O33 to be BaTi6O11" +mp-33339,Ba3Ti3O8,-8.2468673964,-3.3170880707,0.0458343825,0.0458343825,GGA,C2/m,A3B8C3_mC28_12_ai_eij_ci:Ba-O-Ti,14.0,"Invalid WP multiplicities - A3B8C3_mC28_12_ci_2e2i4j_bi:Ba-O-Ti, expected BaTiO8 to be Ba3Ti3O8" +mp-29298,Ba4Ti13O30,-9.0321921115,-3.5275547218,0.0,-0.0043573964,GGA,Cmce,A4B30C13_oC188_64_g_e2f6g_adf2g:Ba-O-Ti,94.0,A4B30C13_oC188_64_g_e2f6g_adf2g:Ba-O-Ti +mp-556729,Ba6Ti17O40,-8.9734490102,-3.519405163,0.0095085227,0.0095085227,GGA,C2/c,A6B40C17_mC252_15_3f_20f_ac3e6f:Ba-O-Ti,126.0,"Invalid WP multiplicities - A6B40C17_mC252_15_10f_75f_2a2c6e22f:Ba-O-Ti, expected Ba10Ti27O75 to be Ba6Ti17O40" +mp-1214320,BaTi(GeO3)3,-7.5132844857,-2.6415881341,0.0056391265,0.0056391265,GGA,P-6c2,AB3C9D_hP28_188_a_k_kl_c:Ba-Ge-O-Ti,28.0,AB3C9D_hP28_188_a_k_kl_c:Ba-Ge-O-Ti +mp-560731,Ba2Ti9O20,-9.1239292269,-3.5164727026,0.0050170665,0.0050170665,GGA,P-1,A2B20C9_aP124_2_4i_40i_18i:Ba-O-Ti,124.0,"Invalid WP multiplicities - A2B20C9_aP124_2_7i_79i_36i:Ba-O-Ti, expected Ba7Ti36O79 to be Ba2Ti9O20" +mp-3397,Ba2TiO4,-7.9027034879,-3.399818239,0.0,-0.054148147,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ba-O-Ti,28.0,A2B4C_mP28_14_2e_4e_e:Ba-O-Ti +mp-554529,Ba2TiO4,-7.9013215494,-3.3984363006,0.0013819385,-0.0527662086,GGA,Pna2_1,A2B4C_oP84_33_6a_12a_3a:Ba-O-Ti,84.0,"Invalid WP multiplicities - A2B4C_oP84_33_21a_44a_8a:Ba-O-Ti, expected Ba21Ti8O44 to be Ba2TiO4" +mp-36194,Ba2TiO4,-7.7428619829,-3.239976734,0.159841505,0.105693358,GGA,P4/mmm,A2B4C_tP7_123_h_eg_b:Ba-O-Ti,7.0,"Invalid WP multiplicities - A2B4C_tP7_123_h_2eg_b:Ba-O-Ti, expected Ba2TiO6 to be Ba2TiO4" +mp-555966,BaTi2O5,-8.8187309896,-3.5133056734,0.0195999685,0.0022510075,GGA,C2,AB5C2_mC48_5_ac_b7c_3c:Ba-O-Ti,24.0,"Invalid WP multiplicities - AB5C2_mC48_5_ac_b14c_5c:Ba-O-Ti, expected Ba3Ti10O29 to be BaTi2O5" +mp-3943,BaTi2O5,-8.815363015,-3.5099376988,0.0229679431,0.0056189821,GGA,C2/m,AB5C2_mC48_12_ai_d7i_3i:Ba-O-Ti,24.0,AB5C2_mC48_12_ai_c7i_3i:Ba-O-Ti +mp-558159,BaTi2O5,-8.8383309581,-3.5329056419,0.0,-0.017348961,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Ba-O-Ti,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_4c:Ba-O-Ti, expected BaTi4O17 to be BaTi2O5" +mp-771189,Ba4Ti3O10,-8.1869682724,-3.4323057475,0.0223255062,0.0223255062,GGA,Fmm2,A4B10C3_oF68_42_2c_2cde_ac:Ba-O-Ti,17.0,"Invalid WP multiplicities - A4B10C3_oF68_42_4c_4cde_ac:Ba-O-Ti, expected Ba8Ti3O14 to be Ba4Ti3O10" +mp-1178581,Ba4Ti3O10,-8.1846256597,-3.4299631349,0.0246681188,0.0246681188,GGA,Cmce,A4B10C3_oC68_64_2f_c2fg_af:Ba-O-Ti,34.0,"Invalid WP multiplicities - A4B10C3_oC68_64_4f_2c4fg_af:Ba-O-Ti, expected Ba8Ti3O16 to be Ba4Ti3O10" +mp-623165,Cs2Ce10Os2I17,-4.9017987861000005,-1.3978097828,0.0,-0.0288746871,GGA,C2/m,A10B2C17D2_mC62_12_3ij_g_a2i3j_i:Ce-Cs-I-Os,31.0,"Invalid WP multiplicities - A10B2C17D2_mC62_12_5i2j_g_a4i12j_i:Ce-Cs-I-Os, expected Cs2Ce18Os2I57 to be Cs2Ce10Os2I17" +mp-1205683,Cs2KCrCl6,-4.407550977,-2.0430038649,0.0050433975,0.0050433975,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-Cs-K,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cr-Cs-K +mp-556275,Rb2Al2Sb2O7,-6.5544077554,-2.5284813505,0.0,-0.0527554938,GGA,P-3m1,A2B7C2D2_hP13_164_c_ai_d_d:Al-O-Rb-Sb,13.0,"Invalid WP multiplicities - A2B7C2D2_hP13_164_c_a2i_d_d:Al-O-Rb-Sb, expected Rb2Al2Sb2O13 to be Rb2Al2Sb2O7" +mp-1332806,Rb6Al4(Sb2O7)3,-6.036425447,-1.995344957,0.3644918052,0.3644918052,GGA,C2/m,A4B21C6D6_mC74_12_2i_a4i3j_3i_3i:Al-O-Rb-Sb,37.0,"Invalid WP multiplicities - A4B21C6D6_mC74_12_3i_a8i12j_6i_6i:Al-O-Rb-Sb, expected Rb12Al6Sb12O65 to be Rb6Al4(Sb2O7)3" +mp-9698,Rb6AlSb3,-2.649463778,-0.4478853795,0.0,-0.0538224401,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:Al-Rb-Sb,20.0,AB6C3_mP20_11_e_6e_3e:Al-Rb-Sb +mp-1355028,Rb6Al2(Sb2O7)3,-5.4902237231,-1.4322572525,0.7335103858,0.7335103858,GGA,C2/m,A2B21C6D6_mC70_12_i_a4i3j_3i_3i:Al-O-Rb-Sb,35.0,"Invalid WP multiplicities - A2B21C6D6_mC70_12_i_a7i12j_6i_6i:Al-O-Rb-Sb, expected Rb12Al2(Sb4O21)3 to be Rb6Al2(Sb2O7)3" +mp-1110595,Rb2AsAuF6,-4.395367537,-2.2590733015,0.220355113,0.220355113,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-F-Rb +mp-1210101,NaBe2Tl3F8,-5.0751059179,-2.8478836176,0.0001122982,0.0001122982,GGA,P-3m1,A2B8CD3_hP14_164_d_di_a_bd:Be-F-Na-Tl,14.0,A2B8CD3_hP14_164_d_di_a_bd:Be-F-Na-Tl +mp-1246246,Ca5(CuN2)2,-5.4829520725,-0.7945527598000001,0.0,-0.0568965769,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-Cu-N,44.0,A5B2C4_tP44_130_cg_f_g:Ca-Cu-N +mp-1246500,Ca3CuN3,-5.618344955,-0.6004176571000001,0.1829822913,0.1829822913,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-Cu-N,14.0,A3BC3_hP14_176_h_c_h:Ca-Cu-N +mp-29199,BaCuN,-5.2533643406,-0.4684721622,0.0,-0.0423535111,GGA,C2/c,ABC_mC36_15_ef_cf_af:Ba-Cu-N,18.0,ABC_mC36_15_ef_af_cf:Ba-Cu-N +mp-1350317,BaCa3(CuN2)2,-5.394915978,-0.446899216,0.2724549073,0.2724549073,GGA,Pna2_1,AB3C2D4_oP40_33_a_3a_2a_4a:Ba-Ca-Cu-N,40.0,"Invalid WP multiplicities - AB3C2D4_oP40_33_a_8a_4a_12a:Ba-Ca-Cu-N, expected BaCa8(CuN3)4 to be BaCa3(CuN2)2" +mp-569603,BaCa4(CuN2)2,-5.4371780139,-0.7566536957000001,0.0,-0.0180009344,GGA,P4/ncc,AB4C2D4_tP44_130_c_g_f_g:Ba-Ca-Cu-N,44.0,AB4C2D4_tP44_130_c_g_f_g:Ba-Ca-Cu-N +mp-1443117,Ca2CuN2,-5.5660788960000005,-0.60939964,0.1217736452,0.1217736452,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ca-Cu-N,10.0,A2BC2_mC20_12_2i_i_2i:Ca-Cu-N +mp-1402859,Ca(CuN)2,-5.270923228,0.104477386,0.54998117,0.54998117,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Ca-Cu-N,5.0,AB2C2_tP5_115_a_f_g:Ca-Cu-N +mp-1246600,Ba3CuN3,-5.2998270507,-0.3190247271,0.2469936148,0.2469936148,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Cu-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Cu-N +mp-1245897,Ba2CuN2,-5.367848616,-0.445819336,0.090935152,0.090935152,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Cu-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Cu-N +mp-1245832,CaCuN,-5.3467078,-0.5329406417,0.0763704293,0.0763704293,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Ca-Cu-N,12.0,ABC_mC24_12_2i_2i_2i:Ca-Cu-N +mp-1245836,CaCuN,-5.2928590433,-0.479091885,0.130219186,0.130219186,GGA,P-6m2,ABC_hP3_187_c_b_a:Ca-Cu-N,3.0,ABC_hP3_187_c_b_a:Ca-Cu-N +mp-1246870,Ca5CuN4,-5.381481535,-0.634162958,0.2085519604,0.2085519604,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Cu-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Cu-N +mp-1112107,Cs2TlInI6,-2.783784042,-1.2092510699,0.0394992208,0.0394992208,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Tl +mp-643439,BaMg2H8Os,-4.1468241542,-0.5227649183,0.0,-0.027573484,GGA,P4_2/mmc,AB8C2D_tP24_131_c_gkn_i_e:Ba-H-Mg-Os,24.0,AB8C2D_tP24_131_c_gkn_i_e:Ba-H-Mg-Os +mp-643002,Mg2H6Os,-4.3089242211,-0.4440037989,0.0,-0.2477309167,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:H-Mg-Os,9.0,A6B2C_cF36_225_e_c_a:H-Mg-Os +mp-697044,Ba2H6Os,-4.5746582656,-0.6389167567,0.0,-0.2346675561,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Ba-H-Os,9.0,A2B6C_cF36_225_c_e_a:Ba-H-Os +mp-1210483,Na2CoNiF7,-5.157417175,-2.5288846446,0.0,-0.0170848648,GGA+U,Imma,AB7C2D_oI44_74_c_ehj_ad_b:Co-F-Na-Ni,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_c_2e2hj_ad_b:Co-F-Na-Ni, expected Na2CoNiF10 to be Na2CoNiF7" +mp-1111581,K2TlGaCl6,-3.61534256,-1.7450668577,0.108201567,0.108201567,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Tl +mp-505088,NbTe4I,-4.7162500225,-0.6916008619,0.0,-0.0012666376,GGA,P2_1/c,ABC4_mP48_14_2e_2e_8e:I-Nb-Te,48.0,"Invalid WP multiplicities - ABC4_mP48_14_8e_4e_27e:I-Nb-Te, expected Nb4Te27I8 to be NbTe4I" +mp-1205627,Nb(SeI)2,-4.939992007,-0.9320198679,0.0,-0.0210425098,GGA,C2/m,A2BC2_mC20_12_j_g_2i:I-Nb-Se,10.0,A2BC2_mC20_12_j_g_2i:I-Nb-Se +mp-2355707,NbSeI,-6.0621848775,-1.0386572549,0.0,-0.036309905,GGA,Imm2,ABC_oI24_44_cd_cd_cd:I-Nb-Se,12.0,"Invalid WP multiplicities - ABC_oI24_44_2c2d_cd_2cd:I-Nb-Se, expected Nb2Se3I4 to be NbSeI" +mp-23051,NbSeI,-6.0539195383,-1.0303919158,0.0082653392,-0.0280445658,GGA,F-43m,ABC_cF48_216_e_e_e:I-Nb-Se,12.0,ABC_cF48_216_e_e_e:I-Nb-Se +mp-651961,Nb4Te17I4,-4.6741978904,-0.6848024605,0.0,-0.0208656331,GGA,C2/c,A4B4C17_mC100_15_2f_2f_e8f:I-Nb-Te,50.0,"Invalid WP multiplicities - A4B4C17_mC100_15_5f_6f_2e30f:I-Nb-Te, expected Nb6Te31I5 to be Nb4Te17I4" +mp-1204878,Nb10Se40I3,-5.5705096781,-0.9427812148,0.0,-0.0034925595,GGA,P2/c,A3B10C40_mP106_13_eg_ef4g_20g:I-Nb-Se,106.0,A3B10C40_mP106_13_eg_ef4g_20g:I-Nb-Se +mp-569026,Nb10Se40I3,-5.214733487,-0.5870050237000001,0.3557761911,0.3522836317,GGA,P4/mcc,A3B10C40_tP106_124_ah_f2i_2m4n:I-Nb-Se,106.0,"Invalid WP multiplicities - A3B10C40_tP106_124_ah_4f9i_16m50n:I-Nb-Se, expected Nb44Se464I3 to be Nb10Se40I3" +mp-540924,NbTeI3,-4.333631543,-0.8006895463,0.0,-0.0158216063,GGA,P2/c,A3BC_mP20_13_3g_g_g:I-Nb-Te,20.0,A3BC_mP20_13_3g_g_g:I-Nb-Te +mp-28745,Nb2Te6I,-5.2169788864,-0.7129997986000001,0.0,-0.0038089021,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:I-Nb-Te,36.0,AB2C6_mP36_14_e_2e_6e:I-Nb-Te +mp-570873,Nb(Te2I3)2,-3.377635645,-0.5126604892000001,0.0923806958,0.0923806958,GGA,P-1,A6BC4_aP22_2_6i_i_4i:I-Nb-Te,22.0,"Invalid WP multiplicities - A6BC4_aP22_2_11i_i_7i:I-Nb-Te, expected NbTe7I11 to be Nb(Te2I3)2" +mp-653891,NbTe2(SeI3)2,-3.590891697,-0.661806435,0.0017427081,0.0017427081,GGA,P-1,A6BC2D2_aP44_2_12i_2i_4i_4i:I-Nb-Se-Te,44.0,"Invalid WP multiplicities - A6BC2D2_aP44_2_22i_4i_7i_8i:I-Nb-Se-Te, expected Nb4Te8Se7I22 to be NbTe2(SeI3)2" +mp-541817,NbSeI3,-4.486534378,-0.8830712645000001,0.0,-0.0030612791,GGA,C2/c,A3BC_mC40_15_3f_f_f:I-Nb-Se,20.0,A3BC_mC40_15_3f_f_f:I-Nb-Se +mp-28798,Nb4Te12I,-5.1680695376,-0.4858191124,0.2203960427,0.2203960427,GGA,C2/c,AB4C12_mC68_15_e_2f_6f:I-Nb-Te,34.0,"Invalid WP multiplicities - AB4C12_mC68_15_e_4f_7f:I-Nb-Te, expected Nb8Te14I to be Nb4Te12I" +mp-567252,Nb3Se12I,-5.5480241478,-0.9400104477,0.0003616111,-0.0019551724,GGA,P-42_1c,AB3C12_tP64_114_c_3d_6e:I-Nb-Se,64.0,"Invalid WP multiplicities - AB3C12_tP64_114_c_9d_40e:I-Nb-Se, expected Nb9Se80I to be Nb3Se12I" +mp-23410,Nb3Se12I,-5.5483857589,-0.9403720588,0.0,-0.0023167835,GGA,P4/mnc,AB3C12_tP64_128_e_df_2h2i:I-Nb-Se,64.0,"Invalid WP multiplicities - AB3C12_tP64_128_e_df_3h4i:I-Nb-Se, expected Nb3Se22I to be Nb3Se12I" +mp-567713,Nb3TeI7,-4.8312572445,-0.8530040206,0.0020235782,-0.0314786919,GGA,P3m1,A7B3C_hP11_156_a2d_d_b:I-Nb-Te,11.0,"Invalid WP multiplicities - A7B3C_hP11_156_a6d_d_b:I-Nb-Te, expected Nb3TeI19 to be Nb3TeI7" +mp-29689,Nb3TeI7,-4.8332808227,-0.8550275988,0.0,-0.0335022701,GGA,P6_3mc,A7B3C_hP22_186_b2c_c_a:I-Nb-Te,22.0,A7B3C_hP22_186_b2c_c_a:I-Nb-Te +mp-861926,KGd2CuSe4,-7.6776462087,-1.7594592078,0.0,-0.0850068441,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Gd-K-Se,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_2a2c4f:Cu-Gd-K-Se, expected KGd2CuSe12 to be KGd2CuSe4" +mp-8333,RbNaSnF6,-4.9946653328,-3.0189425521,0.0,-0.0047663731,GGA,Pbcn,A6BCD_oP72_60_6d_d_2c_d:F-Na-Rb-Sn,72.0,"Invalid WP multiplicities - A6BCD_oP72_60_9d_d_2c_d:F-Na-Rb-Sn, expected RbNaSnF9 to be RbNaSnF6" +mp-8081,Na2SnF6,-5.0088950506,-2.9951732453,0.0,-0.1838813628,GGA,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Na-Sn,18.0,A6B2C_tP18_136_fj_e_a:F-Na-Sn +mp-27310,Na4Sn3F10,-4.920924385,-2.7777710665,0.0,-0.0102846107,GGA,C2/c,A10B4C3_mC68_15_5f_2ef_ef:F-Na-Sn,34.0,"Invalid WP multiplicities - A10B4C3_mC68_15_6f_2ef_ef:F-Na-Sn, expected Na4Sn3F12 to be Na4Sn3F10" +mp-1206049,Rb2SnF6,-4.9709028689,-3.0331791128,0.0,-0.2503205989,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-Rb-Sn,9.0,A6B2C_hP9_164_i_d_a:F-Rb-Sn +mp-1206039,Rb2SnF6,-4.9532138789,-3.0154901228,0.01768899,-0.2326316089,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-Rb-Sn,9.0,A6B2C_cF36_225_e_c_a:F-Rb-Sn +mp-13599,NaSn2F5,-5.0586081448,-2.6962251647,0.0,-0.0160068563,GGA,P4_2/nbc,A5BC2_tP64_133_j2k_ac_k:F-Na-Sn,64.0,"Invalid WP multiplicities - A5BC2_tP64_133_2j7k_ac_k:F-Na-Sn, expected NaSn2F16 to be NaSn2F5" +mp-998193,RbSnF3,-4.88869977,-2.743791204,0.0421968916,0.015393891,GGA,P1,A3BC_aP5_1_3a_a_a:F-Rb-Sn,5.0,A3BC_aP5_1_3a_a_a:F-Rb-Sn +mp-1198796,RbSnF3,-4.9308966616,-2.7859880956,0.0,-0.0268030006,GGA,P2_1/c,A3BC_mP80_14_12e_4e_4e:F-Rb-Sn,80.0,A3BC_mP80_14_12e_4e_4e:F-Rb-Sn +mp-998620,RbSnF3,-4.918072841,-2.773164275,0.0128238206,-0.01397918,GGA,R-3,A3BC_hR30_148_f_c_c:F-Rb-Sn,10.0,A3BC_hR30_148_f_c_c:F-Rb-Sn +mp-530885,Rb16Sn16F47,-4.8950398178,-2.7471764468,0.0222997037,0.0222997037,GGA,P1,A47B16C16_aP79_1_47a_16a_16a:F-Rb-Sn,79.0,A47B16C16_aP79_1_47a_16a_16a:F-Rb-Sn +mp-555234,RbSbBrF3,-4.5926916417,-2.5265248842,0.0,-0.0095199419,GGA,P-1,AB3CD_aP12_2_i_3i_i_i:Br-F-Rb-Sb,12.0,"Invalid WP multiplicities - AB3CD_aP12_2_i_4i_i_i:Br-F-Rb-Sb, expected RbSbBrF4 to be RbSbBrF3" +mp-1112211,K2AlHgBr6,-3.059769811,-1.5009474041000002,0.1543515697,0.1543515697,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Br-Hg-K +mp-1188447,Ca2HoTaO6,-8.6319626905,-3.6188108378,0.0051963822,0.0051963822,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ho-O-Ta,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Ho-O-Ta +mp-1517475,Ba2TbPrO6,-7.3308470727,-3.0375116725,0.1136054996,0.1136054996,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Tb,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Tb +mp-1517550,Ba2TbPrO6,-7.277763265,-2.9844278648,0.1666893074,0.1666893074,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Tb +mp-1187273,Tb2Pr2O5,-7.9218468589,-3.0814038293,0.5157721764000001,0.5157721764000001,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Pr-Tb,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_ab_h:O-Pr-Tb, expected Tb2Pr2O9 to be Tb2Pr2O5" +mp-1101308,TbPrO4,-7.9855858625,-3.1185814125,0.09817004,0.09817004,GGA,P2_1/m,A4BC_mP12_11_2f_e_e:O-Pr-Tb,12.0,"Invalid WP multiplicities - A4BC_mP12_11_3f_e_e:O-Pr-Tb, expected TbPrO6 to be TbPrO4" +mp-769938,TbPrO4,-7.9855968025,-3.1185923525,0.0981591,0.0981591,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pr-Tb,24.0,"Invalid WP multiplicities - A4BC_mP12_11_3f_e_e:O-Pr-Tb, expected TbPrO6 to be TbPrO4" +mp-753768,TbPrO4,-7.9649874375,-3.0979829875,0.118768465,0.118768465,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pr-Tb,12.0,A4BC_tI24_141_f_a_b:O-Pr-Tb +mp-1205676,NaSr2OsO6,-6.898253812,-2.3373526222,0.0,-0.0082825619,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Na-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Na-O-Os-Sr +mp-1202720,Cs2TeS3,-3.8843397406,-0.9937630343,0.0109540897,0.0109540897,GGA,P2_1/c,A2B3C_mP48_14_4e_6e_2e:Cs-S-Te,48.0,A2B3C_mP48_14_4e_6e_2e:Cs-S-Te +mp-1192359,Cs2Mn(TeS3)2,-4.5898509964,-0.7663845396000001,0.1216138519,0.1216138519,GGA,P-3c1,A2BC6D2_hP22_165_d_b_g_d:Cs-Mn-S-Te,22.0,A2BC6D2_hP22_165_d_b_g_d:Cs-Mn-S-Te +mp-562833,Co5Se4(BrO6)2,-6.1428361289,-1.2736380385,0.0,-0.0243008112,GGA+U,P-1,A2B5C12D4_aP23_2_i_a2i_6i_2i:Br-Co-O-Se,46.0,"Invalid WP multiplicities - A2B5C12D4_aP23_2_i_2a2i_6i_2i:Br-Co-O-Se, expected Co3Se2BrO6 to be Co5Se4(BrO6)2" +mp-29562,Tl2MoCl6,-4.3387932244,-1.3763314063,0.0,-0.0594078337,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Mo-Tl,9.0,A6BC2_cF36_225_e_a_c:Cl-Mo-Tl +mp-559041,TlMo2Cl7O2,-5.3251762521,-1.4179198013,0.0558150417,0.0558150417,GGA+U,P-1,A7B2C2D_aP24_2_7i_2i_2i_i:Cl-Mo-O-Tl,24.0,"Invalid WP multiplicities - A7B2C2D_aP24_2_13i_3i_4i_i:Cl-Mo-O-Tl, expected TlMo3Cl13O4 to be TlMo2Cl7O2" +mp-572192,TlMo2Cl7O2,-5.3331831083,-1.4259266576,0.0478081855,0.0478081855,GGA+U,Pmmn,A7B2C2D_oP24_59_afg_e_e_b:Cl-Mo-O-Tl,24.0,"Invalid WP multiplicities - A7B2C2D_oP24_59_2a4f4g_e_e_b:Cl-Mo-O-Tl, expected TlMo2(Cl13O)2 to be TlMo2Cl7O2" +mp-1196512,Ca5Cr3ClO12,-7.4365270355,-2.6652916543,0.0054225948,0.0054225948,GGA+U,P6_3/m,A5BC3D12_hP42_176_fh_b_h_2hi:Ca-Cl-Cr-O,42.0,A5BC3D12_hP42_176_fh_b_h_2hi:Ca-Cl-Cr-O +mp-1208398,Tl2(SeO4)3,-5.4754465466,-1.0887827077,0.0,-0.0947051396,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-Se-Tl,68.0,A12B3C2_mP68_14_12e_3e_2e:O-Se-Tl +mp-675953,Tl2SeO4,-5.2269773314,-1.2258412434,0.0106947446,-0.1083961671,GGA,C2/c,A4BC2_mC28_15_2f_e_ae:O-Se-Tl,14.0,"Invalid WP multiplicities - A4BC2_mC28_15_7f_e_2c2e:O-Se-Tl, expected Tl4SeO14 to be Tl2SeO4" +mp-559961,Tl2SeO4,-5.2376720761,-1.2365359881,0.0,-0.1190909118,GGA,P2_12_12_1,A4BC2_oP28_19_4a_a_2a:O-Se-Tl,28.0,"Invalid WP multiplicities - A4BC2_oP28_19_15a_a_6a:O-Se-Tl, expected Tl6SeO15 to be Tl2SeO4" +mp-4449,Tl2SeO4,-5.2366369025,-1.2355008145,0.0010351736,-0.1180557382,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:O-Se-Tl,28.0,A4BC2_oP28_62_2cd_c_2c:O-Se-Tl +mp-1388601,Tl2SeO4,-5.2265982871,-1.2254621991,0.0110737889,-0.1080171229,GGA,Cmcm,A4BC2_oC28_63_fg_c_ac:O-Se-Tl,14.0,"Invalid WP multiplicities - A4BC2_oC28_63_3f4g_c_2a2c:O-Se-Tl, expected Tl4SeO14 to be Tl2SeO4" +mp-553909,Tl2(SeO3)3,-5.4737526989,-1.2070941898,0.0,-0.0416225177,GGA,P2_1/c,A9B3C2_mP56_14_9e_3e_2e:O-Se-Tl,56.0,"Invalid WP multiplicities - A9B3C2_mP56_14_34e_10e_6e:O-Se-Tl, expected Tl3Se5O17 to be Tl2(SeO3)3" +mp-1202760,Tl(SeO3)2,-5.2104629992,-0.8732854026,0.2878788433,0.2878788433,GGA,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Se-Tl,36.0,A6B2C_oP36_19_6a_2a_a:O-Se-Tl +mp-1201686,Tl2Mo3SeO12,-7.2900800878,-1.7279460524,0.0,-0.0144872808,GGA+U,P31c,A3B12CD2_hP36_159_c_4c_a_2b:Mo-O-Se-Tl,36.0,A3B12CD2_hP36_159_c_4c_a_2b:Mo-O-Se-Tl +mp-1239165,TaCr3(AgS4)2,-6.5710269046,-0.8871961202,0.0362822861,0.0362822861,GGA,P1,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta,28.0,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta +mp-1239182,TaCr3(AgS4)2,-6.4052940943,-0.7214633099000001,0.2020150965,0.2020150965,GGA,P1,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta,28.0,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta +mp-1239201,TaCr3(AgS4)2,-6.4018586668,-0.7180278824,0.205450524,0.205450524,GGA,P1,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta,28.0,A2B3C8D_aP28_1_4a_6a_16a_2a:Ag-Cr-S-Ta +mp-5683,U(MnSi)2,-8.449208854,-0.3559935232,0.038750525,0.038750525,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-U,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-U +mp-1044010,ZnSnBiO5,-5.8997966519,-1.669390633,0.1230397756,0.1230397756,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-Sn-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-Sn-Zn, expected ZnSnBiO15 to be ZnSnBiO5" +mp-1042363,ZnSnBiO5,-5.8990654956,-1.6686594767,0.1237709319,0.1237709319,GGA,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-Sn-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-Sn-Zn, expected ZnSnBiO31 to be ZnSnBiO5" +mp-1215501,ZnCdSeS,-3.329634995,-0.8758863164,0.0834857539,0.0834857539,GGA,P3m1,ABCD_hP4_156_a_a_b_b:Cd-S-Se-Zn,4.0,ABCD_hP4_156_a_a_b_b:Cd-S-Se-Zn +mp-1215630,Zn4CdSe4S,-3.344750303,-0.9365543052,0.0181311416,0.0181311416,GGA,Imm2,ABC4D4_oI20_44_a_b_2c_2c:Cd-S-Se-Zn,10.0,"Invalid WP multiplicities - ABC4D4_oI20_44_a_b_3c_3c:Cd-S-Se-Zn, expected Zn6CdSe6S to be Zn4CdSe4S" +mp-11769,CoCu2SiS4,-5.306132235,-0.6464011559,0.0648410033,0.0648410033,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Co-Cu-S-Si,8.0,AB2C4D_tI16_121_a_d_i_b:Co-Cu-S-Si +mp-27442,RbCrI3,-4.0415208085,-1.03078469,0.0635655726,0.0635655726,GGA,C2,AB3C_mC40_5_abc_6c_2c:Cr-I-Rb,20.0,"Invalid WP multiplicities - AB3C_mC40_15_ce_4f_f:Cr-I-Rb, expected RbCrI4 to be RbCrI3" +mp-676553,RbCrI3,-4.037549546,-1.0268134275,0.0675368351,0.0675368351,GGA,C2/m,AB3C_mC20_12_ac_ij_i:Cr-I-Rb,10.0,"Invalid WP multiplicities - AB3C_mC20_12_ac_2ij_i:Cr-I-Rb, expected RbCrI4 to be RbCrI3" +mp-1209504,Rb2Cr(ICl)2,-4.1909559664,-1.5826814471,0.0081566821,0.0081566821,GGA,Cmce,A2BC2D2_oC28_64_f_a_d_d:Cl-Cr-I-Rb,14.0,A2BC2D2_oC28_64_f_a_d_d:Cl-Cr-I-Rb +mp-1221070,Rb2Cr(ICl)2,-3.8994525343,-1.291178015,0.2996601143,0.2996601143,GGA,Cmce,A2BC2D2_oC28_64_f_a_f_d:Cl-Cr-I-Rb,14.0,A2BC2D2_oC28_64_f_a_f_d:Cl-Cr-I-Rb +mp-1111657,K2LiTmCl6,-4.409551394,-2.4398737796,0.0152682352,0.0152682352,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tm +mp-1208636,Tb12(MnC3)5,-7.8361152912,-0.3407261648,0.0,-0.0430716409,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Tb,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Tb +mp-1205526,TbMn2SiC,-8.013958758,-0.4914827167,0.0,-0.0587907543,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Tb +mp-1197004,Tb10Mn13C18,-8.3883084024,-0.3013367278,0.0,-0.0455968598,GGA,I-43m,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Tb,41.0,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Tb +mp-28827,Tb3(MnC3)2,-8.2399880518,-0.276431521,0.0,-0.0033999938,GGA,P6_3/m,A6B2C3_hP22_176_2h_bc_h:C-Mn-Tb,22.0,A6B2C3_hP22_176_2h_bc_h:C-Mn-Tb +mp-1112066,K2LuAuCl6,-4.117413023,-2.0067279856,0.0812659493,0.0812659493,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Lu,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Lu +mp-1110910,K2CuBiBr6,-3.343434288,-1.3955679206,0.0454452082,0.0454452082,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Br-Cu-K +mp-1112950,Cs2NbAgF6,-5.259772962,-2.6404190028,0.2829917793,0.2829917793,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Nb,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Nb +mp-1110982,Cs2NaCeF6,-5.570939311,-3.5194100112,0.0,-0.0459639372,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-Na +mp-1113855,Rb2ScTlF6,-5.54104068,-3.3285352598,0.0121415785,0.0121415785,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Sc-Tl +mp-1111063,Na2HgMoF6,-4.762824635,-2.2364991483,0.329392081,0.329392081,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mo-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mo-Na +mp-555510,Sr2YbRuO6,-7.0527321855,-2.6654191861000003,0.0,-0.0897493515,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Ru-Sr-Yb,,"Invalid WP multiplicities - A6BC2D_mP20_14_8e_a_e_b:O-Ru-Sr-Yb, expected Sr2YbRuO16 to be Sr2YbRuO6" +mp-1113113,Cs2AlAuF6,-4.885086025,-2.8571723871,0.1399189911,0.1399189911,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Al-Au-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Al-Au-Cs-F +mp-1093634,BaSrMg2,-0.3407943425,1.3614627808,1.43077219,1.43077219,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Mg-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Mg-Sr +mp-18549,Ba6Mg7F26,-5.831872979,-3.9750970009,0.0087337608,0.0087337608,GGA,Immm,A6B26C7_oI78_71_fm_2ef2lmo_begi:Ba-F-Mg,39.0,"Invalid WP multiplicities - A6B26C7_oI78_71_fm_3e2f2lmo_be2g2i:Ba-F-Mg, expected Ba6Mg11F30 to be Ba6Mg7F26" +mp-30942,Ba6Mg11F34,-5.7904686253,-3.9452291138,0.0022681984,0.0022681984,GGA,P-1,A6B34C11_aP51_2_3i_17i_a5i:Ba-F-Mg,51.0,"Invalid WP multiplicities - A6B34C11_aP51_2_3i_18i_a5i:Ba-F-Mg, expected Ba6Mg11F36 to be Ba6Mg11F34" +mp-541162,Ba2Mg3F10,-5.8076485847,-3.9574099377,0.0058318693,0.0058318693,GGA,C2/m,A2B10C3_mC60_12_2i_eh4i2j_g2i:Ba-F-Mg,30.0,A2B10C3_mC60_12_2i_eg4i2j_h2i:Ba-F-Mg +mp-1228153,Ba3SrMg4F16,-5.8440742788,-3.9927741974,0.0124964529,0.0124964529,GGA,Cm,A3B16C4D_mC48_8_3a_16a_4a_a:Ba-F-Mg-Sr,24.0,A3B16C4D_mC48_8_3a_16a_4a_a:Ba-F-Mg-Sr +mp-1016278,BaSrMg6,-1.5548616781,0.0964069085,0.1767088813,0.1767088813,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Sr, expected BaSrMg12 to be BaSrMg6" +mp-1016343,BaSrMg6,-1.5486576925,0.1026108942,0.1829128669,0.1829128669,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Sr, expected BaSrMg12 to be BaSrMg6" +mp-561022,SrMgF4,-5.8318708467,-4.0092559511,0.021730075,0.021730075,GGA,P2_1,A4BC_mP72_4_24a_6a_6a:F-Mg-Sr,72.0,"Invalid WP multiplicities - A4BC_mP72_4_47a_11a_11a:F-Mg-Sr, expected Sr11Mg11F47 to be SrMgF4" +mp-556290,SrMgF4,-5.7971704614,-3.9745555658,0.0564304603,0.0564304603,GGA,P2_1/m,A4BC_mP72_11_ac2e10f_2e2f_2e2f:F-Mg-Sr,72.0,"Invalid WP multiplicities - A4BC_aP12_1_44a_6a_8a:F-Mg-Sr, expected Sr4Mg3F22 to be SrMgF4" +mp-1095258,SrMgF4,-5.8289598808,-4.0063449853,0.0246410408,0.0246410408,GGA,Cmc2_1,A4BC_oC24_36_4a_a_a:F-Mg-Sr,12.0,A4BC_oC24_36_4a_a_a:F-Mg-Sr +mp-15316,SrMgF4,-5.7970524858,-3.9744375903,0.0565484358,0.0565484358,GGA,Cmcm,A4BC_oC24_63_acf_c_c:F-Mg-Sr,12.0,"Invalid WP multiplicities - A4BC_oC24_63_ac2f_c_c:F-Mg-Sr, expected SrMgF6 to be SrMgF4" +mp-14568,BaMgF4,-5.8538166050000005,-3.992954795,0.0037440633,0.0037440633,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-F-Mg,12.0,AB4C_oC24_36_a_4a_a:Ba-F-Mg +mp-1102083,BaMgF4,-5.8379309225,-3.9770691125,0.0196297458,0.0196297458,GGA,Cmcm,AB4C_oC24_63_c_acf_c:Ba-F-Mg,12.0,AB4C_oC24_63_c_acf_c:Ba-F-Mg +mp-1026581,BaSrMg14,-1.5377272,0.0880471183,0.1451153849,0.1451153849,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Sr, expected BaSrMg18 to be BaSrMg14" +mp-1026569,BaSrMg14,-1.55225563,0.0735186883,0.1305869549,0.1305869549,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Sr, expected BaSrMg26 to be BaSrMg14" +mp-1198727,Ba2SrMg4F14,-5.8221647004,-3.9798185538,0.0027787444,0.0027787444,GGA,P4_2/mnm,A2B14C4D_tP84_136_i_2f2gi2k_ij_e:Ba-F-Mg-Sr,84.0,A2B14C4D_tP84_136_i_2f2gi2k_ij_e:Ba-F-Mg-Sr +mp-24151,DyH2,-4.6021340867,-0.80472111,0.0,-0.1540337337,GGA,Fm-3m,AB2_cF12_225_a_c:Dy-H,3.0,AB2_cF12_225_a_c:Dy-H +mp-1225382,DyAlNi,-5.2251953308,-0.5143622142000001,0.0926305758,0.0701498525,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Dy-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Dy-Ni, expected Dy3(AlNi)2 to be DyAlNi" +mp-1225397,DyAlNi,-5.2212117633,-0.5103786467,0.0966141433,0.07413342,GGA,Amm2,ABC_oC24_38_abd_2c_ce:Al-Dy-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_3c_ce:Al-Dy-Ni, expected Dy3(AlNi)2 to be DyAlNi" +mp-3053,DyAlNi,-5.3178259067,-0.6069927900000001,0.0,-0.0224807233,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Dy-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Dy-Ni +mp-569385,DyAl2Ni,-5.1066519875,-0.6371331925,0.0,-0.0271867951,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Dy-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Dy-Ni +mp-1206375,DyH3,-4.1881053925,-0.4918641487,0.2401591496,0.1116766838,GGA,P-3m1,AB3_hP4_164_a_bd:Dy-H,4.0,AB3_hP4_164_a_bd:Dy-H +mp-1191571,DyH3,-4.4282645421,-0.7320232983,0.0,-0.1284824658,GGA,P-3c1,AB3_hP24_165_f_adg:Dy-H,24.0,AB3_hP24_165_f_adg:Dy-H +mp-1070646,Dy2AlNi2,-5.44629974,-0.5424151660000001,0.003467504,0.003467504,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Dy-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Dy-Ni +mp-16807,Dy3(AlNi3)2,-5.6563102491,-0.5660982255,0.0,-0.0241466249,GGA,Im-3m,A2B3C6_cI44_229_c_e_h:Al-Dy-Ni,22.0,A2B3C6_cI44_229_c_e_h:Al-Dy-Ni +mp-1225297,DyAlNi4,-5.77319431,-0.5277094117,0.0,-0.0186071611,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Dy-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Dy-Ni +mp-1225335,DyAlNi4,-5.7083382317,-0.4628533333,0.0648560783,0.0462489173,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Dy-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Dy-Ni +mp-1196242,Dy3Al2(Ni2H3)3,-4.7980355268,-0.4716921935,0.1411599715,0.1411599715,GGA,Im-3m,A2B3C9D6_cI80_229_c_e_abdf_h:Al-Dy-H-Ni,40.0,A2B3C9D6_cI80_229_c_e_abdf_h:Al-Dy-H-Ni +mp-1212853,DyAl3Ni2,-5.2252783972,-0.6579804489000001,0.0,-0.0136116556,GGA,P6/mmm,A3BC2_hP18_191_fk_ad_l:Al-Dy-Ni,18.0,A3BC2_hP18_191_fk_ad_l:Al-Dy-Ni +mp-31180,DyAl4Ni,-4.78104042,-0.5528359467,0.0,-0.0250683196,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Dy-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Dy-Ni +mp-1192283,Dy3AlNi8,-5.8177480642,-0.5004955817,0.0,-0.0119729417,GGA,P6_3/mmc,AB3C8_hP24_194_a_cf_bdk:Al-Dy-Ni,24.0,AB3C8_hP24_194_a_cf_bdk:Al-Dy-Ni +mp-29133,OsCl2O,-6.1160532075,-1.1482708422,0.0,-0.0970685513,GGA,Immm,A2BC_oI8_71_e_a_c:Cl-O-Os,4.0,A2BC_oI8_71_e_a_c:Cl-O-Os +mp-561099,Ba4Os6ClO18,-7.8133728286,-2.0916818699,0.0,-0.0791698177,GGA,I23,A4BC18D6_cI58_197_c_a_df_e:Ba-Cl-O-Os,29.0,"Invalid WP multiplicities - A4BC18D6_cI58_197_c_a_3d3f_e:Ba-Cl-O-Os, expected Ba4Os6ClO54 to be Ba4Os6ClO18" +mp-554501,Ba5Os3ClO15,-7.3613603869,-2.3894502069,0.0,-0.1062022024,GGA,P6_3cm,A5BC15D3_hP48_185_bc_a_c2d_c:Ba-Cl-O-Os,48.0,"Invalid WP multiplicities - A5BC15D3_hP48_185_2b2c_a_3c14d_c:Ba-Cl-O-Os, expected Ba10Os3ClO93 to be Ba5Os3ClO15" +mp-556006,OsCl4O,-4.9643997563,-1.0363659594,0.0,-0.1707678958,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Cl-O-Os,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:Cl-O-Os, expected OsCl13O to be OsCl4O" +mp-1111353,Li2ScCuF6,-5.451745835,-2.8799063037,0.377785088,0.377785088,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Sc +mp-1207108,BaAlGeH,-3.9766139575,-0.55653779,0.0,-0.07733174,GGA,P3m1,ABCD_hP4_156_a_b_c_a:Al-Ba-Ge-H,4.0,ABCD_hP4_156_a_b_c_a:Al-Ba-Ge-H +mp-644097,BaAlH5,-3.6850391418,-0.4524418568,0.0,-0.0322441091,GGA,Pna2_1,ABC5_oP28_33_a_a_5a:Al-Ba-H,28.0,ABC5_oP28_33_a_a_5a:Al-Ba-H +mp-698114,Ba2AlH7,-3.6651577758,-0.5318969733,0.0,-0.0332755332,GGA,C2/c,AB2C7_mC80_15_f_2f_7f:Al-Ba-H,40.0,AB2C7_mC80_15_f_2f_7f:Al-Ba-H +mp-1193870,Mg(ClO6)2,-4.369756968,-0.0592491077,0.6175724060000001,0.6175724060000001,GGA,P2_1/c,A2BC12_mP30_14_e_a_6e:Cl-Mg-O,30.0,A2BC12_mP30_14_e_a_6e:Cl-Mg-O +mp-1192665,Mg(ClO5)2,-4.0344189227,0.1782149606,0.959162861,0.959162861,GGA,P4_2mc,A2BC10_tP26_105_ab_c_2cdef:Cl-Mg-O,26.0,A2BC10_tP26_105_ab_c_2cdef:Cl-Mg-O +mp-1180478,Mg2ClO7,-4.827980174,-0.8603884001000001,0.5634398249,0.5634398249,GGA,P-1,AB2C7_aP20_2_i_2i_7i:Cl-Mg-O,20.0,AB2C7_aP20_2_i_2i_7i:Cl-Mg-O +mp-754645,MgCl2O,-4.0023487119,-1.4413381916,0.362667597,0.362667597,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:Cl-Mg-O,16.0,"Invalid WP multiplicities - A2BC_mP16_14_3e_e_e:Cl-Mg-O, expected MgCl3O to be MgCl2O" +mp-1222240,Mg3(ClO3)2,-4.7676030264,-1.2968715957,0.5840918993,0.5840918993,GGA,C2/m,A2B3C6_mC22_12_i_ai_3i:Cl-Mg-O,,A2B3C6_mC22_12_i_ai_3i:Cl-Mg-O +mp-1198765,Mg(ClO7)2,-4.3416380791,0.0437145872,0.6409100404,0.6409100404,GGA,Pmn2_1,A2BC14_oP34_31_2a_a_6a4b:Cl-Mg-O,34.0,A2BC14_oP34_31_2a_a_6a4b:Cl-Mg-O +mp-1210988,Mg2ClO3,-5.0991436875,-1.7842832052,0.4139841014,0.4139841014,GGA,P-1,AB2C3_aP12_2_i_2i_3i:Cl-Mg-O,12.0,AB2C3_aP12_2_i_2i_3i:Cl-Mg-O +mp-1237360,Mg2ClO3,-4.8622232117,-1.5473627294,0.6509045772000001,0.6509045772000001,GGA,P-1,AB2C3_aP12_2_i_2i_3i:Cl-Mg-O,12.0,AB2C3_aP12_2_i_2i_3i:Cl-Mg-O +mp-1190570,Mg2ClO3,-5.0317261417,-1.7168656594,0.4814016472,0.4814016472,GGA,Pnma,AB2C3_oP24_62_c_ac_cd:Cl-Mg-O,24.0,AB2C3_oP24_62_c_ac_cd:Cl-Mg-O +mp-1181359,MgCd2(ClO2)6,-3.9827105219,-0.4637798521,0.4747445278,0.4747445278,GGA,Fdd2,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Mg-O,42.0,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Mg-O +mp-1205059,MgCd2(ClO2)6,-3.8533079393,-0.3343772695,0.6041471104,0.6041471104,GGA,Fdd2,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Mg-O,42.0,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Mg-O +mp-1222028,MgClO,-4.6781298567,-1.8796280496,0.3410559093,0.3410559093,GGA,R3m,ABC_hR9_160_a_a_a:Cl-Mg-O,3.0,ABC_hR9_160_a_a_a:Cl-Mg-O +mp-1191657,Mg(ClO4)2,-5.0021077968,-0.9229384277,0.0,-0.1192772141,GGA,P2_1/c,A2BC8_mP22_14_e_a_4e:Cl-Mg-O,22.0,A2BC8_mP22_14_e_a_4e:Cl-Mg-O +mp-1078615,Mg(ClO3)2,-4.0031333722,-0.1167460792,0.9180739182,0.9180739182,GGA,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Mg-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Mg-O +mp-1180396,Mg(ClO3)2,-4.3273459211,-0.4409586281,0.5938613693,0.5938613693,GGA,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Mg-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Mg-O +mp-1181146,Mg2Cd(ClO2)6,-3.8829651812,-0.331777831,0.7689296625,0.7689296625,GGA,Cc,AB6C2D12_mC84_9_a_6a_2a_12a:Cd-Cl-Mg-O,42.0,"Invalid WP multiplicities - AB6C2D12_mC84_9_a_12a_2a_24a:Cd-Cl-Mg-O, expected Mg2Cd(ClO2)12 to be Mg2Cd(ClO2)6" +mp-1198304,Mg2Cd(ClO2)6,-4.0101258517,-0.4589385014,0.641768992,0.641768992,GGA,Cc,AB6C2D12_mC84_9_a_6a_2a_12a:Cd-Cl-Mg-O,42.0,"Invalid WP multiplicities - AB6C2D12_mC84_9_a_12a_2a_24a:Cd-Cl-Mg-O, expected Mg2Cd(ClO2)12 to be Mg2Cd(ClO2)6" +mp-1209517,Pr2RuO5,-8.2464455566,-2.8002383558,0.1265734847,0.1265734847,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Pr-Ru,32.0,A5B2C_oP32_62_5c_2c_c:O-Pr-Ru +mp-20186,PrRuO3,-8.263661768,-2.4845868823,0.0756391043,0.0756391043,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Pr-Ru,20.0,A3BC_oP20_62_cd_c_a:O-Pr-Ru +mp-558974,Pr5(RuO6)2,-8.3818922437,-3.0232818021,0.0,-0.0423345267,GGA,C2/m,A12B5C2_mC38_12_2i2j_a2i_h:O-Pr-Ru,19.0,"Invalid WP multiplicities - A12B5C2_mC38_12_4i6j_a2i_h:O-Pr-Ru, expected Pr5(RuO16)2 to be Pr5(RuO6)2" +mp-5433,Pr3RuO7,-8.3444715177,-3.0495678101,0.0,-0.0069714373,GGA,Cmcm,A7B3C_oC44_63_cgh_ag_b:O-Pr-Ru,22.0,A7B3C_oC44_63_cgh_ag_b:O-Pr-Ru +mp-3430,Pr2Ru2O7,-8.187286865,-2.4838834497,0.04248246,0.04248246,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pr-Ru,22.0,A7B2C2_cF88_227_af_c_d:O-Pr-Ru +mp-554060,Na3Pr14(RuO6)6,-8.0324756508,-2.869298273,0.0250741517,0.0250741517,GGA,R-3c,A3B36C14D6_hR354_167_ac_6f_c2f_bce:Na-O-Pr-Ru,118.0,"Invalid WP multiplicities - A3B36C14D6_hR354_167_2a3c_64f_3c14f_2b4c3e:Na-O-Pr-Ru, expected Na8Pr90Ru19O384 to be Na3Pr14(RuO6)6" +mp-542512,NaPr2RuO6,-7.700680899,-2.7167937379,0.0,-0.0098255603,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Na-O-Pr-Ru,20.0,AB6C2D_mP20_14_a_3e_e_b:Na-O-Pr-Ru +mp-1189528,Ca2ScSbO6,-7.543545453,-3.1282652157,0.0,-0.0456626402,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Sb-Sc,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Sb-Sc +mp-1221792,MnCd2TeO6,-6.0479932087,-1.6648699115,0.0,-0.0086388797,GGA+U,P1,A2BC6D_aP20_1_4a_2a_12a_2a:Cd-Mn-O-Te,40.0,"Invalid WP multiplicities - A2BC6D_aP20_1_4a_4a_12a_2a:Cd-Mn-O-Te, expected Mn2Cd2TeO6 to be MnCd2TeO6" +mp-1221836,Mn3Cd3(TeO6)2,-6.5212926787,-1.7262131049,0.0026933176,0.0026933176,GGA+U,R3,A3B3C12D2_hR60_146_b_b_4b_2a:Cd-Mn-O-Te,40.0,A3B3C12D2_hR60_146_b_b_4b_2a:Cd-Mn-O-Te +mp-1221914,Mn2CdTeO6,-6.993874817,-1.7868389665,0.0061039669,0.0061039669,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Cd-Mn-O-Te,20.0,AB2C6D_aP20_1_2a_4a_12a_2a:Cd-Mn-O-Te +mp-556239,Cs5Nb2S4Br9,-4.470257051,-1.7101232321,0.0,-0.014089095,GGA,Immm,A9B5C2D4_oI40_71_aln_bl_g_m:Br-Cs-Nb-S,20.0,"Invalid WP multiplicities - A9B5C2D4_oI40_71_a3l3n_b2l_g_m:Br-Cs-Nb-S, expected Cs9Nb2S4Br25 to be Cs5Nb2S4Br9" +mp-573274,CsNb3SBr7,-5.391610065,-1.5410295926000002,0.0,-0.0122321361,GGA,P2_1/c,A7BC3D_mP48_14_7e_e_3e_e:Br-Cs-Nb-S,48.0,"Invalid WP multiplicities - A7BC3D_mP48_14_26e_e_9e_e:Br-Cs-Nb-S, expected CsNb9SBr26 to be CsNb3SBr7" +mp-1213734,Cs3Nb6SBr17,-5.0499824163,-1.5747243114,0.0,-0.0178094702,GGA,C2/c,A17B3C6D_mC108_15_e8f_ef_3f_e:Br-Cs-Nb-S,54.0,A17B3C6D_mC108_15_e8f_ef_3f_e:Br-Cs-Nb-S +mp-1223970,Ho4MnS7,-6.78666266,-2.0827626733,0.0262435251,0.0262435251,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Ho-Mn-S,12.0,A4BC7_mC24_8_4a_a_7a:Ho-Mn-S +mp-1224110,Ho6Mn(GeS7)2,-6.3041419165,-1.7905409444,0.0015927337,0.0015927337,GGA,P3,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-Ho-Mn-S,23.0,A2B6CD14_hP23_143_ab_2d_c_ab4d:Ge-Ho-Mn-S +mp-571397,Cs3Tb10C4Cl21,-5.5544378786,-2.2711799852,0.0,-0.0730164858,GGA,C2/c,A4B21C3D10_mC152_15_2f_a10f_ef_5f:C-Cl-Cs-Tb,76.0,"Invalid WP multiplicities - A4B21C3D10_mC152_15_3f_2c39f_ef_18f:C-Cl-Cs-Tb, expected Cs3Tb36(C3Cl40)2 to be Cs3Tb10C4Cl21" +mp-972507,Yb2Co2O5,-6.9084959411,-2.238574196,0.0835145614,0.0835145614,GGA+U,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Co-O-Yb,,A2B5C2_tP9_123_h_ci_ab:Co-O-Yb +mp-1207774,Yb3CoO6,-6.5439694605,-2.4032419702,0.1391726121,0.1391726121,GGA+U,Ia-3,AB6C3_cI80_206_a_e_d:Co-O-Yb,,AB6C3_cI80_206_a_e_d:Co-O-Yb +mp-687081,YbCoO3,-6.8781482910000005,-2.1805498492,0.0,-0.079421893,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Yb,,"Invalid WP multiplicities - AB3C_oP20_62_a_4c5d_c:Co-O-Yb, expected YbCoO14 to be YbCoO3" +mp-1204758,Yb2Mn2Co15,-6.5963541079,0.1419624221,0.170219089,0.170219089,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Co-Mn-Yb,,A15B2C2_hP38_194_gjk_f_bc:Co-Mn-Yb +mp-1215956,Yb2MnCoO6,-7.306536128,-2.4035679365,0.0384948615,0.0384948615,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Co-Mn-O-Yb,,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_5e_e:Co-Mn-O-Yb, expected Yb2MnCoO10 to be Yb2MnCoO6" +mp-2240153,MgCrPbO3,-6.94195727,-1.974283816,0.3161491991,0.3161491991,GGA+U,Cm,ABC3D_mC12_8_a_a_ab_a:Cr-Mg-O-Pb,6.0,ABC3D_mC12_8_a_a_ab_a:Cr-Mg-O-Pb +mp-2210640,MgCrPbO3,-6.54915627,-1.581482816,0.7089501991,0.7089501991,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Cr-Mg-O-Pb,6.0,ABC3D_tP6_123_b_d_ae_c:Cr-Mg-O-Pb +mp-2216853,MgCr4(PbO4)4,-7.1327677592,-1.7643646556,0.1133720616,0.1133720616,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb +mp-2216866,MgCr4(PbO4)4,-7.1617388992,-1.7933357956,0.0844009216,0.0844009216,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb +mp-2220692,MgCr4(PbO4)4,-7.147826274,-1.7794231704,0.0983135468,0.0983135468,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-Pb +mp-2216821,MgCr4(PbO4)4,-7.1551448944,-1.7867417908,0.0909949264,0.0909949264,GGA+U,P-1,A4BC16D4_aP25_2_2i_a_8i_2i:Cr-Mg-O-Pb,25.0,"Invalid WP multiplicities - A4BC16D4_aP25_2_3i_a_16i_4i:Cr-Mg-O-Pb, expected MgCr6(PbO4)8 to be MgCr4(PbO4)4" +mp-2230683,MgGe4(BiO6)2,-6.5958259884,-2.0098452376,0.1271063039,0.1271063039,GGA,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Bi-Ge-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Bi-Ge-Mg-O +mp-2231326,MgGe4(BiO6)2,-6.5845791195,-1.9985983687,0.1383531729,0.1383531729,GGA,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Bi-Ge-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Bi-Ge-Mg-O +mp-2231163,MgGe4(BiO6)2,-6.6308895605,-2.0449088097,0.0920427318,0.0920427318,GGA,C2,A2B4CD12_mC38_5_ab_2c_a_6c:Bi-Ge-Mg-O,19.0,A2B4CD12_mC38_5_ab_2c_a_6c:Bi-Ge-Mg-O +mp-2229983,MgGe4(BiO6)2,-6.5750092616,-1.9890285108,0.1479230308,0.1479230308,GGA,C2,A2B4CD12_mC38_5_ab_2c_a_6c:Bi-Ge-Mg-O,19.0,A2B4CD12_mC38_5_ab_2c_a_6c:Bi-Ge-Mg-O +mp-1333536,Mg3Ge3(BiO6)2,-6.4310097630000005,-2.1454514375,0.2101877212,0.2101877212,GGA,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Bi-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Bi-Ge-Mg-O +mp-1191594,La3FeNiS7,-6.5756033479,-1.7411593252,0.1210933645,0.1210933645,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Fe-La-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Fe-La-Ni-S +mp-12016,Rb2SiS3,-4.6758863258000005,-1.3765970299,0.0,-0.2904109417,GGA,C2/m,A2B3C_mC24_12_2i_g2i_i:Rb-S-Si,12.0,A2B3C_mC24_12_2i_g2i_i:Rb-S-Si +mp-607479,RbEuSiS4,-6.2849193054,-1.5408259668,0.0,-0.0089120009,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Eu-Rb-S-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_15a_a:Eu-Rb-S-Si, expected RbEuSiS15 to be RbEuSiS4" +mp-1206782,La2Co2Si,-6.156560012,-0.253766446,0.1833617301,0.1833617301,GGA,P2/m,A2B2C_mP5_10_m_n_a:Co-La-Si,5.0,A2B2C_mP5_10_m_n_a:Co-La-Si +mp-1068559,LaCoSi3,-6.305543832,-0.641488034,0.0,-0.0390837925,GGA,I4mm,ABC3_tI10_107_a_a_ab:Co-La-Si,5.0,ABC3_tI10_107_a_a_ab:Co-La-Si +mp-1206651,LaCoSi2,-6.4205599775,-0.6968197375,0.0,-0.0172016388,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-La-Si,8.0,ABC2_oC16_63_c_c_2c:Co-La-Si +mp-1211348,LaCo8Si5,-6.8398380954,-0.4877566943,0.0422052448,0.0422052448,GGA,I4/mcm,A8BC5_tI56_140_kl_a_dl:Co-La-Si,28.0,A8BC5_tI56_140_kl_a_dl:Co-La-Si +mp-1223336,La2CoSi3,-6.1326700883,-0.5899557392,0.1130297192,0.1130297192,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Co-La-Si,6.0,AB2C3_hP6_187_a_i_bcd:Co-La-Si +mp-568056,LaCo9Si4,-6.9323399293,-0.4600442593,0.0,-0.0229900329,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Co-La-Si,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_2d4k4l_a_l:Co-La-Si, expected La(Co17Si2)2 to be LaCo9Si4" +mp-1018740,LaCoSi,-6.4891232500000005,-0.66590894,0.0,-0.07205398,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-La-Si,6.0,ABC_tP6_129_a_c_c:Co-La-Si +mp-1223187,La6Co(SiS7)2,-6.5484810626000005,-1.9621639052,0.0145436935,0.0145436935,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Co-La-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Co-La-S-Si +mp-1211587,La3CoSiS7,-6.5561617171,-1.8647611997,0.0431797066,0.0431797066,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Co-La-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Co-La-S-Si +mp-5526,La(CoSi)2,-6.704124394,-0.703468643,0.0,-0.0717654315,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-La-Si,5.0,A2BC2_tI10_139_d_a_e:Co-La-Si +mp-774745,Li3CuS3,-4.2211208096,-1.0446458281,0.0783841735,0.0783841735,GGA,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Cu-Li-S,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Cu-Li-S, expected Li8CuS7 to be Li3CuS3" +mp-774762,Li2Cu2S3,-4.3076129714,-0.8182403037,0.0806534195,0.0806534195,GGA,C2/c,A2B2C3_mC56_15_2f_2ef_3f:Cu-Li-S,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_7f_3e2f_11f:Cu-Li-S, expected Li7(Cu7S11)2 to be Li2Cu2S3" +mp-753722,LiCuS2,-4.3426929825,-0.7724356649,0.0650399104,0.0650399104,GGA,C2/m,ABC2_mC8_12_a_c_i:Cu-Li-S,4.0,ABC2_mC8_12_a_c_i:Cu-Li-S +mp-766486,LiCuS2,-4.3419509913,-0.7716936736000001,0.0657819017,0.0657819017,GGA,Pnnm,ABC2_oP8_58_a_c_g:Cu-Li-S,8.0,ABC2_oP8_58_a_c_g:Cu-Li-S +mp-752881,Li2CuS2,-4.231129302,-0.9931388746,0.0872175027,0.0872175027,GGA,C2/m,AB2C2_mC10_12_a_i_i:Cu-Li-S,5.0,AB2C2_mC10_12_a_i_i:Cu-Li-S +mp-754086,Li2CuS2,-4.224966401,-0.9869759736,0.0933804037,0.0933804037,GGA,Amm2,AB2C2_oC20_38_c_f_2ae:Cu-Li-S,10.0,AB2C2_tP10_132_b_e_i:Cu-Li-S +mp-884085,Li2CuS2,-4.225205425,-0.9872149976,0.0931413797,0.0931413797,GGA,P4_2/mcm,AB2C2_tP10_132_b_e_i:Cu-Li-S,10.0,AB2C2_tP10_132_b_e_i:Cu-Li-S +mp-1178012,Li2CuS2,-4.224647039,-0.9866566116,0.0936997657,0.0936997657,GGA,P4_2/nmc,AB2C2_tP20_137_d_f_g:Cu-Li-S,20.0,AB2C2_tP20_137_d_f_g:Cu-Li-S +mp-756163,Li2Cu4S3,-4.2965078283,-0.6716164934000001,0.0361552,0.0361552,GGA,C2,A4B2C3_mC36_5_4c_2c_3c:Cu-Li-S,18.0,"Invalid WP multiplicities - A4B2C3_mC36_12_7i_3i_5i:Cu-Li-S, expected Li3Cu7S5 to be Li2Cu4S3" +mp-1178005,Li2Cu4S3,-4.2968834817,-0.6719921468000001,0.0357795467,0.0357795467,GGA,C2/m,A4B2C3_mC36_12_4i_2i_3i:Cu-Li-S,18.0,"Invalid WP multiplicities - A4B2C3_mC36_12_7i_3i_5i:Cu-Li-S, expected Li3Cu7S5 to be Li2Cu4S3" +mp-753623,Li2Cu4S3,-4.2556117672,-0.6307204323000001,0.0770512611,0.0770512611,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:Cu-Li-S,18.0,"Invalid WP multiplicities - A4B2C3_mC36_15_3f_f_e2f:Cu-Li-S, expected Li2Cu6S5 to be Li2Cu4S3" +mp-766447,Li2Cu4S3,-4.2534982197,-0.6286068848,0.0791648086,0.0791648086,GGA,Pnma,A4B2C3_oP36_62_2cd_ac_cd:Cu-Li-S,36.0,"Invalid WP multiplicities - A4B2C3_oP36_62_6c3d_2a2c_3c2d:Cu-Li-S, expected Li4Cu12S7 to be Li2Cu4S3" +mp-766453,Li2Cu4S3,-4.2560759364,-0.6311846015,0.076587092,0.076587092,GGA,Pnma,A4B2C3_oP36_62_4c_2c_3c:Cu-Li-S,36.0,"Invalid WP multiplicities - A4B2C3_oP36_62_13c_5c_9c:Cu-Li-S, expected Li5Cu13S9 to be Li2Cu4S3" +mp-766521,Li10Cu4S9,-4.2057356702,-1.0442528812,0.0913312604,0.0913312604,GGA,P4_2/nmc,A4B10C9_tP46_137_g_dh_afg:Cu-Li-S,46.0,"Invalid WP multiplicities - A4B10C9_tP46_137_g_2d3h_2a3f4g:Cu-Li-S, expected Li14Cu2S15 to be Li10Cu4S9" +mp-753748,Li3CuS2,-4.1715470104,-1.1550678431,0.0559124396,0.0492672037,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:Cu-Li-S,24.0,"Invalid WP multiplicities - AB3C2_mP24_14_e_11e_3e:Cu-Li-S, expected Li11CuS3 to be Li3CuS2" +mp-753737,Li3CuS2,-4.1854216592,-1.1689424919,0.0420377908,0.035392555,GGA,Pbcn,AB3C2_oP24_60_c_cd_d:Cu-Li-S,24.0,"Invalid WP multiplicities - AB3C2_oP24_60_c_2c2d_d:Cu-Li-S, expected Li6CuS2 to be Li3CuS2" +mp-1177695,Li3CuS2,-4.22745945,-1.2109802827,0.0,-0.0066452358,GGA,Ibam,AB3C2_oI24_72_c_bf_j:Cu-Li-S,12.0,"Invalid WP multiplicities - AB3C2_oI24_72_c_b2f_j:Cu-Li-S, expected Li5CuS2 to be Li3CuS2" +mp-753741,Li3CuS2,-4.1588311879,-1.1423520206,0.0686282621,0.0619830262,GGA,I4_1/amd,AB3C2_tI48_141_e_cg_h:Cu-Li-S,24.0,"Invalid WP multiplicities - AB3C2_tI48_141_e_2c3g_h:Cu-Li-S, expected Li8CuS2 to be Li3CuS2" +mp-861228,Li3CuS2,-4.1710542175,-1.1545750502,0.0564052325,0.0497599967,GGA,R-3c,AB3C2_hR36_167_b_e_c:Cu-Li-S,12.0,AB3C2_hR36_167_b_e_c:Cu-Li-S +mp-766506,Li3CuS2,-4.2090118035,-1.1925326362,0.0184476465,0.0118024106,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Cu-Li-S,48.0,"Invalid WP multiplicities - AB3C2_cI96_206_c_e_2a3d:Cu-Li-S, expected Li6Cu2S11 to be Li3CuS2" +mp-753714,Li3CuS2,-4.1516601117,-1.1351809444,0.0757993383,0.0691541025,GGA,I4_132,AB3C2_cI48_214_a_f_e:Cu-Li-S,24.0,AB3C2_cI48_214_a_f_e:Cu-Li-S +mp-766483,Li7(Cu6S5)2,-4.3181275155,-0.7347675577,0.0182324806,0.0182324806,GGA,P2/m,A12B7C10_mP58_10_6m6n_ad2m4n_5m5n:Cu-Li-S,58.0,"Invalid WP multiplicities - A12B7C10_mP58_10_11m12n_cd4m8n_9m10n:Cu-Li-S, expected Li13Cu23S19 to be Li7(Cu6S5)2" +mp-867701,Li6CuS4,-4.1407930591,-1.2227436648,0.0885651812,0.0885651812,GGA,Imm2,AB6C4_oI22_44_a_3c_abc:Cu-Li-S,11.0,"Invalid WP multiplicities - AB6C4_oI22_44_a_5c_abc:Cu-Li-S, expected Li10CuS4 to be Li6CuS4" +mp-757177,Li6CuS4,-4.1579043132,-1.2398549189,0.0714539271,0.0714539271,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cu-Li-S,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Cu-Li-S, expected Li16CuS4 to be Li6CuS4" +mp-774736,LiCuS,-4.2853628825,-0.9038364147,0.0052187145,0.0052187145,GGA,Cc,ABC_mC24_9_2a_2a_2a:Cu-Li-S,12.0,ABC_oF48_70_c_e_f:Cu-Li-S +mp-861189,LiCuS,-4.2121813717,-0.8306549038000001,0.0784002253,0.0784002253,GGA,Pmn2_1,ABC_oP6_31_a_a_a:Cu-Li-S,6.0,ABC_oP6_31_a_a_a:Cu-Li-S +mp-2724538,LiCuS,-4.2605114367,-0.8789849688,0.0300701603,0.0300701603,GGA,Pmn2_1,ABC_oP6_31_a_a_a:Cu-Li-S,6.0,ABC_oP6_31_a_a_a:Cu-Li-S +mp-1407369,LiCuS,-4.286427325,-0.9049008572,0.004154272,0.004154272,GGA,Fdd2,ABC_oF48_43_b_2a_b:Cu-Li-S,12.0,ABC_oF48_70_c_e_f:Cu-Li-S +mp-766467,LiCuS,-4.2506107739,-0.8690843060000001,0.0399708231,0.0399708231,GGA,Pbcn,ABC_oP72_60_3d_3d_3d:Cu-Li-S,72.0,ABC_oP72_60_9d_9d_9d:Cu-Li-S +mp-766480,LiCuS,-4.2178360546,-0.8363095867,0.0727455424,0.0727455424,GGA,Pbcn,ABC_oP72_60_3d_3d_3d:Cu-Li-S,72.0,ABC_oP72_60_9d_9d_9d:Cu-Li-S +mp-753826,LiCuS,-4.264513735,-0.8829872672,0.026067862,0.026067862,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Li-S,12.0,ABC_oP12_62_c_c_c:Cu-Li-S +mp-753508,LiCuS,-4.2350480967,-0.8535216288,0.0555335003,0.0555335003,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Li-S,12.0,ABC_oP12_62_c_c_c:Cu-Li-S +mp-753605,LiCuS,-4.2668838208,-0.8853573530000001,0.0236977762,0.0236977762,GGA,Pnma,ABC_oP12_62_a_c_c:Cu-Li-S,12.0,ABC_oP12_62_a_c_c:Cu-Li-S +mp-853967,LiCuS,-4.28503086,-0.9035043922,0.005550737,0.005550737,GGA,Fddd,ABC_oF48_70_c_e_f:Cu-Li-S,12.0,ABC_oF48_70_c_e_f:Cu-Li-S +mp-2468774,LiCuS,-4.266157995,-0.8846315272,0.024423602,0.024423602,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cu-Li-S,12.0,ABC_tP6_129_a_c_c:Cu-Li-S +mp-753371,LiCuS,-4.24201144,-0.8604849722000001,0.048570157,0.048570157,GGA,I4/mmm,ABC_tI24_139_h_i_j:Cu-Li-S,12.0,ABC_tI24_139_h_i_j:Cu-Li-S +mp-774712,LiCuS,-4.2358220783,-0.8542956105,0.0547595187,0.0547595187,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Li-S,6.0,ABC_hP6_194_c_a_d:Cu-Li-S +mp-774459,Li8Ti16CuS32,-6.4959350018,-1.6176041665,0.0320277665,0.0320277665,GGA,P1,AB8C32D16_aP57_1_a_8a_32a_16a:Cu-Li-S-Ti,57.0,AB8C32D16_aP57_1_a_8a_32a_16a:Cu-Li-S-Ti +mp-1186812,PuTiO3,-10.71928681,-3.3186075139,0.080421021,0.080421021,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pu-Ti,5.0,A3BC_cP5_221_c_a_b:O-Pu-Ti +mp-1206179,Ba2PuTiO6,-9.017648102,-3.4495068526,0.0255499105,0.0255499105,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pu-Ti +mp-554781,Tb3CuSnS7,-5.9610557475,-1.7138035897,0.0045173057,0.0045173057,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Sn-Tb,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b7c_b_c:Cu-S-Sn-Tb, expected Tb3CuSnS23 to be Tb3CuSnS7" +mp-1114239,Na2LiIrF6,-4.948861936,-2.4627337921,0.0314410886,0.0314410886,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ir-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ir-Li-Na +mp-1111346,NaLi2IrF6,-4.817011824,-2.2722439228,0.2674171666,0.2674171666,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-Li-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-Li-Na +mp-1113104,Cs2NbCuF6,-5.322371238,-2.5763522121,0.34705857,0.34705857,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Nb,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Nb +mp-1110770,Rb2NaNdI6,-3.351809932,-1.6626160349,0.0414918135,0.0414918135,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Na-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Na-Nd-Rb +mp-1113709,Rb2LiNiF6,-4.722838305,-2.6109381553,0.0476573225,0.0476573225,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Ni-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Ni-Rb +mp-1246164,Ba3CoN3,-5.9675428693,-0.5568675279,0.0354794892,0.0354794892,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Co-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Co-N +mp-1246830,BaCoN2,-6.8587826525,-0.4337120063,0.1675096956,0.1675096956,GGA,Cmce,ABC2_oC32_64_f_f_ef:Ba-Co-N,16.0,ABC2_oC32_64_f_f_ef:Ba-Co-N +mp-1247283,Ba3(CoN2)2,-6.2517486367,-0.3273552911,0.276879239,0.276879239,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Co-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Co-N +mp-1246197,Ba3(CoN2)2,-6.2990386794,-0.3746453339,0.2295891962,0.2295891962,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Co-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Co-N +mp-1246415,Ca11(CoN5)2,-5.8667684861,-0.6648909417000001,0.1793099746,0.1793099746,GGA,P4_2/mnm,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Co-N,46.0,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Co-N +mp-1246702,Ca5(CoN3)2,-6.4261609688,-0.7135760042,0.0620144835,0.0620144835,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ca-Co-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ca-Co-N +mp-1400520,Ca2CoN2,-6.344017223,-0.7855157420000001,0.0,-0.0348720987,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ca-Co-N,10.0,A2BC2_mC20_12_2i_i_2i:Ca-Co-N +mp-1029532,Ca2CoN2,-6.33710523,-0.7786037490000001,0.006911993,-0.0279601057,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ca-Co-N,5.0,A2BC2_tI10_139_e_a_e:Ca-Co-N +mp-1356094,Ca2CoN2,-6.176688901,-0.61818742,0.167328322,0.1324562233,GGA,I4/mcm,A2BC2_tI40_140_l_h_l:Ca-Co-N,20.0,A2BC2_tI40_140_l_h_l:Ca-Co-N +mp-1360796,CaCoN2,-6.3764834219,0.0702434594,0.6271231894,0.6271231894,GGA,Pna2_1,ABC2_oP32_33_2a_2a_4a:Ca-Co-N,32.0,"Invalid WP multiplicities - ABC2_oP32_33_5a_6a_12a:Ca-Co-N, expected Ca5(CoN2)6 to be CaCoN2" +mp-1246126,Ca4CoN4,-6.1008740089,-0.7145743406,0.1048505876,0.1048505876,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ca-Co-N,18.0,A4BC4_aP18_2_4i_i_4i:Ca-Co-N +mp-1247530,Ba2CoN2,-6.044397064,-0.520545559,0.0530690743,0.0530690743,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Co-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Co-N +mp-1029457,Ba(CoN)2,-7.07193953,-0.510219454,0.0,-0.058484185,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Co-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Co-N +mp-606338,BaCa4(CoN2)2,-6.0083864641,-0.7807510323,0.0,-0.0172726565,GGA,P4/ncc,AB4C2D4_tP44_130_c_g_f_g:Ba-Ca-Co-N,44.0,AB4C2D4_tP44_130_c_g_f_g:Ba-Ca-Co-N +mp-1246025,Ca5CoN4,-5.6354526,-0.5872229105,0.2722321973,0.2722321973,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Co-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Co-N +mp-1443952,Ca(CoN)2,-6.666721596,-0.087676532,0.357827252,0.357827252,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Ca-Co-N,5.0,AB2C2_tP5_115_a_f_g:Ca-Co-N +mp-1352057,BaCa2(CoN2)2,-6.1851880236,-0.2415446914,0.4620625883,0.4620625883,GGA,Pna2_1,AB2C2D4_oP36_33_a_2a_2a_4a:Ba-Ca-Co-N,36.0,"Invalid WP multiplicities - AB2C2D4_oP36_33_a_3a_5a_14a:Ba-Ca-Co-N, expected BaCa3Co5N14 to be BaCa2(CoN2)2" +mp-569383,Ca5(CoN2)2,-6.0491574693,-0.813647043,0.0,-0.0323242177,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-Co-N,44.0,"Invalid WP multiplicities - A5B2C4_tP44_130_2c2g_f_g:Ca-Co-N, expected Ca5CoN2 to be Ca5(CoN2)2" +mp-1357819,BaCa(CoN2)2,-6.3513667747,0.0845319891,0.6818590128,0.6818590128,GGA,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:Ba-Ca-Co-N,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_14a:Ba-Ca-Co-N, expected BaCaCo5N14 to be BaCa(CoN2)2" +mp-505765,BaCoN,-6.3178349577,-0.5299057377,0.0,-0.0712958727,GGA,Pnma,ABC_oP60_62_c2d_a2d_c2d:Ba-Co-N,60.0,"Invalid WP multiplicities - ABC_oP60_62_3c11d_3a7d_3c12d:Ba-Co-N, expected Ba25Co17N27 to be BaCoN" +mp-1029610,Ca3CoN3,-6.2520613621,-0.8042610464000001,0.0030534581,0.0030534581,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-Co-N,14.0,A3BC3_hP14_176_h_c_h:Ca-Co-N +mp-1246283,Ca7CoN6,-5.8866195282,-0.8032990636,0.0568292737,0.0568292737,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ca-Co-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ca-Co-N +mp-1246509,Ca3Co3N5,-6.8404646727,-0.5655348864,0.0179948586,0.0179948586,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Co-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Co-N +mp-1245810,Ba3Co3N5,-6.6970076427,-0.44570284,0.1360690535,0.1360690535,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Co-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Co-N +mp-1246144,Ba4CoN4,-5.7918117267,-0.4440120317,0.1587418653,0.1587418653,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ba-Co-N,18.0,A4BC4_aP18_2_4i_i_4i:Ba-Co-N +mp-1350358,Ca3(CoN2)2,-6.2300553764,-0.2767870508,0.4071126858,0.4071126858,GGA,Pna2_1,A3B2C4_oP36_33_3a_2a_4a:Ca-Co-N,36.0,"Invalid WP multiplicities - A3B2C4_oP36_33_8a_6a_12a:Ca-Co-N, expected Ca4(CoN2)3 to be Ca3(CoN2)2" +mp-31237,CuAsF7,-4.6623630289,-2.2025099347,0.0,-0.0041788683,GGA,Imma,ABC7_oI36_74_a_c_ehj:As-Cu-F,18.0,"Invalid WP multiplicities - ABC7_oI36_74_a_c_e2hj:As-Cu-F, expected CuAsF9 to be CuAsF7" +mp-1147660,Cu3AsF12,-4.4761020556,-1.9826966791,0.0,-0.0639324302,GGA,Im-3m,AB3C12_cI32_229_a_b_de:As-Cu-F,16.0,"Invalid WP multiplicities - AB3C12_cI32_229_a_b_2de:As-Cu-F, expected Cu3AsF18 to be Cu3AsF12" +mp-1113309,Rb2CuAsF6,-4.616064056,-2.3972373535,0.082191061,0.082191061,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Rb +mp-22530,LaYbO3,-7.5352689755,-3.2721326717,0.1174602222,0.1174602222,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:La-O-Yb,,AB3C_oP20_33_a_3a_a:La-O-Yb +mp-1189511,LaYbO3,-7.5339866865,-3.2708503828,0.1187425112,0.1187425112,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Yb,,AB3C_oP20_62_c_cd_a:La-O-Yb +mp-1207537,YbGaO3,-6.4331603705,-2.5516062832,0.0378486072,0.0378486072,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Yb,,AB3C_oP20_62_a_cd_c:Ga-O-Yb +mp-1187561,YbGaO3,-6.351725282,-2.4701711948,0.1192836957,0.1192836957,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Yb,,AB3C_cP5_221_b_c_a:Ga-O-Yb +mp-1211944,La3Yb2(GaO4)3,-7.3692316501,-3.0526421263,0.0218598093,0.0218598093,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Yb,,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Yb +mp-562499,Yb3Ga5O12,-6.4667272585,-2.5107487841,0.0,-0.0030440125,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Yb,,"Invalid WP multiplicities - A5B12C3_cI160_230_6a6d_h_c:Ga-O-Yb, expected Yb(Ga5O2)2 to be Yb3Ga5O12" +mp-1095829,NaMg2Tl,-0.6786030025,1.0428291325,1.1159878308,1.1159878308,GGA,Immm,A2BC_oI8_71_e_a_b:Mg-Na-Tl,4.0,A2BC_oI8_71_e_a_b:Mg-Na-Tl +mp-865110,NaMgTl2,-2.01256225,-0.1005393408,0.0,-0.0232035263,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Na-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Na-Tl +mp-1198979,K6Na14MgTl18,-1.9071261297,-0.1300593482,0.0,-0.0118237647,GGA,Pm-3,A6BC14D18_cP39_200_f_b_gi_ek:K-Mg-Na-Tl,39.0,A6BC14D18_cP39_200_f_b_gi_ek:K-Mg-Na-Tl +mp-1026380,KNaMg14,-1.4444302881,0.1078725207,0.12881491,0.12881491,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Na, expected KNaMg18 to be KNaMg14" +mp-1026381,KNaMg14,-1.429431335,0.1228714738,0.1438138631,0.1438138631,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Na, expected KNaMg26 to be KNaMg14" +mp-1021304,KNaMg6,-1.3210044675,0.1833211001,0.2012717195,0.2012717195,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Na, expected KNaMg12 to be KNaMg6" +mp-1021346,KNaMg6,-1.3265094631,0.1778161044,0.1957667239,0.1957667239,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:K-Mg-Na, expected KNaMg12 to be KNaMg6" +mp-1191350,Pr2Mn3Cu9P7,-5.7203303605,-0.394909648,0.1307494645,0.1307494645,GGA,P-6,A9B3C7D2_hP21_174_2jk_k_ajk_cf:Cu-Mn-P-Pr,21.0,A9B3C7D2_hP21_174_2jk_k_ajk_cf:Cu-Mn-P-Pr +mp-1210159,Pr(Cu2P)2,-5.0963954393,-0.5243472324,0.0,-0.0688021227,GGA,Pnnm,A4B2C_oP42_58_6g_3g_ag:Cu-P-Pr,42.0,A4B2C_oP42_58_6g_3g_ag:Cu-P-Pr +mp-1112033,K2HgBiCl6,-3.305673611,-1.5600548761000002,0.0750182555,0.0750182555,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Hg-K +mp-18518,Rb2NaMn3F12,-5.9261407761000005,-2.9423970581,0.0,-0.0068183111,GGA+U,P-1,A12B3CD2_aP36_2_12i_acfhi_i_2i:F-Mn-Na-Rb,36.0,A12B3CD2_aP36_2_12i_acfhi_i_2i:F-Mn-Na-Rb +mp-558050,Rb2NaMnF6,-5.380101319,-2.9886530654000003,0.0,-0.022058154,GGA+U,I4/mmm,A6BCD2_tI20_139_eh_a_b_d:F-Mn-Na-Rb,10.0,A6BCD2_tI20_139_eh_a_b_d:F-Mn-Na-Rb +mp-1113676,Rb2NaMnF6,-5.336578642,-2.9451303884,0.043522677,0.021464523,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Mn-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Mn-Na-Rb +mp-675012,Ho2Zr8O19,-9.6697787879,-3.7548302261,0.1071757813,0.1071757813,GGA,P-4m2,A2B19C8_tP29_115_g_abc4e4f_4g:Ho-O-Zr,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:Ho-O-Zr, expected Ho2Zr14O35 to be Ho2Zr8O19" +mp-676881,Ho4Zr3O12,-9.3919386037,-3.9533595561,0.0062286726,-0.0231224957,GGA,P-1,A4B12C3_aP38_2_4i_12i_3i:Ho-O-Zr,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_8i_24i_5i:Ho-O-Zr, expected Ho8Zr5O24 to be Ho4Zr3O12" +mp-1224122,Ho4Zr3O12,-9.3981672763,-3.9595882287,0.0,-0.0293511683,GGA,P-1,A4B12C3_aP19_2_2i_6i_ai:Ho-O-Zr,19.0,"Invalid WP multiplicities - A4B12C3_aP19_2_4i_12i_ai:Ho-O-Zr, expected Ho8Zr3O24 to be Ho4Zr3O12" +mp-1220088,NdHoZr2O7,-9.4037521673,-3.8516813908,0.0398010637,0.0398010637,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Ho-Nd-O-Zr,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:Ho-Nd-O-Zr, expected NdHoZr2O13 to be NdHoZr2O7" +mp-770289,Ho2Zr2O7,-9.4021158293,-3.8669303767,0.0728684505,0.0728684505,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Ho-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Ho-O-Zr, expected Ho7Zr7O27 to be Ho2Zr2O7" +mp-675300,Ho2Zr2O7,-9.3120931764,-3.7769077237,0.1628911034,0.1628911034,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Ho-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2af_6e4j_cf:Ho-O-Zr, expected Ho3Zr2O14 to be Ho2Zr2O7" +mp-756066,Ho2Zr2O7,-9.3995138468,-3.8643283942,0.075470433,0.075470433,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_a2f_d:Ho-O-Zr, expected Ho2Zr2O13 to be Ho2Zr2O7" +mp-1220266,Nd3HoZr4O14,-9.4076409995,-3.8471275611,0.0201967071,0.0201967071,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Ho-Nd-O-Zr,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c9h_be:Ho-Nd-O-Zr, expected Nd3HoZr4O56 to be Nd3HoZr4O14" +mp-865912,LiZn2Rh,-3.363201645,-0.4150221558,0.0,-0.113496125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Rh-Zn +mp-15637,ZnRhF6,-4.6193645713,-2.1077489106,0.0,-0.041909153,GGA,R-3,A6BC_hR24_148_f_a_b:F-Rh-Zn,8.0,A6BC_hR24_148_f_a_b:F-Rh-Zn +mp-1207767,Zn3RhF6,-3.727788112,-1.4665468615,0.8761538090000001,0.8761538090000001,GGA,P-1,A6BC3_aP10_2_3i_a_bce:F-Rh-Zn,10.0,A6BC3_aP10_2_3i_a_bce:F-Rh-Zn +mp-1237236,Zn3RhF6,-3.940895309,-1.6796540585000002,0.663046612,0.663046612,GGA,P-1,A6BC3_aP10_2_3i_d_abe:F-Rh-Zn,10.0,A6BC3_aP10_2_3i_d_abe:F-Rh-Zn +mp-1222336,LiZnRhF6,-4.8570795056,-2.4124297109,0.0,-0.0246341372,GGA,P4_2nm,A6BCD_tP18_102_3c_a_a_a:F-Li-Rh-Zn,18.0,A6BCD_tP18_102_3c_a_a_a:F-Li-Rh-Zn +mp-549695,GdBi2ClO4,-7.8708535425,-2.4468045419,0.0,-0.0600400064,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Gd-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Gd-O +mp-1191568,La3BeSbS7,-6.10188067,-1.7992486293,0.0986727285,0.0986727285,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Sb,24.0,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-Sb +mp-1194158,ErMoBrO4,-7.8563872243,-2.605936925,0.0,-0.017044906,GGA+U,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Br-Er-Mo-O,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Br-Er-Mo-O +mp-1212779,Er2Br2O,-4.811644392,-1.3740077938,0.6559758870000001,0.6559758870000001,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Er-O,5.0,A2B2C_tP5_123_g_g_a:Br-Er-O +mp-1206859,ErBrO,-7.0724514183,-3.3833061346,0.0,-1.12002894,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Er-O,6.0,ABC_tP6_129_c_c_a:Br-Er-O +mp-1209952,Pr3CrS6,-6.890100641,-2.0086542474,0.006620139,0.006620139,GGA,Pnnm,AB3C6_oP40_58_ac_3g_6g:Cr-Pr-S,40.0,AB3C6_oP40_58_ac_3g_6g:Cr-Pr-S +mp-1191063,Pr3BeCrS7,-6.5933883725,-1.8691944835,0.0282352092,0.0282352092,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Pr-S +mp-1025231,Pr2CrS4,-6.8620787029,-1.7534132104,0.165895729,0.165895729,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Cr-Pr-S,7.0,AB2C4_mC14_12_a_i_2i:Cr-Pr-S +mp-1192332,Pr4CrS7,-6.6933887342,-1.882403771,0.2187419057,0.2187419057,GGA,P6_3,AB4C7_hP24_173_b_ac_b2c:Cr-Pr-S,24.0,AB4C7_hP24_173_b_ac_b2c:Cr-Pr-S +mp-1210258,Pr4CrS7,-6.7744390275,-1.9634540643,0.1376916124,0.1376916124,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Cr-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Cr-Pr-S +mp-19181,BaHo2NiO5,-7.7602149111,-3.1382845871,0.010097635,0.010097635,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Ho-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Ho-Ni-O +mp-8291,BaTiF6,-6.6370095312,-3.976591936,0.0,-0.11004509,GGA,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Ti,8.0,AB6C_hR24_166_a_h_b:Ba-F-Ti +mp-1407835,TiZnF4,-5.563428725,-2.7632368089,0.3461579478,0.3461579478,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-Ti-Zn,6.0,A4BC_tP6_123_i_a_d:F-Ti-Zn +mp-1215038,Ba3TiF12,-5.64501609,-3.3581308121,0.1970444969,0.1970444969,GGA,C2/m,A3B12C_mC32_12_ce_3j_a:Ba-F-Ti,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_d:Ba-F-Ti, expected Ba3TiF40 to be Ba3TiF12" +mp-1403065,TiZnF6,-5.9028274662,-3.3248137873,0.0,-0.043635705,GGA,R-3,A6BC_hR24_148_f_a_b:F-Ti-Zn,8.0,A6BC_hR24_148_f_a_b:F-Ti-Zn +mp-1041319,BaTiZnF7,-5.9343526025,-3.4888962686,0.082827392,0.082827392,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Ti-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Ti-Zn, expected BaTiZnF23 to be BaTiZnF7" +mp-1044618,Ba2Ti2F11,-6.552297446,-3.8419506089,0.0907150907,0.0907150907,GGA,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Ti,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Ti, expected Ba5Ti5F31 to be Ba2Ti2F11" +mp-1372790,TiZnF5,-5.8067562457,-3.1335233223,0.0989680233,0.0989680233,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Ti-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Ti-Zn +mp-1412039,TiZnF5,-5.8192377536,-3.1460048301,0.0864865155,0.0864865155,GGA,C2/c,A5BC_mC28_15_e2f_a_e:F-Ti-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_c_e:F-Ti-Zn, expected TiZnF7 to be TiZnF5" +mp-1037787,CaHfMg30O32,-6.3958511189,-2.9854569131,0.0811621055,0.0811621055,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Hf-Mg-O, expected CaHfMg110O72 to be CaHfMg30O32" +mp-1037784,CaHfMg30O32,-6.3974169594,-2.9870227536,0.079596265,0.079596265,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Hf-Mg-O, expected CaHfMg90O80 to be CaHfMg30O32" +mp-1031754,CaHfMg6O8,-6.6771639206,-2.8560402394,0.248314937,0.248314937,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Hf-Mg-O, expected CaHfMg6O12 to be CaHfMg6O8" +mp-1031755,CaHfMg6O8,-6.6336274456,-2.8125037644,0.291851412,0.291851412,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Hf-Mg-O, expected CaHfMg6O12 to be CaHfMg6O8" +mp-1036329,CaHfMg14O16,-6.4726411275,-2.9253370966,0.1538606413,0.1538606413,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Hf-Mg-O, expected CaHfMg18O20 to be CaHfMg14O16" +mp-1036307,CaHfMg14O16,-6.4723375991,-2.9250335681,0.1541641698,0.1541641698,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Hf-Mg-O, expected CaHfMg30O32 to be CaHfMg14O16" +mp-1028145,CaHfMg14,-2.0829759994,0.0649433513,0.1033299649,0.1033299649,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Hf-Mg, expected CaHfMg18 to be CaHfMg14" +mp-1028125,CaHfMg14,-2.0863834931,0.0615358575,0.0999224711,0.0999224711,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Hf-Mg, expected CaHfMg26 to be CaHfMg14" +mp-1023224,CaHfMg6,-2.6203989494,0.0751597019,0.1272846347,0.1272846347,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Hf-Mg, expected CaHfMg12 to be CaHfMg6" +mp-1023227,CaHfMg6,-2.6299890425,0.0655696087,0.1176945416,0.1176945416,GGA,P4/mmm,ABC6_tP8_123_a_c_fk:Ca-Hf-Mg,8.0,ABC6_tP8_123_a_c_fk:Ca-Hf-Mg +mp-1213776,Cs3Re6(S4Cl3)2,-6.6058319076,-1.3216497719,0.0137536791,0.0137536791,GGA,P2_1/c,A6B3C6D8_mP46_14_3e_ae_3e_4e:Cl-Cs-Re-S,46.0,A6B3C6D8_mP46_14_3e_ae_3e_4e:Cl-Cs-Re-S +mp-1228296,Cs5Re6S8Cl7,-6.2950379488,-1.4805944671,0.0,-0.0367945167,GGA,R3c,A7B5C6D8_hR156_161_a2b_2ab_2b_2a2b:Cl-Cs-Re-S,52.0,A7B5C6D8_hR156_161_a2b_2ab_2b_2a2b:Cl-Cs-Re-S +mp-1227999,Cs3Re6(SCl)7,-6.5426782309,-1.3579705824,0.0,-0.0205982612,GGA,P2_1,A7B3C6D7_mP46_4_7a_3a_6a_7a:Cl-Cs-Re-S,46.0,A7B3C6D7_mP46_4_7a_3a_6a_7a:Cl-Cs-Re-S +mp-5913,Pr2Si2O7,-8.61291426,-3.6093443919,0.0,-0.1286632401,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Pr-Si,44.0,A7B2C2_mP44_14_7e_2e_2e:O-Pr-Si +mp-3160,Pr2Si2O7,-8.6047745365,-3.6012046684,0.0081397235,-0.1205235166,GGA,P4_1,A7B2C2_tP88_76_14a_4a_4a:O-Pr-Si,88.0,"Invalid WP multiplicities - A7B2C2_tP88_76_17a_4a_4a:O-Pr-Si, expected Pr4Si4O17 to be Pr2Si2O7" +mp-756013,PrSiO4,-8.19919601,-3.2003662383,0.1081994543,0.1081994543,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-Pr-Si,12.0,A4BC_tI24_141_h_a_b:O-Pr-Si +mp-1209689,Pr5Si3O13,-8.5605813129,-3.5849891171,0.0161868512,0.0161868512,GGA,P6_3/m,A13B5C3_hP42_176_a2hi_fh_h:O-Pr-Si,42.0,A13B5C3_hP42_176_a2hi_fh_h:O-Pr-Si +mp-541996,Pr2SiTeO4,-8.0025192572,-3.2628704724,0.0061803431,-0.0106171176,GGA,P2_1/c,A4B2CD_mP32_14_4e_2e_e_e:O-Pr-Si-Te,32.0,A4B2CD_mP32_14_4e_2e_e_e:O-Pr-Si-Te +mp-17750,Pr2SiTeO4,-8.0086996003,-3.2690508155,0.0,-0.0167974607,GGA,Pbcm,A4B2CD_oP32_57_2e_cd_c_d:O-Pr-Si-Te,32.0,A4B2CD_oP32_57_2e_cd_c_d:O-Pr-Si-Te +mp-1214502,Ba3Nb2CdO9,-7.7828219667,-3.0226470959,0.0,-0.0146013047,GGA,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Cd-Nb-O,15.0,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Cd-Nb-O +mp-781861,Nb2CdO6,-8.3625330675,-2.7174628333,0.0,-0.0299670368,GGA,Pbcn,AB2C6_oP36_60_c_d_3d:Cd-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_9d:Cd-Nb-O, expected Nb2CdO18 to be Nb2CdO6" +mp-773090,Nb6CdO16,-8.9778895685,-2.8614661172,0.0493496343,0.0493496343,GGA,Pmc2_1,AB6C16_oP92_26_ab_6c_6a6b10c:Cd-Nb-O,92.0,"Invalid WP multiplicities - AB6C16_oP92_26_2a2b_13c_12a12b22c:Cd-Nb-O, expected Nb13Cd2O34 to be Nb6CdO16" +mp-560530,Nb2Cd2O7,-7.6185760477,-2.4662841769,0.005339543,0.005339543,GGA,Ima2,A2B2C7_oI44_46_ab_ab_3b2c:Cd-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_oI44_46_a2b_a2b_6b7c:Cd-Nb-O, expected Nb3Cd3O20 to be Nb2Cd2O7" +mp-647999,Nb2Cd2O7,-7.3471883527,-2.1948964819,0.276727238,0.276727238,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Cd-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_d_c_2a3f:Cd-Nb-O, expected NbCdO10 to be Nb2Cd2O7" +mp-5472,Nb2Cd2O7,-7.6141849736,-2.4618931028,0.009730617,0.009730617,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Cd-Nb-O,22.0,A2B2C7_cF88_227_c_d_af:Cd-Nb-O +mp-1212395,Mn2Cd3(GeO4)3,-6.5935524287,-1.8774500305,0.0266622815,0.0266622815,GGA+U,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Cd-Ge-Mn-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Cd-Ge-Mn-O +mp-1219658,Rb8Nd(AsS4)4,-4.4312413366,-1.0715140434,0.0,-0.0372332479,GGA,I222,A4BC8D16_oI58_23_k_a_efk_4k:As-Nd-Rb-S,29.0,A4BC8D16_oI58_23_k_a_efk_4k:As-Nd-Rb-S +mp-1101764,NdAsS,-6.2528709942,-1.731632426,0.0,-0.085839565,GGA,Pnma,ABC_oP12_62_c_c_c:As-Nd-S,12.0,ABC_oP12_62_c_c_c:As-Nd-S +mp-9363,RbNdS2,-5.573353345,-2.0679580353,0.0,-0.1568548022,GGA,R-3m,ABC2_hR12_166_a_b_c:Nd-Rb-S,4.0,ABC2_hR12_166_a_b_c:Nd-Rb-S +mp-1228964,AlAg(PSe3)2,-4.426495843,-0.5884752717,0.0,-0.0427802138,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Ag-Al-P-Se,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Ag-Al-P-Se, expected AlAg(PSe4)2 to be AlAg(PSe3)2" +mp-1194904,CuHg(SeO3)2,-5.183325773,-1.0758415472,0.0,-0.0010119661,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Cu-Hg-O-Se,40.0,ABC6D2_mP40_14_e_e_6e_2e:Cu-Hg-O-Se +mp-558426,CsSiBiS4,-4.9239264657,-1.1086394658,0.0,-0.0538189248,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Bi-Cs-S-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_15e_e:Bi-Cs-S-Si, expected CsSiBiS15 to be CsSiBiS4" +mp-568135,Cs4Sc6CCl13,-5.3105788079,-2.1924093833,0.0009865673,0.0009865673,GGA,I4_1/amd,AB13C4D6_tI96_141_a_bg2h_g_eh:C-Cl-Cs-Sc,48.0,"Invalid WP multiplicities - AB13C4D6_tI96_141_a_2b5g12h_g_3e4h:C-Cl-Cs-Sc, expected Cs4Sc22CCl70 to be Cs4Sc6CCl13" +mp-31024,Sc5CCl8,-6.1566737807,-2.1795806166,0.0,-0.0176291152,GGA,C2/m,AB8C5_mC28_12_a_4i_c2i:C-Cl-Sc,14.0,AB8C5_mC28_12_a_4i_c2i:C-Cl-Sc +mp-28479,Sc2CCl2,-6.90906544,-1.7909300355000002,0.0,-0.0965661887,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-Cl-Sc,5.0,AB2C2_hP5_164_a_d_d:C-Cl-Sc +mp-29315,Sc7(CCl5)2,-6.3658848811,-2.0885174432,0.0,-0.0112132953,GGA,C2/m,A2B10C7_mC38_12_i_5i_a3i:C-Cl-Sc,19.0,"Invalid WP multiplicities - A2B10C7_mC38_12_i_6i_a3i:C-Cl-Sc, expected Sc7(CCl6)2 to be Sc7(CCl5)2" +mp-18843,Ca3FeRhO6,-7.146008425,-2.4613483352,0.0162261913,0.0162261913,GGA+U,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Fe-O-Rh,44.0,A3BC6D_hR66_167_e_a_f_b:Ca-Fe-O-Rh +mp-973648,FeRhO3,-6.602590334,-0.4677112912,0.9351273893,0.9351273893,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Rh,5.0,AB3C_cP5_221_b_c_a:Fe-O-Rh +mp-1184349,FeRhO3,-6.499841534,-0.3649624913,1.0378761893,1.0378761893,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Fe-O-Rh,5.0,AB3C_cP5_221_a_c_b:Fe-O-Rh +mp-1347394,Ca3Fe2(RhO6)2,-6.8307722137,-1.7231026171,0.1938095516,0.1938095516,GGA+U,R32,A3B2C12D2_hR57_155_d_ab_2f_c:Ca-Fe-O-Rh,19.0,A3B2C12D2_hR57_155_d_ab_2f_c:Ca-Fe-O-Rh +mp-1375556,Ca2FeRhO6,-6.815567351,-1.8630012402,0.2985497997,0.2985497997,GGA+U,C2,A2BC6D_mC40_5_abc_ab_6c_c:Ca-Fe-O-Rh,20.0,"Invalid WP multiplicities - A2BC6D_mC40_5_abc_ab_12c_c:Ca-Fe-O-Rh, expected Ca2FeRhO12 to be Ca2FeRhO6" +mp-1192254,Tb3AlFeS7,-6.42537573,-1.835888696,0.0644417115,0.0644417115,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Tb,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Tb +mp-1217749,Tb9Al5S21,-6.231559337,-2.0229130154,0.0,-0.0104163979,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Al-S-Tb,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Al-S-Tb, expected Tb24Al5S51 to be Tb9Al5S21" +mp-567956,GaSe2NCl6,-3.7979638303,-0.8532004440000001,0.0869658944,0.0869658944,GGA,P2_1/c,A6BCD2_mP40_14_6e_e_e_2e:Cl-Ga-N-Se,40.0,"Invalid WP multiplicities - A6BCD2_mP40_14_23e_e_e_4e:Cl-Ga-N-Se, expected GaSe4NCl23 to be GaSe2NCl6" +mp-1080652,Se(NCl3)2,-2.7037144178,0.769632392,1.2333593669,1.2333593669,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Se,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Se +mp-1192081,GaNCl4,-3.2585350163,-0.1320787517,0.9131722988,0.9131722988,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Cl-Ga-N,24.0,A4BC_oP24_62_2cd_c_c:Cl-Ga-N +mp-29124,Se2NCl5,-3.5598400852000003,-0.4884649376,0.163651121,0.163651121,GGA,P2_1/c,A5BC2_mP64_14_10e_2e_4e:Cl-N-Se,64.0,"Invalid WP multiplicities - A5BC2_mP64_14_14e_2e_4e:Cl-N-Se, expected Se2NCl7 to be Se2NCl5" +mp-571134,Se2NCl3,-3.81638437,-0.3373963933,0.1842964536,0.1842964536,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:Cl-N-Se,24.0,"Invalid WP multiplicities - A3BC2_mP24_14_9e_e_5e:Cl-N-Se, expected Se5NCl9 to be Se2NCl3" +mp-28791,Se2NCl3,-3.8198076929,-0.3408197162,0.1808731307,0.1808731307,GGA,Pbca,A3BC2_oP96_61_6c_2c_4c:Cl-N-Se,96.0,"Invalid WP multiplicities - A3BC2_oP96_61_10c_2c_4c:Cl-N-Se, expected Se2NCl5 to be Se2NCl3" +mp-569902,GaSe3N2Cl5,-4.1857599459,-0.6010778,0.1587656264,0.1587656264,GGA,P2_1/c,A5BC2D3_mP44_14_5e_e_2e_3e:Cl-Ga-N-Se,44.0,"Invalid WP multiplicities - A5BC2D3_mP44_14_17e_e_5e_8e:Cl-Ga-N-Se, expected GaSe8N5Cl17 to be GaSe3N2Cl5" +mp-1016645,Mg6SbMo,-2.9240150038,0.1480264525,0.3003356346,0.3003356346,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Sb, expected Mg12SbMo to be Mg6SbMo" +mp-1016646,Mg6SbMo,-2.9719675637,0.1000738925,0.2523830746,0.2523830746,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Sb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Sb, expected Mg12SbMo to be Mg6SbMo" +mp-1026466,Mg14SbMo,-2.2636668006000003,0.0724939525,0.1600774504,0.1600774504,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Sb, expected Mg18SbMo to be Mg14SbMo" +mp-1026455,Mg14SbMo,-2.2805982775,0.0555624756,0.1431459735,0.1431459735,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Sb, expected Mg26SbMo to be Mg14SbMo" +mp-1373183,Mg2SbMoO6,-7.112063624,-2.3265292522,0.0818521342,0.0818521342,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Mo-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_2e_a_4e6f_c:Mg-Mo-O-Sb, expected Mg2SbMoO16 to be Mg2SbMoO6" +mp-17382,Rb2Si3SnO9,-7.3173600657,-2.8662405663,0.0,-0.0485042914,GGA,P6_3/m,A9B2C3D_hP30_176_hi_f_h_b:O-Rb-Si-Sn,30.0,A9B2C3D_hP30_176_hi_f_h_b:O-Rb-Si-Sn +mp-1110655,Rb2LiCeF6,-5.645286195,-3.5180907978,0.0234714738,0.0234714738,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-F-Li-Rb +mp-1226640,CeU(Pt4Au)2,-7.0280604092,-0.9996162654,0.0,-0.3956308483,GGA,R3m,A2BC8D_hR36_160_2a_a_2a2b_a:Au-Ce-Pt-U,12.0,"Invalid WP multiplicities - A2BC8D_hR36_160_2a_a_2a6b_a:Au-Ce-Pt-U, expected CeU(Pt10Au)2 to be CeU(Pt4Au)2" +mp-1216725,UPt2Au3,-5.8066579967,-0.2641042217,0.1123543194,0.1123543194,GGA,Imm2,A3B2C_oI12_44_ac_d_b:Au-Pt-U,6.0,A3B2C_oI12_44_ac_d_b:Au-Pt-U +mp-1226653,CePt2Au3,-5.2331076783,-0.5836073792,0.0,-0.0072441292,GGA,Imm2,A3BC2_oI12_44_ac_b_d:Au-Ce-Pt,6.0,A3BC2_oI12_44_ac_b_d:Au-Ce-Pt +mp-1077347,UPt4Au,-7.0127699983,-0.5377991167,0.0,-0.0229678008,GGA,F-43m,AB4C_cF24_216_a_e_c:Au-Pt-U,6.0,AB4C_cF24_216_a_e_c:Au-Pt-U +mp-1024958,ZrHCl,-5.8847826017,-1.28846149,0.0732655217,0.0732655217,GGA,P-3m1,ABC_hP6_164_d_d_d:Cl-H-Zr,6.0,ABC_hP6_164_d_d_d:Cl-H-Zr +mp-1198972,Li6Zr6HCl18,-5.22428555,-2.017636295,0.0206737024,0.0206737024,GGA,R-3,A18BC6D6_hR93_148_3f_a_f_f:Cl-H-Li-Zr,31.0,A18BC6D6_hR93_148_3f_a_f_f:Cl-H-Li-Zr +mp-1193896,Ba2H4Pd,-3.7427577689,-0.5157955018,0.0151310772,0.0151310772,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ba-H-Pd,28.0,A2B4C_oP28_62_2c_2cd_c:Ba-H-Pd +mp-862693,BaNaH3Pd,-3.5097810483,-0.4098543519,0.054314745,0.054314745,GGA,P6_3/mmc,AB3CD_hP12_194_c_h_a_d:Ba-H-Na-Pd,12.0,AB3CD_hP12_194_c_h_a_d:Ba-H-Na-Pd +mp-1225975,CsCrCoF6,-6.1124493061,-2.8762669237000003,0.0,-0.0267712587,GGA+U,Imma,ABCD6_oI36_74_a_c_e_2ej:Co-Cr-Cs-F,18.0,"Invalid WP multiplicities - ABCD6_oI36_74_a_c_e_4e2j:Co-Cr-Cs-F, expected CsCrCoF12 to be CsCrCoF6" +mp-1216935,Tm(Fe5Mo)2,-8.5446468869,-0.0163893682,0.0203934595,0.0203934595,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Tm,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Tm +mp-1216844,TmFe10Mo2N,-8.6613395964,-0.1467794058,0.1407447579,0.1407447579,GGA,Immm,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Tm,14.0,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Tm +mp-1225630,ErFe10Mo2N,-8.6648816707,-0.1437583811,0.1373263386,0.1373263386,GGA,Immm,AB10C2D_oI28_71_a_efhk_g_c:Er-Fe-Mo-N,14.0,AB10C2D_oI28_71_a_efhk_g_c:Er-Fe-Mo-N +mp-1225218,Er(Fe5Mo)2,-8.5491013369,-0.0137758654,0.0184961533,0.0184961533,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Er-Fe-Mo,13.0,AB10C2_oI26_71_a_efhk_g:Er-Fe-Mo +mp-1178449,CsLaO2,-6.849405665,-2.9182089401,0.0,-0.0477946055,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-La-O,8.0,ABC2_hP8_194_c_a_f:Cs-La-O +mp-755198,Cs3LaO3,-5.34918217,-2.1402849764,0.0368576071,0.0368576071,GGA,C2/m,A3BC3_mC28_12_ghi_i_ij:Cs-La-O,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_gh2i_i_2ij:Cs-La-O, expected Cs4LaO4 to be Cs3LaO3" +mp-768536,Cs3LaO3,-5.3618171439,-2.1529199504,0.0242226332,0.0242226332,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-La-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:Cs-La-O, expected Cs9LaO9 to be Cs3LaO3" +mp-1183918,CsLaO3,-6.362289472,-2.2279943498,0.2498969926,0.2498969926,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-La-O,5.0,ABC3_cP5_221_a_b_c:Cs-La-O +mp-771235,CsLa3O5,-7.9023171475,-3.4093318982,0.040375671,0.040375671,GGA,Pnma,AB3C5_oP36_62_c_3c_5c:Cs-La-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_9c_17c:Cs-La-O, expected CsLa9O17 to be CsLa3O5" +mp-726219,CsLaCl4O3,-4.1773562461,-1.0589537738,0.9007061287,0.9007061287,GGA,P2_1/m,A4BCD3_mP18_11_2f_e_e_3e:Cl-Cs-La-O,18.0,A4BCD3_mP18_11_2f_e_e_3e:Cl-Cs-La-O +mp-1193100,Sr(YSe2)2,-6.3121406025,-2.2255575181,0.0,-0.0122344596,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:Se-Sr-Y,28.0,A4BC2_oP28_62_4c_c_2c:Se-Sr-Y +mp-1179003,SrYCu3Se4,-4.8244871,-0.998128157,0.2568897397,0.2568897397,GGA,P-43m,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-Y,9.0,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-Y +mp-989578,Rb2NaInF6,-4.757432484,-3.0070173867,0.0,-0.0507751415,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-Na-Rb +mp-1208962,Sm2NiRuO6,-8.025606379,-2.6084220032000003,0.0042332361,0.0042332361,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ni-O-Ru-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Ni-O-Ru-Sm +mp-1187018,Sm2NiRu,-6.3746687625,-0.25174089,0.4845567249,0.4845567249,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Ni-Ru-Sm +mp-1112230,K2LaCuCl6,-4.351095482,-2.1163723191,0.1016334723,0.1016334723,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-La,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-La +mp-13512,CaNiGe2,-4.7970502587,-0.5391021912,0.0,-0.0165871,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ca-Ge-Ni,8.0,AB2C_oC16_63_c_2c_c:Ca-Ge-Ni +mp-1095188,CaNiGeH,-4.5145611787,-0.5641885637,0.030244845,0.030244845,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:Ca-Ge-H-Ni,8.0,ABCD_tP8_129_c_c_a_b:Ca-Ge-H-Ni +mp-1207078,CaNiH3,-4.1553816900000005,-0.562598751,0.0,-0.108277202,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-H-Ni,5.0,AB3C_cP5_221_a_c_b:Ca-H-Ni +mp-2949,Ca(NiGe)2,-5.109067938,-0.546682148,0.0,-0.0645656622,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Ni,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Ni +mp-1078183,CaNi5H,-5.0310729657,-0.1312144907,0.0664337169,0.0664337169,GGA,Cm,ABC5_mC14_8_a_a_3ab:Ca-H-Ni,7.0,ABC5_mC14_8_a_a_3ab:Ca-H-Ni +mp-1078093,CaNi5H,-5.0437643314,-0.1439058564,0.0537423512,0.0537423512,GGA,Cmm2,ABC5_oC14_35_b_a_acd:Ca-H-Ni,7.0,ABC5_oC14_35_b_a_acd:Ca-H-Ni +mp-1078008,CaNi5H,-5.0145129857,-0.1146545107,0.0829936969,0.0829936969,GGA,Amm2,ABC5_oC14_38_b_a_a2bd:Ca-H-Ni,7.0,ABC5_oC14_38_b_a_a2bd:Ca-H-Ni +mp-1078107,CaNi5H,-5.04273074,-0.142872265,0.0547759426,0.0547759426,GGA,Cmmm,ABC5_oC14_65_a_b_cfg:Ca-H-Ni,7.0,ABC5_oC14_65_a_b_cfg:Ca-H-Ni +mp-1104825,Ca2Ni3Ge2,-4.8741028557,-0.5030077829,0.0,-0.0045338061,GGA,Pmma,A2B2C3_oP14_51_af_cf_ej:Ca-Ge-Ni,14.0,A2B2C3_oP14_51_af_cf_ej:Ca-Ge-Ni +mp-1193893,Ca5Ni17Ge8,-5.2765041177,-0.4340192577,0.0,-0.0243592939,GGA,Amm2,A5B8C17_oC60_38_ade_abd2e_b5d3e:Ca-Ge-Ni,30.0,A5B8C17_oC60_38_ade_abd2e_b5d3e:Ca-Ge-Ni +mp-1104735,Ca2Ni10H,-5.1289195477,-0.1131278088,0.0447450185,0.0447450185,GGA,Cm,A2BC10_mC26_8_2a_a_6a2b:Ca-H-Ni,13.0,A2BC10_mC26_8_2a_a_6a2b:Ca-H-Ni +mp-1104841,Ca2Ni10H,-5.1463706208,-0.1305788819,0.0272939454,0.0272939454,GGA,Cmm2,A2BC10_oC26_35_2b_a_2a2c2d:Ca-H-Ni,13.0,A2BC10_oC26_35_2b_a_2a2c2d:Ca-H-Ni +mp-1104951,Ca2Ni10H,-5.1282281692,-0.1124364304,0.045436397,0.045436397,GGA,Amm2,A2BC10_oC26_38_c_a_ab2cde:Ca-H-Ni,13.0,"Invalid WP multiplicities - A2BC10_oC26_38_c_a_ab4cde:Ca-H-Ni, expected Ca2Ni14H to be Ca2Ni10H" +mp-1104215,Ca2Ni10H,-5.1465137131,-0.1307219742,0.0271508531,0.0271508531,GGA,Cmmm,A2BC10_oC26_65_bc_a_ghkm:Ca-H-Ni,13.0,"Invalid WP multiplicities - A2BC10_oC26_65_bc_a_gh2k2m:Ca-H-Ni, expected Ca2Ni16H to be Ca2Ni10H" +mp-1103879,Ca2Ni10H,-5.1250102385,-0.1092184996,0.0486543278,0.0486543278,GGA,P3m1,A2BC10_hP13_156_2b_a_2a2c2d:Ca-H-Ni,13.0,A2BC10_hP13_156_2b_a_2a2c2d:Ca-H-Ni +mp-1077470,CaNiGe,-4.684585455,-0.54833065,0.0,-0.0040798356,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ca-Ge-Ni,6.0,ABC_tP6_129_c_c_a:Ca-Ge-Ni +mp-1190866,Ca4Ni20H,-5.1896838556,-0.108969489,0.0266291254,0.0266291254,GGA,Cmm2,A4BC20_oC50_35_de_a_abc2d3f:Ca-H-Ni,25.0,"Invalid WP multiplicities - A4BC20_oC50_35_2d2e_a_ab2c4d9f:Ca-H-Ni, expected Ca8Ni50H to be Ca4Ni20H" +mp-1192309,Ca4Ni4Ge3,-4.6138496336,-0.5218469241,0.0,-0.0216857895,GGA,Cmcm,A4B3C4_oC44_63_acf_cf_2f:Ca-Ge-Ni,22.0,A4B3C4_oC44_63_acf_cf_2f:Ca-Ge-Ni +mp-1194160,BaHf(SiO3)3,-8.711577395,-3.5206976478,0.0,-0.0328088741,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Ba-Hf-O-Si,28.0,ABC9D3_hP28_188_a_c_kl_k:Ba-Hf-O-Si +mp-4609,HfSiO4,-9.5179287083,-3.6563850575,0.0,-0.0120393946,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Hf-O-Si,12.0,AB4C_tI24_141_a_h_b:Hf-O-Si +mp-1212568,Hf(SiO)2,-7.417570462,-1.2773299595,1.1350655825,1.1350655825,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Hf-O-Si,20.0,AB2C2_tI40_141_c_h_h:Hf-O-Si +mp-21713,K2In3CuSe6,-3.945517011,-0.9829732927,0.0,-8.3026e-05,GGA,C2/c,AB3C2D6_mC96_15_f_2e2f_2f_6f:Cu-In-K-Se,48.0,AB3C2D6_mC96_15_f_2e2f_2f_6f:Cu-In-K-Se +mp-1041116,HoMg(NiO3)2,-6.7746249255,-2.0323154708,0.081125996,0.081125996,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ho-Mg-Ni-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_31_a_a_b_4a4b:Ho-Mg-Ni-O, expected HoMg(NiO6)2 to be HoMg(NiO3)2" +mp-1212308,Ho4MgNi,-4.4899721225,-0.2049634208,0.0,-0.0094769442,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ho-Mg-Ni,24.0,A4BC_cF96_216_efg_e_e:Ho-Mg-Ni +mp-1205562,Ho2MgNi2,-4.856320693,-0.391246463,0.0,-0.0120923665,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:Ho-Mg-Ni +mp-555100,NbBiO4,-8.1485540038,-2.5271291679,0.0,-0.0387266352,GGA,P-1,ABC4_aP24_2_2i_2i_8i:Bi-Nb-O,24.0,"Invalid WP multiplicities - ABC4_aP24_2_3i_2i_15i:Bi-Nb-O, expected Nb2(BiO5)3 to be NbBiO4" +mp-863076,NbBiO4,-8.0829258583,-2.4615010225,0.0656281454,0.0269015103,GGA,C2,ABC4_mC12_5_a_b_2c:Bi-Nb-O,6.0,"Invalid WP multiplicities - ABC4_mC12_5_a_b_3c:Bi-Nb-O, expected NbBiO6 to be NbBiO4" +mp-23413,NbBiO4,-8.1437385104,-2.5223136746,0.0048154933,-0.0339111418,GGA,Pnna,ABC4_oP24_52_c_d_2e:Bi-Nb-O,24.0,ABC4_oP24_52_c_d_2e:Bi-Nb-O +mp-1186216,NbBiO3,-7.766860284,-2.0104882233,0.4187644049,0.4187644049,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Nb-O,5.0,ABC3_cP5_221_a_b_c:Bi-Nb-O +mp-645592,Nb3(BiO3)5,-7.7005638709,-2.3220120692,0.0171126412,0.0171126412,GGA,Pnc2,A5B3C15_oP46_30_a2c_bc_a7c:Bi-Nb-O,46.0,"Invalid WP multiplicities - A5B3C15_oP46_30_a6c_2b2c_2a25c:Bi-Nb-O, expected Nb6(BiO4)13 to be Nb3(BiO3)5" +mp-676325,NbBi7O13,-6.6063943286,-1.7829808907,0.1264193454,0.1264193454,GGA,P1,A7BC13_aP21_1_7a_a_13a:Bi-Nb-O,21.0,A7BC13_aP21_1_7a_a_13a:Bi-Nb-O +mp-1173639,Nb16Bi47O111,-6.7495918101,-1.6277164267000002,0.5093866284,0.5093866284,GGA,C2,A47B16C111_mC348_5_3a22c_8c_5b53c:Bi-Nb-O,174.0,"Invalid WP multiplicities - A47B16C111_mC348_5_3a44c_15c_5b105c:Bi-Nb-O, expected Nb30Bi91O215 to be Nb16Bi47O111" +mp-34036,NbBi3O7,-7.1242268564,-2.0106274556,0.123401483,0.123401483,GGA,P1,A3BC7_aP11_1_3a_a_7a:Bi-Nb-O,11.0,A3BC7_aP11_1_3a_a_7a:Bi-Nb-O +mp-35185,NbBi3O7,-7.2250015518,-2.111402151,0.0226267875,0.0226267875,GGA,Cm,A3BC7_mC22_8_3a_a_7a:Bi-Nb-O,11.0,A3BC7_mC22_8_3a_a_7a:Bi-Nb-O +mp-1220551,Nb4AgBi5O18,-7.7251302671,-2.3151081737,0.0175384271,0.0175384271,GGA,Cm,AB5C4D18_mC56_8_a_a2b_2b_2a8b:Ag-Bi-Nb-O,28.0,AB5C4D18_mC56_8_a_a2b_2b_2a8b:Ag-Bi-Nb-O +mp-1220132,Pr9Ga5S21,-6.0079190746,-1.8640882428,0.0,-0.00531338,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Ga-Pr-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Ga-Pr-S, expected Pr24Ga5S51 to be Pr9Ga5S21" +mp-1202783,Pr4GaSbS9,-6.0697579195,-1.8358399805,0.0,-0.0086673616,GGA,Aea2,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Pr-S-Sb,60.0,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Pr-S-Sb +mp-1103389,Sr3Ta2ZnO9,-8.1988575447,-3.2279257026,0.0098130266,0.0098130266,GGA,P-3m1,A9B3C2D_hP15_164_ei_ad_d_b:O-Sr-Ta-Zn,15.0,A9B3C2D_hP15_164_ei_ad_d_b:O-Sr-Ta-Zn +mp-7041,CaHgO2,-5.1458146275,-2.0951502106,0.0,-0.1224777081,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Hg-O,4.0,ABC2_hR12_166_a_b_c:Ca-Hg-O +mp-1183570,CaHgO3,-4.643832956,-1.2139636802,0.4621564883,0.4621564883,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-Hg-O,5.0,ABC3_cP5_221_a_b_c:Ca-Hg-O +mp-1234928,CaCr4(HgO4)2,-7.1653490353,-1.77877169,0.3629197397,0.3629197397,GGA+U,R-3m,AB4C2D8_hR45_166_b_ad_c_ch:Ca-Cr-Hg-O,15.0,"Invalid WP multiplicities - AB4C2D8_hR45_166_b_ad_c_2c2h:Ca-Cr-Hg-O, expected CaCr4(HgO8)2 to be CaCr4(HgO4)2" +mp-1191521,Pr3MnGaS7,-6.4531603483,-1.829162211,0.0,-0.0125482213,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Ga-Mn-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Ga-Mn-Pr-S +mp-1219980,PrMnGa,-5.721505185,-0.0644994951,0.3216108157,0.3216108157,GGA,Imma,ABC_oI12_74_e_a_c:Ga-Mn-Pr,6.0,ABC_oI12_74_e_a_c:Ga-Mn-Pr +mp-1226251,CrGa(BiO3)2,-6.9666169685,-1.9623915665,0.0321080022,0.0321080022,GGA+U,R3,A2BCD6_hR30_146_2a_a_a_2b:Bi-Cr-Ga-O,40.0,A2BCD6_hR30_146_2a_a_a_2b:Bi-Cr-Ga-O +mp-1239123,TaCr3(CuS4)2,-6.7944271089,-0.9296462293,0.0688804979,0.0687440774,GGA,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta +mp-1239178,TaCr3(CuS4)2,-6.6320471493,-0.7672662696,0.2312604575,0.231124037,GGA,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta +mp-1239226,TaCr3(CuS4)2,-6.6258588371,-0.7610779575000001,0.2374487696,0.2373123491,GGA,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Cu-S-Ta +mp-1239227,TaCr3(CuS4)2,-6.63082411,-0.7660432304,0.2324834968,0.2323470763,GGA,P-1,A3B2C8D_aP28_2_3i_2i_8i_i:Cr-Cu-S-Ta,28.0,A3B2C8D_aP28_2_3i_2i_8i_i:Cr-Cu-S-Ta +mp-1239158,TaCr3(CuS4)2,-6.6331186446,-0.7683377650000001,0.2301889621,0.2300525416,GGA,P2_1,A3B2C8D_mP56_4_6a_4a_16a_2a:Cr-Cu-S-Ta,56.0,A3B2C8D_mP56_4_6a_4a_16a_2a:Cr-Cu-S-Ta +mp-1239219,TaCr3(CuS4)2,-6.8604661993,-0.9956853196,0.0028414075,0.002704987,GGA,C2,A3B2C8D_mC28_5_ac_c_4c_b:Cr-Cu-S-Ta,14.0,"Invalid WP multiplicities - A3B2C8D_mC28_5_ac_c_8c_b:Cr-Cu-S-Ta, expected TaCr3(CuS8)2 to be TaCr3(CuS4)2" +mp-1239223,TaCr3(CuS4)2,-6.7671790993,-0.9023982196,0.0961285075,0.095992087,GGA,Pm,A3B2C8D_mP14_6_a2b_ab_4a4b_a:Cr-Cu-S-Ta,14.0,A3B2C8D_mP14_6_a2b_ab_4a4b_a:Cr-Cu-S-Ta +mp-1239161,TaCr3(CuS4)2,-6.613576918,-0.7487960384,0.2497306888,0.2495942683,GGA,Pc,A3B2C8D_mP56_7_6a_4a_16a_2a:Cr-Cu-S-Ta,56.0,"Invalid WP multiplicities - A3B2C8D_mP56_7_8a_6a_24a_2a:Cr-Cu-S-Ta, expected TaCr4(CuS4)3 to be TaCr3(CuS4)2" +mp-1239163,TaCr3(CuS4)2,-6.7676171157,-0.9028362361,0.0956904911,0.0955540706,GGA,P2/m,A3B2C8D_mP14_10_ak_de_mno_b:Cr-Cu-S-Ta,14.0,"Invalid WP multiplicities - A3B2C8D_mP14_10_dk_ab_2m2no_e:Cr-Cu-S-Ta, expected TaCr3(CuS6)2 to be TaCr3(CuS4)2" +mp-1239231,TaCr3(CuS4)2,-6.7781445029,-0.9133636232,0.0851631039,0.0850266834,GGA,P2/m,A3B2C8D_mP14_10_ak_l_mno_b:Cr-Cu-S-Ta,14.0,"Invalid WP multiplicities - A3B2C8D_mP14_10_al_k_2m2n2o_b:Cr-Cu-S-Ta, expected TaCr3(CuS8)2 to be TaCr3(CuS4)2" +mp-1239179,TaCr3(CuS4)2,-6.6556199968000005,-0.7908391171,0.20768761,0.2075511895,GGA,P2_1/m,A3B2C8D_mP28_11_3e_2e_8e_e:Cr-Cu-S-Ta,28.0,A3B2C8D_mP28_11_3e_2e_8e_e:Cr-Cu-S-Ta +mp-1239207,TaCr3(CuS4)2,-6.7883250996,-0.92354422,0.0749825071,0.0748460866,GGA,P2_1/m,A3B2C8D_mP28_11_ade_2e_4e2f_e:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_11_2abe_2e_4e3f_e:Cr-Cu-S-Ta, expected TaCr4(CuS5)2 to be TaCr3(CuS4)2" +mp-1239258,TaCr3(CuS4)2,-6.53051005,-0.6657291704,0.3327975568,0.3326611363,GGA,P2_1/m,A3B2C8D_mP28_11_3e_2e_4e2f_e:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_11_3e_2e_4e3f_e:Cr-Cu-S-Ta, expected TaCr3(CuS5)2 to be TaCr3(CuS4)2" +mp-1239162,TaCr3(CuS4)2,-6.7114902775,-0.8467093979,0.1518173293,0.1516809088,GGA,P2/c,A3B2C8D_mP28_13_ag_ef_4g_d:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_13_ag_ef_6g_d:Cr-Cu-S-Ta, expected TaCr3(CuS6)2 to be TaCr3(CuS4)2" +mp-1239141,TaCr3(CuS4)2,-6.7707259057,-0.9059450261,0.0925817011,0.0924452806,GGA,P2_1/c,A3B2C8D_mP28_14_ae_e_4e_d:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_14_ae_e_6e_d:Cr-Cu-S-Ta, expected TaCr3(CuS6)2 to be TaCr3(CuS4)2" +mp-1239167,TaCr3(CuS4)2,-6.8633076068,-0.9985267271,0.0,-0.0001364205,GGA,P222_1,A3B2C8D_oP28_17_abc_e_4e_d:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_17_2a2cd_e_16e_b:Cr-Cu-S-Ta, expected TaCr5(CuS16)2 to be TaCr3(CuS4)2" +mp-1239176,TaCr3(CuS4)2,-6.8570309732,-0.9922500936,0.0062766336,0.0061402131,GGA,P222_1,A3B2C8D_oP28_17_ae_cd_4e_b:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_17_ae_2c2d_14e_b:Cr-Cu-S-Ta, expected TaCr3(CuS7)4 to be TaCr3(CuS4)2" +mp-1239135,TaCr3(CuS4)2,-6.7919008264,-0.9271199468,0.0714067804,0.0712703599,GGA,Pmc2_1,A3B2C8D_oP28_26_ac_ab_2a2b2c_b:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_26_ac_a2b_3a3b5c_b:Cr-Cu-S-Ta, expected TaCr3Cu3S16 to be TaCr3(CuS4)2" +mp-1239148,TaCr3(CuS4)2,-6.6603126793000005,-0.7955317996,0.2029949275,0.202858507,GGA,Pmc2_1,A3B2C8D_oP28_26_a2b_ab_4a4b_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_26_2a2b_2ab_5a7b_a:Cr-Cu-S-Ta, expected TaCr4(CuS4)3 to be TaCr3(CuS4)2" +mp-1239229,TaCr3(CuS4)2,-6.6511635764,-0.7863826968000001,0.2121440304,0.2120076099,GGA,Pmc2_1,A3B2C8D_oP28_26_a2b_ab_4a4b_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_26_2a2b_a2b_6a6b_a:Cr-Cu-S-Ta, expected TaCr4(CuS4)3 to be TaCr3(CuS4)2" +mp-1239234,TaCr3(CuS4)2,-6.6100975186,-0.7453166389,0.2532100882,0.2530736677,GGA,Pca2_1,A3B2C8D_oP56_29_3a_2a_8a_a:Cr-Cu-S-Ta,56.0,A3B2C8D_oP56_29_3a_2a_8a_a:Cr-Cu-S-Ta +mp-1239138,TaCr3(CuS4)2,-6.6558641696,-0.79108329,0.2074434371,0.2073070166,GGA,Pmn2_1,A3B2C8D_oP28_31_3a_2a_8a_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_5a_4a_16a_a:Cr-Cu-S-Ta, expected TaCr5(CuS4)4 to be TaCr3(CuS4)2" +mp-1239139,TaCr3(CuS4)2,-6.5044274368,-0.6396465571000001,0.35888017,0.3587437495,GGA,Pmn2_1,A3B2C8D_oP28_31_3a_2a_4a2b_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_5a_4a_8a7b_a:Cr-Cu-S-Ta, expected TaCr5(Cu2S11)2 to be TaCr3(CuS4)2" +mp-1239140,TaCr3(CuS4)2,-6.6619902804,-0.7972094007,0.2013173264,0.2011809059,GGA,Pmn2_1,A3B2C8D_oP28_31_3a_2a_8a_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_5a_4a_16a_a:Cr-Cu-S-Ta, expected TaCr5(CuS4)4 to be TaCr3(CuS4)2" +mp-1239215,TaCr3(CuS4)2,-6.6482405757,-0.7834596961,0.2150670311,0.2149306106,GGA,Pmn2_1,A3B2C8D_oP28_31_3a_2a_8a_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_5a_4a_16a_a:Cr-Cu-S-Ta, expected TaCr5(CuS4)4 to be TaCr3(CuS4)2" +mp-1239251,TaCr3(CuS4)2,-6.5826501293,-0.7178692496,0.2806574775,0.280521057,GGA,Pmn2_1,A3B2C8D_oP28_31_3a_2a_4a2b_a:Cr-Cu-S-Ta,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_5a_4a_8a7b_a:Cr-Cu-S-Ta, expected TaCr5(Cu2S11)2 to be TaCr3(CuS4)2" +mp-1239166,TaCr3(CuS4)2,-6.8605705986,-0.9957897189,0.0027370082,0.0026005877,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Cu-S-Ta,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Cr-Cu-S-Ta, expected TaCr3(CuS11)2 to be TaCr3(CuS4)2" +mp-1217791,Ta2Cr3Cu,-9.4754569358,-0.0131395458,0.0724445254,0.0724445254,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Cr-Cu-Ta,12.0,A3BC2_hP12_194_h_a_f:Cr-Cu-Ta +mp-1106310,Cu2SiHgS4,-4.4433860906,-0.6342346903,0.0,-0.0039138164,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Hg-S-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Hg-S-Si +mp-17948,Si(Hg2S3)2,-3.3982984777,-0.5384131422,0.0130408491,0.0130408491,GGA,Cc,A4B6C_mC44_9_4a_6a_a:Hg-S-Si,22.0,A4B6C_mC44_9_4a_6a_a:Hg-S-Si +mp-1219143,Sm6Mn(SiS7)2,-6.5293488548,-1.9104590157,0.0,-0.0329830424,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mn-S-Si-Sm,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mn-S-Si-Sm +mp-1217164,Ti3Co(CuS4)2,-6.3712275993,-1.2223128764,0.0332082371,0.0332082371,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Cu-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Co-Cu-S-Ti, expected Ti3Co(CuS8)2 to be Ti3Co(CuS4)2" +mp-1216991,TiCoCuS4,-6.1197421271,-1.0270541344,0.045652675,0.045652675,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Co-Cu-S-Ti, expected TiCoCuS8 to be TiCoCuS4" +mp-1021373,LaMg6Ti,-2.6683529669,0.1357944608,0.2097458334,0.2097458334,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Ti, expected LaMg12Ti to be LaMg6Ti" +mp-1021386,LaMg6Ti,-2.661874785,0.1422726427,0.2162240153,0.2162240153,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Ti, expected LaMg12Ti to be LaMg6Ti" +mp-1247309,La3Mg2TiS8,-6.172238295,-1.9582616974,0.1620961355,0.1620961355,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:La-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:La-Mg-S-Ti, expected La3Mg2TiS22 to be La3Mg2TiS8" +mp-1246901,LaMgTiS4,-6.23639365,-1.811025273,0.1687002425,0.1687002425,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:La-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:La-Mg-S-Ti, expected LaMgTiS12 to be LaMgTiS4" +mp-1026495,LaMg14Ti,-2.1395852356,0.0626285032,0.1098620572,0.1098620572,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Ti, expected LaMg18Ti to be LaMg14Ti" +mp-1026486,LaMg14Ti,-2.1218772131,0.0803365257,0.1275700797,0.1275700797,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Ti, expected LaMg26Ti to be LaMg14Ti" +mp-1246549,LaMg2Ti3S8,-6.3426270179,-1.7058668614,0.1332263366,0.1332263366,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:La-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:La-Mg-S-Ti, expected LaMg2Ti3S16 to be LaMg2Ti3S8" +mp-1097174,Mn2FeRe,-6.14232624,3.6673185048,3.6720158237,3.6720158237,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Mn-Re,4.0,AB2C_oI8_71_a_e_b:Fe-Mn-Re +mp-1282595,Mn2FeReO6,-8.775571316,-1.8837001913,0.0797047518,0.0797047518,GGA+U,P-1,AB2C6D_aP20_2_ah_2i_6i_be:Fe-Mn-O-Re,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_ah_3i_12i_be:Fe-Mn-O-Re, expected Mn3FeReO12 to be Mn2FeReO6" +mp-1289779,Mn2FeReO6,-8.788961703,-1.8970905783,0.0663143648,0.0663143648,GGA+U,P2_1,AB2C6D_mP20_4_a_2a_6a_a:Fe-Mn-O-Re,20.0,AB2C6D_mP20_14_a_e_3e_b:Fe-Mn-O-Re +mp-1105179,Mn2FeReO6,-8.789148201,-1.8972770763,0.0661278668,0.0661278668,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-Mn-O-Re,20.0,AB2C6D_mP20_14_a_e_3e_b:Fe-Mn-O-Re +mp-1035518,Mg14CdFeO16,-6.2826625744,-2.8156672291,0.0345869856,0.0345869856,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cd-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cd-Fe-Mg-O, expected Mg18CdFeO20 to be Mg14CdFeO16" +mp-1035508,Mg14CdFeO16,-6.2541595556,-2.7871642103000003,0.0630900044,0.0630900044,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cd-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cd-Fe-Mg-O, expected Mg30CdFeO32 to be Mg14CdFeO16" +mp-1022159,Mg6CdFe,-2.2588803094,0.1154435994,0.1671940831,0.1671940831,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Fe-Mg, expected Mg12CdFe to be Mg6CdFe" +mp-1022203,Mg6CdFe,-2.2514502406,0.1228736681,0.1746241519,0.1746241519,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Fe-Mg, expected Mg12CdFe to be Mg6CdFe" +mp-1027800,Mg14CdFe,-1.8897619194,0.09754006,0.1372220936,0.1372220936,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Fe-Mg, expected Mg18CdFe to be Mg14CdFe" +mp-1027778,Mg14CdFe,-1.8958653163,0.0914366631,0.1311186967,0.1311186967,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Fe-Mg, expected Mg26CdFe to be Mg14CdFe" +mp-2232230,MgCd2(FeO2)4,-6.5497275980000005,-1.4230839913,0.320243981,0.320243981,GGA+U,P1,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Fe-Mg-O,15.0,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Fe-Mg-O +mp-2232135,MgCd2(FeO2)4,-6.7078075033,-1.5811638967,0.1621640757,0.1621640757,GGA+U,P1,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Fe-Mg-O,15.0,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Fe-Mg-O +mp-2232159,MgCd2(FeO2)4,-6.6968638587,-1.570220252,0.1731077203,0.1731077203,GGA+U,Cm,A2B4CD8_mC30_8_2a_2ab_a_4a2b:Cd-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_5_ab_3c_a_8c:Cd-Fe-Mg-O, expected MgCd2(Fe3O8)2 to be MgCd2(FeO2)4" +mp-1037402,Mg30CdFeO32,-6.2910242361,-2.9207843731,0.0313628839,0.0313628839,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cd-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cd-Fe-Mg-O, expected Mg110CdFeO72 to be Mg30CdFeO32" +mp-1037391,Mg30CdFeO32,-6.3086205253,-2.9383806623,0.0137665947,0.0137665947,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cd-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cd-Fe-Mg-O, expected Mg90CdFeO80 to be Mg30CdFeO32" +mp-1032129,Mg6CdFeO8,-6.2325037044,-2.5719973944,0.0744707356,0.0744707356,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cd-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cd-Fe-Mg-O, expected Mg6CdFeO12 to be Mg6CdFeO8" +mp-1032131,Mg6CdFeO8,-6.1764166962,-2.5159103862,0.1305577437,0.1305577437,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cd-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cd-Fe-Mg-O, expected Mg6CdFeO12 to be Mg6CdFeO8" +mp-12082,Er(CrSi)2,-7.346771354,-0.401881392,0.1077004738,0.1077004738,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Er-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Er-Si +mp-1078190,Er2Cr2C3,-8.3453593186,-0.3271408846,0.0,-0.0789300113,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Er,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Er +mp-1206309,ErCr2Si2C,-7.75573174,-0.4302125229,0.0,-0.0010586997,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-Er-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-Er-Si +mp-1046481,Ti5Zn4(TeO6)3,-7.0850371783,-2.3188122115,0.2192914849,0.2192914849,GGA,C2/c,A18B3C5D4_mC120_15_9f_af_e2f_2f:O-Te-Ti-Zn,60.0,"Invalid WP multiplicities - A18B3C5D4_mC120_15_35f_c2f_e4f_6f:O-Te-Ti-Zn, expected Ti9Zn12(TeO14)5 to be Ti5Zn4(TeO6)3" +mp-1235175,LiAl4Zn2O8,-6.4543660173,-2.5220844776,0.4154470475,0.4154470475,GGA,C2/m,A4BC8D2_mC30_12_ei_b_2ij_ac:Al-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_e2i_a_3i4j_bc:Al-Li-O-Zn, expected LiAl6Zn2O22 to be LiAl4Zn2O8" +mp-1236205,LiAl4Zn2O8,-6.4468292593,-2.5145477196,0.4229838055,0.4229838055,GGA,C2/m,A4BC8D2_mC30_12_aci_b_2ij_e:Al-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bc2i_a_4i3j_f:Al-Li-O-Zn, expected LiAl6Zn2O20 to be LiAl4Zn2O8" +mp-1235363,LiAl4Zn2O8,-6.4734759627,-2.5411944229,0.3963371022,0.3963371022,GGA,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Al-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_abc_a_4c4d_d:Al-Li-O-Zn, expected LiAl4Zn2O16 to be LiAl4Zn2O8" +mp-1236099,LiAl4Zn2O8,-6.4605397633,-2.5282582236,0.4092733015,0.4092733015,GGA,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Al-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_abc_a_4c4d_d:Al-Li-O-Zn, expected LiAl4Zn2O16 to be LiAl4Zn2O8" +mp-1095784,LiAlZn2,-0.8134513475,1.2300451317,1.3770679858,1.3770679858,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Li-Zn,4.0,ABC2_oI8_71_a_b_e:Al-Li-Zn +mp-1185304,LiAlZn2,-2.18312215,-0.1396256708,0.0073971833,0.0073971833,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Zn,4.0,ABC2_cF16_225_a_b_c:Al-Li-Zn +mp-1111549,Na2TaAuF6,-5.437469182,-2.5129107798,0.464355896,0.464355896,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Ta +mp-653631,BaNa4Cu3F12,-4.7616810756,-2.6394588889,0.0143624682,0.0143624682,GGA,Ia-3,AB3C12D4_cI320_206_ab_e_4e_c2d:Ba-Cu-F-Na,160.0,"Invalid WP multiplicities - AB3C12D4_cI320_206_2a2b_e_82e_5c16d:Ba-Cu-F-Na, expected Ba2Na29Cu3F246 to be BaNa4Cu3F12" +mp-1097515,K2AgAu,-1.73840931,0.3433996643,0.4922870318,0.4922870318,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-K,4.0,ABC2_oI8_71_a_b_e:Ag-Au-K +mp-1112479,K2AgAuCl6,-3.290473191,-1.3486276053,0.0429760445,0.0429760445,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Cl-K +mp-1213759,Cs3IrBr6O,-3.6233203095,-1.2788203107,0.2845542092,0.2845542092,GGA,Pnma,A6B3CD_oP44_62_2c2d_3c_c_c:Br-Cs-Ir-O,44.0,A6B3CD_oP44_62_2c2d_3c_c_c:Br-Cs-Ir-O +mp-1202832,Ba38Na58Li26H,-1.6542339865,-0.0066548376,0.015703627,0.015703627,GGA,F-43m,A38BC26D58_cF492_216_ac3e2h_b_2efh_eg4h:Ba-H-Li-Na,123.0,A38BC26D58_cF492_216_ac3e2h_b_2efh_eg4h:Ba-H-Li-Na +mp-632808,BaLiH3,-2.791583514,0.0096316743,0.620587922,0.5716680285,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ba-H-Li,5.0,AB3C_cP5_221_b_c_a:Ba-H-Li +mp-23818,BaLiH3,-3.412171436,-0.6109562477,0.0,-0.0489198935,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-H-Li,5.0,AB3C_cP5_221_a_c_b:Ba-H-Li +mp-989558,Cs2TlGaF6,-4.721323062,-2.8562812902,0.0,-0.0250247771,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Tl +mp-1111066,Na2CuMoF6,-5.295861535,-2.3899834178,0.1805279598,0.1805279598,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Mo-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Mo-Na +mp-1220624,Nd2EuBeO5,-8.8396433247,-3.4767374263,0.0119031278,0.0119031278,GGA,Pna2_1,ABC2D5_oP36_33_a_a_2a_5a:Be-Eu-Nd-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_33_a_a_2a_10a:Be-Eu-Nd-O, expected Nd2EuBeO10 to be Nd2EuBeO5" +mp-1210044,NdEu2BeO5,-9.3711689311,-3.3983903251,0.0,-0.0411651107,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:Be-Eu-Nd-O,36.0,AB2CD5_oP36_62_c_d_c_3cd:Be-Eu-Nd-O +mp-1196464,CsFeAgF6,-5.0038205633,-2.3741701866,0.0,-0.0107728117,GGA+U,Pnma,ABC6D_oP36_62_c_c_2c2d_a:Ag-Cs-F-Fe,36.0,ABC6D_oP36_62_c_c_2c2d_a:Ag-Cs-F-Fe +mp-646007,Cs2Tb6Te7N2,-5.7028798582,-1.6868132437,0.0,-0.0116913285,GGA,Cm,A2B2C6D7_mC34_8_2a_2a_6a_7a:Cs-N-Tb-Te,17.0,"Invalid WP multiplicities - A2B2C6D7_mC34_12_i_i_3i_a4i:Cs-N-Tb-Te, expected Cs2Tb6Te9N2 to be Cs2Tb6Te7N2" +mp-655613,Cs2Tb6Te7N2,-5.6995500712,-1.6834834566,0.0033297871,-0.0083615415,GGA,C2/m,A2B2C6D7_mC34_12_i_i_3i_a3i:Cs-N-Tb-Te,17.0,"Invalid WP multiplicities - A2B2C6D7_mC34_12_i_i_3i_a4i:Cs-N-Tb-Te, expected Cs2Tb6Te9N2 to be Cs2Tb6Te7N2" +mp-1192600,Tb3Te3N,-6.2634171786,-1.7392013350000002,0.0,-0.0015168939,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:N-Tb-Te,28.0,AB3C3_mP28_14_e_3e_3e:N-Tb-Te +mp-1201395,Tb4Te3N2,-6.7350558006,-1.775014475,0.0,-0.0143378583,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:N-Tb-Te,36.0,A2B4C3_oP36_52_cd_2e_ce:N-Tb-Te +mp-1111969,K2TlCuCl6,-3.501164427,-1.5237776599,0.0309459887,0.0309459887,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tl +mp-13940,Sr2TmReO6,-8.048998181,-3.0510500028,0.0583498575,0.0583498575,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Tm +mp-1222411,LiCa2CuN2,-5.2079355442,-0.7592156864,0.0,-0.060439312,GGA,P4_2/mnm,A2BCD2_tP12_136_d_a_b_f:Ca-Cu-Li-N,12.0,A2BCD2_tP12_136_d_a_b_f:Ca-Cu-Li-N +mp-1222516,Li8CuN3,-4.1456862133,-0.4473466818,0.0,-0.0099878479,GGA,C2/m,AB8C3_mC24_12_a_4i_di:Cu-Li-N,,"Invalid WP multiplicities - AB8C3_mC24_12_a_7i_ci:Cu-Li-N, expected Li14CuN3 to be Li8CuN3" +mp-1147674,Li(CuN)3,-5.0816776614,0.5206120031,0.7504190186,0.7504190186,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cu-Li-N,7.0,A3BC3_cP7_221_c_a_d:Cu-Li-N +mp-676829,Li49Cu8N19,-4.1676807136,-0.4213086425,0.0182955314,0.0182955314,GGA,P6/mmm,A8B49C19_hP76_191_4e_bc5e9h_a9e:Cu-Li-N,76.0,"Invalid WP multiplicities - A8B49C19_hP76_191_5e_b2c10e35h_a18e:Cu-Li-N, expected Li165Cu10N37 to be Li49Cu8N19" +mp-532007,Li47Cu7N18,-4.1562058846,-0.4274457447,0.0149973488,0.0149973488,GGA,P6/mmm,A7B47C18_hP72_191_a3e_b5e9h_9e:Cu-Li-N,72.0,"Invalid WP multiplicities - A7B47C18_hP72_191_a5e_b10e33h_17e:Cu-Li-N, expected Li153Cu11N34 to be Li47Cu7N18" +mp-1147646,LiCuN,-4.7455403267000005,0.0360011606,0.3409048656,0.3409048656,GGA,P4/mmm,ABC_tP3_123_c_b_a:Cu-Li-N,3.0,ABC_tP3_123_c_b_a:Cu-Li-N +mp-1247364,Li3CuN2,-4.6051441146,-0.1886499279,0.2108774635,0.2108774635,GGA,Cmce,AB3C2_oC48_64_f_fg_ef:Cu-Li-N,24.0,AB3C2_oC48_64_f_fg_ef:Cu-Li-N +mp-1246961,Li3CuN2,-4.6071357554,-0.1906415687,0.2088858226,0.2088858226,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Cu-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Cu-Li-N +mp-1222572,Li7Cu2N3,-4.2987883333,-0.4179251515,0.0,-0.0152270251,GGA,R-3m,A2B7C3_hR36_166_c_bf_ac:Cu-Li-N,12.0,A2B7C3_hR36_166_c_bf_ac:Cu-Li-N +mp-1246596,Li2CuN,-4.4214364031,-0.358049571,0.0125637373,0.0125637373,GGA,Pbcm,AB2C_oP16_57_c_cd_d:Cu-Li-N,16.0,AB2C_oP16_57_c_cd_d:Cu-Li-N +mp-559756,PrScO3,-9.0729051085,-3.8822169097,0.0,-0.0295388878,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Pr-Sc,20.0,"Invalid WP multiplicities - A3BC_oP20_62_4c4d_c_a:O-Pr-Sc, expected PrScO12 to be PrScO3" +mp-1218030,SrPrScO4,-8.269295335,-3.6136348838,0.0387277639,0.0387277639,GGA,Cmc2_1,A4BCD_oC28_36_2ab_a_a_a:O-Pr-Sc-Sr,14.0,"Invalid WP multiplicities - A4BCD_oC28_36_4ab_a_a_a:O-Pr-Sc-Sr, expected SrPrScO6 to be SrPrScO4" +mp-1217978,SrPrScO4,-8.2505923214,-3.5949318702,0.0574307775,0.0574307775,GGA,I4mm,A4BCD_tI14_107_2ab_a_a_a:O-Pr-Sc-Sr,7.0,A4BCD_tI14_107_2ab_a_a_a:O-Pr-Sc-Sr +mp-1114191,Rb2InSbI6,-2.848486599,-1.0802914775,0.0657824318,0.0657824318,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Sb +mp-1246649,Sr3Fe3N5,-7.1772434391,-0.6171508377,0.0,-0.0048842641,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Fe-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Fe-N-Sr +mp-573523,Sr8Fe3N8,-6.3307824868,-0.771941926,0.0,-0.0322797376,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-N-Sr,19.0,"Invalid WP multiplicities - A3B8C8_mC38_12_a2i_5i_7i:Fe-N-Sr, expected Sr14(FeN2)5 to be Sr8Fe3N8" +mp-1246785,Mn3Fe8N9,-8.580512196499999,-0.0667787024,0.2656373198,0.2656373198,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Fe-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Fe-Mn-N +mp-1245673,Mn3(FeN2)2,-8.9247936872,-0.2834527988,0.1054515714,0.1054515714,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Fe-Mn-N,18.0,A2B3C4_mC36_15_f_ef_2f:Fe-Mn-N +mp-1246755,Mn3(FeN2)2,-8.8037102169,-0.1623693285,0.2265350417,0.2265350417,GGA,Pnna,A2B3C4_oP36_52_cd_ce_2e:Fe-Mn-N,36.0,A2B3C4_oP36_52_cd_ce_2e:Fe-Mn-N +mp-1247340,Mn(FeN)2,-8.67827718,-0.1232676676,0.1942198095,0.1942198095,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Fe-Mn-N,5.0,A2BC2_hP5_164_d_a_d:Fe-Mn-N +mp-567532,Sr8(MnN3)3,-6.6913753916,-0.8898530002,0.0,-0.0231023199,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Sr,80.0,"Invalid WP multiplicities - A3B9C8_mP80_14_9e_33e_29e:Mn-N-Sr, expected Sr29(Mn3N11)3 to be Sr8(MnN3)3" +mp-1245611,Sr(FeN)2,-7.367156152,-0.3066510073,0.1881195503,0.1881195503,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Fe-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Fe-N-Sr +mp-9325,Sr3MnN3,-6.4780876514,-0.8723761618,0.0,-0.0176685199,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Mn-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Mn-N-Sr +mp-1247476,MnFe5N4,-8.614101396,-0.1282912918,0.1564884555,0.1564884555,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Fe-Mn-N,20.0,A5BC4_oP20_59_ag_b_ef:Fe-Mn-N +mp-1245641,Mn(Fe5N4)2,-8.4796492132,-0.0294288557,0.2530292975,0.2530292975,GGA,C2/m,A10BC8_mC38_12_5i_a_4i:Fe-Mn-N,19.0,A10BC8_mC38_12_5i_a_4i:Fe-Mn-N +mp-1246863,Sr5(FeN2)2,-5.9147616193,-0.5753534933000001,0.1064558532,0.1064558532,GGA,P4/ncc,A2B4C5_tP44_130_f_g_cg:Fe-N-Sr,44.0,A2B4C5_tP44_130_f_g_cg:Fe-N-Sr +mp-1247367,Sr10MnN8,-5.4089115574,-0.5273900192000001,0.2280805088,0.2280805088,GGA,C2/m,AB8C10_mC38_12_a_4i_5i:Mn-N-Sr,19.0,AB8C10_mC38_12_a_4i_5i:Mn-N-Sr +mp-35644,Sr3FeN3,-6.255572555,-0.7487173629,0.01676607,0.01676607,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Fe-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Fe-N-Sr +mp-1246793,Mn10FeN8,-9.0448924611,-0.2668854331,0.162634805,0.162634805,GGA,Immm,AB10C8_oI38_71_a_efhn_egn:Fe-Mn-N,19.0,AB10C8_oI38_71_a_efhn_egn:Fe-Mn-N +mp-1246260,Sr5MnN4,-5.6863994561,-0.5908532303,0.2197917419,0.2197917419,GGA,P2_1/m,AB4C5_mP80_11_2ef_4e6f_a5e7f:Mn-N-Sr,80.0,AB4C5_mP80_11_2ef_4e6f_a5e7f:Mn-N-Sr +mp-1246116,Mn9(FeN4)2,-9.0933082574,-0.3517219706,0.0643751954,0.0643751954,GGA,C2/m,A2B9C8_mC38_12_i_a4i_4i:Fe-Mn-N,19.0,A2B9C8_mC38_12_i_a4i_4i:Fe-Mn-N +mp-1246617,Mn3Fe3N5,-8.83697645,-0.2389233472,0.1364778352,0.1364778352,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Fe-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Fe-Mn-N +mp-1246657,Sr4MnN4,-6.2542553156,-0.7802587816000001,0.0572740919,0.0572740919,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Mn-N-Sr,18.0,AB4C4_aP18_2_i_4i_4i:Mn-N-Sr +mp-1246888,Sr4MnN4,-6.2987850897,-0.8247885558,0.0127443178,0.0127443178,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:Mn-N-Sr,36.0,AB4C4_oP36_62_c_4c_4c:Mn-N-Sr +mp-1246465,Sr(MnN)4,-8.4513910437,-0.4865538969,0.1361816135,0.1361816135,GGA,Fm-3,A4B4C_cF108_202_h_h_ac:Mn-N-Sr,27.0,A4B4C_cF108_202_h_h_ac:Mn-N-Sr +mp-1245614,Sr7MnN6,-5.8149634995,-0.7430035698,0.0388441407,0.0388441407,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Mn-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:Mn-N-Sr +mp-1029878,SrMnN2,-7.7403444681,-0.8592198193,0.0,-0.1304433813,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Mn-N-Sr,16.0,AB2C_mP16_14_e_2e_e:Mn-N-Sr +mp-1246446,Mn8Fe3N8,-9.0233644311,-0.3181988854,0.0844752084,0.0844752084,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-Mn-N,19.0,A3B8C8_mC38_12_ai_4i_4i:Fe-Mn-N +mp-1245907,Mn2FeN2,-8.849538908,-0.1561305792,0.22640981,0.22640981,GGA,Cmc2_1,AB2C2_oC20_36_a_b_b:Fe-Mn-N,10.0,AB2C2_oC20_36_a_b_b:Fe-Mn-N +mp-1247361,Mn2FeN2,-9.005989211,-0.3125808822,0.069959507,0.069959507,GGA,Pmmn,AB2C2_oP10_59_a_e_e:Fe-Mn-N,10.0,AB2C2_tI10_139_a_e_e:Fe-Mn-N +mp-1245879,Mn2FeN2,-8.793868358,-0.1004600292,0.28208036,0.28208036,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Fe-Mn-N,5.0,AB2C2_hP5_164_a_d_d:Fe-Mn-N +mp-28771,Sr2FeN2,-6.4187072932,-0.7143076999,0.0190371298,0.0190371298,GGA,P-1,AB2C2_aP25_2_a2i_5i_5i:Fe-N-Sr,25.0,"Invalid WP multiplicities - AB2C2_aP25_2_a3i_6i_6i:Fe-N-Sr, expected Sr12Fe7N12 to be Sr2FeN2" +mp-1246259,SrMn7N10,-8.7267849431,-0.4385321793,0.0935612657,0.0935612657,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Mn-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:Mn-N-Sr +mp-1246668,Mn3(FeN)8,-8.6240745763,-0.1010127365,0.2158746059,0.2158746059,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Fe-Mn-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Fe-Mn-N +mp-1246147,Mn2Fe9N8,-8.5169534,-0.0303123014,0.2693604464,0.2693604464,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Fe-Mn-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Fe-Mn-N +mp-1245511,Sr3(FeN2)2,-6.7240010311,-0.5735007556,0.1077484528,0.1077484528,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Fe-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Fe-N-Sr +mp-1247243,Sr3(FeN2)2,-6.7813204242000005,-0.6308201486,0.0504290597,0.0504290597,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Fe-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Fe-N-Sr +mp-1245335,Sr5FeN4,-5.515989757,-0.4896429393,0.2461771225,0.2461771225,GGA,P2_1/m,AB4C5_mP80_11_2ef_4e6f_a5e7f:Fe-N-Sr,80.0,AB4C5_mP80_11_2ef_4e6f_a5e7f:Fe-N-Sr +mp-1245332,Mn10FeN9,-8.8956392809,-0.1397078581,0.3034019983,0.3034019983,GGA,P2_1/c,AB10C9_mP80_14_e_10e_9e:Fe-Mn-N,80.0,AB10C9_mP80_14_e_10e_9e:Fe-Mn-N +mp-1247040,Sr8Mn3N8,-6.5155156458,-0.8474128614,0.0096584555,0.0096584555,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Mn-N-Sr,19.0,A3B8C8_mC38_12_ai_4i_4i:Mn-N-Sr +mp-1246080,Sr(MnN)2,-7.8311128533,-0.4938100758,0.1935657796,0.1935657796,GGA,C2/m,A2B2C_mC30_12_ij_ij_ah:Mn-N-Sr,15.0,A2B2C_mC30_12_ij_ij_ah:Mn-N-Sr +mp-1246208,Sr(MnN)2,-7.688782635,-0.3514798575,0.3358959979,0.3358959979,GGA,I4/mcm,A2B2C_tI20_140_h_h_a:Mn-N-Sr,10.0,A2B2C_tI20_140_h_h_a:Mn-N-Sr +mp-1247374,Sr(MnN)2,-7.795946016,-0.4586432385,0.2287326169,0.2287326169,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Mn-N-Sr +mp-1247514,Mn5FeN4,-9.0246463215,-0.2620385845,0.1460056417,0.1460056417,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Fe-Mn-N,20.0,AB5C4_oP20_59_a_bg_ef:Fe-Mn-N +mp-1247277,Mn3FeN3,-9.0439766479,-0.3346120963,0.0752526064,0.0752526064,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Fe-Mn-N,14.0,AB3C3_hP14_194_c_h_h:Fe-Mn-N +mp-1246996,Sr3(MnN2)2,-6.9915927439,-0.6873160057000001,0.1504382228,0.1504382228,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Mn-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Mn-N-Sr +mp-1245964,Sr3(MnN2)2,-7.0810018119,-0.7767250737,0.0610291548,0.0610291548,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Mn-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Mn-N-Sr +mp-1247555,Sr9(MnN4)2,-6.0742778763,-0.7994657150000001,0.0251212753,0.0251212753,GGA,C2/m,A2B8C9_mC38_12_i_4i_a4i:Mn-N-Sr,19.0,A2B8C9_mC38_12_i_4i_a4i:Mn-N-Sr +mp-1246690,Sr5(MnN3)2,-6.7706806058,-0.8637215749,0.0182995287,0.0182995287,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Mn-N-Sr,26.0,A2B6C5_mC52_15_f_3f_e2f:Mn-N-Sr +mp-1247553,SrFe5N4,-7.838403973,-0.0998460527,0.2735752349,0.2735752349,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Fe-N-Sr,20.0,A5B4C_oP20_59_ag_ef_b:Fe-N-Sr +mp-1247199,Sr3Mn3N5,-7.5160559059,-0.7672376458,0.0441453491,0.0441453491,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Mn-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Mn-N-Sr +mp-569961,Sr8Mn2FeN8,-6.4766963326,-0.8450142894,0.0,-0.0092253203,GGA,C2/m,AB2C8D8_mC38_12_a_i_4i_4i:Fe-Mn-N-Sr,19.0,"Invalid WP multiplicities - AB2C8D8_mC38_12_a_i_7i_7i:Fe-Mn-N-Sr, expected Sr14Mn2FeN14 to be Sr8Mn2FeN8" +mp-1246137,Sr2MnN2,-6.3803019605,-0.5375035508,0.2767142003,0.2767142003,GGA,P2_1/m,AB2C2_mP80_11_4e2f_4e6f_a3e6f:Mn-N-Sr,80.0,AB2C2_mP80_11_4e2f_4e6f_a3e6f:Mn-N-Sr +mp-1246807,Sr2MnN2,-6.5236341575,-0.6808357478,0.1333820033,0.1333820033,GGA,Cmce,AB2C2_oC40_64_f_2f_2f:Mn-N-Sr,20.0,AB2C2_oC40_64_f_2f_2f:Mn-N-Sr +mp-1229236,BaCa2Yb10O18,-6.3832611353,-2.8230464804,0.1577651832,0.1577651832,GGA,Pm,AB2C18D10_mP62_6_ab_3ab_18a18b_9a11b:Ba-Ca-O-Yb,,AB2C18D10_mP62_6_ab_3ab_18a18b_9a11b:Ba-Ca-O-Yb +mp-979986,BaCaYb2,-1.713311895,0.03763595,0.03763595,0.03763595,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Ca-Yb,,ABC2_cF16_225_a_b_c:Ba-Ca-Yb +mp-1224935,Gd2NbInO7,-10.0972923827,-3.2216510892,0.0448590408,0.0448590408,GGA,Imma,A2BCD7_oI44_74_ac_b_d_3ej:Gd-In-Nb-O,22.0,"Invalid WP multiplicities - A2BCD7_oI44_74_ac_b_d_5e2j:Gd-In-Nb-O, expected Gd2NbInO13 to be Gd2NbInO7" +mp-1213287,CsReO2,-6.7343453769,-0.926018632,0.93458507,0.93458507,GGA,I4_1/a,AB2C_tI32_88_c_f_d:Cs-O-Re,16.0,AB2C_tI32_88_c_f_d:Cs-O-Re +mp-2227823,Cs2Mg(ReO4)2,-7.3928948177,-2.1733833674,0.2156113589,0.2156113589,GGA,C2/m,A2BC8D2_mC26_12_i_a_2ij_i:Cs-Mg-O-Re,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_4i2j_i:Cs-Mg-O-Re, expected Cs2Mg(ReO8)2 to be Cs2Mg(ReO4)2" +mp-2227722,Cs2Mg(ReO4)2,-7.3754631269,-2.1559516766,0.2330430497,0.2330430497,GGA,Imm2,A2BC8D2_oI26_44_ab_a_2c2d_ab:Cs-Mg-O-Re,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_ab_a_2c3d_ab:Cs-Mg-O-Re, expected Cs2Mg(ReO5)2 to be Cs2Mg(ReO4)2" +mp-17621,CsReO4,-7.8797411158,-2.3586270488,0.0,-0.3563802279,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Cs-O-Re,24.0,AB4C_oP24_62_c_2cd_c:Cs-O-Re +mp-505130,CsReO4,-7.8761005167,-2.3549864497,0.0036405992,-0.3527396288,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Cs-O-Re,12.0,AB4C_tI24_141_a_h_b:Cs-O-Re +mp-1096938,Cs2ReO4,-6.9867023414,-2.1264042308,0.0,-0.0955786327,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-Re,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-O-Re +mp-1211542,Li3Ho3(TeO6)2,-7.0323351003,-2.7762915237,0.0,-0.0288797276,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ho-Li-O-Te,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ho-Li-O-Te +mp-574620,CsYZnSe3,-4.8390025075,-1.6541105861,0.0,-0.073534391,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Se-Y-Zn,12.0,"Invalid WP multiplicities - AB3CD_oC24_63_c_2c3f_a_c:Cs-Se-Y-Zn, expected CsYZnSe8 to be CsYZnSe3" +mp-1187872,Zn2InGaO5,-5.6568049717,-1.9865038018,0.0125036728,0.0125036728,GGA,P6_3/mmc,ABC5D2_hP18_194_b_a_cef_f:Ga-In-O-Zn,18.0,"Invalid WP multiplicities - ABC5D2_hP18_194_b_a_2c4e3f_f:Ga-In-O-Zn, expected Zn2InGaO16 to be Zn2InGaO5" +mp-1153970,Zn4InGaO7,-5.4202365642,-1.9244230895,0.0107467804,0.0107467804,GGA,P6_3/mmc,ABC7D4_hP26_194_c_a_be2f_ef:Ga-In-O-Zn,26.0,ABC7D4_hP26_194_c_a_be2f_ef:Ga-In-O-Zn +mp-1215688,ZnInGaO4,-5.87077216,-2.0384467018,0.0198385486,0.0198385486,GGA,R3m,ABC4D_hR21_160_a_a_4a_a:Ga-In-O-Zn,7.0,ABC4D_hR21_160_a_a_4a_a:Ga-In-O-Zn +mp-1215740,Zn3InGaO6,-5.5159319982,-1.9487371936,0.01254806,0.01254806,GGA,R3m,ABC6D3_hR33_160_a_a_6a_3a:Ga-In-O-Zn,11.0,ABC6D3_hR33_160_a_a_6a_3a:Ga-In-O-Zn +mp-28595,KNaSe,-3.2302768408,-1.2539982681,0.0,-0.0174153442,GGA,Pnma,ABC_oP12_62_c_c_c:K-Na-Se,12.0,ABC_oP12_62_c_c_c:K-Na-Se +mp-1100443,KNaSe,-3.04866195,-1.0723833773,0.1816148908,0.1641995467,GGA,F-43m,ABC_cF12_216_a_c_b:K-Na-Se,3.0,ABC_cF12_216_a_c_b:K-Na-Se +mp-569806,K5Na(Ti2Se9)3,-5.0042140683,-1.1930068369,0.0,-0.0476659519,GGA,P31c,A5BC27D6_hP78_159_2bc_a_9c_2c:K-Na-Se-Ti,78.0,"Invalid WP multiplicities - A5BC27D6_hP78_159_4b3c_a_48c_8c:K-Na-Se-Ti, expected K13Na(TiSe6)24 to be K5Na(Ti2Se9)3" +mp-1233360,CaSm4(Mo2O7)2,-8.5324461009,-2.7273945001,0.1965339898,0.1965339898,GGA+U,P1,AB4C14D4_aP23_1_a_4a_14a_4a:Ca-Mo-O-Sm,23.0,AB4C14D4_aP23_1_a_4a_14a_4a:Ca-Mo-O-Sm +mp-1234486,CaSm4(Mo2O7)2,-8.6052987661,-2.8002471653,0.1236813245,0.1236813245,GGA+U,Cm,AB4C14D4_mC46_8_a_2ab_6a4b_2ab:Ca-Mo-O-Sm,23.0,"Invalid WP multiplicities - AB4C14D4_mC46_8_a_2ab_6a8b_2ab:Ca-Mo-O-Sm, expected CaSm4(Mo2O11)2 to be CaSm4(Mo2O7)2" +mp-1219582,RbAlNiF6,-5.6652828739,-3.2236028308,0.0,-0.0245940438,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Al-F-Ni-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Al-F-Ni-Rb, expected RbAlNiF12 to be RbAlNiF6" +mp-3647,LiGaS2,-4.5798290113,-1.2773493555,0.0,-0.1107616294,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ga-Li-S,16.0,ABC2_oP16_33_a_a_2a:Ga-Li-S +mp-1211167,LiCr4GaS8,-6.5686489057,-1.0943054983,0.0,-0.0193869546,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Ga-Li-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Ga-Li-S +mp-1216807,Tm2Mn3Sb3O14,-7.850295649099999,-2.4830973582,0.0053906351,0.0053906351,GGA+U,C2/m,A3B14C3D2_mC44_12_abc_3i2j_de_f:Mn-O-Sb-Tm,22.0,"Invalid WP multiplicities - A3B14C3D2_mC44_12_abc_5i6j_df_e:Mn-O-Sb-Tm, expected Tm2Mn3Sb3O34 to be Tm2Mn3Sb3O14" +mp-753830,Tm2Sb2O7,-7.5073590364,-2.7949504631,0.1294492774,0.1294492774,GGA,Ima2,A7B2C2_oI44_46_b3c_ab_ab:O-Sb-Tm,22.0,"Invalid WP multiplicities - A7B2C2_oI44_46_2b9c_2a2b_2a2b:O-Sb-Tm, expected TmSbO5 to be Tm2Sb2O7" +mp-777990,Tm2Sb2O7,-7.5533224008,-2.8409138275,0.083485913,0.083485913,GGA,P3_121,A7B2C2_hP66_152_7c_abc_abc:O-Sb-Tm,66.0,"Invalid WP multiplicities - A7B2C2_hP66_152_42c_2a3b2c_3a3b3c:O-Sb-Tm, expected Tm4Sb3O28 to be Tm2Sb2O7" +mp-768450,Tm3Sb5O12,-7.3553424362,-2.683703586,0.0,-0.0533270237,GGA,I-43m,A12B5C3_cI80_217_2g_ce_d:O-Sb-Tm,40.0,"Invalid WP multiplicities - A12B5C3_cI80_217_5g_2c2e_d:O-Sb-Tm, expected Tm3(SbO3)10 to be Tm3Sb5O12" +mp-1207831,TmSbO4,-7.6199545617,-2.8880226436000003,0.0019907063,-0.1840541306,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-Sb-Tm,24.0,A4BC_aP24_2_8i_2i_2i:O-Sb-Tm +mp-1238251,TmSbO4,-7.6219452679,-2.8900133499000003,0.0,-0.1860448369,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Sb-Tm,24.0,"Invalid WP multiplicities - A4BC_mP24_14_5e_e_e:O-Sb-Tm, expected TmSbO5 to be TmSbO4" +mp-1191574,Nd3GaFeS7,-6.3277192,-1.7645768168,0.0391903332,0.0391903332,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Nd-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Nd-S +mp-1186788,Ta2Mo2O5,-8.7962565444,-1.0028899849,1.5921505928,1.5921505928,GGA+U,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Mo-O-Ta,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Mo-O-Ta, expected Ta2Mo2O9 to be Ta2Mo2O5" +mp-1046352,Ta2MoO8,-9.2961878086,-2.5566682577,0.29316972,0.29316972,GGA+U,C2/c,AB8C2_mC44_15_e_4f_f:Mo-O-Ta,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_5f_f:Mo-O-Ta, expected Ta2MoO10 to be Ta2MoO8" +mp-1217800,Ta12MoO33,-10.116475633,-3.2386558691,0.0,-0.0204008446,GGA+U,C2,AB33C12_mC92_5_a_b16c_6c:Mo-O-Ta,46.0,AB33C12_mC92_5_a_b16c_6c:Mo-O-Ta +mp-1377229,TaZn2MoO6,-7.766943653,-2.2766389303,0.0698992639,0.0698992639,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Mo-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Mo-O-Ta-Zn, expected TaZn3MoO18 to be TaZn2MoO6" +mp-1186878,Ta2Mo2O11,-9.2660584247,-2.6113630044,0.0,-0.014681654,GGA+U,R-3m,A2B11C2_hR45_166_c_cdh_c:Mo-O-Ta,15.0,A2B11C2_hR45_166_c_cdh_c:Mo-O-Ta +mp-1217139,Ti3Mn(CuS4)2,-6.5806982936,-1.2850908924,0.0,-0.0125540133,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Mn-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Cu-Mn-S-Ti, expected Ti3Mn(CuS8)2 to be Ti3Mn(CuS4)2" +mp-1097219,Ti2MnCu,-4.29072575,2.9723257489,3.160739678,3.160739678,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Mn-Ti,4.0,ABC2_oI8_71_a_b_e:Cu-Mn-Ti +mp-744259,Ca3Mn2(GeO4)3,-7.4641488418,-2.5856399255,0.0,-0.0189101294,GGA+U,I4_1/a,A3B3C2D12_tI160_88_ef_abf_cd_6f:Ca-Ge-Mn-O,80.0,"Invalid WP multiplicities - A3B3C2D12_tI160_88_2e3f_2a2b4f_2c2d_38f:Ca-Ge-Mn-O, expected Ca4Mn2Ge5O38 to be Ca3Mn2(GeO4)3" +mp-1326076,Ca3Mn2(GeO4)3,-7.4378654061,-2.5593564899,0.0262834356,0.0073733062,GGA+U,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Mn-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Mn-O +mp-1214074,CaMnGeO4,-7.6518854464,-2.5694000361,0.0,-0.016184127,GGA+U,Pnma,ABCD4_oP28_62_c_c_a_2cd:Ca-Ge-Mn-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Ca-Ge-Mn-O +mp-1043952,CaMn(GeO3)2,-7.4297105745,-2.4203302595,0.028320891,0.0172770347,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Ca-Ge-Mn-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Ca-Ge-Mn-O +mp-1043484,CaMn(GeO3)2,-7.4580314655,-2.4486511505,0.0,-0.0110438563,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Ca-Ge-Mn-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Ca-Ge-Mn-O +mp-1112072,K2ErAuCl6,-4.120994663,-2.0056327966,0.1342831954,0.1342831954,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Er-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-Er-K +mp-567820,K6NbTlAs4,-3.6164610904,-0.4695597997,0.0,-0.0345475387,GGA,Pnma,A4B6CD_oP48_62_2cd_2c2d_c_c:As-K-Nb-Tl,48.0,"Invalid WP multiplicities - A4B6CD_oP48_62_7c4d_8c11d_c_c:As-K-Nb-Tl, expected K30NbTlAs15 to be K6NbTlAs4" +mp-567424,K8NbAs5Pb,-3.5290020225000003,-0.4628196418,0.0,-0.0192793077,GGA,C2/c,A5B8CD_mC120_15_5f_8f_f_f:As-K-Nb-Pb,60.0,"Invalid WP multiplicities - A5B8CD_mC120_15_15f_29f_f_f:As-K-Nb-Pb, expected K29NbAs15Pb to be K8NbAs5Pb" +mp-646920,K5(AsPb)3,-3.1478395111,-0.3599039511,0.0,-0.0229910768,GGA,Pnma,A3B5C3_oP44_62_cd_a2cd_cd:As-K-Pb,44.0,"Invalid WP multiplicities - A3B5C3_oP44_62_3c2d_3a7c4d_3c3d:As-K-Pb, expected K18As7Pb9 to be K5(AsPb)3" +mp-1219106,SmY(MnGe)4,-7.11623117,-0.4837081863,0.0,-8.8053e-05,GGA,P4/mmm,A4B4CD_tP10_123_gh_i_a_d:Ge-Mn-Sm-Y,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_2gh_i_c_b:Ge-Mn-Sm-Y, expected SmY(Mn2Ge3)2 to be SmY(MnGe)4" +mp-17588,AgRuF7,-4.6978196906,-1.865896211,0.0,-0.0389666918,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Ag-F-Ru,36.0,AB7C_mP36_14_e_7e_e:Ag-F-Ru +mp-1110601,Rb2AgRuF6,-4.7993043150000005,-2.2456142657,0.0263257413,0.0263257413,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ru +mp-1194552,Sm10As8Au3O10,-7.0850446313,-2.4480336086,0.0,-0.0444951186,GGA,I4/m,A8B3C10D10_tI62_87_2h_ac_di_ei:As-Au-O-Sm,31.0,A8B3C10D10_tI62_87_2h_ac_di_ei:As-Au-O-Sm +mp-16160,Sm4Au2O9,-7.4672252775,-2.8044048148,0.0,-0.0171881959,GGA,Pbcn,A2B9C4_oP60_60_d_c4d_2d:Au-O-Sm,60.0,"Invalid WP multiplicities - A2B9C4_oP60_60_d_c7d_2d:Au-O-Sm, expected Sm4Au2O15 to be Sm4Au2O9" +mp-978596,Sm2Au2O5,-6.2669150733,-1.7426506482000002,0.6368178800000001,0.6368178800000001,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Au-O-Sm,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Au-O-Sm, expected Sm2Au2O9 to be Sm2Au2O5" +mp-10560,Sm3AuO6,-7.789268867,-3.0782915998,0.0,-0.0093090278,GGA,P-1,AB6C3_aP10_2_a_3i_bi:Au-O-Sm,10.0,AB6C3_aP10_2_a_3i_bi:Au-O-Sm +mp-1206301,Sm2As3Au,-2.1576528117,2.2904154358,3.3035250158,3.3035250158,GGA,P4/mmm,A3BC2_tP6_123_ag_b_g:As-Au-Sm,6.0,A3BC2_tP6_123_ag_b_g:As-Au-Sm +mp-978809,SmAs2Au,-5.0863333356,-0.7586570994,0.0011750856,0.0011750856,GGA,Pnma,A2BC_oP16_62_2c_c_c:As-Au-Sm,16.0,"Invalid WP multiplicities - A2BC_oP16_62_5c_c_c:As-Au-Sm, expected SmAs5Au to be SmAs2Au" +mp-1106039,SmAs2Au,-5.0858503713,-0.7581741350000001,0.00165805,0.00165805,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Sm,16.0,A2BC_oC32_64_df_e_f:As-Au-Sm +mp-1179432,SmAs2Au,-5.0861697013,-0.758493465,0.00133872,0.00133872,GGA,Cmce,A2BC_oC32_64_df_e_f:As-Au-Sm,32.0,A2BC_oC32_64_df_e_f:As-Au-Sm +mp-979001,SmAs2Au,-5.083594075,-0.7559178387000001,0.0039143463,0.0039143463,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Au-Sm,8.0,A2BC_tP8_129_ac_b_c:As-Au-Sm +mp-1217471,TbPaO4,-9.8404681883,-4.1845039208,0.0018284875,-0.4862241643,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Tb,6.0,A4BC_tP6_123_i_a_d:O-Pa-Tb +mp-1173104,TbPaO4,-9.8422966758,-4.1863324083,0.0,-0.4880526518,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Tb,12.0,A4BC_tI24_141_f_a_b:O-Pa-Tb +mp-1187365,TbPa,-6.86900664,0.20550874,0.20550874,0.20550874,GGA,P-6m2,AB_hP2_187_a_d:Pa-Tb,2.0,AB_hP2_187_a_d:Pa-Tb +mp-1206245,Ba2TbPaO6,-8.501915115,-3.7352038243,0.0,-0.0936928375,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Tb +mp-1223909,In2AgTe3I,-3.3150715243,-0.566613311,0.0240049082,0.0240049082,GGA,Cm,ABC2D3_mC14_8_a_a_2a_3a:Ag-I-In-Te,7.0,ABC2D3_mC14_8_a_a_2a_3a:Ag-I-In-Te +mp-570431,AgTe3I,-2.9275422630000003,-0.1803742563,0.1756436415,0.1756436415,GGA,Pmna,ABC3_oP20_53_g_e_hi:Ag-I-Te,20.0,"Invalid WP multiplicities - ABC3_oP20_53_g_e_4h4i:Ag-I-Te, expected AgTe12I to be AgTe3I" +mp-1209039,Sm2BeGa2O7,-7.5521261983,-3.0638263518,0.0566369272,0.0566369272,GGA,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Be-Ga-O-Sm,24.0,AB2C7D2_tP24_113_a_e_cef_e:Be-Ga-O-Sm +mp-1112601,Cs2CoHgF6,-4.194973861,-2.1278061901,0.3013184424,0.3013184424,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-Hg +mp-1112160,K2InCuBr6,-3.258785458,-1.4197996306,0.0641874129,0.0641874129,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Cu-In-K +mp-1207161,Ba2LaPuO6,-8.673326639999999,-3.4011338818,0.0,-0.0504708577,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Pu,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Pu +mp-1185610,LaPu3,-11.495140825,0.4397396987,0.4397396987,0.4397396987,GGA,Pm,AB3_mP8_6_ab_3a3b:La-Pu,8.0,AB3_mP8_6_ab_3a3b:La-Pu +mp-1185252,LaPu3,-11.701299385,0.2335811387,0.2335811387,0.2335811387,GGA,I4/mmm,AB3_tI8_139_a_bd:La-Pu,4.0,AB3_tI8_139_a_bd:La-Pu +mp-28537,As2PbO4,-6.3382268611,-1.6499927575000002,0.0,-0.0118056432,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:As-O-Pb,28.0,A2B4C_mP28_14_2e_4e_e:As-O-Pb +mp-505465,As2Pb2O5,-6.2513727192,-1.6428199962,0.0,-0.0328894895,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:As-O-Pb,36.0,A2B5C2_mP36_14_2e_5e_2e:As-O-Pb +mp-1214920,As2PbO8,-5.6533313759,-0.8711137786,0.5496537934,0.5496537934,GGA,P-1,A2B8C_aP22_2_2i_8i_i:As-O-Pb,22.0,A2B8C_aP22_2_2i_8i_i:As-O-Pb +mp-20015,As2PbO6,-6.48216216,-1.7364936992,0.0,-0.0909838296,GGA,P-31m,A2B6C_hP9_162_c_k_b:As-O-Pb,9.0,A2B6C_hP9_162_c_k_b:As-O-Pb +mp-1192209,As3Pb2BrO6,-6.013378845,-1.627061349,0.0,-0.0146523629,GGA,P2_1/m,A3BC6D2_mP24_11_3e_e_2e2f_2e:As-Br-O-Pb,24.0,A3BC6D2_mP24_11_3e_e_2e2f_2e:As-Br-O-Pb +mp-1214810,AsPbO4,-6.1946761933,-1.5015894733,0.1259046079,0.1259046079,GGA,P2/c,AB4C_mP12_13_e_2g_f:As-O-Pb,12.0,AB4C_mP12_13_e_2g_f:As-O-Pb +mp-31107,As2Pb8O13,-6.1287848976,-1.6363341752,0.0,-0.0161010832,GGA,C2/m,A2B13C8_mC92_12_gi_3i5j_4i2j:As-O-Pb,46.0,"Invalid WP multiplicities - A2B13C8_mC92_12_g2i_6i16j_7i6j:As-O-Pb, expected As3(PbO2)19 to be As2Pb8O13" +mp-505368,As2Pb3O8,-6.3536863488,-1.7360180635,0.0,-0.0501544534,GGA,P2_1/c,A2B8C3_mP26_14_e_4e_ae:As-O-Pb,26.0,A2B8C3_mP26_14_e_4e_ae:As-O-Pb +mp-1214749,As3Pb5BrO12,-6.1830229502,-1.732838025,0.0,-0.0244410671,GGA,P6_3/m,A3BC12D5_hP42_176_h_b_2hi_fh:As-Br-O-Pb,42.0,A3BC12D5_hP42_176_h_b_2hi_fh:As-Br-O-Pb +mp-1113634,Rb2MnTlF6,-5.220313679,-2.7248536401,0.0474002438,0.0474002438,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Mn-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Mn-Rb-Tl +mp-1080528,U3Al3NiRu2,-8.0857731989,-0.3702288344,0.0876015867,0.0876015867,GGA,P-62m,A3BC2D3_hP9_189_f_b_c_g:Al-Ni-Ru-U,9.0,A3BC2D3_hP9_189_f_b_c_g:Al-Ni-Ru-U +mp-867775,Al2NiRu,-6.3298056925,-0.6933829725,0.0,-0.0272274999999999,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Ni-Ru +mp-568842,U3(Al3Ru)4,-6.5558270026,-0.4548401526,0.0620181934,0.0620181934,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Ru-U,38.0,"Invalid WP multiplicities - A12B4C3_hP38_194_b3f5h8k_2a2g_h:Al-Ru-U, expected U3(Al35Ru4)2 to be U3(Al3Ru)4" +mp-1080013,UAlRu,-8.4860229256,-0.3822267989,0.0667538344,0.0667538344,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ru-U,9.0,ABC_hP9_189_f_bc_g:Al-Ru-U +mp-1196284,U3Al19Ni5,-5.3156330974,-0.3548607196,0.0071491719,0.0071491719,GGA,Cmcm,A19B5C3_oC108_63_c9f_c2f_cf:Al-Ni-U,54.0,A19B5C3_oC108_63_c9f_c2f_cf:Al-Ni-U +mp-1193796,U(Al5Ru)2,-5.5891494146,-0.4125360769,0.0,-0.0146868385,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-U,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Ru-U +mp-581536,U4Al18Ni5,-5.5541353289,-0.3138876111,0.0638233407,0.0638233407,GGA,Cm,A18B5C4_mC54_8_18a_5a_4a:Al-Ni-U,27.0,A18B5C4_mC54_8_18a_5a_4a:Al-Ni-U +mp-1079129,UAlNi,-7.2197153556,-0.2806745156,0.1585521478,0.1585521478,GGA,Amm2,ABC_oC18_38_ad_bd_be:Al-Ni-U,9.0,ABC_oC18_38_ad_bd_be:Al-Ni-U +mp-1079086,UAlNi,-7.2214866422,-0.2824458022,0.1567808611,0.1567808611,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Ni-U,9.0,ABC_hP9_189_f_bc_g:Al-Ni-U +mp-16519,UAlNi4,-6.7068833233,-0.3472945633,0.0520416034,0.0520416034,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Ni-U,6.0,AB4C_cF24_216_a_e_c:Al-Ni-U +mp-2903,UAl3Ni2,-6.0871619867,-0.4057601767,0.105258915,0.105258915,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Al-Ni-U,6.0,A3B2C_hP6_191_g_c_a:Al-Ni-U +mp-1224682,Gd2GaSbO7,-9.3276844941,-2.9698515194,0.0,-0.0099405409,GGA,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Ga-Gd-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Ga-Gd-O-Sb, expected Gd2GaSbO13 to be Gd2GaSbO7" +mp-1209779,Pr3Nb(ClO2)3,-7.7927762238,-3.2027943352,0.0523764163,0.0523764163,GGA,P6_3/m,A3BC6D3_hP26_176_h_c_i_h:Cl-Nb-O-Pr,26.0,A3BC6D3_hP26_176_h_c_i_h:Cl-Nb-O-Pr +mp-557497,Pr2Nb11O30,-9.4031625128,-3.1455618549,0.0233694571,0.0233694571,GGA,P-62c,A11B30C2_hP86_190_fgi_3fgh3i_f:Nb-O-Pr,86.0,"Invalid WP multiplicities - A11B30C2_hP86_190_3f5g7i_12f6g6h30i_f:Nb-O-Pr, expected Pr2Nb63O240 to be Pr2Nb11O30" +mp-1173439,PrNb3O9,-9.3412170438,-3.2177540226,0.0348289891,0.0348289891,GGA,P-1,A3B9C_aP52_2_6i_18i_2i:Nb-O-Pr,52.0,"Invalid WP multiplicities - A3B9C_aP52_2_12i_34i_4i:Nb-O-Pr, expected Pr2Nb6O17 to be PrNb3O9" +mp-558373,PrNb3O9,-9.3687793112,-3.2453162899,0.0072667218,0.0072667218,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:Nb-O-Pr,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_8e_32e_e:Nb-O-Pr, expected PrNb8O32 to be PrNb3O9" +mp-4709,PrNbO4,-9.2844577333,-3.5062967933,0.0,-0.0948611517,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Pr,12.0,AB4C_mC24_15_e_2f_e:Nb-O-Pr +mp-1219754,PrNb4O12,-9.1887789141,-3.0389912406,0.0731545446,0.0731545446,GGA,Amm2,A4B12C_oC34_38_f_2cdef_a:Nb-O-Pr,17.0,A4B12C_oC34_38_f_2cdef_a:Nb-O-Pr +mp-14963,Pr3NbO7,-8.9778351741,-3.6077585119,0.0028852058,0.0028852058,GGA,Cmcm,AB7C3_oC44_63_a_cgh_bg:Nb-O-Pr,22.0,AB7C3_oC44_63_a_cgh_bg:Nb-O-Pr +mp-560873,Pr3Nb(Cl3O2)2,-7.0111297957,-3.0595585736,0.01920807,0.01920807,GGA,P6_3/m,A6BC4D3_hP28_176_2h_c_dh_h:Cl-Nb-O-Pr,28.0,"Invalid WP multiplicities - A6BC4D3_hP28_176_7h_c_2d2h_h:Cl-Nb-O-Pr, expected Pr3NbCl21O8 to be Pr3Nb(Cl3O2)2" +mp-975913,PrNbO3,-8.87407588,-2.9296204942,0.3420852024,0.3420852024,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Nb-O-Pr,5.0,AB3C_cP5_221_b_c_a:Nb-O-Pr +mp-28707,PrNb5O14,-9.3786966322,-3.1516429866,0.0248258905,0.0248258905,GGA,Pmmn,A5B14C_oP80_59_e2g_abe4f4g_f:Nb-O-Pr,80.0,"Invalid WP multiplicities - A5B14C_oP80_59_e2g_2abe5f6g_f:Nb-O-Pr, expected Pr2Nb10O39 to be PrNb5O14" +mp-15634,Cs2NaTiF6,-5.5469730975,-3.2992035116,0.0004471468,-0.0305356546,GGA,R-3m,A2B6CD_hR60_166_2c_2h_c_ab:Cs-F-Na-Ti,20.0,A2B6CD_hR60_166_2c_2h_c_ab:Cs-F-Na-Ti +mp-562050,Cs2NaTiF6,-5.5474202443,-3.2996506584,0.0,-0.0309828014,GGA,P-3m1,A2B6CD_hP30_164_c2d_3i_ad_bd:Cs-F-Na-Ti,30.0,"Invalid WP multiplicities - A2B6CD_hP30_164_2c4d_14i_ad_b2d:Cs-F-Na-Ti, expected Cs12Na3Ti5F84 to be Cs2NaTiF6" +mp-23366,Rb2CoBr4,-3.7262130357,-1.5431417129,0.0,-0.0346967243,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Br-Co-Rb,28.0,A4BC2_oP28_62_2cd_c_2c:Br-Co-Rb +mp-1209578,RbCoBr3,-3.785360497,-1.2357731255,0.064049351,0.064049351,GGA,P3c1,A3BC_hP30_158_3d_abc_d:Br-Co-Rb,30.0,A3BC_hP30_158_3d_abc_d:Br-Co-Rb +mp-1209410,RbCoBr3,-3.69873785,-1.1491504785,0.150671998,0.150671998,GGA,P-3c1,A3BC_hP30_165_fg_bd_f:Br-Co-Rb,30.0,A3BC_hP30_165_fg_bd_f:Br-Co-Rb +mp-1209412,RbCoBr3,-3.6539783073,-1.1043909358,0.1954315407,0.1954315407,GGA,P6_3cm,A3BC_hP30_185_cd_ab_c:Br-Co-Rb,30.0,A3BC_hP30_185_cd_ab_c:Br-Co-Rb +mp-1206319,RbCoBr3,-3.833192164,-1.2836047925,0.016217684,0.016217684,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Br-Co-Rb,10.0,A3BC_hP10_194_h_a_c:Br-Co-Rb +mp-1209697,RbCo(BrO2)3,-4.3195176491,-0.4624204559,0.3616459626,0.3616459626,GGA+U,C2/c,A3BC6D_mC44_15_cf_d_3f_e:Br-Co-O-Rb,22.0,A3BC6D_mC44_15_af_b_3f_e:Br-Co-O-Rb +mp-1096857,CaCuS2,-4.8309836475,-1.2365570766,0.1860277483,0.1860277483,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ca-Cu-S,4.0,ABC2_tP4_123_a_d_e:Ca-Cu-S +mp-1147535,Ca2Cu(SCl)2,-4.5190169071,-1.6503912666,0.3640134662,0.3640134662,GGA,P4/mmm,A2B2CD2_tP7_123_f_e_b_ac:Ca-Cl-Cu-S,7.0,A2B2CD2_tP7_123_f_e_b_ac:Ca-Cl-Cu-S +mp-22369,FeSb6(Pb2S7)2,-4.8493591908,-0.6091625882,0.043844639,0.043844639,GGA,P2_1/c,AB4C14D6_mP50_14_a_2e_7e_3e:Fe-Pb-S-Sb,50.0,"Invalid WP multiplicities - AB4C14D6_mP50_14_a_2e_9e_7e:Fe-Pb-S-Sb, expected FeSb14(Pb2S9)2 to be FeSb6(Pb2S7)2" +mp-34910,Nd2Sn2O7,-7.1476687291,-2.4038269515,0.5717397177,0.4654034843,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nd-O-Sn,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Nd-O-Sn, expected NdSnO10 to be Nd2Sn2O7" +mp-17114,Nd2Sn2O7,-7.7194084468,-2.9755666692,0.0,-0.1063362334,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Nd-O-Sn +mp-1209839,Nd2CuSnO6,-7.4547061925,-2.7221856267,0.0501373164,0.0501373164,GGA,P2_1/m,AB2C6D_mP40_11_ab_4e_4e4f_cd:Cu-Nd-O-Sn,40.0,AB2C6D_mP40_11_ad_4e_4e4f_bc:Cu-Nd-O-Sn +mp-1518925,BaSr(GeO3)4,-6.4007472839,-1.8751448201,0.3580845111,0.3580845111,GGA,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Ge-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Ge-O-Sr, expected BaSr(GeO4)4 to be BaSr(GeO3)4" +mp-1195589,BaNd(SnS3)2,-5.4287063172,-1.4762097889,0.0,-0.0042635911,GGA,Pmc2_1,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Nd-S-Sn,40.0,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Nd-S-Sn +mp-1077133,GdCoSi,-9.5788760233,-0.7089566683,0.0,-0.0577706933,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-Gd-Si,6.0,ABC_tP6_129_a_c_c:Co-Gd-Si +mp-1069379,GdCoSi3,-8.133100186,-0.6410213610000001,0.0,-0.0737526775,GGA,I4mm,ABC3_tI10_107_a_a_ab:Co-Gd-Si,5.0,ABC3_tI10_107_a_a_ab:Co-Gd-Si +mp-1225881,GdCo4Si,-8.3098802917,-0.3207617167,0.0634884469,0.0634884469,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Gd-Si,6.0,A4BC_hP6_187_ak_c_e:Co-Gd-Si +mp-1080595,Gd2CoSi2,-9.940402882,-0.718163215,0.015399892,0.015399892,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Gd-Si,10.0,AB2C2_mC20_12_i_2i_2i:Co-Gd-Si +mp-680293,Gd3Co29(Si2B5)2,-7.7351012213,-0.4119539908,0.0,-0.020828552,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-Gd-Si,92.0,"Invalid WP multiplicities - A10B29C3D4_tP92_129_4c5i6j_2c21i14j13k_a2e_i:B-Co-Gd-Si, expected Gd5Co246(SiB12)4 to be Gd3Co29(Si2B5)2" +mp-542985,Gd(CoSi)2,-8.610101948,-0.7814231700000001,0.0,-0.1238913215,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Gd-Si +mp-601400,GdCo9Si4,-7.3141792232,-0.1890181864,0.2767526914,0.2758769425,GGA,I4/mcm,A9BC4_tI56_140_ckl_a_l:Co-Gd-Si,28.0,"Invalid WP multiplicities - A9BC4_tI56_140_c4k3l_a_l:Co-Gd-Si, expected GdCo29Si4 to be GdCo9Si4" +mp-1193590,GdCo9Si4,-7.5909319146,-0.4657708779,0.0,-0.0008757489,GGA,I4/mcm,A9BC4_tI56_140_dkl_a_l:Co-Gd-Si,28.0,A9BC4_tI56_140_dkl_a_l:Co-Gd-Si +mp-1246876,MgCrGaS4,-5.534672825,-1.1307838236,0.0652969635,0.0652969635,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Ga-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-Ga-Mg-S, expected MgCrGaS12 to be MgCrGaS4" +mp-1246787,Mg2CrGa3S8,-5.0359241986,-1.1052460148,0.0861378723,0.0861378723,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-Ga-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-Ga-Mg-S, expected Mg2CrGa3S22 to be Mg2CrGa3S8" +mp-667323,Mg(GaS2)2,-4.6441543533,-1.1866869873,0.0,-0.0127260344,GGA,C2/c,A2BC4_mC84_15_3f_3e_6f:Ga-Mg-S,42.0,A2BC4_mC84_15_3f_3e_6f:Ga-Mg-S +mp-1246286,Mg(GaS2)2,-4.5235516829,-1.0660843168,0.1206026705,0.1078766361,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Ga-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Ga-Mg-S +mp-1206963,Mg2Ga2S5,-4.6170067467,-1.2904510267,0.0053173593,0.0053173593,GGA,P-3m1,A2B2C5_hP9_164_d_d_a2d:Ga-Mg-S,9.0,A2B2C5_hP9_164_d_d_a2d:Ga-Mg-S +mp-1247148,Mg2Cr3GaS8,-6.0507057179,-1.1736058987,0.0271717882,0.0271717882,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Ga-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-Ga-Mg-S, expected Mg2Cr3GaS16 to be Mg2Cr3GaS8" +mp-1214390,Cs2Mn2Cr3O12,-7.4777011586,-1.7706357757000002,0.216214629,0.216214629,GGA+U,P2_13,A3B2C2D12_cP76_198_b_2a_2a_4b:Cr-Cs-Mn-O,76.0,A3B2C2D12_cP76_198_b_2a_2a_4b:Cr-Cs-Mn-O +mp-1227993,BaGa2SiS6,-5.153257021,-1.3313385994,0.0,-0.0044034028,GGA,P1,AB2C6D_aP10_1_a_2a_6a_a:Ba-Ga-S-Si,10.0,AB2C6D_aP10_1_a_2a_6a_a:Ba-Ga-S-Si +mp-1207686,TmTiClO3,-8.3932388133,-3.5499171077,0.0,-0.0062893525,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:Cl-O-Ti-Tm,12.0,AB3CD_mC24_12_i_3i_i_i:Cl-O-Ti-Tm +mp-1219788,PrTaTiO6,-9.6435222933,-3.6197103301,0.0,-0.0185094222,GGA,Pna2_1,A6BCD_oP36_33_6a_a_a_a:O-Pr-Ta-Ti,36.0,"Invalid WP multiplicities - A6BCD_oP36_33_16a_a_a_a:O-Pr-Ta-Ti, expected PrTaTiO16 to be PrTaTiO6" +mp-864908,MgTiIr2,-7.5681634575,-0.7750033508,0.0,-0.1301365276,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Ti,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Ti +mp-1342933,Mg2TiIrO6,-7.512110437,-2.5506485806,0.1255660348,0.1255660348,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ir-Mg-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_10e_b:Ir-Mg-O-Ti, expected Mg2TiIrO20 to be Mg2TiIrO6" +mp-557799,As2Pb(XeF6)3,-3.8767430179,-1.895658526,0.0,-0.0142081054,GGA,C2/m,A2B18CD3_mC96_12_ei_6i6j_i_abj:As-F-Pb-Xe,48.0,"Invalid WP multiplicities - A2B18CD3_mC96_12_2f2i_12i22j_i_ab2j:As-F-Pb-Xe, expected As4PbXe5F56 to be As2Pb(XeF6)3" +mp-29992,AsPbF7,-4.9781450172,-2.5612429897,0.0,-0.0730891744,GGA,P-1,AB7C_aP18_2_i_7i_i:As-F-Pb,18.0,"Invalid WP multiplicities - AB7C_aP18_2_i_12i_i:As-F-Pb, expected AsPbF12 to be AsPbF7" +mp-1113044,Cs2KLaCl6,-4.422420288,-2.5295772124,0.018240628,0.018240628,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-La,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-La +mp-1111162,Na2NiHgF6,-4.2858307270000005,-2.2660565833,0.1329795712,0.1329795712,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ni,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ni +mp-556792,LiCaCrF6,-6.2873243744,-3.5054972609,0.0,-0.0201194822,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Ca-Cr-F-Li,18.0,ABC6D_hP18_163_b_c_i_d:Ca-Cr-F-Li +mp-1932798,CaCr2F12,-5.67117472,-2.7212118913000003,0.0,-0.001145036,GGA+U,P-1,AB2C12_aP15_2_a_i_6i:Ca-Cr-F,15.0,"Invalid WP multiplicities - AB2C12_aP15_2_a_i_12i:Ca-Cr-F, expected CaCr2F24 to be CaCr2F12" +mp-1391107,CaCr2F12,-4.5792900313,-1.6293272027,1.0918846887,1.0907396527,GGA+U,P-1,AB2C12_aP15_2_a_i_6i:Ca-Cr-F,15.0,"Invalid WP multiplicities - AB2C12_aP15_2_a_i_12i:Ca-Cr-F, expected CaCr2F24 to be CaCr2F12" +mp-557519,CaCrF6,-6.18352747,-3.2925873256,0.0,-0.0474425594,GGA+U,R-3,ABC6_hR24_148_a_b_f:Ca-Cr-F,8.0,ABC6_hR24_148_a_b_f:Ca-Cr-F +mp-1205573,Ca3CrF6,-5.71346912,-2.9995970285,0.8022559570000001,0.8022559570000001,GGA+U,P-1,A3BC6_aP10_2_abe_f_3i:Ca-Cr-F,10.0,A3BC6_aP10_2_abe_f_3i:Ca-Cr-F +mp-1385157,CaCr2F10,-6.1289198054,-3.0191902288,0.0103439008,0.0103439008,GGA+U,C2,AB2C10_mC26_5_a_c_ab4c:Ca-Cr-F,13.0,AB2C10_mC26_5_a_c_ab4c:Ca-Cr-F +mp-1388114,CaCrF4,-6.7541957917,-3.5367685883,0.0,-0.0123951283,GGA+U,I4/mcm,ABC4_tI24_140_a_d_l:Ca-Cr-F,12.0,ABC4_tI24_140_a_d_l:Ca-Cr-F +mp-1372734,CaCrF5,-6.5907288061,-3.5598656364,0.0037493696,-0.0112881239,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Ca-Cr-F,28.0,ABC5_mP28_14_e_e_5e:Ca-Cr-F +mp-556748,CaCrF5,-6.5944781757,-3.5636150061,0.0,-0.0150374936,GGA+U,C2/c,ABC5_mC28_15_e_a_e2f:Ca-Cr-F,14.0,ABC5_mC28_15_e_c_e2f:Ca-Cr-F +mp-1214943,CaCr3F6,-6.820960923,-2.5775993135,0.391801587,0.391801587,GGA+U,P-1,AB3C6_aP10_2_d_bce_3i:Ca-Cr-F,10.0,AB3C6_aP10_2_d_bce_3i:Ca-Cr-F +mp-1237542,CaCr3F6,-6.800684623,-2.5573230135,0.412077887,0.412077887,GGA+U,P-1,AB3C6_aP10_2_d_bce_3i:Ca-Cr-F,10.0,AB3C6_aP10_2_d_bce_3i:Ca-Cr-F +mp-867830,RbUAuSe3,-5.5732699025,-1.2343431499,0.0,-0.0550485995,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Au-Rb-Se-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c3f_a:Au-Rb-Se-U, expected RbUAuSe8 to be RbUAuSe3" +mp-1111335,Na2AgAuF6,-3.860468471,-1.8384322315,0.200679824,0.200679824,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-Na +mp-1385921,Ca2NiN2,-6.036851227,-0.743985969,0.0776685964,0.0776685964,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ca-N-Ni,10.0,A2B2C_mC20_12_2i_2i_i:Ca-N-Ni +mp-1428795,Ca(NiN)2,-6.18952482,-0.141752202,0.374432747,0.374432747,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Ca-N-Ni,5.0,AB2C2_tP5_115_a_g_f:Ca-N-Ni +mp-28645,CaNiN,-6.1689604967000005,-0.7948833350000001,0.0,-0.1748950275,GGA,P4_2/mmc,ABC_tP6_131_e_c_b:Ca-N-Ni,6.0,ABC_tP6_131_e_c_b:Ca-N-Ni +mp-1222441,LiCa2NiN2,-5.5201166233,-0.7912417639,0.0,-0.0094795833,GGA,Pmmm,A2BC2D_oP6_47_l_a_cf_b:Ca-Li-N-Ni,12.0,A2BC2D_oP6_47_l_a_cf_b:Ca-Li-N-Ni +mp-1247456,Ca3Ni3N5,-6.3286393059,-0.4159407327,0.2662776455,0.2662776455,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ni,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ni +mp-1246203,Ca3NiN3,-5.98348729,-0.7254271336,0.1077008162,0.1077008162,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ca-N-Ni,14.0,A3B3C_hP14_176_h_h_c:Ca-N-Ni +mp-1246733,Ca5NiN4,-5.611835621,-0.696424043,0.1811004764,0.1811004764,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Ca-N-Ni,20.0,A5B4C_oP20_59_ag_ef_b:Ca-N-Ni +mp-1246169,Ca3(NiN2)2,-6.1727161517,-0.514599185,0.2628251406,0.2628251406,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ni,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ni +mp-1246156,Ca3(NiN2)2,-6.1755253325,-0.5174083658,0.2600159597,0.2600159597,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ni,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ni +mp-631534,NaSrRe2,-4.9287294625,2.0465388167,2.0465388167,2.0465388167,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Na-Re-Sr,4.0,AB2C_cF16_225_a_c_b:Na-Re-Sr +mp-1206737,NaSr2ReO6,-7.319030962,-2.6364137967,0.0448914193,0.0448914193,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Na-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Na-O-Re-Sr +mp-768918,Ce(ClO4)4,-5.2598231995,-0.8562872388,0.0,-0.03474822,GGA,Cc,AB4C16_mC84_9_a_4a_16a:Ce-Cl-O,42.0,"Invalid WP multiplicities - AB4C16_mC84_9_a_7a_32a:Ce-Cl-O, expected CeCl7O32 to be Ce(ClO4)4" +mp-1192979,Ce(ClO)3,-4.6330199679,-0.8731963580000001,0.8955530292,0.8955530292,GGA,Pnma,AB3C3_oP28_62_c_cd_cd:Ce-Cl-O,28.0,AB3C3_oP28_62_c_cd_cd:Ce-Cl-O +mp-725444,Ce(ClO)3,-4.9420509529,-1.182227343,0.5865220442,0.5865220442,GGA,Pnma,AB3C3_oP28_62_c_cd_cd:Ce-Cl-O,28.0,AB3C3_oP28_62_c_cd_cd:Ce-Cl-O +mp-22952,CeClO,-7.6496095917,-3.4068380829,0.0,-0.1090671021,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ce-Cl-O,6.0,ABC_tP6_129_c_c_a:Ce-Cl-O +mp-1200622,Ce3As2ClO7,-7.8256192498,-2.9338606411,0.1161600065,0.1161600065,GGA,P4_2nm,A2B3CD7_tP52_102_d_cd_c_b3d:As-Ce-Cl-O,52.0,A2B3CD7_tP52_102_d_cd_c_b3d:As-Ce-Cl-O +mp-768684,Ce(ClO4)3,-5.3970314762000005,-0.9695962469,0.0473445511,0.0473445511,GGA,R3c,AB3C12_hR96_161_a_b_4b:Ce-Cl-O,32.0,"Invalid WP multiplicities - AB3C12_hR96_161_a_b_21b:Ce-Cl-O, expected Ce(ClO21)3 to be Ce(ClO4)3" +mp-1214155,Ce(ClO2)3,-5.1848720375,-1.0689888973,0.3245458333,0.3245458333,GGA,P2/c,AB3C6_mP20_13_e_fg_3g:Ce-Cl-O,20.0,AB3C6_mP20_13_e_fg_3g:Ce-Cl-O +mp-1206758,Ce2Cl2O,-5.724486374,-1.6224983057,1.1434141517,1.1434141517,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ce-Cl-O,5.0,A2B2C_tP5_123_g_g_a:Ce-Cl-O +mp-1218092,Ta2NbTeI7,-5.0894236482,-0.7918117715,0.0046855952,0.0046855952,GGA,Cm,A7BC2D_mC44_8_6a4b_b_2ab_2a:I-Nb-Ta-Te,22.0,A7BC2D_mC44_8_6a4b_b_2ab_2a:I-Nb-Ta-Te +mp-1183562,CaLaO3,-7.024558736,-2.6682241123,0.5927827366,0.5927827366,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ca-La-O,5.0,ABC3_cP5_221_a_b_c:Ca-La-O +mp-674516,Ca3Zr17O37,-9.5011321056,-3.6352515325,0.1414440222,0.1414440222,GGA,R3m,A3B37C17_hR171_160_3a_37a_17a:Ca-O-Zr,57.0,A3B37C17_hR171_160_3a_37a_17a:Ca-O-Zr +mp-675372,CaZr4O9,-9.4318155011,-3.6663440153,0.0968621123,0.0968621123,GGA,C2/m,AB9C4_mC56_12_ad_9i_4i:Ca-O-Zr,28.0,"Invalid WP multiplicities - AB9C4_mC56_12_ac_17i_7i:Ca-O-Zr, expected CaZr7O17 to be CaZr4O9" +mp-554190,CaZr4O9,-9.5269805778,-3.761509092,0.0016970356,0.0016970356,GGA,C2/c,AB9C4_mC224_15_2ef_18f_2e7f:Ca-O-Zr,112.0,"Invalid WP multiplicities - AB9C4_mC224_15_3e2f_71f_4e28f:Ca-O-Zr, expected Ca7Zr60O142 to be CaZr4O9" +mp-756052,Ca3Zr2O7,-8.3751373571,-3.5635522005,0.0466724275,0.0466724275,GGA,Cmcm,A3B7C2_oC48_63_cg_c2eg_g:Ca-O-Zr,24.0,"Invalid WP multiplicities - A3B7C2_oC48_63_c2g_c4e2g_g:Ca-O-Zr, expected Ca5Zr2O13 to be Ca3Zr2O7" +mp-1227770,Ca4La2Zr4O15,-8.537336194,-3.4859143173,0.2319892486,0.2319892486,GGA,R-3m,A4B2C15D4_hR75_166_abc_c_d2h_2c:Ca-La-O-Zr,25.0,"Invalid WP multiplicities - A4B2C15D4_hR75_166_ab2c_c_3d8h_3c:Ca-La-O-Zr, expected Ca6La2Zr6O57 to be Ca4La2Zr4O15" +mp-1227065,CaLa2ZrO6,-8.384701653,-3.3741569543,0.4064798983,0.4064798983,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ca-La-O-Zr,10.0,AB2C6D_cF40_225_a_c_e_b:Ca-La-O-Zr +mp-776024,CaZrO3,-8.7242463977,-3.645573069,0.0253653768,-0.0205200428,GGA,Pba2,AB3C_oP40_32_2c_2a2b4c_2c:Ca-O-Zr,40.0,"Invalid WP multiplicities - AB3C_oP40_55_3g4h_2e2f3g4h4i_i:Ca-O-Zr, expected Ca7Zr2O19 to be CaZrO3" +mp-4571,CaZrO3,-8.7496117745,-3.6709384458,0.0,-0.0458854196,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Zr,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Zr +mp-542112,CaZrO3,-8.55771869,-3.4790453613,0.1918930845,0.1460076649,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Zr,5.0,AB3C_cP5_221_a_c_b:Ca-O-Zr +mp-1111212,K2RbInCl6,-3.638804762,-1.9343811963,0.0748510863,0.0748510863,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Rb +mp-989529,KRb2InCl6,-3.689084209,-1.9976471308,0.0,-0.0048006885,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-In-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-In-K-Rb +mp-1222815,LaGd(BrO)2,-8.7099343517,-3.3746737804,0.0158109025,0.0158109025,GGA,P4mm,A2BCD2_tP6_99_ab_a_b_c:Br-Gd-La-O,6.0,A2BCD2_tP6_99_ab_a_b_c:Br-Gd-La-O +mp-1225825,La3Gd(BrO)4,-7.9752794367,-3.4016951267,0.0136749712,0.0136749712,GGA,P4mm,A4BC3D4_tP12_99_2a2b_a_a2b_2c:Br-Gd-La-O,12.0,"Invalid WP multiplicities - A4BC3D4_tP12_99_2a2b_a_a2b_4c:Br-Gd-La-O, expected La3Gd(BrO2)4 to be La3Gd(BrO)4" +mp-1222951,LaGd3(BrO)4,-9.4572745367,-3.3603377042,0.0052615637,0.0052615637,GGA,Amm2,A4B3CD4_oC24_38_2ae_ae_a_2bd:Br-Gd-La-O,12.0,A4B3CD4_oC24_38_2ae_ae_a_2bd:Br-Gd-La-O +mp-1209062,Sr3Yb2(GeO4)3,-6.8354167375,-2.7665644865,0.0178545716,0.0178545716,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Yb,,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Yb +mp-1213699,CsAlZnF6,-5.2573592964,-3.3274042278,0.0,-0.0311496574,GGA,Pnma,ABC6D_oP36_62_a_c_2c2d_c:Al-Cs-F-Zn,36.0,ABC6D_oP36_62_a_c_2c2d_c:Al-Cs-F-Zn +mp-671957,NaZr2CuF11,-5.2284773933,-2.3255839356,1.1449429313,1.1279399704,GGA,P-1,AB11CD2_aP15_2_a_e5i_b_i:Cu-F-Na-Zr,15.0,"Invalid WP multiplicities - AB11CD2_aP15_2_a_e9i_b_i:Cu-F-Na-Zr, expected NaZr2CuF19 to be NaZr2CuF11" +mp-559126,NaZr2CuF11,-6.3734203247,-3.4705268669,0.0,-0.0170029609,GGA,P-1,AB11CD2_aP15_2_c_d5i_b_i:Cu-F-Na-Zr,15.0,"Invalid WP multiplicities - AB11CD2_aP15_2_c_d9i_b_i:Cu-F-Na-Zr, expected NaZr2CuF19 to be NaZr2CuF11" +mp-677041,ZrCuF3,-6.1140878515,-2.437819011,0.6019228574000001,0.6019228574000001,GGA,P1,AB3C_aP20_1_4a_12a_4a:Cu-F-Zr,20.0,AB3C_aP20_1_4a_12a_4a:Cu-F-Zr +mp-560865,ZrCuF6,-3.6150150375,-0.6005423994,2.5808696128,2.5808696128,GGA,P-1,AB6C_aP8_2_a_3i_e:Cu-F-Zr,8.0,"Invalid WP multiplicities - AB6C_aP8_2_a_5i_e:Cu-F-Zr, expected ZrCuF10 to be ZrCuF6" +mp-1436582,ZrCuF6,-5.0399046537,-2.0254320156,1.1559799966,1.1559799966,GGA,P-1,AB6C_aP8_2_a_3i_e:Cu-F-Zr,8.0,"Invalid WP multiplicities - AB6C_aP8_2_a_5i_e:Cu-F-Zr, expected ZrCuF10 to be ZrCuF6" +mp-2619703,ZrCuF6,-6.19238958,-3.1779169419,0.0034950703,0.0034950703,GGA,C2/m,AB6C_mC16_12_a_g2i_b:Cu-F-Zr,8.0,"Invalid WP multiplicities - AB6C_mC16_12_a_2g3i_b:Cu-F-Zr, expected ZrCuF10 to be ZrCuF6" +mp-8096,ZrCuF6,-6.1840322487,-3.1695596106,0.0118524016,0.0118524016,GGA,R-3,AB6C_hR24_148_a_f_b:Cu-F-Zr,8.0,AB6C_hR24_148_a_f_b:Cu-F-Zr +mp-1215272,ZrCuF6,-6.1849560063,-3.1704833681,0.0109286441,0.0109286441,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Cu-F-Zr,8.0,AB6C_cF32_225_a_e_b:Cu-F-Zr +mp-1207697,Zr3CuF6,-6.389569487,-2.2684512505,0.7685326153,0.7685326153,GGA,P-1,AB6C3_aP10_2_e_3i_bcd:Cu-F-Zr,10.0,AB6C3_aP10_2_e_3i_bcd:Cu-F-Zr +mp-1190367,SrCdAs2O7,-6.3402434945,-2.107748858,0.0,-0.0008576986,GGA,P-1,A2BC7D_aP22_2_2i_i_7i_i:As-Cd-O-Sr,22.0,A2BC7D_aP22_2_2i_i_7i_i:As-Cd-O-Sr +mp-863261,Sr2CdAs2,-3.678252174,-0.9542294787,0.0,-0.0716188262,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:As-Cd-Sr,10.0,"Invalid WP multiplicities - A2BC2_oC20_36_3a_a_3a:As-Cd-Sr, expected Sr3CdAs3 to be Sr2CdAs2" +mp-7771,Sr(CdAs)2,-3.195508164,-0.6248062073,0.0,-0.1014345551,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Cd-Sr,5.0,A2B2C_hP5_164_d_d_a:As-Cd-Sr +mp-647305,SiAg5ClO4,-4.921820506,-1.1742396376,0.0266454104,0.0266454104,GGA,P2_1/c,A5BC4D_mP176_14_20e_4e_16e_4e:Ag-Cl-O-Si,176.0,"Invalid WP multiplicities - A5BC4D_mP176_14_74e_12e_59e_11e:Ag-Cl-O-Si, expected Si11Ag74Cl12O59 to be SiAg5ClO4" +mp-554507,Na2AlNiF7,-5.4224479286000005,-3.0996192132,0.0626112547,0.0626112547,GGA+U,Imma,AB7C2D_oI44_74_a_ehj_bc_d:Al-F-Na-Ni,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_2e3h3j_bc_d:Al-F-Na-Ni, expected Na2AlNiF20 to be Na2AlNiF7" +mp-1213961,Ce2CuTe2O,-5.2810167767,-0.7479025303,1.2844523506,1.2844523506,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ce-Cu-O-Te,6.0,A2BCD2_tP6_123_g_a_b_g:Ce-Cu-O-Te +mp-1079385,CeCuTeO,-6.59060863,-2.0600360226,0.1163697593,0.1163697593,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ce-Cu-O-Te,8.0,ABCD_tP8_129_c_a_b_c:Ce-Cu-O-Te +mp-13311,SrAlGe,-3.8230921,-0.4703930539,0.0,-0.01530698,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ge-Sr,3.0,ABC_hP3_187_a_c_f:Al-Ge-Sr +mp-1218856,Sr2Al7Ge,-3.676434525,-0.2543299678,0.018498155,0.018498155,GGA,P4mm,A7BC2_tP10_99_a2b2c_a_ab:Al-Ge-Sr,10.0,"Invalid WP multiplicities - A7BC2_tP10_99_a2b4c_a_ab:Al-Ge-Sr, expected Sr2Al11Ge to be Sr2Al7Ge" +mp-644229,Sr(AlH)2,-3.559685784,-0.3664663433,0.0316882649,0.0316882649,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-H-Sr,5.0,A2B2C_hP5_164_d_d_a:Al-H-Sr +mp-568450,SrAlH5,-3.6371546107,-0.4373403952,0.0,-0.023826095,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Al-H-Sr,28.0,AB5C_oP28_19_a_5a_a:Al-H-Sr +mp-10671,Sr3(AlGe)2,-3.61079783,-0.4956995829,0.0,-0.0288138929,GGA,Immm,A2B2C3_oI14_71_e_f_af:Al-Ge-Sr,7.0,"Invalid WP multiplicities - A2B2C3_oI14_71_e_f_a2f:Al-Ge-Sr, expected Sr5(AlGe)2 to be Sr3(AlGe)2" +mp-571216,Sr3(AlGe2)2,-3.9513686611,-0.5011749456,0.0,-0.00610669,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Al-Ge-Sr,9.0,"Invalid WP multiplicities - A2B4C3_mC18_12_i_2i_a2i:Al-Ge-Sr, expected Sr5(AlGe2)2 to be Sr3(AlGe2)2" +mp-571416,Sr14Al8Ge3,-3.0304164218,-0.3309524797,0.0,-0.0065309739,GGA,R-3,A8B3C14_hR150_148_2c2f_f_abc4f:Al-Ge-Sr,50.0,"Invalid WP multiplicities - A8B3C14_hR150_148_4c11f_f_abc18f:Al-Ge-Sr, expected Sr56Al37Ge3 to be Sr14Al8Ge3" +mp-1218857,Sr2Al3Ge,-3.5412158467,-0.3347588047,0.0511939617,0.0511939617,GGA,P-6m2,A3BC2_hP6_187_abc_d_i:Al-Ge-Sr,6.0,A3BC2_hP6_187_abc_d_i:Al-Ge-Sr +mp-1068011,SrAlH3,-2.904714874,0.2179346097,0.6990129103,0.6990129103,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-H-Sr,5.0,AB3C_cP5_221_a_c_b:Al-H-Sr +mp-697977,Sr2AlH7,-3.609904652,-0.5225401468,0.0,-0.0206127537,GGA,C2/c,AB7C2_mC80_15_f_7f_2f:Al-H-Sr,40.0,AB7C2_mC80_15_f_7f_2f:Al-H-Sr +mp-980057,SrAlGeH,-3.9092531925,-0.5465473967,0.0,-0.0553167378,GGA,P3m1,ABCD_hP4_156_a_b_a_c:Al-Ge-H-Sr,4.0,ABCD_hP4_156_a_b_a_c:Al-Ge-H-Sr +mp-1070483,Sr(AlGe)2,-4.079730986,-0.3943908213,0.0,-0.093685854,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Ge-Sr,5.0,A2B2C_hP5_164_d_d_a:Al-Ge-Sr +mp-1206725,LiAlPd,-4.15709144,-0.5456312711,0.1154856108,0.1154856108,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Li-Pd,3.0,ABC_hP3_187_a_c_f:Al-Li-Pd +mp-867820,LiAlPd2,-4.8189241675000005,-0.8153585883000001,0.0,-0.1310605656,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Al-Li-Pd +mp-30816,Li2AlPd,-3.7165759725,-0.5307501292,0.0,-0.0465499569,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Li-Pd,4.0,AB2C_cF16_216_a_bc_d:Al-Li-Pd +mp-9055,LiAlPdF6,-5.3622843278,-2.8841449598,0.0198177354,0.0198177354,GGA,P-31c,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Pd,18.0,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Pd +mp-30817,LiAl2Pd,-4.2822310125,-0.6372419283,0.0,-0.0855913825,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Li-Pd,4.0,A2BC_cF16_225_c_a_b:Al-Li-Pd +mp-541281,BaNdGaO4,-7.2926880032,-3.0781203975,0.0170021091,0.0170021091,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:Ba-Ga-Nd-O,28.0,ABCD4_oP28_19_a_a_a_4a:Ba-Ga-Nd-O +mp-1214555,Ba6Nd2Ga4O15,-6.920785117,-2.9443829221,0.0,-0.0104295464,GGA,P2/c,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Nd-O,54.0,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Nd-O +mp-558130,MnBiS2Cl,-5.573446076,-0.9486579128,0.0,-0.0075723932,GGA,Pnma,ABCD2_oP20_62_c_c_c_2c:Bi-Cl-Mn-S,20.0,"Invalid WP multiplicities - ABCD2_oP20_62_c_c_c_7c:Bi-Cl-Mn-S, expected MnBiS7Cl to be MnBiS2Cl" +mp-1194124,YbMoBrO4,-7.1080598157,-2.290196735,0.0802302,0.0802302,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Yb,,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Yb +mp-760635,Yb4Br6O,-4.4612251755,-2.6045622835,0.1117728127,0.1117728127,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:Br-O-Yb,,"Invalid WP multiplicities - A6BC4_tP22_137_2d3f_a_g:Br-O-Yb, expected Yb4Br16O to be Yb4Br6O" +mp-850213,Yb4Br6O,-4.5684048132,-2.7117419212,0.004593175,0.004593175,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Br-O-Yb,,"Invalid WP multiplicities - A6BC4_hP22_186_9c_b_2b3c:Br-O-Yb, expected Yb11Br27O to be Yb4Br6O" +mp-601693,YbBrO,-5.0853376133,-2.4055625062,0.0980878349,0.0980878349,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Yb,,ABC_tP6_129_c_a_c:Br-O-Yb +mp-1206913,Yb2Br2O,-3.90375082,-1.6773584337,1.282713742,1.282713742,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Yb,,A2BC2_tP5_123_g_a_g:Br-O-Yb +mp-1105518,Ca2CrOsO6,-7.7060017045,-2.2488270117,0.258297171,0.258297171,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Cr-O-Os,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Cr-O-Os +mp-767456,Li3Ta5Cu2O15,-8.739950622,-2.8433745917,0.047293218,0.047293218,GGA,R3,A2B3C15D5_hR150_146_4a_6a_10b_10a:Cu-Li-O-Ta,50.0,"Invalid WP multiplicities - A2B3C15D5_hR150_146_4a_6a_28b_10a:Cu-Li-O-Ta, expected Li3Ta5(CuO21)2 to be Li3Ta5Cu2O15" +mp-1222423,LiTa2CuO6,-8.711038233,-2.7706565266,0.0606902033,0.0606902033,GGA,R3,ABC6D2_hR30_146_a_a_2b_2a:Cu-Li-O-Ta,10.0,ABC6D2_hR30_146_a_a_2b_2a:Cu-Li-O-Ta +mp-755367,LiTa2CuO6,-8.707889837,-2.7675081306,0.0638385993,0.0638385993,GGA,R32,ABC6D2_hR30_155_a_b_de_c:Cu-Li-O-Ta,10.0,ABC6D2_hR30_155_a_b_de_c:Cu-Li-O-Ta +mp-29164,SrBiO3,-6.345887718,-2.2718779746,0.0,-0.0270698612,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Bi-O-Sr,20.0,AB3C_mP20_14_ab_3e_e:Bi-O-Sr +mp-760510,Sr2Bi2O5,-6.3421644772,-2.3651190636,0.0005193164,-0.0273777861,GGA,P2_1/m,A2B5C2_mP18_11_2e_e2f_2e:Bi-O-Sr,18.0,"Invalid WP multiplicities - A2B5C2_mP18_11_2e_2e3f_2e:Bi-O-Sr, expected SrBiO4 to be Sr2Bi2O5" +mp-1218861,Sr2Bi2O5,-6.2060870544,-2.2290416408,0.1365967392,0.1086996367,GGA,Amm2,A2B5C2_oC18_38_ab_a2c_ab:Bi-O-Sr,,"Invalid WP multiplicities - A2B5C2_oC18_38_ab_a4c_ab:Bi-O-Sr, expected Sr2Bi2O9 to be Sr2Bi2O5" +mp-23357,Sr2Bi2O5,-6.3426837936,-2.36563838,0.0,-0.0278971025,GGA,Pnma,A2B5C2_oP36_62_2c_c2d_2c:Bi-O-Sr,36.0,"Invalid WP multiplicities - A2B5C2_oP36_62_4c_4c12d_2c:Bi-O-Sr, expected Sr(BiO7)2 to be Sr2Bi2O5" +mp-1191534,Sr4BiO7,-6.2855900283,-2.5168163682,0.0338437067,0.0338437067,GGA,P2_1,AB7C4_mP24_4_a_7a_4a:Bi-O-Sr,24.0,AB7C4_mP24_4_a_7a_4a:Bi-O-Sr +mp-753357,SrBi5O9,-6.1564167353,-1.7956075684,0.0698908653,0.0698908653,GGA,P1,A5B9C_aP15_1_5a_9a_a:Bi-O-Sr,15.0,A5B9C_aP15_1_5a_9a_a:Bi-O-Sr +mp-753517,SrBi5O9,-6.1393034653,-1.7784942984,0.0870041353,0.0870041353,GGA,P1,A5B9C_aP15_1_5a_9a_a:Bi-O-Sr,15.0,A5B9C_aP15_1_5a_9a_a:Bi-O-Sr +mp-28476,SrBiSe3,-4.5096661205,-1.3061227172,0.0,-0.017043492,GGA,P2_12_12_1,AB3C_oP80_19_4a_12a_4a:Bi-Se-Sr,80.0,"Invalid WP multiplicities - AB3C_oP80_19_4a_15a_4a:Bi-Se-Sr, expected Sr4Bi4Se15 to be SrBiSe3" +mp-758327,Sr7Bi23O40,-6.1698557029,-1.9123520941,0.0510149894,0.0510149894,GGA,C2/m,A23B40C7_mC140_12_cg2i4j_4i8j_bg2h:Bi-O-Sr,70.0,"Invalid WP multiplicities - A23B40C7_mC140_12_c2g4i16j_8i28j_b2g2h:Bi-O-Sr, expected Sr9Bi77O128 to be Sr7Bi23O40" +mp-766135,Sr6Bi2O11,-6.2265147905,-2.4248561166,0.1246949984,0.1246949984,GGA,P2_1/m,A2B11C6_mP38_11_2e_7e2f_2e2f:Bi-O-Sr,38.0,"Invalid WP multiplicities - A2B11C6_mP38_11_4e_13e5f_4e6f:Bi-O-Sr, expected Sr16Bi4O23 to be Sr6Bi2O11" +mp-675103,Sr6Bi2O11,-6.2692243842,-2.4675657103,0.0819854047,0.0819854047,GGA,P4/nmm,A2B11C6_tP38_129_ac_cf2i_bcj:Bi-O-Sr,38.0,"Invalid WP multiplicities - A2B11C6_tP38_129_2a2c_c2f9i_2b2c3j:Bi-O-Sr, expected Sr16Bi4O41 to be Sr6Bi2O11" +mp-33444,Sr5(BiO4)3,-6.3568929355,-2.3904329759,0.0,-0.0478059645,GGA,P-1,A3B12C5_aP20_2_abe_6i_h2i:Bi-O-Sr,20.0,"Invalid WP multiplicities - A3B12C5_aP20_2_abe_11i_h3i:Bi-O-Sr, expected Sr7Bi3O22 to be Sr5(BiO4)3" +mp-1218431,Sr5(BiO4)3,-6.2147755665,-2.2483156069,0.142117369,0.0943114045,GGA,P4/mmm,A3B12C5_tP20_123_abc_ghjk_di:Bi-O-Sr,20.0,"Invalid WP multiplicities - A3B12C5_tP20_123_abc_2g2h4j4k_di:Bi-O-Sr, expected Sr5Bi3O40 to be Sr5(BiO4)3" +mp-1195288,Sr3Bi2Se6O19,-6.036542671,-1.779475571,0.1056123614,0.1056123614,GGA,P2_1/m,A2B19C6D3_mP60_11_f_3e8f_2e2f_ef:Bi-O-Se-Sr,60.0,A2B19C6D3_mP60_11_f_3e8f_2e2f_ef:Bi-O-Se-Sr +mp-28397,Sr4Bi6Se13,-4.5152279593,-1.2435863157,0.0053332037,0.0053332037,GGA,P2_1/m,A6B13C4_mP46_11_6e_13e_4e:Bi-Se-Sr,46.0,A6B13C4_mP46_11_6e_13e_4e:Bi-Se-Sr +mp-1218382,Sr4Bi2O,-4.3501195071,-1.5807422522,0.0,-0.0621553464,GGA,I4mm,A2BC4_tI14_107_2a_a_2ab:Bi-O-Sr,7.0,A2BC4_tI14_107_2a_a_2ab:Bi-O-Sr +mp-1025351,Sr4Bi2O,-4.3495124514,-1.5801351965,0.0006070557,-0.0615482907,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Bi-O-Sr,7.0,A2BC4_tI14_139_e_a_ce:Bi-O-Sr +mp-675248,Sr4Bi14O25,-5.4174329423,-1.133897142,0.8305563463000001,0.8305563463000001,GGA,P1,A14B25C4_aP43_1_14a_25a_4a:Bi-O-Sr,43.0,A14B25C4_aP43_1_14a_25a_4a:Bi-O-Sr +mp-29048,Sr(BiO2)2,-6.2916348671,-2.1263167874,0.0,-0.011867592,GGA,C2/m,A2B4C_mC28_12_2i_4i_i:Bi-O-Sr,14.0,A2B4C_mC28_12_2i_4i_i:Bi-O-Sr +mp-1986938,Sr2Bi2Se3O2,-5.3369343356,-1.8434813331,0.0,-0.0545943148,GGA,C2/m,A2B2C3D2_mC18_12_i_i_ai_i:Bi-O-Se-Sr,9.0,A2B2C3D2_mC18_12_i_i_ai_i:Bi-O-Se-Sr +mp-1105110,Sr2Bi2Se3O2,-5.3357511367,-1.8422981342,0.0011831989,-0.0534111159,GGA,P2_1/c,A2B2C3D2_mP18_14_e_e_ae_e:Bi-O-Se-Sr,18.0,A2B2C3D2_mC18_12_i_i_ai_i:Bi-O-Se-Sr +mp-16531,BaLa2FeS5,-6.5990080828,-2.0497570056,0.0222132933,0.0222132933,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-La-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Fe-La-S +mp-552008,DyBi2ClO4,-6.7216400537,-2.4812579781,0.0,-0.0587842355,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Dy-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Dy-O +mp-562771,Ba6Ga2Co11O26,-6.8342271511,-1.8481061751,0.0741087056,0.0741087056,GGA+U,P-3m1,A6B11C2D26_hP45_164_c2d_abc2de_d_d4i:Ba-Co-Ga-O,45.0,"Invalid WP multiplicities - A6B11C2D26_hP45_164_2c4d_ab2c4d3e_d_2d19i:Ba-Co-Ga-O, expected Ba12Ga2Co23O118 to be Ba6Ga2Co11O26" +mp-1017350,Mg6SiMo,-3.0375150513,0.1965660037,0.3183699876,0.3183699876,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Si, expected Mg12SiMo to be Mg6SiMo" +mp-1017359,Mg6SiMo,-3.0684875387,0.1655935162,0.2873975001,0.2873975001,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Si, expected Mg12SiMo to be Mg6SiMo" +mp-2230886,MgSi4(MoO6)2,-8.3296650242,-2.8373957124,0.0412267443,0.0412267443,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mo-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mo-O-Si +mp-2230316,MgSi4(MoO6)2,-8.2165739137,-2.7243046018,0.1543178549,0.1543178549,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mo-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mo-O-Si +mp-1327088,Mg3Si3(MoO6)2,-7.9027783004,-2.7963603506,0.0857888077,0.0857888077,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Mg-Mo-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Mg-Mo-O-Si +mp-1026702,Mg14SiMo,-2.3021079656,0.1150725869,0.1859700177,0.1859700177,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Si, expected Mg18SiMo to be Mg14SiMo" +mp-1026684,Mg14SiMo,-2.3141151844,0.1030653681,0.1739627989,0.1739627989,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Si, expected Mg26SiMo to be Mg14SiMo" +mp-1248826,Mg3Si4(MoO7)2,-7.9062176043,-2.7998239327,0.1326577818,0.1326577818,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Mg-Mo-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Mg-Mo-O-Si, expected Mg3Si5MoO27 to be Mg3Si4(MoO7)2" +mp-505238,EuTiAgO4,-8.4908692411,-2.6663257175,0.0866051175,0.0866051175,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Ag-Eu-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Ag-Eu-O-Ti +mp-1178345,EuAgO2,-7.875723365,-2.1299895585,0.0041213737,-0.0181408608,GGA,C2/m,ABC2_mC8_12_a_d_i:Ag-Eu-O,4.0,ABC2_mC8_12_a_c_i:Ag-Eu-O +mp-756690,EuAgO2,-7.8798447388,-2.1341109323,0.0,-0.0222622345,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Eu-O,8.0,ABC2_hP8_194_c_a_f:Ag-Eu-O +mp-1077622,EuAgO3,-7.10164906,-1.5157242726,0.2666181239,0.2666181239,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ag-Eu-O,5.0,ABC3_cP5_221_b_a_c:Ag-Eu-O +mp-1099927,Eu2Ag2O5,-7.4517245733,-1.7947735552,0.1728822754,0.1728822754,GGA,Ima2,A2B2C5_oI36_46_ab_c_b2c:Ag-Eu-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Ag-Eu-O +mp-1220286,Nd3GdAl4O12,-8.80961371,-3.6734570904,0.0063675316,0.0063675316,GGA,Pm,A4BC3D12_mP20_6_2c_a_a2b_2a2b4c:Al-Gd-Nd-O,20.0,"Invalid WP multiplicities - A4BC3D12_mP20_6_4c_a_a2b_2a2b8c:Al-Gd-Nd-O, expected Nd3GdAl8O20 to be Nd3GdAl4O12" +mp-1112834,Cs2LiNdI6,-3.435626035,-1.7048187207,0.0,-0.019632151,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Nd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Nd +mp-1214770,AuBr4N,-2.2241069958,0.746308045,1.1595946225,1.1595946225,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Au-Br-N,12.0,AB4C_mP12_14_a_2e_d:Au-Br-N +mp-1214844,Au3Br8N3,-2.6510328339,0.7243498386,1.1989390428,1.1989390428,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-Br-N,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-Br-N +mp-1182544,CoBr3N5,-5.114739475,0.8241357928,1.0681616567,1.0681616567,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Br-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Br-Co-N +mp-1196610,CoBr3N5,-5.2603810425,0.6784942253,0.9225200892,0.9225200892,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Br-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Br-Co-N +mp-1201113,CoBr3N5,-5.0928143339,0.8460609339,1.0900867978,1.0900867978,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Br-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Br-Co-N +mp-1204814,CoBr3N5,-4.4870289411,1.4518463267,1.6958721906,1.6958721906,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Br-Co-N,36.0,A3BC5_oP36_62_cd_c_3cd:Br-Co-N +mp-1182317,AuBr3N2,-3.0456492417,1.055343565,1.4686301425,1.4686301425,GGA,C2/m,AB3C2_mC12_12_a_di_i:Au-Br-N,6.0,AB3C2_mC12_12_a_ci_i:Au-Br-N +mp-1193650,CoAu(BrN)6,-4.9947510668,-0.0147982579,0.3191983307,0.3191983307,GGA,P2_1/c,AB6CD6_mP28_14_a_3e_d_3e:Au-Br-Co-N,28.0,AB6CD6_mP28_14_a_3e_d_3e:Au-Br-Co-N +mp-1208515,Tb2Be2SiO7,-8.315660195,-3.5823521168,0.0,-0.0239377571,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Tb,24.0,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Tb +mp-1219603,RbCrCuF6,-5.5803063917,-2.6690106119,0.0,-0.0094360074,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_e:Cr-Cu-F-Rb,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_e:Cr-Cu-F-Rb, expected RbCrCuF12 to be RbCrCuF6" +mp-1213069,Fe3Pb5F19,-5.6465714663,-2.6728159344,0.0,-0.0035441064,GGA+U,I4cm,A19B3C5_tI108_108_a3c3d_ac_bd:F-Fe-Pb,54.0,A19B3C5_tI108_108_a3c3d_ac_bd:F-Fe-Pb +mp-1210072,NaFe2PbF9,-5.7402987112,-2.7265659811000003,0.0,-0.0019775369,GGA+U,C2/c,A9B2CD_mC52_15_e4f_ac_d_e:F-Fe-Na-Pb,26.0,A9B2CD_mC52_15_e4f_ac_b_e:F-Fe-Na-Pb +mp-28700,Fe2Pb3F12,-5.6694244785,-2.6684991115,0.0027089122,0.0027089122,GGA+U,P-1,A12B2C3_aP34_2_12i_2i_3i:F-Fe-Pb,34.0,A12B2C3_aP34_2_12i_2i_3i:F-Fe-Pb +mp-21679,Fe7Pb7F34,-5.7924800392,-2.6618766464,0.000772886,0.000772886,GGA+U,C2/m,A34B7C7_mC96_12_3i7j_aij_dij:F-Fe-Pb,48.0,A34B7C7_mC96_12_3i7j_aij_dij:F-Fe-Pb +mp-735822,Fe3Pb8F24,-5.5511800834,-2.665844786,0.0038943507,0.0038943507,GGA+U,P-1,A24B3C8_aP35_2_12i_ai_4i:F-Fe-Pb,35.0,A24B3C8_aP35_2_12i_ai_4i:F-Fe-Pb +mp-723017,Se(Br3N)2,-2.5156512622,0.7606899942,1.170297149,1.170297149,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Se,9.0,A6B2C_cF36_225_e_c_a:Br-N-Se +mp-605821,Nd3SeBrN2,-6.983694465,-1.8370699,0.0417388629,0.0417388629,GGA,Pnma,AB2C3D_oP28_62_c_2c_3c_c:Br-N-Nd-Se,28.0,"Invalid WP multiplicities - AB2C3D_oP28_62_c_5c_9c_c:Br-N-Nd-Se, expected Nd9SeBrN5 to be Nd3SeBrN2" +mp-30292,Nd4Se3N2,-7.1016037333,-1.964568843,0.0,-0.0333573856,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:N-Nd-Se,18.0,"Invalid WP multiplicities - A2B4C3_mC36_15_f_2f_2e3f:N-Nd-Se, expected Nd2Se4N to be Nd4Se3N2" +mp-1209975,Nd3Se3N,-6.7770854057,-2.0444180264,0.0,-0.0084620979,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-Nd-Se,28.0,AB3C3_oP28_62_c_3c_3c:N-Nd-Se +mp-29123,Se2Br3N,-3.55112886,-0.2198950483,0.2409130009,0.2409130009,GGA,Pca2_1,A3BC2_oP48_29_6a_2a_4a:Br-N-Se,48.0,"Invalid WP multiplicities - A3BC2_oP48_29_6a_2a_6a:Br-N-Se, expected Se3Br3N to be Se2Br3N" +mp-989594,Cs2NaGaH6,-2.865800009,-0.216021776,0.0725067213,0.0725067213,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-H-Na,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-H-Na +mp-23918,NaGaH4,-3.2008837408,-0.2139628248,0.0,-0.1156066369,GGA,Cmcm,AB4C_oC24_63_c_fg_c:Ga-H-Na,12.0,AB4C_oC24_63_c_fg_c:Ga-H-Na +mp-1079871,Cs2KSmCl6,-4.376849846,-2.5057488674,0.0,-0.0207397247,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sm +mp-1113705,Rb2LiRuF6,-5.099160419,-2.6378336833,0.0,-0.0087094623,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ru +mp-1229022,CsCrNiF6,-5.9575110283,-2.8689043253,0.0,-0.0301698898,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Cr-Cs-F-Ni,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Cr-Cs-F-Ni, expected CsCrNiF12 to be CsCrNiF6" +mp-1225950,CsCrFeF6,-6.3473864639,-2.959903702,0.0,-0.0302336048,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Cr-Cs-F-Fe,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Cr-Cs-F-Fe, expected CsCrFeF12 to be CsCrFeF6" +mp-5538,YSnPd2,-6.0828650475,-0.8739134004,0.0,-0.0154428543,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Y,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Y +mp-1215984,YTm3(SnPd2)4,-5.7174123619,-0.8817049067,0.0098121863,0.0098121863,GGA,R-3m,A8B4C3D_hR48_166_4c_2c_ac_b:Pd-Sn-Tm-Y,16.0,"Invalid WP multiplicities - A8B4C3D_hR48_166_7c_2c_a2c_b:Pd-Sn-Tm-Y, expected YTm5(Sn2Pd7)2 to be YTm3(SnPd2)4" +mp-1097416,Y2SnPd,-3.860611,1.6699879729,2.532728318,2.532728318,GGA,Immm,ABC2_oI8_71_a_b_e:Pd-Sn-Y,4.0,ABC2_oI8_71_a_b_e:Pd-Sn-Y +mp-1078911,TmSnPd,-5.4787926056,-0.9236962428,0.0,-0.1032913788,GGA,P-62m,ABC_hP9_189_ad_g_f:Pd-Sn-Tm,9.0,ABC_hP9_189_ad_g_f:Pd-Sn-Tm +mp-1095628,YSnPd,-6.1572961775,-0.9386545847,0.0,-0.1049237862,GGA,Pnma,ABC_oP12_62_c_c_c:Pd-Sn-Y,12.0,ABC_oP12_62_c_c_c:Pd-Sn-Y +mp-3942,TmSnPd2,-5.608677715,-0.8973849904000001,0.0,-0.037958122,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pd-Sn-Tm,4.0,A2BC_cF16_225_c_a_b:Pd-Sn-Tm +mp-680706,Y13Sn31Pd40,-5.7110312502,-0.7639345314,0.0,-0.027385929,GGA,P6/mmm,A40B31C13_hP168_191_djlm2oqr_cij2k2op_elmn:Pd-Sn-Y,168.0,"Invalid WP multiplicities - A40B31C13_hP168_191_2d6j6l5m20o11q19r_2c6i6j10k17o10p_2e4l6m5n:Pd-Sn-Y, expected Y62Sn230Pd467 to be Y13Sn31Pd40" +mp-1114118,Rb2NaInI6,-2.7581784330000003,-1.2706309062,0.0769633177,0.0769633177,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-In-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-In-Na-Rb +mp-1112510,Cs2RbTlI6,-2.63338909,-1.2359710837,0.1014506248,0.1014506248,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Tl +mp-1096526,CsRbI2,-2.5559741575,-1.3503068714,0.390658315,0.390658315,GGA,Immm,AB2C_oI8_71_a_e_b:Cs-I-Rb,4.0,AB2C_oI8_71_a_e_b:Cs-I-Rb +mp-1209848,Nd2Pd2O5,-7.4628940167,-2.5040604565,0.0,-0.0318518157,GGA,P4_2/m,A2B5C2_tP18_84_j_ek_j:Nd-O-Pd,18.0,A2B5C2_tP18_84_j_ek_j:Nd-O-Pd +mp-29791,Nd4PdO7,-8.1917769596,-3.2851692497,0.0177976201,0.0177976201,GGA,P-1,A4B7C_aP24_2_4i_7i_ab:Nd-O-Pd,24.0,A4B7C_aP24_2_4i_7i_ab:Nd-O-Pd +mp-15051,Nd(PdO2)2,-6.9347639879,-1.9469545739,0.0,-0.0681978593,GGA,I4_1/a,AB4C2_tI28_88_a_f_d:Nd-O-Pd,14.0,AB4C2_tI28_88_a_f_d:Nd-O-Pd +mp-8514,BaNd2PdO5,-7.5710126583,-2.9745020837,0.0,-0.011664698,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Nd-O-Pd,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-Nd-O-Pd +mp-1025319,Nd2PdO4,-7.5006286814,-2.5716384643,0.3889399427,0.3889399427,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Nd-O-Pd,7.0,A2B4C_tI14_139_e_ce_a:Nd-O-Pd +mp-1210248,Nd2PdO4,-7.4004635179,-2.4714733007,0.4891051062,0.4891051062,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Nd-O-Pd,14.0,A2B4C_cF56_227_c_e_b:Nd-O-Pd +mp-16785,Pu(TeO3)2,-7.7378337444,-2.1562134795,0.0576915236,0.0576915236,GGA,P2_1/c,A6BC2_mP36_14_6e_e_2e:O-Pu-Te,36.0,A6BC2_mP36_14_6e_e_2e:O-Pu-Te +mp-1206890,Pu2TeO2,-11.206415456,-2.8919434608000003,0.0,-0.1245670325,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:O-Pu-Te,5.0,A2B2C_tI10_139_d_e_a:O-Pu-Te +mp-1197627,Pu2Te4Cl2O11,-7.3272474068,-2.1051658607,0.0188834903,0.0188834903,GGA,P-1,A2B11C2D4_aP38_2_2i_11i_2i_4i:Cl-O-Pu-Te,38.0,A2B11C2D4_aP38_2_2i_11i_2i_4i:Cl-O-Pu-Te +mp-1212317,NaEu(ReO5)4,-7.7914167842,-1.6263625512000002,0.3139070495,0.3139070495,GGA,P-4n2,ABC20D4_tP52_118_c_a_5i_i:Eu-Na-O-Re,52.0,ABC20D4_tP52_118_c_a_5i_i:Eu-Na-O-Re +mp-1219278,ScSb3Pb4O13,-6.7358989329,-2.0750887257,0.0,-0.0304278132,GGA,R3m,A13B4C3D_hR63_160_a4b_ab_b_a:O-Pb-Sb-Sc,21.0,"Invalid WP multiplicities - A13B4C3D_hR63_160_a10b_ab_b_a:O-Pb-Sb-Sc, expected ScSb3Pb4O31 to be ScSb3Pb4O13" +mp-1219286,ScSb(PbO3)2,-7.026373082,-2.2696834068,0.0404230546,0.0404230546,GGA,Imm2,A6B2CD_oI20_44_c2d_c_a_b:O-Pb-Sb-Sc,10.0,"Invalid WP multiplicities - A6B2CD_oI20_44_2c2d_c_a_b:O-Pb-Sb-Sc, expected ScSb(PbO4)2 to be ScSb(PbO3)2" +mp-556721,Ba5Re3BrO15,-7.8896270931,-2.7778847909,0.0,-0.1170208628,GGA,P6_3cm,A5BC15D3_hP48_185_bc_a_c2d_c:Ba-Br-O-Re,48.0,"Invalid WP multiplicities - A5BC15D3_hP48_185_3b4c_a_6c17d_c:Ba-Br-O-Re, expected Ba18Re3BrO120 to be Ba5Re3BrO15" +mp-1112551,Cs2TlSbF6,-4.65833055,-2.6831982564,0.0464353197,0.0464353197,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Sb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Sb-Tl +mp-1184988,Li2SmAl,-3.25543646,-0.1849345354,0.0174068549,0.0174068549,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Li-Sm,4.0,AB2C_cF16_225_a_c_b:Al-Li-Sm +mp-1185458,LiSm2Al,-3.971708295,-0.1987905533,0.003550837,0.003550837,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Sm,4.0,ABC2_cF16_225_a_b_c:Al-Li-Sm +mp-8315,LiSmAlF6,-6.0186096706,-3.5917253776,0.2476469237,0.2476469237,GGA,P6_322,AB6CD_hP18_182_c_i_d_a:Al-F-Li-Sm,18.0,AB6CD_hP18_182_c_i_d_a:Al-F-Li-Sm +mp-674357,SmAlF5,-6.3534832652,-3.7789751505,0.2361775974,0.2361775974,GGA,P1,AB5C_aP56_1_8a_40a_8a:Al-F-Sm,56.0,AB5C_aP56_1_8a_40a_8a:Al-F-Sm +mp-1173357,SmAlF5,-6.3840585864,-3.8095504718,0.2056022762,0.2056022762,GGA,P1,AB5C_aP56_1_8a_40a_8a:Al-F-Sm,56.0,AB5C_aP56_1_8a_40a_8a:Al-F-Sm +mp-504851,Rb2Na3InO4,-4.4836015085,-1.6368932485,0.0,-0.0211399875,GGA,Pnnm,AB3C4D2_oP40_58_g_gh_2gh_eg:In-Na-O-Rb,40.0,AB3C4D2_oP40_58_g_gh_2gh_eg:In-Na-O-Rb +mp-1239241,HfCrAgS4,-6.563184775,-0.993385922,0.2439192117,0.2439192117,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S +mp-1239243,HfCrAgS4,-6.5807021271,-1.0109032742,0.2264018595,0.2264018595,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S +mp-1246982,HfCrAgS4,-6.5943334843,-1.0245346313,0.2127705024,0.2127705024,GGA,P1,ABCD4_aP56_1_8a_8a_8a_32a:Ag-Cr-Hf-S,56.0,ABCD4_aP56_1_8a_8a_8a_32a:Ag-Cr-Hf-S +mp-1246990,HfCrAgS4,-6.7653289521,-1.1955300992,0.0417750345,0.0417750345,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Ag-Cr-Hf-S +mp-1239244,HfCrAgS4,-6.5750808389,-1.005281986,0.2320231477,0.2320231477,GGA,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Ag-Cr-Hf-S,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Ag-Cr-Hf-S +mp-1239238,HfCrAgS4,-6.7867436536,-1.2169448006,0.0203603331,0.0203603331,GGA,P2,ABCD4_mP14_3_2b_ac_ac_4e:Ag-Cr-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_3_2b_ac_ac_8e:Ag-Cr-Hf-S, expected HfCrAgS8 to be HfCrAgS4" +mp-1239246,HfCrAgS4,-6.6825991821,-1.1128003292,0.1245048045,0.1245048045,GGA,Pm,ABCD4_mP28_6_2a2b_3ab_a3b_8a8b:Ag-Cr-Hf-S,28.0,ABCD4_mP28_6_2a2b_3ab_a3b_8a8b:Ag-Cr-Hf-S +mp-1246783,HfCrAgS4,-6.7843435329,-1.2145446799,0.0227604538,0.0227604538,GGA,Cm,ABCD4_mC14_8_a_a_a_4a:Ag-Cr-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mC14_8_a_a_a_8a:Ag-Cr-Hf-S, expected HfCrAgS8 to be HfCrAgS4" +mp-1239262,HfCrAgS4,-6.7857320257,-1.2159331727,0.021371961,0.021371961,GGA,P2/m,ABCD4_mP7_10_c_a_e_mn:Ag-Cr-Hf-S,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_a_c_e_2mn:Ag-Cr-Hf-S, expected HfCrAgS6 to be HfCrAgS4" +mp-1246998,HfCrAgS4,-6.7825420014,-1.2127431485,0.0245619852,0.0245619852,GGA,P2/m,ABCD4_mP14_10_ce_m_n_2m2n:Ag-Cr-Hf-S,14.0,ABCD4_mP14_10_ae_m_n_2m2n:Ag-Cr-Hf-S +mp-1246369,HfCrAgS4,-6.6876901829,-1.1178913299,0.1194138038,0.1194138038,GGA,P2_1/m,ABCD4_mP14_11_e_e_e_4e:Ag-Cr-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_11_e_e_e_6e:Ag-Cr-Hf-S, expected HfCrAgS6 to be HfCrAgS4" +mp-1239266,HfCrAgS4,-6.8018771814,-1.2320783285,0.0052268052,0.0052268052,GGA,I2_12_12_1,ABCD4_oI28_24_a_b_c_2d:Ag-Cr-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_24_a_b_c_8d:Ag-Cr-Hf-S, expected HfCrAgS16 to be HfCrAgS4" +mp-1246605,HfCrAgS4,-6.7020513179,-1.1322524649,0.1050526688,0.1050526688,GGA,Pmc2_1,ABCD4_oP28_26_ab_2a_2b_4a4b:Ag-Cr-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_26_2ab_2b_2a_5a7b:Ag-Cr-Hf-S, expected Hf2Cr2(AgS4)3 to be HfCrAgS4" +mp-1239242,HfCrAgS4,-6.5771097662,-1.0073109133,0.2299942204,0.2299942204,GGA,Pca2_1,ABCD4_oP56_29_2a_2a_2a_8a:Ag-Cr-Hf-S,56.0,ABCD4_oP56_29_2a_2a_2a_8a:Ag-Cr-Hf-S +mp-1246999,HfCrAgS4,-6.6970264786,-1.1272276256,0.1100775081,0.1100775081,GGA,Pmn2_1,ABCD4_oP28_31_2a_2a_2a_8a:Ag-Cr-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_31_4a_2a_2a_16a:Ag-Cr-Hf-S, expected HfCr(AgS4)2 to be HfCrAgS4" +mp-1247338,HfCrAgS4,-6.7042700104,-1.1344711574,0.1028339763,0.1028339763,GGA,Pmn2_1,ABCD4_oP28_31_2a_2a_2a_8a:Ag-Cr-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_31_4a_2a_2a_16a:Ag-Cr-Hf-S, expected HfCr(AgS4)2 to be HfCrAgS4" +mp-1239247,HfCrAgS4,-6.6904720768,-1.1206732238,0.1166319099,0.1166319099,GGA,Pnma,ABCD4_oP28_62_c_c_c_4c:Ag-Cr-Hf-S,28.0,ABCD4_oP28_62_c_c_c_4c:Ag-Cr-Hf-S +mp-1239239,HfCrAgS4,-6.8021628286,-1.2323639756,0.0049411581,0.0049411581,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Ag-Cr-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2hi:Ag-Cr-Hf-S, expected HfCrAgS6 to be HfCrAgS4" +mp-1247746,HfCrS4,-7.3554280833,-1.3294220887,0.088248879,0.088248879,GGA,Imma,ABC4_oI24_74_a_c_hi:Cr-Hf-S,12.0,"Invalid WP multiplicities - ABC4_oI24_74_a_c_2hi:Cr-Hf-S, expected HfCrS6 to be HfCrS4" +mp-28941,HfAg2S3,-5.7083130129,-1.03637124,0.0335727146,0.0335727146,GGA,Cmce,A2BC3_oC48_64_ef_d_fg:Ag-Hf-S,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_2e2f_d_fg:Ag-Hf-S, expected HfAg4S3 to be HfAg2S3" +mp-1208976,Sm4MgNi,-4.5490753113,-0.1732817663,0.2340472004,0.2340472004,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ni-Sm,24.0,ABC4_cF96_216_e_e_efg:Mg-Ni-Sm +mp-569494,SmMg2Ni9,-5.2551763733,-0.2601450104,0.5048449504,0.5048449504,GGA,R-3m,A2B9C_hR36_166_c_ach_b:Mg-Ni-Sm,12.0,"Invalid WP multiplicities - A2B9C_hR36_166_c_a2c2h_b:Mg-Ni-Sm, expected SmMg2Ni17 to be SmMg2Ni9" +mp-1206247,Sm2MgNi2,-4.849944424,-0.330399288,0.6073441890000001,0.6073441890000001,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Ni-Sm,10.0,AB2C2_tP10_127_a_g_h:Mg-Ni-Sm +mp-2223038,SmMgNiO3,-6.1524083433,-1.6625635102,1.203830536,1.203830536,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Ni-O-Sm,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_c2e_a:Mg-Ni-O-Sm, expected SmMgNiO5 to be SmMgNiO3" +mp-1209695,Sm23Mg4Ni7,-4.7629876501,-0.1927065306,0.2928854093,0.2928854093,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Ni-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Ni-Sm +mp-1219044,SmMg3Ni8,-4.9201491125,-0.2734391354,0.5131958639,0.5131958639,GGA,R3m,A3B8C_hR36_160_3a_2a2b_a:Mg-Ni-Sm,12.0,"Invalid WP multiplicities - A3B8C_hR36_160_3a_2a6b_a:Mg-Ni-Sm, expected SmMg3Ni20 to be SmMg3Ni8" +mp-21399,CeMnGe,-7.0036876083,-0.430976841,0.0487488355,0.0487488355,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ce-Ge-Mn,6.0,ABC_tP6_129_c_c_a:Ce-Ge-Mn +mp-21089,Ce(MnGe)2,-7.1523343,-0.4516992102,0.0,-0.0600233223,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Ce-Ge-Mn +mp-21635,CeMn2(GeO3)4,-7.7814670124,-2.4072830285,0.0,-0.0125381369,GGA+U,P4/nbm,AB4C2D12_tP38_125_a_l_e_mn:Ce-Ge-Mn-O,38.0,"Invalid WP multiplicities - AB4C2D12_tP38_125_a_l_e_3m3n:Ce-Ge-Mn-O, expected CeMn2(GeO9)4 to be CeMn2(GeO3)4" +mp-1194809,Rb8Cu6As8S19,-4.4245048323,-0.8073095321,0.0,-0.1092373719,GGA,P2_1,A8B6C8D19_mP82_4_8a_6a_8a_19a:As-Cu-Rb-S,82.0,A8B6C8D19_mP82_4_8a_6a_8a_19a:As-Cu-Rb-S +mp-1328221,Zn3Cr2(GeO4)3,-6.8271953638,-2.0114616703,0.0987092689,0.0987092689,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Cr-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Cr-Ge-O-Zn +mp-1648759,ZnCr(GeO3)2,-6.9905327092,-2.0066348035,0.07047099,0.07047099,GGA+U,P-1,AB2C6D_aP20_2_i_2i_6i_i:Cr-Ge-O-Zn,40.0,"Invalid WP multiplicities - AB2C6D_aP20_2_i_4i_12i_i:Cr-Ge-O-Zn, expected ZnCr(GeO3)4 to be ZnCr(GeO3)2" +mp-1353766,ZnCr(GeO3)2,-6.97260116,-1.9887032542,0.0884025393,0.0884025393,GGA+U,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Cr-Ge-O-Zn,40.0,AB2C6D_mP40_14_e_2e_6e_e:Cr-Ge-O-Zn +mp-1043308,ZnCr(GeO3)2,-6.970928647,-1.9870307412,0.0900750523,0.0900750523,GGA+U,C2/c,AB2C6D_mC40_15_e_f_3f_e:Cr-Ge-O-Zn,40.0,AB2C6D_mC40_15_e_f_3f_e:Cr-Ge-O-Zn +mp-1208762,Sr2MnTeO6,-7.049665553,-2.513221517,0.0,-0.0353614772,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mn-O-Sr-Te,40.0,AB6C2D_mP20_14_a_3e_e_b:Mn-O-Sr-Te +mp-1218186,SrMnTeO6,-6.78354623,-1.9307743515,0.1879945394,0.1879945394,GGA+U,P-6,AB6CD_hP9_174_a_l_d_e:Mn-O-Sr-Te,9.0,AB6CD_hP9_174_a_l_d_e:Mn-O-Sr-Te +mp-1225063,FeCo16NiS16,-6.4185689726,-0.7077913115000001,0.0128021312,0.0128021312,GGA,P4/mmm,A16BCD16_tP34_123_st_a_d_ghijk:Co-Fe-Ni-S,34.0,"Invalid WP multiplicities - A16BCD16_tP34_123_6s6t_a_d_2g2hi4j4k:Co-Fe-Ni-S, expected FeCo96NiS44 to be FeCo16NiS16" +mp-1224992,FeCo(NiS2)4,-5.789838725,-0.6619469636,0.0972227471,0.0972227471,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Co-Fe-Ni-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Co-Fe-Ni-S +mp-557349,Mn3Nb2ZnO9,-8.718677779,-2.4874379145,0.0208120039,0.0208120039,GGA+U,P3c1,A3B2C9D_hP30_158_a2b_2c_3d_a:Mn-Nb-O-Zn,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_158_a3b_3c_14d_a:Mn-Nb-O-Zn, expected Mn4Nb3ZnO42 to be Mn3Nb2ZnO9" +mp-1176463,Mn3NbO8,-8.5707757196,-2.1407040024,0.067602336,0.067602336,GGA+U,Cc,A3BC8_mC48_9_3a_a_8a:Mn-Nb-O,24.0,"Invalid WP multiplicities - A3BC8_mC48_9_5a_a_14a:Mn-Nb-O, expected Mn5NbO14 to be Mn3NbO8" +mp-756172,Mn3NbO8,-8.5503078958,-2.1202361786,0.0880701598,0.0880701598,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Mn-Nb-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Mn-Nb-O, expected Mn3NbO30 to be Mn3NbO8" +mp-1373205,Mn2Nb4Zn3O16,-8.1608473204,-2.4946272822,0.0518843252,0.0518843252,GGA+U,P1,A2B4C16D3_aP25_1_2a_4a_16a_3a:Mn-Nb-O-Zn,50.0,"Invalid WP multiplicities - A2B4C16D3_aP25_1_4a_4a_16a_3a:Mn-Nb-O-Zn, expected Mn4Nb4Zn3O16 to be Mn2Nb4Zn3O16" +mp-706836,Mn27Nb13O60,-9.1541044017,-2.3991773909000003,0.130895895,0.130895895,GGA+U,P1,A27B13C60_aP100_1_27a_13a_60a:Mn-Nb-O,100.0,A27B13C60_aP100_1_27a_13a_60a:Mn-Nb-O +mp-29876,MnNb3O6,-9.5335312607,-2.6189249928,0.0207799989,0.0207799989,GGA+U,Immm,AB3C6_oI40_71_e_fl_gho:Mn-Nb-O,40.0,AB3C6_oI40_71_e_fl_gho:Mn-Nb-O +mp-1369222,Mn2Nb2O9,-8.6458795558,-2.2576611661,0.2104824652,0.2104824652,GGA+U,P6_3/mcm,A2B2C9_hP26_193_d_e_gk:Mn-Nb-O,26.0,"Invalid WP multiplicities - A2B2C9_hP26_193_d_e_4g5k:Mn-Nb-O, expected MnNbO21 to be Mn2Nb2O9" +mp-775807,MnNb4O12,-9.1703012479,-2.7628012487,0.0555299978,0.0555299978,GGA+U,P1,AB4C12_aP17_1_a_4a_12a:Mn-Nb-O,68.0,AB4C12_aP17_1_a_4a_12a:Mn-Nb-O +mp-1366855,Mn2Nb2ZnO9,-8.3990868489,-2.3771880864,0.1318950541,0.1318950541,GGA+U,P3c1,A2B2C9D_hP28_158_ab_2c_3d_a:Mn-Nb-O-Zn,28.0,"Invalid WP multiplicities - A2B2C9D_hP28_158_ab_2c_13d_a:Mn-Nb-O-Zn, expected Mn2Nb2ZnO39 to be Mn2Nb2ZnO9" +mp-754809,MnNbO4,-9.0666671575,-2.5583212947,0.0516132462,0.0516132462,GGA+U,I-4m2,ABC4_tI12_119_a_c_ef:Mn-Nb-O,12.0,ABC4_tI12_119_a_c_ef:Mn-Nb-O +mp-1377939,Mn3Nb2O9,-9.0446288446,-2.4582821048,0.1078688494,0.1078688494,GGA+U,P3c1,A3B2C9_hP28_158_2ab_2c_3d:Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B2C9_hP28_158_3ab_3c_14d:Mn-Nb-O, expected Mn4Nb3O42 to be Mn3Nb2O9" +mp-1222064,Mn4Nb2O9,-9.271613967,-2.5135559904,0.02875526,0.0018992177,GGA+U,Cc,A4B2C9_mC60_9_4a_2a_9a:Mn-Nb-O,30.0,"Invalid WP multiplicities - A4B2C9_mC60_9_7a_4a_18a:Mn-Nb-O, expected Mn7Nb4O18 to be Mn4Nb2O9" +mp-31901,Mn4Nb2O9,-9.300369227,-2.5423112504,0.0,-0.0268560423,GGA+U,P-3c1,A4B2C9_hP30_165_2d_c_fg:Mn-Nb-O,30.0,"Invalid WP multiplicities - A4B2C9_hP30_165_4d_c_fg:Mn-Nb-O, expected Mn8Nb2O9 to be Mn4Nb2O9" +mp-22100,MnNb2O6,-9.4330505444,-2.8725219178,0.0,-0.0427423642,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Mn-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_4d:Mn-Nb-O, expected MnNb2O8 to be MnNb2O6" +mp-31908,Mn3Nb6O11,-9.5768387962,-2.4514661993,0.0,-0.0337138022,GGA+U,P-3m1,A3B6C11_hP20_164_ad_i_dfi:Mn-Nb-O,40.0,"Invalid WP multiplicities - A3B6C11_hP20_164_2a2d_i_dfi:Mn-Nb-O, expected Mn6Nb6O11 to be Mn3Nb6O11" +mp-1426023,Mn2Nb2Zn2O9,-7.553006031,-1.8485842786,0.6256043078,0.6256043078,GGA+U,P3c1,A2B2C9D2_hP30_158_ab_2c_3d_ab:Mn-Nb-O-Zn,30.0,"Invalid WP multiplicities - A2B2C9D2_hP30_158_ab_2c_13d_2ab:Mn-Nb-O-Zn, expected Mn2Nb2Zn3O39 to be Mn2Nb2Zn2O9" +mp-554400,Mn2Nb2Zn2O9,-8.1445610367,-2.4401392843,0.0340493021,0.0340493021,GGA+U,P-3c1,A2B2C9D2_hP30_165_d_c_fg_d:Mn-Nb-O-Zn,30.0,"Invalid WP multiplicities - A2B2C9D2_hP30_165_d_c_4f5g_d:Mn-Nb-O-Zn, expected MnNbZnO21 to be Mn2Nb2Zn2O9" +mp-17561,MnNb2Zn2O8,-8.0134522692,-2.5167120937,0.0231985446,0.0231985446,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Mn-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Mn-Nb-O-Zn, expected MnNb2Zn2O10 to be MnNb2Zn2O8" +mp-1368842,MnNb2ZnO8,-8.2986442204,-2.4488209977,0.0817998373,0.0817998373,GGA+U,C2,AB2C8D_mC48_5_ab_2c_8c_c:Mn-Nb-O-Zn,24.0,AB2C8D_mC48_5_ab_2c_8c_c:Mn-Nb-O-Zn +mp-554097,Sm3CuSiS7,-6.22307409,-1.8367880756,0.0,-0.053744474,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Si-Sm,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b8c_b_c:Cu-S-Si-Sm, expected Sm3CuSiS26 to be Sm3CuSiS7" +mp-1201259,NaTiAsO5,-7.3547171222,-2.5283947133,0.0,-0.0180736267,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:As-Na-O-Ti,32.0,ABC5D_mP32_14_e_e_5e_e:As-Na-O-Ti +mp-1200852,NaTi2(AsO4)3,-7.3839013481,-2.3588386216,0.0,-0.0169313756,GGA,R-3c,A3BC12D2_hR108_167_e_b_2f_c:As-Na-O-Ti,36.0,A3BC12D2_hR108_167_e_b_2f_c:As-Na-O-Ti +mp-1208440,TiAs2O9,-6.6641832142,-1.5196892785,0.307575115,0.307575115,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:As-O-Ti,48.0,A2B9C_mP48_14_2e_9e_e:As-O-Ti +mp-1047477,Ti3(AsO4)4,-7.4548669561,-2.1735639539,0.1899927502,0.1899927502,GGA,P2_1/c,A4B16C3_mP46_14_2e_8e_ae:As-O-Ti,46.0,"Invalid WP multiplicities - A4B16C3_mP46_14_5e_29e_ae:As-O-Ti, expected Ti3(As5O29)2 to be Ti3(AsO4)4" +mp-559519,Na4TiAs2O9,-6.4976786984,-2.3086769233,0.0,-0.0137488931,GGA,C2/m,A2B4C9D_mC64_12_2i_fg2i_5i2j_e:As-Na-O-Ti,32.0,"Invalid WP multiplicities - A2B4C9D_mC64_12_4i_2e2g3i_10i7j_f:As-Na-O-Ti, expected Na7Ti(AsO6)4 to be Na4TiAs2O9" +mp-17196,TiAs2O7,-7.3767722527,-2.1927172722,0.0,-0.0489448145,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-Ti,40.0,A2B7C_mP40_14_2e_7e_e:As-O-Ti +mp-1042371,TiAs2O7,-7.269448497,-2.0853935165,0.1073237558,0.0583789412,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-Ti,40.0,A2B7C_mP40_14_2e_7e_e:As-O-Ti +mp-557146,TiAs2O7,-7.360815318,-2.1767603375,0.0159569347,-0.0329878798,GGA,C2/c,A2B7C_mC40_15_f_e3f_a:As-O-Ti,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e9f_c:As-O-Ti, expected Ti(AsO10)2 to be TiAs2O7" +mp-1025360,Na2Ti2As2O,-6.0063037929,-1.3347380584,0.0,-0.0123351866,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_c:As-Na-O-Ti,7.0,A2B2CD2_tI14_139_e_e_a_c:As-Na-O-Ti +mp-1223499,KBa(AgTe2)2,-3.6082691988,-0.9498055154,0.0,-0.0290685069,GGA,I4mm,A2BCD4_tI16_107_b_a_a_2ab:Ag-Ba-K-Te,8.0,A2BCD4_tI16_107_b_a_a_2ab:Ag-Ba-K-Te +mp-1113900,Na2LiScF6,-5.723474702,-3.4879430656,0.0787526058,0.0787526058,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Sc +mp-14023,Na3Li3Sc2F12,-5.8528065898,-3.5879550747,0.0,-0.0163969687,GGA,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Sc,80.0,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Sc +mp-1110980,Cs2NaPrF6,-5.4550354930000005,-3.5187245332,0.0,-0.0127358387,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Pr +mp-1220948,NaPrF4,-6.2398162872,-3.9482584675,0.0,-0.0274650047,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Na-Pr,18.0,A4BC_aP18_1_12a_3a_3a:F-Na-Pr +mp-1095289,LiCaAs,-3.9165031708,-1.0586227869,0.0,-0.1125573025,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ca-Li,12.0,ABC_oP12_62_c_c_c:As-Ca-Li +mp-961684,LiCaAs,-3.82822429,-0.9703439061,0.0882788808,-0.0242784217,GGA,F-43m,ABC_cF12_216_c_a_b:As-Ca-Li,3.0,ABC_cF12_216_c_a_b:As-Ca-Li +mp-1079935,LiCaH3,-3.399682828,-0.5811426517,0.021480728,0.021480728,GGA,R-3c,AB3C_hR30_167_a_e_b:Ca-H-Li,10.0,AB3C_hR30_167_a_e_b:Ca-H-Li +mp-1192528,LiCa3As2H,-3.9929853086,-1.0448873998,0.0,-0.0419682268,GGA,Pnma,A2B3CD_oP28_62_2c_3c_c_c:As-Ca-H-Li,28.0,A2B3CD_oP28_62_2c_3c_c_c:As-Ca-H-Li +mp-677705,Ba24In19N11,-3.9167788498,-0.3975411905,0.1421210221,0.1421210221,GGA,Cm,A24B19C11_mC108_8_8a8b_9a5b_7a2b:Ba-In-N,54.0,"Invalid WP multiplicities - A24B19C11_mC108_8_8a16b_9a10b_7a2b:Ba-In-N, expected Ba40In29N11 to be Ba24In19N11" +mp-1246205,Ba3(InN2)2,-5.3312088578,-0.3749564156,0.2876118422,0.2876118422,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-In-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-In-N +mp-1246176,Ba3(InN2)2,-5.35498786,-0.3987354178,0.26383284,0.26383284,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-In-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-In-N +mp-672306,Ba6In5N,-3.2789394579,-0.47820919,0.0,-0.0162951658,GGA,R-3c,A6B5C_hR72_167_f_ce_b:Ba-In-N,24.0,"Invalid WP multiplicities - A6B5C_hR72_167_f_3c3e_b:Ba-In-N, expected Ba6In15N to be Ba6In5N" +mp-1246621,Ba3In3N5,-5.4069107727,-0.3437788968,0.2521443266,0.2521443266,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-In-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-In-N +mp-684007,Ba19(InN)9,-4.1951755626,-0.5126314611,0.023355483,0.023355483,GGA,P1,A19B9C9_aP74_1_38a_18a_18a:Ba-In-N,74.0,"Invalid WP multiplicities - A19B9C9_mC148_12_2g16i19j_7i6j_13i3j:Ba-In-N, expected Ba56(InN)19 to be Ba19(InN)9" +mp-1147731,In(CuN)3,-5.1434550886,0.5792289850000001,0.6017573207,0.6017573207,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cu-In-N,7.0,A3BC3_cP7_221_c_a_d:Cu-In-N +mp-1205241,Ba14In4Cu2N7,-4.3207461346,-0.4531068052,0.0529984869,0.0529984869,GGA,P2/m,A14B2C4D7_mP54_10_abk2m4n3o_del_2mo_2m3no:Ba-Cu-In-N,54.0,A14B2C4D7_mP54_10_abk2m4n3o_ghj_2mo_2m3no:Ba-Cu-In-N +mp-560512,Sm2EuBeO5,-8.8828744661,-3.5309821893,0.002327879,0.002327879,GGA,P2_1/c,ABC5D2_mP36_14_e_e_5e_2e:Be-Eu-O-Sm,36.0,"Invalid WP multiplicities - ABC5D2_mP36_14_e_e_16e_6e:Be-Eu-O-Sm, expected Sm6EuBeO16 to be Sm2EuBeO5" +mp-1110588,Rb2MnAuF6,-5.031907897,-2.4453239728,0.166733579,0.166733579,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Mn-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Mn-Rb +mp-1111397,CsRb2CoF6,-4.799840091,-2.6564738793,0.017315477,0.017315477,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Cs-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Co-Cs-F-Rb +mp-2880,LuB2Os3,-8.9395625933,-0.3459232014,0.07958178,0.07958178,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Lu-Os,6.0,A2BC3_hP6_191_c_a_g:B-Lu-Os +mp-1199915,Lu2B6Os,-7.4248301675,-0.7197613792,0.0,-0.0906312531,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Lu-Os,36.0,A6B2C_oP36_55_6h_2g_g:B-Lu-Os +mp-1079803,Th(BOs)2,-9.16395134,-0.5184760097000001,0.0,-0.0826317773,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Os-Th,10.0,A2B2C_oF40_70_e_f_a:B-Os-Th +mp-1210637,Th(BOs)2,-3.7455043755,4.8999709548,5.4184469645,5.3358151872,GGA,P4_2/n,A2B2C_tP20_86_g_g_c:B-Os-Th,20.0,A2B2C_tP20_86_g_g_c:B-Os-Th +mp-1179056,Th(BOs)4,-9.2236403539,-0.4413186813,0.0,-0.0480076494,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Os-Th,18.0,A4B4C_tP18_86_g_g_a:B-Os-Th +mp-1189270,LuB2Os,-7.915032845,-0.6382574721000001,0.0,-0.0011426842,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Lu-Os,16.0,A2BC_oP16_62_d_c_c:B-Lu-Os +mp-973529,LuB4Os,-7.6755745367,-0.5979270311,0.0,-0.0040773096,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Lu-Os,24.0,A4BC_oP24_55_4h_g_g:B-Lu-Os +mp-1189250,CsNd(ClO)4,-4.4514493575,-1.1670042285,0.5963611492,0.5963611492,GGA,P2_12_12,A4BCD4_oP20_18_2c_a_b_2c:Cl-Cs-Nd-O,20.0,A4BCD4_oP20_18_2c_a_b_2c:Cl-Cs-Nd-O +mp-17487,NaErGeO4,-7.2185833386,-2.8900080809,0.0,-0.0338539952,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Er-Ge-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Er-Ge-Na-O +mp-1213102,Eu2Nb5O9,-10.0546705963,-2.8333751462,0.0,-0.0061707075,GGA,P4/mmm,A2B5C9_tP16_123_h_aeg_dfgi:Eu-Nb-O,16.0,A2B5C9_tP16_123_h_aeg_dfgi:Eu-Nb-O +mp-1188621,Eu3NbO6,-10.3983594955,-3.3431152247,0.0,-0.099760488,GGA,P2_1/c,A3BC6_mP20_14_ae_d_3e:Eu-Nb-O,20.0,A3BC6_mP20_14_ae_b_3e:Eu-Nb-O +mp-1185383,Eu5Nb4O15,-10.1700635042,-3.2579568446,0.0,-0.027397645,GGA,P-3m1,A5B4C15_hP24_164_a2d_cd_e2i:Eu-Nb-O,24.0,A5B4C15_hP24_164_a2d_cd_e2i:Eu-Nb-O +mp-1078341,EuNbO3,-10.19022345,-3.1505488553,0.0,-0.0114264781,GGA,Imma,ABC3_oI20_74_e_a_eg:Eu-Nb-O,10.0,ABC3_oI20_74_e_a_eg:Eu-Nb-O +mp-755572,EuNbO3,-10.171373174,-3.1316985793,0.018850276,0.0074237979,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Nb-O,5.0,ABC3_cP5_221_a_b_c:Eu-Nb-O +mp-1184198,Eu3Nb,-9.62423327,0.59384434,0.59384434,0.59384434,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-Nb,4.0,A3B_tI8_139_ad_b:Eu-Nb +mp-1184441,Eu3Nb,-9.6202128275,0.5978647825,0.5978647825,0.5978647825,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-Nb,8.0,A3B_hP8_194_h_c:Eu-Nb +mp-1184454,EuNb3,-9.555827615,0.584401615,0.584401615,0.584401615,GGA,P6_3/mmc,AB3_hP8_194_c_h:Eu-Nb,8.0,AB3_hP8_194_c_h:Eu-Nb +mp-674312,Eu2Nb4O13,-9.5427709179,-2.9519194965,0.1839925509,0.1839925509,GGA,P1,A2B4C13_aP19_1_2a_4a_13a:Eu-Nb-O,19.0,A2B4C13_aP19_1_2a_4a_13a:Eu-Nb-O +mp-770993,Eu3NbO7,-10.0588791632,-3.1953217615,0.0034066559,-0.0049474324,GGA,P2_12_12_1,A3BC7_oP44_19_3a_a_7a:Eu-Nb-O,44.0,"Invalid WP multiplicities - A3BC7_oP44_19_9a_a_25a:Eu-Nb-O, expected Eu9NbO25 to be Eu3NbO7" +mp-756886,Eu3NbO7,-10.0622858191,-3.1987284174,0.0,-0.0083540883,GGA,Cmcm,A3BC7_oC44_63_ag_b_cgh:Eu-Nb-O,22.0,"Invalid WP multiplicities - A3BC7_oC44_63_a2g_b_c2g2h:Eu-Nb-O, expected Eu5NbO13 to be Eu3NbO7" +mp-12646,EuNbO4,-9.88555449,-3.1947108758,0.0,-0.0596102657,GGA,C2/c,ABC4_mC24_15_e_e_2f:Eu-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Eu-Nb-O +mp-1225538,Eu2ScNbO7,-9.8792824727,-3.3725007706,0.0003064081,0.0003064081,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Eu-Nb-O-Sc,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Eu-Nb-O-Sc, expected Eu2ScNbO13 to be Eu2ScNbO7" +mp-21593,EuNb8O14,-9.816340053,-2.8458581366,0.0,-0.0496142635,GGA,Pbam,AB8C14_oP46_55_b_ghi_acgh2i:Eu-Nb-O,46.0,AB8C14_oP46_55_b_ghi_acgh2i:Eu-Nb-O +mp-1191816,Gd3BeCrS7,-8.9205715758,-1.8725735656,0.0409507555,0.0409507555,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Gd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Gd-S +mp-1199840,Cs5As(PSe3)4,-4.1930070861,-0.8866308123000001,0.0,-0.0079506246,GGA,P4_2/m,AB5C4D12_tP44_84_c_a2j_2j_2j2k:As-Cs-P-Se,44.0,AB5C4D12_tP44_84_c_a2j_2j_2j2k:As-Cs-P-Se +mp-1201199,Cs3As(PSe3)3,-4.2565992634,-0.8160719922,0.0,-0.0175038519,GGA,P2_1/c,AB3C3D9_mP64_14_e_3e_3e_9e:As-Cs-P-Se,64.0,AB3C3D9_mP64_14_e_3e_3e_9e:As-Cs-P-Se +mp-554975,Ba4Gd2Cd3S10,-6.1049244821,-1.8964343669,0.0205727186,0.0205727186,GGA,Cmc2_1,A4B3C2D10_oC76_36_4a_3a_2a_10a:Ba-Cd-Gd-S,38.0,"Invalid WP multiplicities - A4B3C2D10_oC76_36_6a_3a_2a_20a:Ba-Cd-Gd-S, expected Ba6Gd2Cd3S20 to be Ba4Gd2Cd3S10" +mp-1192904,Ba(GdS2)2,-9.0974693621,-2.4378952354,0.0,-0.0711208261,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Gd-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Gd-S +mp-1203408,KYb2Cd2Sb3,-3.0199547828,-0.7171549394000001,0.0,-0.0025968347,GGA,Pnma,A2BC3D2_oP32_62_2c_c_3c_2c:Cd-K-Sb-Yb,,A2BC3D2_oP32_62_2c_c_3c_2c:Cd-K-Sb-Yb +mp-1181392,LiZn(ClO)3,-3.6501648384,-0.7058720146,0.5790092087,0.5790092087,GGA,P1,A3BC3D_aP32_1_12a_4a_12a_4a:Cl-Li-O-Zn,32.0,A3BC3D_aP32_1_12a_4a_12a_4a:Cl-Li-O-Zn +mp-1203626,LiZn(ClO)3,-3.576603215,-0.6323103912,0.6525708321,0.6525708321,GGA,Pnma,A3BC3D_oP32_62_cd_c_cd_c:Cl-Li-O-Zn,32.0,A3BC3D_oP32_62_cd_c_cd_c:Cl-Li-O-Zn +mp-20295,YbEuSi4N7,-8.3737756323,-1.3081335804,0.0,-0.0287357949,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Eu-N-Si-Yb,,AB7C4D_hP26_186_b_a2c_ac_b:Eu-N-Si-Yb +mp-1210145,NdCrGeO5,-8.2788321866,-2.8066238973,0.0,-0.01419509,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Ge-Nd-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Ge-Nd-O +mp-13008,NdCrGe3,-6.051713016,-0.3936573225,0.0354634815,0.0354634815,GGA,P6_3/mmc,AB3C_hP10_194_a_h_c:Cr-Ge-Nd,10.0,AB3C_hP10_194_a_h_c:Cr-Ge-Nd +mp-1228010,BaCu6Te6S,-4.0706708786,-0.5342065795000001,0.0360667621,0.0360667621,GGA,P2,AB6CD6_mP14_3_c_3e_b_2a2e:Ba-Cu-S-Te,14.0,AB6CD6_mP14_3_a_3e_c_2b2e:Ba-Cu-S-Te +mp-1228217,Ba4Cu11(Te4S)2,-4.2777960188,-0.8303352184,0.0,-0.00400707,GGA,Pm,A4B11C2D8_mP25_6_4a_4a7b_2b_4a4b:Ba-Cu-S-Te,25.0,A4B11C2D8_mP25_6_4a_4a7b_2b_4a4b:Ba-Cu-S-Te +mp-1106360,SmCrTeO6,-7.7695516317,-2.5256547688,0.0,-0.0252977456,GGA+U,P-31c,AB6CD_hP18_163_c_i_b_d:Cr-O-Sm-Te,18.0,AB6CD_hP18_163_c_i_b_d:Cr-O-Sm-Te +mp-1208641,SmCrTeO6,-7.4676180733,-2.2237212105,0.3019335583,0.2766358128,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Sm-Te,18.0,AB6CD_hP18_163_b_i_c_d:Cr-O-Sm-Te +mp-1217513,Te15Mo2(Br6O)2,-3.7209698681,-0.5799825777000001,0.1696014213,0.1696014213,GGA+U,P1,A12B2C2D15_aP31_1_12a_2a_2a_15a:Br-Mo-O-Te,31.0,A12B2C2D15_aP31_1_12a_2a_2a_15a:Br-Mo-O-Te +mp-1209819,Rb5Mo2Br9O,-4.1184419259,-1.4409175574,0.3143072363,0.3143072363,GGA+U,Cmc2_1,A9B2CD5_oC68_36_5a2b_2a_a_a2b:Br-Mo-O-Rb,34.0,A9B2CD5_oC68_36_5a2b_2a_a_a2b:Br-Mo-O-Rb +mp-1206508,Pr2MnSb3,-2.8774371967,2.3077012237,3.2039754375,3.2039754375,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Mn-Pr-Sb,6.0,AB2C3_tP6_123_a_g_bg:Mn-Pr-Sb +mp-1192303,Pr2Mn3(SbS3)4,-5.9618760595,-1.0475303096,0.0268653472,0.0268653472,GGA,C2/m,A3B2C12D4_mC42_12_ai_i_6i_2i:Mn-Pr-S-Sb,21.0,A3B2C12D4_mC42_12_ai_i_6i_2i:Mn-Pr-S-Sb +mp-1194031,Pr4MnSb9,-5.4787008104,-0.8039401338000001,0.0151397929,0.0151397929,GGA,C2/m,AB4C9_mC56_12_i_4i_ad8i:Mn-Pr-Sb,28.0,AB4C9_mC56_12_i_4i_ac8i:Mn-Pr-Sb +mp-7646,Cs2PrO3,-5.7523327592,-2.1837033204,0.0805509174,0.0805509174,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Cs-O-Pr,12.0,A2B3C_oC24_36_b_ab_a:Cs-O-Pr +mp-1214290,Cs3Pr(MoO4)3,-7.6454324416,-2.4157309818,0.0,-0.0057760104,GGA+U,Pnma,A3B3C12D_oP76_62_3c_3c_6c3d_c:Cs-Mo-O-Pr,76.0,A3B3C12D_oP76_62_3c_3c_6c3d_c:Cs-Mo-O-Pr +mp-572452,CsPr(MoO4)2,-8.1060484971,-2.527621994,0.0,-0.0104048268,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Pr,24.0,"Invalid WP multiplicities - AB2C8D_oP24_49_e_q_5q4r_f:Cs-Mo-O-Pr, expected CsPr(MoO13)2 to be CsPr(MoO4)2" +mp-1183919,CsPrO3,-6.231176656,-2.1279018038,0.2804663159,0.2804663159,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Pr,5.0,AB3C_cP5_221_a_c_b:Cs-O-Pr +mp-863022,RbTaGeS5,-5.9244027762,-1.1564541648,0.0,-0.0091162724,GGA,P-1,ABC5D_aP16_2_i_i_5i_i:Ge-Rb-S-Ta,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_i_9i_i:Ge-Rb-S-Ta, expected RbTaGeS9 to be RbTaGeS5" +mp-559809,Rb4Fe2O5,-5.7862230364,-1.6411664667,0.0139731902,0.0139731902,GGA+U,C2/c,A2B5C4_mC44_15_f_c2f_2ef:Fe-O-Rb,22.0,"Invalid WP multiplicities - A2B5C4_mC44_15_f_2a7f_2ef:Fe-O-Rb, expected Rb2FeO8 to be Rb4Fe2O5" +mp-1209469,Rb4Fe2O,-3.1810059614,0.5059750988,1.0352605831,1.0352605831,GGA+U,Fd-3m,A2BC4_cF56_227_c_a_e:Fe-O-Rb,14.0,A2BC4_cF56_227_c_a_e:Fe-O-Rb +mp-828605,Rb4FeO4,-5.1027467111,-1.5273120061,0.0,-0.0165522401,GGA+U,P2_1/c,AB4C4_mP36_14_e_4e_4e:Fe-O-Rb,36.0,"Invalid WP multiplicities - AB4C4_mP36_14_e_13e_15e:Fe-O-Rb, expected Rb15FeO13 to be Rb4FeO4" +mp-1193332,Rb5(FeO2)3,-5.8388423311,-1.5536375982,0.0114720173,0.0114720173,GGA+U,I-42d,A3B6C5_tI56_122_ad_de_bcd:Fe-O-Rb,28.0,A3B6C5_tI56_122_ad_de_bcd:Fe-O-Rb +mp-768845,RbFeO2,-6.4866555481,-1.6506723719,0.1222128919,0.0113341769,GGA+U,C2/c,AB2C_mC16_15_e_f_e:Fe-O-Rb,16.0,AB2C_mC16_15_e_f_e:Fe-O-Rb +mp-755536,RbFeO2,-6.60886844,-1.7728852638,0.0,-0.110878715,GGA+U,Pna2_1,AB2C_oP16_33_a_2a_a:Fe-O-Rb,16.0,AB2C_oP16_33_a_2a_a:Fe-O-Rb +mp-1830250,ZnAgF5,-3.7678175357,-1.8178611856,0.0501065683,0.0501065683,GGA,P-1,AB5C_aP14_2_bc_5i_i:Ag-F-Zn,14.0,"Invalid WP multiplicities - AB5C_aP14_2_bc_9i_i:Ag-F-Zn, expected ZnAgF9 to be ZnAgF5" +mp-1404837,ZnAgF5,-2.7451698814,-0.7952135313,1.0727542226,1.0727542226,GGA,P-1,AB5C_aP14_2_bd_5i_i:Ag-F-Zn,14.0,"Invalid WP multiplicities - AB5C_aP14_2_bd_9i_i:Ag-F-Zn, expected ZnAgF9 to be ZnAgF5" +mp-1372040,ZnAgF5,-3.7279732521,-1.778016902,0.0899508519,0.0899508519,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ag-F-Zn,28.0,AB5C_mP28_14_e_5e_e:Ag-F-Zn +mp-977584,Zr2ZnAg2F14,-5.6515492032,-2.9788669704,0.0059783591,0.0059783591,GGA,C2/m,A2B14CD2_mC38_12_i_bc2i2j_a_i:Ag-F-Zn-Zr,19.0,"Invalid WP multiplicities - A2B14CD2_mC38_12_i_ac4i4j_b_i:Ag-F-Zn-Zr, expected Zr2ZnAg2F26 to be Zr2ZnAg2F14" +mp-1215383,Zr4ZnAg,-6.4234498558,-0.0429328336,0.1066104642,0.1066104642,GGA,F-43m,ABC4_cF96_216_e_e_efg:Ag-Zn-Zr,24.0,ABC4_cF96_216_e_e_efg:Ag-Zn-Zr +mp-998537,ZnAgF3,-4.002815995,-2.0374686918,0.017948299,0.017948299,GGA,R-3,AB3C_hR30_148_c_f_c:Ag-F-Zn,10.0,AB3C_hR30_148_c_f_c:Ag-F-Zn +mp-14099,ZnAgF3,-3.9671924,-2.0018450968,0.053571894,0.053571894,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-F-Zn,5.0,AB3C_cP5_221_a_c_b:Ag-F-Zn +mp-1226955,Cd5Bi6(Cl3O2)4,-4.4814198413,-1.5971187706,0.0232125128,0.0232125128,GGA,Immm,A6B5C12D8_oI62_71_en_afh_bcefgn_o:Bi-Cd-Cl-O,31.0,"Invalid WP multiplicities - A6B5C12D8_oI62_71_2e3n_af2h_bc2e2f2g3n_o:Bi-Cd-Cl-O, expected Cd7Bi16(Cl13O4)2 to be Cd5Bi6(Cl3O2)4" +mp-550553,CdBiClO2,-4.916808127,-1.6157495325,0.0,-0.0409452583,GGA,P2_1/m,ABCD2_mP10_11_e_e_e_2e:Bi-Cd-Cl-O,10.0,ABCD2_mP10_11_e_e_e_2e:Bi-Cd-Cl-O +mp-1226996,CdBi12(Cl7O6)2,-5.0913354154,-1.7003472847,0.0,-0.0043267074,GGA,Cmmm,A12BC14D12_oC78_65_3g3h_b_ac3g3h_mr:Bi-Cd-Cl-O,39.0,"Invalid WP multiplicities - A12BC14D12_oC78_65_3g6h_b_ac3g6h_mr:Bi-Cd-Cl-O, expected CdBi18(Cl5O3)4 to be CdBi12(Cl7O6)2" +mp-1226921,CdBi8(Cl5O4)2,-4.9648496659,-1.642417107,0.0503629623,0.0503629623,GGA,Cmmm,A8BC10D8_oC54_65_2g2h_b_ac2g2h_r:Bi-Cd-Cl-O,27.0,"Invalid WP multiplicities - A8BC10D8_oC54_65_2g4h_b_ac2g4h_r:Bi-Cd-Cl-O, expected CdBi12(Cl7O4)2 to be CdBi8(Cl5O4)2" +mp-562541,Cs2Na3TlO4,-4.222834447,-1.4320565854,0.0,-0.0126654429,GGA,P2_1/c,A2B3C4D_mP40_14_2e_3e_4e_e:Cs-Na-O-Tl,40.0,"Invalid WP multiplicities - A2B3C4D_mP40_14_4e_11e_11e_e:Cs-Na-O-Tl, expected Cs4Na11TlO11 to be Cs2Na3TlO4" +mp-1204657,K8Tl10Zn,-1.9128246379,-0.1354895509,0.0,-0.0105958609,GGA,P4/nnc,A8B10C_tP38_126_k_ek_a:K-Tl-Zn,38.0,A8B10C_tP38_126_k_ek_a:K-Tl-Zn +mp-1198295,K6Na14Tl18Zn,-1.8848760064,-0.1165409285,0.0039766454,0.0039766454,GGA,Pm-3,A6B14C18D_cP39_200_f_gi_ek_b:K-Na-Tl-Zn,39.0,A6B14C18D_cP39_200_f_gi_ek_b:K-Na-Tl-Zn +mp-555829,Na2Pr4Cl9O2,-5.6140328141,-2.7729221689,0.0258102517,0.0258102517,GGA,P2_1/m,A9B2C2D4_mP34_11_3e3f_f_f_2ef:Cl-Na-O-Pr,34.0,"Invalid WP multiplicities - A9B2C2D4_mP34_11_6e12f_f_f_3e2f:Cl-Na-O-Pr, expected Na2Pr7(Cl15O)2 to be Na2Pr4Cl9O2" +mp-1221091,Nb6InTe8,-6.5074257973,-0.6070283896,0.049086282,0.049086282,GGA,P-6,AB6C8_hP15_174_a_jk_cfjk:In-Nb-Te,,AB6C8_hP15_174_a_jk_cfjk:In-Nb-Te +mp-1195222,NbIn(TeO4)2,-6.9493027981,-2.0565436109,0.0162569537,0.0162569537,GGA,Pca2_1,ABC8D2_oP48_29_a_a_8a_2a:In-Nb-O-Te,48.0,ABC8D2_oP48_29_a_a_8a_2a:In-Nb-O-Te +mp-1224718,La6TaGa11O28,-7.5646335898,-2.9278909719,0.0043867006,0.0043867006,GGA,P1,A11B6C28D_aP46_1_11a_6a_28a_a:Ga-La-O-Ta,46.0,A11B6C28D_aP46_1_11a_6a_28a_a:Ga-La-O-Ta +mp-1223200,La6TaGa11O28,-7.567326343499999,-2.9305837256,0.0016939469,0.0016939469,GGA,C2,A11B6C28D_mC92_5_a5c_ab2c_14c_b:Ga-La-O-Ta,46.0,"Invalid WP multiplicities - A11B6C28D_mC92_5_a9c_ab4c_28c_b:Ga-La-O-Ta, expected La10TaGa19O56 to be La6TaGa11O28" +mp-1211938,La3TaGa5O14,-7.7637016291,-2.9350094111,0.0581134912,0.0581134912,GGA,P321,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Ta,23.0,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Ta +mp-1227361,CaBi2Br2O3,-5.3615695725,-1.9074819558,0.1194653988,0.1194653988,GGA,P4/nmm,A2B2CD3_tP16_129_2c_2c_c_af:Bi-Br-Ca-O,16.0,A2B2CD3_tP16_129_2c_2c_c_af:Bi-Br-Ca-O +mp-1214078,Ca4Bi2Br4O3,-4.1094541238,-1.2821035674,1.0966310982,1.0966310982,GGA,P4/mmm,A2B4C4D3_tP13_123_g_2g_2g_ag:Bi-Br-Ca-O,13.0,A2B4C4D3_tP13_123_g_2g_2g_ag:Bi-Br-Ca-O +mp-1147545,RbPdC4Br,-5.7683225957,0.6071211446,1.1987055671,1.1987055671,GGA,I4/mmm,AB4CD_tI28_139_e_2h_ab_d:Br-C-Pd-Rb,14.0,AB4CD_tI28_139_e_2h_ab_d:Br-C-Pd-Rb +mp-10918,Rb2PdC2,-5.08200593,0.037650258,0.0559768661,0.0559768661,GGA,P-3m1,A2BC2_hP5_164_c_a_d:C-Pd-Rb,5.0,A2BC2_hP5_164_c_a_d:C-Pd-Rb +mp-1182608,Ce5Al2Ru3,-6.967515237,-0.4695347315,0.0112859424,0.0112859424,GGA,R3,A2B5C3_hR60_146_ab_a3b_2b:Al-Ce-Ru,20.0,A2B5C3_hR60_146_ab_a3b_2b:Al-Ce-Ru +mp-865967,Ce5Al2Ru3,-6.9690358965,-0.471055391,0.0097652829,0.0097652829,GGA,I2_13,A2B5C3_cI40_199_a_ab_b:Al-Ce-Ru,20.0,"Invalid WP multiplicities - A2B5C3_cI40_199_a_2a2b_b:Al-Ce-Ru, expected Ce10Al2Ru3 to be Ce5Al2Ru3" +mp-1226764,CeAlRu,-6.8025718183,-0.4848826433,0.1192296212,0.0777859446,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Ce-Ru,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Ce-Ru, expected Ce3(AlRu)2 to be CeAlRu" +mp-604008,CeAlRu,-6.9218014396,-0.6041122646,0.0,-0.0414436766,GGA,Pnma,ABC_oP24_62_2c_2c_2c:Al-Ce-Ru,24.0,"Invalid WP multiplicities - ABC_oP24_62_6c_5c_6c:Al-Ce-Ru, expected Ce5(AlRu)6 to be CeAlRu" +mp-1078316,Ce2AlRu2,-7.348753606,-0.516641762,0.0,-0.0108868218,GGA,Cmce,AB2C2_oC20_64_a_f_e:Al-Ce-Ru,10.0,AB2C2_oC20_64_a_f_e:Al-Ce-Ru +mp-1190720,Ce2AlRu,-6.7214179104,-0.4998787404,0.0,-0.046794542,GGA,P6_3cm,AB2C_hP24_185_ab_2c_c:Al-Ce-Ru,24.0,AB2C_hP24_185_ab_2c_c:Al-Ce-Ru +mp-31079,Ce3(Al3Ru)4,-5.9017575842,-0.6468213955000001,0.0,-0.0338822731,GGA,P6_3/mmc,A12B3C4_hP38_194_bfhk_h_ag:Al-Ce-Ru,38.0,"Invalid WP multiplicities - A12B3C4_hP38_194_bfh2k_h_ag:Al-Ce-Ru, expected Ce3(Al9Ru2)2 to be Ce3(Al3Ru)4" +mp-1071272,CeAl2BRu2,-7.0557771667,-0.6137042224,0.0278263634,0.0278263634,GGA,P4/mmm,A2BCD2_tP6_123_h_b_a_e:Al-B-Ce-Ru,6.0,A2BCD2_tP6_123_h_b_a_e:Al-B-Ce-Ru +mp-1226835,Ce2Al3Ru,-5.9213256525,-0.5251075958,0.0165570277,0.0165570277,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Al-Ce-Ru,12.0,A3B2C_hP12_194_h_f_a:Al-Ce-Ru +mp-567554,Ce2(Al5Ru)3,-5.3215210059,-0.5278698369,0.0,-0.0022189886,GGA,P6_3/mcm,A15B2C3_hP80_193_i2j2k_ag_i:Al-Ce-Ru,80.0,"Invalid WP multiplicities - A15B2C3_hP80_193_10i18j22k_2a2g_i:Al-Ce-Ru, expected Ce4(Al50Ru)3 to be Ce2(Al5Ru)3" +mp-31364,Ce(Al5Ru)2,-5.2801380108,-0.5157032004000001,0.0,-0.0213209246,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Ce-Ru,26.0,"Invalid WP multiplicities - A10BC2_oC52_63_4e8f8g_c_d:Al-Ce-Ru, expected Ce(Al20Ru)2 to be Ce(Al5Ru)2" +mp-11214,CaAgSb,-3.7497526658,-0.7607002914000001,0.0,-0.0978352134,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Ca-Sb,12.0,ABC_oP12_62_c_c_c:Ag-Ca-Sb +mp-1374044,Ca2AgSbO6,-6.2504647735,-2.1851758464,0.0443888208,0.0443888208,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Ag-Ca-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Ag-Ca-O-Sb, expected Ca2AgSbO16 to be Ca2AgSbO6" +mp-1221169,Na4Ge2PbS6,-4.3848638446,-1.0719789865,0.0,-0.0321580562,GGA,C2,A2B4CD6_mC26_5_c_a3b_a_3c:Ge-Na-Pb-S,13.0,"Invalid WP multiplicities - A2B4CD6_mC26_5_c_a3b_a_4c:Ge-Na-Pb-S, expected Na4Ge2PbS8 to be Na4Ge2PbS6" +mp-1198978,HoSbMo2O9,-8.1421434729,-2.3788428012,0.0175289495,0.0175289495,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:Ho-Mo-O-Sb,52.0,AB2C9D_mC104_15_2e_2f_9f_f:Ho-Mo-O-Sb +mp-1208349,TbMn4(CuO4)3,-7.4963663295,-1.8493507388,0.0378502008,0.0378502008,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Tb,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Tb +mp-555113,Rb3Cu2(BiS2)5,-4.4341776515,-0.8488296577000001,0.0,-0.014858487,GGA,Pnnm,A5B2C3D10_oP40_58_a2g_g_cg_5g:Bi-Cu-Rb-S,40.0,"Invalid WP multiplicities - A5B2C3D10_oP40_58_2a6g_g_2c2g_17g:Bi-Cu-Rb-S, expected Rb3CuBi7S17 to be Rb3Cu2(BiS2)5" +mp-12728,EuTmCuS3,-7.135748155,-1.9288492393,0.0,-0.0356782872,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Eu-S-Tm,12.0,ABC3D_oC24_63_c_c_cf_a:Cu-Eu-S-Tm +mp-1040964,ZnCu2(BiO4)2,-5.5203918154,-1.1578806692,0.1325410546,0.1325410546,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Bi-Cu-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_5e_6e_26e_e:Bi-Cu-O-Zn, expected ZnCu6Bi5O26 to be ZnCu2(BiO4)2" +mp-1042729,ZnCu3(BiO3)4,-5.609582866,-1.1956036323,0.1677907213,0.1677907213,GGA,Im-3,A4B3C12D_cI40_204_c_b_g_a:Bi-Cu-O-Zn,20.0,A4B3C12D_cI40_204_c_b_g_a:Bi-Cu-O-Zn +mp-1047766,ZnCuBi2O7,-5.4772533035,-1.1439124381,0.1843292538,0.1843292538,GGA,P2/c,A2BC7D_mP66_13_3g_eg_f10g_eg:Bi-Cu-O-Zn,66.0,"Invalid WP multiplicities - A2BC7D_mP66_13_9g_2e3g_2f38g_2e3g:Bi-Cu-O-Zn, expected Zn4Cu4(Bi3O13)3 to be ZnCuBi2O7" +mp-1043901,ZnCuBiO5,-5.3821085703,-1.1404981995,0.1319113585,0.1319113585,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Cu-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Cu-O-Zn, expected ZnCuBiO15 to be ZnCuBiO5" +mp-1042456,ZnCuBiO5,-5.3607265439,-1.1191161731,0.1532933849,0.1532933849,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Cu-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Cu-O-Zn, expected ZnCuBiO31 to be ZnCuBiO5" +mp-1218085,Ta6Cr3Ni3C2,-10.0355662036,-0.3281698311,0.0552639818,0.0552639818,GGA,Imm2,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Ni-Ta,28.0,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Ni-Ta +mp-1220176,Pr2InCuS5,-5.7531258203,-1.6314645709,0.0017569553,0.0017569553,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Pr-S,36.0,ABC2D5_oP36_62_c_c_2c_5c:Cu-In-Pr-S +mp-1358881,MgBiAsO5,-6.3811899616,-2.0270235689,0.0949454568,0.0949454568,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Bi-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Bi-Mg-O +mp-1342072,MgBiAsO6,-6.040071145,-1.6200689392,0.2885380898,0.2885380898,GGA,P2_1/m,ABCD6_mP18_11_e_e_e_2e2f:As-Bi-Mg-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_11_e_e_e_4e6f:As-Bi-Mg-O, expected MgBiAsO16 to be MgBiAsO6" +mp-1234254,MgBi12AsO20,-6.0579191638,-1.6085355685,0.1185438223,0.1185438223,GGA,R3,AB12CD20_hR102_146_a_4b_a_2a6b:As-Bi-Mg-O,34.0,"Invalid WP multiplicities - AB12CD20_hR102_146_a_12b_a_2a16b:As-Bi-Mg-O, expected MgBi36AsO50 to be MgBi12AsO20" +mp-561518,Mg2BiAsO6,-6.456657328,-2.3186273378,0.0020017107,0.0020017107,GGA,Cmcm,ABC2D6_oC40_63_c_c_g_efg:As-Bi-Mg-O,20.0,"Invalid WP multiplicities - ABC2D6_oC40_63_c_c_g_3e3f4g:As-Bi-Mg-O, expected Mg2BiAsO20 to be Mg2BiAsO6" +mp-1342713,Mg3Bi2(AsO6)2,-6.2391485458,-1.9675527692,0.1806628039,0.1806628039,GGA,Pm,A2B2C3D12_mP19_6_ab_ab_2ab_2a2b4c:As-Bi-Mg-O,19.0,"Invalid WP multiplicities - A2B2C3D12_mP19_6_ab_ab_2ab_2a2b8c:As-Bi-Mg-O, expected Mg3Bi2(AsO10)2 to be Mg3Bi2(AsO6)2" +mp-1221015,NaMoAsO6,-7.0881068544,-1.9206150682,0.0009656489,-0.0038288671,GGA+U,P2_12_12_1,ABCD6_oP36_19_a_a_a_6a:As-Mo-Na-O,36.0,ABCD6_oP36_19_a_a_a_6a:As-Mo-Na-O +mp-622602,NaMoAsO6,-7.0890725033,-1.9215807171,0.0,-0.0047945159,GGA+U,Pca2_1,ABCD6_oP72_29_2a_2a_2a_12a:As-Mo-Na-O,72.0,"Invalid WP multiplicities - ABCD6_oP72_29_5a_6a_3a_43a:As-Mo-Na-O, expected Na3Mo6As5O43 to be NaMoAsO6" +mp-1221374,Na2MoAs2O9,-6.7233427736,-1.9141187801,0.0014912246,0.0014912246,GGA+U,P2_1,A2BC2D9_mP56_4_4a_2a_4a_18a:As-Mo-Na-O,56.0,A2BC2D9_mP56_4_4a_2a_4a_18a:As-Mo-Na-O +mp-1181288,Na2Mo2As3O16,-6.1857312187,-1.0787431577,0.6675610181,0.6675610181,GGA+U,P-1,A3B2C2D16_aP46_2_3i_2i_2i_16i:As-Mo-Na-O,46.0,A3B2C2D16_aP46_2_3i_2i_2i_16i:As-Mo-Na-O +mp-1203284,Na2Mo2As3O16,-6.2106064024,-1.1036183414,0.6426858345,0.6426858345,GGA+U,P-1,A3B2C2D16_aP46_2_3i_2i_2i_16i:As-Mo-Na-O,46.0,A3B2C2D16_aP46_2_3i_2i_2i_16i:As-Mo-Na-O +mp-1247111,MgFeMoS4,-6.2092233407,-0.8575446496,0.3532557743,0.3532557743,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Fe-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Fe-Mg-Mo-S, expected MgFeMoS12 to be MgFeMoS4" +mp-1246534,Mg2FeMo3S8,-6.3734747021,-0.8521082325,0.39962124,0.39962124,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Fe-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Fe-Mg-Mo-S, expected Mg2FeMo3S16 to be Mg2FeMo3S8" +mp-1022162,Mg6FeMo,-3.3564571725,0.25821178,0.2699692372,0.2699692372,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Mo, expected Mg12FeMo to be Mg6FeMo" +mp-1099281,Mg6FeMo,-3.3000594075,0.314609545,0.3263670022,0.3263670022,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Mo,8.0,AB6C_oC16_38_a_2bde_a:Fe-Mg-Mo +mp-2233307,MgFe(Mo3S4)2,-7.6687876131,-0.9040500597,0.0946251414,0.0946251414,GGA,P1,ABC6D8_aP16_1_a_a_6a_8a:Fe-Mg-Mo-S,16.0,ABC6D8_aP16_1_a_a_6a_8a:Fe-Mg-Mo-S +mp-1247178,Mg2Fe3MoS8,-6.0276181629,-0.8456272504000001,0.2894346096,0.2894346096,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Fe-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Fe-Mg-Mo-S, expected Mg2Fe3MoS22 to be Mg2Fe3MoS8" +mp-1027831,Mg14FeMo,-2.4149770031,0.1924974981,0.2056008717,0.2056008717,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Mo, expected Mg18FeMo to be Mg14FeMo" +mp-1027810,Mg14FeMo,-2.4280380825,0.1794364187,0.1925397924,0.1925397924,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Mo, expected Mg26FeMo to be Mg14FeMo" +mp-1208796,Sr4SiP4,-4.7831061131,-1.0234947942,0.0,-0.0927957816,GGA,P-43n,A4BC4_cP72_218_ei_ac_ei:P-Si-Sr,72.0,A4BC4_cP72_218_ei_ac_ei:P-Si-Sr +mp-1221153,Na4Sr2SiP4,-3.9108662686,-0.6610829834,0.0,-0.0118789441,GGA,Cc,A4B4CD2_mC44_9_4a_4a_a_2a:Na-P-Si-Sr,22.0,"Invalid WP multiplicities - A4B4CD2_mC44_9_7a_7a_a_4a:Na-P-Si-Sr, expected Na7Sr4SiP7 to be Na4Sr2SiP4" +mp-1191776,La3AlNiS7,-6.3791740358,-1.9384337947,0.0326314752,0.0326314752,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Ni-S +mp-542168,Cs2CoSiO4,-6.5693125281,-2.3054131014,0.0,-0.0264383451,GGA+U,Cmc2_1,AB2C4D_oC32_36_a_2a_2ab_a:Co-Cs-O-Si,32.0,AB2C4D_oC32_36_a_2a_2ab_a:Co-Cs-O-Si +mp-1215458,YbScAl4,-4.1874919383,-0.3784284875,0.036793585,0.036793585,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Sc-Yb,,A4BC_cF24_216_e_a_c:Al-Sc-Yb +mp-1207682,Yb3Sc2Al3O12,-7.7437546493,-3.3497168955,0.057759384,0.057759384,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Yb,,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Yb +mp-1212345,Nd10Ti9GaO34,-9.0230731093,-3.6535098744,0.0191992599,0.0191992599,GGA,P2_1/c,AB10C34D9_mP108_14_a_5e_17e_b4e:Ga-Nd-O-Ti,108.0,AB10C34D9_mP108_14_a_5e_17e_b4e:Ga-Nd-O-Ti +mp-1221051,Nd5Ti4GaO17,-8.8776479073,-3.5982216354,0.0175698536,0.0175698536,GGA,Pc,AB5C17D4_mP108_7_2a_10a_34a_8a:Ga-Nd-O-Ti,108.0,"Invalid WP multiplicities - AB5C17D4_mP108_7_2a_15a_51a_11a:Ga-Nd-O-Ti, expected Nd15Ti11Ga2O51 to be Nd5Ti4GaO17" +mp-28135,NbXeF11,-4.3746638385,-1.9774524652,0.0005065684,0.0005065684,GGA,Pnma,A11BC_oP52_62_5c3d_c_c:F-Nb-Xe,52.0,"Invalid WP multiplicities - A11BC_oP52_62_5c4d_c_c:F-Nb-Xe, expected NbXeF13 to be NbXeF11" +mp-1192672,BaNb2Xe5F22,-4.341135815,-2.1959693765,0.0,-0.0449265467,GGA,Fmmm,AB22C2D5_oF120_69_a_gmnop_c_bde:Ba-F-Nb-Xe,30.0,AB22C2D5_oF120_69_a_gmnop_c_bde:Ba-F-Nb-Xe +mp-1111744,Na2YCuBr6,-3.892012348,-1.639122513,0.179029928,0.179029928,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-Na-Y +mp-27546,CaClF,-5.4273697433,-3.5054979075,0.0083916117,0.0083916117,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ca-Cl-F,6.0,ABC_tP6_129_c_c_a:Ca-Cl-F +mp-1218392,Sr3Ca(ClF)4,-5.4062148092,-3.56336958,0.0125927817,0.0125927817,GGA,P4mm,AB4C4D3_tP12_99_a_2a2b_2c_a2b:Ca-Cl-F-Sr,12.0,"Invalid WP multiplicities - AB4C4D3_tP12_99_a_2a2b_4c_a2b:Ca-Cl-F-Sr, expected Sr3Ca(ClF2)4 to be Sr3Ca(ClF)4" +mp-1206596,Ca2Cl2F,-3.716313934,-1.7923635245,1.15701957,1.15701957,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ca-Cl-F,5.0,A2B2C_tP5_123_g_g_a:Ca-Cl-F +mp-570306,TlGaI4,-2.7657813442,-0.8850805826,0.0,-0.0383775579,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ga-I-Tl,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Ga-I-Tl, expected TlGaI15 to be TlGaI4" +mp-1114169,Rb2TlGaI6,-2.725066875,-1.1058663336,0.1136514495,0.1136514495,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ga-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ga-I-Rb-Tl +mp-1212708,Gd2NiPtO6,-9.483252386,-2.5148877112,0.0,-0.044820442,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Gd-Ni-O-Pt,20.0,A2BC6D_mP20_14_e_a_3e_b:Gd-Ni-O-Pt +mp-1227475,BeTlAsO4,-6.40648651,-2.0424966155,0.0,-0.0899296894,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:As-Be-O-Tl,28.0,ABC4D_oP28_33_a_a_4a_a:As-Be-O-Tl +mp-542767,Sr2TmRuO6,-7.5724372175,-2.8915015037,0.0,-0.0294723354,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Ru-Sr-Tm,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Ru-Sr-Tm +mp-1227481,Ca2NdRuO6,-7.6032359585,-2.8298477585,0.0,-0.026466237,GGA,Pc,A2BC6D_mP20_7_2a_a_6a_a:Ca-Nd-O-Ru,20.0,A2BC6D_mP20_7_2a_a_6a_a:Ca-Nd-O-Ru +mp-1214498,Ca3Nd8(RuO6)4,-8.0857493921,-2.9580540503,0.0046849248,0.0046849248,GGA,I4_1,A3B8C24D4_tI156_80_3a_4b_12b_2b:Ca-Nd-O-Ru,78.0,A3B8C24D4_tI156_80_3a_4b_12b_2b:Ca-Nd-O-Ru +mp-1113675,Rb2NaIrF6,-4.913797345,-2.5547072027,0.0,-0.0048122587,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ir-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ir-Na-Rb +mp-738639,Ba14Ir8(PdO11)3,-6.881706854,-2.1169914143,0.0,-0.006271824,GGA,C2,A14B8C33D3_mC348_5_ab20c_12c_a49c_b4c:Ba-Ir-O-Pd,174.0,"Invalid WP multiplicities - A14B8C33D3_mC348_5_ab39c_12c_a97c_b4c:Ba-Ir-O-Pd, expected Ba80Ir24(Pd3O65)3 to be Ba14Ir8(PdO11)3" +mp-680547,Ba14Ir8(PdO11)3,-6.8609630577,-2.096247618,0.0207437963,0.0144719724,GGA,P321,A14B8C33D3_hP174_150_ef6g_4c8d_e16g_bc3d:Ba-Ir-O-Pd,174.0,"Invalid WP multiplicities - A14B8C33D3_hP174_150_3e3f33g_7c15d_3e93g_bc6d:Ba-Ir-O-Pd, expected Ba216Ir44(Pd5O189)3 to be Ba14Ir8(PdO11)3" +mp-540634,TaTl(GeO3)3,-7.5247679079,-2.3383605691,0.0,-0.0423946047,GGA,P-6c2,A3B9CD_hP28_188_k_kl_a_c:Ge-O-Ta-Tl,28.0,A3B9CD_hP28_188_k_kl_a_c:Ge-O-Ta-Tl +mp-9523,Rb(ThSe3)2,-5.8833921489000005,-1.7963122113,0.0,-0.0704137531,GGA,Immm,AB6C2_oI18_71_a_em_f:Rb-Se-Th,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2e2m_f:Rb-Se-Th, expected Rb(ThSe6)2 to be Rb(ThSe3)2" +mp-585963,Rb7Th2(P2Se7)3,-4.6378878989,-1.0938487023,0.0,-0.0191907599,GGA,P-1,A6B7C21D2_aP72_2_6i_7i_21i_2i:P-Rb-Se-Th,72.0,"Invalid WP multiplicities - A6B7C21D2_aP72_2_12i_14i_42i_3i:P-Rb-Se-Th, expected Rb14Th3(P2Se7)6 to be Rb7Th2(P2Se7)3" +mp-541947,Rb2Th(PSe3)3,-4.8443451548,-1.0391426739,0.0,-0.0248000899,GGA,P1,A3B2C9D_aP60_1_12a_8a_36a_4a:P-Rb-Se-Th,60.0,A3B2C9D_aP60_1_12a_8a_36a_4a:P-Rb-Se-Th +mp-1201494,Rb2Th7Se15,-6.4282633192,-1.99923215,0.0,-0.0589707395,GGA,P2_1/c,A2B15C7_mP96_14_2e_15e_7e:Rb-Se-Th,96.0,A2B15C7_mP96_14_2e_15e_7e:Rb-Se-Th +mp-1183972,CsSrO3,-4.870726622,-1.3857342302,0.43377394,0.43377394,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Sr,5.0,AB3C_cP5_221_a_c_b:Cs-O-Sr +mp-753801,Cs2Sr2O3,-5.05960786,-2.2010567479,0.0672390086,0.0672390086,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Cs-O-Sr,14.0,A2B3C2_mP14_14_e_ae_e:Cs-O-Sr +mp-7181,CsSr2Ta3O10,-8.9390664163,-3.3569033362000003,0.0,-0.0006810885,GGA,P4/mmm,AB10C2D3_tP16_123_c_e2gi_h_bg:Cs-O-Sr-Ta,16.0,AB10C2D3_tP16_123_c_e2gi_h_bg:Cs-O-Sr-Ta +mp-1104253,Lu3Ga8Cu3,-4.0119384907,-0.4344213657,0.0,-0.00749557,GGA,Immm,A3B8C3_oI28_71_bf_2n_ag:Cu-Ga-Lu,14.0,A3B8C3_oI28_71_bf_2n_ag:Cu-Ga-Lu +mp-865806,LuGaCu2,-4.29203492,-0.3551699494,0.0323806542,0.0323806542,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Lu,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Lu +mp-1222365,Lu2Ga3Cu,-4.2760860067,-0.5718533771000001,0.0,-0.0474203303,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Lu,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Lu +mp-973996,Lu2GaCu,-4.4881101875,-0.4458092544,0.0031757766,0.0031757766,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Lu,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Lu +mp-1222317,LuGaCuO4,-6.9711145814,-2.4803991446,0.0897547767,0.0897547767,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Cu-Ga-Lu-O,7.0,ABCD4_hR21_160_a_a_a_4a:Cu-Ga-Lu-O +mp-16451,BaPr2CoS5,-6.2991632261,-1.9356794951,0.0506318812,0.0506318812,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-Pr-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-Pr-S +mp-673682,Tb2YbS4,-6.3117399314,-2.4040056532,0.0069387789,0.0069387789,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Tb-Yb,,A4B2C_tI28_122_e_d_a:S-Tb-Yb +mp-13292,TbYb2PrS6,-5.8239692860000005,-2.0926505244,0.1473319018,0.1473319018,GGA,P2_1/m,AB6CD2_mP20_11_e_6e_e_2e:Pr-S-Tb-Yb,,AB6CD2_mP20_11_e_6e_e_2e:Pr-S-Tb-Yb +mp-560796,La4Mn(Cu3S5)2,-5.9506356405,-1.4332174309,0.0028658971,0.0028658971,GGA,P-1,A6B4CD10_aP21_2_3i_2i_a_5i:Cu-La-Mn-S,21.0,"Invalid WP multiplicities - A6B4CD10_aP21_2_4i_3i_a_9i:Cu-La-Mn-S, expected La6Mn(Cu4S9)2 to be La4Mn(Cu3S5)2" +mp-1195248,CsCrAs2O7,-6.9219262852,-1.9679710461,0.0,-0.0326496963,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Cr-Cs-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Cr-Cs-O +mp-2217290,MgTl2(SbO3)2,-5.5911047627,-1.5671319363,0.3031343464,0.3031343464,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Sb-Tl,11.0,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Sb-Tl +mp-2222780,MgTl2(SbO3)2,-5.4868592245,-1.4628863981,0.4073798846,0.4073798846,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sb-Tl,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sb-Tl +mp-2217989,MgTl2(SbO3)2,-5.6849617273,-1.6609889008,0.2092773818,0.2092773818,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sb-Tl,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sb-Tl +mp-561622,Cs2AgAsS4,-4.1144364712,-0.8859016438,0.0,-0.0470857247,GGA,P-1,ABC2D4_aP16_2_i_i_2i_4i:Ag-As-Cs-S,16.0,"Invalid WP multiplicities - ABC2D4_aP16_2_i_i_4i_7i:Ag-As-Cs-S, expected Cs4AgAsS7 to be Cs2AgAsS4" +mp-866615,CsAg2AsS3,-4.0332748743,-0.6577059622,0.0,-0.0419297014,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:Ag-As-Cs-S,28.0,A2BCD3_mP28_14_2e_e_e_3e:Ag-As-Cs-S +mp-997161,CoAuO2,-6.0294218,-0.9605274956,0.0,-0.0737378214,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Au-Co-O,4.0,ABC2_hR12_166_a_b_c:Au-Co-O +mp-997158,CoAuO2,-6.0293494013,-0.9604550969,7.23987e-05,-0.0736654226,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Au-Co-O,8.0,ABC2_hP8_194_c_a_f:Au-Co-O +mp-1183686,CoAuO3,-5.270631246,-0.2261780603,0.621015076,0.621015076,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Au-Co-O,5.0,ABC3_cP5_221_a_b_c:Au-Co-O +mp-561744,Na4CoAuO5,-5.1154672614,-1.4422177591,0.0021143839,0.0021143839,GGA+U,Cmcm,ABC4D5_oC44_63_a_c_eg_ch:Au-Co-Na-O,22.0,"Invalid WP multiplicities - ABC4D5_oC44_63_a_c_2e3g_c2h:Au-Co-Na-O, expected Na10CoAuO9 to be Na4CoAuO5" +mp-1221099,NaBiTe2,-3.5234847825,-0.66107823,0.096602615,0.0582077375,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-Na-Te,4.0,ABC2_tP4_123_a_d_bc:Bi-Na-Te +mp-1221102,NaBiTe2,-3.6200873975,-0.757680845,0.0,-0.0383948775,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Na-Te,4.0,ABC2_hR12_166_a_b_c:Bi-Na-Te +mp-1221124,NaBiTeO5,-5.8698410825,-1.7398705984,0.0,-0.0294816241,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_ab:Bi-Na-O-Te,32.0,ABC5D_mP32_14_e_e_5e_ab:Bi-Na-O-Te +mp-1044499,PrZn(SnO3)2,-6.6679884965,-2.2939959622,0.1712058348,0.1712058348,GGA,Pmn2_1,A6BC2D_oP20_31_2a2b_a_b_a:O-Pr-Sn-Zn,20.0,"Invalid WP multiplicities - A6BC2D_oP20_31_4a4b_a_b_a:O-Pr-Sn-Zn, expected PrZn(SnO6)2 to be PrZn(SnO3)2" +mp-1189436,Pr2Zn5Sn,-2.94296341,-0.4592007331,0.0,-0.0126564302,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:Pr-Sn-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:Pr-Sn-Zn +mp-22293,PrZnSn,-3.9960339567,-0.6459602167,0.0,-0.0677849676,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Pr-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Pr-Sn-Zn +mp-755522,Li4Cr3GaO8,-7.3334047084,-2.3836272341,0.018193997,0.018193997,GGA+U,P-1,A3BC4D8_aP16_2_ai_b_2i_4i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP16_2_2b2i_d_2i_4i:Cr-Ga-Li-O, expected Li4Cr6GaO8 to be Li4Cr3GaO8" +mp-768686,Li4Cr3GaO8,-7.3298296178,-2.3800521435,0.0217690877,0.0217690877,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_abcg2i_8i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_5i_i_abcg4i_16i:Cr-Ga-Li-O, expected Li6Cr5GaO16 to be Li4Cr3GaO8" +mp-768690,Li4Cr3GaO8,-7.3298411362,-2.3800636619,0.0217575692,0.0217575692,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_ac3i_8i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_6i_i_ac4i_16i:Cr-Ga-Li-O, expected Li5Cr6GaO16 to be Li4Cr3GaO8" +mp-768746,Li4Cr3GaO8,-7.3299048081,-2.3801273338,0.0216938973,0.0216938973,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_bc3i_8i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_5i_i_bc5i_16i:Cr-Ga-Li-O, expected Li6Cr5GaO16 to be Li4Cr3GaO8" +mp-768748,Li4Cr3GaO8,-7.3298356819,-2.3800582076,0.0217630236,0.0217630236,GGA+U,P-1,A3BC4D8_aP32_2_bc2i_i_4i_8i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_bc4i_i_7i_13i:Cr-Ga-Li-O, expected Li7Cr5GaO13 to be Li4Cr3GaO8" +mp-768872,Li4Cr3GaO8,-7.3296462784,-2.3798688041,0.021952427,0.021952427,GGA+U,P-1,A3BC4D8_aP32_2_ac2i_i_4i_8i:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_ac4i_i_8i_13i:Cr-Ga-Li-O, expected Li8Cr5GaO13 to be Li4Cr3GaO8" +mp-754247,Li4Cr3GaO8,-7.3333583372,-2.3835808629,0.0182403683,0.0182403683,GGA+U,P2/m,A3BC4D8_mP16_10_aj_b_ghk_mno:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_mP16_10_2a2j_b_cfl_mno:Cr-Ga-Li-O, expected Li4Cr6GaO8 to be Li4Cr3GaO8" +mp-756266,Li4Cr3GaO8,-7.3329187306,-2.3831412563,0.0186799748,0.0186799748,GGA+U,C2/m,A3BC4D8_mC32_12_ah_b_ei_2ij:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_mC32_12_2a2h_b_fi_2ij:Cr-Ga-Li-O, expected Li4Cr6GaO8 to be Li4Cr3GaO8" +mp-768728,Li4Cr3GaO8,-7.3327957919,-2.3830183176,0.0188029136,0.0188029136,GGA+U,C2/m,A3BC4D8_mC32_12_ae_b_hi_2ij:Cr-Ga-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_mC32_12_2a2e_b_hi_2ij:Cr-Ga-Li-O, expected Li4Cr6GaO8 to be Li4Cr3GaO8" +mp-770660,Li12CrGa11O24,-6.1783636494,-2.3327447496,0.0492450973,0.0492450973,GGA+U,P1,AB11C12D24_aP48_1_a_11a_12a_24a:Cr-Ga-Li-O,48.0,AB11C12D24_aP48_1_a_11a_12a_24a:Cr-Ga-Li-O +mp-803565,Li3Cr3GaO8,-4.180841993,0.9716591218,3.313854209,3.313854209,GGA+U,P1,A3BC3D8_aP30_1_6a_2a_6a_16a:Cr-Ga-Li-O,30.0,A3BC3D8_aP30_1_6a_2a_6a_16a:Cr-Ga-Li-O +mp-1372590,Li3Cr3GaO8,-6.074832165,-0.9223310502,1.419864037,1.419864037,GGA+U,P1,A3BC3D8_aP30_1_6a_2a_6a_16a:Cr-Ga-Li-O,30.0,A3BC3D8_aP30_1_6a_2a_6a_16a:Cr-Ga-Li-O +mp-756775,Li4CrGa3O8,-6.4115470822,-2.2898885388,0.0970591542,0.0970591542,GGA+U,P1,AB3C4D8_aP16_1_a_3a_4a_8a:Cr-Ga-Li-O,32.0,AB3C4D8_aP16_1_a_3a_4a_8a:Cr-Ga-Li-O +mp-531245,Co2SnO4,-7.0568618041,-1.6264386199,0.019447698,0.0114267551,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Co-O-Sn,70.0,A2B4C_aP70_1_20a_40a_10a:Co-O-Sn +mp-1328763,Co2SnO4,-6.6279491733,-1.197525989,0.4483603289,0.440339386,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Co-O-Sn,70.0,A2B4C_aP70_1_20a_40a_10a:Co-O-Sn +mp-36028,Co2SnO4,-7.0763095021,-1.6458863179,0.0,-0.0080209429,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Sn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_2hi_c:Co-O-Sn, expected Co2SnO6 to be Co2SnO4" +mp-850192,Co5SnO12,-6.6561686511,-1.1610894642,0.0916715394,0.0916715394,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Co-O-Sn,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2gh_4i5j_c:Co-O-Sn, expected Co7SnO28 to be Co5SnO12" +mp-1093873,ZnCo2Sn,-2.728321535,2.1431662287,2.2265157027,2.2265157027,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Sn-Zn,4.0,A2BC_oI8_71_e_a_b:Co-Sn-Zn +mp-771769,Co3SnO8,-6.6863485042,-1.2773455933,0.06097233,0.06097233,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-Sn,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-Sn, expected Co3SnO30 to be Co3SnO8" +mp-1334806,ZnCoSn2O7,-6.1816767539,-1.5440380181,0.2368182288,0.2368182288,GGA+U,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Co-O-Sn-Zn,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_2e_17e_7e_3e:Co-O-Sn-Zn, expected Zn3Co2Sn7O17 to be ZnCoSn2O7" +mp-752613,CoSnO3,-6.899944683,-1.7083535262,0.0762659565,0.0762659565,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Co-O-Sn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Co-O-Sn, expected CoSnO7 to be CoSnO3" +mp-761574,CoSnO3,-6.941385222,-1.7497940652,0.0348254175,0.0348254175,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Sn,20.0,AB3C_hR30_148_c_f_c:Co-O-Sn +mp-1183692,CoSnO3,-6.292458916,-1.1008677593,0.6837517235,0.6837517235,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Sn,5.0,AB3C_cP5_221_b_c_a:Co-O-Sn +mp-1223361,La6Si2NiS14,-6.5015788004,-1.973008648,0.0,-0.0044531186,GGA,P3,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Ni-S-Si,23.0,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Ni-S-Si +mp-504650,La3CuSiS7,-6.3817153738,-1.9410741168,0.0,-0.0536197044,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Cu-La-S-Si +mp-14969,BaErCuS3,-5.7912007308,-1.9586590607,0.0,-0.0743021475,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Er-S,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Er-S +mp-759044,Li9Mg(Ni6O13)2,-5.8941228502000005,-1.3783700897,0.0320826103,0.0320826103,GGA+U,P1,A9BC12D26_aP48_1_9a_a_12a_26a:Li-Mg-Ni-O,48.0,A9BC12D26_aP48_1_9a_a_12a_26a:Li-Mg-Ni-O +mp-756920,Li2MgNi3O8,-5.8653719329000005,-1.4130829676,0.0645781118,0.0645781118,GGA+U,C2/m,A2BC3D8_mC28_12_cd_a_be_2ij:Li-Mg-Ni-O,14.0,A2BC3D8_mC28_12_ab_c_de_2ij:Li-Mg-Ni-O +mp-1028360,LiMg14Ni,-1.86856188,0.0122493854,0.0721918351,0.0721918351,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Ni, expected LiMg18Ni to be LiMg14Ni" +mp-1028381,LiMg14Ni,-1.8648675344,0.015943731,0.0758861807,0.0758861807,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Ni, expected LiMg26Ni to be LiMg14Ni" +mp-771050,Li7MgNi7O16,-5.87581471,-1.5348238630000002,0.0179734303,0.0179734303,GGA+U,P-1,A7BC7D16_aP31_2_b3i_a_c3i_8i:Li-Mg-Ni-O,31.0,"Invalid WP multiplicities - A7BC7D16_aP31_2_b6i_a_c5i_15i:Li-Mg-Ni-O, expected Li13MgNi11O30 to be Li7MgNi7O16" +mp-769526,Li7MgNi7O16,-5.8353484565,-1.4943576095,0.0584396839,0.0584396839,GGA+U,C2,A7BC7D16_mC62_5_3a2c_a_3b2c_8c:Li-Mg-Ni-O,31.0,"Invalid WP multiplicities - A7BC7D16_mC62_5_3a4c_a_3b4c_16c:Li-Mg-Ni-O, expected Li11MgNi11O32 to be Li7MgNi7O16" +mp-769522,Li13Mg(Ni6O13)2,-5.8748878056,-1.5596604216,0.0091557993,0.0091557993,GGA+U,P-1,A13BC12D26_aP52_2_a6i_b_6i_13i:Li-Mg-Ni-O,52.0,"Invalid WP multiplicities - A13BC12D26_aP52_2_a11i_b_11i_25i:Li-Mg-Ni-O, expected Li23Mg(Ni11O25)2 to be Li13Mg(Ni6O13)2" +mp-1185377,LiMg2Ni,-2.84229232,-0.1198874083,0.010779779,0.010779779,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Ni,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Ni +mp-1280637,Li4MgNi3O8,-5.8484301656,-1.7140619627,0.0126790015,0.0126790015,GGA+U,C2/m,A4BC3D8_mC32_12_abe_c_df_2ij:Li-Mg-Ni-O,32.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_abf_c_2d2e_2ij:Li-Mg-Ni-O, expected Li4Mg(Ni3O4)2 to be Li4MgNi3O8" +mp-1290742,Li4MgNi3O8,-5.8494322475,-1.7150640446,0.0116769197,0.0116769197,GGA+U,P2/c,A4BC3D8_mP32_13_bd2f_e_ace_4g:Li-Mg-Ni-O,32.0,"Invalid WP multiplicities - A4BC3D8_mP32_13_2a2c2f_e_2b2de_7g:Li-Mg-Ni-O, expected Li6MgNi5O14 to be Li4MgNi3O8" +mp-1282789,Li4MgNi3O8,-5.8506537669,-1.716285564,0.0104554003,0.0104554003,GGA+U,C2/c,A4BC3D8_mC64_15_cdf_e_abe_4f:Li-Mg-Ni-O,32.0,"Invalid WP multiplicities - A4BC3D8_mC64_15_abf_e_2c2de_10f:Li-Mg-Ni-O, expected Li4Mg(NiO4)5 to be Li4MgNi3O8" +mp-756312,Li4MgNi3O8,-5.8419965931,-1.7076283902,0.019112574,0.019112574,GGA+U,R-3m,A4BC3D8_hR48_166_ae_b_d_ch:Li-Mg-Ni-O,16.0,"Invalid WP multiplicities - A4BC3D8_hR48_166_a2e_b_d_c2h:Li-Mg-Ni-O, expected Li7MgNi3O14 to be Li4MgNi3O8" +mp-1021999,LiMg6Ni,-2.1374339175,0.0239085633,0.1170426144,0.1170426144,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Ni, expected LiMg12Ni to be LiMg6Ni" +mp-1099290,LiMg6Ni,-2.1328622325,0.0284802483,0.1216142994,0.1216142994,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:Li-Mg-Ni +mp-1304218,Li3MgNi3O8,-5.829958888,-1.5472276627,0.0633134116,0.0633134116,GGA+U,P1,A3BC3D8_aP15_1_3a_a_3a_8a:Li-Mg-Ni-O,30.0,A3BC3D8_aP15_1_3a_a_3a_8a:Li-Mg-Ni-O +mp-772324,Li3MgNi3O8,-5.829981431,-1.5472502057000002,0.0632908686,0.0632908686,GGA+U,P2,A3BC3D8_mP15_3_2bd_a_a2c_4e:Li-Mg-Ni-O,30.0,"Invalid WP multiplicities - A3BC3D8_aP15_1_3a_a_6a_8a:Li-Mg-Ni-O, expected Li3Mg(Ni3O4)2 to be Li3MgNi3O8" +mp-771690,Li3MgNi3O8,-5.8221422367,-1.5394110113,0.0711300629,0.0711300629,GGA+U,P2/m,A3BC3D8_mP15_10_gk_a_bj_mno:Li-Mg-Ni-O,15.0,"Invalid WP multiplicities - A3BC3D8_mP15_10_cl_a_b2j_mn2o:Li-Mg-Ni-O, expected Li3MgNi5O12 to be Li3MgNi3O8" +mp-759215,Li6Mg(Ni6O13)2,-5.9030896538,-1.2135482337,0.059587534,0.059587534,GGA+U,P1,A6BC12D26_aP45_1_6a_a_12a_26a:Li-Mg-Ni-O,45.0,A6BC12D26_aP45_1_6a_a_12a_26a:Li-Mg-Ni-O +mp-776409,Li3MgNiO4,-5.6233616679,-1.9684794263,0.0654463778,0.0654463778,GGA+U,I4_1/a,A3BCD4_tI144_88_3f_f_f_4f:Li-Mg-Ni-O,72.0,"Invalid WP multiplicities - A3BCD4_tI144_88_19f_f_f_27f:Li-Mg-Ni-O, expected Li19MgNiO27 to be Li3MgNiO4" +mp-756610,Li3Mg(NiO2)4,-6.0246384887,-1.6483194225000002,0.0115698113,0.0115698113,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Li-Mg-Ni-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_a2e_c2h:Li-Mg-Ni-O, expected Li3Mg(NiO2)7 to be Li3Mg(NiO2)4" +mp-769569,Li6MgNi7O16,-5.8773806423,-1.4553208627,0.0335970581,0.0335970581,GGA+U,P-1,A6BC7D16_aP30_2_3i_b_c3i_8i:Li-Mg-Ni-O,30.0,"Invalid WP multiplicities - A6BC7D16_aP30_2_4i_b_c5i_15i:Li-Mg-Ni-O, expected Li8MgNi11O30 to be Li6MgNi7O16" +mp-12091,Tl(FeS)2,-6.016536648,-0.5014195879,0.1067248747,0.1067248747,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-S-Tl,5.0,A2B2C_tI10_139_d_e_a:Fe-S-Tl +mp-1216837,Tl2FeCu3S4,-4.685462208,-0.4815895099,0.027027751,0.027027751,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Cu-Fe-S-Tl,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Cu-Fe-S-Tl, expected Tl2FeCu3S8 to be Tl2FeCu3S4" +mp-17488,Tl2Fe3S4,-5.7794321617,-0.5926377849000001,0.0830782847,0.0830782847,GGA,Ibam,A3B4C2_oI36_72_af_k_j:Fe-S-Tl,18.0,A3B4C2_oI36_72_af_k_j:Fe-S-Tl +mp-3849,TlFeS2,-5.3985815225,-0.6221904999,0.0770734265,0.0770734265,GGA,C2/m,AB2C_mC16_12_g_2i_i:Fe-S-Tl,8.0,AB2C_mC16_12_g_2i_i:Fe-S-Tl +mp-12776,TlFeS2,-5.2681404525,-0.4917494299,0.2075144965,0.2075144965,GGA,I-4m2,AB2C_tI8_119_c_e_a:Fe-S-Tl,4.0,AB2C_tI8_119_c_e_a:Fe-S-Tl +mp-1103174,TlFe2S3,-5.9417985175,-0.6564593230000001,0.062354946,0.062354946,GGA,Cmcm,A2B3C_oC24_63_e_cg_c:Fe-S-Tl,12.0,A2B3C_oC24_63_e_cg_c:Fe-S-Tl +mp-541140,Tl3(FeS2)2,-5.0797590619,-0.5715622478,0.0780866984,0.0780866984,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:Fe-S-Tl,36.0,"Invalid WP multiplicities - A2B4C3_oP36_62_d_5c4d_3c4d:Fe-S-Tl, expected Tl11Fe2S13 to be Tl3(FeS2)2" +mp-1206916,Tl2FeS2,-4.45068806,-0.1570466126,0.4529103494,0.4529103494,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Fe-S-Tl,5.0,AB2C2_tI10_139_a_e_d:Fe-S-Tl +mp-1232975,LiTl4(NiO3)4,-5.4612758643,-0.9926898306,0.1712172933,0.1712172933,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl +mp-1235215,LiTl4(NiO3)4,-5.4334276662,-0.9648416325,0.1990654914,0.1990654914,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl +mp-1235257,LiTl4(NiO3)4,-5.4591952233,-0.9906091896,0.1732979342,0.1732979342,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Li-Ni-O-Tl +mp-1209146,Ti(HgO)3,-3.50437241,-0.1262868035,1.5572614368000002,1.5572614368000002,GGA,Cm,A3B3C_mC14_8_ab_ab_a:Hg-O-Ti,7.0,"Invalid WP multiplicities - A3B3C_mC14_8_ab_a2b_a:Hg-O-Ti, expected TiHg3O5 to be Ti(HgO)3" +mp-7607,TiHgO3,-6.860181421,-2.2523337179,0.1046338185,0.1046338185,GGA,R-3c,AB3C_hR30_167_a_e_b:Hg-O-Ti,10.0,AB3C_hR30_167_a_e_b:Hg-O-Ti +mp-1016842,TiHgO3,-6.728773948,-2.1209262449,0.2360412915,0.2360412915,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Ti,5.0,AB3C_cP5_221_a_c_b:Hg-O-Ti +mp-2226831,MgTi2(HgO3)2,-6.7836468364,-2.4492143745,0.1593568602,0.1593568602,GGA,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Hg-Mg-O-Ti,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Hg-Mg-O-Ti +mp-2240039,MgTi2(HgO3)2,-6.5735116836,-2.2390792217,0.369492013,0.369492013,GGA,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Hg-Mg-O-Ti,11.0,A2BC6D2_hR33_146_2a_a_2b_2a:Hg-Mg-O-Ti +mp-1223085,La3Si2ClO8,-8.4503548371,-3.6588759996,0.000937755,0.000937755,GGA,Cc,AB3C8D2_mC56_9_a_3a_8a_2a:Cl-La-O-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_9_a_4a_12a_3a:Cl-La-O-Si, expected La4Si3ClO12 to be La3Si2ClO8" +mp-558985,La3Si2ClO8,-8.4510395093,-3.6595606718,0.0002530829,0.0002530829,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Cl-La-O-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2ef_12f_f:Cl-La-O-Si, expected La4Si2ClO24 to be La3Si2ClO8" +mp-555191,La3Si2Cl3O7,-7.8532091263,-3.4644699041,0.0057447473,0.0057447473,GGA,P2_1,A3B3C7D2_mP30_4_3a_3a_7a_2a:Cl-La-O-Si,30.0,"Invalid WP multiplicities - A3B3C7D2_mP30_4_5a_5a_13a_4a:Cl-La-O-Si, expected La5Si4Cl5O13 to be La3Si2Cl3O7" +mp-1110917,K2AgMoBr6,-3.839248383,-1.3175309843,0.0624634265,0.0624634265,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Mo +mp-1112110,Cs2TlGaI6,-2.759826761,-1.1576525597,0.0776985055,0.0776985055,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-Tl,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-Tl +mp-1111320,Na2AgRhF6,-4.514777757,-2.0836989305,0.0734416365,0.0734416365,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Rh +mp-1112861,K2LiTaCl6,-4.604598341,-1.8967265059,0.1501103586,0.1501103586,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Ta +mp-754208,ErInO3,-7.379971363,-2.9480776282,0.079764493,0.079764493,GGA,Pnma,ABC3_oP20_62_c_a_cd:Er-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Er-In-O, expected ErInO7 to be ErInO3" +mp-772217,ErInO3,-7.4443653627,-3.0124716279,0.0153704933,0.0153704933,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Er-In-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_a3b11c:Er-In-O, expected Er5In3O40 to be ErInO3" +mp-567685,Er4InIr,-5.57800539,-0.6011731983,0.0,-0.0377268835,GGA,F-43m,A4BC_cF96_216_efg_e_e:Er-In-Ir,24.0,"Invalid WP multiplicities - A4BC_cF96_216_3e3f4g_e_e:Er-In-Ir, expected Er27(InIr)2 to be Er4InIr" +mp-1212967,Er16In4Ir4O,-5.8096177164,-0.833991264,0.0042332332,0.0042332332,GGA,F-43m,A16B4C4D_cF100_216_efg_e_e_a:Er-In-Ir-O,25.0,A16B4C4D_cF100_216_efg_e_e_a:Er-In-Ir-O +mp-1213979,Cd3Ga2(GeO4)3,-6.0820176776,-1.9793072064,0.0,-0.0100247437,GGA,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Cd-Ga-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Cd-Ga-Ge-O +mp-756190,Cd(GaO2)2,-5.7912393836,-1.9675484336,0.0688607186,0.0438080871,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Cd-Ga-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Cd-Ga-O, expected CdGa5O13 to be Cd(GaO2)2" +mp-531238,Cd(GaO2)2,-5.8369557498,-2.0132647998,0.0231443524,-0.001908279,GGA,P3m1,AB2C4_hP84_156_3a4b5c_3a2bc6d_4a4b4c12d:Cd-Ga-O,84.0,"Invalid WP multiplicities - AB2C4_hP84_156_3a4b5c_3a2bc11d_4a4b4c34d:Cd-Ga-O, expected Cd4Ga13O38 to be Cd(GaO2)2" +mp-531175,Cd(GaO2)2,-5.8253293464,-2.0016383964,0.0347707557,0.0097181243,GGA,R3m,AB2C4_hR168_160_8a_4a4b_8a8b:Cd-Ga-O,56.0,"Invalid WP multiplicities - AB2C4_hR168_160_8a_4a11b_8a19b:Cd-Ga-O, expected Cd8Ga37O65 to be Cd(GaO2)2" +mp-3443,Cd(GaO2)2,-5.8601001021,-2.0364091521,0.0,-0.0250526314,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Ga-O,14.0,AB2C4_cF56_227_a_d_e:Cd-Ga-O +mp-1213947,Cd3Ga5O12,-5.6077949826,-1.7443242862,0.1058011073,0.1058011073,GGA,Ia-3d,A3B5C12_cI160_230_c_ad_h:Cd-Ga-O,80.0,A3B5C12_cI160_230_c_ad_h:Cd-Ga-O +mp-1227167,CaNd2BeO5,-7.9555943631,-3.5095109001,0.0162500517,0.0162500517,GGA,Pna2_1,ABC2D5_oP36_33_a_a_2a_5a:Be-Ca-Nd-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_33_a_a_2a_10a:Be-Ca-Nd-O, expected CaNd2BeO10 to be CaNd2BeO5" +mp-1111189,Na2CoHgF6,-4.280149217,-2.1275569618,0.2757526655,0.2757526655,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Na +mp-557027,Rb2Be2Si2O7,-7.1994643381,-2.9750527293,0.0,-0.0192395383,GGA,Pnn2,A2B7C2D2_oP26_34_c_a3c_ab_c:Be-O-Rb-Si,26.0,"Invalid WP multiplicities - A2B7C2D2_oP26_34_c_2a11c_2a2b_c:Be-O-Rb-Si, expected Rb2BeSiO12 to be Rb2Be2Si2O7" +mp-1110750,Rb2LiCeI6,-3.508272532,-1.6439447053,0.0289003138,0.0289003138,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-I-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-I-Li-Rb +mp-1184803,Ir2Ru2O5,-6.8165026544,-0.0432674326,1.1393628031,1.1393628031,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ir-O-Ru,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ir-O-Ru, expected Ir2Ru2O9 to be Ir2Ru2O5" +mp-1218532,Sr6Ir2RuO12,-6.9785843405,-2.3857988093,0.0193385882,0.0193385882,GGA,C2/m,A2B12CD6_mC42_12_i_e3ij_a_3i:Ir-O-Ru-Sr,21.0,"Invalid WP multiplicities - A2B12CD6_mC42_12_i_2f5i2j_a_5i:Ir-O-Ru-Sr, expected Sr10Ir2RuO22 to be Sr6Ir2RuO12" +mp-1225939,CsScAgF6,-5.45334213,-3.0611975427,0.034021305,0.034021305,GGA,Imma,ABC6D_oI36_74_a_e_2ej_c:Ag-Cs-F-Sc,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Ag-Cs-F-Sc, expected CsScAgF12 to be CsScAgF6" +mp-1113115,Cs2ScAgF6,-5.447451709,-3.2049813433,0.0,-0.023629725,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Sc,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Sc +mp-1208678,SmGaGe2O7,-7.290851697,-2.5981645292,0.0,-0.0072009353,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Sm,44.0,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Sm +mp-1213021,Eu2MgPtO6,-8.3260891335,-2.5395342097,0.0173485182,0.0173485182,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Mg-O-Pt,20.0,A2BC6D_mP20_14_e_a_3e_b:Eu-Mg-O-Pt +mp-554061,MnSbS2Br,-5.438609099,-0.8152201798,0.0137698277,0.0137698277,GGA,C2/m,ABC2D_mC20_12_i_ac_2i_i:Br-Mn-S-Sb,10.0,"Invalid WP multiplicities - ABC2D_mC20_12_i_ad_4i_i:Br-Mn-S-Sb, expected MnSbS4Br to be MnSbS2Br" +mp-22329,NaNd2OsO6,-7.9256157855,-2.7489837999,0.0,-0.0187697664,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Na-Nd-O-Os,20.0,AB2C6D_mP20_14_a_e_3e_b:Na-Nd-O-Os +mp-1208737,Tb2Hf2(MoO4)7,-8.8353808391,-2.5889719944,0.0,-0.0083084145,GGA+U,C2/c,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Tb,78.0,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Tb +mp-1208565,TbHfO14,-5.2718042050000005,-0.031479387,1.3449478853,1.3449478853,GGA,Fd-3m,AB14C_cF128_227_b_cg_a:Hf-O-Tb,32.0,AB14C_cF128_227_b_cg_a:Hf-O-Tb +mp-1101350,TbHfO4,-9.3132238817,-3.5835055525,0.0869671738,0.0869671738,GGA,C2/c,AB4C_mC24_15_e_2f_e:Hf-O-Tb,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Hf-O-Tb, expected TbHfO10 to be TbHfO4" +mp-22663,Rb2LiFeF6,-5.34226179,-2.9613731873,0.0,-0.0085702237,GGA+U,R-3m,A6BCD2_hR60_166_2h_ab_c_2c:F-Fe-Li-Rb,20.0,A6BCD2_hR60_166_2h_ab_c_2c:F-Fe-Li-Rb +mp-1226570,Co(RhO3)2,-6.7492854822,-1.0251670597,0.1485839444,0.1485839444,GGA+U,C2/m,AB6C2_mC18_12_a_ij_g:Co-O-Rh,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_2i3j_g:Co-O-Rh, expected Co(RhO8)2 to be Co(RhO3)2" +mp-1983384,Ca3CoRhO6,-6.9295098982,-2.368641028,0.0191547934,0.0191547934,GGA+U,P1,A3BC6D_aP44_1_12a_4a_24a_4a:Ca-Co-O-Rh,44.0,A3BC6D_hR66_167_e_a_f_b:Ca-Co-O-Rh +mp-1666380,Ca3CoRhO6,-6.930432945,-2.3695640748,0.0182317466,0.0182317466,GGA+U,P-1,A3BC6D_aP22_2_3i_i_6i_be:Ca-Co-O-Rh,22.0,"Invalid WP multiplicities - A3BC6D_aP22_2_6i_i_12i_be:Ca-Co-O-Rh, expected Ca6CoRhO12 to be Ca3CoRhO6" +mp-1986469,Ca3CoRhO6,-6.9296297239,-2.3687608536,0.0190349677,0.0190349677,GGA+U,P2,A3BC6D_mP44_3_abcd4e_abcd_12e_2e:Ca-Co-O-Rh,44.0,A3BC6D_aP44_1_12a_4a_24a_4a:Ca-Co-O-Rh +mp-1652492,Ca3CoRhO6,-6.9285140159,-2.3676451457,0.0201506757,0.0201506757,GGA+U,P2/c,A3BC6D_mP44_13_ef2g_ef_6g_g:Ca-Co-O-Rh,44.0,"Invalid WP multiplicities - A3BC6D_mP44_13_2e2f7g_ef_24g_g:Ca-Co-O-Rh, expected Ca9CoRhO24 to be Ca3CoRhO6" +mp-551544,Ca3CoRhO6,-6.9302157734000005,-2.3693469032,0.0184489182,0.0184489182,GGA+U,C2/c,A3BC6D_mC44_15_ef_e_3f_c:Ca-Co-O-Rh,44.0,"Invalid WP multiplicities - A3BC6D_mC44_15_2e3f_e_12f_c:Ca-Co-O-Rh, expected Ca8CoRhO24 to be Ca3CoRhO6" +mp-551706,Ca3CoRhO6,-6.8918486055,-2.3309797352,0.0568160861,0.0568160861,GGA+U,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Co-O-Rh,22.0,A3BC6D_hR66_167_e_a_f_b:Ca-Co-O-Rh +mp-1378169,Ca2CoRhO6,-6.7376595285,-1.9212637593,0.1492768508,0.1492768508,GGA+U,C2,A2BC6D_mC40_5_abc_ab_6c_c:Ca-Co-O-Rh,20.0,"Invalid WP multiplicities - A2BC6D_mC40_5_ab2c_ab_12c_c:Ca-Co-O-Rh, expected Ca3CoRhO12 to be Ca2CoRhO6" +mp-546936,Co(RhO2)2,-7.1149141643,-1.1686729671,0.0,-0.0173662999999999,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Co-O-Rh,14.0,AB4C2_cF56_227_a_e_d:Co-O-Rh +mp-1378332,Ca3Co2(RhO6)2,-6.5835270537,-1.6191946587,0.2088075317,0.2088075317,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-Rh,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-Rh +mp-1227118,Ca6Co3RhO12,-6.9127372573,-2.3635042995,0.031848397,0.031848397,GGA+U,R-3,A6B3C12D_hR66_148_f_ac_2f_b:Ca-Co-O-Rh,22.0,"Invalid WP multiplicities - A6B3C12D_hR66_148_f_ac_4f_b:Ca-Co-O-Rh, expected Ca6Co3RhO24 to be Ca6Co3RhO12" +mp-1183715,CoRhO3,-6.311539472,-0.4490011123,0.7968873445,0.7968873445,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Co-O-Rh,5.0,AB3C_cP5_221_a_c_b:Co-O-Rh +mp-1191360,Ba3SmInS6,-5.5100975882,-2.0513799622,0.0,-0.0045768493,GGA,R-3c,A3BC6D_hR66_167_e_b_f_a:Ba-In-S-Sm,22.0,A3BC6D_hR66_167_e_b_f_a:Ba-In-S-Sm +mp-1105332,TbCrTeO6,-7.7769944089,-2.5424553277,0.0,-0.1257340078,GGA+U,P-31c,AB6CD_hP18_163_c_i_b_d:Cr-O-Tb-Te,18.0,AB6CD_hP18_163_c_i_b_d:Cr-O-Tb-Te +mp-1208333,TbCrTeO6,-7.5087184439,-2.2741793627,0.268275965,0.1425419572,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Tb-Te,18.0,AB6CD_hP18_163_b_i_c_d:Cr-O-Tb-Te +mp-1221684,MnCr4CoS8,-7.2288963843,-0.9450305341,0.0053064936,0.0053064936,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Mn-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Mn-S +mp-1194540,Rb2Sn3(SbS5)2,-4.5918799332,-0.8499808239000001,0.0,-0.0095934862,GGA,P2_1/c,A2B10C2D3_mP34_14_e_5e_e_ae:Rb-S-Sb-Sn,34.0,A2B10C2D3_mP34_14_e_5e_e_ae:Rb-S-Sb-Sn +mp-1218022,TaCrCo,-9.7153711992,-0.1756569008,0.0025997344,0.0025997344,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Cr-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Cr-Ta, expected Ta3(CrCo)2 to be TaCrCo" +mp-1218084,Ta6Cr3Co3C2,-10.3253599418,-0.3333533304,0.0152033531,0.0152033531,GGA,Imm2,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Co-Cr-Ta,28.0,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Co-Cr-Ta +mp-6084,La3Co29(Si2B5)2,-7.115561299,-0.3885085338,0.0,-0.0047523422,GGA,P4/nmm,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-La-Si,92.0,A10B29C3D4_tP92_129_2cij_c3i2jk_ae_i:B-Co-La-Si +mp-1192219,Gd3AlZnS7,-8.2664087546,-1.9173391522,0.0391760741,0.0391760741,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-Gd-S-Zn,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-Gd-S-Zn +mp-1247224,MgMnGaS4,-5.3836421814,-1.049900634,0.0956101957,0.0956101957,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Ga-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Ga-Mg-Mn-S, expected MgMnGaS12 to be MgMnGaS4" +mp-1028102,Mg14MnGa,-2.1313859256,0.0307410753,0.0780826977,0.0780826977,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Mn, expected Mg18MnGa to be Mg14MnGa" +mp-1028063,Mg14MnGa,-2.1307813656,0.0313456353,0.0786872577,0.0786872577,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Mn, expected Mg26MnGa to be Mg14MnGa" +mp-1246535,Mg2MnGa3S8,-4.9524142529,-1.0568097961,0.1092891124,0.1092891124,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Ga-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Ga-Mg-Mn-S, expected Mg2MnGa3S22 to be Mg2MnGa3S8" +mp-1246443,Mg2Mn3GaS8,-5.8144571943,-1.0425785562,0.0750533089,0.0750533089,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Ga-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Ga-Mg-Mn-S, expected Mg2Mn3GaS16 to be Mg2Mn3GaS8" +mp-1210648,Mg2MnGa3,-3.7385670567,-0.1640898134,0.0,-0.0155668956,GGA,Cmcm,A3B2C_oC24_63_ag_f_c:Ga-Mg-Mn,12.0,A3B2C_oC24_63_ag_f_c:Ga-Mg-Mn +mp-1022869,Mg6MnGa,-2.6641026863,0.0598712656,0.1278739083,0.1278739083,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Mn, expected Mg12MnGa to be Mg6MnGa" +mp-1022874,Mg6MnGa,-2.6659480669,0.0580258849,0.1260285277,0.1260285277,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Mn, expected Mg12MnGa to be Mg6MnGa" +mp-861905,LiBiPd2,-4.481803985,-0.4545100808,0.0,-0.0628543738,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-Li-Pd,4.0,ABC2_cF16_225_a_b_c:Bi-Li-Pd +mp-560555,Li8Bi2PdO10,-5.5442385124,-1.8490418402,0.0,-0.0062971542,GGA,C2/m,A2B8C10D_mC42_12_i_4i_5i_a:Bi-Li-O-Pd,21.0,"Invalid WP multiplicities - A2B8C10D_mC42_12_i_6i_7i_a:Bi-Li-O-Pd, expected Li12Bi2PdO14 to be Li8Bi2PdO10" +mp-25257,Li15Bi4(PdO10)2,-5.5433009998,-1.8045366738,0.0254843142,0.0254843142,GGA,P1,A4B15C20D2_aP41_1_4a_15a_20a_2a:Bi-Li-O-Pd,41.0,A4B15C20D2_aP41_1_4a_15a_20a_2a:Bi-Li-O-Pd +mp-559893,LiBi(PdO2)2,-5.87756275,-1.3905714423,0.0,-0.056820863,GGA,P4/nmm,ABC4D2_tP16_129_c_a_i_e:Bi-Li-O-Pd,16.0,ABC4D2_tP16_129_c_a_i_e:Bi-Li-O-Pd +mp-1096232,LiBi2Pd,-2.5372442775,1.1552014567,1.5297954413,1.5297954413,GGA,Immm,A2BC_oI8_71_e_a_b:Bi-Li-Pd,4.0,A2BC_oI8_71_e_a_b:Bi-Li-Pd +mp-7608,Li2PdO2,-5.411062696,-1.6328417028,0.0,-0.035004168,GGA,Immm,A2B2C_oI10_71_e_f_a:Li-O-Pd,5.0,A2B2C_oI10_71_e_f_a:Li-O-Pd +mp-532526,Li2PdO3,-5.5627181389,-1.589752526,0.0422990261,-0.1770392893,GGA,P1,A2B3C_aP72_1_24a_36a_12a:Li-O-Pd,72.0,A2B3C_aP72_1_24a_36a_12a:Li-O-Pd +mp-760483,Li2PdO3,-5.605017165,-1.6320515522,0.0,-0.2193383154,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Li-O-Pd,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2ij_h:Li-O-Pd, expected Li2PdO4 to be Li2PdO3" +mp-1211133,LiPd5O6,-5.5072711933,-0.7165658447000001,0.2842939573,0.2842939573,GGA,C2/m,AB6C5_mC24_12_a_ij_dgh:Li-O-Pd,12.0,AB6C5_mC24_12_a_ij_cgh:Li-O-Pd +mp-560305,MgGaMo4O7,-7.9650963315,-1.6083426784,0.3600139678,0.3600139678,GGA+U,Imma,ABC4D7_oI52_74_e_a_hi_c2hi:Ga-Mg-Mo-O,26.0,"Invalid WP multiplicities - ABC4D7_oI52_74_e_a_3h3i_2c4h2i:Ga-Mg-Mo-O, expected MgGa(Mo6O7)2 to be MgGaMo4O7" +mp-1193331,CsHoSiS4,-5.6413145957,-1.7200390615,0.0,-0.0601887876,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Ho-S-Si,28.0,ABC4D_oP28_19_a_a_4a_a:Cs-Ho-S-Si +mp-1215882,Yb2FeSbO7,-6.9632219064,-2.3900346347,0.0,-0.016901993,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Fe-O-Sb-Yb,,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Fe-O-Sb-Yb, expected Yb2FeSbO13 to be Yb2FeSbO7" +mp-1207658,Yb(FeSb3)4,-5.2961628312,-0.2980623606,0.0,-0.02932271,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-Sb-Yb,,A4B12C_cI34_204_c_g_a:Fe-Sb-Yb +mp-1217130,Ti2CuNi,-6.626304395,-0.2087225492,0.05710766,0.05710766,GGA,Pmm2,ABC2_oP4_25_a_b_cd:Cu-Ni-Ti,4.0,ABC2_oP4_25_a_b_cd:Cu-Ni-Ti +mp-1217071,Ti2CuNi,-6.61285698,-0.1952751342,0.070555075,0.070555075,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Cu-Ni-Ti,4.0,ABC2_tP4_123_a_b_h:Cu-Ni-Ti +mp-1217153,Ti3Cu2NiS8,-6.2640803043,-1.2100356611,0.0179244262,0.0179244262,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Ni-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Cu-Ni-S-Ti, expected Ti3Cu2NiS16 to be Ti3Cu2NiS8" +mp-1217065,Ti8Cu3Ni,-6.93090583,-0.1607647614,0.0,-0.0031848206,GGA,P4/mmm,A3BC8_tP12_123_ah_b_2g2h:Cu-Ni-Ti,12.0,"Invalid WP multiplicities - A3BC8_tP12_123_a2h_b_3g4h:Cu-Ni-Ti, expected Ti14Cu5Ni to be Ti8Cu3Ni" +mp-1079193,TiCuNi2,-6.2250377675,-0.3362947558,0.0211182034,0.0211182034,GGA,Pmmn,AB2C_oP8_59_a_e_b:Cu-Ni-Ti,8.0,AB2C_oP8_59_a_e_b:Cu-Ni-Ti +mp-1216894,TiCuNi2,-6.16396027,-0.2752172583,0.0821957009,0.0821957009,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Cu-Ni-Ti,4.0,AB2C_tP4_123_a_h_b:Cu-Ni-Ti +mp-1207070,TiCuNi2,-6.2356976975,-0.3469546858,0.0104582734,0.0104582734,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Cu-Ni-Ti,4.0,AB2C_tI8_139_a_d_b:Cu-Ni-Ti +mp-1216850,TiCuNi,-6.23431949,-0.3093743678,0.0,-0.0277276021,GGA,I4mm,ABC_tI6_107_a_a_a:Cu-Ni-Ti,3.0,ABC_tI6_107_a_a_a:Cu-Ni-Ti +mp-555186,Li2ZnSnS4,-4.3542581144,-1.1501380311,0.0,-0.0342514726,GGA,Pc,A2B4CD_mP16_7_2a_4a_a_a:Li-S-Sn-Zn,16.0,"Invalid WP multiplicities - A2B4CD_mP16_7_4a_7a_a_a:Li-S-Sn-Zn, expected Li4ZnSnS7 to be Li2ZnSnS4" +mp-1033923,Mg6AlNiO8,-6.3774533113,-2.708646905,0.208201312,0.208201312,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Al-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Al-Mg-Ni-O, expected Mg6AlNiO12 to be Mg6AlNiO8" +mp-1033094,Mg6AlNiO8,-6.4314066119,-2.7626002056,0.1542480114,0.1542480114,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Al-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Al-Mg-Ni-O, expected Mg6AlNiO12 to be Mg6AlNiO8" +mp-1036618,Mg14AlNiO16,-6.3870838294,-2.9159384359,0.0695058223,0.0695058223,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Al-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Al-Mg-Ni-O, expected Mg18AlNiO20 to be Mg14AlNiO16" +mp-1036615,Mg14AlNiO16,-6.3604470675,-2.8893016741,0.0961425841,0.0961425841,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Al-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Al-Mg-Ni-O, expected Mg30AlNiO32 to be Mg14AlNiO16" +mp-1038358,Mg30AlNiO32,-6.3518753766,-2.9795604895,0.0401817893,0.0401817893,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Al-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Al-Mg-Ni-O, expected Mg110AlNiO72 to be Mg30AlNiO32" +mp-1038314,Mg30AlNiO32,-6.3589402652,-2.9866253781000003,0.0331169007,0.0331169007,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Al-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Al-Mg-Ni-O, expected Mg90AlNiO80 to be Mg30AlNiO32" +mp-1110583,Rb2RuAuF6,-4.656829003,-2.059006354,0.212933653,0.212933653,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Ru +mp-1017342,CsNaMg6,-1.1965709194,0.2808800763,0.2988306957,0.2988306957,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Na, expected CsNaMg12 to be CsNaMg6" +mp-1099338,CsNaMg6,-1.1710877488,0.3063632469,0.3243138664,0.3243138664,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Na,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-Na +mp-1026695,CsNaMg14,-1.3688078119,0.170057711,0.1910001003,0.1910001003,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Na, expected CsNaMg18 to be CsNaMg14" +mp-1026676,CsNaMg14,-1.3372989112,0.2015666116,0.2225090009,0.2225090009,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Na, expected CsNaMg26 to be CsNaMg14" +mp-989568,Cs2NaMgF6,-4.586207611,-2.9679592217,0.0,-0.0206400531,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mg-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Mg-Na +mp-1111802,Rb2GaAgI6,-2.689693397,-1.0235015699,0.0958137425,0.0958137425,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-Rb +mp-1110600,Rb2ScAgF6,-5.456724321,-3.1972276152,0.0,-0.003188492,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Sc +mp-1112117,Cs2RbScI6,-3.461180559,-1.6667799568,0.0,-0.0136703055,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Sc +mp-865367,Tm2NiRu,-6.4828396275,-0.4812871108,0.0,-0.0342693006,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Ni-Ru-Tm +mp-1208122,Tm2NiRuO6,-8.0448863745,-2.6762521411,0.0517965277,0.0517965277,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ni-O-Ru-Tm,20.0,AB6CD2_mP20_14_a_3e_b_e:Ni-O-Ru-Tm +mp-1216230,Y(Fe5Mo)2,-8.6866046669,-0.0052213259,0.0160541938,0.0160541938,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Y,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Y +mp-1216416,Y3(Fe8Mo)4,-8.5711376674,-0.0115814495,0.0091485949,0.0091485949,GGA,Cm,A32B4C3_mC78_8_20a6b_4a_3a:Fe-Mo-Y,39.0,"Invalid WP multiplicities - A32B4C3_mC78_8_20a12b_4a_3a:Fe-Mo-Y, expected Y3(Fe11Mo)4 to be Y3(Fe8Mo)4" +mp-1216218,Y(Co5Mo)2,-7.6628165285,-0.0288973528,0.0529662673,0.0529662673,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Co-Mo-Y,13.0,A10B2C_oI26_71_efhk_g_a:Co-Mo-Y +mp-1216008,YFe11Mo,-8.5098414108,-0.0111987544,0.0092585523,0.0092585523,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Y,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Y +mp-1216162,YFe5Co5Mo2,-8.1985516915,-0.0409004332,0.0378584508,0.0378584508,GGA,P-1,A5B5C2D_aP13_2_c2i_befi_i_a:Co-Fe-Mo-Y,13.0,A5B5C2D_aP13_2_c2i_befi_i_a:Co-Fe-Mo-Y +mp-1210069,NaDy(Pd3O4)2,-6.2324000481,-1.4460180054,0.0,-0.032681967,GGA,Pm-3,ABC8D6_cP16_200_a_b_i_f:Dy-Na-O-Pd,16.0,ABC8D6_cP16_200_a_b_i_f:Dy-Na-O-Pd +mp-9195,BaCuSeF,-5.0951899088,-2.238796895,0.0,-0.0057465109,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-Se,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-Se +mp-1214731,Ba2CuSe2F,-3.8045478267,-0.9978047479,1.2559804425,1.2559804425,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ba-Cu-F-Se,6.0,A2BCD2_tP6_123_g_a_b_g:Ba-Cu-F-Se +mp-20778,Dy2Be2GeO7,-7.950958275,-3.2891042547,0.0,-0.0067106269,GGA,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Be-Dy-Ge-O,24.0,"Invalid WP multiplicities - A2B2CD7_tP24_113_e_e_a_ce2f:Be-Dy-Ge-O, expected Dy2Be2GeO11 to be Dy2Be2GeO7" +mp-558759,Cd4Te6Cl6O13,-4.8753685143,-1.4977972175,0.0074466933,0.0074466933,GGA,P-1,A4B6C13D6_aP58_2_4i_6i_13i_6i:Cd-Cl-O-Te,58.0,"Invalid WP multiplicities - A4B6C13D6_aP58_2_7i_12i_25i_12i:Cd-Cl-O-Te, expected Cd7Te12Cl12O25 to be Cd4Te6Cl6O13" +mp-683967,Cd7Te7Cl8O17,-4.7822545192,-1.5169885976000002,0.0,-0.0081094276,GGA,Pca2_1,A7B8C17D7_oP156_29_7a_8a_17a_7a:Cd-Cl-O-Te,156.0,"Invalid WP multiplicities - A7B8C17D7_oP156_29_24a_28a_66a_23a:Cd-Cl-O-Te, expected Cd24Te23(Cl14O33)2 to be Cd7Te7Cl8O17" +mp-950214,Cd2TeCl2O3,-4.4529652739,-1.5121871655,0.0049620044,0.0049620044,GGA,Pccn,A2B2C3D_oP64_56_2e_2e_3e_e:Cd-Cl-O-Te,64.0,"Invalid WP multiplicities - A2B2C3D_oP64_56_10e_10e_16e_e:Cd-Cl-O-Te, expected Cd10Te(Cl5O8)2 to be Cd2TeCl2O3" +mp-1223750,K9In9GeSb22,-3.5238462659,-0.3477536018,0.008350728,0.008350728,GGA,P1,AB9C9D22_aP41_1_a_9a_9a_22a:Ge-In-K-Sb,41.0,AB9C9D22_aP41_1_a_9a_9a_22a:Ge-In-K-Sb +mp-1189370,Ce2Zn2Sn2H3,-4.0662407439,-0.4459088133,0.0585228209,0.0585228209,GGA,P6_3mc,A2B3C2D2_hP18_186_2a_3b_2b_2b:Ce-H-Sn-Zn,18.0,A2B3C2D2_hP18_186_2a_3b_2b_2b:Ce-H-Sn-Zn +mp-1106202,Ce2Zn5Sn,-3.2399847156,-0.4681761887,0.0,-0.0796098709,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:Ce-Sn-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:Ce-Sn-Zn +mp-20886,CeZnSn,-4.2940156767,-0.5598808033,0.0,-0.0339714078,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Ce-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:Ce-Sn-Zn +mp-1110855,K2LiMoCl6,-4.457310089,-1.8506510059,0.037877212,0.037877212,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Mo +mp-1197371,BaNd2In2O7,-7.1907955767,-2.8920073897,0.0094555096,0.0094555096,GGA,P4_2/mnm,AB2C2D7_tP48_136_f_j_j_2eghj:Ba-In-Nd-O,48.0,AB2C2D7_tP48_136_f_j_j_2eghj:Ba-In-Nd-O +mp-1192583,BaNdInO4,-7.0798698907,-2.9047897554,0.0048118266,0.0048118266,GGA,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Ba-In-Nd-O,28.0,ABCD4_mP28_14_e_e_e_4e:Ba-In-Nd-O +mp-755138,NdInO3,-7.3473251585,-2.8753456992,0.0147230442,0.0147230442,GGA,Pnma,ABC3_oP20_62_a_c_cd:In-Nd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:In-Nd-O, expected NdInO7 to be NdInO3" +mp-1186316,NdInO3,-6.93720197,-2.4652225107,0.4248462328,0.4248462328,GGA,Pm-3m,ABC3_cP5_221_b_a_c:In-Nd-O,5.0,ABC3_cP5_221_b_a_c:In-Nd-O +mp-1113747,Rb2LiAlF6,-5.333389519,-3.4249454543,0.0006329308,0.0006329308,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Li-Rb +mp-1113748,Rb2LiAsF6,-4.811056326,-2.8112580038,0.0,-0.0122687842,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Li-Rb +mp-3909,ZrAlCo2,-7.1484381675,-0.520960155,0.0,-0.0693795,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Zr,4.0,AB2C_cF16_225_a_c_b:Al-Co-Zr +mp-1215811,Zr3AlCo8,-7.5089456967,-0.32101069,0.0221837629,0.0221837629,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Al-Co-Zr,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Al-Co-Zr, expected Zr3AlCo20 to be Zr3AlCo8" +mp-1215510,Zr2Al3Co,-6.43218128,-0.5254401892,0.0088859994,0.0088859994,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Co-Zr,6.0,A3BC2_hR18_166_d_a_c:Al-Co-Zr +mp-24670,Zr6Al2CoH10,-5.7814101705,-0.5280978713,0.1178423946,0.1178423946,GGA,P-62c,A2BC10D6_hP38_190_f_b_ag2h_gh:Al-Co-H-Zr,38.0,A2BC10D6_hP38_190_f_b_ag2h_gh:Al-Co-H-Zr +mp-1215333,ZrAlCo4,-7.1177901717,-0.3300322317,0.0438137406,0.0438137406,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Co-Zr,6.0,AB4C_cF24_216_a_e_c:Al-Co-Zr +mp-1194423,Zr6Al16Co7,-6.1264432462,-0.5756280178000001,0.0,-0.0107464291,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Al-Co-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Al-Co-Zr +mp-12760,Zr6Al2Co,-7.6635220411,-0.3428916817,0.0,-0.006446292,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Al-Co-Zr,9.0,A2BC6_hP9_189_c_b_fg:Al-Co-Zr +mp-1215357,ZrAlCo,-6.9486941167000005,-0.4814960317,0.0290187099,0.0290187099,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Zr, expected Zr3(AlCo)2 to be ZrAlCo" +mp-1111096,NaLi2TiF6,-5.496170609,-3.0456969242,0.2934321586,0.2934321586,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ti,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Ti +mp-1210400,Na3LiTi2F12,-5.9873245047,-3.5092561497,0.0,-0.0020471863,GGA,P-42_1c,A12BC3D2_tP36_114_3e_a_bd_d:F-Li-Na-Ti,36.0,A12BC3D2_tP36_114_3e_a_bd_d:F-Li-Na-Ti +mp-14457,Na3Li3Ti2F12,-5.7457991679,-3.3246453617,0.0,-0.0048539991,GGA,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Ti,80.0,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Ti +mp-1113901,Na2LiTiF6,-5.628959297,-3.2371253695,0.0671365909,0.0671365909,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ti +mp-22998,CrSBr,-6.2563914567,-1.1422162344,0.0,-0.0209826578,GGA,Pmmn,ABC_oP6_59_a_b_a:Br-Cr-S,6.0,ABC_oP6_59_a_b_a:Br-Cr-S +mp-1226363,Cr2S2BrCl,-6.3699115,-1.2064848894,0.0,-0.0050162194,GGA,Pmm2,ABC2D2_oP6_25_a_d_bc_ad:Br-Cl-Cr-S,6.0,ABC2D2_oP6_25_a_d_bc_ad:Br-Cl-Cr-S +mp-754971,Cs3TmO3,-5.3720654179,-2.228907036,0.0090418229,-0.0025498584,GGA,C2/m,A3B3C_mC28_12_ghi_ij_i:Cs-O-Tm,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_gh2i_2ij_i:Cs-O-Tm, expected Cs4TmO4 to be Cs3TmO3" +mp-756459,Cs3TmO3,-5.3811072407000005,-2.2379488588,0.0,-0.0115916813,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Cs-O-Tm,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:Cs-O-Tm, expected Cs9TmO9 to be Cs3TmO3" +mp-1213346,CsTm(MoO4)2,-8.1058664667,-2.5528624912,0.0,-0.0234536141,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Tm,24.0,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Tm +mp-1213049,CsTm(MoO4)2,-8.0527464042,-2.4997424287,0.0531200625,0.0296664484,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Tm,24.0,AB2C8D_mC48_15_e_f_4f_e:Cs-Mo-O-Tm +mp-1213172,CsTm(MoO4)2,-8.1040456,-2.5510416245,0.0018208667,-0.0216327474,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Tm,24.0,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Tm +mp-753799,CsTmO2,-6.8186906725,-3.002536868,0.0085594256,0.0085594256,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-O-Tm,8.0,AB2C_hP8_194_c_f_a:Cs-O-Tm +mp-1210978,LuTl(MoO4)2,-8.0717316594,-2.392698028,0.0071552158,0.0071552158,GGA+U,Pnma,AB2C8D_oP48_62_c_2c_4c2d_c:Lu-Mo-O-Tl,48.0,AB2C8D_oP48_62_c_2c_4c2d_c:Lu-Mo-O-Tl +mp-754597,LuTlO3,-6.8757575645,-2.5310256044,0.0837613916,0.0837613916,GGA,Pnma,AB3C_oP20_62_a_cd_c:Lu-O-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Lu-O-Tl, expected LuTlO7 to be LuTlO3" +mp-754992,LuTlO2,-6.9770690625,-2.7828262902,0.1028507202,0.1028507202,GGA,R-3m,AB2C_hR12_166_a_c_b:Lu-O-Tl,4.0,AB2C_hR12_166_a_c_b:Lu-O-Tl +mp-11585,La2MgGeO6,-7.836842561,-3.2592971228,0.0162600962,0.0162600962,GGA,R-3,AB2CD6_hR30_148_a_c_b_f:Ge-La-Mg-O,10.0,AB2CD6_hR30_148_a_c_b_f:Ge-La-Mg-O +mp-1228486,Ba2NdGaS5,-5.5560981217,-1.9653822695,0.0543973131,0.0543973131,GGA,Fmmm,A2BCD5_oF72_69_fg_h_i_dmo:Ba-Ga-Nd-S,18.0,"Invalid WP multiplicities - A2BCD5_oF72_69_fg_h_i_d2m2o:Ba-Ga-Nd-S, expected Ba2NdGaS9 to be Ba2NdGaS5" +mp-30030,Zn6Ni7Ge2,-4.0526681697,-0.2349698943,0.0256554883,0.0256554883,GGA,Fd-3m,A2B7C6_cF120_227_d_af_ce:Ge-Ni-Zn,30.0,A2B7C6_cF120_227_d_af_ce:Ge-Ni-Zn +mp-16358,ZnNi2Ge,-4.5976429725,-0.2368817662,0.0430900381,0.0430900381,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ge-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Ge-Ni-Zn +mp-1215585,Zn4Ni5Ge,-4.081189167,-0.2249205975,0.0400504453,0.0400504453,GGA,P4/mmm,AB5C4_tP10_123_a_d2h_2g:Ge-Ni-Zn,10.0,"Invalid WP multiplicities - AB5C4_tP10_123_a_d4h_3g:Ge-Ni-Zn, expected Zn6Ni9Ge to be Zn4Ni5Ge" +mp-1043305,ZnNi(GeO3)2,-6.4703045485,-1.8736977218,0.0212298507,0.0212298507,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Ni-O-Zn,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Ni-O-Zn +mp-1043166,ZnNi(GeO3)2,-6.4717641555,-1.8751573288,0.0197702437,0.0197702437,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Ni-O-Zn,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Ni-O-Zn +mp-1215729,ZnNi9Ge2,-5.4118430908,-0.2012573042,0.0345891025,0.0345891025,GGA,I4/mmm,A2B9C_tI24_139_e_adeg_b:Ge-Ni-Zn,12.0,"Invalid WP multiplicities - A2B9C_tI24_139_e_a2de3g_b:Ge-Ni-Zn, expected ZnNi19Ge2 to be ZnNi9Ge2" +mp-16227,Zn3Ni2Ge,-3.5584514346,-0.2313627604,0.0018794742,0.0018794742,GGA,Fd-3m,AB2C3_cF96_227_c_e_f:Ge-Ni-Zn,24.0,AB2C3_cF96_227_c_e_f:Ge-Ni-Zn +mp-1200997,ZnNi13Ge8,-5.453883728,-0.2999863058,0.0048418854,0.0048418854,GGA,P3_121,A8B13C_hP66_152_4c_a2b5c_a:Ge-Ni-Zn,66.0,A8B13C_hP66_152_4c_a2b5c_a:Ge-Ni-Zn +mp-1325795,Zn3Ni2(GeO4)3,-6.0487274885,-1.620284874,0.1518637644,0.1518637644,GGA+U,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ge-Ni-O-Zn,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ge-Ni-O-Zn +mp-530613,Li4Mg23B54,-5.1102730794,-0.1086769283,0.0401498639,0.0401498639,GGA,P6/mmm,A54B4C23_hP81_191_c13h_2e_b11e:B-Li-Mg,81.0,"Invalid WP multiplicities - A54B4C23_hP81_191_2c49h_4e_b22e:B-Li-Mg, expected Li8(Mg9B40)5 to be Li4Mg23B54" +mp-1211708,Li2Mg10B12Rh19,-6.098545749,-0.5195876789,0.0,-0.0053324604,GGA,Pbam,A12B2C10D19_oP86_55_6g_g_5g_b9h:B-Li-Mg-Rh,86.0,A12B2C10D19_oP86_55_6g_g_5g_b9h:B-Li-Mg-Rh +mp-568621,Mg8BRh4,-4.2001105904,-0.4355826172,0.0,-0.0342388669,GGA,Fd-3m,AB8C4_cF104_227_a_cf_e:B-Mg-Rh,26.0,"Invalid WP multiplicities - AB8C4_cF104_227_a_3c4f_e:B-Mg-Rh, expected Mg30BRh4 to be Mg8BRh4" +mp-1026806,LiMg14B,-1.7878052212000002,0.1492094873,0.1973120648,0.1973120648,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Li-Mg, expected LiMg18B to be LiMg14B" +mp-1026801,LiMg14B,-1.7690570425,0.1679576661,0.2160602436,0.2160602436,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Li-Mg, expected LiMg26B to be LiMg14B" +mp-1021285,LiMg6B,-1.94831972,0.3254296472,0.3948839538,0.3948839538,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Li-Mg, expected LiMg12B to be LiMg6B" +mp-1021306,LiMg6B,-1.9624927212,0.3112566459,0.3807109526,0.3807109526,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Li-Mg, expected LiMg12B to be LiMg6B" +mp-864601,LiMg2Rh,-3.498033875,-0.3795861658,0.0,-0.0631129833,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Rh,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Rh +mp-605839,Li2B2Rh3,-6.0989440071,-0.4890078807,0.0,-0.2190268662,GGA,Pbam,A2B2C3_oP14_55_g_g_bh:B-Li-Rh,14.0,"Invalid WP multiplicities - A2B2C3_oP14_55_g_g_2b2h:B-Li-Rh, expected LiBRh3 to be Li2B2Rh3" +mp-1210641,Mg3B2Rh5,-6.0612270705,-0.5631107663,0.0,-0.1330041725,GGA,P4/mbm,A2B3C5_tP20_127_g_ag_cj:B-Mg-Rh,20.0,A2B3C5_tP20_127_g_ag_cj:B-Mg-Rh +mp-35040,LiMg9B20,-5.1156724533,-0.1190298289,0.0237937271,0.0237937271,GGA,P-1,A20BC9_aP30_2_10i_a_d4i:B-Li-Mg,30.0,"Invalid WP multiplicities - A20BC9_aP30_2_19i_a_d7i:B-Li-Mg, expected LiMg15B38 to be LiMg9B20" +mp-20342,Yb2Sn2O7,-6.6050365173,-2.4482018583,0.0219233947,0.0219233947,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Sn-Yb,,A7B2C2_cF88_227_af_d_c:O-Sn-Yb +mp-1215646,YbSn2BiO7,-6.6050062905,-2.2390006451,0.0,-0.0042641645,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Bi-O-Sn-Yb,,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Bi-O-Sn-Yb, expected YbSn2BiO13 to be YbSn2BiO7" +mp-1187515,YbSnO3,-6.669144178,-2.5912949242,0.125842854,0.125842854,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sn-Yb,,A3BC_cP5_221_c_b_a:O-Sn-Yb +mp-11651,Yb3SnO,-4.63354467,-1.9185275888,0.0,-0.078848284,GGA,Pm-3m,ABC3_cP5_221_b_a_c:O-Sn-Yb,,ABC3_cP5_221_b_a_c:O-Sn-Yb +mp-1200153,Yb11(SnBi4)2,-3.4733291581,-0.8219602138000001,0.0,-0.0326944253,GGA,I4/mmm,A8B2C11_tI84_139_deim_h_eh2n:Bi-Sn-Yb,,A8B2C11_tI84_139_deim_h_eh2n:Bi-Sn-Yb +mp-1191406,Gd3CuSiS7,-8.5598671829,-1.8341971422,0.0,-0.0392519128,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Gd-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Cu-Gd-S-Si +mp-1027989,Mg14TiFe,-2.2868424975,0.1362471229,0.2019094134,0.2019094134,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Ti, expected Mg18TiFe to be Mg14TiFe" +mp-1027878,Mg14TiFe,-2.2966226331,0.1264669873,0.1921292777,0.1921292777,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Ti, expected Mg26TiFe to be Mg14TiFe" +mp-1246685,Mg2TiFe3S8,-6.0052305736,-1.0339652392,0.1889498712,0.1889498712,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Fe-Mg-S-Ti, expected Mg2TiFe3S22 to be Mg2TiFe3S8" +mp-1022329,Mg6TiFe,-3.0810569475,0.1648422433,0.2812427997,0.2812427997,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Ti, expected Mg12TiFe to be Mg6TiFe" +mp-1022457,Mg6TiFe,-3.0213579869,0.224541204,0.3409417603,0.3409417603,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Ti, expected Mg12TiFe to be Mg6TiFe" +mp-1247115,Mg2Ti3FeS8,-6.2962021186,-1.4070123832,0.1420186375,0.1420186375,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Fe-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Fe-Mg-S-Ti, expected Mg2Ti3FeS16 to be Mg2Ti3FeS8" +mp-1247090,MgTiFeS4,-6.1347177529,-1.204490218,0.1820167066,0.1820167066,GGA,C2/m,ABC4D_mC28_12_ac_i_2ij_e:Fe-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_ad_i_4i3j_e:Fe-Mg-S-Ti, expected MgTiFeS10 to be MgTiFeS4" +mp-686174,Ti24Ga5S48,-6.7905666705000005,-1.5544383312,0.0079406536,0.0079406536,GGA,Pmn2_1,A5B48C24_oP154_31_5a_24a12b_12a6b:Ga-S-Ti,154.0,"Invalid WP multiplicities - A5B48C24_oP154_31_8a_48a46b_24a22b:Ga-S-Ti, expected Ti17Ga2S35 to be Ti24Ga5S48" +mp-1104320,Ti4GaS8,-6.7547598215,-1.5469395889,0.0045242479,0.0045242479,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ga-S-Ti,13.0,AB8C4_cF52_216_a_2e_e:Ga-S-Ti +mp-1247254,MgTiGaS4,-5.4898209579,-1.3370113069,0.1070372821,0.1070372821,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Ga-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Ga-Mg-S-Ti, expected MgTiGaS12 to be MgTiGaS4" +mp-1247033,Mg2Ti3GaS8,-5.986434765,-1.4859539716,0.0867754183,0.0867754183,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Ga-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Ga-Mg-S-Ti, expected Mg2Ti3GaS16 to be Mg2Ti3GaS8" +mp-1222238,Mg2TiGa3S8,-5.049899045,-1.2447605365,0.0706072517,0.0706072517,GGA,P3m1,A3B2C8D_hP14_156_a2b_2c_4a4b_a:Ga-Mg-S-Ti,14.0,A3B2C8D_hP14_156_a2b_2c_4a4b_a:Ga-Mg-S-Ti +mp-1247152,Mg2TiGa3S8,-4.99638584,-1.1912473315,0.1241204567,0.1241204567,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Ga-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Ga-Mg-S-Ti, expected Mg2TiGa3S22 to be Mg2TiGa3S8" +mp-1205505,ErSiRu2C,-8.151492075,-0.5973905925,0.0,-0.043415114,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Er-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Er-Ru-Si +mp-8808,Er2Si5Ru3,-7.2210318105,-0.8125082715,0.0,-0.0502069401,GGA,Ibam,A2B3C5_oI40_72_j_aj_bfj:Er-Ru-Si,20.0,"Invalid WP multiplicities - A2B3C5_oI40_72_j_2a2j_bfj:Er-Ru-Si, expected Er2Si5Ru6 to be Er2Si5Ru3" +mp-22247,ErSiRu,-7.276502065,-0.8540222717,0.0,-0.0749587948,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Ru-Si,12.0,ABC_oP12_62_c_c_c:Er-Ru-Si +mp-5354,Er3(Si3Ru)4,-6.6969402145,-0.5966990066,0.0011663831,0.0011663831,GGA,Cmce,A3B4C12_oC76_64_ae_df_df2g:Er-Ru-Si,38.0,"Invalid WP multiplicities - A3B4C12_oC76_64_ae_df_df3g:Er-Ru-Si, expected Er3(Si4Ru)4 to be Er3(Si3Ru)4" +mp-5022,Er(SiRu)2,-7.676198848,-0.8827668580000001,0.0,-0.1249118665,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Ru-Si +mp-1112144,Cs2NaPrI6,-3.391014859,-1.7175714697000002,0.0,-0.0237359675,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Pr +mp-1105612,CsScUSe5,-6.0736937456,-1.5738388862,0.0,-0.062898652,GGA,Cmcm,ABC5D_oC32_63_c_a_c2f_c:Cs-Sc-Se-U,16.0,ABC5D_oC32_63_c_a_c2f_c:Cs-Sc-Se-U +mp-1218377,SrCa3(BrN)2,-5.0504181363,-1.6147506858,0.0120877787,0.0120877787,GGA,Pm,A2B3C2D_mP8_6_ab_a2b_ab_a:Br-Ca-N-Sr,8.0,A2B3C2D_mP8_6_ab_a2b_ab_a:Br-Ca-N-Sr +mp-1046407,Mg4Ti5(TeO6)3,-7.475760922,-2.6641310965,0.2504423052,0.2504423052,GGA,C2/c,A4B18C3D5_mC120_15_2f_9f_af_e2f:Mg-O-Te-Ti,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_15_6f_35f_c2f_e4f:Mg-O-Te-Ti, expected Mg12Ti9(TeO14)5 to be Mg4Ti5(TeO6)3" +mp-1112521,Cs2RbInI6,-2.784652964,-1.3483308993,0.0654776617,0.0654776617,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Rb +mp-1205397,Ba2YInSe5,-5.2771146633,-1.8842633176,0.0066038269,0.0066038269,GGA,Cmc2_1,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Y,18.0,A2BC5D_oC36_36_2a_a_5a_a:Ba-In-Se-Y +mp-1110603,Rb2AgPdF6,-4.316073401,-2.1718354247,0.0,-0.0044556945,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Pd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Pd-Rb +mp-1211920,Ho2NiRuO6,-8.049859839,-2.6599109162,0.0386019309,0.0386019309,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ho-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Ho-Ni-O-Ru +mp-1224476,Ho3(NiRu2)2,-7.31855356,-0.3846524344,0.0,-9.28028e-05,GGA,P-1,A3B2C4_aP18_2_3i_dei_bc3i:Ho-Ni-Ru,18.0,"Invalid WP multiplicities - A3B2C4_aP18_2_5i_dei_bc4i:Ho-Ni-Ru, expected Ho5Ni2Ru5 to be Ho3(NiRu2)2" +mp-1184689,Ho2NiRu,-6.4773044025,-0.4224651625,0.0,-0.009551873,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Ni-Ru +mp-1222782,LaPaO4,-9.846143725,-4.1399059567,0.0,-0.4872249445,GGA,P4/mmm,AB4C_tP6_123_a_i_d:La-O-Pa,6.0,AB4C_tP6_123_a_i_d:La-O-Pa +mp-1205623,Ba2LaPaO6,-8.452073908,-3.6551985168,0.0,-0.041543401,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Pa +mp-28435,KFeCl4,-4.4653383387,-1.6362438726,0.0,-0.1070421099,GGA,P2_1,A4BC_mP24_4_8a_2a_2a:Cl-Fe-K,24.0,"Invalid WP multiplicities - A4BC_mP24_4_12a_2a_2a:Cl-Fe-K, expected KFeCl6 to be KFeCl4" +mp-23538,KFeCl3,-4.6039819965,-1.5787759691,0.0313170278,0.0313170278,GGA,Pnma,A3BC_oP20_62_3c_c_c:Cl-Fe-K,20.0,A3BC_oP20_62_3c_c_c:Cl-Fe-K +mp-690672,K3NaFeCl6,-3.8204801764,-1.619119876,0.3174833156,0.3174833156,GGA,C2/m,A6BC3D_mC22_12_ij_c_ae_b:Cl-Fe-K-Na,11.0,"Invalid WP multiplicities - A6BC3D_mC22_12_2i3j_c_af_b:Cl-Fe-K-Na, expected K3NaFeCl16 to be K3NaFeCl6" +mp-1181681,K3NaFeCl6,-4.0858907245,-1.8845304241,0.0520727674,0.0520727674,GGA,C2/m,A6BC3D_mC22_12_ij_c_bf_a:Cl-Fe-K-Na,11.0,"Invalid WP multiplicities - A6BC3D_mC22_12_2i3j_c_ae_b:Cl-Fe-K-Na, expected K3NaFeCl16 to be K3NaFeCl6" +mp-1181381,K3NaFeCl6,-3.9525989882,-1.7512386878,0.1853645038,0.1853645038,GGA,C2/c,A6BC3D_mC44_15_3f_a_ef_e:Cl-Fe-K-Na,22.0,"Invalid WP multiplicities - A6BC3D_mC44_15_12f_c_2e3f_e:Cl-Fe-K-Na, expected K8NaFeCl24 to be K3NaFeCl6" +mp-752477,K3NaFeCl6,-4.08612136,-1.8847610596,0.051842132,0.051842132,GGA,R-3m,A6BC3D_hR33_166_h_a_d_b:Cl-Fe-K-Na,11.0,A6BC3D_hR33_166_h_a_d_b:Cl-Fe-K-Na +mp-23125,K3NaFeCl6,-4.1268345668,-1.9254742664,0.0111289252,0.0111289252,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:Cl-Fe-K-Na,22.0,A6BC3D_hR66_167_f_b_e_a:Cl-Fe-K-Na +mp-1210460,Na2FeCl4,-4.306819255,-1.6626451926,0.0253326379,0.0253326379,GGA,Pbam,A4BC2_oP14_55_gh_a_h:Cl-Fe-Na,14.0,A4BC2_oP14_55_gh_a_h:Cl-Fe-Na +mp-27514,NaFeCl4,-4.39846668,-1.5340178228,0.0,-0.0543552811,GGA,P2_12_12_1,A4BC_oP24_19_4a_a_a:Cl-Fe-Na,24.0,A4BC_oP24_19_4a_a_a:Cl-Fe-Na +mp-1212446,Na6FeCl8,-3.9790970933,-1.8995326766,0.0133191527,0.0133191527,GGA,Fm-3m,A8BC6_cF60_225_ce_a_d:Cl-Fe-Na,15.0,A8BC6_cF60_225_ce_a_d:Cl-Fe-Na +mp-1110624,RbNa2FeF6,-5.007392916,-2.6509449486000003,0.2743109232,0.2743109232,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-Na-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-Na-Rb +mp-558078,Rb2NaFeF6,-5.27334308,-2.9510942347,0.0,-0.0437774797,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-Na-Rb +mp-16916,Ca6FeN5,-6.1148647879,-0.932690195,0.0,-0.0024061915,GGA,P6_3/mcm,A6BC5_hP24_193_k_a_dg:Ca-Fe-N,24.0,"Invalid WP multiplicities - A6BC5_hP24_193_k_a_d2g:Ca-Fe-N, expected Ca6FeN8 to be Ca6FeN5" +mp-1245790,Ca5(FeN2)2,-6.2553029107,-0.7722100452,0.0572615848,0.0572615848,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-Fe-N,44.0,A5B2C4_tP44_130_cg_f_g:Ca-Fe-N +mp-1211085,LiCa2FeN2,-5.9013187708,-0.7241298231000001,0.0211037831,0.0211037831,GGA,P4_2/mnm,A2BCD2_tP12_136_d_a_b_f:Ca-Fe-Li-N,12.0,A2BCD2_tP12_136_d_a_b_f:Ca-Fe-Li-N +mp-1370897,Ca11(FeN5)2,-6.2009438117,-0.8806572748,0.038925369,0.038925369,GGA,Cm,A11B2C10_mC46_8_3a4b_2a_2a4b:Ca-Fe-N,23.0,"Invalid WP multiplicities - A11B2C10_mC46_8_3a8b_2a_2a8b:Ca-Fe-N, expected Ca19(FeN9)2 to be Ca11(FeN5)2" +mp-1246856,Ca3Fe3N5,-7.3651364855,-0.7188330405000001,0.0,-0.0138345836,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Fe-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Fe-N +mp-1423472,Ca(FeN)2,-7.210877282,-0.087150852,0.4821866543,0.4821866543,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Ca-Fe-N,5.0,AB2C2_tP5_115_a_f_g:Ca-Fe-N +mp-1246212,Ca8Fe3N8,-6.5978627111,-0.9059247074,0.0058557382,0.0058557382,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Ca-Fe-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Ca-Fe-N +mp-1029659,Ca3FeN3,-6.5703916143,-0.9280622393,0.0,-0.0239954369,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-Fe-N,14.0,A3BC3_hP14_176_h_c_h:Ca-Fe-N +mp-28770,Ca2FeN2,-6.691165066,-0.8603229020000001,0.0058685213,0.0058685213,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ca-Fe-N,10.0,A2BC2_mC20_12_2i_i_2i:Ca-Fe-N +mp-1246229,Ca9(FeN4)2,-6.2380868611,-0.8863815589,0.0446035997,0.0446035997,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Ca-Fe-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Ca-Fe-N +mp-1385807,Ca3(FeN2)2,-6.9984325644,-0.74256348,0.0576364711,0.0576364711,GGA,Imm2,A3B2C4_oI18_44_ac_c_2bc:Ca-Fe-N,9.0,A3B2C4_oI18_44_ac_c_2bc:Ca-Fe-N +mp-1246459,Ca5FeN4,-5.8127073005,-0.6283072695,0.2841115235,0.2841115235,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Fe-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Fe-N +mp-1224704,Gd2ScNbO7,-10.8778480109,-3.6766807742,0.0364358979,0.0364358979,GGA,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Gd-Nb-O-Sc,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Gd-Nb-O-Sc, expected Gd2ScNbO13 to be Gd2ScNbO7" +mp-570931,SrLi3MnN3,-5.9523673919,-0.7538971268,0.0,-0.0109300905,GGA,R-3,A3BC3D_hR48_148_f_c_f_c:Li-Mn-N-Sr,16.0,A3BC3D_hR48_148_f_c_f_c:Li-Mn-N-Sr +mp-1217462,ThSc2(BRh)12,-7.5301829911,-0.5448795781,0.0550708469,0.0550708469,GGA,P-4m2,A12B12C2D_tP54_115_3j3k_3j3k_ace_f:B-Rh-Sc-Th,54.0,"Invalid WP multiplicities - A12B12C2D_tP54_115_12j12k_12j12k_ace_f:B-Rh-Sc-Th, expected ThSc2(BRh)48 to be ThSc2(BRh)12" +mp-1106347,Th(BRh)4,-7.650275225,-0.5848689124,0.025339435,0.025339435,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Rh-Th,18.0,A4B4C_tP18_137_g_g_a:B-Rh-Th +mp-1217330,ThSc(BRh)8,-7.5583522461,-0.5530231082,0.0551931905,0.0551931905,GGA,P-4m2,A8B8CD_tP18_115_jk_jk_a_c:B-Rh-Sc-Th,18.0,"Invalid WP multiplicities - A8B8CD_tP18_115_2jk_2jk_c_a:B-Rh-Sc-Th, expected ThSc(BRh)12 to be ThSc(BRh)8" +mp-1206772,ThBRh3,-8.120506696,-0.8832719698,0.0,-0.2098727757,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Th,5.0,AB3C_cP5_221_b_c_a:B-Rh-Th +mp-999137,SmTlSe2,-5.1343511725,-1.6160881133,0.0,-0.0883046381,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Sm-Tl,4.0,A2BC_hR12_166_c_a_b:Se-Sm-Tl +mp-1105449,SmTl(PSe3)2,-4.814272752,-0.9259424359,0.0,-0.0479301211,GGA,P2_1,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Sm-Tl,20.0,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Sm-Tl +mp-558039,Sr2HoSbO6,-7.298434802,-3.1213818736,0.0,-0.0829556591,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ho-O-Sb-Sr,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_10e_b_e:Ho-O-Sb-Sr, expected Sr2HoSbO20 to be Sr2HoSbO6" +mp-1213962,CaAl2F8,-6.1608877055,-3.9073801345,0.0681855191,0.0681855191,GGA,C2/c,A2BC8_mC44_15_ce_e_4f:Al-Ca-F,22.0,A2BC8_mC44_15_ae_e_4f:Al-Ca-F +mp-1227363,CaAl2F10,-5.5260947992,-3.3252070135,0.038733155,0.038733155,GGA,C2,A2BC10_mC26_5_c_a_ab4c:Al-Ca-F,13.0,A2BC10_mC26_5_c_a_ab4c:Al-Ca-F +mp-6134,LiCaAlF6,-5.99731567,-3.8718742943,0.0,-0.0200723283,GGA,P-31c,ABC6D_hP18_163_c_b_i_d:Al-Ca-F-Li,18.0,ABC6D_hP18_163_c_b_i_d:Al-Ca-F-Li +mp-16795,CaAlF5,-6.2193755771,-4.0324369275,0.0032406693,-0.0052938089,GGA,P2_1/c,ABC5_mP28_14_e_e_5e:Al-Ca-F,28.0,ABC5_mP28_14_e_e_5e:Al-Ca-F +mp-8836,CaAlF5,-6.2226162464,-4.0356775968,0.0,-0.0085344782,GGA,C2/c,ABC5_mC28_15_a_e_e2f:Al-Ca-F,14.0,ABC5_mC28_15_c_e_e2f:Al-Ca-F +mp-29221,Ca2AlF7,-6.203565301,-4.0898524648,0.0024061815,0.0024061815,GGA,Pnma,AB2C7_oP40_62_c_2c_3c2d:Al-Ca-F,40.0,"Invalid WP multiplicities - AB2C7_oP40_62_c_2c_3c3d:Al-Ca-F, expected Ca2AlF9 to be Ca2AlF7" +mp-628185,K3NaSn3Se8,-4.0018186823,-1.0251700476,0.0,-0.0024032803,GGA,P4/nbm,A3BC8D3_tP30_125_ag_c_2m_dh:K-Na-Se-Sn,30.0,"Invalid WP multiplicities - A3BC8D3_tP30_125_ag_c_10m_dh:K-Na-Se-Sn, expected K3NaSn3Se40 to be K3NaSn3Se8" +mp-9741,Na3Cd2IrO6,-5.2367534308,-1.5424266102000002,0.0,-0.0798824276,GGA,C2/m,A2BC3D6_mC24_12_g_a_dh_ij:Cd-Ir-Na-O,12.0,A2BC3D6_mC24_12_g_a_dh_ij:Cd-Ir-Na-O +mp-1273033,LaMn2CdO6,-7.698852335,-2.3125463633,0.1584724203,0.1584724203,GGA+U,P1,ABC2D6_aP20_1_2a_2a_4a_12a:Cd-La-Mn-O,20.0,ABC2D6_aP20_1_2a_2a_4a_12a:Cd-La-Mn-O +mp-1286205,LaMn2CdO6,-7.691372697,-2.3050667253,0.1659520583,0.1659520583,GGA+U,P1,ABC2D6_aP10_1_a_a_2a_6a:Cd-La-Mn-O,10.0,ABC2D6_aP10_1_a_a_2a_6a:Cd-La-Mn-O +mp-1275988,LaMn2CdO6,-7.697361529,-2.3110555573,0.1599632263,0.1599632263,GGA+U,C2,ABC2D6_mC20_5_a_b_c_ab2c:Cd-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_b_c_ab3c:Cd-La-Mn-O, expected LaMn2CdO8 to be LaMn2CdO6" +mp-1222846,LaMn2CdO6,-7.703296259,-2.3169902873,0.1540284963,0.1540284963,GGA+U,R32,ABC2D6_hR30_155_a_b_c_de:Cd-La-Mn-O,10.0,ABC2D6_hR30_155_a_b_c_de:Cd-La-Mn-O +mp-583553,Mo6PbCl14,-5.8962973008,-1.3883896356,0.0,-0.0132169515,GGA,Pn-3,A14B6C_cP84_201_e2h_h_b:Cl-Mo-Pb,84.0,"Invalid WP multiplicities - A14B6C_cP84_201_7e31h_h_b:Cl-Mo-Pb, expected Mo6PbCl200 to be Mo6PbCl14" +mp-557563,MoPb3Cl2O5,-6.3533151445,-1.7702143994,0.0,-0.0036477984,GGA+U,Cmcm,A2BC5D3_oC44_63_ac_c_ch_cf:Cl-Mo-O-Pb,22.0,"Invalid WP multiplicities - A2BC5D3_oC44_63_2a2c_c_2c3h_2c2f:Cl-Mo-O-Pb, expected MoPb6(Cl2O7)2 to be MoPb3Cl2O5" +mp-1198048,Li2Cu3(Se2O7)2,-5.6332197441,-1.3135348045,0.0,-0.0080749369,GGA,C2/c,A3B2C14D4_mC92_15_af_f_7f_2f:Cu-Li-O-Se,46.0,A3B2C14D4_mC92_15_cf_f_7f_2f:Cu-Li-O-Se +mp-2230342,MgNb4(NiO6)2,-8.4148653116,-2.4713896218,0.2582081497,0.2582081497,GGA+U,P2/m,AB4C2D12_mP19_10_b_jk_ce_mn2o:Mg-Nb-Ni-O,19.0,"Invalid WP multiplicities - AB4C2D12_mP19_10_e_ik_bc_2m2n6o:Mg-Nb-Ni-O, expected MgNb4(NiO16)2 to be MgNb4(NiO6)2" +mp-2230544,MgNb4(NiO6)2,-8.3684171453,-2.4249414555,0.3046563161,0.3046563161,GGA+U,P-4,AB4C2D12_tP19_81_a_2g_g_3h:Mg-Nb-Ni-O,19.0,"Invalid WP multiplicities - AB4C2D12_tP19_81_a_4g_g_12h:Mg-Nb-Ni-O, expected MgNb8(NiO24)2 to be MgNb4(NiO6)2" +mp-1028351,Mg14NbNi,-2.3057497394,0.0870854119,0.1355718518,0.1355718518,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Ni,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Ni, expected Mg18NbNi to be Mg14NbNi" +mp-1028349,Mg14NbNi,-2.3027512513,0.0900839,0.1385703399,0.1385703399,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Ni,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Ni, expected Mg26NbNi to be Mg14NbNi" +mp-1037059,Mg30NbNiO32,-6.3955593027,-2.9239361467,0.0808713917,0.0808713917,GGA+U,P4/mmm,A30BCD32_tP64_123_abefjkst_c_d_ghilmnor:Mg-Nb-Ni-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_ab2e2f4j4k3s3t_c_d_ghi4l4m4n4or:Mg-Nb-Ni-O, expected Mg90NbNiO80 to be Mg30NbNiO32" +mp-1037074,Mg30NbNiO32,-6.3970395427,-2.9254163867000003,0.0793911517,0.0793911517,GGA+U,P4/mmm,A30BCD32_tP64_123_acefjkst_b_d_ghilmnor:Mg-Nb-Ni-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_acefjk6s6t_b_d_2g2h2i3l3m3n3or:Mg-Nb-Ni-O, expected Mg110NbNiO72 to be Mg30NbNiO32" +mp-1046848,Mg2Nb2NiO8,-8.0823193504,-2.7933334619,0.0185926281,0.0185926281,GGA+U,C2/c,A2B2CD8_mC52_15_f_f_e_4f:Mg-Nb-Ni-O,26.0,"Invalid WP multiplicities - A2B2CD8_mC52_15_f_f_e_5f:Mg-Nb-Ni-O, expected Mg2Nb2NiO10 to be Mg2Nb2NiO8" +mp-1021876,Mg6NbNi,-3.0514172944,0.1339729581,0.2095873284,0.2095873284,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Ni,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Ni, expected Mg12NbNi to be Mg6NbNi" +mp-1022045,Mg6NbNi,-3.0052321275,0.180158125,0.2557724952,0.2557724952,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Ni,8.0,A6BC_oC16_38_2bde_a_a:Mg-Nb-Ni +mp-1034850,Mg14NbNiO16,-6.4605534434,-2.7907915122,0.1647832652,0.1647832652,GGA+U,Pmmm,A14BCD16_oP32_47_abjlnpy_e_f_cdghikmoz:Mg-Nb-Ni-O,32.0,"Invalid WP multiplicities - A14BCD16_oP32_47_abjl2n2py_e_f_cdghik2m2oz:Mg-Nb-Ni-O, expected Mg18NbNiO20 to be Mg14NbNiO16" +mp-1034805,Mg14NbNiO16,-6.4593156731,-2.7895537419,0.1660210355,0.1660210355,GGA+U,P4/mmm,A14BCD16_tP32_123_ekln_b_d_acfjmo:Mg-Nb-Ni-O,32.0,"Invalid WP multiplicities - A14BCD16_tP32_123_ek3l3n_b_d_acfj3m3o:Mg-Nb-Ni-O, expected Mg30NbNiO32 to be Mg14NbNiO16" +mp-1031733,Mg6NbNiO8,-6.6033997244,-2.5373602425,0.3197490129,0.3197490129,GGA+U,P4/mmm,A6BCD8_tP16_123_abi_c_d_efgh:Mg-Nb-Ni-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_abi_c_d_2e2fgh:Mg-Nb-Ni-O, expected Mg6NbNiO12 to be Mg6NbNiO8" +mp-1031823,Mg6NbNiO8,-6.6164527288,-2.5504132469,0.3066960086,0.3066960086,GGA+U,P4/mmm,A6BCD8_tP16_123_aci_b_d_efgh:Mg-Nb-Ni-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_aci_b_d_2e2fgh:Mg-Nb-Ni-O, expected Mg6NbNiO12 to be Mg6NbNiO8" +mp-15282,RbMn4(AsO4)3,-7.5316648887,-1.9833541392,0.0,-0.0432858562,GGA+U,Pnnm,A3B4C12D_oP80_58_3g_2gh_6g3h_g:As-Mn-O-Rb,80.0,"Invalid WP multiplicities - A3B4C12D_oP80_58_3g_2gh_6g5h_g:As-Mn-O-Rb, expected RbMn4As3O16 to be RbMn4(AsO4)3" +mp-556158,RbMn6As7O24,-7.3695390759,-1.9146184514,0.0,-0.0017418067,GGA+U,P2_1/m,A7B6C24D_mP76_11_e3f_3f_2e11f_e:As-Mn-O-Rb,76.0,"Invalid WP multiplicities - A7B6C24D_mP76_11_2e8f_7f_4e42f_e:As-Mn-O-Rb, expected RbMn14(As9O44)2 to be RbMn6As7O24" +mp-755834,AgSnO3,-5.689126443,-1.3526876446,0.090615487,0.090615487,GGA,Cmmm,AB3C_oC20_65_ab_hp_f:Ag-O-Sn,10.0,"Invalid WP multiplicities - AB3C_oC20_65_ab_h2p_f:Ag-O-Sn, expected AgSnO5 to be AgSnO3" +mp-2217778,MgAg2(SnO3)2,-5.5801351264,-1.4924380323,0.308439175,0.308439175,GGA,Amm2,A2BC6D2_oC22_38_2b_a_d2e_d:Ag-Mg-O-Sn,11.0,A2BC6D2_oC22_38_2b_a_d2e_d:Ag-Mg-O-Sn +mp-680202,Ag2SnO3,-5.2891010694,-1.2033094035,0.0123452331,0.0123452331,GGA,P2_12_12_1,A2B3C_oP144_19_12a_18a_6a:Ag-O-Sn,144.0,"Invalid WP multiplicities - A2B3C_oP144_19_46a_68a_22a:Ag-O-Sn, expected Ag23Sn11O34 to be Ag2SnO3" +mp-759209,Ag2SnO3,-5.2894325129,-1.203640847,0.0120137896,0.0120137896,GGA,P6_322,A2B3C_hP24_182_cg_i_bd:Ag-O-Sn,24.0,"Invalid WP multiplicities - A2B3C_hP24_182_2c3g_i_b2d:Ag-O-Sn, expected Ag11(SnO2)3 to be Ag2SnO3" +mp-1220757,NaLa(MoO4)2,-8.1636315183,-2.536686326,0.0,-0.0178009204,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:La-Mo-Na-O,12.0,"Invalid WP multiplicities - AB2CD8_tI24_82_a_bc_d_4g:La-Mo-Na-O, expected NaLa(MoO8)2 to be NaLa(MoO4)2" +mp-19479,Na5La(MoO4)4,-7.4975413915,-2.3406854918,0.0,-0.0090284704,GGA+U,I4_1/a,AB4C5D16_tI104_88_a_f_bf_4f:La-Mo-Na-O,52.0,"Invalid WP multiplicities - AB4C5D16_tI104_88_a_f_bf_5f:La-Mo-Na-O, expected Na5La(MoO5)4 to be Na5La(MoO4)4" +mp-1247020,Mg2Al3CrS8,-5.4802220186,-1.3957981618,0.014135388,0.014135388,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Al-Cr-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c3h:Al-Cr-Mg-S, expected Mg2Al3CrS22 to be Mg2Al3CrS8" +mp-1028251,Mg14AlCr,-2.1702151481,0.0674438519,0.1067741651,0.1067741651,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Cr-Mg, expected Mg18AlCr to be Mg14AlCr" +mp-1028240,Mg14AlCr,-2.16617577,0.07148323,0.1108135432,0.1108135432,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Cr-Mg, expected Mg26AlCr to be Mg14AlCr" +mp-1023280,Mg6AlCr,-2.7451808456,0.1298571044,0.1821135319,0.1821135319,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Cr-Mg, expected Mg12AlCr to be Mg6AlCr" +mp-1023302,Mg6AlCr,-2.7523735594,0.1226643906,0.1749208181,0.1749208181,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Cr-Mg, expected Mg12AlCr to be Mg6AlCr" +mp-1247113,MgAlCrS4,-5.8345038021,-1.3281176854,0.0136628768,0.0136628768,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Al-Cr-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Al-Cr-Mg-S, expected MgAlCrS12 to be MgAlCrS4" +mp-1185658,Mg16Al12Cr,-2.7594402297,0.0062300541,0.0620479795,0.0620479795,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Cr-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a9b5c:Al-Cr-Mg, expected Mg58Al39Cr to be Mg16Al12Cr" +mp-1185657,Mg16Al12Cr,-2.7496553634,0.0160149203,0.0718328458,0.0718328458,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Cr-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c4g:Al-Cr-Mg, expected Mg60Al12Cr to be Mg16Al12Cr" +mp-1246790,Mg2AlCr3S8,-6.1869358507,-1.2585874739,0.0150401005,0.0150401005,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Al-Cr-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c2h:Al-Cr-Mg-S, expected Mg2AlCr3S16 to be Mg2AlCr3S8" +mp-3778,Mg3(Al9Cr)2,-4.0788886385,-0.0994408111,0.0,-0.0160829769,GGA,Fd-3m,A18B2C3_cF184_227_fg_d_ac:Al-Cr-Mg,46.0,"Invalid WP multiplicities - A18B2C3_cF184_227_3f3g_d_ac:Al-Cr-Mg, expected Mg3(Al27Cr)2 to be Mg3(Al9Cr)2" +mp-1340170,Ca2TiIrO6,-7.855201483,-2.8126756606,0.0171060527,0.0171060527,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ir-O-Ti,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_b:Ca-Ir-O-Ti, expected Ca2TiIrO20 to be Ca2TiIrO6" +mp-1095897,Ti2ZnIr,-4.0011928425,2.4710976133,3.0157812567,3.0157812567,GGA,Immm,AB2C_oI8_71_a_e_b:Ir-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Ir-Ti-Zn +mp-1369121,TiZn2IrO6,-6.8871295345,-1.9937749661,0.1538087956,0.1538087956,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ir-O-Ti-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_10e_b_e:Ir-O-Ti-Zn, expected TiZn2IrO20 to be TiZn2IrO6" +mp-865048,TiZnIr2,-7.41548705,-0.7074610533,0.0,-0.0927609425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Ir-Ti-Zn +mp-1218072,Ta4FeCoO12,-9.7445959325,-2.9462784847,0.0006589342,0.0006589342,GGA+U,Cmmm,ABC12D4_oC36_65_a_c_gjno_kl:Co-Fe-O-Ta,36.0,ABC12D4_oC36_65_a_c_gjno_kl:Co-Fe-O-Ta +mp-1235771,LiAl4Tl4O12,-6.1818191652,-2.1007685315,0.2122367529,0.2122367529,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl +mp-1235887,LiAl4Tl4O12,-6.1580398338,-2.0769892001,0.2360160844,0.2360160844,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl +mp-1236125,LiAl4Tl4O12,-6.165711201,-2.0846605672,0.2283447172,0.2283447172,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Li-O-Tl +mp-1235394,LiAl4Tl4O12,-6.152069349,-2.0710187153,0.2419865691,0.2419865691,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Li-O-Tl,21.0,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Li-O-Tl +mp-1227680,CdHg6(Sb2I3)2,-2.083994054,-0.4309837593,0.0,-0.0159787781,GGA,C2/c,AB6C6D4_mC136_15_f_2e5f_6f_4f:Cd-Hg-I-Sb,68.0,"Invalid WP multiplicities - AB6C6D4_mC136_15_f_4e17f_24f_13f:Cd-Hg-I-Sb, expected CdHg19Sb13I24 to be CdHg6(Sb2I3)2" +mp-29044,Cd4Sb2I3,-2.3451364592,-0.5262852847,0.0,-0.03055386,GGA,Pa-3,A4B3C2_cP72_205_cd_d_2c:Cd-I-Sb,72.0,A4B3C2_cP72_205_cd_d_2c:Cd-I-Sb +mp-8397,CsSrF3,-5.337036404,-3.6731698584,0.003398826,0.003398826,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-F-Sr,5.0,AB3C_cP5_221_a_c_b:Cs-F-Sr +mp-989574,Cs2NaSrF6,-4.646668555,-3.0194988254,0.0242882425,0.0242882425,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sr +mp-1206632,Sm2Cl2F,-4.630648028,-1.6215031165,0.982979534,0.982979534,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-F-Sm,5.0,A2BC2_tP5_123_g_a_g:Cl-F-Sm +mp-608254,SmClF,-5.7451019683,-2.9189013808,0.2395610072,0.2395610072,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Sm,6.0,ABC_tP6_129_c_a_c:Cl-F-Sm +mp-1217969,SrSm(ClF)2,-5.5292724517,-3.2079206444,0.2155007753,0.2155007753,GGA,P4mm,A2B2CD_tP6_99_ab_c_a_b:Cl-F-Sm-Sr,6.0,A2B2CD_tP6_99_ab_c_a_b:Cl-F-Sm-Sr +mp-1110589,Rb2IrAuF6,-4.534548526,-1.980322713,0.252661801,0.252661801,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-Rb +mp-989553,Cs2TlGaH6,-2.8732582730000003,-0.1194682547,0.1141431594,0.1141431594,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-H-Tl,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-H-Tl +mp-1110892,K2NaPrCl6,-4.33175616,-2.3902112698,0.072001981,0.072001981,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Pr +mp-1191830,Tb2Mn3Cu9P7,-5.7330288024,-0.4215642475,0.079176678,0.079176678,GGA,Pm,A9B3C7D2_mP21_6_3a6b_3a_3a4b_ab:Cu-Mn-P-Tb,21.0,A9B3C7D2_mP21_6_3a6b_3a_3a4b_ab:Cu-Mn-P-Tb +mp-1191573,Tb2Mn12P7,-8.1871692076,-0.7059295290000001,0.0,-0.0324353558,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Tb,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-Tb +mp-1111241,K2NaAuBr6,-2.955772554,-1.3422350373,0.1435454798,0.1435454798,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Na +mp-1111621,K2NaScCl6,-4.468546396,-2.3718451708,0.0103313747,0.0103313747,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sc +mp-14563,NaCa3IrO6,-6.6678391309,-2.4989399145,0.0,-0.024184775,GGA,R-3c,A3BCD6_hR66_167_e_b_a_f:Ca-Ir-Na-O,22.0,A3BCD6_hR66_167_e_b_a_f:Ca-Ir-Na-O +mp-726396,SbN2Cl5,-3.3169821813,0.4386021175,1.307762695,1.307762695,GGA,C2/m,A5B2C_mC32_12_i2j_2i_i:Cl-N-Sb,16.0,A5B2C_mC32_12_i2j_2i_i:Cl-N-Sb +mp-27351,SbN3Cl4,-5.1464975228,-0.5799184409,0.1869801516,0.1869801516,GGA,P2_1/c,A4B3C_mP32_14_4e_3e_e:Cl-N-Sb,32.0,"Invalid WP multiplicities - A4B3C_mP32_14_7e_4e_e:Cl-N-Sb, expected SbN4Cl7 to be SbN3Cl4" +mp-1246092,SbSeN,-5.25443772,0.0660314942,0.3653367344,0.3653367344,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Sb-Se,6.0,ABC_tP6_129_a_c_c:N-Sb-Se +mp-1203978,SbSe2NCl8,-3.6094079294,-0.7556068960000001,0.1222282147,0.1222282147,GGA,Pna2_1,A8BCD2_oP144_33_24a_3a_3a_6a:Cl-N-Sb-Se,144.0,A8BCD2_oP144_33_24a_3a_3a_6a:Cl-N-Sb-Se +mp-570693,SbSe3N2Cl7,-3.9564843481,-0.5542164909,0.1758324041,0.1758324041,GGA,P1,A7B2CD3_aP26_1_14a_4a_2a_6a:Cl-N-Sb-Se,26.0,A7B2CD3_aP26_1_14a_4a_2a_6a:Cl-N-Sb-Se +mp-628690,SbN6Cl,-7.0929742672,-0.0934108359,0.1281346999,0.1281346999,GGA,C2/c,AB6C_mC64_15_f_6f_f:Cl-N-Sb,32.0,"Invalid WP multiplicities - AB6C_mC64_15_f_23f_f:Cl-N-Sb, expected SbN23Cl to be SbN6Cl" +mp-1184369,EuPdO3,-7.853212588,-1.7978226392,0.1713675869,0.1713675869,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Pd,5.0,AB3C_cP5_221_a_c_b:Eu-O-Pd +mp-1182243,BaEu2PdO5,-8.4516414,-2.6353854104,0.0,-0.0171576137,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Eu-O-Pd,18.0,"Invalid WP multiplicities - AB2C5D_tP18_127_b_g_2a2k_c:Ba-Eu-O-Pd, expected BaEu2PdO10 to be BaEu2PdO5" +mp-1213439,Eu4PdO7,-9.5024389554,-2.766213123,0.0198393631,0.0198393631,GGA,P-1,A4B7C_aP24_2_4i_7i_ab:Eu-O-Pd,24.0,A4B7C_aP24_2_4i_7i_ab:Eu-O-Pd +mp-1239180,Li19La12Zr8O48,-7.6553545052,-3.0424317131,0.0927991044,0.0927991044,GGA,I-4,A12B19C48D8_tI174_82_ef2g_abc4g_12g_2g:La-Li-O-Zr,87.0,"Invalid WP multiplicities - A12B19C48D8_tI174_82_ef7g_abc14g_42g_6g:La-Li-O-Zr, expected Li59La32Zr24O168 to be Li19La12Zr8O48" +mp-1120817,Li17La12Zr8O48,-7.6834197813,-3.0068734616,0.1280234573,0.1280234573,GGA,I-4,A12B17C48D8_tI170_82_ef2g_a4g_12g_2g:La-Li-O-Zr,85.0,"Invalid WP multiplicities - A12B17C48D8_tI170_82_ef7g_a14g_42g_6g:La-Li-O-Zr, expected Li57La32Zr24O168 to be Li17La12Zr8O48" +mp-942733,Li7La3Zr2O12,-7.4841758823,-3.1247530833,0.0062879398,0.0062879398,GGA,I4_1/acd,A3B7C12D2_tI192_142_be_afg_3g_c:La-Li-O-Zr,96.0,A3B7C12D2_tI192_142_be_afg_3g_c:La-Li-O-Zr +mp-728271,Al2Br7N,-3.3013137982,-0.6314293087,0.6333618438,0.6333618438,GGA,Pna2_1,A2B7C_oP40_33_2a_7a_a:Al-Br-N,40.0,A2B7C_oP40_33_2a_7a_a:Al-Br-N +mp-1202918,AlBr3N,-3.3143139946,0.0339171544,1.2987083069,1.2987083069,GGA,Pbca,AB3C_oP80_61_2c_6c_2c:Al-Br-N,80.0,AB3C_oP80_61_2c_6c_2c:Al-Br-N +mp-567060,AlSeBr3N,-4.3204736133,-0.9476290762,0.1063635509,0.1063635509,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:Al-Br-N-Se,24.0,"Invalid WP multiplicities - AB3CD_mP24_14_e_10e_e_e:Al-Br-N-Se, expected AlSeBr10N to be AlSeBr3N" +mp-1219154,Sm2ScNbO7,-9.1800002986,-3.6802032628,0.0327962011,0.0327962011,GGA,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Nb-O-Sc-Sm,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Nb-O-Sc-Sm, expected Sm2ScNbO13 to be Sm2ScNbO7" +mp-2218108,EuMg(ReO4)2,-8.6987016192,-2.33871446,0.2309768133,0.2309768133,GGA,P-3m1,ABC8D2_hP12_164_a_b_di_d:Eu-Mg-O-Re,12.0,"Invalid WP multiplicities - ABC8D2_hP12_164_a_b_2d3i_d:Eu-Mg-O-Re, expected EuMg(ReO11)2 to be EuMg(ReO4)2" +mp-952566,NaSnSb,-3.450522135,-0.2968226722,0.0,-0.0175710146,GGA,P6_3mc,ABC_hP6_186_b_b_a:Na-Sb-Sn,6.0,ABC_hP6_186_b_b_a:Na-Sb-Sn +mp-6758,KNa4SnSb3,-2.9758647386,-0.442856328,0.0045747531,0.0045747531,GGA,P2_1/c,AB4C3D_mP36_14_e_4e_3e_e:K-Na-Sb-Sn,36.0,"Invalid WP multiplicities - AB4C3D_mP36_14_e_7e_7e_e:K-Na-Sb-Sn, expected KNa7SnSb7 to be KNa4SnSb3" +mp-29739,Na5SnSb3,-2.9823049326,-0.4257269279,0.0,-0.0072213103,GGA,P2_1/c,A5B3C_mP72_14_10e_6e_2e:Na-Sb-Sn,72.0,A5B3C_mP72_14_10e_6e_2e:Na-Sb-Sn +mp-3138,Na8SnSb4,-2.83928133,-0.4465290867,0.0,-0.0052574666,GGA,Fd-3m,A8B4C_cF104_227_cf_e_a:Na-Sb-Sn,26.0,A8B4C_cF104_227_cf_e_a:Na-Sb-Sn +mp-559786,NaAs4BrO6,-5.9457050058,-1.6796917133,0.0,-0.0070469612,GGA,Pnma,A4BCD6_oP48_62_4c_c_c_2c2d:As-Br-Na-O,48.0,"Invalid WP multiplicities - A4BCD6_oP48_62_15c_c_c_7c12d:As-Br-Na-O, expected NaAs15BrO31 to be NaAs4BrO6" +mp-1205991,LaBi2ClO4,-6.7218508475,-2.4403162387,0.0,-0.0494971894,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-La-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-La-O +mp-7377,Ba3(AlSn)2,-3.5578479443,-0.5196736314,0.0,-0.0021586854,GGA,Immm,A2B3C2_oI14_71_e_af_f:Al-Ba-Sn,7.0,A2B3C2_oI14_71_e_af_f:Al-Ba-Sn +mp-1044546,Ba2AlSn2F11,-5.7666192079,-3.477310579,0.043628031,0.043628031,GGA,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-Sn,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-Sn, expected Ba5AlSn5F31 to be Ba2AlSn2F11" +mp-570677,Ba5Al5Sn,-3.2862531136,-0.3469507768,0.0,-0.0083811145,GGA,P-6m2,A5B5C_hP11_187_gk_ahi_c:Al-Ba-Sn,11.0,"Invalid WP multiplicities - A5B5C_hP11_187_2g2k_ahi_c:Al-Ba-Sn, expected Ba5Al10Sn to be Ba5Al5Sn" +mp-1228791,Ba36Al9Sn23,-3.439457094,-0.5716124914,0.0107114486,0.0107114486,GGA,Amm2,A9B36C23_oC136_38_a2cf_2c4d4e4f_a2b2cde3f:Al-Ba-Sn,68.0,"Invalid WP multiplicities - A9B36C23_oC136_38_a4c2f_4c7d7e14f_a2b4cde4f:Al-Ba-Sn, expected Ba92Al17Sn31 to be Ba36Al9Sn23" +mp-1227950,BaAlSn,-3.6834234833,-0.4587159417,0.0260858319,0.0260858319,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Ba-Sn,3.0,ABC_hP3_187_a_d_e:Al-Ba-Sn +mp-1253073,AlSnF5,-5.7430888143,-3.2698684539,0.0430536261,0.0430536261,GGA,Immm,AB5C_oI14_71_a_ceg_b:Al-F-Sn,7.0,AB5C_oI14_71_a_ceg_b:Al-F-Sn +mp-1047454,AlSn3F15,-5.1524302339,-2.8131420283,0.1407630868,0.1407630868,GGA,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Sn,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Sn, expected AlSn6F54 to be AlSn3F15" +mp-5122,Na3AlP2,-3.6009901367,-0.5110306827000001,0.0,-0.0865762492,GGA,Ibam,AB3C2_oI24_72_a_bj_j:Al-Na-P,12.0,AB3C2_oI24_72_a_bj_j:Al-Na-P +mp-1193394,NaEu2AlP3,-6.8983726468,-0.9237994692,0.0,-0.0282125504,GGA,C2/m,AB2CD3_mC56_12_2i_ehj_gi_4ij:Al-Eu-Na-P,28.0,AB2CD3_mC56_12_2i_egj_hi_4ij:Al-Eu-Na-P +mp-1362377,MgAgAsO5,-5.7801155131,-1.5519407613,0.1372791119,0.1372791119,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:Ag-As-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:Ag-As-Mg-O +mp-2228501,MgAg3(AsO4)2,-5.6106762386,-1.3971266271,0.0688038125,0.0688038125,GGA,P1,A3B2CD8_aP14_1_3a_2a_a_8a:Ag-As-Mg-O,14.0,A3B2CD8_aP14_1_3a_2a_a_8a:Ag-As-Mg-O +mp-2228497,MgAg3(AsO4)2,-5.5104332143,-1.2968836029,0.1690468368,0.1690468368,GGA,R3,A3B2CD8_hR42_146_b_2a_a_2a2b:Ag-As-Mg-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_146_b_2a_a_2a3b:Ag-As-Mg-O, expected MgAg3As2O11 to be MgAg3(AsO4)2" +mp-1213571,CsNpMoO6,-8.7348756061,-2.6938795582,0.0,-0.0396128199,GGA+U,P2_1/c,ABCD6_mP36_14_e_e_e_6e:Cs-Mo-Np-O,36.0,ABCD6_mP36_14_e_e_e_6e:Cs-Mo-Np-O +mp-1210263,Np(MoO4)2,-9.1244683955,-2.3778693417,0.0477528869,0.0477528869,GGA+U,Pbca,A2BC8_oP88_61_2c_c_8c:Mo-Np-O,88.0,A2BC8_oP88_61_2c_c_8c:Mo-Np-O +mp-1201281,CsNpMoO7,-8.435464359000001,-2.5038990448,0.0,-0.0794074424,GGA+U,Pnna,ABCD7_oP40_52_c_c_d_d3e:Cs-Mo-Np-O,40.0,ABCD7_oP40_52_c_c_d_d3e:Cs-Mo-Np-O +mp-1186334,NpMoO3,-9.820242098,-2.093542913,0.6744095275,0.6744095275,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Mo-Np-O,5.0,ABC3_cP5_221_b_a_c:Mo-Np-O +mp-1206252,CeZn2AsO2,-4.7628679933,-0.9286892929,1.0976430317,1.0976430317,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:As-Ce-O-Zn,6.0,ABC2D2_tP6_123_a_b_g_g:As-Ce-O-Zn +mp-582023,La21Fe8Sb7C12,-7.0322313906,-0.5517456932,0.0,-0.0597496842,GGA,Fm-3m,A12B8C21D7_cF192_225_g_f_afh_be:C-Fe-La-Sb,48.0,"Invalid WP multiplicities - A12B8C21D7_cF192_225_g_f_a5f4h_b2e:C-Fe-La-Sb, expected La89Fe8Sb13C12 to be La21Fe8Sb7C12" +mp-1192256,Dy3GaCoS7,-6.1647113954,-1.7553844449,0.058909798,0.058909798,GGA,P6_3,AB3CD7_hP24_173_a_c_b_b2c:Co-Dy-Ga-S,24.0,AB3CD7_hP24_173_a_c_b_b2c:Co-Dy-Ga-S +mp-9130,CrSbS3,-6.0245369805,-0.7862573184,0.0,-0.0137317158,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cr-S-Sb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_6c_c:Cr-S-Sb, expected CrSbS6 to be CrSbS3" +mp-1226326,Cr3Cu2SbS8,-6.1364383564,-0.8237129332,0.0,-0.0022771316,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Cu-S-Sb,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Cu-S-Sb, expected Cr3Cu2SbS16 to be Cr3Cu2SbS8" +mp-7976,RbGdO2,-9.217786915,-2.9802784813,0.0,-0.1200718244,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-O-Rb,4.0,AB2C_hR12_166_a_c_b:Gd-O-Rb +mp-1209311,RbGd(MoO4)2,-8.870702959599999,-2.5105807744,0.0226979469,3.16157e-05,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Gd-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Gd-Mo-O-Rb +mp-1209393,RbGd(MoO4)2,-8.8934009065,-2.5332787213,0.0,-0.0226663311,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Gd-Mo-O-Rb,48.0,AB2C8D_oP48_60_c_d_4d_c:Gd-Mo-O-Rb +mp-975308,RbGdO3,-8.289154804,-2.3098103148,0.1769357585,0.1769357585,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Gd-O-Rb,5.0,AB3C_cP5_221_b_c_a:Gd-O-Rb +mp-1219815,Rb5Gd(MoO4)4,-7.7882599081,-2.3456286611,0.0083908814,0.0083908814,GGA+U,P2/m,AB4C16D5_mP26_10_c_mn_2m2n2o_emn:Gd-Mo-O-Rb,26.0,"Invalid WP multiplicities - AB4C16D5_mP26_10_a_2m2n_4m4n8o_e2m2n:Gd-Mo-O-Rb, expected Rb9Gd(MoO6)8 to be Rb5Gd(MoO4)4" +mp-1044753,PrZnCr2O6,-7.927112766,-2.4244251088,0.1521804549,0.1521804549,GGA+U,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Cr-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_4a4b_a_a:Cr-O-Pr-Zn, expected PrZnCr2O12 to be PrZnCr2O6" +mp-557274,Cu4Si2NiS7,-5.1007059871,-0.6733668094,0.0236403463,0.0236403463,GGA,C2,A4BC7D2_mC28_5_2c_a_b3c_c:Cu-Ni-S-Si,14.0,"Invalid WP multiplicities - A4BC7D2_mC28_5_2c_a_b6c_c:Cu-Ni-S-Si, expected Cu4Si2NiS13 to be Cu4Si2NiS7" +mp-1078922,Cu2SiNiS4,-4.8971572038,-0.4034487641,0.2853414249,0.2853414249,GGA,Cmmm,A2BC4D_oC16_65_f_a_n_b:Cu-Ni-S-Si,8.0,A2BC4D_oC16_65_f_a_n_b:Cu-Ni-S-Si +mp-1111304,Na2IrAuF6,-4.40326929,-1.7806452328,0.251788962,0.251788962,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-Na +mp-1112061,K2TmAuCl6,-4.11345051,-2.0072769823,0.1294355262,0.1294355262,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Tm +mp-980386,Yb2Nd2O5,-7.2530073722,-3.1031234854,0.6116487553000001,0.6116487553000001,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Nd-O-Yb,,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Nd-O-Yb, expected Yb2Nd2O9 to be Yb2Nd2O5" +mp-1187576,YbNdO3,-6.9424378,-2.7128734308,0.635569899,0.635569899,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Nd-O-Yb,,AB3C_cP5_221_a_c_b:Nd-O-Yb +mp-1207900,Yb2Nd3(GaO4)3,-7.3096876717,-3.0182770987,0.0238529169,0.0238529169,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-Nd-O-Yb,,A3B3C12D2_cI160_230_d_c_h_a:Ga-Nd-O-Yb +mp-759367,YbNdO2,-7.3469714025,-3.2966881187,0.0944492525,0.0944492525,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Nd-O-Yb,,AB2C_tI16_141_a_e_b:Nd-O-Yb +mp-1223967,Hg2I3Br,-1.7512837983,-0.65453578,0.0121647668,0.0121647668,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Br-Hg-I,6.0,AB2C3_mC12_8_a_2a_3a:Br-Hg-I +mp-570125,Hg2TeBr3,-2.1779138596,-0.7762885907,0.0,-0.0075590337,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:Br-Hg-Te,24.0,"Invalid WP multiplicities - A3B2C_mP24_14_10e_5e_e:Br-Hg-Te, expected Hg5TeBr10 to be Hg2TeBr3" +mp-27853,Hg3(TeBr)2,-2.1111363507,-0.6391778448000001,0.0,-0.0289098137,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Br-Hg-Te,14.0,A2B3C2_cI28_199_a_b_a:Br-Hg-Te +mp-571177,Hg3Te2IBr,-2.015200375,-0.5546221519,0.0109435518,0.0109435518,GGA,C2,AB3CD2_mC56_5_2c_2a5c_2c_4c:Br-Hg-I-Te,28.0,"Invalid WP multiplicities - AB3CD2_mC56_5_3c_2a9c_3c_8c:Br-Hg-I-Te, expected Hg10Te8(IBr)3 to be Hg3Te2IBr" +mp-29097,Hg3TeBr4,-2.0666815061,-0.7833739676,0.0,-0.0176446208,GGA,Pbca,A4B3C_oP64_61_4c_3c_c:Br-Hg-Te,64.0,"Invalid WP multiplicities - A4B3C_oP64_61_6c_4c_c:Br-Hg-Te, expected Hg4TeBr6 to be Hg3TeBr4" +mp-28579,Hg3(TeI)2,-1.9411515029,-0.4919535626,0.0,-0.0178257342,GGA,C2/c,A3B2C2_mC56_15_ce2f_2f_2f:Hg-I-Te,28.0,A3B2C2_mC56_15_ae2f_2f_2f:Hg-I-Te +mp-570172,HgIBr,-1.8430746633,-0.7330496483000001,0.0,-0.0112605738,GGA,Cmc2_1,ABC_oC12_36_a_a_a:Br-Hg-I,6.0,ABC_oC12_36_a_a_a:Br-Hg-I +mp-15547,Na2ZnGaF7,-4.7540928598,-2.907434406,0.0,-0.0048991907,GGA,C2/c,A7BC2D_mC176_15_14f_cef_abde2f_2f:F-Ga-Na-Zn,88.0,"Invalid WP multiplicities - A7BC2D_mC176_15_17f_aef_bcde2f_2f:F-Ga-Na-Zn, expected Na4Zn2Ga2F17 to be Na2ZnGaF7" +mp-9740,BaDy2PdO5,-7.6253910239,-3.0647383587,0.0119750814,0.0119750814,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Dy-O-Pd,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-Dy-O-Pd +mp-675310,Na3(VSe2)5,-5.7698061217,-1.0839049546,0.0,-0.0019492854,GGA,P1,A3B10C5_aP18_1_3a_10a_5a:Na-Se-V,18.0,A3B10C5_aP18_1_3a_10a_5a:Na-Se-V +mp-1345071,Na3(VSe2)5,-1.6404028139,3.0454983532,4.1294033078,4.1274540223,GGA,P1,A3B10C5_aP18_1_3a_10a_5a:Na-Se-V,18.0,A3B10C5_aP18_1_3a_10a_5a:Na-Se-V +mp-1180113,NaVCu3Se4,-4.7791534911,-0.7027426818,0.0714654108,0.0714654108,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Na-Se-V +mp-1221454,Na(VSe2)2,-5.8608058671,-1.0788082466,0.0,-0.005988919,GGA,Pm,AB4C2_mP7_6_a_2a2b_ab:Na-Se-V,7.0,AB4C2_mP7_6_a_2a2b_ab:Na-Se-V +mp-1221410,Na(VSe2)2,-5.7865422543000005,-1.0045446337,0.0742636129,0.0682746938,GGA,R3m,AB4C2_hR21_160_a_4a_2a:Na-Se-V,7.0,AB4C2_hR21_160_a_4a_2a:Na-Se-V +mp-3567,NaVSe2,-5.4417686825,-1.0922051028,0.0015639805,0.0015639805,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-Se-V,4.0,AB2C_hR12_166_a_c_b:Na-Se-V +mp-1209937,NdLuO3,-8.75673631,-3.9309034927,0.0226727264,0.0226727264,GGA,Pnma,ABC3_oP20_62_a_c_cd:Lu-Nd-O,20.0,ABC3_oP20_62_a_c_cd:Lu-Nd-O +mp-1210727,Nd3Lu2(GaO4)3,-7.9684968705,-3.3789520735,0.0,-0.0316814566,GGA,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:Ga-Lu-Nd-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:Ga-Lu-Nd-O +mp-30061,Sn4BRh6,-6.5703373686,-0.488198604,0.0,-0.0675207931,GGA,P6_3/mmc,AB6C4_hP22_194_a_k_bcf:B-Rh-Sn,22.0,AB6C4_hP22_194_a_k_bcf:B-Rh-Sn +mp-1093794,ZnSnRh2,-3.0185044575,1.9809783438,2.46724208,2.4046140419,GGA,Immm,A2BC_oI8_71_e_a_b:Rh-Sn-Zn,4.0,A2BC_oI8_71_e_a_b:Rh-Sn-Zn +mp-1187939,ZnSnRh2,-5.4857465375,-0.4862637362,0.0,-0.0626280381,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Sn-Zn +mp-30060,Sn5(BRh3)2,-6.4203602985,-0.4517072187,0.0,-0.0144354872,GGA,P-62m,A2B6C5_hP13_189_ab_i_cg:B-Rh-Sn,13.0,A2B6C5_hP13_189_ab_i_cg:B-Rh-Sn +mp-1207643,Zn10Sn(B4Rh9)2,-5.8924804124,-0.4168132832,0.0133865591,0.0133865591,GGA,P4/mbm,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Sn-Zn,74.0,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Sn-Zn +mp-1111088,Na2AlAuF6,-4.812761924,-2.6994237018,0.2806851863,0.2806851863,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-Na +mp-1105220,CaCu3(IrO3)4,-6.761134166,-1.3102731087,0.071313041,0.071313041,GGA,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ir-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ir-O +mp-505151,Ca3CuIrO6,-6.7217499495,-2.3004251534,0.0358802811,0.0358802811,GGA,C2/c,A3BCD6_mC44_15_ef_e_c_3f:Ca-Cu-Ir-O,22.0,A3BCD6_mC44_15_ef_e_c_3f:Ca-Cu-Ir-O +mp-1345598,Ca5Cu2(IrO6)2,-6.674975469,-2.1386161531,0.0650650049,0.0650650049,GGA,P1,A5B2C2D12_aP21_1_5a_2a_2a_12a:Ca-Cu-Ir-O,21.0,A5B2C2D12_aP21_1_5a_2a_2a_12a:Ca-Cu-Ir-O +mp-1374245,Ca2CuIrO6,-6.581769266,-1.9188719783,0.1010782085,0.0659453719,GGA,C2,A2BCD6_mC40_5_abc_ab_c_6c:Ca-Cu-Ir-O,20.0,A2BCD6_mC40_5_abc_ab_c_6c:Ca-Cu-Ir-O +mp-1375998,Ca2CuIrO6,-6.6828474745,-2.0199501867,0.0,-0.0351328366,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Cu-Ir-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_10e:Ca-Cu-Ir-O, expected Ca2CuIrO20 to be Ca2CuIrO6" +mp-1079403,Sr2CoOsO6,-7.384025093,-2.2445446531,0.0,-0.0264636882,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Co-O-Os-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Co-O-Os-Sr +mp-6168,K3Nb2CuSe12,-4.8870450868,-1.0212700133,0.0,-0.0206769175,GGA,P2_1/c,AB3C2D12_mP72_14_e_3e_2e_12e:Cu-K-Nb-Se,72.0,"Invalid WP multiplicities - AB3C2D12_mP72_14_e_3e_3e_17e:Cu-K-Nb-Se, expected K3Nb3CuSe17 to be K3Nb2CuSe12" +mp-1212810,K2NbCuSe2,-4.1744304879,-0.272241728,0.7015870992000001,0.7015870992000001,GGA,Fddd,AB2CD2_oF96_70_c_h_d_h:Cu-K-Nb-Se,24.0,AB2CD2_oF96_70_c_h_d_h:Cu-K-Nb-Se +mp-6599,KNb(CuSe2)2,-5.1417053975,-0.9674849928,0.0,-0.0005782369,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Cu-K-Nb-Se,16.0,"Invalid WP multiplicities - A2BCD4_oC32_40_ab_b_b_4b2c:Cu-K-Nb-Se, expected KNb(CuSe4)2 to be KNb(CuSe2)2" +mp-1202743,K3Nb2Cu3Se8,-5.0622364166,-1.0748164945,0.0,-0.0037666278,GGA,C2/c,A3B3C2D8_mC64_15_ef_af_f_4f:Cu-K-Nb-Se,32.0,A3B3C2D8_mC64_15_ef_cf_f_4f:Cu-K-Nb-Se +mp-9003,K2NbCuSe4,-4.97523418,-1.1746147407,0.0,-0.0061672455,GGA,Fddd,AB2CD4_oF64_70_a_e_b_h:Cu-K-Nb-Se,16.0,AB2CD4_oF64_70_a_e_b_h:Cu-K-Nb-Se +mp-1079577,Ni(ClO3)2,-3.7044641667,0.6463516408000001,1.2289556952,1.2289556952,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Ni-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Ni-O +mp-1084850,Ni(ClO3)2,-4.2233952467,0.1274205608,0.7100246152,0.7100246152,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Ni-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Ni-O +mp-1180080,Ni(ClO3)2,-4.14061858,0.2101972275,0.7928012819,0.7928012819,GGA+U,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Ni-O,9.0,A2BC6_mC18_12_i_a_ij:Cl-Ni-O +mp-1180162,Ni(ClO3)2,-3.7748165594,0.5759992481,1.1586033024,1.1586033024,GGA+U,P2_1/c,A2BC6_mP18_14_e_a_3e:Cl-Ni-O,18.0,A2BC6_mP18_14_e_a_3e:Cl-Ni-O +mp-1188562,SnCl4O5,-3.5011098545,0.1126063506,0.9978876298,0.9978876298,GGA,C2/c,A4B5C_mC40_15_2f_e2f_e:Cl-O-Sn,20.0,A4B5C_mC40_15_2f_e2f_e:Cl-O-Sn +mp-1079447,Ni(ClO)2,-4.240986674,-0.3668691895,0.3973507111,0.3973507111,GGA+U,C2/m,A2BC2_mC20_12_2i_g_j:Cl-Ni-O,10.0,A2BC2_mC20_12_2i_g_j:Cl-Ni-O +mp-1079563,Ni(ClO)2,-3.834993672,0.0391238125,0.8033437131000001,0.8033437131000001,GGA+U,C2/m,A2BC2_mC20_12_2i_e_j:Cl-Ni-O,10.0,A2BC2_mC20_12_2i_e_j:Cl-Ni-O +mp-1190465,Ni2ClO3,-5.4272618658,-0.7191158402000001,0.2383018624,0.2383018624,GGA+U,Pnma,AB2C3_oP24_62_c_ac_cd:Cl-Ni-O,24.0,AB2C3_oP24_62_c_ac_cd:Cl-Ni-O +mp-1179519,Sn2Cl4O3,-4.1749061953,-0.8134221415,0.7203942946,0.7203942946,GGA,P2_1/c,A4B3C2_mP36_14_4e_3e_2e:Cl-O-Sn,36.0,A4B3C2_mP36_14_4e_3e_2e:Cl-O-Sn +mp-1180055,NiSn(ClO)6,-4.0582431586,-0.4467388184,0.4375061776,0.4375061776,GGA+U,P-1,A6BC6D_aP14_2_3i_a_3i_d:Cl-Ni-O-Sn,14.0,"Invalid WP multiplicities - A6BC6D_aP14_2_6i_a_6i_d:Cl-Ni-O-Sn, expected NiSn(ClO)12 to be NiSn(ClO)6" +mp-1104318,NiSn(ClO)6,-3.4557875464,0.1557167938,1.0399617898,1.0399617898,GGA+U,R-3,A6BC6D_hR42_148_f_a_f_b:Cl-Ni-O-Sn,14.0,A6BC6D_hR42_148_f_a_f_b:Cl-Ni-O-Sn +mp-1210045,Ni(ClO6)2,-4.2711728563,0.3179921127,0.7149657782000001,0.7149657782000001,GGA+U,Pa-3,A2BC12_cP60_205_c_a_2d:Cl-Ni-O,60.0,A2BC12_cP60_205_c_a_2d:Cl-Ni-O +mp-741677,SnCl8O25,-4.5420687369,-0.3519192393,0.145461938,0.145461938,GGA,P3,A8B25C_hP102_143_8d_25d_abc:Cl-O-Sn,102.0,A8B25C_hP102_143_8d_25d_abc:Cl-O-Sn +mp-726421,Sn(ClO)2,-4.161146104,-0.6411415845,0.7736295947,0.7736295947,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn,20.0,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn +mp-1188358,Sn(ClO)2,-4.1585360295000005,-0.63853151,0.7762396692,0.7762396692,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn,20.0,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn +mp-1190009,Sn(ClO)2,-4.1367587595,-0.61675424,0.7980169392,0.7980169392,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn,20.0,A2B2C_mP20_14_2e_2e_e:Cl-O-Sn +mp-731882,SnCl3O4,-3.9104510791,-0.2427089941,0.7741680406,0.7741680406,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:Cl-O-Sn,32.0,A3B4C_mP32_14_3e_4e_e:Cl-O-Sn +mp-1197571,SnCl3O4,-3.9382019834,-0.2704598984,0.7464171362,0.7464171362,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:Cl-O-Sn,32.0,A3B4C_mP32_14_3e_4e_e:Cl-O-Sn +mp-1180134,Ni(ClO2)2,-3.9910688457,0.1894975607,0.8369644173,0.8369644173,GGA+U,P1,A2BC4_aP21_1_6a_3a_12a:Cl-Ni-O,21.0,A2BC4_aP21_1_6a_3a_12a:Cl-Ni-O +mp-1192710,Ni(ClO2)2,-3.7227512414,0.457815165,1.1052820216,1.1052820216,GGA+U,P2_1/c,A2BC4_mP28_14_2e_e_4e:Cl-Ni-O,28.0,A2BC4_mP28_14_2e_e_4e:Cl-Ni-O +mp-28138,Ni(ClO4)2,-5.0004840611,-0.5413277257,0.0,-0.0710822961,GGA+U,R-3,A2BC8_hR33_148_c_a_cf:Cl-Ni-O,44.0,A2BC8_hR33_148_c_a_cf:Cl-Ni-O +mp-1211345,NiSn3(ClO)6,-4.6044504456,-0.9431876661,0.5322544691000001,0.5322544691000001,GGA+U,P-1,A6BC6D3_aP16_2_3i_a_3i_bcd:Cl-Ni-O-Sn,16.0,A6BC6D3_aP16_2_3i_a_3i_bcd:Cl-Ni-O-Sn +mp-1236966,NiSn3(ClO)6,-3.8984226137,-0.2371598342,1.238282301,1.238282301,GGA+U,P-1,A6BC6D3_aP16_2_3i_a_3i_bcd:Cl-Ni-O-Sn,16.0,A6BC6D3_aP16_2_3i_a_3i_bcd:Cl-Ni-O-Sn +mp-1247529,Na3TiN2,-5.1381218765,-0.382112252,0.3327959423,0.3327959423,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Ti,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Ti +mp-29392,Na2TiCl4,-4.5054640379,-1.9433655745,0.0541064704,0.0541064704,GGA,Pbam,A4B2C_oP14_55_gh_g_b:Cl-Na-Ti,14.0,"Invalid WP multiplicities - A4B2C_oP14_55_2gh_g_b:Cl-Na-Ti, expected Na2TiCl6 to be Na2TiCl4" +mp-29850,Na3TiCl6,-4.3609737865,-2.0655450008,0.0287897865,0.0287897865,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Cl-Na-Ti,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_6e_a2e_b:Cl-Na-Ti, expected Na5TiCl12 to be Na3TiCl6" +mp-1247552,Na2TiN2,-6.15433575,-0.7116292593,0.1462605738,0.1462605738,GGA,P-3m1,A2B2C_hP5_164_d_d_a:N-Na-Ti,5.0,A2B2C_hP5_164_d_d_a:N-Na-Ti +mp-569978,Na2Ti3Cl8,-5.08890846,-1.9258453895,0.0026146349,0.0026146349,GGA,R3m,A8B2C3_hR39_160_2a2b_2a_b:Cl-Na-Ti,13.0,"Invalid WP multiplicities - A8B2C3_hR39_160_2a5b_2a_b:Cl-Na-Ti, expected Na2Ti3Cl17 to be Na2Ti3Cl8" +mp-29474,Na2Ti3Cl8,-5.0406900915,-1.877627021,0.0508330033,0.0508330033,GGA,R-3m,A8B2C3_hR39_166_ch_c_d:Cl-Na-Ti,13.0,A8B2C3_hR39_166_ch_c_d:Cl-Na-Ti +mp-1220939,NaTi5(NCl)5,-7.6032381394,-1.870416683,0.0252089781,0.0252089781,GGA,P-1,A5B5CD5_aP32_2_5i_5i_i_5i:Cl-N-Na-Ti,32.0,"Invalid WP multiplicities - A5B5CD5_aP32_2_10i_10i_i_10i:Cl-N-Na-Ti, expected NaTi10(NCl)10 to be NaTi5(NCl)5" +mp-556894,Rb2SbAuS4,-4.1408661134,-0.9021472569,0.0,-0.0038454083,GGA,Pbcm,AB2C4D_oP32_57_c_2d_2de_d:Au-Rb-S-Sb,32.0,"Invalid WP multiplicities - AB2C4D_oP32_57_c_6d_8d5e_d:Au-Rb-S-Sb, expected Rb6SbAuS18 to be Rb2SbAuS4" +mp-558739,RbSb2Au3S5,-4.2208705752,-0.6079222219,0.0,-0.0235628073,GGA,Pnnm,A3BC5D2_oP88_58_2g2h_2g_6g2h_4g:Au-Rb-S-Sb,88.0,"Invalid WP multiplicities - A3BC5D2_oP88_58_8g12h_5g_22g12h_13g:Au-Rb-S-Sb, expected Rb5Sb13(Au16S23)2 to be RbSb2Au3S5" +mp-867813,LiLa2Os,-5.807685265,-0.0556091383,0.0457407775,0.0457407775,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Li-Os,4.0,A2BC_cF16_225_c_a_b:La-Li-Os +mp-12451,LiLa2OsO6,-8.1466873245,-2.8778436471,0.0,-0.0300828469,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Li-O-Os,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_4e_b:La-Li-O-Os, expected LiLa2OsO8 to be LiLa2OsO6" +mp-9066,NaLi2AsO4,-5.9020549375,-2.2037744029,0.0,-0.0052645515,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:As-Li-Na-O,16.0,"Invalid WP multiplicities - AB2CD4_oP16_31_a_b_a_4ab:As-Li-Na-O, expected NaLi2AsO6 to be NaLi2AsO4" +mp-559594,LaGaSe2O,-6.1546474285,-2.1741244697,0.005925813,0.005925813,GGA,Pca2_1,ABCD2_oP20_29_a_a_a_2a:Ga-La-O-Se,20.0,"Invalid WP multiplicities - ABCD2_oP20_29_a_a_a_5a:Ga-La-O-Se, expected LaGaSe5O to be LaGaSe2O" +mp-1260235,Zn3Si4(BiO7)2,-6.8575655498,-2.4047341077,0.1615727742,0.1615727742,GGA,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Bi-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Bi-O-Si-Zn, expected Zn3Si5BiO27 to be Zn3Si4(BiO7)2" +mp-1157822,Zn3Si3(BiO6)2,-6.5235561349,-2.1687347491,0.2923133517,0.2923133517,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Bi-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Bi-O-Si-Zn +mp-1226165,Cr12Ga2(CoS8)3,-6.8384655212,-0.9240140121,0.0320160446,0.0320160446,GGA,I-4m2,A3B12C2D24_tI82_119_af_3i_e_6i:Co-Cr-Ga-S,41.0,"Invalid WP multiplicities - A3B12C2D24_tI82_119_af_11i_e_23i:Co-Cr-Ga-S, expected Cr44Ga2Co3S92 to be Cr12Ga2(CoS8)3" +mp-1213653,CuC6,-7.1637078086,1.3321778521,1.3321778521,1.3321778521,GGA,Cmmm,A6B_oC14_65_kp_a:C-Cu,7.0,A6B_oC14_65_kp_a:C-Cu +mp-1218082,Ta6Cr3Cu3C2,-9.5387322925,-0.1915352079,0.1010458909,0.1010458909,GGA,Imm2,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Cu-Ta,28.0,A2B3C3D6_oI56_44_cd_2cd_c2d_2a2b2e:C-Cr-Cu-Ta +mp-1205758,Ba2EuMoO6,-8.334601782,-2.8725283762,0.0,-0.0715192165,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Eu-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Eu-Mo-O +mp-1200431,BaTbMn2O6,-8.1310019508,-2.6752515616,0.08232928,0.08232928,GGA+U,P-1,AB2C6D_aP40_2_2i_4i_12i_2i:Ba-Mn-O-Tb,40.0,AB2C6D_aP40_2_2i_4i_12i_2i:Ba-Mn-O-Tb +mp-559528,BaTbMn2O6,-8.141794757,-2.6860443678,0.0715364738,0.0715364738,GGA+U,Pmma,AB2C6D_oP20_51_e_k_efgh_f:Ba-Mn-O-Tb,20.0,AB2C6D_oP20_51_e_k_efgh_f:Ba-Mn-O-Tb +mp-558858,BaTbMn2O6,-8.1500569715,-2.6943065823,0.0632742593,0.0632742593,GGA+U,Cmmm,AB2C6D_oC40_65_g_n_ijklm_h:Ba-Mn-O-Tb,20.0,"Invalid WP multiplicities - AB2C6D_oC40_65_g_n_2i2j2k2l4m_h:Ba-Mn-O-Tb, expected BaTbMn2O16 to be BaTbMn2O6" +mp-867514,BaTbMn2O5,-8.30466618,-2.7923533822,0.0025877594,-0.0051343144,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Tb,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Tb +mp-1106241,BaTbMn2O5,-8.3072539394,-2.7949411416,0.0,-0.0077220739,GGA+U,P4/nmm,AB2C5D_tP18_129_a_2c_cj_b:Ba-Mn-O-Tb,18.0,AB2C5D_tP18_129_a_2c_cj_b:Ba-Mn-O-Tb +mp-867516,Ba2Tb2Mn4O11,-8.2586756942,-2.7761325852,0.0014172337,0.0014172337,GGA+U,Ibam,A2B4C11D2_oI76_72_j_2f_af2jk_j:Ba-Mn-O-Tb,38.0,A2B4C11D2_oI76_72_j_2f_af2jk_j:Ba-Mn-O-Tb +mp-554136,BaTb2Mn2O7,-8.3601478,-3.0152679081,0.0136972524,0.0136972524,GGA+U,C2/m,AB2C7D2_mC48_12_i_j_2g2hij_j:Ba-Mn-O-Tb,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_12_i_j_2g4h2i3j_j:Ba-Mn-O-Tb, expected BaTb2Mn2O14 to be BaTb2Mn2O7" +mp-1227393,BaTb2Mn2O7,-8.3256104233,-2.9807305314,0.0482346291,0.0482346291,GGA+U,I4/mmm,AB2C7D2_tI24_139_a_e_beg_e:Ba-Mn-O-Tb,12.0,AB2C7D2_tI24_139_a_e_beg_e:Ba-Mn-O-Tb +mp-1246882,Mg2Cr3InS8,-6.0146174007,-1.1572613168,0.0213176092,0.0213176092,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-In-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-In-Mg-S, expected Mg2Cr3InS16 to be Mg2Cr3InS8" +mp-1247083,MgCrInS4,-5.4871434821000005,-1.1227419511,0.0289413141,0.0289413141,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-In-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-In-Mg-S, expected MgCrInS12 to be MgCrInS4" +mp-1247082,Mg2CrIn3S8,-4.97215108,-1.1007041018,0.0240835026,0.0240835026,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-In-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-In-Mg-S, expected Mg2CrIn3S22 to be Mg2CrIn3S8" +mp-1215750,Zr3Fe8Si,-8.4790143575,-0.2432985575,0.0886875635,0.0886875635,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Fe-Si-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Fe-Si-Zr, expected Zr3Fe20Si to be Zr3Fe8Si" +mp-1102452,ZrFeSi,-8.2128142858,-0.7318009958,0.0,-0.0375453699,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Si-Zr,12.0,ABC_oP12_62_c_c_c:Fe-Si-Zr +mp-16336,Zr2Fe3Si,-8.5095266933,-0.5210628733,0.0,-0.0148206638,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Si-Zr,12.0,A3BC2_hP12_194_h_a_f:Fe-Si-Zr +mp-1199521,ZrFeSi2,-7.636154786,-0.669065311,0.0184533383,0.0184533383,GGA,Cmce,AB2C_oC96_64_cef_de4f_3f:Fe-Si-Zr,48.0,AB2C_oC96_64_cef_de4f_3f:Fe-Si-Zr +mp-19792,Zr(Fe2Si)2,-8.0917502936,-0.4805472179,0.0068353061,0.0068353061,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Si-Zr,14.0,A4B2C_tP14_136_i_f_a:Fe-Si-Zr +mp-653838,ZrFe12Si2B,-8.005633133,-0.0232591967,0.2566609649,0.2566609649,GGA,I-43m,AB12C2D_cI128_217_c_de3g_2c_ab:B-Fe-Si-Zr,64.0,"Invalid WP multiplicities - AB12C2D_cI128_217_c_5d5e27g_5c_a2b:B-Fe-Si-Zr, expected Zr7Fe384(Si5B)4 to be ZrFe12Si2B" +mp-569247,Zr(FeSi)2,-7.894021026,-0.626345204,0.00312714,0.00312714,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Zr,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Zr +mp-1105799,Zr3Fe2Si3,-8.1188757619,-0.7614884619000001,0.0121267681,0.0121267681,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Zr,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Zr +mp-1192960,Zr6Fe16Si7,-8.2772361883,-0.5260717279,0.0,-0.029909914,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Fe-Si-Zr,29.0,A16B7C6_cF116_225_2f_ad_e:Fe-Si-Zr +mp-17435,Zr4Fe4Si7,-7.7831281487,-0.7132539107,0.0,-0.016878792,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Fe-Si-Zr,30.0,"Invalid WP multiplicities - A4B7C4_tI60_139_k_e2hi3j_hi:Fe-Si-Zr, expected Zr4Fe4Si13 to be Zr4Fe4Si7" +mp-1215254,ZrFe4Si,-8.1486180733,-0.1731008233,0.2101879952,0.2101879952,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Si-Zr,6.0,A4BC_cF24_216_e_a_c:Fe-Si-Zr +mp-2218497,Gd2MgCr2O8,-9.5510548454,-2.7331987562,0.2281408955,0.2281408955,GGA+U,P1,A2B2CD8_aP13_1_2a_2a_a_8a:Cr-Gd-Mg-O,13.0,A2B2CD8_aP13_1_2a_2a_a_8a:Cr-Gd-Mg-O +mp-1225296,GdTiFe11C,-8.9552656236,-0.0716575479,0.06057379,0.06057379,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Gd-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Gd-Ti +mp-1217927,TaTiFeO6,-9.358597335,-2.9248836545,0.0229984211,0.0229984211,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Fe-O-Ta-Ti,36.0,AB6CD_tP18_102_a_3c_a_a:Fe-O-Ta-Ti +mp-979751,TaTiFe2,-9.460697335,-0.2873693183,0.0184640704,0.0184640704,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ta-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Ta-Ti +mp-1217934,TaTiFe4,-9.1680120883,-0.2291196739,0.0105667383,0.0105667383,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Ta-Ti,12.0,A4BC_hP12_164_abi_d_d:Fe-Ta-Ti +mp-8479,Tl4SiS4,-4.2505429172,-0.759244019,0.0,-0.0228439864,GGA,Cc,A4BC4_mC36_9_4a_a_4a:S-Si-Tl,18.0,"Invalid WP multiplicities - A4BC4_mC36_9_6a_a_4a:S-Si-Tl, expected Tl4SiS6 to be Tl4SiS4" +mp-8190,Tl2SiS3,-4.6089332192,-0.8489408985,0.0,-0.0266815183,GGA,P-1,A3BC2_aP12_2_3i_i_2i:S-Si-Tl,12.0,A3BC2_aP12_2_3i_i_2i:S-Si-Tl +mp-556744,TlInSiS4,-4.7654423766,-0.8960931803000001,0.0,-0.017311264,GGA,Pnma,AB4CD_oP56_62_d_4c2d_2c_2c:In-S-Si-Tl,56.0,"Invalid WP multiplicities - AB4CD_oP56_62_d_13c12d_6c_6c:In-S-Si-Tl, expected Tl6In2Si6S37 to be TlInSiS4" +mp-1213167,Dy2OsC2,-8.1632338765,-0.3835794575,0.0,-0.0445357195,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Dy-Os,20.0,A2B2C_oP20_62_2c_2c_c:C-Dy-Os +mp-12088,Dy(SiOs)2,-8.307408966,-0.724977414,0.0,-0.248156984,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Os-Si +mp-1205579,DySiOs2C,-8.855118165,-0.5120171205,0.0,-0.0536335491,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Dy-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Dy-Os-Si +mp-1213247,Dy12(OsC3)5,-8.1565854631,-0.3488272876,0.0,-0.002990993,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Os,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Os +mp-557359,Cs2Al2Sb2O7,-6.5288073108,-2.5159780905,0.0,-0.0544164019,GGA,P-3m1,A2B2C7D2_hP13_164_c_d_ai_d:Al-Cs-O-Sb,13.0,"Invalid WP multiplicities - A2B2C7D2_hP13_164_c_d_a2i_d:Al-Cs-O-Sb, expected Cs2Al2Sb2O13 to be Cs2Al2Sb2O7" +mp-16577,Li2CaHfF8,-6.4740669675,-3.8846947689,0.0,-0.0536636256,GGA,I-4,AB8CD2_tI24_82_a_2g_c_bd:Ca-F-Hf-Li,12.0,"Invalid WP multiplicities - AB8CD2_tI24_82_a_4g_c_bd:Ca-F-Hf-Li, expected Li2CaHfF16 to be Li2CaHfF8" +mp-1113269,Cs2NdAgI6,-3.320103828,-1.4969332,0.0057147653,0.0057147653,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Nd,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Nd +mp-1080438,SrAgTeF,-4.5582864238,-2.1640778444,0.0,-0.0123986925,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Ag-F-Sr-Te,8.0,ABCD_tP8_129_a_b_c_c:Ag-F-Sr-Te +mp-1110915,K2NdAgCl6,-4.206372786,-2.115100657,0.0711916518,0.0711916518,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Nd +mp-1112101,K2AgAuBr6,-2.959997312,-1.1954567243,0.0482511387,0.0482511387,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-Br-K +mp-1110976,Cs2LiBiF6,-4.832720519,-2.9318114644,0.005219256,0.005219256,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Li,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Li +mp-1111965,Cs2RbIrF6,-4.84539823,-2.5375335498,0.0018074615,0.0018074615,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ir-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ir-Rb +mp-1111394,CsRb2IrF6,-4.786444962,-2.4700671118,0.0706571677,0.0706571677,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ir-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ir-Rb +mp-22574,HgP14Pb,-4.9998828889,-0.0122227309,0.0,-0.0102868663,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Hg-P-Pb,64.0,"Invalid WP multiplicities - AB14C_oP64_62_c_4c9d_c:Hg-P-Pb, expected HgP22Pb to be HgP14Pb" +mp-1200201,Hg6P4PbCl6,-2.9409695578,-0.6892543080000001,0.0,-0.0136518395,GGA,P2_13,A6B6C4D_cP68_198_2b_2b_4a_a:Cl-Hg-P-Pb,68.0,A6B6C4D_cP68_198_2b_2b_4a_a:Cl-Hg-P-Pb +mp-1110590,Rb2InAuF6,-4.384245982,-2.438695214,0.13250282,0.13250282,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-In-Rb +mp-1204602,InAs2PbO8,-6.2791600442,-1.6661536025,0.0524305821,0.0524305821,GGA,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:As-In-O-Pb,48.0,A2BC8D_mP48_14_2e_e_8e_e:As-In-O-Pb +mp-1110659,Rb2CuSbF6,-4.646086218,-2.480271232,0.1134114514,0.1134114514,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Sb +mp-1114173,Rb2NaTlI6,-2.609747625,-1.1611041565,0.1041386765,0.1041386765,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Tl +mp-1111981,K2GaHgCl6,-3.272085414,-1.6077059898,0.1504814047,0.1504814047,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-Hg-K +mp-1097120,LiSiAg2,-1.7239645975,1.5258736283,1.655297545,1.655297545,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Li-Si,4.0,A2BC_oI8_71_e_a_b:Ag-Li-Si +mp-1222291,LiSiAg2,-3.28428427,-0.0344460442,0.0949778725,0.0949778725,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Ag-Li-Si,4.0,A2BC_tP4_123_e_a_c:Ag-Li-Si +mp-1211042,LiSiAg2,-3.2326174025,0.0172208233,0.14664474,0.14664474,GGA,F-43m,A2BC_cF16_216_ac_b_d:Ag-Li-Si,4.0,A2BC_cF16_216_ac_b_d:Ag-Li-Si +mp-1185425,LiSiAg2,-3.3479406575,-0.0981024317,0.031321485,0.031321485,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Si,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Si +mp-1235411,LiSi2(AgO)8,-5.2368565337,-1.2898293419,0.1191265915,0.1191265915,GGA,P1,A8BC8D2_aP19_1_8a_a_8a_2a:Ag-Li-O-Si,19.0,A8BC8D2_aP19_1_8a_a_8a_2a:Ag-Li-O-Si +mp-1235249,LiSi2(AgO)8,-5.2145094468,-1.2674822551,0.1414736783,0.1414736783,GGA,P2,A8BC8D2_mP19_3_4e_a_4e_bc:Ag-Li-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_mP19_3_6e_b_8e_ac:Ag-Li-O-Si, expected LiSi2(Ag3O4)4 to be LiSi2(AgO)8" +mp-1235565,LiSi2(AgO)8,-5.2468399911,-1.2998127993,0.1091431341,0.1091431341,GGA,P-4,A8BC8D2_tP19_81_2h_a_2h_bc:Ag-Li-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_tP19_81_3h_a_6h_bc:Ag-Li-O-Si, expected LiSi2(AgO2)12 to be LiSi2(AgO)8" +mp-29165,Li3Si3Ag2,-3.4964806856,-0.0380013485,0.1164627401,0.1164627401,GGA,P4_2/nnm,A2B3C3_tP16_134_e_af_bc:Ag-Li-Si,16.0,A2B3C3_tP16_134_e_af_bc:Ag-Li-Si +mp-6739,Ba2CaOsO6,-7.35728128,-2.6821763342,0.0,-0.0855781699,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Os +mp-676597,BaVSe3,-5.792741587,-1.4946184984,0.022669553,0.022669553,GGA,Cmc2_1,AB3C_oC20_36_a_ab_a:Ba-Se-V,10.0,"Invalid WP multiplicities - AB3C_oC20_36_a_2a2b_a:Ba-Se-V, expected BaVSe6 to be BaVSe3" +mp-27363,BaVSe3,-5.777679637,-1.4795565484,0.037731503,0.037731503,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-Se-V,10.0,AB3C_hP10_194_c_h_a:Ba-Se-V +mp-1210878,LiTaN2,-8.54326664,-0.9333440533,0.2545538505,0.2545538505,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Li-N-Ta,8.0,AB2C_hP8_194_a_f_c:Li-N-Ta +mp-14753,Li7TaN4,-5.8072003583,-0.9266822419,0.0,-0.0781040563,GGA,Pa-3,A7B4C_cP96_205_c2d_cd_c:Li-N-Ta,96.0,"Invalid WP multiplicities - A7B4C_cP96_205_c5d_cd_c:Li-N-Ta, expected Li16TaN4 to be Li7TaN4" +mp-28523,Li2Ta3N5,-9.402522168,-1.2951568432,0.0,-0.0508937248,GGA,C2/m,A2B5C3_mC40_12_2i_5i_3i:Li-N-Ta,20.0,"Invalid WP multiplicities - A2B5C3_mC40_12_3i_6i_3i:Li-N-Ta, expected LiTaN2 to be Li2Ta3N5" +mp-676215,Li9Ta11N20,-8.3914397703,-0.5327958145,0.7087315590000001,0.7087315590000001,GGA,R-3m,A9B20C11_hR120_166_a4c_10c_b5c:Li-N-Ta,40.0,"Invalid WP multiplicities - A9B20C11_hR120_166_a6c_18c_b10c:Li-N-Ta, expected Li13(Ta7N12)3 to be Li9Ta11N20" +mp-39020,LiTa3N4,-10.2271396429,-1.3736102108,0.0,-0.0540552433,GGA,Pnn2,AB4C3_oP48_34_2ab_6c_a2b3c:Li-N-Ta,48.0,"Invalid WP multiplicities - AB4C3_oP48_34_2a4b_23c_4a2b11c:Li-N-Ta, expected Li3Ta14N23 to be LiTa3N4" +mp-685440,Li11Ta37N48,-10.2801069318,-1.3229435959,0.0489142816,0.0489142816,GGA,P3,A11B48C37_hP96_143_2a2b7c_16d_6a6bc8d:Li-N-Ta,96.0,"Invalid WP multiplicities - A11B48C37_hP96_143_2a2b7c_48d_6a6bc24d:Li-N-Ta, expected Li11Ta85N144 to be Li11Ta37N48" +mp-1245553,Li3TaN2,-6.3928746913,-0.6832853446,0.2591176287,0.2591176287,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Ta,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Ta +mp-30129,Li4TaN3,-6.6073402544,-1.0444710204,0.0,-0.0545842575,GGA,Ibca,A4B3C_oI64_73_cdf_ef_c:Li-N-Ta,32.0,A4B3C_oI64_73_cdf_ef_c:Li-N-Ta +mp-573677,Ba2Li3TaN4,-6.4652205325,-0.9883729515,0.0,-0.000113656,GGA,C2/c,A2B3C4D_mC40_15_f_ef_2f_e:Ba-Li-N-Ta,20.0,"Invalid WP multiplicities - A2B3C4D_mC40_15_f_ef_5f_e:Ba-Li-N-Ta, expected Ba2Li3TaN10 to be Ba2Li3TaN4" +mp-550111,SmBi2BrO4,-6.6245035388,-2.4070850925,0.0,-0.0676038987,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Sm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Sm +mp-1205875,Ba2InReO6,-7.363354002,-2.4919246957,0.0347021468,0.0347021468,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Re +mp-6105,Pr2Ta3(SeO4)2,-9.2720353572,-3.1586702208,0.0,-0.0115960912,GGA,Pnnm,A8B2C2D3_oP60_58_2g3h_2g_2g_eh:O-Pr-Se-Ta,60.0,"Invalid WP multiplicities - A8B2C2D3_oP60_58_2g6h_4g_2g_e2h:O-Pr-Se-Ta, expected Pr4Ta5(SeO7)2 to be Pr2Ta3(SeO4)2" +mp-7692,Al(CrB)2,-7.74785304,-0.4657621777,0.0,-0.0369268893,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Al-B-Cr,5.0,AB2C2_oC10_65_a_g_h:Al-B-Cr +mp-1206931,Cr(BMo)2,-9.383285483,-0.4426592367,0.0,-0.0283990122,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Cr-Mo,10.0,A2BC2_tP10_127_g_a_h:B-Cr-Mo +mp-1226227,CrB4Mo,-8.1469722917,-0.2775948478,0.1417657983,0.1417657983,GGA,Immm,A4BC_oI12_71_l_a_c:B-Cr-Mo,6.0,A4BC_oI12_71_l_a_c:B-Cr-Mo +mp-1226219,CrB4Mo,-8.193076885,-0.3236994411,0.095661205,0.095661205,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Cr-Mo,6.0,A4BC_hP6_191_h_a_b:B-Cr-Mo +mp-1228929,Al2CrB2Mo,-7.2842000017,-0.3927612047,0.0389368658,0.0389368658,GGA,Amm2,A2B2CD_oC12_38_ab_ab_a_b:Al-B-Cr-Mo,6.0,A2B2CD_oC12_38_ab_ab_a_b:Al-B-Cr-Mo +mp-1226228,CrB2Mo,-8.9393319025,-0.4749616221,0.0408887156,0.0408887156,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Cr-Mo,4.0,A2BC_oC8_38_ab_a_b:B-Cr-Mo +mp-7574,AlBMo,-7.540937285,-0.4507313814,0.0,-0.0411065922,GGA,Cmcm,ABC_oC12_63_c_c_c:Al-B-Mo,6.0,ABC_oC12_63_c_c_c:Al-B-Mo +mp-637575,AlCr3B4,-7.8733902825,-0.4456046171,0.0,-0.0018781294,GGA,Pmmm,AB4C3_oP8_47_a_ik_dl:Al-B-Cr,8.0,"Invalid WP multiplicities - AB4C3_oP8_47_a_2i2k_dl:Al-B-Cr, expected AlCr3B8 to be AlCr3B4" +mp-1226327,Cr3B4Mo3,-9.116186289,-0.2948203067,0.1467778671,0.1467778671,GGA,Amm2,A4B3C3_oC20_38_2ad_be_bd:B-Cr-Mo,10.0,A4B3C3_oC20_38_2ad_be_bd:B-Cr-Mo +mp-628804,K2EuSiSe5,-5.2865866447,-1.3551782989,0.0,-0.0698086792,GGA,P2_1/c,AB2C5D_mP36_14_e_2e_5e_e:Eu-K-Se-Si,36.0,"Invalid WP multiplicities - AB2C5D_mP36_14_e_4e_19e_e:Eu-K-Se-Si, expected K4EuSiSe19 to be K2EuSiSe5" +mp-20445,BaYb2NiO5,-6.5154308517,-2.5696784365000003,0.0553128233,0.0553128233,GGA+U,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Ni-O-Yb,,"Invalid WP multiplicities - ABC5D2_oP36_62_c_c_c2d_4c:Ba-Ni-O-Yb, expected BaYb4NiO5 to be BaYb2NiO5" +mp-18752,BaYb2NiO5,-6.5553615844,-2.6096091693,0.0153820906,0.0153820906,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Yb,,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Yb +mp-541580,Ba5Yb8Ni4O21,-6.5292753745,-2.6105187798,0.0249613008,0.0249613008,GGA+U,I4/m,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Ni-O-Yb,,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Ni-O-Yb +mp-19249,YbNiO3,-6.4112703015,-1.9793080827,0.0,-0.038345781,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Yb,,AB3C_oP20_62_a_cd_c:Ni-O-Yb +mp-1187595,YbNiO3,-6.329997616,-1.8980353972,0.0812726855,0.0429269045,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Yb,,AB3C_cP5_221_b_c_a:Ni-O-Yb +mp-1225741,Er6Ag(GeS7)2,-5.9341084878,-1.6995335874,0.0426781367,0.0426781367,GGA,P3,AB6C2D14_hP23_143_c_2d_ab_ab4d:Ag-Er-Ge-S,23.0,AB6C2D14_hP23_143_c_2d_ab_ab4d:Ag-Er-Ge-S +mp-9343,ErAgGe,-4.41705974,-0.4092921839,0.2337344933,0.1591729778,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Er-Ge,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Ag-Er-Ge, expected Er3Ag5Ge3 to be ErAgGe" +mp-570026,ErAgGe,-4.6507942333,-0.6430266772000001,0.0,-0.0745615156,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Er-Ge,9.0,ABC_hP9_189_f_g_bc:Ag-Er-Ge +mp-568638,Y3CuSiSe7,-6.0369449463,-1.587335081,0.0,-0.0002502988,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Si-Y,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b9c_b_c:Cu-Se-Si-Y, expected Y3CuSiSe29 to be Y3CuSiSe7" +mp-1259975,Y8Cu3(SiSe7)3,-5.837453894,-1.4454686358,0.0583544594,0.0583544594,GGA,P2_1,A3B21C3D8_mP70_4_3a_21a_3a_8a:Cu-Se-Si-Y,70.0,A3B21C3D8_mP70_4_6a_42a_6a_16a:Cu-Se-Si-Y +mp-1265521,Y7Cu3(SiSe7)3,-5.6228192144,-1.2918482461,0.1169157565,0.1169157565,GGA,P1,A3B21C3D7_aP68_1_6a_42a_6a_14a:Cu-Se-Si-Y,68.0,A3B21C3D7_aP68_1_6a_42a_6a_14a:Cu-Se-Si-Y +mp-1203806,Ba2GaSbS5,-5.0815396058,-1.5618399973,0.0,-0.0266466164,GGA,Pnma,A2BC5D_oP36_62_d_c_3cd_c:Ba-Ga-S-Sb,36.0,A2BC5D_oP36_62_d_c_3cd_c:Ba-Ga-S-Sb +mp-1104273,Nd(Al2Fe)4,-5.6821322808,-0.4042215952,0.0,-0.0369805036,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Nd,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Nd +mp-1220621,Nd6Al3Fe11,-6.7741625787,-0.123370309,0.0073136473,0.0073136473,GGA,I4cm,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Nd,40.0,A3B11C6_tI80_108_ac_b3cd_2a2c:Al-Fe-Nd +mp-1209904,Nd(Al5Fe)2,-4.8987041696,-0.3476312348,0.0019814488,0.0019814488,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Nd,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Nd +mp-1210082,Nd6Al5Fe9,-6.3961543255,-0.2178065938,0.0,-0.0177365286,GGA,I4/mcm,A5B9C6_tI80_140_al_dkl_fl:Al-Fe-Nd,40.0,A5B9C6_tI80_140_al_dkl_fl:Al-Fe-Nd +mp-1210208,Nd6AlFe13,-7.1497040965,-0.0264672887,0.01709403,0.01709403,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Al-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Al-Fe-Nd +mp-1179971,Nd2Al2Fe15,-7.6185842074,-0.0355439613,0.0548368207,0.0548368207,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Nd,19.0,A2B15C2_hR57_166_c_dfh_c:Al-Fe-Nd +mp-1190721,Nd3AlFeS7,-6.4776251025,-1.8546927354,0.0473944907,0.0473944907,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-Nd-S +mp-1205888,NbFe(PbO3)2,-7.63842551,-2.0707502443,0.0526536197,0.0526536197,GGA+U,P4/mmm,ABC6D2_tP10_123_a_b_efg_h:Fe-Nb-O-Pb,10.0,"Invalid WP multiplicities - ABC6D2_tP10_123_a_b_2e2fg_h:Fe-Nb-O-Pb, expected NbFe(PbO5)2 to be NbFe(PbO3)2" +mp-1220306,NbFe(PbO3)2,-7.64376135,-2.0760860842,0.0473177797,0.0473177797,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Fe-Nb-O-Pb,10.0,ABC6D2_cF40_225_a_b_e_c:Fe-Nb-O-Pb +mp-6258,CeCr2Si2C,-8.0208489117,-0.4677679704,0.0,-0.0844185846,GGA,P4/mmm,ABC2D2_tP6_123_b_a_e_h:C-Ce-Cr-Si,6.0,ABC2D2_tP6_123_b_a_e_h:C-Ce-Cr-Si +mp-1183426,BeCuO3,-5.358760686,-0.8230235523,0.8353194198,0.8353194198,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Cu-O,5.0,ABC3_cP5_221_b_a_c:Be-Cu-O +mp-1041184,Be3Cu2(SiO4)3,-7.174722656,-2.422079128,0.1898101387,0.1898101387,GGA,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Cu-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Cu-O-Si, expected Be4Cu2Si3O17 to be Be3Cu2(SiO4)3" +mp-1227281,Be4CuSi,-3.9530313983,0.127331295,0.197518395,0.197518395,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Cu-Si,6.0,A4BC_cF24_216_e_a_c:Be-Cu-Si +mp-862290,LiFeRh2,-6.398555845,-0.1216658908,0.0,-0.0052365625,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Li-Rh,4.0,ABC2_cF16_225_a_b_c:Fe-Li-Rh +mp-1222530,LiFe2Rh3O8,-7.1886423214,-1.4375424224,0.0114288733,0.0114288733,GGA+U,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Fe-Li-O-Rh,14.0,A2BC8D3_hR42_160_2a_a_2a2b_b:Fe-Li-O-Rh +mp-1193019,MnRe(PbO3)2,-7.6948422443,-1.8236453559,0.0320742895,0.0320742895,GGA+U,C2/m,AB6C2D_mC60_12_ai_g6ij_hj_bi:Mn-O-Pb-Re,30.0,AB6C2D_mC60_12_ai_g6ij_hj_bi:Mn-O-Pb-Re +mp-1221845,MnRe(PbO3)2,-7.6304195195,-1.759222631,0.0964970143,0.0964970143,GGA+U,Imma,AB6C2D_oI40_74_a_2ej_bc_d:Mn-O-Pb-Re,20.0,AB6C2D_oI40_74_a_2ej_bc_d:Mn-O-Pb-Re +mp-1084762,MnRe(PbO3)2,-7.672523508,-1.8013266195000002,0.0543930258,0.0543930258,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-Re,10.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-Re +mp-1207356,RbTm3O6,-4.488148594,-0.079331333,3.2601249384,3.2601249384,GGA,Cmmm,A6BC3_oC20_65_kp_a_de:O-Rb-Tm,10.0,A6BC3_oC20_65_kp_a_de:O-Rb-Tm +mp-1101403,Rb3TmO3,-5.4199260936,-2.2402826972,0.0110856707,0.0110856707,GGA,C2/m,A3B3C_mC28_12_ij_ghi_i:O-Rb-Tm,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_2ij_gh2i_i:O-Rb-Tm, expected Rb4TmO4 to be Rb3TmO3" +mp-752406,Rb3TmO3,-5.4293971643,-2.2497537679,0.0016145999999999,0.0016145999999999,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:O-Rb-Tm,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:O-Rb-Tm, expected Rb9TmO9 to be Rb3TmO3" +mp-981550,RbTmO3,-6.401446674,-2.3421595481,0.2432502922,0.2432502922,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Tm,5.0,A3BC_cP5_221_c_a_b:O-Rb-Tm +mp-7478,RbTmO2,-6.92713702,-3.0897002904,0.0,-0.0717177998,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Tm,4.0,A2BC_hR12_166_c_a_b:O-Rb-Tm +mp-1209114,RbTm(MoO4)2,-8.0882535167,-2.5281552328,0.0,-0.0050972297,GGA+U,C2/c,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Tm,24.0,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Tm +mp-1228037,BaCaDy2F10,-6.223355085,-3.9195737868,0.4310440875,0.4310440875,GGA,C2/m,ABC2D10_mC28_12_a_b_f_cdeij:Ba-Ca-Dy-F,14.0,"Invalid WP multiplicities - ABC2D10_mC28_12_a_b_e_cdf2i2j:Ba-Ca-Dy-F, expected BaCaDy2F16 to be BaCaDy2F10" +mp-21527,Na2ScCuF7,-5.5530665011,-3.1478774889,0.0093588205,0.0093588205,GGA,Pnma,AB7C2D_oP44_62_a_3c2d_bc_c:Cu-F-Na-Sc,44.0,AB7C2D_oP44_62_a_3c2d_bc_c:Cu-F-Na-Sc +mp-1111065,Na2ScCuF6,-5.457752066,-3.0031920493,0.1945756406,0.1945756406,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Sc +mp-1112935,Cs2TaAgI6,-3.510091864,-0.9779582163,0.1510111503,0.1510111503,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Ta +mp-1210079,NaGdCu2F8,-6.1459796775,-2.9052386264,0.0,-0.0290403547,GGA,I422,A2B8CD_tI24_97_d_k_a_b:Cu-F-Gd-Na,12.0,A2B8CD_tI24_97_d_k_a_b:Cu-F-Gd-Na +mp-1221034,NaGdF4,-7.7802173489,-3.9394567816,0.0,-0.2180852272,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Gd-Na,18.0,A4BC_aP18_1_12a_3a_3a:F-Gd-Na +mp-1113110,Cs2RuAuF6,-4.649615269,-2.0688189601,0.1944969206,0.1944969206,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ru,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Ru +mp-1110622,RbNa2NiF6,-4.446614403,-2.3591548886,0.2488235338,0.2488235338,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Na-Ni-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-Na-Ni-Rb +mp-556353,Rb2NaNiF6,-4.663305626,-2.6100452337,0.0030640355,0.0030640355,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Ni-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Ni-Rb +mp-560909,NaLiYb2F8,-5.0768558208,-3.2766477825,0.037058235,0.037058235,GGA,Cmcm,A8BCD2_oC48_63_2cgh_a_c_g:F-Li-Na-Yb,,"Invalid WP multiplicities - A8BCD2_oC48_63_3c3g5h_a_c_g:F-Li-Na-Yb, expected NaLiYb2F29 to be NaLiYb2F8" +mp-1095377,ErSnPd,-5.4828822367,-0.8971580783,0.0348691811,-0.0735611182,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Pd-Sn,12.0,ABC_oP12_62_c_c_c:Er-Pd-Sn +mp-1079874,ErSnPd,-5.5177514178,-0.9320272594,0.0,-0.1084302993,GGA,P-62m,ABC_hP9_189_f_ad_g:Er-Pd-Sn,9.0,ABC_hP9_189_f_ad_g:Er-Pd-Sn +mp-5850,ErSnPd2,-5.6261520425,-0.8918884712,0.0,-0.0318186559,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Pd-Sn,4.0,AB2C_cF16_225_a_c_b:Er-Pd-Sn +mp-1215927,YEr(SnPd2)2,-5.8519142863,-0.8803066771,0.0025942587,0.0025942587,GGA,R-3m,AB4C2D_hR24_166_a_2c_c_b:Er-Pd-Sn-Y,8.0,"Invalid WP multiplicities - AB4C2D_hR24_166_a_3c_c_b:Er-Pd-Sn-Y, expected YEr(SnPd3)2 to be YEr(SnPd2)2" +mp-21762,Na2MnGaF7,-5.5627613473,-2.9977145587000003,0.0015619452,0.0015619452,GGA+U,P3_121,A7BCD2_hP66_152_7c_ab_c_abc:F-Ga-Mn-Na,66.0,A7BCD2_hP66_152_7c_ab_c_abc:F-Ga-Mn-Na +mp-557606,SbAs3(Se2F3)2,-4.7009247521,-1.5895764542,0.0293982318,0.0293982318,GGA,P2_1/m,A3B6CD4_mP28_11_ef_2e2f_e_2ef:As-F-Sb-Se,28.0,"Invalid WP multiplicities - A3B6CD4_mP28_11_2e2f_4e6f_e_3e3f:As-F-Sb-Se, expected SbAs6Se9F16 to be SbAs3(Se2F3)2" +mp-1195865,Ce2Te4Cl2O11,-6.5746370589000005,-2.2298975312,0.0,-0.0088296933,GGA,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Ce-Cl-O-Te,38.0,A2B2C11D4_aP38_2_2i_2i_11i_4i:Ce-Cl-O-Te +mp-1203316,Ce2Te7Cl2O17,-6.3381092489,-1.9931056427,0.0007518823,0.0007518823,GGA,P2/c,A2B2C17D7_mP56_13_g_g_e8g_f3g:Ce-Cl-O-Te,56.0,A2B2C17D7_mP56_13_g_g_e8g_f3g:Ce-Cl-O-Te +mp-1102615,CeTeCl,-5.7462429558,-2.1045990531,0.0242495627,0.0242495627,GGA,Pnma,ABC_oP12_62_c_c_c:Ce-Cl-Te,12.0,ABC_oP12_62_c_c_c:Ce-Cl-Te +mp-1018667,CeTeCl,-5.7395496283,-2.0979057256,0.0309428902,0.0309428902,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Cl-Te,6.0,ABC_tP6_129_c_a_c:Ce-Cl-Te +mp-555018,RbNa2AuO2,-4.0982500742,-1.2994427272,0.0,-0.0457729367,GGA,Pnnm,AB2C2D_oP12_58_a_g_g_c:Au-Na-O-Rb,12.0,AB2C2D_oP12_58_a_g_g_c:Au-Na-O-Rb +mp-1209397,Sn2(PCl8)3,-3.5547903972,-1.1884479466,0.0050009427,0.0050009427,GGA,P4_2/mbc,A24B3C2_tP116_135_4h4i_bg_h:Cl-P-Sn,116.0,A24B3C2_tP116_135_4h4i_bg_h:Cl-P-Sn +mp-28293,SnPCl9,-3.6407608836,-1.2716968562,0.005387535,-0.024703819,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-P-Sn,22.0,A9BC_aP22_2_9i_i_i:Cl-P-Sn +mp-569653,SnPCl9,-3.6461484186,-1.2770843912,0.0,-0.030091354,GGA,Cmme,A9BC_oC44_67_gmno_a_g:Cl-P-Sn,22.0,"Invalid WP multiplicities - A9BC_oC44_67_2g3m4n3o_a_g:Cl-P-Sn, expected SnPCl28 to be SnPCl9" +mp-568612,SnHg6(P2Cl3)2,-2.9391047007,-0.6699232871,0.0,-0.0223233443,GGA,P2_13,A6B6C4D_cP68_198_2b_2b_4a_a:Cl-Hg-P-Sn,68.0,"Invalid WP multiplicities - A6B6C4D_cP68_198_10b_12b_14a_a:Cl-Hg-P-Sn, expected SnHg36(P7Cl15)2 to be SnHg6(P2Cl3)2" +mp-685443,Sn(PCl6)4,-3.5685301722,-1.1537832162,0.0045068474,0.0045068474,GGA,Pmc2_1,A24B4C_oP116_26_8a8b16c_ab3c_ab:Cl-P-Sn,116.0,"Invalid WP multiplicities - A24B4C_oP116_26_14a16b43c_a2b12c_a2b:Cl-P-Sn, expected Sn3P27Cl116 to be Sn(PCl6)4" +mp-6016,NdAlGe2O7,-7.6231801748,-2.8607619974,0.0,-0.0163505498,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Al-Ge-Nd-O,44.0,"Invalid WP multiplicities - AB2CD7_mP44_14_e_5e_e_7e:Al-Ge-Nd-O, expected NdAlGe5O7 to be NdAlGe2O7" +mp-505693,Mg2GeB2Rh5,-6.4387368235,-0.6383457388,0.0,-0.1030349353,GGA,P4/mbm,A2BC2D5_tP20_127_g_a_g_cj:B-Ge-Mg-Rh,20.0,A2BC2D5_tP20_127_g_a_g_cj:B-Ge-Mg-Rh +mp-865162,MgGeRh2,-5.855024045,-0.6170431338,0.0,-0.11204383,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ge-Mg-Rh,4.0,ABC2_cF16_225_a_b_c:Ge-Mg-Rh +mp-1025437,CeBi2SeO4,-6.9237547,-2.3116629828,0.019138975,0.019138975,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Ce-O-Se,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Ce-O-Se +mp-1208829,Sr3Sc2(GeO4)3,-7.6233406986,-3.0752023651,0.0,-0.0244791317,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sc-Sr,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sc-Sr +mp-1214987,AlTlFe2F2,-5.1425950667,-0.6640585114,1.1003043067,1.1003043067,GGA+U,C2/c,AB2C2D_mC24_15_c_f_f_e:Al-F-Fe-Tl,,AB2C2D_mC24_15_a_f_f_e:Al-F-Fe-Tl +mp-1237061,AlTlFe2F2,-5.1391744075,-0.6606378522,1.1037249658,1.1037249658,GGA+U,C2/c,AB2C2D_mC24_15_c_f_f_e:Al-F-Fe-Tl,12.0,AB2C2D_mC24_15_a_f_f_e:Al-F-Fe-Tl +mp-1214823,AlTlFe2F2,-4.789720355,-0.3111837997,1.4531790183,1.4531790183,GGA+U,P4/mmm,AB2C2D_tP6_123_b_g_e_c:Al-F-Fe-Tl,6.0,AB2C2D_tP6_123_b_g_e_c:Al-F-Fe-Tl +mp-1214879,AlTlFe2F2,-4.9169651283,-0.4384285731,1.325934245,1.325934245,GGA+U,I4/mcm,AB2C2D_tI24_140_c_f_h_b:Al-F-Fe-Tl,12.0,AB2C2D_tI24_140_c_f_h_b:Al-F-Fe-Tl +mp-1212837,Eu2Zn2CuP3,-6.2107278694,-0.7891522431,0.0,-0.0014872806,GGA,P6_3/mmc,AB2C3D2_hP16_194_c_e_df_f:Cu-Eu-P-Zn,16.0,AB2C3D2_hP16_194_c_e_df_f:Cu-Eu-P-Zn +mp-1079564,EuCu4P3,-5.7991452913,-0.4374282912,0.0,-0.0132191934,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-Eu-P,8.0,A4BC3_tP8_123_i_a_bh:Cu-Eu-P +mp-1103514,Eu2Cu6P5,-6.0611409569,-0.5091597144,0.0,-0.0098464933,GGA,I4/mmm,A6B2C5_tI26_139_dg_e_a2e:Cu-Eu-P,13.0,A6B2C5_tI26_139_dg_e_a2e:Cu-Eu-P +mp-21373,EuCuP,-7.481581075,-0.8917440828000001,0.0,-0.1991013883,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Eu-P,6.0,ABC_hP6_194_c_a_d:Cu-Eu-P +mp-1103457,Eu3Zn2(CuP2)2,-6.5567935136,-0.8166011512,0.0005306845,0.0005306845,GGA,P-3m1,A2B3C4D2_hP11_164_d_ac_2d_d:Cu-Eu-P-Zn,11.0,A2B3C4D2_hP11_164_d_ac_2d_d:Cu-Eu-P-Zn +mp-1042278,PrZn(CuO3)2,-6.0474434235,-1.6555239262,0.1097070386,0.1097070386,GGA,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Cu-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_4a4b_a_a:Cu-O-Pr-Zn, expected PrZn(CuO6)2 to be PrZn(CuO3)2" +mp-1191034,NaCdSbS3,-4.0175094671,-0.8868818181,0.0276205512,0.0276205512,GGA,C2/c,ABC3D_mC48_15_2e_f_3f_f:Cd-Na-S-Sb,24.0,ABC3D_mC48_15_2e_f_3f_f:Cd-Na-S-Sb +mp-1223724,InMo12PbS16,-7.678728502,-0.918884169,0.0424385631,0.0424385631,GGA,R-3,AB12CD16_hR90_148_a_2f_b_2c2f:In-Mo-Pb-S,30.0,"Invalid WP multiplicities - AB12CD16_hR90_148_a_11f_b_3c11f:In-Mo-Pb-S, expected InMo66PbS72 to be InMo12PbS16" +mp-2229229,MgTl6(SbS4)2,-3.9746687459,-0.6143310785,0.0689719009,0.0689719009,GGA,P1,AB8C2D6_aP17_1_a_8a_2a_6a:Mg-S-Sb-Tl,17.0,AB8C2D6_aP17_1_a_8a_2a_6a:Mg-S-Sb-Tl +mp-2241187,MgTl6(SbS4)2,-3.9674983041,-0.6071606368,0.0761423426,0.0761423426,GGA,P1,AB8C2D6_aP17_1_a_8a_2a_6a:Mg-S-Sb-Tl,17.0,AB8C2D6_aP17_1_a_8a_2a_6a:Mg-S-Sb-Tl +mp-17929,RbHo2Cu3S5,-5.3880961155,-1.4676214648,0.0,-0.0261591927,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Ho-Rb-S,22.0,"Invalid WP multiplicities - A3B2CD5_oC44_63_c2f_f_c_c2f:Cu-Ho-Rb-S, expected RbHo2(CuS)5 to be RbHo2Cu3S5" +mp-9366,RbHoS2,-5.5569678075,-2.0980071384,0.0,-0.181140109,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Rb-S,4.0,ABC2_hR12_166_a_b_c:Ho-Rb-S +mp-17344,RbEr2Cu3S5,-5.3874376495,-1.4696339189,0.0,-0.0286154006,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Er-Rb-S,22.0,"Invalid WP multiplicities - A3B2CD5_oC44_63_c2f_f_c_c2f:Cu-Er-Rb-S, expected RbEr2(CuS)5 to be RbEr2Cu3S5" +mp-9367,RbErS2,-5.55235166,-2.0970635059,0.0,-0.0856253027,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Rb-S,4.0,ABC2_hR12_166_a_b_c:Er-Rb-S +mp-1219776,Rb3Er7S12,-6.0866773502,-2.2433577007,0.0,-0.0238301177,GGA,Pmn2_1,A7B3C12_oP44_31_7a_3a_12a:Er-Rb-S,44.0,"Invalid WP multiplicities - A7B3C12_oP44_31_10a_4a_18a:Er-Rb-S, expected Rb2Er5S9 to be Rb3Er7S12" +mp-569618,NaCe(PSe3)2,-4.9332771715,-1.0275083387,0.0,-0.037383382,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ce-Na-P-Se,40.0,"Invalid WP multiplicities - ABC2D6_mP40_14_e_e_7e_23e:Ce-Na-P-Se, expected NaCeP7Se23 to be NaCe(PSe3)2" +mp-567228,Na2PSe3,-4.0302166554,-0.9392020677,0.0,-0.0321023901,GGA,Cmce,A2BC3_oC48_64_ef_f_fg:Na-P-Se,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_3e2f_f_3f3g:Na-P-Se, expected Na5PSe9 to be Na2PSe3" +mp-1078419,Na3PSe4,-3.9019255212,-0.981359984,0.0,-0.0116510622,GGA,I-43m,A3BC4_cI16_217_b_a_c:Na-P-Se,8.0,A3BC4_cI16_217_b_a_c:Na-P-Se +mp-1210046,PrSCl,-6.0970426032,-2.5084118426,0.0261505651,0.0261505651,GGA,Pbcm,ABC_oP72_57_3e_cd2e_3e:Cl-Pr-S,72.0,ABC_oP72_57_3e_cd2e_3e:Cl-Pr-S +mp-1209710,Pr7(S2Cl3)3,-5.9657555509,-2.5602160315,0.014993035,0.014993035,GGA,P2/c,A9B7C6_mP44_13_e4g_f3g_3g:Cl-Pr-S,44.0,A9B7C6_mP44_13_e4g_f3g_3g:Cl-Pr-S +mp-556179,Pr3Si2S8Cl,-6.1425704932,-1.8473212846,0.0,-0.0082159793,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Cl-Pr-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e3f_15f_f:Cl-Pr-S-Si, expected Pr8Si2S30Cl to be Pr3Si2S8Cl" +mp-1021371,Mg6SnSb,-2.3066687925,-0.0891371181,0.1290413113,0.1290413113,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Sn, expected Mg12SnSb to be Mg6SnSb" +mp-1021391,Mg6SnSb,-2.3266058062,-0.1090741319,0.1091042976,0.1091042976,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Sn, expected Mg12SnSb to be Mg6SnSb" +mp-1366935,Mg2SnSbO6,-6.386660068,-2.2847335217,0.1576743779,0.1576743779,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sb-Sn,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Mg-O-Sb-Sn, expected Mg2SnSbO16 to be Mg2SnSbO6" +mp-1026644,Mg14SnSb,-1.9594852212,-0.0505793591,0.0721374306,0.0721374306,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Sn, expected Mg18SnSb to be Mg14SnSb" +mp-1026621,Mg14SnSb,-1.9725031469,-0.0635972847,0.059119505,0.059119505,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Sn, expected Mg26SnSb to be Mg14SnSb" +mp-1215802,YbTaTiO6,-8.9590267739,-3.2953589745,0.0772362594,0.0772362594,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:O-Ta-Ti-Yb,,"Invalid WP multiplicities - A6BCD_mP36_14_24e_e_e_e:O-Ta-Ti-Yb, expected YbTaTiO24 to be YbTaTiO6" +mp-1112923,Cs2ScAuI6,-3.352258914,-1.3285235191,0.048978815,0.048978815,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Sc,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Sc +mp-1112589,Cs2HgPdF6,-4.033269412,-2.1589453396,0.057318073,0.057318073,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Pd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Pd +mp-1111795,Rb2BiAuI6,-2.798908762,-1.0073450245,0.0799699462,0.0799699462,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-I-Rb +mp-1191431,La2Mn3Cu9P7,-5.7755526,-0.4353603303,0.1024273582,0.1024273582,GGA,P-6,A9B2C3D7_hP21_174_2jk_ad_k_ejk:Cu-La-Mn-P,21.0,A9B2C3D7_hP21_174_2jk_ad_k_ejk:Cu-La-Mn-P +mp-1111791,Rb2InAuI6,-2.694576971,-1.0118937735,0.1017000184,0.1017000184,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-I-In-Rb +mp-555970,NaTl2MoF6,-5.397852633,-2.5616190828,0.0,-0.080628481,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Mo-Na-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Mo-Na-Tl +mp-1214797,Ba2ErReO6,-8.112151233,-3.0591184188,0.002390677,-0.0260034057,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Er-O-Re,20.0,A2BC6D_mP20_14_e_a_3e_d:Ba-Er-O-Re +mp-1205977,Ba2ErReO6,-8.11454191,-3.0615090957,0.0,-0.0283940827,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Re +mp-1112890,Cs2InBiI6,-2.905165554,-1.1828479836,0.0074351155,0.0074351155,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-In,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-In +mp-1224727,KIn(TeMo)6,-6.6273643157,-0.3562344088,0.1504074043,0.1504074043,GGA,Pm,ABC6D6_mP14_6_a_b_3a3b_3a3b:In-K-Mo-Te,14.0,ABC6D6_mP14_6_a_b_3a3b_3a3b:In-K-Mo-Te +mp-1103956,K(TeMo)3,-6.6385532486,-0.484657969,0.0737239818,0.0737239818,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:K-Mo-Te,14.0,AB3C3_hP14_176_c_h_h:K-Mo-Te +mp-1235186,LiPu2TeO2,-9.5263925483,-2.2795120746,0.190501115,0.190501115,GGA,Amm2,AB2C2D_oC12_38_a_ab_ab_b:Li-O-Pu-Te,6.0,AB2C2D_oC12_38_a_ab_ab_b:Li-O-Pu-Te +mp-1236192,LiPu2TeO2,-9.3703253783,-2.1234449046,0.346568285,0.346568285,GGA,I4mm,AB2C2D_tI12_107_a_b_2a_a:Li-O-Pu-Te,6.0,AB2C2D_tI12_107_a_b_2a_a:Li-O-Pu-Te +mp-1235811,LiPu2TeO2,-9.3951368933,-2.1482564196,0.32175677,0.32175677,GGA,I4/mmm,AB2C2D_tI12_139_a_d_e_b:Li-O-Pu-Te,6.0,AB2C2D_tI12_139_a_d_e_b:Li-O-Pu-Te +mp-1185480,LiPu3,-10.3850544325,0.7930550317,0.7930550317,0.7930550317,GGA,Fm-3m,AB3_cF16_225_a_bc:Li-Pu,4.0,AB3_cF16_225_a_bc:Li-Pu +mp-1185258,Li3Pu,-4.615596885,0.3830548475,0.3830548475,0.3830548475,GGA,I4/mmm,A3B_tI8_139_ad_b:Li-Pu,4.0,A3B_tI8_139_ad_b:Li-Pu +mp-977299,Li3Pu,-4.5954087025,0.40324303,0.40324303,0.40324303,GGA,Fm-3m,A3B_cF16_225_ac_b:Li-Pu,4.0,A3B_cF16_225_ac_b:Li-Pu +mp-1111990,K2ScHgCl6,-3.982651824,-1.9878350916,0.1418668733,0.1418668733,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Sc +mp-6301,Ba3CeRu2O9,-7.654307105,-2.6703726079,0.0,-0.0139269261,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ce-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_194_2b2f_a_hk_f:Ba-Ce-O-Ru, expected Ba6CeRu2O9 to be Ba3CeRu2O9" +mp-546082,TmBi2ClO4,-6.7192861263,-2.4952729777,0.0,-0.0468435878,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Tm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Tm +mp-557905,Cu3Mo8Br2O23,-7.7423884431,-1.7439796123,0.0,-0.0010895995,GGA+U,Pbcm,A2B3C8D23_oP144_57_e_ae_c3d2e_c4d9e:Br-Cu-Mo-O,144.0,A2B3C8D23_oP144_57_e_ae_c3d2e_c4d9e:Br-Cu-Mo-O +mp-17513,Ba4Tb2Cd3S10,-5.1095538411,-1.8949327932,0.0163854742,0.0163854742,GGA,Cmc2_1,A4B3C10D2_oC76_36_4a_3a_10a_2a:Ba-Cd-S-Tb,38.0,A4B3C10D2_oC76_36_4a_3a_10a_2a:Ba-Cd-S-Tb +mp-530870,Tb6CdS10,-6.2773060519,-2.1541539914,0.0462224247,0.0462224247,GGA,P1,AB10C6_aP68_1_4a_40a_24a:Cd-S-Tb,68.0,AB10C6_aP68_1_4a_40a_24a:Cd-S-Tb +mp-34376,Tb2CdS4,-5.6695595407,-1.8499279082,0.0996796389,0.0996796389,GGA,I-42d,AB4C2_tI28_122_a_e_d:Cd-S-Tb,14.0,AB4C2_tI28_122_a_e_d:Cd-S-Tb +mp-1040794,TaNb2Zn2O8,-8.2662618712,-2.5621553619,0.1202508876,0.1202508876,GGA,P-1,A2B8CD2_aP26_2_2i_8i_i_2i:Nb-O-Ta-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_aP26_2_4i_16i_i_4i:Nb-O-Ta-Zn, expected TaNb4Zn4O16 to be TaNb2Zn2O8" +mp-1095616,BaNdAgS3,-5.5229526933,-1.8681146973,0.0,-0.036760145,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Nd-S,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Ba-Nd-S +mp-1217372,ThU(MnSi)4,-8.198936869,-0.4934767142,0.0,-0.0006047565,GGA,P4/mmm,A4B4CD_tP10_123_i_gh_a_d:Mn-Si-Th-U,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_i_2gh_c_b:Mn-Si-Th-U, expected ThU(Mn2Si3)2 to be ThU(MnSi)4" +mp-1228378,Ba3HfTa4O15,-9.5010502137,-3.5295043424,0.0,-0.0117467636,GGA,Pc,A3BC15D4_mP46_7_3a_a_15a_4a:Ba-Hf-O-Ta,46.0,"Invalid WP multiplicities - A3BC15D4_mP46_7_4a_a_25a_6a:Ba-Hf-O-Ta, expected Ba4HfTa6O25 to be Ba3HfTa4O15" +mp-1101752,PrAsS,-6.2516824467,-1.7261911044,0.0,-0.0860928672,GGA,Pnma,ABC_oP12_62_c_c_c:As-Pr-S,12.0,ABC_oP12_62_c_c_c:As-Pr-S +mp-1201868,Pr4As2S9,-6.1089318803,-1.7309379715,0.0,-0.0120908608,GGA,Pbcn,A2B4C9_oP60_60_d_2d_c4d:As-Pr-S,60.0,A2B4C9_oP60_60_d_2d_c4d:As-Pr-S +mp-1190453,Pr3AsS5Cl2,-5.9816185445,-2.0378768787,0.0,-0.0105935641,GGA,Cc,AB2C3D5_mC44_9_a_2a_3a_5a:As-Cl-Pr-S,22.0,AB2C3D5_mC44_9_a_2a_3a_5a:As-Cl-Pr-S +mp-1078379,FeBiS2Br,-5.014445045,-0.5871573642,0.2748465475,0.2748465475,GGA,C2/m,ABCD2_mC20_12_i_i_ac_2i:Bi-Br-Fe-S,10.0,ABCD2_mC20_12_i_i_ad_2i:Bi-Br-Fe-S +mp-1206435,Ba2DyTaO6,-8.580694461,-3.5824297993,0.0,-0.0586898495,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Ta +mp-1213151,CsLa(MoO4)2,-8.11523804,-2.5238864244,0.0154044869,0.0154044869,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-La-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-La-Mo-O +mp-1214521,Cs3La(MoO4)3,-7.6734869011,-2.4356222123,0.0,-0.0274460977,GGA+U,Pnma,A3BC3D12_oP76_62_3c_c_3c_6c3d:Cs-La-Mo-O,76.0,A3BC3D12_oP76_62_3c_c_3c_6c3d:Cs-La-Mo-O +mp-28995,Cu4SiP8,-5.1376359996,-0.1277464024,0.0,-0.0147046064,GGA,I4_1/a,A4B8C_tI52_88_f_2f_a:Cu-P-Si,26.0,A4B8C_tI52_88_f_2f_a:Cu-P-Si +mp-1213539,Cu2SiP4,-4.5370965268,0.5024665299000001,0.6282090182,0.6282090182,GGA,I4_1/a,A2B4C_tI56_88_f_2f_c:Cu-P-Si,28.0,A2B4C_tI56_88_f_2f_c:Cu-P-Si +mp-1207455,Zr2CuSiP2,-5.7973312383,0.4437572572,1.3723783139,1.3723783139,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-P-Si-Zr,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-P-Si-Zr +mp-581733,Zr4CuP,-7.8452075008,-0.5613222181,0.0634754127,0.0634754127,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Cu-P-Zr,12.0,ABC4_tP12_124_a_c_m:Cu-P-Zr +mp-674984,CuSi2P3,-5.2312066575,-0.0329149492,0.0938181542,0.0938181542,GGA,Cm,AB3C2_mC24_8_2a_6a_4a:Cu-P-Si,12.0,AB3C2_mC24_8_2a_6a_4a:Cu-P-Si +mp-1225706,CuSi2P3,-5.0360827167,0.1622089917,0.288942095,0.288942095,GGA,Pmm2,AB3C2_oP6_25_a_2bc_ad:Cu-P-Si,6.0,AB3C2_oP6_25_a_2bc_ad:Cu-P-Si +mp-1225670,CuSi2P3,-5.2230859683,-0.02479426,0.1019388434,0.1019388434,GGA,P3m1,AB3C2_hP6_156_a_abc_bc:Cu-P-Si,6.0,AB3C2_hP6_156_a_abc_bc:Cu-P-Si +mp-20588,ZrCuSiP,-6.569909085,-0.6985271258,0.0073527078,0.0073527078,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-P-Si-Zr,8.0,ABCD_tP8_129_a_c_b_c:Cu-P-Si-Zr +mp-1225800,CuSi4P3,-5.1476772963,0.1073709925,0.2182053242,0.2182053242,GGA,R3m,AB3C4_hR24_160_a_3a_4a:Cu-P-Si,8.0,AB3C4_hR24_160_a_3a_4a:Cu-P-Si +mp-8219,Zr(CuP)2,-6.173713138,-0.6591693413,0.0,-0.0758740842,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-P-Zr,5.0,A2B2C_hP5_164_d_d_a:Cu-P-Zr +mp-1220430,NbMoO4,-9.3252963017,-2.5363446358,0.0,-0.0047047599,GGA+U,Cmmm,ABC4_oC12_65_a_c_gj:Mo-Nb-O,6.0,ABC4_oC12_65_a_c_gj:Mo-Nb-O +mp-1047029,Ca2Nb2MoO8,-8.6135216442,-2.8725239796,0.1517285265,0.1517285265,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Ca-Mo-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Ca-Mo-Nb-O, expected Ca2Nb2MoO10 to be Ca2Nb2MoO8" +mp-1046942,Nb2MoO8,-8.8723799705,-2.4522190723,0.1794084804,0.1794084804,GGA+U,C2/c,AB2C8_mC44_15_e_f_4f:Mo-Nb-O,22.0,"Invalid WP multiplicities - AB2C8_mC44_15_e_f_5f:Mo-Nb-O, expected Nb2MoO10 to be Nb2MoO8" +mp-1215730,Zn3InAgS5,-3.897903639,-0.8933316492000001,0.0156505932,0.0156505932,GGA,P1,ABC5D3_aP20_1_2a_2a_10a_6a:Ag-In-S-Zn,20.0,ABC5D3_aP20_1_2a_2a_10a_6a:Ag-In-S-Zn +mp-1192354,Eu2Ga2GeS7,-6.4097008067,-1.397336426,0.0076362771,0.0076362771,GGA,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Eu-Ga-Ge-S,24.0,A2B2CD7_tP24_113_e_e_a_cef:Eu-Ga-Ge-S +mp-1105072,Eu(GaS2)2,-6.1131875186,-1.4190456168,0.0136589177,-0.0424303464,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Eu-Ga-S,14.0,AB2C4_oC28_66_a_l_kl:Eu-Ga-S +mp-1181942,Eu(GaS2)2,-6.1268464363,-1.4327045345,0.0,-0.0560892641,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Eu-Ga-S,56.0,"Invalid WP multiplicities - AB2C4_oF224_70_2ab2e_7h_25h:Eu-Ga-S, expected Eu7(Ga7S25)4 to be Eu(GaS2)2" +mp-1103210,EuMgNi,-5.9181348867,-0.0389953767,0.0999775806,0.0999775806,GGA,P2_13,ABC_cP12_198_a_a_a:Eu-Mg-Ni,12.0,ABC_cP12_198_a_a_a:Eu-Mg-Ni +mp-2225941,EuMgNiO3,-7.223698085,-1.8107839744,0.7423665461000001,0.7423665461000001,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Eu-Mg-Ni-O,6.0,ABCD3_tP6_123_a_b_d_ce:Eu-Mg-Ni-O +mp-555527,Sm3Si2S8Br,-6.060250055,-1.7994627886,0.0,-0.0109634368,GGA,C2/c,AB8C2D3_mC56_15_e_4f_f_ef:Br-S-Si-Sm,28.0,"Invalid WP multiplicities - AB8C2D3_mC56_15_e_14f_f_e2f:Br-S-Si-Sm, expected Sm5Si2S28Br to be Sm3Si2S8Br" +mp-1208844,SmSBr,-5.8475707133,-2.378215936,0.0,-0.0146358464,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-S-Sm,12.0,ABC_mP12_14_e_e_e:Br-S-Sm +mp-5058,FeAgS2,-5.3015227625,-0.4076535257,0.2284281246,0.2284281246,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Fe-S,8.0,ABC2_tI16_122_a_b_d:Ag-Fe-S +mp-1096969,FeAgS2,-5.343919505,-0.4500502682,0.1860313821,0.1860313821,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Fe-S,4.0,ABC2_hR12_160_a_a_2a:Ag-Fe-S +mp-1191552,Fe2AgS3,-5.8712367312,-0.5075787273,0.1691140243,0.1691140243,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Ag-Fe-S,24.0,AB2C3_mP24_14_e_2e_3e:Ag-Fe-S +mp-542627,Fe2AgS3,-5.8715575325,-0.5078995285,0.1687932231,0.1687932231,GGA,Cmce,AB2C3_oC48_64_f_g_fg:Ag-Fe-S,24.0,AB2C3_oC48_64_f_g_fg:Ag-Fe-S +mp-1189794,FeSi(AgS2)2,-5.1141848769,-0.6009035376,0.0963768365,0.0963768365,GGA,Pc,A2BC4D_mP16_7_2a_a_4a_a:Ag-Fe-S-Si,16.0,A2BC4D_mP16_7_2a_a_4a_a:Ag-Fe-S-Si +mp-1211336,La3FeSiS7,-6.6678174967,-1.8629416947,0.0440608825,0.0440608825,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Fe-La-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Fe-La-S-Si +mp-1223247,La6Fe(SiS7)2,-6.6213035622,-1.9757819084,0.0043035754,0.0043035754,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Fe-La-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Fe-La-S-Si +mp-1222460,Lu2TiCuO6,-8.238847048,-3.1671738486,0.1569897633,0.1569897633,GGA,P-6m2,AB2C6D_hP10_187_c_g_abhi_f:Cu-Lu-O-Ti,10.0,"Invalid WP multiplicities - AB2C6D_hP10_187_c_g_ab2h2i_f:Cu-Lu-O-Ti, expected Lu2TiCuO10 to be Lu2TiCuO6" +mp-1222714,Lu2Ti12(CuO4)9,-8.1163506815,-2.7136140904,0.0646669233,0.0646669233,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Lu-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f3g_d_32g_ad3e4g:Cu-Lu-O-Ti, expected Lu2Ti36(Cu9O64)3 to be Lu2Ti12(CuO4)9" +mp-1211836,K8Zr6BeBr20,-4.5936979009000005,-1.8802871917,0.0,-0.0631745267,GGA,Fm-3m,AB20C8D6_cF140_225_a_ceh_f_e:Be-Br-K-Zr,35.0,AB20C8D6_cF140_225_a_ceh_f_e:Be-Br-K-Zr +mp-1112933,Cs2TlAgI6,-2.627488811,-1.0448686116,0.0514005589,0.0514005589,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Tl +mp-1111279,Na2CuBiF6,-4.535207768,-2.3298457488,0.2505223442,0.2505223442,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-Na +mp-1202318,Dy3(Si3Ru)4,-6.7065997147,-0.6001898705000001,0.0021415673,0.0021415673,GGA,Cmce,A3B4C12_oC76_64_ae_df_df2g:Dy-Ru-Si,38.0,A3B4C12_oC76_64_ae_df_df2g:Dy-Ru-Si +mp-1206121,DyRu3C,-8.54678541,-0.2150534195,0.0,-0.019153186,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Dy-Ru,5.0,ABC3_cP5_221_b_a_c:C-Dy-Ru +mp-570595,DySiRu2C,-8.163786522,-0.6018714335,0.0,-0.0601302667,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Dy-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Dy-Ru-Si +mp-4177,Dy(SiRu)2,-7.688827696,-0.8875820999999999,0.0,-0.1575903275,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Ru-Si +mp-19873,DySiRu,-7.2430860433,-0.8075835733000001,0.0,-0.0325664187,GGA,Pnma,ABC_oP12_62_c_c_c:Dy-Ru-Si,12.0,ABC_oP12_62_c_c_c:Dy-Ru-Si +mp-1213045,Dy7Ru2C11,-7.8898806168,-0.2742989479,0.0,-0.0037326411,GGA,Cmcm,A11B7C2_oC80_63_3c4f_c3f_ac:C-Dy-Ru,40.0,A11B7C2_oC80_63_3c4f_c3f_ac:C-Dy-Ru +mp-559708,Li6ZrBeF12,-5.790995348,-3.4570754328,0.0123443764,0.0123443764,GGA,I4_1/amd,AB12C6D_tI80_141_a_3h_ef_b:Be-F-Li-Zr,40.0,"Invalid WP multiplicities - AB12C6D_tI80_141_a_11h_3e2f_b:Be-F-Li-Zr, expected Li14ZrBeF44 to be Li6ZrBeF12" +mp-1113703,Rb2LiScF6,-5.751716246,-3.5845828538,0.0,-0.004163083,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Sc +mp-1113106,Cs2InCuF6,-4.586368638,-2.5753117431,0.0632777183,0.0632777183,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-In,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-In +mp-1225976,CsInCuF6,-4.7052333039,-2.5702147953,0.0,-0.0053884069,GGA,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-In,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-In, expected CsInCuF12 to be CsInCuF6" +mp-1225951,CsMgInF6,-5.1142235844,-3.2568635892,0.0,-0.0427364315,GGA,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-In-Mg,18.0,AB6CD_oI36_74_e_2ej_a_c:Cs-F-In-Mg +mp-1228915,CsCoNiF6,-5.23443218,-2.4285732187,0.0,-0.0196551942,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Co-Cs-F-Ni,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Co-Cs-F-Ni, expected CsCoNiF12 to be CsCoNiF6" +mp-1112104,K2AlAgBr6,-3.358812077,-1.5471021063,0.0966396663,0.0966396663,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-K +mp-1113476,Rb2HgAuF6,-3.739799538,-2.0390491065,0.1006984947,0.1006984947,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-Rb +mp-1209956,NaTb(Pd3O4)2,-6.2339029581,-1.4457972117,0.0,-0.0365394814,GGA,Pm-3,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Tb,16.0,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Tb +mp-9985,NbNiB,-8.080294815,-0.5600169847,0.004139908,0.004139908,GGA,Cmcm,ABC_oC12_63_c_c_c:B-Nb-Ni,6.0,ABC_oC12_63_c_c_c:B-Nb-Ni +mp-1220806,Nb5Ni41B12,-6.6711849307,-0.3324809595,0.0016493205,0.0016493205,GGA,R-3m,A12B5C41_hR174_166_2h_a2c_b2cfg4h:B-Nb-Ni,58.0,"Invalid WP multiplicities - A12B5C41_hR174_166_10h_a3c_b4c6f5g22h:B-Nb-Ni, expected Nb7(Ni69B20)3 to be Nb5Ni41B12" +mp-1210179,Nb2(Ni7B2)3,-6.5818809024,-0.317679834,0.0,-0.0081893271,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Nb-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Nb-Ni +mp-1188857,NbNiB2,-7.9260991069,-0.6160427915000001,0.0,-0.0403397994,GGA,Pnma,A2BC_oP16_62_2c_c_c:B-Nb-Ni,16.0,A2BC_oP16_62_2c_c_c:B-Nb-Ni +mp-1210153,Nb3(Ni10B3)2,-6.7637876,-0.350580726,0.0,-0.0079368387,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Nb-Ni,29.0,A6B3C20_cF116_225_e_ac_fh:B-Nb-Ni +mp-1220578,Nb5Ni(B2Ru5)2,-9.17911813,-0.3917054118,0.0111203884,0.0111203884,GGA,P4/m,A4B5CD10_tP20_83_j_aj_c_f2k:B-Nb-Ni-Ru,20.0,"Invalid WP multiplicities - A4B5CD10_tP20_83_j_aj_c_f4k:B-Nb-Ni-Ru, expected Nb5Ni(B2Ru9)2 to be Nb5Ni(B2Ru5)2" +mp-1209662,Rb2Mg2Be3F12,-5.6500898976,-3.5807417687000003,0.0,-0.0299333552,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-Rb,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-Rb +mp-1214962,BaLu2F8,-6.8149913659,-4.4283815732,0.0,-0.0539073714,GGA,Pnma,AB8C2_oP88_62_2c_6c5d_2d:Ba-F-Lu,88.0,AB8C2_oP88_62_2c_6c5d_2d:Ba-F-Lu +mp-1228137,BaCaLu2F10,-6.6677255757000005,-4.3762066089000005,0.0084391475,0.0084391475,GGA,I4/mmm,ABC10D2_tI56_139_d_e_imn_h:Ba-Ca-F-Lu,28.0,"Invalid WP multiplicities - ABC10D2_tI56_139_d_e_4i4mn_h:Ba-Ca-F-Lu, expected BaCaLu2F28 to be BaCaLu2F10" +mp-10336,BaYCuTe3,-5.1109791508,-1.4585507503,0.0,-0.0284933765,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-Te-Y,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c2f_a:Ba-Cu-Te-Y, expected BaYCuTe6 to be BaYCuTe3" +mp-1111640,K2NaInBr6,-3.253826002,-1.6925083123,0.0559677043,0.0559677043,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-K-Na +mp-559470,AgPbBrO,-4.2923901437,-1.0311601151,0.0508453655,0.0508453655,GGA,P4/nmm,ABCD_tP8_129_c_c_a_c:Ag-Br-O-Pb,8.0,ABCD_tP8_129_c_c_a_c:Ag-Br-O-Pb +mp-621612,AgPb2Br5,-3.405714945,-1.1528409708,0.0282173706,0.0282173706,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Ag-Br-Pb,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_a_2e4f_f:Ag-Br-Pb, expected Ag(PbBr5)2 to be AgPb2Br5" +mp-14222,TlGaO2,-5.4282637512,-1.6072346033,0.11901636,0.11901636,GGA,Fd-3m,AB2C_cF32_227_a_c_b:Ga-O-Tl,8.0,AB2C_cF32_227_a_c_b:Ga-O-Tl +mp-1208025,TlGa(SeO4)2,-5.667003955,-1.3373313038,0.0357726349,0.0357726349,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:Ga-O-Se-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Ga-O-Se-Tl +mp-756909,TlGaO3,-5.663815099,-1.6176540384,0.06959212,0.06959212,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ga-O-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Ga-O-Tl, expected TlGaO7 to be TlGaO3" +mp-1187481,TlGaO3,-5.303302328,-1.2571412674,0.430104891,0.430104891,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ga-O-Tl,5.0,AB3C_cP5_221_b_c_a:Ga-O-Tl +mp-20709,Ba2ScSbO6,-5.181411302,-0.7834560527000001,2.1964557034,2.1964557034,GGA,Fm-3m,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Sc,10.0,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Sc +mp-554623,Sm2Ta2Cl2O7,-8.9436544846,-3.4454528055,0.0,-0.0209365275,GGA,C2/m,A2B7C2D2_mC26_12_i_a3i_i_i:Cl-O-Sm-Ta,13.0,"Invalid WP multiplicities - A2B7C2D2_mC26_12_i_a5i_i_i:Cl-O-Sm-Ta, expected Sm2Ta2Cl2O11 to be Sm2Ta2Cl2O7" +mp-1222711,Li2GeTeO6,-6.140215261,-2.0137840861,0.0,-0.0250174476,GGA,R3,AB2C6D_hR30_146_a_2a_2b_a:Ge-Li-O-Te,10.0,AB2C6D_hR30_146_a_2a_2b_a:Ge-Li-O-Te +mp-1196712,Dy4GaSbS9,-6.0271740153,-1.839687787,0.0027431151,0.0027431151,GGA,Aea2,A4BC9D_oC120_41_4b_b_2a8b_b:Dy-Ga-S-Sb,60.0,A4BC9D_oC120_41_4b_b_2a8b_b:Dy-Ga-S-Sb +mp-554782,Li2Ga2GeS6,-4.64879832,-1.0746378805,0.0354328313,0.0354328313,GGA,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:Ga-Ge-Li-S,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_10b:Ga-Ge-Li-S, expected Li2Ga2GeS20 to be Li2Ga2GeS6" +mp-1227160,CaTmMn2O6,-8.247238004,-2.7986781885000003,0.0195892817,0.0195892817,GGA+U,Pmc2_1,AB2C6D_oP20_26_a_c_ab2c_b:Ca-Mn-O-Tm,20.0,"Invalid WP multiplicities - AB2C6D_oP20_26_a_c_ab3c_b:Ca-Mn-O-Tm, expected CaTmMn2O8 to be CaTmMn2O6" +mp-1227152,CaTmMn2O6,-8.244662947,-2.7961031315,0.0221643387,0.0221643387,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Mn-O-Tm,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_3a6b_a:Ca-Mn-O-Tm, expected CaTmMn2O15 to be CaTmMn2O6" +mp-1227078,Ce4Mn3Sb8,-6.2874792027,-0.6707850416000001,0.0520286797,0.0520286797,GGA,P-4m2,A4B3C8_tP15_115_2g_abc_ef2g:Ce-Mn-Sb,15.0,"Invalid WP multiplicities - A4B3C8_tP15_115_3g_abc_ef3g:Ce-Mn-Sb, expected Ce6Mn3Sb10 to be Ce4Mn3Sb8" +mp-510487,CeMnSbO,-7.8206071463,-1.7779085467,0.1141914709,0.1141914709,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:Ce-Mn-O-Sb,8.0,ABCD_tP8_129_c_a_b_c:Ce-Mn-O-Sb +mp-1213945,Ce2MnSb2O,-6.2136453333,-0.5081645344,1.1504522837,1.1504522837,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ce-Mn-O-Sb,6.0,A2BCD2_tP6_123_g_a_b_g:Ce-Mn-O-Sb +mp-1227432,Ce6MnSb15,-5.6073426645,-0.7575440817,0.000598532,0.000598532,GGA,Cm,A6BC15_mC44_8_3b_a_5a5b:Ce-Mn-Sb,22.0,"Invalid WP multiplicities - A6BC15_mC44_8_4b_a_5a7b:Ce-Mn-Sb, expected Ce8MnSb19 to be Ce6MnSb15" +mp-4193,Tm9(FeGe)10,-6.4518730831,-0.5479762052,0.0,-0.009048449,GGA,Immm,A10B10C9_oI58_71_eo_fgjm_ceim:Fe-Ge-Tm,29.0,A10B10C9_oI58_71_eo_fgjm_ceim:Fe-Ge-Tm +mp-1206469,Tm4Fe3Ge4,-5.7499090945,-0.1312257542,0.4788627955,0.4788627955,GGA,Immm,A3B4C4_oI22_71_af_eh_n:Fe-Ge-Tm,,A3B4C4_oI22_71_af_eh_n:Fe-Ge-Tm +mp-4660,Tm(FeGe)2,-6.573778078,-0.4413913673,0.0,-0.0208075178,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Tm,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Tm +mp-1095685,Tm3(FeGe)4,-6.4748974455,-0.4931063064,0.0185341586,0.0185341586,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-Tm,11.0,A4B4C3_oI22_71_n_eg_bf:Fe-Ge-Tm +mp-1104308,Tm(Fe2Ge)2,-7.0994906371,-0.2992083552,0.0160711929,0.0160711929,GGA,Pnnm,A4B2C_oP14_58_2g_g_a:Fe-Ge-Tm,14.0,A4B2C_oP14_58_2g_g_a:Fe-Ge-Tm +mp-1103568,Tm(Fe2Ge)2,-7.100111045,-0.2998287631,0.015450785,0.015450785,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-Tm,14.0,A4B2C_tP14_136_i_f_a:Fe-Ge-Tm +mp-971806,TmFeGe2,-5.9714475075,-0.4234694217,0.0884434991,0.0884434991,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Tm,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Tm +mp-19483,TmFeGe2O7,-7.65917862,-2.4938392271,0.0046490807,0.0046490807,GGA+U,C2/m,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Tm,22.0,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Tm +mp-1216726,Tm2FeGe4,-5.6794786586,-0.5489353048,0.0025622931,0.0025622931,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Tm,,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Tm +mp-20651,TmFeO3,-8.433557634,-2.8763730806,0.0243056353,0.0243056353,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Tm,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Tm +mp-558400,TmFeO3,-8.4481145127,-2.8909299592,0.0097487566,0.0097487566,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Fe-O-Tm,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_2a4b7c_2a3b:Fe-O-Tm, expected Tm8Fe3O31 to be TmFeO3" +mp-1208100,Tm3Fe2Ge3,-6.152083665,-0.6225046331,0.0066491837,0.0066491837,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Ge-Tm,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Ge-Tm +mp-1208209,Tm3Fe5O12,-8.3153248303,-2.5584309875,0.0440417317,0.0440417317,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Tm,80.0,A5B12C3_cI160_230_ad_h_c:Fe-O-Tm +mp-1077874,Tm(FeO2)2,-8.2812193457,-2.3951289617,0.1015363227,0.1015363227,GGA+U,R-3m,A2B4C_hR21_166_c_2c_a:Fe-O-Tm,7.0,A2B4C_hR21_166_c_2c_a:Fe-O-Tm +mp-1197758,Tm(FeGe)6,-6.6657331308,-0.2784923759,0.0,-0.0335599849,GGA,Immm,A6B6C_oI78_71_hkno_3e3fgn_af:Fe-Ge-Tm,39.0,A6B6C_oI78_71_hkno_3e3fgn_af:Fe-Ge-Tm +mp-1210698,LuTiClO3,-8.3988508608,-3.5480099724,0.0,-0.0479719329,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Lu-O-Ti,12.0,ABC3D_mC24_12_i_i_3i_i:Cl-Lu-O-Ti +mp-1205654,CeSiRu2C,-8.391863899,-0.5646883475,0.0,-0.0339682033,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ce-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ce-Ru-Si +mp-1206127,CeRu3C,-8.838676454,-0.2416840005,0.0,-0.0716492285,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ce-Ru,5.0,ABC3_cP5_221_b_a_c:C-Ce-Ru +mp-2229088,Dy4MgTi2O10,-8.5364038141,-3.5196215461,0.1913444068,0.1913444068,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Dy-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Dy-Mg-O-Ti +mp-2229126,Dy4MgTi2O10,-8.5463659988,-3.5295837308,0.1813822221,0.1813822221,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Dy-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Dy-Mg-O-Ti +mp-2228991,Dy4MgTi2O10,-8.4989146159,-3.4821323479,0.228833605,0.228833605,GGA,P-1,A4BC10D2_aP17_2_2i_a_5i_bc:Dy-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_aP17_2_3i_a_9i_bc:Dy-Mg-O-Ti, expected Dy6MgTi2O18 to be Dy4MgTi2O10" +mp-2228934,Dy4MgTi2O10,-8.5324521753,-3.5156699073,0.1952960456,0.1952960456,GGA,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Dy-Mg-O-Ti,17.0,A4BC10D2_mP17_6_2c_a_ab4c_ab:Dy-Mg-O-Ti +mp-2229239,Dy4MgTi2O10,-8.5162097188,-3.4994274508,0.2115385021,0.2115385021,GGA,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Dy-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_mC34_12_4i_a_9i_i:Dy-Mg-O-Ti, expected Dy8MgTi2O18 to be Dy4MgTi2O10" +mp-1213085,Dy2MgTiO6,-8.544510743,-3.7055629416,0.0161383775,0.0161383775,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Dy-Mg-O-Ti,20.0,A2BC6D_mP20_14_e_a_3e_b:Dy-Mg-O-Ti +mp-1111473,Na2LiYCl6,-4.45560386,-2.2444374073,0.1259306855,0.1259306855,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Na-Y +mp-1110653,Rb2LiNdF6,-5.5419860100000005,-3.5312847851,0.050832804,0.050832804,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Nd-Rb +mp-1277613,Li2MgCo3O8,-6.4160189621,-1.679119758,0.0229962453,0.0229962453,GGA+U,P2/m,A3B2CD8_mP28_10_aho_cdef_bg_2m2n2o:Co-Li-Mg-O,28.0,"Invalid WP multiplicities - A3B2CD8_mP28_10_ae2o_cfgh_bd_3m3n7o:Co-Li-Mg-O, expected Li2Mg(CoO4)5 to be Li2MgCo3O8" +mp-1177928,Li2MgCo3O8,-6.4241687343,-1.6872695301,0.0148464732,0.0148464732,GGA+U,C2/m,A3B2CD8_mC28_12_ae_cd_b_2ij:Co-Li-Mg-O,28.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_c2e_ab_d_2ij:Co-Li-Mg-O, expected Li2MgCo5O8 to be Li2MgCo3O8" +mp-1177929,Li2MgCo3O8,-6.2571738979,-1.5202746937,0.1818413096,0.1818413096,GGA+U,C2/m,A3B2CD8_mC28_12_ae_f_b_2ij:Co-Li-Mg-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_af_e_b_4i3j:Co-Li-Mg-O, expected Li2MgCo3O20 to be Li2MgCo3O8" +mp-1032171,LiMg6CoO8,-6.2754098213,-2.6383829055,0.0902899812,0.0902899812,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-Li-Mg-O, expected LiMg6CoO12 to be LiMg6CoO8" +mp-1032218,LiMg6CoO8,-6.2965802875,-2.6595533718,0.069119515,0.069119515,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Li-Mg-O, expected LiMg6CoO12 to be LiMg6CoO8" +mp-754576,Li4MgCo3O8,-6.2804431294,-1.8970409674,0.0292002528,0.0292002528,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Co-Li-Mg-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_ae_b_2ch:Co-Li-Mg-O, expected Li4MgCo3O10 to be Li4MgCo3O8" +mp-1035145,LiMg14CoO16,-6.3106916841,-2.8554360359,0.0359205572,0.0359205572,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-Li-Mg-O, expected LiMg18CoO20 to be LiMg14CoO16" +mp-1034976,LiMg14CoO16,-6.3057933659,-2.8505377178,0.0408188753,0.0408188753,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-Li-Mg-O, expected LiMg30CoO32 to be LiMg14CoO16" +mp-1037085,LiMg30CoO32,-6.3223902628,-2.9580202484,0.0146781978,0.0146781978,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-Li-Mg-O, expected LiMg110CoO72 to be LiMg30CoO32" +mp-1037086,LiMg30CoO32,-6.3279085995,-2.9635385851,0.0091598611,0.0091598611,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-Li-Mg-O, expected LiMg90CoO80 to be LiMg30CoO32" +mp-777406,Li8MgCo13O28,-6.498624337,-1.5428827723,0.065179407,0.065179407,GGA+U,P1,A13B8CD28_aP50_1_13a_8a_a_28a:Co-Li-Mg-O,50.0,A13B8CD28_aP50_1_13a_8a_a_28a:Co-Li-Mg-O +mp-760219,Li2MgCo13O28,-6.6352556305,-1.2640387888,0.0279916364,0.0279916364,GGA+U,P1,A13B2CD28_aP44_1_13a_2a_a_28a:Co-Li-Mg-O,44.0,A13B2CD28_aP44_1_13a_2a_a_28a:Co-Li-Mg-O +mp-769527,Li2MgCo13O28,-6.6239524505,-1.2527356088,0.0392948164,0.0392948164,GGA+U,P-1,A13B2CD28_aP44_2_b6i_i_e_14i:Co-Li-Mg-O,44.0,"Invalid WP multiplicities - A13B2CD28_aP44_2_b11i_i_e_28i:Co-Li-Mg-O, expected Li2MgCo23O56 to be Li2MgCo13O28" +mp-769537,Li14MgCo13O28,-6.4236110188,-1.7943143146,0.0078764976,0.0078764976,GGA+U,P-1,A13B14CD28_aP56_2_a6i_cf6i_h_14i:Co-Li-Mg-O,56.0,"Invalid WP multiplicities - A13B14CD28_aP56_2_a11i_cf12i_h_27i:Co-Li-Mg-O, expected Li26MgCo23O54 to be Li14MgCo13O28" +mp-21228,SrCuSeF,-5.0609505475,-2.2619279054,0.0004771616,0.0004771616,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-F-Se-Sr,8.0,ABCD_tP8_129_a_b_c_c:Cu-F-Se-Sr +mp-1214107,Ca2FeAs2F,-4.33886536,-0.3870425687,1.2548985283,1.2548985283,GGA+U,P4/mmm,A2B2CD_tP6_123_g_g_a_b:As-Ca-F-Fe,6.0,A2B2CD_tP6_123_g_g_a_b:As-Ca-F-Fe +mp-1079859,CaFeAsF,-5.8939145938,-1.6323599781,0.2859614887,0.2859614887,GGA+U,Pmmn,ABCD_oP8_59_a_a_b_b:As-Ca-F-Fe,8.0,ABCD_oP8_59_a_a_b_b:As-Ca-F-Fe +mp-1080591,CaFeAsF,-5.8656493188,-1.6040947031,0.3142267637,0.3142267637,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ca-F-Fe,8.0,ABCD_tP8_129_c_c_a_b:As-Ca-F-Fe +mp-1032988,Mg6AlCdO8,-6.0320984869,-2.6668700131,0.2564071989,0.2564071989,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Cd-Mg-O, expected Mg6AlCdO12 to be Mg6AlCdO8" +mp-1033014,Mg6AlCdO8,-5.9864263925,-2.6211979187,0.3020792933,0.3020792933,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Cd-Mg-O, expected Mg6AlCdO12 to be Mg6AlCdO8" +mp-1036395,Mg14AlCdO16,-6.18919364,-2.8698372128000003,0.1188215429,0.1188215429,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Cd-Mg-O, expected Mg18AlCdO20 to be Mg14AlCdO16" +mp-1036439,Mg14AlCdO16,-6.1760337781,-2.8566773509,0.1319814048,0.1319814048,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Cd-Mg-O, expected Mg30AlCdO32 to be Mg14AlCdO16" +mp-1028235,Mg14AlCd,-1.7032438881,-0.011219745,0.0300998842,0.0300998842,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Cd-Mg, expected Mg18AlCd to be Mg14AlCd" +mp-1028221,Mg14AlCd,-1.7073534338,-0.0153292906,0.0259903386,0.0259903386,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Cd-Mg, expected Mg26AlCd to be Mg14AlCd" +mp-1037998,Mg30AlCdO32,-6.2589586962,-2.9625382923,0.0588112352,0.0588112352,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Cd-Mg-O, expected Mg90AlCdO80 to be Mg30AlCdO32" +mp-1037970,Mg30AlCdO32,-6.2546299925,-2.9582095886,0.0631399389,0.0631399389,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Cd-Mg-O, expected Mg110AlCdO72 to be Mg30AlCdO32" +mp-1185652,Mg16Al12Cd,-2.4910634748,-0.0264331121,0.0071422621,0.0071422621,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-Cd-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-Cd-Mg, expected Mg26Al20Cd to be Mg16Al12Cd" +mp-1185651,Mg16Al12Cd,-2.4867936603,-0.0221632976,0.0114120766,0.0114120766,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Cd-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b3c_a_a9b5c:Al-Cd-Mg, expected Mg58Al36Cd to be Mg16Al12Cd" +mp-1185626,Mg16Al12Cd,-2.4799246797,-0.0152943169,0.0182810572,0.0182810572,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Cd-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c5g:Al-Cd-Mg, expected Mg76Al12Cd to be Mg16Al12Cd" +mp-1185737,Mg17Al11Cd,-2.4160890107,-0.0254343645,0.0088328725,0.0088328725,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-Cd-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-Cd-Mg, expected Mg27Al19Cd to be Mg17Al11Cd" +mp-1023275,Mg6AlCd,-1.7853755831,-0.0016073469,0.0534183283,0.0534183283,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Cd-Mg, expected Mg12AlCd to be Mg6AlCd" +mp-1023306,Mg6AlCd,-1.7897840762,-0.00601584,0.0490098351,0.0490098351,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Cd-Mg, expected Mg12AlCd to be Mg6AlCd" +mp-628810,K2EuGeSe5,-5.1332354497,-1.2909704567,0.0107059731,0.0107059731,GGA,P2_1/c,ABC2D5_mP36_14_e_e_2e_5e:Eu-Ge-K-Se,36.0,"Invalid WP multiplicities - ABC2D5_mP36_14_e_e_6e_18e:Eu-Ge-K-Se, expected K6EuGeSe18 to be K2EuGeSe5" +mp-1214119,Ca2LaBeO5,-7.3417628289,-3.1839780193,0.052169672,0.052169672,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:Be-Ca-La-O,36.0,AB2CD5_oP36_62_c_d_c_3cd:Be-Ca-La-O +mp-1227216,CaLa2BeO5,-8.0287535786,-3.5453679663,0.0318350715,0.0318350715,GGA,Pna2_1,ABC2D5_oP36_33_a_a_2a_5a:Be-Ca-La-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_33_a_a_2a_10a:Be-Ca-La-O, expected CaLa2BeO10 to be CaLa2BeO5" +mp-1180842,KCu3GeSe4,-3.99606145,-0.4388733697,0.1859476942,0.1859476942,GGA,P-43m,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-K-Se,9.0,A3BCD4_cP9_215_c_b_a_e:Cu-Ge-K-Se +mp-1190141,Na2TeS3,-3.9511049638,-0.9181539503,0.0,-0.0315356089,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Na-S-Te,24.0,A2B3C_mP24_14_2e_3e_e:Na-S-Te +mp-1221250,Na3Ag(TeS3)2,-3.9137406004,-0.7549536945,0.0129632833,0.0129632833,GGA,P2_1,AB3C6D2_mP24_4_a_3a_6a_2a:Ag-Na-S-Te,24.0,AB3C6D2_mP24_4_a_3a_6a_2a:Ag-Na-S-Te +mp-1194628,BaRe3Se4O7,-6.7876360447,-0.9301011524,0.8572903647000001,0.8572903647000001,GGA,P-1,AB7C3D4_aP30_2_i_7i_3i_4i:Ba-O-Re-Se,30.0,AB7C3D4_aP30_2_i_7i_3i_4i:Ba-O-Re-Se +mp-1096686,TlBiPb2,-2.302517275,1.1045893292,1.1291565853,1.1291565853,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Pb-Tl,4.0,AB2C_oI8_71_a_e_b:Bi-Pb-Tl +mp-23408,Tl4Bi2S5,-4.0818944289,-0.6442762306,0.0,-0.0121412196,GGA,Pnma,A2B5C4_oP44_62_2c_5c_4c:Bi-S-Tl,44.0,"Invalid WP multiplicities - A2B5C4_oP44_62_2c_7c_5c:Bi-S-Tl, expected Tl5Bi2S7 to be Tl4Bi2S5" +mp-1209731,Tl3BiS6,-2.80022868,0.7744830971000001,1.3505318249,1.3505318249,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Bi-S-Tl,10.0,AB6C3_oC20_65_a_kp_de:Bi-S-Tl +mp-1216860,TlBiPbS3,-4.39170364,-0.6708488155,0.0422867783,0.0422867783,GGA,Imm2,ABC3D_oI12_44_a_a_3b_a:Bi-Pb-S-Tl,6.0,ABC3D_oI12_44_a_a_3b_a:Bi-Pb-S-Tl +mp-1216528,TlBiS2,-4.0900771675,-0.4710691649,0.2063721125,0.1793030742,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Bi-S-Tl,4.0,AB2C_tP4_123_a_bc_d:Bi-S-Tl +mp-36946,TlBiS2,-4.1762223563,-0.5572143536,0.1202269237,0.0931578855,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Bi-S-Tl,8.0,AB2C_tI16_141_a_e_b:Bi-S-Tl +mp-554310,TlBiS2,-4.29644928,-0.6774412774,0.0,-0.0270690383,GGA,R-3m,AB2C_hR12_166_a_c_b:Bi-S-Tl,4.0,AB2C_hR12_166_a_c_b:Bi-S-Tl +mp-1201906,Ba2GaBiS5,-5.0664652239,-1.5788225165,0.0,-0.0192956649,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-S,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Ga-S +mp-18484,La3MnFeS7,-6.9318901238,-1.8156228833,0.047722826,0.047722826,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Fe-La-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Fe-La-Mn-S +mp-1193928,CsAg2BiS3,-3.9578786139,-0.6992567412,0.0,-0.0170537701,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:Ag-Bi-Cs-S,28.0,A2BCD3_mP28_14_2e_e_e_3e:Ag-Bi-Cs-S +mp-1206064,La2NiMoO6,-8.253218265,-2.6354249382,0.2253097425,0.2253097425,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:La-Mo-Ni-O,10.0,A2BCD6_cF40_225_c_a_b_e:La-Mo-Ni-O +mp-1223026,La4Ni3MoO12,-7.982865387,-2.6183477317,0.1463626608,0.1463626608,GGA+U,P4/mmm,A4BC3D12_tP20_123_i_a_bcd_ghjk:La-Mo-Ni-O,20.0,"Invalid WP multiplicities - A4BC3D12_tP20_123_i_a_bcd_2g2h4j4k:La-Mo-Ni-O, expected La4Ni3MoO40 to be La4Ni3MoO12" +mp-9364,RbSmS2,-5.5742085625,-2.0812035772,0.0,-0.1662421397,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Sm,4.0,AB2C_hR12_166_a_c_b:Rb-S-Sm +mp-10835,RbSm2CuS4,-5.7673360219,-1.8844969619,0.0,-0.0281325309,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cu-Rb-S-Sm,16.0,ABC4D2_oC32_63_c_c_acf_f:Cu-Rb-S-Sm +mp-1378086,VZnO3,-7.1620193815,-2.1252762188,0.0800122215,0.0800122215,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-V-Zn,20.0,A3BC_oP20_62_cd_a_c:O-V-Zn +mp-1016931,VZnO3,-6.71785671,-1.6811135472,0.5241748930000001,0.5241748930000001,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:O-V-Zn,5.0,A3BC_cP5_221_c_b_a:O-V-Zn +mp-1388425,V2ZnO5,-7.7070816619,-2.1869567486,0.1217699869,0.1217699869,GGA+U,Pmmn,A5B2C_oP16_59_a2e_e_b:O-V-Zn,16.0,A5B2C_oP16_59_a2e_e_b:O-V-Zn +mp-1043287,V2ZnO5,-7.7978973181,-2.2777724048,0.0309543306,0.0309543306,GGA+U,Cmcm,A5B2C_oC32_63_c2f_f_c:O-V-Zn,16.0,A5B2C_oC32_63_c2f_f_c:O-V-Zn +mp-1343010,V2Zn2O5,-6.95422785,-1.9074786371,0.312013333,0.312013333,GGA+U,Pbam,A5B2C2_oP18_55_agh_g_h:O-V-Zn,18.0,"Invalid WP multiplicities - A5B2C2_oP18_55_2a2g3h_g_h:O-V-Zn, expected VZnO6 to be V2Zn2O5" +mp-1207938,V2Zn3O11,-6.0346125844,-1.2620739098,0.4546498721,0.4546498721,GGA+U,P-3m1,A11B2C3_hP16_164_a2di_c_f:O-V-Zn,16.0,A11B2C3_hP16_164_a2di_c_f:O-V-Zn +mp-1041384,V4ZnO9,-8.1414941846,-2.2760965924,0.1065146396,0.1065146396,GGA+U,P4/n,A9B4C_tP28_85_a2g_g_c:O-V-Zn,28.0,A9B4C_tP28_85_a2g_g_c:O-V-Zn +mp-634381,V2Zn2O7,-7.1690323282,-2.1404759338,0.0308431564,-0.0092223355,GGA+U,C2/m,A7B2C2_mC22_12_aij_i_h:O-V-Zn,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_ai2j_i_h:O-V-Zn, expected V2Zn2O11 to be V2Zn2O7" +mp-18807,V2Zn2O7,-7.1675836591,-2.1390272647,0.0322918255,-0.0077736664,GGA+U,C2/m,A7B2C2_mC22_12_aij_i_h:O-V-Zn,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_ai2j_i_h:O-V-Zn, expected V2Zn2O11 to be V2Zn2O7" +mp-17458,V2Zn2O7,-7.1998754845,-2.1713190901,0.0,-0.0400654918,GGA+U,C2/c,A7B2C2_mC44_15_e3f_f_f:O-V-Zn,22.0,A7B2C2_mC44_15_e3f_f_f:O-V-Zn +mp-1393942,VZnO2,-6.8324099375,-1.7731531619,0.2758914896,0.2758914896,GGA+U,P1,A2BC_aP16_1_8a_4a_4a:O-V-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-V-Zn, expected V3Zn2O7 to be VZnO2" +mp-1373349,VZnO2,-6.90939902,-1.8501422444,0.1989024071,0.1989024071,GGA+U,P1,A2BC_aP16_1_8a_4a_4a:O-V-Zn,16.0,A2BC_aP16_1_8a_4a_4a:O-V-Zn +mp-1379702,VZnO2,-6.9148715419,-1.8556147662,0.1934298852,0.1934298852,GGA+U,P1,A2BC_aP16_1_8a_4a_4a:O-V-Zn,16.0,A2BC_aP16_1_8a_4a_4a:O-V-Zn +mp-1046301,VZnO2,-6.8985574256,-1.83930065,0.2097440015,0.2097440015,GGA+U,P1,A2BC_aP16_1_8a_4a_4a:O-V-Zn,16.0,A2BC_aP16_1_8a_4a_4a:O-V-Zn +mp-1445974,VZnO2,-6.8114513481,-1.7521945725,0.296850079,0.296850079,GGA+U,C2,A2BC_mC32_5_4c_2c_2c:O-V-Zn,16.0,"Invalid WP multiplicities - A2BC_mC32_5_7c_3c_2c:O-V-Zn, expected V3Zn2O7 to be VZnO2" +mp-1043021,V4ZnO6,-8.2533720668,-2.137417507,0.167410738,0.167410738,GGA+U,Cmcm,A6B4C_oC44_63_ac2f_2f_c:O-V-Zn,22.0,"Invalid WP multiplicities - A6B4C_oC44_63_ac2f_6f_c:O-V-Zn, expected V12ZnO6 to be V4ZnO6" +mp-1365501,V2ZnO4,-7.8671557648,-2.2651113941,0.0766539218,0.0576923011,GGA+U,Cm,A4B2C_mC112_8_16a8b_8a4b_8a:O-V-Zn,56.0,"Invalid WP multiplicities - A4B2C_mC112_8_16a16b_8a7b_8a:O-V-Zn, expected V11Zn4O24 to be V2ZnO4" +mp-1332646,V2ZnO4,-7.8550921855,-2.2530478148,0.0887175012,0.0697558804,GGA+U,Cm,A4B2C_mC84_8_12a6b_6a3b_6a:O-V-Zn,42.0,"Invalid WP multiplicities - A4B2C_mC84_8_12a12b_6a6b_6a:O-V-Zn, expected V3ZnO6 to be V2ZnO4" +mp-1396989,V2ZnO4,-7.7418383529,-2.1397939821,0.2019713338,0.183009713,GGA+U,C2/m,A4B2C_mC28_12_4i_2i_i:O-V-Zn,14.0,"Invalid WP multiplicities - A4B2C_mC28_12_7i_3i_i:O-V-Zn, expected V3ZnO7 to be V2ZnO4" +mp-1041630,V2ZnO4,-7.810773115,-2.2087287443,0.1330365717,0.1140749509,GGA+U,Pbcm,A4B2C_oP28_57_cde_e_d:O-V-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_57_3c3d5e_e_d:O-V-Zn, expected V2ZnO16 to be V2ZnO4" +mp-1372314,V2ZnO4,-7.783008615,-2.1809642443,0.1608010717,0.1418394509,GGA+U,Pmmn,A4B2C_oP28_59_2eg_ce_ab:O-V-Zn,28.0,A4B2C_oP28_59_2eg_ce_ab:O-V-Zn +mp-1335777,V2ZnO4,-7.7991122043,-2.1970678336,0.1446974824,0.1257358616,GGA+U,Pnma,A4B2C_oP28_62_4c_2c_c:O-V-Zn,28.0,A4B2C_oP28_62_4c_2c_c:O-V-Zn +mp-1047669,V2ZnO4,-7.8047308571,-2.2026864864,0.1390788295,0.1201172087,GGA+U,Cmcm,A4B2C_oC28_63_acf_f_c:O-V-Zn,14.0,A4B2C_oC28_63_acf_f_c:O-V-Zn +mp-1041899,V2ZnO4,-7.8341661193,-2.2321217486,0.1096435674,0.0906819466,GGA+U,Imma,A4B2C_oI28_74_hi_ae_c:O-V-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:O-V-Zn, expected V2ZnO10 to be V2ZnO4" +mp-1045535,V2ZnO4,-7.7825789514,-2.1805345807,0.1612307352,0.1422691145,GGA+U,Imma,A4B2C_oI28_74_hi_ac_b:O-V-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_4h3i_2a2c_b:O-V-Zn, expected V4ZnO14 to be V2ZnO4" +mp-1040983,V2ZnO4,-7.9158154388,-2.3137710681,0.0279942479,0.0090326271,GGA+U,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-V-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c13d_2ab7d_a2b3c:O-V-Zn, expected V8Zn2O15 to be V2ZnO4" +mp-1048867,V2ZnO4,-7.9438096867,-2.341765316,0.0,-0.0189616208,GGA+U,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-V-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c16d_2ab8d_a2b3c:O-V-Zn, expected V9Zn2O18 to be V2ZnO4" +mp-1048892,V2ZnO4,-7.8984737582,-2.2964293875,0.0453359285,0.0263743077,GGA+U,R3m,A4B2C_hR42_160_2a2b_ab_2a:O-V-Zn,28.0,A4B2C_hR42_160_2a2b_ab_2a:O-V-Zn +mp-18879,V2ZnO4,-7.8713571743,-2.2693128036,0.0724525124,0.0534908916,GGA+U,Fd-3m,A4B2C_cF56_227_e_c_b:O-V-Zn,14.0,A4B2C_cF56_227_e_c_b:O-V-Zn +mp-1368630,V2Zn3O7,-6.7782981788,-2.0638095164,0.0725200604,0.0725200604,GGA+U,Cmc2_1,A7B2C3_oC48_36_a3b_b_ab:O-V-Zn,24.0,A7B2C3_oC48_36_a3b_b_ab:O-V-Zn +mp-17545,V2Zn3O8,-6.8146675765,-2.0823173719,0.0305734365,0.0305734365,GGA+U,Cmce,A8B2C3_oC52_64_2fg_f_ae:O-V-Zn,26.0,"Invalid WP multiplicities - A8B2C3_oC52_64_3fg_f_ae:O-V-Zn, expected V2Zn3O10 to be V2Zn3O8" +mp-1046105,Ta2VZn2O8,-8.454000396,-2.6930420698,0.0280578408,0.0280578408,GGA+U,C2/c,A8B2CD2_mC52_15_4f_f_e_f:O-Ta-V-Zn,52.0,A8B2CD2_mC52_15_4f_f_e_f:O-Ta-V-Zn +mp-1275008,V3Zn2O8,-7.5695985354,-2.23538968,0.0335530958,0.0335530958,GGA+U,C2/m,A8B3C2_mC26_12_2ij_ah_i:O-V-Zn,13.0,"Invalid WP multiplicities - A8B3C2_mC26_12_2ij_a2h_i:O-V-Zn, expected V5Zn2O8 to be V3Zn2O8" +mp-755946,V3Zn2O8,-7.5569449073,-2.2227360519,0.0462067238,0.0462067238,GGA+U,R-3m,A8B3C2_hR39_166_ch_d_c:O-V-Zn,26.0,A8B3C2_hR39_166_ch_d_c:O-V-Zn +mp-1042834,V3Zn2O8,-7.5799034338,-2.2456945785,0.0232481973,0.0232481973,GGA+U,P6_3mc,A8B3C2_hP26_186_ab2c_c_2b:O-V-Zn,26.0,A8B3C2_hP26_186_ab2c_c_2b:O-V-Zn +mp-27284,V3ZnO8,-7.9501446654,-2.2763970396,0.0069682748,0.0069682748,GGA+U,Iba2,A8B3C_oI96_45_8c_3c_c:O-V-Zn,48.0,A8B3C_oI96_45_8c_3c_c:O-V-Zn +mp-1178789,V2ZnO6,-7.6509779356,-2.1945681558,0.0228776319,0.0228776319,GGA+U,C2,A6B2C_mC18_5_3c_c_a:O-V-Zn,9.0,"Invalid WP multiplicities - A6B2C_mC18_5_5c_c_a:O-V-Zn, expected V2ZnO10 to be V2ZnO6" +mp-1045698,V2ZnO6,-7.5598770811,-2.1034673014,0.1139784864,0.1139784864,GGA+U,Pc,A6B2C_mP18_7_6a_2a_a:O-V-Zn,18.0,"Invalid WP multiplicities - A6B2C_mP18_7_10a_4a_a:O-V-Zn, expected V4ZnO10 to be V2ZnO6" +mp-2235594,V2ZnO6,-7.57336809,-2.1169583103,0.1004874775,0.1004874775,GGA+U,Cm,A6B2C_mC18_8_2a2b_2a_a:O-V-Zn,18.0,"Invalid WP multiplicities - A6B2C_aP9_1_8a_4a_a:O-V-Zn, expected V4ZnO8 to be V2ZnO6" +mp-540969,V2ZnO6,-7.6547412167,-2.1983314369,0.0191143508,0.0191143508,GGA+U,C2/m,A6B2C_mC18_12_3i_i_a:O-V-Zn,9.0,A6B2C_mC18_12_3i_i_a:O-V-Zn +mp-1202580,TaVO5,-9.413980297,-2.8889621175,0.0023997291,-0.058489677,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:O-Ta-V,56.0,A5BC_mP56_14_10e_2e_2e:O-Ta-V +mp-18137,TaVO5,-9.4163800261,-2.8913618466,0.0,-0.0608894061,GGA+U,Pnma,A5BC_oP28_62_a2cd_c_c:O-Ta-V,28.0,A5BC_oP28_62_a2cd_c_c:O-Ta-V +mp-725465,Rb2IO,-3.4197624744,-1.3244816728,0.1974490966,0.1974490966,GGA,Pnma,ABC2_oP16_62_c_c_2c:I-O-Rb,16.0,ABC2_oP16_62_c_c_2c:I-O-Rb +mp-1194106,Rb(IO3)3,-4.6767769277,-0.8367129643000001,0.1232058302,0.1232058302,GGA,P-1,A3B9C_aP26_2_3i_9i_i:I-O-Rb,26.0,A3B9C_aP26_2_3i_9i_i:I-O-Rb +mp-1198866,Rb(IO3)3,-4.6699428833,-0.8298789199000001,0.1300398746,0.1300398746,GGA,P-1,A3B9C_aP52_2_6i_18i_2i:I-O-Rb,52.0,A3B9C_aP52_2_6i_18i_2i:I-O-Rb +mp-1203699,Rb3IO5,-4.7381810189,-1.4994685607,0.0,-0.1826208167,GGA,Pnna,AB5C3_oP36_52_d_d2e_2cd:I-O-Rb,36.0,AB5C3_oP36_52_d_d2e_2cd:I-O-Rb +mp-23450,RbIO4,-4.8861185233,-1.1793426454,0.0,-0.0264908348,GGA,I4_1/a,AB4C_tI24_88_a_f_b:I-O-Rb,12.0,AB4C_tI24_88_a_f_b:I-O-Rb +mp-1209265,RbIO2,-3.7287578575,-0.6419383962,0.7977756783000001,0.7977756783000001,GGA,I4_1/a,AB2C_tI32_88_c_f_d:I-O-Rb,16.0,AB2C_tI32_88_c_f_d:I-O-Rb +mp-760417,Rb4I2O,-3.2005187386,-1.5125819241,0.0,-0.011746536,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:I-O-Rb,7.0,"Invalid WP multiplicities - A2BC4_tI14_139_e_a_2ce:I-O-Rb, expected Rb6I2O to be Rb4I2O" +mp-1179783,RbIO3,-3.848607274,-0.3898139628,0.99360821,0.8437117765000001,GGA,Cm,AB3C_mC10_8_a_ab_a:I-O-Rb,5.0,AB3C_mC10_8_a_ab_a:I-O-Rb +mp-27193,RbIO3,-4.8422154840000005,-1.3834221728,0.0,-0.1498964335,GGA,R3m,AB3C_hR15_160_a_b_a:I-O-Rb,5.0,AB3C_hR15_160_a_b_a:I-O-Rb +mp-29019,Rb3IO,-3.2850315657,-1.4127001099,0.0,-0.0138150217,GGA,P6_3/mmc,ABC3_hP30_194_bf_af_hk:I-O-Rb,30.0,"Invalid WP multiplicities - ABC3_hP30_194_bf_af_2h3k:I-O-Rb, expected Rb8IO to be Rb3IO" +mp-1188141,RbAu(IO3)4,-4.7873167944,-0.9257531274,0.0,-0.027531712,GGA,C2,AB4C12D_mC36_5_a_2c_6c_b:Au-I-O-Rb,18.0,AB4C12D_mC36_5_a_2c_6c_b:Au-I-O-Rb +mp-34578,Ba4Y3F17,-6.806484715,-4.3243824005,0.0,-0.0033858956,GGA,P1,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Y,48.0,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Y +mp-1049236,Ba2YMn2F11,-6.8372492373,-3.7338292235,0.0619840527,0.0619840527,GGA+U,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-Mn-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-Mn-Y, expected Ba5YMn5F31 to be Ba2YMn2F11" +mp-778071,BaYF5,-6.8336736136,-4.2704106292,0.0730237721,0.0729578204,GGA,P-1,AB5C_aP42_2_3i_15i_3i:Ba-F-Y,42.0,"Invalid WP multiplicities - AB5C_aP42_2_5i_29i_5i:Ba-F-Y, expected Ba5Y5F29 to be BaYF5" +mp-768355,BaYF5,-6.8702562917000005,-4.3069933073,0.036441094,0.0363751423,GGA,P-1,AB5C_aP42_2_3i_15i_3i:Ba-F-Y,42.0,"Invalid WP multiplicities - AB5C_aP42_2_5i_29i_5i:Ba-F-Y, expected Ba5Y5F29 to be BaYF5" +mp-778102,BaYF5,-6.8747334314,-4.311470447,0.0319639543,0.0318980026,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-F-Y,28.0,"Invalid WP multiplicities - AB5C_mP28_4_4a_20a_3a:Ba-F-Y, expected Ba4Y3F20 to be BaYF5" +mp-754920,BaYF5,-6.84512724,-4.2818642556,0.0615701457,0.061504194,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-F-Y,28.0,"Invalid WP multiplicities - AB5C_mP28_4_3a_19a_3a:Ba-F-Y, expected Ba3Y3F19 to be BaYF5" +mp-777233,BaYF5,-6.8468142779,-4.2835512935,0.0598831079,0.0598171561,GGA,P2_1,AB5C_mP28_4_2a_10a_2a:Ba-F-Y,28.0,"Invalid WP multiplicities - AB5C_mP28_4_3a_19a_3a:Ba-F-Y, expected Ba3Y3F19 to be BaYF5" +mp-777978,BaYF5,-6.8094767402,-4.2462137558,0.0972206455,0.0971546938,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-F-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_3e:Ba-F-Y, expected Ba7Y3F39 to be BaYF5" +mp-1178552,BaYF5,-6.8747010468,-4.3114380624,0.0319963389,0.0319303872,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-F-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_5e:Ba-F-Y, expected Ba7Y5F39 to be BaYF5" +mp-757176,BaYF5,-6.8438639921,-4.2806010077,0.0628333936,0.0627674419,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-F-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-F-Y, expected BaYF16 to be BaYF5" +mp-752675,BaYF5,-6.9066973857,-4.3434344013,0.0,-6.59517e-05,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-F-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e5f_e:Ba-F-Y, expected BaYF12 to be BaYF5" +mp-755751,BaYF5,-6.8482979825,-4.2850349981,0.0583994032,0.0583334515,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Ba-F-Y,28.0,"Invalid WP multiplicities - AB5C_oP28_19_a_17a_a:Ba-F-Y, expected BaYF17 to be BaYF5" +mp-1178515,BaYF5,-6.8667879779,-4.3035249935,0.0399094079,0.0398434561,GGA,Pmma,AB5C_oP14_51_f_eij_a:Ba-F-Y,14.0,AB5C_tP7_123_c_ai_b:Ba-F-Y +mp-778079,BaYF5,-6.8668722171,-4.3036092327,0.0398251686,0.0397592169,GGA,P4/mmm,AB5C_tP7_123_c_ai_b:Ba-F-Y,7.0,AB5C_tP7_123_c_ai_b:Ba-F-Y +mp-752674,BaY3F11,-7.178011901,-4.3550347728,0.0412729942,0.0412729942,GGA,P-1,AB11C3_aP30_2_i_11i_3i:Ba-F-Y,30.0,"Invalid WP multiplicities - AB11C3_aP30_2_i_21i_5i:Ba-F-Y, expected BaY5F21 to be BaY3F11" +mp-776825,BaY3F11,-7.1304400658,-4.3074629377,0.0888448293,0.0888448293,GGA,P2_12_12_1,AB11C3_oP60_19_a_11a_3a:Ba-F-Y,60.0,"Invalid WP multiplicities - AB11C3_oP60_19_a_41a_9a:Ba-F-Y, expected BaY9F41 to be BaY3F11" +mp-778080,BaY3F11,-7.1514564337,-4.3284793055,0.0678284615,0.0678284615,GGA,Pmma,AB11C3_oP30_51_e_b3ef2ij_ai:Ba-F-Y,30.0,"Invalid WP multiplicities - AB11C3_oP30_51_e_b6e2f4i2j_a2i:Ba-F-Y, expected BaY5F21 to be BaY3F11" +mp-777258,Ba3YF9,-6.4530589733,-4.1894661547,0.0732245975,0.0732245975,GGA,Pnma,A3B9C_oP52_62_3c_3c3d_c:Ba-F-Y,52.0,"Invalid WP multiplicities - A3B9C_oP52_62_9c_10c11d_c:Ba-F-Y, expected Ba9YF32 to be Ba3YF9" +mp-1041775,YMn3F15,-5.9074427021,-2.6114057809,0.2142981803,0.2142981803,GGA+U,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Mn-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Mn-Y, expected YMn6F54 to be YMn3F15" +mp-778086,Ba3Y2F12,-6.6834011806,-4.2347179655,0.0802292418,0.0802292418,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-F-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_7e:Ba-F-Y, expected Ba9Y7F45 to be Ba3Y2F12" +mp-752420,Ba3Y2F12,-6.7433967862,-4.2947135711,0.0202336362,0.0202336362,GGA,P4/mbm,A3B12C2_tP34_127_ah_fgl_g:Ba-F-Y,34.0,"Invalid WP multiplicities - A3B12C2_tP34_127_2a2h_2f4g6l_g:Ba-F-Y, expected Ba3YF30 to be Ba3Y2F12" +mp-792780,Ba5Y3F19,-6.6318171133,-4.2128397644,0.0937206044,0.0937206044,GGA,P1,A5B19C3_aP54_1_10a_38a_6a:Ba-F-Y,54.0,A5B19C3_aP54_1_10a_38a_6a:Ba-F-Y +mp-778377,Ba5Y3F19,-6.6358580752,-4.2168807262,0.0896796426,0.0896796426,GGA,P-1,A5B19C3_aP54_2_5i_ad18i_3i:Ba-F-Y,54.0,"Invalid WP multiplicities - A5B19C3_aP54_2_9i_ad35i_5i:Ba-F-Y, expected Ba9Y5F36 to be Ba5Y3F19" +mp-778387,Ba5Y3F19,-6.6404427311,-4.2214653821,0.0850949867,0.0850949867,GGA,I4cm,A5B19C3_tI108_108_bd_a3c3d_ac:Ba-F-Y,54.0,"Invalid WP multiplicities - A5B19C3_tI108_108_2bd_a8c15d_a2c:Ba-F-Y, expected Ba6Y5F77 to be Ba5Y3F19" +mp-778072,Ba2Y5F19,-7.0801273394,-4.2921117306,0.0993242166,0.0993242166,GGA,P2_1,A2B19C5_mP52_4_2a_19a_5a:Ba-F-Y,52.0,"Invalid WP multiplicities - A2B19C5_mP52_4_3a_37a_9a:Ba-F-Y, expected Ba3Y9F37 to be Ba2Y5F19" +mp-768240,BaY2F8,-7.1251333664,-4.3847925567,0.0,-0.0106162666,GGA,C2/m,AB8C2_mC22_12_a_gij_h:Ba-F-Y,11.0,"Invalid WP multiplicities - AB8C2_mC22_12_a_g2i2j_h:Ba-F-Y, expected BaY2F14 to be BaY2F8" +mp-768222,BaY2F8,-7.0490868209,-4.3087460112,0.0760465455,0.0654302789,GGA,I-4,AB8C2_tI22_82_a_2g_e:Ba-F-Y,11.0,"Invalid WP multiplicities - AB8C2_tI22_82_a_6g_e:Ba-F-Y, expected BaY2F24 to be BaY2F8" +mp-753990,BaY2F8,-7.0523187191,-4.3119779094,0.0728146473,0.0621983807,GGA,P4/mmm,AB8C2_tP11_123_a_r_e:Ba-F-Y,11.0,AB8C2_tP11_123_a_r_e:Ba-F-Y +mp-1402653,YMnF5,-7.2720066071,-3.6740235724,0.1283894096,0.1283894096,GGA+U,Immm,A5BC_oI14_71_ceg_b_a:F-Mn-Y,7.0,A5BC_oI14_71_ceg_b_a:F-Mn-Y +mp-768350,Ba2YF7,-6.592688477,-4.2242111004,0.068091643,0.068091643,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-F-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-F-Y, expected Ba7Y3F27 to be Ba2YF7" +mp-777744,Ba2YF7,-6.6580605835,-4.2895832069,0.0027195365,0.0027195365,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-F-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-F-Y, expected Ba5YF25 to be Ba2YF7" +mp-753793,Ba2YF7,-6.611775387,-4.2432980104,0.049004733,0.049004733,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Ba-F-Y,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e9f_e:Ba-F-Y, expected Ba2YF20 to be Ba2YF7" +mp-768369,Ba2YF7,-6.6049585638,-4.2364811872,0.0558215563,0.0558215563,GGA,Pnma,A2B7C_oP40_62_2c_3c2d_c:Ba-F-Y,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_11c6d_c:Ba-F-Y, expected Ba5YF23 to be Ba2YF7" +mp-1120785,Na2V2F7,-6.2095429609,-3.1010688246,0.0053566741,0.0053566741,GGA+U,C2/c,A7B2C2_mC176_15_14f_abce2f_de3f:F-Na-V,88.0,A7B2C2_mC176_15_14f_acde2f_be3f:F-Na-V +mp-1120795,NaV3F10,-6.6073484093,-3.2009888965,0.0040461441,0.0040461441,GGA+U,Fdd2,A10BC3_oF112_43_5b_a_ab:F-Na-V,28.0,A10BC3_oF112_43_5b_a_ab:F-Na-V +mp-1120804,NaV3F7,-6.7270580936,-2.9130038867,0.0850405445,0.0850405445,GGA+U,C2/c,A7BC3_mC44_15_e3f_a_bcd:F-Na-V,22.0,"Invalid WP multiplicities - A7BC3_mC44_15_e4f_a_bcd:F-Na-V, expected NaV3F9 to be NaV3F7" +mp-1111085,Na2VAuF6,-4.97561663,-2.3284453838,0.4010875013,0.4010875013,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-V,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-V +mp-1120731,NaVF6,-5.6772642038,-2.9428510577,0.0,-0.1033603559,GGA+U,Pnma,A6BC_oP32_62_2c2d_c_c:F-Na-V,32.0,"Invalid WP multiplicities - A6BC_oP32_62_7c14d_c_c:F-Na-V, expected NaVF35 to be NaVF6" +mp-1120756,NaVF3,-6.22392806,-2.9957544068,0.0,-0.020377314,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Na-V,20.0,A3BC_oP20_62_cd_c_a:F-Na-V +mp-20572,NaVF3,-6.132578152,-2.9044044988,0.091349908,0.070972594,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-Na-V,5.0,A3BC_cP5_221_c_a_b:F-Na-V +mp-1120790,Na2VF5,-5.8071467031,-3.1463527663,0.0,-0.0249667309,GGA+U,P2_1/c,A5B2C_mP32_14_5e_2e_ab:F-Na-V,32.0,A5B2C_mP32_14_5e_2e_ad:F-Na-V +mp-17999,NaVF4,-6.1910680679,-3.182343529,0.0,-0.0104939019,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Na-V,24.0,A4BC_mP24_14_4e_e_e:F-Na-V +mp-556633,Na3VF6,-5.5195366785,-3.067501103,0.037283821,0.037283821,GGA+U,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-Na-V,20.0,A6B3C_mP20_14_3e_ae_b:F-Na-V +mp-1111505,Na3VF6,-5.401901292,-2.9498657165,0.1549192075,0.1549192075,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-V,10.0,A6B3C_cF40_225_e_ac_b:F-Na-V +mp-1102937,BrNO,-5.2735104117,-0.3281064229,0.0154577642,0.0154577642,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-N-O,12.0,ABC_mP12_14_e_e_e:Br-N-O +mp-726297,BrNO,-5.246258715,-0.3008547262,0.0427094608,0.0427094608,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-N-O,12.0,ABC_mP12_14_e_e_e:Br-N-O +mp-731813,Pb2Br5N,-3.3124727781,-0.3716064388,0.6403855006,0.6403855006,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-N-Pb,16.0,A5BC2_tI32_140_cl_a_h:Br-N-Pb +mp-1195226,Pb4Br3NO16,-5.1585509706,-0.7005014883,0.2049144617,0.2049144617,GGA,Cc,A3BC16D4_mC96_9_3a_a_16a_4a:Br-N-O-Pb,48.0,A3BC16D4_mC96_9_3a_a_16a_4a:Br-N-O-Pb +mp-1195619,Pb2NO5,-6.239882493,-1.1779784153,0.0572047267,0.0572047267,GGA,Pbca,AB5C2_oP64_61_c_5c_2c:N-O-Pb,64.0,AB5C2_oP64_61_c_5c_2c:N-O-Pb +mp-29526,BrNO3,-5.4999319555,-0.5540140778,0.0,-0.0640617883,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:Br-N-O,20.0,ABC3_oP20_19_a_a_3a:Br-N-O +mp-1201318,Pb3(NO4)2,-6.3901080915,-1.2066895723,0.0,-0.0137800698,GGA,Pnma,A2B8C3_oP52_62_2c_4c2d_3c:N-O-Pb,52.0,A2B8C3_oP52_62_2c_4c2d_3c:N-O-Pb +mp-867984,Pb3NO6,-6.0882011592,-1.172744319,0.1183017658,0.1183017658,GGA,Pca2_1,AB6C3_oP40_29_a_6a_3a:N-O-Pb,40.0,AB6C3_oP40_29_a_6a_3a:N-O-Pb +mp-1195472,Pb3NO6,-6.0890618462,-1.173605006,0.1174410788,0.1174410788,GGA,Pbcm,AB6C3_oP40_57_d_3c3d_3d:N-O-Pb,40.0,AB6C3_oP40_57_d_3c3d_3d:N-O-Pb +mp-20820,Pb(NO3)2,-6.6327491339,-1.0698858908,0.0,-0.1687893425,GGA,Pa-3,A2B6C_cP36_205_c_d_a:N-O-Pb,36.0,A2B6C_cP36_205_c_d_a:N-O-Pb +mp-868032,Pb13(N2O13)2,-6.026148444,-1.1372112788,0.1585517264,0.1585517264,GGA,R-3,A4B26C13_hR129_148_2c_c4f_a2f:N-O-Pb,43.0,A4B26C13_hR129_148_2c_c4f_a2f:N-O-Pb +mp-562065,PO2,-7.3679027042,-2.2656760611,0.0114414143,0.0114414143,GGA,C2/c,A2B_mC48_15_2e3f_2f:O-P,24.0,"Invalid WP multiplicities - A2B_mC48_15_4e9f_5f:O-P, expected P5O11 to be PO2" +mp-1238819,PO2,-6.70948755,-1.6072609069,0.6698565684000001,0.6698565684000001,GGA,Cm,A2B_mC6_8_2a_a:O-P,3.0,A2B_mC6_8_2a_a:O-P +mp-689684,P2O5,-6.7870447736,-1.7070378351,0.7327308886,0.4924929988,GGA,P1,A5B2_aP28_1_20a_8a:O-P,28.0,A5B2_aP28_1_20a_8a:O-P +mp-661384,P2O5,-7.483753475,-2.4037465365,0.0360221871,-0.2042157026,GGA,P1,A5B2_aP14_1_10a_4a:O-P,14.0,A5B2_aP14_1_10a_4a:O-P +mp-1244897,P2O5,-6.8051534215,-1.725146483,0.7146222406,0.4743843509,GGA,P1,A5B2_aP105_1_75a_30a:O-P,105.0,A5B2_aP105_1_75a_30a:O-P +mp-1245177,P2O5,-6.7166942287,-1.6366872902,0.8030814335,0.5628435437,GGA,P1,A5B2_aP105_1_75a_30a:O-P,105.0,A5B2_aP105_1_75a_30a:O-P +mp-1245218,P2O5,-6.9636525028000005,-1.8836455642,0.5561231594,0.3158852696,GGA,P1,A5B2_aP105_1_75a_30a:O-P,105.0,A5B2_aP105_1_75a_30a:O-P +mp-1245245,P2O5,-6.7590126889,-1.6790057503,0.7607629733,0.5205250835,GGA,P1,A5B2_aP105_1_75a_30a:O-P,105.0,A5B2_aP105_1_75a_30a:O-P +mp-1182643,P2O5,-5.9588106536000005,-0.8788037151,1.5609650086,1.3207271188,GGA,Cc,A5B2_mC56_9_10a_4a:O-P,28.0,"Invalid WP multiplicities - A5B2_mC56_9_13a_5a:O-P, expected P5O13 to be P2O5" +mp-2452,P2O5,-7.5197756621,-2.4397687236,0.0,-0.2402378898,GGA,Fdd2,A5B2_oF56_43_a2b_b:O-P,14.0,A5B2_oF56_43_a2b_b:O-P +mp-990076,P2O5,-6.84290471,-1.7628977715,0.6768709521,0.4366330624,GGA,Pmmm,A5B2_oP7_47_afgj_bc:O-P,7.0,"Invalid WP multiplicities - A5B2_oP7_47_afg2j_bc:O-P, expected P2O7 to be P2O5" +mp-2173,P2O5,-7.5145679354,-2.4345609968,0.0052077268,-0.235030163,GGA,Pnma,A5B2_oP28_62_3cd_2c:O-P,28.0,A5B2_oP28_62_3cd_2c:O-P +mp-562613,P2O5,-7.5093325711,-2.4293256326,0.0104430911,-0.2297947987,GGA,R3c,A5B2_hR84_161_a3b_ab:O-P,28.0,A5B2_hR84_161_a3b_ab:O-P +mp-1172859,P2O5,-5.7125064775,-0.632499539,1.8072691846,1.5670312949,GGA,R3c,A5B2_hR84_161_a3b_ab:O-P,28.0,"Invalid WP multiplicities - A5B2_hR84_161_2a13b_2a3b:O-P, expected P11O41 to be P2O5" +mp-726666,PO4,-6.3666098235,-1.3265983532,0.3812397534,0.3812397534,GGA,P2_1/c,A4B_mP20_14_4e_e:O-P,20.0,A4B_mP20_14_4e_e:O-P +mp-1210362,PO4,-5.9236644962,-0.8836530259,0.8241850806000001,0.8241850806000001,GGA,Pccn,A4B_oP40_56_4e_e:O-P,40.0,A4B_oP40_56_4e_e:O-P +mp-1201299,P2O9,-6.0476307439,-1.0161031607,0.5364769361,0.5364769361,GGA,P2_1/c,A9B2_mP44_14_9e_2e:O-P,44.0,A9B2_mP44_14_9e_2e:O-P +mp-31272,P2O9,-5.9037684532,-0.8722408700000001,0.6803392268,0.6803392268,GGA,P2_12_12_1,A9B2_oP88_19_18a_4a:O-P,88.0,A9B2_oP88_19_18a_4a:O-P +mp-368,P2O3,-7.094603258,-1.9612690286,0.0881366993,0.0881366993,GGA,P2_1/m,A3B2_mP20_11_2e2f_2ef:O-P,20.0,"Invalid WP multiplicities - A3B2_mP20_11_2e3f_2ef:O-P, expected PO2 to be P2O3" +mp-1209592,PO3,-7.0040810175,-1.9407388574,0.1940587758,0.1940587758,GGA,Cmce,A3B_oC64_64_2f2g_df:O-P,32.0,A3B_oC64_64_2f2g_df:O-P +mp-542622,P4O7,-7.2486754773,-2.1323090222,0.0413031134,0.0413031134,GGA,P2_1/c,A7B4_mP44_14_7e_4e:O-P,44.0,"Invalid WP multiplicities - A7B4_mP44_14_25e_12e:O-P, expected P12O25 to be P4O7" +mp-541846,P4O9,-7.4490496215,-2.3587874348,0.005911482,0.005911482,GGA,R-3c,A9B4_hR156_167_3f_cf:O-P,52.0,A9B4_hR156_167_3f_cf:O-P +mp-9646,La(PO3)3,-8.0668750481,-3.0133278922,0.0,-0.0144071194,GGA,C222_1,AB9C3_oC52_20_a_b4c_ac:La-O-P,26.0,AB9C3_oC52_20_a_b4c_ac:La-O-P +mp-780003,La2P4O13,-8.184053112600001,-3.1402542977,0.0281503683,0.0281503683,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:La-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:La-O-P, expected LaP5O17 to be La2P4O13" +mp-780361,La2P4O13,-8.1788909412,-3.1350921263,0.0333125398,0.0333125398,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:La-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:La-O-P, expected La7(P5O17)3 to be La2P4O13" +mp-771338,La2P4O13,-8.2062981626,-3.1624993477,0.0059053183,0.0059053183,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:La-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e23f_3f:La-O-P, expected La(PO8)3 to be La2P4O13" +mp-771240,La2P4O13,-8.2087374834,-3.1649386685,0.0034659975,0.0034659975,GGA,C222_1,A2B13C4_oC76_20_c_a6c_2c:La-O-P,38.0,"Invalid WP multiplicities - A2B13C4_oC76_20_c_2a11c_3c:La-O-P, expected La(PO4)3 to be La2P4O13" +mp-779590,La3PO7,-8.6883319526,-3.7021369707,0.0,-0.029322569,GGA,Cm,A3B7C_mC132_8_9b_12a15b_6a:La-O-P,66.0,A3B7C_mC132_8_9b_12a15b_6a:La-O-P +mp-3962,LaPO4,-8.5262008642,-3.5035234547,0.0008808881,-0.1416120754,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:La-O-P,24.0,AB4C_mP24_14_e_4e_e:La-O-P +mp-1191252,LaPO4,-8.4942163792,-3.4715389697,0.0328653731,-0.1096275904,GGA,Pnma,AB4C_oP24_62_c_2cd_c:La-O-P,24.0,AB4C_oP24_62_c_2cd_c:La-O-P +mp-1019898,LaPO4,-8.5054820775,-3.4828046681,0.0215996747,-0.1208932887,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:La-O-P,12.0,AB4C_tI24_141_a_h_b:La-O-P +mp-8133,LaPO4,-8.5270817522,-3.5044043428,0.0,-0.1424929634,GGA,P6_222,AB4C_hP18_180_c_k_d:La-O-P,18.0,AB4C_hP18_180_c_k_d:La-O-P +mp-1192037,LaP3O7,-7.7409162132,-2.6679402492,0.2333804764,0.2333804764,GGA,P-1,AB7C3_aP22_2_i_7i_3i:La-O-P,22.0,AB7C3_aP22_2_i_7i_3i:La-O-P +mp-1095626,La2P2AuO,-6.7017557675,-1.8818907784,0.0,-0.0762827071,GGA,C2/m,AB2CD2_mC24_12_i_2i_i_2i:Au-La-O-P,12.0,AB2CD2_mC24_12_i_2i_i_2i:Au-La-O-P +mp-561700,LaP5O14,-7.9036830224,-2.8408749426,0.0003288294,-0.0282927594,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:La-O-P,80.0,"Invalid WP multiplicities - AB14C5_mP80_14_e_54e_18e:La-O-P, expected La(PO3)18 to be LaP5O14" +mp-1204624,LaP5O14,-7.9040118517,-2.841203772,0.0,-0.0286215888,GGA,Pmna,AB14C5_oP80_53_h_2h6i_efhi:La-O-P,80.0,AB14C5_oP80_53_h_2h6i_efhi:La-O-P +mp-1211806,LaP3Au2,-4.9942966179,-0.3736835138,0.2159954434,0.2159954434,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:Au-La-P,24.0,A2BC3_oP24_62_2c_c_3c:Au-La-P +mp-1213236,LaP3O14,-6.7474607532,-1.7235964986,0.452695868,0.452695868,GGA,P2_12_12,AB14C3_oP72_18_c_14c_3c:La-O-P,72.0,AB14C3_oP72_18_c_14c_3c:La-O-P +mp-1095283,PAuO4,-6.5057421633,-1.7600856047,0.0,-0.1457968612,GGA,C2/c,AB4C_mC24_15_c_2f_e:Au-O-P,12.0,AB4C_mC24_15_a_2f_e:Au-O-P +mp-554787,RbMoIO6,-6.4189169981,-1.6433966869,0.0,-0.0148229531,GGA+U,Pna2_1,ABC6D_oP36_33_a_a_6a_a:I-Mo-O-Rb,36.0,"Invalid WP multiplicities - ABC6D_oP36_33_a_a_22a_a:I-Mo-O-Rb, expected RbMoIO22 to be RbMoIO6" +mp-557228,Rb2Mo(IO3)6,-5.26913217,-1.1696020531,0.0,-0.0018425416,GGA+U,R-3,A6BC18D2_hR81_148_f_a_3f_c:I-Mo-O-Rb,27.0,"Invalid WP multiplicities - A6BC18D2_hR81_148_f_a_14f_c:I-Mo-O-Rb, expected Rb2Mo(IO14)6 to be Rb2Mo(IO3)6" +mp-1214553,Ba2ZnP2F,-3.351467325,-0.3788377465,1.2611408451,1.2611408451,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Ba-F-P-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:Ba-F-P-Zn +mp-7426,Ba(ZnP)2,-3.702982804,-0.6499693693,0.0,-0.1324438808,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-P-Zn,5.0,AB2C2_tI10_139_a_e_d:Ba-P-Zn +mp-760410,BePO4,-7.362291585,-2.5390465489,0.0642952722,0.0642952722,GGA,I-4,AB4C_tI12_82_a_g_c:Be-O-P,6.0,AB4C_tI12_82_a_g_c:Be-O-P +mp-1208193,TlPO6,-5.7564036913,-1.0743939511,0.4714076484,0.4714076484,GGA,Pbca,A6BC_oP64_61_6c_c_c:O-P-Tl,64.0,A6BC_oP64_61_6c_c_c:O-P-Tl +mp-734337,TlPO4,-6.5891068508,-1.9953234344,0.065745365,-0.1114133677,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Tl,24.0,A4BC_mP24_14_4e_e_e:O-P-Tl +mp-13676,TlPO4,-6.6548522158,-2.0610687994,0.0,-0.1771587327,GGA,Cmcm,A4BC_oC24_63_fg_c_a:O-P-Tl,12.0,A4BC_oC24_63_fg_c_a:O-P-Tl +mp-1194829,Tl2PO3,-6.0303933673,-1.8672842117,0.0289149226,0.0289149226,GGA,Pbca,A3BC2_oP48_61_3c_c_2c:O-P-Tl,48.0,A3BC2_oP48_61_3c_c_2c:O-P-Tl +mp-5709,Tl3PO4,-5.9346106625,-1.8986123135,0.0,-0.1780288284,GGA,P6_3,A4BC3_hP16_173_bc_b_c:O-P-Tl,16.0,"Invalid WP multiplicities - A4BC3_hP16_173_2b3c_b_c:O-P-Tl, expected Tl3PO11 to be Tl3PO4" +mp-752393,Be2P2O7,-7.5740022695,-2.7619793857,0.0780298736,0.0780298736,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:Be-O-P,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_2e11f_f:Be-O-P, expected BePO12 to be Be2P2O7" +mp-779622,Be2P2O7,-7.5681046162,-2.7560817324,0.083927527,0.083927527,GGA,C2/c,A2B7C2_mC132_15_3f_e10f_3f:Be-O-P,66.0,"Invalid WP multiplicities - A2B7C2_mC132_15_9f_2e39f_9f:Be-O-P, expected Be9P9O40 to be Be2P2O7" +mp-779108,Be2P2O7,-7.6335030933,-2.8214802095,0.0185290499,0.0185290499,GGA,Pbcm,A2B7C2_oP88_57_2e_c3d5e_2de:Be-O-P,88.0,"Invalid WP multiplicities - A2B7C2_oP88_57_3e_2c5d10e_4de:Be-O-P, expected Be2P2O9 to be Be2P2O7" +mp-27588,Be(PO3)2,-7.6976964556,-2.7814575505,0.0,-0.1084206966,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Be-O-P,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_13e_3e:Be-O-P, expected BeP3O13 to be Be(PO3)2" +mp-560521,Be(PO3)2,-7.6944101908,-2.7781712857,0.0032862647,-0.1051344319,GGA,C222_1,AB6C2_oC72_20_c_6c_abc:Be-O-P,36.0,"Invalid WP multiplicities - AB6C2_oC72_20_c_18c_2ab3c:Be-O-P, expected Be2(PO4)9 to be Be(PO3)2" +mp-556932,TlPO3,-6.7714468678,-2.2482445103,0.0124475697,-0.0970925388,GGA,Pbcn,A3BC_oP120_60_9d_3d_3d:O-P-Tl,120.0,"Invalid WP multiplicities - A3BC_oP120_60_66d_15d_18d:O-P-Tl, expected Tl6P5O22 to be TlPO3" +mp-27144,TlPO3,-6.7838944375,-2.2606920801,0.0,-0.1095401085,GGA,P-42_1c,A3BC_tP40_114_3e_e_cd:O-P-Tl,40.0,A3BC_tP40_114_3e_e_cd:O-P-Tl +mp-1227516,BeTlPO4,-7.07262936,-2.6008988795,0.0,-0.0944234386,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Be-O-P-Tl,28.0,AB4CD_oP28_33_a_4a_a_a:Be-O-P-Tl +mp-725925,Tl2PO4,-6.0982397954,-1.8231907032,0.1450458186,0.1450458186,GGA,Pc,A4BC2_mP28_7_8a_2a_4a:O-P-Tl,28.0,A4BC2_mP28_7_8a_2a_4a:O-P-Tl +mp-1237663,Tl2PO4,-6.1750998829,-1.9000507907,0.0681857311,0.0681857311,GGA,Pc,A4BC2_mP28_7_8a_2a_4a:O-P-Tl,28.0,A4BC2_mP28_7_8a_2a_4a:O-P-Tl +mp-1193794,Tl2PO4,-6.1427633682,-1.8677142761,0.1005222457,0.1005222457,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:O-P-Tl,28.0,A4BC2_oP28_62_2cd_c_2c:O-P-Tl +mp-16847,K3Na2SnP3,-3.3108618822,-0.3968922375,0.0,-0.0297934163,GGA,Cmce,A3B2C3D_oC72_64_fg_2d_fg_d:K-Na-P-Sn,36.0,"Invalid WP multiplicities - A3B2C3D_oC72_64_2f2g_2d_2f2g_d:K-Na-P-Sn, expected K6Na2SnP6 to be K3Na2SnP3" +mp-1097400,KNa2P,-1.43583486,0.8563531501,1.150211061,1.150211061,GGA,Immm,AB2C_oI8_71_a_e_b:K-Na-P,4.0,AB2C_oI8_71_a_e_b:K-Na-P +mp-1201513,K3AlF6,-5.2827618474,-3.4281971998,0.0,-0.0281410544,GGA,I4/m,AB6C3_tI100_87_ah_e5hi_bdhi:Al-F-K,50.0,AB6C3_tI100_87_ah_e5hi_bdhi:Al-F-K +mp-1095079,K3AlF6,-5.271642291,-3.4170776434,0.0111195564,-0.017021498,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-F-K,10.0,AB6C3_cF40_225_a_e_bc:Al-F-K +mp-9486,K2AlF5,-5.4565611212,-3.5160900511,0.0,-0.003467446,GGA,P4/mmm,AB5C2_tP8_123_a_bj_e:Al-F-K,8.0,"Invalid WP multiplicities - AB5C2_tP8_123_a_b2j_e:Al-F-K, expected K2AlF9 to be K2AlF5" +mp-7483,KHgF3,-3.63507531,-2.2053720671,0.0,-0.006887498,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Hg-K,5.0,A3BC_cP5_221_c_b_a:F-Hg-K +mp-1112209,K2AlHgF6,-4.730293675,-2.9564008856,0.1403924385,0.1403924385,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Hg-K +mp-561424,KAlF4,-5.736980055,-3.6533316138,0.0,-0.0191483288,GGA,P2_1/m,AB4C_mP24_11_ac_2e3f_2e:Al-F-K,24.0,"Invalid WP multiplicities - AB4C_mP24_11_ad_4e8f_4e:Al-F-K, expected K2AlF10 to be KAlF4" +mp-1202082,KAlF4,-5.7306283779000005,-3.6469799367,0.0063516771,-0.0127966517,GGA,Pnma,AB4C_oP48_62_d_2c3d_2c:Al-F-K,48.0,AB4C_oP48_62_d_2c3d_2c:Al-F-K +mp-5347,KAlF4,-5.719602535,-3.6359540938,0.01737752,-0.0017708088,GGA,P4/mmm,AB4C_tP6_123_b_eg_c:Al-F-K,6.0,AB4C_tP6_123_b_eg_c:Al-F-K +mp-2910,KAlF4,-5.7238315075,-3.6401830663,0.0131485475,-0.0059997813,GGA,P4/mbm,AB4C_tP12_127_a_eg_c:Al-F-K,12.0,AB4C_tP12_127_a_eg_c:Al-F-K +mp-1223142,La2U3O11,-9.7382946887,-3.6033059348,0.2400349763,0.2400349763,GGA,Immm,A2B11C3_oI32_71_e_cg2n_be:La-O-U,16.0,"Invalid WP multiplicities - A2B11C3_oI32_71_e_c2g4n_b2e:La-O-U, expected La2U5O21 to be La2U3O11" +mp-760513,La2UO6,-9.5423846956,-3.8931006414,0.0,-0.0496243944,GGA,Immm,A2B6C_oI18_71_e_gn_b:La-O-U,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g3n_b:La-O-U, expected La2UO16 to be La2UO6" +mp-753581,LaUO4,-9.8709600033,-3.86859801,0.0499682167,0.0195174975,GGA,P4/mmm,AB4C_tP6_123_a_i_d:La-O-U,6.0,AB4C_tP6_123_a_i_d:La-O-U +mp-1222723,LaUO4,-9.92092822,-3.9185662267,0.0,-0.0304507192,GGA,R-3m,AB4C_hR18_166_a_2c_b:La-O-U,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:La-O-U, expected LaUO6 to be LaUO4" +mp-19992,La6UO12,-9.2177109247,-3.9404626524,0.0,-0.0569378893,GGA,R-3,A6B12C_hR57_148_f_2f_a:La-O-U,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_4f_a:La-O-U, expected La6UO24 to be La6UO12" +mp-1205700,Ba2LaUO6,-8.542940125,-3.5683901988,0.0,-0.0065578652,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-U +mp-673814,La3U2O10,-9.7032208313,-3.9127056015,0.0,-0.009418726,GGA,P-1,A3B10C2_aP30_2_ac2i_10i_2i:La-O-U,30.0,"Invalid WP multiplicities - A3B10C2_aP30_2_ac3i_19i_3i:La-O-U, expected La4U3O19 to be La3U2O10" +mp-676517,La3U2O10,-9.688895028,-3.8983797982,0.0143258033,0.0049070773,GGA,C2/m,A3B10C2_mC30_12_ai_h2j_i:La-O-U,15.0,"Invalid WP multiplicities - A3B10C2_mC30_12_a2i_2h5j_i:La-O-U, expected La5U2O24 to be La3U2O10" +mp-1222734,LaU2O6,-10.20257195,-3.8471320175,0.0156762789,0.0156762789,GGA,Immm,AB6C2_oI18_71_a_fn_g:La-O-U,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2f2n_g:La-O-U, expected LaU2O12 to be LaU2O6" +mp-1079889,ZnAg2SnS4,-4.0590991675,-0.6240708001,0.0,-0.0066830674,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Ag-S-Sn-Zn,8.0,A2B4CD_tI16_121_d_i_a_b:Ag-S-Sn-Zn +mp-555093,CuB4O7,-7.9104785146,-2.4568456202,0.0471895721,0.0471895721,GGA,Cmcm,A4BC7_oC48_63_eg_c_cgh:B-Cu-O,24.0,"Invalid WP multiplicities - A4BC7_oC48_63_3e3g_c_2c3g3h:B-Cu-O, expected Cu(B3O5)4 to be CuB4O7" +mp-1096940,CuBO2,-6.528312305,-1.3603183392,0.6464721454,0.6464721454,GGA,R-3m,ABC2_hR12_166_a_b_c:B-Cu-O,4.0,ABC2_hR12_166_a_b_c:B-Cu-O +mp-1196064,Cu2BO6,-5.8999439561,-0.9490620252,0.2916614346,0.2916614346,GGA,Pnma,AB2C6_oP36_62_c_d_4cd:B-Cu-O,36.0,AB2C6_oP36_62_c_d_4cd:B-Cu-O +mp-1198383,Ho2B3O8,-8.5123073919,-3.221807181,0.0632820579,0.0632820579,GGA,Pbcn,A3B2C8_oP52_60_cd_d_4d:B-Ho-O,52.0,A3B2C8_oP52_60_cd_d_4d:B-Ho-O +mp-1226691,Cu3(BO3)2,-6.7842368230000005,-1.7536426576,0.0489071819,0.0489071819,GGA,P2_1,A2B3C6_mP132_4_12a_18a_36a:B-Cu-O,132.0,A2B3C6_mP132_4_12a_18a_36a:B-Cu-O +mp-757752,Ho9B4O19,-8.7285208609,-3.6676979726,0.0546266994,0.0546266994,GGA,P-1,A4B9C19_aP64_2_4i_9i_19i:B-Ho-O,64.0,"Invalid WP multiplicities - A4B9C19_aP64_2_8i_16i_37i:B-Ho-O, expected Ho16B8O37 to be Ho9B4O19" +mp-554184,Ho2Cu(BO2)8,-8.3497134491,-2.9480031544000003,0.0169161698,0.0169161698,GGA,Pbam,A8BC2D16_oP54_55_fgi_b_e_gh3i:B-Cu-Ho-O,54.0,"Invalid WP multiplicities - A8BC2D16_oP54_55_4f2g3i_b_e_4g4h22i:B-Cu-Ho-O, expected Ho2Cu(B3O13)8 to be Ho2Cu(BO2)8" +mp-680713,Ho(BO2)3,-8.6299965389,-3.1999248939,0.0,-0.0200793417,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Ho-O,160.0,"Invalid WP multiplicities - A3BC6_oP160_62_37d_13c_24c66d:B-Ho-O, expected Ho13(B37O78)2 to be Ho(BO2)3" +mp-17714,Ho4(B2O5)3,-8.6822741154,-3.3780214445,0.038471364,0.038471364,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-Ho-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_3f_2f_e11f:B-Ho-O, expected Ho4B6O23 to be Ho4(B2O5)3" +mp-18259,Ho2Cu(B2O5)2,-8.2871678753,-3.0254926632,0.0151231138,0.0151231138,GGA,P2_1/c,A4BC2D10_mP34_14_2e_a_e_5e:B-Cu-Ho-O,34.0,"Invalid WP multiplicities - A4BC2D10_mP34_14_2e_a_e_8e:B-Cu-Ho-O, expected Ho2Cu(BO4)4 to be Ho2Cu(B2O5)2" +mp-1213378,Cu3BO5,-6.2725752353,-1.4158579756,0.0221627097,0.0221627097,GGA,P2_1/c,AB3C5_mP36_14_e_ad2e_5e:B-Cu-O,36.0,AB3C5_mP36_14_e_ad2e_5e:B-Cu-O +mp-1213419,Cu3BO5,-6.2822919036,-1.4255746439,0.0124460414,0.0124460414,GGA,P2_1/c,AB3C5_mP36_14_e_ad2e_5e:B-Cu-O,36.0,AB3C5_mP36_14_e_ad2e_5e:B-Cu-O +mp-1184042,CuBO3,-5.821350108,-0.6976171931,1.1187388423,1.1187388423,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Cu-O,5.0,ABC3_cP5_221_b_a_c:B-Cu-O +mp-850193,HoBO3,-8.748231234,-3.5278578791,0.033013539,-0.0404348322,GGA,P-1,ABC3_aP20_2_2i_2i_6i:B-Ho-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_3i_3i_11i:B-Ho-O, expected Ho3B3O11 to be HoBO3" +mp-780393,HoBO3,-8.7221348353,-3.5017614804,0.0591099377,-0.0143384335,GGA,P-1,ABC3_aP60_2_6i_6i_18i:B-Ho-O,60.0,"Invalid WP multiplicities - ABC3_aP60_2_11i_11i_35i:B-Ho-O, expected Ho11B11O35 to be HoBO3" +mp-753056,HoBO3,-8.692011009,-3.4716376541,0.089233764,0.0157853928,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Ho-O,10.0,"Invalid WP multiplicities - ABC3_oC20_40_b_a_2b2c:B-Ho-O, expected HoBO6 to be HoBO3" +mp-752713,HoBO3,-8.781244773000001,-3.5608714181,0.0,-0.0734483712,GGA,Cmcm,ABC3_oC60_63_cg_ae_cfgh:B-Ho-O,30.0,"Invalid WP multiplicities - ABC3_oC60_63_c2g_a2e_2c2f2g2h:B-Ho-O, expected Ho5B5O18 to be HoBO3" +mp-754409,HoBO3,-8.75474245,-3.5343690951,0.026502323,-0.0469460482,GGA,R-3c,ABC3_hR30_167_a_b_e:B-Ho-O,10.0,ABC3_hR30_167_a_b_e:B-Ho-O +mp-1184546,HoBO3,-7.910179908,-2.6898065531,0.871064865,0.7976164938,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ho-O,5.0,ABC3_cP5_221_b_a_c:B-Ho-O +mp-1203590,Ho(BO2)6,-8.1272978574,-2.6526123821,0.1363558592,0.1363558592,GGA,R3c,A6BC12_hR114_161_2b_a_4b:B-Ho-O,38.0,A6BC12_hR114_161_2b_a_4b:B-Ho-O +mp-768301,Ho2B4O9,-8.6497233573,-3.2895511424,0.0306892596,0.0306892596,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-Ho-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_7i_3i_17i:B-Ho-O, expected Ho3B7O17 to be Ho2B4O9" +mp-647283,Ho2B4O9,-8.6381072595,-3.2779350446,0.0423053574,0.0423053574,GGA,C2/c,A4B2C9_mC300_15_10f_5f_e22f:B-Ho-O,150.0,"Invalid WP multiplicities - A4B2C9_mC300_15_39f_16f_2e84f:B-Ho-O, expected Ho16B39O85 to be Ho2B4O9" +mp-4870,Cu(BO2)2,-7.6141527048,-2.2934748395,0.0,-0.024766181,GGA,I-42d,A2BC4_tI84_122_de_ad_2d2e:B-Cu-O,42.0,A2BC4_tI84_122_de_ad_2d2e:B-Cu-O +mp-1022636,CsYMg6,-1.8322878531,0.2881563701,0.3426774808,0.3426774808,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cs-Mg-Y, expected CsYMg12 to be CsYMg6" +mp-1022793,CsYMg6,-1.8448578888,0.2755863344,0.3301074452,0.3301074452,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Y, expected CsYMg12 to be CsYMg6" +mp-1028083,CsYMg14,-1.6970739744,0.1632881622,0.2027139225,0.2027139225,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Y, expected CsYMg18 to be CsYMg14" +mp-1028044,CsYMg14,-1.7095879188,0.1507742178,0.1901999782,0.1901999782,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Y, expected CsYMg26 to be CsYMg14" +mp-1032578,CsYMg6O8,-5.9032454519,-2.3696789847,0.6580823481,0.6580823481,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cs-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cs-Mg-O-Y, expected CsYMg6O12 to be CsYMg6O8" +mp-1032629,CsYMg6O8,-5.9857500206,-2.4521835534,0.5755777794,0.5755777794,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cs-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cs-Mg-O-Y, expected CsYMg6O12 to be CsYMg6O8" +mp-1178475,Cs5YO4,-4.9657609948,-1.8927372129,0.0004643158,0.0004643158,GGA,P2_1/c,A5B4C_mP40_14_5e_4e_e:Cs-O-Y,40.0,"Invalid WP multiplicities - A5B4C_mP40_14_9e_11e_e:Cs-O-Y, expected Cs9YO11 to be Cs5YO4" +mp-769228,Cs5YO4,-4.9522174225,-1.8791936406,0.014007888,0.014007888,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Cs-O-Y,20.0,"Invalid WP multiplicities - A5B4C_oP20_59_2a3g_2e3f_b:Cs-O-Y, expected Cs14YO10 to be Cs5YO4" +mp-1024046,YMg3O4,-6.6982040125,-2.816445749,0.3347879633,0.3347879633,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Y,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Y, expected YMg3O7 to be YMg3O4" +mp-771163,CsY3O5,-8.5145925828,-3.5114526641,0.0056712249,0.0056712249,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Cs-O-Y,36.0,"Invalid WP multiplicities - AB5C3_oP36_62_c_17c_9c:Cs-O-Y, expected CsY9O17 to be CsY3O5" +mp-1036040,CsYMg14O16,-6.1147308075,-2.7112053836000003,0.3296954325,0.3296954325,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cs-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cs-Mg-O-Y, expected CsYMg18O20 to be CsYMg14O16" +mp-1035953,CsYMg14O16,-6.1389005784,-2.7353751545,0.3055256616,0.3055256616,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cs-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cs-Mg-O-Y, expected CsYMg30O32 to be CsYMg14O16" +mp-1037669,CsYMg30O32,-6.236707533,-2.8982026307,0.149267927,0.149267927,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cs-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cs-Mg-O-Y, expected CsYMg90O80 to be CsYMg30O32" +mp-1037012,CsYMg30O32,-6.2504419234,-2.9119370212,0.1355335366,0.1355335366,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cs-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cs-Mg-O-Y, expected CsYMg110O72 to be CsYMg30O32" +mp-541044,CsYO2,-7.26273716,-2.948924433,0.0,-0.0134289994,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-O-Y,8.0,AB2C_hP8_194_c_f_a:Cs-O-Y +mp-755541,Cs3YO3,-5.6120532586,-2.1845183495,0.010460645,0.0101759443,GGA,C2/m,A3B3C_mC28_12_ghi_ij_i:Cs-O-Y,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_gh2i_2ij_i:Cs-O-Y, expected Cs4YO4 to be Cs3YO3" +mp-770815,Cs3YO3,-5.6225139036,-2.1949789945,0.0,-0.0002847007,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Cs-O-Y,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:Cs-O-Y, expected Cs9YO9 to be Cs3YO3" +mp-8308,Ca3Ni7B2,-5.3226276133,-0.3362492849,0.0,-0.0265878383,GGA,R-3m,A2B3C7_hR36_166_c_ac_bh:B-Ca-Ni,12.0,A2B3C7_hR36_166_c_ac_bh:B-Ca-Ni +mp-30315,Ca3BN3,-6.6250399671,-1.2385147977,0.0,-0.0455743241,GGA,P4/mmm,AB3C3_tP7_123_b_ah_cg:B-Ca-N,7.0,AB3C3_tP7_123_b_ah_cg:B-Ca-N +mp-1245874,Ca3B3N5,-7.2765184709,-1.1185685093,0.2411546109,0.2411546109,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:B-Ca-N,22.0,A3B3C5_aP22_2_3i_3i_5i:B-Ca-N +mp-1079500,CaNiBN,-6.6662841763,-0.9658783623,0.0,-0.0607413686,GGA,P4/nmm,ABCD_tP8_129_c_c_c_a:B-Ca-N-Ni,8.0,ABCD_tP8_129_c_c_c_a:B-Ca-N-Ni +mp-28170,Ca5Ni15B4,-5.4696138990000005,-0.3259632038,0.0,-0.0060149048,GGA,P6_3/mmc,A4B5C15_hP48_194_ef_c2f_abd2k:B-Ca-Ni,48.0,"Invalid WP multiplicities - A4B5C15_hP48_194_ef_c2f_abd3k:B-Ca-Ni, expected Ca5Ni21B4 to be Ca5Ni15B4" +mp-1193221,Ca2(Ni7B2)3,-5.9492116152,-0.2433350405,0.0273312545,0.0273312545,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Ca-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Ca-Ni +mp-21312,Ca(Ni2B)6,-6.2193704905,-0.3539183503,0.0,-0.0514518467,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Ca-Ni,19.0,"Invalid WP multiplicities - A6BC12_hR57_166_h_a_2g2h:B-Ca-Ni, expected Ca(Ni4B)6 to be Ca(Ni2B)6" +mp-1213996,Ca5(BN2)3,-6.9758016671,-1.2554342198,0.033943737,0.033943737,GGA,Im-3m,A3B5C6_cI28_229_b_ac_e:B-Ca-N,14.0,A3B5C6_cI28_229_b_ac_e:B-Ca-N +mp-531265,Ca3(BN2)2,-7.1925956157,-1.3346441844,0.0024885115,-0.0466037796,GGA,Pnnm,A2B3C4_oP54_58_gh_abcgh_2g2h:B-Ca-N,54.0,"Invalid WP multiplicities - A2B3C4_oP54_58_4g5h_2a2b2c4g6h_8g14h:B-Ca-N, expected Ca19(B7N18)2 to be Ca3(BN2)2" +mp-1227905,Ca3(BN2)2,-7.1950841272,-1.3371326959,0.0,-0.0490922911,GGA,Cmce,A2B3C4_oC108_64_cef_a2fg_2f2g:B-Ca-N,54.0,A2B3C4_oC108_64_cef_a2fg_2f2g:B-Ca-N +mp-8307,CaNi4B,-5.604570375,-0.3036473132,0.0,-0.0078304602,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Ca-Ni,12.0,"Invalid WP multiplicities - ABC4_hP12_191_c_ab_d2i:B-Ca-Ni, expected CaNi7B to be CaNi4B" +mp-989540,Sr6Sn2NO,-4.304687842,-1.1607590354,0.0,-0.0008319597,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:N-O-Sn-Sr,10.0,ABC2D6_cF40_225_a_b_c_e:N-O-Sn-Sr +mp-1245651,Sr2SnN2,-5.37156578,-0.5592560577,0.151548791,0.151548791,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Sn-Sr,5.0,A2BC2_tI10_139_e_a_e:N-Sn-Sr +mp-1245859,Sr5(SnN3)2,-5.7104015535,-0.5961261283,0.1200254365,0.1200254365,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Sn-Sr,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Sn-Sr +mp-4157,Sr(NO3)2,-6.9110855989,-1.5730172021,0.0,-0.3794964389,GGA,Pa-3,A2B6C_cP36_205_c_d_a:N-O-Sr,36.0,A2B6C_cP36_205_c_d_a:N-O-Sr +mp-30989,Sn(NO3)4,-6.6380653772,-0.9488997249,0.0,-0.0684507268,GGA,P2_1/c,A4B12C_mP68_14_4e_12e_e:N-O-Sn,68.0,"Invalid WP multiplicities - A4B12C_mP68_14_5e_17e_e:N-O-Sn, expected SnN5O17 to be Sn(NO3)4" +mp-776966,Sn2N2O,-6.5101634303,-0.582398976,0.0697364438,0.0697364438,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-788130,Sn2N2O,-3.694706861,2.2330575933,2.8851930130000003,2.8851930130000003,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-777302,Sn2N2O,-6.5127011415,-0.5849366872,0.0671987325,0.0671987325,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-777314,Sn2N2O,-6.5173010788,-0.5895366245,0.0625987953,0.0625987953,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-758863,Sn2N2O,-6.5064460073,-0.578681553,0.0734538668,0.0734538668,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-773830,Sn2N2O,-6.5077425123,-0.579978058,0.0721573618,0.0721573618,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-773817,Sn2N2O,-6.515038849,-0.5872743947,0.064861025,0.064861025,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-773831,Sn2N2O,-6.5120663702,-0.584301916,0.0678335038,0.0678335038,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-762250,Sn2N2O,-6.5101224065,-0.5823579522,0.0697774675,0.0697774675,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-851809,Sn2N2O,-3.4754842023,2.452280252,3.1044156718,3.1044156718,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-762347,Sn2N2O,-6.5070230958,-0.5792586415000001,0.0728767783,0.0728767783,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-766117,Sn2N2O,-6.502911424,-0.5751469697,0.07698845,0.07698845,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-1354560,Sn2N2O,-3.375564649,2.5521998053,3.204335225,3.204335225,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-1357473,Sn2N2O,-3.4186178772,2.509146577,3.1612819968,3.1612819968,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Sn,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Sn +mp-1101402,Sn2N2O,-6.537394637,-0.6096301827,0.042505237,0.042505237,GGA,I4_1/amd,A2BC2_tI80_141_2h_h_ceh:N-O-Sn,40.0,"Invalid WP multiplicities - A2BC2_tI80_141_9h_h_2c2e4h:N-O-Sn, expected Sn6N9O to be Sn2N2O" +mp-777394,Sn2N2O,-6.53492334,-0.6071588857,0.044976534,0.044976534,GGA,P-3m1,A2BC2_hP40_164_cd2i_di_ac2dfi:N-O-Sn,40.0,"Invalid WP multiplicities - A2BC2_hP40_164_c2d8i_2d3i_a2c4d3f2i:N-O-Sn, expected Sn17N27O11 to be Sn2N2O" +mp-1246073,Sr4SnN4,-5.5866552717,-0.685152453,0.0228012565,0.0228012565,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Sn-Sr,18.0,A4BC4_aP18_2_4i_i_4i:N-Sn-Sr +mp-1246043,Sr4SnN4,-5.5055792378,-0.6040764191,0.1038772904,0.1038772904,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:N-Sn-Sr,36.0,A4BC4_oP36_62_4c_c_4c:N-Sn-Sr +mp-1179355,Sr(NO5)2,-6.007482105,-0.7898382269,0.2991736823,0.2991736823,GGA,C2/c,A2B10C_mC52_15_f_5f_e:N-O-Sr,26.0,A2B10C_mC52_15_f_5f_e:N-O-Sr +mp-1193139,Sr(NO5)2,-6.0042780835,-0.7866342053000001,0.3023777038,0.3023777038,GGA,C2/c,A2B10C_mC52_15_f_5f_e:N-O-Sr,26.0,A2B10C_mC52_15_f_5f_e:N-O-Sr +mp-1247246,SrSnN2,-6.051251745,-0.4582379554,0.0987765935,0.0987765935,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:N-Sn-Sr,16.0,A2BC_mP16_14_2e_e_e:N-Sn-Sr +mp-1246034,SrSnN2,-6.0146502338,-0.4216364442,0.1353781048,0.1353781048,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Sn-Sr,8.0,A2BC_tP8_129_ac_c_c:N-Sn-Sr +mp-1247407,SrSn7N10,-6.245089285,0.0394354755,0.2331727278,0.2331727278,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Sn-Sr,36.0,A10B7C_mP36_7_10a_7a_a:N-Sn-Sr +mp-1080076,Sr2NO6,-6.2361666378,-1.6366539601,0.2530074117,0.2530074117,GGA,P-62m,AB6C2_hP9_189_a_fg_c:N-O-Sr,9.0,AB6C2_hP9_189_a_fg_c:N-O-Sr +mp-1218874,Sr12Sn4N3,-3.8965593853,-0.6691018255,0.0,-0.0153818939,GGA,P4/mmm,A3B4C12_tP19_123_ag_2h_ef2gi:N-Sn-Sr,19.0,"Invalid WP multiplicities - A3B4C12_tP19_123_a2g_2h_2e2f2g4i:N-Sn-Sr, expected Sr28Sn4N5 to be Sr12Sn4N3" +mp-1246791,Sr7SnN6,-5.371913975,-0.6679857194000001,0.0322527526,0.0322527526,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Sn-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-Sn-Sr +mp-23409,Pr12C6I17,-5.2915186214,-1.3546589081,0.0,-0.0063952929,GGA,C2/c,A6B17C12_mC140_15_3f_a8f_6f:C-I-Pr,70.0,A6B17C12_mC140_15_3f_c8f_6f:C-I-Pr +mp-567940,RbPr6(CI6)2,-4.6810892857,-1.5475799625,0.0,-0.0214350814,GGA,P-1,A2B12C6D_aP21_2_i_6i_3i_a:C-I-Pr-Rb,21.0,"Invalid WP multiplicities - A2B12C6D_aP21_2_i_10i_4i_a:C-I-Pr-Rb, expected RbPr8(CI10)2 to be RbPr6(CI6)2" +mp-645425,Pr7C3I10,-5.1811851985,-1.3868851854,0.0,-0.0208357322,GGA,P-1,A3B10C7_aP40_2_3i_10i_7i:C-I-Pr,40.0,"Invalid WP multiplicities - A3B10C7_aP40_2_6i_19i_13i:C-I-Pr, expected Pr13C6I19 to be Pr7C3I10" +mp-1042407,CuW2O7,-8.1676710308,-1.70344222,0.2386958594,0.2386958594,GGA+U,P2/c,AB7C2_mP60_13_eg_f10g_3g:Cu-O-W,60.0,"Invalid WP multiplicities - AB7C2_mP60_13_2e3g_2f38g_9g:Cu-O-W, expected Cu4(W3O13)3 to be CuW2O7" +mp-1043077,Cu3(WO3)4,-8.1782906358,-1.6787956113,0.1669431903,0.1669431903,GGA+U,Im-3,A3B12C4_cI38_204_b_g_c:Cu-O-W,19.0,A3B12C4_cI38_204_b_g_c:Cu-O-W +mp-22773,CuWO4,-7.84239633,-1.7017143725,0.0739725419,0.0739725419,GGA+U,P-1,AB4C_aP12_2_i_4i_i:Cu-O-W,12.0,AB4C_aP12_2_i_4i_i:Cu-O-W +mp-1103679,CuWO4,-7.7216094233,-1.5809274658,0.1947594485,0.1947594485,GGA+U,P-1,AB4C_aP12_2_i_4i_i:Cu-O-W,12.0,AB4C_aP12_2_i_4i_i:Cu-O-W +mp-1103309,CuWO4,-7.8289892317,-1.6883072742,0.0873796402,0.0873796402,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Cu-O-W,12.0,AB4C_mP12_13_e_2g_f:Cu-O-W +mp-1103369,CuWO4,-7.8274683975,-1.68678644,0.0889004744,0.0889004744,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Cu-O-W,12.0,AB4C_mP12_13_e_2g_f:Cu-O-W +mp-1047807,CuWO4,-7.7587432488,-1.6180612912,0.1576256231,0.1576256231,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-W,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-W, expected Cu6W5O26 to be CuWO4" +mp-560273,Cu3WO6,-6.8521068563,-1.3585186055,0.0842659789,0.0842659789,GGA+U,Pa-3,A3B6C_cP80_205_d_2d_c:Cu-O-W,80.0,"Invalid WP multiplicities - A3B6C_cP80_205_d_20d_c:Cu-O-W, expected Cu3WO60 to be Cu3WO6" +mp-756162,Cu2W2O7,-7.918206225,-1.6689794269,0.1009575934,0.1009575934,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Cu-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Cu-O-W, expected Cu3W3O13 to be Cu2W2O7" +mp-505194,GdCu(WO4)2,-9.3294374479,-2.3573458596,0.0418696284,0.0418696284,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Cu-Gd-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:Cu-Gd-O-W +mp-622026,Cu2WO4,-7.2938073511,-1.4447647204,0.0840992677,0.0840992677,GGA+U,P1,A2B4C_aP28_1_8a_16a_4a:Cu-O-W,28.0,A2B4C_aP28_1_8a_16a_4a:Cu-O-W +mp-683666,Cu2WO4,-7.0967126596,-1.2476700289,0.2811939591,0.2811939591,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_7i_16i_2i:Cu-O-W, expected Cu7(WO8)2 to be Cu2WO4" +mp-651311,Cu2WO4,-7.1489704296,-1.2999277989,0.2289361891,0.2289361891,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_7i_16i_2i:Cu-O-W, expected Cu7(WO8)2 to be Cu2WO4" +mp-1181706,Cu2WO4,-6.5068796129,-0.6578369821000001,0.8710270059,0.8710270059,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_7i_16i_2i:Cu-O-W, expected Cu7(WO8)2 to be Cu2WO4" +mp-1182481,Cu2WO4,-7.2428695404,-1.3938269096,0.1350370784,0.1350370784,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_7i_16i_2i:Cu-O-W, expected Cu7(WO8)2 to be Cu2WO4" +mp-505402,Cu2WO4,-7.2981512775,-1.4491086468,0.0797553413,0.0797553413,GGA+U,P-1,A2B4C_aP28_2_ab3i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_ab5i_13i_4i:Cu-O-W, expected Cu6W4O13 to be Cu2WO4" +mp-1345424,Cu2WO4,-3.8257242943,2.0233183364,3.5521823245,3.5521823245,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-W,28.0,"Invalid WP multiplicities - A2B4C_aP28_2_7i_16i_2i:Cu-O-W, expected Cu7(WO8)2 to be Cu2WO4" +mp-1214648,Ba2Sr5B4S13,-5.6006990598,-1.7349977057,0.0061079073,0.0061079073,GGA,C2/c,A4B2C13D5_mC96_15_2f_2e_e6f_e2f:B-Ba-S-Sr,48.0,A4B2C13D5_mC96_15_2f_2e_e6f_e2f:B-Ba-S-Sr +mp-1228370,Ba2SrB18,-6.4096608481,-0.4212563144,0.0021858367,0.0021858367,GGA,P4/mmm,A18B2C_tP21_123_3gls_h_d:B-Ba-Sr,21.0,"Invalid WP multiplicities - A18B2C_tP21_123_6g4l7s_h_d:B-Ba-Sr, expected Ba2SrB84 to be Ba2SrB18" +mp-30239,Sr3(BS3)2,-5.6007559791,-1.6693047879,0.0,-0.012485195,GGA,C2/c,A2B6C3_mC44_15_f_3f_ef:B-S-Sr,22.0,"Invalid WP multiplicities - A2B6C3_mC44_15_f_4f_ef:B-S-Sr, expected Sr3(BS4)2 to be Sr3(BS3)2" +mp-8947,Sr(BS2)2,-5.748403975,-1.2349644804,0.0,-0.0103932109,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:B-S-Sr,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2e_7e_e:B-S-Sr, expected SrB2S7 to be Sr(BS2)2" +mp-11012,Sr(BS2)2,-5.7399899457,-1.2265504511,0.0084140293,-0.0019791816,GGA,R-3,A2B4C_hR63_148_f_2f_ac:B-S-Sr,21.0,"Invalid WP multiplicities - A2B4C_hR63_148_f_3f_ac:B-S-Sr, expected Sr(BS3)2 to be Sr(BS2)2" +mp-562764,Ba7B4S13,-5.6727275933,-1.7592175961,0.0,-0.0452065221,GGA,C2/c,A4B7C13_mC96_15_2f_3e2f_e6f:B-Ba-S,48.0,"Invalid WP multiplicities - A4B7C13_mC96_15_5f_5e6f_2e19f:B-Ba-S, expected Ba17(BS4)10 to be Ba7B4S13" +mp-30126,Ba(BS2)2,-5.8202135864,-1.2739910223,0.0,-0.0371475062,GGA,Cc,A2BC4_mC28_9_2a_a_4a:B-Ba-S,14.0,"Invalid WP multiplicities - A2BC4_mC28_9_2a_a_6a:B-Ba-S, expected Ba(BS3)2 to be Ba(BS2)2" +mp-771519,Ca2WO5,-8.1426936306,-2.9298469373,0.0188910063,0.0188910063,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_ab:Ca-O-W,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_19e_ad:Ca-O-W, expected Ca3WO19 to be Ca2WO5" +mp-1393431,Ca2WO5,-7.89965847,-2.6868117767,0.2619261669,0.2619261669,GGA+U,Ima2,A2B5C_oI32_46_c_b2c_a:Ca-O-W,16.0,A2B5C_oI32_46_c_b2c_a:Ca-O-W +mp-752399,Ca2WO5,-8.1022773444,-2.8894306511,0.0593072925,0.0593072925,GGA+U,Pnma,A2B5C_oP32_62_2c_a2cd_c:Ca-O-W,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_5c_2a6c4d_c:Ca-O-W, expected Ca5WO16 to be Ca2WO5" +mp-1103190,CaWO4,-8.5163955742,-2.7246480817,0.0022621417,-0.0383778388,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Ca-O-W,12.0,AB4C_mC24_15_e_2f_e:Ca-O-W +mp-1190383,CaWO4,-8.3258723808,-2.5341248883,0.192785335,0.1521453546,GGA+U,Cmce,AB4C_oC48_64_e_de2f_f:Ca-O-W,24.0,AB4C_oC48_64_e_de2f_f:Ca-O-W +mp-19426,CaWO4,-8.5186577158,-2.7269102233,0.0,-0.0406399804,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Ca-O-W,12.0,AB4C_tI24_88_a_f_b:Ca-O-W +mp-1045231,Ca(WO2)4,-9.0678477462,-1.8823377085,0.3184633997,0.3184633997,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Ca-O-W,13.0,AB8C4_aP13_1_a_8a_4a:Ca-O-W +mp-1044224,Ca(WO2)4,-9.0549441785,-1.8694341408,0.3313669674,0.3313669674,GGA+U,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-O-W,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-O-W, expected Ca(W2O7)2 to be Ca(WO2)4" +mp-1212150,HoWO5,-8.6607681404,-2.6216277609,0.1399609727,0.1399609727,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ho-O-W,28.0,AB5C_mP28_14_e_5e_e:Ho-O-W +mp-1178586,Ca9(WO3)20,-8.875412321,-2.4258131503,0.0438561546,0.0438561546,GGA+U,Cm,A9B60C20_mC178_8_9a_20a20b_10b:Ca-O-W,89.0,A9B60C20_mC178_8_9a_20a20b_10b:Ca-O-W +mp-1042313,CaW2O7,-8.553581213,-2.2987130811,0.2141589836,0.2141589836,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Ca-O-W,20.0,AB7C2_mP20_4_a_7a_2a:Ca-O-W +mp-1394549,CaW2O5,-8.6795904431,-2.0976774561,0.3325223143,0.3325223143,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-O-W,16.0,AB5C2_oP16_59_a_b2e_e:Ca-O-W +mp-1043327,CaW2O5,-8.4886092725,-1.9066962855,0.5235034849,0.5235034849,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-W,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-W +mp-1067260,CaW,-6.534083835,0.94778122,0.94778122,0.94778122,GGA,Fd-3m,AB_cF16_227_a_b:Ca-W,4.0,AB_cF16_227_a_b:Ca-W +mp-1373133,Ca3W2O7,-8.2779506704,-2.7312939139,0.091590906,0.091590906,GGA+U,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-W,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Ca-O-W, expected Ca3W2O9 to be Ca3W2O7" +mp-1044516,CaW3O7,-8.9189560311,-2.0547004358,0.268403412,0.268403412,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-O-W,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Ca-O-W, expected CaW5O7 to be CaW3O7" +mp-1378229,Ca2W9O13,-8.9194435792,-1.2135550343,0.7886121561,0.7886121561,GGA+U,P-1,A2B13C9_aP24_2_i_a6i_b4i:Ca-O-W,24.0,A2B13C9_aP24_2_i_a6i_b4i:Ca-O-W +mp-1402016,Ca2W3O8,-8.5949065162,-2.2518988131,0.2689205841,0.2689205841,GGA+U,C2/m,A2B8C3_mC26_12_i_2ij_ah:Ca-O-W,13.0,A2B8C3_mC26_12_i_2ij_ah:Ca-O-W +mp-1042920,Ca2W3O8,-8.7980958504,-2.4550881473,0.0657312499,0.0657312499,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Ca-O-W,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Ca-O-W, expected Ca2(WO4)3 to be Ca2W3O8" +mp-1332850,Ca(WO2)2,-8.6787395667,-1.8632231117,0.4775377571,0.4775377571,GGA+U,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-W,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-W +mp-1041144,Ca(WO2)2,-8.8365540171,-2.0210375621,0.3197233067,0.3197233067,GGA+U,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-W,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-W +mp-1333926,Ca(WO2)2,-8.7815231707,-1.9660067157,0.3747541531,0.3747541531,GGA+U,P1,AB4C2_aP42_1_6a_24a_12a:Ca-O-W,42.0,AB4C2_aP42_1_6a_24a_12a:Ca-O-W +mp-1326036,Ca(WO2)2,-8.6787246845,-1.8632082295,0.4775526393,0.4775526393,GGA+U,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Ca-O-W,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Ca-O-W, expected Ca4W11O24 to be Ca(WO2)2" +mp-1042158,Ca(WO2)2,-8.8431150804,-2.0275986254,0.3131622435,0.3131622435,GGA+U,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Ca-O-W,28.0,AB4C2_oP28_59_ab_2eg_ce:Ca-O-W +mp-1047458,Ca(WO2)2,-8.8695227618,-2.0540063068,0.286754562,0.286754562,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-W,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-W +mp-1047711,Ca(WO2)2,-8.8288231107,-2.0133066557,0.3274542131,0.3274542131,GGA+U,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-W,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-W +mp-1042036,Ca(WO2)2,-8.6574045364,-1.8418880814,0.4988727874,0.4988727874,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Ca-O-W,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Ca-O-W, expected Ca(WO5)2 to be Ca(WO2)2" +mp-1041518,Ca(WO2)2,-8.8850553671,-2.0695389121,0.2712219567,0.2712219567,GGA+U,I4_1/amd,AB4C2_tI28_141_a_h_d:Ca-O-W,14.0,AB4C2_tI28_141_a_h_d:Ca-O-W +mp-1383146,Ca(WO2)2,-8.7641639879,-1.9486475329,0.392113336,0.392113336,GGA+U,R3m,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-W,14.0,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-W +mp-1042163,Ca(WO2)2,-8.8871244629,-2.0716080079,0.269152861,0.269152861,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-W,14.0,AB4C2_cF56_227_a_e_d:Ca-O-W +mp-756932,Ca3W2O9,-8.2286549579,-2.7677079221,0.0859609986,0.0859609986,GGA+U,P2_1/m,A3B9C2_mP28_11_a2e_5e2f_2e:Ca-O-W,28.0,"Invalid WP multiplicities - A3B9C2_mP28_11_a3e_9e4f_3e:Ca-O-W, expected Ca4W3O17 to be Ca3W2O9" +mp-772583,Ca3W2O9,-8.2310733062,-2.7701262704,0.0835426502,0.0835426502,GGA+U,Pnma,A3B9C2_oP56_62_a2c_5c2d_2c:Ca-O-W,56.0,"Invalid WP multiplicities - A3B9C2_oP56_62_3a6c_19c6d_5c:Ca-O-W, expected Ca9W5O31 to be Ca3W2O9" +mp-1045717,Ca(WO3)2,-8.8423087306,-2.4420873297,0.0550243928,0.0550243928,GGA+U,P1,AB6C2_aP18_1_2a_12a_4a:Ca-O-W,18.0,"Invalid WP multiplicities - AB6C2_mP18_6_ab_2a2b7c_3c:Ca-O-W, expected Ca(WO3)3 to be Ca(WO3)2" +mp-1041414,CaW4O9,-8.9651362657,-1.9395420371,0.3223641407,0.3223641407,GGA+U,P4/n,AB9C4_tP28_85_c_a2g_g:Ca-O-W,28.0,AB9C4_tP28_85_c_a2g_g:Ca-O-W +mp-779906,Ca3WO6,-7.9226884435,-3.0571822298,0.024652346,-0.051973572,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Ca-O-W,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_2a2e_9e_b:Ca-O-W, expected Ca6WO18 to be Ca3WO6" +mp-781505,Ca3WO6,-7.9473407895,-3.0818345758,0.0,-0.076625918,GGA+U,R-3,A3B6C_hR60_148_f_2f_ab:Ca-O-W,20.0,"Invalid WP multiplicities - A3B6C_hR60_148_f_7f_ab:Ca-O-W, expected Ca3WO21 to be Ca3WO6" +mp-1431390,CaWO3,-8.406033696,-2.4452744473,0.2205363528,0.2205363528,GGA+U,Cm,AB3C_mC10_8_a_ab_a:Ca-O-W,5.0,AB3C_mC10_8_a_ab_a:Ca-O-W +mp-1342410,CaWO3,-8.5729237665,-2.6121645178,0.0536462823,0.0536462823,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-W,20.0,AB3C_oP20_62_c_cd_a:Ca-O-W +mp-775211,Ho2WO6,-9.0775625778,-3.3216647736,0.0,-0.0800204943,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:Ho-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_ef2g_23g_g:Ho-O-W, expected Ho3WO23 to be Ho2WO6" +mp-770873,Ho2WO6,-9.0390523186,-3.2831545144,0.0385102592,-0.0415102351,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Ho-O-W,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_4ef_17f_f:Ho-O-W, expected Ho3WO17 to be Ho2WO6" +mp-772638,Ho2WO6,-9.0621034936,-3.3062056894,0.0154590842,-0.0645614101,GGA+U,P2_12_12_1,A2B6C_oP72_19_4a_12a_2a:Ho-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_19_13a_45a_5a:Ho-O-W, expected Ho13(WO9)5 to be Ho2WO6" +mp-770571,Ho2WO6,-9.0728906547,-3.3169928506,0.0046719231,-0.0753485713,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Ho-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Ho-O-W, expected Ho5WO21 to be Ho2WO6" +mp-1340542,CaW5O7,-8.9207724104,-1.1189976405,0.8467056153,0.8467056153,GGA+U,Cmcm,AB7C5_oC52_63_c_c3f_a2f:Ca-O-W,26.0,"Invalid WP multiplicities - AB7C5_oC52_63_c_c3f_a5f:Ca-O-W, expected CaW11O7 to be CaW5O7" +mp-772566,Ho2(WO4)3,-9.0893375662,-2.7717215094,0.0182491716,0.0182491716,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Ho-O-W,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_5e_45e_9e:Ho-O-W, expected Ho5(WO5)9 to be Ho2(WO4)3" +mp-772627,Ho2(WO4)3,-9.0622859565,-2.7446698997,0.0453007813,0.0453007813,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Ho-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_23f_e2f:Ho-O-W, expected Ho2W5O46 to be Ho2(WO4)3" +mp-1341052,Ca2W2O5,-8.1685220939,-2.095088341,0.5273378723000001,0.5273378723000001,GGA+U,Pbam,A2B5C2_oP18_55_h_agh_g:Ca-O-W,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Ca-O-W, expected CaWO6 to be Ca2W2O5" +mp-19065,Ho6WO12,-8.9154092832,-3.6621014945,0.0347034293,0.0347034293,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:Ho-O-W,19.0,A6B12C_hR57_148_f_2f_a:Ho-O-W +mp-1044591,Ca(W2O3)2,-8.8200541323,-1.2274856716,0.8177752597,0.8177752597,GGA+U,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Ca-O-W,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Ca-O-W, expected Ca(W2O)6 to be Ca(W2O3)2" +mp-1390191,CaWO2,-8.1663982494,-1.9521213662,0.6160741135000001,0.6160741135000001,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Ca-O-W,16.0,AB2C_aP16_1_4a_8a_4a:Ca-O-W +mp-1401385,CaWO2,-7.8288354162,-1.6145585331,0.9536369467,0.9536369467,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-W,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Ca-O-W, expected Ca2W3O7 to be CaWO2" +mp-1343434,CaWO2,-7.949773535,-1.7354966519,0.8326988279,0.8326988279,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-W,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-W, expected Ca2W3O7 to be CaWO2" +mp-1048077,CaWO2,-7.9439003162,-1.7296234331,0.8385720467000001,0.8385720467000001,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Ca-O-W,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-W, expected Ca2W3O7 to be CaWO2" +mp-1213897,CaWO2,-8.0332227388,-1.8189458556,0.7492496242000001,0.7492496242000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Ca-O-W,16.0,AB2C_tI32_141_c_h_d:Ca-O-W +mp-778380,Ca5W3O14,-8.2301822643,-2.8594535349,0.0287859395,0.0287859395,GGA+U,Pbca,A5B14C3_oP88_61_a2c_7c_bc:Ca-O-W,88.0,"Invalid WP multiplicities - A5B14C3_oP88_61_2a6c_25c_2b2c:Ca-O-W, expected Ca7W3O25 to be Ca5W3O14" +mp-1183518,Ca3W,-3.8539761137,0.8897563538000001,0.8897563538000001,0.8897563538000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ca-W,8.0,A3B_hP8_194_h_c:Ca-W +mp-1041295,Ho(WO3)2,-9.2474581328,-2.5609246219,0.1186651253,0.1186651253,GGA+U,Pm,AB6C2_mP18_6_ab_2a2b4c_2c:Ho-O-W,18.0,AB6C2_mP18_6_ab_2a2b4c_2c:Ho-O-W +mp-1041228,CaHo(WO3)2,-8.915629864,-2.6971897162,0.1304648319,0.1304648319,GGA+U,Pc,ABC6D2_mP20_7_a_a_6a_2a:Ca-Ho-O-W,20.0,"Invalid WP multiplicities - ABC6D2_mP20_7_a_a_12a_4a:Ca-Ho-O-W, expected CaHo(WO3)4 to be CaHo(WO3)2" +mp-1104788,Co(BO2)2,-8.121853775,-2.3713028919,0.1587548599,0.1587548599,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:B-Co-O,28.0,A2BC4_mC28_15_f_e_2f:B-Co-O +mp-19343,Co4B6O13,-8.1251077248,-2.3504740269,0.1211572174,0.1211572174,GGA+U,I-43m,A6B4C13_cI46_217_d_c_ag:B-Co-O,23.0,A6B4C13_cI46_217_d_c_ag:B-Co-O +mp-1213790,Co2BO4,-7.6108541782,-1.7990281488000002,0.2286830954,0.2286830954,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:B-Co-O,28.0,AB2C4_oP28_62_c_2c_4c:B-Co-O +mp-768280,Sm2B4O9,-8.654286516300001,-3.2759573327,0.0100280347,0.0100280347,GGA,P-1,A4B9C2_aP30_2_4i_9i_2i:B-O-Sm,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_7i_17i_3i:B-O-Sm, expected Sm3B7O17 to be Sm2B4O9" +mp-647281,Sm2B4O9,-8.6394783706,-3.261149187,0.0248361804,0.0248361804,GGA,C2/c,A4B9C2_mC300_15_10f_e22f_5f:B-O-Sm,150.0,"Invalid WP multiplicities - A4B9C2_mC300_15_37f_2e83f_17f:B-O-Sm, expected Sm17B37O84 to be Sm2B4O9" +mp-757083,CoBO3,-7.691966077,-1.9664109371,0.1762600723,0.1762600723,GGA+U,P-1,ABC3_aP10_2_i_i_3i:B-Co-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:B-Co-O, expected CoBO5 to be CoBO3" +mp-765572,CoBO3,-7.6689170925,-1.9433619526,0.1993090568,0.1993090568,GGA+U,C2/c,ABC3_mC40_15_f_f_3f:B-Co-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_f_11f:B-Co-O, expected CoBO11 to be CoBO3" +mp-1183397,CoBO3,-6.641636028,-0.9160808881,1.2265901213,1.2265901213,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:B-Co-O,5.0,ABC3_cP5_221_b_a_c:B-Co-O +mp-22829,CoB4O7,-8.313256644500001,-2.6088644897,0.0331774014,0.0331774014,GGA+U,Pbca,A4BC7_oP96_61_4c_c_7c:B-Co-O,96.0,A4BC7_oP96_61_4c_c_7c:B-Co-O +mp-1190897,CoB4O7,-8.2579302587,-2.5535381040000003,0.0885037872,0.0885037872,GGA+U,Cmcm,A4BC7_oC48_63_eg_c_cgh:B-Co-O,48.0,A4BC7_oC48_63_eg_c_cgh:B-Co-O +mp-542153,Co3BO5,-7.5698471331,-1.7100928317,0.1930054708,0.1930054708,GGA+U,Pbam,AB3C5_oP36_55_g_adgh_3g2h:B-Co-O,36.0,AB3C5_oP36_55_g_adgh_3g2h:B-Co-O +mp-510055,Co2B2O5,-7.9696287522,-2.157532898,0.223212668,0.223212668,GGA+U,P-1,A2B2C5_aP18_2_2i_2i_5i:B-Co-O,18.0,A2B2C5_aP18_2_2i_2i_5i:B-Co-O +mp-22632,Co3(BO3)2,-8.1369895564,-2.2857287205,0.0,-0.2581205334,GGA+U,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Co-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_2a2f_3g3h:B-Co-O, expected Co3BO9 to be Co3(BO3)2" +mp-19489,SmCo(BO2)5,-8.4445193619,-2.8744752503,0.0405200708,0.0405200708,GGA+U,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Co-O-Sm,68.0,"Invalid WP multiplicities - A5BC10D_mP68_14_6e_e_15e_e:B-Co-O-Sm, expected SmCo(B2O5)3 to be SmCo(BO2)5" +mp-8627,SmBO3,-8.7366616705,-3.4890528626,0.0,-0.0664059022,GGA,P-1,AB3C_aP20_2_2i_6i_2i:B-O-Sm,20.0,AB3C_aP20_2_2i_6i_2i:B-O-Sm +mp-760477,SmBO3,-8.675841143,-3.4282323351,0.0608205275,-0.0055853747,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Sm,10.0,"Invalid WP multiplicities - AB3C_oC20_40_b_2b2c_a:B-O-Sm, expected SmBO6 to be SmBO3" +mp-1173486,SmBO3,-8.7001538265,-3.4525450186,0.036507844,-0.0298980582,GGA,Pnma,AB3C_oP20_62_c_cd_a:B-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c3d_a:B-O-Sm, expected SmBO8 to be SmBO3" +mp-780265,Sm3B5O12,-8.6010062514,-3.2553571617,0.0813950795,0.0813950795,GGA,Pnma,A5B12C3_oP80_62_3cd_6c3d_cd:B-O-Sm,80.0,"Invalid WP multiplicities - A5B12C3_oP80_62_9c4d_21c12d_2c3d:B-O-Sm, expected Sm8B17O45 to be Sm3B5O12" +mp-1173570,Sm3B3O7,-8.1332028038,-2.8392985964,0.4092553355,0.4092553355,GGA,Amm2,A3B7C3_oC52_38_ab2c_7c_3c:B-O-Sm,26.0,"Invalid WP multiplicities - A3B7C3_oC52_38_ab2c_13c_3c:B-O-Sm, expected Sm3B3O13 to be Sm3B3O7" +mp-1203984,Sm3B13O29,-7.6854981202,-2.2534575857,0.4914700911,0.4914700911,GGA,P2/c,A13B29C3_mP180_13_13g_29g_3g:B-O-Sm,180.0,A13B29C3_mP180_13_13g_29g_3g:B-O-Sm +mp-11709,Sm(BO2)3,-8.6119840655,-3.168294694,0.0161569257,-0.0116217729,GGA,C2/c,A3B6C_mC40_15_ef_3f_e:B-O-Sm,20.0,"Invalid WP multiplicities - A3B6C_mC40_15_e2f_6f_e:B-O-Sm, expected SmB5O12 to be Sm(BO2)3" +mp-645338,Sm(BO2)3,-8.6281409912,-3.1844516197,0.0,-0.0277786987,GGA,Pnma,A3B6C_oP160_62_6d_6c9d_4c:B-O-Sm,160.0,"Invalid WP multiplicities - A3B6C_oP160_62_43d_23c68d_15c:B-O-Sm, expected Sm15B86O159 to be Sm(BO2)3" +mp-567763,Pr(C2N3)3,-8.6436514413,-0.1948168766,0.0,-0.0118319403,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Pr,32.0,"Invalid WP multiplicities - A6B9C_oC64_63_2g3h_c3f3g6h_c:C-N-Pr, expected PrC16N37 to be Pr(C2N3)3" +mp-1219741,PrTh,-6.045318305,0.0520636975,0.0520636975,0.0520636975,GGA,R-3m,AB_hR6_166_a_b:Pr-Th,2.0,AB_hR6_166_a_b:Pr-Th +mp-1219706,PrThN2,-8.8561628525,-1.6392243888,0.0,-0.0310238975,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Pr-Th,4.0,A2BC_tP4_123_ad_b_c:N-Pr-Th +mp-1186737,Pr3Th,-5.3564389475,0.0827049313,0.0827049313,0.0827049313,GGA,I4/mmm,A3B_tI8_139_ad_b:Pr-Th,4.0,A3B_tI8_139_ad_b:Pr-Th +mp-1217332,Th2CN,-9.1317159475,-1.0334967181,0.0,-0.01953609,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-Th,4.0,ABC2_hR12_166_a_b_c:C-N-Th +mp-30521,ThCN,-9.3878205667,-1.0614810108,0.1068666508,0.1068666508,GGA,C2/m,ABC_mC12_12_i_i_i:C-N-Th,6.0,ABC_mC12_12_i_i_i:C-N-Th +mp-1219723,PrThCN,-8.3038002025,-0.8638190969,0.0709920333,0.0709920333,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Pr-Th,4.0,ABCD_hR12_160_a_a_a_a:C-N-Pr-Th +mp-35397,Bi2WO8,-6.9002605555,-1.4263861755,0.1841319261,0.1841319261,GGA+U,P1,A2B8C_aP11_1_2a_8a_a:Bi-O-W,11.0,A2B8C_aP11_1_2a_8a_a:Bi-O-W +mp-2633954,Bi2WO8,-6.9424370573,-1.4685626773,0.1419554243,0.1419554243,GGA+U,P1,A2B8C_aP11_1_2a_8a_a:Bi-O-W,11.0,A2B8C_aP11_1_2a_8a_a:Bi-O-W +mp-554807,Er10W2O21,-8.9825982781,-3.6652070206,0.0,-0.0041713486,GGA+U,Pbcn,A10B21C2_oP132_60_5d_3c9d_d:Er-O-W,132.0,"Invalid WP multiplicities - A10B21C2_oP132_60_31d_11c60d_d:Er-O-W, expected Er62W2O131 to be Er10W2O21" +mp-757274,Bi17W3O34,-6.810831058,-1.7673102787,0.0377883949,0.0377883949,GGA+U,P1,A17B34C3_aP54_1_17a_34a_3a:Bi-O-W,54.0,A17B34C3_aP54_1_17a_34a_3a:Bi-O-W +mp-530169,Bi17W3O34,-6.7974355274,-1.7539147481,0.0511839255,0.0511839255,GGA+U,P1,A17B34C3_aP54_1_17a_34a_3a:Bi-O-W,54.0,A17B34C3_aP54_1_17a_34a_3a:Bi-O-W +mp-1983109,ErBiW2O9,-8.5584333642,-2.4934589949,0.0151323617,0.0151323617,GGA+U,Pmmn,ABC9D2_oP26_59_a_b_a2b3e_ab:Bi-Er-O-W,26.0,ABC9D2_oP26_59_a_b_a2b3e_ab:Bi-Er-O-W +mp-1198777,ErBiW2O9,-8.5584180917,-2.4934437224,0.0151476342,0.0151476342,GGA+U,Pnma,ABC9D2_oP52_62_c_c_3c3d_2c:Bi-Er-O-W,52.0,ABC9D2_oP52_62_c_c_3c3d_2c:Bi-Er-O-W +mp-1041820,Bi(WO4)2,-8.1944886864,-1.8917378427,0.1090565682,0.1090565682,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Bi-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Bi-O-W, expected Bi(WO8)2 to be Bi(WO4)2" +mp-1041572,Bi(WO4)2,-8.2106346932,-1.9078838495,0.0929105614,0.0929105614,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Bi-O-W,22.0,AB8C2_mP22_13_e_4g_g:Bi-O-W +mp-1229330,Bi(W3O10)6,-8.6075514232,-1.8494734998,0.2047655817,0.2047655817,GGA+U,R3,AB60C18_hR237_146_a_20b_6b:Bi-O-W,79.0,AB60C18_hR237_146_a_20b_6b:Bi-O-W +mp-1214232,BiWO2,-7.1125537744,-0.4395545788,1.0885814619,1.0885814619,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Bi-O-W,16.0,AB2C_tI32_141_c_h_d:Bi-O-W +mp-675245,Bi6W4O21,-7.6237817861,-1.8574618301,0.1397754815,0.1397754815,GGA+U,P1,A6B21C4_aP31_1_6a_21a_4a:Bi-O-W,31.0,A6B21C4_aP31_1_6a_21a_4a:Bi-O-W +mp-554500,Bi2WO6,-7.5504141367,-1.9593873858,0.0090236272,-0.0266963662,GGA+U,C2/m,A2B6C_mC36_12_2i_6i_i:Bi-O-W,18.0,"Invalid WP multiplicities - A2B6C_mC36_12_2i_11i_i:Bi-O-W, expected Bi2WO11 to be Bi2WO6" +mp-23480,Bi2WO6,-7.5594377639,-1.9684110131,0.0,-0.0357199934,GGA+U,Pca2_1,A2B6C_oP36_29_2a_6a_a:Bi-O-W,36.0,A2B6C_oP36_29_2a_6a_a:Bi-O-W +mp-1182818,Bi2WO6,-6.8466035528,-1.2555768019,0.7128342111,0.6771142177,GGA+U,Pca2_1,A2B6C_oP36_29_2a_6a_a:Bi-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_29_4a_24a_a:Bi-O-W, expected Bi4WO24 to be Bi2WO6" +mp-23329,Bi2WO6,-7.5594240094,-1.9683972586,1.37544e-05,-0.035706239,GGA+U,Aea2,A2B6C_oC36_41_b_3b_a:Bi-O-W,18.0,"Invalid WP multiplicities - A2B6C_oC36_41_b_4b_a:Bi-O-W, expected Bi2WO8 to be Bi2WO6" +mp-705713,Bi14WO24,-6.4795993572,-1.7245863541,0.0083613129,0.0083613129,GGA+U,P1,A14B24C_aP39_1_14a_24a_a:Bi-O-W,39.0,A14B24C_aP39_1_14a_24a_a:Bi-O-W +mp-1227617,Bi14WO24,-6.3903071095,-1.6352941064,0.0976535606,0.0976535606,GGA+U,I4/m,A14B24C_tI78_87_ehi_gh2i_a:Bi-O-W,39.0,A14B24C_tI78_87_ehi_gh2i_a:Bi-O-W +mp-1214148,BiWO4,-7.967218775,-1.8696564075,0.1160305325,0.1160305325,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Bi-O-W,12.0,AB4C_tI24_88_a_f_b:Bi-O-W +mp-1044227,BiWO5,-7.5465028818,-1.6133510366,0.2782888509,0.2782888509,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-W,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-W, expected BiWO15 to be BiWO5" +mp-1042676,BiWO5,-7.4922452773,-1.5590934321,0.3325464554,0.3325464554,GGA+U,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-W,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-W, expected BiWO31 to be BiWO5" +mp-758626,Bi17(WO11)3,-6.7850908819,-1.7397430824,0.0471401993,0.0471401993,GGA+U,P1,A17B33C3_aP53_1_17a_33a_3a:Bi-O-W,53.0,A17B33C3_aP53_1_17a_33a_3a:Bi-O-W +mp-1213078,ErWO5,-8.6627697004,-2.6257279009000003,0.1414447311,0.1414447311,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Er-O-W,28.0,AB5C_mP28_14_e_5e_e:Er-O-W +mp-1197485,Bi2W2O9,-8.0441868352,-2.0351532105,0.0019974376,0.0019974376,GGA+U,Pna2_1,A2B9C2_oP52_33_2a_9a_2a:Bi-O-W,52.0,"Invalid WP multiplicities - A2B9C2_oP52_60_d_c5d_d:Bi-O-W, expected Bi2W2O11 to be Bi2W2O9" +mp-29782,Bi2W2O9,-8.0457527825,-2.0367191578,0.0004314903,0.0004314903,GGA+U,Pbcn,A2B9C2_oP52_60_d_c4d_d:Bi-O-W,52.0,"Invalid WP multiplicities - A2B9C2_oP52_60_d_3c6d_d:Bi-O-W, expected Bi2W2O15 to be Bi2W2O9" +mp-773008,Er2(WO4)3,-9.0912800575,-2.7753922431,0.0191769425,0.0191769425,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Er-O-W,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_5e_45e_9e:Er-O-W, expected Er5(WO5)9 to be Er2(WO4)3" +mp-773513,Er2(WO4)3,-9.0607618479,-2.7448740335,0.0496951521,0.0496951521,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Er-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_15f_2ef:Er-O-W, expected ErW2O15 to be Er2(WO4)3" +mp-17201,Er2WO6,-9.0829841842,-3.3303508378,0.0,-0.0530117971,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:Er-O-W,36.0,A2B6C_mP36_13_efg_6g_g:Er-O-W +mp-17426,Er2WO6,-9.0751919333,-3.3225585869,0.0077922508,-0.0452195463,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Er-O-W,36.0,A2B6C_oP36_19_2a_6a_a:Er-O-W +mp-556249,Er2WO6,-9.0814413431,-3.3288079967,0.0015428411,-0.051468956,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Er-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_61_13c_44c_c:Er-O-W, expected Er13WO44 to be Er2WO6" +mp-1017553,CdCo3N,-6.15998521,-0.043117596,0.0,-0.011370898,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-Co-N,5.0,AB3C_cP5_221_a_c_b:Cd-Co-N +mp-1245914,Co(CN)2,-8.2026295305,0.2450981955,0.2746512915,0.2746512915,GGA,P-1,A2BC2_aP20_2_4i_2i_4i:C-Co-N,20.0,"Invalid WP multiplicities - A2BC2_aP20_2_8i_2i_8i:C-Co-N, expected Co(CN)4 to be Co(CN)2" +mp-1245710,Co(CN)2,-8.2028611945,0.2448665315,0.2744196275,0.2744196275,GGA,Cmce,A2BC2_oC40_64_g_f_g:C-Co-N,20.0,A2BC2_oC40_64_g_f_g:C-Co-N +mp-1245666,Co(CN)2,-8.122108035,0.325619691,0.355172787,0.355172787,GGA,P-43m,A2BC2_cP10_215_e_ab_e:C-Co-N,10.0,A2BC2_cP10_215_e_ab_e:C-Co-N +mp-1247502,Cd4CN4,-4.8741194075,0.2665699517,0.3025813947,0.3025813947,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Cd-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Cd-N +mp-1246587,Cd(CoN)2,-6.055568403,0.306934637,0.366040829,0.366040829,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Cd-Co-N,20.0,AB2C2_oP20_62_c_2c_2c:Cd-Co-N +mp-1246719,Cd(CoN)2,-6.234705416,0.127797624,0.186903816,0.186903816,GGA,R-3m,AB2C2_hR15_166_a_c_c:Cd-Co-N,5.0,AB2C2_mC10_12_a_i_i:Cd-Co-N +mp-1103876,Co(CN)6,-7.6124458992,1.0413448931,1.0527114685,1.0527114685,GGA,P-31m,A6BC6_hP13_162_k_a_k:C-Co-N,13.0,A6BC6_hP13_162_k_a_k:C-Co-N +mp-1247120,Cd11(CN5)2,-4.5702610728,0.2981766487,0.3263595172,0.3263595172,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-Cd-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-Cd-N +mp-34656,Cd(CN)2,-7.002244413,0.208397706,0.2732183035,0.2732183035,GGA,P4_2nm,A2BC2_tP10_102_c_a_c:C-Cd-N,10.0,A2BC2_tP10_102_c_a_c:C-Cd-N +mp-4077,Cd(CN)2,-6.9951980890000005,0.21544403,0.2802646275,0.2802646275,GGA,P-43m,A2BC2_cP10_215_e_ab_e:C-Cd-N,10.0,A2BC2_cP10_215_e_ab_e:C-Cd-N +mp-1246094,Co4CN4,-7.6993500089,0.1904184769,0.2560920236,0.2560920236,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Co-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Co-N +mp-1246539,Co(C4N3)2,-8.4121945527,0.3182461997,0.3280972317,0.3280972317,GGA,Cm,A8BC6_mC90_8_4a10b_ab_2a8b:C-Co-N,45.0,"Invalid WP multiplicities - A8BC6_mC90_8_4a18b_ab_2a15b:C-Co-N, expected Co3(C5N4)8 to be Co(C4N3)2" +mp-1246287,Co(C4N3)2,-8.4075136527,0.3229270997,0.3327781317,0.3327781317,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Co-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Co-N +mp-1247408,Co(C2N3)3,-8.2252636887,0.3690341284,0.3782694709,0.3782694709,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Co-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Co-N +mp-567767,CoCN2,-8.088938265,0.1635550194,0.2004963894,0.2004963894,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:C-Co-N,8.0,ABC2_hP8_194_c_a_f:C-Co-N +mp-1246944,Co2(CN2)3,-8.1690552218,0.1874540161,0.214320467,0.214320467,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Co-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Co-N +mp-1247219,Co2(CN2)3,-8.2736749041,0.0828343339,0.1097007848,0.1097007848,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Co-N,22.0,A3B2C6_hR66_167_e_c_f:C-Co-N +mp-1246117,CoC2N3,-8.1094628367,0.3197260892,0.3443536692,0.3443536692,GGA,C2/c,A2BC3_mC48_15_2f_2e_3f:C-Co-N,24.0,A2BC3_mC48_15_2f_2e_3f:C-Co-N +mp-1247301,CoC2N3,-8.0604168311,0.3687720947,0.3933996747,0.3933996747,GGA,P3_121,A2BC3_hP18_152_c_a_bc:C-Co-N,18.0,A2BC3_hP18_152_c_a_bc:C-Co-N +mp-1245659,CoCN,-7.9803083767,0.2441843608,0.2934395208,0.2934395208,GGA,R3m,ABC_hR9_160_a_a_a:C-Co-N,3.0,ABC_hR9_160_a_a_a:C-Co-N +mp-1227386,Cd3Co2(CN)12,-7.570629281,0.2834131286,0.3271317466,0.3271317466,GGA,P-4m2,A12B3C2D12_tP29_115_2gl_ag_g_2gl:C-Cd-Co-N,29.0,"Invalid WP multiplicities - A12B3C2D12_tP29_115_4g2l_ag_g_4g2l:C-Cd-Co-N, expected Cd3Co2(CN)24 to be Cd3Co2(CN)12" +mp-1245934,Cd(C4N3)2,-8.0471406053,0.270938278,0.2925451438,0.2925451438,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Cd-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Cd-N +mp-1245937,Cd(C4N3)2,-8.0458292842,0.2722495991,0.2938564649,0.2938564649,GGA,P31m,A8BC6_hP45_157_4c2d_ab_2c2d:C-Cd-N,45.0,A8BC6_hP45_157_4c2d_ab_2c2d:C-Cd-N +mp-1214070,Cd(C5N)12,-7.8876056327,1.0806239345,1.0850637015,1.0850637015,GGA,P-1,A60BC12_aP73_2_30i_a_6i:C-Cd-N,73.0,A60BC12_aP73_2_30i_a_6i:C-Cd-N +mp-636559,Cd(C2N3)2,-7.8716033545,0.1153531255,0.1448170334,0.1448170334,GGA,P2_1/c,A4BC6_mP22_14_2e_a_3e:C-Cd-N,22.0,"Invalid WP multiplicities - A4BC6_mP22_14_4e_a_8e:C-Cd-N, expected Cd(CN2)8 to be Cd(C2N3)2" +mp-11646,Cd(C2N3)2,-7.8774376486,0.1095188314,0.1389827393,0.1389827393,GGA,Pnnm,A4BC6_oP22_58_h_a_gh:C-Cd-N,22.0,"Invalid WP multiplicities - A4BC6_oP22_58_h_a_2gh:C-Cd-N, expected Cd(CN2)4 to be Cd(C2N3)2" +mp-621694,CdCN2,-5.4778973475,1.2282389281,1.309264675,1.2282389281,GGA,R3m,ABC2_hR12_160_a_a_2a:C-Cd-N,4.0,ABC2_hR12_160_a_a_2a:C-Cd-N +mp-1181952,CdCN2,-5.493136495,1.2129997806,1.2940255275,1.2129997806,GGA,R3m,ABC2_hR12_160_a_a_2a:C-Cd-N,4.0,ABC2_hR12_160_a_a_2a:C-Cd-N +mp-1182015,CdCN2,-4.31823375,2.3879025256,2.4689282725,2.3879025256,GGA,R3m,ABC2_hR12_160_a_a_2a:C-Cd-N,4.0,ABC2_hR12_160_a_a_2a:C-Cd-N +mp-1182024,CdCN2,-5.08283992,1.6232963556,1.7043221025,1.6232963556,GGA,R3m,ABC2_hR12_160_a_a_2a:C-Cd-N,4.0,ABC2_hR12_160_a_a_2a:C-Cd-N +mp-10969,CdCN2,-6.7871620225,-0.0810257469,0.0,-0.0810257469,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Cd-N,4.0,ABC2_hR12_166_a_b_c:C-Cd-N +mp-22403,Co(C2N3)2,-8.3521170405,0.1971510791,0.2105843045,0.2105843045,GGA,Pnnm,A4BC6_oP22_58_h_a_gh:C-Co-N,22.0,"Invalid WP multiplicities - A4BC6_oP22_58_h_a_2gh:C-Co-N, expected Co(CN2)4 to be Co(C2N3)2" +mp-1246536,Co11(CN5)2,-7.5961327722,0.23055314,0.2952758709,0.2952758709,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-Co-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-Co-N +mp-680683,CsB9O14,-8.2581646799,-2.8305159188,0.0,-0.0101750698,GGA,P222_1,A9BC14_oP96_17_9e_ac_14e:B-Cs-O,96.0,"Invalid WP multiplicities - A9BC14_oP96_17_35e_2ac_54e:B-Cs-O, expected Cs3(B35O54)2 to be CsB9O14" +mp-510535,CsB5O8,-8.1067786612,-2.8306450244,0.0050680838,-0.0080633924,GGA,P2_1/c,A5BC8_mP56_14_5e_e_8e:B-Cs-O,56.0,"Invalid WP multiplicities - A5BC8_mP56_14_17e_e_30e:B-Cs-O, expected CsB17O30 to be CsB5O8" +mp-581194,CsB5O8,-8.111846745,-2.8357131081,0.0,-0.0131314761,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:B-Cs-O,112.0,"Invalid WP multiplicities - A5BC8_oP112_61_34c_c_61c:B-Cs-O, expected CsB34O61 to be CsB5O8" +mp-1198145,CsB5O8,-8.1105718872,-2.8344382504,0.0012748578,-0.0118566184,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:B-Cs-O,112.0,A5BC8_oP112_61_5c_c_8c:B-Cs-O +mp-1019710,CsB5O8,-8.0944807829,-2.818347146,0.0173659621,0.004234486,GGA,Pnma,A5BC8_oP56_62_c2d_c_2c3d:B-Cs-O,56.0,A5BC8_oP56_62_c2d_c_2c3d:B-Cs-O +mp-1019608,Cs3BO3,-5.5946007479,-2.136648602,0.0,-0.137854065,GGA,Pbam,AB3C3_oP56_55_gh_efghi_gh2i:B-Cs-O,56.0,AB3C3_oP56_55_gh_efghi_gh2i:B-Cs-O +mp-9309,CsTa(BO3)2,-8.5955969595,-3.0163873784,0.0,-0.0297098592,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:B-Cs-O-Ta,20.0,A2BC6D_oP20_31_b_a_2a2b_a:B-Cs-O-Ta +mp-561725,CsBO2,-6.97314275,-2.6060998586,0.0,-0.0895646423,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Cs-O,24.0,"Invalid WP multiplicities - ABC2_hR72_167_e_e_4e:B-Cs-O, expected CsBO4 to be CsBO2" +mp-1192281,Cs(BO)12,-6.9104105644,-1.2940758381,1.0771028385,1.0771028385,GGA,R-3m,A12BC12_hR75_166_2h_a_2h:B-Cs-O,25.0,A12BC12_hR75_166_2h_a_2h:B-Cs-O +mp-1208744,Ta(BO)2,-8.099713888,-1.0777261692,1.0784908555,1.0784908555,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:B-O-Ta,20.0,A2B2C_tI40_141_h_h_c:B-O-Ta +mp-531006,CsB9O13,-8.1011922524,-2.6526321847,0.1014365062,0.1014365062,GGA,P4_122,A9BC13_tP92_91_c4d_a_c6d:B-Cs-O,92.0,"Invalid WP multiplicities - A9BC13_tP92_91_2c13d_a_2c21d:B-Cs-O, expected Cs(B7O11)4 to be CsB9O13" +mp-3977,CsB3O5,-7.8861160542,-2.812002583,0.0,-0.0273146414,GGA,P2_12_12_1,A3BC5_oP36_19_3a_a_5a:B-Cs-O,36.0,"Invalid WP multiplicities - A3BC5_oP36_19_4a_a_8a:B-Cs-O, expected Cs(BO2)4 to be CsB3O5" +mp-4624,TaBO4,-9.5335402958,-3.1462195882,0.0,-0.0337642857,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:B-O-Ta,12.0,AB4C_tI24_141_a_h_b:B-O-Ta +mp-1178471,Cs2(B2O3)9,-8.207525398,-2.7696434443,0.0234621289,0.0234621289,GGA,C222_1,A18B2C27_oC188_20_ab8c_c_2ab12c:B-Cs-O,94.0,"Invalid WP multiplicities - A18B2C27_oC188_20_2a2b30c_c_2a4b48c:B-Cs-O, expected CsB32O51 to be Cs2(B2O3)9" +mp-1087531,CsBO6,-5.15909321,-0.5022274087,0.8008225206,0.8008225206,GGA,I-42m,ABC6_tI16_121_a_b_di:B-Cs-O,8.0,ABC6_tI16_121_a_b_di:B-Cs-O +mp-1209158,RbSO2,-5.4989653794,-1.7463750389,0.253270414,0.253270414,GGA,Pnma,A2BC_oP16_62_d_c_c:O-Rb-S,16.0,A2BC_oP16_62_d_c_c:O-Rb-S +mp-541057,Rb4Re6S13,-6.8071815293,-1.0522620655,0.0,-0.0148875305,GGA,C2/c,A4B6C13_mC92_15_2f_3f_e6f:Rb-Re-S,46.0,A4B6C13_mC92_15_2f_3f_e6f:Rb-Re-S +mp-785962,Rb2S2O7,-3.8036453316,0.2746082009,2.3911133548,2.2905252013,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Rb-S,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_27i_7i_7i:O-Rb-S, expected Rb7S7O27 to be Rb2S2O7" +mp-771214,Rb2S2O7,-6.1894190507,-2.1111655182,0.0053396357,-0.0952485178,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Rb-S,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_27i_7i_7i:O-Rb-S, expected Rb7S7O27 to be Rb2S2O7" +mp-770773,Rb2S2O7,-6.1947586864,-2.1165051539,0.0,-0.1005881535,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Rb-S,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_25e_5e_5e:O-Rb-S, expected RbSO5 to be Rb2S2O7" +mp-752728,Rb2S2O7,-6.1910642495,-2.112810717,0.0036944368,-0.0968937167,GGA,C2/c,A7B2C2_mC44_15_e3f_f_f:O-Rb-S,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_e6f_f_f:O-Rb-S, expected Rb2S2O13 to be Rb2S2O7" +mp-1190618,RbSO4,-6.0244690167,-1.8738458859,0.0662838384,0.0662838384,GGA,P2_1,A4BC_mP24_4_8a_2a_2a:O-Rb-S,24.0,A4BC_mP24_4_8a_2a_2a:O-Rb-S +mp-1179741,RbSO4,-5.5510190608,-1.4003959301,0.5397337943,0.5397337943,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:O-Rb-S,48.0,A4BC_mP48_14_8e_2e_2e:O-Rb-S +mp-1199594,RbSO4,-6.0179340765,-1.8673109457,0.0728187786,0.0728187786,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:O-Rb-S,48.0,A4BC_mP48_14_8e_2e_2e:O-Rb-S +mp-1209199,RbSO4,-6.0175610188,-1.866937888,0.0731918364,0.0731918364,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Rb-S,24.0,A4BC_mP24_14_4e_e_e:O-Rb-S +mp-974650,Re2S2O13,-7.5868484494,-1.8533833112,0.0,-0.0371384797,GGA,Pba2,A13B2C2_oP34_32_a6c_c_c:O-Re-S,34.0,A13B2C2_oP34_32_a6c_c_c:O-Re-S +mp-1205130,Re2S2O13,-7.578881341,-1.8454162028,0.0079671084,-0.0291713713,GGA,Pbcm,A13B2C2_oP68_57_c2d5e_e_cd:O-Re-S,68.0,A13B2C2_oP68_57_c2d5e_e_cd:O-Re-S +mp-3372,Rb2SO4,-5.9636752121,-2.2659219469,0.0,-0.2816258082,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:O-Rb-S,28.0,A4B2C_oP28_62_2cd_2c_c:O-Rb-S +mp-676329,Rb5Re3S7,-5.849059855,-1.102966456,0.0,-0.0353435426,GGA,P1,A5B3C7_aP30_1_10a_6a_14a:Rb-Re-S,30.0,A5B3C7_aP30_1_10a_6a_14a:Rb-Re-S +mp-557824,Rb2(ReS2)3,-6.8831553020000005,-1.0546690383,0.0,-0.0219382428,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Rb-Re-S,44.0,"Invalid WP multiplicities - A2B3C6_mC88_15_4e4f_7f_18f:Rb-Re-S, expected Rb6Re7S18 to be Rb2(ReS2)3" +mp-3404,RbSO3,-6.0697816283,-2.0783716137,0.0069709532,0.0069709532,GGA,P321,A3BC_hP30_150_3g_ef_c2d:O-Rb-S,30.0,A3BC_hP30_150_3g_ef_c2d:O-Rb-S +mp-1203934,Re3S4O9,-6.7354904956,-0.5855167816,1.0896218831,1.0896218831,GGA,R-3,A9B3C4_hR96_148_3f_f_cf:O-Re-S,32.0,"Invalid WP multiplicities - A9B3C4_hR96_148_5f_f_cf:O-Re-S, expected Re3S4O15 to be Re3S4O9" +mp-559212,RbReSO3,-7.3709589504,-1.9706960741,0.0569515375,0.0569515375,GGA,P2_1/c,A3BCD_mP24_14_3e_e_e_e:O-Rb-Re-S,24.0,"Invalid WP multiplicities - A3BCD_mP24_14_11e_e_e_e:O-Rb-Re-S, expected RbReSO11 to be RbReSO3" +mp-1193841,Rb3(SO4)2,-6.0129713831,-2.1062012568,0.0093550489,0.0093550489,GGA,C2/c,A8B3C2_mC52_15_4f_ef_f:O-Rb-S,26.0,A8B3C2_mC52_15_4f_ef_f:O-Rb-S +mp-1202497,Rb3(SO4)2,-6.0113166248,-2.1045464986,0.0110098072,0.0110098072,GGA,C2/c,A8B3C2_mC208_15_16f_2e5f_4f:O-Rb-S,104.0,A8B3C2_mC208_15_16f_2e5f_4f:O-Rb-S +mp-29825,K2Si2O5,-7.10660384,-2.9060618944,0.0,-0.0125326787,GGA,Cc,A2B5C2_mC108_9_6a_15a_6a:K-O-Si,54.0,"Invalid WP multiplicities - A2B5C2_mC108_9_6a_17a_7a:K-O-Si, expected K6Si7O17 to be K2Si2O5" +mp-18700,K4SiO4,-5.6180831575,-2.3232310838,0.0,-0.0421083758,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:K-O-Si,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_5e_6e_e:K-O-Si, expected K5SiO6 to be K4SiO4" +mp-30990,K6Si2O7,-5.9636807673,-2.4876907193,0.0,-0.0234794457,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:K-O-Si,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_4e_2a4e_e:K-O-Si, expected K4SiO5 to be K6Si2O7" +mp-1211961,K(SiO2)2,-7.1383038929,-2.6029053426,0.3293426471,0.3293426471,GGA,P6_3/mmc,AB4C2_hP14_194_b_cg_f:K-O-Si,14.0,AB4C2_hP14_194_b_cg_f:K-O-Si +mp-734012,K2LuSi4O11,-7.7364349576,-3.1332907155,0.0143980848,0.0143980848,GGA,P2_1/m,A2BC11D4_mP72_11_4e_f_6e8f_4f:K-Lu-O-Si,72.0,A2BC11D4_mP72_11_4e_f_6e8f_4f:K-Lu-O-Si +mp-1184941,KLuO3,-6.478484566,-2.3842014459,0.2356623991,0.2356623991,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Lu-O,5.0,ABC3_cP5_221_a_b_c:K-Lu-O +mp-558603,K2Si4O9,-7.630625236,-3.0678073417,0.0,-0.0169573693,GGA,P-1,A2B9C4_aP30_2_2i_9i_4i:K-O-Si,30.0,"Invalid WP multiplicities - A2B9C4_aP30_2_2i_17i_7i:K-O-Si, expected K2Si7O17 to be K2Si4O9" +mp-8380,K2Si4O9,-7.5998855263,-3.037067632,0.0307397097,0.0137823403,GGA,P6_3/m,A2B9C4_hP30_176_f_hi_bh:K-O-Si,30.0,A2B9C4_hP30_176_f_hi_bh:K-O-Si +mp-653861,K3Lu(SiO3)3,-7.4181547509,-3.1276360102,0.005258607,0.005258607,GGA,Pmn2_1,A3BC9D3_oP64_31_4ab_b_2a8b_3b:K-Lu-O-Si,64.0,"Invalid WP multiplicities - A3BC9D3_oP64_31_8a3b_b_4a32b_9b:K-Lu-O-Si, expected K7LuSi9O34 to be K3Lu(SiO3)3" +mp-1211221,KSi4O9,-7.6690615729,-2.8596423251000003,0.1844110747,0.1844110747,GGA,P6/mmm,AB9C4_hP14_191_b_aci_h:K-O-Si,14.0,AB9C4_hP14_191_b_aci_h:K-O-Si +mp-1178135,KLuO2,-7.067571045,-3.1863893226,0.0,-0.140257253,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Lu-O,4.0,ABC2_hR12_166_a_b_c:K-Lu-O +mp-557543,K3LuSi2O7,-7.2006952623,-3.0984180008,0.0,-0.0515294671,GGA,P6_3/mmc,A3BC7D2_hP26_194_bf_a_ck_f:K-Lu-O-Si,26.0,"Invalid WP multiplicities - A3BC7D2_hP26_194_bf_a_2c2k_f:K-Lu-O-Si, expected K3Lu(SiO7)2 to be K3LuSi2O7" +mp-1199261,KSiO3,-6.7428232308,-2.4676666086,0.1477890964,0.1477890964,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:K-O-Si,40.0,AB3C_oC80_64_ef_2f2g_df:K-O-Si +mp-1198795,KSiO3,-6.740625377,-2.4654687549,0.1499869501,0.1499869501,GGA,Cmce,AB3C_oC80_64_ef_2f2g_df:K-O-Si,40.0,AB3C_oC80_64_ef_2f2g_df:K-O-Si +mp-974061,KSiO3,-6.420598784,-2.1454421619,0.4700135431,0.4700135431,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Si,5.0,AB3C_cP5_221_a_c_b:K-O-Si +mp-15379,K2SiO3,-6.4233785679,-2.6756815583,0.0,-0.0311016483,GGA,P2_1/c,A2B3C_mP72_14_6e_9e_3e:K-O-Si,72.0,"Invalid WP multiplicities - A2B3C_mP72_14_9e_12e_3e:K-O-Si, expected K3SiO4 to be K2SiO3" +mp-1225574,Dy5Si2BO13,-8.7162440129,-3.7223909044,0.0265777501,0.0265777501,GGA,Pm,AB5C13D2_mP42_6_2a_3a3b2c_7a7b6c_a3b:B-Dy-O-Si,42.0,"Invalid WP multiplicities - AB5C13D2_mP42_6_2a_3a3b3c_7a7b12c_a3b:B-Dy-O-Si, expected Dy6Si2BO19 to be Dy5Si2BO13" +mp-972822,SiBO3,-6.378583398,-0.9896282111,1.916299451,1.916299451,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Si,5.0,AB3C_cP5_221_b_c_a:B-O-Si +mp-972839,SiBO3,-6.38929876,-1.0003435731,1.905584089,1.905584089,GGA,Pm-3m,AB3C_cP5_221_a_c_b:B-O-Si,5.0,AB3C_cP5_221_a_c_b:B-O-Si +mp-1200687,Dy2B3O8,-8.5131298512,-3.2188791833,0.0466559016,0.0466559016,GGA,Pbcn,A3B2C8_oP52_60_cd_d_4d:B-Dy-O,52.0,A3B2C8_oP52_60_cd_d_4d:B-Dy-O +mp-16600,Dy2B4O9,-8.653811936,-3.290389325,0.018478475,0.018478475,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-Dy-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_4i_2i_12i:B-Dy-O, expected Dy(BO3)2 to be Dy2B4O9" +mp-972793,Si2B2O5,-6.4543819789,-1.0162860725,1.7077430692000002,1.7077430692000002,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:B-O-Si,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:B-O-Si, expected Si2B2O9 to be Si2B2O5" +mp-18108,Dy4(B2O5)3,-8.684072220800001,-3.3759190746,0.0202374136,0.0202374136,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-Dy-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_3f_2f_e11f:B-Dy-O, expected Dy4B6O23 to be Dy4(B2O5)3" +mp-12315,DyBO3,-8.7523384695,-3.5270895206,0.0,-0.0454161865,GGA,P-1,ABC3_aP20_2_2i_2i_6i:B-Dy-O,20.0,ABC3_aP20_2_2i_2i_6i:B-Dy-O +mp-10792,DyBO3,-8.7239357467,-3.4986867977,0.0284027228,-0.0170134637,GGA,P-1,ABC3_aP60_2_6i_6i_18i:B-Dy-O,60.0,ABC3_aP60_2_6i_6i_18i:B-Dy-O +mp-753318,DyBO3,-8.692332451,-3.4670835021,0.0600060185,0.014589832,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Dy-O,10.0,"Invalid WP multiplicities - ABC3_oC20_40_b_a_2b2c:B-Dy-O, expected DyBO6 to be DyBO3" +mp-3261,Dy(BO2)3,-8.632266381800001,-3.1997569398,0.0,-0.0322600244,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Dy-O,160.0,"Invalid WP multiplicities - A3BC6_oP160_62_7d_4c_6c14d:B-Dy-O, expected Dy2B7O17 to be Dy(BO2)3" +mp-1212938,Dy5B3O13,-8.5570738486,-3.4437851458,0.0304322811,0.0304322811,GGA,P6_3/m,A3B5C13_hP42_176_h_fh_a2hi:B-Dy-O,42.0,A3B5C13_hP42_176_h_fh_a2hi:B-Dy-O +mp-1218009,Ta6Ti(CS2)3,-9.3697511381,-1.1480727959,0.0103441119,0.0103441119,GGA,C2/m,A3B6C6D_mC32_12_ag_ij_ij_d:C-S-Ta-Ti,16.0,"Invalid WP multiplicities - A3B6C6D_mC32_12_ag_2i2j_2i2j_c:C-S-Ta-Ti, expected Ta12Ti(CS4)3 to be Ta6Ti(CS2)3" +mp-2232,CS2,-5.8985451,-0.0646900246,0.2257986493,0.2257986493,GGA,Cmce,AB2_oC12_64_a_f:C-S,6.0,AB2_oC12_64_a_f:C-S +mp-28709,C15S4,-7.9629316654,0.1936884322,0.2854216977,0.2854216977,GGA,C2/c,A15B4_mC304_15_30f_8f:C-S,152.0,A15B4_mC304_15_30f_8f:C-S +mp-1214378,C2S,-7.3947285723,0.1365317117,0.2817760486,0.2817760486,GGA,P2_1,A2B_mP48_4_16a_8a:C-S,48.0,A2B_mP48_4_16a_8a:C-S +mp-559976,Ta2CS2,-9.37194277,-1.1285186727,0.007428448,-0.0554394595,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-S-Ta,5.0,AB2C2_hP5_164_a_d_d:C-S-Ta +mp-7814,Ta2CS2,-9.379371218,-1.1359471207,0.0,-0.0628679075,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-S-Ta,5.0,AB2C2_hR15_166_a_c_c:C-S-Ta +mp-734582,CS3,-5.0778330988,0.3316706745,0.6584704326,0.6584704326,GGA,P2_1/c,AB3_mP64_14_4e_12e:C-S,64.0,AB3_mP64_14_4e_12e:C-S +mp-30078,C3S8,-5.6618370168,-0.1366010702,0.1802956649,0.1802956649,GGA,P-1,A3B8_aP22_2_3i_8i:C-S,22.0,A3B8_aP22_2_3i_8i:C-S +mp-1215137,CS30,-3.5591430881,0.741571799,0.938354449,0.938354449,GGA,C2/m,AB30_mC62_12_a_i7j:C-S,31.0,"Invalid WP multiplicities - AB30_mC62_12_a_i21j:C-S, expected CS86 to be CS30" +mp-1215005,CS5,-4.668295494,0.3168569772,0.6799678195000001,0.6799678195000001,GGA,Pnma,AB5_oP48_62_2c_4c3d:C-S,48.0,AB5_oP48_62_2c_4c3d:C-S +mp-1203337,C3S4,-6.3051114805,0.0137165116,0.2627068035,0.2627068035,GGA,P2_1/c,A3B4_mP56_14_6e_8e:C-S,56.0,A3B4_mP56_14_6e_8e:C-S +mp-3732,Ti2CS,-8.6666891112,-1.3776642631,0.0,-0.1132150063,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-S-Ti,8.0,ABC2_hP8_194_a_c_f:C-S-Ti +mp-1147643,CS,-5.553263845,1.1292938347,1.3471603401,1.3471603401,GGA,P4/nmm,AB_tP4_129_a_c:C-S,4.0,AB_tP4_129_a_c:C-S +mp-1214152,C2S3,-6.159956233,0.0133798841,0.2748196906,0.2748196906,GGA,P2_1/c,A2B3_mP20_14_2e_3e:C-S,20.0,A2B3_mP20_14_2e_3e:C-S +mp-1214192,C2S3,-6.190921827,-0.0175857099,0.2438540966,0.2438540966,GGA,P2_1/c,A2B3_mP40_14_4e_6e:C-S,40.0,A2B3_mP40_14_4e_6e:C-S +mp-27814,CS14,-4.882615052,-0.4066841434,0.0,-0.3732927707,GGA,R-3m,AB14_hR45_166_a_cgh:C-S,15.0,"Invalid WP multiplicities - AB14_hR45_166_a_cg2h:C-S, expected CS20 to be CS14" +mp-569458,AlV4C3,-8.9763110331,-0.5054114597,0.0117020435,0.0117020435,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-C-V,16.0,"Invalid WP multiplicities - AB3C4_hP16_194_c_2a2f_2e2f:Al-C-V, expected Al(V4C3)2 to be AlV4C3" +mp-999068,Ti2AlV,-7.26063982,-0.1055233367,0.1357912325,0.1357912325,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Ti-V,4.0,AB2C_cF16_216_a_bc_d:Al-Ti-V +mp-1217015,TiAl2V,-6.422587055,-0.3049496183,0.0233205979,0.0233205979,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Ti-V,4.0,A2BC_tP4_123_h_a_b:Al-Ti-V +mp-1025497,AlV2C,-8.3009435063,-0.5154301406,0.0,-0.060079862,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-V,8.0,ABC2_hP8_194_c_a_f:Al-C-V +mp-1216691,TiVC2,-9.48123831,-0.6220560421,0.0313659837,0.0313659837,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ti-V,4.0,A2BC_hR12_166_c_a_b:C-Ti-V +mp-1217042,TiAlVC,-8.0852972287,-0.5968873765,0.0107264063,0.0107264063,GGA,P-3m1,ABCD_hP8_164_d_ab_d_d:Al-C-Ti-V,8.0,ABCD_hP8_164_d_ab_d_d:Al-C-Ti-V +mp-1214915,Al3(V3C2)4,-8.9773459915,-0.5393927624,0.0,-0.0107601188,GGA,P6_3/mcm,A3B8C12_hP46_193_g_dk_ehk:Al-C-V,46.0,A3B8C12_hP46_193_g_dk_ehk:Al-C-V +mp-1217032,TiAlV2,-7.5344659375,-0.0822459408,0.121226325,0.121226325,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Al-Ti-V,4.0,ABC2_oC8_35_a_b_ab:Al-Ti-V +mp-30901,V2Te2O9,-7.2302610412,-1.9245208621,0.0,-0.0011992516,GGA+U,P2_1/c,A9B2C2_mP52_14_9e_2e_2e:O-Te-V,52.0,"Invalid WP multiplicities - A9B2C2_mP52_14_12e_2e_2e:O-Te-V, expected VTeO6 to be V2Te2O9" +mp-556295,V2Te2O9,-7.2179717312,-1.9122315521,0.01228931,0.0110900584,GGA+U,Fdd2,A9B2C2_oF104_43_a4b_b_b:O-Te-V,26.0,"Invalid WP multiplicities - A9B2C2_oF104_43_2a13b_b_b:O-Te-V, expected VTeO14 to be V2Te2O9" +mp-1209108,ScVO2,-8.887839252500001,-2.5604011031,0.4487237136,0.4487237136,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-Sc-V,16.0,A2BC_tI32_141_h_c_d:O-Sc-V +mp-1100777,VTeO3,-6.760054014,-1.3465983946,0.6041662494000001,0.6041662494000001,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Te-V,5.0,A3BC_cP5_221_c_a_b:O-Te-V +mp-863413,Sc7V9O24,-9.2779763523,-3.1579021664,0.0048648177,0.0048648177,GGA+U,P1,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V,40.0,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V +mp-864832,Sc7V9O24,-5.9070487352,0.2130254506,3.3757924347,3.3757924347,GGA+U,P1,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V,40.0,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V +mp-1354180,Sc7V9O24,-6.7025968968,-0.5825227109000001,2.5802442732,2.5802442732,GGA+U,P1,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V,40.0,A24B7C9_aP40_1_24a_7a_9a:O-Sc-V +mp-1209615,ScV2O2,-8.039466667,-1.1607349335,1.2465649199,1.2465649199,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Sc-V,20.0,A2BC2_tI40_141_h_c_h:O-Sc-V +mp-1237488,ScV2O2,-7.913913031,-1.0351812975,1.3721185559,1.3721185559,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Sc-V,20.0,A2BC2_tI40_141_h_c_h:O-Sc-V +mp-1173573,Sc10V10O37,-8.6109364746,-2.6953007892,0.4139607152,0.4139607152,GGA+U,R3m,A37B10C10_hR171_160_37a_10a_10a:O-Sc-V,57.0,A37B10C10_hR171_160_37a_10a_10a:O-Sc-V +mp-1197295,ScV(TeO4)2,-7.3866618698,-2.2802871488,0.006036848,0.006036848,GGA+U,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Te-V,48.0,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Te-V +mp-1103413,ScVO4,-8.8771846117,-3.009996275,0.0327218667,-0.0202467522,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-Sc-V,12.0,A4BC_tI24_88_f_a_b:O-Sc-V +mp-19247,ScVO4,-8.9099064783,-3.0427181417,0.0,-0.0529686189,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-Sc-V,12.0,A4BC_tI24_141_h_a_b:O-Sc-V +mp-761285,Sc2V2O7,-9.0743765109,-3.1235063901,0.0341502872,0.0341502872,GGA+U,C2/m,A7B2C2_mC22_12_aij_h_i:O-Sc-V,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_ai2j_h_i:O-Sc-V, expected Sc2V2O11 to be Sc2V2O7" +mp-756234,Sc2V2O7,-9.0566301027,-3.1057599819,0.0518966953,0.0518966953,GGA+U,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sc-V,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-Sc-V, expected ScVO10 to be Sc2V2O7" +mp-762679,V(TeO3)4,-6.3051655088,-1.5394364395,0.0727131419,0.0727131419,GGA+U,P1,A12B4C_aP17_1_12a_4a_a:O-Te-V,34.0,A12B4C_aP17_1_12a_4a_a:O-Te-V +mp-756546,ScVO3,-9.2542998155,-3.2030115538,0.0493919895,0.0493919895,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Sc-V,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Sc-V, expected ScVO7 to be ScVO3" +mp-972978,ScVO3,-8.577903116,-2.5266148543,0.725788689,0.725788689,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Sc-V,5.0,A3BC_cP5_221_c_a_b:O-Sc-V +mp-1201569,Sc2VO5,-9.2067863905,-3.396500411,0.01485606,0.01485606,GGA+U,I-4,A5B2C_tI80_82_a2e5g_f2g_cg:O-Sc-V,40.0,A5B2C_tI80_82_a2e5g_f2g_cg:O-Sc-V +mp-559505,VTeO4,-7.3176949125,-1.9820337778,0.0217843583,0.0063035919,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Te-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_12e_e_e:O-Te-V, expected VTeO12 to be VTeO4" +mp-30525,VTeO4,-7.3394792708,-2.0038181361,0.0,-0.0154807665,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Te-V,24.0,A4BC_mP24_14_4e_e_e:O-Te-V +mp-504651,CsVO3,-7.3827109065,-2.4188359913,0.0,-0.1268080405,GGA+U,Pbcm,AB3C_oP20_57_d_c2d_d:Cs-O-V,20.0,AB3C_oP20_57_d_c2d_d:Cs-O-V +mp-1192739,Cs2V3O8,-7.7333967469,-2.4552403897,0.0,-0.0129450863,GGA+U,P4bm,A2B8C3_tP26_100_c_abcd_ac:Cs-O-V,26.0,A2B8C3_tP26_100_c_abcd_ac:Cs-O-V +mp-770857,V(SbO3)4,-6.8419255069,-1.8442681207,0.0192911108,0.0192911108,GGA+U,P1,A12B4C_aP17_1_12a_4a_a:O-Sb-V,68.0,A12B4C_aP17_1_12a_4a_a:O-Sb-V +mp-651814,CsV3O8,-8.0205326004,-2.3771467444,0.0,-0.0328464842,GGA+U,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:Cs-O-V,24.0,AB8C3_mP24_11_e_2e3f_ef:Cs-O-V +mp-1100948,V11Sb9O40,-7.789555712,-2.2070302723,0.0534635958,0.0534635958,GGA+U,P2/m,A40B9C11_mP60_10_10m10n_a2m2n_c2m3n:O-Sb-V,60.0,"Invalid WP multiplicities - A40B9C11_mP60_10_19m16n_a4m4n_c3m5n:O-Sb-V, expected V17Sb17O70 to be V11Sb9O40" +mp-19243,VSb2O5,-7.2815540094,-2.0221349961,0.033984428,0.033984428,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_e:O-Sb-V,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_e3f_f_e:O-Sb-V, expected VSb2O7 to be VSb2O5" +mp-622171,VSb2O5,-7.2797501825,-2.0203311692,0.0357882549,0.0357882549,GGA+U,Pnma,A5B2C_oP32_62_c2d_d_c:O-Sb-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_3c11d_d_c:O-Sb-V, expected VSb2O25 to be VSb2O5" +mp-2234320,CsV2O5,-7.8562001725,-2.381617914,0.0784756328,0.0784756328,GGA+U,Cm,AB5C2_mC16_8_a_3ab_2a:Cs-O-V,8.0,AB5C2_mC16_8_a_3ab_2a:Cs-O-V +mp-540690,CsV2O5,-7.9315396319,-2.4569573733,0.0031361734,0.0031361734,GGA+U,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cs-O-V,32.0,AB5C2_mP32_14_e_5e_2e:Cs-O-V +mp-1078919,CsV2O5,-7.8275348162,-2.3529525577,0.1071409891,0.1071409891,GGA+U,P6mm,AB5C2_hP8_183_a_bc_b:Cs-O-V,8.0,"Invalid WP multiplicities - AB5C2_hP8_183_a_b2c_b:Cs-O-V, expected CsV2O8 to be CsV2O5" +mp-1100902,VSbO4,-7.7158000737,-2.2158563813,0.0201230396,-0.0423434338,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Sb-V,24.0,A4BC_oC12_65_gj_a_c:O-Sb-V +mp-1100910,VSbO4,-4.1486310567,1.3513126358,3.5872920567,3.5248255833,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Sb-V,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gj_c_a:O-Sb-V, expected VSbO6 to be VSbO4" +mp-29146,VSbO4,-7.7359231133,-2.2359794208,0.0,-0.0624664734,GGA+U,I4_1md,A4BC_tI24_109_2b_a_a:O-Sb-V,24.0,A4BC_tI24_109_2b_a_a:O-Sb-V +mp-560444,Cs2V4O9,-7.9830263743,-2.4732512126,8.684570000000001e-05,-0.0155901953,GGA+U,P4_2/m,A2B9C4_tP30_84_j_e2k_k:Cs-O-V,30.0,"Invalid WP multiplicities - A2B9C4_tP30_84_j_2e12k_k:Cs-O-V, expected CsV2O25 to be Cs2V4O9" +mp-28948,Cs2V4O9,-7.98311322,-2.4733380583,0.0,-0.0156770409,GGA+U,I-42d,A2B9C4_tI60_122_d_a2e_e:Cs-O-V,30.0,A2B9C4_tI60_122_d_a2e_e:Cs-O-V +mp-616573,Cs2V5O13,-7.9882868745,-2.4124224575,0.0,-0.0020969921,GGA+U,I4mm,A2B13C5_tI40_107_b_a2cd_ac:Cs-O-V,20.0,"Invalid WP multiplicities - A2B13C5_tI40_107_b_a5c2d_a2c:Cs-O-V, expected Cs2V9O29 to be Cs2V5O13" +mp-1196047,CsV2SbO8,-7.4828092744,-2.2523321542,0.0,-0.0464216039,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Cs-O-Sb-V,48.0,AB8CD2_mP48_14_e_8e_e_2e:Cs-O-Sb-V +mp-754634,Li6WO6,-6.42566173,-2.264754061,0.0097366285,0.0097366285,GGA+U,R-3,A6B6C_hR39_148_f_f_a:Li-O-W,13.0,A6B6C_hR39_148_f_f_a:Li-O-W +mp-1379381,Si2WO7,-8.31540078,-2.4718420531,0.3657031311,0.3657031311,GGA+U,C2/c,A7B2C_mC80_15_7f_2f_ae:O-Si-W,40.0,"Invalid WP multiplicities - A7B2C_mC80_15_27f_5f_ae:O-Si-W, expected Si5WO27 to be Si2WO7" +mp-504103,Li(WO2)2,-8.6096178271,-1.807912374,0.2418568679,0.2418568679,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Li-O-W,14.0,AB4C2_cF56_227_a_e_d:Li-O-W +mp-729583,Li4WO5,-3.326070242,1.2066562833,3.544887576,3.502330476,GGA+U,P-1,A4B5C_aP20_2_bd3i_5i_i:Li-O-W,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bd6i_9i_i:Li-O-W, expected Li7WO9 to be Li4WO5" +mp-1413517,Li4WO5,-5.327534099,-0.7948075737,1.5434237190000002,1.500866619,GGA+U,P-1,A4B5C_aP20_2_bc3i_5i_i:Li-O-W,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bc6i_9i_i:Li-O-W, expected Li7WO9 to be Li4WO5" +mp-690542,Li4WO5,-6.870957818,-2.3382312927,0.0,-0.0425571,GGA+U,I4,A4B5C_tI20_79_c_ac_a:Li-O-W,10.0,A4B5C_tI20_79_c_ac_a:Li-O-W +mp-1192707,Li5W2O7,-7.216954865,-2.2106908813,0.0477486514,0.0477486514,GGA+U,P-1,A5B7C2_aP28_2_5i_7i_2i:Li-O-W,28.0,A5B7C2_aP28_2_5i_7i_2i:Li-O-W +mp-1143551,Si3(WO6)2,-8.595354674,-2.6216794337,0.1398974732,0.1398974732,GGA+U,Ia-3d,A12B3C2_cI136_230_h_d_a:O-Si-W,68.0,A12B3C2_cI136_230_h_d_a:O-Si-W +mp-685395,Li17(WO3)19,-8.132074256,-2.1039299588,0.1487628694,0.1487628694,GGA+U,P-1,A17B57C19_aP93_2_b8i_aeh27i_c9i:Li-O-W,93.0,"Invalid WP multiplicities - A17B57C19_aP93_2_b15i_aeh54i_c17i:Li-O-W, expected Li31W35O111 to be Li17(WO3)19" +mp-1222771,Li3(WO3)8,-8.724750646,-2.2072552314,0.0131057507,0.0131057507,GGA+U,C2/m,A3B24C8_mC70_12_ai_4i4j_efj:Li-O-W,35.0,"Invalid WP multiplicities - A3B24C8_mC70_12_ai_8i16j_2e2fj:Li-O-W, expected Li3(W3O20)4 to be Li3(WO3)8" +mp-1222776,Li3(WO3)8,-8.7106369246,-2.19314151,0.0272194721,0.0272194721,GGA+U,Pmmm,A3B24C8_oP35_47_abg_uvwxyz_A:Li-O-W,35.0,"Invalid WP multiplicities - A3B24C8_oP35_47_abg_2u3v2w3x3y2z_A:Li-O-W, expected Li3(W2O15)4 to be Li3(WO3)8" +mp-675212,Li3(WO3)8,-8.7112744377,-2.1937790231,0.026581959,0.026581959,GGA+U,Pm-3,A3B24C8_cP35_200_c_jk_i:Li-O-W,35.0,"Invalid WP multiplicities - A3B24C8_cP35_200_c_9j10k_i:Li-O-W, expected Li3(W2O57)4 to be Li3(WO3)8" +mp-766827,Li6W2O9,-7.1279750053,-2.3109164135,0.0334361741,0.0334361741,GGA+U,C2/c,A6B9C2_mC68_15_3f_a4f_2e:Li-O-W,34.0,"Invalid WP multiplicities - A6B9C2_mC68_15_11f_c13f_2e:Li-O-W, expected Li22W2O27 to be Li6W2O9" +mp-1043760,Si4WO10,-8.4290804913,-2.8206611938,0.2012674217,0.2012674217,GGA+U,P4/ncc,A10B4C_tP60_130_f2g_g_c:O-Si-W,60.0,"Invalid WP multiplicities - A10B4C_tP60_130_f5g_g_c:O-Si-W, expected Si4WO22 to be Si4WO10" +mp-771579,Li7W5O16,-7.8591065011,-2.241244694,0.0360205873,0.0360205873,GGA+U,P1,A7B16C5_aP28_1_7a_16a_5a:Li-O-W,28.0,A7B16C5_aP28_1_7a_16a_5a:Li-O-W +mp-771242,Li7W5O16,-7.7963611696,-2.1784993626,0.0987659187,0.0987659187,GGA+U,Cm,A7B16C5_mC56_8_5ab_8a4b_3ab:Li-O-W,28.0,"Invalid WP multiplicities - A7B16C5_mC56_8_5a2b_8a6b_3ab:Li-O-W, expected Li9(WO4)5 to be Li7W5O16" +mp-1198827,Li14W7O32,-6.8435159645,-1.6411410494,0.5343799891000001,0.5343799891000001,GGA+U,P-43m,A14B32C7_cP53_215_adeg_2e2i_ce:Li-O-W,53.0,A14B32C7_cP53_215_adeg_2e2i_ce:Li-O-W +mp-689312,Li2W2O7,-8.0935764223,-2.242583043,0.0518660815,0.0518660815,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Li-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_4i_11i_3i:Li-O-W, expected Li4W3O11 to be Li2W2O7" +mp-27130,Li2W2O7,-8.1332368623,-2.282243483,0.0122056415,0.0122056415,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Li-O-W,22.0,A2B7C2_aP22_2_2i_7i_2i:Li-O-W +mp-25467,LiWO2,-7.939861675,-1.7497540452,0.3092060875,0.3092060875,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Li-O-W,4.0,AB2C_hR12_166_a_c_b:Li-O-W +mp-1202844,Li2WO12,-5.8268961287,-0.7511467621,0.3470783232,0.3470783232,GGA+U,P2_1/c,A2B12C_mP60_14_2e_12e_e:Li-O-W,60.0,A2B12C_mP60_14_2e_12e_e:Li-O-W +mp-1212077,Li2WO12,-5.6317240837,-0.5559747171,0.5422503682,0.5422503682,GGA+U,P2_1/c,A2B12C_mP60_14_2e_12e_e:Li-O-W,60.0,A2B12C_mP60_14_2e_12e_e:Li-O-W +mp-755616,Li8WO6,-5.978406986,-2.1177639573,0.0211950236,0.0211950236,GGA+U,R-3,A8B6C_hR45_148_cf_f_a:Li-O-W,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-O-W, expected Li14WO6 to be Li8WO6" +mp-1249282,SiWO4,-8.7449864501,-2.3832859326,0.2694874724,0.2694874724,GGA+U,Ia-3d,A4BC_cI144_230_h_d_c:O-Si-W,72.0,A4BC_cI144_230_h_d_c:O-Si-W +mp-753700,Li2Si2WO7,-7.916404,-2.7286179165,0.0432251317,0.0432251317,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-Si-W,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_13i_3i_i:Li-O-Si-W, expected Li3Si3WO13 to be Li2Si2WO7" +mp-1143521,Si2WO6,-8.7258664722,-2.7826555214,0.0752041117,0.0752041117,GGA+U,C2/c,A6B2C_mC36_15_3f_f_e:O-Si-W,18.0,A6B2C_mC36_15_3f_f_e:O-Si-W +mp-1042247,Si2WO6,-8.5959325467,-2.6527215958,0.2051380372,0.2051380372,GGA+U,Pbca,A6B2C_oP72_61_6c_2c_c:O-Si-W,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_41c_8c_c:O-Si-W, expected Si8WO41 to be Si2WO6" +mp-1222509,Li4WO6,-6.5602474418,-1.9898879905,0.1406069327,0.1406069327,GGA+U,C2/m,A4B6C_mC22_12_gh_ij_a:Li-O-W,11.0,"Invalid WP multiplicities - A4B6C_mC22_12_g2h_ij_a:Li-O-W, expected Li6WO6 to be Li4WO6" +mp-756203,Li(WO3)2,-8.5812533817,-2.1917738712,0.037045231,0.037045231,GGA+U,Immm,AB6C2_oI36_71_ab_lmn_k:Li-O-W,18.0,"Invalid WP multiplicities - AB6C2_oI36_71_ab_3l4m4n_k:Li-O-W, expected Li(WO11)2 to be Li(WO3)2" +mp-1210972,Li12(WO4)7,-7.584253596,-2.2199712571,0.0693384786,0.0693384786,GGA+U,P-43m,A12B28C7_cP47_215_i_e2i_ce:Li-O-W,47.0,A12B28C7_cP47_215_i_e2i_ce:Li-O-W +mp-19260,Li2WO4,-7.5763445529,-2.3530972945,0.0,-0.0441929498,GGA+U,C2/c,A2B4C_mC28_15_f_2f_e:Li-O-W,14.0,"Invalid WP multiplicities - A2B4C_mC28_15_f_3f_e:Li-O-W, expected Li2WO6 to be Li2WO4" +mp-18933,Li2WO4,-7.5712369684,-2.3479897101,0.0051075845,-0.0390853653,GGA+U,I4_1/amd,A2B4C_tI112_141_fg_2hi_h:Li-O-W,56.0,"Invalid WP multiplicities - A2B4C_tI112_141_fg_5hi_h:Li-O-W, expected Li2WO7 to be Li2WO4" +mp-18902,Li2WO4,-7.5604316893,-2.337184431,0.0159128636,-0.0282800862,GGA+U,R-3,A2B4C_hR126_148_2f_4f_f:Li-O-W,42.0,"Invalid WP multiplicities - A2B4C_hR126_148_7f_20f_f:Li-O-W, expected Li7WO20 to be Li2WO4" +mp-685259,Y16Ti16O35,-9.0283650884,-3.014551432,0.3333626536,0.3333626536,GGA,P1,A35B16C16_aP67_1_35a_16a_16a:O-Ti-Y,67.0,A35B16C16_aP67_1_35a_16a_16a:O-Ti-Y +mp-759737,Ti3(SnO5)2,-8.3062962337,-2.8947957755,0.050028055,0.050028055,GGA,Cmm2,A10B2C3_oC60_35_5d5e_3ab_2a4b:O-Sn-Ti,30.0,"Invalid WP multiplicities - A10B2C3_oC60_35_10d10e_3ab_2a4b:O-Sn-Ti, expected Ti3(SnO10)2 to be Ti3(SnO5)2" +mp-1045032,YTi3O6,-9.2290311733,-3.2457232302,0.2413890829,0.2413890829,GGA,P-1,A6B3C_aP40_2_12i_bcde4i_2i:O-Ti-Y,40.0,"Invalid WP multiplicities - A6B3C_aP40_2_24i_bcde4i_4i:O-Ti-Y, expected Y2Ti3O12 to be YTi3O6" +mp-4355,YTiO3,-9.4524741755,-3.6120683227,0.0579532928,0.0579532928,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Ti-Y,20.0,A3BC_oP20_62_cd_a_c:O-Ti-Y +mp-1342458,YTiO3,-9.4555531183,-3.6151472656,0.0548743499,0.0548743499,GGA,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-Ti-Y,30.0,A3BC_hP30_185_ab2c_c_ab:O-Ti-Y +mp-1443298,YTiO3,-9.43245466,-3.5920488073,0.0779728083,0.0779728083,GGA,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-Ti-Y,10.0,A3BC_hP10_194_bf_c_a:O-Ti-Y +mp-1436662,YTiO3,-9.207710448,-3.3673045953000003,0.3027170203,0.3027170203,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ti-Y,5.0,A3BC_cP5_221_c_b_a:O-Ti-Y +mp-761148,Ti9SnO20,-9.1190867783,-3.318994304,0.0440763413,0.0440763413,GGA,C2/m,A20BC9_mC60_12_g5i2j_c_a4i:O-Sn-Ti,30.0,"Invalid WP multiplicities - A20BC9_mC60_12_2g9i5j_c_b6i:O-Sn-Ti, expected Ti13SnO42 to be Ti9SnO20" +mp-1045347,YTi2O4,-9.1863593714,-3.1800436583,0.2724267602,0.2724267602,GGA,Imma,A4B2C_oI28_74_hi_ae_c:O-Ti-Y,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_3h3i_ae_c:O-Ti-Y, expected YTi2O12 to be YTi2O4" +mp-1045424,YTi2O4,-9.2457956714,-3.2394799583,0.2129904602,0.2129904602,GGA,Imma,A4B2C_oI28_74_hi_ac_b:O-Ti-Y,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_4h3i_2a2c_b:O-Ti-Y, expected YTi4O14 to be YTi2O4" +mp-1409276,YTi2O4,-9.257327875,-3.2510121619,0.2014582566,0.2014582566,GGA,I4_1/a,A4B2C_tI28_88_f_c_b:O-Ti-Y,14.0,A4B2C_tI28_88_f_c_b:O-Ti-Y +mp-1400462,YTi2O4,-9.2111902771,-3.204874564,0.2475958545,0.2475958545,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Ti-Y,14.0,A4B2C_cF56_227_e_c_b:O-Ti-Y +mp-754246,TiSnO3,-8.104400851,-2.7553748499,0.0,-0.0016142283,GGA,R-3,A3BC_hR30_148_f_c_c:O-Sn-Ti,10.0,A3BC_hR30_148_f_c_c:O-Sn-Ti +mp-1018639,TiSnO3,-7.946378162,-2.5973521609,0.158022689,0.1564084607,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sn-Ti,5.0,A3BC_cP5_221_c_a_b:O-Sn-Ti +mp-757375,Ti2Sn3O10,-7.777125865,-2.6246867509,0.0413058697,0.0413058697,GGA,Cmm2,A10B3C2_oC60_35_5d5e_2a4b_3ab:O-Sn-Ti,30.0,"Invalid WP multiplicities - A10B3C2_oC60_35_10d10e_2a4b_3ab:O-Sn-Ti, expected Ti2Sn3O20 to be Ti2Sn3O10" +mp-1343054,YSnO3,-7.8458784605,-2.7826566401,0.2004359368,0.2004359368,GGA,P2_1/c,A3BC_mP20_14_3e_ad_e:O-Sn-Y,20.0,"Invalid WP multiplicities - A3BC_mP20_14_9e_2a2b_e:O-Sn-Y, expected YSn2O9 to be YSnO3" +mp-1376465,YSnO3,-7.867746203,-2.8045243826,0.1785681943,0.1785681943,GGA,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-Sn-Y,30.0,A3BC_hP30_185_ab2c_c_ab:O-Sn-Y +mp-1394022,YSnO3,-7.855947505,-2.7927256846,0.1903668923,0.1903668923,GGA,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-Sn-Y,10.0,A3BC_hP10_194_bf_c_a:O-Sn-Y +mp-1412687,YSnO3,-7.23591188,-2.1726900596,0.8104025173,0.8104025173,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sn-Y,5.0,A3BC_cP5_221_c_b_a:O-Sn-Y +mp-766168,Ti4SnO10,-8.845223668,-3.1746618657,0.0489931747,0.0489931747,GGA,P-1,A10BC4_aP30_2_10i_i_ae3i:O-Sn-Ti,30.0,"Invalid WP multiplicities - A10BC4_aP30_2_20i_i_ae5i:O-Sn-Ti, expected Ti6SnO20 to be Ti4SnO10" +mp-766163,TiSn9O20,-6.9977953513,-2.2339482534,0.0137975523,0.0137975523,GGA,C2/m,A20B9C_mC60_12_g5i2j_c4i_a:O-Sn-Ti,30.0,"Invalid WP multiplicities - A20B9C_mC60_12_2g10i6j_c7i_b:O-Sn-Ti, expected Ti(Sn5O16)3 to be TiSn9O20" +mp-1216104,Y2TiSnO7,-8.783636065,-3.3777426944,0.0106930022,0.0106930022,GGA,Imma,A7BCD2_oI44_74_3ej_a_c_bd:O-Sn-Ti-Y,22.0,"Invalid WP multiplicities - A7BCD2_oI44_74_5e4j_a_c_bd:O-Sn-Ti-Y, expected Y2TiSnO21 to be Y2TiSnO7" +mp-17559,Y2TiO5,-9.5556136378,-3.8603789129,0.0,-0.0386454038,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ti-Y,32.0,A5BC2_oP32_62_5c_c_2c:O-Ti-Y +mp-1365383,Y2Ti3O9,-9.4579603561,-3.6622734505,0.0447228927,0.0447228927,GGA,Pnma,A9B3C2_oP56_62_3c3d_ad_2c:O-Ti-Y,56.0,"Invalid WP multiplicities - A9B3C2_oP56_62_11c22d_4a4d_7c:O-Ti-Y, expected Y7Ti12O55 to be Y2Ti3O9" +mp-1216103,Y4Ti3SnO14,-9.1468961641,-3.5643700588,0.011233701,0.011233701,GGA,R-3m,A14BC3D4_hR66_166_c2h_a_d_be:O-Sn-Ti-Y,22.0,"Invalid WP multiplicities - A14BC3D4_hR66_166_c4h_a_d_be:O-Sn-Ti-Y, expected Y4Ti3SnO26 to be Y4Ti3SnO14" +mp-753048,TiSnO4,-8.0428110106,-2.7608412244,0.0445670011,0.0445670011,GGA,Cm,A4BC_mC36_8_6a3b_3a_3a:O-Sn-Ti,18.0,"Invalid WP multiplicities - A4BC_mC36_8_6a6b_3a_3a:O-Sn-Ti, expected TiSnO6 to be TiSnO4" +mp-1216649,TiSnO4,-8.05022128,-2.7682514939,0.0371567317,0.0371567317,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Sn-Ti,6.0,A4BC_oC12_65_gj_a_c:O-Sn-Ti +mp-773864,TiSnO4,-8.0211226617,-2.7391528756,0.06625535,0.06625535,GGA,I-4m2,A4BC_tI12_119_ef_a_c:O-Sn-Ti,6.0,"Invalid WP multiplicities - A4BC_tI12_119_2e2f_a_c:O-Sn-Ti, expected TiSnO8 to be TiSnO4" +mp-1216093,Y4TiSn3O14,-8.4228811032,-3.1936204672,0.0076471661,0.0076471661,GGA,R-3m,A14B3CD4_hR66_166_c2h_d_a_be:O-Sn-Ti-Y,22.0,"Invalid WP multiplicities - A14B3CD4_hR66_166_c4h_d_a_be:O-Sn-Ti-Y, expected Y4TiSn3O26 to be Y4TiSn3O14" +mp-852474,Ti(Sn2O5)2,-3.314904986,1.5784727839,3.9656341947,3.9656341947,GGA,P-1,A10B4C_aP30_2_10i_bd3i_i:O-Sn-Ti,30.0,"Invalid WP multiplicities - A10B4C_aP30_2_20i_bd4i_i:O-Sn-Ti, expected Ti(SnO4)5 to be Ti(Sn2O5)2" +mp-766391,Ti(Sn2O5)2,-7.2546680673,-2.3612902974,0.0258711133,0.0258711133,GGA,P-1,A10B4C_aP30_2_10i_ae3i_i:O-Sn-Ti,30.0,"Invalid WP multiplicities - A10B4C_aP30_2_20i_ae4i_i:O-Sn-Ti, expected Ti(SnO4)5 to be Ti(Sn2O5)2" +mp-686019,Y2Ti2O7,-9.3773371739,-3.618178334,0.1445934891,0.1445934891,GGA,P1,A7B2C2_aP44_1_28a_8a_8a:O-Ti-Y,44.0,A7B2C2_aP44_1_28a_8a_8a:O-Ti-Y +mp-1173093,Y2Ti2O7,-9.3616884998,-3.6025296599,0.1602421632,0.1602421632,GGA,P2,A7B2C2_mP44_3_14e_abcd2e_abcd2e:O-Ti-Y,44.0,"Invalid WP multiplicities - A7B2C2_mP44_3_27e_abcd4e_abcd4e:O-Ti-Y, expected Y2Ti2O9 to be Y2Ti2O7" +mp-685370,Y2Ti2O7,-9.4807313136,-3.7215724737,0.0411993493,0.0411993493,GGA,C2/m,A7B2C2_mC176_12_12i8j_ad3i2j_bcef3ij:O-Ti-Y,88.0,"Invalid WP multiplicities - A7B2C2_mC176_12_24i32j_ad6i6j_bc2e2f6i3j:O-Ti-Y, expected Y17Ti19O88 to be Y2Ti2O7" +mp-5373,Y2Ti2O7,-9.5127332832,-3.7535744433,0.0091973798,0.0091973798,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ti-Y,22.0,A7B2C2_cF88_227_af_d_c:O-Ti-Y +mp-3370,Y2Sn2O7,-8.0667274714,-3.01409957,0.0,-0.0587906178,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Sn-Y,22.0,A7B2C2_cF88_227_af_d_c:O-Sn-Y +mp-1407867,Y(SnO2)2,-7.135087335,-2.2390345252,0.3620920725,0.3620920725,GGA,I4_1/a,A4B2C_tI28_88_f_c_b:O-Sn-Y,14.0,A4B2C_tI28_88_f_c_b:O-Sn-Y +mp-1412720,Y(SnO2)2,-7.1348115771,-2.2387587674,0.3623678304,0.3623678304,GGA,R-3m,A4B2C_hR42_166_ch_ad_c:O-Sn-Y,14.0,"Invalid WP multiplicities - A4B2C_hR42_166_2c2h_a2d_c:O-Sn-Y, expected Y2Sn7O16 to be Y(SnO2)2" +mp-761118,Ti7Sn3O20,-8.5712128523,-3.0301817221,0.0540577133,0.0540577133,GGA,Cmmm,A20B3C7_oC60_65_gj2n2o_ck_ak2l:O-Sn-Ti,30.0,"Invalid WP multiplicities - A20B3C7_oC60_65_2g2j7n8o_ck_ak2l:O-Sn-Ti, expected Ti7Sn3O68 to be Ti7Sn3O20" +mp-18288,Ti(SnO2)2,-7.5330768625,-2.4328782094,0.0010576975,0.0010576975,GGA,P4_2/mbc,A4B2C_tP28_135_gh_h_d:O-Sn-Ti,28.0,A4B2C_tP28_135_gh_h_d:O-Sn-Ti +mp-765970,Ti3Sn7O20,-7.512428208,-2.489519766,0.0370572497,0.0370572497,GGA,Cmmm,A20B7C3_oC60_65_gj2n2o_ak2l_ck:O-Sn-Ti,30.0,"Invalid WP multiplicities - A20B7C3_oC60_65_2g2j7n5o_ak3l_ck:O-Sn-Ti, expected Ti3Sn9O56 to be Ti3Sn7O20" +mp-541790,Co(PO3)2,-7.5801749344,-2.2896132594,0.0700427177,0.0700427177,GGA+U,C2/c,AB6C2_mC72_15_ce_6f_2f:Co-O-P,36.0,AB6C2_mC72_15_ce_6f_2f:Co-O-P +mp-1213793,Co3(PO8)2,-6.2054758138,-0.9055435387,0.4466173146,0.4466173146,GGA+U,C2/m,A3B16C2_mC42_12_ag_2i3j_i:Co-O-P,21.0,A3B16C2_mC42_12_ag_2i3j_i:Co-O-P +mp-550886,Co2P2O7,-7.66923896,-2.2446879071,0.0096213577,-0.0034709857,GGA+U,P-1,A2B7C2_aP11_2_i_a3i_i:Co-O-P,22.0,A2B7C2_mC22_12_h_aij_i:Co-O-P +mp-20274,Co2P2O7,-7.6788603177,-2.2543092648,0.0,-0.0130923434,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Co-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:Co-O-P +mp-20283,Co2P2O7,-7.668914625,-2.2443635721,0.0099456927,-0.0031466507,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Co-O-P,22.0,A2B7C2_mC22_12_h_aij_i:Co-O-P +mp-550468,Co2P2O7,-7.6753572795,-2.2508062266,0.0035030382,-0.0095893052,GGA+U,P2_1/c,A2B7C2_mP22_14_e_a3e_e:Co-O-P,22.0,A2B7C2_mP22_14_e_a3e_e:Co-O-P +mp-1101577,Co2(PO3)5,-7.4824782416,-2.2332292056,0.1071584163,0.1071584163,GGA+U,Pc,A2B15C5_mP44_7_2a_15a_5a:Co-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_7_3a_30a_9a:Co-O-P, expected CoP3O10 to be Co2(PO3)5" +mp-1101575,Co2(PO3)5,-7.5820369148,-2.3327878788,0.0075997431,0.0075997431,GGA+U,P2/c,A2B15C5_mP44_13_g_e7g_f2g:Co-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_13_g_2e28g_2f7g:Co-O-P, expected CoP8O29 to be Co2(PO3)5" +mp-25878,Co3P3O11,-7.4379803906,-2.0274841124,0.1709053068,0.1709053068,GGA+U,P2_1/c,A3B11C3_mP68_14_3e_11e_3e:Co-O-P,68.0,"Invalid WP multiplicities - A3B11C3_mP68_14_9e_39e_12e:Co-O-P, expected Co3P4O13 to be Co3P3O11" +mp-2215792,CoP2O7,-7.2993465438,-2.043172165,0.0940607621,0.0940607621,GGA+U,P1,AB7C2_aP40_1_4a_28a_8a:Co-O-P,40.0,AB7C2_aP40_1_4a_28a_8a:Co-O-P +mp-540262,CoP2O7,-7.317883769,-2.0617093903,0.0755235368,0.0755235368,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Co-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Co-O-P, expected CoP2O13 to be CoP2O7" +mp-26780,CoP2O7,-7.3075701785,-2.0513957998,0.0858371273,0.0858371273,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Co-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Co-O-P, expected CoP2O13 to be CoP2O7" +mp-31552,CoP2O7,-7.2931398365,-2.0369654578,0.1002674693,0.1002674693,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_3i_28i_7i:Co-O-P, expected Co3(PO4)7 to be CoP2O7" +mp-26646,CoP2O7,-7.3131323413,-2.0569579625,0.0802749646,0.0802749646,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_4i_28i_7i:Co-O-P, expected Co4(PO4)7 to be CoP2O7" +mp-1355355,CoP2O7,-4.8142919588,0.44188242,2.5791153471,2.5791153471,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_4i_28i_7i:Co-O-P, expected Co4(PO4)7 to be CoP2O7" +mp-26996,CoP2O7,-7.316185297,-2.0600109183,0.0772220088,0.0772220088,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Co-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_12a_4a:Co-O-P, expected Co(PO3)4 to be CoP2O7" +mp-1244500,CoP2O7,-7.3161631875,-2.0599888088,0.0772441183,0.0772441183,GGA+U,P2_1,AB7C2_mP40_4_2a_14a_4a:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_4_2a_28a_8a:Co-O-P, expected Co(P2O7)2 to be CoP2O7" +mp-27044,CoP2O7,-7.318342061,-2.0621676823,0.0750652448,0.0750652448,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Co-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b5c_c:Co-O-P, expected CoP2O11 to be CoP2O7" +mp-697814,CoP2O7,-7.292063288,-2.0358889093,0.1013440178,0.1013440178,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_23e_7e:Co-O-P, expected CoP7O23 to be CoP2O7" +mp-1359531,CoP2O7,-7.2866306902,-2.0304563115,0.1067766156,0.1067766156,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_23e_7e:Co-O-P, expected CoP7O23 to be CoP2O7" +mp-766033,CoP2O7,-7.2868236785,-2.0306492998,0.1065836273,0.1065836273,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_5e:Co-O-P, expected Co(PO5)5 to be CoP2O7" +mp-689964,CoP2O7,-7.2970700538,-2.040895675,0.0963372521,0.0963372521,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_28e_5e:Co-O-P, expected CoP5O28 to be CoP2O7" +mp-26640,CoP2O7,-7.2924134285,-2.0362390498,0.1009938773,0.1009938773,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_6e:Co-O-P, expected Co(P2O9)3 to be CoP2O7" +mp-26716,CoP2O7,-7.3192395098,-2.063065131,0.0741677961,0.0741677961,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_24e_5e:Co-O-P, expected CoP5O24 to be CoP2O7" +mp-26662,CoP2O7,-7.3409978303,-2.0848234515,0.0524094756,0.0524094756,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_26e_5e:Co-O-P, expected CoP5O26 to be CoP2O7" +mp-1197310,CoP2O7,-7.274274877,-2.0181004983,0.1191324288,0.1191324288,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-P,80.0,AB7C2_mP80_14_2e_14e_4e:Co-O-P +mp-26198,CoP2O7,-7.3177402063,-2.0615658275,0.0756670996,0.0756670996,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Co-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_24f_4f:Co-O-P, expected Co(PO6)4 to be CoP2O7" +mp-1193155,Co3(PO5)2,-7.1869682833,-1.7457385826,0.147286612,0.147286612,GGA+U,P2_1/c,A3B10C2_mP30_14_ae_5e_e:Co-O-P,30.0,A3B10C2_mP30_14_ae_5e_e:Co-O-P +mp-818408,Co3P2O9,-6.8072931537,-1.3307390966,0.6875913196,0.6875913196,GGA+U,P2_1/c,A3B9C2_mP56_14_3e_9e_2e:Co-O-P,56.0,A3B9C2_mP56_14_3e_9e_2e:Co-O-P +mp-1182851,Co3P2O9,-7.3334447859,-1.8568907288,0.1614396875,0.1614396875,GGA+U,P2_1/c,A3B9C2_mP56_14_3e_9e_2e:Co-O-P,56.0,A3B9C2_mP56_14_3e_9e_2e:Co-O-P +mp-1202222,Co3P2O9,-7.4010747068,-1.9245206497,0.0938097666,0.0938097666,GGA+U,P2_1/c,A3B9C2_mP56_14_3e_9e_2e:Co-O-P,56.0,A3B9C2_mP56_14_3e_9e_2e:Co-O-P +mp-1213861,Co(PO5)2,-6.3783889908,-1.1936343815,0.4503909471,0.4503909471,GGA+U,P2_1/c,AB10C2_mP26_14_a_5e_e:Co-O-P,26.0,AB10C2_mP26_14_a_5e_e:Co-O-P +mp-26568,Co3(P3O10)2,-7.4392605603,-2.1724142621,0.0385163522,0.0385163522,GGA+U,C222_1,A3B20C6_oC116_20_2ab_10c_3c:Co-O-P,58.0,"Invalid WP multiplicities - A3B20C6_oC116_20_3ab_39c_9c:Co-O-P, expected Co2(P3O13)3 to be Co3(P3O10)2" +mp-17775,Co2Si(P2O7)2,-7.7830521371,-2.5188232988,0.0,-0.0131452626,GGA+U,C2/c,A2B14C4D_mC84_15_f_7f_2f_e:Co-O-P-Si,42.0,"Invalid WP multiplicities - A2B14C4D_mC84_15_f_8f_3f_e:Co-O-P-Si, expected Co2Si(P3O8)2 to be Co2Si(P2O7)2" +mp-29187,Co(SiP)3,-5.9480335289,-0.2874364711,0.0045020966,0.0045020966,GGA,P2_1,AB3C3_mP28_4_2a_6a_6a:Co-P-Si,28.0,AB3C3_mP28_4_2a_6a_6a:Co-P-Si +mp-704226,Co5(P2O7)4,-7.3656878799,-2.0643392715,0.1129149782,0.1129149782,GGA+U,P-1,A5B28C8_aP82_2_5i_28i_8i:Co-O-P,82.0,"Invalid WP multiplicities - A5B28C8_aP82_2_9i_54i_15i:Co-O-P, expected Co3P5O18 to be Co5(P2O7)4" +mp-1178442,Co5(P2O7)4,-7.404313291,-2.1029646826,0.0742895671,0.0742895671,GGA+U,P-1,A5B28C8_aP41_2_a2i_14i_4i:Co-O-P,41.0,"Invalid WP multiplicities - A5B28C8_aP41_2_a4i_27i_7i:Co-O-P, expected Co9(P7O27)2 to be Co5(P2O7)4" +mp-849725,Co3P4O15,-7.270631527,-1.9443363416,0.1703348265,0.1703348265,GGA+U,Pna2_1,A3B15C4_oP88_33_3a_15a_4a:Co-O-P,88.0,"Invalid WP multiplicities - A3B15C4_oP88_33_9a_57a_13a:Co-O-P, expected Co9P13O57 to be Co3P4O15" +mp-1198807,Co2P2O11,-6.5972620148,-1.3001409197,0.3765548421,0.3765548421,GGA+U,Pbca,A2B11C2_oP120_61_2c_11c_2c:Co-O-P,120.0,A2B11C2_oP120_61_2c_11c_2c:Co-O-P +mp-1203728,Co5(PO6)2,-7.275614667,-1.7109589552000002,0.1105019249,0.1105019249,GGA+U,P2_12_12_1,A5B12C2_oP76_19_5a_12a_2a:Co-O-P,76.0,A5B12C2_oP76_19_5a_12a_2a:Co-O-P +mp-540169,Co3(PO4)4,-7.1897365017,-1.8799459456,0.1427829978,0.1427829978,GGA+U,P1,A3B16C4_aP23_1_3a_16a_4a:Co-O-P,23.0,A3B16C4_aP23_1_3a_16a_4a:Co-O-P +mp-585038,Co3(PO4)4,-7.1817979289,-1.8720073728,0.1507215706,0.1507215706,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Co-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_6a_31a_8a:Co-O-P, expected Co6P8O31 to be Co3(PO4)4" +mp-26190,Co3(PO4)4,-7.1770200533,-1.8672294971,0.1554994463,0.1554994463,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Co-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_4a_31a_8a:Co-O-P, expected Co4P8O31 to be Co3(PO4)4" +mp-31554,Co3(PO4)4,-7.2414656739,-1.9316751178,0.0910538256,0.0910538256,GGA+U,P2_1/c,A3B16C4_mP46_14_ae_8e_2e:Co-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_14_ae_31e_6e:Co-O-P, expected Co3(P6O31)2 to be Co3(PO4)4" +mp-26552,Co5(P3O11)2,-7.4937149291,-2.1346677878,0.0341830909,0.0341830909,GGA+U,P2_1/c,A5B22C6_mP66_14_a2e_11e_3e:Co-O-P,66.0,"Invalid WP multiplicities - A5B22C6_mP66_14_2a4e_43e_6e:Co-O-P, expected Co5P6O43 to be Co5(P3O11)2" +mp-1272384,Co2PO5,-7.4969890362,-1.9515663296,0.0086096222,0.0086096222,GGA+U,C2/c,A2B5C_mC32_15_ac_e2f_e:Co-O-P,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_a2c_e8f_e:Co-O-P, expected Co3PO17 to be Co2PO5" +mp-1276873,Co2PO5,-7.455879625,-1.9104569184,0.0497190334,0.0497190334,GGA+U,Imma,A2B5C_oI32_74_ac_ehi_e:Co-O-P,16.0,"Invalid WP multiplicities - A2B5C_oI32_74_ac_e2h3i_e:Co-O-P, expected Co2PO11 to be Co2PO5" +mp-1105140,Co2PO5,-7.4417900494,-1.8963673428,0.0638086091,0.0638086091,GGA+U,I4_1/amd,A2B5C_tI32_141_c_ah_b:Co-O-P,16.0,A2B5C_tI32_141_c_ah_b:Co-O-P +mp-3273,Si5P6O25,-7.9639620528,-2.8730280814,0.0,-0.0098696625,GGA,R-3,A25B6C5_hR108_148_a4f_f_b2c:O-P-Si,36.0,"Invalid WP multiplicities - A25B6C5_hR108_148_a5f_f_b2c:O-P-Si, expected Si5P6O31 to be Si5P6O25" +mp-1020608,SiP2O7,-7.783873637,-2.6959992348,0.08618445,0.0557162264,GGA,P2_1/c,A7B2C_mP20_14_a3e_e_d:O-P-Si,20.0,A7B2C_mP20_14_a3e_e_b:O-P-Si +mp-4769,SiP2O7,-7.870058087,-2.7821836848,0.0,-0.0304682236,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Si,40.0,A7B2C_mP40_14_7e_2e_e:O-P-Si +mp-18157,SiP2O7,-7.8694745367,-2.7816001345,0.0005835502,-0.0298846733,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Si,40.0,A7B2C_mP40_14_7e_2e_e:O-P-Si +mp-554758,SiP2O7,-7.8674681185,-2.7795937163,0.0025899685,-0.0278782551,GGA,P6_3/m,A7B2C_hP20_176_ci_f_b:O-P-Si,20.0,"Invalid WP multiplicities - A7B2C_hP20_176_2c2i_f_b:O-P-Si, expected Si(PO7)2 to be SiP2O7" +mp-18293,SiP2O7,-7.839244466,-2.7513700638,0.030813621,0.0003453974,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Si,40.0,"Invalid WP multiplicities - A7B2C_cP40_205_a2d_c_b:O-P-Si, expected SiP2O13 to be SiP2O7" +mp-1189551,Co3(PO7)2,-6.4737774837,-1.1366616755,0.3578318992,0.3578318992,GGA+U,I4/m,A3B14C2_tI38_87_ae_ehi_d:Co-O-P,,A3B14C2_tI38_87_ae_ehi_d:Co-O-P +mp-759451,CoP4O11,-7.624068881999999,-2.4256249042,0.0064569375,-0.0496078695,GGA+U,P-1,AB11C4_aP64_2_2i_22i_8i:Co-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_3i_43i_15i:Co-O-P, expected Co3P15O43 to be CoP4O11" +mp-759681,CoP4O11,-7.6283046106,-2.4298606328,0.0022212089,-0.0538435981,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Co-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_41e_13e:Co-O-P, expected CoP13O41 to be CoP4O11" +mp-562669,CoP4O11,-7.6305258195,-2.4320818417,0.0,-0.056064807,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Co-O-P,64.0,AB11C4_mP64_14_e_11e_4e:Co-O-P +mp-27024,Co2P5O16,-7.4605592672,-2.2244650279,0.0164814764,0.0164814764,GGA+U,P2/c,A2B16C5_mP46_13_g_8g_e2g:Co-O-P,46.0,"Invalid WP multiplicities - A2B16C5_mP46_13_g_29g_e7g:Co-O-P, expected Co2P15O58 to be Co2P5O16" +mp-1213752,Co(PO2)2,-7.016234375,-1.6274232817,0.4902306551,0.4902306551,GGA+U,P2/c,AB4C2_mP14_13_a_2g_ef:Co-O-P,14.0,AB4C2_mP14_13_a_2g_ef:Co-O-P +mp-1213753,Co(PO2)2,-7.0097647907,-1.6209536974,0.4967002394,0.4967002394,GGA+U,Pmma,AB4C2_oP14_51_a_ik_ef:Co-O-P,14.0,AB4C2_oP14_51_a_ik_ef:Co-O-P +mp-1310203,Co3(PO4)2,-7.6600176115,-2.1427046817,0.0202086827,-0.0375173413,GGA+U,P-1,A3B8C2_aP26_2_bd2i_8i_2i:Co-O-P,26.0,"Invalid WP multiplicities - A3B8C2_aP26_2_bd3i_13i_3i:Co-O-P, expected Co4P3O13 to be Co3(PO4)2" +mp-561817,Co3(PO4)2,-7.6646664758,-2.1473535459,0.0155598185,-0.0421662056,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Co-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_4e_e:Co-O-P, expected Co3PO4 to be Co3(PO4)2" +mp-19264,Co3(PO4)2,-7.6802262942,-2.1629133644,0.0,-0.057726024,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Co-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_12e_e:Co-O-P, expected Co3PO12 to be Co3(PO4)2" +mp-764887,Co3(PO4)2,-7.6020907735,-2.0847778437,0.0781355207,0.0204094967,GGA+U,P2_1/c,A3B8C2_mP156_14_9e_24e_6e:Co-O-P,156.0,"Invalid WP multiplicities - A3B8C2_mP156_14_35e_95e_21e:Co-O-P, expected Co35P21O95 to be Co3(PO4)2" +mp-778880,Co4(P2O7)3,-7.3845101054,-2.0685891649,0.121575189,0.121575189,GGA+U,P2_1/c,A4B21C6_mP124_14_4e_21e_6e:Co-O-P,124.0,"Invalid WP multiplicities - A4B21C6_mP124_14_13e_81e_21e:Co-O-P, expected Co13(P7O27)3 to be Co4(P2O7)3" +mp-756652,CoPO4,-7.3907743967,-2.0060452056,0.0898244967,0.0604049539,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_aP24_2_3i_15i_3i:Co-O-P, expected CoPO5 to be CoPO4" +mp-753839,CoPO4,-7.4124425025,-2.0277133114,0.0681563908,0.038736848,GGA+U,Pc,AB4C_mP24_7_2a_8a_2a:Co-O-P,24.0,AB4C_mP24_7_4a_16a_4a:Co-O-P +mp-540391,CoPO4,-7.4726242463,-2.0878950551,0.0079746471,-0.0214448957,GGA+U,Pc,AB4C_mP24_7_2a_8a_2a:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_7_3a_14a_2a:Co-O-P, expected Co3(PO7)2 to be CoPO4" +mp-849770,CoPO4,-7.4805988933,-2.0958697022,0.0,-0.0294195428,GGA+U,Cc,AB4C_mC24_9_a_4a_a:Co-O-P,12.0,"Invalid WP multiplicities - AB4C_mC24_9_a_8a_a:Co-O-P, expected CoPO8 to be CoPO4" +mp-25954,CoPO4,-7.3539541489,-1.9692249578,0.1266447444,0.0972252016,GGA+U,P31c,AB4C_hP36_159_c_a2b3c_a2b:Co-O-P,36.0,"Invalid WP multiplicities - AB4C_hP36_159_c_2a4b13c_2a4b:Co-O-P, expected CoP2O15 to be CoPO4" +mp-777241,CoPO4,-7.3790237104,-1.9942945193,0.1015751829,0.0721556401,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Co-O-P,48.0,"Invalid WP multiplicities - AB4C_mP48_14_3e_31e_3e:Co-O-P, expected Co3P3O31 to be CoPO4" +mp-704189,CoPO4,-7.473153325,-2.0884241339,0.0074455683,-0.0219739745,GGA+U,P2_1/c,AB4C_mP72_14_3e_12e_3e:Co-O-P,72.0,"Invalid WP multiplicities - AB4C_mP72_14_9e_45e_12e:Co-O-P, expected Co3P4O15 to be CoPO4" +mp-540093,CoPO4,-7.4676583267,-2.0829291356,0.0129405667,-0.0164789761,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Co-O-P, expected CoPO15 to be CoPO4" +mp-771134,CoPO4,-7.4616292385,-2.0769000474,0.0189696548,-0.010449888,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Co-O-P,48.0,"Invalid WP multiplicities - AB4C_mP48_14_5e_29e_5e:Co-O-P, expected Co5P5O29 to be CoPO4" +mp-766076,CoPO4,-7.4769931674,-2.0922639762,0.003605726,-0.0258138168,GGA+U,P2_1/c,AB4C_mP72_14_3e_12e_3e:Co-O-P,72.0,"Invalid WP multiplicities - AB4C_mP72_14_9e_45e_9e:Co-O-P, expected CoPO5 to be CoPO4" +mp-1040936,CoPO4,-7.1960727394,-1.8113435483,0.284526154,0.2551066111,GGA+U,C2/c,AB4C_mC96_15_cef_8f_2f:Co-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Co-O-P, expected Co7(PO5)12 to be CoPO4" +mp-861694,CoPO4,-7.4800344023,-2.0953052112,0.000564491,-0.0288550518,GGA+U,Pca2_1,AB4C_oP48_29_2a_8a_2a:Co-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_29_5a_29a_5a:Co-O-P, expected Co5P5O29 to be CoPO4" +mp-1178446,CoPO4,-7.480561985,-2.0958327939,3.69083e-05,-0.0293826345,GGA+U,Pca2_1,AB4C_oP48_29_2a_8a_2a:Co-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_29_5a_29a_5a:Co-O-P, expected Co5P5O29 to be CoPO4" +mp-766042,CoPO4,-7.4665647979,-2.0818356068,0.0140340954,-0.0153854474,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_13a_a:Co-O-P, expected CoPO13 to be CoPO4" +mp-689940,CoPO4,-7.4749744417,-2.0902452506,0.0056244517,-0.0237950911,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_16a_a:Co-O-P, expected CoPO16 to be CoPO4" +mp-689943,CoPO4,-7.4545267738,-2.0697975826,0.0260721196,-0.0033474232,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_11a_a:Co-O-P, expected CoPO11 to be CoPO4" +mp-776270,CoPO4,-7.3456737379,-1.9609445468,0.1349251554,0.1055056126,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_5c4d_c:Co-O-P, expected CoPO13 to be CoPO4" +mp-504098,CoPO4,-7.3943875279,-2.0096583368,0.0862113654,0.0567918226,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Co-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_7c2d_c:Co-O-P, expected CoPO11 to be CoPO4" +mp-27046,CoPO4,-7.474770015,-2.0900408239,0.0058288783,-0.0235906645,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Co-O-P,24.0,AB4C_oC24_63_a_fg_c:Co-O-P +mp-704240,CoPO4,-7.4630758756,-2.0783466844,0.0175230178,-0.011896525,GGA+U,R3,AB4C_hR108_146_2b_8b_2b:Co-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_146_4b_23b_3b:Co-O-P, expected Co4P3O23 to be CoPO4" +mp-850025,CoPO4,-7.4558913851,-2.071162194,0.0247075082,-0.0047120346,GGA+U,P6_5,AB4C_hP144_170_4a_16a_4a:Co-O-P,144.0,"Invalid WP multiplicities - AB4C_hP144_170_15a_89a_19a:Co-O-P, expected Co15P19O89 to be CoPO4" +mp-705347,Co6P7O24,-7.6347366654,-2.2492352225,0.0059331068,0.0059331068,GGA+U,P2_1/m,A6B24C7_mP74_11_3f_2e11f_e3f:Co-O-P,74.0,"Invalid WP multiplicities - A6B24C7_mP74_11_8f_4e39f_e11f:Co-O-P, expected Co16P23O82 to be Co6P7O24" +mp-1638872,Co3(P2O7)2,-7.5006228733,-2.1562511891,0.054303219,0.054303219,GGA+U,P1,A3B14C4_aP42_1_6a_28a_8a:Co-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP21_1_6a_14a_4a:Co-O-P, expected Co3P2O7 to be Co3(P2O7)2" +mp-721926,Co3(P2O7)2,-7.508385959,-2.1640142748,0.0465401333,0.0465401333,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Co-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP21_2_2a2i_7i_2i:Co-O-P, expected Co3P2O7 to be Co3(P2O7)2" +mp-767437,Co3(P2O7)2,-7.4433660638,-2.0989943796,0.1115600286,0.1115600286,GGA+U,P-1,A3B14C4_aP42_2_bd2i_14i_4i:Co-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_bd4i_27i_7i:Co-O-P, expected Co5P7O27 to be Co3(P2O7)2" +mp-697827,Co3(P2O7)2,-7.3168343179,-1.9724626336,0.2380917745,0.2380917745,GGA+U,P-1,A3B14C4_aP42_2_3i_14i_4i:Co-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_5i_28i_7i:Co-O-P, expected Co5(PO4)7 to be Co3(P2O7)2" +mp-1101566,Co3(P2O7)2,-7.49488182,-2.1505101358,0.0600442724,0.0600442724,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Co-O-P,21.0,"Invalid WP multiplicities - A3B14C4_aP21_2_ai_13i_3i:Co-O-P, expected Co3(P3O13)2 to be Co3(P2O7)2" +mp-584339,Co3(P2O7)2,-7.4477926233,-2.1034209391,0.107133469,0.107133469,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Co-O-P,21.0,"Invalid WP multiplicities - A3B14C4_aP21_2_a2i_14i_2i:Co-O-P, expected Co5(PO7)4 to be Co3(P2O7)2" +mp-27010,Co3(P2O7)2,-7.52997719,-2.1856055058,0.0249489024,0.0249489024,GGA+U,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Co-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_2a2e_27e_3e:Co-O-P, expected CoPO9 to be Co3(P2O7)2" +mp-26460,Co(PO3)3,-7.4784099746,-2.2577619964,0.0629641827,0.0602338279,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Co-O-P,26.0,"Invalid WP multiplicities - AB9C3_aP26_2_i_18i_4i:Co-O-P, expected Co(P2O9)2 to be Co(PO3)3" +mp-1101586,Co(PO3)3,-7.4932237206,-2.2725757424,0.0481504367,0.0454200819,GGA+U,P-1,AB9C3_aP52_2_2i_18i_6i:Co-O-P,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_4i_35i_12i:Co-O-P, expected Co4P12O35 to be Co(PO3)3" +mp-26992,Co(PO3)3,-7.5059409025,-2.2852929243,0.0354332548,0.0327029,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Co-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_35a_7a:Co-O-P, expected Co(PO5)7 to be Co(PO3)3" +mp-759214,Co(PO3)3,-7.5061830354,-2.2855350572,0.0351911219,0.0324607671,GGA+U,Pccn,AB9C3_oP52_56_a_c4e_de:Co-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_56_a_2c15e_3d2e:Co-O-P, expected CoP7O32 to be Co(PO3)3" +mp-584429,Co(PO3)3,-7.5413741573,-2.3207261791,0.0,-0.0027303548,GGA+U,Pbcm,AB9C3_oP52_57_a_d4e_ce:Co-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_57_a_d8e_2ce:Co-O-P, expected CoP4O17 to be Co(PO3)3" +mp-31572,Co(PO3)4,-7.3811563906,-2.1975215461,0.0914966579,0.0914966579,GGA+U,P2_1,AB12C4_mP34_4_a_12a_4a:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mP34_4_a_24a_8a:Co-O-P, expected Co(PO3)8 to be Co(PO3)4" +mp-26724,Co(PO3)4,-7.4042885753,-2.2206537308,0.0683644732,0.0683644732,GGA+U,C2/m,AB12C4_mC68_12_e_gi5j_2j:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_e_2h2i18j_7j:Co-O-P, expected Co(P7O20)2 to be Co(PO3)4" +mp-584727,Co(PO3)4,-7.3885040585,-2.204869214,0.0841489899,0.0841489899,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_a_22f_8f:Co-O-P, expected Co(P4O11)4 to be Co(PO3)4" +mp-26432,Co(PO3)4,-7.4041270638,-2.2204922193,0.0685259846,0.0685259846,GGA+U,C2/c,AB12C4_mC68_15_e_2e5f_2f:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_4e16f_5f:Co-O-P, expected Co(P5O18)2 to be Co(PO3)4" +mp-504346,Co(PO3)4,-7.3623854591,-2.1787506146,0.1102675893,0.1102675893,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_21f_3f:Co-O-P, expected Co(PO7)6 to be Co(PO3)4" +mp-1045799,Co(PO3)4,-7.40591644,-2.2222815955,0.0667366085,0.0667366085,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Co-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_19f_4f:Co-O-P, expected Co(P4O19)2 to be Co(PO3)4" +mp-26998,Co(PO3)4,-7.4005065466,-2.2168717021,0.0721465018,0.0721465018,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Co-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_41d_7d:Co-O-P, expected Co(P7O41)2 to be Co(PO3)4" +mp-540204,Co2P3O10,-7.584656972,-2.2564282905,0.0,-0.0022868234,GGA+U,P-1,A2B10C3_aP30_2_2i_10i_3i:Co-O-P,30.0,"Invalid WP multiplicities - A2B10C3_aP30_2_3i_19i_5i:Co-O-P, expected Co3P5O19 to be Co2P3O10" +mp-25270,Co2P3O10,-7.5651512473,-2.2369225658,0.0195057247,0.0172189013,GGA+U,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Co-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_8e10f_5e:Co-O-P, expected Co2P5O28 to be Co2P3O10" +mp-504231,Co2P3O10,-7.5781443017,-2.2499156202,0.0065126703,0.0042258469,GGA+U,C2/c,A2B10C3_mC60_15_f_5f_ef:Co-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mC60_15_f_18f_2e3f:Co-O-P, expected Co(P2O9)2 to be Co2P3O10" +mp-17586,CdS2O7,-6.1586111725,-1.7763501252,0.0,-0.0460225768,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cd-O-S,40.0,AB7C2_mP40_14_e_7e_2e:Cd-O-S +mp-1192703,CdSO5,-5.5250610986,-1.2689492153,0.3009996573,0.3009996573,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Cd-O-S,28.0,AB5C_mP28_14_e_5e_e:Cd-O-S +mp-1199693,Al4SO18,-5.5540700646,-0.8514983259000001,1.0052004691,1.0052004691,GGA,P2_1,A4B18C_mP92_4_8a_36a_2a:Al-O-S,92.0,A4B18C_mP92_4_8a_36a_2a:Al-O-S +mp-1227692,Cd2SO6,-5.2856517853,-1.323167157,0.2013147904,0.2013147904,GGA,Pc,A2B6C_mP36_7_4a_12a_2a:Cd-O-S,36.0,"Invalid WP multiplicities - A2B6C_mP36_7_6a_16a_2a:Cd-O-S, expected Cd3SO8 to be Cd2SO6" +mp-1196645,Cd2SO6,-5.2977167747,-1.3352321465,0.189249801,0.189249801,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Cd-O-S,36.0,A2B6C_mP36_14_2e_6e_e:Cd-O-S +mp-1105963,Cd2SO6,-5.2918469772,-1.329362349,0.1951195985,0.1951195985,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Cd-O-S,18.0,A2B6C_mC36_15_f_3f_e:Cd-O-S +mp-8516,CdSO3,-5.620434524,-1.6405533719,0.0962769297,0.0962769297,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cd-O-S,20.0,AB3C_mP20_14_e_3e_e:Cd-O-S +mp-556680,CdSO3,-5.620480781,-1.6405996289,0.0962306727,0.0962306727,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cd-O-S,40.0,"Invalid WP multiplicities - AB3C_mP40_14_6e_21e_2e:Cd-O-S, expected Cd6S2O21 to be CdSO3" +mp-18634,CdSO3,-5.6176498147,-1.6377686625,0.0990616391,0.0990616391,GGA,R-3,AB3C_hR90_148_f_3f_f:Cd-O-S,30.0,AB3C_hR90_148_f_3f_f:Cd-O-S +mp-1204640,Cd8S2O23,-4.5659533312,-0.6438364169,0.5186925749,0.5186925749,GGA,P6_3,A8B23C2_hP66_173_2b2c_ab7c_ab:Cd-O-S,66.0,A8B23C2_hP66_173_2b2c_ab7c_ab:Cd-O-S +mp-1102988,CdSO4,-5.3904550867,-1.2494393414,0.5821676767,0.4584103813,GGA,C2/m,AB4C_mC24_12_ac_2ij_i:Cd-O-S,12.0,"Invalid WP multiplicities - AB4C_mC24_12_ad_3i2j_i:Cd-O-S, expected CdSO7 to be CdSO4" +mp-5679,CdSO4,-5.9620347225,-1.8210189772,0.0105880408,-0.1131692546,GGA,Pmn2_1,AB4C_oP12_31_a_2ab_a:Cd-O-S,12.0,AB4C_oP12_31_a_2ab_a:Cd-O-S +mp-8459,CdSO4,-5.9726227633,-1.831607018,0.0,-0.1237572954,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Cd-O-S,12.0,AB4C_oC24_63_a_fg_c:Cd-O-S +mp-1103054,CdSO4,-5.787441025,-1.6464252797,0.1851817383,0.0614244429,GGA,P3m1,AB4C_hP12_156_ac_ab2d_ab:Cd-O-S,12.0,AB4C_hP12_156_ac_ab2d_ab:Cd-O-S +mp-9203,Al6Cd4SO12,-6.6178099239,-2.7194739056,0.0,-0.0399159572,GGA,I-43m,A6B4C12D_cI46_217_d_c_g_a:Al-Cd-O-S,23.0,A6B4C12D_cI46_217_d_c_g_a:Al-Cd-O-S +mp-4417,Al2(SO4)3,-6.9984204229,-2.336022435,0.0,-0.2098404013,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Al-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_2c_5f_f:Al-O-S, expected Al2(SO5)3 to be Al2(SO4)3" +mp-2713752,Al2(SO4)3,-6.9920983827,-2.3297003948,0.0063220402,-0.2035183611,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Al-O-S,102.0,A2B12C3_hR102_167_c_2f_e:Al-O-S +mp-1205273,Cd2S2O9,-4.768139321,-0.5651487321,1.1255654384,1.1255654384,GGA,P2_1/c,A2B9C2_mP104_14_4e_18e_4e:Cd-O-S,104.0,A2B9C2_mP104_14_4e_18e_4e:Cd-O-S +mp-1204923,Al(SO6)2,-5.644984245,-0.8864015718,0.6477989206,0.6477989206,GGA,Pnma,AB12C2_oP60_62_a_2c5d_d:Al-O-S,60.0,AB12C2_oP60_62_a_2c5d_d:Al-O-S +mp-1182631,Cd3S3O20,-5.3974651342,-1.0085500148,0.2594856131,0.2594856131,GGA,P1,A3B20C3_aP52_1_6a_40a_6a:Cd-O-S,52.0,A3B20C3_aP52_1_6a_40a_6a:Cd-O-S +mp-734466,Cd3S3O20,-5.3710163363,-0.9821012169,0.285934411,0.285934411,GGA,P1,A3B20C3_aP52_1_6a_40a_6a:Cd-O-S,52.0,A3B20C3_aP52_1_6a_40a_6a:Cd-O-S +mp-1198328,Cd3S3O20,-5.241874586,-0.8529594665,0.4150761613,0.4150761613,GGA,C2/c,A3B20C3_mC104_15_ef_10f_ef:Cd-O-S,52.0,A3B20C3_mC104_15_ef_10f_ef:Cd-O-S +mp-1182973,AlSO10,-5.6890356106,-0.9099595432,0.4387172607,0.4387172607,GGA,P2_1/c,AB10C_mP48_14_e_10e_e:Al-O-S,48.0,AB10C_mP48_14_e_10e_e:Al-O-S +mp-1183023,AlSO10,-5.7813121696,-1.0022361021,0.3464407018,0.3464407018,GGA,P2_1/c,AB10C_mP48_14_e_10e_e:Al-O-S,48.0,AB10C_mP48_14_e_10e_e:Al-O-S +mp-1217845,TaWO7,-8.5231044389,-1.9183567901,0.3533034217,0.3533034217,GGA+U,Imma,A7BC_oI36_74_3ej_a_c:O-Ta-W,18.0,"Invalid WP multiplicities - A7BC_oI36_74_5e2j_a_c:O-Ta-W, expected TaWO13 to be TaWO7" +mp-1220910,NaTaWO7,-8.27925879,-2.2027333768,0.20870493,0.20870493,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Na-O-Ta-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e4j_c_b:Na-O-Ta-W, expected NaTaWO21 to be NaTaWO7" +mp-1221000,NaTaWO6,-8.8779337361,-2.6758709116,0.0035049849,0.0035049849,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_b:Na-O-Ta-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e4j_c_b:Na-O-Ta-W, expected NaTaWO20 to be NaTaWO6" +mp-1042300,Ta(WO4)2,-9.3774787582,-2.3458835055,0.1891022802,0.1891022802,GGA+U,P1,A8BC2_aP11_1_8a_a_2a:O-Ta-W,11.0,A8BC2_aP11_1_8a_a_2a:O-Ta-W +mp-1041809,Ta(WO4)2,-9.4217243809,-2.3901291282,0.1448566574,0.1448566574,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Ta-W,22.0,A8BC2_mP22_13_4g_e_g:O-Ta-W +mp-760181,Ta22W4O67,-10.0311697297,-3.105021639,0.0345273332,0.0345273332,GGA+U,P1,A67B22C4_aP93_1_67a_22a_4a:O-Ta-W,,A67B22C4_aP93_1_67a_22a_4a:O-Ta-W +mp-677178,Ta2W2O11,-9.596414959,-2.6600555227,0.0659367315,0.0659367315,GGA+U,C2,A11B2C2_mC60_5_11c_2c_abc:O-Ta-W,30.0,"Invalid WP multiplicities - A11B2C2_mC60_5_22c_4c_abc:O-Ta-W, expected Ta2WO11 to be Ta2W2O11" +mp-772657,Ta2WO8,-9.8501053273,-2.9185421291,0.0016964624,0.0016964624,GGA+U,Pc,A8B2C_mP88_7_32a_8a_4a:O-Ta-W,88.0,"Invalid WP multiplicities - A8B2C_mP88_7_48a_10a_4a:O-Ta-W, expected Ta5(WO12)2 to be Ta2WO8" +mp-1046357,Ta2WO8,-9.5691431073,-2.6375799091000003,0.2826586824,0.2826586824,GGA+U,C2/c,A8B2C_mC44_15_4f_f_e:O-Ta-W,22.0,"Invalid WP multiplicities - A8B2C_mC44_15_5f_f_e:O-Ta-W, expected Ta2WO10 to be Ta2WO8" +mp-1112062,K2ScAuI6,-3.310500443,-1.2437657331,0.1028948887,0.1028948887,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Sc +mp-29519,KAuI4,-2.5521645308,-0.8392068063,0.0,-0.0713766083,GGA,P2_1/c,AB4C_mP24_14_ab_4e_e:Au-I-K,24.0,AB4C_mP24_14_ad_4e_e:Au-I-K +mp-1211892,K3Au3I8,-2.7165990879,-0.9351866849,0.009331228,0.009331228,GGA,C2/c,A3B8C3_mC56_15_af_4f_ef:Au-I-K,28.0,A3B8C3_mC56_15_cf_4f_ef:Au-I-K +mp-1111693,K3ScI6,-3.423002173,-1.5726157684,0.0554351375,0.0554351375,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Sc,10.0,A6B3C_cF40_225_e_ac_b:I-K-Sc +mp-31045,KAuI3,-2.6822722370000003,-0.9213962376,0.0,-0.0150035162,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Au-I-K,20.0,AB3C_mP20_14_ab_3e_e:Au-I-K +mp-1205928,K3RuF6,-4.982027712,-2.5745803934,0.014117507,0.0070106734,GGA,C2/m,A6B3C_mC20_12_ij_ce_a:F-K-Ru,10.0,A6B3C_mC20_12_ij_ae_c:F-K-Ru +mp-1111078,K3RuF6,-4.996145219,-2.5886979004,0.0,-0.0071068336,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Ru,10.0,A6B3C_cF40_225_e_ac_b:F-K-Ru +mp-1112257,K2RuAuF6,-4.663189853,-2.0393942291,0.231912401,0.231912401,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ru +mp-1212374,K3RuF12,-4.1272566394,-1.9057974524,0.1246627612,0.1246627612,GGA,C2/m,A12B3C_mC32_12_3j_ce_a:F-K-Ru,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_d:F-K-Ru, expected K3RuF40 to be K3RuF12" +mp-8013,KRuF6,-5.1741036112,-2.4423941997,0.0,-0.193147042,GGA,R-3m,A6BC_hR24_166_h_a_b:F-K-Ru,8.0,A6BC_hR24_166_h_a_b:F-K-Ru +mp-581775,Cs5(KPb6)3,-3.0444270175,-0.1738171728,0.0061930475,0.0061930475,GGA,P1,A5B3C18_aP52_1_10a_6a_36a:Cs-K-Pb,52.0,A5B3C18_aP52_1_10a_6a_36a:Cs-K-Pb +mp-989585,Cs2KPbF6,-4.588456603,-2.7801841464,0.0,-0.0781210293,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pb +mp-1211343,KNdF4,-6.2368051929,-3.9827281513,0.0,-0.0061413133,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-K-Nd,24.0,A4BC_oP24_62_4c_c_c:F-K-Nd +mp-1110853,K3NdF6,-5.414438073,-3.4576162652,0.107445656,0.107445656,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Nd,10.0,A6B3C_cF40_225_e_ac_b:F-K-Nd +mp-1110673,K2RbNdF6,-5.364937719,-3.4211023986,0.131683113,0.131683113,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Nd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Nd-Rb +mp-1211860,K2NdF5,-5.7906397913,-3.7223472708,0.0,-0.0013210266,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Nd,32.0,A5B2C_oP32_62_3cd_d_c:F-K-Nd +mp-559611,Yb4Ge3(O3F2)3,-6.2937512689,-2.8384517738,0.1844247034,0.1844247034,GGA,Cmcm,A6B3C9D4_oC88_63_2ch_ag_c2gh_2g:F-Ge-O-Yb,,"Invalid WP multiplicities - A6B3C9D4_oC88_63_3c3h_2a3g_2c6g4h_5g:F-Ge-O-Yb, expected Yb10Ge8(O2F)15 to be Yb4Ge3(O3F2)3" +mp-7028,YbOF,-6.26671747,-3.4674588171,0.0,-0.0236855106,GGA,C2/m,ABC_mC12_12_g_h_i:F-O-Yb,,ABC_mC12_12_g_h_i:F-O-Yb +mp-1216332,Yb3(OF5)2,-4.732870752,-2.4910712895,0.388541856,0.388541856,GGA,I4_1/amd,A10B2C3_tI120_141_f2hi_ce_eg:F-O-Yb,,"Invalid WP multiplicities - A10B2C3_tI120_141_2f2h2i_ce_2e2g:F-O-Yb, expected Yb3OF8 to be Yb3(OF5)2" +mp-1207844,Y3TlF10,-7.0264020032,-4.1066272774,0.0,-0.0302478504,GGA,P6_3mc,A10BC3_hP56_186_2b4cd_ab_2c:F-Tl-Y,56.0,A10BC3_hP56_186_2b4cd_ab_2c:F-Tl-Y +mp-7617,Rb3YF6,-5.575194743,-3.4875000294,0.03656017,0.0084128937,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-Y,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-Y +mp-1113917,Rb3YF6,-5.611754913,-3.5240601994,0.0,-0.0281472763,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Y,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Y +mp-1113925,Rb2YTlF6,-5.553364308,-3.327458687,0.0103782965,0.0103782965,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Tl-Y +mp-686016,KSn2F5,-5.0512924296,-2.7154252428,0.0,-0.0047033201,GGA,P1,A5BC2_aP48_1_30a_6a_12a:F-K-Sn,48.0,A5BC2_aP48_1_30a_6a_12a:F-K-Sn +mp-1223341,KSn2F5,-4.9290413662,-2.5931741794,0.1222510633,0.1175477433,GGA,Cm,A5BC2_mC16_8_3ab_a_2a:F-K-Sn,8.0,A5BC2_mC16_8_3ab_a_2a:F-K-Sn +mp-686121,KSn2F5,-4.9967054821,-2.6608382953,0.0545869475,0.0498836274,GGA,P3,A5BC2_hP144_143_10a3b5c24d_6a6b6c_12d:F-K-Sn,144.0,"Invalid WP multiplicities - A5BC2_hP144_143_10a3b5c72d_6a6b6c_36d:F-K-Sn, expected KSn6F13 to be KSn2F5" +mp-686295,KSn2F5,-5.0028180644,-2.6669508776,0.0484743652,0.0437710452,GGA,P3,A5BC2_hP144_143_10a2b6c24d_6a6b6c_12d:F-K-Sn,144.0,"Invalid WP multiplicities - A5BC2_hP144_143_10a2b6c72d_6a6b6c_36d:F-K-Sn, expected KSn6F13 to be KSn2F5" +mp-1205971,K2SnF6,-4.9911615967,-3.0245789796,0.0,-0.2144395556,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Sn,9.0,A6B2C_hP9_164_i_d_a:F-K-Sn +mp-1205960,K2SnF6,-4.9605593067,-2.9939766896,0.03060229,-0.1838372656,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-K-Sn,9.0,A6B2C_cF36_225_e_c_a:F-K-Sn +mp-557665,K3Sn5Cl3F10,-4.7877393321,-2.5001462002,0.0,-0.0117149712,GGA,Cmcm,A3B10C3D5_oC84_63_cf_2c4f_af_c2f:Cl-F-K-Sn,42.0,"Invalid WP multiplicities - A3B10C3D5_oC84_63_c2f_4c14f_2af_c6f:Cl-F-K-Sn, expected K4Sn13Cl5F32 to be K3Sn5Cl3F10" +mp-29252,Sn2ClF3,-4.8808240396,-2.2804711608,0.0068799238,0.0068799238,GGA,P2_13,AB3C2_cP24_198_a_b_2a:Cl-F-Sn,24.0,AB3C2_cP24_198_a_b_2a:Cl-F-Sn +mp-27373,SnClF,-4.5949061475,-2.0050436533,0.0,-0.0173091897,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-F-Sn,12.0,ABC_oP12_62_c_c_c:Cl-F-Sn +mp-989192,SnClF,-4.5546364267,-1.9647739325,0.0402697208,0.0229605311,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Sn,6.0,ABC_tP6_129_c_a_c:Cl-F-Sn +mp-28774,KSnF3,-4.9662415078,-2.7953599668,0.0,-0.0358356681,GGA,P-1,A3BC_aP40_2_12i_4i_4i:F-K-Sn,40.0,A3BC_aP40_2_12i_4i_4i:F-K-Sn +mp-1220760,NaYIrO4,-7.5168075181,-2.3147810278,0.0437234385,0.0437234385,GGA,Amm2,ABC4D_oC42_38_be_bd_2a2d3e_ad:Ir-Na-O-Y,21.0,"Invalid WP multiplicities - ABC4D_oC42_38_be_bd_2a2d6e_ad:Ir-Na-O-Y, expected NaYIrO6 to be NaYIrO4" +mp-30980,NaYO2,-7.5524243231,-3.1318308658,0.0,-0.109918792,GGA,C2/c,AB2C_mC32_15_2e_2f_2e:Na-O-Y,16.0,"Invalid WP multiplicities - AB2C_mC32_15_4e_2f_2e:Na-O-Y, expected Na2YO2 to be NaYO2" +mp-1191749,Y2Ir2O7,-8.4386393632,-2.5080364936,0.0,-0.0145034488,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ir-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Ir-O-Y +mp-1210185,Na4Y2(IrO4)3,-7.0585564481,-2.1014797588,0.0,-0.0101075186,GGA,P-62m,A3B4C12D2_hP21_189_f_ag_2gj_d:Ir-Na-O-Y,21.0,A3B4C12D2_hP21_189_f_ag_2gj_d:Ir-Na-O-Y +mp-676249,SrU2O6,-9.6654788278,-3.6707626344,0.0560528284,0.0560528284,GGA,Immm,A6BC2_oI18_71_fn_a_g:O-Sr-U,9.0,"Invalid WP multiplicities - A6BC2_oI18_71_2f2n_a_g:O-Sr-U, expected SrU2O12 to be SrU2O6" +mp-676411,Sr9U9O34,-9.1926303015,-3.7115620832,0.0,-0.0030355789,GGA,P1,A34B9C9_aP52_1_34a_9a_9a:O-Sr-U,52.0,A34B9C9_aP52_1_34a_9a_9a:O-Sr-U +mp-1205846,Sr2HoUO6,-8.484649049,-3.5913552436,0.0968061987,0.0968061987,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ho-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Ho-O-Sr-U +mp-1218482,Sr2U2O7,-9.1696412582,-3.6615841759,0.038764591,0.038764591,GGA,Pm,A7B2C2_mP11_6_3a4b_ab_ab:O-Sr-U,11.0,A7B2C2_mP11_6_3a4b_ab_ab:O-Sr-U +mp-1187232,Sr3U,-3.31746172,0.7725108725000001,0.7725108725000001,0.7725108725000001,GGA,Pm-3m,A3B_cP4_221_c_a:Sr-U,4.0,A3B_cP4_221_c_a:Sr-U +mp-1187262,Sr3U,-3.30105295,0.7889196425,0.7889196425,0.7889196425,GGA,Fm-3m,A3B_cF16_225_ac_b:Sr-U,4.0,A3B_cF16_225_ac_b:Sr-U +mp-29743,Sr5U3O14,-8.7024811007,-3.6308747709,4.93145e-05,4.93145e-05,GGA,Pbca,A14B5C3_oP88_61_7c_a2c_bc:O-Sr-U,88.0,A14B5C3_oP88_61_7c_a2c_bc:O-Sr-U +mp-1188375,Sr3UO6,-8.1380863645,-3.5340841008,0.0014722115,-0.0256655465,GGA,P2_1,A6B3C_mP20_4_6a_3a_a:O-Sr-U,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_6e_ae_b:O-Sr-U, expected Sr3UO12 to be Sr3UO6" +mp-3956,Sr3UO6,-8.139558576,-3.5355563123,0.0,-0.027137758,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:O-Sr-U,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_6e_ae_b:O-Sr-U, expected Sr3UO12 to be Sr3UO6" +mp-634900,SrUO4,-8.8515883733,-3.3903119886,0.2801658058,0.2529718883,GGA,C2/m,A4BC_mC12_12_2i_a_c:O-Sr-U,6.0,A4BC_mC12_12_2i_a_c:O-Sr-U +mp-697836,SrUO4,-8.804807785,-3.3435314003,0.3269463942,0.2997524766,GGA,C2/m,A4BC_mC12_12_2i_a_d:O-Sr-U,6.0,A4BC_mC12_12_2i_a_d:O-Sr-U +mp-3311,SrUO4,-9.1317541792,-3.6704777944,0.0,-0.0271939176,GGA,Pbcm,A4BC_oP24_57_cde_d_a:O-Sr-U,24.0,A4BC_oP24_57_cde_d_a:O-Sr-U +mp-36329,SrUO4,-9.1311872867,-3.6699109019,0.0005668925,-0.0266270251,GGA,R-3m,A4BC_hR18_166_2c_a_b:O-Sr-U,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:O-Sr-U, expected SrUO6 to be SrUO4" +mp-1179373,SrUO4,-9.0387946617,-3.5775182769,0.0929595175,0.0657655999,GGA,R-3m,A4BC_hR18_166_2c_a_b:O-Sr-U,6.0,A4BC_hR18_166_2c_a_b:O-Sr-U +mp-18471,Sr2UO5,-8.5415715038,-3.6160914446,0.0,-0.015003692,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_ab:O-Sr-U,32.0,A5B2C_mP32_14_5e_2e_ad:O-Sr-U +mp-530539,Sr4U2O9,-8.4956032578,-3.5715371089,0.0012011278,-0.0419610842,GGA,P-1,A9B4C2_aP60_2_18i_ab7i_df3i:O-Sr-U,60.0,"Invalid WP multiplicities - A9B4C2_aP60_2_34i_ab13i_df6i:O-Sr-U, expected Sr14U7O34 to be Sr4U2O9" +mp-1218792,Sr4U2O9,-8.4968043857,-3.5727382367,0.0,-0.043162212,GGA,P2_1/c,A9B4C2_mP60_14_9e_4e_abe:O-Sr-U,60.0,"Invalid WP multiplicities - A9B4C2_mP60_14_33e_11e_2abe:O-Sr-U, expected Sr22U5O66 to be Sr4U2O9" +mp-760440,Sr2U4O11,-9.6860729759,-3.629708107,0.0886207783,0.0886207783,GGA,Cm,A11B2C4_mC34_8_11a_2a_4a:O-Sr-U,17.0,A11B2C4_mC34_8_11a_2a_4a:O-Sr-U +mp-757372,Sr5U5O19,-9.1850676738,-3.7060468865,0.0012650978,0.0012650978,GGA,P1,A19B5C5_aP29_1_19a_5a_5a:O-Sr-U,29.0,A19B5C5_aP29_1_19a_5a_5a:O-Sr-U +mp-766077,Sr5U5O19,-9.1539818255,-3.6749610383,0.0323509461,0.0323509461,GGA,Cm,A19B5C5_mC58_8_19a_5a_5a:O-Sr-U,29.0,A19B5C5_mC58_8_19a_5a_5a:O-Sr-U +mp-1060143,SrU,-4.994650185,1.4958015467,1.4958015467,1.4958015467,GGA,R3m,AB_hR6_160_a_a:Sr-U,2.0,AB_hR6_160_a_a:Sr-U +mp-1218901,Sr3U6O28,-8.1522602565,-2.4407947339,0.5325552221000001,0.5325552221000001,GGA,P1,A28B3C6_aP37_1_28a_3a_6a:O-Sr-U,37.0,A28B3C6_aP37_1_28a_3a_6a:O-Sr-U +mp-21020,Sr2UO4,-8.18854559,-3.2660953383,0.1479919494,0.1479919494,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Sr-U,7.0,A4B2C_tI14_139_ce_e_a:O-Sr-U +mp-667349,Sr3U11O36,-9.8122195848,-3.6651239033,0.0,-0.0313464355,GGA,Pmmn,A36B3C11_oP100_59_ab10ef3g_ae_b5e:O-Sr-U,100.0,"Invalid WP multiplicities - A36B3C11_oP100_59_2a2b36e4f21g_ae_2b19e:O-Sr-U, expected Sr3U40O168 to be Sr3U11O36" +mp-675076,Sr5U5O18,-9.2271045557,-3.7290719086,0.0,-0.0452387815,GGA,P-1,A18B5C5_aP28_2_9i_a2i_c2i:O-Sr-U,28.0,"Invalid WP multiplicities - A18B5C5_aP28_2_17i_a3i_c3i:O-Sr-U, expected Sr7U7O34 to be Sr5U5O18" +mp-625211,LiH3O2,-5.1998564475,-1.5364433768,0.0007403542,-0.0053412254,GGA,P-1,A3BC2_aP12_2_3i_i_2i:H-Li-O,12.0,"Invalid WP multiplicities - A3BC2_aP12_2_4i_i_2i:H-Li-O, expected Li(H2O)2 to be LiH3O2" +mp-27281,LiH3O2,-5.2005968017,-1.537183731,0.0,-0.0060815796,GGA,C2/m,A3BC2_mC24_12_ij_g_hi:H-Li-O,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_i2j_g_hi:H-Li-O, expected LiH5O2 to be LiH3O2" +mp-632417,LiHO2,-4.7141928062,-0.9154362227,0.4348323246,0.4348323246,GGA,C2/m,ABC2_mC16_12_i_g_hi:H-Li-O,8.0,ABC2_mC16_12_i_g_hi:H-Li-O +mp-625998,LiHO,-5.1920761933,-1.7759636524,0.00418663,-0.0638338278,GGA,Aem2,ABC_oC12_39_c_a_c:H-Li-O,6.0,ABC_oC12_39_c_a_c:H-Li-O +mp-23856,LiHO,-5.1962628233,-1.7801502824000002,0.0,-0.0680204578,GGA,P4/nmm,ABC_tP6_129_c_a_c:H-Li-O,6.0,ABC_tP6_129_c_a_c:H-Li-O +mp-1235405,LiSm4(HO2)4,-6.9774356847,-2.6287485508,0.2009531415,0.2009531415,GGA,Pm,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:H-Li-O-Sm,17.0,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:H-Li-O-Sm +mp-1101397,SmHO2,-7.4325347387,-2.9313623381,0.0,-0.0238819557,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:H-O-Sm,8.0,"Invalid WP multiplicities - AB2C_mP8_11_e_3e_e:H-O-Sm, expected SmHO3 to be SmHO2" +mp-1101390,SmHO2,-7.3958506369,-2.8946782362,0.0366841019,0.0128021461,GGA,Pnma,AB2C_oP16_62_c_2c_c:H-O-Sm,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:H-O-Sm, expected SmHO5 to be SmHO2" +mp-1211300,Li(HO)2,-4.64942221,-0.9318717342,0.5305459233,0.5305459233,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:H-Li-O,5.0,A2BC2_tP5_123_g_a_g:H-Li-O +mp-625409,Sm(HO)3,-6.47223921,-2.2241205809,0.0010487579,0.0003953354,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Sm,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Sm, expected Sm(HO)6 to be Sm(HO)3" +mp-625402,Sm(HO)3,-6.4732879679,-2.2251693387,0.0,-0.0006534225,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Sm,14.0,A3B3C_hP14_176_h_h_c:H-O-Sm +mp-1199680,Na2VFeF7,-6.018327422,-2.9656610003,0.0295474525,0.0295474525,GGA+U,C2/c,A7BC2D_mC176_15_14f_2f_abce2f_def:F-Fe-Na-V,88.0,A7BC2D_mC176_15_14f_2f_abce2f_def:F-Fe-Na-V +mp-1203144,Cs3LaN18,-7.5772214886,-0.4099886309,0.0,-0.0454407143,GGA,P-1,A3BC18_aP44_2_3i_i_ae17i:Cs-La-N,44.0,A3BC18_aP44_2_3i_i_ae17i:Cs-La-N +mp-3288,CsNO2,-6.0533199325,-1.2720012526,0.0,-0.0003011836,GGA,P3_121,ABC2_hP12_152_a_b_c:Cs-N-O,12.0,ABC2_hP12_152_a_b_c:Cs-N-O +mp-728544,Cs4La(NO3)8,-6.6119381309000005,-1.37058394,0.0,-0.0215720022,GGA,P2_1/c,A4BC8D24_mP74_14_2e_a_4e_12e:Cs-La-N-O,74.0,A4BC8D24_mP74_14_2e_a_4e_12e:Cs-La-N-O +mp-778950,Cs3NO4,-5.1599778167,-1.3087957059,0.0234679629,0.0234679629,GGA,Pbca,A3BC4_oP64_61_3c_c_4c:Cs-N-O,64.0,"Invalid WP multiplicities - A3BC4_oP64_61_9c_c_13c:Cs-N-O, expected Cs9NO13 to be Cs3NO4" +mp-768311,Cs3NO4,-5.1496723931,-1.2984902823,0.0337733865,0.0337733865,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Cs-N-O,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_3c2d_c_5c4d:Cs-N-O, expected Cs7NO13 to be Cs3NO4" +mp-1180935,LaN3O13,-6.1135769197,-0.5693154417,0.5653738252,0.5653738252,GGA,P2_1/m,AB3C13_mP34_11_e_ef_3e5f:La-N-O,34.0,AB3C13_mP34_11_e_ef_3e5f:La-N-O +mp-1197135,LaN3O13,-6.0270410832,-0.4827796052,0.6519096617,0.6519096617,GGA,P2_1/m,AB3C13_mP34_11_e_ef_3e5f:La-N-O,34.0,AB3C13_mP34_11_e_ef_3e5f:La-N-O +mp-1182768,LaN3O13,-6.3677548535,-0.8234933754,0.3111958915,0.3111958915,GGA,Pbca,AB3C13_oP136_61_c_3c_13c:La-N-O,136.0,AB3C13_oP136_61_c_3c_13c:La-N-O +mp-1223037,LaNO6,-6.5369687969,-1.1678895097,0.4431209028,0.4431209028,GGA,P-1,ABC6_aP16_2_i_i_6i:La-N-O,16.0,ABC6_aP16_2_i_i_6i:La-N-O +mp-1212750,La2(N4O9)3,-6.6441843103,-0.7058782490000001,0.4613331687,0.4613331687,GGA,P4_132,A2B12C27_cP164_213_c_2de_d4e:La-N-O,164.0,A2B12C27_cP164_213_c_2de_d4e:La-N-O +mp-1181009,La(NO5)3,-6.0272336211,-0.5458745395,0.4693737519,0.4693737519,GGA,P-1,AB3C15_aP38_2_i_3i_15i:La-N-O,38.0,AB3C15_aP38_2_i_3i_15i:La-N-O +mp-1222947,LaNO4,-7.6408692675,-2.1309931217,0.0170207617,0.0170207617,GGA,Pmmn,ABC4_oP12_59_a_a_abe:La-N-O,12.0,ABC4_oP12_59_a_a_abe:La-N-O +mp-1019897,LaNO4,-7.5579648362,-2.0480886904,0.0999251929,0.0999251929,GGA,Pnma,ABC4_oP24_62_c_c_2cd:La-N-O,24.0,ABC4_oP24_62_c_c_2cd:La-N-O +mp-1202786,Cs2LaN5O17,-6.4840805134,-1.1839607308,0.1549037328,0.1549037328,GGA,C2/c,A2BC5D17_mC100_15_f_e_e2f_e8f:Cs-La-N-O,50.0,A2BC5D17_mC100_15_f_e_e2f_e8f:Cs-La-N-O +mp-22628,CsNO3,-6.229189378,-1.4147966918,0.0033927133,-0.3895944955,GGA,Pmmn,ABC3_oP10_59_b_a_ae:Cs-N-O,10.0,"Invalid WP multiplicities - ABC3_oP10_59_b_a_a2e:Cs-N-O, expected CsNO5 to be CsNO3" +mp-561851,CsNO3,-6.2325820913,-1.4181894052,0.0,-0.3929872088,GGA,P3_1,ABC3_hP45_144_3a_3a_9a:Cs-N-O,45.0,"Invalid WP multiplicities - ABC3_hP45_144_8a_4a_25a:Cs-N-O, expected Cs8N4O25 to be CsNO3" +mp-1196533,CsNO3,-6.210908775,-1.3965160888,0.0216733163,-0.3713138925,GGA,Pa-3,ABC3_cP40_205_ab_c_d:Cs-N-O,40.0,ABC3_cP40_205_ab_c_d:Cs-N-O +mp-1223061,LaNO5,-7.1111638221,-1.6817430241,0.159411733,0.159411733,GGA,P2_1,ABC5_mP14_4_a_a_5a:La-N-O,14.0,ABC5_mP14_4_a_a_5a:La-N-O +mp-1205242,La(NO3)3,-7.2119544476,-1.483824426,0.0,-0.1678798174,GGA,C2/c,AB3C9_mC208_15_cef_6f_18f:La-N-O,104.0,AB3C9_mC208_15_aef_6f_18f:La-N-O +mp-30925,La(NO2)3,-7.362522178,-1.3999597633,0.1449139362,0.1449139362,GGA,R3m,AB3C6_hR30_160_a_b_2b:La-N-O,10.0,"Invalid WP multiplicities - AB3C6_hR30_160_a_b_3b:La-N-O, expected La(NO3)3 to be La(NO2)3" +mp-760679,Cu3OF5,-4.5765186767,-1.5985516146,0.0280499069,0.0280499069,GGA,P1,A3B5C_aP18_1_6a_10a_2a:Cu-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Cu-F-O +mp-760891,Cu3OF5,-4.574890755,-1.5969236929,0.0296778285,0.0296778285,GGA,P1,A3B5C_aP18_1_6a_10a_2a:Cu-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Cu-F-O +mp-755349,Cu3OF5,-4.5732092917,-1.5952422296000002,0.0313592919,0.0313592919,GGA,P-1,A3B5C_aP18_2_ae2i_5i_i:Cu-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ae4i_7i_i:Cu-F-O, expected Cu5OF7 to be Cu3OF5" +mp-997504,Cu3OF5,-4.5924702633,-1.6145032012,0.0120983202,0.0120983202,GGA,P-1,A3B5C_aP18_2_ab2i_5i_i:Cu-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ab3i_9i_i:Cu-F-O, expected Cu4OF9 to be Cu3OF5" +mp-1178469,Cu3OF5,-4.5703521989,-1.5923851368,0.0342163847,0.0342163847,GGA,P-1,A3B5C_aP18_2_ab2i_5i_i:Cu-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ab4i_8i_i:Cu-F-O, expected Cu5OF8 to be Cu3OF5" +mp-755255,Cu3OF5,-4.5758607894,-1.5978937274,0.0287077941,0.0287077941,GGA,P2_1,A3B5C_mP18_4_3a_5a_a:Cu-F-O,18.0,"Invalid WP multiplicities - A3B5C_mP18_4_5a_7a_a:Cu-F-O, expected Cu5OF7 to be Cu3OF5" +mp-754878,Cu3OF5,-4.5772458606,-1.5992787985,0.027322723,0.027322723,GGA,Pc,A3B5C_mP18_7_3a_5a_a:Cu-F-O,18.0,"Invalid WP multiplicities - A3B5C_mP18_7_6a_10a_a:Cu-F-O, expected Cu6OF10 to be Cu3OF5" +mp-29185,Te2O3F2,-5.4309348607,-1.8667011671,0.0,-0.0153081284,GGA,P-1,A2B3C2_aP14_2_2i_3i_2i:F-O-Te,14.0,A2B3C2_aP14_2_2i_3i_2i:F-O-Te +mp-761126,Cu4OF6,-4.5466274195,-1.5636829472,0.0911643286,0.0911643286,GGA,P1,A4B6C_aP22_1_8a_12a_2a:Cu-F-O,22.0,A4B6C_aP22_1_8a_12a_2a:Cu-F-O +mp-753717,Cu4OF6,-4.5637785968,-1.5808341244,0.0740131514,0.0740131514,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:Cu-F-O,22.0,"Invalid WP multiplicities - A4B6C_tP22_137_g_2d3f_a:Cu-F-O, expected Cu4OF16 to be Cu4OF6" +mp-760179,Cu3(OF)2,-4.9947192593,-1.2784399211,0.0376377421,0.0376377421,GGA,P2_1/c,A3B2C2_mP14_14_ae_e_e:Cu-F-O,14.0,A3B2C2_mP14_14_ae_e_e:Cu-F-O +mp-760120,Cu3(OF)2,-4.9832622659,-1.2669829277,0.0490947355,0.0490947355,GGA,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:Cu-F-O,56.0,"Invalid WP multiplicities - A3B2C2_mP56_14_21e_15e_13e:Cu-F-O, expected Cu21O13F15 to be Cu3(OF)2" +mp-760190,Cu2OF2,-4.7910159193,-1.397403922,0.0677323707,0.0677323707,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Cu-F-O,40.0,A2B2C_aP40_1_16a_16a_8a:Cu-F-O +mp-753831,Cu2OF2,-4.778298794,-1.3846867967,0.080449496,0.080449496,GGA,C2/c,A2B2C_mC60_15_3f_3f_ef:Cu-F-O,30.0,"Invalid WP multiplicities - A2B2C_mC60_15_9f_5f_ef:Cu-F-O, expected Cu18O3F10 to be Cu2OF2" +mp-2221678,Cu2OF2,-4.816806597,-1.4231945998,0.041941693,0.041941693,GGA,C2/c,A2B2C_mC20_15_ac_f_e:Cu-F-O,10.0,"Invalid WP multiplicities - A2B2C_aP10_2_abcf_3i_i:Cu-F-O, expected Cu2OF3 to be Cu2OF2" +mp-754084,Cu2OF2,-4.838086836,-1.4444748388,0.020661454,0.020661454,GGA,Fddd,A2B2C_oF40_70_c_e_a:Cu-F-O,10.0,A2B2C_oF40_70_c_e_a:Cu-F-O +mp-759897,Cu2OF2,-4.828338978,-1.4347269808,0.030409312,0.030409312,GGA,I4_1/amd,A2B2C_tI20_141_c_e_a:Cu-F-O,10.0,A2B2C_tI20_141_c_e_a:Cu-F-O +mp-1209223,Te3(OF6)2,-3.9588964626,-1.4729527737,0.7751170230000001,0.7751170230000001,GGA,I4_1/a,A12B2C3_tI136_88_6f_f_cf:F-O-Te,68.0,A12B2C3_tI136_88_6f_f_cf:F-O-Te +mp-540553,Te7(OF5)6,-4.7212005900000005,-2.1856740192,0.0080806552,0.0080806552,GGA,P-1,A30B6C7_aP43_2_15i_3i_a3i:F-O-Te,43.0,A30B6C7_aP43_2_15i_3i_a3i:F-O-Te +mp-560802,Te7(OF5)6,-4.7211264184,-2.1855998475,0.0081548269,0.0081548269,GGA,R-3,A30B6C7_hR129_148_5f_f_af:F-O-Te,43.0,"Invalid WP multiplicities - A30B6C7_hR129_148_23f_f_a2f:F-O-Te, expected Te13(OF23)6 to be Te7(OF5)6" +mp-849387,Cu6OF11,-4.5135942311,-1.7042499326,0.015520709,0.015520709,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-754948,Cu6OF11,-4.5161776367,-1.7068333381,0.0129373034,0.0129373034,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-755878,Cu6OF11,-4.5143341144,-1.7049898159,0.0147808257,0.0147808257,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-779105,Cu6OF11,-4.50978897,-1.7004446715,0.0193259701,0.0193259701,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-760939,Cu6OF11,-4.5199733339,-1.7106290353,0.0091416062,0.0091416062,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-1178375,Cu6OF11,-4.517736715,-1.7083924165000002,0.0113782251,0.0113782251,GGA,P1,A6B11C_aP18_1_6a_11a_a:Cu-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Cu-F-O +mp-1195764,Cu7Te6(O9F)2,-5.5532802852,-1.2982003825,0.0418466952,0.0418466952,GGA,P-1,A7B2C18D6_aP33_2_a3i_i_9i_3i:Cu-F-O-Te,33.0,A7B2C18D6_aP33_2_a3i_i_9i_3i:Cu-F-O-Te +mp-558387,TeOF2,-5.0965128187,-2.1182746839,0.0,-0.000527274,GGA,P2_1,A2BC_mP16_4_4a_2a_2a:F-O-Te,16.0,"Invalid WP multiplicities - A2BC_mP16_4_7a_4a_4a:F-O-Te, expected Te4O4F7 to be TeOF2" +mp-27575,Te5(O2F11)2,-4.7082035779,-2.2064028812,0.001994706,0.001994706,GGA,I4_1/a,A22B4C5_tI124_88_e5f_f_af:F-O-Te,62.0,"Invalid WP multiplicities - A22B4C5_tI124_88_e6f_f_af:F-O-Te, expected Te5(O2F13)2 to be Te5(O2F11)2" +mp-997035,CuO2F,-4.8535863663,-0.8775706013000001,0.0628731795,0.0628731795,GGA,C222_1,ABC2_oC16_20_a_b_c:Cu-F-O,8.0,ABC2_oC16_20_a_b_c:Cu-F-O +mp-997044,CuO2F,-4.8342157125,-0.8581999475000001,0.0822438333,0.0822438333,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Cu-F-O,8.0,ABC2_oP8_31_a_a_2a:Cu-F-O +mp-997107,CuO2F,-4.8017286875,-0.8257129225000001,0.1147308583,0.1147308583,GGA,Imm2,ABC2_oI16_44_c_c_2c:Cu-F-O,8.0,ABC2_oI16_44_c_c_2c:Cu-F-O +mp-785425,Y2Ge2O7,-2.4450342861,2.7191310698,5.7624038959,5.7195793495,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ge-O-Y,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Ge-O-Y, expected Y7Ge7O27 to be Y2Ge2O7" +mp-769346,Y2Ge2O7,-8.179809623,-3.015644267,0.0276285591,-0.0151959873,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:Ge-O-Y,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Ge-O-Y, expected Y7Ge7O27 to be Y2Ge2O7" +mp-769466,Y2Ge2O7,-8.2024731318,-3.0383077759,0.0049650502,-0.0378594962,GGA,C2/m,A2B7C2_mC22_12_i_aij_h:Ge-O-Y,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_a2i2j_h:Ge-O-Y, expected Y2Ge2O13 to be Y2Ge2O7" +mp-13546,Y2Ge2O7,-8.207438182,-3.0432728261,0.0,-0.0428245464,GGA,P4_32_12,A2B7C2_tP44_96_b_a3b_b:Ge-O-Y,44.0,A2B7C2_tP44_96_b_a3b_b:Ge-O-Y +mp-769396,Y2Ge2O7,-8.1943971236,-3.0302317677,0.0130410584,-0.029783488,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ge-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Ge-O-Y, expected YGeO10 to be Y2Ge2O7" +mp-1207832,Y3GeO8,-8.1639613583,-2.8642987846,0.1940659255,0.1940659255,GGA,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:Ge-O-Y,24.0,AB8C3_mP24_11_e_2e3f_ef:Ge-O-Y +mp-768873,Y2GeO5,-8.6200171603,-3.3338404556,0.0125555303,-0.0004393084,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ge-O-Y,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_19e_3e:Ge-O-Y, expected Y3GeO19 to be Y2GeO5" +mp-754236,Y2GeO5,-8.5110664025,-3.2248896978,0.1215062881,0.1085114495,GGA,C2/c,AB5C2_mC32_15_a_e2f_f:Ge-O-Y,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_c_2e4f_f:Ge-O-Y, expected Y2GeO10 to be Y2GeO5" +mp-561441,Y2GeO5,-8.6325726906,-3.3463959859,0.0,-0.0129948387,GGA,C2/c,AB5C2_mC64_15_f_5f_2f:Ge-O-Y,32.0,"Invalid WP multiplicities - AB5C2_mC64_15_f_19f_4f:Ge-O-Y, expected Y4GeO19 to be Y2GeO5" +mp-768814,Y2GeO5,-8.621055225,-3.3348785203,0.0115174656,-0.001477373,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Ge-O-Y,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_5c:Ge-O-Y, expected Y5GeO17 to be Y2GeO5" +mp-1227308,CaY2(GeO3)4,-7.7055935632,-2.8218610336000003,0.0,-0.0014530377,GGA,Cmme,AB4C12D2_oC76_67_c_o_mn2o_ae:Ca-Ge-O-Y,38.0,"Invalid WP multiplicities - AB4C12D2_oC76_67_c_o_3m2n9o_ae:Ca-Ge-O-Y, expected CaY2(Ge2O23)2 to be CaY2(GeO3)4" +mp-1216141,Y4GeO10,-8.2494436307,-2.9190570026,0.1895820077,0.1895820077,GGA,P1,AB10C4_aP15_1_a_10a_4a:Ge-O-Y,15.0,AB10C4_aP15_1_a_10a_4a:Ge-O-Y +mp-1183544,CaYO3,-7.493833682,-2.8314062566,0.4779890829,0.4779890829,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-Y,5.0,AB3C_cP5_221_a_c_b:Ca-O-Y +mp-669331,Ca3Y2(GeO4)3,-7.6927864201,-3.0838319218,0.0,-0.0074013221,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Y,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Y +mp-770210,CaY2O4,-8.6706450696,-3.7098883623,0.0717871159,0.0717871159,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Y,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ca-O-Y, expected CaY5O13 to be CaY2O4" +mp-756468,CaY2O4,-8.6660231629,-3.7052664555,0.0764090227,0.0764090227,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Y,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_ac2f_f:Ca-O-Y, expected CaY2O6 to be CaY2O4" +mp-753815,CaY2O4,-8.7030158914,-3.742259184,0.0394162941,0.0394162941,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Y,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Y +mp-1220146,Ni8Bi8SI2,-4.6904754182,-0.266886521,0.0,-0.0066741617,GGA,P2_12_12,A8B2C8D_oP38_18_4c_c_4c_a:Bi-I-Ni-S,38.0,A8B2C8D_oP38_18_4c_c_4c_a:Bi-I-Ni-S +mp-1105564,Ni8Bi8SI,-4.8050330106,-0.2175428607,0.0,-0.0024382056,GGA,P4,A8BC8D_tP18_75_2d_a_2d_b:Bi-I-Ni-S,18.0,A8BC8D_tP18_75_2d_a_2d_b:Bi-I-Ni-S +mp-23514,BiSI,-3.8790996908,-0.7289979085,0.0027741953,0.0027741953,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-I-S,12.0,ABC_oP12_62_c_c_c:Bi-I-S +mp-1227984,Bi19(S9I)3,-4.5236299465,-0.6649862950000001,0.0112848734,0.0112848734,GGA,R3,A19B3C27_hR294_146_2a12b_2b_18b:Bi-I-S,98.0,"Invalid WP multiplicities - A19B3C27_hR294_146_2a32b_2b_48b:Bi-I-S, expected Bi49(S24I)3 to be Bi19(S9I)3" +mp-541751,Ni4(Bi4I)3,-4.1043956089,-0.2293158547,0.0,-0.0097847063,GGA,Cmcm,A12B3C4_oC76_63_6f_cf_2f:Bi-I-Ni,38.0,A12B3C4_oC76_63_6f_cf_2f:Bi-I-Ni +mp-1198521,CeB5BrO11,-7.6689164567,-2.3746580032,0.2562166889,0.2562166889,GGA,P2_1/c,A5BCD11_mP72_14_5e_e_e_11e:B-Br-Ce-O,72.0,A5BCD11_mP72_14_5e_e_e_11e:B-Br-Ce-O +mp-20178,CeBO3,-8.898571303,-3.4080618911,0.0,-0.020427383,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:B-Ce-O,10.0,ABC3_mP10_11_e_e_ef:B-Ce-O +mp-20882,CeBO3,-8.89645118,-3.4059417681,0.002120123,-0.01830726,GGA,Pnma,ABC3_oP20_62_c_c_cd:B-Ce-O,20.0,ABC3_oP20_62_c_c_cd:B-Ce-O +mp-558621,Ce(BO2)3,-8.7224280258,-3.1572883522,0.0,-0.0273814188,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:B-Ce-O,40.0,"Invalid WP multiplicities - A3BC6_mP40_14_9e_e_16e:B-Ce-O, expected CeB9O16 to be Ce(BO2)3" +mp-20376,Ce(BO2)3,-8.690634068,-3.1254943945,0.0317939578,0.0044125389,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:B-Ce-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_ef_e_6f:B-Ce-O, expected Ce(BO4)3 to be Ce(BO2)3" +mp-555610,Ce(BO2)3,-8.6836965975,-3.118556924,0.0387314283,0.0113500094,GGA,Pca2_1,A3BC6_oP40_29_3a_a_6a:B-Ce-O,40.0,"Invalid WP multiplicities - A3BC6_oP40_29_8a_a_23a:B-Ce-O, expected CeB8O23 to be Ce(BO2)3" +mp-1019597,Ce4B14O27,-8.6724327518,-3.099000827,0.0184576735,0.0184576735,GGA,C2/c,A14B4C27_mC180_15_7f_2f_e13f:B-Ce-O,90.0,A14B4C27_mC180_15_7f_2f_e13f:B-Ce-O +mp-1228669,Ce2B12Br2O27,-7.6060639713,-2.2877957986,0.2402411164,0.2402411164,GGA,P2_1,A12B2C2D27_mP86_4_12a_2a_2a_27a:B-Br-Ce-O,86.0,"Invalid WP multiplicities - A12B2C2D27_mP86_4_18a_3a_3a_40a:B-Br-Ce-O, expected Ce3B18Br3O40 to be Ce2B12Br2O27" +mp-1019592,Ce2B8O15,-8.6388479002,-3.0587821744,0.0268124447,0.0268124447,GGA,P2/c,A8B2C15_mP50_13_4g_g_e7g:B-Ce-O,50.0,A8B2C15_mP50_13_4g_g_e7g:B-Ce-O +mp-861504,PrBO3,-8.7102466375,-3.4501739056,0.0,-0.0965761213,GGA,Pnma,AB3C_oP20_62_c_cd_c:B-O-Pr,20.0,AB3C_oP20_62_c_cd_c:B-O-Pr +mp-1220740,Pr2B12Br2O27,-7.5751432293,-2.3104649822,0.1630110642,0.1630110642,GGA,P2_1,A12B2C27D2_mP86_4_12a_2a_27a_2a:B-Br-O-Pr,86.0,"Invalid WP multiplicities - A12B2C27D2_mP86_4_18a_3a_40a_3a:B-Br-O-Pr, expected Pr3B18Br3O40 to be Pr2B12Br2O27" +mp-1204691,Pr(BO2)5,-8.232759055,-2.7549620724,0.0950455086,0.0950455086,GGA,P2_1/c,A5B10C_mP64_14_5e_10e_e:B-O-Pr,64.0,A5B10C_mP64_14_5e_10e_e:B-O-Pr +mp-1209395,Pr3BBr3,-5.1915833843,-1.5228413806,0.0,-0.0508360611,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Br-Pr,28.0,AB3C3_cI56_214_a_h_g:B-Br-Pr +mp-11183,Pr(BO2)3,-8.61052362,-3.1606022865,0.0,-0.0197001055,GGA,C2/c,A3B6C_mC40_15_ef_3f_e:B-O-Pr,20.0,"Invalid WP multiplicities - A3B6C_mC40_15_2e2f_4f_e:B-O-Pr, expected Pr(B3O4)2 to be Pr(BO2)3" +mp-559104,Pr4B10O21,-8.6125712136,-3.1897711089,0.0121985518,0.0121985518,GGA,P2_1/c,A10B21C4_mP140_14_10e_21e_4e:B-O-Pr,140.0,"Invalid WP multiplicities - A10B21C4_mP140_14_36e_84e_12e:B-O-Pr, expected PrB3O7 to be Pr4B10O21" +mp-8697,ScBO3,-9.008089935,-3.4377045331,0.0,-0.0194337986,GGA,R-3c,AB3C_hR30_167_a_e_b:B-O-Sc,10.0,AB3C_hR30_167_a_e_b:B-O-Sc +mp-1223873,HoSc(BO3)2,-8.884675599,-3.4892962206,0.009991755,0.009991755,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Ho-O-Sc,10.0,A2BC6D_hR30_148_c_a_f_b:B-Ho-O-Sc +mp-1203138,Sc3B5O12,-8.868195949,-3.2804644138,0.0,-0.0024810924,GGA,Pmna,A5B12C3_oP80_53_e2hi_g3h4i_fi:B-O-Sc,80.0,A5B12C3_oP80_53_e2hi_g3h4i_fi:B-O-Sc +mp-30960,Dy2(WO4)3,-9.0665364738,-2.7460524206,0.0403186271,0.0403186271,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Dy-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_9f_ef:Dy-O-W, expected Dy2(WO6)3 to be Dy2(WO4)3" +mp-772682,Dy2W2O9,-9.0243124962,-2.8973869161,0.0719245072,0.0719245072,GGA+U,P-1,A2B9C2_aP26_2_2i_9i_2i:Dy-O-W,26.0,"Invalid WP multiplicities - A2B9C2_aP26_2_3i_17i_3i:Dy-O-W, expected Dy3W3O17 to be Dy2W2O9" +mp-766046,Tl(WO3)3,-8.67355529,-2.0768451179,0.0,-0.0114017278,GGA+U,P6mm,A9BC3_hP13_183_ce_a_c:O-Tl-W,13.0,"Invalid WP multiplicities - A9BC3_hP13_183_3c3e_a_c:O-Tl-W, expected Tl(WO9)3 to be Tl(WO3)3" +mp-754164,Tl6WO12,-5.8718399547,-1.3195108155,0.0140809414,0.0140809414,GGA+U,R-3,A12B6C_hR57_148_2f_f_a:O-Tl-W,19.0,"Invalid WP multiplicities - A12B6C_hR57_148_7f_f_a:O-Tl-W, expected Tl6WO42 to be Tl6WO12" +mp-1212931,DyTl(WO4)2,-8.5469682329,-2.5087015549,0.0,-0.0382245708,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Dy-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Dy-O-Tl-W +mp-673812,Tl(WO3)6,-8.8901897248,-2.1241168716,0.0201715848,0.0079137065,GGA+U,P-31m,A18BC6_hP25_162_fgl_a_k:O-Tl-W,25.0,"Invalid WP multiplicities - A18BC6_hP25_162_3f3g4l_a_k:O-Tl-W, expected Tl(WO11)6 to be Tl(WO3)6" +mp-33436,Tl(WO3)6,-8.9103613096,-2.1442884564,0.0,-0.0122578783,GGA+U,P6/mmm,A18BC6_hP25_191_fgo_a_i:O-Tl-W,25.0,"Invalid WP multiplicities - A18BC6_hP25_191_3f3g4o_a_i:O-Tl-W, expected Tl(WO11)6 to be Tl(WO3)6" +mp-1187621,TlWO3,-7.67704244,-1.6448745379,0.157751964,0.157751964,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Tl-W,5.0,A3BC_cP5_221_c_a_b:O-Tl-W +mp-755673,DyWO4,-9.2102221733,-2.9849435208,0.010584259,0.010584259,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Dy-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_3g_f:Dy-O-W, expected DyWO6 to be DyWO4" +mp-761282,DyWO4,-9.1514540425,-2.92617539,0.0693523898,0.0693523898,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Dy-O-W,12.0,AB4C_tI24_88_a_f_b:Dy-O-W +mp-19341,Tl2WO4,-7.0548417464,-1.7019601224,0.0,-0.0837182404,GGA+U,P-3m1,A4B2C_hP14_164_di_abd_d:O-Tl-W,14.0,A4B2C_hP14_164_di_abd_d:O-Tl-W +mp-770559,Dy2WO6,-9.0761805969,-3.3148654661,0.0,-0.1005196342,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:Dy-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_ef2g_23g_g:Dy-O-W, expected Dy3WO23 to be Dy2WO6" +mp-782639,Dy2WO6,-9.0398521914,-3.2785370606,0.0363284056,-0.0641912286,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Dy-O-W,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_3e2f_19f_f:Dy-O-W, expected Dy7(WO19)2 to be Dy2WO6" +mp-770570,Dy2WO6,-9.0736254422,-3.3123103114,0.0025551547,-0.0979644794,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Dy-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Dy-O-W, expected Dy5WO21 to be Dy2WO6" +mp-770416,Dy2WO6,-9.0746105171,-3.3132953863,0.0015700799,-0.0989495543,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Dy-O-W,72.0,A2B6C_oP72_61_2c_6c_c:Dy-O-W +mp-1212941,DyWO5,-8.6617807014,-2.6191577548,0.1380599954,0.1380599954,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Dy-O-W,28.0,AB5C_mP28_14_e_5e_e:Dy-O-W +mp-1100974,U3Bi2O9,-9.1442999171,-2.9960565821,6.593794655,6.593794655,GGA,I-4m2,A2B9C3_tI28_119_e_c4f_ae:Bi-O-U,14.0,"Invalid WP multiplicities - A2B9C3_tI28_119_e_c6f_a2e:Bi-O-U, expected U5Bi2O13 to be U3Bi2O9" +mp-548598,U(BiO3)2,-7.9306797022,-2.5248440869,3.1169321731,3.1169321731,GGA,P-3m1,A2B6C_hP9_164_d_c2d_a:Bi-O-U,9.0,A2B6C_hP9_164_d_c2d_a:Bi-O-U +mp-27775,U(BiO3)2,-7.9705423156,-2.5647067003,3.0770695597,3.0770695597,GGA,P-3m1,A2B6C_hP9_164_d_c2d_a:Bi-O-U,9.0,"Invalid WP multiplicities - A2B6C_hP9_164_d_c3d_a:Bi-O-U, expected U(BiO4)2 to be U(BiO3)2" +mp-1204439,U(AsO6)2,-6.1171879576,-0.7858605339,0.9063261302,0.9063261302,GGA,I4_1/acd,A2B12C_tI240_142_g_de5g_f:As-O-U,120.0,A2B12C_tI240_142_g_de5g_f:As-O-U +mp-1192909,UBiO5,-8.2364415871,-2.5413926305,4.0792651113,4.0792651113,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-U,28.0,AB5C_mP28_14_e_5e_e:Bi-O-U +mp-676230,U2Bi2O7,-8.6655935145,-2.7664463092,5.6222621136,5.6222621136,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Bi-O-U,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Bi-O-U, expected UBi2O7 to be U2Bi2O7" +mp-676296,U(BiO2)4,-7.2318054646,-2.1374303708,2.3706628062,2.3706628062,GGA,Immm,A4B8C_oI26_71_2e_4f_a:Bi-O-U,13.0,"Invalid WP multiplicities - A4B8C_oI26_71_3e_7f_a:Bi-O-U, expected U(Bi3O7)2 to be U(BiO2)4" +mp-729862,U3As2O19,-7.5704482576,-1.8546335762,0.4073609336,0.4073609336,GGA,Pca2_1,A2B19C3_oP96_29_2a_19a_3a:As-O-U,96.0,A2B19C3_oP96_29_2a_19a_3a:As-O-U +mp-1101031,U2Bi18O31,-6.4451728427,-1.6400949132,1.4730058551,1.4730058551,GGA,R3m,A18B31C2_hR153_160_18a_31a_2a:Bi-O-U,51.0,A18B31C2_hR153_160_18a_31a_2a:Bi-O-U +mp-1178893,UBi4(AsO8)2,-6.8695076661000005,-1.8643501565,1.2695056465,1.2695056465,GGA,P-1,A2B4C16D_aP23_2_i_2i_8i_a:As-Bi-O-U,23.0,A2B4C16D_aP23_2_i_2i_8i_a:As-Bi-O-U +mp-1196655,UBi4(AsO8)2,-6.8487425186,-1.843585009,1.290270794,1.290270794,GGA,Pbcm,A2B4C16D_oP92_57_e_2e_2c2d6e_d:As-Bi-O-U,92.0,A2B4C16D_oP92_57_e_2e_2c2d6e_d:As-Bi-O-U +mp-677724,U8Bi2O19,-18.4885477417,-11.8678807123,0.0,-8.4000889112,GGA,P1,A2B19C8_aP29_1_2a_19a_8a:Bi-O-U,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:Bi-O-U, expected U14Bi2O35 to be U8Bi2O19" +mp-753853,U4BiO10,-9.9693167053,-3.4044489532,8.0678357354,8.0678357354,GGA,I4/m,AB10C4_tI30_87_a_di_h:Bi-O-U,15.0,"Invalid WP multiplicities - AB10C4_tI30_87_a_d2i_h:Bi-O-U, expected U4BiO18 to be U4BiO10" +mp-1247237,Mg2In3WS8,-5.0903914729,-0.9828671546,0.1591365811,0.1591365811,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:In-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:In-Mg-S-W, expected Mg2In3WS22 to be Mg2In3WS8" +mp-1246242,Mg2InW3S8,-6.5514937314,-0.9859056275,0.2352334493,0.2352334493,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:In-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_160_a_2a_2a3b_b:In-Mg-S-W, expected Mg2InW3S11 to be Mg2InW3S8" +mp-1246484,MgInWS4,-5.7093594071,-0.8728031961,0.3133123318,0.3133123318,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:In-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:In-Mg-S-W, expected MgInWS12 to be MgInWS4" +mp-28373,BaP3Pt2,-5.9496069525,-0.8994154358,0.0,-0.0178584446,GGA,P2_1/c,AB3C2_mP24_14_e_3e_abe:Ba-P-Pt,24.0,"Invalid WP multiplicities - AB3C2_mP24_14_e_4e_2ade:Ba-P-Pt, expected Ba2P8Pt5 to be BaP3Pt2" +mp-675756,Ba3P4O13,-6.9961464415000005,-2.4102920369,0.7051114734,0.7051114734,GGA,P1,A3B13C4_aP20_1_3a_13a_4a:Ba-O-P,20.0,A3B13C4_aP20_1_3a_13a_4a:Ba-O-P +mp-1228160,Ba3P4O13,-7.699141409,-3.1132870044,0.0021165059,0.0021165059,GGA,P1,A3B13C4_aP20_1_3a_13a_4a:Ba-O-P,20.0,A3B13C4_aP20_1_3a_13a_4a:Ba-O-P +mp-30088,Ba3P4O13,-7.7008958488,-3.1150414441,0.0003620661,0.0003620661,GGA,P-1,A3B13C4_aP40_2_bd2i_13i_4i:Ba-O-P,40.0,A3B13C4_aP40_2_bd2i_13i_4i:Ba-O-P +mp-779491,BaP4O11,-7.6289502491,-2.7548401997000003,0.0198317262,0.0036255789,GGA,P-1,AB11C4_aP64_2_2i_22i_8i:Ba-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_3i_43i_15i:Ba-O-P, expected Ba3P15O43 to be BaP4O11" +mp-779413,BaP4O11,-7.6379663934,-2.763856344,0.0108155819,-0.0053905655,GGA,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ba-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_15e:Ba-O-P, expected BaP15O43 to be BaP4O11" +mp-779518,BaP4O11,-7.6487819753,-2.7746719259,0.0,-0.0162061473,GGA,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ba-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_41e_13e:Ba-O-P, expected BaP13O41 to be BaP4O11" +mp-849230,BaP4O11,-7.632528535,-2.7584184856,0.0162534403,4.7293e-05,GGA,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ba-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_13e:Ba-O-P, expected BaP13O43 to be BaP4O11" +mp-733580,BaPO4,-7.3458470579,-2.8260083426,0.1296135493,0.1296135493,GGA,Pna2_1,AB4C_oP72_33_3a_12a_3a:Ba-O-P,72.0,AB4C_oP72_33_3a_12a_3a:Ba-O-P +mp-772748,Ba2P6O17,-7.6641598744,-2.8477009539,0.0017133787,0.0017133787,GGA,P2_1,A2B17C6_mP50_4_2a_17a_6a:Ba-O-P,50.0,"Invalid WP multiplicities - A2B17C6_mP50_4_3a_33a_11a:Ba-O-P, expected Ba3(PO3)11 to be Ba2P6O17" +mp-779723,Ba2P6O17,-7.6507761186,-2.8343171981,0.0150971345,0.0150971345,GGA,P2_1/c,A2B17C6_mP50_14_e_a8e_3e:Ba-O-P,50.0,"Invalid WP multiplicities - A2B17C6_mP50_14_e_2a31e_9e:Ba-O-P, expected BaP9O32 to be Ba2P6O17" +mp-1214387,BaP2O5,-7.1470167988,-2.4621388601,0.4375932701,0.4375932701,GGA,Fdd2,AB5C2_oF64_43_a_a2b_b:Ba-O-P,16.0,AB5C2_oF64_43_a_a2b_b:Ba-O-P +mp-3857,Ba3(PO4)2,-7.6152606269,-3.2954883559,0.0,-0.1192479191,GGA,R-3m,A3B8C2_hR39_166_ac_ch_c:Ba-O-P,13.0,"Invalid WP multiplicities - A3B8C2_hR39_166_ac_c2h_c:Ba-O-P, expected Ba3(PO7)2 to be Ba3(PO4)2" +mp-28164,Ba4P2O,-4.858491815,-1.5086070315,0.0,-0.0002359386,GGA,Cmce,A4BC2_oC28_64_ef_a_f:Ba-O-P,14.0,A4BC2_oC28_64_ef_a_f:Ba-O-P +mp-675424,Ba2P2O7,-7.6686156582,-3.187581488,0.0367333032,-0.0014548968,GGA,Amm2,A2B7C2_oC66_38_abde_ace4f_cf:Ba-O-P,33.0,"Invalid WP multiplicities - A2B7C2_oC66_38_ab2de_a2ce14f_cf:Ba-O-P, expected Ba8(P2O21)3 to be Ba2P2O7" +mp-1019530,Ba2P2O7,-7.7053489614,-3.2243147912,0.0,-0.0381882,GGA,Pnma,A2B7C2_oP44_62_2c_3c2d_2c:Ba-O-P,44.0,A2B7C2_oP44_62_2c_3c2d_2c:Ba-O-P +mp-727990,BaP4PtO14,-6.4506067407,-1.5057587285,0.8770635672,0.8770635672,GGA,P2_1/c,AB14C4D_mP80_14_e_14e_4e_e:Ba-O-P-Pt,80.0,AB14C4D_mP80_14_e_14e_4e_e:Ba-O-P-Pt +mp-1182817,Ba3(P3O13)2,-6.486660616,-1.7194992916,0.5811242085,0.5811242085,GGA,C2/c,A3B26C6_mC140_15_ef_13f_3f:Ba-O-P,70.0,A3B26C6_mC140_15_ef_13f_3f:Ba-O-P +mp-729070,Ba3(P3O13)2,-6.4944124607,-1.7272511364,0.5733723638,0.5733723638,GGA,C2/c,A3B26C6_mC140_15_ef_13f_3f:Ba-O-P,70.0,A3B26C6_mC140_15_ef_13f_3f:Ba-O-P +mp-1182637,Ba(PO4)2,-6.5957835229,-1.8395026462,0.6005525812,0.6005525812,GGA,P-1,AB8C2_aP66_2_3i_24i_6i:Ba-O-P,66.0,AB8C2_aP66_2_3i_24i_6i:Ba-O-P +mp-1191385,Ba(PO4)2,-6.9329054418,-2.1766245652,0.2634306623,0.2634306623,GGA,P-1,AB8C2_aP22_2_i_8i_2i:Ba-O-P,22.0,AB8C2_aP22_2_i_8i_2i:Ba-O-P +mp-1196761,Ba(PO4)2,-6.8338001764000005,-2.0775192997,0.3625359277,0.3625359277,GGA,P-1,AB8C2_aP66_2_3i_24i_6i:Ba-O-P,66.0,AB8C2_aP66_2_3i_24i_6i:Ba-O-P +mp-21236,BaPPt,-5.5479774358,-1.0801738469,0.0,-0.1991863303,GGA,P2_13,ABC_cP12_198_a_a_a:Ba-P-Pt,12.0,ABC_cP12_198_a_a_a:Ba-P-Pt +mp-559939,Ba(PO3)2,-7.6962577469,-2.9822897224,0.0,-0.0157707728,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ba-O-P,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_21e_5e:Ba-O-P, expected BaP5O21 to be Ba(PO3)2" +mp-27457,Ba(PO3)2,-7.6950727111,-2.9811046866,0.0011850358,-0.014585737,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:Ba-O-P,36.0,AB6C2_oP36_19_a_6a_2a:Ba-O-P +mp-29282,P2PtO7,-7.2340397725,-2.0815838413,0.0,-0.095510339,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_ad:O-P-Pt,40.0,A7B2C_mP40_14_7e_2e_ab:O-P-Pt +mp-1228675,Ba3(P3O11)2,-7.0343517226,-2.2903552223,0.307122923,0.307122923,GGA,Cm,A3B22C6_mC62_8_3a_6a8b_2a2b:Ba-O-P,31.0,A3B22C6_mC62_8_3a_6a8b_2a2b:Ba-O-P +mp-1204451,Ba5P3O13,-7.4875591286,-3.1950955349,0.0200751426,0.0200751426,GGA,P6_3,A5B13C3_hP42_173_2bc_a4c_c:Ba-O-P,42.0,A5B13C3_hP42_173_2bc_a4c_c:Ba-O-P +mp-727115,Ba5P3O13,-7.48676559,-3.1943019964,0.0208686812,0.0208686812,GGA,P6_3/m,A5B13C3_hP42_176_fh_b2hi_h:Ba-O-P,42.0,A5B13C3_hP42_176_fh_b2hi_h:Ba-O-P +mp-556099,Yb3B5O12,-7.7883966637,-2.9195942523,0.0244335109,0.0244335109,GGA,Pmna,A5B12C3_oP80_53_e2hi_g3h4i_fi:B-O-Yb,,"Invalid WP multiplicities - A5B12C3_oP80_53_4e8h6i_4g9h25i_4f4i:B-O-Yb, expected Yb4B8O21 to be Yb3B5O12" +mp-10058,YbCo3B2,-6.4504394417,-0.4132152406,0.0,-0.1297214808,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Yb,,A2B3C_hP6_191_c_g_a:B-Co-Yb +mp-752484,YbB4O7,-8.2980085596,-3.0576755311,0.0,-0.1202676018,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:B-O-Yb,,"Invalid WP multiplicities - A4B7C_oP24_31_4b_2a6b_a:B-O-Yb, expected Yb(B4O7)2 to be YbB4O7" +mp-1100857,Yb3B3O7,-7.4671168165,-2.9068228834000003,0.2815496324,0.2815496324,GGA,Amm2,A3B7C3_oC52_38_ab2c_7c_3c:B-O-Yb,,"Invalid WP multiplicities - A3B7C3_oC52_38_ab2c_11c_4c:B-O-Yb, expected Yb4B3O11 to be Yb3B3O7" +mp-22622,YbCoB4,-6.3368169733,-0.4425681136,0.0065294993,0.0065294993,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Yb,,A4BC_oP24_55_4h_g_g:B-Co-Yb +mp-651008,YbCo(BO2)5,-8.0947378307,-2.7116924165,0.0768641376,0.0768641376,GGA+U,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Co-O-Yb,,"Invalid WP multiplicities - A5BC10D_mP68_14_17e_e_36e_e:B-Co-O-Yb, expected YbCoB17O36 to be YbCo(BO2)5" +mp-1100836,YbBO3,-7.557534623,-2.9457213861,0.004491558,-0.0220113241,GGA,P2_1/m,AB3C_mP10_11_e_ef_a:B-O-Yb,,"Invalid WP multiplicities - AB3C_mP10_11_e_2ef_a:B-O-Yb, expected YbBO4 to be YbBO3" +mp-1215682,YbBO3,-7.501292724,-2.8894794871,0.060733457,0.0342305749,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Yb,,AB3C_oC20_40_b_bc_a:B-O-Yb +mp-5364,YbBO3,-7.562026181,-2.9502129441,0.0,-0.0265028821,GGA,R-3c,AB3C_hR30_167_a_e_b:B-O-Yb,,AB3C_hR30_167_a_e_b:B-O-Yb +mp-14237,YbBO3,-7.4214598227,-2.8096465858,0.1405663583,0.1140634762,GGA,P6_3/mcm,AB3C_hP30_193_g_gk_bd:B-O-Yb,,"Invalid WP multiplicities - AB3C_hP30_193_g_g2k_bd:B-O-Yb, expected YbBO5 to be YbBO3" +mp-760657,Yb(BO2)3,-8.001206742,-2.875415156,0.0624274262,0.0624274262,GGA,C2/c,A3B6C_mC40_15_ef_3f_e:B-O-Yb,,"Invalid WP multiplicities - A3B6C_mC40_15_2ef_11f_e:B-O-Yb, expected Yb(B2O11)2 to be Yb(BO2)3" +mp-1183177,Ag3W,-4.4962892175,0.8676603425,0.8676603425,0.8676603425,GGA,Fm-3m,A3B_cF16_225_ac_b:Ag-W,4.0,A3B_cF16_225_ac_b:Ag-W +mp-1220547,NbWO7,-8.1968062778,-1.7872222501,0.3672398058,0.3672398058,GGA+U,Ima2,AB7C_oI36_46_a_3b2c_b:Nb-O-W,18.0,"Invalid WP multiplicities - AB7C_oI36_46_a_5b8c_b:Nb-O-W, expected NbWO21 to be NbWO7" +mp-1046949,Nb2WO8,-9.1459452295,-2.5337406841,0.1947191067,0.1947191067,GGA+U,C2/c,A2B8C_mC44_15_f_4f_e:Nb-O-W,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_5f_e:Nb-O-W, expected Nb2WO10 to be Nb2WO8" +mp-637188,Ag2WO4,-6.8365601337,-1.3494176935,0.0414675243,0.0414675243,GGA+U,Pnn2,A2B4C_oP56_34_a3b2c_8c_2ac:Ag-O-W,56.0,A2B4C_oP56_34_a3b2c_8c_2ac:Ag-O-W +mp-1204999,Ag2WO4,-6.392157448,-0.9050150078,0.48587021,0.48587021,GGA+U,Pnn2,A2B4C_oP56_34_a3b2c_8c_2ac:Ag-O-W,56.0,A2B4C_oP56_34_a3b2c_8c_2ac:Ag-O-W +mp-504466,Ag2WO4,-6.839305545,-1.3521631048,0.038722113,0.038722113,GGA+U,Pnnm,A2B4C_oP56_58_aceh_2g3h_fg:Ag-O-W,56.0,A2B4C_oP56_58_aceh_2g3h_fg:Ag-O-W +mp-1220513,NbAgWO7,-7.9560352065,-1.9041539813,0.1366946267,0.1366946267,GGA+U,Imma,ABC7D_oI40_74_a_c_3ej_b:Ag-Nb-O-W,20.0,"Invalid WP multiplicities - ABC7D_oI40_74_a_c_5e2j_b:Ag-Nb-O-W, expected NbAgWO13 to be NbAgWO7" +mp-32537,Ag2W2O7,-7.6682969641,-1.6493702872,0.0327620611,0.0327620611,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Ag-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_14i_2i:Ag-O-W, expected Ag3(WO7)2 to be Ag2W2O7" +mp-704637,Nb12WO33,-9.4210060239,-2.95547302,0.0063106682,0.0063106682,GGA+U,P1,A12B33C_aP46_1_12a_33a_a:Nb-O-W,46.0,A12B33C_aP46_1_12a_33a_a:Nb-O-W +mp-1198790,Nb12WO33,-9.4202529413,-2.9547199374,0.0070637508,0.0070637508,GGA+U,C2,A12B33C_mC92_5_6c_a16c_b:Nb-O-W,46.0,A12B33C_mC92_5_6c_a16c_b:Nb-O-W +mp-1181356,Ga3S2O15,-5.7348324655,-1.156956542,0.4191537001,0.4191537001,GGA,R-3m,A3B15C2_hR60_166_d_ac2h_c:Ga-O-S,20.0,A3B15C2_hR60_166_d_ac2h_c:Ga-O-S +mp-4112,Tl2SO4,-5.7674898082,-1.674848236,0.0,-0.1421951806,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:O-S-Tl,28.0,A4BC2_oP28_62_2cd_c_2c:O-S-Tl +mp-1208039,TlGa(SO4)2,-6.2978766883,-1.8614476389,0.0061042207,0.0061042207,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:Ga-O-S-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Ga-O-S-Tl +mp-556717,Tl3Ga9S13O2,-4.7336886626,-1.1037620206,0.0,-0.0124834178,GGA,P-6,A9B2C13D3_hP27_174_jl_i_ajkl_bcd:Ga-O-S-Tl,27.0,"Invalid WP multiplicities - A9B2C13D3_hP27_174_3j4l_i_a3j3k4l_bcd:Ga-O-S-Tl, expected Tl3Ga33S43O2 to be Tl3Ga9S13O2" +mp-734913,Tl3S2O9,-5.8313235711,-1.5541073157,0.0404247716,0.0404247716,GGA,Cc,A9B2C3_mC56_9_9a_2a_3a:O-S-Tl,28.0,A9B2C3_mC56_9_9a_2a_3a:O-S-Tl +mp-1208247,Tl2S2O3,-5.2329769421,-1.2560837763,0.1254735954,0.1254735954,GGA,Pnma,A3B2C2_oP28_62_cd_2c_2c:O-S-Tl,28.0,A3B2C2_oP28_62_cd_2c_2c:O-S-Tl +mp-4016,TlGaS2,-4.3033043834,-0.8873946577,0.0,-0.0929760325,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Ga-S-Tl,32.0,"Invalid WP multiplicities - AB2C_mC64_15_4f_3e4f_2f:Ga-S-Tl, expected Tl4Ga8S11 to be TlGaS2" +mp-1102280,TlS2O9,-5.7674214742,-1.1711097007,0.1837388916,0.1837388916,GGA,R32,A9B2C_hR36_155_acf_c_b:O-S-Tl,12.0,A9B2C_hR36_155_acf_c_b:O-S-Tl +mp-1208021,TlSO4,-6.0383995983,-1.6574249552,0.0,-0.097917411,GGA,R32,A4BC_hR36_155_cf_c_ab:O-S-Tl,12.0,A4BC_hR36_155_cf_c_ab:O-S-Tl +mp-1216815,Tl3(SO4)2,-5.8700157662,-1.644297392,0.0225093298,0.0225093298,GGA,C2/m,A8B2C3_mC26_12_2ij_i_ai:O-S-Tl,13.0,"Invalid WP multiplicities - A8B2C3_mC26_12_3i2j_i_ai:O-S-Tl, expected Tl3(SO7)2 to be Tl3(SO4)2" +mp-1179513,Tl2S2O15,-4.8348737697,-0.2454781542,0.8013165544,0.8013165544,GGA,Pnma,A15B2C2_oP76_62_7c4d_2c_d:O-S-Tl,76.0,A15B2C2_oP76_62_7c4d_2c_d:O-S-Tl +mp-541451,Ga2(SO4)3,-6.5248890094,-1.9469004106,0.0,-0.1651533309,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Ga-O-S,34.0,A2B12C3_hR102_148_2c_4f_f:Ga-O-S +mp-2713792,Ga2(SO4)3,-6.5083412666000005,-1.9303526677,0.0165477428,-0.148605588,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Ga-O-S,102.0,A2B12C3_hR102_167_c_2f_e:Ga-O-S +mp-690541,Tl2SO3,-5.3527094942,-1.4024091118,0.1269978823,0.1269978823,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:O-S-Tl,24.0,"Invalid WP multiplicities - A3BC2_mP24_14_11e_e_7e:O-S-Tl, expected Tl7SO11 to be Tl2SO3" +mp-1101613,Tl2SO3,-5.3419736612,-1.3916732789,0.1377337152,0.1377337152,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:O-S-Tl,24.0,"Invalid WP multiplicities - A3BC2_mP24_14_11e_e_7e:O-S-Tl, expected Tl7SO11 to be Tl2SO3" +mp-559278,K2S,-3.254517455,-1.135434868,0.0872531617,-0.3465266743,GGA,P6_3/mmc,A2B_hP6_194_ac_d:K-S,6.0,"Invalid WP multiplicities - A2B_hP6_194_a2c_d:K-S, expected K3S to be K2S" +mp-1022,K2S,-3.3417706167,-1.2226880297,0.0,-0.433779836,GGA,Fm-3m,A2B_cF12_225_c_a:K-S,3.0,A2B_cF12_225_c_a:K-S +mp-9511,K2AsAuS4,-4.2226445219,-0.8851948011,0.0,-0.0223619701,GGA,P2_1/m,ABC2D4_mP16_11_e_a_2e_2ef:As-Au-K-S,16.0,"Invalid WP multiplicities - ABC2D4_mP16_11_e_a_4e_2ef:As-Au-K-S, expected K4AsAuS4 to be K2AsAuS4" +mp-1196514,KS3,-4.2761852947,-0.8962481578,0.0,-0.0692371173,GGA,P2_1/c,AB3_mP32_14_2e_6e:K-S,32.0,AB3_mP32_14_2e_6e:K-S +mp-1180648,KS,-2.794245315,-0.1708209081,1.0125413825,0.9702343431,GGA,C2/m,AB_mC4_12_a_c:K-S,2.0,AB_mC4_12_a_c:K-S +mp-1180621,KS,-3.39224794,-0.7688235331000001,0.4145387575,0.3722317181,GGA,P4/mmm,AB_tP2_123_a_d:K-S,2.0,AB_tP2_123_a_d:K-S +mp-1287,KS,-3.8067866975,-1.1833622906,0.0,-0.0423070394,GGA,P-62m,AB_hP12_189_fg_eh:K-S,12.0,AB_hP12_189_fg_eh:K-S +mp-1057125,KS,-3.3369121550000003,-0.7134877481,0.4698745425,0.4275675031,GGA,Pm-3m,AB_cP2_221_a_b:K-S,2.0,AB_cP2_221_a_b:K-S +mp-1058119,KS,-3.220066445,-0.5966420381,0.5867202525,0.5444132131,GGA,Fm-3m,AB_cF8_225_a_b:K-S,2.0,AB_cF8_225_a_b:K-S +mp-672372,K2S5,-4.1564180614,-0.8845541717000001,0.0606013032,0.0583195638,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:K-S,28.0,"Invalid WP multiplicities - A2B5_oP28_19_6a_18a:K-S, expected KS3 to be K2S5" +mp-17146,K2S5,-4.2170193646,-0.9451554749,0.0,-0.0022817394,GGA,P2_12_12_1,A2B5_oP28_19_2a_5a:K-S,28.0,A2B5_oP28_19_2a_5a:K-S +mp-7077,KAuS,-3.7691933967,-0.928949792,0.0,-0.0464457444,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-K-S,6.0,ABC_oC12_63_a_c_c:Au-K-S +mp-1202105,K3AsS4,-4.1880057309,-1.1209913917,0.0016725781,-0.0379125574,GGA,Pna2_1,AB3C4_oP32_33_a_3a_4a:As-K-S,32.0,AB3C4_oP32_33_a_3a_4a:As-K-S +mp-3797,K3AsS4,-4.1896783091,-1.1226639699,0.0,-0.0395851356,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-K-S,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_2c2d_2c2d:As-K-S, expected K6AsS6 to be K3AsS4" +mp-3592,KAuS5,-4.2757386507,-0.6948057534000001,0.0,-0.1313015048,GGA,Ibam,ABC5_oI56_72_f_ad_j2k:Au-K-S,28.0,ABC5_oI56_72_f_ad_j2k:Au-K-S +mp-1193111,K3AsS3,-4.0825068157,-1.1682689805,0.0,-0.0822288329,GGA,P2_13,AB3C3_cP28_198_a_3a_b:As-K-S,28.0,AB3C3_cP28_198_a_3a_b:As-K-S +mp-7667,K2S3,-4.018105083,-1.0920755841,0.0,-0.0198764742,GGA,Cmc2_1,A2B3_oC20_36_2a_ab:K-S,10.0,A2B3_oC20_36_2a_ab:K-S +mp-29341,K4Au6S5,-3.7989430593,-0.8144672512000001,0.0,-0.0233691363,GGA,P-62c,A6B4C5_hP30_190_i_ah_fh:Au-K-S,30.0,"Invalid WP multiplicities - A6B4C5_hP30_190_i_a2h_f2h:Au-K-S, expected K7(Au3S4)2 to be K4Au6S5" +mp-1182774,CsSO4,-6.0220418233,-1.8856073093,0.0,-0.0107318132,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-O-S,24.0,AB4C_mP24_14_e_4e_e:Cs-O-S +mp-1191173,CsSO4,-6.0206875621,-1.8842530481,0.0013542613,-0.009377552,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-O-S,24.0,AB4C_mP24_14_e_4e_e:Cs-O-S +mp-1191837,CsSO4,-5.9335425804,-1.7971080664,0.0884992429,0.0777674297,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cs-O-S,24.0,AB4C_mP24_14_e_4e_e:Cs-O-S +mp-1213338,CsSO4,-6.0142124802,-1.8777779662,0.0078293431,-0.0029024701,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cs-O-S,48.0,AB4C_mP48_14_2e_8e_2e:Cs-O-S +mp-1202917,CsPr(SO6)2,-5.8786280058,-1.296785981,0.617286228,0.617286228,GGA,P2_1/c,AB12CD2_mP64_14_e_12e_e_2e:Cs-O-Pr-S,64.0,AB12CD2_mP64_14_e_12e_e_2e:Cs-O-Pr-S +mp-753879,Pr2S2O,-7.438218316,-2.881938325,0.0070536956,0.0070536956,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-Pr-S,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_3e:O-Pr-S, expected Pr3S3O to be Pr2S2O" +mp-1068320,CsSO3,-5.862468574,-1.8880848995,0.1874307605,0.152462496,GGA,R3m,AB3C_hR15_160_a_b_a:Cs-O-S,5.0,AB3C_hR15_160_a_b_a:Cs-O-S +mp-561681,CsSO3,-6.0498993345,-2.07551566,0.0,-0.0349682645,GGA,P6_3mc,AB3C_hP20_186_ab_2c_2b:Cs-O-S,20.0,"Invalid WP multiplicities - AB3C_hP20_186_2a2b_6c_2b:Cs-O-S, expected Cs2SO9 to be CsSO3" +mp-3236,Pr2SO2,-8.14000553,-3.4216777701,0.0,-0.1127785941,GGA,P-3m1,A2B2C_hP5_164_d_d_a:O-Pr-S,5.0,A2B2C_hP5_164_d_d_a:O-Pr-S +mp-540686,CsPr(SO4)2,-7.0123227412,-2.5520962787,0.0,-0.0367805881,GGA,Pnna,AB8CD2_oP48_52_d_4e_c_e:Cs-O-Pr-S,48.0,AB8CD2_oP48_52_d_4e_c_e:Cs-O-Pr-S +mp-556056,Pr10S14O,-6.8894851968,-2.4628434209,0.0,-0.0005302459,GGA,I4_1/acd,AB10C14_tI200_142_a_f2g_e3g:O-Pr-S,100.0,"Invalid WP multiplicities - AB10C14_tI200_142_a_8f21g_8e29g:O-Pr-S, expected Pr100S132O to be Pr10S14O" +mp-1209756,Pr2(SO4)3,-7.4036859959,-2.6194844873000003,0.0,-0.2261111733,GGA,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Pr-S,34.0,A12B2C3_mC68_15_6f_f_ef:O-Pr-S +mp-9080,CsPrS2,-5.5272101875,-2.0399082223,0.0007049925,-0.1450709794,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Pr-S,4.0,ABC2_hR12_166_a_b_c:Cs-Pr-S +mp-9037,CsPrS2,-5.52791518,-2.0406132148,0.0,-0.1457759719,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Pr-S,8.0,ABC2_hP8_194_c_a_f:Cs-Pr-S +mp-29704,Cs(SO2)2,-5.9424784954,-1.8060417881,0.0060064235,0.0060064235,GGA,P2_1/c,AB4C2_mP56_14_2e_8e_4e:Cs-O-S,56.0,AB4C2_mP56_14_2e_8e_4e:Cs-O-S +mp-1173362,PrSO,-7.47872463,-2.857376519,0.0663242358,0.0386396017,GGA,C2/m,ABC_mC12_12_g_i_i:O-Pr-S,6.0,ABC_mC12_12_g_i_i:O-Pr-S +mp-33690,PrSO,-7.4450775108,-2.8237293998,0.099971355,0.0722867208,GGA,P2_1/c,ABC_mP12_14_e_e_e:O-Pr-S,12.0,ABC_mP12_14_e_e_e:O-Pr-S +mp-774472,PrSO,-7.5450488658,-2.9237007548,0.0,-0.0276846342,GGA,Cmce,ABC_oC24_64_e_d_f:O-Pr-S,12.0,ABC_oC24_64_e_d_f:O-Pr-S +mp-1219736,PrSO,-7.4933207417,-2.8719726306,0.0517281242,0.02404349,GGA,Immm,ABC_oI12_71_e_f_g:O-Pr-S,6.0,ABC_oI12_71_e_f_g:O-Pr-S +mp-1188254,Cs2S5O,-4.2066263444,-0.7791584957000001,0.4116519553,0.4116519553,GGA,P-1,A2BC5_aP16_2_2i_i_5i:Cs-O-S,16.0,A2BC5_aP16_2_2i_i_5i:Cs-O-S +mp-1213923,Cs2S5O12,-5.7161251282,-1.409108359,0.4047104618,0.4047104618,GGA,P2_13,A2B12C5_cP76_198_2a_4b_2ab:Cs-O-S,76.0,A2B12C5_cP76_198_2a_4b_2ab:Cs-O-S +mp-734321,Pr2S3O20,-5.935123602,-1.0989261886,0.6823232628,0.6823232628,GGA,Cc,A20B2C3_mC100_9_20a_2a_3a:O-Pr-S,50.0,A20B2C3_mC100_9_20a_2a_3a:O-Pr-S +mp-1198267,Pr2S3O20,-5.9678960804,-1.131698667,0.6495507844,0.6495507844,GGA,Cc,A20B2C3_mC100_9_20a_2a_3a:O-Pr-S,50.0,A20B2C3_mC100_9_20a_2a_3a:O-Pr-S +mp-1196468,Pr2S3O20,-5.90219147,-1.0659940566,0.7152553948,0.7152553948,GGA,C2/c,A20B2C3_mC100_15_10f_f_ef:O-Pr-S,50.0,A20B2C3_mC100_15_10f_f_ef:O-Pr-S +mp-1197906,Pr2S3O20,-6.0428362162,-1.2066388028,0.5746106486,0.5746106486,GGA,C2/c,A20B2C3_mC100_15_10f_f_ef:O-Pr-S,50.0,A20B2C3_mC100_15_10f_f_ef:O-Pr-S +mp-1196118,Cs5(SO4)4,-6.0040984886,-1.9973052603,0.0,-0.006214386,GGA,Cmcm,A5B16C4_oC100_63_c2f_4f2h_2f:Cs-O-S,50.0,A5B16C4_oC100_63_c2f_4f2h_2f:Cs-O-S +mp-771898,Cs2SO4,-5.8983555211,-2.2249255988,0.0374087282,-0.3521326727,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-S,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_5c4d_c:Cs-O-S, expected Cs5SO13 to be Cs2SO4" +mp-505782,Cs2SO4,-5.9357642493,-2.262334327,0.0,-0.3895414009,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-S,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-O-S +mp-1209354,Pr2SO6,-7.9376081367,-3.1177866206,0.0,-0.0848297112,GGA,C2/c,A6B2C_mC36_15_3f_f_e:O-Pr-S,,A6B2C_mC36_15_3f_f_e:O-Pr-S +mp-2229273,MgIr2(WO6)2,-7.9177507594,-1.7675346768,0.1086039445,0.1086039445,GGA+U,P1,A2BC12D2_aP17_1_2a_a_12a_2a:Ir-Mg-O-W,17.0,A2BC12D2_aP17_1_2a_a_12a_2a:Ir-Mg-O-W +mp-1366998,Mg2W2O5,-7.8696412989,-1.8862786193,0.5045377794,0.5045377794,GGA+U,P2_1,A2B5C2_mP18_4_2a_5a_2a:Mg-O-W,18.0,"Invalid WP multiplicities - A2B5C2_mP18_4_4a_9a_3a:Mg-O-W, expected Mg4(WO3)3 to be Mg2W2O5" +mp-2229060,Mg(WO3)4,-8.8753239253,-2.2404377191,0.0569934437,0.0569934437,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Mg-O-W,17.0,AB12C4_aP17_1_a_12a_4a:Mg-O-W +mp-2228951,Mg(WO3)4,-8.8423511665,-2.2074649603,0.0899662025,0.0899662025,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Mg-O-W,17.0,AB12C4_aP17_1_a_12a_4a:Mg-O-W +mp-2229066,Mg(WO3)4,-8.847177222900001,-2.2122910168,0.085140146,0.085140146,GGA+U,P-4,AB12C4_tP17_81_a_2g2h_2g:Mg-O-W,17.0,"Invalid WP multiplicities - AB12C4_tP17_81_a_4g6h_4g:Mg-O-W, expected Mg(WO4)8 to be Mg(WO3)4" +mp-2232683,Mg(WO3)4,-8.8309389824,-2.1960527762,0.1013783866,0.1013783866,GGA+U,P-42m,AB12C4_tP17_111_a_ef2n_m:Mg-O-W,17.0,"Invalid WP multiplicities - AB12C4_tP17_111_a_2e2f6n_m:Mg-O-W, expected Mg(WO8)4 to be Mg(WO3)4" +mp-2228926,Mg(WO3)4,-8.7932647447,-2.1583785385,0.1390526243,0.1390526243,GGA+U,P4/mmm,AB12C4_tP17_123_b_kln_j:Mg-O-W,17.0,"Invalid WP multiplicities - AB12C4_tP17_123_b_k2l2n_j:Mg-O-W, expected Mg(WO5)4 to be Mg(WO3)4" +mp-2229069,Mg(WO3)4,-8.7841745071,-2.1492883009,0.1481428619,0.1481428619,GGA+U,Im-3,AB12C4_cI34_204_a_g_c:Mg-O-W,17.0,AB12C4_cI34_204_a_g_c:Mg-O-W +mp-755534,Mg3WO6,-7.469033363,-2.7251230982,0.0374197205,0.0374197205,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Mg-O-W,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_2a2e_9e_b:Mg-O-W, expected Mg6WO18 to be Mg3WO6" +mp-768489,Mg3WO6,-7.4716315556,-2.7277212909,0.0348215279,0.0348215279,GGA+U,Pa-3,A3B6C_cP80_205_d_2d_c:Mg-O-W,80.0,"Invalid WP multiplicities - A3B6C_cP80_205_d_13d_c:Mg-O-W, expected Mg3WO39 to be Mg3WO6" +mp-1387273,MgWO2,-7.76985227,-1.6569053444,0.6452136712000001,0.6452136712000001,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:Mg-O-W,16.0,AB2C_aP16_1_4a_8a_4a:Mg-O-W +mp-1399030,MgWO2,-7.5841610144,-1.4712140888,0.8309049269000001,0.8309049269000001,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-W,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Mg-O-W, expected Mg2W3O7 to be MgWO2" +mp-1047060,MgWO2,-7.5330625737,-1.4201156481,0.8820033675000001,0.8820033675000001,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-W,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-W, expected Mg2W3O7 to be MgWO2" +mp-1413707,MgWO3,-7.943855864,-2.0641605813,0.397613724,0.397613724,GGA+U,Cm,AB3C_mC10_8_a_ab_a:Mg-O-W,5.0,AB3C_mC10_8_a_ab_a:Mg-O-W +mp-1326513,MgWO3,-8.259686503,-2.3799912203,0.081783085,0.081783085,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Mg-O-W,20.0,AB3C_oP20_62_c_cd_a:Mg-O-W +mp-1392068,Mg2W3O8,-8.3585606923,-2.0779098862,0.2927465738,0.2927465738,GGA+U,C2/m,A2B8C3_mC26_12_i_2ij_ah:Mg-O-W,13.0,A2B8C3_mC26_12_i_2ij_ah:Mg-O-W +mp-1042810,Mg2W3O8,-8.5437911485,-2.2631403423,0.1075161177,0.1075161177,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Mg-O-W,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Mg-O-W, expected Mg2(WO4)3 to be Mg2W3O8" +mp-1344771,Mg2IrWO6,-7.621809863,-2.1540841853,0.1869117293,0.1869117293,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ir-Mg-O-W,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_10e_b:Ir-Mg-O-W, expected Mg2IrWO20 to be Mg2IrWO6" +mp-1047152,IrWO6,-7.9935863612,-1.5589992766,0.0284840308,0.0284840308,GGA+U,P2_1/c,AB6C_mP16_14_a_3e_d:Ir-O-W,16.0,"Invalid WP multiplicities - AB6C_mP16_14_a_10e_b:Ir-O-W, expected IrWO20 to be IrWO6" +mp-1409379,Mg(WO2)4,-8.9667260385,-1.8123944492,0.3133251904,0.3133251904,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-W,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-W +mp-1044214,Mg(WO2)4,-8.8820080231,-1.7276764338,0.3980432058,0.3980432058,GGA+U,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-O-W,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-O-W, expected Mg(W2O7)2 to be Mg(WO2)4" +mp-609151,MgWO4,-8.2655141417,-2.5413199542,0.0268912108,-0.051779314,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mg-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_4g_f:Mg-O-W, expected MgWO8 to be MgWO4" +mp-18875,MgWO4,-8.2924053525,-2.568211165,0.0,-0.0786705248,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mg-O-W,12.0,AB4C_mP12_13_e_2g_f:Mg-O-W +mp-608385,MgWO4,-8.164467525,-2.4402733375,0.1279378275,0.0492673027,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mg-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_4g_f:Mg-O-W, expected MgWO8 to be MgWO4" +mp-1048061,MgW4O9,-8.7911692946,-1.7945264824,0.3976611887,0.3976611887,GGA+U,P4/n,AB9C4_tP28_85_c_a2g_g:Mg-O-W,28.0,AB9C4_tP28_85_c_a2g_g:Mg-O-W +mp-1399005,MgW2O5,-8.5580687731,-2.0268207648,0.2813716191,0.2813716191,GGA+U,P1,AB5C2_aP16_1_2a_10a_4a:Mg-O-W,16.0,AB5C2_aP16_1_2a_10a_4a:Mg-O-W +mp-1043241,MgW2O5,-8.4579976312,-1.926749623,0.3814427609,0.3814427609,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-W,16.0,AB5C2_oC32_63_c_c2f_f:Mg-O-W +mp-1202763,MgWO6,-7.0661663559,-1.5363485375,0.3898098362,0.3898098362,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Mg-O-W,32.0,AB6C_mP32_14_e_6e_e:Mg-O-W +mp-1042288,MgW2O7,-8.383651002,-2.1693148531,0.2483377766,0.2483377766,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Mg-O-W,20.0,AB7C2_mP20_4_a_7a_2a:Mg-O-W +mp-1099244,Mg3WO4,-6.84110617,-2.1478905169,0.5301891406,0.5301891406,GGA+U,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-W,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-W, expected Mg3WO7 to be Mg3WO4" +mp-1041391,Mg(WO2)2,-8.6031427269,-1.8455291048,0.355794751,0.355794751,GGA+U,P1,AB4C2_aP42_1_6a_24a_12a:Mg-O-W,42.0,AB4C2_aP42_1_6a_24a_12a:Mg-O-W +mp-1360492,Mg(WO2)2,-8.5635912438,-1.8059776217,0.395346234,0.395346234,GGA+U,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-W,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Mg-O-W, expected Mg(WO2)3 to be Mg(WO2)2" +mp-1363225,Mg(WO2)2,-8.5333541884,-1.7757405662,0.4255832895,0.4255832895,GGA+U,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Mg-O-W,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Mg-O-W, expected Mg4W11O24 to be Mg(WO2)2" +mp-1041093,Mg(WO2)2,-8.6340103362,-1.876396714,0.3249271417,0.3249271417,GGA+U,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-W,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a11b_6a6b:Mg-O-W, expected Mg3W9O17 to be Mg(WO2)2" +mp-1042571,Mg(WO2)2,-8.5178812979,-1.7602676757,0.44105618,0.44105618,GGA+U,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-W,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-W, expected MgW3O7 to be Mg(WO2)2" +mp-1397178,Mg(WO2)2,-8.3400401571,-1.5824265350000002,0.6188973207,0.6188973207,GGA+U,Pbcm,AB4C2_oP28_57_d_cde_e:Mg-O-W,28.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_3a3c5f_f:Mg-O-W, expected Mg(WO8)2 to be Mg(WO2)2" +mp-1042087,Mg(WO2)2,-8.4873010646,-1.7296874425,0.4716364132,0.4716364132,GGA+U,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Mg-O-W,28.0,AB4C2_oP28_59_ab_2eg_ce:Mg-O-W +mp-1047237,Mg(WO2)2,-8.5487525296,-1.7911389075000002,0.4101849482,0.4101849482,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-W,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-W +mp-1047644,Mg(WO2)2,-8.5496652207,-1.7920515986,0.4092722571,0.4092722571,GGA+U,Cmcm,AB4C2_oC28_63_c_acf_f:Mg-O-W,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_2a2c3f_f:Mg-O-W, expected Mg(WO5)2 to be Mg(WO2)2" +mp-1041947,Mg(WO2)2,-8.4722525564,-1.7146389343,0.4866849214,0.4866849214,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Mg-O-W,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Mg-O-W, expected Mg(WO5)2 to be Mg(WO2)2" +mp-1048882,Mg(WO2)2,-8.456919155,-1.6993055329,0.5020183229,0.5020183229,GGA+U,R3m,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-W,14.0,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-W +mp-1046915,Mg(WO2)2,-8.6697489471,-1.912135325,0.2891885307,0.2891885307,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-W,14.0,AB4C2_cF56_227_a_e_d:Mg-O-W +mp-1210762,MgWO5,-7.4869662636,-1.873844287,0.3274795687,0.3274795687,GGA+U,P-1,AB5C_aP14_2_i_5i_i:Mg-O-W,14.0,AB5C_aP14_2_i_5i_i:Mg-O-W +mp-1046047,Mg2W9O13,-8.8888479304,-1.2167360381,0.7040928947,0.7040928947,GGA+U,P-1,A2B13C9_aP24_2_i_a6i_b4i:Mg-O-W,24.0,A2B13C9_aP24_2_i_a6i_b4i:Mg-O-W +mp-1045742,Mg(WO3)2,-8.6404296561,-2.2852437919,0.1060685583,0.1060685583,GGA+U,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Mg-O-W,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_2a3b_b:Mg-O-W, expected Mg(WO4)2 to be Mg(WO3)2" +mp-2217078,Mg(WO3)2,-8.4160407644,-2.0608549003,0.33045745,0.33045745,GGA+U,P4/mmm,AB6C2_tP9_123_c_abi_g:Mg-O-W,9.0,AB6C2_tP9_123_c_abi_g:Mg-O-W +mp-1043583,Mg(W2O3)2,-8.7500475918,-1.1943263884,0.7622018982000001,0.7622018982000001,GGA+U,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Mg-O-W,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Mg-O-W, expected Mg(W2O)6 to be Mg(W2O3)2" +mp-2647164,MgCO3,-7.2684491532,-2.1346468179,0.3146486568,0.2087151065,GGA,C2/m,ABC3_mC60_12_ij_g2i_3i3j:C-Mg-O,60.0,ABC3_mC60_12_ij_g2i_3i3j:C-Mg-O +mp-546079,MgCO3,-7.205036177,-2.0712338417,0.378061633,0.2721280827,GGA,C222_1,ABC3_oC20_20_b_a_ac:C-Mg-O,10.0,"Invalid WP multiplicities - ABC3_oC20_20_b_a_2a3c:C-Mg-O, expected MgCO8 to be MgCO3" +mp-5348,MgCO3,-7.58309781,-2.4492954747,0.0,-0.1059335503,GGA,R-3c,ABC3_hR30_167_a_b_e:C-Mg-O,10.0,ABC3_hR30_167_a_b_e:C-Mg-O +mp-1210910,Mg5(C2O9)2,-6.6298636965,-1.6685133623,0.3720047893,0.3720047893,GGA,P2_1/c,A4B5C18_mP54_14_2e_a2e_9e:C-Mg-O,54.0,A4B5C18_mP54_14_2e_a2e_9e:C-Mg-O +mp-1204170,Mg5(C2O9)2,-6.6337666857,-1.6724163516,0.3681018,0.3681018,GGA,Cmce,A4B5C18_oC108_64_ef_ag_e2f3g:C-Mg-O,54.0,A4B5C18_oC108_64_ef_ag_e2f3g:C-Mg-O +mp-1033209,HfMg6CO8,-6.6582015725,-2.3856362905,0.6587675409,0.6587675409,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Hf-Mg-O, expected HfMg6CO12 to be HfMg6CO8" +mp-1033280,HfMg6CO8,-6.6642238544,-2.3916585723,0.6527452591,0.6527452591,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Hf-Mg-O, expected HfMg6CO12 to be HfMg6CO8" +mp-1200429,Mg2CO5,-6.67743354,-2.0320998964,0.2622198502,0.2622198502,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:C-Mg-O,32.0,AB2C5_mP32_14_e_2e_5e:C-Mg-O +mp-995196,CO3,-4.27140468,1.7457782266,3.0735361753,3.0735361753,GGA,P4/mmm,AB3_tP4_123_a_de:C-O,4.0,AB3_tP4_123_a_de:C-O +mp-995198,CO2,-7.8257613483,-1.4517470433000002,0.3185968883,-0.9260693106,GGA,P2_1/c,AB2_mP12_14_e_2e:C-O,12.0,AB2_mP12_14_e_2e:C-O +mp-1190685,CO2,-7.6338576158,-1.2598433108,0.5105006208,-0.7341655781,GGA,P2_12_12_1,AB2_oP24_19_2a_4a:C-O,24.0,AB2_oP24_19_2a_4a:C-O +mp-729728,CO2,-8.1263962725,-1.7523819675,0.0179619642,-1.2267042348,GGA,Pna2_1,AB2_oP12_33_a_2a:C-O,12.0,AB2_oP12_33_a_2a:C-O +mp-556034,CO2,-8.1291098817,-1.7550955767,0.015248355,-1.2294178439,GGA,Pbcn,AB2_oP12_60_c_d:C-O,12.0,AB2_oP12_60_c_d:C-O +mp-1077906,CO2,-8.1132689267,-1.7392546217,0.03108931,-1.2135768889,GGA,Cmce,AB2_oC12_64_a_f:C-O,6.0,AB2_oC12_64_a_f:C-O +mp-995224,CO2,-7.84689325,-1.4728789450000002,0.2974649867,-0.9472012123,GGA,I4_1/a,AB2_tI48_88_f_2f:C-O,24.0,AB2_tI48_88_f_2f:C-O +mp-1102227,CO2,-8.1275466583,-1.7535323533,0.0168115783,-1.2278546206,GGA,P4_12_12,AB2_tP12_92_a_b:C-O,12.0,AB2_tP12_92_a_b:C-O +mp-1077316,CO2,-7.6947683917,-1.3207540867,0.449589845,-0.7950763539,GGA,I-42d,AB2_tI12_122_a_d:C-O,6.0,AB2_tI12_122_a_d:C-O +mp-644607,CO2,-8.13337524,-1.759360935,0.0109829967,-1.2336832023,GGA,P4_2/mnm,AB2_tP6_136_a_f:C-O,6.0,AB2_tP6_136_a_f:C-O +mp-11725,CO2,-8.1374133967,-1.7633990917,0.00694484,-1.2377213589,GGA,P4_2/mnm,AB2_tP6_136_a_f:C-O,6.0,AB2_tP6_136_a_f:C-O +mp-1190699,CO2,-8.1356985125,-1.7616842075,0.0086597242,-1.2360064748,GGA,R-3c,AB2_hR72_167_be_cf:C-O,24.0,AB2_hR72_167_be_cf:C-O +mp-20066,CO2,-8.1443582367,-1.7703439317,0.0,-1.2446661989,GGA,Pa-3,AB2_cP12_205_a_c:C-O,12.0,AB2_cP12_205_a_c:C-O +mp-1195874,MgCO6,-5.9270795616,-0.8634448353,0.6673648364,0.6673648364,GGA,P2_1/c,ABC6_mP32_14_e_e_6e:C-Mg-O,32.0,ABC6_mP32_14_e_e_6e:C-Mg-O +mp-1198523,MgCO6,-6.1680281256,-1.1043933994,0.4264162723,0.4264162723,GGA,P2_1/c,ABC6_mP32_14_e_e_6e:C-Mg-O,32.0,ABC6_mP32_14_e_e_6e:C-Mg-O +mp-729933,CO,-7.746192885,-0.6585157831,0.6692421656,0.6692421656,GGA,P2_12_12_1,AB_oP8_19_a_a:C-O,8.0,AB_oP8_19_a_a:C-O +mp-995183,CO,-7.8665868025,-0.7789097006,0.5488482481,0.5488482481,GGA,Pnma,AB_oP8_62_c_c:C-O,8.0,AB_oP8_62_c_c:C-O +mp-556660,CO,-7.7387156444,-0.6510385425,0.6767194063,0.6767194063,GGA,R3c,AB_hR48_161_ab_ab:C-O,16.0,AB_hR48_161_2a2b_2a2b:C-O +mp-11875,CO,-7.7542067088,-0.6665296069000001,0.6612283419,0.6612283419,GGA,P2_13,AB_cP8_198_a_a:C-O,8.0,AB_cP8_198_a_a:C-O +mp-1033660,HfMg14CO16,-6.4851097278,-2.7120848965,0.3371371689,0.3371371689,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Hf-Mg-O, expected HfMg18CO20 to be HfMg14CO16" +mp-1033673,HfMg14CO16,-6.4796577503,-2.706632919,0.3425891464,0.3425891464,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Hf-Mg-O, expected HfMg30CO32 to be HfMg14CO16" +mp-561848,C3O2,-8.0690854837,-0.5532107037,0.5089956553,0.5089956553,GGA,Pnma,A3B2_oP40_62_a3cd_2cd:C-O,40.0,"Invalid WP multiplicities - A3B2_oP40_62_4a9c5d_7c5d:C-O, expected C23O17 to be C3O2" +mp-1038333,HfMg30CO32,-6.4007272597,-2.8774726537,0.1741585287,0.1741585287,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Hf-Mg-O, expected HfMg90CO80 to be HfMg30CO32" +mp-1038368,HfMg30CO32,-6.4047719662,-2.8815173603,0.1701138221,0.1701138221,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Hf-Mg-O, expected HfMg110CO72 to be HfMg30CO32" +mp-1026630,HfMg14C,-2.35386795,0.2454930014,0.3689798301,0.3689798301,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Hf-Mg, expected HfMg18C to be HfMg14C" +mp-1026419,HfMg14C,-2.2883825356,0.3109784158,0.4344652445,0.4344652445,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Hf-Mg, expected HfMg26C to be HfMg14C" +mp-1001608,C4O3,-6.6460931356,0.7474394507000001,1.8855176924,1.8855176924,GGA,P1,A4B3_aP84_1_48a_36a:C-O,84.0,A4B3_aP84_1_48a_36a:C-O +mp-1001594,C4O3,-8.2946944138,-0.9011618276,0.2369164142,0.2369164142,GGA,R3,A4B3_hR252_146_16b_12b:C-O,84.0,A4B3_hR252_146_16b_12b:C-O +mp-1197923,C61O2,-8.8101209584,0.2826087633,0.3669108552,0.3669108552,GGA,P2_1/c,A61B2_mP126_14_a30e_e:C-O,126.0,A61B2_mP126_14_a30e_e:C-O +mp-728970,Mg(CO3)2,-7.3213153678,-1.7948994453,0.1559349068,0.1559349068,GGA,P2_1/c,A2BC6_mP36_14_2e_ad_6e:C-Mg-O,36.0,A2BC6_mP36_14_2e_ad_6e:C-Mg-O +mp-1105430,Mg(CO3)2,-6.6767144306,-1.1502985081,0.800535844,0.800535844,GGA,C2/c,A2BC6_mC36_15_f_e_3f:C-Mg-O,18.0,A2BC6_mC36_15_f_e_3f:C-Mg-O +mp-1099248,Mg3CO4,-6.0446728662,-1.8176403053,0.8565397177,0.8565397177,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:C-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:C-Mg-O, expected Mg3CO7 to be Mg3CO4" +mp-754005,Mg(CO2)2,-7.7358164564,-2.0437641879,0.0850919937,0.0850919937,GGA,P2_1/c,A2BC4_mP14_14_e_a_2e:C-Mg-O,14.0,"Invalid WP multiplicities - A2BC4_mP14_14_e_a_7e:C-Mg-O, expected Mg(CO7)2 to be Mg(CO2)2" +mp-1222237,Mg3C2O7,-7.3103657654,-2.4866164226,0.0634698563,0.0634698563,GGA,I-42m,A2B3C7_tI48_121_i_df_cij:C-Mg-O,24.0,"Invalid WP multiplicities - A2B3C7_tI48_121_i_2d2f_c4i4j:C-Mg-O, expected Mg6C2O25 to be Mg3C2O7" +mp-1017120,HfMg6C,-3.0554207656,0.5430210872,0.7829919623,0.7829919623,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:C-Hf-Mg, expected HfMg12C to be HfMg6C" +mp-1017167,HfMg6C,-3.3715561375,0.2268857153,0.4668565905,0.4668565905,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Hf-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Hf-Mg +mp-1191802,Mg(C2O3)2,-6.9039670045,-0.7044147966000001,1.1331329367,1.1331329367,GGA,C2/c,A4BC6_mC44_15_2f_c_3f:C-Mg-O,22.0,A4BC6_mC44_15_2f_a_3f:C-Mg-O +mp-1180641,NdSi6(C6N)3,-7.7423970275,0.4163715172,0.7767880657,0.7767880657,GGA,C2/c,A18B3CD6_mC112_15_9f_ef_e_3f:C-N-Nd-Si,56.0,"Invalid WP multiplicities - A18B3CD6_mC112_15_36f_2e2f_e_12f:C-N-Nd-Si, expected NdSi24(C12N)6 to be NdSi6(C6N)3" +mp-1209901,NdSi3N5,-8.4003380483,-1.4307184764,0.0093477972,0.0093477972,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:N-Nd-Si,36.0,A5BC3_oP36_19_5a_a_3a:N-Nd-Si +mp-8003,SiCN,-6.2322911,1.4312017158,2.223260222,2.223260222,GGA,F-43m,ABC_cF12_216_a_b_c:C-N-Si,3.0,ABC_cF12_216_a_b_c:C-N-Si +mp-31320,Nd(C2N3)3,-8.6441630744,-0.1961259048,0.0,-0.0042523466,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Nd,32.0,"Invalid WP multiplicities - A6B9C_oC64_63_2g2h_cfg2h_c:C-N-Nd, expected NdC12N13 to be Nd(C2N3)3" +mp-30161,Si2CN4,-8.4998070843,-0.8676240482,0.0,-0.0012288411,GGA,Aea2,AB4C2_oC28_41_a_2b_b:C-N-Si,14.0,"Invalid WP multiplicities - AB4C2_oC28_41_a_3b_b:C-N-Si, expected Si2CN6 to be Si2CN4" +mp-1209932,Nd3Si6N11,-8.4171217182,-1.4892319856,0.0,-0.0480865102,GGA,P4bm,A11B3C6_tP40_100_bc2d_ac_cd:N-Nd-Si,40.0,A11B3C6_tP40_100_bc2d_ac_cd:N-Nd-Si +mp-30160,Si(CN2)2,-8.5738920793,-0.3983736914,0.0354383327,0.0354383327,GGA,Pn-3m,A2B4C_cP14_224_b_e_a:C-N-Si,14.0,A2B4C_cP14_224_b_e_a:C-N-Si +mp-1247547,Si7CN10,-8.219030915,-0.9650953065,0.2144037778,0.2144037778,GGA,Pc,AB10C7_mP36_7_a_10a_7a:C-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:C-N-Si +mp-1101003,V18Cu2O45,-8.2047795031,-2.1384762014,0.1058862108,0.1058862108,GGA+U,P1,A2B45C18_aP65_1_2a_45a_18a:Cu-O-V,65.0,A2B45C18_aP65_1_2a_45a_18a:Cu-O-V +mp-863399,V18Cu20O57,-7.3354673386,-1.7833020839,0.0375285761,0.0375285761,GGA+U,P-1,A20B57C18_aP95_2_10i_a28i_9i:Cu-O-V,95.0,"Invalid WP multiplicities - A20B57C18_aP95_2_19i_a54i_17i:Cu-O-V, expected V34Cu38O109 to be V18Cu20O57" +mp-1194512,V2(CuO3)3,-6.8516879843,-1.4955715163,0.0866221612,0.0866221612,GGA+U,P2_1/m,A3B9C2_mP28_11_a2e_5e2f_2e:Cu-O-V,28.0,A3B9C2_mP28_11_a2e_5e2f_2e:Cu-O-V +mp-757160,V6Cu2O15,-8.0762058035,-2.1239370892,0.0367121841,0.0367121841,GGA+U,P-1,A2B15C6_aP23_2_i_a7i_3i:Cu-O-V,23.0,"Invalid WP multiplicities - A2B15C6_aP23_2_i_a13i_5i:Cu-O-V, expected V10Cu2O27 to be V6Cu2O15" +mp-21274,VIn2O5,-7.0655862934,-2.1504966577,0.0285665334,0.0285665334,GGA+U,Pnma,A2B5C_oP32_62_2c_5c_c:In-O-V,32.0,A2B5C_oP32_62_2c_5c_c:In-O-V +mp-1349740,VCuO4,-7.055108324,-1.5601303931,0.1231176161,0.1231176161,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-V,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-V, expected V5(Cu3O13)2 to be VCuO4" +mp-25196,VCuO4,-7.1405430233,-1.6455650925,0.0376829168,0.0376829168,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Cu-O-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2h3i_e:Cu-O-V, expected VCuO10 to be VCuO4" +mp-1207908,V4CuO11,-8.0191313062,-2.0911058829,0.0345668516,0.0345668516,GGA+U,Cm,AB11C4_mC32_8_a_11a_4a:Cu-O-V,16.0,AB11C4_mC32_8_a_11a_4a:Cu-O-V +mp-1208093,V2Cu3O11,-6.3234168075,-1.0184788091,0.3742528829,0.3742528829,GGA+U,C2/m,A3B11C2_mC32_12_ae_d3ij_i:Cu-O-V,16.0,A3B11C2_mC32_12_ce_a3ij_i:Cu-O-V +mp-510657,VCu3O4,-6.4630684087,-1.3170332931,0.0910945156,0.0910945156,GGA+U,I-42m,A3B4C_tI16_121_ad_i_b:Cu-O-V,8.0,"Invalid WP multiplicities - A3B4C_tI16_121_a2d_i_b:Cu-O-V, expected VCu5O4 to be VCu3O4" +mp-773059,V8CuO20,-8.2733419647,-2.2145754318,0.0242873718,0.0242873718,GGA+U,P1,AB20C8_aP87_1_3a_60a_24a:Cu-O-V,87.0,AB20C8_aP87_1_3a_60a_24a:Cu-O-V +mp-772965,V12Cu2O29,-8.2865690174,-2.2247257894,0.0230008015,0.0230008015,GGA+U,P1,A2B29C12_aP86_1_4a_58a_24a:Cu-O-V,86.0,A2B29C12_aP86_1_4a_58a_24a:Cu-O-V +mp-504747,V2Cu3O8,-7.0444679892,-1.6568570785,0.0207051319,0.0207051319,GGA+U,P-1,A3B8C2_aP13_2_ai_4i_i:Cu-O-V,13.0,"Invalid WP multiplicities - A3B8C2_aP13_2_ai_6i_i:Cu-O-V, expected V2(CuO4)3 to be V2Cu3O8" +mp-554748,V2Cu3O8,-7.0383382392,-1.6507273285,0.0268348819,0.0268348819,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Cu-O-V,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_14e_e:Cu-O-V, expected VCu3O14 to be V2Cu3O8" +mp-1192382,V2CuO8,-7.0118987755,-1.3900325482,0.2567170109,0.2567170109,GGA+U,P2/c,AB8C2_mP22_13_a_ef3g_g:Cu-O-V,22.0,AB8C2_mP22_13_a_ef3g_g:Cu-O-V +mp-29507,V6Cu11O26,-6.8871122602,-1.5799351374,0.0293358059,0.0293358059,GGA+U,P-1,A11B26C6_aP43_2_a5i_13i_3i:Cu-O-V,43.0,"Invalid WP multiplicities - A11B26C6_aP43_2_a6i_15i_3i:Cu-O-V, expected V6Cu13O30 to be V6Cu11O26" +mp-758314,V16(CuO8)5,-8.0267742607,-2.0643795243,0.1037821069,0.1037821069,GGA+U,Pm,A5B40C16_mP61_6_2a3b_4a4b16c_8c:Cu-O-V,61.0,"Invalid WP multiplicities - A5B40C16_mP61_6_2a3b_4a4b32c_15c:Cu-O-V, expected V30Cu5O72 to be V16(CuO8)5" +mp-687096,V2Cu2O7,-7.3182520395,-1.7734296342,0.0376109618,0.0327623423,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Cu-O-V,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_2i_14i_2i:Cu-O-V, expected VCuO7 to be V2Cu2O7" +mp-705670,V2Cu2O7,-7.1450646145,-1.6002422092000002,0.2107983868,0.2059497673,GGA+U,C2/c,A2B7C2_mC44_15_f_e3f_f:Cu-O-V,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_2e7f_f:Cu-O-V, expected VCuO8 to be V2Cu2O7" +mp-542860,V2Cu2O7,-7.3558630014,-1.811040596,0.0,-0.0048486195,GGA+U,C2/c,A2B7C2_mC44_15_f_e3f_f:Cu-O-V,22.0,A2B7C2_mC44_15_f_e3f_f:Cu-O-V +mp-757247,V2Cu2O7,-7.3364323314,-1.791609926,0.01943067,0.0145820505,GGA+U,C2/c,A2B7C2_mC44_15_f_e3f_f:Cu-O-V,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_2e11f_f:Cu-O-V, expected VCuO12 to be V2Cu2O7" +mp-505508,V2Cu2O7,-7.3483769182,-1.8035545128,0.0074860832,0.0026374636,GGA+U,Fdd2,A2B7C2_oF88_43_b_a3b_b:Cu-O-V,22.0,"Invalid WP multiplicities - A2B7C2_oF88_43_b_a4b_b:Cu-O-V, expected V2Cu2O9 to be V2Cu2O7" +mp-1217808,V30Cu34O95,-7.320315299,-1.7742421138000002,0.0415782849,0.0415782849,GGA+U,R-3,A34B95C30_hR477_148_2c5f_a2c15f_5f:Cu-O-V,159.0,"Invalid WP multiplicities - A34B95C30_hR477_148_3c29f_a3c85f_28f:Cu-O-V, expected V168Cu180O517 to be V30Cu34O95" +mp-997180,VCuO2,-7.6167450725,-1.8476225319,0.0132203887,0.0132203887,GGA+U,P6_3/mmc,AB2C_hP8_194_c_f_a:Cu-O-V,8.0,AB2C_hP8_194_c_f_a:Cu-O-V +mp-997181,VCuO2,-7.50751943,-1.7383968894,0.1224460312,0.1224460312,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Cu-O-V,4.0,AB2C_hR12_166_a_c_b:Cu-O-V +mp-777235,V5CuO12,-8.2627873306,-2.2139539108,0.0255663453,0.0255663453,GGA+U,C2,AB12C5_mC72_5_c_12c_ab4c:Cu-O-V,36.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_6c_2b4c:Cu-O-V, expected V10CuO12 to be V5CuO12" +mp-505263,VInO4,-7.4688971492,-2.198506375,0.0197160508,-0.0302857054,GGA+U,C2/m,AB4C_mC48_12_gi_2i3j_hi:In-O-V,24.0,AB4C_mC48_12_gi_2i3j_hi:In-O-V +mp-1102003,VInO4,-7.4380693942,-2.16767862,0.0505438058,0.0005420496,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:In-O-V,12.0,AB4C_mP12_13_e_2g_f:In-O-V +mp-22443,VInO4,-7.4886132,-2.2182224258,0.0,-0.0500017563,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:In-O-V,12.0,AB4C_oC24_63_a_fg_c:In-O-V +mp-1367462,V4(CuO4)3,-7.5453288821,-1.8614599966,0.069858535,0.069858535,GGA+U,Im-3,A3B12C4_cI38_204_b_g_c:Cu-O-V,19.0,A3B12C4_cI38_204_b_g_c:Cu-O-V +mp-640894,VInCuO5,-6.9554809723,-1.8719509691,0.0275736227,0.0275736227,GGA+U,P2_1/c,ABC5D_mP64_14_2e_2e_10e_2e:Cu-In-O-V,64.0,"Invalid WP multiplicities - ABC5D_mP64_14_4e_3e_38e_2e:Cu-In-O-V, expected V2In3(Cu2O19)2 to be VInCuO5" +mp-562987,VCuO3,-7.389398718,-1.7847629433,0.081283829,0.081283829,GGA+U,P1,AB3C_aP5_1_a_3a_a:Cu-O-V,5.0,AB3C_aP5_1_a_3a_a:Cu-O-V +mp-2371810,VCuO3,-7.401737222,-1.7971014473,0.068945325,0.068945325,GGA+U,Cm,AB3C_mC10_8_a_3a_a:Cu-O-V,5.0,AB3C_mC10_8_a_3a_a:Cu-O-V +mp-504580,VCuO3,-7.401524406,-1.7968886313,0.069158141,0.069158141,GGA+U,R-3,AB3C_hR30_148_c_f_c:Cu-O-V,10.0,AB3C_hR30_148_c_f_c:Cu-O-V +mp-1105167,VCuO3,-7.3433243035,-1.7386885288,0.1273582435,0.1273582435,GGA+U,Im-3,AB3C_cI40_204_ab_g_c:Cu-O-V,20.0,AB3C_cI40_204_ab_g_c:Cu-O-V +mp-27550,V2(CuO2)5,-6.6622848251,-1.4781240838,0.0267013922,0.0267013922,GGA+U,P2_1/c,A5B10C2_mP68_14_5e_10e_2e:Cu-O-V,68.0,A5B10C2_mP68_14_5e_10e_2e:Cu-O-V +mp-755381,V3CuO8,-7.9749417808,-2.0645722333,0.0541462038,0.0541462038,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Cu-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Cu-O-V +mp-775644,V3CuO8,-7.9504408075,-2.04007126,0.0786471771,0.0786471771,GGA+U,P2_13,AB8C3_cP48_198_a_2a2b_b:Cu-O-V,48.0,"Invalid WP multiplicities - AB8C3_cP48_198_a_8a13b_b:Cu-O-V, expected V3CuO47 to be V3CuO8" +mp-1100992,V12Cu10O33,-7.4648794593,-1.7696127863000002,0.164026236,0.164026236,GGA+U,P1,A10B33C12_aP55_1_10a_33a_12a:Cu-O-V,55.0,A10B33C12_aP55_1_10a_33a_12a:Cu-O-V +mp-758210,V6CuO15,-8.23607789,-2.1995790828,0.023034877,0.023034877,GGA+U,P1,AB15C6_aP44_1_2a_30a_12a:Cu-O-V,44.0,AB15C6_aP44_1_2a_30a_12a:Cu-O-V +mp-1216902,V6CuO15,-8.2360914457,-2.1995926385,0.0230213214,0.0230213214,GGA+U,P-1,AB15C6_aP44_2_i_ad14i_6i:Cu-O-V,44.0,"Invalid WP multiplicities - AB15C6_aP44_2_i_ad28i_12i:Cu-O-V, expected V12CuO29 to be V6CuO15" +mp-690658,V2CuO6,-7.7587103256,-1.9868046503,0.0111119678,0.0104709467,GGA+U,P-1,AB6C2_aP9_2_a_3i_i:Cu-O-V,9.0,AB6C2_aP9_2_a_3i_i:Cu-O-V +mp-2234110,V2CuO6,-7.7698222933,-1.9979166181,0.0,-0.0006410211,GGA+U,P-1,AB6C2_aP9_2_a_3i_i:Cu-O-V,9.0,AB6C2_aP9_2_a_3i_i:Cu-O-V +mp-540757,V2CuO6,-7.7519207233,-1.9800150481,0.01790157,0.0172605489,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Cu-O-V,9.0,AB6C2_mC18_12_a_3i_i:Cu-O-V +mp-1034331,HfMg14VO16,-6.6405257422,-2.8720246428,0.1771974226,0.1771974226,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-V, expected HfMg18VO20 to be HfMg14VO16" +mp-1034283,HfMg14VO16,-6.6404753716,-2.8719742722,0.1772477932,0.1772477932,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-V, expected HfMg30VO32 to be HfMg14VO16" +mp-505679,HfV2O7,-9.1624283477,-2.8872461329,0.0,-0.078096943,GGA+U,Pa-3,AB7C2_cP40_205_a_bd_c:Hf-O-V,40.0,AB7C2_cP40_205_a_bd_c:Hf-O-V +mp-1021680,HfMg6V,-3.3851405356,0.1952063894,0.2099102394,0.2099102394,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-V, expected HfMg12V to be HfMg6V" +mp-1021678,HfMg6V,-3.3506720888,0.2296748362,0.2443786863,0.2443786863,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-V, expected HfMg12V to be HfMg6V" +mp-1036714,HfMg30VO32,-6.4802341398,-2.9592413998,0.0923897825,0.0923897825,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-V, expected HfMg90VO80 to be HfMg30VO32" +mp-1036731,HfMg30VO32,-6.4790415402,-2.9580488002000003,0.0935823822,0.0935823822,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-V, expected HfMg110VO72 to be HfMg30VO32" +mp-1031458,HfMg6VO8,-6.9647284706,-2.7012106525,0.3431931789,0.3431931789,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-V, expected HfMg6VO12 to be HfMg6VO8" +mp-1031480,HfMg6VO8,-7.006891075,-2.7433732569,0.3010305745,0.3010305745,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-V, expected HfMg6VO12 to be HfMg6VO8" +mp-1028300,HfMg14V,-2.48523422,0.1050792675,0.1222337592,0.1222337592,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-V, expected HfMg18V to be HfMg14V" +mp-1028277,HfMg14V,-2.4563780962,0.1339353913,0.1510898829,0.1510898829,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-V, expected HfMg26V to be HfMg14V" +mp-1209088,RbYBeF6,-6.3982131683,-3.8809585177,0.0,-0.0334750739,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Y,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Rb-Y +mp-1111245,K2LiTaI6,-3.5912001250000003,-1.1084304759,0.1794892287,0.1794892287,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Ta +mp-1111158,K3TaI6,-3.54366267,-1.1407454129,0.1988043547,0.1988043547,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Ta,10.0,A6B3C_cF40_225_e_ac_b:I-K-Ta +mp-974464,ReH3,-5.2818572088,0.3738191213,0.3738191213,0.3738191213,GGA,P6_3/mmc,A3B_hP8_194_h_c:H-Re,8.0,A3B_hP8_194_h_c:H-Re +mp-1186895,Re3H,-9.4041525375,0.7774243625,0.7774243625,0.7774243625,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Re,4.0,AB3_cF16_225_a_bc:H-Re +mp-1007637,KNaH2,-2.525471775,-0.2208776924,0.05538761,0.05538761,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:H-K-Na,4.0,A2BC_tP4_123_ad_b_c:H-K-Na +mp-1078554,KNa3H4,-2.5575386888,-0.2264288128,0.0489965463,0.0489965463,GGA,Pm-3m,A4BC3_cP8_221_ac_b_d:H-K-Na,8.0,A4BC3_cP8_221_ac_b_d:H-K-Na +mp-690789,K3ReH6,-3.752229641,-0.1390216114,0.1831313243,0.1831313243,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:H-K-Re,10.0,A6B3C_cF40_225_e_ac_b:H-K-Re +mp-24084,KH,-2.529507685,-0.277945189,0.0,-0.277945189,GGA,Fm-3m,AB_cF8_225_a_b:H-K,2.0,AB_cF8_225_a_b:H-K +mp-1079248,K3NaH4,-2.51918565,-0.2411073607,0.035997885,0.035997885,GGA,Pm-3m,A4B3C_cP8_221_ac_d_b:H-K-Na,8.0,A4B3C_cP8_221_ac_d_b:H-K-Na +mp-707463,KNaReH9,-4.1643356254,-0.3800034729,0.0,-0.1368454893,GGA,Pnma,A9BCD_oP48_62_3c3d_c_c_c:H-K-Na-Re,48.0,A9BCD_oP48_62_3c3d_c_c_c:H-K-Na-Re +mp-1184938,KH3,-1.9905598375,0.8315844330000001,0.9705570275,0.9705570275,GGA,I4/mmm,A3B_tI8_139_ad_b:H-K,4.0,A3B_tI8_139_ad_b:H-K +mp-29877,K2ReH9,-4.1614424522,-0.3947874952,0.0,-0.3021390989,GGA,P-62m,A9B2C_hP36_189_fikl_fg_ad:H-K-Re,36.0,"Invalid WP multiplicities - A9B2C_hP36_189_fik2l_fg_ad:H-K-Re, expected K2ReH13 to be K2ReH9" +mp-1195071,HgP2Xe5F22,-3.5228430876,-1.7440533038,0.0,-0.0128371359,GGA,Pccn,A22BC2D5_oP120_56_11e_c_e_d2e:F-Hg-P-Xe,120.0,A22BC2D5_oP120_56_11e_c_e_d2e:F-Hg-P-Xe +mp-30037,AgIO4,-4.57115749,-0.5557112903,0.0613068059,0.0613068059,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ag-I-O,12.0,ABC4_tI24_88_a_b_f:Ag-I-O +mp-1183027,Ag2IO6,-4.1098241278,-0.0188673918,0.4978986502,0.4978986502,GGA,P-1,A2BC6_aP9_2_i_a_3i:Ag-I-O,9.0,"Invalid WP multiplicities - A2BC6_aP9_2_i_a_6i:Ag-I-O, expected Ag2IO12 to be Ag2IO6" +mp-1079032,Ag2IO6,-4.4943046956,-0.4033479595,0.1134180824,0.1134180824,GGA,R-3,A2BC6_hR27_148_c_a_f:Ag-I-O,9.0,A2BC6_hR27_148_c_a_f:Ag-I-O +mp-1195616,LaAg(IO3)4,-5.3558932985,-1.2990992405,0.0,-0.0087165526,GGA,Cc,AB4CD12_mC144_9_2a_8a_2a_24a:Ag-I-La-O,72.0,AB4CD12_mC144_9_2a_8a_2a_24a:Ag-I-La-O +mp-1203252,Ag2IO5,-4.5149518631,-0.530961624,0.0504001731,0.0504001731,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:Ag-I-O,32.0,A2BC5_mP32_14_2e_e_5e:Ag-I-O +mp-1214931,AgIO2,-3.8649028156,-0.3150778717,0.3725980385,0.3725980385,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ag-I-O,16.0,ABC2_tI32_141_c_d_h:Ag-I-O +mp-554648,Ag5IO6,-4.3002521325,-0.5238955797,0.0079523767,0.0079523767,GGA,R-3c,A5BC6_hR72_167_ce_b_f:Ag-I-O,24.0,"Invalid WP multiplicities - A5BC6_hR72_167_3c4e_b_f:Ag-I-O, expected Ag18IO6 to be Ag5IO6" +mp-27384,AgIO3,-4.555235327,-0.7260376296000001,0.0,-0.0432694452,GGA,Pca2_1,ABC3_oP40_29_2a_2a_6a:Ag-I-O,40.0,ABC3_oP40_29_2a_2a_6a:Ag-I-O +mp-1202188,AgIO3,-4.544292077,-0.7150943796,0.01094325,-0.0323261952,GGA,Pbca,ABC3_oP40_61_c_c_3c:Ag-I-O,40.0,ABC3_oP40_61_c_c_3c:Ag-I-O +mp-849271,AgIO3,-4.5277654535,-0.6985677561,0.0274698735,-0.0157995717,GGA,Pnma,ABC3_oP20_62_a_c_cd:Ag-I-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_2c3d:Ag-I-O, expected AgIO8 to be AgIO3" +mp-1195485,AgI3O8,-4.6692014248,-0.7670210295000001,0.0003751481,-0.0142646458,GGA,Pnc2,AB3C8_oP48_30_ab_ab2c_8c:Ag-I-O,48.0,AB3C8_oP48_30_ab_ab2c_8c:Ag-I-O +mp-1194592,AgI3O8,-4.6695765729000005,-0.7673961776,0.0,-0.014639794,GGA,I-4,AB3C8_tI96_82_ef_ef2g_8g:Ag-I-O,48.0,AB3C8_tI96_82_ef_ef2g_8g:Ag-I-O +mp-13798,K2NaTlF6,-4.439473401,-2.7019893871000003,0.0,-0.007243785,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Tl +mp-1111295,KTlF3,-4.287616187,-2.4461203878,0.0542841867,0.0542841867,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:F-K-Tl,10.0,A3BC_cF40_225_e_c_ab:F-K-Tl +mp-27209,KTlF4,-4.3537852769,-2.5006256163,0.0,-0.0595682701,GGA,P3_1,A4BC_hP36_144_8a_2a_2a:F-K-Tl,36.0,A4BC_hP36_144_8a_2a_2a:F-K-Tl +mp-27525,K3TlF6,-4.4299817918,-2.7137104125,0.0,-0.0389668336,GGA,Pn-3,A6B3C_cP40_201_h_abd_c:F-K-Tl,40.0,A6B3C_cP40_201_h_abd_c:F-K-Tl +mp-1197192,K3TlF6,-4.4258063275,-2.7095349482,0.0041754643,-0.0347913693,GGA,Fd-3,A6B3C_cF320_203_2g_abef_cd:F-K-Tl,80.0,A6B3C_cF320_203_2g_abef_cd:F-K-Tl +mp-1111691,K3TlF6,-4.38249035,-2.6662189707,0.0474914418,0.0085246082,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Tl,10.0,A6B3C_cF40_225_e_ac_b:F-K-Tl +mp-8760,Dy5P12Ru19,-8.2029271556,-0.8638379183,0.0,-0.0746944019,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Dy-P-Ru,36.0,"Invalid WP multiplicities - A5B12C19_hP36_189_cg_2f2k_af2g2jk:Dy-P-Ru, expected Dy5(P9Ru14)2 to be Dy5P12Ru19" +mp-569089,Dy(PRu)2,-7.834502704,-1.0380633173,0.0,-0.0445746457,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Dy-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Dy-P-Ru +mp-1205848,DyPRu2C,-8.237049857,-0.6775378732,0.0,-0.0330668365,GGA,Cmcm,ABCD2_oC20_63_a_c_c_f:C-Dy-P-Ru,10.0,ABCD2_oC20_63_a_c_c_f:C-Dy-P-Ru +mp-20256,K3InP2,-3.1882105233,-0.3699629259,0.0,-0.0360467645,GGA,Ibam,AB3C2_oI24_72_a_bj_j:In-K-P,12.0,"Invalid WP multiplicities - AB3C2_oI24_72_a_2b3j_j:In-K-P, expected K8InP2 to be K3InP2" +mp-1199321,K5In3P6Se19,-4.2157694777,-0.8003398098000001,0.0023131501,0.0023131501,GGA,P-1,A3B5C6D19_aP66_2_3i_5i_6i_19i:In-K-P-Se,66.0,A3B5C6D19_aP66_2_3i_5i_6i_19i:In-K-P-Se +mp-1224505,K6InP3,-2.8948517055,-0.3294532123,0.0,-0.0202824073,GGA,P1,AB6C3_aP20_1_2a_12a_6a:In-K-P,20.0,AB6C3_aP20_1_2a_12a_6a:In-K-P +mp-675132,K6InP3,-2.8915354105,-0.3261369173,0.003316295,-0.0169661123,GGA,P-1,AB6C3_aP20_2_i_6i_3i:In-K-P,20.0,"Invalid WP multiplicities - AB6C3_aP20_2_i_11i_5i:In-K-P, expected K11InP5 to be K6InP3" +mp-581517,K2In(PSe4)2,-4.1775207558,-0.810876259,0.0,-0.0112083895,GGA,Cc,AB2C2D8_mC104_9_2a_4a_4a_16a:In-K-P-Se,52.0,"Invalid WP multiplicities - AB2C2D8_mC104_9_4a_7a_8a_32a:In-K-P-Se, expected K7In4(PSe4)8 to be K2In(PSe4)2" +mp-29947,K3PSe16,-3.9571456605,-0.723191511,0.0,-0.1300281123,GGA,Fd-3,A3BC16_cF160_203_bc_a_eg:K-P-Se,40.0,"Invalid WP multiplicities - A3BC16_cF160_203_2bc_a_e2g:K-P-Se, expected K4PSe28 to be K3PSe16" +mp-569702,KPSe3,-4.2066667578,-0.8043795805,0.0,-0.0082294817,GGA,P3_1,ABC3_hP120_144_8a_8a_24a:K-P-Se,120.0,"Invalid WP multiplicities - ABC3_hP120_144_21a_24a_71a:K-P-Se, expected K21P24Se71 to be KPSe3" +mp-571452,KPSe3,-4.20470316,-0.8024159827,0.0019635978,-0.0062658839,GGA,P3_121,ABC3_hP30_152_c_c_3c:K-P-Se,30.0,"Invalid WP multiplicities - ABC3_hP30_152_c_c_13c:K-P-Se, expected KPSe13 to be KPSe3" +mp-18625,KPSe6,-4.1220111978,-0.6846149079,0.0,-0.0297857778,GGA,Pca2_1,ABC6_oP32_29_a_a_6a:K-P-Se,32.0,ABC6_oP32_29_a_a_6a:K-P-Se +mp-1199715,K2In2P3Se10,-4.2327926303,-0.7667227685,0.0,-0.0067291387,GGA,P2_1/c,A2B2C3D10_mP68_14_2e_2e_3e_10e:In-K-P-Se,68.0,A2B2C3D10_mP68_14_2e_2e_3e_10e:In-K-P-Se +mp-31314,K2PSe3,-4.0766425875,-1.0563367819,0.0,-0.0370974738,GGA,P2_1/c,A2BC3_mP48_14_4e_2e_6e:K-P-Se,48.0,"Invalid WP multiplicities - A2BC3_mP48_14_9e_3e_6e:K-P-Se, expected K3PSe2 to be K2PSe3" +mp-1211816,KIn(PSe3)2,-4.2747844258,-0.7083687701,0.0004794081,0.0004794081,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:In-K-P-Se,40.0,ABC2D6_mP40_14_e_e_2e_6e:In-K-P-Se +mp-31313,K3PSe4,-3.9474882131,-1.1064700558,0.0,-0.0196075175,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:K-P-Se,32.0,A3BC4_oP32_62_cd_c_2cd:K-P-Se +mp-557934,Nb15MoO40F,-9.3136251246,-2.960217175,0.0064146027,0.0064146027,GGA+U,C2,ABC15D40_mC114_5_a_b_a7c_20c:F-Mo-Nb-O,57.0,"Invalid WP multiplicities - ABC15D40_mC114_5_a_b_a12c_40c:F-Mo-Nb-O, expected Nb25MoO80F to be Nb15MoO40F" +mp-685445,Nb20(O13F7)3,-8.5325374591,-3.0939372234,0.0743683139,0.0743683139,GGA,Pmmm,A21B20C39_oP80_47_ci9j_ab9i_def9i9k:F-Nb-O,80.0,"Invalid WP multiplicities - A21B20C39_oP80_47_c2i18j_ab18i_def18i17k:F-Nb-O, expected Nb38O73F41 to be Nb20(O13F7)3" +mp-759636,Nb5O12F,-9.2320399906,-3.0221361737,0.0426924198,0.0426924198,GGA,Pmma,AB5C12_oP36_51_a_e2i_ef3i2j:F-Nb-O,36.0,"Invalid WP multiplicities - AB5C12_oP36_51_a_2e3i_2e2f5i4j:F-Nb-O, expected Nb8O22F to be Nb5O12F" +mp-760188,Nb3O7F,-9.1523317111,-3.0757667051,0.0079711396,0.0079711396,GGA,Pnma,AB3C7_oP44_62_c_cd_c3d:F-Nb-O,44.0,"Invalid WP multiplicities - AB3C7_oP44_62_c_3c2d_3c10d:F-Nb-O, expected Nb7O23F to be Nb3O7F" +mp-760401,Nb3O7F,-9.0974990945,-3.0209340885,0.0628037562,0.0628037562,GGA,Cmmm,AB3C7_oC22_65_c_bg_a2gh:F-Nb-O,11.0,"Invalid WP multiplicities - AB3C7_oC22_65_c_bg_a3g2h:F-Nb-O, expected Nb3O11F to be Nb3O7F" +mp-753459,Nb3O7F,-9.13270924,-3.056144234,0.0275936107,0.0275936107,GGA,Cmmm,AB3C7_oC22_65_a_bg_chp:F-Nb-O,11.0,"Invalid WP multiplicities - AB3C7_oC22_65_a_bg_ch2p:F-Nb-O, expected Nb3O11F to be Nb3O7F" +mp-27511,MoOF4,-6.4138969873,-2.5075212054,0.0,-0.0645849403,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-Mo-O,48.0,A4BC_mP48_14_8e_2e_2e:F-Mo-O +mp-734322,Nb6O15F,-9.1370388516,-2.9225097663,0.0679363191,0.0679363191,GGA,Pmma,AB6C15_oP44_51_f_2e2i_aef4i2j:F-Nb-O,44.0,AB6C15_oP44_51_f_2e2i_aef4i2j:F-Nb-O +mp-756632,NbO2F,-8.5981852592,-3.1216449017,0.0471845733,0.0224762426,GGA,P-1,ABC2_aP24_2_cf2i_3i_abdg4i:F-Nb-O,24.0,"Invalid WP multiplicities - ABC2_aP24_2_cf4i_6i_abdg6i:F-Nb-O, expected Nb6O8F5 to be NbO2F" +mp-752467,NbO2F,-8.6453698325,-3.168829475,0.0,-0.0247083308,GGA,Cc,ABC2_mC16_9_a_a_2a:F-Nb-O,8.0,"Invalid WP multiplicities - ABC2_mC16_9_a_a_4a:F-Nb-O, expected NbO4F to be NbO2F" +mp-39025,NbO2F,-8.5209566725,-3.044416315,0.12441316,0.0997048292,GGA,P2/c,ABC2_mP16_13_g_ab_efg:F-Nb-O,16.0,"Invalid WP multiplicities - ABC2_mP16_13_g_2a2b_2ef4g:F-Nb-O, expected Nb4O11F2 to be NbO2F" +mp-35171,NbO2F,-8.5340868637,-3.0575465062,0.1112829688,0.086574638,GGA,C2/c,ABC2_mC16_15_e_c_f:F-Nb-O,8.0,ABC2_mC16_15_e_a_f:F-Nb-O +mp-766094,NbO2F,-8.5785018644,-3.1019615069,0.0668679681,0.0421596373,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:F-Nb-O,16.0,"Invalid WP multiplicities - ABC2_oP16_19_a_a_5a:F-Nb-O, expected NbO5F to be NbO2F" +mp-752415,NbO2F,-8.583837595,-3.1072972375,0.0615322375,0.0368239067,GGA,Amm2,ABC2_oC16_38_ab_2a_abd:F-Nb-O,8.0,ABC2_oC16_38_ab_2a_abd:F-Nb-O +mp-673845,NbO2F,-8.615379325,-3.1388389675,0.0299905075,0.0052821767,GGA,Imma,ABC2_oI48_74_ah_eh_bcgh:F-Nb-O,24.0,"Invalid WP multiplicities - ABC2_oI48_74_ah_eh_2b2c3g3h:F-Nb-O, expected Nb3O16F3 to be NbO2F" +mp-1220314,NbO2F,-8.539853115,-3.0633127575,0.1055167175,0.0808083867,GGA,P4/mmm,ABC2_tP4_123_a_b_e:F-Nb-O,4.0,ABC2_tP4_123_a_b_e:F-Nb-O +mp-758829,Nb2OF8,-6.9919356266,-3.3154692147,0.0133237957,0.0133237957,GGA,P2/c,A8B2C_mP44_13_ef7g_2g_g:F-Nb-O,44.0,"Invalid WP multiplicities - A8B2C_mP44_13_2e2f27g_3g_g:F-Nb-O, expected Nb3OF29 to be Nb2OF8" +mp-1103792,Nb2O2F3,-8.1789356707,-3.0603036129,0.0007969721,-0.0329139393,GGA,P-1,A3B2C2_aP14_2_3i_2i_2i:F-Nb-O,14.0,A3B2C2_aP14_2_3i_2i_2i:F-Nb-O +mp-1103656,Nb2O2F3,-8.1797326429,-3.061100585,0.0,-0.0337109115,GGA,C2/c,A3B2C2_mC28_15_ef_f_f:F-Nb-O,14.0,A3B2C2_mC28_15_ef_f_f:F-Nb-O +mp-756988,Nb5OF14,-7.1017536745,-2.9910577017,0.1277989558,0.1277989558,GGA,P-1,A14B5C_aP20_2_ef6i_a2i_b:F-Nb-O,20.0,"Invalid WP multiplicities - A14B5C_aP20_2_ef10i_a3i_b:F-Nb-O, expected Nb7OF22 to be Nb5OF14" +mp-752474,NbOF2,-7.7053859475,-2.9876480259,0.1707026946,0.1707026946,GGA,Immm,A2BC_oI8_71_e_c_a:F-Nb-O,4.0,A2BC_oI8_71_e_c_a:F-Nb-O +mp-753800,NbOF3,-7.4396163435,-3.2831302128,0.0113706975,-0.0011765665,GGA,P-1,A3BC_aP20_2_6i_2i_2i:F-Nb-O,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_3i_3i:F-Nb-O, expected Nb3O3F11 to be NbOF3" +mp-753785,NbOF3,-7.417287042,-3.2608009112,0.033699999,0.021152735,GGA,P4_2/mnm,A3BC_tP20_136_fi_g_f:F-Nb-O,20.0,"Invalid WP multiplicities - A3BC_tP20_136_3f2i_g_f:F-Nb-O, expected NbOF7 to be NbOF3" +mp-760762,NbOF3,-7.450987041,-3.2945009103,0.0,-0.012547264,GGA,P2_12_12_1,A3BC_oP20_19_3a_a_a:F-Nb-O,20.0,"Invalid WP multiplicities - A3BC_oP20_19_9a_a_a:F-Nb-O, expected NbOF9 to be NbOF3" +mp-1101450,NbOF3,-7.362589064,-3.2061029332,0.088397977,0.075850713,GGA,Immm,A3BC_oI10_71_af_c_b:F-Nb-O,5.0,"Invalid WP multiplicities - A3BC_oI10_71_a2f_c_b:F-Nb-O, expected NbOF5 to be NbOF3" +mp-762371,NbOF3,-7.3640158265,-3.2075296957,0.0869712145,0.0744239505,GGA,P4_1,A3BC_tP20_76_3a_a_a:F-Nb-O,20.0,"Invalid WP multiplicities - A3BC_tP20_76_11a_a_a:F-Nb-O, expected NbOF11 to be NbOF3" +mp-1094112,NbOF3,-7.243783771,-3.0872976402,0.20720327,0.194656006,GGA,R3c,A3BC_hR30_161_b_a_a:F-Nb-O,10.0,A3BC_hR30_161_b_a_a:F-Nb-O +mp-753532,Nb2O3F2,-8.5850716443,-3.0328381945,0.0282344338,0.0282344338,GGA,P-1,A2B2C3_aP14_2_2i_2i_3i:F-Nb-O,14.0,"Invalid WP multiplicities - A2B2C3_aP14_2_3i_3i_5i:F-Nb-O, expected Nb3O5F3 to be Nb2O3F2" +mp-1220649,Nb3(OF)5,-8.0678567838,-3.0990295905,0.1181350519,0.1181350519,GGA,Immm,A5B3C5_oI26_71_aef_cf_bef:F-Nb-O,13.0,A5B3C5_oI26_71_aef_cf_bef:F-Nb-O +mp-760226,Nb3O2F5,-7.8607576797,-2.8852889418,0.1035416226,0.1035416226,GGA,Pnnm,A5B3C2_oP40_58_e4g_gh_h:F-Nb-O,40.0,"Invalid WP multiplicities - A5B3C2_oP40_58_2e14g_3g2h_h:F-Nb-O, expected Nb7(OF8)2 to be Nb3O2F5" +mp-1079697,SmPRu2C,-8.242699863,-0.6608280202,0.0,-0.0343313885,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Sm,10.0,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Sm +mp-12059,Sm(PRu)2,-7.847579424,-1.0287801783,0.0,-0.0552931881,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Ru-Sm,5.0,A2B2C_tI10_139_e_d_a:P-Ru-Sm +mp-1204042,Sm5P12Ru19,-8.2030630928,-0.8484461757,0.0,-0.0657492836,GGA,P-62m,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Sm,36.0,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Sm +mp-1212131,HoTl(WO4)2,-8.5452037375,-2.5089685569,0.0,-0.0359418326,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Ho-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Ho-O-Tl-W +mp-1019522,Ba2B10O17,-8.3269491878,-2.9915845092,0.002153663,0.002153663,GGA,P-1,A10B2C17_aP58_2_10i_2i_17i:B-Ba-O,58.0,A10B2C17_aP58_2_10i_2i_17i:B-Ba-O +mp-1214634,Ba3Dy(BO2)9,-8.2795259563,-3.1337635563,0.0044396622,0.0044396622,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Dy-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Dy-O +mp-1182856,Ba(BO2)2,-7.5356655733,-2.5264493838,0.5712028038,0.5479406184,GGA,Cc,A2BC4_mC84_9_6a_3a_12a:B-Ba-O,42.0,A2BC4_mC84_9_8a_4a_16a:B-Ba-O +mp-5730,Ba(BO2)2,-8.106410539,-3.0971943495,0.0004578381,-0.0228043473,GGA,R3c,A2BC4_hR126_161_2b_b_4b:B-Ba-O,42.0,A2BC4_hR126_161_2b_b_4b:B-Ba-O +mp-540659,Ba(BO2)2,-8.1068683771,-3.0976521876,0.0,-0.0232621854,GGA,R-3c,A2BC4_hR126_167_f_ac_2f:B-Ba-O,42.0,A2BC4_hR126_167_f_ac_2f:B-Ba-O +mp-1214407,BaBO3,-6.262393088,-1.5747065191,1.2537079677,1.2537079677,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ba-O,5.0,ABC3_cP5_221_b_a_c:B-Ba-O +mp-728866,Ba(BO2)5,-7.6775062594,-2.3785799527,0.3344952658,0.3344952658,GGA,P-1,A5BC10_aP32_2_5i_i_10i:B-Ba-O,32.0,A5BC10_aP32_2_5i_i_10i:B-Ba-O +mp-1204604,Ba(BO2)5,-7.8560831344,-2.5571568277,0.1559183908,0.1559183908,GGA,P-1,A5BC10_aP32_2_5i_i_10i:B-Ba-O,32.0,A5BC10_aP32_2_5i_i_10i:B-Ba-O +mp-1201084,Ba(BO4)2,-6.2652237374,-1.2787448127,0.6924883976,0.6924883976,GGA,P2_1/c,A2BC8_mP88_14_4e_2e_16e:B-Ba-O,88.0,A2BC8_mP88_14_4e_2e_16e:B-Ba-O +mp-3974,Ba5B4O11,-7.6878004451,-3.1514995648,0.0,-0.0041109969,GGA,P2_12_12_1,A4B5C11_oP240_19_12a_15a_33a:B-Ba-O,240.0,A4B5C11_oP240_19_12a_15a_33a:B-Ba-O +mp-753413,Ba2B2O5,-7.7956844889,-3.1367759358,0.0054983422,0.0007631979,GGA,P-1,A2B2C5_aP18_2_2i_2i_5i:B-Ba-O,18.0,"Invalid WP multiplicities - A2B2C5_aP18_2_3i_3i_9i:B-Ba-O, expected BaBO3 to be Ba2B2O5" +mp-771158,Ba2B2O5,-7.8011828311,-3.142274278,0.0,-0.0047351444,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Ba-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_5e_5e_17e:B-Ba-O, expected Ba5B5O17 to be Ba2B2O5" +mp-771174,Ba2B2O5,-7.789808405,-3.1308998519,0.0113744261,0.0066392818,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Ba-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_3e_3e_15e:B-Ba-O, expected BaBO5 to be Ba2B2O5" +mp-768345,Ba2B2O5,-7.7943950639,-3.1354865108,0.0067877672,0.0020526229,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Ba-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_5e_5e_18e:B-Ba-O, expected Ba5B5O18 to be Ba2B2O5" +mp-1214848,Ba3Dy(BO3)3,-7.9847721168,-3.3021417809,0.0,-0.0242158852,GGA,P6_3cm,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Dy-O,96.0,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Dy-O +mp-1198603,Ba2B5O11,-7.8008717004,-2.709289225,0.1055001496,0.1055001496,GGA,P2_1/c,A5B2C11_mP72_14_5e_2e_11e:B-Ba-O,72.0,A5B2C11_mP72_14_5e_2e_11e:B-Ba-O +mp-779608,Ba3(BO3)2,-7.53806828,-3.1020827683,0.0494902186,0.0196694592,GGA,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Ba-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_2af_3g2h:B-Ba-O, expected Ba2BO7 to be Ba3(BO3)2" +mp-755417,Ba3(BO3)2,-7.5875584986,-3.1515729869,0.0,-0.0298207594,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-Ba-O,22.0,A2B3C6_hR66_167_c_e_f:B-Ba-O +mp-27692,BaB4O7,-8.2954237122,-3.0234767953,0.0,-0.0112680154,GGA,P2_1/c,A4BC7_mP96_14_8e_2e_14e:B-Ba-O,96.0,"Invalid WP multiplicities - A4BC7_mP96_14_9e_2e_18e:B-Ba-O, expected Ba2(BO2)9 to be BaB4O7" +mp-556974,BaB4O7,-8.2667891071,-2.9948421902,0.0286346051,0.0173665897,GGA,Pnma,A4BC7_oP48_62_2d_c_c3d:B-Ba-O,48.0,"Invalid WP multiplicities - A4BC7_oP48_62_9d_c_2c16d:B-Ba-O, expected Ba(B9O17)2 to be BaB4O7" +mp-1196854,BaB2O9,-6.0107229519,-1.0275598783,0.7794038978000001,0.7794038978000001,GGA,P2_1/c,A2BC9_mP48_14_2e_e_9e:B-Ba-O,48.0,A2BC9_mP48_14_2e_e_9e:B-Ba-O +mp-27794,BaB8O13,-8.3842141685,-2.9450749707,0.0,-0.019205742,GGA,P4_122,A8BC13_tP88_91_2c3d_a_c6d:B-Ba-O,88.0,A8BC13_tP88_91_2c3d_a_c6d:B-Ba-O +mp-1192576,ErWBrO4,-8.2347343329,-2.6825011593,0.0436673056,0.0436673056,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Er-O-W,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Er-O-W +mp-774146,W(BrO)2,-6.764397871,-1.5728850085,0.0657551852,0.0657551852,GGA+U,Pmc2_1,A2B2C_oP10_26_c_2a_a:Br-O-W,10.0,"Invalid WP multiplicities - A2B2C_oP10_26_c_4a_a:Br-O-W, expected W(BrO2)2 to be W(BrO)2" +mp-755140,W(BrO)2,-6.751215547,-1.5597026845,0.0789375092,0.0789375092,GGA+U,Pmc2_1,A2B2C_oP10_26_c_2a_a:Br-O-W,10.0,"Invalid WP multiplicities - A2B2C_oP10_26_c_4a_a:Br-O-W, expected W(BrO2)2 to be W(BrO)2" +mp-1119334,W(BrO)2,-6.765773531,-1.5742606685,0.0643795252,0.0643795252,GGA+U,Pmma,A2B2C_oP10_51_k_ae_e:Br-O-W,10.0,A2B2C_tP5_123_g_e_b:Br-O-W +mp-2459381,W(BrO)2,-6.769261357,-1.5777484945,0.0608916992,0.0608916992,GGA+U,P4/mmm,A2B2C_tP5_123_g_e_b:Br-O-W,10.0,A2B2C_tP5_123_g_e_b:Br-O-W +mp-28260,WBr4O,-5.1302352833,-1.1107465731,0.1591105317,0.1591105317,GGA+U,I4,A4BC_tI12_79_c_a_a:Br-O-W,6.0,A4BC_tI12_79_c_a_a:Br-O-W +mp-32536,WBr4O,-5.1406278567,-1.1211391465,0.1487179584,0.1487179584,GGA+U,I4/m,A4BC_tI12_87_h_a_b:Br-O-W,6.0,A4BC_tI12_87_h_a_b:Br-O-W +mp-1211233,LiDy6B3O14,-8.5561466792,-3.6044191301,0.0,-0.0039106844,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Dy-Li-O,96.0,A3B6CD14_mP96_14_3e_6e_e_14e:B-Dy-Li-O +mp-16828,Li3B7O12,-7.9015793459,-2.8178168218,0.0,-0.0084546596,GGA,P-1,A7B3C12_aP44_2_7i_3i_12i:B-Li-O,44.0,A7B3C12_aP44_2_7i_3i_12i:B-Li-O +mp-3635,LiBO2,-7.3590497031,-2.7386266881,0.0,-0.0100743621,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:B-Li-O,16.0,ABC2_mP16_14_e_e_2e:B-Li-O +mp-14232,LiBO2,-7.3514966412,-2.7310736262,0.0075530619,-0.0025213002,GGA,I-42d,ABC2_tI16_122_a_b_d:B-Li-O,8.0,ABC2_tI16_122_a_b_d:B-Li-O +mp-1211209,LiBO4,-6.0449873598,-1.3158091127,0.5180214482000001,0.5180214482000001,GGA,Pbca,ABC4_oP48_61_c_c_4c:B-Li-O,48.0,ABC4_oP48_61_c_c_4c:B-Li-O +mp-755346,Li5BO4,-5.9557298105,-2.3546537156,0.0531440365,0.0531440365,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:B-Li-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:B-Li-O, expected Li14BO10 to be Li5BO4" +mp-768966,Li5BO4,-5.9166584615,-2.3155823666,0.0922153855,0.0922153855,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:B-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:B-Li-O, expected Li17BO13 to be Li5BO4" +mp-768960,Li5BO4,-5.9620252431,-2.3609491482,0.0468486039,0.0468486039,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:B-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:B-Li-O, expected Li17BO13 to be Li5BO4" +mp-768967,Li5BO4,-5.94917335,-2.3480972551,0.059700497,0.059700497,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:B-Li-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:B-Li-O, expected Li17BO13 to be Li5BO4" +mp-1020014,Li3B11O18,-8.0758220247,-2.8183071846,0.0,-0.0064269677,GGA,P2_1/c,A11B3C18_mP128_14_11e_3e_18e:B-Li-O,128.0,A11B3C18_mP128_14_11e_3e_18e:B-Li-O +mp-1185302,LiBO3,-5.925629018,-1.2399528638,0.9557961481,0.9557961481,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Li-O,5.0,ABC3_cP5_221_b_a_c:B-Li-O +mp-768875,Li6B4O9,-6.9649715674,-2.6127977419,0.0629745271,0.0585407709,GGA,P-1,A4B6C9_aP38_2_4i_6i_9i:B-Li-O,38.0,"Invalid WP multiplicities - A4B6C9_aP38_2_7i_11i_17i:B-Li-O, expected Li11B7O17 to be Li6B4O9" +mp-1020024,Li6B4O9,-7.0279460945,-2.6757722690000003,0.0,-0.0044337562,GGA,P2_1/c,A4B6C9_mP76_14_4e_6e_9e:B-Li-O,76.0,A4B6C9_mP76_14_4e_6e_9e:B-Li-O +mp-768890,Li4B2O5,-6.7124425559,-2.55535905,0.0695953767,0.0695953767,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:B-Li-O,22.0,"Invalid WP multiplicities - A2B4C5_aP22_2_3i_7i_9i:B-Li-O, expected Li7(BO3)3 to be Li4B2O5" +mp-768884,Li4B2O5,-6.7396649659,-2.58258146,0.0423729667,0.0423729667,GGA,C2/c,A2B4C5_mC44_15_f_2f_e2f:B-Li-O,22.0,"Invalid WP multiplicities - A2B4C5_mC44_15_f_7f_2e5f:B-Li-O, expected Li7BO6 to be Li4B2O5" +mp-4779,Li2B4O7,-7.8181719321,-2.8056924094,0.0,-5.8685100000000005e-05,GGA,I4_1cd,A4B2C7_tI104_110_2b_b_a3b:B-Li-O,52.0,A4B2C7_tI104_110_2b_b_a3b:B-Li-O +mp-560463,Li2B4O7,-7.5084798844,-2.4960003617,0.3096920477,0.3096333626,GGA,I4_1cd,A4B2C7_tI104_110_2b_b_a3b:B-Li-O,52.0,"Invalid WP multiplicities - A4B2C7_tI104_110_9b_b_4a22b:B-Li-O, expected Li(B3O8)3 to be Li2B4O7" +mp-675734,Li7B18O,-5.7409341388,-0.412541806,0.0328670514,0.0328670514,GGA,Pm,A18B7C_mP26_6_12a3c_a6b_b:B-Li-O,26.0,"Invalid WP multiplicities - A18B7C_mP26_6_12a5c_a6b_b:B-Li-O, expected Li7B22O to be Li7B18O" +mp-2468835,Li7B18O,-5.7444709762,-0.4160786433,0.0293302141,0.0293302141,GGA,P2/m,A18B7C_mP26_10_jkl6m_a3n_b:B-Li-O,26.0,"Invalid WP multiplicities - A18B7C_mP26_10_2jk2l12m_a6n_b:B-Li-O, expected Li13B34O to be Li7B18O" +mp-1203033,Li3B8O15,-7.6602521552,-2.5309354846,0.124465863,0.124465863,GGA,P-62c,A8B3C15_hP104_190_bh2i_gh_2h4i:B-Li-O,104.0,A8B3C15_hP104_190_bh2i_gh_2h4i:B-Li-O +mp-1098011,LiB2O3,-6.975131576,-1.9571694857,0.6859058024,0.6859058024,GGA,I4_1cd,A2BC3_tI96_110_2b_b_3b:B-Li-O,48.0,A2BC3_tI96_110_2b_b_3b:B-Li-O +mp-1200259,LiB2O3,-7.1083465237,-2.0903844334,0.5526908547,0.5526908547,GGA,I4_1cd,A2BC3_tI96_110_2b_b_3b:B-Li-O,48.0,A2BC3_tI96_110_2b_b_3b:B-Li-O +mp-1180610,LiB5O13,-6.7896159508,-1.546835163,0.5263933768,0.5263933768,GGA,C2/c,A5BC13_mC152_15_5f_2e_13f:B-Li-O,76.0,A5BC13_mC152_15_5f_2e_13f:B-Li-O +mp-768921,Li8B2O7,-6.1230722859,-2.4020730239,0.0667439765,0.0667439765,GGA,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:B-Li-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:B-Li-O, expected Li31(BO9)3 to be Li8B2O7" +mp-685320,Li20B54O,-5.6494975996,-0.2653335773,0.0447181605,0.0447181605,GGA,P1,A54B20C_aP75_1_54a_20a_a:B-Li-O,75.0,A54B20C_aP75_1_54a_20a_a:B-Li-O +mp-27275,Li3BO3,-6.4483054271,-2.5559873551,0.0,-0.0729639355,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:B-Li-O,28.0,AB3C3_mP28_14_e_3e_3e:B-Li-O +mp-3660,LiB3O5,-7.9982657969,-2.8115389375,0.0065684697,0.0065684697,GGA,Pna2_1,A3BC5_oP36_33_3a_a_5a:B-Li-O,36.0,A3BC5_oP36_33_3a_a_5a:B-Li-O +mp-1020025,LiB3O5,-7.9597444564,-2.7730175969,0.0450898103,0.0450898103,GGA,Pnma,A3BC5_oP144_62_6d_4c_6c7d:B-Li-O,144.0,A3BC5_oP144_62_6d_4c_6c7d:B-Li-O +mp-752508,Cs2WO4,-7.1901553721,-2.256485398,0.0,-0.3945759161,GGA+U,C2/m,A2B4C_mC28_12_2i_2ij_i:Cs-O-W,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_4ij_i:Cs-O-W, expected Cs3WO6 to be Cs2WO4" +mp-1193656,Cs2WO4,-7.1896422525,-2.2559722783,0.0005131196,-0.3940627964,GGA+U,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-W,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-O-W +mp-1227596,Cs2(WO4)3,-7.6516571124,-1.7678065259,0.1927767918,0.1927767918,GGA+U,P1,A2B12C3_aP17_1_2a_12a_3a:Cs-O-W,17.0,A2B12C3_aP17_1_2a_12a_3a:Cs-O-W +mp-1225952,CsNbWO6,-8.59178277,-2.6323416689,0.0,-0.0660770366,GGA+U,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Nb-O-W, expected CsNbWO12 to be CsNbWO6" +mp-21857,Cs(WO3)2,-8.5032301472,-2.226364025,0.0050138311,0.0050138311,GGA+U,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-O-W,18.0,AB6C2_cF72_227_a_f_d:Cs-O-W +mp-1213748,Cs2WO8,-6.2563706623,-1.3179666019,0.1179786514,0.1179786514,GGA+U,P2_1/c,A2B8C_mP44_14_2e_8e_e:Cs-O-W,44.0,A2B8C_mP44_14_2e_8e_e:Cs-O-W +mp-753119,Cs(WO3)3,-8.7308324538,-2.2469869567,0.0,-0.0312534541,GGA+U,P6/mmm,AB9C3_hP13_191_a_fm_g:Cs-O-W,13.0,"Invalid WP multiplicities - AB9C3_hP13_191_a_3f3m_g:Cs-O-W, expected Cs(WO9)3 to be Cs(WO3)3" +mp-1211732,KAgTeS3,-3.8931374896,-0.6438690822,0.0400019571,0.0400019571,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Ag-K-S-Te,24.0,ABC3D_mP24_14_e_e_3e_e:Ag-K-S-Te +mp-1211783,KAgTeS3,-3.8958088192,-0.6465404118,0.0373306275,0.0373306275,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Ag-K-S-Te,24.0,ABC3D_mP24_14_e_e_3e_e:Ag-K-S-Te +mp-28468,KAg5S3,-3.5549994152,-0.479162908,0.0,-0.0339978855,GGA,P-62c,A5BC3_hP54_190_g2hi_af_3h:Ag-K-S,54.0,A5BC3_hP54_190_g2hi_af_3h:Ag-K-S +mp-7494,K2Ag4S3,-3.5317875133000003,-0.6473017902,0.0,-0.0132662394,GGA,C2/m,A4B2C3_mC36_12_4i_2i_3i:Ag-K-S,18.0,"Invalid WP multiplicities - A4B2C3_mC36_12_5i_2i_5i:Ag-K-S, expected K2(AgS)5 to be K2Ag4S3" +mp-726700,K3TeS4,-3.7696094931,-0.8920717179000001,0.1516740831,0.1516740831,GGA,I-43m,A3B4C_cI64_217_de_abg_c:K-S-Te,32.0,A3B4C_cI64_217_de_abg_c:K-S-Te +mp-18577,KAg3S2,-3.5341425821,-0.5539814670000001,0.0092508822,0.0092508822,GGA,Fd-3m,A3BC2_cF96_227_f_c_e:Ag-K-S,24.0,A3BC2_cF96_227_f_c_e:Ag-K-S +mp-29692,K2TeS3,-3.9594492025,-0.9972069712,0.0,-0.028550876,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:K-S-Te,24.0,A2B3C_mP24_14_2e_3e_e:K-S-Te +mp-554226,Rb2U(MoO5)2,-8.1785843307,-2.5512066315,0.0,-0.0106208114,GGA+U,P2_1/c,A2B10C2D_mP120_14_4e_20e_4e_2e:Mo-O-Rb-U,120.0,"Invalid WP multiplicities - A2B10C2D_mP120_14_13e_78e_13e_6e:Mo-O-Rb-U, expected Rb13U6(MoO6)13 to be Rb2U(MoO5)2" +mp-867940,Rb2U2O5,-8.4545506322,-2.9792915521000003,0.1074439803,0.1074439803,GGA,P4/mmm,A5B2C2_tP9_123_ci_ab_h:O-Rb-U,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_ab_h:O-Rb-U, expected Rb2U2O9 to be Rb2U2O5" +mp-504890,U(MoO4)2,-9.109035995,-2.5130160023,0.0539448144,0.0539448144,GGA+U,Pban,A2B8C_oP44_50_m_2ghi2m_g:Mo-O-U,44.0,A2B8C_oP44_50_m_2ghi2m_g:Mo-O-U +mp-1239062,U(MoO4)2,-9.0805646009,-2.4845446082,0.0824162085,0.0824162085,GGA+U,Pban,A2B8C_oP44_50_m_2ghi2m_g:Mo-O-U,44.0,A2B8C_oP44_50_m_2ghi2m_g:Mo-O-U +mp-704511,U(MoO4)2,-9.0219006115,-2.4258806188,0.141080198,0.141080198,GGA+U,Pbca,A2B8C_oP88_61_2c_8c_c:Mo-O-U,88.0,"Invalid WP multiplicities - A2B8C_oP88_61_7c_57c_c:Mo-O-U, expected UMo7O57 to be U(MoO4)2" +mp-704406,U(MoO4)2,-9.0305192233,-2.4344992306,0.1324615861,0.1324615861,GGA+U,P3,A2B8C_hP99_143_6d_24d_abc2d:Mo-O-U,99.0,"Invalid WP multiplicities - A2B8C_hP99_143_17d_71d_abc5d:Mo-O-U, expected U6Mo17O71 to be U(MoO4)2" +mp-1179395,U2MoO8,-9.7526317659,-3.1160881459,0.0632098927,0.0632098927,GGA+U,P1,AB8C2_aP44_1_4a_32a_8a:Mo-O-U,44.0,AB8C2_aP44_1_4a_32a_8a:Mo-O-U +mp-683675,U2MoO8,-9.7534953311,-3.1169517111,0.0623463275,0.0623463275,GGA+U,P2_1/c,AB8C2_mP44_14_e_8e_2e:Mo-O-U,44.0,"Invalid WP multiplicities - AB8C2_mP44_14_e_28e_7e:Mo-O-U, expected U7MoO28 to be U2MoO8" +mp-555242,Rb6U2Mo4O21,-7.8603766529,-2.5352527792,0.0076952656,0.0076952656,GGA+U,P-1,A4B21C6D2_aP66_2_4i_21i_6i_2i:Mo-O-Rb-U,66.0,"Invalid WP multiplicities - A4B21C6D2_aP66_2_8i_42i_11i_4i:Mo-O-Rb-U, expected Rb11U4(Mo4O21)2 to be Rb6U2Mo4O21" +mp-687091,Rb2U2Mo3O16,-8.552585759,-2.6296354166,0.0032584862,0.0032584862,GGA+U,Pna2_1,A3B16C2D2_oP92_33_3a_16a_2a_2a:Mo-O-Rb-U,92.0,"Invalid WP multiplicities - A3B16C2D2_oP92_33_7a_60a_7a_5a:Mo-O-Rb-U, expected Rb7U5Mo7O60 to be Rb2U2Mo3O16" +mp-1198786,Rb2UMo2O11,-7.840785675,-2.2559510376,0.1358051795,0.1358051795,GGA+U,P2_1/c,A2B11C2D_mP64_14_2e_11e_2e_e:Mo-O-Rb-U,64.0,A2B11C2D_mP64_14_2e_11e_2e_e:Mo-O-Rb-U +mp-683981,Rb8U9O31,-8.7963888111,-3.3210906295,0.0095057926,0.0095057926,GGA,Pbcn,A31B8C9_oP192_60_c15d_4d_c4d:O-Rb-U,192.0,"Invalid WP multiplicities - A31B8C9_oP192_60_4c112d_27d_4c23d:O-Rb-U, expected Rb27U25O114 to be Rb8U9O31" +mp-1204282,UMo2O11,-7.9429621161,-1.7003702551000002,0.4322542814,0.4322542814,GGA+U,C2/c,A2B11C_mC168_15_3f_e16f_ef:Mo-O-U,84.0,A2B11C_mC168_15_3f_e16f_ef:Mo-O-U +mp-1196742,U(MoO5)12,-6.5735528144,-0.570257828,0.8938214923000001,0.8938214923000001,GGA+U,R-3,A12B60C_hR219_148_2f_10f_a:Mo-O-U,73.0,A12B60C_hR219_148_2f_10f_a:Mo-O-U +mp-554750,Rb6U(Mo2O9)2,-7.5527044367,-2.3941661027,0.0,-0.0123294502,GGA+U,C2/c,A4B18C6D_mC116_15_2f_9f_2e2f_a:Mo-O-Rb-U,58.0,"Invalid WP multiplicities - A4B18C6D_mC116_15_6f_33f_3e6f_a:Mo-O-Rb-U, expected Rb15U(Mo2O11)6 to be Rb6U(Mo2O9)2" +mp-18958,UMoO6,-9.2457327547,-2.7685837063000003,0.0007461467,0.0007461467,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Mo-O-U,32.0,"Invalid WP multiplicities - AB6C_mP32_14_e_22e_e:Mo-O-U, expected UMoO22 to be UMoO6" +mp-818573,U(MoO6)2,-7.6120253307,-1.455827013,0.5346225544000001,0.5346225544000001,GGA+U,Pca2_1,A2B12C_oP60_29_2a_12a_a:Mo-O-U,60.0,A2B12C_oP60_29_2a_12a_a:Mo-O-U +mp-818263,U(MoO6)2,-7.610115548,-1.4539172303,0.5365323371,0.5365323371,GGA+U,Pbcm,A2B12C_oP60_57_e_c3d4e_d:Mo-O-U,60.0,A2B12C_oP60_57_e_c3d4e_d:Mo-O-U +mp-618968,UMoO5,-9.5667228875,-2.870936648,0.0604553932,0.0604553932,GGA+U,Pcca,AB5C_oP28_54_c_cdef_d:Mo-O-U,28.0,"Invalid WP multiplicities - AB5C_oP28_54_c_4c4d3e4f_d:Mo-O-U, expected UMoO19 to be UMoO5" +mp-558239,Rb4U5O17,-8.904607242600001,-3.3479574568,0.0043725893,0.0043725893,GGA,Pbcn,A17B4C5_oP104_60_c8d_2d_c2d:O-Rb-U,104.0,"Invalid WP multiplicities - A17B4C5_oP104_60_4c58d_7d_3c11d:O-Rb-U, expected Rb14U25O120 to be Rb4U5O17" +mp-7726,Rb2UO4,-7.7639776229,-3.0440871943,0.0,-0.2044585554,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Rb-U,7.0,A4B2C_tI14_139_ce_e_a:O-Rb-U +mp-32069,UMo5O16,-8.8081970459,-2.2324388668,0.0283533389,0.0283533389,GGA+U,P2,A5B16C_mP22_3_a2e_ac7e_c:Mo-O-U,22.0,"Invalid WP multiplicities - A5B16C_mP22_3_a3e_ad13e_d:Mo-O-U, expected U(MoO4)7 to be UMo5O16" +mp-1100965,UMo5O16,-8.7885621234,-2.2128039443,0.0479882614,0.0479882614,GGA+U,C222,A5B16C_oC88_21_k2l_2ef2gk5l_e:Mo-O-U,44.0,"Invalid WP multiplicities - A5B16C_oC88_21_2k4l_4e2f4g2k16l_e:Mo-O-U, expected U(Mo5O22)2 to be UMo5O16" +mp-11775,RbUO3,-8.72775054,-3.3053484967,0.0,-0.04909973,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-U,5.0,A3BC_cP5_221_c_a_b:O-Rb-U +mp-674373,Rb2U2O7,-8.6763668609,-3.2972114842,0.0076997459,-0.0113758374,GGA,P-1,A7B2C2_aP22_2_7i_2i_abi:O-Rb-U,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_12i_4i_abi:O-Rb-U, expected Rb2UO6 to be Rb2U2O7" +mp-1219702,Rb2U2O7,-8.6207801891,-3.2416248124,0.0632864177,0.0442108345,GGA,Pm,A7B2C2_mP11_6_3a4b_ab_ab:O-Rb-U,11.0,A7B2C2_mP11_6_3a4b_ab_ab:O-Rb-U +mp-560458,Rb2U2O7,-8.6840666068,-3.3049112301,0.0,-0.0190755833,GGA,P2_1/c,A7B2C2_mP22_14_a3e_e_e:O-Rb-U,22.0,"Invalid WP multiplicities - A7B2C2_mP22_14_2a10e_e_e:O-Rb-U, expected RbUO11 to be Rb2U2O7" +mp-1217654,U3(Mo5O16)4,-8.6725032972,-2.1509480128,0.0265924884,0.0265924884,GGA+U,C2/m,A20B64C3_mC174_12_2i4j_ab2h3i13j_ci:Mo-O-U,87.0,"Invalid WP multiplicities - A20B64C3_mC174_12_3i12j_ab4h4i35j_ci:Mo-O-U, expected U3(Mo27O79)2 to be U3(Mo5O16)4" +mp-1205144,Mg3(Al9W)2,-4.3679379141,-0.1010915859,0.0,-0.0075304674,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-W,46.0,A18B3C2_cF184_227_fg_ac_d:Al-Mg-W +mp-1247432,Mg2AlW3S8,-6.7190337836000005,-1.0824533868,0.2029225552,0.2029225552,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Al-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_mC28_8_a_2a_4a4b_ab:Al-Mg-S-W, expected Mg2Al(WS4)3 to be Mg2AlW3S8" +mp-1185717,Mg16Al12W,-2.8471211841,0.0325174707,0.0889900137,0.0889900137,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-W,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-W, expected Mg58Al39W to be Mg16Al12W" +mp-1247155,Mg2Al3WS8,-5.5904721393,-1.2699709425,0.1438787298,0.1438787298,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Al-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Al-Mg-S-W, expected Mg2Al3WS22 to be Mg2Al3WS8" +mp-1023297,Mg6AlW,-3.0573924744,0.2307808206,0.2744878775,0.2744878775,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-W, expected Mg12AlW to be Mg6AlW" +mp-1023289,Mg6AlW,-3.038461365,0.24971193,0.2934189869,0.2934189869,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-W, expected Mg12AlW to be Mg6AlW" +mp-1246619,MgAlWS4,-6.1331532436,-1.1546124468,0.1950003604,0.1950003604,GGA,Imm2,ABC4D_oI28_44_c_ab_2c2d_d:Al-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_c_ab_4c3d_d:Al-Mg-S-W, expected MgAlWS7 to be MgAlWS4" +mp-1028226,Mg14AlW,-2.309650955,0.1345757175,0.1694905055,0.1694905055,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-W, expected Mg18AlW to be Mg14AlW" +mp-1028220,Mg14AlW,-2.3074284475,0.136798225,0.171713013,0.171713013,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-W, expected Mg26AlW to be Mg14AlW" +mp-1120730,K3(CuS)4,-4.1498558259,-0.8522355542000001,0.0010947527,0.0010947527,GGA,Pbam,A4B3C4_oP22_55_gh_ah_gh:Cu-K-S,22.0,A4B3C4_oP22_55_gh_ah_gh:Cu-K-S +mp-1223513,KCuS3,-3.971876212,-0.4480851685,0.3433378027,0.3433378027,GGA,Pmm2,ABC3_oP5_25_a_b_b2c:Cu-K-S,5.0,ABC3_oP5_25_a_b_b2c:Cu-K-S +mp-9868,KCu3S2,-4.2427750375,-0.6292885890000001,0.0058589325,0.0058589325,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Cu-K-S,12.0,"Invalid WP multiplicities - A3BC2_mC24_12_5i_i_3i:Cu-K-S, expected KCu5S3 to be KCu3S2" +mp-1223529,KCu7S4,-4.3175678525,-0.4550140938,0.0168192761,0.0168192761,GGA,P1,A7BC4_aP12_1_7a_a_4a:Cu-K-S,12.0,A7BC4_aP12_1_7a_a_4a:Cu-K-S +mp-17174,K3(Cu4S3)2,-4.2554326247,-0.670517954,0.0019911865,0.0019911865,GGA,C2/m,A8B3C6_mC34_12_4i_ai_3i:Cu-K-S,17.0,"Invalid WP multiplicities - A8B3C6_mC34_12_5i_ai_4i:Cu-K-S, expected K3(Cu5S4)2 to be K3(Cu4S3)2" +mp-27677,KCu4S3,-4.33287015,-0.5932982465000001,0.0,-0.0024857971,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-K-S,8.0,A4BC3_tP8_123_i_a_bh:Cu-K-S +mp-2646999,K(CuS)2,-4.27851943,-0.7621770258,0.0,-0.0184743959,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-K-S,5.0,A2BC2_tI10_139_d_a_e:Cu-K-S +mp-28270,KCuS,-4.0446432025,-0.9292913745,0.0,-0.0597810288,GGA,Pnma,ABC_oP12_62_a_c_c:Cu-K-S,12.0,ABC_oP12_62_a_c_c:Cu-K-S +mp-15786,KHoS2,-5.6242073525,-2.1327804648,0.0,-0.1928054415,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-K-S,4.0,ABC2_hR12_166_a_b_c:Ho-K-S +mp-11606,KHo2CuS4,-5.7744163,-1.9093884469,0.0,-0.0204238576,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Ho-K-S,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_a2c3f:Cu-Ho-K-S, expected KHo2CuS9 to be KHo2CuS4" +mp-680679,K2Ho4Cu4S9,-5.56167254,-1.657708916,0.0019167179,-0.0016126204,GGA,Cm,A4B4C2D9_mC38_8_4a_4a_2a_9a:Cu-Ho-K-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_4i_4i_i_a6i:Cu-Ho-K-S, expected K2Ho8Cu8S13 to be K2Ho4Cu4S9" +mp-1172870,K2Ho4Cu4S9,-5.5635892579,-1.6596256339000002,0.0,-0.0035293383,GGA,C2/m,A4B4C2D9_mC38_12_2i_2i_i_a4i:Cu-Ho-K-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_4i_4i_i_a6i:Cu-Ho-K-S, expected K2Ho8Cu8S13 to be K2Ho4Cu4S9" +mp-1246910,Ba(C4N3)2,-8.4060824537,-0.0215978917,0.2384417015,0.2384417015,GGA,Pmna,AB8C6_oP30_53_a_2hi_hi:Ba-C-N,30.0,AB8C6_oP30_53_a_2hi_hi:Ba-C-N +mp-1245468,Ba(C4N3)2,-8.4155581942,-0.0310736322,0.2289659609,0.2289659609,GGA,P31m,AB8C6_hP45_157_ab_4c2d_2c2d:Ba-C-N,45.0,AB8C6_hP45_157_ab_4c2d_2c2d:Ba-C-N +mp-1247355,Ba7CN6,-5.5128082798,-0.3213468782,0.3650880385,0.3650880385,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ba-C-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ba-C-N +mp-1247171,Ba4CN4,-6.3140136356,-0.7306197519000001,0.0199737331,0.0199737331,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:Ba-C-N,36.0,A4BC4_oP36_62_4c_c_4c:Ba-C-N +mp-1029375,BaCN2,-7.930306045,-0.9751484744,0.0,-0.4104793881,GGA,R-3m,ABC2_hR12_166_a_b_c:Ba-C-N,4.0,ABC2_hR12_166_a_b_c:Ba-C-N +mp-28898,BaCN2,-7.8737745342,-0.9186169635,0.0565315108,-0.3539478773,GGA,R-3c,ABC2_hR72_167_e_e_f:Ba-C-N,24.0,ABC2_hR72_167_e_e_f:Ba-C-N +mp-1245933,Ba3CN3,-6.3394561764,-0.6258740211,0.1565524664,0.1565524664,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-C-N,14.0,A3BC3_hP14_176_h_c_h:Ba-C-N +mp-861914,Ba3Co(CN)3,-7.253677806,-0.6976054193,0.0,-0.0978601783,GGA,P6_3/m,A3B3CD3_hP20_176_h_h_c_h:Ba-C-Co-N,20.0,A3B3CD3_hP20_176_h_h_c_h:Ba-C-Co-N +mp-1246400,Ba11(CN5)2,-6.0122068522,-0.6673805663,0.0441598772,0.0441598772,GGA,P4_2/mnm,A11B2C10_tP46_136_ag2i_f_3fi:Ba-C-N,46.0,A11B2C10_tP46_136_ag2i_f_3fi:Ba-C-N +mp-1245412,BaC7N10,-8.1542133331,0.1727079246,0.3894075856,0.3894075856,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Ba-C-N,36.0,AB7C10_mP36_7_a_7a_10a:Ba-C-N +mp-1246905,Ba5(CN3)2,-6.6393241292,-0.6338491112,0.1858382168,0.1858382168,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ba-C-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ba-C-N +mp-1369951,Ca2IrWO6,-7.941337872,-2.3925482282,0.1557032823,0.1557032823,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ir-O-W,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_b:Ca-Ir-O-W, expected Ca2IrWO20 to be Ca2IrWO6" +mp-2271432,MgUO4,-8.9096271183,-3.4632196342,0.0,-0.0364505117,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Mg-O-U,6.0,AB4C_oC12_65_a_gj_c:Mg-O-U +mp-7858,MgUO4,-8.9095677183,-3.4631602342,5.94e-05,-0.0363911117,GGA,Imma,AB4C_oI24_74_a_hi_e:Mg-O-U,12.0,AB4C_oI24_74_a_hi_e:Mg-O-U +mp-687301,MgUO4,-8.9095710917,-3.4631636075,5.60267e-05,-0.036394485,GGA,Imma,AB4C_oI24_74_a_hi_e:Mg-O-U,12.0,AB4C_oI24_74_a_hi_e:Mg-O-U +mp-686040,MgU2O6,-9.525235165,-3.5404315719,0.0292887767,0.0292887767,GGA,C2/c,AB6C2_mC36_15_e_3f_2e:Mg-O-U,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_8f_2e:Mg-O-U, expected MgU2O16 to be MgU2O6" +mp-1222035,MgU2O6,-9.5237499122,-3.5389463192,0.0307740294,0.0307740294,GGA,Immm,AB6C2_oI18_71_a_fn_g:Mg-O-U,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2f2n_g:Mg-O-U, expected MgU2O12 to be MgU2O6" +mp-1210945,MgU(MoO4)4,-8.51837167,-2.3628575845,0.0063619527,0.0063619527,GGA+U,P2/c,AB4C16D_mP44_13_e_2g_ef7g_f:Mg-Mo-O-U,44.0,"Invalid WP multiplicities - AB4C16D_mP44_13_e_2g_ef14g_f:Mg-Mo-O-U, expected MgU(Mo2O15)2 to be MgU(MoO4)4" +mp-1185614,MgUO3,-8.395218106,-2.8488668672,0.6235247140000001,0.6235247140000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-U,5.0,AB3C_cP5_221_b_c_a:Mg-O-U +mp-1225528,DyThCN,-8.421853175,-1.0254017981,0.0516642975,0.0516642975,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:C-Dy-N-Th,4.0,ABCD_tP4_123_a_b_d_c:C-Dy-N-Th +mp-1225519,DyThN2,-8.97173581,-1.798327075,0.017299885,0.017299885,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-N-Th,4.0,AB2C_hR12_166_a_c_b:Dy-N-Th +mp-1002123,KZrS2,-6.227604335,-1.7448545073,0.0,-0.1253416691,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Zr,4.0,AB2C_hR12_166_a_c_b:K-S-Zr +mp-9317,KZrCuS3,-5.8726322192,-1.5115229112000002,0.0,-0.1219258366,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-K-S-Zr,12.0,ABC3D_oC24_63_c_c_cf_a:Cu-K-S-Zr +mp-560331,K2ZrS4,-5.4639935866,-1.5619510164,0.0,-0.0933408866,GGA,Pbca,A2B4C_oP56_61_2c_4c_c:K-S-Zr,56.0,"Invalid WP multiplicities - A2B4C_oP56_61_6c_25c_c:K-S-Zr, expected K6ZrS25 to be K2ZrS4" +mp-14326,Tm11(Ni10C)6,-6.1518763018,-0.2893518419,0.0015840433,0.0015840433,GGA,Im-3m,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Tm,77.0,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Tm +mp-1190739,TmNiB4,-6.7256756275,-0.5634190964,0.0,-0.0209910423,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ni-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Ni-Tm +mp-1188278,Tm3Ni13B2,-6.1106425856,-0.447972216,0.0069761628,0.0069761628,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Tm,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Tm +mp-1203068,Tm4NiB13,-6.6532335447,-0.5134795784,0.0823182634,0.0823182634,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Ni-Tm,36.0,A13BC4_tP36_128_agi_b_h:B-Ni-Tm +mp-1203552,Tm2(Ni5B3)3,-6.4156004562,-0.4245140337,0.0,-0.0084143469,GGA,Cmce,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Tm,104.0,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Tm +mp-6754,TmNi2B2C,-6.96041547,-0.5231558337000001,0.0,-0.0370475753,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Tm,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Tm +mp-1102968,Tm2(NiB2)3,-6.6278493,-0.5943555262,0.0,-0.0351535864,GGA,Cmmm,A6B3C2_oC22_65_gp_ah_j:B-Ni-Tm,11.0,A6B3C2_oC22_65_gp_ah_j:B-Ni-Tm +mp-10857,Tm(BC)2,-7.696157567,-0.437767577,0.009051372,0.009051372,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Tm,10.0,A2B2C_tP10_127_g_g_b:B-C-Tm +mp-1079749,Tm(BC)2,-7.5455744,-0.28718441,0.159634539,0.159634539,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Tm,10.0,A2B2C_tP10_131_j_l_f:B-C-Tm +mp-4037,TmNiC2,-7.5259703825,-0.3476446104,0.0,-0.0338580712,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Tm,4.0,A2BC_oC8_38_d_a_b:C-Ni-Tm +mp-1005955,Tm3Ni7B2,-6.1502428304,-0.5463056161000001,0.0,-0.0218862873,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Ni-Tm,24.0,A2B7C3_hP24_194_bc_ak_df:B-Ni-Tm +mp-1203887,Tm2(Ni2B)5,-6.3722655262,-0.4810892614,0.0,-0.0117541399,GGA,Pbca,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Tm,136.0,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Tm +mp-10129,TmNi4B,-6.2253389542,-0.5127099685000001,0.0,-0.0413086044,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Tm,12.0,"Invalid WP multiplicities - AB4C_hP12_191_c_d2i_ab:B-Ni-Tm, expected TmNi7B to be TmNi4B" +mp-1095577,Tm4B3C4,-7.3153200855,-0.5102129058,0.0,-0.0336324626,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:B-C-Tm,11.0,A3B4C4_aP11_2_ai_2i_2i:B-C-Tm +mp-1205529,Tm4Ni2C5,-7.2782854882,-0.4049270777,0.0,-0.0227393023,GGA,Pmm2,A5B2C4_oP11_25_a2f_f_bce:C-Ni-Tm,11.0,A5B2C4_oP11_25_a2f_f_bce:C-Ni-Tm +mp-1191950,Tm4Ni13C4,-6.549005029,-0.3604440527,0.0,-0.0134403152,GGA,Cmmm,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Tm,21.0,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Tm +mp-21608,Tm2(Ni7B2)3,-6.2344559948,-0.3582183482,0.0,-0.0009426779,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Tm,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a4f3h_c:B-Ni-Tm, expected Tm2(Ni23B2)3 to be Tm2(Ni7B2)3" +mp-15604,TmB2C,-7.3243448006,-0.5585236862,0.0,-0.0403234325,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Tm,32.0,A2BC_tP32_135_2h_h_g:B-C-Tm +mp-3972,Ce2SO2,-8.61076505,-3.4315639301,0.0,-0.0808072523,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ce-O-S,5.0,A2B2C_hP5_164_d_d_a:Ce-O-S +mp-1178406,CrSO4,-7.5794314488,-1.9833894184,0.0459903177,0.0459903177,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Cr-O-S,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_5c4d_c:Cr-O-S, expected CrSO13 to be CrSO4" +mp-768304,CrSO4,-7.56446077,-1.9684187397,0.0609609964,0.0609609964,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Cr-O-S,24.0,AB4C_oC24_63_a_fg_c:Cr-O-S +mp-1201840,Ce(SO6)2,-6.1435843048,-1.2391674099,0.5430116453,0.5430116453,GGA,Pnma,AB12C2_oP60_62_c_2c5d_d:Ce-O-S,60.0,AB12C2_oP60_62_c_2c5d_d:Ce-O-S +mp-510277,Ce3S2O3,-8.4474515816,-3.333422415,0.0,-0.0039555469,GGA,Pnma,A3B3C2_oP32_62_3c_3c_2c:Ce-O-S,32.0,A3B3C2_oP32_62_3c_3c_2c:Ce-O-S +mp-730380,Ce2S3O16,-6.5392076556,-1.6143244513,0.5758182005,0.5758182005,GGA,P2_1/c,A2B16C3_mP84_14_2e_16e_3e:Ce-O-S,84.0,A2B16C3_mP84_14_2e_16e_3e:Ce-O-S +mp-551214,CeCrS2O,-7.958338939,-2.197193925,0.0226328448,0.0226328448,GGA+U,C2/m,ABCD2_mC20_12_i_ad_i_2i:Ce-Cr-O-S,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_ac_i_3i:Ce-Cr-O-S, expected CeCrS3O to be CeCrS2O" +mp-21947,Ce(SO4)2,-7.3192894915,-2.4302441661,0.0,-0.2006979686,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Ce-O-S,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_58c_8c:Ce-O-S, expected Ce(S4O29)2 to be Ce(SO4)2" +mp-579209,Ce10S14O,-7.3048675817,-2.4173524458,0.0214224669,0.0214224669,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:Ce-O-S,100.0,"Invalid WP multiplicities - A10BC14_tI200_142_6f18g_a_7e34g:Ce-O-S, expected Ce84S150O to be Ce10S14O" +mp-1190870,Ce2S4O17,-7.1023958996,-2.2108443401,0.1137370362,0.1137370362,GGA,Pm,A2B17C4_mP23_6_ab_4a5b4c_2a2b:Ce-O-S,23.0,A2B17C4_mP23_6_ab_4a5b4c_2a2b:Ce-O-S +mp-19976,Ce4S3O4,-8.3674646641,-3.2830591127,0.0,-0.042372699,GGA,Pbam,A4B4C3_oP22_55_gh_gh_ah:Ce-O-S,22.0,A4B4C3_oP22_55_gh_gh_ah:Ce-O-S +mp-780604,Cr(SO4)2,-7.0132377042,-1.7860143502,0.0582810575,0.0582810575,GGA+U,Pbca,AB8C2_oP88_61_c_8c_2c:Cr-O-S,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_29c_5c:Cr-O-S, expected CrS5O29 to be Cr(SO4)2" +mp-757440,Cr(SO4)2,-7.0124226579,-1.7851993039,0.0590961038,0.0590961038,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Cr-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Cr-O-S, expected Cr(SO9)2 to be Cr(SO4)2" +mp-773001,Cr(SO4)2,-7.0071019467,-1.7798785927,0.0644168151,0.0644168151,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Cr-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Cr-O-S, expected Cr(SO9)2 to be Cr(SO4)2" +mp-1190795,CrSO9,-5.9141280782,-0.6132466474,0.6138268479,0.6138268479,GGA+U,P-1,AB9C_aP22_2_bc_9i_i:Cr-O-S,22.0,AB9C_aP22_2_bc_9i_i:Cr-O-S +mp-755777,Ce2S2O,-7.857164509,-2.8400111580000003,0.040003318,0.040003318,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Ce-O-S,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_3e_e_3e:Ce-O-S, expected Ce3S3O to be Ce2S2O" +mp-768940,Cr2(SO4)3,-7.362241554,-2.0048469025,0.0104981325,-0.1491707635,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Cr-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Cr-O-S, expected Cr3S11O43 to be Cr2(SO4)3" +mp-19361,Cr2(SO4)3,-7.3727396865,-2.015345035,0.0,-0.159668896,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Cr-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_4c_4f_f:Cr-O-S, expected Cr4(SO4)3 to be Cr2(SO4)3" +mp-1203647,CeSO6,-7.12528952,-2.1565806088,0.2509581237,0.2509581237,GGA,P2_12_12_1,AB6C_oP32_19_a_6a_a:Ce-O-S,32.0,AB6C_oP32_19_a_6a_a:Ce-O-S +mp-1198864,CrSO6,-6.96133424,-1.5276305395,0.1595955167,0.1595955167,GGA+U,Cc,AB6C_mC96_9_3a_18a_3a:Cr-O-S,48.0,AB6C_mC96_9_3a_18a_3a:Cr-O-S +mp-1182563,Ce2(SO6)3,-6.2130364324,-1.286257097,0.7134383676,0.7134383676,GGA,C2/c,A2B18C3_mC92_15_f_9f_ef:Ce-O-S,46.0,A2B18C3_mC92_15_f_9f_ef:Ce-O-S +mp-1203667,Ce2(SO6)3,-6.2346138178,-1.3078344825,0.6918609822,0.6918609822,GGA,C2/c,A2B18C3_mC92_15_f_9f_ef:Ce-O-S,46.0,A2B18C3_mC92_15_f_9f_ef:Ce-O-S +mp-1202383,Ce3S3O16,-7.5223087945,-2.551598047,0.074807843,0.074807843,GGA,I4/m,A3B16C3_tI88_87_eh_2h3i_dh:Ce-O-S,44.0,A3B16C3_tI88_87_eh_2h3i_dh:Ce-O-S +mp-850713,Bi2CO5,-6.978099225,-1.7727133114,0.0249900966,-0.0698914225,GGA,Cm,A2BC5_mC16_8_2a_a_3ab:Bi-C-O,8.0,"Invalid WP multiplicities - A2BC5_mC16_8_2a_a_3a2b:Bi-C-O, expected Bi2CO7 to be Bi2CO5" +mp-556210,Bi2CO5,-7.0030893216,-1.797703408,0.0,-0.0948815191,GGA,Pna2_1,A2BC5_oP64_33_4a_2a_10a:Bi-C-O,64.0,"Invalid WP multiplicities - A2BC5_oP64_33_12a_5a_35a:Bi-C-O, expected Bi12(CO7)5 to be Bi2CO5" +mp-760411,Bi2CO5,-6.9895417275,-1.7841558139,0.0135475941,-0.081333925,GGA,Fmm2,A2BC5_oF32_42_c_a_abc:Bi-C-O,8.0,"Invalid WP multiplicities - A2BC5_oF32_42_c_a_a2b2c:Bi-C-O, expected Bi2CO9 to be Bi2CO5" +mp-30200,Bi2CO5,-6.8872078763,-1.6818219627,0.1158814453,0.0209999262,GGA,Imm2,A2BC5_oI16_44_2a_a_a2bc:Bi-C-O,8.0,"Invalid WP multiplicities - A2BC5_oI16_44_2a_a_a2b2c:Bi-C-O, expected Bi2CO7 to be Bi2CO5" +mp-1178485,BiCO3,-7.2055585,-1.6237143487,0.0799999674,0.0799999674,GGA,P-1,ABC3_aP20_2_2i_2i_6i:Bi-C-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_3i_3i_11i:Bi-C-O, expected Bi3C3O11 to be BiCO3" +mp-1193340,Bi(CO2)3,-7.1981069627,-1.0774451752,0.5710667521,0.5710667521,GGA,P3m1,AB3C6_hP30_156_abc_3d_6d:Bi-C-O,30.0,AB3C6_hP30_156_abc_3d_6d:Bi-C-O +mp-1211254,LaCO4,-8.1565538583,-2.4979826179,0.1303874244,0.1303874244,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-La-O,24.0,ABC4_oP24_19_a_a_4a:C-La-O +mp-1191196,LaCO4,-8.1562711346,-2.4976998942,0.1306701482,0.1306701482,GGA,Pnma,ABC4_oP24_62_c_c_2cd:C-La-O,24.0,ABC4_oP24_62_c_c_2cd:C-La-O +mp-1202759,LaCO4,-8.2125628974,-2.553991657,0.0743783853,0.0743783853,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-La-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-La-O +mp-1181011,La2C3O17,-6.8007970497,-1.2711734688,0.4038934541,0.4038934541,GGA,Pccn,A3B2C17_oP88_56_ce_cd_c8e:C-La-O,88.0,A3B2C17_oP88_56_ce_cd_c8e:C-La-O +mp-555349,La2CO5,-8.757941496499999,-3.2786760891,0.0,-0.1929805694,GGA,C2/c,AB2C5_mC96_15_ef_3f_e7f:C-La-O,48.0,"Invalid WP multiplicities - AB2C5_mC96_15_2e2f_9f_2e25f:C-La-O, expected La9C3O26 to be La2CO5" +mp-579552,La2CO5,-8.7562042809,-3.2769388736,0.0017372155,-0.1912433539,GGA,Ama2,AB2C5_oC192_40_a3bc_6c_a3b13c:C-La-O,96.0,"Invalid WP multiplicities - AB2C5_oC192_40_2a5b3c_21c_2a6b52c:C-La-O, expected La42C13O112 to be La2CO5" +mp-1223327,La2CO5,-8.737101725,-3.2578363177,0.0208397715,-0.172140798,GGA,Ama2,AB2C5_oC32_40_b_c_b2c:C-La-O,16.0,AB2C5_oC32_40_b_c_b2c:C-La-O +mp-729796,Bi(CO3)3,-6.6445690052,-0.7948240814,0.779667697,0.779667697,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Bi-C-O,52.0,AB3C9_mP52_14_e_3e_9e:Bi-C-O +mp-1197076,BiC2O5,-7.3172439856,-1.4383360267,0.2903643952,0.2903643952,GGA,Pnma,AB2C5_oP32_62_c_d_c2d:Bi-C-O,32.0,AB2C5_oP32_62_c_d_c2d:Bi-C-O +mp-1229017,BiC3O10,-6.5513734236,-0.766132515,0.695895565,0.695895565,GGA,P1,AB3C10_aP56_1_4a_12a_40a:Bi-C-O,56.0,AB3C10_aP56_1_4a_12a_40a:Bi-C-O +mp-27311,LaCO,-8.5233456067,-2.1528918371,0.0532492665,0.0532492665,GGA,C2/m,ABC_mC12_12_i_i_i:C-La-O,6.0,ABC_mC12_12_i_i_i:C-La-O +mp-1147562,LaBi2(CO)2,-6.2020546714,-0.3495269896,1.2791851916,1.2791851916,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_d:Bi-C-La-O,7.0,A2B2CD2_tI14_139_e_e_a_d:Bi-C-La-O +mp-1223905,K2Ti(TeO4)3,-6.3731803567,-1.9894874608,0.0,-0.0922428456,GGA,C2,A2B12C3D_mC36_5_c_6c_ac_b:K-O-Te-Ti,18.0,"Invalid WP multiplicities - A2B12C3D_mC36_5_c_12c_ac_b:K-O-Te-Ti, expected K2Ti(TeO8)3 to be K2Ti(TeO4)3" +mp-1223334,KTeO5,-5.0093829829,-0.8683617833,0.4235679499,0.4235679499,GGA,P2/m,AB5C_mP7_10_g_a2n_b:K-O-Te,7.0,AB5C_mP7_10_d_a2n_b:K-O-Te +mp-1212432,K4Te8O23,-5.729001469,-1.6329476606000002,0.0,-0.0060896667,GGA,Pnma,A4B23C8_oP140_62_4c_7c8d_ab4cd:K-O-Te,140.0,"Invalid WP multiplicities - A4B23C8_oP140_62_4c_7c15d_ab4c2d:K-O-Te, expected K4Te10O37 to be K4Te8O23" +mp-29129,K2Te2O5,-5.4740918492,-1.7806637117,0.0,-0.0151899113,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:K-O-Te,36.0,A2B5C2_mP36_14_2e_5e_2e:K-O-Te +mp-773785,K2TeO4,-5.3891197746,-1.79613997,0.0,-0.1700416139,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:K-O-Te,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_7e_15e_e:K-O-Te, expected K7TeO15 to be K2TeO4" +mp-1198096,K2(TeO4)3,-5.4043501953,-1.2272337183,0.1610635018,0.1610635018,GGA,Fdd2,A2B12C3_oF136_43_b_6b_ab:K-O-Te,34.0,A2B12C3_oF136_43_b_6b_ab:K-O-Te +mp-1195914,KTe2O9,-5.2109954635,-0.884561369,0.3285673484,0.3285673484,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:K-O-Te,48.0,AB9C2_mP48_14_e_9e_2e:K-O-Te +mp-1181043,K2TeO5,-5.1192960688,-1.3571026508,0.214519823,0.214519823,GGA,Immm,A2B5C_oI64_71_2em_2f2mo_m:K-O-Te,32.0,A2B5C_oI64_71_2em_2f2mo_m:K-O-Te +mp-561973,K(TeO3)2,-5.7371875122,-1.6175049565,0.0,-0.0279165809,GGA,C2/m,AB6C2_mC72_12_2i_4i4j_adefi:K-O-Te,36.0,"Invalid WP multiplicities - AB6C2_mC72_12_2i_7i16j_ac2ef2i:K-O-Te, expected K2(Te2O13)3 to be K(TeO3)2" +mp-1184940,KTeO3,-5.462513868,-1.6437596732,0.0842737435,0.0842737435,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Te,5.0,AB3C_cP5_221_a_c_b:K-O-Te +mp-29128,K2Te4O9,-5.6372575428000005,-1.6829762183,0.0,-0.0163576532,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:K-O-Te,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_2e_12e_4e:K-O-Te, expected K(TeO3)2 to be K2Te4O9" +mp-1181131,KTeO4,-5.16630574,-1.1595624591,0.3476888964,0.3476888964,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:K-O-Te,48.0,AB4C_mP48_14_2e_8e_2e:K-O-Te +mp-1192052,KTeO4,-5.464518685,-1.4577754041,0.0494759514,0.0494759514,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:K-O-Te,24.0,AB4C_mP24_14_e_4e_e:K-O-Te +mp-1201469,KTeO4,-5.1523825154,-1.1456392345,0.361612121,0.361612121,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:K-O-Te,48.0,AB4C_mP48_14_2e_8e_2e:K-O-Te +mp-729962,KTeO4,-5.4657392708,-1.4589959899,0.0482553656,0.0482553656,GGA,C2/c,AB4C_mC24_15_e_2f_e:K-O-Te,12.0,AB4C_mC24_15_e_2f_e:K-O-Te +mp-8724,K2TeO3,-5.2359574317,-1.8685957782,0.0,-0.1513868939,GGA,P-3,A2B3C_hP12_147_abd_g_d:K-O-Te,12.0,"Invalid WP multiplicities - A2B3C_hP12_147_ab2d_g_d:K-O-Te, expected K3TeO3 to be K2TeO3" +mp-1180792,KTeO7,-4.9628814186,-0.6428229943,0.3620112427,0.3620112427,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:K-O-Te,36.0,AB7C_mP36_14_e_7e_e:K-O-Te +mp-1198635,KTeO7,-4.9686489583,-0.648590534,0.356243703,0.356243703,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:K-O-Te,36.0,AB7C_mP36_14_e_7e_e:K-O-Te +mp-30280,K4(TiTe3)3,-4.6047547617,-1.0786407068,0.0,-0.047603163,GGA,P2_1/c,A4B9C3_mP64_14_4e_9e_3e:K-Te-Ti,64.0,A4B9C3_mP64_14_4e_9e_3e:K-Te-Ti +mp-1199028,K2TeO6,-4.5462534319,-0.6524494259,0.7445483286,0.7445483286,GGA,Pnma,A2B6C_oP36_62_2c_2c2d_c:K-O-Te,36.0,A2B6C_oP36_62_2c_2c2d_c:K-O-Te +mp-1100938,V2GaO5,-7.9885058529,-2.2473368881,0.1887443108,0.1887443108,GGA+U,P1,AB5C2_aP24_1_3a_15a_6a:Ga-O-V,24.0,AB5C2_aP24_1_3a_15a_6a:Ga-O-V +mp-757877,V2GaO5,-8.1754286673,-2.4342597024,0.0018214965,0.0018214965,GGA+U,P-1,AB5C2_aP48_2_3i_15i_ad5i:Ga-O-V,48.0,"Invalid WP multiplicities - AB5C2_aP48_2_5i_28i_ad10i:Ga-O-V, expected V11Ga5O28 to be V2GaO5" +mp-1216516,V3Zn2GaO11,-7.3353118371,-2.2051425855,0.0050731321,0.0050731321,GGA+U,P-1,AB11C3D2_aP34_2_i_11i_3i_2i:Ga-O-V-Zn,34.0,AB11C3D2_aP34_2_i_11i_3i_2i:Ga-O-V-Zn +mp-756465,VGa2O5,-7.2899645694,-2.3057718605,0.0432496281,0.0432496281,GGA+U,C2/c,A2B5C_mC32_15_f_e2f_a:Ga-O-V,32.0,A2B5C_mC32_15_f_e2f_c:Ga-O-V +mp-755580,VGaO3,-7.7008931325,-2.3104794873,0.0920560701,0.0920560701,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ga-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Ga-O-V, expected VGaO7 to be VGaO3" +mp-27595,K2ReF8,-5.5107562168,-2.7873783242,0.0,-0.1428122659,GGA,Pnma,A8B2C_oP44_62_2c3d_2c_c:F-K-Re,44.0,"Invalid WP multiplicities - A8B2C_oP44_62_2c4d_2c_c:F-K-Re, expected K2ReF10 to be K2ReF8" +mp-557125,K3ReClF6,-5.3143726745,-2.6695422663,0.00915373,0.00915373,GGA,P4/mbm,AB6C3D_tP22_127_a_hk_bg_c:Cl-F-K-Re,22.0,"Invalid WP multiplicities - AB6C3D_tP22_127_a_4h4k_2b2g_c:Cl-F-K-Re, expected K6ReClF24 to be K3ReClF6" +mp-22947,K2ReCl6,-4.5458446778,-1.6840063401,0.0,-0.0693586658,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Re,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Re +mp-7824,K2ReF6,-5.6759318178,-2.7721319418,0.0,-0.0659836002,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Re,9.0,A6B2C_hP9_164_i_d_a:F-K-Re +mp-23550,KBrF4,-3.7103464042,-1.9921225463,0.0,-0.1712113933,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Br-F-K,12.0,AB4C_tI24_140_d_l_a:Br-F-K +mp-556565,KBrF4,-3.32464382,-1.6064199622,0.3857025842,0.2144911908,GGA,I4/mcm,AB4C_tI24_140_b_l_c:Br-F-K,12.0,AB4C_tI24_140_b_l_c:Br-F-K +mp-1147537,K2Cu(BrF)2,-3.6918957386,-1.7991787159,0.2215192239,0.2215192239,GGA,P4/mmm,A2BC2D2_tP7_123_e_b_ac_f:Br-Cu-F-K,7.0,A2BC2D2_tP7_123_e_b_ac_f:Br-Cu-F-K +mp-1211540,KY2Cl7,-5.3643764182,-2.6660666389000003,0.0,-0.0044506094,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Cl-K-Y,40.0,A7BC2_mP40_14_7e_e_2e:Cl-K-Y +mp-973271,K3Y,-1.8770007175,0.5724162711,0.5724162711,0.5724162711,GGA,I4/mmm,A3B_tI8_139_ad_b:K-Y,4.0,A3B_tI8_139_ad_b:K-Y +mp-976373,K3Y,-1.8863880438,0.5630289448,0.5630289448,0.5630289448,GGA,P6_3/mmc,A3B_hP8_194_h_c:K-Y,8.0,A3B_hP8_194_h_c:K-Y +mp-1185095,K3Y,-1.8708615975,0.5785553911,0.5785553911,0.5785553911,GGA,Fm-3m,A3B_cF16_225_ac_b:K-Y,4.0,A3B_cF16_225_ac_b:K-Y +mp-1185083,KY,-3.288886045,0.4995489852,0.4995489852,0.4995489852,GGA,P-6m2,AB_hP2_187_a_d:K-Y,2.0,AB_hP2_187_a_d:K-Y +mp-1211533,K2YCl5,-4.7792005972,-2.5379565588,0.0,-0.0049732104,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Y,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-Y +mp-1110872,K2YAgCl6,-4.401793031,-2.1406885339,0.0364531958,0.0364531958,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Y +mp-1211890,K3YCl6,-4.577511043,-2.4886222516,0.0,-0.0066101562,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Y,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Y +mp-1211952,K3YCl6,-4.576415588,-2.4875267966,0.001095455,-0.0055147012,GGA,C2/c,A6B3C_mC80_15_6f_3f_ce:Cl-K-Y,,A6B3C_mC80_15_6f_3f_ae:Cl-K-Y +mp-1110875,K3YCl6,-4.512234797,-2.4233460056,0.065276246,0.0586660898,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-K-Y,10.0,A6B3C_cF40_225_e_ac_b:Cl-K-Y +mp-1095520,KPd2O3,-5.5243833408,-1.139345224,0.0,-0.0850716656,GGA,R-3m,AB3C2_hR36_166_c_h_ae:K-O-Pd,12.0,AB3C2_hR36_166_c_h_ae:K-O-Pd +mp-972985,KPdO3,-5.05649011,-0.8304207318,0.1662051293,0.1662051293,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Pd,5.0,AB3C_cP5_221_a_c_b:K-O-Pd +mp-1206274,KNd3O6,-4.588659767,-0.0791624158,3.0353834559,3.0353834559,GGA,Cmmm,AB3C6_oC20_65_a_de_kp:K-Nd-O,10.0,AB3C6_oC20_65_a_de_kp:K-Nd-O +mp-1104831,K2PdO4,-4.8575342586,-0.9736150373,0.1328096739,0.1328096739,GGA,P1,A2B4C_aP14_1_4a_8a_2a:K-O-Pd,14.0,A2B4C_aP14_1_4a_8a_2a:K-O-Pd +mp-1211762,K2PdO4,-4.8593645536,-0.9754453323,0.1309793789,0.1309793789,GGA,P2_1,A2B4C_mP14_4_2a_4a_a:K-O-Pd,14.0,A2B4C_mP14_4_2a_4a_a:K-O-Pd +mp-1104224,K2PdO4,-4.8571482036,-0.9732289823,0.1331957289,0.1331957289,GGA,P2_1/c,A2B4C_mP14_14_e_2e_a:K-O-Pd,14.0,A2B4C_mP14_14_e_2e_a:K-O-Pd +mp-558831,KNdPdO3,-6.5971392592,-2.2807235386,0.0149765704,0.0149765704,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:K-Nd-O-Pd,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_6i_i:K-Nd-O-Pd, expected KNdPdO6 to be KNdPdO3" +mp-540584,K2PdO2,-4.756591438,-1.2977800127,0.0,-0.0342702604,GGA,Immm,A2B2C_oI10_71_e_g_c:K-O-Pd,5.0,A2B2C_oI10_71_e_g_c:K-O-Pd +mp-754158,KNdO2,-6.899030255,-2.9560493045,0.0,-0.1239991116,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Nd-O,4.0,ABC2_hR12_166_a_b_c:K-Nd-O +mp-768864,KNdO2,-6.8923904575,-2.949409507,0.0066397975,-0.1173593141,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:K-Nd-O,8.0,ABC2_hP8_194_c_a_f:K-Nd-O +mp-560563,K3(PdO2)2,-5.0585265839,-1.3387804388,0.0,-0.0940008694,GGA,Cmcm,A3B4C2_oC36_63_cf_h_ac:K-O-Pd,18.0,"Invalid WP multiplicities - A3B4C2_oC36_63_2c3f_h_2a2c:K-O-Pd, expected K2PdO to be K3(PdO2)2" +mp-531195,Sr2NF,-5.457192572,-2.0504523722,0.0,-0.0372339427,GGA,Cmcm,ABC2_oC128_63_acd2g_ef2g_2f4gh:F-N-Sr,64.0,"Invalid WP multiplicities - ABC2_oC128_63_2a2c2d7g_2e3f4g_6f10g3h:F-N-Sr, expected Sr22N9F11 to be Sr2NF" +mp-1210764,N2F,-6.0285304637,0.1662924754,0.1662924754,0.1662924754,GGA,P2_12_12_1,AB2_oP24_19_2a_4a:F-N,24.0,AB2_oP24_19_2a_4a:F-N +mp-726658,NF,-4.2350797325,0.8889072137,0.8889072137,0.8889072137,GGA,Cmc2_1,AB_oC8_36_a_a:F-N,4.0,AB_oC8_36_a_a:F-N +mp-723203,NF,-4.7413913525,0.3825955937,0.3825955937,0.3825955937,GGA,R-3m,AB_hR12_166_c_c:F-N,4.0,AB_hR12_166_c_c:F-N +mp-14283,Sr2InF7,-5.6360888472,-3.6849865063,0.0,-0.0116086973,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-In-Sr,40.0,A7BC2_mP40_14_7e_e_2e:F-In-Sr +mp-989402,Sr6In2NF,-3.588429496,-0.9995992888,0.0249342634,0.0249342634,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:F-In-N-Sr,10.0,AB2CD6_cF40_225_a_c_b_e:F-In-N-Sr +mp-1212444,In3NF10,-4.5810931261,-2.0306405696,0.399022442,0.399022442,GGA,P222_1,A10B3C_oP28_17_ac4e_2ab_d:F-In-N,28.0,A10B3C_oP28_17_ac4e_2ab_d:F-In-N +mp-1206282,In(NF2)3,-3.786736361,0.13626787,1.2701106087,1.2701106087,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-In-N,10.0,A6BC3_cF40_225_e_a_bc:F-In-N +mp-1206041,Cs3VF6,-5.366221186,-3.0423224869,0.0220669453,0.0220669453,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-V,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-V +mp-1192215,CsVF4,-6.1497970821,-3.2122596967,0.0,-0.0885786567,GGA+U,Pmmn,AB4C_oP24_59_ab_efg_c:Cs-F-V,24.0,AB4C_oP24_59_ab_efg_c:Cs-F-V +mp-27239,Cs2VF6,-5.647544305,-3.1649237918,0.0,-0.2111481864,GGA+U,Cmcm,A2B6C_oC36_63_2c_2ch_c:Cs-F-V,18.0,A2B6C_oC36_63_2c_2ch_c:Cs-F-V +mp-1228876,CsVCoF6,-6.0156505683,-2.8427061192,0.0826782297,0.0826782297,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Co-Cs-F-V,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Co-Cs-F-V, expected CsVCoF12 to be CsVCoF6" +mp-1110761,Rb2YCuI6,-3.520014441,-1.3833200382,0.0826708685,0.0826708685,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-Rb-Y +mp-1114152,Rb3YI6,-3.502130709,-1.6773035659,0.059242819,0.059242819,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Rb-Y,10.0,A6B3C_cF40_225_e_ac_b:I-Rb-Y +mp-27859,SbI5F6,-3.4981272411,-1.5844016749,0.0,-0.0335926244,GGA,P-1,A6B5C_aP36_2_9i_a7i_bi:F-I-Sb,36.0,"Invalid WP multiplicities - A6B5C_aP36_2_11i_a9i_bi:F-I-Sb, expected Sb3I19F22 to be SbI5F6" +mp-27236,Sb2I2F11,-4.4181202553,-2.2693866672,0.0168813056,0.0168813056,GGA,C2,A11B2C2_mC30_5_a5c_c_c:F-I-Sb,15.0,A11B2C2_mC30_5_a5c_c_c:F-I-Sb +mp-27212,Sb2IF15,-4.5253285557,-2.3917978144,0.0,-0.0124661617,GGA,P2_1/c,A15BC2_mP72_14_15e_e_2e:F-I-Sb,72.0,A15BC2_mP72_14_15e_e_2e:F-I-Sb +mp-558073,Sb2SeI2F11,-4.437310598,-2.2043783917,0.0105297965,0.0105297965,GGA,P-1,A11B2C2D_aP64_2_22i_4i_4i_2i:F-I-Sb-Se,64.0,"Invalid WP multiplicities - A11B2C2D_aP64_2_44i_6i_8i_4i:F-I-Sb-Se, expected Sb4Se2I3F22 to be Sb2SeI2F11" +mp-28431,Sb(IF3)2,-4.1282573722,-2.0677454006,0.0,-0.011149671,GGA,P-1,A6B2C_aP18_2_6i_2i_i:F-I-Sb,18.0,A6B2C_aP18_2_6i_2i_i:F-I-Sb +mp-559000,SbSe6IF6,-4.1270427418,-1.4094205803,0.0,-0.0190139515,GGA,P2/c,A6BCD6_mP28_13_3g_e_b_3g:F-I-Sb-Se,28.0,"Invalid WP multiplicities - A6BCD6_mP28_13_10g_e_b_8g:F-I-Sb-Se, expected SbSe16IF20 to be SbSe6IF6" +mp-23403,SbIF5,-4.4513141111,-2.2856337643,0.0,-0.0062491585,GGA,P2_1/c,A5BC_mP112_14_20e_4e_4e:F-I-Sb,112.0,A5BC_mP112_14_20e_4e_4e:F-I-Sb +mp-558026,SbSe(IF2)3,-3.9755796186,-1.8379536575,0.0,-0.0838834089,GGA,P2_1/c,A6B3CD_mP44_14_6e_3e_e_e:F-I-Sb-Se,44.0,"Invalid WP multiplicities - A6B3CD_mP44_14_19e_10e_e_e:F-I-Sb-Se, expected SbSeI10F19 to be SbSe(IF2)3" +mp-30214,SbIF10,-4.3411054067,-2.2813423013,0.0074372279,0.0074372279,GGA,Ibca,A10BC_oI96_73_2c4f_c_c:F-I-Sb,48.0,A10BC_oI96_73_2c4f_c_c:F-I-Sb +mp-1184960,KMgO3,-4.960399644,-1.4502506179,0.36418468,0.36418468,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Mg-O,5.0,ABC3_cP5_221_a_b_c:K-Mg-O +mp-1099257,KMg3O4,-5.35711046,-2.1448612172,0.4696891044,0.4696891044,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:K-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:K-Mg-O, expected KMg3O7 to be KMg3O4" +mp-2219699,K2Mg(ReO4)2,-7.4276113492,-2.1750235028,0.1990508524,0.1990508524,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:K-Mg-O-Re,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:K-Mg-O-Re, expected K2Mg(ReO6)2 to be K2Mg(ReO4)2" +mp-12171,K6MgO4,-4.1365652986,-1.5866172462,0.0,-0.0056523989,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:K-Mg-O,22.0,A6BC4_hP22_186_2c_b_bc:K-Mg-O +mp-753662,K2Mg2O3,-5.1738083621,-2.279319201,0.0076805146,0.0076805146,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:K-Mg-O,14.0,A2B2C3_mP14_14_e_e_ae:K-Mg-O +mp-769025,K2Mg2O3,-5.1536994343,-2.2592102732,0.0277894425,0.0277894425,GGA,P4_32_12,A2B2C3_tP28_96_b_b_ab:K-Mg-O,28.0,"Invalid WP multiplicities - A2B2C3_tP28_96_b_b_4a5b:K-Mg-O, expected KMgO7 to be K2Mg2O3" +mp-755802,K2MgO2,-4.7230745555,-1.9801834822,0.0,-0.0022534218,GGA,Pbcn,A2BC2_oP20_60_d_c_d:K-Mg-O,20.0,A2BC2_oP20_60_d_c_d:K-Mg-O +mp-1205576,Ba2NdUO6,-8.517463295,-3.559699336,0.0,-0.0219966961,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-U +mp-675770,Nd3U2O10,-9.6043550287,-3.8474117333,0.0,-0.1150076442,GGA,C2/m,A3B10C2_mC30_12_ai_h2j_i:Nd-O-U,15.0,"Invalid WP multiplicities - A3B10C2_mC30_12_a2i_2h8j_i:Nd-O-U, expected Nd5U2O36 to be Nd3U2O10" +mp-568802,KBi(PSe3)2,-4.3595144295,-0.6842182339,0.002562747,-0.020234603,GGA,P2_1,ABC2D6_mP20_4_a_a_2a_6a:Bi-K-P-Se,20.0,"Invalid WP multiplicities - ABC2D6_mP20_4_a_a_2a_11a:Bi-K-P-Se, expected KBiP2Se11 to be KBi(PSe3)2" +mp-569435,KBi(PSe3)2,-4.3620771765,-0.6867809809000001,0.0,-0.02279735,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Bi-K-P-Se,40.0,"Invalid WP multiplicities - ABC2D6_mP40_14_e_e_5e_21e:Bi-K-P-Se, expected KBiP5Se21 to be KBi(PSe3)2" +mp-757546,K3Ta8O21,-9.5400324647,-3.2252236891,0.0,-0.0067613267,GGA,P6_3/mcm,A3B21C8_hP64_193_g_gkl_dk:K-O-Ta,64.0,"Invalid WP multiplicities - A3B21C8_hP64_193_g_6g6k8l_2d3k:K-O-Ta, expected K3Ta22O150 to be K3Ta8O21" +mp-28530,K2Ta15O32,-10.0405300971,-3.1347851767,0.0,-0.0066647643,GGA,R-3,A2B32C15_hR147_148_c_c5f_ac2f:K-O-Ta,49.0,"Invalid WP multiplicities - A2B32C15_hR147_148_c_c6f_ac2f:K-O-Ta, expected K2Ta15O38 to be K2Ta15O32" +mp-1184935,KPbO3,-5.137626526,-1.2050040958,0.151146497,0.151146497,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Pb,5.0,AB3C_cP5_221_a_c_b:K-O-Pb +mp-3614,KTaO3,-8.640023914,-3.0783753718,0.0,-0.0819249469,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Ta,5.0,AB3C_cP5_221_a_c_b:K-O-Ta +mp-1223256,KTa2O6,-9.0077007328,-2.9514689023000003,0.0768200359,0.0768200359,GGA,Imma,AB6C2_oI36_74_a_2ej_bc:K-O-Ta,18.0,"Invalid WP multiplicities - AB6C2_oI36_74_a_4e2j_bc:K-O-Ta, expected KTa2O12 to be KTa2O6" +mp-22328,K4PbO4,-4.6904769611,-1.5859216608,0.0,-0.1059172617,GGA,P-1,A4B4C_aP18_2_4i_4i_i:K-O-Pb,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_7i_i:K-O-Pb, expected K7PbO7 to be K4PbO4" +mp-22756,K2PbO3,-5.0535056042,-1.5912537545,0.0046115183,-0.0766887021,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:K-O-Pb,12.0,A2B3C_oC24_36_b_ab_a:K-O-Pb +mp-504935,K2PbO3,-5.0540916171,-1.5918397675,0.0040255054,-0.077274715,GGA,Pnma,A2B3C_oP24_62_d_cd_c:K-O-Pb,24.0,A2B3C_oP24_62_d_cd_c:K-O-Pb +mp-561277,K2PbO3,-5.0581171225,-1.5958652729,0.0,-0.0813002204,GGA,P6_3/mcm,A2B3C_hP24_193_bg_k_d:K-O-Pb,24.0,"Invalid WP multiplicities - A2B3C_hP24_193_2b3g_k_d:K-O-Pb, expected K11(PbO3)2 to be K2PbO3" +mp-21949,K4PbO3,-4.3527977686,-1.4785091446,0.0,-0.0117587498,GGA,Pbca,A4B3C_oP64_61_4c_3c_c:K-O-Pb,64.0,A4B3C_oP64_61_4c_3c_c:K-O-Pb +mp-556517,K2PbO2,-4.7104602675,-1.5450957902,0.0,-0.0101568205,GGA,P-1,A2B2C_aP20_2_4i_4i_2i:K-O-Pb,20.0,"Invalid WP multiplicities - A2B2C_aP20_2_8i_7i_3i:K-O-Pb, expected K8Pb3O7 to be K2PbO2" +mp-1099764,K2Ta2O5,-8.2923105344,-2.6623331222,0.1880144443,0.1880144443,GGA,Ima2,A2B5C2_oI36_46_c_b2c_ab:K-O-Ta,18.0,A2B5C2_oI36_46_c_b2c_ab:K-O-Ta +mp-1223615,KTa5Pb2O15,-9.1923833289,-3.0173871591,0.0009622835,0.0009622835,GGA,Pmc2_1,AB15C2D5_oP46_26_a_5a10b_2a_5b:K-O-Pb-Ta,46.0,"Invalid WP multiplicities - AB15C2D5_oP46_26_a_8a18b_2a_8b:K-O-Pb-Ta, expected KTa8(PbO13)2 to be KTa5Pb2O15" +mp-20694,K2Pb2O3,-5.0659684571,-1.5679458618000002,0.0,-0.0443881176,GGA,I2_13,A2B3C2_cI28_199_a_b_a:K-O-Pb,14.0,A2B3C2_cI28_199_a_b_a:K-O-Pb +mp-27169,KTa5O13,-9.8595774383,-3.2960911044,0.0,-0.0177938286,GGA,Pbcm,AB13C5_oP76_57_d_d6e_c2e:K-O-Ta,76.0,"Invalid WP multiplicities - AB13C5_oP76_57_d_2d8e_c2e:K-O-Ta, expected KTa5O18 to be KTa5O13" +mp-1195471,K2Ta4O11,-9.3279226544,-3.2064235816,0.0,-0.0063835357,GGA,R-3c,A2B11C4_hR102_167_c_cef_be:K-O-Ta,34.0,A2B11C4_hR102_167_c_cef_be:K-O-Ta +mp-1224166,K6Ta11O30,-9.1879462519,-3.1135077636,0.0648494413,0.0648494413,GGA,Amm2,A6B30C11_oC94_38_2a2d_2a2b4d9e_a2b4e:K-O-Ta,47.0,"Invalid WP multiplicities - A6B30C11_oC94_38_2a2d_2a2b7d15e_a2b7e:K-O-Ta, expected K6Ta17O48 to be K6Ta11O30" +mp-683180,KPbO2,-4.4675376772,-0.7884318173,0.7863912597,0.7758952946000001,GGA,P-1,AB2C_aP16_2_2i_4i_2i:K-O-Pb,32.0,"Invalid WP multiplicities - AB2C_aP16_2_6i_9i_2i:K-O-Pb, expected K6Pb2O9 to be KPbO2" +mp-28574,KPbO2,-5.2539289369,-1.574823077,0.0,-0.0104959651,GGA,P-1,AB2C_aP16_2_2i_4i_2i:K-O-Pb,32.0,"Invalid WP multiplicities - AB2C_aP16_2_6i_9i_2i:K-O-Pb, expected K6Pb2O9 to be KPbO2" +mp-1419188,KPbO2,-4.4212101069,-0.742104247,0.83271883,0.8222228649000001,GGA,P-1,AB2C_aP16_2_2i_4i_2i:K-O-Pb,16.0,"Invalid WP multiplicities - AB2C_aP16_2_4i_4i_2i:K-O-Pb, expected K2PbO2 to be KPbO2" +mp-505187,K6Pb2O5,-4.5034069031,-1.5171660278,0.0,-0.0130466349,GGA,P-1,A6B5C2_aP26_2_6i_5i_2i:K-O-Pb,26.0,A6B5C2_aP26_2_6i_5i_2i:K-O-Pb +mp-4690,K3TaO8,-6.3268728075,-1.7633324608,0.0133399259,0.0133399259,GGA,I-42m,A3B8C_tI24_121_ad_2i_b:K-O-Ta,12.0,A3B8C_tI24_121_ad_2i_b:K-O-Ta +mp-36002,K9Ta10O30,-8.7100928451,-3.0576024745,0.0115733483,0.0115733483,GGA,P-1,A9B30C10_aP49_2_c4i_bd14i_5i:K-O-Ta,49.0,"Invalid WP multiplicities - A9B30C10_aP49_2_b7i_cd26i_9i:K-O-Ta, expected K5Ta6O18 to be K9Ta10O30" +mp-1181380,K2PbO6,-4.7671059156,-0.8100417787,0.2821446061,0.2821446061,GGA,P-1,A2B6C_aP9_2_i_3i_a:K-O-Pb,9.0,"Invalid WP multiplicities - A2B6C_aP9_2_i_6i_a:K-O-Pb, expected K2PbO12 to be K2PbO6" +mp-1216235,Y6Cr(GeS7)2,-6.8114745948,-1.7850298993,0.024322512,0.024322512,GGA,P1,AB2C14D6_aP23_1_a_2a_14a_6a:Cr-Ge-S-Y,23.0,AB2C14D6_aP23_1_a_2a_14a_6a:Cr-Ge-S-Y +mp-555795,Y2CrS4,-7.4688621188,-1.8786065239,0.0552189832,0.0552189832,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Cr-S-Y,56.0,"Invalid WP multiplicities - AB4C2_oP56_29_5a_28a_10a:Cr-S-Y, expected Y10Cr5S28 to be Y2CrS4" +mp-1207827,Y3CrS6,-7.41391432,-2.0267983189,0.0037184635,0.0037184635,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Cr-S-Y,40.0,AB6C3_oP40_58_ac_6g_3g:Cr-S-Y +mp-1216054,Y3GeS2,-7.1905488367,-1.8079920152,0.0,-0.0105153144,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Ge-S-Y,6.0,AB2C3_hP6_164_a_d_bd:Ge-S-Y +mp-1104027,Y(CrGe)6,-7.2791175054,-0.1927388082,0.0240797162,0.0240797162,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Cr-Ge-Y,13.0,A6B6C_hP13_191_i_cde_a:Cr-Ge-Y +mp-1045419,Y(CrS2)2,-7.4203508421,-1.3748700535,0.0653504233,0.0653504233,GGA,Imma,A2B4C_oI28_74_ac_hi_b:Cr-S-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_2a2c_4h3i_b:Cr-S-Y, expected Y(Cr2S7)2 to be Y(CrS2)2" +mp-1045362,Y(CrS2)2,-7.3066960143,-1.2612152256,0.1790052512,0.1790052512,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Cr-S-Y,14.0,A2B4C_tI28_141_c_h_b:Cr-S-Y +mp-1216124,Y4CrS7,-7.4308627875,-2.0580227049,0.0600589674,0.0600589674,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cr-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Cr-S-Y +mp-1216063,Y4GeS3,-7.2726285275,-1.9103457889,0.0069986825,0.0069986825,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:Ge-S-Y,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_4c:Ge-S-Y, expected Y8GeS5 to be Y4GeS3" +mp-1207499,YbWO5,-7.7948060004,-2.1903514195,0.1449944689,0.1449944689,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-W-Yb,,A5BC_mP28_14_5e_e_e:O-W-Yb +mp-17646,Yb2WO6,-7.7383402431,-2.6586203478,0.0,-0.0709919161,GGA+U,P2/c,A6BC2_mP36_13_6g_g_efg:O-W-Yb,,A6BC2_mP36_13_6g_g_efg:O-W-Yb +mp-759447,Yb2(WO4)3,-8.292703881,-2.3330643643,0.1058827972,0.1058827972,GGA+U,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-W-Yb,,"Invalid WP multiplicities - A12B3C2_oP68_60_21d_2c3d_d:O-W-Yb, expected YbW4O21 to be Yb2(WO4)3" +mp-1187485,YbWO3,-8.319799556,-2.4522386273,0.222409863,0.222409863,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:O-W-Yb,,A3BC_cP5_221_c_b_a:O-W-Yb +mp-1103822,YbWClO4,-7.5910307586,-2.4291693279,0.0,-0.0045879433,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_i:Cl-O-W-Yb,,AB4CD_aP14_2_i_4i_i_i:Cl-O-W-Yb +mp-560076,Nd2W2O9,-9.0782244202,-2.9264741336,0.0,-0.0099660351,GGA+U,P2_1/c,A2B9C2_mP52_14_2e_9e_2e:Nd-O-W,52.0,"Invalid WP multiplicities - A2B9C2_mP52_14_3e_30e_6e:Nd-O-W, expected Nd(WO5)2 to be Nd2W2O9" +mp-1209913,NdWO2,-8.589100159400001,-1.6841863881,1.1062491598,1.1062491598,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Nd-O-W,16.0,AB2C_tI32_141_c_h_d:Nd-O-W +mp-1209958,NdTl(WO4)2,-8.5375731567,-2.4858597626,0.0,-0.0387825386,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Nd-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Nd-O-Tl-W +mp-1210136,NdTl(WO4)2,-8.4911475031,-2.439434109,0.0464256535,0.0076431149,GGA+U,Pbcn,AB8CD2_oP48_60_c_4d_c_d:Nd-O-Tl-W,48.0,AB8CD2_oP48_60_c_4d_c_d:Nd-O-Tl-W +mp-17950,Nd2(WO4)3,-9.0665420132,-2.7270743609,0.0265387593,0.0265387593,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Nd-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_7f_ef:Nd-O-W, expected Nd2W3O14 to be Nd2(WO4)3" +mp-728450,NdWO5,-8.6551704507,-2.5894959909,0.127944276,0.127944276,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Nd-O-W,28.0,AB5C_mP28_14_e_5e_e:Nd-O-W +mp-1220965,Nd4(WO5)3,-9.0249757901,-3.0182798315,0.0358797007,0.0358797007,GGA+U,C2,A4B15C3_mC176_5_3a3b5c_30c_6c:Nd-O-W,88.0,"Invalid WP multiplicities - A4B15C3_mC176_5_3a3b8c_60c_12c:Nd-O-W, expected Nd11(WO5)12 to be Nd4(WO5)3" +mp-532050,Nd4(WO5)3,-9.0142935414,-3.0075975828,0.0465619494,0.0465619494,GGA+U,Pnma,A4B15C3_oP176_62_2c3d_8c11d_4cd:Nd-O-W,176.0,"Invalid WP multiplicities - A4B15C3_oP176_62_4c14d_29c62d_12c2d:Nd-O-W, expected Nd32W16O153 to be Nd4(WO5)3" +mp-18479,Nd2WO6,-8.9809276369,-3.1837545967,0.0548394003,-0.0195480786,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Nd-O-W,36.0,A2B6C_mC72_15_2ef_6f_f:Nd-O-W +mp-18057,Nd2WO6,-9.0357670372,-3.2385939969,0.0,-0.0743874789,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Nd-O-W,36.0,A2B6C_oP36_19_2a_6a_a:Nd-O-W +mp-31289,Bi5NO10,-6.3282537202,-1.5153894897,0.0,-0.0614611469,GGA,P2_1/c,A5BC10_mP64_14_5e_e_10e:Bi-N-O,64.0,"Invalid WP multiplicities - A5BC10_mP64_14_5e_e_15e:Bi-N-O, expected Bi5NO15 to be Bi5NO10" +mp-1078941,Ba2NO6,-6.2338235333,-1.5833149697,0.297915935,0.297915935,GGA,P-62m,A2BC6_hP9_189_c_a_fg:Ba-N-O,9.0,A2BC6_hP9_189_c_a_fg:Ba-N-O +mp-27897,Ba(NO2)2,-6.9603562121,-1.4776819786,0.0727603379,0.0727603379,GGA,P2_12_12_1,AB2C4_oP28_19_a_2a_4a:Ba-N-O,28.0,AB2C4_oP28_19_a_2a_4a:Ba-N-O +mp-1200015,Bi2N2O9,-6.2973735406,-0.9993607321,0.0256980956,0.0256980956,GGA,P2_1/c,A2B2C9_mP156_14_6e_6e_27e:Bi-N-O,156.0,A2B2C9_mP156_14_6e_6e_27e:Bi-N-O +mp-4396,Ba(NO3)2,-6.95498729,-1.5914209503,0.0,-0.4038226977,GGA,Pa-3,AB2C6_cP36_205_a_c_d:Ba-N-O,36.0,AB2C6_cP36_205_a_c_d:Ba-N-O +mp-1227833,Bi2NO6,-5.7003898011,-0.6228780842,0.6066584381,0.6066584381,GGA,Cmc2_1,A2BC6_oC36_36_2a_a_2a2b:Bi-N-O,18.0,A2BC6_oC36_36_2a_a_2a2b:Bi-N-O +mp-1182852,Bi6N5O26,-5.7959591126,-0.5705721964,0.451890007,0.451890007,GGA,P2_1/c,A6B5C26_mP148_14_6e_5e_26e:Bi-N-O,148.0,A6B5C26_mP148_14_6e_5e_26e:Bi-N-O +mp-1200045,Bi6N5O26,-5.8638812226,-0.6384943064,0.383967897,0.383967897,GGA,P2_1/c,A6B5C26_mP148_14_6e_5e_26e:Bi-N-O,148.0,A6B5C26_mP148_14_6e_5e_26e:Bi-N-O +mp-1182281,BaN6O,-7.0747371769,0.0358419733,0.7419116869,0.7419116869,GGA,Cc,AB6C_mC32_9_a_6a_a:Ba-N-O,16.0,AB6C_mC32_9_a_6a_a:Ba-N-O +mp-1182612,BiN3O14,-5.8784077158,-0.4282068346,0.1946370724,0.1946370724,GGA,P-1,AB3C14_aP36_2_i_3i_14i:Bi-N-O,36.0,AB3C14_aP36_2_i_3i_14i:Bi-N-O +mp-1200374,BiN3O14,-5.4624134422,-0.012212561,0.610631346,0.610631346,GGA,P-1,AB3C14_aP36_2_i_3i_14i:Bi-N-O,36.0,AB3C14_aP36_2_i_3i_14i:Bi-N-O +mp-1203637,BiN3O14,-5.8691609325,-0.4189600512,0.2038838557,0.2038838557,GGA,P-1,AB3C14_aP36_2_i_3i_14i:Bi-N-O,36.0,AB3C14_aP36_2_i_3i_14i:Bi-N-O +mp-1228172,BaBiNO5,-6.67422861,-1.8205532911,0.0,-0.0147654241,GGA,Cm,ABCD5_mC32_8_b_b_2a_2a4b:Ba-Bi-N-O,16.0,"Invalid WP multiplicities - ABCD5_mC32_8_b_b_2a_2a5b:Ba-Bi-N-O, expected BaBiNO6 to be BaBiNO5" +mp-772781,Lu2B4O9,-8.6354739863,-3.283496218,0.0404786959,0.0404786959,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-Lu-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_7i_3i_17i:B-Lu-O, expected Lu3B7O17 to be Lu2B4O9" +mp-554282,Lu3B5O12,-8.7002598137,-3.3842560663,0.0012406889,0.0012406889,GGA,Pmna,A5B3C12_oP80_53_e2hi_fi_g3h4i:B-Lu-O,80.0,"Invalid WP multiplicities - A5B3C12_oP80_53_4e8h4i_2f3i_4g11h26i:B-Lu-O, expected Lu8B20O67 to be Lu3B5O12" +mp-771772,Lu4(B2O5)3,-8.6775351236,-3.3831157887,0.0392940713,0.0392940713,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-Lu-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:B-Lu-O, expected Lu7B11O26 to be Lu4(B2O5)3" +mp-756270,Lu4(B2O5)3,-8.62539729,-3.3309779551,0.0914319049,0.0914319049,GGA,R3,A6B4C15_hR75_146_2b_ab_5b:B-Lu-O,25.0,"Invalid WP multiplicities - A6B4C15_hR75_146_4b_a2b_14b:B-Lu-O, expected Lu7(B2O7)6 to be Lu4(B2O5)3" +mp-680724,Lu(BO2)3,-8.6248570414,-3.2009312314,0.0,-0.0118206251,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Lu-O,160.0,"Invalid WP multiplicities - A3BC6_oP160_62_45d_14c_23c67d:B-Lu-O, expected Lu14B90O157 to be Lu(BO2)3" +mp-1222450,LuBO3,-8.694018302,-3.4859366171,0.084125662,0.0464365801,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Lu-O,10.0,ABC3_oC20_40_b_a_bc:B-Lu-O +mp-760461,LuBO3,-8.749382555,-3.5413008701,0.028761409,-0.0089276729,GGA,Cmcm,ABC3_oC20_63_c_a_cf:B-Lu-O,10.0,"Invalid WP multiplicities - ABC3_oC20_63_c_a_2cf:B-Lu-O, expected LuBO4 to be LuBO3" +mp-7560,LuBO3,-8.778143964,-3.5700622791,0.0,-0.0376890819,GGA,R-3c,ABC3_hR30_167_a_b_e:B-Lu-O,10.0,ABC3_hR30_167_a_b_e:B-Lu-O +mp-1210908,Li2Lu5B3O13,-8.3423018359,-3.5263137101,0.0,-0.0012001283,GGA,P2_1/m,A3B2C5D13_mP46_11_3e_2e_5e_13e:B-Li-Lu-O,46.0,A3B2C5D13_mP46_11_3e_2e_5e_13e:B-Li-Lu-O +mp-755161,Tb2WO6,-8.9993694683,-3.2319256131,0.0745599444,-0.0165429283,GGA+U,P2_1,A6B2C_mP18_4_6a_2a_a:O-Tb-W,18.0,"Invalid WP multiplicities - A6B2C_mP18_4_11a_2a_a:O-Tb-W, expected Tb2WO11 to be Tb2WO6" +mp-771017,Tb2WO6,-9.0737607328,-3.3063168775,0.00016868,-0.0909341928,GGA+U,P2/c,A6B2C_mP36_13_6g_efg_g:O-Tb-W,36.0,"Invalid WP multiplicities - A6B2C_mP36_13_23g_ef2g_g:O-Tb-W, expected Tb3WO23 to be Tb2WO6" +mp-770983,Tb2WO6,-9.0402798258,-3.2728359706,0.0336495869,-0.0574532858,GGA+U,C2/c,A6B2C_mC72_15_6f_2ef_f:O-Tb-W,36.0,"Invalid WP multiplicities - A6B2C_mC72_15_17f_4ef_f:O-Tb-W, expected Tb3WO17 to be Tb2WO6" +mp-771033,Tb2WO6,-9.0739294128,-3.3064855575,0.0,-0.0911028728,GGA+U,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Tb-W,36.0,"Invalid WP multiplicities - A6B2C_oP36_19_21a_5a_a:O-Tb-W, expected Tb5WO21 to be Tb2WO6" +mp-778379,Tb2WO6,-9.0723286331,-3.3048847778,0.0016007797,-0.0895020931,GGA+U,Pbca,A6B2C_oP72_61_6c_2c_c:O-Tb-W,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_21c_5c_c:O-Tb-W, expected Tb5WO21 to be Tb2WO6" +mp-1208379,TbWO5,-8.6655461382,-2.6189832973,0.1328473687,0.1328473687,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-Tb-W,28.0,A5BC_mP28_14_5e_e_e:O-Tb-W +mp-1192573,TbWBrO4,-8.2420091121,-2.6802548971,0.0305716018,0.0305716018,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-Tb-W,28.0,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-Tb-W +mp-770516,Tb2(WO4)3,-9.0867814896,-2.7630528175,0.0188818079,0.0188818079,GGA+U,P2_1/c,A12B2C3_mP68_14_12e_2e_3e:O-Tb-W,68.0,"Invalid WP multiplicities - A12B2C3_mP68_14_45e_5e_9e:O-Tb-W, expected Tb5(WO5)9 to be Tb2(WO4)3" +mp-768848,Tb2(WO4)3,-9.0672893479,-2.7435606759,0.0383739496,0.0383739496,GGA+U,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Tb-W,34.0,"Invalid WP multiplicities - A12B2C3_mC68_15_23f_f_e2f:O-Tb-W, expected Tb2W5O46 to be Tb2(WO4)3" +mp-770342,Tb2(WO4)3,-9.0603196621,-2.73659099,0.0453436354,0.0453436354,GGA+U,Pba2,A12B2C3_oP68_32_12c_2c_3c:O-Tb-W,68.0,"Invalid WP multiplicities - A12B2C3_oP68_32_45c_5c_9c:O-Tb-W, expected Tb5(WO5)9 to be Tb2(WO4)3" +mp-28356,U6Cu2S13,-7.7305852326,-1.5534080103,0.0,-0.010331656,GGA,C2/c,A2B13C6_mC84_15_f_e6f_3f:Cu-S-U,42.0,"Invalid WP multiplicities - A2B13C6_mC84_15_f_e7f_3f:Cu-S-U, expected U6Cu2S15 to be U6Cu2S13" +mp-13348,CsUCuS3,-6.2525148208,-1.4699533787,0.0,-0.1362191526,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Cu-S-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cs-Cu-S-U, expected CsUCuS5 to be CsUCuS3" +mp-1199290,Cs6U2(Cu4S5)3,-5.0409483213,-1.0640208271,0.0,-0.0791748705,GGA,Ia-3d,A6B12C15D2_cI280_230_g_h_ch_a:Cs-Cu-S-U,140.0,A6B12C15D2_cI280_230_g_h_ch_a:Cs-Cu-S-U +mp-619067,U3Cu2S7,-7.3403375067,-1.4213548035,0.0,-0.0239721917,GGA,P6_3,A2B7C3_hP24_173_ab_b2c_c:Cu-S-U,24.0,"Invalid WP multiplicities - A2B7C3_hP24_173_ab_2b8c_c:Cu-S-U, expected U3(CuS13)2 to be U3Cu2S7" +mp-1208801,Tb2(SO4)3,-7.4266431534,-2.6596816042,0.0,-0.3736452852,GGA,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-S-Tb,68.0,A12B3C2_oP68_60_6d_cd_d:O-S-Tb +mp-982366,Tb2S2O,-7.4661994365,-2.9685353075,0.0083367977,0.0083367977,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-S-Tb,20.0,AB2C2_mP20_14_e_2e_2e:O-S-Tb +mp-1208451,TbTlS2O9,-6.6403917877000005,-2.0411527583,0.1865767679,0.1865767679,GGA,P2_1/c,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tb-Tl,52.0,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tb-Tl +mp-1208797,Tb2S3O20,-5.975381392,-1.150907151,0.6576763399000001,0.6576763399000001,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-S-Tb,50.0,A20B3C2_mC100_15_10f_ef_f:O-S-Tb +mp-12668,Tb2SO2,-8.237541484,-3.5778295861,0.0,-0.1013902029,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-S-Tb,5.0,A2BC2_hP5_164_d_a_d:O-S-Tb +mp-999119,TbTlS2,-5.553872055,-1.7363948099000002,0.0,-0.0597038069,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Tb-Tl,4.0,A2BC_hR12_166_c_a_b:S-Tb-Tl +mp-5547,Mg2B2O5,-7.6104981744,-3.022410708,0.0003111975,-0.0134204224,GGA,P-1,A2B2C5_aP18_2_2i_2i_5i:B-Mg-O,18.0,A2B2C5_aP18_2_2i_2i_5i:B-Mg-O +mp-18256,Mg2B2O5,-7.6108093719,-3.0227219055,0.0,-0.0137316199,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Mg-O,36.0,A2B2C5_mP36_14_2e_2e_5e:B-Mg-O +mp-560772,Mg2B2O5,-7.6089803286,-3.0208928622,0.0018290433,-0.0119025765,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Mg-O,36.0,"Invalid WP multiplicities - A2B2C5_mP36_14_3e_4e_20e:B-Mg-O, expected Mg4B3O20 to be Mg2B2O5" +mp-1033729,HfMg14BO15,-6.37024781,-2.71731774,0.2849708625,0.2849708625,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Hf-Mg-O +mp-1033737,HfMg14BO15,-6.3002553777,-2.6473253078,0.3549632947,0.3549632947,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Hf-Mg-O +mp-1033841,HfMg14BO15,-6.2993012923,-2.6463712223,0.3559173802,0.3559173802,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Hf-Mg-O +mp-1033909,HfMg14BO15,-6.3047359284,-2.6518058584,0.3504827441,0.3504827441,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Hf-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Hf-Mg-O +mp-1033138,HfMg6BO8,-6.6181756400000005,-2.5049399656,0.5591419075,0.5591419075,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Hf-Mg-O, expected HfMg6BO12 to be HfMg6BO8" +mp-1033216,HfMg6BO8,-6.6084570106000005,-2.4952213362,0.5688605369,0.5688605369,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Hf-Mg-O, expected HfMg6BO12 to be HfMg6BO8" +mp-1017247,HfMg6B,-2.9493748894,0.3304077482,0.5359652781,0.5359652781,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Hf-Mg, expected HfMg12B to be HfMg6B" +mp-1017272,HfMg6B,-2.9142411944,0.3655414432,0.5710989731,0.5710989731,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Hf-Mg, expected HfMg12B to be HfMg6B" +mp-1038378,HfMg30BO32,-6.3872040052,-2.9037818011,0.1527688917,0.1527688917,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Hf-Mg-O, expected HfMg90BO80 to be HfMg30BO32" +mp-1038450,HfMg30BO32,-6.3872571384,-2.9038349344,0.1527157584,0.1527157584,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Hf-Mg-O, expected HfMg110BO72 to be HfMg30BO32" +mp-559617,HfB2O5,-9.2637991997,-3.2576221837,0.0,-0.000612666,GGA,P2_1/c,A2BC5_mP32_14_2e_e_5e:B-Hf-O,32.0,"Invalid WP multiplicities - A2BC5_mP32_14_4e_e_16e:B-Hf-O, expected Hf(BO4)4 to be HfB2O5" +mp-1184625,HfBO3,-8.317634202,-2.0223048151,1.3355054685,1.3355054685,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Hf-O,5.0,ABC3_cP5_221_b_a_c:B-Hf-O +mp-1026463,HfMg14B,-2.2528163438,0.1872150001,0.2997963317,0.2997963317,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Hf-Mg, expected HfMg18B to be HfMg14B" +mp-1026427,HfMg14B,-2.2269983962,0.2130329476,0.3256142792,0.3256142792,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Hf-Mg, expected HfMg26B to be HfMg14B" +mp-1198135,MgB2O7,-6.527196007,-1.56860755,0.5105981126,0.5105981126,GGA,P4_2/n,A2BC7_tP40_86_g_c_e3g:B-Mg-O,40.0,A2BC7_tP40_86_g_c_e3g:B-Mg-O +mp-1210705,Mg2BO4,-7.0040948429,-2.7659938835,0.0567949719,0.0567949719,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:B-Mg-O,28.0,AB2C4_oP28_62_c_2c_4c:B-Mg-O +mp-1033686,HfMg14BO16,-6.4564514087,-2.7630913812,0.295969705,0.295969705,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Hf-Mg-O, expected HfMg18BO20 to be HfMg14BO16" +mp-1033651,HfMg14BO16,-6.4547937769,-2.7614337493,0.2976273369,0.2976273369,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Hf-Mg-O, expected HfMg30BO32 to be HfMg14BO16" +mp-1038485,HfMg30BO31,-6.3558151706,-2.8956194191,0.1329557596,0.1329557596,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:B-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:B-Hf-Mg-O, expected HfMg38BO39 to be HfMg30BO31" +mp-1098606,HfMg30BO31,-6.2933692624,-2.8331735108,0.1954016679,0.1954016679,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:B-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2a2bc2d2e2f4g4h2i:B-Hf-Mg-O, expected HfMg38BO39 to be HfMg30BO31" +mp-1038364,HfMg30BO31,-6.3045635635,-2.8443678119,0.1842073668,0.1842073668,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:B-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:B-Hf-Mg-O, expected HfMg38BO39 to be HfMg30BO31" +mp-1038412,HfMg30BO31,-6.3551079052,-2.8949121537,0.133663025,0.133663025,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_a2b2c2d2e2f:B-Hf-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_a2b2c2d6e6f:B-Hf-Mg-O, expected HfMg62BO63 to be HfMg30BO31" +mp-868019,Mg(B2O5)3,-6.8017188071,-1.5345842006,0.7002235793,0.7002235793,GGA,Pbca,A6BC15_oP176_61_6c_c_15c:B-Mg-O,176.0,A6BC15_oP176_61_6c_c_15c:B-Mg-O +mp-1099256,Mg3BO4,-6.10137554,-2.1930021943,0.7309013773,0.7309013773,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:B-Mg-O,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:B-Mg-O, expected Mg3BO7 to be Mg3BO4" +mp-1196889,Mg3B11O24,-7.5334221569,-2.3493516648,0.2381538649,0.2381538649,GGA,Pbcn,A11B3C24_oP152_60_c5d_cd_12d:B-Mg-O,152.0,A11B3C24_oP152_60_c5d_cd_12d:B-Mg-O +mp-1189526,Mg3BO6,-6.4722032895,-2.3561668707,0.2305933879,0.2305933879,GGA,P6_3/m,AB3C6_hP20_176_c_h_2h:B-Mg-O,20.0,AB3C6_hP20_176_c_h_2h:B-Mg-O +mp-1201208,Mg(BO2)12,-7.6072117176,-2.1890087346,0.2744525209,0.2744525209,GGA,P2_1/c,A12BC24_mP74_14_6e_a_12e:B-Mg-O,74.0,A12BC24_mP74_14_6e_a_12e:B-Mg-O +mp-1199652,MgBO3,-7.1618811777,-2.5379335868,0.1825161281,0.1825161281,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:B-Mg-O,40.0,ABC3_mP40_14_2e_2e_6e:B-Mg-O +mp-1185693,MgBO3,-6.330713882,-1.7067662911,1.0136834239,1.0136834239,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Mg-O,5.0,ABC3_cP5_221_b_a_c:B-Mg-O +mp-1181233,Mg(BO4)4,-6.1777089781,-1.0603343822,0.6145071762000001,0.6145071762000001,GGA,P2_1/c,A4BC16_mP84_14_4e_e_ac15e:B-Mg-O,84.0,A4BC16_mP84_14_4e_e_ac15e:B-Mg-O +mp-1212380,Mg(BO4)4,-5.7675814062,-0.6502068103,1.0246347481,1.0246347481,GGA,P2_1/c,A4BC16_mP84_14_4e_e_ab15e:B-Mg-O,84.0,A4BC16_mP84_14_4e_e_ad15e:B-Mg-O +mp-1181701,MgB3O13,-5.9398427356,-0.8842304645,0.7617615753,0.7617615753,GGA,P2_1/c,A3BC13_mP68_14_3e_e_13e:B-Mg-O,68.0,A3BC13_mP68_14_3e_e_13e:B-Mg-O +mp-1204849,MgB3O13,-5.9137324487,-0.8581201776,0.7878718622,0.7878718622,GGA,P2_1/c,A3BC13_mP68_14_3e_e_13e:B-Mg-O,68.0,A3BC13_mP68_14_3e_e_13e:B-Mg-O +mp-1181440,Mg(B3O8)2,-6.709062046,-1.4558598697,0.6817823546,0.6817823546,GGA,P2_1/c,A6BC16_mP92_14_6e_ad_16e:B-Mg-O,92.0,A6BC16_mP92_14_6e_ad_16e:B-Mg-O +mp-1202817,Mg(B3O8)2,-6.5896978196,-1.3364956433,0.801146581,0.801146581,GGA,P2_1/c,A6BC16_mP92_14_6e_ad_16e:B-Mg-O,92.0,A6BC16_mP92_14_6e_ad_16e:B-Mg-O +mp-1033223,HfMg6BO7,-6.3051909867,-2.247518848,0.6995679444,0.6995679444,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:B-Hf-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:B-Hf-Mg-O, expected HfMg10BO11 to be HfMg6BO7" +mp-1033263,HfMg6BO7,-6.4079168427,-2.350244704,0.5968420884,0.5968420884,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:B-Hf-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:B-Hf-Mg-O, expected HfMg10BO11 to be HfMg6BO7" +mp-1033290,HfMg6BO7,-6.2996430553,-2.2419709167,0.7051158757,0.7051158757,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:B-Hf-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:B-Hf-Mg-O, expected HfMg10BO11 to be HfMg6BO7" +mp-1033374,HfMg6BO7,-6.4520812627,-2.394409124,0.5526776684,0.5526776684,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:B-Hf-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:B-Hf-Mg-O, expected HfMg10BO11 to be HfMg6BO7" +mp-14234,MgB4O7,-8.1763617366,-2.9309727272,0.0,-0.0481897088,GGA,Pbca,A4BC7_oP96_61_4c_c_7c:B-Mg-O,96.0,A4BC7_oP96_61_4c_c_7c:B-Mg-O +mp-5005,Mg3(BO3)2,-7.3864290305,-3.0373603069,0.0,-0.008944148,GGA,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Mg-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_af_g2h:B-Mg-O, expected Mg3(BO5)2 to be Mg3(BO3)2" +mp-1222279,LiHoS2,-5.71489329,-2.0238354224,0.0786581175,0.0215450535,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ho-Li-S,4.0,ABC2_tP4_123_a_d_bc:Ho-Li-S +mp-15790,LiHoS2,-5.7935514075,-2.1024935399,0.0,-0.057113064,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-Li-S,4.0,ABC2_hR12_166_a_b_c:Ho-Li-S +mp-1211053,LiSO4,-6.1424846417,-1.8371300452,0.0850434595,0.0850434595,GGA,P6_3,AB4C_hP12_173_b_bc_b:Li-O-S,12.0,AB4C_hP12_173_b_bc_b:Li-O-S +mp-12670,Ho2SO2,-8.238520174,-3.5995911681,0.0,-0.1198547223,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ho-O-S,5.0,A2B2C_hP5_164_d_d_a:Ho-O-S +mp-756922,Ho2SO2,-8.229626405,-3.5906973991,0.008893769,-0.1109609533,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_b:Ho-O-S,10.0,A2B2C_hP10_194_f_f_b:Ho-O-S +mp-1188639,Li2SO5,-5.8253734656,-1.7394060711,0.2837091036,0.2837091036,GGA,P2_1,A2B5C_mP16_4_2a_5a_a:Li-O-S,16.0,A2B5C_mP16_4_2a_5a_a:Li-O-S +mp-1210949,LiHo(SO4)2,-6.9277122921,-2.3995671954,0.165728918,0.165728918,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Ho-Li-O-S,24.0,ABC8D2_tP24_118_c_d_2i_f:Ho-Li-O-S +mp-768800,Ho2(SO4)3,-7.4286601309,-2.667811197,0.0017291162,-0.367043231,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Ho-O-S,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c2d:Ho-O-S, expected Ho(SO7)3 to be Ho2(SO4)3" +mp-768978,Ho2(SO4)3,-7.4303892471,-2.6695403132,0.0,-0.3687723471,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Ho-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_11f_e:Ho-O-S, expected Ho2(SO22)3 to be Ho2(SO4)3" +mp-1207296,Li(HoS2)3,-3.39320064,0.6542842278000001,2.687047104,2.687047104,GGA,Cmmm,A3BC6_oC20_65_de_a_kp:Ho-Li-S,10.0,A3BC6_oC20_65_de_a_kp:Ho-Li-S +mp-1212747,Ho2S3O20,-5.9485411746,-1.128223512,0.687063901,0.687063901,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Ho-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Ho-O-S +mp-1020013,Li2S2O7,-6.3439680457,-2.0969165506,0.0,-0.0515933894,GGA,Pnma,A2B7C2_oP44_62_d_3c2d_2c:Li-O-S,44.0,A2B7C2_oP44_62_d_3c2d_2c:Li-O-S +mp-769118,HoSO,-7.5892746917,-3.034092209,0.0,-0.0344329022,GGA,Cmce,ABC_oC24_64_d_e_f:Ho-O-S,12.0,ABC_oC24_64_d_e_f:Ho-O-S +mp-676723,Li2SO4,-6.1675305,-2.2045232935,0.1076083346,-0.1150841441,GGA,P1,A2B4C_aP14_1_4a_8a_2a:Li-O-S,14.0,A2B4C_aP14_1_4a_8a_2a:Li-O-S +mp-4556,Li2SO4,-6.2751388346,-2.3121316282,0.0,-0.2226924787,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Li-O-S,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2e_9e_e:Li-O-S, expected Li2SO9 to be Li2SO4" +mp-558382,Li2SO4,-6.2202084971,-2.2572012907,0.0549303375,-0.1677621412,GGA,Cmcm,A2B4C_oC28_63_ac_fg_c:Li-O-S,14.0,"Invalid WP multiplicities - A2B4C_oC28_63_2a2c_3f3g_c:Li-O-S, expected Li4SO12 to be Li2SO4" +mp-1222624,Li2SO4,-6.0075037557,-2.0444965493,0.2676350789,0.0449426002,GGA,F-43m,A2B4C_cF28_216_ab_e_c:Li-O-S,7.0,A2B4C_cF28_216_ab_e_c:Li-O-S +mp-16848,Tl3PS4,-4.3074761437,-0.6765972170000001,0.0,-0.0593633122,GGA,Pnma,AB4C3_oP32_62_c_2cd_cd:P-S-Tl,32.0,AB4C3_oP32_62_c_2cd_cd:P-S-Tl +mp-8249,TlPS3,-4.665118756,-0.6280597052,0.0,-0.0248683473,GGA,Immm,AB3C_oI20_71_g_el_f:P-S-Tl,10.0,"Invalid WP multiplicities - AB3C_oI20_71_g_e2l_f:P-S-Tl, expected TlPS5 to be TlPS3" +mp-28217,Tl2PS3,-4.4119337282,-0.6539439948,0.0,-0.0064574953,GGA,Pbca,AB3C2_oP96_61_2c_6c_4c:P-S-Tl,96.0,AB3C2_oP96_61_2c_6c_4c:P-S-Tl +mp-1194591,NdTlP2S7,-5.3337926682,-1.0690158809,0.0,-0.0204736381,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Nd-P-S-Tl,44.0,AB2C7D_mP44_14_e_2e_7e_e:Nd-P-S-Tl +mp-3664,NdTlS2,-5.5530572375,-1.7021346593,0.0,-0.0346870807,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-S-Tl,4.0,AB2C_hR12_166_a_c_b:Nd-S-Tl +mp-3694,NdPS4,-5.8534859252,-1.3989443574,0.0,-0.1056946015,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Nd-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_ab_e_3g:Nd-P-S, expected NdPS6 to be NdPS4" +mp-1191667,NdPS,-6.4944902388,-1.7218569701000002,0.0,-0.0615793185,GGA,Pnma,ABC_oP24_62_2c_d_2c:Nd-P-S,24.0,ABC_oP24_62_2c_d_2c:Nd-P-S +mp-1226931,Co2Cu3(CN)12,-7.7422590831,0.4403678345,0.4505585572,0.4505585572,GGA,P-4m2,A12B2C3D12_tP29_115_2gl_g_ag_2gl:C-Co-Cu-N,29.0,"Invalid WP multiplicities - A12B2C3D12_tP29_115_4g3l_g_ag_4g3l:C-Co-Cu-N, expected Co2Cu3(CN)32 to be Co2Cu3(CN)12" +mp-1246956,Co2CuN2,-6.75244416,0.245322262,0.304428454,0.304428454,GGA,Pmmn,A2BC2_oP10_59_e_a_e:Co-Cu-N,10.0,A2BC2_oP10_59_e_a_e:Co-Cu-N +mp-1246591,Co2CuN2,-6.8922108,0.105555622,0.164661814,0.164661814,GGA,R-3m,A2BC2_hR15_166_c_a_c:Co-Cu-N,5.0,A2BC2_mC10_12_i_a_i:Co-Cu-N +mp-1247509,Co5CuN4,-7.174712239,0.1239652955,0.1841682885,0.1841682885,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Co-Cu-N,20.0,A5BC4_oP20_59_ag_b_ef:Co-Cu-N +mp-3421,CuCN2,-7.3122923025,0.1879232006,0.1879232006,0.1879232006,GGA,Cmcm,ABC2_oC16_63_c_a_f:C-Cu-N,8.0,ABC2_oC16_63_c_a_f:C-Cu-N +mp-35308,CuCN,-6.9827393333,0.2387163625,0.2387163625,0.2387163625,GGA,R3m,ABC_hR9_160_a_a_a:C-Cu-N,3.0,ABC_hR9_160_a_a_a:C-Cu-N +mp-728004,Mn(NO5)2,-6.370384671,-0.5779314206,0.207705282,0.207705282,GGA+U,P2_1/c,AB2C10_mP52_14_e_2e_10e:Mn-N-O,52.0,AB2C10_mP52_14_e_2e_10e:Mn-N-O +mp-1221848,Mn8NO16,-7.952441084,-1.5212556183,0.2457907506,0.2457907506,GGA+U,P-1,A8BC16_aP25_2_4i_a_8i:Mn-N-O,25.0,"Invalid WP multiplicities - A8BC16_aP25_2_6i_a_12i:Mn-N-O, expected Mn12NO24 to be Mn8NO16" +mp-542070,Mn(NO3)2,-7.2926167336,-1.1242681325,0.0,-0.0639565044,GGA+U,Pa-3,AB2C6_cP36_205_a_c_d:Mn-N-O,36.0,AB2C6_cP36_205_a_c_d:Mn-N-O +mp-1201350,Mn(N2O5)2,-6.886656438,-0.7549976310000001,0.1944145982,0.1944145982,GGA+U,Pca2_1,AB4C10_oP120_29_2a_8a_20a:Mn-N-O,120.0,AB4C10_oP120_29_2a_8a_20a:Mn-N-O +mp-1247435,Mn3Bi3N5,-7.2746199977,0.0608334469,0.3216564395,0.3216564395,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Bi-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Bi-Mn-N +mp-1180875,Mn(N3O8)2,-5.974665878,0.0395951751,0.8713034405000001,0.8713034405000001,GGA+U,P2_1/c,AB6C16_mP46_14_a_3e_8e:Mn-N-O,46.0,AB6C16_mP46_14_a_3e_8e:Mn-N-O +mp-1204446,Mn(N3O8)2,-5.6995516761000005,0.314709377,1.1464176425,1.1464176425,GGA+U,P2_1/c,AB6C16_mP46_14_a_3e_8e:Mn-N-O,46.0,AB6C16_mP46_14_a_3e_8e:Mn-N-O +mp-780939,Mn(NO3)4,-6.8749870228,-0.8827364624,0.0,-0.0216608558,GGA+U,P-1,AB4C12_aP68_2_2i_8i_24i:Mn-N-O,68.0,"Invalid WP multiplicities - AB4C12_aP68_2_3i_15i_47i:Mn-N-O, expected Mn3N15O47 to be Mn(NO3)4" +mp-559323,Mn4Bi3NO15,-7.3375769887,-1.6546920256000002,0.0,-0.0375816204,GGA+U,P3,A3B4CD15_hP23_143_3b_2a2c_a_5d:Bi-Mn-N-O,23.0,"Invalid WP multiplicities - A3B4CD15_hP23_149_bg_h2i_c_3j6l:Bi-Mn-N-O, expected Mn6Bi3NO45 to be Mn4Bi3NO15" +mp-565428,Mn4Bi3NO15,-7.3275147874,-1.6446298243,0.0100622013,-0.0275194191,GGA+U,P312,A3B4CD15_hP23_149_bg_hi_c_j2l:Bi-Mn-N-O,23.0,"Invalid WP multiplicities - A3B4CD15_hP23_149_bg_h2i_c_3j6l:Bi-Mn-N-O, expected Mn6Bi3NO45 to be Mn4Bi3NO15" +mp-1210626,Mn4NO8,-7.7904625562,-1.2859959574,0.4374938747,0.4374938747,GGA+U,I4/m,A4BC8_tI26_87_h_a_2h:Mn-N-O,13.0,A4BC8_tI26_87_h_a_2h:Mn-N-O +mp-1192857,MnNO4,-6.9093170892,-0.6951062455,0.5997643879,0.5997643879,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Mn-N-O,24.0,ABC4_oP24_62_c_c_2cd:Mn-N-O +mp-731602,MnNO4,-5.8677019692,0.3465088745,1.6413795079,1.6413795079,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Mn-N-O,24.0,ABC4_oP24_62_c_c_2cd:Mn-N-O +mp-1202892,MnNO5,-7.0106879416,-0.9775516883,0.1391134219,0.1391134219,GGA+U,P2_1/c,ABC5_mP56_14_2e_2e_10e:Mn-N-O,56.0,ABC5_mP56_14_2e_2e_10e:Mn-N-O +mp-25946,Sb2P5O16,-7.3671367785,-2.390113544,0.0056105598,0.0056105598,GGA,Pc,A16B5C2_mP46_7_16a_5a_2a:O-P-Sb,46.0,"Invalid WP multiplicities - A16B5C2_mP46_7_32a_9a_2a:O-P-Sb, expected Sb2P9O32 to be Sb2P5O16" +mp-766885,Sb3PO7,-6.7566808053,-1.9905783321,0.0912442383,0.0912442383,GGA,Cm,A7BC3_mC132_8_12a15b_6a_9b:O-P-Sb,66.0,A7BC3_mC132_8_12a15b_6a_9b:O-P-Sb +mp-9750,SbPO5,-7.15483662,-2.258301291,0.0,-0.0990702954,GGA,C2/c,A5BC_mC28_15_e2f_e_a:O-P-Sb,14.0,A5BC_mC28_15_e2f_e_c:O-P-Sb +mp-1043556,SbPO5,-7.1092613879,-2.2127260589,0.0455752321,-0.0534950633,GGA,Fdd2,A5BC_oF112_43_5b_b_b:O-P-Sb,28.0,"Invalid WP multiplicities - A5BC_oF112_70_2e8h_e_c:O-P-Sb, expected SbPO18 to be SbPO5" +mp-1045606,Sb(PO3)4,-7.3863225968,-2.3779416673,0.0317118918,0.0317118918,GGA,P-1,A12B4C_aP34_2_12i_4i_bc:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_aP34_2_22i_7i_bc:O-P-Sb, expected SbP7O22 to be Sb(PO3)4" +mp-504341,Sb(PO3)4,-7.3684402641,-2.3600593346,0.0495942244,0.0495942244,GGA,P2_1,A12B4C_mP34_4_12a_4a_a:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mP34_4_23a_8a_a:O-P-Sb, expected SbP8O23 to be Sb(PO3)4" +mp-504350,Sb(PO3)4,-7.3753439618,-2.3669630323,0.0426905268,0.0426905268,GGA,P2_1,A12B4C_mP34_4_12a_4a_a:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mP34_4_23a_6a_a:O-P-Sb, expected SbP6O23 to be Sb(PO3)4" +mp-684083,Sb(PO3)4,-7.3489746821,-2.3405937525,0.0690598065,0.0690598065,GGA,C2/m,A12B4C_mC68_12_gi5j_2j_e:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mC68_12_2g2i17j_5j_f:O-P-Sb, expected Sb(P5O19)2 to be Sb(PO3)4" +mp-765584,Sb(PO3)4,-7.3268113276,-2.3184303981,0.0912231609,0.0912231609,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_mP68_14_47e_13e_e:O-P-Sb, expected SbP13O47 to be Sb(PO3)4" +mp-673069,Sb(PO3)4,-7.3676979525,-2.359317023,0.050336536,0.050336536,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_mP68_14_46e_12e_e:O-P-Sb, expected Sb(P6O23)2 to be Sb(PO3)4" +mp-26150,Sb(PO3)4,-7.3618997238,-2.3535187943,0.0561347647,0.0561347647,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_mP68_14_48e_14e_e:O-P-Sb, expected Sb(P7O24)2 to be Sb(PO3)4" +mp-684426,Sb(PO3)4,-7.3668093447,-2.3584284152,0.0512251438,0.0512251438,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_mP68_14_44e_13e_e:O-P-Sb, expected SbP13O44 to be Sb(PO3)4" +mp-757808,Sb(PO3)4,-7.3670644171,-2.3586834875,0.0509700715,0.0509700715,GGA,C2/c,A12B4C_mC68_15_6f_2f_c:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_23f_5f_c:O-P-Sb, expected Sb(P5O23)2 to be Sb(PO3)4" +mp-26952,Sb(PO3)4,-7.3833499668,-2.3749690373,0.0346845218,0.0346845218,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_5f_e:O-P-Sb, expected Sb(P5O19)2 to be Sb(PO3)4" +mp-672950,Sb(PO3)4,-7.3632121091,-2.3548311796,0.0548223794,0.0548223794,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Sb,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_22f_6f_e:O-P-Sb, expected Sb(P3O11)4 to be Sb(PO3)4" +mp-26542,Sb(PO3)4,-7.3811598775,-2.372778948,0.036874611,0.036874611,GGA,C222_1,A12B4C_oC136_20_12c_ab3c_c:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_oC136_20_47c_2ab12c_c:O-P-Sb, expected Sb2P27O94 to be Sb(PO3)4" +mp-672963,Sb(PO3)4,-7.3798071497,-2.3714262202,0.0382273388,0.0382273388,GGA,Pbcn,A12B4C_oP68_60_6d_2d_c:O-P-Sb,68.0,"Invalid WP multiplicities - A12B4C_oP68_60_44d_8d_c:O-P-Sb, expected Sb(P2O11)8 to be Sb(PO3)4" +mp-1179573,SbPO6,-6.4307688788,-1.527964377,0.4480492527,0.4480492527,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-P-Sb,32.0,A6BC_mP32_14_6e_e_e:O-P-Sb +mp-1204861,SbPO6,-6.1651171606,-1.2623126589,0.7137009708000001,0.7137009708000001,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-P-Sb,32.0,A6BC_mP32_14_6e_e_e:O-P-Sb +mp-554631,Sb2(PO4)3,-7.2434484232,-2.3106146271,0.0243170479,0.0243170479,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-P-Sb,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_46e_10e_6e:O-P-Sb, expected Sb3P5O23 to be Sb2(PO4)3" +mp-772303,Sb2(PO4)3,-7.2477630071,-2.3149292109,0.0200024641,0.0200024641,GGA,R-3,A12B3C2_hR102_148_4f_f_2c:O-P-Sb,34.0,"Invalid WP multiplicities - A12B3C2_hR102_148_17f_f_2c:O-P-Sb, expected Sb2(PO17)3 to be Sb2(PO4)3" +mp-1101490,Sb3(PO4)4,-7.1075209712,-2.1863369222,0.154157963,0.154157963,GGA,P1,A16B4C3_aP69_1_48a_12a_9a:O-P-Sb,69.0,A16B4C3_aP69_1_48a_12a_9a:O-P-Sb +mp-1101485,Sb(PO3)5,-7.3239053836,-2.3050556482,0.0742239312,0.0742239312,GGA,P2_1/m,A15B5C_mP42_11_3e6f_e2f_a:O-P-Sb,42.0,"Invalid WP multiplicities - A15B5C_mP42_11_5e14f_2e3f_a:O-P-Sb, expected SbP8O33 to be Sb(PO3)5" +mp-684537,Sb(PO3)5,-7.3151460618,-2.2962963264000003,0.082983253,0.082983253,GGA,P2_1/c,A15B5C_mP84_14_15e_5e_e:O-P-Sb,84.0,"Invalid WP multiplicities - A15B5C_mP84_14_56e_19e_e:O-P-Sb, expected SbP19O56 to be Sb(PO3)5" +mp-26746,SbP2O7,-7.2261850275,-2.2679423043,0.1206306395,0.0914150473,GGA,P-1,A7B2C_aP20_2_7i_2i_i:O-P-Sb,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_3i_i:O-P-Sb, expected SbP3O13 to be SbP2O7" +mp-26342,SbP2O7,-7.3123131695,-2.3540704463,0.0345024975,0.0052869053,GGA,P2_1,A7B2C_mP20_4_7a_2a_a:O-P-Sb,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_13a_3a_a:O-P-Sb, expected SbP3O13 to be SbP2O7" +mp-684496,SbP2O7,-7.203547375,-2.2453046518,0.143268292,0.1140526998,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sb,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_26e_6e_e:O-P-Sb, expected Sb(P3O13)2 to be SbP2O7" +mp-541668,SbP2O7,-7.346815666999999,-2.3885729438,0.0,-0.0292155922,GGA,P2_1/c,A7B2C_mP80_14_14e_4e_2e:O-P-Sb,80.0,A7B2C_mP80_14_14e_4e_2e:O-P-Sb +mp-25950,SbP2O7,-7.3067790312,-2.348536308,0.0400366357,0.0108210436,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sb,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_3e_e:O-P-Sb, expected Sb(PO9)3 to be SbP2O7" +mp-25896,SbP2O7,-7.218695856,-2.2604531328,0.128119811,0.0989042188,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sb,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_25e_3e_e:O-P-Sb, expected SbP3O25 to be SbP2O7" +mp-540379,SbP2O7,-7.2956129905,-2.3373702673,0.0512026765,0.0219870843,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sb,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_7e_e:O-P-Sb, expected SbP7O27 to be SbP2O7" +mp-1040924,SbP2O7,-7.1877441577,-2.2295014345,0.1590715092,0.1298559171,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sb,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_28e_5e_e:O-P-Sb, expected SbP5O28 to be SbP2O7" +mp-561057,SbP2O7,-7.3467457237,-2.3885030005,6.99432e-05,-0.0291456489,GGA,Pna2_1,A7B2C_oP80_33_14a_4a_2a:O-P-Sb,80.0,"Invalid WP multiplicities - A7B2C_oP80_33_49a_11a_6a:O-P-Sb, expected Sb6P11O49 to be SbP2O7" +mp-29922,Sb5PO10,-6.6923704252,-1.9720456865,0.0068638552,0.0068638552,GGA,P2_12_12_1,A10BC5_oP64_19_10a_a_5a:O-P-Sb,64.0,"Invalid WP multiplicities - A10BC5_oP64_19_13a_a_5a:O-P-Sb, expected Sb5PO13 to be Sb5PO10" +mp-1101576,Sb5(PO4)6,-7.1858968977,-2.276029746,0.0698694004,0.0698694004,GGA,P1,A24B6C5_aP35_1_24a_6a_5a:O-P-Sb,35.0,A24B6C5_aP35_1_24a_6a_5a:O-P-Sb +mp-1041240,Sb3P3O13,-7.1223664532,-2.2311104276,0.0890578253,0.0890578253,GGA,P2_1/m,A13B3C3_mP38_11_7e3f_3e_a2e:O-P-Sb,38.0,"Invalid WP multiplicities - A13B3C3_mP38_11_12e11f_3e_2a3e:O-P-Sb, expected Sb5P3O34 to be Sb3P3O13" +mp-3439,SbPO4,-7.2444337458,-2.3562573139,0.0,-0.1143713189,GGA,P2_1/m,A4BC_mP12_11_2ef_e_e:O-P-Sb,12.0,A4BC_mP12_11_2ef_e_e:O-P-Sb +mp-1044617,SbPO4,-7.0593647379,-2.171188306,0.1850690079,0.070697689,GGA,C2/c,A4BC_mC96_15_8f_2f_cef:O-P-Sb,48.0,"Invalid WP multiplicities - A4BC_mC96_15_30f_6f_2ce2f:O-P-Sb, expected Sb7(PO5)12 to be SbPO4" +mp-770401,SbPO4,-7.1873086121,-2.2991321801,0.0571251338,-0.0572461851,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-P-Sb,24.0,"Invalid WP multiplicities - A4BC_oP24_62_5c3d_c_c:O-P-Sb, expected SbPO11 to be SbPO4" +mp-766888,Sb9PO25,-6.5201082494,-1.7703502081,0.0504653237,0.0504653237,GGA,I-4,A25BC9_tI70_82_a6g_c_b2g:O-P-Sb,35.0,"Invalid WP multiplicities - A25BC9_tI70_82_a21g_c_b5g:O-P-Sb, expected Sb21PO85 to be Sb9PO25" +mp-1044841,Sb2P2O9,-7.0824694188,-2.1897920423,0.1137197208,0.1137197208,GGA,Pnma,A9B2C2_oP52_62_5c2d_2c_ac:O-P-Sb,52.0,"Invalid WP multiplicities - A9B2C2_oP52_62_7c2d_2c_ac:O-P-Sb, expected Sb2P2O11 to be Sb2P2O9" +mp-1208592,TaP2O7,-8.5075824457,-2.7764620835,0.0838727715,0.0838727715,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Ta,40.0,A7B2C_cP40_205_ad_c_b:O-P-Ta +mp-541740,TaPO5,-9.1109314025,-3.1102851607,0.0,-0.1790849638,GGA,P2_1/m,A5BC_mP28_11_ad4e2f_2e_2e:O-P-Ta,28.0,A5BC_mP28_11_ab4e2f_2e_2e:O-P-Ta +mp-1043568,TaPO5,-8.9913116904,-2.9906654485,0.1196197121,-0.0594652517,GGA,Fdd2,A5BC_oF112_43_5b_b_b:O-P-Ta,28.0,"Invalid WP multiplicities - A5BC_oF112_43_14b_b_b:O-P-Ta, expected TaPO14 to be TaPO5" +mp-1104527,TaPO5,-9.0605916829,-3.059945441,0.0503397196,-0.1287452442,GGA,P4/n,A5BC_tP14_85_cg_a_c:O-P-Ta,14.0,A5BC_tP14_85_cg_a_c:O-P-Ta +mp-15844,TaPO5,-9.0623149457,-3.0616687039,0.0486164568,-0.1304685071,GGA,P4/nmm,A5BC_tP14_129_ci_a_c:O-P-Ta,14.0,"Invalid WP multiplicities - A5BC_tP14_129_c2i_a_c:O-P-Ta, expected TaPO9 to be TaPO5" +mp-770481,Ta9PO25,-10.0412050897,-3.3040474052,0.0,-0.0128057789,GGA,I-4,A25BC9_tI70_82_a6g_c_b2g:O-P-Ta,35.0,"Invalid WP multiplicities - A25BC9_tI70_82_a19g_c_b5g:O-P-Ta, expected Ta21PO77 to be Ta9PO25" +mp-758374,Ta7(P2O7)8,-8.4411944648,-2.7876267262,0.0495020503,0.0495020503,GGA,R-3,A56B16C7_hR237_148_c9f_2c2f_ade:O-P-Ta,79.0,"Invalid WP multiplicities - A56B16C7_hR237_148_2c50f_3c8f_a2d2e:O-P-Ta, expected Ta13(P27O152)2 to be Ta7(P2O7)8" +mp-1218132,Ta3Sb(PO4)6,-8.4829159271,-2.8681312729,0.0,-0.0289573517,GGA,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Sb-Ta,34.0,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Sb-Ta +mp-1208647,Ta9P2O25,-9.6422165056,-2.941832576,0.2729636602,0.2729636602,GGA,I4/m,A25B2C9_tI72_87_a6h_d_b2h:O-P-Ta,36.0,A25B2C9_tI72_87_a6h_d_b2h:O-P-Ta +mp-727908,Ta(PO4)2,-8.3415487645,-2.6817403706,0.0738220528,0.0738220528,GGA,Pnma,A8B2C_oP44_62_4c2d_2c_c:O-P-Ta,44.0,A8B2C_oP44_62_4c2d_2c_c:O-P-Ta +mp-1013712,Ba3SbP,-3.363138898,-0.3032931847,0.7357523499,0.7357523499,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-P-Sb,5.0,A3BC_cP5_221_c_a_b:Ba-P-Sb +mp-1013737,Ba3SbP,-3.942252384,-0.8824066707,0.1566388639,0.1566388639,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-P-Sb,5.0,A3BC_cP5_221_c_b_a:Ba-P-Sb +mp-554481,Ba2Sb4P2O17,-7.0656468766,-2.4546761588,0.0026316991,0.0026316991,GGA,Pnma,A2B17C2D4_oP100_62_2c_7c5d_2c_acd:Ba-O-P-Sb,100.0,"Invalid WP multiplicities - A2B17C2D4_oP100_62_5c_28c38d_6c_3a4c4d:Ba-O-P-Sb, expected Ba5Sb15(P3O52)2 to be Ba2Sb4P2O17" +mp-821432,Ni(C2O3)2,-6.9595017514,-0.379962577,1.0967445367,1.0967445367,GGA+U,C2/c,A4BC6_mC44_15_2f_c_3f:C-Ni-O,22.0,A4BC6_mC44_15_2f_a_3f:C-Ni-O +mp-1211394,Ni(CO)6,-6.7124079977,0.2746890717,1.5242104757,1.5242104757,GGA+U,C2/c,A6BC6_mC52_15_3f_c_3f:C-Ni-O,26.0,"Invalid WP multiplicities - A6BC6_mC52_15_10f_a_10f:C-Ni-O, expected Ni(CO)20 to be Ni(CO)6" +mp-752591,NiCO4,-6.8087014571,-1.0094419542,0.3700964723,0.3700964723,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:C-Ni-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:C-Ni-O, expected NiCO13 to be NiCO4" +mp-19147,NiCO3,-7.625219773,-1.6554461118,0.0,-0.105751174,GGA+U,R-3c,ABC3_hR30_167_a_b_e:C-Ni-O,10.0,ABC3_hR30_167_a_b_e:C-Ni-O +mp-1021906,Mg6NiC,-2.8091379781,0.2671723309,0.3427867012,0.3427867012,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Ni, expected Mg12NiC to be Mg6NiC" +mp-1021900,Mg6NiC,-2.7836557025,0.2926546066,0.3682689768,0.3682689768,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Ni,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Ni +mp-10700,MgNi3C,-5.770199084,-0.1363279675,0.0,-0.0040002693,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Mg-Ni,5.0,ABC3_cP5_221_b_a_c:C-Mg-Ni +mp-1028369,Mg14NiC,-2.1690571181,0.1692380614,0.2177245013,0.2177245013,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Ni, expected Mg18NiC to be Mg14NiC" +mp-1028343,Mg14NiC,-2.0516951456,0.2866000339,0.3350864738,0.3350864738,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Ni, expected Mg26NiC to be Mg14NiC" +mp-1195870,Ni12C8O31,-7.19254752,-1.378070772,0.1120134898,0.1120134898,GGA+U,P-43m,A8B12C31_cP51_215_2e_h_acd2i:C-Ni-O,51.0,A8B12C31_cP51_215_2e_h_acd2i:C-Ni-O +mp-1036764,Mg30NiCO32,-6.2919227445,-2.8339345815,0.1251406488,0.1251406488,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:C-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:C-Mg-Ni-O, expected Mg110NiCO72 to be Mg30NiCO32" +mp-1036823,Mg30NiCO32,-6.2927294545,-2.8347412915,0.1243339388,0.1243339388,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:C-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:C-Mg-Ni-O, expected Mg90NiCO80 to be Mg30NiCO32" +mp-1105782,Ni(CO3)2,-6.774345455,-0.7835010181000001,0.7263059101,0.7263059101,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:C-Ni-O,18.0,A2BC6_mC36_15_f_e_3f:C-Ni-O +mp-1210376,Ni(CO3)2,-6.9489301097,-0.9580856728,0.5517212554,0.5517212554,GGA+U,Cccm,A2BC6_oC72_66_ik_be_gl2m:C-Ni-O,36.0,A2BC6_oC72_66_ik_be_gl2m:C-Ni-O +mp-1104034,Ni(CO2)2,-7.7747496729,-1.4855750286,0.0762458938,0.0762458938,GGA+U,P2_1/c,A2BC4_mP14_14_e_a_2e:C-Ni-O,14.0,A2BC4_mP14_14_e_a_2e:C-Ni-O +mp-836407,Ni(CO)4,-7.6207167657,-0.6783219329,0.5364276733000001,0.5364276733000001,GGA+U,Pa-3,A4BC4_cP72_205_cd_c_cd:C-Ni-O,72.0,A4BC4_cP72_205_cd_c_cd:C-Ni-O +mp-1031610,Mg6NiCO8,-6.1946843319,-2.1831848217,0.4909952012,0.4909952012,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:C-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:C-Mg-Ni-O, expected Mg6NiCO12 to be Mg6NiCO8" +mp-1031639,Mg6NiCO8,-6.1140143138,-2.1025148036,0.5716652194,0.5716652194,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:C-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:C-Mg-Ni-O, expected Mg6NiCO12 to be Mg6NiCO8" +mp-1034743,Mg14NiCO16,-6.2561150159,-2.6136230705,0.2504870906,0.2504870906,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:C-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:C-Mg-Ni-O, expected Mg18NiCO20 to be Mg14NiCO16" +mp-1034501,Mg14NiCO16,-6.2546301766,-2.6121382312,0.25197193,0.25197193,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:C-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:C-Mg-Ni-O, expected Mg30NiCO32 to be Mg14NiCO16" +mp-1078473,MnCO3,-8.63006146,-1.9839120763,0.030299367,-0.12976366,GGA+U,P-1,ABC3_aP10_2_i_i_3i:C-Mn-O,20.0,ABC3_mP10_13_e_f_eg:C-Mn-O +mp-690525,MnCO3,-8.578940629,-1.9327912453,0.081420198,-0.078642829,GGA+U,Cc,ABC3_mC20_9_a_a_3a:C-Mn-O,10.0,"Invalid WP multiplicities - ABC3_mC20_9_a_a_6a:C-Mn-O, expected MnCO6 to be MnCO3" +mp-1271783,MnCO3,-8.6304542665,-1.9843048828,0.0299065605,-0.1301564665,GGA+U,P2/c,ABC3_mP10_13_e_f_eg:C-Mn-O,20.0,ABC3_mP10_13_e_f_eg:C-Mn-O +mp-1180143,MnCO3,-8.3878587325,-1.7417093488000002,0.2725020945,0.1124390675,GGA+U,P2_1/c,ABC3_mP20_14_e_e_3e:C-Mn-O,20.0,ABC3_mP20_14_e_e_3e:C-Mn-O +mp-1180142,MnCO3,-7.615902367,-0.9697529833,1.04445846,0.884395433,GGA+U,C2/c,ABC3_mC20_15_e_a_ef:C-Mn-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_e_a_2e3f:C-Mn-O, expected MnCO8 to be MnCO3" +mp-695863,MnCO3,-7.321263836,-0.6751144523,1.339096991,1.179033964,GGA+U,C2/c,ABC3_mC20_15_e_a_ef:C-Mn-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_e_c_2e3f:C-Mn-O, expected MnCO8 to be MnCO3" +mp-18814,MnCO3,-8.660360827,-2.0142114433,0.0,-0.160063027,GGA+U,R-3c,ABC3_hR30_167_a_b_e:C-Mn-O,10.0,ABC3_hR30_167_a_b_e:C-Mn-O +mp-1213563,MnC5O8,-7.5645240951,-0.7874632062,0.8802965584,0.8802965584,GGA+U,Pbca,A5BC8_oP112_61_5c_c_8c:C-Mn-O,112.0,A5BC8_oP112_61_5c_c_8c:C-Mn-O +mp-762239,Mn(CO3)2,-8.0531791372,-1.68657041,0.0958849231,0.0958849231,GGA+U,P2_1/c,A2BC6_mP18_14_e_a_3e:C-Mn-O,18.0,"Invalid WP multiplicities - A2BC6_mP18_14_e_a_9e:C-Mn-O, expected Mn(CO9)2 to be Mn(CO3)2" +mp-1199252,Mn(CO3)2,-8.0378176711,-1.6712089439,0.1112463892,0.1112463892,GGA+U,P2_1/c,A2BC6_mP36_14_2e_ad_6e:C-Mn-O,36.0,A2BC6_mP36_14_2e_ab_6e:C-Mn-O +mp-721861,Mn(CO3)2,-7.5126522967,-1.1460435695,0.6364117636000001,0.6364117636000001,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:C-Mn-O,18.0,A2BC6_mC36_15_f_e_3f:C-Mn-O +mp-1189997,Mn(CO3)2,-7.6519600789,-1.2853513517,0.4971039814,0.4971039814,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:C-Mn-O,18.0,A2BC6_mC36_15_f_e_3f:C-Mn-O +mp-818615,Mn(CO3)2,-7.5618446467,-1.1952359195,0.5872194136000001,0.5872194136000001,GGA+U,P2_12_12_1,A2BC6_oP36_19_2a_a_6a:C-Mn-O,36.0,A2BC6_oP36_19_2a_a_6a:C-Mn-O +mp-1199524,Mn(CO3)2,-7.4098654508,-1.0432567237,0.7391986094,0.7391986094,GGA+U,P2_12_12_1,A2BC6_oP36_19_2a_a_6a:C-Mn-O,36.0,A2BC6_oP36_19_2a_a_6a:C-Mn-O +mp-754012,Mn(CO3)2,-8.0805945633,-1.7139858362,0.0684694969,0.0684694969,GGA+U,R-3,A2BC6_hR27_148_c_a_f:C-Mn-O,18.0,A2BC6_hR27_148_c_a_f:C-Mn-O +mp-573318,Mn2Pt(CO)12,-7.9938602319,-0.7901782189000001,0.5459406632,0.5459406632,GGA+U,P-1,A12B2C12D_aP27_2_6i_i_6i_a:C-Mn-O-Pt,27.0,"Invalid WP multiplicities - A12B2C12D_aP27_2_11i_i_10i_a:C-Mn-O-Pt, expected Mn2Pt(C11O10)2 to be Mn2Pt(CO)12" +mp-1210863,Mn(CO)6,-7.0128446169,0.2343969611,1.6219050311,1.6219050311,GGA+U,C2/m,A6BC6_mC26_12_ij_a_ij:C-Mn-O,13.0,"Invalid WP multiplicities - A6BC6_mC26_12_ij_a_2i3j:C-Mn-O, expected Mn(C3O8)2 to be Mn(CO)6" +mp-1212627,Mn(CO)6,-7.1192345142,0.1280070638,1.5155151337,1.5155151337,GGA+U,C2/c,A6BC6_mC52_15_3f_c_3f:C-Mn-O,26.0,"Invalid WP multiplicities - A6BC6_mC52_15_10f_a_10f:C-Mn-O, expected Mn(CO)20 to be Mn(CO)6" +mp-762590,Mn2(CO3)3,-8.2824140546,-1.8159693787,0.0492559937,0.0492559937,GGA+U,P1,A3B2C9_aP28_1_6a_4a_18a:C-Mn-O,28.0,A3B2C9_aP28_1_6a_4a_18a:C-Mn-O +mp-762671,Mn2(CO3)3,-8.2810787993,-1.8146341234,0.0505912491,0.0505912491,GGA+U,P-1,A3B2C9_aP28_2_3i_2i_9i:C-Mn-O,28.0,"Invalid WP multiplicities - A3B2C9_aP28_2_5i_3i_17i:C-Mn-O, expected Mn3C5O17 to be Mn2(CO3)3" +mp-758396,Mn2(CO3)3,-8.2675270418,-1.8010823659,0.0641430066,0.0641430066,GGA+U,R3,A3B2C9_hR84_146_2b_ab_6b:C-Mn-O,28.0,"Invalid WP multiplicities - A3B2C9_hR84_146_3b_a2b_15b:C-Mn-O, expected Mn7(CO5)9 to be Mn2(CO3)3" +mp-759142,Mn2(CO3)3,-8.262285071400001,-1.7958403955,0.069384977,0.069384977,GGA+U,P6_3/m,A3B2C9_hP28_176_h_f_hi:C-Mn-O,28.0,"Invalid WP multiplicities - A3B2C9_aP28_2_5i_3i_17i:C-Mn-O, expected Mn3C5O17 to be Mn2(CO3)3" +mp-1180381,Mn(C2O3)2,-7.6726307,-0.7856480155000001,0.854134249,0.854134249,GGA+U,R-3,A4BC6_hR99_148_2f_d_3f:C-Mn-O,33.0,A4BC6_hR99_148_2f_d_3f:C-Mn-O +mp-836079,Mn(CO)5,-8.0641629648,-0.7879096638,0.6104620645000001,0.6104620645000001,GGA+U,C2/c,A5BC5_mC88_15_5f_f_5f:C-Mn-O,44.0,A5BC5_mC88_15_5f_f_5f:C-Mn-O +mp-1199311,Mn(CO)5,-8.019440627,-0.7431873261,0.6551844023,0.6551844023,GGA+U,C2/c,A5BC5_mC88_15_5f_f_5f:C-Mn-O,44.0,A5BC5_mC88_15_5f_f_5f:C-Mn-O +mp-1178809,Yb2S3O20,-5.7040918442,-1.1271982288,0.443344031,0.443344031,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-S-Yb,,A20B3C2_mC100_15_10f_ef_f:O-S-Yb +mp-1197273,Yb2S3O20,-5.4544649622,-0.8775713468,0.692970913,0.692970913,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-S-Yb,,A20B3C2_mC100_15_10f_ef_f:O-S-Yb +mp-22399,Yb2S2O,-5.553968222,-2.294207221,0.205344652,0.205344652,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-S-Yb,,AB2C2_mP20_14_e_2e_2e:O-S-Yb +mp-12672,Yb2SO2,-5.870525038,-2.4487162681,0.4947438108,0.4947438108,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-S-Yb,,A2BC2_hP5_164_d_a_d:O-S-Yb +mp-552694,Yb2SO2,-4.950286932,-1.5284781621,1.4149819168,1.4149819168,GGA,P6/mmm,A2BC2_hP5_191_d_a_c:O-S-Yb,,A2BC2_hP5_191_d_a_c:O-S-Yb +mp-15509,Yb4Si2S3O7,-6.9144864731,-2.9116589882,0.0267253552,0.0267253552,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Yb,,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Yb +mp-1199459,Yb2(SO4)3,-6.712493364,-2.3096209702,0.0,-0.3412505757,GGA,R3c,A12B3C2_hR408_161_16b_4b_2a2b:O-S-Yb,,A12B3C2_hR408_161_16b_4b_2a2b:O-S-Yb +mp-17648,Yb5Si3SO12,-7.3040091098,-3.1387372101,0.1285711094,0.1285711094,GGA,P6_3/m,A12BC3D5_hP42_176_2hi_b_h_fh:O-S-Si-Yb,,A12BC3D5_hP42_176_2hi_b_h_fh:O-S-Si-Yb +mp-1306974,TiCo5O12,-7.0953772094,-1.3844135691,0.1007067761,0.1007067761,GGA+U,Cm,A5B12C_mC72_8_2a4b_8a8b_2a:Co-O-Ti,36.0,"Invalid WP multiplicities - A5B12C_mC36_8_2a4b_4a6b_a:Co-O-Ti, expected Ti(Co5O8)2 to be TiCo5O12" +mp-756754,TiCo5O12,-7.1302458572,-1.4192822169,0.0658381283,0.0658381283,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Co-O-Ti,36.0,A5B12C_mC36_12_agh_2i2j_c:Co-O-Ti +mp-1217061,TiCo3(BO4)2,-8.1784825486,-2.310429789,0.2360326879,0.2360326879,GGA+U,Pmc2_1,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Co-O-Ti,28.0,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Co-O-Ti +mp-504734,Ti3Co3O,-7.6810664743,-0.5441924534,0.5332576829,0.5332576829,GGA+U,Fd-3m,A3BC3_cF112_227_ce_d_f:Co-O-Ti,28.0,A3BC3_cF112_227_ce_d_f:Co-O-Ti +mp-758898,Ti6Co3O16,-8.7019582464,-2.7881612518,0.0981389892,0.0981389892,GGA+U,P2_1,A3B16C6_mP50_4_3a_16a_6a:Co-O-Ti,50.0,"Invalid WP multiplicities - A3B16C6_mP50_4_5a_32a_12a:Co-O-Ti, expected Ti12Co5O32 to be Ti6Co3O16" +mp-1179381,TiCoO3,-8.470397449,-2.5016222599,0.1293421925,0.1293421925,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Co-O-Ti,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Co-O-Ti, expected TiCoO6 to be TiCoO3" +mp-19424,TiCoO3,-8.5965849335,-2.6278097444,0.003154708,0.003154708,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Ti,20.0,AB3C_hR30_148_c_f_c:Co-O-Ti +mp-36765,Ti(CoO2)2,-8.2227303564,-2.2371757205,0.0092322471,0.0092322471,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Ti,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Co-O-Ti, expected Ti(CoO5)2 to be Ti(CoO2)2" +mp-1101114,Ti2CoO5,-8.9030653427,-2.9489721696,0.018479207,0.0068412645,GGA+U,P1,AB5C2_aP48_1_6a_30a_12a:Co-O-Ti,48.0,AB5C2_aP48_1_6a_30a_12a:Co-O-Ti +mp-753066,Ti2CoO5,-8.9215445497,-2.9674513766,0.0,-0.0116379425,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Co-O-Ti,32.0,AB5C2_oC32_63_c_c2f_f:Co-O-Ti +mp-1094102,TiCo3O8,-7.1966349109,-1.46380532,0.2230516157,0.2230516157,GGA+U,P1,A3B8C_aP96_1_24a_64a_8a:Co-O-Ti,96.0,A3B8C_aP96_1_24a_64a_8a:Co-O-Ti +mp-1290660,TiCo3O8,-7.3341193,-1.601289709,0.0855672267,0.0855672267,GGA+U,R3m,A3B8C_hR36_160_b_2a2b_a:Co-O-Ti,24.0,A3B8C_hR36_160_b_2a2b_a:Co-O-Ti +mp-753061,TiCo3O8,-7.3338111908,-1.6009815999,0.0858753358,0.0858753358,GGA+U,R-3m,A3B8C_hR36_166_d_ch_b:Co-O-Ti,24.0,A3B8C_hR36_166_d_ch_b:Co-O-Ti +mp-1101280,TiCo3O8,-7.3583844525,-1.6255548615,0.0613020742,0.0613020742,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-Ti,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-Ti, expected Ti(CoO10)3 to be TiCo3O8" +mp-1208717,Ti(BO)6,-7.6172840115,-1.6440551724,0.7524988464,0.7524988464,GGA,C2/m,A6B6C_mC26_12_ij_ij_a:B-O-Ti,13.0,"Invalid WP multiplicities - A6B6C_mC26_12_ij_2i3j_a:B-O-Ti, expected Ti(B3O8)2 to be Ti(BO)6" +mp-684065,Ti5(B6O13)2,-8.716252129899999,-2.9431342735,0.032867206,0.032867206,GGA,I4_1/acd,A12B26C5_tI344_142_3g_d6g_bg:B-O-Ti,172.0,"Invalid WP multiplicities - A12B26C5_tI344_142_38g_7d77g_4b4g:B-O-Ti, expected Ti10B76O161 to be Ti5(B6O13)2" +mp-9716,TiBO3,-8.884257016,-3.0012670317,0.0729435255,0.0729435255,GGA,R-3c,AB3C_hR30_167_a_e_b:B-O-Ti,10.0,AB3C_hR30_167_a_e_b:B-O-Ti +mp-753158,Ti(CoO3)2,-7.5369515667,-1.7822560251,0.1063375011,0.1063375011,GGA+U,C2/m,A2B6C_mC18_12_i_3i_a:Co-O-Ti,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_i_6i_a:Co-O-Ti, expected Ti(CoO6)2 to be Ti(CoO3)2" +mp-677065,TaOF3,-7.7402297732,-3.2324491244,0.2794600614,0.2794600614,GGA,P1,A3BC_aP25_1_15a_5a_5a:F-O-Ta,25.0,A3BC_aP25_1_15a_5a_5a:F-O-Ta +mp-1101316,TaOF3,-7.958431196,-3.4506505472,0.0612586386,0.0612586386,GGA,Immm,A3BC_oI10_71_af_b_c:F-O-Ta,5.0,"Invalid WP multiplicities - A3BC_oI10_71_a2f_b_c:F-O-Ta, expected TaOF5 to be TaOF3" +mp-1247828,AlOF,-7.1364861794,-3.6019050099000003,0.0223228717,0.0223228717,GGA,Pnma,ABC_oP36_62_cd_cd_cd:Al-F-O,36.0,"Invalid WP multiplicities - ABC_oP36_62_2c3d_2c3d_3c2d:Al-F-O, expected Al8O7F8 to be AlOF" +mp-1228805,AlOF3,-5.019368786,-2.1340284973,0.9622673053,0.9622673053,GGA,P4/mmm,AB3C_tP5_123_a_bf_c:Al-F-O,5.0,AB3C_tP5_123_a_bf_c:Al-F-O +mp-756593,Ta3(OF)5,-8.7472569292,-3.3730899074,0.0817566265,0.0817566265,GGA,Immm,A5B5C3_oI26_71_aef_bef_cf:F-O-Ta,13.0,"Invalid WP multiplicities - A5B5C3_oI26_71_a2ef_b2ef_cf:F-O-Ta, expected Ta3(OF)7 to be Ta3(OF)5" +mp-1214868,Al3(O2F)2,-7.1632225442,-3.2913958475,0.1472279617,0.1472279617,GGA,Pnma,A3B2C4_oP36_62_cd_d_2cd:Al-F-O,36.0,A3B2C4_oP36_62_cd_d_2cd:Al-F-O +mp-1218123,Ta6Al8O27F,-8.9718876512,-3.3389508276,0.0562819459,0.0562819459,GGA,P1,A8BC27D6_aP42_1_8a_a_27a_6a:Al-F-O-Ta,42.0,A8BC27D6_aP42_1_8a_a_27a_6a:Al-F-O-Ta +mp-1356023,Ta6Al8O27F,-4.1931942062,1.4397426174,4.8349753909,4.8349753909,GGA,P1,A8BC27D6_aP42_1_8a_a_27a_6a:Al-F-O-Ta,42.0,A8BC27D6_aP42_1_8a_a_27a_6a:Al-F-O-Ta +mp-1096807,Al(OF)3,-4.61469876,-1.1404017791,1.0712380798,1.0712380798,GGA,R3m,AB3C3_hR21_160_a_b_b:Al-F-O,7.0,AB3C3_hR21_160_a_b_b:Al-F-O +mp-1247830,Al23O17F35,-6.5883304183,-3.4264142044,0.2765790761,0.2765790761,GGA,Pm,A23B35C17_mP75_6_10a13b_9a26b_17a:Al-F-O,75.0,A23B35C17_mP75_6_10a13b_9a26b_17a:Al-F-O +mp-753747,Ta3O7F,-9.9326368118,-3.3770338267,0.0,-0.0146716677,GGA,Cmmm,AB7C3_oC22_65_a_chp_bg:F-O-Ta,11.0,"Invalid WP multiplicities - AB7C3_oC22_65_a_ch2p_bg:F-O-Ta, expected Ta3O11F to be Ta3O7F" +mp-1173127,Ta3O7F,-9.8778623582,-3.3222593731,0.0547744536,0.0401027859,GGA,Cmmm,AB7C3_oC22_65_c_ahp_bg:F-O-Ta,11.0,"Invalid WP multiplicities - AB7C3_oC22_65_c_ah2p_bg:F-O-Ta, expected Ta3O11F to be Ta3O7F" +mp-1217888,TaO2F,-9.26492954,-3.349271035,0.0699113414,0.0699113414,GGA,P4/mmm,AB2C_tP4_123_a_e_b:F-O-Ta,4.0,AB2C_tP4_123_a_e_b:F-O-Ta +mp-33997,TaO2F,-9.2485600863,-3.3329015813,0.0862807952,0.0862807952,GGA,P4_2/mmc,AB2C_tP8_131_c_de_a:F-O-Ta,8.0,AB2C_tP8_131_c_de_a:F-O-Ta +mp-753774,KTmO2,-7.035986135,-3.1660831868,0.0,-0.1395380034,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Tm,4.0,AB2C_hR12_166_a_c_b:K-O-Tm +mp-1184949,KTmO3,-6.441807396,-2.3565472952,0.2474552408,0.2474552408,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Tm,5.0,AB3C_cP5_221_a_c_b:K-O-Tm +mp-16598,K3TmSi2O7,-7.1962496505,-3.097442781,0.0,-0.0655125723,GGA,P6_3/mcm,A3B7C2D_hP78_193_bck_gkl_k_ad:K-O-Si-Tm,78.0,"Invalid WP multiplicities - A3B7C2D_hP78_193_2bc2k_gkl_k_2ad:K-O-Si-Tm, expected K16Tm4(Si2O7)3 to be K3TmSi2O7" +mp-3281,Al5BO9,-8.0292054517,-3.3673741635,0.0,-0.0212320907,GGA,Cmc2_1,A5BC9_oC60_36_3ab_a_5a2b:Al-B-O,30.0,"Invalid WP multiplicities - A5BC9_oC60_36_3a2b_a_7a3b:Al-B-O, expected Al7BO13 to be Al5BO9" +mp-556804,PrAl3(BO3)4,-8.3365746748,-3.2318014316,0.0065856929,0.0065856929,GGA,C2/c,A3B4C12D_mC80_15_ef_2f_6f_e:Al-B-O-Pr,40.0,"Invalid WP multiplicities - A3B4C12D_mC80_15_2e3f_8f_24f_e:Al-B-O-Pr, expected PrAl8(BO3)16 to be PrAl3(BO3)4" +mp-8110,AlBO3,-8.17212798,-3.1191212331,0.0328901956,0.0328901956,GGA,R-3c,ABC3_hR30_167_b_a_e:Al-B-O,10.0,ABC3_hR30_167_b_a_e:Al-B-O +mp-1182901,Al6B5O18,-7.6889045748,-2.6919800701,0.3433698387,0.3433698387,GGA,P6_3/m,A6B5C18_hP58_176_i_fh_2h2i:Al-B-O,58.0,A6B5C18_hP58_176_i_fh_2h2i:Al-B-O +mp-1214854,Al6B5O18,-7.9163610702,-2.9194365655,0.1159133433,0.1159133433,GGA,P6_3/m,A6B5C18_hP58_176_i_fh_2h2i:Al-B-O,58.0,A6B5C18_hP58_176_i_fh_2h2i:Al-B-O +mp-1247923,Al4B2O9,-7.8602114188,-3.0027924013,0.2621773602,0.2556826336,GGA,P-1,A4B2C9_aP60_2_abdf6i_4i_18i:Al-B-O,60.0,"Invalid WP multiplicities - A4B2C9_aP60_2_abdf12i_7i_35i:Al-B-O, expected Al2BO5 to be Al4B2O9" +mp-1247834,Al4B2O9,-7.841034826,-2.9836158085,0.281353953,0.2748592264,GGA,P2/m,A4B2C9_mP15_10_cdn_n_b2m2n:Al-B-O,15.0,"Invalid WP multiplicities - A4B2C9_mP15_10_bem_m_c4m3n:Al-B-O, expected Al4B2O15 to be Al4B2O9" +mp-1229135,Al4B2O9,-8.122388779,-3.2649697615,0.0,-0.0064947266,GGA,C2/m,A4B2C9_mC120_12_ef4ij_4i_10i4j:Al-B-O,,A4B2C9_mC120_12_ef4ij_4i_10i4j:Al-B-O +mp-31408,Al4(B2O5)3,-8.2545958136,-3.0842364291,0.0,-0.0057266977,GGA,R3,A4B6C15_hR75_146_ab_2b_5b:Al-B-O,25.0,"Invalid WP multiplicities - A4B6C15_hR75_146_ab_2b_8b:Al-B-O, expected Al2(BO4)3 to be Al4(B2O5)3" +mp-17895,K3BeF5,-5.0850874,-3.2375313396,0.0014052217,0.0014052217,GGA,I4/mcm,AB5C3_tI36_140_b_cl_ah:Be-F-K,18.0,"Invalid WP multiplicities - AB5C3_tI36_140_b_c2l_ah:Be-F-K, expected K3BeF9 to be K3BeF5" +mp-1192639,K2BeF4,-5.2679403696,-3.3242079941,0.0013045782,-0.0247437696,GGA,Pna2_1,AB4C2_oP28_33_a_4a_2a:Be-F-K,28.0,AB4C2_oP28_33_a_4a_2a:Be-F-K +mp-5185,K2BeF4,-5.2692449479,-3.3255125723,0.0,-0.0260483479,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-F-K,28.0,AB4C2_oP28_62_c_2cd_2c:Be-F-K +mp-9726,SrBeF4,-6.1000889267,-3.9209518953,0.0,-0.0283438331,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Be-F-Sr,24.0,AB4C_mP24_14_e_4e_e:Be-F-Sr +mp-12626,K2SrBe2F8,-5.6502572262,-3.5978765479,0.0026703385,0.0026703385,GGA,R-3m,A2B8C2D_hR39_166_c_ch_c_a:Be-F-K-Sr,13.0,"Invalid WP multiplicities - A2B8C2D_hR39_166_c_c2h_c_a:Be-F-K-Sr, expected K2SrBe2F14 to be K2SrBe2F8" +mp-1211678,KBeF3,-5.52779316,-3.4109434171,0.0,-0.0172873143,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:Be-F-K,20.0,AB3C_oP20_19_a_3a_a:Be-F-K +mp-1198206,ReNCl4,-4.7925373267,-0.0966758683,0.8198061488,0.8198061488,GGA,P2_1/m,A4BC_mP36_11_4e4f_ef_ef:Cl-N-Re,36.0,A4BC_mP36_11_4e4f_ef_ef:Cl-N-Re +mp-568100,ReNCl4,-5.576175785,-0.8803143267,0.0361676905,0.0361676905,GGA,I4,A4BC_tI12_79_c_a_a:Cl-N-Re,6.0,A4BC_tI12_79_c_a_a:Cl-N-Re +mp-23098,ReNClF5,-5.9588250669,-1.9354558659,0.026252356,0.026252356,GGA,P2_1/m,AB5CD_mP16_11_e_e2f_e_e:Cl-F-N-Re,16.0,"Invalid WP multiplicities - AB5CD_mP16_11_e_e3f_e_e:Cl-F-N-Re, expected ReNClF7 to be ReNClF5" +mp-1207020,Re(NCl3)2,-4.1444969511,0.3231404928,1.1486151489,1.1486151489,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Re,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Re +mp-647727,Re2N2ClF9,-6.2882087932,-1.9586451084,0.0110553922,0.0110553922,GGA,Pnma,AB9C2D2_oP56_62_c_3c3d_2c_2c:Cl-F-N-Re,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_12c19d_5c_6c:Cl-F-N-Re, expected Re6N5ClF50 to be Re2N2ClF9" +mp-28012,ReNF6,-5.9742063647,-1.9429693753,0.2253486934,0.2253486934,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:F-N-Re,32.0,A6BC_mP32_14_6e_e_e:F-N-Re +mp-1111221,K2NaTaI6,-3.541329689,-1.1171997973,0.1781830657,0.1781830657,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Ta +mp-1112313,CsK2RuF6,-4.889521004,-2.5035733429,0.106980266,0.106980266,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ru +mp-1112583,Cs2KRuF6,-4.996857321,-2.6324093174,0.0,-0.0634798988,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ru,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ru +mp-1110958,K3GaI6,-2.720593789,-1.2006446927,0.1812049822,0.1812049822,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ga-I-K,10.0,AB6C3_cF40_225_a_e_bc:Ga-I-K +mp-29402,KGaI4,-2.8378776454,-1.1658842505,0.0,-0.0492093658,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ga-I-K,24.0,AB4C_mP24_14_e_4e_e:Ga-I-K +mp-1112466,K2GaAgI6,-2.67844084,-0.986276038,0.1535875372,0.1535875372,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-K +mp-569943,K2AgI3,-2.8754097125,-1.2965008879,0.0059867575,0.0059867575,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-I-K,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_7c_2c:Ag-I-K, expected K2AgI7 to be K2AgI3" +mp-684592,HN,-5.840806735,0.02380375,0.3055913808,0.3055913808,GGA,P-1,AB_aP32_2_8i_8i:H-N,32.0,AB_aP32_2_15i_15i:H-N +mp-1224501,HN,-5.9540119047,-0.0894014197,0.1923862111,0.1923862111,GGA,P-1,AB_aP32_2_8i_8i:H-N,32.0,AB_aP32_2_8i_8i:H-N +mp-720515,HN,-5.9985534775,-0.1339429925,0.1478446383,0.1478446383,GGA,P2_1/c,AB_mP40_14_5e_5e:H-N,40.0,AB_mP40_14_5e_5e:H-N +mp-23922,HN,-6.1052600303,-0.2406495453,0.0411380855,0.0411380855,GGA,Pmna,AB_oP32_53_2i_abegh:H-N,32.0,AB_oP32_53_2i_abegh:H-N +mp-1238814,H4N,-4.395113578,-0.013633757,0.3245114,0.3245114,GGA,P-43m,A4B_cP5_215_e_a:H-N,5.0,A4B_cP5_215_e_a:H-N +mp-1184037,CsH5N2,-4.7245369584,-0.4080341526,0.0108949659,-0.0258241541,GGA,Pnma,AB5C2_oP32_62_c_3cd_2c:Cs-H-N,32.0,AB5C2_oP32_62_c_3cd_2c:Cs-H-N +mp-1198227,CsH5N2,-4.7354319244,-0.4189291185,0.0,-0.03671912,GGA,Pnma,AB5C2_oP32_62_c_3cd_2c:Cs-H-N,32.0,AB5C2_oP32_62_c_3cd_2c:Cs-H-N +mp-643432,H3N,-5.034613195,-0.40594493,0.0167365162,-0.2856201573,GGA,P2_12_12_1,A3B_oP16_19_3a_a:H-N,16.0,A3B_oP16_19_3a_a:H-N +mp-779689,H3N,-5.0293973969,-0.4007291319,0.0219523144,-0.2804043592,GGA,P2_13,A3B_cP16_198_b_a:H-N,16.0,A3B_cP16_198_b_a:H-N +mp-29145,H3N,-5.0513497113,-0.4226814463,0.0,-0.3023566736,GGA,P2_13,A3B_cP16_198_b_a:H-N,16.0,A3B_cP16_198_b_a:H-N +mp-1204552,Cs3Ge9(H3N)2,-4.3046598861,-0.2385196896,0.0,-0.0059305646,GGA,P2_1/c,A3B9C6D2_mP80_14_3e_9e_6e_2e:Cs-Ge-H-N,80.0,A3B9C6D2_mP80_14_3e_9e_6e_2e:Cs-Ge-H-N +mp-1246456,CsGe2N3,-5.93952153,-0.0810310538,0.2030314854,0.2030314854,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cs-Ge-N,12.0,AB2C3_oC24_36_a_b_ab:Cs-Ge-N +mp-725939,KHgI3,-2.1944688665,-1.0276331941,0.0148967976,0.0148967976,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:Hg-I-K,20.0,AB3C_oP20_33_a_3a_a:Hg-I-K +mp-1112206,K2GaHgI6,-2.438333433,-0.9990561948,0.1360110523,0.1360110523,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ga-Hg-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ga-Hg-I-K +mp-1078303,Ba2YOsO6,-7.988923188,-2.8677311189,0.0,-0.0570208051,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Os-Y +mp-979436,YOsO3,-8.362913752,-1.8561328166,0.7346209899,0.7346209899,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Y,5.0,A3BC_cP5_221_c_b_a:O-Os-Y +mp-703429,Ba3Y4O9,-8.2867936106,-3.527855631,0.0253402625,0.0253402625,GGA,P1,A3B9C4_aP16_1_3a_9a_4a:Ba-O-Y,16.0,A3B9C4_aP16_1_3a_9a_4a:Ba-O-Y +mp-15751,Ba3Y4O9,-8.2977425237,-3.5388045441,0.0143913494,0.0143913494,GGA,R3,A3B9C4_hR48_146_3a_3b_4a:Ba-O-Y,16.0,A3B9C4_hR48_146_3a_3b_4a:Ba-O-Y +mp-779544,Ba4Y2O7,-7.4230663272,-3.174169176,0.0986740101,0.0986740101,GGA,P2_1/c,A4B7C2_mP78_14_6e_a10e_3e:Ba-O-Y,78.0,"Invalid WP multiplicities - A4B7C2_mP78_14_23e_2a32e_5e:Ba-O-Y, expected Ba23Y5O33 to be Ba4Y2O7" +mp-3952,BaY2O4,-8.605708615,-3.657326899,0.0,-0.0134733309,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Y,28.0,AB4C2_oP28_62_c_4c_2c:Ba-O-Y +mp-771193,Ba3Y2O6,-7.6593436882,-3.2620710233,0.0923293141,0.0923293141,GGA,Pbam,A3B6C2_oP44_55_3g_ad2g3h_2h:Ba-O-Y,44.0,"Invalid WP multiplicities - A3B6C2_oP44_55_9g_2a2d8g10h_5h:Ba-O-Y, expected Ba9Y5O20 to be Ba3Y2O6" +mp-1178535,Ba3Y2O6,-7.71714626,-3.3198735951,0.0345267423,0.0345267423,GGA,I4/mmm,A3B6C2_tI22_139_ae_eg_e:Ba-O-Y,11.0,"Invalid WP multiplicities - A3B6C2_tI22_139_a2e_e2g_e:Ba-O-Y, expected Ba5Y2O10 to be Ba3Y2O6" +mp-8429,K4IrO4,-5.21022974,-1.5361425386,0.0,-0.197131411,GGA,C2/m,AB4C4_mC18_12_a_2i_j:Ir-K-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_12_a_4i_j:Ir-K-O, expected K8IrO4 to be K4IrO4" +mp-30546,K(IrO2)4,-7.1140450408,-1.2649953979,0.0455612988,0.0455612988,GGA,C2/m,A4BC8_mC26_12_2i_a_4i:Ir-K-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_2i_a_6i:Ir-K-O, expected K(IrO3)4 to be K(IrO2)4" +mp-1103777,K(IrO2)4,-7.1316336485,-1.2825840056,0.0279726911,0.0279726911,GGA,I4/m,A4BC8_tI26_87_h_a_2h:Ir-K-O,13.0,A4BC8_tI26_87_h_a_2h:Ir-K-O +mp-555717,K2Nd2IrO7,-7.0741494633,-2.4722871369,0.0,-0.0491293334,GGA,R-3c,AB2C2D7_hR72_167_b_c_c_af:Ir-K-Nd-O,24.0,"Invalid WP multiplicities - AB2C2D7_hR72_167_b_c_c_2a3f:Ir-K-Nd-O, expected K2Nd2IrO20 to be K2Nd2IrO7" +mp-639811,KIrO3,-6.4726157073,-1.5148358552,0.0,-0.2255161822,GGA,Pn-3,ABC3_cP60_201_g_be_fh:Ir-K-O,60.0,"Invalid WP multiplicities - ABC3_cP60_201_g_3b3e_7f7h:Ir-K-O, expected K3IrO21 to be KIrO3" +mp-984357,CsKO3,-3.78797655,-0.4188030594,0.688046469,0.688046469,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cs-K-O,5.0,ABC3_cP5_221_b_a_c:Cs-K-O +mp-14439,K5TlO4,-4.1751961272,-1.4050568546,0.0,-0.0991261702,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:K-O-Tl,80.0,A5B4C_oP80_61_5c_4c_c:K-O-Tl +mp-555531,K5Tl3O,-2.4513212178,-0.4972531193,0.0,-0.0021341581,GGA,Cmcm,A5BC3_oC72_63_2f3g_2c_2fg:K-O-Tl,36.0,"Invalid WP multiplicities - A5BC3_oC72_63_8f9g_2c_6f2g:K-O-Tl, expected K17Tl8O to be K5Tl3O" +mp-1212766,KTl3O6,-3.588096894,0.1997491715,1.319497443,1.319497443,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:K-O-Tl,10.0,AB6C3_oC20_65_a_kp_de:K-O-Tl +mp-8175,KTlO2,-4.7340076125,-1.3924027335,0.0,-0.1375081704,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Tl,4.0,AB2C_hR12_166_a_c_b:K-O-Tl +mp-562074,CsK4TlO4,-4.1472727941,-1.398633179,0.0,-0.012933789,GGA,Pbca,AB4C4D_oP80_61_c_4c_4c_c:Cs-K-O-Tl,80.0,"Invalid WP multiplicities - AB4C4D_oP80_61_c_25c_26c_c:Cs-K-O-Tl, expected CsK25TlO26 to be CsK4TlO4" +mp-984454,KTlO3,-4.464268248,-0.8016466025000001,0.333117669,0.333117669,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Tl,5.0,AB3C_cP5_221_a_c_b:K-O-Tl +mp-27716,KTlO,-4.0083819167,-1.2018049817,0.0,-0.1010199133,GGA,C2/m,ABC_mC12_12_i_i_i:K-O-Tl,6.0,ABC_mC12_12_i_i_i:K-O-Tl +mp-1189314,ThCrO7,-7.4991147011,-1.7553672901,0.3933521388,0.3933521388,GGA+U,P2_1/m,AB7C_mP18_11_e_3e2f_e:Cr-O-Th,18.0,AB7C_mP18_11_e_3e2f_e:Cr-O-Th +mp-1209755,ThCr2O10,-7.5210604923,-1.6605343152,0.3064683474,0.3064683474,GGA+U,P2_1/c,A2B10C_mP104_14_4e_20e_2e:Cr-O-Th,104.0,A2B10C_mP104_14_4e_20e_2e:Cr-O-Th +mp-686949,ThCr(IO5)2,-6.7824504286,-1.8195557477,0.0,-0.0523155108,GGA+U,P2_12_12_1,AB2C10D_oP56_19_a_2a_10a_a:Cr-I-O-Th,56.0,"Invalid WP multiplicities - AB2C10D_oP56_19_a_3a_39a_a:Cr-I-O-Th, expected ThCr(IO13)3 to be ThCr(IO5)2" +mp-644332,KMnF3,-6.2210573085,-3.0196870802,0.001661276,-0.0195587298,GGA+U,P2_1/m,A3BC_mP20_11_2e2f_2e_ad:F-K-Mn,20.0,A3BC_mP20_11_2e2f_2e_ac:F-K-Mn +mp-555123,KMnF3,-6.220475058,-3.0191048297,0.0022435265,-0.0189764793,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-K-Mn,5.0,A3BC_cP5_221_c_a_b:F-K-Mn +mp-558046,KMnF3,-6.2227185845,-3.0213483562,0.0,-0.0212200058,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-K-Mn,20.0,A3BC_oP20_62_cd_c_a:F-K-Mn +mp-1180807,KMnF3,-6.221887712,-3.0205174837,0.0008308725,-0.0203891333,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-K-Mn,20.0,A3BC_oP20_62_cd_c_a:F-K-Mn +mp-1205353,KMnF3,-6.222445335,-3.0210751067,0.0002732495,-0.0209467563,GGA+U,Imma,A3BC_oI20_74_eg_e_a:F-K-Mn,10.0,A3BC_oI20_74_eg_e_a:F-K-Mn +mp-560382,KMnF3,-6.2213718495,-3.0200016212,0.001346735,-0.0198732708,GGA+U,P4/mbm,A3BC_tP20_127_egh_f_ab:F-K-Mn,20.0,"Invalid WP multiplicities - A3BC_tP20_127_3e2g3h_f_2a2b:F-K-Mn, expected KMn2F8 to be KMnF3" +mp-555359,KMnF3,-6.222539082,-3.0211688537,0.0001795025,-0.0210405033,GGA+U,I4/mcm,A3BC_tI20_140_ah_b_c:F-K-Mn,10.0,A3BC_tI20_140_ah_b_c:F-K-Mn +mp-1180746,KMnF3,-6.220977369,-3.0196071407,0.0017412155,-0.0194787903,GGA+U,I4/mcm,A3BC_tI20_140_ah_b_c:F-K-Mn,10.0,"Invalid WP multiplicities - A3BC_tI20_140_2a2h_b_c:F-K-Mn, expected KMnF6 to be KMnF3" +mp-1111694,K3MnF6,-5.30444652,-2.9082379262,0.0419004606,0.0419004606,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Mn,10.0,A6B3C_cF40_225_e_ac_b:F-K-Mn +mp-554144,K3Mn2F7,-5.9277094133,-3.0080777302,0.0,-0.0001818848,GGA+U,I4/mmm,A7B3C2_tI24_139_aeg_be_e:F-K-Mn,12.0,A7B3C2_tI24_139_aeg_be_e:F-K-Mn +mp-1223322,KRbMnF6,-5.4201823411,-2.8955354393,0.0031132256,0.0031132256,GGA+U,F-43m,A6BCD_cF36_216_g_a_c_b:F-K-Mn-Rb,9.0,A6BCD_cF36_216_g_a_c_b:F-K-Mn-Rb +mp-1205717,KRb2MnF6,-5.345922172,-2.9756865531,0.0,-0.009610248,GGA+U,I4/mmm,A6BCD2_tI20_139_eh_a_b_d:F-K-Mn-Rb,10.0,A6BCD2_tI20_139_eh_a_b_d:F-K-Mn-Rb +mp-1113757,KRb2MnF6,-5.299996891,-2.9297612721,0.045925281,0.036315033,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Mn-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Mn-Rb +mp-1111381,K2RbMnF6,-5.251628079,-2.8684059726,0.0945064973,0.0945064973,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Rb +mp-558116,KMnF4,-5.9398396208,-2.9534512693,0.0,-0.0393574329,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_ac:F-K-Mn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_8e_e_ac:F-K-Mn, expected KMnF8 to be KMnF4" +mp-561377,K4Mn3F12,-5.8728830539,-2.9852309869,0.0,-0.0152613239,GGA+U,I4_1/amd,A12B4C3_tI76_141_2e2h_f_ae:F-K-Mn,38.0,"Invalid WP multiplicities - A12B4C3_tI76_141_2e3h_f_ae:F-K-Mn, expected K4Mn3F16 to be K4Mn3F12" +mp-560127,K2MnF6,-5.433307175,-2.8942308427,0.0007803183,-0.2165854233,GGA+U,P6_3mc,A6B2C_hP18_186_2c_ab_b:F-K-Mn,18.0,A6B2C_hP18_186_2c_ab_b:F-K-Mn +mp-557397,K2MnF6,-5.4340874933,-2.895011161,0.0,-0.2173657417,GGA+U,Fm-3m,A6B2C_cF36_225_e_c_a:F-K-Mn,9.0,A6B2C_cF36_225_e_c_a:F-K-Mn +mp-1223892,K3RbMn2F12,-5.4267188561,-2.894857239,0.0019726739,0.0019726739,GGA+U,P-4m2,A12B3C2D_tP18_115_2gl_abc_g_d:F-K-Mn-Rb,18.0,"Invalid WP multiplicities - A12B3C2D_tP18_115_4g2l_abc_g_d:F-K-Mn-Rb, expected K3RbMn2F24 to be K3RbMn2F12" +mp-557610,K2MnF4,-5.7166767743,-2.9982869091,0.0,-0.0005173514,GGA+U,I4/mmm,A4B2C_tI14_139_ce_e_a:F-K-Mn,7.0,A4B2C_tI14_139_ce_e_a:F-K-Mn +mp-558227,K2RbMn2F7,-5.9144224225,-3.0056128122,0.0,-0.0004008975,GGA+U,I4/mmm,A7B2C2D_tI24_139_aeg_e_e_b:F-K-Mn-Rb,12.0,"Invalid WP multiplicities - A7B2C2D_tI24_139_ae2g_e_e_b:F-K-Mn-Rb, expected K2RbMn2F11 to be K2RbMn2F7" +mp-1376561,VZnF5,-5.7503682486,-2.9073618889,0.0493833871,0.0493833871,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-V-Zn,28.0,A5BC_mP28_14_5e_e_e:F-V-Zn +mp-1394906,VZnF5,-5.7580293243,-2.9150229646,0.0417223114,0.0417223114,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-V-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-V-Zn, expected VZnF7 to be VZnF5" +mp-1410296,VZnF4,-5.7244800767,-2.7262191517,0.0752576133,0.0752576133,GGA+U,P-1,A4BC_aP12_2_4i_ae_i:F-V-Zn,12.0,"Invalid WP multiplicities - A4BC_aP12_2_8i_ae_i:F-V-Zn, expected VZnF8 to be VZnF4" +mp-1225824,CsVZnF6,-5.5585013128,-3.0353984398,0.0,-0.0262250603,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-V-Zn,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-V-Zn, expected CsVZnF12 to be CsVZnF6" +mp-1392784,VZnF6,-5.546425145,-2.8198597094,0.0324984381,0.0324984381,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-V-Zn,8.0,A6BC_hR24_148_f_a_b:F-V-Zn +mp-1111956,K2TlHgF6,-3.93841003,-2.3028105089,0.0881536655,0.0881536655,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Tl +mp-626456,As3HO6,-6.1895625285,-1.4845411758,0.0957668088,0.0744182503,GGA,Pc,A3BC6_mP40_7_6a_2a_12a:As-H-O,40.0,"Invalid WP multiplicities - A3BC6_mP40_7_9a_2a_18a:As-H-O, expected As9(HO9)2 to be As3HO6" +mp-626378,As3HO6,-6.2853293372,-1.5803079845,0.0,-0.0213485584,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:As-H-O,40.0,A3BC6_mP40_14_3e_e_6e:As-H-O +mp-1202171,TeAsHO5,-5.9989084078,-1.5078341704,0.0040486765,0.0040486765,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:As-H-O-Te,32.0,ABC5D_mP32_14_e_e_5e_e:As-H-O-Te +mp-1203323,TeAsHO5,-5.9916543425,-1.5005801051,0.0113027418,0.0113027418,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:As-H-O-Te,32.0,ABC5D_mP32_14_e_e_5e_e:As-H-O-Te +mp-625657,TeHO3,-5.633659365,-1.3584397506,0.026855483,0.0206383644,GGA,Pc,AB3C_mP40_7_4a_12a_4a:H-O-Te,40.0,"Invalid WP multiplicities - AB3C_mP40_7_5a_18a_6a:H-O-Te, expected Te6H5O18 to be TeHO3" +mp-625856,TeHO3,-5.6175892523,-1.3423696378,0.0429255957,0.0367084771,GGA,Pc,AB3C_mP40_7_4a_12a_4a:H-O-Te,40.0,AB3C_mP40_7_8a_24a_8a:H-O-Te +mp-625913,TeHO3,-5.6272065607,-1.3519869463,0.0333082873,0.0270911686,GGA,Pc,AB3C_mP40_7_4a_12a_4a:H-O-Te,40.0,"Invalid WP multiplicities - AB3C_mP40_7_5a_18a_6a:H-O-Te, expected Te6H5O18 to be TeHO3" +mp-625630,TeHO3,-5.63435221,-1.3591325956,0.026162638,0.0199455194,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:H-O-Te,40.0,AB3C_oP40_33_2a_6a_2a:H-O-Te +mp-625654,TeHO3,-5.628324485,-1.3531048706,0.032190363,0.0259732444,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:H-O-Te,40.0,AB3C_oP40_33_2a_6a_2a:H-O-Te +mp-1195796,TeHO3,-5.660514848,-1.3852952336,0.0,-0.0062171186,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:H-O-Te,40.0,AB3C_oP40_33_2a_6a_2a:H-O-Te +mp-625526,Te(HO2)2,-5.545578545,-1.3005052838,0.0215850712,0.0215850712,GGA,Pc,A2B4C_mP14_7_2a_4a_a:H-O-Te,14.0,"Invalid WP multiplicities - A2B4C_mP14_7_3a_6a_a:H-O-Te, expected Te(HO2)3 to be Te(HO2)2" +mp-625513,Te(HO2)2,-5.5329562143,-1.2878829531,0.0342074019,0.0342074019,GGA,P2_1/c,A2B4C_mP14_14_e_2e_a:H-O-Te,14.0,A2B4C_mP14_14_e_2e_a:H-O-Te +mp-27404,As3(HO2)5,-5.9266322144,-1.4595281838,0.0,-0.0144835231,GGA,P-1,A3B5C10_aP18_2_bi_d2i_5i:As-H-O,18.0,"Invalid WP multiplicities - A3B5C10_aP18_2_bi_d2i_7i:As-H-O, expected As3H5O14 to be As3(HO2)5" +mp-625993,Te(HO)6,-5.3398381369,-1.2490847192,0.0603625531,0.0516097148,GGA,P1,A6B6C_aP13_1_6a_6a_a:H-O-Te,13.0,A6B6C_aP13_1_6a_6a_a:H-O-Te +mp-626012,Te(HO)6,-5.3503381492,-1.2595847315,0.0498625408,0.0411097025,GGA,P1,A6B6C_aP13_1_6a_6a_a:H-O-Te,13.0,A6B6C_aP13_1_6a_6a_a:H-O-Te +mp-30981,Te(HO)6,-5.40020069,-1.3094472722,0.0,-0.0087528383,GGA,P2_1/c,A6B6C_mP52_14_6e_6e_ad:H-O-Te,52.0,"Invalid WP multiplicities - A6B6C_mP52_14_7e_7e_ab:H-O-Te, expected Te(HO)7 to be Te(HO)6" +mp-625941,Te(HO)6,-5.3114248154,-1.2206713976,0.0887758746,0.0800230363,GGA,Fmm2,A6B6C_oF52_42_2cd_2acd_a:H-O-Te,13.0,"Invalid WP multiplicities - A6B6C_oF52_42_2c3d_2a2c2d_a:H-O-Te, expected Te(HO)10 to be Te(HO)6" +mp-625950,Te(HO)6,-5.2095923631,-1.1188389453,0.1906083269,0.1818554887,GGA,I4/m,A6B6C_tI26_87_eh_eh_a:H-O-Te,13.0,"Invalid WP multiplicities - A6B6C_tI26_87_2e2h_2e2h_a:H-O-Te, expected Te(HO)12 to be Te(HO)6" +mp-706625,TeH5O6,-5.2988419844,-1.1499196189,0.1068111332,0.1068111332,GGA,P2_1/c,A5B6C_mP48_14_5e_6e_ad:H-O-Te,48.0,A5B6C_mP48_14_5e_6e_ab:H-O-Te +mp-1229223,As14H6O31,-6.1285954373,-1.4436667316,0.1127410907,0.1127410907,GGA,P3,A14B6C31_hP51_143_ab4d_2d_a10d:As-H-O,51.0,A14B6C31_hP51_143_ab4d_2d_a10d:As-H-O +mp-14429,CsK4GaO4,-4.5298373911,-1.7146524884,0.0,-0.0212769386,GGA,Pbca,ABC4D4_oP80_61_c_c_4c_4c:Cs-Ga-K-O,80.0,"Invalid WP multiplicities - ABC4D4_oP80_61_c_c_6c_7c:Cs-Ga-K-O, expected CsK6GaO7 to be CsK4GaO4" +mp-679975,KGaO2,-5.6775194683,-2.1695513703,0.0238044912,-0.1173388216,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ga-K-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_9c_9c_25c:Ga-K-O, expected K9Ga9O25 to be KGaO2" +mp-4066,KGaO2,-5.7013239595,-2.1933558615,0.0,-0.1411433129,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ga-K-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_2c_2c_6c:Ga-K-O, expected KGaO3 to be KGaO2" +mp-13743,K3GaO3,-4.9253013364000005,-1.8968214797,0.0,-0.1084969938,GGA,C2/m,AB3C3_mC28_12_i_ghi_ij:Ga-K-O,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2g2h2i_i2j:Ga-K-O, expected K6GaO5 to be K3GaO3" +mp-556766,ErMoO4F,-8.3042013814,-3.0025438482,0.0,-0.0063126599,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Er-F-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_14e:Er-F-Mo-O, expected ErMoO14F to be ErMoO4F" +mp-1212915,Er3OF10,-6.3874662746,-3.6899923592,0.1962160841,0.1962160841,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Er-F-O,28.0,A3B10C_cF112_225_e_fh_c:Er-F-O +mp-560114,Er3O2F5,-7.7000414785,-4.3846486095,0.0,-0.0223257685,GGA,Pnma,A3B5C2_oP40_62_cd_c2d_d:Er-F-O,40.0,"Invalid WP multiplicities - A3B5C2_oP40_62_4c4d_3c10d_d:Er-F-O, expected Er12O2F23 to be Er3O2F5" +mp-1072193,ErOF,-8.098065505,-4.2894366754,0.0,-0.0137184447,GGA,R-3m,ABC_hR18_166_c_c_c:Er-F-O,6.0,ABC_hR18_166_c_c_c:Er-F-O +mp-560100,CdCu2(BO3)2,-6.6073249014,-1.8654868187,0.0539517284,0.0539517284,GGA,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:B-Cd-Cu-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_6e_e_2e_21e:B-Cd-Cu-O, expected CdCu2(B2O7)3 to be CdCu2(BO3)2" +mp-554320,P2Pd2O7,-6.9796555005,-1.9057291721,0.0125051268,0.0125051268,GGA,C2/c,A7B2C2_mC44_15_e3f_f_ac:O-P-Pd,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_2e9f_f_ac:O-P-Pd, expected PPdO10 to be P2Pd2O7" +mp-667294,Ca5(PPd)6,-5.3111505659,-0.9824973129,0.0,-0.0191418711,GGA,Pmma,A5B6C6_oP34_51_aij_3e3f_d2e3f:Ca-P-Pd,34.0,"Invalid WP multiplicities - A5B6C6_oP34_51_2a3i3j_4e5f_d4e6f:Ca-P-Pd, expected Ca14P9Pd11 to be Ca5(PPd)6" +mp-726661,CaPO4,-7.3845867737,-2.8503105685000003,0.0964062307,0.0964062307,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Ca-O-P,24.0,AB4C_aP24_2_2i_8i_2i:Ca-O-P +mp-1213989,CaPO4,-7.3734499087,-2.8391737035,0.1075430957,0.1075430957,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-O-P,24.0,AB4C_mP24_14_e_4e_e:Ca-O-P +mp-1214151,CaPO6,-6.4882437825,-1.8508644507,0.3591731487,0.3591731487,GGA,C2/c,AB6C_mC32_15_e_3f_e:Ca-O-P,16.0,AB6C_mC32_15_e_3f_e:Ca-O-P +mp-1202624,Ca5P3O13,-7.5571745025,-3.2440859232,0.003601495,0.003601495,GGA,P2_1/c,A5B13C3_mP84_14_5e_13e_3e:Ca-O-P,84.0,A5B13C3_mP84_14_5e_13e_3e:Ca-O-P +mp-1227239,Ca5P3O13,-7.5577151519,-3.2446265726,0.0030608456,0.0030608456,GGA,P6_3,A5B13C3_hP42_173_2bc_a4c_c:Ca-O-P,42.0,A5B13C3_hP42_173_2bc_a4c_c:Ca-O-P +mp-1195767,Ca5P3O13,-7.5577667281,-3.2446781488,0.0030092694,0.0030092694,GGA,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-P,42.0,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-P +mp-753711,Ca3(PO4)2,-7.5904083223,-3.2506456805,0.0761285692,0.0469955775,GGA,C2,A3B8C2_mC26_5_ac_4c_ab:Ca-O-P,13.0,A3B8C2_mC26_5_ac_4c_ab:Ca-O-P +mp-1197377,Ca3(PO4)2,-7.6665368915,-3.3267742497,0.0,-0.0291329916,GGA,P2_1/c,A3B8C2_mP312_14_18e_48e_12e:Ca-O-P,312.0,A3B8C2_mP312_14_18e_48e_12e:Ca-O-P +mp-686015,Ca3(PO4)2,-7.1065141073,-2.7667514655,0.5600227842000001,0.5308897926,GGA,R3,A3B8C2_hR273_146_3a6b_2a18b_2a4b:Ca-O-P,91.0,"Invalid WP multiplicities - A3B8C2_hR273_146_3a10b_2a45b_2a4b:Ca-O-P, expected Ca33P14O137 to be Ca3(PO4)2" +mp-531132,Ca3(PO4)2,-7.6632062779,-3.3234436361,0.0033306136,-0.0258023781,GGA,R3,A3B8C2_hR273_146_3a6b_2a18b_2a4b:Ca-O-P,91.0,"Invalid WP multiplicities - A3B8C2_hR273_146_3a10b_2a46b_2a4b:Ca-O-P, expected Ca33(PO10)14 to be Ca3(PO4)2" +mp-3487,Ca3(PO4)2,-7.6252022462,-3.2854396044,0.0413346453,0.0122016537,GGA,R-3m,A3B8C2_hR39_166_ac_ch_c:Ca-O-P,13.0,"Invalid WP multiplicities - A3B8C2_hR39_166_ac_c2h_c:Ca-O-P, expected Ca3(PO7)2 to be Ca3(PO4)2" +mp-6926,Ca(PPd)2,-5.486688182,-0.8482944793,0.0,-0.0363534578,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-P-Pd,5.0,AB2C2_tI10_139_a_e_d:Ca-P-Pd +mp-1182052,Ca5(PO4)3,-7.5349244655,-3.2535158928,0.04192295,0.04192295,GGA,P6_3/m,A5B12C3_hP40_176_fh_2hi_h:Ca-O-P,40.0,A5B12C3_hP40_176_fh_2hi_h:Ca-O-P +mp-28925,Ca4(PPd)5,-5.3223352514,-0.9660266012,0.0044883159,0.0044883159,GGA,Cmcm,A4B5C5_oC56_63_2f_5c_a4c:Ca-P-Pd,28.0,"Invalid WP multiplicities - A4B5C5_oC56_63_2f_9c_2a4c:Ca-P-Pd, expected Ca4(P3Pd2)3 to be Ca4(PPd)5" +mp-758337,Ca2P6O17,-7.6807005962,-2.8573116806,0.0,-0.0029035011,GGA,P2_1,A2B17C6_mP50_4_2a_17a_6a:Ca-O-P,50.0,"Invalid WP multiplicities - A2B17C6_mP50_4_4a_32a_10a:Ca-O-P, expected Ca2P5O16 to be Ca2P6O17" +mp-561008,Ca(PO3)2,-7.6855356146,-2.9619425967,0.01079906,0.0090503145,GGA,Cc,AB6C2_mC144_9_4a_24a_8a:Ca-O-P,72.0,"Invalid WP multiplicities - AB6C2_mC144_9_7a_47a_16a:Ca-O-P, expected Ca7P16O47 to be Ca(PO3)2" +mp-5680,Ca(PO3)2,-7.6963346746,-2.9727416567,0.0,-0.0017487455,GGA,P2_1/c,AB6C2_mP72_14_2e_12e_4e:Ca-O-P,72.0,"Invalid WP multiplicities - AB6C2_mP72_14_2e_17e_4e:Ca-O-P, expected Ca2P4O17 to be Ca(PO3)2" +mp-5380,Ca4P2O,-5.1707445186,-1.7713597693,0.0,-0.2034708957,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Ca-O-P,7.0,A4BC2_tI14_139_ce_a_e:Ca-O-P +mp-1214415,Ca2P4PdO8,-6.9347133393,-2.2401932536,0.4364456127,0.4364456127,GGA,I4_1/amd,A2B8C4D_tI60_141_c_i_h_b:Ca-O-P-Pd,30.0,A2B8C4D_tI60_141_c_i_h_b:Ca-O-P-Pd +mp-1200799,Ca2P2O11,-6.6589535365,-2.04219483,0.3151786093,0.3151786093,GGA,P2_1/c,A2B11C2_mP60_14_2e_11e_2e:Ca-O-P,60.0,A2B11C2_mP60_14_2e_11e_2e:Ca-O-P +mp-1214043,CaP2PdO7,-7.3698563309,-2.5845010871,0.0,-0.0085374494,GGA,Pnma,AB7C2D_oP44_62_c_3c2d_2c_a:Ca-O-P-Pd,44.0,AB7C2D_oP44_62_c_3c2d_2c_a:Ca-O-P-Pd +mp-1190799,CaP2O9,-6.3880080942,-1.608641153,0.6209150896,0.6209150896,GGA,P-1,AB9C2_aP24_2_i_9i_2i:Ca-O-P,24.0,AB9C2_aP24_2_i_9i_2i:Ca-O-P +mp-1204649,Ca8P6O29,-6.9966972742,-2.5320789787,0.3017985116,0.3017985116,GGA,P-1,A8B29C6_aP86_2_8i_29i_6i:Ca-O-P,86.0,A8B29C6_aP86_2_8i_29i_6i:Ca-O-P +mp-559537,Ca4P6O19,-7.7065560436,-3.0689939721,0.0,-0.004512889,GGA,P-1,A4B19C6_aP58_2_4i_19i_6i:Ca-O-P,58.0,"Invalid WP multiplicities - A4B19C6_aP58_2_7i_35i_11i:Ca-O-P, expected Ca7P11O35 to be Ca4P6O19" +mp-17922,Ca2P2O7,-7.7113843039,-3.2146001446,0.0,-0.0237464049,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Ca-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:Ca-O-P +mp-3531,Ca2P2O7,-7.707688801,-3.2109046417,0.0036955028,-0.0200509021,GGA,P4_1,A2B7C2_tP88_76_4a_14a_4a:Ca-O-P,88.0,"Invalid WP multiplicities - A2B7C2_tP88_76_4a_17a_4a:Ca-O-P, expected Ca4P4O17 to be Ca2P2O7" +mp-30983,CaP4O11,-7.6673697067,-2.7878455986,0.0,-0.0218714398,GGA,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ca-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_14e_4e:Ca-O-P, expected Ca(P2O7)2 to be CaP4O11" +mp-559985,CaP4O11,-7.6669579263,-2.7874338181,0.0004117805,-0.0214596594,GGA,Cmce,AB11C4_oC128_64_f_e2f4g_dfg:Ca-O-P,64.0,"Invalid WP multiplicities - AB11C4_oC128_64_f_4e7f25g_4d4f4g:Ca-O-P, expected CaP16O61 to be CaP4O11" +mp-29274,P2PdO6,-7.2451412528,-2.1688502427,0.0,-0.0554390228,GGA,Pmna,A6B2C_oP18_53_gi_f_a:O-P-Pd,18.0,A6B2C_oP18_53_gi_f_a:O-P-Pd +mp-1199042,Ca(PO4)2,-6.8198796848,-2.0557238136,0.3765193601,0.3765193601,GGA,P2_1/c,AB8C2_mP44_14_e_8e_2e:Ca-O-P,44.0,AB8C2_mP44_14_e_8e_2e:Ca-O-P +mp-1227589,Ca10P6O25,-7.6162347232,-3.3185998056,0.0082995008,0.0082995008,GGA,P3,A10B25C6_hP41_143_2a2b2d_c8d_2d:Ca-O-P,41.0,A10B25C6_hP41_143_2a2b2d_c8d_2d:Ca-O-P +mp-29760,Ca10P6O25,-7.6175554988,-3.3199205812,0.0069787252,0.0069787252,GGA,P-6,A10B25C6_hP41_174_hijk_a2j2k2l_jk:Ca-O-P,41.0,"Invalid WP multiplicities - A10B25C6_hP41_174_2h2ijk_a2j2k2l_j2k:Ca-O-P, expected Ca14P9O25 to be Ca10P6O25" +mp-5263,Ca4P2O9,-7.5517296003,-3.3271160714,0.0,-0.0030243164,GGA,P2_1,A4B9C2_mP60_4_8a_18a_4a:Ca-O-P,60.0,"Invalid WP multiplicities - A4B9C2_mP60_4_10a_22a_4a:Ca-O-P, expected Ca5P2O11 to be Ca4P2O9" +mp-18244,K6MnS4,-4.1661391155,-1.2233928935,0.0,-0.0228032605,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:K-Mn-S,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_5c_b_bc:K-Mn-S, expected K15MnS4 to be K6MnS4" +mp-1211991,K2LiS2,-2.631086168,-0.1505620691,1.156279515,1.156279515,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Li-S,5.0,A2BC2_tP5_123_g_a_g:K-Li-S +mp-753940,KLiMnS2,-5.326415488,-1.2355681201,0.0,-0.0357678547,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:K-Li-Mn-S,5.0,ABCD2_tI10_119_c_a_b_f:K-Li-Mn-S +mp-8713,K2MnS2,-5.105214141,-1.174071557,0.0,-0.0514535277,GGA,Ibam,A2BC2_oI20_72_j_a_j:K-Mn-S,10.0,A2BC2_oI20_72_j_a_j:K-Mn-S +mp-29861,K2Mn3S4,-6.1386313328,-0.9994487508,0.0093914889,0.0093914889,GGA,P2/c,A2B3C4_mP18_13_ae_fg_2g:K-Mn-S,18.0,"Invalid WP multiplicities - A2B3C4_mP18_13_a2e_fg_5g:K-Mn-S, expected K3Mn3S10 to be K2Mn3S4" +mp-8430,KLiS,-3.77441834,-1.3891611132,0.0,-0.02593248,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Li-S,6.0,ABC_tP6_129_c_a_c:K-Li-S +mp-722181,KLiS,-3.7254521383,-1.3401949115,0.0489662017,0.0230337217,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:K-Li-S,6.0,ABC_hP6_194_a_c_d:K-Li-S +mp-1224420,In(PO3)3,-7.0813323858,-2.1958101049,0.3543862333,0.2799125272,GGA,P1,AB9C3_aP26_1_2a_18a_6a:In-O-P,26.0,AB9C3_aP26_1_2a_18a_6a:In-O-P +mp-14535,In(PO3)3,-7.4357186191,-2.5501963382,0.0,-0.0744737061,GGA,Cc,AB9C3_mC156_9_3a_27a_9a:In-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:In-O-P +mp-558582,In(PO3)3,-7.4318303396,-2.5463080588,0.0038882795,-0.0705854266,GGA,Cc,AB9C3_mC52_9_a_9a_3a:In-O-P,26.0,"Invalid WP multiplicities - AB9C3_mC52_9_a_16a_6a:In-O-P, expected In(P3O8)2 to be In(PO3)3" +mp-1218791,Sr9In(PO4)7,-7.562784252,-3.2437281126,0.0,-0.0267082112,GGA,Cc,AB28C7D9_mC180_9_a_28a_7a_9a:In-O-P-Sr,90.0,"Invalid WP multiplicities - AB28C7D9_mC180_9_a_42a_10a_13a:In-O-P-Sr, expected Sr13In(P5O21)2 to be Sr9In(PO4)7" +mp-726514,In2P6O19,-7.2822282654,-2.3944405612,0.0613040608,0.0613040608,GGA,Pmmn,A2B19C6_oP54_59_c_a2ef3g_eg:In-O-P,54.0,A2B19C6_oP54_59_c_a2ef3g_eg:In-O-P +mp-1212414,In(PO4)3,-6.6562345728,-1.7592435863,0.3127909386,0.3127909386,GGA,P6_3,AB12C3_hP32_173_b_4c_c:In-O-P,32.0,AB12C3_hP32_173_b_4c_c:In-O-P +mp-28708,In3(PO4)2,-6.8100498204,-2.2981139824,0.0,-0.0145148258,GGA,I-43d,A3B8C2_cI104_220_d_ce_c:In-O-P,52.0,A3B8C2_cI104_220_d_ce_c:In-O-P +mp-27583,Sr2P6O17,-7.6501732182,-2.8520728167,0.0,-0.012630628,GGA,P2_1,A17B6C2_mP50_4_17a_6a_2a:O-P-Sr,50.0,A17B6C2_mP50_4_17a_6a_2a:O-P-Sr +mp-732156,SrPO4,-7.3443513346,-2.8627595337,0.1052921811,0.1052921811,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-P-Sr,24.0,A4BC_aP24_2_8i_2i_2i:O-P-Sr +mp-1201013,SrIn2(PO4)4,-7.033626443,-2.33827469,0.1247547998,0.1247547998,GGA,C222_1,A2B16C4D_oC92_20_ab_8c_2c_a:In-O-P-Sr,46.0,A2B16C4D_oC92_20_ab_8c_2c_a:In-O-P-Sr +mp-5616,Sr2P2O7,-7.6771848616,-3.2378745981,0.0,-0.036702366,GGA,Pnma,A7B2C2_oP44_62_3c2d_2c_2c:O-P-Sr,44.0,A7B2C2_oP44_62_3c2d_2c_2c:O-P-Sr +mp-558065,In4(P2O7)3,-7.2538531152,-2.5000785056,0.0058162025,0.0058162025,GGA,P2_1/c,A4B21C6_mP124_14_4e_21e_6e:In-O-P,124.0,"Invalid WP multiplicities - A4B21C6_mP124_14_15e_80e_22e:In-O-P, expected In15(P11O40)2 to be In4(P2O7)3" +mp-31127,Sr3P4O13,-7.6747064202,-3.1232742386,0.0052486316,0.0052486316,GGA,P-1,A13B4C3_aP40_2_13i_4i_3i:O-P-Sr,40.0,A13B4C3_aP40_2_13i_4i_3i:O-P-Sr +mp-8298,Sr4P2O,-4.8550254171,-1.6362729117,0.0,-0.0130988823,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:O-P-Sr,7.0,AB2C4_tI14_139_a_e_ce:O-P-Sr +mp-1218894,Sr10P6O25,-7.5397138132,-3.319178024,0.0,-0.0100304473,GGA,P3,A25B6C10_hP41_143_a8d_2d_2b2c2d:O-P-Sr,41.0,A25B6C10_hP41_143_a8d_2d_2b2c2d:O-P-Sr +mp-1208610,Sr5P3O13,-7.4852053214,-3.247380177,0.0,-0.0059870036,GGA,P6_3/m,A13B3C5_hP42_176_a2hi_h_fh:O-P-Sr,42.0,A13B3C5_hP42_176_a2hi_h_fh:O-P-Sr +mp-17100,In2P2O7,-7.0126942002,-2.3802584319,0.0,-0.009454878,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:In-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:In-O-P +mp-1078973,Sr(InP)2,-4.191463969,-0.5875707837,0.0,-0.0477334173,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_a:In-P-Sr,10.0,A2B2C_hP10_194_f_f_a:In-P-Sr +mp-1212782,InPO6,-6.1002759094,-1.3696360964,0.4857882184,0.4857882184,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:In-O-P,32.0,AB6C_mP32_14_e_6e_e:In-O-P +mp-1213614,InPO6,-6.0139458352,-1.2833060221,0.5721182927,0.5721182927,GGA,P2_1/c,AB6C_mP64_14_2e_12e_2e:In-O-P,64.0,AB6C_mP64_14_2e_12e_2e:In-O-P +mp-1196067,InPO6,-6.1080862152,-1.3774464021,0.4779779127,0.4779779127,GGA,Pbca,AB6C_oP64_61_c_6c_c:In-O-P,64.0,AB6C_oP64_61_c_6c_c:In-O-P +mp-31232,In2PO5,-6.7410698838,-2.2848056934,0.0,-0.005305271,GGA,P-1,A2B5C_aP16_2_2i_5i_i:In-O-P,16.0,A2B5C_aP16_2_2i_5i_i:In-O-P +mp-22569,InPO4,-7.1295365383,-2.4709130247,0.0029860617,-0.0405917047,GGA,Pnma,AB4C_oP24_62_a_2cd_c:In-O-P,24.0,AB4C_oP24_62_a_2cd_c:In-O-P +mp-7566,InPO4,-7.1325226,-2.4738990864,0.0,-0.0435777664,GGA,Cmcm,AB4C_oC24_63_a_fg_c:In-O-P,12.0,AB4C_oC24_63_a_fg_c:In-O-P +mp-28324,Sr3(InP2)2,-4.3888254283,-0.8082634454000001,0.0,-0.0115158006,GGA,Pnnm,A2B4C3_oP18_58_g_2g_ag:In-P-Sr,18.0,"Invalid WP multiplicities - A2B4C3_oP18_58_g_3g_2ag:In-P-Sr, expected Sr2InP3 to be Sr3(InP2)2" +mp-4632,Sr3(PO4)2,-7.5878303038,-3.321015299,0.0,-0.0190360766,GGA,R-3m,A8B2C3_hR39_166_ch_c_ac:O-P-Sr,13.0,A8B2C3_hR39_166_ch_c_ac:O-P-Sr +mp-616026,Sr3InP3,-4.3778633232,-0.9407102361,0.0,-0.0347106315,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:In-P-Sr,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_7c_8c:In-P-Sr, expected Sr8InP7 to be Sr3InP3" +mp-3765,Sr(PO3)2,-7.68334084,-2.9948707584000003,0.0,-0.0222639764,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:O-P-Sr,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_15e_4e_2e:O-P-Sr, expected Sr2P4O15 to be Sr(PO3)2" +mp-1106207,Sr(PO3)2,-7.3957121939,-2.7072421123,0.2876286461,0.2653646697,GGA,P-1,A6B2C_aP18_2_6i_2i_i:O-P-Sr,18.0,A6B2C_aP18_2_6i_2i_i:O-P-Sr +mp-555336,Sr(PO3)2,-7.675460364,-2.9869902825,0.007880476,-0.0143835005,GGA,P2_1,A6B2C_mP72_4_24a_8a_4a:O-P-Sr,72.0,"Invalid WP multiplicities - A6B2C_mP72_4_48a_14a_7a:O-P-Sr, expected Sr7(P7O24)2 to be Sr(PO3)2" +mp-556776,Sr(PO3)2,-7.6804148581,-2.9919447765,0.0029259819,-0.0193379945,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:O-P-Sr,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_23e_5e_e:O-P-Sr, expected SrP5O23 to be Sr(PO3)2" +mp-1208724,Sr5P3O14,-7.1118151355,-2.8417689198,0.2580030673,0.2580030673,GGA,P6_3/m,A14B3C5_hP44_176_e2hi_h_fh:O-P-Sr,44.0,A14B3C5_hP44_176_e2hi_h_fh:O-P-Sr +mp-1213079,CsRbSO4,-5.9333234429,-2.2477318491,0.0163962879,0.0163962879,GGA,P3m1,AB4CD_hP14_156_ac_ab2d_bc_ab:Cs-O-Rb-S,14.0,AB4CD_hP14_156_ac_ab2d_bc_ab:Cs-O-Rb-S +mp-1207430,Zr9W4O3,-9.5998149378,-0.6246966426,0.5661549486,0.5661549486,GGA+U,P6_3/mmc,A3B4C9_hP32_194_g_ah_hk:O-W-Zr,32.0,A3B4C9_hP32_194_g_ah_hk:O-W-Zr +mp-1215850,ZrW2ClO10,-7.8064067691,-1.6793078504,0.466340496,0.466340496,GGA+U,Iba2,AB10C2D_oI112_45_c_ab9c_2c_ab:Cl-O-W-Zr,56.0,"Invalid WP multiplicities - AB10C2D_oI112_45_c_ab17c_4c_ab:Cl-O-W-Zr, expected ZrW4ClO18 to be ZrW2ClO10" +mp-1207524,ZrW2O11,-7.971947825,-1.6235523312,0.4462988451,0.4462988451,GGA+U,I4_1cd,A11B2C_tI112_110_a5b_b_a:O-W-Zr,56.0,A11B2C_tI112_110_a5b_b_a:O-W-Zr +mp-556713,Zr(WO4)2,-9.3052393571,-2.5745601953,0.0597958472,0.0597958472,GGA+U,P2_12_12_1,A8B2C_oP132_19_24a_6a_3a:O-W-Zr,132.0,"Invalid WP multiplicities - A8B2C_oP132_19_92a_22a_11a:O-W-Zr, expected Zr11(W11O46)2 to be Zr(WO4)2" +mp-18778,Zr(WO4)2,-9.2869780477,-2.5562988859,0.0780571566,0.0780571566,GGA+U,P2_13,A8B2C_cP44_198_2a2b_2a_a:O-W-Zr,44.0,"Invalid WP multiplicities - A8B2C_cP44_198_2a3b_2a_a:O-W-Zr, expected ZrW2O11 to be Zr(WO4)2" +mp-17676,Sr2SnS3F2,-5.4218897956,-2.4692815085,0.0,-0.0138469469,GGA,Pnma,A2B3CD2_oP32_62_d_cd_c_d:F-S-Sn-Sr,32.0,"Invalid WP multiplicities - A2B3CD2_oP32_62_d_c2d_c_d:F-S-Sn-Sr, expected Sr2SnS5F2 to be Sr2SnS3F2" +mp-1023371,Sn4SF6,-2.2890053373,0.5876865802,2.815440595,2.815440595,GGA,P1,A6BC4_aP11_1_6a_a_4a:F-S-Sn,11.0,A6BC4_aP11_1_6a_a_4a:F-S-Sn +mp-1013750,Sn4SF6,-5.0598314323,-2.1831395148,0.0446145,0.0446145,GGA,Cmc2_1,A6BC4_oC44_36_2a2b_a_2ab:F-S-Sn,22.0,"Invalid WP multiplicities - A6BC4_oC44_36_4a5b_a_3a2b:F-S-Sn, expected Sn7SF14 to be Sn4SF6" +mp-1021490,Sn4SF6,-5.0606576773,-2.1839657598,0.043788255,0.043788255,GGA,R3,A6BC4_hR33_146_2b_a_ab:F-S-Sn,11.0,A6BC4_hR33_146_2b_a_ab:F-S-Sn +mp-1220223,Ni8B3SbO15,-7.1239740509,-1.7680999524,0.0107126023,0.0107126023,GGA+U,P-1,A3B8C15D_aP54_2_3i_abcf6i_15i_i:B-Ni-O-Sb,54.0,"Invalid WP multiplicities - A3B8C15D_aP54_2_6i_abcf9i_28i_i:B-Ni-O-Sb, expected Ni11B6SbO28 to be Ni8B3SbO15" +mp-753806,BSbO3,-7.357337273,-2.2276454441,0.0480148382,0.0480148382,GGA,P-1,AB3C_aP10_2_i_3i_i:B-O-Sb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:B-O-Sb, expected BSbO5 to be BSbO3" +mp-755829,BSbO3,-7.3581626725,-2.2284708436,0.0471894387,0.0471894387,GGA,C2/c,AB3C_mC40_15_f_3f_f:B-O-Sb,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_5f_f:B-O-Sb, expected BSbO5 to be BSbO3" +mp-1183211,BSbO3,-6.391039034,-1.2613472051,1.0143130772,1.0143130772,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Sb,5.0,AB3C_cP5_221_b_c_a:B-O-Sb +mp-555102,Ni(BO2)2,-7.9238927046,-2.3630819808,0.0055622017,0.0055622017,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:B-Ni-O,28.0,A2BC4_mC28_15_f_e_2f:B-Ni-O +mp-1202601,Ni(BO3)6,-6.3211188416,-0.9252434773,0.8584699898,0.8584699898,GGA+U,P-1,A6BC18_aP50_2_6i_i_18i:B-Ni-O,50.0,A6BC18_aP50_2_6i_i_18i:B-Ni-O +mp-10123,Ni21(B3Sb)2,-6.1291183703,-0.2768003226,0.0,-0.0074461071,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Sb,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a3f3h_c:B-Ni-Sb, expected Ni61(B3Sb)2 to be Ni21(B3Sb)2" +mp-557107,NiB4O7,-8.1299090033,-2.5361986082,0.0116853676,0.0116853676,GGA+U,Cmcm,A4BC7_oC48_63_eg_c_cgh:B-Ni-O,48.0,A4BC7_oC48_63_eg_c_cgh:B-Ni-O +mp-1210020,Ni3BO5,-7.0646576372,-1.6476303742,0.0,-0.0317597836,GGA+U,Pbam,AB3C5_oP36_55_g_adgh_3g2h:B-Ni-O,36.0,AB3C5_oP36_55_g_adgh_3g2h:B-Ni-O +mp-1209850,Ni5B2SbO10,-7.0443096133,-1.719012097,0.0751014122,0.0751014122,GGA+U,P2/m,A2B5C10D_mP18_10_m_adhn_3m2n_c:B-Ni-O-Sb,18.0,A2B5C10D_mP18_10_m_aegn_3m2n_c:B-Ni-O-Sb +mp-18806,Ni3(BO3)2,-7.4666051655,-1.9775755428,0.0,-0.0306246652,GGA+U,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Ni-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_2a2f_gh:B-Ni-O, expected Ni3BO3 to be Ni3(BO3)2" +mp-779174,B5SbO10,-7.9084347042,-2.4713817538,0.0895745212,0.0895745212,GGA,P2_1/c,A5B10C_mP64_14_5e_10e_e:B-O-Sb,64.0,"Invalid WP multiplicities - A5B10C_mP64_14_9e_27e_e:B-O-Sb, expected B9SbO27 to be B5SbO10" +mp-1026611,CsMg14B,-1.5701856563,0.3034840214,0.3157048304,0.3157048304,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Cs-Mg, expected CsMg18B to be CsMg14B" +mp-1026562,CsMg14B,-1.5102801837,0.3633894939,0.3756103029,0.3756103029,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Cs-Mg, expected CsMg26B to be CsMg14B" +mp-1098281,CsMg6BO7,-5.9693540913,-2.5158010632,0.2774928593,0.2774928593,GGA,Cm,ABC6D7_mC30_8_a_a_2a2b_3a2b:B-Cs-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_mC30_8_a_a_2a4b_3a4b:B-Cs-Mg-O, expected CsMg10BO11 to be CsMg6BO7" +mp-1099221,CsMg6BO7,-5.5006636453,-2.0471106172,0.7461833053,0.7461833053,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:B-Cs-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:B-Cs-Mg-O, expected CsMg10BO11 to be CsMg6BO7" +mp-1099225,CsMg6BO7,-5.472710418,-2.0191573899,0.7741365327,0.7741365327,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:B-Cs-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:B-Cs-Mg-O, expected CsMg10BO11 to be CsMg6BO7" +mp-1019721,CsMgBO3,-6.7555007734,-2.7529773857,0.0024359532,0.0024359532,GGA,P2_1/c,ABCD3_mP96_14_4e_4e_4e_12e:B-Cs-Mg-O,96.0,ABCD3_mP96_14_4e_4e_4e_12e:B-Cs-Mg-O +mp-1016304,CsMg6B,-1.7193209638,0.4277383416,0.4521799596,0.4521799596,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Cs-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Cs-Mg +mp-1016422,CsMg6B,-1.7727999831,0.3742593222,0.3987009403,0.3987009403,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Cs-Mg, expected CsMg12B to be CsMg6B" +mp-1099218,CsMg14BO16,-6.0706758884,-2.660496694,0.3375510503,0.3375510503,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Cs-Mg-O, expected CsMg18BO20 to be CsMg14BO16" +mp-1099260,CsMg14BO15,-5.9028915852,-2.5422772138000003,0.3855954839,0.3855954839,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Cs-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Cs-Mg-O +mp-1099263,CsMg6BO8,-5.8346313669,-2.2877573586,0.6542978306,0.6542978306,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Cs-Mg-O, expected CsMg6BO12 to be CsMg6BO8" +mp-1033526,CsMg6BO8,-5.4882768388,-1.9414028304,1.0006523587,1.0006523587,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Cs-Mg-O, expected CsMg6BO12 to be CsMg6BO8" +mp-1039625,CsMg30BO32,-6.2167114622,-2.8748796746,0.1511643472,0.1511643472,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Cs-Mg-O, expected CsMg90BO80 to be CsMg30BO32" +mp-1098541,CsMg30BO32,-6.159531798,-2.8177000104000003,0.2083440114,0.2083440114,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Cs-Mg-O, expected CsMg110BO72 to be CsMg30BO32" +mp-1039931,CsMg30BO31,-6.1369079014,-2.8205500333,0.1714077954,0.1714077954,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:B-Cs-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:B-Cs-Mg-O, expected CsMg38BO39 to be CsMg30BO31" +mp-1098533,CsMg30BO31,-6.076041503,-2.7596836349,0.2322741938,0.2322741938,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:B-Cs-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:B-Cs-Mg-O, expected CsMg38BO39 to be CsMg30BO31" +mp-1098613,CsMg30BO31,-6.1457881335,-2.8294302654,0.1625275633,0.1625275633,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:B-Cs-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:B-Cs-Mg-O, expected CsMg38BO39 to be CsMg30BO31" +mp-1195223,Ga2B3O8,-7.4779552229,-2.4265800654,0.0611082325,0.0611082325,GGA,Cmce,A3B2C8_oC104_64_eg_df_2f3g:B-Ga-O,52.0,A3B2C8_oC104_64_eg_df_2f3g:B-Ga-O +mp-1078259,GaBO3,-7.440028688,-2.5305179026,0.0037719632,0.0037719632,GGA,R-3c,ABC3_hR30_167_a_b_e:B-Ga-O,10.0,ABC3_hR30_167_a_b_e:B-Ga-O +mp-1184023,GaBO3,-6.037222814,-1.1277120286,1.4065778372,1.4065778372,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ga-O,5.0,ABC3_cP5_221_b_a_c:B-Ga-O +mp-1033774,Mg14GaBO16,-6.2032636837,-2.7264378127,0.2422996922,0.2422996922,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Ga-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Ga-Mg-O, expected Mg18GaBO20 to be Mg14GaBO16" +mp-1033714,Mg14GaBO16,-6.1904494019,-2.7136235308,0.2551139741,0.2551139741,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Ga-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Ga-Mg-O, expected Mg30GaBO32 to be Mg14GaBO16" +mp-1033242,Mg6GaBO8,-6.0530656469,-2.3728982854,0.5105364251,0.5105364251,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Ga-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Ga-Mg-O, expected Mg6GaBO12 to be Mg6GaBO8" +mp-1033258,Mg6GaBO8,-6.08114048,-2.4009731185,0.482461592,0.482461592,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Ga-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Ga-Mg-O, expected Mg6GaBO12 to be Mg6GaBO8" +mp-1038428,Mg30GaBO32,-6.2607983539,-2.8856432281,0.1257456741,0.1257456741,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Ga-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Ga-Mg-O, expected Mg110GaBO72 to be Mg30GaBO32" +mp-1038427,Mg30GaBO32,-6.2656664597,-2.8905113339,0.1208775683,0.1208775683,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Ga-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Ga-Mg-O, expected Mg90GaBO80 to be Mg30GaBO32" +mp-1212929,Ga(BO)6,-5.9802496454,-0.3814358827,1.7995835217,1.7995835217,GGA,C2/m,A6BC6_mC26_12_ij_a_ij:B-Ga-O,13.0,"Invalid WP multiplicities - A6BC6_mC26_12_ij_a_2i3j:B-Ga-O, expected Ga(B3O8)2 to be Ga(BO)6" +mp-1224948,Ga4B2O9,-7.1079167903,-2.4418257215,0.0042875374,0.0042875374,GGA,Cm,A2B4C9_mC60_8_4a_4a2b_10a4b:B-Ga-O,30.0,A2B4C9_mC60_8_4a_4a2b_10a4b:B-Ga-O +mp-1225032,Ga4B2O9,-7.0712928147,-2.4052017458,0.0409115131,0.0409115131,GGA,C2/m,A2B4C9_mC60_12_2i_ef2i_5i2j:B-Ga-O,30.0,A2B4C9_mC60_12_2i_ef2i_5i2j:B-Ga-O +mp-1210623,MgGaBO4,-7.1924536586,-2.7503789888,0.0038212355,0.0038212355,GGA,Pnma,ABCD4_oP28_62_c_c_c_4c:B-Ga-Mg-O,28.0,ABCD4_oP28_62_c_c_c_4c:B-Ga-Mg-O +mp-1193970,Na7I2O5,-3.7148246518,-1.0764065582,0.5048806753,0.5048806753,GGA,P4/nmm,A2B7C5_tP28_129_ac_cej_ci:I-Na-O,28.0,A2B7C5_tP28_129_ac_cej_ci:I-Na-O +mp-769398,Na3IO,-3.5515433127,-1.4740171243,0.0040696573,0.0040696573,GGA,P6_3/mmc,AB3C_hP30_194_bf_hk_af:I-Na-O,30.0,"Invalid WP multiplicities - AB3C_hP30_194_2b3f_4h5k_a2f:I-Na-O, expected Na42I8O5 to be Na3IO" +mp-1104590,Mn(IO2)2,-5.3830128550000005,-0.8265124497,0.3340684812,0.3340684812,GGA+U,P2_1/c,A2BC4_mP14_14_e_a_2e:I-Mn-O,14.0,A2BC4_mP14_14_e_a_2e:I-Mn-O +mp-1180349,Mn(IO2)2,-5.37506878,-0.8185683747,0.3420125562,0.3420125562,GGA+U,P2_1/c,A2BC4_mP14_14_e_a_2e:I-Mn-O,14.0,A2BC4_mP14_14_e_a_2e:I-Mn-O +mp-1190260,Na2IO6,-4.7108549994,-0.9554606434,0.1563446171,0.1563446171,GGA,Pnnm,AB2C6_oP18_58_a_e_gh:I-Na-O,18.0,AB2C6_oP18_58_a_e_gh:I-Na-O +mp-559065,NaI3O8,-4.8078005404,-1.0314560376,0.0,-0.025667164,GGA,P-4,A3BC8_tP24_81_gh_ac_4h:I-Na-O,24.0,"Invalid WP multiplicities - A3BC8_tP24_81_2g2h_ac_15h:I-Na-O, expected Na(IO5)6 to be NaI3O8" +mp-1147628,NaIO2,-4.17066848,-0.9983512135,0.3602390058,0.3602390058,GGA,P4/mmm,ABC2_tP4_123_b_c_e:I-Na-O,4.0,ABC2_tP4_123_b_c_e:I-Na-O +mp-1210047,NaIO2,-4.1933792556,-1.0210619891,0.3375282302,0.3375282302,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:I-Na-O,16.0,ABC2_tI32_141_c_d_h:I-Na-O +mp-662702,NaIO4,-4.5547215058,-0.7909470911,0.3201492469,0.3201492469,GGA,P1,ABC4_aP12_1_2a_2a_8a:I-Na-O,12.0,"Invalid WP multiplicities - ABC4_tI24_80_a_a_5b:I-Na-O, expected NaIO10 to be NaIO4" +mp-1399651,NaIO4,-3.3144181392,0.4493562756,1.5604526135,1.5604526135,GGA,P1,ABC4_aP12_1_2a_2a_8a:I-Na-O,12.0,ABC4_aP12_1_2a_2a_8a:I-Na-O +mp-1103574,NaIO4,-4.51332559,-0.7495511753,0.3615451627,0.3615451627,GGA,C2,ABC4_mC24_5_c_c_4c:I-Na-O,12.0,ABC4_mC24_5_c_c_4c:I-Na-O +mp-27401,NaIO4,-4.8671862167,-1.1034118019,0.007684536,0.007684536,GGA,I4_1/a,ABC4_tI24_88_a_b_f:I-Na-O,12.0,ABC4_tI24_88_a_b_f:I-Na-O +mp-1210180,Na5IO6,-4.815948365,-1.6687712746,0.0,-0.3173730674,GGA,C2/m,AB5C6_mC24_12_a_dgh_ij:I-Na-O,12.0,AB5C6_mC24_12_a_dgh_ij:I-Na-O +mp-1205831,NaMnIO6,-6.0610877367,-1.4346389363,0.0,-0.091681999,GGA+U,P312,ABCD6_hP9_149_a_c_f_l:I-Mn-Na-O,9.0,ABCD6_hP9_149_a_c_f_l:I-Mn-Na-O +mp-22937,Na4I2O,-3.3782158686,-1.4948554993,0.0,-0.0177108995,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:I-Na-O,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2c2e_a:I-Na-O, expected Na8I2O to be Na4I2O" +mp-554980,Mn(IO3)2,-5.8203148389,-1.1771059212,0.0,-0.0771828478,GGA+U,P2_1,A2BC6_mP18_4_2a_a_6a:I-Mn-O,18.0,A2BC6_mP18_4_2a_a_6a:I-Mn-O +mp-771237,Mn(IO3)2,-5.7776794631,-1.1344705453,0.0426353758,-0.034547472,GGA+U,P2_1/c,A2BC6_mP36_14_2e_e_6e:I-Mn-O,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_3e_e_21e:I-Mn-O, expected Mn(IO7)3 to be Mn(IO3)2" +mp-771330,Mn(IO3)2,-5.8017236975,-1.1585147798,0.0185911414,-0.0585917064,GGA+U,P2_12_12_1,A2BC6_oP36_19_2a_a_6a:I-Mn-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_19_5a_a_21a:I-Mn-O, expected MnI5O21 to be Mn(IO3)2" +mp-771047,Mn(IO3)2,-5.7796255444,-1.1364166267,0.0406892944,-0.0364935534,GGA+U,Pbcn,A2BC6_oP36_60_d_c_3d:I-Mn-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_d_c_9d:I-Mn-O, expected Mn(IO9)2 to be Mn(IO3)2" +mp-559252,NaIO3,-4.727220109,-1.2000285536,0.133287052,0.0482489662,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:I-Na-O,20.0,"Invalid WP multiplicities - ABC3_oP20_33_a_a_6a:I-Na-O, expected NaIO6 to be NaIO3" +mp-22989,NaIO3,-4.860507161,-1.3333156056,0.0,-0.0850380858,GGA,Pnma,ABC3_oP20_62_c_a_cd:I-Na-O,20.0,ABC3_oP20_62_c_a_cd:I-Na-O +mp-545825,NaIO3,-3.82985387,-0.3026623146,1.030653291,0.9456152052,GGA,Cmmm,ABC3_oC10_65_a_c_bf:I-Na-O,5.0,ABC3_oC10_65_a_c_bf:I-Na-O +mp-27528,Cd4As2I3,-2.4373900307,-0.5007350418000001,0.005952735,0.005952735,GGA,Pa-3,A2B4C3_cP72_205_2c_cd_d:As-Cd-I,72.0,A2B4C3_cP72_205_2c_cd_d:As-Cd-I +mp-676464,Cd3AsI3,-2.3188184329,-0.626263185,0.0,-0.0237959297,GGA,Pm,AB3C3_mP7_6_a_2ab_a2b:As-Cd-I,7.0,AB3C3_mP7_6_a_2ab_a2b:As-Cd-I +mp-27577,Cd2As3I,-3.161573645,-0.2788234642,0.0051936058,0.0051936058,GGA,C2/c,A3B2C_mC24_15_ef_f_e:As-Cd-I,12.0,"Invalid WP multiplicities - A3B2C_mC24_15_e2f_f_e:As-Cd-I, expected Cd2As5I to be Cd2As3I" +mp-570838,CdHg4(AsI2)2,-2.0093751236,-0.4321648118,0.0,-0.0225138886,GGA,P2_1,A2BC4D4_mP22_4_2a_a_4a_4a:As-Cd-Hg-I,22.0,"Invalid WP multiplicities - A2BC4D4_mP22_4_4a_a_6a_7a:As-Cd-Hg-I, expected CdHg6As4I7 to be CdHg4(AsI2)2" +mp-1209329,PrVO3,-8.9472159065,-3.2062403148,0.0,-0.0706547665,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Pr-V,20.0,A3BC_oP20_62_cd_c_a:O-Pr-V +mp-1069346,PrVO3,-8.735173972,-2.9941983803000003,0.2120419345,0.141387168,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Pr-V,5.0,A3BC_cP5_221_c_a_b:O-Pr-V +mp-1213836,CeVO2,-8.6480408381,-2.4204476763,0.5523468609000001,0.5523468609000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Ce-O-V,16.0,AB2C_tI32_141_c_h_d:Ce-O-V +mp-1191389,PrVO4,-8.7291392421,-3.1205447971,0.0463677346,-0.2281436034,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pr-V,24.0,A4BC_mP24_14_4e_e_e:O-Pr-V +mp-19169,PrVO4,-8.775506976700001,-3.1669125317,0.0,-0.274511338,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-Pr-V,12.0,A4BC_tI24_141_h_a_b:O-Pr-V +mp-1044729,PrV2O6,-8.6055960372,-2.7579460192000003,0.1803702999999999,0.1803702999999999,GGA+U,P2_1,A6BC2_mP18_4_6a_a_2a:O-Pr-V,18.0,"Invalid WP multiplicities - A6BC2_mP18_4_12a_a_3a:O-Pr-V, expected PrV3O12 to be PrV2O6" +mp-1209973,PrV2O2,-7.4720156985,-0.903596635,1.4104368123,1.4104368123,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Pr-V,20.0,A2BC2_tI40_141_h_c_h:O-Pr-V +mp-1237139,PrV2O2,-7.458518529,-0.8900994655000001,1.4239339818,1.4239339818,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Pr-V,20.0,A2BC2_tI40_141_h_c_h:O-Pr-V +mp-18769,CeVO3,-9.1987452875,-3.2273330158,0.0,-0.0047924354,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ce-O-V,20.0,AB3C_oP20_62_c_cd_a:Ce-O-V +mp-22593,CeVO3,-8.936921746,-2.9655094743,0.2618235415,0.2570311061,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ce-O-V,5.0,AB3C_cP5_221_a_c_b:Ce-O-V +mp-541244,CeVO4,-8.8936876675,-3.0930626558,0.11215494,0.11215494,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-V,24.0,AB4C_mP24_14_e_4e_e:Ce-O-V +mp-1182128,CeVO4,-8.8553683446,-3.0547433329,0.1504742629,0.1504742629,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-V,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Ce-O-V, expected CeVO13 to be CeVO4" +mp-1191330,CeVO4,-8.8966830304,-3.0960580187,0.1091595771,0.1091595771,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-V,24.0,AB4C_mP24_14_e_4e_e:Ce-O-V +mp-1103666,CeVO4,-8.93414416,-3.1335191483,0.0716984475,0.0716984475,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Ce-O-V,12.0,AB4C_tI24_88_a_f_b:Ce-O-V +mp-19214,CeVO4,-8.9499834483,-3.1493584367,0.0558591592,0.0558591592,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Ce-O-V,12.0,AB4C_tI24_141_a_h_b:Ce-O-V +mp-1182413,CaV2O10,-6.7056612681,-1.348715181,0.52098982,0.52098982,GGA+U,P-1,AB10C2_aP26_2_i_10i_2i:Ca-O-V,26.0,AB10C2_aP26_2_i_10i_2i:Ca-O-V +mp-728503,CaV2O10,-6.6671586196,-1.3102125325,0.5594924685,0.5594924685,GGA+U,P-1,AB10C2_aP26_2_i_10i_2i:Ca-O-V,26.0,AB10C2_aP26_2_i_10i_2i:Ca-O-V +mp-1386496,CaV2O10,-3.7485904981,1.608355589,3.47806059,3.47806059,GGA+U,P-1,AB10C2_aP26_2_i_10i_2i:Ca-O-V,26.0,AB10C2_aP26_2_i_10i_2i:Ca-O-V +mp-1344143,Ca2V2O5,-8.0026863711,-2.7901913204,0.1240741892,0.1240741892,GGA+U,Pbam,A2B5C2_oP18_55_h_agh_g:Ca-O-V,18.0,"Invalid WP multiplicities - A2B5C2_oP18_55_h_2a2g3h_g:Ca-O-V, expected CaVO6 to be Ca2V2O5" +mp-1048685,CaV4O10,-8.42024091,-2.5663668252000003,0.0464937333,0.0464937333,GGA+U,Pmm2,AB10C4_oP15_25_a_bc2e2f_ef:Ca-O-V,15.0,"Invalid WP multiplicities - AB10C4_oP15_25_a_bc4e3f_2ef:Ca-O-V, expected CaV6O16 to be CaV4O10" +mp-1048644,CaV4O10,-8.3835920067,-2.5297179218,0.0831426367,0.0831426367,GGA+U,Amm2,AB10C4_oC30_38_a_ab4c_2c:Ca-O-V,15.0,"Invalid WP multiplicities - AB10C4_oC30_38_a_ab7c_3c:Ca-O-V, expected CaV6O16 to be CaV4O10" +mp-1227738,CaV8O24,-7.4682737203,-1.6077471291,0.5860318884,0.5860318884,GGA+U,Pm,AB24C8_mP33_6_a_12a12b_4a4b:Ca-O-V,33.0,AB24C8_mP33_6_a_12a12b_4a4b:Ca-O-V +mp-1228127,CaV6O23,-6.819651142,-1.1435552534,0.7352845263000001,0.7352845263000001,GGA+U,Pm,AB23C6_mP30_6_a_12a11b_3a3b:Ca-O-V,30.0,AB23C6_mP30_6_a_12a11b_3a3b:Ca-O-V +mp-19347,CaV3O7,-8.5202674809,-2.7126184747,0.0020663727,0.0020663727,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:Ca-O-V,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Ca-O-V, expected CaV5O7 to be CaV3O7" +mp-1370470,Ca3V2O7,-7.8963130333,-2.9953603034,0.0043022866,0.0043022866,GGA+U,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Ca-O-V,24.0,"Invalid WP multiplicities - A3B7C2_oC48_36_ab_a4b_b:Ca-O-V, expected Ca3V2O9 to be Ca3V2O7" +mp-27624,CaV2O6,-8.2399677,-2.7006850014,0.0,-0.03250384,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Ca-O-V,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_5i_i:Ca-O-V, expected CaV2O10 to be CaV2O6" +mp-1342904,CaV2O6,-8.1080748106,-2.5687921119,0.1318928894,0.0993890494,GGA+U,Pmn2_1,AB6C2_oP18_31_a_2a2b_b:Ca-O-V,18.0,"Invalid WP multiplicities - AB6C2_oP18_31_a_3a7b_b:Ca-O-V, expected CaV2O17 to be CaV2O6" +mp-18866,CaV4O9,-8.55983615,-2.6411631099,0.0234729618,0.0234729618,GGA+U,P4/n,AB9C4_tP28_85_c_a2g_g:Ca-O-V,28.0,AB9C4_tP28_85_c_a2g_g:Ca-O-V +mp-1191309,CaV2O8,-7.0395106064,-1.6079722691,0.6016790957,0.6016790957,GGA+U,P-1,AB8C2_aP22_2_i_8i_2i:Ca-O-V,22.0,AB8C2_aP22_2_i_8i_2i:Ca-O-V +mp-1046185,Ca2Ta2VO8,-9.0782675135,-3.2025620688,0.0751222758,0.0751222758,GGA+U,C2/c,A2B8C2D_mC52_15_f_4f_f_e:Ca-O-Ta-V,52.0,A2B8C2D_mC52_15_f_4f_f_e:Ca-O-Ta-V +mp-1373426,Ca2TaVO6,-8.719594647000001,-3.2562930743000003,0.0,-0.0070658517,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Ta-V,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Ca-O-Ta-V, expected Ca3TaVO18 to be Ca2TaVO6" +mp-1214210,Ca5V3O12,-7.8476970055,-3.0156978982,0.0070437305,0.0070437305,GGA+U,Pnma,A5B12C3_oP80_62_c2d_2c5d_cd:Ca-O-V,80.0,A5B12C3_oP80_62_c2d_2c5d_cd:Ca-O-V +mp-19305,CaV2O5,-8.4156271519,-2.8022702048,0.0,-0.0080042565,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-O-V,16.0,AB5C2_oP16_59_a_b2e_e:Ca-O-V +mp-1043217,CaV2O5,-8.3728515525,-2.7594946055,0.0427755994,0.0347713429,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Ca-O-V,16.0,AB5C2_oC32_63_c_c2f_f:Ca-O-V +mp-1194234,Ca2V2O9,-7.3052956381,-2.1745871534,0.2867779787,0.2867779787,GGA+U,P-1,A2B9C2_aP26_2_2i_9i_2i:Ca-O-V,26.0,A2B9C2_aP26_2_2i_9i_2i:Ca-O-V +mp-1214138,Ca5V3O13,-7.7877260833,-2.9502655664,0.0038494226,0.0038494226,GGA+U,P6_3,A5B13C3_hP42_173_2bc_a4c_c:Ca-O-V,42.0,A5B13C3_hP42_173_2bc_a4c_c:Ca-O-V +mp-725923,Ca5V3O13,-7.785901201,-2.948440684,0.0056743049,0.0056743049,GGA+U,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-V,42.0,A5B13C3_hP42_176_fh_a2hi_h:Ca-O-V +mp-1227849,CaV4O15,-7.1080900205,-1.4810122791,0.535771681,0.535771681,GGA+U,P1,AB15C4_aP20_1_a_15a_4a:Ca-O-V,20.0,AB15C4_aP20_1_a_15a_4a:Ca-O-V +mp-758028,Ca3V10O25,-8.390124082,-2.586885184,0.0700659166,0.0700659166,GGA+U,P1,A3B25C10_aP76_1_6a_50a_20a:Ca-O-V,76.0,A3B25C10_aP76_1_6a_50a_20a:Ca-O-V +mp-1666509,CaV5O7,-8.7317613519,-2.4200727974,0.0638990376,0.0638990376,GGA+U,Cm,AB7C5_mC52_8_2a_14a_10a:Ca-O-V,26.0,AB7C5_mC52_8_2a_14a_10a:Ca-O-V +mp-1650409,CaV5O7,-8.7606630177,-2.4489744632,0.0349973718,0.0349973718,GGA+U,Cmc2_1,AB7C5_oC52_36_a_7a_5a:Ca-O-V,26.0,"Invalid WP multiplicities - AB7C5_oC52_63_c_c3f_a4f:Ca-O-V, expected CaV9O7 to be CaV5O7" +mp-1652156,CaV5O7,-8.75355517,-2.4418666155,0.0421052195,0.0421052195,GGA+U,Amm2,AB7C5_oC52_38_ab_ab6c_5c:Ca-O-V,26.0,"Invalid WP multiplicities - AB7C5_oC52_38_ab_ab9c_5c:Ca-O-V, expected CaV5O10 to be CaV5O7" +mp-1323814,CaV5O7,-8.7732235615,-2.461535007,0.022436828,0.022436828,GGA+U,Cmcm,AB7C5_oC52_63_c_c3f_a2f:Ca-O-V,26.0,AB7C5_oC52_63_c_c3f_a2f:Ca-O-V +mp-1435359,CaVO3,-8.115363726,-2.9294493093,0.0088146909,0.0088146909,GGA+U,P2_1/c,AB3C_mP20_14_e_3e_ab:Ca-O-V,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_4e_ab:Ca-O-V, expected CaVO4 to be CaVO3" +mp-22608,CaVO3,-8.1230217905,-2.9371073738,0.0011566264,0.0011566264,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-V,20.0,AB3C_oP20_62_c_cd_a:Ca-O-V +mp-1016853,CaVO3,-8.017946754,-2.8320323373000003,0.1062316629,0.1062316629,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ca-O-V,5.0,AB3C_cP5_221_a_c_b:Ca-O-V +mp-27614,Ca2V2O7,-8.0730526905,-2.9088860651,0.0,-0.0245057693,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Ca-O-V,22.0,A2B7C2_aP22_2_2i_7i_2i:Ca-O-V +mp-891956,Ca10V6O25,-7.8544001183,-3.0196037036,0.0063454565,0.0063454565,GGA+U,P3,A10B25C6_hP41_143_2a2b2d_c8d_2d:Ca-O-V,41.0,"Invalid WP multiplicities - A10B25C6_hP41_143_2a2b6d_c24d_6d:Ca-O-V, expected Ca22V18O73 to be Ca10V6O25" +mp-891955,Ca10V6O25,-7.825604098,-2.9908076834,0.0351414768,0.0351414768,GGA+U,P-3,A10B25C6_hP41_147_2dg_a4g_g:Ca-O-V,41.0,A10B25C6_hP41_147_2dg_a4g_g:Ca-O-V +mp-1284741,Ca2V3O8,-8.3123082462,-2.8633522723,0.0,-0.0077784845,GGA+U,C2/m,A2B8C3_mC26_12_i_2ij_ah:Ca-O-V,13.0,A2B8C3_mC26_12_i_2ij_ah:Ca-O-V +mp-1663141,Ca2V3O8,-8.2277205462,-2.7787645723,0.0845877,0.0768092155,GGA+U,P6_3,A2B8C3_hP26_173_2b_ab2c_c:Ca-O-V,26.0,A2B8C3_hP26_173_2b_ab2c_c:Ca-O-V +mp-1042856,Ca2V3O8,-8.2150894108,-2.7661334369,0.0972188354,0.0894403508,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Ca-O-V,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Ca-O-V, expected Ca2V3O12 to be Ca2V3O8" +mp-1182001,Ca3V2O8,-7.87895414,-2.9744832577,0.0370707035,0.021699407,GGA+U,C2/m,A3B8C2_mC26_12_ai_2ij_i:Ca-O-V,13.0,"Invalid WP multiplicities - A3B8C2_mC26_12_ai_4i2j_i:Ca-O-V, expected Ca3V2O16 to be Ca3V2O8" +mp-532028,Ca3V2O8,-7.9160248435,-3.0115539612,0.0,-0.0153712965,GGA+U,R3,A3B8C2_hR273_146_3a6b_2a18b_2a4b:Ca-O-V,91.0,"Invalid WP multiplicities - A3B8C2_hR273_146_3a10b_2a43b_2a4b:Ca-O-V, expected Ca33V14O131 to be Ca3V2O8" +mp-505741,Ca3V2O8,-7.8805798223,-2.97610894,0.0354450212,0.0200737247,GGA+U,R-3m,A3B8C2_hR39_166_ac_ch_c:Ca-O-V,13.0,"Invalid WP multiplicities - A3B8C2_hR39_166_ac_c2h_c:Ca-O-V, expected Ca3V2O14 to be Ca3V2O8" +mp-1391864,CaV4O8,-8.6049389,-2.6114978346,0.0880957797,0.0880957797,GGA+U,Cm,AB8C4_mC26_8_a_8a_4a:Ca-O-V,13.0,AB8C4_mC26_8_a_8a_4a:Ca-O-V +mp-1386972,CaV4O8,-8.5968144854,-2.60337342,0.0962201943,0.0962201943,GGA+U,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-O-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-O-V, expected CaV4O14 to be CaV4O8" +mp-1395075,CaVO2,-7.6136001888,-2.3678793456,0.3689290431,0.3689290431,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Ca-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-V, expected Ca2V3O7 to be CaVO2" +mp-1043797,CaVO2,-7.608591965,-2.3628711219,0.3739372669,0.3739372669,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Ca-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-V, expected Ca2V3O7 to be CaVO2" +mp-1046296,CaVO2,-7.7171576062,-2.4714367631,0.2653716256,0.2653716256,GGA+U,I4/m,AB2C_tI32_87_h_2h_h:Ca-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Ca-O-V, expected Ca2V3O7 to be CaVO2" +mp-1835930,CaV2O4,-8.4963809086,-2.7877856421,0.0143684304,-0.0320904384,GGA+U,P2_1,AB4C2_mP28_4_2a_8a_4a:Ca-O-V,28.0,"Invalid WP multiplicities - AB4C2_aP28_2_2i_16i_abcg4i:Ca-O-V, expected CaV3O8 to be CaV2O4" +mp-1365417,CaV2O4,-8.3936571981,-2.6850619317,0.1170921408,0.0706332721,GGA+U,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Ca-O-V,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Ca-O-V, expected CaV3O6 to be CaV2O4" +mp-1041051,CaV2O4,-8.4680614767,-2.7594662102000003,0.0426878623,-0.0037710065,GGA+U,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Ca-O-V,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a11b_6a6b:Ca-O-V, expected Ca3V9O17 to be CaV2O4" +mp-1337082,CaV2O4,-8.1423882221,-2.4337929557,0.3683611168,0.321902248,GGA+U,P2_1/m,AB4C2_mP28_11_2e_4f_acf:Ca-O-V,28.0,"Invalid WP multiplicities - AB4C2_mP28_11_2e_7f_2adf:Ca-O-V, expected Ca2V5O14 to be CaV2O4" +mp-1446592,CaV2O4,-8.39433599,-2.6857407236,0.1164133489,0.0699544802,GGA+U,C2/m,AB4C2_mC28_12_i_4i_2i:Ca-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Ca-O-V, expected CaV3O7 to be CaV2O4" +mp-504712,CaV2O4,-8.5107493389,-2.8021540725,0.0,-0.0464588687,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-V,28.0,AB4C2_oP28_62_c_4c_2c:Ca-O-V +mp-1376320,CaV2O4,-8.4968338846,-2.7882386182000003,0.0139154543,-0.0325434145,GGA+U,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Ca-O-V,28.0,AB4C2_oP28_59_ab_2eg_ce:Ca-O-V +mp-1047673,CaV2O4,-8.48015796,-2.7715626936,0.0305913789,-0.0158674898,GGA+U,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-V,14.0,AB4C2_oC28_63_c_acf_f:Ca-O-V +mp-1041949,CaV2O4,-8.2505407979,-2.5419455314,0.2602085411,0.2137496723,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Ca-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_2h3i_ce:Ca-O-V, expected CaV2O10 to be CaV2O4" +mp-1317973,CaV2O4,-8.4822051643,-2.7736098979,0.0285441746,-0.0179146941,GGA+U,I4_1/amd,AB4C2_tI28_141_a_h_d:Ca-O-V,14.0,AB4C2_tI28_141_a_h_d:Ca-O-V +mp-1041142,CaV2O4,-8.445413431,-2.7368181645,0.065335908,0.0188770392,GGA+U,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Ca-O-V,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c13d_a2b7d:Ca-O-V, expected Ca2V8O15 to be CaV2O4" +mp-1048922,CaV2O4,-8.4188825875,-2.7102873211,0.0918667514,0.0454078827,GGA+U,R3m,AB4C2_hR42_160_2a_2a2b_ab:Ca-O-V,28.0,"Invalid WP multiplicities - AB4C2_hR42_160_2a_2a2b_a2b:Ca-O-V, expected Ca2V7O8 to be CaV2O4" +mp-1403906,CaV2O4,-8.4809813736,-2.7723861071,0.0297679654,-0.0166909034,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-V,14.0,AB4C2_cF56_227_a_e_d:Ca-O-V +mp-1567941,CaV4O6,-8.695439220899999,-2.5116795457,0.0397854912,0.0397854912,GGA+U,Cm,AB6C4_mC44_8_2a_12a_8a:Ca-O-V,22.0,AB6C4_mC44_8_2a_12a_8a:Ca-O-V +mp-1573005,CaV4O6,-8.6929779418,-2.5092182666,0.0422467703,0.0422467703,GGA+U,C2/m,AB6C4_mC44_12_i_ac5i_4i:Ca-O-V,22.0,"Invalid WP multiplicities - AB6C4_mC44_12_i_ad5i_6i:Ca-O-V, expected CaV6O6 to be CaV4O6" +mp-1044005,CaV4O6,-8.7093458709,-2.5255861957,0.0258788412,0.0258788412,GGA+U,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Ca-O-V,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_4f:Ca-O-V, expected CaV8O6 to be CaV4O6" +mp-1214335,CaV2O2,-7.050688832,-1.0373309435,1.1521157675,1.1521157675,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Ca-O-V,20.0,AB2C2_tI40_141_c_h_h:Ca-O-V +mp-21190,PbSO3,-6.254194124,-1.7163615099,0.0423396515,0.0423396515,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:O-Pb-S,10.0,A3BC_mP10_11_ef_e_e:O-Pb-S +mp-20507,PbSO3,-6.2557454225,-1.7179128084,0.040788353,0.040788353,GGA,Pnma,A3BC_oP20_62_cd_c_c:O-Pb-S,20.0,A3BC_oP20_62_cd_c_c:O-Pb-S +mp-1193018,Pb4S2O7,-5.710131845,-1.267800384,0.4051311312,0.4051311312,GGA,P-1,A7B4C2_aP26_2_7i_4i_2i:O-Pb-S,26.0,A7B4C2_aP26_2_7i_4i_2i:O-Pb-S +mp-780570,Ti(SO4)2,-7.2803949826,-2.2129493971,0.0032488944,-0.0207832098,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-Ti,88.0,"Invalid WP multiplicities - A8B2C_oP88_61_29c_5c_c:O-S-Ti, expected TiS5O29 to be Ti(SO4)2" +mp-775149,Ti(SO4)2,-7.283643877,-2.2161982915,0.0,-0.0240321041,GGA,R3,A8B2C_hR99_146_8b_2b_3a:O-S-Ti,33.0,"Invalid WP multiplicities - A8B2C_hR99_146_18b_2b_3a:O-S-Ti, expected Ti(SO9)2 to be Ti(SO4)2" +mp-772410,Ti(SO4)2,-7.2788282888,-2.2113827033,0.0048155882,-0.019216516,GGA,R3,A8B2C_hR99_146_8b_2b_3a:O-S-Ti,33.0,"Invalid WP multiplicities - A8B2C_hR99_146_18b_2b_3a:O-S-Ti, expected Ti(SO9)2 to be Ti(SO4)2" +mp-1220658,Pb3(SO6)2,-5.9103223215,-1.2767278815,0.2706134243,0.2706134243,GGA,P2_12_12_1,A12B3C2_oP68_19_12a_3a_2a:O-Pb-S,68.0,"Invalid WP multiplicities - A12B3C2_oP68_19_44a_11a_7a:O-Pb-S, expected Pb11S7O44 to be Pb3(SO6)2" +mp-768459,Ti2(SO4)3,-7.4242889606,-2.2736655389,0.0892475808,0.0892475808,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-S-Ti,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_11e_3e:O-S-Ti, expected Ti3S11O45 to be Ti2(SO4)3" +mp-768516,Ti2(SO4)3,-7.4297038459,-2.2790804242,0.0838326955,0.0838326955,GGA,R-3,A12B3C2_hR102_148_4f_f_2c:O-S-Ti,34.0,A12B3C2_hR102_148_4f_f_2c:O-S-Ti +mp-505270,TiSO5,-7.7838826771,-2.5316847572,0.0112001978,-0.0398533317,GGA,C2/c,A5BC_mC56_15_5f_f_ce:O-S-Ti,28.0,A5BC_mC56_15_5f_f_ae:O-S-Ti +mp-559283,TiSO5,-7.7950828749,-2.5428849549,0.0,-0.0510535294,GGA,Pmc2_1,A5BC_oP112_26_8a8b12c_4a4b_4a4b:O-S-Ti,112.0,"Invalid WP multiplicities - A5BC_oP112_26_16a16b46c_8a8b_7a8b:O-S-Ti, expected Ti15(S4O31)4 to be TiSO5" +mp-554944,TiSO5,-7.7932285993,-2.5410306793,0.0018542756,-0.0491992538,GGA,Pnma,A5BC_oP28_62_a2cd_c_c:O-S-Ti,28.0,"Invalid WP multiplicities - A5BC_oP28_62_3a8c3d_c_c:O-S-Ti, expected TiSO17 to be TiSO5" +mp-21497,Pb2SO5,-6.3726819012,-1.8357834559,0.0,-0.0360871453,GGA,C2/m,A5B2C_mC32_12_g2ij_2i_i:O-Pb-S,16.0,"Invalid WP multiplicities - A5B2C_mC32_12_g2i2j_2i_i:O-Pb-S, expected Pb2SO7 to be Pb2SO5" +mp-505603,Pb5SO8,-6.1295298396,-1.6814444892,0.0,-0.0025485306,GGA,P2_1/c,A8B5C_mP56_14_8e_5e_e:O-Pb-S,56.0,A8B5C_mP56_14_8e_5e_e:O-Pb-S +mp-21904,PbS2O3,-5.8801312029,-1.4091957133,0.0688321598,0.0688321598,GGA,Pbca,A3BC2_oP48_61_3c_c_2c:O-Pb-S,48.0,"Invalid WP multiplicities - A3BC2_oP48_61_3c_c_4c:O-Pb-S, expected PbS4O3 to be PbS2O3" +mp-623984,PbSO4,-6.47291834,-1.866943043,0.0,-0.0682671624,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-Pb-S,24.0,"Invalid WP multiplicities - A4BC_oP24_62_8c6d_c_c:O-Pb-S, expected PbSO20 to be PbSO4" +mp-1204592,PbS3O10,-6.4411874934,-1.7562672232,0.0,-0.054201151,GGA,Pbcn,A10BC3_oP56_60_5d_c_cd:O-Pb-S,56.0,A10BC3_oP56_60_5d_c_cd:O-Pb-S +mp-1193720,Pb4SO8,-6.0018288254,-1.4971712995,0.1723663248,0.1723663248,GGA,P-1,A8B4C_aP26_2_8i_4i_i:O-Pb-S,26.0,A8B4C_aP26_2_8i_4i_i:O-Pb-S +mp-1203799,TiPb(S2O7)3,-6.7657475047,-1.9275647038,0.0,-0.0213731277,GGA,P2_1/c,A21BC6D_mP116_14_21e_e_6e_e:O-Pb-S-Ti,116.0,A21BC6D_mP116_14_21e_e_6e_e:O-Pb-S-Ti +mp-559143,Pb3SO6,-6.2548006055,-1.7593482711,0.0044103337,0.0044103337,GGA,P-1,A6B3C_aP20_2_6i_3i_i:O-Pb-S,20.0,"Invalid WP multiplicities - A6B3C_aP20_2_12i_5i_i:O-Pb-S, expected Pb5SO12 to be Pb3SO6" +mp-22023,Pb3SO6,-6.2524859905,-1.7570336561,0.0067249487,0.0067249487,GGA,P2_1/m,A6B3C_mP20_11_2e2f_3e_e:O-Pb-S,20.0,A6B3C_mP20_11_2e2f_3e_e:O-Pb-S +mp-22577,Pb3SO6,-6.2342067045,-1.7387543701,0.0250042347,0.0250042347,GGA,Cmcm,A6B3C_oC40_63_efg_cg_c:O-Pb-S,20.0,"Invalid WP multiplicities - A6B3C_oC40_63_3e3f3g_2c2g_c:O-Pb-S, expected Pb6SO18 to be Pb3SO6" +mp-1178941,TiSO6,-7.1817554738,-1.9677462049,0.2572781307,0.2572781307,GGA,Pnma,A6BC_oP32_62_a3cd_c_c:O-S-Ti,32.0,A6BC_oP32_62_a3cd_c_c:O-S-Ti +mp-1196949,TiSO6,-7.1817227991,-1.9677135302,0.2573108054,0.2573108054,GGA,Pnma,A6BC_oP32_62_a3cd_c_c:O-S-Ti,32.0,A6BC_oP32_62_a3cd_c_c:O-S-Ti +mp-755258,TmVO3,-9.002079601,-3.3221180756,0.0,-0.0077111896,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Tm-V,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Tm-V, expected TmVO7 to be TmVO3" +mp-19068,TmVO4,-8.7761109808,-3.2183615911,0.0,-0.176942616,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-Tm-V,12.0,A4BC_tI24_141_h_a_b:O-Tm-V +mp-19036,Tm2V2O7,-8.8752371668,-3.2619368063,0.0035868232,0.0035868232,GGA+U,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Tm-V,22.0,A7B2C2_cF88_227_af_c_d:O-Tm-V +mp-2227841,Tm2MgV2O8,-8.3373071769,-3.0839785056,0.1534461539,0.1534461539,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Tm-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_7c_ab_ab:Mg-O-Tm-V, expected Tm2MgV2O14 to be Tm2MgV2O8" +mp-1208189,TmV2O2,-7.5967865495,-1.0893815523,1.3824920403,1.3824920403,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Tm-V,20.0,A2BC2_tI40_141_h_c_h:O-Tm-V +mp-727776,Th6OF24,-7.3504024252,-4.2760368306,0.0781263797,0.0781263797,GGA,I4/m,A24BC6_tI62_87_gh2i_a_eh:F-O-Th,31.0,A24BC6_tI62_87_gh2i_a_eh:F-O-Th +mp-1208339,Th5OF19,-7.4192629096,-4.2858996958,0.11949634,0.11949634,GGA,Cmcm,A19BC5_oC100_63_ae4g2h_c_ceg:F-O-Th,50.0,A19BC5_oC100_63_ae4g2h_c_ceg:F-O-Th +mp-1225774,Er2ThOF10,-6.8743251064,-3.9735555167,0.1885678144,0.1885678144,GGA,I4/mmm,A2B10CD_tI56_139_h_imn_d_e:Er-F-O-Th,28.0,"Invalid WP multiplicities - A2B10CD_tI56_139_h_4i4mn_d_e:Er-F-O-Th, expected Er2ThOF28 to be Er2ThOF10" +mp-23675,H4BrN,-4.6197387567,-0.7096675175,0.0,-0.2410427433,GGA,P4/nmm,AB4C_tP12_129_c_i_a:Br-H-N,12.0,AB4C_tP12_129_c_i_a:Br-H-N +mp-36248,H4BrN,-4.6091987667000005,-0.6991275275000001,0.01053999,-0.2305027533,GGA,P-43m,AB4C_cP6_215_a_e_b:Br-H-N,6.0,AB4C_cP6_215_a_e_b:Br-H-N +mp-759651,ScH6Br3N2,-5.1038697685,-1.102128084,0.0,-0.0143487776,GGA,P-1,A3B6C2D_aP48_2_6i_12i_4i_2i:Br-H-N-Sc,48.0,"Invalid WP multiplicities - A3B6C2D_aP48_2_11i_23i_7i_3i:Br-H-N-Sc, expected Sc3H23Br11N7 to be ScH6Br3N2" +mp-24215,ScH3Br3N,-5.0757502547,-1.3874718603,0.0,-0.0279572889,GGA,P-1,A3B3CD_aP32_2_6i_6i_2i_2i:Br-H-N-Sc,32.0,"Invalid WP multiplicities - A3B3CD_aP32_2_8i_7i_2i_4i:Br-H-N-Sc, expected Sc4H7(Br4N)2 to be ScH3Br3N" +mp-28627,K4Br2O,-3.5202787529,-1.7353728730000002,0.0,-0.0053103329,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Br-K-O,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2c2e_a:Br-K-O, expected K8Br2O to be K4Br2O" +mp-1147657,K(AuO2)2,-4.6874024143,-0.7666998726,0.0541900651,0.0541900651,GGA,P4_2/mmc,A2BC4_tP14_131_j_c_n:Au-K-O,14.0,A2BC4_tP14_131_j_c_n:Au-K-O +mp-27418,KAuO2,-4.69141117,-1.1219965776,0.0279253313,-0.2427281892,GGA,Pmmm,ABC2_oP4_47_a_d_k:Au-K-O,4.0,ABC2_oP4_47_a_d_k:Au-K-O +mp-997002,KAuO2,-4.7193365012,-1.1499219089,0.0,-0.2706535204,GGA,Cmcm,ABC2_oC16_63_c_c_f:Au-K-O,8.0,ABC2_oC16_63_c_c_f:Au-K-O +mp-997040,AuBrO2,-3.9522200875,-0.2721481494,0.1428569576,0.1428569576,GGA,C2/c,ABC2_mC16_15_c_e_f:Au-Br-O,8.0,ABC2_mC16_15_a_e_f:Au-Br-O +mp-997033,AuBrO2,-3.914590895,-0.2345189569,0.1804861501,0.1804861501,GGA,C222_1,ABC2_oC16_20_a_b_c:Au-Br-O,8.0,ABC2_oC16_20_a_b_c:Au-Br-O +mp-27428,KBrO4,-4.5979011675,-0.8562041472,0.032442371,0.032442371,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Br-K-O,24.0,ABC4_oP24_62_c_c_2cd:Br-K-O +mp-22958,KBrO3,-4.567074504,-1.0663758218,0.0,-0.0887284182,GGA,R3m,ABC3_hR15_160_a_a_b:Br-K-O,5.0,ABC3_hR15_160_a_a_b:Br-K-O +mp-9200,K3AuO,-3.202910128,-0.8925566176,0.0,-0.0289654295,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Au-K-O,5.0,AB3C_cP5_221_a_c_b:Au-K-O +mp-1184942,KAuO3,-4.400781534,-0.5559121178,0.3640254092,0.3640254092,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Au-K-O,5.0,ABC3_cP5_221_b_a_c:Au-K-O +mp-28166,K3BrO,-3.5600156480000003,-1.5938328716,0.0,-0.004587065,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Br-K-O,5.0,AB3C_cP5_221_a_c_b:Br-K-O +mp-1180831,KAu(Br2O)2,-3.1311330656,-0.5699116044,0.3703580264,0.3703580264,GGA,P2_1/c,AB4CD2_mP16_14_a_2e_d_e:Au-Br-K-O,16.0,AB4CD2_mP16_14_a_2e_b_e:Au-Br-K-O +mp-1181025,KAu(Br2O)2,-3.0816209012,-0.5203994401,0.4198701907,0.4198701907,GGA,P2_1/c,AB4CD2_mP16_14_a_2e_d_e:Au-Br-K-O,16.0,AB4CD2_mP16_14_a_2e_b_e:Au-Br-K-O +mp-1202314,KAu(Br2O)2,-3.1345401941,-0.5733187329,0.3669508979,0.3669508979,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:Au-Br-K-O,32.0,AB4CD2_mP32_14_e_4e_e_2e:Au-Br-K-O +mp-559946,KCoF3,-5.243563268,-2.4529325391,0.159078602,0.159078602,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-F-K,5.0,AB3C_cP5_221_b_c_a:Co-F-K +mp-556447,K2CoF4,-5.0567534771,-2.6317489687,0.0823301171,0.0823301171,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Co-F-K,7.0,AB4C2_tI14_139_a_ce_e:Co-F-K +mp-1111145,K3CoF6,-4.884315758,-2.6934769139,0.0,-0.04199272,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Co-F-K,10.0,AB6C3_cF40_225_a_e_bc:Co-F-K +mp-1111105,K2NaCoF6,-4.954517428,-2.7424659493,0.0,-0.0588391578,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Na +mp-555101,K3Co2F7,-5.25445428,-2.677105513,0.0,-0.033328425,GGA+U,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Co-F-K,12.0,"Invalid WP multiplicities - A2B7C3_tI24_139_e_a2e3g_b2e:Co-F-K, expected K5Co2F17 to be K3Co2F7" +mp-1111017,KNa2CoF6,-4.776343823,-2.5430797096,0.1601165383,0.1601165383,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-K-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-K-Na +mp-1206883,K2CoF6,-4.7872708533,-2.4763831318,0.0,-0.130422318,GGA+U,Fm-3m,AB6C2_cF36_225_a_e_c:Co-F-K,9.0,AB6C2_cF36_225_a_e_c:Co-F-K +mp-1216002,YTh(B2Ru3)2,-8.508699235,-0.4883399278,0.0047045879,0.0047045879,GGA,Pmmm,A4B6CD_oP12_47_ij_ehx_b_c:B-Ru-Th-Y,12.0,"Invalid WP multiplicities - A4B6CD_oP12_47_2ij_ehx_b_c:B-Ru-Th-Y, expected YTh(BRu)6 to be YTh(B2Ru3)2" +mp-3223,ThB2Ru3,-8.6133306,-0.5140223647000001,0.0,-0.0101823171,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Th,6.0,A2B3C_hP6_191_c_g_a:B-Ru-Th +mp-4382,YB2Ru3,-8.4091917033,-0.4677813242,0.0,-0.0197850442,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ru-Y,6.0,A2B3C_hP6_191_c_g_a:B-Ru-Y +mp-1188195,YB2Ru,-7.8731850763,-0.5982707775,0.0,-0.0226726688,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Ru-Y,16.0,A2BC_oP16_62_d_c_c:B-Ru-Y +mp-1196778,Y2B6Ru,-7.5830674361,-0.662656837,0.0,-0.0588400244,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Ru-Y,36.0,A6BC2_oP36_55_6h_g_2g:B-Ru-Y +mp-1190832,YB4Ru,-7.7003170458,-0.6239102564,0.0,-0.0489808419,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ru-Y,24.0,A4BC_oP24_55_4h_g_g:B-Ru-Y +mp-10138,Y(BRu)4,-8.301593105,-0.4925210654,0.0,-0.0596987516,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Y,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Y +mp-865530,YThRu2,-8.523934785,-0.4166511742,0.0129314853,0.0129314853,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ru-Th-Y,4.0,A2BC_cF16_225_c_a_b:Ru-Th-Y +mp-1208918,Y(BRu)2,-7.6019314447,0.0728805023,0.5928576078000001,0.5928576078000001,GGA,P4_2/nnm,A2B2C_tP20_134_m_m_e:B-Ru-Y,40.0,A2B2C_tP20_134_m_m_e:B-Ru-Y +mp-1080672,Th(BRu)2,-8.449249539,-0.5849601647,0.0,-0.0269998823,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ru-Th,10.0,A2B2C_oF40_70_e_f_a:B-Ru-Th +mp-1211309,Th(BRu)2,-7.8631602905,0.0011290838,0.5860892485,0.5590893662,GGA,I4_1/acd,A2B2C_tI80_142_g_g_c:B-Ru-Th,40.0,A2B2C_tI80_142_g_g_c:B-Ru-Th +mp-1203781,Th(BRu)4,-8.4669226567,-0.5525853796,0.0,-0.0929611476,GGA,I4_1/acd,A4B4C_tI72_142_g_g_b:B-Ru-Th,36.0,A4B4C_tI72_142_g_g_b:B-Ru-Th +mp-626843,Ni(HO)2,-5.719528942,-1.2277357035,0.0289852875,0.0289852875,GGA+U,C2,A2BC2_mC10_5_c_a_c:H-Ni-O,5.0,A2BC2_mC10_12_i_a_i:H-Ni-O +mp-625074,Ni(HO)2,-5.729417072,-1.2376238335,0.0190971575,0.0190971575,GGA+U,C2,A2BC2_mC10_5_c_a_c:H-Ni-O,5.0,A2BC2_mC10_5_c_a_c:H-Ni-O +mp-1275121,Ni(HO)2,-5.736287648,-1.2444944095,0.0122265815,0.0122265815,GGA+U,C2,A2BC2_mC10_5_c_a_c:H-Ni-O,5.0,A2BC2_hP5_164_d_a_d:H-Ni-O +mp-1180084,Ni(HO)2,-5.732099612,-1.2403063735,0.0164146175,0.0164146175,GGA+U,C2/m,A2BC2_mC10_12_i_a_i:H-Ni-O,5.0,A2BC2_mC10_12_i_a_i:H-Ni-O +mp-1274857,Ni(HO)2,-5.721120101,-1.2293268625,0.0273941285,0.0273941285,GGA+U,C2/m,A2BC2_mC10_12_i_a_i:H-Ni-O,10.0,A2BC2_mC10_12_i_a_i:H-Ni-O +mp-625072,Ni(HO)2,-5.500693666,-1.0089004275,0.2478205635,0.2478205635,GGA+U,P3m1,A2BC2_hP5_156_ab_c_ab:H-Ni-O,5.0,A2BC2_hP5_156_ab_c_ab:H-Ni-O +mp-27912,Ni(HO)2,-5.737567807,-1.2457745685,0.0109464225,0.0109464225,GGA+U,P-3m1,A2BC2_hP5_164_d_a_d:H-Ni-O,10.0,A2BC2_hP5_164_d_a_d:H-Ni-O +mp-626794,Ni(HO)2,-5.72061393,-1.2288206915,0.0279002995,0.0279002995,GGA+U,R-3m,A2BC2_hR15_166_c_a_c:H-Ni-O,20.0,A2BC2_hR15_166_c_a_c:H-Ni-O +mp-1067482,NiHO2,-5.8285351125,-1.0619750756,0.029823487,0.029823487,GGA+U,Cm,ABC2_mC8_8_a_a_2a:H-Ni-O,4.0,ABC2_mC8_8_a_a_2a:H-Ni-O +mp-999337,NiHO2,-5.7700277375,-1.0034677006,0.088330862,0.088330862,GGA+U,P3m1,ABC2_hP4_156_a_b_ac:H-Ni-O,4.0,ABC2_hP4_156_a_b_ac:H-Ni-O +mp-626799,ReH3O5,-6.9243709539000005,-1.6625766343,0.0,-0.0077221028,GGA,P1,A3B5C_aP18_1_6a_10a_2a:H-O-Re,18.0,A3B5C_aP18_1_6a_10a_2a:H-O-Re +mp-626819,ReH3O5,-6.9075186939,-1.6457243743,0.01685226,0.0091301572,GGA,P1,A3B5C_aP18_1_6a_10a_2a:H-O-Re,18.0,A3B5C_aP18_1_6a_10a_2a:H-O-Re +mp-626800,ReH3O5,-6.8963666422,-1.6345723226,0.0280043117,0.0202822088,GGA,P1,A3B5C_aP18_1_6a_10a_2a:H-O-Re,18.0,A3B5C_aP18_1_6a_10a_2a:H-O-Re +mp-626829,ReH3O5,-6.8596130522,-1.5978187326,0.0647579017,0.0570357988,GGA,P1,A3B5C_aP18_1_6a_10a_2a:H-O-Re,18.0,A3B5C_aP18_1_6a_10a_2a:H-O-Re +mp-625238,Re2H4O9,-7.2414194703,-1.7094090069,0.026183309,0.026183309,GGA,P2_1,A4B9C2_mP30_4_4a_9a_2a:H-O-Re,30.0,"Invalid WP multiplicities - A4B9C2_mP30_4_6a_9a_2a:H-O-Re, expected Re2(H2O3)3 to be Re2H4O9" +mp-625142,Re2H4O9,-7.1569000343,-1.6248895709,0.110702745,0.110702745,GGA,P2_1,A4B9C2_mP30_4_4a_9a_2a:H-O-Re,30.0,A4B9C2_mP30_4_4a_9a_2a:H-O-Re +mp-24635,Re2Ni(H2O3)4,-6.7282982374,-1.6338954572,0.0022588153,0.0022588153,GGA+U,P-1,A8BC12D2_aP23_2_4i_a_6i_i:H-Ni-O-Re,23.0,"Invalid WP multiplicities - A8BC12D2_aP23_2_5i_a_7i_i:H-Ni-O-Re, expected Re2Ni(H5O7)2 to be Re2Ni(H2O3)4" +mp-1210851,Li2IO,-4.0069787744,-1.4475035757,0.2867035906,0.2867035906,GGA,Pnma,AB2C_oP16_62_c_d_c:I-Li-O,16.0,AB2C_oP16_62_c_d_c:I-Li-O +mp-22994,LiIO3,-5.0364681825,-1.3919971124,0.004807386,-0.0887718516,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:I-Li-O,20.0,"Invalid WP multiplicities - ABC3_oP20_33_a_a_8a:I-Li-O, expected LiIO8 to be LiIO3" +mp-1180548,LiIO3,-4.702256962,-1.0577858919,0.3390186065,0.2454393689,GGA,Cmcm,ABC3_oC20_63_c_a_cg:I-Li-O,10.0,"Invalid WP multiplicities - ABC3_oC20_63_c_a_2c2g:I-Li-O, expected LiIO6 to be LiIO3" +mp-23384,LiIO3,-5.0412755685,-1.3968044984,0.0,-0.0935792376,GGA,P4_2/n,ABC3_tP40_86_g_g_3g:I-Li-O,40.0,"Invalid WP multiplicities - ABC3_tP40_86_g_g_6g:I-Li-O, expected LiIO6 to be LiIO3" +mp-555562,LiIO3,-4.8932018193,-1.2487307492,0.1480737492,0.0544945116,GGA,P4_2/n,ABC3_tP40_86_g_abc_3g:I-Li-O,40.0,"Invalid WP multiplicities - ABC3_tP40_86_g_2ab2c_18g:I-Li-O, expected Li7(IO18)4 to be LiIO3" +mp-22955,LiIO3,-5.032257208,-1.3877861379,0.0090183605,-0.0845608771,GGA,P6_3,ABC3_hP10_173_b_a_c:I-Li-O,10.0,ABC3_hP10_173_b_a_c:I-Li-O +mp-545343,LiIO3,-4.790766707,-1.1462956369,0.2505088615,0.1569296239,GGA,P6_322,ABC3_hP10_182_c_b_g:I-Li-O,10.0,ABC3_hP10_182_c_b_g:I-Li-O +mp-1080052,LiIO3,-4.173756575,-0.5292855049,0.8675189935000001,0.7739397559000001,GGA,P6_3/mmc,ABC3_hP10_194_c_a_h:I-Li-O,10.0,ABC3_hP10_194_c_a_h:I-Li-O +mp-973966,LiIn(IO3)4,-5.04434822,-1.1602184127,0.0,-0.0121658851,GGA,P-1,A4BCD12_aP18_2_2i_a_c_6i:I-In-Li-O,18.0,"Invalid WP multiplicities - A4BCD12_aP18_2_3i_a_c_11i:I-In-Li-O, expected LiIn(I3O11)2 to be LiIn(IO3)4" +mp-1196400,InIO5,-4.7776697246,-0.6407420623,0.486403502,0.486403502,GGA,Pnma,ABC5_oP56_62_2c_ab_4c3d:I-In-O,56.0,ABC5_oP56_62_2c_ab_4c3d:I-In-O +mp-23559,In(IO3)3,-5.0236377712,-1.0473315264,0.0050471662,-0.0397238643,GGA,R-3,A3BC9_hR78_148_f_c_3f:I-In-O,26.0,"Invalid WP multiplicities - A3BC9_hR78_148_f_c_4f:I-In-O, expected In(IO4)3 to be In(IO3)3" +mp-23400,In(IO3)3,-5.0286849373,-1.0523786926,0.0,-0.0447710305,GGA,P6_3,A3BC9_hP26_173_c_b_3c:I-In-O,26.0,"Invalid WP multiplicities - A3BC9_hP26_173_c_b_4c:I-In-O, expected In(IO4)3 to be In(IO3)3" +mp-1193215,LiIO5,-4.7442094864,-0.7276762332000001,0.2700412657,0.2700412657,GGA,P2_1/c,ABC5_mP28_14_e_e_5e:I-Li-O,28.0,ABC5_mP28_14_e_e_5e:I-Li-O +mp-757089,LiIO4,-4.96750155,-1.1059942064,0.0580095423,0.0580095423,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:I-Li-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:I-Li-O, expected LiIO13 to be LiIO4" +mp-29473,LiIO4,-4.9885803688,-1.1270730251,0.0369307235,0.0369307235,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:I-Li-O,24.0,ABC4_mP24_14_e_e_4e:I-Li-O +mp-1222278,LiIO,-3.1922573267,-0.4159313507,1.01466461,1.01466461,GGA,P4/mmm,ABC_tP3_123_c_a_b:I-Li-O,3.0,ABC_tP3_123_c_a_b:I-Li-O +mp-1189189,Li4IO3,-4.4724246356,-1.4787841418,0.3987028594,0.3987028594,GGA,Pmmn,AB4C3_oP16_59_a_g_be:I-Li-O,16.0,AB4C3_oP16_59_a_g_be:I-Li-O +mp-1211077,Li2IO6,-4.8334252528,-0.9477203249,0.2691546689,0.2691546689,GGA,P6_1,AB2C6_hP54_169_a_2a_6a:I-Li-O,54.0,AB2C6_hP54_169_a_2a_6a:I-Li-O +mp-541001,LiInI4,-2.7939794746,-1.0349674751,0.0,-0.0051713292,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:I-In-Li,24.0,A4BC_mP24_14_4e_e_e:I-In-Li +mp-1211142,Li5IO6,-5.2961287708,-1.9046193583,0.0,-0.2568431865,GGA,P3_112,AB5C6_hP36_151_a_2a3b_3c:I-Li-O,36.0,AB5C6_hP36_151_a_2a3b_3c:I-Li-O +mp-1203701,In(IO4)3,-4.6310460356,-0.4727930784,0.3822646093,0.3822646093,GGA,P-1,A3BC12_aP32_2_3i_ab_12i:I-In-O,32.0,A3BC12_aP32_2_3i_ab_12i:I-In-O +mp-1216311,YThFe14B,-8.2912187857,-0.1065118402,0.0,-0.0016950568,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_f_g:B-Fe-Th-Y,68.0,AB14CD_tP68_136_f_ce2j2k_f_g:B-Fe-Th-Y +mp-1207634,YFeB4,-7.5460849437,-0.6037417093,0.0,-0.0732896082,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Y,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Y +mp-28618,Y3(Fe31B7)2,-7.994425058,0.0821852351,0.2631824819,0.2631824819,GGA,Im-3m,A14B62C3_cI158_229_ef_dfjk_b:B-Fe-Y,79.0,A14B62C3_cI158_229_ef_dfjk_b:B-Fe-Y +mp-631661,Y2FeB,-6.362832485,0.6577563169,0.9309233025,0.9309233025,GGA,F-43m,ABC2_cF16_216_a_c_bd:B-Fe-Y,4.0,ABC2_cF16_216_a_c_bd:B-Fe-Y +mp-1104580,Y4(FeB2)3,-7.41274893,-0.3856490294,0.073912488,0.073912488,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Fe-Y,13.0,A6B3C4_hR39_166_f_bc_2c:B-Fe-Y +mp-1216190,YThFe6,-8.1541709992,-0.0666139213,0.0,-0.0030256629,GGA,R3m,A6BC_hR72_160_6a4b_3a_3a:Fe-Th-Y,,"Invalid WP multiplicities - A6BC_hR72_160_6a12b_3a_3a:Fe-Th-Y, expected YThFe14 to be YThFe6" +mp-5434,Y2Fe14B,-8.2375186169,-0.1085403265,0.0,-0.021738546,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Y,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Y +mp-12077,Y(FeB)2,-7.790126592,-0.437067177,0.0,-0.0452608613,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Fe-Y,5.0,A2B2C_tI10_139_e_d_a:B-Fe-Y +mp-14542,Y3FeB7,-7.3736760623,-0.5895690672,0.0,-0.0293816951,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Fe-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c4f_c_cf:B-Fe-Y, expected Y3FeB9 to be Y3FeB7" +mp-1100937,Y10Ta4O25,-9.8177696327,-3.7725634933,0.0481113283,0.0481113283,GGA,Pm,A25B4C10_mP78_6_22a28b_a7b_13a7b:O-Ta-Y,78.0,A25B4C10_mP78_6_22a28b_a7b_13a7b:O-Ta-Y +mp-1100882,Y7Ta3O18,-9.8466131148,-3.7795049903,0.0337982664,0.0337982664,GGA,P-1,A18B3C7_aP56_2_18i_bc2i_dh6i:O-Ta-Y,56.0,"Invalid WP multiplicities - A18B3C7_aP56_2_34i_bc4i_dh12i:O-Ta-Y, expected Y13Ta5O34 to be Y7Ta3O18" +mp-774100,Dy29Y3O48,-8.8870813486,-4.0066152256,0.0001955452,0.0001955452,GGA,P1,A29B48C3_aP80_1_29a_48a_3a:Dy-O-Y,80.0,A29B48C3_aP80_1_29a_48a_3a:Dy-O-Y +mp-772036,YTa7O19,-10.2121982746,-3.4174575325,0.004281455,0.004281455,GGA,P-6c2,A19B7C_hP54_188_ghk2l_al_c:O-Ta-Y,54.0,"Invalid WP multiplicities - A19B7C_hP54_188_gh6k10l_a2l_c:O-Ta-Y, expected YTa13O82 to be YTa7O19" +mp-768333,DyYO3,-9.0771244253,-3.8944596079,0.0966044345,0.0966044345,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Dy-O-Y,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b11c_a2b:Dy-O-Y, expected Dy3Y5O40 to be DyYO3" +mp-1225383,Dy2YTaO7,-9.5056038777,-3.8542726594,0.00260042,0.00260042,GGA,Cmcm,A2B7CD_oC44_63_g_3ch_a_b:Dy-O-Ta-Y,22.0,"Invalid WP multiplicities - A2B7CD_oC44_63_g_3c2h_a_b:Dy-O-Ta-Y, expected Dy2YTaO11 to be Dy2YTaO7" +mp-766292,DyY7O12,-9.4375417978,-3.9759243393,0.0006042615,0.0006042615,GGA,I2_12_12_1,AB12C7_oI80_24_a_6d_a2b2cd:Dy-O-Y,40.0,"Invalid WP multiplicities - AB12C7_oI80_24_a_17d_2a2b4c2d:Dy-O-Y, expected DyY12O34 to be DyY7O12" +mp-1184129,Dy2Y2O5,-8.4619927522,-3.2531083675,0.4459102994,0.4459102994,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Dy-O-Y,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Dy-O-Y, expected Dy2Y2O9 to be Dy2Y2O5" +mp-675821,Y3TaO7,-9.7092068364,-3.7197512047,0.1196876005,0.113271954,GGA,P1,A7BC3_aP22_1_14a_2a_6a:O-Ta-Y,22.0,A7BC3_aP22_1_14a_2a_6a:O-Ta-Y +mp-11321,Y3TaO7,-9.8288944368,-3.8394388051,0.0,-0.0064156465,GGA,C222_1,A7BC3_oC44_20_3b2c_a_ac:O-Ta-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_20_3b3c_a_ac:O-Ta-Y, expected Y3TaO9 to be Y3TaO7" +mp-1190968,Y3TaO7,-9.8232203377,-3.833764706,0.0056740991,-0.0007415474,GGA,Cmcm,A7BC3_oC44_63_3ch_a_bg:O-Ta-Y,22.0,A7BC3_oC44_63_3ch_a_bg:O-Ta-Y +mp-1101635,Y3TaO7,-9.5679264868,-3.5784708551,0.26096795,0.2545523035,GGA,Cmme,A7BC3_oC44_67_gmo_a_em:O-Ta-Y,22.0,"Invalid WP multiplicities - A7BC3_oC44_67_2g3m4o_a_2e3m:O-Ta-Y, expected Y8TaO24 to be Y3TaO7" +mp-758317,YTa3O9,-10.1224237604,-3.463962037,0.0495935219,0.0483612458,GGA,P1,A9B3C_aP26_1_18a_6a_2a:O-Ta-Y,26.0,"Invalid WP multiplicities - A9B3C_mC52_5_ab14c_6c_c:O-Ta-Y, expected YTa6O15 to be YTa3O9" +mp-752515,YTa3O9,-10.1720172823,-3.5135555589000003,0.0,-0.0012322762,GGA,P2_1/m,A9B3C_mP26_11_3e3f_af_e:O-Ta-Y,26.0,"Invalid WP multiplicities - A9B3C_mP26_11_5e6f_af_e:O-Ta-Y, expected YTa3O17 to be YTa3O9" +mp-1100881,YTa3O9,-10.1213302931,-3.4628685696,0.0506869892,0.0494547131,GGA,C2/m,A9B3C_mC52_12_ad2i3j_3i_i:O-Ta-Y,26.0,"Invalid WP multiplicities - A9B3C_mC52_12_ac4i9j_6i_i:O-Ta-Y, expected YTa6O23 to be YTa3O9" +mp-850669,YTa3O9,-10.1482701067,-3.4898083833,0.0237471756,0.0225148994,GGA,Pnma,A9B3C_oP52_62_3c3d_ad_c:O-Ta-Y,52.0,"Invalid WP multiplicities - A9B3C_oP52_62_12c9d_2a2d_c:O-Ta-Y, expected YTa6O30 to be YTa3O9" +mp-757197,DyY3O6,-9.3496589692,-3.9810257245,0.0003480236,0.0003480236,GGA,C2,AB6C3_mC80_5_2ac_12c_2b5c:Dy-O-Y,40.0,"Invalid WP multiplicities - AB6C3_mC80_5_2ac_23c_2b9c:Dy-O-Y, expected Dy2Y10O23 to be DyY3O6" +mp-784958,Dy11Y5O24,-5.4717235385,-0.4285350416,3.5697967217,3.5697967217,GGA,P1,A11B24C5_aP40_1_11a_24a_5a:Dy-O-Y,40.0,A11B24C5_aP40_1_11a_24a_5a:Dy-O-Y +mp-766279,Dy11Y5O24,-9.0411034175,-3.9979149206,0.0004168427,0.0004168427,GGA,P1,A11B24C5_aP40_1_11a_24a_5a:Dy-O-Y,40.0,A11B24C5_aP40_1_11a_24a_5a:Dy-O-Y +mp-5377,YTaO4,-10.0693068442,-3.7174729128,0.0,-0.0545541994,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-Ta-Y,12.0,A4BC_mP12_13_2g_e_f:O-Ta-Y +mp-559289,YTaO4,-10.0639367933,-3.7121028619,0.0053700508,-0.0491841485,GGA,C2/c,A4BC_mC24_15_2f_e_e:O-Ta-Y,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_e:O-Ta-Y, expected YTaO14 to be YTaO4" +mp-752458,Dy3Y5O12,-9.2618223415,-3.9861733104,4.55848e-05,4.55848e-05,GGA,P1,A3B12C5_aP40_1_6a_24a_10a:Dy-O-Y,40.0,A3B12C5_aP40_1_6a_24a_10a:Dy-O-Y +mp-757588,Y11Ta5O28,-9.8601710677,-3.7481857425,0.0330646759,0.0330646759,GGA,P-1,A28B5C11_aP44_2_14i_a2i_bcg4i:O-Ta-Y,44.0,"Invalid WP multiplicities - A28B5C11_aP44_2_28i_d4i_b2c7i:O-Ta-Y, expected Y17Ta9O56 to be Y11Ta5O28" +mp-879362,Y11Ta5O28,-5.3854215905,0.7265637348,4.5078141532,4.5078141532,GGA,P-1,A28B5C11_aP44_2_14i_a2i_bcg4i:O-Ta-Y,44.0,"Invalid WP multiplicities - A28B5C11_aP44_2_28i_a4i_bcg7i:O-Ta-Y, expected Y17Ta9O56 to be Y11Ta5O28" +mp-1333484,Y11Ta5O28,-8.4282082166,-2.3162228913,1.4650275270000002,1.4650275270000002,GGA,P-1,A28B5C11_aP44_2_14i_a2i_bcg4i:O-Ta-Y,44.0,"Invalid WP multiplicities - A28B5C11_aP44_2_28i_a4i_bcg7i:O-Ta-Y, expected Y17Ta9O56 to be Y11Ta5O28" +mp-758379,Y11Ta5O28,-9.8593324402,-3.747347115,0.0339033034,0.0339033034,GGA,Pm,A28B5C11_mP44_6_6a6b8c_a2c_3a4b2c:O-Ta-Y,44.0,A28B5C11_mP44_6_6a6b8c_a2c_3a4b2c:O-Ta-Y +mp-1101181,Y11Ta5O28,-9.859720658,-3.7477353327,0.0335150857,0.0335150857,GGA,C2/m,A28B5C11_mC88_12_6i4j_aj_beh3i:O-Ta-Y,44.0,"Invalid WP multiplicities - A28B5C11_mC88_12_12i12j_aj_b2fh6i:O-Ta-Y, expected Y19Ta5O72 to be Y11Ta5O28" +mp-4812,Zn4B6O13,-7.2697973987,-2.5123070373000003,0.0,-0.0189194785,GGA,I-43m,A6B13C4_cI46_217_d_ag_c:B-O-Zn,23.0,A6B13C4_cI46_217_d_ag_c:B-O-Zn +mp-1207482,Zn2BO4,-6.1025238557,-1.961719022,0.0965577877,0.0965577877,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:B-O-Zn,28.0,AB4C2_oP28_62_c_4c_2c:B-O-Zn +mp-1207490,Zn3BO5,-5.8280035561,-1.9177739831,0.0812269266,0.0812269266,GGA,Pbam,AB5C3_oP36_55_g_3g2h_adgh:B-O-Zn,36.0,AB5C3_oP36_55_g_3g2h_adgh:B-O-Zn +mp-12233,ZnB4O7,-7.9052806436,-2.688269671,0.0,-0.0267372957,GGA,Pbca,A4B7C_oP96_61_4c_7c_c:B-O-Zn,96.0,A4B7C_oP96_61_4c_7c_c:B-O-Zn +mp-558690,ZnB4O7,-7.8468485608,-2.6298375882,0.0584320828,0.0316947872,GGA,Cmcm,A4B7C_oC48_63_eg_cgh_c:B-O-Zn,24.0,"Invalid WP multiplicities - A4B7C_oC48_63_2e2g_2c4g6h_c:B-O-Zn, expected Zn(B4O17)2 to be ZnB4O7" +mp-686042,Zn4B2O7,-6.2063630205,-2.1275492543,0.0890565408,0.0890565408,GGA,C2,A2B7C4_mC78_5_ab2c_a10c_6c:B-O-Zn,39.0,"Invalid WP multiplicities - A2B7C4_mC78_5_ab4c_a16c_12c:B-O-Zn, expected Zn24B10O33 to be Zn4B2O7" +mp-557683,Zn3(BO3)2,-6.53698404,-2.2807888910000003,0.0131024561,0.0131024561,GGA,P-1,A2B6C3_aP44_2_4i_12i_6i:B-O-Zn,44.0,"Invalid WP multiplicities - A2B6C3_aP44_2_6i_24i_12i:B-O-Zn, expected Zn2BO4 to be Zn3(BO3)2" +mp-559949,Zn3(BO3)2,-6.531051763,-2.2748566139,0.0190347331,0.0190347331,GGA,Cc,A2B6C3_mC88_9_4a_12a_6a:B-O-Zn,44.0,"Invalid WP multiplicities - A2B6C3_mC88_15_5f_21f_9f:B-O-Zn, expected Zn9B5O21 to be Zn3(BO3)2" +mp-542833,Zn3(BO3)2,-6.5310879434,-2.2748927944,0.0189985527,0.0189985527,GGA,C2/c,A2B6C3_mC88_15_2f_6f_3f:B-O-Zn,44.0,A2B6C3_mC88_15_2f_6f_3f:B-O-Zn +mp-971704,ZnBO3,-5.595359676,-1.0395193731,1.1254540568,1.1254540568,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Zn,5.0,AB3C_cP5_221_b_c_a:B-O-Zn +mp-659217,Zn3B7BrO13,-6.4319544761,-1.5821646927000002,0.9702241672,0.9702241672,GGA,Pca2_1,A7BC13D3_oP96_29_7a_a_13a_3a:B-Br-O-Zn,96.0,"Invalid WP multiplicities - A7BC13D3_oP96_29_27a_a_50a_6a:B-Br-O-Zn, expected Zn6B27BrO50 to be Zn3B7BrO13" +mp-1179542,Zn3B7BrO13,-7.3962708407,-2.5464810573000003,0.0059078026,0.0059078026,GGA,Pca2_1,A7BC13D3_oP96_29_7a_a_13a_3a:B-Br-O-Zn,96.0,A7BC13D3_oP96_29_7a_a_13a_3a:B-Br-O-Zn +mp-1178675,Zn(BO3)3,-6.5057994013,-1.4428672995,0.4905056095,0.4905056095,GGA,Pnma,A3B9C_oP52_62_cd_3c3d_c:B-O-Zn,52.0,A3B9C_oP52_62_cd_3c3d_c:B-O-Zn +mp-1196680,Zn(BO3)3,-6.1095844892,-1.0466523874,0.8867205216,0.8867205216,GGA,Pnma,A3B9C_oP52_62_cd_3c3d_c:B-O-Zn,52.0,A3B9C_oP52_62_cd_3c3d_c:B-O-Zn +mp-560569,KPrPdO3,-6.58474903,-2.2662069224,0.0067871421,0.0067871421,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:K-O-Pd-Pr,12.0,"Invalid WP multiplicities - AB3CD_mC24_12_i_6i_i_i:K-O-Pd-Pr, expected KPrPdO6 to be KPrPdO3" +mp-4519,KPrO2,-6.8694311,-2.9232605689,0.0,-0.1202420577,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Pr,4.0,AB2C_hR12_166_a_c_b:K-O-Pr +mp-1214015,CeTl(PO3)4,-7.743493314,-2.7818707105,0.0,-0.0064549786,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Ce-O-P-Tl,72.0,AB12C4D_mP72_14_e_12e_4e_e:Ce-O-P-Tl +mp-504897,CeP5O14,-7.9257478442,-2.813085662,0.0,-0.0244502019,GGA,P1,AB14C5_aP40_1_2a_28a_10a:Ce-O-P,40.0,AB14C5_aP40_1_2a_28a_10a:Ce-O-P +mp-1201068,CeP5O14,-7.9208281441,-2.8081659618,0.0049197001,-0.0195305018,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:Ce-O-P,80.0,AB14C5_mP80_14_e_14e_5e:Ce-O-P +mp-647391,CeP5O14,-7.9165636616,-2.8039014793,0.0091841826,-0.0152660193,GGA,Pmna,AB14C5_oP80_53_h_2h6i_efhi:Ce-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_53_h_7h40i_4e4f3h7i:Ce-O-P, expected CeP25O87 to be CeP5O14" +mp-1213909,CeTl2(PO3)5,-7.5299581409,-2.6636442865000003,0.0049267217,0.0049267217,GGA,Cc,AB15C5D2_mC92_9_a_15a_5a_2a:Ce-O-P-Tl,46.0,"Invalid WP multiplicities - AB15C5D2_mC92_9_a_28a_9a_4a:Ce-O-P-Tl, expected CeTl4P9O28 to be CeTl2(PO3)5" +mp-5843,Ce(PO3)3,-8.1034109873,-2.9731652122,0.0,-0.0232531334,GGA,C222_1,AB9C3_oC52_20_a_b4c_ac:Ce-O-P,26.0,AB9C3_oC52_20_a_b4c_ac:Ce-O-P +mp-1019593,Ce(PO3)4,-7.9934070877,-2.8789033397,0.0,-0.044381656,GGA,C2/c,AB12C4_mC272_15_2ef_2e23f_8f:Ce-O-P,136.0,AB12C4_mC272_15_2ef_2e23f_8f:Ce-O-P +mp-1203734,CeP3O14,-6.9522318937000005,-1.8729741919,0.3506325951,0.3506325951,GGA,P2_12_12,AB14C3_oP72_18_c_14c_3c:Ce-O-P,72.0,AB14C3_oP72_18_c_14c_3c:Ce-O-P +mp-1182741,CeP3O14,-6.2628775606,-1.1836198587,1.0399869283,1.0399869283,GGA,P2_12_12_1,AB14C3_oP72_19_a_14a_3a:Ce-O-P,72.0,AB14C3_oP72_19_a_14a_3a:Ce-O-P +mp-4136,CePO4,-8.5931867762,-3.4043290251,0.0016711099,-0.1490432907,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-P,24.0,AB4C_mP24_14_e_4e_e:Ce-O-P +mp-22098,CePO4,-8.5716119717,-3.3827542206,0.0232459144,-0.1274684861,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ce-O-P,24.0,AB4C_mP24_14_e_4e_e:Ce-O-P +mp-1019599,CePO4,-8.5639799617,-3.3751222106,0.0308779244,-0.1198364761,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Ce-O-P,12.0,AB4C_tI24_141_a_h_b:Ce-O-P +mp-8382,CePO4,-8.5948578861,-3.406000135,0.0,-0.1507144005,GGA,P6_222,AB4C_hP18_180_c_k_d:Ce-O-P,18.0,AB4C_hP18_180_c_k_d:Ce-O-P +mp-557624,CePO4,-8.5948228722,-3.4059651211,3.50139e-05,-0.1506793866,GGA,P6_422,AB4C_hP18_181_c_k_d:Ce-O-P,18.0,AB4C_hP18_181_c_k_d:Ce-O-P +mp-1106335,Ce(PO4)3,-7.2055656719,-2.1097368462,0.3918207891,0.3918207891,GGA,P-6,AB12C3_hP16_174_a_jkl_k:Ce-O-P,16.0,AB12C3_hP16_174_a_jkl_k:Ce-O-P +mp-22524,CeP2O7,-8.2495002705,-3.1108487558,0.0,-0.0743842224,GGA,Pa-3,AB7C2_cP40_205_a_bd_c:Ce-O-P,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_3b4d_c:Ce-O-P, expected CeP2O27 to be CeP2O7" +mp-1192590,KBaAsO4,-6.3985808232,-2.4735455179,0.0,-0.0320503625,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:As-Ba-K-O,28.0,ABCD4_oP28_62_c_c_c_2cd:As-Ba-K-O +mp-27674,K5As3O10,-5.8527300919,-2.0196058107,0.0,-0.0364052337,GGA,P2_12_12_1,A3B5C10_oP72_19_3a_5a_10a:As-K-O,72.0,"Invalid WP multiplicities - A3B5C10_oP72_19_3a_5a_13a:As-K-O, expected K5As3O13 to be K5As3O10" +mp-1095551,K8AsO3,-3.2540957533,-0.8888977438000001,0.1545704049,0.1545704049,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:As-K-O,12.0,AB8C3_cP12_221_a_g_c:As-K-O +mp-1200450,K3As2O11,-5.1057430486,-0.9143049564,0.5253497832,0.5253497832,GGA,Pca2_1,A2B3C11_oP64_29_2a_3a_11a:As-K-O,64.0,A2B3C11_oP64_29_2a_3a_11a:As-K-O +mp-680301,K3AsO4,-5.5053232906,-2.0331895292,0.0,-0.2064145083,GGA,Cccm,AB3C4_oC128_66_gl_hij2kl_2l3m:As-K-O,64.0,"Invalid WP multiplicities - AB3C4_oC128_66_g2l_3h4i4j8k4l_8l21m:As-K-O, expected K23As3O50 to be K3AsO4" +mp-1095533,KAsO4,-5.6038675133,-1.3444888138,0.2748523654,0.2748523654,GGA,I-42d,ABC4_tI24_122_a_b_e:As-K-O,12.0,ABC4_tI24_122_a_b_e:As-K-O +mp-1192552,KAsO3,-6.061369838,-1.9394531409,0.0037562742,-0.0481263241,GGA,P-1,ABC3_aP30_2_3i_3i_9i:As-K-O,30.0,ABC3_aP30_2_3i_3i_9i:As-K-O +mp-1195114,KAsO3,-6.0651261123,-1.9432094151,0.0,-0.0518825983,GGA,P2_1/c,ABC3_mP120_14_6e_6e_18e:As-K-O,120.0,ABC3_mP120_14_6e_6e_18e:As-K-O +mp-1105278,KAsO3,-6.0462133085,-1.9242966113,0.0189128038,-0.0329697946,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:As-K-O,20.0,ABC3_oP20_19_a_a_3a:As-K-O +mp-1194970,KAsO3,-6.0542853325,-1.9323686354,0.0108407798,-0.0410418186,GGA,Pbcn,ABC3_oP40_60_d_2c_3d:As-K-O,40.0,ABC3_oP40_60_d_2c_3d:As-K-O +mp-1184937,KAsO3,-5.638646618,-1.5167299208,0.4264794943,0.3745968959,GGA,Pm-3m,ABC3_cP5_221_b_a_c:As-K-O,5.0,ABC3_cP5_221_b_a_c:As-K-O +mp-30298,KAsO2,-5.80965395,-1.8939302564,0.0,-0.0762850267,GGA,Pbcm,ABC2_oP16_57_d_d_cd:As-K-O,16.0,ABC2_oP16_57_d_d_cd:As-K-O +mp-1224773,K6As8O19,-5.5128238148,-1.3333563471,0.5565658025,0.5565658025,GGA,P1,A8B6C19_aP33_1_8a_6a_19a:As-K-O,33.0,A8B6C19_aP33_1_8a_6a_19a:As-K-O +mp-973447,KBaO3,-4.821337168,-1.2474491639,0.5736075070000001,0.5736075070000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ba-K-O,5.0,ABC3_cP5_221_b_a_c:Ba-K-O +mp-1188319,Co5B2P,-7.1439617606,-0.3547523827,0.0425368859,0.0425368859,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Co-P,16.0,A2B5C_tI32_140_h_cl_a:B-Co-P +mp-1228676,B8P,-6.6138423393,-0.0751271533,0.1506276454,0.1506276454,GGA,Cm,A8B_mC54_8_8a8b_3a:B-P,27.0,"Invalid WP multiplicities - A8B_mC54_8_8a16b_3a:B-P, expected B40P3 to be B8P" +mp-1228630,B13P,-6.6152366936,-0.0262798702,0.1188482147,0.1188482147,GGA,R3m,A13B_hR42_160_a4b_a:B-P,14.0,A13B_hR42_160_a4b_a:B-P +mp-1105426,Fe4CoB2P,-7.8511138975,-0.3810528121,0.0355783784,0.0355783784,GGA,I4/mcm,A2BC4D_tI32_140_h_c_l_a:B-Co-Fe-P,16.0,A2BC4D_tI32_140_h_c_l_a:B-Co-Fe-P +mp-1225034,Fe6BP,-8.1296614537,-0.2655587616,0.0271005541,0.0271005541,GGA,C2,AB6C_mC32_5_c_6c_c:B-Fe-P,16.0,AB6C_mC32_5_c_6c_c:B-Fe-P +mp-1226141,Co6BP,-7.0891297387,-0.2463046078,0.0504652472,0.0504652472,GGA,C2,AB6C_mC32_5_c_6c_c:B-Co-P,16.0,AB6C_mC32_5_c_6c_c:B-Co-P +mp-13862,B13P2,-5.8234379907000005,0.6871418783000001,0.9580476367,0.9580476367,GGA,R-3m,A13B2_hR45_166_a2h_c:B-P,15.0,A13B2_hR45_166_a2h_c:B-P +mp-1008559,BP,-6.4425339225,-0.3961867837,0.0113008775,-0.2268706847,GGA,P6_3mc,AB_hP4_186_b_b:B-P,4.0,AB_hP4_186_b_b:B-P +mp-1479,BP,-6.4538348,-0.4074876612,0.0,-0.2381715622,GGA,F-43m,AB_cF8_216_a_c:B-P,2.0,AB_cF8_216_a_c:B-P +mp-1225248,Fe9BP2,-8.1075350427,-0.2961860699,0.0171529898,0.0171529898,GGA,P1,AB9C2_aP48_1_4a_36a_8a:B-Fe-P,48.0,AB9C2_aP48_1_4a_36a_8a:B-Fe-P +mp-9913,Fe5B2P,-8.0278121575,-0.3875381452,0.0,-0.0054727202,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Fe-P,16.0,"Invalid WP multiplicities - A2B5C_tI32_140_h_2c2l_a:B-Fe-P, expected Fe10B2P to be Fe5B2P" +mp-28395,B6P,-6.7887780457,-0.2902561698,0.0,-0.1738311237,GGA,R-3m,A6B_hR42_166_2h_c:B-P,14.0,A6B_hR42_166_2h_c:B-P +mp-1201301,K2Hf2O5,-8.4992255081,-3.291601118,0.0,-0.0022051413,GGA,Pnna,A2B2C5_oP36_52_e_e_2cde:Hf-K-O,36.0,A2B2C5_oP36_52_e_e_2cde:Hf-K-O +mp-1021313,KHfMg6,-2.34171019,0.2419483446,0.2566521946,0.2566521946,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Hf-K-Mg,8.0,ABC6_oC16_38_a_a_2bde:Hf-K-Mg +mp-1021471,KHfMg6,-2.3470813544,0.2365771802,0.2512810303,0.2512810303,GGA,Amm2,ABC6_oC16_38_a_b_abde:Hf-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Hf-K-Mg, expected KHfMg12 to be KHfMg6" +mp-1035523,KHfMg14O15,-6.2030320194,-2.7297468792,0.2232891608,0.2232891608,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-K-Mg-O +mp-1035724,KHfMg14O15,-6.1983118842,-2.725026744,0.2280092959,0.2280092959,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-K-Mg-O +mp-1035752,KHfMg14O15,-6.2041173723,-2.7308322321,0.2222038078,0.2222038078,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:Hf-K-Mg-O +mp-1035753,KHfMg14O15,-6.2092081416,-2.7359230014,0.2171130385,0.2171130385,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Hf-K-Mg-O +mp-974482,K4Hf5O12,-8.8224016938,-3.413458576,0.0,-0.0177062982,GGA,P-3m1,A5B4C12_hP21_164_a2d_cd_2i:Hf-K-O,21.0,A5B4C12_hP21_164_a2d_cd_2i:Hf-K-O +mp-1211649,K4HfO4,-6.2193510772,-2.4209577813,0.0,-0.10416143,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Hf-K-O,18.0,AB4C4_aP18_2_i_4i_4i:Hf-K-O +mp-1211999,K2HfO3,-7.3540620442,-2.8510532012,0.0052262485,0.0052262485,GGA,P6_3/mcm,AB2C3_hP24_193_d_bg_k:Hf-K-O,24.0,AB2C3_hP24_193_d_bg_k:Hf-K-O +mp-1026847,KHfMg14,-1.9220087125,0.1699605798,0.1871150715,0.1871150715,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Hf-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Hf-K-Mg, expected KHfMg18 to be KHfMg14" +mp-1026836,KHfMg14,-1.9493293119,0.1426399804,0.1597944721,0.1597944721,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Hf-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Hf-K-Mg, expected KHfMg26 to be KHfMg14" +mp-1040210,KHfMg30O31,-6.2644904895,-2.8926914494,0.1116483413,0.1116483413,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:Hf-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:Hf-K-Mg-O, expected KHfMg38O39 to be KHfMg30O31" +mp-1040164,KHfMg30O31,-6.2776016835,-2.9058026434,0.0985371474,0.0985371474,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:Hf-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:Hf-K-Mg-O, expected KHfMg38O39 to be KHfMg30O31" +mp-1040175,KHfMg30O31,-6.2715932454,-2.8997942053,0.1045455854,0.1045455854,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:Hf-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:Hf-K-Mg-O, expected KHfMg38O39 to be KHfMg30O31" +mp-1040168,KHfMg30O31,-6.2689885862,-2.8971895461,0.1071502447,0.1071502447,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_2ab2c2d2e2f:Hf-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_2ab2c2d6e6f:Hf-K-Mg-O, expected KHfMg62O63 to be KHfMg30O31" +mp-998227,KHfO3,-8.12971787,-2.9481870478000003,0.0409062717,0.0409062717,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Hf-K-O,5.0,ABC3_cP5_221_b_a_c:Hf-K-O +mp-1201456,K2HfO6,-6.0562284319,-1.4053262996,0.5935814217000001,0.5935814217000001,GGA,Cmme,AB2C6_oC72_67_ag_in_h2mno:Hf-K-O,36.0,AB2C6_oC72_67_ag_in_h2mno:Hf-K-O +mp-1212402,K2HfO6,-6.2097871469,-1.5588850146,0.4400227067,0.4400227067,GGA,Cmme,AB2C6_oC72_67_cg_in_h2mno:Hf-K-O,36.0,AB2C6_oC72_67_cg_in_h2mno:Hf-K-O +mp-1030967,KHfMg6O7,-6.0709436733,-2.3845377229,0.4607604402,0.4607604402,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:Hf-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:Hf-K-Mg-O, expected KHfMg10O11 to be KHfMg6O7" +mp-1030968,KHfMg6O7,-6.0745165487,-2.3881105983,0.4571875649,0.4571875649,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:Hf-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:Hf-K-Mg-O, expected KHfMg10O11 to be KHfMg6O7" +mp-1031039,KHfMg6O7,-6.271498804,-2.5850928536,0.2602053095,0.2602053095,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:Hf-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:Hf-K-Mg-O, expected KHfMg10O11 to be KHfMg6O7" +mp-1031065,KHfMg6O7,-6.2950558333,-2.6086498829,0.2366482802,0.2366482802,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:Hf-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:Hf-K-Mg-O, expected KHfMg10O11 to be KHfMg6O7" +mp-3217,USeO,-9.2435940867,-2.665590687,0.0,-0.0640911195,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-Se-U,6.0,ABC_tP6_129_a_c_c:O-Se-U +mp-28299,USe2O7,-7.4573191862,-2.1663137918,0.0,-0.0237581843,GGA,P-1,A7B2C_aP40_2_14i_4i_2i:O-Se-U,40.0,A7B2C_aP40_2_14i_4i_2i:O-Se-U +mp-1194009,MgU8Se17,-7.2837508931,-1.4621333835,0.0,-0.0075278383,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Mg-Se-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Mg-Se-U +mp-562338,USeO6,-7.8883276728,-2.3298959534,0.0,-0.07266645,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-Se-U,32.0,"Invalid WP multiplicities - A6BC_mP32_14_22e_e_e:O-Se-U, expected USeO22 to be USeO6" +mp-1206502,U2Se2O,-7.588760058,-0.6844937207,1.4178133798,1.4178133798,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:O-Se-U,5.0,AB2C2_tP5_123_a_g_g:O-Se-U +mp-1178872,USe2O9,-6.8187886237,-1.5851693432,0.2664612932,0.2664612932,GGA,C2/c,A9B2C_mC48_15_e4f_f_e:O-Se-U,24.0,A9B2C_mC48_15_e4f_f_e:O-Se-U +mp-1203985,MgUSe2O15,-5.8926049092,-0.9408236627,0.6322242382000001,0.6322242382000001,GGA,P2_1/c,AB15C2D_mP76_14_e_15e_2e_e:Mg-O-Se-U,76.0,AB15C2D_mP76_14_e_15e_2e_e:Mg-O-Se-U +mp-1190315,U7(Se6O)2,-7.9870609624,-1.7544807136,0.0440499821,0.0440499821,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:O-Se-U,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:O-Se-U +mp-1179177,USeO10,-6.4538233265,-1.0993059431,0.4539580258,0.4539580258,GGA,C2/c,A10BC_mC96_15_10f_f_f:O-Se-U,48.0,A10BC_mC96_15_10f_f_f:O-Se-U +mp-27723,USeO5,-8.21162083,-2.5657972523,0.0138936088,0.0138936088,GGA,P2_1/m,A5BC_mP14_11_e2f_e_a:O-Se-U,14.0,A5BC_mP14_11_e2f_e_a:O-Se-U +mp-1201100,CeAgS2O9,-6.737352309,-2.0020643633,0.1228749354,0.1228749354,GGA,P3_121,ABC9D2_hP39_152_b_a_a4c_c:Ag-Ce-O-S,39.0,ABC9D2_hP39_152_b_a_a4c_c:Ag-Ce-O-S +mp-1192057,Ag2S2O7,-5.8233966768,-1.4084118842,0.0,-0.0323461271,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Ag-O-S,22.0,A2B7C2_aP22_2_2i_7i_2i:Ag-O-S +mp-660503,Ag2SO4,-5.4567507771,-1.2298483888,0.0305930329,-0.0526899176,GGA,P1,A2B4C_aP14_1_4a_8a_2a:Ag-O-S,14.0,A2B4C_aP14_1_4a_8a_2a:Ag-O-S +mp-5625,Ag2SO4,-5.48734381,-1.2604414216,0.0,-0.0832829504,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ag-O-S,14.0,A2B4C_oF56_70_e_h_a:Ag-O-S +mp-1215021,Ag2SO2,-4.0628501475,-0.1238622883,0.826706347,0.826706347,GGA,Fddd,A2B2C_oF80_70_h_h_c:Ag-O-S,20.0,A2B2C_oF80_70_h_h_c:Ag-O-S +mp-1183033,AgSO4,-5.7988053143,-1.3395118617,0.033839688,-0.0484676346,GGA,P2_1/c,AB4C_mP96_14_4e_16e_4e:Ag-O-S,96.0,AB4C_mP96_14_4e_16e_4e:Ag-O-S +mp-1199508,AgSO4,-5.7893082418,-1.3300147892,0.0433367605,-0.0389705621,GGA,P2_1/c,AB4C_mP96_14_4e_16e_4e:Ag-O-S,96.0,AB4C_mP96_14_4e_16e_4e:Ag-O-S +mp-1196324,AgSO4,-5.8326450023,-1.3733515498,0.0,-0.0823073226,GGA,C2/c,AB4C_mC96_15_abcd_8f_2f:Ag-O-S,48.0,AB4C_mC96_15_abcd_8f_2f:Ag-O-S +mp-30982,Ag2SO3,-5.1630962171,-1.0561582159,0.0751695448,0.0751695448,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Ag-O-S,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2e_4e_e:Ag-O-S, expected Ag2SO4 to be Ag2SO3" +mp-1213610,EuTlS2O9,-6.897306504,-1.8655570362,0.1064903786,0.1064903786,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Eu-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Eu-O-S-Tl +mp-616175,EuSO4,-8.3120455287,-2.6153444434,0.0,-0.1834212942,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Eu-O-S,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_6c5d_c:Eu-O-S, expected EuSO16 to be EuSO4" +mp-21071,Eu2SO2,-9.746834754,-2.8380685761,0.0,-0.0037142986,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Eu-O-S,5.0,A2B2C_hP5_164_d_d_a:Eu-O-S +mp-542297,Eu2SO6,-8.7716144289,-2.7348826806,0.0,-0.1065501425,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Eu-O-S,18.0,A2B6C_mC36_15_f_3f_e:Eu-O-S +mp-1007900,EuTlS2,-6.663486795,-1.4403506249,0.025886428,0.025886428,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-S-Tl,4.0,AB2C_hR12_166_a_c_b:Eu-S-Tl +mp-1194874,TlB3O5,-7.8070140394,-2.5698738155000003,0.0163689436,0.0114082588,GGA,C2/c,A3B5C_mC72_15_3f_5f_f:B-O-Tl,36.0,A3B5C_mC72_15_3f_5f_f:B-O-Tl +mp-29155,TlB3O5,-7.8233829831,-2.5862427591,0.0,-0.0049606848,GGA,P2_12_12_1,A3B5C_oP36_19_3a_5a_a:B-O-Tl,36.0,"Invalid WP multiplicities - A3B5C_oP36_19_4a_8a_a:B-O-Tl, expected Tl(BO2)4 to be TlB3O5" +mp-559057,NbTl(BO3)2,-8.237653545,-2.6873671454,0.0,-0.01673283,GGA,Pna2_1,A2BC6D_oP40_33_2a_a_6a_a:B-Nb-O-Tl,40.0,"Invalid WP multiplicities - A2BC6D_oP40_33_4a_a_21a_a:B-Nb-O-Tl, expected NbTlB4O21 to be NbTl(BO3)2" +mp-8615,NbBO4,-9.0502292183,-2.9556539424,0.0,-0.0189958738,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:B-Nb-O,12.0,ABC4_tI24_141_a_b_h:B-Nb-O +mp-779261,Nb(BO2)5,-8.6012694227,-2.7909474847,0.0666850476,0.0666850476,GGA,P2_1/c,A5BC10_mP64_14_5e_e_10e:B-Nb-O,64.0,"Invalid WP multiplicities - A5BC10_mP64_14_9e_e_27e:B-Nb-O, expected Nb(BO3)9 to be Nb(BO2)5" +mp-28244,TlBO2,-6.9305529112,-2.1966998262,0.0,-0.0112963132,GGA,P4_1,AB2C_tP32_76_2a_4a_2a:B-O-Tl,32.0,AB2C_tP32_76_2a_4a_2a:B-O-Tl +mp-1187494,TlBO3,-5.618110908,-0.8416906977,1.1100852812,1.1100852812,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Tl,5.0,AB3C_cP5_221_b_c_a:B-O-Tl +mp-16457,Tl2B4O7,-7.5566586363,-2.4743759936,0.0,-0.0079925984,GGA,P-1,A4B7C2_aP78_2_12i_21i_6i:B-O-Tl,78.0,A4B7C2_aP78_2_12i_21i_6i:B-O-Tl +mp-731996,TlB2O5,-6.8294409467,-1.7725821661,0.3219089726,0.3219089726,GGA,P2_12_12_1,A2B5C_oP64_19_4a_10a_2a:B-O-Tl,64.0,A2B5C_oP64_19_4a_10a_2a:B-O-Tl +mp-4584,Tl3BO3,-5.7355099557,-1.6487403351,0.0,-0.0418822229,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:B-O-Tl,14.0,AB3C3_hP14_176_c_h_h:B-O-Tl +mp-1179277,Tl4B8O17,-7.2842669278,-2.2160112435,0.0875876453,0.0875876453,GGA,P-1,A8B17C4_aP58_2_8i_17i_4i:B-O-Tl,58.0,A8B17C4_aP58_2_8i_17i_4i:B-O-Tl +mp-1179393,TlB5O12,-7.0166782557,-1.7322412259000002,0.3648185939,0.3648185939,GGA,P2_1/c,A5B12C_mP72_14_5e_12e_e:B-O-Tl,72.0,A5B12C_mP72_14_5e_12e_e:B-O-Tl +mp-1199547,TlB5O12,-6.8087266472,-1.5242896175,0.5727702024,0.5727702024,GGA,P2_1/c,A5B12C_mP72_14_5e_12e_e:B-O-Tl,72.0,A5B12C_mP72_14_5e_12e_e:B-O-Tl +mp-680122,TlB5O8,-8.0614885558,-2.6805520065,0.0,-0.0183889162,GGA,Pbca,A5B8C_oP112_61_5c_8c_c:B-O-Tl,112.0,"Invalid WP multiplicities - A5B8C_oP112_61_37c_53c_c:B-O-Tl, expected TlB37O53 to be TlB5O8" +mp-1218048,TaAgWO7,-8.253370905,-2.0258424208,0.1135303499,0.1135303499,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Ag-O-Ta-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e2j_c_b:Ag-O-Ta-W, expected TaAgWO13 to be TaAgWO7" +mp-556627,K4GeS4,-4.1292573097,-1.2836547419,0.0,-0.0477788681,GGA,P-43n,AB4C4_cP72_218_ac_ei_ei:Ge-K-S,72.0,"Invalid WP multiplicities - AB4C4_cP72_218_ac_6e6i_7e7i:Ge-K-S, expected K24GeS28 to be K4GeS4" +mp-1104447,KGdGeS4,-6.7362606864,-1.5426394708,0.0,-0.0201847982,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Gd-Ge-K-S,14.0,ABCD4_mP14_4_a_a_a_4a:Gd-Ge-K-S +mp-14434,K3GeS3,-4.1599617971,-1.2508797548,0.0,-0.0130698251,GGA,C2/m,AB3C3_mC28_12_i_ehi_ij:Ge-K-S,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_egi_i2j:Ge-K-S, expected K3GeS5 to be K3GeS3" +mp-15784,KGdS2,-7.99321821,-2.1283629798,0.0,-0.1814371472,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-K-S,4.0,ABC2_hR12_166_a_b_c:Gd-K-S +mp-541878,K2Ge2S5,-4.6173473092,-1.0452247605,0.0,-0.0714002252,GGA,C2/c,A2B2C5_mC72_15_2f_2f_2e4f:Ge-K-S,36.0,A2B2C5_mC72_15_2f_2f_2e4f:Ge-K-S +mp-1105300,TlSb(PS3)2,-4.820266984,-0.6065721239,0.0,-0.0097936323,GGA,P2_1,A2B6CD_mP20_4_2a_6a_a_a:P-S-Sb-Tl,20.0,A2B6CD_mP20_4_2a_6a_a_a:P-S-Sb-Tl +mp-572597,SbPS4,-4.9469346474,-0.598917445,0.0,-0.0663659813,GGA,P-1,AB4C_aP72_2_6i_24i_6i:P-S-Sb,72.0,AB4C_aP72_2_12i_48i_12i:P-S-Sb +mp-504838,CsPS3,-4.748621428,-1.0050105321,0.0,-0.2137284695,GGA,Immm,ABC3_oI20_71_e_g_fl:Cs-P-S,10.0,ABC3_oI20_71_e_g_fl:Cs-P-S +mp-572442,Cs3Nd(PS4)2,-5.0423608446,-1.3728923806,0.0,-0.0701298207,GGA,P2_1/c,A3BC2D8_mP56_14_3e_e_2e_8e:Cs-Nd-P-S,56.0,"Invalid WP multiplicities - A3BC2D8_mP56_14_7e_e_6e_28e:Cs-Nd-P-S, expected Cs7Nd(P3S14)2 to be Cs3Nd(PS4)2" +mp-9081,CsNdS2,-5.5304337675,-2.0463213829,0.0008212463,-0.1481041172,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Nd-S,4.0,ABC2_hR12_166_a_b_c:Cs-Nd-S +mp-1095172,CsNdS2,-5.5312550138,-2.0471426292,0.0,-0.1489253634,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Nd-S,8.0,ABC2_hP8_194_c_a_f:Cs-Nd-S +mp-1195703,Rb4Ge(PS3)4,-4.7604401957,-0.9587367398,0.0,-0.0118011647,GGA,C2/c,AB4C4D12_mC84_15_e_2f_2f_6f:Ge-P-Rb-S,42.0,AB4C4D12_mC84_15_e_2f_2f_6f:Ge-P-Rb-S +mp-16863,Rb3PS4,-4.3585486466,-1.2459606226,0.0,-0.0616795404,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:P-Rb-S,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_cd_2c2d:P-Rb-S, expected Rb3PS6 to be Rb3PS4" +mp-1196612,Rb2PS3,-4.4896818429,-1.1923951342,0.0,-0.0322153101,GGA,P2_1/c,AB2C3_mP48_14_2e_4e_6e:P-Rb-S,48.0,AB2C3_mP48_14_2e_4e_6e:P-Rb-S +mp-556953,RbPS3,-4.741105192,-0.980467956,0.0,-0.0589505047,GGA,Immm,ABC3_oI20_71_g_e_fl:P-Rb-S,10.0,"Invalid WP multiplicities - ABC3_oI20_71_g_e_2f2l:P-Rb-S, expected RbPS6 to be RbPS3" +mp-675232,CrHO2,-7.7213349981,-1.9865472637,0.0007175663,-0.0261825403,GGA+U,P2_1/c,ABC2_mP16_14_e_e_2e:Cr-H-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_6e:Cr-H-O, expected CrHO6 to be CrHO2" +mp-23910,CrHO2,-7.7220525644,-1.98726483,0.0,-0.0269001066,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Cr-H-O,16.0,ABC2_hR12_160_a_a_2a:Cr-H-O +mp-24040,CrHO2,-7.7089249825,-1.9741372481,0.0131275819,-0.0137725247,GGA+U,Pmn2_1,ABC2_oP8_31_a_a_2a:Cr-H-O,8.0,ABC2_oP8_31_a_a_2a:Cr-H-O +mp-626703,CrHO2,-7.7134516613,-1.9786639269,0.0086009031,-0.0182992034,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Cr-H-O,16.0,ABC2_oP16_62_c_c_2c:Cr-H-O +mp-602355,Cr3HO8,-7.5339280142,-1.5401465021,0.1782501887,0.1782501887,GGA+U,P2_1/m,A3BC8_mP24_11_3e_e_8e:Cr-H-O,24.0,"Invalid WP multiplicities - A3BC8_mP24_11_3e_e_15e:Cr-H-O, expected Cr3HO15 to be Cr3HO8" +mp-625184,Sr(HO)2,-5.7886892385,-2.1150246453,0.0016603345,-0.059056512,GGA,Pmc2_1,A2B2C_oP20_26_2a2b_2a2b_ab:H-O-Sr,20.0,A2B2C_oP20_26_2a2b_2a2b_ab:H-O-Sr +mp-27425,Sr(HO)2,-5.790349573,-2.1166849798,0.0,-0.0607168465,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:H-O-Sr,20.0,A2B2C_oP20_62_2c_2c_c:H-O-Sr +mp-33500,Cr2HO4,-7.9972365914,-1.9278686157,0.0856608832,0.0856608832,GGA+U,P2/m,A2BC4_mP7_10_bc_d_mn:Cr-H-O,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_bc_e_2mn:Cr-H-O, expected Cr2HO6 to be Cr2HO4" +mp-675581,Cr2HO4,-8.0528433443,-1.9834753686,0.0300541304,0.0300541304,GGA+U,P2/m,A2BC4_mP7_10_ce_a_mn:Cr-H-O,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_ae_c_m2n:Cr-H-O, expected Cr2HO6 to be Cr2HO4" +mp-625841,Sr(H8O5)2,-5.2754918978,-1.3703068131,0.0316654354,0.0282284041,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-625860,Sr(H8O5)2,-5.2778281939,-1.3726431092,0.0293291393,0.025892108,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626210,Sr(H8O5)2,-5.2462086844,-1.3410235998,0.0609486487,0.0575116175,GGA,P1,A16B10C_aP27_1_16a_10a_a:H-O-Sr,27.0,A16B10C_aP27_1_16a_10a_a:H-O-Sr +mp-626216,Sr(H8O5)2,-5.2486444541,-1.3434593694,0.0585128791,0.0550758478,GGA,P1,A16B10C_aP27_1_16a_10a_a:H-O-Sr,27.0,A16B10C_aP27_1_16a_10a_a:H-O-Sr +mp-626271,Sr(H8O5)2,-5.2698064869,-1.3646214022,0.0373508463,0.0339138151,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626282,Sr(H8O5)2,-5.2858819761,-1.3806968915,0.021275357,0.0178383258,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626293,Sr(H8O5)2,-5.2845644439,-1.3793793592,0.0225928893,0.019155858,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626315,Sr(H8O5)2,-5.2623698735,-1.3571847889,0.0447874596,0.0413504284,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626337,Sr(H8O5)2,-5.2646830559,-1.3594979713,0.0424742772,0.039037246,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-1179337,Sr(H8O5)2,-5.2451010407,-1.3399159561,0.0620562924,0.0586192612,GGA,P1,A16B10C_aP27_1_16a_10a_a:H-O-Sr,27.0,A16B10C_aP27_1_16a_10a_a:H-O-Sr +mp-1179365,Sr(H8O5)2,-5.2822314839,-1.3770463992,0.0249258493,0.021488818,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-1179374,Sr(H8O5)2,-5.2495161378,-1.3443310531,0.0576411954,0.0542041641,GGA,P1,A16B10C_aP27_1_16a_10a_a:H-O-Sr,27.0,A16B10C_aP27_1_16a_10a_a:H-O-Sr +mp-1179416,Sr(H8O5)2,-5.2735692733,-1.3683841887,0.0335880598,0.0301510286,GGA,P1,A16B10C_aP54_1_32a_20a_2a:H-O-Sr,54.0,A16B10C_aP54_1_32a_20a_2a:H-O-Sr +mp-626197,Sr(H8O5)2,-5.2487999859,-1.3436149013,0.0583573472,0.054920316,GGA,P-1,A16B10C_aP27_2_8i_5i_a:H-O-Sr,27.0,"Invalid WP multiplicities - A16B10C_aP27_2_16i_9i_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-1179340,Sr(H8O5)2,-5.2448507319,-1.3396656472,0.0623066013,0.0588695701,GGA,C2,A16B10C_mC54_5_8c_5c_a:H-O-Sr,27.0,"Invalid WP multiplicities - A16B10C_mC54_5_16c_9c_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-1179371,Sr(H8O5)2,-5.2534024022,-1.3482173176,0.0537549309,0.0503178997,GGA,C2,A16B10C_mC54_5_8c_5c_a:H-O-Sr,27.0,"Invalid WP multiplicities - A16B10C_mC54_5_16c_9c_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-625803,Sr(H8O5)2,-5.3071573331,-1.4019722485,0.0,-0.0034370312,GGA,Pc,A16B10C_mP54_7_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mP54_7_32a_18a_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-625824,Sr(H8O5)2,-5.2726694622,-1.3674843776,0.0344878709,0.0310508397,GGA,Cc,A16B10C_mC108_9_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_9_32a_18a_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-626260,Sr(H8O5)2,-5.2461467276,-1.3409616429,0.0610106056,0.0575735743,GGA,Cc,A16B10C_mC108_9_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_9_32a_16a_a:H-O-Sr, expected Sr(H2O)16 to be Sr(H8O5)2" +mp-626287,Sr(H8O5)2,-5.2458427698,-1.3406576852,0.0613145633,0.0578775321,GGA,Cc,A16B10C_mC108_9_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_9_32a_18a_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-1179312,Sr(H8O5)2,-5.2692754204,-1.3640903357,0.0378819128,0.0344448815,GGA,Cc,A16B10C_mC108_9_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_9_32a_18a_a:H-O-Sr, expected Sr(H16O9)2 to be Sr(H8O5)2" +mp-1179353,Sr(H8O5)2,-5.2624747928,-1.3572897081,0.0446825404,0.0412455091,GGA,Cc,A16B10C_mC108_9_16a_10a_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_9_32a_16a_a:H-O-Sr, expected Sr(H2O)16 to be Sr(H8O5)2" +mp-626241,Sr(H8O5)2,-5.2616301746,-1.35644509,0.0455271585,0.0420901273,GGA,C2/c,A16B10C_mC108_15_8f_5f_a:H-O-Sr,54.0,"Invalid WP multiplicities - A16B10C_mC108_15_31f_15f_c:H-O-Sr, expected Sr(H31O15)2 to be Sr(H8O5)2" +mp-1218324,SrCrHO2,-7.017528036,-2.0917991578,0.0,-0.0003526127,GGA+U,P4/mmm,ABC2D_tP5_123_b_a_e_c:Cr-H-O-Sr,10.0,ABC2D_tP5_123_b_a_e_c:Cr-H-O-Sr +mp-642654,SrH2O3,-5.3661764325,-1.480341153,0.3103683469,0.3103683469,GGA,Pmc2_1,A2B3C_oP12_26_c_a2b_a:H-O-Sr,12.0,A2B3C_oP12_26_c_a2b_a:H-O-Sr +mp-1226463,CrH5O4,-6.068065323,-1.427722069,0.1364162753,0.1364162753,GGA+U,Pm,AB5C4_mP10_6_a_2abc_2a2b:Cr-H-O,10.0,AB5C4_mP10_6_a_2abc_2a2b:Cr-H-O +mp-24312,Sr(H9O5)2,-5.293366096,-1.4235230141000002,0.0024328959,0.0024328959,GGA,P4/ncc,A18B10C_tP116_130_2c4g_2c2g_a:H-O-Sr,116.0,"Invalid WP multiplicities - A18B10C_tP116_130_2c8g_2c2g_a:H-O-Sr, expected Sr(H17O5)2 to be Sr(H9O5)2" +mp-626750,SrH4O3,-5.5142778019000005,-1.751719831,0.0519785391,0.0519785391,GGA,P1,A4B3C_aP16_1_8a_6a_2a:H-O-Sr,16.0,A4B3C_aP16_1_8a_6a_2a:H-O-Sr +mp-626755,SrH4O3,-5.5297149944,-1.7671570235,0.0365413466,0.0365413466,GGA,P1,A4B3C_aP16_1_8a_6a_2a:H-O-Sr,16.0,A4B3C_aP16_1_8a_6a_2a:H-O-Sr +mp-626727,SrH4O3,-5.56067235,-1.7981143791,0.0055839909,0.0055839909,GGA,P2_1,A4B3C_mP16_4_4a_3a_a:H-O-Sr,16.0,"Invalid WP multiplicities - A4B3C_mP16_4_6a_3a_a:H-O-Sr, expected Sr(H2O)3 to be SrH4O3" +mp-28420,SrH4O3,-5.5630863894,-1.8005284185,0.0031699516,0.0031699516,GGA,Pmc2_1,A4B3C_oP16_26_2ac_2ab_b:H-O-Sr,16.0,"Invalid WP multiplicities - A4B3C_oP16_26_2ac_3a2b_b:H-O-Sr, expected SrH4O5 to be SrH4O3" +mp-625836,Sr(H2O3)2,-5.0870291068,-1.0015263886,0.3794973909,0.3147567297,GGA,Cc,A4B6C_mC44_9_4a_6a_a:H-O-Sr,22.0,"Invalid WP multiplicities - A4B6C_mC44_9_5a_9a_a:H-O-Sr, expected SrH5O9 to be Sr(H2O3)2" +mp-625871,Sr(H2O3)2,-5.3432642623,-1.257761544,0.1232622355,0.0585215742,GGA,Cc,A4B6C_mC44_9_4a_6a_a:H-O-Sr,22.0,"Invalid WP multiplicities - A4B6C_mC44_9_6a_9a_a:H-O-Sr, expected Sr(H2O3)3 to be Sr(H2O3)2" +mp-1179405,Sr(H2O3)2,-5.4665264977,-1.3810237795,0.0,-0.0647406612,GGA,Cc,A4B6C_mC44_9_4a_6a_a:H-O-Sr,22.0,"Invalid WP multiplicities - A4B6C_mC44_9_6a_9a_a:H-O-Sr, expected Sr(H2O3)3 to be Sr(H2O3)2" +mp-625812,Sr(H2O3)2,-5.1253681077,-1.0398653895,0.34115839,0.2764177288,GGA,C2/c,A4B6C_mC44_15_2f_3f_e:H-O-Sr,22.0,A4B6C_mC44_15_2f_3f_e:H-O-Sr +mp-625821,Sr(H2O3)2,-5.2904618036,-1.2049590854,0.1760646941,0.1113240329,GGA,C2/c,A4B6C_mC44_15_2f_3f_e:H-O-Sr,22.0,A4B6C_mC44_15_2f_3f_e:H-O-Sr +mp-1198168,Fe5(BO3)6,-7.9817490586,-2.0690989387,0.1300456102,0.1300456102,GGA+U,Pmmn,A6B5C18_oP58_59_3e_a2e_ab8e:B-Fe-O,58.0,A6B5C18_oP58_59_3e_a2e_ab8e:B-Fe-O +mp-1279062,Fe(BO2)2,-8.4026125821,-2.4575326398,0.0113139076,0.0113139076,GGA+U,P-1,A2BC4_aP14_2_2i_i_4i:B-Fe-O,28.0,"Invalid WP multiplicities - A2BC4_aP14_2_4i_i_8i:B-Fe-O, expected Fe(BO2)4 to be Fe(BO2)2" +mp-559436,Fe(BO2)2,-8.2772298291,-2.3321498867,0.1366966607,0.1366966607,GGA+U,P2_1/c,A2BC4_mP56_14_4e_2e_8e:B-Fe-O,56.0,"Invalid WP multiplicities - A2BC4_mP56_14_15e_6e_31e:B-Fe-O, expected Fe6B15O31 to be Fe(BO2)2" +mp-1104448,Fe(BO2)2,-8.3988420668,-2.4537621244,0.015084423,0.015084423,GGA+U,C2/c,A2BC4_mC28_15_f_e_2f:B-Fe-O,28.0,A2BC4_mC28_15_f_e_2f:B-Fe-O +mp-566717,Fe2BO4,-8.2692343166,-2.0683501686,0.010866037,0.010866037,GGA+U,Pc,AB2C4_mP56_7_4a_8a_16a:B-Fe-O,56.0,AB2C4_mP56_7_4a_8a_16a:B-Fe-O +mp-559609,Fe2BO4,-8.2106292914,-2.0097451435,0.0694710621,0.0694710621,GGA+U,Pmc2_1,AB2C4_oP56_26_abc_2a2b2c_4a4b4c:B-Fe-O,56.0,"Invalid WP multiplicities - AB2C4_oP56_26_2a2b3c_3a4b6c_8a8b16c:B-Fe-O, expected Fe19(B5O24)2 to be Fe2BO4" +mp-20302,Fe2BO4,-8.2587291711,-2.0578450231,0.0213711825,0.0213711825,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:B-Fe-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_10c:B-Fe-O, expected Fe5BO10 to be Fe2BO4" +mp-1181439,Fe3B7BrO13,-8.2547352677,-2.5036607843,0.0,-0.0670844307,GGA+U,R3c,A7BC3D13_hR144_161_a2b_a_b_a4b:B-Br-Fe-O,48.0,A7BC3D13_hR144_161_a2b_a_b_a4b:B-Br-Fe-O +mp-1212713,Fe3B7BrO13,-8.2310985267,-2.4800240432,0.023636741,-0.0434476897,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Fe-O,48.0,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Fe-O +mp-1213438,Fe(BO)6,-7.6764461369,-1.6590227444,0.5663478936,0.5663478936,GGA+U,C2/m,A6BC6_mC26_12_ij_a_ij:B-Fe-O,13.0,"Invalid WP multiplicities - A6BC6_mC26_12_ij_a_2i3j:B-Fe-O, expected Fe(B3O8)2 to be Fe(BO)6" +mp-1237181,Fe(BO)6,-7.4128254323,-1.3954020398,0.8299685982,0.8299685982,GGA+U,C2/m,A6BC6_mC26_12_ij_a_ij:B-Fe-O,13.0,"Invalid WP multiplicities - A6BC6_mC26_12_ij_a_2i3j:B-Fe-O, expected Fe(B3O8)2 to be Fe(BO)6" +mp-1191380,FeB4O7,-8.4126457773,-2.594778338,0.0115570173,0.0115570173,GGA+U,Cmcm,A4BC7_oC48_63_eg_c_cgh:B-Fe-O,48.0,A4BC7_oC48_63_eg_c_cgh:B-Fe-O +mp-1199904,FeBO3,-8.1770801547,-2.1791843318,0.0919413763,0.0791961414,GGA+U,P2_1/c,ABC3_mP40_14_2e_2e_6e:B-Fe-O,40.0,ABC3_mP40_14_2e_2e_6e:B-Fe-O +mp-849295,FeBO3,-8.1663691055,-2.1684732826,0.1026524255,0.0899071906,GGA+U,C2/c,ABC3_mC20_15_e_a_ef:B-Fe-O,20.0,ABC3_mC20_15_e_c_ef:B-Fe-O +mp-19097,FeBO3,-8.269021531,-2.2711257081,0.0,-0.0127452349,GGA+U,R-3c,ABC3_hR30_167_a_b_e:B-Fe-O,10.0,ABC3_hR30_167_a_b_e:B-Fe-O +mp-1274711,FeBO3,-8.1665428,-2.1686469771,0.102478731,0.0897334961,GGA+U,P6_3/mmc,ABC3_hP10_194_c_a_h:B-Fe-O,20.0,ABC3_hP10_194_c_a_h:B-Fe-O +mp-19333,Fe2B2O5,-8.40022475,-2.2855281369,0.0,-0.0370988293,GGA+U,P-1,A2B2C5_aP18_2_2i_2i_5i:B-Fe-O,18.0,"Invalid WP multiplicities - A2B2C5_aP18_2_2i_2i_8i:B-Fe-O, expected FeBO4 to be Fe2B2O5" +mp-22774,Fe3BO6,-8.1651196335,-1.9881608667,0.001329352,0.001329352,GGA+U,Pnma,AB3C6_oP40_62_c_cd_2c2d:B-Fe-O,40.0,"Invalid WP multiplicities - AB3C6_oP40_62_c_cd_2c3d:B-Fe-O, expected Fe3BO8 to be Fe3BO6" +mp-504752,Fe3BO5,-8.2791965239,-1.9655410842,0.0012111503,-0.0180103231,GGA+U,P2/m,AB3C5_mP18_10_m_acdhn_3m2n:B-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mP18_10_m_acdhn_4m4n:B-Fe-O, expected Fe3BO8 to be Fe3BO5" +mp-22223,Fe3BO5,-8.2804076742,-1.9667522345,0.0,-0.0192214733,GGA+U,Pbam,AB3C5_oP36_55_g_adgh_3g2h:B-Fe-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_55_g_2bc3g2h_11g6h:B-Fe-O, expected Fe13(BO17)2 to be Fe3BO5" +mp-558179,Fe3BO5,-8.251474041,-1.9378186013,0.0289336332,0.0097121599,GGA+U,Pnma,AB3C5_oP72_62_2c_a3cd_6c2d:B-Fe-O,72.0,"Invalid WP multiplicities - AB3C5_oP72_62_6c_4a10c4d_22c14d:B-Fe-O, expected Fe11B3O25 to be Fe3BO5" +mp-1194246,Nb2NiS4,-7.0479089896,-0.9724023857,0.2483953656,0.2483953656,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Nb-Ni-S,28.0,A2BC4_oP28_62_2c_c_4c:Nb-Ni-S +mp-1210488,Nb2NiS4,-7.0146939954,-0.9391873914,0.2816103599,0.2816103599,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Nb-Ni-S,28.0,A2BC4_oP28_62_2c_c_4c:Nb-Ni-S +mp-1206548,Nb2NiS4,-6.8790928814,-0.8035862775,0.4172114738,0.4172114738,GGA,P-3m1,A2BC4_hP7_164_d_a_2d:Nb-Ni-S,7.0,A2BC4_hP7_164_d_a_2d:Nb-Ni-S +mp-5745,Nb2CS2,-8.589899482,-1.0490644207,0.0219595611,0.0219595611,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-Nb-S,5.0,AB2C2_hP5_164_a_d_d:C-Nb-S +mp-4384,Nb2CS2,-8.595358406,-1.0545233447,0.0165006371,0.0165006371,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Nb-S,5.0,AB2C2_hR15_166_a_c_c:C-Nb-S +mp-9988,Nb2CS,-9.2768363238,-0.8849049639000001,0.0247363409,0.0247363409,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Nb-S,8.0,AB2C_hP8_194_a_f_c:C-Nb-S +mp-1192540,Nb4NiS8,-7.4051745073,-1.30694714,0.0,-0.0095707015,GGA,P6_3/mmc,A4BC8_hP26_194_bh_a_fk:Nb-Ni-S,26.0,A4BC8_hP26_194_bh_a_fk:Nb-Ni-S +mp-1173526,Nb3NiS6,-7.372112739,-1.2818376389,0.0,-0.005816078,GGA,P6_322,A3BC6_hP20_182_af_c_i:Nb-Ni-S,20.0,A3BC6_hP20_182_af_c_i:Nb-Ni-S +mp-1220518,Nb4Ni(CS2)2,-8.3218766891,-0.941105117,0.0377665975,0.0377665975,GGA,P2/m,A2B4CD4_mP11_10_bd_mn_c_mn:C-Nb-Ni-S,11.0,"Invalid WP multiplicities - A2B4CD4_mP11_10_ce_2m2n_b_2m2n:C-Nb-Ni-S, expected Nb8Ni(CS4)2 to be Nb4Ni(CS2)2" +mp-754668,Hf3N2O3,-10.7477149712,-3.074637087,0.0376108531,0.0171782427,GGA,Cm,A3B2C3_mC32_8_6a_4a_6a:Hf-N-O,16.0,A3B2C3_mC32_8_6a_4a_6a:Hf-N-O +mp-761033,Hf3N2O3,-10.7853258244,-3.1122479402,0.0,-0.0204326105,GGA,Cm,A3B2C3_mC32_8_6a_4a_6a:Hf-N-O,16.0,A3B2C3_mC32_8_6a_4a_6a:Hf-N-O +mp-760360,Hf3N2O3,-10.7147519737,-3.0416740895,0.0705738506,0.0501412402,GGA,Cmc2_1,A3B2C3_oC32_36_3a_2a_3a:Hf-N-O,16.0,"Invalid WP multiplicities - A3B2C3_oC32_36_5a_3a_5a:Hf-N-O, expected Hf5N3O5 to be Hf3N2O3" +mp-760007,Hf3N2O3,-10.7815429663,-3.108465082,0.0037828581,-0.0166497523,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Hf-N-O,16.0,"Invalid WP multiplicities - A3B2C3_oC32_63_2c2f_f_2c2f:Hf-N-O, expected Hf3NO3 to be Hf3N2O3" +mp-761034,Hf5N5O2,-10.8078625342,-2.361046101,0.072467054,0.072467054,GGA,Cm,A5B5C2_mC24_8_5a_5a_2a:Hf-N-O,12.0,A5B5C2_mC24_8_5a_5a_2a:Hf-N-O +mp-761032,Hf5N5O2,-10.8249503625,-2.3781339294,0.0553792256,0.0553792256,GGA,C2/m,A5B5C2_mC24_12_a2i_d2i_i:Hf-N-O,12.0,"Invalid WP multiplicities - A5B5C2_mC24_12_a3i_c3i_i:Hf-N-O, expected Hf7N7O2 to be Hf5N5O2" +mp-757336,Hf2N2O,-10.8368586772,-2.530047353,0.0044616325,0.0026015649,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776212,Hf2N2O,-10.8370592905,-2.5302479663,0.0042610193,0.0024009517,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776213,Hf2N2O,-10.8365323983,-2.529721074,0.0047879115,0.0029278439,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776214,Hf2N2O,-10.8356333112,-2.528821987,0.0056869985,0.0038269309,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776225,Hf2N2O,-10.838730276,-2.5319189518,0.0025900337,0.0007299662,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776226,Hf2N2O,-10.835588683,-2.5287773588,0.0057316267,0.0038715592,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-776259,Hf2N2O,-10.8353460185,-2.5285346943,0.0059742912,0.0041142237,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-754833,Hf2N2O,-10.768232374,-2.4614210498,0.0730879357,0.0712278682,GGA,P1,A2B2C_aP20_1_8a_8a_4a:Hf-N-O,20.0,A2B2C_aP20_1_8a_8a_4a:Hf-N-O +mp-754837,Hf2N2O,-10.7683543705,-2.4615430463,0.0729659393,0.0711058717,GGA,P1,A2B2C_aP20_1_8a_8a_4a:Hf-N-O,20.0,A2B2C_aP20_1_8a_8a_4a:Hf-N-O +mp-675093,Hf2N2O,-10.8385541217,-2.5317427975,0.002766188,0.0009061204,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779738,Hf2N2O,-10.8376368083,-2.530825484,0.0036835015,0.0018234339,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779739,Hf2N2O,-10.840174301,-2.5333629768,0.0011460087,-0.0007140588,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779833,Hf2N2O,-10.8330986677,-2.5262873435,0.008221642,0.0063615744,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779837,Hf2N2O,-10.839844234,-2.5330329098,0.0014760757,-0.0003839918,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779863,Hf2N2O,-10.8364592743,-2.52964795,0.0048610355,0.0030009679,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779864,Hf2N2O,-10.8321821225,-2.5253707983,0.0091381873,0.0072781197,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779973,Hf2N2O,-10.8389196387,-2.5321083145000003,0.002400671,0.0005406034,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779974,Hf2N2O,-10.8402575727,-2.5334462485,0.001062737,-0.0007973306,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779975,Hf2N2O,-10.8347307112,-2.527919387,0.0065895985,0.0047295309,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779979,Hf2N2O,-10.8371911892,-2.530379865,0.0041291205,0.0022690529,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779980,Hf2N2O,-10.8352131345,-2.5284018103,0.0061071752,0.0042471077,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-779982,Hf2N2O,-10.8304375432,-2.523626219,0.0108827665,0.0090226989,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780060,Hf2N2O,-10.8377878965,-2.5309765723,0.0035324132,0.0016723457,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780061,Hf2N2O,-10.8288264405,-2.5220151163,0.0124938693,0.0106338017,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780075,Hf2N2O,-10.8413203097,-2.5345089855,0.0,-0.0018600676,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780232,Hf2N2O,-10.836458371,-2.5296470468,0.0048619388,0.0030018712,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780231,Hf2N2O,-10.8367044495,-2.5298931253,0.0046158602,0.0027557927,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780230,Hf2N2O,-10.8374489593,-2.530637635,0.0038713505,0.0020112829,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780234,Hf2N2O,-10.8357872467,-2.5289759225,0.005533063,0.0036729954,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-858629,Hf2N2O,-7.2020851117,1.1047262125,3.639235198,3.6373751304,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-780274,Hf2N2O,-10.837447373,-2.5306360487,0.0038729367,0.0020128692,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-775783,Hf2N2O,-10.835166126,-2.5283548018,0.0061541837,0.0042941162,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-775784,Hf2N2O,-10.8405782935,-2.5337669693,0.0007420162,-0.0011180513,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-775785,Hf2N2O,-10.8371671555,-2.5303558313,0.0041531542,0.0022930867,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-775786,Hf2N2O,-10.8381718908,-2.5313605665,0.003148419,0.0012883514,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-787619,Hf2N2O,-7.1903672695,1.1164440547,3.6509530403,3.6490929727,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-775799,Hf2N2O,-10.8399860862,-2.533174762,0.0013342235,-0.0005258441,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-1360261,Hf2N2O,-7.423218795,0.8835925292000001,3.4181015148,3.4162414472,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-1360299,Hf2N2O,-7.0565550572,1.250256267,3.7847652525,3.7829051849,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-1362216,Hf2N2O,-7.3617646897,0.9450466345,3.47955562,3.4776955524,GGA,P1,A2B2C_aP40_1_16a_16a_8a:Hf-N-O,40.0,A2B2C_aP40_1_16a_16a_8a:Hf-N-O +mp-756096,Hf2N2O,-10.7651968945,-2.4583855703,0.0761234153,0.0742633477,GGA,C2,A2B2C_mC40_5_4c_4c_abc:Hf-N-O,20.0,A2B2C_mC40_5_6c_6c_ab2c:Hf-N-O +mp-780050,Hf2N2O,-10.754637951,-2.4478266268,0.0866823587,0.0848222912,GGA,Pm,A2B2C_mP30_6_6a6b_4a8b_5ab:Hf-N-O,30.0,A2B2C_mP30_6_6a6b_4a8b_5ab:Hf-N-O +mp-780169,Hf2N2O,-10.762312111,-2.4555007867,0.0790081987,0.0771481312,GGA,Pm,A2B2C_mP30_6_6a6b_4a8b_5ab:Hf-N-O,30.0,A2B2C_mP30_6_6a6b_4a8b_5ab:Hf-N-O +mp-760052,Hf2N2O,-10.740871444,-2.4340601197,0.1004488657,0.0985887982,GGA,Cm,A2B2C_mC30_8_6a_6a_3a:Hf-N-O,15.0,A2B2C_mC30_8_6a_6a_3a:Hf-N-O +mp-1178187,Hf2N2O,-10.768272222,-2.4614608978,0.0730480877,0.0711880202,GGA,Cc,A2B2C_mC20_9_2a_2a_a:Hf-N-O,10.0,"Invalid WP multiplicities - A2B2C_mC20_9_4a_2a_a:Hf-N-O, expected Hf4N2O to be Hf2N2O" +mp-776205,Hf2N2O,-10.746440824,-2.4396294998,0.0948794857,0.0930194182,GGA,P2_1/m,A2B2C_mP10_11_2e_2e_e:Hf-N-O,10.0,"Invalid WP multiplicities - A2B2C_mP10_11_3e_3e_e:Hf-N-O, expected Hf3N3O to be Hf2N2O" +mp-755314,Hf2N2O,-10.7679007133,-2.4610893891,0.0734195964,0.0715595288,GGA,C2/m,A2B2C_mC30_12_3i_3i_ai:Hf-N-O,15.0,"Invalid WP multiplicities - A2B2C_mC30_12_5i_5i_ai:Hf-N-O, expected Hf10N10O3 to be Hf2N2O" +mp-754361,Hf2N2O,-10.7438963475,-2.4370850233,0.0974239622,0.0955638947,GGA,P2/c,A2B2C_mP20_13_2g_efg_g:Hf-N-O,20.0,"Invalid WP multiplicities - A2B2C_mP20_13_3g_ef2g_g:Hf-N-O, expected Hf3N3O to be Hf2N2O" +mp-761019,Hf2N2O,-10.7452192165,-2.4384078923,0.0961010932,0.0942410257,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Hf-N-O,20.0,"Invalid WP multiplicities - A2B2C_mP20_14_6e_7e_e:Hf-N-O, expected Hf6N7O to be Hf2N2O" +mp-776220,Hf2N2O,-10.7644732777,-2.4576619534,0.0768470321,0.0749869645,GGA,C2/c,A2B2C_mC60_15_3f_3f_ef:Hf-N-O,30.0,"Invalid WP multiplicities - A2B2C_mC60_15_9f_5f_ef:Hf-N-O, expected Hf18N10O3 to be Hf2N2O" +mp-755911,Hf2N2O,-10.732855295,-2.4260439708,0.1084650147,0.1066049472,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Hf-N-O,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_5c_5c_c:Hf-N-O, expected Hf5N5O to be Hf2N2O" +mp-752754,Hf2N2O,-10.73399796,-2.4271866358,0.1073223497,0.1054622822,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Hf-N-O,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_5c_5c_c:Hf-N-O, expected Hf5N5O to be Hf2N2O" +mp-775788,Hf2N2O,-10.754371426,-2.4475601018,0.0869488837,0.0850888162,GGA,I4_1/amd,A2B2C_tI80_141_ceh_2h_h:Hf-N-O,40.0,"Invalid WP multiplicities - A2B2C_tI80_141_2c3e5h_11h_h:Hf-N-O, expected Hf15(N11O)2 to be Hf2N2O" +mp-775787,Hf2N2O,-10.7529020515,-2.4460907273,0.0884182582,0.0865581907,GGA,P-3m1,A2B2C_hP40_164_ac2dfi_cd2i_di:Hf-N-O,40.0,"Invalid WP multiplicities - A2B2C_hP40_164_a2c4d3f2i_c2d8i_2d3i:Hf-N-O, expected Hf17N27O11 to be Hf2N2O" +mp-1235072,LiHf8(N2O)4,-10.3041124519,-2.3019624828,0.155058416,0.155058416,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O +mp-1235358,LiHf8(N2O)4,-10.3069634962,-2.3048135271,0.1522073717,0.1522073717,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O +mp-1235664,LiHf8(N2O)4,-10.2885399114,-2.2863899423,0.1706309565,0.1706309565,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O +mp-1236779,LiHf8(N2O)4,-10.3064874876,-2.3043375185,0.1526833803,0.1526833803,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Li-N-O +mp-1029331,LiHf2N3,-9.4747698558,-1.6693055722,0.0,-0.0184276835,GGA,Cmcm,A2BC3_oC24_63_g_c_cg:Hf-Li-N,12.0,A2BC3_oC24_63_g_c_cg:Hf-Li-N +mp-1097065,Li2HfN2,-7.433361806,-1.3437568833,0.0,-0.1594565335,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Hf-Li-N,5.0,AB2C2_hP5_164_a_d_d:Hf-Li-N +mp-2228404,MgMn2(CO3)4,-8.0414552905,-1.9257059674,0.0932220636,0.0932220636,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:C-Mg-Mn-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:C-Mg-Mn-O +mp-1022968,Mg6MnC,-3.3060257669,0.1930193687,0.2161857381,0.2161857381,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Mn, expected Mg12MnC to be Mg6MnC" +mp-1099264,Mg6MnC,-2.8735250050000003,0.6255201306,0.6486864999999999,0.6486864999999999,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Mn,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Mn +mp-1032692,Mg6MnCO8,-6.4940287238,-2.2711618003,0.4586752163,0.4586752163,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:C-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:C-Mg-Mn-O, expected Mg6MnCO12 to be Mg6MnCO8" +mp-1032752,Mg6MnCO8,-6.5012082025,-2.2783412791,0.4514957376,0.4514957376,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:C-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:C-Mg-Mn-O, expected Mg6MnCO12 to be Mg6MnCO8" +mp-1036119,Mg14MnCO16,-6.4089875237000005,-2.6608118717,0.2311267863,0.2311267863,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:C-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:C-Mg-Mn-O, expected Mg18MnCO20 to be Mg14MnCO16" +mp-1036100,Mg14MnCO16,-6.4058927028,-2.6577170508,0.2342216072,0.2342216072,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:C-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:C-Mg-Mn-O, expected Mg30MnCO32 to be Mg14MnCO16" +mp-1037884,Mg30MnCO32,-6.3658932181,-2.8550632018,0.1179262769,0.1179262769,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:C-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:C-Mg-Mn-O, expected Mg90MnCO80 to be Mg30MnCO32" +mp-1098744,Mg30MnCO32,-6.364379277,-2.8535492607,0.119440218,0.119440218,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:C-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:C-Mg-Mn-O, expected Mg110MnCO72 to be Mg30MnCO32" +mp-1028143,Mg14MnC,-2.3267021206000003,0.2229604722,0.2401031109,0.2401031109,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Mn, expected Mg18MnC to be Mg14MnC" +mp-1028076,Mg14MnC,-2.2249927113,0.3246698815,0.3418125203,0.3418125203,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Mn, expected Mg26MnC to be Mg14MnC" +mp-2217116,MgMn(CO3)2,-8.119443489,-2.2294676295,0.0022858295,0.0022858295,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Mg-Mn-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Mg-Mn-O +mp-1112877,Cs2YCuI6,-3.547181951,-1.4275138883,0.0668035222,0.0668035222,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Y +mp-1029834,HfMgN2,-8.6672926831,-1.6096779506,0.0410833556,-0.1455650797,GGA,Pnma,ABC2_oP16_62_c_c_2c:Hf-Mg-N,16.0,ABC2_oP16_62_c_c_2c:Hf-Mg-N +mp-1245813,HfMgN2,-8.7083760388,-1.6507613062000002,0.0,-0.1866484353,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Hf-Mg-N,,ABC2_tI16_141_a_b_e:Hf-Mg-N +mp-1180607,Mg(N3O8)2,-5.4424828817,0.2430070739,1.1490394248,1.1490394248,GGA,P2_1/c,AB6C16_mP46_14_a_3e_8e:Mg-N-O,46.0,AB6C16_mP46_14_a_3e_8e:Mg-N-O +mp-726111,Mg(NO4)2,-5.9887170486,-0.7299189041,0.3788176148,0.3788176148,GGA,P2_1/c,AB2C8_mP22_14_a_e_4e:Mg-N-O,22.0,AB2C8_mP22_14_a_e_4e:Mg-N-O +mp-779162,Mg4N6O19,-6.5693099093,-1.3828555899,0.0894335729,0.0894335729,GGA,P3,A4B6C19_hP87_143_abc3d_6d_abc18d:Mg-N-O,87.0,"Invalid WP multiplicities - A4B6C19_hP87_143_abc8d_17d_abc52d:Mg-N-O, expected Mg9N17O53 to be Mg4N6O19" +mp-1233027,Hf8Mg(N2O)4,-10.2218241471,-2.234371455,0.2364718633,0.2364718633,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1233149,Hf8Mg(N2O)4,-10.2310624386,-2.2436097464,0.2272335718,0.2272335718,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1233332,Hf8Mg(N2O)4,-10.2264086743,-2.2389559821,0.2318873361,0.2318873361,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1233811,Hf8Mg(N2O)4,-10.2117813043,-2.2243286121,0.2465147061,0.2465147061,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1233979,Hf8Mg(N2O)4,-10.1917342252,-2.2042815331,0.2665617852,0.2665617852,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1234131,Hf8Mg(N2O)4,-10.2290696181,-2.241616926,0.2292263923,0.2292263923,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-1234460,Hf8Mg(N2O)4,-10.1987123105,-2.2112596183,0.2595836999,0.2595836999,GGA,P1,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O,21.0,A8BC8D4_aP21_1_8a_a_8a_4a:Hf-Mg-N-O +mp-776410,Mg(NO3)2,-6.6761661175,-1.3480103211,0.0071120908,-0.1140066187,GGA,Pca2_1,AB2C6_oP72_29_2a_4a_12a:Mg-N-O,72.0,"Invalid WP multiplicities - AB2C6_oP72_29_5a_13a_45a:Mg-N-O, expected Mg5N13O45 to be Mg(NO3)2" +mp-1020058,Mg(NO3)2,-6.6812119648,-1.3530561684,0.0020662435,-0.119052466,GGA,R-3,AB2C6_hR324_148_acef_3c3f_12f:Mg-N-O,108.0,AB2C6_hR324_148_acef_3c3f_12f:Mg-N-O +mp-771046,Mg(NO3)2,-6.6832782083,-1.3551224119,0.0,-0.1211187095,GGA,Pa-3,AB2C6_cP36_205_a_c_d:Mg-N-O,36.0,AB2C6_cP36_205_a_c_d:Mg-N-O +mp-1180567,Mg(NO6)2,-5.286534784,-0.1109658217,0.7021076255,0.7021076255,GGA,P2_1/c,AB2C12_mP30_14_a_e_6e:Mg-N-O,30.0,AB2C12_mP30_14_a_e_6e:Mg-N-O +mp-1193738,Mg(NO6)2,-5.2824935087,-0.1069245463,0.7061489008,0.7061489008,GGA,P2_1/c,AB2C12_mP30_14_a_e_6e:Mg-N-O,30.0,AB2C12_mP30_14_a_e_6e:Mg-N-O +mp-559115,P2RhClF6,-5.5347086914,-2.3838763565,0.0,-0.0166684471,GGA,P2_1/c,AB6C2D_mP80_14_2e_12e_4e_2e:Cl-F-P-Rh,80.0,"Invalid WP multiplicities - AB6C2D_mP80_14_5e_48e_15e_5e:Cl-F-P-Rh, expected P15Rh5Cl5F48 to be P2RhClF6" +mp-1211662,K3TbF6,-5.5427987465,-3.5993550719,0.0026429418,0.0026429418,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-K-Tb,20.0,A6B3C_mP20_14_3e_ae_b:F-K-Tb +mp-1205709,K3TbF6,-5.4380348,-3.4945911254,0.1074068883,0.1074068883,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-K-Tb,10.0,A6B3C_tI20_139_ei_bd_a:F-K-Tb +mp-1211435,KLiTbF5,-5.9632075438,-3.8118221999,0.0,-0.007411102,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Tb,32.0,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Tb +mp-4246,Li2TbF6,-5.6026951019,-3.3892411421,0.0034755067,0.0034755067,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-Tb,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_12e_2e_e:F-Li-Tb, expected Li2TbF12 to be Li2TbF6" +mp-1196923,Li2TbF6,-5.5907392031,-3.3772852432,0.0154314056,0.0154314056,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-Tb,36.0,A6B2C_mP36_14_6e_2e_e:F-Li-Tb +mp-29788,KTb3F12,-6.0967963444,-3.7248435408,0.0340910775,0.0340910775,GGA,I4/m,A12BC3_tI32_87_hi_a_bd:F-K-Tb,16.0,"Invalid WP multiplicities - A12BC3_tI32_87_h2i_a_b2d:F-K-Tb, expected KTb5F20 to be KTb3F12" +mp-4377,K2TbF6,-5.4060980622,-3.3700938623,0.0167395538,0.0167395538,GGA,C2/c,A6B2C_mC36_15_3f_f_e:F-K-Tb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4f_f_e:F-K-Tb, expected K2TbF8 to be K2TbF6" +mp-505089,Li4TbF8,-5.4310475958,-3.3109022645,0.0120383687,0.0120383687,GGA,Pnma,A8B4C_oP52_62_2c3d_2d_c:F-Li-Tb,52.0,A8B4C_oP52_62_2c3d_2d_c:F-Li-Tb +mp-1211007,LiTbF2,-5.1607362144,-2.569174489,0.5030204306,0.5030204306,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Tb,16.0,A2BC_tI32_141_h_c_d:F-Li-Tb +mp-17838,KTb3F10,-6.7336600582,-4.2959252781,0.0,-0.0078730554,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-K-Tb,28.0,A10BC3_cF112_225_fh_c_e:F-K-Tb +mp-1211691,K2TbF5,-5.8200872403,-3.7685173864,0.0,-0.0149495907,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Tb,32.0,A5B2C_oP32_62_3cd_d_c:F-K-Tb +mp-1211521,KTb2F7,-6.592154359,-4.216205967,0.0,-0.0046659517,GGA,C2/m,A7BC2_mC80_12_g5i4j_2i_hij:F-K-Tb,40.0,"Invalid WP multiplicities - A7BC2_mC80_12_g10i7j_3i_hij:F-K-Tb, expected K3Tb4F25 to be KTb2F7" +mp-623088,KTbF5,-5.6587786605,-3.4727558198,0.0,-0.0013674289,GGA,P-1,A5BC_aP42_2_15i_3i_3i:F-K-Tb,42.0,"Invalid WP multiplicities - A5BC_aP42_2_30i_5i_5i:F-K-Tb, expected KTbF6 to be KTbF5" +mp-1111285,K2RbGaI6,-2.697929875,-1.1909672661,0.1939575633,0.1939575633,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ga-I-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Ga-I-K-Rb +mp-1114181,KRb2GaI6,-2.739118007,-1.2451418856,0.1428580983,0.1428580983,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-I-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-I-K-Rb +mp-1113821,Rb3VF6,-5.391969499,-3.0425312898,0.0,-0.028986735,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-V,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-V +mp-556424,RbVF3,-6.19578712,-3.036011711,0.0,-0.08622465,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-Rb-V,5.0,A3BC_cP5_221_c_a_b:F-Rb-V +mp-1113932,Rb2VHgF6,-4.954081476,-2.6723286375,0.0965392155,0.0965392155,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-V +mp-1209267,Rb2VF6,-5.5780585056,-3.0765198367,0.0,-0.1311846317,GGA+U,Fm-3m,A6B2C_cF36_225_e_c_a:F-Rb-V,9.0,A6B2C_cF36_225_e_c_a:F-Rb-V +mp-752624,Fe3(OF2)2,-6.9531607339,-2.1810099647,0.0974027202,0.0974027202,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O +mp-755516,Fe3(OF2)2,-6.9543710511,-2.1822202819,0.096192403,0.096192403,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O +mp-755677,Fe3(OF2)2,-6.95101318,-2.1788624108,0.0995502741,0.0995502741,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O +mp-780519,Fe3(OF2)2,-6.9519403417,-2.1797895725,0.0986231125,0.0986231125,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Fe-O +mp-754591,Fe3(OF2)2,-6.9358789422000005,-2.1637281731,0.1146845119,0.1146845119,GGA+U,P-1,A4B3C2_aP18_2_4i_ae2i_2i:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_8i_ae3i_3i:F-Fe-O, expected Fe4O3F8 to be Fe3(OF2)2" +mp-779412,Fe3(OF2)2,-6.9489618161,-2.1768110469,0.101601638,0.101601638,GGA+U,P2_1,A4B3C2_mP18_4_4a_3a_2a:F-Fe-O,18.0,A4B3C2_mP18_4_8a_6a_4a:F-Fe-O +mp-754493,Fe3(OF2)2,-6.950425405,-2.1782746358,0.1001380491,0.1001380491,GGA+U,C2,A4B3C2_mC36_5_2a3c_ab2c_2c:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_5_2a4c_ab3c_2c:F-Fe-O, expected Fe4O2F5 to be Fe3(OF2)2" +mp-754278,Fe3(OF2)2,-6.97090295,-2.1987521808,0.0796605041,0.0796605041,GGA+U,C2,A4B3C2_mC36_5_4c_ab2c_2ac:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_5_7c_ab3c_2ac:F-Fe-O, expected Fe4O2F7 to be Fe3(OF2)2" +mp-1178334,Fe3(OF2)2,-6.9313881678,-2.1592373986,0.1191752864,0.1191752864,GGA+U,C2,A4B3C2_mC36_5_2a3c_ab2c_2c:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_5_2a5c_ab2c_2c:F-Fe-O, expected Fe3(OF3)2 to be Fe3(OF2)2" +mp-773751,Fe3(OF2)2,-6.9617438022,-2.1895930331,0.0888196519,0.0888196519,GGA+U,Pm,A4B3C2_mP18_6_2a2b2c_ab2c_2c:F-Fe-O,18.0,A4B3C2_mP18_6_2a2b2c_ab2c_2c:F-Fe-O +mp-754931,Fe3(OF2)2,-6.9680089094,-2.1958581403,0.0825545447,0.0825545447,GGA+U,C2/m,A4B3C2_mC36_12_gij_ad2i_2i:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_12_2gi3j_ac2i_4i:F-Fe-O, expected Fe3O4F9 to be Fe3(OF2)2" +mp-780097,Fe3(OF2)2,-6.9393095561,-2.1671587869,0.111253898,0.111253898,GGA+U,C2/m,A4B3C2_mC36_12_gij_ac2i_2i:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_12_gi2j_ad3i_4i:F-Fe-O, expected Fe2O2F3 to be Fe3(OF2)2" +mp-780146,Fe3(OF2)2,-6.3897329739,-1.6175822047,0.6608304802,0.6608304802,GGA+U,P2_1/c,A4B3C2_mP18_14_2e_ae_e:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mP18_14_7e_2a3e_e:F-Fe-O, expected Fe4OF7 to be Fe3(OF2)2" +mp-779018,Fe3(OF2)2,-6.9521149289,-2.1799641597,0.0984485252,0.0984485252,GGA+U,P2_1/c,A4B3C2_mP18_14_2e_ae_e:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_mP18_14_5e_2a2e_e:F-Fe-O, expected Fe3OF5 to be Fe3(OF2)2" +mp-756051,Fe3(OF2)2,-6.9245867011,-2.1524359319,0.125976753,0.125976753,GGA+U,Pmn2_1,A4B3C2_oP18_31_2ab_ab_b:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_oP18_31_2a2b_a2b_b:F-Fe-O, expected Fe5(OF3)2 to be Fe3(OF2)2" +mp-755274,Fe3(OF2)2,-6.9548069894,-2.1826562203,0.0957564647,0.0957564647,GGA+U,Cmmm,A4B3C2_oC36_65_2gq_acgh_gj:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_oC36_65_3g2q_ac2g2h_gj:F-Fe-O, expected Fe5O2F7 to be Fe3(OF2)2" +mp-778668,Fe3(OF2)2,-6.9495036978,-2.1773529286,0.1010597564,0.1010597564,GGA+U,P4_2/mnm,A4B3C2_tP18_136_j_ae_f:F-Fe-O,18.0,"Invalid WP multiplicities - A4B3C2_tP18_136_j_a2e_f:F-Fe-O, expected Fe5(OF2)2 to be Fe3(OF2)2" +mp-1199332,Np3OF12,-7.8162064731,-3.6457205128,0.0544779016,0.0544779016,GGA,Cm,A12B3C_mC64_8_4a10b_2a2b_2a:F-Np-O,32.0,A12B3C_mC64_8_4a10b_2a2b_2a:F-Np-O +mp-781507,Fe4O5F3,-7.2081620892,-1.8458316476,0.1011268353,0.1011268353,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-763023,Fe4O5F3,-7.1967950342,-1.8344645926,0.1124938903,0.1124938903,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-753003,Fe4O5F3,-6.6277945037,-1.2654640622,0.6814944207,0.6814944207,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-755885,Fe4O5F3,-7.1983110346,-1.835980593,0.1109778899,0.1109778899,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-758735,Fe4O5F3,-7.2347636158,-1.8724331743,0.0745253087,0.0745253087,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-764882,Fe4O5F3,-7.2088033546,-1.846472913,0.1004855699,0.1004855699,GGA+U,P1,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O,24.0,A3B4C5_aP24_1_6a_8a_10a:F-Fe-O +mp-780103,Fe4O5F3,-7.2319086675,-1.8695782259,0.077380257,0.077380257,GGA+U,P-1,A3B4C5_aP24_2_3i_bcdh2i_5i:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_aP24_2_5i_bcdh3i_10i:F-Fe-O, expected FeO2F to be Fe4O5F3" +mp-850886,Fe4O5F3,-7.0028891121,-1.6405586705,0.3063998124,0.3063998124,GGA+U,P-1,A3B4C5_aP24_2_3i_bc3i_5i:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_aP24_2_5i_bc5i_10i:F-Fe-O, expected Fe6(O2F)5 to be Fe4O5F3" +mp-781080,Fe4O5F3,-7.0741547062,-1.7118242647000002,0.2351342182,0.2351342182,GGA+U,P2_1,A3B4C5_mP24_4_3a_4a_5a:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mP24_4_6a_7a_10a:F-Fe-O, expected Fe7(O5F3)2 to be Fe4O5F3" +mp-759259,Fe4O5F3,-7.2278069975,-1.8654765559,0.081481927,0.081481927,GGA+U,Pc,A3B4C5_mP24_7_3a_4a_5a:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mP24_7_4a_8a_9a:F-Fe-O, expected Fe8O9F4 to be Fe4O5F3" +mp-753015,Fe4O5F3,-6.6024182187000005,-1.2400877772,0.7068707057,0.7068707057,GGA+U,Pc,A3B4C5_mP24_7_3a_4a_5a:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mP24_7_3a_7a_6a:F-Fe-O, expected Fe7(O2F)3 to be Fe4O5F3" +mp-850883,Fe4O5F3,-7.2080133983,-1.8456829568,0.1012755262,0.1012755262,GGA+U,Cm,A3B4C5_mC48_8_6a_4a2b_2a4b:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mC48_8_6a_4a4b_2a6b:F-Fe-O, expected Fe6O7F3 to be Fe4O5F3" +mp-752877,Fe4O5F3,-7.2065975083,-1.8442670668,0.1026914162,0.1026914162,GGA+U,Cm,A3B4C5_mC24_8_3a_2ab_a2b:F-Fe-O,12.0,A3B4C5_mC24_8_3a_2ab_a2b:F-Fe-O +mp-763021,Fe4O5F3,-6.6541849612,-1.2918545197,0.6551039632,0.6551039632,GGA+U,P2_1/m,A3B4C5_mP24_11_ef_ac2e_3ef:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mP24_11_e2f_ad3e_6e2f:F-Fe-O, expected FeO2F to be Fe4O5F3" +mp-781606,Fe4O5F3,-6.6798185746000005,-1.317488133,0.6294703499000001,0.6294703499000001,GGA+U,C2/m,A3B4C5_mC48_12_3i_ad3i_ghij:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mC48_12_6i_ac5i_2g2hi2j:F-Fe-O, expected Fe2O3F2 to be Fe4O5F3" +mp-850880,Fe4O5F3,-6.5376819821000005,-1.1753515405,0.7716069424,0.7716069424,GGA+U,C2/m,A3B4C5_mC48_12_ij_ef2i_3ij:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mC48_12_2ij_ef2i_6ij:F-Fe-O, expected FeO2F to be Fe4O5F3" +mp-780121,Fe4O5F3,-6.5847581917,-1.2224277501,0.7245307328,0.7245307328,GGA+U,C2/m,A3B4C5_mC48_12_ij_eg2i_3ij:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_mC48_12_i2j_2eh2i_6i2j:F-Fe-O, expected FeO2F to be Fe4O5F3" +mp-850878,Fe4O5F3,-7.21096585,-1.8486354084,0.0983230745,0.0983230745,GGA+U,Amm2,A3B4C5_oC24_38_a2b_abc_af:F-Fe-O,12.0,A3B4C5_oC24_38_a2b_abc_af:F-Fe-O +mp-763353,Fe4O5F3,-7.2079513367,-1.8456208951,0.1013375878,0.1013375878,GGA+U,Imm2,A3B4C5_oI24_44_a2b_abc_ae:F-Fe-O,12.0,A3B4C5_oI24_44_a2b_abc_ae:F-Fe-O +mp-1178295,Fe4O5F3,-7.2011258021,-1.8387953605,0.1081631224,0.1081631224,GGA+U,Pmmn,A3B4C5_oP24_59_a2b_abe_ag:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_oP24_59_2a4b_2ab2e_2a2g:F-Fe-O, expected Fe7(O5F3)2 to be Fe4O5F3" +mp-753057,Fe4O5F3,-7.2116602237,-1.8493297822,0.0976287007,0.0976287007,GGA+U,Cmcm,A3B4C5_oC48_63_cf_acf_ch:F-Fe-O,24.0,"Invalid WP multiplicities - A3B4C5_oC48_63_2c2f_acf_2ch:F-Fe-O, expected Fe2(OF)3 to be Fe4O5F3" +mp-1178377,Fe10OF19,-6.7146218527,-2.5157884795000003,0.0293068307,0.0293068307,GGA+U,P1,A19B10C_aP30_1_19a_10a_a:F-Fe-O,30.0,A19B10C_aP30_1_19a_10a_a:F-Fe-O +mp-1178379,Fe10OF19,-6.7184111987,-2.5195778255,0.0255174847,0.0255174847,GGA+U,P1,A19B10C_aP30_1_19a_10a_a:F-Fe-O,30.0,A19B10C_aP30_1_19a_10a_a:F-Fe-O +mp-755787,Fe10OF19,-6.6798729560000005,-2.4810395829000003,0.0640557274,0.0640557274,GGA+U,P1,A19B10C_aP30_1_19a_10a_a:F-Fe-O,30.0,A19B10C_aP30_1_19a_10a_a:F-Fe-O +mp-775287,Fe10OF19,-6.724202652,-2.5253692789,0.0197260314,0.0197260314,GGA+U,Amm2,A19B10C_oC60_38_a4d5e_ab2d2e_a:F-Fe-O,30.0,"Invalid WP multiplicities - A19B10C_oC60_38_a8d9e_ab3d4e_a:F-Fe-O, expected Fe16OF35 to be Fe10OF19" +mp-887354,Fe10OF19,-6.7156876943,-2.5168543212,0.028240989,0.028240989,GGA+U,Amm2,A19B10C_oC60_38_a4ce2f_ab4c_a:F-Fe-O,30.0,"Invalid WP multiplicities - A19B10C_oC60_38_a6c2e6f_ab7c_a:F-Fe-O, expected Fe16OF41 to be Fe10OF19" +mp-887367,Fe10OF19,-6.7243266257,-2.5254932525,0.0196020577,0.0196020577,GGA+U,Amm2,A19B10C_oC60_38_9a5e_5a5b_a:F-Fe-O,30.0,"Invalid WP multiplicities - A19B10C_oC60_38_9a7e_5a5b_a:F-Fe-O, expected Fe10OF23 to be Fe10OF19" +mp-778791,Fe4OF7,-6.7650968938,-2.4145030334,0.0599998172,0.0599998172,GGA+U,P1,A7B4C_aP24_1_14a_8a_2a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_9_14a_6a_a:F-Fe-O, expected Fe6OF14 to be Fe4OF7" +mp-774048,Fe4OF7,-6.7700290854,-2.4194352251,0.0550676255,0.0550676255,GGA+U,P1,A7B4C_aP24_1_14a_8a_2a:F-Fe-O,24.0,A7B4C_aP24_1_14a_8a_2a:F-Fe-O +mp-756133,Fe4OF7,-6.7607876088,-2.4101937484,0.0643091022,0.0643091022,GGA+U,P1,A7B4C_aP24_1_14a_8a_2a:F-Fe-O,24.0,A7B4C_aP24_1_14a_8a_2a:F-Fe-O +mp-1178290,Fe4OF7,-6.7694014867,-2.4188076264,0.0556952243,0.0556952243,GGA+U,P1,A7B4C_aP24_1_14a_8a_2a:F-Fe-O,24.0,A7B4C_aP24_1_14a_8a_2a:F-Fe-O +mp-763068,Fe4OF7,-6.7663361571,-2.4157422968,0.0587605538,0.0587605538,GGA+U,P2_1,A7B4C_mP24_4_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_4_14a_8a_a:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-764745,Fe4OF7,-6.7676498971,-2.4170560368,0.0574468138,0.0574468138,GGA+U,P2_1,A7B4C_mP24_4_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_4_14a_8a_a:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-763484,Fe4OF7,-6.7682838092,-2.4176899489,0.0568129018,0.0568129018,GGA+U,P2_1,A7B4C_mP24_4_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_4_14a_8a_a:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-755914,Fe4OF7,-6.76679212,-2.4161982597,0.0583045909,0.0583045909,GGA+U,P2_1,A7B4C_mP24_4_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_4_14a_8a_a:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-881173,Fe4OF7,-6.7652811371,-2.4146872768,0.0598155738,0.0598155738,GGA+U,P2_1,A7B4C_mP24_4_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_4_14a_8a_a:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-763020,Fe4OF7,-6.7709759288,-2.4203820684,0.0541207822,0.0541207822,GGA+U,Pc,A7B4C_mP24_7_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_7_13a_8a_a:F-Fe-O, expected Fe8OF13 to be Fe4OF7" +mp-755765,Fe4OF7,-6.7553594154,-2.4047655551,0.0697372955,0.0697372955,GGA+U,Pc,A7B4C_mP24_7_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mP24_7_14a_7a_a:F-Fe-O, expected Fe7OF14 to be Fe4OF7" +mp-763358,Fe4OF7,-6.7602257908,-2.4096319305,0.0648709201,0.0648709201,GGA+U,Cm,A7B4C_mC24_8_3a2b_2ab_a:F-Fe-O,12.0,A7B4C_mC24_8_3a2b_2ab_a:F-Fe-O +mp-1178280,Fe4OF7,-6.7627858054,-2.4121919451,0.0623109055,0.0623109055,GGA+U,Cm,A7B4C_mC48_8_6a4b_4a2b_2a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_8_6a6b_4a3b_2a:F-Fe-O, expected Fe5OF9 to be Fe4OF7" +mp-756165,Fe4OF7,-6.7191070962,-2.3685132359,0.1059896147,0.1059896147,GGA+U,Cm,A7B4C_mC48_8_6a4b_4a2b_2a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_8_6a6b_4a3b_2a:F-Fe-O, expected Fe5OF9 to be Fe4OF7" +mp-756404,Fe4OF7,-6.7211259904,-2.3705321301,0.1039707205,0.1039707205,GGA+U,Cm,A7B4C_mC48_8_6a4b_4a2b_2a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_8_6a6b_4a4b_2a:F-Fe-O, expected Fe6OF9 to be Fe4OF7" +mp-755170,Fe4OF7,-6.7656824925,-2.4150886322,0.0594142184,0.0594142184,GGA+U,Cc,A7B4C_mC48_9_7a_4a_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_9_12a_6a_a:F-Fe-O, expected Fe6OF12 to be Fe4OF7" +mp-755879,Fe4OF7,-6.7468987975,-2.3963049372,0.0781979134,0.0781979134,GGA+U,C2/m,A7B4C_mC48_12_gh3ij_ad3i_i:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_12_2g2h6i3j_ac4i_i:F-Fe-O, expected Fe5OF16 to be Fe4OF7" +mp-780740,Fe4OF7,-6.7557114137,-2.4051175534,0.0693852972,0.0693852972,GGA+U,C2/m,A7B4C_mC48_12_gh3ij_ad3i_i:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_12_2gh6i3j_ac4i_i:F-Fe-O, expected Fe5OF15 to be Fe4OF7" +mp-756283,Fe4OF7,-6.7449500892,-2.3943562289,0.0801466218,0.0801466218,GGA+U,C2/c,A7B4C_mC48_15_e3f_cef_e:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_mC48_15_2e11f_a2e2f_e:F-Fe-O, expected Fe7OF24 to be Fe4OF7" +mp-753033,Fe4OF7,-6.7643377154,-2.4137438551,0.0607589955,0.0607589955,GGA+U,Cmc2_1,A7B4C_oC48_36_3a2b_2ab_a:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_oC48_36_4a4b_4ab_a:F-Fe-O, expected Fe6OF12 to be Fe4OF7" +mp-757814,Fe4OF7,-6.7447072575,-2.3941133972,0.0803894534,0.0803894534,GGA+U,Amm2,A7B4C_oC24_38_a2bf_abc_a:F-Fe-O,12.0,A7B4C_oC24_38_a2bf_abc_a:F-Fe-O +mp-756247,Fe4OF7,-6.7391504513000005,-2.3885565909,0.0859462597,0.0859462597,GGA+U,Amm2,A7B4C_oC48_38_3a3b2f_2a2bde_ab:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_oC48_38_3a3b4f_2a2bde_ab:F-Fe-O, expected Fe4OF11 to be Fe4OF7" +mp-764668,Fe4OF7,-6.7443056642,-2.3937118039,0.0807910468,0.0807910468,GGA+U,Imm2,A7B4C_oI24_44_a2be_abc_a:F-Fe-O,12.0,A7B4C_oI24_44_a2be_abc_a:F-Fe-O +mp-753042,Fe4OF7,-6.7446162996,-2.3940224393,0.0804804113,0.0804804113,GGA+U,Cmcm,A7B4C_oC48_63_cfh_acf_c:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_oC48_63_2c2f2h_2a2cf_c:F-Fe-O, expected Fe6OF14 to be Fe4OF7" +mp-756114,Fe4OF7,-6.7409539242,-2.3903600639,0.0841427868,0.0841427868,GGA+U,Cmcm,A7B4C_oC48_63_3ch_2cg_c:F-Fe-O,24.0,"Invalid WP multiplicities - A7B4C_oC48_63_6c2h_4c2g_c:F-Fe-O, expected Fe8OF14 to be Fe4OF7" +mp-1178312,Fe2OF3,-6.8671156813,-2.2635876757,0.0932610755,0.0932610755,GGA+U,P1,A3B2C_aP30_1_15a_10a_5a:F-Fe-O,30.0,A3B2C_aP30_1_15a_10a_5a:F-Fe-O +mp-1178447,Fe2OF3,-6.8443281608,-2.2408001552,0.116048596,0.116048596,GGA+U,P-1,A3B2C_aP24_2_6i_ac3i_2i:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_aP24_2_12i_ac6i_4i:F-Fe-O, expected Fe7(OF3)4 to be Fe2OF3" +mp-753097,Fe2OF3,-6.8883913539,-2.2848633483,0.071985403,0.071985403,GGA+U,C2,A3B2C_mC36_5_a4c_ab2c_ac:F-Fe-O,18.0,"Invalid WP multiplicities - A3B2C_mC36_5_a7c_ab3c_ac:F-Fe-O, expected Fe8(OF5)3 to be Fe2OF3" +mp-780099,Fe2OF3,-6.8901306433,-2.2866026377,0.0702461135,0.0702461135,GGA+U,C2,A3B2C_mC48_5_ab5c_ab3c_abc:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_5_ab10c_ab5c_abc:F-Fe-O, expected Fe6O2F11 to be Fe2OF3" +mp-1178468,Fe2OF3,-6.8951214833000005,-2.2915934777,0.0652552735,0.0652552735,GGA+U,Pm,A3B2C_mP30_6_6a9b_5a5b_4ab:F-Fe-O,30.0,A3B2C_mP30_6_6a9b_5a5b_4ab:F-Fe-O +mp-1280834,Fe2OF3,-6.8993764875,-2.2958484819,0.0610002694,0.0610002694,GGA+U,Cm,A3B2C_mC24_8_2a2b_4a_2a:F-Fe-O,12.0,"Invalid WP multiplicities - A3B2C_mC24_8_2a4b_4a_2a:F-Fe-O, expected Fe2OF5 to be Fe2OF3" +mp-850875,Fe2OF3,-6.8718220892,-2.2682940835,0.0885546677,0.0885546677,GGA+U,C2/m,A3B2C_mC48_12_2i2j_abij_2i:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_12_3i7j_ab2i2j_2i:F-Fe-O, expected Fe7O2F17 to be Fe2OF3" +mp-780183,Fe2OF3,-6.8672054017,-2.263677396,0.0931713552,0.0931713552,GGA+U,C2/m,A3B2C_mC48_12_2i2j_abij_2i:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_12_4i6j_ab2ij_4i:F-Fe-O, expected Fe5(OF4)4 to be Fe2OF3" +mp-752470,Fe2OF3,-6.8773483296,-2.273820324,0.0830284273,0.0830284273,GGA+U,P2_1/c,A3B2C_mP24_14_3e_ade_e:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_mP24_14_11e_2a2b2e_e:F-Fe-O, expected Fe4OF11 to be Fe2OF3" +mp-752456,Fe2OF3,-6.8884101158,-2.2848821102,0.071966641,0.071966641,GGA+U,Pmn2_1,A3B2C_oP12_31_3a_2a_a:F-Fe-O,12.0,"Invalid WP multiplicities - A3B2C_oP12_31_6a_4a_a:F-Fe-O, expected Fe4OF6 to be Fe2OF3" +mp-752495,Fe2OF3,-6.8892074913,-2.2856794856,0.0711692656,0.0711692656,GGA+U,Amm2,A3B2C_oC48_38_abc2f_ab3c_abc:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_38_ab2c5f_ab5c_abc:F-Fe-O, expected Fe6O2F13 to be Fe2OF3" +mp-758397,Fe2OF3,-6.92641574,-2.3228877344,0.0339610169,0.0339610169,GGA+U,Amm2,A3B2C_oC12_38_ae_ab_a:F-Fe-O,12.0,"Invalid WP multiplicities - A3B2C_oC12_38_ae_2a2b_a:F-Fe-O, expected Fe4OF3 to be Fe2OF3" +mp-850409,Fe2OF3,-6.8896811143,-2.2861531087,0.0706956425,0.0706956425,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a3c2e8f_ab6c_a3c:F-Fe-O, expected Fe14O7F43 to be Fe2OF3" +mp-780129,Fe2OF3,-6.8933834377,-2.289855432,0.0669933192,0.0669933192,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a3c2e6f_ab7c_a3c:F-Fe-O, expected Fe16(OF5)7 to be Fe2OF3" +mp-780128,Fe2OF3,-6.8851028317,-2.281574826,0.0752739252,0.0752739252,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a2c2e7f_ab7c_a2c:F-Fe-O, expected Fe16O5F37 to be Fe2OF3" +mp-752493,Fe2OF3,-6.8817672572,-2.2782392516,0.0786094996,0.0786094996,GGA+U,Amm2,A3B2C_oC36_38_acef_ab2c_ac:F-Fe-O,18.0,"Invalid WP multiplicities - A3B2C_oC36_38_ac2e4f_ab2c_ac:F-Fe-O, expected Fe6O3F23 to be Fe2OF3" +mp-777541,Fe2OF3,-6.8689873337,-2.2654593281,0.0913894231,0.0913894231,GGA+U,Pnma,A3B2C_oP24_62_cd_ac_c:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_oP24_62_3c2d_2a2c_c:F-Fe-O, expected Fe4OF7 to be Fe2OF3" +mp-763013,Fe2OF3,-6.8920541675,-2.2885261619,0.0683225894,0.0683225894,GGA+U,Cmcm,A3B2C_oC48_63_efg_acf_f:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_63_4ef3g_acf_f:F-Fe-O, expected Fe2OF8 to be Fe2OF3" +mp-779451,Fe2OF3,-6.9059296183,-2.3024016127,0.0544471385,0.0544471385,GGA+U,Cmcm,A3B2C_oC24_63_ce_ac_c:F-Fe-O,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_c2e_ac_c:F-Fe-O, expected Fe2OF5 to be Fe2OF3" +mp-756209,Fe2OF3,-6.8718593304,-2.2683313248,0.0885174264,0.0885174264,GGA+U,Cmmm,A3B2C_oC48_65_ghmn_abehj_gh:F-Fe-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_65_g2h2m2n_abehj_gh:F-Fe-O, expected Fe4O2F11 to be Fe2OF3" +mp-753138,Fe2OF3,-6.9103287458,-2.3068007402,0.050048011,0.050048011,GGA+U,Imma,A3B2C_oI24_74_ef_ae_e:F-Fe-O,12.0,"Invalid WP multiplicities - A3B2C_oI24_74_ef_2a2e_e:F-Fe-O, expected Fe4OF3 to be Fe2OF3" +mp-1211370,NpFe(OF2)3,-6.5600521459,-2.221257525,0.4561163748,0.4561163748,GGA+U,C2/c,A6BCD3_mC44_15_3f_c_e_ef:F-Fe-Np-O,22.0,"Invalid WP multiplicities - A6BCD3_mC44_15_6f_a_e_2e2f:F-Fe-Np-O, expected NpFe(OF2)6 to be NpFe(OF2)3" +mp-1188385,Fe2O2F5,-5.7376547744,-1.6942309211,0.4184577253,0.4184577253,GGA+U,Imma,A5B2C2_oI36_74_ej_ac_h:F-Fe-O,18.0,A5B2C2_oI36_74_ej_ac_h:F-Fe-O +mp-1190371,Fe2O2F5,-5.9948132483,-1.951389395,0.1612992514,0.1612992514,GGA+U,Imma,A5B2C2_oI36_74_ej_ac_h:F-Fe-O,18.0,A5B2C2_oI36_74_ej_ac_h:F-Fe-O +mp-755836,Fe6OF11,-6.7407496122,-2.4744671337,0.0392537501,0.0392537501,GGA+U,P1,A11B6C_aP18_1_11a_6a_a:F-Fe-O,18.0,A11B6C_aP18_1_11a_6a_a:F-Fe-O +mp-755114,Fe6OF11,-6.7261085694,-2.4598260909,0.0538947928,0.0538947928,GGA+U,C2,A11B6C_mC36_5_a5c_ab2c_a:F-Fe-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_5_a8c_ab3c_a:F-Fe-O, expected Fe8OF17 to be Fe6OF11" +mp-754847,Fe6OF11,-6.7409743506,-2.474691872,0.0390290117,0.0390290117,GGA+U,Cm,A11B6C_mC36_8_5a3b_6a_a:F-Fe-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_8_5a5b_6a_a:F-Fe-O, expected Fe6OF15 to be Fe6OF11" +mp-756379,Fe6OF11,-6.7505683383,-2.4842858598,0.029435024,0.029435024,GGA+U,Amm2,A11B6C_oC36_38_a2d3e_abde_a:F-Fe-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a4d6e_ab2de_a:F-Fe-O, expected Fe8OF21 to be Fe6OF11" +mp-779354,Fe6OF11,-6.73695999,-2.4706775115,0.0430433723,0.0430433723,GGA+U,Amm2,A11B6C_oC36_38_5a3e_3a3b_a:F-Fe-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_5a6e_3a3b_a:F-Fe-O, expected Fe6OF17 to be Fe6OF11" +mp-755039,Fe6OF11,-6.7255504422,-2.4592679637,0.0544529201,0.0544529201,GGA+U,Amm2,A11B6C_oC36_38_a2cef_ab2c_a:F-Fe-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a2c2e2f_ab2c_a:F-Fe-O, expected Fe6OF17 to be Fe6OF11" +mp-754906,Fe2O3F,-7.2770958587,-1.6618312718,0.1105451416,0.1105451416,GGA+U,P1,AB2C3_aP30_1_5a_10a_15a:F-Fe-O,30.0,AB2C3_aP30_1_5a_10a_15a:F-Fe-O +mp-755917,Fe2O3F,-7.256405729,-1.6411411421,0.1312352713,0.1312352713,GGA+U,P1,AB2C3_aP30_1_5a_10a_15a:F-Fe-O,30.0,AB2C3_aP30_1_5a_10a_15a:F-Fe-O +mp-754814,Fe2O3F,-7.2746277477,-1.6593631608,0.1130132526,0.1130132526,GGA+U,P1,AB2C3_aP30_1_5a_10a_15a:F-Fe-O,30.0,AB2C3_aP30_1_5a_10a_15a:F-Fe-O +mp-752486,Fe2O3F,-7.281911375,-1.6666467881,0.1057296253,0.1057296253,GGA+U,C2,AB2C3_mC36_5_ac_ab2c_a4c:F-Fe-O,18.0,"Invalid WP multiplicities - AB2C3_mC36_5_ac_ab3c_a7c:F-Fe-O, expected Fe8(O5F)3 to be Fe2O3F" +mp-754938,Fe2O3F,-7.2864725337,-1.6712079468,0.1011684666,0.1011684666,GGA+U,Pm,AB2C3_mP30_6_4ab_5a5b_6a9b:F-Fe-O,30.0,AB2C3_mP30_6_4ab_5a5b_6a9b:F-Fe-O +mp-752653,Fe2O3F,-7.2733358979,-1.658071311,0.1143051024,0.1143051024,GGA+U,Pm,AB2C3_mP24_6_3ab_4a4b_5a7b:F-Fe-O,24.0,AB2C3_mP24_6_3ab_4a4b_5a7b:F-Fe-O +mp-756396,Fe2O3F,-7.2705085604,-1.6552439735000002,0.1171324399,0.1171324399,GGA+U,C2/m,AB2C3_mC48_12_2i_abij_2i2j:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_3i_ab2ij_4i5j:F-Fe-O, expected Fe5O14F3 to be Fe2O3F" +mp-777800,Fe2O3F,-7.2573383833,-1.6420737965,0.130302617,0.130302617,GGA+U,C2/m,AB2C3_mC24_12_i_abf_ij:F-Fe-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_abe_2ij:F-Fe-O, expected Fe2O4F to be Fe2O3F" +mp-755513,Fe2O3F,-7.2760023279,-1.6607377410000002,0.1116386724,0.1116386724,GGA+U,C2/m,AB2C3_mC48_12_2i_abij_2i2j:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_4i_ab2i2j_4i6j:F-Fe-O, expected Fe7(O4F)4 to be Fe2O3F" +mp-755098,Fe2O3F,-7.2514907471,-1.6362261602,0.1361502532,0.1361502532,GGA+U,P2_1/c,AB2C3_mP24_14_e_ade_3e:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_2a2b3e_11e:F-Fe-O, expected Fe5O11F to be Fe2O3F" +mp-754518,Fe2O3F,-7.2503132833,-1.6350486965000002,0.137327717,0.137327717,GGA+U,Pmc2_1,AB2C3_oP12_26_a_ab_a2b:F-Fe-O,12.0,"Invalid WP multiplicities - AB2C3_oP12_26_a_ab_a4b:F-Fe-O, expected Fe2O5F to be Fe2O3F" +mp-753167,Fe2O3F,-7.273951335,-1.6586867481,0.1136896653,0.1136896653,GGA+U,Pmn2_1,AB2C3_oP12_31_a_2a_3a:F-Fe-O,12.0,"Invalid WP multiplicities - AB2C3_oP12_31_a_3a_6a:F-Fe-O, expected Fe3O6F to be Fe2O3F" +mp-752739,Fe2O3F,-7.2805485756,-1.6652839887000002,0.1070924247,0.1070924247,GGA+U,Amm2,AB2C3_oC36_38_ac_ab2c_acef:F-Fe-O,18.0,"Invalid WP multiplicities - AB2C3_oC36_38_ac_ab3c_ac2e2f:F-Fe-O, expected Fe8(O5F)3 to be Fe2O3F" +mp-752594,Fe2O3F,-7.2795121817,-1.6642475948,0.1081288186,0.1081288186,GGA+U,Amm2,AB2C3_oC48_38_abc_ab3c_abc2f:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_38_ab2c_ab3c_abc5f:F-Fe-O, expected Fe4(O4F)3 to be Fe2O3F" +mp-754786,Fe2O3F,-7.2807929123,-1.6655283255,0.106848088,0.106848088,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Fe-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a2c_ab7c_a3c2e6f:F-Fe-O, expected Fe16(O7F)5 to be Fe2O3F" +mp-758946,Fe2O3F,-7.2755441267,-1.6602795398,0.1120968736,0.1120968736,GGA+U,Amm2,AB2C3_oC12_38_a_ab_ae:F-Fe-O,6.0,AB2C3_oC12_38_a_ab_ae:F-Fe-O +mp-851089,Fe2O3F,-7.2822217177,-1.6669571308000002,0.1054192826,0.1054192826,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Fe-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a2c_ab5c_a2c2e6f:F-Fe-O, expected Fe12O33F5 to be Fe2O3F" +mp-754622,Fe2O3F,-7.2797715763,-1.6645069895,0.107869424,0.107869424,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Fe-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a3c_ab7c_a3c2e6f:F-Fe-O, expected Fe16(O5F)7 to be Fe2O3F" +mp-752687,Fe2O3F,-7.2883873583,-1.6731227715,0.099253642,0.099253642,GGA+U,Cmcm,AB2C3_oC24_63_c_ac_ce:F-Fe-O,12.0,"Invalid WP multiplicities - AB2C3_oC24_63_c_ac_2ce:F-Fe-O, expected Fe2O4F to be Fe2O3F" +mp-763017,Fe2O3F,-6.4444147104,-0.8291501235000001,0.9432262899,0.9432262899,GGA+U,Cmcm,AB2C3_oC48_63_f_acf_efg:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_63_f_2a2cf_3e2f4g:F-Fe-O, expected Fe3O9F to be Fe2O3F" +mp-756779,Fe2O3F,-6.7435289337,-1.1282643469,0.6441120665,0.6441120665,GGA+U,Cmcm,AB2C3_oC48_63_2c_2cg_2ch:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_63_4c_3c2g_4c2h:F-Fe-O, expected Fe7(O3F)4 to be Fe2O3F" +mp-754498,Fe2O3F,-7.28513658,-1.6698719931,0.1025044203,0.1025044203,GGA+U,Cmce,AB2C3_oC48_64_f_ef_2ef:F-Fe-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_64_f_e2f_4e2f:F-Fe-O, expected Fe3O6F to be Fe2O3F" +mp-758871,Fe2O3F,-7.2897562808,-1.674491694,0.0978847195,0.0978847195,GGA+U,Imma,AB2C3_oI24_74_e_ae_ef:F-Fe-O,12.0,"Invalid WP multiplicities - AB2C3_oI24_74_e_ae_2ef:F-Fe-O, expected Fe2O4F to be Fe2O3F" +mp-758879,FeO2F,-6.3266461662,-1.2579267662,0.3332286481,0.3332286481,GGA+U,C2/c,ABC2_mC16_15_e_c_f:F-Fe-O,8.0,ABC2_mC16_15_e_a_f:F-Fe-O +mp-1568829,Fe4OF6,-6.8974003114,-2.3250687335,0.0652697773,0.0652697773,GGA+U,P1,A6B4C_aP22_1_12a_8a_2a:F-Fe-O,22.0,A6B4C_aP22_1_12a_8a_2a:F-Fe-O +mp-1652491,Fe4OF6,-6.9140915841,-2.3417600062,0.0485785045,0.0485785045,GGA+U,P-1,A6B4C_aP22_2_6i_4i_i:F-Fe-O,22.0,A6B4C_aP22_1_12a_8a_2a:F-Fe-O +mp-1569012,Fe4OF6,-6.8877852573,-2.3154536794,0.0748848314,0.0748848314,GGA+U,Pm,A6B4C_mP22_6_2a2b4c_2a2b2c_ab:F-Fe-O,22.0,A6B4C_aP22_1_12a_8a_2a:F-Fe-O +mp-1638869,Fe4OF6,-6.9142177295,-2.3418861517,0.0484523591,0.0484523591,GGA+U,C2/c,A6B4C_mC44_15_2e2f_2f_e:F-Fe-O,22.0,"Invalid WP multiplicities - A6B4C_mC44_15_4e4f_5f_e:F-Fe-O, expected Fe10OF12 to be Fe4OF6" +mp-753762,Fe4OF6,-6.8932107732,-2.3208791953,0.0694593155,0.0694593155,GGA+U,P4_2/nmc,A6B4C_tP22_137_df_g_a:F-Fe-O,22.0,A6B4C_tP22_137_df_g_a:F-Fe-O +mp-1178254,Fe7O7F,-7.9152427633,-1.5266795356,0.1046894957,0.1046894957,GGA+U,Amm2,AB7C7_oC30_38_b_a3c_a3c:F-Fe-O,15.0,"Invalid WP multiplicities - AB7C7_oC30_38_b_a5c_a3c:F-Fe-O, expected Fe11O7F to be Fe7O7F" +mp-780801,Fe10O9F11,-7.0793174803,-2.0710948422,0.09750735,0.09750735,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-780760,Fe10O9F11,-7.095783408,-2.0875607699,0.0810414223,0.0810414223,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-780773,Fe10O9F11,-7.0862600193,-2.0780373812,0.090564811,0.090564811,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-849307,Fe10O9F11,-7.0872717293,-2.0790490912,0.089553101,0.089553101,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-849381,Fe10O9F11,-7.0930655737,-2.0848429355,0.0837592567,0.0837592567,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-849483,Fe10O9F11,-7.093554273,-2.0853316349,0.0832705573,0.0832705573,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-849484,Fe10O9F11,-7.07314172,-2.0649190819,0.1036831103,0.1036831103,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-754536,Fe10O9F11,-7.074964398,-2.0667417599,0.1018604323,0.1018604323,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-1178342,Fe10O9F11,-7.080607822,-2.0723851839,0.0962170083,0.0962170083,GGA+U,P1,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O,30.0,A11B10C9_aP30_1_11a_10a_9a:F-Fe-O +mp-849379,Fe10O9F11,-7.0656989083,-2.0574762702,0.111125922,0.111125922,GGA+U,C2,A11B10C9_mC60_5_a5c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mC60_5_a7c_ab7c_a8c:F-Fe-O, expected Fe16O17F15 to be Fe10O9F11" +mp-754859,Fe10O9F11,-7.0934016063,-2.0851789682,0.083423224,0.083423224,GGA+U,C2,A11B10C9_mC60_5_a5c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mC60_5_a8c_ab6c_a8c:F-Fe-O, expected Fe14(OF)17 to be Fe10O9F11" +mp-780766,Fe10O9F11,-7.0721346107,-2.0639119725,0.1046902197,0.1046902197,GGA+U,C2,A11B10C9_mC60_5_a5c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mC60_5_a8c_ab6c_a8c:F-Fe-O, expected Fe14(OF)17 to be Fe10O9F11" +mp-849296,Fe10O9F11,-7.077165518,-2.0689428799,0.0996593123,0.0996593123,GGA+U,C2,A11B10C9_mC60_5_a5c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mC60_5_a7c_ab5c_a6c:F-Fe-O, expected Fe12O13F15 to be Fe10O9F11" +mp-754413,Fe10O9F11,-7.072367556,-2.0641449179,0.1044572743,0.1044572743,GGA+U,Pm,A11B10C9_mP30_6_a2b4c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a2b6c_ab7c_a5c:F-Fe-O, expected Fe16O11F15 to be Fe10O9F11" +mp-849419,Fe10O9F11,-7.071964001,-2.0637413629,0.1048608293,0.1048608293,GGA+U,Pm,A11B10C9_mP30_6_a2b4c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a2b5c_ab7c_a4c:F-Fe-O, expected Fe16O9F13 to be Fe10O9F11" +mp-754865,Fe10O9F11,-7.0661902697,-2.0579676315,0.1106345607,0.1106345607,GGA+U,Pm,A11B10C9_mP30_6_a5c_ab4c_a2b3c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a7c_ab7c_a2b5c:F-Fe-O, expected Fe16O13F15 to be Fe10O9F11" +mp-849306,Fe10O9F11,-7.0731026373,-2.0648799992,0.103722193,0.103722193,GGA+U,Pm,A11B10C9_mP30_6_a5c_ab4c_a2b3c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a8c_ab6c_a2b5c:F-Fe-O, expected Fe14O13F17 to be Fe10O9F11" +mp-849314,Fe10O9F11,-7.079383916,-2.0711612779,0.0974409143,0.0974409143,GGA+U,Pm,A11B10C9_mP30_6_a2b4c_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a2b6c_ab7c_a4c:F-Fe-O, expected Fe16(O3F5)3 to be Fe10O9F11" +mp-849300,Fe10O9F11,-7.0945471147,-2.0863244765,0.0822777157,0.0822777157,GGA+U,Pm,A11B10C9_mP30_6_a5c_ab4c_a2b3c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_mP30_6_a7c_ab7c_a2b5c:F-Fe-O, expected Fe16O13F15 to be Fe10O9F11" +mp-849275,Fe10O9F11,-7.0728681923,-2.0646455542,0.103956638,0.103956638,GGA+U,Amm2,A11B10C9_oC60_38_ae2f_ab4c_a4c:F-Fe-O,30.0,"Invalid WP multiplicities - A11B10C9_oC60_38_a2e5f_ab5c_a6c:F-Fe-O, expected Fe12O13F25 to be Fe10O9F11" +mp-754305,Fe6O5F7,-7.0395094739,-2.0987359412,0.1012406775,0.1012406775,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-755469,Fe6O5F7,-7.0339957744,-2.0932222417,0.106754377,0.106754377,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-756033,Fe6O5F7,-7.0359138556,-2.0951403228,0.1048362959,0.1048362959,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-754477,Fe6O5F7,-7.0291559794,-2.0883824467,0.111594172,0.111594172,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-777841,Fe6O5F7,-7.0357485389,-2.0949750062,0.1050016125,0.1050016125,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-777933,Fe6O5F7,-7.0462547967,-2.105481264,0.0944953548,0.0944953548,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-777845,Fe6O5F7,-7.0311788322,-2.0904052995,0.1095713192,0.1095713192,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-777824,Fe6O5F7,-7.0403027939,-2.0995292612,0.1004473575,0.1004473575,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-756387,Fe6O5F7,-7.0292554261,-2.0884818934,0.1114947253,0.1114947253,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-755966,Fe6O5F7,-7.0366432317,-2.095869699,0.1041069198,0.1041069198,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-1178253,Fe6O5F7,-7.0295211522,-2.0887476195,0.1112289992,0.1112289992,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Fe-O +mp-755187,Fe6O5F7,-7.0269137311,-2.0861401984,0.1138364203,0.1138364203,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Fe-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a4c_ab3c_a3c:F-Fe-O, expected Fe8O7F9 to be Fe6O5F7" +mp-756000,Fe6O5F7,-7.0448566872,-2.1040831545,0.0958934642,0.0958934642,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Fe-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a5c_ab3c_a3c:F-Fe-O, expected Fe8O7F11 to be Fe6O5F7" +mp-1178314,Fe6O5F7,-7.0542998722,-2.1135263395,0.0864502792,0.0864502792,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Fe-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a3c_ab2c_a4c:F-Fe-O, expected Fe6O9F7 to be Fe6O5F7" +mp-755761,Fe6O5F7,-7.0354246433,-2.0946511106,0.1053255081,0.1053255081,GGA+U,Pm,A7B6C5_mP18_6_a3c_ab2c_a2bc:F-Fe-O,18.0,A7B6C5_mP18_6_a3c_ab2c_a2bc:F-Fe-O +mp-777847,Fe6O5F7,-7.0383658844,-2.0975923517,0.102384267,0.102384267,GGA+U,Cm,A7B6C5_mC36_8_3a2b_6a_3ab:F-Fe-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_8_3a3b_6a_3a2b:F-Fe-O, expected Fe6O7F9 to be Fe6O5F7" +mp-755097,Fe6O5F7,-7.04542546,-2.1046519273,0.0953246914,0.0953246914,GGA+U,Amm2,A7B6C5_oC36_38_aef_ab2c_a2c:F-Fe-O,18.0,"Invalid WP multiplicities - A7B6C5_oC36_38_a2e2f_ab2c_a2c:F-Fe-O, expected Fe6O5F13 to be Fe6O5F7" +mp-1178324,Fe3OF7,-6.3557171982,-2.3796167333,0.1180018403,0.1180018403,GGA+U,Cc,A7B3C_mC44_9_7a_3a_a:F-Fe-O,22.0,"Invalid WP multiplicities - A7B3C_mC44_9_14a_5a_a:F-Fe-O, expected Fe5OF14 to be Fe3OF7" +mp-774191,Fe3OF7,-6.3530668436,-2.3769663787,0.1206521948,0.1206521948,GGA+U,R3m,A7B3C_hR33_160_a2b_b_a:F-Fe-O,11.0,"Invalid WP multiplicities - A7B3C_hR33_160_a4b_b_a:F-Fe-O, expected Fe3OF13 to be Fe3OF7" +mp-754705,Fe4OF8,-6.5496174504,-2.3866478126,0.11121024,0.11121024,GGA+U,Cc,A8B4C_mC52_9_8a_4a_a:F-Fe-O,26.0,A8B4C_aP26_1_16a_8a_2a:F-Fe-O +mp-850934,Fe6O11F,-7.3488728961,-1.3963627822,0.1432375386,0.1432375386,GGA+U,P1,AB6C11_aP18_1_a_6a_11a:F-Fe-O,18.0,AB6C11_aP18_1_a_6a_11a:F-Fe-O +mp-755833,Fe6O11F,-7.35170437,-1.399194256,0.1404060647,0.1404060647,GGA+U,C2,AB6C11_mC36_5_a_ab2c_a5c:F-Fe-O,18.0,"Invalid WP multiplicities - AB6C11_mC36_5_a_ab3c_a8c:F-Fe-O, expected Fe8O17F to be Fe6O11F" +mp-754606,Fe6O11F,-7.3504223728,-1.3979122588,0.1416880619,0.1416880619,GGA+U,Cm,AB6C11_mC36_8_a_6a_5a3b:F-Fe-O,18.0,"Invalid WP multiplicities - AB6C11_mC36_8_a_6a_5a5b:F-Fe-O, expected Fe6O15F to be Fe6O11F" +mp-755262,Fe6O11F,-7.3508287911,-1.3983186772,0.1412816436,0.1412816436,GGA+U,Amm2,AB6C11_oC36_38_a_abde_a2d3e:F-Fe-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_ab2d2e_a3d5e:F-Fe-O, expected Fe10O17F to be Fe6O11F" +mp-754460,Fe6O11F,-7.3554850183,-1.4029749044,0.1366254163,0.1366254163,GGA+U,Amm2,AB6C11_oC36_38_a_3a3b_5a3e:F-Fe-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_3a3b_5a6e:F-Fe-O, expected Fe6O17F to be Fe6O11F" +mp-755296,Fe6O11F,-7.3501741344,-1.3976640205,0.1419363002,0.1419363002,GGA+U,Amm2,AB6C11_oC36_38_a_ab2c_a2cef:F-Fe-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_ab4c_a2c2e3f:F-Fe-O, expected Fe10O21F to be Fe6O11F" +mp-753210,Fe4O3F5,-7.0013108229,-2.144848672,0.0943459799,0.0943459799,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-753067,Fe4O3F5,-6.9918421937,-2.1353800428,0.103814609,0.103814609,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-780978,Fe4O3F5,-6.9941374933,-2.1376753424,0.1015193094,0.1015193094,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-850746,Fe4O3F5,-7.0043789529,-2.147916802,0.0912778499,0.0912778499,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-807985,Fe4O3F5,-3.5641750679,1.292287083,3.5314817349,3.5314817349,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-779903,Fe4O3F5,-6.9951607221,-2.1386985711,0.1004960807,0.1004960807,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-1178298,Fe4O3F5,-6.9915797517,-2.1351176007,0.1040770511,0.1040770511,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-755730,Fe4O3F5,-6.9589229562,-2.1024608053,0.1367338465,0.1367338465,GGA+U,P1,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O,24.0,A5B4C3_aP24_1_10a_8a_6a:F-Fe-O +mp-752909,Fe4O3F5,-6.9818490262,-2.1253868753,0.1138077765,0.1138077765,GGA+U,P-1,A5B4C3_aP24_2_5i_ab3i_3i:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_aP24_2_10i_ab6i_5i:F-Fe-O, expected Fe7(OF2)5 to be Fe4O3F5" +mp-850329,Fe4O3F5,-7.0078568112,-2.1513946603,0.0877999915,0.0877999915,GGA+U,P-1,A5B4C3_aP24_2_5i_bc3i_3i:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_aP24_2_10i_bc4i_6i:F-Fe-O, expected Fe5(O3F5)2 to be Fe4O3F5" +mp-850340,Fe4O3F5,-6.9946591417,-2.1381969907,0.1009976611,0.1009976611,GGA+U,P-1,A5B4C3_aP24_2_5i_ac3i_3i:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_aP24_2_9i_ac6i_6i:F-Fe-O, expected Fe7(O2F3)3 to be Fe4O3F5" +mp-850364,Fe4O3F5,-6.9983340567,-2.1418719057,0.0973227461,0.0973227461,GGA+U,P-1,A5B4C3_aP24_2_5i_bcdh2i_3i:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_aP24_2_9i_bcdh3i_6i:F-Fe-O, expected Fe5(O2F3)3 to be Fe4O3F5" +mp-780491,Fe4O3F5,-6.9950292954,-2.1385671445,0.1006275074,0.1006275074,GGA+U,P2_1,A5B4C3_mP24_4_5a_4a_3a:F-Fe-O,24.0,A5B4C3_mP24_4_10a_8a_6a:F-Fe-O +mp-763002,Fe4O3F5,-6.9942170733,-2.1377549224,0.1014397294,0.1014397294,GGA+U,Pc,A5B4C3_mP24_7_5a_4a_3a:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mP24_7_6a_7a_3a:F-Fe-O, expected Fe7(OF2)3 to be Fe4O3F5" +mp-1178291,Fe4O3F5,-7.0092643596,-2.1528022086,0.0863924432,0.0863924432,GGA+U,Pc,A5B4C3_mP24_7_5a_4a_3a:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mP24_7_9a_8a_5a:F-Fe-O, expected Fe8O5F9 to be Fe4O3F5" +mp-752761,Fe4O3F5,-7.00126773,-2.1448055791,0.0943890728,0.0943890728,GGA+U,Cm,A5B4C3_mC24_8_a2b_2ab_3a:F-Fe-O,12.0,A5B4C3_mC24_8_a2b_2ab_3a:F-Fe-O +mp-850341,Fe4O3F5,-7.0060440242,-2.1495818732,0.0896127786,0.0896127786,GGA+U,Cm,A5B4C3_mC48_8_2a4b_4a2b_6a:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mC48_8_2a6b_4a3b_6a:F-Fe-O, expected Fe5O3F7 to be Fe4O3F5" +mp-773741,Fe4O3F5,-7.0053342046,-2.1488720536,0.0903225982,0.0903225982,GGA+U,Cm,A5B4C3_mC48_8_2a4b_4a2b_6a:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mC48_8_2a8b_4a4b_6a:F-Fe-O, expected Fe2OF3 to be Fe4O3F5" +mp-752614,Fe4O3F5,-6.9791415679,-2.122679417,0.1165152349,0.1165152349,GGA+U,P2_1/m,A5B4C3_mP24_11_3ef_ac2e_ef:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mP24_11_6ef_ad3e_2ef:F-Fe-O, expected Fe5(OF2)4 to be Fe4O3F5" +mp-781048,Fe4O3F5,-7.0005720046,-2.1441098536,0.0950847982,0.0950847982,GGA+U,C2/m,A5B4C3_mC48_12_ghij_ad3i_3i:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mC48_12_2ghi3j_ac4i_5i:F-Fe-O, expected FeOF2 to be Fe4O3F5" +mp-780581,Fe4O3F5,-6.9747469550000005,-2.1182848041,0.1209098478,0.1209098478,GGA+U,C2/m,A5B4C3_mC48_12_3ij_ef2i_ij:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_mC48_12_6i2j_2e2f4i_i2j:F-Fe-O, expected Fe8(OF2)5 to be Fe4O3F5" +mp-753256,Fe4O3F5,-7.0100831625,-2.1536210116,0.0855736403,0.0855736403,GGA+U,Amm2,A5B4C3_oC24_38_af_abc_a2b:F-Fe-O,12.0,"Invalid WP multiplicities - A5B4C3_oC24_38_a2f_abc_a2b:F-Fe-O, expected Fe4(OF3)3 to be Fe4O3F5" +mp-753217,Fe4O3F5,-7.0522809225,-2.1958187716,0.0433758803,0.0433758803,GGA+U,Imm2,A5B4C3_oI24_44_ae_abc_a2b:F-Fe-O,12.0,"Invalid WP multiplicities - A5B4C3_oI24_44_a2e_abc_a2b:F-Fe-O, expected Fe4(OF3)3 to be Fe4O3F5" +mp-1178289,Fe4O3F5,-6.9970735017,-2.1406113507,0.0985833011,0.0985833011,GGA+U,Pmmn,A5B4C3_oP24_59_ag_abe_a2b:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_oP24_59_a2g_2a2be_2a2b:F-Fe-O, expected Fe6O4F9 to be Fe4O3F5" +mp-753020,Fe4O3F5,-7.0534307312,-2.1969685803,0.0422260715,0.0422260715,GGA+U,Cmcm,A5B4C3_oC48_63_ch_acf_cf:F-Fe-O,24.0,"Invalid WP multiplicities - A5B4C3_oC48_63_c2h_2a2cf_2c3f:F-Fe-O, expected Fe6O8F9 to be Fe4O3F5" +mp-781010,Fe7(OF3)3,-7.0212391447,-2.2142114968,0.0867976924,0.0867976924,GGA+U,P1,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O,19.0,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O +mp-807827,Fe7(OF3)3,-5.5909522137,-0.7839245657,1.5170846234000002,1.5170846234000002,GGA+U,P1,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O,19.0,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O +mp-1340532,Fe7(OF3)3,-6.3923472868,-1.5853196389000002,0.7156895503,0.7156895503,GGA+U,P1,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O,19.0,A9B7C3_aP19_1_9a_7a_3a:F-Fe-O +mp-1104355,Fe3(OF4)2,-5.8620274231,-1.9700833621,0.3044388797,0.3044388797,GGA+U,C2/m,A8B3C2_mC26_12_gij_ce_i:F-Fe-O,13.0,A8B3C2_mC26_12_hij_ae_i:F-Fe-O +mp-1213097,Fe(O2F)2,-5.5148673193,-0.9320481779,0.2764670352,0.2764670352,GGA+U,Pca2_1,A2BC4_oP28_29_2a_a_4a:F-Fe-O,28.0,A2BC4_oP28_29_2a_a_4a:F-Fe-O +mp-1178250,Fe5OF11,-6.4542879682,-2.4352842386,0.0957008208,0.0957008208,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Fe-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Fe-O +mp-1178251,Fe5OF11,-6.4647191735,-2.4457154439,0.0852696155,0.0852696155,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Fe-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Fe-O +mp-1346391,Fe5OF11,-5.8533062376,-1.834302508,0.6966825513,0.6966825513,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Fe-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Fe-O +mp-1332209,Fe5OF11,-5.59359643,-1.5745927004,0.956392359,0.956392359,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Fe-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Fe-O +mp-752802,Fe5(OF2)4,-6.6746181541,-2.1199891756,0.1216615767,0.1216615767,GGA+U,F222,A8B5C4_oF68_22_ejk_afi_k:F-Fe-O,17.0,"Invalid WP multiplicities - A8B5C4_oF68_22_2e2j3k_a2f2i_k:F-Fe-O, expected Fe9(OF5)4 to be Fe5(OF2)4" +mp-754310,Fe5(OF2)4,-6.7212367724,-2.1666077938,0.0750429585,0.0750429585,GGA+U,Cmmm,A8B5C4_oC34_65_gjo_akl_n:F-Fe-O,17.0,"Invalid WP multiplicities - A8B5C4_oC34_65_2gj2o_akl_n:F-Fe-O, expected Fe5(O2F7)2 to be Fe5(OF2)4" +mp-1178466,Fe2OF2,-7.226425598,-2.0844877847,0.063668599,0.063668599,GGA+U,C2/c,A2B2C_mC60_15_3f_3f_ef:F-Fe-O,30.0,"Invalid WP multiplicities - A2B2C_mC60_15_5f_9f_ef:F-Fe-O, expected Fe18O3F10 to be Fe2OF2" +mp-755890,Fe5O7F3,-7.238288804,-1.7241978752,0.118011366,0.118011366,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-778809,Fe5O7F3,-7.2409101533,-1.7268192246,0.1153900166,0.1153900166,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779538,Fe5O7F3,-7.2440770833,-1.7299861546000002,0.1122230866,0.1122230866,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779615,Fe5O7F3,-7.2422606977,-1.7281697689,0.1140394723,0.1140394723,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779614,Fe5O7F3,-7.2428209697,-1.7287300409,0.1134792003,0.1134792003,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779613,Fe5O7F3,-7.2369255057,-1.7228345769,0.1193746643,0.1193746643,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779163,Fe5O7F3,-7.2433521853,-1.7292612566,0.1129479846,0.1129479846,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-1178260,Fe5O7F3,-7.2411645287,-1.7270735999,0.1151356413,0.1151356413,GGA+U,P1,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O,30.0,A3B5C7_aP30_1_6a_10a_14a:F-Fe-O +mp-779595,Fe5O7F3,-7.242101625,-1.7280106963,0.114198545,0.114198545,GGA+U,P-1,A3B5C7_aP30_2_3i_be4i_7i:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_aP30_2_5i_be6i_14i:F-Fe-O, expected Fe7O14F5 to be Fe5O7F3" +mp-779334,Fe5O7F3,-7.2435377183,-1.7294467896,0.1127624516,0.1127624516,GGA+U,P-1,A3B5C7_aP30_2_3i_be4i_7i:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_aP30_2_5i_be5i_14i:F-Fe-O, expected Fe6O14F5 to be Fe5O7F3" +mp-780508,Fe5O7F3,-7.2379094043,-1.7238184756,0.1183907656,0.1183907656,GGA+U,P2_1,A3B5C7_mP30_4_3a_5a_7a:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mP30_4_5a_10a_14a:F-Fe-O, expected Fe10O14F5 to be Fe5O7F3" +mp-774308,Fe5O7F3,-7.2432515543,-1.7291606256,0.1130486156,0.1130486156,GGA+U,C2,A3B5C7_mC60_5_3c_ab4c_2a6c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mC60_5_3c_ab5c_2a10c:F-Fe-O, expected Fe6O11F3 to be Fe5O7F3" +mp-781077,Fe5O7F3,-7.2426644857,-1.7285735569,0.1136356843,0.1136356843,GGA+U,C2,A3B5C7_mC60_5_3c_ab4c_2a6c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mC60_5_4c_ab5c_2a10c:F-Fe-O, expected Fe6O11F4 to be Fe5O7F3" +mp-779526,Fe5O7F3,-7.2394908347,-1.7253999059,0.1168093353,0.1168093353,GGA+U,C2,A3B5C7_mC60_5_3c_ab4c_2a6c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mC60_5_4c_ab7c_2a11c:F-Fe-O, expected Fe2O3F to be Fe5O7F3" +mp-779047,Fe5O7F3,-7.241281024,-1.7271900953,0.115019146,0.115019146,GGA+U,C2,A3B5C7_mC60_5_3c_ab4c_2a6c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mC60_5_4c_ab5c_2a10c:F-Fe-O, expected Fe6O11F4 to be Fe5O7F3" +mp-997552,Fe5O7F3,-7.236456099,-1.7223651702,0.119844071,0.119844071,GGA+U,Pm,A3B5C7_mP30_6_ab2c_ab4c_ab6c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mP30_6_ab2c_ab7c_ab7c:F-Fe-O, expected Fe8O8F3 to be Fe5O7F3" +mp-778990,Fe5O7F3,-7.2423517813,-1.7282608526,0.1139483886,0.1139483886,GGA+U,Pm,A3B5C7_mP30_6_3c_ab4c_2a2b5c:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_mP30_6_3c_ab5c_2a2b6c:F-Fe-O, expected Fe6O8F3 to be Fe5O7F3" +mp-779063,Fe5O7F3,-7.238268018,-1.7241770893,0.118032152,0.118032152,GGA+U,Pc,A3B5C7_mP30_7_3a_5a_7a:F-Fe-O,30.0,A3B5C7_mP30_7_6a_10a_14a:F-Fe-O +mp-1178252,Fe5O7F3,-7.2384523513,-1.7243614226,0.1178478186,0.1178478186,GGA+U,Pmn2_1,A3B5C7_oP30_31_ab_a2b_a3b:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_oP30_31_ab_2a6b_2a4b:F-Fe-O, expected Fe14O10F3 to be Fe5O7F3" +mp-1178256,Fe5O7F3,-7.2673481133,-1.7532571846,0.0889520566,0.0889520566,GGA+U,Pmn2_1,A3B5C7_oP30_31_ab_a2b_a3b:F-Fe-O,30.0,"Invalid WP multiplicities - A3B5C7_oP30_31_2a2b_2a6b_2a6b:F-Fe-O, expected Fe7O7F3 to be Fe5O7F3" +mp-818581,Fe3OF9,-5.9033962719,-2.2449298836,0.1907450378,0.1907450378,GGA+U,Cmcm,A9B3C_oC52_63_cfgh_ad_c:F-Fe-O,26.0,A9B3C_oC52_63_cfgh_ad_c:F-Fe-O +mp-756716,Fe3O5F,-7.3025775039,-1.5186901535,0.1372982136,0.1372982136,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Fe-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Fe-O +mp-755958,Fe3O5F,-7.3155196928,-1.5316323424,0.1243560247,0.1243560247,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Fe-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Fe-O +mp-756010,Fe3O5F,-7.3070279356,-1.5231405851000002,0.1328477819,0.1328477819,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Fe-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Fe-O +mp-1178306,Fe3O5F,-7.3010991072,-1.5172117568,0.1387766103,0.1387766103,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Fe-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Fe-O +mp-756778,Fe3O5F,-7.3142718367,-1.5303844862,0.1256038808,0.1256038808,GGA+U,P-1,AB3C5_aP18_2_i_ab2i_5i:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ab3i_9i:F-Fe-O, expected Fe4O9F to be Fe3O5F" +mp-756026,Fe3O5F,-7.2999311667,-1.5160438162,0.1399445508,0.1399445508,GGA+U,P-1,AB3C5_aP18_2_i_ae2i_5i:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ae2i_10i:F-Fe-O, expected Fe3O10F to be Fe3O5F" +mp-754731,Fe3O5F,-7.3080448922,-1.5241575418000002,0.1318308253,0.1318308253,GGA+U,P-1,AB3C5_aP18_2_i_ae2i_5i:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ae3i_10i:F-Fe-O, expected Fe4O10F to be Fe3O5F" +mp-754412,Fe3O5F,-7.3003546956,-1.5164673451,0.1395210219,0.1395210219,GGA+U,P2_1,AB3C5_mP18_4_a_3a_5a:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mP18_4_a_6a_10a:F-Fe-O, expected Fe6O10F to be Fe3O5F" +mp-755823,Fe3O5F,-7.3053051511,-1.5214178007,0.1345705664,0.1345705664,GGA+U,Pm,AB3C5_mP18_6_ab_3a3b_5a5b:F-Fe-O,18.0,AB3C5_mP18_6_ab_3a3b_5a5b:F-Fe-O +mp-755279,Fe3O5F,-7.3091946011,-1.5253072507,0.1306811164,0.1306811164,GGA+U,Cm,AB3C5_mC36_8_2a_6a_4a3b:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_8_2a_6a_4a5b:F-Fe-O, expected Fe3O7F to be Fe3O5F" +mp-757024,Fe3O5F,-7.3106264444,-1.526739094,0.129249273,0.129249273,GGA+U,P2/m,AB3C5_mP18_10_m_cemn_2m3n:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mP18_10_m_ae2mn_4m6n:F-Fe-O, expected Fe4O10F to be Fe3O5F" +mp-756453,Fe3O5F,-7.3117213356,-1.5278339851,0.1281543819,0.1281543819,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad3i_2g3i2j:F-Fe-O, expected Fe4O9F to be Fe3O5F" +mp-755670,Fe3O5F,-7.3103667333,-1.5264793829,0.1295089842,0.1295089842,GGA+U,C2/m,AB3C5_mC36_12_i_ad2i_g2ij:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ac2i_2g4i2j:F-Fe-O, expected Fe3O10F to be Fe3O5F" +mp-754602,Fe3O5F,-7.3129462156,-1.5290588651,0.1269295019,0.1269295019,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad4i_2g4i3j:F-Fe-O, expected Fe5O12F to be Fe3O5F" +mp-755195,Fe3O5F,-7.3017563917,-1.5178690412,0.1381193258,0.1381193258,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad3i_g4i2j:F-Fe-O, expected Fe4O9F to be Fe3O5F" +mp-755423,Fe3O5F,-7.3031287189,-1.5192413685,0.1367469986,0.1367469986,GGA+U,Pmn2_1,AB3C5_oP18_31_a_ab_a2b:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_oP18_31_a_2a3b_2a4b:F-Fe-O, expected Fe8O10F to be Fe3O5F" +mp-1178308,Fe3O5F,-7.2648460222,-1.4809586718,0.1750296953,0.1750296953,GGA+U,Pmn2_1,AB3C5_oP18_31_a_3a_5a:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_oP18_31_a_5a_10a:F-Fe-O, expected Fe5O10F to be Fe3O5F" +mp-756820,Fe3O5F,-7.3091526511,-1.5252653007,0.1307230664,0.1307230664,GGA+U,Amm2,AB3C5_oC36_38_c_ab2c_2acef:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_oC36_38_c_ab2c_2ac2e2f:F-Fe-O, expected Fe3O8F to be Fe3O5F" +mp-755945,Fe3O5F,-7.3099816361,-1.5260942857000002,0.1298940814,0.1298940814,GGA+U,Cmmm,AB3C5_oC36_65_g_acgh_2gjq:F-Fe-O,18.0,"Invalid WP multiplicities - AB3C5_oC36_65_g_ac2g2h_2g2j2q:F-Fe-O, expected Fe5O8F to be Fe3O5F" +mp-775389,Fe10O19F,-7.3692822373,-1.349323018,0.1437220842,0.1437220842,GGA+U,P1,AB10C19_aP30_1_a_10a_19a:F-Fe-O,30.0,AB10C19_aP30_1_a_10a_19a:F-Fe-O +mp-779359,Fe10O19F,-7.368856869,-1.3488976496,0.1441474526,0.1441474526,GGA+U,P1,AB10C19_aP30_1_a_10a_19a:F-Fe-O,30.0,AB10C19_aP30_1_a_10a_19a:F-Fe-O +mp-776957,Fe10O19F,-7.3709082443,-1.350949025,0.1420960772,0.1420960772,GGA+U,Amm2,AB10C19_oC60_38_a_ab4c_a4ce2f:F-Fe-O,30.0,"Invalid WP multiplicities - AB10C19_oC60_38_a_ab7c_a6c2e7f:F-Fe-O, expected Fe16O45F to be Fe10O19F" +mp-778157,Fe5O3F7,-6.9306797477,-2.2259780839,0.0838090276,0.0838090276,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-777587,Fe5O3F7,-6.933915076,-2.2292134123,0.0805736992,0.0805736992,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778467,Fe5O3F7,-6.935524007,-2.2308223432,0.0789647682,0.0789647682,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-775262,Fe5O3F7,-6.926553372,-2.2218517082,0.0879354032,0.0879354032,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778182,Fe5O3F7,-6.9278615177,-2.2231598539,0.0866272576,0.0866272576,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778247,Fe5O3F7,-6.9316659803,-2.2269643166,0.0828227949,0.0828227949,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778248,Fe5O3F7,-6.9300614667,-2.2253598029,0.0844273086,0.0844273086,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778124,Fe5O3F7,-6.9260723213,-2.2213706576,0.0884164539,0.0884164539,GGA+U,P1,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O,30.0,A7B5C3_aP30_1_14a_10a_6a:F-Fe-O +mp-778225,Fe5O3F7,-6.926117835,-2.2214161713,0.0883709402,0.0883709402,GGA+U,P-1,A7B5C3_aP30_2_7i_be4i_3i:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_aP30_2_14i_be7i_6i:F-Fe-O, expected Fe4O3F7 to be Fe5O3F7" +mp-777538,Fe5O3F7,-6.9357395587,-2.2310378949,0.0787492166,0.0787492166,GGA+U,C2,A7B5C3_mC60_5_2a6c_ab4c_3c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mC60_5_2a10c_ab5c_4c:F-Fe-O, expected Fe6O4F11 to be Fe5O3F7" +mp-777536,Fe5O3F7,-6.9361973387,-2.2314956749,0.0782914366,0.0782914366,GGA+U,C2,A7B5C3_mC60_5_2a6c_ab4c_3c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mC60_5_2a11c_ab7c_4c:F-Fe-O, expected Fe2OF3 to be Fe5O3F7" +mp-777876,Fe5O3F7,-6.9519076383,-2.2472059746,0.0625811369,0.0625811369,GGA+U,C2,A7B5C3_mC60_5_2a6c_ab4c_3c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mC60_5_2a10c_ab5c_4c:F-Fe-O, expected Fe6O4F11 to be Fe5O3F7" +mp-777743,Fe5O3F7,-6.912893013,-2.2081913493,0.1015957622,0.1015957622,GGA+U,C2,A7B5C3_mC60_5_2a6c_ab4c_3c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mC60_5_2a11c_ab7c_4c:F-Fe-O, expected Fe2OF3 to be Fe5O3F7" +mp-777542,Fe5O3F7,-6.9331207227,-2.2284190589,0.0813680526,0.0813680526,GGA+U,Pm,A7B5C3_mP30_6_2a2b5c_ab4c_3c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mP30_6_2a2b7c_ab7c_3c:F-Fe-O, expected Fe8(OF3)3 to be Fe5O3F7" +mp-777574,Fe5O3F7,-6.9280074477,-2.2233057839,0.0864813276,0.0864813276,GGA+U,Pm,A7B5C3_mP30_6_ab6c_ab4c_ab2c:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_mP30_6_ab9c_ab6c_ab3c:F-Fe-O, expected Fe7(O2F5)2 to be Fe5O3F7" +mp-777543,Fe5O3F7,-6.93265833,-2.2279566663,0.0818304452,0.0818304452,GGA+U,Pc,A7B5C3_mP30_7_7a_5a_3a:F-Fe-O,30.0,A7B5C3_mP30_7_14a_10a_6a:F-Fe-O +mp-777636,Fe5O3F7,-6.911400601,-2.2066989373,0.1030881742,0.1030881742,GGA+U,Pmn2_1,A7B5C3_oP30_31_a3b_a2b_ab:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_oP30_31_2a7b_2a6b_2a3b:F-Fe-O, expected Fe7(OF2)4 to be Fe5O3F7" +mp-1178321,Fe5O3F7,-6.90777379,-2.2030721262,0.1067149852,0.1067149852,GGA+U,Pmn2_1,A7B5C3_oP30_31_a3b_a2b_ab:F-Fe-O,30.0,"Invalid WP multiplicities - A7B5C3_oP30_31_2a6b_2a7b_ab:F-Fe-O, expected Fe16O3F14 to be Fe5O3F7" +mp-775445,Fe5(O4F)2,-7.2894498573,-1.5730116123,0.1295319733,0.1295319733,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-780299,Fe5(O4F)2,-7.2912851077,-1.5748468627,0.1276967229,0.1276967229,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-780514,Fe5(O4F)2,-7.2796602733,-1.5632220283,0.1393215573,0.1393215573,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-780515,Fe5(O4F)2,-7.2887003057,-1.5722620607,0.1302815249,0.1302815249,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178282,Fe5(O4F)2,-7.2917977787,-1.5753595337,0.1271840519,0.1271840519,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178286,Fe5(O4F)2,-7.2937035663,-1.5772653213,0.1252782643,0.1252782643,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178287,Fe5(O4F)2,-7.2926752,-1.5762369550000002,0.1263066306,0.1263066306,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178288,Fe5(O4F)2,-7.2874857,-1.571047455,0.1314961306,0.1314961306,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178326,Fe5(O4F)2,-7.2881530063,-1.5717147613,0.1308288243,0.1308288243,GGA+U,P1,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O,30.0,A2B5C8_aP30_1_4a_10a_16a:F-Fe-O +mp-1178294,Fe5(O4F)2,-7.2808054693,-1.5643672243,0.1381763613,0.1381763613,GGA+U,P-1,A2B5C8_aP30_2_2i_ae4i_8i:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_aP30_2_3i_ae6i_16i:F-Fe-O, expected Fe7O16F3 to be Fe5(O4F)2" +mp-1178299,Fe5(O4F)2,-7.3005494987,-1.5841112537000002,0.1184323319,0.1184323319,GGA+U,P-1,A2B5C8_aP30_2_2i_be4i_8i:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_aP30_2_3i_be7i_16i:F-Fe-O, expected Fe8O16F3 to be Fe5(O4F)2" +mp-756011,Fe5(O4F)2,-7.287534514,-1.571096269,0.1314473166,0.1314473166,GGA+U,P2_1,A2B5C8_mP30_4_2a_5a_8a:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mP30_4_3a_10a_16a:F-Fe-O, expected Fe10O16F3 to be Fe5(O4F)2" +mp-1178279,Fe5(O4F)2,-7.2939594437,-1.5775211987,0.1250223869,0.1250223869,GGA+U,P2_1,A2B5C8_mP30_4_2a_5a_8a:F-Fe-O,30.0,A2B5C8_mP30_4_4a_10a_16a:F-Fe-O +mp-1178275,Fe5(O4F)2,-7.2878300663,-1.5713918213,0.1311517643,0.1311517643,GGA+U,C2,A2B5C8_mC60_5_2c_ab4c_2a7c:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mC60_5_2c_ab5c_2a12c:F-Fe-O, expected Fe6O13F2 to be Fe5(O4F)2" +mp-780328,Fe5(O4F)2,-7.290745403,-1.574307158,0.1282364276,0.1282364276,GGA+U,Pm,A2B5C8_mP30_6_abc_ab4c_ab7c:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mP30_6_abc_ab7c_ab8c:F-Fe-O, expected Fe8O9F2 to be Fe5(O4F)2" +mp-780310,Fe5(O4F)2,-7.2730004697,-1.5565622247,0.1459813609,0.1459813609,GGA+U,P2_1/c,A2B5C8_mP30_14_e_a2e_4e:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mP30_14_e_2a6e_16e:F-Fe-O, expected Fe7O16F to be Fe5(O4F)2" +mp-1178278,Fe5(O4F)2,-7.28715475,-1.570716505,0.1318270806,0.1318270806,GGA+U,P2_1/c,A2B5C8_mP30_14_e_a2e_4e:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mP30_14_e_2a6e_16e:F-Fe-O, expected Fe7O16F to be Fe5(O4F)2" +mp-1178284,Fe5(O4F)2,-7.2941298627,-1.5776916177,0.1248519679,0.1248519679,GGA+U,P2_1/c,A2B5C8_mP30_14_e_a2e_4e:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_mP30_14_e_2a7e_16e:F-Fe-O, expected Fe8O16F to be Fe5(O4F)2" +mp-1178270,Fe5(O4F)2,-7.287452199,-1.571013954,0.1315296316,0.1315296316,GGA+U,Pmn2_1,A2B5C8_oP30_31_b_a2b_2a3b:F-Fe-O,30.0,"Invalid WP multiplicities - A2B5C8_oP30_31_b_2a5b_4a8b:F-Fe-O, expected Fe6O10F to be Fe5(O4F)2" +mp-755377,Fe2O2F3,-6.6340208621,-1.9814698986,0.1362769799,0.1362769799,GGA+U,C2/c,A3B2C2_mC28_15_ef_f_f:F-Fe-O,14.0,"Invalid WP multiplicities - A3B2C2_mC28_15_e2f_f_f:F-Fe-O, expected Fe2O2F5 to be Fe2O2F3" +mp-777881,Fe10O11F9,-7.1748685037,-1.9642985493,0.0874091754,0.0874091754,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-777741,Fe10O11F9,-7.1749989157,-1.9644289613,0.0872787634,0.0872787634,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-779774,Fe10O11F9,-7.1749125923,-1.964342638,0.0873650867,0.0873650867,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-780434,Fe10O11F9,-7.1817324117,-1.9711624573,0.0805452674,0.0805452674,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-780793,Fe10O11F9,-7.169890308,-1.9593203536,0.092387371,0.092387371,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-780797,Fe10O11F9,-7.1681783367,-1.9576083823,0.0940993424,0.0940993424,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-780800,Fe10O11F9,-7.1604285397,-1.9498585853,0.1018491394,0.1018491394,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-780974,Fe10O11F9,-7.171847316,-1.9612773616,0.090430363,0.090430363,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-756720,Fe10O11F9,-7.1694952877,-1.9589253333,0.0927823914,0.0927823914,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-756189,Fe10O11F9,-7.1690358907,-1.9584659363,0.0932417884,0.0932417884,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-1178341,Fe10O11F9,-7.1705757553,-1.960005801,0.0917019237,0.0917019237,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-1178343,Fe10O11F9,-7.1686009167,-1.9580309623,0.0936767624,0.0936767624,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-1178344,Fe10O11F9,-7.1718886513,-1.961318697,0.0903890277,0.0903890277,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-1178349,Fe10O11F9,-7.1737772327,-1.9632072783,0.0885004464,0.0885004464,GGA+U,P1,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O,30.0,A9B10C11_aP30_1_9a_10a_11a:F-Fe-O +mp-774395,Fe10O11F9,-7.165443375,-1.9548734206,0.096834304,0.096834304,GGA+U,C2,A9B10C11_mC60_5_a4c_ab4c_a5c:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_mC60_5_a6c_ab7c_a10c:F-Fe-O, expected Fe16O21F13 to be Fe10O11F9" +mp-774384,Fe10O11F9,-7.1593428203,-1.948772866,0.1029348587,0.1029348587,GGA+U,Pm,A9B10C11_mP30_6_a2b3c_ab4c_a5c:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_mP30_6_a2b4c_ab5c_a7c:F-Fe-O, expected Fe12O15F11 to be Fe10O11F9" +mp-774394,Fe10O11F9,-7.1666467937,-1.9560768393,0.0956308854,0.0956308854,GGA+U,Pm,A9B10C11_mP30_6_a4c_ab4c_a2b4c:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_mP30_6_a6c_ab7c_a2b7c:F-Fe-O, expected Fe16O17F13 to be Fe10O11F9" +mp-777638,Fe10O11F9,-7.176279972,-1.9657100176,0.085997707,0.085997707,GGA+U,Pm,A9B10C11_mP30_6_a2b3c_ab4c_a5c:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_mP30_6_a2b5c_ab7c_a7c:F-Fe-O, expected Fe16O15F13 to be Fe10O11F9" +mp-777456,Fe10O11F9,-7.1732060187,-1.9626360643,0.0890716604,0.0890716604,GGA+U,Pm,A9B10C11_mP30_6_a2b3c_ab4c_a5c:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_mP30_6_a2b4c_ab7c_a6c:F-Fe-O, expected Fe16O13F11 to be Fe10O11F9" +mp-777616,Fe10O11F9,-7.1514737283,-1.940903774,0.1108039507,0.1108039507,GGA+U,Amm2,A9B10C11_oC60_38_a4c_ab4c_ae2f:F-Fe-O,30.0,"Invalid WP multiplicities - A9B10C11_oC60_38_a6c_ab7c_a2e6f:F-Fe-O, expected Fe16O29F13 to be Fe10O11F9" +mp-1178318,Fe3(OF)2,-7.4604592668,-1.8709736971,0.0868967296,0.0868967296,GGA+U,Pm,A2B3C2_mP28_6_4a4b_2a2b4c_4c:F-Fe-O,28.0,"Invalid WP multiplicities - A2B3C2_oP14_51_3f_a2e2f_i:F-Fe-O, expected Fe5O2F3 to be Fe3(OF)2" +mp-753491,Fe3(OF)2,-7.5038272521,-1.9143416825,0.0435287443,0.0435287443,GGA+U,P2_1/c,A2B3C2_mP14_14_e_ae_e:F-Fe-O,14.0,"Invalid WP multiplicities - A2B3C2_mP14_14_e_2a2e_e:F-Fe-O, expected Fe3OF to be Fe3(OF)2" +mp-765172,Fe3(OF)2,-7.4577943757,-1.8683088061,0.0895616207,0.0895616207,GGA+U,Pmma,A2B3C2_oP14_51_2f_aef_i:F-Fe-O,28.0,"Invalid WP multiplicities - A2B3C2_oP14_51_3f_a2e2f_i:F-Fe-O, expected Fe5O2F3 to be Fe3(OF)2" +mp-753187,Fe3(OF)2,-7.4266414893,-1.8371559196,0.1207145071,0.1207145071,GGA+U,Pbcm,A2B3C2_oP28_57_2d_acd_e:F-Fe-O,28.0,"Invalid WP multiplicities - A2B3C2_oP28_57_3d_a2c2d_e:F-Fe-O, expected Fe5O2F3 to be Fe3(OF)2" +mp-779899,Fe6O7F6,-6.9887304079,-1.8878976687,0.1219828546,0.1219828546,GGA+U,C2/m,A6B6C7_mC38_12_3i_3i_a3i:F-Fe-O,19.0,"Invalid WP multiplicities - A6B6C7_mC38_12_5i_5i_a5i:F-Fe-O, expected Fe10O11F10 to be Fe6O7F6" +mp-634802,Np(OF)2,-8.01066151,-2.6778385023,0.742510014,0.5506190536000001,GGA,C2/m,A2BC2_mC10_12_i_a_i:F-Np-O,5.0,A2BC2_mC10_12_i_a_i:F-Np-O +mp-27986,Np(OF)2,-8.753171524,-3.4203485163,0.0,-0.1918909604,GGA,R-3m,A2BC2_hR15_166_c_a_c:F-Np-O,5.0,A2BC2_hR15_166_c_a_c:F-Np-O +mp-755758,FeOF,-7.1265023994,-2.0171061032,0.1044344493,0.1044344493,GGA+U,P1,ABC_aP18_1_6a_6a_6a:F-Fe-O,18.0,ABC_aP18_1_6a_6a_6a:F-Fe-O +mp-861691,FeOF,-7.130181575,-2.0207852787,0.1007552737,0.1007552737,GGA+U,P1,ABC_aP18_1_6a_6a_6a:F-Fe-O,18.0,ABC_aP18_1_6a_6a_6a:F-Fe-O +mp-755912,FeOF,-7.1337379728,-2.0243416765,0.0971988759,0.0971988759,GGA+U,P1,ABC_aP18_1_6a_6a_6a:F-Fe-O,18.0,ABC_aP18_1_6a_6a_6a:F-Fe-O +mp-763029,FeOF,-7.1141839956,-2.0047876993,0.1167528531,0.1167528531,GGA+U,P-1,ABC_aP18_2_3i_ae2i_3i:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_aP18_2_5i_ae2i_5i:F-Fe-O, expected Fe3(OF)5 to be FeOF" +mp-758773,FeOF,-7.1425865865,-2.0331902902,0.0883502622,0.0883502622,GGA+U,P-1,ABC_aP48_2_8i_8i_8i:F-Fe-O,48.0,"Invalid WP multiplicities - ABC_aP48_2_16i_12i_16i:F-Fe-O, expected Fe3(OF)4 to be FeOF" +mp-759284,FeOF,-7.1434722179,-2.0340759217,0.0874646308,0.0874646308,GGA+U,P-1,ABC_aP48_2_8i_8i_8i:F-Fe-O,48.0,"Invalid WP multiplicities - ABC_aP48_2_16i_12i_16i:F-Fe-O, expected Fe3(OF)4 to be FeOF" +mp-759268,FeOF,-7.181557099,-2.0721608027,0.0493797497,0.0493797497,GGA+U,P-1,ABC_aP48_2_8i_8i_8i:F-Fe-O,48.0,"Invalid WP multiplicities - ABC_aP48_2_16i_12i_16i:F-Fe-O, expected Fe3(OF)4 to be FeOF" +mp-753017,FeOF,-7.1966893806,-2.0872930843,0.0342474681,0.0342474681,GGA+U,P2_1,ABC_mP18_4_3a_3a_3a:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_mP18_4_4a_6a_5a:F-Fe-O, expected Fe6O5F4 to be FeOF" +mp-754616,FeOF,-7.1513275829,-2.0419312867,0.0796092658,0.0796092658,GGA+U,P2_1,ABC_mP24_4_4a_4a_4a:F-Fe-O,24.0,"Invalid WP multiplicities - ABC_mP24_4_7a_7a_6a:F-Fe-O, expected Fe7O6F7 to be FeOF" +mp-755772,FeOF,-6.6042560004,-1.4948597042,0.6266808483,0.6266808483,GGA+U,P2_1,ABC_mP24_4_4a_4a_4a:F-Fe-O,24.0,"Invalid WP multiplicities - ABC_mP24_4_6a_8a_7a:F-Fe-O, expected Fe8O7F6 to be FeOF" +mp-763022,FeOF,-7.1485385388000005,-2.0391422425,0.08239831,0.08239831,GGA+U,C2,ABC_mC48_5_ab3c_ab3c_ab3c:F-Fe-O,24.0,"Invalid WP multiplicities - ABC_mC48_5_ab6c_ab3c_ab6c:F-Fe-O, expected Fe4(OF)7 to be FeOF" +mp-758782,FeOF,-7.1456730053,-2.036276709,0.0852638434,0.0852638434,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759130,FeOF,-7.1497738035,-2.0403775073,0.0811630452,0.0811630452,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-752991,FeOF,-7.1282008628,-2.0188045665,0.1027359859,0.1027359859,GGA+U,Pm,ABC_mP18_6_5ab_3a3b_a5b:F-Fe-O,18.0,ABC_mP18_6_5ab_3a3b_a5b:F-Fe-O +mp-759562,FeOF,-7.1605031783,-2.0511068821,0.0704336704,0.0704336704,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-759193,FeOF,-7.1466984881,-2.0373021918,0.0842383606,0.0842383606,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759697,FeOF,-7.1645240567,-2.0551277604,0.066412792,0.066412792,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-758716,FeOF,-7.1551494783,-2.0457531821,0.0757873704,0.0757873704,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-758442,FeOF,-7.099096455,-1.9897001588,0.1318403937,0.1318403937,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-759497,FeOF,-7.1498044494,-2.0404081532,0.0811323993,0.0811323993,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759248,FeOF,-7.1567941559,-2.0473978597,0.0741426928,0.0741426928,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759961,FeOF,-7.1363035864,-2.0269072901,0.0946332623,0.0946332623,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759880,FeOF,-7.1550271106,-2.0456308143,0.0759097381,0.0759097381,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759080,FeOF,-7.1559590644,-2.0465627682,0.0749777843,0.0749777843,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-752992,FeOF,-6.9789914517,-1.8695951554,0.251945397,0.251945397,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-752593,FeOF,-7.154124155,-2.0447278588,0.0768126937,0.0768126937,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-758738,FeOF,-7.1416736089,-2.0322773126,0.0892632398,0.0892632398,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759503,FeOF,-7.1444498561,-2.0350535599,0.0864869926,0.0864869926,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759546,FeOF,-7.1105904975,-2.0011942012,0.1203463512,0.1203463512,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759566,FeOF,-7.1451130028,-2.0357167065,0.0858238459,0.0858238459,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759478,FeOF,-7.1291491694,-2.0197528732,0.1017876793,0.1017876793,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759247,FeOF,-7.1406027686,-2.0312064724,0.0903340801,0.0903340801,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759331,FeOF,-7.1460880467,-2.0366917504,0.084848802,0.084848802,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-753238,FeOF,-7.1483455983,-2.0389493021,0.0825912504,0.0825912504,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-764510,FeOF,-7.1498190176,-2.0404227213,0.0811178311,0.0811178311,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-764747,FeOF,-7.1620223456,-2.0526260493,0.0689145031,0.0689145031,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-753145,FeOF,-7.142791475,-2.0333951788,0.0881453737,0.0881453737,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-752804,FeOF,-7.1370783638,-2.0276820675,0.093858485,0.093858485,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-759563,FeOF,-7.1475586886,-2.0381623924,0.0833781601,0.0833781601,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-758159,FeOF,-7.1331863806,-2.0237900843,0.0977504681,0.0977504681,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759283,FeOF,-7.188629885,-2.0792335888,0.0423069637,0.0423069637,GGA+U,Pm,ABC_mP12_6_2a2b_2a2b_2a2b:F-Fe-O,12.0,ABC_mP12_6_2a2b_2a2b_2a2b:F-Fe-O +mp-763342,FeOF,-7.1497460628,-2.0403497665,0.0811907859,0.0811907859,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-759427,FeOF,-7.1709051607,-2.0615088645,0.060031688,0.060031688,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-754527,FeOF,-7.1385166744,-2.0291203782,0.0924201743,0.0924201743,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-754879,FeOF,-7.1434261078,-2.0340298115,0.0875107409,0.0875107409,GGA+U,Pm,ABC_mP18_6_2a4b_3a3b_4a2b:F-Fe-O,18.0,ABC_mP18_6_2a4b_3a3b_4a2b:F-Fe-O +mp-752880,FeOF,-7.1522221288,-2.0428258325,0.07871472,0.07871472,GGA+U,Pm,ABC_mP24_6_ab3c_ab3c_ab3c:F-Fe-O,24.0,"Invalid WP multiplicities - ABC_mP24_6_ab4c_ab4c_ab3c:F-Fe-O, expected Fe5O4F5 to be FeOF" +mp-764813,FeOF,-7.1295809447,-2.0201846485,0.101355904,0.101355904,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759262,FeOF,-7.1262848989,-2.0168886026,0.1046519498,0.1046519498,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-758710,FeOF,-7.145739028,-2.0363427317,0.0851978207,0.0851978207,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759027,FeOF,-7.1326767706,-2.0232804743,0.0982600781,0.0982600781,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759467,FeOF,-7.1205256869,-2.0111293907,0.1104111618,0.1104111618,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-753274,FeOF,-7.135669125,-2.0262728288,0.0952677237,0.0952677237,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-759490,FeOF,-7.1424258998,-2.0330296036,0.0885109489,0.0885109489,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759425,FeOF,-7.1319627675,-2.0225664712,0.0989740812,0.0989740812,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759475,FeOF,-7.1504045469,-2.0410082507,0.0805323018,0.0805323018,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759971,FeOF,-7.1489067526,-2.0395104563,0.0820300961,0.0820300961,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-758664,FeOF,-7.1488121894,-2.0394158932,0.0821246593,0.0821246593,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759595,FeOF,-7.143169362,-2.0337730658,0.0877674867,0.0877674867,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-777319,FeOF,-7.1228112944,-2.0134149982,0.1081255543,0.1081255543,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759192,FeOF,-7.1237535463,-2.01435725,0.1071833025,0.1071833025,GGA+U,Pm,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O,24.0,ABC_mP24_6_4a4b_4a4b_4a4b:F-Fe-O +mp-764890,FeOF,-7.1399439622,-2.030547666,0.0909928865,0.0909928865,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-754764,FeOF,-7.1369356008,-2.0275393046,0.0940012479,0.0940012479,GGA+U,Pm,ABC_mP12_6_3ab_2a2b_a3b:F-Fe-O,12.0,ABC_mP12_6_3ab_2a2b_a3b:F-Fe-O +mp-764940,FeOF,-7.1271773611,-2.0177810649,0.1037594876,0.1037594876,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-765085,FeOF,-7.1461963272,-2.036800031,0.0847405215,0.0847405215,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-765134,FeOF,-7.1421174024,-2.0327211062,0.0888194463,0.0888194463,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-758500,FeOF,-7.1205965072,-2.011200211,0.1103403415,0.1103403415,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-754831,FeOF,-7.1229582372,-2.013561941,0.1079786115,0.1079786115,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-757453,FeOF,-7.103990155,-1.9945938588,0.1269466937,0.1269466937,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-758461,FeOF,-7.1052796933,-1.9958833971,0.1256571554,0.1256571554,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-758902,FeOF,-7.1434495456,-2.0340532493,0.0874873031,0.0874873031,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759436,FeOF,-7.1491779146,-2.0397816184,0.0817589341,0.0817589341,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-881183,FeOF,-7.0805689408,-1.9711726446,0.1503679079,0.1503679079,GGA+U,Pm,ABC_mP12_6_2a2b_2a2b_2a2b:F-Fe-O,12.0,ABC_mP12_6_2a2b_2a2b_2a2b:F-Fe-O +mp-759395,FeOF,-7.1370243575,-2.0276280612,0.0939124912,0.0939124912,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-758352,FeOF,-7.1377091874,-2.0283128912,0.0932276613,0.0932276613,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759561,FeOF,-7.150376597,-2.0409803008,0.0805602517,0.0805602517,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-1178228,FeOF,-7.1560991567,-2.0467028604,0.074837692,0.074837692,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759674,FeOF,-7.1403806048,-2.0309843086,0.0905562439,0.0905562439,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759551,FeOF,-7.1495295596,-2.0401332634,0.0814072891,0.0814072891,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759778,FeOF,-7.14232751,-2.0329312137,0.0886093387,0.0886093387,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759222,FeOF,-7.1253967778,-2.0160004815,0.1055400709,0.1055400709,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759058,FeOF,-7.1294894372,-2.020093141,0.1014474115,0.1014474115,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-1178238,FeOF,-7.1394814189,-2.0300851226,0.0914554298,0.0914554298,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759660,FeOF,-7.1322887548,-2.0228924586,0.0986480939,0.0986480939,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-882928,FeOF,-7.1425071872,-2.033110891,0.0884296615,0.0884296615,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759531,FeOF,-7.1393905335,-2.0299942373,0.0915463152,0.0915463152,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759113,FeOF,-7.1315049761,-2.0221086799,0.0994318726,0.0994318726,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-1178244,FeOF,-7.1489091185,-2.0395128223,0.0820277302,0.0820277302,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-1178245,FeOF,-7.1401800524,-2.0307837562,0.0907567963,0.0907567963,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-752563,FeOF,-7.0977160311,-1.9883197349,0.1332208176,0.1332208176,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-759927,FeOF,-7.1355991564,-2.0262028601,0.0953376923,0.0953376923,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759295,FeOF,-7.1339211425,-2.0245248462,0.0970157062,0.0970157062,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759659,FeOF,-7.1320227019,-2.0226264057,0.0989141468,0.0989141468,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-759164,FeOF,-7.1301937856,-2.0207974893,0.1007430631,0.1007430631,GGA+U,Pm,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O,54.0,ABC_mP54_6_9a9b_9a9b_9a9b:F-Fe-O +mp-759606,FeOF,-7.1142339172,-2.004837621,0.1167029315,0.1167029315,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-754590,FeOF,-7.11061971,-2.0012234137,0.1203171387,0.1203171387,GGA+U,Pm,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O,18.0,ABC_mP18_6_3a3b_3a3b_3a3b:F-Fe-O +mp-759201,FeOF,-7.0869172017,-1.9775209054,0.144019647,0.144019647,GGA+U,Pm,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O,36.0,ABC_mP36_6_6a6b_6a6b_6a6b:F-Fe-O +mp-1178229,FeOF,-7.1000087633,-1.9906124671,0.1309280854,0.1309280854,GGA+U,Cm,ABC_mC18_8_3a_3a_3a:F-Fe-O,9.0,ABC_mC18_8_3a_3a_3a:F-Fe-O +mp-763065,FeOF,-7.1286700906,-2.0192737943,0.1022667581,0.1022667581,GGA+U,P2/m,ABC_mP18_10_2mn_cemn_m2n:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_4mn_aemn_2m4n:F-Fe-O, expected Fe3O6F5 to be FeOF" +mp-763436,FeOF,-7.139849605,-2.0304533087,0.0910872437,0.0910872437,GGA+U,P2/m,ABC_mP18_10_2mn_cemn_m2n:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_4mn_ae2mn_2m3n:F-Fe-O, expected Fe4(OF)5 to be FeOF" +mp-755359,FeOF,-7.1378014642,-2.0284051679,0.0931353845,0.0931353845,GGA+U,P2/m,ABC_mP12_10_mn_acn_mn:F-Fe-O,12.0,"Invalid WP multiplicities - ABC_mP12_10_m2n_acn_m2n:F-Fe-O, expected Fe2(OF)3 to be FeOF" +mp-759543,FeOF,-7.2197305308,-2.1103342346,0.0112063179,0.0112063179,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:F-Fe-O,12.0,ABC_mP12_14_e_e_e:F-Fe-O +mp-754053,FeOF,-7.2102668042,-2.1008705079,0.0206700445,0.0206700445,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:F-Fe-O,12.0,ABC_mP12_14_e_e_e:F-Fe-O +mp-752975,FeOF,-7.2200474675,-2.1106511713,0.0108893812,0.0108893812,GGA+U,Pmc2_1,ABC_oP12_26_ab_ab_ab:F-Fe-O,12.0,"Invalid WP multiplicities - ABC_oP12_26_2ab_ab_2ab:F-Fe-O, expected Fe2(OF)3 to be FeOF" +mp-756807,FeOF,-7.1504661017,-2.0410698054,0.080470747,0.080470747,GGA+U,Pmn2_1,ABC_oP18_31_ab_ab_ab:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_2a2b_a2b_2a2b:F-Fe-O, expected Fe5(OF)6 to be FeOF" +mp-752995,FeOF,-7.0941896917,-1.9847933954,0.136747157,0.136747157,GGA+U,Pmn2_1,ABC_oP18_31_3a_3a_3a:F-Fe-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_4a_5a_5a:F-Fe-O, expected Fe5O5F4 to be FeOF" +mp-758560,FeOF,-7.2214934633,-2.1120971671,0.0094433854,0.0094433854,GGA+U,Pmn2_1,ABC_oP6_31_a_a_a:F-Fe-O,6.0,ABC_oP6_31_a_a_a:F-Fe-O +mp-762996,FeOF,-7.1488280829,-2.0394317867,0.0821087658,0.0821087658,GGA+U,Ama2,ABC_oC48_40_abc_abc_abc:F-Fe-O,24.0,ABC_oC48_40_ab2c_2a2bc_ab2c:F-Fe-O +mp-754726,FeOF,-7.15027984,-2.0408835438,0.0806570087,0.0806570087,GGA+U,Ama2,ABC_oC24_40_ab_ab_ab:F-Fe-O,12.0,ABC_oC24_40_ab_ab_ab:F-Fe-O +mp-752941,FeOF,-7.1942877917,-2.0848914954,0.036649057,0.036649057,GGA+U,Pmmn,ABC_oP6_59_a_b_a:F-Fe-O,12.0,ABC_oP6_59_a_b_a:F-Fe-O +mp-1178210,FeOF,-7.2203243017,-2.1109280054,0.010612547,0.010612547,GGA+U,Pnma,ABC_oP12_62_c_c_c:F-Fe-O,12.0,ABC_oP12_62_c_c_c:F-Fe-O +mp-752939,FeOF,-7.1138452067,-2.0044489104,0.117091642,0.117091642,GGA+U,Cmmm,ABC_oC12_65_g_ac_j:F-Fe-O,6.0,ABC_oC12_65_g_ac_j:F-Fe-O +mp-759914,FeOF,-7.1331214808,-2.0237251846,0.0978153679,0.0978153679,GGA+U,Fddd,ABC_oF48_70_c_e_f:F-Fe-O,12.0,ABC_oF48_70_c_e_f:F-Fe-O +mp-1178215,FeOF,-7.2239287925,-2.1145324963,0.0070080562,0.0070080562,GGA+U,P4_2/m,ABC_tP12_84_j_j_j:F-Fe-O,12.0,ABC_tP12_84_j_j_j:F-Fe-O +mp-759592,FeOF,-7.2199112358,-2.1105149396,0.0110256129,0.0110256129,GGA+U,I4_1/a,ABC_tI48_88_f_f_f:F-Fe-O,24.0,ABC_tI48_88_f_f_f:F-Fe-O +mp-675006,FeOF,-7.2046064933,-2.0952101971,0.0263303554,0.0263303554,GGA+U,P4_12_12,ABC_tP12_92_a_a_a:F-Fe-O,12.0,ABC_tP12_92_a_a_a:F-Fe-O +mp-753333,FeOF,-7.1349856933,-2.0255893971,0.0959511554,0.0959511554,GGA+U,P4_2/mmc,ABC_tP12_131_k_j_l:F-Fe-O,12.0,ABC_tP12_131_k_j_l:F-Fe-O +mp-754389,FeOF,-7.1320466689,-2.0226503726,0.0988901798,0.0988901798,GGA+U,R3,ABC_hR27_146_b_3a_b:F-Fe-O,9.0,ABC_hR27_146_b_3a_b:F-Fe-O +mp-754593,Fe7O3F13,-6.5890989122,-2.2856449478,0.1385285011,0.1385285011,GGA+U,P1,A13B7C3_aP23_1_13a_7a_3a:F-Fe-O,23.0,A13B7C3_aP23_1_13a_7a_3a:F-Fe-O +mp-1369164,Fe7O3F13,-5.6415447722,-1.3380908078,1.0860826411,1.0860826411,GGA+U,P1,A13B7C3_aP23_1_13a_7a_3a:F-Fe-O,23.0,A13B7C3_aP23_1_13a_7a_3a:F-Fe-O +mp-777455,Fe7(OF7)2,-6.5770327213,-2.4055443979,0.0800137984,0.0800137984,GGA+U,P-1,A14B7C2_aP23_2_7i_acf2i_i:F-Fe-O,23.0,"Invalid WP multiplicities - A14B7C2_aP23_2_13i_acf4i_i:F-Fe-O, expected Fe11(OF13)2 to be Fe7(OF7)2" +mp-850996,Fe4O7F,-7.3288064429,-1.4606077107,0.1371866332,0.1371866332,GGA+U,P1,AB4C7_aP24_1_2a_8a_14a:F-Fe-O,24.0,AB4C7_aP24_1_2a_8a_14a:F-Fe-O +mp-753196,Fe4O7F,-7.3313383554,-1.4631396232,0.1346547207,0.1346547207,GGA+U,P-1,AB4C7_aP24_2_i_bc3i_7i:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_aP24_2_i_bc6i_14i:F-Fe-O, expected Fe7O14F to be Fe4O7F" +mp-764883,Fe4O7F,-7.3271201187,-1.4589213866,0.1388729573,0.1388729573,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_8a_14a:F-Fe-O, expected Fe8O14F to be Fe4O7F" +mp-753155,Fe4O7F,-7.3253589483,-1.4571602161,0.1406341277,0.1406341277,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_8a_13a:F-Fe-O, expected Fe8O13F to be Fe4O7F" +mp-753194,Fe4O7F,-7.3323957804,-1.4641970482,0.1335972957,0.1335972957,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_8a_14a:F-Fe-O, expected Fe8O14F to be Fe4O7F" +mp-780854,Fe4O7F,-7.3273443246,-1.4591455924,0.1386487515,0.1386487515,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_8a_14a:F-Fe-O, expected Fe8O14F to be Fe4O7F" +mp-755857,Fe4O7F,-7.3302786138,-1.4620798816,0.1357144623,0.1357144623,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_8a_14a:F-Fe-O, expected Fe8O14F to be Fe4O7F" +mp-780855,Fe4O7F,-7.3220371971,-1.4538384649,0.143955879,0.143955879,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_8a_13a:F-Fe-O, expected Fe8O13F to be Fe4O7F" +mp-758585,Fe4O7F,-7.3224669783,-1.4542682461,0.1435260977,0.1435260977,GGA+U,Cm,AB4C7_mC24_8_a_2ab_3a2b:F-Fe-O,12.0,AB4C7_mC24_8_a_2ab_3a2b:F-Fe-O +mp-780895,Fe4O7F,-7.3268695375,-1.4586708053000002,0.1391235386,0.1391235386,GGA+U,Cm,AB4C7_mC48_8_2a_4a2b_6a4b:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_8_2a_4a3b_6a6b:F-Fe-O, expected Fe5O9F to be Fe4O7F" +mp-763491,Fe4O7F,-7.3114010342,-1.443202302,0.1545920419,0.1545920419,GGA+U,Cm,AB4C7_mC48_8_b_2a3b_4a5b:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_8_b_2a6b_4a8b:F-Fe-O, expected Fe7O10F to be Fe4O7F" +mp-780858,Fe4O7F,-7.3233581983,-1.4551594661,0.1426348777,0.1426348777,GGA+U,Cm,AB4C7_mC48_8_2a_4a2b_6a4b:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_8_2a_4a4b_6a6b:F-Fe-O, expected Fe6O9F to be Fe4O7F" +mp-780891,Fe4O7F,-7.3244328696,-1.4562341374,0.1415602065,0.1415602065,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_8a_13a:F-Fe-O, expected Fe8O13F to be Fe4O7F" +mp-782646,Fe4O7F,-7.3285163583,-1.4603176261000002,0.1374767177,0.1374767177,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_8a_14a:F-Fe-O, expected Fe8O14F to be Fe4O7F" +mp-997553,Fe4O7F,-7.3296432979,-1.4614445657,0.1363497782,0.1363497782,GGA+U,P2_1/m,AB4C7_mP24_11_e_2ef_3e2f:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_11_e_2ef_6e4f:F-Fe-O, expected Fe4O14F to be Fe4O7F" +mp-756848,Fe4O7F,-7.3328052175,-1.4646064853,0.1331878586,0.1331878586,GGA+U,C2/m,AB4C7_mC48_12_i_ad3i_gh3ij:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_12_i_ac5i_2g2h5i2j:F-Fe-O, expected Fe6O13F to be Fe4O7F" +mp-780861,Fe4O7F,-7.3338578183,-1.4656590861,0.1321352577,0.1321352577,GGA+U,C2/m,AB4C7_mC48_12_i_ad3i_gh3ij:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_12_i_ac5i_2g2h6i4j:F-Fe-O, expected Fe6O18F to be Fe4O7F" +mp-756792,Fe4O7F,-7.3292466342,-1.461047902,0.1367464419,0.1367464419,GGA+U,C2/c,AB4C7_mC48_15_e_cef_e3f:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_15_e_2ae2f_2e9f:F-Fe-O, expected Fe7O20F to be Fe4O7F" +mp-780868,Fe4O7F,-7.3280058142,-1.459807082,0.1379872619,0.1379872619,GGA+U,Cmc2_1,AB4C7_oC48_36_a_2ab_3a2b:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_oC48_36_a_4ab_5a4b:F-Fe-O, expected Fe6O13F to be Fe4O7F" +mp-780870,Fe4O7F,-7.3237621333,-1.4555634011,0.1422309427,0.1422309427,GGA+U,Amm2,AB4C7_oC48_38_ab_2a2bde_3a3b2f:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_oC48_38_ab_2a2bde_3a3b4f:F-Fe-O, expected Fe4O11F to be Fe4O7F" +mp-754194,Fe4O7F,-7.3275802933,-1.4593815611,0.1384127827,0.1384127827,GGA+U,Amm2,AB4C7_oC24_38_a_abc_a2bf:F-Fe-O,12.0,AB4C7_oC24_38_a_abc_a2bf:F-Fe-O +mp-759590,Fe4O7F,-7.3295321892,-1.461333457,0.1364608869,0.1364608869,GGA+U,Imm2,AB4C7_oI24_44_a_abc_a2be:F-Fe-O,12.0,AB4C7_oI24_44_a_abc_a2be:F-Fe-O +mp-1178327,Fe4O7F,-7.3278882775,-1.4596895453,0.1381047986,0.1381047986,GGA+U,Pmmn,AB4C7_oP24_59_a_abe_a2bg:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_oP24_59_a_2ab2e_2a4b2g:F-Fe-O, expected Fe7O14F to be Fe4O7F" +mp-850933,Fe4O7F,-7.3214734246,-1.4532746924,0.1445196515,0.1445196515,GGA+U,Cmcm,AB4C7_oC48_63_c_2cg_3ch:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_oC48_63_c_3c2g_6c2h:F-Fe-O, expected Fe7O14F to be Fe4O7F" +mp-764884,Fe4O7F,-7.3280456971,-1.4598469649,0.137947379,0.137947379,GGA+U,Cmcm,AB4C7_oC48_63_c_acf_cfh:F-Fe-O,24.0,"Invalid WP multiplicities - AB4C7_oC48_63_c_acf_2c3fh:F-Fe-O, expected Fe4O12F to be Fe4O7F" +mp-755518,Fe6O7F5,-7.1873683939,-1.9093493341,0.095803172,0.095803172,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-756101,Fe6O7F5,-7.1679877728,-1.889968713,0.1151837931,0.1151837931,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-756004,Fe6O7F5,-7.1715470356,-1.8935279758,0.1116245303,0.1116245303,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755145,Fe6O7F5,-7.1812085261,-1.9031894663,0.1019630398,0.1019630398,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755729,Fe6O7F5,-7.1702284972,-1.8922094374,0.1129430687,0.1129430687,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755330,Fe6O7F5,-7.1763179594,-1.8982988997,0.1068536065,0.1068536065,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755997,Fe6O7F5,-7.179165165,-1.9011461052,0.1040064009,0.1040064009,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755101,Fe6O7F5,-7.1899778889,-1.9119588291,0.093193677,0.093193677,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755131,Fe6O7F5,-7.1650974806,-1.8870784208,0.1180740853,0.1180740853,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-756120,Fe6O7F5,-7.1868263211,-1.9088072613,0.0963452448,0.0963452448,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-779894,Fe6O7F5,-7.1763810317,-1.8983619719,0.1067905342,0.1067905342,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Fe-O +mp-755923,Fe6O7F5,-7.1942061828,-1.916187123,0.0889653831,0.0889653831,GGA+U,C2,A5B6C7_mC36_5_a2c_ab2c_a3c:F-Fe-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_5_a3c_ab3c_a3c:F-Fe-O, expected Fe8(OF)7 to be Fe6O7F5" +mp-779897,Fe6O7F5,-7.1896926394,-1.9116735797,0.0934789265,0.0934789265,GGA+U,C2,A5B6C7_mC36_5_a2c_ab2c_a3c:F-Fe-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_5_a4c_ab4c_a5c:F-Fe-O, expected Fe10O11F9 to be Fe6O7F5" +mp-780489,Fe6O7F5,-7.1920790139,-1.9140599541,0.091092552,0.091092552,GGA+U,Pm,A5B6C7_mP18_6_a2bc_ab2c_a3c:F-Fe-O,18.0,A5B6C7_mP18_6_a2bc_ab2c_a3c:F-Fe-O +mp-756208,Fe6O7F5,-7.1759612383,-1.8979421785,0.1072103276,0.1072103276,GGA+U,Cm,A5B6C7_mC36_8_5a_6a_a3b:F-Fe-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_8_5a_6a_a5b:F-Fe-O, expected Fe6O11F5 to be Fe6O7F5" +mp-755963,Fe6O7F5,-7.1758654028,-1.897846343,0.1073061631,0.1073061631,GGA+U,Amm2,A5B6C7_oC36_38_a2c_ab2c_aef:F-Fe-O,18.0,"Invalid WP multiplicities - A5B6C7_oC36_38_a2c_ab2c_a2e2f:F-Fe-O, expected Fe6O13F5 to be Fe6O7F5" +mp-777811,Fe3(OF3)2,-6.4361491559,-2.1841205325,0.1230448743,0.1230448743,GGA+U,P2_1/c,A6B3C2_mP22_14_3e_ae_e:F-Fe-O,22.0,"Invalid WP multiplicities - A6B3C2_mP22_14_9e_2a2e_e:F-Fe-O, expected Fe3OF9 to be Fe3(OF3)2" +mp-850739,Fe3OF5,-6.8064090189,-2.3715037768,0.0637810407,0.0637810407,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Fe-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Fe-O +mp-755385,Fe3OF5,-6.8061605094,-2.3712552674,0.0640295501,0.0640295501,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Fe-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Fe-O +mp-755763,Fe3OF5,-6.8054868722,-2.3705816301,0.0647031873,0.0647031873,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Fe-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Fe-O +mp-754653,Fe3OF5,-6.8101181294,-2.3752128874,0.0600719301,0.0600719301,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Fe-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Fe-O +mp-781055,Fe3OF5,-6.7773462361,-2.342440994,0.0928438235,0.0928438235,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_9i_ae3i_i:F-Fe-O, expected Fe4OF9 to be Fe3OF5" +mp-850757,Fe3OF5,-6.7970083994,-2.3621031574,0.0731816601,0.0731816601,GGA+U,P-1,A5B3C_aP18_2_5i_ab2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_9i_ab3i_i:F-Fe-O, expected Fe4OF9 to be Fe3OF5" +mp-755341,Fe3OF5,-6.7875037744,-2.3525985324,0.0826862851,0.0826862851,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_10i_ae3i_i:F-Fe-O, expected Fe4OF10 to be Fe3OF5" +mp-753290,Fe3OF5,-6.7980140639,-2.3631088218,0.0721759957,0.0721759957,GGA+U,P2_1,A5B3C_mP18_4_5a_3a_a:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_4_10a_5a_a:F-Fe-O, expected Fe5OF10 to be Fe3OF5" +mp-1178337,Fe3OF5,-6.8209276972,-2.3860224551,0.0492623623,0.0492623623,GGA+U,Pm,A5B3C_mP18_6_5a5b_3a3b_ab:F-Fe-O,18.0,A5B3C_mP18_6_5a5b_3a3b_ab:F-Fe-O +mp-1178302,Fe3OF5,-6.7889290778,-2.3540238357,0.0812609818,0.0812609818,GGA+U,Cm,A5B3C_mC36_8_4a3b_6a_2a:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_8_4a5b_6a_2a:F-Fe-O, expected Fe3OF7 to be Fe3OF5" +mp-850223,Fe3OF5,-6.8222935989,-2.3873883568,0.0478964607,0.0478964607,GGA+U,P2/m,A5B3C_mP18_10_2m3n_cemn_m:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_10_3m6n_aem2n_m:F-Fe-O, expected Fe4OF9 to be Fe3OF5" +mp-779386,Fe3OF5,-6.7551888167000005,-2.3202835746,0.1150012429,0.1150012429,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_g3i2j_ad3i_i:F-Fe-O, expected Fe4OF8 to be Fe3OF5" +mp-779913,Fe3OF5,-6.8264176644,-2.3915124224,0.0437723951,0.0437723951,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g3i2j_ad3i_i:F-Fe-O, expected Fe4OF9 to be Fe3OF5" +mp-779987,Fe3OF5,-6.8144061917,-2.3795009496,0.0557838679,0.0557838679,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g4i3j_ad4i_i:F-Fe-O, expected Fe5OF12 to be Fe3OF5" +mp-1178303,Fe3OF5,-6.7843869411,-2.349481699,0.0858031185,0.0858031185,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ad2i_i:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g4i2j_ac2i_i:F-Fe-O, expected Fe3OF10 to be Fe3OF5" +mp-780496,Fe3OF5,-6.8232081117,-2.3883028696,0.0469819479,0.0469819479,GGA+U,Pmn2_1,A5B3C_oP18_31_5a_3a_a:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_oP18_31_10a_5a_a:F-Fe-O, expected Fe5OF10 to be Fe3OF5" +mp-779339,Fe3OF5,-6.7908000111,-2.355894769,0.0793900485,0.0793900485,GGA+U,Amm2,A5B3C_oC36_38_2acef_ab2c_c:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_oC36_38_2a2c2e3f_ab4c_c:F-Fe-O, expected Fe5OF11 to be Fe3OF5" +mp-762863,Fe3OF5,-6.8201328461,-2.385227604,0.0500572135,0.0500572135,GGA+U,Cmmm,A5B3C_oC36_65_2gjq_acgh_g:F-Fe-O,18.0,"Invalid WP multiplicities - A5B3C_oC36_65_4g2j3q_acg2h_g:F-Fe-O, expected Fe4OF12 to be Fe3OF5" +mp-774385,Fe5(OF4)2,-6.8360733,-2.3337189525,0.0701914385,0.0701914385,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-781954,Fe5(OF4)2,-6.8175865987,-2.3152322512,0.0886781398,0.0886781398,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-774995,Fe5(OF4)2,-6.828433363,-2.3260790155,0.0778313755,0.0778313755,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-777687,Fe5(OF4)2,-6.8358097513,-2.3334554038,0.0704549871,0.0704549871,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-777794,Fe5(OF4)2,-6.820759015,-2.3184046675,0.0855057235,0.0855057235,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-778603,Fe5(OF4)2,-6.8309091727,-2.3285548252,0.0753555658,0.0753555658,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-1178293,Fe5(OF4)2,-6.8363982423,-2.3340438948,0.0698664961,0.0698664961,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-1178402,Fe5(OF4)2,-6.8305118083,-2.3281574608,0.0757529301,0.0757529301,GGA+U,P1,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O,30.0,A8B5C2_aP30_1_16a_10a_4a:F-Fe-O +mp-777639,Fe5(OF4)2,-6.832836318,-2.3304819705,0.0734284205,0.0734284205,GGA+U,P-1,A8B5C2_aP30_2_8i_be4i_2i:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_aP30_2_15i_be6i_3i:F-Fe-O, expected Fe7(OF5)3 to be Fe5(OF4)2" +mp-1178262,Fe5(OF4)2,-6.813259324,-2.3109049765,0.0930054145,0.0930054145,GGA+U,P-1,A8B5C2_aP30_2_8i_ae4i_2i:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_aP30_2_15i_ae7i_3i:F-Fe-O, expected Fe8(OF5)3 to be Fe5(OF4)2" +mp-777737,Fe5(OF4)2,-6.8538523967,-2.3514980492,0.0524123418,0.0524123418,GGA+U,P2_1,A8B5C2_mP30_4_8a_5a_2a:F-Fe-O,30.0,A8B5C2_mP30_4_16a_10a_4a:F-Fe-O +mp-887511,Fe5(OF4)2,-6.8256706497,-2.3233163022,0.0805940888,0.0805940888,GGA+U,P2_1,A8B5C2_mP30_4_8a_5a_2a:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mP30_4_16a_10a_3a:F-Fe-O, expected Fe10O3F16 to be Fe5(OF4)2" +mp-887523,Fe5(OF4)2,-6.8315550273,-2.3292006798,0.0747097111,0.0747097111,GGA+U,C2,A8B5C2_mC60_5_2a7c_ab4c_2c:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mC60_5_2a12c_ab7c_2c:F-Fe-O, expected Fe8O2F13 to be Fe5(OF4)2" +mp-777739,Fe5(OF4)2,-6.8227519853,-2.3203976378,0.0835127531,0.0835127531,GGA+U,Pm,A8B5C2_mP30_6_ab7c_ab4c_abc:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mP30_6_ab11c_ab6c_abc:F-Fe-O, expected Fe7(OF6)2 to be Fe5(OF4)2" +mp-777829,Fe5(OF4)2,-6.820558347,-2.3182039995,0.0857063915,0.0857063915,GGA+U,P2_1/c,A8B5C2_mP30_14_4e_a2e_e:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mP30_14_16e_2a6e_e:F-Fe-O, expected Fe7OF16 to be Fe5(OF4)2" +mp-777833,Fe5(OF4)2,-6.828705176,-2.3263508285,0.0775595625,0.0775595625,GGA+U,P2_1/c,A8B5C2_mP30_14_4e_a2e_e:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mP30_14_16e_2a6e_e:F-Fe-O, expected Fe7OF16 to be Fe5(OF4)2" +mp-779369,Fe5(OF4)2,-6.8000072727,-2.2976529252,0.1062574658,0.1062574658,GGA+U,P2_1/c,A8B5C2_mP30_14_4e_a2e_e:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_mP30_14_16e_2a7e_e:F-Fe-O, expected Fe8OF16 to be Fe5(OF4)2" +mp-1178269,Fe5(OF4)2,-6.8094106183,-2.3070562708,0.0968541201,0.0968541201,GGA+U,Pmn2_1,A8B5C2_oP30_31_2a3b_a2b_b:F-Fe-O,30.0,"Invalid WP multiplicities - A8B5C2_oP30_31_4a8b_2a7b_b:F-Fe-O, expected Fe8OF10 to be Fe5(OF4)2" +mp-782635,Fe3(O2F)2,-7.2173721056,-1.7707302822000002,0.1180341775,0.1180341775,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O +mp-755992,Fe3(O2F)2,-7.2319732861,-1.7853314628,0.103432997,0.103432997,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O +mp-756001,Fe3(O2F)2,-7.2247829872,-1.7781411639,0.1106232959,0.1106232959,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O +mp-755846,Fe3(O2F)2,-7.2194301072,-1.7727882839,0.1159761759,0.1159761759,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Fe-O +mp-782638,Fe3(O2F)2,-7.2340342833,-1.78739246,0.1013719998,0.1013719998,GGA+U,P-1,A2B3C4_aP18_2_2i_ae2i_4i:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ae2i_8i:F-Fe-O, expected Fe3O8F3 to be Fe3(O2F)2" +mp-756055,Fe3(O2F)2,-7.2349689472,-1.7883271239,0.1004373359,0.1004373359,GGA+U,P-1,A2B3C4_aP18_2_2i_ab2i_4i:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ab3i_6i:F-Fe-O, expected Fe4(O2F)3 to be Fe3(O2F)2" +mp-756047,Fe3(O2F)2,-7.2145959783,-1.767954155,0.1208103048,0.1208103048,GGA+U,P-1,A2B3C4_aP18_2_2i_ae2i_4i:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ae3i_7i:F-Fe-O, expected Fe4O7F3 to be Fe3(O2F)2" +mp-755406,Fe3(O2F)2,-7.2166478517,-1.7700060283,0.1187584314,0.1187584314,GGA+U,P2_1,A2B3C4_mP18_4_2a_3a_4a:F-Fe-O,18.0,A2B3C4_mP18_4_4a_6a_8a:F-Fe-O +mp-850393,Fe3(O2F)2,-7.2220692833,-1.77542746,0.1133369998,0.1133369998,GGA+U,C2,A2B3C4_mC36_5_2c_ab2c_2a3c:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_5_2c_ab2c_2a5c:F-Fe-O, expected Fe3(O3F)2 to be Fe3(O2F)2" +mp-1178311,Fe3(O2F)2,-7.2237473911,-1.7771055678,0.111658892,0.111658892,GGA+U,C2,A2B3C4_mC36_5_2c_ab2c_2a3c:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_5_3c_ab3c_2a4c:F-Fe-O, expected Fe4O5F3 to be Fe3(O2F)2" +mp-755601,Fe3(O2F)2,-7.2319820272,-1.7853402039,0.1034242559,0.1034242559,GGA+U,Cm,A2B3C4_mC36_8_4a_6a_2a3b:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_8_4a_6a_2a5b:F-Fe-O, expected Fe3(O3F)2 to be Fe3(O2F)2" +mp-850422,Fe3(O2F)2,-7.2493761322,-1.8027343089,0.0860301509,0.0860301509,GGA+U,C2/m,A2B3C4_mC36_12_2i_ac2i_gij:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_12_4i_ad4i_2gi3j:F-Fe-O, expected Fe5O9F4 to be Fe3(O2F)2" +mp-755310,Fe3(O2F)2,-7.2349527778,-1.7883109544,0.1004535053,0.1004535053,GGA+U,C2/m,A2B3C4_mC36_12_2i_ad2i_gij:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_12_3i_ac4i_2g2i3j:F-Fe-O, expected Fe5O10F3 to be Fe3(O2F)2" +mp-850901,Fe3(O2F)2,-7.2288269683,-1.782185145,0.1065793148,0.1065793148,GGA+U,P2_1/c,A2B3C4_mP18_14_e_ae_2e:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mP18_14_e_2ae_7e:F-Fe-O, expected Fe2O7F to be Fe3(O2F)2" +mp-755230,Fe3(O2F)2,-7.2024776672,-1.7558358439,0.1329286159,0.1329286159,GGA+U,P2_1/c,A2B3C4_mP18_14_e_ae_2e:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_mP18_14_e_2a3e_6e:F-Fe-O, expected Fe4O6F to be Fe3(O2F)2" +mp-1178310,Fe3(O2F)2,-7.2190875478,-1.7724457244,0.1163187353,0.1163187353,GGA+U,Pmn2_1,A2B3C4_oP18_31_b_ab_2ab:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_oP18_31_b_a2b_3ab:F-Fe-O, expected Fe5O5F2 to be Fe3(O2F)2" +mp-755700,Fe3(O2F)2,-7.2363556772,-1.7897138539,0.0990506059,0.0990506059,GGA+U,Pnnm,A2B3C4_oP18_58_g_ag_2g:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_oP18_58_g_2a2g_7g:F-Fe-O, expected Fe3O7F to be Fe3(O2F)2" +mp-755863,Fe3(O2F)2,-7.2096040072,-1.7629621839,0.1258022759,0.1258022759,GGA+U,Cmmm,A2B3C4_oC36_65_gj_acgh_2gq:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_oC36_65_gj_ac2g2h_3g3q:F-Fe-O, expected Fe5O9F2 to be Fe3(O2F)2" +mp-755567,Fe3(O2F)2,-7.2285135094,-1.7818716861,0.1068927736,0.1068927736,GGA+U,P4_2/mnm,A2B3C4_tP18_136_f_ae_j:F-Fe-O,18.0,"Invalid WP multiplicities - A2B3C4_tP18_136_f_2a3e_j:F-Fe-O, expected Fe4O2F to be Fe3(O2F)2" +mp-725456,Li2Sn(OF3)2,-4.6867417482,-2.0331354922,0.4459675184,0.4459675184,GGA,C2/m,A6B2C2D_mC22_12_ij_f_i_a:F-Li-O-Sn,11.0,A6B2C2D_mC22_12_ij_e_i_a:F-Li-O-Sn +mp-29590,Sn2OF5,-5.4524906831,-2.6370872758,0.0,-0.01774017,GGA,C2/m,A5BC2_mC32_12_3ij_g_aci:F-O-Sn,16.0,A5BC2_mC32_12_3ij_g_aci:F-O-Sn +mp-1205739,Li2SnF6,-5.1740471678,-3.0300147907,0.0,-0.1176424444,GGA,P-31m,A6B2C_hP9_162_k_c_b:F-Li-Sn,9.0,A6B2C_hP9_162_k_c_b:F-Li-Sn +mp-27480,Sn2OF2,-5.564225162,-2.2064670908,0.0,-0.0081430758,GGA,C2/m,A2BC2_mC20_12_j_i_gi:F-O-Sn,10.0,A2BC2_mC20_12_j_i_gi:F-O-Sn +mp-753683,Sn2OF2,-5.5192158615,-2.1614577903,0.0450093005,0.0368662247,GGA,P4_2/nmc,A2BC2_tP20_137_f_d_g:F-O-Sn,20.0,A2BC2_tP20_137_f_d_g:F-O-Sn +mp-753246,Sn3(OF)2,-5.6726861114,-1.9948216939,0.0470372421,0.0470372421,GGA,Pnma,A2B2C3_oP28_62_2c_d_3c:F-O-Sn,28.0,"Invalid WP multiplicities - A2B2C3_oP28_62_5c_d_9c:F-O-Sn, expected Sn9O2F5 to be Sn3(OF)2" +mp-753564,Sn3(OF)2,-5.6624534554,-1.9845890379,0.0572698982,0.0572698982,GGA,Pnma,A2B2C3_oP28_62_2c_d_3c:F-O-Sn,28.0,"Invalid WP multiplicities - A2B2C3_oP28_62_5c_d_9c:F-O-Sn, expected Sn9O2F5 to be Sn3(OF)2" +mp-760054,Sn9(O2F5)2,-5.4159985146,-2.1556641139,0.0982457601,0.0982457601,GGA,P4/n,A10B4C9_tP46_85_ac2g_g_c2g:F-O-Sn,46.0,"Invalid WP multiplicities - A10B4C9_tP46_85_2a2c15g_g_2c15g:F-O-Sn, expected Sn31(OF16)2 to be Sn9(O2F5)2" +mp-760170,Sn13(O5F3)2,-5.7809350681,-1.8823076532,0.0460284176,0.0460284176,GGA,C2/c,A6B10C13_mC116_15_3f_5f_e6f:F-O-Sn,58.0,"Invalid WP multiplicities - A6B10C13_mC116_15_9f_19f_2e23f:F-O-Sn, expected Sn24O19F9 to be Sn13(O5F3)2" +mp-28932,Sn4OF6,-5.3552141784,-2.4048641842,0.0,-0.0002926798,GGA,P2_12_12_1,A6BC4_oP44_19_6a_a_4a:F-O-Sn,44.0,A6BC4_oP44_19_6a_a_4a:F-O-Sn +mp-626024,H2SeO4,-5.3986787146,-1.1032332271,0.0015832118,-0.0135949355,GGA,P2_1,A2B4C_mP28_4_4a_8a_2a:H-O-Se,28.0,A2B4C_mP28_4_4a_8a_2a:H-O-Se +mp-23866,H2SeO4,-5.4002619264,-1.1048164389,0.0,-0.0151781473,GGA,P2_12_12_1,A2B4C_oP28_19_2a_4a_a:H-O-Se,28.0,"Invalid WP multiplicities - A2B4C_oP28_19_2a_9a_a:H-O-Se, expected H2SeO9 to be H2SeO4" +mp-1106073,BiH(SeO3)2,-5.736992583,-1.3464755432,0.042604038,0.042604038,GGA,Cc,ABC6D2_mC40_9_a_a_6a_2a:Bi-H-O-Se,20.0,ABC6D2_mC40_9_a_a_6a_2a:Bi-H-O-Se +mp-774848,H10SeO8,-5.2790982268,-1.2266412996,0.0,-0.0049032861,GGA,Pnma,A10B8C_oP76_62_5d_2c3d_c:H-O-Se,76.0,"Invalid WP multiplicities - A10B8C_oP76_62_17d_6c11d_c:H-O-Se, expected H34SeO28 to be H10SeO8" +mp-1102846,H2SeO3,-5.3941687392,-1.2072637889,0.0112591062,0.0112591062,GGA,P1,A2B3C_aP12_1_4a_6a_2a:H-O-Se,12.0,A2B3C_aP12_1_4a_6a_2a:H-O-Se +mp-27996,H2SeO3,-5.4019838054,-1.2150788552,0.00344404,0.00344404,GGA,P2_12_12_1,A2B3C_oP24_19_2a_3a_a:H-O-Se,24.0,"Invalid WP multiplicities - A2B3C_oP24_19_2a_6a_a:H-O-Se, expected H2SeO6 to be H2SeO3" +mp-984050,BiH3,-2.88104871,0.6236181062,0.6236181062,0.6236181062,GGA,I4/mmm,AB3_tI8_139_a_bd:Bi-H,4.0,AB3_tI8_139_a_bd:Bi-H +mp-720376,H4SeO5,-5.3474795288,-1.1674536074,0.0,-0.0047703596,GGA,Pbca,A4B5C_oP80_61_4c_5c_c:H-O-Se,80.0,A4B5C_oP80_61_4c_5c_c:H-O-Se +mp-542464,Ga2H6(SeO4)3,-5.6442705807,-1.4590293944,0.0055070041,0.0055070041,GGA,R3c,A2B6C12D3_hR138_161_2a_2b_4b_b:Ga-H-O-Se,46.0,A2B6C12D3_hR138_161_2a_2b_4b_b:Ga-H-O-Se +mp-673411,GaHO2,-5.7165867025,-1.63803683,0.2617999712,0.2613334559,GGA,P1,ABC2_aP16_1_4a_4a_8a:Ga-H-O,16.0,ABC2_aP16_1_4a_4a_8a:Ga-H-O +mp-673402,GaHO2,-5.7112055306,-1.6326556581,0.2671811431,0.2667146278,GGA,P1,ABC2_aP16_1_4a_4a_8a:Ga-H-O,16.0,"Invalid WP multiplicities - ABC2_oF64_43_3a_b_2b:Ga-H-O, expected Ga3(HO2)2 to be GaHO2" +mp-23803,GaHO2,-5.9630498925,-1.88450002,0.0153367812,0.0148702659,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Ga-H-O,8.0,ABC2_oP8_31_a_a_2a:Ga-H-O +mp-625621,GaHO2,-5.7395200306,-1.6609701581,0.2388666431,0.2384001278,GGA,Fdd2,ABC2_oF64_43_b_b_2b:Ga-H-O,16.0,ABC2_oF64_43_b_b_2b:Ga-H-O +mp-625628,GaHO2,-5.7384394825000005,-1.65988961,0.2399471912,0.2394806759,GGA,Fdd2,ABC2_oF64_43_2a_b_2b:Ga-H-O,16.0,"Invalid WP multiplicities - ABC2_oF64_43_3a_b_2b:Ga-H-O, expected Ga3(HO2)2 to be GaHO2" +mp-634326,GaHO2,-5.9783866737,-1.8998368012,0.0,-0.0004665153,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ga-H-O,16.0,ABC2_oP16_62_c_c_2c:Ga-H-O +mp-859127,GaHO2,-5.9133600681,-1.8348101956,0.0650266056,0.0645600903,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ga-H-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_5c:Ga-H-O, expected GaHO5 to be GaHO2" +mp-1194398,GaHSeO4,-5.8524296082,-1.6090741239000002,0.0,-0.0047124279,GGA,Pnma,ABC4D_oP28_62_a_c_2cd_c:Ga-H-O-Se,28.0,ABC4D_oP28_62_a_c_2cd_c:Ga-H-O-Se +mp-626729,Ga(HO)3,-5.6286964007,-1.6220763591,0.0129963932,0.0129963932,GGA,R-3,AB3C3_hR84_148_ae_2f_2f:Ga-H-O,28.0,"Invalid WP multiplicities - AB3C3_hR84_148_a2e_8f_8f:Ga-H-O, expected Ga7(HO)48 to be Ga(HO)3" +mp-752513,Co3OF5,-6.0379455717,-2.0569414679,0.0830277706,0.0830277706,GGA+U,P1,A3B5C_aP18_1_6a_10a_2a:Co-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Co-F-O +mp-755430,Co3OF5,-6.0549832378,-2.073979134,0.0659901044,0.0659901044,GGA+U,P1,A3B5C_aP18_1_6a_10a_2a:Co-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Co-F-O +mp-756429,Co3OF5,-6.0548947828,-2.073890679,0.0660785594,0.0660785594,GGA+U,P1,A3B5C_aP18_1_6a_10a_2a:Co-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Co-F-O +mp-881063,Co3OF5,-6.0322271767,-2.0512230729,0.0887461656,0.0887461656,GGA+U,P1,A3B5C_aP18_1_6a_10a_2a:Co-F-O,18.0,A3B5C_aP18_1_6a_10a_2a:Co-F-O +mp-849316,Co3OF5,-6.0658084667,-2.0848043629,0.0551648756,0.0551648756,GGA+U,P-1,A3B5C_aP18_2_ae2i_5i_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ae2i_9i_i:Co-F-O, expected Co3OF9 to be Co3OF5" +mp-754286,Co3OF5,-6.0687973628,-2.087793259,0.0521759794,0.0521759794,GGA+U,P-1,A3B5C_aP18_2_ab2i_5i_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ab3i_10i_i:Co-F-O, expected Co4OF10 to be Co3OF5" +mp-755982,Co3OF5,-5.9829005894,-2.0018964857,0.1380727528,0.1380727528,GGA+U,P-1,A3B5C_aP18_2_ae2i_5i_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ae4i_9i_i:Co-F-O, expected Co5OF9 to be Co3OF5" +mp-780865,Co3OF5,-6.0615347439,-2.0805306401,0.0594385983,0.0594385983,GGA+U,P2_1,A3B5C_mP18_4_3a_5a_a:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mP18_4_6a_10a_a:Co-F-O, expected Co6OF10 to be Co3OF5" +mp-782663,Co3OF5,-6.0576055661,-2.0766014624,0.0633677761,0.0633677761,GGA+U,Pm,A3B5C_mP18_6_3a3b_5a5b_ab:Co-F-O,18.0,A3B5C_mP18_6_3a3b_5a5b_ab:Co-F-O +mp-763249,Co3OF5,-6.0633162011,-2.0823120974,0.0576571411,0.0576571411,GGA+U,Cm,A3B5C_mC36_8_6a_4a3b_2a:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mC36_8_6a_4a5b_2a:Co-F-O, expected Co3OF7 to be Co3OF5" +mp-755744,Co3OF5,-6.058488885,-2.0774847812,0.0624844572,0.0624844572,GGA+U,P2/m,A3B5C_mP18_10_cemn_2m3n_m:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mP18_10_aem2n_3m6n_m:Co-F-O, expected Co4OF9 to be Co3OF5" +mp-763206,Co3OF5,-5.9846837967,-2.0036796929,0.1362895456,0.1362895456,GGA+U,C2/m,A3B5C_mC36_12_ac2i_g2ij_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mC36_12_ad3i_g4i2j_i:Co-F-O, expected Co4OF9 to be Co3OF5" +mp-777377,Co3OF5,-6.05395982,-2.0729557163,0.0670135222,0.0670135222,GGA+U,C2/m,A3B5C_mC36_12_ad2i_g2ij_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mC36_12_ac2i_2g3i2j_i:Co-F-O, expected Co3OF9 to be Co3OF5" +mp-755897,Co3OF5,-6.0433965467,-2.0623924429,0.0775767956,0.0775767956,GGA+U,C2/m,A3B5C_mC36_12_ac2i_g2ij_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mC36_12_ad4i_2g3i3j_i:Co-F-O, expected Co5OF11 to be Co3OF5" +mp-760941,Co3OF5,-6.0546976256,-2.0736935218,0.0662757167,0.0662757167,GGA+U,C2/m,A3B5C_mC36_12_ac2i_g2ij_i:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_mC36_12_ad3i_2g3i2j_i:Co-F-O, expected Co4OF9 to be Co3OF5" +mp-758748,Co3OF5,-6.0652297033,-2.0842255996,0.0557436389,0.0557436389,GGA+U,Pmn2_1,A3B5C_oP18_31_ab_a2b_a:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_oP18_31_2ab_2a3b_a:Co-F-O, expected Co4OF8 to be Co3OF5" +mp-763417,Co3OF5,-6.0476441072,-2.0666400035,0.073329235,0.073329235,GGA+U,Pmn2_1,A3B5C_oP18_31_3a_5a_a:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_oP18_31_5a_10a_a:Co-F-O, expected Co5OF10 to be Co3OF5" +mp-755475,Co3OF5,-6.0717475028,-2.090743399,0.0492258394,0.0492258394,GGA+U,Amm2,A3B5C_oC36_38_ab2c_2acef_c:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_oC36_38_ab4c_2a2c2ef_c:Co-F-O, expected Co5OF7 to be Co3OF5" +mp-760177,Co3OF5,-6.0690457017,-2.0880415979,0.0519276406,0.0519276406,GGA+U,Cmmm,A3B5C_oC36_65_acgh_2gjq_g:Co-F-O,18.0,"Invalid WP multiplicities - A3B5C_oC36_65_ac2gh_4hi3p_h:Co-F-O, expected Co4OF11 to be Co3OF5" +mp-763328,Co4OF11,-5.359416485,-1.9590272016,0.1011418609,0.1011418609,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Co-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Co-F-O +mp-1201801,Np2Co(O4F5)2,-6.2430922307,-1.8767981106,0.4297496079,0.4297496079,GGA+U,P2_1/c,AB10C2D8_mP42_14_a_5e_e_4e:Co-F-Np-O,42.0,AB10C2D8_mP42_14_a_5e_e_4e:Co-F-Np-O +mp-1213782,Co(O2F)2,-4.5849556593,-0.1966655771,0.8111774171,0.8111774171,GGA+U,Pca2_1,AB2C4_oP28_29_a_2a_4a:Co-F-O,28.0,AB2C4_oP28_29_a_2a_4a:Co-F-O +mp-754785,Co6O5F7,-6.1769072917,-1.6900348973,0.1324377189,0.1324377189,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-754775,Co6O5F7,-6.1982769344,-1.7114045401,0.1110680761,0.1110680761,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-760082,Co6O5F7,-6.1867561956,-1.6998838012,0.122588815,0.122588815,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-760065,Co6O5F7,-6.1598386383,-1.672966244,0.1495063722,0.1495063722,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-752587,Co6O5F7,-6.1909158289,-1.7040434345,0.1184291817,0.1184291817,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-752795,Co6O5F7,-6.2130649556,-1.7261925612,0.096280055,0.096280055,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-754934,Co6O5F7,-6.1948005622,-1.7079281678,0.1145444483,0.1145444483,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-1178435,Co6O5F7,-6.2035666456,-1.7166942512,0.105778365,0.105778365,GGA+U,P1,A6B7C5_aP18_1_6a_7a_5a:Co-F-O,18.0,A6B7C5_aP18_1_6a_7a_5a:Co-F-O +mp-752440,Co6O5F7,-6.2055371106,-1.7186647162000002,0.1038079,0.1038079,GGA+U,C2,A6B7C5_mC36_5_ab2c_a3c_a2c:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_mC36_5_ab2c_a3c_a4c:Co-F-O, expected Co6O9F7 to be Co6O5F7" +mp-754465,Co6O5F7,-6.1804582717,-1.6935858773,0.1288867389,0.1288867389,GGA+U,C2,A6B7C5_mC36_5_ab2c_a3c_a2c:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_mC36_5_ab3c_a4c_a4c:Co-F-O, expected Co8(OF)9 to be Co6O5F7" +mp-1178432,Co6O5F7,-6.1952719578,-1.7083995634,0.1140730528,0.1140730528,GGA+U,C2,A6B7C5_mC36_5_ab2c_a3c_a2c:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_mC36_5_ab3c_a6c_a3c:Co-F-O, expected Co8O7F13 to be Co6O5F7" +mp-759253,Co6O5F7,-6.1965579344,-1.7096855401000002,0.1127870761,0.1127870761,GGA+U,Pm,A6B7C5_mP18_6_ab2c_a3c_a2bc:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_mP18_6_ab2c_a3c_a2b2c:Co-F-O, expected Co6(OF)7 to be Co6O5F7" +mp-760047,Co6O5F7,-6.1794699133,-1.692597519,0.1298750972,0.1298750972,GGA+U,Cm,A6B7C5_mC36_8_6a_3a2b_3ab:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_mC36_8_6a_3a3b_3a2b:Co-F-O, expected Co6O7F9 to be Co6O5F7" +mp-763905,Co6O5F7,-6.1922642528,-1.7053918584,0.1170807578,0.1170807578,GGA+U,Amm2,A6B7C5_oC36_38_ab2c_aef_a2c:Co-F-O,18.0,"Invalid WP multiplicities - A6B7C5_oC36_38_ab2c_a2e2f_a2c:Co-F-O, expected Co6O5F13 to be Co6O5F7" +mp-754738,Co2O3F,-6.4369750763,-1.2756116277,0.1235321587,0.1235321587,GGA+U,P1,A2BC3_aP24_1_8a_4a_12a:Co-F-O,24.0,A2BC3_aP24_1_8a_4a_12a:Co-F-O +mp-765729,Co2O3F,-6.4419718139,-1.2806083653,0.1185354211,0.1185354211,GGA+U,C2,A2BC3_mC36_5_ab2c_ac_a4c:Co-F-O,18.0,"Invalid WP multiplicities - A2BC3_mC36_5_ab3c_ac_a7c:Co-F-O, expected Co8(O5F)3 to be Co2O3F" +mp-778816,Co2O3F,-6.4673036579,-1.3059402094,0.0932035771,0.0932035771,GGA+U,C2,A2BC3_mC48_5_ab3c_abc_ab5c:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_5_ab5c_ab2c_ab9c:Co-F-O, expected Co6O10F3 to be Co2O3F" +mp-1642629,Co2O3F,-6.4594730525,-1.298109604,0.1010341825,0.1010341825,GGA+U,Cm,A2BC3_mC48_8_8a_4a_4a4b:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_8_8a_4a_4a8b:Co-F-O, expected Co2O5F to be Co2O3F" +mp-781605,Co2O3F,-6.4527770079,-1.2914135594,0.1077302271,0.1077302271,GGA+U,C2/m,A2BC3_mC48_12_abij_2i_2i2j:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_ab2i2j_4i_4i6j:Co-F-O, expected Co7(O4F)4 to be Co2O3F" +mp-755422,Co2O3F,-6.4250053646,-1.263641916,0.1355018704,0.1355018704,GGA+U,C2/m,A2BC3_mC48_12_ad3i_gi_h3ij:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_ac4i_gi_h6i3j:Co-F-O, expected Co5O13F2 to be Co2O3F" +mp-776570,Co2O3F,-6.4600737546,-1.298710306,0.1004334804,0.1004334804,GGA+U,C2/m,A2BC3_mC48_12_eg2i_2i_2i2j:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_2e2h3i_4i_4i7j:Co-F-O, expected Co7(O9F2)2 to be Co2O3F" +mp-780108,Co2O3F,-6.4527924583,-1.2914290098,0.1077147767,0.1077147767,GGA+U,C2/m,A2BC3_mC48_12_abij_2i_2i2j:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_abij_3i_4i6j:Co-F-O, expected Co4O16F3 to be Co2O3F" +mp-1299522,Co2O3F,-6.4337577108,-1.2723942623,0.1267495242,0.1267495242,GGA+U,C2/m,A2BC3_mC24_12_aci_i_ghi:Co-F-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_aci_i_2g2h2i:Co-F-O, expected Co2O6F to be Co2O3F" +mp-1650463,Co2O3F,-6.4603916146,-1.299028166,0.1001156204,0.1001156204,GGA+U,C2/m,A2BC3_mC48_12_2ij_2i_2i2j:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_aP24_2_6i_2i_9i:Co-F-O, expected Co6O9F2 to be Co2O3F" +mp-1639208,Co2O3F,-6.4676032412,-1.3062397927,0.0929039937,0.0929039937,GGA+U,C2/m,A2BC3_mC48_12_ac3i_2i_gh2ij:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_mC48_12_ac3i_3i_2g2h3ij:Co-F-O, expected Co4(O3F)3 to be Co2O3F" +mp-1642011,Co2O3F,-6.4490611575,-1.287697709,0.1114460775,0.1114460775,GGA+U,C2/c,A2BC3_mC48_15_2ef_f_4ef:Co-F-O,24.0,A2BC3_oC48_64_ef_f_2ef:Co-F-O +mp-1638658,Co2O3F,-6.4678018392,-1.3064383906,0.0927053958,0.0927053958,GGA+U,Cmc2_1,A2BC3_oC48_36_4a_2a_2a2b:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_36_4a_4a_4a2b:Co-F-O, expected CoO2F to be Co2O3F" +mp-759484,Co2O3F,-6.4493079637,-1.2879445151,0.1111992713,0.1111992713,GGA+U,Amm2,A2BC3_oC60_38_ab4c_a2c_a2ce2f:Co-F-O,30.0,"Invalid WP multiplicities - A2BC3_oC60_38_ab7c_a2c_a3c2e5f:Co-F-O, expected Co16O31F5 to be Co2O3F" +mp-752977,Co2O3F,-6.4460552478,-1.2846917992,0.1144519872,0.1144519872,GGA+U,Amm2,A2BC3_oC36_38_ab2c_ac_acef:Co-F-O,18.0,"Invalid WP multiplicities - A2BC3_oC36_38_ab2c_ac_ace2f:Co-F-O, expected Co6O13F3 to be Co2O3F" +mp-777572,Co2O3F,-6.4502459217,-1.2888824731,0.1102613133,0.1102613133,GGA+U,Amm2,A2BC3_oC60_38_ab4c_a2c_a2ce2f:Co-F-O,30.0,"Invalid WP multiplicities - A2BC3_oC60_38_ab6c_a3c_a4c2e5f:Co-F-O, expected Co14O33F7 to be Co2O3F" +mp-765681,Co2O3F,-6.4551737746,-1.293810326,0.1053334604,0.1053334604,GGA+U,Amm2,A2BC3_oC48_38_ab3c_abc_abc2f:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_38_ab3c_abc_abc4f:Co-F-O, expected Co2O5F to be Co2O3F" +mp-780324,Co2O3F,-6.4650544083,-1.3036909598,0.0954528267,0.0954528267,GGA+U,Amm2,A2BC3_oC60_38_ab4c_a2c_a2ce2f:Co-F-O,30.0,"Invalid WP multiplicities - A2BC3_oC60_38_ab5c_a2c_a2c2e7f:Co-F-O, expected Co12O37F5 to be Co2O3F" +mp-1639132,Co2O3F,-6.4567413908,-1.2953779423,0.1037658442,0.1037658442,GGA+U,Amm2,A2BC3_oC48_38_ab3c_2c_2cdef:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_38_ab3c_2c_2c2d2ef:Co-F-O, expected Co2O4F to be Co2O3F" +mp-1638951,Co2O3F,-6.468824805,-1.3074613565,0.09168243,0.09168243,GGA+U,Aem2,A2BC3_oC48_39_ab2c_2c_2a2b2c:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_39_2ab2c_4c_2a2b4c:Co-F-O, expected Co5(O2F)4 to be Co2O3F" +mp-1308239,Co2O3F,-6.4516058292,-1.2902423806,0.1089014058,0.1089014058,GGA+U,Ima2,A2BC3_oI24_46_2b_b_bc:Co-F-O,12.0,"Invalid WP multiplicities - A2BC3_oI24_74_2a2e_e_ef:Co-F-O, expected Co4O3F to be Co2O3F" +mp-778193,Co2O3F,-6.4166193008,-1.2552558523,0.1438879342,0.1438879342,GGA+U,Cmcm,A2BC3_oC24_63_ac_c_ce:Co-F-O,12.0,"Invalid WP multiplicities - A2BC3_oC24_63_ac_c_2ce:Co-F-O, expected Co2O4F to be Co2O3F" +mp-758867,Co2O3F,-6.4713619204,-1.3099984719,0.0891453146,0.0891453146,GGA+U,Cmcm,A2BC3_oC48_63_acf_f_efg:Co-F-O,24.0,A2BC3_oC48_63_acf_f_efg:Co-F-O +mp-850970,Co2O3F,-6.477162395,-1.3157989465,0.08334484,0.08334484,GGA+U,Cmce,A2BC3_oC48_64_ef_f_2ef:Co-F-O,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_2e2f_f_2ef:Co-F-O, expected Co4O3F to be Co2O3F" +mp-1178456,Co2O3F,-6.457622765,-1.2962593165,0.10288447,0.10288447,GGA+U,Imma,A2BC3_oI24_74_ae_e_ef:Co-F-O,12.0,A2BC3_oI24_74_ae_e_ef:Co-F-O +mp-780556,Co2OF3,-6.090729488,-1.9411026207,0.0930344103,0.0930344103,GGA+U,P1,A2B3C_aP30_1_10a_15a_5a:Co-F-O,30.0,A2B3C_aP30_1_10a_15a_5a:Co-F-O +mp-774380,Co2OF3,-6.0844575787,-1.9348307114,0.0993063197,0.0993063197,GGA+U,P1,A2B3C_aP30_1_10a_15a_5a:Co-F-O,30.0,A2B3C_aP30_1_10a_15a_5a:Co-F-O +mp-754860,Co2OF3,-6.086312667,-1.9366857997,0.0974512313,0.0974512313,GGA+U,P1,A2B3C_aP30_1_10a_15a_5a:Co-F-O,30.0,A2B3C_aP30_1_10a_15a_5a:Co-F-O +mp-1178455,Co2OF3,-6.0931037303,-1.943476863,0.090660168,0.090660168,GGA+U,P1,A2B3C_aP30_1_10a_15a_5a:Co-F-O,30.0,A2B3C_aP30_1_10a_15a_5a:Co-F-O +mp-1310084,Co2OF3,-6.11742883,-1.9678019627,0.0663350683,0.0663350683,GGA+U,Cm,A2B3C_mC24_8_4a_2a2b_2a:Co-F-O,12.0,"Invalid WP multiplicities - A2B3C_mC24_8_4a_2a4b_2a:Co-F-O, expected Co2OF5 to be Co2OF3" +mp-754866,Co2OF3,-6.0593369575,-1.9097100902,0.1244269408,0.1244269408,GGA+U,C2/m,A2B3C_mC48_12_abij_2i2j_2i:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_mC48_12_ab2ij_4i6j_4i:Co-F-O, expected Co5(OF4)4 to be Co2OF3" +mp-761020,Co2OF3,-6.0995098067,-1.9498829394,0.0842540917,0.0842540917,GGA+U,C2/m,A2B3C_mC48_12_abij_2i2j_2i:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_mC48_12_ab2i2j_4i7j_2i:Co-F-O, expected Co7(OF9)2 to be Co2OF3" +mp-782656,Co2OF3,-6.113300105,-1.9636732377,0.0704637933,0.0704637933,GGA+U,C2/m,A2B3C_mC48_12_ad3i_g3ij_hi:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_mC48_12_ac5i_2g5i2j_2hi:Co-F-O, expected Co6O3F11 to be Co2OF3" +mp-1301334,Co2OF3,-6.1160695975,-1.9664427302,0.0676943008,0.0676943008,GGA+U,C2/m,A2B3C_mC24_12_aci_ghi_i:Co-F-O,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_adi_2g2hi_i:Co-F-O, expected Co2OF5 to be Co2OF3" +mp-755907,Co2OF3,-6.0815153892,-1.9318885219,0.1022485092,0.1022485092,GGA+U,P2_1/c,A2B3C_mP24_14_ade_3e_e:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2a2b2e_12e_e:Co-F-O, expected Co4OF12 to be Co2OF3" +mp-759756,Co2OF3,-6.1091360407,-1.9595091734,0.0746278577,0.0746278577,GGA+U,Amm2,A2B3C_oC60_38_ab4c_a2ce2f_a2c:Co-F-O,30.0,"Invalid WP multiplicities - A2B3C_oC60_38_ab7c_a2c2e8f_a2c:Co-F-O, expected Co16O5F41 to be Co2OF3" +mp-777544,Co2OF3,-6.1084127106,-1.9587858433,0.0753511878,0.0753511878,GGA+U,Amm2,A2B3C_oC36_38_ab2c_acef_ac:Co-F-O,18.0,"Invalid WP multiplicities - A2B3C_oC36_38_ab2c_ac2e2f_ac:Co-F-O, expected Co2OF5 to be Co2OF3" +mp-760921,Co2OF3,-5.7666865362,-1.617059669,0.4170773621,0.4170773621,GGA+U,Amm2,A2B3C_oC48_38_ab3c_abc2f_abc:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_oC48_38_ab5c_ab2c6f_abc:Co-F-O, expected Co6O2F15 to be Co2OF3" +mp-778324,Co2OF3,-6.10870529,-1.9590784227,0.0750586083,0.0750586083,GGA+U,Amm2,A2B3C_oC60_38_ab4c_a2ce2f_a2c:Co-F-O,30.0,"Invalid WP multiplicities - A2B3C_oC60_38_ab6c_a3c2e7f_a2c:Co-F-O, expected Co14O5F39 to be Co2OF3" +mp-1178481,Co2OF3,-6.0785983337,-1.9289714664,0.1051655647,0.1051655647,GGA+U,Amm2,A2B3C_oC60_38_ab4c_a2ce2f_a2c:Co-F-O,30.0,"Invalid WP multiplicities - A2B3C_oC60_38_ab7c_a3c2e7f_a4c:Co-F-O, expected Co16(O3F13)3 to be Co2OF3" +mp-758692,Co2OF3,-6.13060283,-1.9809759627,0.0531610683,0.0531610683,GGA+U,Cmcm,A2B3C_oC24_63_ac_ce_c:Co-F-O,12.0,A2B3C_oC24_63_ac_ce_c:Co-F-O +mp-763315,Co2OF3,-6.10868414,-1.9590572727,0.0750797583,0.0750797583,GGA+U,Cmcm,A2B3C_oC48_63_acf_efg_f:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_oC48_63_acf_2ef2g_f:Co-F-O, expected Co2OF5 to be Co2OF3" +mp-850485,Co2OF3,-5.7570165846,-1.6073897173,0.4267473138,0.4267473138,GGA+U,Cmcm,A2B3C_oC48_63_2cg_2ch_2c:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_oC48_63_4c2g_3c2h_4c:Co-F-O, expected Co8O4F11 to be Co2OF3" +mp-755059,Co2OF3,-6.0575997179,-1.9079728506,0.1261641804,0.1261641804,GGA+U,Cmmm,A2B3C_oC48_65_abehj_ghmn_gh:Co-F-O,24.0,"Invalid WP multiplicities - A2B3C_oC48_65_abe2hj_2g2h2m2n_gh:Co-F-O, expected Co5(OF6)2 to be Co2OF3" +mp-760935,Co2OF3,-6.1316063183,-1.981979451,0.05215758,0.05215758,GGA+U,Imma,A2B3C_oI24_74_ae_ef_e:Co-F-O,12.0,"Invalid WP multiplicities - A2B3C_oI24_74_a2e_ef_e:Co-F-O, expected Co3OF3 to be Co2OF3" +mp-760931,CoOF,-6.2694361194,-1.6139409615,0.1026994472,0.1026994472,GGA+U,P2_1,ABC_mP18_4_3a_3a_3a:Co-F-O,18.0,"Invalid WP multiplicities - ABC_mP18_4_6a_4a_5a:Co-F-O, expected Co6O5F4 to be CoOF" +mp-850208,CoOF,-6.2295710608,-1.5740759029,0.1425645058,0.1425645058,GGA+U,C2,ABC_mC48_5_ab3c_ab3c_ab3c:Co-F-O,24.0,"Invalid WP multiplicities - ABC_mC48_5_ab3c_ab5c_ab5c:Co-F-O, expected Co2(OF)3 to be CoOF" +mp-756219,CoOF,-6.10817148,-1.4526763221,0.2639640867,0.2639640867,GGA+U,Pm,ABC_mP24_6_4a4b_7ab_a7b:Co-F-O,24.0,ABC_mP24_6_4a4b_7ab_a7b:Co-F-O +mp-764080,CoOF,-6.2481106779,-1.59261552,0.1240248887,0.1240248887,GGA+U,Pm,ABC_mP24_6_4a4b_3a5b_5a3b:Co-F-O,24.0,ABC_mP24_6_4a4b_3a5b_5a3b:Co-F-O +mp-780732,CoOF,-6.2679924183,-1.6124972604,0.1041431483,0.1041431483,GGA+U,Pm,ABC_mP18_6_3a3b_5ab_a5b:Co-F-O,18.0,ABC_mP18_6_3a3b_5ab_a5b:Co-F-O +mp-2236954,CoOF,-6.21300675,-1.5575115921,0.1591288167,0.1591288167,GGA+U,Pc,ABC_mP18_7_3a_3a_3a:Co-F-O,18.0,"Invalid WP multiplicities - ABC_mP18_7_5a_6a_6a:Co-F-O, expected Co5(OF)6 to be CoOF" +mp-765680,CoOF,-6.1081116346,-1.4526164767,0.2640239321,0.2640239321,GGA+U,P2/m,ABC_mP24_10_acm2n_2m2n_2m2n:Co-F-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_ac2m2n_4m4n_4m3n:Co-F-O, expected Co5O7F8 to be CoOF" +mp-776976,CoOF,-6.2540813217,-1.5985861638,0.118054245,0.118054245,GGA+U,P2/m,ABC_mP24_10_acm2n_m3n_3mn:Co-F-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_ac2m3n_m6n_6m2n:Co-F-O, expected Co6O8F7 to be CoOF" +mp-850935,CoOF,-6.0942572996,-1.4387621417,0.2778782671,0.2778782671,GGA+U,P2/m,ABC_mP24_10_acm2n_3mn_m3n:Co-F-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_ac2m2n_6mn_2m6n:Co-F-O, expected Co5O8F7 to be CoOF" +mp-779089,CoOF,-6.2267482417,-1.5712530837,0.145387325,0.145387325,GGA+U,P2/m,ABC_mP18_10_cemn_2mn_m2n:Co-F-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_aemn_4mn_2m4n:Co-F-O, expected Co3O6F5 to be CoOF" +mp-763931,CoOF,-6.2548074172,-1.5993122593,0.1173281494,0.1173281494,GGA+U,P2/m,ABC_mP18_10_cemn_2mn_m2n:Co-F-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_ae2mn_4mn_2m3n:Co-F-O, expected Co4(OF)5 to be CoOF" +mp-778833,CoOF,-6.2419851917,-1.5864900338,0.130150375,0.130150375,GGA+U,Pmn2_1,ABC_oP18_31_ab_ab_ab:Co-F-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_a2b_2a2b_2a2b:Co-F-O, expected Co5(OF)6 to be CoOF" +mp-764777,CoOF,-6.2536548622,-1.5981597043,0.1184807044,0.1184807044,GGA+U,Pmn2_1,ABC_oP18_31_3a_3a_3a:Co-F-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_5a_4a_5a:Co-F-O, expected Co5O5F4 to be CoOF" +mp-755325,CoOF,-6.2693969683,-1.6139018104,0.1027385983,0.1027385983,GGA+U,Cmmm,ABC_oC12_65_ac_g_j:Co-F-O,6.0,ABC_oC12_65_ac_g_j:Co-F-O +mp-758859,CoOF,-6.2233215358,-1.5678263779,0.1488140308,0.1488140308,GGA+U,P4_12_12,ABC_tP12_92_a_a_a:Co-F-O,12.0,ABC_tP12_92_a_a_a:Co-F-O +mp-754511,Co3(OF2)2,-6.1222036511,-1.8039540203,0.1243508033,0.1243508033,GGA+U,P1,A3B4C2_aP18_1_6a_8a_4a:Co-F-O,18.0,A3B4C2_aP18_1_6a_8a_4a:Co-F-O +mp-753002,Co3(OF2)2,-5.93391987,-1.6156702392,0.3126345844,0.3126345844,GGA+U,P1,A3B4C2_aP18_1_6a_8a_4a:Co-F-O,18.0,A3B4C2_aP18_1_6a_8a_4a:Co-F-O +mp-756874,Co3(OF2)2,-6.1085627889,-1.7903131581,0.1379916656,0.1379916656,GGA+U,P1,A3B4C2_aP18_1_6a_8a_4a:Co-F-O,18.0,A3B4C2_aP18_1_6a_8a_4a:Co-F-O +mp-1310109,Co3(OF2)2,-6.1365609233,-1.8183112925,0.1099935311,0.1099935311,GGA+U,P1,A3B4C2_aP18_1_6a_8a_4a:Co-F-O,18.0,A3B4C2_aP18_1_6a_8a_4a:Co-F-O +mp-754448,Co3(OF2)2,-6.1582048706,-1.8399552397,0.0883495839,0.0883495839,GGA+U,P-1,A3B4C2_aP18_2_ae2i_4i_2i:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_aP18_2_ae2i_7i_4i:Co-F-O, expected Co3O4F7 to be Co3(OF2)2" +mp-849985,Co3(OF2)2,-6.1276312089000005,-1.8093815781,0.1189232456,0.1189232456,GGA+U,P-1,A3B4C2_aP18_2_ae2i_4i_2i:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_aP18_2_ae4i_7i_3i:Co-F-O, expected Co5O3F7 to be Co3(OF2)2" +mp-850988,Co3(OF2)2,-6.1521767417,-1.8339271108,0.0943777128,0.0943777128,GGA+U,P-1,A3B4C2_aP18_2_ab2i_4i_2i:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_aP18_2_ab3i_7i_3i:Co-F-O, expected Co4O3F7 to be Co3(OF2)2" +mp-754293,Co3(OF2)2,-6.1444753939,-1.8262257631,0.1020790606,0.1020790606,GGA+U,P2_1,A3B4C2_mP18_4_3a_4a_2a:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mP18_4_5a_8a_4a:Co-F-O, expected Co5(OF2)4 to be Co3(OF2)2" +mp-1275789,Co3(OF2)2,-6.1627549133,-1.8445052825,0.0837995411,0.0837995411,GGA+U,P2_1,A3B4C2_mP18_4_3a_4a_2a:Co-F-O,18.0,A3B4C2_mP18_4_3a_4a_2a:Co-F-O +mp-763923,Co3(OF2)2,-6.157669015,-1.8394193842,0.0888854394,0.0888854394,GGA+U,C2,A3B4C2_mC36_5_ab2c_4c_2ac:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mC36_5_ab3c_7c_2ac:Co-F-O, expected Co4O2F7 to be Co3(OF2)2" +mp-752609,Co3(OF2)2,-6.1350652933,-1.8168156625,0.1114891611,0.1114891611,GGA+U,C2,A3B4C2_mC36_5_ab2c_2a3c_2c:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mC36_5_ab2c_2a4c_2c:Co-F-O, expected Co3O2F5 to be Co3(OF2)2" +mp-761251,Co3(OF2)2,-6.1217057578,-1.8034561269,0.1248486967,0.1248486967,GGA+U,C2/m,A3B4C2_mC36_12_ac2i_gij_2i:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mC36_12_ad3i_gi2j_4i:Co-F-O, expected Co2O2F3 to be Co3(OF2)2" +mp-752979,Co3(OF2)2,-6.1500109133,-1.8317612825,0.0965435411,0.0965435411,GGA+U,C2/m,A3B4C2_mC36_12_ad2i_gij_2i:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mC36_12_ac2i_2gi2j_4i:Co-F-O, expected Co3O4F7 to be Co3(OF2)2" +mp-755334,Co3(OF2)2,-6.1394202128,-1.8211705819,0.1071342417,0.1071342417,GGA+U,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mP18_14_a2e_7e_e:Co-F-O, expected Co5(OF7)2 to be Co3(OF2)2" +mp-759628,Co3(OF2)2,-6.1993938833,-1.8811442525,0.0471605711,0.0471605711,GGA+U,P2_1/c,A3B4C2_mP18_14_ae_2e_e:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_mP18_14_2a2e_2e_e:Co-F-O, expected Co3OF2 to be Co3(OF2)2" +mp-763243,Co3(OF2)2,-6.1490289567,-1.8307793258,0.0975254978,0.0975254978,GGA+U,Pmn2_1,A3B4C2_oP18_31_ab_2ab_b:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_oP18_31_a2b_3a2b_b:Co-F-O, expected Co5O2F7 to be Co3(OF2)2" +mp-753038,Co3(OF2)2,-6.1508219189,-1.8325722881,0.0957325356,0.0957325356,GGA+U,Pnnm,A3B4C2_oP18_58_ag_2g_g:Co-F-O,18.0,"Invalid WP multiplicities - A3B4C2_oP18_58_a2g_6g_g:Co-F-O, expected Co5(OF6)2 to be Co3(OF2)2" +mp-779014,Co3O5F,-6.52717288,-1.1971866679,0.0961249111,0.0961249111,GGA+U,P2/m,A3BC5_mP18_10_cemn_m_2m3n:Co-F-O,18.0,"Invalid WP multiplicities - A3BC5_mP18_10_ae2mn_m_4m5n:Co-F-O, expected Co4O9F to be Co3O5F" +mp-753312,Co3O5F,-6.5268566678,-1.1968704557,0.0964411233,0.0964411233,GGA+U,Pmn2_1,A3BC5_oP18_31_3a_a_5a:Co-F-O,18.0,"Invalid WP multiplicities - A3BC5_oP18_31_5a_a_10a:Co-F-O, expected Co5O10F to be Co3O5F" +mp-759581,Co6OF11,-6.0123682544,-2.1999869142,0.0458145317,0.0458145317,GGA+U,P1,A6B11C_aP18_1_6a_11a_a:Co-F-O,18.0,A6B11C_aP18_1_6a_11a_a:Co-F-O +mp-849329,Co6OF11,-6.0244906739,-2.2121093337,0.0336921122,0.0336921122,GGA+U,C2,A6B11C_mC36_5_ab2c_a5c_a:Co-F-O,18.0,"Invalid WP multiplicities - A6B11C_mC36_5_ab3c_a8c_a:Co-F-O, expected Co8OF17 to be Co6OF11" +mp-752797,Co6OF11,-6.0127346589,-2.2003533187,0.0454481272,0.0454481272,GGA+U,Cm,A6B11C_mC36_8_6a_5a3b_a:Co-F-O,18.0,"Invalid WP multiplicities - A6B11C_mC36_8_6a_5a5b_a:Co-F-O, expected Co6OF15 to be Co6OF11" +mp-754418,Co6OF11,-6.0177424722,-2.205361132,0.0404403139,0.0404403139,GGA+U,Amm2,A6B11C_oC36_38_abde_a2d3e_a:Co-F-O,18.0,"Invalid WP multiplicities - A6B11C_oC36_38_ab2de_a4d6e_a:Co-F-O, expected Co8OF21 to be Co6OF11" +mp-777398,Co6OF11,-6.0214473194,-2.2090659792,0.0367354667,0.0367354667,GGA+U,Amm2,A6B11C_oC36_38_3a3b_5a3e_a:Co-F-O,18.0,"Invalid WP multiplicities - A6B11C_oC36_38_3a3b_5a5e_a:Co-F-O, expected Co6OF15 to be Co6OF11" +mp-754817,Co6OF11,-6.0280563611,-2.2156750209,0.030126425,0.030126425,GGA+U,Amm2,A6B11C_oC36_38_ab2c_a2cef_a:Co-F-O,18.0,"Invalid WP multiplicities - A6B11C_oC36_38_ab2c_a2ce2f_a:Co-F-O, expected Co6OF15 to be Co6OF11" +mp-849290,Co6O7F5,-6.3252675672,-1.5011496458,0.1096585556,0.1096585556,GGA+U,P1,A6B5C7_aP18_1_6a_5a_7a:Co-F-O,18.0,A6B5C7_aP18_1_6a_5a_7a:Co-F-O +mp-752485,Co6O7F5,-6.3073969889,-1.4832790674,0.1275291339,0.1275291339,GGA+U,P1,A6B5C7_aP18_1_6a_5a_7a:Co-F-O,18.0,A6B5C7_aP18_1_6a_5a_7a:Co-F-O +mp-752574,Co6O7F5,-6.3137353222,-1.4896174008,0.1211908006,0.1211908006,GGA+U,C2,A6B5C7_mC36_5_ab2c_a2c_a3c:Co-F-O,18.0,"Invalid WP multiplicities - A6B5C7_mC36_5_ab3c_a4c_a3c:Co-F-O, expected Co8O7F9 to be Co6O7F5" +mp-760351,Co6O7F5,-6.2911395722,-1.4670216508,0.1437865506,0.1437865506,GGA+U,C2,A6B5C7_mC36_5_ab2c_a2c_a3c:Co-F-O,18.0,"Invalid WP multiplicities - A6B5C7_mC36_5_ab4c_a4c_a4c:Co-F-O, expected Co10(OF)9 to be Co6O7F5" +mp-760936,Co6O7F5,-6.3227560544,-1.498638133,0.1121700683,0.1121700683,GGA+U,Pm,A6B5C7_mP18_6_ab2c_a2bc_a3c:Co-F-O,18.0,A6B5C7_mP18_6_ab2c_a2bc_a3c:Co-F-O +mp-849276,Co6O7F5,-6.3297629344,-1.505645013,0.1051631883,0.1051631883,GGA+U,Cm,A6B5C7_mC36_8_6a_5a_a3b:Co-F-O,18.0,"Invalid WP multiplicities - A6B5C7_mC36_8_6a_5a_a5b:Co-F-O, expected Co6O11F5 to be Co6O7F5" +mp-780856,Co6O7F5,-6.3287905744,-1.504672653,0.1061355483,0.1061355483,GGA+U,Amm2,A6B5C7_oC36_38_ab2c_a2c_aef:Co-F-O,18.0,"Invalid WP multiplicities - A6B5C7_oC36_38_ab2c_a2c_ae2f:Co-F-O, expected Co6O11F5 to be Co6O7F5" +mp-761274,Co3(O2F)2,-6.3877243756,-1.3949836906,0.1099923033,0.1099923033,GGA+U,P1,A3B2C4_aP18_1_6a_4a_8a:Co-F-O,18.0,A3B2C4_aP18_1_6a_4a_8a:Co-F-O +mp-760923,Co3(O2F)2,-6.3384691078,-1.3457284228,0.1592475711,0.1592475711,GGA+U,P-1,A3B2C4_aP18_2_ae2i_2i_4i:Co-F-O,18.0,"Invalid WP multiplicities - A3B2C4_aP18_2_ae2i_3i_8i:Co-F-O, expected Co3O8F3 to be Co3(O2F)2" +mp-759921,Co3(O2F)2,-6.3883104039,-1.3955697189,0.109406275,0.109406275,GGA+U,P-1,A3B2C4_aP18_2_ab2i_2i_4i:Co-F-O,18.0,"Invalid WP multiplicities - A3B2C4_aP18_2_ab3i_4i_7i:Co-F-O, expected Co4O7F4 to be Co3(O2F)2" +mp-780690,Co3(O2F)2,-6.3792841178,-1.3865434328,0.1184325611,0.1184325611,GGA+U,Cm,A3B2C4_mC36_8_6a_4a_2a3b:Co-F-O,18.0,"Invalid WP multiplicities - A3B2C4_mC36_8_6a_4a_2a5b:Co-F-O, expected Co3(O3F)2 to be Co3(O2F)2" +mp-754819,Co3(O2F)2,-6.3587833156,-1.3660426306,0.1389333633,0.1389333633,GGA+U,C2/m,A3B2C4_mC36_12_ac2i_2i_gij:Co-F-O,18.0,"Invalid WP multiplicities - A3B2C4_mC36_12_ad4i_3i_2gi3j:Co-F-O, expected Co5(O3F)3 to be Co3(O2F)2" +mp-753302,Co3(O2F)2,-6.3897966361,-1.3970559511,0.1079200428,0.1079200428,GGA+U,C2/m,A3B2C4_mC36_12_ad2i_2i_gij:Co-F-O,18.0,"Invalid WP multiplicities - A3B2C4_mC36_12_ac4i_3i_2g2ij:Co-F-O, expected Co5(O2F)3 to be Co3(O2F)2" +mp-1179593,Sr(SO5)2,-5.8498823233,-1.2783992233,0.4460940012,0.4460940012,GGA,P3_2,A10B2C_hP156_145_40a_8a_4a:O-S-Sr,156.0,A10B2C_hP156_145_40a_8a_4a:O-S-Sr +mp-1179308,Sr(SO5)2,-5.8509220121,-1.2794389121,0.4450543124,0.4450543124,GGA,P6_2,A10B2C_hP39_171_5c_c_a:O-S-Sr,39.0,A10B2C_hP39_171_5c_c_a:O-S-Sr +mp-1020578,Sr4S3O,-5.4360041463,-2.4217526306,0.1439786475,0.1439786475,GGA,Pm-3m,AB3C4_cP8_221_a_c_bd:O-S-Sr,8.0,"Invalid WP multiplicities - AB3C4_cP8_221_a_c_b2d:O-S-Sr, expected Sr7S3O to be Sr4S3O" +mp-1018030,Sr2SO,-5.6284722075,-2.5129408363,0.22345568,0.22345568,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:O-S-Sr,4.0,ABC2_tP4_123_a_d_bc:O-S-Sr +mp-997094,SrAuO2,-5.5792383487,-1.8650501298,0.0318124471,0.0318124471,GGA,C2/m,AB2C_mC16_12_ab_gi_f:Au-O-Sr,8.0,AB2C_mC16_12_ab_gi_e:Au-O-Sr +mp-1208967,Sr2AuO4,-5.4426272729,-1.6655381655,0.4331238021,0.4331238021,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Au-O-Sr,,AB4C2_tI28_141_a_h_d:Au-O-Sr +mp-28796,Sr5(AuO4)2,-5.9830845947,-2.3451685309,0.0,-0.0139025427,GGA,I4/mmm,A2B8C5_tI30_139_d_n_ah:Au-O-Sr,15.0,A2B8C5_tI30_139_d_n_ah:Au-O-Sr +mp-1187146,SrAuO3,-5.382753778,-1.4220654606,0.27454359,0.27454359,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-O-Sr,5.0,AB3C_cP5_221_b_c_a:Au-O-Sr +mp-30003,AuSO4,-5.8471497673,-1.314301982,0.0,-0.1346362051,GGA,Pbca,AB4C_oP48_61_c_4c_c:Au-O-S,48.0,AB4C_oP48_61_c_4c_c:Au-O-S +mp-1197529,SrAu2(SO4)4,-6.2665815452,-1.7478825756,0.0,-0.0874462407,GGA,C2/c,A2B16C4D_mC92_15_ac_8f_2f_e:Au-O-S-Sr,46.0,A2B16C4D_mC92_15_ac_8f_2f_e:Au-O-S-Sr +mp-733869,Sr(SO4)2,-6.4765260243,-1.9732621264,0.0647753207,0.0647753207,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-Sr,88.0,A8B2C_oP88_61_8c_2c_c:O-S-Sr +mp-5285,SrSO4,-6.9529127846000005,-2.684129757,0.0,-0.5316208388,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-S-Sr,24.0,A4BC_oP24_62_2cd_c_c:O-S-Sr +mp-1192310,SrSO4,-6.9264020433,-2.6576190158,0.0265107413,-0.5051100976,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-S-Sr,24.0,A4BC_oP24_62_2cd_c_c:O-S-Sr +mp-7811,SrSO4,-6.7358613983,-2.4670783708,0.2170513863,-0.3145694526,GGA,F-43m,A4BC_cF24_216_e_a_b:O-S-Sr,6.0,A4BC_cF24_216_e_a_b:O-S-Sr +mp-1079788,Sr4SO3,-5.9238812438,-2.707070017,0.1999917375,0.1999917375,GGA,Pm-3m,A3BC4_cP8_221_c_a_bd:O-S-Sr,8.0,A3BC4_cP8_221_c_a_bd:O-S-Sr +mp-1189291,Sr(SO3)2,-5.3257027867,-0.9209777362,1.3761236203,1.3761236203,GGA,P-1,A6B2C_aP18_2_6i_2i_i:O-S-Sr,18.0,A6B2C_aP18_2_6i_2i_i:O-S-Sr +mp-9298,Sr(AuO2)2,-5.4815980257,-1.4781676974,0.0,-0.2110287434,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Au-O-Sr,14.0,A2B4C_tI28_88_c_f_b:Au-O-Sr +mp-1102450,Sr(AuO4)2,-4.8942989091,-0.5478655324,0.3927866386,0.3927866386,GGA,I422,A2B8C_tI22_97_e_k_a:Au-O-Sr,11.0,A2B8C_tI22_97_e_k_a:Au-O-Sr +mp-559172,KCr2AgO7,-6.8808653325,-1.6194225262000002,0.0094398337,0.0094398337,GGA+U,Pnma,AB2CD7_oP44_62_c_2c_c_3c2d:Ag-Cr-K-O,44.0,"Invalid WP multiplicities - AB2CD7_oP44_62_c_7c_c_11c11d:Ag-Cr-K-O, expected KCr7AgO33 to be KCr2AgO7" +mp-542693,K2Cr4O13,-7.2902692974,-1.756588191,0.0310976348,0.0310976348,GGA+U,Pc,A4B2C13_mP38_7_4a_2a_13a:Cr-K-O,38.0,A4B2C13_mP38_7_4a_2a_13a:Cr-K-O +mp-3074,KAgO,-4.0013407408,-1.038126187,0.0,-0.0998888758,GGA,I4/mmm,ABC_tI24_139_h_i_j:Ag-K-O,12.0,ABC_tI24_139_h_i_j:Ag-K-O +mp-1009048,KAgO,-3.5525731733,-0.5893586195,0.4487675675,0.3488786917,GGA,F-43m,ABC_cF12_216_a_b_c:Ag-K-O,3.0,ABC_cF12_216_a_b_c:Ag-K-O +mp-997102,KAgO2,-4.4798896425,-1.0208065493,0.00868627,-0.1495566109,GGA,C2/c,ABC2_mC16_15_a_e_f:Ag-K-O,8.0,ABC2_mC16_15_c_e_f:Ag-K-O +mp-996966,KAgO2,-4.46249323,-1.0034101368,0.0260826825,-0.1321601984,GGA,Pmmm,ABC2_oP4_47_a_d_k:Ag-K-O,4.0,ABC2_oP4_47_a_d_k:Ag-K-O +mp-997088,KAgO2,-4.4885759125,-1.0294928193,0.0,-0.1582428809,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ag-K-O,8.0,ABC2_oC16_63_c_c_f:Ag-K-O +mp-1211715,K4CrO4,-5.625232575,-1.8606327858,0.0,-0.1118051036,GGA+U,P-1,AB4C4_aP18_2_i_4i_4i:Cr-K-O,18.0,AB4C4_aP18_2_i_4i_4i:Cr-K-O +mp-18876,K3CrO8,-5.5205989392,-1.1407861057,0.3110497085,0.3110497085,GGA+U,I-42m,AB3C8_tI24_121_a_bd_2i:Cr-K-O,12.0,AB3C8_tI24_121_a_bd_2i:Cr-K-O +mp-1076696,K2Cr2O5,-7.0052958511,-1.8652584744,0.2735985541,0.2735985541,GGA+U,Ima2,A2B2C5_oI36_46_ab_c_b2c:Cr-K-O,18.0,A2B2C5_oI36_46_ab_c_b2c:Cr-K-O +mp-1224192,KCr20O40,-8.4574508962,-2.0305837356,0.049935149,0.049935149,GGA+U,I4/m,A20BC40_tI122_87_h2i_a_2h4i:Cr-K-O,61.0,"Invalid WP multiplicities - A20BC40_tI122_87_4h11i_a_7h23i:Cr-K-O, expected KCr104O212 to be KCr20O40" +mp-775274,K2CrO4,-6.5726746539,-2.0497317669,0.0156873589,-0.1737696797,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Cr-K-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_7e_15e:Cr-K-O, expected K7CrO15 to be K2CrO4" +mp-19232,K2CrO4,-6.5883620129,-2.0654191259,0.0,-0.1894570387,GGA+U,Pnma,AB2C4_oP28_62_c_2c_2cd:Cr-K-O,28.0,AB2C4_oP28_62_c_2c_2cd:Cr-K-O +mp-572510,K3AgO2,-3.866334454,-1.1901460762,0.0,-0.0469416569,GGA,P2_12_12_1,AB3C2_oP96_19_4a_12a_8a:Ag-K-O,96.0,"Invalid WP multiplicities - AB3C2_oP96_19_14a_42a_29a:Ag-K-O, expected K42Ag14O29 to be K3AgO2" +mp-1076732,KCrO3,-6.79726811,-1.6765655999,0.3903948117,0.3903948117,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Cr-K-O,5.0,ABC3_cP5_221_b_a_c:Cr-K-O +mp-976229,KAgO3,-4.254392346,-0.4977881292,0.3258061262,0.3258061262,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ag-K-O,5.0,ABC3_cP5_221_b_a_c:Ag-K-O +mp-18881,KCr4O8,-8.2501465477,-2.1504466618,0.0328785704,0.0328785704,GGA+U,I4/m,A4BC8_tI26_87_h_a_2h:Cr-K-O,13.0,A4BC8_tI26_87_h_a_2h:Cr-K-O +mp-19335,KCr3O8,-7.7489815262,-1.945393939,0.0,-0.0269573978,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-K-O,24.0,A3BC8_mC24_12_ai_d_2ij:Cr-K-O +mp-27601,K2Cr3O10,-7.1945219212,-1.8180667601,0.0222211579,0.0222211579,GGA+U,P2_1/c,A3B2C10_mP60_14_3e_2e_10e:Cr-K-O,60.0,"Invalid WP multiplicities - A3B2C10_mP60_14_3e_2e_13e:Cr-K-O, expected K2Cr3O13 to be K2Cr3O10" +mp-755102,K6Cr2O9,-5.7298810094,-1.5834876551,0.3377309165,0.3377309165,GGA+U,Cm,A2B6C9_mC34_8_2a_2a2b_5a2b:Cr-K-O,17.0,"Invalid WP multiplicities - A2B6C9_mC34_8_2a_2a4b_5a3b:Cr-K-O, expected K10Cr2O11 to be K6Cr2O9" +mp-19414,K3CrO4,-6.0327429231,-1.9363680286,0.0138587809,0.0138587809,GGA+U,I-42m,AB3C4_tI16_121_a_bd_i:Cr-K-O,16.0,AB3C4_tI16_121_a_bd_i:Cr-K-O +mp-1193190,K2Cr3O9,-7.3255888136,-1.9184360489,0.043230505,0.043230505,GGA+U,P2_1/m,A3B2C9_mP28_11_a2e_2e_5e2f:Cr-K-O,28.0,A3B2C9_mP28_11_a2e_2e_5e2f:Cr-K-O +mp-542666,K2Cr2O7,-7.0360291509,-1.931146077,0.0,-0.0307608032,GGA+U,P-1,A2B2C7_aP44_2_4i_4i_14i:Cr-K-O,44.0,A2B2C7_aP44_2_4i_4i_14i:Cr-K-O +mp-704810,K2Cr2O7,-6.9664381882,-1.8615551143,0.0695909627,0.0388301595,GGA+U,C2/m,A2B2C7_mC44_12_2i_2i_3i2j:Cr-K-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_12_2i_3i_6i6j:Cr-K-O, expected K3Cr2O18 to be K2Cr2O7" +mp-1191575,K2Cr2O7,-6.4950482309,-1.390165157,0.54098092,0.5102201168,GGA+U,C2/m,A2B2C7_mC44_12_2i_2i_3i2j:Cr-K-O,22.0,A2B2C7_mC44_12_2i_2i_3i2j:Cr-K-O +mp-561028,K2Cr2O7,-7.033905145,-1.9290220711,0.0021240059,-0.0286367973,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:Cr-K-O,22.0,A2B2C7_mC44_15_f_f_e3f:Cr-K-O +mp-546552,KCrO2,-7.2884894525,-2.1242834926,0.0002810425,-0.0912812401,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Cr-K-O,4.0,ABC2_hR12_166_a_b_c:Cr-K-O +mp-1181106,KCrO2,-6.2949748525,-1.1307688926,0.9937956425,0.9022333599,GGA+U,P6/mmm,ABC2_hP4_191_a_b_e:Cr-K-O,4.0,ABC2_hP4_191_a_b_e:Cr-K-O +mp-1079775,KCrO2,-7.288770495,-2.1245645351,0.0,-0.0915622826,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Cr-K-O,8.0,ABC2_hP8_194_a_c_f:Cr-K-O +mp-557832,K2Cd(AuS)4,-3.7392828764,-0.7588269562000001,0.0,-0.0101250289,GGA,Ibam,A4BC2D4_oI44_72_eh_b_j_k:Au-Cd-K-S,22.0,"Invalid WP multiplicities - A4BC2D4_oI44_72_2e2h_b_j_k:Au-Cd-K-S, expected K2Cd(Au2S)4 to be K2Cd(AuS)4" +mp-1096590,K2CdAu,-1.2199122225,0.384480191,0.5571177473,0.5571177473,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Cd-K,4.0,ABC2_oI8_71_a_b_e:Au-Cd-K +mp-1184757,K2CdAu,-1.7212563150000002,-0.1168639015,0.0557736548,0.0557736548,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-Cd-K,4.0,ABC2_cF16_225_a_b_c:Au-Cd-K +mp-18101,K2Cd3S4,-3.4537231844000003,-1.0609157798,0.0,-0.0641265339,GGA,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Cd-K-S,36.0,A3B2C4_oP36_62_cd_ac_2cd:Cd-K-S +mp-1191627,KMoO4,-7.091546495,-1.8010791780000002,0.1651629434,0.1651629434,GGA+U,P-1,ABC4_aP24_2_2i_2i_8i:K-Mo-O,24.0,ABC4_aP24_2_2i_2i_8i:K-Mo-O +mp-1211821,K4MoO5,-6.0067043838,-2.0046354384,0.0,-0.0824831013,GGA+U,P-1,A4BC5_aP60_2_12i_3i_15i:K-Mo-O,60.0,A4BC5_aP60_2_12i_3i_15i:K-Mo-O +mp-1224026,K3ReMoO8,-7.3597725146,-2.2678583742,0.0091382304,0.0091382304,GGA+U,R3m,A3BC8D_hR39_160_3a_a_2a2b_a:K-Mo-O-Re,13.0,"Invalid WP multiplicities - A3BC8D_hR39_160_3a_a_2a4b_a:K-Mo-O-Re, expected K3ReMoO14 to be K3ReMoO8" +mp-504907,K(MoO2)4,-8.4586519931,-1.9919974487,0.0033847179,0.0033847179,GGA+U,P2/c,AB4C8_mP52_13_2e_4g_8g:K-Mo-O,52.0,"Invalid WP multiplicities - AB4C8_mP52_13_2e_7g_11g:K-Mo-O, expected KMo7O11 to be K(MoO2)4" +mp-28305,K(MoO2)4,-8.2550200935,-1.7883655491,0.2070166175,0.2070166175,GGA+U,P2/c,AB4C8_mP52_13_2e_4g_8g:K-Mo-O,52.0,AB4C8_mP52_13_2e_4g_8g:K-Mo-O +mp-650817,K(MoO2)4,-8.2861911015,-1.8195365572,0.1758456094,0.1758456094,GGA+U,P4/n,AB4C8_tP52_85_2c_2g_4g:K-Mo-O,52.0,"Invalid WP multiplicities - AB4C8_tP52_85_2c_4g_8g:K-Mo-O, expected K(MoO2)8 to be K(MoO2)4" +mp-27597,K2Mo2O7,-7.4667113227,-2.1449914052,0.0,-0.0070945259,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:K-Mo-O,22.0,A2B2C7_aP22_2_2i_2i_7i:K-Mo-O +mp-1198684,K6Mo7O34,-6.3099099756,-0.9743916643,0.7010735877000001,0.7010735877000001,GGA+U,Ama2,A6B7C34_oC188_40_ab2c_b3c_6b14c:K-Mo-O,94.0,A6B7C34_oC188_40_ab2c_b3c_6b14c:K-Mo-O +mp-1223708,K2Mo8O13,-8.3185367443,-1.6536257869000002,0.2063360001,0.2063360001,GGA+U,Cmmm,A2B8C13_oC46_65_e_ghij_agi2q:K-Mo-O,23.0,"Invalid WP multiplicities - A2B8C13_oC46_65_e_ghij_agi3q:K-Mo-O, expected K2Mo8O17 to be K2Mo8O13" +mp-28849,K(Mo2O3)2,-8.2354648323,-1.4924528637,0.3141615011,0.3141615011,GGA+U,P4/mbm,AB4C6_tP22_127_a_gh_gj:K-Mo-O,22.0,AB4C6_tP22_127_a_gh_gj:K-Mo-O +mp-16909,K(MoO3)3,-8.014661045,-2.0017727621,0.0389162945,0.0389162945,GGA+U,C2/m,AB3C9_mC52_12_i_ij_g4i2j:K-Mo-O,26.0,"Invalid WP multiplicities - AB3C9_mC52_12_i_i2j_g4i2j:K-Mo-O, expected KMo5O9 to be K(MoO3)3" +mp-559525,K2MoO8,-5.8272702732,-1.0418195737,0.3651509186,0.3651509186,GGA+U,R-3c,A2BC8_hR198_167_bce_e_4f:K-Mo-O,66.0,"Invalid WP multiplicities - A2BC8_hR198_167_2b4c4e_e_30f:K-Mo-O, expected K22(MoO60)3 to be K2MoO8" +mp-705676,K4MoO8,-5.38537821,-1.1653200878,0.4812081581,0.4812081581,GGA+U,P1,A4BC8_aP13_1_4a_a_8a:K-Mo-O,13.0,A4BC8_aP13_1_4a_a_8a:K-Mo-O +mp-698648,K3(MoO3)10,-7.8948154853,-1.8439234091,0.1863951468,0.1863951468,GGA+U,P-1,A3B10C30_aP43_2_di_5i_ab14i:K-Mo-O,43.0,"Invalid WP multiplicities - A3B10C30_aP43_2_d2i_9i_ab27i:K-Mo-O, expected K5(Mo9O28)2 to be K3(MoO3)10" +mp-1352759,K3(MoO3)10,-3.3512720005,2.6996200758,4.7299386316,4.7299386316,GGA+U,P-1,A3B10C30_aP43_2_ci_5i_be14i:K-Mo-O,43.0,"Invalid WP multiplicities - A3B10C30_aP43_2_c2i_9i_be27i:K-Mo-O, expected K5(Mo9O28)2 to be K3(MoO3)10" +mp-541614,K3(MoO3)10,-8.0626093921,-2.0117173158,0.01860124,0.01860124,GGA+U,C2/m,A3B10C30_mC86_12_ai_i2j_e6i4j:K-Mo-O,43.0,A3B10C30_mC86_12_ai_i2j_f6i4j:K-Mo-O +mp-1224511,K(Mo2O3)4,-8.5225858786,-1.5113542423,0.3017118754,0.3017118754,GGA+U,P2,AB8C12_mP21_3_a_4e_6e:K-Mo-O,21.0,AB8C12_mP21_3_a_4e_6e:K-Mo-O +mp-29053,K3(Mo7O11)2,-8.2188392541,-1.4496738688000002,0.3901388067,0.3901388067,GGA+U,P2_1/c,A3B14C22_mP78_14_ae_7e_11e:K-Mo-O,78.0,A3B14C22_mP78_14_ae_7e_11e:K-Mo-O +mp-1182726,K2Mo2O15,-6.1570784334,-0.9932663922,0.2485707371,0.2485707371,GGA+U,P-1,A2B2C15_aP38_2_2i_2i_15i:K-Mo-O,38.0,A2B2C15_aP38_2_2i_2i_15i:K-Mo-O +mp-1212697,K2Mo2O15,-6.1079752545,-0.9441632133,0.2976739161,0.2976739161,GGA+U,P-1,A2B2C15_aP38_2_2i_2i_15i:K-Mo-O,38.0,A2B2C15_aP38_2_2i_2i_15i:K-Mo-O +mp-733689,K2Mo3O13,-6.8286591306,-1.3250646044,0.4281051694,0.4281051694,GGA+U,Cmcm,A2B3C13_oC72_63_g_ce_cf3gh:K-Mo-O,36.0,A2B3C13_oC72_63_g_ce_cf3gh:K-Mo-O +mp-18914,K2MoO4,-6.9042683236,-2.2109536309,0.0,-0.1327984003,GGA+U,C2/m,A2BC4_mC28_12_2i_i_2ij:K-Mo-O,14.0,A2BC4_mC28_12_2i_i_2ij:K-Mo-O +mp-540788,K2Mo3O10,-7.7187794177,-2.1038037286,0.0,-0.0111456713,GGA+U,C2/c,A2B3C10_mC60_15_f_ef_5f:K-Mo-O,30.0,A2B3C10_mC60_15_f_ef_5f:K-Mo-O +mp-559753,K6Mo10O33,-7.7572406634,-2.076432046,0.0128184127,0.0128184127,GGA+U,P1,A6B10C33_aP98_1_12a_20a_66a:K-Mo-O,98.0,A6B10C33_aP98_1_12a_20a_66a:K-Mo-O +mp-505783,KMo5O13,-8.2860561371,-1.9889191506,0.0459954831,0.0459954831,GGA+U,Cmcm,AB5C13_oC76_63_c_a2f_ce3fh:K-Mo-O,38.0,AB5C13_oC76_63_c_a2f_ce3fh:K-Mo-O +mp-1075956,K2Mo2O5,-7.1093913683,-1.7043311828,0.3523666497,0.3523666497,GGA+U,Ima2,A2B2C5_oI36_46_c_ab_b2c:K-Mo-O,18.0,A2B2C5_oI36_46_c_ab_b2c:K-Mo-O +mp-557167,K2Mo7O20,-8.1384982447,-2.0324940071,0.0063034282,0.0063034282,GGA+U,Pbcm,A2B7C20_oP116_57_e_c2d2e_c3d8e:K-Mo-O,116.0,"Invalid WP multiplicities - A2B7C20_oP116_57_e_4c6d14e_4c12d57e:K-Mo-O, expected KMo19O65 to be K2Mo7O20" +mp-542658,K2Mo4O13,-7.8411595061,-2.0564041597,0.0098674516,0.0098674516,GGA+U,P-1,A2B4C13_aP38_2_2i_4i_13i:K-Mo-O,38.0,A2B4C13_aP38_2_2i_4i_13i:K-Mo-O +mp-1443713,K2Mo4O13,-3.5224715153,2.2622838311,4.3285554424,4.3285554424,GGA+U,P-1,A2B4C13_aP38_2_2i_4i_13i:K-Mo-O,38.0,A2B4C13_aP38_2_2i_4i_13i:K-Mo-O +mp-637680,K2Mo4O13,-7.8471151495,-2.0623598031,0.0039118082,0.0039118082,GGA+U,Pbca,A2B4C13_oP152_61_2c_4c_13c:K-Mo-O,152.0,"Invalid WP multiplicities - A2B4C13_oP152_61_10c_22c_99c:K-Mo-O, expected K10(Mo2O9)11 to be K2Mo4O13" +mp-1040469,KMoO3,-7.406736622,-2.0475135838,0.106874973,0.106874973,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:K-Mo-O,5.0,ABC3_cP5_221_a_b_c:K-Mo-O +mp-1213226,CsPO3,-6.9074490815,-2.677694879,0.0,-0.2209476375,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cs-O-P,20.0,AB3C_mP20_14_e_3e_e:Cs-O-P +mp-1213232,CsPO3,-6.9025883035,-2.6728341010000003,0.004860778,-0.2160868595,GGA,Pnma,AB3C_oP20_62_c_cd_c:Cs-O-P,20.0,AB3C_oP20_62_c_cd_c:Cs-O-P +mp-730271,CsPO4,-6.3874922592,-2.0382489719,0.1931634273,0.1931634273,GGA,P2_1/m,AB4C_mP12_11_e_2ef_e:Cs-O-P,12.0,AB4C_mP12_11_e_2ef_e:Cs-O-P +mp-1095630,CsPO4,-6.3463244417,-1.9970811544,0.2343312448,0.2343312448,GGA,Amm2,AB4C_oC24_38_e_2df_d:Cs-O-P,12.0,AB4C_oC24_38_e_2df_d:Cs-O-P +mp-559808,Cs3PO4,-5.9573865031,-2.4716034446,0.0,-0.3521488547,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Cs-O-P,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_4c4d_5c3d_c:Cs-O-P, expected Cs12PO11 to be Cs3PO4" +mp-28883,GeP2O7,-7.489133766,-2.4814883813,0.0,-0.0572405924,GGA,P-1,AB7C2_aP20_2_be_7i_2i:Ge-O-P,20.0,AB7C2_aP20_2_be_7i_2i:Ge-O-P +mp-18049,Ge5P6O25,-7.3977166503,-2.4182118698,0.0,-0.0039847082,GGA,R-3,A5B25C6_hR108_148_a2c_b4f_f:Ge-O-P,36.0,"Invalid WP multiplicities - A5B25C6_hR108_148_a2c_b5f_f:Ge-O-P, expected Ge5P6O31 to be Ge5P6O25" +mp-731223,Ge(PO2)3,-6.870999265,-1.8166925008,0.3102975404,0.3102975404,GGA,R-3,AB6C3_hR60_148_ab_2f_f:Ge-O-P,20.0,AB6C3_hR60_148_ab_2f_f:Ge-O-P +mp-560216,Cs2GeP4O13,-7.2115922033,-2.5928924096,0.0,-0.0133007795,GGA,P-1,A2BC13D4_aP40_2_2i_i_13i_4i:Cs-Ge-O-P,40.0,"Invalid WP multiplicities - A2BC13D4_aP40_2_4i_i_26i_6i:Cs-Ge-O-P, expected Cs4Ge(P3O13)2 to be Cs2GeP4O13" +mp-1196290,GeP2O9,-6.7749938246,-1.7775078855,0.290399099,0.290399099,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Ge-O-P,48.0,AB9C2_mP48_14_e_9e_2e:Ge-O-P +mp-1197518,GeP2O9,-6.759822161,-1.7623362219,0.3055707625,0.3055707625,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Ge-O-P,48.0,AB9C2_mP48_14_e_9e_2e:Ge-O-P +mp-1105268,Ba3Rh(CN)3,-7.2682490865,-0.6865776923,0.0,-0.0731999655,GGA,P6_3/m,A3B3C3D_hP20_176_h_h_h_c:Ba-C-N-Rh,20.0,A3B3C3D_hP20_176_h_h_h_c:Ba-C-N-Rh +mp-1246417,Rh2(CN2)3,-8.14078139,0.262271498,0.262271498,0.262271498,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Rh,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Rh +mp-1246752,Rh2(CN2)3,-8.2915057632,0.1115471248,0.1115471248,0.1115471248,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Rh,22.0,A3B6C2_hR66_167_e_f_c:C-N-Rh +mp-1211721,KNb13O33,-9.3292868338,-3.0384763671,0.0,-0.0149945038,GGA,C2/m,AB13C33_mC94_12_c_b6i_a16i:K-Nb-O,,AB13C33_mC94_12_c_a6i_b16i:K-Nb-O +mp-1224017,K(Nb3Te4)2,-6.4954086533,-0.7044302311,0.0274122403,0.0274122403,GGA,P-3,AB6C8_hP15_147_a_g_dg:K-Nb-Te,,AB6C8_hP15_147_a_g_dg:K-Nb-Te +mp-758004,K3Nb7O19,-8.7605398191,-2.9664909352,0.0036034004,0.0036034004,GGA,P-1,A3B7C19_aP58_2_3i_7i_ac18i:K-Nb-O,58.0,"Invalid WP multiplicities - A3B7C19_aP58_2_5i_13i_ac35i:K-Nb-O, expected K5Nb13O36 to be K3Nb7O19" +mp-650928,K3Nb7O19,-8.7611755439,-2.9671266599,0.0029676756,0.0029676756,GGA,P-1,A3B7C19_aP116_2_6i_14i_bd37i:K-Nb-O,116.0,"Invalid WP multiplicities - A3B7C19_aP116_2_12i_27i_bd74i:K-Nb-O, expected K4Nb9O25 to be K3Nb7O19" +mp-560692,K4Nb6O17,-8.4506690092,-2.926849227,0.0,-0.0106676819,GGA,Pna2_1,A4B6C17_oP108_33_4a_6a_17a:K-Nb-O,108.0,"Invalid WP multiplicities - A4B6C17_oP108_62_14c_8c11d_28c38d:K-Nb-O, expected K7Nb15O52 to be K4Nb6O17" +mp-27998,KNb3O8,-8.9052066142,-2.9895546344,0.0,-0.0049621608,GGA,Cmcm,AB3C8_oC48_63_c_cf_2c3f:K-Nb-O,24.0,AB3C8_oC48_63_c_cf_2c3f:K-Nb-O +mp-22826,KNb8O14,-9.335721493,-2.7629179615,0.0,-0.0285567403,GGA,Pbam,AB8C14_oP46_55_b_ghi_acgh2i:K-Nb-O,46.0,"Invalid WP multiplicities - AB8C14_oP46_55_b_3g2h2i_2ac3g4h11i:K-Nb-O, expected KNb18O61 to be KNb8O14" +mp-5246,KNbO3,-8.067304666,-2.8569506418,0.00013457,-0.0979580724,GGA,Amm2,ABC3_oC10_38_a_b_ae:K-Nb-O,5.0,ABC3_oC10_38_a_b_ae:K-Nb-O +mp-4342,KNbO3,-8.06530477,-2.8549507459,0.002134466,-0.0959581764,GGA,P4mm,ABC3_tP5_99_b_a_ac:K-Nb-O,5.0,ABC3_tP5_99_b_a_ac:K-Nb-O +mp-7375,KNbO3,-8.067439236,-2.8570852118000003,0.0,-0.0980926424,GGA,R3m,ABC3_hR15_160_a_a_b:K-Nb-O,5.0,ABC3_hR15_160_a_a_b:K-Nb-O +mp-935811,KNbO3,-8.054525484,-2.8441714599,0.012913752,-0.0851788904,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Nb-O,5.0,ABC3_cP5_221_a_b_c:K-Nb-O +mp-863370,K6Nb11O30,-8.5804632076,-2.9171140488,0.0195741707,0.0195741707,GGA,Pmn2_1,A6B11C30_oP94_31_6a_a5b_10a10b:K-Nb-O,94.0,"Invalid WP multiplicities - A6B11C30_oP94_31_12a_2a8b_18a20b:K-Nb-O, expected K6Nb9O29 to be K6Nb11O30" +mp-1224074,K6Nb11O30,-8.5407884377,-2.8774392789,0.0592489406,0.0592489406,GGA,Amm2,A6B11C30_oC94_38_2a2d_a2b4e_2a2b4d9e:K-Nb-O,47.0,"Invalid WP multiplicities - A6B11C30_oC94_38_2a2d_a2b8e_2a2b8d17e:K-Nb-O, expected K6Nb19O54 to be K6Nb11O30" +mp-1202170,KNb3(TeO6)2,-7.8899006475,-2.4976122926,0.0,-0.0060589212,GGA,Pbcm,AB3C12D2_oP72_57_d_de_cd5e_e:K-Nb-O-Te,72.0,AB3C12D2_oP72_57_d_de_cd5e_e:K-Nb-O-Te +mp-773070,KNb2O5,-8.5783359771,-2.8225294042,0.0680657929,0.0680657929,GGA,Pc,AB2C5_mP48_7_3a_6a_15a:K-Nb-O,48.0,"Invalid WP multiplicities - AB2C5_mP48_7_4a_10a_28a:K-Nb-O, expected K2Nb5O14 to be KNb2O5" +mp-1076215,K2Nb2O5,-7.7335077711,-2.4938576011,0.1515916691,0.1515916691,GGA,Ima2,A2B2C5_oI36_46_c_ab_b2c:K-Nb-O,18.0,A2B2C5_oI36_46_c_ab_b2c:K-Nb-O +mp-14175,K3NbO8,-6.10907499,-1.6919073591,0.0,-0.0074392057,GGA,I-42m,A3BC8_tI24_121_ad_b_2i:K-Nb-O,12.0,A3BC8_tI24_121_ad_b_2i:K-Nb-O +mp-5867,K3Nb8O21,-8.8365331533,-2.9608425252,0.0039722498,0.0039722498,GGA,P6_3/mcm,A3B8C21_hP64_193_g_dk_gkl:K-Nb-O,64.0,"Invalid WP multiplicities - A3B8C21_hP64_193_g_dk_g3k2l:K-Nb-O, expected K3Nb8O45 to be K3Nb8O21" +mp-675298,K2NbO6,-6.0817754389,-1.4148604165,0.5067126040000001,0.5067126040000001,GGA,Imm2,A2BC6_oI18_44_c_a_c2d:K-Nb-O,9.0,"Invalid WP multiplicities - A2BC6_oI18_44_c_a_2c3d:K-Nb-O, expected K2NbO10 to be K2NbO6" +mp-554863,KNb5O13,-9.1033454767,-3.0020887718,0.0116692461,0.0116692461,GGA,Pbcm,AB5C13_oP76_57_d_c2e_d6e:K-Nb-O,76.0,"Invalid WP multiplicities - AB5C13_oP76_57_d_3c11e_4d40e:K-Nb-O, expected KNb25O84 to be KNb5O13" +mp-757862,K4Nb15O24,-8.9743054563,-2.586358934,0.0134229716,0.0134229716,GGA,C2/m,A4B15C24_mC86_12_abi_ci3j_6i3j:K-Nb-O,43.0,"Invalid WP multiplicities - A4B15C24_mC86_12_abi_c2i11j_12i10j:K-Nb-O, expected K4Nb49O64 to be K4Nb15O24" +mp-772226,Tm2(WO4)3,-9.0901451351,-2.7850671309,0.0163819559,0.0163819559,GGA+U,P2_1/c,A12B2C3_mP68_14_12e_2e_3e:O-Tm-W,68.0,"Invalid WP multiplicities - A12B2C3_mP68_14_45e_5e_9e:O-Tm-W, expected Tm5(WO5)9 to be Tm2(WO4)3" +mp-771881,Tm2(WO4)3,-9.0530609509,-2.7479829467,0.0534661401,0.0534661401,GGA+U,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Tm-W,34.0,"Invalid WP multiplicities - A12B2C3_mC68_15_23f_f_e2f:O-Tm-W, expected Tm2W5O46 to be Tm2(WO4)3" +mp-1208061,TmWO5,-8.6558300286,-2.6319144272,0.1436123705,0.1436123705,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-Tm-W,28.0,A5BC_mP28_14_5e_e_e:O-Tm-W +mp-778814,Tm2WO6,-9.0755610228,-3.3433462068,0.0,-0.0435679331,GGA+U,P2/c,A6B2C_mP36_13_6g_efg_g:O-Tm-W,36.0,"Invalid WP multiplicities - A6B2C_mP36_13_23g_ef2g_g:O-Tm-W, expected Tm3WO23 to be Tm2WO6" +mp-771887,Tm2WO6,-9.0309173569,-3.2987025409,0.0446436658,0.0010757327,GGA+U,C2/c,A6B2C_mC72_15_6f_2ef_f:O-Tm-W,36.0,"Invalid WP multiplicities - A6B2C_mC72_15_19f_3e2f_f:O-Tm-W, expected Tm7(WO19)2 to be Tm2WO6" +mp-773512,Tm2WO6,-9.0649763853,-3.3327615693,0.0105846375,-0.0329832956,GGA+U,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Tm-W,36.0,"Invalid WP multiplicities - A6B2C_oP36_19_21a_5a_a:O-Tm-W, expected Tm5WO21 to be Tm2WO6" +mp-780869,Tm2WO6,-9.0742134942,-3.3419986781,0.0013475286,-0.0422204045,GGA+U,Pbca,A6B2C_oP72_61_6c_2c_c:O-Tm-W,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_21c_5c_c:O-Tm-W, expected Tm5WO21 to be Tm2WO6" +mp-756123,Tm6WO12,-8.9799623121,-3.7603092961,0.0,-0.0221438811,GGA+U,R-3,A12B6C_hR57_148_2f_f_a:O-Tm-W,19.0,"Invalid WP multiplicities - A12B6C_hR57_148_7f_f_a:O-Tm-W, expected Tm6WO42 to be Tm6WO12" +mp-1209210,RbTm(WO4)2,-8.5742973337,-2.6621190299,0.016988135,0.0007340792,GGA+U,P2_1/c,A8BCD2_mP48_14_8e_e_e_2e:O-Rb-Tm-W,48.0,A8BCD2_mP48_14_8e_e_e_2e:O-Rb-Tm-W +mp-1209157,RbTm(WO4)2,-8.5912854687,-2.6791071649,0.0,-0.0162540558,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Tm-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Tm-W +mp-1209122,RbTm(WO4)2,-8.5559028667,-2.6437245628,0.0353826021,0.0191285463,GGA+U,P-3m1,A8BCD2_hP12_164_di_a_b_d:O-Rb-Tm-W,12.0,A8BCD2_hP12_164_di_a_b_d:O-Rb-Tm-W +mp-29542,K4Bi2O5,-5.0555975182,-1.7050504633,0.0045314907,0.0045314907,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Bi-K-O,22.0,A2B4C5_aP22_2_2i_4i_5i:Bi-K-O +mp-559498,K9Bi5O13,-5.1603602096,-1.6972865274000002,0.0051720066,0.0051720066,GGA,P2_1/c,A5B9C13_mP108_14_5e_9e_13e:Bi-K-O,108.0,"Invalid WP multiplicities - A5B9C13_mP108_14_17e_32e_50e:Bi-K-O, expected K32Bi17O50 to be K9Bi5O13" +mp-30120,K3BiO4,-5.0244953487,-1.6546902467,0.0,-0.0943619475,GGA,P-1,AB3C4_aP16_2_i_3i_4i:Bi-K-O,16.0,"Invalid WP multiplicities - AB3C4_aP16_2_i_5i_4i:Bi-K-O, expected K5BiO4 to be K3BiO4" +mp-1184760,K2Bi2O5,-5.4398602833,-1.5915025378,0.0639404281,0.0639404281,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Bi-K-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Bi-K-O, expected K2Bi2O9 to be K2Bi2O5" +mp-29524,K3BiO3,-4.8364893032000005,-1.6919532883,0.0,-0.0847816418,GGA,I-43m,AB3C3_cI56_217_c_g_g:Bi-K-O,28.0,AB3C3_cI56_217_c_g_g:Bi-K-O +mp-1103121,KLi2O3,-4.6111453025,-1.3164268335,0.2161375517,0.2161375517,GGA,P2_1/m,AB2C3_mP12_11_e_f_3e:K-Li-O,12.0,AB2C3_mP12_11_e_f_3e:K-Li-O +mp-559612,KLiO,-4.298192995,-1.6428561534,0.0122961783,0.0122961783,GGA,Cmce,ABC_oC24_64_d_f_f:K-Li-O,12.0,ABC_oC24_64_d_f_f:K-Li-O +mp-30988,KBiO2,-5.4514984937,-1.7404321189,0.0,-0.0487384681,GGA,C2/c,ABC2_mC16_15_e_e_f:Bi-K-O,8.0,ABC2_mC16_15_e_e_f:Bi-K-O +mp-1224134,K6Bi6O19,-5.4617347932,-1.471656923,0.0645866028,0.0645866028,GGA,C2,A6B6C19_mC62_5_2a2c_3c_3b8c:Bi-K-O,31.0,"Invalid WP multiplicities - A6B6C19_mC62_5_2a2c_3c_3b11c:Bi-K-O, expected K6Bi6O25 to be K6Bi6O19" +mp-1181529,KLi6BiO6,-5.0062173179,-1.7144632075,0.2763213836,0.2184502957,GGA,C2/m,ABC6D6_mC28_12_a_c_gj_ij:Bi-K-Li-O,,"Invalid WP multiplicities - ABC6D6_mC28_12_a_d_2g2j_2i2j:Bi-K-Li-O, expected KLi12BiO12 to be KLi6BiO6" +mp-23582,KLi6BiO6,-5.2825387014,-1.9907845911,0.0,-0.0578710879,GGA,R-3m,ABC6D6_hR42_166_a_b_f_h:Bi-K-Li-O,14.0,ABC6D6_hR42_166_a_b_f_h:Bi-K-Li-O +mp-757202,K7(Bi3O8)3,-5.5547482462,-1.5283051495,0.0685036213,0.0685036213,GGA,C2/m,A9B7C24_mC80_12_a2j_b3i_fh4i3j:Bi-K-O,40.0,"Invalid WP multiplicities - A9B7C24_mC80_12_a8j_b4i_2e2h5i11j:Bi-K-O, expected K9Bi33O62 to be K7(Bi3O8)3" +mp-1184939,KLiO3,-4.32660995,-0.7547323605,0.498409371,0.498409371,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Li-O,5.0,ABC3_cP5_221_a_b_c:K-Li-O +mp-1102773,K8BiO3,-3.1249336808,-0.8279547775,0.2215782857,0.2215782857,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:Bi-K-O,12.0,AB8C3_cP12_221_a_g_c:Bi-K-O +mp-676536,KBiO3,-5.5147704331,-1.556579591,0.0308720524,-0.0498508862,GGA,P1,ABC3_aP90_1_18a_18a_54a:Bi-K-O,90.0,ABC3_aP90_1_18a_18a_54a:Bi-K-O +mp-863367,KBiO3,-5.5358627137,-1.5776718715,0.0097797718,-0.0709431668,GGA,C2/m,ABC3_mC60_12_h2i_ej_g4i2j:Bi-K-O,30.0,"Invalid WP multiplicities - ABC3_mC60_12_2g3i_2e2j_h6i6j:Bi-K-O, expected K6Bi5O19 to be KBiO3" +mp-29799,KBiO3,-5.5456424855,-1.5874516434,0.0,-0.0807229386,GGA,Pn-3,ABC3_cP60_201_g_be_fh:Bi-K-O,60.0,"Invalid WP multiplicities - ABC3_cP60_201_g_be_2f3h:Bi-K-O, expected KBiO8 to be KBiO3" +mp-982040,KBiO3,-5.452773802,-1.4945829598,0.0928686835,0.0121457449,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-K-O,5.0,ABC3_cP5_221_b_a_c:Bi-K-O +mp-1217459,Zn(W18O49)2,-9.1861139648,-2.130351553,0.0178154025,0.0178154025,GGA+U,Cm,A98B36C_mC270_8_36a31b_18b_a:O-W-Zn,135.0,A98B36C_mC270_8_36a31b_18b_a:O-W-Zn +mp-1373149,Zn3W2O7,-7.1913484342,-1.8311557451,0.083369245,0.083369245,GGA+U,Cmc2_1,A7B2C3_oC48_36_a3b_b_ab:O-W-Zn,24.0,"Invalid WP multiplicities - A7B2C3_oC48_36_a4b_b_ab:O-W-Zn, expected Zn3W2O9 to be Zn3W2O7" +mp-1045120,ZnW4O9,-8.6398449157,-1.6675261349,0.3348486629,0.3348486629,GGA+U,P4/m,A9B4C_tP14_83_ajk_j_d:O-W-Zn,14.0,A9B4C_tP14_83_ajk_j_d:O-W-Zn +mp-1043973,ZnW4O9,-8.6376161975,-1.6652974167,0.3370773811,0.3370773811,GGA+U,P4/n,A9B4C_tP28_85_a2g_g_c:O-W-Zn,28.0,A9B4C_tP28_85_a2g_g_c:O-W-Zn +mp-1046287,ZnWO2,-7.0960240469,-1.0682112313,0.5916244187,0.5916244187,GGA+U,P-1,A2BC_aP16_2_4i_2i_2i:O-W-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-W-Zn, expected Zn2W3O7 to be ZnWO2" +mp-1048324,ZnWO2,-7.2615548981,-1.2337420825,0.4260935675,0.4260935675,GGA+U,P-1,A2BC_aP16_2_4i_2i_2i:O-W-Zn,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_2i:O-W-Zn, expected Zn2W3O7 to be ZnWO2" +mp-1346571,Zn2W2O5,-7.1637027844,-1.2560148693,0.5589803842000001,0.5589803842000001,GGA+U,Pbam,A5B2C2_oP18_55_agh_g_h:O-W-Zn,18.0,"Invalid WP multiplicities - A5B2C2_oP18_55_2a2g3h_g_h:O-W-Zn, expected ZnWO6 to be Zn2W2O5" +mp-1369997,ZnW2O5,-7.9885266013,-1.499845648,0.4761742075,0.4761742075,GGA+U,Pmmn,A5B2C_oP16_59_a2e_e_b:O-W-Zn,16.0,A5B2C_oP16_59_a2e_e_b:O-W-Zn +mp-1043251,ZnW2O5,-8.0645089925,-1.5758280392,0.4001918162,0.4001918162,GGA+U,Cmcm,A5B2C_oC32_63_c2f_f_c:O-W-Zn,16.0,A5B2C_oC32_63_c2f_f_c:O-W-Zn +mp-1043075,Zn(W2O3)2,-8.4815134955,-0.9567501502,0.7581981157000001,0.7581981157000001,GGA+U,Cmcm,A6B4C_oC44_63_ac2f_2f_c:O-W-Zn,22.0,"Invalid WP multiplicities - A6B4C_oC44_63_ac2f_6f_c:O-W-Zn, expected Zn(W2O)6 to be Zn(W2O3)2" +mp-1042302,ZnW2O7,-8.073257374,-1.8929748691,0.2187840443,0.2187840443,GGA+U,P2_1,A7B2C_mP20_4_7a_2a_a:O-W-Zn,20.0,A7B2C_mP20_4_7a_2a_a:O-W-Zn +mp-1041307,HoZn(WO3)2,-8.419696998,-2.2758424773,0.188468139,0.188468139,GGA+U,P2_1,AB6C2D_mP20_4_a_6a_2a_a:Ho-O-W-Zn,20.0,"Invalid WP multiplicities - AB6C2D_mP20_4_a_12a_3a_a:Ho-O-W-Zn, expected HoZn(WO4)3 to be HoZn(WO3)2" +mp-1045708,Zn(WO3)2,-8.2813227144,-1.9639742325,0.0874562107,0.0874562107,GGA+U,Pmn2_1,A6B2C_oP18_31_2a2b_b_a:O-W-Zn,18.0,"Invalid WP multiplicities - A6B2C_oP18_31_2a3b_b_a:O-W-Zn, expected Zn(WO4)2 to be Zn(WO3)2" +mp-1348101,ZnW5O7,-8.5026003358,-0.7581991251,0.9280087985,0.9280087985,GGA+U,Cmcm,A7B5C_oC52_63_c3f_a2f_c:O-W-Zn,26.0,"Invalid WP multiplicities - A7B5C_oC52_63_c3f_a5f_c:O-W-Zn, expected ZnW11O7 to be ZnW5O7" +mp-1044651,ZnW3O7,-8.5288819298,-1.7324314499,0.2603597325,0.2603597325,GGA+U,Pnma,A7B3C_oP44_62_c3d_cd_c:O-W-Zn,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_c3d_c2d_c:O-W-Zn, expected ZnW5O7 to be ZnW3O7" +mp-1046548,Zn(WO2)4,-8.8242670692,-1.6961305908000002,0.2251751852,0.2251751852,GGA+U,P1,A8B4C_aP13_1_8a_4a_a:O-W-Zn,13.0,A8B4C_aP13_1_8a_4a_a:O-W-Zn +mp-1048601,Zn(WO2)4,-8.68695415,-1.5588176715,0.3624881044,0.3624881044,GGA+U,I4/m,A8B4C_tI26_87_2h_h_a:O-W-Zn,13.0,A8B4C_tI26_87_2h_h_a:O-W-Zn +mp-1044229,Zn(WO2)4,-8.6417018669,-1.5135653885,0.4077403875,0.4077403875,GGA+U,R-3m,A8B4C_hR39_166_ch_bd_a:O-W-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:O-W-Zn, expected Zn(W2O7)2 to be Zn(WO2)4" +mp-1398363,Zn2W3O8,-7.90112496,-1.6728643754,0.2889643573,0.2889643573,GGA+U,C2/m,A8B3C2_mC26_12_2ij_ah_i:O-W-Zn,13.0,A8B3C2_mC26_12_2ij_ah_i:O-W-Zn +mp-1378118,Zn2W3O8,-8.0092316904,-1.7809711058,0.1808576269,0.1808576269,GGA+U,P6_3mc,A8B3C2_hP26_186_ab2c_c_2b:O-W-Zn,26.0,"Invalid WP multiplicities - A8B3C2_hP26_186_a2b3c_c_2b:O-W-Zn, expected Zn2(WO4)3 to be Zn2W3O8" +mp-1427680,ZnWO3,-7.269389574,-1.4578015793,0.481321357,0.481321357,GGA+U,Amm2,A3BC_oC10_38_ae_b_a:O-W-Zn,5.0,A3BC_oC10_38_ae_b_a:O-W-Zn +mp-1340971,ZnWO3,-7.6617559295,-1.8501679348,0.0889550015,0.0889550015,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-W-Zn,20.0,A3BC_oP20_62_cd_a_c:O-W-Zn +mp-1045978,Zn2W9O13,-8.3923795621,-0.7486457064,0.9507348741,0.9507348741,GGA+U,P-1,A13B9C2_aP24_2_b6i_d4i_i:O-W-Zn,24.0,A13B9C2_aP24_2_b6i_d4i_i:O-W-Zn +mp-18918,ZnWO4,-7.72345384,-2.0560157258,0.0023725785,0.0023725785,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:O-W-Zn,12.0,A4BC_mP12_13_2g_e_f:O-W-Zn +mp-545622,ZnWO4,-7.68232216,-2.0148840458,0.0435042585,0.0435042585,GGA+U,C2/c,A4BC_mC24_15_2f_e_e:O-W-Zn,12.0,"Invalid WP multiplicities - A4BC_mC24_15_6f_e_e:O-W-Zn, expected ZnWO12 to be ZnWO4" +mp-645124,ZnWO4,-7.3690230417,-1.7015849275,0.3568033769,0.3568033769,GGA+U,Cmce,A4BC_oC48_64_de2f_f_e:O-W-Zn,24.0,"Invalid WP multiplicities - A4BC_oC48_64_2d3e8f_f_e:O-W-Zn, expected ZnWO13 to be ZnWO4" +mp-1205368,ZnWO4,-7.3027696412,-1.6353315271,0.4230567773,0.4230567773,GGA+U,Cmce,A4BC_oC48_64_de2f_f_e:O-W-Zn,24.0,A4BC_oC48_64_de2f_f_e:O-W-Zn +mp-1205356,ZnWO4,-7.5410920008,-1.8736538867,0.1847344177,0.1847344177,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-W-Zn,12.0,A4BC_tI24_88_f_a_b:O-W-Zn +mp-1355860,Zn(WO2)2,-8.0787634636,-1.3697979043,0.4519002046,0.4519002046,GGA+U,P1,A4B2C_aP42_1_24a_12a_6a:O-W-Zn,42.0,A4B2C_aP42_1_24a_12a_6a:O-W-Zn +mp-1042154,Zn(WO2)2,-8.1183660536,-1.4094004943,0.4122976146,0.4122976146,GGA+U,P1,A4B2C_aP28_1_16a_8a_4a:O-W-Zn,28.0,"Invalid WP multiplicities - A4B2C_mP28_7_14a_5a_2a:O-W-Zn, expected Zn2W5O14 to be Zn(WO2)2" +mp-1042578,Zn(WO2)2,-8.3005221786,-1.5915566193,0.2301414896,0.2301414896,GGA+U,P1,A4B2C_aP14_1_8a_4a_2a:O-W-Zn,14.0,"Invalid WP multiplicities - A4B2C_aP14_2_7i_3i_i:O-W-Zn, expected ZnW3O7 to be Zn(WO2)2" +mp-2371615,Zn(WO2)2,-8.3076418214,-1.5986762621,0.2230218468,0.2230218468,GGA+U,P-1,A4B2C_aP14_2_4i_2i_i:O-W-Zn,14.0,"Invalid WP multiplicities - A4B2C_aP14_2_7i_3i_i:O-W-Zn, expected ZnW3O7 to be Zn(WO2)2" +mp-1327780,Zn(WO2)2,-7.9987421412,-1.289776582,0.5319215270000001,0.5319215270000001,GGA+U,Cm,A4B2C_mC112_8_16a8b_8a4b_8a:O-W-Zn,56.0,"Invalid WP multiplicities - A4B2C_mC112_8_16a16b_8a7b_8a:O-W-Zn, expected Zn4W11O24 to be Zn(WO2)2" +mp-1041123,Zn(WO2)2,-8.2171937636,-1.5082282043,0.3134699046,0.3134699046,GGA+U,Cm,A4B2C_mC84_8_12a6b_6a3b_6a:O-W-Zn,42.0,"Invalid WP multiplicities - A4B2C_mC84_8_12a11b_6a6b_6a:O-W-Zn, expected Zn3W9O17 to be Zn(WO2)2" +mp-1041800,Zn(WO2)2,-8.140126175,-1.4311606157,0.3905374932,0.3905374932,GGA+U,Pbcm,A4B2C_oP28_57_cde_e_d:O-W-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_57_3c3d5e_e_d:O-W-Zn, expected Zn(WO8)2 to be Zn(WO2)2" +mp-1047349,Zn(WO2)2,-8.1075535436,-1.3985879843,0.4231101246,0.4231101246,GGA+U,Pnma,A4B2C_oP28_62_4c_2c_c:O-W-Zn,28.0,A4B2C_oP28_62_4c_2c_c:O-W-Zn +mp-1047722,Zn(WO2)2,-8.1092929329,-1.4003273736,0.4213707354,0.4213707354,GGA+U,Cmcm,A4B2C_oC28_63_acf_f_c:O-W-Zn,14.0,A4B2C_oC28_63_acf_f_c:O-W-Zn +mp-1042079,Zn(WO2)2,-8.0211691771,-1.3122036179,0.5094944911,0.5094944911,GGA+U,Imma,A4B2C_oI28_74_hi_ae_c:O-W-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:O-W-Zn, expected Zn(WO5)2 to be Zn(WO2)2" +mp-1041366,Zn(WO2)2,-8.1736975943,-1.464732035,0.3569660739,0.3569660739,GGA+U,P3m1,A4B2C_hP42_156_2a2b2c6d_2ab3d_a2b3c:O-W-Zn,42.0,"Invalid WP multiplicities - A4B2C_hP42_156_2a2b2c13d_2ab7d_a2b3c:O-W-Zn, expected Zn2W8O15 to be Zn(WO2)2" +mp-1040786,Zn(WO2)2,-8.1433487036,-1.4343831443,0.3873149646,0.3873149646,GGA+U,R3m,A4B2C_hR42_160_2a2b_ab_2a:O-W-Zn,14.0,A4B2C_hR42_160_2a2b_ab_2a:O-W-Zn +mp-1046917,Zn(WO2)2,-8.2569387207,-1.5479731614,0.2737249475,0.2737249475,GGA+U,Fd-3m,A4B2C_cF56_227_e_c_b:O-W-Zn,14.0,A4B2C_cF56_227_e_c_b:O-W-Zn +mp-1201924,RbYbS2O9,-6.2641733044,-2.0093086515,0.1108840454,0.1108840454,GGA,P2_1/c,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Yb,,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Yb +mp-1207131,Rb(YbS2)3,-2.8981646210000003,0.1436411904,1.9893421958,1.9893421958,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Rb-S-Yb,,AB6C3_oC20_65_a_kp_de:Rb-S-Yb +mp-9369,RbYbS2,-4.234481435,-1.5362209134,0.2930080254,0.2930080254,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Yb,,AB2C_hR12_166_a_c_b:Rb-S-Yb +mp-1227943,CsTa4P3S19,-6.3456683724000005,-1.0434843768,0.0,-0.009916469,GGA,Pca2_1,AB3C19D4_oP108_29_a_3a_19a_4a:Cs-P-S-Ta,108.0,"Invalid WP multiplicities - AB3C19D4_oP108_29_a_4a_27a_6a:Cs-P-S-Ta, expected CsTa6P4S27 to be CsTa4P3S19" +mp-553976,CsTaPS6,-5.8814079446,-1.1052766435,0.0,-0.0166909627,GGA,P2_1/c,ABC6D_mP72_14_2e_2e_12e_2e:Cs-P-S-Ta,72.0,"Invalid WP multiplicities - ABC6D_mP72_14_2e_4e_45e_4e:Cs-P-S-Ta, expected Cs2Ta4P4S45 to be CsTaPS6" +mp-555592,CsTaPS6,-5.8797058831,-1.103574582,0.0017020615,-0.0149889012,GGA,P2_1/c,ABC6D_mP144_14_4e_4e_24e_4e:Cs-P-S-Ta,144.0,"Invalid WP multiplicities - ABC6D_mP144_14_12e_12e_92e_12e:Cs-P-S-Ta, expected Cs3Ta3P3S23 to be CsTaPS6" +mp-27673,TaPS6,-6.1723563689,-0.9111339517,0.0,-0.0444252135,GGA,I4_1/acd,AB6C_tI128_142_e_3g_f:P-S-Ta,64.0,"Invalid WP multiplicities - AB6C_tI128_142_e_7g_f:P-S-Ta, expected TaPS14 to be TaPS6" +mp-29313,Ta4P4S29,-5.943558324,-0.8343321973000001,0.0,-0.0463244554,GGA,P4_32_12,A4B29C4_tP148_96_2b_a14b_2b:P-S-Ta,148.0,A4B29C4_tP148_96_2b_a14b_2b:P-S-Ta +mp-1077589,TaPS,-8.083307665,-0.9474643305,0.058206595,0.058206595,GGA,Immm,ABC_oI12_71_g_e_f:P-S-Ta,6.0,ABC_oI12_71_g_e_f:P-S-Ta +mp-1218112,Ta6V3Ni3C2,-9.9792064418,-0.3937689407,0.0,-0.0069896136,GGA,Imm2,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Ni-Ta-V,28.0,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Ni-Ta-V +mp-1217864,TaVNi,-9.1200020158,-0.2127285558,0.0072312515,0.0072312515,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Ni-Ta-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Ni-Ta-V, expected Ta3(VNi)2 to be TaVNi" +mp-1217822,TaVC2,-10.3113915475,-0.4616378763,0.0749181112,0.0749181112,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ta-V,4.0,A2BC_hR12_166_c_a_b:C-Ta-V +mp-1217976,Ta2VC2,-10.770633788,-0.5192753250000001,0.0551008316,0.0551008316,GGA,R-3m,A2B2C_hR15_166_c_c_a:C-Ta-V,5.0,A2B2C_hR15_166_c_c_a:C-Ta-V +mp-1208142,V3(CuS2)4,-5.860984912,-0.7449753237000001,0.2268100648,0.2268100648,GGA,R3m,A4B8C3_hR45_160_ab_2a2b_b:Cu-S-V,15.0,A4B8C3_hR45_160_ab_2a2b_b:Cu-S-V +mp-1221292,Na2VCu3S4,-4.898377379,-0.8411397656,0.0764671107,0.0764671107,GGA,Cm,A3B2C4D_mC20_8_3a_2a_4a_a:Cu-Na-S-V,10.0,A3B2C4D_mC20_8_3a_2a_4a_a:Cu-Na-S-V +mp-1221427,Na(V3S4)2,-7.2083775633,-1.2805401868,0.0,-0.0051935502,GGA,P-3,AB8C6_hP15_147_a_dg_g:Na-S-V,15.0,AB8C6_hP15_147_a_dg_g:Na-S-V +mp-29211,V4Cu3S8,-6.4271572653,-0.9788343837,0.085066619,0.085066619,GGA,R3m,A3B8C4_hR45_160_b_2a2b_ab:Cu-S-V,15.0,"Invalid WP multiplicities - A3B8C4_hR45_160_b_2a4b_ab:Cu-S-V, expected V4Cu3S14 to be V4Cu3S8" +mp-10225,NaVS2,-5.9209328625,-1.2511000882,0.0322727075,0.0322727075,GGA,R3m,AB2C_hR12_160_a_2a_a:Na-S-V,4.0,AB2C_hR12_160_a_2a_a:Na-S-V +mp-999454,NaVS2,-5.9296580075000005,-1.2598252332,0.0235475625,0.0235475625,GGA,P-3m1,AB2C_hP4_164_a_d_b:Na-S-V,4.0,AB2C_hP4_164_a_d_b:Na-S-V +mp-10224,NaVS2,-5.9365178075,-1.2666850332,0.0166877625,0.0166877625,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-V,4.0,AB2C_hR12_166_a_c_b:Na-S-V +mp-1216385,VCuS4,-5.4960374058,-0.5412187046,0.3683506778,0.3683506778,GGA,Imma,AB4C_oI24_74_e_hi_a:Cu-S-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_e_2h2i_a:Cu-S-V, expected VCuS8 to be VCuS4" +mp-3762,VCu3S4,-5.5976706363,-0.8567549428000001,0.0,-0.1709684735,GGA,P-43m,A3B4C_cP8_215_c_e_b:Cu-S-V,8.0,A3B4C_cP8_215_c_e_b:Cu-S-V +mp-676586,Na(VS2)2,-6.4076628757,-1.2596433184,0.0094646664,0.0094646664,GGA,Pm,AB4C2_mP7_6_a_2a2b_ab:Na-S-V,7.0,AB4C2_mP7_6_a_2a2b_ab:Na-S-V +mp-29143,Na3VS4,-4.9917955988,-1.2921354215,0.0,-0.1057604808,GGA,P-42_1c,A3B4C_tP64_114_cd2e_4e_e:Na-S-V,64.0,"Invalid WP multiplicities - A3B4C_tP64_114_cd2e_9e_e:Na-S-V, expected Na3VS9 to be Na3VS4" +mp-1216478,V7(CuS6)2,-6.8981806052,-1.1161256418,0.0529199804,0.0529199804,GGA,P-1,A2B12C7_aP21_2_i_6i_a3i:Cu-S-V,21.0,"Invalid WP multiplicities - A2B12C7_aP21_2_i_10i_a5i:Cu-S-V, expected V11(CuS10)2 to be V7(CuS6)2" +mp-1104259,V2CuS4,-6.5920275971,-1.0473392718,0.0559094831,0.0559094831,GGA,I-4m2,AB4C2_tI28_119_ac_2i_i:Cu-S-V,14.0,AB4C2_oI28_44_ab_2c2d_cd:Cu-S-V +mp-2221507,V2CuS4,-6.5985692421,-1.0538809168,0.0493678381,0.0493678381,GGA,F-43m,AB4C2_cF56_216_ac_2e_e:Cu-S-V,14.0,"Invalid WP multiplicities - AB4C2_cF56_216_ac_3e_e:Cu-S-V, expected V2CuS6 to be V2CuS4" +mp-5178,V2CuS4,-6.5880216664,-1.0433333411,0.0599154138,0.0599154138,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cu-S-V,14.0,AB4C2_cF56_227_a_e_d:Cu-S-V +mp-8667,CeB2C,-7.65745222,-0.5273176727000001,0.0,-0.041295128,GGA,R-3m,A2BC_hR36_166_g_d_ac:B-C-Ce,12.0,A2BC_hR36_166_g_d_ac:B-C-Ce +mp-1226402,Fe46(BC3)3,-8.4927539598,0.0023691506,0.0500836506,0.0500836506,GGA,P1,A3B9C46_aP58_1_3a_9a_46a:B-C-Fe,58.0,A3B9C46_aP58_1_3a_9a_46a:B-C-Fe +mp-1224758,Fe23(BC)3,-8.4245595817,-0.0612954569,0.0341335432,0.0341335432,GGA,R3m,A3B3C23_hR87_160_b_b_5a4bc:B-C-Fe,29.0,"Invalid WP multiplicities - A3B3C23_hR87_160_b_b_5a6b4c:B-C-Fe, expected Fe47(BC)3 to be Fe23(BC)3" +mp-1225026,Fe6BC,-8.4114322019,-0.0704091365,0.0449009053,0.0449009053,GGA,Pmc2_1,ABC6_oP16_26_a_b_ab2c:B-C-Fe,16.0,"Invalid WP multiplicities - ABC6_oP16_26_a_b_ab3c:B-C-Fe, expected Fe8BC to be Fe6BC" +mp-569274,Ce10(B3C4)3,-7.8057368251,-0.3802721994,0.0289938681,0.0289938681,GGA,P4_12_12,A9B12C10_tP124_92_a4b_6b_5b:B-C-Ce,124.0,"Invalid WP multiplicities - A9B12C10_tP124_92_4a26b_41b_35b:B-C-Ce, expected Ce35B28C41 to be Ce10(B3C4)3" +mp-680054,Ce5B4C5,-7.6783378246,-0.3550278017,0.0375974393,0.0375974393,GGA,Pna2_1,A4B5C5_oP112_33_8a_10a_10a:B-C-Ce,112.0,"Invalid WP multiplicities - A4B5C5_oP112_33_29a_40a_37a:B-C-Ce, expected Ce37B29C40 to be Ce5B4C5" +mp-1197596,Ce33Fe13(B9C17)2,-7.8577326963,-0.3076725283,0.0329124605,0.0329124605,GGA,Im-3m,A18B34C33D13_cI196_229_eh_ce2h_bdk_ah:B-C-Ce-Fe,98.0,A18B34C33D13_cI196_229_eh_ce2h_bdk_ah:B-C-Ce-Fe +mp-20908,Ce(BC)2,-7.98279583,-0.4329550937,0.0,-0.0111009555,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Ce,10.0,A2B2C_tP10_127_g_g_b:B-C-Ce +mp-1087507,Ce(BC)2,-7.864751624,-0.3149108877,0.118044206,0.1069432505,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Ce,10.0,A2B2C_tP10_131_j_l_f:B-C-Ce +mp-639306,CeBC,-7.6757795657,-0.3953974262,0.0271594663,0.0271594663,GGA,P2_12_12_1,ABC_oP60_19_5a_5a_5a:B-C-Ce,60.0,"Invalid WP multiplicities - ABC_oP60_19_15a_19a_19a:B-C-Ce, expected Ce19B15C19 to be CeBC" +mp-1045492,Y(MnS2)2,-7.2233325029,-1.3181466221,0.0648940657,0.0648940657,GGA,C2/m,A2B4C_mC28_12_ace_2ij_f:Mn-S-Y,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_ac2e_4i4j_f:Mn-S-Y, expected Y(MnS4)3 to be Y(MnS2)2" +mp-1045339,Y(MnS2)2,-7.2386921107,-1.33350623,0.0495344579,0.0495344579,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Mn-S-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h3i_c:Mn-S-Y, expected Y(MnS6)2 to be Y(MnS2)2" +mp-1045356,Y(MnS2)2,-7.1289543421,-1.2237684614,0.1592722264,0.1592722264,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Mn-S-Y,14.0,A2B4C_tI28_141_c_h_b:Mn-S-Y +mp-1216113,Y4MnS7,-7.417213935,-2.0852932005,0.0284572346,0.0284572346,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Mn-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Mn-S-Y +mp-1216052,Y3SiS2,-7.337071595,-1.8207997444,0.0,-0.0004037006,GGA,Immm,A2BC3_oI12_71_e_a_cf:S-Si-Y,6.0,"Invalid WP multiplicities - A2BC3_oI12_71_e_a_c2f:S-Si-Y, expected Y5SiS2 to be Y3SiS2" +mp-1216082,Y2MnS4,-7.4160047736,-1.8958966327,0.0305038964,0.0305038964,GGA,Cmc2_1,AB4C2_oC28_36_a_4a_2a:Mn-S-Y,14.0,AB4C2_oC28_36_a_4a_2a:Mn-S-Y +mp-1100893,Y6Mn11S20,-7.1012453068,-1.0928671384,0.3474363373,0.3474363373,GGA,C2/m,A11B20C6_mC74_12_a5i_10i_3i:Mn-S-Y,37.0,"Invalid WP multiplicities - A11B20C6_mC74_12_a9i_18i_5i:Mn-S-Y, expected Y10Mn19S36 to be Y6Mn11S20" +mp-1100884,Y6Mn11S20,-7.3173789292,-1.3090007608,0.1313027149,0.1313027149,GGA,R-3m,A11B20C6_hR111_166_a5c_10c_3c:Mn-S-Y,37.0,"Invalid WP multiplicities - A11B20C6_hR111_166_a9c_18c_5c:Mn-S-Y, expected Y10Mn19S36 to be Y6Mn11S20" +mp-686203,Y40Si13S27,-7.1873677995,-1.6764662329000002,0.1568401991,0.1568401991,GGA,R3m,A27B13C40_hR240_160_27a_13a_40a:S-Si-Y,80.0,A27B13C40_hR240_160_27a_13a_40a:S-Si-Y +mp-1216324,Y12Si5S28,-6.7990772251,-1.8980807855,0.0230479048,0.0230479048,GGA,P1,A28B5C12_aP45_1_28a_5a_12a:S-Si-Y,45.0,A28B5C12_aP45_1_28a_5a_12a:S-Si-Y +mp-677445,Y4SiS3,-7.4084356312,-1.9458666208,0.0,-0.0189163525,GGA,I4/mmm,A3BC4_tI16_139_ad_b_ce:S-Si-Y,8.0,A3BC4_tI16_139_ad_b_ce:S-Si-Y +mp-1216090,Y6Mn(SiS7)2,-6.9640457139,-1.8891858805,0.0,-0.0060102491,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mn-S-Si-Y,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mn-S-Si-Y +mp-1094074,ScFe2BO5,-8.6627265219,-2.5865768717,0.0,-0.0115797543,GGA+U,Pbam,AB2C5D_oP36_55_g_adh_3g2h_g:B-Fe-O-Sc,36.0,AB2C5D_oP36_55_g_adh_3g2h_g:B-Fe-O-Sc +mp-675751,Zr7N2O11,-9.9485264625,-3.4025029583,0.0484266602,0.0484266602,GGA,P1,A2B11C7_aP40_1_4a_22a_14a:N-O-Zr,40.0,A2B11C7_aP40_1_4a_22a_14a:N-O-Zr +mp-680356,ZrN6O17,-7.0461565258,-1.1019740979,0.0,-0.0850007063,GGA,I4_1/a,A6B17C_tI384_88_6f_17f_f:N-O-Zr,192.0,"Invalid WP multiplicities - A6B17C_tI384_88_43f_130f_f:N-O-Zr, expected ZrN43O130 to be ZrN6O17" +mp-1211672,Nd6N8O33,-7.1038150947,-1.6029305954000002,0.1408913748,0.1408913748,GGA,P-1,A8B6C33_aP47_2_4i_3i_a16i:N-Nd-O,47.0,A8B6C33_aP47_2_4i_3i_a16i:N-Nd-O +mp-765235,Zr32N17O39,-9.98460712,-3.0736106015,0.0378908338,0.0378908338,GGA,P1,A17B39C32_aP88_1_17a_39a_32a:N-O-Zr,88.0,A17B39C32_aP88_1_17a_39a_32a:N-O-Zr +mp-1180599,NdN3O13,-6.30036899,-0.7659816104,0.344780994,0.344780994,GGA,P2_1/c,A3BC13_mP68_14_3e_e_13e:N-Nd-O,68.0,A3BC13_mP68_14_3e_e_13e:N-Nd-O +mp-1201979,NdN3O13,-6.296366994,-0.7619796143,0.3487829901,0.3487829901,GGA,P2_1/c,A3BC13_mP68_14_3e_e_13e:N-Nd-O,68.0,A3BC13_mP68_14_3e_e_13e:N-Nd-O +mp-755132,Zr3N2O3,-10.01855421,-2.8740344758000003,0.0315906444,0.0180882527,GGA,Cm,A2B3C3_mC32_8_4a_6a_6a:N-O-Zr,16.0,A2B3C3_mC32_8_4a_6a_6a:N-O-Zr +mp-1101160,Zr3N2O3,-10.0501448544,-2.9056251202,0.0,-0.0135023917,GGA,Cm,A2B3C3_mC32_8_4a_6a_6a:N-O-Zr,16.0,A2B3C3_mC32_8_4a_6a_6a:N-O-Zr +mp-754659,Zr3N2O3,-9.9880655238,-2.8435457895000003,0.0620793306,0.0485769389,GGA,Cmc2_1,A2B3C3_oC32_36_2a_3a_3a:N-O-Zr,16.0,"Invalid WP multiplicities - A2B3C3_oC32_36_3a_5a_5a:N-O-Zr, expected Zr5N3O5 to be Zr3N2O3" +mp-755998,Zr3N2O3,-10.0483817519,-2.9038620177,0.0017631025,-0.0117392892,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:N-O-Zr,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_2c2f_2c2f:N-O-Zr, expected Zr3NO3 to be Zr3N2O3" +mp-726392,ZrNO6,-6.9994362788,-1.1788953009,0.5641123576,0.5641123576,GGA,C2/m,AB6C_mC32_12_i_4ij_i:N-O-Zr,16.0,AB6C_mC32_12_i_4ij_i:N-O-Zr +mp-1178610,ZrNO6,-6.9281447856,-1.1076038078,0.6354038508000001,0.6354038508000001,GGA,C2/m,AB6C_mC32_12_i_4ij_i:N-O-Zr,16.0,AB6C_mC32_12_i_4ij_i:N-O-Zr +mp-1190193,ZrNO6,-7.3686058325,-1.5480648547,0.1949428039,0.1949428039,GGA,C2/m,AB6C_mC32_12_i_4ij_i:N-O-Zr,16.0,AB6C_mC32_12_i_4ij_i:N-O-Zr +mp-34584,Zr4N2O5,-10.00115559,-3.1286795967,0.0248112045,0.0248112045,GGA,P1,A2B5C4_aP44_1_8a_20a_16a:N-O-Zr,44.0,A2B5C4_aP44_1_8a_20a_16a:N-O-Zr +mp-34898,Zr4N2O5,-9.9921040434,-3.1196280501,0.0338627511,0.0338627511,GGA,P1,A2B5C4_aP44_1_8a_20a_16a:N-O-Zr,44.0,A2B5C4_aP44_1_8a_20a_16a:N-O-Zr +mp-758272,Zr4N2O5,-10.0066868159,-3.1342108226,0.0192799786,0.0192799786,GGA,I4cm,A2B5C4_tI88_108_2c_c2d_abcd:N-O-Zr,44.0,"Invalid WP multiplicities - A2B5C4_tI88_108_5c_4c10d_2a2b2c5d:N-O-Zr, expected Zr14N5O24 to be Zr4N2O5" +mp-776246,Zr2N2O,-10.0770557325,-2.3340397683000003,0.0046770267,-0.0002468128,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776245,Zr2N2O,-10.0223064327,-2.2792904684,0.0594263266,0.054502487,GGA,P1,A2BC2_aP30_1_12a_6a_12a:N-O-Zr,30.0,A2BC2_aP30_1_12a_6a_12a:N-O-Zr +mp-776260,Zr2N2O,-10.076873923,-2.3338579588,0.0048588362,-6.500330000000001e-05,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776281,Zr2N2O,-10.0755912717,-2.3325753075,0.0061414875,0.0012176479,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776314,Zr2N2O,-10.0760797327,-2.3330637685,0.0056530265,0.0007291869,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776315,Zr2N2O,-10.078376439,-2.3353604748,0.0033563202,-0.0015675193,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-787745,Zr2N2O,-6.8180177395,0.9249982247,3.2637150197,3.2587911802,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776335,Zr2N2O,-10.077619534,-2.3346035698,0.0041132252,-0.0008106143,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776337,Zr2N2O,-10.075929803,-2.3329138388,0.0058029562,0.0008791167,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-787744,Zr2N2O,-6.8014287522,0.941587212,3.280304007,3.2753801674,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-787816,Zr2N2O,-6.4014840455,1.3415319187,3.6802487137,3.6753248742,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776360,Zr2N2O,-10.0776553202,-2.334639356,0.004077439,-0.0008464006,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776362,Zr2N2O,-10.0749263727,-2.3319104085,0.0068063865,0.0018825469,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-756029,Zr2N2O,-10.003263426,-2.2602474618,0.0784693332,0.0735454937,GGA,P1,A2BC2_aP20_1_8a_4a_8a:N-O-Zr,20.0,A2BC2_aP20_1_8a_4a_8a:N-O-Zr +mp-722212,Zr2N2O,-6.6141088342,1.12890713,3.467623925,3.4627000854,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-674947,Zr2N2O,-10.0790600062,-2.336044042,0.002672753,-0.0022510866,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-675993,Zr2N2O,-10.0817327592,-2.338716795,0.0,-0.0049238396,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-766238,Zr2N2O,-10.0769736918,-2.3339577275,0.0047590675,-0.0001647721,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775802,Zr2N2O,-10.078615666,-2.3355997018,0.0031170932,-0.0018067463,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775822,Zr2N2O,-10.079763134,-2.3367471698,0.0019696252,-0.0029542143,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775823,Zr2N2O,-10.076840467,-2.3338245028,0.0048922922,-3.15473e-05,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775824,Zr2N2O,-10.0756651798,-2.3326492155,0.0060675795,0.0011437399,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775843,Zr2N2O,-10.0769084107,-2.3338924465,0.0048243485,-9.94911e-05,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775844,Zr2N2O,-10.0744885848,-2.3314726205,0.0072441745,0.0023203349,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775861,Zr2N2O,-10.0768638897,-2.3338479255,0.0048688695,-5.49701e-05,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775849,Zr2N2O,-9.9855804722,-2.242564508,0.096152287,0.0912284474,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-775866,Zr2N2O,-10.0807391352,-2.337723171,0.000993624,-0.0039302156,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-854026,Zr2N2O,-6.5570295942,1.18598637,3.524703165,3.5197793254,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776363,Zr2N2O,-10.0797847577,-2.3367687935,0.0019480015,-0.0029758381,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1358821,Zr2N2O,-6.797424884,0.9455910802,3.2843078752,3.2793840357,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1354978,Zr2N2O,-6.815977009,0.9270389552,3.2657557502,3.2608319107,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1355084,Zr2N2O,-6.9374937435,0.8055222207,3.1442390157,3.1393151762,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1356710,Zr2N2O,-6.7787535657,0.9642623985,3.3029791935,3.2980553539,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1356724,Zr2N2O,-6.9021301442,0.84088582,3.179602615,3.1746787754,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1379904,Zr2N2O,-6.8001687928,0.9428471715,3.2815639665,3.2766401269,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-1380148,Zr2N2O,-6.8065665618,0.9364494025,3.2751661975,3.2702423579,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Zr,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Zr +mp-776250,Zr2N2O,-9.98876865,-2.2457526858,0.0929641092,0.0880402697,GGA,P-1,A2BC2_aP10_2_2i_i_2i:N-O-Zr,10.0,"Invalid WP multiplicities - A2BC2_mP10_11_3e_e_3e:N-O-Zr, expected Zr3N3O to be Zr2N2O" +mp-775805,Zr2N2O,-10.0002695145,-2.2572535503,0.0814632447,0.0765394052,GGA,C2,A2BC2_mC40_5_4c_abc_4c:N-O-Zr,20.0,"Invalid WP multiplicities - A2BC2_mC40_5_7c_ab2c_6c:N-O-Zr, expected Zr6N7O3 to be Zr2N2O" +mp-756054,Zr2N2O,-9.970016672,-2.2270007078,0.1117160872,0.1067922477,GGA,Pm,A2BC2_mP20_6_3a5b_3ab_4a4b:N-O-Zr,20.0,A2BC2_mP20_6_3a5b_3ab_4a4b:N-O-Zr +mp-755205,Zr2N2O,-9.9789916565,-2.2359756923,0.1027411027,0.0978172632,GGA,Cm,A2BC2_mC40_8_8a_4a_8a:N-O-Zr,20.0,A2BC2_mC40_8_8a_4a_8a:N-O-Zr +mp-775863,Zr2N2O,-10.010861147,-2.2678451828,0.0708716122,0.0659477727,GGA,Cm,A2BC2_mC60_8_12a_6a_12a:N-O-Zr,30.0,A2BC2_mC60_8_12a_6a_12a:N-O-Zr +mp-1101159,Zr2N2O,-10.00316785,-2.2601518858,0.0785649092,0.0736410697,GGA,Cc,A2BC2_mC20_9_2a_a_2a:N-O-Zr,10.0,A2BC2_mC20_9_2a_a_2a:N-O-Zr +mp-2525045,Zr2N2O,-9.992713535,-2.2496975708,0.0890192242,0.0840953847,GGA,P2_1/m,A2BC2_mP10_11_2e_e_2e:N-O-Zr,10.0,"Invalid WP multiplicities - A2BC2_mP10_11_3e_e_3e:N-O-Zr, expected Zr3N3O to be Zr2N2O" +mp-776201,Zr2N2O,-9.987427917,-2.2444119528,0.0943048422,0.0893810027,GGA,C2/m,A2BC2_mC40_12_4i_2i_4i:N-O-Zr,20.0,"Invalid WP multiplicities - A2BC2_mC40_12_6i_2i_8i:N-O-Zr, expected Zr4N3O to be Zr2N2O" +mp-776273,Zr2N2O,-10.0153496873,-2.2723337231,0.0663830719,0.0614592323,GGA,C2/m,A2BC2_mC60_12_6i_3i_6i:N-O-Zr,30.0,"Invalid WP multiplicities - A2BC2_mC60_12_12i_5i_12i:N-O-Zr, expected Zr12N12O5 to be Zr2N2O" +mp-755368,Zr2N2O,-10.0231014047,-2.2800854404,0.0586313546,0.053707515,GGA,C2/m,A2BC2_mC30_12_3i_ai_3i:N-O-Zr,15.0,"Invalid WP multiplicities - A2BC2_mC30_12_5i_ai_5i:N-O-Zr, expected Zr10N10O3 to be Zr2N2O" +mp-776239,Zr2N2O,-9.9831083993,-2.2400924351,0.0986243599,0.0937005203,GGA,C2/c,A2BC2_mC60_15_2e2f_ef_3f:N-O-Zr,30.0,"Invalid WP multiplicities - A2BC2_mC60_15_4e4f_2e3f_8f:N-O-Zr, expected Zr4N3O2 to be Zr2N2O" +mp-776271,Zr2N2O,-9.9989230253,-2.2559070611,0.0828097339,0.0778858943,GGA,C2/c,A2BC2_mC60_15_3f_ef_3f:N-O-Zr,30.0,"Invalid WP multiplicities - A2BC2_mC60_15_5f_ef_9f:N-O-Zr, expected Zr18N10O3 to be Zr2N2O" +mp-776235,Zr2N2O,-9.991813221,-2.2487972568,0.0899195382,0.0849956987,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:N-O-Zr,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_5c:N-O-Zr, expected Zr5N5O to be Zr2N2O" +mp-755576,Zr2N2O,-9.994348289,-2.2513323248,0.0873844702,0.0824606307,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:N-O-Zr,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_5c:N-O-Zr, expected Zr5N5O to be Zr2N2O" +mp-1220242,NdNO6,-6.2597610694,-0.9116642413,0.6652524669000001,0.6652524669000001,GGA,C2/m,ABC6_mC32_12_i_i_4ij:N-Nd-O,16.0,ABC6_mC32_12_i_i_4ij:N-Nd-O +mp-1213443,Nd2(N4O9)3,-6.701479276,-0.7713614914,0.3760083037,0.3760083037,GGA,P4_132,A12B2C27_cP164_213_2de_c_d4e:N-Nd-O,164.0,A12B2C27_cP164_213_2de_c_d4e:N-Nd-O +mp-1220112,NdZrNO2,-9.3182520155,-3.0091079335,0.0542239267,0.0542239267,GGA,P2_1/c,ABC2D_mP20_14_e_e_2e_ad:N-Nd-O-Zr,20.0,ABC2D_mP20_14_e_e_2e_ab:N-Nd-O-Zr +mp-1211366,Nd(NO5)3,-6.0548050103,-0.5822806484,0.4115595766,0.4115595766,GGA,P-1,A3BC15_aP38_2_3i_i_15i:N-Nd-O,38.0,A3BC15_aP38_2_3i_i_15i:N-Nd-O +mp-1353700,Nd(NO5)3,-4.1925488521,1.2799755098,2.2738157348,2.2738157348,GGA,P-1,A3BC15_aP38_2_3i_i_15i:N-Nd-O,38.0,A3BC15_aP38_2_3i_i_15i:N-Nd-O +mp-727394,ZrN2O9,-6.5769623708000005,-0.7652216307,0.6051720930000001,0.6051720930000001,GGA,P-1,A2B9C_aP48_2_4i_18i_2i:N-O-Zr,48.0,A2B9C_aP48_2_4i_18i_2i:N-O-Zr +mp-1204890,ZrN2O9,-6.5958371562,-0.7840964161,0.5862973076,0.5862973076,GGA,P-1,A2B9C_aP48_2_4i_18i_2i:N-O-Zr,48.0,A2B9C_aP48_2_4i_18i_2i:N-O-Zr +mp-776331,Zr5N5O2,-10.0671545625,-2.2076249627,0.0513304027,0.0513304027,GGA,Cm,A5B2C5_mC24_8_5a_2a_5a:N-O-Zr,12.0,A5B2C5_mC24_8_5a_2a_5a:N-O-Zr +mp-754891,Zr5N5O2,-10.0601763204,-2.2006467206,0.0583086448,0.0583086448,GGA,Cm,A5B2C5_mC48_8_10a_4a_10a:N-O-Zr,24.0,A5B2C5_mC48_8_10a_4a_10a:N-O-Zr +mp-1101156,Zr5N5O2,-10.0660377267,-2.2065081269,0.0524472385,0.0524472385,GGA,C2/m,A5B2C5_mC24_12_a2i_i_d2i:N-O-Zr,12.0,"Invalid WP multiplicities - A5B2C5_mC24_12_a3i_i_c3i:N-O-Zr, expected Zr7N7O2 to be Zr5N5O2" +mp-1199401,Nd(NO3)3,-7.1677534526,-1.4525357135,0.0,-0.219841609,GGA,C2/c,A3BC9_mC208_15_6f_cef_18f:N-Nd-O,104.0,A3BC9_mC208_15_6f_aef_18f:N-Nd-O +mp-561974,Zr7(NO2)4,-10.0065163179,-3.0194955916,0.0296307124,0.0296307124,GGA,P1,A4B8C7_aP19_1_4a_8a_7a:N-O-Zr,19.0,A4B8C7_aP19_1_4a_8a_7a:N-O-Zr +mp-35527,Zr7(NO2)4,-10.0042640258,-3.0172432995,0.0318830045,0.0318830045,GGA,P-1,A4B8C7_aP19_2_2i_4i_a3i:N-O-Zr,19.0,"Invalid WP multiplicities - A4B8C7_aP19_2_3i_7i_a5i:N-O-Zr, expected Zr11(N3O7)2 to be Zr7(NO2)4" +mp-1198441,Nd(N5O9)3,-6.1306587552,-0.0056316271,0.8649597771,0.8649597771,GGA,C2/c,A15BC27_mC172_15_e7f_a_e13f:N-Nd-O,86.0,A15BC27_mC172_15_e7f_c_e13f:N-Nd-O +mp-1104288,NdNO5,-7.0148638321,-1.6094229873,0.1927675362,0.1927675362,GGA,P2_1,ABC5_mP14_4_a_a_5a:N-Nd-O,14.0,ABC5_mP14_4_a_a_5a:N-Nd-O +mp-607711,NdNO4,-7.4215625833,-1.9396630496,0.1600323873,0.1600323873,GGA,Pnma,ABC4_oP24_62_c_c_2cd:N-Nd-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_7c5d:N-Nd-O, expected NdNO17 to be NdNO4" +mp-568541,Dy2B4C,-7.0167494557,-0.565348562,0.0,-0.0209933941,GGA,Immm,A4BC2_oI14_71_ef_a_h:B-C-Dy,7.0,"Invalid WP multiplicities - A4BC2_oI14_71_2e2f_a_h:B-C-Dy, expected Dy2B8C to be Dy2B4C" +mp-9936,DyBC,-6.8727683433,-0.0344869756,0.4479748249,0.4479748249,GGA,Cmmm,ABC_oC12_65_g_g_h:B-C-Dy,6.0,ABC_oC12_65_g_g_h:B-C-Dy +mp-15644,DyB2C,-7.3301786778,-0.5316197093,0.0,-0.0159621445,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Dy,32.0,A2BC_tP32_135_2h_h_g:B-C-Dy +mp-18628,Dy5B2C5,-7.3113076587,-0.4333038917,0.0,-0.0433854474,GGA,P4/ncc,A2B5C5_tP48_130_f_cg_cg:B-C-Dy,48.0,A2B5C5_tP48_130_f_cg_cg:B-C-Dy +mp-2958,Dy(BC)2,-7.730670442,-0.4460901687,0.0,-0.0207944012,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Dy,10.0,A2B2C_tP10_127_g_g_b:B-C-Dy +mp-20814,Dy(BC)2,-7.586411567,-0.3018312937,0.144258875,0.1234644738,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Dy,10.0,A2B2C_tP10_131_j_l_f:B-C-Dy +mp-1226156,Dy4Fe28BC,-8.0748527031,-0.0896821589,0.0,-2.00834e-05,GGA,Cmmm,ABC4D28_oC136_65_g_j_ghij_efkl2n2o4r:B-C-Dy-Fe,68.0,"Invalid WP multiplicities - ABC4D28_oC136_65_g_j_ghij_2e2f2k2l4n4o16r:B-C-Dy-Fe, expected Dy4Fe88BC to be Dy4Fe28BC" +mp-12843,YCuS2,-6.3331863494,-1.6235419701,0.0002749269,-0.0121572519,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Cu-S-Y,16.0,AB2C_oP16_62_c_2c_c:Cu-S-Y +mp-10533,YCuS2,-6.3334612763,-1.6238168970000002,0.0,-0.0124321787,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cu-S-Y,16.0,AB2C_oP16_62_c_2c_c:Cu-S-Y +mp-1353425,Y(CuS2)3,-5.0554285242,-0.6971494918000001,0.225135118,0.225135118,GGA,P2_12_12_1,A3B6C_oP40_19_3a_6a_a:Cu-S-Y,40.0,"Invalid WP multiplicities - A3B6C_oP40_19_12a_22a_a:Cu-S-Y, expected Y(Cu6S11)2 to be Y(CuS2)3" +mp-1216184,Y(CuS)3,-5.5185508321,-1.0652021573,0.0,-0.006504721,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-S-Y,14.0,A3B3C_hR42_148_f_f_c:Cu-S-Y +mp-1018642,Y(CuS)2,-5.589794948,-1.0022381106,0.296815407,0.296815407,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-S-Y,5.0,A2B2C_hP5_164_d_d_a:Cu-S-Y +mp-1250066,Y8Cu3(SiS7)3,-6.414964964,-1.6386566723,0.0672875171,0.0672875171,GGA,P2_1,A3B21C3D8_mP70_4_3a_21a_3a_8a:Cu-S-Si-Y,70.0,A3B21C3D8_mP70_4_6a_42a_6a_16a:Cu-S-Si-Y +mp-1352540,Y2(CuS2)3,-5.6768326057,-1.1268997477,0.1959751657,0.1959751657,GGA,Pnma,A3B6C2_oP44_62_cd_2c2d_d:Cu-S-Y,44.0,"Invalid WP multiplicities - A3B6C2_oP44_62_4c4d_8c9d_d:Cu-S-Y, expected YCu6S13 to be Y2(CuS2)3" +mp-561173,Y3CuSiS7,-6.6355866758,-1.8123294168,0.0,-0.0257891425,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Si-Y,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_2b9c_b_c:Cu-S-Si-Y, expected Y3CuSiS29 to be Y3CuSiS7" +mp-755199,VGeO3,-7.8698395135,-2.1604395018,0.0422805114,0.0422805114,GGA+U,C2/c,AB3C_mC40_15_f_3f_2e:Ge-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_3f_4e:Ge-O-V, expected V2GeO3 to be VGeO3" +mp-2214606,V(GeO3)2,-7.4916358022,-2.1571809081,0.0551410987,0.0551410987,GGA+U,P-1,A2B6C_aP18_2_2i_6i_i:Ge-O-V,18.0,"Invalid WP multiplicities - A2B6C_aP18_2_4i_12i_i:Ge-O-V, expected V(GeO3)4 to be V(GeO3)2" +mp-775220,V(GeO3)2,-7.4954645639,-2.1610096697,0.051312337,0.051312337,GGA+U,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-V,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_3e_23e_e:Ge-O-V, expected VGe3O23 to be V(GeO3)2" +mp-1043235,V(GeO3)2,-7.4732744864,-2.1388195922,0.0735024145,0.0735024145,GGA+U,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-V,36.0,A2B6C_mP36_14_2e_6e_e:Ge-O-V +mp-1043195,V(GeO3)2,-7.4998960072,-2.1654411131,0.0468808937,0.0468808937,GGA+U,C2/c,A2B6C_mC36_15_f_3f_e:Ge-O-V,36.0,A2B6C_mC36_15_f_3f_e:Ge-O-V +mp-752409,V2Ge2O7,-7.9037284864,-2.2636658656,0.0221597459,0.0221597459,GGA+U,C2/c,A2B7C2_mC44_15_f_e3f_f:Ge-O-V,22.0,A2B7C2_mC44_15_f_e3f_f:Ge-O-V +mp-674331,V4Ge13O36,-6.8074380236,-1.6278950047,0.5060285771,0.5060285771,GGA+U,P2/m,A13B36C4_mP53_10_a3m3n_9m9n_mn:Ge-O-V,53.0,"Invalid WP multiplicities - A13B36C4_mP53_10_a5m5n_18m16n_mn:Ge-O-V, expected V4Ge21O68 to be V4Ge13O36" +mp-1100933,V4Ge13O36,-7.2682468157,-2.0887037968,0.045219785,0.045219785,GGA+U,P2/m,A13B36C4_mP53_10_a3m3n_9m9n_mn:Ge-O-V,53.0,"Invalid WP multiplicities - A13B36C4_mP53_10_a5m5n_18m16n_mn:Ge-O-V, expected V4Ge21O68 to be V4Ge13O36" +mp-541177,GdVO3,-10.853466169,-3.2534472803,0.0,-0.0377041614,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Gd-O-V,20.0,AB3C_oP20_62_c_cd_a:Gd-O-V +mp-756717,VGeO4,-7.7649983125,-2.1827168508,0.0968056278,0.0968056278,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Ge-O-V,24.0,AB4C_oP24_60_c_2d_c:Ge-O-V +mp-22024,GdVO4,-10.3352398908,-3.1774426983,0.0,-0.2182435292,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Gd-O-V,12.0,AB4C_tI24_141_a_h_b:Gd-O-V +mp-756923,Gd2V2O7,-10.5004436982,-3.1416366437,0.0703535918,0.0703535918,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Gd-O-V,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Gd-O-V, expected Gd3V3O13 to be Gd2V2O7" +mp-773164,Gd2V2O7,-10.4699888064,-3.1111817519,0.1008084836,0.1008084836,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Gd-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Gd-O-V, expected GdVO10 to be Gd2V2O7" +mp-1212996,Gd3VGeO9,-10.407801405,-3.232408616,0.012790165,0.012790165,GGA+U,P2_1/c,A3BC9D_mP56_14_3e_e_9e_e:Gd-Ge-O-V,56.0,A3BC9D_mP56_14_3e_e_9e_e:Gd-Ge-O-V +mp-766107,NaV6O13,-8.415156626,-2.408510878,0.0474195805,0.0474195805,GGA+U,P1,AB13C6_aP40_1_2a_26a_12a:Na-O-V,40.0,AB13C6_aP40_1_2a_26a_12a:Na-O-V +mp-760308,NaV6O13,-8.396451841,-2.389806093,0.0661243655,0.0661243655,GGA+U,C2/m,AB13C6_mC80_12_i_13i_6i:Na-O-V,40.0,"Invalid WP multiplicities - AB13C6_mC80_12_i_25i_11i:Na-O-V, expected NaV11O25 to be NaV6O13" +mp-1274992,Na3V5O10,-7.8953040192,-2.4034155001,0.025281751,0.025281751,GGA+U,P1,A3B10C5_aP18_1_3a_10a_5a:Na-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP18_1_3a_10a_6a:Na-O-V, expected Na3V6O10 to be Na3V5O10" +mp-765742,Na3V5O10,-7.8962987394,-2.4044102204,0.0242870307,0.0242870307,GGA+U,P-1,A3B10C5_aP36_2_ab2i_10i_df4i:Na-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP36_2_ab4i_19i_df8i:Na-O-V, expected Na5V9O19 to be Na3V5O10" +mp-1297798,Na3V5O10,-7.8940286808,-2.4021401618,0.0265570893,0.0265570893,GGA+U,P-1,A3B10C5_aP36_2_ah2i_10i_cf4i:Na-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP36_2_ah3i_17i_cf4i:Na-O-V, expected Na4V5O17 to be Na3V5O10" +mp-1304400,Na3V5O10,-7.8957033711,-2.4038148521,0.024882399,0.024882399,GGA+U,P-1,A3B10C5_aP36_2_3i_10i_be4i:Na-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP36_2_4i_17i_be7i:Na-O-V, expected Na4V8O17 to be Na3V5O10" +mp-1319644,Na3V5O10,-7.8942211422,-2.4023326232,0.0263646279,0.0263646279,GGA+U,P-1,A3B10C5_aP36_2_3i_10i_be4i:Na-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP36_2_5i_17i_be6i:Na-O-V, expected Na5V7O17 to be Na3V5O10" +mp-849263,NaV10O15,-8.8210759056,-2.4225406493,0.0511845767,0.0511845767,GGA+U,Cmce,AB15C10_oC104_64_a_bdef2g_f2g:Na-O-V,52.0,"Invalid WP multiplicities - AB15C10_oC104_64_a_b2d2e4f4g_2f3g:Na-O-V, expected NaV16O33 to be NaV10O15" +mp-1196811,Na5V3O12,-6.5790539585,-1.9178234979,0.1905235691,0.1905235691,GGA+U,C222_1,A5B12C3_oC80_20_a2c_6c_bc:Na-O-V,40.0,A5B12C3_oC80_20_a2c_6c_bc:Na-O-V +mp-761026,Na5VO5,-5.6791092836,-2.0036569115,0.0581902836,0.0581902836,GGA+U,C2/c,A5B5C_mC44_15_e2f_e2f_e:Na-O-V,22.0,"Invalid WP multiplicities - A5B5C_mC44_15_2e7f_e8f_e:Na-O-V, expected Na16VO17 to be Na5VO5" +mp-18233,Na5VO5,-5.7351807755,-2.0597284033,0.0021187918,0.0021187918,GGA+U,Pbcm,A5B5C_oP44_57_c2de_3de_d:Na-O-V,44.0,A5B5C_oP44_57_c2de_3de_d:Na-O-V +mp-1173577,NaV6O15,-8.1896707782,-2.2793847608,0.0656884659,0.0656884659,GGA+U,P1,AB15C6_aP22_1_a_15a_6a:Na-O-V,22.0,AB15C6_aP22_1_a_15a_6a:Na-O-V +mp-757364,NaV6O15,-8.2323280645,-2.3220420472,0.0230311795,0.0230311795,GGA+U,P-1,AB15C6_aP44_2_i_15i_6i:Na-O-V,44.0,"Invalid WP multiplicities - AB15C6_aP44_2_i_29i_12i:Na-O-V, expected NaV12O29 to be NaV6O15" +mp-1190629,NaV6O15,-8.2274054095,-2.3171193922,0.0279538345,0.0279538345,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Na-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Na-O-V +mp-1220850,NaV6O15,-8.2297601427,-2.3194741254,0.0255991014,0.0255991014,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Na-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Na-O-V +mp-648893,Na4V2O7,-6.7912369707,-2.3231804866,0.0049110966,0.0049110966,GGA+U,C2/c,A4B7C2_mC208_15_ce7f_14f_4f:Na-O-V,104.0,"Invalid WP multiplicities - A4B7C2_mC208_15_a2e24f_52f_14f:Na-O-V, expected Na51V28O104 to be Na4V2O7" +mp-755436,Na3VO4,-6.4002095775,-2.2954299781,0.0,-0.092998363,GGA+U,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Na-O-V,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_2a2b_4a2b_a:Na-O-V, expected Na6VO8 to be Na3VO4" +mp-779358,Na3VO4,-6.3525363306,-2.2477567312,0.0476732469,-0.0453251161,GGA+U,Pbca,A3B4C_oP64_61_3c_4c_c:Na-O-V,64.0,"Invalid WP multiplicities - A3B4C_oP64_61_9c_13c_c:Na-O-V, expected Na9VO13 to be Na3VO4" +mp-752917,Na3VO4,-6.3811631625,-2.2763835631,0.019046415,-0.073951948,GGA+U,I-42m,A3B4C_tI16_121_ad_i_b:Na-O-V,8.0,A3B4C_tI16_121_ad_i_b:Na-O-V +mp-1194140,Na2VO4,-6.5482553036,-2.0460108033,0.115788524,0.115788524,GGA+U,P-1,A2B4C_aP28_2_4i_8i_2i:Na-O-V,28.0,A2B4C_aP28_2_4i_8i_2i:Na-O-V +mp-732231,Na2VO4,-6.5425390795,-2.0402945792,0.1215047481,0.1215047481,GGA+U,P2_1/c,A2B4C_mP56_14_4e_8e_2e:Na-O-V,56.0,A2B4C_mP56_14_4e_8e_2e:Na-O-V +mp-755861,NaV3O8,-7.99984959,-2.3208701572,0.0223569358,0.006735255,GGA+U,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:Na-O-V,24.0,"Invalid WP multiplicities - AB8C3_mP24_11_e_4e5f_e2f:Na-O-V, expected NaV5O14 to be NaV3O8" +mp-752972,NaV3O8,-8.0222065258,-2.343227093,0.0,-0.0156216808,GGA+U,P2_1/m,AB8C3_mP24_11_e_8e_3e:Na-O-V,24.0,"Invalid WP multiplicities - AB8C3_mP24_11_e_15e_5e:Na-O-V, expected NaV5O15 to be NaV3O8" +mp-754829,Na4VO4,-5.8559991222,-2.0603588901,0.0,-0.0199766874,GGA+U,P-1,A4B4C_aP18_2_4i_4i_i:Na-O-V,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_7i_i:Na-O-V, expected Na7VO7 to be Na4VO4" +mp-761084,Na5V36O88,-8.2815376269,-2.3207480798,0.0339887873,0.0339887873,GGA+U,Pm,A5B88C36_mP129_6_2a3b_44a44b_18a18b:Na-O-V,129.0,A5B88C36_mP129_6_2a3b_44a44b_18a18b:Na-O-V +mp-1213643,ErV2O2,-7.5983737805,-1.072592106,1.383786803,1.383786803,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Er-O-V,20.0,AB2C2_tI40_141_c_h_h:Er-O-V +mp-753365,NaV3O6,-8.188202114,-2.3627645369,0.1018431217,0.1018431217,GGA+U,C2,AB6C3_mC20_5_a_3c_a2b:Na-O-V,10.0,"Invalid WP multiplicities - AB6C3_mC20_5_a_5c_a2b:Na-O-V, expected NaV3O10 to be NaV3O6" +mp-780893,Na6V2O7,-6.133587109,-2.0849347837,0.0762324125,0.0762324125,GGA+U,Pc,A6B7C2_mP30_7_6a_7a_2a:Na-O-V,30.0,A6B7C2_mP30_7_12a_14a_4a:Na-O-V +mp-760274,NaV4O10,-8.1398546584,-2.3315188794,0.0392875739,0.0392875739,GGA+U,P-1,AB10C4_aP90_2_3i_30i_12i:Na-O-V,90.0,AB10C4_aP90_2_6i_60i_24i:Na-O-V +mp-761263,NaV4O10,-8.1313051787,-2.3229693996,0.0478370537,0.0478370537,GGA+U,C2/m,AB10C4_mC30_12_a_5i_2i:Na-O-V,15.0,"Invalid WP multiplicities - AB10C4_mC30_12_a_9i_3i:Na-O-V, expected NaV6O18 to be NaV4O10" +mp-754732,NaV4O10,-8.130819223,-2.3224834439,0.0483230093,0.0483230093,GGA+U,Cmcm,AB10C4_oC60_63_c_5f_2f:Na-O-V,30.0,"Invalid WP multiplicities - AB10C4_oC60_63_c_18f_5f:Na-O-V, expected NaV10O36 to be NaV4O10" +mp-759863,Na2VO3,-6.6699538383,-2.2417833732,0.0705962821,0.0705962821,GGA+U,C2/m,A2B3C_mC24_12_adg_ij_h:Na-O-V,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2ij_h:Na-O-V, expected Na2VO4 to be Na2VO3" +mp-850201,Na2VO3,-6.6918597479,-2.2636892828,0.0486903725,0.0486903725,GGA+U,Cmc2_1,A2B3C_oC24_36_b_ab_a:Na-O-V,24.0,A2B3C_oC24_36_b_ab_a:Na-O-V +mp-780913,Na2VO3,-6.5568785167,-2.1287080516,0.1836716038,0.1836716038,GGA+U,Fdd2,A2B3C_oF96_43_2b_3b_b:Na-O-V,24.0,"Invalid WP multiplicities - A2B3C_oF96_43_5b_8b_b:Na-O-V, expected Na5VO8 to be Na2VO3" +mp-754331,Na2VO3,-6.6967569046,-2.2685864395,0.0437932158,0.0437932158,GGA+U,Pnma,A2B3C_oP24_62_d_cd_c:Na-O-V,24.0,A2B3C_oP24_62_d_cd_c:Na-O-V +mp-780698,Na2VO3,-6.6455126542,-2.2173421891,0.0950374663,0.0950374663,GGA+U,Fddd,A2B3C_oF96_70_2e_fh_e:Na-O-V,24.0,"Invalid WP multiplicities - A2B3C_oF96_70_5e_2f2h_e:Na-O-V, expected Na5VO6 to be Na2VO3" +mp-752583,NaV5O10,-8.4246490106,-2.4115900884,0.0592111585,0.0592111585,GGA+U,P1,AB10C5_aP16_1_a_10a_5a:Na-O-V,16.0,AB10C5_aP16_1_a_10a_5a:Na-O-V +mp-560778,Na9V14O35,-7.7939273406,-2.4109701421,0.0037353861,0.0037353861,GGA+U,P2/c,A9B35C14_mP116_13_e4g_f17g_7g:Na-O-V,116.0,"Invalid WP multiplicities - A9B35C14_mP116_13_2e14g_2f67g_26g:Na-O-V, expected Na15V26O68 to be Na9V14O35" +mp-19083,NaVO3,-7.429649651,-2.3803501516,0.0,-0.0475472938,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Na-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_15_2e_5f_f:Na-O-V, expected NaVO5 to be NaVO3" +mp-1101657,NaVO3,-7.3867767055,-2.3374772061,0.0428729455,-0.0046743483,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Na-O-V,20.0,"Invalid WP multiplicities - AB3C_oI40_72_f_2g7j_j:Na-O-V, expected NaVO9 to be NaVO3" +mp-555665,NaVO3,-7.428562236,-2.3792627366,0.001087415,-0.0464598788,GGA+U,Pnma,AB3C_oP20_62_c_3c_c:Na-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_9c_c:Na-O-V, expected NaVO9 to be NaVO3" +mp-763901,NaVO3,-7.386636209,-2.3373367096,0.043013442,-0.0045338518,GGA+U,Ibam,AB3C_oI40_72_f_g2j_j:Na-O-V,20.0,"Invalid WP multiplicities - AB3C_oI40_72_f_2g7j_j:Na-O-V, expected NaVO9 to be NaVO3" +mp-1099591,NaVO3,-7.287729564,-2.2384300646,0.141920087,0.0943727932,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-V,5.0,AB3C_cP5_221_a_c_b:Na-O-V +mp-765721,Na4V3O8,-7.0758729813,-2.2681843764,0.0960467021,0.0960467021,GGA+U,P2_1/m,A4B8C3_mP30_11_4e_8e_3e:Na-O-V,30.0,"Invalid WP multiplicities - A4B8C3_mP30_11_7e_15e_5e:Na-O-V, expected Na7V5O15 to be Na4V3O8" +mp-755905,Na3VO3,-5.9149807607,-1.9304738916,0.0644079692,0.0644079692,GGA+U,P-1,A3B3C_aP14_2_3i_3i_i:Na-O-V,14.0,A3B3C_aP14_2_3i_3i_i:Na-O-V +mp-760953,Na3VO3,-5.9121975868,-1.9276907176,0.0671911431,0.0671911431,GGA+U,P2_1/c,A3B3C_mP28_14_3e_3e_e:Na-O-V,28.0,A3B3C_mP28_14_3e_3e_e:Na-O-V +mp-774259,Na3VO3,-5.8920333682,-1.9075264991,0.0873553617,0.0873553617,GGA+U,P2_1/c,A3B3C_mP28_14_3e_3e_e:Na-O-V,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_11e_9e_e:Na-O-V, expected Na11VO9 to be Na3VO3" +mp-778222,Na3VO3,-5.9053813432,-1.9208744741,0.0740073867,0.0740073867,GGA+U,C2/c,A3B3C_mC56_15_2e2f_3f_f:Na-O-V,28.0,A3B3C_mC56_15_2e2f_3f_f:Na-O-V +mp-760173,NaV24O58,-8.4000306286,-2.3007027222,0.0314863987,0.0314863987,GGA+U,P1,AB58C24_aP83_1_a_58a_24a:Na-O-V,83.0,AB58C24_aP83_1_a_58a_24a:Na-O-V +mp-780759,NaV13O18,-8.8380817256,-2.3239035692,0.0821405316,0.0821405316,GGA+U,P1,AB18C13_aP32_1_a_18a_13a:Na-O-V,32.0,AB18C13_aP32_1_a_18a_13a:Na-O-V +mp-1101727,NaV13O18,-8.858154560300001,-2.3439764039,0.0620676969,0.0620676969,GGA+U,R-3,AB18C13_hR96_148_a_3f_b2f:Na-O-V,32.0,"Invalid WP multiplicities - AB18C13_hR96_148_a_11f_b8f:Na-O-V, expected NaV49O66 to be NaV13O18" +mp-1101683,NaV5O8,-8.542644795,-2.3772472712,0.1040546384,0.1040546384,GGA+U,P1,AB8C5_aP14_1_a_8a_5a:Na-O-V,14.0,AB8C5_aP14_1_a_8a_5a:Na-O-V +mp-765705,NaV5O8,-8.5384481693,-2.3730506455,0.1082512641,0.1082512641,GGA+U,C2,AB8C5_mC28_5_a_4c_b2c:Na-O-V,14.0,"Invalid WP multiplicities - AB8C5_mC28_5_a_8c_b4c:Na-O-V, expected NaV9O16 to be NaV5O8" +mp-1304173,NaV5O8,-8.5692377764,-2.4038402526,0.077461657,0.077461657,GGA+U,C2,AB8C5_mC56_5_c_8c_ab4c:Na-O-V,28.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_4i_2c2i:Na-O-V, expected NaV6O8 to be NaV5O8" +mp-756085,NaV5O8,-8.5705241279,-2.405126604,0.0761753055,0.0761753055,GGA+U,C2/m,AB8C5_mC28_12_a_4i_d2i:Na-O-V,28.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_4i_2c4i:Na-O-V, expected NaV10O8 to be NaV5O8" +mp-760237,NaV5O8,-8.5026051857,-2.3372076619,0.1440942477,0.1440942477,GGA+U,C2/m,AB8C5_mC28_12_a_4i_c2i:Na-O-V,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_8i_d4i:Na-O-V, expected NaV9O16 to be NaV5O8" +mp-774833,NaV5O8,-8.5825749689,-2.4171774451,0.0641244645,0.0641244645,GGA+U,P4_332,AB8C5_cP56_212_a_ce_cd:Na-O-V,56.0,"Invalid WP multiplicities - AB8C5_cP56_212_a_8c8e_4c4d:Na-O-V, expected NaV20O64 to be NaV5O8" +mp-1198236,NaV2O5,-7.9379803481,-2.4100077244,0.0081325806,0.0081325806,GGA+U,C2/c,AB5C2_mC128_15_4e_10f_4f:Na-O-V,64.0,"Invalid WP multiplicities - AB5C2_mC128_15_5e_12f_4f:Na-O-V, expected Na5V8O24 to be NaV2O5" +mp-505821,NaV2O5,-7.9338685275,-2.4058959038,0.0122444012,0.0122444012,GGA+U,Pmn2_1,AB5C2_oP16_31_a_5a_2a:Na-O-V,16.0,"Invalid WP multiplicities - AB5C2_oP16_31_a_7a_3a:Na-O-V, expected NaV3O7 to be NaV2O5" +mp-1180149,NaV2O5,-7.8674231938,-2.33945057,0.078689735,0.078689735,GGA+U,Pmn2_1,AB5C2_oP16_31_a_5a_2a:Na-O-V,16.0,AB5C2_oP16_31_a_5a_2a:Na-O-V +mp-565227,NaV2O5,-7.9291891748,-2.4012165511,0.0169237539,0.0169237539,GGA+U,Fmm2,AB5C2_oF256_42_4a2b_10c2d4e_4c2e:Na-O-V,64.0,"Invalid WP multiplicities - AB5C2_oF256_42_4a3b_19c4d16e_7c7e:Na-O-V, expected Na5V21O55 to be NaV2O5" +mp-19111,NaV2O5,-7.9200343463,-2.3920617225,0.0260785825,0.0260785825,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Na-O-V,16.0,"Invalid WP multiplicities - AB5C2_oP16_59_a_2b4e_e:Na-O-V, expected NaV2O10 to be NaV2O5" +mp-1101677,NaV2O5,-7.8672106494,-2.3392380257,0.0789022794,0.0789022794,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Na-O-V,16.0,"Invalid WP multiplicities - AB5C2_oP16_59_a_2b6e_e:Na-O-V, expected NaV2O14 to be NaV2O5" +mp-760908,NaV2O5,-7.940003805,-2.4120311813,0.0061091237,0.0061091237,GGA+U,Pnma,AB5C2_oP32_62_c_5c_2c:Na-O-V,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_5c:Na-O-V, expected NaV5O17 to be NaV2O5" +mp-753218,NaV2O5,-7.8961457656,-2.3681731419,0.0499671631,0.0499671631,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Na-O-V,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_2c4f_f:Na-O-V, expected NaV2O10 to be NaV2O5" +mp-861842,NaV8O20,-8.275498493,-2.3124795937,0.0192833434,0.0192833434,GGA+U,P1,AB20C8_aP87_1_3a_60a_24a:Na-O-V,87.0,AB20C8_aP87_1_3a_60a_24a:Na-O-V +mp-760967,Na2V13O22,-8.6498289399,-2.4454240441,0.0543003515,0.0543003515,GGA+U,Cmce,A2B22C13_oC148_64_f_e2f4g_adf2g:Na-O-V,74.0,"Invalid WP multiplicities - A2B22C13_oC148_64_f_2e6f14g_2a4d2f6g:Na-O-V, expected NaV19O36 to be Na2V13O22" +mp-759073,Na5V12O32,-7.9465614988,-2.3564892933,0.0027565954,0.0027565954,GGA+U,Cm,A5B32C12_mC98_8_3ab_16a8b_6a3b:Na-O-V,49.0,A5B32C12_mC98_8_3ab_16a8b_6a3b:Na-O-V +mp-18880,ErVO4,-8.75072924,-3.1776659525,0.0358429858,-0.1510991563,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Er-O-V,12.0,AB4C_tI24_88_a_f_b:Er-O-V +mp-18960,ErVO4,-8.7865722258,-3.2135089383,0.0,-0.1869421421,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Er-O-V,12.0,AB4C_tI24_141_a_h_b:Er-O-V +mp-863288,Na3V5O23,-6.5312650592,-1.2680087176,0.4069018189,0.4069018189,GGA+U,P-1,A3B23C5_aP62_2_3i_23i_5i:Na-O-V,62.0,A3B23C5_aP62_2_3i_23i_5i:Na-O-V +mp-753393,NaVO2,-7.3544613125,-2.279509116,0.0667698938,-0.0413278732,GGA+U,P-3m1,AB2C_hP4_164_a_d_b:Na-O-V,8.0,AB2C_mC8_12_a_i_d:Na-O-V +mp-19391,NaVO2,-7.4212312063,-2.3462790098,0.0,-0.1080977669,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Na-O-V,16.0,AB2C_hR12_166_a_c_b:Na-O-V +mp-1220930,NaV6O14,-8.262669119,-2.3064975157,0.0958282064,0.0958282064,GGA+U,Cm,AB14C6_mC42_8_a_14a_6a:Na-O-V,21.0,AB14C6_mC42_8_a_14a_6a:Na-O-V +mp-849512,Na7V2O6,-5.5857598423,-1.7787184116,0.0831713251,0.0831713251,GGA+U,C2/c,A7B6C2_mC60_15_e3f_3f_f:Na-O-V,30.0,"Invalid WP multiplicities - A7B6C2_mC60_15_2e11f_11f_f:Na-O-V, expected Na12VO11 to be Na7V2O6" +mp-1305038,Na3V3O8,-7.42459442,-2.3679655785,0.0220580675,0.0220580675,GGA+U,C2/m,A3B8C3_mC56_12_3i_4i2j_ad2i:Na-O-V,28.0,"Invalid WP multiplicities - A3B8C3_hP14_164_ad_di_2b2d:Na-O-V, expected Na3V6O8 to be Na3V3O8" +mp-1176342,Na3V3O8,-7.4250491175,-2.368420276,0.02160337,0.02160337,GGA+U,P-3m1,A3B8C3_hP14_164_ad_di_bd:Na-O-V,28.0,A3B8C3_hP14_164_ad_di_bd:Na-O-V +mp-777227,Na8V2O7,-5.5797851312,-1.8518536332,0.0603465455,0.0603465455,GGA+U,P2_1/c,A8B7C2_mP68_14_8e_7e_2e:Na-O-V,68.0,"Invalid WP multiplicities - A8B7C2_mP68_14_31e_27e_3e:Na-O-V, expected Na31V3O27 to be Na8V2O7" +mp-1176383,Na3V24O58,-8.3240002899,-2.3370677391,0.022671483,0.022671483,GGA+U,P1,A3B58C24_aP85_1_3a_58a_24a:Na-O-V,85.0,A3B58C24_aP85_1_3a_58a_24a:Na-O-V +mp-555537,Na3ErV2O8,-7.4304738271,-2.69642979,0.0,-0.0075374004,GGA+U,P2_1/c,AB3C8D2_mP28_14_a_de_4e_e:Er-Na-O-V,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_14_a_2d2e_11e_e:Er-Na-O-V, expected Na6ErV2O22 to be Na3ErV2O8" +mp-1280642,Na2V2O5,-7.3977012567,-2.3370005585,0.054499148,0.054499148,GGA+U,Cc,A2B5C2_mC36_9_2a_5a_2a:Na-O-V,18.0,"Invalid WP multiplicities - A2B5C2_mC36_9_4a_9a_2a:Na-O-V, expected Na4V2O9 to be Na2V2O5" +mp-764595,Na2V2O5,-7.3598848742,-2.299184176,0.0923155305,0.0923155305,GGA+U,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Na-O-V,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_5e_17e_5e:Na-O-V, expected Na5V5O17 to be Na2V2O5" +mp-780306,Na2V2O5,-7.3535246318,-2.2928239337,0.0986757728,0.0986757728,GGA+U,P2_1/c,A2B5C2_mP72_14_4e_10e_4e:Na-O-V,72.0,"Invalid WP multiplicities - A2B5C2_mP72_14_7e_23e_7e:Na-O-V, expected Na7V7O23 to be Na2V2O5" +mp-1076048,Na2V2O5,-7.3810776117,-2.3203769135,0.071122793,0.071122793,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:Na-O-V,18.0,A2B5C2_oI36_46_c_b2c_ab:Na-O-V +mp-778104,Na2V2O5,-7.3652574231,-2.3045567249,0.0869429816,0.0869429816,GGA+U,Pbcn,A2B5C2_oP36_60_d_c2d_d:Na-O-V,36.0,"Invalid WP multiplicities - A2B5C2_oP36_60_d_2c6d_d:Na-O-V, expected NaVO7 to be Na2V2O5" +mp-1238453,Er2V10O53,-6.5686509897,-0.9971279125,0.5825669185,0.5825669185,GGA+U,P-1,A2B53C10_aP65_2_i_a26i_5i:Er-O-V,65.0,A2B53C10_aP65_2_i_a26i_5i:Er-O-V +mp-1212989,ErVO2,-8.4493208931,-2.5630703175000003,0.5074033188,0.5074033188,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Er-O-V,16.0,AB2C_tI32_141_c_h_d:Er-O-V +mp-557578,NaV6O11,-8.595634985,-2.4712162329,0.0194062037,0.0194062037,GGA+U,Cmc2_1,AB11C6_oC72_36_a_5a3b_4ab:Na-O-V,36.0,"Invalid WP multiplicities - AB11C6_oC72_36_a_10a11b_7a4b:Na-O-V, expected NaV15O32 to be NaV6O11" +mp-18528,NaV6O11,-8.3578798347,-2.2334610827,0.257161354,0.257161354,GGA+U,P6_3mc,AB11C6_hP36_186_b_2b3c_2abc:Na-O-V,36.0,AB11C6_hP36_186_b_2b3c_2abc:Na-O-V +mp-555198,NaV6O11,-8.2237789875,-2.0993602354,0.3912622012,0.3912622012,GGA+U,P6_3/mmc,AB11C6_hP36_194_c_fhk_deg:Na-O-V,36.0,"Invalid WP multiplicities - AB11C6_hP36_194_c_3f3h4k_2d2e5g:Na-O-V, expected NaV21O39 to be NaV6O11" +mp-510616,NaV6O11,-8.5790977175,-2.4546789654,0.0359434712,0.0359434712,GGA+U,P6_3/mmc,AB11C6_hP36_194_c_fhk_deg:Na-O-V,36.0,"Invalid WP multiplicities - AB11C6_hP36_194_c_f2h2k_deg:Na-O-V, expected NaV6O20 to be NaV6O11" +mp-19205,ErVO3,-9.0096174565,-3.3112792538,0.0,-0.0146949824,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Er-O-V,20.0,AB3C_oP20_62_c_cd_a:Er-O-V +mp-765656,Na5V7O14,-7.7387194596,-2.3751190398,0.0282187524,0.0282187524,GGA+U,P-1,A5B14C7_aP26_2_b2i_7i_d3i:Na-O-V,26.0,"Invalid WP multiplicities - A5B14C7_aP26_2_b3i_11i_d5i:Na-O-V, expected Na7V11O22 to be Na5V7O14" +mp-753267,Na2V6O13,-8.1922779676,-2.4086855746,0.0407020894,0.0407020894,GGA+U,C2/m,A2B13C6_mC42_12_i_a6i_3i:Na-O-V,21.0,"Invalid WP multiplicities - A2B13C6_mC42_12_i_a11i_5i:Na-O-V, expected Na2V10O23 to be Na2V6O13" +mp-778594,Na2V6O15,-8.053666097,-2.3428479371,0.0444224646,0.0444224646,GGA+U,Cm,A2B15C6_mC46_8_2a_15a_6a:Na-O-V,23.0,A2B15C6_mC46_8_2a_15a_6a:Na-O-V +mp-755214,Na2V6O15,-8.0406629922,-2.3298448324,0.0574255693,0.0574255693,GGA+U,C2/m,A2B15C6_mC46_12_i_a7i_3i:Na-O-V,23.0,"Invalid WP multiplicities - A2B15C6_mC46_12_i_a13i_5i:Na-O-V, expected Na2V10O27 to be Na2V6O15" +mp-1101696,Na5VO4,-5.3495118017,-1.8011830635,0.0531399376,0.0531399376,GGA+U,Pmmn,A5B4C_oP20_59_ag_ef_b:Na-O-V,40.0,A5B4C_oP20_59_ag_ef_b:Na-O-V +mp-774376,Na5VO4,-5.3431632409,-1.7948345027,0.0594884985,0.0594884985,GGA+U,Pbca,A5B4C_oP80_61_5c_4c_c:Na-O-V,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:Na-O-V, expected Na17VO13 to be Na5VO4" +mp-774963,Na5VO4,-5.3270310393,-1.778702301,0.0756207001,0.0756207001,GGA+U,Pbca,A5B4C_oP80_61_5c_4c_c:Na-O-V,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:Na-O-V, expected Na17VO13 to be Na5VO4" +mp-775962,Na4V2O5,-6.4040289014,-2.0229964586,0.0996661836,0.0996661836,GGA+U,Fddd,A4B5C2_oF88_70_h_a2e_f:Na-O-V,22.0,"Invalid WP multiplicities - A4B5C2_oF88_70_h_2a8e_f:Na-O-V, expected Na2VO9 to be Na4V2O5" +mp-1276496,NaV2O4,-8.0230281007,-2.4120149181,0.0308459895,0.0308459895,GGA+U,P-1,AB4C2_aP14_2_i_4i_2i:Na-O-V,14.0,"Invalid WP multiplicities - AB4C2_aP14_2_i_8i_3i:Na-O-V, expected NaV3O8 to be NaV2O4" +mp-1286827,NaV2O4,-8.0303434232,-2.4193302406,0.023530667,0.023530667,GGA+U,Pm,AB4C2_mP28_6_2a2b_8c_4c:Na-O-V,28.0,AB4C2_aP28_1_4a_16a_8a:Na-O-V +mp-1303308,NaV2O4,-8.0348220489,-2.4238088663,0.0190520413,0.0190520413,GGA+U,Pm,AB4C2_mP28_6_2a2b_8a8b_4a4b:Na-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_4c_4c:Na-O-V, expected NaV4O4 to be NaV2O4" +mp-1272968,NaV2O4,-8.0295691043,-2.4185559217,0.0243049859,0.0243049859,GGA+U,Cc,AB4C2_mC28_9_a_4a_2a:Na-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_9_a_6a_3a:Na-O-V, expected NaV3O6 to be NaV2O4" +mp-1104369,NaV2O4,-8.0205834579,-2.4095702752,0.0332906323,0.0332906323,GGA+U,C2/c,AB4C2_mC28_15_e_2f_f:Na-O-V,14.0,AB4C2_mC28_15_e_2f_f:Na-O-V +mp-1312265,NaV2O4,-8.0140536671,-2.4030404845,0.0398204231,0.0398204231,GGA+U,C2/c,AB4C2_mC28_15_e_2f_ac:Na-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_15_e_3f_2a2c:Na-O-V, expected NaV4O6 to be NaV2O4" +mp-1296331,NaV2O4,-8.0428731886,-2.4318600059,0.0110009016,0.0110009016,GGA+U,Pmn2_1,AB4C2_oP28_31_2a_8a_4a:Na-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_31_4a_16a_4a:Na-O-V, expected NaVO4 to be NaV2O4" +mp-783905,NaV2O4,-8.0364844579,-2.4254712752,0.0173896323,0.0173896323,GGA+U,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Na-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_59_ab_2eg_2c2e:Na-O-V, expected NaV4O4 to be NaV2O4" +mp-642750,NaV2O4,-8.0328481793,-2.4218349967,0.0210259109,0.0210259109,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Na-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_12c_4c:Na-O-V, expected NaV4O12 to be NaV2O4" +mp-773628,NaV2O4,-7.9789762257,-2.3679630431,0.0748978645,0.0748978645,GGA+U,I4_1/amd,AB4C2_tI28_141_a_h_d:Na-O-V,14.0,AB4C2_tI28_141_a_h_d:Na-O-V +mp-756338,NaV2O4,-7.9340699893,-2.3230568067,0.1198041009,0.1198041009,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Na-O-V,14.0,AB4C2_cF56_227_a_e_d:Na-O-V +mp-557315,Na2V3O7,-7.8025513061,-2.4255854915,0.0,-0.0107644164,GGA+U,P-3,A2B7C3_hP72_147_ab2dg_7g_3g:Na-O-V,72.0,"Invalid WP multiplicities - A2B7C3_hP72_147_ab4d2g_39g_17g:Na-O-V, expected Na11V51O117 to be Na2V3O7" +mp-29793,Na2V3O7,-7.8013384044,-2.4243725898,0.0012129017,-0.0095515148,GGA+U,P31c,A2B7C3_hP72_159_a2bc_7c_3c:Na-O-V,72.0,"Invalid WP multiplicities - A2B7C3_hP72_163_bfh_2h6i_h2i:Na-O-V, expected Na2V5O14 to be Na2V3O7" +mp-557684,Er2V2O7,-8.8815925768,-3.251586146,0.0063638448,0.0063638448,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Er-O-V, expected ErVO7 to be Er2V2O7" +mp-1193514,SrV3O11,-7.092438086,-1.5354522535,0.6026365255,0.6026365255,GGA+U,P2_1/m,A11BC3_mP30_11_3e4f_e_ef:O-Sr-V,30.0,A11BC3_mP30_11_3e4f_e_ef:O-Sr-V +mp-1200041,SrV6O11,-8.7633964128,-2.6185905407,0.0332542295,0.0332542295,GGA+U,Cmc2_1,A11BC6_oC72_36_5a3b_a_4ab:O-Sr-V,36.0,A11BC6_hP36_194_fhk_c_deg:O-Sr-V +mp-16974,SrV6O11,-8.7370523022,-2.5922464302,0.0595983401,0.0595983401,GGA+U,P6_3mc,A11BC6_hP36_186_2b3c_b_2abc:O-Sr-V,36.0,A11BC6_hP36_194_fhk_c_deg:O-Sr-V +mp-555227,SrV6O11,-8.3692527739,-2.2244469018,0.4273978684,0.4273978684,GGA+U,P6_3/mmc,A11BC6_hP36_194_fhk_c_deg:O-Sr-V,36.0,"Invalid WP multiplicities - A11BC6_hP36_194_4f5h8k_c_2d3e4g:O-Sr-V, expected SrV20O71 to be SrV6O11" +mp-16924,SrV6O11,-8.7634280875,-2.6186222154000003,0.0332225548,0.0332225548,GGA+U,P6_3/mmc,A11BC6_hP36_194_fhk_c_deg:O-Sr-V,36.0,A11BC6_hP36_194_fhk_c_deg:O-Sr-V +mp-19386,Sr3V2O8,-7.8507504085,-3.0192271631,0.0,-0.0615169513,GGA+U,R-3m,A8B3C2_hR39_166_ch_ac_c:O-Sr-V,13.0,"Invalid WP multiplicities - A8B3C2_hR39_166_c2h_ac_c:O-Sr-V, expected Sr3V2O14 to be Sr3V2O8" +mp-18717,SrVO3,-8.00291119,-2.8802180586,0.0391016769,0.0391016769,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-V,5.0,A3BC_cP5_221_c_a_b:O-Sr-V +mp-21303,Sr4V3O10,-7.8192732559,-2.9088862479,0.0469774152,0.0469774152,GGA+U,I4/mmm,A10B4C3_tI34_139_c2eg_2e_ae:O-Sr-V,17.0,"Invalid WP multiplicities - A10B4C3_tI34_139_2c3eg_2e_ae:O-Sr-V, expected Sr4V3O14 to be Sr4V3O10" +mp-1179552,SrV12O30,-7.9200920878,-1.8945798173,0.5039265984,0.5039265984,GGA+U,P2_1/m,A30BC12_mP86_11_10e10f_e_4e4f:O-Sr-V,86.0,A30BC12_mP86_11_10e10f_e_4e4f:O-Sr-V +mp-510250,SrV13O18,-8.9087401278,-2.3830942164,0.0577378763,0.0577378763,GGA+U,R-3,A18BC13_hR96_148_3f_a_b2f:O-Sr-V,32.0,A18BC13_hR96_148_3f_a_b2f:O-Sr-V +mp-1216518,V3MoO6,-9.107368366,-2.3296183073,0.0269057563,0.0269057563,GGA+U,R3,AB6C3_hR30_146_a_2b_3a:Mo-O-V,10.0,AB6C3_hR30_146_a_2b_3a:Mo-O-V +mp-22391,Sr3V2O7,-7.7905993242,-2.9686732009,0.0,-0.0024391285,GGA+U,I4/mmm,A7B3C2_tI24_139_aeg_be_e:O-Sr-V,12.0,"Invalid WP multiplicities - A7B3C2_tI24_139_a2eg_be_e:O-Sr-V, expected Sr3V2O9 to be Sr3V2O7" +mp-1100928,VMoO5,-8.4946815046,-2.1142529708,0.0493865106,0.0493865106,GGA+U,P1,AB5C_aP35_1_5a_25a_5a:Mo-O-V,35.0,AB5C_aP35_1_5a_25a_5a:Mo-O-V +mp-22006,VMoO5,-8.5290658593,-2.1486373255,0.0150021559,0.0150021559,GGA+U,P4/n,AB5C_tP14_85_a_cg_c:Mo-O-V,14.0,"Invalid WP multiplicities - AB5C_tP14_85_a_c2g_c:Mo-O-V, expected VMoO9 to be VMoO5" +mp-674948,VMoO5,-8.4885217107,-2.108093177,0.0555463045,0.0555463045,GGA+U,Cm,AB5C_mC14_8_a_5a_a:Mo-O-V,14.0,AB5C_mC14_8_a_5a_a:Mo-O-V +mp-1100912,VMoO5,-8.49175994,-2.1113314063,0.0523080752,0.0523080752,GGA+U,Cm,AB5C_mC14_8_a_5a_a:Mo-O-V,7.0,AB5C_mC14_8_a_5a_a:Mo-O-V +mp-1173194,Sr8V6O19,-7.622955467,-2.7136685106,0.2143827037,0.2143827037,GGA+U,Cm,A19B8C6_mC66_8_7a6b_8a_6a:O-Sr-V,33.0,"Invalid WP multiplicities - A19B8C6_mC66_8_7a12b_8a_6a:O-Sr-V, expected Sr8V6O31 to be Sr8V6O19" +mp-1218609,Sr8V6O19,-7.8184137412,-2.9091267848,0.0189244294,0.0189244294,GGA+U,Amm2,A19B8C6_oC66_38_3a4b3f_4a4b_3a3b:O-Sr-V,33.0,A19B8C6_oC66_38_3a4b3f_4a4b_3a3b:O-Sr-V +mp-510725,SrV3O7,-8.4901983036,-2.7112862453,0.0029016615,0.0029016615,GGA+U,Pmmn,A7BC3_oP22_59_aeg_b_ae:O-Sr-V,22.0,"Invalid WP multiplicities - A7BC3_oP22_59_aeg_b_2a2e:O-Sr-V, expected SrV6O7 to be SrV3O7" +mp-542104,SrV3O7,-8.4895165475,-2.7106044891,0.0035834176,0.0035834176,GGA+U,Pnma,A7BC3_oP44_62_c3d_c_cd:O-Sr-V,44.0,A7BC3_oP44_62_c3d_c_cd:O-Sr-V +mp-772957,SrV4O10,-8.4339815977,-2.6011812746,0.0,-0.0049600776,GGA+U,P-1,A10BC4_aP30_2_10i_i_4i:O-Sr-V,30.0,"Invalid WP multiplicities - A10BC4_aP30_2_19i_i_6i:O-Sr-V, expected SrV6O19 to be SrV4O10" +mp-1217837,SrV4O10,-8.4113367387,-2.5785364156,0.022644859,0.0176847814,GGA+U,Cm,A10BC4_mC30_8_10a_a_4a:O-Sr-V,15.0,A10BC4_mC30_8_10a_a_4a:O-Sr-V +mp-675355,Sr2V3O9,-8.1850542711,-2.8171325912,0.0062250284,0.0062250284,GGA+U,P1,A9B2C3_aP28_1_18a_4a_6a:O-Sr-V,28.0,"Invalid WP multiplicities - A9B2C3_mC56_9_18a_3a_6a:O-Sr-V, expected SrV2O6 to be Sr2V3O9" +mp-530553,Sr2V3O9,-8.1812959846,-2.8133743048,0.0099833148,0.0099833148,GGA+U,P-1,A9B2C3_aP56_2_18i_4i_6i:O-Sr-V,56.0,"Invalid WP multiplicities - A9B2C3_mP56_14_35e_3e_7e:O-Sr-V, expected Sr3V7O35 to be Sr2V3O9" +mp-1218556,Sr2V3O9,-8.1854336429,-2.8175119630000003,0.0058456566,0.0058456566,GGA+U,Cc,A9B2C3_mC56_9_9a_2a_3a:O-Sr-V,28.0,"Invalid WP multiplicities - A9B2C3_mC56_9_13a_2a_3a:O-Sr-V, expected Sr2V3O13 to be Sr2V3O9" +mp-860962,Sr2V3O9,-8.1852565329,-2.817334853,0.0060227666,0.0060227666,GGA+U,P2_1/c,A9B2C3_mP56_14_9e_2e_3e:O-Sr-V,56.0,"Invalid WP multiplicities - A9B2C3_mP56_14_34e_6e_12e:O-Sr-V, expected Sr3V6O17 to be Sr2V3O9" +mp-757304,Sr16V12O39,-7.856141603,-2.9462964115,0.0,-0.0034560204,GGA+U,P1,A39B16C12_aP67_1_39a_16a_12a:O-Sr-V,67.0,A39B16C12_aP67_1_39a_16a_12a:O-Sr-V +mp-19038,SrV2O6,-8.1763153894,-2.6721556271,0.0007971051,0.0007971051,GGA+U,Pnma,A6BC2_oP36_62_6c_c_2c:O-Sr-V,36.0,"Invalid WP multiplicities - A6BC2_oP36_62_9c_c_2c:O-Sr-V, expected SrV2O9 to be SrV2O6" +mp-5206,SrV6O15,-8.4164255007,-2.4894591124,0.0126878561,0.0126878561,GGA+U,P2_1/c,A15BC6_mP88_14_15e_e_6e:O-Sr-V,88.0,"Invalid WP multiplicities - A15BC6_mP88_14_18e_e_6e:O-Sr-V, expected SrV6O18 to be SrV6O15" +mp-759591,Sr20V15O49,-7.8560448263,-2.9460899815,0.0021426595,0.0021426595,GGA+U,I4,A49B20C15_tI168_79_3a3b10c_4a4c_3a3c:O-Sr-V,84.0,"Invalid WP multiplicities - A49B20C15_tI168_79_3a5b36c_4a11c_3a9c:O-Sr-V, expected Sr48V39O157 to be Sr20V15O49" +mp-1216790,V2MoO8,-8.3775474364,-2.1423681691,0.0150517288,0.0150517288,GGA+U,Cm,AB8C2_mC22_8_a_8a_2a:Mo-O-V,11.0,AB8C2_mC22_8_a_8a_2a:Mo-O-V +mp-27877,V2MoO8,-8.3403808918,-2.1052016245,0.0522182733,0.0522182733,GGA+U,C2/m,AB8C2_mC22_12_a_bc3i_i:Mo-O-V,11.0,AB8C2_mC22_12_b_ac3i_i:Mo-O-V +mp-546989,V2MoO8,-8.3629775755,-2.1277983082,0.0296215897,0.0296215897,GGA+U,Cmm2,AB8C2_oC22_35_a_ab3d_d:Mo-O-V,11.0,"Invalid WP multiplicities - AB8C2_oC22_35_a_ab6d_d:Mo-O-V, expected V2MoO14 to be V2MoO8" +mp-19368,Sr2V2O7,-8.0233868198,-2.9166940902,0.0,-0.0394507373,GGA+U,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Sr-V,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_16i_4i_4i:O-Sr-V, expected SrVO4 to be Sr2V2O7" +mp-19660,Sr2V2O7,-8.023360081,-2.9166673514,2.67387e-05,-0.0394239985,GGA+U,P4_1,A7B2C2_tP88_76_14a_4a_4a:O-Sr-V,88.0,"Invalid WP multiplicities - A7B2C2_tP88_76_52a_13a_12a:O-Sr-V, expected Sr13V12O52 to be Sr2V2O7" +mp-1276140,Sr2VMoO6,-7.9838208145,-2.6849532791,0.0821283508,0.0821283508,GGA+U,P2/c,AB6C2D_mP20_13_a_2e2fg_g_c:Mo-O-Sr-V,20.0,AB6C2D_mP20_13_a_2e2fg_g_c:Mo-O-Sr-V +mp-1272748,Sr2VMoO6,-8.044245962,-2.7453784266,0.0217032033,0.0217032033,GGA+U,Amm2,AB6C2D_oC40_38_2a_4cde_de_2b:Mo-O-Sr-V,20.0,"Invalid WP multiplicities - AB6C2D_oC40_65_j_fg6n_eh_ab:Mo-O-Sr-V, expected Sr2VMoO14 to be Sr2VMoO6" +mp-1282190,Sr2VMoO6,-8.0553069515,-2.7564394161,0.0106422138,0.0106422138,GGA+U,Fmm2,AB6C2D_oF80_42_2a_4a2c2d_2b_2a:Mo-O-Sr-V,20.0,AB6C2D_oF80_42_2a_4a2c2d_2b_2a:Mo-O-Sr-V +mp-1287942,Sr2VMoO6,-8.0260758555,-2.7272083201,0.0398733098,0.0398733098,GGA+U,Pmmm,AB6C2D_oP20_47_af_cdghikmo_z_be:Mo-O-Sr-V,20.0,"Invalid WP multiplicities - AB6C2D_oP20_47_af_cdgh2i2k2m2o_z_be:Mo-O-Sr-V, expected Sr2VMoO10 to be Sr2VMoO6" +mp-1278734,Sr2VMoO6,-8.054346841,-2.7554793056,0.0116023243,0.0116023243,GGA+U,Pmna,AB6C2D_oP20_53_a_2gh_h_d:Mo-O-Sr-V,20.0,AB6C2D_oP20_53_a_2gh_h_d:Mo-O-Sr-V +mp-1294847,Sr2VMoO6,-7.9885376925,-2.6896701571,0.0774114728,0.0774114728,GGA+U,Cmmm,AB6C2D_oC20_65_a_cdgi_f_b:Mo-O-Sr-V,20.0,AB6C2D_oC20_65_a_cdgi_f_b:Mo-O-Sr-V +mp-1218388,Sr2VMoO6,-8.0391725575,-2.7403050221000003,0.0267766078,0.0267766078,GGA+U,P4/mmm,AB6C2D_tP20_123_ab_ghjk_i_cd:Mo-O-Sr-V,20.0,"Invalid WP multiplicities - AB6C2D_tP20_123_ab_gh4j4k_i_cd:Mo-O-Sr-V, expected Sr2VMoO18 to be Sr2VMoO6" +mp-1218447,Sr2VMoO6,-8.028822289,-2.7299547536,0.0371268763,0.0371268763,GGA+U,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Mo-O-Sr-V,10.0,"Invalid WP multiplicities - AB6C2D_tP10_123_a_2e2fg_h_b:Mo-O-Sr-V, expected Sr2VMoO10 to be Sr2VMoO6" +mp-1273175,Sr2VMoO6,-8.04521912,-2.7463515846,0.0207300453,0.0207300453,GGA+U,I4/mmm,AB6C2D_tI40_139_ab_deij_f_c:Mo-O-Sr-V,20.0,"Invalid WP multiplicities - AB6C2D_tI40_139_ab_de4i4j_f_c:Mo-O-Sr-V, expected Sr2VMoO18 to be Sr2VMoO6" +mp-1289694,Sr2VMoO6,-8.0452382495,-2.7463707141,0.0207109158,0.0207109158,GGA+U,I4/mmm,AB6C2D_tI40_139_ab_deij_f_c:Mo-O-Sr-V,20.0,"Invalid WP multiplicities - AB6C2D_tI40_139_ab_de4i4j_f_c:Mo-O-Sr-V, expected Sr2VMoO18 to be Sr2VMoO6" +mp-541507,Sr2VO4,-7.5579694738,-2.9508769278,0.0370258883,0.0370258883,GGA+U,Pna2_1,A4B2C_oP56_33_8a_4a_2a:O-Sr-V,56.0,A4B2C_oP56_33_8a_4a_2a:O-Sr-V +mp-555382,Sr2VO4,-7.4985306655,-2.8914381196,0.0964646965,0.0964646965,GGA+U,Pna2_1,A4B2C_oP56_33_8a_4a_2a:O-Sr-V,56.0,"Invalid WP multiplicities - A4B2C_oP56_33_30a_15a_4a:O-Sr-V, expected Sr15V4O30 to be Sr2VO4" +mp-1237534,Sr2VO4,-6.9313050732,-2.3242125273,0.6636902888,0.6636902888,GGA+U,Pna2_1,A4B2C_oP56_33_8a_4a_2a:O-Sr-V,56.0,A4B2C_oP56_33_8a_4a_2a:O-Sr-V +mp-18972,Sr2VO4,-7.56929297,-2.962200424,0.025702392,0.025702392,GGA+U,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Sr-V,7.0,A4B2C_tI14_139_ce_e_a:O-Sr-V +mp-767432,Sr16V8O31,-7.578150616,-2.9772325458,0.0,-0.0136546773,GGA+U,P-1,A31B16C8_aP55_2_acf14i_8i_4i:O-Sr-V,55.0,"Invalid WP multiplicities - A31B16C8_aP55_2_acf27i_14i_8i:O-Sr-V, expected Sr28V16O57 to be Sr16V8O31" +mp-18716,SrV4O9,-8.5423818639,-2.6462878543,0.017957764,0.017957764,GGA+U,P4/n,A9BC4_tP28_85_a2g_c_g:O-Sr-V,28.0,A9BC4_tP28_85_a2g_c_g:O-Sr-V +mp-19509,SrV10O15,-8.9257561485,-2.5131067322,0.0034344839,0.0034344839,GGA+U,Cmce,A15BC10_oC104_64_adef2g_b_f2g:O-Sr-V,52.0,"Invalid WP multiplicities - A15BC10_oC104_64_adef2g_b_f3g:O-Sr-V, expected SrV14O15 to be SrV10O15" +mp-1218652,Sr5V3O13,-7.7275173288,-2.9653202468,0.0,-0.0041589138,GGA+U,P6_3,A13B5C3_hP42_173_a4c_2bc_c:O-Sr-V,42.0,A13B5C3_hP42_173_a4c_2bc_c:O-Sr-V +mp-706632,H15RhBr3N5,-4.9834422429,-0.6252439863,0.0,-0.0225464404,GGA,Pnma,A3B15C5D_oP96_62_cd_3c6d_3cd_c:Br-H-N-Rh,96.0,A3B15C5D_oP96_62_cd_3c6d_3cd_c:Br-H-N-Rh +mp-1110948,K2TaAgI6,-3.472211959,-0.8970789963,0.2004846717,0.2004846717,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Ta +mp-605034,K2NiF6,-4.5540500833,-2.3907380412,0.0,-0.1834492533,GGA+U,Fm-3m,A6B2C_cF36_225_e_c_a:F-K-Ni,9.0,A6B2C_cF36_225_e_c_a:F-K-Ni +mp-560449,K3Ni2F7,-5.0574473417,-2.7014620939,0.0,-0.00090004,GGA+U,I4/mmm,A7B3C2_tI24_139_aeg_be_e:F-K-Ni,12.0,A7B3C2_tI24_139_aeg_be_e:F-K-Ni +mp-1111140,K3NiF6,-4.638500317,-2.5804795844,0.042441256,0.042441256,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Ni,10.0,A6B3C_cF40_225_e_ac_b:F-K-Ni +mp-556757,K2NaNiF6,-4.698522031,-2.6192886638,0.004150783,0.004150783,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ni,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ni +mp-560976,KNiF3,-5.166724966,-2.6417304601,0.0,-0.016690792,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-K-Ni,5.0,A3BC_cP5_221_c_a_b:F-K-Ni +mp-556546,K2NiF4,-4.97784897,-2.7425846209,0.0,-0.0076284657,GGA+U,I4/mmm,A4B2C_tI14_139_ce_e_a:F-K-Ni,7.0,A4B2C_tI14_139_ce_e_a:F-K-Ni +mp-1179388,Sr(IO)2,-3.9148858155,-1.0089651003,0.720780186,0.720780186,GGA,P1,A2B2C_aP20_1_8a_8a_4a:I-O-Sr,20.0,A2B2C_aP20_1_8a_8a_4a:I-O-Sr +mp-1179408,Sr(IO)2,-4.0200138285,-1.1140931133,0.6156521730000001,0.6156521730000001,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:I-O-Sr,20.0,A2B2C_mP20_14_2e_2e_e:I-O-Sr +mp-1189257,Sr(IO)2,-4.240725354,-1.3348046388,0.3949406475,0.3949406475,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:I-O-Sr,20.0,A2B2C_oP20_62_2c_2c_c:I-O-Sr +mp-551203,Sr2I2O,-4.72037155,-2.4658898864,0.0,-0.0214595207,GGA,Ibam,A2BC2_oI20_72_j_a_j:I-O-Sr,10.0,A2BC2_oI20_72_j_a_j:I-O-Sr +mp-29910,Sr4I6O,-4.0818552855,-2.2141406832,0.0,-0.0045869186,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:I-O-Sr,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_3c_b_2b2c:I-O-Sr, expected Sr8I9O to be Sr4I6O" +mp-754869,Sr(IO3)2,-5.3393777422,-1.5264490288,0.0258328953,-0.0995786587,GGA,P2_1,A2B6C_mP18_4_2a_6a_a:I-O-Sr,18.0,"Invalid WP multiplicities - A2B6C_mP18_4_3a_11a_a:I-O-Sr, expected SrI3O11 to be Sr(IO3)2" +mp-771750,Sr(IO3)2,-5.3652106375,-1.5522819241,0.0,-0.1254115539,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:I-O-Sr,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_3e_21e_e:I-O-Sr, expected Sr(IO7)3 to be Sr(IO3)2" +mp-754521,Sr(IO3)2,-5.3606981978,-1.5477694844,0.0045124397,-0.1208991142,GGA,C2/c,A2B6C_mC36_15_f_3f_e:I-O-Sr,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_9f_e:I-O-Sr, expected Sr(IO9)2 to be Sr(IO3)2" +mp-1197017,Ba2Ge(Sb2S5)2,-4.9460004344,-1.0435603542,0.0018492984,0.0018492984,GGA,P4_2/mbc,A2BC10D4_tP68_135_g_b_h2i_2h:Ba-Ge-S-Sb,68.0,A2BC10D4_tP68_135_g_b_h2i_2h:Ba-Ge-S-Sb +mp-556357,Ni18Bi3AsS16,-5.4714463387,-0.5660188675,0.0111412538,0.0111412538,GGA,I4/mmm,AB3C18D16_tI76_139_a_bd_c2m_ln:As-Bi-Ni-S,38.0,"Invalid WP multiplicities - AB3C18D16_tI76_139_a_bd_2c10m_3l4n:As-Bi-Ni-S, expected Ni84Bi3AsS56 to be Ni18Bi3AsS16" +mp-1046140,Ta2Zn2NiO8,-8.0422219065,-2.5353996873,0.0190107973,0.0190107973,GGA+U,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Ni-O-Ta-Zn,52.0,AB8C2D2_mC52_15_e_4f_f_f:Ni-O-Ta-Zn +mp-1097078,TaZnNi2,-3.4709777275,2.6984709225,2.9801647547,2.9801647547,GGA,Immm,A2BC_oI8_71_e_a_b:Ni-Ta-Zn,4.0,A2BC_oI8_71_e_a_b:Ni-Ta-Zn +mp-1372315,TaZn2NiO6,-6.9873643175,-2.0036109377,0.1409120518,0.1409120518,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Ni-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Ni-O-Ta-Zn, expected TaZn3NiO18 to be TaZn2NiO6" +mp-1028134,CaMg14Cd,-1.5973373412,-0.014061695,0.0532230768,0.0532230768,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Cd-Mg, expected CaMg18Cd to be CaMg14Cd" +mp-1028122,CaMg14Cd,-1.5906275819,-0.0073519356,0.0599328362,0.0599328362,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Cd-Mg, expected CaMg26Cd to be CaMg14Cd" +mp-755287,Ca3CdO4,-6.1773140087,-2.8365084781,0.0,-0.0060636075,GGA,Cmmm,A3BC4_oC16_65_af_b_gj:Ca-Cd-O,8.0,"Invalid WP multiplicities - A3BC4_oC16_65_af_b_2gj:Ca-Cd-O, expected Ca3CdO6 to be Ca3CdO4" +mp-1227631,Ca3CdO4,-6.174523455,-2.8337179244,0.0027905537,-0.0032730537,GGA,P4/mmm,A3BC4_tP8_123_ah_b_cdg:Ca-Cd-O,8.0,"Invalid WP multiplicities - A3BC4_tP8_123_a2h_b_cd2g:Ca-Cd-O, expected Ca5CdO6 to be Ca3CdO4" +mp-760403,CaCd3O4,-4.9336731375,-1.8635451369,0.0,-0.0037541812,GGA,Cmmm,AB3C4_oC16_65_a_bf_gj:Ca-Cd-O,8.0,"Invalid WP multiplicities - AB3C4_oC16_65_a_bf_2gj:Ca-Cd-O, expected CaCd3O6 to be CaCd3O4" +mp-1227236,CaCd3O4,-4.9307402125,-1.8606122119,0.002932925,-0.0008212562,GGA,P4/mmm,AB3C4_tP8_123_a_bh_cdg:Ca-Cd-O,8.0,"Invalid WP multiplicities - AB3C4_tP8_123_a_b2h_cd2g:Ca-Cd-O, expected CaCd5O6 to be CaCd3O4" +mp-1093823,CaMgCd2,-0.3151340825,1.04778078,1.307955135,1.3025156022,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Cd-Mg,4.0,AB2C_oI8_71_a_e_b:Ca-Cd-Mg +mp-1183548,CaMgCd2,-1.6230892175,-0.260174355,0.0,-0.0054395328,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Mg,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Mg +mp-1023143,CaMg6Cd,-1.5983686288,-0.0320973863,0.076161236,0.076161236,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Cd-Mg, expected CaMg12Cd to be CaMg6Cd" +mp-1023154,CaMg6Cd,-1.5978566644,-0.0315854219,0.0766732004,0.0766732004,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Cd-Mg, expected CaMg12Cd to be CaMg6Cd" +mp-1037951,CaMg30CdO32,-6.2480941783,-2.9788608986,0.0314415197,0.0314415197,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Cd-Mg-O, expected CaMg90CdO80 to be CaMg30CdO32" +mp-1037934,CaMg30CdO32,-6.2513730027,-2.982139723,0.0281626953,0.0281626953,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Cd-Mg-O, expected CaMg110CdO72 to be CaMg30CdO32" +mp-1036221,CaMg14CdO16,-6.16298499,-2.8980028112,0.0685617259,0.0685617259,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Cd-Mg-O, expected CaMg18CdO20 to be CaMg14CdO16" +mp-1036216,CaMg14CdO16,-6.1712184491,-2.9062362703,0.0603282669,0.0603282669,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Cd-Mg-O, expected CaMg30CdO32 to be CaMg14CdO16" +mp-1093855,Ca2MgCd,-0.3557481275,1.277844265,1.4978574209,1.4978574209,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Cd-Mg,4.0,A2BC_oI8_71_e_a_b:Ca-Cd-Mg +mp-1183457,Ca2MgCd,-1.84022382,-0.2066314275,0.0133817284,0.0133817284,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Cd-Mg,4.0,A2BC_cF16_225_c_a_b:Ca-Cd-Mg +mp-753287,CaCdO2,-5.5597009675,-2.3542342019,0.0,-0.0042073944,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Cd-O,4.0,ABC2_tP4_123_a_d_bc:Ca-Cd-O +mp-1227127,CaMgCd,-1.7486009692,-0.2390110725,0.0058270513,0.0058270513,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Ca-Cd-Mg,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Ca-Cd-Mg, expected Ca3(MgCd)2 to be CaMgCd" +mp-1031707,CaMg6CdO8,-6.0355007769,-2.7790208,0.100067975,0.100067975,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Cd-Mg-O, expected CaMg6CdO12 to be CaMg6CdO8" +mp-1031705,CaMg6CdO8,-5.9996437269000005,-2.74316375,0.135925025,0.135925025,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Cd-Mg-O, expected CaMg6CdO12 to be CaMg6CdO8" +mp-22354,Mn2Tl2O7,-6.7387221318,-1.4954368722,0.0,-0.0078250382,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Tl,22.0,A2B7C2_cF88_227_d_af_c:Mn-O-Tl +mp-1211724,Mn2Tl2(MoO4)3,-7.9703728886,-1.9205554284,0.0,-0.0022509062,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Mn-Mo-O-Tl,76.0,A2B3C12D2_cP76_198_2a_b_4b_2a:Mn-Mo-O-Tl +mp-1311921,MnTlO3,-6.7686012805,-1.495656366,0.0640513797,0.0640513797,GGA+U,P-1,AB3C_aP20_2_abeh_6i_2i:Mn-O-Tl,20.0,"Invalid WP multiplicities - AB3C_aP20_2_abeh_9i_3i:Mn-O-Tl, expected Mn2Tl3O9 to be MnTlO3" +mp-753819,MnTlO3,-6.7706991720000005,-1.4977542575,0.0619534882,0.0619534882,GGA+U,P2_1/c,AB3C_mP20_14_ab_3e_e:Mn-O-Tl,20.0,"Invalid WP multiplicities - AB3C_mP20_14_2a2b_9e_e:Mn-O-Tl, expected Mn2TlO9 to be MnTlO3" +mp-770870,MnTlO3,-6.7789154620000005,-1.5059705475,0.0537371982,0.0537371982,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Mn-O-Tl, expected MnTlO7 to be MnTlO3" +mp-768432,MnTlO3,-6.710766313,-1.4378213985,0.1218863472,0.1218863472,GGA+U,R-3,AB3C_hR30_148_c_f_c:Mn-O-Tl,10.0,AB3C_hR30_148_c_f_c:Mn-O-Tl +mp-768374,MnTlO3,-6.801877482,-1.5289325675,0.0307751782,0.0307751782,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mn-O-Tl,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b10c_a2b:Mn-O-Tl, expected Mn3Tl5O37 to be MnTlO3" +mp-1207410,Zr3Tl2(CuS4)2,-6.1447491327,-1.3675224354,0.0,-0.006583148,GGA,C2/m,A2B8C2D3_mC30_12_i_4i_i_ai:Cu-S-Tl-Zr,15.0,A2B8C2D3_mC30_12_i_4i_i_ai:Cu-S-Tl-Zr +mp-7049,ZrTlCuS3,-5.8087556383,-1.2389389638,0.0,-0.0285738827,GGA,Cmcm,AB3CD_oC24_63_c_cf_c_a:Cu-S-Tl-Zr,12.0,"Invalid WP multiplicities - AB3CD_oC24_63_c_c2f_c_a:Cu-S-Tl-Zr, expected ZrTlCuS5 to be ZrTlCuS3" +mp-18093,Al2Mo3C,-8.3844360083,-0.1749747613,0.0524441209,0.0524441209,GGA,P4_132,A2BC3_cP24_213_c_a_d:Al-C-Mo,24.0,A2BC3_cP24_213_c_a_d:Al-C-Mo +mp-2646988,Sc2Al3Mo4C3,-8.325906766,-0.4117182146,0.0,-0.0817372636,GGA,Cmcm,A3B3C4D2_oC48_63_cg_ae_h_f:Al-C-Mo-Sc,48.0,A3B3C4D2_oC48_63_cg_ae_h_f:Al-C-Mo-Sc +mp-13070,Sc2AlC,-6.8488784925,-0.4390836094,0.100866713,0.100866713,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Sc,8.0,ABC2_hP8_194_c_a_f:Al-C-Sc +mp-4079,Sc3AlC,-6.988557656,-0.5942279285000001,0.0,-0.161915036,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Sc,5.0,ABC3_cP5_221_a_b_c:Al-C-Sc +mp-568400,Sc(AlC)3,-6.81072147,-0.3456938882,0.0004078407,-0.0857332246,GGA,P6_3mc,A3B3C_hP14_186_3b_3b_a:Al-C-Sc,14.0,"Invalid WP multiplicities - A3B3C_hP14_186_6b_3b_a:Al-C-Sc, expected Sc(Al2C)3 to be Sc(AlC)3" +mp-4798,Sc(AlC)3,-6.8111293107,-0.3461017289,0.0,-0.0861410654,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Sc,14.0,"Invalid WP multiplicities - A3B3C_hP14_194_2c2f_d2f_a:Al-C-Sc, expected ScAl6C5 to be Sc(AlC)3" +mp-1025357,Lu2Fe2Si2C,-7.2593970386,-0.6792191796,0.0,-0.0840600507,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Lu-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Lu-Si +mp-1106069,Lu5Si3C,-5.9660608267,-0.6205750286,0.0216201706,0.0216201706,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:C-Lu-Si,18.0,AB5C3_hP18_193_b_dg_g:C-Lu-Si +mp-1104515,Lu2FeC4,-8.0970936814,-0.3218673643,0.0,-0.030907534,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Lu,14.0,A4BC2_oI28_72_2j_a_j:C-Fe-Lu +mp-567900,Lu2Fe14C,-8.1393868441,-0.0893360516,0.0,-0.0093426672,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Lu,68.0,"Invalid WP multiplicities - AB14C2_tP68_136_f_4c4e16j24k_2f2g:C-Fe-Lu, expected Lu4Fe136C to be Lu2Fe14C" +mp-1207076,LuFe2SiC,-7.750559797,-0.5275645045,0.0,-0.0521110788,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Lu-Si,,AB2CD_oC20_63_a_f_c_c:C-Fe-Lu-Si +mp-976603,Lu2Fe17C3,-4.5746546273,3.6398116494,3.7321741279,3.7321741279,GGA,C2/m,A3B17C2_mC44_12_af_deg2i2j_i:C-Fe-Lu,22.0,"Invalid WP multiplicities - A3B17C2_mC44_12_ae_df2g3i3j_i:C-Fe-Lu, expected Lu2Fe25C3 to be Lu2Fe17C3" +mp-974000,Lu2Fe17C3,-8.3032694991,-0.0888032224,0.0035592561,0.0035592561,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Lu,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Lu +mp-1001606,LuFeC2,-8.1481513475,-0.2860756688,0.0,-0.004441725,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Fe-Lu,4.0,A2BC_oC8_38_d_a_b:C-Fe-Lu +mp-37091,Sr(AlTe2)2,-4.1834321271,-1.0757366005,0.0,-0.0142102834,GGA,I422,A2BC4_tI14_97_c_a_j:Al-Sr-Te,7.0,A2BC4_tI14_97_c_a_j:Al-Sr-Te +mp-9392,Sr4Al6TeO12,-7.3411502374,-3.3526720104,0.0,-0.0236371479,GGA,I-43m,A6B12C4D_cI46_217_d_g_c_a:Al-O-Sr-Te,23.0,A6B12C4D_cI46_217_d_g_c_a:Al-O-Sr-Te +mp-1110630,Rb2LiNbF6,-5.568334042,-3.0243170563,0.0812974018,0.0812974018,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Nb-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Nb-Rb +mp-1213938,CdCoF5,-4.6535665786,-2.1409090939,0.1559592625,0.1559592625,GGA+U,C2/c,ABC5_mC28_15_a_e_e2f:Cd-Co-F,14.0,ABC5_mC28_15_c_e_e2f:Cd-Co-F +mp-558057,LiCdCoF6,-4.8679469372,-2.4891686898,0.0257140411,0.0257140411,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cd-Co-F-Li,18.0,ABC6D_hP18_163_b_c_i_d:Cd-Co-F-Li +mp-1101990,SrGd2Sc2O7,-10.1324422817,-3.7046508548,0.0998135323,0.0998135323,GGA,I4/mmm,A2B7C2D_tI24_139_e_aeg_e_b:Gd-O-Sc-Sr,12.0,A2B7C2D_tI24_139_e_aeg_e_b:Gd-O-Sc-Sr +mp-20219,CsUCuTe3,-5.2292766342,-0.9432871788,0.0,-0.1109518879,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Cu-Te-U,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Cu-Te-U +mp-1216980,U4CuTe12,-5.92295008,-0.8062137606,0.0,-0.0073357268,GGA,Cm,AB12C4_mC34_8_a_6a3b_2ab:Cu-Te-U,17.0,AB12C4_mC34_8_a_6a3b_2ab:Cu-Te-U +mp-1235391,LiSm4Tm4O12,-8.3040425614,-3.6351438169,0.1535316812,0.1535316812,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-Tm +mp-1235897,LiSm4Tm4O12,-8.3054494662,-3.6365507217,0.1521247764,0.1521247764,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-Tm +mp-1235085,LiSm4Tm4O12,-8.3079662771,-3.6390675326,0.1496079654,0.1496079654,GGA,Pm,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Li-O-Sm-Tm,21.0,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Li-O-Sm-Tm +mp-554686,MgAs2(XeF9)2,-4.040458979,-2.0666552132,0.0,-0.0079402972,GGA,P2_1/c,A2B18CD2_mP92_14_2e_18e_e_2e:As-F-Mg-Xe,92.0,"Invalid WP multiplicities - A2B18CD2_mP92_14_6e_68e_e_5e:As-F-Mg-Xe, expected MgAs6Xe5F68 to be MgAs2(XeF9)2" +mp-555546,MgAs2(XeF5)4,-3.7017769019,-1.8761179059,0.0,-0.0019675776,GGA,P2_12_12_1,A2B20CD4_oP108_19_2a_20a_a_4a:As-F-Mg-Xe,108.0,"Invalid WP multiplicities - A2B20CD4_oP108_19_6a_78a_a_9a:As-F-Mg-Xe, expected MgAs6(Xe3F26)3 to be MgAs2(XeF5)4" +mp-556078,MgAs2(XeF8)2,-4.1655347321,-2.1857952712,0.0,-0.0120958174,GGA,Pbam,A2B16CD2_oP42_55_h_2g2h2i_a_g:As-F-Mg-Xe,42.0,"Invalid WP multiplicities - A2B16CD2_oP42_55_h_7g8h13i_a_g:As-F-Mg-Xe, expected MgAs2(XeF41)2 to be MgAs2(XeF8)2" +mp-560936,Rb2NaCrF6,-5.560269419,-3.1197179477,0.0,-0.0467205208,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-Na-Rb +mp-1110625,RbNa2CrF6,-5.330825506,-2.8560749126,0.2384106577,0.2384106577,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-Na-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-Na-Rb +mp-8290,BaSnF6,-5.5732074350000005,-3.39852986,0.0,-0.1435892263,GGA,R-3,AB6C_hR24_148_a_f_b:Ba-F-Sn,8.0,AB6C_hR24_148_a_f_b:Ba-F-Sn +mp-17805,Ba2SnSe3F2,-5.1965910978,-2.4268143349,0.0,-0.0258518841,GGA,Pnma,A2B2C3D_oP32_62_d_d_cd_c:Ba-F-Se-Sn,32.0,"Invalid WP multiplicities - A2B2C3D_oP32_62_d_d_2c3d_c:Ba-F-Se-Sn, expected Ba2Sn(Se4F)2 to be Ba2SnSe3F2" +mp-1103397,BaSnF4,-5.6420734275,-3.3796629833000003,0.0,-0.0128416679,GGA,P4/nmm,AB4C_tP12_129_c_acf_c:Ba-F-Sn,12.0,AB4C_tP12_129_c_acf_c:Ba-F-Sn +mp-1227733,BaSnF4,-5.5839789467,-3.3215685025,0.0580944808,0.0452528129,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ba-F-Sn,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ba-F-Sn, expected BaSnF6 to be BaSnF4" +mp-1044595,Ba2Sn2F11,-5.4423368811,-3.2501127323,0.1446437524,0.1446437524,GGA,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Sn,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Sn, expected Ba5Sn5F31 to be Ba2Sn2F11" +mp-1206078,Ba3SnF6,-5.458739432,-3.335202384,0.4123833195,0.4123833195,GGA,P-1,A3B6C_aP10_2_bch_3i_a:Ba-F-Sn,10.0,A3B6C_aP10_2_bch_3i_a:Ba-F-Sn +mp-551702,Ba2CdReO6,-7.155683863,-2.4671339538,0.0,-0.000177687,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-Re +mp-16783,Cd2Re2O7,-7.3360620082,-1.7577297474,0.0442170945,0.0442170945,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Cd-O-Re,22.0,A2B7C2_cF88_227_c_af_d:Cd-O-Re +mp-1213022,ErRhO3,-7.951800669,-2.5973821062,0.0,-0.0195420538,GGA,Pnma,AB3C_oP20_62_c_cd_a:Er-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Er-O-Rh +mp-17149,Sr3ErRhO6,-7.1887334418,-2.9450389593,0.0,-0.0402562057,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Er-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Er-O-Rh-Sr +mp-1235763,Rb2Li(TcO4)2,-7.0277853077,-2.0920331083,0.0161915718,0.0161915718,GGA,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Li-O-Rb-Tc,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Li-O-Rb-Tc +mp-1235807,Rb2Li(TcO4)2,-7.0187840762,-2.0830318768,0.0251928034,0.0251928034,GGA,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Li-O-Rb-Tc,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Li-O-Rb-Tc, expected Rb2Li(TcO8)2 to be Rb2Li(TcO4)2" +mp-975115,RbTcO4,-7.3482036958,-2.1602157187,0.0,-0.5266165085,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-Rb-Tc,12.0,A4BC_tI24_88_f_a_b:O-Rb-Tc +mp-1205553,Sr2LuTaO6,-8.548943347,-3.6051586146,0.0,-0.0031327374,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Lu-O-Sr-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Lu-O-Sr-Ta +mp-1208820,Sr2LuTaO6,-8.545655828,-3.6018710956,0.003287519,0.0001547816,GGA,Pnn2,AB6C2D_oP20_34_a_3c_c_b:Lu-O-Sr-Ta,20.0,AB6C2D_oP20_34_a_3c_c_b:Lu-O-Sr-Ta +mp-1211646,Li3Lu3(TeO6)2,-7.0267637136,-2.7799388895,0.0,-0.0060239424,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Li-Lu-O-Te,80.0,A3B3C12D2_cI160_230_d_c_h_a:Li-Lu-O-Te +mp-1112184,K2InGaBr6,-3.232221249,-1.5003464864,0.087525279,0.087525279,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-In-K +mp-1211922,K(InGa)2,-2.669850592,-0.1358589016,0.0031375497,0.0031375497,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ga-In-K,5.0,A2B2C_tI10_139_e_d_a:Ga-In-K +mp-1209335,RbAlAgF6,-5.0132048631,-2.8990337841,0.0068838432,0.0068838432,GGA,Pnma,ABC6D_oP36_62_c_a_2c2d_c:Ag-Al-F-Rb,36.0,ABC6D_oP36_62_c_a_2c2d_c:Ag-Al-F-Rb +mp-1110614,Rb2AlAgF6,-5.055440099,-3.0546327207,0.0,-0.0176472864,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-Rb +mp-1361234,CaAgAsO5,-6.0456610888,-1.7668213582,0.0791313619,0.0791313619,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:Ag-As-Ca-O,32.0,ABCD5_oP32_19_a_a_a_5a:Ag-As-Ca-O +mp-5615,CaAgAs,-3.9548584144,-0.7891003183,0.0,-0.06298008,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-As-Ca,9.0,ABC_hP9_189_f_bc_g:Ag-As-Ca +mp-1213950,CaAgAsO4,-6.2337553971,-2.0503226638,0.0,-0.0068006089,GGA,Cmcm,ABCD4_oC28_63_c_c_a_fg:Ag-As-Ca-O,14.0,ABCD4_oC28_63_c_c_a_fg:Ag-As-Ca-O +mp-19011,Ba2NiTeO6,-6.522100524,-2.2779480519,0.0,-0.079486312,GGA+U,R-3m,A2BC6D_hR60_166_2c_c_2h_ab:Ba-Ni-O-Te,20.0,A2BC6D_hR60_166_2c_c_2h_ab:Ba-Ni-O-Te +mp-1110599,Rb2TiAgF6,-5.347527846,-2.931728849,0.190504641,0.190504641,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Ti +mp-1205702,CoRe(PbO3)2,-7.265377088,-1.5995499493,0.1298244045,0.1298244045,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Pb-Re,10.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Pb-Re +mp-7913,BeSiN2,-7.8607373769,-1.4013071906,0.0,-0.135683915,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Be-N-Si,16.0,"Invalid WP multiplicities - AB2C_oP16_33_a_5a_a:Be-N-Si, expected BeSiN5 to be BeSiN2" +mp-15704,BeSiN2,-7.859573155,-1.4001429688,0.0011642219,-0.1345196931,GGA,I-42d,AB2C_tI16_122_a_d_b:Be-N-Si,8.0,AB2C_tI16_122_a_d_b:Be-N-Si +mp-1227309,BeSiN2,-7.694544955,-1.2351147688,0.1661924219,0.0305085069,GGA,P3m1,AB2C_hP4_156_a_ab_b:Be-N-Si,4.0,AB2C_hP4_156_a_ab_b:Be-N-Si +mp-1227412,BeAlSiN3,-7.7471902342,-1.4272249842,0.0351121446,0.0351121446,GGA,Cc,ABC3D_mC24_9_a_a_3a_a:Al-Be-N-Si,12.0,"Invalid WP multiplicities - ABC3D_mC24_9_a_a_6a_a:Al-Be-N-Si, expected BeAlSiN6 to be BeAlSiN3" +mp-555559,Sm3NbSe3O4,-7.8794884159,-2.922074532,0.0238137511,0.0238137511,GGA,Pnma,AB4C3D3_oP44_62_c_2cd_a2c_cd:Nb-O-Se-Sm,44.0,"Invalid WP multiplicities - AB4C3D3_oP44_62_c_6c6d_2a8c_2c2d:Nb-O-Se-Sm, expected Sm6Nb(Se5O9)2 to be Sm3NbSe3O4" +mp-29193,Nb2Se4O13,-7.0505562947,-1.866703177,0.0,-0.0190347754,GGA,Pc,A2B13C4_mP38_7_2a_13a_4a:Nb-O-Se,38.0,A2B13C4_mP38_7_2a_13a_4a:Nb-O-Se +mp-1247147,MgCrMoS4,-6.5474853479,-1.0268029054,0.2095082719,0.2095082719,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Cr-Mg-Mo-S, expected MgCrMoS12 to be MgCrMoS4" +mp-1016617,Mg6CrMo,-3.4379730731,0.3245741619,0.3391714938,0.3391714938,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Mo, expected Mg12CrMo to be Mg6CrMo" +mp-1016651,Mg6CrMo,-3.4826478675,0.2798993675,0.2944966994,0.2944966994,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Mo, expected Mg12CrMo to be Mg6CrMo" +mp-542188,Cr(MoS2)2,-7.8015722264,-0.9601226325,0.0697820807,0.0697820807,GGA,C2/c,AB2C4_mC56_15_f_2f_4f:Cr-Mo-S,28.0,AB2C4_mC56_15_f_2f_4f:Cr-Mo-S +mp-1026507,Mg14CrMo,-2.5178784313,0.1635352113,0.1805654319,0.1805654319,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Mo, expected Mg18CrMo to be Mg14CrMo" +mp-1026498,Mg14CrMo,-2.5033483675,0.178065275,0.1950954956,0.1950954956,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Mo, expected Mg26CrMo to be Mg14CrMo" +mp-1247146,Mg2CrMo3S8,-6.5546492457,-0.9487809004,0.3029485721,0.3029485721,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Cr-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c3h:Cr-Mg-Mo-S, expected Mg2CrMo3S22 to be Mg2CrMo3S8" +mp-1247114,Mg2Cr3MoS8,-6.5439949614,-1.1084984218,0.1123944602,0.1123944602,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c2h:Cr-Mg-Mo-S, expected Mg2Cr3MoS16 to be Mg2Cr3MoS8" +mp-2217294,MgMo2(BrO)4,-6.0842947636,-1.6033449059,0.1424045545,0.1424045545,GGA+U,P1,A4BC2D4_aP11_1_4a_a_2a_4a:Br-Mg-Mo-O,11.0,A4BC2D4_aP11_1_4a_a_2a_4a:Br-Mg-Mo-O +mp-2217595,MgMo2(BrO)4,-6.1181897645,-1.6372399068,0.1085095536,0.1085095536,GGA+U,Cm,A4BC2D4_mC22_8_4a_a_2a_4a:Br-Mg-Mo-O,11.0,A4BC2D4_mC22_8_4a_a_2a_4a:Br-Mg-Mo-O +mp-1232160,TbMgS3,-5.283688209,-1.5548890589000002,0.3537152345,0.3537152345,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Tb,10.0,AB3C_mC20_12_g_ij_i:Mg-S-Tb +mp-1232232,TbMgS3,-5.360508802,-1.6317096519,0.2768946415,0.2768946415,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-S-Tb,30.0,AB3C_hR30_148_c_f_c:Mg-S-Tb +mp-867301,Tb2MgGe2,-4.802725253,-0.779711661,0.0,-0.0436381052,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Tb,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Tb +mp-1232103,Tb2MgS4,-5.8896861650000005,-1.9732844911,0.2030983211,0.2030983211,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Tb,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-S-Tb +mp-1232102,Tb2MgS4,-6.0751822389,-2.158780565,0.0176022471,0.0176022471,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Tb,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-S-Tb +mp-1217702,Tb2MgS4,-6.0732281907,-2.1568265168,0.0195562954,0.0195562954,GGA,Cmc2_1,AB4C2_oC28_36_a_4a_2a:Mg-S-Tb,14.0,AB4C2_oC28_36_a_4a_2a:Mg-S-Tb +mp-1232097,Tb2MgS4,-6.0700229454,-2.1536212714,0.0227615407,0.0227615407,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Tb,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-S-Tb +mp-1232098,Tb2MgS4,-6.0228525814,-2.1064509075,0.0699319046,0.0699319046,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Tb,28.0,AB4C2_oP28_62_c_4c_2c:Mg-S-Tb +mp-1232141,Tb2MgS4,-5.8650933211,-1.9486916471,0.227691165,0.227691165,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Tb,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-S-Tb +mp-1232385,Tb2MgS4,-6.0182194229,-2.1018177489,0.0745650632,0.0745650632,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Tb,14.0,AB4C2_tI28_122_a_e_d:Mg-S-Tb +mp-1232112,Tb2MgS4,-6.078671775,-2.1622701011,0.0141127111,0.0141127111,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Tb,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Tb +mp-1217658,Tb7Mg3Ge8,-4.8654175236,-0.7417716519,0.018921684,0.018921684,GGA,P2_1,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Tb,36.0,A8B3C7_mP36_4_8a_3a_7a:Ge-Mg-Tb +mp-1208485,Tb4MgGe4,-5.1080022522,-0.8157960444,0.0063102517,0.0063102517,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Mg-Tb,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Mg-Tb +mp-1217642,Tb6Mg(GeS7)2,-6.0748504143,-1.8764664797,0.0,-0.0037702055,GGA,P3,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Tb,23.0,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Tb +mp-1212485,Hf6CCl14,-6.6673675574,-2.1506383711,0.0,-0.1244722656,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:C-Cl-Hf,42.0,AB14C6_oC84_64_a_def2g_fg:C-Cl-Hf +mp-1120741,Cs2HfCl6,-4.9716157111,-2.4339252962,0.0,-0.1405589583,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Hf,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Hf +mp-1213477,CsHf6CCl15,-6.4316392372,-2.1883674135,0.0,-0.0173933024,GGA,Pmma,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-Cs-Hf,92.0,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-Cs-Hf +mp-983578,CsBiO3,-5.290564856,-1.3753733288,0.0395539524,0.0395539524,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-Cs-O,5.0,ABC3_cP5_221_b_a_c:Bi-Cs-O +mp-635020,Cs6Bi4O9,-5.0863631447,-1.6519121366,0.0130201822,0.0130201822,GGA,P-1,A4B6C9_aP38_2_4i_6i_9i:Bi-Cs-O,38.0,"Invalid WP multiplicities - A4B6C9_aP38_2_8i_11i_16i:Bi-Cs-O, expected Cs11(BiO2)8 to be Cs6Bi4O9" +mp-1213697,CsBi(MoO4)2,-7.5300358588,-2.0299774077,0.0,-0.0038021032,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Bi-Cs-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Bi-Cs-Mo-O +mp-29506,CsBiO2,-5.347800615,-1.6904833839000002,0.0,-0.0208712308,GGA,C2/c,ABC2_mC16_15_e_e_f:Bi-Cs-O,8.0,ABC2_mC16_15_e_e_f:Bi-Cs-O +mp-1364847,Cs5Bi(MoO4)4,-7.1594809825,-2.1268994129,0.0089311704,-0.0009344148,GGA+U,P1,AB5C4D16_aP52_1_2a_10a_8a_32a:Bi-Cs-Mo-O,52.0,AB5C4D16_aP52_1_2a_10a_8a_32a:Bi-Cs-Mo-O +mp-644925,Cs5Bi(MoO4)4,-7.1684121529,-2.1358305833,0.0,-0.0098655852,GGA+U,Cc,AB5C4D16_mC104_9_a_5a_4a_16a:Bi-Cs-Mo-O,52.0,"Invalid WP multiplicities - AB5C4D16_mC104_15_e_2e7f_5f_29f:Bi-Cs-Mo-O, expected Cs16Bi(Mo5O29)2 to be Cs5Bi(MoO4)4" +mp-555117,Cs2Bi4O7,-5.6785261958,-1.6954814079,0.0,-0.015834455,GGA,C2/c,A4B2C7_mC208_15_8f_4f_2e13f:Bi-Cs-O,104.0,"Invalid WP multiplicities - A4B2C7_mC208_15_31f_15f_4e49f:Bi-Cs-O, expected Cs15Bi31O51 to be Cs2Bi4O7" +mp-29505,Cs3BiO3,-4.6735251189,-1.6211304932,0.0,-0.1179941514,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-Cs-O,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_4a_b:Bi-Cs-O, expected Cs4BiO3 to be Cs3BiO3" +mp-9085,CsTbS2,-5.5205066925,-2.069839641,0.0013023588,-0.1623789509,GGA,R-3m,AB2C_hR12_166_a_c_b:Cs-S-Tb,4.0,AB2C_hR12_166_a_c_b:Cs-S-Tb +mp-972199,CsTbS2,-5.5218090512,-2.0711419998,0.0,-0.1636813097,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-S-Tb,8.0,AB2C_hP8_194_c_f_a:Cs-S-Tb +mp-1194142,CsTbSiS4,-5.6567636639,-1.7280656683000002,0.0,-0.0649210165,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Cs-S-Si-Tb,28.0,AB4CD_oP28_19_a_4a_a_a:Cs-S-Si-Tb +mp-1112942,Cs2PrAgI6,-3.321664748,-1.4972182878,0.0066154518,0.0066154518,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Pr,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Pr +mp-1080748,Sn(NCl3)2,-3.0758609222,0.4545592628,1.2474474244,1.2474474244,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Sn,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Sn +mp-1205069,CoSnN6Cl5,-5.2414790833,0.1723318783,0.8402220512,0.8402220512,GGA,P2_1/c,A5BC6D_mP52_14_5e_e_6e_e:Cl-Co-N-Sn,52.0,A5BC6D_mP52_14_5e_e_6e_e:Cl-Co-N-Sn +mp-1247093,CoSnN2,-6.6859602394,0.2617596356,0.3159742048,0.3159742048,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Co-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Co-N-Sn +mp-1245825,CoSnN,-6.2997176133,0.185077245,0.2573633372,0.2573633372,GGA,P6_3mc,ABC_hP6_186_b_b_a:Co-N-Sn,6.0,ABC_hP6_186_b_b_a:Co-N-Sn +mp-1245341,Co7SnN6,-7.26019547,0.1531449564,0.2319628962,0.2319628962,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Co-N-Sn,56.0,A7B6C_oP56_60_c3d_3d_c:Co-N-Sn +mp-1245654,Co4SnN4,-7.1725626306,0.1373065622,0.2106570863,0.2106570863,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Co-N-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Co-N-Sn +mp-1206399,Rb2LiVCl6,-4.447946727,-2.0434350228,0.0,-0.0384719425,GGA,P-3m1,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-V,10.0,A6BC2D_hP10_164_i_a_d_b:Cl-Li-Rb-V +mp-1206403,Rb2LiVCl6,-4.426479828,-2.0219681238,0.021466899,-0.0170050435,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Li-Rb-V +mp-36330,Li2VCl4,-4.7790991936000005,-1.8796851302,0.0113262536,0.0113262536,GGA,Imma,A4B2C_oI28_74_hi_ae_c:Cl-Li-V,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_ce_a:Cl-Li-V, expected Li2VCl10 to be Li2VCl4" +mp-532443,Li5V5Cl16,-5.055779746,-1.8042131597,0.0005201181,0.0005201181,GGA,Aem2,A16B5C5_oC104_39_4c6d_a2cd_c2d:Cl-Li-V,52.0,"Invalid WP multiplicities - A16B5C5_oC104_39_8c10d_2a4c2d_2c3d:Cl-Li-V, expected Li5(V2Cl7)2 to be Li5V5Cl16" +mp-29250,Li6VCl8,-4.3646213087,-2.0095722053,0.0125927253,0.0125927253,GGA,Fm-3m,A8B6C_cF60_225_ce_d_a:Cl-Li-V,15.0,"Invalid WP multiplicities - A8B6C_cF60_225_c2e_d_a:Cl-Li-V, expected Li6VCl14 to be Li6VCl8" +mp-1197943,ZrTiCuO5,-8.5896722825,-2.9301919234,0.0495229244,0.0495229244,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Cu-O-Ti-Zr,32.0,AB5CD_oP32_19_a_5a_a_a:Cu-O-Ti-Zr +mp-1228025,Ba3Sr(ClF)4,-5.46515816,-3.5912847614,0.0102907633,0.0102907633,GGA,P4mm,A3B4C4D_tP12_99_a2b_2a2b_2c_a:Ba-Cl-F-Sr,12.0,"Invalid WP multiplicities - A3B4C4D_tP12_99_a2b_2a2b_4c_a:Ba-Cl-F-Sr, expected Ba3Sr(ClF2)4 to be Ba3Sr(ClF)4" +mp-1112216,K2TlCuBr6,-3.124804331,-1.3247225619,0.0451872639,0.0451872639,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Tl +mp-1112140,Cs2NaSbI6,-2.880734428,-1.2724814902,0.029831639,0.029831639,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Sb +mp-1110813,Na3SbI6,-2.663045117,-0.969367595,0.1941851735,0.1941851735,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Na-Sb,10.0,A6B3C_cF40_225_e_ac_b:I-Na-Sb +mp-556890,BaNaCr2F9,-6.4057273923,-3.3479654015,0.0,-0.0004940013,GGA+U,P2_1/c,AB2C9D_mP52_14_e_2e_9e_e:Ba-Cr-F-Na,52.0,"Invalid WP multiplicities - AB2C9D_mP52_14_e_5e_9e_e:Ba-Cr-F-Na, expected BaNaCr5F9 to be BaNaCr2F9" +mp-1214564,BaNaCrF6,-6.1702592726,-3.4632124384000003,0.0,-0.004699726,GGA+U,Pna2_1,ABC6D_oP72_33_2a_2a_12a_2a:Ba-Cr-F-Na,72.0,ABC6D_oP72_33_2a_2a_12a_2a:Ba-Cr-F-Na +mp-558077,Ba3Na2Cr4F20,-6.3862200026,-3.4467805323,0.0,-0.0075458963,GGA+U,P2_1/c,A3B4C20D2_mP58_14_ae_2e_10e_e:Ba-Cr-F-Na,58.0,"Invalid WP multiplicities - A3B4C20D2_mP58_14_2a2e_6e_37e_e:Ba-Cr-F-Na, expected Ba3NaCr6F37 to be Ba3Na2Cr4F20" +mp-555890,La7(RuO6)3,-8.4242444226,-3.0165424884,0.0,-0.0098709636,GGA,R-3c,A7B18C3_hR336_167_c2f_6f_bce:La-O-Ru,112.0,"Invalid WP multiplicities - A7B18C3_hR336_167_3c13f_64f_2b4c3e:La-O-Ru, expected La84Ru19O384 to be La7(RuO6)3" +mp-766364,La19(RuO6)8,-8.4259364884,-3.0203309757,0.0151278309,0.0151278309,GGA,P1,A19B48C8_aP75_1_19a_48a_8a:La-O-Ru,75.0,A19B48C8_aP75_1_19a_48a_8a:La-O-Ru +mp-541611,La4Ru6O19,-8.160048349,-2.3194438947,0.0,-0.0047228069,GGA,I23,A4B19C6_cI58_197_c_adf_e:La-O-Ru,29.0,A4B19C6_cI58_197_c_adf_e:La-O-Ru +mp-1220759,NaLa(RuO3)2,-7.459250545,-2.0105035704,0.1271792137,0.1271792137,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Ru,10.0,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Ru +mp-5032,La3Ru3O11,-8.2572702921,-2.5487523651,0.0074837235,0.0074837235,GGA,Pn-3,A3B11C3_cP68_201_be_efh_g:La-O-Ru,68.0,"Invalid WP multiplicities - A3B11C3_cP68_201_be_2ef3h_g:La-O-Ru, expected La3Ru3O25 to be La3Ru3O11" +mp-554824,La3RuO7,-8.4756323493,-3.1384282735,0.0165674484,0.008169364,GGA,P2_1/c,A3B7C_mP44_14_3e_7e_e:La-O-Ru,44.0,"Invalid WP multiplicities - A3B7C_mP44_14_9e_24e_e:La-O-Ru, expected La9RuO24 to be La3RuO7" +mp-3222,La3RuO7,-8.4921997977,-3.1549957219,0.0,-0.0083980844,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:La-O-Ru,22.0,A3B7C_oC44_63_ag_cgh_b:La-O-Ru +mp-6389,NaLa2RuO6,-7.809778173,-2.7948707419,0.0,-0.0228903121,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Na-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Na-O-Ru +mp-1202241,La2RuO5,-8.4287830075,-2.9438004692,0.0394358234,0.0394358234,GGA,P-1,A2B5C_aP32_2_4i_10i_2i:La-O-Ru,32.0,A2B5C_aP32_2_4i_10i_2i:La-O-Ru +mp-5299,La2RuO5,-8.4451298937,-2.9601473555,0.0230889372,0.0230889372,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:La-O-Ru,32.0,A2B5C_mP32_14_2e_5e_e:La-O-Ru +mp-559854,La8Ru4O21,-8.4143531918,-2.9456825877,0.0134485186,0.0134485186,GGA,P6_3cm,A8B21C4_hP66_185_b2c_3c2d_ac:La-O-Ru,66.0,"Invalid WP multiplicities - A8B21C4_hP66_185_2b6c_15c22d_2a3c:La-O-Ru, expected La22Ru11O177 to be La8Ru4O21" +mp-20472,LaRuO3,-8.3709623095,-2.5608671538000003,0.0444983945,0.0444983945,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Ru,20.0,AB3C_oP20_62_c_cd_a:La-O-Ru +mp-1114138,Rb2AlInI6,-2.895795999,-1.1659434185,0.0774534053,0.0774534053,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-I-In-Rb +mp-555143,LiCaCoF6,-5.5815026044,-3.0824232326,0.0136483283,0.0136483283,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Ca-Co-F-Li,18.0,ABC6D_hP18_163_b_c_i_d:Ca-Co-F-Li +mp-1398496,CaCoF6,-5.3126427775,-2.7397938425,0.0,-0.0761965969,GGA+U,R-3,ABC6_hR24_148_a_b_f:Ca-Co-F,8.0,ABC6_hR24_148_a_b_f:Ca-Co-F +mp-1346936,CaCoF5,-5.6465168507,-2.9791864918,0.0649246461,0.0649246461,GGA+U,P2_1/c,ABC5_mP28_14_e_e_5e:Ca-Co-F,28.0,ABC5_mP28_14_e_e_5e:Ca-Co-F +mp-1398579,CaCoF5,-5.6658018364,-2.9984714775,0.0456396604,0.0456396604,GGA+U,C2/c,ABC5_mC28_15_e_a_e2f:Ca-Co-F,14.0,"Invalid WP multiplicities - ABC5_mC28_15_e_c_e3f:Ca-Co-F, expected CaCoF7 to be CaCoF5" +mp-1389180,CaCoF4,-6.033519495,-3.2402139042,0.04774347,0.04774347,GGA+U,C2/c,ABC4_mC24_15_e_c_2f:Ca-Co-F,12.0,"Invalid WP multiplicities - ABC4_mC24_15_e_a_6f:Ca-Co-F, expected CaCoF12 to be CaCoF4" +mp-1111213,K2RbGaBr6,-3.208586315,-1.6538265181,0.154790038,0.154790038,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Ga-K-Rb +mp-1114039,KRb2GaBr6,-3.25208605,-1.7103127405,0.098285569,0.098285569,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-K-Rb +mp-1222719,LaTiSbO6,-8.2599316167,-3.0776391023,0.0,-0.009529205,GGA,P312,AB6CD_hP9_149_b_l_c_e:La-O-Sb-Ti,9.0,AB6CD_hP9_149_b_l_c_e:La-O-Sb-Ti +mp-9333,La3TiSb5,-5.9319563672,-1.115454197,0.0,-0.0336423278,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:La-Sb-Ti,18.0,"Invalid WP multiplicities - A3B5C_hP18_193_g_2d2g_b:La-Sb-Ti, expected La3TiSb10 to be La3TiSb5" +mp-1102819,Ba3Yb2TeO5,-6.0368095618,-2.6992740319,0.2541025706,0.2541025706,GGA,P4/mmm,A3B5CD2_tP11_123_ch_ai_b_g:Ba-O-Te-Yb,,A3B5CD2_tP11_123_ch_ai_b_g:Ba-O-Te-Yb +mp-1222704,LaZnAgP2,-4.688595384,-0.7176130377000001,0.0083918055,0.0083918055,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Ag-La-P-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Ag-La-P-Zn +mp-1104549,Na2Re(ClO)6,-4.3064495747,-0.5823875747,0.7815772159000001,0.7815772159000001,GGA,P-1,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Re,15.0,A6B2C6D_aP15_2_3i_i_3i_a:Cl-Na-O-Re +mp-1042220,BaCuReO5,-7.2048317438,-1.8053126998,0.3862878844,0.3862878844,GGA,P4mm,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Re,8.0,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Re +mp-852643,CuReO4,-6.8408332781,-0.7857518281,0.984830128,0.9529518553,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Cu-O-Re,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:Cu-O-Re, expected Cu5Re5O23 to be CuReO4" +mp-768337,CuReO4,-7.7473895136,-1.6923080636,0.0782738924,0.0463956197,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Cu-O-Re,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:Cu-O-Re, expected Cu5Re5O23 to be CuReO4" +mp-768878,CuReO4,-7.8022186489,-1.7471371989,0.0234447572,-0.0084335156,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Cu-O-Re,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:Cu-O-Re, expected Cu5Re5O23 to be CuReO4" +mp-755115,CuReO4,-7.76927016,-1.7141887100000002,0.056393246,0.0245149733,GGA,P-1,AB4C_aP12_2_i_4i_i:Cu-O-Re,12.0,"Invalid WP multiplicities - AB4C_aP12_2_i_7i_i:Cu-O-Re, expected CuReO7 to be CuReO4" +mp-645206,CuReO4,-7.8255194321,-1.7704379821,0.000143974,-0.0317342987,GGA,Cc,AB4C_mC96_9_4a_16a_4a:Cu-O-Re,48.0,"Invalid WP multiplicities - AB4C_tI96_110_b_23b_b:Cu-O-Re, expected CuReO23 to be CuReO4" +mp-1041019,CuReO4,-7.8179050352,-1.7628235852,0.0077583708,-0.0241199019,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cu-O-Re,48.0,"Invalid WP multiplicities - AB4C_mP48_14_6e_26e_5e:Cu-O-Re, expected Cu6Re5O26 to be CuReO4" +mp-1181782,CuReO4,-7.825663406,-1.770581956,0.0,-0.0318782727,GGA,I4_1cd,AB4C_tI96_110_b_4b_b:Cu-O-Re,48.0,AB4C_tI96_110_b_4b_b:Cu-O-Re +mp-1147523,Ba4Cu3ReO12,-6.6486344745,-2.0597189,0.107147568,0.107147568,GGA,Im-3m,A4B3C12D_cI40_229_c_b_de_a:Ba-Cu-O-Re,20.0,"Invalid WP multiplicities - A4B3C12D_cI40_229_c_b_2de_a:Ba-Cu-O-Re, expected Ba4Cu3ReO18 to be Ba4Cu3ReO12" +mp-9569,Ca(ZnP)2,-3.771104786,-0.7007663633,0.0,-0.1676116138,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-P-Zn,5.0,AB2C2_hP5_164_a_d_d:Ca-P-Zn +mp-22295,Ca(Cu2P)2,-4.6233317443,-0.4477558052,0.0,-0.0361669512,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Ca-Cu-P,14.0,AB4C2_tP14_136_a_i_f:Ca-Cu-P +mp-569617,Ca3Zn2(CuP2)2,-4.2797812882,-0.7899712676,0.0,-8.81054e-05,GGA,P-3m1,A3B2C4D2_hP11_164_ac_d_2d_d:Ca-Cu-P-Zn,11.0,"Invalid WP multiplicities - A3B2C4D2_hP11_164_a2c_d_2d_d:Ca-Cu-P-Zn, expected Ca5Zn2(CuP2)2 to be Ca3Zn2(CuP2)2" +mp-571306,Ca2Zn2CuP3,-4.1222868613,-0.763561715,0.0,-0.00146698,GGA,P6_3/mmc,A2BC3D2_hP16_194_e_c_df_f:Ca-Cu-P-Zn,16.0,"Invalid WP multiplicities - A2BC3D2_hP16_194_e_c_2d2f_f:Ca-Cu-P-Zn, expected Ca2Zn2CuP6 to be Ca2Zn2CuP3" +mp-28660,Ca2Cu6P5,-4.7489272346,-0.4663924413,0.0,-0.0009237187,GGA,I4/mmm,A2B6C5_tI26_139_e_dg_a2e:Ca-Cu-P,13.0,"Invalid WP multiplicities - A2B6C5_tI26_139_e_2dg_a3e:Ca-Cu-P, expected Ca2Cu8P7 to be Ca2Cu6P5" +mp-7422,Ca(CuP)2,-4.762804278,-0.5566806313,0.0089366843,0.0089366843,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Cu-P,5.0,AB2C2_tI10_139_a_d_e:Ca-Cu-P +mp-669391,Ca4Zn2Cu3P5,-4.3696346557,-0.8049189926,7.73032e-05,7.73032e-05,GGA,P6_3/mmc,A4B3C5D2_hP28_194_2e_cf_d2f_f:Ca-Cu-P-Zn,28.0,"Invalid WP multiplicities - A4B3C5D2_hP28_194_3e_2c2f_2d7f_f:Ca-Cu-P-Zn, expected Ca3ZnCu3P8 to be Ca4Zn2Cu3P5" +mp-8432,CaCuP,-4.6994577517,-0.8600880661,0.0,-0.1331028933,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Cu-P,6.0,ABC_hP6_194_a_c_d:Ca-Cu-P +mp-546621,ErBi2BrO4,-6.6457904288,-2.4472303981,0.0,-0.046767445,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Er-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Er-O +mp-1147576,Sr2Cu(SCl)2,-4.5060632771,-1.7277537585,0.3243051876,0.3243051876,GGA,I4/mmm,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-S-Sr,7.0,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-S-Sr +mp-1147579,Sr2Cu(SCl)2,-4.7254297857,-1.9471202671,0.104938679,0.104938679,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-S-Sr,7.0,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-S-Sr +mp-1101020,TiTl5F9,-5.094430657,-2.6336294265,0.0,-0.0121483202,GGA,Pmc2_1,A9BC5_oP30_26_2a3b2c_a_b2c:F-Ti-Tl,30.0,"Invalid WP multiplicities - A9BC5_oP30_26_4a6b4c_a_2b4c:F-Ti-Tl, expected TiTl10F18 to be TiTl5F9" +mp-1113853,Rb2TiTlF6,-5.434566237,-3.0657585257,0.0739271215,0.0739271215,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ti-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ti-Tl +mp-15635,TiTl3F6,-5.302526895,-2.6572973688,0.0948392407,0.0948392407,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ti-Tl,10.0,A6BC3_cF40_225_e_a_bc:F-Ti-Tl +mp-10402,TiTl2F6,-5.7345575789000005,-3.0579295661,0.0,-0.0728151202,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ti-Tl,9.0,A6BC2_hP9_164_i_a_d:F-Ti-Tl +mp-3267,TlSb5S8,-4.5640988421,-0.5570096792,0.0013783125,0.0013783125,GGA,Pc,A8B5C_mP56_7_16a_10a_2a:S-Sb-Tl,56.0,A8B5C_mP56_7_16a_10a_2a:S-Sb-Tl +mp-27515,TlSb3S5,-4.4993114614,-0.5624341057000001,0.0,-0.0006045228,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:S-Sb-Tl,36.0,A5B3C_mP36_14_5e_3e_e:S-Sb-Tl +mp-8378,Tl3SbS4,-4.0185355344,-0.5481942659,0.0,-0.0032191208,GGA,P-1,A4BC3_aP16_2_4i_i_3i:S-Sb-Tl,16.0,"Invalid WP multiplicities - A4BC3_aP16_2_8i_i_6i:S-Sb-Tl, expected Tl6SbS8 to be Tl3SbS4" +mp-1095594,TlAgS,-3.4628908317,-0.3523411594,0.0170840579,0.0170840579,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-S-Tl,12.0,ABC_oP12_62_c_c_c:Ag-S-Tl +mp-676540,TlSbS2,-4.2663713587,-0.5752353286,0.0,-0.0166480217,GGA,P-1,A2BC_aP8_2_2i_i_i:S-Sb-Tl,8.0,A2BC_aP8_2_2i_i_i:S-Sb-Tl +mp-1216526,TlSbS2,-4.0400672575,-0.3489312274,0.2263041013,0.2096560795,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:S-Sb-Tl,4.0,A2BC_tP4_123_ad_b_c:S-Sb-Tl +mp-1247756,TlSbS2,-4.129998705,-0.4388626749,0.1363726537,0.119724632,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:S-Sb-Tl,8.0,A2BC_tI16_141_e_a_b:S-Sb-Tl +mp-4762,TlAg3S2,-3.4804925346,-0.2916240528,0.0068546227,0.0068546227,GGA,Pbcn,A3B2C_oP24_60_cd_d_c:Ag-S-Tl,24.0,"Invalid WP multiplicities - A3B2C_oP24_60_3c2d_d_c:Ag-S-Tl, expected TlAg7S2 to be TlAg3S2" +mp-8393,Tl3SbS3,-3.92882432,-0.5536414228000001,0.0,-0.0057991061,GGA,R3m,A3BC3_hR21_160_b_a_b:S-Sb-Tl,7.0,A3BC3_hR21_160_b_a_b:S-Sb-Tl +mp-581376,Tl3Ag3(SbS3)2,-3.9435896875,-0.4677111781,0.0,-0.0096360671,GGA,P2_1/c,A3B6C2D3_mP56_14_3e_6e_2e_3e:Ag-S-Sb-Tl,56.0,"Invalid WP multiplicities - A3B6C2D3_mP56_14_6e_20e_4e_8e:Ag-S-Sb-Tl, expected Tl4Ag3(SbS5)2 to be Tl3Ag3(SbS3)2" +mp-1223689,K2Cd3SnAs4,-3.074694921,-0.3111436561,0.0,-0.0062387094,GGA,Cm,A4B3C2D_mC20_8_4a_3a_2a_a:As-Cd-K-Sn,10.0,A4B3C2D_mC20_8_4a_3a_2a_a:As-Cd-K-Sn +mp-1224517,Hf3TePb4O13,-7.9648537771,-2.6233102291,0.0,-0.0154926776,GGA,R3m,A3B13C4D_hR63_160_b_a4b_ab_a:Hf-O-Pb-Te,21.0,"Invalid WP multiplicities - A3B13C4D_hR63_160_b_a12b_ab_a:Hf-O-Pb-Te, expected Hf3TePb4O37 to be Hf3TePb4O13" +mp-18352,HfTe3O8,-7.0604739185,-2.1470892185,0.0,-0.0202612755,GGA,Ia-3,AB8C3_cI96_206_a_ce_d:Hf-O-Te,48.0,AB8C3_cI96_206_a_ce_d:Hf-O-Te +mp-540651,BaMnSnS4,-5.4706171614,-0.9511369393,0.3123267521,0.3123267521,GGA,Fdd2,ABC4D_oF224_43_2ab_2b_8b_2b:Ba-Mn-S-Sn,56.0,"Invalid WP multiplicities - ABC4D_oF224_43_4a2b_6b_30b_4b:Ba-Mn-S-Sn, expected Ba2Mn3Sn2S15 to be BaMnSnS4" +mp-975646,PrZnSbO,-5.6452736912,-1.8661888622,0.0,-0.0327207103,GGA,P4/nmm,ABCD_tP8_129_a_c_c_b:O-Pr-Sb-Zn,8.0,ABCD_tP8_129_a_c_c_b:O-Pr-Sb-Zn +mp-1206473,Pr2ZnSb3,-2.0115589667,1.8565341733,2.7559425009,2.7559425009,GGA,P4/mmm,A2B3C_tP6_123_g_ag_b:Pr-Sb-Zn,6.0,A2B3C_tP6_123_g_ag_b:Pr-Sb-Zn +mp-555896,Pr9(SbO)5,-6.99710258,-2.344123551,0.0,-0.0191338136,GGA,P4/n,A5B9C5_tP38_85_cg_c2g_cg:O-Pr-Sb,38.0,"Invalid WP multiplicities - A5B9C5_tP38_85_2c2g_2c11g_2c2g:O-Pr-Sb, expected Pr23(SbO)5 to be Pr9(SbO)5" +mp-5448,Pr3SbO7,-8.0976112291,-3.270471276,0.0,-0.0508803294,GGA,Cmcm,A7B3C_oC44_63_cgh_ag_b:O-Pr-Sb,22.0,A7B3C_oC44_63_cgh_ag_b:O-Pr-Sb +mp-1044495,PrZn(SbO3)2,-6.5241201305,-2.1262417193,0.225269351,0.225269351,GGA,Pmn2_1,A6BC2D_oP20_31_2a2b_a_b_a:O-Pr-Sb-Zn,20.0,"Invalid WP multiplicities - A6BC2D_oP20_31_4a4b_a_b_a:O-Pr-Sb-Zn, expected PrZn(SbO6)2 to be PrZn(SbO3)2" +mp-554878,PrSbO4,-6.9652298375,-2.1824528642,0.6069138488,0.4817300625,GGA,P2/c,A4BC_mP24_13_4g_g_g:O-Pr-Sb,24.0,"Invalid WP multiplicities - A4BC_mP24_13_14g_g_g:O-Pr-Sb, expected PrSbO14 to be PrSbO4" +mp-13194,PrSbO4,-7.567070153299999,-2.78429318,0.0050735329,-0.1201102533,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pr-Sb,24.0,A4BC_mP24_14_4e_e_e:O-Pr-Sb +mp-1205344,PrSbO4,-7.5721436863,-2.7893667129,0.0,-0.1251837862,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pr-Sb,24.0,A4BC_mP24_14_4e_e_e:O-Pr-Sb +mp-1044440,Pr(SbO3)2,-7.0450316678,-2.2984716119,0.1738860963,0.1738860963,GGA,Pmn2_1,A6BC2_oP18_31_2a2b_a_b:O-Pr-Sb,18.0,"Invalid WP multiplicities - A6BC2_oP18_31_4a4b_a_b:O-Pr-Sb, expected Pr(SbO6)2 to be Pr(SbO3)2" +mp-676273,Pr2SbO2,-7.5838423,-2.8670042655,0.015543186,-0.0186928695,GGA,C2/m,A2B2C_mC10_12_h_i_a:O-Pr-Sb,5.0,A2B2C_mC10_12_h_i_a:O-Pr-Sb +mp-1173341,Pr2SbO2,-7.599385486,-2.8825474515,0.0,-0.0342360555,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:O-Pr-Sb,5.0,A2B2C_tI10_139_d_e_a:O-Pr-Sb +mp-2973,Pr3Sb5O12,-7.3103309743,-2.5929315743,0.0,-0.0639636732,GGA,I-43m,A12B3C5_cI80_217_2g_d_ce:O-Pr-Sb,40.0,A12B3C5_cI80_217_2g_d_ce:O-Pr-Sb +mp-1031545,RbMg6AlO8,-5.9228101762000005,-2.553978933,0.4520017538,0.4520017538,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Rb, expected RbMg6AlO12 to be RbMg6AlO8" +mp-1033042,RbMg6AlO8,-5.8337207819,-2.4648895386,0.5410911481,0.5410911481,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Rb, expected RbMg6AlO12 to be RbMg6AlO8" +mp-1038197,RbMg30AlO32,-6.2509715962,-2.9536505,0.0883748963,0.0883748963,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Rb, expected RbMg110AlO72 to be RbMg30AlO32" +mp-1038203,RbMg30AlO32,-6.2611392841,-2.9638181878000003,0.0782072084,0.0782072084,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Rb, expected RbMg90AlO80 to be RbMg30AlO32" +mp-1036574,RbMg14AlO16,-6.1543083541,-2.8331505421000003,0.1968599509,0.1968599509,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Rb, expected RbMg18AlO20 to be RbMg14AlO16" +mp-1036480,RbMg14AlO16,-6.1304225631,-2.8092647512,0.2207457419,0.2207457419,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Rb, expected RbMg30AlO32 to be RbMg14AlO16" +mp-1041311,ZnCu2(SnO4)2,-5.764906161,-1.3763822879,0.2053638137,0.2053638137,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-Sn-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-Sn-Zn, expected ZnCu6Sn5O26 to be ZnCu2(SnO4)2" +mp-1042654,ZnCu3(SnO3)4,-6.014093378,-1.5662975992,0.160883374,0.160883374,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Zn,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Zn +mp-621112,Cs5Nb2S4Cl9,-4.7779926015,-1.8848800341,0.0,-0.0282598405,GGA,Immm,A9B5C2D4_oI40_71_aln_bl_g_m:Cl-Cs-Nb-S,20.0,"Invalid WP multiplicities - A9B5C2D4_oI40_71_a3l3n_b2l_g_m:Cl-Cs-Nb-S, expected Cs9Nb2S4Cl25 to be Cs5Nb2S4Cl9" +mp-1041214,CaHo(FeO3)2,-7.873854176,-2.5530358323,0.0,-0.0028231818,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Fe-Ho-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_31_a_b_a_4a4b:Ca-Fe-Ho-O, expected CaHo(FeO6)2 to be CaHo(FeO3)2" +mp-1226139,Dy9Al5S21,-6.2176173889,-2.016062877,0.0,-0.0072891381,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:Al-Dy-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:Al-Dy-S, expected Dy24Al5S51 to be Dy9Al5S21" +mp-1196052,Dy2Al2Fe15,-7.6526695424,-0.0866146218,0.0263175055,0.0263175055,GGA,P6_3/mmc,A2B2C15_hP38_194_f_bc_gjk:Al-Dy-Fe,38.0,A2B2C15_hP38_194_f_bc_gjk:Al-Dy-Fe +mp-1191911,Dy3AlFeS7,-6.4214931946,-1.8389009756,0.0559857317,0.0559857317,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Fe-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Fe-S +mp-1225421,Dy2Al5Fe12,-7.0347867405,-0.21469688,0.0232600033,0.0232600033,GGA,R3m,A5B2C12_hR57_160_2ab_2a_2bc:Al-Dy-Fe,19.0,A5B2C12_hR57_160_2ab_2a_2bc:Al-Dy-Fe +mp-1197186,Dy2Al5Fe12,-6.9640190616,-0.1439292011,0.0940276822,0.0940276822,GGA,P6_3/mmc,A5B2C12_hP38_194_fg_bc_jk:Al-Dy-Fe,38.0,A5B2C12_hP38_194_fg_bc_jk:Al-Dy-Fe +mp-1225412,Dy3(Al2Fe)2,-5.4458019683,-0.3632790506,0.0139682674,0.0139682674,GGA,P-1,A4B3C2_aP18_2_bc3i_3i_dei:Al-Dy-Fe,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_bc4i_5i_dei:Al-Dy-Fe, expected Dy5Al5Fe2 to be Dy3(Al2Fe)2" +mp-1225629,Dy(AlFe)6,-6.3794108892,-0.3870748062,0.0,-0.0402198178,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Dy-Fe,13.0,A6BC6_oI26_71_efg_a_hk:Al-Dy-Fe +mp-1106052,Dy2Al3Fe14,-7.4312926689,-0.1138927684,0.0408458301,0.0408458301,GGA,R-3m,A3B2C14_hR57_166_d_c_cfh:Al-Dy-Fe,19.0,A3B2C14_hR57_166_d_c_cfh:Al-Dy-Fe +mp-1225501,DyAlFe2,-6.5403156925,-0.21721442,0.0289270468,0.0289270468,GGA,P-3m1,ABC2_hP24_164_i_3d_abcdi:Al-Dy-Fe,24.0,ABC2_hP24_164_i_3d_abcdi:Al-Dy-Fe +mp-1225310,Dy2Al3Fe,-5.22133404,-0.40128031,0.0124693872,0.0124693872,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Dy-Fe,6.0,A3B2C_hR18_166_d_c_a:Al-Dy-Fe +mp-5091,Dy(Al2Fe)4,-5.6963563277,-0.4308579954,0.0,-0.0440854613,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Dy-Fe,13.0,A8BC4_tI26_139_ij_a_f:Al-Dy-Fe +mp-1213056,Dy(Al5Fe)2,-4.8944810400000005,-0.3558204585,0.0,-0.0101301362,GGA,Cmcm,A10BC2_oC52_63_e2f2g_c_d:Al-Dy-Fe,26.0,A10BC2_oC52_63_e2f2g_c_d:Al-Dy-Fe +mp-1225345,Dy4Al3Fe5,-6.22243519,-0.221270115,0.0254079677,0.0254079677,GGA,P-6m2,A3B4C5_hP12_187_j_gh_ik:Al-Dy-Fe,12.0,"Invalid WP multiplicities - A3B4C5_hP12_187_j_2gh_ik:Al-Dy-Fe, expected Dy6Al3Fe5 to be Dy4Al3Fe5" +mp-1225357,DyAl7Fe5,-6.0254997546,-0.3965825469,0.0123838538,0.0123838538,GGA,Imm2,A7BC5_oI26_44_2ab2c_a_be:Al-Dy-Fe,13.0,A7BC5_oI26_44_2ab2c_a_be:Al-Dy-Fe +mp-1225347,DyAlFe,-5.9013961892,-0.2939348958,0.0087014306,0.0087014306,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Dy-Fe,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Dy-Fe, expected Dy3(AlFe)2 to be DyAlFe" +mp-1192418,Dy3AlNiS7,-6.2035549854,-1.8451198106,0.0276678172,0.0276678172,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Ni-S +mp-1079121,SmCoC2,-7.87490339,-0.3038446613,0.0,-0.1712256024,GGA,Cc,A2BC_mC16_9_2a_a_a:C-Co-Sm,8.0,A2BC_mC16_9_2a_a_a:C-Co-Sm +mp-999190,SmCoC2,-7.8594842375,-0.2884255088,0.0154191525,-0.1558064499,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Sm,4.0,A2BC_oC8_38_d_a_b:C-Co-Sm +mp-1219302,Sm2Co18Si4C3,-7.18813377,-0.2705722449,0.0156612375,0.0156612375,GGA,C2/m,A3B18C4D2_mC54_12_ae_i4j_bcf_i:C-Co-Si-Sm,27.0,"Invalid WP multiplicities - A3B18C4D2_mC54_12_af_i8j_bce_i:C-Co-Si-Sm, expected Sm2Co34Si4C3 to be Sm2Co18Si4C3" +mp-1229026,Al2Fe2Bi2O9,-7.3772953263,-2.2684706102,0.0104931405,0.0104931405,GGA+U,Pbam,A2B2C2D9_oP30_55_g_h_f_aghi:Al-Bi-Fe-O,30.0,A2B2C2D9_oP30_55_g_h_f_aghi:Al-Bi-Fe-O +mp-1229040,Al2Fe2Bi2O9,-7.348459601,-2.2396348849,0.0393288658,0.0393288658,GGA+U,Pbam,A2B2C2D9_oP30_55_f_h_g_aghi:Al-Bi-Fe-O,30.0,A2B2C2D9_oP30_55_f_h_g_aghi:Al-Bi-Fe-O +mp-1360989,Al4(FeO4)3,-7.5651094753,-2.3149709761,0.2202313742,0.2202313742,GGA+U,P1,A4B3C12_aP38_1_8a_6a_24a:Al-Fe-O,38.0,A4B3C12_aP38_1_8a_6a_24a:Al-Fe-O +mp-1361586,Al4(FeO4)3,-7.563037975,-2.3128994758,0.2223028744,0.2223028744,GGA+U,Cm,A4B3C12_mC76_8_2a3b_6a_12a6b:Al-Fe-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_8_2a6b_6a_12a8b:Al-Fe-O, expected Al7Fe3O14 to be Al4(FeO4)3" +mp-1253012,Al4(FeO4)3,-7.5478770903,-2.2977385911,0.2374637592,0.2374637592,GGA+U,Cm,A4B3C12_mC76_8_8a_3b_12a6b:Al-Fe-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_8_8a_6b_12a12b:Al-Fe-O, expected Al2(FeO3)3 to be Al4(FeO4)3" +mp-1360164,Al4(FeO4)3,-7.5417518976,-2.2916133984,0.2435889518,0.2435889518,GGA+U,C2/m,A4B3C12_mC76_12_adej_3i_6i3j:Al-Fe-O,38.0,"Invalid WP multiplicities - A4B3C12_mC76_12_ac2e2j_6i_12i12j:Al-Fe-O, expected Al7(FeO6)6 to be Al4(FeO4)3" +mp-1258020,Al2Fe2O7,-7.2870386991,-1.9181282392,0.4654391007,0.4654391007,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Al-Fe-O,22.0,A2B2C7_cF88_227_c_d_af:Al-Fe-O +mp-1264966,AlFeO3,-7.7426695995,-2.3315369648,0.236047592,0.236047592,GGA+U,P-1,ABC3_aP20_2_2i_abeh_6i:Al-Fe-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_3i_abeh_11i:Al-Fe-O, expected Al3Fe2O11 to be AlFeO3" +mp-1259818,AlFeO3,-7.768090903,-2.3569582682,0.2106262885,0.2106262885,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Al-Fe-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_3i_abeh_11i:Al-Fe-O, expected Al3Fe2O11 to be AlFeO3" +mp-21216,AlFeO3,-7.9347613565,-2.5236287218,0.043955835,0.043955835,GGA+U,Pna2_1,ABC3_oP40_33_2a_2a_6a:Al-Fe-O,40.0,ABC3_oP40_33_2a_2a_6a:Al-Fe-O +mp-776154,AlFeO3,-7.898401108,-2.4872684733,0.0803160835,0.0803160835,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Al-Fe-O,20.0,ABC3_oP20_62_a_c_cd:Al-Fe-O +mp-1254277,AlFeO3,-7.6984840205,-2.2873513858,0.280233171,0.280233171,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Al-Fe-O,20.0,ABC3_oP20_62_c_a_cd:Al-Fe-O +mp-1178577,AlFeO3,-7.946164339,-2.5350317043,0.0325528525,0.0325528525,GGA+U,R-3,ABC3_hR30_148_c_c_f:Al-Fe-O,20.0,ABC3_hR30_148_c_c_f:Al-Fe-O +mp-1398131,AlFeO3,-7.713172641,-2.3020400063,0.2655445505,0.2655445505,GGA+U,P6_3/mmc,ABC3_hP10_194_a_c_bf:Al-Fe-O,10.0,ABC3_hP10_194_a_c_bf:Al-Fe-O +mp-1421498,AlFeO3,-6.574422204,-1.1632895693,1.4042949875,1.4042949875,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Al-Fe-O,5.0,ABC3_cP5_221_a_b_c:Al-Fe-O +mp-1229137,Al2Fe3(BiO4)3,-7.196370826,-2.0072234653,0.1232697719,0.1232697719,GGA+U,P1,A2B3C3D12_aP20_1_2a_3a_3a_12a:Al-Bi-Fe-O,20.0,A2B3C3D12_aP20_1_2a_3a_3a_12a:Al-Bi-Fe-O +mp-1372169,Al2Fe3(BiO4)3,-6.255267322,-1.0661199612,1.0643732759,1.0643732759,GGA+U,P1,A2B3C3D12_aP20_1_2a_3a_3a_12a:Al-Bi-Fe-O,20.0,A2B3C3D12_aP20_1_2a_3a_3a_12a:Al-Bi-Fe-O +mp-1206753,AlFe3O,-6.27797304,0.5424925943000001,1.7379689023,1.7379689023,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Al-Fe-O,5.0,AB3C_cP5_221_a_c_b:Al-Fe-O +mp-1048821,Al(FeO2)3,-7.8968333765,-2.0132562037,0.1244634392,0.1244634392,GGA+U,P-3m1,AB3C6_hP40_164_cd_adfi_c2d3i:Al-Fe-O,40.0,"Invalid WP multiplicities - AB3C6_hP40_164_c2d_a2d3f3i_2c4d17i:Al-Fe-O, expected Al3Fe16O57 to be Al(FeO2)3" +mp-801915,Al15Fe9O32,-6.7965744679,-1.6053625554000002,1.2202793181,1.2202793181,GGA+U,P-1,A15B9C32_aP56_2_abcdf5i_h4i_16i:Al-Fe-O,56.0,"Invalid WP multiplicities - A15B9C32_aP56_2_abcdf9i_h7i_29i:Al-Fe-O, expected Al23Fe15O58 to be Al15Fe9O32" +mp-765944,Al15Fe9O32,-8.0097659354,-2.8185540229,0.0070878506,0.0070878506,GGA+U,C2/m,A15B9C32_mC112_12_aef3ij_d4i_8i4j:Al-Fe-O,56.0,"Invalid WP multiplicities - A15B9C32_mC112_12_a2ef5i3j_c7i_15i11j:Al-Fe-O, expected Al29Fe15O74 to be Al15Fe9O32" +mp-34782,Al2FeO4,-7.9965294388,-2.8896826224,0.0146069055,-0.0007778235,GGA+U,Cm,A2BC4_mC84_8_6a3b_6a_12a6b:Al-Fe-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab7d_a2b3c_2a2b2c15d:Al-Fe-O, expected Al8Fe2O17 to be Al2FeO4" +mp-30084,Al2FeO4,-8.0111363443,-2.9042895279,0.0,-0.015384729,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Fe-O,14.0,A2BC4_tI28_141_c_b_h:Al-Fe-O +mp-531674,Al2FeO4,-7.9887798926,-2.8819330761,0.0223564517,0.0069717227,GGA+U,C2/m,A2BC4_mC196_12_ac7i3j_e6i_14i7j:Al-Fe-O,98.0,"Invalid WP multiplicities - A2BC4_mC196_12_ad14i11j_2e11i_28i19j:Al-Fe-O, expected Al37Fe13O66 to be Al2FeO4" +mp-36465,Al2FeO4,-7.9469655443,-2.8401187279,0.0641708,0.048786071,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Al-Fe-O,28.0,A2BC4_oI28_74_ae_c_hi:Al-Fe-O +mp-530567,Al2FeO4,-7.977692891,-2.8708460745,0.0334434533,0.0180587243,GGA+U,P3m1,A2BC4_hP84_156_2a3bc6d_4a3b5c_4a4b4c12d:Al-Fe-O,84.0,"Invalid WP multiplicities - A2BC4_hP84_156_2a3bc12d_4a3b5c_4a4b4c31d:Al-Fe-O, expected Al14Fe4O35 to be Al2FeO4" +mp-34978,Al2FeO4,-7.9446898593,-2.8378430429,0.066446485,0.051061756,GGA+U,P3m1,A2BC4_hP42_156_2ab3d_a2b3c_2a2b2c6d:Al-Fe-O,42.0,"Invalid WP multiplicities - A2BC4_hP42_156_2ab8d_a2b3c_2a2b2c14d:Al-Fe-O, expected Al9(FeO8)2 to be Al2FeO4" +mp-530395,Al2FeO4,-7.5291326087,-2.4222857923,0.4820037355,0.4666190065,GGA+U,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Fe-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a11b_8a_8a21b:Al-Fe-O, expected Al37Fe8O71 to be Al2FeO4" +mp-530513,Al2FeO4,-7.849215240699999,-2.7423684243,0.1619211036,0.1465363745,GGA+U,R3m,A2BC4_hR168_160_4a4b_8a_8a8b:Al-Fe-O,56.0,"Invalid WP multiplicities - A2BC4_hR168_160_4a10b_8a_8a21b:Al-Fe-O, expected Al34Fe8O71 to be Al2FeO4" +mp-1251086,Al5(FeO4)3,-7.8701682907,-2.695257925,0.0872590886,0.0872590886,GGA+U,Cm,A5B3C12_mC80_8_4a3b_6a_12a6b:Al-Fe-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_8_4a6b_6a_12a8b:Al-Fe-O, expected Al8Fe3O14 to be Al5(FeO4)3" +mp-1359741,Al5(FeO4)3,-7.8941210722,-2.7192107065,0.0633063071,0.0633063071,GGA+U,C2/m,A5B3C12_mC80_12_e2ij_3i_6i3j:Al-Fe-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_12_2e2i4j_5i_12i12j:Al-Fe-O, expected Al12Fe5O36 to be Al5(FeO4)3" +mp-1356833,Al5(FeO4)3,-7.8573734207,-2.682463055,0.1000539586,0.1000539586,GGA+U,C2/m,A5B3C12_mC80_12_5i_ej_6i3j:Al-Fe-O,40.0,"Invalid WP multiplicities - A5B3C12_mC80_12_8i_2e2j_12i12j:Al-Fe-O, expected Al4(FeO6)3 to be Al5(FeO4)3" +mp-1293197,Al(FeO2)2,-8.0169435893,-2.2351760043,0.0399322882,0.0399322882,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Al-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_e_2a2c_3h4i:Al-Fe-O, expected Al(Fe2O7)2 to be Al(FeO2)2" +mp-1248448,Al(FeO2)2,-7.6179816486,-1.8362140636,0.4388942289,0.4388942289,GGA+U,I4_1/a,AB2C4_tI28_88_a_d_f:Al-Fe-O,14.0,AB2C4_tI28_88_a_d_f:Al-Fe-O +mp-1437358,Al(FeO2)2,-7.5291321964,-1.7473646114,0.5277436811,0.5277436811,GGA+U,R-3m,AB2C4_hR42_166_c_ad_ch:Al-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_hR42_166_c_a2d_2c2h:Al-Fe-O, expected Al2Fe7O16 to be Al(FeO2)2" +mp-505623,Al(FeO2)2,-7.9998104107,-2.2180428257,0.0570654668,0.0570654668,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Al-Fe-O,14.0,AB2C4_cF56_227_a_d_e:Al-Fe-O +mp-1214939,Al2(FeO3)3,-7.3831998168,-1.8530988388,0.3246781298,0.3246781298,GGA+U,C2/m,A2B3C9_mC56_12_j_acgh_3i3j:Al-Fe-O,28.0,A2B3C9_mC56_12_j_adgh_3i3j:Al-Fe-O +mp-1265553,Al2(FeO3)3,-7.4818774329,-1.951776455,0.2260005137,0.2260005137,GGA+U,Pna2_1,A2B3C9_oP112_33_4a_6a_18a:Al-Fe-O,112.0,"Invalid WP multiplicities - A2B3C9_oP112_33_13a_23a_68a:Al-Fe-O, expected Al13Fe23O68 to be Al2(FeO3)3" +mp-768409,TbTiO3,-9.1035641565,-3.6295793064,0.055962048,0.055962048,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Tb-Ti,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Tb-Ti, expected TbTiO7 to be TbTiO3" +mp-530379,Tb2TiO5,-8.9909470617,-3.7537385901,0.1260399964,0.0949352651,GGA,P1,A5B2C_aP64_1_40a_16a_8a:O-Tb-Ti,64.0,A5B2C_aP64_1_40a_16a_8a:O-Tb-Ti +mp-781646,Tb2TiO5,-9.0648293691,-3.8276208974,0.0521576891,0.0210529577,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Tb-Ti,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_17c_5c_c:O-Tb-Ti, expected Tb5TiO17 to be Tb2TiO5" +mp-752414,Tb2TiO5,-9.1169870581,-3.8797785865,0.0,-0.0311047313,GGA,Pnma,A5B2C_oP32_62_5c_2c_c:O-Tb-Ti,32.0,A5B2C_oP32_62_5c_2c_c:O-Tb-Ti +mp-850834,Tb5Ti5O17,-9.1390518552,-3.7041259783,0.0656641254,0.0656641254,GGA,Pmn2_1,A17B5C5_oP54_31_17a_5a_5a:O-Tb-Ti,54.0,"Invalid WP multiplicities - A17B5C5_oP54_31_34a_9a_10a:O-Tb-Ti, expected Tb9Ti10O34 to be Tb5Ti5O17" +mp-34439,Tb10Ti6O27,-9.0427723928,-3.7572559206,0.0987901063,0.0987901063,GGA,Cm,A27B10C6_mC86_8_11a8b_6a2b_2a2b:O-Tb-Ti,43.0,"Invalid WP multiplicities - A27B10C6_mC86_8_11a16b_6a2b_2a2b:O-Tb-Ti, expected Tb10Ti6O43 to be Tb10Ti6O27" +mp-779763,Tb2Ti2O7,-9.2130546909,-3.7870058534,0.0,-0.0101251768,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Tb-Ti,44.0,A7B2C2_mP44_4_28a_8a_8a:O-Tb-Ti +mp-769953,Tb2Ti2O7,-9.19402486,-3.7679760225,0.0190298309,0.0089046541,GGA,P4_12_12,A7B2C2_tP44_92_a3b_b_b:O-Tb-Ti,44.0,"Invalid WP multiplicities - A7B2C2_tP44_92_2a23b_b_b:O-Tb-Ti, expected TbTiO24 to be Tb2Ti2O7" +mp-4602,Tb2Ti2O7,-9.1939981786,-3.7679493412,0.0190565123,0.0089313355,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Tb-Ti,22.0,A7B2C2_cF88_227_af_c_d:O-Tb-Ti +mp-1208319,TbTiClO3,-8.4074269158,-3.5376834308,0.0,-0.0343864789,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:Cl-O-Tb-Ti,12.0,AB3CD_mC24_12_i_3i_i_i:Cl-O-Tb-Ti +mp-676167,Tb14Ti10O41,-9.0761111065,-3.7430298337,0.0896487498,0.0896487498,GGA,Cm,A41B14C10_mC130_8_17a12b_8a3b_4a3b:O-Tb-Ti,65.0,"Invalid WP multiplicities - A41B14C10_mC130_8_17a24b_8a4b_4a4b:O-Tb-Ti, expected Tb16Ti12O65 to be Tb14Ti10O41" +mp-772950,Ti2Cr3O12,-8.4160672526,-2.2919266069,0.0441084967,0.0441084967,GGA+U,Pbcn,A3B12C2_oP68_60_cd_6d_d:Cr-O-Ti,68.0,"Invalid WP multiplicities - A3B12C2_oP68_60_2c2d_21d_d:Cr-O-Ti, expected TiCr3O21 to be Ti2Cr3O12" +mp-1217930,TaTiCrO6,-9.6873506006,-3.1221895579,0.0108631278,0.0108631278,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Cr-O-Ta-Ti,36.0,AB6CD_tP18_102_a_3c_a_a:Cr-O-Ta-Ti +mp-1316892,TiCrO4,-8.9224341567,-2.6998851014,0.0756325525,0.0756325525,GGA+U,Cm,AB4C_mC12_8_a_4a_a:Cr-O-Ti,24.0,AB4C_tI12_119_a_ef_c:Cr-O-Ti +mp-755596,TiCrO4,-8.9266352333,-2.7040861781,0.0714314758,0.0714314758,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Cr-O-Ti,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Cr-O-Ti, expected TiCrO8 to be TiCrO4" +mp-1208207,TiCr2O5,-9.2231689106,-2.7312900965,0.0617367131,0.0617367131,GGA+U,C2/c,A2B5C_mC32_15_f_e2f_a:Cr-O-Ti,16.0,A2B5C_mC32_15_f_e2f_c:Cr-O-Ti +mp-753458,TiCr7O12,-9.2023155465,-2.4609611044,0.0372044542,0.0372044542,GGA+U,P1,A7B12C_aP20_1_7a_12a_a:Cr-O-Ti,20.0,A7B12C_aP20_1_7a_12a_a:Cr-O-Ti +mp-756083,TiCrO3,-9.2484537353,-2.7707326113,0.1198761873,0.1198761873,GGA+U,P1,AB3C_aP30_1_6a_18a_6a:Cr-O-Ti,30.0,AB3C_aP30_1_6a_18a_6a:Cr-O-Ti +mp-755606,TiCrO3,-9.253288666,-2.7755675419,0.1150412567,0.1150412567,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Cr-O-Ti,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Cr-O-Ti, expected TiCrO7 to be TiCrO3" +mp-851094,Ti7Cr12O48,-8.2270023024,-2.1292997368,0.0847738198,0.0847738198,GGA+U,P1,A12B48C7_aP67_1_12a_48a_7a:Cr-O-Ti,67.0,A12B48C7_aP67_1_12a_48a_7a:Cr-O-Ti +mp-19369,Ti2CrO5,-9.3648379366,-3.0926535541,0.0274092889,0.0274092889,GGA+U,C2/c,AB5C2_mC32_15_a_e2f_f:Cr-O-Ti,32.0,AB5C2_mC32_15_c_e2f_f:Cr-O-Ti +mp-676779,NaHo2F7,-6.412294922,-4.0255253414,0.157783443,0.157783443,GGA,P1,A7B2C_aP10_1_7a_2a_a:F-Ho-Na,10.0,A7B2C_aP10_1_7a_2a_a:F-Ho-Na +mp-1173720,NaHo2F7,-6.492381036,-4.1056114554,0.077697329,0.077697329,GGA,P1,A7B2C_aP10_1_7a_2a_a:F-Ho-Na,10.0,A7B2C_aP10_1_7a_2a_a:F-Ho-Na +mp-1220708,NaHoF4,-6.2532913733,-3.9948163678,0.0005160983,-0.0384630083,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-Ho-Na,6.0,A4BC_tP6_123_i_a_d:F-Ho-Na +mp-675798,NaHoF4,-6.2538074717,-3.9953324661,0.0,-0.0389791067,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:F-Ho-Na,12.0,A4BC_tI24_141_f_a_b:F-Ho-Na +mp-1211001,LiHoF2,-5.15015189,-2.5715794721,0.4998172475,0.4998172475,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Ho-Li,16.0,A2BC_tI32_141_h_c_d:F-Ho-Li +mp-1210003,NaLiHo2F8,-6.3351318383,-4.0277903683,0.0,-0.0140422817,GGA,Cmcm,A8B2CD_oC48_63_2cgh_g_a_c:F-Ho-Li-Na,24.0,"Invalid WP multiplicities - A8B2CD_oC48_63_2cg2h_g_a_c:F-Ho-Li-Na, expected NaLiHo2F12 to be NaLiHo2F8" +mp-1110823,Rb2PrAgI6,-3.286002617,-1.4445298167,0.0667776367,0.0667776367,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-I-Pr-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-I-Pr-Rb +mp-1110870,K2CuMoBr6,-3.922254328,-1.2738718626,0.1037660864,0.1037660864,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Mo,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Mo +mp-1211747,K2Zr6BeCl15,-5.6217909921,-2.0811883071,0.0,-0.0111494097,GGA,Cccm,AB15C2D6_oC96_66_e_cgkl2m_af_lm:Be-Cl-K-Zr,48.0,AB15C2D6_oC96_66_e_cgkl2m_af_lm:Be-Cl-K-Zr +mp-1212143,K2BeCl4,-4.03365596,-2.1258906173,0.0,-0.047985165,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-Cl-K,28.0,AB4C2_oP28_62_c_2cd_2c:Be-Cl-K +mp-1211761,K3Zr6BeCl15,-5.5215931558,-2.0781986204,0.0,-0.0228303769,GGA,C2/c,AB15C3D6_mC100_15_c_a7f_ef_3f:Be-Cl-K-Zr,50.0,AB15C3D6_mC100_15_a_c7f_ef_3f:Be-Cl-K-Zr +mp-1105996,Cs2RhCl5O,-4.1346589744,-1.5408273494,0.0008864588,0.0008864588,GGA,Cmcm,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-O-Rh,18.0,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-O-Rh +mp-1219626,Rh(ClO7)3,-4.4664441884,0.205171043,0.5154789590000001,0.5154789590000001,GGA,R3c,A3B21C_hR150_161_b_7b_a:Cl-O-Rh,50.0,"Invalid WP multiplicities - A3B21C_hR150_161_b_32b_a:Cl-O-Rh, expected Rh(ClO32)3 to be Rh(ClO7)3" +mp-1227402,Ca2IrPtO6,-6.907846696,-2.0477567432,0.0050058793,0.0050058793,GGA,C2/m,A2BC6D_mC20_12_i_a_3i_c:Ca-Ir-O-Pt,10.0,A2BC6D_mC20_12_i_a_3i_d:Ca-Ir-O-Pt +mp-8568,Ca4PtO6,-6.691700555,-2.7122764543,0.0017230908,0.0017230908,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Ca-O-Pt,22.0,A4B6C_hR66_167_ae_f_b:Ca-O-Pt +mp-4784,CaPtO3,-6.575624937,-1.9922650703,0.0105472817,0.0105472817,GGA,Cmcm,AB3C_oC20_63_c_cf_a:Ca-O-Pt,10.0,AB3C_oC20_63_c_cf_a:Ca-O-Pt +mp-558172,Ca(PtO2)2,-6.4238856107,-1.5760825586,0.0974084557,0.0974084557,GGA,P4_2/mmc,AB4C2_tP14_131_c_n_j:Ca-O-Pt,14.0,AB4C2_tP14_131_c_n_j:Ca-O-Pt +mp-730040,CaPtO6,-5.6165390425,-0.8969308591,0.3551982763,0.3551982763,GGA,C2/c,AB6C_mC32_15_e_3f_a:Ca-O-Pt,16.0,"Invalid WP multiplicities - AB6C_mC32_9_a_12a_a:Ca-O-Pt, expected CaPtO12 to be CaPtO6" +mp-1365085,CaPtO6,-5.6268051194,-0.9071969359,0.3449321994,0.3449321994,GGA,P-31c,AB6C_hP16_163_c_i_b:Ca-O-Pt,16.0,"Invalid WP multiplicities - AB6C_mC32_15_e_12f_c:Ca-O-Pt, expected CaPtO24 to be CaPtO6" +mp-8710,Ca2Pt3O8,-6.5559218162,-1.8022210923,0.0,-0.0556822723,GGA,R-3m,A2B8C3_hR39_166_c_ch_d:Ca-O-Pt,13.0,A2B8C3_hR39_166_c_ch_d:Ca-O-Pt +mp-755647,CaPt3O4,-6.405234965,-1.4045156294,0.0597890081,0.0597890081,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Ca-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Ca-O-Pt +mp-1110920,K2AgBiCl6,-3.630772009,-1.6322657103,0.0,-0.0204764915,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-Cl-K +mp-1110856,K2CuSbCl6,-3.713579128,-1.5595565516,0.0371914528,0.0371914528,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sb +mp-1111156,Na2HgRhF6,-4.179476708,-2.0012854453,0.192968133,0.192968133,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Rh +mp-1112155,Cs2RbGaI6,-2.75696886,-1.2930055661,0.0843772348,0.0843772348,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-Rb,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-Rb +mp-1111039,CsRb2GaI6,-2.703300939,-1.230824475,0.1386416848,0.1386416848,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cs-Ga-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Cs-Ga-I-Rb +mp-1238789,CsPb2I5,-3.0914747675,-1.1305337347,0.0376138622,0.0376138622,GGA,I4/mcm,AB5C2_tI32_140_a_cl_h:Cs-I-Pb,16.0,AB5C2_tI32_140_a_cl_h:Cs-I-Pb +mp-1238804,Cs4PbI6,-3.0278275141,-1.5610589088,0.0,-0.0114963223,GGA,R-3c,A4B6C_hR66_167_ae_f_b:Cs-I-Pb,22.0,A4B6C_hR66_167_ae_f_b:Cs-I-Pb +mp-540839,CsPbI3,-3.101759242,-1.2961295436,0.0,-0.0078671851,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cs-I-Pb,20.0,AB3C_oP20_62_c_3c_c:Cs-I-Pb +mp-1120768,CsPbI3,-3.085935925,-1.2803062266,0.015823317,0.0079561319,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cs-I-Pb,20.0,AB3C_oP20_62_c_cd_a:Cs-I-Pb +mp-1069538,CsPbI3,-3.076709898,-1.2710801996,0.025049344,0.0171821589,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-I-Pb,5.0,AB3C_cP5_221_a_c_b:Cs-I-Pb +mp-23053,PbICl,-3.5563920258,-1.2115419992,0.0463512013,0.0463512013,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-I-Pb,12.0,ABC_oP12_62_c_c_c:Cl-I-Pb +mp-2647097,Cs2Pb(ICl)2,-3.4627185886,-1.7273960408,0.0,-0.0097244388,GGA,I4/mmm,A2B2C2D_tI14_139_c_e_e_a:Cl-Cs-I-Pb,14.0,A2B2C2D_tI14_139_c_e_e_a:Cl-Cs-I-Pb +mp-14638,Rb2LiGaF6,-4.9280759605,-3.0913798766,0.0,-0.0276255024,GGA,R-3m,A6BCD2_hR60_166_2h_ab_c_2c:F-Ga-Li-Rb,20.0,A6BCD2_hR60_166_2h_ab_c_2c:F-Ga-Li-Rb +mp-1113732,Rb2LiGaF6,-4.9142827,-3.0775866161,0.0137932605,-0.0138322419,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Rb +mp-1247443,Sr3Nb3N5,-7.97450023,-0.9695120386,0.1816417395,0.1816417395,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Nb-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Nb-Sr +mp-541568,Sr2Li3NbN4,-6.2538930795,-0.9985890548,0.0,-0.0117047108,GGA,Pnnm,A3B4CD2_oP40_58_gh_2gh_g_eg:Li-N-Nb-Sr,40.0,A3B4CD2_oP40_58_gh_2gh_g_eg:Li-N-Nb-Sr +mp-17701,Sr2NbN3,-7.6379015587,-1.2229387718,0.0,-0.1752231666,GGA,C2/c,A3BC2_mC48_15_2e2f_f_2f:N-Nb-Sr,24.0,"Invalid WP multiplicities - A3BC2_mC48_15_2e2f_f_4f:N-Nb-Sr, expected Sr4NbN3 to be Sr2NbN3" +mp-10577,Sr5NbN5,-6.5196784189,-1.044110516,0.0,-0.0672282691,GGA,Pbcm,A5BC5_oP44_57_3de_d_c2de:N-Nb-Sr,44.0,"Invalid WP multiplicities - A5BC5_oP44_57_4de_d_c3de:N-Nb-Sr, expected Sr6NbN6 to be Sr5NbN5" +mp-1246945,Sr3(NbN2)2,-7.4703778794,-0.9573700861,0.1537590356,0.1537590356,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:N-Nb-Sr,18.0,A4B2C3_mC36_15_2f_f_ef:N-Nb-Sr +mp-1245960,Sr3(NbN2)2,-7.4203457264,-0.9073379331,0.2037911886,0.2037911886,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Nb-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Nb-Sr +mp-1245444,Sr3NbN3,-6.724490275,-0.9845945357,0.0636386973,0.0636386973,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Nb-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Nb-Sr +mp-1078950,ReTc(SnO3)2,-7.545910388,-1.4954661773,0.339492002,0.339492002,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Re-Sn-Tc,10.0,A6BC2D_cF40_225_e_a_c_b:O-Re-Sn-Tc +mp-1187400,TcSnO3,-7.34165959,-1.4996042033,0.3306577858,0.3306577858,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sn-Tc,5.0,A3BC_cP5_221_c_a_b:O-Sn-Tc +mp-1179694,RbVCu3Se4,-4.6819636122,-0.6435518274,0.1352022539,0.1352022539,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Rb-Se-V +mp-504727,EuBrO,-8.3441033767,-2.7585304296,0.0,-0.0731065863,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Eu-O,6.0,ABC_tP6_129_c_c_a:Br-Eu-O +mp-1025545,EuBrO2,-7.0981748363,-1.6723229481000002,0.4303122966,0.4303122966,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Br-Eu-O,8.0,ABC2_mP8_11_e_e_2e:Br-Eu-O +mp-559031,Eu4Br6O,-7.6515276418,-2.6249034699,0.0,-0.0418459905,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Br-Eu-O,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_8c_2b3c_b:Br-Eu-O, expected Eu11Br24O to be Eu4Br6O" +mp-1212780,EuBr2O,-6.4605555463,-1.8831187534,0.2069485801,0.2069485801,GGA,Pnma,A2BC_oP16_62_2c_c_c:Br-Eu-O,16.0,A2BC_oP16_62_2c_c_c:Br-Eu-O +mp-605786,Eu2BrO2,-9.501947551,-3.1098656805,0.0,-0.107739406,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Br-Eu-O,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_3i_2i:Br-Eu-O, expected Eu3BrO2 to be Eu2BrO2" +mp-669431,EuBi2BrO4,-7.0842673025,-2.1745468981,0.0,-0.0467986326,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Eu-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Eu-O +mp-540915,Eu3BrO4,-9.5278564512,-3.0140078794,0.0111725773,0.0111725773,GGA,Cmcm,AB3C4_oC32_63_a_cf_2cf:Br-Eu-O,16.0,AB3C4_oC32_63_a_cf_2cf:Br-Eu-O +mp-1209421,RbSm(ClO)4,-4.4556494535,-1.1676472842,0.5866144373000001,0.5866144373000001,GGA,P2_12_12,A4B4CD_oP20_18_2c_2c_a_b:Cl-O-Rb-Sm,20.0,A4B4CD_oP20_18_2c_2c_a_b:Cl-O-Rb-Sm +mp-8314,Cs2NaAsO4,-5.4789043881,-2.0340039772,0.0,-0.0114839802,GGA,P2_1/m,AB2CD4_mP16_11_e_2e_e_2ef:As-Cs-Na-O,16.0,"Invalid WP multiplicities - AB2CD4_mP16_11_e_2e_e_4ef:As-Cs-Na-O, expected Cs2NaAsO6 to be Cs2NaAsO4" +mp-721252,Li10Sn(PSe6)2,-4.0891458662,-1.0540921355,0.0,-0.0168186996,GGA,P1,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-Se-Sn,50.0,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-Se-Sn +mp-705516,Li10Sn(PSe6)2,-4.0769627984,-1.0419090677,0.0121830678,-0.0046356318,GGA,P4_2mc,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-Se-Sn,50.0,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-Se-Sn +mp-675621,Li5SnP3,-3.8396634572,-0.5292086007,0.0129363356,0.0129363356,GGA,C2/c,A5B3C_mC36_15_e2f_af_e:Li-P-Sn,18.0,"Invalid WP multiplicities - A5B3C_mC36_15_2e8f_cf_e:Li-P-Sn, expected Li18SnP3 to be Li5SnP3" +mp-1227487,Ca2MgReO6,-7.6448495355,-2.8712356093,0.0,-0.0089593387,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mg-O-Re,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mg-O-Re +mp-572404,Cs3NdCr3O12,-7.2847437307,-2.2440194415,0.0,-0.0646694399,GGA+U,C2/c,A3B3CD12_mC152_15_3f_ce2f_f_12f:Cr-Cs-Nd-O,76.0,"Invalid WP multiplicities - A3B3CD12_mC152_15_9f_2a2e6f_f_45f:Cr-Cs-Nd-O, expected Cs8NdCr9O45 to be Cs3NdCr3O12" +mp-559944,YbMn4(CuO4)3,-7.2706559955,-1.7783782958,0.0,-0.0051417857,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Yb,,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Yb +mp-13982,CdCu2GeS4,-4.4415052512,-0.6552389484000001,0.0,-0.0056433394,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Cd-Cu-Ge-S,16.0,AB2CD4_oP16_31_a_b_a_2ab:Cd-Cu-Ge-S +mp-1030825,Mg6CdSiO8,-5.9457232625,-2.4755109012,0.4613435625,0.4613435625,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Si, expected Mg6CdSiO12 to be Mg6CdSiO8" +mp-1030850,Mg6CdSiO8,-5.9364842256,-2.4662718644,0.4705825994,0.4705825994,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Si, expected Mg6CdSiO12 to be Mg6CdSiO8" +mp-1039831,Mg30CdSiO32,-6.2283674555,-2.9057010797,0.1190427608,0.1190427608,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Si, expected Mg110CdSiO72 to be Mg30CdSiO32" +mp-1039856,Mg30CdSiO32,-6.229079317,-2.9064129412,0.1183308992,0.1183308992,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Si, expected Mg90CdSiO80 to be Mg30CdSiO32" +mp-1017385,Mg6CdSi,-1.9551212706,0.0386147406,0.131733856,0.131733856,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Si, expected Mg12CdSi to be Mg6CdSi" +mp-1017401,Mg6CdSi,-1.9556499769,0.0380860344,0.1312051498,0.1312051498,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Si, expected Mg12CdSi to be Mg6CdSi" +mp-1026707,Mg14CdSi,-1.7786471762,0.0183608544,0.0787272038,0.0787272038,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Si, expected Mg18CdSi to be Mg14CdSi" +mp-1026704,Mg14CdSi,-1.7912086481,0.0057993825,0.0661657319,0.0661657319,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Si, expected Mg26CdSi to be Mg14CdSi" +mp-1034788,Mg14CdSiO16,-6.1274173684,-2.7555689975,0.2398783841,0.2398783841,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Si, expected Mg18CdSiO20 to be Mg14CdSiO16" +mp-1034777,Mg14CdSiO16,-6.1286208844,-2.7567725134,0.2386748681,0.2386748681,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Si, expected Mg30CdSiO32 to be Mg14CdSiO16" +mp-1226298,CrInCoS4,-5.8815982543,-0.7303341882000001,0.1282417875,0.1282417875,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Co-Cr-In-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h2i:Co-Cr-In-S, expected CrInCoS8 to be CrInCoS4" +mp-1226318,Cr3In(CoS4)2,-6.4155350986,-0.7713164796,0.1156764827,0.1156764827,GGA,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Co-Cr-In-S,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c2h:Co-Cr-In-S, expected Cr3In(CoS8)2 to be Cr3In(CoS4)2" +mp-16735,CrInCo2,-6.45668014,0.1986615575,0.2030581204,0.2030581204,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Cr-In,4.0,A2BC_cF16_225_c_a_b:Co-Cr-In +mp-1228978,AlCdInS4,-4.3905745814,-0.9668676118,0.0993878596,0.0993878596,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Al-Cd-In-S,7.0,ABCD4_hR21_160_a_a_a_4a:Al-Cd-In-S +mp-17835,Sn2Sb2S5,-4.7016686975,-0.5950691948,0.0174041356,0.0174041356,GGA,Pnma,A5B2C2_oP36_62_5c_2c_2c:S-Sb-Sn,36.0,A5B2C2_oP36_62_5c_2c_2c:S-Sb-Sn +mp-1195304,Cs2Sn3(SbS5)2,-4.5921227282,-0.8602391131,0.0,-0.0197964596,GGA,P2_1/c,A2B10C2D3_mP34_14_e_5e_e_ae:Cs-S-Sb-Sn,34.0,A2B10C2D3_mP34_14_e_5e_e_ae:Cs-S-Sb-Sn +mp-1191223,SnSb4S7,-4.6900532904,-0.5666594668,0.0074586485,0.0074586485,GGA,P2_1/m,A7B4C_mP24_11_7e_4e_e:S-Sb-Sn,24.0,A7B4C_mP24_11_7e_4e_e:S-Sb-Sn +mp-29267,Sn5Sb2S9,-4.7066469923,-0.6107775825,0.0391747703,0.0391747703,GGA,Pbca,A9B2C5_oP64_61_a4c_c_b2c:S-Sb-Sn,64.0,"Invalid WP multiplicities - A9B2C5_oP64_61_a7c_c_b2c:S-Sb-Sn, expected Sn5Sb2S15 to be Sn5Sb2S9" +mp-684021,Sn4Sb6S13,-4.6521660176,-0.539725012,0.059407374,0.059407374,GGA,C2/m,A13B6C4_mC92_12_13i_6i_4i:S-Sb-Sn,46.0,"Invalid WP multiplicities - A13B6C4_mC92_12_25i_8i_7i:S-Sb-Sn, expected Sn7Sb8S25 to be Sn4Sb6S13" +mp-1179530,SmInCu,-4.2556357967,-0.3991436183,0.0,-0.0323059348,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-In-Sm,9.0,ABC_hP9_189_ad_g_f:Cu-In-Sm +mp-1219341,Sm2In3Cu,-4.03427924,-0.4023742183,0.0384534383,0.0384534383,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-In-Sm,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-In-Sm +mp-1219253,Sm2In3Cu,-4.0498758217,-0.4179708,0.0228568567,0.0228568567,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-In-Sm,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-In-Sm +mp-1219370,Sm(InCu)6,-3.6506638885,-0.1257463088,0.0171591189,0.0171591189,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Cu-In-Sm,13.0,A6B6C_oI26_71_fk_egh_a:Cu-In-Sm +mp-1206095,SmInCu4,-4.223432225,-0.2455828008,0.0,-0.0286672771,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Sm,6.0,A4BC_cF24_216_e_a_c:Cu-In-Sm +mp-1219150,SmIn7Cu5,-3.5106043577,-0.0893423888,0.0528451624,0.0528451624,GGA,Imm2,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Sm,13.0,A5B7C_oI26_44_ae_a2b2c_b:Cu-In-Sm +mp-1219482,Sm2InCuS5,-5.7333955736,-1.6255831287,0.0140723772,0.0140723772,GGA,Pnma,ABC5D2_oP36_62_c_c_5c_2c:Cu-In-S-Sm,36.0,ABC5D2_oP36_62_c_c_5c_2c:Cu-In-S-Sm +mp-1209644,SmIn2Cu9,-4.0572888808,-0.1310544121,0.0054152963,0.0054152963,GGA,P4/mbm,A9B2C_tP24_127_cjk_g_a:Cu-In-Sm,24.0,A9B2C_tP24_127_cjk_g_a:Cu-In-Sm +mp-21475,SmInCu2,-4.22325782,-0.3060870187,0.0162761908,0.0162761908,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Sm,4.0,A2BC_cF16_225_c_a_b:Cu-In-Sm +mp-1209949,Pr3Sc2(FeO4)3,-8.6714905535,-3.0825913715,0.0,-0.0196487876,GGA+U,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Fe-O-Pr-Sc,80.0,A3B12C3D2_cI160_230_d_h_c_a:Fe-O-Pr-Sc +mp-1216036,Zn3Co4(SbO6)2,-6.429372464,-1.67552632,0.0,-0.0057578263,GGA+U,P-1,A4B12C2D3_aP42_2_be3i_12i_afi_3i:Co-O-Sb-Zn,42.0,"Invalid WP multiplicities - A4B12C2D3_aP42_2_be4i_24i_afi_6i:Co-O-Sb-Zn, expected Zn6Co5(SbO12)2 to be Zn3Co4(SbO6)2" +mp-1042576,ZnCoSb2O7,-6.2757421855,-1.616389016,0.1943471086,0.1943471086,GGA+U,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Co-O-Sb-Zn,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_2e_17e_7e_3e:Co-O-Sb-Zn, expected Zn3Co2Sb7O17 to be ZnCoSb2O7" +mp-1370378,Zn2CoSbO6,-5.933994284,-1.5903004317,0.1313021111,0.1313021111,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Co-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Co-O-Sb-Zn, expected Zn2CoSbO16 to be Zn2CoSbO6" +mp-864666,Nd3SiAgS7,-6.08792287,-1.7948007534,0.0,-0.0280618744,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Nd-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Ag-Nd-S-Si +mp-37449,Nd5AgS8,-6.3799750093,-2.1110541449,0.0214717492,0.0214717492,GGA,I-4,AB5C8_tI28_82_a_cg_2g:Ag-Nd-S,14.0,"Invalid WP multiplicities - AB5C8_tI28_82_a_c2g_6g:Ag-Nd-S, expected Nd9AgS24 to be Nd5AgS8" +mp-22395,KCeSe4,-4.96217965,-1.4576573146,0.0,-0.0073019722,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Ce-K-Se,12.0,ABC4_tP12_125_a_b_m:Ce-K-Se +mp-669330,KCe2CuSe6,-5.3108740235,-1.5057487442,0.0,-0.0252543098,GGA,Fddd,A2BCD6_oF160_70_2e_e_f_3h:Ce-Cu-K-Se,40.0,"Invalid WP multiplicities - A2BCD6_oF160_70_5e_e_f_16h:Ce-Cu-K-Se, expected KCe5CuSe32 to be KCe2CuSe6" +mp-1219640,Rb3I2Br,-3.071248115,-1.8310209071,0.006609975,0.006609975,GGA,Immm,AB2C3_oI12_71_a_e_cf:Br-I-Rb,6.0,"Invalid WP multiplicities - AB2C3_oI12_71_a_e_c2f:Br-I-Rb, expected Rb5I2Br to be Rb3I2Br" +mp-29936,Rb2PdI6,-2.8248404481,-1.0491573308,0.0065140792,0.0065140792,GGA,Pnma,A6BC2_oP36_62_4cd_c_d:I-Pd-Rb,36.0,A6BC2_oP36_62_4cd_c_d:I-Pd-Rb +mp-628606,Rb2PdI6,-2.81455924,-1.0388761228,0.0167952872,0.0167952872,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:I-Pd-Rb,9.0,A6BC2_cF36_225_e_a_c:I-Pd-Rb +mp-567948,Rb2Pd(IBr2)2,-3.0960336111,-1.2849451694,0.0055696624,0.0055696624,GGA,I4/mmm,A4B2CD2_tI18_139_h_e_a_d:Br-I-Pd-Rb,9.0,A4B2CD2_tI18_139_h_e_a_d:Br-I-Pd-Rb +mp-1225924,CsBa2Zn2F9,-5.0534996193,-3.3066317493,0.0329690771,0.0329690771,GGA,R3m,A2BC9D2_hR42_160_2a_a_3b_2a:Ba-Cs-F-Zn,14.0,A2BC9D2_hR42_160_2a_a_3b_2a:Ba-Cs-F-Zn +mp-1113050,Cs2KGaCl6,-3.716746371,-2.0146944036,0.0523539887,0.0523539887,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ga-K +mp-1112321,CsK2GaCl6,-3.615599111,-1.8920474861,0.1756577298,0.1756577298,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Ga-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cs-Ga-K +mp-989575,Cs2AlTlH6,-3.036655143,-0.2111171439,0.0,-0.0656965358,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-Tl +mp-1182242,BaYCu3Se4,-4.82081974,-0.968962854,0.3317208025,0.3317208025,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Ba-Cu-Se-Y,9.0,AB3C4D_cP9_215_a_c_e_b:Ba-Cu-Se-Y +mp-1101801,BaYCuSe3,-5.64560215,-1.8168709573,0.0,-0.0549533192,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-Se-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-Se-Y +mp-1187634,Tm2Pd2O5,-6.9128124933,-2.0189371575,0.6065477003,0.6065477003,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Pd-Tm,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_h_ab:O-Pd-Tm, expected Tm2Pd2O9 to be Tm2Pd2O5" +mp-1209959,NaTm(Pd3O4)2,-6.2277623838,-1.4495648046,0.0,-0.0232509426,GGA,Pm-3,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Tm,16.0,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Tm +mp-22220,LaLuO3,-8.848796716,-3.9893919642,0.0104821323,0.0104821323,GGA,Pnma,ABC3_oP20_62_c_a_cd:La-Lu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_2c2d:La-Lu-O, expected LaLuO6 to be LaLuO3" +mp-1212454,La3Lu2(GaO4)3,-8.0284092704,-3.4136855225,0.0,-0.0247553152,GGA,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ga-La-Lu-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ga-La-Lu-O +mp-1224763,La9Lu11(GaO4)12,-8.0069512924,-3.4077921664,0.0141826556,0.0141826556,GGA,C2,A12B9C11D48_mC160_5_2a2b4c_a2b3c_a5c_24c:Ga-La-Lu-O,80.0,"Invalid WP multiplicities - A12B9C11D48_mC160_5_2a2b4c_a2b3c_a7c_36c:Ga-La-Lu-O, expected La3Lu5(GaO6)4 to be La9Lu11(GaO4)12" +mp-11913,NaPr2IrO6,-7.5669135325,-2.6266232074,0.0,-0.0204558641,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Na-O-Pr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ir-Na-O-Pr +mp-1215111,Ag3Te(AsO7)2,-5.2011544677,-0.6905118342000001,0.2668464,0.2668464,GGA,P2_1,A3B2C14D_mP40_4_3a_2a_14a_a:Ag-As-O-Te,40.0,"Invalid WP multiplicities - A3B2C14D_oC80_20_2a3c_c_21c_a:Ag-As-O-Te, expected Ag8Te(AsO21)2 to be Ag3Te(AsO7)2" +mp-1229256,Ag32Te20As3,-2.9557030984,0.0894835414,0.296776285,0.296776285,GGA,P6/mmm,A32B3C20_hP55_191_eloq_f_ckn:Ag-As-Te,55.0,A32B3C20_hP55_191_eloq_f_ckn:Ag-As-Te +mp-1213679,Er6TeO12,-8.0764019326,-3.3443028122,0.2308172478,0.2308172478,GGA,P-1,A6B12C_aP19_2_3i_6i_a:Er-O-Te,19.0,A6B12C_aP19_2_3i_6i_a:Er-O-Te +mp-559304,Er2Te5O13,-6.6598655783,-2.2019195616,0.0,-0.0138379612,GGA,P-1,A2B13C5_aP40_2_2i_13i_5i:Er-O-Te,40.0,"Invalid WP multiplicities - A2B13C5_aP40_2_4i_25i_10i:Er-O-Te, expected Er4(Te2O5)5 to be Er2Te5O13" +mp-1210989,Li3Er3(TeO6)2,-7.0320561696,-2.778216102,0.0,-0.0259754537,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Er-Li-O-Te,80.0,A3B3C12D2_cI160_230_c_d_h_a:Er-Li-O-Te +mp-1178355,Er2TeO2,-7.771790744,-3.3373665568,0.0,-0.0853921513,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Er-O-Te,5.0,A2B2C_tI10_139_e_d_a:Er-O-Te +mp-754834,Er2TeO2,-7.692898634,-3.2584744468,0.07889211,-0.0065000413,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Er-O-Te,5.0,A2B2C_hP5_164_d_d_a:Er-O-Te +mp-754469,Er2TeO2,-7.700828809,-3.2664046218,0.070961935,-0.0144302163,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_b:Er-O-Te,10.0,A2B2C_hP10_194_f_f_b:Er-O-Te +mp-774557,Er2TeO6,-7.7008424653,-3.0387451563,0.0,-0.1876530647,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Er-O-Te,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Er-O-Te, expected Er5TeO21 to be Er2TeO6" +mp-755001,Er2TeO6,-7.6466189772,-2.9845216682,0.0542234881,-0.1334295767,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Er-O-Te,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Er-O-Te, expected Er2TeO16 to be Er2TeO6" +mp-755376,Er2TeO6,-7.6998667896,-3.0377694806,0.0009756756,-0.1866773891,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Er-O-Te,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_2e2f_8g_ad:Er-O-Te, expected Er4TeO16 to be Er2TeO6" +mp-581795,Er2Te4O11,-6.7880715582,-2.3102929102,0.0007994698,0.0007994698,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Er-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_2e15f_6f:Er-O-Te, expected Er(Te3O8)2 to be Er2Te4O11" +mp-1227805,CaDy2(GeO3)4,-7.5194349637,-2.8314586734,0.0,-0.0001546841,GGA,Cmme,AB2C4D12_oC76_67_c_ae_o_mn2o:Ca-Dy-Ge-O,38.0,"Invalid WP multiplicities - AB2C4D12_oC76_67_c_ae_o_3m2n9o:Ca-Dy-Ge-O, expected CaDy2(Ge2O23)2 to be CaDy2(GeO3)4" +mp-1111963,Cs2RbScF6,-5.61538084,-3.5581126673,0.0,-0.0153384917,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Sc +mp-1111453,CsRb2ScF6,-5.553347261,-3.4875659183,0.064781073,0.064781073,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Sc +mp-1111402,Rb2SbAuF6,-4.425629774,-2.342347255,0.2513354284,0.2513354284,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Sb +mp-1100803,ZrPbO3,-8.260584683,-2.8405019163,0.0360627058,0.0360627058,GGA,Pm,A3BC_mP20_6_2a2b4c_2a2b_2c:O-Pb-Zr,20.0,"Invalid WP multiplicities - A3BC_mP20_6_2a2b6c_2a2b_2c:O-Pb-Zr, expected ZrPbO4 to be ZrPbO3" +mp-647557,ZrPbO3,-8.2666182672,-2.8465355005,0.0300291216,0.0300291216,GGA,Pba2,A3BC_oP40_32_2a2b4c_2c_2c:O-Pb-Zr,40.0,"Invalid WP multiplicities - A3BC_oP40_32_4a4b16c_4c_3c:O-Pb-Zr, expected Zr3(PbO5)4 to be ZrPbO3" +mp-20337,ZrPbO3,-8.264104422,-2.8440216552,0.0325429668,0.0325429668,GGA,Amm2,A3BC_oC10_38_ae_a_b:O-Pb-Zr,5.0,A3BC_oC10_38_ae_a_b:O-Pb-Zr +mp-542903,ZrPbO3,-8.271159751,-2.8510769843,0.0254876378,0.0254876378,GGA,Pbam,A3BC_oP40_55_efghi_gh_i:O-Pb-Zr,40.0,A3BC_oP40_55_efghi_gh_i:O-Pb-Zr +mp-755798,ZrPbO3,-8.2620602365,-2.8419774697,0.0345871523,0.0345871523,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Pb-Zr,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Pb-Zr, expected ZrPbO7 to be ZrPbO3" +mp-1068577,ZrPbO3,-8.214781556,-2.7946987892,0.0818658328,0.0818658328,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Zr,5.0,A3BC_cP5_221_c_a_b:O-Pb-Zr +mp-1100817,Zr2Pb2O5,-8.0628580381,-2.5901759318,0.2794041752,0.2794041752,GGA,P2_1/c,A5B2C2_mP36_14_5e_2e_2e:O-Pb-Zr,36.0,"Invalid WP multiplicities - A5B2C2_mP36_14_18e_8e_7e:O-Pb-Zr, expected Zr7(Pb4O9)2 to be Zr2Pb2O5" +mp-1227884,CaZr2PbO6,-8.4849858153,-3.2356077675,0.0381437664,0.0381437664,GGA,P1,AB6CD2_aP40_1_4a_24a_4a_8a:Ca-O-Pb-Zr,40.0,AB6CD2_aP40_1_4a_24a_4a_8a:Ca-O-Pb-Zr +mp-1100818,ZrPbO5,-6.7449623143,-1.460134992,0.7319912273,0.7319912273,GGA,P1,A5BC_aP28_1_20a_4a_4a:O-Pb-Zr,28.0,A5BC_aP28_1_20a_4a_4a:O-Pb-Zr +mp-1228065,CaZr4(PbO4)3,-8.3807767175,-3.0460463102,0.0291117677,0.0291117677,GGA,P1,AB12C3D4_aP20_1_a_12a_3a_4a:Ca-O-Pb-Zr,40.0,"Invalid WP multiplicities - AB12C3D4_aP20_1_a_24a_6a_7a:Ca-O-Pb-Zr, expected CaZr7(PbO4)6 to be CaZr4(PbO4)3" +mp-1100808,Zr2PbO6,-8.3218688206,-2.7120709764,0.2644047333,0.2644047333,GGA,Pmc2_1,A6BC2_oP36_26_2a2b4c_ab_2c:O-Pb-Zr,36.0,"Invalid WP multiplicities - A6BC2_oP36_26_4a4b11c_2a2b_4c:O-Pb-Zr, expected Zr4Pb2O15 to be Zr2PbO6" +mp-1100830,Zr(PbO3)2,-6.9949077828,-1.9223381119,0.2161473567,0.2161473567,GGA,P2_1,A6B2C_mP36_4_12a_4a_2a:O-Pb-Zr,36.0,A6B2C_mP36_4_24a_8a_4a:O-Pb-Zr +mp-1213706,Cs2Pb2O3,-4.9639914629,-1.5273964603,0.0,-0.0453858173,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Cs-O-Pb,14.0,A2B3C2_cI28_199_a_b_a:Cs-O-Pb +mp-1199752,Cs4PbO3,-4.1392942016,-1.3725038651,0.0027225809,0.0027225809,GGA,P2_1,A4B3C_mP32_4_8a_6a_2a:Cs-O-Pb,32.0,A4B3C_mP32_4_8a_6a_2a:Cs-O-Pb +mp-21521,Cs2PbO3,-4.9320781242,-1.5414917995,0.0,-0.0852329921,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Cs-O-Pb,12.0,A2B3C_oC24_36_b_ab_a:Cs-O-Pb +mp-21283,Cs2PbO3,-4.93165036,-1.5410640354,0.0004277642,-0.0848052279,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-O-Pb,12.0,A2B3C_oC24_63_g_ce_c:Cs-O-Pb +mp-1185545,CsPbO3,-5.014652548,-1.1250294328,0.2079045023,0.2079045023,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Pb,5.0,AB3C_cP5_221_a_c_b:Cs-O-Pb +mp-542099,Cs4PbO4,-4.5171812678,-1.5081800007,0.0,-0.0841674317,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Cs-O-Pb,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_12e_11e_e:Cs-O-Pb, expected Cs12PbO11 to be Cs4PbO4" +mp-505396,CsNa3PbO4,-4.7512249064,-1.5998493322,0.0,-0.0147301144,GGA,P-1,AB3C4D_aP36_2_2i_6i_8i_2i:Cs-Na-O-Pb,36.0,AB3C4D_aP36_2_2i_6i_8i_2i:Cs-Na-O-Pb +mp-562263,Cs2PbO2,-4.566295696,-1.4869298487,0.0,-0.0421427725,GGA,P-1,A2B2C_aP20_2_4i_4i_2i:Cs-O-Pb,20.0,"Invalid WP multiplicities - A2B2C_aP20_2_8i_7i_3i:Cs-O-Pb, expected Cs8Pb3O7 to be Cs2PbO2" +mp-554605,Rb2SbCl3F2,-4.226171435,-2.2938417725,0.0,-0.0374325318,GGA,P-1,A3B2C2D_aP24_2_b4i_3i_3i_di:Cl-F-Rb-Sb,24.0,"Invalid WP multiplicities - A3B2C2D_aP24_2_b7i_5i_6i_di:Cl-F-Rb-Sb, expected Rb12Sb3(Cl3F2)5 to be Rb2SbCl3F2" +mp-1209287,RbSbClF3,-4.6885638798,-2.573145734,0.0097452528,0.0097452528,GGA,Pbca,AB3CD_oP48_61_c_3c_c_c:Cl-F-Rb-Sb,48.0,AB3CD_oP48_61_c_3c_c_c:Cl-F-Rb-Sb +mp-1208760,Sr2ScNbO6,-8.4507531375,-3.5014638056000003,0.0,-0.0443970816,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Nb-O-Sc-Sr,20.0,AB6CD2_mP20_14_a_3e_d_e:Nb-O-Sc-Sr +mp-1220373,NbIn(PbO3)2,-7.10578239,-2.1099408723,0.0859560017,0.0859560017,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:In-Nb-O-Pb,10.0,ABC6D2_cF40_225_a_b_e_c:In-Nb-O-Pb +mp-556429,Ag2Mo3SeO12,-7.1657851907,-1.5514386157,0.0,-0.0065973413,GGA+U,P2_1/c,A2B3C12D_mP72_14_2e_3e_12e_e:Ag-Mo-O-Se,72.0,"Invalid WP multiplicities - A2B3C12D_mP72_14_5e_9e_46e_e:Ag-Mo-O-Se, expected Ag5Mo9SeO46 to be Ag2Mo3SeO12" +mp-558550,Ag4Mo2Se3O16,-6.1359531049000005,-1.229701983,0.0,-0.0024034824,GGA+U,Pbcm,A4B2C16D3_oP100_57_2de_e_cd7e_de:Ag-Mo-O-Se,100.0,"Invalid WP multiplicities - A4B2C16D3_oP100_57_7d5e_e_4c3d50e_2d2e:Ag-Mo-O-Se, expected Ag17Mo2Se6O107 to be Ag4Mo2Se3O16" +mp-1096276,Ba2MgCd,-0.3477865175,1.242493405,1.4406021503,1.4406021503,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cd-Mg,4.0,A2BC_oI8_71_e_a_b:Ba-Cd-Mg +mp-1016549,BaMg6Cd,-1.5040581681,0.0513849569,0.1535824252,0.1535824252,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Cd-Mg, expected BaMg12Cd to be BaMg6Cd" +mp-1016582,BaMg6Cd,-1.4960808975,0.0593622275,0.1615596958,0.1615596958,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Cd-Mg, expected BaMg12Cd to be BaMg6Cd" +mp-1026533,BaMg14Cd,-1.5297574938,0.0481040937,0.1126780076,0.1126780076,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Cd-Mg, expected BaMg18Cd to be BaMg14Cd" +mp-1026503,BaMg14Cd,-1.5214253194,0.0564362681,0.121010182,0.121010182,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Cd-Mg, expected BaMg26Cd to be BaMg14Cd" +mp-1033867,BaMg14CdO16,-5.9799334137,-2.7176582644,0.2229533527,0.2229533527,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Cd-Mg-O, expected BaMg18CdO20 to be BaMg14CdO16" +mp-1033825,BaMg14CdO16,-5.9984904669,-2.7362153175,0.2043962996,0.2043962996,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Cd-Mg-O, expected BaMg30CdO32 to be BaMg14CdO16" +mp-1033365,BaMg6CdO8,-5.6509611381,-2.39989522,0.4272877148,0.4272877148,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Cd-Mg-O, expected BaMg6CdO12 to be BaMg6CdO8" +mp-1033419,BaMg6CdO8,-5.7296823294,-2.4786164112,0.3485665236,0.3485665236,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Cd-Mg-O, expected BaMg6CdO12 to be BaMg6CdO8" +mp-1038611,BaMg30CdO32,-6.1726205091,-2.9047407441,0.0925852142,0.0925852142,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Cd-Mg-O, expected BaMg110CdO72 to be BaMg30CdO32" +mp-1038612,BaMg30CdO32,-6.1644630848,-2.8965833198,0.1007426384,0.1007426384,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Cd-Mg-O, expected BaMg90CdO80 to be BaMg30CdO32" +mp-1223079,Nd4Ti3Fe25B2,-7.9546365754,-0.0761548233,0.0670015534,0.0670015534,GGA,Cmm2,A2B25C4D3_oC136_35_de_2c3d4e8f_2d2e_2a2bd:B-Fe-Nd-Ti,68.0,"Invalid WP multiplicities - A2B25C4D3_oC136_35_de_4c3d4e16f_2d2e_2a2bd:B-Fe-Nd-Ti, expected Nd4Ti3Fe43B2 to be Nd4Ti3Fe25B2" +mp-1028068,Mg14MnMo,-2.5068384244,0.143885707,0.1562161295,0.1562161295,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Mo,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Mo, expected Mg18MnMo to be Mg14MnMo" +mp-1028059,Mg14MnMo,-2.4925563731,0.1581677583,0.1704981808,0.1704981808,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Mo,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Mo, expected Mg26MnMo to be Mg14MnMo" +mp-1022947,Mg6MnMo,-3.4173980763,0.2837701365,0.2943390701,0.2943390701,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Mo,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Mo, expected Mg12MnMo to be Mg6MnMo" +mp-1022954,Mg6MnMo,-3.457621475,0.2435467378,0.2541156714,0.2541156714,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Mo,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Mo, expected Mg12MnMo to be Mg6MnMo" +mp-1247108,Mg2MnMo3S8,-6.4887057529,-0.9179111345,0.333818338,0.333818338,GGA,R-3m,A2BC3D8_hR42_166_c_a_d_ch:Mg-Mn-Mo-S,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_166_c_a_d_2c3h:Mg-Mn-Mo-S, expected Mg2MnMo3S22 to be Mg2MnMo3S8" +mp-1246428,Mg2Mn3MoS8,-6.337221885,-1.0069465263,0.1496710129,0.1496710129,GGA,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Mg-Mn-Mo-S,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c2h:Mg-Mn-Mo-S, expected Mg2Mn3MoS16 to be Mg2Mn3MoS8" +mp-1246769,MgMnMoS4,-6.418116565,-0.9675815765,0.2559006014,0.2559006014,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Mg-Mn-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_3h3i:Mg-Mn-Mo-S, expected MgMnMoS12 to be MgMnMoS4" +mp-2217831,MgNb2(SBr)4,-5.3715095109,-1.3205274275,0.1606329423,0.1606329423,GGA,P1,A4BC2D4_aP11_1_4a_a_2a_4a:Br-Mg-Nb-S,11.0,A4BC2D4_aP11_1_4a_a_2a_4a:Br-Mg-Nb-S +mp-2240954,MgNb2(SBr)4,-5.2483060482,-1.1973239648,0.283836405,0.283836405,GGA,P-1,A4BC2D4_aP11_2_2i_a_i_2i:Br-Mg-Nb-S,11.0,A4BC2D4_aP11_2_2i_a_i_2i:Br-Mg-Nb-S +mp-2241507,MgNb2(SBr)4,-5.2457228627,-1.1947407793,0.2864195905,0.2864195905,GGA,C2,A4BC2D4_mC22_5_2c_a_2b_2c:Br-Mg-Nb-S,11.0,"Invalid WP multiplicities - A4BC2D4_mC22_5_3c_a_2b_2c:Br-Mg-Nb-S, expected MgNb2(S2Br3)2 to be MgNb2(SBr)4" +mp-1046377,Zn4Sn5(TeO6)3,-5.7515546447,-1.6329830381,0.2065302144,0.2065302144,GGA,C2,A18B5C3D4_mC120_5_18c_ab4c_3c_4c:O-Sn-Te-Zn,60.0,"Invalid WP multiplicities - A18B5C3D4_mC120_5_36c_ab8c_4c_7c:O-Sn-Te-Zn, expected Zn7Sn9(TeO9)4 to be Zn4Sn5(TeO6)3" +mp-10834,RbNd2CuS4,-5.76692491,-1.8716955256,0.0,-0.0235204828,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Nd-Rb-S,16.0,AB2CD4_oC32_63_c_f_c_acf:Cu-Nd-Rb-S +mp-1047199,CaMoAsO5,-7.4912982881,-2.2108217942,0.1260535944,0.1260535944,GGA+U,P1,ABCD5_aP32_1_4a_4a_4a_20a:As-Ca-Mo-O,32.0,ABCD5_aP32_1_4a_4a_4a_20a:As-Ca-Mo-O +mp-1539400,Sr2TaCrO6,-8.684394412,-3.2273999846,0.0,-0.0441387793,GGA+U,C2/m,AB6C2D_mC20_12_a_ij_i_d:Cr-O-Sr-Ta,10.0,"Invalid WP multiplicities - AB6C2D_mC20_12_a_i2j_i_d:Cr-O-Sr-Ta, expected Sr2TaCrO10 to be Sr2TaCrO6" +mp-31624,Sr2TaCrO6,-8.6813698117,-3.2243753843,0.0030246003,-0.0411141791,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Ta,40.0,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Ta +mp-755288,LiFeCuS2,-5.283225426,-0.7330153299000001,0.124131092,0.124131092,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Li-S,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Li-S +mp-1289222,Mg2FeIrO6,-7.023169304,-2.0042545283,0.0358444052,0.0358444052,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Fe-Ir-Mg-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_10e:Fe-Ir-Mg-O, expected Mg2FeIrO20 to be Mg2FeIrO6" +mp-1195178,Ba5LaSi6,-4.3706225404,-0.4470567083,0.0,-0.0026436896,GGA,Pnma,A5BC6_oP48_62_5c_c_6c:Ba-La-Si,48.0,A5BC6_oP48_62_5c_c_6c:Ba-La-Si +mp-1228069,BaLa2(SiS4)2,-6.1559388912,-1.8687678031,0.0,-0.0275318538,GGA,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Ba-La-S-Si,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_4a_14a_2a:Ba-La-S-Si, expected BaLa4(SiS7)2 to be BaLa2(SiS4)2" +mp-1078225,BaLaSi2,-4.9876840475,-0.5612795213,0.0,-0.0069187363,GGA,Cmcm,ABC2_oC16_63_c_c_f:Ba-La-Si,8.0,ABC2_oC16_63_c_c_f:Ba-La-Si +mp-1203385,Lu10Mn13C18,-8.4062854998,-0.3469761617,0.0,-0.0662532173,GGA,I-43m,A18B10C13_cI82_217_eg_cd_ag:C-Lu-Mn,41.0,A18B10C13_cI82_217_eg_cd_ag:C-Lu-Mn +mp-1205785,LuMn2SiC,-8.010712173,-0.5109192477,0.0,-0.0590584352,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Lu-Mn-Si,,ABC2D_oC20_63_a_c_f_c:C-Lu-Mn-Si +mp-1211163,Lu2Mn17C3,-8.8508524145,-0.1016634381,0.0095398446,0.0095398446,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Lu-Mn,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Lu-Mn +mp-1211114,Lu12(MnC3)5,-7.8451777619,-0.3923194779,0.0,-0.0298413921,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Lu-Mn,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Lu-Mn +mp-1095716,ZrTiZn2,-2.063589305,2.6770806617,2.9210952644,2.9210952644,GGA,Immm,AB2C_oI8_71_a_e_b:Ti-Zn-Zr,4.0,AB2C_oI8_71_a_e_b:Ti-Zn-Zr +mp-1016883,ZrZnO3,-7.176823658,-2.2473215832,0.7579720910000001,0.7579720910000001,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Zn-Zr,5.0,A3BC_cP5_221_c_a_b:O-Zn-Zr +mp-1215394,Zr3TiZn8,-3.9084818342,-0.2737699353,0.0062484654,0.0062484654,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Ti-Zn-Zr,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Ti-Zn-Zr, expected Zr3TiZn20 to be Zr3TiZn8" +mp-1215235,ZrTiZn4O8,-6.8705709071,-2.5094511374,0.0834169622,0.0834169622,GGA,C2/m,A8BC4D_mC28_12_2ij_c_ei_a:O-Ti-Zn-Zr,14.0,"Invalid WP multiplicities - A8BC4D_mC28_12_4i2j_c_ei_a:O-Ti-Zn-Zr, expected ZrTiZn4O16 to be ZrTiZn4O8" +mp-1047811,Be3Si3(MoO6)2,-8.170949452,-2.74366158,0.114795352,0.114795352,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Mo-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Mo-O-Si, expected Be4Si3Mo2O17 to be Be3Si3(MoO6)2" +mp-561423,ZrTlCdF7,-5.73104237,-3.2096837391,0.0,-0.0214287673,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_a_c:Cd-F-Tl-Zr,20.0,"Invalid WP multiplicities - AB7CD_oC40_63_c_c3f5g_a_c:Cd-F-Tl-Zr, expected ZrTlCdF17 to be ZrTlCdF7" +mp-771746,Cr11Ni40Mo9,-7.2825464294,-0.0325490901,0.0314401153,0.0314401153,GGA,P1,A11B9C40_aP120_1_22a_18a_80a:Cr-Mo-Ni,120.0,A11B9C40_aP120_1_22a_18a_80a:Cr-Mo-Ni +mp-766580,Cr11Ni40Mo9,-7.2874072815,-0.0374099422,0.0265792632,0.0265792632,GGA,P1,A11B9C40_aP60_1_11a_9a_40a:Cr-Mo-Ni,60.0,A11B9C40_aP60_1_11a_9a_40a:Cr-Mo-Ni +mp-767372,Cr8Ni50Mo15W2,-7.4540764501,-0.0563134385,0.0275352793,0.0275352793,GGA,P1,A8B15C50D2_aP75_1_8a_15a_50a_2a:Cr-Mo-Ni-W,75.0,A8B15C50D2_aP75_1_8a_15a_50a_2a:Cr-Mo-Ni-W +mp-766895,Cr8Ni50Mo17,-7.3972073659,-0.0557771575,0.0269211781,0.0269211781,GGA,P1,A8B17C50_aP75_1_8a_17a_50a:Cr-Mo-Ni,75.0,A8B17C50_aP75_1_8a_17a_50a:Cr-Mo-Ni +mp-768498,Cr7Ni20Mo3,-7.223949696,-0.0335824887,0.0152276427,0.0152276427,GGA,P1,A7B3C20_aP60_1_14a_6a_40a:Cr-Mo-Ni,60.0,A7B3C20_aP60_1_14a_6a_40a:Cr-Mo-Ni +mp-768654,Cr7Ni20Mo3,-7.2170062453,-0.026639038,0.0221710933,0.0221710933,GGA,P1,A7B3C20_aP90_1_21a_9a_60a:Cr-Mo-Ni,90.0,A7B3C20_aP90_1_21a_9a_60a:Cr-Mo-Ni +mp-1095987,CrMoW2,-6.8948187475000005,4.7089207625,4.7118057425,4.7118057425,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mo-W,4.0,ABC2_oI8_71_a_b_e:Cr-Mo-W +mp-767825,Cr22Ni50Mo3,-7.1433158487,-0.0245047997,0.0060904428,0.0060904428,GGA,P1,A22B3C50_aP75_1_22a_3a_50a:Cr-Mo-Ni,75.0,A22B3C50_aP75_1_22a_3a_50a:Cr-Mo-Ni +mp-1104198,Cu(NCl2)2,-2.9787332614,1.0450300471,1.4379485443,1.4379485443,GGA,Cmce,A4BC2_oC28_64_df_a_d:Cl-Cu-N,14.0,A4BC2_oC28_64_df_a_d:Cl-Cu-N +mp-1147599,La2Cu(NCl)2,-6.5691046,-1.6632068786,0.0980606076,0.0980606076,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_e_c:Cl-Cu-La-N,,A2BC2D2_tI14_139_e_a_e_c:Cl-Cu-La-N +mp-1213500,LaN2Cl5,-5.3151064425,-1.4586464106,0.0,-0.0250299681,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-La-N,32.0,A5BC2_oP32_62_3cd_c_d:Cl-La-N +mp-1079782,Cu(N3Cl)2,-3.4450857844,2.9788308311,3.2844341067,3.2844341067,GGA,I4/mmm,A2BC6_tI18_139_d_a_eh:Cl-Cu-N,9.0,A2BC6_tI18_139_d_a_eh:Cl-Cu-N +mp-1105578,CuNCl3,-3.1761041915,0.4201581235,0.9702440195,0.9702440195,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:Cl-Cu-N,20.0,A3BC_mP20_14_3e_e_e:Cl-Cu-N +mp-1194379,Cu2N5Cl8,-3.346010754,0.9652679957,1.3319919263,1.3319919263,GGA,I4/mcm,A8B2C5_tI60_140_fhl_bc_al:Cl-Cu-N,30.0,A8B2C5_tI60_140_fhl_bc_al:Cl-Cu-N +mp-1103604,La2NCl3,-6.5408146358,-2.5817947833,0.0,-0.1698828758,GGA,Ibam,A3B2C_oI24_72_aj_j_b:Cl-La-N,12.0,A3B2C_oI24_72_aj_j_b:Cl-La-N +mp-1220826,NaLaF4,-6.3087729233,-3.9913648786,0.0,-0.0170662494,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-La-Na,18.0,A4BC_aP18_1_12a_3a_3a:F-La-Na +mp-1246093,NaCaLaF6,-6.2544733333,-4.0619171018,0.0070865156,0.0070865156,GGA,P3,AB6CD_hP9_143_a_2d_b_c:Ca-F-La-Na,9.0,AB6CD_hP9_143_a_2d_b_c:Ca-F-La-Na +mp-676459,Ca2LaF7,-6.480949023,-4.2481930592,0.0832520643,0.0832520643,GGA,Cm,A2B7C_mC20_8_2a_7a_a:Ca-F-La,10.0,A2B7C_mC20_8_2a_7a_a:Ca-F-La +mp-1213677,CsLa6FeI10,-4.5073625185,-1.5231886456,0.0,-0.0099653733,GGA,Pnma,ABC10D6_oP72_62_c_c_2c4d_2c2d:Cs-Fe-I-La,72.0,ABC10D6_oP72_62_c_c_2c4d_2c2d:Cs-Fe-I-La +mp-568620,CsFeI4,-3.5183757804,-0.9752276167,0.0,-0.1034033773,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Cs-Fe-I,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Cs-Fe-I, expected CsFeI13 to be CsFeI4" +mp-570039,La12Fe2I17,-4.7139764287,-1.4488359245,0.0,-0.0277941542,GGA,P-1,A2B17C12_aP31_2_i_a8i_6i:Fe-I-La,31.0,"Invalid WP multiplicities - A2B17C12_aP31_2_i_a15i_11i:Fe-I-La, expected La22Fe2I31 to be La12Fe2I17" +mp-30223,La2Fe2I,-6.23563653,-0.578551934,0.0,-0.0501529498,GGA,P6_3/mmc,A2BC2_hP10_194_f_c_e:Fe-I-La,10.0,A2BC2_hP10_194_f_c_e:Fe-I-La +mp-1222537,LiZr5TlF22,-6.9101882847,-3.8390639244,0.0,-0.0079073265,GGA,Pnc2,A22BCD5_oP58_30_11c_a_a_b2c:F-Li-Tl-Zr,58.0,"Invalid WP multiplicities - A22BCD5_oP58_30_28c_a_a_b7c:F-Li-Tl-Zr, expected LiZr15TlF56 to be LiZr5TlF22" +mp-1111204,K2RbTmCl6,-4.285035662,-2.408196927,0.0903212174,0.0903212174,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Tm +mp-1114032,KRb2TmCl6,-4.339131956,-2.4752797085,0.0276851553,0.0276851553,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tm +mp-1110598,Rb2TlAgF6,-4.211534655,-2.349020545,0.0,-0.0185377634,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Tl +mp-569287,TlPAuSe3,-4.0307121367,-0.4411184556,0.002435843,0.002435843,GGA,C2/m,ABC3D_mC24_12_g_i_ij_i:Au-P-Se-Tl,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_g_i_2i2j_i:Au-P-Se-Tl, expected TlPAuSe6 to be TlPAuSe3" +mp-1106106,Tl4AuSe3,-3.2104888325,-0.308965205,0.1507044726,0.1507044726,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Au-Se-Tl,16.0,AB3C4_tI32_140_c_ah_l:Au-Se-Tl +mp-1179487,Ta6Hg(Br8O9)2,-5.1003033999,-0.5798351992,1.2192112564,1.2192112564,GGA,Fd-3m,A16BC18D6_cF328_227_eg_a_fg_f:Br-Hg-O-Ta,82.0,A16BC18D6_cF328_227_eg_a_fg_f:Br-Hg-O-Ta +mp-1207040,Ba2InOsO6,-7.070979681,-2.3212663503,0.0,-0.0040202075,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Os,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Os +mp-1210181,Nd(NiO2)2,-6.9835621286,-1.8242513232,0.2568334382,0.2568334382,GGA+U,Cmce,AB2C4_oC28_64_a_f_ef:Nd-Ni-O,14.0,AB2C4_oC28_64_a_f_ef:Nd-Ni-O +mp-18738,Nd4Ni3O8,-7.670308591299999,-2.604541294,0.2419915703,0.2419915703,GGA+U,I4/mmm,A4B3C8_tI30_139_2e_ae_cdg:Nd-Ni-O,15.0,A4B3C8_tI30_139_2e_ae_cdg:Nd-Ni-O +mp-31063,NdNiO2,-7.3953349675,-2.2849195837,0.3837049766,0.3837049766,GGA+U,P4/mmm,ABC2_tP4_123_a_d_e:Nd-Ni-O,4.0,ABC2_tP4_123_a_d_e:Nd-Ni-O +mp-22106,NdNiO3,-7.5037001365,-2.4260300873,0.0,-0.0390253179,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Nd-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Nd-Ni-O +mp-1209936,Nd2NiPtO6,-7.594888089,-2.4881183757,0.0,-0.0066089336,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Nd-Ni-O-Pt,20.0,A2BC6D_mP20_14_e_a_3e_b:Nd-Ni-O-Pt +mp-18737,Nd2NiO4,-7.9906011021,-2.9758601893,0.0739964511,0.0739964511,GGA+U,Cmce,A2BC4_oC28_64_f_a_ef:Nd-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oC28_64_f_a_4e4f:Nd-Ni-O, expected Nd2NiO16 to be Nd2NiO4" +mp-765406,Nd2NiO4,-7.94847714,-2.9337362271,0.1161204132,0.1161204132,GGA+U,Immm,A2BC4_oI14_71_f_c_abe:Nd-Ni-O,7.0,"Invalid WP multiplicities - A2BC4_oI14_71_f_c_ab2e:Nd-Ni-O, expected Nd2NiO6 to be Nd2NiO4" +mp-505052,Nd2NiO4,-7.9943118679,-2.979570955,0.0702856854,0.0702856854,GGA+U,P4_2/ncm,A2BC4_tP28_138_i_c_aei:Nd-Ni-O,28.0,A2BC4_tP28_138_i_c_aei:Nd-Ni-O +mp-19191,Nd2NiO4,-7.9594759171,-2.9447350043,0.1051216361,0.1051216361,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_ce:Nd-Ni-O,7.0,A2BC4_tI14_139_e_a_ce:Nd-Ni-O +mp-753278,Nd2NiO4,-7.8575618557,-2.8428209429,0.2070356975,0.2070356975,GGA+U,I4/mmm,A2BC4_tI14_139_e_a_cd:Nd-Ni-O,7.0,"Invalid WP multiplicities - A2BC4_tI14_139_e_a_2c2d:Nd-Ni-O, expected Nd2NiO8 to be Nd2NiO4" +mp-555135,Nd4Ni3O10,-7.7162275912,-2.6644695393,0.0184303051,0.0184303051,GGA+U,P2_1/c,A4B3C10_mP34_14_2e_ae_5e:Nd-Ni-O,68.0,"Invalid WP multiplicities - A4B3C10_mP68_14_13e_2a2b6e_34e:Nd-Ni-O, expected Nd13(Ni4O17)2 to be Nd4Ni3O10" +mp-1355585,Nd4Ni3O10,-7.4980622574,-2.4463042054,0.236595639,0.236595639,GGA+U,P2_1/c,A4B3C10_mP34_14_2e_ae_5e:Nd-Ni-O,34.0,"Invalid WP multiplicities - A4B3C10_mP34_14_5e_2a2e_13e:Nd-Ni-O, expected Nd5Ni3O13 to be Nd4Ni3O10" +mp-1099279,SrMg6Fe,-2.2376668025,0.2324825679,0.280717425,0.280717425,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Sr,8.0,AB6C_oC16_38_a_abde_b:Fe-Mg-Sr +mp-1099280,SrMg6Fe,-2.227950725,0.2421986454,0.2904335025,0.2904335025,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:Fe-Mg-Sr +mp-643004,SrMg2FeH8,-3.8675328608,-0.4923759339,0.0,-0.023624049,GGA,P-3m1,AB8C2D_hP12_164_a_di_d_b:Fe-H-Mg-Sr,12.0,AB8C2D_hP12_164_a_di_d_b:Fe-H-Mg-Sr +mp-1099092,SrMg14Fe,-1.9087025862,0.126512124,0.161229059,0.161229059,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Sr, expected SrMg18Fe to be SrMg14Fe" +mp-1027865,SrMg14Fe,-1.8555688169,0.1796458933,0.2143628284,0.2143628284,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Sr, expected SrMg26Fe to be SrMg14Fe" +mp-1078746,Sr2FeH6,-4.1990363811,-0.6206625604,0.0,-0.1703589022,GGA,Fm-3m,AB6C2_cF36_225_a_e_c:Fe-H-Sr,9.0,AB6C2_cF36_225_a_e_c:Fe-H-Sr +mp-865972,KTm2Cu3Se5,-4.9427806736,-1.3210309289,0.0,-0.015664733,GGA,Cmcm,A3BC5D2_oC44_63_cf_c_c2f_f:Cu-K-Se-Tm,22.0,A3BC5D2_oC44_63_cf_c_c2f_f:Cu-K-Se-Tm +mp-1228908,Al2CoRu,-6.6072013675,-0.6387333687,0.018946545,0.00374037,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Al-Co-Ru,4.0,A2BC_tP4_123_h_a_b:Al-Co-Ru +mp-862695,Al2CoRu,-6.6261479125000005,-0.6576799137,0.0,-0.015206175,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Co-Ru,4.0,A2BC_cF16_225_c_a_b:Al-Co-Ru +mp-1216771,U3Al3CoRu2,-8.2238417256,-0.3607216817,0.0928586369,0.0928586369,GGA,P-62m,A3BC2D3_hP9_189_f_b_c_g:Al-Co-Ru-U,9.0,A3BC2D3_hP9_189_f_b_c_g:Al-Co-Ru-U +mp-1209351,Pr2ZnPtO6,-7.2197265885,-2.5624445177,0.0,-0.0553043614,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Pr-Pt-Zn,20.0,A6B2CD_mP20_14_3e_e_a_b:O-Pr-Pt-Zn +mp-1192694,RbU3TiTe9,-6.0906813,-1.0163949315,0.0,-0.0285060267,GGA,P2_1/m,AB9CD3_mP28_11_e_5e2f_a_3e:Rb-Te-Ti-U,28.0,AB9CD3_mP28_11_e_5e2f_a_3e:Rb-Te-Ti-U +mp-1209363,Rb2UTe3,-4.9065094158,-1.12611011,0.0,-0.0777275025,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Rb-Te-U,12.0,A2B3C_mC24_12_acg_ij_h:Rb-Te-U +mp-1208720,SrTiF5,-6.6152757455,-3.8806499873,0.0312033002,0.0312033002,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Sr-Ti,56.0,A5BC_mP56_14_10e_2e_2e:F-Sr-Ti +mp-1210124,NaSrTiF6,-6.19024832,-3.703983368,0.0092904767,0.0092904767,GGA,P2_12_12_1,A6BCD_oP36_19_6a_a_a_a:F-Na-Sr-Ti,36.0,A6BCD_oP36_19_6a_a_a_a:F-Na-Sr-Ti +mp-1218398,SrBi3Cl3O4,-5.5129256236,-2.0089869265,0.0286563714,0.0286563714,GGA,I4mm,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-Cl-O-Sr,11.0,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-Cl-O-Sr +mp-558642,Sr3Bi(ClO)3,-5.6763578262,-2.7468932659,0.0,-0.0343604174,GGA,Pnma,AB3C3D3_oP40_62_c_cd_cd_cd:Bi-Cl-O-Sr,40.0,"Invalid WP multiplicities - AB3C3D3_oP40_62_c_4c4d_2c3d_3c3d:Bi-Cl-O-Sr, expected Sr9Bi(Cl3O2)4 to be Sr3Bi(ClO)3" +mp-547244,SrBiClO2,-5.881971085,-2.4275917518,0.0,-0.0422266868,GGA,Cmcm,ABC2D_oC20_63_c_c_e_c:Bi-Cl-O-Sr,10.0,ABC2D_oC20_63_c_c_e_c:Bi-Cl-O-Sr +mp-1217464,TbTiFe11N,-8.3462378679,-0.2007674142,0.1222208657,0.1222208657,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Tb-Ti,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Tb-Ti +mp-1103816,BaGaH5,-3.4950386179,-0.3649384482,0.0005350314,-0.0553442227,GGA,P2_1,ABC5_mP14_4_a_a_5a:Ba-Ga-H,14.0,ABC5_mP14_4_a_a_5a:Ba-Ga-H +mp-1540000,BaGaH5,-3.4955736493,-0.3654734796,0.0,-0.0558792541,GGA,Pmn2_1,ABC5_oP14_31_a_a_3ab:Ba-Ga-H,14.0,ABC5_oP14_31_a_a_3ab:Ba-Ga-H +mp-1182080,BaGaH4,-3.3244141975,-0.2380850071,0.1665698981,0.1665698981,GGA,P2_1,ABC4_mP12_4_a_a_4a:Ba-Ga-H,12.0,ABC4_mP12_4_a_a_4a:Ba-Ga-H +mp-1206799,Ba(GaH)2,-3.455163366,-0.5030395510000001,0.0,-0.0595934353,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Ga-H,5.0,AB2C2_hP5_164_a_d_d:Ba-Ga-H +mp-1008506,BaGaSiH,-3.8790448275,-0.4377660681,0.0,-0.0060313792,GGA,P3m1,ABCD_hP4_156_b_a_a_c:Ba-Ga-H-Si,4.0,ABCD_hP4_156_b_a_a_c:Ba-Ga-H-Si +mp-1192452,RbNb2PSe10,-5.3138366864,-0.9170108696,0.0,-0.0065209558,GGA,Pc,A2BCD10_mP28_7_2a_a_a_10a:Nb-P-Rb-Se,28.0,A2BCD10_mP28_7_2a_a_a_10a:Nb-P-Rb-Se +mp-1193180,Ti2(Ni7B2)3,-6.4764622152,-0.3643861828,0.0,-0.0080272722,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Ti,29.0,A6B21C2_cF116_225_e_afh_c:B-Ni-Ti +mp-1217553,Ti8Ni3(B4Ru9)2,-8.6059223247,-0.4740648636,0.0448507919,0.0448507919,GGA,P4/mbm,A8B3C18D8_tP74_127_2i_ag_h4j_2gi:B-Ni-Ru-Ti,74.0,A8B3C18D8_tP74_127_2i_ag_h4j_2gi:B-Ni-Ru-Ti +mp-1193912,Ti3(Ni10B3)2,-6.6107933376,-0.4257740178,0.0,-0.0120216298,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Ti,29.0,A6B20C3_cF116_225_e_fh_ac:B-Ni-Ti +mp-1199093,Ti9Ni2(B4Ru9)2,-8.7157846895,-0.5267554625,0.0295629437,0.0295629437,GGA,P4/mbm,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Ni-Ru-Ti,74.0,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Ni-Ru-Ti +mp-1215249,ZrNb2ZnO8,-8.8088832892,-3.010252955,0.0175895581,0.0175895581,GGA,P2,A2B8CD_mP12_3_ab_4e_c_d:Nb-O-Zn-Zr,12.0,A2B8CD_mP12_3_ad_4e_b_c:Nb-O-Zn-Zr +mp-1215560,Zr3NbZn8,-4.0720173775,-0.2534877267,0.0156449385,0.0156449385,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Nb-Zn-Zr,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Nb-Zn-Zr, expected Zr3NbZn20 to be Zr3NbZn8" +mp-756426,ZrNbO4,-9.6603800158,-3.25441993,0.1020512404,0.1020512404,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Zr,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_3f_e:Nb-O-Zr, expected ZrNbO6 to be ZrNbO4" +mp-766207,Zr6Nb2O17,-9.780233078,-3.5569322,0.0393152203,0.0393152203,GGA,C2,A2B17C6_mC100_5_2c_17c_ab5c:Nb-O-Zr,50.0,"Invalid WP multiplicities - A2B17C6_mC100_5_3c_33c_ab9c:Nb-O-Zr, expected Zr10Nb3O33 to be Zr6Nb2O17" +mp-1105225,Sc2MnNiO6,-8.488854312499999,-2.7601320675,0.0346337994,0.0346337994,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Ni-O-Sc,20.0,ABC6D2_mP20_14_a_b_3e_e:Mn-Ni-O-Sc +mp-1192255,Sm2Mn3(SbS3)4,-5.9558650957,-1.0474545477,0.0286264502,0.0286264502,GGA,C2/m,A3B12C4D2_mC42_12_ai_6i_2i_i:Mn-S-Sb-Sm,21.0,A3B12C4D2_mC42_12_ai_6i_2i_i:Mn-S-Sb-Sm +mp-1103868,Zn(ReO6)2,-6.691458994,-0.9908548263,0.5511663117,0.5511663117,GGA,P-1,A12B2C_aP15_2_6i_i_a:O-Re-Zn,15.0,A12B2C_aP15_2_6i_i_a:O-Re-Zn +mp-2218182,MgZn(ReO4)2,-7.632565945,-2.0223503017,0.2376335342,0.2376335342,GGA,P3,AB8C2D_hP12_143_a_ab2d_ab_c:Mg-O-Re-Zn,12.0,"Invalid WP multiplicities - AB8C2D_hP12_143_a_ab3d_ab_c:Mg-O-Re-Zn, expected MgZnRe2O11 to be MgZn(ReO4)2" +mp-2218235,MgZn(ReO4)2,-7.6039483567,-1.9937327133,0.2662511225,0.2662511225,GGA,P-3m1,AB8C2D_hP12_164_a_di_d_b:Mg-O-Re-Zn,12.0,AB8C2D_hP12_164_a_di_d_b:Mg-O-Re-Zn +mp-755594,ZnReO4,-7.4545780067,-1.8727404,0.1486646733,0.1486646733,GGA,Cmmm,A4BC_oC12_65_gj_a_c:O-Re-Zn,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gj_a_c:O-Re-Zn, expected ZnReO6 to be ZnReO4" +mp-10326,Zn(ReO4)2,-8.07751134,-2.1027560973,0.0,-0.1180319244,GGA,P-3,A8B2C_hP11_147_dg_d_a:O-Re-Zn,11.0,A8B2C_hP11_147_dg_d_a:O-Re-Zn +mp-1347018,HoZn(CoO3)2,-6.860493557,-1.8866015232,0.1515866917,0.1515866917,GGA+U,Pc,A2BC6D_mP20_7_2a_a_6a_a:Co-Ho-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_mP20_7_4a_a_12a_a:Co-Ho-O-Zn, expected HoZn(CoO3)4 to be HoZn(CoO3)2" +mp-1219028,SmTiFe11C,-8.2804139029,-0.0652012633,0.0503789689,0.0503789689,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Sm-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Sm-Ti +mp-1207289,Eu2Cl2F,-6.913312752,-1.6888015745,1.234904641,1.234904641,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Eu-F,5.0,A2B2C_tP5_123_g_g_a:Cl-Eu-F +mp-556382,EuClF,-8.155725935,-3.4833867925,0.0,-0.0487909292,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Eu-F,6.0,ABC_tP6_129_c_c_a:Cl-Eu-F +mp-1198571,Ba8Eu7Cl34,-5.8453626831,-2.78411659,0.0,-0.063704821,GGA,I4/m,A8B34C7_tI98_87_i_dgh3i_aeh:Ba-Cl-Eu,49.0,A8B34C7_tI98_87_i_dgh3i_aeh:Ba-Cl-Eu +mp-1190780,Eu7(ClF6)2,-8.5902656005,-3.9029401943,0.0093759333,0.0093759333,GGA,P-6,A2B7C12_hP21_174_ad_ejk_2j2k:Cl-Eu-F,21.0,A2B7C12_hP21_174_ad_ejk_2j2k:Cl-Eu-F +mp-556702,Ba6Eu(ClF6)2,-6.2733007848,-3.9682687671,0.0239211457,0.0239211457,GGA,P-6,A6B2CD12_hP21_174_jk_ad_e_2j2k:Ba-Cl-Eu-F,21.0,"Invalid WP multiplicities - A6B2CD12_hP21_174_jk_ad_e_5j5k:Ba-Cl-Eu-F, expected Ba6Eu(ClF15)2 to be Ba6Eu(ClF6)2" +mp-29550,Ba2EuCl7,-5.4084133878,-2.7049425578,0.0072004044,0.0072004044,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Eu,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Eu +mp-1222006,Mn4SiMoC,-9.1007632496,-0.2225211352,0.0,-0.001872366,GGA,Cmc2_1,AB4CD_oC56_36_2a_2a3b_b_b:C-Mn-Mo-Si,28.0,AB4CD_oC56_36_2a_2a3b_b_b:C-Mn-Mo-Si +mp-15812,Mn3Mo3C,-9.9763714007,-0.0832768723,0.0,-0.0219548667,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Mn-Mo,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_2d2e_f:C-Mn-Mo, expected Mn6Mo3C to be Mn3Mo3C" +mp-1193216,Mn20(MoC2)3,-9.4181032814,-0.0681291736,0.0257520157,0.0257520157,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:C-Mn-Mo,29.0,A6B20C3_cF116_225_e_fh_ac:C-Mn-Mo +mp-1221757,Mn2SiMo,-8.8396239025,-0.1908742215,0.1234781813,0.1234781813,GGA,Cm,A2BC_mC24_8_4ab_3a_ab:Mn-Mo-Si,12.0,A2BC_mC24_8_4ab_3a_ab:Mn-Mo-Si +mp-1222189,Mn7(Si2Mo)4,-8.3506106774,-0.4074921656,0.0026263066,0.0026263066,GGA,Pnma,A7B4C8_oP76_62_3c2d_4c_6cd:Mn-Mo-Si,76.0,A7B4C8_oP76_62_3c2d_4c_6cd:Mn-Mo-Si +mp-1197207,Mn8Si8Mo3,-8.2506029188,-0.3960967658,0.0105922557,0.0105922557,GGA,Pnma,A8B3C8_oP76_62_4c2d_3c_6cd:Mn-Mo-Si,76.0,A8B3C8_oP76_62_4c2d_3c_6cd:Mn-Mo-Si +mp-1211554,Mn6Si8Mo5,-8.4452787936,-0.4135479229,0.0,-0.0080422632,GGA,Pnma,A6B5C8_oP76_62_2c2d_5c_6cd:Mn-Mo-Si,76.0,A6B5C8_oP76_62_2c2d_5c_6cd:Mn-Mo-Si +mp-1113576,Cs2AgAuF6,-3.971140751,-2.0345290958,0.0462205545,0.0462205545,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Au-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Au-Cs-F +mp-1190489,LaTb2RuO7,-8.4747122082,-3.1923519515,0.0,-0.0193685237,GGA,Cmcm,AB7CD2_oC44_63_a_cgh_b_g:La-O-Ru-Tb,22.0,AB7CD2_oC44_63_a_cgh_b_g:La-O-Ru-Tb +mp-1191047,Tb3RuO7,-8.4352750964,-3.1803367492,0.0,-0.010338872,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Ru-Tb,22.0,A7BC3_oC44_63_cgh_a_bg:O-Ru-Tb +mp-677244,Tb5(RuO6)2,-8.4500425863,-3.1299952118,0.0,-0.0099451161,GGA,C2/m,A12B2C5_mC38_12_2i2j_h_a2i:O-Ru-Tb,19.0,"Invalid WP multiplicities - A12B2C5_mC38_12_4i6j_h_a4i:O-Ru-Tb, expected Tb9(RuO16)2 to be Tb5(RuO6)2" +mp-15161,Tb2Ru2O7,-8.2678602209,-2.5911003792,0.0155157899,0.0155157899,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Tb,22.0,A7B2C2_cF88_227_af_d_c:O-Ru-Tb +mp-1208606,Tb2RuO5,-8.316942335,-2.907370048,0.1297858992,0.1297858992,GGA,Pnma,A5BC2_oP32_62_5c_c_2c:O-Ru-Tb,32.0,A5BC2_oP32_62_5c_c_2c:O-Ru-Tb +mp-1112903,Cs2GaHgI6,-2.480748906,-1.0844709828,0.0500850228,0.0500850228,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Cs-Ga-Hg-I,10.0,A2BCD6_cF40_225_c_a_b_e:Cs-Ga-Hg-I +mp-546295,Sr2CuOsO6,-6.988538899,-2.1499695716,0.0,-0.00020574,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Cu-O-Os-Sr,10.0,"Invalid WP multiplicities - AB6CD2_tI20_87_a_2e2h_b_d:Cu-O-Os-Sr, expected Sr2CuOsO12 to be Sr2CuOsO6" +mp-1233474,CaAg4(RuO3)4,-6.3401543419,-1.1118829806,0.1919038451,0.1919038451,GGA,Imm2,A4BC12D4_oI42_44_cd_a_2a2b2e_cd:Ag-Ca-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_oI42_44_2cd_a_2a2b6e_2cd:Ag-Ca-O-Ru, expected CaAg6(Ru3O14)2 to be CaAg4(RuO3)4" +mp-1233339,CaAg4(RuO3)4,-6.3766999633,-1.148428602,0.1553582237,0.1553582237,GGA,R3m,A4BC12D4_hR63_160_ab_a_4b_ab:Ag-Ca-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_hR63_160_ab_a_8b_ab:Ag-Ca-O-Ru, expected CaAg4(RuO6)4 to be CaAg4(RuO3)4" +mp-1233547,CaAg4(RuO3)4,-6.207462511,-0.9791911496,0.324595676,0.324595676,GGA,F-43m,A4BC12D4_cF84_216_e_a_fg_e:Ag-Ca-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Ca-O-Ru, expected CaAg4(RuO9)4 to be CaAg4(RuO3)4" +mp-1111982,K2InGaCl6,-3.635083923,-1.7259041623,0.0863482601,0.0863482601,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-In-K +mp-29087,Ba2(SnSb2)3,-4.2165466307,-0.5219400048,0.0,-0.0190989193,GGA,Pnma,A2B6C3_oP44_62_2c_6c_3c:Ba-Sb-Sn,44.0,A2B6C3_oP44_62_2c_6c_3c:Ba-Sb-Sn +mp-5367,K5SnSb3,-2.9218504211000003,-0.4831203867,0.0019127223,0.0019127223,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:K-Sb-Sn,36.0,A5B3C_mP36_14_5e_3e_e:K-Sb-Sn +mp-18633,K8SnSb4,-2.7608063862,-0.498593433,0.0,-0.0253159142,GGA,Fd-3m,A8B4C_cF104_227_cf_e_a:K-Sb-Sn,26.0,A8B4C_cF104_227_cf_e_a:K-Sb-Sn +mp-1224100,K4Ba2SnSb4,-3.32384248,-0.7051949815,0.0,-0.0128076243,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Ba-K-Sb-Sn,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Ba-K-Sb-Sn, expected K7Ba4SnSb7 to be K4Ba2SnSb4" +mp-675476,K3SnSb3,-3.1985394479,-0.3802862456,0.0915638525,0.0915638525,GGA,P-1,A3B3C_aP14_2_ab2i_3i_i:K-Sb-Sn,14.0,"Invalid WP multiplicities - A3B3C_aP14_2_ab3i_5i_i:K-Sb-Sn, expected K4SnSb5 to be K3SnSb3" +mp-1339695,K3SnSb3,-2.5407971864,0.2774560159,0.7493061139,0.7493061139,GGA,P-1,A3B3C_aP14_2_bc2i_3i_i:K-Sb-Sn,14.0,"Invalid WP multiplicities - A3B3C_aP14_2_bc3i_5i_i:K-Sb-Sn, expected K4SnSb5 to be K3SnSb3" +mp-1223733,K3SnSb3,-3.2731081929,-0.4548549906,0.0169951075,0.0169951075,GGA,Cm,A3B3C_mC14_8_3a_3a_a:K-Sb-Sn,7.0,A3B3C_mC14_8_3a_3a_a:K-Sb-Sn +mp-3486,KSnSb,-3.48126134,-0.3982706593,0.0,-0.0444945556,GGA,P6_3mc,ABC_hP6_186_b_b_a:K-Sb-Sn,6.0,ABC_hP6_186_b_b_a:K-Sb-Sn +mp-8220,LiTb(CuP)2,-5.0649262467,-0.8035416933,0.0,-0.0534047769,GGA,P-3m1,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Tb,6.0,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Tb +mp-1217645,Tb4Cu5P7,-5.5476406169,-0.7397271608,0.0962359799,0.0962359799,GGA,I4mm,A5B7C4_tI32_107_ac_abc_2ab:Cu-P-Tb,16.0,A5B7C4_tI32_107_ac_abc_2ab:Cu-P-Tb +mp-1228931,CsCuNiF6,-4.5772657839,-2.1057525031,0.1575240517,0.1575240517,GGA+U,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Ni,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Ni, expected CsCuNiF12 to be CsCuNiF6" +mp-1226365,Cs2Cu3NiF10,-4.68395984,-2.2475003957,0.0078436483,0.0078436483,GGA+U,P-1,A2B3C10D_aP16_2_i_acd_5i_b:Cs-Cu-F-Ni,16.0,"Invalid WP multiplicities - A2B3C10D_aP16_2_i_acd_7i_b:Cs-Cu-F-Ni, expected Cs2Cu3NiF14 to be Cs2Cu3NiF10" +mp-23644,Hg3AsClO4,-4.1154183114,-1.0925904219,0.0094535844,0.0094535844,GGA,P2_13,ABC3D4_cP36_198_a_a_b_ab:As-Cl-Hg-O,36.0,"Invalid WP multiplicities - ABC3D4_cP36_198_a_a_b_a2b:As-Cl-Hg-O, expected Hg3AsClO7 to be Hg3AsClO4" +mp-1022910,YMg6Co,-2.786202315,0.110856336,0.1804103368,0.1804103368,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Y, expected YMg12Co to be YMg6Co" +mp-1023052,YMg6Co,-2.782386065,0.114672586,0.1842265868,0.1842265868,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Y, expected YMg12Co to be YMg6Co" +mp-1215977,YMg(CoNi)2,-5.8816005767,-0.2409905578,0.0109480221,0.0109480221,GGA,Imm2,A2BC2D_oI12_44_c_a_d_b:Co-Mg-Ni-Y,6.0,A2BC2D_oI12_44_c_a_d_b:Co-Mg-Ni-Y +mp-1207998,Y4MgCo,-5.9076414158,-0.1452276994,0.0,-0.0121637508,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Mg-Y,24.0,ABC4_cF96_216_e_e_efg:Co-Mg-Y +mp-1028224,YMg14Co,-2.19971923,0.0489501205,0.0958923258,0.0958923258,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Y, expected YMg18Co to be YMg14Co" +mp-1028100,YMg14Co,-2.1644773538,0.0841919968,0.1311342021,0.1311342021,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Y, expected YMg26Co to be YMg14Co" +mp-1212787,Er2MgTiO6,-8.547168479,-3.7160342836,0.0158707638,0.0158707638,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Er-Mg-O-Ti,20.0,A2BC6D_mP20_14_e_a_3e_b:Er-Mg-O-Ti +mp-2229012,Er4MgTi2O10,-8.5638932182,-3.5563034279,0.1746096716,0.1746096716,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Er-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Er-Mg-O-Ti +mp-2229324,Er4MgTi2O10,-8.5458478659,-3.5382580755,0.192655024,0.192655024,GGA,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Er-Mg-O-Ti,17.0,A4BC10D2_oC34_38_2c_a_ab4c_ab:Er-Mg-O-Ti +mp-2229371,Er4MgTi2O10,-8.5344938535,-3.5269040632,0.2040090363,0.2040090363,GGA,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Er-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_mC34_12_4i_a_9i_i:Er-Mg-O-Ti, expected Er8MgTi2O18 to be Er4MgTi2O10" +mp-1186130,NpAg3,-5.0233699275,0.3379919953,0.3379919953,0.3379919953,GGA,I4/mmm,A3B_tI8_139_ad_b:Ag-Np,4.0,A3B_tI8_139_ad_b:Ag-Np +mp-1186159,NpAg3,-5.0307074925,0.3306544303,0.3306544303,0.3306544303,GGA,P6_3/mmc,A3B_hP8_194_h_c:Ag-Np,8.0,A3B_hP8_194_h_c:Ag-Np +mp-1102595,CsNpAgS3,-6.2030813325,-1.355566723,0.0,-0.1328673717,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-Cs-Np-S,12.0,ABCD3_oC24_63_c_c_a_cf:Ag-Cs-Np-S +mp-561808,YbBi2ClO4,-5.9576183663,-2.1006336106,0.0331387444,0.0331387444,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Yb,,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Yb +mp-1196379,CeMoClO4,-9.5514440032,-4.0637253218,0.0,-1.3687002403,GGA+U,P2_1/c,ABCD4_mP56_14_2e_2e_2e_8e:Ce-Cl-Mo-O,56.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_8e:Ce-Cl-Mo-O, expected CeMoClO8 to be CeMoClO4" +mp-646129,RbEuAsS3,-6.1068167754000005,-1.3891494624,0.0,-0.0694661177,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Eu-Rb-S,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_10e:As-Eu-Rb-S, expected RbEuAsS10 to be RbEuAsS3" +mp-1111553,NaLi2AlF6,-5.259602138,-3.2241200718,0.24100625,0.24100625,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-Li-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-Li-Na +mp-6604,Na2LiAlF6,-5.402567552,-3.4257252431,0.010146467,0.010146467,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Al-F-Li-Na,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_5e_b_e:Al-F-Li-Na, expected Na2LiAlF10 to be Na2LiAlF6" +mp-1111056,Na2LiAlF6,-5.378931603,-3.4020892941,0.033782416,0.033782416,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-Li-Na +mp-6711,Na3Li3Al2F12,-5.4625354983,-3.4563733107,0.0,-0.0164212924,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-F-Li-Na,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-F-Li-Na +mp-1216166,Y10(SiGe)3,-6.70091136,-0.7753020607000001,0.0,-0.0119849263,GGA,P-62m,A3B3C10_hP16_189_f_g_fgh:Ge-Si-Y,16.0,A3B3C10_hP16_189_f_g_fgh:Ge-Si-Y +mp-1216092,YMn2SiGe,-7.529196256,-0.5614267395,0.0089538533,0.0089538533,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:Ge-Mn-Si-Y,5.0,AB2CD_tI10_107_a_b_a_a:Ge-Mn-Si-Y +mp-1222217,Mn9Ga2SnC3,-5.945394274,2.0685989264,2.1724097149,2.1724097149,GGA,P4/mmm,A3B2C9D_tP15_123_ch_g_aegi_b:C-Ga-Mn-Sn,15.0,"Invalid WP multiplicities - A3B2C9D_tP15_123_ch_g_a2eg2i_b:C-Ga-Mn-Sn, expected Mn15Ga2SnC3 to be Mn9Ga2SnC3" +mp-17339,Ba5Ho8Mn4O21,-8.2071362858,-3.2918028709,0.0013478379,0.0013478379,GGA+U,I4/m,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Ho-Mn-O,38.0,"Invalid WP multiplicities - A5B8C4D21_tI76_87_ah_2h_h_b2h2i:Ba-Ho-Mn-O, expected Ba5Ho8Mn4O25 to be Ba5Ho8Mn4O21" +mp-1222824,LuSc(FeO3)2,-8.587177283,-2.8398178517,0.0376939473,0.0376939473,GGA+U,P3,A2BC6D_hP30_143_2d_a2b_2a2b2c4d_a2c:Fe-Lu-O-Sc,30.0,A2BC6D_hP30_143_2d_a2b_2a2b2c4d_a2c:Fe-Lu-O-Sc +mp-776593,LuScO3,-9.122406674,-3.9837095222,0.0634593465,0.0634593465,GGA,Pnma,AB3C_oP20_62_c_cd_a:Lu-O-Sc,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Lu-O-Sc, expected LuScO7 to be LuScO3" +mp-772180,LuScO3,-9.1458221313,-4.0071249796,0.0400438892,0.0400438892,GGA,P6_3cm,AB3C_hP30_185_ab_ab2c_c:Lu-O-Sc,30.0,"Invalid WP multiplicities - AB3C_hP30_185_a2b_a3b11c_c:Lu-O-Sc, expected Lu5Sc3O40 to be LuScO3" +mp-1220728,NaLi(AsS2)2,-4.4824391713,-0.8455036165,0.0085843797,0.0085843797,GGA,P1,A2BCD4_aP8_1_2a_a_a_4a:As-Li-Na-S,8.0,A2BCD4_aP8_1_2a_a_a_4a:As-Li-Na-S +mp-9815,TaTl(CuS2)2,-5.7683084956,-0.8977292976000001,0.0006219944,0.0006219944,GGA,Ama2,A2B4CD_oC32_40_ab_2bc_b_b:Cu-S-Ta-Tl,16.0,"Invalid WP multiplicities - A2B4CD_oC32_40_2a2b_3bc_b_b:Cu-S-Ta-Tl, expected TaTlCu4S5 to be TaTl(CuS2)2" +mp-554994,Ta2Tl3Cu3S8,-5.67474547,-0.9127014922,0.0,-0.0054730292,GGA,C2,A3B8C2D3_mC32_5_ac_4c_c_bc:Cu-S-Ta-Tl,16.0,"Invalid WP multiplicities - A3B8C2D3_mC32_5_ac_7c_c_bc:Cu-S-Ta-Tl, expected Ta2Tl3Cu3S14 to be Ta2Tl3Cu3S8" +mp-1226789,CdFe4NiO8,-7.291905905,-1.5664329786,0.0409912332,0.0409912332,GGA+U,R3m,AB4CD8_hR42_160_a_ab_a_2a2b:Cd-Fe-Ni-O,14.0,AB4CD8_hR42_160_a_ab_a_2a2b:Cd-Fe-Ni-O +mp-1217951,TaTiCo,-9.1057344058,-0.1518719253,0.1152107063,0.1152107063,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Ta-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Ta-Ti, expected Ta3(TiCo)2 to be TaTiCo" +mp-1218101,Ta2Ti2Co2C,-9.4460229868,-0.4529029331,0.0318678861,0.0318678861,GGA,I-4m2,AB2C2D2_tI56_119_i_2i_efg_hi:C-Co-Ta-Ti,28.0,AB2C2D2_tI56_119_i_2i_efg_hi:C-Co-Ta-Ti +mp-1078566,Ce2Mn2Se2O3,-8.2148345567,-2.4346014474,0.04213065,0.04213065,GGA+U,I4/mmm,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Mn-O-Se,9.0,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Mn-O-Se +mp-582774,Ce4MnSe6O,-7.0470060162,-2.1456285588,0.0,-0.0184743018,GGA+U,P6_3mc,A4BCD6_hP24_186_bc_a_b_2c:Ce-Mn-O-Se,24.0,"Invalid WP multiplicities - A4BCD6_hP24_186_2b2c_a_b_6c:Ce-Mn-O-Se, expected Ce8MnSe18O to be Ce4MnSe6O" +mp-1226784,Ce2Mn(SeO)2,-8.0348960814,-2.6186969414,0.0,-0.0513099214,GGA+U,P-4m2,A2BC2D2_tP7_115_g_c_ab_g:Ce-Mn-O-Se,7.0,A2BC2D2_tP7_115_g_c_ab_g:Ce-Mn-O-Se +mp-686139,Na19Zr11S30,-5.7485025302,-1.6943994717000002,0.0002165159,-0.0025862574,GGA,P-1,A19B30C11_aP120_2_ab18i_30i_11i:Na-S-Zr,120.0,"Invalid WP multiplicities - A19B30C11_aP120_2_ab36i_58i_20i:Na-S-Zr, expected Na37(Zr10S29)2 to be Na19Zr11S30" +mp-1221560,Na19Zr11S30,-5.7487190462,-1.6946159876,0.0,-0.0028027733,GGA,C2/m,A19B30C11_mC120_12_ag4i2j_5i5j_ch2j:Na-S-Zr,60.0,"Invalid WP multiplicities - A19B30C11_mC120_12_a2g7i6j_10i19j_d2h6j:Na-S-Zr, expected Na43Zr29S96 to be Na19Zr11S30" +mp-1210267,Na2ZrS3,-5.6258534667,-1.6921699971000002,0.0,-0.0535752528,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-S-Zr,12.0,A2B3C_mC24_12_acg_ij_h:Na-S-Zr +mp-556536,Na2Zr(CuS2)2,-5.2411922344,-1.2481962317,0.0,-0.0023479797,GGA,C2/m,A2B2C4D_mC18_12_i_i_2i_a:Cu-Na-S-Zr,9.0,A2B2C4D_mC18_12_i_i_2i_a:Cu-Na-S-Zr +mp-9107,NaZrCuS3,-5.836170265,-1.439706566,0.0,-0.0413242467,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Na-S-Zr,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c2f_a:Cu-Na-S-Zr, expected NaZrCuS6 to be NaZrCuS3" +mp-21402,PrCr2Si2C,-7.7525351183,-0.3914847437,0.0099683399,0.0099683399,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-Pr-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-Pr-Si +mp-561357,TiNb3Cl7O2,-6.8054505762,-2.1106397162,0.0,-0.0119039981,GGA,C2/c,A7B3C2D_mC104_15_2e6f_3f_2f_ae:Cl-Nb-O-Ti,52.0,"Invalid WP multiplicities - A7B3C2D_mC104_15_4e22f_11f_5f_2c2e:Cl-Nb-O-Ti, expected Ti2Nb11Cl24O5 to be TiNb3Cl7O2" +mp-998761,TlNiF3,-4.957876744,-2.1824333982,0.010862042,0.010862042,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Ni-Tl,5.0,A3BC_cP5_221_c_b_a:F-Ni-Tl +mp-1206532,Tl2NiF4,-4.7323204786,-2.1392720724,0.0,-0.0184458118,GGA+U,I4/mmm,A4BC2_tI14_139_ce_a_e:F-Ni-Tl,7.0,A4BC2_tI14_139_ce_a_e:F-Ni-Tl +mp-1226140,Cs3TlNi3F10,-4.9626070182,-2.5211923137,0.012137066,0.012137066,GGA+U,C2/m,A3B10C3D_mC68_12_3i_4i3j_ad2i_i:Cs-F-Ni-Tl,34.0,"Invalid WP multiplicities - A3B10C3D_mC68_12_3i_4i5j_ac2i_i:Cs-F-Ni-Tl, expected Cs3TlNi3F14 to be Cs3TlNi3F10" +mp-1219069,SmFe11Mo,-8.3529865831,0.0112033827,0.0120215958,0.0120215958,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Sm,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Mo-Sm +mp-1219098,SmFe10Mo2N,-8.6412517921,-0.109352265,0.1288873093,0.1288873093,GGA,Immm,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Sm,14.0,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Sm +mp-1219146,SmFe10Mo2N,-8.3932074786,0.1386920486,0.3769316229,0.3769316229,GGA,Immm,A10B2CD_oI28_71_efgn_h_a_c:Fe-Mo-N-Sm,14.0,A10B2CD_oI28_71_efgn_h_a_c:Fe-Mo-N-Sm +mp-1219335,Sm(Fe5Mo)2,-8.5319937615,0.0149368888,0.016573315,0.016573315,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Sm,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Mo-Sm +mp-1181927,CaYCu3Se4,-4.8760612589,-1.0145793796,0.2267915087,0.2267915087,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-Y,9.0,AB3C4D_cP9_215_a_c_e_b:Ca-Cu-Se-Y +mp-30149,K6Tl2Sb3,-2.6012558,-0.4399209186,0.0,-0.0476750913,GGA,C2/c,A6B3C2_mC88_15_2e5f_3f_2f:K-Sb-Tl,44.0,A6B3C2_mC88_15_2e5f_3f_2f:K-Sb-Tl +mp-1111196,K2TlSbCl6,-3.635175547,-1.6548093229,0.0692176358,0.0692176358,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Sb-Tl +mp-1111999,K2AlAuBr6,-3.288995921,-1.4331533506,0.1697577221,0.1697577221,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Br-K +mp-1025509,ZrZnF6,-6.1669304475,-3.5073906919,0.0,-0.0297058109,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Zn-Zr,8.0,A6BC_cF32_225_e_a_b:F-Zn-Zr +mp-1205730,ZrZn3F6,-4.908694682,-2.5291141555000003,0.276798398,0.276798398,GGA,P-1,A6B3C_aP10_2_3i_bef_a:F-Zn-Zr,10.0,A6B3C_aP10_2_3i_bef_a:F-Zn-Zr +mp-15141,NaZr2ZnF11,-6.35226692,-3.6386709996,0.0,-0.0112917977,GGA,C2/m,A11BCD2_mC30_12_bh2ij_c_a_i:F-Na-Zn-Zr,15.0,A11BCD2_mC30_12_ah2ij_c_b_i:F-Na-Zn-Zr +mp-1206842,Zr3ZnF6,-6.137023143,-2.2998512125,0.7594583584,0.7594583584,GGA,P-1,A6BC3_aP10_2_3i_a_bcd:F-Zn-Zr,10.0,A6BC3_aP10_2_3i_a_bcd:F-Zn-Zr +mp-997591,CsNa7Ta8O24,-8.6104488712,-3.0170531328,0.0480087343,0.0480087343,GGA,Pm-3m,AB7C24D8_cP40_221_a_bcd_ij_g:Cs-Na-O-Ta,40.0,"Invalid WP multiplicities - AB7C24D8_cP40_221_a_b2c2d_7i7j_g:Cs-Na-O-Ta, expected CsNa13Ta8O168 to be CsNa7Ta8O24" +mp-1096805,AgBrO2,-3.8208688175,-0.2511283785,0.1193102075,0.1193102075,GGA,P1,ABC2_aP4_1_a_a_2a:Ag-Br-O,4.0,ABC2_aP4_1_a_a_2a:Ag-Br-O +mp-997047,AgBrO2,-3.79749838,-0.227757941,0.142680645,0.142680645,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ag-Br-O,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Ag-Br-O, expected AgBrO3 to be AgBrO2" +mp-997048,AgBrO2,-3.7929365275,-0.2231960885,0.1472424975,0.1472424975,GGA,C2/c,ABC2_mC16_15_c_e_f:Ag-Br-O,8.0,ABC2_mC16_15_a_e_f:Ag-Br-O +mp-756139,AgBrO4,-4.24280109,-0.2140778936,0.0411471542,0.0411471542,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Ag-Br-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:Ag-Br-O, expected AgBrO13 to be AgBrO4" +mp-755991,AgBrO4,-4.2051492187,-0.1764260224,0.0787990255,0.0787990255,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ag-Br-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_4c3d:Ag-Br-O, expected AgBrO10 to be AgBrO4" +mp-756342,AgBrO4,-4.2272607658,-0.1985375694,0.0566874784,0.0566874784,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ag-Br-O,12.0,ABC4_tI24_88_a_b_f:Ag-Br-O +mp-1178562,AgBrO3,-4.149789242,-0.3046591486,0.0016109088,0.0016109088,GGA,R3m,ABC3_hR15_160_a_a_b:Ag-Br-O,5.0,ABC3_hR15_160_a_a_b:Ag-Br-O +mp-2218940,MgAg2(BrO4)2,-4.45487725,-0.6129573726,0.16034786,0.16034786,GGA,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Ag-Br-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_7c:Ag-Br-Mg-O, expected MgAg2(BrO7)2 to be MgAg2(BrO4)2" +mp-2223040,MgAg2(BrO2)2,-3.9918352344,-0.6409237276,0.3973536724,0.3973536724,GGA,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Br-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Br-Mg-O +mp-2239883,MgAg2(BrO2)2,-3.9125789256,-0.5616674187,0.4766099813,0.4766099813,GGA,C2,A2B2CD4_mC18_5_c_ab_a_2c:Ag-Br-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_mC18_5_c_ab_a_4c:Ag-Br-Mg-O, expected MgAg2(BrO4)2 to be MgAg2(BrO2)2" +mp-2222799,MgAg2(BrO2)2,-3.9063578067,-0.5554462998,0.4828311002,0.4828311002,GGA,Pm,A2B2CD4_mP9_6_ab_ab_a_2a2b:Ag-Br-Mg-O,9.0,A2B2CD4_mP9_6_ab_ab_a_2a2b:Ag-Br-Mg-O +mp-1110889,K2NaTaBr6,-4.071964071,-1.6000369913,0.1583909226,0.1583909226,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Ta +mp-1214596,Ba6Ho2Ga4O15,-6.9664769959,-3.003833213,0.0,-0.0231908852,GGA,P2/c,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Ho-O,54.0,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Ho-O +mp-541897,Rb2Cd(PSe3)2,-4.0113502427,-0.8580746260000001,0.0,-0.0239307561,GGA,P2_1/c,AB2C2D6_mP22_14_a_e_e_3e:Cd-P-Rb-Se,22.0,AB2C2D6_mP22_14_a_e_e_3e:Cd-P-Rb-Se +mp-16818,Rb2Cd3Se4,-3.1339872614,-1.0547224463,0.0,-0.0818846125,GGA,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Cd-Rb-Se,36.0,A3B2C4_oP36_62_cd_ac_2cd:Cd-Rb-Se +mp-1079559,CdPSe3,-3.954065545,-0.5892802051,0.0,-0.0434490918,GGA,R-3,ABC3_hR30_148_c_c_f:Cd-P-Se,10.0,ABC3_hR30_148_c_c_f:Cd-P-Se +mp-1227674,Bi3Sb5Pb4O21,-6.3795493573,-1.8068970904,0.0062150045,0.0062150045,GGA,P1,A3B21C4D5_aP33_1_3a_21a_4a_5a:Bi-O-Pb-Sb,33.0,A3B21C4D5_aP33_1_3a_21a_4a_5a:Bi-O-Pb-Sb +mp-1113077,Cs2NaAuF6,-4.130652852,-2.3450442677,0.045449029,0.045449029,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Na +mp-1198509,GePb2(SeO3)4,-5.9764446529,-1.4821166297,0.0,-0.0021668447,GGA,P2_1/c,AB12C2D4_mP38_14_a_6e_e_2e:Ge-O-Pb-Se,38.0,AB12C2D4_mP38_14_a_6e_e_2e:Ge-O-Pb-Se +mp-1205339,Ge(SeO3)2,-6.0943363183,-1.5060048652,0.0,-0.0433699976,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Ge-O-Se,18.0,AB6C2_mP18_14_a_3e_e:Ge-O-Se +mp-1204060,Ge(SeO3)2,-6.0784013431,-1.49006989,0.0159349753,-0.0274350223,GGA,Pa-3,AB6C2_cP36_205_a_d_c:Ge-O-Se,36.0,AB6C2_cP36_205_a_d_c:Ge-O-Se +mp-6639,RbGeSbO5,-6.409376162,-2.1011253216,0.0,-0.0381769036,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Ge-O-Rb-Sb,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_2a_13a_2a_2a:Ge-O-Rb-Sb, expected Rb2Ge2Sb2O13 to be RbGeSbO5" +mp-1189897,Ba2ThS6,-5.9920219967,-1.9841878488,0.0,-0.0213273692,GGA,P4_2/nmc,A2B6C_tP18_137_c_dg_a:Ba-S-Th,18.0,A2B6C_tP18_137_c_dg_a:Ba-S-Th +mp-1078630,Ba2ThCu2S5,-5.819331845,-1.8060847646,0.0,-0.0560783668,GGA,C2/m,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-S-Th,10.0,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-S-Th +mp-1195483,BaTh2S5,-7.0624229969,-2.3838054001,0.0,-0.0613876606,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ba-S-Th,32.0,AB5C2_mP32_14_e_5e_2e:Ba-S-Th +mp-1095303,FeBi4S7,-4.9596066867,-0.5606794535,0.1187925871,0.1187925871,GGA,C2/m,A4BC7_mC24_12_2i_a_d3i:Bi-Fe-S,12.0,A4BC7_mC24_12_2i_a_c3i:Bi-Fe-S +mp-1227486,BiSbS3,-4.6809081295,-0.6051401354,0.0023040868,0.0023040868,GGA,Pnma,AB3C_oP20_62_c_3c_c:Bi-S-Sb,20.0,AB3C_oP20_62_c_3c_c:Bi-S-Sb +mp-601716,FeBiSbS4,-5.2080701561,-0.4958828636,0.1791170443,0.1791170443,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:Bi-Fe-S-Sb,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_14c_c:Bi-Fe-S-Sb, expected FeBiSbS14 to be FeBiSbS4" +mp-7903,Cs2ZrF6,-6.09807204,-3.675029909,0.0,-0.1880506919,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Zr,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Zr +mp-1201167,Cs2ZrCu3F12,-5.2787359375000005,-2.7468541045,0.0,-0.0028692692,GGA,P2_1/m,A2B3C12D_mP36_11_2e_ade_4e4f_e:Cs-Cu-F-Zr,36.0,A2B3C12D_mP36_11_2e_abe_4e4f_e:Cs-Cu-F-Zr +mp-9202,Cs2ZrCu3F12,-5.2769886344,-2.7451068014,0.0017473031,-0.0011219661,GGA,R-3m,A2B3C12D_hR54_166_c_d_2h_a:Cs-Cu-F-Zr,18.0,A2B3C12D_hR54_166_c_d_2h_a:Cs-Cu-F-Zr +mp-2242058,EuMgCoO3,-7.5005766817,-1.8662990519,0.6946069297,0.6946069297,GGA+U,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Co-Eu-Mg-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_b_c_d_a2e:Co-Eu-Mg-O, expected EuMgCoO5 to be EuMgCoO3" +mp-1196490,La4Cd4In2S13,-5.1289519371,-1.5327431027,0.0493828968,0.0493828968,GGA,Pbam,A4B2C4D13_oP92_55_2g2h_acg_4h_8g5h:Cd-In-La-S,92.0,A4B2C4D13_oP92_55_2g2h_acg_4h_8g5h:Cd-In-La-S +mp-1097210,LaCd2In,-0.8373017775,1.5460658112,1.9227515092,1.9227515092,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-In-La,4.0,A2BC_oI8_71_e_a_b:Cd-In-La +mp-1096628,La2CdIn,-1.5017398625,1.8849070625,2.304923355,2.2996710675,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-In-La,4.0,ABC2_oI8_71_a_b_e:Cd-In-La +mp-1185193,La2CdIn,-3.8066632175,-0.4200162925,0.0,-0.0052522875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-In-La,4.0,ABC2_cF16_225_a_b_c:Cd-In-La +mp-1095083,Sm2CdGe2,-4.655453422,-0.7342298740000001,0.0,-0.0392006912,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ge-Sm,10.0,AB2C2_tP10_127_a_g_h:Cd-Ge-Sm +mp-1219158,Sm6Cd(GeS7)2,-5.9918187783,-1.8009161515,0.0,-0.0069544226,GGA,P3,AB2C14D6_hP23_143_c_ab_ab4d_2d:Cd-Ge-S-Sm,23.0,AB2C14D6_hP23_143_c_ab_ab4d_2d:Cd-Ge-S-Sm +mp-755805,Sc(CuO2)2,-6.8857108121,-1.9831911993,0.0018563982,0.0018563982,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Sc,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Sc +mp-754841,Sc(CuO2)2,-6.7818128636,-1.8792932507,0.1057543468,0.1057543468,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Cu-O-Sc,14.0,A2B4C_tI28_141_c_h_b:Cu-O-Sc +mp-1102311,Sc3(CuGe)4,-5.4660550536,-0.5672963795,0.0,-0.027400903,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Sc,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Sc +mp-1078430,ScCuGe,-5.6772613167,-0.6590267733,0.0,-0.0755702221,GGA,P-62m,ABC_hP9_189_f_bc_g:Cu-Ge-Sc,9.0,ABC_hP9_189_f_bc_g:Cu-Ge-Sc +mp-1206354,ScCuGe,-5.5040681444,-0.4858336011,0.1731931722,0.0976229502,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-Ge-Sc,9.0,ABC_hP9_189_ad_g_f:Cu-Ge-Sc +mp-1206358,ScCuGe,-4.9001984722,0.1180360711,0.7770628444000001,0.7014926224,GGA,P-62m,ABC_hP9_189_f_g_ad:Cu-Ge-Sc,9.0,ABC_hP9_189_f_g_ad:Cu-Ge-Sc +mp-19949,Sc2Cu2Ge4O13,-7.2631377219,-2.3268321878,0.0027184008,0.0027184008,GGA,P2_1/m,A2B4C13D2_mP42_11_f_4e_5e4f_f:Cu-Ge-O-Sc,42.0,A2B4C13D2_mP42_11_f_4e_5e4f_f:Cu-Ge-O-Sc +mp-973068,ScCuO3,-6.892613322,-1.8382649402,0.5634292605,0.5634292605,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Sc,5.0,AB3C_cP5_221_b_c_a:Cu-O-Sc +mp-685833,Sc14Cu14O37,-7.5362330265,-2.4736031316,0.0823954258,0.0823954258,GGA,Cm,A14B37C14_mC130_8_14a_37a_14a:Cu-O-Sc,65.0,A14B37C14_mC130_8_14a_37a_14a:Cu-O-Sc +mp-4636,ScCuO2,-7.80651815,-2.7252548506,0.0002579025,-0.0024712639,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Sc,4.0,AB2C_hR12_166_a_c_b:Cu-O-Sc +mp-3642,ScCuO2,-7.8067760525,-2.7255127531000003,0.0,-0.0027291664,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cu-O-Sc,8.0,AB2C_hP8_194_c_f_a:Cu-O-Sc +mp-686085,Sc13Cu13O33,-7.5637945154,-2.4984976926,0.1071920982,0.1071920982,GGA,Cm,A13B33C13_mC118_8_13a_33a_13a:Cu-O-Sc,59.0,A13B33C13_mC118_8_13a_33a_13a:Cu-O-Sc +mp-752959,Sc5Cu5O13,-7.5961916461,-2.5324815539000003,0.0436436587,0.0436436587,GGA,P1,A5B13C5_aP23_1_5a_13a_5a:Cu-O-Sc,23.0,A5B13C5_aP23_1_5a_13a_5a:Cu-O-Sc +mp-1219443,Sc2Cu2O5,-7.5817086856,-2.5153981182000003,0.1091801532,0.1091801532,GGA,Pm,A2B5C2_mP9_6_ab_2a3b_ab:Cu-O-Sc,9.0,A2B5C2_mP9_6_ab_2a3b_ab:Cu-O-Sc +mp-15336,Sc2Cu2O5,-7.6294967906,-2.5631862232,0.0613920482,0.0613920482,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Sc,36.0,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Sc +mp-861904,La3AlCrS7,-6.7693376988,-2.0058548918,0.0037328344,0.0037328344,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Cr-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Cr-La-S +mp-1104839,La(Al2Cr)4,-5.8370530185,-0.1822219704,0.0450946473,0.0450946473,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-La,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-La +mp-1200867,La(Al10Cr)2,-4.467583067,-0.1565561693,0.0,-7.7465e-05,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-La,46.0,A20B2C_cF184_227_cfg_d_a:Al-Cr-La +mp-687227,MnSb2Pb5O11,-6.4961801358,-1.7384522965,0.0,-0.0106735965,GGA+U,Cmcm,AB11C5D2_oC76_63_c_cf2h_cfg_e:Mn-O-Pb-Sb,38.0,"Invalid WP multiplicities - AB11C5D2_oC76_63_c_2c4f8h_2c3f3g_e:Mn-O-Pb-Sb, expected MnSb2(PbO3)14 to be MnSb2Pb5O11" +mp-1212617,GdTl(MoO4)2,-8.8390613694,-2.363763428,0.0,-0.011217904,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Gd-Mo-O-Tl,48.0,AB2C8D_oP48_60_c_d_4d_c:Gd-Mo-O-Tl +mp-1235200,LiSm2Cr2O8,-8.1381141085,-2.7361372033,0.0666733551,0.0666733551,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Li-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Cr-Li-O-Sm, expected LiSm2Cr2O14 to be LiSm2Cr2O8" +mp-1236671,LiSm2Cr2O8,-8.1175745677,-2.7155976626,0.0872128959,0.0872128959,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Cr-Li-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Cr-Li-O-Sm, expected LiSm2Cr2O16 to be LiSm2Cr2O8" +mp-1191486,Pr3AlFeS7,-6.4781546933000005,-1.8520327456,0.0469867744,0.0469867744,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-Pr-S +mp-631575,TiCrAg,-5.9532182,0.8404802967,0.9148619447,0.9148619447,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Cr-Ti,3.0,ABC_cF12_216_a_c_b:Ag-Cr-Ti +mp-1238848,TiCrAgS4,-6.2105479125,-0.9352772043,0.1747067748,0.1747067748,GGA,P1,ABC4D_aP56_1_8a_8a_32a_8a:Ag-Cr-S-Ti,56.0,ABC4D_aP56_1_8a_8a_32a_8a:Ag-Cr-S-Ti +mp-1238865,TiCrAgS4,-6.3534981832,-1.078227475,0.0317565041,0.0317565041,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti +mp-1238895,TiCrAgS4,-6.1966192954,-0.9213485871,0.1886353919,0.1886353919,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti +mp-1238897,TiCrAgS4,-6.2013643636,-0.9260936554,0.1838903237,0.1838903237,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Cr-S-Ti +mp-1238863,TiCrAgS4,-6.1935602371,-0.9182895289,0.1916944502,0.1916944502,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Cr-S-Ti,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Cr-S-Ti +mp-1238874,TiCrAgS4,-6.2659246986,-0.9906539904,0.1193299887,0.1193299887,GGA,P-1,ABC4D_aP28_2_2i_ahi_8i_cfi:Ag-Cr-S-Ti,28.0,ABC4D_aP28_2_2i_ahi_8i_cfi:Ag-Cr-S-Ti +mp-1238870,TiCrAgS4,-6.2473409357,-0.9720702275,0.1379137516,0.1379137516,GGA,P2,ABC4D_mP14_3_2b_ac_4e_ac:Ag-Cr-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mP14_3_2b_ac_8e_ac:Ag-Cr-S-Ti, expected TiCrAgS8 to be TiCrAgS4" +mp-1238852,TiCrAgS4,-6.3814259171,-1.1061552089,0.0038287702,0.0038287702,GGA,C2,ABC4D_mC28_5_c_ab_4c_c:Ag-Cr-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_46_b_a_3b2c_b:Ag-Cr-S-Ti, expected TiCrAgS7 to be TiCrAgS4" +mp-1238892,TiCrAgS4,-6.3186832979,-1.0434125896,0.0665713894,0.0665713894,GGA,Pm,ABC4D_mP28_6_2a2b_3ab_8a8b_a3b:Ag-Cr-S-Ti,28.0,ABC4D_mP28_6_2a2b_3ab_8a8b_a3b:Ag-Cr-S-Ti +mp-1238875,TiCrAgS4,-6.3787448257,-1.1034741175,0.0065098616,0.0065098616,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Ag-Cr-S-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Ag-Cr-S-Ti +mp-1216979,TiCrAgS4,-6.3740893357,-1.0988186275,0.0111653516,0.0111653516,GGA,P2/m,ABC4D_mP7_10_c_a_mn_e:Ag-Cr-S-Ti,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_a_c_2mn_e:Ag-Cr-S-Ti, expected TiCrAgS6 to be TiCrAgS4" +mp-1238850,TiCrAgS4,-6.3808809286,-1.1056102204,0.0043737587,0.0043737587,GGA,P2/m,ABC4D_mP14_10_ce_m_2m2n_n:Ag-Cr-S-Ti,14.0,ABC4D_mP14_10_ae_m_2m2n_n:Ag-Cr-S-Ti +mp-1238851,TiCrAgS4,-6.2479780721,-0.9727073639,0.1372766152,0.1372766152,GGA,P2_1/m,ABC4D_mP14_11_e_e_4e_e:Ag-Cr-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mP14_11_e_e_6e_e:Ag-Cr-S-Ti, expected TiCrAgS6 to be TiCrAgS4" +mp-1238893,TiCrAgS4,-6.3820157371,-1.1067450289,0.0032389502,0.0032389502,GGA,I2_12_12_1,ABC4D_oI28_24_a_b_2d_c:Ag-Cr-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_24_a_b_8d_c:Ag-Cr-S-Ti, expected TiCrAgS16 to be TiCrAgS4" +mp-1238857,TiCrAgS4,-6.1883854239,-0.9131147157,0.1968692634,0.1968692634,GGA,Pmc2_1,ABC4D_oP28_26_ab_2a_2a2b2c_2b:Ag-Cr-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_26_2ab_2b_3a3b5c_2a:Ag-Cr-S-Ti, expected Ti2Cr2Ag3S16 to be TiCrAgS4" +mp-1238868,TiCrAgS4,-6.2981502232,-1.022879515,0.0871044641,0.0871044641,GGA,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:Ag-Cr-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_26_2ab_2a_5a7b_2b:Ag-Cr-S-Ti, expected Ti2Cr2(AgS4)3 to be TiCrAgS4" +mp-1238880,TiCrAgS4,-6.0831243977,-0.8078536895,0.3021302896,0.3021302896,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Ag-Cr-S-Ti,56.0,ABC4D_oP56_29_2a_2a_8a_2a:Ag-Cr-S-Ti +mp-1238829,TiCrAgS4,-6.1938222986,-0.9185515904,0.1914323887,0.1914323887,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_4a2b_2a:Ag-Cr-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_4a_2a_8a7b_2a:Ag-Cr-S-Ti, expected TiCrAg2S11 to be TiCrAgS4" +mp-1238873,TiCrAgS4,-6.2997660568,-1.0244953486,0.0854886305,0.0854886305,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Ag-Cr-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_4a_2a_16a_2a:Ag-Cr-S-Ti, expected TiCr(AgS4)2 to be TiCrAgS4" +mp-1238877,TiCrAgS4,-6.2932597207,-1.0179890125,0.0919949666,0.0919949666,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Ag-Cr-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_4a_2a_16a_2a:Ag-Cr-S-Ti, expected TiCr(AgS4)2 to be TiCrAgS4" +mp-1238871,TiCrAgS4,-6.2355473321,-0.9602766239,0.1497073552,0.1497073552,GGA,Ima2,ABC4D_oI28_46_b_a_2bc_b:Ag-Cr-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_46_b_a_3b2c_b:Ag-Cr-S-Ti, expected TiCrAgS7 to be TiCrAgS4" +mp-1238881,TiCrAgS4,-6.3493198736,-1.0740491654,0.0359348137,0.0359348137,GGA,Pmmn,ABC4D_oP28_59_ab_e_2eg_c:Ag-Cr-S-Ti,28.0,ABC4D_oP28_59_ab_e_2eg_c:Ag-Cr-S-Ti +mp-1238884,TiCrAgS4,-6.2912313086000005,-1.0159606004,0.0940233787,0.0940233787,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ag-Cr-S-Ti,28.0,ABC4D_oP28_62_c_a_2cd_c:Ag-Cr-S-Ti +mp-1238896,TiCrAgS4,-6.1851457343,-0.9098750261,0.200108953,0.200108953,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ag-Cr-S-Ti,28.0,ABC4D_oP28_62_c_c_2cd_c:Ag-Cr-S-Ti +mp-1238898,TiCrAgS4,-6.2115889946,-0.9363182864,0.1736656927,0.1736656927,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ag-Cr-S-Ti,28.0,ABC4D_oP28_62_c_c_2cd_c:Ag-Cr-S-Ti +mp-1238901,TiCrAgS4,-6.2773677629,-1.0020970546,0.1078869244,0.1078869244,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:Ag-Cr-S-Ti,28.0,ABC4D_oP28_62_c_c_4c_c:Ag-Cr-S-Ti +mp-557833,Ti(Ag4S3)2,-4.1723310542,-0.4806884379,0.0235785363,0.0235785363,GGA,Pna2_1,A8B6C_oP60_33_8a_6a_a:Ag-S-Ti,60.0,"Invalid WP multiplicities - A8B6C_oP60_33_28a_19a_a:Ag-S-Ti, expected TiAg28S19 to be Ti(Ag4S3)2" +mp-1217143,Ti3AgS6,-6.584570209,-1.4507970835,0.0029486897,0.0029486897,GGA,R-3,AB6C3_hR30_148_a_f_bc:Ag-S-Ti,10.0,AB6C3_hR30_148_a_f_bc:Ag-S-Ti +mp-675920,Ti6AgS12,-6.7851485247,-1.5302587086,0.0,-0.0049280179,GGA,C2/m,AB12C6_mC38_12_a_2i2j_ij:Ag-S-Ti,19.0,"Invalid WP multiplicities - AB12C6_mC38_12_a_4i8j_2i3j:Ag-S-Ti, expected Ti16AgS40 to be Ti6AgS12" +mp-1190945,La3MgAlS7,-6.2477802408,-2.1553613856,0.0,-0.0089239816,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Mg-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-La-Mg-S +mp-555893,Pr3CuSiS7,-6.2460786179,-1.8442126985,0.0,-0.0544509369,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Pr-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b9c_b:Cu-Pr-S-Si, expected Pr3CuSiS29 to be Pr3CuSiS7" +mp-1043811,ZnFe(GeO3)2,-6.8033103795,-1.9377150998,0.0222266536,0.0222266536,GGA+U,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Fe-Ge-O-Zn,40.0,AB2C6D_mP40_14_e_2e_6e_e:Fe-Ge-O-Zn +mp-1043588,ZnFe(GeO3)2,-6.8050813903,-1.9394861105,0.0204556428,0.0204556428,GGA+U,C2/c,AB2C6D_mC40_15_e_f_3f_e:Fe-Ge-O-Zn,40.0,AB2C6D_mC40_15_e_f_3f_e:Fe-Ge-O-Zn +mp-1363943,Zn3Fe2(GeO4)3,-6.5245308981,-1.8270998306,0.1016560062,0.1016560062,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Fe-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Fe-Ge-O-Zn +mp-1110900,K2LiPrBr6,-3.936621742,-2.1137420924,0.0689036425,0.0689036425,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Pr +mp-1018094,BaGaSnH,-3.629355905,-0.5420136894,0.0,-0.0085010075,GGA,P3m1,ABCD_hP4_156_b_a_a_c:Ba-Ga-H-Sn,4.0,ABCD_hP4_156_b_a_a_c:Ba-Ga-H-Sn +mp-1112065,K2ScAuCl6,-4.244221087,-1.9523841911,0.1169500217,0.1169500217,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sc +mp-989538,Cs2InBiF6,-4.677374159,-2.6921890181,0.0376899495,0.0376899495,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-In,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-In +mp-699648,Na2CrFeF7,-6.0314588949,-2.9270523459,0.0126305403,0.0126305403,GGA+U,C2/c,AB7CD2_mC176_15_cef_14f_2f_abde2f:Cr-F-Fe-Na,88.0,"Invalid WP multiplicities - AB7CD2_mC176_15_a2ef_53f_4f_2b2cd2e8f:Cr-F-Fe-Na, expected Na23Cr5Fe8F106 to be Na2CrFeF7" +mp-1218337,SrGd2BeO5,-9.9704988678,-3.4910994950000003,0.051931862,0.051931862,GGA,Pna2_1,AB2C5D_oP36_33_a_2a_5a_a:Be-Gd-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_33_a_2a_10a_a:Be-Gd-O-Sr, expected SrGd2BeO10 to be SrGd2BeO5" +mp-1208913,Sr2GdBeO5,-8.2518237117,-3.1487164263,0.0217313068,0.0217313068,GGA,Pnma,ABC5D2_oP36_62_c_c_3cd_d:Be-Gd-O-Sr,36.0,ABC5D2_oP36_62_c_c_3cd_d:Be-Gd-O-Sr +mp-998432,CaTcO3,-7.80810074,-2.3668397483,0.1090399465,0.0863502045,GGA,Cm,AB3C_mC10_8_a_ab_a:Ca-O-Tc,5.0,AB3C_cP5_221_a_c_b:Ca-O-Tc +mp-1188853,CaTcO3,-7.9171406865,-2.4758796947,0.0,-0.022689742,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-O-Tc,20.0,AB3C_oP20_62_c_cd_a:Ca-O-Tc +mp-998525,CaTcO3,-7.808188792,-2.3669278003,0.1089518945,0.0862621525,GGA,P4mm,AB3C_tP5_99_b_ac_a:Ca-O-Tc,5.0,AB3C_cP5_221_a_c_b:Ca-O-Tc +mp-998543,CaTcO3,-7.887651867,-2.4463908752,0.0294888195,0.0067990775,GGA,R3c,AB3C_hR30_161_a_b_a:Ca-O-Tc,10.0,AB3C_hR30_161_a_b_a:Ca-O-Tc +mp-1233194,CaCd4(TcO3)4,-6.6079357952,-1.5365082126,0.2506061105,0.2506061105,GGA,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Cd-O-Tc,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Cd-O-Tc +mp-1233776,CaCd4(TcO3)4,-6.6391749638,-1.5677473812,0.2193669419,0.2193669419,GGA,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Cd-O-Tc,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Cd-O-Tc +mp-1189283,Rb2Zn3S4,-3.6583243094,-1.1820911492,0.0,-0.0863146353,GGA,Ibam,A2B4C3_oI36_72_j_k_af:Rb-S-Zn,18.0,A2B4C3_oI36_72_j_k_af:Rb-S-Zn +mp-1219554,RbLiZnS2,-3.811901706,-1.3274816494,0.0,-0.0484255943,GGA,I-4m2,ABC2D_tI10_119_a_c_f_b:Li-Rb-S-Zn,5.0,ABC2D_tI10_119_a_c_f_b:Li-Rb-S-Zn +mp-1266176,Zn3Si4(NiO7)2,-6.9006823724,-2.2791859260000003,0.1213548448,0.1213548448,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Ni-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Ni-O-Si-Zn, expected Zn3Si5NiO27 to be Zn3Si4(NiO7)2" +mp-1364379,SiNiO4,-6.6883094633,-1.5229412042,0.5277221065000001,0.5277221065000001,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Ni-O-Si,72.0,AB4C_cI144_230_c_h_d:Ni-O-Si +mp-19072,Si(NiO2)2,-7.3680299564,-2.1148376371,0.0,-0.0178402007,GGA+U,Pnma,A2B4C_oP28_62_ac_2cd_c:Ni-O-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Ni-O-Si +mp-18766,Si(NiO2)2,-7.3412230957,-2.0880307764,0.0268068607,0.00896666,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Ni-O-Si,14.0,A2B4C_cF56_227_c_e_b:Ni-O-Si +mp-1043543,ZnSi4NiO10,-7.5690792914,-2.6810768212,0.1552792509,0.1552792509,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Ni-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Ni-O-Si-Zn, expected ZnSi4NiO22 to be ZnSi4NiO10" +mp-1043826,Si4NiO10,-7.6794828607,-2.5495964665,0.2314881112,0.2314881112,GGA+U,Ccce,AB10C4_oC120_68_h_ef4i_2i:Ni-O-Si,60.0,"Invalid WP multiplicities - AB10C4_oC120_68_h_2e3f12i_5i:Ni-O-Si, expected Si10NiO29 to be Si4NiO10" +mp-1325790,Si4NiO10,-7.695143851,-2.5652574568,0.2158271209,0.2158271209,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Ni-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Ni-O-Si, expected Si4NiO22 to be Si4NiO10" +mp-1257835,Zn3Si3(NiO6)2,-6.6535379713000005,-2.1047518305,0.1656652426,0.1656652426,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Ni-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Ni-O-Si-Zn +mp-1258028,ZnSi2NiO6,-7.3062023945,-2.5491375327,0.0282129292,0.0282129292,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ni-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Ni-O-Si-Zn +mp-1041852,ZnSi2NiO6,-7.2796860744,-2.5226212126,0.0547292494,0.0547292494,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Ni-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Ni-O-Si-Zn, expected ZnSi8NiO41 to be ZnSi2NiO6" +mp-1215806,ZnSi2Ni3,-5.3261062712000005,-0.4176413196,0.0229727083,0.0229727083,GGA,P1,A3B2C_aP24_1_12a_8a_4a:Ni-Si-Zn,24.0,A3B2C_aP24_1_12a_8a_4a:Ni-Si-Zn +mp-1046661,ZnSiNiO5,-6.4291670719,-1.7793368373,0.2168392067,0.2168392067,GGA+U,C2/c,AB5CD_mC32_15_a_e2f_e_e:Ni-O-Si-Zn,16.0,AB5CD_mC32_15_c_e2f_e_e:Ni-O-Si-Zn +mp-1208620,Zn12SiNi4,-1.1326636974,1.4357356009,1.6650565799,1.6650565799,GGA,Fd-3m,A4BC12_cF136_227_e_a_g:Ni-Si-Zn,34.0,A4BC12_cF136_227_e_a_g:Ni-Si-Zn +mp-1215533,ZnSiNi2,-4.9439240825,-0.3825903325,0.0462324425,0.0462324425,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ni-Si-Zn,4.0,A2BC_tP4_123_h_a_b:Ni-Si-Zn +mp-1206365,ZnSiNi2,-4.9089395625000005,-0.3476058125,0.0812169625,0.0812169625,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Si-Zn,4.0,A2BC_cF16_225_c_a_b:Ni-Si-Zn +mp-1267080,Si2NiO6,-7.3456934663,-2.2000373543,0.2564155492,0.2564155492,GGA+U,P1,AB6C2_aP72_1_8a_48a_16a:Ni-O-Si,72.0,"Invalid WP multiplicities - AB6C2_mP72_4_7a_48a_14a:Ni-O-Si, expected Si14Ni7O48 to be Si2NiO6" +mp-1264292,Si2NiO6,-7.3778285644,-2.2321724525,0.224280451,0.224280451,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Ni-O-Si,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_11f_f:Ni-O-Si, expected Si2NiO22 to be Si2NiO6" +mp-1363556,Si2NiO6,-7.334381914,-2.1887258021,0.2677271014,0.2677271014,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Ni-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Ni-O-Si, expected Si8NiO41 to be Si2NiO6" +mp-17260,Zn3SiNi2,-3.7926568608,-0.3318531575,0.0,-0.0320350474,GGA,Fd-3m,A2BC3_cF96_227_e_c_f:Ni-Si-Zn,24.0,A2BC3_cF96_227_e_c_f:Ni-Si-Zn +mp-1209539,Rb3IrCl6O,-3.9810889684,-1.4521848712,0.1683412743,0.1683412743,GGA,Pnma,A6BCD3_oP44_62_2c2d_c_c_3c:Cl-Ir-O-Rb,44.0,A6BCD3_oP44_62_2c2d_c_c_3c:Cl-Ir-O-Rb +mp-1084770,K2BiAu,-2.7750761813,-0.4412839252,0.0,-0.0789874101,GGA,Cmcm,ABC2_oC16_63_a_c_g:Au-Bi-K,8.0,ABC2_oC16_63_a_c_g:Au-Bi-K +mp-1111995,K2BiAuBr6,-3.196022006,-1.3306881056,0.0909881049,0.0909881049,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Br-K +mp-555669,RbZrMnF7,-6.779103086,-3.5720428093,0.0,-0.0109599506,GGA+U,Cmcm,A7BCD_oC40_63_cf2g_c_a_c:F-Mn-Rb-Zr,20.0,"Invalid WP multiplicities - A7BCD_oC40_63_c3f6g_c_a_c:F-Mn-Rb-Zr, expected RbZrMnF19 to be RbZrMnF7" +mp-22020,Ca2NiOsO6,-7.3288965485,-2.2590129347,0.0,-0.0581223047,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ni-O-Os,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Ni-O-Os +mp-570462,Pr12Fe2I17,-4.5818631684,-1.3767618965,0.0,-0.0238829211,GGA,P-1,A2B17C12_aP31_2_i_a8i_6i:Fe-I-Pr,31.0,"Invalid WP multiplicities - A2B17C12_aP31_2_i_a16i_12i:Fe-I-Pr, expected Pr24Fe2I33 to be Pr12Fe2I17" +mp-1213658,CsPr6FeI10,-4.394864235,-1.4623908121,0.0,-0.0181263837,GGA,Pnma,ABC10D6_oP72_62_c_c_2c4d_2c2d:Cs-Fe-I-Pr,72.0,ABC10D6_oP72_62_c_c_2c4d_2c2d:Cs-Fe-I-Pr +mp-638650,Pr7FeI12,-4.461046646,-1.4802087612,0.001162774,0.001162774,GGA,R-3,AB12C7_hR60_148_a_2f_bf:Fe-I-Pr,20.0,"Invalid WP multiplicities - AB12C7_hR60_148_a_7f_b2f:Fe-I-Pr, expected Pr13FeI42 to be Pr7FeI12" +mp-1106013,MgHg3(Cl4O3)2,-3.1225721789,-0.5125862515,0.5097685042,0.5097685042,GGA,P-1,A8B3CD6_aP18_2_4i_ai_b_3i:Cl-Hg-Mg-O,18.0,A8B3CD6_aP18_2_4i_ai_b_3i:Cl-Hg-Mg-O +mp-1180457,MgHg3(Cl4O3)2,-2.9454262678000003,-0.3354403404,0.6869144153,0.6869144153,GGA,P-1,A8B3CD6_aP18_2_4i_bi_d_3i:Cl-Hg-Mg-O,18.0,A8B3CD6_aP18_2_4i_bi_d_3i:Cl-Hg-Mg-O +mp-1113614,Cs2AlAgF6,-5.022833845,-3.0390528068,0.0,-0.006608802,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Al-Cs-F,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Al-Cs-F +mp-561999,CsAlAgF6,-5.0184060761,-2.913694075,0.0,-0.0050809244,GGA,Pnma,ABCD6_oP36_62_c_a_c_2c2d:Ag-Al-Cs-F,36.0,"Invalid WP multiplicities - ABCD6_oP36_62_c_a_c_7c12d:Ag-Al-Cs-F, expected CsAlAgF31 to be CsAlAgF6" +mp-540586,Tl2SnO3,-5.4301373117,-1.5009832647,0.0,-0.0366169175,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:O-Sn-Tl,24.0,A3BC2_oP24_62_3c_c_2c:O-Sn-Tl +mp-1179240,Tl2Sn(GeO3)3,-6.3102971902,-1.8353545159,0.0606192866,0.0606192866,GGA,P-3c1,A3B9CD2_hP90_165_fg_f4g_bd_g:Ge-O-Sn-Tl,90.0,A3B9CD2_hP90_165_fg_f4g_bd_g:Ge-O-Sn-Tl +mp-1106325,CaCu3(PtO3)4,-6.0447961585,-1.1473952733,0.0691501533,0.0691501533,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Pt,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Pt +mp-560453,Ca7Cu(PtO6)2,-6.5604812236,-2.485893178,0.0165546433,0.0165546433,GGA,C2,A7BC12D2_mC44_5_a2b2c_a_6c_c:Ca-Cu-O-Pt,22.0,"Invalid WP multiplicities - A7BC12D2_mC44_5_a2b4c_a_10c_c:Ca-Cu-O-Pt, expected Ca11Cu(PtO10)2 to be Ca7Cu(PtO6)2" +mp-19794,EuSnP,-7.3784472667,-0.8184885461,0.0,-0.0404053613,GGA,P4/nmm,ABC_tP6_129_c_c_c:Eu-P-Sn,6.0,ABC_tP6_129_c_c_c:Eu-P-Sn +mp-1221199,Na4Eu2SnP4,-5.2958709141,-0.6170630363,0.0084347292,0.0084347292,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Eu-Na-P-Sn,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Eu-Na-P-Sn, expected Na7Eu4SnP7 to be Na4Eu2SnP4" +mp-18317,Na5SnP3,-3.3485114394,-0.3638330125,0.0,-0.0298332406,GGA,P2_1/c,A5B3C_mP36_14_5e_3e_e:Na-P-Sn,36.0,A5B3C_mP36_14_5e_3e_e:Na-P-Sn +mp-29529,NaSnP,-3.881182115,-0.29938223,0.0,-0.0456868992,GGA,P6_3mc,ABC_hP6_186_b_b_a:Na-P-Sn,6.0,ABC_hP6_186_b_b_a:Na-P-Sn +mp-1210796,Li2MnGeO4,-6.9417470809,-2.2680416153,0.0,-0.0310099947,GGA+U,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Ge-Li-Mn-O,32.0,AB2CD4_oP16_31_a_b_a_2ab:Ge-Li-Mn-O +mp-1219868,PrNdCo14B,-6.919627104,-0.1111039223,0.0011550499,0.0011550499,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Pr,68.0,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Pr +mp-1219752,PrNdCo10,-6.7432537333,-0.0239011385,0.0256920426,0.0256920426,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-Nd-Pr,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-Nd-Pr, expected PrNdCo12 to be PrNdCo10" +mp-1208889,Sr2DyTaO6,-8.5560487225,-3.6036803581,0.0,-0.0302537533,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Dy-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Dy-O-Sr-Ta +mp-1112161,Cs2RbBiI6,-2.892431866,-1.3472292613,0.050990795,0.050990795,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Rb +mp-1194506,CaRe3(Se2O3)2,-6.8586105111,-0.9298276816,0.8060077366,0.8060077366,GGA,P-1,AB6C3D4_aP28_2_i_6i_3i_4i:Ca-O-Re-Se,28.0,"Invalid WP multiplicities - AB6C3D4_aP28_2_i_12i_6i_7i:Ca-O-Re-Se, expected CaRe6Se7O12 to be CaRe3(Se2O3)2" +mp-1201990,Re3Se4O9,-6.5006739075,-0.5108347908,1.0914201944,1.0914201944,GGA,R-3m,A9B3C4_hR96_166_hi_h_ch:O-Re-Se,32.0,A9B3C4_hR96_166_hi_h_ch:O-Re-Se +mp-1201505,Re3Se4O3,-7.5512738745,-0.9355445146,0.347510484,0.347510484,GGA,Pa-3,A3B3C4_cP80_205_d_d_cd:O-Re-Se,80.0,A3B3C4_cP80_205_d_d_cd:O-Re-Se +mp-1368737,Zn2SnIrO6,-6.081279235,-1.5765166828,0.1511187925,0.1511187925,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ir-O-Sn-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_10e_b_e:Ir-O-Sn-Zn, expected Zn2SnIrO20 to be Zn2SnIrO6" +mp-1178219,HfNiO3,-8.918519201,-2.8030408323,0.0968432885,0.0968432885,GGA+U,P2_1/c,ABC3_mP20_14_e_ad_3e:Hf-Ni-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_2ab_9e:Hf-Ni-O, expected Hf2(NiO6)3 to be HfNiO3" +mp-1028376,HfMg14Ni,-2.3330325144,0.0507953862,0.1319620691,0.1319620691,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Ni, expected HfMg18Ni to be HfMg14Ni" +mp-1028337,HfMg14Ni,-2.314597305,0.0692305956,0.1503972785,0.1503972785,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Ni, expected HfMg26Ni to be HfMg14Ni" +mp-1021790,HfMg6Ni,-3.0960659294,0.0713098219,0.2150457236,0.2150457236,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Ni, expected HfMg12Ni to be HfMg6Ni" +mp-1099293,HfMg6Ni,-3.0501490463,0.117226705,0.2609626068,0.2609626068,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Ni,8.0,AB6C_oC16_38_a_2bde_a:Hf-Mg-Ni +mp-1031788,HfMg6NiO8,-6.7511902825,-2.6941580513,0.3502457802,0.3502457802,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Hf-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Hf-Mg-Ni-O, expected HfMg6NiO12 to be HfMg6NiO8" +mp-1031896,HfMg6NiO8,-6.7438334681,-2.6868012369,0.3576025945,0.3576025945,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Hf-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Hf-Mg-Ni-O, expected HfMg6NiO12 to be HfMg6NiO8" +mp-1034711,HfMg14NiO16,-6.528631185,-2.8633728791,0.1858491863,0.1858491863,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Hf-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Hf-Mg-Ni-O, expected HfMg18NiO20 to be HfMg14NiO16" +mp-1034688,HfMg14NiO16,-6.5245304253,-2.8592721194,0.189949946,0.189949946,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Hf-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Hf-Mg-Ni-O, expected HfMg30NiO32 to be HfMg14NiO16" +mp-1037256,HfMg30NiO32,-6.4253263323,-2.9559549891,0.0956761933,0.0956761933,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Hf-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Hf-Mg-Ni-O, expected HfMg110NiO72 to be HfMg30NiO32" +mp-1036918,HfMg30NiO32,-6.4266552683,-2.957283925,0.0943472574,0.0943472574,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Hf-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Hf-Mg-Ni-O, expected HfMg90NiO80 to be HfMg30NiO32" +mp-1096240,HfMgNi2,-3.5619317775,2.2175038325,2.6215426951,2.6215426951,GGA,Immm,ABC2_oI8_71_a_b_e:Hf-Mg-Ni,4.0,ABC2_oI8_71_a_b_e:Hf-Mg-Ni +mp-1344766,Zn2AgSbO6,-5.284830708,-1.3687130349,0.1121313888,0.1121313888,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Ag-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Ag-O-Sb-Zn, expected Zn2AgSbO16 to be Zn2AgSbO6" +mp-1213009,DyTl(MoO4)2,-8.0661985129,-2.3800118549,0.0,-0.011878936,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Dy-Mo-O-Tl,48.0,AB2C8D_oP48_60_c_d_4d_c:Dy-Mo-O-Tl +mp-755183,DyTlO2,-6.9312742325,-2.7155723802,0.0986064494,0.0986064494,GGA,R-3m,AB2C_hR12_166_a_c_b:Dy-O-Tl,4.0,AB2C_hR12_166_a_c_b:Dy-O-Tl +mp-1645095,CaCr(GeO3)2,-7.4621268777,-2.403643345,0.0619724828,0.0619724828,GGA+U,P-1,ABC2D6_aP20_2_i_i_2i_6i:Ca-Cr-Ge-O,40.0,"Invalid WP multiplicities - ABC2D6_aP20_2_i_i_4i_12i:Ca-Cr-Ge-O, expected CaCr(GeO3)4 to be CaCr(GeO3)2" +mp-1043192,CaCr(GeO3)2,-7.4504012897,-2.391917757,0.0736980708,0.0736980708,GGA+U,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ca-Cr-Ge-O,40.0,ABC2D6_mP40_14_e_e_2e_6e:Ca-Cr-Ge-O +mp-1043356,CaCr(GeO3)2,-7.4598116812,-2.4013281485,0.0642876793,0.0642876793,GGA+U,C2/c,ABC2D6_mC40_15_e_e_f_3f:Ca-Cr-Ge-O,40.0,ABC2D6_mC40_15_e_e_f_3f:Ca-Cr-Ge-O +mp-1048585,Ca3Cr2(GeO4)3,-7.6286951192,-2.7010829852,0.0,-0.0461862077,GGA+U,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Ca-Cr-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Ca-Cr-Ge-O +mp-756628,Li4NbO4,-6.5773530067,-2.4080473009,0.0917964467,0.0917964467,GGA,Cmcm,A4BC4_oC36_63_eg_c_fg:Li-Nb-O,18.0,"Invalid WP multiplicities - A4BC4_oC36_63_2eg_c_f2g:Li-Nb-O, expected Li6NbO6 to be Li4NbO4" +mp-755298,Li4NbO4,-6.5809022433,-2.4115965376,0.0882472101,0.0882472101,GGA,I4/m,A4BC4_tI18_87_h_a_h:Li-Nb-O,9.0,A4BC4_tI18_87_h_a_h:Li-Nb-O +mp-1213311,Li6NbO6,-6.2061611692,-2.265009284,0.1476567066,0.1476567066,GGA,C2/c,A6BC6_mC52_15_3f_c_3f:Li-Nb-O,26.0,"Invalid WP multiplicities - A6BC6_mC52_15_10f_c_10f:Li-Nb-O, expected Li20NbO20 to be Li6NbO6" +mp-758673,LiNb2O4,-8.7030881071,-2.7176184226,0.0600252175,0.0600252175,GGA,Pnnm,AB2C4_oP14_58_a_g_2g:Li-Nb-O,14.0,"Invalid WP multiplicities - AB2C4_oP14_58_a_g_3g:Li-Nb-O, expected LiNb2O6 to be LiNb2O4" +mp-706276,Li3Nb4O12,-8.3343586758,-2.7821348182000003,0.067467616,0.067467616,GGA,R3,A3B4C12_hR57_146_3a_4a_4b:Li-Nb-O,19.0,"Invalid WP multiplicities - A3B4C12_hR57_146_3a_4a_6b:Li-Nb-O, expected Li3Nb4O18 to be Li3Nb4O12" +mp-37399,Li7NbO6,-6.2066093443,-2.4106166747,0.0357484072,0.0357484072,GGA,R3,A7BC6_hR42_146_a2b_a_2b:Li-Nb-O,14.0,"Invalid WP multiplicities - A7BC6_hR42_146_a4b_a_4b:Li-Nb-O, expected Li13NbO12 to be Li7NbO6" +mp-772147,LiNb7O12,-9.2987289685,-2.6998128344,0.0343362307,0.0343362307,GGA,P2_1/c,AB7C12_mP80_14_e_7e_ac11e:Li-Nb-O,80.0,"Invalid WP multiplicities - AB7C12_mP80_14_e_25e_2a2c43e:Li-Nb-O, expected LiNb25O45 to be LiNb7O12" +mp-686160,Li17Nb20O60,-8.313353091,-2.8362488415,0.0342519818,0.0342519818,GGA,P1,A17B20C60_aP97_1_17a_20a_60a:Li-Nb-O,97.0,A17B20C60_aP97_1_17a_20a_60a:Li-Nb-O +mp-6456,LiNbGeO5,-7.7862693378,-2.6154319231,0.0,-0.0198581418,GGA,Pnma,ABCD5_oP32_62_c_a_c_3cd:Ge-Li-Nb-O,32.0,"Invalid WP multiplicities - ABCD5_oP32_62_c_a_c_5c4d:Ge-Li-Nb-O, expected LiNbGeO13 to be LiNbGeO5" +mp-674361,LiNbO3,-8.2602834186,-2.8902246105,0.0100564174,-0.014238098,GGA,P1,ABC3_aP50_1_10a_10a_30a:Li-Nb-O,50.0,ABC3_aP50_1_10a_10a_30a:Li-Nb-O +mp-675069,LiNbO3,-8.2634805929,-2.8934217848,0.0068592431,-0.0174352722,GGA,P1,ABC3_aP70_1_14a_14a_42a:Li-Nb-O,70.0,ABC3_aP70_1_14a_14a_42a:Li-Nb-O +mp-676694,LiNbO3,-8.2623245503,-2.8922657423,0.0080152857,-0.0162792297,GGA,P1,ABC3_aP60_1_12a_12a_36a:Li-Nb-O,60.0,ABC3_aP60_1_12a_12a_36a:Li-Nb-O +mp-686057,LiNbO3,-8.2594857327,-2.8894269247,0.0108541033,-0.0134404121,GGA,P1,ABC3_aP40_1_8a_8a_24a:Li-Nb-O,40.0,ABC3_aP40_1_8a_8a_24a:Li-Nb-O +mp-685413,LiNbO3,-8.1551621317,-2.7851033236,0.1151777043,0.0908831889,GGA,P1,ABC3_aP130_1_26a_26a_78a:Li-Nb-O,130.0,ABC3_aP130_1_26a_26a_78a:Li-Nb-O +mp-755559,LiNbO3,-8.215173666,-2.8451148579,0.05516617,0.0308716546,GGA,C2/m,ABC3_mC20_12_g_h_ij:Li-Nb-O,10.0,ABC3_mC20_12_g_h_ij:Li-Nb-O +mp-1196213,LiNbO3,-8.257009209,-2.8869504009,0.013330627,-0.0109638884,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:Li-Nb-O,40.0,ABC3_mP40_14_2e_2e_6e:Li-Nb-O +mp-760701,LiNbO3,-8.234432636,-2.8643738279,0.0359072,0.0116126846,GGA,C2/c,ABC3_mC40_15_2e_f_3f:Li-Nb-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_3e_f_5f:Li-Nb-O, expected Li3Nb2O10 to be LiNbO3" +mp-776108,LiNbO3,-8.2405032415,-2.8704444334,0.0298365945,0.0055420791,GGA,Pbcm,ABC3_oP40_57_cd_e_cd2e:Li-Nb-O,40.0,"Invalid WP multiplicities - ABC3_oP40_57_2c3d_e_2c4d7e:Li-Nb-O, expected Li5Nb2O20 to be LiNbO3" +mp-1078377,LiNbO3,-8.249632965,-2.8795741569,0.020706871,-0.0035876444,GGA,R-3,ABC3_hR30_148_c_c_f:Li-Nb-O,10.0,ABC3_hR30_148_c_c_f:Li-Nb-O +mp-3731,LiNbO3,-8.270339836,-2.9002810279,0.0,-0.0242945154,GGA,R3c,ABC3_hR30_161_a_a_b:Li-Nb-O,10.0,ABC3_hR30_161_a_a_b:Li-Nb-O +mp-552588,LiNbO3,-8.237331804,-2.8672729959,0.033008032,0.0087135166,GGA,R-3c,ABC3_hR30_167_a_b_e:Li-Nb-O,10.0,ABC3_hR30_167_a_b_e:Li-Nb-O +mp-772176,Li3Nb7O19,-8.7584505267,-2.88179572,0.0856918226,0.0856918226,GGA,P6_3/m,A3B7C19_hP58_176_g_bi_efh2i:Li-Nb-O,58.0,"Invalid WP multiplicities - A3B7C19_hP58_176_g_b2i_e2f6h11i:Li-Nb-O, expected Li3Nb13O90 to be Li3Nb7O19" +mp-28030,Li8Nb2O9,-6.8386429264,-2.6284223257,0.0,-0.0119802124,GGA,P-1,A8B2C9_aP76_2_16i_4i_18i:Li-Nb-O,76.0,"Invalid WP multiplicities - A8B2C9_aP76_2_16i_5i_22i:Li-Nb-O, expected Li16Nb5O22 to be Li8Nb2O9" +mp-686041,Li7Nb8O24,-8.2982574726,-2.8394515891000003,0.0361398675,0.0361398675,GGA,P1,A7B8C24_aP39_1_7a_8a_24a:Li-Nb-O,39.0,A7B8C24_aP39_1_7a_8a_24a:Li-Nb-O +mp-531409,Li7Nb8O24,-8.3059265806,-2.8471206971000003,0.0284707594,0.0284707594,GGA,P1,A7B8C24_aP78_1_14a_16a_48a:Li-Nb-O,78.0,A7B8C24_aP78_1_14a_16a_48a:Li-Nb-O +mp-686097,Li7Nb8O24,-8.2779846129,-2.8191787294,0.0564127271,0.0564127271,GGA,P-1,A7B8C24_aP78_2_7i_8i_24i:Li-Nb-O,78.0,"Invalid WP multiplicities - A7B8C24_aP78_2_13i_13i_48i:Li-Nb-O, expected Li13Nb13O48 to be Li7Nb8O24" +mp-772215,LiNb8O10,-9.3464823118,-2.3893112435,0.0792714099,0.0792714099,GGA,I4_1/amd,AB8C10_tI76_141_a_2h_c2h:Li-Nb-O,38.0,"Invalid WP multiplicities - AB8C10_tI76_141_a_13h_2c11h:Li-Nb-O, expected LiNb52O48 to be LiNb8O10" +mp-756137,Li3Nb6O11,-8.658567039,-2.6211583058,0.0894257656,0.0894257656,GGA,P-3m1,A3B6C11_hP20_164_ad_i_dfi:Li-Nb-O,20.0,"Invalid WP multiplicities - A3B6C11_hP20_164_ad_i_2d3f4i:Li-Nb-O, expected Li3Nb6O37 to be Li3Nb6O11" +mp-3924,LiNbO2,-8.16292041,-2.6870190777,0.0,-0.1124314308,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Li-Nb-O,8.0,ABC2_hP8_194_a_c_f:Li-Nb-O +mp-3368,LiNb3O8,-8.9636845396,-2.9814888999,0.0,-0.0025552723,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:Li-Nb-O,48.0,AB3C8_mP48_14_e_3e_8e:Li-Nb-O +mp-772535,LiNb13O33,-9.3170635681,-3.0092632307,0.012159296,0.012159296,GGA,C2/m,AB13C33_mC94_12_c_b6i_a16i:Li-Nb-O,47.0,"Invalid WP multiplicities - AB13C33_mC94_12_c_a12i_b32i:Li-Nb-O, expected LiNb25O65 to be LiNb13O33" +mp-772216,LiNb8O14,-9.3271815733,-2.7196596105,0.0359234535,0.0359234535,GGA,Pbam,AB8C14_oP46_55_b_ghi_acgh2i:Li-Nb-O,46.0,"Invalid WP multiplicities - AB8C14_oP46_55_b_3g4h2i_2a2c4g4h6i:Li-Nb-O, expected LiNb22O44 to be LiNb8O14" +mp-766084,Li7Nb12O24,-8.6078198956,-2.7171536254,0.043629631,0.043629631,GGA,P-1,A7B12C24_aP43_2_a3i_6i_12i:Li-Nb-O,43.0,"Invalid WP multiplicities - A7B12C24_aP43_2_a4i_10i_23i:Li-Nb-O, expected Li9Nb20O46 to be Li7Nb12O24" +mp-686230,Li20Nb19O60,-8.0858247133,-2.7635562712,0.0568960905,0.0568960905,GGA,P1,A20B19C60_aP198_1_40a_38a_120a:Li-Nb-O,198.0,A20B19C60_aP198_1_40a_38a_120a:Li-Nb-O +mp-774697,Li8NbO6,-5.9312046547,-2.2610166386,0.0636984147,0.0636984147,GGA,P-1,A8BC6_aP15_2_4i_a_3i:Li-Nb-O,15.0,"Invalid WP multiplicities - A8BC6_aP15_2_7i_a_5i:Li-Nb-O, expected Li14NbO10 to be Li8NbO6" +mp-676591,Li11Nb12O36,-8.2705139942,-2.8417918651000003,0.0421689377,0.0421689377,GGA,P1,A11B12C36_aP59_1_11a_12a_36a:Li-Nb-O,59.0,A11B12C36_aP59_1_11a_12a_36a:Li-Nb-O +mp-756168,Li2Nb4O11,-8.6938224941,-2.891667099,0.0659371326,0.0659371326,GGA,C2/m,A2B4C11_mC34_12_i_2i_a5i:Li-Nb-O,17.0,"Invalid WP multiplicities - A2B4C11_mC34_12_i_3i_a9i:Li-Nb-O, expected Li2Nb6O19 to be Li2Nb4O11" +mp-772073,Li2Nb4O11,-8.71627629,-2.9141208949,0.0434833368,0.0434833368,GGA,C2/c,A2B4C11_mC68_15_f_cef_e5f:Li-Nb-O,34.0,"Invalid WP multiplicities - A2B4C11_mC68_15_f_2ce3f_2e17f:Li-Nb-O, expected Li2Nb9O36 to be Li2Nb4O11" +mp-772085,LiNb10O18,-9.386200265,-2.7668081936,0.0183390068,0.0183390068,GGA,P2_1/c,AB10C18_mP58_14_a_5e_9e:Li-Nb-O,58.0,"Invalid WP multiplicities - AB10C18_mP58_14_a_19e_35e:Li-Nb-O, expected LiNb38O70 to be LiNb10O18" +mp-772212,LiNb5O8,-9.1538346761,-2.5831948363,0.0805282324,0.0805282324,GGA,P2_1/c,AB5C8_mP56_14_e_5e_8e:Li-Nb-O,56.0,"Invalid WP multiplicities - AB5C8_mP56_14_e_17e_29e:Li-Nb-O, expected LiNb17O29 to be LiNb5O8" +mp-770649,Li5NbO5,-6.5772636027,-2.5427760637,0.0084098556,0.0084098556,GGA,C2/m,A5BC5_mC22_12_c2i_a_b2i:Li-Nb-O,11.0,"Invalid WP multiplicities - A5BC5_mC22_12_c4i_b_a4i:Li-Nb-O, expected Li9NbO9 to be Li5NbO5" +mp-770799,Li5NbO5,-6.5686919255,-2.5342043864,0.0169815328,0.0169815328,GGA,C2/c,A5BC5_mC44_15_e2f_e_e2f:Li-Nb-O,22.0,"Invalid WP multiplicities - A5BC5_mC44_15_2e7f_e_e8f:Li-Nb-O, expected Li16NbO17 to be Li5NbO5" +mp-531722,Li5Nb6O18,-8.318821155,-2.8294128317,0.0376649796,0.0376649796,GGA,P1,A5B6C18_aP58_1_10a_12a_36a:Li-Nb-O,58.0,A5B6C18_aP58_1_10a_12a_36a:Li-Nb-O +mp-1025455,LiNb2O,-7.4893838025,-0.724828388,0.6863501408,0.6863501408,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Li-Nb-O,8.0,AB2C_hP8_194_c_f_a:Li-Nb-O +mp-36086,Li3NbO4,-7.1023653912,-2.6505118306,0.0672211009,0.0345477247,GGA,I4/mmm,A3BC4_tI16_139_ad_b_ce:Li-Nb-O,8.0,A3BC4_tI16_139_ad_b_ce:Li-Nb-O +mp-31488,Li3NbO4,-7.1695864922,-2.7177329316,0.0,-0.0326733763,GGA,I-43m,A3BC4_cI64_217_g_c_cg:Li-Nb-O,32.0,"Invalid WP multiplicities - A3BC4_cI64_217_g_c_c2g:Li-Nb-O, expected Li3NbO7 to be Li3NbO4" +mp-530846,Li15Nb16O48,-8.2872044076,-2.8733337522,0.0147587532,0.0147587532,GGA,R3,A15B16C48_hR237_146_3a4b_4a4b_16b:Li-Nb-O,79.0,"Invalid WP multiplicities - A15B16C48_hR237_146_3a4b_4a5b_42b:Li-Nb-O, expected Li15Nb19O126 to be Li15Nb16O48" +mp-781626,Li2NbO3,-7.4007468267,-2.6075440088,0.0999509715,0.0999509715,GGA,C2/c,A2BC3_mC24_15_2e_e_cf:Li-Nb-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_15_3e_e_2a3f:Li-Nb-O, expected Li3NbO8 to be Li2NbO3" +mp-1222640,Li2NbO3,-7.07522194,-2.2820191222,0.4254758581,0.4254758581,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Li-Nb-O,6.0,A2BC3_hP6_164_d_a_bd:Li-Nb-O +mp-530514,Li17Nb18O54,-8.2854876045,-2.8765396285,0.0129223737,0.0129223737,GGA,P1,A17B18C54_aP89_1_17a_18a_54a:Li-Nb-O,89.0,A17B18C54_aP89_1_17a_18a_54a:Li-Nb-O +mp-1225020,FeCu(RhS2)4,-6.0662614593,-0.7006858668,0.0438148431,0.0438148431,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Cu-Fe-Rh-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Cu-Fe-Rh-S +mp-1224742,Fe2CuRh3S8,-6.1340345471,-0.6894794304,0.0611195715,0.0611195715,GGA,R3m,AB2C3D8_hR42_160_a_2a_b_2a2b:Cu-Fe-Rh-S,14.0,AB2C3D8_hR42_160_a_2a_b_2a2b:Cu-Fe-Rh-S +mp-1199583,Nd12(ReC3)5,-8.3094052503,-0.2509556409,0.0,-0.0174262795,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Nd-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Nd-Re +mp-864686,Nd2ReC2,-8.3533031625,-0.2656725555,0.0,-0.051523742,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Nd-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Nd-Re +mp-1025210,Nd2Re2Si2C,-8.32957813,-0.5431994461,0.0,-0.0344907936,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Nd-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Nd-Re-Si +mp-1205793,NdRe2SiC,-9.283732432,-0.421495367,0.0,-0.0325214025,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Nd-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Nd-Re-Si +mp-505513,Nd(Re2Si)2,-9.7709647596,-0.4285515836,0.0,-0.107912362,GGA,Pnnm,AB4C2_oP28_58_g_4g_2g:Nd-Re-Si,28.0,AB4C2_oP28_58_g_4g_2g:Nd-Re-Si +mp-22401,Nd2Re3Si5,-7.927640649,-0.5279939920000001,0.0,-0.023489343,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Nd-Re-Si,40.0,"Invalid WP multiplicities - A2B3C5_tP40_128_h_dh_2e3gh:Nd-Re-Si, expected Nd2Re3Si10 to be Nd2Re3Si5" +mp-1229034,Al2Co3GeO8,-7.3968135036,-2.1816247471,0.094895445,0.094895445,GGA+U,Imm2,A2B3CD8_oI28_44_c_ad_b_2c2d:Al-Co-Ge-O,14.0,A2B3CD8_oI28_44_c_ad_b_2c2d:Al-Co-Ge-O +mp-1113047,Cs2KScBr6,-4.026769892,-2.1715856144,0.009941357,0.009941357,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Sc +mp-1110784,Rb2AgMoF6,-5.30388444,-2.5930696337,0.0,-0.0244281117,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mo-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mo-Rb +mp-20856,Eu(FeP3)4,-6.9803567706,-0.5629028459000001,0.0,-0.0158822424,GGA,Im-3,AB4C12_cI34_204_a_c_g:Eu-Fe-P,17.0,AB4C12_cI34_204_a_c_g:Eu-Fe-P +mp-1225377,Eu2FeP3Pt7,-7.5234547685,-0.7756189554,0.0,-0.02858642,GGA,I-4m2,A2BC3D7_tI26_119_e_a_ce_be2f:Eu-Fe-P-Pt,13.0,"Invalid WP multiplicities - A2BC3D7_tI26_119_e_a_ce_be3f:Eu-Fe-P-Pt, expected Eu2Fe(PPt3)3 to be Eu2FeP3Pt7" +mp-20095,Eu(FeP)2,-8.498779486,-0.8940496393,0.0,-0.2034741563,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Fe-P,5.0,AB2C2_tI10_139_a_d_e:Eu-Fe-P +mp-1111989,K2ScHgBr6,-3.552387144,-1.7348754096,0.0928592115,0.0928592115,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Sc +mp-1184148,ErBeO3,-7.517869266,-2.8884297042,0.3818958121,0.3818958121,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Er-O,5.0,ABC3_cP5_221_b_a_c:Be-Er-O +mp-14420,Er2Be2GeO7,-7.9478702829,-3.2925276009,0.0041414397,0.0041414397,GGA,P-42_1m,A2B2CD7_tP24_113_e_e_a_cef:Be-Er-Ge-O,24.0,"Invalid WP multiplicities - A2B2CD7_tP24_113_e_e_a_ce2f:Be-Er-Ge-O, expected Er2Be2GeO11 to be Er2Be2GeO7" +mp-1102924,NaAlH4,-3.3343359583,-0.2278350744,0.022088785,0.0033269115,GGA,Cmc2_1,AB4C_oC24_36_a_4a_a:Al-H-Na,12.0,AB4C_oC24_36_a_4a_a:Al-H-Na +mp-23704,NaAlH4,-3.3564247433,-0.2499238594,0.0,-0.0187618735,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Al-H-Na,12.0,AB4C_tI24_88_a_f_b:Al-H-Na +mp-24822,Na5Al3H14,-3.2343082134,-0.2639664594,0.0,-0.0014151709,GGA,P4/mnc,A3B14C5_tP44_128_ac_ehi_bg:Al-H-Na,44.0,A3B14C5_tP44_128_ac_ehi_bg:Al-H-Na +mp-1210113,NaAlH2,-2.8559767325000003,0.1074115709,0.3388317404,0.3388317404,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Al-H-Na,16.0,AB2C_tI32_141_c_h_d:Al-H-Na +mp-1210172,NaAlH2,-2.90375769,0.0596306134,0.2910507829,0.2910507829,GGA,I4_1/amd,AB2C_tI32_141_c_g_d:Al-H-Na,16.0,AB2C_tI32_141_c_g_d:Al-H-Na +mp-23705,Na3AlH6,-3.0846550015,-0.2777042035,0.0,-0.0109060223,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Al-H-Na,20.0,AB6C3_mP20_14_a_3e_be:Al-H-Na +mp-568950,Na3AlH6,-3.0714119024,-0.2644611043,0.0132430991,0.0023370768,GGA,Pbcm,AB6C3_oP80_57_cd_2d5e_3e:Al-H-Na,80.0,"Invalid WP multiplicities - AB6C3_oP80_57_3c3d_7d33e_22e:Al-H-Na, expected Na44Al6H73 to be Na3AlH6" +mp-989642,Cs2NaAlH6,-3.041490223,-0.3199640092,0.0,-0.080968959,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-H-Na +mp-2898,Ca(AuO2)2,-5.5155312936000005,-1.4669429043,0.0,-0.1946007707,GGA,I4_1/a,A2BC4_tI28_88_c_b_f:Au-Ca-O,14.0,A2BC4_tI28_88_c_b_f:Au-Ca-O +mp-1233287,Cs7CaAu5O2,-2.8860624987,-0.5836489049,0.3124374727,0.3124374727,GGA,Cm,A5BC7D2_mC30_8_5a_a_a3b_b:Au-Ca-Cs-O,15.0,"Invalid WP multiplicities - A5BC7D2_mC30_8_5a_a_a5b_b:Au-Ca-Cs-O, expected Cs11CaAu5O2 to be Cs7CaAu5O2" +mp-7774,Na2SbAu,-3.02129037,-0.5093069133,0.0,-0.0895738976,GGA,Cmcm,AB2C_oC16_63_a_g_c:Au-Na-Sb,8.0,AB2C_oC16_63_a_g_c:Au-Na-Sb +mp-1111412,Na2SbAuF6,-4.276863174,-2.1251824108,0.4680331065,0.4680331065,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Sb +mp-1219213,Sm2ScTaO7,-9.4533539873,-3.7938776251,0.0149869318,0.0149869318,GGA,Imma,A7BC2D_oI44_74_3ej_a_bc_d:O-Sc-Sm-Ta,22.0,"Invalid WP multiplicities - A7BC2D_oI44_74_5e4j_a_bc_d:O-Sc-Sm-Ta, expected Sm2ScTaO21 to be Sm2ScTaO7" +mp-1110657,Na2LiSbF6,-4.7730688390000005,-2.7578839891,0.180381917,0.180381917,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Sb +mp-1209408,Sm23Mg4Pt7,-5.1981620796,-0.5679698871000001,0.0,-0.0030162038,GGA,P6_3mc,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Pt-Sm,68.0,A4B7C23_hP68_186_ac_b2c_ab7c:Mg-Pt-Sm +mp-16645,SmMgPt,-5.0484568089,-0.9184569739,0.0,-0.1024660643,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Pt-Sm,9.0,ABC_hP9_189_f_bc_g:Mg-Pt-Sm +mp-1208919,Sm2MgPtO6,-7.5686040435,-2.8897322527,0.0031902311,0.0031902311,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mg-O-Pt-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Mg-O-Pt-Sm +mp-1208870,Sm4MgPt,-4.9042522908,-0.4799593058,0.0,-0.0059434295,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Pt-Sm,24.0,ABC4_cF96_216_e_e_efg:Mg-Pt-Sm +mp-683875,TeS7Br2,-4.085477474,-0.5650263119,0.0035240868,-0.3444468631,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Br-S-Te,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_4c15d_c:Br-S-Te, expected TeS34Br5 to be TeS7Br2" +mp-1201162,TeS7Br2,-4.0890015607,-0.5685503986,0.0,-0.3479709498,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Br-S-Te,40.0,A2B7C_oP40_62_2c_c3d_c:Br-S-Te +mp-1213133,CuTeSBr,-3.7291927088,-0.4961950187,0.0944684363,0.0944684363,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Br-Cu-S-Te,16.0,ABCD_mP16_14_e_e_e_e:Br-Cu-S-Te +mp-554066,Ba3Lu2Zn5O11,-6.26946768,-2.6737000736,0.0016842998,0.0016842998,GGA,F-43m,A3B2C11D5_cF168_216_f_e_ab2eh_eg:Ba-Lu-O-Zn,42.0,"Invalid WP multiplicities - A3B2C11D5_cF168_216_f_e_ab7e7h_4e5g:Ba-Lu-O-Zn, expected Ba3Lu2Zn23O57 to be Ba3Lu2Zn5O11" +mp-1215669,Zr3TePb4O13,-7.6616304295,-2.5214423672,0.0,-0.0019933667,GGA,R3m,A13B4CD3_hR63_160_a4b_ab_a_b:O-Pb-Te-Zr,21.0,"Invalid WP multiplicities - A13B4CD3_hR63_160_a12b_ab_a_b:O-Pb-Te-Zr, expected Zr3TePb4O37 to be Zr3TePb4O13" +mp-1189342,Zr5TePb3,-6.7085925083,-0.3730647024,0.0,-0.0145664181,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Pb-Te-Zr,18.0,A3BC5_hP18_193_g_b_dg:Pb-Te-Zr +mp-1114129,Rb2YInBr6,-4.008853493,-1.9591141962,0.016793707,0.016793707,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-In-Rb-Y +mp-23003,Ce2BiO2,-8.001894026,-2.8818850535,0.0,-0.1162337762,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Bi-Ce-O,5.0,AB2C2_tI10_139_a_e_d:Bi-Ce-O +mp-1213954,CeBiRh,-6.4556978092,-0.7430690908,0.0,-0.0700904131,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Ce-Rh,12.0,ABC_oP12_62_c_c_c:Bi-Ce-Rh +mp-1227635,CeBi2(Rh2O5)3,-7.1072572984,-1.6072470774,0.014524332,0.014524332,GGA,Pm,A2BC15D6_mP96_6_2a3c_2bc_2a2b28c_12c:Bi-Ce-O-Rh,96.0,"Invalid WP multiplicities - A2BC15D6_mP96_6_2a3c_2bc_2a2b52c_24c:Bi-Ce-O-Rh, expected CeBi2(Rh4O9)3 to be CeBi2(Rh2O5)3" +mp-1200659,CeRh2O5,-7.8198455806,-2.1454520242,0.0141788572,0.0141788572,GGA,Pnma,AB5C2_oP32_62_c_c2d_d:Ce-O-Rh,32.0,AB5C2_oP32_62_c_c2d_d:Ce-O-Rh +mp-606121,Ce2Bi5Rh3,-5.79396347,-0.477808713,0.0473947194,0.0473947194,GGA,Cmc2_1,A5B2C3_oC40_36_5a_2a_3a:Bi-Ce-Rh,20.0,"Invalid WP multiplicities - A5B2C3_oC40_36_9a_3a_6a:Bi-Ce-Rh, expected CeBi3Rh2 to be Ce2Bi5Rh3" +mp-1213826,CeRhO3,-8.1817845965,-2.5542919648,0.169235691,0.169235691,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ce-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Ce-O-Rh +mp-1219164,Sm2MnRhO6,-8.307637187,-2.7432744170000003,0.017539729,0.017539729,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mn-O-Rh-Sm,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_5e_b_e:Mn-O-Rh-Sm, expected Sm2MnRhO10 to be Sm2MnRhO6" +mp-23602,TaBi4ClO8,-7.0445574796,-2.1415731582,0.0,-0.0041467742,GGA,Pbcn,A4BC8D_oP56_60_2d_a_4d_c:Bi-Cl-O-Ta,56.0,"Invalid WP multiplicities - A4BC8D_oP56_60_5d_a_5d_c:Bi-Cl-O-Ta, expected TaBi10ClO10 to be TaBi4ClO8" +mp-558314,TaBi4ClO8,-6.974739275,-2.0717549536,0.0698182046,0.0656714304,GGA,P4/mmm,A4BC8D_tP14_123_gh_c_egi_b:Bi-Cl-O-Ta,14.0,"Invalid WP multiplicities - A4BC8D_tP14_123_gh_c_e2g2i_b:Bi-Cl-O-Ta, expected TaBi4ClO14 to be TaBi4ClO8" +mp-1195822,CsNb2PSe10,-5.3187211343,-0.9279761532,0.0,-0.0099617256,GGA,Pc,AB2CD10_mP56_7_2a_4a_2a_20a:Cs-Nb-P-Se,56.0,AB2CD10_mP56_7_2a_4a_2a_20a:Cs-Nb-P-Se +mp-1190712,Ba3UMnSe6,-5.9230490264,-1.6334291184,0.1589650747,0.1589650747,GGA,R-3c,A3BC6D_hR66_167_e_b_f_a:Ba-Mn-Se-U,22.0,A3BC6D_hR66_167_e_b_f_a:Ba-Mn-Se-U +mp-1196352,Pr6InFe13,-7.1119185505,-0.034548851,0.0200965187,0.0200965187,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Pr,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-In-Pr +mp-1190927,Pr3InFeS7,-6.2531631704,-1.7098655643,0.0626957656,0.0626957656,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Fe-In-Pr-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Fe-In-Pr-S +mp-13241,MgSi7Ir3,-6.4832302532,-0.4747930895,0.0,-0.0078423189,GGA,R-3c,A3BC7_hR66_167_e_b_af:Ir-Mg-Si,22.0,"Invalid WP multiplicities - A3BC7_hR66_167_e_b_a2f:Ir-Mg-Si, expected MgSi13Ir3 to be MgSi7Ir3" +mp-22250,Mg2SiB2Ir5,-7.2233189035,-0.6056356463,0.0,-0.1326433808,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Si,20.0,"Invalid WP multiplicities - A2B5C2D_tP20_127_g_2c2j_g_a:B-Ir-Mg-Si, expected Mg2Si(BIr5)2 to be Mg2SiB2Ir5" +mp-866086,MgSiIr2,-6.7221089625,-0.5464923525000001,0.0,-0.026888484,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mg-Si,4.0,A2BC_cF16_225_c_a_b:Ir-Mg-Si +mp-568029,Mg15Si2Ir5,-4.0110503882,-0.4180045832,0.0,-0.0799715568,GGA,P4_2/n,A5B15C2_tP88_86_e2g_c7g_g:Ir-Mg-Si,88.0,"Invalid WP multiplicities - A5B15C2_tP88_86_4e10g_3c51g_g:Ir-Mg-Si, expected Mg105(SiIr12)2 to be Mg15Si2Ir5" +mp-1017377,Mg6SiB,-2.5173100187,0.1959887439,0.2783240168,0.2783240168,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Si,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Si +mp-1017427,Mg6SiB,-2.4674377025,0.2458610601,0.3281963331,0.3281963331,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Si +mp-1026711,Mg14SiB,-1.9860650425,0.1707243638,0.222888146,0.222888146,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Si, expected Mg18SiB to be Mg14SiB" +mp-1026687,Mg14SiB,-1.9699866056,0.1868028007,0.2389665829,0.2389665829,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Si, expected Mg26SiB to be Mg14SiB" +mp-569313,Mg3Si8Ir3,-5.7674588714,-0.430409805,0.0,-0.0297740761,GGA,F-43m,A3B3C8_cF112_216_f_ace_eh:Ir-Mg-Si,28.0,"Invalid WP multiplicities - A3B3C8_cF112_216_f_ac2e_4e4h:Ir-Mg-Si, expected Mg5Si32Ir3 to be Mg3Si8Ir3" +mp-567224,Mg(SiB6)2,-6.2780898288,-0.1045153382,0.0,-0.0169986312,GGA,Pnma,A12BC2_oP60_62_4c4d_c_2c:B-Mg-Si,60.0,"Invalid WP multiplicities - A12BC2_oP60_62_16c29d_c_4c:B-Mg-Si, expected Mg(Si2B37)2 to be Mg(SiB6)2" +mp-1192232,Sm3GaNiS7,-6.0914339788,-1.7648389641,0.0355221592,0.0355221592,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Ga-Ni-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Ga-Ni-S-Sm +mp-18177,Ba3NbAs3O,-5.8658166209,-1.5180323977,0.0,-0.1105616722,GGA,Pnma,A3B3CD_oP32_62_cd_cd_c_c:As-Ba-Nb-O,32.0,A3B3CD_oP32_62_cd_cd_c_c:As-Ba-Nb-O +mp-2223054,MgCd2(CoO3)2,-5.8396480009000005,-1.5357545984,0.1365060882,0.1365060882,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Cd-Co-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Cd-Co-Mg-O +mp-2218080,MgCd2(CoO3)2,-5.8087294582,-1.5048360557,0.1674246309,0.1674246309,GGA+U,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Cd-Co-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_hR33_146_2a_2a_a_4b:Cd-Co-Mg-O, expected MgCd2(CoO6)2 to be MgCd2(CoO3)2" +mp-2218044,MgCd2(CoO3)2,-5.8251756109,-1.5212822084000002,0.1509784782,0.1509784782,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Cd-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Cd-Co-Mg-O +mp-2217908,MgCd2(CoO3)2,-5.7945210373,-1.4906276348,0.1816330518,0.1816330518,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Cd-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Cd-Co-Mg-O +mp-1035067,Mg14CdCoO16,-6.2243149616,-2.799872848,0.038060193,0.038060193,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cd-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cd-Co-Mg-O, expected Mg18CdCoO20 to be Mg14CdCoO16" +mp-1035013,Mg14CdCoO16,-6.2053909203,-2.7809488067,0.0569842343,0.0569842343,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cd-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cd-Co-Mg-O, expected Mg30CdCoO32 to be Mg14CdCoO16" +mp-1028399,Mg14CdCo,-1.84833958,0.0538559359,0.0957825602,0.0957825602,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Co-Mg, expected Mg18CdCo to be Mg14CdCo" +mp-1028393,Mg14CdCo,-1.857681035,0.0445144809,0.0864411052,0.0864411052,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Co-Mg, expected Mg26CdCo to be Mg14CdCo" +mp-768578,CdCoO3,-5.7279366195,-1.1536818817,0.0521113921,0.0521113921,GGA+U,C2/c,ABC3_mC40_15_f_2e_3f:Cd-Co-O,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_4e_3f:Cd-Co-O, expected CdCo2O3 to be CdCoO3" +mp-752746,CdCoO3,-5.674122783,-1.0998680452,0.1059252286,0.1059252286,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Cd-Co-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Cd-Co-O, expected CdCoO7 to be CdCoO3" +mp-768909,Sr(IO3)2,-5.3564589861,-1.5435302727,0.0087516514,-0.1166599026,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:I-O-Sr,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:I-O-Sr, expected SrI5O21 to be Sr(IO3)2" +mp-1105581,SrI2O,-3.614301135,-1.2185724189,0.6109960087,0.6109960087,GGA,Pnma,A2BC_oP16_62_2c_c_c:I-O-Sr,16.0,A2BC_oP16_62_2c_c_c:I-O-Sr +mp-1179200,SrI2O,-4.0067116113,-1.6109828951,0.2185855325,0.2185855325,GGA,Pnma,A2BC_oP16_62_2c_c_c:I-O-Sr,16.0,A2BC_oP16_62_2c_c_c:I-O-Sr +mp-1209401,Sr5Re3IO15,-7.779610259,-2.7189958489,0.0,-0.0840632512,GGA,Pnma,AB15C3D5_oP96_62_c_c7d_cd_c2d:I-O-Re-Sr,96.0,AB15C3D5_oP96_62_c_c7d_cd_c2d:I-O-Re-Sr +mp-731457,SrI2O7,-5.119738511,-1.1934337978,0.2036199339,0.2036199339,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:I-O-Sr,20.0,A2B7C_mC40_15_f_e3f_e:I-O-Sr +mp-1179560,SrI2O15,-4.4140806461,-0.0342719338,0.7418690283,0.7418690283,GGA,P-1,A2B15C_aP36_2_2i_15i_i:I-O-Sr,36.0,A2B15C_aP36_2_2i_15i_i:I-O-Sr +mp-1198471,SrI2O15,-4.6408321903,-0.2610234779,0.5151174841,0.5151174841,GGA,P-1,A2B15C_aP36_2_2i_15i_i:I-O-Sr,36.0,A2B15C_aP36_2_2i_15i_i:I-O-Sr +mp-689810,SrIO,-4.6152082692,-1.912025431,0.4237185913,0.4237185913,GGA,Pnma,ABC_oP12_62_c_c_c:I-O-Sr,12.0,ABC_oP12_62_c_c_c:I-O-Sr +mp-1195789,Sr5(IO6)2,-6.0796438271,-2.3557246428,0.0,-0.2757626146,GGA,R-3c,A2B12C5_hR342_167_bce_6f_ac2f:I-O-Sr,114.0,A2B12C5_hR342_167_bce_6f_ac2f:I-O-Sr +mp-1110846,K3BiF6,-4.734659556,-2.8706035784,0.0738426392,0.0738426392,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-F-K,10.0,AB6C3_cF40_225_a_e_bc:Bi-F-K +mp-1106389,KBiF6,-4.5833003075,-2.5308300723,0.0025788956,-0.1931536015,GGA,P-4c2,AB6C_tP16_116_a_ej_d:Bi-F-K,16.0,AB6C_tP16_116_a_ej_d:Bi-F-K +mp-557724,KBiF6,-4.5858792031,-2.5334089679,0.0,-0.1957324971,GGA,P4_2/mcm,AB6C_tP16_132_a_io_d:Bi-F-K,16.0,"Invalid WP multiplicities - AB6C_tP16_132_a_4i4o_d:Bi-F-K, expected KBiF24 to be KBiF6" +mp-504669,KBiF6,-4.5858786609,-2.5334084257,5.422e-07,-0.1957319549,GGA,Ia-3,AB6C_cI64_206_a_e_b:Bi-F-K,32.0,AB6C_cI64_206_a_e_b:Bi-F-K +mp-676778,KBiF4,-4.85809454,-2.7586272155,0.1454130352,0.1454130352,GGA,Cm,AB4C_mC24_8_2a_8a_2a:Bi-F-K,12.0,AB4C_mC24_8_2a_8a_2a:Bi-F-K +mp-581857,KBiF4,-4.9622149292,-2.8627476047,0.041292646,0.041292646,GGA,Fd-3m,AB4C_cF96_227_c_abf_d:Bi-F-K,24.0,"Invalid WP multiplicities - AB4C_cF96_227_c_2a2b4f_d:Bi-F-K, expected KBiF14 to be KBiF4" +mp-675978,K2Bi3F11,-4.9498657112,-2.7768323408,0.1059392145,0.1059392145,GGA,P1,A3B11C2_aP16_1_3a_11a_2a:Bi-F-K,16.0,A3B11C2_aP16_1_3a_11a_2a:Bi-F-K +mp-561290,K2BiF5,-4.8989128741,-2.9465776414,0.0,-0.0576122045,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Bi-F-K,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_9c6d_d:Bi-F-K, expected K2BiF21 to be K2BiF5" +mp-1110833,K2NaBiF6,-4.78905247,-2.9037838578,0.0411809662,0.0411809662,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Na +mp-1211670,KBi3F10,-5.1230443764,-2.8554260899,0.0,-0.0199374071,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Bi-F-K,28.0,A3B10C_cF112_225_e_fh_c:Bi-F-K +mp-675250,KBi2F7,-4.9816969145000005,-2.7645239166,0.1054864216,0.1054864216,GGA,P1,A2B7C_aP20_1_4a_14a_2a:Bi-F-K,20.0,A2B7C_aP20_1_4a_14a_2a:Bi-F-K +mp-675634,KBi2F7,-5.01799687,-2.8008238721,0.0691864661,0.0691864661,GGA,P1,A2B7C_aP10_1_2a_7a_a:Bi-F-K,10.0,A2B7C_aP10_1_2a_7a_a:Bi-F-K +mp-560176,K2NaAl3F12,-5.7414266969,-3.6459934588,0.0,-0.00561634,GGA,P2_1/m,A3B12C2D_mP36_11_ade_4e4f_2e_e:Al-F-K-Na,36.0,"Invalid WP multiplicities - A3B12C2D_mP36_11_2a2be_7e15f_4e_e:Al-F-K-Na, expected K4NaAl5F37 to be K2NaAl3F12" +mp-1195185,K2NaAl3F12,-5.7405865882,-3.64515335,0.0008401088,-0.0047762312,GGA,Pnma,A3B12C2D_oP72_62_cd_4c4d_2c_c:Al-F-K-Na,72.0,A3B12C2D_oP72_62_cd_4c4d_2c_c:Al-F-K-Na +mp-1111019,KNa2AlF6,-5.148414211,-3.2514242941,0.1714531342,0.1714531342,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-K-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-K-Na +mp-6586,K2NaAlF6,-5.32666363,-3.4508863478,0.0,-0.0337987116,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Na +mp-1225319,Eu2PCl,-8.72299168,-1.7790309883000002,0.0,-0.2174562925,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Cl-Eu-P,4.0,AB2C_tP4_123_a_bc_d:Cl-Eu-P +mp-753611,PCl3O,-4.7597226070000005,-1.5786023674,0.0091120745,-0.1137677831,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:Cl-O-P,20.0,"Invalid WP multiplicities - A3BC_oP20_33_9a_a_a:Cl-O-P, expected PCl9O to be PCl3O" +mp-2015815,PCl3O,-4.7688346815,-1.5877144419,0.0,-0.1228798576,GGA,Pnma,A3BC_oP20_62_cd_c_c:Cl-O-P,20.0,"Invalid WP multiplicities - A3BC_oP20_62_c2d_c_c:Cl-O-P, expected PCl5O to be PCl3O" +mp-1213012,Eu(PO3)3,-8.3291145992,-2.8662601591,0.0,-0.0716119212,GGA,C222_1,AB9C3_oC52_20_a_b4c_ac:Eu-O-P,26.0,AB9C3_oC52_20_a_b4c_ac:Eu-O-P +mp-566534,EuP5O14,-8.0270948628,-2.6982370482,0.0187511085,0.0187511085,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:Eu-O-P,80.0,"Invalid WP multiplicities - AB14C5_mP80_14_e_53e_18e:Eu-O-P, expected EuP18O53 to be EuP5O14" +mp-647532,Eu5P3ClO12,-9.3882860683,-3.2581090343,0.0,-0.0143084015,GGA,P6_3/m,AB5C12D3_hP42_176_b_fh_2hi_h:Cl-Eu-O-P,42.0,"Invalid WP multiplicities - AB5C12D3_hP42_176_b_3f2h_10h7i_h:Cl-Eu-O-P, expected Eu12P3ClO72 to be Eu5P3ClO12" +mp-3219,EuPO4,-9.0255287292,-3.1160188706,0.0,-0.1408692812,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Eu-O-P,24.0,AB4C_mP24_14_e_4e_e:Eu-O-P +mp-1212818,Eu5P3O13,-9.603612996,-3.3259049118,0.0,-0.2512009506,GGA,P6_3/m,A5B13C3_hP42_176_fh_a2hi_h:Eu-O-P,42.0,A5B13C3_hP42_176_fh_a2hi_h:Eu-O-P +mp-1079758,TbHO2,-7.4761178712,-2.9960004794,0.0,-0.0250155598,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:H-O-Tb,8.0,AB2C_mP8_11_e_2e_e:H-O-Tb +mp-504474,TbHO2,-7.3931045425,-2.9129871506,0.0830133287,0.0579977689,GGA,Pmmn,AB2C_oP8_59_a_2a_b:H-O-Tb,8.0,AB2C_oP8_59_a_2a_b:H-O-Tb +mp-625415,Tb(HO)3,-6.4786230786,-2.242535883,0.0189161139,0.0189161139,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Tb,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Tb, expected Tb(HO)6 to be Tb(HO)3" +mp-24121,Tb(HO)3,-6.4812023779,-2.2451151823,0.0163368146,0.0163368146,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Tb,14.0,A3B3C_hP14_176_h_h_c:H-O-Tb +mp-1207080,TbHSe,-5.5039627733,-1.6629615658,0.0,-0.1419431716,GGA,P-6m2,ABC_hP3_187_a_d_e:H-Se-Tb,3.0,ABC_hP3_187_a_d_e:H-Se-Tb +mp-1200178,TbH5(SeO4)2,-5.9623759534000005,-1.7021678928,0.0074331099,0.0074331099,GGA,P2_12_12_1,A5B8C2D_oP64_19_5a_8a_2a_a:H-O-Se-Tb,64.0,A5B8C2D_oP64_19_5a_8a_2a_a:H-O-Se-Tb +mp-13753,SmP5O14,-7.8767505531,-2.8248135218,0.0,-0.0264675744,GGA,P2_1/c,A14B5C_mP80_14_14e_5e_e:O-P-Sm,80.0,"Invalid WP multiplicities - A14B5C_mP80_14_17e_5e_e:O-P-Sm, expected SmP5O17 to be SmP5O14" +mp-1194682,Sm3P3O14,-7.9063894919,-2.9239240977,0.1993828913,0.1993828913,GGA,C2,A14B3C3_mC160_5_28c_ab5c_6c:O-P-Sm,80.0,A14B3C3_mC160_5_28c_ab5c_6c:O-P-Sm +mp-3831,SmPO4,-8.4424855225,-3.4560449414,0.0142961575,-0.2225939913,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Sm,24.0,A4BC_mP24_14_4e_e_e:O-P-Sm +mp-1102486,SmPO4,-8.45678168,-3.4703410989,0.0,-0.2368901488,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Sm,12.0,A4BC_tI24_141_h_a_b:O-P-Sm +mp-1105120,SmPO4,-8.4454420556,-3.4590014744,0.0113396244,-0.2255505244,GGA,P3_221,A4BC_hP18_154_2c_a_b:O-P-Sm,18.0,"Invalid WP multiplicities - A4BC_hP18_154_4c_a_b:O-P-Sm, expected SmPO8 to be SmPO4" +mp-1208698,Sm(PO3)3,-8.0282484569,-2.9914259911,0.0,-0.0176445668,GGA,C222_1,A9B3C_oC52_20_b4c_ac_a:O-P-Sm,26.0,A9B3C_oC52_20_b4c_ac_a:O-P-Sm +mp-1226438,CsSm(PO3)4,-7.7397959133,-2.9271590762,0.0,-0.0228806162,GGA,Cc,AB12C4D_mC216_9_3a_36a_12a_3a:Cs-O-P-Sm,108.0,"Invalid WP multiplicities - AB12C4D_mC216_9_6a_69a_23a_5a:Cs-O-P-Sm, expected Cs6Sm5(PO3)23 to be CsSm(PO3)4" +mp-1195002,CsSm(PO3)4,-7.7326217978,-2.9199849606,0.0071741156,-0.0157065007,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Cs-O-P-Sm,72.0,AB12C4D_mP72_14_e_12e_4e_e:Cs-O-P-Sm +mp-1207051,KSm3O6,-4.597072366,-0.102443404,3.0724063119,3.0724063119,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:K-O-Sm,10.0,AB6C3_oC20_65_a_kp_de:K-O-Sm +mp-557232,KSmPdO3,-6.6109103942,-2.3027548899,0.0230957648,0.0230957648,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:K-O-Pd-Sm,12.0,"Invalid WP multiplicities - AB3CD_mC24_12_i_5i_i_i:K-O-Pd-Sm, expected KSmPdO5 to be KSmPdO3" +mp-1178133,KSmO2,-6.9429395075,-3.0123488814,0.0,-0.1300454848,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Sm,4.0,AB2C_hR12_166_a_c_b:K-O-Sm +mp-28374,S5N5Cl,-5.5930014232000005,0.244567724,0.3307533234,0.3307533234,GGA,C2/c,AB5C5_mC44_15_a_e2f_e2f:Cl-N-S,22.0,"Invalid WP multiplicities - AB5C5_mC44_15_c_2e8f_2e5f:Cl-N-S, expected S12N18Cl to be S5N5Cl" +mp-556273,S4N5Cl,-5.6683986556,0.3392824196,0.4340865789,0.4340865789,GGA,P2_1/c,AB5C4_mP80_14_2e_10e_8e:Cl-N-S,80.0,"Invalid WP multiplicities - AB5C4_mP80_14_6e_40e_30e:Cl-N-S, expected S15N20Cl3 to be S4N5Cl" +mp-606912,S4N5Cl,-5.664992603,0.3426884723,0.4374926316,0.4374926316,GGA,Pnma,AB5C4_oP40_62_c_c2d_2cd:Cl-N-S,40.0,"Invalid WP multiplicities - AB5C4_oP40_62_c_4c12d_7c4d:Cl-N-S, expected S15N28Cl to be S4N5Cl" +mp-27952,SNCl,-4.8238964633,-0.0500693127,0.2659445517,0.2659445517,GGA,P2_1/m,ABC_mP18_11_ef_ef_ef:Cl-N-S,18.0,"Invalid WP multiplicities - ABC_mP18_11_ef_2e2f_2e2f:Cl-N-S, expected S2N2Cl to be SNCl" +mp-29311,S3N2Cl,-5.0787239956,0.0764220228,0.234428955,0.234428955,GGA,Pbca,AB2C3_oP48_61_c_2c_3c:Cl-N-S,48.0,"Invalid WP multiplicities - AB2C3_oP48_61_c_3c_6c:Cl-N-S, expected S6N3Cl to be S3N2Cl" +mp-27699,S3(NCl)2,-4.7603938057,-0.0776205528,0.1932484738,0.1932484738,GGA,P2_1,A2B2C3_mP14_4_2a_2a_3a:Cl-N-S,14.0,"Invalid WP multiplicities - A2B2C3_mP14_4_2a_3a_6a:Cl-N-S, expected S6N3Cl2 to be S3(NCl)2" +mp-29067,S2N2Cl,-5.2520600902,0.1068251585,0.2964334771,0.2964334771,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Cl-N-S,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_6e_11e_14e:Cl-N-S, expected S14N11Cl6 to be S2N2Cl" +mp-28721,Pt(SCl4)2,-3.4062670836,-0.7578737806,0.0,-0.0586321498,GGA,P2_1/c,A8BC2_mP22_14_4e_a_e:Cl-Pt-S,22.0,"Invalid WP multiplicities - A8BC2_mP22_14_5e_a_e:Cl-Pt-S, expected Pt(SCl5)2 to be Pt(SCl4)2" +mp-28722,Pt(SCl3)2,-3.5219762856,-0.6958370618,0.0559406931,0.0559406931,GGA,P-1,A6BC2_aP9_2_3i_a_i:Cl-Pt-S,9.0,"Invalid WP multiplicities - A6BC2_aP9_2_4i_a_i:Cl-Pt-S, expected Pt(SCl4)2 to be Pt(SCl3)2" +mp-557029,PtS4N3Cl,-5.3911522361,0.1060648997,0.4396433452,0.4396433452,GGA,Pnma,AB3CD4_oP36_62_c_cd_c_2d:Cl-N-Pt-S,36.0,"Invalid WP multiplicities - AB3CD4_oP36_62_c_3c3d_c_6d:Cl-N-Pt-S, expected PtS12N9Cl to be PtS4N3Cl" +mp-1080096,Pt(S3N)2,-4.5211085667,0.7636494746,0.9918899653,0.9918899653,GGA,Cmmm,A2BC6_oC18_65_h_a_gp:N-Pt-S,9.0,"Invalid WP multiplicities - A2BC6_oC18_65_h_a_2g2p:N-Pt-S, expected Pt(S6N)2 to be Pt(S3N)2" +mp-734425,Pt(SN)4,-5.9227477958,0.2953535917,0.5235940824,0.5235940824,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:N-Pt-S,36.0,A4BC4_mP36_14_4e_e_4e:N-Pt-S +mp-554590,Cu3B7BrO13,-7.4858309065,-2.2811082405,0.0198163098,0.0198163098,GGA,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Cu-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_4c4e_a_d_2b2h:B-Br-Cu-O, expected Cu3B28BrO26 to be Cu3B7BrO13" +mp-1187745,UHgO3,-7.933140576,-2.6461092743,0.244397553,0.244397553,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-U,5.0,AB3C_cP5_221_a_c_b:Hg-O-U +mp-1205945,Ba2UHgO6,-7.417066191,-2.9057489388,0.0808431297,0.0808431297,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Hg-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Hg-O-U +mp-1204746,Rb3P3O10,-6.6746677097,-2.3841429066,0.1281576325,0.1281576325,GGA,P-1,A10B3C3_aP32_2_10i_3i_3i:O-P-Rb,32.0,A10B3C3_aP32_2_10i_3i_3i:O-P-Rb +mp-4135,RbPO3,-6.9249406455,-2.6781601029,0.0016271387,-0.2076846245,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:O-P-Rb,20.0,A3BC_mP20_14_3e_e_e:O-P-Rb +mp-616587,RbPO3,-6.9265677842,-2.6797872417,0.0,-0.2093117633,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-P-Rb,40.0,"Invalid WP multiplicities - A3BC_mP40_14_18e_7e_7e:O-P-Rb, expected Rb7P7O18 to be RbPO3" +mp-1179733,RbPO3,-5.750318731,-1.5035381884,1.1762490533,0.96693729,GGA,P2_1/c,A3BC_mP60_14_9e_3e_3e:O-P-Rb,60.0,A3BC_mP60_14_9e_3e_3e:O-P-Rb +mp-9138,RbPO3,-6.9216023280000005,-2.6748217854,0.0049654562,-0.204346307,GGA,Pnma,A3BC_oP20_62_cd_c_c:O-P-Rb,20.0,A3BC_oP20_62_cd_c_c:O-P-Rb +mp-548658,RbPO3,-6.877258203,-2.6304776604,0.0493095813,-0.160002182,GGA,Cmcm,A3BC_oC20_63_ag_c_c:O-P-Rb,10.0,A3BC_oC20_63_ag_c_c:O-P-Rb +mp-727459,Rb5(PO4)4,-6.3565374259,-2.1284214351,0.1470046562,0.1470046562,GGA,Pnma,A16B4C5_oP100_62_8c4d_4c_5c:O-P-Rb,100.0,A16B4C5_oP100_62_8c4d_4c_5c:O-P-Rb +mp-558170,Rb3PO4,-6.015051335,-2.4973438889,0.0,-0.3973796861,GGA,Pnma,A4BC3_oP32_62_2cd_c_cd:O-P-Rb,32.0,"Invalid WP multiplicities - A4BC3_oP32_62_4c5d_c_4c3d:O-P-Rb, expected Rb10PO14 to be Rb3PO4" +mp-1209324,RbBePO4,-7.1570797354,-2.8827934083,0.0,-0.0819476788,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Be-O-P-Rb,28.0,AB4CD_oP28_33_a_4a_a_a:Be-O-P-Rb +mp-1020595,Rb8PO3,-3.1297364842,-0.7882663825,0.4754256748,0.4754256748,GGA,Pm-3m,A3BC8_cP12_221_c_a_g:O-P-Rb,12.0,A3BC8_cP12_221_c_a_g:O-P-Rb +mp-557673,RbBe2P3O10,-7.5026940913,-2.8673094391,0.0,-0.0415174508,GGA,C2/c,A2B10C3D_mC64_15_f_5f_ef_e:Be-O-P-Rb,32.0,"Invalid WP multiplicities - A2B10C3D_mC64_15_f_16f_e2f_e:Be-O-P-Rb, expected RbBe2P5O32 to be RbBe2P3O10" +mp-1209769,RbPO4,-6.3219349456,-1.9585030415,0.2746529932,0.2746529932,GGA,P-1,A4BC_aP36_2_12i_3i_3i:O-P-Rb,36.0,A4BC_aP36_2_12i_3i_3i:O-P-Rb +mp-728253,RbPO4,-6.3920761583,-2.0286442543,0.2045117804,0.2045117804,GGA,P2_1,A4BC_mP24_4_8a_2a_2a:O-P-Rb,24.0,"Invalid WP multiplicities - A4BC_mP24_14_8e_e_e:O-P-Rb, expected RbPO8 to be RbPO4" +mp-1102784,RbPO4,-6.3980714225,-2.0346395185,0.1985165162,0.1985165162,GGA,P2_1/m,A4BC_mP12_11_2ef_e_e:O-P-Rb,12.0,A4BC_mP12_11_2ef_e_e:O-P-Rb +mp-726130,RbPO4,-6.4026372333,-2.0392053293,0.1939507054,0.1939507054,GGA,I-42d,A4BC_tI24_122_e_a_b:O-P-Rb,12.0,A4BC_tI24_122_e_a_b:O-P-Rb +mp-1208780,TbZr6(PO4)9,-8.6780499292,-3.2411059668,0.0075529795,0.0075529795,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Tb-Zr,104.0,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Tb-Zr +mp-1208654,TbZrO14,-5.8109137062,-0.6586819133,0.679084118,0.679084118,GGA,Fd-3m,A14BC_cF128_227_cg_a_b:O-Tb-Zr,32.0,A14BC_cF128_227_cg_a_b:O-Tb-Zr +mp-1201586,Zr(PO4)2,-8.007949045,-2.649056742,0.1763383353,0.1763383353,GGA,I4_1cd,A8B2C_tI88_110_4b_b_a:O-P-Zr,44.0,A8B2C_tI88_110_4b_b_a:O-P-Zr +mp-771956,Tb2Zr2O7,-9.3658342336,-3.8212020119,0.0704809881,0.0704809881,GGA,P4_12_12,A7B2C2_tP44_92_a3b_b_b:O-Tb-Zr,44.0,"Invalid WP multiplicities - A7B2C2_tP44_92_2a23b_b_b:O-Tb-Zr, expected TbZrO24 to be Tb2Zr2O7" +mp-779217,Tb2Zr2O7,-9.3861608882,-3.8415286665,0.0501543335,0.0501543335,GGA,P4_2/ncm,A7B2C2_tP44_138_bij_g_i:O-Tb-Zr,44.0,"Invalid WP multiplicities - A7B2C2_tP44_138_2b4i7j_g_i:O-Tb-Zr, expected TbZrO19 to be Tb2Zr2O7" +mp-760425,Tb2Zr2O7,-9.4143611609,-3.8697289392,0.0219540608,0.0219540608,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Tb-Zr,22.0,A7B2C2_cF88_227_af_c_d:O-Tb-Zr +mp-1215996,Zr2P4O17,-7.78329414,-2.4423237323,0.2602280808,0.2602280808,GGA,C2,A17B4C2_mC46_5_a8c_2c_c:O-P-Zr,23.0,A17B4C2_mC46_5_a8c_2c_c:O-P-Zr +mp-1215787,Zr2P4O17,-7.777908831299999,-2.4369384236,0.2656133895,0.2656133895,GGA,P2/m,A17B4C2_mP23_10_d2m2n2o_mn_bc:O-P-Zr,23.0,"Invalid WP multiplicities - A17B4C2_mP23_10_e4m4n8o_2m2n_bc:O-P-Zr, expected Zr2P8O49 to be Zr2P4O17" +mp-557754,ZrP2O7,-8.5075765625,-3.1074639003,0.0004706847,-0.0622606829,GGA,Pnnm,A7B2C_oP20_58_agh_g_c:O-P-Zr,20.0,"Invalid WP multiplicities - A7B2C_oP20_58_2a3g5h_g_c:O-P-Zr, expected Zr(PO14)2 to be ZrP2O7" +mp-5024,ZrP2O7,-8.5080472472,-3.107934585,0.0,-0.0627313676,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Zr,40.0,A7B2C_cP40_205_ad_c_b:O-P-Zr +mp-15801,Zr3PO2,-8.9120511217,-2.0870874851,0.3633275877,0.3633275877,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:O-P-Zr,6.0,A2BC3_hP6_164_d_a_bd:O-P-Zr +mp-1196764,Tb(PO3)3,-8.0448145119,-3.0144705103,0.0,-0.0336173432,GGA,C2/c,A9B3C_mC208_15_18f_2e5f_2f:O-P-Tb,104.0,A9B3C_mC208_15_18f_2e5f_2f:O-P-Tb +mp-30537,TbP5O14,-7.8722155799,-2.8244895503,0.0,-0.0111646654,GGA,P2_1/c,A14B5C_mP80_14_14e_5e_e:O-P-Tb,80.0,"Invalid WP multiplicities - A14B5C_mP80_14_17e_5e_e:O-P-Tb, expected TbP5O17 to be TbP5O14" +mp-1209087,Tb(PO)2,-6.627609691,-1.5567399838,0.8774930533,0.8774930533,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-P-Tb,20.0,A2B2C_tI40_141_h_h_c:O-P-Tb +mp-560358,Zr2P2O9,-8.8709073662,-3.2984300835,0.0,-0.0274497987,GGA,C2/m,A9B2C2_mC52_12_5i2j_2i_2i:O-P-Zr,26.0,"Invalid WP multiplicities - A9B2C2_mC52_12_8i7j_4i_2i:O-P-Zr, expected ZrP2O11 to be Zr2P2O9" +mp-27132,Zr2P2O9,-8.8700154812,-3.2975381985,0.000891885,-0.0265579137,GGA,Cmce,A9B2C2_oC52_64_a2fg_f_f:O-P-Zr,26.0,"Invalid WP multiplicities - A9B2C2_oC52_64_a3fg_f_f:O-P-Zr, expected Zr2P2O11 to be Zr2P2O9" +mp-559219,Zr(PO3)4,-8.1112797107,-2.8429752876,0.0085838557,-0.010167822,GGA,C2/c,A12B4C_mC272_15_2e23f_8f_2ef:O-P-Zr,136.0,"Invalid WP multiplicities - A12B4C_mC272_15_4e87f_29f_4e3f:O-P-Zr, expected Zr5P29O89 to be Zr(PO3)4" +mp-557909,Zr(PO3)4,-8.1198635664,-2.8515591434000003,0.0,-0.0187516777,GGA,Pca2_1,A12B4C_oP136_29_24a_8a_2a:O-P-Zr,136.0,"Invalid WP multiplicities - A12B4C_oP136_29_90a_30a_4a:O-P-Zr, expected Zr2(PO3)15 to be Zr(PO3)4" +mp-1197919,ZrP2O9,-7.613036046,-2.2884940423,0.3014514452,0.3014514452,GGA,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-P-Zr,48.0,A9B2C_mP48_14_9e_2e_e:O-P-Zr +mp-676646,Tb2Zr8O19,-9.6628596538,-3.7443278347,0.0994273417,0.0994273417,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Tb-Zr,29.0,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Tb-Zr, expected Tb2Zr14O35 to be Tb2Zr8O19" +mp-774483,Zr2(PO4)3,-8.529209165,-3.0765283818,0.0128328767,0.0128328767,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-P-Zr,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_47e_9e_7e:O-P-Zr, expected Zr7P9O47 to be Zr2(PO4)3" +mp-774561,Zr2(PO4)3,-8.5285592032,-3.07587842,0.0134828384,0.0134828384,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-P-Zr,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_13f_e_c:O-P-Zr, expected Zr2(PO26)3 to be Zr2(PO4)3" +mp-1178611,Zr(PO5)2,-7.2388873392,-1.9434109734,0.4473079382,0.4473079382,GGA,P2_1,A10B2C_mP26_4_10a_2a_a:O-P-Zr,26.0,A10B2C_mP26_4_10a_2a_a:O-P-Zr +mp-754182,TbZr4O10,-9.525338624,-3.6392015752,0.0764284287,0.0764284287,GGA,I4/m,A10BC4_tI30_87_di_a_h:O-Tb-Zr,15.0,"Invalid WP multiplicities - A10BC4_tI30_87_2d3i_a_h:O-Tb-Zr, expected TbZr4O28 to be TbZr4O10" +mp-1190577,TbPO4,-8.4344134121,-3.4620095035,0.0400557196,-0.1781298408,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Tb,24.0,A4BC_mP24_14_4e_e_e:O-P-Tb +mp-1191716,TbPO4,-7.98525928,-3.0128553714,0.4892098517,0.2710242913,GGA,Pbcm,A4BC_oP24_57_cde_a_d:O-P-Tb,24.0,A4BC_oP24_57_cde_a_d:O-P-Tb +mp-1102021,TbPO4,-8.3943078558,-3.4219039472,0.0801612758,-0.1380242845,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-P-Tb,12.0,A4BC_tI24_88_f_a_b:O-P-Tb +mp-4340,TbPO4,-8.4744691317,-3.5020652231,0.0,-0.2181855603,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Tb,12.0,A4BC_tI24_141_h_a_b:O-P-Tb +mp-1215342,Zr6P2O,-8.8332856267,-1.3822303484,0.0093922252,0.0093922252,GGA,C2/m,AB2C6_mC18_12_a_i_3i:O-P-Zr,9.0,AB2C6_mC18_12_a_i_3i:O-P-Zr +mp-543033,Ce3S3N,-7.6954514861,-2.189006916,0.0,-0.0461074046,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Ce-N-S,28.0,A3BC3_oP28_62_3c_c_3c:Ce-N-S +mp-1191097,Ce4S3NCl3,-6.9221551223,-2.374535929,0.0037663427,0.0037663427,GGA,P6_3mc,A4B3CD3_hP22_186_bc_c_b_c:Ce-Cl-N-S,22.0,A4B3CD3_hP22_186_bc_c_b_c:Ce-Cl-N-S +mp-1101996,Ce2NCl3,-6.7112138492,-2.4198333133,0.0,-0.0472802194,GGA,Ibam,A2B3C_oI24_72_j_aj_b:Ce-Cl-N,12.0,A2B3C_oI24_72_j_aj_b:Ce-Cl-N +mp-1214460,CeN2Cl5,-4.6294856613,-0.6483903731,0.7050026413,0.7050026413,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ce-Cl-N,32.0,AB5C2_oP32_62_c_3cd_d:Ce-Cl-N +mp-667362,Ce3NCl6,-6.2339648007,-2.5112665658,0.0233478337,0.0233478337,GGA,Pbca,A3B6C_oP80_61_3c_6c_c:Ce-Cl-N,80.0,"Invalid WP multiplicities - A3B6C_oP80_61_18c_38c_c:Ce-Cl-N, expected Ce18NCl38 to be Ce3NCl6" +mp-1208326,TbGa3(BO3)4,-7.775942092,-2.7861178027,0.0140867377,0.0140867377,GGA,R32,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Tb,20.0,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Tb +mp-1217607,TbBO3,-8.699016827,-3.4682520261,0.0,-0.0078814563,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Tb,10.0,AB3C_oC20_40_b_bc_a:B-O-Tb +mp-1208709,Tb2B4O9,-8.6445186878,-3.2774188422,0.01092125,0.01092125,GGA,C2/c,A4B9C2_mC300_15_10f_e22f_5f:B-O-Tb,150.0,A4B9C2_mC300_15_10f_e22f_5f:B-O-Tb +mp-559434,Tb(BO2)3,-8.6087615285,-3.1734941605,0.0248899647,-0.0157251073,GGA,Pbcn,A3B6C_oP40_60_cd_3d_c:B-O-Tb,40.0,"Invalid WP multiplicities - A3B6C_oP40_60_2c3d_12d_c:B-O-Tb, expected Tb(BO3)8 to be Tb(BO2)3" +mp-683867,Tb(BO2)3,-8.6336514932,-3.1983841252,0.0,-0.0406150721,GGA,Pnma,A3B6C_oP160_62_6d_6c9d_4c:B-O-Tb,160.0,"Invalid WP multiplicities - A3B6C_oP160_62_42d_22c68d_13c:B-O-Tb, expected Tb13(B42O79)2 to be Tb(BO2)3" +mp-11112,Tb(BO2)3,-8.59754319,-3.162275822,0.0361083032,-0.0045067688,GGA,Ibam,A3B6C_oI40_72_aj_jk_b:B-O-Tb,20.0,"Invalid WP multiplicities - A3B6C_oI40_72_aj_2j3k_b:B-O-Tb, expected TbB3O16 to be Tb(BO2)3" +mp-861618,BaBiBS4,-5.3684265207,-1.2277614767,0.0055933754,0.0055933754,GGA,C2/m,ABCD4_mC28_12_i_i_i_2ij:B-Ba-Bi-S,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_3i2j:B-Ba-Bi-S, expected BaBiBS7 to be BaBiBS4" +mp-1201386,Se2N2O5,-5.7805596956,-0.4029756554,0.4815402536,0.4815402536,GGA,P2_12_12_1,A2B5C2_oP36_19_2a_5a_2a:N-O-Se,36.0,A2B5C2_oP36_19_2a_5a_2a:N-O-Se +mp-1245770,Mn4Se3N2,-7.4088775883,-0.3190125382,0.2298876525,0.2298876525,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Mn-N-Se,18.0,A4B2C3_oP18_58_2g_g_ag:Mn-N-Se +mp-1245570,Mn4Se3N2,-7.5347006797,-0.4448356296,0.1040645611,0.1040645611,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Mn-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:Mn-N-Se +mp-1179279,Se2NO6,-5.7150723464,-0.7141334411,0.2849038636,0.2849038636,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:N-O-Se,36.0,AB6C2_oP36_19_a_6a_2a:N-O-Se +mp-1179474,Se2NO6,-5.165297645,-0.1643587397,0.834678565,0.834678565,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:N-O-Se,36.0,AB6C2_oP36_19_a_6a_2a:N-O-Se +mp-1199130,Se2NO6,-5.0646004169,-0.0636615116,0.9353757931,0.9353757931,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:N-O-Se,36.0,AB6C2_oP36_19_a_6a_2a:N-O-Se +mp-1204959,Se2NO6,-4.9454841253,0.05545478,1.0544920847,1.0544920847,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:N-O-Se,36.0,AB6C2_oP36_19_a_6a_2a:N-O-Se +mp-1209208,Se2NO6,-4.7508266103,0.250112295,1.2491495997,1.2491495997,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:N-O-Se,36.0,AB6C2_oP36_19_a_6a_2a:N-O-Se +mp-1201046,Se3(NO6)2,-5.8471019635,-0.7576320331,0.1225588929,0.1225588929,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:N-O-Se,34.0,A2B12C3_mC68_15_f_6f_ef:N-O-Se +mp-1247335,Mn2SeN2,-7.876582956,-0.1779965736,0.2929954442,0.2929954442,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-N-Se,5.0,A2B2C_hP5_164_d_d_a:Mn-N-Se +mp-1219375,Se2N3O8,-4.5966100631,0.9091451231,1.7593544204,1.7593544204,GGA,P1,A3B8C2_aP13_1_3a_8a_2a:N-O-Se,13.0,A3B8C2_aP13_1_3a_8a_2a:N-O-Se +mp-1209835,Se2N3O8,-4.5361745385,0.9695806477,1.819789945,1.819789945,GGA,C2/c,A3B8C2_mC52_15_ef_4f_f:N-O-Se,26.0,A3B8C2_mC52_15_ef_4f_f:N-O-Se +mp-1209541,SeNO4,-5.9566006561,-0.6867404482,0.2343196239,0.2343196239,GGA,C2,AB4C_mC36_5_ac_6c_ac:N-O-Se,18.0,AB4C_mC36_5_ac_6c_ac:N-O-Se +mp-1246650,Mn3(SeN)2,-7.6834706802,-0.3762051542,0.160019018,0.160019018,GGA,Pnma,A3B2C2_oP56_62_6c_4c_4c:Mn-N-Se,56.0,A3B2C2_oP56_62_6c_4c_4c:Mn-N-Se +mp-1211935,Mn2Se3(NO6)2,-6.1111305113,-0.5929715954,0.7004315053,0.7004315053,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Mn-N-O-Se,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Mn-N-O-Se +mp-1216289,Zn4P3O13,-6.3514415975,-2.0721498372,0.1404655901,0.1404655901,GGA,P1,A13B3C4_aP40_1_26a_6a_8a:O-P-Zn,40.0,A13B3C4_aP40_1_26a_6a_8a:O-P-Zn +mp-551741,Zn2P2O7,-6.7615870082,-2.4004130798,0.0335970147,0.020950497,GGA,C2/m,A7B2C2_mC22_12_aij_i_h:O-P-Zn,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_a2ij_i_h:O-P-Zn, expected Zn2P2O9 to be Zn2P2O7" +mp-542331,Zn2P2O7,-6.7723247905,-2.4111508621,0.0228592324,0.0102127148,GGA,C2/c,A7B2C2_mC132_15_e10f_3f_3f:O-P-Zn,66.0,A7B2C2_mC132_15_e10f_3f_3f:O-P-Zn +mp-559319,Zn2P2O7,-6.7951840228,-2.4340100945,0.0,-0.0126465176,GGA,Pbcm,A7B2C2_oP88_57_c3d5e_2de_2e:O-P-Zn,88.0,"Invalid WP multiplicities - A7B2C2_oP88_57_4c12d34e_8d6e_8e:O-P-Zn, expected Zn4P5O21 to be Zn2P2O7" +mp-1207562,Zn(PO5)2,-5.9690188515,-1.2341545642,0.48928741,0.48928741,GGA,P2_1/c,A10B2C_mP26_14_5e_e_a:O-P-Zn,26.0,A10B2C_mP26_14_5e_e_a:O-P-Zn +mp-1198244,ZnP2O5,-5.9871021966,-1.3846281741,0.9650805267,0.9650805267,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:O-P-Zn,32.0,A5B2C_mP32_14_5e_2e_e:O-P-Zn +mp-22257,Zn2PdO4,-4.9844928164,-1.0579036914,0.2779914271,0.2779914271,GGA,Fd-3m,A4BC2_cF56_227_e_a_d:O-Pd-Zn,14.0,A4BC2_cF56_227_e_a_d:O-Pd-Zn +mp-1178781,Zn2P3O16,-5.9811932612,-1.318983065,0.3853884199,0.3853884199,GGA,P-1,A16B3C2_aP42_2_16i_3i_bei:O-P-Zn,42.0,A16B3C2_aP42_2_16i_3i_bei:O-P-Zn +mp-1025258,ZnPPd5,-5.1396543386,-0.4864464576,0.0,-0.0145157171,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pd-Zn,7.0,AB5C_tP7_123_b_ai_c:P-Pd-Zn +mp-972439,Zn3(PO4)2,-6.5022782942,-2.3346363301,0.0396139027,0.000531482,GGA,P2_1/c,A8B2C3_mP26_14_4e_e_ae:O-P-Zn,26.0,A8B2C3_mP26_14_4e_e_ae:O-P-Zn +mp-553958,Zn3(PO4)2,-6.5157690658,-2.3481271017,0.0261231312,-0.0129592895,GGA,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:O-P-Zn,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_30e_6e_7e:O-P-Zn, expected Zn7(PO5)6 to be Zn3(PO4)2" +mp-31005,Zn3(PO4)2,-6.5232583073,-2.3556163432,0.0186338896,-0.0204485311,GGA,P2_1/c,A8B2C3_mP26_14_4e_e_ae:O-P-Zn,26.0,"Invalid WP multiplicities - A8B2C3_mP26_14_5e_e_ae:O-P-Zn, expected Zn3(PO5)2 to be Zn3(PO4)2" +mp-557920,Zn3(PO4)2,-6.5418921969,-2.3742502328,0.0,-0.0390824207,GGA,C2/c,A8B2C3_mC52_15_4f_f_ef:O-P-Zn,26.0,"Invalid WP multiplicities - A8B2C3_mC52_15_14f_f_2e3f:O-P-Zn, expected Zn4PO14 to be Zn3(PO4)2" +mp-774868,ZnP4O11,-7.3070906236,-2.4741825323,0.0064068237,-0.0064871117,GGA,P-1,A11B4C_aP64_2_22i_8i_2i:O-P-Zn,64.0,"Invalid WP multiplicities - A11B4C_aP64_2_43i_15i_3i:O-P-Zn, expected Zn3P15O43 to be ZnP4O11" +mp-15438,ZnP4O11,-7.3134974473,-2.4805893561,0.0,-0.0128939355,GGA,P2_1/c,A11B4C_mP64_14_11e_4e_e:O-P-Zn,64.0,"Invalid WP multiplicities - A11B4C_mP64_14_14e_4e_e:O-P-Zn, expected Zn(P2O7)2 to be ZnP4O11" +mp-1188933,Zn3(PO6)2,-5.7302508206,-1.3793037395,0.4362993797,0.4362993797,GGA,P-1,A12B2C3_aP17_2_6i_i_ai:O-P-Zn,17.0,A12B2C3_aP17_2_6i_i_ai:O-P-Zn +mp-1189193,Zn3(PO6)2,-5.8419456847,-1.4909986036,0.3246045156,0.3246045156,GGA,P-1,A12B2C3_aP17_2_6i_i_ai:O-P-Zn,17.0,A12B2C3_aP17_2_6i_i_ai:O-P-Zn +mp-1237913,Zn3(PO6)2,-5.7470526476,-1.3961055666,0.4194975526,0.4194975526,GGA,P-1,A12B2C3_aP17_2_6i_i_ai:O-P-Zn,17.0,A12B2C3_aP17_2_6i_i_ai:O-P-Zn +mp-867973,Zn3(PO6)2,-5.6942894,-1.3433423189,0.4722608003,0.4722608003,GGA,Pnma,A12B2C3_oP68_62_ab2c4d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_ab2c4d_d_cd:O-P-Zn +mp-1178696,Zn3(PO6)2,-5.5729267835,-1.2219797025,0.5936234168,0.5936234168,GGA,Pnma,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn +mp-1179030,Zn3(PO6)2,-5.6073456238,-1.2563985427,0.5592045765,0.5592045765,GGA,Pnma,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn +mp-1199183,Zn3(PO6)2,-5.7381251396,-1.3871780585,0.4284250607,0.4284250607,GGA,Pnma,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn +mp-1200091,Zn3(PO6)2,-5.5775539296000005,-1.2266068485,0.5889962707,0.5889962707,GGA,Pnma,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn +mp-1201504,Zn3(PO6)2,-5.7292164387,-1.3782693576,0.4373337616,0.4373337616,GGA,Pnma,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn,68.0,A12B2C3_oP68_62_2c5d_d_cd:O-P-Zn +mp-1189569,Zn2PO5,-6.1064333544,-2.023154194,0.1298660276,0.1298660276,GGA,P-1,A5BC2_aP16_2_5i_i_2i:O-P-Zn,16.0,A5BC2_aP16_2_5i_i_2i:O-P-Zn +mp-1178724,Zn4P2O13,-5.4531912374,-1.2335842532,0.5794854071000001,0.5794854071000001,GGA,P2/c,A13B2C4_mP38_13_f6g_g_aeg:O-P-Zn,38.0,A13B2C4_mP38_13_f6g_g_aeg:O-P-Zn +mp-558930,Zn(PO3)2,-7.1301362839,-2.4894161849,0.0,-0.027803565,GGA,Cc,A6B2C_mC72_9_12a_4a_2a:O-P-Zn,36.0,"Invalid WP multiplicities - A6B2C_mC72_9_22a_7a_4a:O-P-Zn, expected Zn4P7O22 to be Zn(PO3)2" +mp-8230,Zn(PO3)2,-7.1169460728,-2.4762259738,0.0131902111,-0.0146133539,GGA,C2/c,A6B2C_mC36_15_3f_f_e:O-P-Zn,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4f_f_e:O-P-Zn, expected Zn(PO4)2 to be Zn(PO3)2" +mp-726095,Zn(PO2)2,-6.4087246707,-1.8554241752,0.3146606174,0.3146606174,GGA,Pmma,A4B2C_oP14_51_ik_ef_a:O-P-Zn,14.0,A4B2C_oP14_51_ik_ef_a:O-P-Zn +mp-1207501,ZnP2PdO7,-6.8498409884,-2.13229086,0.0482246643,0.0482246643,GGA,Pnma,A7B2CD_oP44_62_3c2d_2c_a_c:O-P-Pd-Zn,44.0,A7B2CD_oP44_62_3c2d_2c_a_c:O-P-Pd-Zn +mp-1120778,Nb4NO3,-9.57072693,-1.6230042777,0.4094370561,0.4094370561,GGA,P1,AB4C3_aP8_1_a_4a_3a:N-Nb-O,8.0,AB4C3_aP8_1_a_4a_3a:N-Nb-O +mp-676894,Nb40(NO)17,-9.6383537619,-1.1266466887,0.5418804648000001,0.5418804648000001,GGA,R3m,A17B40C17_hR222_160_17a_40a_17a:N-Nb-O,74.0,A17B40C17_hR222_160_17a_40a_17a:N-Nb-O +mp-1209909,NbN3O8,-5.4664537617,0.7572378638,2.1148802206,2.1148802206,GGA,I-42m,A3BC8_tI24_121_ad_b_2i:N-Nb-O,12.0,A3BC8_tI24_121_ad_b_2i:N-Nb-O +mp-1173557,Nb10N11O,-10.2828292652,-1.2982300249,0.0362539229,0.0362539229,GGA,Pc,A11B10C_mP44_7_11a_10a_a:N-Nb-O,44.0,"Invalid WP multiplicities - A11B10C_mP44_7_22a_20a_a:N-Nb-O, expected Nb20N22O to be Nb10N11O" +mp-1220538,Nb5(NO)2,-9.9496368267,-1.3859821075,0.2440672103,0.2440672103,GGA,Cm,A2B5C2_mC18_8_2a_5a_2a:N-Nb-O,9.0,A2B5C2_mC18_8_2a_5a_2a:N-Nb-O +mp-685674,Nb40N21O16,-9.7060127742,-1.157108691,0.4973073325,0.4973073325,GGA,P1,A21B40C16_aP77_1_21a_40a_16a:N-Nb-O,77.0,A21B40C16_aP77_1_21a_40a_16a:N-Nb-O +mp-1173578,Nb27N37O3,-9.8010520596,-0.9051473664,0.3118971736,0.3118971736,GGA,Cm,A37B27C3_mC134_8_37a_27a_3a:N-Nb-O,67.0,A37B27C3_mC134_8_37a_27a_3a:N-Nb-O +mp-781710,NbNO,-9.7472914087,-1.95246185,0.0245216629,-0.0007927674,GGA,P1,ABC_aP24_1_8a_8a_8a:N-Nb-O,24.0,ABC_aP24_1_8a_8a_8a:N-Nb-O +mp-754495,NbNO,-9.7146463042,-1.9198167454,0.0571667675,0.0318523372,GGA,C2/m,ABC_mC24_12_2i_2i_2i:N-Nb-O,12.0,ABC_mC24_12_3i_3i_3i:N-Nb-O +mp-754752,NbNO,-9.7341907083,-1.9393611496,0.0376223633,0.012307933,GGA,C2/m,ABC_mC24_12_2i_2i_2i:N-Nb-O,12.0,ABC_mC24_12_3i_3i_3i:N-Nb-O +mp-7596,NbNO,-9.7718130717,-1.9769835129,0.0,-0.0253144303,GGA,P2_1/c,ABC_mP12_14_e_e_e:N-Nb-O,12.0,ABC_mP12_14_e_e_e:N-Nb-O +mp-752463,NbNO,-9.71007219,-1.9152426313,0.0617408817,0.0364264514,GGA,I4_1md,ABC_tI12_109_a_a_a:N-Nb-O,6.0,ABC_tI12_109_a_a_a:N-Nb-O +mp-6031,Li16Nb2N8O,-5.5427932415,-1.0100516097,0.0,-0.0047353993,GGA,R-3,A16B8C2D_hR81_148_2c2f_cf_c_a:Li-N-Nb-O,27.0,A16B8C2D_hR81_148_2c2f_cf_c_a:Li-N-Nb-O +mp-1227329,CaCd(CO3)2,-7.333069706,-2.2264744168,0.0,-0.0002815745,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:C-Ca-Cd-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Ca-Cd-O +mp-1198558,CdCO3,-6.1947669085,-1.1964426313,0.5671717885,0.4119028115,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:C-Cd-O,40.0,ABC3_mP40_14_2e_2e_6e:C-Cd-O +mp-654812,CdCO3,-3.873192376,1.1251319012,2.888746321,2.733477344,GGA,R-3m,ABC3_hR15_166_b_a_d:C-Cd-O,5.0,ABC3_hR15_166_b_a_d:C-Cd-O +mp-547864,CdCO3,-3.528635046,1.4696892312,3.233303651,3.078034674,GGA,R-3m,ABC3_hR15_166_b_a_d:C-Cd-O,5.0,ABC3_hR15_166_b_a_d:C-Cd-O +mp-4385,CdCO3,-6.761938697,-1.7636144197,0.0,-0.155268977,GGA,R-3c,ABC3_hR30_167_a_b_e:C-Cd-O,10.0,ABC3_hR30_167_a_b_e:C-Cd-O +mp-1214952,Cd(CO)6,-6.3925829423,0.2208797487,1.512004348,1.512004348,GGA,C2/c,A6BC6_mC52_15_3f_c_3f:C-Cd-O,26.0,"Invalid WP multiplicities - A6BC6_mC52_15_10f_a_10f:C-Cd-O, expected Cd(CO)20 to be Cd(CO)6" +mp-1214358,CaCO4,-7.1005309002,-1.9303608639,0.3102818567,0.3102818567,GGA,P3_1,ABC4_hP54_144_3a_3a_12a:C-Ca-O,54.0,ABC4_hP54_144_3a_3a_12a:C-Ca-O +mp-1182178,CdC2O7,-6.1808781360000005,-0.7801739636,0.6327364257,0.6327364257,GGA,P-1,A2BC7_aP20_2_2i_i_7i:C-Cd-O,20.0,A2BC7_aP20_2_2i_i_7i:C-Cd-O +mp-1214028,CaC2O5,-7.389958025,-1.7404112223,0.6039497925,0.6039497925,GGA,C2/m,A2BC5_mC32_12_gi_i_3ij:C-Ca-O,16.0,A2BC5_mC32_12_gi_i_3ij:C-Ca-O +mp-1196896,CaC2O5,-7.2076194447,-1.558072642,0.7862883728000001,0.7862883728000001,GGA,P2_1/c,A2BC5_mP64_14_4e_2e_10e:C-Ca-O,64.0,A2BC5_mP64_14_4e_2e_10e:C-Ca-O +mp-729142,CaC2O5,-7.3903147758,-1.7407679731,0.6035930417,0.6035930417,GGA,P2_1/c,A2BC5_mP64_14_4e_2e_10e:C-Ca-O,64.0,A2BC5_mP64_14_4e_2e_10e:C-Ca-O +mp-555064,Cd(CO2)2,-7.1627729286,-1.5674907014,0.071593298,0.071593298,GGA,P2_1/c,A2BC4_mP14_14_e_a_2e:C-Cd-O,14.0,"Invalid WP multiplicities - A2BC4_mP14_14_e_a_5e:C-Cd-O, expected Cd(CO5)2 to be Cd(CO2)2" +mp-1079918,CaCO3,-7.887421552,-2.6725552507,0.016216014,-0.287686676,GGA,P-1,ABC3_aP10_2_i_i_3i:C-Ca-O,10.0,ABC3_aP10_2_i_i_3i:C-Ca-O +mp-1188902,CaCO3,-7.883719112,-2.6688528108,0.019918454,-0.283984236,GGA,P-1,ABC3_aP20_2_2i_2i_6i:C-Ca-O,20.0,ABC3_aP20_2_2i_2i_6i:C-Ca-O +mp-1197230,CaCO3,-7.879239358199999,-2.664373057,0.0243982078,-0.2795044822,GGA,P-1,ABC3_aP50_2_5i_5i_15i:C-Ca-O,50.0,ABC3_aP50_2_5i_5i_15i:C-Ca-O +mp-1197939,CaCO3,-7.895481444,-2.6806151428,0.008156122,-0.295746568,GGA,P-1,ABC3_aP90_2_9i_be8i_27i:C-Ca-O,90.0,ABC3_aP90_2_9i_be8i_27i:C-Ca-O +mp-561412,CaCO3,-7.8964401467,-2.6815738454,0.0071974193,-0.2967052707,GGA,C2,ABC3_mC30_5_ac_bc_a4c:C-Ca-O,15.0,"Invalid WP multiplicities - ABC3_mC30_5_ac_b2c_a6c:C-Ca-O, expected Ca5C3O13 to be CaCO3" +mp-556235,CaCO3,-7.901712144,-2.6868458428,0.001925422,-0.301977268,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-Ca-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_9e:C-Ca-O, expected CaCO9 to be CaCO3" +mp-696740,CaCO3,-6.030930786,-0.8160644848,1.87270678,1.56880409,GGA,C2/c,ABC3_mC20_15_e_a_ef:C-Ca-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_e_c_2e3f:C-Ca-O, expected CaCO8 to be CaCO3" +mp-1194399,CaCO3,-7.8950324993,-2.6801661981,0.0086050667,-0.2952976233,GGA,C2/c,ABC3_mC60_15_ef_cf_e4f:C-Ca-O,30.0,ABC3_mC60_15_ef_af_e4f:C-Ca-O +mp-548403,CaCO3,-7.593784954,-2.3789186528,0.309852612,0.005949922,GGA,C222_1,ABC3_oC20_20_b_a_ac:C-Ca-O,10.0,ABC3_oC20_20_b_a_ac:C-Ca-O +mp-3205,CaCO3,-7.734772092,-2.5199057908,0.168865474,-0.135037216,GGA,Pmmn,ABC3_oP10_59_a_b_ae:C-Ca-O,10.0,"Invalid WP multiplicities - ABC3_oP10_59_a_b_a2e:C-Ca-O, expected CaCO5 to be CaCO3" +mp-4626,CaCO3,-7.8792835165,-2.6644172153,0.0243540495,-0.2795486405,GGA,Pnma,ABC3_oP20_62_c_c_cd:C-Ca-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_c2d:C-Ca-O, expected CaCO5 to be CaCO3" +mp-553939,CaCO3,-7.890069259,-2.6752029578,0.013568307,-0.290334383,GGA,Pnma,ABC3_oP20_62_c_a_cd:C-Ca-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_4c3d:C-Ca-O, expected CaCO10 to be CaCO3" +mp-641635,CaCO3,-6.5258647435,-1.3109984423,1.3777728225,1.0738701325,GGA,Pnma,ABC3_oP20_62_c_a_cd:C-Ca-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_2c2d:C-Ca-O, expected CaCO6 to be CaCO3" +mp-2717324,CaCO3,-7.902225894,-2.6873595928,0.001411672,-0.302491018,GGA,P321,ABC3_hP15_150_ad_bd_eg:C-Ca-O,15.0,"Invalid WP multiplicities - ABC3_hP15_150_ad_b2d_2e2g:C-Ca-O, expected Ca5(CO6)3 to be CaCO3" +mp-3953,CaCO3,-7.903637566,-2.6887712648,0.0,-0.30390269,GGA,R-3c,ABC3_hR30_167_a_b_e:C-Ca-O,10.0,ABC3_hR30_167_a_b_e:C-Ca-O +mp-560265,CaCO3,-7.895569251,-2.6807029498,0.008068315,-0.295834375,GGA,P6_522,ABC3_hP90_179_ac_3b_a4c:C-Ca-O,90.0,"Invalid WP multiplicities - ABC3_hP90_179_4a4c_14b_5a34c:C-Ca-O, expected Ca14C12O73 to be CaCO3" +mp-1188325,Ca(CO)4,-7.9840695389,-1.4610676839,0.3277514518,0.3277514518,GGA,I4_1/amd,A4BC4_tI36_141_2e_a_h:C-Ca-O,18.0,A4BC4_tI36_141_2e_a_h:C-Ca-O +mp-558543,Ca(CO2)2,-8.0043664879,-2.2544113864,0.0454989309,0.0454989309,GGA,P2/m,A2BC4_mP28_10_ikmn_mn_2m2n2o:C-Ca-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_10_2i2l2m2n_mn_3m4n5o:C-Ca-O, expected Ca2C8O17 to be Ca(CO2)2" +mp-1181830,Ca(CO2)2,-7.233644515,-1.4836894136,0.8162209037,0.8162209037,GGA,P2/m,A2BC4_mP28_10_ikmn_mn_2m2n2o:C-Ca-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_10_2il2m2n_2m2n_4m4n6o:C-Ca-O, expected Ca4C7O20 to be Ca(CO2)2" +mp-1196658,Ca(CO2)2,-7.4351540116,-1.6851989102,0.6147114071,0.6147114071,GGA,Pbca,A2BC4_oP56_61_2c_c_4c:C-Ca-O,56.0,A2BC4_oP56_61_2c_c_4c:C-Ca-O +mp-1180833,La2(SO7)3,-6.017419461,-1.1650415092,0.5724253309,0.5724253309,GGA,P6_3/m,A2B21C3_hP52_176_bc_3h2i_h:La-O-S,52.0,A2B21C3_hP52_176_bc_3h2i_h:La-O-S +mp-561194,La10S14O,-7.0990621129,-2.610379797,0.0,-0.0080360389,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:La-O-S,100.0,"Invalid WP multiplicities - A10BC14_tI200_142_7f19g_a_7e33g:La-O-S, expected La90S146O to be La10S14O" +mp-4078,La2SO6,-8.0533907022,-3.1991022195,0.0,-0.0908354578,GGA,C2/c,A2B6C_mC36_15_f_3f_e:La-O-S,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_7f_e:La-O-S, expected La2SO14 to be La2SO6" +mp-29265,Nd2(SO4)3,-7.4040998359,-2.6213993064,0.0,-0.2551740286,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Nd-O-S,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_7f_ef:Nd-O-S, expected Nd2S3O14 to be Nd2(SO4)3" +mp-1211239,Nd2S3O20,-5.9857027134,-1.1505259658,0.6320255626,0.6320255626,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Nd-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Nd-O-S +mp-1181395,La2S3O16,-6.5542471436,-1.7243241345,0.4268252865,0.4268252865,GGA,P2_1/c,A2B16C3_mP84_14_2e_16e_3e:La-O-S,84.0,A2B16C3_mP84_14_2e_16e_3e:La-O-S +mp-2713773,La2(SO4)3,-7.4597509522,-2.6573022259,0.0,-0.2208794773,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:La-O-S,102.0,A2B12C3_hR102_167_c_2f_e:La-O-S +mp-1198459,Nd2S3O16,-6.5288542895,-1.7149179159,0.4071672369,0.4071672369,GGA,P2_1/c,A2B16C3_mP84_14_2e_16e_3e:Nd-O-S,84.0,A2B16C3_mP84_14_2e_16e_3e:Nd-O-S +mp-560608,Nd10S14O,-6.8894130338,-2.4678745869,0.0023882703,0.0023882703,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:Nd-O-S,100.0,"Invalid WP multiplicities - A10BC14_tI200_142_6f20g_a_7e33g:Nd-O-S, expected Nd92S146O to be Nd10S14O" +mp-4511,La2SO2,-8.339423348,-3.5590550481000003,0.0,-0.1070217416,GGA,P-3m1,A2B2C_hP5_164_d_d_a:La-O-S,5.0,A2B2C_hP5_164_d_d_a:La-O-S +mp-755887,La2S2O,-7.6474806715,-3.0291601405,0.0028531014,0.0028531014,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:La-O-S,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_3e_e_3e:La-O-S, expected La3S3O to be La2S2O" +mp-754794,La2S2O,-7.6407935665,-3.0224730355,0.0095402064,0.0095402064,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:La-O-S,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_5c:La-O-S, expected La5S5O to be La2S2O" +mp-1224734,La20S29O,-7.0214692493,-2.5489917103,0.0033806372,0.0033806372,GGA,I-4c2,A20BC29_tI200_120_eh4i_b_c7i:La-O-S,100.0,"Invalid WP multiplicities - A20BC29_tI200_120_2eh10i_b_c16i:La-O-S, expected La46S65O to be La20S29O" +mp-773116,La20S29O,-7.0187738066,-2.5462962676,0.0060760799,0.0060760799,GGA,I-42d,A20BC29_tI200_122_5e_a_b2d6e:La-O-S,100.0,"Invalid WP multiplicities - A20BC29_tI200_122_30e_a_b8d37e:La-O-S, expected La120S165O to be La20S29O" +mp-1223043,La4Nd4S4O7,-8.0579377384,-3.3216620228,0.0344292907,0.0344292907,GGA,Cm,A4B4C7D4_mC38_8_2ab_2ab_3a2b_2ab:La-Nd-O-S,19.0,A4B4C7D4_mC38_8_2ab_2ab_3a2b_2ab:La-Nd-O-S +mp-1220911,Nd2S3O17,-6.1625066425,-1.3425360717,0.6830906651,0.6830906651,GGA,Cc,A2B17C3_mC88_9_2a_17a_3a:Nd-O-S,44.0,"Invalid WP multiplicities - A2B17C3_mC88_9_3a_25a_4a:Nd-O-S, expected Nd3S4O25 to be Nd2S3O17" +mp-1193569,LaSO5,-7.3514380436,-2.5220236824,0.1196212396,0.1196212396,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:La-O-S,28.0,AB5C_mP28_14_e_5e_e:La-O-S +mp-1078455,Nd2SO6,-7.88349333,-3.0665069967,0.0,-0.0151405009,GGA,I-42m,A2B6C_tI18_121_e_di_a:Nd-O-S,9.0,A2B6C_tI18_121_e_di_a:Nd-O-S +mp-3211,Nd2SO2,-8.165726694,-3.4525022631,0.0,-0.1396330207,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Nd-O-S,5.0,A2B2C_hP5_164_d_d_a:Nd-O-S +mp-557722,LaSO,-7.725085975,-3.052037414,0.0003151125,-0.0365565461,GGA,Pbcm,ABC_oP24_57_e_2c_2d:La-O-S,24.0,ABC_oC24_64_d_e_f:La-O-S +mp-28626,LaSO,-7.7254010875,-3.0523525265,0.0,-0.0368716586,GGA,Cmce,ABC_oC24_64_d_e_f:La-O-S,12.0,ABC_oC24_64_d_e_f:La-O-S +mp-1216032,YEr(FeO3)2,-8.611427153,-2.8459906919,0.0153219044,0.0153219044,GGA+U,Pmc2_1,AB2C6D_oP20_26_a_c_ab2c_b:Er-Fe-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_oP20_26_a_c_ab3c_b:Er-Fe-O-Y, expected YEr(FeO4)2 to be YEr(FeO3)2" +mp-4704,Y3Fe5O12,-8.5887641108,-2.5332749145,0.0235155864,0.0235155864,GGA+U,Ia-3d,A5B12C3_cI160_230_ad_h_c:Fe-O-Y,80.0,"Invalid WP multiplicities - A5B12C3_cI160_230_7a7d_h_c:Fe-O-Y, expected Y3Fe35O12 to be Y3Fe5O12" +mp-1216207,YEr3Fe34,-8.1248203758,-0.0156006736,0.0225597561,0.0225597561,GGA,P-6m2,A3B34C_hP38_187_abc_hilm3n_f:Er-Fe-Y,38.0,"Invalid WP multiplicities - A3B34C_hP38_187_abc_h2ilm4n_f:Er-Fe-Y, expected Y(ErFe14)3 to be YEr3Fe34" +mp-1045059,Y(FeO2)3,-8.2784065903,-2.1227398892,0.1510720212,0.1510720212,GGA+U,P-3m1,A3B6C_hP40_164_adfi_c2d3i_cd:Fe-O-Y,40.0,"Invalid WP multiplicities - A3B6C_hP40_164_ad3f3i_2c4d18i_2c2d:Fe-O-Y, expected Y4(FeO4)15 to be Y(FeO2)3" +mp-1216220,Y2Er4Fe23,-7.8557418262,-0.0621450918,0.010395158,0.010395158,GGA,Imm2,A4B23C2_oI58_44_cd_2ab4c3e_d:Er-Fe-Y,29.0,"Invalid WP multiplicities - A4B23C2_oI58_44_2cd_2ab8c6e_d:Er-Fe-Y, expected Y2Er6Fe43 to be Y2Er4Fe23" +mp-1379819,Y2Fe2O7,-8.4559659664,-2.5923472731,0.0,-0.0107390082,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Fe-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Fe-O-Y +mp-755109,YErO3,-9.09208816,-3.9172369486,0.0975335149,0.0975335149,GGA,Pnma,AB3C_oP20_62_a_cd_c:Er-O-Y,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Er-O-Y, expected YErO7 to be YErO3" +mp-504492,Y6Fe16O,-7.0180819691,0.7760856287,1.1204366168,1.1204366168,GGA+U,Im-3m,A16BC6_cI46_229_ch_a_e:Fe-O-Y,23.0,A16BC6_cI46_229_ch_a_e:Fe-O-Y +mp-1376289,YFeO3,-8.7812976387,-2.8259859472,0.0137831442,0.0137831442,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Fe-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Fe-O-Y +mp-1275986,YFeO3,-8.786369047,-2.8310573556,0.0087117359,0.0087117359,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Fe-O-Y,20.0,AB3C_hP10_194_c_bf_a:Fe-O-Y +mp-1416093,YFeO3,-8.454524802,-2.4992131106,0.3405559809,0.3405559809,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Y,5.0,AB3C_cP5_221_b_c_a:Fe-O-Y +mp-1299640,Y(FeO2)2,-8.5884184279,-2.4179515167,0.0352068931,0.0352068931,GGA+U,P2/m,A2B4C_mP14_10_mn_2m2n_ae:Fe-O-Y,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_2i_8i_ae:Fe-O-Y, expected Y(FeO4)2 to be Y(FeO2)2" +mp-1279116,Y(FeO2)2,-8.6085156057,-2.4380486945,0.0151097153,0.0151097153,GGA+U,P2_1/m,A2B4C_mP14_11_2e_4e_e:Fe-O-Y,14.0,"Invalid WP multiplicities - A2B4C_mP14_11_2e_6e_e:Fe-O-Y, expected Y(FeO3)2 to be Y(FeO2)2" +mp-557783,Y(FeO2)2,-8.574891551,-2.4044246398,0.04873377,0.04873377,GGA+U,C2/m,A2B4C_mC42_12_3i_6i_ai:Fe-O-Y,21.0,"Invalid WP multiplicities - A2B4C_mC42_12_4i_10i_a2i:Fe-O-Y, expected Y5(Fe2O5)4 to be Y(FeO2)2" +mp-1293833,Y(FeO2)2,-8.6046555486,-2.4341886374,0.0189697724,0.0189697724,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Fe-O-Y,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_2i_8i_i:Fe-O-Y, expected Y(FeO4)2 to be Y(FeO2)2" +mp-1280748,Y(FeO2)2,-8.6174258536,-2.4469589424,0.0061994674,0.0061994674,GGA+U,C2/m,A2B4C_mC28_12_2i_4i_i:Fe-O-Y,14.0,"Invalid WP multiplicities - A2B4C_mC28_12_3i_8i_i:Fe-O-Y, expected YFe3O8 to be Y(FeO2)2" +mp-1045493,Y(FeO2)2,-8.5162864414,-2.3458195302,0.1073388796,0.1073388796,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Fe-O-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h3i_c:Fe-O-Y, expected Y(FeO6)2 to be Y(FeO2)2" +mp-1405822,Y(FeO2)2,-8.4753972171,-2.304930306,0.1482281038,0.1482281038,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Fe-O-Y,14.0,A2B4C_tI28_88_c_f_b:Fe-O-Y +mp-19171,Y(FeO2)2,-8.5748847307,-2.4044178195,0.0487405903,0.0487405903,GGA+U,R-3m,A2B4C_hR21_166_c_2c_a:Fe-O-Y,14.0,A2B4C_hR21_166_c_2c_a:Fe-O-Y +mp-1408959,Y(FeO2)2,-8.4218446729,-2.2513777617,0.2017806481,0.2017806481,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Fe-O-Y,14.0,A2B4C_cF56_227_c_e_b:Fe-O-Y +mp-1220713,Nb4P2S21,-6.0533433807,-0.938629589,0.0,-0.0085449644,GGA,C2,A4B2C21_mC108_5_4c_2c_21c:Nb-P-S,54.0,A4B2C21_mC108_5_4c_2c_21c:Nb-P-S +mp-27471,NbPS,-7.5157729783,-0.9654205072,0.0626739889,0.0626739889,GGA,Immm,ABC_oI12_71_e_g_f:Nb-P-S,6.0,ABC_oI12_71_e_g_f:Nb-P-S +mp-648932,Nb2PS10,-6.1181964375,-0.9658571102,0.0,-0.0150590468,GGA,P2_12_12,A2BC10_oP52_18_2c_c_10c:Nb-P-S,52.0,"Invalid WP multiplicities - A2BC10_oP52_18_6c_c_33c:Nb-P-S, expected Nb6PS33 to be Nb2PS10" +mp-559923,Nb(PS4)2,-5.7149282889,-0.8040638354,0.0,-0.0252037606,GGA,Cmce,AB2C8_oC88_64_d_g_2f3g:Nb-P-S,44.0,"Invalid WP multiplicities - AB2C8_oC88_64_d_g_8f14g:Nb-P-S, expected Nb(PS18)2 to be Nb(PS4)2" +mp-28130,Nb(PS4)2,-5.7076121927,-0.7967477392000001,0.0073160961,-0.0178876644,GGA,P-4n2,AB2C8_tP44_118_f_i_4i:Nb-P-S,44.0,"Invalid WP multiplicities - AB2C8_tP44_118_f_i_6i:Nb-P-S, expected Nb(PS6)2 to be Nb(PS4)2" +mp-560847,Nb2TlPS10,-5.9070693114,-0.953993997,0.0,-0.0077433167,GGA,Pc,A2BC10D_mP28_7_2a_a_10a_a:Nb-P-S-Tl,28.0,"Invalid WP multiplicities - A2BC10D_mP28_7_2a_a_18a_a:Nb-P-S-Tl, expected Nb2TlPS18 to be Nb2TlPS10" +mp-1190941,Sr(BO4)2,-6.3910731136,-1.4254561423,0.5627125852,0.5627125852,GGA,P-1,A2B8C_aP22_2_2i_8i_i:B-O-Sr,22.0,A2B8C_aP22_2_2i_8i_i:B-O-Sr +mp-1204298,Sr(BO4)2,-6.4075574511,-1.4419404798,0.5462282477,0.5462282477,GGA,P2_1/c,A2B8C_mP88_14_4e_16e_2e:B-O-Sr,88.0,A2B8C_mP88_14_4e_16e_2e:B-O-Sr +mp-1218788,Sr2Mn3(BO5)2,-7.9367913288,-2.4255734796,0.1889233148,0.1889233148,GGA+U,Pm,A2B3C10D2_mP17_6_2a_a2b_6a4b_ab:B-Mn-O-Sr,17.0,A2B3C10D2_mP17_6_2a_a2b_6a4b_ab:B-Mn-O-Sr +mp-1199954,Mn(BO2)2,-8.6584127705,-2.6144765307,0.0401718779,0.0401718779,GGA+U,P2_1/c,A2BC4_mP56_14_4e_2e_8e:B-Mn-O,56.0,A2BC4_mP56_14_4e_2e_8e:B-Mn-O +mp-19185,Mn3(BO3)2,-8.848231846800001,-2.4368716936,0.0,-0.0345033177,GGA+U,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Mn-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_2a2f_gh:B-Mn-O, expected Mn3BO3 to be Mn3(BO3)2" +mp-559330,Sr4B14O25,-8.2544982535,-3.0466685701,0.0,-0.0114677774,GGA,Cmc2_1,A14B25C4_oC172_36_7b_5a10b_4a:B-O-Sr,86.0,"Invalid WP multiplicities - A14B25C4_oC172_36_25b_10a37b_8a:B-O-Sr, expected Sr4B25O42 to be Sr4B14O25" +mp-5401,Sr2B2O5,-7.8168893103,-3.2089766431,0.0,-0.0101598751,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:B-O-Sr,36.0,A2B5C2_mP36_14_2e_5e_2e:B-O-Sr +mp-1278986,MnBO3,-8.5338120395,-2.3975174002,0.029832767,0.029832767,GGA+U,P-1,ABC3_aP20_2_2i_abeh_6i:B-Mn-O,20.0,"Invalid WP multiplicities - ABC3_aP20_2_4i_abeh_12i:B-Mn-O, expected Mn(BO3)2 to be MnBO3" +mp-1289597,MnBO3,-8.5457817935,-2.4094871542,0.017863013,0.017863013,GGA+U,C2/c,ABC3_mC20_15_e_c_ef:B-Mn-O,20.0,"Invalid WP multiplicities - ABC3_mC20_15_e_a_e2f:B-Mn-O, expected MnBO5 to be MnBO3" +mp-761288,MnBO3,-8.521729229,-2.3854345897,0.0419155775,0.0419155775,GGA+U,R-3c,ABC3_hR30_167_a_b_e:B-Mn-O,10.0,ABC3_hR30_167_a_b_e:B-Mn-O +mp-25296,MnBO3,-8.3403650413,-2.204070402,0.2232797651,0.2232797651,GGA+U,P-6,ABC3_hP15_174_acf_k_2jk:B-Mn-O,15.0,"Invalid WP multiplicities - ABC3_hP15_174_acf_k_4jk:B-Mn-O, expected MnBO5 to be MnBO3" +mp-1185996,MnBO3,-7.485155182,-1.3488605427,1.0784896245,1.0784896245,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:B-Mn-O,5.0,ABC3_cP5_221_b_a_c:B-Mn-O +mp-28943,Mn2BO4,-8.7582287636,-2.3596320207,0.0,-0.0067396836,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:B-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_2e_10e:B-Mn-O, expected Mn2BO10 to be Mn2BO4" +mp-1208718,Sr4Mn3BO10,-7.7536329722,-2.7319497182,0.0096518109,0.0096518109,GGA+U,Amm2,AB3C10D4_oC36_38_a_3a_3a3b2d_2e:B-Mn-O-Sr,36.0,"Invalid WP multiplicities - AB3C10D4_oC36_38_a_6a_3a3b2d_2e:B-Mn-O-Sr, expected Sr4Mn6BO10 to be Sr4Mn3BO10" +mp-1208742,Sr4Mn3BO10,-7.7567764136,-2.7350931596,0.0065083695,0.0065083695,GGA+U,Amm2,AB3C10D4_oC36_38_a_ad_ab3de_2e:B-Mn-O-Sr,36.0,"Invalid WP multiplicities - AB3C10D4_oC36_38_a_2a2d_ab3de_2e:B-Mn-O-Sr, expected Sr4Mn6BO10 to be Sr4Mn3BO10" +mp-1180602,Mn(BO4)4,-6.1095550495,-0.6320978231000001,0.9587703327,0.9587703327,GGA+U,P-1,A4BC16_aP42_2_4i_i_16i:B-Mn-O,42.0,A4BC16_aP42_2_4i_i_16i:B-Mn-O +mp-1180660,Mn(BO4)4,-6.2479653843,-0.7705081578,0.8203599979,0.8203599979,GGA+U,P-1,A4BC16_aP42_2_4i_i_16i:B-Mn-O,42.0,A4BC16_aP42_2_4i_i_16i:B-Mn-O +mp-1181758,Mn(BO4)4,-6.3147287645,-0.8372715381,0.7535966177000001,0.7535966177000001,GGA+U,P-1,A4BC16_aP42_2_4i_i_16i:B-Mn-O,42.0,A4BC16_aP42_2_4i_i_16i:B-Mn-O +mp-1202374,Mn(BO4)4,-6.1472285807,-0.6697713543,0.9210968015,0.9210968015,GGA+U,P-1,A4BC16_aP42_2_4i_i_16i:B-Mn-O,42.0,A4BC16_aP42_2_4i_i_16i:B-Mn-O +mp-1202491,Mn(BO4)4,-6.5022394614,-1.024782235,0.5660859208,0.5660859208,GGA+U,P-1,A4BC16_aP42_2_4i_i_16i:B-Mn-O,42.0,A4BC16_aP42_2_4i_i_16i:B-Mn-O +mp-9749,Sr(BO2)2,-8.1006982632,-3.1242651432,0.0,-0.0149920307,GGA,Pbcn,A2B4C_oP28_60_d_2d_c:B-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_60_d_3d_c:B-O-Sr, expected Sr(BO3)2 to be Sr(BO2)2" +mp-8878,Sr(BO2)2,-8.0662030521,-3.0897699321,0.0344952111,0.0195031804,GGA,Pa-3,A2B4C_cP84_205_d_2d_ac:B-O-Sr,84.0,"Invalid WP multiplicities - A2B4C_cP84_205_d_3d_ac:B-O-Sr, expected Sr(BO3)2 to be Sr(BO2)2" +mp-1219888,Sr10Mn8B2O25,-7.7385779363,-2.6893099765,0.0185036683,0.0185036683,GGA+U,C2,A2B8C25D10_mC180_5_2c_2a7c_ab24c_10c:B-Mn-O-Sr,,"Invalid WP multiplicities - A2B8C25D10_mC180_5_3c_2a13c_ab48c_20c:B-Mn-O-Sr, expected Sr20Mn14B3O49 to be Sr10Mn8B2O25" +mp-16432,Sr3(BO3)2,-7.6196583627,-3.246258711,0.0,-0.0611456407,GGA,R-3c,A2B6C3_hR66_167_c_f_e:B-O-Sr,22.0,A2B6C3_hR66_167_c_f_e:B-O-Sr +mp-1196359,SrB8O15,-7.920807005,-2.5322670763,0.1616769044,0.1616769044,GGA,P2_1,A8B15C_mP48_4_8a_15a_a:B-O-Sr,48.0,A8B15C_mP48_4_8a_15a_a:B-O-Sr +mp-12209,MnB4O7,-8.6299963492,-2.7544627363,0.0,-0.0631765575,GGA+U,Pbca,A4BC7_oP96_61_4c_c_7c:B-Mn-O,96.0,A4BC7_oP96_61_4c_c_7c:B-Mn-O +mp-557663,MnB4O7,-8.5692613923,-2.6937277794,0.0607349569,-0.0024416006,GGA+U,Cmcm,A4BC7_oC48_63_eg_c_cgh:B-Mn-O,48.0,A4BC7_oC48_63_eg_c_cgh:B-Mn-O +mp-5540,SrB4O7,-8.2707061842,-3.0178827245,0.0068223918,0.0068223918,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:B-O-Sr,24.0,"Invalid WP multiplicities - A4B7C_oP24_31_3b_a6b_a:B-O-Sr, expected SrB6O13 to be SrB4O7" +mp-1020670,SrB4O7,-8.2686460081,-3.0158225484,0.0088825679,0.0088825679,GGA,P3,A4B7C_hP108_143_12d_21d_abc2d:B-O-Sr,108.0,A4B7C_hP108_143_12d_21d_abc2d:B-O-Sr +mp-1198355,Sr2(BO2)11,-7.6654240234,-2.3602969368,0.3214621603,0.3214621603,GGA,P2_1,A11B22C2_mP70_4_11a_22a_2a:B-O-Sr,70.0,A11B22C2_mP70_4_11a_22a_2a:B-O-Sr +mp-684018,SrB8O13,-8.3675562002,-2.938847979,0.0,-0.0189203154,GGA,P2_1/c,A8B13C_mP176_14_16e_26e_2e:B-O-Sr,176.0,"Invalid WP multiplicities - A8B13C_mP176_14_64e_99e_4e:B-O-Sr, expected Sr4B64O99 to be SrB8O13" +mp-1179473,Sr(B3O7)2,-7.2017306021,-1.91508841,0.4885096123,0.4885096123,GGA,P2_1/c,A6B14C_mP84_14_6e_14e_e:B-O-Sr,84.0,A6B14C_mP84_14_6e_14e_e:B-O-Sr +mp-505442,Mn3BO5,-8.8199590811,-2.2756389474,0.0112245242,0.0112245242,GGA+U,Pbam,AB3C5_oP36_55_g_adgh_3g2h:B-Mn-O,36.0,AB3C5_oP36_55_g_adgh_3g2h:B-Mn-O +mp-1189346,SrB12O7,-6.9307197405,-1.1072689564,0.7718150876000001,0.7718150876000001,GGA,R3,A12B7C_hR60_146_4b_a2b_a:B-O-Sr,20.0,A12B7C_hR60_146_4b_a2b_a:B-O-Sr +mp-1189840,SrBO3,-7.4675276725,-2.8257374009,0.0623415779,0.0623415779,GGA,Pnma,AB3C_oP20_62_c_cd_c:B-O-Sr,20.0,AB3C_oP20_62_c_cd_c:B-O-Sr +mp-758727,CuCO3,-6.9477382816,-1.3141506223,0.1254281724,0.1254281724,GGA,P1,ABC3_aP45_1_9a_9a_27a:C-Cu-O,45.0,ABC3_aP45_1_9a_9a_27a:C-Cu-O +mp-1178374,CuCO3,-6.988052127,-1.3544644678,0.085114327,0.085114327,GGA,P-1,ABC3_aP10_2_i_i_3i:C-Cu-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:C-Cu-O, expected CuCO5 to be CuCO3" +mp-1080068,CuCO3,-6.943846078,-1.3102584187,0.129320376,0.129320376,GGA,P2_1,ABC3_mP10_4_a_a_3a:C-Cu-O,10.0,ABC3_mP10_4_a_a_3a:C-Cu-O +mp-27249,CuCO3,-6.9327557760000005,-1.2991681168,0.140410678,0.140410678,GGA,Cm,ABC3_mC10_8_a_a_ab:C-Cu-O,5.0,ABC3_mC10_8_a_a_ab:C-Cu-O +mp-760595,CuCO3,-6.970161019,-1.3365733597,0.103005435,0.103005435,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-Cu-O,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_9e:C-Cu-O, expected CuCO9 to be CuCO3" +mp-760536,CuCO3,-6.9414154660000005,-1.3078278068,0.131750988,0.131750988,GGA,P-6,ABC3_hP15_174_acf_j_2jk:C-Cu-O,15.0,"Invalid WP multiplicities - ABC3_hP15_174_acf_j_4j2k:C-Cu-O, expected CuCO6 to be CuCO3" +mp-1192764,Cu3(CO4)2,-6.7264768973,-1.3165953062,0.0,-0.0336424068,GGA,P2_1/c,A2B3C8_mP26_14_e_ae_4e:C-Cu-O,26.0,A2B3C8_mP26_14_e_ae_4e:C-Cu-O +mp-1213666,CuC5O8,-6.7440999498,-0.3286682482,1.1887694075,1.1887694075,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:C-Cu-O,112.0,A5BC8_oP112_61_5c_c_8c:C-Cu-O +mp-1104057,Cu(CO2)2,-7.01383578,-0.9647939943,0.5526436614,0.5526436614,GGA,P2_1/c,A2BC4_mP14_14_e_a_2e:C-Cu-O,14.0,A2BC4_mP14_14_e_a_2e:C-Cu-O +mp-556202,Cu(CO)4,-7.5670105439,-0.8113857122,0.3688435756,0.3688435756,GGA,C2/c,A4BC4_mC36_15_2f_e_2f:C-Cu-O,18.0,"Invalid WP multiplicities - A4BC4_mC36_15_5f_e_4f:C-Cu-O, expected Cu(C5O4)2 to be Cu(CO)4" +mp-1192806,Cu(CO2)4,-7.5021699027,-1.3031408004,0.3310228288,0.3310228288,GGA,P2_1/c,A4BC8_mP26_14_2e_a_4e:C-Cu-O,26.0,A4BC8_mP26_14_2e_a_4e:C-Cu-O +mp-1222244,MnCu(CO3)4,-7.2091641947,-1.1238226132,0.4777729452,0.4777729452,GGA+U,P2_1/c,A4BCD12_mP36_14_2e_a_d_6e:C-Cu-Mn-O,36.0,A4BCD12_mP36_14_2e_a_b_6e:C-Cu-Mn-O +mp-1181749,Cu(CO4)2,-6.4198654041,-0.7716792818,0.3907409048,0.3907409048,GGA,P2_1/c,A2BC8_mP22_14_e_a_4e:C-Cu-O,22.0,A2BC8_mP22_14_e_a_4e:C-Cu-O +mp-1192899,Cu(CO4)2,-6.4104819386,-0.7622958164,0.4001243703,0.4001243703,GGA,P2_1/c,A2BC8_mP22_14_e_a_4e:C-Cu-O,22.0,A2BC8_mP22_14_e_a_4e:C-Cu-O +mp-1196187,Cu2CO5,-6.3466797278,-1.0766144292,0.1234149421,0.1234149421,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:C-Cu-O,32.0,AB2C5_mP32_14_e_2e_5e:C-Cu-O +mp-1198809,Cu2CO5,-6.3542125709,-1.0841472723,0.115882099,0.115882099,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:C-Cu-O,32.0,AB2C5_mP32_14_e_2e_5e:C-Cu-O +mp-1232365,Cu27CO,-4.0821837107,0.2231243684,0.3146938821,0.3146938821,GGA,P3m1,AB27C_hP29_156_a_abc6de_a:C-Cu-O,29.0,"Invalid WP multiplicities - AB27C_hP29_156_a_abc18d6e_a:C-Cu-O, expected Cu93CO to be Cu27CO" +mp-1201134,Cu(CO3)2,-6.607963815,-0.8038893792,0.6168464045000001,0.6168464045000001,GGA,P2_1/c,A2BC6_mP36_14_2e_ad_6e:C-Cu-O,36.0,A2BC6_mP36_14_2e_ad_6e:C-Cu-O +mp-734333,Ca(NO4)2,-6.2580386055,-0.9623932036,0.2843136011,0.2843136011,GGA,C2/c,AB2C8_mC44_15_e_f_4f:Ca-N-O,22.0,AB2C8_mC44_15_e_f_4f:Ca-N-O +mp-1245388,Ca7HfN6,-6.4192858232,-1.1324745561,0.052495528,0.052495528,GGA,Ibam,A7BC6_oI56_72_ajk_b_jk:Ca-Hf-N,28.0,A7BC6_oI56_72_ajk_b_jk:Ca-Hf-N +mp-3142,Ca(NO3)2,-6.8969440944,-1.5237527614,0.0,-0.3087936213,GGA,Pa-3,AB2C6_cP36_205_a_c_d:Ca-N-O,36.0,AB2C6_cP36_205_a_c_d:Ca-N-O +mp-1245479,Ca5Hf2N6,-7.3970943719,-1.246221525,0.2171112373,0.2171112373,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ca-Hf-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ca-Hf-N +mp-1029730,Ca4HfN4,-7.0275752289,-1.3247343122,0.0,-0.0172132603,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ca-Hf-N,18.0,A4BC4_aP18_2_4i_i_4i:Ca-Hf-N +mp-1029359,CaHfN2,-8.934123965,-1.7751792750000002,0.0,-0.2117818339,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Hf-N,4.0,ABC2_hR12_166_a_b_c:Ca-Hf-N +mp-1182399,Ca(NO5)2,-5.7991425333,-0.5571827762,0.4977229817,0.4977229817,GGA,P2_1/c,AB2C10_mP52_14_e_2e_10e:Ca-N-O,52.0,AB2C10_mP52_14_e_2e_10e:Ca-N-O +mp-1200135,Ca(NO5)2,-5.7860964373,-0.5441366802000001,0.5107690777,0.5107690777,GGA,P2_1/c,AB2C10_mP52_14_e_2e_10e:Ca-N-O,52.0,AB2C10_mP52_14_e_2e_10e:Ca-N-O +mp-1233055,CaHf8(N2O)4,-10.2093550929,-2.2026014564,0.3015384665,0.3015384665,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233057,CaHf8(N2O)4,-10.3292337414,-2.322480105,0.1816598179,0.1816598179,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233078,CaHf8(N2O)4,-10.2066075481,-2.1998539117,0.3042860112,0.3042860112,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233133,CaHf8(N2O)4,-10.2249482543,-2.2181946179,0.2859453051,0.2859453051,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233256,CaHf8(N2O)4,-10.22033101,-2.2135773736,0.2905625493,0.2905625493,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233710,CaHf8(N2O)4,-10.3099923467,-2.3032387102,0.2009012127,0.2009012127,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-1233956,CaHf8(N2O)4,-10.3127465614,-2.305992925,0.1981469979,0.1981469979,GGA,P1,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O,21.0,AB8C8D4_aP21_1_a_8a_8a_4a:Ca-Hf-N-O +mp-19815,Eu2VO4,-10.1448294686,-3.089877395,0.0,-0.062589245,GGA+U,I4/mmm,A2B4C_tI14_139_e_ce_a:Eu-O-V,7.0,A2B4C_tI14_139_e_ce_a:Eu-O-V +mp-1212877,Eu3V2O7,-9.9723704267,-3.0085672168,0.0303796477,0.0303796477,GGA+U,I4/mmm,A3B7C2_tI24_139_ae_beg_e:Eu-O-V,12.0,A3B7C2_tI24_139_ae_beg_e:Eu-O-V +mp-1213429,EuVO2,-9.6787832944,-2.3702119713,0.3334307494,0.3334307494,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Eu-O-V,16.0,AB2C_tI32_141_c_h_d:Eu-O-V +mp-1198609,EuV(SeO4)2,-7.4997470556,-2.007560346,0.0,-0.0143406056,GGA+U,P2_1/m,AB8C2D_mP48_11_2e_6e5f_4e_f:Eu-O-Se-V,48.0,AB8C2D_mP48_11_2e_6e5f_4e_f:Eu-O-Se-V +mp-1184327,Eu3V,-9.47168004,0.4920478275,0.4920478275,0.4920478275,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-V,4.0,A3B_tI8_139_ad_b:Eu-V +mp-1184340,Eu3V,-9.489554055,0.4741738125,0.4741738125,0.4741738125,GGA,Fm-3m,A3B_cF16_225_ac_b:Eu-V,4.0,A3B_cF16_225_ac_b:Eu-V +mp-1099750,Eu2V2O5,-9.8749135967,-2.8287736749,0.0439663489,0.0439663489,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:Eu-O-V,18.0,A2B5C2_oI36_46_c_b2c_ab:Eu-O-V +mp-1178351,EuVO3,-9.8038389225,-2.9676441218000003,0.0,-0.0507031161,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Eu-O-V, expected EuVO7 to be EuVO3" +mp-756315,EuVO3,-9.772729818,-2.9365350173,0.0311091045,-0.0195940116,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-V,5.0,AB3C_cP5_221_a_c_b:Eu-O-V +mp-22796,EuVO4,-9.35272483,-2.8314477108,0.0,-0.168500498,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Eu-O-V,12.0,AB4C_tI24_141_a_h_b:Eu-O-V +mp-1095395,EuVO4,-9.3267987342,-2.805521615,0.0259260958,-0.1425744022,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Eu-O-V,12.0,AB4C_tI24_88_a_f_b:Eu-O-V +mp-1211551,KDyBeF6,-6.2254121522,-3.900359657,0.0,-0.0130293033,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-K,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-K +mp-1212010,K2DyF5,-5.8210079334,-3.772885487,0.0,-0.015264635,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Dy-F-K,32.0,AB5C2_oP32_62_c_3cd_d:Dy-F-K +mp-1211612,KDy3F10,-6.73114725,-4.2993223113,0.0,-0.0299394391,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Dy-F-K,28.0,A3B10C_cF112_225_e_fh_c:Dy-F-K +mp-1211654,K3DyF6,-5.546630192,-3.6059444434,0.0,-0.0004519493,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Dy-F-K,20.0,AB6C3_mP20_14_a_3e_be:Dy-F-K +mp-1205544,K3DyF6,-5.443105571,-3.5024198224000003,0.103524621,0.1030726717,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Dy-F-K,10.0,AB6C3_tI20_139_a_ei_bd:Dy-F-K +mp-1211650,K3DyF6,-5.477553913,-3.5368681644,0.069076279,0.0686243297,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Dy-F-K,10.0,AB6C3_cF40_225_a_e_bc:Dy-F-K +mp-30309,Y2Au5F21,-4.7033714773,-2.2232496722,0.0,-0.0148097245,GGA,P2/c,A5B21C2_mP56_13_e2g_b10g_g:Au-F-Y,56.0,"Invalid WP multiplicities - A5B21C2_mP56_13_e3g_b11g_g:Au-F-Y, expected Y2Au7F23 to be Y2Au5F21" +mp-1111399,Rb2YAuF6,-5.32387816,-3.0068486537,0.1524609981,0.1524609981,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Y +mp-985278,AcF3,-6.8793067925,-4.415403815,0.0,-4.415403815,GGA,I4/mmm,AB3_tI8_139_a_bd:Ac-F,4.0,AB3_tI8_139_a_bd:Ac-F +mp-977360,AcF3,-6.8744968075,-4.41059383,0.004809985,-4.41059383,GGA,Fm-3m,AB3_cF16_225_a_bc:Ac-F,4.0,AB3_cF16_225_a_bc:Ac-F +mp-864606,AcCuO3,-7.035745362,-2.4236557998,0.0,-0.1374937744,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Cu-O,5.0,ABC3_cP5_221_a_b_c:Ac-Cu-O +mp-1232311,AcCuO2F,-6.640930369,-2.6358827555,0.237868241,0.237868241,GGA,I4/mcm,ABCD2_tI20_140_b_c_a_h:Ac-Cu-F-O,10.0,ABCD2_tI20_140_b_c_a_h:Ac-Cu-F-O +mp-36526,AcOF,-7.82041183,-4.1606309346,0.0,-0.1213227578,GGA,F-43m,ABC_cF12_216_c_a_b:Ac-F-O,3.0,ABC_cF12_216_c_a_b:Ac-F-O +mp-19413,AlWO4,-8.7146265,-2.6328830158,0.05067454,0.0351482668,GGA+U,C2/m,AB4C_mC24_12_i_2ij_g:Al-O-W,12.0,AB4C_mC24_12_i_2ij_g:Al-O-W +mp-1182867,AlWO4,-8.76530104,-2.6835575558,0.0,-0.0155262732,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Al-O-W,6.0,AB4C_oC12_65_a_gj_c:Al-O-W +mp-1259106,Al(WO2)2,-8.7037666293,-1.6396821814,0.6758844134,0.6758844134,GGA+U,C2/c,AB4C2_mC28_15_e_2f_ac:Al-O-W,14.0,AB4C2_mC28_15_e_2f_ac:Al-O-W +mp-1400230,Al(WO2)2,-8.766692875,-1.7026084271,0.6129581677,0.6129581677,GGA+U,R-3m,AB4C2_hR42_166_c_ch_ad:Al-O-W,14.0,"Invalid WP multiplicities - AB4C2_hR42_166_c_2c2h_a2d:Al-O-W, expected Al2W7O16 to be Al(WO2)2" +mp-1041611,Mo(WO4)2,-8.9336493127,-1.9940656527,0.1515460534,0.1515460534,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Mo-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Mo-O-W, expected Mo(WO8)2 to be Mo(WO4)2" +mp-1041534,Mo(WO4)2,-8.9842273941,-2.0446437341,0.100967972,0.100967972,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Mo-O-W,22.0,AB8C2_mP22_13_e_4g_g:Mo-O-W +mp-1211051,MoW11O36,-9.0588399948,-2.1533009064,0.0163231993,0.0163231993,GGA+U,Pmmm,AB36C11_oP48_47_a_ef2i2jl4w2x_bj2w:Mo-O-W,48.0,AB36C11_oP48_47_a_ef2i2jl4w2x_bj2w:Mo-O-W +mp-1041957,AlW3O8,-9.0321720592,-2.1827157083,0.17782043,0.17782043,GGA+U,P1,AB8C3_aP12_1_a_8a_3a:Al-O-W,12.0,AB8C3_aP12_1_a_8a_3a:Al-O-W +mp-1042107,AlW3O8,-9.1525700113,-2.3031136604,0.0574224779,0.0574224779,GGA+U,P-1,AB8C3_aP24_2_i_8i_3i:Al-O-W,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_14i_5i:Al-O-W, expected AlW5O14 to be AlW3O8" +mp-1047580,AlMo(WO4)2,-8.8914676675,-2.2180513267,0.1387069775,0.1387069775,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Al-Mo-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Al-Mo-O-W +mp-1041813,AlMo(WO4)2,-8.9378911429,-2.2644748021,0.0922835021,0.0922835021,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Mo-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Mo-O-W +mp-1374068,Al2(WO4)3,-8.62213123,-2.4029661191,0.1522309305,0.1522309305,GGA+U,P-1,A2B12C3_aP17_2_i_6i_ai:Al-O-W,17.0,"Invalid WP multiplicities - A2B12C3_aP17_2_i_12i_a2i:Al-O-W, expected Al2W5O24 to be Al2(WO4)3" +mp-1182999,Al2(WO4)3,-8.7125206476,-2.4933555368,0.0618415129,0.0618415129,GGA+U,P2_1,A2B12C3_mP68_4_4a_24a_6a:Al-O-W,68.0,"Invalid WP multiplicities - A2B12C3_mP68_4_8a_47a_11a:Al-O-W, expected Al8W11O47 to be Al2(WO4)3" +mp-542093,Al2(WO4)3,-8.714531136,-2.4953660251,0.0598310245,0.0598310245,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Al-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_10d_cd:Al-O-W, expected Al2W3O20 to be Al2(WO4)3" +mp-560318,Al2(WO4)3,-8.7134511032,-2.4942859924,0.0609110573,0.0609110573,GGA+U,P2_12_12,A2B12C3_oP68_18_2c_12c_ab2c:Al-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_43d_3c4d:Al-O-W, expected Al2W11O86 to be Al2(WO4)3" +mp-19516,Al2(WO4)3,-8.7146207179,-2.4954556071000003,0.0597414426,0.0597414426,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Al-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_7d_cd:Al-O-W, expected Al2W3O14 to be Al2(WO4)3" +mp-1397292,MoWO6,-8.7203628375,-2.0348737616,0.0237967378,0.0237967378,GGA+U,Cm,AB6C_mC16_8_a_2a2b_a:Mo-O-W,8.0,"Invalid WP multiplicities - AB6C_mC16_8_a_2a4b_a:Mo-O-W, expected MoWO10 to be MoWO6" +mp-1394099,MoWO6,-8.7034900681,-2.0180009922,0.0406695072,0.0406695072,GGA+U,P2_1/c,AB6C_mP16_14_a_3e_d:Mo-O-W,16.0,AB6C_mP16_14_a_3e_b:Mo-O-W +mp-1221457,MoWO6,-8.73366597,-2.0481768941,0.0104936053,0.0104936053,GGA+U,Amm2,AB6C_oC16_38_a_cde_b:Mo-O-W,8.0,AB6C_oC16_38_a_cde_b:Mo-O-W +mp-1266390,Al2W2O7,-8.548191815,-2.3632615333,0.3059803073,0.3059803073,GGA+U,P1,A2B7C2_aP22_1_4a_14a_4a:Al-O-W,22.0,A2B7C2_aP22_1_4a_14a_4a:Al-O-W +mp-1342803,Al2W2O7,-8.4136139295,-2.2286836478,0.4405581927,0.4405581927,GGA+U,P-1,A2B7C2_aP22_2_abcd_7i_efgh:Al-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_abcd_13i_efgh:Al-O-W, expected Al2W2O13 to be Al2W2O7" +mp-561337,Al2W5O16,-8.8536994061,-2.2698375717,0.1584125782,0.1584125782,GGA+U,I4/mmm,A2B16C5_tI46_139_d_c3e2g_a2e:Al-O-W,23.0,A2B16C5_tI46_139_d_c3e2g_a2e:Al-O-W +mp-1186090,Mo2W2O5,-8.2868824889,-0.2489931293,1.4464172486,1.4464172486,GGA+U,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Mo-O-W,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Mo-O-W, expected Mo2W2O9 to be Mo2W2O5" +mp-1046804,AlWO3,-8.653441592,-2.3446871532,0.2858516632,0.2858516632,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Al-O-W,20.0,AB3C_oP20_62_c_cd_a:Al-O-W +mp-1251647,AlWO3,-8.3911596487,-2.0824052099,0.5481336066,0.5481336066,GGA+U,P6_3cm,AB3C_hP30_185_ab_ab2c_c:Al-O-W,30.0,AB3C_hP30_185_ab_ab2c_c:Al-O-W +mp-1400236,AlWO3,-8.202397247,-1.8936428082,0.7368960082,0.7368960082,GGA+U,P6_3/mmc,AB3C_hP10_194_a_bf_c:Al-O-W,10.0,AB3C_hP10_194_a_bf_c:Al-O-W +mp-1417649,AlWO3,-7.760853984,-1.4520995453,1.1784392712,1.1784392712,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-W,5.0,AB3C_cP5_221_a_c_b:Al-O-W +mp-1111920,K2NaAuF6,-4.160249456,-2.3316415568,0.088205185,0.088205185,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Na +mp-632348,YbHO2,-5.8969677612,-2.1905398244,0.1054050055,0.1054050055,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:H-O-Yb,,AB2C_mP8_11_e_2e_e:H-O-Yb +mp-625103,YbHO2,-5.9164415056,-2.2100135687,0.0859312611,0.0859312611,GGA,P-42_1m,AB2C_tP16_113_e_ace_e:H-O-Yb,,AB2C_tP16_113_e_ace_e:H-O-Yb +mp-1216487,YbH18(BrO6)3,-5.0166514736,-1.1089475016,0.0,-0.018351244,GGA,P6_3mc,A3B18C18D_hP80_186_c_3d_4cd_b:Br-H-O-Yb,,"Invalid WP multiplicities - A3B18C18D_hP80_186_c_5d_6cd_b:Br-H-O-Yb, expected YbH30(BrO8)3 to be YbH18(BrO6)3" +mp-625641,H9BrO4,-4.8839675975,-1.1786591989,0.0201892754,0.019927778,GGA,P1,AB9C4_aP56_1_4a_36a_16a:Br-H-O,56.0,AB9C4_aP56_1_4a_36a_16a:Br-H-O +mp-625653,H9BrO4,-4.8784634841,-1.1731550855,0.0256933887,0.0254318914,GGA,P1,AB9C4_aP56_1_4a_36a_16a:Br-H-O,56.0,AB9C4_aP56_1_4a_36a_16a:Br-H-O +mp-673460,H9BrO4,-3.7214254934,-0.0161170948,1.1827313795,1.1824698821,GGA,P1,AB9C4_aP56_1_4a_36a_16a:Br-H-O,56.0,AB9C4_aP56_1_4a_36a_16a:Br-H-O +mp-625661,H9BrO4,-4.9041568729,-1.1988484743,0.0,-0.0002614973,GGA,P1,AB9C4_aP56_1_4a_36a_16a:Br-H-O,56.0,AB9C4_aP56_1_4a_36a_16a:Br-H-O +mp-625687,H9BrO4,-4.8865615287,-1.1812531302,0.0175953441,0.0173338468,GGA,P1,AB9C4_aP56_1_4a_36a_16a:Br-H-O,56.0,AB9C4_aP56_1_4a_36a_16a:Br-H-O +mp-625604,H9BrO4,-4.8761611716,-1.170852773,0.0279957013,0.0277342039,GGA,P2_1,AB9C4_mP56_4_2a_18a_8a:Br-H-O,56.0,"Invalid WP multiplicities - AB9C4_mP56_4_2a_33a_8a:Br-H-O, expected H33(BrO4)2 to be H9BrO4" +mp-625614,H9BrO4,-4.886260798,-1.1809523995,0.0178960748,0.0176345775,GGA,P2_1,AB9C4_mP56_4_2a_18a_8a:Br-H-O,56.0,"Invalid WP multiplicities - AB9C4_mP56_4_2a_35a_8a:Br-H-O, expected H35(BrO4)2 to be H9BrO4" +mp-625616,H9BrO4,-4.8952800702,-1.1899716716,0.0088768027,0.0086153054,GGA,P2_1,AB9C4_mP56_4_2a_18a_8a:Br-H-O,56.0,"Invalid WP multiplicities - AB9C4_mP56_4_2a_34a_8a:Br-H-O, expected H17BrO4 to be H9BrO4" +mp-625632,H9BrO4,-4.8797426489,-1.1744342504,0.0244142239,0.0241527266,GGA,P2_1,AB9C4_mP56_4_2a_18a_8a:Br-H-O,56.0,"Invalid WP multiplicities - AB9C4_mP56_4_2a_34a_8a:Br-H-O, expected H17BrO4 to be H9BrO4" +mp-625652,H9BrO4,-4.8541951427,-1.1488867441,0.0499617302,0.0497002329,GGA,P2_1,AB9C4_mP56_4_2a_18a_8a:Br-H-O,56.0,"Invalid WP multiplicities - AB9C4_mP56_4_2a_35a_8a:Br-H-O, expected H35(BrO4)2 to be H9BrO4" +mp-625572,H5BrO2,-4.6779689938,-1.1267144966,0.0094247379,0.0094247379,GGA,P1,AB5C2_aP32_1_4a_20a_8a:Br-H-O,32.0,AB5C2_aP32_1_4a_20a_8a:Br-H-O +mp-625578,H5BrO2,-4.6756482238,-1.1243937266,0.0117455079,0.0117455079,GGA,P1,AB5C2_aP32_1_4a_20a_8a:Br-H-O,32.0,AB5C2_aP32_1_4a_20a_8a:Br-H-O +mp-673439,H5BrO2,-2.5501080191,1.0011464781,2.1372857126,2.1372857126,GGA,P1,AB5C2_aP32_1_4a_20a_8a:Br-H-O,32.0,AB5C2_aP32_1_4a_20a_8a:Br-H-O +mp-28014,H5BrO2,-4.6861758463,-1.1349213491,0.0012178854,0.0012178854,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Br-H-O,32.0,AB5C2_mP32_14_e_5e_2e:Br-H-O +mp-625583,H7BrO3,-4.7936911295,-1.1444023315,0.0316427829,0.0316427829,GGA,P1,AB7C3_aP22_1_2a_14a_6a:Br-H-O,22.0,AB7C3_aP22_1_2a_14a_6a:Br-H-O +mp-625560,H7BrO3,-4.8094334595,-1.1601446615,0.0159004529,0.0159004529,GGA,Cc,AB7C3_mC44_9_a_7a_3a:Br-H-O,22.0,"Invalid WP multiplicities - AB7C3_mC44_9_a_14a_4a:Br-H-O, expected H14BrO4 to be H7BrO3" +mp-626421,Yb(HO)3,-5.5522486171,-1.7582696816,0.1031505156,0.1031505156,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Yb,,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Yb, expected Yb(HO)6 to be Yb(HO)3" +mp-626413,Yb(HO)3,-5.5537314471,-1.7597525116,0.1016676856,0.1016676856,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Yb,,A3B3C_hP14_176_h_h_c:H-O-Yb +mp-625521,H3BrO,-4.383592362,-1.0480133268,0.000332972,-0.0279739615,GGA,Cm,AB3C_mC10_8_a_ab_a:Br-H-O,5.0,AB3C_mC10_8_a_ab_a:Br-H-O +mp-625509,H3BrO,-4.383925334,-1.0483462987,0.0,-0.0283069335,GGA,R3m,AB3C_hR15_160_a_b_a:Br-H-O,5.0,AB3C_hR15_160_a_b_a:Br-H-O +mp-1217700,Te(I3O4)2,-3.2491722747,0.1879619709,0.919443225,0.919443225,GGA,P2_1/c,A6B8C_mP30_14_3e_4e_a:I-O-Te,30.0,"Invalid WP multiplicities - A6B8C_mP30_14_9e_4e_a:I-O-Te, expected Te(I9O4)2 to be Te(I3O4)2" +mp-684006,Ag3TeIO4,-4.5129905678,-0.8573133346,0.0059017128,0.0059017128,GGA,P2_1/c,A3BC4D_mP108_14_9e_3e_12e_3e:Ag-I-O-Te,108.0,"Invalid WP multiplicities - A3BC4D_mP108_14_32e_8e_47e_8e:Ag-I-O-Te, expected Ag32Te8I8O47 to be Ag3TeIO4" +mp-23407,Hg(IO3)2,-4.476183195,-0.8172337136000001,0.0,-0.0749817817,GGA,P2_1,AB2C6_mP18_4_a_2a_6a:Hg-I-O,18.0,AB2C6_mP18_4_a_2a_6a:Hg-I-O +mp-28136,Hg2IO,-2.31404382,-0.5571898722,0.0,-0.0019023031,GGA,C2/c,A2BC_mC32_15_2f_f_f:Hg-I-O,16.0,A2BC_mC32_15_2f_f_f:Hg-I-O +mp-1197293,SrHg(IO2)4,-4.2945979496,-0.9045873133,0.3541942115,0.3541942115,GGA,Pnma,AB4C8D_oP56_62_c_2cd_2c3d_c:Hg-I-O-Sr,56.0,AB4C8D_oP56_62_c_2cd_2c3d_c:Hg-I-O-Sr +mp-1205219,Ca2UO17,-6.0689619962,-1.0991461032,0.3604298219,0.3604298219,GGA,Pbcn,A2B17C_oP80_60_d_c8d_c:Ca-O-U,80.0,A2B17C_oP80_60_d_c8d_c:Ca-O-U +mp-632927,CaUO4,-8.9146608067,-3.4007000175,0.2955731183,0.2254062265,GGA,C2/m,AB4C_mC12_12_a_2i_c:Ca-O-U,6.0,AB4C_mC12_12_a_2i_c:Ca-O-U +mp-1227039,CaUO4,-9.123721785,-3.6097609958,0.08651214,0.0163452481,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ca-O-U,6.0,AB4C_tP6_123_a_i_d:Ca-O-U +mp-3960,CaUO4,-9.210233925,-3.6962731358,0.0,-0.0701668919,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ca-O-U,6.0,AB4C_hR18_166_a_2c_b:Ca-O-U +mp-1218353,SrCaU2O8,-9.1692996692,-3.6816810822,0.0016943829,0.0016943829,GGA,R-3m,AB8CD2_hR36_166_a_4c_b_c:Ca-O-Sr-U,12.0,"Invalid WP multiplicities - AB8CD2_hR36_166_a_8c_b_c:Ca-O-Sr-U, expected SrCaU2O16 to be SrCaU2O8" +mp-17956,Ca2UO5,-8.6370992647,-3.6325925989,0.0163472138,0.0163472138,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_ab:Ca-O-U,32.0,A2B5C_mP32_14_2e_5e_ad:Ca-O-U +mp-1182619,CaU4O17,-8.4604936198,-2.4939050738,0.4849695273,0.4849695273,GGA,P-1,AB17C4_aP44_2_i_17i_4i:Ca-O-U,44.0,AB17C4_aP44_2_i_17i_4i:Ca-O-U +mp-14551,Sr2CaUO6,-8.212144473,-3.5765315666,0.0,-0.0126474188,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ca-O-Sr-U,20.0,AB6C2D_mP20_14_a_3e_e_b:Ca-O-Sr-U +mp-1188279,Ca3UO6,-8.280626242,-3.5817920502,0.0387477685,-0.0143868633,GGA,P2_1,A3B6C_mP20_4_3a_6a_a:Ca-O-U,20.0,A3B6C_mP20_4_3a_6a_a:Ca-O-U +mp-5960,Ca3UO6,-8.2816794795,-3.5828452878,0.037694531,-0.0154401008,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Ca-O-U,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_a2e_3e_b:Ca-O-U, expected Ca5UO6 to be Ca3UO6" +mp-14252,Ca3UO6,-8.3193740105,-3.6205398188,0.0,-0.0531346318,GGA,R-3,A3B6C_hR60_148_f_2f_ab:Ca-O-U,20.0,A3B6C_hR60_148_f_2f_ab:Ca-O-U +mp-30957,Pr(PO3)3,-8.0283685204,-2.9867522376,0.0,-0.0186652686,GGA,C222_1,A9B3C_oC52_20_b4c_ac_a:O-P-Pr,26.0,A9B3C_oC52_20_b4c_ac_a:O-P-Pr +mp-14817,PrP5O14,-7.8794406429,-2.8243876306,0.0,-0.0290796229,GGA,P2_1/c,A14B5C_mP80_14_14e_5e_e:O-P-Pr,80.0,"Invalid WP multiplicities - A14B5C_mP80_14_17e_5e_e:O-P-Pr, expected PrP5O17 to be PrP5O14" +mp-1101993,Pr2P2AuO,-6.5360367983,-1.7678722592,0.0,-0.0214690888,GGA,C2/m,ABC2D2_mC24_12_i_i_2i_2i:Au-O-P-Pr,12.0,ABC2D2_mC24_12_i_i_2i_2i:Au-O-P-Pr +mp-4589,PrPO4,-8.4439119483,-3.4470847639,0.0,-0.2522470292,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Pr,24.0,A4BC_mP24_14_4e_e_e:O-P-Pr +mp-1102008,PrPO4,-8.4324970967,-3.4356699122,0.0114148517,-0.2408321776,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Pr,12.0,A4BC_tI24_141_h_a_b:O-P-Pr +mp-579779,Pr2P3Au,-5.8694430183,-1.0235095133,0.0152086723,0.0152086723,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Au-P-Pr,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_8c_6c:Au-P-Pr, expected Pr6P8Au to be Pr2P3Au" +mp-1211188,PrP3O14,-6.741331656,-1.7260841431,0.4310146952,0.4310146952,GGA,P2_12_12,A14B3C_oP72_18_14c_3c_c:O-P-Pr,72.0,A14B3C_oP72_18_14c_3c_c:O-P-Pr +mp-690667,Ag7NO8,-3.7809299031,0.4526886368,0.9498346706,0.9498346706,GGA,Fm-3m,A7BC8_cF64_225_ae_b_f:Ag-N-O,16.0,A7BC8_cF64_225_ae_b_f:Ag-N-O +mp-1212692,Ge3NO6,-6.5105086821,-1.3219376064,0.5481913504,0.5481913504,GGA,I-43d,A3BC6_cI160_220_e_c_2e:Ge-N-O,80.0,A3BC6_cI160_220_e_c_2e:Ge-N-O +mp-756104,Ge11N11O5,-6.8229971541,-0.627138112,0.1471592686,0.1471592686,GGA,Cm,A11B11C5_mC54_8_7a2b_5a3b_3ab:Ge-N-O,27.0,"Invalid WP multiplicities - A11B11C5_mC54_8_7a3b_5a6b_3ab:Ge-N-O, expected Ge13N17O5 to be Ge11N11O5" +mp-777810,Ge11N11O5,-6.8223201259,-0.6264610838,0.1478362967,0.1478362967,GGA,Cm,A11B11C5_mC54_8_7a2b_5a3b_3ab:Ge-N-O,27.0,"Invalid WP multiplicities - A11B11C5_mC54_8_7a3b_5a5b_3a2b:Ge-N-O, expected Ge13N15O7 to be Ge11N11O5" +mp-754512,Ge11N11O5,-6.8190627533,-0.6232037112000001,0.1510936693,0.1510936693,GGA,R3m,A11B11C5_hR81_160_5a2b_2a3b_2ab:Ge-N-O,27.0,"Invalid WP multiplicities - A11B11C5_hR81_160_5a4b_2a4b_2ab:Ge-N-O, expected Ge17N14O5 to be Ge11N11O5" +mp-669466,AgNO3,-5.880653645,-0.6788302326,0.005029588,-0.088248197,GGA,P2_12_12_1,ABC3_oP40_19_2a_2a_6a:Ag-N-O,40.0,"Invalid WP multiplicities - ABC3_oP40_19_5a_5a_20a:Ag-N-O, expected AgNO4 to be AgNO3" +mp-638686,AgNO3,-5.8833038505,-0.6814804381,0.0023793825,-0.0908984025,GGA,Pbca,ABC3_oP40_61_c_c_3c:Ag-N-O,40.0,"Invalid WP multiplicities - ABC3_oP40_61_c_c_15c:Ag-N-O, expected AgNO15 to be AgNO3" +mp-8196,AgNO3,-5.85451189,-0.6526884776,0.031171343,-0.062106442,GGA,R3m,ABC3_hR15_160_a_a_b:Ag-N-O,5.0,ABC3_hR15_160_a_a_b:Ag-N-O +mp-552185,AgNO3,-5.885683233,-0.6838598206000001,0.0,-0.093277785,GGA,R3c,ABC3_hR30_161_a_a_b:Ag-N-O,10.0,ABC3_hR30_161_a_a_b:Ag-N-O +mp-1190337,AgN4O3,-4.8226935244,1.5546317053,1.9820440931,1.9820440931,GGA,P-62c,AB4C3_hP16_190_b_ch_h:Ag-N-O,16.0,AB4C3_hP16_190_b_ch_h:Ag-N-O +mp-37695,Ag7NO11,-4.8626720274,-0.5164634604,0.0,-0.0368837813,GGA,Fmm2,A7BC11_oF76_42_abcd_a_ac2e:Ag-N-O,19.0,"Invalid WP multiplicities - A7BC11_oF76_42_a2bc2d_a_a2c4e:Ag-N-O, expected Ag11NO21 to be Ag7NO11" +mp-34787,Ag7NO11,-4.857667,-0.511458433,0.0050050274,-0.0318787539,GGA,R3m,A7BC11_hR57_160_a2b_a_2a3b:Ag-N-O,19.0,"Invalid WP multiplicities - A7BC11_hR57_160_a5b_a_2a5b:Ag-N-O, expected Ag16NO17 to be Ag7NO11" +mp-1196708,Ge7N2O15,-6.6736173765,-1.5388458971,0.3222805564,0.3222805564,GGA,C2/c,A7B2C15_mC96_15_c3f_f_e7f:Ge-N-O,48.0,A7B2C15_mC96_15_a3f_f_e7f:Ge-N-O +mp-1212624,Ge7N2O15,-6.4069262729,-1.2721547936,0.58897166,0.58897166,GGA,C2/c,A7B2C15_mC96_15_c3f_f_e7f:Ge-N-O,48.0,A7B2C15_mC96_15_a3f_f_e7f:Ge-N-O +mp-1229182,Ag9Ge2NO11,-5.10354561,-0.8648877627,0.0,-0.0037303087,GGA,P1,A9B2CD11_aP23_1_9a_2a_a_11a:Ag-Ge-N-O,23.0,A9B2CD11_aP23_1_9a_2a_a_11a:Ag-Ge-N-O +mp-779457,Ge2N2O,-6.8865497195,-0.7134028652000001,0.1054936305,0.0834202062,GGA,P1,A2B2C_aP20_1_8a_8a_4a:Ge-N-O,20.0,A2B2C_aP20_1_8a_8a_4a:Ge-N-O +mp-1178193,Ge2N2O,-6.8901946,-0.7170477457000001,0.10184875,0.0797753257,GGA,Pc,A2B2C_mP20_7_4a_4a_2a:Ge-N-O,20.0,A2B2C_mP20_7_8a_8a_4a:Ge-N-O +mp-778194,Ge2N2O,-6.957224915,-0.7840780608,0.034818435,0.0127450107,GGA,Cc,A2B2C_mC20_9_2a_2a_a:Ge-N-O,10.0,A2B2C_mC20_9_2a_2a_a:Ge-N-O +mp-777483,Ge2N2O,-6.922845457,-0.7496986027,0.069197893,0.0471244687,GGA,Cc,A2B2C_mC20_9_2a_2a_a:Ge-N-O,10.0,"Invalid WP multiplicities - A2B2C_mC20_9_4a_4a_a:Ge-N-O, expected Ge4N4O to be Ge2N2O" +mp-1178181,Ge2N2O,-6.867227924,-0.6940810697,0.124815426,0.1027420017,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ge-N-O,10.0,"Invalid WP multiplicities - A2B2C_mC20_12_3i_3i_i:Ge-N-O, expected Ge3N3O to be Ge2N2O" +mp-4187,Ge2N2O,-6.99204335,-0.8188964957,0.0,-0.0220734243,GGA,Cmc2_1,A2B2C_oC20_36_b_b_a:Ge-N-O,10.0,A2B2C_oC20_36_b_b_a:Ge-N-O +mp-859876,Ge2N2O,-6.945635365,-0.7724885107,0.046407985,0.0243345607,GGA,Cmc2_1,A2B2C_oC20_36_2a_2a_a:Ge-N-O,10.0,"Invalid WP multiplicities - A2B2C_oC20_36_3a_3a_a:Ge-N-O, expected Ge3N3O to be Ge2N2O" +mp-1178197,Ge2N2O,-6.96373187,-0.7905850157000001,0.02831148,0.0062380557,GGA,Imm2,A2B2C_oI10_44_c_c_a:Ge-N-O,5.0,A2B2C_oI10_44_c_c_a:Ge-N-O +mp-773667,Ge2N2O,-6.9042275915,-0.7310807373,0.0878157585,0.0657423342,GGA,I4_1/amd,A2B2C_tI80_141_ceh_2h_h:Ge-N-O,40.0,"Invalid WP multiplicities - A2B2C_tI80_141_2c3e5h_11h_h:Ge-N-O, expected Ge15(N11O)2 to be Ge2N2O" +mp-777843,Ge2N2O,-6.9019151973,-0.728768343,0.0901281528,0.0680547284,GGA,P-3m1,A2B2C_hP40_164_ac2dfi_cd2i_di:Ge-N-O,40.0,"Invalid WP multiplicities - A2B2C_hP40_164_a2c4d3f2i_c2d8i_2d3i:Ge-N-O, expected Ge17N27O11 to be Ge2N2O" +mp-996960,AgNO2,-5.7671138012,-0.5015067135,0.0683764703,0.0683764703,GGA,C2,ABC2_mC16_5_c_c_2c:Ag-N-O,8.0,"Invalid WP multiplicities - ABC2_mC16_5_c_c_3c:Ag-N-O, expected AgNO3 to be AgNO2" +mp-5770,AgNO2,-5.760063425,-0.4944563373,0.0754268465,0.0754268465,GGA,Imm2,ABC2_oI8_44_a_a_c:Ag-N-O,4.0,ABC2_oI8_44_a_a_c:Ag-N-O +mp-562667,Ag3N5O6,-6.0287561857,-0.3244508355,0.1640204649,0.1640204649,GGA,Cmc2_1,A3B5C6_oC56_36_ab_3ab_3b:Ag-N-O,28.0,"Invalid WP multiplicities - A3B5C6_oC56_36_2a2b_5a3b_12b:Ag-N-O, expected Ag6N11O24 to be Ag3N5O6" +mp-644729,AgN3O4,-6.2683406887,-0.3147412358,0.2415077222,0.2415077222,GGA,Pbca,AB3C4_oP64_61_c_3c_4c:Ag-N-O,64.0,"Invalid WP multiplicities - AB3C4_oP64_61_c_13c_26c:Ag-N-O, expected Ag(NO2)13 to be AgN3O4" +mp-1192809,Ag(NO)3,-5.0294312761,1.0680125685,1.5564838689,1.5564838689,GGA,Pnnm,AB3C3_oP28_58_ab_3g_gh:Ag-N-O,28.0,AB3C3_oP28_58_ab_3g_gh:Ag-N-O +mp-1245460,AgGe2N3,-6.2052381717,-0.0238887569,0.1688298569,0.1688298569,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Ag-Ge-N,12.0,AB2C3_oC24_36_a_b_ab:Ag-Ge-N +mp-1246590,AgGe2N3,-6.1045363911,0.0768130236,0.2695316375,0.2695316375,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-Ge-N,18.0,AB2C3_hP18_152_a_c_bc:Ag-Ge-N +mp-732005,Ag(NO2)3,-5.8501248393,-0.0979075347,0.553230144,0.553230144,GGA,P2_1/c,AB3C6_mP40_14_e_3e_6e:Ag-N-O,40.0,AB3C6_mP40_14_e_3e_6e:Ag-N-O +mp-696470,Ag7NO6,-4.2907102143,-0.1589588417,0.2929062121,0.2929062121,GGA,F-43m,A7BC6_cF56_216_cf_d_abe:Ag-N-O,14.0,A7BC6_cF56_216_cf_d_abe:Ag-N-O +mp-1147743,Th2Cu(NO)2,-8.6412817543,-2.1422402625,0.3351058405,0.3351058405,GGA,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Cu-N-O-Th,7.0,AB2C2D2_tI14_139_a_d_c_e:Cu-N-O-Th +mp-1202518,ThN3O14,-6.5034032124,-0.8546818244000001,0.2500805803,0.2500805803,GGA,P2_1/c,A3B14C_mP72_14_3e_14e_e:N-O-Th,72.0,A3B14C_mP72_14_3e_14e_e:N-O-Th +mp-1209404,ThN3O14,-6.4503344726,-0.8016130847,0.30314932,0.30314932,GGA,P2_1/c,A3B14C_mP72_14_3e_14e_e:N-O-Th,72.0,A3B14C_mP72_14_3e_14e_e:N-O-Th +mp-1213399,CuN4O3,-5.2322146581,1.3034419048,1.8065717529,1.8065717529,GGA,P-62c,AB4C3_hP16_190_b_ch_h:Cu-N-O,16.0,AB4C3_hP16_190_b_ch_h:Cu-N-O +mp-1106173,Cu2NO6,-5.6773781178,-0.5423736142,0.2068761957,0.2068761957,GGA,P2_1,A2BC6_mP18_4_2a_a_6a:Cu-N-O,18.0,A2BC6_mP18_4_2a_a_6a:Cu-N-O +mp-1213046,Cu2NO6,-5.8408929744,-0.7058884708000001,0.043361339,0.043361339,GGA,P2_1,A2BC6_mP18_4_2a_a_6a:Cu-N-O,18.0,A2BC6_mP18_4_2a_a_6a:Cu-N-O +mp-1188223,Cu2NO6,-5.8373977172,-0.7023932136000001,0.0468565962,0.0468565962,GGA,P2_1/m,A2BC6_mP18_11_ae_e_2e2f:Cu-N-O,18.0,A2BC6_mP18_11_ae_e_2e2f:Cu-N-O +mp-1204217,Th(N4O9)2,-6.6806352209,-0.6381828338000001,0.4580022065,0.4580022065,GGA,P2_1/c,A8B18C_mP54_14_4e_9e_a:N-O-Th,54.0,A8B18C_mP54_14_4e_9e_a:N-O-Th +mp-1206128,Th2N2O,-9.851209356,-2.5617303437,0.019513451,0.019513451,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-O-Th,5.0,A2BC2_hP5_164_d_a_d:N-O-Th +mp-1147759,ThCuN2,-7.9338396475,-0.8873259550000001,0.1715509483,0.1715509483,GGA,P4/mmm,AB2C_tP4_123_b_e_c:Cu-N-Th,4.0,AB2C_tP4_123_b_e_c:Cu-N-Th +mp-676599,Cu8NO11,-5.638825996,-0.8616397906000001,0.0366345579,0.0366345579,GGA,Fmm2,A8BC11_oF80_42_2abcd_a_ac2e:Cu-N-O,20.0,"Invalid WP multiplicities - A8BC11_oF80_42_2a2bcd_a_ac8e:Cu-N-O, expected Cu10NO35 to be Cu8NO11" +mp-1203008,Cu(N2O3)2,-5.8530834177,0.2492182766,0.9067004305,0.9067004305,GGA,Pbca,AB4C6_oP44_61_a_2c_3c:Cu-N-O,44.0,AB4C6_oP44_61_a_2c_3c:Cu-N-O +mp-1102920,Cu(N3O2)2,-5.2955471764,1.4230829205,1.886185383,1.886185383,GGA,C2/m,AB6C4_mC22_12_a_ij_2i:Cu-N-O,11.0,AB6C4_mC22_12_a_ij_2i:Cu-N-O +mp-1179472,Th(NO4)4,-6.4156980185,-0.7058476694,0.3487075375,0.3487075375,GGA,P2_1/c,A4B16C_mP84_14_4e_16e_e:N-O-Th,84.0,A4B16C_mP84_14_4e_16e_e:N-O-Th +mp-640926,Cu(NO3)2,-6.4072991764000005,-0.8014848667000001,0.0021044326,-0.1007319028,GGA,Pmn2_1,AB2C6_oP36_31_b_2ab_2a5b:Cu-N-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_31_b_3a3b_4a15b:Cu-N-O, expected Cu2N9O34 to be Cu(NO3)2" +mp-662543,Cu(NO3)2,-6.409403609,-0.8035892993,0.0,-0.1028363354,GGA,Pbcn,AB2C6_oP108_60_ad_3d_9d:Cu-N-O,108.0,"Invalid WP multiplicities - AB2C6_oP108_60_2a3d_19d_68d:Cu-N-O, expected Cu4N19O68 to be Cu(NO3)2" +mp-1213366,Cu(NO)3,-5.2641029582,1.0142909816,1.5892965223000002,1.5892965223000002,GGA,Pnnm,AB3C3_oP28_58_ab_3g_gh:Cu-N-O,28.0,AB3C3_oP28_58_ab_3g_gh:Cu-N-O +mp-1208255,ThN4O17,-6.336445982,-0.6612847984,0.345336081,0.345336081,GGA,Fdd2,A4B17C_oF176_43_2b_a8b_a:N-O-Th,44.0,A4B17C_oF176_43_2b_a8b_a:N-O-Th +mp-1192754,CsBaVS4,-5.7451428711,-1.681702464,0.0,-0.0836024113,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-Cs-S-V,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-Cs-S-V +mp-1226432,Cs(V3S4)2,-7.1716707247,-1.2723082095,0.0221962634,0.0221962634,GGA,P-3,AB8C6_hP15_147_a_dg_g:Cs-S-V,15.0,AB8C6_hP15_147_a_dg_g:Cs-S-V +mp-1200171,Cs3VS4,-4.9893082144,-1.4498191327,0.0,-0.2385992487,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Cs-S-V,32.0,A3B4C_oP32_62_cd_2cd_c:Cs-S-V +mp-542818,BaVS3,-6.3512208105,-1.6687746884,0.0013285315,-0.0157881485,GGA,Cm,AB3C_mC40_8_4a_4a4b_4a:Ba-S-V,20.0,AB3C_mC40_8_4a_4a4b_4a:Ba-S-V +mp-555857,BaVS3,-6.348760177,-1.6663140549,0.003789165,-0.013327515,GGA,C222_1,AB3C_oC20_20_a_ac_b:Ba-S-V,10.0,"Invalid WP multiplicities - AB3C_oC20_20_a_2a2c_b:Ba-S-V, expected BaVS6 to be BaVS3" +mp-3451,BaVS3,-6.352549342,-1.6701032199,0.0,-0.01711668,GGA,Cmc2_1,AB3C_oC20_36_a_ab_a:Ba-S-V,10.0,AB3C_oC20_36_a_ab_a:Ba-S-V +mp-4227,BaVS3,-6.338342442,-1.6558963199,0.0142069,-0.00290978,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-S-V,10.0,AB3C_hP10_194_c_h_a:Ba-S-V +mp-1228781,Ba(V3S4)4,-7.4726194628,-1.3654109921,0.0,-0.0127808047,GGA,Cm,AB16C12_mC58_8_a_8a4b_6a3b:Ba-S-V,29.0,AB16C12_mC58_8_a_8a4b_6a3b:Ba-S-V +mp-1228772,Ba(V5S8)2,-7.2396967315,-1.3529843793,0.0,-0.0004293255,GGA,P-1,AB16C10_aP27_2_b_8i_ad4i:Ba-S-V,27.0,"Invalid WP multiplicities - AB16C10_aP27_2_b_12i_ad6i:Ba-S-V, expected Ba(V7S12)2 to be Ba(V5S8)2" +mp-985699,CsV5S8,-6.9356761029000005,-1.2637809845,0.0511276789,0.0511276789,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Cs-S-V,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_7i_c3i:Cs-S-V, expected Cs(VS2)7 to be CsV5S8" +mp-1026538,Mg14CrW,-2.6090597994,0.2043838506,0.2214140712,0.2214140712,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-W, expected Mg18CrW to be Mg14CrW" +mp-1026497,Mg14CrW,-2.5931599431,0.2202837069,0.2373139275,0.2373139275,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-W, expected Mg26CrW to be Mg14CrW" +mp-1247262,MgCrWS4,-6.8393630807,-1.0168977639,0.1990198162,0.1990198162,GGA,Cm,ABC4D_mC28_8_b_2a_4a2b_2a:Cr-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_mC28_8_b_2a_4a3b_2a:Cr-Mg-S-W, expected MgCrWS5 to be MgCrWS4" +mp-1247544,Mg2Cr3WS8,-6.6537821536,-1.0673941768,0.1433019067,0.1433019067,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-W, expected Mg2Cr3WS16 to be Mg2Cr3WS8" +mp-1016614,Mg6CrW,-3.6843432706,0.3422639794,0.3568613113,0.3568613113,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-W, expected Mg12CrW to be Mg6CrW" +mp-1016653,Mg6CrW,-3.6270087538,0.3995984963,0.4141958282,0.4141958282,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-W, expected Mg12CrW to be Mg6CrW" +mp-1247191,Mg2CrW3S8,-7.0620501357,-1.0035074789,0.2176315979,0.2176315979,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Cr-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_160_a_2a_2a6b_b:Cr-Mg-S-W, expected Mg2CrW3S20 to be Mg2CrW3S8" +mp-559112,K2Zn6O7,-4.6922894387,-1.7318840698,0.0128107633,0.0128107633,GGA,P4_2nm,A2B7C6_tP30_102_c_acd_cd:K-O-Zn,30.0,"Invalid WP multiplicities - A2B7C6_tP30_102_c_2a2c3d_4c5d:K-O-Zn, expected KZn14O9 to be K2Zn6O7" +mp-540728,K2Zn6O7,-4.693101898,-1.7326965291,0.011998304,0.011998304,GGA,P4_2/mnm,A2B7C6_tP30_136_f_agi_fi:K-O-Zn,30.0,A2B7C6_tP30_136_f_agi_fi:K-O-Zn +mp-1193879,K3Ge7O20,-6.009734505,-1.5221956366,0.3305384591,0.3305384591,GGA,P-43m,A7B3C20_cP30_215_ce_d_2ei:Ge-K-O,30.0,A7B3C20_cP30_215_ce_d_2ei:Ge-K-O +mp-560875,K2Ge4O9,-6.5214079051,-2.1725340574,0.0058387734,0.0058387734,GGA,P-3c1,A4B2C9_hP90_165_bdfg_g_f4g:Ge-K-O,90.0,A4B2C9_hP90_165_bdfg_g_f4g:Ge-K-O +mp-560398,K2Zn(GeO3)2,-5.9738860577,-2.1187288321,0.0,-0.0250996595,GGA,C222_1,A2B2C6D_oC44_20_c_c_ab2c_a:Ge-K-O-Zn,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_20_c_c_2a2b6c_a:Ge-K-O-Zn, expected K2Zn(GeO8)2 to be K2Zn(GeO3)2" +mp-1178143,K2Zn2O3,-4.459019295,-1.6618262596000002,0.0062392375,0.0062392375,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:K-O-Zn,14.0,A2B3C2_mP14_14_e_ae_e:K-O-Zn +mp-14411,K4GeO4,-5.1672046317,-1.9614959108,0.0013714717,-0.2631774032,GGA,P-1,AB4C4_aP18_2_i_4i_4i:Ge-K-O,18.0,AB4C4_aP18_2_i_4i_4i:Ge-K-O +mp-17015,K4GeO4,-5.1685761033,-1.9628673824,0.0,-0.2645488749,GGA,P2_1/c,AB4C4_mP36_14_e_4e_4e:Ge-K-O,36.0,"Invalid WP multiplicities - AB4C4_mP36_14_e_6e_8e:Ge-K-O, expected K6GeO8 to be K4GeO4" +mp-6386,K2ZnGeO4,-5.5368384939,-2.0505479684,0.0,-0.044799442,GGA,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Ge-K-O-Zn,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_2a_5a_10a_4a:Ge-K-O-Zn, expected K5Zn4(GeO5)2 to be K2ZnGeO4" +mp-4698,K2Ge8O17,-6.7123401416,-2.1457205555,0.0,-0.003910762,GGA,Pnma,A8B2C17_oP108_62_4d_2c_5c6d:Ge-K-O,108.0,"Invalid WP multiplicities - A8B2C17_oP108_62_4d_2c_5c9d:Ge-K-O, expected K2Ge8O23 to be K2Ge8O17" +mp-30962,K4Ge9O20,-6.575879007,-2.1824662582,0.0,-0.0154167808,GGA,I4_1/a,A9B4C20_tI132_88_a2f_f_5f:Ge-K-O,66.0,"Invalid WP multiplicities - A9B4C20_tI132_88_a2f_f_11f:Ge-K-O, expected K4Ge9O44 to be K4Ge9O20" +mp-8187,K2ZnO2,-4.261124989,-1.5863412037,0.0,-0.0105281572,GGA,Ibam,A2B2C_oI20_72_j_j_a:K-O-Zn,10.0,A2B2C_oI20_72_j_j_a:K-O-Zn +mp-771185,K2Ge2O5,-6.1706096035,-2.1483543635,0.0,-0.0345127539,GGA,Cc,A2B2C5_mC108_9_6a_6a_15a:Ge-K-O,54.0,"Invalid WP multiplicities - A2B2C5_mC108_9_11a_11a_29a:Ge-K-O, expected K11Ge11O29 to be K2Ge2O5" +mp-1211960,K2Ge2O3,-5.5289562979,-1.7708249067,0.0,-0.0088727299,GGA,I2_13,A2B2C3_cI28_199_a_a_b:Ge-K-O,14.0,A2B2C3_cI28_199_a_a_b:Ge-K-O +mp-28382,K4ZnO3,-4.0660578928,-1.4983822013,0.0,-0.0388129547,GGA,P-1,A4B3C_aP32_2_8i_6i_2i:K-O-Zn,32.0,"Invalid WP multiplicities - A4B3C_aP32_2_11i_7i_2i:K-O-Zn, expected K11Zn2O7 to be K4ZnO3" +mp-28371,K2Zn3O4,-4.5786660567,-1.7134678823,0.0,-0.0221123438,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:K-O-Zn,18.0,"Invalid WP multiplicities - A2B4C3_mC36_15_f_4f_e2f:K-O-Zn, expected K2Zn5O8 to be K2Zn3O4" +mp-1184946,KZnO3,-4.385129024,-0.9430872858,0.366345996,0.366345996,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Zn,5.0,AB3C_cP5_221_a_c_b:K-O-Zn +mp-1212777,K(GeO2)2,-6.2708460597,-1.9646732737,0.131076131,0.131076131,GGA,P6_3,A2BC4_hP168_173_8c_a2b3c_16c:Ge-K-O,168.0,A2BC4_hP168_173_8c_a2b3c_16c:Ge-K-O +mp-1193826,Cd(PO5)2,-5.8756544962,-1.1667020434,0.5234545147,0.5234545147,GGA,P2_1/c,AB10C2_mP26_14_a_5e_e:Cd-O-P,26.0,AB10C2_mP26_14_a_5e_e:Cd-O-P +mp-1182043,Cd(PO5)2,-6.1683608862,-1.4594084334,0.2307481247,0.2307481247,GGA,P-3,AB10C2_hP39_147_e_5g_g:Cd-O-P,39.0,AB10C2_hP39_147_e_5g_g:Cd-O-P +mp-13738,CsCd(PO3)3,-7.0174477377,-2.5475621624,0.0,-0.0218114731,GGA,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Cd-Cs-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_62_c_c_3c4d_cd:Cd-Cs-O-P, expected CsCdP3O11 to be CsCd(PO3)3" +mp-1195999,Cs2CdP2O7,-6.5498941623,-2.5359674543,0.0,-0.0574266136,GGA,Pnma,AB2C7D2_oP48_62_c_2c_3c2d_2c:Cd-Cs-O-P,48.0,AB2C7D2_oP48_62_c_2c_3c2d_2c:Cd-Cs-O-P +mp-1226956,Cd5P3O13,-6.1606955398,-2.1053950842,0.051708582,0.051708582,GGA,P6_3,A5B13C3_hP42_173_2bc_a4c_c:Cd-O-P,42.0,A5B13C3_hP42_176_fh_a2hi_h:Cd-O-P +mp-866339,Cd(PO3)2,-7.0429535575,-2.4396616641,0.0016755865,-0.0164997967,GGA,C2/c,AB6C2_mC72_15_ce_6f_2f:Cd-O-P,36.0,AB6C2_mC72_15_ce_6f_2f:Cd-O-P +mp-557614,Cd(PO3)2,-7.0310506583,-2.4277587649,0.0135784857,-0.0045968975,GGA,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:Cd-O-P,36.0,"Invalid WP multiplicities - AB6C2_oP36_19_a_22a_4a:Cd-O-P, expected Cd(P2O11)2 to be Cd(PO3)2" +mp-4659,Cd(PO3)2,-7.044629144,-2.4413372506,0.0,-0.0181753832,GGA,Pbca,AB6C2_oP72_61_c_6c_2c:Cd-O-P,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_9c_2c:Cd-O-P, expected CdP2O9 to be Cd(PO3)2" +mp-772228,CdP4O11,-7.2714594617,-2.4596047361,0.0,-0.0071365109,GGA,P-1,AB11C4_aP64_2_2i_22i_8i:Cd-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_3i_43i_15i:Cd-O-P, expected Cd3P15O43 to be CdP4O11" +mp-680761,Cd3(PO4)2,-6.3429233465,-2.2530168862,0.0,-0.0557922319,GGA,P2_1/c,A3B8C2_mP156_14_9e_24e_6e:Cd-O-P,156.0,"Invalid WP multiplicities - A3B8C2_mP156_14_31e_93e_18e:Cd-O-P, expected Cd31(P6O31)3 to be Cd3(PO4)2" +mp-27600,Cd3(PO4)2,-6.3229472573,-2.2330407971,0.0199760892,-0.0358161427,GGA,Cmce,A3B8C2_oC104_64_dg_2f3g_ef:Cd-O-P,52.0,"Invalid WP multiplicities - A3B8C2_oC104_64_dg_2f4g_ef:Cd-O-P, expected Cd3(PO5)2 to be Cd3(PO4)2" +mp-1182653,Cd3(P3O14)2,-6.0621594393,-1.3660575951,0.4154587769,0.4154587769,GGA,P2_1/c,A3B28C6_mP74_14_ae_14e_3e:Cd-O-P,74.0,A3B28C6_mP74_14_ae_14e_3e:Cd-O-P +mp-29276,Cd2P6O17,-7.1927961916,-2.4560240856,0.0,-0.0029956442,GGA,P2_1/c,A2B17C6_mP50_14_e_a8e_3e:Cd-O-P,50.0,"Invalid WP multiplicities - A2B17C6_mP50_14_e_a9e_3e:Cd-O-P, expected Cd2P6O19 to be Cd2P6O17" +mp-1197040,Cd5(PO5)4,-5.9128130559,-1.5955222610000002,0.305251691,0.305251691,GGA,C2/c,A5B20C4_mC116_15_e2f_10f_2f:Cd-O-P,58.0,A5B20C4_mC116_15_e2f_10f_2f:Cd-O-P +mp-27686,Cd2P2O7,-6.6484027818,-2.348475008,0.0,-0.0184179727,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Cd-O-P,22.0,A2B7C2_aP22_2_2i_7i_2i:Cd-O-P +mp-726886,Cd(PO4)2,-6.2521419748,-1.5864142964,0.4110434541,0.4110434541,GGA,P-3,AB8C2_hP33_147_e_4g_g:Cd-O-P,33.0,AB8C2_hP33_147_e_4g_g:Cd-O-P +mp-752870,ZrU4O10,-10.9187365343,-4.0400546822,0.0,-0.2761275433,GGA,P1,A10B4C_aP30_1_20a_8a_2a:O-U-Zr,30.0,"Invalid WP multiplicities - A10B4C_mC60_12_17i_ac4i_i:O-U-Zr, expected ZrU5O17 to be ZrU4O10" +mp-1101294,ZrU4O10,-10.5966193843,-3.7179375322,0.32211715,0.0459896067,GGA,C2/m,A10B4C_mC60_12_10i_ad3i_i:O-U-Zr,30.0,"Invalid WP multiplicities - A10B4C_mC60_12_17i_ac4i_i:O-U-Zr, expected ZrU5O17 to be ZrU4O10" +mp-1215267,ZrU4O10,-10.6064919387,-3.7278100865,0.3122445957,0.0361170523,GGA,R-3m,A10B4C_hR45_166_5c_2c_a:O-U-Zr,15.0,"Invalid WP multiplicities - A10B4C_hR45_166_10c_3c_a:O-U-Zr, expected ZrU6O20 to be ZrU4O10" +mp-766007,Zr3U7O20,-10.4946429393,-3.7074180665,0.3044380243,0.3044380243,GGA,Cm,A20B7C3_mC60_8_20a_7a_3a:O-U-Zr,30.0,A20B7C3_mC60_8_20a_7a_3a:O-U-Zr +mp-766289,ZrU9O20,-10.7037552937,-3.7336164622,0.1620570968,0.1620570968,GGA,P-1,A20B9C_aP30_2_10i_a4i_c:O-U-Zr,30.0,"Invalid WP multiplicities - A20B9C_aP30_2_20i_a7i_c:O-U-Zr, expected ZrU15O40 to be ZrU9O20" +mp-1215173,ZrUO4,-10.299227295,-3.6949163808,0.2605425271,0.2605425271,GGA,R-3m,A4BC_hR18_166_2c_a_b:O-U-Zr,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:O-U-Zr, expected ZrUO6 to be ZrUO4" +mp-1205832,Ba2ZrUO6,-8.877011573,-3.5412922943,0.0577155251,0.0577155251,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Zr +mp-1198536,Tb5P12Ru19,-8.2048074833,-0.8618877933,0.0,-0.0713182964,GGA,P-62m,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Tb,36.0,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Tb +mp-1080794,TbPRu2C,-8.243964083,-0.6789362472,0.0,-0.0354061265,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Tb,10.0,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Tb +mp-13245,Tb(P3Ru)4,-6.9164967941,-0.6405199506,0.0260903572,0.0260903572,GGA,Im-3,A12B4C_cI34_204_g_c_a:P-Ru-Tb,17.0,A12B4C_cI34_204_g_c_a:P-Ru-Tb +mp-570554,Tb(PRu)2,-7.842071968,-1.0401167293,0.0,-0.0484724886,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Ru-Tb,5.0,A2B2C_tI10_139_e_d_a:P-Ru-Tb +mp-680717,Tm(BO2)3,-8.6233210538,-3.2039067535,0.0,-0.0190162151,GGA,Pnma,A3B6C_oP160_62_6d_6c9d_4c:B-O-Tm,160.0,"Invalid WP multiplicities - A3B6C_oP160_62_40d_21c69d_11c:B-O-Tm, expected Tm11B80O159 to be Tm(BO2)3" +mp-558534,Tm3B5O12,-8.6871624474,-3.3779259644,0.0,-0.0222770156,GGA,Pmna,A5B12C3_oP80_53_e2hi_g3h4i_fi:B-O-Tm,80.0,"Invalid WP multiplicities - A5B12C3_oP80_53_3e6h4i_4g10h28i_3f4i:B-O-Tm, expected Tm11B17O70 to be Tm3B5O12" +mp-760484,TmBO3,-8.69007493,-3.4910162644,0.0300250476,0.0300250476,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Tm,10.0,"Invalid WP multiplicities - AB3C_oC20_40_b_2b2c_a:B-O-Tm, expected TmBO6 to be TmBO3" +mp-17620,TmBO3,-8.401931864,-3.2028731984,0.3181681136,0.3181681136,GGA,P6_3/mcm,AB3C_hP30_193_g_gk_bd:B-O-Tm,30.0,"Invalid WP multiplicities - AB3C_hP30_193_g_g2k_b2d:B-O-Tm, expected Tm5(BO5)3 to be TmBO3" +mp-772919,Tm4(B2O5)3,-8.6731983074,-3.3859973879,0.020551646,0.020551646,GGA,C2/c,A6B15C4_mC100_15_3f_e7f_2f:B-O-Tm,50.0,"Invalid WP multiplicities - A6B15C4_mC100_15_11f_2e25f_7f:B-O-Tm, expected Tm7B11O26 to be Tm4(B2O5)3" +mp-756194,Tm4(B2O5)3,-8.6061381252,-3.3189372057,0.0876118282,0.0876118282,GGA,R3,A6B15C4_hR75_146_2b_5b_ab:B-O-Tm,25.0,"Invalid WP multiplicities - A6B15C4_hR75_146_4b_14b_a2b:B-O-Tm, expected Tm7(B2O7)6 to be Tm4(B2O5)3" +mp-1214609,Ba3Tm(BO2)9,-8.2809217232,-3.1393835625,0.0,-0.0005994811,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Tm,62.0,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Tm +mp-14385,Ba3Tm(BO3)3,-7.9913074674,-3.3168615951,0.0,-0.0259578758,GGA,P6_3cm,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Tm,96.0,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Tm +mp-1100989,Tm3B3O7,-8.1388590881,-2.9009742757,0.4196403479,0.4196403479,GGA,Amm2,A3B7C3_oC52_38_ab2c_7c_3c:B-O-Tm,26.0,"Invalid WP multiplicities - A3B7C3_oC52_38_ab2c_12c_4c:B-O-Tm, expected Tm4(BO4)3 to be Tm3B3O7" +mp-756368,Te(WO4)3,-8.2943634588,-1.9582408889,0.0212790724,0.0212790724,GGA+U,P1,A12BC3_aP16_1_12a_a_3a:O-Te-W,16.0,A12BC3_aP16_1_12a_a_3a:O-Te-W +mp-22693,Te2W,-6.8021140033,-0.3871999978,0.0,-0.3871999978,GGA,Pmn2_1,A2B_oP12_31_4a_2a:Te-W,12.0,A2B_oP12_31_4a_2a:Te-W +mp-1028586,Te2W,-6.77694652,-0.3620325144,0.0251674833,-0.3620325144,GGA,P-3m1,A2B_hP12_164_4d_2d:Te-W,12.0,A2B_hP12_164_6d_3d:Te-W +mp-1023942,Te2W,-6.7757893417,-0.3608753361,0.0263246617,-0.3608753361,GGA,P-3m1,A2B_hP6_164_2d_d:Te-W,6.0,A2B_hP6_164_2d_d:Te-W +mp-1023926,Te2W,-6.7735986567,-0.3586846511,0.0285153467,-0.3586846511,GGA,P-6m2,A2B_hP3_187_h_a:Te-W,3.0,A2B_hP3_187_h_a:Te-W +mp-1025573,Te2W,-6.7764661356,-0.36155213,0.0256478678,-0.36155213,GGA,P-6m2,A2B_hP9_187_2gh_ah:Te-W,9.0,"Invalid WP multiplicities - A2B_hP9_187_3g2h_ah:Te-W, expected Te10W3 to be Te2W" +mp-1019322,Te2W,-6.7779084350000005,-0.3629944294,0.0242055683,-0.3629944294,GGA,P6_3/mmc,A2B_hP6_194_f_c:Te-W,6.0,A2B_hP6_194_f_c:Te-W +mp-773515,Te3WO12,-6.6269713812,-1.5177018534,0.0372283766,0.0372283766,GGA+U,P-1,A12B3C_aP16_2_6i_abe_h:O-Te-W,16.0,"Invalid WP multiplicities - A12B3C_aP16_2_11i_abe_h:O-Te-W, expected Te3WO22 to be Te3WO12" +mp-756661,Te3WO12,-6.6126978319,-1.5034283041,0.051501926,0.051501926,GGA+U,P2,A12B3C_mP16_3_6e_abc_d:O-Te-W,16.0,"Invalid WP multiplicities - A12B3C_mP16_3_11e_abc_d:O-Te-W, expected Te3WO22 to be Te3WO12" +mp-1046585,Te3W5O18,-8.0078566594,-1.7285887505000002,0.2162679934,0.2162679934,GGA+U,C2,A18B3C5_mC104_5_18c_3c_ab4c:O-Te-W,52.0,"Invalid WP multiplicities - A18B3C5_mC104_5_36c_4c_ab8c:O-Te-W, expected Te4(WO4)9 to be Te3W5O18" +mp-1041662,Te(WO4)2,-8.0517174291,-1.8123468797,0.1895777703,0.1895777703,GGA+U,P1,A8BC2_aP11_1_8a_a_2a:O-Te-W,11.0,A8BC2_aP11_1_8a_a_2a:O-Te-W +mp-1041860,Te(WO4)2,-8.145332415,-1.9059618656,0.0959627844,0.0959627844,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Te-W,22.0,A8BC2_mP22_13_4g_e_g:O-Te-W +mp-1198792,Te7WBr5O,-4.006511942,-0.6012903816,0.059497619,0.059497619,GGA+U,Pcca,A5BC7D_oP56_54_c2f_d_b3f_d:Br-O-Te-W,56.0,A5BC7D_oP56_54_c2f_d_b3f_d:Br-O-Te-W +mp-1386832,TeWO6,-7.4585277906,-1.7358317418,0.0313933539,0.0313933539,GGA+U,P2_1/c,A6BC_mP16_14_3e_a_d:O-Te-W,16.0,A6BC_mP16_14_3e_a_b:O-Te-W +mp-757056,TeWO6,-7.4419604075,-1.7192643586,0.047960737,0.047960737,GGA+U,R-3,A6BC_hR24_148_f_a_b:O-Te-W,8.0,A6BC_hR24_148_f_a_b:O-Te-W +mp-1388058,TeWO6,-7.4283825037,-1.7056864549,0.0615386408,0.0615386408,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:O-Te-W,8.0,A6BC_cF32_225_e_a_b:O-Te-W +mp-1217490,Te15W2(Br6O)2,-3.8724149858,-0.5951386554,0.0728567803,0.0728567803,GGA+U,P1,A12B2C15D2_aP31_1_12a_2a_15a_2a:Br-O-Te-W,31.0,A12B2C15D2_aP31_1_12a_2a_15a_2a:Br-O-Te-W +mp-29715,TeWBr9,-3.6680540486,-0.9336275856,0.0114128219,0.0114128219,GGA,P2_1/m,A9BC_mP22_11_3e3f_e_e:Br-Te-W,22.0,A9BC_mP22_11_3e3f_e_e:Br-Te-W +mp-754111,LuWO4,-9.2133518775,-3.0023792783,0.0182332375,0.0182332375,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Lu-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_3g_f:Lu-O-W, expected LuWO6 to be LuWO4" +mp-755936,LuWO4,-9.1590406875,-2.9480680883,0.0725444275,0.0725444275,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Lu-O-W,12.0,AB4C_tI24_88_a_f_b:Lu-O-W +mp-1210759,LuWO5,-8.6599131514,-2.6295525362000003,0.1491664162,0.1491664162,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Lu-O-W,28.0,AB5C_mP28_14_e_5e_e:Lu-O-W +mp-1209535,RbLu(WO4)2,-8.577693689,-2.6617557937000003,0.0162602544,0.0029594057,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Lu-O-Rb-W,48.0,AB8CD2_mP48_14_e_8e_e_2e:Lu-O-Rb-W +mp-1209359,RbLu(WO4)2,-8.5939539433,-2.6780160481,0.0,-0.0133008487,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Lu-O-Rb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Lu-O-Rb-W +mp-1209269,RbLu(WO4)2,-8.5649451242,-2.649007229,0.0290088192,0.0157079705,GGA+U,P-3m1,AB8CD2_hP12_164_a_di_b_d:Lu-O-Rb-W,12.0,AB8CD2_hP12_164_a_di_b_d:Lu-O-Rb-W +mp-768343,Lu2(WO4)3,-9.0525086015,-2.7421229388,0.0619549813,0.0619549813,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Lu-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_23f_e2f:Lu-O-W, expected Lu2W5O46 to be Lu2(WO4)3" +mp-768455,Lu2(WO4)3,-9.0986018085,-2.7882161459,0.0158617743,0.0158617743,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Lu-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c3d:Lu-O-W, expected LuW4O21 to be Lu2(WO4)3" +mp-756479,Lu6WO12,-9.01095805,-3.7770581613,0.0,-0.0200464122,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:Lu-O-W,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:Lu-O-W, expected Lu6WO42 to be Lu6WO12" +mp-555747,Lu2WO6,-9.0905521739,-3.3483117808,0.0,-0.0382067935,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:Lu-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_2e2f2g_22g_g:Lu-O-W, expected Lu4WO22 to be Lu2WO6" +mp-772094,Lu2WO6,-9.0402226578,-3.2979822647,0.0503295161,0.0121227226,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Lu-O-W,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_3e2f_19f_f:Lu-O-W, expected Lu7(WO19)2 to be Lu2WO6" +mp-768502,Lu2WO6,-9.0746050136,-3.3323646206,0.0159471603,-0.0222596332,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Lu-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Lu-O-W, expected Lu5WO21 to be Lu2WO6" +mp-13772,Li3Pr2(BO3)3,-7.7800386335,-3.0831589968,0.0,-0.0011795532,GGA,P2_1/c,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Pr,68.0,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Pr +mp-1211486,LiPr6B3O14,-8.4656086162,-3.4703513385,0.0,-0.0076371608,GGA,P2_1/c,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Pr,96.0,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Pr +mp-1216503,V6InS8,-7.2199861793,-1.1968715737,0.0170584927,0.0170584927,GGA,P3,AB8C6_hP15_143_a_bc2d_2d:In-S-V,15.0,AB8C6_hP15_143_a_bc2d_2d:In-S-V +mp-1247291,Mg2V3InS8,-5.9405482786,-1.2051510661,0.1096545821,0.1096545821,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:In-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:In-Mg-S-V, expected Mg2V3InS16 to be Mg2V3InS8" +mp-1247489,Mg2VIn3S8,-4.9442154271,-1.1134214061,0.0567751057,0.0567751057,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:In-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_a2e_i_4i3j_c:In-Mg-S-V, expected Mg2V(InS4)5 to be Mg2VIn3S8" +mp-2225977,Mg(VS2)2,-6.2425904071,-1.0548915989,0.3322186175,0.3322186175,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Mg-S-V,7.0,"Invalid WP multiplicities - AB4C2_aP7_2_a_3i_i:Mg-S-V, expected Mg(VS3)2 to be Mg(VS2)2" +mp-1407214,Mg(VS2)2,-6.4603323029,-1.2726334946,0.1144767218,0.1144767218,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Mg-S-V,14.0,AB4C2_tI28_141_a_h_d:Mg-S-V +mp-2225835,Mg(VS2)2,-6.3285984071,-1.1408995989,0.2462106175,0.2462106175,GGA,P3m1,AB4C2_hP7_156_a_2a2b_2c:Mg-S-V,7.0,AB4C2_hP7_156_a_2a2b_2c:Mg-S-V +mp-2225358,Mg(VS2)2,-6.31570663,-1.1280078218,0.2591023946,0.2591023946,GGA,P3m1,AB4C2_hP7_156_a_2a2b_ab:Mg-S-V,7.0,AB4C2_hP7_156_a_2a2b_ab:Mg-S-V +mp-2226731,Mg(VS2)2,-6.3876110971,-1.1999122889,0.1871979275,0.1871979275,GGA,P-3m1,AB4C2_hP7_164_a_2d_d:Mg-S-V,7.0,"Invalid WP multiplicities - AB4C2_hP7_164_a_3d_d:Mg-S-V, expected Mg(VS3)2 to be Mg(VS2)2" +mp-2225363,Mg(VS2)2,-6.4157985157,-1.2280997075,0.1590105089,0.1590105089,GGA,P-3m1,AB4C2_hP7_164_a_2d_c:Mg-S-V,7.0,"Invalid WP multiplicities - AB4C2_hP7_164_a_4d_c:Mg-S-V, expected Mg(VS4)2 to be Mg(VS2)2" +mp-2225608,Mg(VS2)2,-6.2443908243,-1.0566920161,0.3304182004,0.3304182004,GGA,P-6m2,AB4C2_hP7_187_a_gh_i:Mg-S-V,7.0,AB4C2_hP7_187_a_gh_i:Mg-S-V +mp-1446454,Mg(VS2)2,-6.4588750336,-1.2711762254,0.1159339911,0.1159339911,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-V,14.0,AB4C2_cF56_227_a_e_d:Mg-S-V +mp-1247055,MgVInS4,-5.4388956836,-1.1558000668,0.0867010132,0.0867010132,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:In-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:In-Mg-S-V, expected MgVInS12 to be MgVInS4" +mp-1372476,MgV2S5,-6.1164158069,-1.0601231163,0.2604788056,0.2604788056,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Mg-S-V,16.0,AB5C2_oP16_59_a_b2e_e:Mg-S-V +mp-1120732,VIn3S4,-4.99926627,-0.7636716791,0.1109450719,0.1109450719,GGA,I-43m,A3B4C_cI16_217_b_c_a:In-S-V,8.0,A3B4C_cI16_217_b_c_a:In-S-V +mp-1147661,MgVS3,-5.7897228375,-1.1710156934,0.2209765005,0.2209765005,GGA,Cm,AB3C_mC40_8_4a_4a4b_4a:Mg-S-V,20.0,AB3C_mC40_8_4a_4a4b_4a:Mg-S-V +mp-2210687,MgVS2,-5.06976625,-0.3304947866,1.1126794083,1.1126794083,GGA,C2/m,AB2C_mC8_12_a_i_b:Mg-S-V,4.0,AB2C_mC8_12_a_i_b:Mg-S-V +mp-2222812,MgVS2,-5.0698874825,-0.3306160191,1.1125581758,1.1125581758,GGA,C2/m,AB2C_mC8_12_a_i_b:Mg-S-V,4.0,AB2C_mC8_12_a_i_b:Mg-S-V +mp-2210686,MgVS2,-5.903964705,-1.1646932416,0.2784809533,0.2784809533,GGA,R3m,AB2C_hR12_160_a_2a_a:Mg-S-V,4.0,AB2C_hR12_160_a_2a_a:Mg-S-V +mp-2210682,MgVS2,-5.893984455,-1.1547129916,0.2884612033,0.2884612033,GGA,R3m,AB2C_hR12_160_a_2a_a:Mg-S-V,4.0,AB2C_hR12_160_a_2a_a:Mg-S-V +mp-2210614,MgVS2,-5.98849019,-1.2492187266,0.1939554683,0.1939554683,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-S-V,4.0,AB2C_hR12_166_a_c_b:Mg-S-V +mp-1216961,V9InS12,-7.3310224993,-1.2335571919,0.0079621941,0.0079621941,GGA,R-3,AB12C9_hR132_148_ab_4f_3f:In-S-V,44.0,"Invalid WP multiplicities - AB12C9_hR132_148_ab_16f_16f:In-S-V, expected V48InS48 to be V9InS12" +mp-1402995,Mg(VS2)4,-6.6462620677,-1.1826079704,0.1188905163,0.1188905163,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Mg-S-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_c2h_ad:Mg-S-V, expected Mg(V2S7)2 to be Mg(VS2)4" +mp-1411261,Mg(VS2)4,-6.7089643323,-1.245310235,0.0561882517,0.0561882517,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-S-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-S-V, expected Mg(V2S7)2 to be Mg(VS2)4" +mp-1246770,Mg(VS2)4,-6.7318127054,-1.2681586081,0.0333398787,0.0333398787,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Mg-S-V,13.0,"Invalid WP multiplicities - AB8C4_cF52_216_a_5e_e:Mg-S-V, expected Mg(VS5)4 to be Mg(VS2)4" +mp-2218282,Mg(VS2)4,-6.3033483308000005,-0.8396942335,0.4618042533,0.4618042533,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Mg-S-V,13.0,"Invalid WP multiplicities - AB8C4_cF52_216_a_3e_e:Mg-S-V, expected Mg(VS3)4 to be Mg(VS2)4" +mp-761857,LiNb(BO3)2,-8.3066073675,-2.8016929959,0.0876413432,0.0876413432,GGA,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:B-Li-Nb-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_7e_e_e_21e:B-Li-Nb-O, expected LiNb(BO3)7 to be LiNb(BO3)2" +mp-1245334,Mn11(CN5)2,-8.9002189176,-0.0913298547,0.335563541,0.335563541,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-Mn-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-Mn-N +mp-1246005,MnOsN2,-9.1916672213,0.0739259218,0.313013665,0.313013665,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Os,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Os +mp-581026,Mn(C2N3)2,-8.6672131795,0.0687547125,0.15569571,0.15569571,GGA,Pnnm,A4BC6_oP22_58_h_a_gh:C-Mn-N,22.0,"Invalid WP multiplicities - A4BC6_oP22_58_h_a_4g5h:C-Mn-N, expected Mn(CN7)4 to be Mn(C2N3)2" +mp-1245491,Os2(CN2)3,-8.7321594964,0.373267857,0.373267857,0.373267857,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Os,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Os +mp-1246344,Os2(CN2)3,-8.8292972645,0.2761300889,0.2761300889,0.2761300889,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:C-N-Os,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2e2f_12f_f:C-N-Os, expected Os(CN4)3 to be Os2(CN2)3" +mp-570761,Mn2Os(CN)6,-9.0002777873,-0.0041204194,0.1233930437,0.1233930437,GGA,P-31m,A6B2C6D_hP15_162_k_c_k_b:C-Mn-N-Os,15.0,A6B2C6D_hP15_162_k_c_k_b:C-Mn-N-Os +mp-1245734,Mn(C4N3)2,-8.6322712903,0.2350826285,0.29883936,0.29883936,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Mn-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Mn-N +mp-1246950,Mn(C4N3)2,-8.6306186993,0.2367352195,0.300491951,0.300491951,GGA,P-3m1,A8BC6_hP15_164_di_a_i:C-Mn-N,15.0,"Invalid WP multiplicities - A8BC6_hP15_164_2d2i_a_i:C-Mn-N, expected Mn(C8N3)2 to be Mn(C4N3)2" +mp-1245977,Mn(C2N3)3,-8.4975873472,0.2250665636,0.2848384994,0.2848384994,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Mn-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Mn-N +mp-1245492,Mn(CN)2,-8.700283728,0.1581834974,0.349453692,0.349453692,GGA,P-43m,A2BC2_cP10_215_e_ab_e:C-Mn-N,10.0,A2BC2_cP10_215_e_ab_e:C-Mn-N +mp-1222027,Mn10C3N,-9.0816525579,0.0356791795,0.1899884222,0.1899884222,GGA,P3m1,A3B10C_hP14_156_3a_5b5c_a:C-Mn-N,14.0,A3B10C_hP14_156_3a_5b5c_a:C-Mn-N +mp-12335,MnCN2,-8.9345091525,-0.1685914939,0.0704962494,0.0704962494,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Mn-N,4.0,ABC2_hR12_166_a_b_c:C-Mn-N +mp-1247177,Mn2(CN2)3,-8.79804082,-0.0681320371,0.105749958,0.105749958,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Mn-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Mn-N +mp-1245400,Mn2(CN2)3,-8.8252324305,-0.0953236476,0.0785583475,0.0785583475,GGA,C2/c,A3B2C6_mC44_15_ef_f_3f:C-Mn-N,22.0,"Invalid WP multiplicities - A3B2C6_mC44_15_2e2f_f_12f:C-Mn-N, expected Mn(CN4)3 to be Mn2(CN2)3" +mp-1246697,Os(C2N3)3,-8.51659087,0.3351475494,0.3351475494,0.3351475494,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Os,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Os +mp-1247071,Mn2OsN3,-9.2402808417,-0.1468003768,0.1719832808,0.1719832808,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mn-N-Os,12.0,A2B3C_oC24_36_b_ab_a:Mn-N-Os +mp-1211607,Li3La2(BO3)3,-7.8361373772,-3.1210105229,0.0031659916,0.0031659916,GGA,P2_1/c,A3B2C3D9_mP68_14_3e_2e_3e_9e:B-La-Li-O,68.0,A3B2C3D9_mP68_14_3e_2e_3e_9e:B-La-Li-O +mp-1217993,TaBi(WO5)2,-8.780157825,-2.2743425155,0.1405753104,0.1405753104,GGA+U,Amm2,AB10CD2_oC28_38_a_2b3de_a_d:Bi-O-Ta-W,14.0,"Invalid WP multiplicities - AB10CD2_oC28_65_a_cdf2g3p_b_e:Bi-O-Ta-W, expected TaBi(WO10)2 to be TaBi(WO5)2" +mp-689140,PbWO4,-8.0771700058,-2.0009146483,0.0540742567,-0.0197576932,GGA+U,P1,A4BC_aP12_1_8a_2a_2a:O-Pb-W,12.0,A4BC_aP12_1_8a_2a_2a:O-Pb-W +mp-795689,PbWO4,-2.7014886567,3.3747667008,5.4297556058,5.3559236559,GGA+U,P-1,A4BC_aP12_2_4i_i_i:O-Pb-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:O-Pb-W, expected PbWO7 to be PbWO4" +mp-1173387,PbWO4,-8.0795580817,-2.0033027242,0.0516861808,-0.0221457691,GGA+U,P-1,A4BC_aP12_2_4i_i_i:O-Pb-W,12.0,A4BC_tI24_88_f_a_b:O-Pb-W +mp-641415,PbWO4,-8.08695785,-2.0107024925,0.0442864125,-0.0295455374,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:O-Pb-W,48.0,A4BC_mP48_14_8e_2e_2e:O-Pb-W +mp-504591,PbWO4,-8.1312442625,-2.054988905,0.0,-0.0738319499,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pb-W,24.0,A4BC_mP24_14_4e_e_e:O-Pb-W +mp-558734,PbWO4,-8.0961323804,-2.0198770229,0.0351118821,-0.0387200678,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pb-W,24.0,"Invalid WP multiplicities - A4BC_mP24_14_14e_e_e:O-Pb-W, expected PbWO14 to be PbWO4" +mp-1179954,PbWO4,-8.0934167596,-2.0171614021,0.0378275029,-0.036004447,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pb-W,24.0,"Invalid WP multiplicities - A4BC_mP24_14_14e_e_e:O-Pb-W, expected PbWO14 to be PbWO4" +mp-641365,PbWO4,-8.0701138608,-1.9938585033,0.0611304017,-0.0127015482,GGA+U,C2/c,A4BC_mC24_15_2f_e_e:O-Pb-W,12.0,"Invalid WP multiplicities - A4BC_mC24_15_6f_e_e:O-Pb-W, expected PbWO12 to be PbWO4" +mp-22410,PbWO4,-8.0803769342,-2.0041215767,0.0508673283,-0.0229646216,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-Pb-W,12.0,A4BC_tI24_88_f_a_b:O-Pb-W +mp-641441,PbWO4,-7.8823145888,-1.8060592312,0.2489296737,0.1750977239,GGA+U,Cmce,A4BC_oC48_64_de2f_e_f:O-Pb-W,24.0,"Invalid WP multiplicities - A4BC_oC48_64_4d3e8f_e_f:O-Pb-W, expected PbWO15 to be PbWO4" +mp-22124,Fe2WO6,-8.5128795661,-1.8930679086,0.0298801974,0.0298801974,GGA+U,Pbcn,A2B6C_oP36_60_2c_3d_c:Fe-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_2c_7d_c:Fe-O-W, expected Fe2WO14 to be Fe2WO6" +mp-1041598,Fe(WO4)2,-8.5457546527,-1.8221372564,0.1600586926,0.1600586926,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Fe-O-W,22.0,AB8C2_mP22_13_e_4g_g:Fe-O-W +mp-25197,Fe(WO4)2,-8.5705363809,-1.8469189845,0.1352769644,0.1352769644,GGA+U,C2/c,AB8C2_mC44_15_e_4f_f:Fe-O-W,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_8f_f:Fe-O-W, expected Fe(WO8)2 to be Fe(WO4)2" +mp-1205806,FePb2WO6,-7.568776322,-1.7154185373000002,0.1079484384,0.1079484384,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Pb-W,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Pb-W +mp-19421,FeWO4,-8.892696,-2.0235449525,0.0,-0.0682832231,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Fe-O-W,12.0,AB4C_mP12_13_e_2g_f:Fe-O-W +mp-1201110,Pb3WO6,-7.1561444642,-1.7785240935000002,0.0423543011,0.0423543011,GGA+U,P2_1/c,A6B3C_mP40_14_6e_3e_e:O-Pb-W,40.0,A6B3C_mP40_14_6e_3e_e:O-Pb-W +mp-1210335,PbWO2,-7.3735534225,-0.7325147419,0.8087269369000001,0.8087269369000001,GGA+U,I4_1/a,A2BC_tI32_88_f_c_d:O-Pb-W,16.0,A2BC_tI32_88_f_c_d:O-Pb-W +mp-1210194,PbWO2,-7.1850723325,-0.5440336519,0.9972080269,0.9972080269,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-Pb-W,16.0,A2BC_tI32_141_h_c_d:O-Pb-W +mp-1042860,Fe2(WO4)3,-8.6960274024,-1.9210451879,0.1284284338,0.1284284338,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Fe-O-W,34.0,A2B12C3_aP34_2_2i_12i_3i:Fe-O-W +mp-1213596,Fe2(WO4)3,-8.7514730604,-1.976490846,0.0729827757,0.0729827757,GGA+U,P2_1/c,A2B12C3_mP136_14_4e_24e_6e:Fe-O-W,136.0,A2B12C3_mP136_14_4e_24e_6e:Fe-O-W +mp-1224835,Fe2Pb3WO9,-7.4523591713,-1.7486050206,0.0345988189,0.0345988189,GGA+U,P-3m1,A2B9C3D_hP15_164_d_ei_ad_b:Fe-O-Pb-W,15.0,A2B9C3D_hP15_164_d_ei_ad_b:Fe-O-Pb-W +mp-22681,Pb2WO5,-7.51543651,-1.8758280192,0.0328418168,0.0328418168,GGA+U,C2/m,A5B2C_mC32_12_g2ij_2i_i:O-Pb-W,16.0,"Invalid WP multiplicities - A5B2C_mC32_12_g2i2j_2i_i:O-Pb-W, expected Pb2WO7 to be Pb2WO5" +mp-631895,FePbW2,-8.673133295,0.85159889,0.8603247622,0.8603247622,GGA,F-43m,ABC2_cF16_216_a_c_bd:Fe-Pb-W,4.0,ABC2_cF16_216_a_c_bd:Fe-Pb-W +mp-570723,La5Si5I3,-5.4277415935,-1.1026089223,0.0007304462,0.0007304462,GGA,C2/m,A3B5C5_mC52_12_3i_5i_5i:I-La-Si,26.0,"Invalid WP multiplicities - A3B5C5_mC52_12_5i_8i_9i:I-La-Si, expected La8Si9I5 to be La5Si5I3" +mp-1206265,LaSiI,-5.20653988,-1.2616427183,0.0,-0.0260939964,GGA,P-3m1,ABC_hP6_164_d_c_d:I-La-Si,6.0,ABC_hP6_164_d_c_d:I-La-Si +mp-559088,La2Si(IO2)2,-7.4130110881,-3.1873644453,0.0265405597,0.0265405597,GGA,P-1,A2B2C4D_aP36_2_4i_4i_8i_2i:I-La-O-Si,36.0,"Invalid WP multiplicities - A2B2C4D_aP36_2_8i_7i_14i_3i:I-La-O-Si, expected La7Si3(I4O7)2 to be La2Si(IO2)2" +mp-1203654,La2Si(IO2)2,-7.4291344588,-3.203487816,0.010417189,0.010417189,GGA,P2_1/c,A2B2C4D_mP72_14_4e_4e_8e_2e:I-La-O-Si,72.0,A2B2C4D_mP72_14_4e_4e_8e_2e:I-La-O-Si +mp-1206826,La4SiI5,-4.794730749,-1.541112929,0.0,-0.0203510185,GGA,C2/m,A5B4C_mC20_12_a2i_2i_c:I-La-Si,10.0,A5B4C_mC20_12_a2i_2i_d:I-La-Si +mp-582175,La4Si4I3,-5.3434706891,-1.1738889082,0.0,-0.0062207057,GGA,C2/m,A3B4C4_mC44_12_3i_4i_4i:I-La-Si,22.0,"Invalid WP multiplicities - A3B4C4_mC44_12_5i_7i_8i:I-La-Si, expected La7Si8I5 to be La4Si4I3" +mp-1211402,La3SiI3,-4.9604012936,-1.4384815229,0.0,-0.030926703,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-Si,28.0,A3B3C_cI56_214_h_g_a:I-La-Si +mp-559613,K6Se2O9,-5.1530611349,-1.7310367208000002,0.0,-0.0206384621,GGA,P4_12_12,A6B9C2_tP68_92_3b_a4b_2a:K-O-Se,68.0,"Invalid WP multiplicities - A6B9C2_tP68_92_16b_4a27b_6a:K-O-Se, expected K16Se3O29 to be K6Se2O9" +mp-1212297,K(SeO3)2,-5.4201495417,-1.2221101895,0.1262505561,0.1262505561,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:K-O-Se,36.0,AB6C2_mP36_14_e_6e_2e:K-O-Se +mp-1196518,K(SeO3)2,-5.339240715,-1.1412013628,0.2071593828,0.2071593828,GGA,Pbcn,AB6C2_oP36_60_c_3d_d:K-O-Se,36.0,AB6C2_oP36_60_c_3d_d:K-O-Se +mp-735141,KSeO4,-5.346950949,-1.2814400707,0.1443677128,0.1443677128,GGA,Pbca,AB4C_oP96_61_2c_8c_2c:K-O-Se,96.0,AB4C_oP96_61_2c_8c_2c:K-O-Se +mp-1190160,K2Se2O7,-5.5408304755,-1.5554266729,0.0,-0.0784847428,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:K-O-Se,22.0,A2B7C2_mC44_15_f_e3f_f:K-O-Se +mp-559568,K2Se2O5,-5.4456791044,-1.6738941705,0.0,-0.0680448684,GGA,Pbca,A2B5C2_oP144_61_4c_10c_4c:K-O-Se,144.0,"Invalid WP multiplicities - A2B5C2_oP144_61_23c_71c_23c:K-O-Se, expected K23Se23O71 to be K2Se2O5" +mp-721956,K3(SeO4)2,-5.4371984665,-1.5990038907000002,0.0333659495,0.0333659495,GGA,C2/c,A3B8C2_mC52_15_ef_4f_f:K-O-Se,26.0,A3B8C2_mC52_15_ef_4f_f:K-O-Se +mp-1211706,K3(SeO4)2,-5.3746949708,-1.5365003949,0.0958694453,0.0958694453,GGA,P-3m1,A3B8C2_hP13_164_ad_di_d:K-O-Se,13.0,A3B8C2_hP13_164_ad_di_d:K-O-Se +mp-1202434,KNb3(SeO6)2,-7.8474640297,-2.4159972765,0.0,-0.0219718608,GGA,Pbcm,AB3C12D2_oP72_57_d_de_cd5e_e:K-Nb-O-Se,72.0,AB3C12D2_oP72_57_d_de_cd5e_e:K-Nb-O-Se +mp-1103867,K2Se4O,-3.8420232893,-0.8204329299,0.3161744756,0.3161744756,GGA,Cc,A2BC4_mC28_9_2a_a_4a:K-O-Se,14.0,A2BC4_mC28_9_2a_a_4a:K-O-Se +mp-560666,K4Nb2Se11O,-5.0429329257,-1.2626039905,0.0,-0.0240545442,GGA,Pbca,A4B2CD11_oP144_61_4c_2c_c_11c:K-Nb-O-Se,144.0,"Invalid WP multiplicities - A4B2CD11_oP144_61_26c_10c_c_82c:K-Nb-O-Se, expected K26Nb10Se82O to be K4Nb2Se11O" +mp-1080432,K2Se2O,-3.769593228,-0.9377313159,0.4375124387,0.4375124387,GGA,C2/c,A2BC2_mC20_15_f_e_f:K-O-Se,10.0,A2BC2_mC20_15_f_e_f:K-O-Se +mp-557025,K2SeO4,-5.4527750626,-1.8094230317,0.0,-0.1442790798,GGA,Pna2_1,A2B4C_oP84_33_6a_12a_3a:K-O-Se,84.0,"Invalid WP multiplicities - A2B4C_oP84_33_17a_45a_12a:K-O-Se, expected K17(Se4O15)3 to be K2SeO4" +mp-5226,K2SeO4,-5.4526630614,-1.8093110305,0.0001120012,-0.1441670786,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:K-O-Se,28.0,A2B4C_oP28_62_2c_2cd_c:K-O-Se +mp-1105576,KSe2O,-4.18009939,-0.9178717366,0.3143567934,0.3143567934,GGA,Pc,ABC2_mP16_7_2a_2a_4a:K-O-Se,16.0,ABC2_mP16_7_2a_2a_4a:K-O-Se +mp-757798,Bi12PO20,-6.3290456573,-1.7704715272,0.0149167946,0.0149167946,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-P,33.0,"Invalid WP multiplicities - A12B20C_cI66_197_f_6c6f_a:Bi-O-P, expected Bi12PO96 to be Bi12PO20" +mp-676668,Bi8(P2O9)3,-6.4842059661,-1.6850761299,0.6482271238,0.6482271238,GGA,P1,A8B27C6_aP82_1_16a_54a_12a:Bi-O-P,82.0,A8B27C6_aP82_1_16a_54a_12a:Bi-O-P +mp-1043572,BiPO5,-6.7641922496,-1.9088729364,0.166609887,0.166609887,GGA,Fdd2,AB5C_oF112_43_b_5b_b:Bi-O-P,28.0,"Invalid WP multiplicities - AB5C_oF112_43_b_14b_b:Bi-O-P, expected BiPO14 to be BiPO5" +mp-1352981,Bi6P2O15,-6.6240635115,-1.9253734914,0.0974554783,0.0974554783,GGA,C2,A6B15C2_mC92_5_6c_2a14c_2c:Bi-O-P,46.0,"Invalid WP multiplicities - A6B15C2_mC92_5_11c_2a26c_2c:Bi-O-P, expected Bi11P2O27 to be Bi6P2O15" +mp-767410,Bi6P2O15,-6.6525346952,-1.9538446751,0.0689842946,0.0689842946,GGA,Ccc2,A6B15C2_oC92_37_3d_a7d_d:Bi-O-P,46.0,"Invalid WP multiplicities - A6B15C2_oC92_37_5d_a14d_d:Bi-O-P, expected Bi10P2O29 to be Bi6P2O15" +mp-1044873,Bi2P2O9,-6.9284657944,-2.0801748964,0.1549604518,0.1549604518,GGA,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Bi-O-P,52.0,"Invalid WP multiplicities - A2B9C2_oP52_62_ac_7c2d_2c:Bi-O-P, expected Bi2P2O11 to be Bi2P2O9" +mp-558798,BiPO4,-7.2600270883,-2.4199360081,0.0014606192,-0.0585091177,GGA,P2_1/m,AB4C_mP12_11_e_2ef_e:Bi-O-P,12.0,"Invalid WP multiplicities - AB4C_mP12_11_e_3e2f_e:Bi-O-P, expected BiPO7 to be BiPO4" +mp-23332,BiPO4,-6.3178981767,-1.4778070964,0.9435895308,0.883619794,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Bi-O-P,24.0,AB4C_mP24_14_e_4e_e:Bi-O-P +mp-1190564,BiPO4,-7.2467258121,-2.4066347318,0.0147618954,-0.0452078414,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Bi-O-P,24.0,AB4C_mP24_14_e_4e_e:Bi-O-P +mp-1044794,BiPO4,-7.160305166,-2.3202140858,0.1011825415,0.0412128046,GGA,C2/c,AB4C_mC96_15_aef_8f_2f:Bi-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ae2f_30f_6f:Bi-O-P, expected Bi7(PO5)12 to be BiPO4" +mp-1524357,BiPO4,-7.2614877075,-2.4213966272,0.0,-0.0599697368,GGA,Cmcm,AB4C_oC24_63_c_fg_c:Bi-O-P,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_2f2g_c:Bi-O-P, expected BiPO8 to be BiPO4" +mp-729895,BiPO4,-7.2533017156,-2.4132106353,0.0081859919,-0.0517837449,GGA,P3_121,AB4C_hP18_152_a_2c_b:Bi-O-P,18.0,AB4C_hP18_152_a_2c_b:Bi-O-P +mp-685353,Bi15PO25,-6.3228643582,-1.7695019866,0.0053854967,0.0053854967,GGA,R3,A15B25C_hR492_146_20b_10a30b_4a:Bi-O-P,164.0,"Invalid WP multiplicities - A15B25C_hR492_146_60b_10a80b_4a:Bi-O-P, expected Bi90P2O125 to be Bi15PO25" +mp-673116,Bi5(PO4)6,-7.065945282,-2.197294146,0.1359440453,0.1359440453,GGA,P1,A5B24C6_aP35_1_5a_24a_6a:Bi-O-P,35.0,A5B24C6_aP35_1_5a_24a_6a:Bi-O-P +mp-1041261,Bi3P3O13,-7.0203426192,-2.1746411373,0.1193135622,0.1193135622,GGA,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Bi-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Bi-O-P, expected Bi5P3O34 to be Bi3P3O13" +mp-584116,Bi3(PO5)2,-6.9423349873,-2.1546710196,0.0778717587,0.0778717587,GGA,P1,A3B10C2_aP15_1_3a_10a_2a:Bi-O-P,15.0,A3B10C2_aP15_1_3a_10a_2a:Bi-O-P +mp-1374332,Bi3(PO5)2,-6.9495395907,-2.1618756229,0.0706671553,0.0706671553,GGA,P-1,A3B10C2_aP30_2_3i_10i_2i:Bi-O-P,30.0,"Invalid WP multiplicities - A3B10C2_aP30_2_5i_20i_2i:Bi-O-P, expected Bi5(PO10)2 to be Bi3(PO5)2" +mp-1205424,Bi3(PO5)2,-6.9630368563000005,-2.1753728886,0.0571698897,0.0571698897,GGA,P-1,A3B10C2_aP30_2_3i_10i_2i:Bi-O-P,30.0,A3B10C2_aP30_2_3i_10i_2i:Bi-O-P +mp-27135,Bi(PO3)3,-7.4621887471,-2.4929122047,0.0,-0.0075923533,GGA,P2_1/c,AB9C3_mP52_14_e_9e_3e:Bi-O-P,52.0,AB9C3_mP52_14_e_9e_3e:Bi-O-P +mp-26100,Bi2(PO4)3,-7.0456479469,-2.1467567519,0.0931372131,0.0931372131,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Bi-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_4e_43e_7e:Bi-O-P, expected Bi4P7O43 to be Bi2(PO4)3" +mp-26286,Bi2(PO4)3,-7.0563213791,-2.1574301841,0.0824637808,0.0824637808,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Bi-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_6e_41e_10e:Bi-O-P, expected Bi6P10O41 to be Bi2(PO4)3" +mp-26302,Bi2(PO4)3,-7.0411079596,-2.1422167646,0.0976772004,0.0976772004,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Bi-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_46e_11e:Bi-O-P, expected Bi3P11O46 to be Bi2(PO4)3" +mp-26074,Bi2(PO4)3,-7.0671514029,-2.1682602079,0.071633757,0.071633757,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Bi-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_21f_f:Bi-O-P, expected BiPO21 to be Bi2(PO4)3" +mp-504324,Bi(PO3)4,-7.3733573344,-2.3819477055,0.0367492822,0.0367492822,GGA,P2_1,AB12C4_mP34_4_a_12a_4a:Bi-O-P,34.0,"Invalid WP multiplicities - AB12C4_mP34_4_a_24a_8a:Bi-O-P, expected Bi(PO3)8 to be Bi(PO3)4" +mp-25960,Bi(PO3)4,-7.3378100741,-2.3464004452,0.0722965425,0.0722965425,GGA,C2/m,AB12C4_mC68_12_i_gi5j_2j:Bi-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_i_g2i12j_5j:Bi-O-P, expected BiP10O27 to be Bi(PO3)4" +mp-684096,Bi(PO3)4,-7.3636611943,-2.3722515653,0.0464454224,0.0464454224,GGA,P2_1/c,AB12C4_mP68_14_e_12e_4e:Bi-O-P,68.0,"Invalid WP multiplicities - AB12C4_mP68_14_e_45e_13e:Bi-O-P, expected BiP13O45 to be Bi(PO3)4" +mp-26574,Bi(PO3)4,-7.3689741666,-2.3775645377,0.04113245,0.04113245,GGA,P2_1/c,AB12C4_mP68_14_e_12e_4e:Bi-O-P,68.0,"Invalid WP multiplicities - AB12C4_mP68_14_e_47e_13e:Bi-O-P, expected BiP13O47 to be Bi(PO3)4" +mp-673020,Bi(PO3)4,-7.3697292382,-2.3783196093,0.0403773784,0.0403773784,GGA,P2_1/c,AB12C4_mP68_14_e_12e_4e:Bi-O-P,68.0,"Invalid WP multiplicities - AB12C4_mP68_14_e_44e_10e:Bi-O-P, expected Bi(P5O22)2 to be Bi(PO3)4" +mp-504355,Bi(PO3)4,-7.3795680662,-2.3881584373,0.0305385505,0.0305385505,GGA,C2/c,AB12C4_mC68_15_e_6f_2f:Bi-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_17f_7f:Bi-O-P, expected Bi(P7O17)2 to be Bi(PO3)4" +mp-25906,Bi(PO3)4,-7.3724285726,-2.3810189437,0.037678044,0.037678044,GGA,C222_1,AB12C4_oC136_20_c_12c_ab3c:Bi-O-P,68.0,"Invalid WP multiplicities - AB12C4_oC136_20_c_47c_2ab12c:Bi-O-P, expected Bi2P27O94 to be Bi(PO3)4" +mp-684495,Bi(PO3)4,-7.3504179659,-2.359008337,0.0596886508,0.0596886508,GGA,Pbcn,AB12C4_oP68_60_c_6d_2d:Bi-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_37d_8d:Bi-O-P, expected Bi(P8O37)2 to be Bi(PO3)4" +mp-1227518,Bi3P3O14,-6.8163084955,-1.9655576521,0.2136993124,0.2136993124,GGA,C2,A3B14C3_mC40_5_ac_7c_bc:Bi-O-P,20.0,"Invalid WP multiplicities - A3B14C3_mC40_5_ac_13c_bc:Bi-O-P, expected Bi3P3O26 to be Bi3P3O14" +mp-1227609,Bi3P3O14,-6.708497717,-1.8577468736,0.3215100909,0.3215100909,GGA,C2,A3B14C3_mC40_5_ac_7c_bc:Bi-O-P,20.0,"Invalid WP multiplicities - A3B14C3_mC40_5_a2c_13c_b2c:Bi-O-P, expected Bi5P5O26 to be Bi3P3O14" +mp-28541,Bi2P4O13,-7.4074093061,-2.4789281727,0.0,-0.0085998346,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Bi-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_e7f_2f:Bi-O-P, expected Bi2P4O15 to be Bi2P4O13" +mp-1228070,Bi5(PO5)3,-7.031433824,-2.2643606136,0.0,-0.007983109,GGA,P-1,A5B15C3_aP92_2_10i_30i_6i:Bi-O-P,92.0,"Invalid WP multiplicities - A5B15C3_aP92_2_19i_60i_12i:Bi-O-P, expected Bi19(PO5)12 to be Bi5(PO5)3" +mp-758223,Bi11PO20,-6.2811926297,-1.7001783434000002,0.0808379167,0.0808379167,GGA,P1,A11B20C_aP32_1_11a_20a_a:Bi-O-P,32.0,A11B20C_aP32_1_11a_20a_a:Bi-O-P +mp-1237522,BiSb3(PO4)6,-7.2812916017,-2.3569434558,0.0,-0.0089379919,GGA,R-3,AB24C6D3_hR408_148_ae_16f_4f_bcdf:Bi-O-P-Sb,136.0,AB24C6D3_hR408_148_ae_16f_4f_bcdf:Bi-O-P-Sb +mp-26658,BiP2O7,-7.203445905,-2.2740543928,0.0809273713,0.0809273713,GGA,P-1,AB7C2_aP20_2_i_7i_2i:Bi-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_12i_2i:Bi-O-P, expected Bi(PO6)2 to be BiP2O7" +mp-1370240,BiP2O7,-7.177295625,-2.2479041128,0.1070776513,0.1070776513,GGA,P-1,AB7C2_aP20_2_i_7i_2i:Bi-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Bi-O-P, expected BiP2O13 to be BiP2O7" +mp-26210,BiP2O7,-7.2398775825,-2.3104860703,0.0444956938,0.0444956938,GGA,P2_1,AB7C2_mP20_4_a_7a_2a:Bi-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_13a_2a:Bi-O-P, expected BiP2O13 to be BiP2O7" +mp-672945,BiP2O7,-7.1922813555,-2.2628898433,0.0920919208,0.0920919208,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_24e_5e:Bi-O-P, expected BiP5O24 to be BiP2O7" +mp-672981,BiP2O7,-7.2318593465,-2.3024678343,0.0525139298,0.0525139298,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_26e_3e:Bi-O-P, expected BiP3O26 to be BiP2O7" +mp-766118,BiP2O7,-7.2249897515,-2.2955982393,0.0593835248,0.0593835248,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_3e:Bi-O-P, expected BiP3O25 to be BiP2O7" +mp-26594,BiP2O7,-7.2396708097,-2.3102792975,0.0447024666,0.0447024666,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_26e_3e:Bi-O-P, expected BiP3O26 to be BiP2O7" +mp-1041338,BiP2O7,-7.1575782645,-2.2281867523,0.1267950118,0.1267950118,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_28e_5e:Bi-O-P, expected BiP5O28 to be BiP2O7" +mp-25940,BiP2O7,-7.2316814662,-2.302289954,0.0526918101,0.0526918101,GGA,C2/c,AB7C2_mC80_15_f_7f_2f:Bi-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_24f_3f:Bi-O-P, expected Bi(PO8)3 to be BiP2O7" +mp-1214289,Bi4(PO4)3,-6.8572431932,-2.0697627418,0.2241919576,0.2241919576,GGA,I-43d,A4B12C3_cI76_220_c_e_a:Bi-O-P,38.0,A4B12C3_cI76_220_c_e_a:Bi-O-P +mp-1194903,Bi2PO6,-6.7759690319,-2.0232564726,0.0833837397,0.0833837397,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Bi-O-P,36.0,A2B6C_mP36_14_2e_6e_e:Bi-O-P +mp-756074,Bi2PO6,-6.7679999294,-2.0152873701,0.0913528422,0.0913528422,GGA,Ccce,A2B6C_oC36_68_e_hi_a:Bi-O-P,18.0,"Invalid WP multiplicities - A2B6C_oC36_68_e_2h2i_a:Bi-O-P, expected Bi2PO12 to be Bi2PO6" +mp-1214465,BiP5O14,-7.4994241271,-2.4913919461000003,0.0,-0.0170799598,GGA,Pnma,AB14C5_oP80_62_c_2c6d_c2d:Bi-O-P,80.0,AB14C5_oP80_62_c_2c6d_c2d:Bi-O-P +mp-1207803,Y12(ReC3)5,-9.0546897672,-0.3593687774,0.0161117406,0.0161117406,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Re-Y,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Re-Y +mp-9906,Y(Re2Si)2,-10.0494619236,-0.4644310788,0.0,-0.1208155664,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Re-Si-Y,14.0,A4B2C_tP14_136_i_f_a:Re-Si-Y +mp-21003,Y2ReC2,-9.1860392615,-0.4190791822,0.0,-0.0831551904,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Re-Y,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_6c_c_3c:C-Re-Y, expected Y3ReC6 to be Y2ReC2" +mp-1195855,Y2Re3Si5,-8.2975776835,-0.5582662903,0.0,-0.0151291661,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Re-Si-Y,40.0,A3B5C2_tP40_128_dh_egh_h:Re-Si-Y +mp-1025205,Y2Re2Si2C,-8.8754213929,-0.6038073715,0.0,-0.0384491121,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Y,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Re-Si-Y +mp-1205734,YRe2SiC,-9.666750793,-0.4648489918,0.0,-0.0334494795,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Re-Si-Y +mp-1216261,Y20Si12C,-6.8817316439,-0.7101587918000001,0.0,-0.0278967484,GGA,P2/m,AB12C20_mP33_10_a_mn2o_ijklmn2o:C-Si-Y,33.0,"Invalid WP multiplicities - AB12C20_mP33_10_a_2m2n6o_2ij2kl2m2n6o:C-Si-Y, expected Y44Si32C to be Y20Si12C" +mp-1188646,Y5Si3C,-7.0292546328,-0.6029240606,0.0665858656,0.0665858656,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Y,18.0,AB3C5_hP18_193_b_g_dg:C-Si-Y +mp-1190644,Y12Re5C6,-8.600092203500001,-0.1134712365,0.1883051822,0.1883051822,GGA,P-62m,A6B5C12_hP23_189_j_cg_2fk:C-Re-Y,23.0,A6B5C12_hP23_189_j_cg_2fk:C-Re-Y +mp-13516,TmAl3(BO3)4,-8.3436510775,-3.2541313509,0.0059080071,0.0059080071,GGA,R32,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Tm,20.0,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Tm +mp-1191390,TmAlB4,-6.3268188538,-0.5036557976,0.0,-0.0219507167,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Tm,24.0,AB4C_oP24_55_g_4h_g:Al-B-Tm +mp-19458,BaV10O15,-8.9435577271,-2.5220820999,0.0,-0.0112760272,GGA+U,Cmce,AB15C10_oC104_64_a_bdef2g_f2g:Ba-O-V,52.0,"Invalid WP multiplicities - AB15C10_oC104_64_a_bdef3g_f2g:Ba-O-V, expected BaV10O19 to be BaV10O15" +mp-1228785,Ba12V4O19,-7.1849780754,-2.8035378162,0.0554496371,0.0554496371,GGA+U,C2/m,A12B19C4_mC70_12_gh4i_abc4j_j:Ba-O-V,35.0,"Invalid WP multiplicities - A12B19C4_mC70_12_g2h8i_abc12j_j:Ba-O-V, expected Ba22V4O51 to be Ba12V4O19" +mp-18910,BaV4O9,-8.5442102107,-2.6317246663,0.0351356462,0.0351356462,GGA+U,P2/c,AB9C4_mP28_13_e_f4g_2g:Ba-O-V,28.0,AB9C4_mP28_13_e_f4g_2g:Ba-O-V +mp-766124,BaV8O21,-8.3533623155,-2.4043394343,0.0069771071,0.0069771071,GGA+U,P-1,AB21C8_aP60_2_i_ad20i_8i:Ba-O-V,60.0,"Invalid WP multiplicities - AB21C8_aP60_2_i_ad40i_15i:Ba-O-V, expected BaV15O41 to be BaV8O21" +mp-29037,BaV3O8,-8.3644057858,-2.6357222158,0.005471564,0.005471564,GGA+U,P2_1/m,AB8C3_mP24_11_e_4e2f_3e:Ba-O-V,24.0,"Invalid WP multiplicities - AB8C3_mP24_11_e_8e7f_6e:Ba-O-V, expected BaV6O22 to be BaV3O8" +mp-19150,BaVO3,-7.999602808,-2.8310133793,0.075138659,0.075138659,GGA+U,P-3m1,AB3C_hP25_164_a2d_e2i_bcd:Ba-O-V,25.0,"Invalid WP multiplicities - AB3C_hP25_164_a2d_2e3i_bcd:Ba-O-V, expected Ba5V5O24 to be BaVO3" +mp-1017465,BaVO3,-7.959825548,-2.7912361193,0.114915919,0.114915919,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-V,5.0,AB3C_cP5_221_a_c_b:Ba-O-V +mp-1182420,BaV6O11,-8.7742474203,-2.6166925767,0.0371858445,0.0371858445,GGA+U,Cmc2_1,AB11C6_oC72_36_a_5a3b_4ab:Ba-O-V,36.0,"Invalid WP multiplicities - AB11C6_oC72_36_a_8a9b_5a3b:Ba-O-V, expected BaV11O26 to be BaV6O11" +mp-610232,BaV6O11,-8.7936083544,-2.6360535109,0.0178249104,0.0178249104,GGA+U,Cmcm,AB11C6_oC72_63_c_c2fgh_acdf:Ba-O-V,36.0,"Invalid WP multiplicities - AB11C6_oC72_63_c_2c5f3g4h_2ac3df:Ba-O-V, expected BaV11O34 to be BaV6O11" +mp-1197031,BaV6O11,-8.7731507189,-2.6155958753,0.0382825459,0.0382825459,GGA+U,P6_3mc,AB11C6_hP36_186_b_2b3c_2abc:Ba-O-V,36.0,AB11C6_hP36_194_c_fhk_deg:Ba-O-V +mp-18891,BaV6O11,-8.7754180597,-2.6178632162,0.0360152051,0.0360152051,GGA+U,P6_3/mmc,AB11C6_hP36_194_c_fhk_deg:Ba-O-V,36.0,AB11C6_hP36_194_c_fhk_deg:Ba-O-V +mp-1376683,BaV4O7,-8.3850003925,-2.3115487093,0.3172194846,0.3172194846,GGA+U,P6_3mc,AB7C4_hP24_186_b_a2c_ac:Ba-O-V,24.0,AB7C4_hP24_186_b_a2c_ac:Ba-O-V +mp-1048112,Ba2V3O8,-7.99047124,-2.55484218,0.304744861,0.304744861,GGA+U,P4/mmm,A2B8C3_tP13_123_h_egi_bg:Ba-O-V,13.0,"Invalid WP multiplicities - A2B8C3_tP13_123_h_2e2g2i_b2g:Ba-O-V, expected Ba2V5O16 to be Ba2V3O8" +mp-723402,BaV2O7,-7.696750325,-2.2253895191,0.1997058485,0.1997058485,GGA+U,P2_12_12_1,AB7C2_oP40_19_a_7a_2a:Ba-O-V,40.0,AB7C2_oP40_19_a_7a_2a:Ba-O-V +mp-760256,Ba2V2O5,-7.8141784249,-2.6209333609,0.1409811841,0.1409811841,GGA+U,P1,A2B5C2_aP45_1_10a_25a_10a:Ba-O-V,45.0,A2B5C2_aP45_1_10a_25a_10a:Ba-O-V +mp-1274911,Ba2V2O5,-7.8696209233,-2.6763758593,0.0855386857,0.0855386857,GGA+U,Pmm2,A2B5C2_oP9_25_ac_bef_f:Ba-O-V,18.0,A2B5C2_oP9_25_ac_bef_f:Ba-O-V +mp-1277914,Ba2V2O5,-7.8591751683,-2.6659301043,0.0959844407,0.0959844407,GGA+U,Pmma,A2B5C2_oP18_51_ac_2efj_2f:Ba-O-V,18.0,"Invalid WP multiplicities - A2B5C2_oP18_51_ac_3efj_2f:Ba-O-V, expected BaVO3 to be Ba2V2O5" +mp-1304744,Ba2V2O5,-7.8733900806,-2.6801450165,0.0817695284,0.0817695284,GGA+U,Cmme,A2B5C2_oC36_67_ac_gin_n:Ba-O-V,18.0,A2B5C2_tP9_123_ab_ci_h:Ba-O-V +mp-1183325,Ba2V2O5,-7.8668328578,-2.6735877937,0.0883267512,0.0883267512,GGA+U,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Ba-O-V,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Ba-O-V, expected Ba2V2O9 to be Ba2V2O5" +mp-18929,BaV2O6,-8.2242081137,-2.6945504084,0.0,-0.0090391981,GGA+U,C222,AB6C2_oC54_21_af_j4l_kl:Ba-O-V,27.0,"Invalid WP multiplicities - AB6C2_oC54_21_af_j8l_kl:Ba-O-V, expected Ba3V6O34 to be BaV2O6" +mp-505392,Ba3V4O13,-8.1439395417,-2.8239644244,0.0,-0.0035744192,GGA+U,C2/c,A3B13C4_mC80_15_ef_e6f_2f:Ba-O-V,40.0,"Invalid WP multiplicities - A3B13C4_mC80_15_ef_e9f_2f:Ba-O-V, expected Ba3V4O19 to be Ba3V4O13" +mp-1214496,Ba3VO5,-7.2919265878,-2.8947849826,0.0128888047,0.0128888047,GGA+U,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ba-O-V,18.0,A3B5C_tI36_140_ah_cl_b:Ba-O-V +mp-1041271,BaV4O8,-8.3830007754,-2.3962231669,0.303258082,0.303258082,GGA+U,P-31m,AB8C4_hP13_162_a_ck_h:Ba-O-V,13.0,AB8C4_hP13_162_a_ck_h:Ba-O-V +mp-19096,Ba2VO4,-7.6041595961,-2.9315009111,0.0,-0.0279562963,GGA+U,P2_1/c,A2B4C_mP28_14_2e_4e_e:Ba-O-V,28.0,A2B4C_mP28_14_2e_4e_e:Ba-O-V +mp-1215102,Ba2ErV3O11,-8.3047879426,-3.0064960177,0.0192628093,0.0192628093,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Er-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Er-O-V +mp-19365,Ba3V2O8,-7.9041733446,-3.0196928331,0.0,-0.1115848225,GGA+U,R-3m,A3B8C2_hR39_166_ac_ch_c:Ba-O-V,13.0,A3B8C2_hR39_166_ac_ch_c:Ba-O-V +mp-28902,Ba8V7O22,-7.9669176895,-2.892152996,0.0241759468,0.0241759468,GGA+U,R-3m,A8B22C7_hR111_166_4c_2c3h_a3c:Ba-O-V,37.0,"Invalid WP multiplicities - A8B22C7_hR111_166_4c_2c4h_a3c:Ba-O-V, expected Ba8V7O28 to be Ba8V7O22" +mp-32531,Ba2V3O9,-8.222045075,-2.8213403256,0.0072466823,0.0072466823,GGA+U,P2_1,A2B9C3_mP28_4_2a_9a_3a:Ba-O-V,28.0,"Invalid WP multiplicities - A2B9C3_mP28_4_2a_17a_5a:Ba-O-V, expected Ba2V5O17 to be Ba2V3O9" +mp-766994,Ba10V10O29,-7.9010041495,-2.7278861347000003,0.1558274369,0.1558274369,GGA+U,P1,A10B29C10_aP98_1_20a_58a_20a:Ba-O-V,98.0,A10B29C10_aP98_1_20a_58a_20a:Ba-O-V +mp-1393209,Ba2V3O7,-7.8835717883,-2.4071976993,0.3759518112,0.3759518112,GGA+U,Pm,A2B7C3_mP12_6_2a_3a4b_3b:Ba-O-V,12.0,A2B7C3_mP12_6_2a_3a4b_3b:Ba-O-V +mp-1182604,BaV13O18,-8.93505394,-2.4022367321,0.0430973286,0.0430973286,GGA+U,P1,AB18C13_aP32_1_a_18a_13a:Ba-O-V,32.0,"Invalid WP multiplicities - AB18C13_aP32_2_a_18i_d12i:Ba-O-V, expected BaV25O36 to be BaV13O18" +mp-1344387,BaV13O18,-6.2107447097,0.3220724982,2.7674065589,2.7674065589,GGA+U,P1,AB18C13_aP32_1_a_18a_13a:Ba-O-V,32.0,"Invalid WP multiplicities - AB18C13_aP32_2_a_18i_d12i:Ba-O-V, expected BaV25O36 to be BaV13O18" +mp-638002,BaV13O18,-8.9243644788,-2.3915472709,0.0537867899,0.0537867899,GGA+U,P-1,AB18C13_aP32_2_a_9i_d6i:Ba-O-V,32.0,"Invalid WP multiplicities - AB18C13_aP32_2_a_18i_d12i:Ba-O-V, expected BaV25O36 to be BaV13O18" +mp-510249,BaV13O18,-8.9375658075,-2.4047485996,0.0405854611,0.0405854611,GGA+U,R-3,AB18C13_hR96_148_a_3f_b2f:Ba-O-V,32.0,"Invalid WP multiplicities - AB18C13_hR96_148_a_3f_b3f:Ba-O-V, expected BaV19O18 to be BaV13O18" +mp-863944,Ba5V5O14,-7.9878171929,-2.8099819009,0.0503582679,0.036089194,GGA+U,P1,A5B14C5_aP48_1_10a_28a_10a:Ba-O-V,48.0,A5B14C5_aP48_1_10a_28a_10a:Ba-O-V +mp-1183410,Ba5V5O14,-8.0381754608,-2.8603401689,0.0,-0.014269074,GGA+U,C2,A5B14C5_mC48_5_a2c_7c_b2c:Ba-O-V,48.0,A5B14C5_mC48_5_a2c_7c_b2c:Ba-O-V +mp-19088,Ba5V5O14,-8.0006906725,-2.8228553805,0.0374847883,0.0232157144,GGA+U,P-3m1,A5B14C5_hP24_164_a2d_d2i_bcd:Ba-O-V,24.0,"Invalid WP multiplicities - A5B14C5_hP24_164_a2d_d3i_bcd:Ba-O-V, expected BaVO4 to be Ba5V5O14" +mp-766481,BaV10O17,-8.9087910975,-2.5926573928,0.0188755457,0.0188755457,GGA+U,C2/c,AB17C10_mC112_15_e_e8f_5f:Ba-O-V,56.0,"Invalid WP multiplicities - AB17C10_mC112_15_e_2e30f_20f:Ba-O-V, expected BaV40O62 to be BaV10O17" +mp-19474,Ba2V2O7,-8.0717663116,-2.9233496753,0.0,-0.0222801202,GGA+U,P-1,A2B7C2_aP44_2_4i_14i_4i:Ba-O-V,44.0,A2B7C2_aP44_2_4i_14i_4i:Ba-O-V +mp-1110956,K3NdI6,-3.329319148,-1.6353649106,0.097707174,0.097707174,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Nd,10.0,A6B3C_cF40_225_e_ac_b:I-K-Nd +mp-1211886,K2NdI5,-3.5343627875,-1.7398906529,0.0,-0.0227988037,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:I-K-Nd,32.0,A5B2C_oP32_62_3cd_d_c:I-K-Nd +mp-676864,K3Nd3I10,-3.6246356512,-1.6015542363000002,0.0784509263,0.0784509263,GGA,P2_1,A10B3C3_mP32_4_10a_3a_3a:I-K-Nd,32.0,"Invalid WP multiplicities - A10B3C3_mP32_4_18a_4a_4a:I-K-Nd, expected K2Nd2I9 to be K3Nd3I10" +mp-1110963,K2NaNdI6,-3.331758495,-1.616591623,0.072313557,0.072313557,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Nd +mp-680327,K3Ta4F15,-6.604082172,-2.9934234505,0.3221733005,0.3221733005,GGA,Pmn2_1,A15B3C4_oP88_31_30a_6a_8a:F-K-Ta,88.0,"Invalid WP multiplicities - A15B3C4_oP88_31_59a_11a_16a:F-K-Ta, expected K11Ta16F59 to be K3Ta4F15" +mp-1205207,K3Ta4F15,-6.4738037359,-2.8631450144,0.4524517367,0.4524517367,GGA,Pmn2_1,A15B3C4_oP88_31_30a_6a_8a:F-K-Ta,88.0,A15B3C4_oP88_31_30a_6a_8a:F-K-Ta +mp-3975,K2TaF7,-6.260398931,-3.5145061014,0.0,-0.0235987955,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:F-K-Ta,40.0,A7B2C_mP40_14_7e_2e_e:F-K-Ta +mp-1196918,K2TaF7,-6.2478680255,-3.5019751959,0.0125309055,-0.01106789,GGA,Pnma,A7B2C_oP40_62_c3d_2c_c:F-K-Ta,40.0,A7B2C_oP40_62_c3d_2c_c:F-K-Ta +mp-1211395,KTaF6,-6.6497004862,-3.5950691885,0.0060483056,-0.0583552281,GGA,P-4c2,A6BC_tP16_116_ej_c_b:F-K-Ta,16.0,A6BC_tP16_116_ej_c_b:F-K-Ta +mp-1540904,KTaF6,-6.6557487919,-3.6011174941,0.0,-0.0644035337,GGA,P4_2/mcm,A6BC_tP16_132_io_b_c:F-K-Ta,16.0,A6BC_tP16_132_io_b_c:F-K-Ta +mp-866663,K3TaF8,-5.9575010312,-3.417433847,0.0006413246,0.0006413246,GGA,P6_3mc,A8B3C_hP24_186_ab2c_c_b:F-K-Ta,24.0,A8B3C_hP24_186_ab2c_c_b:F-K-Ta +mp-1112878,K2TaCuF6,-5.525493476,-2.5608278761000003,0.4856506468,0.4856506468,GGA,P-1,AB6C2D_aP10_2_b_3i_i_c:Cu-F-K-Ta,10.0,"Invalid WP multiplicities - AB6C2D_aP10_2_b_5i_i_c:Cu-F-K-Ta, expected K2TaCuF10 to be K2TaCuF6" +mp-1110844,K3TaF6,-5.567922545,-2.9021377174,0.2634973316,0.2634973316,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Ta,10.0,A6B3C_cF40_225_e_ac_b:F-K-Ta +mp-1226891,Cd3PI3,-2.4186202957000003,-0.6183244619,0.0,-0.0311391946,GGA,Pm,A3B3C_mP7_6_2ab_a2b_a:Cd-I-P,7.0,A3B3C_mP7_6_2ab_a2b_a:Cd-I-P +mp-568545,Cd4P2I3,-2.5811954329,-0.476943977,0.0242467904,0.0242467904,GGA,Pbca,A4B3C2_oP72_61_4c_3c_2c:Cd-I-P,72.0,"Invalid WP multiplicities - A4B3C2_oP72_61_25c_22c_12c:Cd-I-P, expected Cd25(P6I11)2 to be Cd4P2I3" +mp-29244,Cd2P3I,-3.5503488583,-0.2905066267,0.0189343321,0.0189343321,GGA,C2/c,A2BC3_mC24_15_f_e_ef:Cd-I-P,12.0,"Invalid WP multiplicities - A2BC3_mC24_15_f_e_2e2f:Cd-I-P, expected Cd2P6I to be Cd2P3I" +mp-1214033,Cd4AsPI3,-2.5132570214000003,-0.492803799,0.0145615308,0.0145615308,GGA,Pa-3,AB4C3D_cP72_205_c_cd_d_c:As-Cd-I-P,72.0,AB4C3D_cP72_205_c_cd_d_c:As-Cd-I-P +mp-1111931,K2ScHgF6,-5.114817051,-3.0822349341,0.1596835347,0.1596835347,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Sc +mp-28778,KScF4,-6.4299211833,-3.915123863,0.0,-0.0066063202,GGA,C2/m,A4BC_mC48_12_ac7i_2i_2i:F-K-Sc,24.0,A4BC_mC48_12_ad7i_2i_2i:F-K-Sc +mp-1111079,K3ScF6,-5.647542215,-3.5342882399,0.0108930502,0.0108930502,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Sc,10.0,A6B3C_cF40_225_e_ac_b:F-K-Sc +mp-1211731,K5Sc3F14,-6.099008278,-3.76673066,0.0,-0.0247138984,GGA,P4/mnc,A14B5C3_tP44_128_ehi_ag_bc:F-K-Sc,44.0,A14B5C3_tP44_128_ehi_ag_bc:F-K-Sc +mp-28439,KSc2F7,-6.775907469,-4.060338476,0.00810843,0.00810843,GGA,Cmmm,A7BC2_oC20_65_ahp_c_g:F-K-Sc,10.0,"Invalid WP multiplicities - A7BC2_oC20_65_ah2p_c_g:F-K-Sc, expected KSc2F11 to be KSc2F7" +mp-1196282,CsH2F3,-4.5378943665,-2.3020124724,0.0,-0.0709697273,GGA,P2_12_12_1,AB3C2_oP48_19_2a_6a_4a:Cs-F-H,48.0,AB3C2_oP48_19_2a_6a_4a:Cs-F-H +mp-1184796,H3F2,-4.209631617,-1.409404403,0.0,-0.028875692,GGA,P1,A2B3_aP10_1_4a_6a:F-H,10.0,A2B3_aP10_1_4a_6a:F-H +mp-1213721,Cs2FeHF5,-4.8623742461,-2.2833801532,0.3498410662,0.3498410662,GGA+U,Cmcm,A2B5CD_oC36_63_e_cfg_c_c:Cs-F-Fe-H,18.0,A2B5CD_oC36_63_e_cfg_c_c:Cs-F-Fe-H +mp-1225893,CsHF2,-4.4949098725,-2.4671382845,0.0165953887,-0.0299829214,GGA,P4/mmm,AB2C_tP4_123_c_g_b:Cs-F-H,4.0,AB2C_tP4_123_c_g_b:Cs-F-H +mp-24668,CsHF2,-4.5115052612,-2.4837336732,0.0,-0.0465783102,GGA,I4/mcm,AB2C_tI16_140_a_h_d:Cs-F-H,8.0,AB2C_tI16_140_a_h_d:Cs-F-H +mp-632296,HF,-4.34718411,-1.6950816037,0.030579285,-0.5205779346,GGA,Cmc2_1,AB_oC8_36_a_a:F-H,4.0,AB_oC8_36_a_a:F-H +mp-1536913,HF,-4.377763395,-1.7256608887,0.0,-0.5511572196,GGA,Cmcm,AB_oC8_63_c_c:F-H,4.0,AB_oC8_63_c_c:F-H +mp-1212847,Fe2H3F2,-4.0784817929,0.3416865629,1.4721753407,1.4721753407,GGA+U,P4/n,A2B2C3_tP28_85_g_g_dg:F-Fe-H,28.0,A2B2C3_tP28_85_g_g_dg:F-Fe-H +mp-555268,K2Sm2IrO7,-7.0820069404,-2.4884048302,0.0,-0.031744891,GGA,R-3c,AB2C7D2_hR72_167_b_c_af_c:Ir-K-O-Sm,24.0,"Invalid WP multiplicities - AB2C7D2_hR72_167_b_c_a2f_c:Ir-K-O-Sm, expected K2Sm2IrO13 to be K2Sm2IrO7" +mp-1211955,K2AgF4,-4.1549993221,-2.3408179268,0.0132515607,0.0132515607,GGA,Cmce,AB4C2_oC28_64_a_ef_f:Ag-F-K,14.0,AB4C2_oC28_64_a_ef_f:Ag-F-K +mp-7387,KAgF4,-3.9662398833,-2.0347614133,0.0,-0.1783258986,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Ag-F-K,12.0,AB4C_tI24_140_d_l_a:Ag-F-K +mp-1112272,K2TlAgF6,-4.211555562,-2.3230684771,0.030782686,0.030782686,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Tl +mp-1205357,KAgF3,-4.056807444,-2.1213290734,0.0,-0.050503961,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ag-F-K,20.0,AB3C_oP20_62_a_cd_c:Ag-F-K +mp-13819,KAgF3,-4.054930302,-2.1194519314,0.001877142,-0.048626819,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-F-K,5.0,AB3C_cP5_221_b_c_a:Ag-F-K +mp-1110831,K2NaNdF6,-5.469399987,-3.4913655445,0.074214983,0.074214983,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Nd +mp-1211978,K2Na2NdF7,-5.3608465292,-3.4429841387,0.0180852267,0.0180852267,GGA,Im-3m,A7B2C2D_cI144_229_egk_h_cf_e:F-K-Na-Nd,72.0,A7B2C2D_cI144_229_egk_h_cf_e:F-K-Na-Nd +mp-1186829,Rb2Np2O5,-8.6882761267,-2.8449348974,0.0727757075,0.0727757075,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Np-O-Rb,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Np-O-Rb, expected Rb2Np2O9 to be Rb2Np2O5" +mp-676368,Rb4N2O7,-5.4276955877,-1.1798535016,0.1757549777,0.1757549777,GGA,P1,A2B7C4_aP13_1_2a_7a_4a:N-O-Rb,13.0,A2B7C4_aP13_1_2a_7a_4a:N-O-Rb +mp-1173344,Rb4N2O7,-4.9830950254,-0.7352529393,0.62035554,0.62035554,GGA,P1,A2B7C4_aP13_1_2a_7a_4a:N-O-Rb,13.0,A2B7C4_aP13_1_2a_7a_4a:N-O-Rb +mp-975288,RbNpO3,-8.831984582,-3.0783086045,0.012339059,0.012339059,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Np-O-Rb,5.0,AB3C_cP5_221_b_c_a:Np-O-Rb +mp-752580,RbNO2,-6.0598589833,-1.2572573783,0.0116574703,0.0116574703,GGA,P3_121,AB2C_hP12_152_a_c_b:N-O-Rb,12.0,AB2C_hP12_152_a_c_b:N-O-Rb +mp-974591,Rb4NO,-3.10151541,-0.233962089,0.4487693853,0.4487693853,GGA,P4/mmm,ABC4_tP6_123_a_d_i:N-O-Rb,6.0,ABC4_tP6_123_a_d_i:N-O-Rb +mp-1211282,Rb2NO4,-3.370722695,0.9270370071,2.2953692679,2.2953692679,GGA,Pmma,AB4C2_oP14_51_a_2i_i:N-O-Rb,14.0,AB4C2_oP14_51_a_2i_i:N-O-Rb +mp-1203120,NpN4O11,-7.29241598,-0.9982075297,0.2779061174,0.2779061174,GGA,R-3c,A4BC11_hR96_167_be_a_cef:N-Np-O,32.0,A4BC11_hR96_167_be_a_cef:N-Np-O +mp-13658,RbNO3,-6.236083325,-1.4046642988,0.017548983,-0.388842928,GGA,Pmmn,AB3C_oP10_59_a_ae_b:N-O-Rb,10.0,"Invalid WP multiplicities - AB3C_oP10_59_a_a2e_b:N-O-Rb, expected RbNO5 to be RbNO3" +mp-614951,RbNO3,-6.2141865749,-1.3827675486,0.0394457331,-0.3669461779,GGA,P3_2,AB3C_hP45_145_3a_9a_3a:N-O-Rb,45.0,"Invalid WP multiplicities - AB3C_hP45_145_8a_23a_5a:N-O-Rb, expected Rb5N8O23 to be RbNO3" +mp-752446,RbNO3,-6.232598406,-1.4011793798,0.021033902,-0.385358009,GGA,R32,AB3C_hR15_155_a_d_b:N-O-Rb,5.0,AB3C_hR15_155_a_d_b:N-O-Rb +mp-1219584,RbNO3,-6.253632308,-1.4222132818,0.0,-0.406391911,GGA,R3m,AB3C_hR15_160_a_b_a:N-O-Rb,5.0,AB3C_hR15_160_a_b_a:N-O-Rb +mp-38220,RbNO3,-6.230497723,-1.3990786967,0.023134585,-0.383257326,GGA,R-3c,AB3C_hR30_167_a_e_b:N-O-Rb,10.0,AB3C_hR30_167_a_e_b:N-O-Rb +mp-1025179,Rb2NpO4,-7.8279888829,-2.8714742155,0.0,-0.3202167243,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Np-O-Rb,7.0,AB4C2_tI14_139_a_ce_e:Np-O-Rb +mp-1203025,Np2N3,-11.5598048752,-1.3787960477,0.0,-0.1446440633,GGA,Ia-3,A3B2_cI80_206_e_ad:N-Np,40.0,A3B2_cI80_206_e_ad:N-Np +mp-864918,NpN2,-10.94334031,-1.0697504663,0.1242469467,0.0792462402,GGA,P4_2/mnm,A2B_tP6_136_f_a:N-Np,6.0,A2B_tP6_136_f_a:N-Np +mp-1008833,NpN2,-11.0675872567,-1.1939974129,0.0,-0.0450007065,GGA,Fm-3m,A2B_cF12_225_c_a:N-Np,3.0,A2B_cF12_225_c_a:N-Np +mp-676229,Rb5NO5,-4.4740068427,-1.0219514933,0.2428322555,0.2428322555,GGA,P1,AB5C5_aP11_1_a_5a_5a:N-O-Rb,11.0,AB5C5_aP11_1_a_5a_5a:N-O-Rb +mp-1173458,Rb5NO5,-4.5538956718,-1.1018403224,0.1629434264,0.1629434264,GGA,P1,AB5C5_aP11_1_a_5a_5a:N-O-Rb,11.0,AB5C5_aP11_1_a_5a_5a:N-O-Rb +mp-677516,Rb5NO5,-3.9953278173,-0.5432724678,0.7215112809,0.7215112809,GGA,Pm,AB5C5_mP11_6_a_3ac_b2c:N-O-Rb,11.0,"Invalid WP multiplicities - AB5C5_mP11_6_a_3ac_b3c:N-O-Rb, expected Rb7NO5 to be Rb5NO5" +mp-1173446,Rb5NO5,-4.0541123864,-0.6020570369,0.6627267118,0.6627267118,GGA,Pm,AB5C5_mP11_6_a_3ac_b2c:N-O-Rb,11.0,"Invalid WP multiplicities - AB5C5_mP11_6_a_3ac_b3c:N-O-Rb, expected Rb7NO5 to be Rb5NO5" +mp-674708,Rb4N4O3,-4.7163693955,0.0207380703,0.941247389,0.941247389,GGA,P1,A4B3C4_aP11_1_4a_3a_4a:N-O-Rb,11.0,A4B3C4_aP11_1_4a_3a_4a:N-O-Rb +mp-1209750,Rb3NpO9,-6.1493936162,-1.5025028238,0.268239098,0.268239098,GGA,C2/c,AB9C3_mC52_15_c_e4f_ef:Np-O-Rb,26.0,AB9C3_mC52_15_c_e4f_ef:Np-O-Rb +mp-1237850,Rb3NpO9,-6.1799287446,-1.5330379523,0.2377039695,0.2377039695,GGA,C2/c,AB9C3_mC52_15_c_e4f_ef:Np-O-Rb,26.0,AB9C3_mC52_15_c_e4f_ef:Np-O-Rb +mp-1020625,Rb8N3O,-2.9545651008,0.1954720714,0.6345368555,0.6345368555,GGA,Pm-3m,A3BC8_cP12_221_c_a_g:N-O-Rb,12.0,A3BC8_cP12_221_c_a_g:N-O-Rb +mp-16907,RbNpN3O11,-7.4673933131,-1.6329324161,0.0,-0.1576408252,GGA,R-3c,A3BC11D_hR96_167_e_a_cef_b:N-Np-O-Rb,32.0,"Invalid WP multiplicities - A3BC11D_hR96_167_e_a_c2e3f_b:N-Np-O-Rb, expected RbNpN3O26 to be RbNpN3O11" +mp-1020591,Rb8NO3,-3.2570114725,-0.6719420026,0.2362199701,0.2362199701,GGA,Pm-3m,AB3C8_cP12_221_a_c_g:N-O-Rb,12.0,AB3C8_cP12_221_a_c_g:N-O-Rb +mp-1180449,NpNO5,-8.54532967,-1.9713699325,0.0620104942,0.0620104942,GGA,P2_1,ABC5_mP28_4_2a_2a_10a:N-Np-O,28.0,ABC5_mP28_4_2a_2a_10a:N-Np-O +mp-1009494,NpN,-11.707261045,-1.0651237419,0.2292601,0.0838729646,GGA,F-43m,AB_cF8_216_a_c:N-Np,2.0,AB_cF8_216_a_c:N-Np +mp-1009493,NpN,-11.30234326,-0.6602059569000001,0.634177885,0.4887907496,GGA,Pm-3m,AB_cP2_221_a_b:N-Np,2.0,AB_cP2_221_a_b:N-Np +mp-2596,NpN,-11.936521145,-1.2943838419,0.0,-0.1453871354,GGA,Fm-3m,AB_cF8_225_a_b:N-Np,2.0,AB_cF8_225_a_b:N-Np +mp-7264,Nd(PO3)3,-8.0294354654,-2.988800592,0.0,-0.019544081,GGA,C222_1,AB9C3_oC52_20_a_b4c_ac:Nd-O-P,26.0,AB9C3_oC52_20_a_b4c_ac:Nd-O-P +mp-4736,NdP5O14,-7.8791159845,-2.8247008883,2.12555e-05,-0.0280614503,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:Nd-O-P,80.0,"Invalid WP multiplicities - AB14C5_mP80_14_e_17e_5e:Nd-O-P, expected NdP5O17 to be NdP5O14" +mp-560681,NdP5O14,-7.87913724,-2.8247221438,0.0,-0.0280827058,GGA,Pmna,AB14C5_oP80_53_h_2h6i_efhi:Nd-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_53_h_6h45i_3e4f4h5i:Nd-O-P, expected Nd(P7O32)3 to be NdP5O14" +mp-17605,CsNd(PO3)4,-7.7397090242,-2.9243187816,0.0039632264,-0.0219364432,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cs-Nd-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:Cs-Nd-O-P +mp-1226879,CsNd(PO3)4,-7.743672250599999,-2.928282008,0.0,-0.0258996696,GGA,Cc,ABC12D4_mC216_9_3a_3a_36a_12a:Cs-Nd-O-P,108.0,"Invalid WP multiplicities - ABC12D4_mC216_9_6a_4a_72a_24a:Cs-Nd-O-P, expected Cs3Nd2(PO3)12 to be CsNd(PO3)4" +mp-561886,CsNd(PO3)4,-7.7332146711,-2.9178244285,0.0104575794,-0.0154420901,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cs-Nd-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Cs-Nd-O-P, expected CsNdP13O45 to be CsNd(PO3)4" +mp-3584,NdPO4,-8.4457385325,-3.4510377351,0.0,-0.1678347892,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Nd-O-P,24.0,AB4C_mP24_14_e_4e_e:Nd-O-P +mp-1103387,NdPO4,-8.4435786725,-3.4488778751,0.00215986,-0.1656749292,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Nd-O-P,12.0,AB4C_tI24_141_a_h_b:Nd-O-P +mp-14190,NdPO4,-8.44419684,-3.4494960426,0.0015416925,-0.1662930967,GGA,P6_222,AB4C_hP18_180_c_k_d:Nd-O-P,18.0,AB4C_hP18_180_c_k_d:Nd-O-P +mp-1210882,Nd(PO5)2,-6.8915466469,-1.8868051424,0.4039884771,0.4039884771,GGA,Pnna,AB10C2_oP52_52_d_5e_e:Nd-O-P,52.0,AB10C2_oP52_52_d_5e_e:Nd-O-P +mp-1203311,Nd3PO7,-8.5715480717,-3.6311330005,0.0,-0.0295166369,GGA,Cm,A3B7C_mC132_8_9b_12a15b_6a:Nd-O-P,66.0,A3B7C_mC132_8_9b_12a15b_6a:Nd-O-P +mp-29094,Nd3PO7,-8.5713189415,-3.6309038703,0.0002291302,-0.0292875067,GGA,C2/m,A3B7C_mC132_12_g4j_h6i7j_3i:Nd-O-P,66.0,"Invalid WP multiplicities - A3B7C_mC132_12_g6j_h12i13j_5i:Nd-O-P, expected Nd13P5O39 to be Nd3PO7" +mp-504922,UPbO4,-8.7669576375,-2.9684889833,0.0,-0.0172413094,GGA,Pbcm,A4BC_oP24_57_cde_d_a:O-Pb-U,24.0,A4BC_oP24_57_cde_d_a:O-Pb-U +mp-1189016,MgU(PbO3)2,-7.660894965,-2.6611833182,0.0378576627,0.0378576627,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mg-O-Pb-U,20.0,AB6C2D_mP20_14_a_3e_e_d:Mg-O-Pb-U +mp-1203291,U5(PbO11)2,-8.4224599467,-2.4669600903,0.2939241182,0.2939241182,GGA,P2_1/c,A22B2C5_mP58_14_11e_e_a2e:O-Pb-U,58.0,A22B2C5_mP58_14_11e_e_a2e:O-Pb-U +mp-1198411,U11(PbO12)3,-9.6644327499,-3.3959478514,0.0,-0.0148863556,GGA,Pmmn,A36B3C11_oP100_59_ab10ef3g_ae_b5e:O-Pb-U,100.0,A36B3C11_oP100_59_ab10ef3g_ae_b5e:O-Pb-U +mp-650598,U(PbO2)3,-7.6063208009,-2.3953724521,0.0,-0.0263940106,GGA,Pnma,A6B3C_oP80_62_4c4d_4cd_d:O-Pb-U,80.0,"Invalid WP multiplicities - A6B3C_oP80_62_16c30d_14c6d_d:O-Pb-U, expected UPb13O38 to be U(PbO2)3" +mp-3575,Ca3(BO3)2,-7.748484285,-3.2888737896,0.0,-0.0339023018,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-Ca-O,22.0,A2B3C6_hR66_167_c_e_f:B-Ca-O +mp-1204348,Ca(B2O5)3,-6.9909136294,-1.7053553943000002,0.5909351473000001,0.5909351473000001,GGA,P2_1/c,A6BC15_mP88_14_6e_e_15e:B-Ca-O,88.0,A6BC15_mP88_14_6e_e_15e:B-Ca-O +mp-1084760,CaBO3,-7.523356677,-2.8183451201,0.1007924086,0.1007924086,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:B-Ca-O,10.0,ABC3_mP10_11_e_e_ef:B-Ca-O +mp-1189809,CaBO3,-7.521660023,-2.8166484661,0.1024890626,0.1024890626,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:B-Ca-O,20.0,ABC3_mP20_14_e_e_3e:B-Ca-O +mp-984628,CaBO3,-6.72671534,-2.0217037831,0.8974337456,0.8974337456,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ca-O,5.0,ABC3_cP5_221_b_a_c:B-Ca-O +mp-554056,Ca2B5BrO9,-7.9236783121,-3.0130085859,0.0,-0.0137824747,GGA,Pnn2,A5BC2D9_oP68_34_5c_ab_2c_9c:B-Br-Ca-O,68.0,"Invalid WP multiplicities - A5BC2D9_oP68_34_13c_ab_5c_34c:B-Br-Ca-O, expected Ca5B13BrO34 to be Ca2B5BrO9" +mp-1182657,CaB3O10,-6.7219686139,-1.6140641636000002,0.4675491233,0.4675491233,GGA,P-1,A3BC10_aP28_2_3i_i_10i:B-Ca-O,28.0,A3BC10_aP28_2_3i_i_10i:B-Ca-O +mp-1193198,CaB3O10,-6.4605876821,-1.3526832318,0.7289300551,0.7289300551,GGA,P-1,A3BC10_aP28_2_3i_i_10i:B-Ca-O,28.0,A3BC10_aP28_2_3i_i_10i:B-Ca-O +mp-1193273,CaB3O10,-6.5830720793,-1.4751676289,0.606445658,0.606445658,GGA,P-1,A3BC10_aP28_2_3i_i_10i:B-Ca-O,28.0,A3BC10_aP28_2_3i_i_10i:B-Ca-O +mp-1194025,CaB3O10,-6.6745633096,-1.5666588593,0.5149544276,0.5149544276,GGA,P-1,A3BC10_aP28_2_3i_i_10i:B-Ca-O,28.0,A3BC10_aP28_2_3i_i_10i:B-Ca-O +mp-1200311,Ca(BO3)2,-7.0946496787,-2.0897034911,0.344218599,0.344218599,GGA,P2_1/c,A2BC6_mP72_14_4e_2e_12e:B-Ca-O,72.0,A2BC6_mP72_14_4e_2e_12e:B-Ca-O +mp-1105926,Ca(BO3)2,-7.1159986017,-2.111052414,0.3228696761,0.3228696761,GGA,C2/c,A2BC6_mC36_15_f_e_3f:B-Ca-O,18.0,A2BC6_mC36_15_f_e_3f:B-Ca-O +mp-1182261,CaB3O8,-6.9904614523,-1.8556877121,0.5728611227,0.5728611227,GGA,P2_1/c,A3BC8_mP48_14_3e_e_8e:B-Ca-O,48.0,A3BC8_mP48_14_3e_e_8e:B-Ca-O +mp-1197422,CaB3O8,-7.0417476202,-1.90697388,0.5215749547,0.5215749547,GGA,P2_1/c,A3BC8_mP48_14_3e_e_8e:B-Ca-O,48.0,A3BC8_mP48_14_3e_e_8e:B-Ca-O +mp-1019559,Ca2B2O5,-7.9215195803,-3.2433610405,0.0001251025,-0.0165326796,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Ca-O,36.0,A2B2C5_mP36_14_2e_2e_5e:B-Ca-O +mp-3859,Ca2B2O5,-7.9152880394,-3.2371294997,0.0063566433,-0.0103011388,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Ca-O,36.0,A2B2C5_mP36_14_2e_2e_5e:B-Ca-O +mp-1019560,Ca2B2O5,-7.9216446828,-3.243486143,0.0,-0.0166577821,GGA,P2_12_12_1,A2B2C5_oP36_19_2a_2a_5a:B-Ca-O,36.0,A2B2C5_oP36_19_2a_2a_5a:B-Ca-O +mp-1202231,Ca2B5O13,-7.3385149401,-2.2527593471,0.2996348943,0.2996348943,GGA,P2_1/c,A5B2C13_mP80_14_5e_2e_13e:B-Ca-O,80.0,A5B2C13_mP80_14_5e_2e_13e:B-Ca-O +mp-1182308,CaB2O9,-6.1303419033,-1.1399600848,0.6854814828,0.6854814828,GGA,P-1,A2BC9_aP24_2_2i_i_9i:B-Ca-O,24.0,A2BC9_aP24_2_2i_i_9i:B-Ca-O +mp-1199947,Ca(BO2)3,-8.0007540347,-2.8283632887,0.0858953129,0.0858953129,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:B-Ca-O,40.0,A3BC6_mP40_14_3e_e_6e:B-Ca-O +mp-729083,Ca(BO2)3,-8.0113122802,-2.8389215343,0.0753370674,0.0753370674,GGA,Pna2_1,A3BC6_oP40_33_3a_a_6a:B-Ca-O,40.0,A3BC6_oP40_33_3a_a_6a:B-Ca-O +mp-1214604,Ca3(B3O10)2,-6.6839304302,-1.6830019995,0.5830633947,0.5830633947,GGA,C2/c,A6B3C20_mC116_15_3f_ef_10f:B-Ca-O,58.0,A6B3C20_mC116_15_3f_ef_10f:B-Ca-O +mp-556826,Ca(BO2)2,-8.1340273129,-3.1124361319,0.0168922696,0.0117262724,GGA,Pna2_1,A2BC4_oP84_33_6a_3a_12a:B-Ca-O,84.0,"Invalid WP multiplicities - A2BC4_oP84_33_17a_10a_43a:B-Ca-O, expected Ca10B17O43 to be Ca(BO2)2" +mp-8056,Ca(BO2)2,-8.1509195825,-3.1293284015,0.0,-0.0051659972,GGA,Pccn,A2BC4_oP56_56_2e_e_4e:B-Ca-O,56.0,A2BC4_oP56_56_2e_e_4e:B-Ca-O +mp-3417,Ca(BO2)2,-8.1375932754,-3.1160020944,0.0133263071,0.0081603099,GGA,Pbcn,A2BC4_oP28_60_d_c_2d:B-Ca-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_60_d_c_3d:B-Ca-O, expected Ca(BO3)2 to be Ca(BO2)2" +mp-13827,Ca(BO2)2,-8.1100573148,-3.0884661338,0.0408622677,0.0356962705,GGA,Pa-3,A2BC4_cP84_205_d_ac_2d:B-Ca-O,84.0,"Invalid WP multiplicities - A2BC4_cP84_205_d_ac_3d:B-Ca-O, expected Ca(BO3)2 to be Ca(BO2)2" +mp-556214,CaB4O7,-8.3052885297,-3.0261228678,0.0,-0.003801647,GGA,P2_1/c,A4BC7_mP96_14_8e_2e_14e:B-Ca-O,96.0,"Invalid WP multiplicities - A4BC7_mP96_14_26e_6e_55e:B-Ca-O, expected Ca6B26O55 to be CaB4O7" +mp-11000,CaB4O7,-8.2745709704,-2.9954053086,0.0307175593,0.0269159122,GGA,Pmn2_1,A4BC7_oP24_31_2b_a_a3b:B-Ca-O,24.0,"Invalid WP multiplicities - A4BC7_oP24_31_3b_a_a5b:B-Ca-O, expected CaB6O11 to be CaB4O7" +mp-1182764,Ca(BO5)2,-6.1063578577,-1.1193370474,0.5656859381,0.5656859381,GGA,P2/c,A2BC10_mP26_13_g_e_5g:B-Ca-O,26.0,A2BC10_mP26_13_g_e_5g:B-Ca-O +mp-1192801,Ca(BO5)2,-5.9688175554,-0.9817967451,0.7032262404,0.7032262404,GGA,P2/c,A2BC10_mP26_13_g_e_5g:B-Ca-O,26.0,A2BC10_mP26_13_g_e_5g:B-Ca-O +mp-1192983,Ca(BO5)2,-6.4013701685,-1.4143493581,0.2706736273,0.2706736273,GGA,P2/c,A2BC10_mP26_13_g_e_5g:B-Ca-O,26.0,A2BC10_mP26_13_g_e_5g:B-Ca-O +mp-1237269,Ca(BO5)2,-6.3321207127,-1.3450999024,0.3399230831,0.3399230831,GGA,P2/c,A2BC10_mP26_13_g_e_5g:B-Ca-O,26.0,A2BC10_mP26_13_g_e_5g:B-Ca-O +mp-1182309,Ca(BO5)2,-6.3207123908,-1.3336915804,0.351331405,0.351331405,GGA,C2/c,A2BC10_mC52_15_f_e_5f:B-Ca-O,26.0,A2BC10_mC52_15_f_e_5f:B-Ca-O +mp-1193779,Ca(BO5)2,-5.8942930492,-0.9072722389,0.7777507465,0.7777507465,GGA,C2/c,A2BC10_mC52_15_f_e_5f:B-Ca-O,26.0,A2BC10_mC52_15_f_e_5f:B-Ca-O +mp-731849,Ca(BO5)2,-6.066169345,-1.0791485347,0.6058744508,0.6058744508,GGA,C2/c,A2BC10_mC52_15_f_e_5f:B-Ca-O,26.0,A2BC10_mC52_15_f_e_5f:B-Ca-O +mp-1200314,CaB8O15,-7.9233128288,-2.5216017989,0.1664186322,0.1664186322,GGA,P2_1,A8BC15_mP48_4_8a_a_15a:B-Ca-O,48.0,A8BC15_mP48_4_8a_a_15a:B-Ca-O +mp-1181911,Ca(BO4)2,-6.4210875186,-1.4267335994,0.5646572016,0.5646572016,GGA,P-1,A2BC8_aP22_2_2i_i_8i:B-Ca-O,22.0,A2BC8_aP22_2_2i_i_8i:B-Ca-O +mp-1198121,Ca(BO4)2,-6.1787388111,-1.1843848919,0.8070059091,0.8070059091,GGA,Pban,A2BC8_oP44_50_m_g_4m:B-Ca-O,44.0,A2BC8_oP44_50_m_g_4m:B-Ca-O +mp-1214238,Ca2B8O15,-8.1056966156,-2.8398300318,0.0652479214,0.0652479214,GGA,P-1,A8B2C15_aP50_2_8i_2i_15i:B-Ca-O,50.0,A8B2C15_aP50_2_8i_2i_15i:B-Ca-O +mp-1352620,Ca2B8O15,-4.4230014284,0.8428651554000001,3.7479431086,3.7479431086,GGA,P-1,A8B2C15_aP50_2_8i_2i_15i:B-Ca-O,50.0,A8B2C15_aP50_2_8i_2i_15i:B-Ca-O +mp-558358,Ca(B3O5)2,-8.3568958549,-2.9716701126,0.0,-0.0124011217,GGA,P2_1/c,A6BC10_mP68_14_6e_e_10e:B-Ca-O,68.0,"Invalid WP multiplicities - A6BC10_mP68_14_23e_e_36e:B-Ca-O, expected CaB23O36 to be Ca(B3O5)2" +mp-1193777,Ca(BO3)3,-6.8356442431,-1.715338582,0.5263988039,0.5263988039,GGA,P-1,A3BC9_aP26_2_3i_i_9i:B-Ca-O,26.0,A3BC9_aP26_2_3i_i_9i:B-Ca-O +mp-1197224,Ca2(BO2)11,-7.6650230126,-2.3418327015,0.3420051579,0.3420051579,GGA,P1,A11B2C22_aP35_1_11a_2a_22a:B-Ca-O,35.0,A11B2C22_aP35_1_11a_2a_22a:B-Ca-O +mp-27657,Ca2B6O11,-8.251910433799999,-3.0676406334,0.0,-0.0034946741,GGA,P2_1/c,A6B2C11_mP76_14_6e_2e_11e:B-Ca-O,76.0,"Invalid WP multiplicities - A6B2C11_mP76_14_7e_2e_17e:B-Ca-O, expected Ca2B7O17 to be Ca2B6O11" +mp-1182573,Ca(BO4)3,-6.2790187047,-1.1912662217,0.6301454043,0.6301454043,GGA,P2_1/c,A3BC12_mP64_14_3e_e_12e:B-Ca-O,64.0,A3BC12_mP64_14_3e_e_12e:B-Ca-O +mp-1204932,Ca(BO4)3,-6.4267872088,-1.3390347258,0.4823769003,0.4823769003,GGA,P2_1/c,A3BC12_mP64_14_3e_e_12e:B-Ca-O,64.0,A3BC12_mP64_14_3e_e_12e:B-Ca-O +mp-1196972,KAgPSe3,-4.0327978886,-0.7254659069,0.0,-0.027204299,GGA,P2_1/c,ABCD3_mP72_14_3e_3e_3e_9e:Ag-K-P-Se,72.0,ABCD3_mP72_14_3e_3e_3e_9e:Ag-K-P-Se +mp-9778,K2AgP,-2.9610139612,-0.3443498602,0.0,-0.1207568656,GGA,Cmcm,AB2C_oC16_63_a_g_c:Ag-K-P,8.0,AB2C_oC16_63_a_g_c:Ag-K-P +mp-1194017,ThPO5,-8.5347709646,-3.1689703485,0.1354924801,0.1354924801,GGA,Cmce,A5BC_oC56_64_3fg_f_f:O-P-Th,28.0,A5BC_oC56_64_3fg_f_f:O-P-Th +mp-3928,Na5P3O10,-6.6392758972,-2.6215302806,0.0,-0.0024433514,GGA,C2/c,A5B10C3_mC72_15_c2f_5f_ef:Na-O-P,36.0,"Invalid WP multiplicities - A5B10C3_mC72_15_a4f_8f_ef:Na-O-P, expected Na9P3O16 to be Na5P3O10" +mp-557529,Na5P3O10,-6.6347509828,-2.6170053661,0.0045249144,0.0020815631,GGA,C2/c,A5B10C3_mC72_15_c2f_5f_ef:Na-O-P,36.0,"Invalid WP multiplicities - A5B10C3_mC72_15_2a6f_16f_e2f:Na-O-P, expected Na14P5O32 to be Na5P3O10" +mp-735132,Na2P2O7,-6.6556525064,-2.2830637265,0.1185234342,0.1185234342,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Na-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:Na-O-P +mp-5156,ThP2O7,-8.5665067107,-3.2797782865,0.0,-0.0214039602,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Th,40.0,"Invalid WP multiplicities - A7B2C_cP40_205_a2d_c_b:O-P-Th, expected ThP2O13 to be ThP2O7" +mp-1101137,Th4P5O23,-8.0809710225,-2.7529777134,0.4433648746,0.4433648746,GGA,P1,A23B5C4_aP32_1_23a_5a_4a:O-P-Th,32.0,A23B5C4_aP32_1_23a_5a_4a:O-P-Th +mp-1195509,Th(PO3)4,-8.1944166296,-2.9928088171,0.0,-0.0589168212,GGA,P-1,A12B4C_aP68_2_24i_8i_2i:O-P-Th,68.0,A12B4C_aP68_2_24i_8i_2i:O-P-Th +mp-1196497,Th(PO3)4,-7.9451069828,-2.7434991703,0.2493096468,0.1903928256,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-Th,68.0,A12B4C_mP68_14_12e_4e_e:O-P-Th +mp-1202718,Th(PO3)4,-7.8483902471,-2.6467824346,0.3460263825,0.2871095613,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Th,34.0,A12B4C_mC68_15_6f_2f_e:O-P-Th +mp-1101130,Th4P6O23,-8.7244676538,-3.3938892175,0.0012915833,-0.0042514802,GGA,P2_1/m,A23B6C4_mP66_11_9e7f_4ef_4e:O-P-Th,66.0,"Invalid WP multiplicities - A23B6C4_mP66_11_18e27f_8e3f_8e:O-P-Th, expected Th4P7O36 to be Th4P6O23" +mp-757224,Th4P6O23,-8.7257592371,-3.3951808008,0.0,-0.0055430635,GGA,Pmc2_1,A23B6C4_oP66_26_4a5b7c_2a2bc_2a2b:O-P-Th,66.0,A23B6C4_oP66_26_10a8b14c_4a4b2c_4a4b:O-P-Th +mp-1180166,NaPO4,-6.0985363033,-1.6781058625,0.5233490348000001,0.5233490348000001,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Na-O-P,24.0,AB4C_aP24_2_2i_8i_2i:Na-O-P +mp-1202449,NaPO4,-6.3447978783,-1.9243674375,0.2770874598,0.2770874598,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Na-O-P,48.0,AB4C_mP48_14_2e_8e_2e:Na-O-P +mp-1210231,NaPO4,-6.3972005502,-1.9767701094,0.2246847879,0.2246847879,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Na-O-P,48.0,AB4C_mP48_14_2e_8e_2e:Na-O-P +mp-1180363,NaPO4,-6.2404514586,-1.8200210178,0.3814338795,0.3814338795,GGA,Cmce,AB4C_oC144_64_fg_ef5g_dg:Na-O-P,72.0,AB4C_oC144_64_fg_ef5g_dg:Na-O-P +mp-1182739,Na3PO12,-5.0801375428,-0.7838161102000001,0.4792421719,0.4792421719,GGA,P-1,A3B12C_aP64_2_6i_24i_2i:Na-O-P,64.0,A3B12C_aP64_2_6i_24i_2i:Na-O-P +mp-1197992,Na3PO12,-5.1479438034000005,-0.8516223708,0.4114359112,0.4114359112,GGA,P-1,A3B12C_aP64_2_6i_24i_2i:Na-O-P,64.0,A3B12C_aP64_2_6i_24i_2i:Na-O-P +mp-1077413,NaPO,-4.7203786183,-0.8262064479000001,0.9428119077,0.9428119077,GGA,Imma,ABC_oI12_74_a_e_c:Na-O-P,6.0,ABC_oI12_74_a_e_c:Na-O-P +mp-1180136,NaPO,-4.4512237967,-0.5570516262,1.2119667294,1.2119667294,GGA,Imma,ABC_oI12_74_a_e_c:Na-O-P,6.0,ABC_oI12_74_a_e_c:Na-O-P +mp-1205222,Na4P2O17,-4.9967054652,-0.6397309314,0.8356966922,0.8356966922,GGA,C2/c,A4B17C2_mC92_15_2f_e8f_f:Na-O-P,46.0,A4B17C2_mC92_15_2f_e8f_f:Na-O-P +mp-27579,Na4P2O7,-6.5137201929,-2.6103719494,0.0,-0.0181997354,GGA,P2_12_12_1,A4B7C2_oP52_19_4a_7a_2a:Na-O-P,52.0,A4B7C2_oP52_19_4a_7a_2a:Na-O-P +mp-1220958,NaTh2(PO4)3,-8.4356661392,-3.3384209254,0.0,-0.0201189763,GGA,Cc,AB12C3D2_mC72_9_a_12a_3a_2a:Na-O-P-Th,36.0,AB12C3D2_mC72_9_a_12a_3a_2a:Na-O-P-Th +mp-1210121,NaTh2(PO4)3,-8.4291061431,-3.3318609293,0.0065599961,-0.0135589802,GGA,C2/c,AB12C3D2_mC72_15_e_6f_ef_f:Na-O-P-Th,36.0,AB12C3D2_mC72_15_e_6f_ef_f:Na-O-P-Th +mp-1200484,Na3(PO4)2,-6.3096031038,-2.1274730589,0.1954605731,0.1954605731,GGA,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:Na-O-P,52.0,A3B8C2_mP52_14_3e_8e_2e:Na-O-P +mp-556017,Th2P2O9,-8.9566922704,-3.558652277,0.0,-0.0137087733,GGA,Cmce,A9B2C2_oC52_64_a2fg_f_f:O-P-Th,26.0,"Invalid WP multiplicities - A9B2C2_oC52_64_2a8f6g_f_f:O-P-Th, expected ThPO21 to be Th2P2O9" +mp-558272,Na3ThP3O11,-7.5366649242,-2.9791695089,0.000806094,0.000806094,GGA,P-1,A3B11C3D_aP36_2_3i_11i_3i_i:Na-O-P-Th,36.0,"Invalid WP multiplicities - A3B11C3D_aP36_2_4i_21i_5i_i:Na-O-P-Th, expected Na4ThP5O21 to be Na3ThP3O11" +mp-1020638,Na8PO3,-3.5645950617,-0.9951308127,0.2955770989,0.2955770989,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:Na-O-P,12.0,A8B3C_cP12_221_g_c_a:Na-O-P +mp-1197951,Na3P3O10,-6.7020882869000005,-2.3474401298,0.1291966296,0.1291966296,GGA,Pnma,A3B10C3_oP64_62_cd_4c3d_cd:Na-O-P,64.0,A3B10C3_oP64_62_cd_4c3d_cd:Na-O-P +mp-864891,NaPO3,-6.9549444557,-2.6397656689,0.0019802078,-0.0691286243,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Na-O-P,30.0,AB3C_aP30_2_3i_9i_3i:Na-O-P +mp-4734,NaPO3,-6.9490528945,-2.6338741077,0.007871769,-0.0632370631,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Na-O-P,40.0,AB3C_mP40_14_2e_6e_2e:Na-O-P +mp-558192,NaPO3,-6.9516073888,-2.636428602,0.0053172748,-0.0657915574,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Na-O-P,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_21e_4e:Na-O-P, expected Na5P4O21 to be NaPO3" +mp-555118,NaPO3,-6.9569246635,-2.6417458767,0.0,-0.0711088321,GGA,Pnma,AB3C_oP60_62_cd_3c3d_cd:Na-O-P,60.0,"Invalid WP multiplicities - AB3C_oP60_62_3c4d_11c21d_3c4d:Na-O-P, expected Na11P11O53 to be NaPO3" +mp-648053,NaPO3,-6.926645526,-2.6114667392,0.0302791375,-0.0408296946,GGA,I4_1/a,AB3C_tI80_88_f_3f_f:Na-O-P,40.0,"Invalid WP multiplicities - AB3C_tI80_88_f_16f_f:Na-O-P, expected NaPO16 to be NaPO3" +mp-648072,NaPO3,-6.9066649305,-2.5914861437,0.050259733,-0.0208490991,GGA,I4_1/a,AB3C_tI80_88_f_3f_f:Na-O-P,40.0,"Invalid WP multiplicities - AB3C_tI80_88_f_16f_f:Na-O-P, expected NaPO16 to be NaPO3" +mp-674333,Na3PO4,-6.1720707181,-2.5261165641,0.0,-0.1353843977,GGA,Pm,A3B4C_mP16_6_ab2c_2a2b2c_ab:Na-O-P,16.0,"Invalid WP multiplicities - A3B4C_mP16_6_ab3c_2a2b2c_ab:Na-O-P, expected Na4PO4 to be Na3PO4" +mp-1173671,Na3PO4,-6.17054363,-2.524589476,0.0015270881,-0.1338573095,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Na-O-P,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_2a2b_4a2b_a:Na-O-P, expected Na6PO8 to be Na3PO4" +mp-4223,Na3PO4,-6.167049567,-2.5210954130000003,0.0050211511,-0.1303632466,GGA,P-42_1c,A3B4C_tP64_114_abd2e_4e_e:Na-O-P,64.0,"Invalid WP multiplicities - A3B4C_tP64_114_ab2d3e_6e_e:Na-O-P, expected Na9(PO6)2 to be Na3PO4" +mp-1101638,Na3PO4,-5.5627674925,-1.9168133385,0.6093032256,0.473918828,GGA,P4_2/mnm,A3B4C_tP16_136_ad_ef_b:Na-O-P,16.0,"Invalid WP multiplicities - A3B4C_tP16_136_2a2d_2e3f_b:Na-O-P, expected Na6PO10 to be Na3PO4" +mp-1221205,Na3PO4,-5.6088244187,-1.9628702647,0.5632462994,0.4278619017,GGA,I4/mmm,A3B4C_tI16_139_ad_h_b:Na-O-P,8.0,A3B4C_tI16_139_ad_h_b:Na-O-P +mp-1210814,NaPO6,-5.5064195009,-0.9544244925,0.6966666805,0.6966666805,GGA,C2/c,AB6C_mC64_15_f_6f_f:Na-O-P,32.0,AB6C_mC64_15_f_6f_f:Na-O-P +mp-734797,Na3(PO3)4,-6.9723081491,-2.4996212837,0.035398647,0.035398647,GGA,P2_1/c,A3B12C4_mP76_14_3e_12e_4e:Na-O-P,76.0,A3B12C4_mP76_14_3e_12e_4e:Na-O-P +mp-1196694,ThP2O9,-7.4559295318,-2.2258743931,0.5072741791000001,0.5072741791000001,GGA,Pbca,A9B2C_oP96_61_9c_2c_c:O-P-Th,96.0,A9B2C_oP96_61_9c_2c_c:O-P-Th +mp-1211181,Na2P2O13,-5.7564361094,-1.1812238243,0.3727443385,0.3727443385,GGA,C2/c,A2B13C2_mC68_15_f_e6f_f:Na-O-P,34.0,A2B13C2_mC68_15_f_e6f_f:Na-O-P +mp-582483,Na2Th(PO4)2,-7.7502764773,-3.0995823588,0.0009674221,-0.0048325265,GGA,P2_1/c,A2B8C2D_mP104_14_4e_16e_4e_2e:Na-O-P-Th,104.0,"Invalid WP multiplicities - A2B8C2D_mP104_14_11e_60e_14e_5e:Na-O-P-Th, expected Na11Th5(P7O30)2 to be Na2Th(PO4)2" +mp-555861,Na2Th(PO4)2,-7.7512438994,-3.1005497809,0.0,-0.0057999486,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_2e:Na-O-P-Th,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_6f_30f_4f_2e:Na-O-P-Th, expected Na6Th(P2O15)2 to be Na2Th(PO4)2" +mp-1202168,Th2P3O13,-8.2470279697,-2.9484403438,0.1638087236,0.1638087236,GGA,P2_1,A13B3C2_mP36_4_13a_3a_2a:O-P-Th,36.0,A13B3C2_mP36_4_13a_3a_2a:O-P-Th +mp-1104174,K4(NiO2)3,-5.2210544223,-1.262428415,0.0191087942,0.0191087942,GGA+U,C2/m,A4B3C6_mC26_12_2i_ai_hj:K-Ni-O,13.0,A4B3C6_mC26_12_2i_ai_hj:K-Ni-O +mp-27565,K3(NiO2)2,-5.1454005661,-1.2922644499,0.0,-0.0058280839,GGA+U,Cmcm,A3B2C4_oC36_63_cf_ac_h:K-Ni-O,18.0,"Invalid WP multiplicities - A3B2C4_oC36_63_cf_a2c_h:K-Ni-O, expected K3Ni3O4 to be K3(NiO2)2" +mp-541810,K2Ni12As7,-5.220588311,-0.2588613162,0.0343982242,0.0343982242,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-K-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-K-Ni +mp-505153,K3NiO2,-4.3019976254,-1.1345458015,0.0352891596,0.0352891596,GGA+U,P4_12_12,A3BC2_tP24_92_ab_a_b:K-Ni-O,24.0,A3BC2_tP24_92_ab_a_b:K-Ni-O +mp-1102898,K3NiO2,-4.3018317025,-1.1343798786,0.0354550825,0.0354550825,GGA+U,P4_2/mnm,A3BC2_tP12_136_ad_b_f:K-Ni-O,12.0,A3BC2_tP12_136_ad_b_f:K-Ni-O +mp-13749,K9Ni2O7,-4.4249459374,-1.3037967784,0.0,-0.0161021154,GGA+U,P2_13,A9B2C7_cP72_198_3a2b_2a_a2b:K-Ni-O,72.0,"Invalid WP multiplicities - A9B2C7_cP72_198_4a8b_2a_a2b:K-Ni-O, expected K28Ni2O7 to be K9Ni2O7" +mp-9673,K2NiAs2,-3.883572323,-0.4197380462,0.0,-0.0376711663,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-K-Ni,10.0,A2B2C_oC20_63_g_2c_a:As-K-Ni +mp-19252,K2NiO2,-4.888527124,-1.3096647247,0.0,-0.0499657114,GGA+U,I4/mmm,A2BC2_tI10_139_e_a_e:K-Ni-O,5.0,A2BC2_tI10_139_e_a_e:K-Ni-O +mp-559672,KNiAsO4,-6.2743074625,-1.7976776229,0.0,-0.0351340912,GGA+U,R-3,ABCD4_hR42_148_c_c_c_cf:As-K-Ni-O,28.0,ABCD4_hR42_148_c_c_c_cf:As-K-Ni-O +mp-1224183,K4Ni7(AsO4)6,-6.375371809,-1.7027427347,0.0115707899,0.0115707899,GGA+U,Cm,A6B4C7D24_mC82_8_2a2b_2ab_a3b_4a10b:As-K-Ni-O,41.0,A6B4C7D24_mC82_8_2a2b_2ab_a3b_4a10b:As-K-Ni-O +mp-560548,KNi3As3O11,-6.4801277842000005,-1.6555866716,0.0,-0.001288938,GGA+U,P2_1/c,A3BC3D11_mP72_14_3e_e_3e_11e:As-K-Ni-O,72.0,"Invalid WP multiplicities - A3BC3D11_mP72_14_11e_e_8e_41e:As-K-Ni-O, expected KNi8As11O41 to be KNi3As3O11" +mp-1204185,Ag6Te4W3O20,-6.4833380238,-1.411316069,0.0440598442,0.0440598442,GGA+U,C2/c,A6B20C4D3_mC132_15_3f_10f_2f_ef:Ag-O-Te-W,66.0,A6B20C4D3_mC132_15_3f_10f_2f_ef:Ag-O-Te-W +mp-1223812,K3ClO,-3.659546362,-1.6342619196,0.018001368,0.018001368,GGA,Pm,AB3C_mP5_6_a_a2b_b:Cl-K-O,5.0,AB3C_mP5_6_a_a2b_b:Cl-K-O +mp-673798,K3ClO,-3.670071289,-1.6447868466000002,0.007476441,0.007476441,GGA,Amm2,AB3C_oC20_38_2b_2ade_d:Cl-K-O,10.0,AB3C_oC20_38_2b_2ade_d:Cl-K-O +mp-572291,K3ClO,-3.6771526305,-1.651868188,0.0003950995,0.0003950995,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cl-K-O,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_4c4d_a:Cl-K-O, expected K12ClO to be K3ClO" +mp-23022,KClO3,-4.713488817,-1.1536884688,0.0509303469,0.0509303469,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:Cl-K-O,10.0,ABC3_mP10_11_e_e_ef:Cl-K-O +mp-556084,KClO3,-4.7135123145,-1.1537119663,0.0509068494,0.0509068494,GGA,Pnma,ABC3_oP20_62_c_c_cd:Cl-K-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_4c5d:Cl-K-O, expected KClO14 to be KClO3" +mp-550506,KClO3,-4.702425806,-1.1426254578,0.0619933579,0.0619933579,GGA,R3m,ABC3_hR15_160_a_a_b:Cl-K-O,5.0,ABC3_hR15_160_a_a_b:Cl-K-O +mp-31368,KClO2,-4.2548418175,-1.0417635601,0.3384578266,0.3384578266,GGA,Cmcm,ABC2_oC16_63_c_a_g:Cl-K-O,8.0,ABC2_oC16_63_c_a_g:Cl-K-O +mp-23526,KClO4,-4.8784988438,-1.0875504351,0.0,-0.1261237965,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cl-K-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_2c2d:Cl-K-O, expected KClO6 to be KClO4" +mp-546633,KClO4,-4.839145505,-1.0481970963,0.0393533387,-0.0867704577,GGA,F-43m,ABC4_cF24_216_a_b_e:Cl-K-O,6.0,ABC4_cF24_216_a_b_e:Cl-K-O +mp-558801,K2Pr4Cl9O2,-5.6319546097,-2.8158000052,0.0377534102,0.0377534102,GGA,P2_1/m,A9B2C2D4_mP34_11_3e3f_f_f_2ef:Cl-K-O-Pr,34.0,"Invalid WP multiplicities - A9B2C2D4_mP34_11_3e12f_f_f_2e2f:Cl-K-O-Pr, expected K2Pr6Cl27O2 to be K2Pr4Cl9O2" +mp-1211634,KPr(ClO)4,-4.457278773,-1.1500581543,0.6057197192,0.6057197192,GGA,P2_12_12,A4BC4D_oP20_18_2c_a_2c_b:Cl-K-O-Pr,20.0,A4BC4D_oP20_18_2c_a_2c_b:Cl-K-O-Pr +mp-1223433,KBiS2,-4.10103453,-0.7950875773,0.260559755,0.1408562788,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-K-S,4.0,ABC2_tP4_123_a_d_bc:Bi-K-S +mp-1223443,KBiS2,-4.361594285,-1.0556473323,0.0,-0.1197034762,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-K-S,4.0,ABC2_hR12_166_a_b_c:Bi-K-S +mp-1223584,KBi3S5,-4.5419308728,-0.8403624648,0.0,-0.002417285,GGA,Pnma,A3BC5_oP36_62_3c_c_5c:Bi-K-S,36.0,A3BC5_oP36_62_3c_c_5c:Bi-K-S +mp-866646,KGeBiS4,-4.6492350829,-0.9178471686,0.0,-0.0088514448,GGA,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Bi-Ge-K-S,28.0,ABCD4_mP28_14_e_e_e_4e:Bi-Ge-K-S +mp-1102025,PPbO4,-6.9203573258,-2.1015732556,0.1153785543,0.1153785543,GGA,P2/c,A4BC_mP12_13_2g_e_f:O-P-Pb,12.0,A4BC_mP12_13_2g_e_f:O-P-Pb +mp-1210217,P3Pb5O12,-6.9396146203,-2.23144425,0.0462507969,0.0462507969,GGA,P6_3/m,A12B3C5_hP40_176_2hi_h_fh:O-P-Pb,40.0,A12B3C5_hP40_176_2hi_h_fh:O-P-Pb +mp-22325,P2Pb2O7,-7.2256492591,-2.4184928834,0.0,-0.0155681127,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-P-Pb,44.0,A7B2C2_aP44_2_14i_4i_4i:O-P-Pb +mp-1195541,PPbO3,-6.762833337,-1.9696301949,0.310789519,0.310789519,GGA,Cmc2_1,A3BC_oC80_36_2a5b_2ab_2ab:O-P-Pb,40.0,A3BC_oC80_36_2a5b_2ab_2ab:O-P-Pb +mp-31069,P2Pb8O13,-6.5148435913,-1.9568116426,0.0044469888,0.0044469888,GGA,C2/m,A13B2C8_mC92_12_3i5j_gi_4i2j:O-P-Pb,46.0,"Invalid WP multiplicities - A13B2C8_mC92_12_3i6j_gi_4i2j:O-P-Pb, expected P2Pb8O15 to be P2Pb8O13" +mp-1202986,P4Pb2O15,-6.6412541836,-1.7232144295,0.4096703796,0.4096703796,GGA,P-1,A15B4C2_aP42_2_15i_4i_2i:O-P-Pb,42.0,A15B4C2_aP42_2_15i_4i_2i:O-P-Pb +mp-18022,P4Pb3O13,-7.3012677313,-2.4463625071,0.0035731036,0.0035731036,GGA,P-1,A13B4C3_aP40_2_13i_4i_3i:O-P-Pb,40.0,A13B4C3_aP40_2_13i_4i_3i:O-P-Pb +mp-1173474,P2Pb3O8,-7.0569049905,-2.3232083818,0.0128891022,-0.0051561515,GGA,Pc,A8B2C3_mP78_7_24a_6a_9a:O-P-Pb,78.0,A8B2C3_mP78_7_48a_12a_18a:O-P-Pb +mp-553956,P2Pb3O8,-7.0350846238,-2.3013880151,0.0347094688,0.0166642152,GGA,C2/m,A8B2C3_mC26_12_2ij_i_ai:O-P-Pb,13.0,A8B2C3_mC26_12_2ij_i_ai:O-P-Pb +mp-542152,P2Pb3O8,-7.0509822862,-2.3172856774,0.0188118065,0.0007665529,GGA,C2/c,A8B2C3_mC52_15_4f_f_ef:O-P-Pb,26.0,A8B2C3_mC52_15_4f_f_ef:O-P-Pb +mp-505799,P2Pb3O8,-7.0697940927,-2.336097484,0.0,-0.0180452537,GGA,C2/c,A8B2C3_mC52_15_4f_f_ef:O-P-Pb,26.0,A8B2C3_mC52_15_4f_f_ef:O-P-Pb +mp-1220067,P2Pb3O8,-7.0548704182,-2.3211738095,0.0149236745,-0.0031215792,GGA,P3,A8B2C3_hP39_143_8d_2d_2ab2d:O-P-Pb,39.0,A8B2C3_hP39_143_8d_2d_2ab2d:O-P-Pb +mp-758234,P2Pb3O8,-7.0603692556,-2.3266726469,0.0094248371,-0.0086204166,GGA,P-3,A8B2C3_hP78_147_8g_2g_3d2g:O-P-Pb,78.0,"Invalid WP multiplicities - A8B2C3_hP78_147_47g_10g_6d10g:O-P-Pb, expected P10Pb12O47 to be P2Pb3O8" +mp-22750,P2Pb3O8,-7.0341858754,-2.3004892667,0.0356082173,0.0175629637,GGA,R-3m,A8B2C3_hR39_166_ch_c_ac:O-P-Pb,13.0,"Invalid WP multiplicities - A8B2C3_hR39_166_c2h_c_ac:O-P-Pb, expected P2Pb3O14 to be P2Pb3O8" +mp-1179986,P2PbO8,-6.4510595418,-1.5317175624,0.5042179372,0.5042179372,GGA,P-1,A8B2C_aP22_2_8i_2i_i:O-P-Pb,22.0,A8B2C_aP22_2_8i_2i_i:O-P-Pb +mp-1180118,P2PbO8,-6.76799066,-1.8486486806,0.187286819,0.187286819,GGA,P-1,A8B2C_aP22_2_8i_2i_i:O-P-Pb,22.0,A8B2C_aP22_2_8i_2i_i:O-P-Pb +mp-1191461,P2PbO8,-6.6795950282,-1.7602530488,0.2756824508,0.2756824508,GGA,P-1,A8B2C_aP22_2_8i_2i_i:O-P-Pb,22.0,A8B2C_aP22_2_8i_2i_i:O-P-Pb +mp-1200154,P2PbO8,-6.6661802732,-1.7468382938,0.2890972058,0.2890972058,GGA,P2_1/c,A8B2C_mP44_14_8e_2e_e:O-P-Pb,44.0,A8B2C_mP44_14_8e_2e_e:O-P-Pb +mp-677454,P6(Pb2O5)5,-7.0029228849,-2.2889349941,0.0059377394,0.0059377394,GGA,P2_1,A25B6C10_mP82_4_25a_6a_10a:O-P-Pb,82.0,"Invalid WP multiplicities - A25B6C10_mP82_4_49a_10a_18a:O-P-Pb, expected P10Pb18O49 to be P6(Pb2O5)5" +mp-1220209,P6(Pb2O5)5,-7.0050926288,-2.291104738,0.0037679955,0.0037679955,GGA,P3,A25B6C10_hP41_143_a8d_2d_2b2c2d:O-P-Pb,41.0,A25B6C10_hP41_143_a8d_2d_2b2c2d:O-P-Pb +mp-676213,P6Pb5O11,-6.2589288691,-1.4654458594,0.4353732027,0.4353732027,GGA,P1,A11B6C5_aP22_1_11a_6a_5a:O-P-Pb,22.0,A11B6C5_aP22_1_11a_6a_5a:O-P-Pb +mp-3476,P2PbO6,-7.4016305385,-2.4883656106,0.0,-0.0437126029,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:O-P-Pb,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_17e_4e_2e:O-P-Pb, expected P4Pb2O17 to be P2PbO6" +mp-557256,RbP3PbO9,-7.234112214,-2.5588774238000003,0.0,-0.0021469449,GGA,P2_1/c,A9B3CD_mP112_14_18e_6e_2e_2e:O-P-Pb-Rb,112.0,"Invalid WP multiplicities - A9B3CD_mP112_14_71e_23e_4e_5e:O-P-Pb-Rb, expected Rb5P23Pb4O71 to be RbP3PbO9" +mp-729974,P3(PbO5)2,-7.2167457033,-2.3412731185,0.0385269718,0.0385269718,GGA,Cm,A10B3C2_mC30_8_2a4b_ab_b:O-P-Pb,15.0,A10B3C2_mC30_8_2a4b_ab_b:O-P-Pb +mp-31068,P2Pb4O9,-6.9032426123,-2.2234164994,0.0,-0.0028369961,GGA,P2_1/c,A9B2C4_mP60_14_9e_2e_4e:O-P-Pb,60.0,"Invalid WP multiplicities - A9B2C4_mP60_14_12e_2e_4e:O-P-Pb, expected P(PbO3)2 to be P2Pb4O9" +mp-558337,RbFeO2,-6.5781170464,-1.7421338702,0.0307513936,-0.0801273214,GGA+U,Pbca,AB2C_oP64_61_2c_4c_2c:Fe-O-Rb,64.0,"Invalid WP multiplicities - AB2C_oP64_61_10c_29c_8c:Fe-O-Rb, expected Rb8Fe10O29 to be RbFeO2" +mp-755708,RbFeO2,-6.4506269787,-1.6146438025,0.1582414613,0.0473627462,GGA+U,Cmcm,AB2C_oC16_63_c_f_c:Fe-O-Rb,8.0,AB2C_oC16_63_c_f_c:Fe-O-Rb +mp-768729,RbFeO2,-6.6067862969,-1.7708031206,0.0020821431,-0.1087965719,GGA+U,P4_12_12,AB2C_tP16_92_a_b_a:Fe-O-Rb,16.0,AB2C_tP16_92_a_b_a:Fe-O-Rb +mp-754958,RbFeO2,-6.5369965925,-1.7010134162,0.0718718475,-0.0390068675,GGA+U,Fd-3m,AB2C_cF32_227_a_c_b:Fe-O-Rb,8.0,AB2C_cF32_227_a_c_b:Fe-O-Rb +mp-768895,RbFe5O8,-7.5154753107,-1.5937503241000002,0.1326845579,0.1326845579,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Fe-O-Rb,56.0,"Invalid WP multiplicities - A5B8C_mP56_14_17e_29e_e:Fe-O-Rb, expected RbFe17O29 to be RbFe5O8" +mp-768716,Rb17Fe5O16,-5.1917496411,-1.5557968868,0.0038092151,0.0038092151,GGA+U,Cm,A5B16C17_mC76_8_a2b_2a7b_a8b:Fe-O-Rb,38.0,"Invalid WP multiplicities - A5B16C17_mC76_8_a4b_2a14b_a16b:Fe-O-Rb, expected Rb11Fe3O10 to be Rb17Fe5O16" +mp-31512,Rb7(FeO4)2,-5.2574903778,-1.5294144591,0.0,-0.0134222272,GGA+U,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Fe-O-Rb,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_2e_10e_7e:Fe-O-Rb, expected Rb7(FeO5)2 to be Rb7(FeO4)2" +mp-768685,Rb5FeO4,-4.7898688312,-1.4739241895,0.0002006844,-0.007883001,GGA+U,P2_1/c,AB4C5_mP40_14_e_4e_5e:Fe-O-Rb,40.0,"Invalid WP multiplicities - AB4C5_mP40_14_e_11e_9e:Fe-O-Rb, expected Rb9FeO11 to be Rb5FeO4" +mp-770075,Rb5FeO4,-4.7423136502,-1.4263690085,0.0477558654,0.03967218,GGA+U,P2_1/c,AB4C5_mP40_14_e_4e_5e:Fe-O-Rb,40.0,"Invalid WP multiplicities - AB4C5_mP40_14_e_15e_19e:Fe-O-Rb, expected Rb19FeO15 to be Rb5FeO4" +mp-768682,Rb5FeO4,-4.7573959485,-1.4414513067,0.0326735671,0.0245898817,GGA+U,Pmn2_1,AB4C5_oP20_31_a_2ab_a2b:Fe-O-Rb,20.0,"Invalid WP multiplicities - AB4C5_oP20_31_a_4a2b_2a4b:Fe-O-Rb, expected Rb10FeO8 to be Rb5FeO4" +mp-754255,Rb5FeO4,-4.7376760215,-1.4217313797,0.0523934941,0.0443098087,GGA+U,Pmmn,AB4C5_oP20_59_a_ef_bg:Fe-O-Rb,40.0,AB4C5_oP20_59_a_ef_bg:Fe-O-Rb +mp-768830,Rb5FeO4,-4.7900695156,-1.4741248739,0.0,-0.0080836854,GGA+U,Pbca,AB4C5_oP80_61_c_4c_5c:Fe-O-Rb,80.0,"Invalid WP multiplicities - AB4C5_oP80_61_c_13c_17c:Fe-O-Rb, expected Rb17FeO13 to be Rb5FeO4" +mp-768853,Rb5FeO4,-4.7372328648,-1.421288223,0.0528366509,0.0447529655,GGA+U,Pbca,AB4C5_oP80_61_c_4c_5c:Fe-O-Rb,80.0,"Invalid WP multiplicities - AB4C5_oP80_61_c_13c_17c:Fe-O-Rb, expected Rb17FeO13 to be Rb5FeO4" +mp-1094097,Rb2Ce2Fe4O9,-7.6948993612,-2.2697505555,0.1257353835,0.1257353835,GGA+U,Amm2,A2B4C9D2_oC34_38_d_4b_4ab2e_d:Ce-Fe-O-Rb,17.0,A2B4C9D2_oC34_38_d_4b_4ab2e_d:Ce-Fe-O-Rb +mp-768846,Rb2Fe4O7,-7.06882088,-1.6482074982,0.0996660215,0.0996660215,GGA+U,P-31m,A4B7C2_hP13_162_de_ak_c:Fe-O-Rb,13.0,"Invalid WP multiplicities - A4B7C2_hP13_162_de_a2k_c:Fe-O-Rb, expected Rb2Fe4O13 to be Rb2Fe4O7" +mp-33816,Rb6Fe2O5,-5.08211052,-1.4239035653,0.0010958156,0.0010958156,GGA+U,Cm,A2B5C6_mC26_8_2a_a2b_2a2b:Fe-O-Rb,13.0,"Invalid WP multiplicities - A2B5C6_mC26_8_2a_a4b_2a4b:Fe-O-Rb, expected Rb10Fe2O9 to be Rb6Fe2O5" +mp-1101471,Rb2FeO4,-5.7487111221,-1.4318762364,0.0,-0.0017524464,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_2c:Fe-O-Rb,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_5c4d_5c:Fe-O-Rb, expected Rb5FeO13 to be Rb2FeO4" +mp-1094081,Rb2Ce2Fe4O11,-7.6971702595,-2.3223856743,0.1143629332,0.1143629332,GGA+U,Cmmm,A2B4C11D2_oC38_65_j_2g_ag2hp_f:Ce-Fe-O-Rb,19.0,A2B4C11D2_oC38_65_j_2g_ag2hp_f:Ce-Fe-O-Rb +mp-755676,Rb2Fe2O3,-6.3186722307,-1.4985041309,0.043858647,0.043858647,GGA+U,Pnma,A2B3C2_oP28_62_2c_cd_2c:Fe-O-Rb,28.0,"Invalid WP multiplicities - A2B3C2_oP28_62_5c_3c2d_5c:Fe-O-Rb, expected Rb5Fe5O7 to be Rb2Fe2O3" +mp-975322,RbFeO3,-6.023394786,-1.1652705028,0.2668450157,0.2668450157,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Fe-O-Rb,5.0,AB3C_cP5_221_b_c_a:Fe-O-Rb +mp-555287,Rb3FeO3,-5.3380978189,-1.587856453,0.0,-0.0113844827,GGA+U,C2/m,AB3C3_mC28_12_i_ij_ghi:Fe-O-Rb,28.0,AB3C3_mC28_12_i_ij_ghi:Fe-O-Rb +mp-756020,Rb3FeO3,-5.3340549071,-1.5838135412,0.0040429118,-0.007341571,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Fe-O-Rb, expected Rb9FeO9 to be Rb3FeO3" +mp-768710,Rb3FeO3,-5.2282856532,-1.4780442873,0.1098121657,0.098427683,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_11e_11e:Fe-O-Rb, expected Rb11FeO11 to be Rb3FeO3" +mp-769712,Rb3FeO3,-5.3159248754,-1.5656835095,0.0221729436,0.0107884608,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_11e:Fe-O-Rb, expected Rb11FeO9 to be Rb3FeO3" +mp-1101417,Rb3FeO3,-5.2858259979,-1.535584632,0.0522718211,0.0408873383,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_11e_7e:Fe-O-Rb, expected Rb7FeO11 to be Rb3FeO3" +mp-561139,Rb8Fe2O7,-5.0194813138,-1.5247086092000002,0.0,-0.0037530851,GGA+U,P2_1/c,A2B7C8_mP34_14_e_a3e_4e:Fe-O-Rb,34.0,"Invalid WP multiplicities - A2B7C8_mP34_14_e_2a8e_14e:Fe-O-Rb, expected Rb14FeO9 to be Rb8Fe2O7" +mp-768833,Rb8Fe2O7,-4.9674837549,-1.4727110502,0.051997559,0.0482444739,GGA+U,P2_1/c,A2B7C8_mP68_14_2e_7e_8e:Fe-O-Rb,68.0,"Invalid WP multiplicities - A2B7C8_mP68_14_3e_27e_31e:Fe-O-Rb, expected Rb31(FeO9)3 to be Rb8Fe2O7" +mp-770388,RbFe3O5,-7.3433632933,-1.6629142646,0.0738429244,0.0738429244,GGA+U,Pmn2_1,A3B5C_oP36_31_6a_10a_2a:Fe-O-Rb,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_9c_17c_c:Fe-O-Rb, expected RbFe9O17 to be RbFe3O5" +mp-769468,RbFe3O5,-7.3447259928,-1.664276964,0.072480225,0.072480225,GGA+U,Pnma,A3B5C_oP36_62_3c_5c_c:Fe-O-Rb,36.0,"Invalid WP multiplicities - A3B5C_oP36_62_9c_17c_c:Fe-O-Rb, expected RbFe9O17 to be RbFe3O5" +mp-1246597,Dy3Mg2TiS8,-6.14534514,-2.001915742,0.0518841884,0.0518841884,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Dy-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Dy-Mg-S-Ti, expected Dy3Mg2TiS22 to be Dy3Mg2TiS8" +mp-1247063,DyMg2Ti3S8,-6.342741385,-1.7294969618,0.0874102688,0.0874102688,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Dy-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Dy-Mg-S-Ti, expected DyMg2Ti3S16 to be DyMg2Ti3S8" +mp-1246294,DyMgTiS4,-6.2331075764,-1.8547706658,0.0805829146,0.0805829146,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Dy-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Dy-Mg-S-Ti, expected DyMgTiS12 to be DyMgTiS4" +mp-1219863,Pr6Mn(SiS7)2,-6.5503988561,-1.9152517249,0.0,-0.0307851415,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Mn-Pr-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Mn-Pr-S-Si +mp-1028209,Mg14TiAl,-2.0941356656,0.0336761185,0.1046436799,0.1046436799,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Ti, expected Mg18TiAl to be Mg14TiAl" +mp-1028215,Mg14TiAl,-2.08318394,0.0446278442,0.1155954055,0.1155954055,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Ti, expected Mg26TiAl to be Mg14TiAl" +mp-1247528,MgTiAlS4,-5.7690690121,-1.5137622458000002,0.0745114632,0.0745114632,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Al-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Al-Mg-S-Ti, expected MgTiAlS12 to be MgTiAlS4" +mp-1247022,Mg2TiAl3S8,-5.4361524507,-1.4772682692,0.0559118541,0.0559118541,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Al-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Al-Mg-S-Ti, expected Mg2TiAl3S22 to be Mg2TiAl3S8" +mp-1185733,Mg16TiAl12,-2.7265731548,-0.0215082315,0.0585581614,0.0585581614,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Ti,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Ti, expected Mg49TiAl39 to be Mg16TiAl12" +mp-1185734,Mg16TiAl12,-2.7280985479,-0.0230336246,0.0570327683,0.0570327683,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Ti,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Ti, expected Mg48TiAl12 to be Mg16TiAl12" +mp-1247067,Mg2Ti3AlS8,-6.1146454079,-1.5629160568,0.080451238,0.080451238,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Al-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Al-Mg-S-Ti, expected Mg2Ti3AlS16 to be Mg2Ti3AlS8" +mp-684031,Mg3(TiAl9)2,-3.9872060387,-0.1605891203,0.0,-0.0134663824,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-Ti,46.0,"Invalid WP multiplicities - A18B3C2_cF184_227_9f10g_2a2c_d:Al-Mg-Ti, expected Mg3TiAl87 to be Mg3(TiAl9)2" +mp-1023397,Mg6TiAl,-2.58869482,0.0666486983,0.1856129698,0.1856129698,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Ti, expected Mg12TiAl to be Mg6TiAl" +mp-1023400,Mg6TiAl,-2.5907109212,0.0646325971,0.1835968685,0.1835968685,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Ti, expected Mg12TiAl to be Mg6TiAl" +mp-1111712,Rb2YAuBr6,-3.895605511,-1.7936463872,0.0879913322,0.0879913322,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Rb-Y +mp-1111259,K2LiDyCl6,-4.417225419,-2.4344526629,0.0259199428,0.0259199428,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Li +mp-1111283,Na2CuAuF6,-4.125145769,-1.9764444628,0.1784832136,0.1784832136,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Na +mp-1112626,Cs2KAuCl6,-3.334629091,-1.6079985259,0.110313169,0.110313169,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Cs-K +mp-1095752,CsKAu2,-2.0231934375,0.1151978923,0.4121150206,0.4121150206,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Cs-K,4.0,A2BC_oI8_71_e_a_b:Au-Cs-K +mp-1111647,K2NaErCl6,-4.351089707,-2.4308635113,0.0234962592,0.0234962592,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Er-K-Na +mp-1042928,Fe2(MoO4)3,-8.2533356897,-1.8511440847,0.0472723354,0.0103610746,GGA+U,P-1,A2B3C12_aP34_2_2i_3i_12i:Fe-Mo-O,34.0,A2B3C12_aP34_2_2i_3i_12i:Fe-Mo-O +mp-704851,Fe2(MoO4)3,-8.2973893121,-1.8951977071,0.0032187131,-0.0336925477,GGA+U,P2_1,A2B3C12_mP136_4_8a_12a_48a:Fe-Mo-O,136.0,"Invalid WP multiplicities - A2B3C12_mP136_4_15a_23a_96a:Fe-Mo-O, expected Fe15Mo23O96 to be Fe2(MoO4)3" +mp-705435,Fe2(MoO4)3,-8.2991282187,-1.8969366137,0.0014798065,-0.0354314543,GGA+U,P2_1/c,A2B3C12_mP136_14_4e_6e_24e:Fe-Mo-O,136.0,"Invalid WP multiplicities - A2B3C12_mP136_14_14e_20e_92e:Fe-Mo-O, expected Fe7(Mo5O23)2 to be Fe2(MoO4)3" +mp-699382,Fe2(MoO4)3,-7.622739526,-1.220547921,0.6778684991,0.6409572383000001,GGA+U,P2_12_12,A2B3C12_oP68_18_2c_3c_ab11c:Fe-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_18_2c_4c_2a2b20c:Fe-Mo-O, expected FeMo2O11 to be Fe2(MoO4)3" +mp-21925,Fe2(MoO4)3,-8.3006080251,-1.8984164201,0.0,-0.0369112608,GGA+U,Pbcn,A2B3C12_oP68_60_d_cd_6d:Fe-Mo-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_60_d_cd_7d:Fe-Mo-O, expected Fe2Mo3O14 to be Fe2(MoO4)3" +mp-1181634,Fe(MoO5)2,-7.1516595242,-1.0264127133,0.5110943571000001,0.5110943571000001,GGA+U,P-1,AB2C10_aP26_2_i_2i_10i:Fe-Mo-O,26.0,AB2C10_aP26_2_i_2i_10i:Fe-Mo-O +mp-1193076,Fe(MoO5)2,-7.0083324054,-0.8830855944,0.654421476,0.654421476,GGA+U,P-1,AB2C10_aP26_2_i_2i_10i:Fe-Mo-O,26.0,AB2C10_aP26_2_i_2i_10i:Fe-Mo-O +mp-1225189,FeMoO,-7.90081714,0.1866362038,1.1996106908,1.1996106908,GGA+U,P3m1,ABC_hP3_156_a_b_c:Fe-Mo-O,3.0,ABC_hP3_156_a_b_c:Fe-Mo-O +mp-560123,FeBi3(MoO6)2,-7.4699928836,-1.8564899194,0.0024941546,0.0024941546,GGA+U,C2/c,A3BC2D12_mC72_15_ef_e_f_6f:Bi-Fe-Mo-O,36.0,"Invalid WP multiplicities - A3BC2D12_mC72_15_e2f_e_f_23f:Bi-Fe-Mo-O, expected FeBi5(MoO23)2 to be FeBi3(MoO6)2" +mp-505526,FeMoO4,-8.393101805,-1.8760307775,0.0004485806,0.0004485806,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Fe-Mo-O,24.0,ABC4_mC48_12_gi_hi_2i3j:Fe-Mo-O +mp-556667,FeMoO4,-8.3844594025,-1.867388375,0.0090909831,0.0090909831,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Fe-Mo-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_2gi_hi_2i3j:Fe-Mo-O, expected Fe3(MoO4)2 to be FeMoO4" +mp-33537,Fe2MoO4,-8.4677662507,-1.67170234,0.0419879871,0.0419879871,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Mo-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_2hi:Fe-Mo-O, expected Fe2MoO6 to be Fe2MoO4" +mp-504974,Fe2Mo3O8,-8.5303434077,-1.6803047585000002,0.1758685181,0.1758685181,GGA+U,P6_3mc,A2B3C8_hP26_186_2b_c_ab2c:Fe-Mo-O,26.0,"Invalid WP multiplicities - A2B3C8_hP26_186_2b_c_a2b3c:Fe-Mo-O, expected Fe2(MoO4)3 to be Fe2Mo3O8" +mp-1181867,Fe2Mo4O7,-8.5356234481,-1.2318185374,0.4020702256,0.4020702256,GGA+U,Cm,A2B4C7_mC52_8_4a_4a2b_8a3b:Fe-Mo-O,26.0,"Invalid WP multiplicities - A2B4C7_mC52_8_4a_4a2b_8a4b:Fe-Mo-O, expected Fe(MoO2)2 to be Fe2Mo4O7" +mp-542150,Fe2Mo4O7,-8.5710818415,-1.2672769309,0.3666118321,0.3666118321,GGA+U,C2/m,A2B4C7_mC52_12_ei_2ij_ac2i2j:Fe-Mo-O,26.0,"Invalid WP multiplicities - A2B4C7_mC52_12_ei_4ij_ad4i2j:Fe-Mo-O, expected Fe2(Mo2O3)3 to be Fe2Mo4O7" +mp-30154,Fe2Mo4O7,-8.5100085408,-1.2062036301,0.4276851329,0.4276851329,GGA+U,Imma,A2B4C7_oI52_74_ae_hi_c2hi:Fe-Mo-O,26.0,A2B4C7_oI52_74_ae_hi_c2hi:Fe-Mo-O +mp-1079236,ReTc(PbO3)2,-7.58315746,-1.5920982062,0.150090439,0.150090439,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Pb-Re-Tc,10.0,A6B2CD_cF40_225_e_c_a_b:O-Pb-Re-Tc +mp-687205,TcPbO3,-7.437499719,-1.6548292893,0.0635834993,0.0635834993,GGA,Fd-3m,A3BC_cF80_227_f_c_d:O-Pb-Tc,20.0,A3BC_cF80_227_f_c_d:O-Pb-Tc +mp-759817,Cd3(Pt3O4)10,-6.0974581062,-0.8540304715,0.0264340039,0.0264340039,GGA,P2/m,A3B40C30_mP73_10_am_10o_k5m5n2o:Cd-O-Pt,73.0,"Invalid WP multiplicities - A3B40C30_mP73_10_am_38o_2k9m9n6o:Cd-O-Pt, expected Cd3(Pt8O19)8 to be Cd3(Pt3O4)10" +mp-1227215,Cd(Pt3O4)3,-6.0866616807,-0.8628728545000001,0.02320803,0.02320803,GGA,Pmmm,AB12C9_oP44_47_i_3A_3jmtxy:Cd-O-Pt,44.0,"Invalid WP multiplicities - AB12C9_oP44_47_i_24A_6j2m2t2x4y:Cd-O-Pt, expected Cd(Pt11O48)2 to be Cd(Pt3O4)3" +mp-1102073,SrCdPt,-3.5720307008,-0.6775251897,0.0,-0.040354727,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Pt-Sr,12.0,ABC_oP12_62_c_c_c:Cd-Pt-Sr +mp-10392,Sr3CdPtO6,-6.1380302277,-2.3432451634,0.0,-0.0626118035,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Cd-O-Pt-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Cd-O-Pt-Sr +mp-1068157,Sr2CdPt2,-4.033570604,-0.7447419427,0.0,-0.0230464448,GGA,Immm,AB2C2_oI10_71_a_f_h:Cd-Pt-Sr,5.0,AB2C2_oI10_71_a_f_h:Cd-Pt-Sr +mp-1213850,CdPt3O4,-5.6719879969,-0.8066074263,0.1402968676,0.1402968676,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Cd-O-Pt,16.0,AB4C3_cP16_223_a_e_c:Cd-O-Pt +mp-1104117,Sr(Cd2Pt)2,-2.9579183786,-0.4545870738,0.0,-0.0583295639,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Cd-Pt-Sr,14.0,A4B2C_tP14_136_i_f_a:Cd-Pt-Sr +mp-8212,Cd(PtO2)3,-5.962134896,-1.0804926972,0.0,-0.0982695144,GGA,Cmmm,AB6C3_oC20_65_a_hp_bf:Cd-O-Pt,10.0,"Invalid WP multiplicities - AB6C3_oC20_65_a_hp_b2f:Cd-O-Pt, expected CdPt5O6 to be Cd(PtO2)3" +mp-6964,NaTbO2,-7.0958127712,-3.1332455673,0.0,-0.1034209902,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Tb,8.0,AB2C_tI16_141_a_e_b:Na-O-Tb +mp-771975,Na2TbO3,-6.1295433367,-2.4429628666,0.0819776064,0.0819776064,GGA,P-1,A2B3C_aP18_2_3i_b4i_ei:Na-O-Tb,18.0,"Invalid WP multiplicities - A2B3C_aP18_2_5i_b6i_ei:Na-O-Tb, expected Na10Tb3O13 to be Na2TbO3" +mp-706872,Na2TbO3,-5.9255588401,-2.23897837,0.285962103,0.285962103,GGA,P-1,A2B3C_aP96_2_ab15i_24i_8i:Na-O-Tb,96.0,"Invalid WP multiplicities - A2B3C_aP96_2_ab29i_47i_15i:Na-O-Tb, expected Na30Tb15O47 to be Na2TbO3" +mp-686281,Na2TbO3,-5.9299472547,-2.2433667846,0.2815736883,0.2815736883,GGA,P-1,A2B3C_aP144_2_ab23i_36i_12i:Na-O-Tb,144.0,"Invalid WP multiplicities - A2B3C_aP144_2_ab46i_72i_23i:Na-O-Tb, expected Na47Tb23O72 to be Na2TbO3" +mp-1221290,Na2TbO3,-6.1355423217,-2.4489618516,0.0759786214,0.0759786214,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-O-Tb,12.0,A2B3C_mC24_12_adg_ij_h:Na-O-Tb +mp-34492,Na2TbO3,-6.1339149858,-2.4473345157,0.0776059572,0.0776059572,GGA,C2/c,A2B3C_mC24_15_2e_cf_e:Na-O-Tb,12.0,"Invalid WP multiplicities - A2B3C_mC24_15_4e_2a2f_e:Na-O-Tb, expected Na4TbO6 to be Na2TbO3" +mp-28430,Na2TbO3,-6.1355486004,-2.4489681303,0.0759723426,0.0759723426,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Tb,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_a2e2f_3f_2e:Na-O-Tb, expected Na7Tb2O6 to be Na2TbO3" +mp-1221276,Na2TbO3,-6.125924315,-2.4393438449,0.0855966281,0.0855966281,GGA,Immm,A2B3C_oI12_71_e_cf_a:Na-O-Tb,6.0,A2B3C_oI12_71_e_cf_a:Na-O-Tb +mp-1210223,Na4Tb2(IrO4)3,-6.8931655967,-2.1105750991,0.0,-0.016188572,GGA,P-62m,A3B4C12D2_hP21_189_f_ag_2gj_d:Ir-Na-O-Tb,21.0,A3B4C12D2_hP21_189_f_ag_2gj_d:Ir-Na-O-Tb +mp-1210242,Na5TbO6,-5.1519754067,-1.7413816704,0.1752537082,0.1752537082,GGA,C2/c,A5B6C_mC48_15_c2ef_3f_e:Na-O-Tb,24.0,A5B6C_mC48_15_a2ef_3f_e:Na-O-Tb +mp-1220923,NaTbIrO4,-7.2667280857,-2.3264308831,0.0355836145,0.0355836145,GGA,Amm2,ABC4D_oC42_38_be_bd_2a2d3e_ad:Ir-Na-O-Tb,21.0,"Invalid WP multiplicities - ABC4D_oC42_38_be_bd_2a2d6e_ad:Ir-Na-O-Tb, expected NaTbIrO6 to be NaTbIrO4" +mp-1040864,Ba2Mo2F11,-6.3157464953,-3.2120452458,0.0876535835,0.0876535835,GGA+U,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Mo,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Mo, expected Ba5Mo5F31 to be Ba2Mo2F11" +mp-1370373,ZnMoF5,-5.7349668839,-2.6402828043,0.0560954068,0.0560954068,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mo-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Mo-Zn +mp-1404453,ZnMoF5,-5.7373426943,-2.6426586146,0.0537195964,0.0537195964,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Mo-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Mo-Zn, expected ZnMoF7 to be ZnMoF5" +mp-1047902,BaZnMoF7,-5.8854432397,-3.1449710965,0.0,-0.0021228357,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mo-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mo-Zn, expected BaZnMoF23 to be BaZnMoF7" +mp-1407092,ZnMoF6,-5.6474445763,-2.7006611356,0.0,-0.0437942928,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mo-Zn,8.0,A6BC_hR24_148_f_a_b:F-Mo-Zn +mp-1047957,BaMoF7,-6.0481926361,-3.1431951003,0.0032684683,0.0032684683,GGA+U,P2_1/c,AB7C_mP36_14_e_7e_e:Ba-F-Mo,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_23e_e:Ba-F-Mo, expected BaMoF23 to be BaMoF7" +mp-5015,UAlRh,-8.0273762656,-0.5602783622,0.1657029011,0.1657029011,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Rh-U,9.0,ABC_hP9_189_f_bc_g:Al-Rh-U +mp-1095887,Al2CoRh,-3.319157605,2.1717867262,3.0220109375,3.0220109375,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Co-Rh,4.0,A2BC_oI8_71_e_a_b:Al-Co-Rh +mp-1208106,U3(Al3Co)4,-5.9713448603,-0.3263758513,0.0527574068,0.0527574068,GGA,P6_3/mmc,A12B4C3_hP38_194_bfhk_ag_h:Al-Co-U,38.0,A12B4C3_hP38_194_bfhk_ag_h:Al-Co-U +mp-30914,UAl4Co,-5.8804329206,-0.3167610664,0.0299459708,0.0299459708,GGA,P-62m,A4BC_hP18_189_fgk_ac_f:Al-Co-U,18.0,A4BC_hP18_189_fgk_ac_f:Al-Co-U +mp-30272,U2Al19Co6,-5.4465290635,-0.3947265613,0.0079894169,0.0079894169,GGA,C2/m,A19B6C2_mC108_12_g2i8j_2i2j_2i:Al-Co-U,54.0,"Invalid WP multiplicities - A19B6C2_mC108_12_2g3i28j_4i8j_2i:Al-Co-U, expected U2Al61Co20 to be U2Al19Co6" +mp-1216421,UAlCo,-7.615850885,-0.2340830067,0.1735680117,0.1735680117,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-U,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-U, expected U3(AlCo)2 to be UAlCo" +mp-1216294,UAlCo,-7.640616275,-0.2588483967,0.1488026217,0.1488026217,GGA,Imma,ABC_oI12_74_a_c_e:Al-Co-U,6.0,ABC_oI12_74_a_c_e:Al-Co-U +mp-1079367,UAlCo,-7.6926596211,-0.3108917428,0.0967592756,0.0967592756,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Co-U,9.0,ABC_hP9_189_f_bc_g:Al-Co-U +mp-30176,U2AlCo3,-8.2699613658,-0.3277364933,0.0548980217,0.0548980217,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Al-Co-U,12.0,AB3C2_hP12_194_a_h_f:Al-Co-U +mp-1207964,U2(Al3Rh)3,-6.1828925575,-0.5838978361,0.0076910563,0.0076910563,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-U,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Rh-U +mp-641651,U2(Al3Co)3,-5.8786880318,-0.3345483264,0.0499829237,0.0499829237,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-U,28.0,"Invalid WP multiplicities - A9B3C2_oC56_63_2c3f4g4h_2a2e_g:Al-Co-U, expected UAl16Co3 to be U2(Al3Co)3" +mp-21269,U2AlCo2,-8.363391178,-0.25438489,0.0974911245,0.0974911245,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Al-Co-U,10.0,AB2C2_tP10_127_a_g_h:Al-Co-U +mp-1216888,U3Al3CoRh2,-7.9158084622,-0.4771539006,0.1427172811,0.1427172811,GGA,P-6,A3BC2D3_hP9_174_j_a_cf_k:Al-Co-Rh-U,9.0,A3BC2D3_hP9_174_j_a_cf_k:Al-Co-Rh-U +mp-1216380,Y2Sc2TiCo10,-7.1977527247,-0.2259826978,0.047730004,0.047730004,GGA,R3m,A10B2CD2_hR90_160_5a5b_4a_2a_4a:Co-Sc-Ti-Y,30.0,"Invalid WP multiplicities - A10B2CD2_hR90_160_5a15b_4a_2a_4a:Co-Sc-Ti-Y, expected Y2Sc2TiCo25 to be Y2Sc2TiCo10" +mp-1215991,YTiCo11,-7.2543205931,-0.1348237565,0.012407158,0.012407158,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Co-Ti-Y,13.0,A11BC_oI26_44_a2b2ce_a_a:Co-Ti-Y +mp-1097148,ScTiCo2,-4.4757237175,2.6354254604,3.021001325,3.021001325,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Sc-Ti,4.0,A2BC_oI8_71_e_a_b:Co-Sc-Ti +mp-1111947,Rb2HgSbF6,-4.264202126,-2.4779397705,0.1157429129,0.1157429129,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Sb +mp-1087236,Ba2AsSe4O3,-4.774382202,-1.0423041691,0.7910188639,0.7910188639,GGA,Cm,AB2C3D4_mC20_8_a_b_ab_2ab:As-Ba-O-Se,10.0,AB2C3D4_mC20_8_a_b_ab_2ab:As-Ba-O-Se +mp-554584,Rb3NaPbO4,-4.6411977536,-1.5563611507,0.0,-0.0077686544,GGA,P2_1/c,AB4CD3_mP36_14_e_4e_e_3e:Na-O-Pb-Rb,36.0,"Invalid WP multiplicities - AB4CD3_mP36_14_e_13e_e_7e:Na-O-Pb-Rb, expected Rb7NaPbO13 to be Rb3NaPbO4" +mp-1233441,Ba4Mg(RhO3)4,-6.6908295162,-2.019702096,0.1313404409,0.1313404409,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Mg-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a7b_4a:Ba-Mg-O-Rh, expected Ba4Mg(Rh2O9)2 to be Ba4Mg(RhO3)4" +mp-1233801,Ba4Mg(RhO3)4,-6.6490504595,-1.9779230393,0.1731194976,0.1731194976,GGA,Cm,A4BC12D4_mC42_8_4a_a_4a4b_4a:Ba-Mg-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_mC42_8_4a_a_4a8b_4a:Ba-Mg-O-Rh, expected Ba4Mg(RhO5)4 to be Ba4Mg(RhO3)4" +mp-1233410,Ba4Mg(RhO3)4,-6.5584762305,-1.8873488102,0.2636937266,0.2636937266,GGA,P3m1,A4BC12D4_hP21_156_ab2c_a_4d_2a2b:Ba-Mg-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_hP21_156_ab2c_a_8d_2a2b:Ba-Mg-O-Rh, expected Ba4Mg(RhO6)4 to be Ba4Mg(RhO3)4" +mp-1233486,Ba4Mg(RhO3)4,-6.6098812595,-1.9387538393,0.2122886976,0.2122886976,GGA,P-6m2,A4BC12D4_hP21_187_adi_e_jkn_gh:Ba-Mg-O-Rh,21.0,"Invalid WP multiplicities - A4BC12D4_hP21_187_adi_e_2j2kn_g2h:Ba-Mg-O-Rh, expected Ba4Mg(RhO3)6 to be Ba4Mg(RhO3)4" +mp-4034,LaTe2Se,-5.2611563087,-1.5815237164,0.0,-0.0938552155,GGA,Cmcm,ABC2_oC16_63_c_c_2c:La-Se-Te,8.0,ABC2_oC16_63_c_c_2c:La-Se-Te +mp-1223117,La8Te3SeO8,-8.0053295225,-3.4059597381,0.0076346735,0.0076346735,GGA,P4/mmm,A8B8CD3_tP20_123_2g2h_2i_a_bh:La-O-Se-Te,20.0,"Invalid WP multiplicities - A8B8CD3_tP20_123_3g4h_5i_a_b2h:La-O-Se-Te, expected La14Te5SeO20 to be La8Te3SeO8" +mp-1192556,RbInTe3O8,-5.7728130854,-1.7162249952000002,0.0,-0.0253472535,GGA,P-1,AB8CD3_aP26_2_bd_8i_i_3i:In-O-Rb-Te,26.0,AB8CD3_aP26_2_bd_8i_i_3i:In-O-Rb-Te +mp-572231,CsDy(MoO4)2,-8.1136182533,-2.5497016598,0.0,-0.0223276134,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Cs-Dy-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_mP24_13_e_f_g_15g:Cs-Dy-Mo-O, expected CsDy(MoO15)2 to be CsDy(MoO4)2" +mp-779546,Cs3DyO3,-5.3580127557,-2.1961470286,0.0091694036,0.0091694036,GGA,C2/m,A3BC3_mC28_12_ghi_i_ij:Cs-Dy-O,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_gh2i_i_2ij:Cs-Dy-O, expected Cs4DyO4 to be Cs3DyO3" +mp-1178583,Cs3DyO3,-5.3605523511,-2.1986866239,0.0066298082,0.0066298082,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Dy-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_11e_e_9e:Cs-Dy-O, expected Cs11DyO9 to be Cs3DyO3" +mp-754138,CsDyO2,-6.8164048338,-2.9675131751,0.0,-0.0139273815,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Dy-O,8.0,ABC2_hP8_194_c_a_f:Cs-Dy-O +mp-29040,Li3Zr4F19,-6.7740485888,-3.8419073772,0.0,-0.0062936932,GGA,P-1,A19B3C4_aP52_2_19i_3i_4i:F-Li-Zr,52.0,"Invalid WP multiplicities - A19B3C4_aP52_2_20i_4i_4i:F-Li-Zr, expected LiZrF5 to be Li3Zr4F19" +mp-555845,BaLiZr2F11,-6.7756967933,-3.9790589461,0.0013838745,0.0013838745,GGA,I4/m,AB11CD2_tI60_87_e_ch2i_d_h:Ba-F-Li-Zr,30.0,"Invalid WP multiplicities - AB11CD2_tI60_87_e_2c4h11i_d_h:Ba-F-Li-Zr, expected BaLiZr2F54 to be BaLiZr2F11" +mp-9308,Li4ZrF8,-5.9462100265,-3.5250389622,0.0,-0.0024527396,GGA,Pnma,A8B4C_oP52_62_2c3d_2d_c:F-Li-Zr,52.0,"Invalid WP multiplicities - A8B4C_oP52_62_4c7d_2d_c:F-Li-Zr, expected Li4ZrF18 to be Li4ZrF8" +mp-542219,Li2ZrF6,-6.3235560656,-3.675287158,0.0058064533,-0.0094177891,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-Zr,36.0,A6B2C_mP36_14_6e_2e_e:F-Li-Zr +mp-556176,Li2ZrF6,-6.2792659094,-3.6309970019,0.0500966094,0.034872367,GGA,C2/c,A6B2C_mC36_15_3f_f_e:F-Li-Zr,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_8f_f_e:F-Li-Zr, expected Li2ZrF16 to be Li2ZrF6" +mp-4002,Li2ZrF6,-6.3293625189,-3.6810936113,0.0,-0.0152242424,GGA,P-31m,A6B2C_hP9_162_k_c_b:F-Li-Zr,9.0,A6B2C_hP9_162_k_c_b:F-Li-Zr +mp-1219774,Rb12Sn2As6O,-3.0171561695,-0.5082537066,0.0,-0.0184766976,GGA,P-3m1,A6BC12D2_hP21_164_i_a_2i_d:As-O-Rb-Sn,21.0,A6BC12D2_hP21_164_i_a_2i_d:As-O-Rb-Sn +mp-15108,RbSnAsO5,-6.3227467189,-2.0249132328,0.0,-0.2114544145,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:As-O-Rb-Sn,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_2a_13a_3a_3a:As-O-Rb-Sn, expected Rb3Sn3As2O13 to be RbSnAsO5" +mp-556541,InSb2S4Cl,-4.4631262244,-0.7876234322,0.0,-0.0137623385,GGA,C2/m,ABC4D2_mC32_12_i_i_4i_2i:Cl-In-S-Sb,16.0,"Invalid WP multiplicities - ABC4D2_mC32_12_i_i_8i_4i:Cl-In-S-Sb, expected InSb4S8Cl to be InSb2S4Cl" +mp-616610,InCu(MoO4)2,-7.4602947338,-1.7839863746,0.0373703627,0.0373703627,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cu-In-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_mC48_15_e_e_f_12f:Cu-In-Mo-O, expected InCu(MoO12)2 to be InCu(MoO4)2" +mp-556855,Ba3Bi(ClO)3,-5.7257676507,-2.7274586444,0.0,-0.0435709132,GGA,Pnma,A3BC3D3_oP40_62_cd_c_cd_cd:Ba-Bi-Cl-O,40.0,"Invalid WP multiplicities - A3BC3D3_oP40_62_4c4d_c_4c5d_2c3d:Ba-Bi-Cl-O, expected Ba12Bi(Cl7O4)2 to be Ba3Bi(ClO)3" +mp-552806,BaBiClO2,-5.919708493,-2.4194328625,0.0,-0.0470242118,GGA,Cmcm,ABCD2_oC20_63_c_c_c_e:Ba-Bi-Cl-O,10.0,ABCD2_oC20_63_c_c_c_e:Ba-Bi-Cl-O +mp-1227965,BaBiClO2,-5.827996206,-2.3277205755,0.091712287,0.0446880752,GGA,I4mm,ABCD2_tI10_107_a_a_a_b:Ba-Bi-Cl-O,5.0,ABCD2_tI10_107_a_a_a_b:Ba-Bi-Cl-O +mp-560145,BaBi4(ClO3)2,-5.7427205462,-1.8459407733,0.1256402661,0.1256402661,GGA,I4/mmm,AB4C2D6_tI26_139_a_2e_e_dg:Ba-Bi-Cl-O,13.0,AB4C2D6_tI26_139_a_2e_e_dg:Ba-Bi-Cl-O +mp-1157205,Zn3Cu2(SiO4)3,-6.4297570689,-2.0490639291,0.1837292656,0.1837292656,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Cu-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Cu-O-Si-Zn +mp-1250217,Zn3Cu2(Si2O7)2,-6.7507621735,-2.275433554,0.0923908009,0.0923908009,GGA,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Cu-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Cu-O-Si-Zn, expected Zn3CuSi5O27 to be Zn3Cu2(Si2O7)2" +mp-1043369,ZnCu(Si2O5)2,-7.4898671491,-2.7069228045,0.0911194291,0.0911194291,GGA,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Cu-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Cu-O-Si-Zn, expected ZnCu(Si2O11)2 to be ZnCu(Si2O5)2" +mp-1255465,ZnCu(SiO3)2,-7.0149240985,-2.4259522378,0.0900960825,0.0900960825,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Cu-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Cu-O-Si-Zn +mp-1041504,ZnCu(SiO3)2,-7.0121624131,-2.4231905524,0.0928577679,0.0928577679,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Cu-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Cu-O-Si-Zn, expected ZnCuSi8O41 to be ZnCu(SiO3)2" +mp-21118,Sr(MnGe)2,-6.148355088,-0.2964391385,0.0329851553,0.0329851553,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Sr,5.0,A2B2C_tI10_139_e_d_a:Ge-Mn-Sr +mp-1208680,SrMn(GeO3)2,-7.424352181,-2.4465825087,0.0,-0.0121150558,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mn-O-Sr,40.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mn-O-Sr +mp-22458,Sr2MnGe2O7,-7.3270007033,-2.6258441294,0.0,-0.0088135731,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ge-Mn-O-Sr,48.0,A2BC7D2_tP24_113_e_a_cef_e:Ge-Mn-O-Sr +mp-20189,SrMnGe,-5.4252076317,-0.2670287649,0.1469146007,0.1469146007,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Mn-Sr,6.0,ABC_tP6_129_c_a_c:Ge-Mn-Sr +mp-2232194,MgZr4(CuS4)2,-6.6390135927,-1.5002739363000002,0.0887062322,0.0887062322,GGA,R-3m,A2BC8D4_hR45_166_c_b_ch_ad:Cu-Mg-S-Zr,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_166_c_b_2c3h_ad:Cu-Mg-S-Zr, expected MgZr4(CuS11)2 to be MgZr4(CuS4)2" +mp-2232196,MgZr4(CuS4)2,-6.37925509,-1.2405154337,0.3484647349,0.3484647349,GGA,F-43m,A2BC8D4_cF60_216_ac_b_2e_e:Cu-Mg-S-Zr,15.0,"Invalid WP multiplicities - A2BC8D4_cF60_216_ac_b_5e_e:Cu-Mg-S-Zr, expected MgZr4(CuS10)2 to be MgZr4(CuS4)2" +mp-1022617,Mg6ZrCu,-2.7029580987,0.0781153513,0.1387603956,0.1387603956,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Zr, expected Mg12ZrCu to be Mg6ZrCu" +mp-1022665,Mg6ZrCu,-2.7129792644,0.0680941856,0.12873923,0.12873923,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Zr, expected Mg12ZrCu to be Mg6ZrCu" +mp-1027942,Mg14ZrCu,-2.1552905825,0.0353861675,0.0762940382,0.0762940382,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Zr, expected Mg18ZrCu to be Mg14ZrCu" +mp-1027917,Mg14ZrCu,-2.1568778325,0.0337989175,0.0747067882,0.0747067882,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Zr, expected Mg26ZrCu to be Mg14ZrCu" +mp-867965,Sm3MnAlS7,-6.5846258504,-1.9164176342,0.0,-0.0066774675,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Mn-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Mn-S-Sm +mp-972569,Sm(MnAl2)4,-5.7954763062,-0.3084567721,0.021295995,0.021295995,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Sm,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Sm +mp-1218255,Ta2Ti2Ni2C,-9.0932838879,-0.4796441527,0.0024609307,0.0024609307,GGA,I-4m2,AB2C2D2_tI56_119_i_2i_efg_hi:C-Ni-Ta-Ti,28.0,AB2C2D2_tI56_119_i_2i_efg_hi:C-Ni-Ta-Ti +mp-867754,Ta4Ni2C,-10.17410296,-0.4283816211,0.0,-0.009410282,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Ni-Ta,28.0,AB2C4_cF112_227_c_e_df:C-Ni-Ta +mp-1217832,TaTiNi6,-7.2154427237,-0.4111815079,0.0106043309,0.0106043309,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Ni-Ta-Ti,8.0,A6BC_hP8_187_jk_a_d:Ni-Ta-Ti +mp-557049,CdSbS2Cl,-3.928344675,-0.8936791963,0.0074510087,0.0074510087,GGA,Pnma,ABC2D_oP20_62_c_c_2c_c:Cd-Cl-S-Sb,20.0,"Invalid WP multiplicities - ABC2D_oP20_62_c_c_5c_c:Cd-Cl-S-Sb, expected CdSbS5Cl to be CdSbS2Cl" +mp-674477,MgZr4O9,-9.3609165211,-3.6243964517,0.0814372632,0.0814372632,GGA,C2/m,AB9C4_mC56_12_ad_9i_4i:Mg-O-Zr,28.0,"Invalid WP multiplicities - AB9C4_mC56_12_ac_18i_7i:Mg-O-Zr, expected MgZr7O18 to be MgZr4O9" +mp-1030618,Mg3ZrO4,-6.8029684313,-2.6610564781,0.3562015565,0.3562015565,GGA,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-Zr,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-Zr, expected Mg3ZrO7 to be Mg3ZrO4" +mp-1017000,MgZrO3,-7.840343098,-2.8427337352,0.667561955,0.667561955,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-Zr,5.0,AB3C_cP5_221_a_c_b:Mg-O-Zr +mp-1022582,CeMg6Zr,-2.9049252,0.1053835606,0.127598344,0.127598344,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Zr,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Zr +mp-1022581,CeMg6Zr,-2.9193098688,0.0909988919,0.1132136753,0.1132136753,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ce-Mg-Zr, expected CeMg12Zr to be CeMg6Zr" +mp-1028151,CeMg14Zr,-2.2612618231,0.0440325822,0.0658737459,0.0658737459,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Zr, expected CeMg18Zr to be CeMg14Zr" +mp-1028088,CeMg14Zr,-2.2242481169,0.0810462884,0.1028874522,0.1028874522,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Zr, expected CeMg26Zr to be CeMg14Zr" +mp-674528,Mg2Zr14O5,-8.2477349962,-1.2190772592,0.2534113754,0.2534113754,GGA,R3m,A2B5C14_hR63_160_2a_5a_14a:Mg-O-Zr,21.0,A2B5C14_hR63_160_2a_5a_14a:Mg-O-Zr +mp-675716,Mg2Zr5O12,-9.1603503818,-3.6182804984,0.0360958416,0.0360958416,GGA,P-1,A2B12C5_aP38_2_2i_12i_5i:Mg-O-Zr,38.0,"Invalid WP multiplicities - A2B12C5_aP38_2_3i_24i_10i:Mg-O-Zr, expected Mg3Zr10O24 to be Mg2Zr5O12" +mp-1234956,CeMgZr7O16,-9.3950427736,-3.5344710538,0.183079855,0.183079855,GGA,C2,ABC16D7_mC50_5_a_a_8c_a2b2c:Ce-Mg-O-Zr,25.0,"Invalid WP multiplicities - ABC16D7_mC50_5_a_a_16c_a2b4c:Ce-Mg-O-Zr, expected CeMgZr11O32 to be CeMgZr7O16" +mp-1233982,CeMgZr7O16,-9.43437992,-3.5738082002,0.1437427086,0.1437427086,GGA,Pmm2,ABC16D7_oP25_25_b_a_2e2f2g2h_acdi:Ce-Mg-O-Zr,25.0,"Invalid WP multiplicities - ABC16D7_oP25_25_b_a_4e4f4g4h_acd4i:Ce-Mg-O-Zr, expected CeMgZr19O32 to be CeMgZr7O16" +mp-1234905,CeMgZr7O16,-9.3633256632,-3.5027539434,0.2147969654,0.2147969654,GGA,P-4m2,ABC16D7_tP25_115_b_c_2j2k_agi:Ce-Mg-O-Zr,25.0,"Invalid WP multiplicities - ABC16D7_tP25_115_b_c_8j8k_a2g4i:Ce-Mg-O-Zr, expected CeMgZr21O64 to be CeMgZr7O16" +mp-1217219,Ti2Sb2Pb4O13,-7.1797304957,-2.2651339224,0.0,-0.0097367386,GGA,Imm2,A13B4C2D2_oI42_44_2a3b2e_cd_c_d:O-Pb-Sb-Ti,21.0,"Invalid WP multiplicities - A13B4C2D2_oI42_44_2a3b4e_cd_c_d:O-Pb-Sb-Ti, expected Ti2Sb2Pb4O21 to be Ti2Sb2Pb4O13" +mp-1104134,Nd(MnAl2)4,-5.8146817238,-0.3238497822,0.0029813585,0.0029813585,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Nd,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Nd +mp-864652,Nd3MnAlS7,-6.5989549712,-1.9183564306,0.0,-0.0088715147,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Mn-Nd-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Mn-Nd-S +mp-542029,Ti3Al2NiO,-6.9339547482,-0.9476043052,0.2410427299,0.2410427299,GGA+U,Fd-3m,A2BCD3_cF112_227_e_c_d_f:Al-Ni-O-Ti,28.0,A2BCD3_cF112_227_e_c_d_f:Al-Ni-O-Ti +mp-1209991,NaLiLu2F8,-6.3374999583000005,-4.0404015467,0.0,-0.0268117567,GGA,Cmcm,A8BC2D_oC48_63_2cgh_a_g_c:F-Li-Lu-Na,24.0,"Invalid WP multiplicities - A8BC2D_oC48_63_2cg2h_a_g_c:F-Li-Lu-Na, expected NaLiLu2F12 to be NaLiLu2F8" +mp-1211015,LiLuF2,-5.0943387712,-2.5311309408,0.5635521279,0.5635521279,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Lu,16.0,A2BC_tI32_141_h_c_d:F-Li-Lu +mp-561430,LiLuF4,-6.4247012817,-4.0787364056,0.0,-0.0544828833,GGA,C2/c,A4BC_mC24_15_2f_e_e:F-Li-Lu,12.0,"Invalid WP multiplicities - A4BC_mC24_15_5f_e_e:F-Li-Lu, expected LiLuF10 to be LiLuF4" +mp-23009,Ca2BrN,-5.1318830375,-1.6567022837,0.0,-0.1514505716,GGA,R-3m,AB2C_hR12_166_a_c_b:Br-Ca-N,4.0,AB2C_hR12_166_a_c_b:Br-Ca-N +mp-1227023,Ca6Br2N3Cl,-5.2050623042,-1.7052558562,0.0011532967,0.0011532967,GGA,P-3m1,A2B6CD3_hP12_164_d_c2d_a_bd:Br-Ca-Cl-N,12.0,"Invalid WP multiplicities - A2B6CD3_hP12_164_d_c4d_a_b2d:Br-Ca-Cl-N, expected Ca10Br2N5Cl to be Ca6Br2N3Cl" +mp-1111273,K2LiEuCl6,-4.793428702,-2.2456344499,0.0471440535,0.0471440535,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Eu-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Eu-K-Li +mp-1113264,Cs2AgBiI6,-2.856176253,-1.1257714553,0.0293417051,0.0293417051,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ag-Bi-Cs-I,10.0,ABC2D6_cF40_225_a_b_c_e:Ag-Bi-Cs-I +mp-1216306,UCoCuGe2,-6.5183593,-0.169361263,0.1058401044,0.1058401044,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Co-Cu-Ge-U,5.0,ABC2D_tI10_119_a_b_f_c:Co-Cu-Ge-U +mp-1216993,U2Co3CuGe4,-6.922562955,-0.2726538055,0.0416933517,0.0416933517,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Co-Cu-Ge-U,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Co-Cu-Ge-U, expected U2Co3CuGe8 to be U2Co3CuGe4" +mp-1102677,UGePd,-7.49254131,-0.4611014183,0.0,-0.0675864834,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Pd-U,12.0,ABC_oP12_62_c_c_c:Ge-Pd-U +mp-1220080,NiGe2Pd,-5.4212887713,-0.3697702213,0.0132991544,0.0132991544,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Ge-Ni-Pd,8.0,A2BC_oP8_26_ab_a_b:Ge-Ni-Pd +mp-3274,NiGePd,-5.6569309867,-0.462582205,0.0,-0.0411688867,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Ni-Pd,6.0,ABC_tP6_129_c_a_c:Ge-Ni-Pd +mp-1216885,U2NiGe2Pd,-7.5359265008,-0.4044441308,0.0170180317,0.0170180317,GGA,Pmc2_1,A2BCD2_oP12_26_ab_a_b_ab:Ge-Ni-Pd-U,12.0,A2BCD2_oP12_26_ab_a_b_ab:Ge-Ni-Pd-U +mp-4297,U(GePd)2,-6.63525435,-0.455808482,0.0112045424,0.0112045424,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Pd-U,5.0,A2B2C_tI10_139_e_d_a:Ge-Pd-U +mp-510582,NdNiSnH2,-4.868559061,-0.5998974495,0.0,-0.024067272,GGA,P6_3/mmc,A2BCD_hP10_194_f_a_c_d:H-Nd-Ni-Sn,10.0,A2BCD_hP10_194_f_a_c_d:H-Nd-Ni-Sn +mp-1209994,Nd6Ni2Sn,-5.2214655906,-0.3127178339,0.038322285,0.038322285,GGA,Immm,A6B2C_oI36_71_lmn_fg_ab:Nd-Ni-Sn,18.0,A6B2C_oI36_71_lmn_fg_ab:Nd-Ni-Sn +mp-1207129,Nd2Ni2Sn,-5.54130969,-0.520081674,0.0,-0.0076959911,GGA,Immm,A2B2C_oI10_71_e_g_c:Nd-Ni-Sn,5.0,A2B2C_oI10_71_e_g_c:Nd-Ni-Sn +mp-1104209,Nd(Ni2Sn)2,-5.5399425943,-0.4102514711,0.0,-0.0103602302,GGA,I4/mcm,AB4C2_tI28_140_a_l_h:Nd-Ni-Sn,14.0,AB4C2_tI28_140_a_l_h:Nd-Ni-Sn +mp-1192615,NdNi5Sn,-5.7149612636,-0.3323323082,0.0,-0.0063150478,GGA,P6_3/mmc,AB5C_hP28_194_ac_bdfk_f:Nd-Ni-Sn,28.0,AB5C_hP28_194_ac_bdfk_f:Nd-Ni-Sn +mp-1101908,Nd3Ni2Sn7,-5.078939325,-0.5846294381,0.0,-0.0159699795,GGA,Cmmm,A3B2C7_oC24_65_ah_g_c2gh:Nd-Ni-Sn,12.0,A3B2C7_oC24_65_ah_g_c2gh:Nd-Ni-Sn +mp-1220380,Nd3NiSn7,-4.9679934800000005,-0.590576938,0.0,-0.0017314164,GGA,Amm2,A3BC7_oC22_38_a2b_a_4a3b:Nd-Ni-Sn,11.0,A3BC7_oC22_38_a2b_a_4a3b:Nd-Ni-Sn +mp-510580,NdNiSnH,-5.1286070862,-0.6409615831000001,0.0,-0.0310373075,GGA,Pnma,ABCD_oP16_62_c_c_c_c:H-Nd-Ni-Sn,16.0,ABCD_oP16_62_c_c_c_c:H-Nd-Ni-Sn +mp-542879,Nd12Ni6Sn,-5.3505500753,-0.3027521213,4.34788e-05,4.34788e-05,GGA,Im-3,A12B6C_cI38_204_g_e_a:Nd-Ni-Sn,19.0,A12B6C_cI38_204_g_e_a:Nd-Ni-Sn +mp-1221008,Nd9Ni24Sn49,-4.9703816266,-0.3593373814,0.0117361157,0.0117361157,GGA,C2/m,A9B24C49_mC164_12_aefj_4i4j_d8i8j:Nd-Ni-Sn,82.0,"Invalid WP multiplicities - A9B24C49_mC164_12_ae2f2j_6i11j_c12i22j:Nd-Ni-Sn, expected Nd15Ni56Sn113 to be Nd9Ni24Sn49" +mp-20000,Nd(NiSn)2,-5.40069896,-0.5311860595,0.0,-0.0367696765,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Nd-Ni-Sn,10.0,"Invalid WP multiplicities - AB2C2_tP10_129_c_2a2c_b2c:Nd-Ni-Sn, expected NdNi4Sn3 to be Nd(NiSn)2" +mp-569860,Nd(NiSn)2,-5.349427182,-0.4799142815,0.051271778,0.0145021015,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Ni-Sn,5.0,AB2C2_tI10_139_a_d_e:Nd-Ni-Sn +mp-20490,NdNiSn,-5.4771448042,-0.6245261483,0.0,-0.0538711973,GGA,Pnma,ABC_oP12_62_c_c_c:Nd-Ni-Sn,12.0,ABC_oP12_62_c_c_c:Nd-Ni-Sn +mp-1113070,Cs2CuBiI6,-2.926994939,-1.0699250746,0.0619039108,0.0619039108,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Cu-I,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Cs-Cu-I +mp-1220531,Nd(VFe5)2,-8.3097134054,-0.0300078921,0.048950094,0.048950094,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Nd-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Nd-V +mp-1220136,NdV2(FeCo)5,-7.803031307699999,-0.0470578771,0.0715456425,0.0715456425,GGA,Imm2,A5B5CD2_oI26_44_a2c_ae_b_2b:Co-Fe-Nd-V,13.0,A5B5CD2_oI26_44_a2c_ae_b_2b:Co-Fe-Nd-V +mp-1214618,Ba3CdIr2O9,-6.66219839,-2.0704063006,0.0,-0.0624309726,GGA,C2/c,A3BC2D9_mC60_15_ef_a_f_e4f:Ba-Cd-Ir-O,30.0,A3BC2D9_mC60_15_ef_c_f_e4f:Ba-Cd-Ir-O +mp-696057,LiMg4H13Os2,-4.1926507385,-0.4491399129,1.65245e-05,1.65245e-05,GGA,P6_3/mmc,A13BC4D2_hP40_194_b2k_c_ef_f:H-Li-Mg-Os,40.0,A13BC4D2_hP40_194_b2k_c_ef_f:H-Li-Mg-Os +mp-1210819,LiMg2H7Os,-4.0975421591,-0.453366458,5.7745e-06,5.7745e-06,GGA,P6_3/mmc,A7BC2D_hP22_194_ck_b_f_a:H-Li-Mg-Os,22.0,A7BC2D_hP22_194_ck_b_f_a:H-Li-Mg-Os +mp-642996,Li4H6Os,-4.0666058259,-0.5012044471,0.0,-0.1408188586,GGA,R-3c,A6B4C_hR66_167_f_ae_b:H-Li-Os,22.0,A6B4C_hR66_167_f_ae_b:H-Li-Os +mp-9522,K(ThSe3)2,-5.8957719933,-1.7942626252,0.0,-0.0859495147,GGA,Immm,AB6C2_oI18_71_a_em_f:K-Se-Th,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2em_f:K-Se-Th, expected K(ThSe4)2 to be K(ThSe3)2" +mp-568904,KTh(SbSe3)2,-4.97103262,-1.1952597657,0.0,-0.0208971867,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:K-Sb-Se-Th,40.0,"Invalid WP multiplicities - AB2C6D_mP40_14_e_4e_17e_e:K-Sb-Se-Th, expected KThSb4Se17 to be KTh(SbSe3)2" +mp-1208297,Th2SbSe2,-5.151579348,0.0381287911,1.7102401442,1.7102401442,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Sb-Se-Th,5.0,AB2C2_tP5_123_a_g_g:Sb-Se-Th +mp-1019359,ThSbSe,-6.4936019067,-1.4806782508,0.0,-0.0088364879,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sb-Se-Th,6.0,ABC_tP6_129_a_c_c:Sb-Se-Th +mp-1079075,YGa2Pd,-5.233662385,-0.8080261429000001,0.0,-0.0399164007,GGA,Cmcm,A2BC_oC16_63_f_c_c:Ga-Pd-Y,8.0,A2BC_oC16_63_f_c_c:Ga-Pd-Y +mp-1101849,YGaPd,-5.7889832325,-0.8975002506,0.0,-0.0553474683,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Pd-Y,12.0,ABC_oP12_62_c_c_c:Ga-Pd-Y +mp-1216283,Y6Ga17Pd5,-4.8416026446,-0.6924644978000001,0.0,-0.0007383879,GGA,C2/m,A17B5C6_mC56_12_a8i_d2i_3i:Ga-Pd-Y,28.0,"Invalid WP multiplicities - A17B5C6_mC56_12_a12i_c3i_4i:Ga-Pd-Y, expected Y8Ga25Pd7 to be Y6Ga17Pd5" +mp-5376,Y4Ga12Pd,-4.5796089947,-0.6159079045,0.0,-0.0326464173,GGA,Im-3m,A12BC4_cI34_229_de_a_c:Ga-Pd-Y,17.0,A12BC4_cI34_229_de_a_c:Ga-Pd-Y +mp-1105559,YGaPd2,-5.861550545,-0.8979678560000001,0.0,-0.0514961285,GGA,Pnma,AB2C_oP16_62_c_d_c:Ga-Pd-Y,16.0,AB2C_oP16_62_c_d_c:Ga-Pd-Y +mp-1095719,YGaPd2,-3.7034175275,1.2601651615,2.1581330175,2.106636889,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Ga-Pd-Y +mp-1097659,Y2GaPd,-3.488563065,1.7966669498,2.5858551975,2.5858551975,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Ga-Pd-Y +mp-1226593,CeY(GaPd2)2,-5.7522797537,-0.8553698096000001,0.0,-0.0027219175,GGA,Pmc2_1,AB2C4D_oP16_26_a_ab_2c_b:Ce-Ga-Pd-Y,16.0,"Invalid WP multiplicities - AB2C4D_oP16_26_a_ab_3c_b:Ce-Ga-Pd-Y, expected CeY(GaPd3)2 to be CeY(GaPd2)2" +mp-1106227,Sr3(GaP2)2,-4.5142008694,-0.8722139326,0.0,-0.064832238,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Ga-P-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Ga-P-Sr +mp-10096,Na3Sr3GaP4,-3.844220485,-0.7790057314000001,0.0,-0.03617773,GGA,P6_3mc,AB3C4D3_hP22_186_b_c_bc_c:Ga-Na-P-Sr,22.0,"Invalid WP multiplicities - AB3C4D3_hP22_186_b_c_2b2c_c:Ga-Na-P-Sr, expected Na3Sr3GaP8 to be Na3Sr3GaP4" +mp-555940,Dy2Te5O13,-6.6595223045,-2.1976694849,0.0,-0.0121792027,GGA,P-1,A2B13C5_aP40_2_2i_13i_5i:Dy-O-Te,40.0,"Invalid WP multiplicities - A2B13C5_aP40_2_3i_25i_8i:Dy-O-Te, expected Dy3Te8O25 to be Dy2Te5O13" +mp-16037,Dy2TeO2,-7.7830986,-3.3330472008,0.0,-0.105548696,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Dy-O-Te,5.0,A2B2C_tI10_139_e_d_a:Dy-O-Te +mp-768313,Dy2TeO6,-7.6977642189,-3.0269851255,0.0,-0.2022335017,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Dy-O-Te,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Dy-O-Te, expected Dy5TeO21 to be Dy2TeO6" +mp-755591,Dy2TeO6,-7.629422532199999,-2.9586434388,0.0683416867,-0.133891815,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Dy-O-Te,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Dy-O-Te, expected Dy2TeO16 to be Dy2TeO6" +mp-769039,Dy2TeO6,-7.6909093874,-3.020130294,0.0068548315,-0.1953786702,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Dy-O-Te,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_3e2f_15g_a2d:Dy-O-Te, expected Dy3TeO18 to be Dy2TeO6" +mp-10251,LiDyO2,-7.3874750662,-3.285203284,0.00704382,-0.005417135,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Dy-Li-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Dy-Li-O, expected LiDyO5 to be LiDyO2" +mp-976726,LiDyO2,-7.3945188862,-3.292247104,0.0,-0.012460955,GGA,Pnma,ABC2_oP16_62_c_c_2c:Dy-Li-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_5c:Dy-Li-O, expected LiDyO5 to be LiDyO2" +mp-1210935,Li3Dy3(TeO6)2,-7.0339595568,-2.7742592847000003,0.0,-0.0315969563,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Dy-Li-O-Te,80.0,A3B3C12D2_cI160_230_c_d_h_a:Dy-Li-O-Te +mp-558224,Dy2(TeO3)3,-6.9867062353,-2.4750141095,0.0,-0.0156542297,GGA,P2_1/c,A2B9C3_mP112_14_4e_18e_6e:Dy-O-Te,112.0,"Invalid WP multiplicities - A2B9C3_mP112_14_14e_72e_22e:Dy-O-Te, expected Dy7Te11O36 to be Dy2(TeO3)3" +mp-756897,DyTe3O8,-6.4699555383,-2.0024376875,0.0674010128,0.0674010128,GGA,C2/c,AB8C3_mC48_15_e_4f_af:Dy-O-Te,24.0,"Invalid WP multiplicities - AB8C3_mC48_15_e_13f_a2f:Dy-O-Te, expected DyTe5O26 to be DyTe3O8" +mp-1185308,LiDyO3,-6.53206,-2.2609048319,0.4125284282,0.4125284282,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Dy-Li-O,5.0,ABC3_cP5_221_a_b_c:Dy-Li-O +mp-729275,Dy2Te4O11,-6.7533798235,-2.2710049366,0.040865276,0.040865276,GGA,P1,A2B11C4_aP34_1_4a_22a_8a:Dy-O-Te,34.0,A2B11C4_aP34_1_4a_22a_8a:Dy-O-Te +mp-510342,Dy2Te4O11,-6.7896191874,-2.3072443005,0.0046259122,0.0046259122,GGA,C2/c,A2B11C4_mC68_15_f_e5f_2f:Dy-O-Te,34.0,"Invalid WP multiplicities - A2B11C4_mC68_15_f_2e17f_4f:Dy-O-Te, expected Dy(Te2O9)2 to be Dy2Te4O11" +mp-1214304,Ca3Tm2(GeO4)3,-7.5362322756,-3.1263413463,0.0,-0.0262709778,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Tm,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Tm +mp-1227267,CaTm2(GeO3)4,-7.5204625608,-2.8462706302000003,0.0,-0.0002112493,GGA,Cmme,AB4C12D2_oC76_67_c_o_mn2o_ae:Ca-Ge-O-Tm,38.0,"Invalid WP multiplicities - AB4C12D2_oC76_67_c_o_3m2n9o_ae:Ca-Ge-O-Tm, expected CaTm2(Ge2O23)2 to be CaTm2(GeO3)4" +mp-1213003,Eu2CoPtO6,-8.5190359605,-2.1816772623,0.0214007569,0.0214007569,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Eu-O-Pt,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Eu-O-Pt +mp-1225191,Fe3Rh3S8,-6.4299670643,-0.6732109089,0.1050637032,0.1050637032,GGA,R-3m,A3B3C8_hR42_166_ac_d_ch:Fe-Rh-S,14.0,"Invalid WP multiplicities - A3B3C8_hR42_166_ac_d_2c2h:Fe-Rh-S, expected Fe3Rh3S16 to be Fe3Rh3S8" +mp-10754,Fe(RhS2)2,-6.3726850436,-0.6949084125,0.0772679076,0.0772679076,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Fe-Rh-S,14.0,AB2C4_cF56_227_a_d_e:Fe-Rh-S +mp-1226496,CrFeRhS4,-6.7780268821,-0.7732874511000001,0.0760550663,0.0760550663,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Fe-Rh-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h2i:Cr-Fe-Rh-S, expected CrFeRhS8 to be CrFeRhS4" +mp-1226375,Cr3Rh3S8,-6.8303958643,-0.8201340818,0.0493919857,0.0493919857,GGA,P-1,A3B3C8_aP14_2_ai_bi_4i:Cr-Rh-S,14.0,"Invalid WP multiplicities - A3B3C8_aP14_2_ai_bi_8i:Cr-Rh-S, expected Cr3Rh3S16 to be Cr3Rh3S8" +mp-673875,Fe2RhS4,-6.4870289107,-0.6512932311,0.1330796731,0.1330796731,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Fe-Rh-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h2i:Fe-Rh-S, expected Fe2RhS10 to be Fe2RhS4" +mp-2218943,Dy2MgCr2O8,-8.2064364892,-2.8454012308000003,0.1576774337,0.1576774337,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Dy-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_7c:Cr-Dy-Mg-O, expected Dy2MgCr2O14 to be Dy2MgCr2O8" +mp-1191519,Ir2Os(NCl)10,-5.57799439,0.1069861161,0.6308610896,0.6308610896,GGA,C2/m,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Os,23.0,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Os +mp-1192349,Ir2Os(NCl)10,-4.8984804548,0.7865000513,1.3103750248,1.3103750248,GGA,C2/m,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Os,23.0,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Os +mp-765473,CoTe2O5,-6.2314070825,-1.4653604403,0.0168556026,0.0168556026,GGA+U,Pbcn,AB5C2_oP32_60_c_c2d_d:Co-O-Te,32.0,"Invalid WP multiplicities - AB5C2_oP32_60_c_2c6d_d:Co-O-Te, expected Co(TeO7)2 to be CoTe2O5" +mp-781595,CoTe2O5,-6.2378011773,-1.4717545351,0.0104615077,0.0104615077,GGA+U,Pnma,AB5C2_oP64_62_d_2c4d_2cd:Co-O-Te,64.0,"Invalid WP multiplicities - AB5C2_oP64_62_d_8c13d_5c4d:Co-O-Te, expected Co2Te13O34 to be CoTe2O5" +mp-863436,CoTe2O5,-6.2074551255,-1.4414084832,0.0408075596,0.0408075596,GGA+U,P4_2/nbc,AB5C2_tP64_133_ac_j2k_k:Co-O-Te,64.0,"Invalid WP multiplicities - AB5C2_tP64_133_3a4c_4j13k_k:Co-O-Te, expected Co7(TeO15)4 to be CoTe2O5" +mp-562450,Co8Te(AsO8)2,-6.953038753,-1.4539608106,0.0234280684,0.0234280684,GGA+U,Cmce,A2B8C16D_oC108_64_f_2e2f_4f2g_a:As-Co-O-Te,54.0,"Invalid WP multiplicities - A2B8C16D_oC108_64_f_6e7f_16f11g_a:As-Co-O-Te, expected Co26Te(AsO38)2 to be Co8Te(AsO8)2" +mp-768381,CoTeO4,-6.3663137092,-1.3599172869,0.0949919404,0.0290039458,GGA+U,P2/m,AB4C_mP6_10_b_mn_c:Co-O-Te,12.0,AB4C_mP6_10_b_mn_c:Co-O-Te +mp-1226075,CoTeO4,-6.4613056496,-1.4549092274,0.0,-0.0659879946,GGA+U,P2_1/c,AB4C_mP12_14_a_2e_d:Co-O-Te,24.0,AB4C_mP12_14_a_2e_d:Co-O-Te +mp-756501,CoTeO4,-6.3308535167,-1.3244570944,0.1304521329,0.0644641383,GGA+U,Imma,AB4C_oI24_74_a_hi_c:Co-O-Te,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_3h4i_c:Co-O-Te, expected CoTeO14 to be CoTeO4" +mp-645717,Co3TeO6,-6.840789082,-1.4259499274,0.0,-0.0389976888,GGA+U,C2/c,A3B6C_mC120_15_e4f_9f_af:Co-O-Te,60.0,"Invalid WP multiplicities - A3B6C_mC120_15_2e14f_32f_2c2f:Co-O-Te, expected Co15Te3O32 to be Co3TeO6" +mp-19113,CoTeO3,-6.424383083,-1.4060451186,0.0472107255,0.0472107255,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Te,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_4c4d_c:Co-O-Te, expected CoTeO12 to be CoTeO3" +mp-985545,CoTeO3,-5.758078242,-0.7397402776,0.7135155665,0.7135155665,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Te,5.0,AB3C_cP5_221_b_c_a:Co-O-Te +mp-1042498,CoTe2O7,-5.868825374,-1.066650318,0.3433493642,0.3433493642,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-Te,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_2e_17e_7e:Co-O-Te, expected Co2Te7O17 to be CoTe2O7" +mp-1290856,Co3TeO8,-6.5273035062,-1.1904894256,0.0777887702,0.0777887702,GGA+U,P1,A3B8C_aP24_1_6a_16a_2a:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_aP24_2_ab2di_16i_i:Co-O-Te, expected Co3TeO16 to be Co3TeO8" +mp-1305634,Co3TeO8,-6.5027101862,-1.1658961056,0.1023820902,0.1023820902,GGA+U,P1,A3B8C_aP24_1_6a_16a_2a:Co-O-Te,24.0,A3B8C_aP24_1_6a_16a_2a:Co-O-Te +mp-1312235,Co3TeO8,-6.4456358058,-1.1088217251,0.1594564706,0.1594564706,GGA+U,P-1,A3B8C_aP12_2_bce_4i_f:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_aP12_2_2b2c2e_6i_f:Co-O-Te, expected Co6TeO12 to be Co3TeO8" +mp-1275718,Co3TeO8,-6.5481849238,-1.2113708431,0.0569073527,0.0569073527,GGA+U,C2/m,A3B8C_mC24_12_ae_2ij_b:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_mC24_12_2a2f_2i2j_b:Co-O-Te, expected Co6TeO12 to be Co3TeO8" +mp-1302713,Co3TeO8,-6.5343426579,-1.1975285772,0.0707496185,0.0707496185,GGA+U,P2/c,A3B8C_mP24_13_ace_4g_e:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_mP24_13_2acf_8g_f:Co-O-Te, expected Co4TeO16 to be Co3TeO8" +mp-1319322,Co3TeO8,-6.5361612154,-1.1993471347,0.068931061,0.068931061,GGA+U,C2/c,A3B8C_mC48_15_abc_4f_d:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_mC48_15_2ab2c_10f_d:Co-O-Te, expected Co5TeO20 to be Co3TeO8" +mp-1313604,Co3TeO8,-6.5159351508,-1.1791210701,0.0891571256,0.0891571256,GGA+U,C2/c,A3B8C_mC48_15_abe_4f_e:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_mC48_15_2c2d2e_9f_e:Co-O-Te, expected Co6TeO18 to be Co3TeO8" +mp-761512,Co3TeO8,-6.353749925,-1.0169358443,0.2513423515,0.2513423515,GGA+U,R-3m,A3B8C_hR36_166_d_ch_a:Co-O-Te,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2c3h_a:Co-O-Te, expected Co3TeO22 to be Co3TeO8" +mp-753013,Co3TeO8,-6.5510448733,-1.2142307926,0.0540474031,0.0540474031,GGA+U,R-3m,A3B8C_hR36_166_d_ch_b:Co-O-Te,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_c2h_b:Co-O-Te, expected Co3TeO14 to be Co3TeO8" +mp-867653,Co3TeO8,-6.3704931921,-1.0336791114,0.2345990844,0.2345990844,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-Te,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-Te, expected Co3TeO30 to be Co3TeO8" +mp-771020,Co5Te3O16,-6.3617766267,-1.1901713752,0.1714223364,0.1714223364,GGA+U,Cm,A5B16C3_mC48_8_3ab_8a4b_ab:Co-O-Te,24.0,"Invalid WP multiplicities - A5B16C3_mC48_8_3ab_8a6b_ab:Co-O-Te, expected Co5Te3O20 to be Co5Te3O16" +mp-18855,Co2Te3O8,-6.3422205469,-1.4791387808,0.0,-0.0191971022,GGA+U,C2/c,A2B8C3_mC52_15_f_4f_ef:Co-O-Te,26.0,"Invalid WP multiplicities - A2B8C3_mC52_15_f_5f_ef:Co-O-Te, expected Co2Te3O10 to be Co2Te3O8" +mp-562042,Co6Te5O16,-6.5250317823,-1.4319408335,0.0088528558,0.0088528558,GGA+U,Pnma,A6B16C5_oP108_62_3d_4c6d_3cd:Co-O-Te,108.0,"Invalid WP multiplicities - A6B16C5_oP108_62_18d_14c45d_10c5d:Co-O-Te, expected Co9Te5O26 to be Co6Te5O16" +mp-1198962,CoTe6O13,-5.9895530675,-1.4757977474,0.0144191768,0.0144191768,GGA+U,R-3,AB13C6_hR120_148_c_c4f_2f:Co-O-Te,40.0,AB13C6_hR120_148_c_c4f_2f:Co-O-Te +mp-1202680,Co3(TeO4)2,-6.1832919517,-1.0152092701,0.4329255521,0.4329255521,GGA+U,P6_3mc,A3B8C2_hP52_186_d_a3cd_bc:Co-O-Te,52.0,A3B8C2_hP52_186_d_a3cd_bc:Co-O-Te +mp-1287666,Co4TeO8,-6.7837557231000005,-1.3106721259,0.0618054806,0.0618054806,GGA+U,P-1,A4B8C_aP13_2_abce_4i_h:Co-O-Te,13.0,"Invalid WP multiplicities - A4B8C_aP13_2_abce_6i_h:Co-O-Te, expected Co4TeO12 to be Co4TeO8" +mp-755872,Co4TeO8,-6.7639593646,-1.2908757674,0.081601839,0.081601839,GGA+U,C2/m,A4B8C_mC52_12_adefi_4i2j_bc:Co-O-Te,26.0,"Invalid WP multiplicities - A4B8C_mC52_12_ac2e2fi_6i7j_bd:Co-O-Te, expected Co6TeO20 to be Co4TeO8" +mp-1224822,Ga2SeS,-4.2700559188,-0.8479175714,0.0174022644,0.0174022644,GGA,P-3m1,A2BC_hP8_164_2d_d_d:Ga-S-Se,8.0,A2BC_hP8_164_2d_d_d:Ga-S-Se +mp-1224843,GaMo4(SeS)4,-6.9220136277,-1.0035411784,0.0256747425,0.0256747425,GGA,F-43m,AB4C4D4_cF52_216_a_e_e_e:Ga-Mo-S-Se,13.0,AB4C4D4_cF52_216_a_e_e_e:Ga-Mo-S-Se +mp-1225972,Er8Mn3Mo5O28,-8.8257903714,-2.9902601254,0.0,-0.0134142637,GGA+U,C2,A8B3C5D28_mC88_5_4c_a2b_a2c_14c:Er-Mn-Mo-O,44.0,A8B3C5D28_mC88_5_4c_a2b_a2c_14c:Er-Mn-Mo-O +mp-1373336,Mg2TaMoO6,-8.3750541435,-2.8166421328,0.0761512681,0.0761512681,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Mo-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Mg-Mo-O-Ta, expected Mg3TaMoO18 to be Mg2TaMoO6" +mp-18240,Tl2Cu2SnS4,-4.25493882,-0.5350420471,0.0281107333,0.0281107333,GGA,Ibam,A2B4CD2_oI36_72_f_k_a_j:Cu-S-Sn-Tl,18.0,A2B4CD2_oI36_72_f_k_a_j:Cu-S-Sn-Tl +mp-1211098,LiCrCdF6,-5.5784905133,-2.9169645243,0.0,-0.0205727944,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cd-Cr-F-Li,18.0,ABC6D_hP18_163_b_c_i_d:Cd-Cr-F-Li +mp-1214068,Cr3CdF6,-5.855947441,-1.7208568435,0.8211623990000001,0.8211623990000001,GGA+U,P-1,AB3C6_aP10_2_a_bce_3i:Cd-Cr-F,10.0,AB3C6_aP10_2_a_bce_3i:Cd-Cr-F +mp-559161,CrCdF6,-5.3702707537,-2.6146693744,0.0,-0.0539957625,GGA+U,R-3,ABC6_hR24_148_a_b_f:Cd-Cr-F,8.0,ABC6_hR24_148_a_b_f:Cd-Cr-F +mp-1016600,Mg6NbBi,-2.8200132169,0.1229210919,0.2044363617,0.2044363617,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Nb, expected Mg12NbBi to be Mg6NbBi" +mp-1016593,Mg6NbBi,-2.8387003412,0.1042339675,0.1857492373,0.1857492373,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Nb, expected Mg12NbBi to be Mg6NbBi" +mp-1048411,Mg2Nb2BiO8,-7.8657710592,-2.7259888285,0.1189699522,0.1189699522,GGA,C2/c,AB2C2D8_mC52_15_e_f_f_4f:Bi-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_15_e_f_f_5f:Bi-Mg-Nb-O, expected Mg2Nb2BiO10 to be Mg2Nb2BiO8" +mp-1222190,Mg2Nb3Bi3O14,-7.7629011127,-2.5683745415,0.0560093108,0.0560093108,GGA,R-3m,A3B2C3D14_hR66_166_d_ab_e_c2h:Bi-Mg-Nb-O,22.0,"Invalid WP multiplicities - A3B2C3D14_hR66_166_d_ab_e_c9h:Bi-Mg-Nb-O, expected Mg2Nb3Bi3O56 to be Mg2Nb3Bi3O14" +mp-1026528,Mg14NbBi,-2.2156335613,0.0559736181,0.1090231624,0.1090231624,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Nb, expected Mg18NbBi to be Mg14NbBi" +mp-1026523,Mg14NbBi,-2.2284390675,0.0431681119,0.0962176561,0.0962176561,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Nb, expected Mg26NbBi to be Mg14NbBi" +mp-1033354,Mg6NbBiO8,-6.195786185,-2.250974675,0.5990493012,0.5990493012,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Bi-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Bi-Mg-Nb-O, expected Mg6NbBiO12 to be Mg6NbBiO8" +mp-1033359,Mg6NbBiO8,-6.2359155725,-2.2911040625,0.5589199137,0.5589199137,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Bi-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Bi-Mg-Nb-O, expected Mg6NbBiO12 to be Mg6NbBiO8" +mp-1033816,Mg14NbBiO16,-6.242437975,-2.6332900297,0.3187421081,0.3187421081,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Bi-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Bi-Mg-Nb-O, expected Mg18NbBiO20 to be Mg14NbBiO16" +mp-1033832,Mg14NbBiO16,-6.2504725991,-2.6413246537,0.310707484,0.310707484,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Bi-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Bi-Mg-Nb-O, expected Mg30NbBiO32 to be Mg14NbBiO16" +mp-1038552,Mg30NbBiO32,-6.2851089114,-2.8437927484000003,0.1592434701,0.1592434701,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Bi-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Bi-Mg-Nb-O, expected Mg90NbBiO80 to be Mg30NbBiO32" +mp-1038568,Mg30NbBiO32,-6.289199703,-2.84788354,0.1551526786,0.1551526786,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Bi-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Bi-Mg-Nb-O, expected Mg110NbBiO72 to be Mg30NbBiO32" +mp-2218181,MgNbBi3O7,-6.876021805,-2.0551990168,0.1804562956,0.1804562956,GGA,P1,A3BCD7_aP12_1_3a_a_a_7a:Bi-Mg-Nb-O,12.0,A3BCD7_aP12_1_3a_a_a_7a:Bi-Mg-Nb-O +mp-2227299,MgNbBi3O7,-6.7990677492,-1.9782449609,0.2574103515,0.2574103515,GGA,P1,A3BCD7_aP12_1_3a_a_a_7a:Bi-Mg-Nb-O,12.0,A3BCD7_aP12_1_3a_a_a_7a:Bi-Mg-Nb-O +mp-2218162,MgNbBi3O7,-6.8809160467,-2.0600932584,0.175562054,0.175562054,GGA,Cm,A3BCD7_mC24_8_3a_a_a_7a:Bi-Mg-Nb-O,12.0,A3BCD7_mC24_8_3a_a_a_7a:Bi-Mg-Nb-O +mp-1021462,BaMg6Ti,-2.1766661694,0.2503522377,0.3055903264,0.3055903264,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Ti, expected BaMg12Ti to be BaMg6Ti" +mp-1099296,BaMg6Ti,-2.1700405738,0.2569778333,0.312215922,0.312215922,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Ti,8.0,AB6C_oC16_38_a_abde_b:Ba-Mg-Ti +mp-1021520,BaMg6Ti,-2.2264732063,0.2005452008,0.2557832895,0.2557832895,GGA,P-6m2,AB6C_hP8_187_a_jk_d:Ba-Mg-Ti,8.0,AB6C_hP8_187_a_jk_d:Ba-Mg-Ti +mp-9668,Ba3TiS5,-5.9625137111,-2.1475508032,0.0033715922,0.0033715922,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Ba-S-Ti,18.0,A3B5C_tI36_140_ah_cl_b:Ba-S-Ti +mp-1026488,BaMg14Ti,-1.8848766494,0.1287725792,0.1694381703,0.1694381703,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Ti, expected BaMg18Ti to be BaMg14Ti" +mp-1026436,BaMg14Ti,-1.8852274969,0.1284217317,0.1690873228,0.1690873228,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Ti, expected BaMg26Ti to be BaMg14Ti" +mp-2217999,Ba2Mg(TiS3)2,-6.0200247245,-1.8338508005,0.1200586182,0.1200586182,GGA,Cm,A2BC6D2_mC22_8_2a_a_2a2b_2a:Ba-Mg-S-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_8_2a_a_2a4b_2a:Ba-Mg-S-Ti, expected Ba2Mg(TiS5)2 to be Ba2Mg(TiS3)2" +mp-2224773,Ba2Mg(TiS3)2,-6.0009072709,-1.8147333469,0.1391760718,0.1391760718,GGA,C2/m,A2BC6D2_mC22_12_i_b_ij_ac:Ba-Mg-S-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_12_i_a_2i2j_bc:Ba-Mg-S-Ti, expected Ba2Mg(TiS6)2 to be Ba2Mg(TiS3)2" +mp-2226142,Ba2Mg(TiS3)2,-5.8787256727,-1.6925517487,0.26135767,0.26135767,GGA,P3m1,A2BC6D2_hP11_156_ab_a_2d_2c:Ba-Mg-S-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_hP11_156_ab_a_5d_2c:Ba-Mg-S-Ti, expected Ba2MgTi2S15 to be Ba2Mg(TiS3)2" +mp-2217621,Ba2Mg(TiS3)2,-5.4865902364,-1.3004163123,0.6534931064,0.6534931064,GGA,P-6m2,A2BC6D2_hP11_187_cf_a_jk_g:Ba-Mg-S-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_hP11_187_cf_a_2j3k_g:Ba-Mg-S-Ti, expected Ba2MgTi2S15 to be Ba2Mg(TiS3)2" +mp-2231502,Ba6Mg(TiS5)2,-5.6662072026,-1.9678065504,0.14447328,0.14447328,GGA,P1,A6BC10D2_aP19_1_6a_a_10a_2a:Ba-Mg-S-Ti,19.0,A6BC10D2_aP19_1_6a_a_10a_2a:Ba-Mg-S-Ti +mp-7073,BaTiS3,-6.390798784,-1.9460354725,0.006230597,0.006230597,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ba-S-Ti,10.0,AB3C_hP10_194_c_h_a:Ba-S-Ti +mp-17908,Ba2TiS4,-6.1396378043,-2.0997461808,0.0,-0.0241651386,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ba-S-Ti,28.0,A2B4C_oP28_62_2c_2cd_c:Ba-S-Ti +mp-560181,Cr3InO8,-7.7980641533,-1.8577028342,0.103976263,0.103976263,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-In-O,12.0,"Invalid WP multiplicities - A3BC8_mC24_12_ai_d_4i3j:Cr-In-O, expected Cr3InO20 to be Cr3InO8" +mp-1235218,LiCr4In4O12,-7.2666402138,-1.9862539185,0.1902021597,0.1902021597,GGA+U,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Cr-In-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Cr-In-Li-O +mp-1236597,LiCr4In4O12,-7.2699304538,-1.9895441585,0.1869119197,0.1869119197,GGA+U,P1,A4B4CD12_aP21_1_4a_4a_a_12a:Cr-In-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:Cr-In-Li-O +mp-1236653,LiCr4In4O12,-7.257005089,-1.9766187937,0.1998372844,0.1998372844,GGA+U,Pm,A4B4CD12_mP21_6_2c_2a2b_a_2a2b4c:Cr-In-Li-O,21.0,A4B4CD12_mP21_6_2c_2a2b_a_2a2b4c:Cr-In-Li-O +mp-756147,CrInO3,-7.5802655195,-2.1313060527,0.0512829045,0.0512829045,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-In-O,20.0,ABC3_oP20_62_a_c_cd:Cr-In-O +mp-1218468,Sr7Ca(IrO6)2,-6.8073242605,-2.6769066719,0.0019227982,0.0019227982,GGA,R32,AB2C12D7_hR66_155_a_c_2f_bde:Ca-Ir-O-Sr,22.0,"Invalid WP multiplicities - AB2C12D7_hR66_155_a_c_3f_bde:Ca-Ir-O-Sr, expected Sr7Ca(IrO9)2 to be Sr7Ca(IrO6)2" +mp-1195131,Sr3CaIr2O9,-6.9976351817,-2.3795587149,0.0,-0.0030646133,GGA,P2_1/c,AB2C9D3_mP60_14_ab_2e_9e_3e:Ca-Ir-O-Sr,60.0,AB2C9D3_mP60_14_ab_2e_9e_3e:Ca-Ir-O-Sr +mp-15002,Sr2CaIrO6,-6.9374405925,-2.5471252691,0.0,-0.1008448478,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ca-Ir-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ca-Ir-O-Sr +mp-1218864,Sr2Ca2IrO6,-6.8855056659,-2.7119826555,0.0212027957,0.0212027957,GGA,C2,A2BC6D2_mC44_5_abc_c_6c_abc:Ca-Ir-O-Sr,22.0,"Invalid WP multiplicities - A2BC6D2_mC44_5_abc_c_12c_ab2c:Ca-Ir-O-Sr, expected Sr3Ca2IrO12 to be Sr2Ca2IrO6" +mp-1218449,SrCa3IrO6,-6.9219358241,-2.7196758658,0.029775715,0.029775715,GGA,C2,A3BC6D_mC44_5_2a2bc_c_6c_c:Ca-Ir-O-Sr,22.0,"Invalid WP multiplicities - A3BC6D_mC44_5_2a2b2c_c_12c_c:Ca-Ir-O-Sr, expected SrCa4IrO12 to be SrCa3IrO6" +mp-559635,Sr3CaIrO6,-6.85855097,-2.7137649075,0.0,-0.020883049,GGA,R-3c,ABC6D3_hR66_167_a_b_f_e:Ca-Ir-O-Sr,22.0,ABC6D3_hR66_167_a_b_f_e:Ca-Ir-O-Sr +mp-13630,Rb3NaBe2F8,-5.2332546507,-3.3021985806,0.0,-0.0017420612,GGA,P-3m1,A2B8CD3_hP14_164_d_di_a_bd:Be-F-Na-Rb,14.0,"Invalid WP multiplicities - A2B8CD3_hP14_164_d_d2i_a_b2d:Be-F-Na-Rb, expected Rb5NaBe2F14 to be Rb3NaBe2F8" +mp-1215651,Zr3Fe(CuS4)2,-6.7049269471,-1.3189887061,0.0597461845,0.0597461845,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Fe-S-Zr,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Cu-Fe-S-Zr, expected Zr3Fe(CuS8)2 to be Zr3Fe(CuS4)2" +mp-1215638,Zr2FeS4,-7.5881741029,-1.5722852546,0.0125209586,0.0125209586,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Fe-S-Zr,7.0,AB4C2_mC14_8_a_4a_2a:Fe-S-Zr +mp-1207526,Zr6FeS2,-8.4638348719,-0.905043236,0.0,-0.0110458497,GGA,Pnnm,AB2C6_oP36_58_g_2g_6g:Fe-S-Zr,36.0,AB2C6_oP36_58_g_2g_6g:Fe-S-Zr +mp-556896,Ba4AgAuO6,-5.8201353158,-2.1982628133,0.0,-0.0291930603,GGA,Cmcm,ABC4D6_oC48_63_c_a_eg_efg:Ag-Au-Ba-O,24.0,"Invalid WP multiplicities - ABC4D6_oC48_63_c_a_2e2g_3e3f3g:Ag-Au-Ba-O, expected Ba8AgAuO18 to be Ba4AgAuO6" +mp-996983,AgAuO2,-4.4727301812,-0.4727763248,0.0,-0.0581422606,GGA,P2_1/c,ABC2_mP8_14_a_d_e:Ag-Au-O,8.0,ABC2_mP8_14_a_d_e:Ag-Au-O +mp-996980,AgAuO2,-4.4669282663,-0.4669744098,0.005801915,-0.0523403456,GGA,Pmna,ABC2_oP8_53_a_c_g:Ag-Au-O,8.0,ABC2_oP8_53_a_c_g:Ag-Au-O +mp-996977,AgAuO2,-4.4384804813,-0.4385266248,0.0342497,-0.0238925606,GGA,I4_122,ABC2_tI16_98_a_b_f:Ag-Au-O,8.0,ABC2_tI16_98_a_b_f:Ag-Au-O +mp-752678,AgAuO3,-4.1896760095,-0.0003751821,0.4186903635,0.4186903635,GGA,Cmcm,ABC3_oC40_63_2c_d_f2g:Ag-Au-O,20.0,"Invalid WP multiplicities - ABC3_oC40_63_4c_d_f4g:Ag-Au-O, expected Ag2AuO5 to be AgAuO3" +mp-776165,AgAuO3,-4.548984381,-0.3596835536,0.059381992,0.059381992,GGA,Fd-3m,ABC3_cF80_227_c_d_f:Ag-Au-O,20.0,ABC3_cF80_227_c_d_f:Ag-Au-O +mp-1097642,Ba2AgAu,-1.6575632275,0.8285337433000001,1.3304807631,1.3304807631,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Au-Ba,4.0,ABC2_oI8_71_a_b_e:Ag-Au-Ba +mp-755999,Rb2Be2O3,-5.8350645914,-2.3664988759,0.0117697907,-0.10724956,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:Be-O-Rb,14.0,A2B3C2_mP14_14_e_ae_e:Be-O-Rb +mp-755752,Rb2Be2O3,-5.8468343821,-2.3782686666,0.0,-0.1190193507,GGA,Pnma,A2B3C2_oP28_62_2c_cd_2c:Be-O-Rb,28.0,"Invalid WP multiplicities - A2B3C2_oP28_62_5c_3c2d_5c:Be-O-Rb, expected Rb5Be5O7 to be Rb2Be2O3" +mp-1345479,Rb2Be2O3,-5.8155884489,-2.3470227334,0.0312459332,-0.0877734175,GGA,P4_12_12,A2B3C2_tP28_92_b_ab_b:Be-O-Rb,28.0,"Invalid WP multiplicities - A2B3C2_tP28_92_b_4a5b_b:Be-O-Rb, expected RbBeO7 to be Rb2Be2O3" +mp-771976,Rb2Be2O3,-5.8155842611,-2.3470185455,0.0312501211,-0.0877692296,GGA,P4_32_12,A2B3C2_tP28_96_b_ab_b:Be-O-Rb,28.0,"Invalid WP multiplicities - A2B3C2_tP28_96_b_4a5b_b:Be-O-Rb, expected RbBeO7 to be Rb2Be2O3" +mp-28588,Na2BeO2,-5.4349577627,-2.1793895879,0.0,-0.0446188492,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Be-Na-O,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_2e_5e_4e:Be-Na-O, expected Na5Be2O4 to be Na2BeO2" +mp-755546,Na6BeO4,-4.6010032632,-1.7408833113000002,0.034635469,0.034635469,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Be-Na-O,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_9c_2b3c:Be-Na-O, expected Na27BeO11 to be Na6BeO4" +mp-28559,Na6Be8O11,-6.2428185376,-2.5522573174,0.0,-0.0032267849,GGA,P-1,A8B6C11_aP25_2_4i_3i_a5i:Be-Na-O,25.0,"Invalid WP multiplicities - A8B6C11_aP25_2_6i_3i_a7i:Be-Na-O, expected Na2Be4O5 to be Na6Be8O11" +mp-755789,Na2Be2O3,-5.9164407729,-2.3501632799,0.0955604005,0.0955604005,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Be-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Be-Na-O +mp-754663,Na2Be2O3,-5.9768978757,-2.4106203828,0.0351032976,0.0351032976,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Be-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Be-Na-O +mp-975394,RbBeO3,-4.961337694,-1.0493350798,0.7759267950000001,0.7759267950000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Rb,5.0,AB3C_cP5_221_b_c_a:Be-O-Rb +mp-976185,NaBeO3,-5.310983884,-1.3305830256,0.459261113,0.459261113,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Na-O,5.0,ABC3_cP5_221_b_a_c:Be-Na-O +mp-753443,NaBeO2,-5.821821865,-2.0829929698,0.1229181471,0.1229181471,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:Be-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_3e_3e_7f:Be-Na-O, expected Na3Be3O14 to be NaBeO2" +mp-560092,RbNa5Be8O11,-6.2257620588,-2.5488804875,0.0,-0.006281991,GGA,P-1,A8B5C11D_aP50_2_8i_5i_11i_i:Be-Na-O-Rb,50.0,"Invalid WP multiplicities - A8B5C11D_aP50_2_13i_10i_21i_i:Be-Na-O-Rb, expected RbNa10Be13O21 to be RbNa5Be8O11" +mp-1369347,RbNa5Be8O11,-3.9853897838,-0.3085082125,2.240372275,2.234090284,GGA,P-1,A8B5C11D_aP50_2_8i_5i_11i_i:Be-Na-O-Rb,50.0,"Invalid WP multiplicities - A8B5C11D_aP50_2_13i_10i_21i_i:Be-Na-O-Rb, expected RbNa10Be13O21 to be RbNa5Be8O11" +mp-1214458,BaAlCdF7,-5.5716574365,-3.5748781062,0.0013662538,0.0013662538,GGA,C2/c,ABCD7_mC80_15_f_f_ae_7f:Al-Ba-Cd-F,40.0,ABCD7_mC80_15_f_f_ce_7f:Al-Ba-Cd-F +mp-1190698,KBaSbSe3,-4.3199007775,-1.3788825175,0.0069089213,0.0069089213,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:Ba-K-Sb-Se,24.0,ABCD3_mP24_14_e_e_e_3e:Ba-K-Sb-Se +mp-531968,K2Ba3Sb4,-3.4942206353,-0.7726953382,0.1159743578,0.1159743578,GGA,P1,A3B2C4_aP72_1_24a_16a_32a:Ba-K-Sb,72.0,A3B2C4_aP72_1_24a_16a_32a:Ba-K-Sb +mp-1100403,KBaSb,-2.8888319067,-0.5027068643,0.3054185068,0.3054185068,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-K-Sb,3.0,ABC_cF12_216_a_c_b:Ba-K-Sb +mp-1207488,YbTiClO3,-7.3782817233,-3.0243312083,0.1584022654,0.1584022654,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:Cl-O-Ti-Yb,,AB3CD_mC24_12_i_3i_i_i:Cl-O-Ti-Yb +mp-561023,ThCd(MoO4)3,-8.2633352424,-2.3672197791,0.0,-0.0104033536,GGA+U,P6_3/m,AB3C12D_hP34_176_b_h_2hi_c:Cd-Mo-O-Th,34.0,"Invalid WP multiplicities - AB3C12D_hP34_176_b_h_9h6i_c:Cd-Mo-O-Th, expected ThCd(MoO21)3 to be ThCd(MoO4)3" +mp-1207259,Tb2Br2O,-5.021156594,-1.5568610798,1.0069781006,1.0069781006,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Tb,5.0,A2BC2_tP5_123_g_a_g:Br-O-Tb +mp-1193567,TbMoBrO4,-7.8685690082,-2.6085976675,0.0,-0.0153514045,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Tb,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Mo-O-Tb +mp-1105276,Gd2TiZnO6,-10.0690887245,-3.3703274871,0.051316804,0.051316804,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Gd-O-Ti-Zn,20.0,A2B6CD_mP20_14_e_3e_a_b:Gd-O-Ti-Zn +mp-570399,Nd(CrSi)2,-7.319024308,-0.3340486215,0.1506307208,0.1506307208,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Nd-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Nd-Si +mp-1206310,NdCr2Si2C,-7.7651649783,-0.4062409908,0.0021607295,0.0021607295,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-Nd-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-Nd-Si +mp-673663,CuGe2P3,-4.8507810217,0.0800806283,0.1493647075,0.1493647075,GGA,Cm,AB2C3_mC24_8_2a_4a_6a:Cu-Ge-P,12.0,AB2C3_mC24_8_2a_4a_6a:Cu-Ge-P +mp-1225735,CuGe2P3,-4.674623145,0.256238505,0.3255225842,0.3255225842,GGA,Pmm2,AB2C3_oP6_25_a_ad_2bc:Cu-Ge-P,6.0,AB2C3_oP6_25_a_ad_2bc:Cu-Ge-P +mp-1225680,CuGe2P3,-4.8788838333,0.0519778167,0.1212618958,0.1212618958,GGA,P3m1,AB2C3_hP6_156_a_bc_abc:Cu-Ge-P,6.0,AB2C3_hP6_156_a_bc_abc:Cu-Ge-P +mp-1225673,CuGePSe,-4.6744518575,-0.2665897302,0.0123493231,0.0123493231,GGA,R3m,ABCD_hR12_160_a_a_a_a:Cu-Ge-P-Se,4.0,ABCD_hR12_160_a_a_a_a:Cu-Ge-P-Se +mp-1046049,Ta2TeO8,-8.4018031314,-2.3624966911,0.2489493686,0.2489493686,GGA,C2/c,A8B2C_mC44_15_4f_f_e:O-Ta-Te,22.0,"Invalid WP multiplicities - A8B2C_mC44_15_5f_f_e:O-Ta-Te, expected Ta2TeO10 to be Ta2TeO8" +mp-1204836,RbTa3(TeO6)2,-8.3610856592,-2.6832665878,0.0,-0.0247511213,GGA,Pbcm,A12BC3D2_oP72_57_cd5e_d_de_e:O-Rb-Ta-Te,72.0,A12BC3D2_oP72_57_cd5e_d_de_e:O-Rb-Ta-Te +mp-3180,Ta2Te2O9,-8.2318470612,-2.4993574113,0.0,-0.0125366213,GGA,P2_1/c,A9B2C2_mP52_14_ad8e_2e_2e:O-Ta-Te,52.0,"Invalid WP multiplicities - A9B2C2_mP52_14_ad9e_2e_2e:O-Ta-Te, expected TaTeO5 to be Ta2Te2O9" +mp-1213453,La2NiAs2O,-5.1871473067,-0.2009679048,1.6762810482,1.6762810482,GGA+U,P4/mmm,A2B2CD_tP6_123_g_g_a_b:As-La-Ni-O,6.0,A2B2CD_tP6_123_g_g_a_b:As-La-Ni-O +mp-1079362,LaNiAsO,-6.6558345175,-1.5753467922,0.4514602021,0.4514602021,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-La-Ni-O,8.0,ABCD_tP8_129_c_c_a_b:As-La-Ni-O +mp-16991,RbMoAsO6,-7.0797017958,-1.9502090342,0.0005046265,0.0005046265,GGA+U,Fddd,ABC6D_oF144_70_e_f_3h_g:As-Mo-O-Rb,36.0,"Invalid WP multiplicities - ABC6D_oF144_70_e_f_4h_g:As-Mo-O-Rb, expected RbMoAsO8 to be RbMoAsO6" +mp-555873,Rb2MoAs2O9,-6.7182781907,-1.957910086,0.0,-0.0769924038,GGA+U,P-1,A2BC9D2_aP28_2_2i_i_9i_2i:As-Mo-O-Rb,28.0,"Invalid WP multiplicities - A2BC9D2_aP28_2_2i_i_16i_4i:As-Mo-O-Rb, expected Rb4Mo(AsO8)2 to be Rb2MoAs2O9" +mp-818272,Rb2Mo3(As2O11)2,-6.6444676131,-1.4198984601,0.3138181981,0.3138181981,GGA+U,C2/c,A4B3C22D2_mC124_15_2f_ef_11f_f:As-Mo-O-Rb,62.0,A4B3C22D2_mC124_15_2f_ef_11f_f:As-Mo-O-Rb +mp-1206911,ErRu3C,-8.569525722,-0.2456073375,0.0,-0.0280530555,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Er-Ru,5.0,ABC3_cP5_221_b_a_c:C-Er-Ru +mp-28833,Er7Ru2C11,-7.8864020837,-0.2844942254,0.0217527721,0.0217527721,GGA,Cmcm,A11B7C2_oC80_63_3c4f_c3f_ac:C-Er-Ru,40.0,A11B7C2_oC80_63_3c4f_c3f_ac:C-Er-Ru +mp-1225543,ErFeRu,-7.70668735,-0.2693064967,0.0,-0.0192041604,GGA,Imma,ABC_oI12_74_e_a_c:Er-Fe-Ru,6.0,ABC_oI12_74_e_a_c:Er-Fe-Ru +mp-1226143,Er15Fe4Ru4C25,-8.0074857788,-0.2947750608,0.0179595331,0.0179595331,GGA,P3,A25B15C4D4_hP48_143_a8d_5d_bd_cd:C-Er-Fe-Ru,48.0,A25B15C4D4_hP48_143_a8d_5d_bd_cd:C-Er-Fe-Ru +mp-28472,Er10Ru10C19,-8.3077923305,-0.2625139239,0.0,-0.0161096885,GGA,Cm,A19B10C10_mC78_8_a9b_10a_5b:C-Er-Ru,39.0,"Invalid WP multiplicities - A19B10C10_mC78_8_a12b_10a_7b:C-Er-Ru, expected Er10Ru14C25 to be Er10Ru10C19" +mp-1224711,Gd2MnSbO7,-9.8305472577,-2.9150852586,0.0,-0.0073148006,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Gd-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Gd-Mn-O-Sb, expected Gd2MnSbO13 to be Gd2MnSbO7" +mp-1225126,Gd2Mn3Sb3O14,-8.6898049591,-2.4498533212,0.0029049062,0.0029049062,GGA+U,C2/m,A2B3C14D3_mC44_12_e_acd_3i2j_bf:Gd-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_e_abc_5i8j_df:Gd-Mn-O-Sb, expected Gd2Mn3(SbO14)3 to be Gd2Mn3Sb3O14" +mp-1209046,ScBi3(MoO6)2,-7.6777271425,-2.1829770731,0.0,-0.0013344364,GGA+U,C2/c,A3B2C12D_mC72_15_ef_f_6f_e:Bi-Mo-O-Sc,36.0,A3B2C12D_mC72_15_ef_f_6f_e:Bi-Mo-O-Sc +mp-1190524,TlInHgS3,-3.6039523842,-0.6327262438,0.010994314,0.010994314,GGA,C2/c,ABC3D_mC48_15_ce_f_3f_f:Hg-In-S-Tl,24.0,ABC3D_mC48_15_ce_f_3f_f:Hg-In-S-Tl +mp-1096500,TlInHg2,-0.7083346650000001,0.7220872367000001,0.7465432697000001,0.7465432697000001,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-In-Tl,4.0,A2BC_oI8_71_e_a_b:Hg-In-Tl +mp-1093956,TlIn2Hg,-1.1400321575,0.9023905854,0.9146186019,0.9146186019,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-In-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-In-Tl +mp-17947,BaCu2GeS4,-4.9693271096,-1.0585501593,0.0,-0.0296974212,GGA,P3_121,AB2CD4_hP24_152_a_c_b_2c:Ba-Cu-Ge-S,24.0,AB2CD4_hP24_152_a_c_b_2c:Ba-Cu-Ge-S +mp-556714,BaCu6(GeS4)2,-4.7946142309,-0.7445042541,0.0092075638,0.0092075638,GGA,Pbcm,AB6C2D8_oP68_57_d_3e_cd_2d3e:Ba-Cu-Ge-S,68.0,"Invalid WP multiplicities - AB6C2D8_oP68_57_d_19e_2c2d_7d17e:Ba-Cu-Ge-S, expected BaCu38Ge4S41 to be BaCu6(GeS4)2" +mp-1215138,Cd3Fe2(GeO4)3,-6.4897445946,-1.8428416046,0.0,-0.0160394159,GGA+U,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Cd-Fe-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Cd-Fe-Ge-O +mp-1223175,La6Cr(SiS7)2,-6.6969230617,-1.9999654836,0.0,-0.006506132,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cr-La-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cr-La-S-Si +mp-1110869,K2LiBiCl6,-3.810168875,-1.9040258899,0.0,-0.011628297,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-K-Li +mp-1110584,Rb2RhAuF6,-4.493111803,-2.086298621,0.157869448,0.157869448,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Rh +mp-868020,Nb6Cd(Br8O9)2,-4.904759675,-0.6262335754,1.0514733144,1.0514733144,GGA,Fd-3m,A16BC6D18_cF328_227_eg_a_f_fg:Br-Cd-Nb-O,82.0,A16BC6D18_cF328_227_eg_a_f_fg:Br-Cd-Nb-O +mp-1185243,LiYb2Al,-2.27883902,-0.0954102058,0.0334230767,0.0334230767,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Yb,,ABC2_cF16_225_a_b_c:Al-Li-Yb +mp-1210953,LiYbF2,-4.8417493669,-3.0238770965,0.326608291,0.326608291,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Yb,,A2BC_tI32_141_h_c_d:F-Li-Yb +mp-1100862,YbAlF5,-6.2355538321,-4.1151854111,0.0188186721,0.0110175264,GGA,P1,AB5C_aP56_1_8a_40a_8a:Al-F-Yb,,AB5C_aP56_1_8a_40a_8a:Al-F-Yb +mp-1261261,YbAlF5,-6.2543725043,-4.1340040832,0.0,-0.0078011457,GGA,P-1,AB5C_aP56_2_bcef2i_20i_4i:Al-F-Yb,,"Invalid WP multiplicities - AB5C_aP56_2_bcef4i_38i_7i:Al-F-Yb, expected Yb7Al6F38 to be YbAlF5" +mp-10103,LiYbAlF6,-6.0388235772,-3.9651590459,0.0,-0.0353693365,GGA,P-31c,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Yb,,AB6CD_hP18_163_c_i_d_b:Al-F-Li-Yb +mp-12264,LiYbF4,-5.1807438592,-3.3316693564,0.0009040742,0.0009040742,GGA,I4_1/a,A4BC_tI24_88_f_a_b:F-Li-Yb,,A4BC_tI24_88_f_a_b:F-Li-Yb +mp-1103082,SmCo3NiB,-6.7031839533,-0.2860059582,0.330656395,0.330656395,GGA,P6/mmm,AB3CD_hP12_191_c_i_d_ab:B-Co-Ni-Sm,12.0,AB3CD_hP12_191_c_i_d_ab:B-Co-Ni-Sm +mp-1111100,Li2InCuF6,-4.528145559,-2.3143845652,0.3659442985,0.3659442985,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Li +mp-1196984,Ga2PbS4,-4.7127360139,-0.9535019307,0.0,-0.0281218837,GGA,Fddd,A2BC4_oF224_70_2h_abe_4h:Ga-Pb-S,56.0,A2BC4_oF224_70_2h_abe_4h:Ga-Pb-S +mp-1200793,Ga4Ge(PbS3)4,-4.7417885733,-0.8740076863,0.0131048011,0.0131048011,GGA,P-42_1c,A4BC4D12_tP42_114_e_a_e_3e:Ga-Ge-Pb-S,42.0,A4BC4D12_tP42_114_e_a_e_3e:Ga-Ge-Pb-S +mp-557672,Ga2Pb2S5,-4.699740231,-0.9037696177,0.0121817121,0.0121817121,GGA,Pbca,A2B2C5_oP72_61_2c_2c_5c:Ga-Pb-S,72.0,"Invalid WP multiplicities - A2B2C5_oP72_61_11c_11c_33c:Ga-Pb-S, expected GaPbS3 to be Ga2Pb2S5" +mp-1024999,HoCr2Si2C,-7.7619643317,-0.4339967712,0.0,-0.0039132855,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-Ho-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-Ho-Si +mp-8499,Ho2Cr2C3,-8.3391912714,-0.3167756775,0.0,-0.0757865017,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Ho,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Ho +mp-5561,Ho(CrSi)2,-7.348442048,-0.400614074,0.1100833868,0.1100833868,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Ho-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Ho-Si +mp-20596,U(SiNi)2,-7.287893712,-0.547429826,0.0,-0.0536623739,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-U,5.0,A2B2C_tI10_139_d_e_a:Ni-Si-U +mp-1216948,U2Si7Ni2,-6.7955754918,-0.2391828018,0.1618031127,0.1618031127,GGA,Amm2,A2B7C2_oC22_38_ab_2a5b_2a:Ni-Si-U,11.0,A2B7C2_oC22_38_ab_2a5b_2a:Ni-Si-U +mp-1216879,U2Si3Ni,-7.7694265533,-0.3296080883,0.0694753138,0.0694753138,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Ni-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Ni-Si-U +mp-1103705,FeSiNi,-6.9519072125,-0.3934152392,0.0501670748,0.0501670748,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Ni-Si,12.0,ABC_oP12_62_c_c_c:Fe-Ni-Si +mp-1212682,Fe3SiNi,-7.58068774,-0.257584072,0.0222088107,0.0222088107,GGA,P2_13,A3BC_cP20_198_b_a_a:Fe-Ni-Si,20.0,A3BC_cP20_198_b_a_a:Fe-Ni-Si +mp-1225224,Fe3Si2Ni3,-7.0208133713,-0.320674655,0.0519026651,0.0519026651,GGA,Pmmm,A3B3C2_oP8_47_aj_bgh_k:Fe-Ni-Si,8.0,A3B3C2_oP8_47_aj_bgh_k:Fe-Ni-Si +mp-1217037,UFe5Si2Ni5,-7.3076374392,-0.1235731685,0.1832816333,0.1832816333,GGA,P-1,A5B5C2D_aP13_2_e2i_bcfi_i_a:Fe-Ni-Si-U,13.0,A5B5C2D_aP13_2_e2i_bcfi_i_a:Fe-Ni-Si-U +mp-504984,USiNi,-7.9902898367,-0.49133493,0.0,-0.0351434083,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Si-U,12.0,ABC_oP12_62_c_c_c:Ni-Si-U +mp-1207979,U2(Si2Ni)3,-7.0595312345,-0.4708823036,0.0,-0.0202013775,GGA,Cmmm,A3B6C2_oC22_65_ah_g2h_g:Ni-Si-U,11.0,A3B6C2_oC22_65_ah_g2h_g:Ni-Si-U +mp-1217005,USi3Ni2,-6.9889243417,-0.4676514317,0.0237512093,0.0237512093,GGA,I4/mmm,A2B3C_tI24_139_de_eg_e:Ni-Si-U,12.0,A2B3C_tI24_139_de_eg_e:Ni-Si-U +mp-1207121,Fe2SiNi,-7.3205640725,-0.28418979,0.0655513134,0.0655513134,GGA,F-43m,A2BC_cF16_216_ac_b_d:Fe-Ni-Si,4.0,A2BC_cF16_216_ac_b_d:Fe-Ni-Si +mp-1216955,U4SiNi7,-7.9097645317,-0.3221049625,0.0077457492,0.0077457492,GGA,P-3m1,A7BC4_hP12_164_ai_b_2d:Ni-Si-U,12.0,A7BC4_hP12_164_ai_b_2d:Ni-Si-U +mp-1217045,U(SiNi5)2,-6.5034764462,-0.3539831485,0.024816302,0.024816302,GGA,Immm,A10B2C_oI26_71_efgk_h_a:Ni-Si-U,13.0,A10B2C_oI26_71_efgk_h_a:Ni-Si-U +mp-9903,U3(SiNi)4,-7.6327148345,-0.4785285736,0.0383040364,0.0383040364,GGA,Immm,A4B4C3_oI22_71_ef_ef_af:Ni-Si-U,11.0,"Invalid WP multiplicities - A4B4C3_oI22_71_2ef_ef_af:Ni-Si-U, expected U3(Si2Ni3)2 to be U3(SiNi)4" +mp-1216984,U12FeNi,-10.7054663414,-0.0092464836,0.034005498,0.034005498,GGA,I422,ABC12_tI28_97_a_b_jk:Fe-Ni-U,14.0,ABC12_tI28_97_a_b_jk:Fe-Ni-U +mp-2217576,MgAg2(SbO3)2,-5.6120361527,-1.5026246251000002,0.3204003433,0.3204003433,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:Ag-Mg-O-Sb,11.0,A2BC6D2_hR33_148_c_a_f_c:Ag-Mg-O-Sb +mp-2217763,MgAg2(SbO3)2,-5.5731884527,-1.4637769251,0.3592480433,0.3592480433,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:Ag-Mg-O-Sb,11.0,A2BC6D2_hR33_148_c_a_f_c:Ag-Mg-O-Sb +mp-1191396,MgAgSb,-3.1355229808,-0.2815772164,0.0104743192,-0.0231289529,GGA,I-4c2,ABC_tI48_120_abe_i_i:Ag-Mg-Sb,24.0,ABC_tI48_120_abe_i_i:Ag-Mg-Sb +mp-1018797,MgAgSb,-3.1254682183,-0.2715224539,0.0205290817,-0.0130741904,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ag-Mg-Sb,6.0,ABC_tP6_129_a_c_c:Ag-Mg-Sb +mp-1008903,MgAgSb,-3.1459973,-0.2920515356,0.0,-0.0336032721,GGA,F-43m,ABC_cF12_216_c_a_b:Ag-Mg-Sb,3.0,ABC_cF12_216_c_a_b:Ag-Mg-Sb +mp-1329037,Mg2AgSbO6,-5.8990919925,-1.9148670314,0.1071855125,0.1071855125,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Ag-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Ag-Mg-O-Sb, expected Mg2AgSbO16 to be Mg2AgSbO6" +mp-1113229,Cs2NdAgF6,-5.250800703,-3.1647625045,0.019960973,0.019960973,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Nd,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Nd +mp-555162,Ba2CoF6,-5.9945774622,-3.5040061867,0.0558611078,0.0558611078,GGA+U,I4/mmm,A2BC6_tI18_139_e_a_cde:Ba-Co-F,9.0,"Invalid WP multiplicities - A2BC6_tI18_139_e_a_c2d2e:Ba-Co-F, expected Ba2CoF10 to be Ba2CoF6" +mp-556101,BaCoF4,-6.0353650625,-3.2564969617,0.0013119225,0.0013119225,GGA+U,Cmc2_1,ABC4_oC24_36_a_a_4a:Ba-Co-F,12.0,ABC4_oC24_36_a_a_4a:Ba-Co-F +mp-1041033,Ba2Co2F11,-5.4062306998,-2.8008404256,0.0190833366,0.0190833366,GGA+U,P3_2,A2B2C11_hP45_145_2a_2a_11a:Ba-Co-F,45.0,"Invalid WP multiplicities - A2B2C11_hP45_145_5a_5a_31a:Ba-Co-F, expected Ba5Co5F31 to be Ba2Co2F11" +mp-1225929,CsBa2Co2F9,-5.7753193029,-3.192940835,0.0263542996,0.0263542996,GGA+U,R3m,A2B2CD9_hR42_160_2a_2a_a_3b:Ba-Co-Cs-F,14.0,A2B2CD9_hR42_160_2a_2a_a_3b:Ba-Co-Cs-F +mp-1229080,Ce5Cu19P12,-5.3163861489,-0.5244416326,0.0028860594,-0.016379626,GGA,Cm,A5B19C12_mC72_8_a2b_3a8b_2a5b:Ce-Cu-P,36.0,"Invalid WP multiplicities - A5B19C12_mC72_8_a3b_3a14b_2a9b:Ce-Cu-P, expected Ce7Cu31P20 to be Ce5Cu19P12" +mp-21684,Ce5Cu19P12,-5.3192722083,-0.5273276921,0.0,-0.0192656854,GGA,P-62m,A5B19C12_hP36_189_cg_afgjk_2fk:Ce-Cu-P,36.0,"Invalid WP multiplicities - A5B19C12_hP36_189_cg_afg3j2k_3f2k:Ce-Cu-P, expected Ce5Cu37P21 to be Ce5Cu19P12" +mp-1192355,Ce2Mn3Cu9P7,-5.8638906443,-0.4287381794,0.0941581261,0.0941581261,GGA,P-6,A2B9C3D7_hP21_174_ad_2jk_k_ejk:Ce-Cu-Mn-P,21.0,A2B9C3D7_hP21_174_ad_2jk_k_ejk:Ce-Cu-Mn-P +mp-1214035,Ce(Cu2P)2,-5.2568488574,-0.5202030219,0.0,-0.0102793874,GGA,Pnnm,AB4C2_oP42_58_ag_6g_3g:Ce-Cu-P,42.0,AB4C2_oP42_58_ag_6g_3g:Ce-Cu-P +mp-909339,Pt2PbO4,-4.9225077964,0.16915914,1.28959695,1.2248735093,GGA,P-1,A4BC2_aP14_2_4i_i_abce:O-Pb-Pt,14.0,A4BC2_aP14_2_4i_i_abce:O-Pb-Pt +mp-22048,Pt2PbO4,-6.2121047464,-1.12043781,0.0,-0.0647234407,GGA,P-1,A4BC2_aP14_2_4i_i_abce:O-Pb-Pt,14.0,A4BC2_aP14_2_4i_i_abce:O-Pb-Pt +mp-1381342,Pt2PbO4,-2.2244198071,2.8672471293,3.9876849393,3.9229614986,GGA,P-1,A4BC2_aP14_2_4i_i_abcd:O-Pb-Pt,14.0,A4BC2_aP14_2_4i_i_abcd:O-Pb-Pt +mp-556331,Sr4Pt4PbO11,-6.423002072,-1.9645655726,0.0,-0.0533130168,GGA,P-1,A11BC4D4_aP40_2_11i_i_4i_4i:O-Pb-Pt-Sr,40.0,"Invalid WP multiplicities - A11BC4D4_aP40_2_22i_i_8i_7i:O-Pb-Pt-Sr, expected Sr7Pt8PbO22 to be Sr4Pt4PbO11" +mp-29332,Pt(PbO2)2,-6.0386593071,-1.2839189779,0.0001540168,0.0001540168,GGA,Pbam,A4B2C_oP28_55_ghi_gh_e:O-Pb-Pt,28.0,A4B2C_oP28_55_ghi_gh_e:O-Pb-Pt +mp-1044462,CaPr(AgO3)2,-6.001735633,-1.7885606421,0.08841922,0.08841922,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Ag-Ca-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Ag-Ca-O-Pr, expected CaPr(AgO6)2 to be CaPr(AgO3)2" +mp-866060,CaPrAg2,-3.4280272225,-0.3151228121,0.0,-0.02438787,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-Pr,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-Pr +mp-541692,Na2In2Sb3,-3.2655573796,-0.3319256987,0.0060762568,0.0060762568,GGA,P2_1/c,A2B2C3_mP56_14_4e_4e_6e:In-Na-Sb,56.0,A2B2C3_mP56_14_4e_4e_6e:In-Na-Sb +mp-505767,K2NaInSb2,-2.9549049371,-0.5294033708,0.0,-0.0761466016,GGA,Cmce,AB2CD2_oC48_64_d_ef_d_ef:In-K-Na-Sb,24.0,AB2CD2_oC48_64_d_ef_d_ef:In-K-Na-Sb +mp-21547,Na3InSb2,-2.936154744,-0.4399443956,0.0,-0.047197176,GGA,P2_1/c,AB3C2_mP48_14_2e_6e_4e:In-Na-Sb,48.0,AB3C2_mP48_14_2e_6e_4e:In-Na-Sb +mp-1212557,Ho(ClO2)3,-4.616296168,-0.6354810562000001,0.6873829825000001,0.6873829825000001,GGA,P2/c,A3BC6_mP20_13_eg_f_3g:Cl-Ho-O,20.0,A3BC6_mP20_13_eg_f_3g:Cl-Ho-O +mp-29731,HoClO,-7.3060841767,-3.5135394296,0.0,-0.0843631385,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Ho-O,6.0,ABC_tP6_129_c_c_a:Cl-Ho-O +mp-770754,Ho(ClO4)3,-5.3284458022,-0.9854280906,0.0,-0.0989051672,GGA,R3c,A3BC12_hR96_161_b_a_4b:Cl-Ho-O,32.0,"Invalid WP multiplicities - A3BC12_hR96_161_b_a_21b:Cl-Ho-O, expected Ho(ClO21)3 to be Ho(ClO4)3" +mp-770426,Ho(ClO4)3,-5.3099992797,-0.9669815681,0.0184465225,-0.0804586447,GGA,P6_3/m,A3BC12_hP32_176_h_c_2hi:Cl-Ho-O,32.0,"Invalid WP multiplicities - A3BC12_hP32_176_h_c_11h6i:Cl-Ho-O, expected Ho(ClO23)3 to be Ho(ClO4)3" +mp-23587,HoSeClO3,-6.6208729554,-2.4930524318,0.0,-0.0708075849,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Ho-O-Se,24.0,ABC3D_oP24_62_c_c_cd_c:Cl-Ho-O-Se +mp-1025493,HoClO2,-6.324519575,-2.2434388369,0.4816563578,0.4816563578,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Cl-Ho-O,8.0,ABC2_mP8_11_e_e_2e:Cl-Ho-O +mp-1212355,Ho2Cl2O,-5.299813862,-1.7380979078,1.0827211717,1.0827211717,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Ho-O,5.0,A2B2C_tP5_123_g_g_a:Cl-Ho-O +mp-1180558,MgHg2(BrO)6,-3.2501631003,-0.5031002318,0.3855183106,0.3855183106,GGA,C2/c,A6B2CD6_mC60_15_3f_f_e_2e2f:Br-Hg-Mg-O,30.0,A6B2CD6_mC60_15_3f_f_e_2e2f:Br-Hg-Mg-O +mp-1180378,Mg(BrO3)2,-4.7395985433,-0.9188797681,0.0,-0.1107453711,GGA,C2/m,A2BC6_mC18_12_i_a_ij:Br-Mg-O,9.0,A2BC6_mC18_12_i_a_ij:Br-Mg-O +mp-1180407,Mg(BrO3)2,-4.2742530044,-0.4535342292,0.4653455389,0.3546001678,GGA,C2/m,A2BC6_mC18_12_i_a_ij:Br-Mg-O,9.0,A2BC6_mC18_12_i_a_ij:Br-Mg-O +mp-1069922,Mg(BrO)2,-3.203780034,-0.2838372075,1.0353768907,1.0353768907,GGA,C2/m,A2BC2_mC10_12_i_a_g:Br-Mg-O,5.0,A2BC2_mC10_12_i_a_g:Br-Mg-O +mp-1222540,Mg(BrO2)2,-4.0852143371,-0.5862012579,0.4756550567,0.4756550567,GGA,C2/m,A2BC4_mC14_12_i_b_aci:Br-Mg-O,,A2BC4_mC14_12_i_a_bci:Br-Mg-O +mp-1211084,Mg(BrO6)2,-4.0711824015,0.1999243482,0.751252209,0.751252209,GGA,Pa-3,A2BC12_cP60_205_c_a_2d:Br-Mg-O,60.0,A2BC12_cP60_205_c_a_2d:Br-Mg-O +mp-1105711,MgBr2O,-3.5572646056,-1.1440082503,0.4003939085,0.4003939085,GGA,Pnma,A2BC_oP16_62_2c_c_c:Br-Mg-O,16.0,A2BC_oP16_62_2c_c_c:Br-Mg-O +mp-1207138,SmEu2TaO6,-10.073612978,-3.3965630148,0.1104772911,0.1104772911,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sm-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sm-Ta +mp-1224181,In2CuSe3I,-3.7931185286,-0.712593541,0.0288914106,0.0288914106,GGA,Cm,ABC2D3_mC14_8_a_a_2a_3a:Cu-I-In-Se,7.0,ABC2D3_mC14_8_a_a_2a_3a:Cu-I-In-Se +mp-1095924,LiGa2Cu,-1.7768292250000002,1.2392511704,1.4791116448,1.4791116448,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Ga-Li,4.0,AB2C_oI8_71_a_e_b:Cu-Ga-Li +mp-1111358,Li2GaCuF6,-4.6614970840000005,-2.4200948609,0.3204391309,0.3204391309,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Li +mp-1222673,Li2GaCu3,-3.3575090383,-0.1669154107,0.0,-0.0133127587,GGA,R-3m,A3BC2_hR18_166_d_a_c:Cu-Ga-Li,6.0,A3BC2_hR18_166_d_a_c:Cu-Ga-Li +mp-861901,LiGaCu2,-3.4836771475,-0.1998190902,0.0,-0.0296737475,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Li,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Li +mp-31194,Li13(Ga7Cu2)3,-3.1065995739,-0.2815682299,0.0,-0.0413538102,GGA,Im-3,A6B21C13_cI160_204_g_egh_efg:Cu-Ga-Li,80.0,A6B21C13_cI160_204_g_egh_efg:Cu-Ga-Li +mp-1229164,Cs(ThSe3)2,-5.8674633733,-1.7898425136,0.0,-0.0784383749,GGA,Immm,AB6C2_oI18_71_a_fm_e:Cs-Se-Th,9.0,AB6C2_oI18_71_a_fm_e:Cs-Se-Th +mp-1019360,ThPSe,-7.022744035,-1.5817199569,0.0,-0.0026520669,GGA,P4/nmm,ABC_tP6_129_a_c_c:P-Se-Th,6.0,ABC_tP6_129_a_c_c:P-Se-Th +mp-680198,Cs4Th2P5Se17,-4.8452318486,-1.0985770757,0.0,-0.0149290379,GGA,P2_1/c,A4B5C17D2_mP112_14_4e_5e_17e_2e:Cs-P-Se-Th,112.0,"Invalid WP multiplicities - A4B5C17D2_mP112_14_13e_16e_64e_5e:Cs-P-Se-Th, expected Cs13Th5(PSe4)16 to be Cs4Th2P5Se17" +mp-1206678,Th2PSe2,-5.27889989,0.1676685024,2.0160446495,2.0160446495,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:P-Se-Th,5.0,AB2C2_tP5_123_a_g_g:P-Se-Th +mp-1204762,Cs2Th2P2Se13,-5.0652215027,-1.2288017413,0.0,-0.0327838697,GGA,Pbca,A2B2C13D2_oP152_61_2c_2c_13c_2c:Cs-P-Se-Th,152.0,A2B2C13D2_oP152_61_2c_2c_13c_2c:Cs-P-Se-Th +mp-1223309,La2MgZr2O8,-8.4786356423,-3.2370044723,0.5414311531,0.5414311531,GGA,I4/mmm,A2BC8D2_tI26_139_c_a_m_e:La-Mg-O-Zr,13.0,A2BC8D2_tI26_139_c_a_m_e:La-Mg-O-Zr +mp-1223208,La2MgZrO6,-8.486775825,-3.5167631092,0.2133506953,0.2133506953,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Mg-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:La-Mg-O-Zr +mp-1022465,LaMg6Zr,-2.8005113631,0.0851621413,0.1594704422,0.1594704422,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Zr, expected LaMg12Zr to be LaMg6Zr" +mp-1022542,LaMg6Zr,-2.7914151306,0.0942583738,0.1685666747,0.1685666747,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Zr, expected LaMg12Zr to be LaMg6Zr" +mp-1027945,LaMg14Zr,-2.2093393613,0.0336374159,0.0815253384,0.0815253384,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Zr, expected LaMg18Zr to be LaMg14Zr" +mp-1027935,LaMg14Zr,-2.1909449062,0.0520318709,0.0999197934,0.0999197934,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Zr, expected LaMg26Zr to be LaMg14Zr" +mp-1190557,Hg4BiS2Cl5,-2.8080883471,-0.9271888784,0.0,-0.0286736675,GGA,P2_1,AB5C4D2_mP24_4_a_5a_4a_2a:Bi-Cl-Hg-S,24.0,AB5C4D2_mP24_4_a_5a_4a_2a:Bi-Cl-Hg-S +mp-554921,Hg(BiS2)2,-4.1024462957,-0.5980951396,0.0,-0.0156756157,GGA,C2/m,A2BC4_mC28_12_2i_ac_4i:Bi-Hg-S,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_4i_ac_8i:Bi-Hg-S, expected Hg(BiS2)4 to be Hg(BiS2)2" +mp-1104411,Hg3Bi2(SCl4)2,-3.21811063,-1.1078964721,0.0,-0.0292098873,GGA,C2/m,A2B8C3D2_mC30_12_i_hij_ae_i:Bi-Cl-Hg-S,15.0,A2B8C3D2_mC30_12_i_gij_ce_i:Bi-Cl-Hg-S +mp-35249,Sm2Hf2O7,-9.8148064823,-3.9985909087,0.0,-0.0497241235,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Hf-O-Sm,22.0,A2B7C2_cF88_227_d_af_c:Hf-O-Sm +mp-1209249,Sm2Hf2(MoO4)7,-8.8362953321,-2.5855675112,0.0,-0.0153438626,GGA+U,C2/c,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Sm,78.0,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Sm +mp-1209680,SmHfO14,-5.8275559128,-0.5819673427000001,0.7925482822000001,0.7925482822000001,GGA,Fd-3m,AB14C_cF128_227_b_cg_a:Hf-O-Sm,32.0,AB14C_cF128_227_b_cg_a:Hf-O-Sm +mp-1213540,Dy2Sn3(PbS4)3,-5.2379726908,-1.1370912479,0.0103332847,0.0103332847,GGA,Pmc2_1,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Dy-Pb-S-Sn,40.0,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:Dy-Pb-S-Sn +mp-10209,Y3Al3NiGe2,-5.8223545222,-0.7487619422,0.0,-0.0183785261,GGA,P-62m,A3B2CD3_hP9_189_f_c_b_g:Al-Ge-Ni-Y,9.0,A3B2CD3_hP9_189_f_c_b_g:Al-Ge-Ni-Y +mp-558360,AlAs3S5Cl4,-4.5295461081,-1.0065209527,0.0,-0.0396081961,GGA,P2_1/m,AB3C4D5_mP26_11_e_ef_2ef_3ef:Al-As-Cl-S,26.0,"Invalid WP multiplicities - AB3C4D5_mP26_11_e_e2f_4ef_6e3f:Al-As-Cl-S, expected AlAs5(S2Cl)6 to be AlAs3S5Cl4" +mp-555805,AlSCl7,-3.6022399922,-1.2887086237,0.0,-0.0604105887,GGA,Pc,AB7C_mP18_7_a_7a_a:Al-Cl-S,18.0,"Invalid WP multiplicities - AB7C_mP18_7_a_14a_a:Al-Cl-S, expected AlSCl14 to be AlSCl7" +mp-1038709,CsMg30GaO32,-6.1503680927,-2.8655878012,0.1289351741,0.1289351741,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cs-Ga-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cs-Ga-Mg-O, expected CsMg110GaO72 to be CsMg30GaO32" +mp-1038710,CsMg30GaO32,-6.1630028472,-2.8782225557,0.1163004195,0.1163004195,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cs-Ga-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cs-Ga-Mg-O, expected CsMg90GaO80 to be CsMg30GaO32" +mp-1099214,CsMg14GaO16,-5.9515079169,-2.6554317145,0.2795739366,0.2795739366,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cs-Ga-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cs-Ga-Mg-O, expected CsMg18GaO20 to be CsMg14GaO16" +mp-1035377,CsMg14GaO16,-5.9257847294,-2.629708527,0.3052971241,0.3052971241,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cs-Ga-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cs-Ga-Mg-O, expected CsMg30GaO32 to be CsMg14GaO16" +mp-1213401,CsGaO2,-5.5559820677000005,-2.1017631134,0.0,-0.1104816564,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cs-Ga-O,64.0,ABC2_oP64_61_2c_2c_4c:Cs-Ga-O +mp-1178397,CsGaO2,-5.5251535137,-2.0709345595,0.0308285539,-0.0796531025,GGA,Fd-3m,ABC2_cF32_227_b_a_c:Cs-Ga-O,8.0,ABC2_cF32_227_b_a_c:Cs-Ga-O +mp-1099261,CsMg6GaO8,-5.5032267306,-2.1845587066,0.6314122963000001,0.6314122963000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cs-Ga-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cs-Ga-Mg-O, expected CsMg6GaO12 to be CsMg6GaO8" +mp-1178422,Cs3GaO3,-4.7282079886,-1.7918695211,0.0004986586,-0.0812674099,GGA,C2/m,A3BC3_mC28_12_ghi_i_ij:Cs-Ga-O,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_gh2i_i_2ij:Cs-Ga-O, expected Cs4GaO4 to be Cs3GaO3" +mp-770463,Cs3GaO3,-4.7287066471,-1.7923681796,0.0,-0.0817660685,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Ga-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:Cs-Ga-O, expected Cs9GaO9 to be Cs3GaO3" +mp-772181,Cs3GaO3,-4.6877075018,-1.7513690343,0.0409991454,-0.0407669231,GGA,P2_13,A3BC3_cP28_198_3a_a_b:Cs-Ga-O,28.0,"Invalid WP multiplicities - A3BC3_cP28_198_9a_a_b:Cs-Ga-O, expected Cs9GaO3 to be Cs3GaO3" +mp-1044515,ZnSn(GeO3)2,-6.2096448875,-1.7900945433,0.1645548771,0.1645548771,GGA,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-Sn-Zn,40.0,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-Sn-Zn +mp-1042955,ZnSn(GeO3)2,-6.300030669,-1.8804803248,0.0741690956,0.0741690956,GGA,C2/c,A2B6CD_mC40_15_f_3f_e_e:Ge-O-Sn-Zn,20.0,A2B6CD_mC40_15_f_3f_e_e:Ge-O-Sn-Zn +mp-1327509,Zn3Sn2(GeO4)3,-6.0233494573,-1.7719633252,0.2111175253,0.2111175253,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sn-Zn,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sn-Zn +mp-1208846,Sr2CoSi2O7,-7.7590674281,-3.0953372831,0.0,-0.0123538433,GGA+U,P-42_1m,AB7C2D2_tP24_113_a_cef_e_e:Co-O-Si-Sr,48.0,AB7C2D2_tP24_113_a_cef_e_e:Co-O-Si-Sr +mp-1069057,Sr(CoSi)2,-5.851190864,-0.4998378433,0.0,-0.0355221483,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Sr +mp-18540,CsEr2Cu3S5,-5.3698487918,-1.4597843067,0.0026298826,0.0026298826,GGA,Cmcm,AB3C2D5_oC44_63_c_cf_f_c2f:Cs-Cu-Er-S,22.0,"Invalid WP multiplicities - AB3C2D5_oC44_63_c_c2f_f_c4f:Cs-Cu-Er-S, expected CsEr2Cu5S9 to be CsEr2Cu3S5" +mp-561307,DySCl,-6.0716645567,-2.5410734344,0.0,-0.0186749917,GGA,P2_1/c,ABC_mP12_14_e_e_e:Cl-Dy-S,12.0,ABC_mP12_14_e_e_e:Cl-Dy-S +mp-30157,Dy3S2Cl5,-5.7232180122,-2.5896236569,0.0201172622,0.0201172622,GGA,Pnma,A5B3C2_oP40_62_c2d_cd_d:Cl-Dy-S,40.0,A5B3C2_oP40_62_c2d_cd_d:Cl-Dy-S +mp-1197810,Cs6Dy21S34Cl,-6.2588675611,-2.3136615933,0.0,-0.0437665128,GGA,C2/m,AB6C21D34_mC124_12_a_ij_dg2hi3j_3i7j:Cl-Cs-Dy-S,62.0,AB6C21D34_mC124_12_a_ij_cg2hi3j_3i7j:Cl-Cs-Dy-S +mp-1214034,Ca3Fe2Br2O5,-6.6711992046,-2.4381706816,0.0190889044,0.0190889044,GGA+U,I4/mmm,A2B3C2D5_tI24_139_e_ae_e_bg:Br-Ca-Fe-O,24.0,A2B3C2D5_tI24_139_e_ae_e_bg:Br-Ca-Fe-O +mp-18992,Ba2MnTeO6,-7.06359945,-2.4812591167,0.0,-0.0608077735,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Te,40.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Te +mp-1197611,Ba2InAgS4,-4.7679866022,-1.5219879671,0.0026407766,0.0026407766,GGA,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:Ag-Ba-In-S,32.0,AB2CD4_mP32_14_e_2e_e_4e:Ag-Ba-In-S +mp-1195568,Ba4InAgS6,-4.9755719838,-1.8023354259,0.0,-0.0109970656,GGA,P2_1/c,AB4CD6_mP48_14_e_4e_e_6e:Ag-Ba-In-S,48.0,AB4CD6_mP48_14_e_4e_e_6e:Ag-Ba-In-S +mp-1219695,Rb4Mn(MoO4)3,-7.420397901,-2.1713295786,0.0,-0.0107740947,GGA+U,P31c,AB3C12D4_hP40_159_a_2ab_2ab3c_4b:Mn-Mo-O-Rb,40.0,"Invalid WP multiplicities - AB3C12D4_hP40_159_a_4ab_4ab5c_8b:Mn-Mo-O-Rb, expected Rb8Mn(MoO4)5 to be Rb4Mn(MoO4)3" +mp-1196652,Rb2Mn2(MoO4)3,-7.8938986079,-1.9895663135,0.1326555354,0.1326555354,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Mn-Mo-O-Rb,76.0,A2B3C12D2_cP76_198_2a_b_4b_2a:Mn-Mo-O-Rb +mp-1217276,Th2Si3Os,-7.7325112983,-0.6773382950000001,0.009304065,0.009304065,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Os-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Os-Si-Th +mp-1070572,ThSi3Os,-7.61837638,-0.634940426,0.0,-0.0621680108,GGA,I4mm,AB3C_tI10_107_a_ab_a:Os-Si-Th,5.0,AB3C_tI10_107_a_ab_a:Os-Si-Th +mp-3166,Th(SiOs)2,-8.921473876,-0.777628042,0.0,-0.2950459153,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Os-Si-Th +mp-1208232,ThSiOs2C,-9.426093571,-0.5215782445,0.0,-0.0560388875,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Th,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Th +mp-780712,CeCrO3,-9.187636586,-3.1023960343,0.0529605764,0.0529605764,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ce-Cr-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ce-Cr-O, expected CeCrO7 to be CeCrO3" +mp-20530,CeCrO3,-9.057196486,-2.9719559343,0.1834006764,0.1834006764,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Cr-O,5.0,ABC3_cP5_221_a_b_c:Ce-Cr-O +mp-818536,CeCr2O10,-7.3400943069,-1.5934734448,0.2721460474,0.2721460474,GGA+U,P2_1/m,AB2C10_mP26_11_e_f_2e4f:Ce-Cr-O,26.0,AB2C10_mP26_11_e_f_2e4f:Ce-Cr-O +mp-19375,CeCrSe2O,-7.576106108,-2.0711764497,0.0125552795,0.0125552795,GGA+U,C2/m,ABCD2_mC20_12_i_ad_i_2i:Ce-Cr-O-Se,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_ac_i_3i:Ce-Cr-O-Se, expected CeCrSe3O to be CeCrSe2O" +mp-20170,CeCrSe3,-6.686768557,-1.4719943454,0.0,-0.0156372436,GGA,Pnma,ABC3_oP20_62_c_c_3c:Ce-Cr-Se,20.0,ABC3_oP20_62_c_c_3c:Ce-Cr-Se +mp-1196965,Dy12(ReC3)5,-8.3608499222,-0.3629105349,0.0114335128,0.0114335128,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Dy-Re +mp-1025240,Dy2Re2Si2C,-8.3414764729,-0.6012008154,0.0,-0.04272484,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Dy-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Dy-Re-Si +mp-1188135,Dy2ReC2,-8.4431557515,-0.4200693815,0.0,-0.0823473098,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Dy-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Dy-Re +mp-1196838,Dy2Re3Si5,-7.9258319652,-0.5584574267,0.0,-0.0633057302,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Dy-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Dy-Re-Si +mp-1206141,DyRe2SiC,-9.294758189,-0.4647932425,0.0,-0.0352183195,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Dy-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Dy-Re-Si +mp-1195883,Rb2MnSi5O12,-7.8956089554,-3.0151120493,0.0,-0.0265331051,GGA+U,Pbca,AB12C2D5_oP160_61_c_12c_2c_5c:Mn-O-Rb-Si,160.0,AB12C2D5_oP160_61_c_12c_2c_5c:Mn-O-Rb-Si +mp-1036470,HfMg14AlO16,-6.4565240572,-2.8548457778,0.2032051024,0.2032051024,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Hf-Mg-O, expected HfMg18AlO20 to be HfMg14AlO16" +mp-1036478,HfMg14AlO16,-6.4531547034,-2.8514764241,0.2065744562,0.2065744562,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Hf-Mg-O, expected HfMg30AlO32 to be HfMg14AlO16" +mp-1032871,HfMg6AlO8,-6.5859070344,-2.6560348562,0.4060266049,0.4060266049,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Hf-Mg-O, expected HfMg6AlO12 to be HfMg6AlO8" +mp-1032931,HfMg6AlO8,-6.64887625,-2.7190040719,0.3430573893,0.3430573893,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Hf-Mg-O, expected HfMg6AlO12 to be HfMg6AlO8" +mp-1184744,Hf(Mg4Al3)4,-2.8116663079,-0.0355083841,0.0423400383,0.0423400383,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Hf-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a8b4c:Al-Hf-Mg, expected HfMg49Al39 to be Hf(Mg4Al3)4" +mp-2647075,HfAl2O5,-8.8575351075,-3.5848120767,0.0650066272,0.0650066272,GGA,Cmcm,A2BC5_oC32_63_f_c_c2f:Al-Hf-O,16.0,"Invalid WP multiplicities - A2BC5_oC32_63_f_c_c3f:Al-Hf-O, expected HfAl2O7 to be HfAl2O5" +mp-1023277,HfMg6Al,-2.8566816294,0.0563740156,0.1764374826,0.1764374826,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Hf-Mg, expected HfMg12Al to be HfMg6Al" +mp-1023284,HfMg6Al,-2.8590884081,0.0539672369,0.1740307038,0.1740307038,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Hf-Mg, expected HfMg12Al to be HfMg6Al" +mp-1028159,HfMg14Al,-2.2320059881,0.0246618594,0.0966939324,0.0966939324,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Hf-Mg, expected HfMg18Al to be HfMg14Al" +mp-1028153,HfMg14Al,-2.2152186037,0.0414492438,0.1134813168,0.1134813168,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Hf-Mg, expected HfMg26Al to be HfMg14Al" +mp-1037722,HfMg30AlO32,-6.3910327,-2.95345137,0.1025942198,0.1025942198,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Hf-Mg-O, expected HfMg90AlO80 to be HfMg30AlO32" +mp-1037717,HfMg30AlO32,-6.3875900998,-2.9500087698,0.10603682,0.10603682,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Hf-Mg-O, expected HfMg110AlO72 to be HfMg30AlO32" +mp-1110981,Cs2NaNdF6,-5.466767665,-3.5317325375,0.0,-0.0129698235,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Nd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Nd +mp-1210682,Na3Li3Rh2F12,-5.0100479907,-2.6420125992,0.0,-0.0656898424,GGA,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Rh,80.0,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-Rh +mp-1111095,NaLi2RhF6,-4.764952077,-2.3675968068,0.27190947,0.27190947,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Rh,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-Rh +mp-1114234,Na2LiRhF6,-4.895647978,-2.5569324651,0.037087603,0.037087603,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Rh +mp-1226908,CeCuGeH,-5.1209908537,-0.6089784225,0.0,-0.0462407865,GGA,P-3m1,ABCD_hP8_164_ab_d_d_d:Ce-Cu-Ge-H,8.0,ABCD_hP8_164_ab_d_d_d:Ce-Cu-Ge-H +mp-1225705,CuH,-3.6477608925,0.098205465,0.098205465,0.098205465,GGA,P-3m1,AB_hP4_164_d_d:Cu-H,4.0,AB_hP4_164_d_d:Cu-H +mp-24093,CuH,-3.6974148325,0.048551525,0.048551525,0.048551525,GGA,P6_3mc,AB_hP4_186_b_b:Cu-H,4.0,AB_hP4_186_b_b:Cu-H +mp-1114242,Na2LiGaF6,-4.9257555150000005,-3.0206611869,0.0190785427,0.0190785427,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Li-Na +mp-1111142,NaLi2GaF6,-4.800046657,-2.8363125716,0.2434287581,0.2434287581,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-Li-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-Li-Na +mp-1110757,K2RbMoBr6,-3.905212999,-1.5686977933,0.1176686147,0.1176686147,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Mo-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Mo-Rb +mp-554260,SnSb2As2F18,-5.0404829961,-2.6060294065000003,0.0012373512,0.0012373512,GGA,Pc,A2B18C2D_mP46_7_2a_18a_2a_a:As-F-Sb-Sn,46.0,"Invalid WP multiplicities - A2B18C2D_mP46_7_2a_32a_2a_a:As-F-Sb-Sn, expected SnSb2As2F32 to be SnSb2As2F18" +mp-1201723,Sn3SbF9,-5.1747436956,-2.60851081,0.0,-0.0025603777,GGA,Pbcm,A9BC3_oP52_57_d4e_d_ce:F-Sb-Sn,52.0,A9BC3_oP52_57_d4e_d_ce:F-Sb-Sn +mp-27405,SnAsF7,-4.9775266889,-2.5276330186,0.0785534481,0.0785534481,GGA,R32,AB7C_hR81_155_bc_d3f_d:As-F-Sn,27.0,"Invalid WP multiplicities - AB7C_hR81_155_bc_d4f_d:As-F-Sn, expected SnAsF9 to be SnAsF7" +mp-27317,SbAsF8,-4.9666055075,-2.558610369,0.0,-0.015729492,GGA,P2_1/m,AB8C_mP20_11_e_4e2f_e:As-F-Sb,20.0,AB8C_mP20_11_e_4e2f_e:As-F-Sb +mp-675723,NbHg2F6,-4.9411140406000005,-2.4769429767,0.1018848636,0.1018848636,GGA,C2/c,A6B2C_mC36_15_2e2f_ac_e:F-Hg-Nb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4e5f_ac_e:F-Hg-Nb, expected NbHg2F14 to be NbHg2F6" +mp-28357,NbHg3F6,-4.591668967,-2.343546973,0.0,-0.0452038335,GGA,P-31m,A6B3C_hP10_162_k_ac_b:F-Hg-Nb,10.0,A6B3C_hP10_162_k_ac_b:F-Hg-Nb +mp-1113939,Rb2NbHgF6,-5.167549574,-2.7840568385,0.1292387495,0.1292387495,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Nb-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Nb-Rb +mp-510070,Sr3NiRhO6,-6.6485858059,-2.294671517,0.0017696897,0.0017696897,GGA+U,R-3c,AB6CD3_hR66_167_a_f_b_e:Ni-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Ni-O-Rh-Sr +mp-1110974,Cs2LiMoF6,-5.561169713,-2.9597445604,0.0,-0.080932698,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Mo,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Mo +mp-698001,La5Re3NiO16,-8.8222131844,-2.9445822588,0.0371428546,0.0371428546,GGA+U,P-1,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Ni-O-Re,50.0,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Ni-O-Re +mp-1223186,La4Re(NiO4)3,-8.06160023,-2.617138721,0.1525422678,0.1525422678,GGA+U,P4/mmm,A4B3C12D_tP20_123_i_abc_ghjk_d:La-Ni-O-Re,20.0,"Invalid WP multiplicities - A4B3C12D_tP20_123_i_abc_2g2h4j4k_d:La-Ni-O-Re, expected La4ReNi3O40 to be La4Re(NiO4)3" +mp-1078601,La2ReNiO6,-8.381406487,-2.6037254527,0.2504285115,0.2504285115,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Re +mp-7151,CsUCuSe3,-5.7776259908,-1.3153337433,0.0,-0.1915662826,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Cu-Se-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cs-Cu-Se-U, expected CsUCuSe5 to be CsUCuSe3" +mp-14718,Na2MnCrF7,-6.2024341592,-3.0351190573,0.0136396192,0.0136396192,GGA+U,P3_121,AB7CD2_hP66_152_ab_7c_c_abc:Cr-F-Mn-Na,66.0,AB7CD2_hP66_152_ab_7c_c_abc:Cr-F-Mn-Na +mp-18641,NaMnCrF6,-6.5646253689,-3.0527962733,0.0,-0.0158471222,GGA+U,P321,AB6CD_hP27_150_ad_3g_f_e:Cr-F-Mn-Na,27.0,"Invalid WP multiplicities - AB6CD_hP27_150_ad_4g_f_e:Cr-F-Mn-Na, expected NaMnCrF8 to be NaMnCrF6" +mp-1214125,Ca2ScNbO6,-8.521399955,-3.5088893377,0.0,-0.0145645712,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Nb-O-Sc,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Nb-O-Sc +mp-1201443,Cs3Nb9(TeO8)4,-8.130716347,-2.6210243718,0.0,-0.0097910781,GGA,Cmcm,A3B9C32D4_oC192_63_cg_a2e2g_2c5g5h_eg:Cs-Nb-O-Te,96.0,A3B9C32D4_oC192_63_cg_a2e2g_2c5g5h_eg:Cs-Nb-O-Te +mp-555267,CuHgSBr,-3.0818829463,-0.5587916383,0.0308527133,0.0308527133,GGA,Pmma,ABCD_oP16_51_2f_j_ae_i:Br-Cu-Hg-S,16.0,ABCD_oP16_51_2f_j_ae_i:Br-Cu-Hg-S +mp-554879,CuHgSBr,-3.0838977106,-0.5608064027,0.028837949,0.028837949,GGA,Pbam,ABCD_oP32_55_2g_2g_2h_2h:Br-Cu-Hg-S,32.0,"Invalid WP multiplicities - ABCD_oP32_55_5g_3g_4h_5h:Br-Cu-Hg-S, expected Cu3Hg4(SBr)5 to be CuHgSBr" +mp-555645,CuHgSBr,-3.0798970406,-0.5568057327,0.032838619,0.032838619,GGA,Pbam,ABCD_oP32_55_2h_2h_acg_2g:Br-Cu-Hg-S,32.0,"Invalid WP multiplicities - ABCD_oP16_51_5f_j_2a2e_i:Br-Cu-Hg-S, expected Cu2Hg4S2Br5 to be CuHgSBr" +mp-1078874,Ba2CeTaO6,-8.617054019,-3.4861591257,0.0,-0.0185972186,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Ce-O-Ta,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Ce-O-Ta +mp-736257,TeAs2(C12Cl)4,-6.9148669691,1.5002536306,1.6148909477,1.6148909477,GGA,P2_1/c,A2B48C4D_mP110_14_e_24e_2e_a:As-C-Cl-Te,110.0,A2B48C4D_mP110_14_e_24e_2e_a:As-C-Cl-Te +mp-1228336,Ba3Dy2MoO9,-7.868725785,-3.1796359842,0.0,-0.022161468,GGA+U,Immm,A3B2CD9_oI60_71_fn_abg_h_e3ln:Ba-Dy-Mo-O,30.0,"Invalid WP multiplicities - A3B2CD9_oI60_71_2f2n_abg_h_2e12l2n:Ba-Dy-Mo-O, expected Ba6Dy2MoO30 to be Ba3Dy2MoO9" +mp-1206026,Ba2DyMoO6,-7.935553723,-3.0385018132,0.0,-0.0243849573,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Dy-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Dy-Mo-O +mp-1201452,Nd4InSbS9,-6.0283852974,-1.816297064,0.0,-0.0042861069,GGA,P4_32_12,AB4C9D_tP120_96_b_4b_2a8b_b:In-Nd-S-Sb,120.0,AB4C9D_tP120_96_b_4b_2a8b_b:In-Nd-S-Sb +mp-770995,Co2HgO4,-5.9718851618,-1.0708750475,0.0,-0.0056998421,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Co-Hg-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_ce_2ab_3e2g:Co-Hg-O, expected Co4Hg3O14 to be Co2HgO4" +mp-2237174,Co2HgO4,-5.8486251171,-0.9476150029,0.1232600446,0.1175602025,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Co-Hg-O,14.0,A2BC4_tI28_141_c_b_h:Co-Hg-O +mp-754069,Co2HgO4,-5.9280883307,-1.0270782164,0.0437968311,0.0380969889,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Hg-O,14.0,A2BC4_cF56_227_c_b_e:Co-Hg-O +mp-2232298,MgCo4(HgO4)2,-5.8608562353,-1.179894792,0.2209851088,0.2209851088,GGA+U,P1,A4B2CD8_aP15_1_4a_2a_a_8a:Co-Hg-Mg-O,15.0,A4B2CD8_aP15_1_4a_2a_a_8a:Co-Hg-Mg-O +mp-2233075,MgCo4(HgO4)2,-5.51152283,-0.8305613867,0.5703185142,0.5703185142,GGA+U,Cm,A4B2CD8_mC30_8_2ab_2a_a_4a2b:Co-Hg-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_8_2ab_2a_a_4a4b:Co-Hg-Mg-O, expected MgCo4(HgO6)2 to be MgCo4(HgO4)2" +mp-554052,SmSbMo2O9,-8.1496758713,-2.3759000255,0.0019588239,0.0019588239,GGA+U,C2/c,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Sm,52.0,"Invalid WP multiplicities - A2B9CD_mC104_15_6f_34f_f_3e:Mo-O-Sb-Sm, expected Sm3Sb2(Mo3O17)4 to be SmSbMo2O9" +mp-1210797,Li2MgGeO4,-6.2573325162,-2.5288439558,0.0,-0.0232660463,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Ge-Li-Mg-O,16.0,AB2CD4_oP16_31_a_b_a_2ab:Ge-Li-Mg-O +mp-1222820,Li2MgGeO4,-6.2546016247,-2.5261130643,0.0027308916,-0.0205351547,GGA,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:Ge-Li-Mg-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_33_a_2a_a_9a:Ge-Li-Mg-O, expected Li2MgGeO9 to be Li2MgGeO4" +mp-622558,DyFeGe2O7,-7.6590465505,-2.4818024833,0.0040986524,0.0040986524,GGA+U,P2_1/m,ABC2D7_mP44_11_f_f_4e_6e4f:Dy-Fe-Ge-O,44.0,"Invalid WP multiplicities - ABC2D7_mC44_12_g_h_4i_12i14j:Dy-Fe-Ge-O, expected DyFe(GeO10)4 to be DyFeGe2O7" +mp-1210941,LiMg4SnO8,-5.9809400068,-2.2742882488,0.1855711904,0.1855711904,GGA,P6_3mc,AB4C8D_hP28_186_a_bc_ab2c_b:Li-Mg-O-Sn,28.0,AB4C8D_hP28_186_a_bc_ab2c_b:Li-Mg-O-Sn +mp-1225061,Er2Cu3Si,-4.8913368017,-0.4149408583,0.0491531608,0.0491531608,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Cu-Er-Si,6.0,A3B2C_oP6_25_a2b_cd_a:Cu-Er-Si +mp-1212927,Er3Cu11Si4,-4.7878668492,-0.3158834092,0.0584884431,0.0584884431,GGA,P6_3/mmc,A11B3C4_hP36_194_fhk_h_bg:Cu-Er-Si,36.0,A11B3C4_hP36_194_fhk_h_bg:Cu-Er-Si +mp-558980,Er3CuSiS7,-6.1422252271,-1.7936560439,0.0,-0.0130881621,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Er-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b7c_b:Cu-Er-S-Si, expected Er3CuSiS22 to be Er3CuSiS7" +mp-4305,Er(CuSi)2,-5.275864906,-0.5525112640000001,0.0,-0.0932233975,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cu-Er-Si,5.0,A2BC2_tI10_139_d_a_e:Cu-Er-Si +mp-5454,Er3(CuSi)4,-5.3218135064,-0.6126084855,0.0,-0.0096744382,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Er-Si,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Er-Si +mp-1225494,ErCuSi,-5.3115895533,-0.6141750500000001,0.0307779833,-0.0172644358,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-Er-Si,3.0,ABC_hP3_187_a_d_e:Cu-Er-Si +mp-8122,ErCuSi,-5.3423675367,-0.6449530333,0.0,-0.0480424192,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Er-Si,6.0,ABC_hP6_194_c_a_d:Cu-Er-Si +mp-1225070,Er2CuSi3,-5.5713971017,-0.6529640383,0.0,-0.0282519242,GGA,Imm2,AB2C3_oI12_44_a_ab_a2b:Cu-Er-Si,6.0,AB2C3_oI12_44_a_ab_a2b:Cu-Er-Si +mp-1225949,Er2Ti12(CuO4)9,-8.1239478866,-2.7196259297000003,0.0562177269,0.0562177269,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Er-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_2f2g_d_32g_a2d3e3g:Cu-Er-O-Ti, expected ErTi16(Cu3O32)3 to be Er2Ti12(CuO4)9" +mp-1225752,Er2TiCuO6,-8.223446515,-3.1424196576,0.1673635478,0.1673635478,GGA,P-6m2,AB2C6D_hP10_187_c_g_abhi_f:Cu-Er-O-Ti,10.0,"Invalid WP multiplicities - AB2C6D_hP10_187_c_g_ab2h2i_f:Cu-Er-O-Ti, expected Er2TiCuO10 to be Er2TiCuO6" +mp-1182655,Cr3Fe2O15,-7.0962981303,-1.0913223553,0.3019089512,0.3019089512,GGA+U,P2_1/c,A3B2C15_mP80_14_3e_2e_15e:Cr-Fe-O,80.0,A3B2C15_mP80_14_3e_2e_15e:Cr-Fe-O +mp-754792,CrFeO4,-7.9495432096,-1.6312392887,0.1293194596,0.1293194596,GGA+U,C2/m,ABC4_mC48_12_gi_hi_2i3j:Cr-Fe-O,24.0,"Invalid WP multiplicities - ABC4_mC48_12_g2i_h2i_4i5j:Cr-Fe-O, expected Cr3Fe3O14 to be CrFeO4" +mp-768478,CrFeO4,-7.9402783142,-1.6219743933,0.138584355,0.138584355,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Fe-O,12.0,"Invalid WP multiplicities - ABC4_oC24_63_c_a_f2g:Cr-Fe-O, expected CrFeO6 to be CrFeO4" +mp-1208083,TlCr2FeO8,-7.4466650058,-1.6373092569,0.0,-0.002036953,GGA+U,C2/m,A2BC8D_mC24_12_i_a_2ij_c:Cr-Fe-O-Tl,12.0,A2BC8D_mC24_12_i_a_2ij_d:Cr-Fe-O-Tl +mp-1208422,TlCr2FeO8,-7.4345898702,-1.6252341213,0.0120751356,0.0100381826,GGA+U,Pnma,A2BC8D_oP48_62_2c_c_4c2d_c:Cr-Fe-O-Tl,48.0,A2BC8D_oP48_62_2c_c_4c2d_c:Cr-Fe-O-Tl +mp-607310,TlFeO2,-6.40491287,-1.2234024252,0.1516577156,0.1516577156,GGA+U,R-3m,AB2C_hR24_166_c_ad_c:Fe-O-Tl,8.0,"Invalid WP multiplicities - AB2C_hR24_166_c_a2d_c:Fe-O-Tl, expected Tl2Fe2O7 to be TlFeO2" +mp-1178920,TlFeO2,-6.3513986875,-1.1698882427,0.2051718981,0.2051718981,GGA+U,R-3m,AB2C_hR24_166_c_ad_c:Fe-O-Tl,8.0,AB2C_cF32_227_a_c_b:Fe-O-Tl +mp-18828,TlFeO2,-6.3492507637,-1.167740319,0.2073198219,0.2073198219,GGA+U,Fd-3m,AB2C_cF32_227_a_c_b:Fe-O-Tl,8.0,AB2C_cF32_227_a_c_b:Fe-O-Tl +mp-756710,Cr3(FeO4)2,-8.5000646723,-1.9252420169,0.1148869481,0.1148869481,GGA+U,R3m,A3B2C8_hR39_160_b_2a_2a2b:Cr-Fe-O,13.0,A3B2C8_hR39_160_b_2a_2a2b:Cr-Fe-O +mp-1208152,TlCr2FeO10,-6.7477151143,-1.0615975136,0.3560333364,0.3560333364,GGA+U,C2/m,A2BC10D_mC28_12_i_a_3ij_c:Cr-Fe-O-Tl,14.0,A2BC10D_mC28_12_i_a_3ij_d:Cr-Fe-O-Tl +mp-1192780,Cr2FeO4,-8.8935202679,-2.0988244114,0.0822898929,0.0156137021,GGA+U,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Fe-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_4c_c_4c:Cr-Fe-O, expected Cr4FeO4 to be Cr2FeO4" +mp-1104802,Cr2FeO4,-8.8458439057,-2.0511480493,0.129966255,0.0632900643,GGA+U,Cmcm,A2BC4_oC28_63_f_c_acf:Cr-Fe-O,14.0,A2BC4_oC28_63_f_c_acf:Cr-Fe-O +mp-35432,Cr2FeO4,-8.75342567,-1.9587298136,0.2223844907,0.1557083,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Cr-Fe-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_4h3i:Cr-Fe-O, expected Cr2FeO14 to be Cr2FeO4" +mp-1104680,Cr2FeO4,-8.9758101607,-2.1811143043,0.0,-0.0666761907,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Fe-O,14.0,A2BC4_tI28_141_c_b_h:Cr-Fe-O +mp-20168,Cr2FeO4,-8.9730227607,-2.1783269043,0.0027873999999999,-0.0638887907,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Fe-O,14.0,A2BC4_oF56_70_c_b_h:Cr-Fe-O +mp-1245166,CrFe7O12,-7.9157300771,-1.5005570534,0.2897347279,0.2897347279,GGA+U,P1,AB7C12_aP80_1_4a_28a_48a:Cr-Fe-O,80.0,AB7C12_aP80_1_4a_28a_48a:Cr-Fe-O +mp-1244876,CrFeO3,-7.871101631,-1.2784746682,0.7591282690000001,0.7591282690000001,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1244905,CrFeO3,-8.1999790779,-1.6073521151,0.4302508221,0.4302508221,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245072,CrFeO3,-8.1828538634,-1.5902269006,0.4473760366,0.4473760366,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245144,CrFeO3,-8.2224764833,-1.6298495205,0.4077534167,0.4077534167,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245147,CrFeO3,-8.1717898558,-1.579162893,0.4584400442,0.4584400442,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245179,CrFeO3,-8.2312135842,-1.6385866215,0.3990163157,0.3990163157,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245204,CrFeO3,-8.2486571058,-1.6560301430000002,0.3815727942,0.3815727942,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1245260,CrFeO3,-8.2227127663,-1.6300858035,0.4075171337,0.4075171337,GGA+U,P1,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O,80.0,ABC3_aP80_1_16a_16a_48a:Cr-Fe-O +mp-1078458,CrFeO3,-8.620241222,-2.0276142592,0.009988678,0.009988678,GGA+U,R-3,ABC3_hR30_148_c_c_f:Cr-Fe-O,10.0,ABC3_hR30_148_c_c_f:Cr-Fe-O +mp-505819,TlFeO3,-6.4935586285,-1.3590125304,0.04728097,0.04728097,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Fe-O-Tl,20.0,AB3C_oP20_62_a_cd_c:Fe-O-Tl +mp-1042994,Cr3(FeO6)2,-7.8000422171,-1.6083099015,0.0307857532,-0.0061362012,GGA+U,P-1,A3B2C12_aP34_2_3i_2i_12i:Cr-Fe-O,34.0,A3B2C12_aP34_2_3i_2i_12i:Cr-Fe-O +mp-776667,Cr3(FeO6)2,-7.8308279703,-1.6390956547000002,0.0,-0.0369219544,GGA+U,P2_1/c,A3B2C12_mP68_14_3e_2e_12e:Cr-Fe-O,68.0,"Invalid WP multiplicities - A3B2C12_mP68_14_11e_3e_43e:Cr-Fe-O, expected Cr11Fe3O43 to be Cr3(FeO6)2" +mp-772616,Cr3(FeO6)2,-7.8283184193,-1.6365861037,0.002509551,-0.0344124034,GGA+U,Pbcn,A3B2C12_oP68_60_cd_d_6d:Cr-Fe-O,68.0,"Invalid WP multiplicities - A3B2C12_oP68_60_2c2d_d_21d:Cr-Fe-O, expected Cr3FeO21 to be Cr3(FeO6)2" +mp-771184,Cr10Fe5O24,-8.5723945279,-1.9672378659,0.1151665104,0.1151665104,GGA+U,Cm,A10B5C24_mC78_8_4a3b_5a_12a6b:Cr-Fe-O,39.0,"Invalid WP multiplicities - A10B5C24_mC78_8_4a4b_5a_12a8b:Cr-Fe-O, expected Cr12Fe5O28 to be Cr10Fe5O24" +mp-1244873,Cr3FeO6,-8.529224105800001,-1.818294517,0.3841825243,0.3841825243,GGA+U,P1,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O,80.0,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O +mp-1244931,Cr3FeO6,-8.5557906984,-1.8448611096,0.3576159316,0.3576159316,GGA+U,P1,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O,80.0,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O +mp-1244976,Cr3FeO6,-8.4713281331,-1.7603985444,0.4420784969,0.4420784969,GGA+U,P1,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O,80.0,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O +mp-1245016,Cr3FeO6,-8.5422875995,-1.8313580108,0.3711190305,0.3711190305,GGA+U,P1,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O,80.0,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O +mp-1245083,Cr3FeO6,-8.5221565765,-1.8112269877,0.3912500535,0.3912500535,GGA+U,P1,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O,80.0,A3BC6_aP80_1_24a_8a_48a:Cr-Fe-O +mp-754205,CrFe2O5,-8.1747422437,-1.758925563,0.0766895394,0.0766895394,GGA+U,C2/c,AB2C5_mC32_15_a_f_e2f:Cr-Fe-O,16.0,"Invalid WP multiplicities - AB2C5_mC32_15_c_f_2e5f:Cr-Fe-O, expected Cr(FeO6)2 to be CrFe2O5" +mp-755208,CrFe2O5,-8.1700464231,-1.7542297423000002,0.08138536,0.08138536,GGA+U,Cmcm,AB2C5_oC32_63_c_f_c2f:Cr-Fe-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_63_c_f_c5f:Cr-Fe-O, expected CrFe2O11 to be CrFe2O5" +mp-1196629,Cr4Fe2O19,-6.986216377,-1.0046436644,0.3592437709,0.3592437709,GGA+U,P2/c,A4B2C19_mP50_13_2g_af_e9g:Cr-Fe-O,50.0,A4B2C19_mP50_13_2g_af_e9g:Cr-Fe-O +mp-1178459,Cr12Fe7O48,-7.6663274731,-1.5085994694,0.0865502483,0.0865502483,GGA+U,P1,A12B7C48_aP67_1_12a_7a_48a:Cr-Fe-O,67.0,A12B7C48_aP67_1_12a_7a_48a:Cr-Fe-O +mp-773201,Cr12Fe7O48,-7.6335682154,-1.4758402116,0.119309506,0.119309506,GGA+U,P1,A12B7C48_aP67_1_12a_7a_48a:Cr-Fe-O,67.0,A12B7C48_aP67_1_12a_7a_48a:Cr-Fe-O +mp-1244957,Cr7FeO12,-8.6653228983,-1.8952419965,0.3896720967,0.3896720967,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1245032,Cr7FeO12,-8.644530337,-1.8744494352,0.410464658,0.410464658,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1245071,Cr7FeO12,-8.6742070107,-1.904126109,0.3807879843,0.3807879843,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1245230,Cr7FeO12,-8.6505004815,-1.8804195797,0.4044945135,0.4044945135,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1245235,Cr7FeO12,-8.5875284905,-1.8174475887,0.4674665045,0.4674665045,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1245241,Cr7FeO12,-8.6315475415,-1.8614666397,0.4234474535,0.4234474535,GGA+U,P1,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O,80.0,A7BC12_aP80_1_28a_4a_48a:Cr-Fe-O +mp-1244915,Cr(FeO2)3,-7.6334363515,-1.1591120148,0.7136168185,0.7136168185,GGA+U,P1,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O,80.0,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O +mp-1245073,Cr(FeO2)3,-7.9619605507,-1.487636214,0.3850926192,0.3850926192,GGA+U,P1,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O,80.0,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O +mp-1245256,Cr(FeO2)3,-8.0138194324,-1.5394950956,0.3332337376,0.3332337376,GGA+U,P1,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O,80.0,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O +mp-1245289,Cr(FeO2)3,-8.0020812099,-1.5277568731,0.3449719601,0.3449719601,GGA+U,P1,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O,80.0,AB3C6_aP80_1_8a_24a_48a:Cr-Fe-O +mp-1245871,MgGaN,-4.630777215,-0.3091535492,0.3343173332,0.3343173332,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Mg-N,12.0,ABC_oP12_62_c_c_c:Ga-Mg-N +mp-1026623,SrMg14Ga,-1.6886296125,0.0064647735,0.0828865513,0.0828865513,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Sr, expected SrMg18Ga to be SrMg14Ga" +mp-1026574,SrMg14Ga,-1.6707476694,0.0243467166,0.1007684945,0.1007684945,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Sr, expected SrMg26Ga to be SrMg14Ga" +mp-1218201,SrMg2(GaN2)2,-5.7214221678,-0.8000638013,0.0,-0.0185434644,GGA,Cm,A2B2C4D_mC18_8_2a_2a_4a_a:Ga-Mg-N-Sr,9.0,A2B2C4D_mC18_8_2a_2a_4a_a:Ga-Mg-N-Sr +mp-1016332,SrMg6Ga,-1.78199309,0.007915632,0.1357180367,0.1357180367,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Sr, expected SrMg12Ga to be SrMg6Ga" +mp-1016442,SrMg6Ga,-1.8008633238,-0.0109546018,0.116847803,0.116847803,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:Ga-Mg-Sr +mp-1247451,Mg3Ga3N5,-5.6567055927,-0.6051053343,0.1602133399,0.1602133399,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ga-Mg-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ga-Mg-N +mp-1246041,Mg3(GaN2)2,-5.5553851467,-0.6439393806,0.145490806,0.145490806,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Ga-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:Ga-Mg-N +mp-1246046,Mg3(GaN2)2,-5.5041029336000005,-0.5926571675,0.196773019,0.196773019,GGA,Pnna,A2B3C4_oP36_52_cd_ce_2e:Ga-Mg-N,36.0,A2B3C4_oP36_52_cd_ce_2e:Ga-Mg-N +mp-1215384,Zr3TiCu2,-7.0725233433,-0.1163554689,0.0136520583,0.0136520583,GGA,P4mm,A2BC3_tP6_99_ab_a_a2b:Cu-Ti-Zr,6.0,A2BC3_tP6_99_ab_a_a2b:Cu-Ti-Zr +mp-1215192,ZrTiCuS4,-6.8073615079,-1.5090473958,0.0081184971,0.0081184971,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cu-S-Ti-Zr,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cu-S-Ti-Zr, expected ZrTiCuS8 to be ZrTiCuS4" +mp-1215181,ZrTiCu,-6.9559036467,-0.1084372078,0.0174557167,0.0174557167,GGA,I4mm,ABC_tI6_107_a_a_a:Cu-Ti-Zr,3.0,ABC_tI6_107_a_a_a:Cu-Ti-Zr +mp-1215190,ZrTiS6,-6.5976431187,-1.4399066378,0.0190421319,0.0190421319,GGA,Pm,A6BC_mP8_6_3a3b_a_b:S-Ti-Zr,8.0,A6BC_mP8_6_3a3b_a_b:S-Ti-Zr +mp-1215189,ZrTiS4,-7.1940618283,-1.6958964760000002,0.03264672,0.03264672,GGA,P-3m1,A4BC_hP6_164_2d_a_b:S-Ti-Zr,6.0,"Invalid WP multiplicities - A4BC_hP6_164_3d_a_b:S-Ti-Zr, expected ZrTiS6 to be ZrTiS4" +mp-1214285,BeSi(AgO2)2,-6.3925364294,-2.065461711,0.0585022499,0.0585022499,GGA,Pca2_1,A2BC4D_oP64_29_4a_2a_8a_2a:Ag-Be-O-Si,64.0,A2BC4D_oP64_29_4a_2a_8a_2a:Ag-Be-O-Si +mp-1183417,BeAgO3,-5.063098896,-0.7806918956000001,0.6504620442,0.6504620442,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Be-O,5.0,ABC3_cP5_221_a_b_c:Ag-Be-O +mp-1041173,Be3Si3(AgO6)2,-6.9409101869,-2.3149317255,0.183363025,0.183363025,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Ag-Be-O-Si,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_2e_4e_17e_3e:Ag-Be-O-Si, expected Be4Si3Ag2O17 to be Be3Si3(AgO6)2" +mp-1229260,Cs3Eu(Si2O5)3,-7.8826864527,-3.0948685421,0.0,-0.0257424411,GGA,P2_1/c,A3BC15D6_mP100_14_3e_e_15e_6e:Cs-Eu-O-Si,100.0,A3BC15D6_mP100_14_3e_e_15e_6e:Cs-Eu-O-Si +mp-21618,NdAl3(PbO4)2,-7.4776739075,-2.9774111395,0.0,-0.0070917103,GGA,Pn-3m,A3BC8D2_cP56_224_f_b_ek_e:Al-Nd-O-Pb,56.0,"Invalid WP multiplicities - A3BC8D2_cP56_224_f_b_3e4k_e:Al-Nd-O-Pb, expected NdAl3(PbO15)2 to be NdAl3(PbO4)2" +mp-28159,As(BrF2)3,-3.774909281,-1.696201561,0.0,-0.093131334,GGA,P-1,AB3C6_aP20_2_i_3i_6i:As-Br-F,20.0,AB3C6_aP20_2_i_3i_6i:As-Br-F +mp-1229037,AsSe3(BrF2)3,-3.9638873272,-1.5581325862000002,0.0147107639,0.0147107639,GGA,P1,AB3C6D3_aP39_1_3a_9a_18a_9a:As-Br-F-Se,39.0,AB3C6D3_aP39_1_3a_9a_18a_9a:As-Br-F-Se +mp-1214921,AsSe(BrF2)3,-4.0302434323,-1.822699007,0.0,-0.031576716,GGA,P2_1/c,AB3C6D_mP44_14_e_3e_6e_e:As-Br-F-Se,44.0,AB3C6D_mP44_14_e_3e_6e_e:As-Br-F-Se +mp-1112544,Cs2TlAsI6,-2.859277701,-1.0940012614,0.0,-0.0027705515,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-Tl +mp-1206176,Rb2NaCuF6,-4.46181597,-2.5766485787,0.0,-0.080848897,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Na-Rb +mp-1207276,Sm2Se2F,-4.72370625,-1.0556114114,1.6722721435,1.6722721435,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Se-Sm,5.0,AB2C2_tP5_123_a_g_g:F-Se-Sm +mp-1208978,Sm2CuSe2F,-4.677084585,-0.9371377745,1.3360985212,1.3360985212,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-F-Se-Sm,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-F-Se-Sm +mp-22392,SmCuSeF,-5.5523781375,-1.996082325,0.3908803594,0.3908803594,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-F-Se-Sm,8.0,ABCD_tP8_129_a_b_c_c:Cu-F-Se-Sm +mp-1216227,Y(Fe5Re)2,-8.96096758,-0.0336031505,0.0167560725,0.0167560725,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-Re-Y,13.0,A10B2C_oI26_71_efhk_g_a:Fe-Re-Y +mp-1216026,YFe11Re,-8.6384801254,-0.0168469247,0.0181522336,0.0181522336,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Re-Y,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Re-Y +mp-1215958,YFeCo,-7.4925218667,-0.1442518272,0.0,-0.0105062114,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-Y,6.0,ABC_oI12_74_a_c_e:Co-Fe-Y +mp-1216006,YFe6Co5Re,-8.1259079308,-0.0280068128,0.0668871572,0.0668871572,GGA,Imm2,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-Re-Y,13.0,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-Re-Y +mp-1233301,Sm4Tm4MgO12,-8.2320007619,-3.5777992944,0.2119005404,0.2119005404,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-Tm +mp-1234604,Sm4Tm4MgO12,-8.2086599338,-3.5544584663,0.2352413685,0.2352413685,GGA,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-Tm,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-Tm +mp-1233035,Sm4Tm4MgO12,-8.1565344843,-3.5023330167,0.287366818,0.287366818,GGA,Pm,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Mg-O-Sm-Tm,21.0,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Mg-O-Sm-Tm +mp-1233218,Sm4Tm4MgO12,-8.1637393833,-3.5095379158,0.280161919,0.280161919,GGA,Pm,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Mg-O-Sm-Tm,21.0,AB12C4D4_mP21_6_a_2a2b4c_2a2b_2c:Mg-O-Sm-Tm +mp-978512,SmTmMg2,-3.179014625,-0.0802692104,0.0,-0.0012919025,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Sm-Tm,4.0,A2BC_cF16_225_c_a_b:Mg-Sm-Tm +mp-1223231,KTl(CoSe)4,-5.129044023,-0.5400481046,0.0359640592,0.0359640592,GGA,P4/mmm,A4BC4D_tP10_123_i_a_gh_d:Co-K-Se-Tl,10.0,"Invalid WP multiplicities - A4BC4D_tP10_123_i_a_2gh_d:Co-K-Se-Tl, expected KTl(Co2Se3)2 to be KTl(CoSe)4" +mp-1211225,KTlSe2,-3.4959643913000003,-0.8797481290000001,0.0,-0.0161947849,GGA,I4/mcm,AB2C_tI16_140_a_h_b:K-Se-Tl,8.0,AB2C_tI16_140_a_h_b:K-Se-Tl +mp-4668,K(CoSe)2,-5.131492318,-0.6677208195000001,0.0251062858,0.0251062858,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-K-Se,5.0,A2BC2_tI10_139_d_a_e:Co-K-Se +mp-14795,K6CoSe4,-3.6236926286,-1.1005692298,0.0202738571,0.0202738571,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Co-K-Se,22.0,AB6C4_hP22_186_b_2c_bc:Co-K-Se +mp-8768,K2CoSe2,-4.184459353,-0.9202716241,0.0408805917,0.0408805917,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-K-Se,10.0,AB2C2_oI20_72_a_j_j:Co-K-Se +mp-1223476,KTl4(CoSe)10,-5.1241917632,-0.4600611928,0.045862006,0.045862006,GGA,I4/mmm,A10BC10D4_tI50_139_d2g_a_5e_2e:Co-K-Se-Tl,25.0,"Invalid WP multiplicities - A10BC10D4_tI50_139_2d7g_a_9e_3e:Co-K-Se-Tl, expected KTl6(Co16Se9)2 to be KTl4(CoSe)10" +mp-676937,Ta8Pb6O25,-9.0280043908,-2.8535089743,0.0,-0.0061905103,GGA,C2,A25B6C8_mC78_5_2a3b10c_3c_4c:O-Pb-Ta,39.0,"Invalid WP multiplicities - A25B6C8_mC78_5_2a3b19c_3c_8c:O-Pb-Ta, expected Ta16Pb6O43 to be Ta8Pb6O25" +mp-755663,Ta2Pb2O7,-8.7060263414,-2.727147216,0.0,-0.0025737661,GGA,Cmc2_1,A7B2C2_oC44_36_7a_2a_2a:O-Pb-Ta,22.0,A7B2C2_oC44_36_14a_4a_4a:O-Pb-Ta +mp-755731,Ta2Pb2O7,-8.6781099741,-2.6992308487,0.0279163673,0.0253426012,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pb-Ta,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2af_c_d:O-Pb-Ta, expected TaPbO4 to be Ta2Pb2O7" +mp-1194594,Ta4PbO11,-9.7454030375,-3.1480696991,8.31358e-05,8.31358e-05,GGA,R32,A11BC4_hR96_155_2cde2f_c_cde:O-Pb-Ta,32.0,"Invalid WP multiplicities - A11BC4_hR96_155_4cde4f_c_cde:O-Pb-Ta, expected Ta4PbO19 to be Ta4PbO11" +mp-685995,Ta6Pb4O19,-9.0777408874,-2.8713843504,0.0262733507,0.0261597771,GGA,C2/m,A19B4C6_mC116_12_7i6j_ade2i_bcf2ij:O-Pb-Ta,58.0,"Invalid WP multiplicities - A19B4C6_mC116_12_14i20j_ace4i_bd2f3i3j:O-Pb-Ta, expected Ta2PbO9 to be Ta6Pb4O19" +mp-863066,Ta6Pb4O19,-9.1040142381,-2.8976577011,0.0,-0.0001135736,GGA,Imma,A19B4C6_oI116_74_3e2h3j_ach_bdgh:O-Pb-Ta,58.0,"Invalid WP multiplicities - A19B4C6_oI116_74_5e5h14j_2ac3h_2bdg3h:O-Pb-Ta, expected Ta11Pb9O71 to be Ta6Pb4O19" +mp-550579,ScTa(PbO3)2,-8.296882806,-2.7673154918,0.0189320071,0.0189320071,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Pb-Sc-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:O-Pb-Sc-Ta +mp-761132,Ta5Pb11O26,-7.7128029214,-2.2665669116,0.0157807784,0.0157807784,GGA,C2/m,A26B11C5_mC84_12_5i4j_abc2ij_def:O-Pb-Ta,42.0,"Invalid WP multiplicities - A26B11C5_mC84_12_9i16j_abc4i2j_def:O-Pb-Ta, expected Ta5Pb19O82 to be Ta5Pb11O26" +mp-771771,Ta2PbO6,-9.3157755108,-2.970405,0.0312705733,0.0162880782,GGA,Pbcn,A6BC2_oP36_60_3d_c_d:O-Pb-Ta,36.0,"Invalid WP multiplicities - A6BC2_oP36_60_9d_c_d:O-Pb-Ta, expected Ta2PbO18 to be Ta2PbO6" +mp-771957,Ta2PbO6,-9.3470460842,-3.0016755733,0.0,-0.0149824952,GGA,Pnma,A6BC2_oP36_62_2c2d_c_d:O-Pb-Ta,36.0,"Invalid WP multiplicities - A6BC2_oP36_62_8c5d_c_d:O-Pb-Ta, expected Ta2PbO18 to be Ta2PbO6" +mp-540621,SrGa2(GeO4)2,-6.8058483535,-2.4546752074,0.0,-0.0380602602,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Ga-Ge-O-Sr,52.0,A2B2C8D_mP52_14_2e_2e_8e_e:Ga-Ge-O-Sr +mp-1213189,CsLu(MoO4)2,-8.0508925142,-2.4941289473,0.0941363208,0.0649654241,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-Lu-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-Lu-Mo-O +mp-1213334,CsLu(MoO4)2,-8.1059057617,-2.5491421948,0.0391230733,0.0099521766,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Cs-Lu-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Cs-Lu-Mo-O +mp-1213076,CsLu(MoO4)2,-8.145028835,-2.5882652682,0.0,-0.0291708968,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Cs-Lu-Mo-O,12.0,ABC2D8_hP12_164_a_b_d_di:Cs-Lu-Mo-O +mp-647805,Ce21Fe8Bi7C12,-7.3566241958,-0.4819897843,0.0,-0.1091278792,GGA,Fm-3m,A7B12C21D8_cF192_225_ae_g_bfh_f:Bi-C-Ce-Fe,48.0,"Invalid WP multiplicities - A7B12C21D8_cF192_225_ae_g_b4f4h_f:Bi-C-Ce-Fe, expected Ce81Fe8Bi7C12 to be Ce21Fe8Bi7C12" +mp-1191404,Ce2Fe17C3,-8.3935474745,-0.0507049583,0.0073955868,0.0073955868,GGA,R-3m,A3B2C17_hR66_166_e_c_cdfh:C-Ce-Fe,22.0,A3B2C17_hR66_166_e_c_cdfh:C-Ce-Fe +mp-1227149,Ce2Fe17C,-8.046889593,0.2073706256,0.2450004482,0.2450004482,GGA,C2/m,AB2C17_mC40_12_a_i_deg2i2j:C-Ce-Fe,20.0,"Invalid WP multiplicities - AB2C17_mC40_12_a_i_cf2g3i3j:C-Ce-Fe, expected Ce2Fe25C to be Ce2Fe17C" +mp-1215108,Ce2Fe14C,-8.2499014685,-0.033716719,0.0105536605,0.0105536605,GGA,P4_2/mnm,AB2C14_tP68_136_f_fg_ce2j2k:C-Ce-Fe,68.0,AB2C14_tP68_136_f_fg_ce2j2k:C-Ce-Fe +mp-1190690,Dy2Fe17N3,-8.3804591505,-0.2798491948,0.0905066625,0.0905066625,GGA,R-3m,A2B17C3_hR66_166_c_cdfh_e:Dy-Fe-N,22.0,A2B17C3_hR66_166_c_cdfh_e:Dy-Fe-N +mp-1200240,Dy2Fe17N3,-8.3794981402,-0.2788881845,0.0914676727,0.0914676727,GGA,P6_3/mmc,A2B17C3_hP44_194_bc_fgjk_h:Dy-Fe-N,44.0,A2B17C3_hP44_194_bc_fgjk_h:Dy-Fe-N +mp-1225621,DyTiFe11N,-8.3484356843,-0.2049351777,0.1241805771,0.1241805771,GGA,Imm2,AB11CD_oI28_44_a_a2b2ce_b_a:Dy-Fe-N-Ti,14.0,AB11CD_oI28_44_a_a2b2ce_b_a:Dy-Fe-N-Ti +mp-1210316,Nd2MnSi2H,-4.7061565967,0.7841221137000001,1.4389349183,1.4389349183,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:H-Mn-Nd-Si,6.0,ABC2D2_tP6_123_a_b_g_g:H-Mn-Nd-Si +mp-687204,NdReMoO8,-8.7254871336,-2.5771385502,0.0,-0.1021166639,GGA+U,P2_1/c,ABC8D_mP44_14_e_e_8e_e:Mo-Nd-O-Re,44.0,"Invalid WP multiplicities - ABC8D_mP44_14_e_e_28e_e:Mo-Nd-O-Re, expected NdReMoO28 to be NdReMoO8" +mp-29606,Rb2Zn3O4,-4.5149621428,-1.6786228294,0.0,-0.0218620658,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:O-Rb-Zn,18.0,"Invalid WP multiplicities - A4B2C3_mC36_15_2f_f_e2f:O-Rb-Zn, expected Rb2Zn5O4 to be Rb2Zn3O4" +mp-1209800,Rb2ZnGeO4,-5.4603364639,-2.006512157,0.0,-0.000859433,GGA,Pca2_1,AB4C2D_oP64_29_2a_8a_4a_2a:Ge-O-Rb-Zn,64.0,AB4C2D_oP64_29_2a_8a_4a_2a:Ge-O-Rb-Zn +mp-555977,Rb2ZnO2,-4.1717790025,-1.5489411670000002,0.0,-0.0883304808,GGA,P2_1/c,A2B2C_mP40_14_4e_4e_2e:O-Rb-Zn,40.0,"Invalid WP multiplicities - A2B2C_mP40_14_13e_13e_6e:O-Rb-Zn, expected Rb13Zn6O13 to be Rb2ZnO2" +mp-975159,RbZnO3,-4.297861338,-0.8817925747,0.418686624,0.418686624,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Zn,5.0,A3BC_cP5_221_c_a_b:O-Rb-Zn +mp-1041241,CaHo(MoO3)2,-8.571355522,-2.7754113982,0.0,-0.0016923157,GGA+U,Pc,ABC2D6_mP20_7_a_a_2a_6a:Ca-Ho-Mo-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_7_a_a_4a_12a:Ca-Ho-Mo-O, expected CaHo(MoO3)4 to be CaHo(MoO3)2" +mp-1206195,TbZn2AsO2,-4.4234679933,-0.8057431354,1.2146658583,1.2146658583,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:As-O-Tb-Zn,6.0,AB2CD2_tP6_123_a_g_b_g:As-O-Tb-Zn +mp-1220526,NbInBi2O7,-7.1825320859,-2.1679149942,0.0423680593,0.0423680593,GGA,Imma,A2BCD7_oI44_74_ac_b_d_3ej:Bi-In-Nb-O,22.0,"Invalid WP multiplicities - A2BCD7_oI44_74_ac_b_d_5e2j:Bi-In-Nb-O, expected NbInBi2O13 to be NbInBi2O7" +mp-1103642,Ag(Mo3Se4)2,-7.10572967,-0.7141464377000001,0.0760296222,0.0760296222,GGA,R-3,AB6C8_hR45_148_a_f_cf:Ag-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Ag-Mo-Se +mp-1229066,AgMo6(SeS)4,-7.3554610407,-0.7930675712,0.0826426582,0.0826426582,GGA,P1,AB6C4D4_aP15_1_a_6a_4a_4a:Ag-Mo-S-Se,15.0,AB6C4D4_aP15_1_a_6a_4a_4a:Ag-Mo-S-Se +mp-1105028,Ag(MoSe)3,-7.0697871364,-0.5187527412,0.116210164,0.116210164,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ag-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:Ag-Mo-Se +mp-1104431,Sm(Mo3Se4)2,-7.47979731,-0.9624787356,0.0414882792,0.0414882792,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Sm,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Sm +mp-685296,Sm5(Mo3Se4)12,-7.4693361698,-0.9318071185,0.0474082412,0.0474082412,GGA,P-1,A36B48C5_aP178_2_36i_48i_ab4i:Mo-Se-Sm,178.0,"Invalid WP multiplicities - A36B48C5_aP178_2_71i_96i_ab8i:Mo-Se-Sm, expected Sm9Mo71Se96 to be Sm5(Mo3Se4)12" +mp-1219032,SmMo6(SeS)4,-7.732237278699999,-1.0441084671,0.04594553,0.04594553,GGA,P1,A6B4C4D_aP15_1_6a_4a_4a_a:Mo-S-Se-Sm,15.0,A6B4C4D_aP15_1_6a_4a_4a_a:Mo-S-Se-Sm +mp-542888,La3AgSnS7,-6.0120839892,-1.7949758024,0.0,-0.018712569,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-S-Sn,24.0,AB3C7D_hP24_173_a_c_b2c_b:Ag-La-S-Sn +mp-2218803,Er2MgCr2O8,-8.2339924185,-2.8789676262,0.1393276502,0.1393276502,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Er-Mg-O,13.0,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Er-Mg-O +mp-2218540,Er2MgCr2O8,-8.2106179477,-2.8555931554,0.1627021209,0.1627021209,GGA+U,C2,A2B2CD8_mC26_5_c_c_a_4c:Cr-Er-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_c_c_a_8c:Cr-Er-Mg-O, expected Er2MgCr2O16 to be Er2MgCr2O8" +mp-2218438,Er2MgCr2O8,-8.2012703431,-2.8462455508,0.1720497255,0.1720497255,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Er-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_8c:Cr-Er-Mg-O, expected Er2MgCr2O16 to be Er2MgCr2O8" +mp-1191873,Sm3MnGaS7,-6.4341016442,-1.8256834119,0.0,-0.0018311949,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Ga-Mn-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Ga-Mn-S-Sm +mp-1079654,Sm2MnGa6,-4.6320606211,-0.5467535437000001,0.0,-0.0366963606,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Ga-Mn-Sm,9.0,A6BC2_cF36_225_e_a_c:Ga-Mn-Sm +mp-1343823,Ca2TaSbO6,-7.899916039,-2.9321049493,0.1214197255,0.1214197255,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Sb-Ta,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Ca-O-Sb-Ta, expected Ca2TaSbO16 to be Ca2TaSbO6" +mp-2226111,SmMgCoO3,-6.372820105,-1.6616117527,1.1800360745,1.1800360745,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Sm,6.0,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Sm +mp-571606,Sm4Mg3Co2,-4.3377176378,-0.1275153844,0.0,-0.0243512694,GGA,P2/m,A2B3C4_mP9_10_m_am_2n:Co-Mg-Sm,9.0,"Invalid WP multiplicities - A2B3C4_mP9_10_m_a2m_4n:Co-Mg-Sm, expected Sm8Mg5Co2 to be Sm4Mg3Co2" +mp-1028160,Mg14MnFe,-2.3831405131,0.119106812,0.1317931853,0.1317931853,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Mn, expected Mg18MnFe to be Mg14MnFe" +mp-1028142,Mg14MnFe,-2.372441865,0.1298054601,0.1424918334,0.1424918334,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Mn, expected Mg26MnFe to be Mg14MnFe" +mp-1023148,Mg6MnFe,-3.1943972338,0.2098173665,0.2206914007,0.2206914007,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Mn, expected Mg12MnFe to be Mg6MnFe" +mp-1023157,Mg6MnFe,-3.1755534187,0.2286611815,0.2395352157,0.2395352157,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Mn, expected Mg12MnFe to be Mg6MnFe" +mp-1247186,Mg2Mn3FeS8,-6.1497053643,-0.9891177842,0.0942942393,0.0942942393,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Fe-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Fe-Mg-Mn-S, expected Mg2Mn3FeS16 to be Mg2Mn3FeS8" +mp-1222234,Mn4FeS5,-7.238815496,-0.6587823247,0.1346415405,0.1346415405,GGA,C2/m,AB4C5_mC20_12_a_2i_c2i:Fe-Mn-S,10.0,"Invalid WP multiplicities - AB4C5_mC20_12_a_3i_c3i:Fe-Mn-S, expected Mn6FeS7 to be Mn4FeS5" +mp-1221805,Mn4FeS5,-7.237974146,-0.6579409747,0.1354828905,0.1354828905,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Fe-Mn-S,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:Fe-Mn-S, expected Mn6FeS9 to be Mn4FeS5" +mp-1246384,Mg2MnFe3S8,-5.9587826621,-0.8970513795,0.1711458418,0.1711458418,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Fe-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Fe-Mg-Mn-S, expected Mg2MnFe3S22 to be Mg2MnFe3S8" +mp-1247551,MgMnFeS4,-6.0644208764,-0.9532614451,0.1238097014,0.1238097014,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Fe-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Fe-Mg-Mn-S, expected MgMnFeS12 to be MgMnFeS4" +mp-1370909,Ca2SbMoO6,-7.4310326565,-2.5644343188,0.0206740674,0.0206740674,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Mo-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_2e_a_4e6f_c:Ca-Mo-O-Sb, expected Ca2SbMoO16 to be Ca2SbMoO6" +mp-1227983,BaGa2GeS6,-4.967843156,-1.2261537519,0.0,-0.0034118958,GGA,P1,AB2CD6_aP10_1_a_2a_a_6a:Ba-Ga-Ge-S,10.0,AB2CD6_aP10_1_a_2a_a_6a:Ba-Ga-Ge-S +mp-1104994,Pr(MnAl2)4,-5.8087476492,-0.3169342982,0.0072797435,0.0072797435,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Pr,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Pr +mp-867323,Pr3MnAlS7,-6.6029464729,-1.9191583517,0.0,-0.0127411418,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Mn-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Mn-Pr-S +mp-542117,Cd3Se3O10,-5.3016399594,-1.3814342828,0.0,-0.0017959261,GGA,P2_1,A3B10C3_mP32_4_3a_10a_3a:Cd-O-Se,32.0,A3B10C3_mP32_4_3a_10a_3a:Cd-O-Se +mp-1182810,CdSe2O9,-4.7223592983,-0.352783372,0.6041488803,0.6041488803,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Cd-O-Se,48.0,AB9C2_mP48_14_e_9e_2e:Cd-O-Se +mp-1201724,CdSe2O9,-5.0759659154,-0.706389989,0.2505422632,0.2505422632,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Cd-O-Se,48.0,AB9C2_mP48_14_e_9e_2e:Cd-O-Se +mp-1203548,Cd3(SeO3)4,-5.2385715634,-1.2326463147,0.1176220342,0.1176220342,GGA,P2_1/c,A3B12C4_mP38_14_ae_6e_2e:Cd-O-Se,38.0,A3B12C4_mP38_14_ae_6e_2e:Cd-O-Se +mp-756703,CdSeO4,-5.2905405658,-1.2562812187,0.0608499508,-0.028339634,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cd-O-Se,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Cd-O-Se, expected CdSeO15 to be CdSeO4" +mp-772052,CdSeO4,-5.33075459,-1.2964952429,0.0206359267,-0.0685536582,GGA,Pmn2_1,AB4C_oP12_31_a_2ab_a:Cd-O-Se,12.0,"Invalid WP multiplicities - AB4C_oP12_31_a_4a2b_a:Cd-O-Se, expected CdSeO8 to be CdSeO4" +mp-779156,CdSeO4,-5.3500653433,-1.3158059962,0.0013251733,-0.0878644115,GGA,Pnma,AB4C_oP24_62_a_2cd_c:Cd-O-Se,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_5c4d_c:Cd-O-Se, expected CdSeO13 to be CdSeO4" +mp-761036,CdSeO4,-5.3513905167,-1.3171311696,0.0,-0.0891895849,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Cd-O-Se,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_f2g_c:Cd-O-Se, expected CdSeO6 to be CdSeO4" +mp-1182250,Cd4Se4O15,-4.8826719039,-0.8880833987000001,0.4514140711,0.4514140711,GGA,P2_1,A4B15C4_mP46_4_4a_15a_4a:Cd-O-Se,46.0,A4B15C4_mP46_4_4a_15a_4a:Cd-O-Se +mp-1103370,Ce2Cd(SeO)2,-6.844988955,-2.6058077482,0.0365354064,0.0365354064,GGA,P4_2/nmc,AB2C2D2_tP14_137_a_d_c_d:Cd-Ce-O-Se,14.0,AB2C2D2_tP14_137_a_d_c_d:Cd-Ce-O-Se +mp-9178,CdSe2O5,-5.4125483913,-1.3315288573,0.0,-0.0126927755,GGA,C2/c,AB5C2_mC32_15_e_e2f_f:Cd-O-Se,16.0,AB5C2_mC32_15_e_e2f_f:Cd-O-Se +mp-559203,CdSeO3,-5.2689161433,-1.417142669,0.0,-0.0567412485,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cd-O-Se,40.0,"Invalid WP multiplicities - AB3C_mP40_14_8e_19e_6e:Cd-O-Se, expected Cd8Se6O19 to be CdSeO3" +mp-9186,CdSeO3,-5.258939851,-1.4071663767,0.0099762923,-0.0467649562,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cd-O-Se,20.0,AB3C_oP20_62_a_cd_c:Cd-O-Se +mp-13339,EuCuTeF,-6.92342245,-2.0706741173,0.0094894388,0.0094894388,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-Te,8.0,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-Te +mp-1225340,Eu2CuTe4,-6.5665319386,-1.2541842467,0.0,-0.0422192643,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Cu-Eu-Te,7.0,AB2C4_tP7_115_c_g_abg:Cu-Eu-Te +mp-1110660,Rb2NdCuF6,-5.320824795,-3.0910951897,0.162257656,0.162257656,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Nd-Rb +mp-1110907,K2PrCuBr6,-3.857258949,-1.8153509191,0.1036383535,0.1036383535,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Pr,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Pr +mp-998739,MgTlF3,-5.024689226,-3.0852172062,0.0,-0.0008456785,GGA,Pm-3m,A3BC_cP5_221_c_b_a:F-Mg-Tl,5.0,A3BC_cP5_221_c_b_a:F-Mg-Tl +mp-1210925,Mg2Be3Tl2F12,-5.5671670925,-3.3523337979,0.0,-0.0139106932,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-Tl,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-Tl +mp-567543,UHg3(TeCl3)2,-3.8432279546,-1.3782043836,0.0,-0.0422195979,GGA,P2_1/c,A6B3C2D_mP24_14_3e_ae_e_d:Cl-Hg-Te-U,24.0,"Invalid WP multiplicities - A6B3C2D_mP24_14_11e_ae_e_d:Cl-Hg-Te-U, expected UHg3(TeCl11)2 to be UHg3(TeCl3)2" +mp-1111034,Rb2CuAuF6,-4.20761242,-2.127309358,0.0670634197,0.0670634197,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Rb +mp-1111223,K2NaSmCl6,-4.343606053,-2.4082931248,0.0519813367,0.0519813367,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Sm +mp-1111265,Na2TlCuF6,-4.281378649,-2.2238012281,0.1632550382,0.1632550382,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Tl +mp-1189615,CsZrUTe5,-5.67081751,-1.1144372002,0.0,-0.0544063641,GGA,Pmma,AB5CD_oP16_51_f_ehk_e_a:Cs-Te-U-Zr,16.0,AB5CD_oP16_51_f_ehk_e_a:Cs-Te-U-Zr +mp-1208447,Sr4Al6SeO12,-7.3759501252,-3.3721412206,0.0,-0.0131740662,GGA,I-43m,A6B12CD4_cI46_217_d_g_a_c:Al-O-Se-Sr,23.0,A6B12CD4_cI46_217_d_g_a_c:Al-O-Se-Sr +mp-1221311,Na4Eu2P4Pb,-5.1751265827,-0.5233118672,0.0890910095,0.0890910095,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Eu-Na-P-Pb,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Eu-Na-P-Pb, expected Na7Eu4P7Pb to be Na4Eu2P4Pb" +mp-560665,LaPb6BrO7,-6.1105079973,-1.8843920751,0.0,-0.0076755298,GGA,Cmcm,ABC7D6_oC60_63_a_b_cgh_f2g:Br-La-O-Pb,30.0,"Invalid WP multiplicities - ABC7D6_oC60_63_a_b_2c3g5h_3f5g:Br-La-O-Pb, expected LaPb16BrO28 to be LaPb6BrO7" +mp-1208927,Sr2ErTaO6,-8.5708264965,-3.6223649351,0.0,-0.0370851198,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Er-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Er-O-Sr-Ta +mp-1206075,Ba2PaInO6,-7.845556122,-3.2671130683,0.0,-0.2519180345,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Pa +mp-1219969,PaInO4,-8.4840207433,-3.1418368708,0.0006356158,-0.2712724017,GGA,P4/mmm,AB4C_tP6_123_a_i_d:In-O-Pa,6.0,AB4C_tP6_123_a_i_d:In-O-Pa +mp-1173345,PaInO4,-8.4846563592,-3.1424724867,0.0,-0.2719080175,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:In-O-Pa,12.0,AB4C_tI24_141_a_f_b:In-O-Pa +mp-863033,Rb4P2PbSe8,-4.0747171857,-0.9794718394,0.0,-0.0558777582,GGA,Ibam,A2BC4D8_oI60_72_j_a_fj_2jk:P-Pb-Rb-Se,30.0,A2BC4D8_oI60_72_j_a_fj_2jk:P-Pb-Rb-Se +mp-1234054,Er4MgZr4O14,-8.4033247757,-3.0417769597,0.754153611,0.754153611,GGA,P2/m,A4BC14D4_mP23_10_adn_b_3m4n_cgn:Er-Mg-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_mP23_10_ag2n_b_6m7n_cdn:Er-Mg-O-Zr, expected Er6MgZr4O26 to be Er4MgZr4O14" +mp-1234243,Er4MgZr4O14,-8.9367574048,-3.5752095888,0.2207209818,0.2207209818,GGA,Pmm2,A4BC14D4_oP23_25_acf_a_3b3d4e_acf:Er-Mg-O-Zr,23.0,"Invalid WP multiplicities - A4BC14D4_oP23_25_ac2f_a_3b3d6e_acf:Er-Mg-O-Zr, expected Er6MgZr4O18 to be Er4MgZr4O14" +mp-555736,BaHg2(ClO)2,-3.9640420025,-1.6616439436,0.0,-0.0245762861,GGA,P4/mbm,AB2C2D2_tP28_127_g_acg_j_j:Ba-Cl-Hg-O,28.0,"Invalid WP multiplicities - AB2C2D2_tP28_127_g_a2c2g_j_j:Ba-Cl-Hg-O, expected Ba2Hg4Cl7O4 to be BaHg2(ClO)2" +mp-1217550,TbNdCo14B,-6.9463542463,-0.1464510444,0.0,-0.0028639097,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Tb,68.0,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Tb +mp-1217492,TbNdCo4,-6.4089604033,-0.1029962846,0.025881788,0.025881788,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Nd-Tb,6.0,A4BC_cF24_216_e_a_c:Co-Nd-Tb +mp-18327,Ba2Tl2O5,-5.6670486981,-1.967417617,0.0,-0.0410519578,GGA,Pnma,A2B5C2_oP36_62_d_c2d_ac:Ba-O-Tl,36.0,A2B5C2_oP36_62_d_c2d_ac:Ba-O-Tl +mp-1183393,BaTlO3,-5.525285378,-1.7009485339,0.1192370463,0.1192370463,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Tl,5.0,AB3C_cP5_221_a_c_b:Ba-O-Tl +mp-1045996,Ba2TlSb2O7,-6.055745995,-1.9652946212,0.3277567756,0.3277567756,GGA,P4/mmm,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Sb-Tl,12.0,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Sb-Tl +mp-1046128,Ba2Tl2Sb3O10,-5.9482027253,-1.8060187838,0.3350486513,0.3350486513,GGA,P1,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Sb-Tl,17.0,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Sb-Tl +mp-1048032,BaTl(SbO3)2,-5.9553341535,-1.7333588701,0.4065958922,0.4065958922,GGA,I4/mmm,AB6C2D_tI40_139_e_2e2g_2e_e:Ba-O-Sb-Tl,20.0,"Invalid WP multiplicities - AB6C2D_tI40_139_e_4e6g_3e_e:Ba-O-Sb-Tl, expected BaTlSb3O16 to be BaTl(SbO3)2" +mp-1228332,Ba2TlSbO6,-6.284026291,-2.2830536376,0.0,-0.0169326814,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Tl +mp-771826,BaTl2O4,-5.3957363767,-1.6198769369,0.0499420951,0.039438771,GGA,C2/c,AB4C2_mC84_15_ef_ae5f_3f:Ba-O-Tl,42.0,"Invalid WP multiplicities - AB4C2_mC84_15_e2f_c2e10f_5f:Ba-O-Tl, expected Ba5Tl10O23 to be BaTl2O4" +mp-754897,BaTl2O4,-5.4456784718,-1.669819032,0.0,-0.0105033241,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-O-Tl,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ba-O-Tl, expected BaTl5O13 to be BaTl2O4" +mp-755315,BaTl2O4,-5.4222807871,-1.6464213474,0.0233976846,0.0128943605,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ba-O-Tl,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_a2c2f_f:Ba-O-Tl, expected BaTl2O7 to be BaTl2O4" +mp-1216633,URu2Rh,-9.754283515,-0.453152775,0.0,-0.0108812283,GGA,P4/mmm,AB2C_tP4_123_a_e_c:Rh-Ru-U,4.0,AB2C_tP4_123_a_e_c:Rh-Ru-U +mp-1216552,USi2RuRh,-8.479245356,-0.72309406,0.0,-0.008773505,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Rh-Ru-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Rh-Ru-Si-U +mp-1216831,U2Si5Ru2Rh,-8.158767508,-0.596515196,0.0122725731,0.0122725731,GGA,C2/c,AB2C5D2_mC40_15_e_f_3ef_f:Rh-Ru-Si-U,20.0,AB2C5D2_mC40_15_e_f_3ef_f:Rh-Ru-Si-U +mp-5556,U(SiRh)2,-8.182471746,-0.808339384,0.0,-0.082407483,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-U,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-U +mp-1216620,U2Si3Rh,-8.1710776733,-0.4672306767,0.0377925777,0.0377925777,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Rh-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Rh-Si-U +mp-20184,USiRh,-8.7166431875,-0.6896312175,0.0,-0.0160150642,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Si-U,12.0,ABC_oP12_62_c_c_c:Rh-Si-U +mp-1189009,U2Si5Rh3,-7.837084786,-0.6568514080000001,0.0215363645,0.0215363645,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Rh-Si-U,20.0,A3B5C2_mC40_15_ef_3ef_f:Rh-Si-U +mp-1187808,U2Si5Rh3,-7.845086312,-0.664852934,0.0135348385,0.0135348385,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Rh-Si-U,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_aj_b2fj_j:Rh-Si-U, expected U2Si7Rh3 to be U2Si5Rh3" +mp-1191092,Ba2NaCu3S5,-4.6883854986,-1.2210814516,0.0306870625,0.0306870625,GGA,C2/m,A2B3CD5_mC44_12_2i_gj_i_3ij:Ba-Cu-Na-S,22.0,A2B3CD5_mC44_12_2i_gj_i_3ij:Ba-Cu-Na-S +mp-622624,Rb2Cr2As2O9,-7.1085574072,-2.1015175207,0.0,-0.1121130304,GGA+U,Pnma,A2B2C9D2_oP60_62_2c_ac_5c2d_2c:As-Cr-O-Rb,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_6c_3a2c_20c12d_3c:As-Cr-O-Rb, expected Rb3Cr5(As3O22)2 to be Rb2Cr2As2O9" +mp-14280,Ga2Sn2S5,-4.7252767858,-0.863322887,0.0,-0.0213085381,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Ga-S-Sn,36.0,A2B5C2_oP36_33_2a_5a_2a:Ga-S-Sn +mp-5045,SnGeS3,-4.8938272365,-0.6854373744000001,0.0,-0.0113672731,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ge-S-Sn,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_5e_e:Ge-S-Sn, expected SnGeS5 to be SnGeS3" +mp-1194838,Ga2SnGeS6,-4.7370951948,-0.7863460991,0.0424172036,0.0424172036,GGA,Fdd2,A2BC6D_oF160_43_2b_2a_6b_b:Ga-Ge-S-Sn,40.0,A2BC6D_oF160_43_2b_2a_6b_b:Ga-Ge-S-Sn +mp-1034094,RbMg14GaO16,-6.04879934,-2.750062772,0.1786748906,0.1786748906,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ga-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ga-Mg-O-Rb, expected RbMg18GaO20 to be RbMg14GaO16" +mp-1034082,RbMg14GaO16,-6.0262356803,-2.7274991123,0.2012385503,0.2012385503,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ga-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ga-Mg-O-Rb, expected RbMg30GaO32 to be RbMg14GaO16" +mp-1039607,RbMg30GaO32,-6.1966100575,-2.9104995832,0.0808893978,0.0808893978,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ga-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ga-Mg-O-Rb, expected RbMg110GaO72 to be RbMg30GaO32" +mp-1039624,RbMg30GaO32,-6.2062358727,-2.9201253984,0.0712635827,0.0712635827,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ga-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ga-Mg-O-Rb, expected RbMg90GaO80 to be RbMg30GaO32" +mp-1026679,RbMg14Ga,-1.5402249706,0.1105594541,0.1579010765,0.1579010765,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Rb, expected RbMg18Ga to be RbMg14Ga" +mp-1026622,RbMg14Ga,-1.5239561531,0.1268282716,0.174169894,0.174169894,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Rb, expected RbMg26Ga to be RbMg14Ga" +mp-1033550,RbMg6GaO8,-5.6642723444000005,-2.3402835891,0.4631514369,0.4631514369,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ga-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ga-Mg-O-Rb, expected RbMg6GaO12 to be RbMg6GaO8" +mp-1033551,RbMg6GaO8,-5.7313305725,-2.4073418172,0.3960932088,0.3960932088,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ga-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ga-Mg-O-Rb, expected RbMg6GaO12 to be RbMg6GaO8" +mp-1017081,RbMg6Ga,-1.5040550844,0.197233715,0.2652363578,0.2652363578,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Rb, expected RbMg12Ga to be RbMg6Ga" +mp-1100154,RbMg6Ga,-1.502200485,0.1990883144,0.2670909572,0.2670909572,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:Ga-Mg-Rb +mp-540633,RbNb(GeO3)3,-7.3583650711,-2.3961421369,0.0,-0.0225496062,GGA,P-6c2,A3BC9D_hP28_188_k_a_kl_c:Ge-Nb-O-Rb,28.0,A3BC9D_hP28_188_k_a_kl_c:Ge-Nb-O-Rb +mp-771194,Nb2Ge2O7,-8.2549312302,-2.4298869785,0.072522648,0.072522648,GGA,P2_1,A2B2C7_mP44_4_4a_4a_14a:Ge-Nb-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_4_7a_7a_27a:Ge-Nb-O, expected Nb7Ge7O27 to be Nb2Ge2O7" +mp-754857,Nb2Ge2O7,-8.2317259695,-2.4066817178,0.0957279086,0.0957279086,GGA,Cmc2_1,A2B2C7_oC44_36_2a_2a_7a:Ge-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_oC44_36_3a_3a_14a:Ge-Nb-O, expected Nb3Ge3O14 to be Nb2Ge2O7" +mp-1210256,RbNbGeO5,-7.6501349469,-2.5953461314,0.0,-0.0143405538,GGA,P2_12_12_1,ABC5D_oP96_19_3a_3a_15a_3a:Ge-Nb-O-Rb,96.0,ABC5D_oP96_19_3a_3a_15a_3a:Ge-Nb-O-Rb +mp-1227131,CaTb3Mn4O12,-8.505140719,-2.9092895248,0.0046763872,0.0046763872,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Mn-O-Tb,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:Ca-Mn-O-Tb, expected CaTb3Mn8O20 to be CaTb3Mn4O12" +mp-752729,CaTb2O4,-8.1500760029,-3.7127778707,0.0779404684,0.0779404684,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-O-Tb,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Ca-O-Tb, expected CaTb5O13 to be CaTb2O4" +mp-753912,CaTb2O4,-8.1429825629,-3.7056844307,0.0850339084,0.0850339084,GGA,Cmcm,AB4C2_oC28_63_c_acf_f:Ca-O-Tb,14.0,"Invalid WP multiplicities - AB4C2_oC28_63_c_ac2f_f:Ca-O-Tb, expected CaTb2O6 to be CaTb2O4" +mp-755044,CaTb2O4,-8.1797967343,-3.7424986021,0.048219737,0.048219737,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-O-Tb,14.0,AB4C2_cF56_227_a_e_d:Ca-O-Tb +mp-1227626,Ca2TbMn3O9,-8.0741895548,-2.6974022123,0.0084088914,0.0084088914,GGA+U,Pnma,A2B3C9D_oP60_62_2c_ad_3c3d_c:Ca-Mn-O-Tb,60.0,"Invalid WP multiplicities - A2B3C9D_oP60_62_6c_4a5d_11c21d_c:Ca-Mn-O-Tb, expected Ca6TbMn14O53 to be Ca2TbMn3O9" +mp-1227679,Ca3TbMn4O12,-7.985174605,-2.6522000328,0.011227391,0.011227391,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:Ca-Mn-O-Tb,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_4c_2a2b8c_a:Ca-Mn-O-Tb, expected Ca3TbMn8O20 to be Ca3TbMn4O12" +mp-1227302,CaTb2Mn3O9,-8.4212801677,-2.8692417438,0.0032365814,0.0032365814,GGA+U,Pnma,AB3C9D2_oP60_62_c_ad_3c3d_2c:Ca-Mn-O-Tb,60.0,"Invalid WP multiplicities - AB3C9D2_oP60_62_c_4a5d_11c21d_7c:Ca-Mn-O-Tb, expected CaTb7Mn14O53 to be CaTb2Mn3O9" +mp-1227156,CaTbMn2O6,-8.2485010185,-2.7840881353,0.0054150164,0.0054150164,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Mn-O-Tb,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_3a6b_a:Ca-Mn-O-Tb, expected CaTbMn2O15 to be CaTbMn2O6" +mp-864985,MnZnIr2,-7.2333466075,-0.208689792,0.0,-0.0248286942,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Mn-Zn,4.0,A2BC_cF16_225_c_a_b:Ir-Mn-Zn +mp-1047090,MnZn2IrO6,-6.5719525895,-1.5519456935,0.094987386,0.094987386,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ir-Mn-O-Zn,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_10e_e:Ir-Mn-O-Zn, expected MnZn2IrO20 to be MnZn2IrO6" +mp-1226935,CeAg(PSe3)2,-4.8523682975,-0.7955963937,0.0148238728,0.0148238728,GGA,Pc,ABC2D6_mP20_7_a_a_2a_6a:Ag-Ce-P-Se,20.0,"Invalid WP multiplicities - ABC2D6_mP20_7_a_a_3a_9a:Ag-Ce-P-Se, expected CeAg(PSe3)3 to be CeAg(PSe3)2" +mp-1217370,Ti(NbNi4)3,-7.046060805,-0.323495349,0.0166674908,0.0166674908,GGA,Pmm2,A3B12C_oP16_25_be_ac2e3f_d:Nb-Ni-Ti,16.0,"Invalid WP multiplicities - A3B12C_oP16_25_be_ac3e5f_d:Nb-Ni-Ti, expected Ti(NbNi6)3 to be Ti(NbNi4)3" +mp-1194349,Nb3Ni3C,-8.4180387379,-0.2933257875,0.07361272,0.07361272,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:C-Nb-Ni,28.0,AB3C3_cF112_227_c_f_de:C-Nb-Ni +mp-864841,Nb4Ni2C,-9.0825009611,-0.340478245,0.0,-0.016346154,GGA,Fd-3m,AB4C2_cF112_227_c_df_e:C-Nb-Ni,28.0,AB4C2_cF112_227_c_df_e:C-Nb-Ni +mp-1217366,Ti2Nb2Ni2C,-8.5466495586,-0.4348591349,0.0047009,0.0047009,GGA,I-4m2,AB2C2D2_tI56_119_i_efg_2i_hi:C-Nb-Ni-Ti,28.0,AB2C2D2_tI56_119_i_efg_2i_hi:C-Nb-Ni-Ti +mp-1217776,Ti2NbNi9,-6.8729385223,-0.3801452562,0.0392577519,0.0392577519,GGA,Amm2,AB9C2_oC96_38_a3b_3a3b3c3d3e3f_2a3c:Nb-Ni-Ti,48.0,"Invalid WP multiplicities - AB9C2_oC96_38_a3b_3a3b6c6d6e12f_2a6c:Nb-Ni-Ti, expected Ti7Nb2Ni45 to be Ti2NbNi9" +mp-1217555,Ti2NbNi9,-6.8833713721,-0.390578106,0.0288249021,0.0288249021,GGA,P-6m2,AB9C2_hP48_187_adg_jk5n_h3i:Nb-Ni-Ti,48.0,"Invalid WP multiplicities - AB9C2_hP48_187_ad2g_3j3k25n_h6i:Nb-Ni-Ti, expected Ti7(NbNi28)3 to be Ti2NbNi9" +mp-1216870,TmTaTiO6,-9.6560002314,-3.6660849717,0.0028177153,0.0028177153,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:O-Ta-Ti-Tm,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_24e_e_e_e:O-Ta-Ti-Tm, expected TmTaTiO24 to be TmTaTiO6" +mp-1225495,ErMnFeO4,-8.50462093,-2.5065480504,0.1439452521,0.1439452521,GGA+U,R3m,ABCD4_hR21_160_a_a_a_4a:Er-Fe-Mn-O,7.0,ABCD4_hR21_160_a_a_a_4a:Er-Fe-Mn-O +mp-1213032,ErMnFeO5,-8.397782490600001,-2.5311326321000003,0.0076883781,0.0076883781,GGA+U,Pbam,ABCD5_oP32_55_g_h_e_fghi:Er-Fe-Mn-O,32.0,ABCD5_oP32_55_g_h_e_fghi:Er-Fe-Mn-O +mp-1178175,Ho2Pb2O7,-7.2060190655,-2.5499342601,0.0,-0.0067409274,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Ho-O-Pb, expected HoPbO10 to be Ho2Pb2O7" +mp-8888,HoAl3(PbO4)2,-7.4751368175,-2.9881410896,0.0226571037,0.0226571037,GGA,Pn-3m,A3BC8D2_cP56_224_f_b_ek_e:Al-Ho-O-Pb,56.0,A3BC8D2_cP56_224_f_b_ek_e:Al-Ho-O-Pb +mp-971914,SrSiPt,-5.3631041742,-0.9677892397,0.0,-0.2135963654,GGA,P2_13,ABC_cP12_198_a_a_a:Pt-Si-Sr,12.0,ABC_cP12_198_a_a_a:Pt-Si-Sr +mp-561245,Sr8Si2PtO14,-7.0589331656,-3.071278807,0.0011681404,0.0011681404,GGA,C2,A14BC2D8_mC50_5_7c_a_c_4c:O-Pt-Si-Sr,25.0,"Invalid WP multiplicities - A14BC2D8_mC50_5_13c_a_c_8c:O-Pt-Si-Sr, expected Sr16Si2PtO26 to be Sr8Si2PtO14" +mp-1206424,Sr(SiPt)2,-5.757401292,-0.8209220613,0.021026298,0.0111448135,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Pt-Si-Sr,5.0,A2B2C_tI10_139_d_e_a:Pt-Si-Sr +mp-1218889,Sr(SiPt)2,-5.77842759,-0.8419483593,0.0,-0.0098814845,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Pt-Si-Sr,5.0,A2B2C_tI10_139_e_d_a:Pt-Si-Sr +mp-989555,Tl2InGaF6,-4.582523317,-2.3851293319,0.0,-0.0084233717,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Tl +mp-1110652,Rb2LiPrF6,-5.527782317,-3.5158052598,0.062687525,0.062687525,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Pr-Rb +mp-560518,RbLi2Be2F7,-5.5326215831,-3.3944917241,0.0,-0.0212965335,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Be-F-Li-Rb,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_6e_27e_6e_e:Be-F-Li-Rb, expected RbLi6Be6F27 to be RbLi2Be2F7" +mp-1209683,Rb2Ca2Be3F12,-5.8091649784,-3.6971516042,0.0,-0.0216481928,GGA,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Ca-F-Rb,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Ca-F-Rb +mp-1111139,K2NaLaCl6,-4.384893743,-2.4278387178,0.0745689153,0.0745689153,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-La-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-La-Na +mp-1110585,Rb2PdAuF6,-4.218414631,-2.030044055,0.132645081,0.132645081,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Pd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Pd-Rb +mp-1189014,SrBr2O,-3.8589899762,-1.4234302701,0.6155804792,0.6155804792,GGA,Pnma,A2BC_oP16_62_2c_c_c:Br-O-Sr,16.0,A2BC_oP16_62_2c_c_c:Br-O-Sr +mp-1208774,Sr5Re3BrO15,-7.8258707852,-2.7619371260000003,0.0,-0.0959912174,GGA,Pnma,AB15C3D5_oP96_62_c_c7d_cd_c2d:Br-O-Re-Sr,96.0,AB15C3D5_oP96_62_c_c7d_cd_c2d:Br-O-Re-Sr +mp-725014,Sr(BrO3)2,-4.6716247889,-0.8409934132,0.3279282894,0.091020965,GGA,C2,A2B6C_mC18_5_c_ab2c_a:Br-O-Sr,9.0,A2B6C_mC18_5_c_ab2c_a:Br-O-Sr +mp-504910,Sr(BrO3)2,-4.9995530783,-1.1689217027,0.0,-0.2369073244,GGA,Cc,A2B6C_mC36_9_2a_6a_a:Br-O-Sr,18.0,A2B6C_mC36_9_2a_6a_a:Br-O-Sr +mp-731710,SrBr2O7,-4.7927989975,-0.8505618883,0.2014676441,0.2014676441,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Br-O-Sr,20.0,A2B7C_mC40_15_f_e3f_e:Br-O-Sr +mp-1179218,SrBrO5,-4.9006102379000005,-0.9040437608,0.3201856641,0.3201856641,GGA,P-1,AB5C_aP14_2_i_5i_i:Br-O-Sr,14.0,AB5C_aP14_2_i_5i_i:Br-O-Sr +mp-1179222,SrBrO5,-4.8955148264,-0.8989483493,0.3252810755,0.3252810755,GGA,P-1,AB5C_aP14_2_i_5i_i:Br-O-Sr,14.0,AB5C_aP14_2_i_5i_i:Br-O-Sr +mp-768810,Sr4Br6O,-4.5231797186,-2.6120131273,0.0848700809,0.0429897436,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:Br-O-Sr,22.0,"Invalid WP multiplicities - A6BC4_tP22_137_2d3f_a_g:Br-O-Sr, expected Sr4Br16O to be Sr4Br6O" +mp-556049,Sr4Br6O,-4.6080497995,-2.6968832082,0.0,-0.0418803373,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:Br-O-Sr,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_6c_b_2b3c:Br-O-Sr, expected Sr11Br18O to be Sr4Br6O" +mp-1112628,Cs2YInCl6,-4.484405126,-2.2743871713,0.0092582846,0.0092582846,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-In-Y +mp-1114124,KRb2AsBr6,-3.28943967,-1.5845641223,0.0281826405,0.0281826405,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-Br-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-Br-K-Rb +mp-1111609,K2RbAsBr6,-3.242957505,-1.5250954698,0.0876695395,0.0876695395,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Rb +mp-1207583,ZrPd3F6,-5.599017036,-2.0433950495,0.3784430086,0.3784430086,GGA,P-1,A6B3C_aP10_2_3i_bce_a:F-Pd-Zr,10.0,A6B3C_aP10_2_3i_bce_a:F-Pd-Zr +mp-9056,ZrPdF6,-6.1690262213,-3.0194691906,0.007828382,0.007828382,GGA,R-3,A6BC_hR24_148_f_a_b:F-Pd-Zr,8.0,A6BC_hR24_148_f_a_b:F-Pd-Zr +mp-16291,NaZr2PdF11,-6.362708324,-3.3877698569,0.0,-0.0164403187,GGA,C2/m,A11BCD2_mC30_12_bh2ij_c_a_i:F-Na-Pd-Zr,15.0,A11BCD2_mC30_12_ah2ij_c_b_i:F-Na-Pd-Zr +mp-1210580,NaLu(ReO5)4,-7.6676839948,-1.7232471187,0.250229009,0.250229009,GGA,P-4n2,ABC20D4_tP52_118_c_a_5i_i:Lu-Na-O-Re,52.0,ABC20D4_tP52_118_c_a_5i_i:Lu-Na-O-Re +mp-1185529,LuReO3,-8.304095138,-1.9429863702,0.9857636348,0.9857636348,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Lu-O-Re,5.0,AB3C_cP5_221_a_c_b:Lu-O-Re +mp-1210574,Lu5(ReO6)2,-9.0277611426,-3.4038626424,0.0,-0.0155173062,GGA,C2/m,A5B12C2_mC38_12_a2i_2i2j_h:Lu-O-Re,19.0,A5B12C2_mC38_12_a2i_2i2j_h:Lu-O-Re +mp-1112081,K2TlAgCl6,-3.364614583,-1.5138928826,0.013921837,0.013921837,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tl +mp-1216513,V9Ga4Fe3,-7.6793000987,-0.2244499519,0.0,-0.0037283758,GGA,Pm,A3B4C9_mP16_6_2ab_2a2b_2a3b2c:Fe-Ga-V,16.0,"Invalid WP multiplicities - A3B4C9_mP16_6_2ab_2a2b_2a3b4c:Fe-Ga-V, expected V13Ga4Fe3 to be V9Ga4Fe3" +mp-1216782,V2GaFe,-7.50257776,-0.0860954169,0.15314876,0.15314876,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Fe-Ga-V,4.0,ABC2_oC8_35_a_b_ab:Fe-Ga-V +mp-1066581,VGaFeCo,-7.199946615,-0.2773613406,0.0292713762,0.0292713762,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-V,4.0,ABCD_cF16_216_a_b_c_d:Co-Fe-Ga-V +mp-1216459,VGa2FeCo4,-6.77354899,-0.2681251769,0.00982539,0.00982539,GGA,R-3m,A4BC2D_hR24_166_2c_a_c_b:Co-Fe-Ga-V,8.0,"Invalid WP multiplicities - A4BC2D_hR24_166_3c_a_c_b:Co-Fe-Ga-V, expected VGa2FeCo6 to be VGa2FeCo4" +mp-21883,VGaFe2,-7.561432205,-0.2984210769,0.0,-0.1209419821,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Ga-V,4.0,A2BC_cF16_225_c_a_b:Fe-Ga-V +mp-1026688,NaSrMg14,-1.5247731612000002,0.0637230542,0.1001779467,0.1001779467,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Sr, expected NaSrMg18 to be NaSrMg14" +mp-1026674,NaSrMg14,-1.5271480838,0.0613481317,0.0978030242,0.0978030242,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Sr, expected NaSrMg26 to be NaSrMg14" +mp-1220897,NaSrMg2F7,-5.56190751,-3.7807319082,0.0088594357,0.0088594357,GGA,Imma,A7B2CD_oI44_74_3ej_ac_b_d:F-Mg-Na-Sr,22.0,"Invalid WP multiplicities - A7B2CD_oI44_74_5e2j_ac_b_d:F-Mg-Na-Sr, expected NaSrMg2F13 to be NaSrMg2F7" +mp-1096360,NaSr2Mg,-0.442650015,1.1327980475,1.1674527521,1.1674527521,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Na-Sr,4.0,ABC2_oI8_71_a_b_e:Mg-Na-Sr +mp-1017357,NaSrMg6,-1.4839871875,0.0927251933,0.1417008192,0.1417008192,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Sr, expected NaSrMg12 to be NaSrMg6" +mp-1017360,NaSrMg6,-1.4842067544,0.0925056265,0.1414812523,0.1414812523,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Sr, expected NaSrMg12 to be NaSrMg6" +mp-27407,Ca12Be17O29,-7.1656899679,-3.1813591077,0.0062005341,0.0062005341,GGA,F-43m,A17B12C29_cF232_216_a4e_fg_ce2h:Be-Ca-O,58.0,"Invalid WP multiplicities - A17B12C29_cF232_216_a5e_fg_c2e4h:Be-Ca-O, expected Ca4Be7O19 to be Ca12Be17O29" +mp-755389,CaEuO2,-8.7293814975,-3.1903867219,0.0327479225,0.0327479225,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Eu-O,4.0,ABC2_hR12_166_a_b_c:Ca-Eu-O +mp-1178520,CaEu4O5,-9.930193803,-3.1534887394,0.019533368,0.019533368,GGA,I4/m,AB4C5_tI20_87_a_h_bh:Ca-Eu-O,10.0,AB4C5_tI20_87_a_h_bh:Ca-Eu-O +mp-756244,CaEu2O3,-9.392214,-3.1656023977,0.0296919483,0.0296919483,GGA,C2/c,AB2C3_mC24_15_e_2e_cf:Ca-Eu-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_4e_2a3f:Ca-Eu-O, expected CaEu4O8 to be CaEu2O3" +mp-756336,CaEu2O3,-9.3231250192,-3.0965134169,0.0987809292,0.0987809292,GGA,Cmcm,AB2C3_oC24_63_c_g_ae:Ca-Eu-O,12.0,"Invalid WP multiplicities - AB2C3_oC24_63_c_g_a2e:Ca-Eu-O, expected CaEu2O5 to be CaEu2O3" +mp-754739,CaBe3O4,-7.2180877975,-3.0917636325,0.0625192144,0.0625192144,GGA,P-62c,A3BC4_hP16_190_af_c_dg:Be-Ca-O,16.0,"Invalid WP multiplicities - A3BC4_hP16_190_a2f_c_2d3g:Be-Ca-O, expected CaBe5O11 to be CaBe3O4" +mp-1227637,CaEu2BeO5,-8.8015343875,-3.1357055096,0.0583108618,0.0583108618,GGA,Pna2_1,ABC2D5_oP36_33_a_a_2a_5a:Be-Ca-Eu-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_33_a_a_2a_10a:Be-Ca-Eu-O, expected CaEu2BeO10 to be CaEu2BeO5" +mp-1214133,Ca2EuBeO5,-7.7516032231,-3.0025967807,0.0419575774,0.0419575774,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:Be-Ca-Eu-O,36.0,AB2CD5_oP36_62_c_d_c_3cd:Be-Ca-Eu-O +mp-984632,CaBeO3,-6.349246122,-2.2322303463,0.333611443,0.333611443,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Ca-O,5.0,ABC3_cP5_221_b_a_c:Be-Ca-O +mp-1181527,Eu2HoTaO6,-10.2534316285,-3.5899993917,0.0,-0.0400302821,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Ho-O-Ta,20.0,A2BC6D_mP20_14_e_a_3e_b:Eu-Ho-O-Ta +mp-1205701,Eu2HoTaO6,-10.160034461,-3.4966022242,0.0933971675,0.0533668854,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Ho-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Ho-O-Ta +mp-1213002,EuHo2O4,-9.3518022964,-3.7505773843,0.0281915862,0.0281915862,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Eu-Ho-O,28.0,AB2C4_oP28_62_c_2c_4c:Eu-Ho-O +mp-1218806,Sr2GdGaO5,-8.1132379589,-3.0891658783,0.0584846,0.0584846,GGA,Fmmm,ABC5D2_oF72_69_g_h_cno_fi:Ga-Gd-O-Sr,18.0,"Invalid WP multiplicities - ABC5D2_oF72_69_g_h_c2n2o_fi:Ga-Gd-O-Sr, expected Sr2GdGaO9 to be Sr2GdGaO5" +mp-1202682,LiCa7(GeH)3,-3.469240722,-0.6124275986000001,0.0,-0.002529777,GGA,Pnma,A7B3C3D_oP56_62_c3d_cd_3c_c:Ca-Ge-H-Li,56.0,A7B3C3D_oP56_62_c3d_cd_3c_c:Ca-Ge-H-Li +mp-559748,NdGaGe2O7,-7.2898383839,-2.5926456435,0.0,-0.0150004284,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Ga-Ge-Nd-O,44.0,"Invalid WP multiplicities - AB2CD7_mP44_14_e_4e_e_23e:Ga-Ge-Nd-O, expected NdGaGe4O23 to be NdGaGe2O7" +mp-1227314,CaGd2(GeO3)4,-8.4886132874,-2.8038648497,0.0,-0.0108397516,GGA,Cmme,AB2C4D12_oC76_67_c_ae_o_mn2o:Ca-Gd-Ge-O,38.0,"Invalid WP multiplicities - AB2C4D12_oC76_67_c_ae_o_3m2n9o:Ca-Gd-Ge-O, expected CaGd2(Ge2O23)2 to be CaGd2(GeO3)4" +mp-16124,BaPr2MnS5,-6.6337877083,-2.0421153665,0.0,-0.0229973147,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Mn-Pr-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Mn-Pr-S +mp-1192038,La3BeInS7,-6.0719723738,-1.8841167922,0.0737353075,0.0737353075,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-In-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-In-La-S +mp-1040170,RbLiMg30O31,-6.1417238265,-2.8997363902,0.0851908162,0.0851908162,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i_b:Li-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i_b:Li-Mg-O-Rb, expected RbLiMg38O39 to be RbLiMg30O31" +mp-1040161,RbLiMg30O31,-6.1184948367,-2.8765074004,0.1084198061,0.1084198061,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i_b:Li-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i_b:Li-Mg-O-Rb, expected RbLiMg38O39 to be RbLiMg30O31" +mp-1040232,RbLiMg30O31,-6.1156448914,-2.8736574551,0.1112697513,0.1112697513,GGA,Pmm2,AB30C31D_oP63_25_a_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i_d:Li-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_a2b2cd2e2f4g4h2i_2a2bc2d2e2f4g4h2i_d:Li-Mg-O-Rb, expected RbLiMg38O39 to be RbLiMg30O31" +mp-1040122,RbLiMg30O31,-6.1144292706,-2.8724418343,0.1124853721,0.1124853721,GGA,P4mm,AB30C31D_tP63_99_a_ab2c2d2e2f_a2b2c2d2e2f_b:Li-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_tP63_99_a_ab2c2d6e6f_a2b2c2d6e6f_b:Li-Mg-O-Rb, expected RbLiMg62O63 to be RbLiMg30O31" +mp-1035407,RbLiMg14O15,-5.9058132671,-2.6963388056,0.2172458533,0.2172458533,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Li-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Li-Mg-O-Rb +mp-1035470,RbLiMg14O15,-5.9221436897,-2.7126692281,0.2009154307,0.2009154307,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Li-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Li-Mg-O-Rb +mp-1035479,RbLiMg14O15,-5.9269013842,-2.7174269226,0.1961577362,0.1961577362,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Li-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Li-Mg-O-Rb +mp-1035690,RbLiMg14O15,-5.8918824981,-2.6824080365,0.2311766223,0.2311766223,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Li-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Li-Mg-O-Rb +mp-1026860,RbLiMg14,-1.4552873519,0.1255487506,0.1563674986,0.1563674986,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Rb, expected RbLiMg18 to be RbLiMg14" +mp-1026850,RbLiMg14,-1.4432831825,0.1375529199,0.168371668,0.168371668,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Rb, expected RbLiMg26 to be RbLiMg14" +mp-1031026,RbLiMg6O7,-5.4361504427,-2.2949532281,0.4688120807,0.4688120807,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_a2b2c_a:Li-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_a2b4c_a:Li-Mg-O-Rb, expected RbLiMg10O11 to be RbLiMg6O7" +mp-1031043,RbLiMg6O7,-5.369278962,-2.2280817475,0.5356835614000001,0.5356835614000001,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_2ab2c_b:Li-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_2ab4c_b:Li-Mg-O-Rb, expected RbLiMg10O11 to be RbLiMg6O7" +mp-1031091,RbLiMg6O7,-5.4772521467,-2.3360549321,0.4277103767,0.4277103767,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_2ab2c_a:Li-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_2ab4c_a:Li-Mg-O-Rb, expected RbLiMg10O11 to be RbLiMg6O7" +mp-1031127,RbLiMg6O7,-5.480629524,-2.3394323095000003,0.4243329994,0.4243329994,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_a2b2c_b:Li-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_a2b4c_b:Li-Mg-O-Rb, expected RbLiMg10O11 to be RbLiMg6O7" +mp-1021290,RbLiMg6,-1.3459214531,0.2154707018,0.2503573495,0.2503573495,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Rb, expected RbLiMg12 to be RbLiMg6" +mp-1021315,RbLiMg6,-1.3436545331,0.2177376218,0.2526242695,0.2526242695,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Rb, expected RbLiMg12 to be RbLiMg6" +mp-1105344,DyCrTeO6,-7.77626777,-2.544793051,0.0,-0.0197046547,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Dy-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Dy-O-Te +mp-1212850,DyCrTeO6,-7.5177063456,-2.2862316266,0.2585614244,0.2388567697,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Dy-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Dy-O-Te +mp-1221909,Mn2Cr3GaS8,-6.9116202371,-0.9542725263,0.0224747298,0.0224747298,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Ga-Mn-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-Ga-Mn-S, expected Mn2Cr3GaS16 to be Mn2Cr3GaS8" +mp-1221912,Mn2CrGa3S8,-5.782922845,-0.7719967695000001,0.1877167859,0.1877167859,GGA,Cm,AB3C2D8_mC28_8_a_3a_2a_8a:Cr-Ga-Mn-S,14.0,AB3C2D8_mC28_8_a_3a_2a_8a:Cr-Ga-Mn-S +mp-1207066,La(AgGe)2,-4.442672322,-0.4732373577,0.0,-0.0562695474,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ag-Ge-La,5.0,A2B2C_tI10_139_d_e_a:Ag-Ge-La +mp-20568,LaAgGe,-4.7765998717,-0.6460695506,0.0,-0.0782172497,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-Ge-La,6.0,ABC_hP6_186_b_b_a:Ag-Ge-La +mp-617632,La3AgGeS7,-6.0788006296,-1.8105711095,0.0,-0.0377501592,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Ag-Ge-La-S,24.0,"Invalid WP multiplicities - ABC3D7_hP24_173_a_b_c_b8c:Ag-Ge-La-S, expected La3AgGeS25 to be La3AgGeS7" +mp-1191013,Gd3MnAlS7,-8.9209780683,-1.9133858258,0.0024609926,0.0024609926,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Gd-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Gd-Mn-S +mp-1205934,Ba2YbMoO6,-7.568326328,-2.9779922742,0.0,-0.0938264015,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Yb,,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Yb +mp-704669,BaYb2(MoO4)4,-7.9208097098,-2.3761222611,0.0943335871,0.0943335871,GGA+U,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Yb,,"Invalid WP multiplicities - AB4C16D2_mC92_15_e_4f_30f_f:Ba-Mo-O-Yb, expected BaYb2(Mo2O15)4 to be BaYb2(MoO4)4" +mp-18344,Ta2Tl4S11,-5.5236320324,-0.896156951,0.0,-0.0418873731,GGA,P-1,A11B2C4_aP34_2_11i_2i_4i:S-Ta-Tl,34.0,A11B2C4_aP34_2_11i_2i_4i:S-Ta-Tl +mp-1217825,TaTl3(SeS)2,-5.161677305,-0.8853735851000001,0.0002991862,0.0002991862,GGA,Fmm2,A2B2CD3_oF32_42_c_d_a_ab:S-Se-Ta-Tl,8.0,A2B2CD3_oF32_42_c_d_a_ab:S-Se-Ta-Tl +mp-1217890,TaSeS,-7.72162089,-1.2249078985,0.03355888,0.03355888,GGA,P3m1,ABC_hP3_156_a_b_c:S-Se-Ta,3.0,ABC_hP3_156_a_b_c:S-Se-Ta +mp-1217968,Ta4SeS,-9.8433757467,-0.6661304359,0.0348605083,0.0348605083,GGA,P4mm,ABC4_tP6_99_a_b_2a2b:S-Se-Ta,6.0,ABC4_tP6_99_a_b_2a2b:S-Se-Ta +mp-542140,Ta2Tl4Se11,-5.0119366453,-0.7989275805,0.0,-0.0532409755,GGA,P-1,A11B2C4_aP34_2_11i_2i_4i:Se-Ta-Tl,34.0,A11B2C4_aP34_2_11i_2i_4i:Se-Ta-Tl +mp-10795,TaTlS3,-6.416457265,-1.0905031895,0.0003151445,0.0003151445,GGA,Pnma,A3BC_oP20_62_3c_c_c:S-Ta-Tl,20.0,A3BC_oP20_62_3c_c_c:S-Ta-Tl +mp-12027,TaTlSe3,-5.8580510765,-0.9164200346,0.0244870243,0.0244870243,GGA,Pnma,A3BC_oP20_62_3c_c_c:Se-Ta-Tl,20.0,A3BC_oP20_62_3c_c_c:Se-Ta-Tl +mp-10644,TaTl3Se4,-4.9517887062,-0.8356195837,0.0,-0.0810627256,GGA,I-43m,A4BC3_cI16_217_c_a_b:Se-Ta-Tl,8.0,A4BC3_cI16_217_c_a_b:Se-Ta-Tl +mp-7562,TaTl3S4,-5.3721642763,-0.9357259591,0.0,-0.0624171028,GGA,I-43m,A4BC3_cI16_217_c_a_b:S-Ta-Tl,8.0,A4BC3_cI16_217_c_a_b:S-Ta-Tl +mp-1217794,Ta10SeS3,-10.17233728,-0.5664060387000001,0.0763730857,0.0763730857,GGA,P4mm,A3BC10_tP14_99_a2b_a_5a5b:S-Se-Ta,14.0,A3BC10_tP14_99_a2b_a_5a5b:S-Se-Ta +mp-977559,Dy2MgGe2,-4.78774962,-0.775767732,0.0,-0.0761975425,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Dy-Ge-Mg,10.0,A2B2C_tP10_127_h_g_a:Dy-Ge-Mg +mp-1225380,Dy6Mg(GeS7)2,-6.0596245378,-1.8684351928,0.0004842481,0.0004842481,GGA,P3,A6B2CD14_hP23_143_2d_ab_c_ab4d:Dy-Ge-Mg-S,23.0,A6B2CD14_hP23_143_2d_ab_c_ab4d:Dy-Ge-Mg-S +mp-9084,CsGdS2,-7.8806655975,-2.069559511,0.0,-0.1586276397,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Gd-S,4.0,ABC2_hR12_166_a_b_c:Cs-Gd-S +mp-630711,CsGdSiS4,-7.0105212529,-1.7330009515,0.0,-0.0662420633,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cs-Gd-S-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Cs-Gd-S-Si, expected CsGdSiS13 to be CsGdSiS4" +mp-568385,SrLiGaN2,-5.3887494407,-0.7288490022,0.0,-0.0091048734,GGA,C2/m,ABC2D_mC60_12_ij_ij_2i2j_ghi:Ga-Li-N-Sr,30.0,"Invalid WP multiplicities - ABC2D_mC60_12_i2j_2i2j_3i6j_gh2i:Ga-Li-N-Sr, expected Sr4Li6(GaN3)5 to be SrLiGaN2" +mp-1096141,Sr2LiGa,-0.86208834,1.216913109,1.4356675694,1.4356675694,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Li-Sr,4.0,ABC2_oI8_71_a_b_e:Ga-Li-Sr +mp-1187085,Sr2LiGa,-2.263871705,-0.184870256,0.0338842044,0.0338842044,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ga-Li-Sr,4.0,ABC2_cF16_225_a_b_c:Ga-Li-Sr +mp-1214580,Ba3Cd(SiO4)2,-7.151586985,-3.0727326757,0.0196605727,0.0196605727,GGA,P-3m1,A3BC8D2_hP14_164_ad_b_di_d:Ba-Cd-O-Si,14.0,A3BC8D2_hP14_164_ad_b_di_d:Ba-Cd-O-Si +mp-1078491,LaFe2AsN,-7.732094194,-0.757761623,0.0,-0.0060702085,GGA,Cmcm,AB2CD_oC20_63_c_f_c_a:As-Fe-La-N,10.0,AB2CD_oC20_63_c_f_c_a:As-Fe-La-N +mp-1113622,Cs2AgIrF6,-4.667425831,-2.1743589578,0.0658742593,0.0658742593,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ir,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Ir +mp-21611,Na2InCuF7,-4.7040925818,-2.6244295128,0.0087844125,0.0087844125,GGA,Pnma,AB7CD2_oP44_62_a_3c2d_c_bc:Cu-F-In-Na,44.0,"Invalid WP multiplicities - AB7CD2_oP44_62_a_11c11d_c_2b2c:Cu-F-In-Na, expected Na4InCuF33 to be Na2InCuF7" +mp-1111083,Na2InCuF6,-4.534808202,-2.4383267228,0.1839268672,0.1839268672,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-Na +mp-1112689,Cs2KTmCl6,-4.371563038,-2.5247371306,0.0,-0.0095901827,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tm,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tm +mp-1112758,Cs2KNdBr6,-3.92702669,-2.2282745796,0.0,-0.0135325238,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Nd +mp-1111639,K2NaLuCl6,-4.348730666,-2.4331812993,0.0,-0.0095110713,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Lu-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Lu-Na +mp-1208686,SrCaCrF7,-6.445592404,-3.7727430464,0.0,-0.008445007,GGA+U,Pnma,ABC7D_oP40_62_c_c_3c2d_c:Ca-Cr-F-Sr,40.0,ABC7D_oP40_62_c_c_3c2d_c:Ca-Cr-F-Sr +mp-989544,Cs2SeClF6,-4.055099893,-2.1946872243,0.0,-0.013099565,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cl-Cs-F-Se,10.0,AB2C6D_cF40_225_a_c_e_b:Cl-Cs-F-Se +mp-1110591,Rb2GaAuF6,-4.486139442,-2.5129474447,0.1094407869,0.1094407869,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-Rb +mp-22260,Y(MnSn)6,-6.7186642654,-0.1420493426,0.0,-0.001257171,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Mn-Sn-Y,13.0,A6B6C_hP13_191_i_cde_a:Mn-Sn-Y +mp-1198298,YMnSn2,-6.3007311873,-0.3888236584,0.0687508995,0.0687508995,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Mn-Sn-Y,48.0,AB2C_oP48_55_ei_2g2hi_gi:Mn-Sn-Y +mp-1207748,YMn6(Sn2Ge)2,-6.8979499685,-0.2269571996,0.0,-0.011305245,GGA,P6/mmm,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Y,13.0,A2B6C4D_hP13_191_c_i_de_a:Ge-Mn-Sn-Y +mp-1206177,YSnGe,-5.6745260733,-0.6415024656,0.0,-0.012832114,GGA,Cmcm,ABC_oC12_63_c_c_c:Ge-Sn-Y,6.0,ABC_oC12_63_c_c_c:Ge-Sn-Y +mp-1189408,Sr2HoTaO6,-8.5628257445,-3.6128951771,0.0,-0.0334719653,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ho-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Ho-O-Sr-Ta +mp-1025195,Nb2VSe4,-7.2659238514,-1.0844721285,0.039501109,0.039501109,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Nb-Se-V,7.0,"Invalid WP multiplicities - A2B4C_mC14_12_i_3i_a:Nb-Se-V, expected Nb2VSe6 to be Nb2VSe4" +mp-1220694,Nb2VFeSe10,-6.1124636807,-0.9184885281,0.0201200741,0.0201200741,GGA,Pm,AB2C10D_mP14_6_a_ab_5a5b_b:Fe-Nb-Se-V,14.0,AB2C10D_mP14_6_a_ab_5a5b_b:Fe-Nb-Se-V +mp-1105840,Nb3VSe6,-7.216500905,-1.1801718994,0.0,-0.0163903058,GGA,P6_322,A3B6C_hP20_182_af_i_c:Nb-Se-V,20.0,A3B6C_hP20_182_af_i_c:Nb-Se-V +mp-1220702,Nb5V(FeSe10)2,-6.1541805979,-0.9238697677,0.0307779864,0.0307779864,GGA,P1,A2B5C20D_aP28_1_2a_5a_20a_a:Fe-Nb-Se-V,28.0,A2B5C20D_aP28_1_2a_5a_20a_a:Fe-Nb-Se-V +mp-1220612,Nb5V(FeSe10)2,-6.1618848782,-0.9315740481,0.023073706,0.023073706,GGA,Pm,A2B5C20D_mP28_6_2a_2a3b_10a10b_b:Fe-Nb-Se-V,28.0,A2B5C20D_mP28_6_2a_2a3b_10a10b_b:Fe-Nb-Se-V +mp-1220619,Nb4V3FeSe20,-6.1757814157,-0.9598818038,0.0147898633,0.0147898633,GGA,Pm,AB4C20D3_mP28_6_a_2a2b_10a10b_a2b:Fe-Nb-Se-V,28.0,AB4C20D3_mP28_6_a_2a2b_10a10b_a2b:Fe-Nb-Se-V +mp-1216659,V2FeSe4,-6.6169505843,-0.8138821185,0.0497069726,0.0497069726,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Fe-Se-V,7.0,AB4C2_mC14_8_a_4a_2a:Fe-Se-V +mp-1025182,V2FeSe4,-6.6383513657,-0.8352828999,0.0283061911,0.0283061911,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-Se-V,7.0,AB4C2_mC14_12_a_2i_i:Fe-Se-V +mp-1095905,NbV2Fe,-5.231116225,3.9536683725,4.0857934163,4.0857934163,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Nb-V,4.0,ABC2_oI8_71_a_b_e:Fe-Nb-V +mp-936895,V(FeSe2)2,-1.9303410186,3.7850296101,4.5065427157,4.5065427157,GGA,P1,A2B4C_aP7_1_2a_4a_a:Fe-Se-V,7.0,A2B4C_aP7_1_2a_4a_a:Fe-Se-V +mp-675747,V(FeSe2)2,-6.1193994429,-0.4040288142,0.3174842914,0.3174842914,GGA,P1,A2B4C_aP7_1_2a_4a_a:Fe-Se-V,7.0,A2B4C_aP7_1_2a_4a_a:Fe-Se-V +mp-1100951,V(FeSe2)2,-5.79417138,-0.0788007513,0.6427123543000001,0.6427123543000001,GGA,P1,A2B4C_aP7_1_2a_4a_a:Fe-Se-V,7.0,A2B4C_aP7_1_2a_4a_a:Fe-Se-V +mp-1216826,V(FeSe2)2,-6.3833571271,-0.6679864985,0.0535266071,0.0535266071,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Fe-Se-V,7.0,A2B4C_mC14_8_2a_4a_a:Fe-Se-V +mp-1078113,V(FeSe2)2,-6.3572388057,-0.6418681771,0.0796449286,0.0796449286,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Fe-Se-V,7.0,A2B4C_mC14_12_i_2i_a:Fe-Se-V +mp-961658,VFeSe,-7.3302681433,-0.3136552241,0.3118047708,0.3118047708,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Se-V,3.0,ABC_cF12_216_c_a_b:Fe-Se-V +mp-1209978,Nb4VSe8,-7.1500301758,-1.1918441718,0.0,-0.0172494071,GGA,P6_3/mmc,A4B8C_hP26_194_bh_fk_a:Nb-Se-V,26.0,A4B8C_hP26_194_bh_fk_a:Nb-Se-V +mp-1087238,Y(CuSn)2,-4.878651199,-0.3418455663,0.0483453857,0.0483453857,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Cu-Sn-Y,10.0,A2B2C_tP10_129_ac_bc_c:Cu-Sn-Y +mp-1206766,Y2(CuSn)3,-4.090193135,0.5672165902,1.0491274533,1.0491274533,GGA,P4/mmm,A3B3C2_tP8_123_ag_bg_g:Cu-Sn-Y,8.0,A3B3C2_tP8_123_ag_bg_g:Cu-Sn-Y +mp-1095575,Y3(CuSn)4,-5.2358314991,-0.5236017318,0.0,-0.0162348214,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Y,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Sn-Y +mp-1207691,YCu5Sn,-4.6786957979,-0.2541134667,0.0094300286,0.0094300286,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Sn-Y,28.0,A5BC_oP28_62_3cd_c_c:Cu-Sn-Y +mp-13202,YCuSn,-5.4733513683,-0.6149348222000001,0.0,-0.070410292,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Sn-Y,6.0,ABC_hP6_186_b_b_a:Cu-Sn-Y +mp-1207821,Y3CuSnSe7,-5.8705051029,-1.5388740855,0.036996811,0.036996811,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Sn-Y,24.0,AB7CD3_hP24_173_a_b2c_b_c:Cu-Se-Sn-Y +mp-1192356,La3BeCrS7,-6.7278177942,-1.9648485677,0.0262776679,0.0262776679,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-La-S +mp-1105165,Sr2YbMoO6,-7.537358187,-2.9929204306,0.0,-0.0515789365,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mo-O-Sr-Yb,,AB6C2D_mP20_14_a_3e_e_b:Mo-O-Sr-Yb +mp-1105108,Er(CrGe)6,-7.1382322946,-0.1979114669,0.0088637495,0.0088637495,GGA,P6/mmm,A6BC6_hP13_191_i_a_cde:Cr-Er-Ge,13.0,A6BC6_hP13_191_i_a_cde:Cr-Er-Ge +mp-1213301,ErCrGeO5,-8.2863003309,-2.8391456195,0.0153196789,0.0153196789,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Er-Ge-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Er-Ge-O +mp-1225093,Er2CrGe4,-5.7690243114,-0.44322481,0.0902648824,0.0902648824,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Cr-Er-Ge,7.0,AB2C4_oC14_38_a_ab_2a2b:Cr-Er-Ge +mp-553874,Ba2LaAg5S6,-4.6858270579,-1.2747244719,0.0,-0.0404243795,GGA,C2/m,A5B2CD6_mC28_12_a2i_i_d_3i:Ag-Ba-La-S,14.0,"Invalid WP multiplicities - A5B2CD6_mC28_12_a2i_i_c_4i:Ag-Ba-La-S, expected Ba2LaAg5S8 to be Ba2LaAg5S6" +mp-555699,BaLa(BiS3)2,-5.4337680987,-1.4983021481,0.0,-0.0039099321,GGA,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Ba-Bi-La-S,40.0,"Invalid WP multiplicities - AB2CD6_mP40_14_e_4e_e_22e:Ba-Bi-La-S, expected BaLa(Bi2S11)2 to be BaLa(BiS3)2" +mp-984082,CsGdO3,-8.231932934,-2.2696147848,0.2189109055,0.2189109055,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Gd-O,5.0,ABC3_cP5_221_a_b_c:Cs-Gd-O +mp-755651,CsGdO2,-9.1312295613,-2.9150040526,0.0,-0.0339992819,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Gd-O,8.0,ABC2_hP8_194_c_a_f:Cs-Gd-O +mp-1191993,CsGd(MoO4)2,-8.8828996667,-2.5298717898,0.0015165996,-0.0180851382,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Cs-Gd-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Cs-Gd-Mo-O +mp-1213304,CsGd(MoO4)2,-8.8436776633,-2.4906497865,0.0407386029,0.0211368651,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-Gd-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-Gd-Mo-O +mp-1213392,CsGd(MoO4)2,-8.8844162663,-2.5313883894,0.0,-0.0196017378,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Cs-Gd-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Cs-Gd-Mo-O +mp-1189585,NdCrTeO6,-7.7647817822,-2.5153781085,0.0,-0.0294204208,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Nd-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Nd-O-Te +mp-1209883,NdCrTeO6,-7.4399604506,-2.1905567769,0.3248213317,0.2954009108,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Nd-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Nd-O-Te +mp-510696,Cs4Sn2Au7,-3.0204257754,-0.3652006063,0.0,-0.11939886,GGA,R-3m,A7B4C2_hR39_166_ah_2c_c:Au-Cs-Sn,13.0,"Invalid WP multiplicities - A7B4C2_hR39_166_a2h_3c_c:Au-Cs-Sn, expected Cs6Sn2Au13 to be Cs4Sn2Au7" +mp-1077383,CsAuS,-3.7129125933,-0.9443345137,0.0,-0.0520072178,GGA,Cmcm,ABC_oC12_63_a_c_c:Au-Cs-S,6.0,ABC_oC12_63_a_c_c:Au-Cs-S +mp-9384,CsAu3S2,-3.8326650867,-0.6676737357,0.0,-0.0493820031,GGA,P-3m1,A3BC2_hP6_164_e_b_d:Au-Cs-S,6.0,A3BC2_hP6_164_e_b_d:Au-Cs-S +mp-1181655,Cs3Sn4Au,-2.9962535681,-0.2464565011,0.0423031875,0.0423031875,GGA,Pmmn,AB3C4_oP16_59_a_be_ef:Au-Cs-Sn,16.0,"Invalid WP multiplicities - AB3C4_oP16_59_a_b2e_3e3f:Au-Cs-Sn, expected Cs5Sn12Au to be Cs3Sn4Au" +mp-1104686,Cs4Au6S5,-3.7725953167,-0.8454519285000001,0.0,-0.011781726,GGA,P31m,A6B4C5_hP15_157_d_ac_bc:Au-Cs-S,15.0,A6B4C5_hP15_157_d_ac_bc:Au-Cs-S +mp-561710,CsSnS3,-4.468079328,-1.0052145625,0.0,-0.1004296448,GGA,P-1,AB3C_aP10_2_i_3i_i:Cs-S-Sn,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Cs-S-Sn, expected CsSnS5 to be CsSnS3" +mp-505141,Cs2SnS14,-4.4940038116,-0.7463170625000001,0.0,-0.1881587615,GGA,P2_1/c,A2B14C_mP68_14_2e_14e_e:Cs-S-Sn,68.0,A2B14C_mP68_14_2e_14e_e:Cs-S-Sn +mp-561641,Cs2Sn(AuS2)2,-4.1423917717,-0.9319539865,0.0,-0.0389061319,GGA,Fddd,A2B2C4D_oF72_70_e_e_h_a:Au-Cs-S-Sn,18.0,A2B2C4D_oF72_70_e_e_h_a:Au-Cs-S-Sn +mp-20670,Yb(MnGe)2,-6.227716932,-0.4057780172,0.0,-0.0525110087,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Ge-Mn-Yb,,A2B2C_tI10_139_e_d_a:Ge-Mn-Yb +mp-1104772,Yb(MnGe)6,-6.7648839631,-0.2841249506,0.0,-0.0525116877,GGA,P6/mmm,A6B6C_hP13_191_cde_i_a:Ge-Mn-Yb,,A6B6C_hP13_191_cde_i_a:Ge-Mn-Yb +mp-19878,YbMnGe,-5.4913413183,-0.383124176,0.060730233,0.060730233,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mn-Yb,,ABC_oP12_62_c_c_c:Ge-Mn-Yb +mp-21062,YbMnGe,-5.4347471456,-0.3265300032,0.1173244058,0.1173244058,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Mn-Yb,,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Ge-Mn-Yb, expected Yb3Mn3Ge5 to be YbMnGe" +mp-1216304,Yb2Mn(GeO3)4,-7.1652739803,-2.4235051483,0.0001316818,0.0001316818,GGA+U,Cmme,A4BC12D2_oC76_67_o_c_mn2o_ae:Ge-Mn-O-Yb,,"Invalid WP multiplicities - A4BC12D2_oC76_67_o_c_3m2n9o_ae:Ge-Mn-O-Yb, expected Yb2Mn(Ge2O23)2 to be Yb2Mn(GeO3)4" +mp-770662,CdCoO3,-5.7140800590000005,-1.1398253212,0.0659679526,0.0659679526,GGA+U,R-3,ABC3_hR30_148_c_c_f:Cd-Co-O,10.0,ABC3_hR30_148_c_c_f:Cd-Co-O +mp-1031971,Mg6CdCoO8,-6.0637250256,-2.4883251791,0.1335006036,0.1335006036,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cd-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cd-Co-Mg-O, expected Mg6CdCoO12 to be Mg6CdCoO8" +mp-1031978,Mg6CdCoO8,-6.07672554,-2.5013256934,0.1205000892,0.1205000892,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cd-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cd-Co-Mg-O, expected Mg6CdCoO12 to be Mg6CdCoO8" +mp-1022031,Mg6CdCo,-2.1172012006,0.0869097813,0.1431494464,0.1431494464,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Co-Mg, expected Mg12CdCo to be Mg6CdCo" +mp-1022038,Mg6CdCo,-2.1152099269,0.088901055,0.1451407201,0.1451407201,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Co-Mg, expected Mg12CdCo to be Mg6CdCo" +mp-1036919,Mg30CdCoO32,-6.2637146994,-2.9147514523,0.0312352179,0.0312352179,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cd-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cd-Co-Mg-O, expected Mg90CdCoO80 to be Mg30CdCoO32" +mp-1036927,Mg30CdCoO32,-6.2656517998,-2.9166885527,0.0292981175,0.0292981175,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cd-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cd-Co-Mg-O, expected Mg110CdCoO72 to be Mg30CdCoO32" +mp-2232704,MgCd2(CoO2)4,-6.0928203967,-1.3292977007,0.2451885715,0.2451885715,GGA+U,P1,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Co-Mg-O,15.0,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Co-Mg-O +mp-2232612,MgCd2(CoO2)4,-6.121265302,-1.357742606,0.2167436661,0.2167436661,GGA+U,P1,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Co-Mg-O,15.0,A2B4CD8_aP15_1_2a_4a_a_8a:Cd-Co-Mg-O +mp-2240887,MgCd2(CoO2)4,-6.0408604773,-1.2773377813,0.2971484908,0.2971484908,GGA+U,C2,A2B4CD8_mC30_5_ab_2c_a_4c:Cd-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_5_ab_2c_a_6c:Cd-Co-Mg-O, expected MgCd2(CoO3)4 to be MgCd2(CoO2)4" +mp-2232561,MgCd2(CoO2)4,-6.1271810467,-1.3636583507,0.2108279215,0.2108279215,GGA+U,Cm,A2B4CD8_mC30_8_2a_2ab_a_4a2b:Cd-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_8_2a_2ab_a_4a4b:Cd-Co-Mg-O, expected MgCd2(CoO3)4 to be MgCd2(CoO2)4" +mp-2232418,MgCd2(CoO2)4,-6.028877734,-1.265355038,0.3091312341,0.3091312341,GGA+U,Imm2,A2B4CD8_oI30_44_ab_cd_a_2c2d:Cd-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_ab_cd_a_2c4d:Cd-Co-Mg-O, expected MgCd2(CoO3)4 to be MgCd2(CoO2)4" +mp-2232736,MgCd2(CoO2)4,-5.9091581373,-1.1456354413,0.4288508308,0.4288508308,GGA+U,I-4m2,A2B4CD8_tI30_119_ac_i_b_2i:Cd-Co-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_tI30_119_ac_i_b_6i:Cd-Co-Mg-O, expected MgCd2(CoO6)4 to be MgCd2(CoO2)4" +mp-1652319,Cd6(CoO3)5,-5.610907515,-1.1770898918,0.0873534646,0.0873534646,GGA+U,P1,A6B5C15_aP26_1_6a_5a_15a:Cd-Co-O,26.0,A6B5C15_aP26_1_6a_5a_15a:Cd-Co-O +mp-754447,Cd6(CoO3)5,-5.6040826808,-1.1702650575,0.0941782988,0.0941782988,GGA+U,R32,A6B5C15_hR78_155_de_a2c_e2f:Cd-Co-O,26.0,A6B5C15_hR78_155_de_a2c_e2f:Cd-Co-O +mp-769705,Cd(CoO2)2,-6.2288549957,-1.2393863964,0.0930760779,0.03340545,GGA+U,P1,AB2C4_aP28_1_4a_8a_16a:Cd-Co-O,28.0,AB2C4_aP28_1_4a_8a_16a:Cd-Co-O +mp-1303588,Cd(CoO2)2,-6.2380382164,-1.2485696171,0.0838928571,0.0242222293,GGA+U,P-1,AB2C4_aP14_2_i_abcf_4i:Cd-Co-O,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_i_abcf_8i:Cd-Co-O, expected Cd(CoO4)2 to be Cd(CoO2)2" +mp-1178482,Cd(CoO2)2,-6.2155940482,-1.2261254489,0.1063370254,0.0466663975,GGA+U,P2_1/m,AB2C4_mP28_11_2e_acf_4f:Cd-Co-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_59_2ab_ce_3e2g:Cd-Co-O, expected Cd3(Co2O7)2 to be Cd(CoO2)2" +mp-754042,Cd(CoO2)2,-6.3085497043,-1.319081105,0.0133813693,-0.0462892586,GGA+U,Pmmn,AB2C4_oP28_59_ab_ce_2eg:Cd-Co-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_59_2ab_ce_3e2g:Cd-Co-O, expected Cd3(Co2O7)2 to be Cd(CoO2)2" +mp-1178498,Cd(CoO2)2,-6.2281804071,-1.2387118079,0.0937506664,0.0340800386,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Cd-Co-O,14.0,AB2C4_tI28_141_a_d_h:Cd-Co-O +mp-756301,Cd(CoO2)2,-6.3219310736,-1.3324624743,0.0,-0.0596706279,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Co-O,14.0,AB2C4_cF56_227_a_d_e:Cd-Co-O +mp-1207395,ZrHg3(SBr3)2,-3.4047253433,-1.1505743901,0.0,-0.0032562683,GGA,P2_1/c,A6B3C2D_mP24_14_3e_ae_e_d:Br-Hg-S-Zr,24.0,A6B3C2D_mP24_14_3e_ae_e_d:Br-Hg-S-Zr +mp-1220835,NdDyFe14C,-8.1050804188,-0.0354394362,0.0087615211,0.0087615211,GGA,P4_2/mnm,ABC14D_tP68_136_f_f_ce2j2k_g:C-Dy-Fe-Nd,68.0,ABC14D_tP68_136_f_f_ce2j2k_g:C-Dy-Fe-Nd +mp-1220175,NdDyC4,-7.8683960017,-0.1534632946,0.0389034277,0.0389034277,GGA,C2/m,A4BC_mC12_12_2i_a_d:C-Dy-Nd,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_d:C-Dy-Nd, expected NdDyC8 to be NdDyC4" +mp-1246575,LuMgTiS4,-6.2366746286,-1.8706000494,0.0699626404,0.0699626404,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Lu-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Lu-Mg-S-Ti, expected LuMgTiS12 to be LuMgTiS4" +mp-1247231,Lu3Mg2TiS8,-6.1442004221,-2.0191645213,0.042449073,0.042449073,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Lu-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Lu-Mg-S-Ti, expected Lu3Mg2TiS22 to be Lu3Mg2TiS8" +mp-1247101,LuMg2Ti3S8,-6.3432827221,-1.7361694646,0.0833423205,0.0833423205,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Lu-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Lu-Mg-S-Ti, expected LuMg2Ti3S16 to be LuMg2Ti3S8" +mp-1225446,Dy(Fe5Mo)2,-8.5462511515,-0.0079204469,0.0150454031,0.0150454031,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Dy-Fe-Mo,13.0,AB10C2_oI26_71_a_efhk_g:Dy-Fe-Mo +mp-1225454,Dy2FeMoO7,-8.4762278155,-2.7347672719,0.147039968,0.147039968,GGA+U,C2/m,A2BCD7_mC44_12_abf_e_cd_3i2j:Dy-Fe-Mo-O,22.0,"Invalid WP multiplicities - A2BCD7_mC44_12_ab2e_f_cd_5i4j:Dy-Fe-Mo-O, expected Dy3FeMoO13 to be Dy2FeMoO7" +mp-1246626,Ba3(GeN2)2,-5.8401948767,-0.4680881844,0.2105920582,0.2105920582,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Ge-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Ge-N +mp-570245,Ba2GaGeN,-4.621816573,-0.6567028365,0.0,-0.03734655,GGA,P2_1/m,A2BCD_mP10_11_2e_e_e_e:Ba-Ga-Ge-N,10.0,"Invalid WP multiplicities - A2BCD_mP10_11_4e_e_e_e:Ba-Ga-Ge-N, expected Ba4GaGeN to be Ba2GaGeN" +mp-16859,Ba6Ga5N,-3.3917833975,-0.475881341,0.0,-0.0346318026,GGA,R-3c,A6B5C_hR72_167_f_ce_b:Ba-Ga-N,24.0,"Invalid WP multiplicities - A6B5C_hR72_167_f_c2e_b:Ba-Ga-N, expected Ba6Ga8N to be Ba6Ga5N" +mp-1246705,Ba4GeN4,-5.6596196817,-0.5879633133000001,0.0884662705,0.0884662705,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ba-Ge-N,18.0,A4BC4_aP18_2_4i_i_4i:Ba-Ge-N +mp-1245493,Ba4GeN4,-5.4879278672,-0.4162714989,0.2601580849,0.2601580849,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:Ba-Ge-N,36.0,A4BC4_oP36_62_4c_c_4c:Ba-Ge-N +mp-1245756,Ba7GeN6,-5.4309804002,-0.5684931155,0.0702650075,0.0702650075,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ba-Ge-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ba-Ge-N +mp-1019515,Ba3Ga3N5,-5.7879022257,-0.6493851791,0.0070618157,0.0070618157,GGA,C2/c,A3B3C5_mC88_15_2e2f_3f_5f:Ba-Ga-N,44.0,A3B3C5_mC88_15_2e2f_3f_5f:Ba-Ga-N +mp-1029679,BaGe7N10,-6.8918970731,-0.3560571189,0.0,-0.0299945783,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Ba-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Ba-Ge-N +mp-1029573,Ba3GaN3,-5.4731366143,-0.6453500975,0.0,-0.013424908,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Ga-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Ga-N +mp-1228029,Ba6Ge2N7,-5.8346342373,-0.5602762490000001,0.1463464839,0.1463464839,GGA,R-3,A6B2C7_hR45_148_f_c_af:Ba-Ge-N,15.0,A6B2C7_hR45_148_f_c_af:Ba-Ge-N +mp-29092,Ba3(GeN)2,-5.2113718186,-0.6862331929000001,0.0,-0.0132862093,GGA,P2_1/m,A3B2C2_mP14_11_3e_2e_2e:Ba-Ge-N,14.0,"Invalid WP multiplicities - A3B2C2_mP14_11_3e_4e_2e:Ba-Ge-N, expected Ba3(Ge2N)2 to be Ba3(GeN)2" +mp-18297,Ba3(GaN2)2,-5.6713431856,-0.6536657894,0.0026990111,0.0026990111,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Ga-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Ga-N +mp-601322,Ba6Ge5N2,-4.5915797277,-0.6452736688,0.0,-0.0005823438,GGA,Pmmn,A6B5C2_oP26_59_ab2e_a2e_e:Ba-Ge-N,26.0,"Invalid WP multiplicities - A6B5C2_oP26_59_a2b3e_2a6e_e:Ba-Ge-N, expected Ba9(Ge7N)2 to be Ba6Ge5N2" +mp-1029743,BaGeN2,-6.4037958314,-0.6000476702,0.0,-0.0107331774,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ba-Ge-N,64.0,ABC2_oP64_61_2c_2c_4c:Ba-Ge-N +mp-1246227,Ba5(GeN3)2,-5.963839125,-0.6669237435,0.0500751058,0.0500751058,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Ba-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Ba-Ge-N +mp-16788,Gd2SiTeO4,-10.3249580509,-3.2615051449,0.0192249391,0.0192249391,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_c_d:Gd-O-Si-Te,32.0,A2B4CD_oP32_57_cd_2e_c_d:Gd-O-Si-Te +mp-1201630,TiAs2Pb2O9,-7.0415624454,-2.1016180619,0.0130817816,0.0130817816,GGA,P2_1/c,A2B9C2D_mP56_14_2e_9e_2e_e:As-O-Pb-Ti,56.0,A2B9C2D_mP56_14_2e_9e_2e_e:As-O-Pb-Ti +mp-556906,Na3LiBe2F8,-5.3331558204,-3.2869303763,0.0075284624,0.0075284624,GGA,P2_1/c,A2B8CD3_mP56_14_2e_8e_e_3e:Be-F-Li-Na,56.0,"Invalid WP multiplicities - A2B8CD3_mP56_14_6e_27e_e_10e:Be-F-Li-Na, expected Na10LiBe6F27 to be Na3LiBe2F8" +mp-1209980,NaLiBeF4,-5.4030043,-3.314893315,0.0034549429,0.0034549429,GGA,Pnma,AB4CD_oP28_62_c_2cd_a_c:Be-F-Li-Na,28.0,AB4CD_oP28_62_c_2cd_a_c:Be-F-Li-Na +mp-12240,Na2LiBe2F7,-5.45160452,-3.333841857,0.0,-0.0001404167,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-F-Li-Na,24.0,"Invalid WP multiplicities - A2B7CD2_tP24_113_e_ce2f_a_e:Be-F-Li-Na, expected Na2LiBe2F11 to be Na2LiBe2F7" +mp-585476,Cs7Np3(Cl2O)6,-6.0626029307,-2.599255508,0.0,-0.1269525968,GGA,I-43d,A12B7C3D6_cI112_220_e_ac_b_d:Cl-Cs-Np-O,56.0,A12B7C3D6_cI112_220_e_ac_b_d:Cl-Cs-Np-O +mp-1192766,NpClO10,-6.2071074754,-0.8518405209000001,0.2680843767,0.2680843767,GGA,P2_1,ABC10_mP24_4_a_a_10a:Cl-Np-O,24.0,ABC10_mP24_4_a_a_10a:Cl-Np-O +mp-1183933,CsNpO3,-8.721830296,-2.9851806586,0.089051284,0.089051284,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cs-Np-O,5.0,ABC3_cP5_221_a_b_c:Cs-Np-O +mp-1193524,CsNpCl2O3,-7.2147659189,-2.5890057036,0.0,-0.0669796339,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:Cl-Cs-Np-O,28.0,A2BCD3_mP28_14_2e_e_e_3e:Cl-Cs-Np-O +mp-23161,NpCl4,-6.162372862,-2.0939875977,0.0,-0.306704434,GGA,I4_1/amd,A4B_tI20_141_h_a:Cl-Np,10.0,A4B_tI20_141_h_a:Cl-Np +mp-23636,Cs3Np(Cl2O)2,-5.897557982,-2.605406896,0.0040065132,0.0040065132,GGA,C2/c,A4B3CD2_mC40_15_2f_ef_c_f:Cl-Cs-Np-O,20.0,A4B3CD2_mC40_15_2f_ef_c_f:Cl-Cs-Np-O +mp-754973,Cs2NpO3,-7.4520478708,-2.5222727776,0.0395871745,0.0395871745,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Cs-Np-O,12.0,"Invalid WP multiplicities - A2BC3_oC24_36_b_a_a2b:Cs-Np-O, expected Cs2NpO5 to be Cs2NpO3" +mp-1025274,Cs2NpO4,-7.78021451,-2.8480231857,0.0,-0.3639949729,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:Cs-Np-O,7.0,A2BC4_tI14_139_e_a_ce:Cs-Np-O +mp-23278,NpCl3,-6.85745137,-2.2341039547,0.0,-0.2709905818,GGA,P6_3/m,A3B_hP8_176_h_c:Cl-Np,8.0,A3B_hP8_176_h_c:Cl-Np +mp-624928,KEu(CuTe2)2,-4.9083499213,-0.8909702137000001,0.0170975752,0.0170975752,GGA,P4mm,A2BCD4_tP8_99_c_a_b_abc:Cu-Eu-K-Te,8.0,"Invalid WP multiplicities - A2BCD4_tP8_99_c_a_b_ab2c:Cu-Eu-K-Te, expected KEu(CuTe3)2 to be KEu(CuTe2)2" +mp-1110753,K2RbTaBr6,-4.033336028,-1.5956080704,0.1996031636,0.1996031636,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Ta +mp-1114034,KRb2TbCl6,-4.347544496,-2.4678391808,0.0307243953,0.0307243953,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-K-Rb-Tb +mp-1111205,K2RbTbCl6,-4.29264566,-2.3999538573,0.0937686847,0.0937686847,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Tb +mp-1111600,K2RbGaCl6,-3.648688065,-1.9166232701,0.1324517125,0.1324517125,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Ga-K-Rb +mp-1114040,KRb2GaCl6,-3.694445122,-1.9753668145,0.0710358225,0.0710358225,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Ga-K-Rb +mp-975990,NaLiO3,-4.35389962,-0.7395967612000001,0.469173151,0.469173151,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Li-Na-O,5.0,ABC3_cP5_221_b_a_c:Li-Na-O +mp-1201246,NaLi2(RuO2)6,-7.2583172083,-1.5370290749,0.011802191,0.011802191,GGA,P-1,A2BC12D6_aP42_2_2i_i_12i_6i:Li-Na-O-Ru,42.0,A2BC12D6_aP42_2_2i_i_12i_6i:Li-Na-O-Ru +mp-1395639,NaLi2(RuO2)6,-0.4687923017,5.2524958318,6.8013270977,6.8013270977,GGA,P-1,A2BC12D6_aP42_2_2i_i_12i_6i:Li-Na-O-Ru,42.0,A2BC12D6_aP42_2_2i_i_12i_6i:Li-Na-O-Ru +mp-556097,NaLi2(RuO2)6,-7.2333471719,-1.5120590385,0.0367722274,0.0367722274,GGA,P-3,A2BC12D6_hP21_147_d_a_2g_g:Li-Na-O-Ru,21.0,"Invalid WP multiplicities - A2BC12D6_hP21_147_d_a_4g_g:Li-Na-O-Ru, expected NaLi2(RuO4)6 to be NaLi2(RuO2)6" +mp-1220813,NaLi2(RuO2)6,-7.2330060529,-1.5117179194,0.0371133465,0.0371133465,GGA,P-6,A2BC12D6_hP21_174_ad_e_2j2k_jk:Li-Na-O-Ru,21.0,A2BC12D6_hP21_174_ad_e_2j2k_jk:Li-Na-O-Ru +mp-755959,NaLiO,-4.372432585,-1.6463869612000002,0.1041039317,0.1041039317,GGA,I4/mmm,ABC_tI24_139_h_i_j:Li-Na-O,12.0,ABC_tI24_139_h_i_j:Li-Na-O +mp-755144,NaLiO,-4.40723307,-1.6811874462,0.0693034467,0.0693034467,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Li-Na-O,6.0,ABC_hP6_194_c_a_d:Li-Na-O +mp-1212785,Gd2NiRuO6,-9.902677097,-2.6139855003,0.0153994015,0.0153994015,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Gd-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Gd-Ni-O-Ru +mp-505216,Gd2Ru2O7,-9.943467175,-2.5500243987,0.0165152745,0.0165152745,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Gd-O-Ru,22.0,A2B7C2_cF88_227_c_af_d:Gd-O-Ru +mp-673761,Gd5(RuO7)2,-10.2914333786,-2.7589067958,0.0928080874,0.0928080874,GGA,C2/m,A5B14C2_mC42_12_bj_i3j_ac:Gd-O-Ru,21.0,"Invalid WP multiplicities - A5B14C2_mC42_12_a2j_2i9j_bc:Gd-O-Ru, expected Gd9(RuO20)2 to be Gd5(RuO7)2" +mp-683963,Gd3RuO7,-10.9654335783,-3.1354708293,0.0,-0.0462252957,GGA,Pna2_1,A3B7C_oP88_33_6a_14a_2a:Gd-O-Ru,88.0,"Invalid WP multiplicities - A3B7C_oP88_33_22a_51a_6a:Gd-O-Ru, expected Gd22(Ru2O17)3 to be Gd3RuO7" +mp-17237,Gd3RuO7,-10.9612112468,-3.1312484978,0.0042223315,-0.0420029642,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:Gd-O-Ru,22.0,A3B7C_oC44_63_ag_cgh_b:Gd-O-Ru +mp-1184370,Gd2NiRu,-11.12969114,-0.327995215,0.0,-0.02663397,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Ni-Ru +mp-504568,Ba2NiOsO6,-7.2535215183,-2.2009628926,0.0,-0.0405275377,GGA+U,P-3m1,A2BC6D_hP30_164_c2d_ad_3i_bd:Ba-Ni-O-Os,30.0,A2BC6D_hP30_164_c2d_ad_3i_bd:Ba-Ni-O-Os +mp-1220375,NbAlV2,-8.0677754575,-0.064102205,0.1129461358,0.1129461358,GGA,Cmm2,ABC2_oC8_35_a_b_ab:Al-Nb-V,4.0,ABC2_oC8_35_a_b_ab:Al-Nb-V +mp-1228822,AlV6Sn,-7.872959315,-0.0906363019,0.0090406994,0.0090406994,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Sn-V,8.0,ABC6_cP8_200_a_b_f:Al-Sn-V +mp-1220647,Nb3AlV3Sn,-8.2610257188,-0.0971780919,0.0617619982,0.0617619982,GGA,R3,AB3CD3_hR24_146_a_b_a_b:Al-Nb-Sn-V,8.0,AB3CD3_hR24_146_a_b_a_b:Al-Nb-Sn-V +mp-1229114,Al(V4Sn)3,-7.879215419999999,-0.0803926553,0.0020008891,0.0020008891,GGA,Pmmm,AB3C12_oP16_47_a_bl_2knpw:Al-Sn-V,16.0,"Invalid WP multiplicities - AB3C12_oP16_47_a_bl_4k2n2p2w:Al-Sn-V, expected Al(V8Sn)3 to be Al(V4Sn)3" +mp-1191167,RbMg(BrO2)3,-4.1424195468,-0.7860530577,0.3431240528,0.3431240528,GGA,C2/c,A3BC6D_mC44_15_af_b_3f_e:Br-Mg-O-Rb,22.0,A3BC6D_mC44_15_cf_d_3f_e:Br-Mg-O-Rb +mp-1191500,RbMg(BrO2)3,-4.2416422305,-0.8852757414,0.2439013692,0.2439013692,GGA,C2/c,A3BC6D_mC44_15_cf_d_3f_e:Br-Mg-O-Rb,22.0,A3BC6D_mC44_15_af_b_3f_e:Br-Mg-O-Rb +mp-1191766,RbMg(BrO2)3,-3.9283499332,-0.5719834441,0.5571936665,0.5571936665,GGA,C2/c,A3BC6D_mC44_15_cf_d_3f_e:Br-Mg-O-Rb,22.0,A3BC6D_mC44_15_af_b_3f_e:Br-Mg-O-Rb +mp-1078750,NaCaH3,-3.151041909,-0.4497812473,0.064464225,0.064464225,GGA,P-1,AB3C_aP10_2_i_3i_i:Ca-H-Na,10.0,AB3C_aP10_2_i_3i_i:Ca-H-Na +mp-1078933,NaCaH3,-3.145119177,-0.4438585153,0.070386957,0.070386957,GGA,R3c,AB3C_hR30_161_a_b_a:Ca-H-Na,10.0,AB3C_hR30_161_a_b_a:Ca-H-Na +mp-1180133,NaCaH6Ir,-4.2715341411,-0.6578768496,0.0,-0.2564488493,GGA,F-43m,AB6CD_cF36_216_a_g_c_b:Ca-H-Ir-Na,9.0,AB6CD_cF36_216_a_g_c_b:Ca-H-Ir-Na +mp-1228223,Ba5La3(GaO4)4,-7.1003345271,-2.969538117,0.0288368666,0.0288368666,GGA,P1,A5B4C3D16_aP28_1_5a_4a_3a_16a:Ba-Ga-La-O,28.0,A5B4C3D16_aP28_1_5a_4a_3a_16a:Ba-Ga-La-O +mp-1227901,BaLaGa3O7,-7.0598052192,-2.8459642949,0.0,-0.0157502523,GGA,Cmm2,AB3CD7_oC48_35_d_cde_e_abde2f:Ba-Ga-La-O,24.0,"Invalid WP multiplicities - AB3CD7_oC48_35_d_c2d2e_e_ab2d2e7f:Ba-Ga-La-O, expected BaLaGa5O19 to be BaLaGa3O7" +mp-1228569,Ba6La2Ga4O15,-6.9301826254000005,-2.9413463806,0.0097543571,0.0097543571,GGA,Cc,A6B4C2D15_mC108_9_6a_4a_2a_15a:Ba-Ga-La-O,54.0,"Invalid WP multiplicities - A6B4C2D15_mC108_9_9a_7a_4a_30a:Ba-Ga-La-O, expected Ba9La4Ga7O30 to be Ba6La2Ga4O15" +mp-541280,BaLaGaO4,-7.3561734079,-3.1176258489,0.0072142159,0.0072142159,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:Ba-Ga-La-O,28.0,ABCD4_oP28_19_a_a_a_4a:Ba-Ga-La-O +mp-553082,PrBi2ClO4,-6.6659759963,-2.4038290563,0.0,-0.0647843964,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Pr,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Pr +mp-1213101,Dy2CoPtO6,-7.7883354675,-2.5810197613,0.0323405475,0.0323405475,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Dy-O-Pt,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Dy-O-Pt +mp-1178365,Dy2Pt2O7,-7.550688845,-2.4613559997,0.0,-0.1325440841,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-Pt, expected DyPtO10 to be Dy2Pt2O7" +mp-1212158,Hf3GeO8,-9.69739393,-3.5250518771,0.0146435233,0.0146435233,GGA,I-42m,AB3C8_tI24_121_a_bd_2i:Ge-Hf-O,12.0,AB3C8_tI24_121_a_bd_2i:Ge-Hf-O +mp-776083,HfSnO3,-8.757209739,-2.9958443352,0.0686866265,0.0686866265,GGA,R-3,AB3C_hR30_148_c_f_c:Hf-O-Sn,10.0,AB3C_hR30_148_c_f_c:Hf-O-Sn +mp-1212426,HfGeO2,-8.1574710194,-2.0390724425,0.976421985,0.976421985,GGA,I4_1/a,ABC2_tI32_88_c_d_f:Ge-Hf-O,16.0,ABC2_tI32_88_c_d_f:Ge-Hf-O +mp-1212492,HfGeO2,-8.1601606169,-2.04176204,0.9737323875,0.9737323875,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ge-Hf-O,16.0,ABC2_tI32_141_c_d_h:Ge-Hf-O +mp-9755,HfGeO4,-8.786560185799999,-3.0587315642,0.0,-0.0094414143,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ge-Hf-O,12.0,ABC4_tI24_88_a_b_f:Ge-Hf-O +mp-761842,Hf3SnO8,-9.6378052567,-3.5165845371,0.0259924406,0.0259924406,GGA,P2,A3B8C_mP12_3_abc_4e_d:Hf-O-Sn,12.0,"Invalid WP multiplicities - A3B8C_mP12_3_abc_7e_d:Hf-O-Sn, expected Hf3SnO14 to be Hf3SnO8" +mp-10288,LaCuTeS,-5.64057969,-1.5618373062000002,0.0,-0.0556877116,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cu-La-S-Te,16.0,ABCD_mP16_14_e_e_e_e:Cu-La-S-Te +mp-1208372,Tb9Mg5Ni4,-4.2940534661,-0.2478733622,0.0015308264,0.0015308264,GGA,P4/mmm,A5B4C9_tP18_123_al_j_cko:Mg-Ni-Tb,18.0,A5B4C9_tP18_123_al_j_cko:Mg-Ni-Tb +mp-2217728,Tb2Mg(NiO3)2,-7.32406372,-2.586843913,0.2253250485,0.2253250485,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Tb,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Tb +mp-2217684,Tb2Mg(NiO3)2,-7.2537531191,-2.516533312,0.2956356494,0.2956356494,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Ni-O-Tb,11.0,"Invalid WP multiplicities - AB2C6D2_hR33_146_a_2a_4b_2a:Mg-Ni-O-Tb, expected Tb2Mg(NiO6)2 to be Tb2Mg(NiO3)2" +mp-1187347,TbMgO3,-6.979735644,-2.7647931873,0.448994662,0.448994662,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Mg-O-Tb,5.0,AB3C_cP5_221_b_c_a:Mg-O-Tb +mp-1077298,TbMgNi,-4.31547638,-0.31054877,0.0095377308,0.0095377308,GGA,Cmcm,ABC_oC12_63_c_c_c:Mg-Ni-Tb,6.0,ABC_oC12_63_c_c_c:Mg-Ni-Tb +mp-570272,Tb2Mg3Ni2,-3.9457183314,-0.2843118014,0.0,-0.0134065661,GGA,Cmmm,A3B2C2_oC14_65_ah_h_g:Mg-Ni-Tb,7.0,A3B2C2_oC14_65_ah_h_g:Mg-Ni-Tb +mp-1208458,Tb4MgNi,-4.5149525488,-0.1953056938,0.0,-0.0087163217,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ni-Tb,24.0,ABC4_cF96_216_e_e_efg:Mg-Ni-Tb +mp-1217746,Tb17Mg11Ni8,-4.2140507892,-0.2521508533,0.0,-0.0054090751,GGA,Pmmm,A11B8C17_oP36_47_a3ky_2y_b2jnp2z:Mg-Ni-Tb,36.0,"Invalid WP multiplicities - A11B8C17_oP36_47_a4ky_5y_b3j2n2p5z:Mg-Ni-Tb, expected Tb35Mg13Ni20 to be Tb17Mg11Ni8" +mp-1206554,Tb2MgNi2,-4.856028202,-0.37017108,0.0,-0.004160654,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Ni-Tb,10.0,AB2C2_tP10_127_a_g_h:Mg-Ni-Tb +mp-1229143,AgMoAsO6,-6.8835864919,-1.5483135157,0.015671336,0.015671336,GGA+U,P2_12_12_1,ABCD6_oP36_19_a_a_a_6a:Ag-As-Mo-O,36.0,ABCD6_oP36_19_a_a_a_6a:Ag-As-Mo-O +mp-1214986,Ag3Mo3AsO13,-7.0360956337,-1.5360611342,0.0072194114,0.0072194114,GGA+U,P-1,A3BC3D13_aP40_2_3i_i_3i_13i:Ag-As-Mo-O,40.0,A3BC3D13_aP40_2_3i_i_3i_13i:Ag-As-Mo-O +mp-1355420,Ag3Mo3AsO13,-5.5903183015,-0.0902838019,1.4529967437,1.4529967437,GGA+U,P-1,A3BC3D13_aP40_2_3i_i_3i_13i:Ag-As-Mo-O,40.0,A3BC3D13_aP40_2_3i_i_3i_13i:Ag-As-Mo-O +mp-1221691,MnCrInS4,-6.3432861379,-0.8986367151,0.0217256414,0.0217256414,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-In-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Cr-In-Mn-S, expected MnCrInS8 to be MnCrInS4" +mp-1079705,Ba2LuTaO6,-8.617842176,-3.6281611463,0.0,-0.0758219242,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Ta +mp-1215300,ZrMn(CuS2)2,-6.1873693425,-0.8806282513,0.1511903541,0.1511903541,GGA,Cm,A2BC4D_mC16_8_2a_a_4a_a:Cu-Mn-S-Zr,8.0,A2BC4D_mC16_8_2a_a_4a_a:Cu-Mn-S-Zr +mp-1246543,MgInMoS4,-5.5207078736,-0.9859345368,0.2205745882,0.2205745882,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:In-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:In-Mg-Mo-S, expected MgInMoS12 to be MgInMoS4" +mp-1246487,Mg2In3MoS8,-4.99930429,-1.0426714089,0.1095291254,0.1095291254,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:In-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:In-Mg-Mo-S, expected Mg2In3MoS22 to be Mg2In3MoS8" +mp-1246472,Mg2InMo3S8,-6.037917915,-0.9250041225,0.32672535,0.32672535,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:In-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:In-Mg-Mo-S, expected Mg2InMo3S16 to be Mg2InMo3S8" +mp-1044297,ZnBiMoO5,-6.848013435,-1.7630976342,0.1155052427,0.1155052427,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mo-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mo-O-Zn, expected ZnBiMoO15 to be ZnBiMoO5" +mp-1042698,ZnBiMoO5,-6.8392575608,-1.75434176,0.1242611169,0.1242611169,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mo-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mo-O-Zn, expected ZnBiMoO31 to be ZnBiMoO5" +mp-1205836,Ba2LuMoO6,-7.970521583,-3.0820533053,0.0,-0.007305668,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Lu-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Lu-Mo-O +mp-1228133,Ba3Lu2MoO9,-7.938121984,-3.2604770259,0.0,-0.0636314537,GGA+U,P-3m1,A3B2CD9_hP15_164_ad_d_b_ei:Ba-Lu-Mo-O,15.0,"Invalid WP multiplicities - A3B2CD9_hP15_164_ad_d_b_2e3i:Ba-Lu-Mo-O, expected Ba3Lu2MoO24 to be Ba3Lu2MoO9" +mp-1219816,Rb12Sn2Sb6O,-2.9154433538,-0.558002938,0.0208530776,0.0208530776,GGA,P-3m1,AB12C6D2_hP21_164_a_2i_i_d:O-Rb-Sb-Sn,21.0,AB12C6D2_hP21_164_a_2i_i_d:O-Rb-Sb-Sn +mp-505490,Rb4SnSb6,-3.3928645847,-0.4196177133,0.0,-0.0091500922,GGA,P-3,A4B6C_hP66_147_ab2d3g_6g_g:Rb-Sb-Sn,66.0,A4B6C_hP66_147_ab2d3g_6g_g:Rb-Sb-Sn +mp-1220177,NdAlNi4,-5.7417694017,-0.4693910713,0.0,-0.0404929307,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Al-Nd-Ni,6.0,ABC4_oC12_65_a_c_eh:Al-Nd-Ni +mp-1220221,NdAlNi4,-5.691990705,-0.4196123746,0.0497786967,0.009285766,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Al-Nd-Ni,6.0,ABC4_hP6_187_a_c_ek:Al-Nd-Ni +mp-1190723,Nd3AlNi8,-5.7042943283,-0.3467016977,0.0458884917,0.0458884917,GGA,P6_3/mmc,AB3C8_hP24_194_a_cf_bdk:Al-Nd-Ni,24.0,AB3C8_hP24_194_a_cf_bdk:Al-Nd-Ni +mp-1206051,NdAl2Ni,-5.095997905,-0.5861389619,0.0,-0.0282044672,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Nd-Ni,8.0,A2BC_oC16_63_f_c_c:Al-Nd-Ni +mp-975614,Nd3AlNiS7,-6.2447842412,-1.8460089183,0.0339792283,0.0339792283,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Nd-Ni-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Nd-Ni-S +mp-1069330,Nd2AlNi2,-5.405688902,-0.437260091,0.0,-0.0041849943,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Nd-Ni,5.0,AB2C2_oI10_71_a_f_h:Al-Nd-Ni +mp-1078757,NdAlNi,-5.2734028111,-0.5087828303,0.0,-0.0053543522,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Nd-Ni,9.0,ABC_hP9_189_f_g_bc:Al-Nd-Ni +mp-1102135,NdAl4Ni,-4.8006482158,-0.5455503104,0.0,-0.0172595525,GGA,Cmcm,A4BC_oC24_63_acf_c_c:Al-Nd-Ni,12.0,A4BC_oC24_63_acf_c_c:Al-Nd-Ni +mp-7186,NdAl3Ni2,-5.2047051917000005,-0.6105138112,0.0,-0.0001411717,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Al-Nd-Ni,6.0,A3BC2_hP6_191_g_a_c:Al-Nd-Ni +mp-34289,TiNbS4,-7.2165595467,-1.459460126,0.0191989975,0.0191989975,GGA,C2/m,AB4C_mC12_12_a_2i_d:Nb-S-Ti,6.0,"Invalid WP multiplicities - AB4C_mC12_12_a_3i_c:Nb-S-Ti, expected TiNbS6 to be TiNbS4" +mp-1026444,Mg14TiNb,-2.4244723337,0.100572526,0.1185237944,0.1185237944,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Ti, expected Mg18TiNb to be Mg14TiNb" +mp-1026432,Mg14TiNb,-2.3893576031,0.1356872567,0.153638525,0.153638525,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Ti, expected Mg26TiNb to be Mg14TiNb" +mp-1192454,Ti(NbS2)4,-7.787586285,-1.5266392764,0.0,-0.029838915,GGA,P6_3/mmc,A4B8C_hP26_194_bh_fk_a:Nb-S-Ti,26.0,A4B8C_hP26_194_bh_fk_a:Nb-S-Ti +mp-2227333,MgTiNbS4,-6.5980297543,-1.4347616723,0.1846331167,0.1846331167,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti +mp-2222902,MgTiNbS4,-6.69103856,-1.527770478,0.091624311,0.091624311,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti +mp-2240038,MgTiNbS4,-6.6547241857,-1.4914561037,0.1279386852,0.1279386852,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Mg-Nb-S-Ti +mp-1188929,Ti(NbS2)3,-7.8425957615,-1.5407851277,0.0,-0.0181833013,GGA,P6_322,A3B6C_hP20_182_af_i_c:Nb-S-Ti,20.0,A3B6C_hP20_182_af_i_c:Nb-S-Ti +mp-1021344,Mg6TiNb,-3.2172053812,0.2326042883,0.2479910898,0.2479910898,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Ti, expected Mg12TiNb to be Mg6TiNb" +mp-1021352,Mg6TiNb,-3.298082115,0.1517275546,0.167114356,0.167114356,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Ti, expected Mg12TiNb to be Mg6TiNb" +mp-1205551,PrSiRu2C,-8.133190052,-0.5364511805000001,0.0,-0.0750282885,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Pr-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Pr-Ru-Si +mp-1217169,Ti4CrC5,-9.342896221,-0.6050619211,0.0587728915,0.0587728915,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:C-Cr-Ti,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a2c_b_3c:C-Cr-Ti, expected Ti6CrC5 to be Ti4CrC5" +mp-1217088,TiAlCr,-7.2780040342,-0.1799655953,0.0913307592,0.0913307592,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cr-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cr-Ti, expected Ti3(AlCr)2 to be TiAlCr" +mp-1217049,TiAl2Cr3C2,-8.15122318,-0.300833546,0.0202893557,0.0202893557,GGA,P3m1,A2B2C3D_hP8_156_ab_2c_a2b_a:Al-C-Cr-Ti,8.0,A2B2C3D_hP8_156_ab_2c_a2b_a:Al-C-Cr-Ti +mp-1217087,Ti2AlCr,-7.5487356725,-0.2513338392,0.0104794519,0.0104794519,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Al-Cr-Ti,4.0,ABC2_tP4_123_a_b_h:Al-Cr-Ti +mp-999096,Ti2AlCr,-7.43044649,-0.1330446567,0.1287686344,0.1287686344,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Cr-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Cr-Ti +mp-1217102,Ti3Nb(AlC)2,-8.1290468525,-0.6620138856000001,0.0,-0.0036309082,GGA,P3m1,A2B2CD3_hP8_156_ab_2c_a_a2b:Al-C-Nb-Ti,8.0,A2B2CD3_hP8_156_ab_2c_a_a2b:Al-C-Nb-Ti +mp-1216715,TiNb3(AlC)2,-8.5835531663,-0.5650669435,0.0,-0.0077001304,GGA,P3m1,A2B2C3D_hP8_156_ab_2c_a2b_a:Al-C-Nb-Ti,8.0,A2B2C3D_hP8_156_ab_2c_a2b_a:Al-C-Nb-Ti +mp-996162,Nb2AlC,-8.7992561275,-0.5050432769000001,0.0,-0.0158304973,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-Nb,8.0,ABC2_hP8_194_c_a_f:Al-C-Nb +mp-3103,Nb4AlC3,-9.49861596,-0.5190169016,0.0068075205,0.0068075205,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-C-Nb,16.0,"Invalid WP multiplicities - AB3C4_hP16_194_c_2a2f_ef:Al-C-Nb, expected Nb4AlC6 to be Nb4AlC3" +mp-1216714,TiNbAlC,-8.34732536,-0.6045657652,0.0089746494,0.0089746494,GGA,P-3m1,ABCD_hP8_164_d_ab_d_d:Al-C-Nb-Ti,8.0,ABCD_hP8_164_d_ab_d_d:Al-C-Nb-Ti +mp-1208228,Ti3NbAl2,-7.2028826433,-0.3230605183,0.0,-0.0033233583,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Al-Nb-Ti,6.0,A2BC3_hP6_164_d_a_bd:Al-Nb-Ti +mp-1217093,Ti2NbAl,-7.6855997,-0.2761334742,0.0,-0.016744637,GGA,Cmcm,ABC2_oC16_63_c_c_g:Al-Nb-Ti,8.0,ABC2_oC16_63_c_c_g:Al-Nb-Ti +mp-1097622,Ti2NbAl,-4.0741588925,3.3353073333,3.6114408075,3.5946961705,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Nb-Ti,4.0,ABC2_oI8_71_a_b_e:Al-Nb-Ti +mp-1208235,Ti4(NbAl3)3,-6.3289359612,-0.3541818577,0.0434217581,0.0434217581,GGA,P4/mmm,A9B3C4_tP16_123_ar_ce_bdf:Al-Nb-Ti,16.0,A9B3C4_tP16_123_ar_ce_bdf:Al-Nb-Ti +mp-996161,Nb3AlC2,-9.2726576792,-0.52152069,0.0,-0.0029980758,GGA,P6_3/mmc,AB2C3_hP12_194_b_f_af:Al-C-Nb,12.0,AB2C3_hP12_194_b_f_af:Al-C-Nb +mp-1190604,Nb3Al2C,-8.2941935813,-0.4569048692,0.0,-0.0043778339,GGA,P4_132,A2BC3_cP24_213_c_a_d:Al-C-Nb,24.0,A2BC3_cP24_213_c_a_d:Al-C-Nb +mp-1219676,Rb5TiSb7O22,-6.41887489,-2.1180656698,0.0,-0.0018765802,GGA,Cc,A22B5C7D_mC140_9_22a_5a_7a_a:O-Rb-Sb-Ti,70.0,"Invalid WP multiplicities - A22B5C7D_mC140_9_32a_7a_10a_a:O-Rb-Sb-Ti, expected Rb7Ti(Sb5O16)2 to be Rb5TiSb7O22" +mp-1208594,Th(SiO)2,-7.289356354,-1.6577820075,0.963401014,0.963401014,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-Si-Th,20.0,A2B2C_tI40_141_h_h_c:O-Si-Th +mp-7651,ThSiO4,-9.229158035,-3.7915028475,0.0356769725,0.0268323817,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-Si-Th,24.0,A4BC_mP24_14_4e_e_e:O-Si-Th +mp-5836,ThSiO4,-9.2648350075,-3.82717982,0.0,-0.0088445908,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-Si-Th,12.0,A4BC_tI24_141_h_a_b:O-Si-Th +mp-1187425,ThSiO3,-8.034501764,-2.4986532812,1.1082461215,1.1082461215,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Th,5.0,A3BC_cP5_221_c_b_a:O-Si-Th +mp-1204133,Cs2Th(Si2O5)3,-8.1416689523,-3.3101313755,6.93258e-05,-0.0432467297,GGA,Pca2_1,A2B15C6D_oP96_29_2a_15a_6a_a:Cs-O-Si-Th,96.0,A2B15C6D_oP96_29_2a_15a_6a_a:Cs-O-Si-Th +mp-1195679,Cs2Th(Si2O5)3,-8.1417382781,-3.3102007013,0.0,-0.0433160555,GGA,Cmc2_1,A2B15C6D_oC96_36_2a_5a5b_2a2b_a:Cs-O-Si-Th,48.0,A2B15C6D_oC96_36_2a_5a5b_2a2b_a:Cs-O-Si-Th +mp-1110817,Rb2AgSbI6,-2.8064330980000003,-1.0301507492,0.0446159384,0.0446159384,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Sb +mp-571478,SnHg7(As2I3)2,-2.2157910319,-0.3484573581,0.0,-0.0089780609,GGA,P2_13,A4B7C6D_cP72_198_4a_a2b_2b_a:As-Hg-I-Sn,72.0,"Invalid WP multiplicities - A4B7C6D_cP72_198_13a_4a13b_15b_a:As-Hg-I-Sn, expected SnHg43As13I45 to be SnHg7(As2I3)2" +mp-1209951,NaYbCu2F8,-4.8927426225,-2.696711068,0.0,-0.107403931,GGA,I422,A2B8CD_tI24_97_d_k_a_b:Cu-F-Na-Yb,,A2B8CD_tI24_97_d_k_a_b:Cu-F-Na-Yb +mp-570158,KRb3CdCl6,-3.5335534773,-2.0729979423,0.0,-0.0073613295,GGA,R-3c,AB6CD3_hR66_167_b_f_a_e:Cd-Cl-K-Rb,22.0,AB6CD3_hR66_167_b_f_a_e:Cd-Cl-K-Rb +mp-29873,Rb2CdCl4,-3.41313492,-1.9448342707,0.0078542002,0.0078542002,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cd-Cl-Rb,7.0,AB4C2_tI14_139_a_ce_e:Cd-Cl-Rb +mp-23442,KCdCl3,-3.336589126,-1.8208093886,0.0,-0.0129187708,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cd-Cl-K,20.0,AB3C_oP20_62_c_3c_c:Cd-Cl-K +mp-644445,Rb4CdCl6,-3.3805548745,-1.9318052373,0.134694485,0.1233507223,GGA,C2/c,AB6C4_mC44_15_a_3f_2ef:Cd-Cl-Rb,22.0,"Invalid WP multiplicities - AB6C4_mC44_15_c_12f_3e3f:Cd-Cl-Rb, expected Rb9CdCl24 to be Rb4CdCl6" +mp-22930,Rb4CdCl6,-3.5152493595000003,-2.0664997223,0.0,-0.0113437627,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Cd-Cl-Rb,22.0,AB6C4_hR66_167_b_f_ae:Cd-Cl-Rb +mp-23390,RbCdCl3,-3.317302857,-1.8274960945,0.0,-0.017302364,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cd-Cl-Rb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_6c_c:Cd-Cl-Rb, expected RbCdCl6 to be RbCdCl3" +mp-23392,K4CdCl6,-3.5590205123,-2.0630472843,0.0,-0.0036425214,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Cd-Cl-K,22.0,AB6C4_hR66_167_b_f_ae:Cd-Cl-K +mp-1110991,Na2LiAuF6,-4.157964019,-2.2282910931,0.19720161,0.19720161,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Li-Na +mp-867155,Sr5Cd2Sb5F,-3.8168756746,-1.2899732166,0.0,-0.0393092665,GGA,Cmcm,A2BC5D5_oC52_63_f_c_c2f_a2cf:Cd-F-Sb-Sr,26.0,A2BC5D5_oC52_63_f_c_c2f_a2cf:Cd-F-Sb-Sr +mp-1191037,AgAs(SeF2)3,-4.3202585968000005,-1.6431419926,0.0488869713,0.0488869713,GGA,C2/m,ABC6D3_mC44_12_ad_g_3j_ij:Ag-As-F-Se,22.0,ABC6D3_mC44_12_ad_g_3j_ij:Ag-As-F-Se +mp-1110768,Rb2NaSbI6,-2.844870991,-1.2195917132,0.0522874075,0.0522874075,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Sb +mp-1112898,Cs2YHgCl6,-4.092862061,-2.1276444428,0.1019359853,0.1019359853,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Hg-Y +mp-1111203,K2RbTlBr6,-3.027168491,-1.5389539817,0.1112621957,0.1112621957,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Tl +mp-1114121,KRb2TlBr6,-3.07494284,-1.5997148181,0.0504831128,0.0504831128,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-K-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Br-K-Rb-Tl +mp-1111090,Na2AlInF6,-5.036314635,-2.9751962398,0.185399865,0.185399865,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-In-Na +mp-864999,Dy2IrRh,-7.2324111,-0.8783321675,0.0,-0.0260231172,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Rh,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Rh +mp-3183,DyBRh3,-7.471840072,-0.7960196278,0.0,-0.137719991,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Dy-Rh,5.0,ABC3_cP5_221_b_a_c:B-Dy-Rh +mp-1225314,DyB4(IrRh)2,-7.6398772256,-0.5587841119,0.0217950078,0.0217950078,GGA,P4_2mc,A4BC2D2_tP18_105_de_c_d_e:B-Dy-Ir-Rh,18.0,A4BC2D2_tP18_105_de_c_d_e:B-Dy-Ir-Rh +mp-1212866,DyB4Rh,-7.0597209817,-0.6116106828,0.0,-0.0182945936,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-Rh,24.0,A4BC_oP24_55_4h_g_g:B-Dy-Rh +mp-1025143,DyB2Rh3,-7.38044694,-0.7040312747,0.0060188599,0.0060188599,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Dy-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Dy-Rh +mp-1095029,Dy(BIr)2,-7.87116028,-0.7426725317,0.0,-0.0525844305,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Dy-Ir,10.0,A2BC2_oF40_70_e_a_f:B-Dy-Ir +mp-1213456,Dy(BIr)2,-7.5398128175,-0.4113250692,0.3313474625,0.278763032,GGA,I4_1/amd,A2BC2_tI40_141_h_c_h:B-Dy-Ir,20.0,A2BC2_tI40_141_h_c_h:B-Dy-Ir +mp-1105740,Dy(BRh)4,-7.3323804106,-0.5788709213000001,0.013317358,0.013317358,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Dy-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Dy-Rh +mp-1024993,DyB2Ir3,-8.10803146,-0.6945526397,0.0,-0.0756588633,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Dy-Ir,6.0,A2BC3_hP6_191_c_a_g:B-Dy-Ir +mp-1225334,DyB4Rh7,-7.2481470258,-0.3419379414,0.1904030315,0.1904030315,GGA,Pmmm,A4BC7_oP12_47_ij_a_dfgx:B-Dy-Rh,12.0,"Invalid WP multiplicities - A4BC7_oP12_47_2ij_a_dfgx:B-Dy-Rh, expected DyB6Rh7 to be DyB4Rh7" +mp-1225361,Dy2(B2Rh3)3,-7.4338979506,-0.6357394132,0.0,-0.0197358888,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-Dy-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-Dy-Rh +mp-989517,Cs2SBrCl6,-3.068154294,-1.2110040039,0.0619432119,0.0619432119,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-S,10.0,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-S +mp-1205540,MgRe(PbO3)2,-7.146824339,-2.0318009747,0.0383248823,0.0383248823,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-Re,10.0,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-Re +mp-1274229,Sr2CrOsO6,-7.853117916,-2.4591645086,0.034937613,-0.0023984754,GGA+U,P-1,AB6CD2_aP20_2_ah_6i_be_2i:Cr-O-Os-Sr,20.0,"Invalid WP multiplicities - AB6CD2_aP20_2_ah_12i_be_4i:Cr-O-Os-Sr, expected Sr4CrOsO12 to be Sr2CrOsO6" +mp-1078354,Sr2CrOsO6,-7.888055529,-2.4941021216,0.0,-0.0373360884,GGA+U,R-3,AB6CD2_hR30_148_a_f_b_c:Cr-O-Os-Sr,10.0,AB6CD2_hR30_148_a_f_b_c:Cr-O-Os-Sr +mp-1274754,Sr2CrOsO6,-7.6740716635,-2.2801182561,0.2139838655,0.1766477771,GGA+U,R-3m,AB6CD2_hR60_166_c_2h_ab_2c:Cr-O-Os-Sr,20.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Os-Sr +mp-1205582,Sr2CrOsO6,-7.880125525,-2.4861721176,0.007930004,-0.0294060844,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Os-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Os-Sr +mp-1223183,La4Co3ReO12,-8.264856385,-2.6211677087,0.1656482212,0.1656482212,GGA+U,P4/mmm,A3B4C12D_tP20_123_abc_i_ghjk_d:Co-La-O-Re,20.0,"Invalid WP multiplicities - A3B4C12D_tP20_123_abc_i_2g2h4j4k_d:Co-La-O-Re, expected La4Co3ReO40 to be La4Co3ReO12" +mp-698050,La5CoRe3O16,-8.8822365596,-2.9514783894,0.0355503487,0.0355503487,GGA+U,P-1,AB5C16D3_aP25_2_e_b2i_8i_ai:Co-La-O-Re,25.0,AB5C16D3_aP25_2_e_b2i_8i_ai:Co-La-O-Re +mp-1219052,SnMo12PbS16,-7.7198529247,-0.9180789875,0.0431654115,0.0431654115,GGA,P-1,A12BC16D_aP30_2_6i_a_8i_b:Mo-Pb-S-Sn,30.0,"Invalid WP multiplicities - A12BC16D_aP30_2_12i_a_15i_b:Mo-Pb-S-Sn, expected SnMo24PbS30 to be SnMo12PbS16" +mp-685779,Sn5(Mo3S4)12,-7.7573010115,-0.9141453166,0.0578995813,0.0578995813,GGA,P-1,A36B48C5_aP89_2_18i_24i_a2i:Mo-S-Sn,89.0,"Invalid WP multiplicities - A36B48C5_aP89_2_35i_47i_a2i:Mo-S-Sn, expected Sn5(Mo35S47)2 to be Sn5(Mo3S4)12" +mp-1197201,Sn2Mo15S19,-7.808279826,-0.8833786362,0.0678528003,0.0678528003,GGA,P6_3/m,A15B19C2_hP72_176_h2i_efh2i_f:Mo-S-Sn,72.0,A15B19C2_hP72_176_h2i_efh2i_f:Mo-S-Sn +mp-1179646,Sn(Mo3S4)2,-7.2154069287,-0.4037354987,0.5575089003,0.5575089003,GGA,P-1,A6B8C_aP15_2_3i_4i_a:Mo-S-Sn,15.0,"Invalid WP multiplicities - A6B8C_aP15_2_6i_7i_a:Mo-S-Sn, expected Sn(Mo6S7)2 to be Sn(Mo3S4)2" +mp-5336,Sn(Mo3S4)2,-7.7201839313,-0.9085125013,0.0527318977,0.0527318977,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Sn,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Sn +mp-754161,Rb3HoO3,-5.4103865279,-2.2155183534,0.0170354893,0.0170354893,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Ho-O-Rb,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2ij_gh2i:Ho-O-Rb, expected Rb4HoO4 to be Rb3HoO3" +mp-779144,Rb3HoO3,-5.4205650507,-2.2256968763,0.0068569664,0.0068569664,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ho-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Ho-O-Rb, expected Rb9HoO9 to be Rb3HoO3" +mp-1101428,Rb3HoO3,-5.4026325696,-2.2077643952,0.0247894475,0.0247894475,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ho-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Ho-O-Rb, expected Rb9HoO9 to be Rb3HoO3" +mp-975296,RbHoO3,-6.384995896,-2.3043940807,0.2514799379,0.2514799379,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ho-O-Rb,5.0,AB3C_cP5_221_b_c_a:Ho-O-Rb +mp-1209280,RbHo(MoO4)2,-8.0948477908,-2.5258683865,0.0260585146,-0.000410099,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Ho-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Ho-Mo-O-Rb +mp-1209629,RbHo(MoO4)2,-8.1209063054,-2.551926901,0.0,-0.0264686135,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Ho-Mo-O-Rb,48.0,AB2C8D_oP48_60_c_d_4d_c:Ho-Mo-O-Rb +mp-6978,RbHoO2,-6.9208549625,-3.0567748713,0.0,-0.0774387522,GGA,R-3m,AB2C_hR12_166_a_c_b:Ho-O-Rb,4.0,AB2C_hR12_166_a_c_b:Ho-O-Rb +mp-1044097,ZnAgBiO5,-5.1048533069,-1.0215742694,0.0988305389,0.0988305389,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Ag-Bi-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Ag-Bi-O-Zn, expected ZnAgBiO15 to be ZnAgBiO5" +mp-1042418,ZnAgBiO5,-5.0664317094,-0.9831526719,0.1372521364,0.1372521364,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Ag-Bi-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Ag-Bi-O-Zn, expected ZnAgBiO31 to be ZnAgBiO5" +mp-1221850,Mn4CoS5,-7.100541632,-0.6566788022000001,0.1322891292,0.1322891292,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Co-Mn-S,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:Co-Mn-S, expected Mn6CoS9 to be Mn4CoS5" +mp-1008876,MnCoS,-7.0229122667,-0.220651282,0.3142161133,0.3142161133,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Mn-S,3.0,ABC_cF12_216_c_a_b:Co-Mn-S +mp-1028245,Mg14MnCo,-2.2392370475,0.1779038142,0.1915150802,0.1915150802,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Mn, expected Mg18MnCo to be Mg14MnCo" +mp-1028148,Mg14MnCo,-2.2998217194,0.1173191423,0.1309304083,0.1309304083,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Mn, expected Mg26MnCo to be Mg14MnCo" +mp-1023151,Mg6MnCo,-3.0400924775,0.1939091959,0.2092699212,0.2092699212,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Mn, expected Mg12MnCo to be Mg6MnCo" +mp-1023234,Mg6MnCo,-3.0549223481,0.1790793253,0.1944400506,0.1944400506,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Mn, expected Mg12MnCo to be Mg6MnCo" +mp-1247103,Mg2MnCo3S8,-5.7073941471000005,-0.9374564534,0.0953265111,0.0953265111,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Co-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Co-Mg-Mn-S, expected Mg2MnCo3S22 to be Mg2MnCo3S8" +mp-1246501,Mg2Mn3CoS8,-6.0461749771,-0.9828519267,0.0973772869,0.0973772869,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Co-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Co-Mg-Mn-S, expected Mg2Mn3CoS16 to be Mg2Mn3CoS8" +mp-1247181,MgMnCoS4,-5.8766749186,-0.9600445465,0.1059278343,0.1059278343,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_e_i_ad_4i3j:Co-Mg-Mn-S, expected MgMnCoS10 to be MgMnCoS4" +mp-1224315,InGaCoS4,-4.9509915471,-0.7461491164,0.118191321,0.118191321,GGA,P3m1,ABCD4_hP7_156_c_a_b_2a2b:Co-Ga-In-S,7.0,ABCD4_hP7_156_c_a_b_2a2b:Co-Ga-In-S +mp-1229145,Ag6SbAsS6,-3.9421723957,-0.3277327624,0.004927205,0.004927205,GGA,R3,A6BC6D_hR42_146_2b_a_2b_a:Ag-As-S-Sb,14.0,A6BC6D_hR42_146_2b_a_2b_a:Ag-As-S-Sb +mp-1229180,Ag8Sb5As3S16,-4.2550080509,-0.3966953224,0.0154937557,0.0154937557,GGA,P1,A8B3C16D5_aP32_1_8a_3a_16a_5a:Ag-As-S-Sb,32.0,A8B3C16D5_aP32_1_8a_3a_16a_5a:Ag-As-S-Sb +mp-1112103,Cs2YTlCl6,-4.488998135,-2.3178842386,0.0064362223,0.0064362223,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Tl-Y +mp-13351,RbUAgSe3,-5.5271983825,-1.2618259627,0.0,-0.1419690676,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Rb-Se-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Ag-Rb-Se-U, expected RbUAgSe5 to be RbUAgSe3" +mp-1120818,NaNi2BiO6,-5.760526813,-1.1201848079,0.1660239444,0.1660239444,GGA+U,R3,ABC2D6_hR30_146_a_a_2a_2b:Bi-Na-Ni-O,10.0,ABC2D6_hR30_146_a_a_2a_2b:Bi-Na-Ni-O +mp-22271,Cu(AsO2)2,-6.1526383075,-1.4091814039,0.0245474264,0.0245474264,GGA,P4_2/mbc,A2BC4_tP28_135_h_d_gh:As-Cu-O,28.0,A2BC4_tP28_135_h_d_gh:As-Cu-O +mp-1198036,Cu2AsO5,-5.9264002859,-1.2275283733,0.0,-0.0242910034,GGA,P2_1/c,AB2C5_mP32_14_e_2e_5e:As-Cu-O,32.0,AB2C5_mP32_14_e_2e_5e:As-Cu-O +mp-1197751,Cu2AsO5,-5.9239293813,-1.2250574686,0.0024709047,-0.0218200987,GGA,Pnnm,AB2C5_oP32_58_g_eg_3gh:As-Cu-O,32.0,AB2C5_oP32_58_g_eg_3gh:As-Cu-O +mp-1102432,Cu3AsO7,-5.7209885400000005,-1.0315740497,0.0506948547,0.0506948547,GGA,P1,AB3C7_aP11_1_a_3a_7a:As-Cu-O,11.0,AB3C7_aP11_1_a_3a_7a:As-Cu-O +mp-1202851,Cu3AsO7,-5.6597950205,-0.9703805301,0.1118883742,0.1118883742,GGA,P2_1/c,AB3C7_mP44_14_e_3e_7e:As-Cu-O,44.0,AB3C7_mP44_14_e_3e_7e:As-Cu-O +mp-13128,Cu2As2O7,-6.0901494873,-1.3498339301,0.0136687101,0.0136687101,GGA,C2/m,A2B2C7_mC22_12_i_h_aij:As-Cu-O,11.0,A2B2C7_mC22_12_i_h_aij:As-Cu-O +mp-554298,Cu2As2O7,-6.0996156714,-1.3593001142,0.004202526,0.004202526,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:As-Cu-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_2e9f:As-Cu-O, expected CuAsO10 to be Cu2As2O7" +mp-1005792,Sm2CuAs3O,-6.1939784039,-1.5567751373,0.0,-0.0523637279,GGA,Pnma,A3BCD2_oP28_62_3c_c_c_2c:As-Cu-O-Sm,28.0,A3BCD2_oP28_62_3c_c_c_2c:As-Cu-O-Sm +mp-559159,Cu4As2O9,-5.924048392,-1.2416975993,0.0196039227,0.0196039227,GGA,P-1,A2B4C9_aP30_2_2i_4i_9i:As-Cu-O,30.0,"Invalid WP multiplicities - A2B4C9_aP30_2_4i_8i_16i:As-Cu-O, expected Cu2AsO4 to be Cu4As2O9" +mp-21770,Cu4As2O9,-5.932585472,-1.2502346793,0.0110668427,0.0110668427,GGA,Pnma,A2B4C9_oP60_62_2c_2cd_5c2d:As-Cu-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_62_2c_2cd_6c4d:As-Cu-O, expected Cu2AsO7 to be Cu4As2O9" +mp-1225889,Cu2AsO6,-5.4502065633,-0.7237994508000001,0.367336881,0.367336881,GGA,Pmm2,AB2C6_oP9_25_b_e_ac2f:As-Cu-O,9.0,"Invalid WP multiplicities - AB2C6_oP9_25_b_e_ac4f:As-Cu-O, expected Cu2AsO10 to be Cu2AsO6" +mp-21209,Cu3(AsO4)2,-6.0170790123,-1.3102046654,0.0,-0.0138269175,GGA,P-1,A2B3C8_aP13_2_i_ai_4i:As-Cu-O,13.0,"Invalid WP multiplicities - A2B3C8_aP13_2_i_ai_5i:As-Cu-O, expected Cu3(AsO5)2 to be Cu3(AsO4)2" +mp-554614,Cu3(AsO4)2,-6.0146552858,-1.3077809388,0.0024237265,-0.011403191,GGA,P2_1/c,A2B3C8_mP26_14_e_ae_4e:As-Cu-O,26.0,"Invalid WP multiplicities - A2B3C8_mP26_14_e_2a3e_14e:As-Cu-O, expected Cu4AsO14 to be Cu3(AsO4)2" +mp-540858,Cu3(AsO4)2,-6.0132771156,-1.3064027687,0.0038018967,-0.0100250208,GGA,P2_1/c,A2B3C8_mP52_14_2e_3e_8e:As-Cu-O,52.0,A2B3C8_mP52_14_2e_3e_8e:As-Cu-O +mp-1105463,Cu5(AsO5)2,-5.8698976888,-1.2063002022,0.0176047982,0.0176047982,GGA,P-1,A2B5C10_aP17_2_i_a2i_5i:As-Cu-O,17.0,A2B5C10_aP17_2_i_a2i_5i:As-Cu-O +mp-1204375,Cu2AsO8,-5.0892205382,-0.3227622259,0.5699856819,0.5699856819,GGA,P2_12_12_1,AB2C8_oP44_19_a_2a_8a:As-Cu-O,44.0,AB2C8_oP44_19_a_2a_8a:As-Cu-O +mp-1188383,Cu5(AsO6)2,-5.8234457832,-1.1300492203,0.0133815657,0.0133815657,GGA,P-1,A2B5C12_aP19_2_i_a2i_6i:As-Cu-O,19.0,A2B5C12_aP19_2_i_a2i_6i:As-Cu-O +mp-1178368,CuAsO3,-5.997871351,-1.2781931092,0.0752450139,0.0752450139,GGA,Pmma,ABC3_oP10_51_e_b_fi:As-Cu-O,10.0,"Invalid WP multiplicities - ABC3_oP10_51_e_b_2fi:As-Cu-O, expected CuAsO4 to be CuAsO3" +mp-776320,CuAsO3,-5.981437807,-1.2617595652,0.0916785579,0.0916785579,GGA,R-3,ABC3_hR30_148_c_c_f:As-Cu-O,10.0,ABC3_hR30_148_c_c_f:As-Cu-O +mp-1191432,Ce3AlCdS7,-6.1315842829000005,-1.846344106,0.0486568002,0.0486568002,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-Ce-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Cd-Ce-S +mp-34145,Ce2CdS4,-5.9961718079,-1.8054764454,0.1102385286,0.1102385286,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Ce-S,14.0,AB2C4_tI28_122_a_d_e:Cd-Ce-S +mp-556975,Nd3CuSiS7,-6.2415197254,-1.8428433866,0.0,-0.0545891522,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Nd-S-Si,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_2b9c_b:Cu-Nd-S-Si, expected Nd3CuSiS29 to be Nd3CuSiS7" +mp-1224439,Ho2Ti12(CuO4)9,-8.1255766895,-2.7207567645,0.0554787817,0.0554787817,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Ho-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f3g_d_32g_ad3e4g:Cu-Ho-O-Ti, expected Ho2Ti36(Cu9O64)3 to be Ho2Ti12(CuO4)9" +mp-1224098,Ho2TiCuO6,-8.215988198,-3.1320233286,0.172760634,0.172760634,GGA,P-6m2,AB2C6D_hP10_187_c_g_abhi_f:Cu-Ho-O-Ti,10.0,"Invalid WP multiplicities - AB2C6D_hP10_187_c_g_ab2h2i_f:Cu-Ho-O-Ti, expected Ho2TiCuO10 to be Ho2TiCuO6" +mp-504649,RbCr2FeO8,-7.4902666002,-1.7960866075,0.0,-0.0166890036,GGA+U,Pnma,A2BC8D_oP48_62_2c_c_4c2d_c:Cr-Fe-O-Rb,48.0,A2BC8D_oP48_62_2c_c_4c2d_c:Cr-Fe-O-Rb +mp-1215558,ZnAg2GeS4,-4.1443952962,-0.6326849289,0.0,-0.0137057724,GGA,I-4,A2BC4D_tI16_82_ac_b_g_d:Ag-Ge-S-Zn,8.0,A2BC4D_tI16_82_ac_b_g_d:Ag-Ge-S-Zn +mp-685369,Ti3Fe7O15,-8.5511685082,-2.2640903007,0.0573372924,0.0573372924,GGA+U,P1,A7B15C3_aP50_1_14a_30a_6a:Fe-O-Ti,50.0,A7B15C3_aP50_1_14a_30a_6a:Fe-O-Ti +mp-675392,Ti3Fe7O15,-8.554367450600001,-2.267289243,0.05413835,0.05413835,GGA+U,P1,A7B15C3_aP50_1_14a_30a_6a:Fe-O-Ti,50.0,A7B15C3_aP50_1_14a_30a_6a:Fe-O-Ti +mp-34287,Ti3Fe7O15,-8.5565381306,-2.269459923,0.05196767,0.05196767,GGA+U,Cc,A7B15C3_mC100_9_7a_15a_3a:Fe-O-Ti,50.0,A7B15C3_mC100_9_14a_30a_6a:Fe-O-Ti +mp-27884,Ti3Fe3O,-6.8003920993,0.9200690995,1.9927835093,1.9927835093,GGA+U,Fd-3m,A3BC3_cF112_227_ce_d_f:Fe-O-Ti,28.0,A3BC3_cF112_227_ce_d_f:Fe-O-Ti +mp-674464,Ti2Fe4O9,-8.608140664,-2.3287228457,0.06087951,0.06087951,GGA+U,P1,A4B9C2_aP30_1_8a_18a_4a:Fe-O-Ti,30.0,A4B9C2_aP30_1_8a_18a_4a:Fe-O-Ti +mp-757485,Ti2Fe4O9,-8.6197608483,-2.34034303,0.0492593257,0.0492593257,GGA+U,P-1,A4B9C2_aP30_2_4i_9i_2i:Fe-O-Ti,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_7i_17i_3i:Fe-O-Ti, expected Ti3Fe7O17 to be Ti2Fe4O9" +mp-765583,Ti2Fe4O9,-8.6219392783,-2.34252146,0.0470808957,0.0470808957,GGA+U,Cc,A4B9C2_mC60_9_4a_9a_2a:Fe-O-Ti,30.0,"Invalid WP multiplicities - A4B9C2_mC60_9_8a_16a_2a:Fe-O-Ti, expected Ti(FeO2)4 to be Ti2Fe4O9" +mp-685183,Ti9Fe11O30,-8.5143590446,-2.2617525887,0.3664614363,0.3664614363,GGA+U,P1,A11B30C9_aP50_1_11a_30a_9a:Fe-O-Ti,50.0,A11B30C9_aP50_1_11a_30a_9a:Fe-O-Ti +mp-757488,Ti9Fe11O30,-8.5592251792,-2.3066187233,0.3215953017,0.3215953017,GGA+U,P1,A11B30C9_aP50_1_11a_30a_9a:Fe-O-Ti,50.0,A11B30C9_aP50_1_11a_30a_9a:Fe-O-Ti +mp-555502,Pr5Ti4FeO17,-9.0227206626,-3.5393789536,0.0049251957,0.0049251957,GGA+U,P2_1/c,AB17C5D4_mP108_14_ab_17e_5e_4e:Fe-O-Pr-Ti,108.0,"Invalid WP multiplicities - AB17C5D4_mP108_14_2a2b_62e_16e_15e:Fe-O-Pr-Ti, expected Pr16Ti15(FeO31)2 to be Pr5Ti4FeO17" +mp-1101128,Ti2FeO5,-9.1281694992,-3.0038633993,0.017730967,0.0161165502,GGA+U,P-1,AB5C2_aP64_2_4i_20i_8i:Fe-O-Ti,64.0,AB5C2_aP64_2_8i_40i_16i:Fe-O-Ti +mp-1101126,Ti2FeO5,-9.138108194,-3.013802094,0.0077922723,0.0061778554,GGA+U,P2_1,AB5C2_mP48_4_3a_15a_6a:Fe-O-Ti,48.0,"Invalid WP multiplicities - AB5C2_mP48_4_4a_30a_11a:Fe-O-Ti, expected Ti11(Fe2O15)2 to be Ti2FeO5" +mp-28231,Ti2FeO5,-9.1459004662,-3.0215943663,0.0,-0.0016144169,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Fe-O-Ti,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_c3f_f:Fe-O-Ti, expected Ti2FeO7 to be Ti2FeO5" +mp-757103,Ti7(Fe3O8)3,-8.4869027125,-2.2314236106,0.3712248784,0.3712248784,GGA+U,P1,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti,40.0,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti +mp-677097,Ti7(Fe3O8)3,-8.8292400308,-2.5737609288,0.0288875601,0.0288875601,GGA+U,P1,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti,40.0,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti +mp-1101106,Ti7(Fe3O8)3,-8.8356633867,-2.5801842848,0.0224642041,0.0224642041,GGA+U,P1,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti,40.0,A9B24C7_aP40_1_9a_24a_7a:Fe-O-Ti +mp-757016,Ti5Fe7O18,-8.7949156563,-2.5346488111000003,0.0253904512,0.0253904512,GGA+U,P1,A7B18C5_aP30_1_7a_18a_5a:Fe-O-Ti,30.0,A7B18C5_aP30_1_7a_18a_5a:Fe-O-Ti +mp-675499,Ti5Fe7O18,-8.4825177373,-2.2222508921,0.3377883702,0.3377883702,GGA+U,P1,A7B18C5_aP30_1_7a_18a_5a:Fe-O-Ti,30.0,A7B18C5_aP30_1_7a_18a_5a:Fe-O-Ti +mp-532110,Ti5Fe7O18,-8.4419212493,-2.1816544041,0.3783848582,0.3783848582,GGA+U,P1,A7B18C5_aP60_1_14a_36a_10a:Fe-O-Ti,60.0,A7B18C5_aP60_1_14a_36a_10a:Fe-O-Ti +mp-530384,Ti5Fe7O18,-8.7386012757,-2.4783344305,0.0817048318,0.0817048318,GGA+U,P-1,A7B18C5_aP60_2_7i_18i_5i:Fe-O-Ti,60.0,"Invalid WP multiplicities - A7B18C5_aP60_2_12i_36i_10i:Fe-O-Ti, expected Ti5(FeO3)6 to be Ti5Fe7O18" +mp-685232,Ti8Fe35O64,-7.195870707,-0.8762187817,1.2098729931,1.2098729931,GGA+U,P1,A35B64C8_aP107_1_35a_64a_8a:Fe-O-Ti,107.0,A35B64C8_aP107_1_35a_64a_8a:Fe-O-Ti +mp-685351,Ti4(Fe2O5)3,-8.7375303488,-2.473433309,0.052518572,0.052518572,GGA+U,P1,A6B15C4_aP50_1_12a_30a_8a:Fe-O-Ti,50.0,A6B15C4_aP50_1_12a_30a_8a:Fe-O-Ti +mp-759740,Ti4(Fe2O5)3,-8.7618232888,-2.497726249,0.028225632,0.028225632,GGA+U,P-1,A6B15C4_aP50_2_6i_15i_4i:Fe-O-Ti,50.0,"Invalid WP multiplicities - A6B15C4_aP50_2_12i_28i_7i:Fe-O-Ti, expected Ti7(Fe3O7)4 to be Ti4(Fe2O5)3" +mp-530601,TiFe5O8,-8.3619194764,-1.9462689224,0.0636011714,0.0636011714,GGA+U,P-1,A5B8C_aP70_2_abc11i_20i_e2i:Fe-O-Ti,70.0,"Invalid WP multiplicities - A5B8C_aP70_2_abc22i_40i_e3i:Fe-O-Ti, expected Ti7Fe47O80 to be TiFe5O8" +mp-1216930,TiFe5O8,-8.3788941393,-1.9632435852,0.0466265086,0.0466265086,GGA+U,R-3m,A5B8C_hR42_166_cd_ch_a:Fe-O-Ti,14.0,"Invalid WP multiplicities - A5B8C_hR42_166_cd_2c2h_a:Fe-O-Ti, expected TiFe5O16 to be TiFe5O8" +mp-1279759,TiFeO4,-8.3800369171,-2.3546589051,0.1081903572,0.1081903572,GGA+U,P1,AB4C_aP24_1_4a_16a_4a:Fe-O-Ti,24.0,AB4C_aP24_1_4a_16a_4a:Fe-O-Ti +mp-1274918,TiFeO4,-8.3835597112,-2.3581816993,0.104667563,0.104667563,GGA+U,Cm,AB4C_mC24_8_2a_8a_2a:Fe-O-Ti,24.0,AB4C_tI12_119_a_ef_c:Fe-O-Ti +mp-1284893,TiFeO4,-8.3826324342,-2.3572544222,0.1055948401,0.1055948401,GGA+U,C222_1,AB4C_oC24_20_b_2ac_a:Fe-O-Ti,24.0,AB4C_tI12_119_a_ef_c:Fe-O-Ti +mp-1278941,TiFeO4,-8.3744284,-2.3490503881,0.1137988743,0.1137988743,GGA+U,C222,AB4C_oC24_21_ac_efl_k:Fe-O-Ti,12.0,"Invalid WP multiplicities - AB4C_oC24_21_ac_2efl_k:Fe-O-Ti, expected TiFeO5 to be TiFeO4" +mp-1290888,TiFeO4,-8.3703667537,-2.3449887418,0.1178605205,0.1178605205,GGA+U,Pmn2_1,AB4C_oP24_31_2a_8a_2a:Fe-O-Ti,24.0,"Invalid WP multiplicities - AB4C_oP24_31_2a_11a_3a:Fe-O-Ti, expected Ti3Fe2O11 to be TiFeO4" +mp-754900,TiFeO4,-8.3840196008,-2.3586415889,0.1042076734,0.1042076734,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Fe-O-Ti,12.0,AB4C_tI12_119_a_ef_c:Fe-O-Ti +mp-674351,Ti5Fe11O24,-8.567479007,-2.2832734454,0.0637196836,0.0637196836,GGA+U,P1,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti,40.0,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti +mp-698627,Ti5Fe11O24,-8.575859392,-2.2916538304,0.0553392986,0.0553392986,GGA+U,P1,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti,40.0,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti +mp-757370,Ti5Fe11O24,-8.3529154548,-2.0687098932,0.2782832359,0.2782832359,GGA+U,P1,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti,40.0,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti +mp-694952,Ti5Fe11O24,-8.5865575598,-2.3023519982,0.0446411309,0.0446411309,GGA+U,P1,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti,40.0,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti +mp-861170,Ti5Fe11O24,-8.5846339578,-2.3004283962,0.0465647329,0.0465647329,GGA+U,P1,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti,40.0,A11B24C5_aP40_1_11a_24a_5a:Fe-O-Ti +mp-769418,Ti6Fe8O21,-8.8122563016,-2.5547253097,0.0296620821,0.0296620821,GGA+U,P-1,A8B21C6_aP70_2_8i_21i_6i:Fe-O-Ti,70.0,"Invalid WP multiplicities - A8B21C6_aP70_2_15i_40i_11i:Fe-O-Ti, expected Ti11(Fe3O8)5 to be Ti6Fe8O21" +mp-1217466,Ti6FeO16,-8.4929766287,-2.6238465117,0.3028660677,0.3028660677,GGA+U,P1,AB16C6_aP23_1_a_16a_6a:Fe-O-Ti,23.0,AB16C6_aP23_1_a_16a_6a:Fe-O-Ti +mp-757435,Ti11Fe17O42,-8.737957713,-2.4722191612,0.0391238421,0.0391238421,GGA+U,P1,A17B42C11_aP70_1_17a_42a_11a:Fe-O-Ti,70.0,A17B42C11_aP70_1_17a_42a_11a:Fe-O-Ti +mp-530877,Ti3Fe9O16,-8.5583287796,-2.1631971254,0.0286444868,0.0286444868,GGA+U,P-1,A9B16C3_aP56_2_abdh7i_16i_cf2i:Fe-O-Ti,56.0,"Invalid WP multiplicities - A9B16C3_aP56_2_abdh14i_30i_cf4i:Fe-O-Ti, expected Ti5(Fe8O15)2 to be Ti3Fe9O16" +mp-531643,Ti3Fe9O16,-8.5188846812,-2.123753027,0.0680885852,0.0680885852,GGA+U,P-1,A9B16C3_aP56_2_abce7i_16i_dh2i:Fe-O-Ti,56.0,"Invalid WP multiplicities - A9B16C3_aP56_2_abce14i_30i_dh4i:Fe-O-Ti, expected Ti5(Fe8O15)2 to be Ti3Fe9O16" +mp-760003,Ti3Fe9O16,-8.5566560388,-2.1615243845,0.0303172277,0.0303172277,GGA+U,Pnnm,A9B16C3_oP56_58_a2gh_4g2h_cg:Fe-O-Ti,56.0,"Invalid WP multiplicities - A9B16C3_oP56_58_2a8g2h_16g8h_2c3g:Fe-O-Ti, expected Ti4Fe13O32 to be Ti3Fe9O16" +mp-698576,Ti3Fe5O12,-8.704394583500001,-2.4345522518,0.0402685573,0.0402685573,GGA+U,P1,A5B12C3_aP40_1_10a_24a_6a:Fe-O-Ti,40.0,A5B12C3_aP40_1_10a_24a_6a:Fe-O-Ti +mp-675087,Ti3Fe5O12,-8.6987232085,-2.4288808768,0.0459399323,0.0459399323,GGA+U,P1,A5B12C3_aP20_1_5a_12a_3a:Fe-O-Ti,20.0,A5B12C3_aP20_1_5a_12a_3a:Fe-O-Ti +mp-685374,Ti3Fe5O12,-8.6253247615,-2.3554824298,0.1193383793,0.1193383793,GGA+U,P-1,A5B12C3_aP40_2_5i_12i_3i:Fe-O-Ti,40.0,"Invalid WP multiplicities - A5B12C3_aP40_2_9i_23i_5i:Fe-O-Ti, expected Ti5Fe9O23 to be Ti3Fe5O12" +mp-1103361,Ti3FeO7,-8.9890375636,-2.9178268147,0.2349198836,0.2349198836,GGA+U,Imm2,AB7C3_oI22_44_a_a3c_bc:Fe-O-Ti,11.0,AB7C3_oI22_44_a_a3c_bc:Fe-O-Ti +mp-757320,Ti13(Fe5O14)3,-8.536760613,-2.287437181,0.3699945994,0.3699945994,GGA+U,P1,A15B42C13_aP70_1_15a_42a_13a:Fe-O-Ti,70.0,A15B42C13_aP70_1_15a_42a_13a:Fe-O-Ti +mp-1101048,TiFe2O5,-8.533346377800001,-2.3372241287,0.0436174209,0.0436174209,GGA+U,P1,A2B5C_aP32_1_8a_20a_4a:Fe-O-Ti,32.0,A2B5C_aP32_1_8a_20a_4a:Fe-O-Ti +mp-559280,TiFe2O5,-8.5224797675,-2.3263575184,0.0544840313,0.0544840313,GGA+U,C2/m,A2B5C_mC64_12_4i_10i_2i:Fe-O-Ti,32.0,"Invalid WP multiplicities - A2B5C_mC64_12_8i_19i_3i:Fe-O-Ti, expected Ti3Fe8O19 to be TiFe2O5" +mp-19255,TiFe2O5,-8.5063506094,-2.3102283603,0.0706131894,0.0706131894,GGA+U,C2/c,A2B5C_mC32_15_f_e2f_a:Fe-O-Ti,16.0,A2B5C_mC32_15_f_e2f_c:Fe-O-Ti +mp-753157,TiFe2O5,-8.5527025256,-2.3565802765,0.0242612731,0.0242612731,GGA+U,Cmc2_1,A2B5C_oC32_36_2a_5a_a:Fe-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_36_3a_9a_a:Fe-O-Ti, expected Ti(FeO3)3 to be TiFe2O5" +mp-20117,TiFe2O5,-8.5365870244,-2.3404647753,0.0403767744,0.0403767744,GGA+U,Cmcm,A2B5C_oC32_63_f_c2f_c:Fe-O-Ti,16.0,"Invalid WP multiplicities - A2B5C_oC32_63_f_c3f_c:Fe-O-Ti, expected TiFe2O7 to be TiFe2O5" +mp-530435,Ti11Fe13O36,-8.5128268532,-2.2621354945,0.3831222211,0.3831222211,GGA+U,P1,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti,60.0,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti +mp-530780,Ti11Fe13O36,-8.5964154048,-2.3457240462,0.2995336694,0.2995336694,GGA+U,P1,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti,60.0,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti +mp-531901,Ti11Fe13O36,-8.8755043732,-2.6248130145,0.0204447011,0.0204447011,GGA+U,P1,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti,60.0,A13B36C11_aP60_1_13a_36a_11a:Fe-O-Ti +mp-694948,TiFeO3,-8.6909247847,-2.4498089127,0.2806672563,0.2667624261,GGA+U,P1,AB3C_aP80_1_16a_48a_16a:Fe-O-Ti,80.0,AB3C_aP80_1_16a_48a_16a:Fe-O-Ti +mp-19074,TiFeO3,-8.848473615,-2.6073577429,0.123118426,0.1092135958,GGA+U,Cmcm,AB3C_oC20_63_c_cf_a:Fe-O-Ti,10.0,"Invalid WP multiplicities - AB3C_oC20_63_c_2c2f_a:Fe-O-Ti, expected TiFeO6 to be TiFeO3" +mp-1179354,TiFeO3,-8.896343262,-2.6552273899000003,0.075248779,0.0613439488,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Fe-O-Ti,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Fe-O-Ti, expected TiFeO6 to be TiFeO3" +mp-1277107,TiFeO3,-8.971592041000001,-2.7304761689,0.0,-0.0139048302,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Fe-O-Ti,20.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Fe-O-Ti, expected TiFeO6 to be TiFeO3" +mp-20073,TiFeO3,-8.899765688,-2.6586498159,0.071826353,0.0579215228,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Fe-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Fe-O-Ti +mp-19417,TiFeO3,-8.959550826000001,-2.7184349539,0.012041215,-0.0018636152,GGA+U,R-3,AB3C_hR30_148_c_f_c:Fe-O-Ti,20.0,AB3C_hR30_148_c_f_c:Fe-O-Ti +mp-19270,TiFeO3,-8.939818291,-2.6987024189,0.03177375,0.0178689198,GGA+U,R3c,AB3C_hR30_161_a_b_a:Fe-O-Ti,10.0,AB3C_hR30_161_a_b_a:Fe-O-Ti +mp-35482,Ti(FeO2)4,-8.1623646277,-1.9047425856,0.2172578792,0.2172578792,GGA+U,C2/m,A4B8C_mC26_12_ei_2ij_a:Fe-O-Ti,13.0,"Invalid WP multiplicities - A4B8C_mC26_12_f2i_3i2j_a:Fe-O-Ti, expected Ti(Fe3O7)2 to be Ti(FeO2)4" +mp-1217190,Ti4Fe2O,-8.0333318079,-0.3949462082,0.7180937779000001,0.7180937779000001,GGA+U,F-43m,A2BC4_cF112_216_2e_e_efg:Fe-O-Ti,28.0,A2BC4_cF112_216_2e_e_efg:Fe-O-Ti +mp-505361,Ti4Fe2O,-8.0217427343,-0.3833571346,0.7296828514,0.7296828514,GGA+U,Fd-3m,A2BC4_cF112_227_e_c_df:Fe-O-Ti,28.0,A2BC4_cF112_227_e_c_df:Fe-O-Ti +mp-673704,Ti7Fe13O30,-8.1712613268,-1.8956737031,0.5280160339000001,0.5280160339000001,GGA+U,P1,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti,50.0,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti +mp-685365,Ti7Fe13O30,-8.629299651,-2.3537120273,0.0699777097,0.0699777097,GGA+U,P1,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti,50.0,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti +mp-1101107,Ti7Fe13O30,-8.6464298062,-2.3708421825,0.0528475545,0.0528475545,GGA+U,P1,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti,50.0,A13B30C7_aP50_1_13a_30a_7a:Fe-O-Ti +mp-1337025,Ti4(FeO4)3,-8.7829943679,-2.6591893031,0.1685447011,0.1685447011,GGA+U,Im-3,A3B12C4_cI38_204_b_g_c:Fe-O-Ti,19.0,A3B12C4_cI38_204_b_g_c:Fe-O-Ti +mp-1217597,Ti(FeO2)3,-8.397065016,-2.0984962246,0.1206692245,0.1206692245,GGA+U,P1,A3B6C_aP40_1_12a_24a_4a:Fe-O-Ti,40.0,A3B6C_aP40_1_12a_24a_4a:Fe-O-Ti +mp-1217316,Ti(FeO2)3,-8.455794905,-2.1572261136,0.0619393355,0.0619393355,GGA+U,R3,A3B6C_hR30_146_3a_2b_a:Fe-O-Ti,10.0,A3B6C_hR30_146_3a_2b_a:Fe-O-Ti +mp-674221,Ti(FeO2)3,-8.4303327026,-2.1317639112,0.0874015379,0.0874015379,GGA+U,R3,A3B6C_hR150_146_15a_10b_5a:Fe-O-Ti,50.0,"Invalid WP multiplicities - A3B6C_hR150_146_15a_16b_5a:Fe-O-Ti, expected Ti5(Fe5O16)3 to be Ti(FeO2)3" +mp-531066,TiFe11O16,-8.1795429682,-1.7433735144,0.0845250611,0.0845250611,GGA+U,P1,A11B16C_aP84_1_33a_48a_3a:Fe-O-Ti,84.0,A11B16C_aP84_1_33a_48a_3a:Fe-O-Ti +mp-759782,TiFe11O16,-8.2055593839,-1.7693899301,0.0585086454,0.0585086454,GGA+U,Pnnm,A11B16C_oP56_58_a3gh_4g2h_c:Fe-O-Ti,56.0,"Invalid WP multiplicities - A11B16C_oP56_58_2a10g2h_16g8h_c:Fe-O-Ti, expected Ti(Fe15O32)2 to be TiFe11O16" +mp-531655,Ti(FeO2)2,-8.7261499505,-2.351537196,0.0222759345,0.0222759345,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Fe-O-Ti,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a7b_16a16b_8a:Fe-O-Ti, expected Ti4Fe11O24 to be Ti(FeO2)2" +mp-780585,Ti(FeO2)2,-8.7425863475,-2.367973593,0.0058395375,0.0058395375,GGA+U,C2/c,A2B4C_mC56_15_acf_4f_be:Fe-O-Ti,28.0,"Invalid WP multiplicities - A2B4C_mC56_15_2a2c2f_4f_de:Fe-O-Ti, expected Ti(FeO)4 to be Ti(FeO2)2" +mp-1217399,Ti(FeO2)2,-8.6764029171,-2.3017901626,0.0720229679,0.0720229679,GGA+U,Cmc2_1,A2B4C_oC28_36_2a_4a_a:Fe-O-Ti,14.0,"Invalid WP multiplicities - A2B4C_oC28_36_4a_4a_a:Fe-O-Ti, expected Ti(FeO)4 to be Ti(FeO2)2" +mp-1193065,Ti(FeO2)2,-8.5822734511,-2.2076606965,0.1661524339,0.1661524339,GGA+U,Pmma,A2B4C_oP28_51_efi_adefij_j:Fe-O-Ti,28.0,A2B4C_oP28_51_efi_adefij_j:Fe-O-Ti +mp-33684,Ti(FeO2)2,-8.7279296621,-2.3533169076,0.0204962229,0.0204962229,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Fe-O-Ti,14.0,"Invalid WP multiplicities - A2B4C_mC28_15_2c2e_2f_a:Fe-O-Ti, expected Ti(FeO)4 to be Ti(FeO2)2" +mp-1219767,PrTiFe11,-8.1655425715,-0.0234940268,0.0419025665,0.0419025665,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-Pr-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-Pr-Ti +mp-773026,Ti12Fe5O32,-8.9291214569,-2.9007531098,0.1081793213,0.1081793213,GGA+U,R3,A5B32C12_hR147_146_2ab_2a10b_4b:Fe-O-Ti,49.0,"Invalid WP multiplicities - A5B32C12_hR147_146_2a2b_2a28b_10b:Fe-O-Ti, expected Ti15Fe4O43 to be Ti12Fe5O32" +mp-1112483,Cs2TaTlF6,-5.487304745,-2.7392948124,0.1131277899,0.1131277899,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ta-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ta-Tl +mp-1216839,TlCrNiF6,-5.8599391167,-2.6083056609,0.0,-0.0260360215,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Cr-F-Ni-Tl,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Cr-F-Ni-Tl, expected TlCrNiF12 to be TlCrNiF6" +mp-1179521,Ta6Cd(Br8O9)2,-5.1418782546,-0.6063073858,1.2257580509,1.2257580509,GGA,Fd-3m,A16BC18D6_cF328_227_eg_a_fg_f:Br-Cd-O-Ta,82.0,A16BC18D6_cF328_227_eg_a_fg_f:Br-Cd-O-Ta +mp-1112406,Rb2CoHgF6,-4.362685143,-2.278491132,0.1515758935,0.1515758935,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Rb +mp-1111797,Rb2AlAuI6,-2.808435218,-1.0263628105,0.1223784045,0.1223784045,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-I-Rb +mp-1194900,K8NbSnAs5,-3.5688116985,-0.4828343321,0.0,-0.0240438249,GGA,C2/c,A5B8CD_mC120_15_5f_8f_f_f:As-K-Nb-Sn,60.0,A5B8CD_mC120_15_5f_8f_f_f:As-K-Nb-Sn +mp-1113101,Cs2AlHgF6,-4.701965115,-2.9710716406,0.0984853755,0.0984853755,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Hg,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-Hg +mp-1235721,LiRuPbO3,-6.0396557467,-1.0836493116,0.5222834424,0.5222834424,GGA,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Li-O-Pb-Ru,6.0,AB3CD_tP6_123_b_ce_a_d:Li-O-Pb-Ru +mp-1236510,LiRuPbO3,-6.18330461,-1.2272981749,0.3786345791,0.3786345791,GGA,R3m,AB3CD_hR18_160_a_b_a_a:Li-O-Pb-Ru,6.0,AB3CD_hR18_160_a_b_a_a:Li-O-Pb-Ru +mp-974337,RuPbO3,-6.871376838,-1.3059536893,0.1759832162,0.1759832162,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-Ru,5.0,A3BC_cP5_221_c_a_b:O-Pb-Ru +mp-674149,Ru4Pb4O13,-7.05376283,-1.5178032259,0.0,-0.0618268619,GGA,F-43m,A13B4C4_cF84_216_afg_e_e:O-Pb-Ru,21.0,"Invalid WP multiplicities - A13B4C4_cF84_216_a4f3g_e_e:O-Pb-Ru, expected Ru4Pb4O43 to be Ru4Pb4O13" +mp-1221065,Nd4Sc3Fe25B2,-7.8249117524,-0.0843437866,0.0451661699,0.0451661699,GGA,Cmm2,A2B25C4D3_oC136_35_de_2a2b2c2d3e8f_2d2e_2de:B-Fe-Nd-Sc,68.0,"Invalid WP multiplicities - A2B25C4D3_oC136_35_de_2a2b4c2d3e16f_2d2e_2de:B-Fe-Nd-Sc, expected Nd4Sc3Fe43B2 to be Nd4Sc3Fe25B2" +mp-1211956,K2Na4ZnSn2,-2.0310923739,-0.165560553,0.0,-0.0036039041,GGA,P2_1/c,A2B4C2D_mP36_14_2e_4e_2e_e:K-Na-Sn-Zn,36.0,A2B4C2D_mP36_14_2e_4e_2e_e:K-Na-Sn-Zn +mp-1210443,Na5(ZnSn5)2,-3.0184554891,-0.1227006516,0.0171673187,0.0171673187,GGA,Pbcn,A5B10C2_oP68_60_c2d_5d_d:Na-Sn-Zn,68.0,A5B10C2_oP68_60_c2d_5d_d:Na-Sn-Zn +mp-1222199,Na20Zn8Sn11,-2.2391012003,-0.1715692732,0.0,-0.0012267825,GGA,C2,A20B11C8_mC156_5_20c_11c_8c:Na-Sn-Zn,78.0,A20B11C8_mC156_5_20c_11c_8c:Na-Sn-Zn +mp-1213542,Na16Zn11Sn16,-2.4623407108,-0.1560445693,0.0142350405,0.0142350405,GGA,Ibam,A16B16C11_oI344_72_f3j6k_g3j6k_3j4k:Na-Sn-Zn,172.0,A16B16C11_oI344_72_f3j6k_g3j6k_3j4k:Na-Sn-Zn +mp-1223881,K7Na17(ZnSn2)4,-2.0349038189,-0.1634795995,0.0014229632,0.0014229632,GGA,P1,A7B17C8D4_aP36_1_7a_17a_8a_4a:K-Na-Sn-Zn,36.0,A7B17C8D4_aP36_1_7a_17a_8a_4a:K-Na-Sn-Zn +mp-568866,Na6ZnSn2,-2.07239775,-0.159726741,0.0,-0.004573305,GGA,C2/m,A6B2C_mC18_12_3i_i_a:Na-Sn-Zn,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_6i_i_a:Na-Sn-Zn, expected Na12ZnSn2 to be Na6ZnSn2" +mp-1225236,Na2ZnSn5,-0.7293192956,2.2647623884,2.3841981312,2.3841981312,GGA,I2_12_12_1,A2B5C_oI32_24_d_a2d_a:Na-Sn-Zn,16.0,A2B5C_oI32_24_d_a2d_a:Na-Sn-Zn +mp-1224111,K4Zn2Sn21,-3.5270814719,-0.1507076954,0.0,-0.0305226732,GGA,Ama2,A4B21C2_oC108_40_a3b_5b8c_ab:K-Sn-Zn,54.0,"Invalid WP multiplicities - A4B21C2_oC108_40_2a3b_9b28c_2ab:K-Sn-Zn, expected K5Zn3Sn65 to be K4Zn2Sn21" +mp-1211291,Na20Zn7Sn12,-2.3166964494,-0.1786561058,0.0,-0.0013692467,GGA,C2/c,A20B12C7_mC156_15_10f_6f_c3f:Na-Sn-Zn,78.0,A20B12C7_mC156_15_10f_6f_a3f:Na-Sn-Zn +mp-505576,Zr6Al7Cu16H9,-4.9227549208,-0.3536213493,0.0459722809,0.0459722809,GGA,Fm-3m,A7B16C9D6_cF152_225_ad_2f_bf_e:Al-Cu-H-Zr,38.0,A7B16C9D6_cF152_225_ad_2f_bf_e:Al-Cu-H-Zr +mp-1215380,Zr6Al7Cu16H3,-5.1622216634,-0.3725116808,0.0,-0.0009399036,GGA,Imm2,A7B16C3D6_oI64_44_a2be_4c4d_ac_2ae:Al-Cu-H-Zr,32.0,"Invalid WP multiplicities - A7B16C3D6_oI64_44_a2b2e_4c4d_ac_2a2e:Al-Cu-H-Zr, expected Zr10Al11Cu16H3 to be Zr6Al7Cu16H3" +mp-1069520,Zr2CuH2,-6.009409832,-0.413397828,0.0484244997,0.0484244997,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cu-H-Zr,5.0,AB2C2_tI10_139_a_d_e:Cu-H-Zr +mp-1105830,Zr2CuH5,-5.2474990338,-0.4777192644,0.0245885231,0.0245885231,GGA,C2/m,AB5C2_mC32_12_i_5i_2i:Cu-H-Zr,16.0,AB5C2_mC32_12_i_5i_2i:Cu-H-Zr +mp-1198976,Ba3GaS4Cl,-5.1510696883,-2.1311411361,0.0,-0.0229564206,GGA,Pnma,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Cl-Ga-S,36.0,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Cl-Ga-S +mp-16538,Ba5Gd8Zn4O21,-9.2738504768,-3.1916586348,0.0068730871,0.0068730871,GGA,I4/m,A5B8C21D4_tI76_87_ah_2h_bh2i_h:Ba-Gd-O-Zn,38.0,"Invalid WP multiplicities - A5B8C21D4_tI76_87_ah_2h_b2h2i_h:Ba-Gd-O-Zn, expected Ba5Gd8Zn4O25 to be Ba5Gd8Zn4O21" +mp-15904,BaGd2ZnO5,-9.4308705383,-3.2014920287,0.0146320352,0.0146320352,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Gd-O-Zn,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Ba-Gd-O-Zn, expected BaGd4ZnO5 to be BaGd2ZnO5" +mp-1219284,ScNb(PbO3)2,-7.998670942,-2.6447508867,0.0440632992,0.0440632992,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Pb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Pb-Sc +mp-1209960,NaYCl4,-5.0512523783,-2.5207285372,0.013109385,0.013109385,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Na-Y,12.0,A4BC_aP12_2_4i_i_i:Cl-Na-Y +mp-1110696,Rb2NaYCl6,-4.545488446,-2.4613599948,0.0,-0.0007841631,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Na-Rb-Y +mp-31362,Na3YCl6,-4.5154602875,-2.3629335921,0.0027301265,0.0004586255,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:Cl-Na-Y,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_6e_ae_b:Cl-Na-Y, expected Na3YCl12 to be Na3YCl6" +mp-675104,Na3YCl6,-4.518190414,-2.3656637186,0.0,-0.002271501,GGA,R-3,A6B3C_hR30_148_f_ac_b:Cl-Na-Y,10.0,"Invalid WP multiplicities - A6B3C_hR30_148_f_a2c_b:Cl-Na-Y, expected Na5YCl6 to be Na3YCl6" +mp-1111487,Na3YCl6,-4.378575301,-2.2260486056,0.139615113,0.137343612,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-Na-Y,10.0,A6B3C_cF40_225_e_ac_b:Cl-Na-Y +mp-1213131,ErTa5Ag2O15,-9.2437082178,-2.9949234511,0.054920617,0.054920617,GGA,P4/mbm,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Er-O-Ta,46.0,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Er-O-Ta +mp-754154,CsHoO2,-6.8205268312000005,-2.9777296651,0.0,-0.0044816618,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Ho-O,8.0,ABC2_hP8_194_c_a_f:Cs-Ho-O +mp-753923,Cs3HoO3,-5.3633459386,-2.2049627786,0.0102973279,0.0061916479,GGA,C2/m,A3BC3_mC28_12_ghi_i_ij:Cs-Ho-O,14.0,"Invalid WP multiplicities - A3BC3_mC28_12_gh2i_i_2ij:Cs-Ho-O, expected Cs4HoO4 to be Cs3HoO3" +mp-768211,Cs3HoO3,-5.3736432664,-2.2152601064,0.0,-0.00410568,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Ho-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:Cs-Ho-O, expected Cs9HoO9 to be Cs3HoO3" +mp-1213347,CsHo(MoO4)2,-8.1175384567,-2.5556533607,0.0,-0.0278992897,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Cs-Ho-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Cs-Ho-Mo-O +mp-1213217,CsHo(MoO4)2,-8.0621960396,-2.5003109436,0.0553424171,0.0274431274,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Cs-Ho-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Cs-Ho-Mo-O +mp-1213413,CsHo(MoO4)2,-8.1116118262,-2.5497267302,0.0059266304,-0.0219726593,GGA+U,Pccm,ABC2D8_oP24_49_e_f_q_2qr:Cs-Ho-Mo-O,24.0,ABC2D8_oP24_49_e_f_q_2qr:Cs-Ho-Mo-O +mp-11200,LaMg2Ni,-3.7292879263,-0.250111955,0.0,-0.0325795264,GGA,Cmcm,AB2C_oC16_63_c_f_c:La-Mg-Ni,8.0,AB2C_oC16_63_c_f_c:La-Mg-Ni +mp-1223423,La2MgNi9,-5.5853251017000005,-0.29419807,0.0025628775,0.0025628775,GGA,R3m,A2BC9_hR36_160_2a_a_3a2b:La-Mg-Ni,12.0,A2BC9_hR36_160_2a_a_3a2b:La-Mg-Ni +mp-5134,LaMg2Ni9,-5.2596333817,-0.2464836046,0.004644421,0.004644421,GGA,R-3m,AB2C9_hR36_166_a_c_bch:La-Mg-Ni,12.0,"Invalid WP multiplicities - AB2C9_hR36_166_a_c_b2c2h:La-Mg-Ni, expected LaMg2Ni17 to be LaMg2Ni9" +mp-3289,LaMgNi4,-5.2546176533,-0.3118120075,0.0,-0.0252760826,GGA,F-43m,ABC4_cF24_216_a_c_e:La-Mg-Ni,6.0,ABC4_cF24_216_a_c_e:La-Mg-Ni +mp-866666,La2Mg(NiH4)2,-4.4068872292,-0.5473198462000001,0.0,-0.0199275351,GGA,P2_1/c,A8B2CD2_mP104_14_16e_4e_2e_4e:H-La-Mg-Ni,104.0,"Invalid WP multiplicities - A8B2CD2_mP104_14_61e_13e_5e_13e:H-La-Mg-Ni, expected La13Mg5Ni13H61 to be La2Mg(NiH4)2" +mp-697905,LaMg2NiH7,-3.891554958,-0.4673925761,0.0049315818,0.0049315818,GGA,P2_1/c,A7BC2D_mP88_14_14e_2e_4e_2e:H-La-Mg-Ni,88.0,A7BC2D_mP88_14_14e_2e_4e_2e:H-La-Mg-Ni +mp-581781,La23Mg4Ni7,-4.9072286074,-0.1898685963,0.0,-0.0075058218,GGA,P6_3mc,A23B4C7_hP68_186_ab7c_ac_b2c:La-Mg-Ni,68.0,"Invalid WP multiplicities - A23B4C7_hP68_186_2a2b32c_2a3c_2b8c:La-Mg-Ni, expected La100Mg11Ni26 to be La23Mg4Ni7" +mp-1022042,LaMg6Ni,-2.5244508038,0.0152772069,0.1509625104,0.1509625104,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Ni, expected LaMg12Ni to be LaMg6Ni" +mp-1022061,LaMg6Ni,-2.5042421831,0.0354858275,0.171171131,0.171171131,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Ni, expected LaMg12Ni to be LaMg6Ni" +mp-1211561,La4MgNi,-4.6847409088,-0.1640000504,0.0054462808,0.0054462808,GGA,F-43m,A4BC_cF96_216_efg_e_e:La-Mg-Ni,24.0,A4BC_cF96_216_efg_e_e:La-Mg-Ni +mp-1206086,LaMgNi2,-4.7345967112,-0.2104565825,0.087743436,0.087743436,GGA,Cmcm,ABC2_oC16_63_c_c_f:La-Mg-Ni,,ABC2_oC16_63_c_c_f:La-Mg-Ni +mp-1196215,La2MgNi2,-4.9177001748,-0.3111866507,0.0009822382,-0.0144982378,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:La-Mg-Ni,40.0,A2BC2_mP40_14_4e_2e_4e:La-Mg-Ni +mp-4952,La2MgNi2,-4.918682413,-0.312168889,0.0,-0.015480476,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:La-Mg-Ni,10.0,A2BC2_tP10_127_h_a_g:La-Mg-Ni +mp-1028367,LaMg14Ni,-2.0500962063,0.0199078241,0.0983798018,0.0983798018,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Ni, expected LaMg18Ni to be LaMg14Ni" +mp-1028359,LaMg14Ni,-2.0115348219,0.0584692084,0.1369411862,0.1369411862,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Ni, expected LaMg26Ni to be LaMg14Ni" +mp-562854,CsNb2BiO7,-8.08695611,-2.6719267863,0.0,-0.0047075949,GGA,Pmc2_1,ABC2D7_oP22_26_a_b_c_a3c:Bi-Cs-Nb-O,22.0,"Invalid WP multiplicities - ABC2D7_oP22_26_a_b_c_2a10c:Bi-Cs-Nb-O, expected CsNb2BiO22 to be CsNb2BiO7" +mp-1205767,Sr2MnReO6,-8.098972753,-2.6324065879000003,0.0079894923,0.0079894923,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mn-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Mn-O-Re-Sr +mp-631560,SrMnRe2,-7.931405225,1.0037355539,1.0037355539,1.0037355539,GGA,F-43m,AB2C_cF16_216_a_bc_d:Mn-Re-Sr,4.0,AB2C_cF16_216_a_bc_d:Mn-Re-Sr +mp-1047046,BaTl(MoO3)2,-7.2528046415,-1.6874995841,0.5124617042,0.5124617042,GGA+U,Cm,AB2C6D_mC40_8_2a_4a_12a_2a:Ba-Mo-O-Tl,20.0,AB2C6D_mC40_8_2a_4a_12a_2a:Ba-Mo-O-Tl +mp-1048444,Ba2TlMo2O7,-7.250942515,-2.0410496629,0.3356336776,0.3356336776,GGA+U,P4/mmm,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Mo-O-Tl,12.0,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Mo-O-Tl +mp-1046567,Ba2Tl2Mo3O10,-7.0974129635,-1.769938045,0.4613569911,0.4613569911,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Mo-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Mo-O-Tl +mp-1111097,Li2CuSbF6,-4.52721821,-2.1757254652,0.4612840399,0.4612840399,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Li-Sb +mp-6238,Ba2Ta6Te2O21,-9.0491827877,-3.0765476141,0.0,-0.0296280785,GGA,C2/m,A2B21C6D2_mC62_12_i_ah3i3j_3i_i:Ba-O-Ta-Te,31.0,"Invalid WP multiplicities - A2B21C6D2_mC62_12_i_ah3i4j_3i_i:Ba-O-Ta-Te, expected Ba2Ta6Te2O25 to be Ba2Ta6Te2O21" +mp-1221767,MnInCuS4,-5.2921181829,-0.6408745886,0.1575496607,0.1575496607,GGA,Pm,ABCD4_mP7_6_b_a_a_2a2b:Cu-In-Mn-S,7.0,ABCD4_mP7_6_b_a_a_2a2b:Cu-In-Mn-S +mp-1196473,TbSbMo2O9,-8.1475050202,-2.3802076386,0.0154648485,0.0154648485,GGA+U,C2/c,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Tb,52.0,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Tb +mp-1193143,BaCr2AsO10,-7.2078990161,-1.8256793448,0.0770484049,0.0770484049,GGA+U,P-1,ABC2D10_aP28_2_i_i_2i_10i:As-Ba-Cr-O,28.0,ABC2D10_aP28_2_i_i_2i_10i:As-Ba-Cr-O +mp-571339,Ba(CrAs)2,-6.57199045,-0.463329112,0.0086029897,0.0086029897,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Cr,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Cr +mp-1332100,Zn3Ge3(BiO6)2,-5.9351272891,-1.7006494296,0.255979348,0.255979348,GGA,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Bi-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Bi-Ge-O-Zn +mp-1342422,Zn2BiSbO6,-5.7039754845,-1.6870644987,0.1398824485,0.1398824485,GGA,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Bi-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Bi-O-Sb-Zn, expected Zn2BiSbO16 to be Zn2BiSbO6" +mp-1043589,ZnBiSbO5,-5.9352553478,-1.6899206558,0.1458792134,0.1458792134,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-Sb-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-Sb-Zn, expected ZnBiSbO15 to be ZnBiSbO5" +mp-1042350,ZnBiSbO5,-5.9563295741,-1.710994882,0.1248049872,0.1248049872,GGA,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-Sb-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-Sb-Zn, expected ZnBiSbO31 to be ZnBiSbO5" +mp-22103,DyMnO3,-8.7599994545,-3.0382258013,0.0223025712,-0.0102708099,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Dy-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Dy-Mn-O +mp-1188804,DyMnO3,-8.4585087345,-2.7367350813,0.3237932912,0.2912199101,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Dy-Mn-O,20.0,ABC3_oP20_62_c_a_cd:Dy-Mn-O +mp-542479,DyMnO3,-8.7823020257,-3.0605283725,0.0,-0.0325733811,GGA+U,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Dy-Mn-O,30.0,ABC3_hP30_185_ab_c_ab2c:Dy-Mn-O +mp-1096958,DyMn2O4,-8.73027057,-2.6277602458,0.1240043469,0.1240043469,GGA+U,C2/m,AB2C4_mC28_12_i_ace_2ij:Dy-Mn-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_ade_4i2j:Dy-Mn-O, expected DyMn2O8 to be DyMn2O4" +mp-1096947,DyMn2O4,-8.8194909414,-2.7169806173,0.0347839755,0.0347839755,GGA+U,R-3m,AB2C4_hR21_166_a_c_2c:Dy-Mn-O,7.0,AB2C4_hR21_166_a_c_2c:Dy-Mn-O +mp-1096945,DyMn2O4,-8.7023319529,-2.5998216287,0.151942964,0.151942964,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Dy-Mn-O,14.0,AB2C4_cF56_227_a_d_e:Dy-Mn-O +mp-755869,Dy2Mn2O7,-8.5476443186,-2.8963329329,0.0,-0.0542796427,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Dy-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Dy-Mn-O, expected DyMnO10 to be Dy2Mn2O7" +mp-1225344,Dy2MnSbO7,-8.1509557155,-2.9571910617,0.0,-0.0009363758,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Dy-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Dy-Mn-O-Sb, expected Dy2MnSbO13 to be Dy2MnSbO7" +mp-18601,DyMn2O5,-8.6125919494,-2.6545593268000003,0.0,-0.0337419293,GGA+U,Pbam,AB2C5_oP32_55_g_eh_fghi:Dy-Mn-O,32.0,AB2C5_oP32_55_g_eh_fghi:Dy-Mn-O +mp-1225368,Dy2Mn3Sb3O14,-7.8359618645,-2.4568588994,0.0203636014,0.0203636014,GGA+U,C2/m,A2B3C14D3_mC44_12_ac_bf_3i2j_de:Dy-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_ac_be_5i6j_df:Dy-Mn-O-Sb, expected Dy2Mn3Sb3O34 to be Dy2Mn3Sb3O14" +mp-612861,La(ReSi)2,-8.649970905,-0.514831398,0.0,-0.109985589,GGA,Imma,AB2C2_oI20_74_e_2e_2e:La-Re-Si,10.0,"Invalid WP multiplicities - AB2C2_oI20_74_e_4e_2e:La-Re-Si, expected La(Re2Si)2 to be La(ReSi)2" +mp-1212153,La12(ReC3)5,-8.3750553131,-0.2536583265,0.0,-0.1242439714,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-La-Re,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-La-Re +mp-1025245,La2Re2Si2C,-8.3634632,-0.5291246096000001,0.0,-0.0758793418,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-La-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-La-Re-Si +mp-1222352,LiTiRhO4,-7.70072952,-2.4213755774,0.0,-0.0005102052,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Rh-Ti,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Li-O-Rh-Ti, expected LiTiRhO8 to be LiTiRhO4" +mp-863727,LiTiRh2,-6.777465045,-0.6442073892,0.0,-0.0954524497,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Rh-Ti,4.0,AB2C_cF16_225_a_c_b:Li-Rh-Ti +mp-780402,Sc2Ti2O7,-9.406438978,-3.6716441396,0.0567441493,0.0527860498,GGA,P2_1,A7B2C2_mP88_4_28a_8a_8a:O-Sc-Ti,88.0,"Invalid WP multiplicities - A7B2C2_mP88_4_55a_15a_15a:O-Sc-Ti, expected Sc3Ti3O11 to be Sc2Ti2O7" +mp-753802,Sc2Ti2O7,-9.4631831273,-3.7283882889,0.0,-0.0039580995,GGA,C2/m,A7B2C2_mC22_12_aij_h_i:O-Sc-Ti,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_a2i2j_h_i:O-Sc-Ti, expected Sc2Ti2O13 to be Sc2Ti2O7" +mp-1219404,Sc4Ti3O12,-9.4219209947,-3.7178885208,0.0438769797,0.0438769797,GGA,P1,A12B4C3_aP19_1_12a_4a_3a:O-Sc-Ti,19.0,A12B4C3_aP19_1_12a_4a_3a:O-Sc-Ti +mp-675128,Sc4Ti3O12,-9.4289718895,-3.7249394155,0.036826085,0.036826085,GGA,P-1,A12B4C3_aP38_2_12i_4i_3i:O-Sc-Ti,38.0,"Invalid WP multiplicities - A12B4C3_aP38_2_24i_8i_5i:O-Sc-Ti, expected Sc8Ti5O24 to be Sc4Ti3O12" +mp-753401,Sc2TiO5,-9.4693933894,-3.8076591665,0.0,-0.0039247126,GGA,Cmc2_1,A5B2C_oC32_36_5a_2a_a:O-Sc-Ti,16.0,"Invalid WP multiplicities - A5B2C_oC32_36_10a_3a_a:O-Sc-Ti, expected Sc3TiO10 to be Sc2TiO5" +mp-754092,ScTiO3,-9.353816591,-3.5402111399,0.0966383739,0.0966383739,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:O-Sc-Ti,20.0,"Invalid WP multiplicities - A3BC_oP20_33_11a_a_a:O-Sc-Ti, expected ScTiO11 to be ScTiO3" +mp-1101375,ScTiO3,-9.381252957,-3.5676475059,0.0692020079,0.0692020079,GGA,R-3,A3BC_hR30_148_f_c_c:O-Sc-Ti,10.0,A3BC_hR30_148_f_c_c:O-Sc-Ti +mp-2229011,MgSc4Ti2O10,-8.9593399812,-3.5365148273,0.1317695901,0.1317695901,GGA,P1,AB10C4D2_aP17_1_a_10a_4a_2a:Mg-O-Sc-Ti,17.0,AB10C4D2_aP17_1_a_10a_4a_2a:Mg-O-Sc-Ti +mp-2229694,MgSc4Ti2O10,-8.9649574759,-3.542132322,0.1261520954,0.1261520954,GGA,Cm,AB10C4D2_mC34_8_a_10a_4a_2a:Mg-O-Sc-Ti,17.0,AB10C4D2_mC34_8_a_10a_4a_2a:Mg-O-Sc-Ti +mp-2218205,MgSc2Ti2O7,-8.7434891542,-3.3532372148,0.1895423695,0.1895423695,GGA,C2,AB7C2D2_mC24_5_a_a3c_2b_c:Mg-O-Sc-Ti,12.0,"Invalid WP multiplicities - AB7C2D2_mC24_5_a_a6c_2b_c:Mg-O-Sc-Ti, expected MgSc2Ti2O13 to be MgSc2Ti2O7" +mp-2218179,MgSc2Ti2O7,-8.7457662633,-3.355514324,0.1872652603,0.1872652603,GGA,Cm,AB7C2D2_mC24_8_a_3a2b_b_2a:Mg-O-Sc-Ti,12.0,AB7C2D2_mC24_8_a_3a2b_b_2a:Mg-O-Sc-Ti +mp-1189702,ZnCu2SiS4,-4.7309087006,-0.8022493947,0.0,-0.0111608362,GGA,Pc,A2B4CD_mP16_7_2a_4a_a_a:Cu-S-Si-Zn,16.0,A2B4CD_mP16_7_2a_4a_a_a:Cu-S-Si-Zn +mp-977414,ZnCu2SiS4,-4.72928817,-0.8006288641,0.0016205306,-0.0095403055,GGA,Pmn2_1,A2B4CD_oP16_31_b_2ab_a_a:Cu-S-Si-Zn,16.0,"Invalid WP multiplicities - A2B4CD_oP16_31_b_4a2b_a_a:Cu-S-Si-Zn, expected ZnCu2SiS8 to be ZnCu2SiS4" +mp-1211926,Rb2Ta2Si2O11,-8.0393929985,-2.6899320991,0.2558153834,0.2558153834,GGA,P4_122,A11B2C2D2_tP136_91_2c10d_acd_2d_2d:O-Rb-Si-Ta,136.0,A11B2C2D2_tP136_91_2c10d_acd_2d_2d:O-Rb-Si-Ta +mp-1228704,Ca2Pr19(CoI12)3,-4.358469998,-1.5382274798000002,0.0,-0.0072772647,GGA,P-1,A2B3C36D19_aP60_2_i_ai_18i_b9i:Ca-Co-I-Pr,60.0,"Invalid WP multiplicities - A2B3C36D19_aP60_2_i_a2i_36i_b18i:Ca-Co-I-Pr, expected Ca2Pr37Co5I72 to be Ca2Pr19(CoI12)3" +mp-555315,Zr3Cd3AgF20,-5.8089343954,-3.2358267464,0.0,-0.0253048449,GGA,P6_3/m,AB3C20D3_hP54_176_a_h_bc4hi_h:Ag-Cd-F-Zr,54.0,"Invalid WP multiplicities - AB3C20D3_hP54_176_a_h_2b2c23h9i_h:Ag-Cd-F-Zr, expected Zr3Cd3AgF127 to be Zr3Cd3AgF20" +mp-1188009,ZrCdAg2,-3.87714494,-0.0932193408,0.0,-0.000781738,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Cd-Zr,4.0,A2BC_cF16_225_c_a_b:Ag-Cd-Zr +mp-1111675,K2LiCeCl6,-4.506097962,-2.3906949744,0.0574681405,0.0574681405,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Li +mp-649601,RuXeF11,-3.7029474498,-1.3693439612,0.0373077321,0.0373077321,GGA,Pnma,A11BC_oP52_62_5c3d_c_c:F-Ru-Xe,52.0,"Invalid WP multiplicities - A11BC_oP52_62_19c18d_c_c:F-Ru-Xe, expected RuXeF55 to be RuXeF11" +mp-27288,RuXeF7,-4.1597000069,-1.63848562,0.0,-0.0242467881,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Ru-Xe,36.0,A7BC_mP36_14_7e_e_e:F-Ru-Xe +mp-1194442,BaRu2Xe5F22,-3.7679789097,-1.6779393045000002,0.0,-0.0434316125,GGA,Fmmm,AB22C2D5_oF120_69_a_gmnop_c_bde:Ba-F-Ru-Xe,30.0,AB22C2D5_oF120_69_a_gmnop_c_bde:Ba-F-Ru-Xe +mp-1206070,Ba3RuF6,-5.648483721,-2.9984636045,0.749122099,0.749122099,GGA,C2/m,A3B6C_mC20_12_ce_ij_a:Ba-F-Ru,10.0,A3B6C_mC20_12_ae_ij_d:Ba-F-Ru +mp-1239116,Ba3RuF6,-5.657974154,-3.0079540375,0.7396316660000001,0.7396316660000001,GGA,C2/m,A3B6C_mC20_12_ce_ij_a:Ba-F-Ru,10.0,"Invalid WP multiplicities - A3B6C_mC20_12_ae_i2j_d:Ba-F-Ru, expected Ba3RuF10 to be Ba3RuF6" +mp-1208697,Sr5Co3F19,-5.6981534746,-3.2503563993,0.0606132599,0.0606132599,GGA+U,I4/m,A3B19C5_tI108_87_eh_ab3h3i_d2h:Co-F-Sr,54.0,A3B19C5_tI108_87_eh_ab3h3i_d2h:Co-F-Sr +mp-554131,SrLiCoF6,-5.5206542,-3.0566977644,0.042132915,0.042132915,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Co-F-Li-Sr,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_22e_e_e:Co-F-Li-Sr, expected SrLiCoF22 to be SrLiCoF6" +mp-1208712,SrCoF5,-5.6143141204,-2.9921418224,0.0555167536,0.0555167536,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Co-F-Sr,56.0,AB5C_mP56_14_2e_10e_2e:Co-F-Sr +mp-1111922,K2LiTaBr6,-4.129169512,-1.5986026749,0.1580701906,0.1580701906,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Ta +mp-643264,BaMg2FeH8,-3.8839294525,-0.4896490683,0.0,-0.0340912823,GGA,P-3m1,ABC8D2_hP12_164_a_b_di_d:Ba-Fe-H-Mg,12.0,ABC8D2_hP12_164_a_b_di_d:Ba-Fe-H-Mg +mp-1120725,CsPbBr3,-3.533006652,-1.6795797656,0.0076557885,-0.0083924111,GGA,Amm2,A3BC_oC20_38_2ade_2b_d:Br-Cs-Pb,10.0,"Invalid WP multiplicities - A3BC_oC20_38_2a2de_2b_d:Br-Cs-Pb, expected CsPbBr4 to be CsPbBr3" +mp-567629,CsPbBr3,-3.5393921645,-1.6859652781,0.001270276,-0.0147779236,GGA,Pnma,A3BC_oP20_62_cd_c_a:Br-Cs-Pb,20.0,"Invalid WP multiplicities - A3BC_oP20_62_2cd_c_a:Br-Cs-Pb, expected CsPbBr4 to be CsPbBr3" +mp-567681,CsPbBr3,-3.5406624405,-1.6872355541,0.0,-0.0160481996,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cs-Pb,20.0,"Invalid WP multiplicities - A3BC_oP20_62_8c_c_c:Br-Cs-Pb, expected CsPbBr8 to be CsPbBr3" +mp-1014168,CsPbBr3,-3.531680547,-1.6782536606,0.0089818935,-0.0070663061,GGA,I4/mcm,A3BC_tI20_140_ah_b_c:Br-Cs-Pb,10.0,A3BC_tI20_140_ah_b_c:Br-Cs-Pb +mp-600089,CsPbBr3,-3.531798372,-1.6783714856,0.0088640685,-0.0071841311,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Br-Cs-Pb,5.0,A3BC_cP5_221_c_a_b:Br-Cs-Pb +mp-2646981,CsPbI2Br,-3.212106902,-1.3905448076,0.0359534062,0.0359534062,GGA,P4/mmm,ABC2D_tP5_123_a_c_e_b:Br-Cs-I-Pb,5.0,ABC2D_tP5_123_a_c_e_b:Br-Cs-I-Pb +mp-1238811,CsPb2Br5,-3.5657014275,-1.5549716572,0.0055465338,0.0055465338,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-Cs-Pb,16.0,A5BC2_tI32_140_cl_a_h:Br-Cs-Pb +mp-571465,PbIBr,-3.3564479867,-1.1101007367,0.0419827325,0.0419827325,GGA,Pnma,ABC_oP12_62_c_c_c:Br-I-Pb,12.0,ABC_oP12_62_c_c_c:Br-I-Pb +mp-2647124,Cs2PbBr6,-3.1826387011,-1.5357918351,0.0437633597,0.0437633597,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Cs-Pb,9.0,A6B2C_cF36_225_e_c_a:Br-Cs-Pb +mp-23436,Cs4PbBr6,-3.43496947,-1.9247488756,0.0,-0.015179108,GGA,R-3c,A6B4C_hR66_167_f_ae_b:Br-Cs-Pb,22.0,A6B4C_hR66_167_f_ae_b:Br-Cs-Pb +mp-1210839,Lu2Be2GeO7,-7.939740195,-3.292192228,0.0242841355,0.0242841355,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Lu-O,24.0,A2BC2D7_tP24_113_e_a_e_cef:Be-Ge-Lu-O +mp-989542,Ba6Tl2NCl,-3.356847309,-0.7144305572,0.020639006,0.020639006,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Ba-Cl-N-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:Ba-Cl-N-Tl +mp-1209659,Rb2Mn2Be3F12,-6.1699185011,-3.3045982414,0.0,-0.0257107029,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-Rb,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-Rb +mp-21113,Y(FeGe)2,-6.990257846,-0.4597439973,0.0,-0.024008344,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Y,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Y +mp-1216373,Y(GaFe)6,-5.9734733031000005,-0.1692291101,0.1514808792,0.1117912988,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Y,,A6B6C_oF52_69_dm_em_a:Fe-Ga-Y +mp-1104485,Y(GaFe)6,-6.1249541823,-0.3207099894,0.0,-0.0396895804,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Y,13.0,A6B6C_oI26_71_fk_egh_a:Fe-Ga-Y +mp-1095063,YFeGe2,-6.5095042413,-0.4638672329,0.0720285112,0.0720285112,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Y,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Y +mp-1216502,Y4Ga6FeGe6,-5.1994078347,-0.4792520154,0.0427143501,0.0427143501,GGA,Im-3m,AB6C6D4_cI34_229_a_d_e_c:Fe-Ga-Ge-Y,17.0,AB6C6D4_cI34_229_a_d_e_c:Fe-Ga-Ge-Y +mp-1207830,Y(Fe2Ge)2,-7.4071252636,-0.3224664545,0.005922115,0.005922115,GGA,Pnnm,A4B2C_oP14_58_2g_g_a:Fe-Ge-Y,14.0,A4B2C_oP14_58_2g_g_a:Fe-Ge-Y +mp-1207910,Y(Fe2Ge)2,-7.3762575,-0.291598691,0.0367898786,0.0367898786,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Ge-Y,14.0,A4B2C_tP14_136_i_f_a:Fe-Ge-Y +mp-1200648,Y2Ga3Fe14,-7.5024624479,-0.1025925935,0.072525375,0.072525375,GGA,P6_3/mmc,A14B3C2_hP38_194_fjk_g_bc:Fe-Ga-Y,38.0,A14B3C2_hP38_194_fjk_g_bc:Fe-Ga-Y +mp-1188725,Y2Ga2Fe15,-7.74144455,-0.0551575804,0.0854677742,0.0854677742,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Y,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Ga-Y +mp-1194620,Y(FeGe)6,-6.8157531569,-0.2753865797,0.0,-0.0233954849,GGA,Cmcm,A6B6C_oC52_63_deg_4cg_c:Fe-Ge-Y,26.0,A6B6C_oC52_63_deg_4cg_c:Fe-Ge-Y +mp-1106026,Y4Ga12Fe,-4.6940916635,-0.5368529616000001,0.0,-0.0028605499,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Fe-Ga-Y,17.0,AB12C4_cI34_229_a_de_c:Fe-Ga-Y +mp-558875,HoTe2ClO5,-6.4103028528,-2.2490805336,0.0,-0.0134826263,GGA,P-1,ABC5D2_aP36_2_2i_2i_10i_4i:Cl-Ho-O-Te,36.0,"Invalid WP multiplicities - ABC5D2_aP36_2_2i_4i_19i_7i:Cl-Ho-O-Te, expected Ho4Te7Cl2O19 to be HoTe2ClO5" +mp-557285,Ho11Te16ClO48,-6.9647067167,-2.4911674185,0.0,-0.0170744656,GGA,P-1,AB11C48D16_aP76_2_a_e5i_24i_8i:Cl-Ho-O-Te,76.0,"Invalid WP multiplicities - AB11C48D16_aP76_2_a_e9i_48i_14i:Cl-Ho-O-Te, expected Ho19Te28ClO96 to be Ho11Te16ClO48" +mp-559805,HoTeClO3,-6.6746743646,-2.6056214384,0.0,-0.0404261808,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Ho-O-Te,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_2c2d_c:Cl-Ho-O-Te, expected HoTeClO6 to be HoTeClO3" +mp-1223329,La2(B2Rh3)3,-7.4799346641,-0.6430443309,0.0,-0.0721604041,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-La-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-La-Rh +mp-1223015,LaCe(B2Rh3)2,-7.4812794225,-0.6669035422,0.0269036308,0.0269036308,GGA,Pmmm,A4BCD6_oP12_47_ij_a_d_fgx:B-Ce-La-Rh,12.0,"Invalid WP multiplicities - A4BCD6_oP12_47_2ij_a_d_fgx:B-Ce-La-Rh, expected LaCe(BRh)6 to be LaCe(B2Rh3)2" +mp-1223216,La5B4Rh15,-7.3780563083,-0.6337971142000001,0.0353952777,0.0353952777,GGA,P4/mmm,A4B5C15_tP24_123_2g_c2h_ae2g2i:B-La-Rh,24.0,"Invalid WP multiplicities - A4B5C15_tP24_123_3g_c3h_a2e3g6i:B-La-Rh, expected La7B6Rh35 to be La5B4Rh15" +mp-3088,LaBRh3,-7.439526698,-0.6978622008,0.0,-0.0513134632,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-La-Rh,5.0,ABC3_cP5_221_b_a_c:B-La-Rh +mp-1223276,La(CeB8)3,-7.0640121868,-0.5268451486,0.0004073639,0.0004073639,GGA,Pmmm,A24B3C_oP28_47_jl4vy_an_e:B-Ce-La,28.0,"Invalid WP multiplicities - A24B3C_oP28_47_2j2l16v4y_a2n_e:B-Ce-La, expected LaCe5B88 to be La(CeB8)3" +mp-1223281,La(CeB8)3,-7.0633783507,-0.5262113125,0.0010412,0.0010412,GGA,P4/mmm,A24B3C_tP28_123_4h2t_ag_b:B-Ce-La,28.0,"Invalid WP multiplicities - A24B3C_tP28_123_8h10t_a2g_b:B-Ce-La, expected LaCe5B96 to be La(CeB8)3" +mp-3465,LaB2Rh3,-7.38927598,-0.6579902706,0.0176128713,0.0176128713,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-La-Rh,6.0,A2BC3_hP6_191_c_a_g:B-La-Rh +mp-1222946,LaCeRh4,-7.4127080483,-0.691653425,0.008506045,0.008506045,GGA,F-43m,ABC4_cF24_216_a_c_e:Ce-La-Rh,6.0,ABC4_cF24_216_a_c_e:Ce-La-Rh +mp-14696,La2B4Rh5,-7.3593689336,-0.6856306933,0.0,-0.0228747122,GGA,Fmmm,A4B2C5_oF44_69_n_g_acf:B-La-Rh,11.0,"Invalid WP multiplicities - A4B2C5_oF44_69_n_g_a2c2f:B-La-Rh, expected La2B4Rh9 to be La2B4Rh5" +mp-1222912,LaCeB12,-7.0386408121,-0.5370838471,0.0018259736,0.0018259736,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Ce-La,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Ce-La, expected LaCeB32 to be LaCeB12" +mp-1222899,LaCeB12,-7.03738107,-0.535824105,0.0030857157,0.0030857157,GGA,Fm-3m,A12BC_cF56_225_g_a_b:B-Ce-La,14.0,A12BC_cF56_225_g_a_b:B-Ce-La +mp-1223027,LaB4Rh7,-7.2592622417,-0.3256181351,0.1967603085,0.1967603085,GGA,Pmmm,A4BC7_oP12_47_ij_a_dfgx:B-La-Rh,12.0,"Invalid WP multiplicities - A4BC7_oP12_47_2ij_a_dfgx:B-La-Rh, expected LaB6Rh7 to be LaB4Rh7" +mp-1223746,InSb3Pb4O13,-6.3284050914,-1.8381084735,0.0,-0.0281700906,GGA,R3m,AB13C4D3_hR63_160_a_a4b_ab_b:In-O-Pb-Sb,21.0,"Invalid WP multiplicities - AB13C4D3_hR63_160_a_a10b_ab_b:In-O-Pb-Sb, expected InSb3Pb4O31 to be InSb3Pb4O13" +mp-1235384,LiDy2Nb2O8,-8.708737642300001,-3.2549979256,0.1495078848,0.1495078848,GGA,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Dy-Li-Nb-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Dy-Li-Nb-O +mp-1236234,LiDy2Nb2O8,-8.6740521938,-3.2203124772,0.1841933333,0.1841933333,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Dy-Li-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_6c:Dy-Li-Nb-O, expected LiDy2Nb2O12 to be LiDy2Nb2O8" +mp-1218371,Sr4SeS3,-5.1973830038,-2.3644786423,0.00640064,0.00640064,GGA,C2/m,A3BC4_mC16_12_ai_d_2i:S-Se-Sr,8.0,"Invalid WP multiplicities - A3BC4_mC16_12_a2i_c_2i:S-Se-Sr, expected Sr4SeS5 to be Sr4SeS3" +mp-1218707,Sr2SeS,-5.093123715,-2.3402866522,0.0064058725,0.0064058725,GGA,R-3m,ABC2_hR12_166_a_b_c:S-Se-Sr,4.0,ABC2_hR12_166_a_b_c:S-Se-Sr +mp-1218279,SrEuSe2,-7.0131207025,-2.2785411503,0.01000399,0.01000399,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-Se-Sr,4.0,AB2C_hR12_166_a_c_b:Eu-Se-Sr +mp-1218290,SrEu4Se5,-8.294946815,-2.2752410108,0.007439808,0.007439808,GGA,C2/m,A4B5C_mC20_12_2i_a2i_c:Eu-Se-Sr,10.0,"Invalid WP multiplicities - A4B5C_mC20_12_3i_a3i_c:Eu-Se-Sr, expected SrEu6Se7 to be SrEu4Se5" +mp-1218270,SrEuSeS,-7.221590415,-2.3268762655,0.0260114375,0.0260114375,GGA,R3m,ABCD_hR12_160_a_a_a_a:Eu-S-Se-Sr,4.0,ABCD_hR12_160_a_a_a_a:Eu-S-Se-Sr +mp-1218296,SrEuS2,-7.44428264,-2.3894338932,0.011827325,0.011827325,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-S-Sr,4.0,AB2C_hR12_166_a_c_b:Eu-S-Sr +mp-1218389,Sr4Se3S,-4.9887214675,-2.3159517034,0.0065540638,0.0065540638,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:S-Se-Sr,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_2c:S-Se-Sr, expected Sr4Se5S to be Sr4Se3S" +mp-1225299,Eu2SeS,-9.3738747325,-2.3372834964,0.0058303375,0.0058303375,GGA,R-3m,A2BC_hR12_166_c_a_b:Eu-S-Se,4.0,A2BC_hR12_166_c_a_b:Eu-S-Se +mp-2219250,Ho2MgCr2O8,-8.2253723462,-2.8680875446,0.1426517398,0.1426517398,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Ho-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_6c:Cr-Ho-Mg-O, expected Ho2MgCr2O12 to be Ho2MgCr2O8" +mp-2240926,Ho2MgCr2O8,-8.2030548477,-2.8457700462,0.1649692382,0.1649692382,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Cr-Ho-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_8c:Cr-Ho-Mg-O, expected Ho2MgCr2O16 to be Ho2MgCr2O8" +mp-1041076,HoMgCr2O6,-8.297711402000001,-2.7808197893,0.0980452619,0.0980452619,GGA+U,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Cr-Ho-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a4b:Cr-Ho-Mg-O, expected HoMgCr2O12 to be HoMgCr2O6" +mp-27700,Sb4Br2O5,-5.6656935859,-1.6333749335,0.0,-0.0157740865,GGA,P2_1/c,A2B5C4_mP22_14_e_a2e_2e:Br-O-Sb,22.0,A2B5C4_mP22_14_e_a2e_2e:Br-O-Sb +mp-768372,SbBrO,-5.0264217331,-1.4835156393,6.01138e-05,6.01138e-05,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:Br-O-Sb,36.0,ABC_mP36_14_9e_9e_9e:Br-O-Sb +mp-989189,SbBrO,-4.9928645417,-1.4499584479,0.0336173052,0.0336173052,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Sb,6.0,ABC_tP6_129_c_a_c:Br-O-Sb +mp-550763,CoSb2Br2O3,-5.6497340059,-1.4856786223,0.0,-0.0503565187,GGA+U,P-1,A2BC3D2_aP16_2_2i_i_3i_2i:Br-Co-O-Sb,32.0,A2BC3D2_aP16_2_2i_i_3i_2i:Br-Co-O-Sb +mp-1192299,Sb4BrO6,-5.9572269345,-1.616393702,0.1019208646,0.1019208646,GGA,C2/m,AB6C4_mC44_12_i_6i_4i:Br-O-Sb,22.0,AB6C4_mC44_12_i_6i_4i:Br-O-Sb +mp-558592,Sb8Br2O11,-6.0062039373,-1.6942209657,0.0,-0.0041193918,GGA,P-1,A2B11C8_aP84_2_4i_22i_16i:Br-O-Sb,84.0,"Invalid WP multiplicities - A2B11C8_aP84_2_7i_44i_30i:Br-O-Sb, expected Sb30Br7O44 to be Sb8Br2O11" +mp-1192995,Li4MnGe2S7,-5.0437932739,-1.1152995927,0.0,-0.0273998421,GGA,Cc,A2B4CD7_mC56_9_2a_4a_a_7a:Ge-Li-Mn-S,28.0,A2B4CD7_mC56_9_2a_4a_a_7a:Ge-Li-Mn-S +mp-21176,KCeGeSe4,-5.0509936393,-1.3866848011,0.0,-0.0202779894,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Ce-Ge-K-Se,14.0,"Invalid WP multiplicities - ABCD4_mP14_4_a_a_a_5a:Ce-Ge-K-Se, expected KCeGeSe5 to be KCeGeSe4" +mp-1104295,Nd(Mo3Se4)2,-7.487842518,-0.9672198571,0.0355403053,0.0355403053,GGA,R-3,A6BC8_hR45_148_f_a_cf:Mo-Nd-Se,15.0,A6BC8_hR45_148_f_a_cf:Mo-Nd-Se +mp-560590,Nd2Mo(SeO5)2,-7.5591316433,-2.4364213071,0.0,-0.0239529821,GGA+U,P-1,AB2C10D2_aP30_2_i_2i_10i_2i:Mo-Nd-O-Se,30.0,"Invalid WP multiplicities - AB2C10D2_aP30_2_i_3i_19i_3i:Mo-Nd-O-Se, expected Nd3MoSe3O19 to be Nd2Mo(SeO5)2" +mp-685251,Nd2(Mo3Se4)5,-7.4734119761,-0.9291072175,0.0441123858,0.0441123858,GGA,P-1,A15B2C20_aP148_2_30i_bc3i_40i:Mo-Nd-Se,148.0,"Invalid WP multiplicities - A15B2C20_aP148_2_60i_bc6i_80i:Mo-Nd-Se, expected Nd7(Mo3Se4)20 to be Nd2(Mo3Se4)5" +mp-558303,Ce3CuGeS7,-6.3406270992,-1.7175728443,0.0,-0.0364043661,GGA,P6_3,A3BCD7_hP24_173_c_a_b_b2c:Ce-Cu-Ge-S,24.0,"Invalid WP multiplicities - A3BCD7_hP24_173_c_a_b_2b6c:Ce-Cu-Ge-S, expected Ce3CuGeS20 to be Ce3CuGeS7" +mp-1215861,Yb2Fe3Cu,-5.4033022083,0.0281122683,0.1246581675,0.1246581675,GGA,R-3m,AB3C2_hR18_166_a_d_c:Cu-Fe-Yb,,AB3C2_hR18_166_a_d_c:Cu-Fe-Yb +mp-1215618,YbFeCu,-4.7444469333,-0.0415015467,0.1515902517,0.1515902517,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Yb,,ABC_oI12_74_a_c_e:Cu-Fe-Yb +mp-1190316,YbFe4(CuO4)3,-6.916441742,-1.5625628588,0.0030372695,0.0030372695,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Yb,,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Yb +mp-1104103,Dy(MnAl2)4,-5.8209086662,-0.3424890778,0.0,-0.0122184658,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Dy-Mn,13.0,A8BC4_tI26_139_ij_a_f:Al-Dy-Mn +mp-1225398,Dy(MnAl)6,-6.5558478292,-0.2441298621,0.0426994961,0.0426994961,GGA,Immm,A6BC6_oI26_71_efg_a_hk:Al-Dy-Mn,13.0,A6BC6_oI26_71_efg_a_hk:Al-Dy-Mn +mp-1191235,Dy3MnAlS7,-6.4954032379,-1.8551448454,0.0536113265,0.0536113265,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Dy-Mn-S +mp-1225534,DyMnAl,-6.0731267533,-0.235000766,0.0420832644,0.0420832644,GGA,Imma,ABC_oI12_74_a_e_c:Al-Dy-Mn,6.0,ABC_oI12_74_a_e_c:Al-Dy-Mn +mp-37233,Nd2CdS4,-5.7008256864,-1.8429708161,0.0960728175,0.0960728175,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Cd-Nd-S +mp-1220303,Nd6Cd(SiS7)2,-6.1748635804,-1.9012675565,0.0,-0.0115166583,GGA,P3,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-Nd-S-Si,23.0,AB6C14D2_hP23_143_c_2d_ab4d_ab:Cd-Nd-S-Si +mp-17020,TiTl2(GeO3)3,-6.9152065977,-2.1812025792,0.0,-0.0063975669,GGA,P6_3/m,A3B9CD2_hP30_176_h_hi_b_f:Ge-O-Ti-Tl,30.0,A3B9CD2_hP30_176_h_hi_b_f:Ge-O-Ti-Tl +mp-5852,Pr(SiOs)2,-8.301072338,-0.683817003,0.0,-0.2509615218,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Os-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Os-Pr-Si +mp-1209299,PrSiOs2C,-8.83393946,-0.4560146325,0.0,-0.0565619786,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Pr-Si,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Pr-Si +mp-1209971,Pr12(OsC3)5,-8.08884334,-0.2157905713,0.0,-0.0963499059,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Pr,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Pr +mp-1025290,La2Fe2Si2C,-7.26118092,-0.5624154654,0.0,-0.0801101129,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-La-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-La-Si +mp-1113474,Rb2CuNiF6,-4.780264441,-2.449335911,0.028578445,0.028578445,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ni-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ni-Rb +mp-8399,CsCdF3,-4.219606678,-2.7090608711,0.0,-0.083598494,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-Cs-F,5.0,ABC3_cP5_221_b_a_c:Cd-Cs-F +mp-561567,Cs4CdNi3F12,-4.8766338425,-2.6375009976,0.0,-0.0035866488,GGA+U,R-3m,AB4C12D3_hR60_166_a_2c_2h_bc:Cd-Cs-F-Ni,20.0,"Invalid WP multiplicities - AB4C12D3_hR60_166_a_4c_7h_bc:Cd-Cs-F-Ni, expected Cs8CdNi3F42 to be Cs4CdNi3F12" +mp-1112948,Cs2HgIrF6,-4.413208082,-2.1730287726,0.0803395453,0.0803395453,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Ir,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Ir +mp-1205575,Sr2ScOsO6,-7.957273805,-2.8953782341,0.0,-0.0408282312,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:O-Os-Sc-Sr,10.0,A6BCD2_cF40_225_e_a_b_c:O-Os-Sc-Sr +mp-23539,KSn2Cl5,-3.9345326656,-1.638004421,0.0,-0.0217500587,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Cl-K-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:Cl-K-Sn, expected KSn2Cl9 to be KSn2Cl5" +mp-568970,K3SnIrCl8,-4.0913000962,-1.7091850072,0.0320562148,0.0320562148,GGA,Pmn2_1,A8BC3D_oP26_31_4a2b_a_ab_a:Cl-Ir-K-Sn,26.0,"Invalid WP multiplicities - A8BC3D_oP26_31_7a5b_a_a2b_a:Cl-Ir-K-Sn, expected K5SnIrCl17 to be K3SnIrCl8" +mp-675541,K2Sn5Cl12,-3.8570490147,-1.517517589,0.0832641975,0.0832641975,GGA,Pm,A12B2C5_mP38_6_6a6b6c_2a2b_2a2b3c:Cl-K-Sn,38.0,A12B2C5_mP38_6_6a6b6c_2a2b_2a2b3c:Cl-K-Sn +mp-571453,K2SnCl6,-3.7889904467,-1.8643693679,0.0,-0.0678215433,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Cl-K-Sn,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_9e_e_a:Cl-K-Sn, expected K2SnCl18 to be K2SnCl6" +mp-570173,K2SnCl6,-3.7824777367,-1.8578566579,0.00651271,-0.0613088333,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Cl-K-Sn,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_4e4h_d_a:Cl-K-Sn, expected K2SnCl24 to be K2SnCl6" +mp-23499,K2SnCl6,-3.7816461667,-1.8570250879,0.00734428,-0.0604772633,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Sn,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Sn +mp-541141,K3IrCl6,-4.0831285707,-1.7570434726,0.0,-0.0184902647,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Cl-Ir-K,40.0,A6BC3_mP40_14_6e_ad_3e:Cl-Ir-K +mp-1173377,NdPaO4,-9.7900850092,-4.1118238529,0.0,-0.4977244052,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Nd-O-Pa,12.0,AB4C_tI24_141_a_f_b:Nd-O-Pa +mp-1186284,Nd3Pa,-5.65941207,0.2953646694,0.2953646694,0.2953646694,GGA,I4/mmm,A3B_tI8_139_ad_b:Nd-Pa,4.0,A3B_tI8_139_ad_b:Nd-Pa +mp-1186285,Nd3Pa,-5.6471931263,0.3075836131,0.3075836131,0.3075836131,GGA,P6_3/mmc,A3B_hP8_194_h_c:Nd-Pa,8.0,A3B_hP8_194_h_c:Nd-Pa +mp-974754,NdPa3,-8.0716540625,0.2563812906,0.2563812906,0.2563812906,GGA,Pm-3m,AB3_cP4_221_a_c:Nd-Pa,4.0,AB3_cP4_221_a_c:Nd-Pa +mp-1205708,Ba2NdPaO6,-8.427540719,-3.647451295,0.0,-0.0506454415,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Pa +mp-1218005,Ta2Ti2(CuO4)3,-8.4241864237,-2.5734272743,0.0597763697,0.0597763697,GGA,C2/m,A3B12C2D2_mC38_12_abc_2i2j_f_e:Cu-O-Ta-Ti,19.0,A3B12C2D2_mC38_12_abc_2i2j_e_f:Cu-O-Ta-Ti +mp-1112131,Cs2RbAsI6,-2.849855636,-1.2227901038,0.0334988765,0.0334988765,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-Rb +mp-1111832,CsRb2AsI6,-2.794129332,-1.1585506298,0.0898217095,0.0898217095,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cs-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cs-I-Rb +mp-1226711,CeB4(IrOs)2,-8.58561197,-0.4986942524,0.0052473433,0.0052473433,GGA,P4_2,A4BC2D2_tP18_77_2d_c_d_d:B-Ce-Ir-Os,18.0,A4BC2D2_tP18_77_2d_c_d_d:B-Ce-Ir-Os +mp-1080734,Ce(BOs)2,-8.829103363,-0.4797818517,0.0,-0.057492614,GGA,Fddd,A2BC2_oF40_70_e_a_f:B-Ce-Os,10.0,A2BC2_oF40_70_e_a_f:B-Ce-Os +mp-1226564,CeIrOs,-9.1818323483,-0.5155354267,0.0063315417,0.0063315417,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Ir-Os,6.0,ABC_oI12_74_e_a_c:Ce-Ir-Os +mp-1188930,Ce(BOs)4,-9.0423160872,-0.4245243141,0.0,-0.0527100367,GGA,P4_2/n,A4BC4_tP18_86_g_a_g:B-Ce-Os,18.0,A4BC4_tP18_86_g_a_g:B-Ce-Os +mp-1542856,ZnCoF5,-4.7934377414,-2.2326582782,0.1166184239,0.1166184239,GGA+U,P-1,AB5C_aP14_2_bc_5i_i:Co-F-Zn,14.0,"Invalid WP multiplicities - AB5C_aP14_2_bc_9i_i:Co-F-Zn, expected ZnCoF9 to be ZnCoF5" +mvc-14327,ZnCoF5,-4.8760998807,-2.3153204175,0.0339562846,0.0339562846,GGA+U,Cc,AB5C_mC28_9_a_5a_a:Co-F-Zn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Co-F-Zn, expected ZnCoF7 to be ZnCoF5" +mp-1377161,ZnCoF5,-4.7778080146,-2.2170285514,0.1322481507,0.1322481507,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Co-F-Zn,28.0,AB5C_mP28_14_e_5e_e:Co-F-Zn +mp-1392222,ZnCoF5,-4.779896515,-2.2191170518,0.1301596504,0.1301596504,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Co-F-Zn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Co-F-Zn, expected ZnCoF7 to be ZnCoF5" +mp-1392127,ZnCoF4,-5.0370779808,-2.3680817683,0.1092354308,0.1092354308,GGA+U,C2/c,AB4C_mC24_15_c_2f_e:Co-F-Zn,12.0,"Invalid WP multiplicities - AB4C_mC24_15_a_7f_e:Co-F-Zn, expected ZnCoF14 to be ZnCoF4" +mp-1225874,CsZnCoF6,-4.8282919333,-2.5246988687,0.0,-0.0224671082,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Co-Cs-F-Zn,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Co-Cs-F-Zn, expected CsZnCoF12 to be CsZnCoF6" +mp-1392030,ZnCoF6,-4.5867449288,-2.1071280275,0.0,-0.0515109131,GGA+U,R-3,AB6C_hR24_148_a_f_b:Co-F-Zn,8.0,AB6C_hR24_148_a_f_b:Co-F-Zn +mp-542024,Sc2GaB2Rh5,-7.478144771,-0.8908090586,0.0,-0.0883361051,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Rh-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Ga-Rh-Sc +mp-867928,ScGaRh2,-6.9957557225,-0.9734605056,0.0,-0.1178751775,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Rh-Sc,4.0,AB2C_cF16_225_a_c_b:Ga-Rh-Sc +mp-1095864,Sc2GaRh,-3.928409585,1.8359259406,2.652782075,2.652782075,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Rh-Sc,4.0,ABC2_oI8_71_a_b_e:Ga-Rh-Sc +mp-1193571,Sc6Ga16Rh7,-5.4380733862,-0.6796421421000001,0.0057566646,0.0057566646,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Sc,29.0,A16B7C6_cF116_225_2f_ad_e:Ga-Rh-Sc +mp-541707,K6Na3AlSb4,-2.7027735368,-0.4962342259,0.0,-0.0414641374,GGA,P6_3/mmc,AB6C3D4_hP28_194_c_k_h_ah:Al-K-Na-Sb,28.0,AB6C3D4_hP28_194_c_k_h_ah:Al-K-Na-Sb +mp-552016,YbBi2BrO4,-5.8904825238,-2.0704363094,0.0212204356,0.0212204356,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Yb,,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Yb +mp-1194412,Pb3Se2(BrO3)2,-5.3668765185,-1.4502647421,0.0,-0.0184978279,GGA,C2/c,A2B6C3D2_mC52_15_f_3f_ef_f:Br-O-Pb-Se,26.0,A2B6C3D2_mC52_15_f_3f_ef_f:Br-O-Pb-Se +mp-630927,Pb4SeBr6,-3.7109955418,-1.1960255657,0.0528094002,0.0528094002,GGA,Cm,A6B4C_mC22_8_6a_4a_a:Br-Pb-Se,11.0,A6B4C_mC22_8_6a_4a_a:Br-Pb-Se +mp-655489,Pb4SeBr6,-3.7100767618,-1.1951067857,0.0537281802,0.0537281802,GGA,Imm2,A6B4C_oI22_44_3c_abc_a:Br-Pb-Se,11.0,"Invalid WP multiplicities - A6B4C_oI22_44_3c_ab2c_a:Br-Pb-Se, expected Pb6SeBr6 to be Pb4SeBr6" +mp-977555,MgNbRh2,-7.097649475,-0.4900992675,0.0,-0.0542776828,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Nb-Rh,4.0,ABC2_cF16_225_a_b_c:Mg-Nb-Rh +mp-2219702,MgNb2(RhO4)2,-8.0339785631,-2.1797465969,0.2495364885,0.2495364885,GGA,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Rh,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Rh +mp-1041195,CaHoCr2O6,-8.464297251,-2.9068736553,0.0513133789,0.0513133789,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Cr-Ho-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_31_a_b_a_4a4b:Ca-Cr-Ho-O, expected CaHoCr2O12 to be CaHoCr2O6" +mp-1213849,CeTl(MoO4)2,-8.135793196,-2.3390813451,0.0367670098,0.0367670098,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Ce-Mo-O-Tl,48.0,AB2C8D_oP48_60_c_d_4d_c:Ce-Mo-O-Tl +mp-558907,CsCu(BiS2)2,-4.4508171556,-0.7981438094000001,0.023374031,0.023374031,GGA,Cmc2_1,A2BCD4_oC32_36_2a_a_a_4a:Bi-Cs-Cu-S,16.0,"Invalid WP multiplicities - A2BCD4_oC32_36_2a_a_a_6a:Bi-Cs-Cu-S, expected CsCu(BiS3)2 to be CsCu(BiS2)2" +mp-669419,Cs3Cu2(BiS2)5,-4.4179739645,-0.8453957258,0.0110392671,0.0110392671,GGA,Pnnm,A5B3C2D10_oP40_58_a2g_cg_g_5g:Bi-Cs-Cu-S,40.0,"Invalid WP multiplicities - A5B3C2D10_oP40_58_a6g_2cg_g_16g:Bi-Cs-Cu-S, expected Cs4Cu2Bi13S32 to be Cs3Cu2(BiS2)5" +mp-557540,Rb2AgSbS4,-4.0732688203,-0.8897157133,0.0,-0.0008055153,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Ag-Rb-S-Sb,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_5e_13e_e:Ag-Rb-S-Sb, expected Rb5AgSbS13 to be Rb2AgSbS4" +mp-1219697,Rb3Ag9(SbS3)4,-3.9624535214,-0.5843103211,0.0014321088,0.0014321088,GGA,I-4,A9B3C12D4_tI56_82_c2g_ae_3g_g:Ag-Rb-S-Sb,28.0,"Invalid WP multiplicities - A9B3C12D4_tI56_82_c3g_ae_4g_g:Ag-Rb-S-Sb, expected Rb3Ag13(SbS4)4 to be Rb3Ag9(SbS3)4" +mp-17756,RbAg2SbS4,-4.0514300892,-0.6363742408,0.0,-0.004582748,GGA,P3_221,A2BC4D_hP24_154_c_a_2c_b:Ag-Rb-S-Sb,24.0,A2BC4D_hP24_154_c_a_2c_b:Ag-Rb-S-Sb +mp-1204373,TmSbMo2O9,-8.1341608931,-2.3790581789,0.0212220888,0.0212220888,GGA+U,C2/c,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Tm,52.0,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Tm +mp-1228738,AsPtS,-5.5043950233,-0.548827826,0.0523216379,0.0523216379,GGA,P2_13,ABC_cP12_198_a_a_a:As-Pt-S,12.0,ABC_cP12_198_a_a_a:As-Pt-S +mp-1078511,CuAsPtS2,-5.196881147,-0.5764095213,0.0,-0.0376250076,GGA,Cmc2_1,ABCD2_oC20_36_a_a_a_2a:As-Cu-Pt-S,10.0,ABCD2_oC20_36_a_a_a_2a:As-Cu-Pt-S +mp-1215344,Zr8AgPd3,-7.61935695,-0.3898730772,0.0030579608,0.0030579608,GGA,P4/mmm,AB3C8_tP12_123_a_bh_2g2h:Ag-Pd-Zr,12.0,"Invalid WP multiplicities - AB3C8_tP12_123_a_b2h_3g4h:Ag-Pd-Zr, expected Zr14AgPd5 to be Zr8AgPd3" +mp-14651,Zr2AgPdF11,-6.2058725,-3.1302653189,0.0,-0.0123960521,GGA,C2/m,AB11CD2_mC30_12_c_bh2ij_a_i:Ag-F-Pd-Zr,15.0,AB11CD2_mC30_12_c_ah2ij_b_i:Ag-F-Pd-Zr +mp-1223929,InCuGeS4,-4.7066694314,-0.7038526139,0.0,-0.0020824458,GGA,I-4,ABCD4_tI14_82_a_c_b_g:Cu-Ge-In-S,7.0,ABCD4_tI14_82_a_c_b_g:Cu-Ge-In-S +mp-570961,CdBiSe2I,-3.390639813,-0.7449261739,0.0448676233,0.0448676233,GGA,C2/m,ABCD2_mC20_12_i_ac_i_2i:Bi-Cd-I-Se,10.0,ABCD2_mC20_12_i_ad_i_2i:Bi-Cd-I-Se +mp-1223353,KRb(InAu2)4,-3.0784864957,-0.2721490715,0.0054656189,0.0054656189,GGA,I422,A8B4CD_tI28_97_k_j_a_b:Au-In-K-Rb,14.0,A8B4CD_tI28_97_k_j_a_b:Au-In-K-Rb +mp-9912,Li2CeP2,-5.11569143,-1.0001834497,0.0,-0.0166574933,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ce-Li-P,5.0,AB2C2_hP5_164_a_d_d:Ce-Li-P +mp-1018784,LiCe(CuP)2,-5.2575667267,-0.7797283308,0.0,-0.0427370206,GGA,P-3m1,AB2CD2_hP6_164_a_d_b_d:Ce-Cu-Li-P,6.0,AB2CD2_hP6_164_a_d_b_d:Ce-Cu-Li-P +mp-1178753,VZnCu3Se4,-4.5734487278,-0.504013661,0.2064384983,0.2064384983,GGA,P-43m,A3B4CD_cP9_215_c_e_b_a:Cu-Se-V-Zn,9.0,A3B4CD_cP9_215_c_e_b_a:Cu-Se-V-Zn +mp-17443,Cs2FeO4,-5.7359521657,-1.443440623,0.0,-0.0316732929,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Fe-O,28.0,A2BC4_oP28_62_2c_c_2cd:Cs-Fe-O +mp-1201612,CsFeO2,-6.5010295187,-1.6863292676,0.0487418438,-0.03679837,GGA+U,Pbca,ABC2_oP64_61_2c_2c_4c:Cs-Fe-O,64.0,ABC2_oP64_61_2c_2c_4c:Cs-Fe-O +mp-1080749,CsFeO2,-6.5497713625,-1.7350711114,0.0,-0.0855402138,GGA+U,Fd-3m,ABC2_cF32_227_b_a_c:Cs-Fe-O,8.0,ABC2_cF32_227_b_a_c:Cs-Fe-O +mp-1201003,Cs4FeO4,-5.0418960133,-1.5042976196,0.0,-0.0226731081,GGA+U,P2_1/c,A4BC4_mP36_14_4e_e_4e:Cs-Fe-O,36.0,A4BC4_mP36_14_4e_e_4e:Cs-Fe-O +mp-1213695,Cs4Rb2Fe2O5,-5.0540660258,-1.4220534404,0.0,-0.0042129186,GGA+U,C2/m,A4B2C5D2_mC26_12_gi_i_aj_h:Cs-Fe-O-Rb,26.0,A4B2C5D2_mC26_12_gi_i_aj_h:Cs-Fe-O-Rb +mp-1205381,Cs4FeO3,-4.7392033544,-1.3777412504,0.0,-0.0050293143,GGA+U,P-1,A4BC3_aP16_2_4i_i_3i:Cs-Fe-O,32.0,A4BC3_aP16_2_4i_i_3i:Cs-Fe-O +mp-1105876,Cs6Fe2O5,-5.0225901715,-1.4036747709,0.0050433058,0.001721199,GGA+U,Cm,A6B2C5_mC26_8_2a2b_2a_a2b:Cs-Fe-O,13.0,A6B2C5_mC26_8_2a2b_2a_a2b:Cs-Fe-O +mp-505147,Cs6Fe2O5,-5.0276334773,-1.4087180766,0.0,-0.0033221068,GGA+U,C2/m,A6B2C5_mC26_12_ghi_i_aj:Cs-Fe-O,26.0,A6B2C5_mC26_12_ghi_i_aj:Cs-Fe-O +mp-1198676,Cs8Fe2O7,-4.9462322106,-1.4915214826,0.0049577424,0.0049577424,GGA+U,P2_1/c,A8B2C7_mP34_14_4e_e_a3e:Cs-Fe-O,34.0,A8B2C7_mP34_14_4e_e_a3e:Cs-Fe-O +mp-562735,Cs5FeO4,-4.725503878,-1.4521250865,0.0046569552,-0.00597371,GGA+U,P2_1/c,A5BC4_mP40_14_5e_e_4e:Cs-Fe-O,40.0,A5BC4_mP40_14_5e_e_4e:Cs-Fe-O +mp-1201412,Cs5FeO4,-4.7301608332,-1.4567820417,0.0,-0.0106306653,GGA+U,P2_1/c,A5BC4_mP40_14_5e_e_4e:Cs-Fe-O,40.0,A5BC4_mP40_14_5e_e_4e:Cs-Fe-O +mp-1191216,Cs4Fe2O5,-5.7371196527,-1.623020065,0.0,-0.0036918057,GGA+U,C2/c,A4B2C5_mC44_15_2ef_f_c2f:Cs-Fe-O,22.0,A4B2C5_mC44_15_2ef_f_a2f:Cs-Fe-O +mp-1193066,Cs3FeO3,-5.2669458382,-1.5531894868,0.0,-0.0093303852,GGA+U,P2_1/c,A3BC3_mP28_14_3e_e_3e:Cs-Fe-O,28.0,A3BC3_mP28_14_3e_e_3e:Cs-Fe-O +mp-554363,Pr2Ti3(ClO4)2,-8.5958891632,-3.4946311252,0.0,-0.0096377332,GGA,Pbcn,A2B8C2D3_oP60_60_d_4d_d_cd:Cl-O-Pr-Ti,60.0,"Invalid WP multiplicities - A2B8C2D3_oP60_60_d_26d_d_2c2d:Cl-O-Pr-Ti, expected PrTi3ClO26 to be Pr2Ti3(ClO4)2" +mp-1209739,Pr3TiCl5O4,-7.174127,-3.2304618133,0.0265111228,0.0265111228,GGA,Pnma,A5B4C3D_oP52_62_5c_4c_3c_c:Cl-O-Pr-Ti,52.0,A5B4C3D_oP52_62_5c_4c_3c_c:Cl-O-Pr-Ti +mp-21567,SmAl3(PbO4)2,-7.4801944905,-2.9834718152,0.0,-0.0020757301,GGA,Pn-3m,A3B8C2D_cP56_224_f_ek_e_b:Al-O-Pb-Sm,56.0,"Invalid WP multiplicities - A3B8C2D_cP56_224_f_5e6k_e_b:Al-O-Pb-Sm, expected SmAl3(PbO23)2 to be SmAl3(PbO4)2" +mp-778141,Sm2Pb2O7,-7.1153127768,-2.4344684688,0.0306724933,0.0306724933,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Pb-Sm,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_27e_3e_3e:O-Pb-Sm, expected SmPbO9 to be Sm2Pb2O7" +mp-23536,SbI3Cl8,-2.7845552817,-0.8397724842000001,0.0,-0.0111654065,GGA,P-1,A8B3C_aP12_2_4i_bi_c:Cl-I-Sb,12.0,A8B3C_aP12_2_4i_bi_c:Cl-I-Sb +mp-569512,SbICl8,-3.0061497,-0.967083613,0.0,-0.147104391,GGA,P4_1,A8BC_tP40_76_8a_a_a:Cl-I-Sb,40.0,"Invalid WP multiplicities - A8BC_tP40_76_30a_a_a:Cl-I-Sb, expected SbICl30 to be SbICl8" +mp-570962,SbI3(BrCl3)2,-2.7065400217,-0.8110086125,0.0,-0.0327547318,GGA,P-1,A2B6C3D_aP12_2_i_3i_bi_c:Br-Cl-I-Sb,12.0,"Invalid WP multiplicities - A2B6C3D_aP12_2_i_5i_b2i_c:Br-Cl-I-Sb, expected SbI5(BrCl5)2 to be SbI3(BrCl3)2" +mp-1247031,MgTiCoS4,-5.9632360586,-1.227537583,0.1464170658,0.1464170658,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Mg-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Co-Mg-S-Ti, expected MgTiCoS12 to be MgTiCoS4" +mp-1246906,Mg2Ti3CoS8,-6.215205065,-1.4232798593,0.1231173492,0.1231173492,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Mg-S-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Co-Mg-S-Ti, expected Mg2Ti3CoS16 to be Mg2Ti3CoS8" +mp-1246845,Mg2TiCo3S8,-5.7342206236,-1.0547488781,0.1320252204,0.1320252204,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Mg-S-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Mg-S-Ti, expected Mg2TiCo3S22 to be Mg2TiCo3S8" +mp-1028031,Mg14TiCo,-2.2410038675,0.0969792895,0.1610131162,0.1610131162,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Ti, expected Mg18TiCo to be Mg14TiCo" +mp-1027684,Mg14TiCo,-2.2161087188,0.1218744382,0.1859082649,0.1859082649,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Ti, expected Mg26TiCo to be Mg14TiCo" +mp-1022027,Mg6TiCo,-2.9324609125,0.1432253515,0.2553286407,0.2553286407,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Ti, expected Mg12TiCo to be Mg6TiCo" +mp-1022060,Mg6TiCo,-2.8821860150000003,0.193500249,0.3056035382,0.3056035382,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Ti, expected Mg12TiCo to be Mg6TiCo" +mp-1093966,MgTiCo2,-3.617935195,2.3101667192,2.5451393036,2.5451393036,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Mg-Ti,4.0,A2BC_oI8_71_e_a_b:Co-Mg-Ti +mp-1185975,MgTiCo2,-6.14530704,-0.2172051258,0.0177674586,0.0177674586,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mg-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Mg-Ti +mp-1198032,CsBr2F7,-3.4530767107,-1.7148955303,0.0,-0.0207117792,GGA,P2_1/c,A2BC7_mP40_14_2e_e_7e:Br-Cs-F,40.0,A2BC7_mP40_14_2e_e_7e:Br-Cs-F +mp-1103152,CsBrF4,-3.6637597017,-1.9813686063,0.0,-0.0538496836,GGA,Immm,ABC4_oI24_71_ab_f_egn:Br-Cs-F,12.0,ABC4_oI24_71_ab_f_egn:Br-Cs-F +mp-541226,CsBrF6,-3.6239318925,-1.8842688291,0.0,-0.1665115306,GGA,R-3,ABC6_hR24_148_a_b_f:Br-Cs-F,8.0,ABC6_hR24_148_a_b_f:Br-Cs-F +mp-22935,CsBrF,-3.4393164767,-1.9860132535,0.1252759802,0.1252759802,GGA,I4/mmm,ABC_tI12_139_e_e_e:Br-Cs-F,6.0,ABC_tI12_139_e_e_e:Br-Cs-F +mp-28650,CsBr2F,-3.00950372,-1.5312692201,0.2143726128,0.2143726128,GGA,P4/mmm,A2BC_tP4_123_g_c_a:Br-Cs-F,4.0,A2BC_tP4_123_g_c_a:Br-Cs-F +mp-29513,CsXeF7,-2.9916517239,-1.4014373556,0.0,-0.150946584,GGA,P2_13,AB7C_cP36_198_a_a2b_a:Cs-F-Xe,36.0,"Invalid WP multiplicities - AB7C_cP36_198_a_a3b_a:Cs-F-Xe, expected CsXeF10 to be CsXeF7" +mp-581165,Cs2Xe(BrF7)4,-3.2385064035,-1.47963488,0.0020153425,0.0020153425,GGA,Pnma,A4B2C28D_oP140_62_2cd_d_6c11d_c:Br-Cs-F-Xe,140.0,"Invalid WP multiplicities - A4B2C28D_oP140_62_7c4d_d_24c80d_c:Br-Cs-F-Xe, expected Cs2XeBr15F184 to be Cs2Xe(BrF7)4" +mp-1198961,TlCo(BrN)6,-3.9658228079,0.9490415115,1.3505857441,1.3505857441,GGA,Pa-3,A6BC6D_cP56_205_d_a_d_b:Br-Co-N-Tl,56.0,A6BC6D_cP56_205_d_a_d_b:Br-Co-N-Tl +mp-1208425,TlBr4N,-2.9882629033,-0.1697210047,0.4011767421,0.4011767421,GGA,Pnna,A4BC_oP24_52_2e_d_c:Br-N-Tl,24.0,A4BC_oP24_52_2e_d_c:Br-N-Tl +mp-1110758,K2RbCeCl6,-4.381332828,-2.3587687199,0.1154056411,0.1154056411,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-Cl-K-Rb +mp-756224,TbGdO3,-10.555826073,-3.8457151783,0.0945441354,0.0945441354,GGA,Pnma,AB3C_oP20_62_c_cd_a:Gd-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Gd-O-Tb, expected TbGdO7 to be TbGdO3" +mp-1217806,Tb2GdGa5O12,-7.8507483303,-2.9584683759,3.86982e-05,3.86982e-05,GGA,I4_122,A5BC12D2_tI160_98_c2fg_f_6g_abf:Ga-Gd-O-Tb,80.0,"Invalid WP multiplicities - A5BC12D2_tI160_98_2c4fg_f_12g_abf:Ga-Gd-O-Tb, expected Tb2Gd(GaO3)8 to be Tb2GdGa5O12" +mp-1217722,TbGd2Ga5O12,-8.3106904432,-2.9463226819,0.0,-0.0002918479,GGA,I4_122,A5B2C12D_tI160_98_c2fg_abf_6g_f:Ga-Gd-O-Tb,80.0,"Invalid WP multiplicities - A5B2C12D_tI160_98_2c4fg_abf_12g_f:Ga-Gd-O-Tb, expected TbGd2(GaO3)8 to be TbGd2Ga5O12" +mp-504611,Cs2NaFeF6,-5.2387569835,-2.9335344782,0.0,-0.0325973713,GGA+U,R-3m,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Fe-Na,20.0,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Fe-Na +mp-556320,Cs2NaFeF6,-5.235840075,-2.9306175697,0.0029169085,-0.0296804628,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-Na +mp-1188236,Gd2MgIrO6,-9.7441059745,-2.9169968768,0.0204210785,0.0204210785,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Gd-Ir-Mg-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Gd-Ir-Mg-O +mp-28189,FeSeCl7,-3.7747576294,-1.0074588175,0.0,-0.0260938321,GGA,P1,A7BC_aP18_1_14a_2a_2a:Cl-Fe-Se,18.0,A7BC_aP18_1_14a_2a_2a:Cl-Fe-Se +mp-1247463,Fe4Se3N2,-7.0272254789,-0.2449133541,0.2310350628,0.2310350628,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Fe-N-Se,9.0,A4B2C3_mC18_12_2i_i_ai:Fe-N-Se +mp-1247160,Fe4Se3N2,-6.8876563489,-0.1053442241,0.3706041928,0.3706041928,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Fe-N-Se,18.0,A4B2C3_oP18_58_2g_g_ag:Fe-N-Se +mp-1245425,Fe4Se3N2,-7.0319022661,-0.2495901413,0.2263582756,0.2263582756,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Fe-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:Fe-N-Se +mp-1069054,Fe(NCl)2,-4.89858778,0.8694290960000001,1.544904796,1.544904796,GGA,Cmmm,A2BC2_oC10_65_h_a_i:Cl-Fe-N,5.0,A2BC2_oC10_65_h_a_i:Cl-Fe-N +mp-1097773,Fe(NCl)2,-4.824402494,0.943614382,1.619090082,1.619090082,GGA,Cmmm,A2BC2_oC10_65_h_a_i:Cl-Fe-N,5.0,A2BC2_oC10_65_h_a_i:Cl-Fe-N +mp-1071360,FeSeN,-5.933824615,0.8336512559,1.2733886817,1.2733886817,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-N-Se,6.0,ABC_tP6_129_a_c_c:Fe-N-Se +mp-1204351,FeN3Cl5,-4.1202596953,0.6266502253,1.1808745786,1.1808745786,GGA,Pnma,A5BC3_oP36_62_3cd_c_cd:Cl-Fe-N,36.0,A5BC3_oP36_62_3cd_c_cd:Cl-Fe-N +mp-1204897,FeN3Cl5,-4.2323080694,0.5146018511,1.0688262044,1.0688262044,GGA,Pnma,A5BC3_oP36_62_3cd_c_cd:Cl-Fe-N,36.0,A5BC3_oP36_62_3cd_c_cd:Cl-Fe-N +mp-568653,FeSe2NCl6,-4.0303114938,-0.5413555887,0.2721879312,0.2721879312,GGA,P2_1/c,A6BCD2_mP40_14_6e_e_e_2e:Cl-Fe-N-Se,40.0,"Invalid WP multiplicities - A6BCD2_mP40_14_20e_e_e_6e:Cl-Fe-N-Se, expected FeSe6NCl20 to be FeSe2NCl6" +mp-1212990,FeNCl3,-4.316914687,0.153510536,1.0852589547,1.0852589547,GGA,P6_3mc,A3BC_hP10_186_c_a_b:Cl-Fe-N,10.0,A3BC_hP10_186_c_a_b:Cl-Fe-N +mp-1080474,FeNCl3,-4.307550664,0.162874559,1.0946229777,1.0946229777,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Fe-N,10.0,A3BC_hP10_194_h_a_c:Cl-Fe-N +mp-1147711,Ba4Pd3BrO6,-5.8028916793,-1.9136984088,0.1709582745,0.1709582745,GGA,Im-3m,A4BC6D3_cI28_229_c_a_d_b:Ba-Br-O-Pd,14.0,A4BC6D3_cI28_229_c_a_d_b:Ba-Br-O-Pd +mp-1113142,Cs2ScHgF6,-5.118891472,-3.1293086701,0.0891559595,0.0891559595,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Sc +mp-1110897,K2NaBiBr6,-3.331560067,-1.6613618373,0.043217727,0.043217727,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Br-K-Na +mp-1105158,Sr2ScGaO5,-7.3637110939,-3.2000449172,0.0,-0.0225962735,GGA,Ima2,AB5CD2_oI36_46_b_b2c_a_c:Ga-O-Sc-Sr,18.0,AB5CD2_oI36_46_b_b2c_a_c:Ga-O-Sc-Sr +mp-1206653,Hg4SbO6,-3.9193401036,-0.7353532884,0.2894364322,0.2894364322,GGA,P-1,A4B6C_aP11_2_2i_3i_a:Hg-O-Sb,11.0,"Invalid WP multiplicities - A4B6C_aP11_2_3i_5i_a:Hg-O-Sb, expected Hg6SbO10 to be Hg4SbO6" +mp-1181099,Hg4SbO6,-3.9176404073,-0.733653592,0.2911361285,0.2911361285,GGA,Cm,A4B6C_mC22_8_2b_2a2b_a:Hg-O-Sb,11.0,"Invalid WP multiplicities - A4B6C_mC22_12_3g_2i2j_a:Hg-O-Sb, expected Hg6SbO12 to be Hg4SbO6" +mp-1102674,Hg4SbO6,-3.9175831464,-0.7335963311,0.2911933894,0.2911933894,GGA,C2/m,A4B6C_mC22_12_2g_ij_a:Hg-O-Sb,11.0,"Invalid WP multiplicities - A4B6C_mC22_12_2g_2ij_a:Hg-O-Sb, expected Hg4SbO8 to be Hg4SbO6" +mp-557697,Hg2Sb2O7,-5.4227875805,-1.4689526542,0.0,-0.0258203598,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Hg-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Hg-O-Sb, expected HgSbO10 to be Hg2Sb2O7" +mp-1194068,Ag5HgSbO6,-4.5274187385,-0.8139115162,0.0,-0.0060974669,GGA,P-31c,A5BC6D_hP26_163_eg_c_i_d:Ag-Hg-O-Sb,26.0,A5BC6D_hP26_163_eg_c_i_d:Ag-Hg-O-Sb +mp-12362,AgHg3SbO6,-4.4230373259,-1.0091527254,0.0041041689,0.0041041689,GGA,R-3c,AB3C6D_hR66_167_a_e_f_b:Ag-Hg-O-Sb,22.0,AB3C6D_hR66_167_a_e_f_b:Ag-Hg-O-Sb +mp-768291,Hg(SbO3)2,-5.775640035,-1.5265494669000002,0.0953479006,0.0367054131,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Hg-O-Sb,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_3f2j_e:Hg-O-Sb, expected Hg(SbO7)2 to be Hg(SbO3)2" +mp-754065,Hg(SbO3)2,-5.8709879356,-1.6218973675,0.0,-0.0586424875,GGA,P-31m,AB6C2_hP9_162_a_k_d:Hg-O-Sb,9.0,AB6C2_hP9_162_a_k_d:Hg-O-Sb +mp-559614,Sr2ZnReO6,-7.2368156145,-2.5604766176,0.0411003143,0.0411003143,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Re-Sr-Zn,20.0,"Invalid WP multiplicities - A6BC2D_mP20_14_8e_a_e_d:O-Re-Sr-Zn, expected Sr2ZnReO16 to be Sr2ZnReO6" +mp-548691,Sr2ZnReO6,-7.234548502,-2.5582095051,0.0433674268,0.0433674268,GGA,I4/m,A6BC2D_tI20_87_eh_a_d_b:O-Re-Sr-Zn,10.0,A6BC2D_tI20_87_eh_a_d_b:O-Re-Sr-Zn +mp-1225329,Dy2NbGaO7,-8.4923313418,-3.3132590035,0.0819204796,0.0819204796,GGA,Imma,A2BCD7_oI44_74_ac_b_d_3ej:Dy-Ga-Nb-O,22.0,"Invalid WP multiplicities - A2BCD7_oI44_74_ac_b_d_5e2j:Dy-Ga-Nb-O, expected Dy2NbGaO13 to be Dy2NbGaO7" +mp-1222275,LiTlO2,-4.95789524,-1.416659381,0.0686699481,0.0686699481,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-O-Tl,4.0,AB2C_tP4_123_a_bc_d:Li-O-Tl +mp-8179,LiTlO2,-5.0031259225,-1.4618900635,0.0234392656,0.0234392656,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-Tl,8.0,AB2C_tI16_141_a_e_b:Li-O-Tl +mp-1235917,LiTl6Si2O7,-5.5662730737,-1.7186331497,0.20140105,0.20140105,GGA,P1,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl,16.0,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl +mp-1235978,LiTl6Si2O7,-5.582819645,-1.7351797209000002,0.1848544788,0.1848544788,GGA,P1,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl,16.0,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl +mp-1236190,LiTl6Si2O7,-5.5556823538,-1.7080424297,0.21199177,0.21199177,GGA,P1,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl,16.0,AB7C2D6_aP16_1_a_7a_2a_6a:Li-O-Si-Tl +mp-1235354,LiTl6Si2O7,-5.4930127081,-1.645372784,0.2746614156,0.2746614156,GGA,P3,AB7C2D6_hP16_143_b_a2d_ac_2d:Li-O-Si-Tl,16.0,AB7C2D6_hP16_143_b_a2d_ac_2d:Li-O-Si-Tl +mp-27483,Li5TlO4,-5.0353276191,-1.8659263866,0.0,-0.0432268099,GGA,P4_2/nmc,A5B4C_tP80_137_abd2fh_2gh_g:Li-O-Tl,80.0,"Invalid WP multiplicities - A5B4C_tP80_137_abd3f3h_5gh_g:Li-O-Tl, expected Li10TlO7 to be Li5TlO4" +mp-1208736,Sr2ScBiO6,-7.121753455,-2.7985457141000003,0.0031858298,0.0031858298,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sc-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sc-Sr +mp-1047076,Zn2CrIrO6,-6.70115098,-1.6320408663,0.11656953,0.11656953,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cr-Ir-O-Zn,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_d_10e_e:Cr-Ir-O-Zn, expected Zn2CrIrO20 to be Zn2CrIrO6" +mp-1217249,UCu2(SiNi4)2,-6.1610838477,-0.2701951669,0.0740071157,0.0740071157,GGA,Fmmm,A2B8C2D_oF52_69_c_2n_e_a:Cu-Ni-Si-U,13.0,A2B8C2D_oF52_69_c_2n_e_a:Cu-Ni-Si-U +mp-1217046,U2Cu3Si4Ni,-6.592752405,-0.356567522,0.0,-0.025463867,GGA,P-4m2,A3BC4D2_tP10_115_abc_d_2g_g:Cu-Ni-Si-U,10.0,"Invalid WP multiplicities - A3BC4D2_tP10_115_abc_d_4g_g:Cu-Ni-Si-U, expected U2Cu3Si8Ni to be U2Cu3Si4Ni" +mp-1216599,UCuSi2Ni,-6.8318554,-0.427577516,0.0,-0.007389226,GGA,I-4m2,ABC2D_tI10_119_a_b_f_c:Cu-Ni-Si-U,5.0,ABC2D_tI10_119_a_b_f_c:Cu-Ni-Si-U +mp-1049283,HoZn(BiO3)2,-6.471403339,-2.1510770382,0.0892531172,0.0892531172,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Bi-Ho-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Bi-Ho-O-Zn, expected HoZn(BiO6)2 to be HoZn(BiO3)2" +mp-1228841,CsCoCuS2,-4.807511694,-0.7323463798000001,0.0783854589,0.0783854589,GGA,I-4m2,ABCD2_tI10_119_a_c_b_f:Co-Cs-Cu-S,5.0,ABCD2_tI10_119_a_c_b_f:Co-Cs-Cu-S +mp-561685,CsYbCoS3,-4.9860686625,-1.3272889879,0.1407618497,0.1407618497,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Co-Cs-S-Yb,,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Co-Cs-S-Yb, expected CsYbCoS5 to be CsYbCoS3" +mp-9090,CsYbS2,-4.1918347825,-1.514857186,0.3267126225,0.3267126225,GGA,R-3m,AB2C_hR12_166_a_c_b:Cs-S-Yb,,AB2C_hR12_166_a_c_b:Cs-S-Yb +mp-1080087,CsYbS2,-4.1894846438,-1.5125070473000002,0.3290627612,0.3290627612,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cs-S-Yb,,AB2C_hP8_194_c_f_a:Cs-S-Yb +mp-559861,NbBi(TeO4)2,-7.0071690707,-2.0236761002,0.0,-0.0123360936,GGA,Pbca,ABC8D2_oP96_61_c_c_8c_2c:Bi-Nb-O-Te,96.0,"Invalid WP multiplicities - ABC8D2_oP96_61_c_c_55c_9c:Bi-Nb-O-Te, expected NbBiTe9O55 to be NbBi(TeO4)2" +mp-1220488,Nb6BiTe8,-6.5605205813000005,-0.5875361469,0.0685785247,0.0685785247,GGA,P-3,AB6C8_hP15_147_a_g_dg:Bi-Nb-Te,15.0,AB6C8_hP15_147_a_g_dg:Bi-Nb-Te +mp-1200315,NaCuMoO5,-6.7214832869,-1.5963800832,0.1140886679,0.1140886679,GGA+U,Pnma,ABCD5_oP32_62_a_c_c_3cd:Cu-Mo-Na-O,32.0,ABCD5_oP32_62_a_c_c_3cd:Cu-Mo-Na-O +mp-1210638,Na3Cu2(MoO4)3,-7.0476410068,-1.8444808025,0.0380848787,0.0380848787,GGA+U,C2/c,A2B3C3D12_mC80_15_f_ef_a2e_6f:Cu-Mo-Na-O,40.0,A2B3C3D12_mC80_15_f_ef_a2e_6f:Cu-Mo-Na-O +mp-556252,Na4Cu(MoO4)3,-7.0525866143,-1.9882604788,0.020555701,0.020555701,GGA+U,P-1,AB3C4D12_aP80_2_2i_6i_bc7i_24i:Cu-Mo-Na-O,80.0,"Invalid WP multiplicities - AB3C4D12_aP80_2_4i_8i_bc14i_46i:Cu-Mo-Na-O, expected Na15Cu4(Mo4O23)2 to be Na4Cu(MoO4)3" +mp-1226875,Cd4Si(SeS)3,-3.7454888064,-0.835128706,0.0680778809,0.0680778809,GGA,Cc,A4B3C3D_mC44_9_4a_3a_3a_a:Cd-S-Se-Si,22.0,A4B3C3D_mC44_9_4a_3a_3a_a:Cd-S-Se-Si +mp-13431,Dy2AlCo2,-5.829510002,-0.394352982,0.0,-0.047124022,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Co-Dy,5.0,AB2C2_oI10_71_a_f_h:Al-Co-Dy +mp-1225470,DyAlCo,-5.5242912758,-0.3707311208,0.0770674512,0.0770674512,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Dy,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Dy, expected Dy3(AlCo)2 to be DyAlCo" +mp-1191595,Dy3AlCoS7,-6.3127195579,-1.8436026235,0.0448098038,0.0448098038,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Dy-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Dy-S +mp-1225293,DyAlCo4,-6.3838117567,-0.2528727817,0.0686027683,0.0686027683,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Co-Dy,6.0,AB4C_oC12_65_a_eh_c:Al-Co-Dy +mp-1225308,DyAlCo4,-6.3842897767,-0.2533508017,0.0681247483,0.0681247483,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-Dy,6.0,AB4C_hP6_187_a_ck_e:Al-Co-Dy +mp-1225300,Dy2Al3Co,-5.0434124783,-0.4503093175,0.0320059193,0.0320059193,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Co-Dy,6.0,A3BC2_hR18_166_d_a_c:Al-Co-Dy +mp-1225315,Dy2AlCo3,-6.0229144917,-0.3088973425,0.0460682494,0.0460682494,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Co-Dy,6.0,AB3C2_hR18_166_a_d_c:Al-Co-Dy +mp-1219194,Sm6Ta2Ti4O21,-9.3455308818,-3.6640307887,0.0369097277,0.0369097277,GGA,C2/c,A21B6C2D4_mC132_15_3e9f_ac2f_f_bdf:O-Sm-Ta-Ti,66.0,"Invalid WP multiplicities - A21B6C2D4_mC132_15_5e30f_2a2c6f_f_2b2d2f:O-Sm-Ta-Ti, expected Sm16Ta2Ti8O65 to be Sm6Ta2Ti4O21" +mp-1225869,Gd4Fe34C3,-9.1025265924,-0.0300581393,0.0193915212,0.0193915212,GGA,P-1,A3B34C4_aP41_2_ci_ab16i_2i:C-Fe-Gd,,"Invalid WP multiplicities - A3B34C4_aP41_2_ci_ab30i_4i:C-Fe-Gd, expected Gd8Fe62C3 to be Gd4Fe34C3" +mp-1197388,Gd2Fe14C,-9.1835569579,-0.009368316,0.0395271162,0.0395271162,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Gd,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Gd +mp-1205624,GdFe2SiC,-9.606709624,-0.4726799875,0.0,-0.059402244,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Gd-Si,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Gd-Si +mp-1018176,GdFeC2,-10.4916431725,-0.2407745637,0.0,-0.091253481,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Fe-Gd,4.0,A2BC_oC8_38_d_a_b:C-Fe-Gd +mp-1191346,Gd2Fe17C3,-9.1539755477,-0.0708572965,0.0001065727,0.0001065727,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Gd,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Gd +mp-1225603,Gd2Fe17C,-9.085210956,-0.0166474289,0.0249136885,0.0249136885,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Gd,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i3j_i:C-Fe-Gd, expected Gd2Fe25C to be Gd2Fe17C" +mp-1219261,Sm(Fe5Si)2,-7.8557158023,-0.142682395,0.0958992208,0.0958992208,GGA,Fmmm,A10B2C_oF52_69_c2n_e_a:Fe-Si-Sm,13.0,A10B2C_oF52_69_c2n_e_a:Fe-Si-Sm +mp-1025262,Sm2Fe2Si2C,-7.2555378729,-0.6188926954,0.0,-0.0818799111,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Sm,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Sm +mp-1219239,Sm2Fe15Si2,-7.8989531258,-0.14431489,0.0366330116,0.0366330116,GGA,Cm,A15B2C2_mC38_8_5a5b_b_2a:Fe-Si-Sm,19.0,"Invalid WP multiplicities - A15B2C2_mC38_8_5a9b_b_2a:Fe-Si-Sm, expected Sm2Fe23Si2 to be Sm2Fe15Si2" +mp-1188924,Sm2Fe15Si2,-7.8003070074,-0.0456687716,0.13527913,0.13527913,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Si-Sm,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Si-Sm +mp-1219399,Sm2Fe20Si2C,-8.0617508192,-0.1050748983,0.0682150564,0.0682150564,GGA,P-1,AB20C2D2_aP25_2_d_ae9i_bg_i:C-Fe-Si-Sm,25.0,"Invalid WP multiplicities - AB20C2D2_aP25_2_d_ae17i_bg_i:C-Fe-Si-Sm, expected Sm2Fe36Si2C to be Sm2Fe20Si2C" +mp-1207071,SmFeSi2,-6.6779231913,-0.66811234,0.0,-0.0210719315,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Fe-Si-Sm,8.0,AB2C_mP8_11_e_2e_e:Fe-Si-Sm +mp-1019100,SmFeSi,-6.77764348,-0.5730016883,0.0,-0.0559112988,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Si-Sm,6.0,ABC_tP6_129_a_c_c:Fe-Si-Sm +mp-1200246,Sm2Fe3Si5,-6.8222905505,-0.6249079455000001,0.0047777997,0.0047777997,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Sm,40.0,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Sm +mp-1219345,Sm4Fe31Si3,-7.9362295108,-0.1014675071,0.0342434191,0.0342434191,GGA,P1,A31B3C4_aP38_1_31a_3a_4a:Fe-Si-Sm,38.0,A31B3C4_aP38_1_31a_3a_4a:Fe-Si-Sm +mp-1206795,SmFe2SiC,-7.711259224,-0.4487368085,0.0,-0.0155119218,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Sm +mp-567859,Sm(FeSi)2,-7.122165124,-0.6203122010000001,0.0,-0.0683003033,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Sm,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Sm +mp-1219255,Sm2Fe15Si2C,-7.905748522,-0.0774089234,0.13920352,0.13920352,GGA,C2/m,AB15C2D2_mC40_12_a_degi2j_i_i:C-Fe-Si-Sm,20.0,"Invalid WP multiplicities - AB15C2D2_mC40_12_a_cf2g2i3j_i_i:C-Fe-Si-Sm, expected Sm2Fe23Si2C to be Sm2Fe15Si2C" +mp-1219186,Sm2FeSi3,-6.1625362583,-0.4653449967,0.2326308046,0.2326308046,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Fe-Si-Sm,6.0,AB3C2_hP6_187_a_bcd_i:Fe-Si-Sm +mp-1207684,TmMn2SiC,-8.004271007,-0.513501101,0.0,-0.0725924902,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Tm,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Tm +mp-1208128,Tm12(MnC3)5,-7.8206056812,-0.3846655585,0.0,-0.0479791207,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Tm,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Tm +mp-1207962,Tm2MnC4,-8.1482501379,-0.2870575509,0.0132749583,0.0132749583,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Mn-Tm,14.0,A4BC2_oI28_72_2j_a_j:C-Mn-Tm +mp-1208144,Tm2Mn17C3,-8.8445709339,-0.0994833298,0.0048897107,0.0048897107,GGA,P6_3/mmc,A3B17C2_hP44_194_h_fgjk_bc:C-Mn-Tm,44.0,A3B17C2_hP44_194_h_fgjk_bc:C-Mn-Tm +mp-1204728,Tm10Mn13C18,-8.3641343861,-0.3158287301,0.0,-0.0400839447,GGA,I-43m,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Tm,41.0,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Tm +mp-1205614,ThMn2SiC,-8.547696575,-0.4693221037,0.0,-0.0847075783,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Th,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Th +mp-4458,Th(MnSi)2,-7.908704846,-0.5909998672,0.0,-0.1150553188,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Mn-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Mn-Si-Th +mp-1217299,Th2MnSi3,-7.2860825467,-0.5751348997,0.0337457208,0.0337457208,GGA,Imm2,AB3C2_oI12_44_a_a2b_ab:Mn-Si-Th,6.0,AB3C2_oI12_44_a_a2b_ab:Mn-Si-Th +mp-1217454,Th2Mn17C2,-9.0653129538,-0.0634411705,0.0,-0.0082323582,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Mn-Th,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i3j_i:C-Mn-Th, expected Th2Mn25C2 to be Th2Mn17C2" +mp-1215590,ZnRe2(MoS4)2,-7.2277669638,-1.0022517996,0.0287976024,0.0287976024,GGA,Imm2,A2B2C8D_oI26_44_c_d_2c2d_a:Mo-Re-S-Zn,13.0,A2B2C8D_oI26_44_c_d_2c2d_a:Mo-Re-S-Zn +mp-1044098,Si2Bi13(SbO14)2,-6.3985518133,-1.7865011212000002,0.1568321492,0.1568321492,GGA,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Bi-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Bi-O-Sb-Si, expected Si2Bi25(SbO26)2 to be Si2Bi13(SbO14)2" +mp-1248784,Si2Bi13(SbO14)2,-6.4140111869,-1.8019604948,0.1413727757,0.1413727757,GGA,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Bi-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Bi-O-Sb-Si, expected Si2Bi25(SbO26)2 to be Si2Bi13(SbO14)2" +mp-1186167,NaSiO3,-6.67670851,-2.3591266186,0.2549371334,0.2549371334,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Si,5.0,AB3C_cP5_221_a_c_b:Na-O-Si +mp-1202598,NaSi4O13,-6.6508007318,-1.7990923618,0.5610525027000001,0.5610525027000001,GGA,I4_1/amd,AB13C4_tI144_141_e_3ef2hi_gh:Na-O-Si,72.0,AB13C4_tI144_141_e_3ef2hi_gh:Na-O-Si +mp-17702,Yb2SiO5,-7.0176367006,-2.8628894323000003,0.1897282483,0.1897282483,GGA,C2/c,A5BC2_mC64_15_5f_f_2f:O-Si-Yb,,A5BC2_mC64_15_5f_f_2f:O-Si-Yb +mp-1192918,Na2SiO8,-5.4493002418,-1.1180385776,0.3546235456,0.3546235456,GGA,P-1,A2B8C_aP22_2_2i_8i_i:Na-O-Si,22.0,A2B8C_aP22_2_2i_8i_i:Na-O-Si +mp-727389,Na(SiO4)2,-6.1244596682,-1.4202168461,0.6592754291,0.6592754291,GGA,Pbcn,AB8C2_oP44_60_c_2c3d_d:Na-O-Si,44.0,AB8C2_oP44_60_c_2c3d_d:Na-O-Si +mp-945194,Na5(SiO3)6,-6.7464340948,-2.3255743897,0.2660011298,0.2660011298,GGA,P-1,A5B18C6_aP29_2_a2i_9i_3i:Na-O-Si,29.0,"Invalid WP multiplicities - A5B18C6_aP29_2_a4i_17i_5i:Na-O-Si, expected Na9(Si5O17)2 to be Na5(SiO3)6" +mp-1250148,Na5(SiO3)6,-6.66686719,-2.2460074848,0.3455680347,0.3455680347,GGA,P-1,A5B18C6_aP29_2_a2i_9i_3i:Na-O-Si,29.0,"Invalid WP multiplicities - A5B18C6_aP29_2_a4i_17i_5i:Na-O-Si, expected Na9(Si5O17)2 to be Na5(SiO3)6" +mp-1192434,NaYbSiO4,-6.915545045,-2.9049441238,0.0,-0.0005131169,GGA,Pnma,AB4CD_oP28_62_a_2cd_c_c:Na-O-Si-Yb,,AB4CD_oP28_62_a_2cd_c_c:Na-O-Si-Yb +mp-1187516,YbSiO3,-7.79304712,-3.4320486313,0.0,-0.01908972,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Yb,,A3BC_cP5_221_c_b_a:O-Si-Yb +mp-662605,Na2Si4O9,-7.581789153,-2.9906877458,0.0592342578,0.0592342578,GGA,P2_1/c,A2B9C4_mP180_14_6e_27e_12e:Na-O-Si,180.0,"Invalid WP multiplicities - A2B9C4_mP180_14_24e_107e_45e:Na-O-Si, expected Na24Si45O107 to be Na2Si4O9" +mp-1196659,NaSi2O7,-6.2231963605,-1.5431981273000002,0.7442433754000001,0.7442433754000001,GGA,P2_1/c,AB7C2_mP80_14_abe_14e_4e:Na-O-Si,80.0,AB7C2_mP80_14_ade_14e_4e:Na-O-Si +mp-865782,Yb3SiO,-4.753344692,-1.7551783757,0.0,-0.0450623985,GGA,Imma,ABC3_oI20_74_a_e_eg:O-Si-Yb,,ABC3_oI20_74_a_e_eg:O-Si-Yb +mp-1210523,NaSi2O5,-7.2955331506,-2.6822075369,0.1770943415,0.1770943415,GGA,I-4,AB5C2_tI64_82_g_5g_2g:Na-O-Si,32.0,AB5C2_tI64_82_g_5g_2g:Na-O-Si +mp-652025,Na8Si7O18,-6.0689828291,-1.8993517576,0.9679572095,0.9679572095,GGA,P1,A8B18C7_aP33_1_8a_18a_7a:Na-O-Si,33.0,A8B18C7_aP33_1_8a_18a_7a:Na-O-Si +mp-1180115,Na8Si7O18,-6.3967782388,-2.2271471673,0.6401617998,0.6401617998,GGA,P1,A8B18C7_aP33_1_8a_18a_7a:Na-O-Si,33.0,A8B18C7_aP33_1_8a_18a_7a:Na-O-Si +mp-29176,Na8Si7O18,-6.9843264761,-2.8146954045,0.0526135625,0.0526135625,GGA,R-3m,A8B18C7_hR99_166_cde_f2h_bh:Na-O-Si,33.0,A8B18C7_hR99_166_cde_f2h_bh:Na-O-Si +mp-4533,Na2SiO3,-6.5182863508,-2.6998805591,0.0,-0.0447837321,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Na-O-Si,12.0,A2B3C_oC24_36_b_ab_a:Na-O-Si +mp-4300,Yb2Si2O7,-7.5109455391,-3.0967024847,0.0233417256,0.0233417256,GGA,C2/m,A7B2C2_mC22_12_aij_i_h:O-Si-Yb,,A7B2C2_mC22_12_aij_i_h:O-Si-Yb +mp-1205057,Na2SiO12,-5.0681230053,-0.5727474619,0.5072047618000001,0.5072047618000001,GGA,Ibca,A2B12C_oI120_73_f_6f_c:Na-O-Si,60.0,A2B12C_oI120_73_f_6f_c:Na-O-Si +mp-1020179,Na6Si2O7,-6.0662863417,-2.5054457551,0.0089090149,0.0089090149,GGA,P-1,A6B7C2_aP120_2_24i_28i_8i:Na-O-Si,120.0,A6B7C2_aP120_2_24i_28i_8i:Na-O-Si +mp-1210861,Na(SiO2)3,-7.5553508426,-2.8274896775,0.1952590452,0.1952590452,GGA,Pm-3m,AB6C3_cP80_221_g_him_k:Na-O-Si,80.0,AB6C3_cP80_221_g_him_k:Na-O-Si +mp-7500,Na4SiO4,-5.7798013606000005,-2.3906709107,0.0,-0.0629728191,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Na-O-Si,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_6i_i:Na-O-Si, expected Na7SiO6 to be Na4SiO4" +mp-3193,Na2Si2O5,-7.1520941275,-2.9044129938000003,0.0001022861,-0.0095223821,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Na-O-Si,36.0,A2B5C2_mP36_14_2e_5e_2e:Na-O-Si +mp-556307,Na2Si2O5,-7.1509898283,-2.9033086947,0.0012065853,-0.0084180829,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Na-O-Si,36.0,"Invalid WP multiplicities - A2B5C2_mP36_14_6e_17e_4e:Na-O-Si, expected Na6Si4O17 to be Na2Si2O5" +mp-556423,Na2Si2O5,-7.1511567931,-2.9034756594,0.0010396206,-0.0085850476,GGA,P2_1/c,A2B5C2_mP72_14_4e_10e_4e:Na-O-Si,72.0,"Invalid WP multiplicities - A2B5C2_mP72_14_12e_37e_11e:Na-O-Si, expected Na12Si11O37 to be Na2Si2O5" +mp-554856,Na2Si2O5,-7.1313560372,-2.8836749035,0.0208403764,0.0112157082,GGA,Pca2_1,A2B5C2_oP36_29_2a_5a_2a:Na-O-Si,36.0,"Invalid WP multiplicities - A2B5C2_oP36_29_4a_18a_5a:Na-O-Si, expected Na4Si5O18 to be Na2Si2O5" +mp-554383,Na2Si2O5,-7.1496789083,-2.9019977747,0.0025175053,-0.0071071629,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Na-O-Si,36.0,"Invalid WP multiplicities - A2B5C2_oP36_33_6a_18a_4a:Na-O-Si, expected Na3Si2O9 to be Na2Si2O5" +mp-16970,Na2Si2O5,-7.1521964136,-2.9045152799,0.0,-0.0096246682,GGA,Pbcn,A2B5C2_oP36_60_d_c2d_d:Na-O-Si,36.0,A2B5C2_oP36_60_d_c2d_d:Na-O-Si +mp-557290,Na2Si2O5,-7.0900446872,-2.8423635535000003,0.0621517264,0.0525270582,GGA,I4_1/a,A2B5C2_tI72_88_f_c2f_f:Na-O-Si,36.0,"Invalid WP multiplicities - A2B5C2_tI72_88_f_3c11f_f:Na-O-Si, expected Na2Si2O25 to be Na2Si2O5" +mp-1180535,Na2SiO9,-5.4426607838,-1.0601135322,0.2898267473,0.2898267473,GGA,P2_1,A2B9C_mP24_4_2a_9a_a:Na-O-Si,24.0,A2B9C_mP24_4_2a_9a_a:Na-O-Si +mp-556198,Na2Si3O7,-7.4412336342,-2.9789148295,0.0164796527,0.0164796527,GGA,P2_1/c,A2B7C3_mP48_14_2e_7e_3e:Na-O-Si,48.0,"Invalid WP multiplicities - A2B7C3_mP48_14_5e_25e_9e:Na-O-Si, expected Na5Si9O25 to be Na2Si3O7" +mp-15113,Na2Si3O7,-7.3676294137,-2.9053106091,0.0900838731,0.0900838731,GGA,C2/c,A2B7C3_mC48_15_f_e3f_cf:Na-O-Si,24.0,A2B7C3_mC48_15_f_e3f_af:Na-O-Si +mp-1212197,Na(SiO2)6,-7.9414870908,-3.0343977219,0.1045378586,0.1045378586,GGA,Im-3m,AB12C6_cI304_229_f_ij2k_l:Na-O-Si,152.0,AB12C6_cI304_229_f_ij2k_l:Na-O-Si +mp-1195375,Na3YbSi2O7,-6.7239049687,-2.8020094918,0.0082899098,0.0082899098,GGA,P31c,A3B7C2D_hP234_159_a2b8c_21c_6c_a2b2c:Na-O-Si-Yb,,A3B7C2D_hP234_159_a2b8c_21c_6c_a2b2c:Na-O-Si-Yb +mp-1194977,Na3YbSi2O7,-6.7278814454,-2.8059859685,0.0043134331,0.0043134331,GGA,P6_3/m,A3B7C2D_hP78_176_bcdi_h3i_i_af:Na-O-Si-Yb,,A3B7C2D_hP78_176_bcdi_h3i_i_af:Na-O-Si-Yb +mp-554033,Na6Si8O19,-7.3695846162,-2.9658033582,0.004805887,0.004805887,GGA,P2_1/c,A6B19C8_mP132_14_6e_19e_8e:Na-O-Si,132.0,"Invalid WP multiplicities - A6B19C8_mP132_14_22e_73e_28e:Na-O-Si, expected Na22Si28O73 to be Na6Si8O19" +mp-1110970,Cs2LiTaF6,-5.63238216,-2.9297442554,0.181347939,0.181347939,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Ta +mp-1110824,Rb2NdAgI6,-3.284897729,-1.4447007609,0.0615878925,0.0615878925,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-I-Nd-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-I-Nd-Rb +mp-672214,BePbF4,-5.5931410604,-3.0768117596,0.0407210815,0.0407210815,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Be-F-Pb,24.0,AB4C_oP24_62_c_2cd_c:Be-F-Pb +mp-1182129,BePbF4,-5.6169663646,-3.1006370638,0.0168957774,0.0168957774,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Be-F-Pb,24.0,AB4C_oP24_62_c_2cd_c:Be-F-Pb +mp-1221271,Na3Be3Pb2F13,-5.424772724,-3.1647567625,0.0,-0.0017859774,GGA,P2_1,A3B13C3D2_mP42_4_3a_13a_3a_2a:Be-F-Na-Pb,42.0,"Invalid WP multiplicities - A3B13C3D2_mP42_4_6a_25a_3a_4a:Be-F-Na-Pb, expected Na3Be6Pb4F25 to be Na3Be3Pb2F13" +mp-867843,RbUTe3Au,-5.0958155325,-0.9331915721,0.0,-0.0416691542,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Au-Rb-Te-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2c3f_a:Au-Rb-Te-U, expected RbUTe8Au to be RbUTe3Au" +mp-9008,RbTeAu,-3.2899605867,-0.8240532647000001,0.0,-0.1251753139,GGA,Pmma,ABC_oP6_51_a_f_e:Au-Rb-Te,6.0,ABC_oP6_51_a_f_e:Au-Rb-Te +mp-7025,RbTeAu,-3.2815230333,-0.8156157114,0.0084375533,-0.1167377606,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Rb-Te,6.0,ABC_hP6_194_c_a_d:Au-Rb-Te +mp-1105395,Ca2ScOsO6,-8.0410401215,-2.9159232652,0.0,-0.0298420868,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Os-Sc,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Os-Sc +mp-1110613,Rb2AgAsF6,-4.525112324,-2.4329506882,0.0464777263,0.0464777263,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Rb +mp-1113733,Rb2LiInF6,-4.8251760610000005,-3.0161212063,0.0,-0.026049682,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-Li-Rb +mp-1112891,Cs2InAsI6,-2.877335124,-1.0731546261,0.0656697343,0.0656697343,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-In,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-In +mp-1022474,CsMg6Ni,-1.7963645762,0.2382878428,0.313902213,0.313902213,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Ni,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-Ni +mp-1402637,MgNiF4,-5.4169705575,-2.9125817908,0.1617999925,0.1617999925,GGA+U,I4/mcm,A4BC_tI24_140_l_a_d:F-Mg-Ni,12.0,A4BC_tI24_140_l_a_d:F-Mg-Ni +mp-1225959,CsMgNiF6,-5.0295837394,-2.835728972,0.02560061,0.02560061,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Mg-Ni,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Mg-Ni, expected CsMgNiF12 to be CsMgNiF6" +mp-1327604,MgNiF5,-5.0808822832,-2.6611949164,0.0269607668,0.0269607668,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Ni,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Ni +mp-1397453,MgNiF5,-5.0857945457,-2.6661071789,0.0220485043,0.0220485043,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-Ni,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_a:F-Mg-Ni, expected MgNiF7 to be MgNiF5" +mp-1028380,CsMg14Ni,-1.6242935531,0.1931726814,0.2416591213,0.2416591213,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Ni, expected CsMg18Ni to be CsMg14Ni" +mp-1028353,CsMg14Ni,-1.6024376031,0.2150286314,0.2635150713,0.2635150713,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Ni, expected CsMg26Ni to be CsMg14Ni" +mp-1409292,MgNiF6,-4.7471019375,-2.3909406206,0.0,-0.0388043978,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mg-Ni,8.0,A6BC_hR24_148_f_a_b:F-Mg-Ni +mp-1221923,Mn2AsP,-7.5082425012,-0.4091296273,0.03432169,0.03432169,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:As-Mn-P,8.0,AB2C_oP8_26_a_ab_b:As-Mn-P +mp-1221760,Mn4AsP3,-7.7046084362,-0.5112225496,0.0186681181,0.0186681181,GGA,Pm,AB4C3_mP8_6_a_2a2b_a2b:As-Mn-P,8.0,AB4C3_mP8_6_a_2a2b_a2b:As-Mn-P +mp-1221925,Mn2Cu2AsP,-6.1682638925,-0.0691197532,0.2265144583,0.2265144583,GGA,Pmc2_1,AB2C2D_oP12_26_a_ab_ab_b:As-Cu-Mn-P,12.0,AB2C2D_oP12_26_a_ab_ab_b:As-Cu-Mn-P +mp-1112073,K2BiAuCl6,-3.553508073,-1.5108691746,0.0679880517,0.0679880517,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-Cl-K +mp-11123,CsYHgSe3,-4.4916549025,-1.4661068553,0.0,-0.0066374393,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cs-Hg-Se-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Cs-Hg-Se-Y +mp-1210285,Na8Zr6BBr20,-4.6358408486,-1.78994472,0.0,-0.0247403834,GGA,Fm-3m,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-Na-Zr,35.0,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-Na-Zr +mp-653823,Re2Te4Cl22O,-3.9735492719,-1.1088329555,0.0454126649,0.0454126649,GGA,P2_1/c,A22BC2D4_mP58_14_11e_a_e_2e:Cl-O-Re-Te,58.0,"Invalid WP multiplicities - A22BC2D4_mP58_14_42e_a_e_4e:Cl-O-Re-Te, expected Re2Te8Cl84O to be Re2Te4Cl22O" +mp-1205458,Re2Te4Cl22O,-3.9687160388,-1.1039997224,0.050245898,0.050245898,GGA,P2_1/c,A22BC2D4_mP58_14_11e_a_e_2e:Cl-O-Re-Te,58.0,A22BC2D4_mP58_14_11e_a_e_2e:Cl-O-Re-Te +mp-974505,ReTeO3,-7.000024728,-0.9144448856,0.7946270987,0.7946270987,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-Te,5.0,A3BC_cP5_221_c_b_a:O-Re-Te +mp-1213823,Ce3Ta(Cl3O2)2,-7.4034451386,-3.0795151457,0.0382849084,0.0382849084,GGA,P6_3/m,A3B6C4D_hP28_176_h_2h_ch_d:Ce-Cl-O-Ta,28.0,A3B6C4D_hP28_176_h_2h_ch_d:Ce-Cl-O-Ta +mp-558609,Ce3Ta(ClO2)3,-8.4471864858,-3.456202844,0.0,-0.0246651106,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Ce-Cl-O-Ta,26.0,A3B3C6D_hP26_176_h_h_i_c:Ce-Cl-O-Ta +mp-1049288,CaHo(SbO3)2,-6.983048608,-2.5304342582,0.2178215274,0.2178215274,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ca-Ho-O-Sb,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ca-Ho-O-Sb, expected CaHo(SbO6)2 to be CaHo(SbO3)2" +mp-754541,TmTlO2,-6.9483055675,-2.7653415694,0.1007485547,0.1007485547,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Tl-Tm,4.0,A2BC_hR12_166_c_a_b:O-Tl-Tm +mp-1101279,TmTlO3,-6.8463349855,-2.5106260448,0.0884914423,0.0884914423,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Tl-Tm,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:O-Tl-Tm, expected TmTlO7 to be TmTlO3" +mp-1207819,TmTl(MoO4)2,-8.0653037975,-2.3900297575,0.0,-0.0286080259,GGA+U,Pnma,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Tm,48.0,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Tm +mp-28597,Na5InTe4,-3.1660170165,-0.9722636394,0.0,-0.0157860311,GGA,Pbcn,AB5C4_oP80_60_d_ac4d_4d:In-Na-Te,80.0,AB5C4_oP80_60_d_ac4d_4d:In-Na-Te +mp-505045,Na5(InTe3)2,-3.2760772256,-0.8933211266000001,0.0,-0.0142894585,GGA,Cmc2_1,A2B5C6_oC104_36_4a_5b_8a2b:In-Na-Te,52.0,A2B5C6_oC104_36_4a_5b_8a2b:In-Na-Te +mp-22483,NaInTe2,-3.3711866025,-0.7809813999999999,0.0,-0.0080213411,GGA,I4/mcm,ABC2_tI16_140_b_a_h:In-Na-Te,8.0,ABC2_tI16_140_b_a_h:In-Na-Te +mp-1194878,NaIn(TeO3)2,-5.7528666646,-1.7487713569,0.0075012819,0.0075012819,GGA,Pbca,ABC6D2_oP80_61_c_c_6c_2c:In-Na-O-Te,80.0,ABC6D2_oP80_61_c_c_6c_2c:In-Na-O-Te +mp-1202576,Tb4GaSbS9,-6.0394120137,-1.844571316,0.0,-0.0080642654,GGA,Aea2,AB9CD4_oC120_41_b_2a8b_b_4b:Ga-S-Sb-Tb,60.0,AB9CD4_oC120_41_b_2a8b_b_4b:Ga-S-Sb-Tb +mp-1223275,La2FeSn4,-5.4453785357,-0.5339038443,0.0539999727,0.0539999727,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Fe-La-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Fe-La-Sn +mp-21850,Fe3SnC,-7.66044673,0.0692134655,0.0703034385,0.0703034385,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Fe-Sn,5.0,AB3C_cP5_221_b_c_a:C-Fe-Sn +mp-1198430,La6Fe13Sn,-7.268659571,-0.0818650602,0.0136698222,0.0136698222,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-La-Sn,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-La-Sn +mp-607917,La21Fe8Sn7C12,-6.9156953781,-0.452626466,0.0,-0.0889699599,GGA,Fm-3m,A12B8C21D7_cF192_225_g_f_bfh_ae:C-Fe-La-Sn,48.0,"Invalid WP multiplicities - A12B8C21D7_cF192_225_g_f_b5f5h_a2e:C-Fe-La-Sn, expected La101Fe8Sn13C12 to be La21Fe8Sn7C12" +mp-1219173,Sm4EuS5,-7.277841981,-2.2964824136,0.004468377,0.004468377,GGA,R-3m,AB5C4_hR30_166_a_b2c_2c:Eu-S-Sm,10.0,"Invalid WP multiplicities - AB5C4_hR30_166_a_b4c_3c:Eu-S-Sm, expected Sm6EuS9 to be Sm4EuS5" +mp-675037,Sm2EuS4,-7.5577592979,-2.3806202211,0.0,-0.0018481989,GGA,I-42d,AB4C2_tI28_122_a_e_d:Eu-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Eu-S-Sm +mp-1219053,SmEuS2,-8.1504470075,-2.3383250903,0.0025653025,0.0025653025,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Eu-S-Sm,4.0,AB2C_tP4_123_a_bc_d:Eu-S-Sm +mp-1190656,SmEuCuS3,-7.1623609933,-1.9150036257,0.0,-0.0226142033,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Eu-S-Sm,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Eu-S-Sm +mp-675396,Sm3Eu3S8,-7.9221371386,-2.3493969429,0.0,-0.0258641168,GGA,C2,A3B8C3_mC28_5_ac_4c_bc:Eu-S-Sm,14.0,"Invalid WP multiplicities - A3B8C3_mC28_5_ac_7c_b2c:Eu-S-Sm, expected Sm5Eu3S14 to be Sm3Eu3S8" +mp-1190146,Na2Cd(GeS3)2,-4.3702885659,-0.9491344515,0.0,-0.0053502109,GGA,Cc,AB2C2D6_mC44_9_a_2a_2a_6a:Cd-Ge-Na-S,22.0,AB2C2D6_mC44_9_a_2a_2a_6a:Cd-Ge-Na-S +mp-1112087,K2SmAgCl6,-4.212186613,-2.1258706138,0.0592570148,0.0592570148,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sm +mp-4394,Pr2Sn2O7,-7.7049066418,-2.9587451692,0.0,-0.1106286837,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pr-Sn,22.0,A7B2C2_cF88_227_af_c_d:O-Pr-Sn +mp-1044480,PrMg(SnO3)2,-6.9145030605,-2.5064568823,0.2192094317,0.2192094317,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Mg-O-Pr-Sn,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Mg-O-Pr-Sn, expected PrMg(SnO6)2 to be PrMg(SnO3)2" +mp-1102281,PrMgSn,-4.0505442675,-0.5869583808000001,0.0155170675,-0.0893154324,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Pr-Sn,12.0,ABC_oP12_62_c_c_c:Mg-Pr-Sn +mp-1071863,PrMgSn,-4.066061335,-0.6024754483,0.0,-0.1048324999,GGA,I4/mmm,ABC_tI12_139_c_e_e:Mg-Pr-Sn,6.0,ABC_tI12_139_c_e_e:Mg-Pr-Sn +mp-1044492,Pr(SnO3)2,-6.9904637044,-2.2704435119,0.2404552695,0.2404552695,GGA,Pmn2_1,A6BC2_oP18_31_2a2b_a_b:O-Pr-Sn,18.0,"Invalid WP multiplicities - A6BC2_oP18_31_4a4b_a_b:O-Pr-Sn, expected Pr(SnO6)2 to be Pr(SnO3)2" +mp-1222930,LaAlCo4,-6.356025075,-0.1702160558,0.0770598823,0.0770598823,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-La,6.0,AB4C_hP6_187_a_ck_e:Al-Co-La +mp-12274,LaAl4Co,-5.0238149983,-0.5193769617,0.0,-0.0213815942,GGA,Pmma,A4BC_oP12_51_afj_e_e:Al-Co-La,12.0,A4BC_oP12_51_afj_e_e:Al-Co-La +mp-1191125,La3AlCoS7,-6.4921380746,-1.9407160739,0.0459739955,0.0459739955,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-La-S +mp-680712,Np3Se3O13,-8.3574573558,-2.3765085809,0.0580454345,0.0580454345,GGA,Pbca,A3B13C3_oP152_61_3c_13c_3c:Np-O-Se,152.0,"Invalid WP multiplicities - A3B13C3_oP152_61_15c_98c_16c:Np-O-Se, expected Np15(Se8O49)2 to be Np3Se3O13" +mp-772890,Np(SeO3)2,-7.5143498567,-2.0010459784,0.0398427699,0.0398427699,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Np-O-Se,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_19e_3e:Np-O-Se, expected NpSe3O19 to be Np(SeO3)2" +mp-1018828,NpSeO,-9.6980275217,-2.5679008983,0.0,-0.0678505621,GGA,P4/nmm,ABC_tP6_129_c_a_c:Np-O-Se,6.0,ABC_tP6_129_c_a_c:Np-O-Se +mp-1196690,Np3SeO13,-8.6180141009,-2.3447079969,0.0810878942,0.0810878942,GGA,P2_1/c,A3B13C_mP68_14_3e_13e_e:Np-O-Se,68.0,A3B13C_mP68_14_3e_13e_e:Np-O-Se +mp-1103836,NpSeO5,-8.2589493993,-2.3765015828,0.0,-0.101270923,GGA,P2_1/m,AB5C_mP14_11_a_e2f_e:Np-O-Se,14.0,AB5C_mP14_11_a_e2f_e:Np-O-Se +mp-554763,NpAgSeO5,-7.5442282341,-2.0430168943,0.0364219907,0.0364219907,GGA,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Ag-Np-O-Se,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_2i_3i_19i_2i:Ag-Np-O-Se, expected Np3Ag2Se2O19 to be NpAgSeO5" +mp-556965,NpAgSeO5,-7.5272596359,-2.0260482961,0.0533905889,0.0533905889,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Ag-Np-O-Se,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_18e_e:Ag-Np-O-Se, expected NpAgSeO18 to be NpAgSeO5" +mp-1210005,Np2Se2O,-8.21940753,-0.6525933242,1.4172544939,1.4172544939,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Np-O-Se,5.0,A2BC2_tP5_123_g_a_g:Np-O-Se +mp-1196536,Np2SeO9,-8.5897664163,-2.4304606461,0.0,-0.0380845232,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:Np-O-Se,48.0,A2B9C_mP48_14_2e_9e_e:Np-O-Se +mp-1212080,HoTiClO3,-8.4034581392,-3.5423741924,0.0,-0.0343613525,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Ho-O-Ti,12.0,ABC3D_mC24_12_i_i_3i_i:Cl-Ho-O-Ti +mp-1102631,CaAlPt,-4.9096006267,-0.96883095,0.0,-0.0722473112,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ca-Pt,12.0,ABC_oP12_62_c_c_c:Al-Ca-Pt +mp-1227376,Ca2AlP3Pt7,-6.0264581677,-0.9114876792,0.0,-0.0585509485,GGA,I-4m2,AB2C3D7_tI26_119_a_e_ce_be2f:Al-Ca-P-Pt,13.0,"Invalid WP multiplicities - AB2C3D7_tI26_119_a_e_ce_be3f:Al-Ca-P-Pt, expected Ca2Al(PPt3)3 to be Ca2AlP3Pt7" +mp-1205337,Ca3(AlP2)2,-4.9153120467,-1.0085163437,0.0,-0.1446633474,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Al-Ca-P,18.0,A2B3C4_mC36_15_f_ef_2f:Al-Ca-P +mp-1078362,Ca2AlPt2,-4.989686329,-1.009877883,0.0,-0.0752813458,GGA,C2/c,AB2C2_mC20_15_e_f_f:Al-Ca-Pt,10.0,AB2C2_mC20_15_e_f_f:Al-Ca-Pt +mp-1235074,LiLu4(CoO3)4,-7.6903214467,-2.5576423675,0.1743316001,0.1743316001,GGA+U,P1,A4BC4D12_aP21_1_4a_a_4a_12a:Co-Li-Lu-O,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:Co-Li-Lu-O +mp-1185373,LiLu2Co,-4.658104945,-0.1433195196,0.0325286753,0.0325286753,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Li-Lu,4.0,ABC2_cF16_225_a_b_c:Co-Li-Lu +mp-1190726,Cs4In2S5,-3.950619295,-1.2445078148,0.0,-0.0574517111,GGA,P-1,A4B2C5_aP22_2_4i_2i_5i:Cs-In-S,22.0,A4B2C5_aP22_2_4i_2i_5i:Cs-In-S +mp-22007,CsIn5S8,-4.3534046264,-0.9430174866,0.0,-0.001098679,GGA,C2/m,AB5C8_mC28_12_a_d2i_4i:Cs-In-S,14.0,"Invalid WP multiplicities - AB5C8_mC28_12_a_c2i_5i:Cs-In-S, expected Cs(InS2)5 to be CsIn5S8" +mp-559459,CsInS2,-4.1896845516,-1.2096880926,0.0,-0.0824265166,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Cs-In-S,32.0,"Invalid WP multiplicities - ABC2_mC64_15_4f_6f_4e10f:Cs-In-S, expected Cs2(InS2)3 to be CsInS2" +mp-1194853,CsInHgS3,-3.6623365875,-0.9356505762,0.0,-0.0028552848,GGA,C2/c,ABCD3_mC96_15_2f_2ef_2f_6f:Cs-Hg-In-S,48.0,ABCD3_mC96_15_2f_2ef_2f_6f:Cs-Hg-In-S +mp-634945,Eu2H6Ru,-6.2658470678,-0.6942068,0.0,-0.2369137722,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Eu-H-Ru,9.0,A2B6C_cF36_225_c_e_a:Eu-H-Ru +mp-1079896,Ca2H6Ru,-4.4591570367,-0.72116164,0.0,-0.2718157444,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Ca-H-Ru,9.0,A2B6C_cF36_225_c_e_a:Ca-H-Ru +mp-1227207,CaEuH6Ru,-5.3587469611,-0.7039291289,0.0037550911,0.0037550911,GGA,F-43m,ABC6D_cF36_216_a_b_g_c:Ca-Eu-H-Ru,9.0,ABC6D_cF36_216_a_b_g_c:Ca-Eu-H-Ru +mp-1113594,Cs2GaAgI6,-2.714132304,-1.064966817,0.075172162,0.075172162,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Ag-Cs-Ga-I,10.0,AB2CD6_cF40_225_a_c_b_e:Ag-Cs-Ga-I +mp-13898,Cs2NaInF6,-4.736678518,-3.0032897607,0.0,-0.0422872148,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Na +mp-1114188,Rb2ScInI6,-3.410750503,-1.422208595,0.007130817,0.007130817,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Sc +mp-573316,CsPt2Se3,-4.81868633,-0.8977857558000001,0.0,-0.0350122867,GGA,R-3m,AB2C3_hR36_166_c_ae_h:Cs-Pt-Se,12.0,"Invalid WP multiplicities - AB2C3_hR36_166_c_a2e_h:Cs-Pt-Se, expected Cs2Pt7Se6 to be CsPt2Se3" +mp-14338,Cs2Pt3Se4,-4.6928118378,-0.9163839917,0.0,-0.0374343147,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Pt-Se,9.0,"Invalid WP multiplicities - A2B3C4_oF36_69_g_a2c_n:Cs-Pt-Se, expected Cs2Pt5Se4 to be Cs2Pt3Se4" +mp-1190813,Cs2U(PtSe2)3,-5.4581561475,-1.1022325158,0.0,-0.0520178473,GGA,Fmmm,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pt-Se-U,24.0,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pt-Se-U +mp-752672,NaDyO2,-7.11002128,-3.154348891,0.0,-0.1082110813,GGA,C2/c,ABC2_mC32_15_2e_2e_2f:Dy-Na-O,16.0,"Invalid WP multiplicities - ABC2_mC32_15_4e_3e_7f:Dy-Na-O, expected Na3Dy4O14 to be NaDyO2" +mp-755883,NaDyO2,-7.1059916088,-3.1503192198,0.0040296712,-0.10418141,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Dy-Na-O,8.0,ABC2_tI16_141_a_b_e:Dy-Na-O +mp-1101653,NaDyO2,-7.1039095075,-3.1482371185,0.0061117725,-0.1020993088,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Na-O,4.0,ABC2_hR12_166_a_b_c:Dy-Na-O +mp-1210216,Na4Dy2(IrO4)3,-6.8938866267000005,-2.1139227253,0.0,-0.0133216333,GGA,P-62m,A2B3C4D12_hP21_189_c_g_bf_2fk:Dy-Ir-Na-O,21.0,A2B3C4D12_hP21_189_c_g_bf_2fk:Dy-Ir-Na-O +mp-1221061,NaDyIrO4,-7.2690515519,-2.3326942436,0.0364918973,0.0364918973,GGA,Amm2,ABCD4_oC42_38_ad_be_bd_2a2d3e:Dy-Ir-Na-O,21.0,"Invalid WP multiplicities - ABCD4_oC42_38_ad_be_bd_2a2d6e:Dy-Ir-Na-O, expected NaDyIrO6 to be NaDyIrO4" +mp-1189864,Li2LuSiO5,-7.2594625206,-2.9819560939,0.0887695837,0.0887695837,GGA,P-1,A2BC5D_aP18_2_2i_i_5i_i:Li-Lu-O-Si,18.0,A2BC5D_aP18_2_2i_i_5i_i:Li-Lu-O-Si +mp-560037,Rb2NaBiF6,-4.784798821,-2.9255031837,0.0,-0.0184715815,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-Na-Rb +mp-1102425,Lu3(CuGe)4,-4.9997136291,-0.5950054782,0.0,-0.0948069876,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Lu,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Lu +mp-1222379,LuCuGe,-4.7404442533,-0.3260492383,0.2844589967,0.2749461671,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ge-Lu,6.0,ABC_hP6_164_d_d_c:Cu-Ge-Lu +mp-1222284,LuCuGe,-5.02490325,-0.6105082350000001,0.0,-0.0095128296,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Lu,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Lu +mp-1222658,Lu4CuGe8,-5.0788085831,-0.5274830762,0.0313867186,0.0313867186,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Cu-Ge-Lu,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Cu-Ge-Lu +mp-1210874,Lu2Cu(GeO3)4,-7.3270989421,-2.5379682229,0.0073852335,0.0073852335,GGA,P-1,AB4C2D12_aP19_2_a_2i_i_6i:Cu-Ge-Lu-O,19.0,AB4C2D12_aP19_2_a_2i_i_6i:Cu-Ge-Lu-O +mp-562809,GdBi2BrO4,-7.7956794525,-2.4085689931,0.0,-0.0586317603,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Gd-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Br-Gd-O +mp-11652,Yb3PbO,-4.499573984,-1.8439418597,0.0,-0.0623123615,GGA,Pm-3m,ABC3_cP5_221_b_a_c:O-Pb-Yb,,ABC3_cP5_221_b_a_c:O-Pb-Yb +mp-1215690,YbTa(PbO3)2,-7.468400011,-2.4181187792,0.1654029204,0.1654029204,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Pb-Ta-Yb,,A6B2CD_cF40_225_e_c_a_b:O-Pb-Ta-Yb +mp-553970,CsGeBiS4,-4.6432518154,-0.9425776976,0.0,-0.0143241723,GGA,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Bi-Cs-Ge-S,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_12e:Bi-Cs-Ge-S, expected CsGeBiS12 to be CsGeBiS4" +mp-1208669,Ta3Te4ClO15,-7.7365362603,-2.3367352259,0.0,-0.011628884,GGA,C2/c,AB15C3D4_mC184_15_2e_15f_3f_4f:Cl-O-Ta-Te,92.0,AB15C3D4_mC184_15_2e_15f_3f_4f:Cl-O-Ta-Te +mp-29428,Ta(TeCl3)2,-4.6336001894,-1.3851991476,0.0049288691,0.0049288691,GGA,P-1,A6BC2_aP18_2_6i_i_2i:Cl-Ta-Te,18.0,A6BC2_aP18_2_6i_i_2i:Cl-Ta-Te +mp-541877,TaTeCl9,-4.3794312682,-1.503257317,0.0091165894,0.0091165894,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-Ta-Te,22.0,A9BC_aP22_2_9i_i_i:Cl-Ta-Te +mp-669345,TaTeCl9,-4.3882056868,-1.5120317356,0.0003421708,0.0003421708,GGA,C2/c,A9BC_mC88_15_9f_f_f:Cl-Ta-Te,44.0,"Invalid WP multiplicities - A9BC_mC88_15_34f_f_f:Cl-Ta-Te, expected TaTeCl34 to be TaTeCl9" +mp-1198418,TaTe4Cl4O,-4.9604751937,-1.2832915383,0.0,-0.0036280454,GGA,P2_1/c,A4BCD4_mP80_14_8e_2e_2e_8e:Cl-O-Ta-Te,80.0,A4BCD4_mP80_14_8e_2e_2e_8e:Cl-O-Ta-Te +mp-1214971,Ag6Ge(S2Cl)2,-3.7300195213,-0.5099243935000001,0.0079298984,0.0079298984,GGA,Pnma,A6B2CD4_oP52_62_ac2d_2c_c_2cd:Ag-Cl-Ge-S,52.0,A6B2CD4_oP52_62_ac2d_2c_c_2cd:Ag-Cl-Ge-S +mp-1209152,RbSm(MoO4)2,-8.0967496387,-2.516422129,0.0224387577,-0.0136709719,GGA+U,C2/c,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Sm,24.0,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Sm +mp-1209294,RbSm(MoO4)2,-8.1191883965,-2.5388608867,0.0,-0.0361097296,GGA+U,Pbcn,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Rb-Sm,48.0,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Rb-Sm +mp-1213026,DyCrGeO5,-8.2911470094,-2.8391087942,0.0058774987,0.0058774987,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Dy-Ge-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Dy-Ge-O +mp-2217089,MgNi2(AgO2)2,-5.2970526522,-1.0067837343,0.32444721,0.32444721,GGA+U,P3m1,A2BC2D4_hP9_156_ab_a_2c_2a2b:Ag-Mg-Ni-O,9.0,A2BC2D4_hP9_156_ab_a_2c_2a2b:Ag-Mg-Ni-O +mp-2217426,MgNi2(AgO2)2,-5.2702153356,-0.9799464176,0.3512845267,0.3512845267,GGA+U,P3m1,A2BC2D4_hP9_156_ab_c_2c_2a2b:Ag-Mg-Ni-O,9.0,A2BC2D4_hP9_156_ab_c_2c_2a2b:Ag-Mg-Ni-O +mp-557620,Ni2Ag3O4,-4.82763213,-0.4004436617,0.347928345,0.347928345,GGA+U,P6_3/mmc,A3B2C4_hP18_194_cf_f_ef:Ag-Ni-O,18.0,"Invalid WP multiplicities - A3B2C4_hP18_194_2c2f_f_e2f:Ag-Ni-O, expected Ni(AgO)3 to be Ni2Ag3O4" +mp-19405,Ni(AgO)2,-4.882529988,-0.6148047662,0.066471256,0.066471256,GGA+U,R-3m,A2BC2_hR15_166_c_a_c:Ag-Ni-O,5.0,A2BC2_hR15_166_c_a_c:Ag-Ni-O +mp-2225602,MgNiAgO2,-5.23855007,-1.2172800388,0.4976596387,0.4976596387,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Mg-Ni-O,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Mg-Ni-O +mp-2227498,MgNiAgO2,-5.188738444,-1.1674684128,0.5474712647000001,0.5474712647000001,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Mg-Ni-O,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Mg-Ni-O +mp-1277880,NiAgO2,-5.4185524062,-0.7920348798,0.0402071075,0.0402071075,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Ag-Ni-O,16.0,ABC2_mC8_12_a_c_i:Ag-Ni-O +mp-19069,NiAgO2,-5.42924023,-0.8027227035000001,0.0295192838,0.0295192838,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ag-Ni-O,4.0,ABC2_hR12_166_a_b_c:Ag-Ni-O +mp-19284,NiAgO2,-5.4293389112,-0.8028213848,0.0294206025,0.0294206025,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Ni-O,8.0,ABC2_hP8_194_c_a_f:Ag-Ni-O +mp-1210143,Rb2Cd2(MoO4)3,-7.0172198814,-1.9801639588,0.0,-0.0189778001,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Cd-Mo-O-Rb,76.0,A2B3C12D2_cP76_198_2a_b_4b_2a:Cd-Mo-O-Rb +mp-1217605,TbCuPbS3,-5.4928356775000005,-1.3502407707,0.0,-0.0021856058,GGA,Cmc2_1,ABC3D_oC24_36_a_a_3a_a:Cu-Pb-S-Tb,12.0,"Invalid WP multiplicities - ABC3D_oC24_36_a_a_4a_a:Cu-Pb-S-Tb, expected TbCuPbS4 to be TbCuPbS3" +mp-10178,LiMgP,-3.3857641433,-0.4115956689,0.3504887433,0.2683750956,GGA,F-43m,ABC_cF12_216_c_a_b:Li-Mg-P,3.0,ABC_cF12_216_c_a_b:Li-Mg-P +mp-36111,LiMgP,-3.7362528867,-0.7620844122,0.0,-0.0821136478,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Mg-P,3.0,ABC_cF12_216_a_b_c:Li-Mg-P +mp-961683,LiMgP,-3.3961475167,-0.4219790422,0.34010537,0.2579917222,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Mg-P,3.0,ABC_cF12_216_a_c_b:Li-Mg-P +mp-1185358,LiMgCd2,-1.52431486,-0.1855692508,0.0,-0.0106572737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Li-Mg,4.0,A2BC_cF16_225_c_a_b:Cd-Li-Mg +mp-1021276,LiMg6Cd,-1.6090463525,-0.0548597367,0.0386695123,0.0386695123,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Li-Mg, expected LiMg12Cd to be LiMg6Cd" +mp-1021274,LiMg6Cd,-1.6084741756,-0.0542875598,0.0392416891,0.0392416891,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Li-Mg, expected LiMg12Cd to be LiMg6Cd" +mp-1222661,Li2MgCdP2,-3.4708704617,-0.6096003689,0.0,-0.0534924019,GGA,P-4m2,AB2CD2_tP6_115_a_bd_c_g:Cd-Li-Mg-P,6.0,AB2CD2_tP6_115_a_bd_c_g:Cd-Li-Mg-P +mp-1222665,Li2MgCdP2,-3.1170945033,-0.2558244106,0.3537759583,0.3002835564,GGA,P-4m2,AB2CD2_tP6_115_a_g_c_bd:Cd-Li-Mg-P,6.0,AB2CD2_tP6_115_a_g_c_bd:Cd-Li-Mg-P +mp-1096545,LiMg2Cd,-0.5398836825000001,0.9682094992,1.128833145,1.1072872882,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Li-Mg,4.0,ABC2_oI8_71_a_b_e:Cd-Li-Mg +mp-1185359,LiMg2Cd,-1.6687168275,-0.1606236458,0.0,-0.0215458568,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Cd-Li-Mg +mp-1222648,Li2MgCd,-1.7677988075000002,-0.1825449217,0.0,-0.011734965,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cd-Li-Mg,4.0,AB2C_cF16_216_a_bc_d:Cd-Li-Mg +mp-866194,Li2MgCd,-1.75962598,-0.1743720942,0.0081728275,-0.0035621375,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-Li-Mg,4.0,AB2C_cF16_225_a_c_b:Cd-Li-Mg +mp-1026803,LiMg14Cd,-1.6021490031,-0.0249156702,0.0350663803,0.0350663803,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Li-Mg, expected LiMg18Cd to be LiMg14Cd" +mp-1026799,LiMg14Cd,-1.5998611531,-0.0226278202,0.0373542303,0.0373542303,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Li-Mg, expected LiMg26Cd to be LiMg14Cd" +mp-555871,Na2CuSbS3,-4.2240642771,-0.8979774061,0.0,-0.0048675647,GGA,P2_1/c,AB2C3D_mP28_14_e_2e_3e_e:Cu-Na-S-Sb,28.0,"Invalid WP multiplicities - AB2C3D_mP28_14_e_3e_9e_e:Cu-Na-S-Sb, expected Na3CuSbS9 to be Na2CuSbS3" +mp-1208026,TlFe(SeO4)2,-6.03051456,-1.2473481432,0.0150623014,0.0150623014,GGA+U,P321,AB8C2D_hP12_150_a_dg_d_b:Fe-O-Se-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Fe-O-Se-Tl +mp-568883,Pr3SiSe2N3,-7.5443961606,-1.7922469355,0.0,-0.0084149215,GGA,R-3,A3B3C2D_hR162_148_3f_3f_2f_f:N-Pr-Se-Si,54.0,"Invalid WP multiplicities - A3B3C2D_hR162_148_14f_17f_5f_f:N-Pr-Se-Si, expected Pr17SiSe5N14 to be Pr3SiSe2N3" +mp-1209344,PrSi3N5,-8.4000241686,-1.4289870053,0.0032743731,0.0032743731,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:N-Pr-Si,36.0,A5BC3_oP36_19_5a_a_3a:N-Pr-Si +mp-1245915,Si2SeN2,-7.240971105,-1.0370636275,0.1023538205,0.1023538205,GGA,Cmc2_1,A2BC2_oC20_36_b_a_b:N-Se-Si,10.0,A2BC2_oC20_36_b_a_b:N-Se-Si +mp-16929,Pr3Si6N11,-8.408498858,-1.478695377,0.0,-0.0421429773,GGA,P4bm,A11B3C6_tP40_100_bc2d_ac_cd:N-Pr-Si,40.0,A11B3C6_tP40_100_bc2d_ac_cd:N-Pr-Si +mp-1209746,Pr3Se3N,-6.7734523693,-2.0353171374,0.0,-0.0105689083,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-Pr-Se,28.0,AB3C3_oP28_62_c_3c_3c:N-Pr-Se +mp-31303,Pr4Se3N2,-7.0873645617,-1.9446593058,0.0,-0.0363283122,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:N-Pr-Se,18.0,"Invalid WP multiplicities - A2B4C3_mC36_15_f_2f_2e3f:N-Pr-Se, expected Pr2Se4N to be Pr4Se3N2" +mp-1200944,Pr5(SiN3)3,-8.2415851668,-1.4645888615,0.0080058562,0.0080058562,GGA,Cmce,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Pr-Si,68.0,A9B5C3_oC136_64_3f3g_d2fg_e2f:N-Pr-Si +mp-1211457,La3SiCl3,-5.6333069179,-1.9505998714,0.0,-0.0916368967,GGA,I4_132,A3B3C_cI56_214_h_g_a:Cl-La-Si,28.0,A3B3C_cI56_214_h_g_a:Cl-La-Si +mp-772534,LaSCl,-6.2807961138,-2.6404649031,0.0196191001,0.0196191001,GGA,Pbcm,ABC_oP72_57_3e_cd2e_3e:Cl-La-S,72.0,ABC_oP72_57_5e_2c2d3e_5e:Cl-La-S +mp-29559,La3Si3Cl2,-5.7971062588,-1.4494751681,0.0,-0.041412834,GGA,C2/m,A2B3C3_mC32_12_2i_3i_3i:Cl-La-Si,16.0,A2B3C3_mC32_12_2i_3i_3i:Cl-La-Si +mp-556246,La3Si2S8Cl,-6.2654264429,-1.9369412307,0.0,-0.0168129501,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Cl-La-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e2f_13f_f:Cl-La-S-Si, expected La6Si2S26Cl to be La3Si2S8Cl" +mp-1211117,Na11(CoO2)13,-6.1824787567,-1.4710824356,0.0655420524,0.0655420524,GGA+U,P6_3/m,A13B11C26_hP100_176_b2i_ac3h_f4i:Co-Na-O,100.0,"Invalid WP multiplicities - A13B11C26_hP100_176_2b5i_2a2c6h_3f14i:Co-Na-O, expected Na11Co16O45 to be Na11(CoO2)13" +mp-774332,Na2Co2O3,-5.9466759443,-1.4178541856,0.0038206914,0.0038206914,GGA+U,P2_1/c,A2B2C3_mP14_14_e_e_ae:Co-Na-O,14.0,A2B2C3_mP14_14_e_e_ae:Co-Na-O +mp-781495,Na2Co2O3,-5.9418598271,-1.4130380685,0.0086368086,0.0086368086,GGA+U,C2/c,A2B2C3_mC56_15_2f_2ef_3f:Co-Na-O,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_7f_3e2f_11f:Co-Na-O, expected Na7(Co7O11)2 to be Na2Co2O3" +mp-759583,Na2Co6O7,-6.5837211357,-1.25560258,0.0953179488,0.0953179488,GGA+U,P4_2nm,A6B2C7_tP30_102_cd_c_acd:Co-Na-O,30.0,"Invalid WP multiplicities - A6B2C7_tP30_102_4c5d_c_2a2c4d:Co-Na-O, expected NaCo14O11 to be Na2Co6O7" +mp-760125,Na6CoO4,-4.5881042948,-1.4217202583000002,0.0453528739,0.0453528739,GGA+U,P4_2/nmc,AB6C4_tP22_137_a_df_g:Co-Na-O,44.0,AB6C4_tP22_137_a_df_g:Co-Na-O +mp-759174,Na6CoO4,-4.6141121034,-1.447728067,0.0193450652,0.0193450652,GGA+U,P6_3mc,AB6C4_hP22_186_b_2c_bc:Co-Na-O,44.0,AB6C4_hP22_186_b_2c_bc:Co-Na-O +mp-774357,Na6CoO4,-4.5608133255,-1.394429289,0.0726438432,0.0726438432,GGA+U,I-43m,AB6C4_cI88_217_c_2g_abg:Co-Na-O,44.0,"Invalid WP multiplicities - AB6C4_cI88_217_c_10g_a2b3g:Co-Na-O, expected Na120Co4O43 to be Na6CoO4" +mp-1176407,Na2Co3O4,-6.1807634867,-1.3189013959,0.0759549817,0.0759549817,GGA+U,C2/c,A3B2C4_mC36_15_ef_f_2f:Co-Na-O,18.0,"Invalid WP multiplicities - A3B2C4_mC36_15_ef_f_3f:Co-Na-O, expected Na2(CoO2)3 to be Na2Co3O4" +mp-778740,Na2Co3O4,-6.1789280275,-1.3170659367,0.0777904408,0.0777904408,GGA+U,Pnma,A3B2C4_oP36_62_cd_ac_2cd:Co-Na-O,36.0,"Invalid WP multiplicities - A3B2C4_oP36_62_3c2d_2a2c_6c3d:Co-Na-O, expected Na4Co7O12 to be Na2Co3O4" +mp-775864,NaCo11O17,-6.9259327422,-1.2842869102,0.031056276,0.031056276,GGA+U,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Co-Na-O,58.0,"Invalid WP multiplicities - A11BC17_hP58_194_a6f3k_c_2de3f11k:Co-Na-O, expected NaCo31O76 to be NaCo11O17" +mp-1279953,NaCoO2,-6.0418678731,-1.4608127454,0.1084006794,0.0542230724,GGA+U,P1,ABC2_aP16_1_4a_4a_8a:Co-Na-O,16.0,ABC2_aP16_1_4a_4a_8a:Co-Na-O +mp-1285668,NaCoO2,-6.0383723181,-1.4573171904,0.1118962344,0.0577186274,GGA+U,P2_1,ABC2_mP8_4_a_a_2a:Co-Na-O,16.0,"Invalid WP multiplicities - ABC2_aP8_1_4a_2a_4a:Co-Na-O, expected Na(CoO)2 to be NaCoO2" +mp-1278452,NaCoO2,-6.0249101731,-1.4438550454,0.1253583794,0.0711807724,GGA+U,P2_1/m,ABC2_mP8_11_e_e_2e:Co-Na-O,16.0,ABC2_mP8_11_e_e_2e:Co-Na-O +mp-1281666,NaCoO2,-6.073237285,-1.4921821573,0.0770312675,0.0228536605,GGA+U,Pmn2_1,ABC2_oP8_31_a_a_2a:Co-Na-O,16.0,ABC2_oP8_59_a_a_2b:Co-Na-O +mp-755166,NaCoO2,-6.0717685187,-1.490713391,0.0785000337,0.0243224268,GGA+U,Pmmn,ABC2_oP8_59_a_a_2b:Co-Na-O,16.0,ABC2_oP8_59_a_a_2b:Co-Na-O +mp-1221066,NaCoO2,-6.0529027175,-1.4718475898,0.097365835,0.043188228,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Co-Na-O,4.0,ABC2_hR12_160_a_a_2a:Co-Na-O +mp-1101661,NaCoO2,-6.0376015175,-1.4565463898,0.112667035,0.058489428,GGA+U,P-3m1,ABC2_hP4_164_a_b_d:Co-Na-O,4.0,ABC2_hP4_164_a_b_d:Co-Na-O +mp-18921,NaCoO2,-6.1502685525,-1.5692134248,0.0,-0.054177607,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Co-Na-O,4.0,ABC2_hR12_166_a_b_c:Co-Na-O +mp-867515,NaCoO2,-6.1388165025,-1.5577613748,0.01145205,-0.042725557,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Co-Na-O,8.0,ABC2_hP8_194_a_c_f:Co-Na-O +mp-760235,Na3(CoO2)2,-5.6361987983,-1.4172025411,0.0968635233,0.0968635233,GGA+U,Pnma,A2B3C4_oP36_62_d_cd_2cd:Co-Na-O,36.0,"Invalid WP multiplicities - A2B3C4_oP36_62_d_2c3d_5c4d:Co-Na-O, expected Na8Co2O13 to be Na3(CoO2)2" +mp-754437,Na3(CoO2)2,-5.6920264328,-1.4730301755,0.0410358889,0.0410358889,GGA+U,Cmcm,A2B3C4_oC36_63_ac_cf_h:Co-Na-O,18.0,"Invalid WP multiplicities - A2B3C4_oC36_63_2a2c_c2f_h:Co-Na-O, expected Na5(CoO)4 to be Na3(CoO2)2" +mp-1282563,NaCo2O3,-6.4698117383,-1.4066072355,0.0678739662,0.0678739662,GGA+U,P2_1,A2BC3_mP12_4_2a_a_3a:Co-Na-O,12.0,"Invalid WP multiplicities - A2BC3_mP12_4_3a_a_5a:Co-Na-O, expected NaCo3O5 to be NaCo2O3" +mp-1279554,NaCo2O3,-6.4894226742,-1.4262181713,0.0482630304,0.0482630304,GGA+U,Cm,A2BC3_mC24_8_2b_2a_2a2b:Co-Na-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_8_4b_2a_2a4b:Co-Na-O, expected NaCo4O5 to be NaCo2O3" +mp-1283194,NaCo2O3,-6.5125639658,-1.449359463,0.0251217387,0.0251217387,GGA+U,Cc,A2BC3_mC24_9_2a_a_3a:Co-Na-O,12.0,"Invalid WP multiplicities - A2BC3_mC24_9_4a_a_3a:Co-Na-O, expected NaCo4O3 to be NaCo2O3" +mp-755782,NaCo2O3,-6.4130263475,-1.3498218446,0.1246593571,0.1246593571,GGA+U,Cmc2_1,A2BC3_oC24_36_b_a_ab:Co-Na-O,12.0,"Invalid WP multiplicities - A2BC3_oC24_36_b_a_a2b:Co-Na-O, expected NaCo2O5 to be NaCo2O3" +mp-778231,Na8Co2O7,-5.0352667084,-1.5397573604,0.011189814,0.011189814,GGA+U,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Co-Na-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:Co-Na-O, expected Na31(CoO9)3 to be Na8Co2O7" +mp-31126,Na3CoO3,-5.2772244471,-1.5749444744,0.0,-0.0295764351,GGA+U,P-1,AB3C3_aP14_2_i_3i_3i:Co-Na-O,14.0,"Invalid WP multiplicities - AB3C3_aP14_2_i_5i_5i:Co-Na-O, expected Na5CoO5 to be Na3CoO3" +mp-754397,Na3CoO3,-5.1650959204,-1.4628159476,0.1121285268,0.0825520917,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Co-Na-O, expected Na9CoO9 to be Na3CoO3" +mp-777919,Na3CoO3,-5.2596429875,-1.5573630148,0.0175814596,-0.0119949755,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_11e_11e:Co-Na-O, expected Na11CoO11 to be Na3CoO3" +mp-776646,Na3CoO3,-5.2416945232,-1.5394145505,0.0355299239,0.0059534888,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_11e:Co-Na-O, expected Na9CoO11 to be Na3CoO3" +mp-775300,Na3CoO3,-5.2429167404,-1.5406367676,0.0343077068,0.0047312717,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Co-Na-O, expected Na9CoO9 to be Na3CoO3" +mp-1176349,Na3CoO3,-5.2651733761,-1.5628934033,0.0120510711,-0.017525364,GGA+U,P2_1/c,AB3C3_mP28_14_e_3e_3e:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_5e:Co-Na-O, expected Na9CoO5 to be Na3CoO3" +mp-774092,Na3CoO3,-5.2150117218,-1.5127317491,0.0622127254,0.0326362902,GGA+U,Pnnm,AB3C3_oP28_58_g_3g_3g:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_oP28_58_g_9g_9g:Co-Na-O, expected Na9CoO9 to be Na3CoO3" +mp-861576,Na3CoO3,-5.25821775,-1.5559377773,0.0190066971,-0.010569738,GGA+U,Cmcm,AB3C3_oC28_63_c_cg_cg:Co-Na-O,28.0,AB3C3_oC28_63_c_cg_cg:Co-Na-O +mp-849289,Na3CoO3,-5.1710544852,-1.4687745125,0.1061699619,0.0765935268,GGA+U,Cmce,AB3C3_oC168_64_3f_e2f3g_d4g:Co-Na-O,84.0,"Invalid WP multiplicities - AB3C3_oC168_64_11f_2e8f10g_4d9g:Co-Na-O, expected Na30(CoO2)11 to be Na3CoO3" +mp-754520,Na3CoO3,-5.1579315279,-1.4556515551,0.1192929193,0.0897164842,GGA+U,P4_2/mnm,AB3C3_tP28_136_f_fi_gi:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_tP28_136_f_2f3i_3g2i:Co-Na-O, expected Na8CoO7 to be Na3CoO3" +mp-755811,Na3CoO3,-5.2202083864,-1.5179284137,0.0570160607,0.0274396256,GGA+U,P2_13,AB3C3_cP28_198_a_3a_b:Co-Na-O,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_9a_b:Co-Na-O, expected Na9CoO3 to be Na3CoO3" +mp-1176353,Na3CoO3,-5.2466900979,-1.5444101251,0.0305343493,0.0009579142,GGA+U,I-43m,AB3C3_cI56_217_c_g_g:Co-Na-O,28.0,AB3C3_cI56_217_c_g_g:Co-Na-O +mp-510308,Na9Co2O7,-4.8700079897,-1.4952199781,0.0138031206,0.0138031206,GGA+U,Pca2_1,A2B9C7_oP72_29_2a_9a_7a:Co-Na-O,72.0,A2B9C7_oP72_29_2a_9a_7a:Co-Na-O +mp-849362,Na14Co2O9,-4.5447044628,-1.4546169388,0.0090825904,0.0090825904,GGA+U,P-3,A2B14C9_hP25_147_d_c2g_adg:Co-Na-O,50.0,A2B14C9_hP25_147_d_c2g_adg:Co-Na-O +mp-18846,Na4(CoO2)7,-6.4374590544,-1.4653803465,0.0060662679,0.0060662679,GGA+U,P6_3/m,A7B4C14_hP50_176_bi_ah_f2i:Co-Na-O,50.0,"Invalid WP multiplicities - A7B4C14_hP50_176_b2i_ah_f2i:Co-Na-O, expected Na4Co13O14 to be Na4(CoO2)7" +mp-562435,Na10Co4O9,-5.2230917309,-1.4761907519,0.0,-0.0035756313,GGA+U,P-1,A4B10C9_aP46_2_4i_10i_9i:Co-Na-O,46.0,"Invalid WP multiplicities - A4B10C9_aP46_2_5i_19i_18i:Co-Na-O, expected Na19Co5O18 to be Na10Co4O9" +mp-39072,Na3(CoO2)4,-6.014367834,-1.216077384,0.2988211462,0.2988211462,GGA+U,P-1,A4B3C8_aP15_2_bdi_ai_4i:Co-Na-O,15.0,"Invalid WP multiplicities - A4B3C8_aP15_2_bd2i_ai_6i:Co-Na-O, expected Na(CoO2)2 to be Na3(CoO2)4" +mp-690591,Na3(CoO2)4,-6.1346780307,-1.3363875806,0.1785109495,0.1785109495,GGA+U,C2/m,A4B3C8_mC30_12_ei_ah_2ij:Co-Na-O,15.0,"Invalid WP multiplicities - A4B3C8_mC30_12_2e2i_cg_4i2j:Co-Na-O, expected Na3(CoO2)8 to be Na3(CoO2)4" +mp-1221242,Na3(CoO2)4,-6.167624616,-1.369334166,0.1455643642,0.1455643642,GGA+U,C2/m,A4B3C8_mC30_12_abe_cf_2ij:Co-Na-O,15.0,"Invalid WP multiplicities - A4B3C8_mC30_12_ab2f_ce_4i3j:Co-Na-O, expected Na3(Co3O10)2 to be Na3(CoO2)4" +mp-1221243,Na3(CoO2)4,-6.1917062813,-1.3934158313,0.1214826988,0.1214826988,GGA+U,Imm2,A4B3C8_oI30_44_2c_ac_4c:Co-Na-O,15.0,"Invalid WP multiplicities - A4B3C8_oI30_44_4c_ac_8c:Co-Na-O, expected Na3(CoO2)8 to be Na3(CoO2)4" +mp-766225,Na3(CoO2)4,-6.3116394367,-1.5133489866,0.0015495435,0.0015495435,GGA+U,Pmmn,A4B3C8_oP30_59_2e_2ab_4e:Co-Na-O,30.0,"Invalid WP multiplicities - A4B3C8_oP30_59_3e_2a4b_16e:Co-Na-O, expected Na3Co3O16 to be Na3(CoO2)4" +mp-28824,Na3CoO2,-4.81176765,-1.3168891337,0.0279279042,0.0279279042,GGA+U,P4_2/mnm,AB3C2_tP24_136_f_gi_i:Co-Na-O,24.0,AB3C2_tP24_136_f_gi_i:Co-Na-O +mp-752749,NaCo3O4,-6.6665834437,-1.3623042533,0.0648108369,0.0648108369,GGA+U,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Co-Na-O,16.0,"Invalid WP multiplicities - A3BC4_oP16_31_2a2b_a_4a2b:Co-Na-O, expected Na(Co3O4)2 to be NaCo3O4" +mp-759399,NaCo3O4,-6.4470268412,-1.1427476508,0.2843674394,0.2843674394,GGA+U,P4_122,A3BC4_tP32_91_a2b_a_2d:Co-Na-O,32.0,"Invalid WP multiplicities - A3BC4_tP32_91_3a7b_a_7d:Co-Na-O, expected Na(Co5O7)2 to be NaCo3O4" +mp-19427,Na7(CoO3)2,-5.054788029,-1.5111583682,0.0118773953,0.0118773953,GGA+U,C2/c,A2B7C6_mC60_15_f_e3f_3f:Co-Na-O,30.0,"Invalid WP multiplicities - A2B7C6_mC60_15_f_2e10f_8f:Co-Na-O, expected Na11CoO8 to be Na7(CoO3)2" +mp-764233,Na8CoO6,-4.6655589577,-1.507648797,0.0,-0.0211728427,GGA+U,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Co-Na-O,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Co-Na-O, expected Na31CoO16 to be Na8CoO6" +mp-1287673,Na3(CoO2)5,-6.3645671678,-1.4214531696,0.0572354308,0.0572354308,GGA+U,P1,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O,36.0,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O +mp-1290242,Na3(CoO2)5,-6.3926644978,-1.4495504996,0.0291381008,0.0291381008,GGA+U,P1,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O,36.0,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O +mp-1310662,Na3(CoO2)5,-6.3511973144,-1.4080833162,0.0706052842,0.0706052842,GGA+U,P1,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O,36.0,A5B3C10_aP36_1_10a_6a_20a:Co-Na-O +mp-861555,Na3(CoO2)5,-6.4147375133,-1.4716235151,0.0070650853,0.0070650853,GGA+U,Cm,A5B3C10_mC36_8_a2b_ab_2a4b:Co-Na-O,36.0,"Invalid WP multiplicities - A5B3C10_mC36_8_2a4b_ab_2a4b:Co-Na-O, expected Na3(CoO)10 to be Na3(CoO2)5" +mp-1290926,Na3(CoO2)5,-6.3475765508,-1.4044625526,0.0742260478,0.0742260478,GGA+U,Cm,A5B3C10_mC72_8_2a4b_2a2b_4a8b:Co-Na-O,36.0,"Invalid WP multiplicities - A5B3C10_mC72_8_2a8b_2a4b_4a16b:Co-Na-O, expected Na5(CoO2)9 to be Na3(CoO2)5" +mp-1301120,Na3(CoO2)5,-6.3190988769,-1.3759848787,0.1027037217,0.1027037217,GGA+U,Cm,A5B3C10_mC72_8_2a4b_2a2b_4a8b:Co-Na-O,36.0,"Invalid WP multiplicities - A5B3C10_mC72_8_2a7b_2a3b_4a13b:Co-Na-O, expected Na4Co8O15 to be Na3(CoO2)5" +mp-1186126,NaCoO3,-5.723174786,-1.0689929416,0.2222077933,0.2222077933,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-Na-O,5.0,ABC3_cP5_221_b_a_c:Co-Na-O +mp-776669,Na7Co3O8,-5.4184911275,-1.5209277870000002,0.0527431208,0.0527431208,GGA+U,P-1,A3B7C8_aP36_2_3i_7i_8i:Co-Na-O,36.0,"Invalid WP multiplicities - A3B7C8_aP36_2_5i_13i_15i:Co-Na-O, expected Na13(CoO3)5 to be Na7Co3O8" +mp-561875,Na5Co2O5,-5.3229700958,-1.5260779614,0.0051180554,0.0051180554,GGA+U,C2/c,A2B5C5_mC96_15_2f_5f_5f:Co-Na-O,48.0,"Invalid WP multiplicities - A2B5C5_mC96_15_6f_19f_17f:Co-Na-O, expected Na19Co6O17 to be Na5Co2O5" +mp-1272285,Na2CoO3,-5.5549914375,-1.4560856849,0.0698460088,0.0261666931,GGA+U,P1,AB2C3_aP24_1_4a_8a_12a:Co-Na-O,24.0,AB2C3_aP24_1_4a_8a_12a:Co-Na-O +mp-1294540,Na2CoO3,-5.5607092379,-1.4618034853,0.0641282083,0.0204488926,GGA+U,P1,AB2C3_aP24_1_4a_8a_12a:Co-Na-O,24.0,AB2C3_aP24_1_4a_8a_12a:Co-Na-O +mp-849637,Na2CoO3,-5.5046611758,-1.4057554232,0.1201762704,0.0764969547,GGA+U,P-1,AB2C3_aP12_2_i_2i_3i:Co-Na-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_3i_5i:Co-Na-O, expected Na3CoO5 to be Na2CoO3" +mp-1273032,Na2CoO3,-5.5778668658,-1.4789611132,0.0469705804,0.0032912647,GGA+U,P-1,AB2C3_aP12_2_i_bei_3i:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_bei_5i:Co-Na-O, expected Na2CoO5 to be Na2CoO3" +mp-2699756,Na2CoO3,-5.5169608183,-1.4180550657,0.1078766279,0.0641973122,GGA+U,P-1,AB2C3_aP12_2_i_2i_3i:Co-Na-O,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_3i_5i:Co-Na-O, expected Na3CoO5 to be Na2CoO3" +mp-1274885,Na2CoO3,-5.5838753762,-1.4849696236,0.04096207,-0.0027172457,GGA+U,P2,AB2C3_mP24_3_2a2c_a3bc3d_6e:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_10_2ij_aceh2k2l_2m2n8o:Co-Na-O, expected Na6Co3O20 to be Na2CoO3" +mp-1273151,Na2CoO3,-5.5646011138,-1.4656953611,0.0602363325,0.0165570168,GGA+U,C2,AB2C3_mC48_5_2a2b_ab3c_6c:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_5_2a2b_ab3c_10c:Co-Na-O, expected Na2CoO5 to be Na2CoO3" +mp-1313249,Na2CoO3,-5.5695008154,-1.4705950628,0.0553366308,0.0116573151,GGA+U,Pm,AB2C3_mP24_6_2a2b_4c_2a2b4c:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_6_2a2b_8c_2a2b8c:Co-Na-O, expected Na4CoO5 to be Na2CoO3" +mp-1305077,Na2CoO3,-5.5545676558,-1.4556619032,0.0702697904,0.0265904747,GGA+U,Cm,AB2C3_mC24_8_2a_2b_2a2b:Co-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_8_2a_4b_2a4b:Co-Na-O, expected Na4CoO5 to be Na2CoO3" +mp-759195,Na2CoO3,-5.5162188038,-1.4173130511,0.1086186425,0.0649393268,GGA+U,C2/m,AB2C3_mC24_12_i_aci_ij:Co-Na-O,24.0,AB2C3_mC24_12_i_aci_ij:Co-Na-O +mp-755360,Na2CoO3,-5.5888221875,-1.4899164349,0.0360152588,-0.0076640569,GGA+U,C2/m,AB2C3_mC24_12_g_adh_ij:Co-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_g_ach_2ij:Co-Na-O, expected Na2CoO4 to be Na2CoO3" +mp-756378,Na2CoO3,-5.5433148275,-1.4444090749,0.0815226188,0.0378433031,GGA+U,P2_1/c,AB2C3_mP24_14_e_2e_3e:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_3e_5e:Co-Na-O, expected Na3CoO5 to be Na2CoO3" +mp-776508,Na2CoO3,-5.4430493387,-1.3441435861,0.1817881075,0.1381087918,GGA+U,C2/c,AB2C3_mC48_15_f_2f_3f:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_f_5f_9f:Co-Na-O, expected Na5CoO9 to be Na2CoO3" +mp-804970,Na2CoO3,-2.053757465,2.0451482876,3.5710799813,3.5274006656,GGA+U,C2/c,AB2C3_mC48_15_f_2f_3f:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_f_5f_10f:Co-Na-O, expected Na5CoO10 to be Na2CoO3" +mp-779078,Na2CoO3,-5.5752189392,-1.4763131866,0.0496185071,0.0059391914,GGA+U,C2/c,AB2C3_mC48_15_2e_cef_3f:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_15_3e_2a2e3f_11f:Co-Na-O, expected Na10Co3O22 to be Na2CoO3" +mp-777786,Na2CoO3,-5.6248374463,-1.5259316936,0.0,-0.0436793157,GGA+U,Cmc2_1,AB2C3_oC24_36_a_b_ab:Co-Na-O,24.0,AB2C3_oC24_36_a_b_ab:Co-Na-O +mp-1309481,Na2CoO3,-5.5779830275,-1.4790772749,0.0468544188,0.0031751031,GGA+U,Cmc2_1,AB2C3_oC24_36_a_b_ab:Co-Na-O,12.0,AB2C3_oC24_36_a_b_ab:Co-Na-O +mp-754982,Na2CoO3,-5.4892012575,-1.3902955049,0.1356361888,0.0919568731,GGA+U,Cmce,AB2C3_oC48_64_f_2f_e2f:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_64_f_6f_3e7f:Co-Na-O, expected Na6CoO10 to be Na2CoO3" +mp-756116,Na2CoO3,-5.5015418383,-1.4026360857,0.1232956079,0.0796162922,GGA+U,Fddd,AB2C3_oF96_70_e_2e_fh:Co-Na-O,24.0,"Invalid WP multiplicities - AB2C3_oF96_70_e_5e_2f2h:Co-Na-O, expected Na5CoO6 to be Na2CoO3" +mp-760068,Na4CoO4,-5.0942838317,-1.5181534079,0.0,-0.0024126409,GGA+U,P1,AB4C4_aP72_1_8a_32a_32a:Co-Na-O,72.0,AB4C4_aP72_1_8a_32a_32a:Co-Na-O +mp-777403,Na4CoO4,-5.0899790829,-1.5138486592,0.0043047488,0.0018921079,GGA+U,Pc,AB4C4_mP72_7_4a_16a_16a:Co-Na-O,72.0,AB4C4_mP72_7_4a_16a_16a:Co-Na-O +mp-18151,Rb2Na4Co2O5,-4.9999448488,-1.4460026592,0.0,-0.0089324674,GGA+U,P4_2/mnm,A2B4C5D2_tP26_136_f_de_aj_g:Co-Na-O-Rb,26.0,"Invalid WP multiplicities - A2B4C5D2_tP26_136_f_3d2e_aj_g:Co-Na-O-Rb, expected Rb2Na10Co2O5 to be Rb2Na4Co2O5" +mp-1221448,Na(CoO2)2,-6.3322432657,-1.2856838759,0.1671404889,0.1536048817,GGA+U,P1,A2BC4_aP7_1_2a_a_4a:Co-Na-O,7.0,A2BC4_aP7_1_2a_a_4a:Co-Na-O +mp-1221417,Na(CoO2)2,-6.2491338657,-1.2025744759,0.2502498889,0.2367142817,GGA+U,Amm2,A2BC4_oC14_38_c_a_2c:Co-Na-O,7.0,"Invalid WP multiplicities - A2BC4_oC14_38_c_a_3c:Co-Na-O, expected Na(CoO3)2 to be Na(CoO2)2" +mp-22474,Na(CoO2)2,-6.4993837546,-1.4528243649,0.0,-0.0135356072,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Co-Na-O,28.0,A2BC4_oP28_59_ce_ab_2eg:Co-Na-O +mp-1221405,Na(CoO2)2,-6.1151586457,-1.0685992559,0.3842251089,0.3706895017,GGA+U,R3m,A2BC4_hR21_160_2a_a_4a:Co-Na-O,7.0,A2BC4_hR21_160_2a_a_4a:Co-Na-O +mp-778475,Na4Co2O5,-5.5410095698,-1.5191749952,0.0536854611,0.0536854611,GGA+U,P2_1/c,A2B4C5_mP44_14_2e_4e_5e:Co-Na-O,44.0,"Invalid WP multiplicities - A2B4C5_mP44_14_3e_15e_19e:Co-Na-O, expected Na15Co3O19 to be Na4Co2O5" +mp-777618,Na4Co2O5,-5.4738394402,-1.4520048657,0.1208555907,0.1208555907,GGA+U,P2_1/c,A2B4C5_mP88_14_4e_8e_10e:Co-Na-O,88.0,"Invalid WP multiplicities - A2B4C5_mP88_14_7e_19e_35e:Co-Na-O, expected Na19(CoO5)7 to be Na4Co2O5" +mp-18762,Na4CoO3,-4.8824262794,-1.4776156416,0.0,-0.0118961022,GGA+U,Cc,AB4C3_mC32_9_a_4a_3a:Co-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_8a_5a:Co-Na-O, expected Na8CoO5 to be Na4CoO3" +mp-776641,Na5CoO4,-4.8406408065,-1.4898708958,0.0442781685,0.0442781685,GGA+U,Pmn2_1,AB5C4_oP20_31_a_a2b_2ab:Co-Na-O,20.0,"Invalid WP multiplicities - AB5C4_oP20_31_a_2a4b_4a2b:Co-Na-O, expected Na10CoO8 to be Na5CoO4" +mp-776650,Na5CoO4,-4.871152205,-1.5203822943,0.01376677,0.01376677,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Co-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Co-Na-O, expected Na17CoO13 to be Na5CoO4" +mp-21792,Na5CoO4,-4.8847957222,-1.5340258115,0.0001232527,0.0001232527,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Co-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_10c_4c:Co-Na-O, expected Na10CoO4 to be Na5CoO4" +mp-675264,Na(CoO2)8,-6.089604045,-0.5961605637,0.602451649,0.602451649,GGA+U,P-1,A8BC16_aP50_2_ad7i_i_16i:Co-Na-O,50.0,"Invalid WP multiplicities - A8BC16_aP50_2_ad14i_i_31i:Co-Na-O, expected NaCo15O31 to be Na(CoO2)8" +mp-36875,Na(CoO2)3,-6.030805895,-0.7980448004,0.576014985,0.5434264043,GGA+U,P1,A3BC6_aP10_1_3a_a_6a:Co-Na-O,10.0,A3BC6_aP10_1_3a_a_6a:Co-Na-O +mp-2214604,Na(CoO2)3,-6.397773536,-1.1650124414,0.209047344,0.1764587633,GGA+U,P1,A3BC6_aP10_1_3a_a_6a:Co-Na-O,10.0,A3BC6_aP10_1_3a_a_6a:Co-Na-O +mp-1276259,Na(CoO2)3,-6.571658256,-1.3388971614,0.035162624,0.0025740433,GGA+U,C2,A3BC6_mC20_5_3a_b_3c:Co-Na-O,10.0,"Invalid WP multiplicities - A3BC6_mC20_5_3a_b_5c:Co-Na-O, expected NaCo3O10 to be Na(CoO2)3" +mp-1221438,Na(CoO2)3,-6.60682088,-1.3740597854,0.0,-0.0325885807,GGA+U,C2/m,A3BC6_mC20_12_ag_d_ij:Co-Na-O,20.0,"Invalid WP multiplicities - A3BC6_mC20_12_2a2g_c_ij:Co-Na-O, expected Na(CoO)6 to be Na(CoO2)3" +mp-1276209,Na(CoO2)3,-6.577615822,-1.3448547274,0.029205058,-0.0033835227,GGA+U,C2/m,A3BC6_mC40_12_adgh_i_2i2j:Co-Na-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_12_ad2gh_i_3i7j:Co-Na-O, expected NaCo4O17 to be Na(CoO2)3" +mp-1274032,Na(CoO2)3,-6.5996127895,-1.3668516949,0.0072080905,-0.0253804902,GGA+U,P2/c,A3BC6_mP20_13_3e_f_3g:Co-Na-O,20.0,"Invalid WP multiplicities - A3BC6_mC20_12_2a2g_d_ij:Co-Na-O, expected Na(CoO)6 to be Na(CoO2)3" +mp-690518,Na(CoO2)3,-6.372178596,-1.1394175014,0.234642284,0.2020537033,GGA+U,R3,A3BC6_hR30_146_3a_a_2b:Co-Na-O,10.0,"Invalid WP multiplicities - A3BC6_hR30_146_3a_a_6b:Co-Na-O, expected Na(CoO6)3 to be Na(CoO2)3" +mp-694932,Na(CoO2)3,-1.4092972275,3.8234638671,5.1975236525,5.1649350718,GGA+U,R32,A3BC6_hR60_155_f_c_3cf:Co-Na-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_155_f_c_5c3f:Co-Na-O, expected NaCo3O14 to be Na(CoO2)3" +mp-677260,Na(CoO2)3,-3.2228672835,2.0098938111,3.3839535965,3.3513650158,GGA+U,R32,A3BC6_hR60_155_f_c_3cf:Co-Na-O,20.0,"Invalid WP multiplicities - A3BC6_hR60_155_f_c_5c3f:Co-Na-O, expected NaCo3O14 to be Na(CoO2)3" +mp-550300,RbNa7(CoO3)2,-4.8540604525,-1.470624266,0.0,-0.0094753861,GGA+U,C2/m,A2B7C6D_mC32_12_i_a3i_3i_d:Co-Na-O-Rb,16.0,"Invalid WP multiplicities - A2B7C6D_mC32_12_i_a6i_5i_c:Co-Na-O-Rb, expected RbNa13(CoO5)2 to be RbNa7(CoO3)2" +mp-1173766,Na2(CoO2)3,-5.6892527314,-0.8119676187,0.6831800407,0.6831800407,GGA+U,Amm2,A3B2C6_oC44_38_cf_abd_2c2f:Co-Na-O,22.0,"Invalid WP multiplicities - A3B2C6_oC44_38_c2f_abd_2c6f:Co-Na-O, expected Na2Co5O14 to be Na2(CoO2)3" +mp-1173833,Na2(CoO2)3,-6.1671718386,-1.289886726,0.2052609334,0.2052609334,GGA+U,Amm2,A3B2C6_oC44_38_cf_abd_2c2f:Co-Na-O,22.0,"Invalid WP multiplicities - A3B2C6_oC44_38_c2f_abd_2c6f:Co-Na-O, expected Na2Co5O14 to be Na2(CoO2)3" +mp-1203207,Na2(CoO2)3,-6.3172782485,-1.4399931359,0.0551545235,0.0551545235,GGA+U,R-3c,A3B2C6_hR264_167_bcdf_c2e_4f:Co-Na-O,88.0,A3B2C6_hR264_167_bcdf_c2e_4f:Co-Na-O +mp-774400,Na8Co5O14,-5.690543027,-1.4173788315,0.0773416382,0.0773416382,GGA+U,P-1,A5B8C14_aP54_2_5i_be7i_14i:Co-Na-O,54.0,"Invalid WP multiplicities - A5B8C14_aP54_2_9i_be14i_27i:Co-Na-O, expected Na5(CoO3)3 to be Na8Co5O14" +mp-887528,Na8Co5O14,-4.9509592293,-0.6777950337,0.8169254359,0.8169254359,GGA+U,P-1,A5B8C14_aP54_2_5i_be7i_14i:Co-Na-O,54.0,"Invalid WP multiplicities - A5B8C14_aP54_2_9i_be14i_27i:Co-Na-O, expected Na5(CoO3)3 to be Na8Co5O14" +mp-1114168,Rb2TlAsI6,-2.822893489,-1.0405907093,0.0348067185,0.0348067185,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-I-Rb-Tl +mp-1182620,Ca2Cd(BrO2)6,-4.113001639,-0.6076433517000001,0.3233037549,0.3233037549,GGA,C2/c,A6B2CD12_mC84_15_3f_f_a_6f:Br-Ca-Cd-O,42.0,A6B2CD12_mC84_15_3f_f_a_6f:Br-Ca-Cd-O +mp-1199745,Ca2Cd(BrO2)6,-4.0746349619,-0.5692766745,0.361670432,0.361670432,GGA,C2/c,A6B2CD12_mC84_15_3f_f_c_6f:Br-Ca-Cd-O,42.0,A6B2CD12_mC84_15_3f_f_c_6f:Br-Ca-Cd-O +mp-1225287,Fe4SiO9,-7.7085182079,-1.7209752599,0.1992135658,0.1992135658,GGA+U,P1,A4B9C_aP14_1_4a_9a_a:Fe-O-Si,14.0,A4B9C_aP14_1_4a_9a_a:Fe-O-Si +mp-1225529,Fe4SiO9,-7.7102436229,-1.7227006749,0.1974881508,0.1974881508,GGA+U,P2_1,A4B9C_mP28_4_4a_9a_a:Fe-O-Si,28.0,"Invalid WP multiplicities - A4B9C_mP28_4_7a_17a_a:Fe-O-Si, expected Fe7SiO17 to be Fe4SiO9" +mp-1225408,Fe4SiO9,-7.7072576083,-1.7197146604,0.2004741653,0.2004741653,GGA+U,P3_1,A4B9C_hP42_144_4a_9a_a:Fe-O-Si,42.0,A4B9C_hP42_144_4a_9a_a:Fe-O-Si +mp-1225354,Fe4SiO9,-7.7069596893,-1.7194167413,0.2007720844,0.2007720844,GGA+U,R3,A4B9C_hR84_146_2a2b_6a4b_2a:Fe-O-Si,28.0,A4B9C_hR84_146_2a2b_6a4b_2a:Fe-O-Si +mp-1192103,FeSiO4,-7.6923406679,-2.0786583204,0.2669638614,0.2669638614,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Fe-O-Si,24.0,AB4C_mP24_14_e_4e_e:Fe-O-Si +mp-1102363,FeSiO4,-7.682706405,-2.0690240575,0.2765981243,0.2765981243,GGA+U,Pmn2_1,AB4C_oP12_31_a_2ab_a:Fe-O-Si,12.0,AB4C_oP12_31_a_2ab_a:Fe-O-Si +mp-1191756,FeSiO4,-7.6977911504,-2.0841088029,0.2615133789,0.2615133789,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Fe-O-Si,24.0,AB4C_oP24_62_c_2cd_c:Fe-O-Si +mp-1143147,FeSiO4,-7.5270000729,-1.9133177254,0.4323044564,0.4323044564,GGA+U,Ia-3d,AB4C_cI144_230_c_h_d:Fe-O-Si,72.0,AB4C_cI144_230_c_h_d:Fe-O-Si +mp-705744,Fe5SiO8,-8.1551922366,-1.9159826816,0.0580230055,0.0580230055,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Fe-O-Si,56.0,"Invalid WP multiplicities - A5B8C_mP56_14_15e_28e_e:Fe-O-Si, expected Fe15SiO28 to be Fe5SiO8" +mp-850744,Fe3(SiO4)2,-8.13758986,-2.3041891385,0.1037118737,0.1037118737,GGA+U,P1,A3B8C2_aP39_1_9a_24a_6a:Fe-O-Si,39.0,A3B8C2_aP39_1_9a_24a_6a:Fe-O-Si +mp-28444,Fe3(SiO4)2,-8.1849405412,-2.3515398196,0.0563611925,0.0563611925,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Fe-O-Si,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_ae_6e_e:Fe-O-Si, expected Fe3(SiO6)2 to be Fe3(SiO4)2" +mp-1193684,Fe3Si2O9,-7.9127706475,-2.1427064981,0.1728008593,0.1728008593,GGA+U,C2/m,A3B9C2_mC56_12_acgh_3i3j_j:Fe-O-Si,28.0,A3B9C2_mC56_12_adgh_3i3j_j:Fe-O-Si +mp-1043700,Fe(Si2O5)2,-8.0376479102,-2.7284358807,0.1706322455,0.1706322455,GGA+U,P4/ncc,AB10C4_tP60_130_c_f2g_g:Fe-O-Si,60.0,"Invalid WP multiplicities - AB10C4_tP60_130_c_f5g_g:Fe-O-Si, expected Fe(Si2O11)2 to be Fe(Si2O5)2" +mp-758271,Fe8SiO12,-8.1146209624,-1.8029184745,0.0617276693,0.0617276693,GGA+U,P2_1/m,A8B12C_mP42_11_a5ef_6e3f_e:Fe-O-Si,42.0,"Invalid WP multiplicities - A8B12C_mP42_11_2a10e2f_12e11f_e:Fe-O-Si, expected Fe16SiO34 to be Fe8SiO12" +mp-25231,Fe(SiO3)2,-7.9449429064,-2.5004107356,0.1526814153,0.1526814153,GGA+U,P2_1/c,AB6C2_mP36_14_e_6e_2e:Fe-O-Si,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_23e_3e:Fe-O-Si, expected FeSi3O23 to be Fe(SiO3)2" +mp-25240,Fe(SiO3)2,-7.95768388,-2.5131517092,0.1399404417,0.1399404417,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Fe-O-Si,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_10f_f:Fe-O-Si, expected Fe(SiO10)2 to be Fe(SiO3)2" +mp-1203128,Fe(SiO3)2,-8.0133797653,-2.5688475944,0.0842445565,0.0842445565,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2f:Fe-O-Si,36.0,AB6C2_mC72_15_f_6f_2f:Fe-O-Si +mp-1253019,Fe(SiO3)2,-7.9206354015,-2.4761032307,0.1769889202,0.1769889202,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Fe-O-Si,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_41c_8c:Fe-O-Si, expected FeSi8O41 to be Fe(SiO3)2" +mp-1178317,Fe39Si3O56,-8.0878128091,-1.7243296549,0.0622025294,0.0622025294,GGA+U,C2,A39B56C3_mC196_5_a19c_28c_bc:Fe-O-Si,98.0,"Invalid WP multiplicities - A39B56C3_mC196_5_a37c_56c_bc:Fe-O-Si, expected Fe75Si3O112 to be Fe39Si3O56" +mp-1197365,Fe7(SiO4)4,-8.2566506607,-2.3255973285,0.0274357677,0.0274357677,GGA+U,P2_1/c,A7B16C4_mP54_14_a3e_8e_2e:Fe-O-Si,54.0,A7B16C4_mP54_14_a3e_8e_2e:Fe-O-Si +mp-1198345,Fe5(SiO4)3,-8.2347035604,-2.3353873266000003,0.0354778422,0.0354778422,GGA+U,Pnma,A5B12C3_oP80_62_c2d_2c5d_cd:Fe-O-Si,80.0,A5B12C3_oP80_62_c2d_2c5d_cd:Fe-O-Si +mp-555755,Fe5(SiO4)3,-8.2199546221,-2.3206383884,0.0502267805,0.0502267805,GGA+U,Ia-3d,A5B12C3_cI160_230_ac_h_d:Fe-O-Si,80.0,"Invalid WP multiplicities - A5B12C3_cI160_230_5a5c_h_d:Fe-O-Si, expected Fe25(SiO4)3 to be Fe5(SiO4)3" +mp-818295,Fe9Si6O25,-8.1170538577,-2.3058209364,0.0976020427,0.0976020427,GGA+U,P2_1/c,A9B25C6_mP160_14_9e_25e_6e:Fe-O-Si,160.0,A9B25C6_mP160_14_9e_25e_6e:Fe-O-Si +mp-1212736,Fe7(SiO3)8,-8.2720686613,-2.5948065644,0.0397646835,0.0397646835,GGA+U,C2/m,A7B24C8_mC78_12_ag2h_2i5j_2j:Fe-O-Si,39.0,A7B24C8_mC78_12_ag2h_2i5j_2j:Fe-O-Si +mp-650392,FeSiO3,-8.3175755608,-2.5704944860000003,0.0213741627,0.0213741627,GGA+U,P-1,AB3C_aP90_2_9i_27i_9i:Fe-O-Si,90.0,"Invalid WP multiplicities - AB3C_aP90_2_17i_52i_17i:Fe-O-Si, expected Fe17Si17O52 to be FeSiO3" +mp-18269,FeSiO3,-8.322428204,-2.5753471293,0.0165215195,0.0165215195,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Fe-O-Si,20.0,AB3C_mC40_15_2e_3f_f:Fe-O-Si +mp-1199561,FeSiO3,-8.3249506822,-2.5778696075000003,0.0139990412,0.0139990412,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Fe-O-Si,40.0,AB3C_mP40_14_2e_6e_2e:Fe-O-Si +mp-561362,FeSiO3,-8.256560125,-2.5094790503,0.0823895985,0.0823895985,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Fe-O-Si,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_8f_f:Fe-O-Si, expected Fe2SiO8 to be FeSiO3" +mp-21939,FeSiO3,-8.3253322321,-2.5782511574,0.0136174914,0.0136174914,GGA+U,Pbca,AB3C_oP80_61_2c_6c_2c:Fe-O-Si,80.0,"Invalid WP multiplicities - AB3C_oP80_61_2c_9c_2c:Fe-O-Si, expected Fe2Si2O9 to be FeSiO3" +mp-760116,Fe31Si5O48,-8.1439994327,-1.8685434113,0.0507825042,0.0507825042,GGA+U,P1,A31B48C5_aP84_1_31a_48a_5a:Fe-O-Si,84.0,A31B48C5_aP84_1_31a_48a_5a:Fe-O-Si +mp-764962,Fe25Si11O48,-8.2525357354,-2.1945585125,0.052846033,0.052846033,GGA+U,Cm,A25B48C11_mC168_8_5a10b_8a20b_3a4b:Fe-O-Si,84.0,"Invalid WP multiplicities - A25B48C11_mC168_8_5a19b_8a35b_3a8b:Fe-O-Si, expected Fe43Si19O78 to be Fe25Si11O48" +mp-1192494,Fe2SiO4,-8.3182577896,-2.2965270332,0.0055572839,-0.0314460538,GGA+U,P2_1/c,A2B4C_mP28_14_ade_4e_e:Fe-O-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2ade_7e_e:Fe-O-Si, expected Fe5(SiO7)2 to be Fe2SiO4" +mp-18816,Fe2SiO4,-8.2851724243,-2.2634416679,0.0386426493,0.0016393115,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Fe-O-Si,14.0,A2B4C_cF56_227_c_e_b:Fe-O-Si +mp-20313,Fe2SiO4,-8.3238150736,-2.3020843171,0.0,-0.0370033378,GGA+U,Pnma,A2B4C_oP28_62_ac_2cd_c:Fe-O-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_2cd_c:Fe-O-Si, expected Fe4SiO4 to be Fe2SiO4" +mp-1103684,Fe2SiO4,-7.9253645771,-1.9036338207,0.3984504964,0.3614471587,GGA+U,Imma,A2B4C_oI28_74_ac_hi_b:Fe-O-Si,14.0,A2B4C_oI28_74_ac_hi_b:Fe-O-Si +mp-675586,Fe2SiO4,-8.1548207752,-2.1330900188,0.1689942983,0.1319909606,GGA+U,P3m1,A2B4C_hP42_156_2ab3d_2a2b2c6d_a2b3c:Fe-O-Si,42.0,"Invalid WP multiplicities - A2B4C_hP42_156_2ab6d_2a2b2c16d_a2b3c:Fe-O-Si, expected Fe7(SiO9)2 to be Fe2SiO4" +mp-758206,Fe35SiO48,-8.076109312,-1.6556674249,0.0449394039,0.0449394039,GGA+U,Cm,A35B48C_mC168_8_7a14b_8a20b_a:Fe-O-Si,84.0,"Invalid WP multiplicities - A35B48C_mC168_8_7a21b_8a32b_a:Fe-O-Si, expected Fe49SiO72 to be Fe35SiO48" +mp-773636,Fe19(SiO4)12,-8.2026882697,-2.3359126053,0.0532360811,0.0532360811,GGA+U,P-1,A19B48C12_aP79_2_a9i_24i_6i:Fe-O-Si,79.0,"Invalid WP multiplicities - A19B48C12_aP79_2_a18i_48i_11i:Fe-O-Si, expected Fe37(Si11O48)2 to be Fe19(SiO4)12" +mp-763339,Fe7(SiO6)2,-8.1881271355,-2.0214105133,0.0619547171,0.0619547171,GGA+U,C2/c,A7B12C2_mC84_15_ace2f_6f_f:Fe-O-Si,42.0,"Invalid WP multiplicities - A7B12C2_tI84_141_2a2c4h_8h_e:Fe-O-Si, expected Fe11SiO16 to be Fe7(SiO6)2" +mp-758216,Fe7(SiO6)2,-8.1711843131,-2.004467691,0.0788975395,0.0788975395,GGA+U,I4_1/amd,A7B12C2_tI84_141_ach_3h_e:Fe-O-Si,42.0,"Invalid WP multiplicities - A7B12C2_tI84_141_2a2c4h_8h_e:Fe-O-Si, expected Fe11SiO16 to be Fe7(SiO6)2" +mp-744274,Fe(Si2O3)2,-7.37554208,-1.9345033893,0.8258827502,0.8258827502,GGA+U,P1,AB6C4_aP11_1_a_6a_4a:Fe-O-Si,11.0,AB6C4_aP11_1_a_6a_4a:Fe-O-Si +mp-696839,Fe(Si2O3)2,-7.0081607673,-1.5671220766,1.193264063,1.193264063,GGA+U,P1,AB6C4_aP11_1_a_6a_4a:Fe-O-Si,11.0,AB6C4_aP11_1_a_6a_4a:Fe-O-Si +mp-1225100,Fe7SiO10,-8.1290008567,-1.7855367671,0.0791688861,0.0791688861,GGA+U,Cm,A7B10C_mC36_8_7a_10a_a:Fe-O-Si,18.0,A7B10C_mC36_8_7a_10a_a:Fe-O-Si +mp-22635,Fe7SiO10,-8.1225883578,-1.7791242682,0.085581385,0.085581385,GGA+U,P2_1/m,A7B10C_mP36_11_7e_10e_e:Fe-O-Si,36.0,"Invalid WP multiplicities - A7B10C_mP36_11_9e_10e_e:Fe-O-Si, expected Fe9SiO10 to be Fe7SiO10" +mp-6670,Cr2Fe3(SiO4)3,-8.5202223799,-2.5026035201,0.0469256241,0.0469256241,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cr-Fe-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cr-Fe-O-Si +mp-541956,CsTiAsO5,-7.3167843497,-2.5438523059,0.0,-0.0465855044,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:As-Cs-O-Ti,64.0,ABC5D_oP64_33_2a_2a_10a_2a:As-Cs-O-Ti +mp-1202506,Ba2FeBiS5,-5.5425922933,-1.4502912317,0.0157877773,0.0157877773,GGA,Pnma,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Fe-S,36.0,A2BCD5_oP36_62_d_c_c_3cd:Ba-Bi-Fe-S +mp-561185,Cs2Sn2Hg3S8,-3.708749974,-0.7879107417000001,0.0,-0.0166984497,GGA,P-1,A2B3C8D2_aP15_2_i_ai_4i_i:Cs-Hg-S-Sn,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_i_a2i_8i_i:Cs-Hg-S-Sn, expected Cs2Sn2Hg5S16 to be Cs2Sn2Hg3S8" +mp-1221961,MgScAlO4,-7.9882674971,-3.4932560929,0.0482331546,0.0482331546,GGA,R3m,ABC4D_hR21_160_a_a_4a_a:Al-Mg-O-Sc,7.0,ABC4D_hR21_160_a_a_4a_a:Al-Mg-O-Sc +mp-977580,MgSc2Al,-4.7871091775,-0.284410655,0.0,-0.0148736467,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Mg-Sc,4.0,ABC2_cF16_225_a_b_c:Al-Mg-Sc +mp-1185731,Mg16ScAl12,-2.6997192076000003,-0.048551626,0.0375219842,0.0375219842,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Sc,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Sc, expected Mg26ScAl20 to be Mg16ScAl12" +mp-1185727,Mg16ScAl12,-2.7091608245,-0.0579932429,0.0280803673,0.0280803673,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Sc,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b4c_a:Al-Mg-Sc, expected Mg49ScAl39 to be Mg16ScAl12" +mp-1185726,Mg16ScAl12,-2.7125730793,-0.0614054978,0.0246681125,0.0246681125,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Sc,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Sc, expected Mg60ScAl12 to be Mg16ScAl12" +mp-1222004,MgSc5Al4,-5.193362794,-0.3688699045,0.012943471,0.012943471,GGA,P4/mmm,A4BC5_tP10_123_2g_a_d2h:Al-Mg-Sc,10.0,"Invalid WP multiplicities - A4BC5_tP10_123_3g_a_d3h:Al-Mg-Sc, expected MgSc7Al6 to be MgSc5Al4" +mp-1212196,Rb2Nb2Si2O11,-7.6879096322,-2.545092567,0.3120496691,0.3120496691,GGA,P4_122,A2B11C2D2_tP136_91_2d_2c10d_acd_2d:Nb-O-Rb-Si,136.0,A2B11C2D2_tP136_91_2d_2c10d_acd_2d:Nb-O-Rb-Si +mp-1202769,Rb2Nb2Si2O11,-7.688883144,-2.5460660787,0.3110761574,0.3110761574,GGA,P4_322,A2B11C2D2_tP136_95_2d_2c10d_acd_2d:Nb-O-Rb-Si,136.0,A2B11C2D2_tP136_95_2d_2c10d_acd_2d:Nb-O-Rb-Si +mp-1196756,NbSi4O13,-7.7874525172,-2.4480341613,0.3208149646,0.3208149646,GGA,P2_1/m,AB13C4_mP36_11_e_a4e4f_2ef:Nb-O-Si,36.0,AB13C4_mP36_11_e_a4e4f_2ef:Nb-O-Si +mp-542121,Rb4Nb2Si8O23,-7.9968341897,-3.096803623,0.0,-0.0166267349,GGA,P-1,A2B23C4D8_aP37_2_i_a11i_2i_4i:Nb-O-Rb-Si,37.0,A2B23C4D8_aP37_2_i_a11i_2i_4i:Nb-O-Rb-Si +mp-1219967,RbNbSiO5,-8.1810983022,-3.0260232148,0.009690411,-0.0162760221,GGA,C2,AB5CD_mC256_5_8c_2a2b38c_ab7c_8c:Nb-O-Rb-Si,128.0,"Invalid WP multiplicities - AB5CD_mC256_5_16c_2a2b74c_ab12c_16c:Nb-O-Rb-Si, expected Rb13Nb16(Si4O19)4 to be RbNbSiO5" +mp-557778,RbNbSiO5,-8.1907887132,-3.0357136259,0.0,-0.0259664331,GGA,P2_12_12_1,AB5CD_oP96_19_3a_15a_3a_3a:Nb-O-Rb-Si,96.0,"Invalid WP multiplicities - AB5CD_oP96_19_9a_58a_9a_11a:Nb-O-Rb-Si, expected Rb9Nb9Si11O58 to be RbNbSiO5" +mp-1040512,Nb3SiO10,-8.9005497693,-2.8151126077,0.1615155248,0.1615155248,GGA,P1,A3B10C_aP14_1_3a_10a_a:Nb-O-Si,14.0,A3B10C_aP14_1_3a_10a_a:Nb-O-Si +mp-1036469,Mg14AlBiO16,-6.1634927462,-2.7529613387,0.2363195891,0.2363195891,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Bi-Mg-O, expected Mg18AlBiO20 to be Mg14AlBiO16" +mp-1036452,Mg14AlBiO16,-6.1253429247,-2.7148115172,0.2744694107,0.2744694107,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Bi-Mg-O, expected Mg30AlBiO32 to be Mg14AlBiO16" +mp-1028163,Mg14AlBi,-1.86851123,0.0058628738,0.0626567589,0.0626567589,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Bi-Mg, expected Mg18AlBi to be Mg14AlBi" +mp-1028236,Mg14AlBi,-1.8850187188,-0.010644615,0.0461492702,0.0461492702,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Bi-Mg, expected Mg26AlBi to be Mg14AlBi" +mp-1023262,Mg6AlBi,-2.1502218656,-0.0017537081,0.0845961903,0.0845961903,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Bi-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Bi-Mg, expected Mg12AlBi to be Mg6AlBi" +mp-1023268,Mg6AlBi,-2.1475900719,0.0008780856,0.0872279841,0.0872279841,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Bi-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Bi-Mg, expected Mg12AlBi to be Mg6AlBi" +mp-1038202,Mg30AlBiO32,-6.2280572756,-2.8860493816,0.1356112321,0.1356112321,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Bi-Mg-O, expected Mg110AlBiO72 to be Mg30AlBiO32" +mp-1038205,Mg30AlBiO32,-6.2480580127,-2.9060501186,0.115610495,0.115610495,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Bi-Mg-O, expected Mg90AlBiO80 to be Mg30AlBiO32" +mp-1234040,MgAl(Bi3O5)4,-6.1639714606,-1.7414567646,0.1217987462,0.1217987462,GGA,P1,AB12CD20_aP34_1_a_12a_a_20a:Al-Bi-Mg-O,34.0,AB12CD20_aP34_1_a_12a_a_20a:Al-Bi-Mg-O +mp-1234205,MgAl(Bi3O5)4,-6.1720300962,-1.7495154001,0.1137401107,0.1137401107,GGA,C2,AB12CD20_mC68_5_a_6c_b_10c:Al-Bi-Mg-O,34.0,"Invalid WP multiplicities - AB12CD20_mC68_5_a_11c_b_15c:Al-Bi-Mg-O, expected MgAl(Bi11O15)2 to be MgAl(Bi3O5)4" +mp-1234982,MgAl(Bi3O5)4,-6.1540480071,-1.7315333110000002,0.1317221998,0.1317221998,GGA,C2,AB12CD20_mC68_5_a_6c_a_10c:Al-Bi-Mg-O,34.0,"Invalid WP multiplicities - AB12CD20_mC68_5_a_10c_a_18c:Al-Bi-Mg-O, expected MgAl(Bi5O9)4 to be MgAl(Bi3O5)4" +mp-1233060,MgAl(Bi3O5)4,-6.1857182009,-1.7632035049,0.100052006,0.100052006,GGA,R3,AB12CD20_hR102_146_a_4b_a_2a6b:Al-Bi-Mg-O,34.0,"Invalid WP multiplicities - AB12CD20_hR102_146_a_9b_a_2a11b:Al-Bi-Mg-O, expected MgAlBi27O35 to be MgAl(Bi3O5)4" +mp-1233723,MgAl(Bi3O5)4,-6.1508797376,-1.7283650416,0.1348904692,0.1348904692,GGA,R3,AB12CD20_hR102_146_a_4b_a_2a6b:Al-Bi-Mg-O,34.0,"Invalid WP multiplicities - AB12CD20_hR102_146_a_12b_a_2a14b:Al-Bi-Mg-O, expected MgAl(Bi9O11)4 to be MgAl(Bi3O5)4" +mp-1185644,Mg16Al12Bi,-2.5728917555,-0.0076545179,0.0350011774,0.0350011774,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Bi-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a9b5c:Al-Bi-Mg, expected Mg58Al48Bi to be Mg16Al12Bi" +mp-1185650,Mg16Al12Bi,-2.5503638783,0.0148733593,0.0575290547,0.0575290547,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Bi-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_4c4g:Al-Bi-Mg, expected Mg64Al12Bi to be Mg16Al12Bi" +mp-1033019,Mg6AlBiO8,-5.9217495244,-2.37417109,0.5503504664000001,0.5503504664000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Bi-Mg-O, expected Mg6AlBiO12 to be Mg6AlBiO8" +mp-1033073,Mg6AlBiO8,-6.0145060906,-2.4669276562,0.4575939002,0.4575939002,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Bi-Mg-O, expected Mg6AlBiO12 to be Mg6AlBiO8" +mp-1111833,Cs2LiYBr6,-4.152702437,-2.2042655666,0.0,-0.0041555095,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Li-Y +mp-559141,Ba5Cu4ClF17,-5.3236976715,-3.0890539497,0.0,-0.006168947,GGA,P-62m,A5BC4D17_hP81_189_cghi_ae_fgi_g2ijk2l:Ba-Cl-Cu-F,81.0,"Invalid WP multiplicities - A5BC4D17_hP81_189_c2g3h5i_ae_3f3g3i_3g12i6j6k20l:Ba-Cl-Cu-F, expected Ba50Cu36(ClF131)3 to be Ba5Cu4ClF17" +mp-1113000,Cs2LiTaI6,-3.624567009,-1.1847966749,0.1276884751,0.1276884751,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Ta +mp-864917,Dy2NiRu,-6.461656915,-0.39462869,0.0024636643,0.0024636643,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ni-Ru,4.0,A2BC_cF16_225_c_a_b:Dy-Ni-Ru +mp-1213197,Dy2NiRuO6,-8.0486223005,-2.6537977838,0.0327218495,0.0327218495,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Dy-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Dy-Ni-O-Ru +mp-19265,DyNiO3,-7.5495538435,-2.5041559128,0.0,-0.0101109531,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Dy-Ni-O,20.0,ABC3_oP20_62_c_a_cd:Dy-Ni-O +mp-1113487,Rb2FeCuF6,-5.139468652,-2.539551669,0.0520033392,0.0520033392,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Fe-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Fe-Rb +mp-1219597,RbFeCuF6,-5.2622547322,-2.4824063147,0.0009639594,0.0009639594,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Cu-F-Fe-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Cu-F-Fe-Rb, expected RbFeCuF12 to be RbFeCuF6" +mp-19119,Sr2NiOsO6,-7.088171617,-2.0815092886,0.1233126145,0.1233126145,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Ni-O-Os-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Ni-O-Os-Sr +mp-550437,GdTe2ClO5,-7.2801882511,-2.0641088908,0.115074071,0.115074071,GGA,P4/mmm,ABC5D2_tP9_123_b_a_ci_h:Cl-Gd-O-Te,9.0,"Invalid WP multiplicities - ABC5D2_tP9_123_b_a_c2i_h:Cl-Gd-O-Te, expected GdTe2ClO9 to be GdTe2ClO5" +mp-1220833,Pr9Ni24Sn49,-4.9743089162,-0.3618643673,0.0078002166,0.0078002166,GGA,C2/m,A24B9C49_mC164_12_4i4j_aefj_d8i8j:Ni-Pr-Sn,82.0,"Invalid WP multiplicities - A24B9C49_mC164_12_6i11j_ae2f2j_c12i22j:Ni-Pr-Sn, expected Pr15Ni56Sn113 to be Pr9Ni24Sn49" +mp-1068489,Pr2Ni2Sn,-5.52624786,-0.499916515,0.0,-0.0047918726,GGA,Immm,A2B2C_oI10_71_e_g_c:Ni-Pr-Sn,5.0,A2B2C_oI10_71_e_g_c:Ni-Pr-Sn +mp-1219950,Pr6Ni3Sn14,-5.0240318896,-0.5822992574,0.0,-0.0248199445,GGA,Pmm2,A3B6C14_oP23_25_2ab_ab2c2d_4a4b3c3d:Ni-Pr-Sn,23.0,A3B6C14_oP23_25_2ab_ab2c2d_4a4b3c3d:Ni-Pr-Sn +mp-1103584,Pr3Ni2Sn7,-4.546123365,-0.0486238975,0.5181348473,0.5181348473,GGA,Cmmm,A2B3C7_oC24_65_g_ah_d2gh:Ni-Pr-Sn,12.0,A2B3C7_oC24_65_g_ah_d2gh:Ni-Pr-Sn +mp-510581,PrNiSnH2,-4.873395202,-0.6021819260000001,0.0,-0.0523731791,GGA,P6_3/mmc,A2BCD_hP10_194_f_c_a_d:H-Ni-Pr-Sn,10.0,A2BCD_hP10_194_f_c_a_d:H-Ni-Pr-Sn +mp-567909,Pr(NiSn)2,-5.35875491,-0.486690345,0.0,-0.0030795185,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Pr-Sn,5.0,A2BC2_tI10_139_d_a_e:Ni-Pr-Sn +mp-22164,PrNiSn,-5.4664603075,-0.6095888775,0.0,-0.0605488286,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Pr-Sn,12.0,ABC_oP12_62_c_c_c:Ni-Pr-Sn +mp-22376,PrNiSn,-5.4605066644,-0.6036352344,0.0059536431,-0.0545951855,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Pr-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_f_g:Ni-Pr-Sn, expected Pr3Ni5Sn3 to be PrNiSn" +mp-1193428,PrNi5Sn,-5.7037943786,-0.3193428057,0.0,-0.0028196312,GGA,P6_3/mmc,A5BC_hP28_194_bcfk_ad_f:Ni-Pr-Sn,28.0,A5BC_hP28_194_bcfk_ad_f:Ni-Pr-Sn +mp-1104946,Pr(Ni2Sn)2,-5.5365348993,-0.4050211586,0.0,-0.0285600595,GGA,I4/mcm,A4BC2_tI28_140_l_a_h:Ni-Pr-Sn,14.0,A4BC2_tI28_140_l_a_h:Ni-Pr-Sn +mp-510579,PrNiSnH,-5.1196192487,-0.628784165,0.0,-0.0238246322,GGA,Pnma,ABCD_oP16_62_c_c_c_c:H-Ni-Pr-Sn,16.0,ABCD_oP16_62_c_c_c_c:H-Ni-Pr-Sn +mp-22997,PbBrCl,-3.8109482183,-1.4395441983,0.0155881188,0.0155881188,GGA,Pnma,ABC_oP12_62_c_c_c:Br-Cl-Pb,12.0,ABC_oP12_62_c_c_c:Br-Cl-Pb +mp-995147,PbBrCl,-3.7684105783,-1.3970065583,0.0581257588,0.0581257588,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-Cl-Pb,6.0,ABC_tP6_129_c_a_c:Br-Cl-Pb +mp-1220190,Pb12Br7ClO8,-4.9562534746,-1.4975031354,8.10298e-05,8.10298e-05,GGA,Pm,A7BC8D12_mP28_6_3a4b_a_4c_6a6b:Br-Cl-O-Pb,28.0,"Invalid WP multiplicities - A7BC8D12_mP28_6_3a4b_a_8c_6a6b:Br-Cl-O-Pb, expected Pb12Br7ClO16 to be Pb12Br7ClO8" +mp-1220145,Pb12BrCl7O8,-5.0827323421,-1.5606587893,0.000939752,0.000939752,GGA,Pm,AB7C8D12_mP28_6_a_3a4b_4c_6a6b:Br-Cl-O-Pb,28.0,"Invalid WP multiplicities - AB7C8D12_mP28_6_a_3a4b_8c_6a6b:Br-Cl-O-Pb, expected Pb12BrCl7O16 to be Pb12BrCl7O8" +mp-1112408,Rb2HgAsF6,-4.223925252,-2.38465118,0.0947772345,0.0947772345,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-Rb +mp-9703,K2LiGaAs2,-3.3299457017,-0.5839367695000001,0.0,-0.0576918759,GGA,Cmce,A2BC2D_oC48_64_ef_d_ef_d:As-Ga-K-Li,24.0,"Invalid WP multiplicities - A2BC2D_oC48_64_2e2f_d_2e2f_d:As-Ga-K-Li, expected K4LiGaAs4 to be K2LiGaAs2" +mp-729273,Tb2Te4O11,-6.7395393376,-2.2539198319,0.0514691179,-0.0263711592,GGA,P1,A11B2C4_aP34_1_22a_4a_8a:O-Tb-Te,34.0,A11B2C4_aP34_1_22a_4a_8a:O-Tb-Te +mp-31245,Tb2Te4O11,-6.7910084556,-2.3053889499,0.0,-0.0778402771,GGA,C2/c,A11B2C4_mC68_15_e5f_f_2f:O-Tb-Te,34.0,"Invalid WP multiplicities - A11B2C4_mC68_15_e6f_f_2f:O-Tb-Te, expected Tb2Te4O13 to be Tb2Te4O11" +mp-1211213,Li3Tb3(TeO6)2,-7.0350617227,-2.7712245617,0.0,-0.1187894884,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Tb-Te,80.0,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Tb-Te +mp-1187377,TbTeO3,-6.135461924,-1.6119142986,1.1028784879,1.1028784879,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Tb-Te,5.0,A3BC_cP5_221_c_a_b:O-Tb-Te +mp-16036,Tb2TeO2,-7.790402108,-3.3293190048,0.0,-0.1162599055,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:O-Tb-Te,5.0,A2B2C_tI10_139_d_e_a:O-Tb-Te +mp-1219698,PrBiRu2O7,-7.6455701873,-2.0276591924,0.0172383239,0.0172383239,GGA,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Bi-O-Pr-Ru,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e4j_c_bd:Bi-O-Pr-Ru, expected PrBiRu2O21 to be PrBiRu2O7" +mp-1219861,Pr3Bi(Ru2O7)2,-7.9235259141,-2.262868709,0.022763004,0.022763004,GGA,R-3m,AB14C3D4_hR66_166_a_c2h_d_be:Bi-O-Pr-Ru,22.0,"Invalid WP multiplicities - AB14C3D4_hR66_166_a_c4h_d_be:Bi-O-Pr-Ru, expected Pr3Bi(Ru2O13)2 to be Pr3Bi(Ru2O7)2" +mp-1219692,PrBi3(Ru2O7)2,-7.369010903599999,-1.793846119,0.0103172006,0.0103172006,GGA,R-3m,A3B14CD4_hR66_166_d_c2h_a_be:Bi-O-Pr-Ru,22.0,"Invalid WP multiplicities - A3B14CD4_hR66_166_d_c4h_a_be:Bi-O-Pr-Ru, expected PrBi3(Ru2O13)2 to be PrBi3(Ru2O7)2" +mp-1224726,Gd3Bi(Ru2O7)2,-8.5203778959,-1.5921911701,0.7235708656000001,0.7235708656000001,GGA,R-3m,AB3C14D4_hR66_166_a_d_c2h_be:Bi-Gd-O-Ru,22.0,"Invalid WP multiplicities - AB3C14D4_hR66_166_a_d_c4h_be:Bi-Gd-O-Ru, expected Gd3Bi(Ru2O13)2 to be Gd3Bi(Ru2O7)2" +mp-1228183,Ba4Re2NiO12,-7.7490714053,-2.6066842818,0.0,-0.0345664399,GGA+U,R3m,A4BC12D2_hR57_160_4a_a_4b_2a:Ba-Ni-O-Re,19.0,A4BC12D2_hR57_160_4a_a_4b_2a:Ba-Ni-O-Re +mp-20286,Ba2ReNiO6,-7.617303484,-2.4430288828,0.033321185,0.033321185,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-Re +mp-1111410,Na2TiHgF6,-5.07729023,-2.8459805526,0.3031843535,0.3031843535,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ti +mp-621964,K2RbBiSe3,-3.6718101679,-1.1675879494,0.0,-0.0101456263,GGA,P2_13,AB2CD3_cP28_198_a_2a_a_b:Bi-K-Rb-Se,28.0,AB2CD3_cP28_198_a_2a_a_b:Bi-K-Rb-Se +mp-1192206,Ce3BeCrS7,-6.8336445658,-1.8214048268,0.0638971508,0.0638971508,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Be-Ce-Cr-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Be-Ce-Cr-S +mp-18330,Sr3ZnRhO6,-6.3501716909,-2.4072022266,0.0,-0.006613054,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Zn,22.0,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Zn +mp-5146,Zn(RhO2)2,-6.4129134886,-1.3021828893,0.0,-0.0061566496,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:O-Rh-Zn,14.0,A4B2C_cF56_227_e_c_b:O-Rh-Zn +mp-1016880,ZnRhO3,-5.378909364,-0.6860858413,0.762410017,0.762410017,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Rh-Zn,5.0,A3BC_cP5_221_c_b_a:O-Rh-Zn +mp-1039666,RbHfMg30O31,-6.2436453511,-2.8739076582000003,0.1304321325,0.1304321325,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i_b:Hf-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i_b:Hf-Mg-O-Rb, expected RbHfMg38O39 to be RbHfMg30O31" +mp-1039707,RbHfMg30O31,-6.2421257024,-2.8723880095,0.1319517812,0.1319517812,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i_b:Hf-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i_b:Hf-Mg-O-Rb, expected RbHfMg38O39 to be RbHfMg30O31" +mp-1039669,RbHfMg30O31,-6.232045323,-2.8623076301,0.1420321606,0.1420321606,GGA,Pmm2,AB30C31D_oP63_25_a_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i_d:Hf-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i_d:Hf-Mg-O-Rb, expected RbHfMg38O39 to be RbHfMg30O31" +mp-1039650,RbHfMg30O31,-6.240030421,-2.8702927281,0.1340470627,0.1340470627,GGA,P4mm,AB30C31D_tP63_99_a_ab2c2d2e2f_2ab2c2d2e2f_b:Hf-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_tP63_99_a_ab2c2d6e6f_2ab2c2d6e6f_b:Hf-Mg-O-Rb, expected RbHfMg62O63 to be RbHfMg30O31" +mp-1026617,RbHfMg14,-1.8785020344,0.2053507033,0.222505195,0.222505195,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Rb, expected RbHfMg18 to be RbHfMg14" +mp-1026594,RbHfMg14,-1.9043710144,0.1794817233,0.196636215,0.196636215,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Rb, expected RbHfMg26 to be RbHfMg14" +mp-1017066,RbHfMg6,-2.2640077438,0.3034176816,0.3181215316,0.3181215316,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Rb, expected RbHfMg12 to be RbHfMg6" +mp-1017189,RbHfMg6,-2.2616883631,0.3057370622,0.3204409122,0.3204409122,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Rb, expected RbHfMg12 to be RbHfMg6" +mp-1033983,RbHfMg14O15,-6.1372874861,-2.6681915354,0.2848445045,0.2848445045,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb +mp-1034045,RbHfMg14O15,-6.1336265987,-2.664530648,0.2885053919,0.2885053919,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Hf-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Hf-Mg-O-Rb +mp-1034206,RbHfMg14O15,-6.2171666758,-2.7480707251,0.2049653148,0.2049653148,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Hf-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:Hf-Mg-O-Rb +mp-1099228,RbHfMg14O15,-6.1942106845,-2.7251147338,0.2279213061,0.2279213061,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb +mp-1034945,RbHfMg14O15,-6.219504521,-2.7504085703000003,0.2026274696,0.2026274696,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:Hf-Mg-O-Rb +mp-863749,Rb2Hf2O5,-8.3166970744,-3.1379315454,0.0,-0.0796278972,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Hf-O-Rb,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Hf-O-Rb, expected Rb2Hf2O9 to be Rb2Hf2O5" +mp-1033722,RbHfMg6O7,-6.1192019113,-2.4414536192,0.4038445439,0.4038445439,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_a2b2c_a:Hf-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_a2b4c_a:Hf-Mg-O-Rb, expected RbHfMg10O11 to be RbHfMg6O7" +mp-1033646,RbHfMg6O7,-6.14033662,-2.4625883279,0.3827098352,0.3827098352,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_2ab2c_a:Hf-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_2ab4c_a:Hf-Mg-O-Rb, expected RbHfMg10O11 to be RbHfMg6O7" +mp-1033679,RbHfMg6O7,-6.257200562,-2.5794522699,0.2658458932,0.2658458932,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_2ab2c_b:Hf-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_2ab4c_b:Hf-Mg-O-Rb, expected RbHfMg10O11 to be RbHfMg6O7" +mp-1033667,RbHfMg6O7,-6.2805251893000005,-2.6027768972,0.2425212659,0.2425212659,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_a2b2c_b:Hf-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_a2b4c_b:Hf-Mg-O-Rb, expected RbHfMg10O11 to be RbHfMg6O7" +mp-1195474,MnSb3XeF23,-4.4676527687,-2.1266095746,0.1169298054,0.1169298054,GGA+U,P2_1/c,A23BC3D_mP112_14_23e_ad_3e_e:F-Mn-Sb-Xe,112.0,A23BC3D_mP112_14_23e_ad_3e_e:F-Mn-Sb-Xe +mp-1195126,MnSb3XeF23,-4.5660012202,-2.2249580261,0.0185813539,0.0185813539,GGA+U,Pnma,A23BC3D_oP112_62_5c9d_a_cd_c:F-Mn-Sb-Xe,112.0,A23BC3D_oP112_62_5c9d_a_cd_c:F-Mn-Sb-Xe +mp-1079800,La2Co2Se2O3,-7.3498143433,-2.2475322445,0.1339363455,0.1339363455,GGA+U,I4/mmm,A2B2C3D2_tI18_139_c_e_ad_e:Co-La-O-Se,9.0,A2B2C3D2_tI18_139_c_e_ad_e:Co-La-O-Se +mp-861606,KLaSiSe4,-5.2038260186,-1.5673445911,0.0,-0.1443221308,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:K-La-Se-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_7a_a:K-La-Se-Si, expected KLaSiSe7 to be KLaSiSe4" +mp-3611,Dy2Hf2O7,-9.8112292277,-4.0153407987,0.0006754355,0.0006754355,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Dy-Hf-O,22.0,A2B2C7_cF88_227_c_d_af:Dy-Hf-O +mp-555720,Dy2Hf2(MoO4)7,-8.834996901,-2.5900023773000003,0.0,-0.0091064829,GGA+U,C2/c,A2B2C7D28_mC156_15_f_f_e3f_14f:Dy-Hf-Mo-O,78.0,"Invalid WP multiplicities - A2B2C7D28_mC156_15_f_f_2e10f_52f:Dy-Hf-Mo-O, expected DyHfMo11O52 to be Dy2Hf2(MoO4)7" +mp-1206644,Ba2ScNbO6,-8.472857685,-3.4776720557000003,0.0,-0.0665408734,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Sc,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Sc +mp-558241,TaTl2AgS4,-5.3672620272,-0.8720846029,0.0,-0.019822568,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:Ag-S-Ta-Tl,32.0,"Invalid WP multiplicities - AB4CD2_mP32_14_e_13e_e_5e:Ag-S-Ta-Tl, expected TaTl5AgS13 to be TaTl2AgS4" +mp-1100174,CsMg6Bi,-1.5896569662000002,0.202539509,0.3176851626,0.3176851626,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Cs-Mg,8.0,ABC6_oC16_38_a_a_2bde:Bi-Cs-Mg +mp-1026618,CsMg14Bi,-1.5809622669,0.1152759958,0.1849136314,0.1849136314,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Cs-Mg, expected CsMg18Bi to be CsMg14Bi" +mp-1026567,CsMg14Bi,-1.536754795,0.1594834676,0.2291211033,0.2291211033,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Cs-Mg, expected CsMg26Bi to be CsMg14Bi" +mp-1035331,CsMg14BiO16,-5.8234935294,-2.5020300424,0.3815656425,0.3815656425,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Cs-Mg-O, expected CsMg18BiO20 to be CsMg14BiO16" +mp-1035309,CsMg14BiO16,-5.8574239016,-2.5359604146,0.3476352703,0.3476352703,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Cs-Mg-O, expected CsMg30BiO32 to be CsMg14BiO16" +mp-2222886,CsMgBiO3,-4.881534605,-1.3521616574,0.7928406983,0.7928406983,GGA,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Bi-Cs-Mg-O,6.0,ABCD3_tP6_123_b_c_d_ae:Bi-Cs-Mg-O +mp-2240078,CsMgBiO3,-5.429517195,-1.9001442474,0.2448581083,0.2448581083,GGA,R3m,ABCD3_hR18_160_a_a_a_b:Bi-Cs-Mg-O,6.0,ABCD3_hR18_160_a_a_a_b:Bi-Cs-Mg-O +mp-1033497,CsMg6BiO8,-5.4927866156,-2.1233440224,0.5898070481000001,0.5898070481000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Cs-Mg-O, expected CsMg6BiO12 to be CsMg6BiO8" +mp-1033512,CsMg6BiO8,-5.3550562375,-1.9856136442,0.7275374263000001,0.7275374263000001,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Cs-Mg-O, expected CsMg6BiO12 to be CsMg6BiO8" +mp-1039576,CsMg30BiO32,-6.1078411692,-2.8103672354,0.1584507567,0.1584507567,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Cs-Mg-O, expected CsMg110BiO72 to be CsMg30BiO32" +mp-1038735,CsMg30BiO32,-6.0883751877,-2.7909012539,0.1779167383,0.1779167383,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Cs-Mg-O, expected CsMg90BiO80 to be CsMg30BiO32" +mp-1199237,PrSbMo2O9,-8.1483133171,-2.3697436543,0.0078785653,0.0078785653,GGA+U,C2/c,A2B9CD_mC104_15_2f_9f_2e_f:Mo-O-Pr-Sb,52.0,A2B9CD_mC104_15_2f_9f_2e_f:Mo-O-Pr-Sb +mp-1370720,Zn2SbMoO6,-6.4518160175,-1.7343889338,0.142684665,0.142684665,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Mo-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Mo-O-Sb-Zn, expected Zn2SbMoO16 to be Zn2SbMoO6" +mp-1113669,Rb2NaScF6,-5.686235418,-3.5777417832,0.0,-0.038628618,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sc +mp-1110593,Rb2CrAuF6,-5.188217602,-2.55253046,0.1335178921,0.1335178921,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-Rb +mp-1110644,Rb2NaTaF6,-5.6082454760000005,-2.9472209887,0.203788588,0.203788588,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ta +mp-1207506,Zr6Ga2FeH10,-5.7821002553,-0.5326435455,0.0923657024,0.0923657024,GGA,P-62c,AB2C10D6_hP38_190_b_f_ag2h_gh:Fe-Ga-H-Zr,38.0,AB2C10D6_hP38_190_b_f_ag2h_gh:Fe-Ga-H-Zr +mp-643907,Zr2FeH5,-5.8300012497,-0.5138696628,0.0055569491,0.0055569491,GGA,P4/ncc,AB5C2_tP32_130_c_bg_f:Fe-H-Zr,32.0,AB5C2_tP32_130_c_bg_f:Fe-H-Zr +mp-1112659,Cs2NaBiI6,-2.904834997,-1.3254332702,0.025544727,0.025544727,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Na +mp-1110594,Rb2CoAuF6,-4.5475133670000005,-2.1662991925,0.1678156938,0.1678156938,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Co-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Co-F-Rb +mp-1111326,Na2InAgF6,-4.391428482,-2.4216120695,0.1731680647,0.1731680647,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-Na +mp-1218940,Sr12Tm3Ni5O24,-6.8084190436,-2.6874499486,0.0063250472,0.0063250472,GGA+U,C2,A5B24C12D3_mC88_5_a2c_12c_ab5c_bc:Ni-O-Sr-Tm,44.0,"Invalid WP multiplicities - A5B24C12D3_mC88_5_a4c_23c_ab8c_bc:Ni-O-Sr-Tm, expected Sr18Tm3Ni9O46 to be Sr12Tm3Ni5O24" +mp-1114000,Rb2YTlCl6,-4.452084969,-2.2639447325,0.0395082119,0.0395082119,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Rb-Tl-Y +mp-1205111,RbOs2O9,-7.1502311752,-1.4872755641,0.0,-0.0077139235,GGA,Pna2_1,A9B2C_oP48_33_9a_2a_a:O-Os-Rb,48.0,A9B2C_oP48_33_9a_2a_a:O-Os-Rb +mp-1235495,Rb2Li(OsO3)2,-6.5450806091,-1.4537298692,0.18063691,0.18063691,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Li-O-Os-Rb,11.0,AB6C2D2_hR33_146_a_2b_2a_2a:Li-O-Os-Rb +mp-1235053,Rb2Li(OsO3)2,-6.6704063564,-1.5790556164,0.0553111627,0.0553111627,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Li-O-Os-Rb,11.0,AB6C2D2_hR33_148_a_f_c_c:Li-O-Os-Rb +mp-1235560,Rb2Li(OsO3)2,-6.6568991909,-1.5655484510000002,0.0688183282,0.0688183282,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Li-O-Os-Rb,11.0,AB6C2D2_hR33_148_a_f_c_c:Li-O-Os-Rb +mp-998602,RbOsO3,-7.021161255,-1.6115677277,0.0,-0.0653027365,GGA,R-3,A3BC_hR30_148_f_c_c:O-Os-Rb,10.0,A3BC_hR30_148_f_c_c:O-Os-Rb +mp-1040467,RbOsO3,-6.930602086,-1.5210085588,0.090559169,0.0252564325,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Os-Rb,5.0,A3BC_cP5_221_c_b_a:O-Os-Rb +mp-5050,Rb(OsO3)2,-7.5648721839,-1.6631609394,0.0,-0.1191517944,GGA,Fd-3m,A6B2C_cF72_227_f_c_b:O-Os-Rb,18.0,A6B2C_cF72_227_f_c_b:O-Os-Rb +mp-1214302,Ca3Yb2(GeO4)3,-6.8930623386,-2.7767941236,0.0123346964,0.0123346964,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Yb,,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Yb +mp-1227219,CaYb2(GeO3)4,-6.8679011126,-2.5027857234,0.0115097386,0.0115097386,GGA,Cmme,AB4C12D2_oC76_67_c_o_mn2o_ae:Ca-Ge-O-Yb,,"Invalid WP multiplicities - AB4C12D2_oC76_67_c_o_3m2n9o_ae:Ca-Ge-O-Yb, expected CaYb2(Ge2O23)2 to be CaYb2(GeO3)4" +mp-1519335,BaSmHf4O12,-9.3032438617,-3.4239893211,0.1900993208,0.1900993208,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ba-Hf-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ba-Hf-O-Sm, expected BaSmHf4O18 to be BaSmHf4O12" +mp-1227837,Ca15Ni(IrO6)4,-6.9492339543,-2.6324521209,0.032050666,0.032050666,GGA+U,P2,A15B4CD24_mP44_3_a2b2c2d4e_2e_a_12e:Ca-Ir-Ni-O,44.0,"Invalid WP multiplicities - A15B4CD24_mP44_3_a2b2c2d7e_4e_a_24e:Ca-Ir-Ni-O, expected Ca21Ni(IrO6)8 to be Ca15Ni(IrO6)4" +mp-1227895,Ca15Ni(IrO6)4,-6.9486524689,-2.6318706355,0.0326321515,0.0326321515,GGA+U,C2,A15B4CD24_mC88_5_a2b6c_2c_a_12c:Ca-Ir-Ni-O,44.0,"Invalid WP multiplicities - A15B4CD24_mC88_5_a2b9c_4c_a_23c:Ca-Ir-Ni-O, expected Ca21Ni(Ir4O23)2 to be Ca15Ni(IrO6)4" +mp-1047142,Ca2NiIrO6,-6.926153822,-2.0951635333,0.0,-0.1295499523,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Ir-Ni-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_10e:Ca-Ir-Ni-O, expected Ca2NiIrO20 to be Ca2NiIrO6" +mp-1227125,Ca7Ni(IrO6)2,-6.9310572041,-2.5284904434,0.0411062484,0.0411062484,GGA+U,R32,A7B2CD12_hR66_155_ade_c_b_2f:Ca-Ir-Ni-O,22.0,"Invalid WP multiplicities - A7B2CD12_hR66_155_ade_c_b_3f:Ca-Ir-Ni-O, expected Ca7Ni(IrO9)2 to be Ca7Ni(IrO6)2" +mp-1209376,RbAlCuF6,-5.2959600786,-3.0410500367,0.0,-0.0108446507,GGA,Pnma,ABC6D_oP36_62_a_c_2c2d_c:Al-Cu-F-Rb,36.0,ABC6D_oP36_62_a_c_2c2d_c:Al-Cu-F-Rb +mp-1113818,Rb2AlCuF6,-5.122194937,-2.994722492,0.0766767768,0.0766767768,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-Rb +mp-560790,Cs2NaBiF6,-4.781090887,-2.9388215897,0.0,-0.051864183,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Na,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Na +mp-1191720,TlAgTeO3,-4.9525481437,-1.0894529476,0.0422433415,0.0422433415,GGA,Iba2,AB3CD_oI48_45_c_3c_c_c:Ag-O-Te-Tl,24.0,AB3CD_oI48_45_c_3c_c_c:Ag-O-Te-Tl +mp-569932,Tl7(Ag18Te11)2,-3.1532853092,-0.26615842,0.0004283697,0.0004283697,GGA,Fm-3m,A36B22C7_cF260_225_hk_cfi_ae:Ag-Te-Tl,65.0,"Invalid WP multiplicities - A36B22C7_cF260_225_9h9k_2c4f4i_a2e:Ag-Te-Tl, expected Tl13(Ag27Te7)12 to be Tl7(Ag18Te11)2" +mp-650442,Tl3AgTe2,-3.1029985121,-0.4018156404,0.0,-0.0018100261,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Ag-Te-Tl,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_2e_10e:Ag-Te-Tl, expected Tl10AgTe2 to be Tl3AgTe2" +mp-8925,TlAg3Te2,-2.8998060183,-0.0419855278,0.2492722018,0.2492722018,GGA,Cmmm,A3B2C_oC12_65_ah_g_c:Ag-Te-Tl,6.0,A3B2C_oC12_65_ah_g_c:Ag-Te-Tl +mp-997010,TlAgO2,-4.594620865,-0.8224767219,0.0,-0.0109018999999999,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-O-Tl,8.0,AB2C_hP8_194_c_f_a:Ag-O-Tl +mp-531980,Tl4Ag18Te11,-3.1519267127,-0.2727465469,0.0,-0.0041537402,GGA,I4mm,A18B11C4_tI132_107_2c3d2e_b2c3d_4ac:Ag-Te-Tl,66.0,"Invalid WP multiplicities - A18B11C4_tI132_107_6c12d10e_2b6c11d_4a2c:Ag-Te-Tl, expected Tl3(Ag19Te9)2 to be Tl4Ag18Te11" +mp-10006,TlAgTe2,-3.1378211,-0.2673683658,0.0989842867,0.0989842867,GGA,I-4m2,AB2C_tI8_119_c_e_a:Ag-Te-Tl,4.0,AB2C_tI8_119_c_e_a:Ag-Te-Tl +mp-5874,TlAgTe,-3.1386337475,-0.3591320664,0.0,-0.0141068271,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Te-Tl,12.0,ABC_oP12_62_c_c_c:Ag-Te-Tl +mp-685196,Tl2Ag16Te11,-3.1266309995,-0.2086121314,0.0488650048,0.0488650048,GGA,P1,A16B11C2_aP58_1_32a_22a_4a:Ag-Te-Tl,58.0,A16B11C2_aP58_1_32a_22a_4a:Ag-Te-Tl +mp-1326744,Tl2Ag16Te11,-2.5218600257,0.3961588424,0.6536359786,0.6536359786,GGA,P1,A16B11C2_aP58_1_32a_22a_4a:Ag-Te-Tl,58.0,A16B11C2_aP58_1_32a_22a_4a:Ag-Te-Tl +mp-1110621,Na2AlTlF6,-5.018517843,-2.9963035061000003,0.1915685627,0.1915685627,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-Na-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-Na-Tl +mp-1188975,La(Fe2B)6,-7.9931415168,-0.2745829774,0.0167266018,0.0167266018,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Fe-La,19.0,A6B12C_hR57_166_h_fh_b:B-Fe-La +mp-2967,La(CoB)2,-6.981917822,-0.4796325747,0.0,-0.0753803027,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-La,5.0,A2B2C_tI10_139_e_d_a:B-Co-La +mp-1189727,La(CoB)4,-7.1214030906,-0.4450869385,7.67828e-05,7.67828e-05,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Co-La,18.0,A4B4C_tP18_86_g_g_a:B-Co-La +mp-1106274,La(Co2B)6,-7.2063503695,-0.3478150395,0.0,-0.0523170077,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-La,19.0,A6B12C_hR57_166_h_fh_b:B-Co-La +mp-1095566,LaCo4B,-6.8828210333,-0.2080426907,0.019673982,0.019673982,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-La,12.0,AB4C_hP12_191_c_di_ab:B-Co-La +mp-1104122,La4(CoB2)3,-6.5294251315,-0.2874764831,0.1521638877,0.1521638877,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-La,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-La +mp-1198085,La2Fe14B,-7.9831811194,-0.0342574182,0.0200061309,0.0200061309,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-La,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-La +mp-1197631,La2Co14B,-6.9331588957,-0.1056380069,0.0,-0.0010130144,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-La,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-La +mp-1222963,LaFe6(CoB)6,-7.5693711305,-0.2808241958,0.0536716678,0.0536716678,GGA,R-3m,A6B6C6D_hR57_166_h_h_f_b:B-Co-Fe-La,19.0,A6B6C6D_hR57_166_h_h_f_b:B-Co-Fe-La +mp-1215591,YbAg(MoO4)2,-7.4964035025,-2.0266556531,0.0722292043,0.0722292043,GGA+U,I-4,AB2C8D_tI24_82_a_bc_2g_d:Ag-Mo-O-Yb,,AB2C8D_tI24_82_a_bc_2g_d:Ag-Mo-O-Yb +mp-1097131,NaCd2Rh,-1.36027115,1.2728820209,1.332521975,1.3251568581,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Na-Rh,4.0,A2BC_oI8_71_e_a_b:Cd-Na-Rh +mp-1186122,NaCd2Rh,-2.692793125,-0.0596399541,0.0,-0.0073651169,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Na-Rh,4.0,A2BC_cF16_225_c_a_b:Cd-Na-Rh +mp-542675,Na(RhO2)2,-6.5093744496,-1.3896750384,0.0,-0.0299826646,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Na-O-Rh,28.0,AB4C2_oP28_62_c_4c_2c:Na-O-Rh +mp-1016875,CdRhO3,-5.479369706,-0.8539169532,0.424103885,0.424103885,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Rh,5.0,AB3C_cP5_221_a_c_b:Cd-O-Rh +mp-1221278,Na3Cd(RhO2)8,-6.4337788036,-1.32835209,0.0174018751,0.0174018751,GGA,Pm,AB3C16D8_mP28_6_a_a2b_8a8b_4a4b:Cd-Na-O-Rh,28.0,AB3C16D8_mP28_6_a_a2b_8a8b_4a4b:Cd-Na-O-Rh +mp-1221126,NaCd(RhO2)4,-6.3585138564,-1.2673598405,0.0344730512,0.0344730512,GGA,P2_1/m,ABC8D4_mP28_11_e_e_8e_4e:Cd-Na-O-Rh,28.0,"Invalid WP multiplicities - ABC8D4_mP28_11_e_e_16e_8e:Cd-Na-O-Rh, expected NaCd(RhO2)8 to be NaCd(RhO2)4" +mp-8830,NaRhO2,-6.1096621075,-1.464609461,0.0,-0.1140046592,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Rh,4.0,AB2C_hR12_166_a_c_b:Na-O-Rh +mp-14100,Cd(RhO2)2,-6.2765993657,-1.213990745,0.0,-0.0397323768,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-O-Rh,14.0,AB4C2_cF56_227_a_e_d:Cd-O-Rh +mp-1221110,NaCd3(RhO2)8,-6.2828289375,-1.2059476192,0.0519641992,0.0519641992,GGA,Pm,A3BC16D8_mP28_6_a2b_a_8a8b_4a4b:Cd-Na-O-Rh,28.0,A3BC16D8_mP28_6_a2b_a_8a8b_4a4b:Cd-Na-O-Rh +mp-1217359,ThU(CuSi)4,-6.061506284,-0.381169578,0.010981762,0.010981762,GGA,P4/mmm,A4B4CD_tP10_123_i_gh_a_d:Cu-Si-Th-U,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_i_2gh_c_b:Cu-Si-Th-U, expected ThU(Cu2Si3)2 to be ThU(CuSi)4" +mp-5948,Th(CuSi)2,-5.842254416,-0.5496728860000001,0.0,-0.1319563424,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Si-Th,5.0,A2B2C_tI10_139_d_e_a:Cu-Si-Th +mp-1217294,Th2CuSi3,-6.5256842850000005,-0.6585380750000001,0.0,-0.06687703,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Cu-Si-Th,6.0,AB3C2_hP6_187_a_bcd_i:Cu-Si-Th +mp-1195725,CsGa2(Se2O7)2,-5.5221604088,-1.2274517286,0.2162923542,0.2162923542,GGA,C2/c,AB2C14D4_mC84_15_e_f_7f_2f:Cs-Ga-O-Se,42.0,AB2C14D4_mC84_15_e_f_7f_2f:Cs-Ga-O-Se +mp-1200987,CsGa(SeO3)2,-5.758786952,-1.6992415903,0.0,-0.0421047289,GGA,C2/m,ABC6D2_mC80_12_adi_2i_4i4j_4i:Cs-Ga-O-Se,40.0,ABC6D2_mC80_12_adi_2i_4i4j_4i:Cs-Ga-O-Se +mp-2241366,MgSc2Nb2O8,-8.8596493823,-3.1641618415,0.1990829245,0.1990829245,GGA,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Sc,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Sc +mp-2226714,MgSc2Nb2O8,-8.8471612515,-3.1516737108,0.2115710553,0.2115710553,GGA,P2,AB2C8D2_mP13_3_a_ab_4e_cd:Mg-Nb-O-Sc,13.0,"Invalid WP multiplicities - AB2C8D2_mP13_3_a_ad_7e_bc:Mg-Nb-O-Sc, expected MgSc2Nb2O14 to be MgSc2Nb2O8" +mp-2226497,MgSc2Nb2O8,-8.8142368046,-3.1187492638,0.2444955022,0.2444955022,GGA,P2,AB2C8D2_mP13_3_a_cd_4e_ab:Mg-Nb-O-Sc,13.0,"Invalid WP multiplicities - AB2C8D2_mP13_3_a_bc_7e_ad:Mg-Nb-O-Sc, expected MgSc2Nb2O14 to be MgSc2Nb2O8" +mp-1218568,Sr4Co(IrO4)3,-7.0467931185,-2.0597001843,0.0,-0.0265814589,GGA+U,P-1,AB3C12D4_aP20_2_a_beh_6i_2i:Co-Ir-O-Sr,20.0,"Invalid WP multiplicities - AB3C12D4_aP20_2_a_beh_12i_4i:Co-Ir-O-Sr, expected Sr8Co(IrO8)3 to be Sr4Co(IrO4)3" +mp-582883,Pr21Fe8Bi7C12,-6.8795942098000005,-0.5090400357,0.0,-0.1406819261,GGA,Fm-3m,A7B12C8D21_cF192_225_ae_g_f_bfh:Bi-C-Fe-Pr,48.0,"Invalid WP multiplicities - A7B12C8D21_cF192_225_a2e_g_f_b5f6h:Bi-C-Fe-Pr, expected Pr113Fe8Bi13C12 to be Pr21Fe8Bi7C12" +mp-1197734,Pr6Fe13Bi,-7.2162521137,-0.0844421442,0.0217776474,0.0217776474,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Pr,40.0,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Pr +mp-561079,CdBiS2Br,-3.812528414,-0.8946670232,0.0177068485,0.0177068485,GGA,C2/m,ABCD2_mC20_12_i_i_ac_2i:Bi-Br-Cd-S,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_i_ad_4i:Bi-Br-Cd-S, expected CdBiS4Br to be CdBiS2Br" +mp-2219283,Tb2MgCr2O8,-8.2096100777,-2.8443318562,0.1503130316,0.1503130316,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Tb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Cr-Mg-O-Tb, expected Tb2MgCr2O16 to be Tb2MgCr2O8" +mp-2242039,Tb2MgCr2O8,-8.2123687869,-2.8470905654000003,0.1475543224,0.1475543224,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Tb,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Tb +mp-1111900,Li2CrCuF6,-5.375418185,-2.4715208172,0.3087765675,0.3087765675,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Cu-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Cu-F-Li +mp-622214,Cs2Co2(MoO4)3,-7.5876714649,-1.908479086,0.0359408872,0.0359408872,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:Co-Cs-Mo-O,76.0,"Invalid WP multiplicities - A2B2C3D12_cP76_198_3a_5a_b_42b:Co-Cs-Mo-O, expected Cs5Co3(MoO42)3 to be Cs2Co2(MoO4)3" +mp-1206800,ErCuSn,-4.8164694983,-0.5909703867,0.0,-0.0862465549,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-Er-Sn,6.0,ABC_hP6_186_b_a_b:Cu-Er-Sn +mp-1018685,ErCuSn,-4.7655980583,-0.5400989467,0.05087144,-0.0353751149,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Er-Sn,6.0,ABC_hP6_194_c_a_d:Cu-Er-Sn +mp-1191604,Er3CuSnS7,-5.9152830304,-1.6846926952,0.0277343573,0.0277343573,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Er-S-Sn,24.0,AB3C7D_hP24_173_a_c_b2c_b:Cu-Er-S-Sn +mp-1103053,Er3(CuSn)4,-4.6807940055,-0.4864057755,0.0013538695,0.0013538695,GGA,C2/m,A4B3C4_mC22_12_2i_ai_2i:Cu-Er-Sn,11.0,A4B3C4_mC22_12_2i_ai_2i:Cu-Er-Sn +mp-1095537,Er3(CuSn)4,-4.6810680509,-0.4866798209,0.0010798241,0.0010798241,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Cu-Er-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Cu-Er-Sn +mp-1213224,ErCu5Sn,-4.4053457564,-0.2520137543,0.0012592686,0.0012592686,GGA,Pnma,A5BC_oP28_62_3cd_c_c:Cu-Er-Sn,28.0,A5BC_oP28_62_3cd_c_c:Cu-Er-Sn +mp-866605,Ce3SiAgS7,-6.34063535,-1.7562778028,0.0,-0.0176763286,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Ag-Ce-S-Si,24.0,AB3C7D_hP24_173_a_c_b2c_b:Ag-Ce-S-Si +mp-1247184,Mg2TiMo3S8,-6.5488433164,-1.0685146463,0.3001677211,0.3001677211,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-Ti,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-Ti, expected Mg2TiMo3S16 to be Mg2TiMo3S8" +mp-1217266,Ti(MoS2)2,-7.75521719,-1.1648469465,0.0989635564,0.0989635564,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Mo-S-Ti,7.0,A2B4C_mC14_8_2a_4a_a:Mo-S-Ti +mp-1025173,Ti(MoS2)2,-7.7594693929,-1.1690991494,0.0947113536,0.0947113536,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Mo-S-Ti,7.0,A2B4C_mC14_12_i_2i_a:Mo-S-Ti +mp-1021356,Mg6TiMo,-3.3616533112,0.1811994921,0.2211281107,0.2211281107,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Ti, expected Mg12TiMo to be Mg6TiMo" +mp-1021381,Mg6TiMo,-3.2880956538,0.2547571496,0.2946857682,0.2946857682,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Ti, expected Mg12TiMo to be Mg6TiMo" +mp-1026389,Mg14TiMo,-2.4482536838,0.1233127429,0.1535349199,0.1535349199,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Ti, expected Mg18TiMo to be Mg14TiMo" +mp-1026435,Mg14TiMo,-2.4084375894,0.1631288373,0.1933510143,0.1933510143,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Ti, expected Mg26TiMo to be Mg14TiMo" +mp-1216784,TiMoS3,-7.598895304,-1.3687969585,0.040071096,0.040071096,GGA,P2_1/m,AB3C_mP10_11_e_3e_e:Mo-S-Ti,10.0,AB3C_mP10_11_e_3e_e:Mo-S-Ti +mp-1247187,MgTiMoS4,-6.5267396414,-1.2571365494,0.2284987129,0.2284987129,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mo-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mo-S-Ti, expected MgTiMoS12 to be MgTiMoS4" +mp-1247559,Mg2Ti3MoS8,-6.4894559379,-1.4305784239,0.1614696475,0.1614696475,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mo-S-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mo-S-Ti, expected Mg2Ti3MoS22 to be Mg2Ti3MoS8" +mp-1112594,Cs2RhAuF6,-4.4797401820000005,-2.0899533401,0.160321889,0.160321889,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Rh,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Rh +mp-675242,Ag2HgI4,-2.0645813171,-0.369973064,0.1749019529,0.1706731629,GGA,Cm,A2BC4_mC42_8_6a_3a_12a:Ag-Hg-I,21.0,A2BC4_mC42_8_6a_3a_12a:Ag-Hg-I +mp-570256,Ag2HgI4,-2.2380909529,-0.5434826998,0.0013923171,-0.0028364728,GGA,P-42m,A2BC4_tP7_111_e_b_n:Ag-Hg-I,7.0,A2BC4_tP7_111_e_b_n:Ag-Hg-I +mp-1229122,Ag2HgI4,-2.23948327,-0.5448750169000001,0.0,-0.0042287899,GGA,I-42m,A2BC4_tI14_121_d_a_i:Ag-Hg-I,7.0,A2BC4_tI14_121_d_a_i:Ag-Hg-I +mp-37163,Ag2HgI4,-2.1146974514,-0.4200891983,0.1247858186,0.1205570287,GGA,R3m,A2BC4_hR21_160_2a_a_4a:Ag-Hg-I,7.0,A2BC4_hR21_160_2a_a_4a:Ag-Hg-I +mp-23592,Ag2Hg7(As2I3)2,-2.1617922891,-0.3056056427,0.0,-0.0025238199,GGA,Pa-3,A2B4C7D6_cP76_205_c_2c_ad_d:Ag-As-Hg-I,76.0,A2B4C7D6_cP76_205_c_2c_ad_d:Ag-As-Hg-I +mp-1112481,K2LaAgCl6,-4.256221394,-2.1481632978,0.0790975023,0.0790975023,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-La,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-La +mp-1111787,Rb2TlAuI6,-2.615669374,-0.9718902348,0.0720422443,0.0720422443,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Tl +mp-1112495,Cs2TlCrF6,-5.423351203,-2.8958142864000003,0.0,-0.0748797936,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-Tl +mp-1246715,Ba2ReN3,-7.6705373333,-0.7885436933000001,0.0,-0.0395244721,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ba-N-Re,24.0,"Invalid WP multiplicities - A2B3C_oC48_64_2f_2e2f_f:Ba-N-Re, expected Ba2ReN4 to be Ba2ReN3" +mp-1029619,Ba(ReN2)2,-9.0424718367,-0.4490419781,0.0890190388,0.0890190388,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Re,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Re +mp-10555,Ba2LiReN4,-7.4068728219,-0.9647003679,0.0,-0.177025119,GGA,P2_1/m,A2BC4D_mP16_11_2e_e_2ef_e:Ba-Li-N-Re,16.0,A2BC4D_mP16_11_2e_e_2ef_e:Ba-Li-N-Re +mp-1245965,Ba3ReN3,-6.9573252871,-0.7843343186,0.0,-0.1068383495,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Re,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Re +mp-989637,BaReN3,-8.574175465,-0.6995780850000001,0.0,-0.140847159,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Ba-N-Re,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_8f_f:Ba-N-Re, expected Ba2ReN8 to be BaReN3" +mp-1207411,Zr6Ga2NiH10,-5.6720651734,-0.5641813337,0.0884158188,0.0884158188,GGA,P-62c,A2B10CD6_hP38_190_f_ag2h_b_gh:Ga-H-Ni-Zr,38.0,A2B10CD6_hP38_190_f_ag2h_b_gh:Ga-H-Ni-Zr +mp-1200150,ZrGa2Ni,-5.6843048757,-0.588297537,0.0,-0.0239578611,GGA,I4mm,A2BC_tI80_107_c2de_bcd_2acd:Ga-Ni-Zr,40.0,A2BC_tI80_107_c2de_bcd_2acd:Ga-Ni-Zr +mp-1215689,Zr2Ga3Ni,-5.9193726567,-0.5927349888,0.0212655966,0.0212655966,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Zr,6.0,A3BC2_mC12_8_3a_a_2a:Ga-Ni-Zr +mp-1078832,ZrGaNi,-6.4322034878,-0.6468923769,0.0,-0.0848487861,GGA,P-62m,ABC_hP9_189_f_bc_g:Ga-Ni-Zr,9.0,ABC_hP9_189_f_bc_g:Ga-Ni-Zr +mp-22580,ZrGaNi2,-6.31387771,-0.5298602069,0.0166428195,0.0166428195,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Ni-Zr,4.0,AB2C_cF16_225_a_c_b:Ga-Ni-Zr +mp-1080051,Zr6Ga2Ni,-7.4245358011,-0.4109210783,0.0066635339,0.0066635339,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Ga-Ni-Zr,9.0,A2BC6_hP9_189_c_b_fg:Ga-Ni-Zr +mp-1218081,SrSm2BeO5,-7.8966767417,-3.4967298367,0.0277130066,0.0277130066,GGA,Pna2_1,AB5C2D_oP36_33_a_5a_2a_a:Be-O-Sm-Sr,36.0,"Invalid WP multiplicities - AB5C2D_oP36_33_a_10a_2a_a:Be-O-Sm-Sr, expected SrSm2BeO10 to be SrSm2BeO5" +mp-1208778,Sr2SmBeO5,-7.2088156947,-3.1454346433,0.0157188329,0.0157188329,GGA,Pnma,AB5CD2_oP36_62_c_3cd_c_d:Be-O-Sm-Sr,36.0,AB5CD2_oP36_62_c_3cd_c_d:Be-O-Sm-Sr +mp-1216356,Y4ZrNi25,-6.2758084493,-0.3119083799,0.0071550493,0.0071550493,GGA,Cmmm,A25B4C_oC60_65_ae2g5h2p_2h_c:Ni-Y-Zr,30.0,"Invalid WP multiplicities - A25B4C_oC60_65_a2e3g9h7p_3h_c:Ni-Y-Zr, expected Y6ZrNi57 to be Y4ZrNi25" +mp-1104069,Y(Ni2As)2,-6.1871478836,-0.6292543631,0.0,-0.0359344556,GGA,P4_2/mnm,A2B4C_tP14_136_f_i_a:As-Ni-Y,14.0,A2B4C_tP14_136_f_i_a:As-Ni-Y +mp-1203300,Y5Zr3(Ni4As3)4,-6.5650414675,-0.8326229898,0.0,-0.045573419,GGA,P-62m,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Y-Zr,36.0,A12B16C5D3_hP36_189_2fk_agjk_cg_f:As-Ni-Y-Zr +mp-1216007,YZr2Ni15,-6.4055879961,-0.2798145198,0.0400749789,0.0400749789,GGA,P3m1,A15BC2_hP18_156_2a2b2c3d_a_bc:Ni-Y-Zr,18.0,"Invalid WP multiplicities - A15BC2_hP18_156_2a2b2c9d_a_bc:Ni-Y-Zr, expected YZr2Ni33 to be YZr2Ni15" +mp-1206718,YNiAs,-6.69264255,-1.0574004839,0.0,-0.0205663872,GGA,P-6m2,ABC_hP3_187_a_c_f:As-Ni-Y,3.0,ABC_hP3_187_a_c_f:As-Ni-Y +mp-1191314,Y2Ni12As7,-6.0075239824,-0.5356948766,0.0,-0.0131076907,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Y,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-Y +mp-1111195,K2TlSbBr6,-3.255460876,-1.4523996499,0.0430516888,0.0430516888,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Sb-Tl +mp-546862,HgPb2(ClO)2,-4.4031010229,-1.3574688446,0.0,-0.0393411136,GGA,C2/m,A2BC2D2_mC14_12_i_a_i_i:Cl-Hg-O-Pb,7.0,A2BC2D2_mC14_12_i_a_i_i:Cl-Hg-O-Pb +mp-1218318,SrEu2BeO5,-8.729165975,-3.0984600334,0.0495687152,0.0495687152,GGA,Pna2_1,AB2C5D_oP36_33_a_2a_5a_a:Be-Eu-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_33_a_2a_10a_a:Be-Eu-O-Sr, expected SrEu2BeO10 to be SrEu2BeO5" +mp-1209112,Sr2EuBeO5,-7.6341254917,-2.9553649219,0.017581507,0.017581507,GGA,Pnma,ABC5D2_oP36_62_c_c_3cd_d:Be-Eu-O-Sr,36.0,ABC5D2_oP36_62_c_c_3cd_d:Be-Eu-O-Sr +mp-863761,K2BaCdSb2,-2.9118234283,-0.6917125827,0.0,-0.0148671812,GGA,Pmc2_1,ABC2D2_oP12_26_a_b_ab_ab:Ba-Cd-K-Sb,12.0,"Invalid WP multiplicities - ABC2D2_oP12_26_a_b_2a2b_2a2b:Ba-Cd-K-Sb, expected K4BaCdSb4 to be K2BaCdSb2" +mp-1205075,KBa2Cd2Sb3,-3.1724927031,-0.7748511948,0.0,-0.0285878436,GGA,Pnma,A2B2CD3_oP32_62_2c_2c_c_3c:Ba-Cd-K-Sb,32.0,A2B2CD3_oP32_62_2c_2c_c_3c:Ba-Cd-K-Sb +mp-1211281,La3HfGa5O14,-7.8194328696,-3.0733749385,0.0,-0.0003975601,GGA,P321,A5BC3D14_hP23_150_df_a_e_d2g:Ga-Hf-La-O,23.0,A5BC3D14_hP23_150_df_a_e_d2g:Ga-Hf-La-O +mp-1112957,Cs2HgSbF6,-4.286831853,-2.5175958376,0.1054152976,0.1054152976,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Sb +mp-616507,Cs2Na2IrO4,-5.1883342706,-1.5148848977,0.0,-0.0013569139,GGA,C2/m,A2BC2D4_mC36_12_2i_ad_2i_2ij:Cs-Ir-Na-O,18.0,"Invalid WP multiplicities - A2BC2D4_mC36_12_2i_ac_4i_4i3j:Cs-Ir-Na-O, expected Cs2Na4IrO10 to be Cs2Na2IrO4" +mp-1191326,InTeBrO3,-5.3190483633,-1.6043676822,0.0182589629,0.0182589629,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Br-In-O-Te,24.0,ABC3D_mP24_14_e_e_3e_e:Br-In-O-Te +mp-1097442,Li2AgAs,-2.03321157,0.7941684654000001,1.2716832622,1.2716832622,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-As-Li,4.0,ABC2_oI8_71_a_b_e:Ag-As-Li +mp-1111365,Li2AgAsF6,-4.380698585,-2.1028591903,0.420782302,0.420782302,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-Li +mp-1111616,K2NaTlCl6,-3.465850725,-1.7661320956000002,0.036829457,0.036829457,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Tl +mp-1226884,Cd3Si2Pb3O10,-6.1064143361,-1.9828513549,0.0881088432,0.0881088432,GGA,P3m1,A3B10C3D2_hP18_156_d_ab2c2d_d_ab:Cd-O-Pb-Si,18.0,A3B10C3D2_hP18_156_d_ab2c2d_d_ab:Cd-O-Pb-Si +mp-1203562,La4Fe(SbS5)2,-6.2689404959,-1.6903198618,0.0440612176,0.0440612176,GGA,Pbcm,AB4C10D2_oP68_57_c_2c2d_2d4e_2d:Fe-La-S-Sb,68.0,AB4C10D2_oP68_57_c_2c2d_2d4e_2d:Fe-La-S-Sb +mp-1228074,Ba3Mn2IrO9,-7.4823660333,-2.3197268343,0.0102873479,0.0102873479,GGA+U,R-3m,A3BC2D9_hR45_166_bc_a_c_dh:Ba-Ir-Mn-O,15.0,A3BC2D9_hR45_166_bc_a_c_dh:Ba-Ir-Mn-O +mp-1190757,Tb3GaFeS7,-6.2900415083,-1.7603444583,0.0518127618,0.0518127618,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Fe-Ga-S-Tb,24.0,ABC7D3_hP24_173_a_b_b2c_c:Fe-Ga-S-Tb +mp-1101401,RbPrO2,-6.78570954,-2.8720052275,0.0,-0.1119955339,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Pr-Rb,4.0,A2BC_hR12_166_c_a_b:O-Pr-Rb +mp-755057,Rb2PrO3,-5.77904657,-2.1820398977,0.1438401567,0.1438401567,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:O-Pr-Rb,12.0,"Invalid WP multiplicities - A3BC2_oC24_36_a2b_a_b:O-Pr-Rb, expected Rb2PrO5 to be Rb2PrO3" +mp-752428,Rb2PrO3,-5.78036115,-2.1833544777,0.1425255767,0.1425255767,GGA,Pnma,A3BC2_oP24_62_cd_c_d:O-Pr-Rb,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_2c3d_c_d:O-Pr-Rb, expected Rb2PrO8 to be Rb2PrO3" +mp-770322,Rb2PrO3,-5.8324145442,-2.2354078719,0.0904721825,0.0904721825,GGA,Fddd,A3BC2_oF96_70_fh_e_2e:O-Pr-Rb,24.0,"Invalid WP multiplicities - A3BC2_oF96_70_3f2h_e_3e:O-Pr-Rb, expected Rb3PrO7 to be Rb2PrO3" +mp-559424,RbPr(MoO4)2,-8.1090761775,-2.523555366,0.0,-0.0184090706,GGA+U,P4/nnc,A2B8CD_tP24_126_d_k_a_b:Mo-O-Pr-Rb,24.0,A2B8CD_tP24_126_d_k_a_b:Mo-O-Pr-Rb +mp-16453,BaCe2ZnS5,-6.0157681517,-2.0460852412,0.0032036643,0.0032036643,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-Ce-S-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-Ce-S-Zn +mp-1105173,Li2FeSnS4,-5.1054342438,-1.0000294605,0.0568418319,0.0568418319,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Fe-Li-S-Sn,16.0,AB2C4D_mP16_7_a_2a_4a_a:Fe-Li-S-Sn +mp-774883,LiFe3(SnS4)2,-5.6185730164,-0.7307352206000001,0.1365222513,0.1365222513,GGA,Imm2,A3BC8D2_oI28_44_ac_b_2c2d_d:Fe-Li-S-Sn,14.0,"Invalid WP multiplicities - A3BC8D2_oI28_44_a2c_b_3c3d_d:Fe-Li-S-Sn, expected LiFe5(SnS6)2 to be LiFe3(SnS4)2" +mp-675496,Fe2SnS4,-5.9161448657,-0.5596571882,0.2172748161,0.2172748161,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Fe-S-Sn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_2h2i_c:Fe-S-Sn, expected Fe2SnS8 to be Fe2SnS4" +mp-754767,Fe3(SnS4)2,-5.74762272,-0.6306376219000001,0.1685712123,0.1685712123,GGA,Imm2,A3B8C2_oI26_44_ac_2c2d_d:Fe-S-Sn,13.0,"Invalid WP multiplicities - A3B8C2_oI26_44_a2c_3c3d_d:Fe-S-Sn, expected Fe5(SnS6)2 to be Fe3(SnS4)2" +mp-1329623,Zn3Ge3(MoO6)2,-6.7857648325,-1.850770875,0.1087666881,0.1087666881,GGA+U,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mo-O-Zn,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mo-O-Zn +mp-569387,Cs2Lu7CCl18,-5.2067377768,-2.4946026426,0.0,-0.0129783299,GGA,R-3,AB18C2D7_hR84_148_a_3f_c_bf:C-Cl-Cs-Lu,28.0,"Invalid WP multiplicities - AB18C2D7_hR84_148_a_11f_c_b2f:C-Cl-Cs-Lu, expected Cs2Lu13CCl66 to be Cs2Lu7CCl18" +mp-573376,Lu2CCl2,-6.211872266,-1.8183442955,0.0,-0.2256908833,GGA,R-3m,AB2C2_hR15_166_a_c_c:C-Cl-Lu,5.0,AB2C2_hR15_166_a_c_c:C-Cl-Lu +mp-1189765,Zr5In3Cu,-6.3542192572000005,-0.2328013672,0.0361280589,0.0361280589,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-In-Zr,18.0,AB3C5_hP18_193_b_g_dg:Cu-In-Zr +mp-1215325,ZrInCuS4,-5.7302991507000005,-1.1668147939,0.0427894829,0.0427894829,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Cu-In-S-Zr,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Cu-In-S-Zr, expected ZrInCuS8 to be ZrInCuS4" +mp-623134,ZrInCu2,-5.09562863,-0.221179205,0.0,-0.0257577222,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Zr,4.0,A2BC_cF16_225_c_a_b:Cu-In-Zr +mp-652366,MoPb5O8,-6.5920727109,-1.6647587716,0.0118560228,0.0118560228,GGA+U,P2_1/c,AB8C5_mP112_14_2e_16e_10e:Mo-O-Pb,112.0,"Invalid WP multiplicities - AB8C5_mP112_14_6e_63e_37e:Mo-O-Pb, expected Mo6Pb37O63 to be MoPb5O8" +mp-21138,MoPb2O5,-7.2073398944,-1.8317914186,0.0,-0.0158778957,GGA+U,C2/m,AB5C2_mC32_12_i_g2ij_2i:Mo-O-Pb,16.0,"Invalid WP multiplicities - AB5C2_mC32_12_i_g2i2j_2i:Mo-O-Pb, expected MoPb2O7 to be MoPb2O5" +mp-1186106,MoPbO3,-7.563607448,-1.6839347852,0.1173922968,0.1173922968,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mo-O-Pb,5.0,AB3C_cP5_221_b_c_a:Mo-O-Pb +mp-1211099,MoPbO2,-7.1219985062,-1.0090798556,0.5077226825,0.5077226825,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Mo-O-Pb,16.0,AB2C_tI32_141_c_h_d:Mo-O-Pb +mp-22169,MoPbO4,-7.6554891583,-1.9313138208,0.0,-0.0682774845,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Mo-O-Pb,12.0,AB4C_tI24_88_a_f_b:Mo-O-Pb +mp-1204412,Mo2PbSe2O11,-7.0819943537,-1.6564102244,0.0,-0.0030239051,GGA+U,P-1,A2B11CD2_aP32_2_2i_11i_i_2i:Mo-O-Pb-Se,32.0,A2B11CD2_aP32_2_2i_11i_i_2i:Mo-O-Pb-Se +mp-1196979,MoPbSeO6,-7.0023824486,-1.6985667903,0.0,-0.015555354,GGA+U,P-1,AB6CD_aP36_2_2i_12i_2i_2i:Mo-O-Pb-Se,36.0,AB6CD_aP36_2_2i_12i_2i_2i:Mo-O-Pb-Se +mp-21759,Mo5PbO8,-8.4744221809,-1.509107373,0.224381242,0.224381242,GGA+U,P2_1/c,A5B8C_mP56_14_5e_8e_e:Mo-O-Pb,56.0,A5B8C_mP56_14_5e_8e_e:Mo-O-Pb +mp-1024056,Fe2SiS4,-6.1405900225,-0.5818528914000001,0.2846579954,0.2846579954,GGA,P2/m,A2B4C_mP28_10_abcho_2m2n2o_mn:Fe-S-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_10_bcde2o_4m4n3o_m2n:Fe-S-Si, expected Fe6Si3S14 to be Fe2SiS4" +mp-627591,Fe2SiS4,-6.1748760446,-0.6161389136000001,0.2503719732,0.2503719732,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Fe-S-Si,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_8c5d_c:Fe-S-Si, expected Fe4SiS18 to be Fe2SiS4" +mp-1024054,Fe2SiS4,-6.2163083443,-0.6575712132,0.2089396736,0.2089396736,GGA,P-3m1,A2B4C_hP14_164_af_di_d:Fe-S-Si,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_a2f_2d3i_d:Fe-S-Si, expected Fe7(SiS11)2 to be Fe2SiS4" +mp-1096954,Fe2SiS4,-6.1471884571,-0.5884513261000001,0.2780595607,0.2780595607,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Fe-S-Si,14.0,A2B4C_cF56_227_c_e_b:Fe-S-Si +mp-1188558,FeCu2SiS4,-5.4953921181,-0.6654481122,0.0493363313,0.0493363313,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Fe-S-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Fe-S-Si +mp-1217256,Ti2CrIn3O6,-6.9412076475,-1.6596064008,0.7235728497,0.7235728497,GGA+U,C2/m,AB3C6D2_mC24_12_a_dh_ij_g:Cr-In-O-Ti,12.0,"Invalid WP multiplicities - AB3C6D2_mC24_12_a_ch_2i2j_g:Cr-In-O-Ti, expected Ti2CrIn3O12 to be Ti2CrIn3O6" +mp-1218323,SrCeAlO4,-7.93146926,-3.4807673624,0.0444586186,0.0444586186,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-Ce-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-Ce-O-Sr +mp-1111300,Na2RhAuF6,-4.371245622,-1.8960341958,0.2199308865,0.2199308865,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Na-Rh +mp-1112443,K2TmAgCl6,-4.210354111,-2.1483131829,0.0262204577,0.0262204577,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tm,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Tm +mp-1113710,Rb2LiIrF6,-4.978902514,-2.5611726143,0.0342085383,0.0342085383,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ir-Li-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ir-Li-Rb +mp-1205541,NaScTl2F6,-5.539351746,-3.1544362963,0.0,-0.027132085,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Sc-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Sc-Tl +mp-1093555,NaScTl2,-1.7004127800000002,1.3946573929,1.5285036525,1.5285036525,GGA,Immm,ABC2_oI8_71_a_b_e:Na-Sc-Tl,4.0,ABC2_oI8_71_a_b_e:Na-Sc-Tl +mp-613927,KCeCuTe4,-4.4591087314,-1.0711203964,0.1620395414,0.1620395414,GGA,P4/nmm,ABCD4_tP14_129_c_a_c_2cf:Ce-Cu-K-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_c_a_c_3c3f:Ce-Cu-K-Te, expected KCeCuTe9 to be KCeCuTe4" +mp-1111208,Na2HgAsF6,-4.074077612,-2.1664052958,0.2898282646,0.2898282646,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-Na +mp-558993,Na2GaNiF7,-5.0909859214,-2.833382643,0.0,-0.0082811395,GGA+U,Imma,A7BC2D_oI44_74_ehj_a_bc_d:F-Ga-Na-Ni,22.0,"Invalid WP multiplicities - A7BC2D_oI44_74_2e4h4j_a_2b2c_d:F-Ga-Na-Ni, expected Na4GaNiF26 to be Na2GaNiF7" +mp-1111041,Rb2HgSbI6,-2.547117181,-1.023722396,0.0455412015,0.0455412015,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Sb +mp-28889,Hg5(SbI3)2,-1.8945191529,-0.462472814,0.0,-0.0027468346,GGA,Pna2_1,A5B6C2_oP52_33_5a_6a_2a:Hg-I-Sb,52.0,A5B6C2_oP52_33_5a_6a_2a:Hg-I-Sb +mp-29043,Hg4Sb2I3,-1.9133526001,-0.3697056013,0.0,-0.0356974578,GGA,Pa-3,A4B3C2_cP72_205_cd_d_2c:Hg-I-Sb,72.0,A4B3C2_cP72_205_cd_d_2c:Hg-I-Sb +mp-1087485,YInPd,-5.6217323956000005,-0.8223868444,0.0,-0.0660010733,GGA,P-62m,ABC_hP9_189_f_bc_g:In-Pd-Y,9.0,ABC_hP9_189_f_bc_g:In-Pd-Y +mp-568880,YInPd2,-5.7133244825,-0.8188448667,0.0,-0.0377932764,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Pd-Y,4.0,AB2C_cF16_225_a_c_b:In-Pd-Y +mp-1095803,Y2InPd,-3.3958804725,1.8202464692,2.5382629802,2.5382629802,GGA,Immm,ABC2_oI8_71_a_b_e:In-Pd-Y,4.0,ABC2_oI8_71_a_b_e:In-Pd-Y +mp-1079112,Y2InPd2,-6.075441971,-0.8665640557000001,0.0,-0.0089695247,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:In-Pd-Y,10.0,AB2C2_tP10_127_a_g_h:In-Pd-Y +mp-1215995,YInPdAu,-5.166750445,-0.7487707817,0.0143261733,0.0143261733,GGA,F-43m,ABCD_cF16_216_a_c_b_d:Au-In-Pd-Y,4.0,ABCD_cF16_216_a_c_b_d:Au-In-Pd-Y +mp-1093733,Y2PdAu,-3.8179304125,1.5287460967,2.4267874912,2.4267874912,GGA,Immm,ABC2_oI8_71_a_b_e:Au-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Au-Pd-Y +mp-1093716,YPdAu2,-3.1934866125,1.3550426183,2.1177708558,2.1177708558,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Pd-Y,4.0,A2BC_oI8_71_e_a_b:Au-Pd-Y +mp-1096491,YPd2Au,-3.735612925,1.2894162583,2.1017056329,2.1017056329,GGA,Immm,AB2C_oI8_71_a_e_b:Au-Pd-Y,4.0,AB2C_oI8_71_a_e_b:Au-Pd-Y +mp-863724,InPd2Au,-4.4976189875,-0.40128665,0.0,-0.0142496331,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Au-In-Pd,4.0,ABC2_cF16_225_a_b_c:Au-In-Pd +mp-980936,Y5(In2Pd)2,-5.5851176155,-0.7034036058,0.0,-0.0408253668,GGA,Pbam,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Y,22.0,A4B2C5_oP22_55_2g_g_b2h:In-Pd-Y +mp-1208908,Sm4PdO7,-8.2321180125,-3.3420307351,0.0086428931,0.0086428931,GGA,P-1,A7BC4_aP24_2_7i_ab_4i:O-Pd-Sm,24.0,A7BC4_aP24_2_7i_ab_4i:O-Pd-Sm +mp-8515,BaSm2PdO5,-7.595667315,-3.0101703621,0.0,-0.0155284707,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Sm,18.0,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Sm +mp-1111403,Rb2BiAuF6,-4.423899117,-2.369467809,0.1670100775,0.1670100775,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-F-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-F-Rb +mp-1093636,NaCdIn2,-0.95393356,0.9832620684,1.0643472932,1.0643472932,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-In-Na,4.0,AB2C_oI8_71_a_e_b:Cd-In-Na +mp-633668,K23Na8(CdIn4)12,-2.1223851091,-0.1523315455,0.0,-0.0117352446,GGA,P6/mmm,A12B48C23D8_hP91_191_n_2mnop_ahko_el:Cd-In-K-Na,91.0,"Invalid WP multiplicities - A12B48C23D8_hP91_191_n_11m9n9o10p_a4h5k8o_2e3l:Cd-In-K-Na, expected K143Na22(Cd2In67)6 to be K23Na8(CdIn4)12" +mp-1096599,NaCd2In,-0.664493855,0.8155032809,0.9028618089,0.9028618089,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-In-Na,4.0,A2BC_oI8_71_e_a_b:Cd-In-Na +mp-1186121,NaCd2In,-1.5512522025000002,-0.0712550666,0.0161034614,0.0161034614,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-In-Na,4.0,A2BC_cF16_225_c_a_b:Cd-In-Na +mp-1111036,Rb2GaCuF6,-4.705998973,-2.6502745087,0.0388392595,0.0388392595,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-Rb +mp-16921,KNa4GeAs3,-3.1839766647,-0.4061007546,0.0,-0.0057765505,GGA,Pnma,A3BCD4_oP36_62_3c_c_c_4c:As-Ge-K-Na,36.0,A3BCD4_oP36_62_3c_c_c_4c:As-Ge-K-Na +mp-1211990,K7NaGe8,-3.0965187092,-0.2165474116,0.0,-0.0111608548,GGA,Pa-3,A8B7C_cP64_205_cd_ad_b:Ge-K-Na,64.0,A8B7C_cP64_205_cd_ad_b:Ge-K-Na +mp-554903,TbSeClO3,-6.6240823558,-2.4876022939,0.0,-0.0824666607,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Tb,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_3c4d_c_c:Cl-O-Se-Tb, expected TbSeClO11 to be TbSeClO3" +mp-558490,Tb3Se2ClO8,-7.267930190499999,-2.8167182187,0.0,-0.0142147372,GGA,Pnma,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Se-Tb,56.0,"Invalid WP multiplicities - AB8C2D3_oP56_62_c_22d_d_2c3d:Cl-O-Se-Tb, expected Tb8Se2ClO44 to be Tb3Se2ClO8" +mp-555909,Tb5Se2Cl3O10,-7.2894177225,-3.0306101951,0.0,-0.0283539658,GGA,C2/m,A3B10C2D5_mC40_12_ai_i2j_i_d2i:Cl-O-Se-Tb,20.0,"Invalid WP multiplicities - A3B10C2D5_mC40_12_ai_i7j_i_c3i:Cl-O-Se-Tb, expected Tb7Se2(ClO10)3 to be Tb5Se2Cl3O10" +mp-1226123,ErThFe14B,-8.180079964,-0.1070643304,0.0022815211,0.0022815211,GGA,P4_2/mnm,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Th,68.0,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Th +mp-1200718,Cs2InCl5O,-3.5042384789,-1.4229206472,0.396020011,0.396020011,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-In-O,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-In-O +mp-736223,Cs2InCl5O,-3.3388777975,-1.2575599658,0.5613806924,0.5613806924,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-In-O,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-In-O +mp-24724,TbH2,-4.60750276,-0.8008966967000001,0.0,-0.0534460541,GGA,Fm-3m,A2B_cF12_225_c_a:H-Tb,3.0,A2B_cF12_225_c_a:H-Tb +mp-1217796,Tb2Ti2Fe22H,-8.0496351533,-0.0943422312,0.0252147367,0.0252147367,GGA,Cm,A22BC2D2_mC54_8_14a4b_a_2a_2a:Fe-H-Tb-Ti,27.0,"Invalid WP multiplicities - A22BC2D2_mC54_8_14a8b_a_2a_2a:Fe-H-Tb-Ti, expected Tb2Ti2Fe30H to be Tb2Ti2Fe22H" +mp-982384,TbH3,-4.4317016758,-0.7285656171,0.0,-0.0979041374,GGA,P-3c1,A3B_hP24_165_adg_f:H-Tb,24.0,"Invalid WP multiplicities - A3B_hP24_165_2a4d3g_f:H-Tb, expected Tb3H28 to be TbH3" +mp-1079249,TbH3,-4.4234038875,-0.7202678287000001,0.0082977883,-0.0896063491,GGA,P6_3/mmc,A3B_hP8_194_bf_c:H-Tb,8.0,A3B_hP8_194_bf_c:H-Tb +mp-999123,TbH3,-4.3703125325,-0.6671764737,0.0613891433,-0.0365149941,GGA,Fm-3m,A3B_cF16_225_ac_b:H-Tb,4.0,A3B_cF16_225_ac_b:H-Tb +mp-32565,Tb4H9,-4.5509678831,-0.7761987442,0.0024422356,0.0024422356,GGA,I4/mmm,A9B4_tI26_139_am_ce:H-Tb,13.0,"Invalid WP multiplicities - A9B4_tI26_139_a2m_ce:H-Tb, expected Tb4H17 to be Tb4H9" +mp-1208578,Tb2Fe17H3,-7.5109252516,-0.0819583923,0.0868065633,0.0868065633,GGA,P6_3/mmc,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Tb,44.0,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Tb +mp-1229141,Ag2HgGeS4,-3.8600173138,-0.467814852,0.0,-0.0119391191,GGA,Pc,A2BCD4_mP16_7_2a_a_a_4a:Ag-Ge-Hg-S,16.0,"Invalid WP multiplicities - A2BCD4_mP16_7_2a_a_a_5a:Ag-Ge-Hg-S, expected Ag2HgGeS5 to be Ag2HgGeS4" +mp-9635,Ag2HgS2,-3.103935701,-0.2555972799,0.032525876,0.032525876,GGA,P2_1/c,A2BC2_mP10_14_e_a_e:Ag-Hg-S,10.0,A2BC2_mP10_14_e_a_e:Ag-Hg-S +mp-542199,Ag4HgGe2S7,-4.0265072504,-0.4668565963,0.002292635,0.002292635,GGA,Cc,A4B2CD7_mC56_9_4a_2a_a_7a:Ag-Ge-Hg-S,28.0,A4B2CD7_mC56_9_4a_2a_a_7a:Ag-Ge-Hg-S +mp-1211581,La2Ta3(SeO4)2,-9.3380820108,-3.2040366945,0.0,-0.0052437732,GGA,Pnnm,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:La-O-Se-Ta,60.0,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:La-O-Se-Ta +mp-866713,ReTeSCl4,-4.9363512686,-1.0622898993,0.0,-0.0211520313,GGA,I-4,A4BCD_tI56_82_4g_g_g_g:Cl-Re-S-Te,28.0,A4BCD_tI56_82_4g_g_g_g:Cl-Re-S-Te +mp-5222,ReTeS,-7.2600765375,-0.6853155558,0.0,-0.0151801582,GGA,F-43m,ABC_cF48_216_e_e_e:Re-S-Te,12.0,ABC_cF48_216_e_e_e:Re-S-Te +mp-672186,TeS7Cl2,-4.2042571708,-0.6247043426000001,0.0,-0.3497069546,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Cl-S-Te,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_4c14d_c:Cl-S-Te, expected TeS32Cl5 to be TeS7Cl2" +mp-1179246,TeS7Cl2,-3.9934323922,-0.4138795641,0.2108247785,-0.1388821761,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Cl-S-Te,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_4c14d_c:Cl-S-Te, expected TeS32Cl5 to be TeS7Cl2" +mp-1112210,K2AlHgCl6,-3.496705644,-1.7605782391,0.1065933876,0.1065933876,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-Hg-K +mp-1209407,Pr4Re6O19,-9.093946699,-2.6188476768,0.0052604902,0.0052604902,GGA,I23,A19B4C6_cI58_197_adf_c_e:O-Pr-Re,29.0,A19B4C6_cI58_197_adf_c_e:O-Pr-Re +mp-1209366,Pr3(ReO5)2,-8.893018046,-2.9797741295,0.0009047711,0.0009047711,GGA,C2/m,A10B3C2_mC30_12_3ij_ah_i:O-Pr-Re,15.0,A10B3C2_mC30_12_3ij_ah_i:O-Pr-Re +mp-2218135,PrMg(ReO4)2,-8.31196282,-2.4083169979,0.2389475685,0.2389475685,GGA,Cm,AB8CD2_mC24_8_a_4a2b_a_2a:Mg-O-Pr-Re,12.0,"Invalid WP multiplicities - AB8CD2_mC24_8_a_4a4b_a_2a:Mg-O-Pr-Re, expected PrMg(ReO6)2 to be PrMg(ReO4)2" +mp-2240858,PrMg(ReO4)2,-8.368568314200001,-2.4649224921,0.1823420743,0.1823420743,GGA,C2/m,AB8CD2_mC24_12_a_2ij_c_i:Mg-O-Pr-Re,12.0,"Invalid WP multiplicities - AB8CD2_mC24_12_a_3i2j_d_i:Mg-O-Pr-Re, expected PrMg(ReO7)2 to be PrMg(ReO4)2" +mp-11207,Pr3ReO7,-8.7972564568,-3.2141595997,0.040983678,0.040983678,GGA,Cmcm,A7B3C_oC44_63_cgh_ag_b:O-Pr-Re,22.0,"Invalid WP multiplicities - A7B3C_oC44_63_cg2h_a2g_b:O-Pr-Re, expected Pr5ReO11 to be Pr3ReO7" +mp-1209784,Pr3Re2O9,-8.9908530575,-3.0085694835,0.0,-0.0281535453,GGA,P-1,A9B3C2_aP28_2_9i_3i_2i:O-Pr-Re,28.0,A9B3C2_aP28_2_9i_3i_2i:O-Pr-Re +mp-16163,Pr3ReO8,-8.759649039,-3.229586194,0.0,-0.1343030361,GGA,P2_1/c,A8B3C_mP48_14_8e_3e_e:O-Pr-Re,48.0,A8B3C_mP48_14_8e_3e_e:O-Pr-Re +mp-1210926,PrRe3O16,-7.4504671962,-1.3873918617,0.4751184025,0.4751184025,GGA,P2_1/c,A16BC3_mP80_14_16e_e_3e:O-Pr-Re,80.0,A16BC3_mP80_14_16e_e_3e:O-Pr-Re +mp-2232228,MgCu2(IrS2)4,-5.8424354967,-0.6261668937,0.1378733621,0.1378733621,GGA,Imm2,A2B4CD8_oI30_44_ab_cd_a_2c2d:Cu-Ir-Mg-S,15.0,A2B4CD8_oI30_44_ab_cd_a_2c2d:Cu-Ir-Mg-S +mp-2232287,MgCu2(IrS2)4,-5.8822466033000005,-0.6659780003,0.0980622554,0.0980622554,GGA,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Cu-Ir-Mg-S,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_ad_b_c2h:Cu-Ir-Mg-S, expected MgCu2(Ir2S7)2 to be MgCu2(IrS2)4" +mp-2232276,MgCu2(IrS2)4,-5.5977848853,-0.3815162823,0.3825239734,0.3825239734,GGA,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Cu-Ir-Mg-S,15.0,"Invalid WP multiplicities - A2B4CD8_cF60_216_ac_e_b_4e:Cu-Ir-Mg-S, expected MgCu2(IrS4)4 to be MgCu2(IrS2)4" +mp-15065,Cu(IrS2)2,-6.1362267464,-0.6616732468000001,0.0,-0.03091918,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cu-Ir-S,14.0,AB2C4_cF56_227_a_d_e:Cu-Ir-S +mp-560573,La2Te3MoO12,-7.3542088035,-2.3815506626,0.0,-0.0114410374,GGA+U,Pnma,A2BC12D3_oP72_62_d_c_4c4d_cd:La-Mo-O-Te,72.0,"Invalid WP multiplicities - A2BC12D3_oP72_62_d_c_16c26d_3c4d:La-Mo-O-Te, expected La2Te11MoO68 to be La2Te3MoO12" +mp-1198614,La2Te(Mo3O22)2,-6.4470376874,-0.8669711957,0.5219817532000001,0.5219817532000001,GGA+U,P-1,A2B6C44D_aP53_2_i_3i_22i_a:La-Mo-O-Te,53.0,A2B6C44D_aP53_2_i_3i_22i_a:La-Mo-O-Te +mp-1203904,La2Te(MoO7)6,-6.5788733329,-0.9739684969,0.4694531951,0.4694531951,GGA+U,P-1,A2B6C42D_aP51_2_i_3i_21i_a:La-Mo-O-Te,51.0,A2B6C42D_aP51_2_i_3i_21i_a:La-Mo-O-Te +mp-1227821,La2TeMo6O35,-6.7957733594,-1.0861523218,0.5869046394,0.5869046394,GGA+U,P2_1,A2B6C35D_mP88_4_2a_6a_35a_a:La-Mo-O-Te,88.0,"Invalid WP multiplicities - A2B6C35D_mP88_4_3a_9a_52a_a:La-Mo-O-Te, expected La3TeMo9O52 to be La2TeMo6O35" +mp-676663,ZnSnSb2,-3.3978201654,-0.0159906792,0.1433385933,0.0879642086,GGA,Cm,A2BC_mC48_8_12a_6a_6a:Sb-Sn-Zn,24.0,A2BC_mC48_8_12a_6a_6a:Sb-Sn-Zn +mp-1215452,ZnSnSb2,-3.5395983075,-0.1577688212,0.0015604513,-0.0538139334,GGA,P-4m2,A2BC_tP4_115_g_a_c:Sb-Sn-Zn,4.0,A2BC_tP4_115_g_a_c:Sb-Sn-Zn +mp-4756,ZnSnSb2,-3.5411587588,-0.1593292725,0.0,-0.0553743847,GGA,I-42d,A2BC_tI16_122_d_a_b:Sb-Sn-Zn,8.0,A2BC_tI16_122_d_a_b:Sb-Sn-Zn +mp-1346908,Zn2SnSbO6,-5.8023080635,-1.7684888053,0.1343628385,0.1343628385,GGA,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sb-Sn-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e6f_a_c_2e:O-Sb-Sn-Zn, expected Zn2SnSbO16 to be Zn2SnSbO6" +mp-1112760,Cs2KLuCl6,-4.375008922,-2.5236715049000003,0.0,-0.0628788586,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Lu,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Lu +mp-558042,Sm3CuSnS7,-5.9940408658,-1.7257336993,0.0,-0.0127980239,GGA,P6_3,AB7C3D_hP24_173_a_b2c_c_b:Cu-S-Sm-Sn,24.0,"Invalid WP multiplicities - AB7C3D_hP24_173_a_2b8c_c_b:Cu-S-Sm-Sn, expected Sm3CuSnS26 to be Sm3CuSnS7" +mp-7355,Sm2SnS5,-6.0084411169,-1.7423169345,0.0035248147,0.0035248147,GGA,Pbam,A5B2C_oP16_55_agh_h_c:S-Sm-Sn,16.0,"Invalid WP multiplicities - A5B2C_oP16_55_a2gh_h_c:S-Sm-Sn, expected Sm2SnS7 to be Sm2SnS5" +mp-1112721,Cs2KPrCl6,-4.36830323,-2.4909702894,0.0137984433,0.0137984433,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Pr +mp-1246848,Sr3CuN3,-5.3296621821,-0.4472090671,0.2014939379,0.2014939379,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cu-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Cu-N-Sr +mp-1246496,Sr2CuN2,-5.406851148,-0.5766144627,0.0471653767,0.0471653767,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Cu-N-Sr,5.0,AB2C2_tI10_139_a_e_e:Cu-N-Sr +mp-29136,Sr6Cu3N5,-5.1943846864,-0.6145950182000001,0.0,-0.0134445818,GGA,P4_2mc,A3B5C6_tP28_105_bd_cde_acf:Cu-N-Sr,28.0,A3B5C6_tP28_105_bd_cde_acf:Cu-N-Sr +mp-1218762,Sr2Li7CuN4,-4.3942504493,-0.523776639,0.0,-0.0004354791,GGA,Imm2,AB7C4D2_oI28_44_a_3a4b_2a2b_ab:Cu-Li-N-Sr,14.0,AB7C4D2_oI28_44_a_3a4b_2a2b_ab:Cu-Li-N-Sr +mp-1209607,SrLiCuN,-3.8644050075,0.1441244712,0.6115199231,0.6115199231,GGA,I4_1/amd,ABCD_tI64_141_h_h_h_h:Cu-Li-N-Sr,32.0,ABCD_tI64_141_h_h_h_h:Cu-Li-N-Sr +mp-21609,SrCuN,-5.2648465744,-0.556448225,0.0,-0.0418647911,GGA,Pnma,ABC_oP36_62_ad_cd_cd:Cu-N-Sr,36.0,"Invalid WP multiplicities - ABC_oP36_62_a2d_c2d_cd:Cu-N-Sr, expected Sr3(CuN)5 to be SrCuN" +mp-1111585,K2TlAuBr6,-2.985899353,-1.2683500509,0.0786501418,0.0786501418,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Tl +mp-1205697,Ba2PuInO6,-8.039896924,-2.9861365033,0.0,-0.104743405,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Pu,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Pu +mp-1186797,PuInO3,-8.571502524,-2.1995848853,0.6567253627,0.6567253627,GGA,Pm-3m,AB3C_cP5_221_b_c_a:In-O-Pu,5.0,AB3C_cP5_221_b_c_a:In-O-Pu +mp-1042650,ZnCoMo2O7,-7.5708418459,-1.690279791,0.1426947781,0.1426947781,GGA+U,P2_1/c,AB2C7D_mP88_14_2e_4e_14e_2e:Co-Mo-O-Zn,88.0,"Invalid WP multiplicities - AB2C7D_mP88_14_2e_7e_17e_3e:Co-Mo-O-Zn, expected Zn3Co2Mo7O17 to be ZnCoMo2O7" +mp-1222925,LaPr3(CoP)8,-6.938017519,-0.9654331798,0.0094219707,0.0094219707,GGA,P4/mmm,A8BC8D3_tP20_123_2i_a_2g2h_bh:Co-La-P-Pr,20.0,"Invalid WP multiplicities - A8BC8D3_tP20_123_5i_a_3g4h_b2h:Co-La-P-Pr, expected LaPr5(Co10P7)2 to be LaPr3(CoP)8" +mp-1193900,PrCo8P5,-7.0467410754,-0.7100296005000001,0.0,-0.0230542456,GGA,Pmmn,A8B5C_oP28_59_ab3e_a2e_a:Co-P-Pr,28.0,A8B5C_oP28_59_ab3e_a2e_a:Co-P-Pr +mp-1223190,La3Pr(CoP)8,-6.981299353,-0.9932048788,0.0,-0.0007471445,GGA,P4/mmm,A8B3C8D_tP20_123_2i_ah_2g2h_b:Co-La-P-Pr,20.0,"Invalid WP multiplicities - A8B3C8D_tP20_123_5i_a2h_4g3h_b:Co-La-P-Pr, expected La5Pr(Co10P7)2 to be La3Pr(CoP)8" +mp-1018897,PrCoP,-6.694397385,-0.9268886994,0.07996013,0.07996013,GGA,P4/nmm,ABC_tP6_129_a_c_c:Co-P-Pr,6.0,ABC_tP6_129_a_c_c:Co-P-Pr +mp-1223596,La(CoP3)20,-6.3385222685,-0.5125900043,0.0125287085,0.0125287085,GGA,C2/m,A20BC60_mC162_12_ef4j_a_10i10j:Co-La-P,81.0,"Invalid WP multiplicities - A20BC60_mC162_12_2e2f14j_a_18i35j:Co-La-P, expected La(Co4P11)16 to be La(CoP3)20" +mp-1223424,La4Pr(CoP)10,-6.9813614872,-0.9917159995,0.0031246136,0.0031246136,GGA,I4/mmm,A10B4C10D_tI50_139_d2g_2e_5e_a:Co-La-P-Pr,25.0,"Invalid WP multiplicities - A10B4C10D_tI50_139_2d7g_3e_9e_a:Co-La-P-Pr, expected La6Pr(Co16P9)2 to be La4Pr(CoP)10" +mp-1204360,PrCo3P2,-6.9881487622,-0.83273807,0.0,-0.0120301824,GGA,Pmmn,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Pr,36.0,A3B2C_oP36_59_2ab3e_2a2e_be:Co-P-Pr +mp-978102,Pr2Co12P7,-7.0516954433,-0.7300410340000001,0.0,-0.0049981837,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Pr,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Pr +mp-4402,La(CoP)2,-6.997233092,-1.0013835503,0.0,-0.0240170255,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-La-P,5.0,A2BC2_tI10_139_d_a_e:Co-La-P +mp-9552,LaCo5P3,-7.1021425328,-0.8001976883,0.0,-0.0538432015,GGA,Cmcm,A5BC3_oC36_63_a2f_c_cf:Co-La-P,18.0,"Invalid WP multiplicities - A5BC3_oC36_63_a3f_c_cf:Co-La-P, expected LaCo7P3 to be LaCo5P3" +mp-1222832,LaPr(CoP)4,-6.962421786,-0.9820823793,0.0019476353,0.0019476353,GGA,P4/mmm,A4BC4D_tP10_123_i_a_gh_d:Co-La-P-Pr,10.0,"Invalid WP multiplicities - A4BC4D_tP10_123_i_a_2gh_d:Co-La-P-Pr, expected LaPr(Co2P3)2 to be LaPr(CoP)4" +mp-1204625,PrCo5P3,-7.0433722681,-0.7586609069,0.0,-0.0057983094,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Pr,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Pr +mp-5054,Pr(CoP)2,-6.930509558,-0.9656802863,0.0,-0.0155775928,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-P-Pr,5.0,A2B2C_tI10_139_d_e_a:Co-P-Pr +mp-504771,LaCo8P5,-7.0719141171,-0.7241239744,0.0,-0.0141950407,GGA,Pmmn,A8BC5_oP28_59_ab3e_a_a2e:Co-La-P,28.0,A8BC5_oP28_59_ab3e_a_a2e:Co-La-P +mp-1105673,Pr(CoP3)4,-6.3093183794,-0.534388555,0.0884184547,0.0884184547,GGA,Im-3,A4B12C_cI34_204_c_g_a:Co-P-Pr,17.0,A4B12C_cI34_204_c_g_a:Co-P-Pr +mp-1113488,Rb2MnHgF6,-4.91178564,-2.6222218793,0.0405916045,0.0405916045,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mn-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Mn-Rb +mp-1199284,Gd4GaSbS9,-8.5581173823,-1.8454750474,0.0,-0.0052654034,GGA,Aea2,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Gd-S-Sb,60.0,AB4C9D_oC120_41_b_4b_2a8b_b:Ga-Gd-S-Sb +mp-556850,BaMnF4,-6.6812124933,-3.5600614763,0.0060959967,0.0060959967,GGA+U,Cmc2_1,AB4C_oC24_36_a_4a_a:Ba-F-Mn,12.0,AB4C_oC24_36_a_4a_a:Ba-F-Mn +mp-532211,Ba14MnSb11,-4.2085154449,-1.0759509029,0.0137996611,0.0137996611,GGA,Iba2,A14BC11_oI208_45_ab13c_c_11c:Ba-Mn-Sb,104.0,"Invalid WP multiplicities - A14BC11_oI208_45_2a2b50c_c_40c:Ba-Mn-Sb, expected Ba52MnSb40 to be Ba14MnSb11" +mp-1078949,BaMnSbF,-6.1484719362,-1.8681043264,0.0118698684,0.0118698684,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-F-Mn-Sb,8.0,ABCD_tP8_129_c_a_b_c:Ba-F-Mn-Sb +mp-540958,BaMnF5,-6.3626189014,-3.4142781772,0.0,-0.04879292,GGA+U,P2_12_12_1,AB5C_oP28_19_a_5a_a:Ba-F-Mn,28.0,AB5C_oP28_19_a_5a_a:Ba-F-Mn +mp-1049304,Ba2Mn2F11,-6.0973500684,-3.2181334613,0.0074704417,0.0074704417,GGA+U,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-Mn,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-Mn, expected Ba5Mn5F31 to be Ba2Mn2F11" +mp-567240,Ba(MnSb)2,-6.08562209,-0.3854204892,0.1241477535,0.1241477535,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Mn-Sb,5.0,AB2C2_tI10_139_a_d_e:Ba-Mn-Sb +mp-29206,BaMnSb2,-5.3835522562,-0.5488040782,0.0881562251,0.0881562251,GGA,I4/mmm,ABC2_tI16_139_e_d_ce:Ba-Mn-Sb,8.0,ABC2_tI16_139_e_d_ce:Ba-Mn-Sb +mp-1215085,Ba3MnF12,-5.2585010188,-2.8924580361,0.2046782614,0.2046782614,GGA+U,C2/m,A3B12C_mC32_12_ce_3j_b:Ba-F-Mn,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ce_10j_a:Ba-F-Mn, expected Ba3MnF40 to be Ba3MnF12" +mp-1237261,Ba3MnF12,-5.2848180975,-2.9187751149,0.1783611827,0.1783611827,GGA+U,C2/m,A3B12C_mC32_12_ce_3j_a:Ba-F-Mn,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_c:Ba-F-Mn, expected Ba3MnF40 to be Ba3MnF12" +mp-1206760,Ba3MnF6,-5.81675799,-3.1779765983,0.5696091052,0.5696091052,GGA+U,P-1,A3B6C_aP10_2_bch_3i_a:Ba-F-Mn,10.0,A3B6C_aP10_2_bch_3i_a:Ba-F-Mn +mp-1233409,Er6MgTa2O14,-8.8498648783,-3.5465696553,0.2234485122,0.2234485122,GGA,C2,A6BC14D2_mC46_5_ab2c_a_7c_ab:Er-Mg-O-Ta,23.0,"Invalid WP multiplicities - A6BC14D2_mC46_5_ab3c_a_10c_ab:Er-Mg-O-Ta, expected Er8MgTa2O20 to be Er6MgTa2O14" +mp-1233913,Er6MgTa2O14,-8.8923176057,-3.5890223827,0.1809957848,0.1809957848,GGA,Amm2,A6BC14D2_oC46_38_cde_a_abde2f_c:Er-Mg-O-Ta,23.0,"Invalid WP multiplicities - A6BC14D2_oC46_38_c2d2e_a_ab2d2e4f_c:Er-Mg-O-Ta, expected Er10MgTa2O26 to be Er6MgTa2O14" +mp-1112440,K2AlAuCl6,-3.732639989,-1.6994924206,0.1039709837,0.1039709837,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-Cl-K +mp-861656,Ti2CrIr,-9.13198574,-0.5613693192,0.0,-0.0562711525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Ir-Ti,4.0,ABC2_cF16_225_a_b_c:Cr-Ir-Ti +mp-1105310,TiCr(BIr)2,-8.7238475944,-0.6264823631,0.067675814,0.067675814,GGA,P-62m,A2BC2D_hP18_189_adf_g_j_g:B-Cr-Ir-Ti,18.0,A2BC2D_hP18_189_adf_g_j_g:B-Cr-Ir-Ti +mp-3035,Ce(FeSi)2,-7.373976186,-0.6292226590000001,0.0,-0.079733588,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Fe-Si,5.0,AB2C2_tI10_139_a_d_e:Ce-Fe-Si +mp-20245,CeFeSi,-7.1952063633,-0.5857302317,0.0,-0.0613780158,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-Fe-Si,6.0,ABC_tP6_129_c_a_c:Ce-Fe-Si +mp-1226814,Ce2FeSi3,-6.6374748867,-0.535449285,0.1068893279,0.1068893279,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ce-Fe-Si,6.0,A2BC3_hP6_187_i_a_bcd:Ce-Fe-Si +mp-1025450,CeFeSi2,-6.96653497,-0.6530983638,0.0,-0.0306110606,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Fe-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Fe-Si +mp-1025523,CeFeSi2,-6.904308705,-0.5908720988,0.062226265,0.0316152044,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ce-Fe-Si,8.0,ABC2_oC16_63_c_c_2c:Ce-Fe-Si +mp-1025289,Ce2Fe2Si2C,-7.5651056757,-0.5814596354,0.0,-0.0536110652,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Ce-Fe-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Ce-Fe-Si +mp-1193262,CeFe9Si4,-7.8048404529,-0.3859438696,0.0125320343,0.0125320343,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ce-Fe-Si,28.0,AB9C4_tI56_140_a_dkl_l:Ce-Fe-Si +mp-1227651,Ce2Fe20Si2C,-8.1595401436,-0.1057039811,0.0571047168,0.0571047168,GGA,P-1,AB2C20D2_aP25_2_d_i_ac9i_bh:C-Ce-Fe-Si,25.0,"Invalid WP multiplicities - AB2C20D2_aP25_2_d_i_ac17i_bh:C-Ce-Fe-Si, expected Ce2Fe36Si2C to be Ce2Fe20Si2C" +mp-1203651,Co3Ag(AsO4)3,-6.5074266911,-1.3761041048,0.0787889436,0.0787889436,GGA+U,C2/c,AB3C3D12_mC76_15_e_ef_ef_6f:Ag-As-Co-O,38.0,AB3C3D12_mC76_15_e_ef_ef_6f:Ag-As-Co-O +mp-18073,K7TaAs4,-3.6508420071,-0.4619216838,0.0,-0.0784436113,GGA,Pmn2_1,A4B7C_oP24_31_2ab_3a2b_a:As-K-Ta,24.0,A4B7C_oP24_31_2ab_3a2b_a:As-K-Ta +mp-683905,K3Ta2AsSe11,-5.1569866756,-1.0298751015,0.0,-0.0338185299,GGA,Cc,AB3C11D2_mC68_9_a_3a_11a_2a:As-K-Se-Ta,34.0,"Invalid WP multiplicities - AB3C11D2_mC68_9_a_6a_19a_4a:As-K-Se-Ta, expected K6Ta4AsSe19 to be K3Ta2AsSe11" +mp-1219572,RbLiMnS2,-5.177117612,-1.112243219,0.0997767628,0.0997767628,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Li-Mn-Rb-S,5.0,ABCD2_tI10_119_a_b_c_f:Li-Mn-Rb-S +mp-1188719,GdCrTeO6,-8.8070464056,-2.5234233088,0.0,-0.025093309,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Gd-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Gd-O-Te +mp-1212384,GdCrTeO6,-8.5253997189,-2.2417766221,0.2816466867,0.2565533776,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Gd-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Gd-O-Te +mp-6080,BaNd2CoS5,-6.2971752122,-1.936526664,0.0714420562,0.0714420562,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-Nd-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Co-Nd-S +mp-1306506,Ca2FeIrO6,-7.3426253893,-2.2426466475,0.0,-0.0766489975,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Fe-Ir-O,40.0,A2BCD6_mP20_14_e_a_b_3e:Ca-Fe-Ir-O +mp-1333834,Mg3Sn3(AsO4)4,-6.4022853646,-1.9940911833,0.1775085607,0.1775085607,GGA,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Mg-O-Sn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Mg-O-Sn, expected Mg3Sn3(As5O29)2 to be Mg3Sn3(AsO4)4" +mp-1009082,MgSnAs2,-4.0438222837,-0.311800105,0.0,-0.0076319163,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Mg-Sn,8.0,A2BC_tI16_122_d_a_b:As-Mg-Sn +mp-1380438,MgSnAsO5,-6.4875526319,-2.1122508986,0.125038617,0.125038617,GGA,P1,ABC5D_aP32_1_4a_4a_20a_4a:As-Mg-O-Sn,32.0,ABC5D_mP32_4_3a_3a_15a_3a:As-Mg-O-Sn +mp-1042426,MgSnAs2O7,-6.4558588043,-1.950867014,0.1368224047,0.1368224047,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-Sn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-Sn +mp-567387,Ce(TiAl10)2,-4.460424943,-0.2588775609,0.0,-0.0483027055,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Ce-Ti,46.0,A20BC2_cF184_227_cfg_a_d:Al-Ce-Ti +mp-1193048,Ce3TiAlS7,-6.8885937246,-2.0223033596,0.0026151365,0.0026151365,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-Ti,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-Ti +mp-2231003,MgTi2(SeO3)4,-6.8001314047,-2.0245959032,0.1107611303,0.1107611303,GGA,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Se-Ti,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Se-Ti +mp-1040974,HoZn(MoO3)2,-8.085865923,-2.3645074263,0.0641691671,0.0641691671,GGA+U,Pc,AB2C6D_mP20_7_a_2a_6a_a:Ho-Mo-O-Zn,20.0,"Invalid WP multiplicities - AB2C6D_mP20_7_a_4a_12a_a:Ho-Mo-O-Zn, expected HoZn(MoO3)4 to be HoZn(MoO3)2" +mp-1112218,K2SmCuCl6,-4.305936912,-2.0929558461,0.0829167737,0.0829167737,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sm +mp-9361,RbLaS2,-5.6888348625,-2.1414746347,0.0,-0.1470965562,GGA,R-3m,ABC2_hR12_166_a_b_c:La-Rb-S,4.0,ABC2_hR12_166_a_b_c:La-Rb-S +mp-18658,RbLaSiS4,-5.7548404807,-1.7708892414,0.0,-0.0539793811,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:La-Rb-S-Si,28.0,ABC4D_oP28_62_c_c_2cd_c:La-Rb-S-Si +mp-1221072,NaSr11(PtO6)3,-6.3962490338,-2.5428929719,0.0,-0.0246056059,GGA,P321,AB18C3D11_hP66_150_d_6g_c2d_abdef2g:Na-O-Pt-Sr,66.0,"Invalid WP multiplicities - AB18C3D11_hP66_150_d_36g_2c4d_abd3e3f7g:Na-O-Pt-Sr, expected NaSr32(PtO18)6 to be NaSr11(PtO6)3" +mp-1233775,MgSc4(FeO3)4,-8.3985610133,-2.6761559731,0.1992482611,0.1992482611,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc +mp-1233878,MgSc4(FeO3)4,-8.3544812024,-2.6320761621,0.243328072,0.243328072,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc,21.0,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Fe-Mg-O-Sc +mp-2220857,MgSc4(FeO3)4,-8.4661862971,-2.7437812569,0.1316229773,0.1316229773,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc +mp-2220515,MgSc4(FeO3)4,-8.419542807100001,-2.6971377669,0.1782664673,0.1782664673,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Mg-O-Sc +mp-2217644,MgSc2(FeO3)2,-8.258908140900001,-2.7238724184,0.1746896562,0.1746896562,GGA+U,Cm,A2BC6D2_mC22_8_2a_a_6a_2a:Fe-Mg-O-Sc,11.0,A2BC6D2_mC22_8_2a_a_6a_2a:Fe-Mg-O-Sc +mp-557387,Sr2TmNbO6,-8.2186613545,-3.4550353907,0.0330330046,0.0330330046,GGA,Pnn2,AB6C2D_oP20_34_a_3c_c_b:Nb-O-Sr-Tm,20.0,"Invalid WP multiplicities - AB6C2D_oP20_34_a_9c_c_b:Nb-O-Sr-Tm, expected Sr2TmNbO18 to be Sr2TmNbO6" +mp-555109,TmNbO4,-9.3129336225,-3.5856177378,0.0,-0.1095084125,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Tm,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_4f_e:Nb-O-Tm, expected TmNbO8 to be TmNbO4" +mp-756751,Tm2Nb2O7,-9.20891143,-3.4106294386,0.0946895774,0.0946895774,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nb-O-Tm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_a2f_c:Nb-O-Tm, expected Tm2Nb2O13 to be Tm2Nb2O7" +mp-1253097,Ca2AlSbO5,-6.8879044006,-2.8191021354,0.1438888446,0.1438888446,GGA,Cc,AB2C5D_mC36_9_a_2a_5a_a:Al-Ca-O-Sb,18.0,"Invalid WP multiplicities - AB2C5D_mC36_9_a_3a_8a_a:Al-Ca-O-Sb, expected Ca3AlSbO8 to be Ca2AlSbO5" +mp-1111554,Li2FeHgF6,-4.585142155,-2.1791000437,0.4468323687,0.4468323687,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Li,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-Li +mp-644707,La5MnOs3O16,-8.6579214984,-2.7910745989,0.0436572513,0.0436572513,GGA+U,P-1,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mn-O-Os,25.0,A5BC16D3_aP25_2_b2i_e_8i_ai:La-Mn-O-Os +mp-31353,La3OsO7,-8.6865428568,-3.1717965183,0.0,-0.006499985,GGA,Cmcm,A3B7C_oC44_63_ag_cgh_b:La-O-Os,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_ag_cg2h_b:La-O-Os, expected La3OsO11 to be La3OsO7" +mp-27330,La3(OsO5)2,-8.5637107427,-2.7817345235,0.0,-0.0544756789,GGA,C2/m,A3B10C2_mC30_12_ah_3ij_i:La-O-Os,15.0,"Invalid WP multiplicities - A3B10C2_mC30_12_ah_3i2j_i:La-O-Os, expected La3(OsO7)2 to be La3(OsO5)2" +mp-541612,La4Os6O19,-8.5746281231,-2.3299619675,0.0,-0.0175203285,GGA,I23,A4B19C6_cI58_197_c_adf_e:La-O-Os,29.0,A4B19C6_cI58_197_c_adf_e:La-O-Os +mp-1037464,Mg30ZnCdO32,-6.2025238044,-2.9449445289,0.0168708445,0.0168708445,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Zn, expected Mg110ZnCdO72 to be Mg30ZnCdO32" +mp-1037450,Mg30ZnCdO32,-6.2020510198,-2.9444717444,0.0173436291,0.0173436291,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Zn, expected Mg90ZnCdO80 to be Mg30ZnCdO32" +mp-1096604,Mg2ZnCd,-0.2774953225,1.068303045,1.1809731806,1.1809731806,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Zn +mp-1035804,Mg14ZnCdO16,-6.0733355706,-2.8316614003,0.0379290472,0.0379290472,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Zn, expected Mg18ZnCdO20 to be Mg14ZnCdO16" +mp-1035754,Mg14ZnCdO16,-6.074215485,-2.8325413147000003,0.0370491328,0.0370491328,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Zn, expected Mg30ZnCdO32 to be Mg14ZnCdO16" +mp-1022589,Mg6ZnCd,-1.4991047075,-0.0260654987,0.0525190013,0.0525190013,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Zn, expected Mg12ZnCd to be Mg6ZnCd" +mp-1022607,Mg6ZnCd,-1.4982440738,-0.025204865,0.053379635,0.053379635,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Zn, expected Mg12ZnCd to be Mg6ZnCd" +mp-1027922,Mg14ZnCd,-1.5525134863,-0.0158538569,0.0372451848,0.0372451848,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Zn, expected Mg18ZnCd to be Mg14ZnCd" +mp-1027888,Mg14ZnCd,-1.5557454931,-0.0190858637,0.0340131779,0.0340131779,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Zn, expected Mg26ZnCd to be Mg14ZnCd" +mp-1032493,Mg6ZnCdO8,-5.81502163,-2.60515767,0.0799829256,0.0799829256,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Zn, expected Mg6ZnCdO12 to be Mg6ZnCdO8" +mp-1032531,Mg6ZnCdO8,-5.81643493,-2.60657097,0.0785696256,0.0785696256,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Zn, expected Mg6ZnCdO12 to be Mg6ZnCdO8" +mp-1213844,CeSCl,-6.4614722096,-2.4887803156,0.007827376,0.007827376,GGA,Pbca,ABC_oP24_61_c_c_c:Ce-Cl-S,24.0,ABC_oP24_61_c_c_c:Ce-Cl-S +mp-542133,Ce3Si2S8Cl,-6.3493841061000005,-1.8072384546,0.0,-0.0072398142,GGA,C2/c,A3BC8D2_mC56_15_ef_e_4f_f:Ce-Cl-S-Si,28.0,A3BC8D2_mC56_15_ef_e_4f_f:Ce-Cl-S-Si +mp-1213328,Eu3Sc2Al3O12,-9.2000044186,-3.4983576369,0.0,-0.0074597568,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Al-Eu-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Al-Eu-O-Sc +mp-636240,MgCuSn,-3.15135573,0.0849971283,0.2624813467,0.2185018394,GGA,F-43m,ABC_cF12_216_a_b_c:Cu-Mg-Sn,3.0,ABC_cF12_216_a_b_c:Cu-Mg-Sn +mp-11361,MgCuSn,-3.4138370767,-0.1774842183,0.0,-0.0439795073,GGA,F-43m,ABC_cF12_216_c_a_b:Cu-Mg-Sn,3.0,ABC_cF12_216_c_a_b:Cu-Mg-Sn +mp-1022096,Mg6CuSn,-2.2199849981,-0.006177645,0.1153765944,0.1153765944,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Sn, expected Mg12CuSn to be Mg6CuSn" +mp-1022113,Mg6CuSn,-2.2218549256,-0.0080475725,0.1135066669,0.1135066669,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Sn, expected Mg12CuSn to be Mg6CuSn" +mp-1027829,Mg14CuSn,-1.9169276538,-0.0098839522,0.0645207425,0.0645207425,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Sn, expected Mg18CuSn to be Mg14CuSn" +mp-1027816,Mg14CuSn,-1.9199986419,-0.0129549403,0.0614497543,0.0614497543,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Sn, expected Mg26CuSn to be Mg14CuSn" +mp-2216900,MgCu3(SnO3)4,-6.094857213,-1.6300346123,0.227529378,0.227529378,GGA,Cm,A3BC12D4_mC40_8_3a_a_4a4b_2b:Cu-Mg-O-Sn,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_8_3a_a_4a8b_3b:Cu-Mg-O-Sn, expected MgCu3(Sn3O10)2 to be MgCu3(SnO3)4" +mp-1042619,MgCu3(SnO3)4,-6.175222399,-1.7103997982,0.147164192,0.147164192,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Sn,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Sn +mp-3676,MgCu4Sn,-3.79437012,-0.1265903558,0.0,-0.0378482467,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Mg-Sn,6.0,A4BC_cF24_216_e_a_c:Cu-Mg-Sn +mp-1041178,MgCu2(SnO4)2,-6.0103267375,-1.5956077537,0.1848411444,0.1848411444,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-Sn,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-Sn, expected MgCu6Sn5O26 to be MgCu2(SnO4)2" +mp-1037360,Mg30CuSnO32,-6.2494181086000005,-2.8992428151,0.0653307644,0.0653307644,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Sn, expected Mg90CuSnO80 to be Mg30CuSnO32" +mp-1037325,Mg30CuSnO32,-6.2460958989,-2.8959206054,0.0686529741,0.0686529741,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Sn, expected Mg110CuSnO72 to be Mg30CuSnO32" +mp-1035350,Mg14CuSnO16,-6.1818900297,-2.7550238233,0.1200830362,0.1200830362,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Sn, expected Mg18CuSnO20 to be Mg14CuSnO16" +mp-1035374,Mg14CuSnO16,-6.1756227372,-2.7487565308,0.1263503287,0.1263503287,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Sn, expected Mg30CuSnO32 to be Mg14CuSnO16" +mp-1032122,Mg6CuSnO8,-6.05807915,-2.4778311178,0.2183423019,0.2183423019,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Sn, expected Mg6CuSnO12 to be Mg6CuSnO8" +mp-1032148,Mg6CuSnO8,-6.0361541281,-2.4559060959,0.2402673238,0.2402673238,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Sn, expected Mg6CuSnO12 to be Mg6CuSnO8" +mp-1045454,Zn(NiS2)2,-4.7585362764,-0.5634196425,0.1967547858,0.1967547858,GGA,P-1,A2B4C_aP14_2_abcd_4i_ef:Ni-S-Zn,14.0,"Invalid WP multiplicities - A2B4C_aP14_2_abcd_8i_eg:Ni-S-Zn, expected Zn(NiS4)2 to be Zn(NiS2)2" +mp-1443364,Zn(NiS2)2,-4.8461629243,-0.6510462904000001,0.109128138,0.109128138,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Ni-S-Zn,14.0,A2B4C_cF56_227_c_e_b:Ni-S-Zn +mp-1022626,Mg6ZnNi,-2.0669729094,0.0132221644,0.1183432059,0.1183432059,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Zn, expected Mg12ZnNi to be Mg6ZnNi" +mp-1022676,Mg6ZnNi,-2.0697500444,0.0104450294,0.1155660709,0.1155660709,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-Zn, expected Mg12ZnNi to be Mg6ZnNi" +mp-1443338,Zn(NiS2)4,-4.9841624677,-0.5632479088,0.1193806766,0.1193806766,GGA,R-3m,A4B8C_hR39_166_ad_ch_b:Ni-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_ad_c2h_b:Ni-S-Zn, expected Zn(Ni2S7)2 to be Zn(NiS2)4" +mp-1390608,Zn(NiS2)4,-4.9923291169,-0.5714145581,0.1112140274,0.1112140274,GGA,R-3m,A4B8C_hR39_166_bd_ch_a:Ni-S-Zn,13.0,"Invalid WP multiplicities - A4B8C_hR39_166_bd_c2h_a:Ni-S-Zn, expected Zn(Ni2S7)2 to be Zn(NiS2)4" +mp-1028047,Mg14ZnNi,-1.8287164162,0.0115211456,0.0773126582,0.0773126582,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Zn, expected Mg18ZnNi to be Mg14ZnNi" +mp-1027979,Mg14ZnNi,-1.8268419012,0.0133956606,0.0791871732,0.0791871732,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Zn, expected Mg26ZnNi to be Mg14ZnNi" +mp-2229005,MgZn2(Ni2S5)2,-4.61708624,-0.5815090248,0.2629345636,0.2629345636,GGA,P2,AB4C10D2_mP17_3_a_2e_bc4e_ad:Mg-Ni-S-Zn,17.0,"Invalid WP multiplicities - AB4C10D2_mP17_3_a_3e_bd7e_ac:Mg-Ni-S-Zn, expected MgZn2(Ni3S8)2 to be MgZn2(Ni2S5)2" +mp-2229373,MgZn2(Ni2S5)2,-4.6747864871,-0.6392092718,0.2052343166,0.2052343166,GGA,Pm,AB4C10D2_mP17_6_a_2a2b_5a5b_ab:Mg-Ni-S-Zn,17.0,AB4C10D2_mP17_6_a_2a2b_5a5b_ab:Mg-Ni-S-Zn +mp-1093647,MgZnNi2,-1.7364789125,1.8685953425,2.0945072279,2.0945072279,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ni-Zn,4.0,AB2C_oI8_71_a_e_b:Mg-Ni-Zn +mp-1185615,MgZnNi2,-3.811916695,-0.20684244,0.0190694454,0.0190694454,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Mg-Ni-Zn +mp-1374814,ZnNi2S5,-4.7312603425,-0.5434770545000001,0.1664246257,0.1664246257,GGA,Pmmn,A2B5C_oP16_59_e_a2e_b:Ni-S-Zn,16.0,A2B5C_oP16_59_e_a2e_b:Ni-S-Zn +mp-2232584,MgZn2(NiS2)4,-4.650661456,-0.6285339277,0.2695803529,0.2695803529,GGA,C2,AB4C8D2_mC30_5_a_2c_4c_ab:Mg-Ni-S-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_5_a_2c_7c_ab:Mg-Ni-S-Zn, expected MgZn2(Ni2S7)2 to be MgZn2(NiS2)4" +mp-2232120,MgZn2(NiS2)4,-4.687114428,-0.6649868997,0.2331273809,0.2331273809,GGA,Imm2,AB4C8D2_oI30_44_a_cd_2c2d_ab:Mg-Ni-S-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_2c2d_3c3d_ab:Mg-Ni-S-Zn, expected MgZn2(Ni2S3)4 to be MgZn2(NiS2)4" +mp-2232358,MgZn2(NiS2)4,-4.67487014,-0.6527426117,0.2453716689,0.2453716689,GGA,R-3m,AB4C8D2_hR45_166_b_ad_ch_c:Mg-Ni-S-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_hR45_166_b_a2d_2c2h_c:Mg-Ni-S-Zn, expected MgZn2Ni7S16 to be MgZn2(NiS2)4" +mp-15318,Rb2NaHoF6,-5.53308691,-3.5995992987000003,0.0,-0.052584429,GGA,I4/m,A6BCD2_tI20_87_eh_a_b_d:F-Ho-Na-Rb,10.0,A6BCD2_tI20_87_eh_a_b_d:F-Ho-Na-Rb +mp-15317,Rb2NaHoF6,-5.531736262,-3.5982486507,0.001350648,-0.051233781,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ho-Na-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ho-Na-Rb +mp-1002080,CsLiICl,-3.204987445,-1.6734303828,0.2754101538,0.2754101538,GGA,P4/mmm,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-Li,4.0,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-Li +mp-1110654,Rb2LiMoF6,-5.609144239,-2.9906927463,0.0,-0.0363623648,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Mo-Rb +mp-1112480,K2AgAsCl6,-3.587718067,-1.5073488408,0.0137373973,0.0137373973,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-Cl-K +mp-1113016,Cs2LiInF6,-4.77780371,-2.9857751954,0.0040741488,0.0040741488,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Li,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Li +mp-22091,NaZr2CoF11,-6.6903128473,-3.5868119813,0.0,-0.0117478811,GGA+U,C2/m,AB11CD2_mC30_12_a_bh2ij_c_i:Co-F-Na-Zr,15.0,"Invalid WP multiplicities - AB11CD2_mC30_12_b_a2h4i2j_c_i:Co-F-Na-Zr, expected NaZr2CoF21 to be NaZr2CoF11" +mp-1238912,Zr3CoF6,-7.069271495,-2.647242146,0.4223920919,0.4223920919,GGA+U,P-1,AB6C3_aP10_2_a_3i_bcd:Co-F-Zr,10.0,AB6C3_aP10_2_a_3i_bcd:Co-F-Zr +mp-556360,ZrCoF6,-6.799911405,-3.4092998762,0.0,-0.0258776547,GGA+U,R-3,AB6C_hR24_148_a_f_b:Co-F-Zr,8.0,AB6C_hR24_148_a_f_b:Co-F-Zr +mp-554222,ZrCoF6,-6.7797373775,-3.3891258488,0.0201740275,-0.0057036272,GGA+U,Fm-3m,AB6C_cF32_225_a_e_b:Co-F-Zr,8.0,AB6C_cF32_225_a_e_b:Co-F-Zr +mp-12337,NaLa2OsO6,-8.0246209755,-2.8144170554,0.0,-0.026387736,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Na-O-Os,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Na-O-Os +mp-1079308,SmAsRuO,-7.93537522,-2.0356762722,0.0,-0.0736528111,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:As-O-Ru-Sm,8.0,ABCD_tP8_129_c_a_b_c:As-O-Ru-Sm +mp-1113295,Cs2HgSbI6,-2.582277059,-1.0759086141,0.029092032,0.029092032,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Sb +mp-1112189,K2AlInCl6,-3.866949814,-1.8860220726,0.0678207505,0.0678207505,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-Cl-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-Cl-In-K +mp-1195547,LaTl(PSe3)2,-4.8863207735,-0.9762483604,0.0,-0.0538188981,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:La-P-Se-Tl,40.0,AB2C6D_mP40_14_e_2e_6e_e:La-P-Se-Tl +mp-1041234,CaHo(NiO3)2,-6.9298074855,-2.1469660478,0.0255895015,0.0255895015,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ca-Ho-Ni-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_31_a_a_b_4a4b:Ca-Ho-Ni-O, expected CaHo(NiO6)2 to be CaHo(NiO3)2" +mp-549127,HoBi2ClO4,-6.7223977863,-2.4850629569,0.0,-0.0550934556,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Ho-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Cl-Ho-O +mp-1207064,Ba2TbTaO6,-8.574287229,-3.5732646412,0.0,-0.0560499846,GGA,I4/m,A2B6CD_tI20_87_d_eh_a_b:Ba-O-Ta-Tb,10.0,A2B6CD_tI20_87_d_eh_a_b:Ba-O-Ta-Tb +mp-1207065,Ba2TbTaO6,-8.572202443,-3.5711798553,0.002084786,-0.0539651986,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tb +mp-510370,CsAlCuF6,-5.2911745153,-3.0457235512,0.0,-0.0052617788,GGA,Pnma,ABCD6_oP36_62_a_c_c_2c2d:Al-Cs-Cu-F,36.0,ABCD6_oP36_62_a_c_c_2c2d:Al-Cs-Cu-F +mp-1225941,CsAlCuF6,-5.2888782589,-3.0434272948,0.0022962564,-0.0029655225,GGA,Imma,ABCD6_oI36_74_a_e_c_2ej:Al-Cs-Cu-F,18.0,"Invalid WP multiplicities - ABCD6_oI36_74_a_e_c_4e2j:Al-Cs-Cu-F, expected CsAlCuF12 to be CsAlCuF6" +mp-1101759,LuFe4B,-7.7791088042,-0.2657042824,0.0,-0.0182868004,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Fe-Lu,12.0,AB4C_hP12_191_c_di_ab:B-Fe-Lu +mp-505545,Lu2FeB6,-7.0910009414,-0.6923039553,0.0,-0.0216375294,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Fe-Lu,36.0,A6BC2_oP36_55_6h_g_2g:B-Fe-Lu +mp-1222555,LuFe2Co2B,-7.3813699042,-0.3218665207,0.0080398119,0.0080398119,GGA,Cmm2,AB2C2D_oC24_35_d_2ac_cd_2b:B-Co-Fe-Lu,12.0,AB2C2D_oC24_35_d_2ac_cd_2b:B-Co-Fe-Lu +mp-4214,Lu2Fe14B,-8.0249238769,-0.1248303622,0.0,-0.0001607646,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Lu,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Lu +mp-12061,Lu(FeB)2,-7.44148038,-0.4775250837,0.0,-0.0106790301,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Fe-Lu,5.0,A2B2C_tI10_139_e_d_a:B-Fe-Lu +mp-1191710,LuFeB4,-7.2783212829,-0.6602314807,0.0,-0.0669917954,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Lu,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Lu +mp-978511,SmPa3,-8.0858342875,0.2298107412,0.2298107412,0.2298107412,GGA,Pm-3m,A3B_cP4_221_c_a:Pa-Sm,4.0,A3B_cP4_221_c_a:Pa-Sm +mp-1205602,Ba2SmPaO6,-8.459136874,-3.6840035797,0.0,-0.0673995915,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Sm +mp-1187033,SmPa,-6.867208155,0.2494172425,0.2494172425,0.2494172425,GGA,P-6m2,AB_hP2_187_a_d:Pa-Sm,2.0,AB_hP2_187_a_d:Pa-Sm +mp-1218981,SmPaO4,-9.8111859633,-4.1411850233,0.0036357208,-0.4935834399,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Sm,6.0,A4BC_tP6_123_i_a_d:O-Pa-Sm +mp-1173297,SmPaO4,-9.8148216842,-4.1448207442000005,0.0,-0.4972191607,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Sm,12.0,A4BC_tI24_141_f_a_b:O-Pa-Sm +mp-1096585,LiMg2Ir,-1.6986484225,1.7883308642,2.1431892875,2.0620270283,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Li-Mg,4.0,ABC2_oI8_71_a_b_e:Ir-Li-Mg +mp-1232420,LiMg2Ir,-3.84183771,-0.3548584233,0.0,-0.0811622592,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Mg,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Mg +mp-1188448,Li2MgIr,-3.7340425138,-0.1699025229,0.0740124629,0.0740124629,GGA,P-43m,AB2C_cP16_215_e_ade_bc:Ir-Li-Mg,16.0,AB2C_cP16_215_e_ade_bc:Ir-Li-Mg +mp-722890,Li3H6Ir,-4.0545823818,-0.5624264768,0.0,-0.2651083663,GGA,Pnma,A6BC3_oP40_62_2c2d_c_3c:H-Ir-Li,40.0,A6BC3_oP40_62_2c2d_c_3c:H-Ir-Li +mp-866640,LiMgH6Ir,-4.1533385292,-0.5195614884,0.0,-0.2121407446,GGA,P-43m,A6BCD_cP36_215_2i_e_ad_bc:H-Ir-Li-Mg,36.0,"Invalid WP multiplicities - A6BCD_cP36_215_7i_e_ad_bc:H-Ir-Li-Mg, expected LiMgH21Ir to be LiMgH6Ir" +mp-1095638,LiMgIr,-3.886306215,0.2295728172,0.5547927983000001,0.5547927983000001,GGA,P-43m,ABC_cP12_215_e_ad_bc:Ir-Li-Mg,12.0,ABC_cP12_215_e_ad_bc:Ir-Li-Mg +mp-1219483,ReSi4W,-8.08537466,-0.2347197375,0.111410649,0.111410649,GGA,P4/mmm,AB4C_tP6_123_a_gh_d:Re-Si-W,6.0,"Invalid WP multiplicities - AB4C_tP6_123_a_g2h_d:Re-Si-W, expected ReSi6W to be ReSi4W" +mp-1097495,ReMoW2,-7.2088243975,5.0927850412,5.0992458431,5.0992458431,GGA,Immm,ABC2_oI8_71_a_b_e:Mo-Re-W,4.0,ABC2_oI8_71_a_b_e:Mo-Re-W +mp-1219258,Si3Mo3W2,-9.6262302538,-0.2850846438,0.0353478326,0.0353478326,GGA,Ibam,A3B3C2_oI32_72_aj_bj_j:Mo-Si-W,16.0,A3B3C2_oI32_72_aj_bj_j:Mo-Si-W +mp-1219237,Si4MoW,-7.961062255,-0.376886845,0.0452597383,0.0452597383,GGA,P4/mmm,AB4C_tP6_123_a_gh_d:Mo-Si-W,6.0,"Invalid WP multiplicities - AB4C_tP6_123_a_g2h_d:Mo-Si-W, expected Si6MoW to be Si4MoW" +mp-1219131,Re2Si8MoW,-7.9649573175,-0.290342405,0.0938628331,0.0938628331,GGA,P4mm,AB2C8D_tP12_99_a_ab_4a4b_b:Mo-Re-Si-W,12.0,AB2C8D_tP12_99_a_ab_4a4b_b:Mo-Re-Si-W +mp-1219492,ReSi4Mo,-7.81467164,-0.3160967375,0.1061833523,0.1061833523,GGA,P4/mmm,ABC4_tP6_123_a_d_gh:Mo-Re-Si,6.0,"Invalid WP multiplicities - ABC4_tP6_123_a_d_g2h:Mo-Re-Si, expected ReSi6Mo to be ReSi4Mo" +mp-20627,YbGa5Co,-3.7968009543,-0.3984572132,0.0283790193,0.0283790193,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Yb,,AB5C_tP7_123_b_ci_a:Co-Ga-Yb +mp-1215744,YbGaCoO4,-6.7882604371,-2.2935780168,0.0172430509,0.0172430509,GGA+U,R3m,ABC4D_hR21_160_a_a_4a_a:Co-Ga-O-Yb,,ABC4D_hR21_160_a_a_4a_a:Co-Ga-O-Yb +mp-1193258,Yb2(Ga3Co)3,-4.1245800682,-0.4347919148,0.0,-0.0094933521,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Yb,,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Yb +mp-21795,Yb(Ga4Co)2,-4.0107640055,-0.3761265464,0.0,-0.0138154482,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Co-Ga-Yb,,"Invalid WP multiplicities - A2B8C_oP44_55_3g_2ad2g5h_g:Co-Ga-Yb, expected Yb2Ga17Co6 to be Yb(Ga4Co)2" +mp-1105351,HoCrTeO6,-7.7756564233,-2.5468903677,0.0,-0.0189128017,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Ho-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Ho-O-Te +mp-1212095,HoCrTeO6,-7.5264764839,-2.2977104282,0.2491799394,0.2302671378,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Ho-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Ho-O-Te +mp-8075,NaBe4SbO7,-6.9455803481,-2.7120419656,0.0,-0.0093411504,GGA,P6_3mc,A4BC7D_hP26_186_ac_b_a2c_b:Be-Na-O-Sb,26.0,"Invalid WP multiplicities - A4BC7D_hP26_186_a2c_b_a4c_b:Be-Na-O-Sb, expected NaBe7SbO13 to be NaBe4SbO7" +mp-1173658,NaBe4SbO7,-6.4741686558,-2.2406302733,0.4714116923,0.4620705419,GGA,P6_3mc,A4BC7D_hP26_186_ac_b_a2c_b:Be-Na-O-Sb,26.0,"Invalid WP multiplicities - A4BC7D_hP26_186_a2c_b_a8c_b:Be-Na-O-Sb, expected NaBe7SbO25 to be NaBe4SbO7" +mp-9574,NaBeSb,-3.2945019867,-0.2308555205,0.0483961371,0.0483961371,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Be-Na-Sb,6.0,ABC_hP6_194_c_a_d:Be-Na-Sb +mp-1100391,NaBeSb,-3.1571074267,-0.0934609605,0.1857906971,0.1857906971,GGA,F-43m,ABC_cF12_216_c_a_b:Be-Na-Sb,3.0,ABC_cF12_216_c_a_b:Be-Na-Sb +mp-1187813,YbCrTeO6,-7.1774937222,-2.286816621,0.0,-0.0720905141,GGA+U,C2/c,AB6CD_mC36_15_e_3f_e_a:Cr-O-Te-Yb,,"Invalid WP multiplicities - AB6CD_mC36_15_e_9f_e_c:Cr-O-Te-Yb, expected YbCrTeO18 to be YbCrTeO6" +mp-1207573,YbCrTeO6,-6.9357352644,-2.0450581632,0.2417584578,0.1696679437,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Yb,,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Yb +mp-1205371,Ba3InS4Cl,-5.0398961489,-2.0506800736,0.0130006222,0.0130006222,GGA,I4/mcm,A3BCD4_tI36_140_ah_c_b_l:Ba-Cl-In-S,18.0,A3BCD4_tI36_140_ah_c_b_l:Ba-Cl-In-S +mp-546033,RbNa2NiO2,-4.2114692767,-0.9949528164,0.2520188438,0.2520188438,GGA+U,I4/mmm,A2BC2D_tI12_139_d_a_e_b:Na-Ni-O-Rb,6.0,A2BC2D_tI12_139_d_a_e_b:Na-Ni-O-Rb +mp-1026522,Mg14NbCd,-2.0343474425,0.0549097762,0.0945918098,0.0945918098,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Nb, expected Mg18NbCd to be Mg14NbCd" +mp-1026512,Mg14NbCd,-2.0413470063,0.0479102125,0.0875922461,0.0875922461,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Nb, expected Mg26NbCd to be Mg14NbCd" +mp-1033335,Mg6NbCdO8,-6.2493427806,-2.4868812312,0.3631427449,0.3631427449,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cd-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cd-Mg-Nb-O, expected Mg6NbCdO12 to be Mg6NbCdO8" +mp-1033344,Mg6NbCdO8,-6.2640160075,-2.5015544581,0.348469518,0.348469518,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cd-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cd-Mg-Nb-O, expected Mg6NbCdO12 to be Mg6NbCdO8" +mp-1016569,Mg6NbCd,-2.453971365,0.1242630225,0.1760135063,0.1760135063,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Nb, expected Mg12NbCd to be Mg6NbCd" +mp-1016606,Mg6NbCd,-2.45610236,0.1221320275,0.1738825113,0.1738825113,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Nb, expected Mg12NbCd to be Mg6NbCd" +mp-1033910,Mg14NbCdO16,-6.2831520556000005,-2.7651790906,0.1868530471,0.1868530471,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cd-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cd-Mg-Nb-O, expected Mg18NbCdO20 to be Mg14NbCdO16" +mp-1033880,Mg14NbCdO16,-6.2921573197,-2.7741843547,0.1778477831,0.1778477831,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cd-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cd-Mg-Nb-O, expected Mg30NbCdO32 to be Mg14NbCdO16" +mp-1038540,Mg30NbCdO32,-6.3064518802,-2.9107232073,0.0923130112,0.0923130112,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cd-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cd-Mg-Nb-O, expected Mg90NbCdO80 to be Mg30NbCdO32" +mp-1038562,Mg30NbCdO32,-6.3114201664,-2.9156914936,0.087344725,0.087344725,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cd-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cd-Mg-Nb-O, expected Mg110NbCdO72 to be Mg30NbCdO32" +mp-1222561,Li5Ga(GeO4)2,-6.1605893534,-2.3235721187,0.0177817888,0.0177817888,GGA,P2_1,AB2C5D8_mP32_4_a_2a_5a_8a:Ga-Ge-Li-O,32.0,AB2C5D8_mP32_4_a_2a_5a_8a:Ga-Ge-Li-O +mp-8702,LiGaGeO4,-6.4639194952,-2.2715192682,0.0,-0.0107011761,GGA,R-3,ABCD4_hR126_148_f_f_f_4f:Ga-Ge-Li-O,42.0,"Invalid WP multiplicities - ABCD4_hR126_148_f_f_f_10f:Ga-Ge-Li-O, expected LiGaGeO10 to be LiGaGeO4" +mp-17685,Li3GaGeO5,-6.1636455875,-2.3525119841,0.0,-0.0070533468,GGA,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:Ga-Ge-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_3a_8a:Ga-Ge-Li-O, expected Li3GaGeO8 to be Li3GaGeO5" +mp-1191748,NaCe3GeS7,-6.20175426,-1.8100901199,0.0041149746,0.0041149746,GGA,P6_3,A3BCD7_hP24_173_c_b_a_b2c:Ce-Ge-Na-S,24.0,A3BCD7_hP24_173_c_b_a_b2c:Ce-Ge-Na-S +mp-1043781,CaTaBiO5,-8.1917514072,-2.8870876327,0.0427745767,0.0427745767,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-Ta,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-Ta, expected CaTaBiO15 to be CaTaBiO5" +mp-1042364,CaTaBiO5,-8.2070244759,-2.9023607014,0.0275015079,0.0275015079,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-Ta,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-Ta, expected CaTaBiO31 to be CaTaBiO5" +mp-1372882,Ca2TaBiO6,-7.881227156,-2.9422672772,0.0887093438,0.0887093438,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Bi-Ca-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Bi-Ca-O-Ta, expected Ca3TaBiO18 to be Ca2TaBiO6" +mp-1045157,CaTa2Bi2O9,-8.3822070036,-2.8163261606,0.0413114689,0.0224234003,GGA,P-1,A2BC9D2_aP14_2_i_a_e4i_i:Bi-Ca-O-Ta,14.0,"Invalid WP multiplicities - A2BC9D2_aP14_2_i_a_e6i_i:Bi-Ca-O-Ta, expected CaTa2Bi2O13 to be CaTa2Bi2O9" +mp-556697,CaTa2Bi2O9,-8.4235184725,-2.8576376296,0.0,-0.0188880686,GGA,Cmc2_1,A2BC9D2_oC56_36_b_a_a4b_b:Bi-Ca-O-Ta,28.0,"Invalid WP multiplicities - A2BC9D2_oC56_36_b_a_a15b_b:Bi-Ca-O-Ta, expected CaTa2Bi2O31 to be CaTa2Bi2O9" +mp-556848,CaTa2Bi2O9,-7.7442486543,-2.1783678113,0.6792698182,0.6603817496000001,GGA,I4/mmm,A2BC9D2_tI28_139_e_a_bdeg_e:Bi-Ca-O-Ta,14.0,"Invalid WP multiplicities - A2BC9D2_tI28_139_e_a_bd2e2g_e:Bi-Ca-O-Ta, expected CaTa2Bi2O15 to be CaTa2Bi2O9" +mp-29880,Sm2SCl4,-5.6360476114,-2.6406520719,0.0,-0.0501375756,GGA,C2/c,A4BC2_mC28_15_2f_e_f:Cl-S-Sm,14.0,A4BC2_mC28_15_2f_e_f:Cl-S-Sm +mp-1219229,Sm3SiS6Cl,-6.2387872832,-2.0343952563,0.028041368,0.0065764224,GGA,P2_1,AB6CD3_mP22_4_a_6a_a_3a:Cl-S-Si-Sm,22.0,"Invalid WP multiplicities - AB6CD3_mP22_4_a_11a_a_6a:Cl-S-Si-Sm, expected Sm6SiS11Cl to be Sm3SiS6Cl" +mp-556910,Sm3SiS6Cl,-6.2668286511,-2.0624366242,0.0,-0.0214649456,GGA,Pnma,AB6CD3_oP88_62_d_6c3d_2c_2c2d:Cl-S-Si-Sm,88.0,"Invalid WP multiplicities - AB6CD3_oP88_62_d_22c19d_3c_6c9d:Cl-S-Si-Sm, expected Sm24Si3(S30Cl)2 to be Sm3SiS6Cl" +mp-6274,Mn3Cr2(SiO4)3,-8.8011810325,-2.6797630604,0.027128509,0.027128509,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cr-Mn-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cr-Mn-O-Si +mp-1105779,ZnHg3(SCl2)2,-2.4152107285,-0.6314276206,0.3302341145,0.3302341145,GGA,Cmc2_1,A4B3C2D_oC40_36_2ab_ab_2a_a:Cl-Hg-S-Zn,20.0,"Invalid WP multiplicities - A4B3C2D_oC40_36_3a2b_2a2b_2a_a:Cl-Hg-S-Zn, expected ZnHg6S2Cl7 to be ZnHg3(SCl2)2" +mp-1215447,ZnHgS2,-3.140238185,-0.6811572578,0.0399132939,0.0399132939,GGA,R3m,AB2C_hR12_160_a_2a_a:Hg-S-Zn,4.0,AB2C_hR12_160_a_2a_a:Hg-S-Zn +mp-1215990,Zn6S5Cl2,-3.3595031527,-0.9027505131,0.2743274495,0.2743274495,GGA,C2,A2B5C6_mC52_5_2a2b_5c_6c:Cl-S-Zn,26.0,"Invalid WP multiplicities - A2B5C6_mC52_5_2a2b_8c_10c:Cl-S-Zn, expected Zn5S4Cl to be Zn6S5Cl2" +mp-1227542,Ce7Ti4(Se2O)6,-7.4928524069,-2.5016571603,0.0,-0.0149634559,GGA,Cm,A7B6C12D4_mC58_8_7a_6a_12a_4a:Ce-O-Se-Ti,29.0,A7B6C12D4_mC58_8_7a_6a_12a_4a:Ce-O-Se-Ti +mp-1147764,Na2Cu(ICl)2,-3.13690825,-1.2243277819,0.0932783345,0.0932783345,GGA,P4/mmm,A2BC2D2_tP7_123_ac_b_e_f:Cl-Cu-I-Na,7.0,A2BC2D2_tP7_123_ac_b_e_f:Cl-Cu-I-Na +mp-1110616,Na2TlNiF6,-4.546892073,-2.3212216511,0.2036341236,0.2036341236,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Na-Ni-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Na-Ni-Tl +mp-1111951,Cs2NaNiF6,-4.615957271,-2.5797232187,0.028489874,0.028489874,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Ni,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Ni +mp-1112159,K2ScCuCl6,-4.432745891,-2.0583765281,0.0387865153,0.0387865153,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Sc +mp-989618,Cs2RbGaF6,-4.785911789,-3.0590809246,0.0,-0.0252632287,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Rb +mp-989629,CsRb2GaF6,-4.733582546,-2.9982385115,0.049867575,0.049867575,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ga-Rb +mp-1112932,Cs2AlAuI6,-2.831651622,-1.0666055546,0.1036041162,0.1036041162,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Al-Au-Cs-I,10.0,ABC2D6_cF40_225_a_b_c_e:Al-Au-Cs-I +mp-1235400,LiAg4(RuO3)4,-6.2945561438,-1.0708884498,0.0838249089,0.0838249089,GGA,R3m,A4BC12D4_hR63_160_ab_a_4b_ab:Ag-Li-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_hR63_160_ab_a_8b_ab:Ag-Li-O-Ru, expected LiAg4(RuO6)4 to be LiAg4(RuO3)4" +mp-1235663,LiAg4(RuO3)4,-6.2321394938,-1.0084717998,0.1462415589,0.1462415589,GGA,F-43m,A4BC12D4_cF84_216_e_a_fg_e:Ag-Li-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Li-O-Ru, expected LiAg4(RuO9)4 to be LiAg4(RuO3)4" +mp-1235873,LiAg4(RuO3)4,-6.2393396971,-1.0156720031,0.1390413555,0.1390413555,GGA,F-43m,A4BC12D4_cF84_216_e_a_fg_e:Ag-Li-O-Ru,21.0,"Invalid WP multiplicities - A4BC12D4_cF84_216_e_a_3f3g_e:Ag-Li-O-Ru, expected LiAg4(RuO9)4 to be LiAg4(RuO3)4" +mp-1220707,NaZn2CdF7,-4.2910933995,-2.641524759,0.0036849223,0.0036849223,GGA,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Cd-F-Na-Zn,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e3j_c_bd:Cd-F-Na-Zn, expected NaZn2CdF17 to be NaZn2CdF7" +mp-10301,Sr2ScIrO6,-7.630422503,-2.8074202571,0.0,-0.1469377523,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:Ir-O-Sc-Sr,10.0,AB6CD2_mC20_12_a_ij_d_i:Ir-O-Sc-Sr +mp-1111324,Na2MnAgF6,-5.049167018,-2.4383174493,0.1579891868,0.1579891868,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mn-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mn-Na +mp-1106218,Sr2ScSbO6,-7.4671819085,-3.1151229566,0.0,-0.0844423659,GGA,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Sb-Sc-Sr,20.0,A6BCD2_mP20_14_3e_a_d_e:O-Sb-Sc-Sr +mp-1044788,Ba2AlCr2F11,-6.5975920154,-3.6028489346,0.0112346036,0.0112346036,GGA+U,P3_2,AB2C2D11_hP48_145_a_2a_2a_11a:Al-Ba-Cr-F,48.0,"Invalid WP multiplicities - AB2C2D11_hP48_145_a_5a_5a_31a:Al-Ba-Cr-F, expected Ba5AlCr5F31 to be Ba2AlCr2F11" +mp-1262600,AlCrF5,-6.6917554757,-3.4123243132,0.0098008993,0.0098008993,GGA+U,Immm,ABC5_oI14_71_a_b_ceg:Al-Cr-F,7.0,ABC5_oI14_71_a_b_ceg:Al-Cr-F +mp-542545,K3Nb2AsSe11,-4.9469774444,-1.0265097044,0.0,-0.0018736013,GGA,Cc,AB3C2D11_mC68_9_a_3a_2a_11a:As-K-Nb-Se,34.0,AB3C2D11_mC68_9_a_3a_2a_11a:As-K-Nb-Se +mp-1041207,CaHo(CoO3)2,-7.324299916,-2.2758222553,0.083748645,0.083748645,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Co-Ho-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_31_a_b_a_4a4b:Ca-Co-Ho-O, expected CaHo(CoO6)2 to be CaHo(CoO3)2" +mp-1103541,Lu2Ga8Co,-4.1281335445,-0.4576801795,0.0094675709,0.0094675709,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Lu,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Lu +mp-1203513,Lu6(Ga3Co)7,-4.5957753968,-0.4641888039,0.0240987495,0.0240987495,GGA,P4/mbm,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Lu,68.0,A7B21C6_tP68_127_agi_dghi3j_hi:Co-Ga-Lu +mp-1222272,LuGaCoO4,-7.5725451829,-2.6519567282,0.0182068094,0.0182068094,GGA+U,R3m,ABCD4_hR21_160_a_a_a_4a:Co-Ga-Lu-O,7.0,ABCD4_hR21_160_a_a_a_4a:Co-Ga-Lu-O +mp-1194094,Lu2(Ga3Co)3,-4.5805548593,-0.4648606716,0.0,-0.0251605495,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Lu,28.0,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Lu +mp-1206831,Lu3Ga5Co,-4.59519487,-0.6161227069,0.0,-0.0369413495,GGA,P-62m,AB5C3_hP9_189_a_dg_f:Co-Ga-Lu,9.0,AB5C3_hP9_189_a_dg_f:Co-Ga-Lu +mp-1025155,LuGa5Co,-4.2726517600000005,-0.4484019846,0.0,-0.0217357339,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Lu,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Lu +mp-31190,Lu2Ga3Co,-4.7845934687,-0.5788423183,0.0018968604,0.0018968604,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Co-Ga-Lu,24.0,AB3C2_hP24_194_f_k_bh:Co-Ga-Lu +mp-1226122,CoAg2Sn3S8,-4.7452763407,-0.6100088906000001,0.0,-6.690710000000001e-05,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Ag-Co-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Ag-Co-S-Sn, expected CoAg2Sn3S22 to be CoAg2Sn3S8" +mp-1222831,LaYb(Mo3S4)4,-7.9450709787,-1.1848504928,0.0097012015,0.0097012015,GGA,P-1,AB12C16D_aP30_2_a_6i_8i_b:La-Mo-S-Yb,,"Invalid WP multiplicities - AB12C16D_aP30_2_a_12i_15i_b:La-Mo-S-Yb, expected LaYb(Mo4S5)6 to be LaYb(Mo3S4)4" +mp-1179313,Yb(Mo3S4)2,-7.1389726273,-0.4919654357,0.6822592737000001,0.6822592737000001,GGA,P-1,A6B8C_aP15_2_3i_4i_a:Mo-S-Yb,,"Invalid WP multiplicities - A6B8C_aP15_2_6i_7i_a:Mo-S-Yb, expected Yb(Mo6S7)2 to be Yb(Mo3S4)2" +mp-2945,Yb(Mo3S4)2,-7.8041229707,-1.157115779,0.0171089303,0.0171089303,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Yb,,"Invalid WP multiplicities - A6B8C_hR45_148_f_2c2f_a:Mo-S-Yb, expected Yb(Mo3S8)2 to be Yb(Mo3S4)2" +mp-2241354,MgCr4(CuS4)2,-6.3436245387,-0.910125725,0.0825224897,0.0825224897,GGA,P1,A4B2CD8_aP15_1_4a_2a_a_8a:Cr-Cu-Mg-S,15.0,A4B2CD8_aP15_1_4a_2a_a_8a:Cr-Cu-Mg-S +mp-2224825,MgCr4(CuS4)2,-6.192708572,-0.7592097583,0.2334384563,0.2334384563,GGA,I-4m2,A4B2CD8_tI30_119_i_ac_b_2i:Cr-Cu-Mg-S,15.0,"Invalid WP multiplicities - A4B2CD8_tI30_119_i_ac_b_5i:Cr-Cu-Mg-S, expected MgCr4(CuS10)2 to be MgCr4(CuS4)2" +mp-2240859,MgCr4(CuS4)2,-6.3770539007,-0.943555087,0.0490931277,0.0490931277,GGA,R-3m,A4B2CD8_hR45_166_ad_c_b_ch:Cr-Cu-Mg-S,15.0,"Invalid WP multiplicities - A4B2CD8_hR45_166_ad_c_b_2c2h:Cr-Cu-Mg-S, expected MgCr4(CuS8)2 to be MgCr4(CuS4)2" +mp-1338560,Ca3Ge3(BiO6)2,-6.8097513594,-2.4633950594,0.0292251782,0.0292251782,GGA,Ia-3d,A2B3C3D12_cI160_230_a_c_d_h:Bi-Ca-Ge-O,80.0,A2B3C3D12_cI160_230_a_c_d_h:Bi-Ca-Ge-O +mp-1224141,HgMo6(SeS)4,-7.1676778353,-0.7738760751,0.1018341543,0.1018341543,GGA,P1,AB6C4D4_aP15_1_a_6a_4a_4a:Hg-Mo-S-Se,15.0,AB6C4D4_aP15_1_a_6a_4a_4a:Hg-Mo-S-Se +mp-35860,Hg(Mo3S4)2,-7.4515701807,-0.8869581833,0.0742862157,0.0742862157,GGA,R-3,AB6C8_hR45_148_a_f_cf:Hg-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:Hg-Mo-S +mp-1213664,Hg(MoS2)6,-4.9097617337,1.1436582362,2.2819739718,2.2819739718,GGA,P-1,AB6C12_aP19_2_a_3i_6i:Hg-Mo-S,19.0,AB6C12_aP19_2_a_3i_6i:Hg-Mo-S +mp-1047032,ZnBiAsO5,-5.9883466688,-1.6767473311,0.1025550544,0.1025550544,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Bi-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Bi-O-Zn +mp-1245806,MnGaN2,-7.0701826425,0.1455926486,0.7130888262,0.7130888262,GGA,Pmma,ABC2_oP8_51_e_a_ef:Ga-Mn-N,8.0,ABC2_oP8_51_e_a_ef:Ga-Mn-N +mp-1245398,MnGaN2,-7.5197341884,-0.3039588973,0.2635372803,0.2635372803,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ga-Mn-N,64.0,ABC2_oP64_61_2c_2c_4c:Ga-Mn-N +mp-1221727,MnGaAsN,-6.3130226475,-0.0165914864,0.4471032562,0.4471032562,GGA,P3m1,ABCD_hP4_156_a_b_a_b:As-Ga-Mn-N,4.0,ABCD_hP4_156_a_b_a_b:As-Ga-Mn-N +mp-1245881,Mn3Ga3N5,-7.3114181418,-0.1975264538,0.3578045943,0.3578045943,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ga-Mn-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ga-Mn-N +mp-1246611,Mn3(GaN2)2,-7.600932365,-0.1689081849,0.3638704586,0.3638704586,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Ga-Mn-N,18.0,A2B3C4_mC36_15_f_ef_2f:Ga-Mn-N +mp-627439,Mn3GaN,-8.139116466,-0.3689891013,0.0,-0.0705969015,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ga-Mn-N,5.0,AB3C_cP5_221_a_c_b:Ga-Mn-N +mp-1245903,MnGa2N3,-7.132614945,-0.427999593,0.1692701483,0.1692701483,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ga-Mn-N,12.0,A2BC3_oC24_36_b_a_ab:Ga-Mn-N +mp-1190786,Pr3AlCoS7,-6.3544283421,-1.8417816789,0.0507635611,0.0507635611,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Pr-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Co-Pr-S +mp-582996,Pr2Al19Co6,-5.0530335276,-0.4834905998,0.0,-0.004044475,GGA,C2/m,A19B6C2_mC108_12_g2i8j_2i2j_2i:Al-Co-Pr,54.0,"Invalid WP multiplicities - A19B6C2_mC108_12_2g4i28j_4i7j_2i:Al-Co-Pr, expected PrAl31Co9 to be Pr2Al19Co6" +mp-567156,Pr(Al4Co)2,-4.9165130641,-0.4654087018,0.0,-0.0106635919,GGA,Pbam,A8B2C_oP44_55_ad2g5h_2g_g:Al-Co-Pr,44.0,"Invalid WP multiplicities - A8B2C_oP44_55_2a2d7g19h_4g_g:Al-Co-Pr, expected Pr(Al7Co)4 to be Pr(Al4Co)2" +mp-1219821,PrAlCo4,-6.3301711333,-0.1702123392,0.0602498385,0.0602498385,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-Pr,6.0,AB4C_hP6_187_a_ck_e:Al-Co-Pr +mp-1220652,Pr4AlCo25,-6.54730562,0.1385991708,0.2153443403,0.2153443403,GGA,Cmmm,AB25C4_oC60_65_c_ae2g5h2p_2h:Al-Co-Pr,30.0,"Invalid WP multiplicities - AB25C4_oC60_65_c_a2e3g9h7p_3h:Al-Co-Pr, expected Pr6AlCo57 to be Pr4AlCo25" +mp-1188126,Pr2Al2Co15,-6.6238269658,-0.1144727503,0.0445948264,0.0445948264,GGA,R-3m,A2B15C2_hR57_166_c_dfh_c:Al-Co-Pr,19.0,A2B15C2_hR57_166_c_dfh_c:Al-Co-Pr +mp-1210690,Pr4CoS7,-6.4909300425,-1.8920058856,0.1909365842,0.1909365842,GGA,P6_3,AB4C7_hP24_173_a_bc_b2c:Co-Pr-S,24.0,AB4C7_hP24_173_a_bc_b2c:Co-Pr-S +mp-11928,Pr2AlCo2,-5.739624184,-0.234819598,0.0370221855,0.0370221855,GGA,C2/c,AB2C2_mC20_15_e_f_f:Al-Co-Pr,10.0,AB2C2_mC20_15_e_f_f:Al-Co-Pr +mp-11927,Pr2AlCo2,-5.730840056,-0.22603547,0.0458063135,0.0458063135,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Co-Pr,5.0,AB2C2_oI10_71_a_f_h:Al-Co-Pr +mp-5711,Pr7Al7Co6,-5.4746056498,-0.3578417565,0.0476914995,0.0476914995,GGA,P4/mbm,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Pr,40.0,A7B6C7_tP40_127_cgi_gj_bgj:Al-Co-Pr +mp-1106291,Pr2Al3Co14,-6.4774319221,-0.1450641258,0.074508682,0.074508682,GGA,R-3m,A3B14C2_hR57_166_d_cfh_c:Al-Co-Pr,19.0,A3B14C2_hR57_166_d_cfh_c:Al-Co-Pr +mp-975726,PrAl4Co,-4.9847600108000005,-0.5061721992,0.0,-0.0057013216,GGA,Pmma,A4BC_oP12_51_afj_e_e:Al-Co-Pr,12.0,"Invalid WP multiplicities - A4BC_oP12_51_a2fj_e_e:Al-Co-Pr, expected PrAl5Co to be PrAl4Co" +mp-1040012,LiMg30SbO32,-6.2657651927,-2.9479469994,0.0398068066,0.0398068066,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Li-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Li-Mg-O-Sb, expected LiMg90SbO80 to be LiMg30SbO32" +mp-1040035,LiMg30SbO32,-6.2651181209,-2.9472999277,0.0404538783,0.0404538783,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Li-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Li-Mg-O-Sb, expected LiMg110SbO72 to be LiMg30SbO32" +mp-1035164,LiMg14SbO16,-6.2001159875,-2.8379639817,0.0835033309,0.0835033309,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Li-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Li-Mg-O-Sb, expected LiMg18SbO20 to be LiMg14SbO16" +mp-1035140,LiMg14SbO16,-6.1975319409,-2.8353799351,0.0860873775,0.0860873775,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Li-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Li-Mg-O-Sb, expected LiMg30SbO32 to be LiMg14SbO16" +mp-1031070,LiMg6SbO8,-6.1092483731,-2.6584287421,0.1304655837,0.1304655837,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Li-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Li-Mg-O-Sb, expected LiMg6SbO12 to be LiMg6SbO8" +mp-1031131,LiMg6SbO8,-6.0695725388,-2.6187529077,0.1701414181,0.1701414181,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Li-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Li-Mg-O-Sb, expected LiMg6SbO12 to be LiMg6SbO8" +mp-22219,Fe2Cu2Ge4O13,-6.8884612945,-1.7485793695,0.0251373334,0.0251373334,GGA+U,P2_1/m,A2B2C4D13_mP42_11_f_f_4e_5e4f:Cu-Fe-Ge-O,42.0,A2B2C4D13_mP42_11_f_f_4e_5e4f:Cu-Fe-Ge-O +mp-1228699,Al4InCuS8,-5.0789111986,-1.1557117232,0.0347509334,0.0347509334,GGA,R3m,A4BCD8_hR42_160_ab_a_a_2a2b:Al-Cu-In-S,14.0,A4BCD8_hR42_160_ab_a_a_2a2b:Al-Cu-In-S +mp-1229077,AlIn(CuS2)2,-4.794146615,-0.8889625691,0.0063134563,0.0063134563,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-In-S,8.0,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-In-S +mp-555498,Ba3ErMn2O9,-7.634227766,-2.756302925,0.0,-0.0020816924,GGA+U,P6_3/mmc,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Er-Mn-O,30.0,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Er-Mn-O +mp-1084801,BaErMn2O5,-7.9650603289,-2.4601527855,0.3472001028,0.3472001028,GGA+U,P4/mmm,ABC2D5_tP9_123_b_a_h_ci:Ba-Er-Mn-O,9.0,ABC2D5_tP9_123_b_a_h_ci:Ba-Er-Mn-O +mp-1188765,BaErMn2O5,-8.3032688133,-2.79836127,0.0089916183,0.0089916183,GGA+U,P4/nmm,ABC2D5_tP18_129_a_b_2c_cj:Ba-Er-Mn-O,18.0,ABC2D5_tP18_129_a_b_2c_cj:Ba-Er-Mn-O +mp-2228450,MgMn3Cd2O8,-6.9199690521,-1.8838536853,0.0979707929,0.0979707929,GGA+U,P1,A2BC3D8_aP14_1_2a_a_3a_8a:Cd-Mg-Mn-O,14.0,A2BC3D8_aP14_1_2a_a_3a_8a:Cd-Mg-Mn-O +mp-2228910,MgMn3Cd2O8,-6.9152210707,-1.8791057038,0.1027187743,0.1027187743,GGA+U,P-1,A2BC3D8_aP14_2_i_a_ei_4i:Cd-Mg-Mn-O,14.0,"Invalid WP multiplicities - A2BC3D8_aP14_2_i_a_ei_5i:Cd-Mg-Mn-O, expected MgMn3Cd2O10 to be MgMn3Cd2O8" +mp-2228514,MgMn3Cd2O8,-6.8786892607,-1.8425738938,0.1392505843,0.1392505843,GGA+U,Cm,A2BC3D8_mC28_8_2a_a_ab_4a2b:Cd-Mg-Mn-O,14.0,A2BC3D8_mC28_8_2a_a_ab_4a2b:Cd-Mg-Mn-O +mp-2228528,MgMn3Cd2O8,-6.9340084193,-1.8978930524,0.0839314257,0.0839314257,GGA+U,C2/m,A2BC3D8_mC28_12_i_a_bh_2ij:Cd-Mg-Mn-O,14.0,A2BC3D8_mC28_12_i_a_bh_2ij:Cd-Mg-Mn-O +mp-1036086,Mg14MnCdO16,-6.3311826834,-2.8425625231,0.0387979172,0.0387979172,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cd-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cd-Mg-Mn-O, expected Mg18MnCdO20 to be Mg14MnCdO16" +mp-1036069,Mg14MnCdO16,-6.3348685769,-2.8462484165,0.0351120238,0.0351120238,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cd-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cd-Mg-Mn-O, expected Mg30MnCdO32 to be Mg14MnCdO16" +mp-1037825,Mg30MnCdO32,-6.3328803044,-2.9518280339,0.0158723359,0.0158723359,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cd-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cd-Mg-Mn-O, expected Mg110MnCdO72 to be Mg30MnCdO32" +mp-1037859,Mg30MnCdO32,-6.3314263441,-2.9503740736,0.0173262963,0.0173262963,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cd-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cd-Mg-Mn-O, expected Mg90MnCdO80 to be Mg30MnCdO32" +mp-2232822,MgMnCd6O8,-5.0851168,-1.5930453255,0.0602023869,0.0602023869,GGA+U,Fm-3m,A6BCD8_cF64_225_d_a_b_ce:Cd-Mg-Mn-O,16.0,"Invalid WP multiplicities - A6BCD8_cF64_225_d_a_b_2c3e:Cd-Mg-Mn-O, expected MgMnCd6O22 to be MgMnCd6O8" +mp-1022939,Mg6MnCd,-2.3916305869,0.0691925821,0.1209430659,0.1209430659,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Mn, expected Mg12MnCd to be Mg6MnCd" +mp-1022946,Mg6MnCd,-2.3897337800000003,0.071089389,0.1228398728,0.1228398728,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Mn, expected Mg12MnCd to be Mg6MnCd" +mp-1028084,Mg14MnCd,-1.9922100506,0.0383415589,0.0780235924,0.0780235924,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Mn, expected Mg18MnCd to be Mg14MnCd" +mp-1028080,Mg14MnCd,-1.9193529387,0.1111986708,0.1508807043,0.1508807043,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Mn, expected Mg26MnCd to be Mg14MnCd" +mp-2232894,MgMn4Cd2O8,-7.1179007067,-1.8067253448,0.1857503607,0.1857503607,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Cd-Mg-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Cd-Mg-Mn-O +mp-2233110,MgMn4Cd2O8,-7.1182892967,-1.8071139348,0.1853617707,0.1853617707,GGA+U,C2,A2BC4D8_mC30_5_ab_a_2c_4c:Cd-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_5_ab_a_2c_8c:Cd-Mg-Mn-O, expected MgMn4Cd2O16 to be MgMn4Cd2O8" +mp-2241364,MgMn4Cd2O8,-7.190917546,-1.8797421841,0.1127335213,0.1127335213,GGA+U,Cm,A2BC4D8_mC30_8_2a_a_2ab_4a2b:Cd-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_8_2a_a_2a2b_4a4b:Cd-Mg-Mn-O, expected MgMn6Cd2O12 to be MgMn4Cd2O8" +mp-1233375,MgMn9CdO10,-8.1462653414,-1.7439703628,0.2439093124,0.2439093124,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Mg-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Mg-Mn-O +mp-1233639,MgMn9CdO10,-8.2079945095,-1.8056995309,0.1821801443,0.1821801443,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Cd-Mg-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Cd-Mg-Mn-O +mp-1233110,MgMn9CdO10,-8.1038111,-1.7015161214,0.2863635538,0.2863635538,GGA+U,Cm,ABC9D10_mC42_8_a_a_a4b_2a4b:Cd-Mg-Mn-O,21.0,"Invalid WP multiplicities - ABC9D10_mC42_8_a_a_a8b_2a7b:Cd-Mg-Mn-O, expected MgMn17CdO16 to be MgMn9CdO10" +mp-1233169,MgMn9CdO10,-8.120329909,-1.7180349304,0.2698447448,0.2698447448,GGA+U,Cm,ABC9D10_mC42_8_a_a_a4b_2a4b:Cd-Mg-Mn-O,21.0,"Invalid WP multiplicities - ABC9D10_mC42_8_a_a_a8b_2a7b:Cd-Mg-Mn-O, expected MgMn17CdO16 to be MgMn9CdO10" +mp-1032689,Mg6MnCdO8,-6.3314358869,-2.6276799467,0.0810006344,0.0810006344,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cd-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cd-Mg-Mn-O, expected Mg6MnCdO12 to be Mg6MnCdO8" +mp-1032697,Mg6MnCdO8,-6.3450830681,-2.641327128,0.0673534531,0.0673534531,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cd-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cd-Mg-Mn-O, expected Mg6MnCdO12 to be Mg6MnCdO8" +mp-1110913,K2PrAgCl6,-4.201312686,-2.1087647248,0.078301693,0.078301693,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Pr +mp-1210060,Rb2CeI5,-3.6367680309,-1.7291443997,0.0,-0.0081054928,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ce-I-Rb,32.0,AB5C2_oP32_62_c_3cd_d:Ce-I-Rb +mp-1110771,Rb2NaCeI6,-3.456719927,-1.6510318577,0.0292763198,0.0292763198,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-I-Na-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-I-Na-Rb +mp-1113635,Rb2TlNiF6,-4.627931165,-2.4706589873,0.0796556365,0.0796556365,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ni-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ni-Rb-Tl +mp-1228881,CsMnCuF6,-5.4078395128,-2.5605619418,0.0087907919,0.0087907919,GGA+U,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-Mn,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-Mn, expected CsMnCuF12 to be CsMnCuF6" +mp-1041092,HoMg(FeO3)2,-7.695421978,-2.4151356173,0.0694628085,0.0694628085,GGA+U,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Fe-Ho-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a4b:Fe-Ho-Mg-O, expected HoMg(FeO6)2 to be HoMg(FeO3)2" +mp-1210770,LuTa5Ag2O15,-9.2288128972,-2.9820615343,0.0708942243,0.0708942243,GGA,P4/mbm,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Lu-O-Ta,46.0,A2BC15D5_tP46_127_g_a_dhi2j_cj:Ag-Lu-O-Ta +mp-1018025,LuAgO2,-7.0240197425,-2.712298756,0.0,-0.0131555286,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Lu-O,4.0,ABC2_hR12_166_a_b_c:Ag-Lu-O +mp-1247452,Sr3Sb3N5,-5.8279779273,-0.4517998632,0.2533422426,0.2533422426,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sb-Sr,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sb-Sr +mp-1245436,Sr3SbN3,-5.4445593521,-0.55784987,0.308086998,0.308086998,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:N-Sb-Sr,14.0,A3BC3_hP14_176_h_c_h:N-Sb-Sr +mp-1247464,Ba2SbN3,-5.9870142237,-0.4909415746,0.2949487613,0.2949487613,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ba-N-Sb,24.0,"Invalid WP multiplicities - A2B3C_oC48_64_2f_2e2f_f:Ba-N-Sb, expected Ba2SbN4 to be Ba2SbN3" +mp-1246679,Sr2SbN3,-5.9851607508,-0.5655819306000001,0.2027079376,0.2027079376,GGA,Cmce,A3BC2_oC48_64_e2f_f_2f:N-Sb-Sr,24.0,"Invalid WP multiplicities - A3BC2_oC48_64_2e2f_f_2f:N-Sb-Sr, expected Sr2SbN4 to be Sr2SbN3" +mp-1246824,Ba(SbN2)2,-6.249635532,-0.0320702292,0.4288482627,0.4288482627,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Sb,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Sb +mp-1246469,Sr3(SbN2)2,-5.6576240878,-0.4717949167,0.3079335901,0.3079335901,GGA,Pnna,A4B2C3_oP36_52_2e_cd_ce:N-Sb-Sr,36.0,A4B2C3_oP36_52_2e_cd_ce:N-Sb-Sr +mp-1013534,Sr3SbN,-3.053826614,0.452968691,1.483031114,1.3441243663,GGA,Pm-3m,ABC3_cP5_221_a_b_c:N-Sb-Sr,5.0,ABC3_cP5_221_a_b_c:N-Sb-Sr +mp-7752,Sr3SbN,-4.536857728,-1.030062423,0.0,-0.1389067477,GGA,Pm-3m,ABC3_cP5_221_b_a_c:N-Sb-Sr,5.0,ABC3_cP5_221_b_a_c:N-Sb-Sr +mp-1214517,Ba3Sr3(SbN)2,-4.5432048205,-0.9675650695,0.010450897,0.010450897,GGA,P6_3/mmc,A3B2C2D3_hP20_194_h_f_ac_g:Ba-N-Sb-Sr,20.0,A3B2C2D3_hP20_194_h_f_ac_g:Ba-N-Sb-Sr +mp-1246405,Sr(SbN2)2,-6.246691938,-0.0619097047,0.3840016105,0.3840016105,GGA,P6_3,A4B2C_hP168_173_16c_8c_a2b3c:N-Sb-Sr,168.0,A4B2C_hP168_173_16c_8c_a2b3c:N-Sb-Sr +mp-12814,Ba3SbN,-4.570453707,-0.92596951,0.0,-0.0803181042,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Ba-N-Sb,10.0,A3BC_hP10_194_h_a_c:Ba-N-Sb +mp-1013708,Ba3SbN,-3.173536556,0.470947641,1.396917151,1.3165990468,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-N-Sb,5.0,A3BC_cP5_221_c_a_b:Ba-N-Sb +mp-1013557,Ba3SbN,-4.51522533,-0.870741133,0.055228377,-0.0250897272,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-N-Sb,5.0,A3BC_cP5_221_c_b_a:Ba-N-Sb +mp-1183913,CsPdO3,-4.873876142,-0.6908060788,0.238677719,0.238677719,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Pd,5.0,AB3C_cP5_221_a_c_b:Cs-O-Pd +mp-558846,Cs2As4Pd3O14,-6.1211497029,-1.5463424963,0.0,-0.0035994841,GGA,P4/n,A4B2C14D3_tP92_85_2g_g_7g_2cdf:As-Cs-O-Pd,92.0,"Invalid WP multiplicities - A4B2C14D3_tP92_85_13g_g_52g_4c2d3f:As-Cs-O-Pd, expected Cs2As26Pd7O104 to be Cs2As4Pd3O14" +mp-6915,As2PdO6,-6.2820267556000005,-1.3733322125,0.0168001131,0.0168001131,GGA,P-31m,A2B6C_hP9_162_c_k_b:As-O-Pd,9.0,A2B6C_hP9_162_c_k_b:As-O-Pd +mp-8857,Cs2As2Pd,-3.770344957,-0.5125602842,0.0,-0.155415851,GGA,Cmcm,A2B2C_oC20_63_g_2c_a:As-Cs-Pd,10.0,A2B2C_oC20_63_g_2c_a:As-Cs-Pd +mp-1113930,Rb2InSbF6,-4.6491878920000005,-2.6181252,0.1077853727,0.1077853727,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Sb +mp-567864,TlBi(PSe3)2,-4.3299645778,-0.5294439622,0.0,-0.0151300236,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Bi-P-Se-Tl,40.0,"Invalid WP multiplicities - AB2C6D_mP40_14_e_4e_21e_e:Bi-P-Se-Tl, expected TlBiP4Se21 to be TlBi(PSe3)2" +mp-567917,TlBi(PSe3)2,-4.3290177809,-0.5284971653,0.0009467969,-0.0141832267,GGA,P2_1/c,AB2C6D_mP80_14_2e_4e_12e_2e:Bi-P-Se-Tl,80.0,"Invalid WP multiplicities - AB2C6D_mP80_14_5e_12e_42e_2e:Bi-P-Se-Tl, expected Tl2Bi5(P2Se7)6 to be TlBi(PSe3)2" +mp-552663,LiScAs2O7,-7.1199388664,-2.3757161609,0.0,-0.006410885,GGA,C2,A2BC7D_mC22_5_c_a_b3c_a:As-Li-O-Sc,11.0,"Invalid WP multiplicities - A2BC7D_mC22_5_c_a_b5c_a:As-Li-O-Sc, expected LiScAs2O11 to be LiScAs2O7" +mp-1220576,NdDyFe14B,-8.005636596,-0.0859528911,0.0,-0.002991302,GGA,P4_2/mnm,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Nd,68.0,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Nd +mp-568485,Nd23Mg4Rh7,-5.3168216534,-0.3868608817,0.0,-0.0006074249,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Rh,68.0,"Invalid WP multiplicities - A4B23C7_hP68_186_2a2c_2a2b35c_2b6c:Mg-Nd-Rh, expected Nd109(Mg2Rh5)4 to be Nd23Mg4Rh7" +mp-1209841,NdMgRh,-5.1730899367,-0.5955114858,0.0,-0.0966564115,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Nd-Rh,12.0,ABC_oP12_62_c_c_c:Mg-Nd-Rh +mp-1233249,Nd4Mg(RhO3)4,-7.5620977171,-2.3482707745,0.2236670889,0.2236670889,GGA,Pm,AB4C12D4_mP21_6_a_2a2b_2a2b4c_2c:Mg-Nd-O-Rh,21.0,"Invalid WP multiplicities - AB4C12D4_mP21_6_a_2a2b_2a2b7c_3c:Mg-Nd-O-Rh, expected Nd4Mg(RhO3)6 to be Nd4Mg(RhO3)4" +mp-1233489,Nd4Mg(RhO3)4,-7.4811923395,-2.2673653969,0.3045724665,0.3045724665,GGA,Pm,AB4C12D4_mP21_6_a_2a2b_2a2b4c_2c:Mg-Nd-O-Rh,21.0,"Invalid WP multiplicities - AB4C12D4_mP21_6_a_2a2b_2a2b7c_3c:Mg-Nd-O-Rh, expected Nd4Mg(RhO3)6 to be Nd4Mg(RhO3)4" +mp-1210030,Nd4MgRh,-5.0130436713,-0.3401807296,0.0,-0.0114531415,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Nd-Rh,24.0,AB4C_cF96_216_e_efg_e:Mg-Nd-Rh +mp-30196,ErCuP2,-5.7460024287,-0.8726198054000001,0.0,-0.0261827622,GGA,Pnma,ABC2_oP16_62_c_c_2c:Cu-Er-P,16.0,ABC2_oP16_62_c_c_2c:Cu-Er-P +mp-1225610,Er4Cu5P7,-5.5970453462,-0.8057937127,0.0497635722,0.0497635722,GGA,I-42m,A5B4C7_tI32_121_ade_i_bci:Cu-Er-P,16.0,A5B4C7_tI32_121_ade_i_bci:Cu-Er-P +mp-1212805,Er(ZnP)3,-4.1134120707,-0.601003905,0.0,-0.0068540018,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:Er-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:Er-P-Zn +mp-983583,Er2ZnCu,-3.9267523125,-0.3031553375,0.010586815,0.010586815,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Zn,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Zn +mp-1225396,ErZnCuP2,-4.91588654,-0.7652317193,0.0,-0.0290402644,GGA,P3m1,ABC2D_hP5_156_a_c_ab_b:Cu-Er-P-Zn,5.0,ABC2D_hP5_156_a_c_ab_b:Cu-Er-P-Zn +mp-1217838,TaTiSbO6,-8.9051723433,-2.9537942151000003,0.0199812961,0.0199812961,GGA,P-1,A6BCD_aP18_2_6i_i_i_i:O-Sb-Ta-Ti,18.0,"Invalid WP multiplicities - A6BCD_aP18_2_12i_i_i_i:O-Sb-Ta-Ti, expected TaTiSbO12 to be TaTiSbO6" +mp-1226910,CsNb2(SiO3)8,-8.0283154063,-2.7934272417,0.1659140631,0.1659140631,GGA,P-1,AB2C24D8_aP35_2_a_i_12i_4i:Cs-Nb-O-Si,35.0,"Invalid WP multiplicities - AB2C24D8_aP35_2_a_i_20i_6i:Cs-Nb-O-Si, expected CsNb2(Si3O10)4 to be CsNb2(SiO3)8" +mp-555696,Cs4Nb2Si8O23,-7.9897936241,-3.0989664844,0.0,-0.0392515512,GGA,P-1,A4B2C23D8_aP37_2_2i_i_a11i_4i:Cs-Nb-O-Si,37.0,"Invalid WP multiplicities - A4B2C23D8_aP37_2_3i_i_a22i_8i:Cs-Nb-O-Si, expected Cs6Nb2Si16O45 to be Cs4Nb2Si8O23" +mp-1239120,HfCrCuS4,-6.9015288661,-1.1507799179,0.1374728846,0.1296154939,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S +mp-1239132,HfCrCuS4,-6.8369412179,-1.0861922696,0.2020605329,0.1942031421,GGA,P1,ABCD4_aP56_1_8a_8a_8a_32a:Cr-Cu-Hf-S,56.0,ABCD4_aP56_1_8a_8a_8a_32a:Cr-Cu-Hf-S +mp-1239144,HfCrCuS4,-6.7873291471,-1.0365801989,0.2516726036,0.2438152129,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S +mp-1239149,HfCrCuS4,-6.7714762293,-1.0207272811,0.2675255214,0.2596681307,GGA,P1,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S,28.0,ABCD4_aP28_1_4a_4a_4a_16a:Cr-Cu-Hf-S +mp-1239150,HfCrCuS4,-6.7816675118,-1.0309185636,0.2573342389,0.2494768482,GGA,P-1,ABCD4_aP28_2_2i_2i_2i_8i:Cr-Cu-Hf-S,28.0,ABCD4_aP28_2_2i_2i_2i_8i:Cr-Cu-Hf-S +mp-1239216,HfCrCuS4,-6.96331706,-1.2125681118,0.0756846907,0.0678273,GGA,P2,ABCD4_mP14_3_ab_2c_ab_4e:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_3_bc_2a_bc_8e:Cr-Cu-Hf-S, expected HfCrCuS8 to be HfCrCuS4" +mp-1239152,HfCrCuS4,-6.852529605,-1.1017806568,0.1864721457,0.178614755,GGA,Pm,ABCD4_mP28_6_3ab_2a2b_a3b_8a8b:Cr-Cu-Hf-S,28.0,ABCD4_mP28_6_3ab_2a2b_a3b_8a8b:Cr-Cu-Hf-S +mp-1239136,HfCrCuS4,-6.9620363843,-1.2112874361,0.0769653664,0.0691079757,GGA,Cm,ABCD4_mC14_8_a_a_a_4a:Cr-Cu-Hf-S,7.0,ABCD4_mC14_8_a_a_a_4a:Cr-Cu-Hf-S +mp-1239131,HfCrCuS4,-6.9628435064000005,-1.2120945582,0.0761582443,0.0683008536,GGA,P2/m,ABCD4_mP14_10_m_ce_n_2m2n:Cr-Cu-Hf-S,14.0,ABCD4_mP14_10_m_ae_n_2m2n:Cr-Cu-Hf-S +mp-1247303,HfCrCuS4,-6.9686057457,-1.2178567975,0.070396005,0.0625386143,GGA,P2/m,ABCD4_mP7_10_b_e_c_mn:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mP7_10_c_d_b_2mn:Cr-Cu-Hf-S, expected HfCrCuS6 to be HfCrCuS4" +mp-1239233,HfCrCuS4,-6.9394808293,-1.1887318811,0.0995209214,0.0916635307,GGA,P2_1/m,ABCD4_mP14_11_e_e_e_4e:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_11_e_e_e_6e:Cr-Cu-Hf-S, expected HfCrCuS6 to be HfCrCuS4" +mp-1239210,HfCrCuS4,-7.0373364886,-1.2865875404,0.0016652621,-0.0061921286,GGA,I2_12_12_1,ABCD4_oI28_24_a_b_c_2d:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_24_a_b_c_8d:Cr-Cu-Hf-S, expected HfCrCuS16 to be HfCrCuS4" +mp-1239245,HfCrCuS4,-6.6889282086,-0.9381792604,0.3500735421,0.3422161514,GGA,Pmc2_1,ABCD4_oP28_26_2a_ab_2b_2a2b2c:Cr-Cu-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_26_2a_a2b_2b_3a3b5c:Cr-Cu-Hf-S, expected Hf2Cr2Cu3S16 to be HfCrCuS4" +mp-1224445,HfCrCuS4,-7.0390017507,-1.2882528025,0.0,-0.0078573907,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h2i:Cr-Cu-Hf-S, expected HfCrCuS8 to be HfCrCuS4" +mp-1239263,HfCrCuS4,-6.6663079921,-0.9155590439,0.3726937586,0.3648363679,GGA,Pmn2_1,ABCD4_oP28_31_2a_2a_2a_4a2b:Cr-Cu-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_31_2a_4a_2a_8a7b:Cr-Cu-Hf-S, expected HfCrCu2S11 to be HfCrCuS4" +mp-1246312,HfCrCuS4,-6.8393220246,-1.0885730764,0.1996797261,0.1918223354,GGA,Pmn2_1,ABCD4_oP28_31_2a_2a_2a_8a:Cr-Cu-Hf-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_31_2a_4a_2a_16a:Cr-Cu-Hf-S, expected HfCr(CuS4)2 to be HfCrCuS4" +mp-1239146,HfCrCuS4,-7.0388553143,-1.2881063661,0.0001464364,-0.0077109543,GGA,Ima2,ABCD4_oI28_46_a_b_b_2bc:Cr-Cu-Hf-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_46_a_b_b_3b2c:Cr-Cu-Hf-S, expected HfCrCuS7 to be HfCrCuS4" +mp-1239218,HfCrCuS4,-6.8896826604,-1.1389337121,0.1493190904,0.1414616996,GGA,Pmmn,ABCD4_oP28_59_e_ab_c_2eg:Cr-Cu-Hf-S,28.0,ABCD4_oP28_59_e_ab_c_2eg:Cr-Cu-Hf-S +mp-1239127,HfCrCuS4,-6.6589691911,-0.9082202429,0.3800325596,0.3721751689,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Cr-Cu-Hf-S,28.0,ABCD4_oP28_62_c_c_c_2cd:Cr-Cu-Hf-S +mp-1239204,HfCrCuS4,-6.8865622307,-1.1358132825,0.15243952,0.1445821293,GGA,Pnma,ABCD4_oP28_62_c_c_c_4c:Cr-Cu-Hf-S,28.0,ABCD4_oP28_62_c_c_c_4c:Cr-Cu-Hf-S +mp-1239213,HfCrCuS4,-6.7463233414,-0.9955743932,0.2926784093,0.2848210186,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Cr-Cu-Hf-S,28.0,ABCD4_oP28_62_c_c_c_2cd:Cr-Cu-Hf-S +mp-1213058,Er2Mn17C3,-8.8494999289,-0.0960592897,0.0099582411,0.0099582411,GGA,P6_3/mmc,A3B2C17_hP44_194_h_bc_fgjk:C-Er-Mn,44.0,A3B2C17_hP44_194_h_bc_fgjk:C-Er-Mn +mp-9267,Er2MnC4,-8.1663026893,-0.2788577061,0.017098084,0.017098084,GGA,Ibam,A4B2C_oI28_72_2j_j_a:C-Er-Mn,14.0,A4B2C_oI28_72_2j_j_a:C-Er-Mn +mp-1206340,ErMn2SiC,-8.018906322,-0.5097597387,0.0,-0.0603872526,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Er-Mn-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Er-Mn-Si +mp-1213203,Er12(MnC3)5,-7.8442529078,-0.3738565151,0.0,-0.0373574921,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Mn,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Mn +mp-1198824,Er10Mn13C18,-8.4046877983,-0.3339715602,0.0,-0.0652570469,GGA,I-43m,A18B10C13_cI82_217_eg_cd_ag:C-Er-Mn,41.0,A18B10C13_cI82_217_eg_cd_ag:C-Er-Mn +mp-1071877,UCu4Pd,-5.5570922817,-0.0790725317,0.041209451,0.041209451,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Pd-U,6.0,A4BC_cF24_216_e_a_c:Cu-Pd-U +mp-1217741,ThU4(Cu4Pd)5,-5.477494158,-0.1287261333,0.0461516854,0.0461516854,GGA,R3m,A20B5CD4_hR90_160_5a5b_5a_a_4a:Cu-Pd-Th-U,30.0,"Invalid WP multiplicities - A20B5CD4_hR90_160_5a15b_5a_a_4a:Cu-Pd-Th-U, expected ThU4(Cu10Pd)5 to be ThU4(Cu4Pd)5" +mp-1216729,UCu3Pd2,-5.7937954667,-0.1356631933,0.1049007719,0.1049007719,GGA,Imm2,A3B2C_oI12_44_ac_d_b:Cu-Pd-U,6.0,A3B2C_oI12_44_ac_d_b:Cu-Pd-U +mp-2218665,MgNi4(SbS)4,-4.8555705692,-0.4107527848,0.2822105148,0.2822105148,GGA,R3,AB4C4D4_hR39_146_a_ab_ab_ab:Mg-Ni-S-Sb,13.0,"Invalid WP multiplicities - AB4C4D4_hR39_146_a_a2b_a2b_a2b:Mg-Ni-S-Sb, expected MgNi7(SbS)7 to be MgNi4(SbS)4" +mp-2226843,MgNi4(SbS)4,-4.8035138754,-0.358696091,0.3342672087,0.3342672087,GGA,R3,AB4C4D4_hR39_146_a_ab_ab_ab:Mg-Ni-S-Sb,13.0,"Invalid WP multiplicities - AB4C4D4_hR39_146_a_a2b_a2b_a2b:Mg-Ni-S-Sb, expected MgNi7(SbS)7 to be MgNi4(SbS)4" +mp-1246723,SmMgCrS4,-6.2211223693,-1.5757347804,0.1121166505,0.1121166505,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-S-Sm,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Cr-Mg-S-Sm, expected SmMgCrS12 to be SmMgCrS4" +mp-1247295,Sm3Mg2CrS8,-6.1173748771,-1.8244488121,0.1045910408,0.1045910408,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Mg-S-Sm,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Cr-Mg-S-Sm, expected Sm3Mg2CrS22 to be Sm3Mg2CrS8" +mp-1247128,SmMg2Cr3S8,-6.3698792171,-1.3720301043,0.0746329046,0.0746329046,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-Sm,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-Sm, expected SmMg2Cr3S16 to be SmMg2Cr3S8" +mp-674849,TlBiF4,-4.8432689367,-2.5350942456,0.0017008186,0.0017008186,GGA,P2_1/m,AB4C_mP12_11_e_4e_e:Bi-F-Tl,12.0,"Invalid WP multiplicities - AB4C_mP12_11_e_8e_e:Bi-F-Tl, expected TlBiF8 to be TlBiF4" +mp-1216759,TlBiF4,-4.8149147667,-2.5067400756,0.0300549886,0.0300549886,GGA,Pmc2_1,AB4C_oP12_26_a_2a2b_b:Bi-F-Tl,12.0,AB4C_oP12_26_a_2a2b_b:Bi-F-Tl +mp-1216550,TlBiF4,-4.8349028717,-2.5267281806,0.0100668836,0.0100668836,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Bi-F-Tl,6.0,AB4C_tP6_123_a_i_d:Bi-F-Tl +mp-1100999,TlBiF4,-4.8062410342,-2.4980663431,0.0387287211,0.0387287211,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Bi-F-Tl,12.0,AB4C_tI24_141_a_f_b:Bi-F-Tl +mp-557664,Cs2TlBiF6,-4.670731291,-2.7244502084,0.0,-0.0277357908,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-Tl +mp-1208058,TlBi3F10,-5.0567126929,-2.6996483920000003,0.0,-0.0182919443,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Bi-F-Tl,28.0,A3B10C_cF112_225_e_fh_c:Bi-F-Tl +mp-542296,Cs4Mn2PdF12,-5.3834742663,-2.7506706088,0.0096275953,0.0096275953,GGA+U,I4_1/amd,A4B12C2D_tI76_141_f_2e2h_e_a:Cs-F-Mn-Pd,38.0,A4B12C2D_tI76_141_f_2e2h_e_a:Cs-F-Mn-Pd +mp-7394,BaAg2GeS4,-4.6149901287,-1.0208758451,0.0,-0.0393836802,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-Ba-Ge-S,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-Ba-Ge-S +mp-505615,Sr3EuRhO6,-7.5035466041,-2.742644577,0.0,-0.036199778,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Eu-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Eu-O-Rh-Sr +mp-19801,EuRhO3,-8.7051008885,-2.2128257277,0.0,-0.0713291754,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-Rh,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c4d_a:Eu-O-Rh, expected EuRhO11 to be EuRhO3" +mp-1113736,Rb2LiCoF6,-4.9671139,-2.7223956388,0.0,-0.0096877928,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Li-Rb +mp-1220497,NbV(Cu3Se4)2,-5.2197313787,-0.7354974443000001,0.0017372694,0.0017372694,GGA,P-42m,A6BC8D_tP16_111_efg_a_2n_c:Cu-Nb-Se-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_111_2e2fg_a_6n_c:Cu-Nb-Se-V, expected NbV(Cu5Se12)2 to be NbV(Cu3Se4)2" +mp-1211202,LiCr2(MoO4)3,-8.38282307,-2.0988101438,0.0550059867,0.0550059867,GGA+U,P-1,A2BC3D12_aP36_2_2i_i_3i_12i:Cr-Li-Mo-O,36.0,A2BC3D12_aP36_2_2i_i_3i_12i:Cr-Li-Mo-O +mp-1191696,LiCr(MoO4)2,-8.199573966300001,-2.1306756124,0.0161503737,0.0161503737,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Cr-Li-Mo-O,24.0,ABC2D8_aP24_2_i_i_2i_8i:Cr-Li-Mo-O +mp-504891,La3MnGaS7,-6.5921187633,-1.9293452885,0.0,-0.0260764306,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Ga-La-Mn-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Ga-La-Mn-S +mp-727198,LiCdMoO5,-6.5473205075,-1.7459572209,0.1026197054,0.1026197054,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Cd-Li-Mo-O,32.0,ABCD5_mP32_14_e_e_e_5e:Cd-Li-Mo-O +mp-1213573,LiCdMoO5,-6.2312736903,-1.4299104037,0.4186665226,0.4186665226,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Cd-Li-Mo-O,32.0,ABCD5_mP32_14_e_e_e_5e:Cd-Li-Mo-O +mp-2222865,MgHg(SbO3)2,-5.753213079,-1.7690035627,0.2363239025,0.2363239025,GGA,Cm,ABC6D2_mC20_8_a_a_2a2b_b:Hg-Mg-O-Sb,10.0,"Invalid WP multiplicities - ABC6D2_mC20_8_a_a_2a3b_b:Hg-Mg-O-Sb, expected MgHg(SbO4)2 to be MgHg(SbO3)2" +mp-2217494,MgHg(SbO3)2,-5.648764008,-1.6645544917,0.3407729735,0.3407729735,GGA,P312,ABC6D2_hP10_149_c_a_l_bf:Hg-Mg-O-Sb,10.0,ABC6D2_hP10_149_c_a_l_bf:Hg-Mg-O-Sb +mp-2224846,MgHg(SbO3)2,-5.823147588,-1.8389380717,0.1663893935,0.1663893935,GGA,P-31m,ABC6D2_hP10_162_b_a_k_c:Hg-Mg-O-Sb,10.0,ABC6D2_hP10_162_b_a_k_c:Hg-Mg-O-Sb +mp-2230585,MgHg2(SbO3)4,-5.6642072526,-1.5545277645,0.2691749176,0.2691749176,GGA,P2,A2BC12D4_mP19_3_bc_a_6e_2b2c:Hg-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_3_ab_c_11e_2a2b:Hg-Mg-O-Sb, expected MgHg2(Sb2O11)2 to be MgHg2(SbO3)4" +mp-2231280,MgHg2(SbO3)4,-5.64497856,-1.5352990718,0.2884036103,0.2884036103,GGA,Amm2,A2BC12D4_oC38_38_ab_a_2b2cdf_2c:Hg-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_oC38_38_ab_a_2b2cd2f_2c:Hg-Mg-O-Sb, expected MgHg2(SbO4)4 to be MgHg2(SbO3)4" +mp-2230280,MgHg2(SbO3)4,-5.6429412989,-1.5332618108,0.2904408713,0.2904408713,GGA,P-4,A2BC12D4_tP19_81_g_a_3h_2g:Hg-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_tP19_81_g_a_10h_4g:Hg-Mg-O-Sb, expected MgHg2(SbO5)8 to be MgHg2(SbO3)4" +mp-561911,Ca3Co(SeO3)4,-6.4050933212,-2.0816419272,0.0,-0.0217816357,GGA+U,I4_1/a,A3BC12D4_tI80_88_ae_b_3f_f:Ca-Co-O-Se,40.0,"Invalid WP multiplicities - A3BC12D4_tI80_88_2a2e_b_20f_f:Ca-Co-O-Se, expected Ca6Co(SeO20)4 to be Ca3Co(SeO3)4" +mp-1225400,Dy6Al2SiS14,-6.2611830552,-1.9799878871,0.0,-0.0026166893,GGA,P3,A2B6C14D_hP23_143_ac_2d_ab4d_b:Al-Dy-S-Si,23.0,A2B6C14D_hP23_143_ac_2d_ab4d_b:Al-Dy-S-Si +mp-1219063,SmGd3Al4O12,-9.756880112,-3.6924040765,0.0069338212,0.0069338212,GGA,Pm,A4B3C12D_mP20_6_2c_a2b_2a2b4c_a:Al-Gd-O-Sm,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_6_4c_a2b_2a2b8c_a:Al-Gd-O-Sm, expected SmGd3Al8O20 to be SmGd3Al4O12" +mp-1235196,LiAl2(CuO3)2,-6.3353274909,-2.0372711151,0.2527308493,0.2527308493,GGA,P3m1,A2B2CD6_hP11_156_2a_bc_a_2a2b2c:Al-Cu-Li-O,11.0,A2B2CD6_hP11_156_2a_bc_a_2a2b2c:Al-Cu-Li-O +mp-1235624,LiAl2(CuO3)2,-6.3596757945,-2.0616194187,0.2283825457,0.2283825457,GGA,P3m1,A2B2CD6_hP11_156_2b_ac_a_2a2b2c:Al-Cu-Li-O,11.0,A2B2CD6_hP11_156_2b_ac_a_2a2b2c:Al-Cu-Li-O +mp-1113138,Cs2ScInF6,-5.553505846,-3.3191227076,0.0019325533,0.0019325533,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Sc +mp-1114167,Rb2TlSbI6,-2.83292949,-1.1036384268,0.0504244825,0.0504244825,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-Rb-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:I-Rb-Sb-Tl +mp-1098700,KLaAu2,-2.33310413,0.815438383,1.4198353705,1.4198353705,GGA,Immm,A2BC_oI8_71_e_a_b:Au-K-La,4.0,A2BC_oI8_71_e_a_b:Au-K-La +mp-1112425,K2LaAuCl6,-4.162569153,-2.0103784571,0.1789007726,0.1789007726,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-La,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-La +mp-1113063,Cs2YInBr6,-4.047127835,-2.0144148783,0.0062275385,0.0062275385,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-In-Y +mp-1113896,Rb2ScInF6,-5.547572614,-3.2961631355,0.0373323037,0.0373323037,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Sc +mp-1113549,Rb2GaHgI6,-2.452062869,-1.0387586058,0.0729333308,0.0729333308,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ga-Hg-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ga-Hg-I-Rb +mp-1022095,Mg6VCu,-2.6717170856,0.1763820444,0.2302139464,0.2302139464,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-V, expected Mg12VCu to be Mg6VCu" +mp-1022131,Mg6VCu,-2.6705478462,0.1775512838,0.2313831858,0.2313831858,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-V, expected Mg12VCu to be Mg6VCu" +mp-1180276,MgVCu3Se4,-4.7265811367,-0.6193086877,0.2106613972,0.2106613972,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-V +mp-1027824,Mg14VCu,-2.1309899319,0.0931996581,0.1294165924,0.1294165924,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-V, expected Mg18VCu to be Mg14VCu" +mp-1027820,Mg14VCu,-2.1295844062,0.0946051838,0.1308221181,0.1308221181,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-V, expected Mg26VCu to be Mg14VCu" +mp-1111331,Na2FeAgF6,-4.937177946,-2.3955277855,0.1392196009,0.1392196009,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-Na +mp-1113141,Cs2TlHgF6,-3.942893123,-2.3502929169,0.03414836,0.03414836,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Tl +mp-1079560,Nb2CrB2,-9.269982872,-0.6270946537000001,0.0,-0.011383632,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Cr-Nb,10.0,A2BC2_tP10_127_g_a_h:B-Cr-Nb +mp-1220514,Nb5Cr(B2Ru5)2,-9.3861991,-0.4051408423,0.0046340892,0.0046340892,GGA,P4/m,A4BC5D10_tP20_83_j_a_cj_f2k:B-Cr-Nb-Ru,20.0,"Invalid WP multiplicities - A4BC5D10_tP20_83_j_a_cj_f4k:B-Cr-Nb-Ru, expected Nb5Cr(B2Ru9)2 to be Nb5Cr(B2Ru5)2" +mp-1093780,Nb2CrRu,-5.86856559,3.9139494325,4.05516385,4.05516385,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Nb-Ru,4.0,AB2C_oI8_71_a_e_b:Cr-Nb-Ru +mp-1186200,Nb2CrRu,-9.91903703,-0.1365220075,0.00469241,0.00469241,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Nb-Ru,4.0,AB2C_cF16_225_a_c_b:Cr-Nb-Ru +mp-1111272,Na2CuSbF6,-4.539367706,-2.3051544758,0.2881953417,0.2881953417,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Sb +mp-1112503,Cs2TlAsF6,-4.619546377,-2.5914023669,0.0050429527,0.0050429527,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-Tl +mp-568540,Ag5Hg4P8Cl5,-3.4810780923,-0.3935051455,0.0,-0.0027307498,GGA,C2/m,A5B5C4D8_mC44_12_agi_cj_j_2ij:Ag-Cl-Hg-P,22.0,"Invalid WP multiplicities - A5B5C4D8_mC44_12_a2gi_cj_j_4i3j:Ag-Cl-Hg-P, expected Ag7Hg4(P4Cl)5 to be Ag5Hg4P8Cl5" +mp-1194038,Na(GaAu2)2,-3.2093781121,-0.2844859209,0.010743825,0.010743825,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:Au-Ga-Na,28.0,A4B2C_mP28_14_4e_2e_e:Au-Ga-Na +mp-1111305,Na2GaAuF6,-4.371983575,-2.3303933336,0.2817902637,0.2817902637,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-Na +mp-18199,Sr3TaAs3O,-6.0355173769,-1.5542296373,0.0,-0.0766227173,GGA,Pnma,A3BC3D_oP32_62_cd_c_cd_c:As-O-Sr-Ta,32.0,"Invalid WP multiplicities - A3BC3D_oP32_62_cd_c_c2d_c:As-O-Sr-Ta, expected Sr5TaAs3O to be Sr3TaAs3O" +mp-1235591,LiYbNbO3,-6.88769578,-2.1560453933,0.8454170400000001,0.8454170400000001,GGA,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Li-Nb-O-Yb,,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_c2e_a:Li-Nb-O-Yb, expected LiYbNbO5 to be LiYbNbO3" +mp-1236519,LiYbNbO3,-7.268825055,-2.5371746683,0.464287765,0.464287765,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Li-Nb-O-Yb,,ABC3D_hR18_160_a_a_b_a:Li-Nb-O-Yb +mp-1205650,Ba2TaTlO6,-7.591215664,-2.8173653716,0.0,-0.0159374022,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Tl +mp-1227947,BaBeSi,-3.8226645633,-0.1280959517,0.1292238933,0.1292238933,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Be-Si,3.0,ABC_hP3_187_b_c_e:Ba-Be-Si +mp-12797,BaBe2Si2O7,-7.8803395637,-3.3074014214,0.0,-0.0315729104,GGA,Pmn2_1,AB2C7D2_oP24_31_a_b_a3b_b:Ba-Be-O-Si,24.0,AB2C7D2_oP24_31_a_b_a3b_b:Ba-Be-O-Si +mp-6383,BaBe2Si2O7,-7.8799804235,-3.3070422811,0.0003591402,-0.0312137702,GGA,Pnma,AB2C7D2_oP48_62_c_d_c3d_d:Ba-Be-O-Si,48.0,"Invalid WP multiplicities - AB2C7D2_oP48_62_c_d_4c20d_d:Ba-Be-O-Si, expected BaBe2(SiO22)2 to be BaBe2Si2O7" +mp-550751,BaBeSiO4,-7.7354078514,-3.32534204,0.0,-0.0066467814,GGA,Cm,ABC4D_mC14_8_a_a_2ab_a:Ba-Be-O-Si,7.0,"Invalid WP multiplicities - ABC4D_mC14_8_a_a_2a2b_a:Ba-Be-O-Si, expected BaBeSiO6 to be BaBeSiO4" +mp-641281,Na4Pu(MoO4)4,-7.9537945468,-2.2702921738,0.023624472,0.023624472,GGA+U,I4_1/a,A4B4C16D_tI100_88_f_f_4f_a:Mo-Na-O-Pu,50.0,"Invalid WP multiplicities - A4B4C16D_tI100_88_f_f_21f_a:Mo-Na-O-Pu, expected Na4Pu(MoO21)4 to be Na4Pu(MoO4)4" +mp-976952,NaPuO3,-9.013162424,-2.9270764726,0.0,-0.2133763673,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Pu,5.0,AB3C_cP5_221_a_c_b:Na-O-Pu +mp-1210278,Pu(MoO4)2,-9.1073885918,-2.2407842064,0.1552202784,0.1552202784,GGA+U,Pbca,A2B8C_oP88_61_2c_8c_c:Mo-O-Pu,88.0,A2B8C_oP88_61_2c_8c_c:Mo-O-Pu +mp-1190744,Ba3GdInS6,-6.3667388445,-2.0573361181,0.0020640379,0.0020640379,GGA,R-3c,A3BCD6_hR66_167_e_a_b_f:Ba-Gd-In-S,22.0,A3BCD6_hR66_167_e_a_b_f:Ba-Gd-In-S +mp-1201973,Gd3InS6,-8.9724056645,-1.9925306994,0.0022734598,0.0022734598,GGA,P2_12_12,A3BC6_oP40_18_3c_ab_6c:Gd-In-S,40.0,A3BC6_oP40_18_3c_ab_6c:Gd-In-S +mp-1200532,Gd3InS6,-8.9741097205,-1.9942347554,0.0005694038,0.0005694038,GGA,Pnnm,A3BC6_oP40_58_3g_ac_6g:Gd-In-S,40.0,A3BC6_oP40_58_3g_ac_6g:Gd-In-S +mp-1194446,Na5AgGe2S7,-4.2213065553,-1.0448807388,0.0,-0.007281134,GGA,C2/c,AB2C5D7_mC60_15_e_f_a2f_e3f:Ag-Ge-Na-S,30.0,AB2C5D7_mC60_15_e_f_c2f_e3f:Ag-Ge-Na-S +mp-16992,NaAg3S2,-3.5304825875,-0.5149670813,0.0,-0.01874621,GGA,Fd-3m,A3BC2_cF96_227_f_c_e:Ag-Na-S,24.0,A3BC2_cF96_227_f_c_e:Ag-Na-S +mp-9634,Na3AgS2,-3.5457702825,-1.0335983463,0.0,-0.0410088844,GGA,Ibam,AB3C2_oI24_72_c_bf_j:Ag-Na-S,12.0,AB3C2_oI24_72_c_bf_j:Ag-Na-S +mp-1095370,BiPdSe,-4.7194564792,-0.5473623399,0.0,-0.0070226118,GGA,P2_13,ABC_cP12_198_a_a_a:Bi-Pd-Se,12.0,ABC_cP12_198_a_a_a:Bi-Pd-Se +mp-1227421,BiPd6Se,-5.032335155,-0.2303737215,0.0614161011,0.0614161011,GGA,R-3m,AB6C_hR24_166_a_3c_b:Bi-Pd-Se,8.0,"Invalid WP multiplicities - AB6C_hR24_166_a_4c_b:Bi-Pd-Se, expected BiPd8Se to be BiPd6Se" +mp-1103697,Bi2Pd3Se2,-4.8310443057,-0.5149804992,0.0,-0.017467342,GGA,C2/m,A2B3C2_mC28_12_2i_egi_j:Bi-Pd-Se,14.0,A2B3C2_mC28_12_2i_ehi_j:Bi-Pd-Se +mp-1201497,Bi2Pd(SeO3)4,-5.8819652458,-1.3448720608,0.0045353636,0.0045353636,GGA,P2_1/c,A2B12CD4_mP38_14_e_6e_a_2e:Bi-O-Pd-Se,38.0,A2B12CD4_mP38_14_e_6e_a_2e:Bi-O-Pd-Se +mp-1366540,Ca2TaMoO6,-8.724915427,-3.0854394502,0.0,-0.0111214562,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Mo-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Ca-Mo-O-Ta, expected Ca3TaMoO18 to be Ca2TaMoO6" +mp-16338,GaSi(MoS2)4,-6.7751055521,-0.7088474502000001,0.3747429691,0.3747429691,GGA,F-43m,AB4C8D_cF56_216_a_e_2e_c:Ga-Mo-S-Si,14.0,AB4C8D_cF56_216_a_e_2e_c:Ga-Mo-S-Si +mp-1224841,Ga2Si4Mo3,-7.03101213,-0.3316327417,0.0511924076,0.0511924076,GGA,C2,A2B3C4_mC18_5_c_ac_2ac:Ga-Mo-Si,,A2B3C4_mC18_5_c_ac_2ac:Ga-Mo-Si +mp-1033256,Mg6CdBiO8,-5.71501206,-2.343851505,0.29174868,0.29174868,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Cd-Mg-O, expected Mg6CdBiO12 to be Mg6CdBiO8" +mp-1033259,Mg6CdBiO8,-5.6710723575,-2.2999118025,0.3356883825,0.3356883825,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Cd-Mg-O, expected Mg6CdBiO12 to be Mg6CdBiO8" +mp-1026450,Mg14CdBi,-1.7149241794,-0.016967955,0.0539687411,0.0539687411,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Cd-Mg, expected Mg18CdBi to be Mg14CdBi" +mp-1026441,Mg14CdBi,-1.7307765844,-0.03282036,0.0381163361,0.0381163361,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Cd-Mg, expected Mg26CdBi to be Mg14CdBi" +mp-2240397,MgCd2(BiO3)2,-5.4136420936,-1.7038993575,0.10346562,0.10346562,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Cd-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Cd-Mg-O +mp-2224191,MgCd2(BiO3)2,-5.3799209236,-1.6701781875,0.13718679,0.13718679,GGA,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Bi-Cd-Mg-O,11.0,A2B2CD6_hR33_146_2a_2a_a_2b:Bi-Cd-Mg-O +mp-2240086,MgCd2(BiO3)2,-5.4270856509,-1.7173429148,0.0900220627,0.0900220627,GGA,R-3,A2B2CD6_hR33_148_c_c_a_f:Bi-Cd-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Bi-Cd-Mg-O +mp-1033776,Mg14CdBiO16,-5.9790772844,-2.6567548166,0.1880654256,0.1880654256,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Cd-Mg-O, expected Mg18CdBiO20 to be Mg14CdBiO16" +mp-1033762,Mg14CdBiO16,-5.9909264825,-2.6686040147,0.1762162275,0.1762162275,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Cd-Mg-O, expected Mg30CdBiO32 to be Mg14CdBiO16" +mp-1038488,Mg30CdBiO32,-6.1564990883,-2.8585956641,0.0908346067,0.0908346067,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Cd-Mg-O, expected Mg110CdBiO72 to be Mg30CdBiO32" +mp-1038490,Mg30CdBiO32,-6.1511499812,-2.8532465570000003,0.0961837138,0.0961837138,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Cd-Mg-O, expected Mg90CdBiO80 to be Mg30CdBiO32" +mp-1017184,Mg6CdBi,-1.8424581662,-0.0468257675,0.0674340413,0.0674340413,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Cd-Mg, expected Mg12CdBi to be Mg6CdBi" +mp-1017180,Mg6CdBi,-1.8345690169,-0.0389366181,0.0753231906,0.0753231906,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Cd-Mg, expected Mg12CdBi to be Mg6CdBi" +mp-1097498,Mg2CdSn,-0.95737157,1.0758838588,1.216302925,1.216302925,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Sn,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Sn +mp-685363,Cd18Sn19O56,-5.7066750977,-1.7302401649,0.1241594812,0.1241594812,GGA,P1,A18B56C19_aP93_1_18a_56a_19a:Cd-O-Sn,93.0,A18B56C19_aP93_1_18a_56a_19a:Cd-O-Sn +mp-1182642,CdSnO3,-5.720829872,-1.7663243222,0.079610972,0.06889354,GGA,P2_1/m,AB3C_mP10_11_e_3e_e:Cd-O-Sn,10.0,"Invalid WP multiplicities - AB3C_mP10_11_e_6e_e:Cd-O-Sn, expected CdSnO6 to be CdSnO3" +mp-849371,CdSnO3,-5.7700575915000005,-1.8155520418,0.0303832525,0.0196658205,GGA,Pnma,AB3C_oP20_62_c_cd_a:Cd-O-Sn,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Cd-O-Sn, expected CdSnO7 to be CdSnO3" +mp-754329,CdSnO3,-5.800440844,-1.8459352942,0.0,-0.010717432,GGA,R-3,AB3C_hR30_148_c_f_c:Cd-O-Sn,10.0,AB3C_hR30_148_c_f_c:Cd-O-Sn +mp-1016881,CdSnO3,-5.454133626,-1.4996280763,0.346307218,0.335589786,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Sn,5.0,AB3C_cP5_221_a_c_b:Cd-O-Sn +mp-1095700,Mg30CdSnO32,-6.1909996319,-2.8904542901,0.0741192894,0.0741192894,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Sn, expected Mg90CdSnO80 to be Mg30CdSnO32" +mp-1095703,Mg30CdSnO32,-6.195042592,-2.8944972502,0.0700763292,0.0700763292,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Sn, expected Mg110CdSnO72 to be Mg30CdSnO32" +mp-5966,Cd2SnO4,-5.3813277486,-1.7181697171,0.0,-0.0095451614,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Cd-O-Sn,14.0,A2B4C_oP14_55_g_gh_b:Cd-O-Sn +mp-675857,Cd2SnO4,-5.3809900521,-1.7178320207,0.0003376964,-0.009207465,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Cd-O-Sn,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_a2e_2hi_c:Cd-O-Sn, expected Cd3SnO6 to be Cd2SnO4" +mp-1104726,Cd2SnO4,-5.2839818771,-1.6208238457,0.0973458714,0.08780071,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cd-O-Sn,14.0,A2B4C_cF56_227_c_e_b:Cd-O-Sn +mp-1026575,Mg14CdSn,-1.7442093894,-0.0356854947,0.0356496075,0.0356496075,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Sn, expected Mg18CdSn to be Mg14CdSn" +mp-1026584,Mg14CdSn,-1.7554518756,-0.0469279809,0.0244071213,0.0244071213,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Sn, expected Mg26CdSn to be Mg14CdSn" +mp-1034325,Mg14CdSnO16,-6.0472659216,-2.7196596186,0.1554472409,0.1554472409,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Sn, expected Mg18CdSnO20 to be Mg14CdSnO16" +mp-1034307,Mg14CdSnO16,-6.0577610587,-2.7301547558,0.1449521037,0.1449521037,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Sn, expected Mg30CdSnO32 to be Mg14CdSnO16" +mp-1031523,Mg6CdSnO8,-5.8295664869,-2.4478382616,0.2483351581,0.2483351581,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Sn, expected Mg6CdSnO12 to be Mg6CdSnO8" +mp-1031564,Mg6CdSnO8,-5.7871946956,-2.4054664703,0.2907069494,0.2907069494,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Sn, expected Mg6CdSnO12 to be Mg6CdSnO8" +mp-1021380,Mg6CdSn,-1.869768695,-0.0530009556,0.0620556654,0.0620556654,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Sn, expected Mg12CdSn to be Mg6CdSn" +mp-1099299,Mg6CdSn,-1.871714485,-0.0549467456,0.0601098754,0.0601098754,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Sn,8.0,AB6C_oC16_38_a_abde_b:Cd-Mg-Sn +mp-775826,Fe3Co7O20,-6.8868087687,-1.083406688,0.1007100092,0.1007100092,GGA+U,P2/m,A7B3C20_mP30_10_bm2n_cm_5m5n:Co-Fe-O,30.0,"Invalid WP multiplicities - A7B3C20_mP30_10_b2m3n_c2m_10m10n:Co-Fe-O, expected Fe5Co11O40 to be Fe3Co7O20" +mp-755732,FeCoO4,-7.0128040933,-1.118621785,0.1338079343,0.1338079343,GGA+U,P2/m,ABC4_mP6_10_a_e_mn:Co-Fe-O,6.0,ABC4_mP6_10_c_e_mn:Co-Fe-O +mp-761526,FeCoO4,-7.02265521,-1.1284729017,0.1239568176,0.1239568176,GGA+U,P2/c,ABC4_mP12_13_e_f_2g:Co-Fe-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_5g:Co-Fe-O, expected FeCoO10 to be FeCoO4" +mp-34501,Fe2CoO4,-7.75421484,-1.4920555457,0.0949883339,0.0949883339,GGA+U,Imma,AB2C4_oI28_74_a_ce_hi:Co-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_4h3i:Co-Fe-O, expected Fe2CoO14 to be Fe2CoO4" +mp-691111,Fe2CoO4,-7.7769280262,-1.5147687319,0.0722751477,0.0722751477,GGA+U,C2,AB2C4_mC84_5_ab2c_6c_12c:Co-Fe-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_154_2a2b_11c_22c:Co-Fe-O, expected Fe11(CoO11)2 to be Fe2CoO4" +mp-685218,Fe2CoO4,-7.769045072,-1.5068857777,0.0801581019,0.0801581019,GGA+U,Cm,AB2C4_mC168_8_12a_12a6b_24a12b:Co-Fe-O,84.0,"Invalid WP multiplicities - AB2C4_mC168_8_12a_12a11b_24a22b:Co-Fe-O, expected Fe17(Co3O17)2 to be Fe2CoO4" +mp-532300,Fe2CoO4,-7.7745821973,-1.512422903,0.0746209766,0.0746209766,GGA+U,Cm,AB2C4_mC112_8_8a_8a4b_16a8b:Co-Fe-O,56.0,"Invalid WP multiplicities - AB2C4_mC112_8_8a_8a7b_16a14b:Co-Fe-O, expected Fe11(Co2O11)2 to be Fe2CoO4" +mp-765860,Fe2CoO4,-7.7938219364,-1.5316626421,0.0553812375,0.0553812375,GGA+U,Imma,AB2C4_oI28_74_e_ac_hi:Co-Fe-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_e_2a2c_3h3i:Co-Fe-O, expected Fe4CoO12 to be Fe2CoO4" +mp-1381564,Fe2CoO4,-7.3490918336,-1.0869325393,0.5001113404,0.5001113404,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Co-Fe-O,14.0,AB2C4_tI28_141_a_d_h:Co-Fe-O +mp-36738,Fe2CoO4,-7.7273760145,-1.4652167202,0.1218271594,0.1218271594,GGA+U,P3_121,AB2C4_hP42_152_ab_2c_4c:Co-Fe-O,42.0,"Invalid WP multiplicities - AB2C4_hP42_152_2a2b_11c_22c:Co-Fe-O, expected Fe11(CoO11)2 to be Fe2CoO4" +mp-753222,Fe2CoO4,-7.8389733886,-1.5768140943,0.0102297854,0.0102297854,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Fe-O,14.0,AB2C4_cF56_227_a_d_e:Co-Fe-O +mp-772739,Fe2CoO6,-7.1258672093,-1.1560347112,0.1533225264,0.1533225264,GGA+U,C2,AB2C6_mC54_5_ac_ab2c_9c:Co-Fe-O,27.0,"Invalid WP multiplicities - AB2C6_mC54_5_a2c_ab4c_18c:Co-Fe-O, expected Fe10Co5O36 to be Fe2CoO6" +mp-753617,Fe2CoO6,-7.156951995,-1.1871194969,0.1222377407,0.1222377407,GGA+U,P4_2/mnm,AB2C6_tP18_136_a_e_fj:Co-Fe-O,18.0,"Invalid WP multiplicities - AB2C6_tP18_136_a_e_2f3j:Co-Fe-O, expected Fe2CoO16 to be Fe2CoO6" +mp-885521,Fe2CoO6,-7.1411731237,-1.1713406256,0.138016612,0.138016612,GGA+U,P321,AB2C6_hP27_150_ad_ef_3g:Co-Fe-O,27.0,"Invalid WP multiplicities - AB2C6_hP27_150_a2d_3e2f_16g:Co-Fe-O, expected Fe15Co5O96 to be Fe2CoO6" +mp-1097012,FeCoO2,-7.4124037675,-1.0444746606,0.3441887341,0.3441887341,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Co-Fe-O,8.0,ABC2_hP8_194_c_a_f:Co-Fe-O +mp-778217,Fe2Co3O10,-6.9465817963,-1.0977896018,0.1204836064,0.1204836064,GGA+U,Pm,A3B2C10_mP30_6_2a4b_3ab_10a10b:Co-Fe-O,30.0,A3B2C10_mP30_6_2a4b_3ab_10a10b:Co-Fe-O +mp-771307,Fe5Co3O16,-7.0982056721,-1.1472857215,0.1478396366,0.1478396366,GGA+U,Cm,A3B5C16_mC48_8_ab_3ab_8a4b:Co-Fe-O,24.0,A3B5C16_aP24_1_3a_5a_16a:Co-Fe-O +mp-753348,Fe(CoO2)2,-7.4950878157,-1.4274575807,0.0169753248,0.0169753248,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Co-Fe-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_2ae_c_h2i:Co-Fe-O, expected Fe(CoO2)3 to be Fe(CoO2)2" +mp-1225378,Fe7(CoO6)2,-7.7989185605,-1.4719162464,0.1348698502,0.1348698502,GGA+U,C2/c,A2B7C12_mC84_15_f_ace2f_6f:Co-Fe-O,42.0,"Invalid WP multiplicities - A2B7C12_mC84_15_f_2ac2e3f_22f:Co-Fe-O, expected Fe11(CoO22)2 to be Fe7(CoO6)2" +mp-1178259,FeCo3O8,-6.8350496981,-1.0543426744,0.1126957673,0.1126957673,GGA+U,P1,A3BC8_aP48_1_12a_4a_32a:Co-Fe-O,48.0,A3BC8_aP48_1_12a_4a_32a:Co-Fe-O +mp-771245,FeCo3O8,-6.8284030017,-1.0476959779,0.1193424638,0.1193424638,GGA+U,R3m,A3BC8_hR36_160_b_a_2a2b:Co-Fe-O,12.0,A3BC8_hR36_160_b_a_2a2b:Co-Fe-O +mp-753474,FeCo3O8,-6.8033590042,-1.0226519804,0.1443864613,0.1443864613,GGA+U,R-3m,A3BC8_hR36_166_d_b_ch:Co-Fe-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_b_c2h:Co-Fe-O, expected FeCo3O14 to be FeCo3O8" +mp-761579,FeCo3O8,-6.865684255,-1.0849772313,0.0820612105,0.0820612105,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Co-Fe-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Fe-O, expected Fe(CoO10)3 to be FeCo3O8" +mp-776400,FeCo3O8,-6.8149981833,-1.0342911596,0.1327472821,0.1327472821,GGA+U,P4_332,A3BC8_cP48_212_d_a_ce:Co-Fe-O,48.0,"Invalid WP multiplicities - A3BC8_cP48_212_d_a_8c9e:Co-Fe-O, expected FeCo3O70 to be FeCo3O8" +mp-761530,Fe(CoO3)2,-6.9024052278,-1.0838731092,0.1116290917,0.1116290917,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Co-Fe-O,9.0,"Invalid WP multiplicities - A2BC6_mC18_12_i_a_6i:Co-Fe-O, expected Fe(CoO6)2 to be Fe(CoO3)2" +mp-753096,Fe(CoO3)2,-6.9087526811,-1.0902205625,0.1052816384,0.1052816384,GGA+U,Cmce,A2BC6_oC36_64_d_a_fg:Co-Fe-O,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_2f2g:Co-Fe-O, expected Fe(CoO6)2 to be Fe(CoO3)2" +mp-21211,InFeCo2,-6.2949232275,0.064661905,0.1030202617,0.1030202617,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Fe-In,4.0,A2BC_cF16_225_c_a_b:Co-Fe-In +mp-771048,FeCo9O20,-6.7840385177,-1.0714166647,0.0443870105,0.0443870105,GGA+U,P-1,A9BC20_aP30_2_b4i_e_10i:Co-Fe-O,30.0,"Invalid WP multiplicities - A9BC20_aP30_2_b7i_e_20i:Co-Fe-O, expected Fe(Co3O8)5 to be FeCo9O20" +mp-756471,FeCo5O12,-6.8127554167,-1.0698734878,0.0687011948,0.0687011948,GGA+U,C2/m,A5BC12_mC36_12_agh_d_2i2j:Co-Fe-O,18.0,"Invalid WP multiplicities - A5BC12_mC36_12_a2gh_c_4i5j:Co-Fe-O, expected Fe(CoO4)7 to be FeCo5O12" +mp-757738,Fe19Co5O32,-7.9005900932,-1.5654824017,0.043771472,0.043771472,GGA+U,C2/m,A5B19C32_mC112_12_afi_bh2i3j_4i6j:Co-Fe-O,56.0,"Invalid WP multiplicities - A5B19C32_mC112_12_ae2i_bh4i9j_8i14j:Co-Fe-O, expected Fe47Co7O72 to be Fe19Co5O32" +mp-1224078,InFeCoO4,-7.090012585,-1.644758645,0.0458466775,0.0458466775,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Co-Fe-In-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h2i:Co-Fe-In-O, expected InFeCoO8 to be InFeCoO4" +mp-771370,Fe3Co5O16,-6.9202304979,-1.0827858319,0.1269482486,0.1269482486,GGA+U,Cm,A5B3C16_mC48_8_3ab_ab_8a4b:Co-Fe-O,24.0,"Invalid WP multiplicities - A5B3C16_mC48_8_3a2b_ab_8a6b:Co-Fe-O, expected Fe3Co7O20 to be Fe3Co5O16" +mp-756418,Fe3Co5O16,-6.9371421729,-1.0996975069,0.1100365736,0.1100365736,GGA+U,P2/m,A5B3C16_mP24_10_cmn_dn_4m4n:Co-Fe-O,24.0,"Invalid WP multiplicities - A5B3C16_mP24_10_am2n_d2n_8m8n:Co-Fe-O, expected Fe5Co7O32 to be Fe3Co5O16" +mp-1225711,Er6Mn(SiS7)2,-6.4512470661,-1.8717139205,0.0052296491,0.0052296491,GGA,P3,A6BC14D2_hP23_143_2d_c_ab4d_ab:Er-Mn-S-Si,23.0,A6BC14D2_hP23_143_2d_c_ab4d_ab:Er-Mn-S-Si +mp-1225595,Er2MnS4,-6.8693286364,-1.8917211536,0.027853784,0.027853784,GGA,Cmc2_1,A2BC4_oC28_36_2a_a_4a:Er-Mn-S,14.0,A2BC4_oC28_36_2a_a_4a:Er-Mn-S +mp-1225601,Er4MnS7,-6.7785582608,-2.0795549608,0.0262322843,0.0262322843,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Er-Mn-S,12.0,A4BC7_mC24_8_4a_a_7a:Er-Mn-S +mp-1225712,Er9MnS14,-6.7271071325000005,-2.2195328526,0.0324755555,0.0324755555,GGA,Cm,A9BC14_mC48_8_9a_a_14a:Er-Mn-S,24.0,A9BC14_mC48_8_9a_a_14a:Er-Mn-S +mp-604153,LaCr2Si2C,-7.7924593467,-0.4055587471,0.0,-0.0002405838,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-La-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-La-Si +mp-1220857,NaTlO2,-4.6765863825,-1.2819499168,0.1433840425,0.0162617016,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Na-O-Tl,4.0,AB2C_tP4_123_a_bc_d:Na-O-Tl +mp-36234,NaTlO2,-4.8038165612,-1.4091800956,0.0161538637,-0.1109684771,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Na-O-Tl,8.0,AB2C_tI16_141_a_e_b:Na-O-Tl +mp-3056,NaTlO2,-4.819970425,-1.4253339593,0.0,-0.1271223409,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-O-Tl,4.0,AB2C_hR12_166_a_c_b:Na-O-Tl +mp-867680,NaTlO,-3.9946074908,-1.1173217737,0.0618906742,0.0550576597,GGA,Pm,ABC_mP12_6_2a2b_2a2b_2a2b:Na-O-Tl,12.0,ABC_mP12_6_2a2b_2a2b_2a2b:Na-O-Tl +mp-1220867,NaTlO,-4.056498165,-1.1792124479,0.0,-0.0068330144,GGA,P6_3mc,ABC_hP6_186_b_a_b:Na-O-Tl,6.0,ABC_hP6_186_b_a_b:Na-O-Tl +mp-1212644,Na3TlO6,-3.431410209,0.1696249205,1.288205863,1.288205863,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Na-O-Tl,10.0,A3B6C_oC20_65_de_kp_a:Na-O-Tl +mp-29454,Na3TlO2,-4.052300645,-1.3483679034,0.0,-0.0392817925,GGA,Pnma,A3B2C_oP24_62_cd_ac_c:Na-O-Tl,24.0,"Invalid WP multiplicities - A3B2C_oP24_62_c2d_ac_c:Na-O-Tl, expected Na5TlO2 to be Na3TlO2" +mp-7652,Na5TlO4,-4.3678934112,-1.4916909654,0.0,-0.0581815173,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:Na-O-Tl,80.0,A5B4C_oP80_61_5c_4c_c:Na-O-Tl +mp-1213437,NaTl3O6,-3.591122915,0.2179357851,1.3404355046,1.3404355046,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Na-O-Tl,10.0,AB6C3_oC20_65_a_kp_de:Na-O-Tl +mp-1220881,NaTi2TlO6,-7.450599968,-2.5349714939,0.1680182227,0.1680182227,GGA,I4mm,AB6C2D_tI20_107_a_bc_b_a:Na-O-Ti-Tl,10.0,AB6C2D_tI20_107_a_bc_b_a:Na-O-Ti-Tl +mp-2222802,CeMgTi2O6,-8.676595002,-3.3761464514,0.1002323336,0.1002323336,GGA,Cm,ABC6D2_mC20_8_a_a_6a_2a:Ce-Mg-O-Ti,10.0,ABC6D2_mC20_8_a_a_6a_2a:Ce-Mg-O-Ti +mp-2222931,CeMgTi2O6,-8.665573889000001,-3.3651253384,0.1112534466,0.1112534466,GGA,C2/m,ABC6D2_mC20_12_a_d_3i_i:Ce-Mg-O-Ti,10.0,ABC6D2_mC20_12_a_c_3i_i:Ce-Mg-O-Ti +mp-2229877,Ce4MgTi2O10,-8.6802281365,-3.3513747355,0.2386064144,0.2386064144,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ce-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ce-Mg-O-Ti +mp-1021416,CeMg6Ti,-2.7781083637,0.1506743202,0.1725321753,0.1725321753,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Ti, expected CeMg12Ti to be CeMg6Ti" +mp-1021545,CeMg6Ti,-2.7836417931,0.1451408908,0.1669987459,0.1669987459,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ce-Mg-Ti, expected CeMg12Ti to be CeMg6Ti" +mp-1026778,CeMg14Ti,-2.1938878163,0.0706435507,0.0918303459,0.0918303459,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Ti, expected CeMg18Ti to be CeMg14Ti" +mp-1026754,CeMg14Ti,-2.15655963,0.107971737,0.1291585322,0.1291585322,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Ti, expected CeMg26Ti to be CeMg14Ti" +mp-2228835,Ce2MgTi4O12,-9.03131687,-3.5361226089,0.0405592956,0.0405592956,GGA,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Ce-Mg-O-Ti,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Ce-Mg-O-Ti +mp-2228778,Ce2MgTi4O12,-9.02980996,-3.5346156989,0.0420662056,0.0420662056,GGA,P-1,A2BC12D4_aP19_2_i_a_6i_2i:Ce-Mg-O-Ti,19.0,"Invalid WP multiplicities - A2BC12D4_aP19_2_i_a_12i_4i:Ce-Mg-O-Ti, expected Ce2MgTi8O24 to be Ce2MgTi4O12" +mp-2228372,Ce2MgTi4O12,-9.0385358495,-3.5433415883,0.0333403161,0.0333403161,GGA,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Ce-Mg-O-Ti,19.0,A2BC12D4_mC38_5_ab_a_6c_2c:Ce-Mg-O-Ti +mp-1220991,Nd3Si(Mo2O7)2,-8.7687749224,-2.7521384349,0.0848792259,0.0848792259,GGA+U,Pna2_1,A4B3C14D_oP88_33_4a_3a_14a_a:Mo-Nd-O-Si,88.0,"Invalid WP multiplicities - A4B3C14D_oP88_33_9a_3a_34a_a:Mo-Nd-O-Si, expected Nd3SiMo9O34 to be Nd3Si(Mo2O7)2" +mp-1222920,LaCeAl4,-4.7725668317,-0.464000235,0.0186093908,0.0186093908,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ce-La,6.0,A4BC_cF24_216_e_a_c:Al-Ce-La +mp-1222911,LaCeAl2O6,-8.464009575,-3.6599715563,0.0124438385,0.0124438385,GGA,P4/mmm,A2BCD6_tP10_123_g_c_d_abi:Al-Ce-La-O,10.0,A2BCD6_tP10_123_g_c_d_abi:Al-Ce-La-O +mp-1225482,LaCeAl2O6,-8.47138459,-3.6673465712,0.0050688235,0.0050688235,GGA,R32,A2BCD6_hR30_155_c_a_b_de:Al-Ce-La-O,10.0,A2BCD6_hR30_155_c_a_b_de:Al-Ce-La-O +mp-1223030,LaCeAl2O6,-8.465133065,-3.6610950463,0.0113203485,0.0113203485,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Al-Ce-La-O,10.0,A2BCD6_cF40_225_c_a_b_d:Al-Ce-La-O +mp-16455,BaNd2ZnS5,-5.773989415,-2.0631824428,0.0212445306,0.0212445306,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-Nd-S-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-Nd-S-Zn +mp-1111827,Rb2TaAgI6,-3.483856202,-0.9346962142,0.1718448105,0.1718448105,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Ta +mp-560600,CsNiPdF5,-4.9029060263,-2.2263040638,0.0033031312,0.0033031312,GGA+U,Imma,AB5CD_oI32_74_e_ej_a_c:Cs-F-Ni-Pd,16.0,"Invalid WP multiplicities - AB5CD_oI32_74_e_e2j_a_c:Cs-F-Ni-Pd, expected CsNiPdF9 to be CsNiPdF5" +mp-569109,MnBiSe2I,-4.977218547,-0.6836798015000001,0.0058083375,0.0058083375,GGA,C2/m,ABCD2_mC20_12_i_i_ac_2i:Bi-I-Mn-Se,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_i_ad_4i:Bi-I-Mn-Se, expected MnBiSe4I to be MnBiSe2I" +mp-1104183,Mn(BiSe2)2,-5.0715836107,-0.6677779732,0.0,-0.0059591921,GGA,C2/m,A2BC4_mC28_12_2i_ad_4i:Bi-Mn-Se,14.0,A2BC4_mC28_12_2i_ad_4i:Bi-Mn-Se +mp-1210699,Mn2Be3Tl2F12,-6.0867021237,-3.0758966983,0.0,-0.0093944686,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-Tl,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-Tl +mp-1179014,SrVCu3Se4,-4.8831750922,-0.7659900429000001,0.2437416672,0.2437416672,GGA,P-43m,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-V,9.0,A3B4CD_cP9_215_c_e_a_b:Cu-Se-Sr-V +mp-989539,Rb2AlTlH6,-3.042935127,-0.2003707878,0.0387784087,0.0387784087,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-H-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-H-Rb-Tl +mp-989566,Rb2InGaF6,-4.725831525,-2.8048593547,0.0,-0.0087093935,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Rb +mp-1205973,Ba2CePuO6,-8.861322648,-3.4894216847,0.025686502,0.025686502,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pu,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pu +mp-1183759,CePuO3,-10.091614706,-3.0834159823,0.5487905186,0.5487905186,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ce-O-Pu,5.0,AB3C_cP5_221_a_c_b:Ce-O-Pu +mp-557692,Ba3Tl2Cl2O5,-5.4426432483,-2.1999159159,0.0231472483,0.0231472483,GGA,I4/mmm,A3B2C5D2_tI24_139_ae_e_bg_e:Ba-Cl-O-Tl,12.0,A3B2C5D2_tI24_139_ae_e_bg_e:Ba-Cl-O-Tl +mp-1209448,RbCe(ClO)4,-4.641333355,-1.2318808837,0.5288282517,0.5288282517,GGA,P2_12_12,AB4C4D_oP20_18_a_2c_2c_b:Ce-Cl-O-Rb,20.0,AB4C4D_oP20_18_a_2c_2c_b:Ce-Cl-O-Rb +mp-1210222,Rb3Ce(Cl3O)2,-4.0649602153,-1.5766861524,0.5710942208,0.5710942208,GGA,P6_3/m,AB6C2D3_hP72_176_h_2h2i_i_bfi:Ce-Cl-O-Rb,72.0,AB6C2D3_hP72_176_h_2h2i_i_bfi:Ce-Cl-O-Rb +mp-1219870,Pr2ScNbO7,-9.1562384991,-3.6451106233,0.0320589502,0.0320589502,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Nb-O-Pr-Sc,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Nb-O-Pr-Sc, expected Pr2ScNbO13 to be Pr2ScNbO7" +mp-861727,PuBr2,-7.6387084283,-1.8474100983,0.0,-0.0408296694,GGA,P4_2/mnm,A2B_tP6_136_f_a:Br-Pu,6.0,A2B_tP6_136_f_a:Br-Pu +mp-1186813,Pu3Br,-11.1905660025,-0.1014301725,0.5913486144,0.5913486144,GGA,Pm-3m,AB3_cP4_221_a_c:Br-Pu,4.0,AB3_cP4_221_a_c:Br-Pu +mp-27974,PuBr3,-6.7641338125,-2.0324029825,0.0,-0.6468454088000001,GGA,Cmcm,A3B_oC16_63_cf_c:Br-Pu,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:Br-Pu, expected PuBr5 to be PuBr3" +mp-1209588,Pu2Br2O,-8.513077262,-1.1953928558,1.1250776245,1.1250776245,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Pu,5.0,A2BC2_tP5_123_g_a_g:Br-O-Pu +mp-27982,PuBrO,-9.8662642083,-2.9437457513,0.0,-0.0994255039,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Pu,6.0,ABC_tP6_129_c_a_c:Br-O-Pu +mp-1195343,PuMoBrO5,-8.6602441913,-2.2352491505,0.0964939302,0.0964939302,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Br-Mo-O-Pu,32.0,ABC5D_mP32_14_e_e_5e_e:Br-Mo-O-Pu +mp-1225930,CsAlNiF6,-5.6666813822,-3.234460417,0.0,-0.0327561066,GGA+U,Imma,ABC6D_oI36_74_a_e_2ej_c:Al-Cs-F-Ni,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_e_4e2j_c:Al-Cs-F-Ni, expected CsAlNiF12 to be CsAlNiF6" +mp-1216043,ZnTcNiO4,-6.9211541464,-1.6086864207,0.0589067361,0.0589067361,GGA+U,Cm,AB4CD_mC28_8_2a_4a2b_b_2a:Ni-O-Tc-Zn,28.0,"Invalid WP multiplicities - AB4CD_mC28_8_4a_4a2b_b_2a:Ni-O-Tc-Zn, expected ZnTc(NiO2)2 to be ZnTcNiO4" +mp-1201069,CsCuPSe3,-4.2331574121,-0.7505497485,0.0,-0.0355041109,GGA,P2_1/c,ABCD3_mP48_14_2e_2e_2e_6e:Cs-Cu-P-Se,48.0,ABCD3_mP48_14_2e_2e_2e_6e:Cs-Cu-P-Se +mp-560558,CsCdAuS2,-3.592557748,-0.9195429748,0.000593675,0.000593675,GGA,Cmme,ABCD2_oC20_67_c_b_g_m:Au-Cd-Cs-S,10.0,ABCD2_oC20_67_c_b_g_m:Au-Cd-Cs-S +mp-1212155,HoCrGeO5,-8.2874772575,-2.8384862886,0.0115805617,0.0115805617,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Ge-Ho-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Ge-Ho-O +mp-9441,Ho(CrGe)6,-7.1382813531,-0.1968305208,0.0145398567,0.0145398567,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Cr-Ge-Ho,13.0,"Invalid WP multiplicities - A6B6C_hP13_191_i_2cd2e_a:Cr-Ge-Ho, expected Ho(Cr3Ge5)2 to be Ho(CrGe)6" +mp-647590,As5Pb3S10,-4.6273777028000005,-0.4163759303,0.1264919099,0.1264919099,GGA,P2_1,A5B3C10_mP72_4_10a_6a_20a:As-Pb-S,72.0,A5B3C10_mP72_4_20a_12a_40a:As-Pb-S +mp-667418,As5Pb3S10,-4.6208132431,-0.4098114706,0.1330563696,0.1330563696,GGA,P2_1,A5B3C10_mP72_4_10a_6a_20a:As-Pb-S,72.0,A5B3C10_mP72_4_20a_12a_40a:As-Pb-S +mp-773040,As5Pb3S10,-4.6724241564,-0.461422384,0.0814454563,0.0814454563,GGA,P2_1,A5B3C10_mP72_4_10a_6a_20a:As-Pb-S,72.0,"Invalid WP multiplicities - A5B3C10_mP72_4_19a_12a_39a:As-Pb-S, expected As19(Pb4S13)3 to be As5Pb3S10" +mp-637982,As5Pb3S10,-4.7227168599,-0.5117150874,0.0311527528,0.0311527528,GGA,P2_1/c,A5B3C10_mP72_14_5e_3e_10e:As-Pb-S,72.0,"Invalid WP multiplicities - A5B3C10_mP72_14_13e_8e_39e:As-Pb-S, expected As13Pb8S39 to be As5Pb3S10" +mp-646283,As9Pb7S20,-4.7210044894,-0.5362935874,0.0287583334,0.0287583334,GGA,P2_1,A9B7C20_mP72_4_9a_7a_20a:As-Pb-S,72.0,"Invalid WP multiplicities - A9B7C20_mP72_4_9a_7a_23a:As-Pb-S, expected As9Pb7S23 to be As9Pb7S20" +mp-1204830,As9Pb5S18,-4.7064713305,-0.4892401243,0.0483777584,0.0483777584,GGA,P-1,A9B5C18_aP64_2_9i_5i_18i:As-Pb-S,64.0,A9B5C18_aP64_2_9i_5i_18i:As-Pb-S +mp-27594,As4(Pb3S5)3,-4.7311195364,-0.6562250631000001,0.0014710188,0.0014710188,GGA,R3m,A4B9C15_hR84_160_ab_bc_3bc:As-Pb-S,28.0,A4B9C15_hR84_160_ab_bc_3bc:As-Pb-S +mp-1194686,As4(Pb3S5)3,-4.6475842486,-0.5726897752,0.0850063066,0.0850063066,GGA,R3m,A4B9C15_hR84_160_ab_bc_3bc:As-Pb-S,,A4B9C15_hR84_160_ab_bc_3bc:As-Pb-S +mp-19941,As2PbS4,-4.7286560761,-0.5034155979,0.0274523393,0.0274523393,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:As-Pb-S,28.0,A2BC4_oP28_62_2c_c_4c:As-Pb-S +mp-608653,As2Pb2S5,-4.7410056990000005,-0.5825856674000001,0.004650334,0.004650334,GGA,P2_1,A2B2C5_mP72_4_8a_8a_20a:As-Pb-S,72.0,"Invalid WP multiplicities - A2B2C5_mP72_4_16a_15a_39a:As-Pb-S, expected As16(Pb5S13)3 to be As2Pb2S5" +mp-558099,Nb2Tl5S4Br9,-4.3601932885,-1.233249276,0.01172435,0.01172435,GGA,Immm,A9B2C4D5_oI40_71_aln_g_m_bl:Br-Nb-S-Tl,20.0,"Invalid WP multiplicities - A9B2C4D5_oI40_71_a3l2n_g_m_b2l:Br-Nb-S-Tl, expected Nb2Tl9S4Br21 to be Nb2Tl5S4Br9" +mp-680340,Nb6Tl3SBr17,-4.7423583141,-1.1040734564,0.251943925,0.251943925,GGA,C2/c,A17B6CD3_mC108_15_e8f_3f_e_ef:Br-Nb-S-Tl,54.0,"Invalid WP multiplicities - A17B6CD3_mC108_15_2e29f_10f_e_2e2f:Br-Nb-S-Tl, expected Nb20Tl6SBr60 to be Nb6Tl3SBr17" +mp-1180384,Nb6Tl3SBr17,-4.7204103046,-1.082125447,0.2738919344,0.2738919344,GGA,C2/c,A17B6CD3_mC108_15_e8f_3f_e_ef:Br-Nb-S-Tl,54.0,"Invalid WP multiplicities - A17B6CD3_mC108_15_2e29f_10f_e_2e2f:Br-Nb-S-Tl, expected Nb20Tl6SBr60 to be Nb6Tl3SBr17" +mp-541709,Nb3Tl2Br9,-4.8149269418,-1.3144657715,0.0,-0.025877025,GGA,C2/m,A9B3C2_mC56_12_g2i3j_ij_j:Br-Nb-Tl,28.0,A9B3C2_mC56_12_g2i3j_ij_j:Br-Nb-Tl +mp-1216650,UFeCo,-9.126759335,-0.17017633,0.0086326758,0.0086326758,GGA,Imma,ABC_oI12_74_a_c_e:Co-Fe-U,6.0,ABC_oI12_74_a_c_e:Co-Fe-U +mp-1217449,UFe5Co5Si2,-7.85013188,-0.1552287188,0.1409531077,0.1409531077,GGA,Cm,A5B5C2D_mC26_8_5a_3ab_b_a:Co-Fe-Si-U,13.0,A5B5C2D_mC26_8_5a_3ab_b_a:Co-Fe-Si-U +mp-1221766,MnCr8Cu3S16,-6.5210476568,-0.6329329092,0.3063087661,0.3046046652,GGA,P-4m2,A8B3CD16_tP28_115_jk_ag_c_2j2k:Cr-Cu-Mn-S,28.0,"Invalid WP multiplicities - A8B3CD16_tP28_115_3j4k_cg_a_7j8k:Cr-Cu-Mn-S, expected MnCr28(CuS20)3 to be MnCr8Cu3S16" +mp-1221752,MnCr8Cu3S16,-6.8273564229,-0.9392416753,0.0,-0.0017041009,GGA,R3m,A8B3CD16_hR84_160_2a2b_3a_a_4a4b:Cr-Cu-Mn-S,28.0,"Invalid WP multiplicities - A8B3CD16_hR84_160_2a6b_3a_a_4a12b:Cr-Cu-Mn-S, expected MnCr20Cu3S40 to be MnCr8Cu3S16" +mp-1222098,Mn3Cr8CuS16,-7.2174652171,-0.9677212823,0.0022020138,0.0022020138,GGA,R3m,A8BC3D16_hR84_160_2a2b_a_3a_4a4b:Cr-Cu-Mn-S,28.0,"Invalid WP multiplicities - A8BC3D16_hR84_160_2a6b_a_3a_4a12b:Cr-Cu-Mn-S, expected Mn3Cr20CuS40 to be Mn3Cr8CuS16" +mp-1226344,CrGeSbO6,-7.4536794003,-2.1108784189,0.0,-0.0045077087,GGA+U,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Cr-Ge-O-Sb,36.0,ABC6D_tP18_102_a_a_3c_a:Cr-Ge-O-Sb +mp-28525,Mn15(Br3O10)2,-7.8331112934,-1.8408631572,0.0,-0.0535216952,GGA+U,Fm-3m,A6B15C20_cF164_225_e_ach_fg:Br-Mn-O,41.0,"Invalid WP multiplicities - A6B15C20_cF164_225_e_ac2h_2fg:Br-Mn-O, expected Mn27(Br3O14)2 to be Mn15(Br3O10)2" +mp-1180589,MnZn(Br2O3)2,-4.2740206446,-0.4145202705,0.4844004516,0.4844004516,GGA+U,Pbam,A4BC6D_oP48_55_2hi_ac_2g2i_h:Br-Mn-O-Zn,48.0,A4BC6D_oP48_55_2hi_ac_2g2i_h:Br-Mn-O-Zn +mp-1204233,MnZn(Br2O3)2,-4.1362059623,-0.2767055882,0.6222151339,0.6222151339,GGA+U,Pbam,A4BC6D_oP48_55_2hi_ac_2g2i_h:Br-Mn-O-Zn,48.0,A4BC6D_oP48_55_2hi_ac_2g2i_h:Br-Mn-O-Zn +mp-1190924,Mn2BrO3,-7.4010601333,-1.6148726254,0.094720066,0.094720066,GGA+U,Pnma,AB2C3_oP24_62_c_ac_cd:Br-Mn-O,24.0,AB2C3_oP24_62_c_ac_cd:Br-Mn-O +mp-1223352,La2MnGaO6,-8.2165346455,-3.0423088663,0.0942855737,0.0942855737,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ga-La-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_5e:Ga-La-Mn-O, expected La2MnGaO10 to be La2MnGaO6" +mp-1079542,CoNiAs,-6.01971966,-0.1705287,0.0620619077,0.0620619077,GGA,P-62m,ABC_hP9_189_ad_f_g:As-Co-Ni,9.0,ABC_hP9_189_ad_f_g:As-Co-Ni +mp-1226061,CoNi(AsS)2,-5.6164698208,-0.5365379844,0.0192587654,0.0192587654,GGA,P2_1,A2BCD2_mP12_4_2a_a_a_2a:As-Co-Ni-S,12.0,A2BCD2_mP12_4_2a_a_a_2a:As-Co-Ni-S +mp-1226009,CoNiAs2,-5.82316253,-0.2714897088,0.037218823,0.037218823,GGA,P-3m1,A2BC_hP4_164_d_a_b:As-Co-Ni,4.0,A2BC_hP4_164_d_a_b:As-Co-Ni +mp-1226018,CoNiAs4,-5.53633215,-0.2821774675,0.0182892511,0.0182892511,GGA,P2/m,A4BC_mP6_10_mn_c_e:As-Co-Ni,6.0,A4BC_mP6_10_mn_a_e:As-Co-Ni +mp-16318,RbTiS2,-5.807793345,-1.5205618893,0.0,-0.0183969219,GGA,R3m,AB2C_hR12_160_a_2a_a:Rb-S-Ti,4.0,AB2C_hR12_160_a_2a_a:Rb-S-Ti +mp-542067,Rb4Ti3S14,-5.4109117567,-1.3385826864,0.0,-0.0718667433,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Rb-S-Ti,42.0,A4B14C3_mC84_15_2f_7f_ef:Rb-S-Ti +mp-1209316,Rb2Ti(AgS2)2,-4.7737066433,-1.2106542394,0.0,-0.1563010245,GGA,P4_2/mcm,A2B2C4D_tP18_132_e_i_o_b:Ag-Rb-S-Ti,18.0,A2B2C4D_tP18_132_e_i_o_b:Ag-Rb-S-Ti +mp-1200007,Rb2Fe2As2O9,-6.7231464522,-1.8738434004,0.0,-0.1996202047,GGA+U,Pnma,A2B2C9D2_oP60_62_2c_ac_5c2d_2c:As-Fe-O-Rb,60.0,A2B2C9D2_oP60_62_2c_ac_5c2d_2c:As-Fe-O-Rb +mp-1025320,Ho2Re2Si2C,-8.3335338314,-0.6002233082,0.0,-0.0456241993,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Ho-Re-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Ho-Re-Si +mp-1205545,HoRe2SiC,-9.28481324,-0.4597238875,0.0,-0.0308332195,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ho-Re-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ho-Re-Si +mp-1184737,Ho2ReC2,-8.448084887,-0.434749705,0.0,-0.1277814698,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Ho-Re,20.0,A2B2C_oP20_62_2c_2c_c:C-Ho-Re +mp-1204182,Ho2Re3Si5,-7.9178288723,-0.5553299278,0.0,-0.0605364892,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Ho-Re-Si,40.0,A2B3C5_tP40_128_h_dh_egh:Ho-Re-Si +mp-1221267,Na2TiTeO6,-6.698282016,-2.3618839396,0.0,-0.0404143186,GGA,R3,A2B6CD_hR30_146_2a_2b_a_a:Na-O-Te-Ti,10.0,A2B6CD_hR30_146_2a_2b_a_a:Na-O-Te-Ti +mp-1110747,Rb2LiPrI6,-3.403226948,-1.6541174613,0.0475460288,0.0475460288,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-Li-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-Li-Pr-Rb +mp-1112918,Cs2YAuBr6,-3.922291884,-1.8373591003,0.0956176882,0.0956176882,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-Y +mp-1112288,Cs2YAgCl6,-4.433800978,-2.2156957959,0.0,-0.0093992808,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-Cs-Y +mp-1112469,K2GaAgCl6,-3.578767464,-1.661500476,0.0734030058,0.0734030058,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Cl-Ga-K +mp-1112217,K2TaCuBr6,-4.045552344,-1.2959571266,0.246110336,0.246110336,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Ta +mp-1110871,K2CuBiCl6,-3.735855811,-1.6106844456,0.0,-0.0015367907,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-Cl-Cu-K +mp-13937,Sr2TbReO6,-8.00735247,-2.9935512241,0.0885588253,0.0885588253,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Tb +mp-1113906,Rb2InAsF6,-4.6188051,-2.5347306915,0.1524220958,0.1524220958,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-In-Rb +mp-8306,Ba3FeN3,-6.3176217993,-0.7124173986,0.0,-0.0669093108,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Fe-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Fe-N +mp-1247465,Ba3Fe3N5,-7.1807747864,-0.5580963250000001,0.0096735968,0.0096735968,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Fe-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Fe-N +mp-532423,Li18Fe5N12,-5.5528389389,-0.5028773174,0.021803234,0.021803234,GGA,P2/c,A5B18C12_mP70_13_e2g_3e3f6g_6g:Fe-Li-N,70.0,"Invalid WP multiplicities - A5B18C12_mP70_13_2e7g_6e6f22g_24g:Fe-Li-N, expected Li7(FeN3)2 to be Li18Fe5N12" +mp-1210756,Li2FeN,-5.467941265,-0.3118507979,0.0977072517,0.0977072517,GGA,P6/mmm,AB2C_hP4_191_b_c_a:Fe-Li-N,4.0,AB2C_hP4_191_b_c_a:Fe-Li-N +mp-1245602,Ba5(FeN2)2,-5.91672613,-0.4730082373,0.1314671312,0.1314671312,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ba-Fe-N,44.0,A5B2C4_tP44_130_cg_f_g:Ba-Fe-N +mp-8924,Ba2LiFe2N3,-6.5354779137,-0.5734279210000001,0.0142595221,0.0142595221,GGA,C2/c,A2B2CD3_mC32_15_f_f_e_ef:Ba-Fe-Li-N,16.0,A2B2CD3_mC32_15_f_f_e_ef:Ba-Fe-Li-N +mp-28628,Li3FeN2,-5.6595510317,-0.514587755,0.0,-0.01344499,GGA,Ibam,AB3C2_oI24_72_a_bf_j:Fe-Li-N,12.0,AB3C2_oI24_72_a_bf_j:Fe-Li-N +mp-1245963,Ba(FeN)2,-7.534887549,-0.428486107,0.030071779,0.030071779,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Fe-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Fe-N +mp-1245930,Ba(FeN)2,-7.283819508,-0.177418066,0.28113982,0.28113982,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Fe-N,5.0,AB2C2_hP5_164_a_d_d:Ba-Fe-N +mp-1247345,Ba3(FeN2)2,-6.6651623311,-0.4381682267,0.1858534917,0.1858534917,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Fe-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Fe-N +mp-1246438,Ba3(FeN2)2,-6.7449996500000005,-0.5180055456,0.1060161728,0.1060161728,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Fe-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Fe-N +mp-1029739,Li6FeN4,-5.3893864809,-0.5467011982000001,0.0,-0.0658335843,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Fe-Li-N,22.0,AB6C4_tP22_137_a_df_g:Fe-Li-N +mp-1246299,Ba2FeN2,-6.30504213,-0.508849942,0.1560729633,0.1560729633,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Fe-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Fe-N +mp-28637,Li4FeN2,-4.8766940843,-0.1940222948,0.2740440476,0.2740440476,GGA,Immm,AB4C2_oI14_71_a_m_e:Fe-Li-N,7.0,AB4C2_oI14_71_a_m_e:Fe-Li-N +mp-1247321,Li(FeN)2,-7.338135616,-0.2337445887,0.16748715,0.16748715,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Fe-Li-N,20.0,A2BC2_mP20_14_2e_e_2e:Fe-Li-N +mp-1245798,LiFeN,-6.69744134,-0.4589616728,0.0,-0.0457824569,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Li-N,12.0,ABC_oP12_62_c_c_c:Fe-Li-N +mp-1245817,LiFeN,-6.5067353067,-0.2682556394,0.1907060333,0.1449235764,GGA,P-6m2,ABC_hP3_187_c_b_a:Fe-Li-N,3.0,ABC_hP3_187_c_b_a:Fe-Li-N +mp-1246245,Ba8Fe3N8,-6.30163876,-0.6461744153,0.0537444325,0.0537444325,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Ba-Fe-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Ba-Fe-N +mp-1103744,CsYZnTe3,-4.3267309283,-1.3181417991,0.0,-0.1045424798,GGA,Cmcm,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Y-Zn,12.0,AB3CD_oC24_63_c_cf_a_c:Cs-Te-Y-Zn +mp-1189126,CuPt(NCl)4,-3.872906365,1.218140268,1.7275965887,1.7275965887,GGA,I4/mmm,A4BC4D_tI20_139_i_b_j_a:Cl-Cu-N-Pt,20.0,A4BC4D_tI20_139_i_b_j_a:Cl-Cu-N-Pt +mp-1111983,K2InAuCl6,-3.486370178,-1.5526118196,0.0912550975,0.0912550975,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-Cl-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-Cl-In-K +mp-1112200,K2InHgCl6,-3.257685982,-1.6209477871,0.08853689,0.08853689,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Hg-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Hg-In-K +mp-10615,BaLiP,-3.95724116,-0.8768410556,0.0332898267,-0.0216930233,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Li-P,3.0,ABC_hP3_187_b_c_e:Ba-Li-P +mp-13277,BaLiP,-3.9905309867,-0.9101308822,0.0,-0.05498285,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Li-P,6.0,ABC_hP6_194_a_c_d:Ba-Li-P +mp-8279,Ba(CdP)2,-3.499186952,-0.5809150573,0.0,-0.0978347686,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Cd-P,5.0,AB2C2_hP5_164_a_d_d:Ba-Cd-P +mp-1192527,Ba4Li2(CdP2)3,-3.888678471,-0.7725298168,0.0,-0.0302826533,GGA,Cmcm,A4B3C2D6_oC60_63_2f_cf_2c_2c2f:Ba-Cd-Li-P,30.0,A4B3C2D6_oC60_63_2f_cf_2c_2c2f:Ba-Cd-Li-P +mp-1208044,Tm2Cu(GeO4)2,-7.4835411935,-2.7242763537,0.033170179,0.033170179,GGA,Cm,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Tm,26.0,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Tm +mp-1206885,Tm2CuGe6,-4.9091961411,-0.3770800693,0.0605951928,0.0605951928,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Tm,9.0,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Tm +mp-567808,Tm(CuGe)2,-4.843653264,-0.4595923693,0.0,-0.0074000018,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Tm,5.0,A2B2C_tI10_139_d_e_a:Cu-Ge-Tm +mp-567840,Tm(CuGe)2,-4.698101398,-0.3140405033,0.145551866,0.1381518642,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Cu-Ge-Tm,5.0,A2B2C_tI10_139_e_d_a:Cu-Ge-Tm +mp-1216928,Tm4CuGe8,-5.0945579877,-0.5571140490000001,0.0224655165,0.0224655165,GGA,Pmm2,AB8C4_oP13_25_a_2a2b2c2d_abcd:Cu-Ge-Tm,13.0,AB8C4_oP13_25_a_2a2b2c2d_abcd:Cu-Ge-Tm +mp-1208000,Tm2Cu(GeO3)4,-7.3201705253,-2.5357887636000003,0.0070707787,0.0070707787,GGA,P-1,AB4C12D2_aP19_2_a_2i_6i_i:Cu-Ge-O-Tm,19.0,AB4C12D2_aP19_2_a_2i_6i_i:Cu-Ge-O-Tm +mp-568519,Tm3(CuGe)4,-5.0076464836,-0.61524245,0.0,-0.0428979982,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Tm,11.0,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Tm +mp-1216535,TmCuGe,-5.0263345067,-0.6269778572,0.0393266633,-0.010285636,GGA,P-6m2,ABC_hP3_187_a_c_f:Cu-Ge-Tm,3.0,ABC_hP3_187_a_c_f:Cu-Ge-Tm +mp-1077392,TmCuGe,-5.06566117,-0.6663045206,0.0,-0.0496122993,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ge-Tm,6.0,ABC_hP6_194_c_d_a:Cu-Ge-Tm +mp-1078098,UGa5Fe,-5.2537967114,-0.2678093782,0.0,-0.0302818342,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Fe-Ga-U,7.0,AB5C_tP7_123_b_ci_a:Fe-Ga-U +mp-642477,U4Ga12Fe,-5.52827883,-0.2357603876,0.0059706106,0.0059706106,GGA,Im-3m,AB12C4_cI34_229_a_de_c:Fe-Ga-U,17.0,"Invalid WP multiplicities - AB12C4_cI34_229_a_4d4e_c:Fe-Ga-U, expected U4Ga48Fe to be U4Ga12Fe" +mp-1079968,UGaFe,-7.7943963744,-0.1978872936,0.0,-0.0321999604,GGA,P-62m,ABC_hP9_189_ad_g_f:Fe-Ga-U,9.0,ABC_hP9_189_ad_g_f:Fe-Ga-U +mp-1216716,U2Al3Ga,-6.3156571333,-0.1743832112,0.0281107285,0.0281107285,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Ga-U,6.0,A3BC2_hR18_166_d_a_c:Al-Ga-U +mp-643092,U(GaFe)6,-6.4026954169,-0.2273020781,0.0,-0.0301265012,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Fe-Ga-U,13.0,"Invalid WP multiplicities - A6B6C_oI26_71_f2k_2e2g2h_a:Fe-Ga-U, expected U(Ga6Fe5)2 to be U(GaFe)6" +mp-1216426,UAl7GaFe4,-5.8993859823,-0.1748766221,0.1374952932,0.1374952932,GGA,Imm2,A7B4CD_oI26_44_ace_2bc_a_a:Al-Fe-Ga-U,13.0,A7B4CD_oI26_44_ace_2bc_a_a:Al-Fe-Ga-U +mp-569129,TlCuPSe3,-4.2065606529,-0.4794128602,0.0,-0.0159196746,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cu-P-Se-Tl,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_8e_e:Cu-P-Se-Tl, expected TlCuPSe8 to be TlCuPSe3" +mp-1376543,Mg2TaAgO6,-7.1770380525,-2.4199354524,0.112695767,0.112695767,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Ag-Mg-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Ag-Mg-O-Ta, expected Mg3TaAgO18 to be Mg2TaAgO6" +mp-1227816,Ca3Mg2Ni13,-4.8573960878,-0.1707773889,0.0085746951,0.0085746951,GGA,R-3m,A3B2C13_hR54_166_ac_c_2cdh:Ca-Mg-Ni,18.0,A3B2C13_hR54_166_ac_c_2cdh:Ca-Mg-Ni +mp-24052,CaMgNiH4,-3.7852761518,-0.5057160389,0.0,-0.0228394745,GGA,P2_13,AB4CD_cP28_198_a_ab_a_a:Ca-H-Mg-Ni,28.0,AB4CD_cP28_198_a_ab_a_a:Ca-H-Mg-Ni +mp-1227887,Ca3MgNi14,-5.0623369933,-0.1435040372,0.0047218738,0.0047218738,GGA,R3m,A3BC14_hR54_160_3a_a_5a3b:Ca-Mg-Ni,18.0,A3BC14_hR54_160_3a_a_5a3b:Ca-Mg-Ni +mp-1028203,CaMg14Ni,-1.8594827975,0.0273707812,0.0951439158,0.0951439158,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Ni, expected CaMg18Ni to be CaMg14Ni" +mp-1028184,CaMg14Ni,-1.8399268181,0.0469267606,0.1146998951,0.1146998951,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Ni, expected CaMg26Ni to be CaMg14Ni" +mp-1023382,CaMg6Ni,-2.1239185844,0.0495085231,0.1604064978,0.1604064978,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Ni, expected CaMg12Ni to be CaMg6Ni" +mp-1099109,CaMg6Ni,-2.1128271675,0.06059994,0.1714979146,0.1714979146,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Ni,8.0,AB6C_oC16_38_a_2bde_a:Ca-Mg-Ni +mp-12695,CaMg2Ni9,-4.9315248058000005,-0.1625756308,0.0034315596,0.0034315596,GGA,R-3m,AB2C9_hR36_166_a_c_bch:Ca-Mg-Ni,12.0,AB2C9_hR36_166_a_c_bch:Ca-Mg-Ni +mp-13434,CaMgNi4,-4.6532486567,-0.198844215,0.006002521,0.006002521,GGA,F-43m,ABC4_cF24_216_a_c_e:Ca-Mg-Ni,6.0,ABC4_cF24_216_a_c_e:Ca-Mg-Ni +mp-1228477,Ba2PrGaS5,-5.5633378267,-1.9712043831,0.0377465275,0.0377465275,GGA,Fmmm,A2BCD5_oF72_69_fg_h_i_dmo:Ba-Ga-Pr-S,18.0,"Invalid WP multiplicities - A2BCD5_oF72_69_fg_h_i_d2m2o:Ba-Ga-Pr-S, expected Ba2PrGaS9 to be Ba2PrGaS5" +mp-545500,BaSbClO2,-6.059967645,-2.5019895925,0.0,-0.0529244761,GGA,Cmcm,ABC2D_oC20_63_c_c_e_c:Ba-Cl-O-Sb,10.0,ABC2D_oC20_63_c_c_e_c:Ba-Cl-O-Sb +mp-1214551,Ba6Tb2Ga4O15,-6.9595929789,-2.9931005123,0.0,-0.021733666,GGA,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Tb,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Tb +mp-557209,NiBiAsO5,-6.5283388647,-1.6516903933,0.0,-0.0155914609,GGA+U,P-1,ABCD5_aP16_2_i_i_i_5i:As-Bi-Ni-O,32.0,ABCD5_aP16_2_i_i_i_5i:As-Bi-Ni-O +mp-1209358,Rb3Ta2AsS11,-5.6849824885,-1.1663222286,0.0,-0.0197626703,GGA,Cc,AB3C11D2_mC68_9_a_3a_11a_2a:As-Rb-S-Ta,34.0,AB3C11D2_mC68_9_a_3a_11a_2a:As-Rb-S-Ta +mp-1221437,Na(Nb3Te4)2,-6.5015792233,-0.6964590447,0.0258750533,0.0258750533,GGA,P-3,AB6C8_hP15_147_a_g_dg:Na-Nb-Te,15.0,AB6C8_hP15_147_a_g_dg:Na-Nb-Te +mp-559336,NaNb3(TeO4)4,-7.3742460735,-2.2348009333,0.0,-6.67435e-05,GGA,P2_1/m,AB3C16D4_mP48_11_a_df_6e5f_4e:Na-Nb-O-Te,48.0,"Invalid WP multiplicities - AB3C16D4_mP48_11_a_2b2f_12e20f_8e:Na-Nb-O-Te, expected NaNb6(Te2O13)4 to be NaNb3(TeO4)4" +mp-1206068,InBi2S4Br,-4.3816299737,-0.8151937503000001,0.0027390936,0.0027390936,GGA,C2/m,A2BCD4_mC16_12_i_a_d_2i:Bi-Br-In-S,8.0,A2BCD4_mC16_12_i_a_d_2i:Bi-Br-In-S +mp-1232079,Nd2MgS4,-5.9048218189,-1.9501969071,0.2156219914,0.2156219914,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Nd-S,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Nd-S +mp-1232071,Nd2MgS4,-6.0727814432,-2.1181565314,0.0476623671,0.0476623671,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Nd-S,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Nd-S +mp-1232069,Nd2MgS4,-6.0700842475,-2.1154593357,0.0503595629,0.0503595629,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Nd-S,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Nd-S +mp-1232070,Nd2MgS4,-6.010367685,-2.0557427732,0.1100761254,0.1100761254,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Nd-S,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Nd-S +mp-1232386,Nd2MgS4,-5.9171202889,-1.9624953771,0.2033235214,0.2033235214,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Nd-S,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Nd-S +mp-1232068,Nd2MgS4,-6.0375464036,-2.0829214918,0.0828974068,0.0828974068,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Nd-S,14.0,AB2C4_tI28_122_a_d_e:Mg-Nd-S +mp-1232096,Nd2MgS4,-6.0441032407,-2.0894783289,0.0763405696,0.0763405696,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Nd-S,14.0,AB2C4_cF56_227_a_d_e:Mg-Nd-S +mp-1220243,Nd6Mg(GeS7)2,-6.1240010696,-1.8907176569,0.0,-0.0264298695,GGA,P3,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mg-Nd-S,23.0,A2BC6D14_hP23_143_ab_c_2d_ab4d:Ge-Mg-Nd-S +mp-1232174,NdMgS3,-5.283548328,-1.5279929114000002,0.3873340555,0.3873340555,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Nd-S,20.0,ABC3_mC20_12_g_i_ij:Mg-Nd-S +mp-977548,Nd2MgGe2,-4.840586764,-0.7640606390000001,0.0,-0.0810887441,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Nd,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Nd +mp-1188412,Nd4Mg7Ge6,-3.9666970518,-0.5541842747,0.0,-0.008836675,GGA,C2/m,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Nd,17.0,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Nd +mp-504564,Si(PbS2)2,-5.1003945236,-0.9009071468,0.0,-0.0191909614,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:Pb-S-Si,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_5e_16e_e:Pb-S-Si, expected SiPb5S16 to be Si(PbS2)2" +mp-1220623,Nd2Si2PbS8,-5.9340183219,-1.5346970196,0.0,-0.0230870721,GGA,Cc,A2BC8D2_mC52_9_2a_a_8a_2a:Nd-Pb-S-Si,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_9_4a_a_14a_2a:Nd-Pb-S-Si, expected Nd4Si2PbS14 to be Nd2Si2PbS8" +mp-1012879,Li3Cr2(GeO4)3,-6.9432079742,-2.0300973922,0.1326693445,0.1326693445,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Cr-Ge-Li-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Cr-Ge-Li-O +mp-21549,LiCr(GeO3)2,-7.2886721482,-2.2398563168,0.0,-0.0099852358,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Cr-Ge-Li-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Cr-Ge-Li-O +mp-1105411,LiCr(GeO3)2,-7.2789140902,-2.2300982588,0.009758058,-0.0002271778,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Li-O,40.0,AB2CD6_mC40_15_e_f_e_3f:Cr-Ge-Li-O +mp-1218440,Sr3Fe2TeO9,-7.0459883513,-2.4011865464,0.0015821837,0.0015821837,GGA+U,P-3m1,A2B9C3D_hP15_164_d_ei_ad_b:Fe-O-Sr-Te,15.0,A2B9C3D_hP15_164_d_ei_ad_b:Fe-O-Sr-Te +mp-17834,La2SiSeO4,-8.2776856672,-3.4551858469,0.0,-0.0149782197,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:La-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:La-O-Se-Si +mp-14912,La4Si2Se3O7,-7.9946070434,-3.2627808002,0.0,-0.0035460336,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:La-O-Se-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:La-O-Se-Si +mp-504978,Na2CrCuF7,-5.4288342593,-2.7217744866,0.0077764511,0.0077764511,GGA+U,Pnma,ABC7D2_oP44_62_c_a_3c2d_bc:Cr-Cu-F-Na,44.0,ABC7D2_oP44_62_c_a_3c2d_bc:Cr-Cu-F-Na +mp-1111188,Na2GaAgI6,-2.526161796,-0.7915717247,0.2304324218,0.2304324218,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ga-I-Na +mp-1111351,Li2CoHgF6,-4.264088789,-1.9942170192,0.489709096,0.489709096,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Li,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-Li +mp-1110582,Rb2ScAuF6,-5.314169441,-3.0105401355,0.151210174,0.151210174,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-Sc +mp-1114123,KRb2LaCl6,-4.384217045,-2.4743476293,0.0630439883,0.0630439883,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-K-La-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-K-La-Rb +mp-1111215,K2RbDyCl6,-4.29239927,-2.4024653934,0.0929696247,0.0929696247,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Dy-K-Rb +mp-1114044,KRb2DyCl6,-4.347126132,-2.4701787428,0.029880361,0.029880361,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Dy-K-Rb +mp-1211368,KLaCuTe4,-4.3831198057,-1.1375717635,0.0,-0.0057305619,GGA,P4/nmm,ABCD4_tP14_129_a_c_c_2cf:Cu-K-La-Te,14.0,"Invalid WP multiplicities - ABCD4_tP14_129_a_c_c_2c2f:Cu-K-La-Te, expected KLaCuTe6 to be KLaCuTe4" +mp-1206918,Tb3TlSe6,-3.005619085,0.7185019463,2.504631605,2.504631605,GGA,Cmmm,A6B3C_oC20_65_kp_de_a:Se-Tb-Tl,10.0,A6B3C_oC20_65_kp_de_a:Se-Tb-Tl +mp-569507,TbTlSe2,-5.118322105,-1.6211140545,0.0,-0.1037763174,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Tb-Tl,4.0,A2BC_hR12_166_c_a_b:Se-Tb-Tl +mp-1105141,TbTl(PSe3)2,-4.79519706,-0.9152887474,0.0,-0.0445955036,GGA,P2_1,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Tb-Tl,20.0,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Tb-Tl +mp-1208376,TbTa5Ag2O15,-9.2570377624,-3.0053552874,0.0417314411,0.0417314411,GGA,P4/mbm,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Tb,46.0,A2B15C5D_tP46_127_g_dhi2j_cj_a:Ag-O-Ta-Tb +mp-1079663,Cs2Ca(Cl2O)2,-3.9595704278,-1.6169116848,0.4737030582,0.4737030582,GGA,P-1,AB4C2D2_aP9_2_a_2i_i_i:Ca-Cl-Cs-O,9.0,AB4C2D2_aP9_2_a_2i_i_i:Ca-Cl-Cs-O +mp-769263,TbInO3,-7.380217258,-2.9349940653,0.0560910489,0.0560910489,GGA,Pnma,AB3C_oP20_62_a_cd_c:In-O-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:In-O-Tb, expected TbInO7 to be TbInO3" +mp-1217549,TbInGe2O7,-7.2163889173,-2.5564865065,0.0025643969,0.0025643969,GGA,C2,A2BC7D_mC44_5_2c_c_ab6c_c:Ge-In-O-Tb,22.0,A2BC7D_mC44_5_2c_c_ab6c_c:Ge-In-O-Tb +mp-14698,Ho2Fe14B,-8.0208167194,-0.1134928105,0.0,-0.0182553835,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Ho,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Ho +mp-1192262,Ho3FeB7,-6.8871638405,-0.6168920027,0.0,-0.0313636269,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Fe-Ho,22.0,A7BC3_oC44_63_c3f_c_cf:B-Fe-Ho +mp-1212115,HoFeB4,-7.2565116713,-0.6281788107,0.0,-0.0877719323,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Ho,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Ho +mp-571500,Ho(FeB)2,-7.421599662,-0.4453526957,0.0,-0.0340134391,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Fe-Ho,5.0,A2B2C_tI10_139_e_d_a:B-Fe-Ho +mp-1220477,NdHoFe14B,-7.996100835,-0.0778511283,0.007393104,0.007393104,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_f_g:B-Fe-Ho-Nd,68.0,AB14CD_tP68_136_f_ce2j2k_f_g:B-Fe-Ho-Nd +mp-549475,TbBi2BrO4,-6.6429796788,-2.4360887369,0.0,-0.0585989132,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Tb,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Tb +mp-1111590,K2AlTlCl6,-3.86683885,-1.9248151669,0.08124697,0.08124697,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Tl +mp-1198179,Dy2Fe6Co8B,-7.4248376903,-0.155447392,0.0218344945,0.0218344945,GGA,P4_2/mnm,AB8C2D6_tP68_136_f_2jk_fg_cek:B-Co-Dy-Fe,68.0,AB8C2D6_tP68_136_f_2jk_fg_cek:B-Co-Dy-Fe +mp-1225817,DyFe2Co2B,-7.3678821542,-0.2940727174,0.0,-0.0006392963,GGA,Cmm2,AB2CD2_oC24_35_d_2ac_2b_cd:B-Co-Dy-Fe,12.0,AB2CD2_oC24_35_d_2ac_2b_cd:B-Co-Dy-Fe +mp-1220008,RbTa7(CuO7)3,-9.0451032136,-2.7900075752,0.0581999105,0.0581999105,GGA,Amm2,A3B21CD7_oC128_38_3a3b_ab6c3d3e4f_ab_c3f:Cu-O-Rb-Ta,64.0,"Invalid WP multiplicities - A3B21CD7_oC128_38_3a3b_ab12c5d5e14f_ab_c8f:Cu-O-Rb-Ta, expected RbTa17(CuO17)3 to be RbTa7(CuO7)3" +mp-1113927,Rb2TlBiF6,-4.646726801,-2.6834193783,0.0292711963,0.0292711963,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-F-Rb-Tl +mp-1190366,NaSm3GeS7,-5.902035585,-1.8139971999,0.0257758747,0.0257758747,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Ge-Na-S-Sm,24.0,ABC7D3_hP24_173_b_a_b2c_c:Ge-Na-S-Sm +mp-999455,NaSmS2,-5.6407034275,-2.062200637,0.0,-0.1208639722,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Sm,4.0,AB2C_hR12_166_a_c_b:Na-S-Sm +mp-1207281,Na(SmS2)3,-3.254047126,0.775651164,2.843549726,2.843549726,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:Na-S-Sm,10.0,AB6C3_oC20_65_a_kp_de:Na-S-Sm +mp-561511,FeAsS,-6.3728415233,-0.6176450294,0.0,-0.0615307492,GGA,P2_1/c,ABC_mP12_14_e_e_e:As-Fe-S,12.0,ABC_mP12_14_e_e_e:As-Fe-S +mp-2219439,MgFe4(AsS)4,-5.8556146762,-0.4200271394,0.3006779165,0.3006779165,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:As-Fe-Mg-S,13.0,"Invalid WP multiplicities - A4B4CD4_aP13_2_4i_4i_a_4i:As-Fe-Mg-S, expected MgFe8(AsS)8 to be MgFe4(AsS)4" +mp-2218842,MgFe4(AsS)4,-5.7604596946,-0.3248721579,0.3958328981,0.3958328981,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:As-Fe-Mg-S,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:As-Fe-Mg-S +mp-2219296,MgFe4(AsS)4,-5.8403407531,-0.4047532163,0.3159518396,0.3159518396,GGA,P-1,A4B4CD4_aP13_2_2i_2i_a_2i:As-Fe-Mg-S,13.0,"Invalid WP multiplicities - A4B4CD4_aP13_2_4i_4i_a_4i:As-Fe-Mg-S, expected MgFe8(AsS)8 to be MgFe4(AsS)4" +mp-2218951,MgFe4(AsS)4,-5.8548531215,-0.4192655848,0.3014394712,0.3014394712,GGA,P-1,A4B4CD4_aP13_2_2i_2i_a_2i:As-Fe-Mg-S,13.0,"Invalid WP multiplicities - A4B4CD4_aP13_2_4i_4i_a_4i:As-Fe-Mg-S, expected MgFe8(AsS)8 to be MgFe4(AsS)4" +mp-1224703,Fe2AsS3,-6.34365833,-0.6755732591,0.0573036892,0.0573036892,GGA,Pm,AB2C3_mP6_6_a_ab_a2b:As-Fe-S,6.0,AB2C3_mP6_6_a_ab_a2b:As-Fe-S +mp-1025023,TbCBr,-6.432761055,-1.2940744142,0.0,-0.0203541009,GGA,C2/m,ABC_mC12_12_i_i_i:Br-C-Tb,6.0,ABC_mC12_12_i_i_i:Br-C-Tb +mp-569962,Rb2Tb10C4Br19,-5.2345734606,-1.9566611924,0.0,-0.0288317544,GGA,Pbcn,A19B4C2D10_oP140_60_a2c8d_2d_bc_5d:Br-C-Rb-Tb,140.0,"Invalid WP multiplicities - A19B4C2D10_oP140_60_4a7c60d_8d_3b3c_29d:Br-C-Rb-Tb, expected Rb6Tb58C16Br131 to be Rb2Tb10C4Br19" +mp-1025498,Tb2CBr,-6.1407110063,-1.1281045006,0.0,-0.0423073483,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Br-C-Tb,8.0,ABC2_hP8_194_c_a_f:Br-C-Tb +mp-568643,RbC8,-8.3529322417,-0.0407257958,0.0,-0.0407257958,GGA,Fddd,A8B_oF72_70_2h_a:C-Rb,18.0,"Invalid WP multiplicities - A8B_oF72_70_6h_a:C-Rb, expected RbC24 to be RbC8" +mp-1077369,RbC2,-5.177317715,1.3019706375,1.3325149844,1.3325149844,GGA,P4/nmm,A2B_tP6_129_2c_c:C-Rb,6.0,A2B_tP6_129_2c_c:C-Rb +mp-10821,RbC,-4.7863084687,0.3182913137,0.3411995739,0.3411995739,GGA,Pnma,AB_oP16_62_2c_2c:C-Rb,16.0,AB_oP16_62_2c_2c:C-Rb +mp-33056,Rb6C5,-2.6265175555,2.1031671625,2.1239928536,2.1239928536,GGA,P-62m,A5B6_hP11_189_ah_fg:C-Rb,11.0,"Invalid WP multiplicities - A5B6_hP11_189_a2h_2fg:C-Rb, expected RbC to be Rb6C5" +mp-1208505,Tb4C2Br3,-5.9913538572,-1.3631449267,0.0,-0.0188594719,GGA,Pnma,A3B2C4_oP36_62_3c_2c_4c:Br-C-Tb,36.0,A3B2C4_oP36_62_3c_2c_4c:Br-C-Tb +mp-1209415,Rb4C,-1.6478072460000002,0.9823531105,0.9915164146,0.9915164146,GGA,Immm,AB4_oI10_71_a_fh:C-Rb,5.0,AB4_oI10_71_a_fh:C-Rb +mp-1207162,Rb4C,-1.620465286,1.0096950705,1.0188583746,1.0188583746,GGA,I4/mmm,AB4_tI10_139_a_j:C-Rb,5.0,AB4_tI10_139_a_j:C-Rb +mp-30229,Tb5C2Br9,-5.423598677,-1.9481976486,0.0,-0.0759822062,GGA,P2_1/c,A9B2C5_mP64_14_9e_2e_5e:Br-C-Tb,64.0,A9B2C5_mP64_14_9e_2e_5e:Br-C-Tb +mp-16975,RbC10,-8.2629055126,0.2159298508,0.2492509565,0.2492509565,GGA,Im-3,A10B_cI132_204_g2h_e:C-Rb,66.0,A10B_cI132_204_g2h_e:C-Rb +mp-546339,TbMn2BiO6,-7.341359916,-1.6934581078000002,0.7485278755,0.7485278755,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Mn-O-Tb,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Mn-O-Tb +mp-1226796,Ce2ZnSb4,-5.0450858971,-0.8105249143000001,0.0,-0.0328797767,GGA,P-4m2,A2B4C_tP7_115_g_abg_c:Ce-Sb-Zn,7.0,A2B4C_tP7_115_g_abg_c:Ce-Sb-Zn +mp-22620,CeZnSbO,-5.9364613113,-1.8693306322,0.0221798658,0.0221798658,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:Ce-O-Sb-Zn,8.0,ABCD_tP8_129_c_a_c_b:Ce-O-Sb-Zn +mp-1226943,Ce4Zn3Sb8,-4.7635361567,-0.727296332,0.0293907004,0.0293907004,GGA,P-4m2,A4B8C3_tP15_115_2g_ef2g_abc:Ce-Sb-Zn,15.0,"Invalid WP multiplicities - A4B8C3_tP15_115_3g_ef3g_abc:Ce-Sb-Zn, expected Ce6Zn3Sb10 to be Ce4Zn3Sb8" +mp-1191762,Pr3GaFeS7,-6.3293308162,-1.7629988524,0.0396343921,0.0396343921,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Pr-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Fe-Ga-Pr-S +mp-1199393,Pr(Ga4Fe)2,-4.5035523711,-0.3266690661,0.035755292,0.035755292,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Pr,44.0,A2B8C_oP44_55_2g_ad2g5h_g:Fe-Ga-Pr +mp-1220170,Pr(GaFe)6,-5.8184942608,-0.1439089415,0.1439876411,0.1439876411,GGA,Fmmm,A6B6C_oF52_69_dm_em_a:Fe-Ga-Pr,,A6B6C_oF52_69_dm_em_a:Fe-Ga-Pr +mp-1210591,Pr6GaFe13,-7.131687979,-0.0404976649,0.0179814174,0.0179814174,GGA,I4/mcm,A13BC6_tI80_140_dk2l_a_fl:Fe-Ga-Pr,40.0,A13BC6_tI80_140_dk2l_a_fl:Fe-Ga-Pr +mp-1224132,Ho2Mn3Sb3O14,-7.8354793982,-2.4585926121,0.0206707273,0.0206707273,GGA+U,C2/m,A2B3C14D3_mC44_12_ac_bf_3i2j_de:Ho-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_ac_be_5i6j_df:Ho-Mn-O-Sb, expected Ho2Mn3Sb3O34 to be Ho2Mn3Sb3O14" +mp-1213686,CsCr(MoO4)2,-8.1497814212,-2.1653431086,0.0,-0.016835959,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Cr-Cs-Mo-O,24.0,ABC2D8_hP12_164_a_b_d_di:Cr-Cs-Mo-O +mp-1192965,Yb2PbS4,-4.8500812021,-1.5161293311,0.1784092386,0.1784092386,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-S-Yb,,AB4C2_oP28_62_c_4c_2c:Pb-S-Yb +mp-1193466,Yb2PbS4,-4.8565802275,-1.5226283564,0.1719102132,0.1719102132,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Pb-S-Yb,,AB4C2_oP28_62_c_4c_2c:Pb-S-Yb +mp-1215739,YbCuPbS3,-4.76732963,-1.1405276932,0.1022323956,0.1022323956,GGA,Cmc2_1,ABC3D_oC24_36_a_a_3a_a:Cu-Pb-S-Yb,,"Invalid WP multiplicities - ABC3D_oC24_36_a_a_4a_a:Cu-Pb-S-Yb, expected YbCuPbS4 to be YbCuPbS3" +mp-1100858,Yb4PbS8,-4.5218423938,-1.2170209227,0.5011246265,0.5011246265,GGA,Pm,AB8C4_mP26_6_ab_8a8b_4a4b:Pb-S-Yb,,AB8C4_mP26_6_ab_8a8b_4a4b:Pb-S-Yb +mp-1021497,Li2SiSnS4,-4.860580875,-1.1357639893,0.0168684903,0.0168684903,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Li-S-Si-Sn,8.0,A2B4CD_tI16_121_d_i_a_b:Li-S-Si-Sn +mp-1192397,Si(SnS2)2,-5.1073891318,-0.8230661021000001,0.0041698168,0.0041698168,GGA,P2_1/c,A4BC2_mP28_14_4e_e_2e:S-Si-Sn,28.0,A4BC2_mP28_14_4e_e_2e:S-Si-Sn +mp-1201728,SmFeSb3,-5.7110403603,-0.5959181472,0.0044673538,0.0044673538,GGA,Pbcm,AB3C_oP40_57_e_2c2de_cd:Fe-Sb-Sm,40.0,AB3C_oP40_57_e_2c2de_cd:Fe-Sb-Sm +mp-1078705,SmFeSb2,-5.9580269937,-0.5963745375,0.0956059138,0.0956059138,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Fe-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Fe-Sb-Sm +mp-1219197,Sm2FeSbO7,-7.9933229459,-2.8421397006,0.0,-0.0068189684,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Fe-O-Sb-Sm,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Fe-O-Sb-Sm, expected Sm2FeSbO13 to be Sm2FeSbO7" +mp-1213017,Gd3Sc2Al3O12,-10.0630984441,-3.7885835964,0.0,-0.0215112311,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Al-Gd-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Al-Gd-O-Sc +mp-1358892,TiZnAsO5,-6.9809470531,-2.1624723546,0.2441173237,0.2441173237,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:As-O-Ti-Zn,32.0,AB5CD_oP32_19_a_5a_a_a:As-O-Ti-Zn +mp-1042540,TiZnAs2O7,-6.963612977,-2.1363135756,0.0637636547,0.0637636547,GGA,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:As-O-Ti-Zn,44.0,A2B7CD_mP44_14_2e_7e_e_e:As-O-Ti-Zn +mp-1352773,Ti3Zn3(AsO4)4,-6.9720864554,-2.1548095369,0.1883993091,0.1883993091,GGA,P2_1/c,A4B16C3D3_mP52_14_2e_8e_ae_de:As-O-Ti-Zn,52.0,"Invalid WP multiplicities - A4B16C3D3_mP52_14_5e_29e_ae_be:As-O-Ti-Zn, expected Ti3Zn3(As5O29)2 to be Ti3Zn3(AsO4)4" +mp-1194537,IrAuN5Cl6,-4.0367690108,0.9544625865,1.4711037079,1.4711037079,GGA,C2/m,AB6CD5_mC52_12_ad_g5i_i_i2j:Au-Cl-Ir-N,26.0,AB6CD5_mC52_12_ac_g5i_i_i2j:Au-Cl-Ir-N +mp-1212274,IrAuN5Cl6,-4.1767161354,0.8145154619,1.3311565833,1.3311565833,GGA,C2/m,AB6CD5_mC52_12_ad_g5i_i_i2j:Au-Cl-Ir-N,26.0,AB6CD5_mC52_12_ac_g5i_i_i2j:Au-Cl-Ir-N +mp-1223438,Na4La31(CoI12)5,-4.4086997991,-1.5862008851,0.0,-0.0037587039,GGA,P-1,A5B60C31D4_aP100_2_b2i_30i_e15i_2i:Co-I-La-Na,100.0,"Invalid WP multiplicities - A5B60C31D4_aP100_2_b4i_60i_e30i_3i:Co-I-La-Na, expected Na6La61(Co3I40)3 to be Na4La31(CoI12)5" +mp-640442,Na17In12Ga29,-2.6028876742,-0.1318890639,0.0105918991,0.0105918991,GGA,Fd-3m,A29B12C17_cF464_227_ae2g_g_beg:Ga-In-Na,116.0,"Invalid WP multiplicities - A29B12C17_cF464_227_2a8e27g_g_2b6e8g:Ga-In-Na, expected Na61In6Ga179 to be Na17In12Ga29" +mp-1111022,Na2InGaF6,-4.521636342,-2.5322659276,0.2586864123,0.2586864123,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-Na +mp-1018070,Ti2InFe,-6.715046315,0.0381259283,0.3200698525,0.3200698525,GGA,F-43m,ABC2_cF16_216_a_c_bd:Fe-In-Ti,4.0,ABC2_cF16_216_a_c_bd:Fe-In-Ti +mp-998965,TiInFe2,-6.9364329625,-0.0396284208,0.1729105075,0.1729105075,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-In-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-In-Ti +mp-1217450,Ti2In3FeO10,-7.6194513391,-2.4955173674,0.0212485759,0.0212485759,GGA+U,P2_1,AB3C10D2_mP32_4_a_3a_10a_2a:Fe-In-O-Ti,32.0,AB3C10D2_mP32_4_a_3a_10a_2a:Fe-In-O-Ti +mp-6294,Sr2ErRuO6,-7.5689551145,-2.8788310621,0.0,-0.025713201,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Er-O-Ru-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Er-O-Ru-Sr +mp-1018095,BaGaGeH,-3.774595865,-0.5338896494,0.0,-0.0206437433,GGA,P3m1,ABCD_hP4_156_b_a_c_a:Ba-Ga-Ge-H,4.0,ABCD_hP4_156_b_a_c_a:Ba-Ga-Ge-H +mp-1224638,K10NbInAs6,-3.3453970786,-0.4614143747,0.0,-0.0109156584,GGA,Pc,A6BC10D_mP36_7_6a_a_10a_a:As-In-K-Nb,36.0,A6BC10D_mP36_7_6a_a_10a_a:As-In-K-Nb +mp-1233559,MgCrF6,-5.8652439825,-3.0249688169,0.0951081538,0.0414669188,GGA+U,P1,AB6C_aP8_1_a_6a_a:Cr-F-Mg,8.0,AB6C_aP8_1_a_6a_a:Cr-F-Mg +mp-1233757,MgCrF6,-5.865824855,-3.0255496894,0.0945272812,0.0408860463,GGA+U,R3,AB6C_hR24_146_a_2b_a:Cr-F-Mg,8.0,"Invalid WP multiplicities - AB6C_hR24_146_a_3b_a:Cr-F-Mg, expected MgCrF9 to be MgCrF6" +mp-554955,MgCrF6,-5.9603521362,-3.1200769706,0.0,-0.053641235,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Mg,8.0,AB6C_hR24_148_a_f_b:Cr-F-Mg +mp-1784837,MgCr2F12,-5.543583204,-2.6206416973,0.0074196353,0.0074196353,GGA+U,P-1,A2B12C_aP15_2_i_6i_a:Cr-F-Mg,15.0,"Invalid WP multiplicities - A2B12C_aP15_2_i_12i_a:Cr-F-Mg, expected MgCr2F24 to be MgCr2F12" +mp-1445851,MgCr2F12,-4.3688918713,-1.4459503647,1.182110968,1.182110968,GGA+U,P-1,A2B12C_aP15_2_i_6i_a:Cr-F-Mg,15.0,"Invalid WP multiplicities - A2B12C_aP15_2_i_12i_a:Cr-F-Mg, expected MgCr2F24 to be MgCr2F12" +mp-1219571,RbMgCrF6,-5.8711204989,-3.2374832325,0.0942493188,0.0942493188,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Cr-F-Mg-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Cr-F-Mg-Rb, expected RbMgCrF12 to be RbMgCrF6" +mp-1017183,RbMg6Cr,-2.1055023669,0.4239053634,0.4385026954,0.4385026954,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Rb, expected RbMg12Cr to be RbMg6Cr" +mp-1017197,RbMg6Cr,-2.1098694988,0.4195382316,0.4341355635,0.4341355635,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Rb, expected RbMg12Cr to be RbMg6Cr" +mp-1395450,MgCrF5,-6.3117768407,-3.3388165039,0.0405320829,0.0405320829,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Cr-F-Mg,14.0,"Invalid WP multiplicities - AB5C_mC28_15_c_e3f_e:Cr-F-Mg, expected MgCrF7 to be MgCrF5" +mp-1045314,MgCrF4,-6.4383281067,-3.2884542083,0.038485505,0.038485505,GGA+U,C2/c,AB4C_mC24_15_c_2f_e:Cr-F-Mg,12.0,"Invalid WP multiplicities - AB4C_mC24_15_a_7f_e:Cr-F-Mg, expected MgCrF14 to be MgCrF4" +mp-1446098,MgCrF4,-6.3779223392,-3.2280484408,0.0988912725,0.0988912725,GGA+U,Ibam,AB4C_oI24_72_c_k_b:Cr-F-Mg,12.0,AB4C_oI24_72_c_k_b:Cr-F-Mg +mp-1026642,RbMg14Cr,-1.8423918875,0.2224520027,0.2394822233,0.2394822233,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Rb, expected RbMg18Cr to be RbMg14Cr" +mp-1026619,RbMg14Cr,-1.8439868062,0.2208570839,0.2378873045,0.2378873045,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Rb, expected RbMg26Cr to be RbMg14Cr" +mp-1112873,K2NaTaCl6,-4.540832856,-1.8916007783,0.1497745451,0.1497745451,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Ta +mp-1195909,BaPr2Sc2O7,-8.6404563208,-3.7427441843,0.0,-0.031293283,GGA,P4_2/mnm,AB7C2D2_tP48_136_f_2eghj_j_j:Ba-O-Pr-Sc,48.0,AB7C2D2_tP48_136_f_2eghj_j_j:Ba-O-Pr-Sc +mp-6342,LiCa3RuO6,-6.8941070955,-2.6322655214,0.0,-0.0374038514,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Li-O-Ru,22.0,A3BC6D_hR66_167_e_a_f_b:Ca-Li-O-Ru +mp-1229259,Ba6Gd(ReO6)3,-8.3049115607,-2.8776276237,0.0,-0.042283621,GGA,C2/m,A6BC18D3_mC112_12_2i2j_g_2i8j_ij:Ba-Gd-O-Re,56.0,"Invalid WP multiplicities - A6BC18D3_mC112_12_4i4j_g_4i28j_2i2j:Ba-Gd-O-Re, expected Ba12Gd(ReO10)6 to be Ba6Gd(ReO6)3" +mp-1214941,Ba2GdReO6,-9.010303212,-3.0064300547,0.003306189,-0.0122151963,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Gd-O-Re,20.0,A2BC6D_mP20_14_e_a_3e_b:Ba-Gd-O-Re +mp-1207285,Ba2GdReO6,-9.013609401,-3.0097362437,0.0,-0.0155213853,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Re +mp-9759,BaPr2PdO5,-7.5509229856,-2.9515772282,0.0,-0.0219120542,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Pr,18.0,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Pr +mp-1209637,Pr2PdO4,-7.3564528929,-2.4238174407,0.4846400579,0.4846400579,GGA,Fd-3m,A4BC2_cF56_227_e_a_d:O-Pd-Pr,14.0,A4BC2_tI28_141_h_a_d:O-Pd-Pr +mp-15050,Pr(PdO2)2,-6.9238328821,-1.9342008507,0.0,-0.1051151194,GGA,I4_1/a,A4B2C_tI28_88_f_c_b:O-Pd-Pr,14.0,A4B2C_tI28_88_f_c_b:O-Pd-Pr +mp-18197,Na2BeGeO4,-6.2277301056,-2.3784493366,0.0024357144,0.0024357144,GGA,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Be-Ge-Na-O,32.0,ABC2D4_mP32_14_e_e_2e_4e:Be-Ge-Na-O +mp-731221,Na2Be(GeO3)2,-6.4298124817,-2.3106623517,0.022585098,0.0110877233,GGA,P1,AB2C2D6_aP66_1_6a_12a_12a_36a:Be-Ge-Na-O,66.0,"Invalid WP multiplicities - AB2C2D6_oF264_43_2a2b_4a7b_4a8b_34b:Be-Ge-Na-O, expected Na10Be3Ge9O34 to be Na2Be(GeO3)2" +mp-554828,Na2Be(GeO3)2,-6.4523975797,-2.3332474498,0.0,-0.0114973747,GGA,Fdd2,AB2C2D6_oF264_43_ab_2a2b_2a2b_9b:Be-Ge-Na-O,66.0,AB2C2D6_oF264_43_ab_2a2b_2a2b_9b:Be-Ge-Na-O +mp-559587,CuSb2BrO3,-5.5100535111,-1.4028672805,0.0312424867,0.0312424867,GGA,Cmc2_1,ABC3D2_oC112_36_2ab_2ab_4a4b_4a2b:Br-Cu-O-Sb,56.0,"Invalid WP multiplicities - ABC3D2_oC112_36_4ab_3a2b_8a12b_7a5b:Br-Cu-O-Sb, expected Cu7Sb17(Br3O16)2 to be CuSb2BrO3" +mp-1113704,Rb2LiTiF6,-5.642415342,-3.3189796587,0.0,-0.0150680225,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Ti +mp-1304797,Sr3InNiO6,-6.3491882259,-2.4146034043,0.0,-0.0125709276,GGA+U,P2_1/c,ABC6D3_mP44_14_e_ad_6e_3e:In-Ni-O-Sr,44.0,"Invalid WP multiplicities - ABC6D3_mP44_14_e_ad_24e_10e:In-Ni-O-Sr, expected Sr10InNiO24 to be Sr3InNiO6" +mp-1305927,Sr3InNiO6,-6.3459010659,-2.4113162443,0.00328716,-0.0092837676,GGA+U,C2/c,ABC6D3_mC44_15_e_c_3f_ef:In-Ni-O-Sr,44.0,"Invalid WP multiplicities - ABC6D3_mC44_15_e_a_9f_2ef:In-Ni-O-Sr, expected Sr4InNiO18 to be Sr3InNiO6" +mp-884346,Sr3InNiO6,-6.3409937105,-2.4064088889,0.0081945155,-0.0043764122,GGA+U,R-3c,ABC6D3_hR66_167_a_b_f_e:In-Ni-O-Sr,22.0,ABC6D3_hR66_167_a_b_f_e:In-Ni-O-Sr +mp-20479,SrIn4Ni,-3.37642171,-0.2970275344,0.0001301408,0.0001301408,GGA,Cmcm,A4BC_oC24_63_acf_c_c:In-Ni-Sr,12.0,"Invalid WP multiplicities - A4BC_oC24_63_2a2c2f_c_c:In-Ni-Sr, expected SrIn8Ni to be SrIn4Ni" +mp-556265,Cs6Si2NiO8,-5.8555025076,-2.2333438804,0.0175324991,0.0175324991,GGA+U,P-1,A6BC8D2_aP17_2_3i_a_4i_i:Cs-Ni-O-Si,17.0,"Invalid WP multiplicities - A6BC8D2_aP17_2_5i_a_8i_i:Cs-Ni-O-Si, expected Cs10Si2NiO16 to be Cs6Si2NiO8" +mp-1213683,CsCuTeS3,-4.1432884938,-0.7187444044,0.0266752211,0.0266752211,GGA,P2_13,ABC3D_cP24_198_a_a_b_a:Cs-Cu-S-Te,24.0,ABC3D_cP24_198_a_a_b_a:Cs-Cu-S-Te +mp-560345,Cs3CuTeS9,-4.1987736398,-0.830433034,0.016345968,0.016345968,GGA,Cmce,A3BC9D_oC112_64_fg_d_f4g_f:Cs-Cu-S-Te,56.0,"Invalid WP multiplicities - A3BC9D_oC112_64_3f4g_d_4f25g_f:Cs-Cu-S-Te, expected Cs11CuTeS54 to be Cs3CuTeS9" +mp-15218,Cs2TaAgS4,-5.46099998,-1.3326327494,0.0,-0.0622536316,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-Cs-S-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-Cs-S-Ta +mp-1192080,Nd2Mn3(SbS3)4,-5.9609895605,-1.0478588889,0.026821811,0.026821811,GGA,C2/m,A3B2C12D4_mC42_12_ai_i_6i_2i:Mn-Nd-S-Sb,21.0,A3B2C12D4_mC42_12_ai_i_6i_2i:Mn-Nd-S-Sb +mp-866033,AlZnRh2,-5.7228593825,-0.7893755875,0.0,-0.0527038425,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Rh-Zn,4.0,AB2C_cF16_225_a_c_b:Al-Rh-Zn +mp-1214951,AlZn10(B4Rh9)2,-5.9252895773,-0.4567574758,0.0050873411,0.0050873411,GGA,P4/mbm,AB8C18D10_tP74_127_a_2i_h4j_3gi:Al-B-Rh-Zn,74.0,AB8C18D10_tP74_127_a_2i_h4j_3gi:Al-B-Rh-Zn +mp-761872,Na2Sn2O3,-5.33667056,-1.6932047842,0.0840329154,0.0840329154,GGA,I2_13,A2B3C2_cI28_199_a_b_a:Na-O-Sn,14.0,A2B3C2_cI28_199_a_b_a:Na-O-Sn +mp-777546,NaSnO,-4.7811727283,-1.3549107751,0.0860556229,0.0860556229,GGA,P4/nmm,ABC_tP6_129_a_c_c:Na-O-Sn,6.0,ABC_tP6_129_a_c_c:Na-O-Sn +mp-762258,Na2Sn4O9,-6.2592458967,-2.0456768028,0.0486989108,0.0486989108,GGA,P-3c1,A2B9C4_hP30_165_c_fg_2d:Na-O-Sn,30.0,"Invalid WP multiplicities - A2B9C4_hP30_165_c_6f6g_6d:Na-O-Sn, expected Na(Sn2O9)3 to be Na2Sn4O9" +mp-756229,Na(SnO2)2,-6.0985182207,-1.9373148138,0.0882103678,0.0882103678,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Na-O-Sn,14.0,AB4C2_cF56_227_a_e_d:Na-O-Sn +mp-781712,Na2SnO2,-4.999580193,-1.6899802201,0.0391794575,0.0254129657,GGA,P2_12_12_1,A2B2C_oP20_19_2a_2a_a:Na-O-Sn,20.0,"Invalid WP multiplicities - A2B2C_oP20_19_5a_5a_a:Na-O-Sn, expected Na5SnO5 to be Na2SnO2" +mp-778057,Na2SnO2,-5.0387596505,-1.7291596776,0.0,-0.0137664918,GGA,Pbcn,A2B2C_oP40_60_2cd_2d_d:Na-O-Sn,40.0,"Invalid WP multiplicities - A2B2C_oP40_60_6c2d_5d_d:Na-O-Sn, expected Na5SnO5 to be Na2SnO2" +mp-556968,RbNa3SnO4,-5.0517282656,-1.8579019708,0.0,-0.0139424822,GGA,I4_1/a,A3B4CD_tI144_88_3f_4f_f_f:Na-O-Rb-Sn,72.0,"Invalid WP multiplicities - A3B4CD_tI144_88_16f_25f_f_f:Na-O-Rb-Sn, expected RbNa16SnO25 to be RbNa3SnO4" +mp-754745,Na2SnO3,-5.6546383225,-2.0721902266,0.0012537563,-0.0789000398,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-O-Sn,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i2j_h:Na-O-Sn, expected Na2SnO6 to be Na2SnO3" +mp-761184,Na2SnO3,-5.6558920788,-2.0734439828,0.0,-0.080153796,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Sn,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e3f_9f_3e:Na-O-Sn, expected Na10(SnO6)3 to be Na2SnO3" +mp-754848,Na2SnO3,-5.6515479254,-2.0690998295,0.0043441533,-0.0758096427,GGA,Fddd,A2B3C_oF96_70_2e_fh_e:Na-O-Sn,24.0,"Invalid WP multiplicities - A2B3C_oF96_70_5e_2f2h_e:Na-O-Sn, expected Na5SnO6 to be Na2SnO3" +mp-755486,Na2SnO3,-5.6377458746,-2.0552977786,0.0181462042,-0.0620075919,GGA,P6_3/mcm,A2B3C_hP24_193_bg_k_d:Na-O-Sn,24.0,"Invalid WP multiplicities - A2B3C_hP24_193_b2g_k_d:Na-O-Sn, expected Na7(SnO3)2 to be Na2SnO3" +mp-28261,Na4SnO3,-4.6750199163,-1.6575525209,0.0,-0.0372178072,GGA,Cc,A4B3C_mC32_9_4a_3a_a:Na-O-Sn,16.0,"Invalid WP multiplicities - A4B3C_mC32_9_6a_3a_a:Na-O-Sn, expected Na6SnO3 to be Na4SnO3" +mp-1180275,Na2SnO6,-5.1518767578,-1.1146817901,0.2676141985,0.2676141985,GGA,C2/m,A2B6C_mC18_12_i_3i_a:Na-O-Sn,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_i_6i_a:Na-O-Sn, expected Na2SnO12 to be Na2SnO6" +mp-1086677,Na2SnO6,-4.8484380956,-0.8112431278000001,0.5710528607,0.5710528607,GGA,R-3,A2B6C_hR27_148_c_f_a:Na-O-Sn,9.0,A2B6C_hR27_148_c_f_a:Na-O-Sn +mp-773498,Na6Sn2O7,-5.249670938,-1.877596508,0.0726827162,0.0726827162,GGA,P2_1/c,A6B7C2_mP60_14_6e_7e_2e:Na-O-Sn,60.0,"Invalid WP multiplicities - A6B7C2_mP60_14_23e_27e_5e:Na-O-Sn, expected Na23Sn5O27 to be Na6Sn2O7" +mp-778451,Na6Sn2O7,-5.2345085777,-1.8624341477,0.0878450765,0.0878450765,GGA,C2/c,A6B7C2_mC60_15_ae2f_e3f_f:Na-O-Sn,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_2c2e7f_2e9f_f:Na-O-Sn, expected Na9SnO10 to be Na6Sn2O7" +mp-777814,Na6Sn2O7,-5.2485045313,-1.8764301014,0.0738491228,0.0738491228,GGA,C2/c,A6B7C2_mC60_15_3f_e3f_f:Na-O-Sn,30.0,"Invalid WP multiplicities - A6B7C2_mC60_15_9f_2e8f_f:Na-O-Sn, expected Na9SnO9 to be Na6Sn2O7" +mp-779703,Na4Sn5O12,-6.0657123707,-2.032463562,0.0559316571,0.0559316571,GGA,P-1,A4B12C5_aP42_2_4i_12i_5i:Na-O-Sn,42.0,"Invalid WP multiplicities - A4B12C5_aP42_2_7i_23i_9i:Na-O-Sn, expected Na7Sn9O23 to be Na4Sn5O12" +mp-530571,Na4Sn3O8,-5.8611844297,-2.0683626677,0.0120585587,0.0120585587,GGA,P4_132,A4B8C3_cP60_213_ad_ce_d:Na-O-Sn,60.0,"Invalid WP multiplicities - A4B8C3_cP60_213_4a5d_4c5e_d:Na-O-Sn, expected Na19Sn3O38 to be Na4Sn3O8" +mp-850280,Na8SnO6,-4.5925019553,-1.6411748573,0.0553106833,0.0553106833,GGA,R-3,A8B6C_hR45_148_cf_f_a:Na-O-Sn,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_2cf_f_a:Na-O-Sn, expected Na10SnO6 to be Na8SnO6" +mp-761931,Na8SnO6,-4.6430217783,-1.6916946803,0.0047908603,0.0047908603,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Na-O-Sn,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_2b9c_a3b3c_a:Na-O-Sn, expected Na31SnO16 to be Na8SnO6" +mp-2646915,Na2Sn3O7,-6.1758684348,-2.0674861739,0.0234009179,0.0234009179,GGA,Pnma,A2B7C3_oP48_62_2c_7c_3c:Na-O-Sn,48.0,A2B7C3_oP48_62_2c_7c_3c:Na-O-Sn +mp-9655,Na4SnO4,-5.0999947044,-1.8681693851,0.0,-0.0062201386,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Na-O-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Na-O-Sn +mp-555844,MnSbS2Cl,-5.574962261,-0.8924716758000001,0.0065906805,0.0065906805,GGA,Pnma,ABC2D_oP20_62_c_c_2c_c:Cl-Mn-S-Sb,20.0,"Invalid WP multiplicities - ABC2D_oP20_62_c_c_6c_c:Cl-Mn-S-Sb, expected MnSbS6Cl to be MnSbS2Cl" +mp-1227180,CaLuMn2O6,-8.2516126335,-2.7985413083,0.0265263184,0.0265263184,GGA+U,Pmc2_1,ABC2D6_oP20_26_a_b_c_ab2c:Ca-Lu-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_26_a_b_c_ab3c:Ca-Lu-Mn-O, expected CaLuMn2O8 to be CaLuMn2O6" +mp-1227258,CaLuMn2O6,-8.248537561,-2.7954662358,0.0296013909,0.0296013909,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ca-Lu-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_31_a_a_b_4a5b:Ca-Lu-Mn-O, expected CaLuMn2O14 to be CaLuMn2O6" +mp-1190713,La3FeCoS7,-6.6885113654,-1.7433855831,0.1070431887,0.1070431887,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Co-Fe-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Co-Fe-La-S +mp-1286332,Sr2Co(BrO)2,-5.7220947321,-2.3668463344,0.0063422043,-0.000811868,GGA+U,Immm,A2BC2D2_oI14_71_e_a_cd_e:Br-Co-O-Sr,28.0,A2BC2D2_tI14_139_e_a_c_e:Br-Co-O-Sr +mp-23114,Sr2Co(BrO)2,-5.7284369364,-2.3731885387,0.0,-0.0071540723,GGA+U,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Br-Co-O-Sr,28.0,A2BC2D2_tI14_139_e_a_c_e:Br-Co-O-Sr +mp-1042775,ZnCoAs2O7,-6.3938128445,-1.638074736,0.033840266,0.033840266,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Co-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Co-O-Zn +mp-1047787,Zn3Co3(AsO4)4,-6.3567881729,-1.6303390492,0.0371946987,0.0371946987,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Co-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Co-O-Zn, expected Zn3Co3(As5O29)2 to be Zn3Co3(AsO4)4" +mp-649039,Ga2Fe2Bi2O9,-6.870352976,-1.8571922342,0.0282054977,0.0282054977,GGA+U,Pbam,A2B2C2D9_oP30_55_h_f_g_aghi:Bi-Fe-Ga-O,30.0,"Invalid WP multiplicities - A2B2C2D9_oP30_55_h_f_g_2a3g3h4i:Bi-Fe-Ga-O, expected GaFeBiO15 to be Ga2Fe2Bi2O9" +mp-1225056,GaFe(BiO3)2,-6.669200026,-1.78327725,0.0463482148,0.0463482148,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Bi-Fe-Ga-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Bi-Fe-Ga-O +mp-1214726,Ba2FeBrO3,-6.5801821414,-2.4800299195,0.0309906786,0.0309906786,GGA+U,P4/nmm,A2BCD3_tP14_129_2c_c_c_cf:Ba-Br-Fe-O,14.0,"Invalid WP multiplicities - A2BCD3_tP14_129_4c_c_c_2cf:Ba-Br-Fe-O, expected Ba4FeBrO4 to be Ba2FeBrO3" +mp-1147585,Ba3Fe2BrO5,-6.7492210691,-2.2961811485,0.100189634,0.100189634,GGA+U,P4/mmm,A3BC2D5_tP11_123_ch_b_g_ai:Ba-Br-Fe-O,11.0,A3BC2D5_tP11_123_ch_b_g_ai:Ba-Br-Fe-O +mp-556428,Ba3Fe2Br2O5,-6.6701831767,-2.4588108886,0.0,-0.0621137791,GGA+U,I2_13,A3B2C2D5_cI48_199_b_a_a_ab:Ba-Br-Fe-O,24.0,A3B2C2D5_cI48_199_b_a_a_ab:Ba-Br-Fe-O +mp-568396,Ba(FeBr4)2,-4.2848359194,-1.4409046467,0.0,-0.1206833676,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Ba-Br-Fe,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_54c_7c:Ba-Br-Fe, expected BaFe7Br54 to be Ba(FeBr4)2" +mp-1046360,Ca4Ti5(TeO6)3,-7.722964201,-2.8572917315,0.1893568806,0.1893568806,GGA,C2/c,A4B18C3D5_mC120_15_2f_9f_af_e2f:Ca-O-Te-Ti,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_15_6f_35f_c2f_e4f:Ca-O-Te-Ti, expected Ca12Ti9(TeO14)5 to be Ca4Ti5(TeO6)3" +mp-1214967,Al2Cd3(GeO4)3,-6.4526774186,-2.2782189666,0.0,-0.0180976566,GGA,Ia-3d,A2B3C3D12_cI160_230_a_c_d_h:Al-Cd-Ge-O,80.0,A2B3C3D12_cI160_230_a_c_d_h:Al-Cd-Ge-O +mp-1216424,VCoNiPd,-6.7482110425,0.0398495463,0.263506385,0.263506385,GGA,R3m,ABCD_hR12_160_a_a_a_a:Co-Ni-Pd-V,4.0,ABCD_hR12_160_a_a_a_a:Co-Ni-Pd-V +mp-1216439,V6CoNi,-8.599699755,-0.1757133931,0.0005113563,0.0005113563,GGA,Pm-3,ABC6_cP8_200_a_b_f:Co-Ni-V,8.0,ABC6_cP8_200_a_b_f:Co-Ni-V +mp-1102168,VCo2Ni,-7.4691474608,-0.1989778758,0.0,-0.0032734919,GGA,R-3m,A2BC_hR36_166_h_d_bc:Co-Ni-V,12.0,A2BC_hR36_166_h_d_bc:Co-Ni-V +mp-1180754,Na3Sr4Cr5F26,-6.2875685186,-3.4273253555,0.0088767568,0.0088767568,GGA+U,P1,A5B26C3D4_aP152_1_20a_104a_12a_16a:Cr-F-Na-Sr,152.0,"Invalid WP multiplicities - A5B26C3D4_mC304_15_18f_99f_4e5f_12f:Cr-F-Na-Sr, expected Na7Sr12Cr18F99 to be Na3Sr4Cr5F26" +mp-1201930,Na3Sr4Cr5F26,-6.2878544472,-3.427611284,0.0085908282,0.0085908282,GGA+U,C2/c,A5B26C3D4_mC304_15_5f_26f_2e2f_4f:Cr-F-Na-Sr,152.0,A5B26C3D4_mC304_15_5f_26f_2e2f_4f:Cr-F-Na-Sr +mp-561198,NaSr2CrF8,-6.1261517458,-3.6556191283,0.0009539929,0.0009539929,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Cr-F-Na-Sr,48.0,"Invalid WP multiplicities - AB8CD2_mP48_14_e_30e_e_6e:Cr-F-Na-Sr, expected NaSr6CrF30 to be NaSr2CrF8" +mp-17259,NaSrCrF6,-6.1461269028,-3.4645780115,0.0,-0.0037458222,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Cr-F-Na-Sr,36.0,AB6CD_mP36_14_e_6e_e_e:Cr-F-Na-Sr +mp-14038,Rb2NaRhF6,-4.853334492,-2.6416569807,0.0,-0.066438434,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Rh +mp-1111393,CsRb2RhF6,-4.728734891,-2.5597696718,0.0179211415,0.0179211415,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Rh +mp-1110602,Rb2AgRhF6,-4.629635299,-2.2669547167,0.0,-0.0226270675,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Rh +mp-7888,Sr2HoReO6,-8.030264956,-3.0216594331,0.0729725163,0.0729725163,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ho-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ho-O-Re-Sr +mp-1209226,RbGaAgF6,-4.5288596208000005,-2.4944085205,0.0,-0.0079546569,GGA,Pnma,AB6CD_oP36_62_c_2c2d_a_c:Ag-F-Ga-Rb,36.0,AB6CD_oP36_62_c_2c2d_a_c:Ag-F-Ga-Rb +mp-1110609,Rb2GaAgF6,-4.628961162,-2.6999017644,0.0,-0.0377467163,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-Rb +mp-1113551,Rb2InHgI6,-2.462145893,-1.076482859,0.0684958417,0.0684958417,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Hg-I-In-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Hg-I-In-Rb +mp-1209464,Rb8Zr6BBr20,-4.7033096477,-1.9355829411,0.0,-0.0863024442,GGA,Fm-3m,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-Rb-Zr,35.0,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-Rb-Zr +mp-1110891,K2NaSbBr6,-3.304473741,-1.6054243003000002,0.0288073628,0.0288073628,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Sb +mp-1180804,KCoCu3Se4,-4.28342621,-0.450094803,0.1549235387,0.1549235387,GGA,P-43m,AB3CD4_cP9_215_b_c_a_e:Co-Cu-K-Se,9.0,AB3CD4_cP9_215_b_c_a_e:Co-Cu-K-Se +mp-639138,EuSeClO3,-7.213158525,-2.1395725131,0.0,-0.1005274971,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Eu-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_2c3d_c:Cl-Eu-O-Se, expected EuSeClO8 to be EuSeClO3" +mp-1111514,Na2YCuCl6,-4.350407636,-1.920212803,0.160291907,0.160291907,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-Na-Y +mp-6723,Sr3ZnIrO6,-6.4840970214,-2.4071160743,0.0,-0.006385622,GGA,R-3c,AB6C3D_hR66_167_b_f_e_a:Ir-O-Sr-Zn,22.0,AB6C3D_hR66_167_b_f_e_a:Ir-O-Sr-Zn +mp-1218538,Sr4Zn(IrO4)3,-6.7901264005,-2.0954621756,0.0,-0.0589389935,GGA,P-1,A3B12C4D_aP20_2_abe_6i_2i_h:Ir-O-Sr-Zn,20.0,"Invalid WP multiplicities - A3B12C4D_aP20_2_abe_12i_4i_h:Ir-O-Sr-Zn, expected Sr8Zn(IrO8)3 to be Sr4Zn(IrO4)3" +mp-17707,Cs3Na2SnP3,-3.2224533833,-0.3801492635,0.0,-0.0144561942,GGA,Cmce,A3B2C3D_oC72_64_fg_2d_fg_d:Cs-Na-P-Sn,36.0,"Invalid WP multiplicities - A3B2C3D_oC72_64_f2g_2d_2f2g_d:Cs-Na-P-Sn, expected Cs5Na2SnP6 to be Cs3Na2SnP3" +mp-1206466,SbPbBrO2,-5.501372352,-1.6437615395,0.0,-0.0446924266,GGA,Cmcm,AB2CD_oC20_63_c_e_c_c:Br-O-Pb-Sb,10.0,AB2CD_oC20_63_c_e_c_c:Br-O-Pb-Sb +mp-1219502,SbPbBrO2,-5.43550229,-1.5778914775,0.065870062,0.0211776354,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:Br-O-Pb-Sb,5.0,AB2CD_tI10_107_a_b_a_a:Br-O-Pb-Sb +mp-1203083,Tl3Cr4AgO14,-6.8498668245,-1.4959433118,0.0487291476,0.0487291476,GGA+U,C2/c,AB4C14D3_mC88_15_e_2f_7f_ef:Ag-Cr-O-Tl,44.0,AB4C14D3_mC88_15_e_2f_7f_ef:Ag-Cr-O-Tl +mp-1112464,K2InAgBr6,-3.165259975,-1.4529392143,0.0534641483,0.0534641483,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-Br-In-K +mp-1226870,CeY(MgNi4)2,-5.5474308267,-0.3939963426,0.0,-0.0025501917,GGA,R3m,AB2C8D_hR36_160_a_2a_2a2b_a:Ce-Mg-Ni-Y,12.0,"Invalid WP multiplicities - AB2C8D_hR36_160_a_2a_2a6b_a:Ce-Mg-Ni-Y, expected CeY(MgNi10)2 to be CeY(MgNi4)2" +mp-1022962,CeYMg6,-2.6907347937,0.0594202773,0.1189819388,0.1189819388,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Y, expected CeYMg12 to be CeYMg6" +mp-1023122,CeYMg6,-2.6856348687,0.0645202023,0.1240818638,0.1240818638,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Y +mp-1226574,CeY4Mg5,-4.051413646,-0.0713762602,0.0243304835,0.0243304835,GGA,P4/mmm,AB5C4_tP10_123_a_d2h_2g:Ce-Mg-Y,10.0,"Invalid WP multiplicities - AB5C4_tP10_123_a_d4h_3g:Ce-Mg-Y, expected Ce(Y2Mg3)3 to be CeY4Mg5" +mp-1028259,CeYMg14,-2.1468139812,0.0284035793,0.0703496149,0.0703496149,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Y, expected CeYMg18 to be CeYMg14" +mp-1028103,CeYMg14,-2.1370490788,0.0381684818,0.0801145174,0.0801145174,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Y, expected CeYMg26 to be CeYMg14" +mp-1226495,CeYMg4,-3.1689525817,-0.0355058369,0.0313190856,0.0313190856,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Mg-Y,6.0,AB4C_cF24_216_a_e_c:Ce-Mg-Y +mp-866045,CeYMg2,-3.9264601375,-0.0264300454,0.0466628262,0.0466628262,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ce-Mg-Y,4.0,AB2C_cF16_225_a_c_b:Ce-Mg-Y +mp-1226560,CeYNi4,-6.2992843567,-0.3792665253,0.0250946332,0.0250946332,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Ni-Y,6.0,AB4C_cF24_216_a_e_c:Ce-Ni-Y +mp-1203005,Cs2Ni2(MoO4)3,-7.4648258157,-1.9254419752,0.0050210909,0.0050210909,GGA+U,P2_13,A2B3C2D12_cP76_198_2a_b_2a_4b:Cs-Mo-Ni-O,76.0,A2B3C2D12_cP76_198_2a_b_2a_4b:Cs-Mo-Ni-O +mp-1200438,ErSbMo2O9,-8.1403394319,-2.3781687649,0.0185407097,0.0185407097,GGA+U,C2/c,AB2C9D_mC104_15_2e_2f_9f_f:Er-Mo-O-Sb,52.0,AB2C9D_mC104_15_2e_2f_9f_f:Er-Mo-O-Sb +mp-1374810,Mg2CoIrO6,-6.768378038,-1.8856336038,0.063143835,0.063143835,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Co-Ir-Mg-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_10e:Co-Ir-Mg-O, expected Mg2CoIrO20 to be Mg2CoIrO6" +mp-726237,Rb2TlCl5O,-3.0785891981,-1.0215799422,0.5736108342,0.5736108342,GGA,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-O-Rb-Tl,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-O-Rb-Tl +mp-1216911,TmCuPbS3,-5.4675200608,-1.3513469335,0.0,-0.0078791229,GGA,Cmc2_1,ABC3D_oC24_36_a_a_3a_a:Cu-Pb-S-Tm,12.0,"Invalid WP multiplicities - ABC3D_oC24_36_a_a_4a_a:Cu-Pb-S-Tm, expected TmCuPbS4 to be TmCuPbS3" +mp-1018640,Tm(CuS)2,-5.159639218,-0.9702095186,0.3281421635,0.3281421635,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-S-Tm,5.0,A2B2C_hP5_164_d_d_a:Cu-S-Tm +mp-1189200,TmCuS2,-5.8274159206,-1.6154304639,0.0075091387,-0.0057177114,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Cu-S-Tm,16.0,AB2C_oP16_19_a_2a_a:Cu-S-Tm +mp-12455,TmCuS2,-5.8349250594,-1.6229396026,0.0,-0.0132268501,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cu-S-Tm,16.0,AB2C_oP16_62_c_2c_c:Cu-S-Tm +mp-1216740,Tm(CuS)3,-5.2298899764,-1.0609178287,0.0,-0.0027217035,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-S-Tm,14.0,A3B3C_hR42_148_f_f_c:Cu-S-Tm +mp-554075,SmCu(MoO4)2,-8.1147075901,-2.2744906972,0.0,-0.0015411315,GGA+U,Pbca,AB2C8D_oP96_61_c_2c_8c_c:Cu-Mo-O-Sm,96.0,"Invalid WP multiplicities - AB2C8D_oP96_61_c_10c_58c_c:Cu-Mo-O-Sm, expected SmCu(Mo5O29)2 to be SmCu(MoO4)2" +mp-1213040,ErMn4(CuO4)3,-7.487406804,-1.8437235778,0.0458185846,0.0458185846,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Er-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Er-Mn-O +mp-1016596,Mg6NbGa,-2.7584874269,0.0828977434,0.1945761075,0.1945761075,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Nb, expected Mg12NbGa to be Mg6NbGa" +mp-1016680,Mg6NbGa,-2.7548494175,0.0865357528,0.1982141169,0.1982141169,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Nb, expected Mg12NbGa to be Mg6NbGa" +mp-1026553,Mg14NbGa,-2.1781797788,0.0426528314,0.1118323145,0.1118323145,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Nb, expected Mg18NbGa to be Mg14NbGa" +mp-1026526,Mg14NbGa,-2.1776011687,0.0432314414,0.1124109245,0.1124109245,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Nb, expected Mg26NbGa to be Mg14NbGa" +mp-2218975,MgNb2(GaO4)2,-7.7473415331,-2.5602190819,0.1695607762,0.1695607762,GGA,Cm,A2BC2D8_mC26_8_2a_a_2a_8a:Ga-Mg-Nb-O,13.0,A2BC2D8_mC26_8_2a_a_2a_8a:Ga-Mg-Nb-O +mp-2219082,MgNb2(GaO4)2,-7.6552075508,-2.4680850996,0.2616947585,0.2616947585,GGA,C2/m,A2BC2D8_mC26_12_i_a_i_4i:Ga-Mg-Nb-O,13.0,A2BC2D8_mC26_12_i_a_i_4i:Ga-Mg-Nb-O +mp-1046856,Nb2Zn2CrO8,-8.016146995,-2.4816351135,0.0511642308,0.0511642308,GGA+U,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Cr-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_3a_13a_3a:Cr-Nb-O-Zn, expected Nb3Zn3CrO13 to be Nb2Zn2CrO8" +mp-1377373,Ca2TaCoO6,-8.1590055655,-2.8932628202,0.0372705601,0.0372705601,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Co-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Ca-Co-O-Ta, expected Ca3TaCoO18 to be Ca2TaCoO6" +mp-1046181,Ca2Ta2CoO8,-8.7747455235,-3.0510084077,0.0962561454,0.0962561454,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Ca-Co-O-Ta,52.0,A2BC8D2_mC52_15_f_e_4f_f:Ca-Co-O-Ta +mp-1366347,CaTa2CoO7,-8.9809933467,-2.8486029909,0.2352104172,0.2352104172,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Co-O-Ta,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_3e_2e_17e_7e:Ca-Co-O-Ta, expected Ca3Ta7Co2O17 to be CaTa2CoO7" +mp-6449,CdCu2SiS4,-4.6474836544,-0.7609310797000001,0.0,-0.0146654112,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cd-Cu-S-Si,16.0,"Invalid WP multiplicities - AB2C4D_oP16_31_a_b_3a2b_a:Cd-Cu-S-Si, expected CdCu2SiS7 to be CdCu2SiS4" +mp-641065,HoMn4(CuO4)3,-7.489277888,-1.8448601588,0.0439479756,0.0439479756,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Ho-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Ho-Mn-O +mp-1210829,Lu2Be2SiO7,-8.3115682904,-3.5971628089000003,0.0135850669,0.0135850669,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Lu-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Lu-O-Si +mp-1191860,Co2Ir(NCl)10,-4.9087445157000005,0.5219244243,0.9448335913,0.9448335913,GGA,C2/m,A10B2CD10_mC46_12_g4i_i_a_i2j:Cl-Co-Ir-N,23.0,A10B2CD10_mC46_12_g4i_i_a_i2j:Cl-Co-Ir-N +mp-1247086,Co4IrN4,-7.6169471183,0.2294623328,0.2951358794,0.2951358794,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Co-Ir-N,18.0,A4BC4_aP18_2_4i_i_4i:Co-Ir-N +mp-1114087,Cs2NaTaF6,-5.604559229,-2.9605610817,0.0933200989,0.0933200989,GGA,Immm,A2B6CD_oI20_71_f_el_a_b:Cs-F-Na-Ta,10.0,"Invalid WP multiplicities - A2B6CD_oI20_71_f_e2l_a_b:Cs-F-Na-Ta, expected Cs2NaTaF10 to be Cs2NaTaF6" +mp-1112572,Cs2LiPdF6,-4.50403536,-2.4691870374,0.0869505926,0.0869505926,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Pd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Pd +mp-685290,Sr5Fe3F19,-6.0702580226,-3.4711605678,0.0642550069,0.0642550069,GGA+U,P1,A19B3C5_aP54_1_38a_6a_10a:F-Fe-Sr,54.0,A19B3C5_aP54_1_38a_6a_10a:F-Fe-Sr +mp-1173207,Sr5Fe3F19,-6.1134783569,-3.5143809021,0.0210346727,0.0210346727,GGA+U,P1,A19B3C5_aP54_1_38a_6a_10a:F-Fe-Sr,54.0,A19B3C5_aP54_1_38a_6a_10a:F-Fe-Sr +mp-1208841,Sr2FeAs2F,-4.10058251,-0.2541285276,1.3851788408,1.3851788408,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:As-F-Fe-Sr,6.0,A2BCD2_tP6_123_g_a_b_g:As-F-Fe-Sr +mp-27338,SrFeF5,-6.1529332532,-3.336231896,0.0,-0.0144795135,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Fe-Sr,56.0,A5BC_mP56_14_10e_2e_2e:F-Fe-Sr +mp-20807,SrFeAsF,-5.8657878125,-1.6832598035,0.2378516512,0.2378516512,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:As-F-Fe-Sr,8.0,ABCD_tP8_129_c_a_b_c:As-F-Fe-Sr +mp-29757,FeAs4F18,-5.1478779446,-2.4733946296,0.0,-0.0019122173,GGA+U,P2_1/c,A4B18C_mP46_14_ace_9e_b:As-F-Fe,46.0,"Invalid WP multiplicities - A4B18C_mP46_14_ac2e_10e_b:As-F-Fe, expected FeAs6F20 to be FeAs4F18" +mp-558211,Cs2NaCoF6,-4.883175574,-2.7141234102,0.0,-0.0469462638,GGA+U,R-3m,AB2C6D_hR60_166_ab_2c_2h_c:Co-Cs-F-Na,20.0,"Invalid WP multiplicities - AB2C6D_hR60_166_ab_4c_8h_c:Co-Cs-F-Na, expected Cs4NaCoF24 to be Cs2NaCoF6" +mp-1112377,K2TaCuCl6,-4.496808656,-1.5699084406,0.2595276243,0.2595276243,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Ta +mp-557230,Na2CrCoF7,-5.8520781672,-2.8714628377,0.0026227858,0.0026227858,GGA+U,C2/c,ABC7D2_mC176_15_2f_cef_14f_abde2f:Co-Cr-F-Na,88.0,"Invalid WP multiplicities - ABC7D2_mC176_15_3f_2a2e3f_54f_2b2cd2e6f:Co-Cr-F-Na, expected Na19Cr10Co6F108 to be Na2CrCoF7" +mp-1214222,Ca3Al2(GeO4)3,-7.290421048,-2.953556078,0.0,-0.0336684907,GGA,Ia-3d,A2B3C3D12_cI160_230_a_c_d_h:Al-Ca-Ge-O,80.0,A2B3C3D12_cI160_230_a_c_d_h:Al-Ca-Ge-O +mp-3862,Ca(AlGe)2,-4.139420586,-0.390859136,0.0,-0.101517138,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ca-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Ca-Ge +mp-10670,Ca3(AlGe)2,-3.7706457114,-0.5200732814,0.0004673943,0.0004673943,GGA,Immm,A2B3C2_oI14_71_e_af_f:Al-Ca-Ge,7.0,A2B3C2_oI14_71_e_af_f:Al-Ca-Ge +mp-27997,Ca3Al2Ge3,-3.9552037806,-0.5330744225,0.0,-0.0091844778,GGA,Pnma,A2B3C3_oP32_62_2c_3c_3c:Al-Ca-Ge,32.0,A2B3C3_oP32_62_2c_3c_3c:Al-Ca-Ge +mp-570487,Ca10(Al2Ge3)3,-3.9049639708,-0.5394957918000001,0.000334738,0.000334738,GGA,R-3m,A6B10C9_hR150_166_2h_abfgh_3h:Al-Ca-Ge,50.0,"Invalid WP multiplicities - A6B10C9_hR150_166_7h_ab4f6g4h_14h:Al-Ca-Ge, expected Ca43(AlGe2)21 to be Ca10(Al2Ge3)3" +mp-1113854,Rb2TlRuF6,-4.890747956,-2.3840491923,0.0052477924,0.0052477924,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ru-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ru-Tl +mp-755723,Er2Pb2O7,-7.2018009886,-2.5483871033,0.0054545995,0.0054545995,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Er-O-Pb, expected ErPbO10 to be Er2Pb2O7" +mp-16993,Er2SiO5,-8.7238094725,-3.8120345717,0.0254304506,0.0008110781,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Er-O-Si,32.0,A2B5C_mP32_14_2e_5e_e:Er-O-Si +mp-555983,Er2SiO5,-8.7492399231,-3.8374650223,0.0,-0.0246193725,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:Er-O-Si,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_4f_19f_f:Er-O-Si, expected Er4SiO19 to be Er2SiO5" +mp-1226117,Er2Si2PbO8,-8.1255388113,-3.2584441621,0.1033126112,0.1033126112,GGA,P3,A2B8CD2_hP39_143_2d_8d_2ab_2d:Er-O-Pb-Si,39.0,A2B8CD2_hP39_143_2d_8d_2ab_2d:Er-O-Pb-Si +mp-7064,Er2Si2O7,-8.6662852445,-3.7014766392,0.0,-0.0193115077,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:Er-O-Si,11.0,A2B7C2_mC22_12_h_aij_i:Er-O-Si +mp-7624,Er2Si2O7,-8.6632023005,-3.6983936951,0.0030829441,-0.0162285636,GGA,P2_1/c,A2B7C2_mP22_14_e_a3e_e:Er-O-Si,22.0,A2B7C2_mP22_14_e_a3e_e:Er-O-Si +mp-1186847,PuPa3,-10.3219097675,0.38104831,0.38104831,0.38104831,GGA,I4/mmm,A3B_tI8_139_ad_b:Pa-Pu,4.0,A3B_tI8_139_ad_b:Pa-Pu +mp-1219665,PuPaO4,-11.241056575,-3.9795136025,0.0,-0.1375332267,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Pu,6.0,A4BC_tP6_123_i_a_d:O-Pa-Pu +mp-675479,PuPaO4,-11.2358463642,-3.9743033917,0.0052102108,-0.1323230158,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Pu,12.0,A4BC_tI24_141_f_a_b:O-Pa-Pu +mp-1205886,Ba2PuPaO6,-9.286396204,-3.5563376903,0.0,-0.038917987,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Pu,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Pu +mp-1211936,K5Ta(TlAs2)2,-3.8497874644,-0.4521597745,0.0,-0.062533992,GGA,Pnma,A4B5CD2_oP48_62_2cd_c2d_c_2c:As-K-Ta-Tl,48.0,A4B5CD2_oP48_62_2cd_c2d_c_2c:As-K-Ta-Tl +mp-1113651,Rb2TlCrF6,-5.419651803,-2.8750885463,0.001023638,0.001023638,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-Rb-Tl +mp-1217373,ThNb4O12,-9.5199784206,-3.2153111885,0.0551306874,0.0551306874,GGA,Pmm2,A4B12C_oP17_25_ef_abcd2i_a:Nb-O-Th,17.0,"Invalid WP multiplicities - A4B12C_oP17_25_2ef_abcd2i_a:Nb-O-Th, expected ThNb6O12 to be ThNb4O12" +mp-859120,ThNb4O12,-9.5206728729,-3.2160056409,0.054436235,0.054436235,GGA,Pmmn,A4B12C_oP34_59_2e_abe2g_a:Nb-O-Th,34.0,"Invalid WP multiplicities - A4B12C_oP34_59_5e_2a2b3e12g_a:Nb-O-Th, expected ThNb10O58 to be ThNb4O12" +mp-862893,ThNb4O12,-9.547625452,-3.2429582199,0.027483656,0.027483656,GGA,Immm,A4B12C_oI102_71_2e2n_abeghn3o_cg:Nb-O-Th,51.0,"Invalid WP multiplicities - A4B12C_oI102_71_4e4n_abe2g2h2n10o_cg:Nb-O-Th, expected Th3Nb24O100 to be ThNb4O12" +mp-757953,ThNb4O12,-9.5013517753,-3.1966845432,0.0737573327,0.0737573327,GGA,I4/mmm,A4B12C_tI34_139_g_cdm_a:Nb-O-Th,17.0,"Invalid WP multiplicities - A4B12C_tI34_139_g_2c2d4m_a:Nb-O-Th, expected ThNb4O40 to be ThNb4O12" +mp-1187063,Th3Nb,-7.8230286575,0.26269129,0.26269129,0.26269129,GGA,P6_3/mmc,AB3_hP8_194_c_h:Nb-Th,8.0,AB3_hP8_194_c_h:Nb-Th +mp-1227121,CaThNb2O8,-9.2831863967,-3.5168882383,0.0040588031,0.0040588031,GGA,C2,AB2C8D_mC24_5_a_ab_4c_b:Ca-Nb-O-Th,12.0,"Invalid WP multiplicities - AB2C8D_mC24_5_a_ab_6c_b:Ca-Nb-O-Th, expected CaThNb2O12 to be CaThNb2O8" +mp-1207585,Zn10Cu(B4Rh9)2,-5.8784329647,-0.4003432729,0.002440842,0.002440842,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Cu-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Cu-Rh-Zn +mp-1096553,Zn2CuRh,-1.829300735,1.666449705,1.942879305,1.9286679487,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Rh-Zn,4.0,ABC2_oI8_71_a_b_e:Cu-Rh-Zn +mp-1187800,Zn2CuRh,-3.77218004,-0.2764296,0.0,-0.0142113563,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Cu-Rh-Zn +mp-1112885,Cs2CuMoI6,-3.454679483,-0.8970935206,0.151300379,0.151300379,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Mo,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-I-Mo +mp-866058,LiGd2Ru,-10.071856355,-0.2379638833,0.0,-0.1417221058,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Li-Ru +mp-1211045,LiGd2RuO6,-9.6947403955,-2.7931701801,0.0237154346,0.0237154346,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Gd-Li-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Gd-Li-O-Ru +mp-1208599,SrLiTiF6,-6.2794058472,-3.7279856093,0.0181101917,0.0181101917,GGA,P-31c,A6BCD_hP18_163_i_c_b_d:F-Li-Sr-Ti,18.0,A6BCD_hP18_163_i_c_b_d:F-Li-Sr-Ti +mp-7127,Ba2YbTaO6,-7.976255351,-3.2847085453,0.0,-0.0159912793,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Yb +mp-15500,Sr4TiP4,-5.1498476854,-1.1157725902,0.0,-0.041925011,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:P-Sr-Ti,72.0,A4B4C_cP72_218_ei_ei_ac:P-Sr-Ti +mp-1221155,Na4Sr2TiP4,-4.2406798595,-0.7663353028000001,0.0,-0.021098885,GGA,Cc,A4B4C2D_mC44_9_4a_4a_2a_a:Na-P-Sr-Ti,22.0,"Invalid WP multiplicities - A4B4C2D_mC44_9_7a_7a_4a_a:Na-P-Sr-Ti, expected Na7Sr4TiP7 to be Na4Sr2TiP4" +mp-1048836,CaHo(SnO3)2,-7.141876767,-2.7131482942,0.1295199029,0.1295199029,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ca-Ho-O-Sn,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ca-Ho-O-Sn, expected CaHo(SnO6)2 to be CaHo(SnO3)2" +mp-1225644,Dy2Mn(GeO3)4,-7.7308643111,-2.666234578,0.0,-0.0062801315,GGA+U,Cmme,A2B4CD12_oC76_67_ac_o_e_mn2o:Dy-Ge-Mn-O,38.0,"Invalid WP multiplicities - A2B4CD12_oC76_67_ac_o_e_2m3n9o:Dy-Ge-Mn-O, expected Dy2Mn(Ge2O23)2 to be Dy2Mn(GeO3)4" +mp-1191739,Sm3GaCoS7,-6.1984777096,-1.7612009354,0.0390967847,0.0390967847,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-S-Sm,24.0,ABC7D3_hP24_173_a_b_b2c_c:Co-Ga-S-Sm +mp-1042811,Nb2Zn2SnO8,-7.5010881892,-2.4006898165,0.0523198665,0.0523198665,GGA,C2/c,A2B8CD2_mC52_15_f_4f_e_f:Nb-O-Sn-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Nb-O-Sn-Zn, expected Nb2Zn2SnO10 to be Nb2Zn2SnO8" +mp-862802,CsNpCuS3,-6.4972004683,-1.4385774143,0.0,-0.162734945,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cs-Cu-Np-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_2c3f:Cs-Cu-Np-S, expected CsNpCuS8 to be CsNpCuS3" +mp-1247438,LaMg2Cr3S8,-6.3782745257,-1.3648953436,0.1064408393,0.1064408393,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-La-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c2h:Cr-La-Mg-S, expected LaMg2Cr3S16 to be LaMg2Cr3S8" +mp-1026786,LaMg14Cr,-2.2271646681,0.0848962866,0.1316944714,0.1316944714,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-La-Mg, expected LaMg18Cr to be LaMg14Cr" +mp-1026750,LaMg14Cr,-2.2108699137,0.1011910409,0.1479892257,0.1479892257,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-La-Mg, expected LaMg26Cr to be LaMg14Cr" +mp-1246738,La3Mg2CrS8,-6.1619834571,-1.8224671843,0.1766267804,0.1766267804,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-La-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c3h:Cr-La-Mg-S, expected La3Mg2CrS22 to be La3Mg2CrS8" +mp-1017481,LaMg6Cr,-2.8433849731,0.1804568862,0.2543461909,0.2543461909,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-La-Mg, expected LaMg12Cr to be LaMg6Cr" +mp-1247290,LaMgCrS4,-6.2313650936,-1.5549173661,0.1822804129,0.1822804129,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-La-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Cr-La-Mg-S, expected LaMgCrS12 to be LaMgCrS4" +mp-1210576,Nd3Sc2(FeO4)3,-8.681854723,-3.0948692894,0.0,-0.0196182751,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Fe-Nd-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Fe-Nd-O-Sc +mp-28108,Na4SnTe4,-3.3161912708,-0.8858694262000001,0.0,-0.0090777308,GGA,P2_12_12_1,A4BC4_oP36_19_4a_a_4a:Na-Sn-Te,36.0,A4BC4_oP36_19_4a_a_4a:Na-Sn-Te +mp-10349,Na2SnTeO6,-5.8129961355,-1.8651900752,0.0380327309,0.0380327309,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Na-O-Sn-Te,20.0,A2B6CD_mP20_14_e_3e_a_b:Na-O-Sn-Te +mp-7015,CsCeS2,-5.7847371,-2.0093892848,0.0,-0.1315845963,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Cs-S,4.0,ABC2_hR12_166_a_b_c:Ce-Cs-S +mp-1194418,CsCeSiS4,-5.8154472754,-1.7012174147,0.0,-0.0563250686,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ce-Cs-S-Si,28.0,ABC4D_oP28_62_c_c_2cd_c:Ce-Cs-S-Si +mp-1026518,Mg14GaMo,-2.1850441138,0.0823100633,0.1356073943,0.1356073943,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Mo, expected Mg18GaMo to be Mg14GaMo" +mp-1026477,Mg14GaMo,-2.1964711106,0.0708830664,0.1241803974,0.1241803974,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Mo, expected Mg26GaMo to be Mg14GaMo" +mp-1016642,Mg6GaMo,-2.7943817519,0.1400465522,0.2199606122,0.2199606122,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Mo, expected Mg12GaMo to be Mg6GaMo" +mp-1016661,Mg6GaMo,-2.785766925,0.1486613791,0.228575439,0.228575439,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Mo, expected Mg12GaMo to be Mg6GaMo" +mp-1246689,MgGaMoS4,-5.5677076529,-0.9934468457,0.2588762632,0.2588762632,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Ga-Mg-Mo-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Ga-Mg-Mo-S, expected MgGaMoS12 to be MgGaMoS4" +mp-1246565,Mg2GaMo3S8,-6.0683333529,-0.9356758252,0.3244898896,0.3244898896,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Ga-Mg-Mo-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Ga-Mg-Mo-S, expected Mg2GaMo3S16 to be Mg2GaMo3S8" +mp-1247053,Mg2Ga3MoS8,-5.05717032,-1.0413062334,0.1781988147,0.1781988147,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Ga-Mg-Mo-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Ga-Mg-Mo-S, expected Mg2Ga3MoS22 to be Mg2Ga3MoS8" +mp-1247745,Lu2FeCoO6,-8.2161449105,-2.7861076793,0.0122192386,0.0122192386,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Co-Fe-Lu-O,20.0,"Invalid WP multiplicities - ABC2D6_aP20_2_ah_be_4i_12i:Co-Fe-Lu-O, expected Lu4FeCoO12 to be Lu2FeCoO6" +mp-1043721,MgSnBiO5,-6.2808652381,-2.0078921642,0.1197811796,0.1197811796,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-Sn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-Sn, expected MgSnBiO15 to be MgSnBiO5" +mp-1042377,MgSnBiO5,-6.2902075344,-2.0172344605,0.1104388833,0.1104388833,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-Sn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-Sn, expected MgSnBiO31 to be MgSnBiO5" +mp-1021372,Mg6SnBi,-2.2429916769,-0.0615240163,0.0848896231,0.0848896231,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Sn, expected Mg12SnBi to be Mg6SnBi" +mp-1021377,Mg6SnBi,-2.2314137406,-0.04994608,0.0964675594,0.0964675594,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Sn, expected Mg12SnBi to be Mg6SnBi" +mp-1098344,Mg30SnBiO32,-6.1648229675,-2.8186901355,0.1458834439,0.1458834439,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Sn, expected Mg90SnBiO80 to be Mg30SnBiO32" +mp-1098347,Mg30SnBiO32,-6.1721451786,-2.8260123466,0.1385612328,0.1385612328,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Sn, expected Mg110SnBiO72 to be Mg30SnBiO32" +mp-1034348,Mg14SnBiO16,-6.0116999581,-2.5929186748,0.2821881847,0.2821881847,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Sn, expected Mg18SnBiO20 to be Mg14SnBiO16" +mp-1034175,Mg14SnBiO16,-6.0228824572,-2.6041011739,0.2710056856,0.2710056856,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Sn, expected Mg30SnBiO32 to be Mg14SnBiO16" +mp-2227371,MgSnBiO4,-6.0454938486,-1.8687658657,0.3323808877,0.3323808877,GGA,Imm2,ABC4D_oI14_44_b_a_2a2b_a:Bi-Mg-O-Sn,7.0,ABC4D_mC14_8_a_a_4a_a:Bi-Mg-O-Sn +mp-2227886,MgSnBiO4,-5.9435935571,-1.7668655743,0.4342811791,0.4342811791,GGA,I-4m2,ABC4D_tI14_119_a_b_ef_c:Bi-Mg-O-Sn,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_b_e2f_c:Bi-Mg-O-Sn, expected MgSnBiO6 to be MgSnBiO4" +mp-2228013,MgSnBiO4,-5.9098717957,-1.7331438129,0.4680029405,0.4680029405,GGA,I-4m2,ABC4D_tI14_119_c_a_ef_b:Bi-Mg-O-Sn,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_c_a_2ef_b:Bi-Mg-O-Sn, expected MgSnBiO6 to be MgSnBiO4" +mp-1031378,Mg6SnBiO8,-5.7632059712,-2.1991277853,0.4970456344,0.4970456344,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Sn, expected Mg6SnBiO12 to be Mg6SnBiO8" +mp-1031414,Mg6SnBiO8,-5.8304966,-2.2664184141,0.4297550056,0.4297550056,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Sn, expected Mg6SnBiO12 to be Mg6SnBiO8" +mp-1026648,Mg14SnBi,-1.9180408731,-0.0271670178,0.0596673768,0.0596673768,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Sn, expected Mg18SnBi to be Mg14SnBi" +mp-1026625,Mg14SnBi,-1.9274245525,-0.0365506972,0.0502836975,0.0502836975,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Sn, expected Mg26SnBi to be Mg14SnBi" +mp-1112063,K2SmAuCl6,-4.116795721,-1.9863471221,0.1605458569,0.1605458569,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sm,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Sm +mp-1113668,Rb2NaRuF6,-5.032314954,-2.6296279757,0.0,-0.0459899633,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ru +mp-680696,Nb3TlVCl11,-5.4908789014,-1.6106059266,0.0464517494,0.0464517494,GGA,Pnma,A11B3CD_oP64_62_5c3d_cd_c_c:Cl-Nb-Tl-V,64.0,"Invalid WP multiplicities - A11B3CD_oP64_62_20c19d_3c3d_c_c:Cl-Nb-Tl-V, expected Nb9TlVCl58 to be Nb3TlVCl11" +mp-1206817,TlVCl3,-4.865086014,-1.4666541747,0.000823192,0.000823192,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Tl-V,10.0,A3BC_hP10_194_h_c_a:Cl-Tl-V +mp-568478,Nb6Tl2VCl18,-5.5988267011,-1.6102829054,0.023889088,0.023889088,GGA,R-3,A18B6C2D_hR81_148_3f_f_c_a:Cl-Nb-Tl-V,27.0,"Invalid WP multiplicities - A18B6C2D_hR81_148_16f_f_c_a:Cl-Nb-Tl-V, expected Nb6Tl2VCl96 to be Nb6Tl2VCl18" +mp-1023395,Mg6AlSn,-2.1817777944,-0.0121742962,0.0750014758,0.0750014758,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Sn, expected Mg12AlSn to be Mg6AlSn" +mp-1023398,Mg6AlSn,-2.1894671275,-0.0198636294,0.0673121427,0.0673121427,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Sn, expected Mg12AlSn to be Mg6AlSn" +mp-1028234,Mg14AlSn,-1.8889896319,-0.0040478578,0.0531676032,0.0531676032,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Sn, expected Mg18AlSn to be Mg14AlSn" +mp-1028255,Mg14AlSn,-1.9136236,-0.0286818259,0.0285336351,0.0285336351,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Sn, expected Mg26AlSn to be Mg14AlSn" +mp-1340379,AlSnO3,-6.956433518,-2.4373907542,0.2354362421,0.2354362421,GGA,P2_1/c,AB3C_mP20_14_e_3e_ad:Al-O-Sn,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_2a2d:Al-O-Sn, expected AlSn2O9 to be AlSnO3" +mp-1248301,AlSnO3,-6.7619135507,-2.2428707869,0.4299562095,0.4299562095,GGA,P6_3cm,AB3C_hP30_185_ab_ab2c_c:Al-O-Sn,30.0,AB3C_hP30_185_ab_ab2c_c:Al-O-Sn +mp-1406914,AlSnO3,-6.533496764,-2.0144540003,0.6583729961,0.6583729961,GGA,P6_3/mmc,AB3C_hP10_194_a_bf_c:Al-O-Sn,10.0,AB3C_hP10_194_a_bf_c:Al-O-Sn +mp-1426094,AlSnO3,-5.873238904,-1.3541961402,1.3186308561,1.3186308561,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-Sn,5.0,AB3C_cP5_221_a_c_b:Al-O-Sn +mp-1384087,Al(SnO2)2,-6.3926306857,-1.8852772021,0.4905574296,0.4905574296,GGA,C2/c,AB4C2_mC28_15_e_2f_ac:Al-O-Sn,14.0,AB4C2_mC28_15_e_2f_ac:Al-O-Sn +mp-1444267,Al(SnO2)2,-6.5055772493,-1.9982237657,0.377610866,0.377610866,GGA,R-3m,AB4C2_hR42_166_c_ch_ad:Al-O-Sn,14.0,"Invalid WP multiplicities - AB4C2_hR42_166_c_2c2h_a2d:Al-O-Sn, expected Al2Sn7O16 to be Al(SnO2)2" +mp-1255006,Al(SnO2)2,-6.457008615,-1.9496551314,0.4261795003,0.4261795003,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Al-O-Sn,14.0,AB4C2_cF56_227_a_e_d:Al-O-Sn +mp-1260244,Al2Sn2O7,-6.7195978259,-2.1616781578,0.5461903082,0.5461903082,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Al-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Al-O-Sn +mp-1185711,Mg16Al12Sn,-2.5947754355,-0.0237077591,0.0190346766,0.0190346766,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Sn,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Sn, expected Mg26Al20Sn to be Mg16Al12Sn" +mp-1185709,Mg16Al12Sn,-2.5905990817,-0.0195314053,0.0232110303,0.0232110303,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Sn,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a9b5c_a:Al-Mg-Sn, expected Mg58Al48Sn to be Mg16Al12Sn" +mp-1185710,Mg16Al12Sn,-2.5798723424,-0.008804666,0.0339377697,0.0339377697,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Sn,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Sn, expected Mg60Al12Sn to be Mg16Al12Sn" +mp-1038224,Mg30AlSnO32,-6.2672461773,-2.9225963657,0.1028936437,0.1028936437,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Sn, expected Mg110AlSnO72 to be Mg30AlSnO32" +mp-1038258,Mg30AlSnO32,-6.2731764144,-2.9285266027,0.0969634067,0.0969634067,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Sn, expected Mg90AlSnO80 to be Mg30AlSnO32" +mp-1232293,Mg(AlSn)2,-3.345822944,0.07629214,0.1324597665,0.1324597665,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Mg-Sn,5.0,A2BC2_hP5_164_d_a_d:Al-Mg-Sn +mp-1033141,Mg6AlSnO8,-6.0278931025,-2.4697469978,0.4700921417,0.4700921417,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Sn, expected Mg6AlSnO12 to be Mg6AlSnO8" +mp-1033157,Mg6AlSnO8,-6.1025457144,-2.5443996097,0.3954395298,0.3954395298,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Sn, expected Mg6AlSnO12 to be Mg6AlSnO8" +mp-1185747,Mg17Al11Sn,-2.5252399907000003,-0.0281480309,0.0152862677,0.0152862677,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Sn,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Sn, expected Mg27Al19Sn to be Mg17Al11Sn" +mp-1036646,Mg14AlSnO16,-6.2114053581,-2.7955901155,0.201349604,0.201349604,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Sn, expected Mg18AlSnO20 to be Mg14AlSnO16" +mp-1036582,Mg14AlSnO16,-6.19511183,-2.7792965873,0.2176431321,0.2176431321,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Sn, expected Mg30AlSnO32 to be Mg14AlSnO16" +mp-1112164,K2ErCuCl6,-4.309312655,-2.1114183216,0.0573327364,0.0573327364,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-K,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Cu-Er-K +mp-14416,Sm2Be2GeO7,-7.9406844454,-3.2601972093,0.0,-0.0403378619,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Sm,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_ce2f_e:Be-Ge-O-Sm, expected Sm2Be2GeO11 to be Sm2Be2GeO7" +mp-1188108,Sr2DyRuO6,-7.553885879,-2.8598550236,0.0,-0.018590373,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Dy-O-Ru-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Dy-O-Ru-Sr +mp-1208619,SrLiGaF6,-5.4824791794,-3.4718807186,0.0,-0.0340868476,GGA,P-31c,A6BCD_hP18_163_i_c_d_b:F-Ga-Li-Sr,18.0,A6BCD_hP18_163_i_c_d_b:F-Ga-Li-Sr +mp-16560,KEr2CuSe4,-5.2692255375,-1.728139394,0.0,-0.0644614183,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Er-K-Se,16.0,AB2CD4_oC32_63_c_f_c_acf:Cu-Er-K-Se +mp-1192275,KEr2Cu3Se5,-4.9646901277,-1.3262343127,0.0037695343,0.0037695343,GGA,Cmcm,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Er-K-Se,22.0,A3B2CD5_oC44_63_cf_f_c_c2f:Cu-Er-K-Se +mp-1210087,NaEr(Pd3O4)2,-6.2312217187,-1.4472814279,0.0,-0.026537133,GGA,Pm-3,ABC8D6_cP16_200_a_b_i_f:Er-Na-O-Pd,16.0,ABC8D6_cP16_200_a_b_i_f:Er-Na-O-Pd +mp-1193503,Eu5Cd2Sb5O,-7.2962930638,-1.2407174153,0.0,-0.0448852553,GGA,Cmcm,A2B5CD5_oC52_63_f_a2cf_c_c2f:Cd-Eu-O-Sb,26.0,A2B5CD5_oC52_63_f_a2cf_c_c2f:Cd-Eu-O-Sb +mp-1183878,EuCdO3,-6.894096038,-1.6901044992,0.448619821,0.448619821,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-Eu-O,5.0,ABC3_cP5_221_b_a_c:Cd-Eu-O +mp-976284,EuSbO3,-8.157579888,-2.3123660532,0.2146479885,0.2146479885,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Sb,5.0,AB3C_cP5_221_a_c_b:Eu-O-Sb +mp-505043,Eu3Sb5O12,-7.8938720038,-2.355058197,0.0,-0.0414584517,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Eu-O-Sb,40.0,A3B12C5_cI80_217_d_2g_ce:Eu-O-Sb +mp-1078192,Eu4Sb2O,-9.4914713771,-1.7439430355,0.0,-0.0568038941,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Eu-O-Sb,7.0,A4BC2_tI14_139_ce_a_e:Eu-O-Sb +mp-510637,EuSbO4,-8.2016736492,-2.5062140017,0.0,-0.0813290258,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Eu-O-Sb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Eu-O-Sb, expected EuSbO11 to be EuSbO4" +mp-1212908,Eu3SbO7,-9.1992140468,-2.8785933542,0.0002994568,-0.0637627747,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Eu-O-Sb,22.0,"Invalid WP multiplicities - A3B7C_oC44_63_ag_3c2h_b:Eu-O-Sb, expected Eu3SbO11 to be Eu3SbO7" +mp-1190831,Eu3SbO7,-9.1995135036,-2.878892811,0.0,-0.0640622315,GGA,Cmcm,A3B7C_oC44_63_ag_3ch_b:Eu-O-Sb,22.0,A3B7C_oC44_63_ag_3ch_b:Eu-O-Sb +mp-861588,Pr2CuRu,-5.868931235,-0.135076055,0.0413329063,0.0413329063,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Pr-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Pr-Ru +mp-1105109,PrCu3(RuO3)4,-7.226798737,-1.549978714,0.0399015336,0.0399015336,GGA,Im-3,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Pr-Ru,20.0,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Pr-Ru +mp-1210014,Nd2BeGa2O7,-7.5452081662,-3.0486481034,0.0420007624,0.0420007624,GGA,P-42_1m,AB2C2D7_tP24_113_a_e_e_cef:Be-Ga-Nd-O,24.0,AB2C2D7_tP24_113_a_e_e_cef:Be-Ga-Nd-O +mp-1234403,CaEr4Zr4O14,-8.3737177309,-2.9945473136,0.8321687973,0.8321687973,GGA,P2/m,AB4C14D4_mP23_10_b_adn_3m4n_cgn:Ca-Er-O-Zr,,"Invalid WP multiplicities - AB4C14D4_mP23_10_b_ag2n_6m7n_cdn:Ca-Er-O-Zr, expected CaEr6Zr4O26 to be CaEr4Zr4O14" +mp-1233281,CaEr4Zr4O14,-8.9165008935,-3.5373304762,0.2893856347,0.2893856347,GGA,Pmm2,AB4C14D4_oP23_25_a_acf_3b3d4e_acf:Ca-Er-O-Zr,23.0,"Invalid WP multiplicities - AB4C14D4_oP23_25_a_ac2f_3b3d6e_acf:Ca-Er-O-Zr, expected CaEr6Zr4O18 to be CaEr4Zr4O14" +mp-1233325,CaEr4Zr4O14,-8.8388344061,-3.4596639888,0.3670521221,0.3670521221,GGA,Pmm2,AB4C14D4_oP23_25_a_bde_3a3c4f_bde:Ca-Er-O-Zr,23.0,"Invalid WP multiplicities - AB4C14D4_oP23_25_a_bd2e_3a3c6f_bde:Ca-Er-O-Zr, expected CaEr6Zr4O18 to be CaEr4Zr4O14" +mp-1233516,CaEr4Zr4O14,-8.8856222113,-3.506451794,0.3202643169,0.3202643169,GGA,Pmm2,AB4C14D4_oP23_25_a_acf_3b3d4e_acf:Ca-Er-O-Zr,23.0,"Invalid WP multiplicities - AB4C14D4_oP23_25_a_ac2f_3b3d6e_acf:Ca-Er-O-Zr, expected CaEr6Zr4O18 to be CaEr4Zr4O14" +mp-18651,Sr3DyRhO6,-7.1770921873,-2.9298460657,0.0,-0.035838958,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Dy-O-Rh-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Dy-O-Rh-Sr +mp-1212884,DyRhO3,-7.946916541,-2.5846843723,0.0,-0.0305507407,GGA,Pnma,AB3C_oP20_62_c_cd_a:Dy-O-Rh,20.0,AB3C_oP20_62_c_cd_a:Dy-O-Rh +mp-1183821,DyRhO3,-7.377436208,-2.0152040393,0.569480333,0.5389295923,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Dy-O-Rh,5.0,AB3C_cP5_221_a_c_b:Dy-O-Rh +mp-1214605,Ba6Dy2Ga4O15,-6.9638017780000006,-2.9993522195,0.0,-0.0231518228,GGA,P2/c,A6B2C4D15_mP54_13_ef2g_g_2g_e7g:Ba-Dy-Ga-O,54.0,A6B2C4D15_mP54_13_ef2g_g_2g_e7g:Ba-Dy-Ga-O +mp-568379,KInSnSe4,-4.067899572,-0.9457137944,0.0,-0.0140844945,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:In-K-Se-Sn,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_5e_6e_30e_6e:In-K-Se-Sn, expected K6In5(SnSe5)6 to be KInSnSe4" +mp-1195713,Ba3FeS4Br,-5.5393094714,-1.9475568239,0.0119173536,0.0119173536,GGA,Pnma,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Br-Fe-S,36.0,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Br-Fe-S +mp-3093,ErB2Ru3,-8.1066754933,-0.4817238314,0.0,-0.0154643208,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Er-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Er-Ru +mp-1196250,Er(BRu)4,-8.0989154189,-0.5008158574,0.0,-0.057976108,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Er-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Er-Ru +mp-1191771,LuB4Ru,-7.4068447217,-0.6546913644,0.0,-0.0284380267,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Lu-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Lu-Ru +mp-29239,LuB2Ru,-7.4562600656,-0.6677259152,0.0,-0.0123528235,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Lu-Ru,16.0,A2BC_oP16_62_d_c_c:B-Lu-Ru +mp-1225723,ErLu(B2Ru)2,-7.4460636031,-0.6516834165000001,0.0007253706,0.0007253706,GGA,Pmc2_1,A4BCD2_oP16_26_2c_a_b_ab:B-Er-Lu-Ru,16.0,"Invalid WP multiplicities - A4BCD2_oP16_26_3c_a_b_ab:B-Er-Lu-Ru, expected ErLu(B3Ru)2 to be ErLu(B2Ru)2" +mp-568184,Lu(BRu)4,-8.0917517147,-0.4988486299,0.0,-0.0529975879,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Lu-Ru,36.0,A4BC4_tI72_142_g_b_g:B-Lu-Ru +mp-1184363,ErLuRu2,-7.3364462475,-0.427077645,0.0,-0.0050863903,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Lu-Ru,4.0,ABC2_cF16_225_a_b_c:Er-Lu-Ru +mp-1198465,Er2B6Ru,-7.2053300128,-0.70686437,0.0,-0.0670342369,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Er-Ru,36.0,A6B2C_oP36_55_6h_2g_g:B-Er-Ru +mp-1191359,ErB4Ru,-7.4086372988,-0.6486892265,0.0,-0.0455638476,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Ru,24.0,A4BC_oP24_55_4h_g_g:B-Er-Ru +mp-1201540,Lu2B6Ru,-7.2277754983,-0.7397028089000001,0.0,-0.0727297939,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Lu-Ru,36.0,A6B2C_oP36_55_6h_2g_g:B-Lu-Ru +mp-5578,LuB2Ru3,-8.103232695,-0.4860757481,0.0,-0.0113432906,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Lu-Ru,6.0,A2BC3_hP6_191_c_a_g:B-Lu-Ru +mp-1181423,ErB2Ru,-7.4373178819,-0.6370916590000001,0.0,-0.016295764,GGA,Pnma,A2BC_oP16_62_d_c_c:B-Er-Ru,16.0,A2BC_oP16_62_d_c_c:B-Er-Ru +mp-1225782,Er2Mn(GeO3)4,-7.7355805082,-2.6750631994000003,0.0,-0.0071264324,GGA+U,Cmme,A2B4CD12_oC76_67_ac_o_e_mn2o:Er-Ge-Mn-O,38.0,"Invalid WP multiplicities - A2B4CD12_oC76_67_ac_o_e_2m3n9o:Er-Ge-Mn-O, expected Er2Mn(Ge2O23)2 to be Er2Mn(GeO3)4" +mp-1517779,BaEu(GeO3)4,-5.9208434344,-0.9192682847,1.3610106461,1.3610106461,GGA,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Eu-Ge-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Eu-Ge-O, expected BaEu(GeO4)4 to be BaEu(GeO3)4" +mp-1222325,LuCuPbS3,-5.4686388125,-1.3449465024,0.0,-0.0034180808,GGA,Cmc2_1,ABCD3_oC24_36_a_a_a_3a:Cu-Lu-Pb-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_36_a_a_a_4a:Cu-Lu-Pb-S, expected LuCuPbS4 to be LuCuPbS3" +mp-1192803,Lu2PbS4,-6.0993027654,-1.9135388257,0.0,-0.0115107496,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Lu-Pb-S,28.0,A2BC4_oP28_62_2c_c_4c:Lu-Pb-S +mp-1080466,Nb2PdS6,-6.7024309122,-1.124520791,0.0,-0.0186590435,GGA,C2/m,A2BC6_mC18_12_i_a_3i:Nb-Pd-S,9.0,A2BC6_mC18_12_i_a_3i:Nb-Pd-S +mp-1106085,Nb2PdS5,-6.9356536075,-1.1775609545,0.0,-0.0125835715,GGA,C2/m,A2BC5_mC32_12_2i_ac_5i:Nb-Pd-S,16.0,A2BC5_mC32_12_2i_ac_5i:Nb-Pd-S +mp-2217397,MgNb2PdS6,-6.332299095,-1.1521519809,0.125407439,0.125407439,GGA,Cm,AB2CD6_mC20_8_a_2a_a_6a:Mg-Nb-Pd-S,10.0,AB2CD6_mC20_8_a_2a_a_6a:Mg-Nb-Pd-S +mp-2226986,MgNb2PdS6,-6.280282145,-1.1001350309,0.177424389,0.177424389,GGA,Cm,AB2CD6_mC20_8_a_2a_a_6a:Mg-Nb-Pd-S,10.0,AB2CD6_mC20_8_a_2a_a_6a:Mg-Nb-Pd-S +mp-2222797,MgNb2PdS6,-6.374197043,-1.1940499289,0.083509491,0.083509491,GGA,C2/m,AB2CD6_mC20_12_a_i_c_3i:Mg-Nb-Pd-S,10.0,AB2CD6_mC20_12_a_i_d_3i:Mg-Nb-Pd-S +mp-1223431,La2(SnPb)3,-4.6313559075,-0.5015220344,0.00960155,0.00960155,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:La-Pb-Sn,8.0,A2B3C3_oP8_47_i_cl_def:La-Pb-Sn +mp-1212148,La2Sn3(PbS4)3,-5.3015133705,-1.1677099011,0.0166920023,0.0166920023,GGA,Pmc2_1,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:La-Pb-S-Sn,40.0,A2B3C12D3_oP40_26_2a_3a_5a7b_3b:La-Pb-S-Sn +mp-1188606,La5Pb3S,-5.4951748094,-1.0557940759,0.0,-0.0319560689,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:La-Pb-S,18.0,A5B3C_hP18_193_dg_g_b:La-Pb-S +mp-36538,La2PbS4,-6.2906412757,-1.9862897404,0.0195492514,0.0195492514,GGA,I-42d,A2BC4_tI28_122_d_a_e:La-Pb-S,14.0,A2BC4_tI28_122_d_a_e:La-Pb-S +mp-1022964,YMg6Cu,-2.5096923025,0.0112274579,0.1174629011,0.1174629011,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Y, expected YMg12Cu to be YMg6Cu" +mp-1099265,YMg6Cu,-2.4978755137,0.0230442467,0.1292796899,0.1292796899,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:Cu-Mg-Y +mp-571074,Y5Mg16Cu5,-3.1668803173,-0.1502314821,0.0005007812,0.0005007812,GGA,Cmcm,A5B16C5_oC104_63_c2f_2c7f_c2f:Cu-Mg-Y,52.0,"Invalid WP multiplicities - A5B16C5_oC104_63_2c6f_4c27f_2c5f:Cu-Mg-Y, expected Y6Mg29Cu7 to be Y5Mg16Cu5" +mp-1232305,YMgSe3,-5.151392949,-1.4404958297,0.290039729,0.290039729,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Y,10.0,AB3C_mC20_12_g_ij_i:Mg-Se-Y +mp-1232338,YMgSe3,-5.220258454,-1.5093613347,0.221174224,0.221174224,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-Se-Y,30.0,AB3C_hR30_148_c_f_c:Mg-Se-Y +mp-1178705,YMgCu3Se4,-4.71983439,-0.9033880473,0.1671103788,0.1671103788,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-Y,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-Y +mp-4901,Y2MgCu2,-4.784768599,-0.2384414757,0.0,-0.006365119,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Y,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Y +mp-568046,Y5Mg13Cu5,-3.3687075189,-0.1673149291,0.0,-0.0050975537,GGA,Cmcm,A5B13C5_oC92_63_c2f_a2c5f_c2f:Cu-Mg-Y,46.0,"Invalid WP multiplicities - A5B13C5_oC92_63_c6f_2a4c19f_2c5f:Cu-Mg-Y, expected Y12Mg44Cu13 to be Y5Mg13Cu5" +mp-1232194,Y2MgSe4,-5.8562285275,-1.782390215,0.1998107539,0.1998107539,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Y,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Y +mp-1232204,Y2MgSe4,-6.0190770745,-1.945238762,0.036962207,0.036962207,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Y,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Y +mp-1232196,Y2MgSe4,-6.0268897407,-1.9530514282,0.0291495407,0.0291495407,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Y,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Y +mp-1232199,Y2MgSe4,-5.9865658986,-1.9127275861,0.0694733829,0.0694733829,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-Se-Y,28.0,AB4C2_oP28_62_c_4c_2c:Mg-Se-Y +mp-1232307,Y2MgSe4,-5.8213850482,-1.7475467357,0.2346542332,0.2346542332,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Y,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Y +mp-1232187,Y2MgSe4,-5.9584231264,-1.884584814,0.097616155,0.097616155,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-Se-Y,14.0,AB4C2_tI28_122_a_e_d:Mg-Se-Y +mp-15803,Y2MgSe4,-6.0452424071,-1.9714040947,0.0107968743,0.0107968743,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-Se-Y,14.0,AB4C2_cF56_227_a_e_d:Mg-Se-Y +mp-1028130,YMg14Cu,-2.05248744,0.0081124652,0.0730294327,0.0730294327,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Y, expected YMg18Cu to be YMg14Cu" +mp-1028087,YMg14Cu,-2.04267358,0.0179263252,0.0828432927,0.0828432927,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Y, expected YMg26Cu to be YMg14Cu" +mp-646125,Y5Mg8Cu5,-3.8372183769,-0.1910723038,0.0007760661,0.0007760661,GGA,Pmma,A5B8C5_oP36_51_e2j_bfi2j_e2i:Cu-Mg-Y,36.0,"Invalid WP multiplicities - A5B8C5_oP36_51_2e6j_2b2f4i7j_2e4i:Cu-Mg-Y, expected Y5Mg13Cu7 to be Y5Mg8Cu5" +mp-570765,YMg4Cu,-2.9522826142,-0.1244829503,0.0092981434,0.0092981434,GGA,Cmmm,AB4C_oC48_65_q_acgp2q_gi:Cu-Mg-Y,24.0,"Invalid WP multiplicities - AB4C_oC48_65_q_ac2g4p7q_gi:Cu-Mg-Y, expected Y2Mg25Cu2 to be YMg4Cu" +mp-1097050,YMgCu2,-2.1981726875,1.8681184383,2.0924349558,2.0924349558,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Mg-Y,4.0,A2BC_oI8_71_e_a_b:Cu-Mg-Y +mp-13218,YMg2Cu9,-4.0540169846,-0.1740260476,0.0,-0.0075807046,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Y,24.0,"Invalid WP multiplicities - A9B2C_hP24_194_abc2k_f_d:Cu-Mg-Y, expected YMg2Cu15 to be YMg2Cu9" +mp-13172,YMgCu4,-4.3114768733,-0.2342138994,0.0,-0.03236327,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Mg-Y,6.0,A4BC_cF24_216_e_a_c:Cu-Mg-Y +mp-13171,YMgCu,-4.2697384133,-0.2144191356,0.0,-0.00181539,GGA,P-62m,ABC_hP9_189_ad_g_f:Cu-Mg-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_a2d_g_f:Cu-Mg-Y, expected Y3Mg3Cu5 to be YMgCu" +mp-631382,YMgCu,-3.5208461967,0.5344730811,0.7488922167000001,0.7470768267,GGA,F-43m,ABC_cF12_216_a_b_c:Cu-Mg-Y,3.0,ABC_cF12_216_a_b_c:Cu-Mg-Y +mp-1210631,MgTa2Zn2O8,-8.0259537062,-2.84065892,0.0173792792,0.0173792792,GGA,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Mg-O-Ta-Zn,26.0,AB8C2D2_mC52_15_e_4f_f_f:Mg-O-Ta-Zn +mp-631335,MgTaZn,-4.2502958867,0.6556378767000001,0.7363383625000001,0.7363383625000001,GGA,F-43m,ABC_cF12_216_a_b_c:Mg-Ta-Zn,3.0,ABC_cF12_216_a_b_c:Mg-Ta-Zn +mp-19823,NdMnAsO,-7.747449345,-1.8634568848,0.0532392883,0.0532392883,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Mn-Nd-O,8.0,ABCD_tP8_129_c_a_c_b:As-Mn-Nd-O +mp-1209797,Nd2MnAs2O,-5.7955568583,-0.3016842453,1.4771982072,1.4771982072,GGA+U,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Mn-Nd-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Mn-Nd-O +mp-1194326,CsTmSiS4,-5.6178853354000005,-1.7118345792,0.0,-0.0492420103,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Cs-S-Si-Tm,28.0,AB4CD_oP28_19_a_4a_a_a:Cs-S-Si-Tm +mp-1178360,DyInO3,-7.379810134,-2.9401027932,0.064032907,0.064032907,GGA,Pnma,ABC3_oP20_62_c_a_cd:Dy-In-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Dy-In-O, expected DyInO7 to be DyInO3" +mp-768149,DyInO3,-7.439521238,-2.9998138973,0.004321803,0.004321803,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Dy-In-O,30.0,"Invalid WP multiplicities - ABC3_hP30_185_a2b_c_2a3b11c:Dy-In-O, expected Dy5In3O41 to be DyInO3" +mp-1183823,DyInO3,-6.745079848,-2.3053725072,0.698763193,0.698763193,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Dy-In-O,5.0,ABC3_cP5_221_a_b_c:Dy-In-O +mp-1208295,TiTlAsO5,-7.2687871789,-2.3124500383,0.0,-0.0460009488,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:As-O-Ti-Tl,64.0,AB5CD_oP64_33_2a_10a_2a_2a:As-O-Ti-Tl +mp-6394,RbTiAsO5,-7.3437921042,-2.5602185979,0.0,-0.1578380037,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:As-O-Rb-Ti,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_3a_13a_2a_2a:As-O-Rb-Ti, expected Rb2Ti2As3O13 to be RbTiAsO5" +mp-1215797,Zn2Cu10Sb4S13,-4.4080364538,-0.4838500004,0.0417829363,0.0417829363,GGA,I-42m,A10B13C4D2_tI58_121_dfg_aij_i_e:Cu-S-Sb-Zn,29.0,"Invalid WP multiplicities - A10B13C4D2_tI58_121_2df2g_a4i4j_i_e:Cu-S-Sb-Zn, expected Zn2Cu16Sb4S49 to be Zn2Cu10Sb4S13" +mp-1217522,TbTaTiO6,-9.6671985519,-3.6596687726,0.0,-0.0029147847,GGA,Pna2_1,A6BCD_oP36_33_6a_a_a_a:O-Ta-Tb-Ti,36.0,"Invalid WP multiplicities - A6BCD_oP36_33_16a_a_a_a:O-Ta-Tb-Ti, expected TbTaTiO16 to be TbTaTiO6" +mp-1221406,NaEuF4,-6.7437240667000005,-3.5394835728,0.0,-0.0183905858,GGA,P1,AB4C_aP18_1_3a_12a_3a:Eu-F-Na,18.0,AB4C_aP18_1_3a_12a_3a:Eu-F-Na +mp-1210237,NaEuCu2F8,-5.6490033358,-2.7265223214,0.0,-0.037269242,GGA,I422,A2BC8D_tI24_97_d_a_k_b:Cu-Eu-F-Na,12.0,A2BC8D_tI24_97_d_a_k_b:Cu-Eu-F-Na +mp-571467,Cs2NaYBr6,-4.106818073,-2.2170209599,0.0,-0.0151558545,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Na-Y +mp-1112434,K2AsAuCl6,-3.520584685,-1.3960828591,0.0920713864,0.0920713864,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-Cl-K +mp-1111323,Na2AgMoF6,-5.166545754,-2.3873327035000003,0.1486512671,0.1486512671,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mo-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Mo-Na +mp-1113545,Rb2HgAsI6,-2.544391612,-0.9679851105,0.0390907886,0.0390907886,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-Rb +mp-1111589,K2TlAsBr6,-3.241271713,-1.3851987704,0.0520025945,0.0520025945,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-Br-K-Tl +mp-1113861,Rb2TlRhF6,-4.720728048,-2.4050387513,0.0,-0.0241612323,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Rh-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Rh-Tl +mp-1111478,Na2TaHgF6,-5.232325039,-2.6047868003,0.3712138387,0.3712138387,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Ta +mp-1197587,SrRe3Se4O11,-6.3421410261,-0.6884411975,1.158235836,1.158235836,GGA,P-1,A11B3C4D_aP38_2_11i_3i_4i_i:O-Re-Se-Sr,38.0,A11B3C4D_aP38_2_11i_3i_4i_i:O-Re-Se-Sr +mp-1190518,Ta3Al4O14,-8.9749051629,-3.2697014406,0.0807579423,0.0807579423,GGA,P3,A4B14C3_hP21_143_ad_bc4d_d:Al-O-Ta,21.0,A4B14C3_hP21_143_ad_bc4d_d:Al-O-Ta +mp-1205947,Eu2TaAlO6,-10.03051978,-3.4507708473,0.0,-0.0269665194,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Eu-O-Ta,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Eu-O-Ta +mp-14333,TaAlO4,-9.3012949375,-3.4029435533,0.0,-0.02861546,GGA,C2/m,AB4C_mC24_12_i_4i_i:Al-O-Ta,12.0,AB4C_mC24_12_i_4i_i:Al-O-Ta +mp-8898,TaAlO4,-9.2812997579,-3.3829483737,0.0199951796,-0.0086202804,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Al-O-Ta,24.0,AB4C_oP24_60_c_2d_c:Al-O-Ta +mp-675172,TaAlO4,-9.233514985,-3.3351636008,0.0677799525,0.0391644925,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Al-O-Ta,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2hi_c:Al-O-Ta, expected TaAlO6 to be TaAlO4" +mp-760396,TaAlO4,-9.2457485267,-3.3473971425,0.0555464108,0.0269309508,GGA,I4_1md,AB4C_tI24_109_a_2b_a:Al-O-Ta,12.0,"Invalid WP multiplicities - AB4C_tI24_109_a_7b_a:Al-O-Ta, expected TaAlO14 to be TaAlO4" +mp-1173125,TaAlO4,-8.2837732967,-2.3854219125,1.0175216408,0.9889061808,GGA,P4/mmm,AB4C_tP6_123_a_j_c:Al-O-Ta,6.0,AB4C_tP6_123_a_j_c:Al-O-Ta +mp-1222869,LaPdO4,-6.847055515,-1.863281555,0.115450274,0.115450274,GGA,R-3m,AB4C_hR18_166_a_2c_b:La-O-Pd,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:La-O-Pd, expected LaPdO6 to be LaPdO4" +mp-31031,La4PdO7,-8.3239945058,-3.3614335718,0.0252240627,0.0252240627,GGA,C2/m,A4B7C_mC24_12_2i_a3i_b:La-O-Pd,12.0,"Invalid WP multiplicities - A4B7C_mC24_12_2i_a4i_b:La-O-Pd, expected La4PdO9 to be La4PdO7" +mp-1105217,BaLa2PdO5,-7.6622842983,-3.0284715743,0.0,-0.0098403454,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-La-O-Pd,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-La-O-Pd +mp-16415,LaPdO3,-7.354187217,-2.3629962073,0.0,-0.0012730153,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Pd,20.0,AB3C_oP20_62_c_cd_a:La-O-Pd +mp-8672,La2PdO4,-7.9602526386,-2.983302515,0.0546059494,0.0546059494,GGA,I4/mmm,A2B4C_tI14_139_e_cd_a:La-O-Pd,7.0,A2B4C_tI14_139_e_cd_a:La-O-Pd +mp-560340,La2Pd2O5,-7.5690452806,-2.5729095710000003,0.0,-0.0487237935,GGA,P4_2/m,A2B5C2_tP18_84_j_ek_j:La-O-Pd,18.0,"Invalid WP multiplicities - A2B5C2_tP18_84_j_2e3k_j:La-O-Pd, expected LaPdO7 to be La2Pd2O5" +mp-9210,La(PdO2)2,-6.9926737564,-1.9808843893,0.0,-0.0578675296,GGA,I4_1/a,AB4C2_tI28_88_a_f_d:La-O-Pd,14.0,AB4C2_tI28_88_a_f_d:La-O-Pd +mp-21872,PrLuO3,-8.746118879,-3.9177343972,0.0126164765,0.0126164765,GGA,Pnma,AB3C_oP20_62_a_cd_c:Lu-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Lu-O-Pr +mp-1210514,Pr3Lu2(GaO4)3,-7.958456381,-3.3669978356,0.0,-0.0355757848,GGA,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ga-Lu-O-Pr,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ga-Lu-O-Pr +mp-1224288,La3Si(Mo2O7)2,-8.8514873232,-2.8119608803,0.0443429893,0.0443429893,GGA+U,Pna2_1,A3B4C14D_oP88_33_3a_4a_14a_a:La-Mo-O-Si,88.0,"Invalid WP multiplicities - A3B4C14D_oP88_33_3a_9a_34a_a:La-Mo-O-Si, expected La3SiMo9O34 to be La3Si(Mo2O7)2" +mp-1111319,Na2AgRuF6,-4.678103655,-2.0560153615,0.122365512,0.122365512,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Ru +mp-1235160,LiEr6Ta2O14,-8.9512377222,-3.6345232463,0.1290623792,0.1290623792,GGA,C2,A6BC14D2_mC46_5_ab2c_a_7c_ab:Er-Li-O-Ta,23.0,"Invalid WP multiplicities - A6BC14D2_mC46_5_ab3c_a_10c_ab:Er-Li-O-Ta, expected LiEr8Ta2O20 to be LiEr6Ta2O14" +mp-1236590,LiEr6Ta2O14,-8.999047000400001,-3.6823325246,0.0812531009,0.0812531009,GGA,Pm,A6BC14D2_mP23_6_2a2bc_a_3a3b4c_c:Er-Li-O-Ta,23.0,A6BC14D2_mP23_6_2a2bc_a_3a3b4c_c:Er-Li-O-Ta +mp-1236211,LiEr6Ta2O14,-8.9557356787,-3.6390212029,0.1245644226,0.1245644226,GGA,Cm,A6BC14D2_mC46_8_2a2b_a_2a6b_2a:Er-Li-O-Ta,23.0,"Invalid WP multiplicities - A6BC14D2_mC46_8_2a4b_a_2a12b_2a:Er-Li-O-Ta, expected LiEr10Ta2O26 to be LiEr6Ta2O14" +mp-1191669,Dy3BeCrS7,-6.5499690363,-1.869304876,0.0414406892,0.0414406892,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Dy-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Be-Cr-Dy-S +mp-1208393,TbTl(MoO4)2,-8.0680771673,-2.3795922376,0.0,-0.0118368299,GGA+U,Pbcn,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Tb-Tl,48.0,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Tb-Tl +mp-1220573,Nd2MnGaO6,-8.1380300195,-2.9973761748000003,0.0287850439,0.0287850439,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Ga-Mn-Nd-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_5e:Ga-Mn-Nd-O, expected Nd2MnGaO10 to be Nd2MnGaO6" +mp-33723,BiTeBr,-3.71212713,-0.8665193456,0.0,-0.0292464422,GGA,P3m1,ABC_hP3_156_a_b_c:Bi-Br-Te,3.0,ABC_hP3_156_a_b_c:Bi-Br-Te +mp-557322,Bi4Te2Br2O9,-5.52304924,-1.4480596301,0.1678234149,0.1678234149,GGA,P4mm,A4B2C9D2_tP17_99_abc_c_a2d_ab:Bi-Br-O-Te,17.0,"Invalid WP multiplicities - A4B2C9D2_tP17_99_abc_c_a6d_ab:Bi-Br-O-Te, expected Bi4Te2Br2O25 to be Bi4Te2Br2O9" +mp-1106129,Bi4Te2Br2O9,-5.6453035841,-1.5703139742,0.0455690708,0.0455690708,GGA,P4mm,A4B2C9D2_tP17_99_abc_c_a2d_ab:Bi-Br-O-Te,17.0,A4B2C9D2_tP17_99_abc_c_a2d_ab:Bi-Br-O-Te +mp-1227641,Bi10Te2Br4O17,-5.6974364133,-1.6066083982,0.037243632,0.037243632,GGA,I4mm,A10B4C17D2_tI66_107_6a2b_2b_a4c_2a:Bi-Br-O-Te,33.0,"Invalid WP multiplicities - A10B4C17D2_tI66_107_6a2b_2b_a8c_2a:Bi-Br-O-Te, expected Bi10Te2Br4O33 to be Bi10Te2Br4O17" +mp-29127,Bi(TeBr2)2,-3.1793763207,-0.8452028583000001,0.0278979809,0.0278979809,GGA,P-1,AB4C2_aP14_2_i_4i_2i:Bi-Br-Te,14.0,AB4C2_aP14_2_i_4i_2i:Bi-Br-Te +mp-555852,Rb2Ag2GeS4,-4.0859415311,-0.8864962562,0.0,-0.0059728629,GGA,C2/c,A2BC2D4_mC36_15_2e_e_2e_2f:Ag-Ge-Rb-S,18.0,"Invalid WP multiplicities - A2BC2D4_mC36_15_3e_e_4e_6f:Ag-Ge-Rb-S, expected Rb4Ag3GeS12 to be Rb2Ag2GeS4" +mp-1226907,Cd3FeS4,-4.2140376113,-0.7409763666,0.1113822625,0.1113822625,GGA,P-4m2,A3BC4_tP8_115_be_c_2g:Cd-Fe-S,8.0,"Invalid WP multiplicities - A3BC4_tP8_115_b2e_c_3g:Cd-Fe-S, expected Cd5FeS6 to be Cd3FeS4" +mp-1226325,Cr4CdFeS8,-6.7004528143,-0.9078314011,0.0499856496,0.0499856496,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Fe-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Cd-Cr-Fe-S +mp-1227026,Cd4FeS5,-3.9871430185,-0.7027600601,0.155894814,0.155894814,GGA,Cm,A4BC5_mC40_8_8a_2a_10a:Cd-Fe-S,20.0,A4BC5_mC40_8_8a_2a_10a:Cd-Fe-S +mp-1226763,CdFeS2,-4.9985857875,-0.5821331116,0.2387442925,0.2387442925,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cd-Fe-S,4.0,ABC2_hP4_156_a_b_ab:Cd-Fe-S +mp-1226715,CdFeS2,-4.9983969375,-0.5819442616,0.2389331425,0.2389331425,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Fe-S,4.0,ABC2_hR12_160_a_a_2a:Cd-Fe-S +mp-1222397,Lu4MnS7,-6.7458124117,-2.0623985417,0.044040485,0.044040485,GGA,Cm,A4BC7_mC24_8_4a_a_7a:Lu-Mn-S,12.0,A4BC7_mC24_8_4a_a_7a:Lu-Mn-S +mp-1247228,LuMgMnS4,-6.1184266543,-1.5714201786,0.0650723157,0.0650723157,GGA,Imma,ABCD4_oI28_74_a_e_c_hi:Lu-Mg-Mn-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_3h3i:Lu-Mg-Mn-S, expected LuMgMnS12 to be LuMgMnS4" +mp-14305,Lu2MnS4,-6.8974051486,-1.9331600343,0.0,-0.0260528536,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Lu-Mn-S,14.0,A2BC4_cF56_227_c_b_e:Lu-Mn-S +mp-1246897,LuMg2Mn3S8,-6.1728530071,-1.2943419049,0.0687807925,0.0687807925,GGA,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Lu-Mg-Mn-S,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Lu-Mg-Mn-S, expected LuMg2Mn3S16 to be LuMg2Mn3S8" +mp-1247221,Lu3Mg2MnS8,-6.0796474486,-1.8641455995,0.0454328971,0.0454328971,GGA,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Lu-Mg-Mn-S,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Lu-Mg-Mn-S, expected Lu3Mg2MnS22 to be Lu3Mg2MnS8" +mp-1227130,CdFe3(SnS4)2,-5.3771979571,-0.5597910975,0.2351301782,0.2351301782,GGA,Imm2,AB3C8D2_oI28_44_a_bc_2c2d_d:Cd-Fe-S-Sn,14.0,AB3C8D2_oI28_44_a_bc_2c2d_d:Cd-Fe-S-Sn +mp-1098342,HfMg30SnO32,-6.3372686972,-2.8955624293,0.1560687531,0.1560687531,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Sn, expected HfMg110SnO72 to be HfMg30SnO32" +mp-1098345,HfMg30SnO32,-6.3385781536,-2.8968718857,0.1547592967,0.1547592967,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Sn, expected HfMg90SnO80 to be HfMg30SnO32" +mp-1034202,HfMg14SnO16,-6.3532465309,-2.7433183758,0.3059036896,0.3059036896,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Sn, expected HfMg18SnO20 to be HfMg14SnO16" +mp-1034209,HfMg14SnO16,-6.3575001925,-2.7475720373,0.301650028,0.301650028,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Sn, expected HfMg30SnO32 to be HfMg14SnO16" +mp-1026638,HfMg14Sn,-2.2803946738,-0.0072270747,0.0677469579,0.0677469579,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Sn, expected HfMg18Sn to be HfMg14Sn" +mp-1026643,HfMg14Sn,-2.2613450112,0.0118225878,0.0867966204,0.0867966204,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Sn, expected HfMg26Sn to be HfMg14Sn" +mp-1031388,HfMg6SnO8,-6.4176053081,-2.4712333784,0.573170453,0.573170453,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Sn, expected HfMg6SnO12 to be HfMg6SnO8" +mp-1031469,HfMg6SnO8,-6.4393139619,-2.4929420322,0.5514617992,0.5514617992,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Sn, expected HfMg6SnO12 to be HfMg6SnO8" +mp-1021370,HfMg6Sn,-2.9457450562,0.0003100919,0.1230030072,0.1230030072,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Sn, expected HfMg12Sn to be HfMg6Sn" +mp-1021378,HfMg6Sn,-2.9356761144,0.0103790338,0.1330719491,0.1330719491,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Sn, expected HfMg12Sn to be HfMg6Sn" +mp-1222093,Mg6Sn2Ge,-2.6679131111,-0.196374015,0.0180798711,0.0180798711,GGA,P-3m1,AB6C2_hP9_164_a_c2d_d:Ge-Mg-Sn,9.0,"Invalid WP multiplicities - AB6C2_hP9_164_a_2c4d_d:Ge-Mg-Sn, expected Mg12Sn2Ge to be Mg6Sn2Ge" +mp-1043036,MgSn(GeO3)2,-6.6104195215,-2.1568155333,0.0770448435,0.0770448435,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-Sn,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-Sn +mp-1042954,MgSn(GeO3)2,-6.6065167655,-2.1529127773,0.0809475995,0.0809475995,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-Sn,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-Sn +mp-1329748,Mg3Sn2(GeO4)3,-6.4970462696,-2.1945796716,0.2056138197,0.2056138197,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Sn,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Sn +mp-1222113,Mg4SnGe,-2.380774775,0.12484521,0.3529133283,0.3529133283,GGA,F-43m,AB4C_cF24_216_a_e_c:Ge-Mg-Sn,6.0,AB4C_cF24_216_a_e_c:Ge-Mg-Sn +mp-1207107,Pr2CoO4,-8.1367113386,-2.9285850314,0.1070340609,0.1070340609,GGA+U,I4/mmm,AB4C2_tI14_139_a_ce_e:Co-O-Pr,7.0,AB4C2_tI14_139_a_ce_e:Co-O-Pr +mp-1376950,Pr(CoO3)2,-6.9942017583,-1.5855713569,0.1732656489,0.1732656489,GGA+U,Pmn2_1,A2B6C_oP18_31_b_2a2b_a:Co-O-Pr,18.0,"Invalid WP multiplicities - A2B6C_oP18_31_b_4a4b_a:Co-O-Pr, expected Pr(CoO6)2 to be Pr(CoO3)2" +mp-20090,PrCoO3,-7.851972208,-2.5061142712,0.0,-0.0202995071,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Pr,20.0,AB3C_oP20_62_a_cd_c:Co-O-Pr +mp-20427,PrCoO3,-7.73563128,-2.3897733432,0.116340928,0.0960414209,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Pr,5.0,AB3C_cP5_221_b_c_a:Co-O-Pr +mp-669351,Rb3Ce(PSe4)2,-4.5580300887,-1.1531309311,0.0,-0.0195424071,GGA,P2_1/c,AB2C3D8_mP56_14_e_2e_3e_8e:Ce-P-Rb-Se,56.0,"Invalid WP multiplicities - AB2C3D8_mP56_14_e_6e_8e_26e:Ce-P-Rb-Se, expected Rb8Ce(P3Se13)2 to be Rb3Ce(PSe4)2" +mp-1213528,Eu3Sc2(FeO4)3,-9.2354874763,-2.8251738875,0.0020845676,0.0020845676,GGA+U,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Eu-Fe-O-Sc,80.0,A3B3C12D2_cI160_230_c_d_h_a:Eu-Fe-O-Sc +mp-1106004,HoFe4(CuO4)3,-7.151389093,-1.6453701802,0.0437182792,0.0437182792,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Ho-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Ho-O +mp-1223889,HoFeCu,-5.78911493,-0.07190268,0.1175106287,0.1175106287,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Ho,6.0,ABC_oI12_74_a_c_e:Cu-Fe-Ho +mp-1226106,CoRhS4,-5.8759690025,-0.7062314804000001,0.0,-0.01021863,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Rh-S,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Rh-S, expected CoRhS8 to be CoRhS4" +mp-1103852,Co(RhS2)2,-6.1983380986,-0.7150905268000001,0.0393388866,0.0393388866,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Rh-S,14.0,AB2C4_cF56_227_a_d_e:Co-Rh-S +mp-1188878,Co8RhS8,-6.4695479741,-0.7446980232,0.0,-0.035085855,GGA,Fm-3m,A8BC8_cF68_225_f_a_ce:Co-Rh-S,17.0,A8BC8_cF68_225_f_a_ce:Co-Rh-S +mp-35701,Co2RhS4,-6.1561714221,-0.7094938611,0.0305913329,0.0305913329,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Co-Rh-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_4h3i:Co-Rh-S, expected Co2RhS14 to be Co2RhS4" +mp-1225064,FeCo(RhS2)4,-6.2930839129,-0.7125718114,0.0607765623,0.0607765623,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:Co-Fe-Rh-S,14.0,ABC4D8_cF56_216_a_c_e_2e:Co-Fe-Rh-S +mp-1194578,BaPr(SnS3)2,-5.430423843,-1.4766514824,0.0,-0.0044181211,GGA,Pmc2_1,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Pr-S-Sn,40.0,ABC6D2_oP40_26_2a_2a_4a8b_a3b:Ba-Pr-S-Sn +mp-1049276,HoTi2ZnO6,-8.3294146295,-3.1980877514,0.1201652588,0.1201652588,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Ho-O-Ti-Zn,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_4a4b_b_a:Ho-O-Ti-Zn, expected HoTi2ZnO12 to be HoTi2ZnO6" +mp-1002069,NaLiICl,-3.35564485,-1.7173070575,0.0936367287,0.0936367287,GGA,P4/mmm,ABCD_tP4_123_a_d_b_c:Cl-I-Li-Na,4.0,ABCD_tP4_123_a_d_b_c:Cl-I-Li-Na +mp-1110932,K2NaPrBr6,-3.875848217,-2.1116083248,0.0727924585,0.0727924585,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Pr +mp-1111711,Rb2YAuCl6,-4.31699123,-2.0377271082,0.1131600761,0.1131600761,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-Rb-Y +mp-1213246,Eu2NiRuO6,-8.8558395795,-2.3309720707,0.0,-0.0200177353,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Eu-Ni-O-Ru +mp-1112788,Cs2KAuBr6,-2.985151038,-1.4358254709,0.1141191946,0.1141191946,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-Cs-K +mp-1227214,CaGd2BeO5,-10.0643093533,-3.5497870443,0.0392319356,0.0392319356,GGA,Pna2_1,ABC2D5_oP36_33_a_a_2a_5a:Be-Ca-Gd-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_33_a_a_2a_10a:Be-Ca-Gd-O, expected CaGd2BeO10 to be CaGd2BeO5" +mp-1188652,TmAgSe2,-5.0035028038,-1.4284492083,0.0,-0.0001070553,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:Ag-Se-Tm,16.0,AB2C_oP16_19_a_2a_a:Ag-Se-Tm +mp-13385,TmAg(PSe3)2,-4.74543975,-0.8343932194,0.0,-0.0419892007,GGA,P-31c,AB2C6D_hP20_163_c_f_i_a:Ag-P-Se-Tm,20.0,AB2C6D_hP20_163_c_f_i_a:Ag-P-Se-Tm +mp-1221809,Na2Te(BrO)6,-3.511726648,-0.5259493995,0.4476185886,0.4476185886,GGA,C2,A6B2C6D_mC30_5_3c_ab_3c_a:Br-Na-O-Te,15.0,"Invalid WP multiplicities - A6B2C6D_mC30_5_4c_ab_4c_a:Br-Na-O-Te, expected Na2Te(BrO)8 to be Na2Te(BrO)6" +mp-557805,MnBiS2Br,-5.438711127,-0.8730246298000001,0.0067337375,0.0067337375,GGA,C2/m,ABCD2_mC20_12_i_i_ac_2i:Bi-Br-Mn-S,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_i_ad_4i:Bi-Br-Mn-S, expected MnBiS4Br to be MnBiS2Br" +mp-1215661,YbNb(PbO3)2,-7.165005925,-2.2903719522,0.1870675138,0.1870675138,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Pb-Yb,,AB6C2D_cF40_225_a_e_c_b:Nb-O-Pb-Yb +mp-1209559,ScZn10(B4Rh9)2,-5.9768807838,-0.4384326478,0.0363188051,0.0363188051,GGA,P4/mbm,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Sc-Zn,74.0,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-Sc-Zn +mp-867769,ScZnRh2,-6.3554813975,-0.7752742838000001,0.0,-0.067482935,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-Sc-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-Sc-Zn +mp-1097596,Sc2ZnRh,-3.493780895,1.8284665275,2.5348548275,2.5348548275,GGA,Immm,AB2C_oI8_71_a_e_b:Rh-Sc-Zn,4.0,AB2C_oI8_71_a_e_b:Rh-Sc-Zn +mp-1105511,ErCrTeO6,-7.7761723989,-2.5490385721,0.0,-0.0180701604,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Cr-Er-O-Te,18.0,ABC6D_hP18_163_c_b_i_d:Cr-Er-O-Te +mp-1213065,ErCrTeO6,-7.5357588383,-2.3086250116,0.2404135606,0.2223434001,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Cr-Er-O-Te,18.0,ABC6D_hP18_163_b_c_i_d:Cr-Er-O-Te +mp-1194207,LaMoBrO4,-7.9453658775,-2.6423029646,0.0,-0.0193707455,GGA+U,Pc,ABCD4_mP28_7_2a_2a_2a_8a:Br-La-Mo-O,28.0,ABCD4_mP28_7_2a_2a_2a_8a:Br-La-Mo-O +mp-680377,Rb12Sn8GeO4,-3.5860482206,-0.8559375642,0.0051750744,0.0051750744,GGA,P2_1/c,AB4C12D8_mP100_14_e_4e_12e_8e:Ge-O-Rb-Sn,100.0,"Invalid WP multiplicities - AB4C12D8_mP100_14_e_15e_46e_30e:Ge-O-Rb-Sn, expected Rb46Sn30GeO15 to be Rb12Sn8GeO4" +mp-680061,Rb2Sn(GeO3)3,-6.3746222489,-2.0839607845,0.0502896802,0.0502896802,GGA,P-3c1,A3B9C2D_hP90_165_fg_f4g_g_bd:Ge-O-Rb-Sn,90.0,"Invalid WP multiplicities - A3B9C2D_hP90_165_3f3g_6f39g_g_2b3d:Ge-O-Rb-Sn, expected Rb6Sn8(Ge3O28)9 to be Rb2Sn(GeO3)3" +mp-1211087,LiCdFeF6,-5.260138905,-2.7300602781,0.0,-0.0156719311,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cd-F-Fe-Li,18.0,AB6CD_hP18_163_b_i_c_d:Cd-F-Fe-Li +mp-1226147,Cs2RbSiF7,-5.2882247723,-3.3266784433,0.0106618068,0.0106618068,GGA,Cmmm,A2B7CD_oC44_65_eh_fgino_j_ab:Cs-F-Rb-Si,22.0,"Invalid WP multiplicities - A2B7CD_oC44_65_eh_fgi2n2o_j_ab:Cs-F-Rb-Si, expected Cs2RbSiF11 to be Cs2RbSiF7" +mp-7380,CsRb2SiF7,-5.3014197045,-3.33213413,0.0026117841,0.0026117841,GGA,P4/mbm,AB7C2D_tP22_127_b_ahk_g_c:Cs-F-Rb-Si,22.0,AB7C2D_tP22_127_b_ahk_g_c:Cs-F-Rb-Si +mp-13748,Cs3SiF7,-5.282257915,-3.3284508315,0.0030795205,0.0030795205,GGA,P4/mbm,A3B7C_tP22_127_bg_ahk_c:Cs-F-Si,22.0,A3B7C_tP22_127_bg_ahk_c:Cs-F-Si +mp-12243,Rb3SiF7,-5.3056444727,-3.3286196527,0.0035319255,0.0035319255,GGA,P4/mbm,A7B3C_tP22_127_ahk_bg_c:F-Rb-Si,22.0,A7B3C_tP22_127_ahk_bg_c:F-Rb-Si +mp-10492,Rb2SiF6,-5.5288722656,-3.4338433789,0.0,-0.0782134322,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-Rb-Si,9.0,A6B2C_cF36_225_e_c_a:F-Rb-Si +mp-4047,Cs2SiF6,-5.51629582,-3.440185089,0.0,-0.0846927004,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Si,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Si +mp-1517741,BaDyCr4O12,-7.8661246706,-2.0606682153,0.3701765378,0.3701765378,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Cr-Dy-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Cr-Dy-O, expected BaDyCr4O16 to be BaDyCr4O12" +mp-1209458,Sm2Sn3(PbS4)3,-5.2524617447,-1.1404003724,0.0063178584,0.0063178584,GGA,Pmc2_1,A3B12C2D3_oP40_26_3a_5a7b_2a_3b:Pb-S-Sm-Sn,40.0,A3B12C2D3_oP40_26_3a_5a7b_2a_3b:Pb-S-Sm-Sn +mp-675511,Sm2PbS4,-6.1149768964,-1.8727456382,0.0423314782,0.0423314782,GGA,I-42d,AB4C2_tI28_122_a_e_d:Pb-S-Sm,14.0,AB4C2_tI28_122_a_e_d:Pb-S-Sm +mp-1223294,La3Al(FeO3)4,-8.257625744,-2.667928418,0.11661904,0.11661904,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Al-Fe-La-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Al-Fe-La-O, expected La3Al(Fe2O5)4 to be La3Al(FeO3)4" +mp-1044741,CaPr(CoO3)2,-7.30717812,-2.2388507707,0.0460773715,0.0460773715,GGA+U,Pc,AB2C6D_mP20_7_a_2a_6a_a:Ca-Co-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_mP20_7_a_4a_12a_a:Ca-Co-O-Pr, expected CaPr(CoO3)4 to be CaPr(CoO3)2" +mp-1227199,CaPr3(CoO3)4,-7.563248145,-2.356155502,0.0412145806,0.0412145806,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Co-O-Pr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:Ca-Co-O-Pr, expected CaPr3(Co2O5)4 to be CaPr3(CoO3)4" +mp-1227079,CaPrCoO4,-7.5260876971,-2.7144336579,0.0354230812,0.0354230812,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Ca-Co-O-Pr,7.0,ABC4D_tI14_107_a_a_2ab_a:Ca-Co-O-Pr +mp-1219381,Sm12Sn(GeS7)4,-6.1434099136,-1.8112918432,0.0,-0.0086891155,GGA,P1,A4B28C12D_aP45_1_4a_28a_12a_a:Ge-S-Sm-Sn,45.0,A4B28C12D_aP45_1_4a_28a_12a_a:Ge-S-Sm-Sn +mp-22097,Mo(RhO3)2,-7.6440350939,-1.5046575253,0.0,-0.0173211144,GGA+U,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Mo-O-Rh,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_f2j_e:Mo-O-Rh, expected Mo(RhO5)2 to be Mo(RhO3)2" +mp-2230558,MgMo2(RhO3)4,-7.4311416711,-1.5306639718,0.1363798212,0.1363798212,GGA+U,P2,AB2C12D4_mP19_3_a_bc_6e_2b2c:Mg-Mo-O-Rh,19.0,"Invalid WP multiplicities - AB2C12D4_mP19_3_c_ab_9e_2a2b:Mg-Mo-O-Rh, expected MgMo2(Rh2O9)2 to be MgMo2(RhO3)4" +mp-2231386,MgMo2(RhO3)4,-7.2845665568,-1.3840888576,0.2829549354,0.2829549354,GGA+U,Amm2,AB2C12D4_oC38_38_a_ab_2b2cdf_2c:Mg-Mo-O-Rh,19.0,"Invalid WP multiplicities - AB2C12D4_oC38_38_a_ab_2b4cd2f_4c:Mg-Mo-O-Rh, expected MgMo2(Rh2O5)4 to be MgMo2(RhO3)4" +mp-2230489,MgMo2(RhO3)4,-7.4316228968,-1.5311451976,0.1358985954,0.1358985954,GGA+U,P-4,AB2C12D4_tP19_81_a_g_3h_2g:Mg-Mo-O-Rh,19.0,"Invalid WP multiplicities - AB2C12D4_tP19_81_a_g_6h_3g:Mg-Mo-O-Rh, expected MgMo2(RhO4)6 to be MgMo2(RhO3)4" +mp-1226387,Cs12Sn2Bi6O,-2.7093378519,-0.4829761535,0.0092231622,0.0092231622,GGA,P-3m1,A6B12CD2_hP21_164_i_2i_a_d:Bi-Cs-O-Sn,21.0,A6B12CD2_hP21_164_i_2i_a_d:Bi-Cs-O-Sn +mp-1111359,Li2CuAuF6,-4.116587128,-1.8506063072,0.3458074337,0.3458074337,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-Li +mp-1215680,ZnCr4CdS8,-6.28909744,-1.0114958554,0.0071370275,0.0071370275,GGA,F-43m,AB4C8D_cF56_216_a_e_2e_c:Cd-Cr-S-Zn,14.0,AB4C8D_cF56_216_a_e_2e_c:Cd-Cr-S-Zn +mp-1192172,La3GaFeS7,-6.4685427633,-1.863435462,0.031236274,0.031236274,GGA,P2_1,ABC3D7_mP24_4_a_a_3a_7a:Fe-Ga-La-S,24.0,"Invalid WP multiplicities - ABC3D7_mP24_4_a_a_6a_13a:Fe-Ga-La-S, expected La6GaFeS13 to be La3GaFeS7" +mp-560051,RbSiBiS4,-4.9196882868,-1.0922396154,0.0,-0.0484956254,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Bi-Rb-S-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_11e_e:Bi-Rb-S-Si, expected RbSiBiS11 to be RbSiBiS4" +mp-1226335,Cs12Sn2Sb6O,-2.8870096867,-0.5782159569,0.0061767999,0.0061767999,GGA,P-3m1,A12BC6D2_hP21_164_2i_a_i_d:Cs-O-Sb-Sn,21.0,A12BC6D2_hP21_164_2i_a_i_d:Cs-O-Sb-Sn +mp-1222300,LuTiFe11C,-8.3113219086,-0.1102260986,0.0428653811,0.0428653811,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Lu-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Lu-Ti +mp-1213006,Er2OsC2,-8.1721585695,-0.4081313625,0.0,-0.0519221462,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-Er-Os,20.0,A2B2C_oP20_62_2c_2c_c:C-Er-Os +mp-1202967,Er3Si13Os4,-6.8684958275,-0.4114078005,0.0666726905,0.0666726905,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Er-Os-Si,40.0,A3B4C13_cP40_223_c_e_ak:Er-Os-Si +mp-1213108,Er12(OsC3)5,-8.1554372741,-0.3623296098,0.0082384193,0.0082384193,GGA,P-62m,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Os,32.0,A15B12C5_hP32_189_3fk_2gj_df:C-Er-Os +mp-1206269,ErSiOs2C,-8.83907659,-0.5037891515,0.0,-0.0403963508,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Er-Os-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Er-Os-Si +mp-3958,Er(SiOs)2,-8.292857184,-0.718239238,0.0,-0.2304207732,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Er-Os-Si,5.0,AB2C2_tI10_139_a_d_e:Er-Os-Si +mp-755375,Lu2Pb2O7,-7.1821310845,-2.5372205247,0.0470685633,0.0470685633,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Lu-O-Pb, expected LuPbO10 to be Lu2Pb2O7" +mp-14760,LuAl3(PbO4)2,-7.4642494168,-2.9816435711,0.0385502171,0.0385502171,GGA,Pn-3m,A3BC8D2_cP56_224_f_b_ek_e:Al-Lu-O-Pb,56.0,A3BC8D2_cP56_224_f_b_ek_e:Al-Lu-O-Pb +mp-1264119,Yb3Si2ClO8,-7.0575161157,-2.9938370264,0.0605134587,0.0605134587,GGA,P-1,AB8C2D3_aP56_2_2i_16i_4i_6i:Cl-O-Si-Yb,,"Invalid WP multiplicities - AB8C2D3_mP56_14_e_29e_6e_7e:Cl-O-Si-Yb, expected Yb7Si6ClO29 to be Yb3Si2ClO8" +mp-613785,Yb3Si2ClO8,-7.0554528784,-2.9917737891,0.062576696,0.062576696,GGA,Pnma,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Si-Yb,,"Invalid WP multiplicities - AB8C2D3_oP56_62_c_26d_d_2c3d:Cl-O-Si-Yb, expected Yb8Si2ClO52 to be Yb3Si2ClO8" +mp-1110825,Rb2CeAgI6,-3.391830286,-1.4351391457,0.0473498367,0.0473498367,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-I-Rb +mp-1113095,Cs2InGaI6,-2.806812464,-1.1657342043,0.0188489476,0.0188489476,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-In,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-In +mp-1205613,Rb3SmF6,-5.371103635,-3.4581974192,0.0642414167,0.0642414167,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-Sm,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-Sm +mp-1205612,Rb3SmF6,-5.402759759,-3.4898535432,0.0325852927,0.0325852927,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Rb-Sm,10.0,A6B3C_cF40_225_e_ac_b:F-Rb-Sm +mp-1209116,RbSm3F10,-6.7094022593,-4.2628963912,0.0,-0.0411587746,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-Rb-Sm,28.0,A10BC3_cF112_225_fh_c_e:F-Rb-Sm +mp-1206690,Rb2NaSmF6,-5.489313319,-3.5422079812,0.0,-0.0069741293,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sm,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sm +mp-1112215,K2TmCuCl6,-4.30167083,-2.1129648353,0.0523137967,0.0523137967,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tm,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tm +mp-1225447,ErPaO4,-9.8448902683,-4.2000338825,0.0,-0.4711232867,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Er-O-Pa,6.0,AB4C_tP6_123_a_i_d:Er-O-Pa +mp-675871,ErPaO4,-8.6780440533,-3.0331876675,1.166846215,0.6957229283,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Er-O-Pa,12.0,AB4C_tI24_141_a_f_b:Er-O-Pa +mp-1184187,Er2Pa2O5,-8.8447027744,-2.9671238304000003,0.6316905767000001,0.6316905767000001,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Er-O-Pa,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Er-O-Pa, expected Er2Pa2O9 to be Er2Pa2O5" +mp-1205790,Ba2ErPaO6,-8.526972167,-3.7669256052,0.0,-0.117193734,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Pa,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Pa +mp-1110656,Rb2LiBiF6,-4.858913384,-2.9409779893,0.0115398215,0.0115398215,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-Li-Rb +mp-1221300,Na4Eu2GeP4,-5.3634975623,-0.6289209572000001,0.0,-0.0149999873,GGA,Cc,A2BC4D4_mC44_9_2a_a_4a_4a:Eu-Ge-Na-P,22.0,"Invalid WP multiplicities - A2BC4D4_mC44_9_4a_a_7a_7a:Eu-Ge-Na-P, expected Na7Eu4GeP7 to be Na4Eu2GeP4" +mp-1104707,Na(GeP)3,-4.6600609957,-0.1698443702,0.0,-0.0242318339,GGA,Pmc2_1,A3BC3_oP14_26_2ab_a_a2b:Ge-Na-P,14.0,A3BC3_oP14_26_2ab_a_a2b:Ge-Na-P +mp-4172,Na5GeP3,-3.4096948192,-0.3568546145,0.0,-0.0373358885,GGA,P2_1/c,AB5C3_mP36_14_e_5e_3e:Ge-Na-P,36.0,"Invalid WP multiplicities - AB5C3_mP36_14_e_8e_5e:Ge-Na-P, expected Na8GeP5 to be Na5GeP3" +mp-1232992,LiPr2(BrO2)2,-6.0774618867,-2.259290122,0.3087425908,0.3087425908,GGA,P1,A2BC4D2_aP9_1_2a_a_4a_2a:Br-Li-O-Pr,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:Br-Li-O-Pr +mp-1235284,LiPr2(BrO2)2,-5.9508303089000005,-2.1326585443,0.4353741686,0.4353741686,GGA,P1,A2BC4D2_aP9_1_2a_a_4a_2a:Br-Li-O-Pr,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:Br-Li-O-Pr +mp-1235538,LiPr2(BrO2)2,-6.1745036244,-2.3563318598,0.211700853,0.211700853,GGA,Pm,A2BC4D2_mP9_6_ab_a_2a2b_ab:Br-Li-O-Pr,9.0,A2BC4D2_mP9_6_ab_a_2a2b_ab:Br-Li-O-Pr +mp-1236645,LiPr2(BrO2)2,-6.1691491522,-2.3509773876,0.2170553252,0.2170553252,GGA,Pm,A2BC4D2_mP9_6_ab_a_2a2b_ab:Br-Li-O-Pr,9.0,A2BC4D2_mP9_6_ab_a_2a2b_ab:Br-Li-O-Pr +mp-1111360,Li2CuAsF6,-4.528226447,-2.1237219857,0.4054073653,0.4054073653,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Li,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Li +mp-15686,Li2CuAs,-3.6628963437,-0.5188536417,0.0,-0.0264179098,GGA,P6_3/mmc,ABC2_hP8_194_c_b_f:As-Cu-Li,8.0,ABC2_hP8_194_c_b_f:As-Cu-Li +mp-1224525,Li12Cu11As12,-3.914612246,-0.3743902851,0.0,-0.0186049309,GGA,P3m1,A12B11C12_hP35_156_4a8b_7a4b_12c:As-Cu-Li,35.0,A12B11C12_hP35_156_4a8b_7a4b_12c:As-Cu-Li +mp-978847,SrGaGeH,-3.7041610775,-0.5208252335,0.0,-0.03719777,GGA,P3m1,ABCD_hP4_156_a_b_a_c:Ga-Ge-H-Sr,4.0,ABCD_hP4_156_a_b_a_c:Ga-Ge-H-Sr +mp-1201169,P4Se3Br2,-4.3835419803,-0.4672085225,0.0,-0.0063877374,GGA,C2/c,A2B4C3_mC72_15_2f_4f_2e2f:Br-P-Se,36.0,A2B4C3_mC72_15_2f_4f_2e2f:Br-P-Se +mp-1200788,Cu3P8(Se2Br)3,-4.4783889951,-0.4164592992,0.0,-0.0045298035,GGA,Pnma,A3B3C8D6_oP80_62_cd_cd_4d_3d:Br-Cu-P-Se,80.0,A3B3C8D6_oP80_62_cd_cd_4d_3d:Br-Cu-P-Se +mp-683899,Cu2P8Se3Br2,-4.6927950653,-0.3528867662,0.0,-0.0179901934,GGA,Pbcm,A2B2C8D3_oP60_57_2d_2d_4e_ce:Br-Cu-P-Se,60.0,"Invalid WP multiplicities - A2B2C8D3_oP60_57_3d_5d_25e_4c4e:Br-Cu-P-Se, expected Cu5P50(Se4Br)3 to be Cu2P8Se3Br2" +mp-680446,Cu3P4Se4Br3,-4.2390860092,-0.4824030851,0.0,-0.0072401637,GGA,P2_1,A3B3C4D4_mP168_4_18a_18a_24a_24a:Br-Cu-P-Se,168.0,"Invalid WP multiplicities - A3B3C4D4_mP168_4_36a_34a_48a_48a:Br-Cu-P-Se, expected Cu17P24(Se4Br3)6 to be Cu3P4Se4Br3" +mp-1207566,YbNb5Ag2O15,-8.3719301498,-2.63664423,0.0710723069,0.0710723069,GGA,P4/mbm,A2B5C15D_tP46_127_g_cj_dhi2j_a:Ag-Nb-O-Yb,,A2B5C15D_tP46_127_g_cj_dhi2j_a:Ag-Nb-O-Yb +mp-11634,KSmGeSe4,-4.8960582614,-1.4052498546,0.0,-0.0140545695,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:Ge-K-Se-Sm,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_5a_a:Ge-K-Se-Sm, expected KSmGeSe5 to be KSmGeSe4" +mp-1517039,Ba2CePrO6,-7.6975261372,-3.2743184315,0.0641913963,0.0641913963,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Pr +mp-1516858,Ba2CePrO6,-7.652713186,-3.2295054802,0.1090043475,0.1090043475,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Pr +mp-1226529,CePr2O6,-8.3409188078,-3.3214707042,0.0637775211,0.0637775211,GGA,I4/mmm,AB6C2_tI18_139_a_dg_e:Ce-O-Pr,9.0,"Invalid WP multiplicities - AB6C2_tI18_139_a_2d3g_e:Ce-O-Pr, expected CePr2O16 to be CePr2O6" +mp-1226481,CePrO4,-8.548441455,-3.4649831625,0.0562808308,0.0562808308,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-O-Pr,6.0,AB4C_tP6_123_a_i_d:Ce-O-Pr +mp-1226497,CePrO4,-8.5481766633,-3.4647183708,0.0565456225,0.0565456225,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ce-O-Pr,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ce-O-Pr, expected CePrO6 to be CePrO4" +mp-1226860,Ce3PrO8,-8.8724390992,-3.6929655233,0.0323221221,0.0323221221,GGA,I4/mmm,A3B8C_tI24_139_ad_m_b:Ce-O-Pr,12.0,"Invalid WP multiplicities - A3B8C_tI24_139_a2d_m_b:Ce-O-Pr, expected Ce5PrO8 to be Ce3PrO8" +mp-1226562,CePr3O8,-8.2279240658,-3.2404810567,0.0767592846,0.0767592846,GGA,R-3m,AB8C3_hR36_166_a_4c_bc:Ce-O-Pr,12.0,"Invalid WP multiplicities - AB8C3_hR36_166_a_7c_b2c:Ce-O-Pr, expected CePr5O14 to be CePr3O8" +mp-1226557,CePr4O10,-8.167779958,-3.1995400055,0.0768956053,0.0768956053,GGA,I4/m,AB10C4_tI30_87_a_di_h:Ce-O-Pr,15.0,"Invalid WP multiplicities - AB10C4_tI30_87_a_2d2i_h:Ce-O-Pr, expected CePr4O20 to be CePr4O10" +mp-1226585,CePr4O10,-8.16751063,-3.1992706775,0.0771649333,0.0771649333,GGA,I4/mmm,AB10C4_tI30_139_a_d2g_2e:Ce-O-Pr,15.0,"Invalid WP multiplicities - AB10C4_tI30_139_a_2d6g_3e:Ce-O-Pr, expected CePr6O28 to be CePr4O10" +mp-1226608,CePr4O10,-8.1674337633,-3.1991938108,0.0772418,0.0772418,GGA,R-3m,AB10C4_hR45_166_a_5c_2c:Ce-O-Pr,15.0,"Invalid WP multiplicities - AB10C4_hR45_166_a_10c_3c:Ce-O-Pr, expected CePr6O20 to be CePr4O10" +mp-755658,CePrO2,-8.2843829025,-3.1325398194,0.0414675236,0.0414675236,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ce-O-Pr,8.0,AB2C_tI16_141_a_e_b:Ce-O-Pr +mp-1178453,CePrO2,-8.28626889,-3.1344258069,0.0395815361,0.0395815361,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-O-Pr,4.0,AB2C_hR12_166_a_c_b:Ce-O-Pr +mp-1226790,Ce2PrO6,-8.7626467567,-3.6151782753,0.0421014861,0.0421014861,GGA,Immm,A2B6C_oI18_71_e_gn_b:Ce-O-Pr,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g3n_b:Ce-O-Pr, expected Ce2PrO16 to be Ce2PrO6" +mp-29974,RbLi7Ge8,-3.4513561931,-0.2434051319,0.0262602898,0.0262602898,GGA,P6_3mc,A8B7C_hP64_186_b3cd_2a4c_2b:Ge-Li-Rb,64.0,A8B7C_hP64_186_b3cd_2a4c_2b:Ge-Li-Rb +mp-8450,Rb2Li2GeO4,-5.4782070261,-2.1239074063,0.0,-0.0257894224,GGA,P-1,AB2C4D2_aP18_2_i_2i_4i_2i:Ge-Li-O-Rb,18.0,AB2C4D2_aP18_2_i_2i_4i_2i:Ge-Li-O-Rb +mp-33449,Tb5AgS8,-6.3365747307,-2.1154329137,0.0302978724,0.0302978724,GGA,I-4,AB8C5_tI28_82_a_2g_cg:Ag-S-Tb,14.0,"Invalid WP multiplicities - AB8C5_tI28_82_a_5g_c2g:Ag-S-Tb, expected Tb9AgS20 to be Tb5AgS8" +mp-1193223,Ba(TbS2)2,-6.3843836732,-2.4224541579,0.0,-0.0596468129,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-S-Tb,28.0,AB4C2_oP28_62_c_4c_2c:Ba-S-Tb +mp-1095340,BaTbAgS3,-5.4930924692,-1.8605513618,0.0,-0.0022302119,GGA,C2/m,ABC3D_mC24_12_i_i_ad2i_i:Ag-Ba-S-Tb,12.0,ABC3D_mC24_12_i_i_ac2i_i:Ag-Ba-S-Tb +mp-7480,RbLuO2,-6.9546086225,-3.1058931187,0.0,-0.0654139166,GGA,R-3m,AB2C_hR12_166_a_c_b:Lu-O-Rb,4.0,AB2C_hR12_166_a_c_b:Lu-O-Rb +mp-1209266,RbLu(MoO4)2,-8.0881382888,-2.5242804135,0.0325181744,0.0325181744,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Lu-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Lu-Mo-O-Rb +mp-755794,Rb3LuO3,-5.44258645,-2.2564980398,0.0094365064,0.0041233729,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Lu-O-Rb,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2i3j_2g2hi:Lu-O-Rb, expected Rb5LuO8 to be Rb3LuO3" +mp-772821,Rb3LuO3,-5.4520229564000005,-2.2659345462,0.0,-0.0053131336,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Lu-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Lu-O-Rb, expected Rb9LuO9 to be Rb3LuO3" +mp-5861,Tm2Fe14B,-8.0159877259,-0.1212018696,0.0,-0.0030272533,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Tm,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Tm +mp-12076,Tm(FeB)2,-7.4082435,-0.453311223,0.0,-0.0085167739,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Fe-Tm,5.0,A2B2C_tI10_139_e_d_a:B-Fe-Tm +mp-1225933,DyTmFe14B,-8.0155499196,-0.1130610387,0.0020036581,0.0020036581,GGA,P4_2/mnm,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Tm,68.0,ABC14D_tP68_136_f_g_ce2j2k_f:B-Dy-Fe-Tm +mp-1207990,TmFeB4,-7.261553282499999,-0.6509826631,0.0,-0.1205508215,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Tm,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Tm +mp-1102205,TmFe4B,-7.7645628817,-0.2586775426,0.0,-0.0245812335,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Fe-Tm,12.0,AB4C_hP12_191_c_di_ab:B-Fe-Tm +mp-34309,Pr2EuS4,-7.5754656393,-2.3805209568,0.0,-0.0100211943,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Pr-S,14.0,AB2C4_tI28_122_a_d_e:Eu-Pr-S +mp-1191152,PrEuCuS3,-7.1592337158,-1.9014897449,0.0,-0.0132153454,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Pr-S,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Pr-S +mp-1220024,PrEuCuS3,-7.1490372308,-1.8912932599,0.010196485,-0.0030188604,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Pr-S,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-Eu-Pr-S +mp-2218907,Yb2MgCr2O8,-7.4992571108,-2.6100954769,0.1265492817,0.1265492817,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Yb,,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Cr-Mg-O-Yb, expected Yb2MgCr2O14 to be Yb2MgCr2O8" +mp-1190842,Rb6HgS4,-3.1721757927,-1.105568132,0.0,-0.0504630429,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Hg-Rb-S,22.0,AB6C4_hP22_186_b_2c_bc:Hg-Rb-S +mp-561434,Rb2Sn2Hg3S8,-3.7263369607,-0.794146835,0.0,-0.0336611458,GGA,P2_1/c,A3B2C8D2_mP30_14_ae_e_4e_e:Hg-Rb-S-Sn,30.0,"Invalid WP multiplicities - A3B2C8D2_mP30_14_2a2e_e_15e_e:Hg-Rb-S-Sn, expected RbSn(HgS5)3 to be Rb2Sn2Hg3S8" +mp-17272,NbCuO3,-8.1084560835,-2.3003405148,0.0177181853,0.0177181853,GGA,C2/m,ABC3_mC40_12_gi_hi_2i2j:Cu-Nb-O,20.0,ABC3_mC40_12_gi_hi_2i2j:Cu-Nb-O +mp-27383,Nb3CuO8,-8.8625682423,-2.6978489523,0.0384920387,0.0384920387,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:Cu-Nb-O,48.0,AB3C8_mP48_14_e_3e_8e:Cu-Nb-O +mp-1103953,Nb2Cu3O8,-7.5476215315,-2.0034877023,0.0662342152,0.0662342152,GGA,P-1,A3B2C8_aP13_2_ai_i_4i:Cu-Nb-O,13.0,A3B2C8_aP13_2_ai_i_4i:Cu-Nb-O +mp-1217940,TaNbCu3O8,-7.75871646,-2.0794693546,0.0713897478,0.0713897478,GGA,P1,A3BC8D_aP13_1_3a_a_8a_a:Cu-Nb-O-Ta,13.0,A3BC8D_aP13_1_3a_a_8a_a:Cu-Nb-O-Ta +mp-2646914,Nb8Cu2O21,-8.9878090844,-2.7655730651,0.0382328115,0.0382328115,GGA,C2/m,A2B8C21_mC62_12_h_4i_a4i3j:Cu-Nb-O,62.0,A2B8C21_mC62_12_h_4i_a4i3j:Cu-Nb-O +mp-1147615,Nb(Cu3O4)2,-6.265896186,-1.3145592027,0.0870810903,0.0870810903,GGA,Fm-3m,A6BC8_cF60_225_d_a_f:Cu-Nb-O,15.0,A6BC8_cF60_225_d_a_f:Cu-Nb-O +mp-1204490,Nb2CuO6,-8.5283617039,-2.5303673686,0.0399282503,0.0399282503,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Cu-Nb-O,36.0,AB2C6_mP36_14_e_2e_6e:Cu-Nb-O +mp-4643,Nb2CuO6,-8.5253533022,-2.5273589669,0.042936652,0.042936652,GGA,Pbcn,AB2C6_oP36_60_c_d_3d:Cu-Nb-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_5d:Cu-Nb-O, expected Nb2CuO10 to be Nb2CuO6" +mp-690575,Nb2NiO6,-7.5942414039,-1.4094770675,1.250643635,1.2264759817,GGA+U,C2/m,A2BC6_mC36_12_aci_i_g3ij:Nb-Ni-O,18.0,"Invalid WP multiplicities - A2BC6_mC36_12_adi_i_g5i2j:Nb-Ni-O, expected Nb2NiO10 to be Nb2NiO6" +mp-1173492,Nb2NiO6,-8.7805961383,-2.5958318019,0.0642889006,0.0401212473,GGA+U,C2/m,A2BC6_mC36_12_aci_i_g3ij:Nb-Ni-O,18.0,A2BC6_mC36_12_adi_i_g3ij:Nb-Ni-O +mp-22198,Nb2NiO6,-8.8448850389,-2.6601207025,0.0,-0.0241676533,GGA+U,Pbcn,A2BC6_oP36_60_d_c_3d:Nb-Ni-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_d_c_4d:Nb-Ni-O, expected Nb2NiO8 to be Nb2NiO6" +mp-766838,Nb2NiO6,-8.8120852853,-2.6273209489,0.0327997536,0.0086321003,GGA+U,P4_2/mnm,A2BC6_tP18_136_e_a_fj:Nb-Ni-O,36.0,A2BC6_tP18_136_e_a_fj:Nb-Ni-O +mp-1370479,Nb2Ni2O9,-7.5673021,-1.6993727276,0.3302580064,0.3302580064,GGA+U,P6_3/mcm,A2B2C9_hP26_193_e_d_gk:Nb-Ni-O,26.0,"Invalid WP multiplicities - A2B2C9_hP26_193_e_d_4g5k:Nb-Ni-O, expected NbNiO21 to be Nb2Ni2O9" +mp-1046973,Nb2Zn2NiO8,-7.6046337227,-2.3680380558,0.0248255873,0.0248255873,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Nb-Ni-O-Zn,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_15_f_e_5f_f:Nb-Ni-O-Zn, expected Nb2Zn2NiO10 to be Nb2Zn2NiO8" +mp-651075,Nb2Ni4O9,-7.931689094,-2.0754654139,0.0080955863,0.0080955863,GGA+U,Fdd2,A2B4C9_oF480_43_4b_4a6b_18b:Nb-Ni-O,120.0,"Invalid WP multiplicities - A2B4C9_oF480_43_15b_7a23b_70b:Nb-Ni-O, expected Nb30Ni53O140 to be Nb2Ni4O9" +mp-646749,Nb2Ni4O9,-7.9333513198,-2.0771276398,0.0064333605,0.0064333605,GGA+U,Pbcn,A2B4C9_oP60_60_d_2d_c4d:Nb-Ni-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_60_d_11d_4c24d:Nb-Ni-O, expected NbNi11O26 to be Nb2Ni4O9" +mp-541419,Nb6Ni6O,-7.20860905,0.5018016447,1.0495862002,1.0495862002,GGA+U,Fd-3m,A6B6C_cF104_227_f_ce_b:Nb-Ni-O,26.0,A6B6C_cF104_227_f_ce_b:Nb-Ni-O +mp-1095804,NbZnNi2,-3.1238633675,2.606467135,2.8561576658,2.8561576658,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ni-Zn,4.0,AB2C_oI8_71_a_e_b:Nb-Ni-Zn +mp-2227657,MgZr2(BiO4)2,-7.8341543992,-2.7610644562,0.10866013,0.10866013,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Bi-Mg-O-Zr,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Bi-Mg-O-Zr +mp-1027876,Mg14ZrBi,-2.1918053369,-0.0172984331,0.0530071582,0.0530071582,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Zr, expected Mg18ZrBi to be Mg14ZrBi" +mp-1027870,Mg14ZrBi,-2.1808140131,-0.0063071094,0.063998482,0.063998482,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Zr, expected Mg26ZrBi to be Mg14ZrBi" +mp-752685,ZrBiO4,-7.9813964558,-2.6189056883,0.0268909783,0.0268909783,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Bi-O-Zr,24.0,"Invalid WP multiplicities - AB4C_aP24_2_3i_15i_3i:Bi-O-Zr, expected ZrBiO5 to be ZrBiO4" +mp-754588,ZrBiO4,-7.92972364,-2.5672328725,0.0785637942,0.0785637942,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Bi-O-Zr,12.0,AB4C_tI24_88_a_f_b:Bi-O-Zr +mp-1022345,Mg6ZrBi,-2.7606853331,-0.0119515756,0.1052601085,0.1052601085,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Zr, expected Mg12ZrBi to be Mg6ZrBi" +mp-1022454,Mg6ZrBi,-2.7642578031,-0.0155240456,0.1016876385,0.1016876385,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Zr, expected Mg12ZrBi to be Mg6ZrBi" +mp-769650,Zr2Bi2O7,-8.1832630741,-2.7829721197,0.0532405186,0.0532405186,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Bi-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Bi-O-Zr, expected Zr7Bi7O27 to be Zr2Bi2O7" +mp-756175,Zr2Bi2O7,-8.1798237027,-2.7795327483000003,0.05667989,0.05667989,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Bi-O-Zr, expected ZrBiO7 to be Zr2Bi2O7" +mp-1042772,MgCrAs2O7,-7.081644503,-2.0636094749,0.0747137156,0.0747137156,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Cr-Mg-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Cr-Mg-O +mp-1047507,Mg3Cr3(AsO4)4,-7.1979307992,-2.1385663546,0.1217893756,0.1217893756,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Cr-Mg-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Cr-Mg-O, expected Mg3Cr3(As5O29)2 to be Mg3Cr3(AsO4)4" +mp-1340889,MgCrAsO5,-7.2787430347,-2.1980068495,0.1189170394,0.1189170394,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Cr-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Cr-Mg-O +mp-553962,Rb2LiNbS4,-5.2873305225,-1.4726935826,0.0,-0.0095799061,GGA,P-1,ABC2D4_aP32_2_2i_2i_4i_8i:Li-Nb-Rb-S,32.0,"Invalid WP multiplicities - ABC2D4_aP32_2_4i_2i_6i_15i:Li-Nb-Rb-S, expected Rb6Li4Nb2S15 to be Rb2LiNbS4" +mp-1221700,MnFeSeS,-6.6093229575,-0.2932234958,0.3823671087,0.3823671087,GGA,R3m,ABCD_hR12_160_a_a_a_a:Fe-Mn-S-Se,4.0,ABCD_hR12_160_a_a_a_a:Fe-Mn-S-Se +mp-1220096,NdTiFe11C,-8.2624521393,-0.043699407,0.0718808252,0.0718808252,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Nd-Ti,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Nd-Ti +mp-1025323,Dy2Cr2C3,-8.3341854914,-0.3048047632,0.0,-0.0725320563,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Dy,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Dy +mp-19909,Dy(CrSi)2,-7.351199868,-0.3984962999999999,0.1125594188,0.1125594188,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Dy-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Dy-Si +mp-1206533,DyCr2Si2C,-7.7684236917,-0.4363931362,0.0,-0.0060111022,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:C-Cr-Dy-Si,6.0,AB2CD2_tP6_123_b_e_a_h:C-Cr-Dy-Si +mp-560297,LiTaSiO5,-8.6872089303,-3.1965261699,0.0,-0.0160440559,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Li-O-Si-Ta,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_19e_e_e:Li-O-Si-Ta, expected LiTaSiO19 to be LiTaSiO5" +mp-2233328,Lu4MgTi2O10,-8.5791594553,-3.5825739685,0.1773875754,0.1773875754,GGA,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Lu-Mg-O-Ti,17.0,A4BC10D2_oC34_38_2c_a_ab4c_ab:Lu-Mg-O-Ti +mp-2229951,Lu4MgTi2O10,-8.5635628488,-3.5669773620000003,0.1929841819,0.1929841819,GGA,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Lu-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_mC34_12_4i_a_9i_i:Lu-Mg-O-Ti, expected Lu8MgTi2O18 to be Lu4MgTi2O10" +mp-2241022,Lu4MgTi2O10,-8.5794743612,-3.5828888744,0.1770726695,0.1770726695,GGA,Amm2,A4BC10D2_oC34_38_2c_a_ab4c_ab:Lu-Mg-O-Ti,17.0,A4BC10D2_oC34_38_2c_a_ab4c_ab:Lu-Mg-O-Ti +mp-1111966,Cs2RbNbF6,-5.428184413,-2.9940326468,0.0576915383,0.0576915383,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Nb-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Nb-Rb +mp-1111043,CsRb2NbF6,-5.360668541,-2.9180036048,0.1343872257,0.1343872257,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Nb-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Nb-Rb +mp-555716,Tm2Ru2O7,-8.2603776305,-2.6124415481,0.0437924589,0.0437924589,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Tm,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Ru-Tm, expected TmRuO10 to be Tm2Ru2O7" +mp-1214117,Ca2TmRuO6,-7.639964353,-2.8958073539,0.0,-0.0205482021,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Ru-Tm,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Ru-Tm +mp-17400,Ba2TaN3,-8.0387060075,-1.25450396,0.0,-0.2288136311,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Ba-N-Ta,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_4f_2e2f_f:Ba-N-Ta, expected Ba4TaN3 to be Ba2TaN3" +mp-1246320,Ba3(TaN2)2,-7.9291531489,-0.9493242844,0.1925091984,0.1925091984,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ta,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ta +mp-1246804,Ba3(TaN2)2,-8.021680735,-1.0418518706,0.0999816123,0.0999816123,GGA,Imma,A3B4C2_oI36_74_eh_gh_h:Ba-N-Ta,18.0,A3B4C2_oI36_74_eh_gh_h:Ba-N-Ta +mp-1246332,Ba3Ta3N5,-8.5350199314,-0.9884079009,0.195772002,0.195772002,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ta,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ta +mp-1197445,TaN2Cl5,-4.8296914359,-0.1080100884,1.2840105628,1.2840105628,GGA,P4/mnc,A5B2C_tP32_128_ei_abd_e:Cl-N-Ta,32.0,A5B2C_tP32_128_ei_abd_e:Cl-N-Ta +mp-726132,TaN2Cl5,-4.83088782,-0.1092064725,1.2828141787,1.2828141787,GGA,I4/mmm,A5B2C_tI32_139_em_abd_e:Cl-N-Ta,16.0,A5B2C_tI32_139_em_abd_e:Cl-N-Ta +mp-1029616,Ba(TaN2)2,-9.7097841225,-1.2839969939,0.0,-0.0197281961,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Ta,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Ta +mp-1208579,TaNCl6,-4.613403705,-0.7027171406,0.6893035106000001,0.6893035106000001,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-N-Ta,16.0,A6BC_mC32_15_3f_e_a:Cl-N-Ta +mp-667314,Ba9(TaN6)2,-7.0576851352,-0.9261951865,0.0488547125,0.0488547125,GGA,P-1,A9B12C2_aP46_2_9i_12i_2i:Ba-N-Ta,46.0,"Invalid WP multiplicities - A9B12C2_aP46_2_17i_24i_3i:Ba-N-Ta, expected Ba17(TaN8)3 to be Ba9(TaN6)2" +mp-1195508,Ba3TaN3Cl2,-6.9741455556,-1.8273388283,0.0,-0.001589995,GGA,P6_3cm,A3B2C3D_hP54_185_cd_abc_cd_c:Ba-Cl-N-Ta,54.0,A3B2C3D_hP54_185_cd_abc_cd_c:Ba-Cl-N-Ta +mp-1218199,Ta5N10Cl17,-5.6840690828,-0.2441015634,1.108661647,1.108661647,GGA,I4mm,A17B10C5_tI64_107_a2de_b2c_ad:Cl-N-Ta,32.0,A17B10C5_tI64_107_a2de_b2c_ad:Cl-N-Ta +mp-1247074,Ba3TaN3,-7.0028580864,-0.9136884829,0.1616006257,0.1616006257,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Ta,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Ta +mp-1029442,Mg2TaN3,-7.92277408,-1.2448036625,0.0,-0.1463540992,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-Ta,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-Ta +mp-1221934,MgTaN2,-8.7847370825,-1.2519752,0.0603128708,0.0603128708,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Mg-N-Ta,4.0,AB2C_tP4_123_a_bc_d:Mg-N-Ta +mp-36800,MgTaN2,-8.8073025437,-1.2745406612,0.0377474096,0.0377474096,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Mg-N-Ta,8.0,AB2C_tI16_141_a_e_b:Mg-N-Ta +mp-37550,Mg2Ta3N5,-9.3068777915,-1.26124103,0.0915376858,0.0915376858,GGA,C2/c,A2B5C3_mC40_15_2e_c2f_3e:Mg-N-Ta,20.0,"Invalid WP multiplicities - A2B5C3_mC40_15_2e_2a7f_5e:Mg-N-Ta, expected Mg2Ta5N16 to be Mg2Ta3N5" +mp-1222008,MgTa2N3,-9.6296242533,-1.2420709058,0.1377015733,0.0584836053,GGA,Immm,AB3C2_oI12_71_a_cf_e:Mg-N-Ta,6.0,AB3C2_oI12_71_a_cf_e:Mg-N-Ta +mp-39105,MgTa2N3,-9.7673258267,-1.3797724792,0.0,-0.0792179681,GGA,P6_3/mcm,AB3C2_hP24_193_d_k_bg:Mg-N-Ta,24.0,"Invalid WP multiplicities - AB3C2_hP24_193_d_k_b2g:Mg-N-Ta, expected Mg2Ta7N6 to be MgTa2N3" +mp-1112133,Cs2RbAlI6,-2.930247999,-1.3945367243,0.0512802638,0.0512802638,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-Rb,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-Rb +mp-1111837,CsRb2AlI6,-2.87663813,-1.3324136853000002,0.1054866617,0.1054866617,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cs-I-Rb,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cs-I-Rb +mp-1112204,K2GaHgBr6,-2.884684903,-1.3976104769,0.1409685245,0.1409685245,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-K,10.0,A6BCD2_cF40_225_e_a_b_c:Br-Ga-Hg-K +mp-1190642,Er2Fe12P7,-7.8015603662,-0.7220932383,0.0,-0.0151629301,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Fe-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Er-Fe-P +mp-7788,Er2Co12P7,-7.1110733181,-0.8097224273,0.0,-0.0049840125,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Er-P,21.0,"Invalid WP multiplicities - A12B2C7_hP21_174_4j4k_ad_ej2k:Co-Er-P, expected ErCo12P5 to be Er2Co12P7" +mp-1195740,ErCo5P3,-7.1126629883,-0.8516390656,0.0,-0.0089557961,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Co-Er-P,36.0,A5BC3_oP36_62_5c_c_3c:Co-Er-P +mp-1225819,Er5Co19P12,-7.0908164719,-0.9003647432,0.0,-0.0006713838,GGA,P-62m,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Er-P,36.0,A19B5C12_hP36_189_afgjk_cg_2fk:Co-Er-P +mp-1200519,ErFe5P3,-7.7658917722,-0.7483659522,0.0,-0.0029127322,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Er-Fe-P,36.0,AB5C3_oP36_62_c_5c_3c:Er-Fe-P +mp-1095664,FeCoP,-7.5477056558,-0.5504918186000001,0.0,-0.0596663415,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Fe-P,12.0,ABC_oP12_62_c_c_c:Co-Fe-P +mp-1225690,Er2Fe6Co6P7,-7.4815539648,-0.7911449554000001,0.0,-0.021856376,GGA,P-6,A6B2C6D7_hP21_174_2j_ad_2k_ejk:Co-Er-Fe-P,21.0,A6B2C6D7_hP21_174_2j_ad_2k_ejk:Co-Er-Fe-P +mp-1200950,Er6Co30P19,-7.0910953896,-0.8454845835,0.0,-0.0009126583,GGA,P-6,A30B6C19_hP55_174_5j5k_jk_a3j3k:Co-Er-P,55.0,A30B6C19_hP55_174_5j5k_jk_a3j3k:Co-Er-P +mp-1197872,ErCo3P2,-7.0676271881,-0.9477476533,0.0,-0.0222523362,GGA,Pmmn,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Er-P,36.0,A3BC2_oP36_59_2ab3e_be_2a2e:Co-Er-P +mp-1210957,LiTiNiF6,-6.0859751704,-3.0800390183,0.0967969716,0.0967969716,GGA+U,P321,A6BCD_hP27_150_3g_f_ad_e:F-Li-Ni-Ti,27.0,A6BCD_hP27_150_3g_f_ad_e:F-Li-Ni-Ti +mp-726709,Ti(NCl3)2,-3.8677558467,0.0944332452,1.2506432922,1.2506432922,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Ti,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Ti +mp-1029424,LiTi2N3,-8.6499402492,-1.5317083033,0.0,-0.0713256388,GGA,Cmcm,AB3C2_oC24_63_c_cg_g:Li-N-Ti,12.0,AB3C2_oC24_63_c_cg_g:Li-N-Ti +mp-686129,Li5TiN3,-5.6911141663,-0.9744929302,0.0,-0.1130982008,GGA,P1,A5B3C_aP144_1_80a_48a_16a:Li-N-Ti,144.0,A5B3C_aP144_1_80a_48a_16a:Li-N-Ti +mp-573567,Ti(NCl)3,-6.617633005,-1.1246920376,0.1320209693,0.1320209693,GGA,P-1,A3B3C_aP14_2_3i_3i_i:Cl-N-Ti,14.0,"Invalid WP multiplicities - A3B3C_aP14_2_3i_6i_i:Cl-N-Ti, expected Ti(N2Cl)3 to be Ti(NCl)3" +mp-676210,LiTiCl3,-4.938586685,-1.8685817123,0.0949556015,0.0949556015,GGA,Cm,A3BC_mC40_8_4a4b_4a_2ab:Cl-Li-Ti,20.0,A3BC_mC40_8_4a4b_4a_2ab:Cl-Li-Ti +mp-675460,LiTiCl3,-4.83146375,-1.7614587773,0.2020785365,0.2020785365,GGA,P4/mmm,A3BC_tP5_123_ae_d_b:Cl-Li-Ti,5.0,A3BC_tP5_123_ae_d_b:Cl-Li-Ti +mp-1078503,LiTiNCl,-6.7266306288,-1.7292690117,0.2876951875,0.2876951875,GGA,Pmmn,ABCD_oP8_59_a_a_a_b:Cl-Li-N-Ti,8.0,ABCD_oP8_59_a_a_a_b:Cl-Li-N-Ti +mp-27850,TiNCl,-7.8865719667,-1.8597307661,0.0,-0.0440711738,GGA,Pmmn,ABC_oP6_59_a_a_b:Cl-N-Ti,6.0,ABC_oP6_59_a_a_b:Cl-N-Ti +mp-1245502,Li2TiN2,-6.86234202,-1.1850765,0.0123025795,0.0123025795,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Ti,5.0,A2B2C_hP5_164_d_d_a:Li-N-Ti +mp-1245905,Li3TiN2,-5.5730213808,-0.5238129697,0.5232240803,0.5232240803,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-Ti,24.0,A3B2C_tI48_141_eg_h_e:Li-N-Ti +mp-1246937,Li3TiN2,-6.0012401135,-0.9520317024,0.0950053476,0.0950053476,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Ti,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Ti +mp-1212488,GdCrGeO5,-9.4522709347,-2.8165657945,0.0,-0.0170356849,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Gd-Ge-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Gd-Ge-O +mp-557979,MnTl2As2S5,-4.9541005215,-0.5653217485,0.0328652507,0.0328652507,GGA,Cmce,A2BC5D2_oC80_64_g_e_f2g_df:As-Mn-S-Tl,40.0,"Invalid WP multiplicities - A2BC5D2_oC80_64_g_e_4f10g_3d3f:As-Mn-S-Tl, expected MnTl6(AsS12)2 to be MnTl2As2S5" +mp-672298,Eu(MnGe)2,-7.794723566,-0.2293059472,0.1428107423,0.1428107423,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Eu-Ge-Mn,5.0,AB2C2_tI10_139_a_e_d:Eu-Ge-Mn +mp-1226301,Eu2Mn(GeO3)4,-8.1071605403,-2.4477713378,0.0,-0.0408067972,GGA+U,Cmme,A2B4CD12_oC76_67_ac_o_e_mn2o:Eu-Ge-Mn-O,38.0,"Invalid WP multiplicities - A2B4CD12_oC76_67_ac_o_e_2m3n9o:Eu-Ge-Mn-O, expected Eu2Mn(Ge2O23)2 to be Eu2Mn(GeO3)4" +mp-554901,Ga2Mo(SeO5)2,-6.6468417898,-1.7561383083000002,0.0,-0.0016712169,GGA+U,Pnma,A2BC10D2_oP60_62_d_c_4c3d_2c:Ga-Mo-O-Se,60.0,"Invalid WP multiplicities - A2BC10D2_oP60_62_d_c_14c24d_7c:Ga-Mo-O-Se, expected Ga2MoSe7O62 to be Ga2Mo(SeO5)2" +mp-1209925,Nd2ZnSb2O,-4.570453115,-0.570331504,1.105367535,1.105367535,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Nd-O-Sb-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:Nd-O-Sb-Zn +mp-12516,NdZnSbO,-5.6504122075000005,-1.8745169591,0.0,-0.0227194398,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:Nd-O-Sb-Zn,8.0,ABCD_tP8_129_c_a_c_b:Nd-O-Sb-Zn +mp-1206091,Nd2ZnSb3,-1.9762468283,1.8875935375,2.8040596834,2.8040596834,GGA,P4/mmm,A2B3C_tP6_123_g_ag_b:Nd-Sb-Zn,6.0,A2B3C_tP6_123_g_ag_b:Nd-Sb-Zn +mp-1220245,Nd2ZnSb4,-4.7368797386,-0.8351592479000001,0.0,-0.0376723049,GGA,P-4m2,A2B4C_tP7_115_g_abg_c:Nd-Sb-Zn,7.0,A2B4C_tP7_115_g_abg_c:Nd-Sb-Zn +mp-1188578,La5CuPb3,-4.9410645017,-0.5058219011,0.0191657794,0.0191657794,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Cu-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Cu-La-Pb +mp-1025128,LaCuPb,-4.6738920633,-0.424605115,0.0,-0.0297246386,GGA,P6_3mc,ABC_hP6_186_b_a_b:Cu-La-Pb,6.0,ABC_hP6_186_b_a_b:Cu-La-Pb +mp-1018741,LaCuPb,-4.6553944317,-0.4061074833,0.0184976317,-0.011227007,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-La-Pb,6.0,ABC_hP6_194_c_a_d:Cu-La-Pb +mp-1223219,LaCuPbS3,-5.5834061687,-1.3905377611,0.0163531617,0.0163531617,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Cu-La-Pb-S,24.0,ABCD3_oP24_62_c_c_c_3c:Cu-La-Pb-S +mp-1185297,LiAcO3,-6.582202892,-2.4081700904,0.1292566872,0.1292566872,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ac-Li-O,5.0,ABC3_cP5_221_a_b_c:Ac-Li-O +mp-1183923,CsAcO3,-6.161423332,-2.1900946293,0.21955931,0.21955931,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ac-Cs-O,5.0,ABC3_cP5_221_b_a_c:Ac-Cs-O +mp-1236215,CsLiAcO3,-5.8105149483,-2.1829205517,0.3006471783,0.3006471783,GGA,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Ac-Cs-Li-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_b_c_d_a2e:Ac-Cs-Li-O, expected CsLiAcO5 to be CsLiAcO3" +mp-1235446,CsLiAcO3,-5.9246532467,-2.29705885,0.18650888,0.18650888,GGA,R3m,ABCD3_hR18_160_a_a_a_b:Ac-Cs-Li-O,6.0,ABCD3_hR18_160_a_a_a_b:Ac-Cs-Li-O +mp-704546,RbNaCr2O7,-7.0045249807,-1.8921635912,0.0035357502,0.0035357502,GGA+U,P2_1/c,A2BC7D_mP88_14_4e_2e_14e_2e:Cr-Na-O-Rb,88.0,"Invalid WP multiplicities - A2BC7D_mP88_14_11e_4e_55e_3e:Cr-Na-O-Rb, expected Rb3Na4Cr11O55 to be RbNaCr2O7" +mp-580631,Cs2KTbCl6,-4.381735596,-2.5190566209,0.0,-0.033239951,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Tb +mp-1215911,Yb2Mn3Sb3O14,-7.4125823564,-2.3123138057,0.0,-0.0106611644,GGA+U,C2/m,A3B14C3D2_mC44_12_abc_3i2j_de_f:Mn-O-Sb-Yb,,"Invalid WP multiplicities - A3B14C3D2_mC44_12_abc_5i6j_df_e:Mn-O-Sb-Yb, expected Yb2Mn3Sb3O34 to be Yb2Mn3Sb3O14" +mp-1110873,K2AgSbCl6,-3.607287026,-1.5799295163,0.0260734968,0.0260734968,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Sb +mp-1046429,Nb2Zn2SbO8,-7.4029368542,-2.2933516058,0.1271991632,0.1271991632,GGA,P-1,A2B8CD2_aP26_2_2i_8i_i_2i:Nb-O-Sb-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Nb-O-Sb-Zn, expected Nb2Zn2SbO10 to be Nb2Zn2SbO8" +mp-867932,Sm2MgGe2,-4.832887348,-0.776185742,0.0,-0.0796291926,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Ge-Mg-Sm,10.0,A2BC2_tP10_127_g_a_h:Ge-Mg-Sm +mp-1219149,Sm6Mg(GeS7)2,-6.1067662026,-1.8864118241,0.0,-0.0193349099,GGA,P3,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Sm,23.0,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Sm +mp-1105656,Sm4Mg7Ge6,-3.9543498459,-0.5534985506,0.0,-0.0009934263,GGA,C2/m,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Sm,17.0,A6B7C4_mC34_12_3i_a3i_2i:Ge-Mg-Sm +mp-1217727,Tb2MnCrO6,-8.880693247,-3.104300524,0.019794951,0.019794951,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cr-Mn-O-Tb,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_5e_e:Cr-Mn-O-Tb, expected Tb2MnCrO10 to be Tb2MnCrO6" +mp-989567,Cs2RbTlF6,-4.368105382,-2.7078198052,0.0,-0.0324135733,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Tl +mp-1111451,CsRb2TlF6,-4.300774718,-2.6319759711,0.055559483,0.055559483,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Tl +mp-640312,K4In3Ge20,-4.0218553761,-0.127144114,0.0,-0.042930091,GGA,Pm-3n,A20B3C4_cP54_223_ik_c_ad:Ge-In-K,54.0,"Invalid WP multiplicities - A20B3C4_cP54_223_10i10k_c_2a3d:Ge-In-K, expected K11In3Ge200 to be K4In3Ge20" +mp-1211883,K5In4(Ge3As7)2,-3.9366596824,-0.1599509081,0.1129244418,0.1129244418,GGA,C2/m,A14B6C4D5_mC58_12_7i_3i_2i_a2i:As-Ge-In-K,29.0,A14B6C4D5_mC58_12_7i_3i_2i_a2i:As-Ge-In-K +mp-1211256,Li3Sm3(TeO6)2,-7.0214841037,-2.7450139374,0.0,-0.0394074529,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Sm-Te,80.0,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Sm-Te +mp-15626,Rb2NaTiF6,-5.5786932270000005,-3.313897301,0.0,-0.050178417,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Ti +mp-36733,La2CdSe4,-5.346293885,-1.8065010449,0.0903180763,0.0903180763,GGA,I-42d,AB2C4_tI28_122_a_d_e:Cd-La-Se,14.0,AB2C4_tI28_122_a_d_e:Cd-La-Se +mp-1211284,La2Cd(SeO)2,-6.6900398071,-2.735739186,0.0029741329,0.0029741329,GGA,P4_2/nmc,AB2C2D2_tP14_137_a_d_c_d:Cd-La-O-Se,14.0,AB2C2D2_tP14_137_a_d_c_d:Cd-La-O-Se +mp-560130,Fe2Ag(MoO4)3,-7.9668530003,-1.7629744843,0.029974357,0.029974357,GGA+U,P-1,AB2C3D12_aP36_2_i_2i_3i_12i:Ag-Fe-Mo-O,36.0,"Invalid WP multiplicities - AB2C3D12_aP36_2_i_3i_4i_22i:Ag-Fe-Mo-O, expected Fe3Ag(Mo2O11)2 to be Fe2Ag(MoO4)3" +mp-1184234,FeAgO3,-5.926390778,-0.6978621086,0.345822416,0.345822416,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Fe-O,5.0,ABC3_cP5_221_a_b_c:Ag-Fe-O +mp-1212730,FeAg(MoO4)2,-7.7397023138,-1.6924200535,0.0185668462,0.0185668462,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Ag-Fe-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Ag-Fe-Mo-O +mp-1096980,FeAgO2,-6.3575906425,-1.0586019835,0.1637386581,0.1299243744,GGA+U,R3m,ABC2_hR12_160_a_a_2a:Ag-Fe-O,4.0,ABC2_hR12_160_a_a_2a:Ag-Fe-O +mp-19225,FeAgO2,-6.5213293006,-1.2223406417,0.0,-0.0338142837,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Ag-Fe-O,16.0,ABC2_hR12_166_a_b_c:Ag-Fe-O +mp-18966,FeAgO2,-6.5153695425,-1.2163808835,0.0059597581,-0.0278545256,GGA+U,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Fe-O,8.0,ABC2_hP8_194_c_a_f:Ag-Fe-O +mp-1217891,TaTiAl6,-5.63766888,-0.3593283017,0.0,-0.0006943125,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Ta-Ti,8.0,A6BC_tP8_123_adi_b_c:Al-Ta-Ti +mp-1217909,TaTiAlC,-8.8035087062,-0.6216309640000001,0.0,-0.0095705967,GGA,P-3m1,ABCD_hP8_164_d_ab_d_d:Al-C-Ta-Ti,8.0,ABCD_hP8_164_d_ab_d_d:Al-C-Ta-Ti +mp-631484,TaTiAl,-7.0216777567,0.8112707356000001,1.0960068777,1.0960068777,GGA,F-43m,ABC_cF12_216_a_c_b:Al-Ta-Ti,3.0,ABC_cF12_216_a_c_b:Al-Ta-Ti +mp-1214499,BaCrCdF7,-5.8358976552,-3.248371161,0.0003774485,0.0003774485,GGA+U,C2/c,ABCD7_mC80_15_f_ae_f_7f:Ba-Cd-Cr-F,40.0,ABCD7_mC80_15_f_ce_f_7f:Ba-Cd-Cr-F +mp-1112141,Cs2NaScI6,-3.471994257,-1.6433945327,0.0,-0.0375269405,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Sc +mp-1111991,K2TbCuCl6,-4.311340692,-2.1067816296,0.067974504,0.067974504,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Tb +mp-1219588,RbMgCoF6,-5.2618027122,-2.9109131875000003,0.0007127671,0.0007127671,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_e:Co-F-Mg-Rb,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Co-F-Mg-Rb, expected RbMgCoF12 to be RbMgCoF6" +mp-1113852,Rb2TaTlF6,-5.471109223,-2.7060729503000003,0.3283977407,0.3283977407,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ta-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Ta-Tl +mp-989649,CaMoN3,-8.338714055,-0.766567102,0.026769174,0.0002846708,GGA,P2/m,ABC3_mP10_10_m_n_m2n:Ca-Mo-N,10.0,"Invalid WP multiplicities - ABC3_mP10_10_m_n_m4n:Ca-Mo-N, expected CaMoN5 to be CaMoN3" +mp-989635,CaMoN3,-8.365483229,-0.793336276,0.0,-0.0264845032,GGA,C2/m,ABC3_mC20_12_i_i_3i:Ca-Mo-N,10.0,"Invalid WP multiplicities - ABC3_mC20_12_i_i_5i:Ca-Mo-N, expected CaMoN5 to be CaMoN3" +mp-989401,CaMoN3,-8.318599774,-0.7464528210000001,0.046883455,0.0203989518,GGA,Pmm2,ABC3_oP10_25_bd_ac_abcde:Ca-Mo-N,10.0,"Invalid WP multiplicities - ABC3_oP10_25_bd_ac_abcd2e:Ca-Mo-N, expected CaMoN4 to be CaMoN3" +mp-1246580,Ca3(MoN2)2,-7.5096726567,-0.7258860389,0.2292677043,0.2292677043,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Mo-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-Mo-N +mp-1246761,Ca3(MoN2)2,-7.595832615,-0.8120459972,0.1431077459,0.1431077459,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ca-Mo-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ca-Mo-N +mp-1029719,Ca3MoN3,-6.9624622829,-0.9807573507,0.0,-0.0233606945,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-Mo-N,14.0,A3BC3_hP14_176_h_c_h:Ca-Mo-N +mp-1228642,Ba9Ca3(MoN4)4,-7.3249072384,-1.0732168216,0.008361152,0.008361152,GGA,P2_1,A9B3C4D16_mP64_4_9a_3a_4a_16a:Ba-Ca-Mo-N,64.0,A9B3C4D16_mP64_4_9a_3a_4a_16a:Ba-Ca-Mo-N +mp-1214858,Ba2CaMoN4,-7.3555852203,-1.1011877741,0.0,-0.015245447,GGA,Pbca,A2BCD4_oP64_61_2c_c_c_4c:Ba-Ca-Mo-N,64.0,A2BCD4_oP64_61_2c_c_c_4c:Ba-Ca-Mo-N +mp-1029689,Ca2MoN3,-7.6957140858,-1.0513249783,0.0,-0.1486597421,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Ca-Mo-N,24.0,A2BC3_mC48_15_2f_f_2e2f:Ca-Mo-N +mp-1247330,Ca3Mo3N5,-8.0423724414,-0.7481702055,0.1617422158,0.1617422158,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Mo-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Mo-N +mp-1228693,Ba3Ca3(MoN4)2,-7.3712048431,-1.1113933381,0.0,-0.034515861,GGA,P2_12_12_1,A3B3C2D8_oP64_19_3a_3a_2a_8a:Ba-Ca-Mo-N,64.0,A3B3C2D8_oP64_19_3a_3a_2a_8a:Ba-Ca-Mo-N +mp-1112897,Cs2YHgBr6,-3.673358914,-1.8854462938,0.0863981351,0.0863981351,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-Hg-Y +mp-8923,Sr2LiFe2N3,-6.5705920675,-0.6659124465,0.0,-0.0354613006,GGA,C2/c,A2BC3D2_mC32_15_f_e_ef_f:Fe-Li-N-Sr,16.0,A2BC3D2_mC32_15_f_e_ef_f:Fe-Li-N-Sr +mp-1229336,Al12Ge(Se2O35)2,-5.1278069823,-0.4172116546,1.0617889115,1.0617889115,GGA,C2,A12BC70D4_mC174_5_6c_a_4b33c_2c:Al-Ge-O-Se,87.0,A12BC70D4_mC174_5_6c_a_4b33c_2c:Al-Ge-O-Se +mp-1194546,Cs2Cu3SnF12,-4.724984985,-2.4452214173,0.0,-0.0158187283,GGA,P2_1/c,A2B3C12D_mP36_14_e_ae_6e_b:Cs-Cu-F-Sn,36.0,A2B3C12D_mP36_14_e_ae_6e_b:Cs-Cu-F-Sn +mp-1106088,Cs2Cu3SnF12,-4.7157048761,-2.4359413084,0.0092801089,-0.0065386194,GGA,R-3m,A2B3C12D_hR54_166_c_d_2h_a:Cs-Cu-F-Sn,18.0,A2B3C12D_hR54_166_c_d_2h_a:Cs-Cu-F-Sn +mp-990265,CuSnF6,-2.4881771025,-0.0409705612,2.3837673312,2.33232844,GGA,P-1,AB6C_aP8_2_b_3i_d:Cu-F-Sn,8.0,AB6C_aP8_2_b_3i_d:Cu-F-Sn +mp-4701,CuSnF6,-4.8719444337,-2.4247378925,0.0,-0.0514388913,GGA,P-1,AB6C_aP8_2_b_3i_d:Cu-F-Sn,8.0,AB6C_aP8_2_b_3i_d:Cu-F-Sn +mp-13906,CuSnF6,-4.8646867162,-2.417480175,0.0072577175,-0.0441811738,GGA,R-3,AB6C_hR24_148_a_f_b:Cu-F-Sn,8.0,AB6C_hR24_148_a_f_b:Cu-F-Sn +mp-1213671,CuSn3F6,-3.945231492,-1.185551888,1.1271407762,1.1271407762,GGA,P-1,AB6C3_aP10_2_a_3i_bde:Cu-F-Sn,10.0,AB6C3_aP10_2_a_3i_bde:Cu-F-Sn +mp-7297,Cs2SnF6,-4.9646712167,-3.0458656162,0.0,-0.2772090756,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Sn,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Sn +mp-1105915,CsSnF3,-4.9109760295000005,-2.7830938036,0.0,-0.041814749,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cs-F-Sn,20.0,AB3C_mP20_14_e_3e_e:Cs-F-Sn +mp-998457,CsSnF3,-4.897409129,-2.7695269031,0.0135669005,-0.0282478485,GGA,R3c,AB3C_hR30_161_a_b_a:Cs-F-Sn,10.0,AB3C_hR30_161_a_b_a:Cs-F-Sn +mp-541460,Ce4Si2Se3O7,-8.0934010536,-3.1123042979,0.0153002432,0.0153002432,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Ce-O-Se-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Ce-O-Se-Si +mp-542664,Ce2SiSeO4,-8.3821952628,-3.31042493,0.0132341822,0.0132341822,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Ce-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Ce-O-Se-Si +mp-31115,Er3GaO6,-8.2627297195,-3.6215912475,0.0068695207,0.0068695207,GGA,Cmc2_1,A3BC6_oC40_36_ab_a_2a2b:Er-Ga-O,20.0,A3BC6_oC40_36_ab_a_2a2b:Er-Ga-O +mp-12236,Er3Ga5O12,-7.3945607644,-2.9843657105,0.0,-0.0277607006,GGA,Ia-3d,A3B5C12_cI160_230_c_ad_h:Er-Ga-O,80.0,A3B5C12_cI160_230_c_ad_h:Er-Ga-O +mp-1213082,ErGaO3,-7.63556537,-3.1483891768,0.0506748863,0.0506748863,GGA,Pnma,ABC3_oP20_62_c_a_cd:Er-Ga-O,20.0,ABC3_oP20_62_c_a_cd:Er-Ga-O +mp-1213088,ErGaO3,-7.6727295247,-3.1855533314,0.0135107316,0.0135107316,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Er-Ga-O,30.0,ABC3_hP30_185_ab_c_ab2c:Er-Ga-O +mp-1184164,ErGaO3,-7.303556288,-2.8163800947,0.3826839683,0.3826839683,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Er-Ga-O,5.0,ABC3_cP5_221_a_b_c:Er-Ga-O +mp-555481,Ba6Er2Ga4O15,-6.9708128276,-3.0092571973,0.0,-0.0242766446,GGA,P2/c,A6B2C4D15_mP54_13_ef2g_g_2g_e7g:Ba-Er-Ga-O,54.0,"Invalid WP multiplicities - A6B2C4D15_mP54_13_e2f6g_g_5g_2e26g:Ba-Er-Ga-O, expected Ba15Er2(Ga5O27)2 to be Ba6Er2Ga4O15" +mp-1112027,K2TlHgCl6,-3.113848935,-1.5160147984,0.068106273,0.068106273,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Tl +mp-1208537,Tb2Cu2O5,-7.2747885264,-2.5858341824,0.0469926679,0.0469926679,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Tb,36.0,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Tb +mp-1187321,TbCuO3,-6.967511658,-2.2527838772,0.1563340445,0.1563340445,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Tb,5.0,AB3C_cP5_221_b_c_a:Cu-O-Tb +mp-1103380,SrTb2Sc2O7,-8.5753970667,-3.7212316632,0.1199695118,0.1199695118,GGA,I4/mmm,A7B2CD2_tI24_139_aeg_e_b_e:O-Sc-Sr-Tb,12.0,A7B2CD2_tI24_139_aeg_e_b_e:O-Sc-Sr-Tb +mp-31119,TbScO3,-9.119895555,-3.9585152872,0.0184044508,0.0184044508,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sc-Tb,20.0,A3BC_oP20_62_cd_a_c:O-Sc-Tb +mp-1330159,Zn3Ag2(GeO4)3,-5.5261119929,-1.392427446,0.2042432885,0.2042432885,GGA,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Ag-Ge-O-Zn,80.0,A2B3C12D3_cI160_230_a_d_h_c:Ag-Ge-O-Zn +mp-15144,ZnAg2GeO4,-5.2734222781,-1.3565924885,0.0173945973,0.0173945973,GGA,Pc,A2BC4D_mP16_7_2a_a_4a_a:Ag-Ge-O-Zn,16.0,"Invalid WP multiplicities - A2BC4D_mP16_7_2a_a_6a_a:Ag-Ge-O-Zn, expected ZnAg2GeO6 to be ZnAg2GeO4" +mp-1103709,Rb2Cd(IBr)2,-2.8579959964,-1.5813178157,0.0,-0.0140059961,GGA,Ama2,A2BC2D2_oC28_40_2b_b_c_ab:Br-Cd-I-Rb,14.0,A2BC2D2_oC28_40_2b_b_c_ab:Br-Cd-I-Rb +mp-28315,Rb4CdBr6,-3.1598539827,-1.8722907073,0.0,-0.0073891009,GGA,R-3c,A6BC4_hR66_167_f_b_ae:Br-Cd-Rb,22.0,A6BC4_hR66_167_f_b_ae:Br-Cd-Rb +mp-1025115,CdIBr,-2.3811263583,-1.0646982117,0.0189810883,0.0189810883,GGA,R3m,ABC_hR18_160_2a_2a_2a:Br-Cd-I,6.0,ABC_hR18_160_2a_2a_2a:Br-Cd-I +mp-27400,RbCdBr3,-2.930630724,-1.6181289595,0.0,-0.0058503202,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-Cd-Rb,20.0,A3BC_oP20_62_3c_c_c:Br-Cd-Rb +mp-1209531,Rb2CdI4,-2.6372799507,-1.3833623357,0.0,-0.0257463643,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Cd-I-Rb,14.0,AB4C2_mP14_11_e_2ef_2e:Cd-I-Rb +mp-1214926,Ag2SnHgS4,-3.7888676944,-0.4733472326,0.0,-0.0269899312,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Ag-Hg-S-Sn,16.0,A2BC4D_oP16_31_b_a_2ab_a:Ag-Hg-S-Sn +mp-1207637,Yb2Be2GeO7,-6.9304568392,-2.7797992455,0.0122505509,0.0122505509,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Yb,,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Yb +mp-1187905,YbBeO3,-6.473687466,-2.4498700102,0.2436664272,0.2436664272,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Yb,,AB3C_cP5_221_b_c_a:Be-O-Yb +mp-1215826,Zr2Sb2Pb4O13,-7.3268436219,-2.3501319426,0.0,-0.0255864444,GGA,Imm2,A13B4C2D2_oI42_44_2a3b2e_cd_c_d:O-Pb-Sb-Zr,21.0,A13B4C2D2_oI42_44_2a3b2e_cd_c_d:O-Pb-Sb-Zr +mp-1207400,Zr5Sb3O,-7.9006681378,-1.2259797399,0.0427841915,0.0427841915,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:O-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:O-Sb-Zr +mp-1206729,NbGa(PbO3)2,-7.226954709,-2.203471962,0.0707580335,0.0707580335,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Pb,10.0,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Pb +mp-1078542,GdZnAsO,-8.2215877587,-1.9861695172,0.0,-0.045643955,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Gd-O-Zn,8.0,ABCD_tP8_129_c_c_a_b:As-Gd-O-Zn +mp-557339,YbCu2(MoO4)3,-7.5959106167,-1.9495085897,0.0377648701,0.0377648701,GGA+U,P2_1/m,A2B3C12D_mP36_11_f_ef_2e5f_e:Cu-Mo-O-Yb,,"Invalid WP multiplicities - A2B3C12D_mP36_11_f_e2f_4e20f_e:Cu-Mo-O-Yb, expected YbCu2Mo5O44 to be YbCu2(MoO4)3" +mp-699540,YbCu(MoO4)2,-7.6649278306,-2.089625759,0.0922038586,0.0922038586,GGA+U,Pbca,AB2C8D_oP96_61_c_2c_8c_c:Cu-Mo-O-Yb,,"Invalid WP multiplicities - AB2C8D_oP96_61_c_9c_53c_c:Cu-Mo-O-Yb, expected YbCuMo9O53 to be YbCu(MoO4)2" +mp-1187483,TlCuO3,-4.919566706,-0.6591835159,0.3101288121,0.3101288121,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Tl,5.0,AB3C_cP5_221_b_c_a:Cu-O-Tl +mp-997042,TlCuO2,-5.03945505,-0.9506482402,0.0248460254,0.0248460254,GGA,P2_1/m,AB2C_mP8_11_e_f_e:Cu-O-Tl,8.0,AB2C_mP8_11_e_f_e:Cu-O-Tl +mp-996967,TlCuO2,-5.0180277525,-0.9292209427,0.0462733229,0.0462733229,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Tl,4.0,AB2C_hR12_166_a_c_b:Cu-O-Tl +mp-997029,TlCuO2,-5.0191282162,-0.9303214065,0.0451728592,0.0451728592,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cu-O-Tl,8.0,AB2C_hP8_194_c_f_a:Cu-O-Tl +mp-1147753,Tl2CuO4,-4.9516584343000005,-0.8643373188,0.1943089007,0.1943089007,GGA,I4/mmm,AB4C2_tI14_139_a_cd_e:Cu-O-Tl,7.0,AB4C2_tI14_139_a_cd_e:Cu-O-Tl +mp-1198006,TlCu2(AsO4)2,-5.8745262837,-1.3012337462,0.0545710546,0.0545710546,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:As-Cu-O-Tl,52.0,A2B2C8D_mP52_14_2e_2e_8e_e:As-Cu-O-Tl +mp-541202,TlCuAsO4,-5.806840375,-1.3914513655,0.0,-0.0350061952,GGA,C2/c,ABC4D_mC56_15_f_f_4f_f:As-Cu-O-Tl,28.0,ABC4D_mC56_15_f_f_4f_f:As-Cu-O-Tl +mp-558338,Tl2CuAsO4,-5.4777422325,-1.3189464558,0.0061010827,0.0061010827,GGA,P2_1/c,ABC4D2_mP32_14_e_e_4e_2e:As-Cu-O-Tl,32.0,"Invalid WP multiplicities - ABC4D2_mP32_14_e_e_16e_4e:As-Cu-O-Tl, expected Tl4CuAsO16 to be Tl2CuAsO4" +mp-559727,Tl2CuAsO4,-5.465473385,-1.3066776083,0.0183699302,0.0183699302,GGA,P2_1,ABC4D2_mP16_4_a_a_4a_2a:As-Cu-O-Tl,16.0,"Invalid WP multiplicities - ABC4D2_mP16_4_a_a_7a_4a:As-Cu-O-Tl, expected Tl4CuAsO7 to be Tl2CuAsO4" +mp-28235,Tl(CuO)2,-4.923443754,-0.8325569722,0.0,-0.0155849275,GGA,Imma,A2B2C_oI20_74_ac_h_e:Cu-O-Tl,10.0,A2B2C_oI20_74_ac_h_e:Cu-O-Tl +mp-1212752,EuLuCuS3,-7.135809415,-1.9213913166,0.0,-0.038885505,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cu-Eu-Lu-S,12.0,ABCD3_oC24_63_c_c_a_cf:Cu-Eu-Lu-S +mp-1046840,Nb2Zn2CuO8,-7.3811979119,-2.2739045535,0.0615296775,0.0615296775,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Cu-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Cu-Nb-O-Zn, expected Nb2Zn2CuO10 to be Nb2Zn2CuO8" +mp-1222433,Lu2Mn3Sb3O14,-7.8309945264,-2.459694863,0.0300298562,0.0300298562,GGA+U,C2/m,A2B3C14D3_mC44_12_ac_bf_3i2j_de:Lu-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_ac_be_5i6j_df:Lu-Mn-O-Sb, expected Lu2Mn3Sb3O34 to be Lu2Mn3Sb3O14" +mp-768483,Lu3Sb5O12,-7.3628711158,-2.684465001,0.0,-0.0423363069,GGA,I-43m,A3B12C5_cI80_217_d_2g_ce:Lu-O-Sb,40.0,"Invalid WP multiplicities - A3B12C5_cI80_217_d_5g_2c2e:Lu-O-Sb, expected Lu3(SbO3)10 to be Lu3Sb5O12" +mp-755867,Lu2Sb2O7,-7.5086116986,-2.7880003806,0.1443913386,0.1443913386,GGA,Ima2,A2B7C2_oI44_46_ab_b3c_ab:Lu-O-Sb,22.0,"Invalid WP multiplicities - A2B7C2_oI44_46_2a2b_2b9c_2a2b:Lu-O-Sb, expected LuSbO5 to be Lu2Sb2O7" +mp-772486,Lu2Sb2O7,-7.5620930891,-2.841481771,0.0909099482,0.0909099482,GGA,P3_121,A2B7C2_hP66_152_abc_7c_abc:Lu-O-Sb,66.0,"Invalid WP multiplicities - A2B7C2_hP66_152_3a3b3c_42c_2a3b2c:Lu-O-Sb, expected Lu4Sb3O28 to be Lu2Sb2O7" +mp-1210508,Lu3SbO7,-8.2269256341,-3.4706825633,0.0,-0.0181468644,GGA,C222_1,A3B7C_oC44_20_ac_3b2c_a:Lu-O-Sb,22.0,A3B7C_oC44_20_ac_3b2c_a:Lu-O-Sb +mp-1206042,Lu6MnSb2,-5.5271407044,-0.5776161609,0.0,-0.0434369727,GGA,P-62m,A6BC2_hP9_189_fg_a_d:Lu-Mn-Sb,9.0,A6BC2_hP9_189_fg_a_d:Lu-Mn-Sb +mp-1237257,LuSbO4,-7.6317317817,-2.8922806808,0.0,-0.1057464119,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Lu-O-Sb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_5e_e:Lu-O-Sb, expected LuSbO5 to be LuSbO4" +mp-772979,Li3Zn3(Ge3O8)2,-6.2378605827,-2.0810325134,0.0265123854,0.0265123854,GGA,P2_1,A6B3C16D3_mP56_4_6a_3a_16a_3a:Ge-Li-O-Zn,56.0,"Invalid WP multiplicities - A6B3C16D3_mP56_4_11a_4a_31a_5a:Ge-Li-O-Zn, expected Li4Zn5Ge11O31 to be Li3Zn3(Ge3O8)2" +mp-768947,Li10Zn3(GeO4)4,-5.8845500185,-2.232804858,0.0131480212,0.0131480212,GGA,P1,A4B10C16D3_aP33_1_4a_10a_16a_3a:Ge-Li-O-Zn,33.0,A4B10C16D3_aP33_1_4a_10a_16a_3a:Ge-Li-O-Zn +mp-760348,Li10Zn3(GeO4)4,-5.7987370388,-2.1469918783,0.0989610009,0.0989610009,GGA,P1,A4B10C16D3_aP33_1_4a_10a_16a_3a:Ge-Li-O-Zn,33.0,A4B10C16D3_aP33_1_4a_10a_16a_3a:Ge-Li-O-Zn +mp-772981,Li2Zn3(Ge3O8)2,-6.3400386276,-2.0999548101,0.0,-0.0029974818,GGA,P2_1,A6B2C16D3_mP54_4_6a_2a_16a_3a:Ge-Li-O-Zn,54.0,"Invalid WP multiplicities - A6B2C16D3_mP54_4_11a_3a_31a_5a:Ge-Li-O-Zn, expected Li3Zn5Ge11O31 to be Li2Zn3(Ge3O8)2" +mp-8184,Li2ZnGeO4,-5.9121869956,-2.2262654902,0.0,-0.0363138406,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Ge-Li-O-Zn,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_3a_6a_a:Ge-Li-O-Zn, expected Li3ZnGeO6 to be Li2ZnGeO4" +mp-759244,Li12Nb14ZnO42,-8.2864098513,-2.8755980478,0.0071204157,0.0071204157,GGA,P1,A12B14C42D_aP69_1_12a_14a_42a_a:Li-Nb-O-Zn,69.0,A12B14C42D_aP69_1_12a_14a_42a_a:Li-Nb-O-Zn +mp-767604,Li12Nb14ZnO42,-8.2866241603,-2.8758123568,0.0069061067,0.0069061067,GGA,P1,A12B14C42D_aP69_1_12a_14a_42a_a:Li-Nb-O-Zn,69.0,A12B14C42D_aP69_1_12a_14a_42a_a:Li-Nb-O-Zn +mp-768142,Li13Nb14ZnO42,-8.2200350804,-2.8592502617,0.0121072026,0.0121072026,GGA,P1,A13B14C42D_aP70_1_13a_14a_42a_a:Li-Nb-O-Zn,70.0,A13B14C42D_aP70_1_13a_14a_42a_a:Li-Nb-O-Zn +mp-756376,Li3Nb4ZnO12,-8.09838102,-2.7607811747,0.0382673806,0.0382673806,GGA,P1,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-Zn,20.0,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-Zn +mp-6146,LiNbZnO4,-7.3028476546,-2.5804581744,0.0030383482,0.0030383482,GGA,P4_122,ABC4D_tP28_91_a_b_2d_c:Li-Nb-O-Zn,28.0,ABC4D_tP28_91_a_b_2d_c:Li-Nb-O-Zn +mp-18037,LiNbZnO4,-7.3028447304,-2.5804552501,0.0030412725,0.0030412725,GGA,P4_322,ABC4D_tP28_95_a_b_2d_c:Li-Nb-O-Zn,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_b_5d_c:Li-Nb-O-Zn, expected LiNbZnO10 to be LiNbZnO4" +mp-756793,Li2Nb4ZnO12,-8.3305586932,-2.8125021648,0.0239990238,0.0239990238,GGA,P1,A2B4C12D_aP19_1_2a_4a_12a_a:Li-Nb-O-Zn,19.0,A2B4C12D_aP19_1_2a_4a_12a_a:Li-Nb-O-Zn +mp-759322,Li2Nb4ZnO12,-8.3289130421,-2.8108565138,0.0256446749,0.0256446749,GGA,P1,A2B4C12D_aP57_1_6a_12a_36a_3a:Li-Nb-O-Zn,57.0,A2B4C12D_aP57_1_6a_12a_36a_3a:Li-Nb-O-Zn +mp-851516,Li2Nb4ZnO12,-5.4569113347,0.0611451936,2.8976463822,2.8976463822,GGA,P1,A2B4C12D_aP57_1_6a_12a_36a_3a:Li-Nb-O-Zn,57.0,A2B4C12D_aP57_1_6a_12a_36a_3a:Li-Nb-O-Zn +mp-1046653,Ca4Cr5(TeO6)3,-7.4293659735,-2.2707675951,0.1893748292,0.1893748292,GGA+U,C2,A4B5C18D3_mC120_5_4c_ab4c_18c_3c:Ca-Cr-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_5_7c_ab8c_36c_4c:Ca-Cr-O-Te, expected Ca7Cr9(TeO9)4 to be Ca4Cr5(TeO6)3" +mp-1186029,Na2Zr2O5,-7.9629286933,-3.0213847597,0.16559661,0.16559661,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Na-O-Zr,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Na-O-Zr, expected Na2Zr2O9 to be Na2Zr2O5" +mp-561158,Na4Zr(MoO4)4,-7.764360483,-2.309663618,0.0039153436,0.0039153436,GGA+U,I4_1/a,A4B4C16D_tI100_88_f_f_4f_a:Mo-Na-O-Zr,50.0,"Invalid WP multiplicities - A4B4C16D_tI100_88_f_f_23f_a:Mo-Na-O-Zr, expected Na4Zr(MoO23)4 to be Na4Zr(MoO4)4" +mp-18492,Na2Zr(MoO4)3,-8.0585450261,-2.3313246882,0.029132164,0.029132164,GGA+U,C2/c,A3B2C12D_mC72_15_ef_f_6f_e:Mo-Na-O-Zr,36.0,"Invalid WP multiplicities - A3B2C12D_mC72_15_ef_f_9f_e:Mo-Na-O-Zr, expected Na2Zr(MoO6)3 to be Na2Zr(MoO4)3" +mp-1221299,Na2Zr(MoO5)2,-7.3299771787,-1.8399146087,0.4695144544,0.4695144544,GGA+U,C2/m,A2B2C10D_mC30_12_i_i_h2j_a:Mo-Na-O-Zr,,A2B2C10D_mC30_12_i_i_h2j_a:Mo-Na-O-Zr +mp-990440,Na2ZrO3,-7.2120419708,-2.8732390791,0.0,-0.2465262167,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:Na-O-Zr,24.0,A2B3C_mC48_15_aef_3f_2e:Na-O-Zr +mp-1220262,Nd6Cd(GeS7)2,-6.0117586622,-1.8079270012,0.0,-0.0163421239,GGA,P3,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cd-Ge-Nd-S,23.0,AB2C6D14_hP23_143_c_ab_2d_ab4d:Cd-Ge-Nd-S +mp-1079135,Nd2CdGe2,-4.668619834,-0.727571767,0.0,-0.0415295003,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Cd-Ge-Nd,10.0,AB2C2_tP10_127_a_g_h:Cd-Ge-Nd +mp-560523,La3Si2S8Br,-6.2217077568,-1.9143302825,0.0,-0.0305116617,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Br-La-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e3f_13f_f:Br-La-S-Si, expected La8Si2S26Br to be La3Si2S8Br" +mp-1211452,LaSBr,-6.0565859637,-2.5147575298,0.0,-0.0241186054,GGA,Pbca,ABC_oP24_61_c_c_c:Br-La-S,24.0,ABC_oP24_61_c_c_c:Br-La-S +mp-29560,La6Si7Br3,-5.6872260537,-1.1714539394,0.0,-0.0497619241,GGA,Pmmn,A3B6C7_oP32_59_ae_ab2e_b3e:Br-La-Si,32.0,"Invalid WP multiplicities - A3B6C7_oP32_59_a2e_ab2e_b3e:Br-La-Si, expected La6Si7Br5 to be La6Si7Br3" +mp-29995,La3SiBr3,-5.3265429529,-1.7704823336,0.0,-0.1153810177,GGA,I4_132,A3B3C_cI56_214_h_g_a:Br-La-Si,28.0,A3B3C_cI56_214_h_g_a:Br-La-Si +mp-1199895,Ho3(Si3Ru)4,-6.7012068992,-0.5986462082,0.0007693647,0.0007693647,GGA,Cmce,A3B4C12_oC76_64_ae_df_df2g:Ho-Ru-Si,38.0,A3B4C12_oC76_64_ae_df_df2g:Ho-Ru-Si +mp-22497,HoSiRu,-7.2465490467,-0.8191725667,0.0,-0.04148594,GGA,Pnma,ABC_oP12_62_c_c_c:Ho-Ru-Si,12.0,ABC_oP12_62_c_c_c:Ho-Ru-Si +mp-1206820,HoRu3C,-8.557251256,-0.2303948595,0.0,-0.023617205,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ho-Ru,5.0,ABC3_cP5_221_b_a_c:C-Ho-Ru +mp-1212223,Ho7Ru2C11,-7.8906043712,-0.2835549919,0.0100431378,0.0100431378,GGA,Cmcm,A11B7C2_oC80_63_3c4f_c3f_ac:C-Ho-Ru,40.0,A11B7C2_oC80_63_3c4f_c3f_ac:C-Ho-Ru +mp-570102,HoSiRu2C,-8.157156487,-0.6001169925000001,0.0,-0.0534807436,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ho-Ru-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Ho-Ru-Si +mp-5720,Ho(SiRu)2,-7.682302052,-0.88593205,0.0,-0.1489868815,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ho-Ru-Si,5.0,AB2C2_tI10_139_a_d_e:Ho-Ru-Si +mp-1199444,Rb2ZrSi3O10,-7.6668892839,-2.9011636603,0.0603645505,0.0603645505,GGA,P2_12_12_1,A10B2C3D_oP64_19_10a_2a_3a_a:O-Rb-Si-Zr,64.0,A10B2C3D_oP64_19_10a_2a_3a_a:O-Rb-Si-Zr +mp-554342,Hf3Cd3AgF20,-6.0478096563,-3.3180921851000003,0.0,-0.0380566645,GGA,P6_3/m,AB3C20D3_hP54_176_a_h_bc4hi_h:Ag-Cd-F-Hf,54.0,"Invalid WP multiplicities - AB3C20D3_hP54_176_a_h_2b2c20h8i_h:Ag-Cd-F-Hf, expected Hf3Cd3AgF112 to be Hf3Cd3AgF20" +mp-15685,Na2CuAs,-3.2183238225,-0.367479907,0.0,-0.0637472939,GGA,Cmcm,ABC2_oC16_63_c_a_g:As-Cu-Na,8.0,ABC2_oC16_63_c_a_g:As-Cu-Na +mp-1111289,Na2CuAsF6,-4.535747671,-2.2485227243,0.2077108361,0.2077108361,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Na,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-Na +mp-1226314,Cs2CoCu3F10,-4.7154999794,-2.1960292154,0.0619351336,0.0619351336,GGA+U,P-1,AB2C3D10_aP16_2_b_i_acd_5i:Co-Cs-Cu-F,16.0,"Invalid WP multiplicities - AB2C3D10_aP16_2_b_i_acd_7i:Co-Cs-Cu-F, expected Cs2CoCu3F14 to be Cs2CoCu3F10" +mp-1225979,CsCoCuF6,-4.9052512739,-2.2861623137,0.0,-0.0121245294,GGA+U,Imma,ABCD6_oI36_74_a_e_c_2ej:Co-Cs-Cu-F,18.0,"Invalid WP multiplicities - ABCD6_oI36_74_a_e_c_4e2j:Co-Cs-Cu-F, expected CsCoCuF12 to be CsCoCuF6" +mp-1111873,Cs2KSbCl6,-3.748927058,-1.9367845689,0.012231101,0.012231101,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Sb +mp-1112055,CsK2SbCl6,-3.629946858,-1.7963047114,0.1402158026,0.1402158026,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cs-K-Sb +mp-864654,Zn2NiRh,-4.2566149075,-0.340631965,0.0,-0.0209608999999999,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Rh-Zn,4.0,ABC2_cF16_225_a_b_c:Ni-Rh-Zn +mp-1103182,ZnNi3B2,-5.6122508433,-0.2857613114,0.0,-0.0240445855,GGA,C2/m,A2B3C_mC24_12_2i_3i_i:B-Ni-Zn,12.0,A2B3C_mC24_12_2i_3i_i:B-Ni-Zn +mp-1197569,Zn2Ni21B20,-6.2496891447,-0.2615451233,0.0,-0.0108067717,GGA,I4/mmm,A20B21C2_tI86_139_hmn_adefjn_e:B-Ni-Zn,43.0,A20B21C2_tI86_139_hmn_adefjn_e:B-Ni-Zn +mp-10131,Zn3(Ni10B3)2,-5.7806476231,-0.282085035,0.0,-0.0180873433,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Zn,29.0,"Invalid WP multiplicities - A6B20C3_cF116_225_e_3f3h_ac:B-Ni-Zn, expected Zn(Ni10B)2 to be Zn3(Ni10B3)2" +mp-1203945,Zn10Ni(B4Rh9)2,-5.9130996115,-0.3895793789,0.0154454945,0.0154454945,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Ni-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Ni-Rh-Zn +mp-1232233,Gd2MgS4,-8.7660757295,-2.1520294441,0.0283204323,0.0283204323,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Gd-Mg-S,56.0,A2BC4_oP56_29_4a_2a_8a:Gd-Mg-S +mp-1232388,Gd2MgS4,-8.7148140518,-2.1007677664,0.07958211,0.07958211,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Gd-Mg-S,28.0,A2BC4_oP28_62_2c_c_4c:Gd-Mg-S +mp-38771,Gd2MgS4,-8.719896635,-2.1058503496,0.0744995268,0.0744995268,GGA,I-42d,A2BC4_tI28_122_d_a_e:Gd-Mg-S,14.0,A2BC4_tI28_122_d_a_e:Gd-Mg-S +mp-1232170,Gd2MgS4,-8.767015110700001,-2.1529688254,0.0273810511,0.0273810511,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Gd-Mg-S,14.0,A2BC4_cF56_227_c_b_e:Gd-Mg-S +mp-1190789,Gd3MgAlS7,-8.43332156,-2.055873921,0.0034485807,0.0034485807,GGA,P6_3,AB3CD7_hP24_173_b_c_a_b2c:Al-Gd-Mg-S,24.0,AB3CD7_hP24_173_b_c_a_b2c:Al-Gd-Mg-S +mp-1208155,TlIn4S5Cl,-4.1656461382,-0.9019948599,0.0,-0.0116638251,GGA,P2_1/m,AB4C5D_mP22_11_e_4e_5e_e:Cl-In-S-Tl,22.0,AB4C5D_mP22_11_e_4e_5e_e:Cl-In-S-Tl +mp-1196549,La6Fe13Pb,-7.2330283842,-0.0610801127,0.014089439,0.014089439,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-La-Pb,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-La-Pb +mp-1188583,La5FePb3,-5.3252561772,-0.4043675167,0.0864421656,0.0864421656,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Fe-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Fe-La-Pb +mp-1223018,LaFe2PbO6,-7.6460013175,-2.1191184312,0.0855759146,0.0855759146,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Fe-La-O-Pb,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_3a6b_a:Fe-La-O-Pb, expected LaFe2PbO15 to be LaFe2PbO6" +mp-1220909,NaTa4Bi5O18,-8.1981003504,-2.5910832694,0.0075608996,0.0075608996,GGA,Cm,A5BC18D4_mC56_8_a2b_a_2a8b_2b:Bi-Na-O-Ta,28.0,A5BC18D4_mC56_8_a2b_a_2a8b_2b:Bi-Na-O-Ta +mp-1233368,CaMn9CdO10,-8.259930849,-1.8383349261,0.1736033433,0.1736033433,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O +mp-1233386,CaMn9CdO10,-8.2062455671,-1.7846496442,0.2272886252,0.2272886252,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O +mp-1233580,CaMn9CdO10,-8.2026165938,-1.7810206709,0.2309175986,0.2309175986,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O +mp-1233831,CaMn9CdO10,-8.1946037586,-1.7730078357,0.2389304338,0.2389304338,GGA+U,P1,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O,21.0,ABC9D10_aP21_1_a_a_9a_10a:Ca-Cd-Mn-O +mp-1233205,CaMn9CdO10,-8.1311220233,-1.7095261004,0.302412169,0.302412169,GGA+U,Cm,ABC9D10_mC42_8_a_a_a4b_2a4b:Ca-Cd-Mn-O,21.0,"Invalid WP multiplicities - ABC9D10_mC42_8_a_a_a8b_2a7b:Ca-Cd-Mn-O, expected CaMn17CdO16 to be CaMn9CdO10" +mp-1221416,Na(Nb3Se4)2,-7.105184628,-1.1120081377,0.0128138395,0.0128138395,GGA,P-3,AB6C8_hP15_147_a_g_dg:Na-Nb-Se,15.0,AB6C8_hP15_147_a_g_dg:Na-Nb-Se +mp-1221396,Na(NbSe2)2,-6.2711120686,-1.198429028,0.0047276139,0.0047276139,GGA,P3m1,AB2C4_hP7_156_a_ab_4c:Na-Nb-Se,7.0,AB2C4_hP7_156_a_ab_4c:Na-Nb-Se +mp-1192640,Na2Nb4Se4O19,-7.4546912679,-2.2470705034,0.0,-0.0069799456,GGA,P-1,A2B4C19D4_aP29_2_i_2i_a9i_2i:Na-Nb-O-Se,29.0,A2B4C19D4_aP29_2_i_2i_a9i_2i:Na-Nb-O-Se +mp-1221482,Na2(NbSe2)3,-6.1092908923,-1.2070695675,0.0089467998,0.0089467998,GGA,P3m1,A2B3C6_hP22_156_4a_3a3b_12c:Na-Nb-Se,22.0,A2B3C6_hP22_156_4a_3a3b_12c:Na-Nb-Se +mp-1190450,NaNbSe2O7,-6.8035462227,-1.9815031075,0.0,-0.0184707118,GGA,Cmc2_1,ABC7D2_oC44_36_a_a_a3b_b:Na-Nb-O-Se,22.0,ABC7D2_oC44_36_a_a_a3b_b:Na-Nb-O-Se +mp-7939,NaNbSe2,-5.8424342087,-1.2385208866,0.0,-0.0496831579,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Na-Nb-Se,8.0,ABC2_hP8_194_a_b_f:Na-Nb-Se +mp-1208805,Sr4FeRh2O9,-6.9695891638,-2.314788591,0.0,-0.0211829844,GGA+U,P321,AB9C2D4_hP48_150_ad_f4g_c2d_efg:Fe-O-Rh-Sr,48.0,AB9C2D4_hP48_150_ad_f4g_c2d_efg:Fe-O-Rh-Sr +mp-754555,HoTlO2,-6.939084175,-2.7294768152,0.0996935317,0.0996935317,GGA,R-3m,AB2C_hR12_166_a_c_b:Ho-O-Tl,4.0,AB2C_hR12_166_a_c_b:Ho-O-Tl +mp-1212243,HoTl(MoO4)2,-8.0650349869,-2.3808798263,0.0,-0.0123668829,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Ho-Mo-O-Tl,48.0,AB2C8D_oP48_60_c_d_4d_c:Ho-Mo-O-Tl +mp-1195151,Ce2Zn(SeO)2,-6.9054971349,-2.6181939495,0.0515630066,0.0515630066,GGA,Ibam,A2B2C2D_oI140_72_j2k_f2k_j2k_ahi:Ce-O-Se-Zn,70.0,A2B2C2D_oI140_72_j2k_f2k_j2k_ahi:Ce-O-Se-Zn +mp-1216995,Tm6Mn(GeS7)2,-6.2558600443,-1.7700608409,0.0270805064,0.0270805064,GGA,P3,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mn-S-Tm,23.0,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mn-S-Tm +mp-1216628,Tm4MnS7,-6.7448416333,-2.0764661289,0.0389387581,0.0389387581,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Mn-S-Tm,12.0,AB7C4_mC24_8_a_7a_4a:Mn-S-Tm +mp-33889,Tm2MnS4,-6.7793778307,-1.8280227441,0.0997958866,0.0997958866,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mn-S-Tm,14.0,AB4C2_tI28_122_a_e_d:Mn-S-Tm +mp-1113711,Rb2LiMnF6,-5.40030717,-2.9502191591,0.061861961,0.061861961,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Mn-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Mn-Rb +mp-1209597,Rb2LiMn3F12,-5.9596107572,-2.9432893962,0.0003490371,0.0003490371,GGA+U,P-1,A12BC3D2_aP36_2_12i_i_acfhi_2i:F-Li-Mn-Rb,36.0,A12BC3D2_aP36_2_12i_i_acfhi_2i:F-Li-Mn-Rb +mp-640899,Ce2Zn2Cu5,-4.0371335194,-0.1613891994,0.038953034,0.038953034,GGA,R-3m,A2B5C2_hR54_166_2c_2ch_ad:Ce-Cu-Zn,18.0,"Invalid WP multiplicities - A2B5C2_hR54_166_3c_4c2h_a2d:Ce-Cu-Zn, expected Ce6Zn7Cu20 to be Ce2Zn2Cu5" +mp-1226509,CeZnCuP2,-5.15941694,-0.7356880503000001,0.0,-0.0218557903,GGA,P3m1,ABC2D_hP5_156_c_a_ab_b:Ce-Cu-P-Zn,5.0,ABC2D_hP5_156_c_a_ab_b:Ce-Cu-P-Zn +mp-7247,CeZn3Cu2,-3.2449262967,-0.2598040758,0.0,-0.0395208351,GGA,P6/mmm,AB2C3_hP6_191_a_c_g:Ce-Cu-Zn,6.0,AB2C3_hP6_191_a_c_g:Ce-Cu-Zn +mp-1226833,Ce2Zn3Cu7,-3.87705573,-0.1820677442,0.0076082269,0.0076082269,GGA,P2/m,A2B7C3_mP12_10_n_acd2n_gm:Ce-Cu-Zn,12.0,"Invalid WP multiplicities - A2B7C3_mP12_10_n_acd4n_gm:Ce-Cu-Zn, expected Ce2Zn3Cu11 to be Ce2Zn3Cu7" +mp-640341,Mo3S7Cl4,-6.058655893,-1.1382097475,0.0,-0.0523559578,GGA,P2_1/c,A4B3C7_mP56_14_4e_3e_7e:Cl-Mo-S,56.0,"Invalid WP multiplicities - A4B3C7_mP56_14_13e_9e_28e:Cl-Mo-S, expected Mo9S28Cl13 to be Mo3S7Cl4" +mp-27866,MoS2Cl3,-5.2599652492,-1.1492719452,0.0,-0.0462012786,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:Cl-Mo-S,24.0,A3BC2_mP24_14_3e_e_2e:Cl-Mo-S +mp-560907,MoSeS2Cl5,-4.5742293197,-1.034546584,0.0,-0.0338645802,GGA,C2/c,A5BC2D_mC72_15_5f_f_2f_f:Cl-Mo-S-Se,36.0,"Invalid WP multiplicities - A5BC2D_mC72_15_16f_f_4f_f:Cl-Mo-S-Se, expected MoSe(SCl4)4 to be MoSeS2Cl5" +mp-568726,Mo(SeCl6)2,-3.661705749,-0.99371155,0.0162671739,0.0162671739,GGA,Fdd2,A12BC2_oF120_43_6b_a_b:Cl-Mo-Se,30.0,"Invalid WP multiplicities - A12BC2_oF120_43_23b_a_b:Cl-Mo-Se, expected Mo(SeCl23)2 to be Mo(SeCl6)2" +mp-1210546,MoSCl,-6.8616799858,-1.2514677735,0.0214155375,0.0214155375,GGA,F-43m,ABC_cF48_216_e_e_e:Cl-Mo-S,12.0,ABC_cF48_216_e_e_e:Cl-Mo-S +mp-653429,Mn7FeCl3O10,-7.9808876612,-1.9039055018,0.0,-0.0093952811,GGA+U,Fm-3m,A3BC7D10_cF168_225_e_c_abh_fg:Cl-Fe-Mn-O,42.0,"Invalid WP multiplicities - A3BC7D10_cF168_225_e_c_ab2h_5f6g:Cl-Fe-Mn-O, expected Mn13FeCl3O56 to be Mn7FeCl3O10" +mp-1079439,Fe(ClO2)3,-4.221732758,0.1478435877,0.8421159821,0.8421159821,GGA+U,C2/m,A3BC6_mC20_12_ai_d_ij:Cl-Fe-O,10.0,A3BC6_mC20_12_ai_c_ij:Cl-Fe-O +mp-540828,FeClO,-6.5817956933,-1.4933801662,0.0,-0.026933973,GGA+U,Pmmn,ABC_oP6_59_a_b_a:Cl-Fe-O,12.0,ABC_oP6_59_a_b_a:Cl-Fe-O +mp-25773,Mn8Cl3O10,-8.0437072643,-1.9337730058,0.0,-0.0453047399,GGA+U,I4/mmm,A3B8C10_tI84_139_eh_abdim_gkn:Cl-Mn-O,42.0,"Invalid WP multiplicities - A3B8C10_tI84_139_2eh_abdim_gkn:Cl-Mn-O, expected Mn4Cl2O5 to be Mn8Cl3O10" +mp-23512,Mn8Cl3O10,-8.0358935745,-1.925959316,0.0078136898,-0.0374910501,GGA+U,Fm-3m,A3B8C10_cF168_225_e_abch_fg:Cl-Mn-O,42.0,A3B8C10_cF168_225_e_abch_fg:Cl-Mn-O +mp-1190593,Mn2ClO3,-7.5405060688,-1.7050671724000002,0.0311992235,0.0311992235,GGA+U,Pnma,AB2C3_oP24_62_c_ac_cd:Cl-Mn-O,24.0,AB2C3_oP24_62_c_ac_cd:Cl-Mn-O +mp-1103030,Fe2ClO3,-6.7271619933,-1.122387791,0.3642636528,0.3642636528,GGA+U,R-3m,AB2C3_hR36_166_c_ad_h:Cl-Fe-O,12.0,AB2C3_hR36_166_c_ad_h:Cl-Fe-O +mp-1225401,Fe6ClO12,-7.0625786934,-1.1663193011,0.2536021697,0.2536021697,GGA+U,I4/m,AB6C12_tI76_87_e_hi_2h2i:Cl-Fe-O,38.0,"Invalid WP multiplicities - AB6C12_tI76_87_e_4h4i_8h10i:Cl-Fe-O, expected Fe24ClO56 to be Fe6ClO12" +mp-546798,MnClO3,-6.011179252,-0.8410556348,0.3562746016,0.3562746016,GGA+U,Cmc2_1,ABC3_oC20_36_a_a_ab:Cl-Mn-O,10.0,"Invalid WP multiplicities - ABC3_oC20_36_a_a_2a2b:Cl-Mn-O, expected MnClO6 to be MnClO3" +mp-1213228,Fe(ClO2)2,-5.0514920621,-0.4866564371,0.3535669289,0.3535669289,GGA+U,P2_1/c,A2BC4_mP14_14_e_a_2e:Cl-Fe-O,14.0,A2BC4_mP14_14_e_a_2e:Cl-Fe-O +mp-1225276,Fe(ClO7)2,-4.7222418747,0.0672132128,0.4790855407,0.4790855407,GGA+U,P3m1,A2BC14_hP17_156_ab_c_ab4d:Cl-Fe-O,17.0,A2BC14_hP17_156_ab_c_ab4d:Cl-Fe-O +mp-1201978,Fe2Cl6O5,-3.994113231,0.0647103026,0.9334624492,0.9334624492,GGA+U,Pca2_1,A6B2C5_oP52_29_6a_2a_5a:Cl-Fe-O,52.0,A6B2C5_oP52_29_6a_2a_5a:Cl-Fe-O +mp-1238907,Fe2Cl6O5,-3.901659069,0.1571644645,1.0259166112,1.0259166112,GGA+U,Pca2_1,A6B2C5_oP52_29_6a_2a_5a:Cl-Fe-O,52.0,A6B2C5_oP52_29_6a_2a_5a:Cl-Fe-O +mp-1069083,Mn(ClO)2,-5.193877916,-0.6433847091,0.4594460904,0.4594460904,GGA+U,C2/m,A2BC2_mC10_12_i_a_g:Cl-Mn-O,5.0,A2BC2_mC10_12_i_a_g:Cl-Mn-O +mp-1520000,Eu2TiSbO6,-9.091008616,-2.8691457036,0.1771150037,0.1771150037,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Ti +mp-1110901,K2LiNdBr6,-3.939086716,-2.1174828987,0.062297647,0.062297647,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Nd +mp-1111986,K2LuAgCl6,-4.214566149,-2.1480137113,0.0,-0.0255364997,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Lu,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Cl-K-Lu +mp-1197471,LiAs(XeF4)3,-3.4353149112,-1.693296594,0.0,-0.0097910624,GGA,P2_1,AB12CD3_mP34_4_a_12a_a_3a:As-F-Li-Xe,34.0,AB12CD3_mP34_4_a_12a_a_3a:As-F-Li-Xe +mp-1110706,Rb2LiYBr6,-4.132305466,-2.1668422555,0.0,-0.011466712,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Li-Rb-Y +mp-1110663,Rb2NaPrF6,-5.452747056,-3.4994097562,0.03359682,0.03359682,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Pr-Rb +mp-1111996,K2CeAuCl6,-4.217782872,-1.9658839711,0.1629437522,0.1629437522,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Ce-Cl-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Ce-Cl-K +mp-571219,Tl3BiI6,-2.8320032285,-0.8551415615,0.009090942,0.009090942,GGA,P2_1/c,AB6C3_mP40_14_e_6e_3e:Bi-I-Tl,40.0,"Invalid WP multiplicities - AB6C3_mP40_14_e_21e_11e:Bi-I-Tl, expected Tl11BiI21 to be Tl3BiI6" +mp-1112501,Cs2TlBiI6,-2.893056524,-1.2096430119,0.023518774,0.023518774,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Tl,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-Tl +mp-684055,Tl7Bi3I16,-2.8353087215,-0.8493921440000001,0.0099711706,0.0099711706,GGA,Cmcm,A3B16C7_oC312_63_aefh_2c3f2g9h_c2f2g3h:Bi-I-Tl,156.0,"Invalid WP multiplicities - A3B16C7_oC312_63_2a3e2f7h_4c12f8g63h_2c7f8g17h:Bi-I-Tl, expected Tl25(Bi5I37)2 to be Tl7Bi3I16" +mp-569203,Tl3Bi2I9,-2.8442510096,-0.8421649489,0.0085033854,0.0085033854,GGA,P2_1/c,A2B9C3_mP56_14_2e_9e_3e:Bi-I-Tl,56.0,"Invalid WP multiplicities - A2B9C3_mP56_14_5e_33e_9e:Bi-I-Tl, expected Tl9Bi5I33 to be Tl3Bi2I9" +mp-1112166,Cs2RbRuF6,-4.961297316,-2.6098357998,0.0,-0.0496957545,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Ru,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Ru +mp-989532,Rb2TlInF6,-4.615987559,-2.7615606763,0.0,-0.0113163882,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Tl +mp-1111877,Cs2KBiCl6,-3.781328689,-1.9980374109,0.0111622919,0.0111622919,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-K,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-Cl-Cs-K +mp-571371,CsK2BiCl6,-3.8031925508,-1.9984016151,0.0,-0.0293134456,GGA,C2/c,AB6CD2_mC80_15_ce_6f_f_2f:Bi-Cl-Cs-K,40.0,"Invalid WP multiplicities - AB6CD2_mC80_15_2ae_21f_f_6f:Bi-Cl-Cs-K, expected Cs2K12(BiCl14)3 to be CsK2BiCl6" +mp-1047922,BaZnCoF7,-5.2457703687,-2.879031457,0.0208457475,0.0208457475,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Co-F-Zn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Co-F-Zn, expected BaZnCoF23 to be BaZnCoF7" +mp-1209212,RbHfCdF7,-6.025519344,-3.5014227805,0.0,-0.0299489585,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_c_a:Cd-F-Hf-Rb,20.0,AB7CD_oC40_63_c_cf2g_c_a:Cd-F-Hf-Rb +mp-542021,Sc2CrB2Rh5,-7.928759968,-0.6789291108000001,0.0450027246,0.0450027246,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Cr-Rh-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Cr-Rh-Sc +mp-510306,Sc2CrB6,-7.6778817042,-0.7451776703,0.0,-0.0502854058,GGA,Pbam,A6BC2_oP36_55_6h_g_2g:B-Cr-Sc,36.0,A6BC2_oP36_55_6h_g_2g:B-Cr-Sc +mp-1207661,Zn10Co(B4Rh9)2,-5.9456889077,-0.3862718882,0.0165415299,0.0165415299,GGA,P4/mbm,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Co-Rh-Zn,74.0,A8BC18D10_tP74_127_2i_a_h4j_3gi:B-Co-Rh-Zn +mp-29564,Ba2Mg3Si4,-3.69022519,-0.3191071733,0.0,-0.0108757413,GGA,C2/m,A2B3C4_mC36_12_2i_3i_4i:Ba-Mg-Si,18.0,"Invalid WP multiplicities - A2B3C4_mC36_12_2i_3i_6i:Ba-Mg-Si, expected Ba2(MgSi2)3 to be Ba2Mg3Si4" +mp-1079433,BaMg4Si3,-3.3269704925,-0.2524643388,0.0,-0.010878086,GGA,P4/mmm,AB4C3_tP8_123_a_i_bh:Ba-Mg-Si,8.0,AB4C3_tP8_123_a_i_bh:Ba-Mg-Si +mp-567771,Ba(Si3N4)2,-8.058650534,-1.3144610327,0.0,-0.0126307204,GGA,Imm2,AB8C6_oI30_44_a_cde_ce:Ba-N-Si,15.0,"Invalid WP multiplicities - AB8C6_oI30_44_a_2c2d2e_ce:Ba-N-Si, expected Ba(Si3N8)2 to be Ba(Si3N4)2" +mp-29060,Ba5(SiN3)2,-6.429509235,-1.0091645958,0.0148169653,0.0148169653,GGA,P2_12_12_1,A5B6C2_oP52_19_5a_6a_2a:Ba-N-Si,52.0,A5B6C2_oP52_19_5a_6a_2a:Ba-N-Si +mp-1246414,BaMg2N2,-4.940403664,-0.581898686,0.2054317057,0.2054317057,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-Mg-N,10.0,AB2C2_tI20_140_a_h_h:Ba-Mg-N +mp-1247195,BaMg2N2,-5.055591522,-0.697086544,0.0902438477,0.0902438477,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Mg-N,5.0,AB2C2_hP5_164_a_d_d:Ba-Mg-N +mp-5080,Ba5Mg18Si13,-3.2835089967,-0.2577020525,0.0,-0.0024537054,GGA,P-62m,A5B18C13_hP36_189_cg_fgjk_a2fk:Ba-Mg-Si,36.0,"Invalid WP multiplicities - A5B18C13_hP36_189_cg_fg2jk_a2f2k:Ba-Mg-Si, expected Ba5Mg24Si19 to be Ba5Mg18Si13" +mp-1247488,Ba2MgN2,-4.909535988,-0.487292032,0.1918479107,0.1918479107,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ba-Mg-N,5.0,A2BC2_tI10_139_e_a_e:Ba-Mg-N +mp-1245389,Ba7SiN6,-5.628385872,-0.7085921463,0.0726936644,0.0726936644,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ba-N-Si,56.0,A7B6C_oP56_60_c3d_3d_c:Ba-N-Si +mp-9711,Ba2Si5N8,-7.8515082007,-1.3410749053,0.0,-0.0124026503,GGA,Pmn2_1,A2B8C5_oP30_31_2a_4a2b_3ab:Ba-N-Si,30.0,A2B8C5_oP30_31_2a_4a2b_3ab:Ba-N-Si +mp-1214734,Ba2MgSi2,-2.3677886580000003,0.88998454,1.262116796,1.262116796,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ba-Mg-Si,5.0,A2BC2_tP5_123_g_a_g:Ba-Mg-Si +mp-7875,Ba(MgSi)2,-3.501333288,-0.307299068,0.0,-0.0082800173,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Mg-Si,5.0,AB2C2_tI10_139_a_d_e:Ba-Mg-Si +mp-1019517,Ba4Mg(SiN3)2,-6.4801350823,-1.0843054346,0.0,-0.0187121624,GGA,Fddd,A4BC6D2_oF104_70_2e_a_fh_g:Ba-Mg-N-Si,26.0,A4BC6D2_oF104_70_2e_a_fh_g:Ba-Mg-N-Si +mp-1017442,BaMg6Si,-2.0658994756,0.0523471831,0.2006879133,0.2006879133,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Si, expected BaMg12Si to be BaMg6Si" +mp-1099335,BaMg6Si,-2.012601225,0.1056454338,0.2539861639,0.2539861639,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Si,8.0,AB6C_oC16_38_a_abde_b:Ba-Mg-Si +mp-1103039,BaMgSi,-3.2947264742,-0.3132021342,0.0496984475,-0.0358045443,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Mg-Si,12.0,ABC_oP12_62_c_c_c:Ba-Mg-Si +mp-9934,BaMgSi,-3.3444249217,-0.3629005817,0.0,-0.0855029918,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ba-Mg-Si,6.0,ABC_tP6_129_c_a_c:Ba-Mg-Si +mp-3777,BaSiN2,-7.3114473081,-1.3071266031,0.0,-0.1201529129,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ba-N-Si,16.0,AB2C_oC32_64_f_ef_f:Ba-N-Si +mp-29703,BaSi7N10,-8.1908777119,-1.3430360231,0.0,-0.0261590062,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Ba-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Ba-N-Si +mp-1246210,Ba4SiN4,-5.7164757117,-0.5556759906000001,0.3424633295,0.3424633295,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ba-N-Si,36.0,A4B4C_oP36_62_4c_4c_c:Ba-N-Si +mp-1245390,Ba11(SiN5)2,-5.5363783793,-0.5222779598,0.3047331372,0.3047331372,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ba-N-Si,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ba-N-Si +mp-1026716,BaMg14Si,-1.7999027575,0.0593605969,0.1433333716,0.1433333716,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Si, expected BaMg18Si to be BaMg14Si" +mp-1026706,BaMg14Si,-1.7492530956,0.1100102588,0.1939830335,0.1939830335,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Si, expected BaMg26Si to be BaMg14Si" +mp-504852,Cs2Na3InO4,-4.4531445557,-1.6234626358000002,0.0,-0.0141914045,GGA,P2_1/c,A2BC3D4_mP40_14_2e_e_3e_4e:Cs-In-Na-O,40.0,A2BC3D4_mP40_14_2e_e_3e_4e:Cs-In-Na-O +mp-1216256,Yb6Mn25(Cl3O10)4,-7.638768039,-2.1166232155,0.0505889411,0.0505889411,GGA+U,P4/mmm,A12B25C40D6_tP83_123_ghjk_amn2r_2istu_bci:Cl-Mn-O-Yb,,"Invalid WP multiplicities - A12B25C40D6_tP83_123_2g2h4j4k_a4m4n16r_8i6s6t4u_bci:Cl-Mn-O-Yb, expected Yb6Mn161(Cl5O24)8 to be Yb6Mn25(Cl3O10)4" +mp-505633,Cs2Zn3S4,-3.6458457878,-1.1885307832,0.0,-0.1042084625,GGA,Ibam,A2B4C3_oI36_72_j_k_af:Cs-S-Zn,18.0,A2B4C3_oI36_72_j_k_af:Cs-S-Zn +mp-1199216,Cs2ZnBi2S5,-4.1859626343,-1.0445850394,0.0,-0.0318794558,GGA,Pnma,A2B2C5D_oP40_62_2c_2c_5c_c:Bi-Cs-S-Zn,40.0,A2B2C5D_oP40_62_2c_2c_5c_c:Bi-Cs-S-Zn +mp-1227164,CaPr2BeO5,-7.9339000292,-3.4849813835,0.014973629,0.014973629,GGA,Pna2_1,ABC5D2_oP36_33_a_a_5a_2a:Be-Ca-O-Pr,36.0,"Invalid WP multiplicities - ABC5D2_oP36_33_a_a_10a_2a:Be-Ca-O-Pr, expected CaPr2BeO10 to be CaPr2BeO5" +mp-1214104,Ca2PrBeO5,-7.2968269819,-3.1562756557,0.041248023,0.041248023,GGA,Pnma,AB2C5D_oP36_62_c_d_3cd_c:Be-Ca-O-Pr,36.0,AB2C5D_oP36_62_c_d_3cd_c:Be-Ca-O-Pr +mp-13735,Rb2TbO3,-5.8673970133,-2.2948136169,0.0599375116,0.0599375116,GGA,Cmc2_1,A3B2C_oC24_36_ab_b_a:O-Rb-Tb,12.0,A3B2C_oC24_36_ab_b_a:O-Rb-Tb +mp-1209099,RbTb(MoO4)2,-8.0988987833,-2.5255896098,0.0,-0.000888858,GGA+U,C2/c,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Tb,24.0,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Tb +mp-980058,RbTbO3,-6.363580492,-2.2725872307,0.2582429879,0.2582429879,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Tb,5.0,A3BC_cP5_221_c_a_b:O-Rb-Tb +mp-1226842,CdGa4As4S,-4.029825988,-0.4490062543,0.0097758255,0.0097758255,GGA,R3m,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-Ga-S,10.0,A4BC4D_hR30_160_4a_a_4a_a:As-Cd-Ga-S +mp-16456,BaNd2MnS5,-6.6246620161,-2.0358248571,0.0,-0.0093601772,GGA,I4/mcm,ABC2D5_tI36_140_a_b_h_cl:Ba-Mn-Nd-S,18.0,ABC2D5_tI36_140_a_b_h_cl:Ba-Mn-Nd-S +mp-1104755,Cu4NiGe2S7,-4.8803469271,-0.5676206316,0.0115801744,0.0115801744,GGA,C2,A4B2CD7_mC28_5_2c_c_a_b3c:Cu-Ge-Ni-S,14.0,A4B2CD7_mC28_5_2c_c_a_b3c:Cu-Ge-Ni-S +mp-37070,Pr2SmS4,-6.7004964886,-2.2967540439,0.0377939262,0.0377939262,GGA,I-42d,A2B4C_tI28_122_d_e_a:Pr-S-Sm,14.0,A2B4C_tI28_122_d_e_a:Pr-S-Sm +mp-1219738,PrSm3S4,-6.7111795375,-2.2758715841,0.0,-0.003341125,GGA,R-3m,AB4C3_hR24_166_a_2c_bc:Pr-S-Sm,8.0,"Invalid WP multiplicities - AB4C3_hR24_166_a_4c_b2c:Pr-S-Sm, expected PrSm5S8 to be PrSm3S4" +mp-1219704,PrSmSeS,-6.41410834,-2.1311450314,0.042204425,0.042204425,GGA,P4/mmm,ABCD_tP4_123_a_b_c_d:Pr-S-Se-Sm,4.0,ABCD_tP4_123_a_b_c_d:Pr-S-Se-Sm +mp-1190579,Cs2Cu2Sb2S5,-4.3446936668,-0.8056509488,0.0140095832,0.0140095832,GGA,P-1,A2B2C5D2_aP22_2_2i_2i_5i_2i:Cs-Cu-S-Sb,22.0,A2B2C5D2_aP22_2_2i_2i_5i_2i:Cs-Cu-S-Sb +mp-1191476,Li2In2GeS6,-4.5529416068,-1.0290379478,0.0138102059,0.0138102059,GGA,Cc,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Li-S,22.0,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Li-S +mp-1214703,Ba3Co8Sn3O20,-6.8575593118,-1.7520899891,0.1135387649,0.1135387649,GGA+U,C2/m,A3B8C20D3_mC68_12_ai_2j_2i4j_bh:Ba-Co-O-Sn,34.0,A3B8C20D3_mC68_12_ai_2j_2i4j_bh:Ba-Co-O-Sn +mp-1228162,BaCo2Sn4O11,-6.8382129031000005,-2.0277976934,0.0339991772,0.0339991772,GGA+U,C2/c,AB2C11D4_mC72_15_e_ce_e5f_adf:Ba-Co-O-Sn,36.0,"Invalid WP multiplicities - AB2C11D4_mC72_15_e_ae_2e15f_2b2cf:Ba-Co-O-Sn, expected BaCo2(Sn3O16)2 to be BaCo2Sn4O11" +mp-1195776,Ba(CoSn4)2,-4.612454435,-0.2295284923,0.0,-0.0282843698,GGA,Cccm,AB2C8_oC88_66_l_m_abgkl2m:Ba-Co-Sn,44.0,AB2C8_oC88_66_l_m_abgkl2m:Ba-Co-Sn +mp-1016571,Mg6NbMo,-3.6023813888,0.2161980425,0.2464465018,0.2464465018,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Nb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Nb, expected Mg12NbMo to be Mg6NbMo" +mp-1016622,Mg6NbMo,-3.5250224506,0.2935569806,0.3238054399,0.3238054399,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Nb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Nb, expected Mg12NbMo to be Mg6NbMo" +mp-1046822,Mg2Nb2MoO8,-8.4414387062,-2.7627979385,0.094986781,0.094986781,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Mg-Mo-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Mg-Mo-Nb-O, expected Mg2Nb2MoO10 to be Mg2Nb2MoO8" +mp-1026529,Mg14NbMo,-2.5670786138,0.1423511269,0.1652577369,0.1652577369,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Nb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Nb, expected Mg18NbMo to be Mg14NbMo" +mp-1026510,Mg14NbMo,-2.5174636181,0.1919661225,0.2148727325,0.2148727325,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Nb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Nb, expected Mg26NbMo to be Mg14NbMo" +mp-1222829,LaSeS,-6.3459636183,-2.1565074685,0.0,-0.020329999,GGA,P2_1/c,ABC_mP12_14_e_e_e:La-S-Se,12.0,ABC_mP12_14_e_e_e:La-S-Se +mp-1223069,La4Se7S,-6.1189092775,-2.089587725,0.0042322633,0.0042322633,GGA,P1,A4BC7_aP12_1_4a_a_7a:La-S-Se,12.0,A4BC7_aP12_1_4a_a_7a:La-S-Se +mp-1222870,LaMo6(SeS)4,-7.8179515187,-1.1153279758,0.0058955281,0.0058955281,GGA,P1,AB6C4D4_aP15_1_a_6a_4a_4a:La-Mo-S-Se,15.0,AB6C4D4_aP15_1_a_6a_4a_4a:La-Mo-S-Se +mp-1211047,Nd6TiInS12,-6.532711072,-2.0880381348,0.0061285855,0.0061285855,GGA,Pnnm,AB6C12D_oP40_58_a_3g_6g_c:In-Nd-S-Ti,40.0,AB6C12D_oP40_58_a_3g_6g_c:In-Nd-S-Ti +mp-1213525,ErFeGe2O7,-7.6606272064,-2.4869347783,0.0058601796,0.0058601796,GGA+U,C2/m,ABC2D7_mC44_12_g_h_2i_3i2j:Er-Fe-Ge-O,22.0,ABC2D7_mC44_12_g_h_2i_3i2j:Er-Fe-Ge-O +mp-561635,CsSmSiS4,-5.6745759675,-1.7338465383,0.0,-0.0750841508,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Cs-S-Si-Sm,28.0,"Invalid WP multiplicities - AB4CD_oP28_19_a_15a_a_a:Cs-S-Si-Sm, expected CsSmSiS15 to be CsSmSiS4" +mp-2227656,TmMg(FeO2)2,-7.6156660925,-2.2653020002,0.3332359945,0.3332359945,GGA+U,Cm,A2BC4D_mC16_8_2a_a_4a_a:Fe-Mg-O-Tm,8.0,A2BC4D_mC16_8_2a_a_4a_a:Fe-Mg-O-Tm +mp-2227354,TmMg(FeO2)2,-7.456854815,-2.1064907227,0.492047272,0.492047272,GGA+U,R-3m,A2BC4D_hR24_166_c_a_2c_b:Fe-Mg-O-Tm,8.0,A2BC4D_hR24_166_c_a_2c_b:Fe-Mg-O-Tm +mp-1110864,K2LiTbCl6,-4.417517722,-2.4319870399,0.0326324765,0.0326324765,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tb,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Tb +mp-1111649,K2NaScBr6,-3.987987518,-2.0685912908,0.0,-0.0004990992,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Sc +mp-1113735,Rb2LiAuF6,-4.221039489,-2.3597648073,0.091240646,0.091240646,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Li-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Li-Rb +mp-1207446,Zr(FeSn)6,-6.4873538462,-0.0700262292,0.0300808273,0.0300808273,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Fe-Sn-Zr,13.0,A6B6C_hP13_191_i_cde_a:Fe-Sn-Zr +mp-1207263,Zr6FeSn2,-7.9267307211,-0.3961341989,0.0,-0.0128946136,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sn-Zr,9.0,AB2C6_hP9_189_a_d_fg:Fe-Sn-Zr +mp-1207523,Zr6Fe(SnH5)2,-5.8737069358,-0.5209369805,0.0751550208,0.0751550208,GGA,P-62c,AB10C2D6_hP38_190_b_ag2h_f_gh:Fe-H-Sn-Zr,38.0,AB10C2D6_hP38_190_b_ag2h_f_gh:Fe-H-Sn-Zr +mp-1218207,SrLaScO4,-8.3493647364,-3.6715469495,0.0301798729,0.0301798729,GGA,Cmc2_1,AB4CD_oC28_36_a_2ab_a_a:La-O-Sc-Sr,14.0,"Invalid WP multiplicities - AB4CD_oC28_36_a_4ab_a_a:La-O-Sc-Sr, expected SrLaScO6 to be SrLaScO4" +mp-1218142,SrLaScO4,-8.3322381571,-3.6544203702,0.0473064521,0.0473064521,GGA,I4mm,AB4CD_tI14_107_a_2ab_a_a:La-O-Sc-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:La-O-Sc-Sr +mp-1218245,SrLa2Sc2O7,-8.6680632908,-3.7636243865,0.0421024075,0.0421024075,GGA,I4/mmm,A2B7C2D_tI24_139_e_aeg_e_b:La-O-Sc-Sr,12.0,A2B7C2D_tI24_139_e_aeg_e_b:La-O-Sc-Sr +mp-706524,Sr3La4O9,-7.6773263831,-3.3440321843,0.2319319833,0.2319319833,GGA,P1,A4B9C3_aP32_1_8a_18a_6a:La-O-Sr,32.0,A4B9C3_aP32_1_8a_18a_6a:La-O-Sr +mp-1173228,Sr3La4O9,-7.7186250859,-3.3853308871,0.1906332805,0.1906332805,GGA,P1,A4B9C3_aP32_1_8a_18a_6a:La-O-Sr,32.0,A4B9C3_aP32_1_8a_18a_6a:La-O-Sr +mp-757624,Sr3La4O9,-7.8507801784,-3.5174859796,0.058478188,0.058478188,GGA,Cc,A4B9C3_mC64_9_4a_9a_3a:La-O-Sr,32.0,A4B9C3_mC64_9_8a_18a_6a:La-O-Sr +mp-755969,Sr3La4O9,-7.8104519813,-3.4771577824,0.0988063852,0.0988063852,GGA,R3,A4B9C3_hR48_146_4a_3b_3a:La-O-Sr,16.0,"Invalid WP multiplicities - A4B9C3_hR48_146_4a_6b_3a:La-O-Sr, expected Sr3La4O18 to be Sr3La4O9" +mp-752555,SrLa2O4,-8.0693809743,-3.5910577588,0.056083148,0.056083148,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:La-O-Sr,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_5c_13c_c:La-O-Sr, expected SrLa5O13 to be SrLa2O4" +mp-752533,SrLa2O4,-8.0483202671,-3.5699970517,0.0771438552,0.0771438552,GGA,Cmcm,A2B4C_oC28_63_f_acf_c:La-O-Sr,14.0,"Invalid WP multiplicities - A2B4C_oC28_63_f_a2c2f_c:La-O-Sr, expected SrLa2O7 to be SrLa2O4" +mp-754211,SrLa2O4,-8.0779545657,-3.5996313502,0.0475095566,0.0475095566,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:La-O-Sr,14.0,A2B4C_cF56_227_c_e_b:La-O-Sr +mp-1211869,La3Sc2(GaO4)3,-8.1775982814,-3.381722675,0.0,-0.0409165641,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Sc,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ga-La-O-Sc +mp-17741,Sm2ReO5,-9.0327994744,-3.205906598,0.0,-0.0358868976,GGA,P4/n,A5BC2_tP32_85_ab2g_2c_g:O-Re-Sm,32.0,"Invalid WP multiplicities - A5BC2_tP32_85_ab3g_2c_g:O-Re-Sm, expected Sm2ReO7 to be Sm2ReO5" +mp-541928,Sm3Re2O9,-9.010012955,-3.0410835853,0.0120277816,0.0120277816,GGA,P-1,A9B2C3_aP28_2_9i_2i_3i:O-Re-Sm,28.0,A9B2C3_aP28_2_9i_2i_3i:O-Re-Sm +mp-7423,Sm3ReO8,-8.7920051129,-3.2775221729,0.0,-0.1029541298,GGA,P2_1/c,A8BC3_mP48_14_8e_e_3e:O-Re-Sm,48.0,A8BC3_mP48_14_8e_e_3e:O-Re-Sm +mp-13929,Ba2SmReO6,-8.049198902,-2.9810793553,0.0032130408,0.0032130408,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Sm +mp-1219465,Sm(ReO5)3,-7.8775178518,-1.7589653066,0.2116635987,0.2116635987,GGA,Pna2_1,A15B3C_oP76_33_15a_3a_a:O-Re-Sm,76.0,A15B3C_oP76_33_15a_3a_a:O-Re-Sm +mp-15281,Sm3ReO7,-8.8477499,-3.2816493028,0.0498158747,0.0498158747,GGA,Cmcm,A7BC3_oC44_63_cgh_a_bg:O-Re-Sm,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_cg2h_a_b2g:O-Re-Sm, expected Sm5ReO11 to be Sm3ReO7" +mp-1209603,SmRe3O16,-7.6238578424,-1.5638984889,0.3081989712,0.3081989712,GGA,Pna2_1,A16B3C_oP80_33_16a_3a_a:O-Re-Sm,80.0,A16B3C_oP80_33_16a_3a_a:O-Re-Sm +mp-1214813,Ba2LuReO6,-8.132458843,-3.0841028578,0.0,-0.0343617013,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Lu-O-Re,10.0,A2BC6D_mC20_12_i_a_ij_c:Ba-Lu-O-Re +mp-13384,ErAg(PSe3)2,-4.7548681435,-0.8346332742,0.0,-0.0404393885,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Ag-Er-P-Se,20.0,ABC2D6_hP20_163_c_a_f_i:Ag-Er-P-Se +mp-571250,TaP2Se2Cl5,-5.1385409954,-1.2466521055,0.0,-0.0078286944,GGA,P2_1/c,A5B2C2D_mP80_14_10e_4e_4e_2e:Cl-P-Se-Ta,80.0,"Invalid WP multiplicities - A5B2C2D_mP80_14_36e_15e_13e_5e:Cl-P-Se-Ta, expected Ta5P15Se13Cl36 to be TaP2Se2Cl5" +mp-1228494,Ba2PrPbO6,-6.761932378,-2.5607688808,0.0556740474,0.0556740474,GGA,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pb-Pr,10.0,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pb-Pr +mp-13000,Ba2HoTaO6,-8.589372012,-3.5935451472,0.0,-0.0638085906,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Ho-O-Ta,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Ho-O-Ta +mp-13001,Ba2HoTaO6,-8.588606456,-3.5927795912,0.000765556,-0.0630430346,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Ta +mp-559668,Cs2CdBi2S5,-4.1143223345,-1.0066301246,0.0,-0.032979272,GGA,Pnma,A2BC2D5_oP40_62_2c_c_2c_5c:Bi-Cd-Cs-S,40.0,"Invalid WP multiplicities - A2BC2D5_oP40_62_5c_c_4c_17c:Bi-Cd-Cs-S, expected Cs4CdBi5S17 to be Cs2CdBi2S5" +mp-1071208,LaAl2BOs2,-7.4618571117,-0.5349762124,0.0,-0.0491873132,GGA,P4/mmm,A2BCD2_tP6_123_h_b_a_e:Al-B-La-Os,6.0,A2BCD2_tP6_123_h_b_a_e:Al-B-La-Os +mp-1192652,La2Al(BOs)2,-7.5290505554,-0.4674636351,0.0,-0.01749067,GGA,C2/c,AB2C2D2_mC56_15_f_2f_2f_2f:Al-B-La-Os,28.0,AB2C2D2_mC56_15_f_2f_2f_2f:Al-B-La-Os +mp-1213183,GaAsO6,-5.6350865353,-0.9641681984,0.4923195929,0.4923195929,GGA,Pbca,ABC6_oP64_61_c_c_6c:As-Ga-O,64.0,ABC6_oP64_61_c_c_6c:As-Ga-O +mp-531272,GaAsO4,-6.4564296254,-1.8774347466,0.0645489752,-0.0208459089,GGA,C2,ABC4_mC108_5_a4c_b4c_18c:As-Ga-O,54.0,"Invalid WP multiplicities - ABC4_mC108_5_a7c_b7c_29c:As-Ga-O, expected Ga15As15O58 to be GaAsO4" +mp-1102977,GaAsO4,-6.5163173425,-1.9373224638,0.0046612581,-0.080733626,GGA,C222_1,ABC4_oC24_20_a_b_2c:As-Ga-O,12.0,ABC4_oC24_20_a_b_2c:As-Ga-O +mp-3996,GaAsO4,-6.5209786006,-1.9419837218,0.0,-0.0853948841,GGA,P3_121,ABC4_hP18_152_a_b_2c:As-Ga-O,18.0,ABC4_hP18_152_a_b_2c:As-Ga-O +mp-545346,LiGaAs2O7,-6.3798209045,-1.935995752,0.0267221089,0.0267221089,GGA,C2,A2BCD7_mC22_5_c_a_a_b3c:As-Ga-Li-O,11.0,A2BCD7_mC22_5_c_a_a_b3c:As-Ga-Li-O +mp-556010,LuMoClO4,-7.9736055957,-2.687621005,0.0072160262,0.0072160262,GGA+U,P-1,ABCD4_aP14_2_i_i_i_4i:Cl-Lu-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_aP14_2_i_i_i_6i:Cl-Lu-Mo-O, expected LuMoClO6 to be LuMoClO4" +mp-605771,TlIn(MoO4)2,-7.4347244308,-1.9031296986,0.0,-0.0069830048,GGA+U,Pnma,AB2C8D_oP48_62_c_2c_4c2d_c:In-Mo-O-Tl,48.0,"Invalid WP multiplicities - AB2C8D_oP48_62_c_8c_14c14d_c:In-Mo-O-Tl, expected TlIn(Mo4O21)2 to be TlIn(MoO4)2" +mp-1226984,La10Ga3Co7,-5.653923471,-0.2437942869,0.0,-0.0005113787,GGA,Pmc2_1,A7B3C10_oP40_26_3a4b_2ab_5a5b:Co-Ga-La,40.0,A7B3C10_oP40_26_3a4b_2ab_5a5b:Co-Ga-La +mp-1223645,La6Ga3Co11,-6.0668293707,-0.2222380486,0.0,-0.0034021513,GGA,I4cm,A11B3C6_tI80_108_b3cd_ac_2a2c:Co-Ga-La,40.0,A11B3C6_tI80_108_b3cd_ac_2a2c:Co-Ga-La +mp-1223437,La2Ga7Co,-4.29377762,-0.4760772038,0.053426812,0.053426812,GGA,P-4m2,AB7C2_tP10_115_a_bcd2g_g:Co-Ga-La,10.0,"Invalid WP multiplicities - AB7C2_tP10_115_a_bcd4g_g:Co-Ga-La, expected La2Ga11Co to be La2Ga7Co" +mp-1105630,LaGa2Co3,-5.726879005,-0.3406869158,0.0111036458,0.0111036458,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-La,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-La +mp-1223198,LaGa3Co10,-6.2623961018,-0.183576593,0.0074768979,0.0074768979,GGA,Fmm2,A10B3C_oF112_42_2a2c3d2e_2cd_b:Co-Ga-La,28.0,"Invalid WP multiplicities - A10B3C_oF112_42_2a2c3d3e_2cd_b:Co-Ga-La, expected La(GaCo4)3 to be LaGa3Co10" +mp-1191572,La3GaCoS7,-6.3402504425,-1.8486184258,0.0395790303,0.0395790303,GGA,P6_3,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-La-S,24.0,ABC3D7_hP24_173_a_b_c_b2c:Co-Ga-La-S +mp-1192417,BaGePbO4,-6.642155035,-2.3505257907,0.0,-0.0043474769,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Ba-Ge-O-Pb,28.0,ABC4D_oP28_19_a_a_4a_a:Ba-Ge-O-Pb +mp-865500,Na2Hf2O5,-8.4248304489,-3.1700668708,0.0,-0.0099741217,GGA,P4/mmm,A2B2C5_tP9_123_h_ab_ci:Hf-Na-O,9.0,"Invalid WP multiplicities - A2B2C5_tP9_123_h_ab_c2i:Hf-Na-O, expected Na2Hf2O9 to be Na2Hf2O5" +mp-1210635,Na2Hf(MoO4)3,-8.1637150975,-2.3581898485,0.03586225,0.03586225,GGA+U,C2/c,AB3C2D12_mC72_15_e_ef_f_6f:Hf-Mo-Na-O,36.0,AB3C2D12_mC72_15_e_ef_f_6f:Hf-Mo-Na-O +mp-558067,Na8Hf(MoO4)6,-7.5039265506,-2.2646490863,0.0081945174,0.0081945174,GGA+U,P2_1/c,AB6C8D24_mP78_14_a_3e_4e_12e:Hf-Mo-Na-O,78.0,"Invalid WP multiplicities - AB6C8D24_mP78_14_a_7e_14e_42e:Hf-Mo-Na-O, expected Na28Hf(MoO6)14 to be Na8Hf(MoO4)6" +mp-18079,BaLaCuS3,-5.860776805,-1.9668537524,0.0,-0.0447911896,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Ba-Cu-La-S,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_4c:Ba-Cu-La-S, expected BaLaCuS4 to be BaLaCuS3" +mp-6770,BaLa2MnS5,-6.7514928867,-2.1253535782,0.0,-0.0292089769,GGA,I4/mcm,AB2CD5_tI36_140_a_h_b_cl:Ba-La-Mn-S,18.0,AB2CD5_tI36_140_a_h_b_cl:Ba-La-Mn-S +mp-1216027,Yb4MnS7,-5.4207939075,-1.7311607842,0.1769005775,0.1769005775,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Mn-S-Yb,,AB7C4_mC24_8_a_7a_4a:Mn-S-Yb +mp-675252,Yb2MnS4,-5.63969639,-1.5272633443,0.28168485,0.28168485,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mn-S-Yb,,AB4C2_tI28_122_a_e_d:Mn-S-Yb +mp-20213,Yb2MnS4,-5.6103832014,-1.4979501558,0.3109980386,0.3109980386,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-S-Yb,,AB4C2_cF56_227_a_e_d:Mn-S-Yb +mp-1232165,YbMgS3,-4.458950698,-1.3491031119,0.369330416,0.369330416,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Yb,,AB3C_mC20_12_g_ij_i:Mg-S-Yb +mp-1237978,YbMgS3,-4.4830388235,-1.3731912374,0.3452422905,0.3452422905,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Yb,,AB3C_mC20_12_g_ij_i:Mg-S-Yb +mp-1232238,YbMgS3,-4.405006483,-1.2951588969,0.423274631,0.423274631,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-S-Yb,,AB3C_hR30_148_c_f_c:Mg-S-Yb +mp-1232229,Yb2MgS4,-4.8061265232,-1.7739413693,0.1673737082,0.1673737082,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Yb,,AB4C2_aP28_2_2i_8i_4i:Mg-S-Yb +mp-1232228,Yb2MgS4,-4.7249846757,-1.6927995218,0.2485155557,0.2485155557,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Yb,,AB4C2_oP56_29_2a_8a_4a:Mg-S-Yb +mp-1232217,Yb2MgS4,-4.7242432629,-1.6920581089,0.2492569686,0.2492569686,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Yb,,AB4C2_oP28_62_c_4c_2c:Mg-S-Yb +mp-1232219,Yb2MgS4,-4.6267221414,-1.5945369875000002,0.34677809,0.34677809,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Yb,,AB4C2_oP28_62_c_2cd_ac:Mg-S-Yb +mp-1232247,Yb2MgS4,-4.7616587879,-1.7294736339,0.2118414436,0.2118414436,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Yb,,AB4C2_oP28_62_c_2cd_2c:Mg-S-Yb +mp-1100853,Yb2MgS4,-4.6868222329,-1.6546370789,0.2866779986,0.2866779986,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Yb,,AB4C2_tI28_122_a_e_d:Mg-S-Yb +mp-8272,Yb2MgS4,-4.5764670529,-1.5442818989,0.3970331786,0.3970331786,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Yb,,AB4C2_cF56_227_a_e_d:Mg-S-Yb +mp-1215805,Yb4MgMnS8,-5.1266853421,-1.5543762424,0.3207553936,0.3207553936,GGA,F-43m,ABC8D4_cF56_216_a_c_2e_e:Mg-Mn-S-Yb,,ABC8D4_cF56_216_a_c_2e_e:Mg-Mn-S-Yb +mp-1216226,Yb7(MnS6)2,-5.5061265571,-1.756665274,0.1745924214,0.1745924214,GGA,P2_1,A2B12C7_mP42_4_2a_12a_7a:Mn-S-Yb,,"Invalid WP multiplicities - A2B12C7_mP42_4_2a_20a_11a:Mn-S-Yb, expected Yb11(MnS10)2 to be Yb7(MnS6)2" +mp-1246683,Mg2Mn3NiS8,-5.9462299279,-0.9777769571,0.0907688664,0.0907688664,GGA,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Mg-Mn-Ni-S,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c2h:Mg-Mn-Ni-S, expected Mg2Mn3NiS16 to be Mg2Mn3NiS8" +mp-1247200,Mg2MnNi3S8,-5.2955370114,-0.8102095566,0.1892344229,0.1892344229,GGA,R-3m,A2BC3D8_hR42_166_c_a_d_ch:Mg-Mn-Ni-S,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_166_c_a_d_2c3h:Mg-Mn-Ni-S, expected Mg2MnNi3S22 to be Mg2MnNi3S8" +mp-1247057,MgMnNiS4,-5.6503605214,-0.9234703086,0.1157167017,0.1157167017,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Mg-Mn-Ni-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_3h3i:Mg-Mn-Ni-S, expected MgMnNiS12 to be MgMnNiS4" +mp-2215879,MgCu2(RhO2)4,-6.3339094507,-1.0786138133,0.2075120435,0.2075120435,GGA,Imm2,A2BC8D4_oI30_44_ab_a_2c2d_cd:Cu-Mg-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_oI30_44_ab_a_3c4d_cd:Cu-Mg-O-Rh, expected MgCu2(Rh2O7)2 to be MgCu2(RhO2)4" +mp-2215902,MgCu2(RhO2)4,-6.351522928,-1.0962272907,0.1898985662,0.1898985662,GGA,R-3m,A2BC8D4_hR45_166_c_b_ch_ad:Cu-Mg-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_166_c_b_c2h_a2d:Cu-Mg-O-Rh, expected MgCu2(RhO2)7 to be MgCu2(RhO2)4" +mp-2220780,MgCu2(RhO2)4,-5.8815505933,-0.626254956,0.6598709008,0.6598709008,GGA,F-43m,A2BC8D4_cF60_216_ac_b_2e_e:Cu-Mg-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_cF60_216_ac_b_4e_e:Cu-Mg-O-Rh, expected MgCu2(RhO4)4 to be MgCu2(RhO2)4" +mp-1210801,MnAg2SnS4,-5.0090119519,-0.5861996242,0.013650899,0.013650899,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-S-Sn,16.0,A2BC4D_oP16_31_b_a_2ab_a:Ag-Mn-S-Sn +mp-1223011,MnAg2Sn3S8,-4.652734125,-0.3707739965,0.2763181069,0.2763181069,GGA,C2/m,A2BC8D3_mC28_12_e_a_2j_ci:Ag-Mn-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_mC28_12_e_c_8j_bi:Ag-Mn-S-Sn, expected MnAg2Sn3S32 to be MnAg2Sn3S8" +mp-1221783,MnAg2Sn3S8,-4.9285183536,-0.6465582251,0.0005338783,0.0005338783,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Ag-Mn-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Ag-Mn-S-Sn, expected MnAg2Sn3S22 to be MnAg2Sn3S8" +mp-1220007,Pr2Si2PbS8,-5.9400237965,-1.5387396754,0.0,-0.0229195455,GGA,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Pb-Pr-S-Si,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_4a_14a_2a:Pb-Pr-S-Si, expected Pr4Si2PbS14 to be Pr2Si2PbS8" +mp-1218012,TaFe(PbO3)2,-7.908615481,-2.1652929563,0.0555442207,0.0555442207,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Pb-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Pb-Ta +mp-1224293,Ho2FeMoO7,-8.4734093877,-2.7363812024,0.1518408928,0.1518408928,GGA+U,P-1,AB2CD7_aP22_2_ae_bcdh_fg_7i:Fe-Ho-Mo-O,22.0,"Invalid WP multiplicities - AB2CD7_aP22_2_ae_bcdh_fg_13i:Fe-Ho-Mo-O, expected Ho2FeMoO13 to be Ho2FeMoO7" +mp-560300,Nd3CuSnS7,-6.0128076787,-1.7321101879,0.0,-0.0226788698,GGA,P6_3,AB3C7D_hP24_173_a_c_b2c_b:Cu-Nd-S-Sn,24.0,"Invalid WP multiplicities - AB3C7D_hP24_173_a_c_b10c_b:Cu-Nd-S-Sn, expected Nd3CuSnS31 to be Nd3CuSnS7" +mp-680154,Rb2Ti(GeO3)3,-6.9072894047,-2.3575665961,0.0847798662,0.0701087442,GGA,P-3c1,A3B9C2D_hP90_165_fg_f4g_g_bd:Ge-O-Rb-Ti,90.0,"Invalid WP multiplicities - A3B9C2D_hP90_165_3f4g_6f40g_g_2b2d:Ge-O-Rb-Ti, expected Rb2Ti2Ge11O86 to be Rb2Ti(GeO3)3" +mp-555252,Rb2Ti(GeO3)3,-6.9920692709,-2.4423464624,0.0,-0.0146711221,GGA,P-3c1,A3B9C2D_hP90_165_fg_f4g_g_bd:Ge-O-Rb-Ti,90.0,"Invalid WP multiplicities - A3B9C2D_hP90_165_5f6g_6f37g_g_bd:Ge-O-Rb-Ti, expected Rb2TiGe17O80 to be Rb2Ti(GeO3)3" +mp-1113058,Cs2KErCl6,-4.379376038,-2.5233617919,0.0,-0.0023403457,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-K,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Er-K +mp-1095151,BaCdAsF,-4.3141352238,-1.9610197056,0.0,-0.0032249125,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ba-Cd-F,8.0,ABCD_tP8_129_c_c_a_b:As-Ba-Cd-F +mp-1209261,RbCaZrF7,-6.448712223,-3.9572934875,0.0,-0.0174338074,GGA,Cmcm,AB7CD_oC40_63_c_cf2g_a_c:Ca-F-Rb-Zr,20.0,AB7CD_oC40_63_c_cf2g_a_c:Ca-F-Rb-Zr +mp-17057,Sr2SnSe3F2,-5.1080481741,-2.3956417829,0.0113085559,0.0113085559,GGA,Pnma,A2B3CD2_oP32_62_d_cd_c_d:F-Se-Sn-Sr,32.0,"Invalid WP multiplicities - A2B3CD2_oP32_62_d_c2d_c_d:F-Se-Sn-Sr, expected Sr2SnSe5F2 to be Sr2SnSe3F2" +mp-1112105,Cs2TlSbI6,-2.873342301,-1.1610775779,0.02341934,0.02341934,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Sb-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Sb-Tl +mp-1206535,Cs2RbCuF6,-4.392687239,-2.5587453098,0.0,-0.074176898,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Rb,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Rb +mp-19915,Sr4In2N,-3.4805971129,-0.5380490845,0.0,-0.0093421989,GGA,I4_1/amd,A2BC4_tI28_141_e_a_2e:In-N-Sr,14.0,"Invalid WP multiplicities - A2BC4_tI28_141_e_a_4e:In-N-Sr, expected Sr8In2N to be Sr4In2N" +mp-1246921,Sr3(InN2)2,-5.3736251811,-0.4938665678,0.1444533661,0.1444533661,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:In-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:In-N-Sr +mp-1246135,Sr3(InN2)2,-5.3437030119,-0.4639443986,0.1743755353,0.1743755353,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:In-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:In-N-Sr +mp-1247569,Sr2InN2,-5.1104744275,-0.5497423302000001,0.086204524,0.086204524,GGA,Cmce,AB2C2_oC40_64_f_2f_2f:In-N-Sr,20.0,AB2C2_oC40_64_f_2f_2f:In-N-Sr +mp-1245417,Sr3InN3,-5.2726023479,-0.58265251,0.0727745996,0.0727745996,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:In-N-Sr,14.0,AB3C3_hP14_176_c_h_h:In-N-Sr +mp-641775,Sr19In8N7,-3.8976436653,-0.5897227850000001,0.0,-0.0077124851,GGA,Fm-3m,A8B7C19_cF136_225_f_be_aeh:In-N-Sr,34.0,"Invalid WP multiplicities - A8B7C19_cF136_225_f_be_a6e5h:In-N-Sr, expected Sr97In8N7 to be Sr19In8N7" +mp-571541,Sr8In4Cu3N5,-4.5211877325,-0.5960488734,0.0,-0.0317287915,GGA,Immm,A3B4C5D8_oI40_71_ae_eg_cn_2n:Cu-In-N-Sr,20.0,"Invalid WP multiplicities - A3B4C5D8_oI40_71_ae_eg_c2n_4n:Cu-In-N-Sr, expected Sr16In4(CuN3)3 to be Sr8In4Cu3N5" +mp-1245757,Sr3In3N5,-5.4037239741,-0.4031779582,0.1590182882,0.1590182882,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:In-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:In-N-Sr +mp-1218847,SrCa2Yb10O18,-6.3836091453,-2.830797119,0.1521173844,0.1521173844,GGA,P1,A2B18CD10_aP62_1_4a_36a_2a_20a:Ca-O-Sr-Yb,,A2B18CD10_aP62_1_4a_36a_2a_20a:Ca-O-Sr-Yb +mp-1208932,SrCa3Yb9O18,-6.4433396376,-2.8754956242,0.0868229683,0.0868229683,GGA,P6_3,A3B18CD9_hP62_173_c_6c_b_3c:Ca-O-Sr-Yb,,A3B18CD9_hP62_173_c_6c_b_3c:Ca-O-Sr-Yb +mp-11912,NaNd2IrO6,-7.5617188455,-2.6239801849,0.0054125038,0.0054125038,GGA,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Ir-Na-Nd-O,20.0,ABC2D6_mP20_14_a_b_e_3e:Ir-Na-Nd-O +mp-1246077,Mg5(GeN3)2,-5.7965221808,-0.6221817569,0.1891754649,0.1891754649,GGA,C2/c,A2B5C6_mC52_15_f_e2f_3f:Ge-Mg-N,26.0,A2B5C6_mC52_15_f_e2f_3f:Ge-Mg-N +mp-1247274,MgGe7N10,-6.7275875861,-0.2094529036,0.1518779236,0.1518779236,GGA,Pc,A7BC10_mP36_7_7a_a_10a:Ge-Mg-N,36.0,A7BC10_mP36_7_7a_a_10a:Ge-Mg-N +mp-1247326,Mg(GeN)2,-5.807033374,-0.303168252,0.303835716,0.303835716,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Ge-Mg-N,5.0,A2BC2_hP5_164_d_a_d:Ge-Mg-N +mp-1247225,Mg4GeN4,-5.5726434111,-0.6426292161,0.1921067888,0.1921067888,GGA,Pnna,AB4C4_oP36_52_c_cde_2e:Ge-Mg-N,36.0,AB4C4_oP36_52_c_cde_2e:Ge-Mg-N +mp-1246128,Mg7GeN6,-5.4581104446,-0.754970605,0.1014742698,0.1014742698,GGA,Ibam,AB7C6_oI56_72_a_bjk_jk:Ge-Mg-N,28.0,AB7C6_oI56_72_a_bjk_jk:Ge-Mg-N +mp-1245793,Mg(GeN)4,-5.9839860578,-0.0463892611,0.3871944725,0.3871944725,GGA,Pnna,A4BC4_oP36_52_2ce_d_2e:Ge-Mg-N,36.0,A4BC4_oP36_52_2ce_d_2e:Ge-Mg-N +mp-1019521,Ba3MgGeN4,-5.7536323183,-0.7173864933,0.0191488955,0.0191488955,GGA,Pnna,A3BCD4_oP36_52_ce_c_d_2e:Ba-Ge-Mg-N,36.0,A3BCD4_oP36_52_ce_c_d_2e:Ba-Ge-Mg-N +mp-7798,MgGeN2,-6.4828293988,-0.75875496,0.0,-0.2410823159,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ge-Mg-N,16.0,ABC2_oP16_33_a_a_2a:Ge-Mg-N +mp-1214608,Ba6Gd2Ga4O15,-7.6407115909,-2.9748297806,0.0,-0.0197903956,GGA,P2/c,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Gd-O,54.0,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Ga-Gd-O +mp-1215552,Zr2AlFe3,-8.080876025,-0.3723692383,0.0141841325,-0.0274010221,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Fe-Zr,6.0,AB3C2_hR18_166_a_d_c:Al-Fe-Zr +mp-1215595,Zr2AlFe3,-8.0950601575,-0.3865533708,0.0,-0.0415851546,GGA,P6_3/mmc,AB3C2_hP12_194_a_h_f:Al-Fe-Zr,12.0,AB3C2_hP12_194_a_h_f:Al-Fe-Zr +mp-1105077,Zr(Al2Fe)4,-5.99891196,-0.4302664131,0.0,-0.0419648547,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Zr,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Zr +mp-1215319,ZrAlFe4,-7.985104115,-0.2895438983,0.0,-0.0100520929,GGA,F-43m,AB4C_cF24_216_a_e_c:Al-Fe-Zr,6.0,AB4C_cF24_216_a_e_c:Al-Fe-Zr +mp-1207402,Zr6Al2FeH10,-5.8348530671,-0.5098721671,0.1163834323,0.1163834323,GGA,P-62c,A2BC10D6_hP38_190_f_b_ag2h_gh:Al-Fe-H-Zr,38.0,A2BC10D6_hP38_190_f_b_ag2h_gh:Al-Fe-H-Zr +mp-1206123,AlFe3H,-6.715165902,-0.205492801,0.0,-0.033168009,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Fe-H,5.0,AB3C_cP5_221_a_c_b:Al-Fe-H +mp-1215340,ZrAlFe,-7.3291708858,-0.4080716625,0.0289047831,0.0289047831,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Zr, expected Zr3(AlFe)2 to be ZrAlFe" +mp-1097461,ZrAlFe2,-4.41651506,2.89181466,3.2762262249,3.2762262249,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Fe-Zr,4.0,AB2C_oI8_71_a_e_b:Al-Fe-Zr +mp-11038,Zr6Al2Fe,-7.7742815933,-0.3023508544,0.0097501372,0.0097501372,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Al-Fe-Zr,9.0,A2BC6_hP9_189_c_b_fg:Al-Fe-Zr +mp-1215723,Zr(AlFe)6,-6.6967102292,-0.4012269315,0.0,-0.0398831943,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Zr,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Zr +mp-1215720,Zr3AlFe8,-8.3880060058,-0.2922687225,0.0,-0.0071550617,GGA,R3m,AB8C3_hR36_160_a_2a2b_3a:Al-Fe-Zr,12.0,"Invalid WP multiplicities - AB8C3_hR36_160_a_2a6b_3a:Al-Fe-Zr, expected Zr3AlFe20 to be Zr3AlFe8" +mp-1225753,Eu2MnRhO6,-9.0940545335,-2.4220086305,0.014282697,0.014282697,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Eu-Mn-O-Rh,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_b:Eu-Mn-O-Rh, expected Eu2MnRhO10 to be Eu2MnRhO6" +mp-1218193,SrMg3GeN4,-5.7600044644,-0.8200776691,0.0122316307,0.0122316307,GGA,Cm,AB3C4D_mC18_8_a_3a_4a_a:Ge-Mg-N-Sr,9.0,AB3C4D_mC18_8_a_3a_4a_a:Ge-Mg-N-Sr +mp-567398,Sr3MgGeN4,-5.7872078858,-0.8274558897000001,0.0,-0.0194194758,GGA,Pnna,ABC4D3_oP36_52_c_d_2e_ce:Ge-Mg-N-Sr,36.0,"Invalid WP multiplicities - ABC4D3_oP36_52_c_d_7e_4c3e:Ge-Mg-N-Sr, expected Sr10MgGeN14 to be Sr3MgGeN4" +mp-1227512,Bi4(SeS)3,-4.4815191705,-0.6556151151,0.0208965095,0.0208965095,GGA,Pmc2_1,A4B3C3_oP20_26_2a2b_2ab_a2b:Bi-S-Se,20.0,A4B3C3_oP20_26_2a2b_2ab_a2b:Bi-S-Se +mp-1227504,Bi2Se2S,-4.419280697,-0.6574304806,0.0233238663,0.0233238663,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Bi-S-Se,20.0,A2BC2_oP20_62_2c_c_2c:Bi-S-Se +mp-1229130,Ag2Bi2SeS3,-4.1113939687,-0.4549750506,0.0552308817,0.0552308817,GGA,Imm2,A2B2C3D_oI16_44_ab_ab_a2b_a:Ag-Bi-S-Se,8.0,A2B2C3D_oI16_44_ab_ab_a2b_a:Ag-Bi-S-Se +mp-1229089,AgBiSeS,-3.9800949675,-0.403743348,0.1094093281,0.1094093281,GGA,P4/mmm,ABCD_tP4_123_a_d_b_c:Ag-Bi-S-Se,4.0,ABCD_tP4_123_a_d_b_c:Ag-Bi-S-Se +mp-19199,BaSm2NiO5,-7.7093621033,-3.0571701649,0.0,-0.0051665753,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Sm,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Sm +mp-1521346,BaSm(NiO3)4,-6.0122533317,-1.0612326467,0.3976734232,0.3976734232,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Ni-O-Sm, expected BaSm(NiO4)4 to be BaSm(NiO3)4" +mp-1046487,Sr2GaMo2O7,-7.5165250537,-2.2894247098,0.230967008,0.230967008,GGA+U,C2,AB2C7D2_mC48_5_c_2c_7c_2c:Ga-Mo-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_5_c_3c_14c_2c:Ga-Mo-O-Sr, expected Sr2GaMo3O14 to be Sr2GaMo2O7" +mp-1022048,Mg6CrCo,-3.0489891594,0.2463915362,0.2659874542,0.2659874542,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Cr-Mg, expected Mg12CrCo to be Mg6CrCo" +mp-1022092,Mg6CrCo,-3.0154627937,0.2799179019,0.2995138198,0.2995138198,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Cr-Mg, expected Mg12CrCo to be Mg6CrCo" +mp-1247158,Mg2CrCo3S8,-5.77260635,-0.9675949293,0.0767129755,0.0767129755,GGA,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Co-Cr-Mg-S,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c3h:Co-Cr-Mg-S, expected Mg2CrCo3S22 to be Mg2CrCo3S8" +mp-1028410,Mg14CrCo,-2.253030285,0.1948000878,0.2143296014,0.2143296014,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Cr-Mg, expected Mg18CrCo to be Mg14CrCo" +mp-1028407,Mg14CrCo,-2.3023203256,0.1455100472,0.1650395608,0.1650395608,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Cr-Mg, expected Mg26CrCo to be Mg14CrCo" +mp-1247504,MgCrCoS4,-6.0203602186,-1.0335823925,0.0644477396,0.0644477396,GGA,Imma,ABCD4_oI28_74_a_c_e_hi:Co-Cr-Mg-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_3h3i:Co-Cr-Mg-S, expected MgCrCoS12 to be MgCrCoS4" +mp-1247151,Mg2Cr3CoS8,-6.261531265,-1.0929870336,0.0587653259,0.0587653259,GGA,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Co-Cr-Mg-S,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2c2h:Co-Cr-Mg-S, expected Mg2Cr3CoS16 to be Mg2Cr3CoS8" +mp-1226286,CrCdInS4,-5.1761868593,-0.9085553696,0.0247366014,0.0247366014,GGA,Imma,ABCD4_oI28_74_e_a_c_hi:Cd-Cr-In-S,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h2i:Cd-Cr-In-S, expected CrCdInS8 to be CrCdInS4" +mp-1226071,Cr7Cd3(InS8)2,-5.9880685707,-0.9156911814,0.0427488587,0.0427488587,GGA,Pm,A3B7C2D16_mP28_6_2ab_a2b2c_ab_4a4b4c:Cd-Cr-In-S,28.0,"Invalid WP multiplicities - A3B7C2D16_mP28_6_2ab_a2b4c_ab_4a4b8c:Cd-Cr-In-S, expected Cr11Cd3(InS12)2 to be Cr7Cd3(InS8)2" +mp-1214675,Ba5Cr3ClO12,-7.4122873631,-2.6616769676,0.0,-0.0071634733,GGA+U,P6_3/m,A5BC3D12_hP42_176_fh_a_h_2hi:Ba-Cl-Cr-O,42.0,A5BC3D12_hP42_176_fh_a_h_2hi:Ba-Cl-Cr-O +mp-1225784,Er6Mn(GeS7)2,-6.2874010113,-1.7776322288,0.0119822685,0.0119822685,GGA,P3,A6B2CD14_hP23_143_2d_ab_c_ab4d:Er-Ge-Mn-S,23.0,A6B2CD14_hP23_143_2d_ab_c_ab4d:Er-Ge-Mn-S +mp-1224946,GaAgGeS4,-4.5616138971,-0.7002597045000001,0.0187778306,0.0187778306,GGA,P1,ABCD4_aP21_1_3a_3a_3a_12a:Ag-Ga-Ge-S,21.0,ABCD4_aP21_1_3a_3a_3a_12a:Ag-Ga-Ge-S +mp-1225887,CsLiZnS2,-3.79783172,-1.3304380035,0.0,-0.0535183493,GGA,I-4m2,ABC2D_tI10_119_c_a_f_b:Cs-Li-S-Zn,5.0,ABC2D_tI10_119_c_a_f_b:Cs-Li-S-Zn +mp-1044530,PrMg(MoO3)2,-8.342836644,-2.5675748147,0.0440729739,0.0440729739,GGA+U,Pc,AB2C6D_mP20_7_a_2a_6a_a:Mg-Mo-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_mP20_7_a_4a_12a_a:Mg-Mo-O-Pr, expected PrMg(MoO3)4 to be PrMg(MoO3)2" +mp-2230300,Pr2Mg(MoO3)4,-8.5089524032,-2.5139546908,0.0733337434,0.0733337434,GGA+U,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mo-O-Pr,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mo-O-Pr +mp-1209900,Rb2Co2(MoO4)3,-7.4693304433,-1.7811768328,0.1552209838,0.1552209838,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Co-Mo-O-Rb,76.0,A2B3C12D2_cP76_198_2a_b_4b_2a:Co-Mo-O-Rb +mp-29357,Zr6CCl14,-6.2865834662,-2.1725652513,0.0,-0.1235909114,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:C-Cl-Zr,42.0,"Invalid WP multiplicities - AB14C6_oC84_64_a_d2ef2g_fg:C-Cl-Zr, expected Zr6CCl16 to be Zr6CCl14" +mp-567966,RbZr6CCl15,-6.084061299,-2.2047807232,0.0,-0.0119738684,GGA,Pmma,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-Rb-Zr,92.0,"Invalid WP multiplicities - AB15CD6_oP92_51_2af_2e2f4g4i4j4k36l_k_4f3i9l:C-Cl-Rb-Zr, expected Rb2Zr46(CCl60)3 to be RbZr6CCl15" +mp-862605,Rb4Zr6CCl18,-5.6061132845,-2.2367799934,0.0,-0.023704417,GGA,C2/m,AB18C4D6_mC58_12_a_g2i3j_j_ij:C-Cl-Rb-Zr,29.0,AB18C4D6_mC58_12_a_g2i3j_j_ij:C-Cl-Rb-Zr +mp-1112512,Cs2RbSbI6,-2.868029944,-1.2939761283,0.05557906,0.05557906,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Sb +mp-1192315,La3AlFeS7,-6.6159373167,-1.9510400314,0.042124318,0.042124318,GGA,P6_3,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-La-S,24.0,ABC3D7_hP24_173_b_a_c_b2c:Al-Fe-La-S +mp-1229020,Al8Zn3CdS16,-4.88084161,-1.2790585707,0.0105696927,0.0105696927,GGA,R3m,A8BC16D3_hR84_160_2a2b_a_4a4b_3a:Al-Cd-S-Zn,28.0,"Invalid WP multiplicities - A8BC16D3_hR84_160_2a6b_a_4a12b_3a:Al-Cd-S-Zn, expected Al20Zn3CdS40 to be Al8Zn3CdS16" +mp-1191623,Ce2Ni12As7,-5.95021899,-0.5291881660000001,0.0,-0.0037560365,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ce-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ce-Ni +mp-1079455,CeNiAsO,-6.8937483462,-1.5639901084,0.4353184551,0.4353184551,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ce-Ni-O,8.0,ABCD_tP8_129_c_c_a_b:As-Ce-Ni-O +mp-1214373,Ce6Ni20As13,-6.11625368,-0.6862586083000001,0.0,-0.0359586022,GGA,P-6,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-Ce-Ni,39.0,A13B6C20_hP39_174_a2j2k_jk_cf3j3k:As-Ce-Ni +mp-776207,CeNiO3,-8.0604770275,-2.7498186337,0.0952567235,0.0952567235,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Ce-Ni-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ce-Ni-O, expected CeNiO7 to be CeNiO3" +mp-866095,CeNiO3,-7.708842996,-2.3981846023,0.446890755,0.446890755,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Ni-O,5.0,ABC3_cP5_221_a_b_c:Ce-Ni-O +mp-1061766,CeNiAs,-6.4786530967,-1.0212050167,0.0,-0.0436294356,GGA,P-6m2,ABC_hP3_187_a_d_e:As-Ce-Ni,3.0,ABC_hP3_187_a_d_e:As-Ce-Ni +mp-610645,Ce(NiAs)2,-6.171383967,-0.809064102,0.0,-0.0344407869,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:As-Ce-Ni,10.0,"Invalid WP multiplicities - A2BC2_tP10_129_a2c_c_2b2c:As-Ce-Ni, expected CeNi4As3 to be Ce(NiAs)2" +mp-21006,Ce(NiAs)2,-6.15281614,-0.7904962750000001,0.018567827,-0.0158729599,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ce-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Ce-Ni +mp-1031089,RbCeMg6O8,-6.1029989181,-2.597448092,0.4374699689,0.4374699689,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ce-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ce-Mg-O-Rb, expected RbCeMg6O12 to be RbCeMg6O8" +mp-1031097,RbCeMg6O8,-6.0033676275,-2.4978168014,0.5371012595,0.5371012595,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ce-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ce-Mg-O-Rb, expected RbCeMg6O12 to be RbCeMg6O8" +mp-1026809,RbCeMg14,-1.6660323738,0.1663141217,0.1818106723,0.1818106723,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Rb, expected RbCeMg18 to be RbCeMg14" +mp-1026812,RbCeMg14,-1.6776280338,0.1547184617,0.1702150123,0.1702150123,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Rb, expected RbCeMg26 to be RbCeMg14" +mp-1034905,RbCeMg14O16,-6.1521326131,-2.7626150098,0.2818641704,0.2818641704,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ce-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ce-Mg-O-Rb, expected RbCeMg18O20 to be RbCeMg14O16" +mp-1034869,RbCeMg14O16,-6.1735457094,-2.784028106,0.2604510741,0.2604510741,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ce-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ce-Mg-O-Rb, expected RbCeMg30O32 to be RbCeMg14O16" +mp-1039966,RbCeMg30O32,-6.2615051442,-2.9300041522,0.1192555875,0.1192555875,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ce-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ce-Mg-O-Rb, expected RbCeMg110O72 to be RbCeMg30O32" +mp-1039951,RbCeMg30O32,-6.249857047,-2.9183560550000003,0.1309036847,0.1309036847,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ce-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ce-Mg-O-Rb, expected RbCeMg90O80 to be RbCeMg30O32" +mp-1228124,Ba6Ti5PtO18,-8.1056521853,-3.2355575238,0.0,-0.0064443626,GGA,P3m1,A6B18CD5_hP30_156_2a2b2c_6d_a_a2b2c:Ba-O-Pt-Ti,30.0,A6B18CD5_hP30_156_2a2b2c_6d_a_a2b2c:Ba-O-Pt-Ti +mp-1228478,Ba4Ti3PtO12,-7.9369298622,-3.0972411789,0.0035076338,0.0035076338,GGA,P3m1,A4B12CD3_hP60_156_4a4b4c_12d_2ab_2a3b4c:Ba-O-Pt-Ti,60.0,"Invalid WP multiplicities - A4B12CD3_hP60_156_4a4b4c_36d_2ab_2a3b4c:Ba-O-Pt-Ti, expected Ba4Ti3PtO36 to be Ba4Ti3PtO12" +mp-558894,Ba4Ti2PtO10,-7.6558237565,-3.0084764491,0.0,-0.034298024,GGA,Cmce,A4B10CD2_oC68_64_2f_e2fg_a_f:Ba-O-Pt-Ti,34.0,"Invalid WP multiplicities - A4B10CD2_oC68_64_6f_3e8f5g_a_f:Ba-O-Pt-Ti, expected Ba12Ti2PtO42 to be Ba4Ti2PtO10" +mp-18219,Dy2SiSeO4,-8.1491548459,-3.4089600919,0.0005334353,0.0005334353,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Dy-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Dy-O-Se-Si +mp-28845,OsO3F2,-6.6948462129,-1.7131142965,0.0,-0.0012905726,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:F-O-Os,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_4e_3e_e:F-O-Os, expected OsO3F4 to be OsO3F2" +mp-561449,OsOF4,-5.9087715642,-1.938776229,0.0108217638,0.0108217638,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-O-Os,24.0,"Invalid WP multiplicities - A4BC_mP24_14_12e_e_e:F-O-Os, expected OsOF12 to be OsOF4" +mp-558879,OsOF4,-5.906506546,-1.9365112108,0.0130867819,0.0130867819,GGA,P2_12_12_1,A4BC_oP48_19_8a_2a_2a:F-O-Os,48.0,"Invalid WP multiplicities - A4BC_oP48_19_29a_4a_3a:F-O-Os, expected Os3O4F29 to be OsOF4" +mp-557705,OsO2F3,-6.30872922,-1.8328655942,0.0203884816,0.0203884816,GGA,Pc,A3B2C_mP24_7_6a_4a_2a:F-O-Os,24.0,"Invalid WP multiplicities - A3B2C_mP24_7_12a_8a_3a:F-O-Os, expected Os3(O2F3)4 to be OsO2F3" +mp-559897,OsO2F3,-6.3107732883,-1.8349096625,0.0183444132,0.0183444132,GGA,P2_1/c,A3B2C_mP48_14_6e_4e_2e:F-O-Os,48.0,"Invalid WP multiplicities - A3B2C_mP48_14_23e_14e_5e:F-O-Os, expected Os5O14F23 to be OsO2F3" +mp-27337,Xe(OF)2,-2.679125636,0.0713762695,0.5414120865000001,0.5414120865000001,GGA,Cmcm,A2B2C_oC20_63_f_g_c:F-O-Xe,10.0,A2B2C_oC20_63_f_g_c:F-O-Xe +mp-559268,OsXe(O2F3)2,-4.6534038596,-1.1101396721,0.1605539642,0.1605539642,GGA,P-1,A6B4CD_aP24_2_6i_4i_i_i:F-O-Os-Xe,24.0,"Invalid WP multiplicities - A6B4CD_aP24_2_10i_6i_i_i:F-O-Os-Xe, expected OsXe(O3F5)2 to be OsXe(O2F3)2" +mp-1205001,Os2Xe(O3F5)2,-5.1212762476,-1.369390407,0.1120026555,0.1120026555,GGA,Pnma,A10B6C2D_oP76_62_4c3d_3d_d_c:F-O-Os-Xe,76.0,A10B6C2D_oP76_62_4c3d_3d_d_c:F-O-Os-Xe +mp-1197858,OsXeO3F8,-4.4117884716,-1.2275238967,0.1077163591,0.1077163591,GGA,P4_2/n,A8B3CD_tP104_86_8g_3g_g_g:F-O-Os-Xe,104.0,A8B3CD_tP104_86_8g_3g_g_g:F-O-Os-Xe +mp-562054,XeO3,-2.7632511225,0.9558089534,0.9558089534,0.9558089534,GGA,P2_12_12_1,A3B_oP16_19_3a_a:O-Xe,16.0,"Invalid WP multiplicities - A3B_oP16_19_11a_a:O-Xe, expected XeO11 to be XeO3" +mp-757594,Os(OF2)2,-5.952115039,-1.8425920787,0.0,-0.0187962301,GGA,P6_1,A4B2C_hP42_169_4a_2a_a:F-O-Os,42.0,"Invalid WP multiplicities - A4B2C_hP42_169_19a_9a_a:F-O-Os, expected OsO9F19 to be Os(OF2)2" +mp-1173465,Os(OF2)2,-5.9297038331,-1.8201808727,0.022411206,0.0036149759,GGA,P6_1,A4B2C_hP42_169_4a_2a_a:F-O-Os,42.0,"Invalid WP multiplicities - A4B2C_hP42_169_19a_9a_a:F-O-Os, expected OsO9F19 to be Os(OF2)2" +mp-675119,Os(OF)2,-6.4498817765,-1.461141219,0.2931814564,0.2931814564,GGA,P1,A2B2C_aP40_1_16a_16a_8a:F-O-Os,40.0,A2B2C_aP40_1_16a_16a_8a:F-O-Os +mp-1173322,Os(OF)2,-6.568400114,-1.5796595565,0.1746631189,0.1746631189,GGA,P-1,A2B2C_aP10_2_2i_2i_i:F-O-Os,10.0,"Invalid WP multiplicities - A2B2C_aP10_2_3i_3i_i:F-O-Os, expected Os(OF)3 to be Os(OF)2" +mp-1173360,Os(OF)2,-5.848756552,-0.8600159945,0.8943066809,0.8943066809,GGA,P-1,A2B2C_aP10_2_2i_2i_i:F-O-Os,10.0,"Invalid WP multiplicities - A2B2C_aP10_2_3i_3i_i:F-O-Os, expected Os(OF)3 to be Os(OF)2" +mp-1204135,OsXe2O3F14,-3.7179830454,-1.0729586729,0.0946791858,0.0946791858,GGA,Pnma,A14B3CD2_oP80_62_2c6d_cd_c_d:F-O-Os-Xe,80.0,A14B3CD2_oP80_62_2c6d_cd_c_d:F-O-Os-Xe +mp-555514,OsOF5,-5.6769502979,-2.0010287295,0.0004732021,-0.0420308526,GGA,Pna2_1,A5BC_oP28_33_5a_a_a:F-O-Os,28.0,"Invalid WP multiplicities - A5BC_oP28_33_17a_a_a:F-O-Os, expected OsOF17 to be OsOF5" +mp-504576,OsOF5,-5.6774235,-2.0015019316,0.0,-0.0425040548,GGA,Pnma,A5BC_oP28_62_c2d_c_c:F-O-Os,28.0,A5BC_oP28_62_c2d_c_c:F-O-Os +mp-557132,Os2O3F7,-6.124916494,-1.9019870134,0.0,-0.00134635,GGA,P2_1/c,A7B3C2_mP48_14_7e_3e_2e:F-O-Os,48.0,"Invalid WP multiplicities - A7B3C2_mP48_14_24e_10e_4e:F-O-Os, expected Os2O5F12 to be Os2O3F7" +mp-1112663,Cs2LiYI6,-3.603276729,-1.7026370466,0.0,-0.004962597,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Li-Y +mp-1112962,Cs3YI6,-3.528719847,-1.729432214,0.030864094,0.030864094,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-I-Y,10.0,A3B6C_cF40_225_ac_e_b:Cs-I-Y +mp-1205635,Cs2KPdF6,-4.468444578,-2.5134486474,0.0006634355,0.0006634355,GGA,I4/mmm,A2B6CD_tI20_139_d_eh_a_b:Cs-F-K-Pd,10.0,A2B6CD_tI20_139_d_eh_a_b:Cs-F-K-Pd +mp-1113037,Cs2KPdF6,-4.454912967,-2.4999170364,0.0141950465,0.0141950465,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pd +mp-7979,K2PdF6,-4.4847205478,-2.3881034912,0.0,-0.2505186,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Pd,9.0,A6B2C_hP9_164_i_d_a:F-K-Pd +mp-28758,KPd2F5,-4.5086050828,-1.8801604072,0.0,-0.0111142224,GGA,Pnma,A5BC2_oP32_62_c2d_c_ac:F-K-Pd,32.0,"Invalid WP multiplicities - A5BC2_oP32_62_c3d_c_ac:F-K-Pd, expected KPd2F7 to be KPd2F5" +mp-8959,CsK2PdF5,-4.515015265,-2.5312956079,0.0,-0.0068891022,GGA,P4/mbm,AB5C2D_tP18_127_b_ak_g_c:Cs-F-K-Pd,18.0,AB5C2D_tP18_127_b_ak_g_c:Cs-F-K-Pd +mp-1112304,CsK2PdF6,-4.352964894,-2.3764693059,0.145880152,0.145880152,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Pd,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Pd +mp-1111081,K3PdF6,-4.450827263,-2.4528320174,0.056283245,0.056283245,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Pd,10.0,A6B3C_cF40_225_e_ac_b:F-K-Pd +mp-28163,K2PdF4,-4.5703267586,-2.4208131051,0.0,-0.0467692829,GGA,C2/m,A4B2C_mC14_12_j_i_a:F-K-Pd,7.0,A4B2C_mC14_12_j_i_a:F-K-Pd +mp-9061,KPdF3,-4.51968138,-2.1147378481,0.034555294,0.034555294,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-K-Pd,5.0,A3BC_cP5_221_c_a_b:F-K-Pd +mp-1080828,KCuF3,-4.547111701,-2.3583031971,0.003764099,-0.025623887,GGA,P4/mbm,AB3C_tP10_127_c_dh_a:Cu-F-K,10.0,AB3C_tP10_127_c_dh_a:Cu-F-K +mp-3682,KCuF3,-4.54848816,-2.3596796561,0.00238764,-0.027000346,GGA,I4/mcm,AB3C_tI20_140_d_bh_a:Cu-F-K,10.0,AB3C_tI20_140_d_bh_a:Cu-F-K +mp-669347,KCuF3,-4.5508758,-2.3620672961,0.0,-0.029387986,GGA,I4/mcm,AB3C_tI20_140_d_bh_a:Cu-F-K,10.0,"Invalid WP multiplicities - AB3C_tI20_140_d_2b3h_a:Cu-F-K, expected KCuF8 to be KCuF3" +mp-556045,KCuF3,-4.417160947,-2.2283524431,0.133714853,0.104326867,GGA,I4/mcm,AB3C_tI20_140_d_bh_c:Cu-F-K,10.0,"Invalid WP multiplicities - AB3C_tI20_140_d_2b2h_c:Cu-F-K, expected KCuF6 to be KCuF3" +mp-5566,KCuF3,-4.548677252,-2.3598687481,0.002198548,-0.027189438,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-F-K,5.0,AB3C_cP5_221_b_c_a:Cu-F-K +mp-1212136,K3AuF12,-3.487599405,-1.6411727518,0.0678207703,0.0678207703,GGA,C2/m,AB12C3_mC32_12_a_3j_de:Au-F-K,16.0,"Invalid WP multiplicities - AB12C3_mC32_12_a_10j_ce:Au-F-K, expected K3AuF40 to be K3AuF12" +mp-8388,K2CuF4,-4.540987505,-2.5458560144,0.0002385771,-0.0156266279,GGA,Cmce,AB4C2_oC28_64_a_df_d:Cu-F-K,14.0,AB4C2_oC28_64_a_df_d:Cu-F-K +mp-1078081,K2CuF4,-4.4811279471,-2.4859964566,0.060098135,0.04423293,GGA,Cmmm,AB4C2_oC14_65_b_acg_h:Cu-F-K,7.0,AB4C2_oC14_65_b_acg_h:Cu-F-K +mp-5699,K2CuF4,-4.53381386,-2.5386823694,0.0074122221,-0.0084529829,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-F-K,7.0,"Invalid WP multiplicities - AB4C2_tI14_139_a_2c2e_e:Cu-F-K, expected K2CuF8 to be K2CuF4" +mp-560238,K2CuF4,-4.5372818029,-2.5421503123,0.0039442793,-0.0119209257,GGA,I4/mcm,AB4C2_tI56_140_ad_efgh_fg:Cu-F-K,28.0,"Invalid WP multiplicities - AB4C2_tI56_140_ad_4e4f3g4h_fg:Cu-F-K, expected K2CuF15 to be K2CuF4" +mp-2865,K2CuF4,-4.5412260821,-2.5460945916,0.0,-0.015865205,GGA,I4_1/acd,AB4C2_tI56_142_b_df_d:Cu-F-K,28.0,AB4C2_tI56_142_b_df_d:Cu-F-K +mp-1206879,K3AuF6,-4.114000601,-2.3066053364,0.112722799,0.112722799,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:Au-F-K,10.0,AB6C3_aP10_2_a_3i_bcd:Au-F-K +mp-1111498,K3AuF6,-4.102453124,-2.2950578594,0.124270276,0.124270276,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Au-F-K,10.0,AB6C3_cF40_225_a_e_bc:Au-F-K +mp-1111868,KAuF3,-3.914434608,-1.8906910381,0.1607115999999999,0.1607115999999999,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Au-F-K,5.0,AB3C_cP5_221_b_c_a:Au-F-K +mp-5309,KAuF4,-4.0799660133,-2.0749332105,0.0,-0.2065742907,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Au-F-K,12.0,AB4C_tI24_140_d_l_a:Au-F-K +mp-1112010,K2CuAuF6,-4.234322432,-2.1280463951,0.0833713925,0.0833713925,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cu-F-K +mp-12442,KAuF6,-3.8051060987,-1.8234617547,0.0,-0.2053090452,GGA,R-3m,AB6C_hR24_166_a_h_b:Au-F-K,8.0,AB6C_hR24_166_a_h_b:Au-F-K +mp-20982,K3Cu2F7,-4.5384444433,-2.4626141972,0.0068023546,0.0068023546,GGA,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Cu-F-K,12.0,A2B7C3_tI24_139_e_aeg_be:Cu-F-K +mp-754475,Tm2SeO2,-7.944806224,-3.4766142746,0.045072102,-0.0307343778,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Se-Tm,5.0,A2BC2_tI10_139_d_a_e:O-Se-Tm +mp-753920,Tm2SeO2,-7.989878326,-3.5216863766,0.0,-0.0758064798,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Se-Tm,5.0,A2BC2_hP5_164_d_a_d:O-Se-Tm +mp-27367,SeOF2,-4.8409860219,-1.7745964909,0.0,-0.0458062803,GGA,Pca2_1,A2BC_oP16_29_2a_a_a:F-O-Se,16.0,A2BC_oP16_29_2a_a_a:F-O-Se +mp-1208412,Tm2Se3O20,-5.5099031154,-0.7749759352000001,0.4733726064,0.4733726064,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Tm,50.0,A20B3C2_mC100_15_10f_ef_f:O-Se-Tm +mp-1207668,TmSeF,-6.4338585017,-3.1394498788,0.0,-0.1123259775,GGA,P6_3/mmc,ABC_hP12_194_bc_f_ad:F-Se-Tm,12.0,ABC_hP12_194_bc_f_ad:F-Se-Tm +mp-1207669,TmOF,-8.1121264208,-4.3341253868,0.0,-0.2276301428,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Tm,12.0,ABC_mP12_14_e_e_e:F-O-Tm +mp-557457,TmSeO3F,-6.9491301358,-2.8285814688,0.0,-0.0840228904,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:F-O-Se-Tm,24.0,"Invalid WP multiplicities - AB3CD_mP24_14_e_9e_e_e:F-O-Se-Tm, expected TmSeO9F to be TmSeO3F" +mp-768396,TmSeO3,-7.107140161,-2.5447775541,0.0217200936,0.0217200936,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-Se-Tm,40.0,"Invalid WP multiplicities - A3BC_mP40_14_21e_3e_3e:O-Se-Tm, expected TmSeO7 to be TmSeO3" +mp-1209033,Se(OF)2,-4.8414013792,-1.3989520122,0.0207251805,0.0207251805,GGA,P2_1/c,A2B2C_mP40_14_4e_4e_2e:F-O-Se,40.0,A2B2C_mP40_14_4e_4e_2e:F-O-Se +mp-1208982,Se(OF)2,-4.84316595,-1.400716583,0.0189606098,0.0189606098,GGA,P4_12_12,A2B2C_tP20_92_b_b_a:F-O-Se,20.0,A2B2C_tP20_92_b_b_a:F-O-Se +mp-973968,KNaO3,-3.959771542,-0.5051734672,0.6109778247000001,0.6109778247000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Na-O,5.0,ABC3_cP5_221_a_b_c:K-Na-O +mp-1211794,K2NaO2,-3.088852406,-0.401512284,0.923092599,0.923092599,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Na-O,5.0,A2BC2_tP5_123_g_a_g:K-Na-O +mp-541393,K3NaRe2O9,-7.175709697,-2.2381780366,0.0,-0.0634675305,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:K-Na-O-Re,30.0,A3BC9D2_hP30_194_bf_a_hk_f:K-Na-O-Re +mp-973471,KReO3,-7.76651601,-2.0875175568,0.037232448,0.037232448,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Re,5.0,AB3C_cP5_221_a_c_b:K-O-Re +mp-4757,KReO4,-7.91099357,-2.3540467405,0.0,-0.4723353672,GGA,I4_1/a,AB4C_tI24_88_a_f_b:K-O-Re,12.0,AB4C_tI24_88_a_f_b:K-O-Re +mp-6948,KNaO,-3.7885950433,-1.3287240594,0.0148971533,0.0148971533,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Na-O,6.0,ABC_tP6_129_c_a_c:K-Na-O +mp-1211450,KReO2,-7.0002487906,-1.138172902,0.6426319994,0.6426319994,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:K-O-Re,16.0,AB2C_tI32_141_c_h_d:K-O-Re +mp-18498,Sr3YRhO6,-7.3345601955,-2.9182518672,0.0,-0.033054118,GGA,R-3c,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Y,22.0,A6BC3D_hR66_167_f_b_e_a:O-Rh-Sr-Y +mp-1207629,YRhO3,-8.290526322,-2.5563572986,0.0,-0.0216042559,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Rh-Y,20.0,A3BC_oP20_62_cd_a_c:O-Rh-Y +mp-17275,SrY2O4,-8.6277046189,-3.7121059725,0.0041613495,0.0041613495,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:O-Sr-Y,28.0,A4BC2_oP28_62_4c_c_2c:O-Sr-Y +mp-1246449,Ba3B3N5,-7.2518845,-1.117559522,0.1120418436,0.1120418436,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:B-Ba-N,22.0,A3B3C5_aP22_2_3i_3i_5i:B-Ba-N +mp-1246468,Ba3BN3,-6.17206247,-0.8226622749,0.1385950417,0.1385950417,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:B-Ba-N,14.0,AB3C3_hP14_176_c_h_h:B-Ba-N +mp-30905,Ba3(BN2)2,-7.0071714472,-1.1780949959,0.0,-0.1617595532,GGA,P2_12_12_1,A2B3C4_oP36_19_2a_3a_4a:B-Ba-N,36.0,A2B3C4_oP36_19_2a_3a_4a:B-Ba-N +mp-1228663,Ba8Eu(BN2)6,-7.3208289037,-1.1829366428,0.0,-0.0071887204,GGA,Pm-3m,A6B8CD12_cP27_221_cd_g_a_ef:B-Ba-Eu-N,27.0,"Invalid WP multiplicities - A6B8CD12_cP27_221_2c3d_g_a_4e5f:B-Ba-Eu-N, expected Ba8Eu(B5N18)3 to be Ba8Eu(BN2)6" +mp-1019734,EuBN2,-9.6354299508,-1.2330840956,0.0017000904,0.0017000904,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Eu-N,24.0,ABC2_hR72_167_e_e_2e:B-Eu-N +mp-1111144,K2RbGaF6,-4.779669779,-3.0098395996,0.050965108,0.050965108,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Rb +mp-1111080,K3GaF6,-4.834329986,-3.0515133192,0.0,-0.0456630914,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-K,10.0,A6BC3_cF40_225_e_a_bc:F-Ga-K +mp-15408,KGaF4,-5.0165385044,-3.0524700311,0.0,-0.0552094855,GGA,Pnma,A4BC_oP48_62_2c3d_d_2c:F-Ga-K,48.0,A4BC_oP48_62_2c3d_d_2c:F-Ga-K +mp-1198971,KRb2GaF6,-4.826892735,-3.0700490431,4.7053000000000005e-05,-0.028123771,GGA,I4/m,A6BCD2_tI100_87_e5hi_ah_bh_di:F-Ga-K-Rb,50.0,A6BCD2_tI100_87_e5hi_ah_bh_di:F-Ga-K-Rb +mp-13190,KRb2GaF6,-4.826939788,-3.070096096,0.0,-0.028170824,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Rb +mp-35730,BaUO3,-9.097313798,-3.4872235813,0.0,-0.0152390167,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-O-U,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_4c4d_a:Ba-O-U, expected BaUO12 to be BaUO3" +mp-685632,Ba7U7O24,-9.1702365258,-3.6125201121,0.0442056159,0.0442056159,GGA,P1,A7B24C7_aP38_1_7a_24a_7a:Ba-O-U,38.0,A7B24C7_aP38_1_7a_24a_7a:Ba-O-U +mp-5611,BaUO4,-9.1684616412,-3.6689383421,0.0,-0.1401034026,GGA,Pbcm,AB4C_oP24_57_d_cde_a:Ba-O-U,24.0,AB4C_oP24_57_d_cde_a:Ba-O-U +mp-583034,Ba2U2O7,-9.2321888605,-3.6824078715,0.0,-0.0621943644,GGA,Imma,A2B7C2_oI44_74_ac_ehj_bd:Ba-O-U,22.0,"Invalid WP multiplicities - A2B7C2_oI44_74_ac_2e4h4j_2b2d:Ba-O-U, expected BaU2O13 to be Ba2U2O7" +mp-530905,Ba23U8O48,-7.990396413,-3.282690567,0.0299926092,0.0299926092,GGA,Fm-3m,A23B48C8_cF316_225_ad2f_2egj_ce:Ba-O-U,79.0,"Invalid WP multiplicities - A23B48C8_cF316_225_a4d6f_11e6g10j_2c2e:Ba-O-U, expected Ba73U16O378 to be Ba23U8O48" +mp-759291,Ba17U11O42,-8.6575102129,-3.4490957848,0.0164955801,0.0164955801,GGA,P-1,A17B42C11_aP70_2_a8i_21i_d5i:Ba-O-U,70.0,"Invalid WP multiplicities - A17B42C11_aP70_2_a16i_42i_d10i:Ba-O-U, expected Ba11U7O28 to be Ba17U11O42" +mp-1203939,BaU3O14,-8.1090864836,-2.2731505432,0.5556660304000001,0.5556660304000001,GGA,Pc,AB14C3_mP36_7_a_14a_3a:Ba-O-U,36.0,AB14C3_mP36_7_a_14a_3a:Ba-O-U +mp-675410,Ba2U2O3,-8.0383015614,-2.1438964138,0.3469775729,0.3469775729,GGA,Pm,A2B3C2_mP7_6_2a_2ab_2b:Ba-O-U,7.0,A2B3C2_mP7_6_2a_2ab_2b:Ba-O-U +mp-27649,BaU2O7,-9.5520521545,-3.6391905606,0.0074258583,0.0074258583,GGA,I4_1/amd,AB7C2_tI40_141_b_aef_c:Ba-O-U,20.0,AB7C2_tI40_141_b_aef_c:Ba-O-U +mp-1205845,Ba2GdUO6,-9.507937992,-3.6193765522,0.0,-0.0493935889,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-U +mp-1206273,Ba3UO6,-7.980970407,-3.3081236972,0.0229508498,0.0229508498,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Ba-O-U,10.0,A3B6C_cF40_225_ac_e_b:Ba-O-U +mp-1191498,La3BeVS7,-6.7213709908,-2.0058302143,0.0359599239,0.0359599239,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-V,24.0,AB3C7D_hP24_173_b_c_b2c_a:Be-La-S-V +mp-1211380,LaVS3,-7.1401390335,-1.8542864784,0.0283624657,0.0283624657,GGA,Pnma,AB3C_oP20_62_c_3c_c:La-S-V,20.0,AB3C_oP20_62_c_3c_c:La-S-V +mp-1201604,Cd2BO4,-5.7776015248,-1.7330406483,0.1054279635,0.1054279635,GGA,Fd-3,AB2C4_cF224_203_e_cf_eg:B-Cd-O,56.0,AB2C4_cF224_203_e_cf_eg:B-Cd-O +mp-561154,La(BO2)3,-8.6461227147,-3.1806912462,0.0156619878,0.0156619878,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:B-La-O,40.0,"Invalid WP multiplicities - A3BC6_mP40_14_8e_e_24e:B-La-O, expected La(BO3)8 to be La(BO2)3" +mp-4658,La(BO2)3,-8.657621852,-3.1921903835,0.0041628506,0.0041628506,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:B-La-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_2e2f_e_4f:B-La-O, expected La(B3O4)2 to be La(BO2)3" +mp-1211502,La5B3O13,-8.5895324064,-3.3978579263,0.0447544004,0.0447544004,GGA,P6_3/m,A3B5C13_hP42_176_h_fh_a2hi:B-La-O,42.0,A3B5C13_hP42_176_h_fh_a2hi:B-La-O +mp-30926,LaB5O9,-8.6071690935,-3.0836248028,0.0,-0.0137845967,GGA,P2_1/c,A5BC9_mP60_14_5e_e_9e:B-La-O,60.0,"Invalid WP multiplicities - A5BC9_mP60_14_6e_e_16e:B-La-O, expected La(B3O8)2 to be LaB5O9" +mp-1198909,Cd3(BO2)7,-7.393901334,-2.4448157659,0.0247818477,0.0247818477,GGA,R3c,A7B3C14_hR144_161_a2b_b_2a4b:B-Cd-O,48.0,A7B3C14_hR144_161_a2b_b_2a4b:B-Cd-O +mp-759763,La26B8O51,-8.820833406,-3.7143340746,0.0,-0.0055440945,GGA,P1,A8B26C51_aP85_1_8a_26a_51a:B-La-O,85.0,A8B26C51_aP85_1_8a_26a_51a:B-La-O +mp-1019892,La2B8O15,-8.6069175986,-3.1066184368,0.022939712,0.022939712,GGA,P2/c,A8B2C15_mP50_13_4g_g_e7g:B-La-O,50.0,A8B2C15_mP50_13_4g_g_e7g:B-La-O +mp-779571,La3B5O12,-8.6699045171,-3.2916422819,0.0674887982,0.0674887982,GGA,Pnma,A5B3C12_oP80_62_3cd_cd_6c3d:B-La-O,80.0,"Invalid WP multiplicities - A5B3C12_oP80_62_9c4d_2c3d_21c12d:B-La-O, expected La8B17O45 to be La3B5O12" +mp-752449,La2B4O9,-8.7040323503,-3.296713704,0.0081580941,0.0081580941,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-La-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_7i_3i_17i:B-La-O, expected La3B7O17 to be La2B4O9" +mp-772771,La4(B2O5)3,-8.729442604,-3.3686142155,0.0230724338,0.0230724338,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-La-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:B-La-O, expected La7B11O26 to be La4(B2O5)3" +mp-1192091,Cd3(BO3)2,-6.2559500214,-2.0916241042,0.0,-0.008823445,GGA,P-1,A2B3C6_aP22_2_2i_3i_6i:B-Cd-O,22.0,A2B3C6_aP22_2_2i_3i_6i:B-Cd-O +mp-5560,Cd3(BO3)2,-6.2542336118,-2.0899076946,0.0017164095,-0.0071070355,GGA,Pnnm,A2B3C6_oP22_58_g_af_gh:B-Cd-O,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_af_g2h:B-Cd-O, expected Cd3(BO5)2 to be Cd3(BO3)2" +mp-13603,CdB4O7,-7.8422887477,-2.6533489292,0.0,-0.0580713312,GGA,Pbca,A4BC7_oP96_61_4c_c_7c:B-Cd-O,96.0,A4BC7_oP96_61_4c_c_7c:B-Cd-O +mp-14555,LaCd(BO2)5,-8.1305270312,-2.9115421587,0.0,-0.0027344069,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Cd-La-O,68.0,"Invalid WP multiplicities - A5BCD10_mP68_14_6e_e_e_15e:B-Cd-La-O, expected LaCd(B2O5)3 to be LaCd(BO2)5" +mp-645962,La4B14O27,-8.6449827887,-3.1601803794,0.0,-0.0035082228,GGA,C2/c,A14B4C27_mC180_15_7f_2f_e13f:B-La-O,90.0,"Invalid WP multiplicities - A14B4C27_mC180_15_27f_7f_2e48f:B-La-O, expected La7B27O49 to be La4B14O27" +mp-780395,Cd(BO2)2,-7.3137157783,-2.4467974717,0.0303596227,0.0303596227,GGA,Pna2_1,A2BC4_oP84_33_6a_3a_12a:B-Cd-O,84.0,"Invalid WP multiplicities - A2BC4_oP84_33_21a_9a_45a:B-Cd-O, expected Cd3B7O15 to be Cd(BO2)2" +mp-778103,Cd(BO2)2,-7.3168086988,-2.4498903921,0.0272667023,0.0272667023,GGA,Pccn,A2BC4_oP56_56_2e_e_4e:B-Cd-O,56.0,"Invalid WP multiplicities - A2BC4_oP56_56_5e_e_13e:B-Cd-O, expected CdB5O13 to be Cd(BO2)2" +mp-780282,Cd(BO2)2,-7.249167794,-2.3822494874,0.094907607,0.094907607,GGA,R3c,A2BC4_hR126_161_2b_b_4b:B-Cd-O,42.0,"Invalid WP multiplicities - A2BC4_hR126_161_9b_b_21b:B-Cd-O, expected Cd(B3O7)3 to be Cd(BO2)2" +mp-13335,Cd(BO2)2,-7.3072357179,-2.4403174112,0.0368396832,0.0368396832,GGA,P6_3,A2BC4_hP56_173_2b2c_ac_b5c:B-Cd-O,56.0,"Invalid WP multiplicities - A2BC4_hP56_173_2b3c_ac_b6c:B-Cd-O, expected Cd4B11O19 to be Cd(BO2)2" +mp-7210,Cd2B2O5,-6.6797909389,-2.242234648,0.0,-0.0008172572,GGA,P-1,A2B2C5_aP18_2_2i_2i_5i:B-Cd-O,18.0,A2B2C5_aP18_2_2i_2i_5i:B-Cd-O +mp-755260,Cd4B6O13,-7.0574608874,-2.3585538043,0.0266771154,0.0266771154,GGA,I-43m,A6B4C13_cI46_217_d_c_ag:B-Cd-O,23.0,"Invalid WP multiplicities - A6B4C13_cI46_217_d_c_a2g:B-Cd-O, expected Cd4B6O25 to be Cd4B6O13" +mp-7492,LaBO3,-8.805830275,-3.5147372731,0.007171653,-0.0513289027,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:B-La-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_e2f:B-La-O, expected LaBO5 to be LaBO3" +mp-8216,LaBO3,-8.813001928,-3.5219089261,0.0,-0.0585005557,GGA,Pnma,ABC3_oP20_62_c_c_cd:B-La-O,20.0,ABC3_oP20_62_c_c_cd:B-La-O +mp-1196229,La13(B2O13)2,-8.7799013215,-3.6752602531,0.0,-0.0041161096,GGA,P2_1/c,A4B13C26_mP86_14_2e_a6e_13e:B-La-O,86.0,A4B13C26_mP86_14_2e_a6e_13e:B-La-O +mp-1019894,La4B10O21,-8.6707152504,-3.2301892772,0.0126719129,0.0126719129,GGA,P2_1/c,A10B4C21_mP140_14_10e_4e_21e:B-La-O,140.0,A10B4C21_mP140_14_10e_4e_21e:B-La-O +mp-1183631,CdBO3,-5.485021036,-0.9965515031,1.0214596801,1.0214596801,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Cd-O,5.0,ABC3_cP5_221_b_a_c:B-Cd-O +mp-1213527,Gd(NO5)3,-6.6641817513,-0.7017639785,0.2886340409,0.2886340409,GGA,P-1,AB3C15_aP38_2_i_3i_15i:Gd-N-O,38.0,AB3C15_aP38_2_i_3i_15i:Gd-N-O +mp-696822,LiNO3,-5.306114126,-0.2890173409,1.098865098,0.7835822370000001,GGA,C2/c,ABC3_mC20_15_a_e_ef:Li-N-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_a_e_2e3f:Li-N-O, expected LiNO8 to be LiNO3" +mp-1094130,LiNO3,-4.244329518,0.7727672671,2.160649706,1.845366845,GGA,R-3m,ABC3_hR15_166_a_b_d:Li-N-O,5.0,ABC3_hR15_166_a_b_d:Li-N-O +mp-8180,LiNO3,-6.404979224,-1.3878824389,0.0,-0.315282861,GGA,R-3c,ABC3_hR30_167_b_a_e:Li-N-O,10.0,ABC3_hR30_167_b_a_e:Li-N-O +mp-1212476,Li3Gd(NO3)6,-7.0945927752,-1.4209407326,0.0,-0.0053764843,GGA,P2_1/c,AB3C6D18_mP112_14_e_3e_6e_18e:Gd-Li-N-O,112.0,AB3C6D18_mP112_14_e_3e_6e_18e:Gd-Li-N-O +mp-1211669,Li(NO)6,-6.43154467,-0.1540043097,0.6176487579000001,0.6176487579000001,GGA,C2/m,AB6C6_mC26_12_a_ij_ij:Li-N-O,13.0,"Invalid WP multiplicities - AB6C6_mC26_12_a_ij_2i3j:Li-N-O, expected Li(N3O8)2 to be Li(NO)6" +mp-1212277,Li(NO)6,-6.5603380319,-0.2827976716,0.488855396,0.488855396,GGA,C2/c,AB6C6_mC52_15_c_3f_3f:Li-N-O,26.0,"Invalid WP multiplicities - AB6C6_mC52_15_a_10f_10f:Li-N-O, expected Li(NO)20 to be Li(NO)6" +mp-1204579,NO3,-6.3591242795,-0.5649840148,0.0,-0.0314889394,GGA,P2_1/c,AB3_mP64_14_4e_12e:N-O,64.0,AB3_mP64_14_4e_12e:N-O +mp-1180473,N2O,-7.2941864933,-0.0876269729,0.2559372142,0.2559372142,GGA,Pnma,A2B_oP12_62_2c_c:N-O,12.0,A2B_oP12_62_2c_c:N-O +mp-1180215,N2O,-6.4220268011,0.7845327193,1.1280969064,1.1280969064,GGA,P3_121,A2B_hP9_152_c_a:N-O,9.0,A2B_hP9_152_c_a:N-O +mp-1221446,N2O,-7.3947820717,-0.1882225512,0.1553416358,0.1553416358,GGA,P2_13,A2B_cP12_198_2a_a:N-O,12.0,A2B_cP12_198_2a_a:N-O +mp-7139,N2O,-5.8849588642,1.3216006562,1.6651648433,1.6651648433,GGA,Pa-3,A2B_cP12_205_c_a:N-O,12.0,A2B_cP12_205_c_a:N-O +mp-1180808,N4O9,-6.1116204431,-0.1219144353,0.5276310591,0.5276310591,GGA,P2_1,A4B9_mP26_4_4a_9a:N-O,26.0,"Invalid WP multiplicities - A4B9_mP26_4_6a_17a:N-O, expected N6O17 to be N4O9" +mp-1077223,Li4NO,-4.58731991,-1.1008407262,0.1540140179,0.1540140179,GGA,P4/mmm,A4BC_tP6_123_i_a_d:Li-N-O,6.0,A4BC_tP6_123_i_a_d:Li-N-O +mp-1020032,Li8N3O,-4.4155210942,-0.6465580592,0.204713051,0.204713051,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:Li-N-O,12.0,A8B3C_cP12_221_g_c_a:Li-N-O +mp-1176591,LiNO2,-6.273845755,-1.2391469515,0.1110681795,0.1110681795,GGA,Imm2,ABC2_oI8_44_a_a_c:Li-N-O,4.0,ABC2_oI8_44_a_a_c:Li-N-O +mp-1180345,NO4,-5.685326148,-0.060676194,0.3913110179,0.3913110179,GGA,Pna2_1,AB4_oP20_33_a_4a:N-O,20.0,AB4_oP20_33_a_4a:N-O +mp-734416,NO6,-5.2706759357,0.1602708061,0.4831188146,0.4831188146,GGA,P2_12_12_1,AB6_oP28_19_a_6a:N-O,28.0,AB6_oP28_19_a_6a:N-O +mp-1180438,NO6,-5.3856561754,0.0452905664,0.3681385749,0.3681385749,GGA,P2_12_12_1,AB6_oP28_19_a_6a:N-O,28.0,AB6_oP28_19_a_6a:N-O +mp-504769,N2O5,-6.52491343,-0.6097086577,0.0076229397,0.0076229397,GGA,P6_3/mmc,A2B5_hP14_194_bc_fh:N-O,14.0,"Invalid WP multiplicities - A2B5_hP14_194_2b2c_3f3h:N-O, expected N4O15 to be N2O5" +mp-31000,NO,-6.612148455,0.0294433631,0.5447896437,0.5447896437,GGA,P2_1/c,AB_mP8_14_e_e:N-O,8.0,AB_mP8_14_e_e:N-O +mp-1079684,NO,-6.1910776062,0.4505142119,0.9658604925,0.9658604925,GGA,C2/c,AB_mC16_15_2e_f:N-O,8.0,AB_mC16_15_2e_f:N-O +mp-1180220,NO,-6.61282162,0.0287701981,0.5441164787,0.5441164787,GGA,P2_12_12_1,AB_oP8_19_a_a:N-O,8.0,AB_oP8_19_a_a:N-O +mp-1180282,NO,-6.6043871,0.0372047181,0.5525509988,0.5525509988,GGA,P2_12_12_1,AB_oP8_19_a_a:N-O,8.0,AB_oP8_19_a_a:N-O +mp-1180334,NO,-6.5357102962,0.1058815219,0.6212278025,0.6212278025,GGA,P2_12_12_1,AB_oP8_19_a_a:N-O,8.0,AB_oP8_62_c_c:N-O +mp-1771,NO2,-6.7627804767,-0.6861563608,0.0009720133,-0.117094947,GGA,P2_1/c,AB2_mP12_14_e_2e:N-O,12.0,AB2_mP12_14_e_2e:N-O +mp-1180500,NO2,-6.0611084025,0.0155157133,0.7026440875000001,0.5845771272,GGA,P2_1/c,AB2_mP12_14_e_2e:N-O,12.0,AB2_mP12_14_e_2e:N-O +mp-726866,NO2,-4.3295473967,1.7470767192,2.4342050933,2.316138133,GGA,P2_1/c,AB2_mP12_14_e_2e:N-O,12.0,AB2_mP12_14_e_2e:N-O +mp-608071,NO2,-6.5844139667,-0.5077898508,0.1793385233,0.061271563,GGA,I2_13,AB2_cI36_199_b_c:N-O,18.0,AB2_cI36_199_b_c:N-O +mp-2789,NO2,-6.76375249,-0.6871283742000001,0.0,-0.1180669603,GGA,Im-3,AB2_cI36_204_d_g:N-O,18.0,AB2_cI36_204_d_g:N-O +mp-557865,NO2,-6.7442462789,-0.6676221631,0.0195062111,-0.0985607492,GGA,Im-3,AB2_cI36_204_e_g:N-O,18.0,AB2_cI36_204_e_g:N-O +mp-616407,N2O3,-6.7482150145,-0.4456038177,0.172811719,0.172811719,GGA,P2_12_12_1,A2B3_oP20_19_2a_3a:N-O,20.0,"Invalid WP multiplicities - A2B3_oP20_19_4a_10a:N-O, expected N2O5 to be N2O3" +mp-726720,N2O3,-5.717694722,0.5849164747,1.2033320115,1.2033320115,GGA,Pmmn,A2B3_oP10_59_ab_ae:N-O,10.0,A2B3_oP10_59_ab_ae:N-O +mp-734030,N2O3,-5.7042212545,0.5983899423,1.216805479,1.216805479,GGA,Pnma,A2B3_oP20_62_2c_cd:N-O,20.0,A2B3_oP20_62_2c_cd:N-O +mp-726073,N2O3,-5.6969022195,0.6057089772,1.224124514,1.224124514,GGA,Pnma,A2B3_oP20_62_2c_cd:N-O,20.0,A2B3_oP20_62_2c_cd:N-O +mp-1203247,Gd(NO3)3,-7.8787205988,-1.4475047976,0.0,-0.1996263596,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Gd-N-O,52.0,AB3C9_mP52_14_e_3e_9e:Gd-N-O +mp-1181339,GdNO5,-8.2820970079,-1.5469454763,0.2767896766,0.2767896766,GGA,P2_1,ABC5_mP14_4_a_a_5a:Gd-N-O,14.0,ABC5_mP14_4_a_a_5a:Gd-N-O +mp-1020020,Li8NO3,-4.7537357908,-1.5497404582,0.1086979198,0.1086979198,GGA,Pm-3m,A8BC3_cP12_221_g_a_c:Li-N-O,12.0,A8BC3_cP12_221_g_a_c:Li-N-O +mp-23896,LuHCl,-4.83654806,-1.582476985,0.0,-0.0035865406,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-H-Lu,6.0,ABC_hR18_166_c_c_c:Cl-H-Lu +mp-1197694,H16Cl2O15,-5.0390124522,-1.0335269762,0.0035604309,0.0035604309,GGA,Pbca,A2B16C15_oP264_61_2c_16c_15c:Cl-H-O,264.0,A2B16C15_oP264_61_2c_16c_15c:Cl-H-O +mp-757220,LuH6(ClO5)3,-5.2877121678,-1.1027822703,0.0,-0.0158144975,GGA,P-1,A3B6CD15_aP50_2_3i_6i_i_15i:Cl-H-Lu-O,50.0,"Invalid WP multiplicities - A3B6CD15_aP50_2_5i_11i_i_29i:Cl-H-Lu-O, expected LuH11Cl5O29 to be LuH6(ClO5)3" +mp-625172,H3ClO5,-4.8518446358,-0.7673825968,0.0544375231,0.0435352242,GGA,Pm,AB3C5_mP36_6_2a2b_4a6bc_6a6b4c:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_mP36_6_2a2b_4a6bc_6a6b8c:Cl-H-O, expected H3ClO7 to be H3ClO5" +mp-27694,H3ClO5,-4.9062821589,-0.8218201199,0.0,-0.0109022989,GGA,P2_1/c,AB3C5_mP36_14_e_3e_5e:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_mP36_14_e_4e_8e:Cl-H-O, expected H4ClO8 to be H3ClO5" +mp-625175,H3ClO5,-4.90190705,-0.817445011,0.0043751089,-0.00652719,GGA,Pna2_1,AB3C5_oP36_33_a_3a_5a:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_33_a_9a_10a:Cl-H-O, expected H9ClO10 to be H3ClO5" +mp-626136,H3ClO5,-4.8397451492,-0.7552831101,0.0665370097,0.0556347108,GGA,Pnma,AB3C5_oP36_62_c_3c_3cd:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_8c_3cd:Cl-H-O, expected H8ClO5 to be H3ClO5" +mp-706642,H3ClO5,-4.8035495475,-0.7190875085,0.1027326114,0.0918303125,GGA,Pnma,AB3C5_oP36_62_c_cd_3cd:Cl-H-O,36.0,AB3C5_oP36_62_c_cd_3cd:Cl-H-O +mp-625148,H3ClO5,-4.8621906442,-0.7777286051000001,0.0440915147,0.0331892158,GGA,Pnma,AB3C5_oP36_62_c_3c_3cd:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_8c_3cd:Cl-H-O, expected H8ClO5 to be H3ClO5" +mp-625159,H3ClO5,-4.8489284997,-0.7644664607,0.0573536592,0.0464513603,GGA,Pnma,AB3C5_oP36_62_c_cd_3cd:Cl-H-O,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_3c4d_3cd:Cl-H-O, expected H11ClO5 to be H3ClO5" +mp-24381,H5ClO2,-4.7755530956,-1.1873600572,0.0096369172,0.0096369172,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Cl-H-O,32.0,AB5C2_mP32_14_e_5e_2e:Cl-H-O +mp-720861,H13ClO6,-5.0155709066,-1.233865531,0.0147993485,0.0147993485,GGA,Pbcm,AB13C6_oP80_57_c_d6e_2d2e:Cl-H-O,80.0,AB13C6_oP80_57_c_d6e_2d2e:Cl-H-O +mp-34078,H3ClO,-4.538108738,-1.1434280367,0.0,-0.0302499003,GGA,R3m,AB3C_hR15_160_a_b_a:Cl-H-O,5.0,AB3C_hR15_160_a_b_a:Cl-H-O +mp-558867,H7ClO7,-5.0275534093,-1.0125907457,0.0,-0.0044685923,GGA,Pbca,AB7C7_oP120_61_c_7c_7c:Cl-H-O,120.0,"Invalid WP multiplicities - AB7C7_oP120_61_c_48c_48c:Cl-H-O, expected H48ClO48 to be H7ClO7" +mp-676145,Lu(HO)3,-6.42842129,-2.2085363202,0.0933669904,0.0887990217,GGA,P1,A3BC3_aP28_1_12a_4a_12a:H-Lu-O,28.0,A3BC3_aP28_1_12a_4a_12a:H-Lu-O +mp-781622,Lu(HO)3,-6.4875827127,-2.2676977429000003,0.0342055677,0.029637599,GGA,P2_1/c,A3BC3_mP56_14_6e_2e_6e:H-Lu-O,56.0,"Invalid WP multiplicities - A3BC3_mP56_14_23e_5e_23e:H-Lu-O, expected Lu5(HO)23 to be Lu(HO)3" +mp-756273,Lu(HO)3,-6.4638965254,-2.2440115555,0.057891755,0.0533237863,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:H-Lu-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:H-Lu-O, expected Lu(HO)9 to be Lu(HO)3" +mp-625392,Lu(HO)3,-6.5208935493,-2.3010085795,0.0008947311,-0.0036732376,GGA,R-3,A3BC3_hR84_148_2f_ae_2f:H-Lu-O,28.0,"Invalid WP multiplicities - A3BC3_hR84_148_4f_a2e_4f:H-Lu-O, expected Lu7(HO)24 to be Lu(HO)3" +mp-625468,Lu(HO)3,-6.5217882804,-2.3019033105,0.0,-0.0045679687,GGA,R-3,A3BC3_hR84_148_2f_ae_2f:H-Lu-O,28.0,"Invalid WP multiplicities - A3BC3_hR84_148_4f_a2e_4f:H-Lu-O, expected Lu7(HO)24 to be Lu(HO)3" +mp-755902,Lu(HO)3,-6.4686963443,-2.2488113745,0.0530919361,0.0485239674,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:H-Lu-O,14.0,A3BC3_hP14_176_h_c_h:H-Lu-O +mp-706301,HClO4,-4.7146517117,-0.5433154533,0.0193830928,0.0193830928,GGA,Pca2_1,ABC4_oP96_29_4a_4a_16a:Cl-H-O,96.0,ABC4_oP96_29_4a_4a_16a:Cl-H-O +mp-23939,H2O2,-5.0218894225,-0.8521820444,0.1093584709,0.1093584709,GGA,P4_12_12,AB_tP16_92_b_b:H-O,16.0,AB_tP16_92_b_b:H-O +mp-28015,H2O2,-5.0455293406,-0.8758219625,0.0857185528,0.0857185528,GGA,P4_12_12,AB_tP16_92_b_b:H-O,16.0,AB_tP16_92_b_b:H-O +mp-32854,H11O8,-5.0856785816,-1.0386524666,0.0747102354,0.0747102354,GGA,P1,A11B8_aP19_1_11a_8a:H-O,19.0,A11B8_aP19_1_11a_8a:H-O +mp-625171,H7ClO3,-4.8464142582,-1.1702610665,0.051085425,0.0487811432,GGA,P1,AB7C3_aP22_1_2a_14a_6a:Cl-H-O,22.0,AB7C3_aP22_1_2a_14a_6a:Cl-H-O +mp-625145,H7ClO3,-4.8541501145,-1.1779969228,0.0433495686,0.0410452868,GGA,Cc,AB7C3_mC44_9_a_7a_3a:Cl-H-O,22.0,"Invalid WP multiplicities - AB7C3_mC44_9_a_14a_3a:Cl-H-O, expected H14ClO3 to be H7ClO3" +mp-625151,H7ClO3,-4.8974996832,-1.2213464915,0.0,-0.0023042818,GGA,Cc,AB7C3_mC44_9_a_7a_3a:Cl-H-O,22.0,"Invalid WP multiplicities - AB7C3_mC44_9_a_13a_3a:Cl-H-O, expected H13ClO3 to be H7ClO3" +mp-720382,H12Cl2O13,-5.0026558843,-0.9761099914,0.00468565,0.00468565,GGA,P2_1/c,A2B12C13_mP108_14_2e_12e_13e:Cl-H-O,108.0,A2B12C13_mP108_14_2e_12e_13e:Cl-H-O +mp-1212478,H3O2,-5.1259669895,-1.111655878,0.0421927404,0.0421927404,GGA,C2/c,A3B2_mC40_15_3f_2f:H-O,20.0,A3B2_mC40_15_3f_2f:H-O +mp-696717,H7O4,-4.4373892491,-0.4795858709,0.7441929668,0.7441929668,GGA,Ibam,A7B4_oI44_72_cefg_k:H-O,22.0,A7B4_oI44_72_cefg_k:H-O +mp-625367,LuHO2,-7.5047035962,-3.0529400994,0.008520882,0.008520882,GGA,P2_1,ABC2_mP8_4_a_a_2a:H-Lu-O,8.0,ABC2_mP8_4_a_a_2a:H-Lu-O +mp-1176505,LuHO2,-7.4999810831,-3.0482175862,0.0132433951,0.0132433951,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:H-Lu-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_3e:H-Lu-O, expected LuHO3 to be LuHO2" +mp-753947,LuHO2,-7.501688025,-3.0499245281,0.0115364532,0.0115364532,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:H-Lu-O,8.0,"Invalid WP multiplicities - ABC2_oP8_31_a_a_4a:H-Lu-O, expected LuHO4 to be LuHO2" +mp-1095529,LuH2ClO2,-6.274198645,-2.4328125296,0.0007875437,-0.0518325508,GGA,P2_1/m,AB2CD2_mP12_11_e_2e_e_2e:Cl-H-Lu-O,12.0,AB2CD2_mP12_11_e_2e_e_2e:Cl-H-Lu-O +mp-976349,LuH2ClO2,-6.2749861887,-2.4336000733,0.0,-0.0526200946,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_2c:Cl-H-Lu-O,24.0,"Invalid WP multiplicities - AB2CD2_oP24_62_c_5c_c_5c:Cl-H-Lu-O, expected LuH5ClO5 to be LuH2ClO2" +mp-684678,H2O,-4.7452658386,-0.8345522382,0.4475017823,0.0918276602,GGA,P1,A2B_aP42_1_28a_14a:H-O,42.0,A2B_aP42_1_28a_14a:H-O +mp-1181087,H2O,-4.8825902872,-0.9718766868,0.3101773336,-0.0454967885,GGA,P-1,A2B_aP36_2_12i_6i:H-O,36.0,A2B_aP36_2_24i_12i:H-O +mp-1182019,H2O,-5.1078671147,-1.1971535143,0.0849005061,-0.270773616,GGA,P-1,A2B_aP36_2_12i_6i:H-O,36.0,A2B_aP36_2_24i_12i:H-O +mp-24043,H2O,-5.1679678997,-1.2572542993,0.0247997211,-0.330874401,GGA,R-3,A2B_hR108_148_4f_2f:H-O,36.0,A2B_hR108_148_4f_2f:H-O +mp-557082,H2O,-5.1584074489,-1.2476938485,0.0343601719,-0.3213139501,GGA,P2_1,A2B_mP36_4_12a_6a:H-O,36.0,"Invalid WP multiplicities - A2B_mP36_4_24a_10a:H-O, expected H12O5 to be H2O" +mp-684704,H2O,-5.1091267808,-1.1984131804,0.08364084,-0.2720332821,GGA,Cc,A2B_mC24_9_4a_2a:H-O,12.0,A2B_mC24_9_8a_4a:H-O +mp-558226,H2O,-5.1595441222,-1.2488305218,0.0332234986,-0.3224506235,GGA,P2_12_12_1,A2B_oP36_19_6a_3a:H-O,36.0,"Invalid WP multiplicities - A2B_oP36_19_23a_10a:H-O, expected H23O10 to be H2O" +mp-558958,H2O,-5.1585486906,-1.2478350901,0.0342189303,-0.3214551918,GGA,P2_12_12_1,A2B_oP36_19_6a_3a:H-O,36.0,A2B_oP36_19_20a_10a:H-O +mp-634812,H2O,-5.1248067917,-1.2140931912,0.0679608292,-0.2877132929,GGA,C222_1,A2B_oC24_20_abc_c:H-O,12.0,A2B_oC24_20_abc_c:H-O +mp-697111,H2O,-5.1927676208,-1.2820540204,0.0,-0.3556741221,GGA,Cmc2_1,A2B_oC24_36_2ab_2a:H-O,12.0,A2B_oC24_36_2ab_2a:H-O +mp-673658,H2O,-5.0903159275,-1.1796023271,0.1024516933,-0.2532224288,GGA,Cmc2_1,A2B_oC24_36_2ab_2a:H-O,12.0,"Invalid WP multiplicities - A2B_oC24_36_3a2b_4a:H-O, expected H7O4 to be H2O" +mp-990441,H2O,-4.2449081429,-0.3341945425,0.9478594779,0.5921853558,GGA,Ibam,A2B_oI48_72_adefg_k:H-O,24.0,A2B_oI48_72_adefg_k:H-O +mp-696735,H2O,-5.1735868514,-1.262873251,0.0191807694,-0.3364933526,GGA,P4_12_12,A2B_tP36_92_3b_ab:H-O,36.0,A2B_tP36_92_3b_ab:H-O +mp-32959,H2O,-5.12528114,-1.2145675396,0.0674864808,-0.2881876413,GGA,P4_2nm,A2B_tP6_102_c_a:H-O,6.0,A2B_tP6_102_c_a:H-O +mp-697085,H2O,-5.1284706808,-1.2177570804,0.06429694,-0.2913771821,GGA,I4_1/amd,A2B_tI24_141_h_e:H-O,12.0,A2B_tI24_141_h_e:H-O +mp-703459,H2O,-5.1918211308,-1.2811075304,0.00094649,-0.3547276321,GGA,P6_3cm,A2B_hP36_185_2cd_2c:H-O,36.0,A2B_hP36_185_2cd_2c:H-O +mp-626299,H5ClO6,-4.928574171,-0.8875492417,0.0535025194,0.0535025194,GGA,P1,AB5C6_aP48_1_4a_20a_24a:Cl-H-O,48.0,AB5C6_aP48_1_4a_20a_24a:Cl-H-O +mp-1181533,H5ClO6,-4.954390834,-0.9133659046,0.0276858565,0.0276858565,GGA,P1,AB5C6_aP48_1_4a_20a_24a:Cl-H-O,48.0,AB5C6_aP48_1_4a_20a_24a:Cl-H-O +mp-626201,H5ClO6,-4.9787779625,-0.9377530331,0.0032987279,0.0032987279,GGA,P2_12_12_1,AB5C6_oP48_19_a_5a_6a:Cl-H-O,48.0,"Invalid WP multiplicities - AB5C6_oP48_19_a_18a_6a:Cl-H-O, expected H18ClO6 to be H5ClO6" +mp-626219,H5ClO6,-4.9506313058,-0.9096063765,0.0314453846,0.0314453846,GGA,P2_12_12_1,AB5C6_oP48_19_a_5a_6a:Cl-H-O,48.0,"Invalid WP multiplicities - AB5C6_oP48_19_a_18a_6a:Cl-H-O, expected H18ClO6 to be H5ClO6" +mp-626222,H5ClO6,-4.9297086971,-0.8886837677,0.0523679933,0.0523679933,GGA,Pnma,AB5C6_oP48_62_c_a2d_2c2d:Cl-H-O,48.0,"Invalid WP multiplicities - AB5C6_oP48_62_c_3a13d_2c2d:Cl-H-O, expected H29ClO6 to be H5ClO6" +mp-1212635,H5ClO4,-4.1678094987,-0.3079173257,0.7384110999,0.7384110999,GGA,Pna2_1,AB5C4_oP40_33_a_5a_4a:Cl-H-O,40.0,AB5C4_oP40_33_a_5a_4a:Cl-H-O +mp-1022044,Mg6CoW,-3.3423570231,0.3661590175,0.380217356,0.380217356,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-W, expected Mg12CoW to be Mg6CoW" +mp-1022059,Mg6CoW,-3.4082136856,0.300302355,0.3143606935,0.3143606935,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-W, expected Mg12CoW to be Mg6CoW" +mp-1246602,Mg2CoW3S8,-6.8284857686,-0.9517095171,0.2694295596,0.2694295596,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Co-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_160_a_2a_2a3b_b:Co-Mg-S-W, expected Mg2CoW3S11 to be Mg2CoW3S8" +mp-1246732,MgCoWS4,-6.268339365,-0.8094068589000001,0.3699012022,0.3699012022,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Co-Mg-S-W, expected MgCoWS12 to be MgCoWS4" +mp-1247142,Mg2Co3WS8,-5.8853043793,-0.8442156186,0.2452351861,0.2452351861,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Mg-S-W, expected Mg2Co3WS22 to be Mg2Co3WS8" +mp-1247073,Mg(WS2)2,-6.9716134271,-0.6769934304,0.5441456464000001,0.5441456464000001,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-W,14.0,AB4C2_cF56_227_a_e_d:Mg-S-W +mp-1028398,Mg14CoW,-2.4581818237,0.1962162216,0.2032453908,0.2032453908,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-W, expected Mg18CoW to be Mg14CoW" +mp-1028395,Mg14CoW,-2.4472054775,0.2071925678,0.2142217371,0.2142217371,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-W, expected Mg26CoW to be Mg14CoW" +mp-1192897,Ce3AlZnS7,-6.180942995,-1.8676316639,0.0557563796,0.0557563796,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-Zn,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-Zn +mp-3286,Ce(AlZn)2,-3.571563486,-0.382817879,0.0,-0.037336209,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ce-Zn,5.0,A2BC2_tI10_139_d_a_e:Al-Ce-Zn +mp-28575,W(S4Cl3)2,-4.7241723323,-0.914775724,0.0,-0.060253236,GGA,P-1,A6B8C_aP30_2_6i_8i_i:Cl-S-W,30.0,A6B8C_aP30_2_6i_8i_i:Cl-S-W +mp-29051,WS9Cl4,-4.9567975963,-0.8439171912000001,0.0,-0.1080794999,GGA,P-42_1c,A4B9C_tP112_114_4e_9e_e:Cl-S-W,112.0,A4B9C_tP112_114_4e_9e_e:Cl-S-W +mp-29557,CuW3Cl7,-6.1584794199,-1.0754472399,0.0,-0.0022190323,GGA,Pn-3,A7BC3_cP88_201_e2h_e_h:Cl-Cu-W,88.0,A7BC3_cP88_201_e2h_e_h:Cl-Cu-W +mp-8976,Cu2WS4,-6.1322943529,-0.7462453475,0.0027346052,0.0027346052,GGA,P-42m,A2B4C_tP7_111_e_n_a:Cu-S-W,7.0,A2B4C_tP7_111_e_n_a:Cu-S-W +mp-557373,Cu2WS4,-6.1289404871,-0.7428914818,0.006088471,0.006088471,GGA,I-42m,A2B4C_tI14_121_c_i_a:Cu-S-W,7.0,A2B4C_tI14_121_c_i_a:Cu-S-W +mp-1181548,Cu4W(SCl)4,-4.5848678015,-0.4852598771,0.3411800174,0.3411800174,GGA,C2/m,A4B4C4D_mC52_12_2j_gij_2ij_ac:Cl-Cu-S-W,26.0,"Invalid WP multiplicities - A4B4C4D_mC52_12_6j_2gi2j_3i2j_ac:Cl-Cu-S-W, expected Cu7WS7Cl12 to be Cu4W(SCl)4" +mp-672345,Cu4W(SCl)4,-4.5714806077,-0.4718726833,0.3545672113,0.3545672113,GGA,I4/mmm,A4B4C4D_tI52_139_k_hi_n_ab:Cl-Cu-S-W,26.0,"Invalid WP multiplicities - A4B4C4D_tI52_139_k_2h2i_n_ab:Cl-Cu-S-W, expected Cu8W(SCl)4 to be Cu4W(SCl)4" +mp-756473,WSCl4,-5.3713159608,-1.2898615047,0.0036594126,0.0036594126,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-S-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:Cl-S-W, expected WSCl7 to be WSCl4" +mp-979414,WSCl4,-5.3706941967,-1.2892397405,0.0042811768,0.0042811768,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-S-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:Cl-S-W, expected WSCl7 to be WSCl4" +mp-1205307,WSCl4,-5.3692569783,-1.2878025222,0.0057183951,0.0057183951,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-S-W,12.0,A4BC_aP12_2_4i_i_i:Cl-S-W +mp-2422943,WSCl4,-5.3742212217,-1.2927667655,0.0007541518,0.0007541518,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-S-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:Cl-S-W, expected WSCl7 to be WSCl4" +mp-572970,WSCl4,-5.3738487235,-1.2923942674,0.0011266499,0.0011266499,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:Cl-S-W,48.0,"Invalid WP multiplicities - A4BC_mP48_14_30e_7e_6e:Cl-S-W, expected W6S7Cl30 to be WSCl4" +mp-865424,CsUO3,-8.625488812,-3.2201131088,0.021469604,0.021469604,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-U,5.0,AB3C_cP5_221_a_c_b:Cs-O-U +mp-4393,Cs4U5O17,-8.884732534,-3.3411799329000003,0.0,-0.011557214,GGA,Pbcn,A4B17C5_oP104_60_2d_c8d_c2d:Cs-O-U,104.0,"Invalid WP multiplicities - A4B17C5_oP104_60_2d_c12d_c2d:Cs-O-U, expected Cs4U5O25 to be Cs4U5O17" +mp-530749,U7(Te12O35)2,-7.008319404,-2.0504241436,0.0268583606,0.0268583606,GGA,R-3,A70B24C7_hR303_148_2c11f_4f_ade:O-Te-U,101.0,"Invalid WP multiplicities - A70B24C7_hR303_148_4c60f_19f_a2d3e:O-Te-U, expected U8Te57O184 to be U7(Te12O35)2" +mp-1183901,Cs2U2O5,-8.3970823944,-2.94074147,0.1105686269,0.1105686269,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Cs-O-U,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Cs-O-U, expected Cs2U2O9 to be Cs2U2O5" +mp-1226208,Cs2U2O7,-8.6374653355,-3.2737884497,0.0042868482,-7.244740000000001e-05,GGA,C2,A2B7C2_mC22_5_c_a3c_c:Cs-O-U,11.0,A2B7C2_mC22_5_c_a3c_c:Cs-O-U +mp-548479,Cs2U2O7,-8.6417521836,-3.2780752979,0.0,-0.0043592956,GGA,C2/m,A2B7C2_mC22_12_i_a3i_i:Cs-O-U,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_a6i_i:Cs-O-U, expected Cs2U2O13 to be Cs2U2O7" +mp-28939,U4Te3O4,-9.2605311855,-2.4985027705,0.0,-0.0122767509,GGA,I4/mmm,A4B3C4_tI22_139_g_ae_2e:O-Te-U,11.0,A4B3C4_tI22_139_g_ae_2e:O-Te-U +mp-1206210,U2Te2O,-7.416005392,-0.6527812884,1.0956794905,1.0956794905,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:O-Te-U,5.0,AB2C2_tP5_123_a_g_g:O-Te-U +mp-2991,Cs2UO4,-7.7187027743,-3.0231356887,0.0,-0.1927077886,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-O-U,7.0,A2B4C_tI14_139_e_ce_a:Cs-O-U +mp-7322,CsU2O6,-9.4159662306,-3.5094823795,0.0,-0.0606917786,GGA,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-O-U,18.0,AB6C2_cF72_227_a_f_d:Cs-O-U +mp-562572,CsU2O6,-9.4011748615,-3.4946910105,0.014791369,-0.0459004096,GGA,R-3,AB6C2_hR216_148_cf_8f_ae2f:Cs-O-U,72.0,"Invalid WP multiplicities - AB6C2_hR216_148_2c3f_43f_a3e9f:Cs-O-U, expected Cs11U32O129 to be CsU2O6" +mp-12625,U2TeO2,-9.713529486,-2.5896288188,0.0,-0.0052424013,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Te-U,5.0,A2BC2_tI10_139_d_a_e:O-Te-U +mp-3037,UTeO,-8.860525225,-2.4000570201,0.0,-0.0449150167,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-Te-U,6.0,ABC_tP6_129_a_c_c:O-Te-U +mp-554219,U(TeO3)3,-7.1586876094,-2.1401086793,0.0070060701,0.0070060701,GGA,Pa-3,A9B3C_cP104_205_3c2d_d_ab:O-Te-U,104.0,"Invalid WP multiplicities - A9B3C_cP104_205_22c29d_d_2a3b:O-Te-U, expected U5(Te3O109)2 to be U(TeO3)3" +mp-562366,Cs2U3(TeO7)2,-8.16800869,-2.8725187606,0.0,-0.0327610812,GGA,P-1,A2B14C2D3_aP21_2_i_7i_i_ai:Cs-O-Te-U,21.0,"Invalid WP multiplicities - A2B14C2D3_aP21_2_i_14i_i_a2i:Cs-O-Te-U, expected Cs2U5(TeO14)2 to be Cs2U3(TeO7)2" +mp-1201899,UTe3O8,-7.0121844455,-1.9876146639,0.151482459,0.151482459,GGA,Pa-3,A8B3C_cP96_205_2c2d_d_ab:O-Te-U,96.0,A8B3C_cP96_205_2c2d_d_ab:O-Te-U +mp-1193709,UTeO5,-8.3002631854,-2.704811834,0.000786262,0.000786262,GGA,Pca2_1,A5BC_oP28_29_5a_a_a:O-Te-U,28.0,A5BC_oP28_29_5a_a_a:O-Te-U +mp-3516,UTeO5,-8.3006970289,-2.7052456776,0.0003524184,0.0003524184,GGA,Pbcm,A5BC_oP28_57_3de_c_d:O-Te-U,28.0,A5BC_oP28_57_3de_c_d:O-Te-U +mp-541126,Gd2WO6,-9.8675610406,-2.0019491542,1.2585625325,1.2108950026,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Gd-O-W,36.0,A2B6C_mC72_15_2ef_6f_f:Gd-O-W +mp-565757,Gd2WO6,-11.1261235731,-3.2605116867,0.0,-0.0476675299,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Gd-O-W,36.0,A2B6C_oP36_19_2a_6a_a:Gd-O-W +mp-770907,Gd2W2O9,-10.4601534146,-2.8764070038,0.0552748799,0.0552748799,GGA+U,P-1,A2B9C2_aP26_2_2i_9i_2i:Gd-O-W,26.0,"Invalid WP multiplicities - A2B9C2_aP26_2_3i_17i_3i:Gd-O-W, expected Gd3W3O17 to be Gd2W2O9" +mp-770657,Gd2W2O9,-10.5001572988,-2.916410888,0.0152709957,0.0152709957,GGA+U,P2_1/c,A2B9C2_mP52_14_2e_9e_2e:Gd-O-W,52.0,"Invalid WP multiplicities - A2B9C2_mP52_14_7e_33e_3e:Gd-O-W, expected Gd7(WO11)3 to be Gd2W2O9" +mp-1178333,Gd2W2O9,-10.4596540138,-2.875907603,0.0557742807,0.0557742807,GGA+U,C222_1,A2B9C2_oC104_20_2ac_a3b7c_abc:Gd-O-W,52.0,"Invalid WP multiplicities - A2B9C2_oC104_20_3a2c_a6b14c_a2b2c:Gd-O-W, expected GdWO5 to be Gd2W2O9" +mp-779920,Gd2W2O9,-10.4419879263,-2.8582415155,0.0734403682,0.0734403682,GGA+U,Pbcn,A2B9C2_oP52_60_d_c4d_d:Gd-O-W,52.0,"Invalid WP multiplicities - A2B9C2_oP52_60_d_2c23d_d:Gd-O-W, expected GdWO24 to be Gd2W2O9" +mp-27754,WCl4O,-5.6205417033,-1.4040474398,0.1559861195,0.1559861195,GGA+U,I4,A4BC_tI12_79_c_a_a:Cl-O-W,6.0,A4BC_tI12_79_c_a_a:Cl-O-W +mp-818711,W2Cl4O7,-5.9142134317,-0.6882728103,0.7904172287,0.7904172287,GGA+U,Ccce,A4B7C2_oC104_68_2i_efg2i_i:Cl-O-W,52.0,A4B7C2_oC104_68_2i_efg2i_i:Cl-O-W +mp-753421,Gd6WO12,-11.8698122195,-3.6184896824,0.0,-0.0234182686,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:Gd-O-W,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:Gd-O-W, expected Gd6WO42 to be Gd6WO12" +mp-778228,Gd2(WO4)3,-10.1706725826,-2.7361490706,0.0214464468,0.0214464468,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Gd-O-W,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_5e_45e_9e:Gd-O-W, expected Gd5(WO5)9 to be Gd2(WO4)3" +mp-773192,Gd2(WO4)3,-10.1557265944,-2.7212030824,0.036392435,0.036392435,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Gd-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_23f_e2f:Gd-O-W, expected Gd2W5O46 to be Gd2(WO4)3" +mp-778269,Gd2(WO4)3,-9.5385188432,-2.1039953312,0.6536001862,0.6536001862,GGA+U,Pba2,A2B12C3_oP68_32_2c_12c_3c:Gd-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_32_5c_45c_9c:Gd-O-W, expected Gd5(WO5)9 to be Gd2(WO4)3" +mp-1212679,Gd3W(ClO2)3,-10.0384272304,-3.0836395998,0.004701464,0.004701464,GGA+U,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-Gd-O-W,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-Gd-O-W +mp-1212606,GdWO5,-9.9868674968,-2.5914823502,0.1307936846,0.1307936846,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Gd-O-W,28.0,AB5C_mP28_14_e_5e_e:Gd-O-W +mp-556208,WCl3O,-6.207032278,-1.5169464937,0.0599751605,0.0599751605,GGA+U,P4_2/mnm,A3BC_tP20_136_fi_f_g:Cl-O-W,20.0,"Invalid WP multiplicities - A3BC_tP20_136_3f3i_f_g:Cl-O-W, expected WCl9O to be WCl3O" +mp-2278932,W(ClO)2,-7.04594096,-1.7362247655,0.0765213008,0.0765213008,GGA+U,Pmm2,A2B2C_oP5_25_e_ab_a:Cl-O-W,5.0,A2B2C_oP5_25_e_ab_a:Cl-O-W +mp-32539,W(ClO)2,-7.048010486,-1.7382942915,0.0744517748,0.0744517748,GGA+U,Pmc2_1,A2B2C_oP10_26_c_2a_a:Cl-O-W,10.0,A2B2C_oP10_26_c_2a_a:Cl-O-W +mp-27937,W(ClO)2,-7.032472991,-1.7227567965,0.0899892698,0.0899892698,GGA+U,Pmc2_1,A2B2C_oP10_26_c_2a_a:Cl-O-W,10.0,A2B2C_oP10_26_c_2a_a:Cl-O-W +mp-555084,GdWClO4,-9.689734825,-2.7369428286,0.0098644307,0.0098644307,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Gd-O-W,14.0,ABC4D_mC28_12_i_i_2ij_i:Cl-Gd-O-W +mp-770918,Gd2W4O15,-9.9206534145,-2.5785059827,0.0713217841,0.0713217841,GGA+U,P-1,A2B15C4_aP42_2_2i_15i_4i:Gd-O-W,42.0,"Invalid WP multiplicities - A2B15C4_aP42_2_3i_29i_7i:Gd-O-W, expected Gd3W7O29 to be Gd2W4O15" +mp-778262,Gd2W4O15,-9.890708354,-2.5485609222,0.1012668446,0.1012668446,GGA+U,P2_1/c,A2B15C4_mP84_14_2e_15e_4e:Gd-O-W,84.0,"Invalid WP multiplicities - A2B15C4_mP84_14_5e_57e_13e:Gd-O-W, expected Gd5W13O57 to be Gd2W4O15" +mp-771090,Gd2W4O15,-9.935458084,-2.5933106522,0.0565171146,0.0565171146,GGA+U,P2_1/c,A2B15C4_mP42_14_e_a7e_2e:Gd-O-W,42.0,"Invalid WP multiplicities - A2B15C4_mP42_14_e_2a28e_7e:Gd-O-W, expected GdW7O29 to be Gd2W4O15" +mp-1246159,Zn4CN4,-5.2774897117,0.0129124697,0.1426938161,0.1426938161,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Zn,36.0,AB4C4_oP36_62_c_4c_4c:C-N-Zn +mp-1182172,C3N4,-8.4610228086,0.2578309311,0.2578309311,0.2578309311,GGA,Imm2,A3B4_oI14_44_ac_abc:C-N,7.0,A3B4_oI14_44_ac_abc:C-N +mp-971684,C3N4,-8.63011318,0.0887405596,0.0887405596,0.0887405596,GGA,Cmcm,A3B4_oC56_63_2c2g_2c3g:C-N,28.0,A3B4_oC56_63_4c7g_4c10g:C-N +mp-971683,C3N4,-8.5971772543,0.1216764854,0.1216764854,0.1216764854,GGA,P3_1,A3B4_hP21_144_3a_4a:C-N,21.0,"Invalid WP multiplicities - A3B4_hP21_144_7a_8a:C-N, expected C7N8 to be C3N4" +mp-9410,C3N4,-8.4202084932,0.2986452464,0.2986452464,0.2986452464,GGA,P31c,A3B4_hP28_159_2c_ab2c:C-N,28.0,A3B4_hP28_159_2c_ab2c:C-N +mp-570572,C3N4,-8.5715860914,0.1472676482,0.1472676482,0.1472676482,GGA,R3m,A3B4_hR21_160_b_ab:C-N,7.0,"Invalid WP multiplicities - A3B4_hR21_160_b_a2b:C-N, expected C3N7 to be C3N4" +mp-1078219,C3N4,-6.3348194314,2.3840343082,2.3840343082,2.3840343082,GGA,P-6,A3B4_hP7_174_j_bj:C-N,7.0,A3B4_hP7_174_j_bj:C-N +mp-1985,C3N4,-8.382715005,0.3361387346,0.3361387346,0.3361387346,GGA,P6_3/m,A3B4_hP14_176_h_ch:C-N,14.0,A3B4_hP14_176_h_ch:C-N +mp-1182484,C3N4,-8.1340372886,0.5848164511,0.5848164511,0.5848164511,GGA,P6_3/m,A3B4_hP14_176_h_ch:C-N,14.0,A3B4_hP14_176_h_ch:C-N +mp-567885,C3N4,-8.5712976286,0.1475561111,0.1475561111,0.1475561111,GGA,P-6m2,A3B4_hP14_187_jk_adjk:C-N,14.0,"Invalid WP multiplicities - A3B4_hP14_187_2j2k_ad2j3k:C-N, expected C12N17 to be C3N4" +mp-1104403,C3N4,-8.6070617279,0.1117920118,0.1117920118,0.1117920118,GGA,P-6m2,A3B4_hP14_187_2j_acl:C-N,14.0,A3B4_hP14_187_2j_acl:C-N +mp-1193580,C3N4,-8.6268660743,0.0919876654,0.0919876654,0.0919876654,GGA,P-6m2,A3B4_hP28_187_2j2k_abcflm:C-N,28.0,"Invalid WP multiplicities - A3B4_hP28_187_2j2k_abcf2l2m:C-N, expected C3N7 to be C3N4" +mp-571653,C3N4,-8.2207355514,0.4981181882,0.4981181882,0.4981181882,GGA,P-43m,A3B4_cP7_215_c_e:C-N,7.0,A3B4_cP7_215_c_e:C-N +mp-2852,C3N4,-8.2155112821,0.5033424575000001,0.5033424575000001,0.5033424575000001,GGA,I-43d,A3B4_cI28_220_a_c:C-N,14.0,A3B4_cI28_220_a_c:C-N +mp-563,C3N4,-7.206974145,1.5118795946,1.5118795946,1.5118795946,GGA,Fd-3m,A3B4_cF56_227_ad_e:C-N,14.0,A3B4_cF56_227_ad_e:C-N +mp-35751,Zn(CN)2,-7.224813364,0.053199525,0.2548625885,0.2548625885,GGA,P4_2nm,A2B2C_tP10_102_c_c_a:C-N-Zn,10.0,A2B2C_tP10_102_c_c_a:C-N-Zn +mp-5245,Zn(CN)2,-7.223907847,0.054105042,0.2557681055,0.2557681055,GGA,P-43m,A2B2C_cP10_215_e_e_ab:C-N-Zn,10.0,A2B2C_cP10_215_e_e_ab:C-N-Zn +mp-1077595,CN2,-7.9264542933,0.7074308208,0.7074308208,0.7074308208,GGA,Cmc2_1,AB2_oC12_36_a_2a:C-N,6.0,AB2_oC12_36_a_2a:C-N +mp-1214163,CN2,-7.48645541,1.1474297042,1.1474297042,1.1474297042,GGA,Pbca,AB2_oP24_61_c_2c:C-N,24.0,AB2_oP24_61_c_2c:C-N +mp-1019086,CN2,-8.2598992917,0.3739858225,0.3739858225,0.3739858225,GGA,P-42_1m,AB2_tP6_113_a_e:C-N,6.0,AB2_tP6_113_a_e:C-N +mp-1009818,CN2,-7.9035485033,0.7303366108,0.7303366108,0.7303366108,GGA,I-4m2,AB2_tI6_119_a_f:C-N,3.0,AB2_tI6_119_a_f:C-N +mp-1102681,CN2,-8.064168875,0.5697162392,0.5697162392,0.5697162392,GGA,I-42d,AB2_tI24_122_d_e:C-N,12.0,AB2_tI24_122_d_e:C-N +mp-1018655,CN2,-8.0373929683,0.5964921458,0.5964921458,0.5964921458,GGA,P-3m1,AB2_hP6_164_c_2d:C-N,6.0,AB2_hP6_164_c_2d:C-N +mp-2718,C2N,-8.5575378504,0.3737374529,0.3737374529,0.3737374529,GGA,Pa-3,A2B_cP72_205_2d_d:C-N,72.0,A2B_cP72_205_2d_d:C-N +mp-624249,Zn(C2N3)2,-7.9881499959,0.0294295614,0.1210945902,0.1210945902,GGA,Pnma,A4B6C_oP44_62_2cd_4cd_c:C-N-Zn,44.0,"Invalid WP multiplicities - A4B6C_oP44_62_7c3d_15c6d_c:C-N-Zn, expected ZnC13N27 to be Zn(C2N3)2" +mp-1104513,C11N4,-7.7378847313,1.2528686098,1.2528686098,1.2528686098,GGA,P222,A11B4_oP15_16_abcjku_u:C-N,15.0,A11B4_oP15_16_abcjku_u:C-N +mp-1104073,C11N4,-8.679869814,0.3108835272,0.3108835272,0.3108835272,GGA,P-42m,A11B4_tP15_111_abcmn_n:C-N,15.0,A11B4_tP15_111_abcmn_n:C-N +mp-1214748,C4N3,-8.4955756615,0.3507310163,0.3507310163,0.3507310163,GGA,Pbca,A4B3_oP112_61_8c_6c:C-N,112.0,A4B3_oP112_61_8c_6c:C-N +mp-1188347,C3N2,-8.607089928,0.2647073375,0.2647073375,0.2647073375,GGA,P-43m,A3B2_cP20_215_i_2e:C-N,20.0,A3B2_cP20_215_i_2e:C-N +mp-1105655,C3N2,-8.606768389,0.2650288765,0.2650288765,0.2650288765,GGA,Pm-3m,A3B2_cP20_221_i_g:C-N,20.0,A3B2_cP20_221_i_g:C-N +mp-1247337,Zn11(CN5)2,-4.9939923098,0.035549427,0.1440616459,0.1440616459,GGA,P4_2/mnm,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Zn,46.0,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Zn +mp-570443,Tl2CN2,-6.160835668,-0.0354473408,0.0,-0.0354473408,GGA,P-1,AB2C2_aP15_2_ai_3i_3i:C-N-Tl,15.0,"Invalid WP multiplicities - AB2C2_aP15_2_ai_5i_5i:C-N-Tl, expected Tl10C3N10 to be Tl2CN2" +mp-1078791,C2N3,-8.134402198,0.558960954,0.558960954,0.558960954,GGA,Cmc2_1,A2B3_oC20_36_b_ab:C-N,10.0,A2B3_oC20_36_b_ab:C-N +mp-29826,ZnCN2,-7.0424285675,-0.2520788294,0.0,-0.238769096,GGA,I-42d,AB2C_tI32_122_d_e_d:C-N-Zn,16.0,AB2C_tI32_122_d_e_d:C-N-Zn +mp-736227,CN,-7.639954275,1.1426259337,1.1426259337,1.1426259337,GGA,P2_1/c,AB_mP32_14_4e_4e:C-N,32.0,AB_mP32_14_4e_4e:C-N +mp-27461,CN,-8.2714707706,0.5111094381,0.5111094381,0.5111094381,GGA,Pbca,AB_oP16_61_c_c:C-N,16.0,AB_oP16_61_c_c:C-N +mp-651723,C5N4,-8.2669924083,0.5651528319,0.5651528319,0.5651528319,GGA,R3c,A5B4_hR54_161_2ab_ab:C-N,18.0,"Invalid WP multiplicities - A5B4_hR54_161_4a2b_2a3b:C-N, expected C10N11 to be C5N4" +mp-652856,Tl2Zn(CN)4,-6.811354147,0.1200705415,0.227847998,0.227847998,GGA,F-43c,A4B4C2D_cF704_219_2e2h_2e2h_eh_ace:C-N-Tl-Zn,176.0,"Invalid WP multiplicities - A4B4C2D_cF704_219_13e31h_13e28h_5e5h_2a4c4e:C-N-Tl-Zn, expected Tl40Zn15(C106N97)2 to be Tl2Zn(CN)4" +mp-571259,Tl2ZnN12,-7.0004380778,0.0677598557,0.0713091179,0.0713091179,GGA,Pca2_1,A12B2C_oP60_29_12a_2a_a:N-Tl-Zn,60.0,"Invalid WP multiplicities - A12B2C_oP60_29_44a_7a_a:N-Tl-Zn, expected Tl7ZnN44 to be Tl2ZnN12" +mp-1245475,Zn(C4N3)2,-8.0830843523,0.2574514543,0.3246724755,0.3246724755,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Zn,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Zn +mp-1245462,Zn(C4N3)2,-8.0709385011,0.2695973056,0.3368183267,0.3368183267,GGA,P31m,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Zn,45.0,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Zn +mp-1014333,C3N,-8.3450958006,0.66052705,0.66052705,0.66052705,GGA,P2_12_12_1,A3B_oP16_19_3a_a:C-N,16.0,A3B_oP16_19_3a_a:C-N +mp-1096864,C3N,-8.0742771444,0.9313457062,0.9313457062,0.9313457062,GGA,P2_12_12_1,A3B_oP16_19_3a_a:C-N,16.0,A3B_oP16_19_3a_a:C-N +mp-1014296,C3N,-8.6949363075,0.3106865431,0.3106865431,0.3106865431,GGA,Cmcm,A3B_oC16_63_cf_c:C-N,8.0,A3B_oC16_63_cf_c:C-N +mp-1014281,C3N,-6.908845385,2.0967774656,2.0967774656,2.0967774656,GGA,Cmmm,A3B_oC8_65_cg_b:C-N,4.0,A3B_oC8_65_cg_b:C-N +mp-1014298,C3N,-7.206988895,1.7986339556000002,1.7986339556000002,1.7986339556000002,GGA,Cmmm,A3B_oC8_65_ak_c:C-N,4.0,A3B_oC8_65_ak_c:C-N +mp-1014324,C3N,-8.4890152012,0.5166076494,0.5166076494,0.5166076494,GGA,Imma,A3B_oI16_74_eh_e:C-N,8.0,A3B_oI16_74_eh_e:C-N +mp-1014287,C3N,-6.184255465,2.8213673856,2.8213673856,2.8213673856,GGA,P4/mmm,A3B_tP8_123_egh_ab:C-N,8.0,A3B_tP8_123_egh_ab:C-N +mp-1014332,C3N,-5.8129564962,3.1926663544,3.1926663544,3.1926663544,GGA,P4/mmm,A3B_tP32_123_ilmnr_abcdef:C-N,32.0,A3B_tP32_123_ilmnr_abcdef:C-N +mp-1096892,C3N,-6.3693708522,2.6362519984,2.6362519984,2.6362519984,GGA,P4/mmm,A3B_tP32_123_ilmnr_abcdef:C-N,32.0,A3B_tP32_123_ilmnr_abcdef:C-N +mp-1014286,C3N,-5.4467902337,3.5588326169,3.5588326169,3.5588326169,GGA,P6_3/mcm,A3B_hP8_193_g_b:C-N,8.0,A3B_hP8_193_g_b:C-N +mp-1014297,C3N,-7.6406645481,1.3649583025,1.3649583025,1.3649583025,GGA,P2_13,A3B_cP16_198_b_a:C-N,16.0,A3B_cP16_198_b_a:C-N +mp-1014214,C3N,-4.6387232025,4.3668996481,4.3668996481,4.3668996481,GGA,Pm-3m,A3B_cP4_221_c_b:C-N,4.0,A3B_cP4_221_c_b:C-N +mp-1014316,C3N,-4.6016889425,4.4039339081,4.4039339081,4.4039339081,GGA,Pm-3m,A3B_cP4_221_c_a:C-N,4.0,A3B_cP4_221_c_a:C-N +mp-1014311,C3N,-4.793827825,4.2117950256,4.2117950256,4.2117950256,GGA,Fm-3m,A3B_cF16_225_ac_b:C-N,4.0,A3B_cF16_225_ac_b:C-N +mp-1188988,Mg2TiB2Ir5,-7.458758828,-0.5940581722,0.0,-0.0121293411,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Ti,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-Ti +mp-1026415,Mg14TiB,-2.1062521075,0.204923173,0.326138646,0.326138646,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Ti, expected Mg18TiB to be Mg14TiB" +mp-1026386,Mg14TiB,-2.0977824856,0.2133927948,0.3346082679,0.3346082679,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Ti, expected Mg26TiB to be Mg14TiB" +mp-1021314,Mg6TiB,-2.6817602,0.3403103109,0.5630742439,0.5630742439,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Ti, expected Mg12TiB to be Mg6TiB" +mp-1021319,Mg6TiB,-2.6300359006000003,0.3920346103,0.6147985433,0.6147985433,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Ti, expected Mg12TiB to be Mg6TiB" +mp-1075937,Rb2W2O5,-7.5263780839,-1.6807367326,0.41346872,0.41346872,GGA+U,Ima2,A5B2C2_oI36_46_b2c_c_ab:O-Rb-W,18.0,A5B2C2_oI36_46_b2c_c_ab:O-Rb-W +mp-1209239,RbSc(WO4)2,-8.6713979783,-2.604500201,0.0,-0.0031211114,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Sc-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Sc-W +mp-1209159,RbSc(WO4)2,-8.6579912342,-2.5910934569,0.0134067442,0.0102856328,GGA+U,P-3m1,A8BCD2_hP12_164_di_a_b_d:O-Rb-Sc-W,12.0,A8BCD2_hP12_164_di_a_b_d:O-Rb-Sc-W +mp-1219848,Rb(WO3)4,-8.8333139135,-2.2348833531,0.00196214,0.00196214,GGA+U,Immm,A12BC4_oI102_71_abekl2m2o_cf_2eo:O-Rb-W,51.0,"Invalid WP multiplicities - A12BC4_oI102_71_abe2k2l8m16o_cf_4e2o:O-Rb-W, expected Rb(W2O15)4 to be Rb(WO3)4" +mp-706249,Rb(WO3)4,-8.8337463708,-2.2353158104,0.0015296827,0.0015296827,GGA+U,P6/mmm,A12BC4_hP153_191_fg5i6o_a4e_6i:O-Rb-W,153.0,"Invalid WP multiplicities - A12BC4_hP153_191_3f3g28i72o_a8e_36i:O-Rb-W, expected Rb17(W36O175)6 to be Rb(WO3)4" +mp-1198691,Rb(WO4)8,-7.8585008951,-1.4453395616,0.3570108012,0.3570108012,GGA+U,C2/m,A32BC8_mC82_12_f5i5j_a_2j:O-Rb-W,41.0,A32BC8_mC82_12_e5i5j_a_2j:O-Rb-W +mp-1219769,Rb2(WO4)3,-7.5618717265,-1.6680056459,0.3213095752,0.3213095752,GGA+U,R-3m,A12B2C3_hR51_166_2h_c_d:O-Rb-W,17.0,"Invalid WP multiplicities - A12B2C3_hR51_166_9h_c_d:O-Rb-W, expected Rb2(WO18)3 to be Rb2(WO4)3" +mp-8145,RbScO2,-7.3002741375,-2.9986789875,0.0025336,-0.0926468002,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Sc,4.0,A2BC_hR12_166_c_a_b:O-Rb-Sc +mp-7650,RbScO2,-7.3028077375,-3.0012125875,0.0,-0.0951804002,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:O-Rb-Sc,8.0,A2BC_hP8_194_f_c_a:O-Rb-Sc +mp-698610,Rb(WO3)6,-8.9416696764,-2.2308811862,0.0,-0.0079626392,GGA+U,Pnnm,A18BC6_oP50_58_ac4h_b_gh:O-Rb-W,50.0,"Invalid WP multiplicities - A18BC6_oP50_58_2a2c21h_b_2g3h:O-Rb-W, expected Rb(W2O11)8 to be Rb(WO3)6" +mp-38637,Rb(WO3)6,-8.9415645268,-2.2307760366,0.0001051496,-0.0078574896,GGA+U,Immm,A18BC6_oI50_71_ablmo_c_ek:O-Rb-W,25.0,"Invalid WP multiplicities - A18BC6_oI50_71_ab2l3m4o_c_ek:O-Rb-W, expected Rb(WO9)6 to be Rb(WO3)6" +mp-18864,Rb2WO4,-7.2074538721,-2.249460555,0.0,-0.0880493673,GGA+U,C2/m,A4B2C_mC28_12_2ij_2i_i:O-Rb-W,14.0,A4B2C_mC28_12_2ij_2i_i:O-Rb-W +mp-1219450,Sc2(WO4)3,-9.2095951429,-2.6860896468,0.028572589,0.028572589,GGA+U,P2/c,A12B2C3_mP34_13_6g_g_eg:O-Sc-W,34.0,"Invalid WP multiplicities - A12B2C3_mP34_13_22g_g_2e2g:O-Sc-W, expected ScW3O22 to be Sc2(WO4)3" +mp-5516,Sc2(WO4)3,-9.2265893138,-2.7030838176,0.0115784181,0.0115784181,GGA+U,Pbcn,A12B2C3_oP68_60_6d_d_cd:O-Sc-W,68.0,"Invalid WP multiplicities - A12B2C3_oP68_60_7d_d_cd:O-Sc-W, expected Sc2W3O14 to be Sc2(WO4)3" +mp-19144,Rb2W2O7,-7.9595680941,-2.2773726774,0.0,-0.0488742053,GGA+U,P2_1/c,A7B2C2_mP22_14_a3e_e_e:O-Rb-W,22.0,A7B2C2_oP22_55_a2gh_h_g:O-Rb-W +mp-975138,RbWO3,-7.797455308,-2.0417092208,0.1532382055,0.1532382055,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-W,5.0,A3BC_cP5_221_c_a_b:O-Rb-W +mp-1209481,Rb4WO5,-6.1952245567,-2.033853549,0.0,-0.1191534192,GGA+U,P-1,A5B4C_aP60_2_15i_12i_3i:O-Rb-W,60.0,A5B4C_aP60_2_15i_12i_3i:O-Rb-W +mp-706241,Rb8W13O43,-8.2499408084,-2.1716973685,0.0789384806,0.0789384806,GGA+U,P1,A43B8C13_aP64_1_43a_8a_13a:O-Rb-W,64.0,A43B8C13_aP64_1_43a_8a_13a:O-Rb-W +mp-757900,Rb5(WO3)18,-8.793400029,-2.2314493158,0.0073326405,0.0073326405,GGA+U,P-31m,A54B5C18_hP77_162_fg2k3l_a2e_3k:O-Rb-W,77.0,"Invalid WP multiplicities - A54B5C18_hP77_162_3f3g8k34l_a3e_15k:O-Rb-W, expected Rb7(W15O79)6 to be Rb5(WO3)18" +mp-761961,Rb5(WO3)18,-8.8000276668,-2.2380769536,0.0007050027,0.0007050027,GGA+U,P6/mmm,A54B5C18_hP77_191_fg2i3o_a2e_3i:O-Rb-W,77.0,"Invalid WP multiplicities - A54B5C18_hP77_191_3f3g8i34o_a3e_15i:O-Rb-W, expected Rb7(W15O79)6 to be Rb5(WO3)18" +mp-705830,Rb5(WO3)18,-8.7984886402,-2.2365379271,0.0022440293,0.0022440293,GGA+U,P6/mmm,A54B5C18_hP154_191_fg5i6o_ab4e_6i:O-Rb-W,154.0,"Invalid WP multiplicities - A54B5C18_hP154_191_3f3g24i72o_ab7e_34i:O-Rb-W, expected Rb8(W34O171)3 to be Rb5(WO3)18" +mp-19617,Rb(WO3)3,-8.7310428819,-2.2406487924,0.0019316112,-0.004433748,GGA+U,P2/m,A9BC3_mP26_10_ijk3m3n_l_abcdef:O-Rb-W,26.0,A9BC3_hP13_191_fm_a_g:O-Rb-W +mp-1179800,Rb(WO3)3,-8.7329744931,-2.2425804036,0.0,-0.0063653591,GGA+U,Cccm,A9BC3_oC52_66_ak3l_b_cef:O-Rb-W,26.0,"Invalid WP multiplicities - A9BC3_oC52_66_2a3k9l_b_2c2e2f:O-Rb-W, expected Rb(W3O13)2 to be Rb(WO3)3" +mp-566332,Rb(WO3)3,-8.7271876854,-2.2367935959,0.0057868077,-0.0005785514,GGA+U,P6mm,A9BC3_hP26_183_2c2e_2a_2c:O-Rb-W,26.0,A9BC3_hP13_191_fm_a_g:O-Rb-W +mp-558328,Rb(WO3)3,-8.7157575304,-2.2253634409,0.0172169627,0.0108516036,GGA+U,P6_3cm,A9BC3_hP26_185_cd_a_c:O-Rb-W,26.0,"Invalid WP multiplicities - A9BC3_hP26_157_4c9d_2a_4c:O-Rb-W, expected Rb(W2O11)3 to be Rb(WO3)3" +mp-1193715,Rb(WO3)3,-8.7259717112,-2.2355776216,0.0070027819,0.0006374228,GGA+U,P6_3mc,A9BC3_hP26_186_3c_a_c:O-Rb-W,26.0,A9BC3_hP26_186_3c_a_c:O-Rb-W +mp-565431,Rb(WO3)3,-8.7291741085,-2.2387800189,0.0038003846,-0.0025649745,GGA+U,P6/mmm,A9BC3_hP13_191_fm_a_g:O-Rb-W,13.0,"Invalid WP multiplicities - A9BC3_hP13_191_2f3m_a_g:O-Rb-W, expected Rb(WO8)3 to be Rb(WO3)3" +mp-752845,Rb(WO3)2,-8.4970655272,-2.2107403272,0.0232296306,0.0232296306,GGA+U,Fd-3m,A6BC2_cF72_227_f_a_d:O-Rb-W,18.0,A6BC2_cF72_227_f_a_d:O-Rb-W +mp-1209741,RbWO7,-6.3586721536,-0.9625071224,0.4292206249,0.4292206249,GGA+U,P-1,A7BC_aP36_2_14i_2i_2i:O-Rb-W,36.0,A7BC_aP36_2_14i_2i_2i:O-Rb-W +mp-674969,Rb5(W4O15)2,-7.8576753862,-1.8816666992,0.1864618252,0.1864618252,GGA+U,P-1,A30B5C8_aP86_2_30i_5i_abef6i:O-Rb-W,86.0,"Invalid WP multiplicities - A30B5C8_aP86_2_60i_8i_abef11i:O-Rb-W, expected Rb8W13O60 to be Rb5(W4O15)2" +mp-531981,Rb2(WO3)9,-8.8681311801,-2.2327407744,0.0021427757,0.0021427757,GGA+U,P-62m,A27B2C9_hP152_189_6ijk5l_4e_fg5i:O-Rb-W,152.0,"Invalid WP multiplicities - A27B2C9_hP152_189_36i6j6k48l_6e_3f3g23i:O-Rb-W, expected RbW13O72 to be Rb2(WO3)9" +mp-706847,Na17(WO3)19,-8.0988648789,-2.1779115359,0.0,-0.0025596466,GGA+U,P1,A17B57C19_aP93_1_17a_57a_19a:Na-O-W,93.0,A17B57C19_aP93_1_17a_57a_19a:Na-O-W +mp-761115,Na7(WO3)8,-8.0727667962,-2.1331963355,0.0460815417,0.0460815417,GGA+U,C2/m,A7B24C8_mC78_12_a3i_fh4i3j_2j:Na-O-W,39.0,"Invalid WP multiplicities - A7B24C8_mC78_12_a5i_2e2h8i11j_6j:Na-O-W, expected Na11(W6O17)4 to be Na7(WO3)8" +mp-820801,Na4WO5,-2.978364424,1.319803072,3.4631336525,3.3062822065,GGA+U,P-1,A4B5C_aP20_2_bd3i_5i_i:Na-O-W,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bd5i_5i_i:Na-O-W, expected Na6WO5 to be Na4WO5" +mp-19334,Na4WO5,-6.4414980765,-2.1433305805,0.0,-0.156851446,GGA+U,P-1,A4B5C_aP20_2_bc3i_5i_i:Na-O-W,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bc5i_5i_i:Na-O-W, expected Na6WO5 to be Na4WO5" +mp-1425422,Na4WO5,-4.9828160005,-0.6846485045,1.458682076,1.30183063,GGA+U,P-1,A4B5C_aP20_2_bc3i_5i_i:Na-O-W,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bc5i_5i_i:Na-O-W, expected Na6WO5 to be Na4WO5" +mp-757528,Na11(WO3)13,-8.1454110848,-2.1783582124,0.0029366448,0.0029366448,GGA+U,P-1,A11B39C13_aP63_2_d5i_bch18i_a6i:Na-O-W,63.0,"Invalid WP multiplicities - A11B39C13_aP63_2_d8i_bch33i_a10i:Na-O-W, expected Na17(W7O23)3 to be Na11(WO3)13" +mp-761117,Na7(WO3)13,-8.4705882095,-2.1886521115,0.0057508131,0.0057508131,GGA+U,P1,A7B39C13_aP59_1_7a_39a_13a:Na-O-W,59.0,A7B39C13_aP59_1_7a_39a_13a:Na-O-W +mp-690535,Na(WO3)2,-8.5019366967,-2.1776124721,0.0181947421,0.0181947421,GGA+U,Imm2,AB6C2_oI18_44_a_abe_c:Na-O-W,9.0,AB6C2_cF36_225_a_d_c:Na-O-W +mp-1221440,Na(WO3)2,-8.5079254506,-2.183601226,0.0122059882,0.0122059882,GGA+U,I4/mmm,AB6C2_tI36_139_ab_hn_f:Na-O-W,18.0,AB6C2_tI36_139_ab_hn_f:Na-O-W +mp-37307,Na(WO3)2,-8.5053846211,-2.1810603966,0.0147468177,0.0147468177,GGA+U,Fm-3m,AB6C2_cF36_225_a_d_c:Na-O-W,9.0,AB6C2_cF36_225_a_d_c:Na-O-W +mp-1191377,Na4W4O15,-7.7574638735,-2.0477702751,0.0863693518,0.0863693518,GGA+U,P-1,A4B15C4_aP23_2_2i_a7i_2i:Na-O-W,23.0,A4B15C4_aP23_2_2i_a7i_2i:Na-O-W +mp-1210221,Na4W4O15,-7.7423357661,-2.0326421677,0.1014974592,0.1014974592,GGA+U,P-1,A4B15C4_aP23_2_2i_a7i_2i:Na-O-W,23.0,A4B15C4_aP23_2_2i_a7i_2i:Na-O-W +mp-1210088,NaWO2,-7.3993484275,-1.355840191,0.5876488119000001,0.5876488119000001,GGA+U,I4_1/a,AB2C_tI32_88_c_f_d:Na-O-W,16.0,AB2C_tI32_88_c_f_d:Na-O-W +mp-1210161,NaSc(WO4)2,-8.6974654488,-2.602068403,0.0,-0.0188238463,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Na-O-Sc-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Na-O-Sc-W +mp-867796,Na6(WO3)7,-8.0928766726,-2.1363317813,0.0441918777,0.0441918777,GGA+U,R-3,A6B21C7_hR102_148_f_d3f_af:Na-O-W,34.0,"Invalid WP multiplicities - A6B21C7_hR102_148_f_3d13f_af:Na-O-W, expected Na6W7O87 to be Na6(WO3)7" +mp-764782,Na5WO5,-5.8998212423,-1.8721666738,0.0786049267,0.0786049267,GGA+U,C2/c,A5B5C_mC44_15_e2f_e2f_e:Na-O-W,22.0,"Invalid WP multiplicities - A5B5C_mC44_15_2e7f_e8f_e:Na-O-W, expected Na16WO17 to be Na5WO5" +mp-18803,Na2WO4,-7.2768353836,-2.221130289,0.0,-0.0318011693,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Na-O-W,14.0,A2B4C_cF56_227_c_e_b:Na-O-W +mp-21634,Na2W2O7,-7.9540020125,-2.2096263738,0.0215195998,0.0099558481,GGA+U,Cmce,A2B7C2_oC88_64_df_3f2g_ef:Na-O-W,44.0,"Invalid WP multiplicities - A2B7C2_oC88_64_2d3f_12f12g_3e2f:Na-O-W, expected Na5W5O36 to be Na2W2O7" +mp-21896,Na2W2O7,-7.9755216123,-2.2311459736,0.0,-0.0115637517,GGA+U,Cmc2_1,A2B7C2_oC44_36_2a_7a_2a:Na-O-W,22.0,"Invalid WP multiplicities - A2B7C2_oC44_36_2a_8a_2a:Na-O-W, expected NaWO4 to be Na2W2O7" +mp-19328,NaWO3,-7.93570917,-2.1115648386,0.0553004563,0.0553004563,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-W,5.0,AB3C_cP5_221_a_c_b:Na-O-W +mp-766425,Na5(WO3)7,-8.2707719079,-2.1738021802,0.0144729353,0.0144729353,GGA+U,C2/m,A5B21C7_mC66_12_a2i_bf3i3j_c3i:Na-O-W,33.0,"Invalid WP multiplicities - A5B21C7_mC66_12_b4i_a2e5i8j_c4i:Na-O-W, expected Na9W9O47 to be Na5(WO3)7" +mp-780475,Na3(W3O8)4,-8.8688918479,-2.1080582862,0.0508594866,0.0508594866,GGA+U,P4,A3B32C12_tP94_75_cd_16d_6d:Na-O-W,94.0,"Invalid WP multiplicities - A3B32C12_tP94_75_2c2d_59d_23d:Na-O-W, expected Na3W23O59 to be Na3(W3O8)4" +mp-757695,Na5(WO3)14,-8.6895578356,-2.2012402034,0.0,-0.0064120976,GGA+U,Imm2,A5B42C14_oI122_44_b2c_2a6c7e_2a6c:Na-O-W,61.0,"Invalid WP multiplicities - A5B42C14_oI122_71_a2e2f_bc6e5f4k15o_2h8n:Na-O-W, expected Na9(W9O40)4 to be Na5(WO3)14" +mp-1176346,Na5(WO3)14,-8.6807768795,-2.1924592474,0.0087809561,0.0023688584,GGA+U,Immm,A5B42C14_oI122_71_aef_bc3e3fk3o_h3n:Na-O-W,61.0,"Invalid WP multiplicities - A5B42C14_oI122_71_a2e2f_bc6e5f4k15o_2h8n:Na-O-W, expected Na9(W9O40)4 to be Na5(WO3)14" +mp-759096,Na7(WO3)12,-8.4043121451,-2.1709297193,0.0218646554,0.0218646554,GGA+U,C2/m,A7B36C12_mC110_12_aij_bcefghi6j_2i2j:Na-O-W,55.0,"Invalid WP multiplicities - A7B36C12_mC110_12_bi3j_ac2e2f2g2h2i22j_4i7j:Na-O-W, expected Na15(W18O55)2 to be Na7(WO3)12" +mp-764858,Na6W10O33,-8.285579508,-2.147677844,0.0736157123,0.0736157123,GGA+U,P-1,A6B33C10_aP49_2_3i_a16i_5i:Na-O-W,49.0,"Invalid WP multiplicities - A6B33C10_aP49_2_5i_a31i_9i:Na-O-W, expected Na10(W2O7)9 to be Na6W10O33" +mp-1221262,Na4(WO3)5,-8.1805839225,-2.1688721311,0.0157003186,0.0157003186,GGA+U,C2/m,A4B15C5_mC48_12_2i_ce2i2j_b2i:Na-O-W,24.0,"Invalid WP multiplicities - A4B15C5_mC48_12_3i_a2e4i5j_c3i:Na-O-W, expected Na6W7O33 to be Na4(WO3)5" +mp-767014,Na5(WO3)6,-8.135777235,-2.1564046609,0.0257943598,0.0257943598,GGA+U,Cmcm,A5B18C6_oC116_63_c2f_2cde2f2h_gh:Na-O-W,58.0,"Invalid WP multiplicities - A5B18C6_oC116_63_2c4f_4c4d4e7f11h_3g3h:Na-O-W, expected Na5(W3O13)3 to be Na5(WO3)6" +mp-754694,Na4WO4,-6.0800030289,-1.8538934457,0.0535276748,0.0535276748,GGA+U,I4/m,A4B4C_tI18_87_h_h_a:Na-O-W,9.0,A4B4C_tI18_87_h_h_a:Na-O-W +mp-1097712,Na2W2O5,-7.7706456011,-1.8490062008,0.2185807421,0.2185807421,GGA+U,P1,A2B5C2_aP18_1_4a_10a_4a:Na-O-W,18.0,A2B5C2_aP18_1_4a_10a_4a:Na-O-W +mp-1076261,Na2W2O5,-7.763198105,-1.8415587047,0.2260282382,0.2260282382,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:Na-O-W,18.0,A2B5C2_oI36_46_c_b2c_ab:Na-O-W +mp-1097724,Na2W2O5,-7.7422303167,-1.8205909163,0.2469960266,0.2469960266,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:Na-O-W,18.0,A2B5C2_oI36_46_c_b2c_ab:Na-O-W +mp-757849,Na3(WO3)4,-8.2256931908,-2.1646215416,0.0224642952,0.0224642952,GGA+U,Cm,A3B12C4_mC76_8_6a_8a8b_4b:Na-O-W,38.0,"Invalid WP multiplicities - A3B12C4_mC76_8_6a_8a10b_6b:Na-O-W, expected Na3(W3O7)2 to be Na3(WO3)4" +mp-38257,Na3(WO3)4,-8.2119638568,-2.1508922076,0.0361936291,0.0361936291,GGA+U,Immm,A3B12C4_oI38_71_abc_lmn_k:Na-O-W,19.0,"Invalid WP multiplicities - A3B12C4_oI38_71_abc_3l3m4n_k:Na-O-W, expected Na3(WO10)4 to be Na3(WO3)4" +mp-35005,Na3(WO3)4,-8.2104181421,-2.1493464929,0.0377393439,0.0377393439,GGA+U,Im-3m,A3B12C4_cI38_229_b_h_c:Na-O-W,19.0,A3B12C4_cI38_229_b_h_c:Na-O-W +mp-759496,Na2W3O10,-8.194669992,-2.128914766,0.0941850668,0.0941850668,GGA+U,C2/c,A2B10C3_mC60_15_f_5f_ef:Na-O-W,30.0,"Invalid WP multiplicities - A2B10C3_mC60_15_f_17f_ef:Na-O-W, expected Na2W3O34 to be Na2W3O10" +mp-1210424,Na3Sc2(WO4)3,-8.2122796217,-2.468921156,0.1486018194,0.1486018194,GGA+U,C2/c,A3B12C2D3_mC80_15_a2e_6f_f_ef:Na-O-Sc-W,40.0,A3B12C2D3_mC80_15_a2e_6f_f_ef:Na-O-Sc-W +mp-759888,Na9(WO3)13,-8.278065588,-2.158733123,0.0302828547,0.0302828547,GGA+U,P1,A9B39C13_aP61_1_9a_39a_13a:Na-O-W,61.0,"Invalid WP multiplicities - A9B39C13_mC122_12_b6i_a2e12i24j_c12i:Na-O-W, expected Na13(WO5)25 to be Na9(WO3)13" +mp-1101697,Na9(WO3)13,-8.297016871,-2.1776844059,0.0113315718,0.0113315718,GGA+U,C2/m,A9B39C13_mC122_12_a4i_bf6i6j_c6i:Na-O-W,61.0,"Invalid WP multiplicities - A9B39C13_mC122_12_b6i_a2e12i24j_c12i:Na-O-W, expected Na13(WO5)25 to be Na9(WO3)13" +mp-1210212,Na3WO4,-6.5823817006,-1.9933240812,0.1166995697,0.1166995697,GGA+U,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Na-O-W,16.0,A3B4C_oP16_31_ab_2ab_a:Na-O-W +mp-1173848,Na14(WO3)19,-8.2270560611,-2.1528217831,0.0347001225,0.0347001225,GGA+U,P4/mmm,A14B57C19_tP90_123_7h_ae9g9i_b9g:Na-O-W,90.0,"Invalid WP multiplicities - A14B57C19_tP90_123_13h_a2e18g36i_b17g:Na-O-W, expected Na26(W7O37)5 to be Na14(WO3)19" +mp-1212519,Na2WO12,-5.6861476837,-0.6885846602,0.347942808,0.347942808,GGA+U,P2_1/c,A2B12C_mP60_14_2e_12e_e:Na-O-W,60.0,A2B12C_mP60_14_2e_12e_e:Na-O-W +mp-1192304,NaWO4,-7.5571487063,-1.8792469782,0.1659701643,0.1659701643,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Na-O-W,24.0,AB4C_aP24_2_2i_8i_2i:Na-O-W +mp-1173873,Na16(WO3)19,-8.1412488146,-2.170312558,0.0112673073,0.0112673073,GGA+U,Cm,A16B57C19_mC184_8_16a_19a19b_19a:Na-O-W,92.0,A16B57C19_mC184_8_16a_19a19b_19a:Na-O-W +mp-532020,Na16(WO3)19,-8.0972750783,-2.1263388217,0.0552410436,0.0552410436,GGA+U,R-3m,A16B57C19_hR276_166_8c_d9h_a9c:Na-O-W,92.0,"Invalid WP multiplicities - A16B57C19_hR276_166_14c_d17h_a17c:Na-O-W, expected Na4(WO3)5 to be Na16(WO3)19" +mp-1186093,Na3W,-2.8610019075,1.3704246201,1.3704246201,1.3704246201,GGA,I4/mmm,A3B_tI8_139_ad_b:Na-W,4.0,A3B_tI8_139_ad_b:Na-W +mp-530781,Na2(WO3)17,-8.9821962919,-2.1934193094,0.0048562958,0.0048562958,GGA+U,P-1,A2B51C17_aP70_2_i_abe24i_d8i:Na-O-W,70.0,"Invalid WP multiplicities - A2B51C17_aP70_2_i_abe48i_c15i:Na-O-W, expected Na2W31O99 to be Na2(WO3)17" +mp-766216,Na4(WO3)9,-8.5763109975,-2.1894642863,0.008414255,0.008414255,GGA+U,C2/m,A4B27C9_mC80_12_2i_ae4i4j_c4i:Na-O-W,40.0,"Invalid WP multiplicities - A4B27C9_mC80_12_4i_ae7i13j_c7i:Na-O-W, expected Na8(W5O23)3 to be Na4(WO3)9" +mp-756681,Na(WO3)9,-8.9956572249,-2.1981898582,0.0,-0.0032672044,GGA+U,R-3,AB27C9_hR111_148_b_d4f_acf:Na-O-W,37.0,"Invalid WP multiplicities - AB27C9_hR111_148_b_3d22f_a2c3f:Na-O-W, expected NaW23O141 to be Na(WO3)9" +mp-757607,Na(WO3)10,-9.0064062702,-2.1941016622,0.0034662417,0.0034662417,GGA+U,C2,AB30C10_mC82_5_a_2b14c_5c:Na-O-W,41.0,"Invalid WP multiplicities - AB30C10_mC82_5_a_2b28c_10c:Na-O-W, expected Na(W10O29)2 to be Na(WO3)10" +mp-1221403,Na(WO3)3,-8.7099816438,-2.1932805373,0.0076796096,0.0076796096,GGA+U,P-3m1,AB9C3_hP13_164_a_ei_bd:Na-O-W,13.0,"Invalid WP multiplicities - AB9C3_hP13_164_a_3e4i_bd:Na-O-W, expected Na(WO11)3 to be Na(WO3)3" +mp-699368,Na3(W2O3)2,-7.4314435062,-0.8560412702,0.9379485787,0.9379485787,GGA+U,Imm2,A3B6C4_oI26_44_2ab_2cd_e:Na-O-W,13.0,"Invalid WP multiplicities - A3B6C4_oI26_44_2ab_3cd_e:Na-O-W, expected Na3(WO2)4 to be Na3(W2O3)2" +mp-37950,Na3(W2O3)2,-7.4308876692,-0.8554854332,0.9385044156,0.9385044156,GGA+U,Imm2,A3B6C4_oI26_44_2ab_2cd_e:Na-O-W,13.0,"Invalid WP multiplicities - A3B6C4_oI26_44_2ab_3cd_e:Na-O-W, expected Na3(WO2)4 to be Na3(W2O3)2" +mp-27248,Na2W4O13,-8.4561133126,-2.2042962204,0.0141453205,0.0102892704,GGA+U,P-1,A2B13C4_aP19_2_i_a6i_2i:Na-O-W,19.0,"Invalid WP multiplicities - A2B13C4_aP19_2_i_a9i_2i:Na-O-W, expected Na2W4O19 to be Na2W4O13" +mp-32533,Na2W4O13,-8.4702586332,-2.2184415409,0.0,-0.0038560501,GGA+U,C2/m,A2B13C4_mC38_12_i_a6i_2i:Na-O-W,19.0,"Invalid WP multiplicities - A2B13C4_mC38_12_i_a10i_2i:Na-O-W, expected Na2W4O21 to be Na2W4O13" +mp-729044,Na2WO6,-6.4560362732,-1.4245570416,0.3029887388,0.3029887388,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Na-O-W,72.0,A2B6C_oP72_61_2c_6c_c:Na-O-W +mp-1181692,Na2WO6,-6.4191974906,-1.387718259,0.3398275214,0.3398275214,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Na-O-W,72.0,A2B6C_oP72_61_2c_6c_c:Na-O-W +mp-1196713,Na2WO6,-6.4547135708,-1.4232343392,0.3043114411,0.3043114411,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Na-O-W,72.0,A2B6C_oP72_61_2c_6c_c:Na-O-W +mp-734039,Na2WO6,-6.2902854378,-1.2588062062,0.4687395742,0.4687395742,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:Na-O-W,72.0,A2B6C_oP72_61_2c_6c_c:Na-O-W +mp-766145,Na10(WO3)13,-8.2141795011,-2.1722148937,0.0142379399,0.0142379399,GGA+U,P-1,A10B39C13_aP62_2_5i_bch18i_a6i:Na-O-W,62.0,"Invalid WP multiplicities - A10B39C13_aP62_2_10i_bch36i_a12i:Na-O-W, expected Na4(WO3)5 to be Na10(WO3)13" +mp-763805,Na7(WO3)9,-8.2196950956,-2.1861731345,0.0,-0.0023800827,GGA+U,P1,A7B27C9_aP43_1_7a_27a_9a:Na-O-W,43.0,A7B27C9_aP43_1_7a_27a_9a:Na-O-W +mp-759564,Na7(WO3)9,-8.1722425777,-2.1387206166,0.0474525179,0.0450724352,GGA+U,P-1,A7B27C9_aP43_2_e3i_abh12i_c4i:Na-O-W,43.0,"Invalid WP multiplicities - A7B27C9_aP43_2_e5i_abh23i_c6i:Na-O-W, expected Na11W13O49 to be Na7(WO3)9" +mp-36529,Na3(WO3)10,-8.7528309012,-2.1958648659,0.0046979916,0.0046979916,GGA+U,P2/m,A3B30C10_mP43_10_bm_ah2m2n5o_ce2m2n:Na-O-W,43.0,"Invalid WP multiplicities - A3B30C10_mP43_10_bm_ae4m4n15o_ch4m4n:Na-O-W, expected Na(W3O13)2 to be Na3(WO3)10" +mp-760087,Na5(WO3)13,-8.6468010614,-2.1908505492,0.0093173537,0.0093173537,GGA+U,P-1,A5B39C13_aP57_2_c2i_abg18i_d6i:Na-O-W,57.0,"Invalid WP multiplicities - A5B39C13_aP57_2_c3i_abg34i_d12i:Na-O-W, expected Na7W25O71 to be Na5(WO3)13" +mp-29697,Na5(W7O22)2,-8.6262691837,-2.1868921522,0.0237988301,0.0237988301,GGA+U,P-1,A5B44C14_aP63_2_a2i_22i_7i:Na-O-W,63.0,"Invalid WP multiplicities - A5B44C14_aP63_2_a2i_24i_9i:Na-O-W, expected Na5(W3O8)6 to be Na5(W7O22)2" +mp-1173831,Na8(WO3)19,-8.577286303,-2.1636442404,0.0351220126,0.0351220126,GGA+U,P4/mmm,A8B57C19_tP84_123_4h_ae9g9i_b9g:Na-O-W,84.0,"Invalid WP multiplicities - A8B57C19_tP84_123_6h_a2e17g35i_b18g:Na-O-W, expected Na12W37O179 to be Na8(WO3)19" +mp-530412,Na17(WO3)20,-8.1110881622,-2.1477184997,0.0333060407,0.0333060407,GGA+U,Cmmm,A17B60C20_oC194_65_a3gi2p_f5h2j5p6q_5q:Na-O-W,97.0,"Invalid WP multiplicities - A17B60C20_oC194_65_a2g6i6p_2f4h10j16p23q_17q:Na-O-W, expected Na41(W17O47)4 to be Na17(WO3)20" +mp-1221401,Na2(WO3)3,-8.30868725,-2.1629987016,0.0268904351,0.0268904351,GGA+U,P-3m1,A2B9C3_hP14_164_d_ei_bd:Na-O-W,14.0,"Invalid WP multiplicities - A2B9C3_hP14_164_d_3e4i_bd:Na-O-W, expected Na2(WO11)3 to be Na2(WO3)3" +mp-757561,Na9(WO3)16,-8.4304039456,-2.1745975146,0.018939752,0.018939752,GGA+U,C2/m,A9B48C16_mC146_12_a4i_8i8j_ef3j:Na-O-W,73.0,"Invalid WP multiplicities - A9B48C16_mC146_12_a7i_16i17j_2e2f9j:Na-O-W, expected Na15(W11O25)4 to be Na9(WO3)16" +mp-1173836,Na7(WO3)20,-8.6695635349,-2.1727634852,0.0283930232,0.0283930232,GGA+U,P4mm,A7B60C20_tP87_99_7b_20a20c_20a:Na-O-W,87.0,"Invalid WP multiplicities - A7B60C20_tP87_99_7b_20a40c_20a:Na-O-W, expected Na7(WO5)20 to be Na7(WO3)20" +mp-531997,Na11(WO3)16,-8.2766694253,-2.152417158,0.0367618093,0.0367618093,GGA+U,P1,A11B48C16_aP75_1_11a_48a_16a:Na-O-W,75.0,A11B48C16_aP75_1_11a_48a_16a:Na-O-W +mp-532334,Na(WO3)8,-8.9500385962,-2.1710053779,0.0273663679,0.0273663679,GGA+U,I-4,AB24C8_tI66_82_a_6g_2g:Na-O-W,66.0,"Invalid WP multiplicities - AB24C8_tI66_82_a_44g_9g:Na-O-W, expected Na(W9O44)4 to be Na(WO3)8" +mp-1028039,Mg14ZnCo,-1.8640770631,0.0591718184,0.1015630028,0.1015630028,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Zn, expected Mg18ZnCo to be Mg14ZnCo" +mp-1027994,Mg14ZnCo,-1.8654617144,0.0577871672,0.1001783515,0.1001783515,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Zn, expected Mg26ZnCo to be Mg14ZnCo" +mp-2224746,MgZn2(CoS2)4,-5.0610598767,-0.6847507177000001,0.2569797885,0.2569797885,GGA,C2/m,A4BC8D2_mC30_12_ace_b_2ij_f:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bc2f_a_4i4j_e:Co-Mg-S-Zn, expected MgZn2(CoS4)6 to be MgZn2(CoS2)4" +mp-2232705,MgZn2(CoS2)4,-5.0498190847,-0.6735099257,0.2682205805,0.2682205805,GGA,Imm2,A4BC8D2_oI30_44_cd_a_2c2d_c:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_2c2d_a_4c4d_c:Co-Mg-S-Zn, expected MgZn2(CoS2)8 to be MgZn2(CoS2)4" +mp-2232206,MgZn2(CoS2)4,-5.0470215113,-0.6707123523,0.2710181538,0.2710181538,GGA,Imm2,A4BC8D2_oI30_44_cd_a_2c2d_ab:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_2cd_a_4c4d_ab:Co-Mg-S-Zn, expected MgZn2(Co3S8)2 to be MgZn2(CoS2)4" +mp-2233160,MgZn2(CoS2)4,-5.0662052473,-0.6898960883,0.2518344178,0.2518344178,GGA,Imm2,A4BC8D2_oI30_44_cd_a_2c2d_c:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_2c2d_a_4c4d_c:Co-Mg-S-Zn, expected MgZn2(CoS2)8 to be MgZn2(CoS2)4" +mp-2232697,MgZn2(CoS2)4,-5.0816210513,-0.7053118923,0.2364186138,0.2364186138,GGA,R-3m,A4BC8D2_hR45_166_ad_b_ch_c:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_hR45_166_a2d_b_2c3h_c:Co-Mg-S-Zn, expected MgZn2Co7S22 to be MgZn2(CoS2)4" +mp-2232277,MgZn2(CoS2)4,-4.815923484,-0.439614325,0.5021161811,0.5021161811,GGA,F-43m,A4BC8D2_cF60_216_e_a_2e_bc:Co-Mg-S-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_cF60_216_e_a_5e_bc:Co-Mg-S-Zn, expected MgZn2(CoS5)4 to be MgZn2(CoS2)4" +mp-1022619,Mg6ZnCo,-2.1491794338,0.0970382794,0.1557694573,0.1557694573,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Zn, expected Mg12ZnCo to be Mg6ZnCo" +mp-1022624,Mg6ZnCo,-2.1440339675,0.1021837456,0.1609149236,0.1609149236,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Zn, expected Mg12ZnCo to be Mg6ZnCo" +mp-1221921,MgZnCo,-3.4359783083,-0.1131978233,0.0,-0.0286051507,GGA,Imma,ABC_oI12_74_a_e_c:Co-Mg-Zn,6.0,ABC_oI12_74_a_e_c:Co-Mg-Zn +mp-2228469,MgZn(CoS2)4,-5.3224788486,-0.7235578646,0.1792532604,0.1792532604,GGA,C2/m,A4BC8D_mC28_12_ace_b_2ij_d:Co-Mg-S-Zn,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_ad2e_c_3i2j_b:Co-Mg-S-Zn, expected MgZn(Co3S7)2 to be MgZn(CoS2)4" +mp-2228491,MgZn(CoS2)4,-5.3315147121,-0.7325937282,0.1702173968,0.1702173968,GGA,C2/m,A4BC8D_mC28_12_abe_c_2ij_d:Co-Mg-S-Zn,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_cde_a_3i3j_b:Co-Mg-S-Zn, expected MgZn(Co2S9)2 to be MgZn(CoS2)4" +mp-2228588,MgZn(CoS2)4,-5.3333467521,-0.7344257682,0.1683853568,0.1683853568,GGA,R3m,A4BC8D_hR42_160_ab_a_2a2b_a:Co-Mg-S-Zn,14.0,"Invalid WP multiplicities - A4BC8D_hR42_160_ab_a_2a3b_a:Co-Mg-S-Zn, expected MgZnCo4S11 to be MgZn(CoS2)4" +mp-2228597,MgZn(CoS2)4,-5.4347498629,-0.8358288789,0.0669822461,0.0669822461,GGA,F-43m,A4BC8D_cF56_216_e_a_2e_c:Co-Mg-S-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Co-Mg-S-Zn +mp-1178458,Co2(SO4)3,-6.6236759337,-1.5656612439000002,0.0355488512,0.0355488512,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Co-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Co-O-S, expected Co3S11O43 to be Co2(SO4)3" +mp-768456,Co2(SO4)3,-6.5606533507,-1.502638661,0.0985714341,0.0985714341,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Co-O-S,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c2d:Co-O-S, expected Co(SO7)3 to be Co2(SO4)3" +mp-768501,Co2(SO4)3,-6.5593127976,-1.5012981079,0.0999119872,0.0999119872,GGA+U,R-3c,A2B12C3_hR102_167_c_2f_e:Co-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_9f_e:Co-O-S, expected Co2(SO18)3 to be Co2(SO4)3" +mp-1198398,CoSO10,-5.2353873615,-0.1760827969,0.6950396298,0.6950396298,GGA+U,C2/c,AB10C_mC96_15_ae_10f_f:Co-O-S,48.0,AB10C_mC96_15_ae_10f_f:Co-O-S +mp-1197364,BiSO6,-5.6838423784,-0.9767084704,0.5366046659,0.5366046659,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Bi-O-S,32.0,AB6C_mP32_14_e_6e_e:Bi-O-S +mp-27726,SO2,-6.1996536517,-1.5230445552,0.0,-0.1200149161,GGA,Aea2,A2B_oC12_41_b_a:O-S,6.0,A2B_oC12_41_b_a:O-S +mp-675169,Bi14SO24,-6.1297684321,-1.6009523614,0.1229046985,0.0947280654,GGA,P-1,A14B24C_aP39_2_7i_12i_a:Bi-O-S,39.0,"Invalid WP multiplicities - A14B24C_aP39_2_13i_23i_a:Bi-O-S, expected Bi26SO46 to be Bi14SO24" +mp-759924,Bi14SO24,-6.2526731305,-1.7238570598,0.0,-0.028176633,GGA,Cm,A14B24C_mC78_8_4a5b_2a11b_a:Bi-O-S,39.0,"Invalid WP multiplicities - A14B24C_mC78_8_4a10b_2a22b_a:Bi-O-S, expected Bi24SO46 to be Bi14SO24" +mp-1194011,SO12,-5.0995652815,-0.2152026352,0.2704614706,0.2704614706,GGA,C2,A12B_mC52_5_12c_c:O-S,26.0,A12B_mC52_5_12c_c:O-S +mp-27891,Bi2SO2,-5.701329385,-1.3591682751,0.0,-0.017343202,GGA,Pnnm,A2B2C_oP10_58_g_g_a:Bi-O-S,10.0,A2B2C_oP10_58_g_g_a:Bi-O-S +mp-1213843,CoSO8,-5.6424687578,-0.5606410226,0.4847058895,0.4847058895,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Co-O-S,40.0,AB8C_mP40_14_e_8e_e:Co-O-S +mp-1201339,Co3(SO6)2,-6.477543561,-1.2447131108,0.1759856971,0.1759856971,GGA+U,Pbcm,A3B12C2_oP68_57_de_4d4e_cd:Co-O-S,68.0,A3B12C2_oP68_57_de_4d4e_cd:Co-O-S +mp-772268,Co(SO4)2,-6.477832907,-1.4819486144,0.0423334308,0.0423334308,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Co-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Co-O-S, expected Co(SO9)2 to be Co(SO4)2" +mp-771768,Co(SO4)2,-6.473462913,-1.4775786204,0.0467034247,0.0467034247,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Co-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Co-O-S, expected Co(SO9)2 to be Co(SO4)2" +mp-1179626,SO5,-5.6214205583,-0.8097716545,0.2425005749,0.2425005749,GGA,P2_1/c,A5B_mP24_14_5e_e:O-S,24.0,A5B_mP24_14_5e_e:O-S +mp-1209240,SO5,-5.4372180363,-0.6255691324,0.4267030969,0.4267030969,GGA,P2_12_12_1,A5B_oP24_19_5a_a:O-S,24.0,A5B_oP24_19_5a_a:O-S +mp-1078366,Bi2S2O,-5.201454824,-1.021341483,0.0,-0.0098656165,GGA,P4/nmm,A2BC2_tP10_129_2c_a_2c:Bi-O-S,10.0,A2BC2_tP10_129_2c_a_2c:Bi-O-S +mp-1196265,SO6,-5.1350203588,-0.3040800539,0.5978675712,0.5978675712,GGA,C2/c,A6B_mC84_15_9f_ef:O-S,42.0,A6B_mC84_15_9f_ef:O-S +mp-1178522,Bi(SO4)2,-6.3839195487,-1.6851105893,0.0571670859,0.0571670859,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Bi-O-S,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_29c_5c:Bi-O-S, expected BiS5O29 to be Bi(SO4)2" +mp-726080,SO4,-5.908169349,-1.1235284066,0.1391982686,0.1391982686,GGA,Cc,A4B_mC20_9_4a_a:O-S,10.0,A4B_mC20_9_4a_a:O-S +mp-1179608,SO4,-5.789281375,-1.0046404326,0.2580862426,0.2580862426,GGA,C2/c,A4B_mC20_15_2f_e:O-S,10.0,A4B_mC20_15_2f_e:O-S +mp-1070625,SO4,-5.8884491,-1.1038081576,0.1589185176,0.1589185176,GGA,F-43m,A4B_cF20_216_e_a:O-S,5.0,A4B_cF20_216_e_a:O-S +mp-1296272,CoBi6(SO8)2,-6.4829023579000005,-1.7800554903,0.0092888859,-0.0124994884,GGA+U,P2,A6BC16D2_mP100_3_12e_abe_2c2d30e_4e:Bi-Co-O-S,100.0,"Invalid WP multiplicities - A6BC16D2_mP100_3_24e_ab2e_2c2d60e_8e:Bi-Co-O-S, expected Co3Bi24(S4O31)2 to be CoBi6(SO8)2" +mp-1275839,CoBi6(SO8)2,-6.4900477637,-1.7872008961,0.0021434801,-0.0196448942,GGA+U,P2,A6BC16D2_mP50_3_6e_ad_2b2c14e_2e:Bi-Co-O-S,100.0,"Invalid WP multiplicities - A6BC16D2_mP50_3_24e_2a2c_4b4d56e_8e:Bi-Co-O-S, expected CoBi12(S2O15)2 to be CoBi6(SO8)2" +mp-1190466,CoBi6(SO8)2,-6.4921912438,-1.7893443762,0.0,-0.0217883743,GGA+U,C2,A6BC16D2_mC50_5_3c_a_2b7c_c:Bi-Co-O-S,50.0,A6BC16D2_mC50_5_3c_a_2b7c_c:Bi-Co-O-S +mp-1282897,CoBi6(SO8)2,-6.4766128813,-1.7737660137,0.0155783625,-0.0062100118,GGA+U,C2,A6BC16D2_mC200_5_12c_abc_32c_4c:Bi-Co-O-S,100.0,"Invalid WP multiplicities - A6BC16D2_mC200_5_24c_abc_60c_8c:Bi-Co-O-S, expected CoBi12(S2O15)2 to be CoBi6(SO8)2" +mp-1306933,CoBi6(SO8)2,-6.4799938295,-1.7771469619,0.0121974143,-0.00959096,GGA+U,C2,A6BC16D2_mC200_5_12c_abc_32c_4c:Bi-Co-O-S,100.0,"Invalid WP multiplicities - A6BC16D2_mC200_5_24c_ab2c_60c_8c:Bi-Co-O-S, expected Co3Bi24(S2O15)4 to be CoBi6(SO8)2" +mp-1103845,CoSO5,-6.4872253814,-1.3474809217,0.1458718098,0.1458718098,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Co-O-S,14.0,AB5C_mC28_15_c_e2f_e:Co-O-S +mp-1197960,Bi2S2O9,-6.514391275,-1.8625392446,0.0,-0.0138708704,GGA,C2/c,A2B9C2_mC312_15_6f_27f_6f:Bi-O-S,156.0,A2B9C2_mC312_15_6f_27f_6f:Bi-O-S +mp-561397,SO3,-6.3193446019,-1.5752156017,0.0031927423,-0.3018686394,GGA,P2_1/c,A3B_mP16_14_3e_e:O-S,16.0,"Invalid WP multiplicities - A3B_mP16_14_11e_e:O-S, expected SO11 to be SO3" +mp-2414,SO3,-6.3225373442,-1.578408344,0.0,-0.3050613817,GGA,Pna2_1,A3B_oP48_33_9a_3a:O-S,48.0,A3B_oP48_33_9a_3a:O-S +mp-768490,Bi2(SO4)3,-6.5390076578,-1.8654433992,0.005250501,-0.0415350978,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Bi-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_45e_11e:Bi-O-S, expected Bi3S11O45 to be Bi2(SO4)3" +mp-768467,Bi2(SO4)3,-6.4904529791,-1.8168887206,0.0538051797,0.0070195809,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Bi-O-S,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_21f_e2f:Bi-O-S, expected Bi2S5O42 to be Bi2(SO4)3" +mp-1195213,Bi2(SO4)3,-6.5370085365,-1.8634442779,0.0072496224,-0.0395359765,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Bi-O-S,34.0,A2B12C3_mC68_15_f_6f_ef:Bi-O-S +mp-777294,Bi2(SO4)3,-6.5119272733,-1.8383630147,0.0323308855,-0.0144547133,GGA,Pbca,A2B12C3_oP136_61_2c_12c_3c:Bi-O-S,136.0,"Invalid WP multiplicities - A2B12C3_oP136_61_5c_45c_9c:Bi-O-S, expected Bi5(SO5)9 to be Bi2(SO4)3" +mp-760109,Bi2(SO4)3,-6.5442581588,-1.8706939003,0.0,-0.0467855988,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Bi-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_21f_f:Bi-O-S, expected BiSO21 to be Bi2(SO4)3" +mp-768482,Bi2(SO4)3,-6.5335421697000005,-1.8599779111,0.0107159891,-0.0360696097,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Bi-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_9f_e:Bi-O-S, expected Bi2(SO18)3 to be Bi2(SO4)3" +mp-1201092,Bi2SO7,-6.1646847505,-1.5202598399,0.1335288838,0.1335288838,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Bi-O-S,40.0,A2B7C_mP40_14_2e_7e_e:Bi-O-S +mp-1200203,Bi2(S2O7)3,-6.4747198053,-1.7719563434,0.0,-0.0222081905,GGA,P-1,A2B21C6_aP58_2_2i_21i_6i:Bi-O-S,58.0,A2B21C6_aP58_2_2i_21i_6i:Bi-O-S +mp-27465,S8O,-4.4233178358,-0.1968414307,0.0569993285,0.0569993285,GGA,Pca2_1,AB8_oP36_29_a_8a:O-S,36.0,AB8_oP36_29_a_8a:O-S +mp-562862,CoBi2SO7,-6.6247012291,-1.7562860563,0.0038494243,-0.00607054,GGA+U,Pbcm,A2BC7D_oP44_57_2d_d_c2d2e_d:Bi-Co-O-S,44.0,"Invalid WP multiplicities - A2BC7D_oP44_57_5d_d_4c8d10e_d:Bi-Co-O-S, expected CoBi5SO32 to be CoBi2SO7" +mp-1195268,CoBi2SO7,-6.6285506534,-1.7601354806,0.0,-0.0099199643,GGA+U,Pbca,A2BC7D_oP88_61_2c_c_7c_c:Bi-Co-O-S,88.0,A2BC7D_oP88_61_2c_c_7c_c:Bi-Co-O-S +mp-613227,CoSO4,-6.6796429625,-1.5077225447,0.2345223087,0.0074713898,GGA+U,P2_1/m,AB4C_mP12_11_a_2ef_e:Co-O-S,12.0,"Invalid WP multiplicities - AB4C_mP12_11_a_3e2f_e:Co-O-S, expected CoSO7 to be CoSO4" +mp-19379,CoSO4,-6.9141652712,-1.7422448534,0.0,-0.2270509189,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Co-O-S,24.0,AB4C_oP24_62_a_2cd_c:Co-O-S +mp-19198,CoSO4,-6.9116962192,-1.7397758014,0.0024690521,-0.2245818668,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Co-O-S,12.0,AB4C_oC24_63_a_fg_c:Co-O-S +mp-1205304,TiI2O7,-6.146762333,-1.5998577635,0.0,-0.0088230428,GGA,Cmc2_1,A2B7C_oC40_36_b_a3b_a:I-O-Ti,20.0,A2B7C_oC40_36_b_a3b_a:I-O-Ti +mp-566599,La(IO3)3,-5.6517695992,-1.5074384795,0.0,-0.1069431886,GGA,Cc,A3BC9_mC156_9_9a_3a_27a:I-La-O,78.0,"Invalid WP multiplicities - A3BC9_mC156_9_16a_5a_54a:I-La-O, expected La5(I8O27)2 to be La(IO3)3" +mp-1180685,La(IO3)3,-4.8451419238,-0.7008108041000001,0.8066276754,0.6996844868000001,GGA,Pmmn,A3BC9_oP26_59_be_a_aefg:I-La-O,26.0,A3BC9_oP26_59_be_a_aefg:I-La-O +mp-1193824,La(IO3)3,-5.1784572696,-1.0341261499,0.4733123296,0.366369141,GGA,Pmmn,A3BC9_oP26_59_be_a_aefg:I-La-O,26.0,A3BC9_oP26_59_be_a_aefg:I-La-O +mp-1195147,La3(IO3)13,-5.3327535394,-1.2076145648,0.0577650282,0.0577650282,GGA,R3c,A13B3C39_hR330_161_a4b_b_13b:I-La-O,110.0,A13B3C39_hR330_161_a4b_b_13b:I-La-O +mp-1080184,LaIO3,-6.521473916,-2.2715859982,0.0978370764,0.0978370764,GGA,C2/m,ABC3_mC20_12_i_i_3i:I-La-O,10.0,ABC3_mC20_12_i_i_3i:I-La-O +mp-1180878,La7(IO6)3,-6.8330791971,-2.261202569,0.5145223353,0.5145223353,GGA,P2_1/m,A3B7C18_mP56_11_3e_7e_18e:I-La-O,56.0,"Invalid WP multiplicities - A3B7C18_mP56_11_6e_13e_36e:I-La-O, expected La13(IO6)6 to be La7(IO6)3" +mp-1197276,La7(IO6)3,-6.7249726532,-2.1530960251,0.6226288792,0.6226288792,GGA,P6_3/m,A3B7C18_hP56_176_h_c2h_6h:I-La-O,56.0,A3B7C18_hP56_176_h_c2h_6h:I-La-O +mp-556399,LaTiI5O16,-5.8753586086,-1.5559955542,0.0,-0.0083747773,GGA,P2_1/c,A5BC16D_mP92_14_5e_e_16e_e:I-La-O-Ti,92.0,"Invalid WP multiplicities - A5BC16D_mP92_14_17e_e_60e_e:I-La-O-Ti, expected LaTiI17O60 to be LaTiI5O16" +mp-1203336,La(IO3)4,-5.3912509778,-1.2624429166,0.04921264,0.04921264,GGA,P2_1/c,A4BC12_mP68_14_4e_e_12e:I-La-O,68.0,A4BC12_mP68_14_4e_e_12e:I-La-O +mp-1211271,La2I2O,-4.999607242,-1.4465201178,0.982086987,0.982086987,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:I-La-O,5.0,A2B2C_tP5_123_g_g_a:I-La-O +mp-30993,LaIO,-6.9721955183,-3.1868414629,0.0,-0.2034637521,GGA,P4/nmm,ABC_tP6_129_c_c_a:I-La-O,6.0,ABC_tP6_129_c_c_a:I-La-O +mp-1198393,La2I6O19,-5.5622237698,-1.3881757023,0.0634317225,0.0634317225,GGA,Pc,A6B2C19_mP54_7_6a_2a_19a:I-La-O,54.0,A6B2C19_mP54_7_6a_2a_19a:I-La-O +mp-765472,KTi6O12,-9.0680736676,-3.3920939002,0.0006252305,0.0006252305,GGA,I4/m,AB12C6_tI76_87_e_2h2i_hi:K-O-Ti,38.0,"Invalid WP multiplicities - AB12C6_tI76_87_e_7h11i_4h4i:K-O-Ti, expected KTi24O58 to be KTi6O12" +mp-758970,K3Ti8O17,-8.6857625536,-3.3075896584,0.0,-0.0076166893,GGA,P-1,A3B17C8_aP56_2_3i_ad16i_8i:K-O-Ti,56.0,"Invalid WP multiplicities - A3B17C8_aP56_2_5i_ad31i_16i:K-O-Ti, expected K5Ti16O32 to be K3Ti8O17" +mp-1224029,K3Ti8O17,-8.6853418396,-3.3071689444,0.0004207139,-0.0071959754,GGA,Cm,A3B17C8_mC56_8_3a_17a_8a:K-O-Ti,28.0,A3B17C8_mC56_8_3a_17a_8a:K-O-Ti +mp-1194282,K2Ti4O9,-8.4846213697,-3.2630904122,0.0009904513,0.0009904513,GGA,C2/m,A2B9C4_mC60_12_2i_9i_4i:K-O-Ti,30.0,A2B9C4_mC60_12_2i_9i_4i:K-O-Ti +mp-8065,K2Ti6O13,-8.7740832643,-3.3502402528,0.0,-0.0153279449,GGA,C2/m,A2B13C6_mC42_12_i_a6i_3i:K-O-Ti,21.0,A2B13C6_mC42_12_i_a6i_3i:K-O-Ti +mp-1184959,KSrO3,-4.863301408,-1.3353097012,0.506905779,0.506905779,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Sr,5.0,AB3C_cP5_221_a_c_b:K-O-Sr +mp-28075,K2Ti2O5,-7.8125117867,-3.0630422885,0.0,-0.0195714783,GGA,C2/m,A2B5C2_mC18_12_i_a2i_i:K-O-Ti,9.0,A2B5C2_mC18_12_i_a2i_i:K-O-Ti +mp-756510,K4TiO4,-5.9568972567,-2.3875814067,0.0,-0.0521036428,GGA,P-1,A4B4C_aP18_2_4i_4i_i:K-O-Ti,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_7i_7i_i:K-O-Ti, expected K7TiO7 to be K4TiO4" +mp-769947,K4TiO4,-5.9498422764,-2.3805264264,0.0070549803,-0.0450486625,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:K-O-Ti,36.0,"Invalid WP multiplicities - A4B4C_mP36_14_15e_15e_e:K-O-Ti, expected K15TiO15 to be K4TiO4" +mp-754377,K4TiO4,-5.8742421711,-2.3049263211,0.0826550856,0.0305514428,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:K-O-Ti,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:K-O-Ti, expected K6TiO6 to be K4TiO4" +mp-760376,KTiO3,-7.436609148,-2.6674177285000003,0.0893203311,0.0893203311,GGA,P4mm,AB3C_tP5_99_b_ac_a:K-O-Ti,5.0,AB3C_tP5_99_b_ac_a:K-O-Ti +mp-1180658,KTiO3,-7.4266896085,-2.657498189,0.0992398706,0.0992398706,GGA,P6_3/mmc,AB3C_hP20_194_ac_gh_f:K-O-Ti,20.0,AB3C_hP20_194_ac_gh_f:K-O-Ti +mp-756334,K2Sr2O3,-5.1583257164,-2.2383470115,0.0553324064,0.0553324064,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:K-O-Sr,14.0,A2B3C2_mP14_14_e_ae_e:K-O-Sr +mp-13133,K2TiO3,-6.9283389817,-2.7689463076000003,0.0,-0.0247324579,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:K-O-Ti,12.0,A2B3C_oC24_63_g_ce_c:K-O-Ti +mp-1224160,K2SrTi10O22,-8.8909736226,-3.4140489608,0.0043077403,0.0043077403,GGA,Cm,A2B22CD10_mC70_8_2a_22a_a_10a:K-O-Sr-Ti,35.0,A2B22CD10_mC70_8_2a_22a_a_10a:K-O-Sr-Ti +mp-1211178,KTi4O8,-8.88853813,-3.3296245374,0.0117623996,0.0117623996,GGA,I4/m,AB8C4_tI26_87_a_2h_h:K-O-Ti,,AB8C4_tI26_87_a_2h_h:K-O-Ti +mp-879635,KTi16O32,-6.8194666555,-0.9881950234,2.4717284662,2.4717284662,GGA,P-1,AB32C16_aP49_2_a_16i_8i:K-O-Ti,49.0,"Invalid WP multiplicities - AB32C16_aP49_2_a_30i_16i:K-O-Ti, expected KTi32O60 to be KTi16O32" +mp-757418,KTi16O32,-9.257206772,-3.4259351399,0.0339883497,0.0339883497,GGA,P-1,AB32C16_aP49_2_a_16i_8i:K-O-Ti,49.0,"Invalid WP multiplicities - AB32C16_aP49_2_a_30i_16i:K-O-Ti, expected KTi32O60 to be KTi16O32" +mp-762279,K2Ti8O17,-8.9110519581,-3.3748133612,0.0092593356,0.0092593356,GGA,C2/m,A2B17C8_mC54_12_i_a8i_4i:K-O-Ti,27.0,"Invalid WP multiplicities - A2B17C8_mC54_12_i_a15i_7i:K-O-Ti, expected K2Ti14O31 to be K2Ti8O17" +mp-560228,K6Ti2O7,-6.357951767,-2.5526051874,0.000311599,-0.0124778203,GGA,Pc,A6B7C2_mP30_7_6a_7a_2a:K-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mP30_7_8a_12a_4a:K-O-Ti, expected K2TiO3 to be K6Ti2O7" +mp-5455,K6Ti2O7,-6.358263366,-2.5529167864,0.0,-0.0127894193,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:K-O-Ti,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_4e_a4e_e:K-O-Ti, expected K8Ti2O9 to be K6Ti2O7" +mp-28619,VSeO4,-7.2240441929,-1.8296154608,0.004146846,0.004146846,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Se-V,24.0,A4BC_mP24_14_4e_e_e:O-Se-V +mp-1216762,V2Cd3O8,-6.6061510404,-1.9515363396,0.0220642304,0.0220642304,GGA+U,Pmc2_1,A3B8C2_oP26_26_ac_2a2b2c_ab:Cd-O-V,26.0,"Invalid WP multiplicities - A3B8C2_oP26_26_ac_2a2b3c_ab:Cd-O-V, expected V2Cd3O10 to be V2Cd3O8" +mp-972384,V2Se2O11,-6.8817024523,-1.5768217244,0.0,-0.0308043764,GGA+U,C2/c,A11B2C2_mC60_15_e5f_f_f:O-Se-V,30.0,A11B2C2_mC60_15_e5f_f_f:O-Se-V +mp-22649,VCdO3,-6.9790683805,-2.0096959877,0.0701796605,0.0575550915,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Cd-O-V,20.0,AB3C_oP20_62_c_cd_a:Cd-O-V +mp-556857,VCdO3,-7.049248041,-2.0798756482,0.0,-0.012624569,GGA+U,Pnma,AB3C_oP20_62_c_3c_c:Cd-O-V,20.0,AB3C_oP20_62_c_3c_c:Cd-O-V +mp-1016904,VCdO3,-6.763391212,-1.7940188193000002,0.285856829,0.27323226,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-V,5.0,AB3C_cP5_221_a_c_b:Cd-O-V +mp-18847,V2CdO4,-7.7950958457,-2.2411734536,0.0,-0.0401376298,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-O-V,14.0,AB4C2_cF56_227_a_e_d:Cd-O-V +mp-557295,V(SeO3)2,-6.7019596992,-1.6179751111,0.0,-0.0132342139,GGA+U,P4cc,A6B2C_tP72_103_abc5d_2d_abc:O-Se-V,72.0,"Invalid WP multiplicities - A6B2C_tP72_103_2a2b4c37d_8d_2a2b2c:O-Se-V, expected V(SeO5)4 to be V(SeO3)2" +mp-1207892,V3Cd5O12,-6.4472073755,-1.8858857982,0.0534582553,0.0534582553,GGA+U,C2/c,A5B12C3_mC80_15_a2ef_6f_ef:Cd-O-V,40.0,A5B12C3_mC80_15_a2ef_6f_ef:Cd-O-V +mp-1179083,V2CdO10,-6.5186394738,-1.2449787806,0.2667826873,0.2667826873,GGA+U,Cc,AB10C2_mC52_9_a_10a_2a:Cd-O-V,26.0,AB10C2_mC52_9_a_10a_2a:Cd-O-V +mp-1192869,V2CdO10,-6.53149687,-1.2578361767,0.2539252912,0.2539252912,GGA+U,Cc,AB10C2_mC52_9_a_10a_2a:Cd-O-V,26.0,AB10C2_mC52_9_a_10a_2a:Cd-O-V +mp-1193246,V2CdO10,-6.5346941462,-1.2610334529,0.250728015,0.250728015,GGA+U,Cc,AB10C2_mC52_9_a_10a_2a:Cd-O-V,26.0,AB10C2_mC52_9_a_10a_2a:Cd-O-V +mp-541360,V3CdO7,-7.991835307,-2.2826144935,0.0161238343,0.0161238343,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:Cd-O-V,44.0,AB7C3_oP44_62_c_c3d_cd:Cd-O-V +mp-1179420,V3CdO7,-7.9372410298,-2.2280202163,0.0707181116,0.0707181116,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:Cd-O-V,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c4d_cd:Cd-O-V, expected V3CdO9 to be V3CdO7" +mp-18740,V2Cd2O7,-7.0515022391,-2.0841919992,0.0,-0.0355473075,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Cd-O-V,11.0,A2B7C2_mC22_12_h_aij_i:Cd-O-V +mp-29173,V2Se3O11,-6.8585280914,-1.6667079416,0.0,-0.0007616802,GGA+U,P2_1/c,A11B3C2_mP64_14_11e_3e_2e:O-Se-V,64.0,"Invalid WP multiplicities - A11B3C2_mP64_14_14e_3e_2e:O-Se-V, expected V2Se3O14 to be V2Se3O11" +mp-550622,V2CdO6,-7.6026370278,-2.1836554536,0.0,-0.0194539992,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Cd-O-V,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_4i_i:Cd-O-V, expected V2CdO8 to be V2CdO6" +mp-540685,V2CdO6,-7.5857095711,-2.1667279969,0.0169274567,-0.0025265425,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Cd-O-V,9.0,AB6C2_mC18_12_a_3i_i:Cd-O-V +mp-556313,V2CdO6,-7.5600593361,-2.1410777619,0.0425776917,0.0231236925,GGA+U,Pbcn,AB6C2_oP36_60_c_3d_d:Cd-O-V,36.0,"Invalid WP multiplicities - AB6C2_oP36_60_c_14d_d:Cd-O-V, expected V2CdO28 to be V2CdO6" +mp-1198140,V4Cd(SeO6)3,-6.9647762004,-1.7037513821,0.1086511594,0.1086511594,GGA+U,P-1,AB18C3D4_aP52_2_i_18i_3i_4i:Cd-O-Se-V,52.0,AB18C3D4_aP52_2_i_18i_3i_4i:Cd-O-Se-V +mp-1203305,V2Se2O13,-5.9966836462,-0.7339431555,0.6573701307,0.6573701307,GGA+U,C2/c,A13B2C2_mC68_15_e6f_f_f:O-Se-V,34.0,A13B2C2_mC68_15_e6f_f_f:O-Se-V +mp-729904,V2Se2O13,-5.9967630036,-0.7340225129,0.6572907733000001,0.6572907733000001,GGA+U,C2/c,A13B2C2_mC272_15_2e25f_4f_4f:O-Se-V,136.0,A13B2C2_mC272_15_2e25f_4f_4f:O-Se-V +mp-541993,V2Se2O9,-7.1364810627,-1.7764938706,0.0073649658,0.0020745478,GGA+U,P2_1/c,A9B2C2_mP52_14_9e_2e_2e:O-Se-V,52.0,A9B2C2_mP52_14_9e_2e_2e:O-Se-V +mp-1194518,V2Se2O9,-7.1438460285,-1.7838588364,0.0,-0.0052904179,GGA+U,P2_1/c,A9B2C2_mP52_14_9e_2e_2e:O-Se-V,52.0,A9B2C2_mP52_14_9e_2e_2e:O-Se-V +mp-1200595,V4Cd9O19,-6.1909332339,-1.8587858079,0.0007673508,0.0007673508,GGA+U,P1,A9B19C4_aP64_1_18a_38a_8a:Cd-O-V,64.0,A9B19C4_aP64_1_18a_38a_8a:Cd-O-V +mp-561273,V2Cd6Se5O21,-5.8766506107000005,-1.6100279335,0.0100151785,0.0100151785,GGA+U,P2_1/c,A6B21C5D2_mP136_14_6e_21e_5e_2e:Cd-O-Se-V,136.0,"Invalid WP multiplicities - A6B21C5D2_mP136_14_22e_81e_17e_4e:Cd-O-Se-V, expected V4Cd22Se17O81 to be V2Cd6Se5O21" +mp-2236764,MgV28O70,-8.375415254,-2.2924065692,0.0310182916,0.0310182916,GGA+U,P1,AB70C28_aP99_1_a_70a_28a:Mg-O-V,99.0,AB70C28_aP99_1_a_70a_28a:Mg-O-V +mp-2237148,MgV28O70,-8.3785711567,-2.2955624718,0.027862389,0.027862389,GGA+U,P2,AB70C28_mP99_3_c_ab34e_14e:Mg-O-V,99.0,"Invalid WP multiplicities - AB70C28_mP99_3_c_ab68e_28e:Mg-O-V, expected MgV56O138 to be MgV28O70" +mp-2219019,MgV4O8,-8.4973372446,-2.5350746277,0.08521491,0.08521491,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-V,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-V +mp-2218892,MgV4O8,-8.37516405,-2.4129014331,0.2073881046,0.2073881046,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-V,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-V +mp-2218887,MgV4O8,-8.49827292,-2.5360103031,0.0842792346,0.0842792346,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-V,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-V +mp-2218928,MgV4O8,-8.4018230669,-2.43956045,0.1807290877,0.1807290877,GGA+U,P1,AB8C4_aP13_1_a_8a_4a:Mg-O-V,13.0,AB8C4_aP13_1_a_8a_4a:Mg-O-V +mp-2218958,MgV4O8,-8.3862951977,-2.4240325808,0.1962569569,0.1962569569,GGA+U,P-1,AB8C4_aP13_2_a_4i_bcdh:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_aP13_2_a_8i_bcdh:Mg-O-V, expected MgV4O16 to be MgV4O8" +mp-2215871,MgV4O8,-8.3170889062,-2.3548262892,0.2654632485,0.2654632485,GGA+U,P-1,AB8C4_aP13_2_c_4i_abi:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_aP13_2_c_7i_abi:Mg-O-V, expected MgV4O14 to be MgV4O8" +mp-2220837,MgV4O8,-8.4081124162,-2.4458497992,0.1744397385,0.1744397385,GGA+U,C2,AB8C4_mC26_5_a_4c_abc:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_2c2d2e_abc:Mg-O-V, expected MgV4O12 to be MgV4O8" +mp-1388711,MgV4O8,-8.4430410062,-2.4807783892,0.1395111485,0.1395111485,GGA+U,R-3m,AB8C4_hR39_166_a_ch_bd:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Mg-O-V, expected MgV4O14 to be MgV4O8" +mp-2218959,MgV4O8,-8.5047477231,-2.5424851062,0.0778044315,0.0778044315,GGA+U,Pm,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-V,13.0,AB8C4_mP13_6_a_4a4b_2a2b:Mg-O-V +mp-1402263,MgV4O8,-8.4915732385,-2.5293106215,0.0909789162,0.0909789162,GGA+U,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-V,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-V +mp-2219015,MgV4O8,-8.4500519408,-2.4877893238,0.1325002138,0.1325002138,GGA+U,Cm,AB8C4_mC26_8_a_8a_4a:Mg-O-V,13.0,AB8C4_mC26_8_a_8a_4a:Mg-O-V +mp-2215818,MgV4O8,-8.1572092869,-2.19494667,0.4253428677,0.4253428677,GGA+U,Cm,AB8C4_mC26_8_a_4a2b_4a:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_2c2d2e_abc:Mg-O-V, expected MgV4O12 to be MgV4O8" +mp-2218876,MgV4O8,-8.4540269508,-2.4917643338,0.1285252038,0.1285252038,GGA+U,C2/m,AB8C4_mC26_12_b_2ij_acf:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_aP13_2_f_7i_abce:Mg-O-V, expected MgV4O14 to be MgV4O8" +mp-2219135,MgV4O8,-8.4932895738,-2.5310269569,0.0892625808,0.0892625808,GGA+U,C2/m,AB8C4_mC26_12_a_2ij_hi:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_3i2j_hi:Mg-O-V, expected MgV4O14 to be MgV4O8" +mp-2218824,MgV4O8,-8.4200977369,-2.45783512,0.1624544177,0.1624544177,GGA+U,C2/m,AB8C4_mC26_12_a_4i_2i:Mg-O-V,13.0,AB8C4_mC26_12_a_4i_2i:Mg-O-V +mp-2220145,MgV4O8,-8.3570846469,-2.39482203,0.2254675077,0.2254675077,GGA+U,C2/m,AB8C4_mC26_12_a_4i_2i:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_7i_3i:Mg-O-V, expected MgV6O14 to be MgV4O8" +mp-2219121,MgV4O8,-8.4398529292,-2.4775903123000003,0.1426992254,0.1426992254,GGA+U,Amm2,AB8C4_oC26_38_a_ab3c_2c:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_ab4c_4c:Mg-O-V, expected MgV8O10 to be MgV4O8" +mp-2215836,MgV4O8,-8.3813284615,-2.4190658446,0.2012236931,0.2012236931,GGA+U,Amm2,AB8C4_oC26_38_a_2cde_abc:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_2c2d2e_abc:Mg-O-V, expected MgV4O12 to be MgV4O8" +mp-2218845,MgV4O8,-8.3410818177,-2.3788192008,0.2414703369,0.2414703369,GGA+U,Amm2,AB8C4_oC26_38_a_ab3c_2c:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_ab4c_4c:Mg-O-V, expected MgV8O10 to be MgV4O8" +mp-2219258,MgV4O8,-8.1568153438,-2.1945527269,0.4257368108,0.4257368108,GGA+U,Amm2,AB8C4_oC26_38_a_2cde_abc:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_2c2d2e_abc:Mg-O-V, expected MgV4O12 to be MgV4O8" +mp-2218937,MgV4O8,-8.5054509338,-2.5431883169,0.0771012208,0.0771012208,GGA+U,Imm2,AB8C4_oI26_44_a_2c2d_cd:Mg-O-V,13.0,"Invalid WP multiplicities - AB8C4_oI26_44_a_4c4d_2cd:Mg-O-V, expected MgV6O16 to be MgV4O8" +mp-27150,Mg2V2O7,-7.7719131414,-2.6814410306000003,0.0,-0.0147269041,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Mg-O-V,22.0,A2B7C2_aP22_2_2i_7i_2i:Mg-O-V +mp-554767,Mg2V2O7,-7.7706494545,-2.6801773438,0.0012636868,-0.0134632173,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Mg-O-V,44.0,"Invalid WP multiplicities - A2B7C2_mP44_14_4e_28e_6e:Mg-O-V, expected Mg2V3O14 to be Mg2V2O7" +mp-673839,Mg3V2O6,-7.5074181127,-2.7211649711,0.1118426079,0.1118426079,GGA+U,P1,A3B6C2_aP44_1_12a_24a_8a:Mg-O-V,44.0,A3B6C2_aP44_1_12a_24a_8a:Mg-O-V +mp-1275623,Mg2V3O8,-8.0220735392,-2.6354744623,0.0722674696,0.0722674696,GGA+U,P2,A2B8C3_mP26_3_2e_8e_2abc2d:Mg-O-V,26.0,"Invalid WP multiplicities - A2B8C3_mP26_3_3e_14e_2ab2cd:Mg-O-V, expected Mg3V3O14 to be Mg2V3O8" +mp-1309401,Mg2V3O8,-8.0325233358,-2.6459242588,0.0618176731,0.0618176731,GGA+U,P2/m,A2B8C3_mP26_10_mn_2m2n2o_ceil:Mg-O-V,26.0,"Invalid WP multiplicities - A2B8C3_mC26_12_i_2ij_2a2h:Mg-O-V, expected MgV3O4 to be Mg2V3O8" +mp-1290452,Mg2V3O8,-8.0478947342,-2.6612956573,0.0464462746,0.0464462746,GGA+U,C2/m,A2B8C3_mC26_12_i_2ij_ah:Mg-O-V,26.0,"Invalid WP multiplicities - A2B8C3_mC26_12_i_2ij_2a2h:Mg-O-V, expected MgV3O4 to be Mg2V3O8" +mp-1661936,Mg2V3O8,-8.0637599235,-2.6771608465,0.0305810854,0.0305810854,GGA+U,P31c,A2B8C3_hP26_159_2b_ab2c_c:Mg-O-V,26.0,A2B8C3_hP26_159_2b_ab2c_c:Mg-O-V +mp-1662145,Mg2V3O8,-8.0631178362,-2.6765187592,0.0312231727,0.0312231727,GGA+U,P6_3,A2B8C3_hP26_173_2b_ab2c_c:Mg-O-V,26.0,A2B8C3_hP26_173_2b_ab2c_c:Mg-O-V +mp-1042707,Mg2V3O8,-8.0545695773,-2.6679705004,0.0397714315,0.0397714315,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Mg-O-V,26.0,"Invalid WP multiplicities - A2B8C3_hP26_186_2b_a2b3c_c:Mg-O-V, expected Mg2V3O12 to be Mg2V3O8" +mp-30545,Mg2VO4,-7.38046056,-2.7988575579,0.0563877729,0.0563877729,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Mg-O-V,14.0,A2B4C_tI28_141_c_h_b:Mg-O-V +mp-2224735,MgV5O10,-8.5375538406,-2.5071352461,0.0870607334,0.0870607334,GGA+U,P1,AB10C5_aP16_1_a_10a_5a:Mg-O-V,16.0,AB10C5_aP16_1_a_10a_5a:Mg-O-V +mp-2224250,MgV5O10,-8.5216387106,-2.4912201161,0.1029758634,0.1029758634,GGA+U,P1,AB10C5_aP16_1_a_10a_5a:Mg-O-V,16.0,AB10C5_aP16_1_a_10a_5a:Mg-O-V +mp-2224247,MgV5O10,-8.5526106969,-2.5221921023,0.0720038772,0.0720038772,GGA+U,P1,AB10C5_aP16_1_a_10a_5a:Mg-O-V,16.0,AB10C5_aP16_1_a_10a_5a:Mg-O-V +mp-1042943,MgV4O6,-8.51748425,-2.370571832,0.1201517198,0.1201517198,GGA+U,Cmcm,AB6C4_oC44_63_c_ac2f_2f:Mg-O-V,22.0,"Invalid WP multiplicities - AB6C4_oC44_63_c_ac2f_6f:Mg-O-V, expected MgV12O6 to be MgV4O6" +mp-773444,MgV3O7,-8.3378568875,-2.5670551385,0.0479794143,0.0479794143,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:Mg-O-V,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_c3d_c2d:Mg-O-V, expected MgV5O7 to be MgV3O7" +mp-767145,Mg8V5O16,-7.535216359,-2.7983615269,0.0400137853,0.0400137853,GGA+U,P1,A8B16C5_aP29_1_8a_16a_5a:Mg-O-V,29.0,A8B16C5_aP29_1_8a_16a_5a:Mg-O-V +mp-753841,Mg8V5O16,-7.5215910428,-2.7847362107,0.0536391015,0.0536391015,GGA+U,C2/m,A8B16C5_mC58_12_abe2i_4i2j_cj:Mg-O-V,29.0,"Invalid WP multiplicities - A8B16C5_mC58_12_abf3i_7i7j_c2j:Mg-O-V, expected Mg10V9O42 to be Mg8V5O16" +mp-1045734,MgV2O6,-7.9271034222,-2.4328562603,0.0980490278,0.0963307133,GGA+U,P2_1,AB6C2_mP18_4_a_6a_2a:Mg-O-V,18.0,AB6C2_mP18_4_a_6a_2a:Mg-O-V +mp-504510,MgV2O6,-8.02515245,-2.5309052881,0.0,-0.0017183144,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Mg-O-V,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_5i_i:Mg-O-V, expected MgV2O10 to be MgV2O6" +mp-1176494,MgV2O6,-8.0173793844,-2.5231322225,0.0077730656,0.0060547511,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Mg-O-V,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_5i_i:Mg-O-V, expected MgV2O10 to be MgV2O6" +mp-1402929,MgV2O6,-7.4880332122,-1.9937860503,0.5371192378,0.5354009233,GGA+U,Amm2,AB6C2_oC18_38_a_abf_2b:Mg-O-V,9.0,"Invalid WP multiplicities - AB6C2_oC18_38_a_ab2f_2b:Mg-O-V, expected MgV2O10 to be MgV2O6" +mp-1401601,MgV2O6,-8.0019138133,-2.5076666514,0.0232386367,0.0215203222,GGA+U,Amm2,AB6C2_oC18_38_a_abf_ab:Mg-O-V,9.0,AB6C2_oC18_38_a_abf_ab:Mg-O-V +mp-1196870,MgV2O6,-8.0118054561,-2.5175582942,0.0133469939,0.0116286794,GGA+U,Pbcn,AB6C2_oP36_60_c_3d_d:Mg-O-V,36.0,AB6C2_oP36_60_c_3d_d:Mg-O-V +mp-2223715,MgV8O20,-8.3403918497,-2.3677952002,0.0364778803,0.0364778803,GGA+U,Pm,AB20C8_mP29_6_a_10a10b_4a4b:Mg-O-V,29.0,AB20C8_mP29_6_a_10a10b_4a4b:Mg-O-V +mp-2235111,MgV8O20,-8.3367663221,-2.3641696726,0.0401034079,0.0401034079,GGA+U,Pm,AB20C8_mP29_6_a_10a10b_4a4b:Mg-O-V,29.0,AB20C8_mP29_6_a_10a10b_4a4b:Mg-O-V +mp-1079330,MgVO3,-7.695857052,-2.5910066013,0.184720742,0.1508176668,GGA+U,Cmc2_1,AB3C_oC20_36_a_ab_a:Mg-O-V,10.0,AB3C_oC20_63_c_ce_c:Mg-O-V +mp-1370061,MgVO3,-7.7877612565,-2.6829108058,0.0928165375,0.0589134623,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Mg-O-V,20.0,AB3C_oP20_62_c_cd_a:Mg-O-V +mp-27186,MgVO3,-7.880577794,-2.7757273432,0.0,-0.0339030752,GGA+U,Cmcm,AB3C_oC20_63_c_ce_c:Mg-O-V,20.0,AB3C_oC20_63_c_ce_c:Mg-O-V +mp-545348,MgVO3,-7.61839454,-2.5135440892,0.262183254,0.2282801788,GGA+U,Cmmm,AB3C_oC20_65_g_acm_h:Mg-O-V,10.0,"Invalid WP multiplicities - AB3C_oC20_65_g_ac2m_h:Mg-O-V, expected MgVO5 to be MgVO3" +mp-1016886,MgVO3,-7.369989646,-2.2651391953,0.5105881480000001,0.4766850728,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Mg-O-V,5.0,AB3C_cP5_221_a_c_b:Mg-O-V +mp-19034,Mg3V2O8,-7.5716711669,-2.76073563,0.0,-0.021971635,GGA+U,Cmce,A3B8C2_oC52_64_ae_2fg_f:Mg-O-V,26.0,"Invalid WP multiplicities - A3B8C2_oC52_64_ae_3fg_f:Mg-O-V, expected Mg3V2O10 to be Mg3V2O8" +mp-1401652,Mg3V2O8,-7.55251192,-2.7415763831,0.0191592469,-0.0028123881,GGA+U,R-3m,A3B8C2_hR39_166_d_ch_c:Mg-O-V,13.0,"Invalid WP multiplicities - A3B8C2_hR39_166_d_2c2h_c:Mg-O-V, expected Mg3V2O16 to be Mg3V2O8" +mp-33705,Mg9V10O24,-7.909219497,-2.7007983291,0.0705257001,0.0705257001,GGA+U,C2/m,A9B24C10_mC86_12_ae3i_6i3j_bc2ij:Mg-O-V,43.0,"Invalid WP multiplicities - A9B24C10_mC86_12_b2f6i_11i9j_ac4i3j:Mg-O-V, expected Mg17V22O58 to be Mg9V10O24" +mp-972116,VIrO3,-7.200050698,-0.6475694213000001,1.2196272265,1.2196272265,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ir-O-V,5.0,AB3C_cP5_221_b_c_a:Ir-O-V +mp-1367520,Mg2V2O5,-7.6082135928,-2.4857896154,0.2980995813,0.2980995813,GGA+U,Pmc2_1,A2B5C2_oP18_26_2a_2a3b_2b:Mg-O-V,18.0,"Invalid WP multiplicities - A2B5C2_oP18_26_3a_4a6b_4b:Mg-O-V, expected Mg3V4O10 to be Mg2V2O5" +mp-2215949,MgV4O10,-8.2839348127,-2.4570820498,0.0539106807,0.0539106807,GGA+U,P1,AB10C4_aP15_1_a_10a_4a:Mg-O-V,15.0,AB10C4_aP15_1_a_10a_4a:Mg-O-V +mp-2224458,MgV4O10,-8.21945545,-2.3926026872,0.1183900433,0.1183900433,GGA+U,P1,AB10C4_aP15_1_a_10a_4a:Mg-O-V,15.0,AB10C4_aP15_1_a_10a_4a:Mg-O-V +mp-2241458,MgV4O10,-8.1868004187,-2.3599476558,0.1510450747,0.1510450747,GGA+U,P1,AB10C4_aP15_1_a_10a_4a:Mg-O-V,15.0,AB10C4_aP15_1_a_10a_4a:Mg-O-V +mp-2215785,MgV4O10,-8.2731052847,-2.4462525218,0.0647402087,0.0647402087,GGA+U,P-1,AB10C4_aP15_2_a_5i_2i:Mg-O-V,15.0,AB10C4_aP15_2_a_5i_2i:Mg-O-V +mp-2224992,MgV4O10,-8.3213256333,-2.4944728705,0.01651986,0.01651986,GGA+U,P-1,AB10C4_aP15_2_a_5i_2i:Mg-O-V,15.0,"Invalid WP multiplicities - AB10C4_aP15_2_a_9i_4i:Mg-O-V, expected MgV8O18 to be MgV4O10" +mp-2224808,MgV4O10,-8.2503843473,-2.4235315845,0.087461146,0.087461146,GGA+U,Pm,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V,15.0,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V +mp-2224256,MgV4O10,-8.2690231393,-2.4421703765,0.068822354,0.068822354,GGA+U,Pm,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V,15.0,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V +mp-2241454,MgV4O10,-8.102516564,-2.2756638012,0.2353289293,0.2353289293,GGA+U,Pm,AB10C4_mP15_6_a_6a4b_4a:Mg-O-V,15.0,AB10C4_mP15_6_a_6a4b_4a:Mg-O-V +mp-2240924,MgV4O10,-8.2410437607,-2.4141909978,0.0968017327,0.0968017327,GGA+U,Pm,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V,15.0,AB10C4_mP15_6_a_5a5b_2a2b:Mg-O-V +mp-1048695,MgV4O10,-8.2525745447,-2.4257217818,0.0852709487,0.0852709487,GGA+U,Pmm2,AB10C4_oP15_25_a_bc2e2f_ef:Mg-O-V,15.0,"Invalid WP multiplicities - AB10C4_oP15_25_a_bc4e3f_2ef:Mg-O-V, expected MgV6O16 to be MgV4O10" +mp-1048675,MgV4O10,-8.2902657713,-2.4634130085,0.047579722,0.047579722,GGA+U,Amm2,AB10C4_oC30_38_a_ab4c_2c:Mg-O-V,15.0,"Invalid WP multiplicities - AB10C4_oC30_38_a_ab7c_3c:Mg-O-V, expected MgV6O16 to be MgV4O10" +mp-1377792,Mg2VIrO6,-7.3202005845,-2.2398973228,0.1438766001,0.1438766001,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ir-Mg-O-V,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_10e_b:Ir-Mg-O-V, expected Mg2VIrO20 to be Mg2VIrO6" +mp-2234152,MgV6O15,-8.2966561755,-2.3737449419,0.0669098375,0.0669098375,GGA+U,P1,AB15C6_aP22_1_a_15a_6a:Mg-O-V,22.0,AB15C6_aP22_1_a_15a_6a:Mg-O-V +mp-2223927,MgV6O15,-8.2672464736,-2.3443352401,0.0963195393,0.0963195393,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Mg-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Mg-O-V +mp-2234676,MgV6O15,-8.3065871136,-2.3836758801,0.0569788993,0.0569788993,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Mg-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Mg-O-V +mp-2234106,MgV6O15,-8.2897172027,-2.3668059691,0.0738488102,0.0738488102,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Mg-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Mg-O-V +mp-1041375,MgV4O9,-8.390923595,-2.5012019713,0.0851374404,0.0851374404,GGA+U,P4/n,AB9C4_tP28_85_c_a2g_g:Mg-O-V,28.0,AB9C4_tP28_85_c_a2g_g:Mg-O-V +mp-1024068,Mg3VO4,-6.9954215063,-2.7864838731,0.0389980836,0.0389980836,GGA+U,Pm-3m,A3B4C_cP8_221_c_bd_a:Mg-O-V,8.0,"Invalid WP multiplicities - A3B4C_cP8_221_c_b2d_a:Mg-O-V, expected Mg3VO7 to be Mg3VO4" +mp-2217203,MgV3O6,-8.411328015,-2.5581149622,0.0974042441,0.0974042441,GGA+U,P1,AB6C3_aP10_1_a_6a_3a:Mg-O-V,10.0,AB6C3_aP10_1_a_6a_3a:Mg-O-V +mp-2217117,MgV3O6,-8.370704427,-2.5174913742,0.1380278321,0.1380278321,GGA+U,Cm,AB6C3_mC20_8_a_2a2b_ab:Mg-O-V,10.0,AB6C3_mC20_8_a_2a2b_ab:Mg-O-V +mp-1222107,MgV3O8,-8.0944262621,-2.3923005996,0.12615934,0.12615934,GGA+U,C2,AB8C3_mC48_5_c_2a7c_3c:Mg-O-V,24.0,"Invalid WP multiplicities - AB8C3_mC48_5_c_2a9c_3c:Mg-O-V, expected MgV3O10 to be MgV3O8" +mp-37961,MgV3O8,-8.219657015,-2.5175313525,0.0009285871,0.0009285871,GGA+U,P2_1/c,AB8C3_mP48_14_e_8e_3e:Mg-O-V,48.0,"Invalid WP multiplicities - AB8C3_mP48_14_e_32e_11e:Mg-O-V, expected MgV11O32 to be MgV3O8" +mp-766232,MgV3O8,-8.2186152538,-2.5164895912,0.0019703483,0.0019703483,GGA+U,C2/c,AB8C3_mC96_15_f_8f_3f:Mg-O-V,48.0,"Invalid WP multiplicities - AB8C3_mC96_15_f_30f_9f:Mg-O-V, expected MgV9O30 to be MgV3O8" +mp-1211086,MgV8O24,-7.7073870368,-1.8591428647,0.2883325947,0.2883325947,GGA+U,P2_1/c,AB24C8_mP66_14_a_12e_4e:Mg-O-V,66.0,AB24C8_mP66_14_a_12e_4e:Mg-O-V +mp-1046254,MgVO2,-7.4723829644,-2.3279920788,0.2689315353,0.2689315353,GGA+U,P-1,AB2C_aP16_2_2i_4i_2i:Mg-O-V,16.0,"Invalid WP multiplicities - AB2C_aP16_2_2i_7i_3i:Mg-O-V, expected Mg2V3O7 to be MgVO2" +mp-1446296,MgVO2,-7.41529866,-2.2709077744,0.3260158397,0.3260158397,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-V, expected Mg2V3O7 to be MgVO2" +mp-1408789,MgVO2,-7.3368135094,-2.1924226237,0.4045009903,0.4045009903,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-V, expected Mg2V3O7 to be MgVO2" +mp-1392653,MgVO2,-7.4306323894,-2.2862415038,0.3106821103,0.3106821103,GGA+U,C2/m,AB2C_mC32_12_2i_4i_2i:Mg-O-V,16.0,"Invalid WP multiplicities - AB2C_mC32_12_2i_7i_3i:Mg-O-V, expected Mg2V3O7 to be MgVO2" +mp-2210700,MgVO2,-7.4878679325,-2.3434770469,0.2534465672,0.2534465672,GGA+U,R3m,AB2C_hR12_160_a_2a_a:Mg-O-V,4.0,AB2C_hR12_160_a_2a_a:Mg-O-V +mp-1045970,Mg2V9O13,-8.5528814762,-2.3336036439,0.1256228806,0.1256228806,GGA+U,C2/m,A2B13C9_mC48_12_i_a6i_d4i:Mg-O-V,24.0,A2B13C9_mC48_12_i_a6i_d4i:Mg-O-V +mp-2225293,MgV2O4,-8.1584544057,-2.5077619721,0.1989411952,0.1757574487,GGA+U,P1,AB4C2_aP7_1_a_4a_2a:Mg-O-V,7.0,AB4C2_aP7_1_a_4a_2a:Mg-O-V +mp-1333917,MgV2O4,-8.3005638145,-2.6498713809,0.0568317865,0.03364804,GGA+U,Cm,AB4C2_mC112_8_8a_16a8b_8a4b:Mg-O-V,56.0,"Invalid WP multiplicities - AB4C2_mC112_8_8a_16a16b_8a7b:Mg-O-V, expected Mg4V11O24 to be MgV2O4" +mp-1354917,MgV2O4,-8.3046509179,-2.6539584843,0.0527446831,0.0295609366,GGA+U,Cm,AB4C2_mC84_8_6a_12a6b_6a3b:Mg-O-V,42.0,"Invalid WP multiplicities - AB4C2_mC84_8_6a_12a12b_6a6b:Mg-O-V, expected MgV3O6 to be MgV2O4" +mp-1395869,MgV2O4,-8.2216892129,-2.5709967793,0.1357063881,0.1125226416,GGA+U,C2/m,AB4C2_mC28_12_i_4i_2i:Mg-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Mg-O-V, expected MgV3O7 to be MgV2O4" +mp-2225302,MgV2O4,-8.2930296414,-2.6423372079,0.0643659595,0.041182213,GGA+U,C2/m,AB4C2_mC14_12_a_2i_i:Mg-O-V,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_4i_i:Mg-O-V, expected MgV2O8 to be MgV2O4" +mp-1041583,MgV2O4,-8.2701753511,-2.6194829175,0.0872202499,0.0640365034,GGA+U,Pbcm,AB4C2_oP28_57_d_cde_e:Mg-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_57_d_3c3d5e_e:Mg-O-V, expected MgV2O16 to be MgV2O4" +mp-1339741,MgV2O4,-8.2347059,-2.5840134664,0.122689701,0.0995059545,GGA+U,Pmmn,AB4C2_oP28_59_ab_2eg_ce:Mg-O-V,28.0,AB4C2_oP28_59_ab_2eg_ce:Mg-O-V +mp-1376216,MgV2O4,-8.2573435707,-2.6066511371,0.1000520302,0.0768682837,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-O-V,28.0,AB4C2_oP28_62_c_4c_2c:Mg-O-V +mp-1047709,MgV2O4,-8.2503428621,-2.5996504286,0.1070527388,0.0838689923,GGA+U,Cmcm,AB4C2_oC28_63_c_acf_f:Mg-O-V,14.0,AB4C2_oC28_63_c_acf_f:Mg-O-V +mp-1041848,MgV2O4,-8.3085713743,-2.6578789407,0.0488242267,0.0256404802,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Mg-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_hi_2ce:Mg-O-V, expected MgV3O4 to be MgV2O4" +mp-1045532,MgV2O4,-8.1791513007,-2.5284588671,0.1782443002,0.1550605537,GGA+U,Imma,AB4C2_oI28_74_a_hi_bc:Mg-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Mg-O-V, expected MgV4O14 to be MgV2O4" +mp-1040943,MgV2O4,-8.357395601,-2.7067031674,0.0,-0.0231837465,GGA+U,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Mg-O-V,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c16d_a2b8d:Mg-O-V, expected Mg2V9O18 to be MgV2O4" +mp-1041014,MgV2O4,-8.33873745,-2.6880450164000003,0.018658151,-0.0045255955,GGA+U,P3m1,AB4C2_hP42_156_2ab3c_2a2b2c6d_a2b3d:Mg-O-V,42.0,"Invalid WP multiplicities - AB4C2_hP42_156_2ab3c_2a2b2c13d_a2b7d:Mg-O-V, expected Mg2V8O15 to be MgV2O4" +mp-1048900,MgV2O4,-8.3315379164,-2.6808454829,0.0258576845,0.002673938,GGA+U,R3m,AB4C2_hR42_160_2a_2a2b_ab:Mg-O-V,28.0,"Invalid WP multiplicities - AB4C2_hR42_160_2a_2a2b_a2b:Mg-O-V, expected Mg2V7O8 to be MgV2O4" +mp-2225335,MgV2O4,-8.1297328986,-2.479040465,0.2276627024,0.2044789559,GGA+U,P-6m2,AB4C2_hP7_187_a_gh_i:Mg-O-V,7.0,AB4C2_hP7_187_a_gh_i:Mg-O-V +mp-18900,MgV2O4,-8.274984675,-2.6242922414,0.082410926,0.0592271795,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-O-V,14.0,AB4C2_cF56_227_a_e_d:Mg-O-V +mp-1367439,Mg3V2O7,-7.5451676867,-2.7455449143,0.0765679217,0.0765679217,GGA+U,Cmc2_1,A3B7C2_oC48_36_ab_a3b_b:Mg-O-V,24.0,A3B7C2_oC48_36_ab_a3b_b:Mg-O-V +mp-1234451,MgV8O16,-8.551806322000001,-2.4150644024,0.1384256264,0.1384256264,GGA+U,Pm,AB16C8_mP25_6_a_8c_4c:Mg-O-V,25.0,"Invalid WP multiplicities - AB16C8_mP25_6_a_11c_5c:Mg-O-V, expected MgV10O22 to be MgV8O16" +mp-2216842,MgV8O16,-8.564982382,-2.4282404624,0.1252495664,0.1252495664,GGA+U,Pm,AB16C8_mP25_6_a_8c_4c:Mg-O-V,25.0,"Invalid WP multiplicities - AB16C8_mP25_6_a_11c_5c:Mg-O-V, expected MgV10O22 to be MgV8O16" +mp-2228915,MgV5O12,-8.3727125389,-2.4627083758,0.0433062153,0.0433062153,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2229279,MgV5O12,-8.3230066933,-2.4130025303,0.0930120608,0.0930120608,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228354,MgV5O12,-8.3478980028,-2.4378938397,0.0681207514,0.0681207514,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228366,MgV5O12,-8.3234548817,-2.4134507186,0.0925638725,0.0925638725,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228388,MgV5O12,-8.3060750622,-2.3960708992,0.1099436919,0.1099436919,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228983,MgV5O12,-8.3177820439,-2.4077778808,0.0982367103,0.0982367103,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228810,MgV5O12,-8.3228519083,-2.4128477453,0.0931668458,0.0931668458,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2229377,MgV5O12,-8.3229055828,-2.4129014197,0.0931131714,0.0931131714,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228843,MgV5O12,-8.293941180000001,-2.3839370169,0.1220775742,0.1220775742,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Mg-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Mg-O-V +mp-2228416,MgV5O12,-8.2798057433,-2.3698015803,0.1362130108,0.1362130108,GGA+U,C2,AB12C5_mC36_5_a_6c_b2c:Mg-O-V,18.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_12c_b4c:Mg-O-V, expected MgV9O24 to be MgV5O12" +mp-1411095,MgV2O5,-8.1267572138,-2.5640652455,0.1011858044,0.1011858044,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Mg-O-V,16.0,AB5C2_oP16_59_a_b2e_e:Mg-O-V +mp-19003,MgV2O5,-8.2017780938,-2.6390861255,0.0261649244,0.0261649244,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Mg-O-V,16.0,AB5C2_oC32_63_c_c2f_f:Mg-O-V +mp-1366504,TaVZn2O6,-7.752653351,-2.4385230323,0.1031770485,0.1031770485,GGA+U,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Ta-V-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e7f_a_c_3e:O-Ta-V-Zn, expected TaVZn3O18 to be TaVZn2O6" +mp-21860,Ta2VO6,-10.0669608133,-3.1247837469,0.0,-0.0428411567,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Ta-V,36.0,A6B2C_tP18_136_fj_e_a:O-Ta-V +mp-1291967,TaVO4,-9.7917099579,-3.0036368671,0.0381730946,-0.0009768216,GGA+U,C2/m,A4BC_mC48_12_gh4ij_adi_2i:O-Ta-V,24.0,"Invalid WP multiplicities - A4BC_mC48_12_2g2h8i3j_ad2i_2i:O-Ta-V, expected Ta3V2O18 to be TaVO4" +mp-1173107,TaVO4,-9.7946279333,-3.0065548425,0.0352551192,-0.003894797,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Ta-V,12.0,A4BC_oC12_65_gj_a_c:O-Ta-V +mp-755190,TaVO4,-9.8298830525,-3.0418099617,0.0,-0.0391499161,GGA+U,I4_1md,A4BC_tI24_109_2b_a_a:O-Ta-V,12.0,"Invalid WP multiplicities - A4BC_tI24_109_8b_a_a:O-Ta-V, expected TaVO16 to be TaVO4" +mp-1378207,V5ZnO7,-7.7461587396,-1.4918437443,0.7887565934,0.7887565934,GGA+U,Cmcm,A7B5C_oC52_63_c3f_a2f_c:O-V-Zn,26.0,"Invalid WP multiplicities - A7B5C_oC52_63_c3f_a5f_c:O-V-Zn, expected V11ZnO7 to be V5ZnO7" +mp-1044293,V3ZnO7,-8.0391506666,-2.2993067758,0.0564373666,0.0564373666,GGA+U,Pnma,A7B3C_oP44_62_c3d_cd_c:O-V-Zn,44.0,"Invalid WP multiplicities - A7B3C_oP44_62_c3d_c2d_c:O-V-Zn, expected V5ZnO7 to be V3ZnO7" +mp-2235089,V4ZnO10,-8.071024708,-2.2668743745,0.0560426558,0.0560426558,GGA+U,Pm,A10B4C_mP15_6_ab4c_2c_a:O-V-Zn,15.0,"Invalid WP multiplicities - A10B4C_mP15_6_ab7c_3c_a:O-V-Zn, expected V6ZnO16 to be V4ZnO10" +mp-1393378,V4ZnO10,-8.028840264,-2.2246899305,0.0982270998,0.0982270998,GGA+U,Pmm2,A10B4C_oP15_25_bc2e2f_ef_a:O-V-Zn,15.0,"Invalid WP multiplicities - A10B4C_oP15_25_bc4e3f_2ef_a:O-V-Zn, expected V6ZnO16 to be V4ZnO10" +mp-1305834,V4ZnO10,-8.0778277173,-2.2736773838,0.0492396465,0.0492396465,GGA+U,Amm2,A10B4C_oC30_38_ab4c_2c_a:O-V-Zn,15.0,"Invalid WP multiplicities - A10B4C_oC30_38_ab4c_4c_a:O-V-Zn, expected V8ZnO10 to be V4ZnO10" +mp-38131,VZn2O4,-6.5522937604,-2.0679868839,0.0190863618,0.0190863618,GGA+U,Imma,A4BC2_oI28_74_hi_a_ce:O-V-Zn,28.0,A4BC2_oI28_74_hi_a_ce:O-V-Zn +mp-1208695,Ta9V2O25,-9.9266392139,-3.0223328641,0.2121118328,0.2121118328,GGA+U,I4/m,A25B9C2_tI72_87_a6h_b2h_d:O-Ta-V,36.0,A25B9C2_tI72_87_a6h_b2h_d:O-Ta-V +mp-1199959,V8ZnO24,-7.6648901664,-1.8269652803,0.2350212244,0.2350212244,GGA+U,P-1,A24B8C_aP66_2_24i_8i_ae:O-V-Zn,66.0,A24B8C_aP66_2_24i_8i_ae:O-V-Zn +mp-28331,V2Zn4O9,-6.565892524,-2.0507601919,0.01928321,0.01928321,GGA+U,P2_1,A9B2C4_mP60_4_18a_4a_8a:O-V-Zn,60.0,"Invalid WP multiplicities - A9B2C4_mP60_4_20a_4a_8a:O-V-Zn, expected VZn2O5 to be V2Zn4O9" +mp-1408935,V4ZnO8,-8.2540761369,-2.3180086308,0.088076029,0.088076029,GGA+U,Cm,A8B4C_mC26_8_8a_4a_a:O-V-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-V-Zn +mp-1048588,V4ZnO8,-8.1335269785,-2.1974594723,0.2086251874,0.2086251874,GGA+U,Cm,A8B4C_mC26_8_8a_4a_a:O-V-Zn,13.0,A8B4C_mC26_8_8a_4a_a:O-V-Zn +mp-1391777,V4ZnO8,-8.1933401754,-2.2572726692,0.1488119905,0.1488119905,GGA+U,R-3m,A8B4C_hR39_166_ch_bd_a:O-V-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:O-V-Zn, expected V4ZnO14 to be V4ZnO8" +mp-17857,Ta9VO25,-10.1049379863,-3.2629059143,0.0,-0.0154489508,GGA+U,I-4,A25B9C_tI70_82_a6g_b2g_c:O-Ta-V,35.0,"Invalid WP multiplicities - A25B9C_tI70_82_a9g_b3g_c:O-Ta-V, expected Ta13VO37 to be Ta9VO25" +mp-1179996,P2PbO9,-6.5214941744,-1.5998733007,0.2664009073,0.2664009073,GGA,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-P-Pb,48.0,A9B2C_mP48_14_9e_2e_e:O-P-Pb +mp-1209812,P3(PbO3)4,-7.0602510782,-2.2996847447,0.0023572661,0.0023572661,GGA,I-43d,A12B3C4_cI76_220_e_a_c:O-P-Pb,38.0,A12B3C4_cI76_220_e_a_c:O-P-Pb +mp-1180021,P2PbO7,-6.6983866062,-1.7817793,0.4577497495,0.4577497495,GGA,P-1,A7B2C_aP40_2_14i_4i_2i:O-P-Pb,40.0,A7B2C_aP40_2_14i_4i_2i:O-P-Pb +mp-1203776,P2PbO7,-6.9533801975,-2.0367728913,0.2027561583,0.2027561583,GGA,P4_12_12,A7B2C_tP120_92_a10b_3b_ab:O-P-Pb,120.0,A7B2C_tP120_92_a10b_3b_ab:O-P-Pb +mp-1220281,P3Pb5O13,-6.938888056,-2.2193596695,0.0427662248,0.0427662248,GGA,P2_1,A13B3C5_mP42_4_13a_3a_5a:O-P-Pb,42.0,"Invalid WP multiplicities - A13B3C5_mP42_4_25a_6a_8a:O-P-Pb, expected P6Pb8O25 to be P3Pb5O13" +mp-1199839,P3Pb5O13,-6.9168376002,-2.1973092137,0.0648166805,0.0648166805,GGA,P6_3/m,A13B3C5_hP42_176_b2hi_h_fh:O-P-Pb,42.0,A13B3C5_hP42_176_b2hi_h_fh:O-P-Pb +mp-1210036,P3Pb5O13,-6.9424392124,-2.2229108259,0.0392150683,0.0392150683,GGA,P6_3/m,A13B3C5_hP42_176_a2hi_h_fh:O-P-Pb,42.0,A13B3C5_hP42_176_a2hi_h_fh:O-P-Pb +mp-1246857,Sr3Y3N5,-7.1808719991,-1.1672021514,0.1611756814,0.1611756814,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Y,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Y +mp-6606,SrYSi4N7,-8.2325106519,-1.4469182549,0.0012321026,0.0012321026,GGA,P6_3mc,A7B4CD_hP26_186_a2c_ac_b_b:N-Si-Sr-Y,26.0,A7B4CD_hP26_186_a2c_ac_b_b:N-Si-Sr-Y +mp-1029652,Y3Si6N11,-8.6927711593,-1.5101328745,0.0,-0.0402137032,GGA,P4bm,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Y,40.0,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Y +mp-1245518,Sr3YN3,-5.9536575771,-0.7330238274,0.2873714264,0.2873714264,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-Y,14.0,A3B3C_hP14_176_h_h_c:N-Sr-Y +mp-1247263,Sr3Y2N4,-6.7636705333,-1.0584036126,0.1502032172,0.1502032172,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Sr-Y,18.0,A4B3C2_mC36_15_2f_ef_f:N-Sr-Y +mp-1246531,Sr3Y2N4,-6.6912514131,-0.9859844923,0.2226223375,0.2226223375,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Y,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Y +mp-1245467,Y5(SiN3)3,-8.845555889,-1.5728050665,0.0844161197,0.0844161197,GGA,Cmce,A9B3C5_oC136_64_3f3g_e2f_d2fg:N-Si-Y,68.0,A9B3C5_oC136_64_3f3g_e2f_d2fg:N-Si-Y +mp-1018137,KEuS2,-6.7105222825,-1.8004471623,0.0,-0.0050378187,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-K-S,4.0,ABC2_hR12_166_a_b_c:Eu-K-S +mp-680171,KEu2CuS6,-6.450043185,-1.3958123432,0.0454792396,0.0454792396,GGA,Fddd,AB2CD6_oF160_70_e_2e_f_3h:Cu-Eu-K-S,40.0,"Invalid WP multiplicities - AB2CD6_oF160_70_e_4e_f_17h:Cu-Eu-K-S, expected KEu4CuS34 to be KEu2CuS6" +mp-29020,P4SeO6,-6.8277082416,-1.843230626,0.076777713,0.076777713,GGA,P2_1/c,A6B4C_mP44_14_6e_4e_e:O-P-Se,44.0,A6B4C_mP44_14_6e_4e_e:O-P-Se +mp-11008,BaPSe3,-4.8584903975,-1.2944880216,0.0,-0.060381817,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ba-P-Se,20.0,ABC3_mP20_14_e_e_3e:Ba-P-Se +mp-1192881,Ba3P2(SeO)4,-6.2194555642000005,-2.3460762882,0.0094078313,0.0094078313,GGA,P-1,A3B4C2D4_aP26_2_3i_4i_2i_4i:Ba-O-P-Se,26.0,A3B4C2D4_aP26_2_3i_4i_2i_4i:Ba-O-P-Se +mp-571415,Ba3(PSe4)2,-4.8027984825,-1.3758122014,0.0141649733,0.0141649733,GGA,P2_1/c,A3B2C8_mP52_14_3e_2e_8e:Ba-P-Se,52.0,"Invalid WP multiplicities - A3B2C8_mP52_14_8e_5e_31e:Ba-P-Se, expected Ba8P5Se31 to be Ba3(PSe4)2" +mp-29489,P4SeO7,-6.9849726733,-2.0036441331,0.0410031954,0.0410031954,GGA,P-1,A7B4C_aP24_2_7i_4i_i:O-P-Se,24.0,A7B4C_aP24_2_7i_4i_i:O-P-Se +mp-29467,P4(SeO2)3,-6.3985011194,-1.6430336789000002,0.0526868079,0.0526868079,GGA,P2_1/c,A6B4C3_mP52_14_6e_4e_3e:O-P-Se,52.0,"Invalid WP multiplicities - A6B4C3_mP52_14_9e_6e_3e:O-P-Se, expected P2SeO3 to be P4(SeO2)3" +mp-29543,P2SeO3,-6.6017671906,-1.7413367532,0.0630358022,0.0630358022,GGA,P2_1/c,A3B2C_mP48_14_6e_4e_2e:O-P-Se,48.0,"Invalid WP multiplicities - A3B2C_mP48_14_7e_6e_2e:O-P-Se, expected P6Se2O7 to be P2SeO3" +mp-1105128,Ho(Co2B)6,-7.1877572321,-0.3478323355,0.0,-0.0180757439,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Ho,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Ho +mp-5313,HoCo3B2,-7.0524833,-0.5081256672,0.0,-0.0262023614,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Ho,6.0,A2B3C_hP6_191_c_g_a:B-Co-Ho +mp-976597,Ho2Co7B3,-6.99254287,-0.4124414019,0.0037221252,0.0037221252,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Ho,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Ho +mp-19465,HoCo(BO2)5,-8.4385614572,-2.8765277730000003,0.0475694742,0.0475694742,GGA+U,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Co-Ho-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Co-Ho-O +mp-1202390,Ho4CoB13,-6.7271866825,-0.4899618883,0.1061575642,0.1061575642,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Ho,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Ho +mp-1103652,HoCo4B,-6.9274714475,-0.311626144,0.0125752429,0.0125752429,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Ho,12.0,AB4C_hP12_191_c_di_ab:B-Co-Ho +mp-573995,Ho(CoB)2,-7.003994442,-0.5724288417,0.0,-0.0474220907,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Ho,5.0,A2B2C_tI10_139_e_d_a:B-Co-Ho +mp-1188650,Ho(CoB)4,-7.1487218167,-0.5116943574,0.0,-0.0149771544,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Ho,18.0,A4B4C_tP18_137_g_g_a:B-Co-Ho +mp-1189174,Ho3Co11B4,-6.9699578394,-0.3779417595,0.0075677208,0.0075677208,GGA,P6/mmm,A4B11C3_hP18_191_h_cgi_ae:B-Co-Ho,18.0,A4B11C3_hP18_191_h_cgi_ae:B-Co-Ho +mp-1212117,HoCoB4,-7.0058950908,-0.6045127994,0.0,-0.0429037936,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Ho,24.0,A4BC_oP24_55_4h_g_g:B-Co-Ho +mp-1103959,Ho4(CoB2)3,-6.4953247438,-0.3621755523,0.1767839411,0.1767839411,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Ho,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Ho +mp-641703,Li7P3S11,-4.6652923417,-1.0889439549,0.0198831835,0.0198831835,GGA,P-1,A7B3C11_aP42_2_7i_3i_11i:Li-P-S,42.0,"Invalid WP multiplicities - A7B3C11_aP42_2_13i_5i_21i:Li-P-S, expected Li13P5S21 to be Li7P3S11" +mp-985583,Li3PS4,-4.6432519841,-1.1825181623,0.0,-0.0417210472,GGA,Pnma,A3BC4_oP32_62_ad_c_2cd:Li-P-S,32.0,A3BC4_oP32_62_ad_c_2cd:Li-P-S +mp-1097036,Li3PS4,-4.6274190691,-1.1666852473,0.015832915,-0.0258881322,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:Li-P-S,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_cd_c_5c3d:Li-P-S, expected Li3PS11 to be Li3PS4" +mp-2646995,Li3PS4,-4.6358313887,-1.175097567,0.0074205953,-0.0343004519,GGA,I-42m,A3BC4_tI16_121_ad_b_i:Li-P-S,8.0,A3BC4_tI16_121_ad_b_i:Li-P-S +mp-20217,EuPS3,-7.012692678,-1.3967618965,0.0,-0.1285273903,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Eu-P-S,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_6e:Eu-P-S, expected EuPS6 to be EuPS3" +mp-38200,Li2PS3,-4.5818498792,-0.9751002391,0.1214635849,0.1214635849,GGA,Pnma,A2BC3_oP24_62_d_c_cd:Li-P-S,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_d_c_3c3d:Li-P-S, expected Li2PS9 to be Li2PS3" +mp-1222635,Li2PS3,-4.577195875,-0.9704462349,0.1261175891,0.1261175891,GGA,P6_3cm,A2BC3_hP12_185_b_a_c:Li-P-S,12.0,A2BC3_hP12_185_b_a_c:Li-P-S +mp-672252,LiEuPS4,-6.2740741239,-1.3990703181,0.0,-0.0362669269,GGA,I4_1/acd,ABCD4_tI112_142_ab_e_e_2g:Eu-Li-P-S,56.0,"Invalid WP multiplicities - ABCD4_tI112_142_a2b_e_e_16g:Eu-Li-P-S, expected Li2Eu3(PS32)2 to be LiEuPS4" +mp-1001069,Li48P16S61,-4.6105993141,-1.1660826774,0.018961357,0.018961357,GGA,Pm,A48B16C61_mP125_6_24c_4a4b4c_6a7b24c:Li-P-S,125.0,"Invalid WP multiplicities - A48B16C61_mP125_6_48c_4a4b8c_6a7b48c:Li-P-S, expected Li96P24S109 to be Li48P16S61" +mp-1211324,Li7PS6,-4.4015573977,-1.2876672709,0.0325299232,0.0325299232,GGA,Pna2_1,A7BC6_oP56_33_7a_a_6a:Li-P-S,56.0,A7BC6_oP56_33_7a_a_6a:Li-P-S +mp-555948,C37F21,-7.3328376884,-0.7534983515,0.2344405085,0.2344405085,GGA,P1,A37B21_aP116_1_74a_42a:C-F,116.0,A37B21_aP116_1_74a_42a:C-F +mp-683965,C2F,-7.4550919399,-0.6654886224000001,0.2440423916,0.2440423916,GGA,R-3,A2B_hR324_148_12f_6f:C-F,108.0,"Invalid WP multiplicities - A2B_hR324_148_67f_34f:C-F, expected C67F34 to be C2F" +mp-1214425,C12BrF9,-6.74400852,-0.8576301133,0.2747242397,0.2747242397,GGA,Pbca,AB12C9_oP176_61_c_12c_9c:Br-C-F,176.0,AB12C9_oP176_61_c_12c_9c:Br-C-F +mp-1214172,CF,-6.5463047527,-0.9762325227,0.3880639983,0.3880639983,GGA,P2_1/c,AB_mP64_14_8e_8e:C-F,64.0,AB_mP64_14_8e_8e:C-F +mp-1214158,CF,-6.6269087513,-1.0568365213,0.3074599997,0.3074599997,GGA,P6_3/m,AB_hP48_176_4h_2i:C-F,48.0,AB_hP48_176_4h_2i:C-F +mp-1208401,TeC12(BrF5)2,-6.3267298792,-0.8824043537,0.325647513,0.325647513,GGA,P2_1/c,A2B12C10D_mP100_14_2e_12e_10e_e:Br-C-F-Te,100.0,A2B12C10D_mP100_14_2e_12e_10e_e:Br-C-F-Te +mp-1588,C11F7,-7.0775788414,-0.6944858864,0.3666336299,0.3666336299,GGA,C2/m,A11B7_mC72_12_5i3j_i3j:C-F,36.0,A11B7_mC72_12_5i3j_i3j:C-F +mp-644802,C17F5,-7.8858139656,-0.3201454106,0.2999893717,0.2999893717,GGA,P2_1/m,A17B5_mP176_11_4e32f_10f:C-F,176.0,"Invalid WP multiplicities - A17B5_mP176_11_8e125f_36f:C-F, expected C43F12 to be C17F5" +mp-1214333,C6BrF4,-6.6460089945,-0.7759237986,0.2485153429,0.2485153429,GGA,P2_1/c,AB6C4_mP88_14_2e_12e_8e:Br-C-F,88.0,AB6C4_mP88_14_2e_12e_8e:Br-C-F +mp-1200162,C41F14,-7.7808112832,-0.4147023607,0.2798485954,0.2798485954,GGA,C2/c,A41B14_mC440_15_41f_14f:C-F,220.0,A41B14_mC440_15_41f_14f:C-F +mp-559432,CF2,-5.9240127761,-1.5734716336,0.2455903943,0.2455903943,GGA,P-1,AB2_aP18_2_3i_6i:C-F,18.0,"Invalid WP multiplicities - AB2_aP18_2_3i_12i:C-F, expected CF4 to be CF2" +mp-29429,TeCF3,-5.1396272478,-1.5183455901,0.3335635223,0.3335635223,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:C-F-Te,40.0,"Invalid WP multiplicities - AB3C_mP40_14_3e_8e_2e:C-F-Te, expected Te2C3F8 to be TeCF3" +mp-1199402,C9F5,-7.3686868147,-0.753302224,0.221195291,0.221195291,GGA,P2_1,A9B5_mP336_4_108a_60a:C-F,336.0,A9B5_mP336_4_108a_60a:C-F +mp-1204577,Te(CF2)4,-5.5837902385,-1.3261133459,0.4631507246,0.4631507246,GGA,Fd-3c,A4B8C_cF1248_228_2h_4h_g:C-F-Te,312.0,A4B8C_cF1248_228_2h_4h_g:C-F-Te +mp-1214262,C5F6,-6.5095781878,-1.2721053453,0.216218132,0.216218132,GGA,C2/c,A5B6_mC176_15_10f_12f:C-F,88.0,A5B6_mC176_15_10f_12f:C-F +mp-554085,Te(CF4)2,-5.2237876023,-1.8699268188,0.2446579918,0.2446579918,GGA,C2/c,A2B8C_mC132_15_3f_12f_ef:C-F-Te,66.0,"Invalid WP multiplicities - A2B8C_mC132_15_11f_42f_2ef:C-F-Te, expected Te2C11F42 to be Te(CF4)2" +mp-1214300,C3F2,-7.106473881,-0.8046829985,0.2867542182,0.2867542182,GGA,Fdd2,A3B2_oF240_43_9b_6b:C-F,60.0,A3B2_oF240_43_9b_6b:C-F +mp-645316,C7F3,-7.5923617381,-0.5588522031000001,0.2597257095,0.2597257095,GGA,P-1,A7B3_aP200_2_70i_30i:C-F,200.0,A7B3_aP200_2_140i_60i:C-F +mp-1196461,C13F7,-7.3541889441,-0.6865387353,0.2684688293,0.2684688293,GGA,P-1,A13B7_aP240_2_78i_42i:C-F,240.0,A13B7_aP240_2_78i_42i:C-F +mp-1195459,C3F5,-6.1294802142,-1.4740562998,0.2313143513,0.2313143513,GGA,P-1,A3B5_aP64_2_12i_20i:C-F,64.0,A3B5_aP64_2_12i_20i:C-F +mp-1195560,C3F5,-6.1276813066,-1.4722573922,0.233113259,0.233113259,GGA,P2_1/c,A3B5_mP64_14_6e_10e:C-F,64.0,A3B5_mP64_14_6e_10e:C-F +mp-1214216,C18BrF13,-6.8649657731,-0.8487709677,0.2707967802,0.2707967802,GGA,P-1,AB18C13_aP64_2_i_18i_13i:Br-C-F,64.0,AB18C13_aP64_2_i_18i_13i:Br-C-F +mp-1214339,C18BrF13,-6.8650367495,-0.8488419441,0.2707258039,0.2707258039,GGA,Pnma,AB18C13_oP128_62_c_2c8d_c6d:Br-C-F,128.0,AB18C13_oP128_62_c_2c8d_c6d:Br-C-F +mp-28836,TeCF2,-4.96386,-0.9151276698,0.6281299239,0.6281299239,GGA,P2_1,AB2C_mP32_4_4a_8a_4a:C-F-Te,32.0,"Invalid WP multiplicities - AB2C_mP32_4_5a_10a_4a:C-F-Te, expected Te4(CF2)5 to be TeCF2" +mp-1167,CF4,-5.5577907060000005,-2.1828744335,0.0,-1.2387914533,GGA,C2/c,AB4_mC20_15_e_2f:C-F,10.0,AB4_mC20_15_e_2f:C-F +mp-28765,CBr3F,-3.8943620875,-0.7345161975000001,0.0238774444,0.0238774444,GGA,Pnma,A3BC_oP20_62_cd_c_c:Br-C-F,20.0,A3BC_oP20_62_cd_c_c:Br-C-F +mp-1214171,C6F5,-6.8538695793,-0.9511979618,0.2890716027,0.2890716027,GGA,Fdd2,A6B5_oF176_43_6b_5b:C-F,44.0,A6B5_oF176_43_6b_5b:C-F +mp-559902,TeC4(BrF3)2,-5.2262483637,-1.023717723,0.4598918539,0.4598918539,GGA,P-1,A2B4C6D_aP52_2_4i_8i_12i_2i:Br-C-F-Te,52.0,"Invalid WP multiplicities - A2B4C6D_aP52_2_8i_15i_24i_2i:Br-C-F-Te, expected Te2C15(BrF3)8 to be TeC4(BrF3)2" +mp-647169,C10F3,-7.846159019,-0.3060750322,0.3236002851,0.3236002851,GGA,Cc,A10B3_mC312_9_60a_18a:C-F,156.0,"Invalid WP multiplicities - A10B3_mC312_9_120a_35a:C-F, expected C24F7 to be C10F3" +mp-1214136,CBrF2,-5.032746115,-1.3815831756,0.0713279426,0.0713279426,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Br-C-F,16.0,ABC2_mP16_14_e_e_2e:Br-C-F +mp-1247134,MgTiWS4,-6.72228076,-1.1508947937,0.3143468714,0.3143468714,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Ti-W,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Ti-W, expected MgTiWS12 to be MgTiWS4" +mp-1247188,Mg2Ti3WS8,-6.5925733729000005,-1.3828044218,0.1990468511,0.1990468511,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Ti-W,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-Ti-W, expected Mg2Ti3WS16 to be Mg2Ti3WS8" +mp-1247215,Mg2TiW3S8,-6.862259795,-0.9292568135,0.4139335575,0.4139335575,GGA,C2/m,A2B8CD3_mC28_12_i_2ij_c_ae:Mg-S-Ti-W,14.0,"Invalid WP multiplicities - A2B8CD3_mC28_12_i_4i2j_a_ce:Mg-S-Ti-W, expected Mg2TiW3S16 to be Mg2TiW3S8" +mp-1021351,Mg6TiW,-3.48064622,0.3262665983,0.3464618999,0.3464618999,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ti-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ti-W, expected Mg12TiW to be Mg6TiW" +mp-1021384,Mg6TiW,-3.5616454694,0.245267349,0.2654626506,0.2654626506,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ti-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ti-W, expected Mg12TiW to be Mg6TiW" +mp-1026395,Mg14TiW,-2.5451596306,0.1584368035,0.1786578185,0.1786578185,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ti-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ti-W, expected Mg18TiW to be Mg14TiW" +mp-1026385,Mg14TiW,-2.4969570756,0.2066393585,0.2268603735,0.2268603735,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ti-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ti-W, expected Mg26TiW to be Mg14TiW" +mp-1180587,Na4XeO12,-4.0934741787,-0.2883835976,0.3568485893,0.3568485893,GGA,Pbca,A4B12C_oP68_61_2c_6c_a:Na-O-Xe,68.0,A4B12C_oP68_61_2c_6c_a:Na-O-Xe +mp-1198484,Na4XeO12,-4.4165363281,-0.611445747,0.0337864399,0.0337864399,GGA,Pbca,A4B12C_oP68_61_2c_6c_a:Na-O-Xe,68.0,A4B12C_oP68_61_2c_6c_a:Na-O-Xe +mp-1203745,Na4XeO12,-4.1625778918,-0.3574873107,0.2877448762,0.2877448762,GGA,Pbca,A4B12C_oP68_61_2c_6c_a:Na-O-Xe,68.0,A4B12C_oP68_61_2c_6c_a:Na-O-Xe +mp-1181112,Na4XeO14,-4.1992826357,-0.2740238303,0.3032891789,0.3032891789,GGA,Pbcn,A4B14C_oP76_60_2d_2c6d_c:Na-O-Xe,76.0,A4B14C_oP76_60_2d_2c6d_c:Na-O-Xe +mp-1203687,Na4XeO14,-4.2517596333,-0.326500828,0.2508121813,0.2508121813,GGA,Pbcn,A4B14C_oP76_60_2d_2c6d_c:Na-O-Xe,76.0,A4B14C_oP76_60_2d_2c6d_c:Na-O-Xe +mp-1238551,Na4W8XeO6,-6.7594081428,0.5390891968,1.8366757872,1.8366757872,GGA+U,Pbcn,A4B6C8D_oP76_60_2d_2c2d_4d_c:Na-O-W-Xe,76.0,A4B6C8D_oP76_60_2d_2c2d_4d_c:Na-O-W-Xe +mp-27462,AlPS4,-5.2035162467,-0.9194032793,0.0048997783,-0.0466830434,GGA,P222,ABC4_oP12_16_ae_bd_2u:Al-P-S,12.0,ABC4_oP12_16_ae_bd_2u:Al-P-S +mp-1071955,AlPS4,-5.208416025,-0.9243030576,0.0,-0.0515828217,GGA,I222,ABC4_oI12_23_a_b_k:Al-P-S,6.0,ABC4_oI12_23_a_b_k:Al-P-S +mp-1102285,AlPS4,-5.2046425333,-0.920529566,0.0037734917,-0.0478093301,GGA,P-42c,ABC4_tP12_112_a_b_n:Al-P-S,12.0,ABC4_tP12_112_a_b_n:Al-P-S +mp-555538,AlPS4,-4.6588367725,-0.3747238051,0.5495792525000001,0.4979964308,GGA,P4_2/mmc,ABC4_tP12_131_a_c_q:Al-P-S,12.0,ABC4_tP12_131_a_c_q:Al-P-S +mp-1106183,LiAlS2,-5.0133046044,-1.5314549968,0.0,-0.1185764048,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Li-S,16.0,ABC2_oP16_33_a_a_2a:Al-Li-S +mp-1193708,Al2(PS3)3,-5.1840579586,-0.8298359599,0.0208422492,0.0208422492,GGA,C2,A2B3C9_mC56_5_2ac_3c_9c:Al-P-S,28.0,A2B3C9_mC56_5_2ac_3c_9c:Al-P-S +mp-1229103,Al(PS3)2,-5.0535237911,-0.6767593417000001,0.109027112,0.109027112,GGA,C2,AB2C6_mC18_5_a_c_3c:Al-P-S,9.0,"Invalid WP multiplicities - AB2C6_mC18_5_a_c_4c:Al-P-S, expected Al(PS4)2 to be Al(PS3)2" +mp-1198560,LiAlP2,-4.3600600022,-0.2397840747,0.3267285309,0.3267285309,GGA,Ibca,ABC2_oI64_73_f_f_acde:Al-Li-P,32.0,ABC2_oI64_73_f_f_acde:Al-Li-P +mp-1188124,LiAl(PS3)2,-5.079137614,-0.9491573229,0.0,-0.0247134294,GGA,C2/c,ABC2D6_mC40_15_e_e_f_3f:Al-Li-P-S,20.0,ABC2D6_mC40_15_e_e_f_3f:Al-Li-P-S +mp-1041770,As4W3O16,-7.6429115037,-1.7012643867,0.2113777996,0.2113777996,GGA+U,P2_1/c,A4B16C3_mP46_14_2e_8e_ae:As-O-W,46.0,"Invalid WP multiplicities - A4B16C3_mP46_14_5e_29e_ae:As-O-W, expected As10W3O58 to be As4W3O16" +mp-1042755,As2WO7,-7.4496772393,-1.7593584374,0.0713427664,0.0713427664,GGA+U,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-W,40.0,A2B7C_mP40_14_2e_7e_e:As-O-W +mp-1047270,AsWO5,-7.7621204379,-1.7120215534,0.2218549713,0.2218549713,GGA+U,P2_1,AB5C_mP28_4_2a_10a_2a:As-O-W,28.0,AB5C_mP28_4_4a_20a_4a:As-O-W +mp-504532,As2W2O11,-7.8437803862,-1.8672421799,0.0304101162,0.0304101162,GGA+U,Pnma,A2B11C2_oP60_62_2c_7c2d_2c:As-O-W,60.0,"Invalid WP multiplicities - A2B11C2_oP60_62_2c_8c4d_2c:As-O-W, expected AsWO8 to be As2W2O11" +mp-1194840,NaAsW2O9,-7.9471826227,-2.0688670412,0.0075224551,0.0075224551,GGA+U,P2_12_12_1,ABC9D2_oP52_19_a_a_9a_2a:As-Na-O-W,52.0,ABC9D2_oP52_19_a_a_9a_2a:As-Na-O-W +mp-24011,CeHSe,-5.853210325,-1.5793014324,0.0,-0.1426351418,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ce-H-Se,6.0,ABC_hP6_194_c_d_a:Ce-H-Se +mp-625915,Ce(HO)3,-6.5696190943,-2.1480000337,0.0887821429,0.0887821429,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ce-H-O,14.0,AB3C3_hP14_176_c_h_h:Ce-H-O +mp-1199725,CeH(SeO3)2,-6.5419314019,-1.9421543596,0.0827428141,0.0827428141,GGA,Pca2_1,ABC6D2_oP80_29_2a_2a_12a_4a:Ce-H-O-Se,80.0,ABC6D2_oP80_29_2a_2a_12a_4a:Ce-H-O-Se +mp-1220693,Nb2CuCS2,-7.811769385,-0.8445390556,0.0479809293,0.0479809293,GGA,P3m1,ABC2D2_hP6_156_c_a_ab_ab:C-Cu-Nb-S,6.0,ABC2D2_hP6_156_c_a_ab_ab:C-Cu-Nb-S +mp-1102385,CuCS,-4.6336652933,1.1877753831,1.4846001086,1.4846001086,GGA,P4_2/m,ABC_tP12_84_j_j_j:C-Cu-S,12.0,ABC_tP12_84_j_j_j:C-Cu-S +mp-1220428,Nb4Cu(CS2)2,-8.1664286182,-0.9384688652,0.0351893001,0.0351893001,GGA,P3m1,A2BC4D4_hP11_156_2c_a_2a2b_2a2b:C-Cu-Nb-S,11.0,A2BC4D4_hP11_156_2c_a_2a2b_2a2b:C-Cu-Nb-S +mp-532424,KAl11O17,-7.7330732429,-3.3742649268,0.0073268529,-0.005902506,GGA,Cm,A11BC17_mC116_8_14a4b_2a_18a8b:Al-K-O,58.0,"Invalid WP multiplicities - A11BC17_mC116_8_14a8b_2a_18a12b:Al-K-O, expected KAl15O21 to be KAl11O17" +mp-757376,KAl11O17,-7.7266939403,-3.3678856242,0.0137061555,0.0004767966,GGA,Cmcm,A11BC17_oC116_63_a3fh_c_c4f2h:Al-K-O,58.0,"Invalid WP multiplicities - A11BC17_oC116_63_a11f3h_c_2c10f7h:Al-K-O, expected KAl35O50 to be KAl11O17" +mp-863358,KAl11O17,-7.7396150983,-3.3808067821,0.0007849976,-0.0124443614,GGA,Cmcm,A11BC17_oC116_63_a3fh_c_c4f2h:Al-K-O,58.0,"Invalid WP multiplicities - A11BC17_oC116_63_2a8f2h_c_2c9f10h:Al-K-O, expected KAl26O60 to be KAl11O17" +mp-760755,KAl11O17,-7.7335280503,-3.3747197342,0.0068720455,-0.0063573134,GGA,R3m,A11BC17_hR87_160_5a2b_a_5a4b:Al-K-O,29.0,"Invalid WP multiplicities - A11BC17_hR87_160_5a3b_a_5a11b:Al-K-O, expected KAl14O38 to be KAl11O17" +mp-1252068,KAl11O17,-7.7404000959,-3.3815917797,0.0,-0.013229359,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Al-K-O,58.0,"Invalid WP multiplicities - A11BC17_hP58_194_2a6f3k_c_2d2e4f13k:Al-K-O, expected KAl32O92 to be KAl11O17" +mp-778430,K8Al2O7,-5.0566692776,-2.0566007944,0.03040697,0.03040697,GGA,P2_1/c,A2B8C7_mP68_14_2e_8e_7e:Al-K-O,68.0,"Invalid WP multiplicities - A2B8C7_mP68_14_3e_31e_27e:Al-K-O, expected K31Al3O27 to be K8Al2O7" +mp-27140,K2Sb4O11,-6.278431415,-1.9754679634,0.0,-0.0122368665,GGA,C2/m,A2B11C4_mC68_12_2i_g4i3j_2ij:K-O-Sb,34.0,A2B11C4_mC68_12_2i_g4i3j_2ij:K-O-Sb +mp-29696,K4Sb2O3,-4.4902265311,-1.4302638198,0.106426521,0.106426521,GGA,P6_3mc,A4B3C2_hP18_186_2a2b_c_2b:K-O-Sb,18.0,"Invalid WP multiplicities - A4B3C2_hP18_186_3a3b_c_2b:K-O-Sb, expected K6Sb2O3 to be K4Sb2O3" +mp-863387,K6Al32O51,-7.508303341099999,-3.2521017174,0.0582335272,0.0582335272,GGA,Cm,A32B6C51_mC178_8_6a13b_2a2b_9a21b:Al-K-O,89.0,"Invalid WP multiplicities - A32B6C51_mC178_8_6a24b_2a4b_9a42b:Al-K-O, expected K10Al54O93 to be K6Al32O51" +mp-1184936,KAlO3,-6.000558208,-2.0613500258,0.2883469904,0.2883469904,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-K-O,5.0,ABC3_cP5_221_b_a_c:Al-K-O +mp-31001,KSb3O5,-6.0900419528,-1.8421701502,0.0,-0.0297428717,GGA,P2_1/c,AB5C3_mP36_14_e_5e_3e:K-O-Sb,36.0,AB5C3_mP36_14_e_5e_3e:K-O-Sb +mp-1102223,K8SbO3,-3.1894472983,-0.8684257192,0.2145115635,0.2145115635,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:K-O-Sb,12.0,A8B3C_cP12_221_g_c_a:K-O-Sb +mp-554959,K2Al2Sb2O7,-6.5827764931,-2.5368708767,0.0,-0.0463160811,GGA,P-3m1,A2B2C7D2_hP13_164_c_d_ai_d:Al-K-O-Sb,13.0,"Invalid WP multiplicities - A2B2C7D2_hP13_164_c_d_a2i_d:Al-K-O-Sb, expected K2Al2Sb2O13 to be K2Al2Sb2O7" +mp-5525,KAlO2,-6.6026186805,-2.9152806306,0.0,-0.1433763851,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Al-K-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_2c_2c_6c:Al-K-O, expected KAlO3 to be KAlO2" +mp-12807,KAlO2,-6.5986621644,-2.9113241145,0.0039565161,-0.139419869,GGA,P4_12_12,ABC2_tP16_92_a_a_b:Al-K-O,16.0,ABC2_tP16_92_a_a_b:Al-K-O +mp-1084785,KAlO2,-6.536745085,-2.8494070351,0.0658735955,-0.0775027896,GGA,Fd-3m,ABC2_cF32_227_a_b_c:Al-K-O,8.0,ABC2_cF32_227_a_b_c:Al-K-O +mp-10543,K3SbO4,-5.2917740562,-1.8859049405,0.0,-0.1214743911,GGA,P2/c,A3B4C_mP16_13_e2f_2g_e:K-O-Sb,16.0,"Invalid WP multiplicities - A3B4C_mP16_13_e2f_3g_e:K-O-Sb, expected K3SbO6 to be K3SbO4" +mp-1223760,K4Sb2O5,-5.1435916691,-1.7405878669,0.1213687832,0.1071834811,GGA,Amm2,A4B5C2_oC22_38_2a2b_a2c_ab:K-O-Sb,11.0,"Invalid WP multiplicities - A4B5C2_oC22_38_2a2b_a4c_ab:K-O-Sb, expected K4Sb2O9 to be K4Sb2O5" +mp-757850,K4Sb2O5,-5.2649604523,-1.8619566501,0.0,-0.014185302,GGA,Pnma,A4B5C2_oP44_62_4c_c2d_2c:K-O-Sb,44.0,"Invalid WP multiplicities - A4B5C2_oP44_62_15c_4c11d_7c:K-O-Sb, expected K15Sb7O26 to be K4Sb2O5" +mp-9157,K3AlO3,-5.3977115464,-2.2667345743,0.0,-0.0465757159,GGA,C2/m,AB3C3_mC28_12_i_ghi_ij:Al-K-O,14.0,AB3C3_mC28_12_i_ghi_ij:Al-K-O +mp-35893,KAlO,-4.9438298058,-1.6762753097,0.2672451106,0.2672451106,GGA,Cc,ABC_mC24_9_2a_2a_2a:Al-K-O,12.0,"Invalid WP multiplicities - ABC_mC24_9_2a_2a_3a:Al-K-O, expected K2Al2O3 to be KAlO" +mp-17250,K3SbO3,-5.0109154182,-1.8251633875,0.0,-0.0947083086,GGA,P2_13,A3B3C_cP28_198_3a_b_a:K-O-Sb,28.0,"Invalid WP multiplicities - A3B3C_cP28_198_4a_b_a:K-O-Sb, expected K4SbO3 to be K3SbO3" +mp-1223385,KSb5O13,-6.4211023745,-1.8915045643,0.0,-0.0619445299,GGA,P2_1/m,AB13C5_mP38_11_e_e6f_a2f:K-O-Sb,38.0,"Invalid WP multiplicities - AB13C5_mP38_11_e_e12f_a2f:K-O-Sb, expected K(SbO5)5 to be KSb5O13" +mp-557989,K3Sb5O14,-6.2134368838,-1.9757166565,0.0176187481,0.0176187481,GGA,Pba2,A3B14C5_oP88_32_3c_2a13c_5c:K-O-Sb,88.0,"Invalid WP multiplicities - A3B14C5_oP88_32_8c_4a52c_18c:K-O-Sb, expected K4(SbO3)9 to be K3Sb5O14" +mp-12156,K3Sb5O14,-6.2135382183,-1.9758179911,0.0175174135,0.0175174135,GGA,Pbam,A3B14C5_oP88_55_2gh_e2g3h4i_g2hi:K-O-Sb,88.0,"Invalid WP multiplicities - A3B14C5_oP88_55_2gh_e2g4h6i_g2hi:K-O-Sb, expected K3Sb5O19 to be K3Sb5O14" +mp-1211680,K4Al2O,-2.3941211236,0.0172268992,0.8501642222,0.8501642222,GGA,Fd-3m,A2B4C_cF56_227_c_e_a:Al-K-O,14.0,A2B4C_cF56_227_c_e_a:Al-K-O +mp-10417,KSbO2,-5.6705296812,-1.8873352789,0.0,-0.0342825537,GGA,C2/c,AB2C_mC16_15_e_f_e:K-O-Sb,8.0,AB2C_mC16_15_e_f_e:K-O-Sb +mp-635067,KSbO3,-5.157419805,-1.1415265408,0.912558164,0.8103146368,GGA,P-1,AB3C_aP10_2_i_3i_i:K-O-Sb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:K-O-Sb, expected KSbO6 to be KSbO3" +mp-695836,KSbO3,-5.305372768,-1.2894795038,0.7646052010000001,0.6623616738,GGA,P-1,AB3C_aP10_2_i_3i_i:K-O-Sb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:K-O-Sb, expected KSbO6 to be KSbO3" +mp-1180714,KSbO3,-5.254579815,-1.2386865509,0.815398154,0.7131546268000001,GGA,P-1,AB3C_aP10_2_i_3i_i:K-O-Sb,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:K-O-Sb, expected KSbO6 to be KSbO3" +mp-547792,KSbO3,-6.069977969,-2.0540847048,0.0,-0.1022435272,GGA,R-3,AB3C_hR30_148_c_f_c:K-O-Sb,10.0,AB3C_hR30_148_c_f_c:K-O-Sb +mp-14607,KSbO3,-6.0515869183,-2.0356936542,0.0183910507,-0.0838524766,GGA,Pn-3,AB3C_cP60_201_be_fh_g:K-O-Sb,60.0,"Invalid WP multiplicities - AB3C_cP60_201_be_2f3h_g:K-O-Sb, expected KSbO8 to be KSbO3" +mp-16293,KSbO3,-6.025254999,-2.0093617348,0.04472297,-0.0575205572,GGA,Fd-3m,AB3C_cF80_227_c_f_d:K-O-Sb,20.0,AB3C_cF80_227_c_f_d:K-O-Sb +mp-1019803,KAl9O14,-7.6925067356,-3.3560807617,0.0099673131,0.0099673131,GGA,P2_1/c,A9BC14_mP48_14_a4e_b_7e:Al-K-O,48.0,A9BC14_mP48_14_a4e_b_7e:Al-K-O +mp-725525,K2Al2O7,-5.6813239305,-1.6505266093,0.4935036381,0.4935036381,GGA,Aea2,A2B2C7_oC44_41_b_b_a3b:Al-K-O,22.0,A2B2C7_oC44_41_b_b_a3b:Al-K-O +mp-1113039,Cs2KNdI6,-3.395755467,-1.7448005446,0.0011356095,0.0011356095,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Nd,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Nd +mp-1214491,BaIBr,-4.0399462517,-2.3914897117,0.0,-0.0309240638,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Br-I,12.0,ABC_oP12_62_c_c_c:Ba-Br-I +mp-1228711,Ba10IBr4N5,-4.8124859595,-1.3846007748,0.0018752705,-0.0105419884,GGA,P-1,A10B4CD5_aP20_2_5i_2i_b_e2i:Ba-Br-I-N,20.0,"Invalid WP multiplicities - A10B4CD5_aP20_2_10i_3i_b_e4i:Ba-Br-I-N, expected Ba20I(Br2N3)3 to be Ba10IBr4N5" +mp-1228784,Ba10IBr4N5,-4.81436123,-1.3864760452,0.0,-0.0124172589,GGA,R-3m,A10B4CD5_hR60_166_5c_2c_a_b2c:Ba-Br-I-N,20.0,"Invalid WP multiplicities - A10B4CD5_hR60_166_10c_3c_a_b3c:Ba-Br-I-N, expected Ba20IBr6N7 to be Ba10IBr4N5" +mp-1204482,Cs2CrH4F10,-5.0371946585,-2.4413390074,0.0,-0.0491393163,GGA+U,P2_1/c,AB2C10D4_mP34_14_a_e_5e_2e:Cr-Cs-F-H,34.0,AB2C10D4_mP34_14_a_e_5e_2e:Cr-Cs-F-H +mp-1112289,K2AgAuF6,-3.994064886,-2.0144539158,0.07191194,0.07191194,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Au-F-K +mp-1060884,UCd,-5.69686813,0.410281755,0.410281755,0.410281755,GGA,R3m,AB_hR6_160_a_a:Cd-U,2.0,AB_hR6_160_a_a:Cd-U +mp-1187642,U3Cd,-8.2120582775,0.48722167,0.48722167,0.48722167,GGA,Fm-3m,AB3_cF16_225_a_bc:Cd-U,4.0,AB3_cF16_225_a_bc:Cd-U +mp-754725,UCd3O6,-6.6567862775,-2.2827651218,0.0152200055,0.0152200055,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Cd-O-U,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_2a2e_9e_b:Cd-O-U, expected UCd6O18 to be UCd3O6" +mp-686037,U7Cd3O20,-9.2700275647,-3.2452837788,0.057660087,0.057660087,GGA,C2/m,A3B20C7_mC60_12_cg_2i4j_bg2h:Cd-O-U,30.0,"Invalid WP multiplicities - A3B20C7_mC60_12_cg_3i11j_a2g4h:Cd-O-U, expected U13Cd3O50 to be U7Cd3O20" +mp-1187692,UCd3,-3.2432568325,0.27176299,0.27176299,0.27176299,GGA,Fm-3m,A3B_cF16_225_ac_b:Cd-U,4.0,A3B_cF16_225_ac_b:Cd-U +mp-1188876,Sr2UCdO6,-7.6832103345,-3.1558684401,0.0100742575,0.0100742575,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Cd-O-Sr-U,20.0,AB6C2D_mP20_14_a_3e_e_b:Cd-O-Sr-U +mp-545598,UCdO4,-8.2532525083,-2.9197434058,0.0,-0.0418194817,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Cd-O-U,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2g2j_c:Cd-O-U, expected UCdO8 to be UCdO4" +mp-14000,UCdO4,-8.2016559,-2.8681467975,0.0515966083,0.0097771267,GGA,R-3m,AB4C_hR18_166_a_2c_b:Cd-O-U,6.0,AB4C_hR18_166_a_2c_b:Cd-O-U +mp-1006058,UCd2O5,-7.244148255,-2.5103191192,0.0208253625,0.0208253625,GGA,C2/c,A2B5C_mC32_15_f_e2f_a:Cd-O-U,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_f_2e6f_c:Cd-O-U, expected UCd2O14 to be UCd2O5" +mp-556233,KAs4ClO6,-6.0097510275,-1.7367892363,0.0,-0.0022102571,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-Cl-K-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-Cl-K-O +mp-1190686,HgPO4,-5.9241131333,-1.6734901806,0.1366323201,0.1366323201,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Hg-O-P,24.0,AB4C_aP24_2_2i_8i_2i:Hg-O-P +mp-1192372,HgPO4,-5.6988813033,-1.4482583506,0.3618641501,0.3618641501,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Hg-O-P,24.0,AB4C_mP24_14_e_4e_e:Hg-O-P +mp-1190352,HgP2PdO7,-6.5899516282,-1.9593163403,0.0,-0.012859645,GGA,C2/c,AB7C2D_mC44_15_c_e3f_f_a:Hg-O-P-Pd,22.0,AB7C2D_mC44_15_a_e3f_f_c:Hg-O-P-Pd +mp-1192405,HgP2(PdO4)2,-6.4558458662,-1.758649044,0.0208436365,0.0208436365,GGA,Fddd,AB8C2D2_oF104_70_a_2h_e_d:Hg-O-P-Pd,26.0,AB8C2D2_oF104_70_a_2h_e_d:Hg-O-P-Pd +mp-12199,Hg3(PO4)2,-5.7491975971,-1.8021856126,0.0,-0.0330433865,GGA,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:Hg-O-P,52.0,A3B8C2_mP52_14_3e_8e_2e:Hg-O-P +mp-28455,Hg2P2O7,-6.1620233391,-1.9746790916,0.0,-0.0095033272,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Hg-O-P,22.0,A2B7C2_aP22_2_2i_7i_2i:Hg-O-P +mp-1184786,Hg2P2O7,-6.1373529518,-1.9500087044,0.0246703873,0.0151670601,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Hg-O-P,22.0,A2B7C2_aP22_2_2i_7i_2i:Hg-O-P +mp-1213487,Hg2P4PdO8,-5.9695576613,-1.5019601776,0.3744674521,0.3744674521,GGA,Fddd,A2B8C4D_oF120_70_c_2h_h_b:Hg-O-P-Pd,30.0,A2B8C4D_oF120_70_c_2h_h_b:Hg-O-P-Pd +mp-1192966,Hg2PO4,-5.1919303004,-1.5051562887,0.188061886,0.188061886,GGA,C2/c,A2B4C_mC56_15_2f_4f_2e:Hg-O-P,28.0,A2B4C_mC56_15_2f_4f_2e:Hg-O-P +mp-1025302,HgPPd5,-4.8874384114,-0.370810994,0.0,-0.0335449061,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Hg-P-Pd,7.0,ABC5_tP7_123_c_b_ai:Hg-P-Pd +mp-29958,Hg7(PO5)2,-4.6879648905,-1.40274096,0.0,-0.0060854974,GGA,P2_1/c,A7B10C2_mP38_14_a3e_5e_e:Hg-O-P,38.0,A7B10C2_mP38_14_a3e_5e_e:Hg-O-P +mp-29710,Hg4P2O7,-5.31946121,-1.7296037137,0.0,-0.0348425114,GGA,P2/c,A4B7C2_mP26_13_2g_e3g_g:Hg-O-P,26.0,A4B7C2_mP26_13_2g_e3g_g:Hg-O-P +mp-29709,Hg3PO4,-4.7696908787000005,-1.5058035729,0.010342515,-0.0136832647,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:Hg-O-P,32.0,"Invalid WP multiplicities - A3B4C_mP32_14_4e_7e_e:Hg-O-P, expected Hg4PO7 to be Hg3PO4" +mp-554914,Hg3PO4,-4.7800333938,-1.5161460879000002,0.0,-0.0240257797,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:Hg-O-P,32.0,"Invalid WP multiplicities - A3B4C_mP32_14_11e_12e_e:Hg-O-P, expected Hg11PO12 to be Hg3PO4" +mp-542054,Hg9(PO4)4,-5.2005867619,-1.6304711518,0.0138995506,0.0138995506,GGA,R3c,A9B16C4_hR174_161_3b_a5b_ab:Hg-O-P,58.0,A9B16C4_hR174_161_3b_a5b_ab:Hg-O-P +mp-15994,Hg(PO3)2,-6.7350968332,-2.2006059837,0.0,-0.0450587018,GGA,Pbca,AB6C2_oP72_61_c_6c_2c:Hg-O-P,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_9c_2c:Hg-O-P, expected HgP2O9 to be Hg(PO3)2" +mp-1018737,KMgP,-3.35476738,-0.6467735454,0.0,-0.1795096537,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Mg-P,6.0,ABC_tP6_129_c_a_c:K-Mg-P +mp-11643,K2Mg(PSe3)2,-4.2187920936,-0.9803237461,0.0,-0.0004509759,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:K-Mg-P-Se,22.0,A2BC2D6_mP22_14_e_a_e_3e:K-Mg-P-Se +mp-1207244,K2MgP2,-2.370618008,0.5589185835,1.111961154,1.111961154,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Mg-P,5.0,A2BC2_tP5_123_g_a_g:K-Mg-P +mp-1247024,Mg2Sc3WS8,-6.5911310400000005,-1.71629557,0.1411992329,0.1411992329,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sc-W,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sc-W, expected Mg2Sc3WS22 to be Mg2Sc3WS8" +mp-1247207,MgScWS4,-6.7061988621,-1.3581018832,0.2872743443,0.2872743443,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sc-W,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sc-W, expected MgScWS12 to be MgScWS4" +mp-1247153,Mg2ScW3S8,-7.017579775,-1.1962212871,0.237036365,0.237036365,GGA,R3m,A2B8CD3_hR42_160_2a_2a2b_a_b:Mg-S-Sc-W,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_160_2a_2a3b_a_b:Mg-S-Sc-W, expected Mg2ScW3S11 to be Mg2ScW3S8" +mp-557935,Dy2Cu(BO2)8,-8.3506236409,-2.9471075707,0.0176873431,0.0176873431,GGA,P2_1/c,A8BC2D16_mP54_14_4e_a_e_8e:B-Cu-Dy-O,54.0,"Invalid WP multiplicities - A8BC2D16_mP54_14_11e_a_e_29e:B-Cu-Dy-O, expected Dy2Cu(B11O29)2 to be Dy2Cu(BO2)8" +mp-10914,K3Cu5O4,-4.732836809,-1.098338056,0.0,-0.0181901858,GGA,P2_1/c,A5B3C4_mP48_14_5e_3e_4e:Cu-K-O,48.0,"Invalid WP multiplicities - A5B3C4_mP48_14_6e_3e_6e:Cu-K-O, expected K(CuO)2 to be K3Cu5O4" +mp-541373,KTa3CuO9,-9.0021025702,-2.9090213624,0.0146814568,0.0146814568,GGA,Pmna,ABC9D3_oP56_53_ab_h_fg3h2i_gi:Cu-K-O-Ta,56.0,ABC9D3_oP56_53_ab_h_fg3h2i_gi:Cu-K-O-Ta +mp-1021659,K2CuO2,-3.793246742,-0.5505703447,0.7916652922,0.7916652922,GGA,I4/mmm,AB2C2_tI10_139_a_d_c:Cu-K-O,5.0,AB2C2_tI10_139_a_d_c:Cu-K-O +mp-28273,K3CuO2,-4.1860128229,-1.2987160007,0.0,-0.0619643508,GGA,P4_12_12,AB3C2_tP48_92_b_2a2b_2b:Cu-K-O,48.0,"Invalid WP multiplicities - AB3C2_tP48_92_b_2a5b_2b:Cu-K-O, expected K6CuO2 to be K3CuO2" +mp-1188268,K3(CuO2)2,-4.8508448417,-1.3712487277,0.0,-0.0179089515,GGA,Cmcm,A2B3C4_oC36_63_ac_cf_h:Cu-K-O,18.0,A2B3C4_oC36_63_ac_cf_h:Cu-K-O +mp-3982,KCuO2,-5.1563974237,-1.3806516639,0.0,-0.1724832793,GGA,Cmcm,ABC2_oC16_63_c_c_f:Cu-K-O,8.0,ABC2_oC16_63_c_c_f:Cu-K-O +mp-1103519,KCuO,-4.6096085075,-1.2241770647,0.0010435833,-0.0590463606,GGA,I-4m2,ABC_tI24_119_g_i_i:Cu-K-O,12.0,ABC_tI24_119_g_i_i:Cu-K-O +mp-7911,KCuO,-4.6106520908,-1.2252206481,0.0,-0.0600899439,GGA,I4/mmm,ABC_tI24_139_h_i_j:Cu-K-O,12.0,ABC_tI24_139_h_i_j:Cu-K-O +mp-1009020,KCuO,-3.7518208433,-0.3663894006,0.8588312475000001,0.7987413036000001,GGA,F-43m,ABC_cF12_216_a_b_c:Cu-K-O,3.0,ABC_cF12_216_a_b_c:Cu-K-O +mp-625788,La(HO)3,-6.5147898764,-2.2356111088,0.0024014557,-0.0021367125,GGA,P1,A3BC3_aP14_1_6a_2a_6a:H-La-O,14.0,A3BC3_aP14_1_6a_2a_6a:H-La-O +mp-625394,La(HO)3,-6.5171913321,-2.2380125645,0.0,-0.0045381682,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:H-La-O,14.0,A3BC3_hP14_176_h_c_h:H-La-O +mp-673301,La(HO)3,-6.5132597464,-2.2340809788,0.0039315857,-0.0006065825,GGA,Pm,A3BC3_mP14_6_3a3b_ab_3a3b:H-La-O,14.0,A3BC3_mP14_6_3a3b_ab_3a3b:H-La-O +mp-625406,La(HO)3,-6.5147934714,-2.2356147038,0.0023978607,-0.0021403075,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:H-La-O,14.0,"Invalid WP multiplicities - A3BC3_mP14_11_6e_e_6e:H-La-O, expected La(HO)6 to be La(HO)3" +mp-772193,La(HO)3,-6.4527732848,-2.1735945171,0.0644180473,0.0598798791,GGA,P2_1/c,A3BC3_mP56_14_6e_2e_6e:H-La-O,56.0,"Invalid WP multiplicities - A3BC3_mP56_14_23e_5e_23e:H-La-O, expected La5(HO)23 to be La(HO)3" +mp-768658,La(HO)3,-6.4326103918,-2.1534316241,0.0845809404,0.0800427721,GGA,P2_1/c,A3BC3_mP28_14_3e_e_3e:H-La-O,28.0,"Invalid WP multiplicities - A3BC3_mP28_14_9e_e_9e:H-La-O, expected La(HO)9 to be La(HO)3" +mp-625733,La(HO)3,-6.5170174957,-2.237838728,0.0001738364,-0.0043643318,GGA,P6_3,A3BC3_hP14_173_c_b_c:H-La-O,14.0,A3BC3_hP14_173_c_b_c:H-La-O +mp-24050,LaCrHO5,-7.7297782891,-2.390375267,0.0,-0.058977421,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Cr-H-La-O,32.0,ABCD5_mP32_14_e_e_e_5e:Cr-H-La-O +mp-28255,LaHO,-6.9365212333,-2.5113806129,0.0,-0.047347696,GGA,P4/nmm,ABC_tP24_129_i_ace_i:H-La-O,24.0,ABC_tP24_129_i_ace_i:H-La-O +mp-626724,LaHO2,-7.5025673212,-2.9470396781,0.0,-0.0269879853,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:H-La-O,8.0,ABC2_mP8_11_e_e_2e:H-La-O +mp-31259,Bi(IO3)3,-5.0833593337,-1.0232988274,0.0,-0.0085634334,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Bi-I-O,52.0,AB3C9_mP52_14_e_3e_9e:Bi-I-O +mp-1207151,Bi2I2O,-3.61900332,-0.5041233858,0.5363667402,0.5363667402,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Bi-I-O,5.0,A2B2C_tP5_123_g_g_a:Bi-I-O +mp-540977,Bi5IO7,-5.8543524535,-1.6003037628,0.0029748168,0.0029748168,GGA,C2/m,A5BC7_mC52_12_5i_i_7i:Bi-I-O,26.0,A5BC7_mC52_12_5i_i_7i:Bi-I-O +mp-554445,Bi5IO7,-5.8549372538,-1.6008885632,0.0023900164,0.0023900164,GGA,Ibca,A5BC7_oI104_73_c2f_c_d3f:Bi-I-O,52.0,"Invalid WP multiplicities - A5BC7_oI104_73_4c10f_c_4d19f:Bi-I-O, expected Bi24IO42 to be Bi5IO7" +mp-1195262,AgBi(IO3)4,-4.9367632717,-0.9408313234,0.0,-0.000105051,GGA,Cc,ABC4D12_mC144_9_2a_2a_8a_24a:Ag-Bi-I-O,72.0,ABC4D12_mC144_9_2a_2a_8a_24a:Ag-Bi-I-O +mp-1204764,Bi2I4O13,-5.2032436155,-1.1042227257,0.0,-0.008322663,GGA,P2_12_12_1,A2B4C13_oP76_19_2a_4a_13a:Bi-I-O,76.0,A2B4C13_oP76_19_2a_4a_13a:Bi-I-O +mp-1191266,BiIO4,-5.4366377933,-1.2532027392,0.0,-0.0327121098,GGA,Pca2_1,ABC4_oP24_29_a_a_4a:Bi-I-O,24.0,ABC4_oP24_29_a_a_4a:Bi-I-O +mp-1194377,BiI3O11,-4.7802152693,-0.6019376691,0.2849213147,0.2849213147,GGA,P-1,AB3C11_aP30_2_i_3i_11i:Bi-I-O,30.0,AB3C11_aP30_2_i_3i_11i:Bi-I-O +mp-22987,BiIO,-4.7889361883,-1.3687547913,0.0,-0.0342451402,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-I-O,6.0,ABC_tP6_129_c_c_a:Bi-I-O +mp-30130,Bi4I2O5,-5.4357041725,-1.522783011,0.0,-0.0168582636,GGA,P2_1,A4B2C5_mP44_4_8a_4a_10a:Bi-I-O,44.0,"Invalid WP multiplicities - A4B2C5_mP44_4_8a_5a_11a:Bi-I-O, expected Bi8I5O11 to be Bi4I2O5" +mp-1196472,Pr2US5,-7.3433370553,-2.1514031985,0.0,-0.0395655972,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pr-S-U,32.0,A2B5C_oP32_62_d_3cd_c:Pr-S-U +mp-1219855,PrThUS5,-7.6524117109,-2.1313587923,0.0429119275,0.0429119275,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Pr-S-Th-U,32.0,AB5CD_oP32_19_a_5a_a_a:Pr-S-Th-U +mp-1217265,ThUS2,-8.57027291,-1.8257309116,0.03407667,0.03407667,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:S-Th-U,4.0,A2BC_tP4_123_ad_b_c:S-Th-U +mp-1217311,ThUS2,-8.592587485,-1.8480454866,0.011762095,0.011762095,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Th-U,4.0,A2BC_hR12_166_c_a_b:S-Th-U +mp-1217436,ThU2S5,-8.2496919738,-1.9148260232,0.0654017909,0.0654017909,GGA,Pna2_1,A5BC2_oP32_33_5a_a_2a:S-Th-U,32.0,"Invalid WP multiplicities - A5BC2_oP32_33_10a_a_2a:S-Th-U, expected Th(US5)2 to be ThU2S5" +mp-1219823,PrU2S5,-7.938233765,-1.9324868763,0.0214016814,0.0214016814,GGA,Pna2_1,AB5C2_oP32_33_a_5a_2a:Pr-S-U,32.0,"Invalid WP multiplicities - AB5C2_oP32_33_a_10a_2a:Pr-S-U, expected Pr(US5)2 to be PrU2S5" +mp-675336,Pr10US16,-6.9046997011,-2.2645639444,0.0369456094,0.0369456094,GGA,P-4,A10B16C_tP27_81_g2h_4h_a:Pr-S-U,27.0,"Invalid WP multiplicities - A10B16C_tP27_81_2g5h_14h_a:Pr-S-U, expected Pr24US56 to be Pr10US16" +mp-1202577,Pr2ThS5,-7.0755535122,-2.3683136254,0.0,-0.0260364559,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Pr-S-Th,32.0,A2B5C_oP32_62_d_3cd_c:Pr-S-Th +mp-1219726,PrUS2,-8.0031781975,-1.9168743228,0.02865757,0.02865757,GGA,R-3m,AB2C_hR12_166_a_c_b:Pr-S-U,4.0,AB2C_hR12_166_a_c_b:Pr-S-U +mp-754826,CsScO2,-7.26076491,-2.9804526851,0.0,-0.001469378,GGA,Fd-3m,AB2C_cF32_227_b_c_a:Cs-O-Sc,8.0,AB2C_cF32_227_b_c_a:Cs-O-Sc +mp-1213174,CsSc(WO4)2,-8.6556150067,-2.5958115377,0.0031742158,-0.014784213,GGA+U,C2/m,AB8CD2_mC24_12_a_2ij_c_i:Cs-O-Sc-W,12.0,AB8CD2_mC24_12_a_2ij_d_i:Cs-O-Sc-W +mp-1213157,CsSc(WO4)2,-8.6587892225,-2.5989857536,0.0,-0.0179584289,GGA+U,P-3m1,AB8CD2_hP12_164_a_di_b_d:Cs-O-Sc-W,12.0,AB8CD2_hP12_164_a_di_b_d:Cs-O-Sc-W +mp-756505,Cs3ScO3,-5.6745119364,-2.2661201714,0.0053540571,-0.0534097336,GGA,C2/m,A3B3C_mC28_12_ghi_ij_i:Cs-O-Sc,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_gh2i_2ij_i:Cs-O-Sc, expected Cs4ScO4 to be Cs3ScO3" +mp-768976,Cs3ScO3,-5.6798659936,-2.2714742286,0.0,-0.0587637907,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Cs-O-Sc,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:Cs-O-Sc, expected Cs9ScO9 to be Cs3ScO3" +mp-1178539,Cs3ScO3,-5.6659457521,-2.2575539871,0.0139202414,-0.0448435493,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Cs-O-Sc,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_11e_9e_e:Cs-O-Sc, expected Cs11ScO9 to be Cs3ScO3" +mp-1201854,Tl4Cu3(B9O22)2,-6.9564845871,-1.7444331702,0.3316306194,0.3316306194,GGA,Amm2,A18B3C44D4_oC138_38_c4f_ae_2cde9f_de:B-Cu-O-Tl,69.0,A18B3C44D4_oC138_38_c4f_ae_2cde9f_de:B-Cu-O-Tl +mp-1208360,TbTl(WO4)2,-8.5481651129,-2.5076001632,0.0,-0.0402656449,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Tb-Tl-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Tb-Tl-W +mp-1213309,ErTlS2O9,-6.6345205637,-2.0404082489,0.1950910306,0.1950910306,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Er-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Er-O-S-Tl +mp-8762,Er2S2O,-7.4458338575,-2.9748286445,0.0128109543,0.0128109543,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Er-O-S,20.0,A2BC2_mP20_14_2e_e_2e:Er-O-S +mp-1197221,Er2S3O20,-5.9716722384,-1.1525297806,0.6641342537,0.6641342537,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Er-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Er-O-S +mp-9841,Er2(SO4)3,-7.4306854478,-2.6715647563,0.0,-0.3639066684,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Er-O-S,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_7d_cd:Er-O-S, expected Er2S3O14 to be Er2(SO4)3" +mp-12671,Er2SO2,-8.241847704,-3.6087947221,0.0,-0.0924516633,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Er-O-S,5.0,A2B2C_hP5_164_d_d_a:Er-O-S +mp-6388,Ca4SmB3O10,-7.9452428011,-3.3760179078,0.0,-0.0154754953,GGA,Cm,A3B4C10D_mC36_8_ab_2b_2a4b_a:B-Ca-O-Sm,18.0,"Invalid WP multiplicities - A3B4C10D_mC36_8_ab_2b_2a5b_a:B-Ca-O-Sm, expected Ca4Sm(BO4)3 to be Ca4SmB3O10" +mp-1227050,CaSmB12,-6.6449841336,-0.4394921861,0.0,-0.0080888136,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Ca-Sm,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Ca-Sm, expected CaSmB32 to be CaSmB12" +mp-36381,Sn(PS3)2,-5.00829925,-0.6022019089,0.0,-0.0117911328,GGA,R3,A2B6C_hR27_146_2a_2b_a:P-S-Sn,9.0,A2B6C_hR27_146_2a_2b_a:P-S-Sn +mp-6057,TlSnPS4,-4.7294765293,-0.6821455327,0.0,-0.0131547269,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:P-S-Sn-Tl,28.0,AB4CD_oP28_33_a_4a_a_a:P-S-Sn-Tl +mp-13923,SnPS3,-5.017023448,-0.6505786555,0.0,-0.0500363499,GGA,Pc,AB3C_mP20_7_2a_6a_2a:P-S-Sn,20.0,AB3C_mP20_7_2a_6a_2a:P-S-Sn +mp-1080140,SnPS3,-4.971368081,-0.6049232885,0.045655367,-0.0043809829,GGA,C2/m,AB3C_mC20_12_i_ij_g:P-S-Sn,10.0,AB3C_mC20_12_i_ij_g:P-S-Sn +mp-4252,SnPS3,-5.009987266,-0.6435424735,0.007036182,-0.0430001679,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:P-S-Sn,20.0,AB3C_mP20_14_e_3e_e:P-S-Sn +mp-1079752,SnPS3,-4.971396911,-0.6049521185,0.045626537,-0.0044098129,GGA,R-3,AB3C_hR30_148_c_f_c:P-S-Sn,10.0,AB3C_hR30_148_c_f_c:P-S-Sn +mp-867967,La3AlVS7,-6.7875230013,-2.0714686443,0.0,-0.0031576026,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-V,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-La-S-V +mp-1195666,La(Al10V)2,-4.4738102372,-0.2122738961,0.0,-0.0306445131,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-La-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-La-V +mp-1103718,Al(VS2)4,-6.9168880462,-1.2882111965,0.0,-0.0164640929,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Al-S-V,13.0,AB8C4_cF52_216_a_2e_e:Al-S-V +mp-867419,KEuAsS4,-5.9342620793,-1.2810737051,0.0,-0.0137856588,GGA,P2_1/m,ABCD4_mP14_11_e_e_e_2ef:As-Eu-K-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_11_e_e_e_3e2f:As-Eu-K-S, expected KEuAsS7 to be KEuAsS4" +mp-646548,KEuAsS3,-6.1249736792,-1.3856622204,0.0013874041,0.0013874041,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:As-Eu-K-S,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_10e:As-Eu-K-S, expected KEuAsS10 to be KEuAsS3" +mp-1209894,NdSI,-5.5463099367,-2.0869887202,0.0,-0.0070810231,GGA,Pbca,ABC_oP24_61_c_c_c:I-Nd-S,24.0,ABC_oP24_61_c_c_c:I-Nd-S +mp-561126,Nd3Si2S8I,-6.0282663625,-1.7625489595,0.0,-0.0267260841,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:I-Nd-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2ef_14f_f:I-Nd-S-Si, expected Nd4Si2S28I to be Nd3Si2S8I" +mp-1216420,VCrGeC,-8.41936886,-0.2722071381,0.0150340164,0.0150340164,GGA,P-3m1,ABCD_hP8_164_ab_d_d_d:C-Cr-Ge-V,8.0,ABCD_hP8_164_ab_d_d_d:C-Cr-Ge-V +mp-1079313,V3GeC,-8.69376434,-0.4730820285,0.0,-0.0294181787,GGA,Cmcm,ABC3_oC20_63_a_c_cf:C-Ge-V,10.0,ABC3_oC20_63_a_c_cf:C-Ge-V +mp-9957,V2GeC,-8.4889204062,-0.4840440344,0.0,-0.0552932098,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ge-V,8.0,ABC2_hP8_194_a_c_f:C-Ge-V +mp-1216390,VCrC,-9.6270288983,-0.3051558875,0.0458303949,0.0458303949,GGA,P2_12_12,ABC_oP12_18_ab_c_c:C-Cr-V,12.0,ABC_oP12_18_ab_c_c:C-Cr-V +mp-4253,V(CrC)2,-9.548593489,-0.17912709,0.0829642758,0.0829642758,GGA,Cmcm,A2B2C_oC20_63_ac_f_c:C-Cr-V,10.0,A2B2C_oC20_63_ac_f_c:C-Cr-V +mp-29804,Cr3GeC,-8.621903115,-0.0597359635,0.0347949672,0.0347949672,GGA,Cmcm,AB3C_oC20_63_a_cf_c:C-Cr-Ge,10.0,AB3C_oC20_63_a_cf_c:C-Cr-Ge +mp-19821,Cr2GeC,-8.3648406675,-0.0753935956,0.0054580728,0.0054580728,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Cr-Ge,8.0,AB2C_hP8_194_a_f_c:C-Cr-Ge +mp-1216383,VCrC2,-9.4012464225,-0.1026752912,0.1876797025,0.1876797025,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Cr-V,4.0,A2BC_hR12_166_c_a_b:C-Cr-V +mp-1216572,V5Cr5Ge6,-7.7548554562,-0.1659220294,0.0692470218,0.0692470218,GGA,Cm,A5B6C5_mC32_8_5a_4ab_3ab:Cr-Ge-V,16.0,A5B6C5_mC32_8_5a_4ab_3ab:Cr-Ge-V +mp-1046251,Ta2Zn2WO8,-8.4856639592,-2.42668839,0.1635151411,0.1635151411,GGA+U,P1,A8B2CD2_aP26_1_16a_4a_2a_4a:O-Ta-W-Zn,26.0,A8B2CD2_aP26_1_16a_4a_2a_4a:O-Ta-W-Zn +mp-1369089,TaZn2WO6,-7.9040883205,-2.2025355858,0.1474026591,0.1474026591,GGA+U,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Ta-W-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e7f_a_c_3e:O-Ta-W-Zn, expected TaZn3WO18 to be TaZn2WO6" +mp-1339992,TaZn2WO6,-7.9018124965,-2.2002597617,0.1496784831,0.1496784831,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Ta-W-Zn,20.0,A6BCD2_mP20_14_3e_a_b_e:O-Ta-W-Zn +mp-1383877,TaZn2WO6,-7.565270427,-1.8637176923,0.4862205526,0.4862205526,GGA+U,Imm2,A6BCD2_oI20_44_c2d_a_b_c:O-Ta-W-Zn,10.0,A6BCD2_oI20_44_c2d_a_b_c:O-Ta-W-Zn +mp-734713,Mo12PO40,-8.1614114733,-1.8703048266,0.0488691846,0.0488691846,GGA+U,Fd-3m,A12B40C_cF424_227_g_e3g_a:Mo-O-P,106.0,A12B40C_cF424_227_g_e3g_a:Mo-O-P +mp-1352343,AgPO4,-6.2720079215,-1.5999056956,0.0367833971,0.0367833971,GGA,P-1,AB4C_aP48_2_bc3i_16i_4i:Ag-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Ag-O-P, expected Ag7(PO5)12 to be AgPO4" +mp-1229128,Ag3PO4,-5.6263685075000005,-1.4141528373,0.0,-0.0672093897,GGA,R3c,A3B4C_hR48_161_b_ab_a:Ag-O-P,16.0,"Invalid WP multiplicities - A3B4C_hR48_161_b_2a2b_a:Ag-O-P, expected Ag3PO8 to be Ag3PO4" +mp-4198,Ag3PO4,-5.6259269156,-1.4137112454,0.0004415919,-0.0667677978,GGA,P-43n,A3B4C_cP16_218_c_e_a:Ag-O-P,16.0,A3B4C_cP16_218_c_e_a:Ag-O-P +mp-558154,Ag3PO4,-4.4031162675,-0.1909005973,1.22325224,1.1560428503,GGA,Pm-3n,A3B4C_cP16_223_c_e_a:Ag-O-P,16.0,A3B4C_cP16_223_c_e_a:Ag-O-P +mp-733678,Mo12PO46,-7.6118454697,-1.4574592910000002,0.2665444817,0.2665444817,GGA+U,Fd-3m,A12B46C_cF472_227_g_ef3g_a:Mo-O-P,118.0,"Invalid WP multiplicities - A12B46C_cF472_227_g_ef4g_a:Mo-O-P, expected Mo12PO58 to be Mo12PO46" +mp-17427,AgMo3(PO7)2,-7.8708745775,-2.0983869123,0.0042132512,0.0042132512,GGA+U,P2_1/m,AB3C14D2_mP40_11_e_3e_8e3f_2e:Ag-Mo-O-P,40.0,"Invalid WP multiplicities - AB3C14D2_mP40_11_e_5e_10e3f_2e:Ag-Mo-O-P, expected AgMo5(PO8)2 to be AgMo3(PO7)2" +mp-504210,Mo(PO3)5,-7.8173425583,-2.4786524006,0.0,-0.0433939593,GGA+U,P2_1/m,AB15C5_mP42_11_a_3e6f_e2f:Mo-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_11_a_5e18f_2e5f:Mo-O-P, expected MoP12O41 to be Mo(PO3)5" +mp-696012,Mo(PO3)5,-7.6940172839,-2.3553271262,0.1233252744,0.0799313151,GGA+U,P2_1/c,AB15C5_mP84_14_e_15e_5e:Mo-O-P,84.0,"Invalid WP multiplicities - AB15C5_mP84_14_e_56e_18e:Mo-O-P, expected Mo(P9O28)2 to be Mo(PO3)5" +mp-1215041,Ag2PO2,-4.780265948,-0.5859075608000001,0.7816465746,0.7816465746,GGA,Fddd,A2B2C_oF80_70_h_h_c:Ag-O-P,20.0,A2B2C_oF80_70_h_h_c:Ag-O-P +mp-5581,Mo(PO3)3,-8.045941881,-2.5378068017,0.0,-0.081388795,GGA+U,Cc,AB9C3_mC156_9_3a_27a_9a:Mo-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:Mo-O-P +mp-14029,AgMoPO6,-7.4024198847,-1.983348675,0.0,-0.0203312882,GGA+U,P2_1/c,ABC6D_mP72_14_2e_2e_12e_2e:Ag-Mo-O-P,72.0,"Invalid WP multiplicities - ABC6D_mP72_14_2e_2e_15e_2e:Ag-Mo-O-P, expected Ag2Mo2P2O15 to be AgMoPO6" +mp-705035,Mo(PO3)4,-7.8504330487,-2.4469551268,0.054315133,0.054315133,GGA+U,P2_1/c,AB12C4_mP68_14_e_12e_4e:Mo-O-P,68.0,"Invalid WP multiplicities - AB12C4_mP68_14_e_43e_14e:Mo-O-P, expected MoP14O43 to be Mo(PO3)4" +mp-697769,Mo(PO3)4,-7.8501670432,-2.4466891214,0.0545811385,0.0545811385,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Mo-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_23f_6f:Mo-O-P, expected Mo(P6O23)2 to be Mo(PO3)4" +mp-695772,Mo(PO3)4,-7.862543575,-2.4590656531,0.0422046067,0.0422046067,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Mo-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_21f_5f:Mo-O-P, expected Mo(P5O21)2 to be Mo(PO3)4" +mp-1045821,Mo(PO3)4,-7.8559203782,-2.4524424564,0.0488278035,0.0488278035,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Mo-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_19f_4f:Mo-O-P, expected Mo(P4O19)2 to be Mo(PO3)4" +mp-25988,Mo(PO3)4,-7.8730454265,-2.4695675046,0.0317027552,0.0317027552,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Mo-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_23d_8d:Mo-O-P, expected Mo(P8O23)2 to be Mo(PO3)4" +mp-1047920,Mo3P3O13,-8.3033094318,-2.3515299005,0.0388561726,0.0388561726,GGA+U,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Mo-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Mo-O-P, expected Mo5P3O34 to be Mo3P3O13" +mp-540138,MoPO5,-8.2067462686,-2.3506896724,0.0064189714,-0.0034516304,GGA+U,P-1,AB5C_aP28_2_2i_10i_2i:Mo-O-P,28.0,"Invalid WP multiplicities - AB5C_aP28_2_4i_18i_3i:Mo-O-P, expected Mo4(PO6)3 to be MoPO5" +mp-1104182,MoPO5,-8.2102455329,-2.3541889367,0.0029197071,-0.0069508947,GGA+U,Cc,AB5C_mC28_9_a_5a_a:Mo-O-P,14.0,AB5C_mC28_9_a_5a_a:Mo-O-P +mp-26372,MoPO5,-8.21316524,-2.3571086439,0.0,-0.0098706018,GGA+U,Pnma,AB5C_oP28_62_c_3cd_c:Mo-O-P,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_10c5d_c:Mo-O-P, expected MoPO20 to be MoPO5" +mp-504414,MoPO5,-8.0845302343,-2.2284736382,0.1286350057,0.1187644039,GGA+U,Pna2_1,AB5C_oP56_33_2a_10a_2a:Mo-O-P,56.0,"Invalid WP multiplicities - AB5C_oP56_33_5a_37a_5a:Mo-O-P, expected Mo5P5O37 to be MoPO5" +mp-1044164,MoPO5,-8.1429629807,-2.2869063846,0.0702022593,0.0603316574,GGA+U,Fdd2,AB5C_oF112_43_b_5b_b:Mo-O-P,28.0,"Invalid WP multiplicities - AB5C_oF112_43_b_14b_b:Mo-O-P, expected MoPO14 to be MoPO5" +mp-504818,MoPO5,-8.2001472107,-2.3440906146,0.0130180293,0.0031474274,GGA+U,P4/n,AB5C_tP14_85_c_cg_a:Mo-O-P,14.0,"Invalid WP multiplicities - AB5C_tP14_85_c_c2g_a:Mo-O-P, expected MoPO9 to be MoPO5" +mp-1221571,Mo2P3O14,-7.6402983521,-1.9989904733,0.2510516006,0.2510516006,GGA+U,P1,A2B14C3_aP19_1_2a_14a_3a:Mo-O-P,19.0,A2B14C3_aP19_1_2a_14a_3a:Mo-O-P +mp-704210,Mo(PO4)2,-7.8884414358,-2.3206446346,0.0209670358,0.0209670358,GGA+U,P2_1/c,AB8C2_mP132_14_3e_24e_6e:Mo-O-P,132.0,"Invalid WP multiplicities - AB8C2_mP132_14_11e_95e_20e:Mo-O-P, expected Mo11(P4O19)5 to be Mo(PO4)2" +mp-25868,Mo(PO4)2,-7.8981037205,-2.3303069192,0.0113047512,0.0113047512,GGA+U,P2_1/c,AB8C2_mP44_14_e_8e_2e:Mo-O-P,44.0,"Invalid WP multiplicities - AB8C2_mP44_14_e_28e_6e:Mo-O-P, expected Mo(P3O14)2 to be Mo(PO4)2" +mp-1221578,Mo(PO4)2,-7.8961926832,-2.328395882,0.0132157885,0.0132157885,GGA+U,P2_12_12,AB8C2_oP22_18_a_ab3c_c:Mo-O-P,22.0,AB8C2_oP22_18_a_ab3c_c:Mo-O-P +mp-26600,Mo(PO4)2,-7.8944411411,-2.3266443399,0.0149673305,0.0149673305,GGA+U,P2_12_12_1,AB8C2_oP44_19_a_8a_2a:Mo-O-P,44.0,"Invalid WP multiplicities - AB8C2_oP44_19_a_30a_6a:Mo-O-P, expected Mo(PO5)6 to be Mo(PO4)2" +mp-540270,MoP2O7,-8.031835257,-2.4019276468,0.105556855,0.0841184404,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mo-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_3i:Mo-O-P, expected MoP3O13 to be MoP2O7" +mp-25250,MoP2O7,-8.137392112,-2.5074845018,0.0,-0.0214384146,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Mo-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_12a_4a:Mo-O-P, expected Mo(PO3)4 to be MoP2O7" +mp-26294,MoP2O7,-8.09787851,-2.4679708998,0.039513602,0.0180751874,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Mo-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b6c_c:Mo-O-P, expected MoP2O13 to be MoP2O7" +mp-26616,MoP2O7,-8.13415479,-2.5042471798,0.003237322,-0.0182010926,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_26e_4e:Mo-O-P, expected Mo(P2O13)2 to be MoP2O7" +mp-26628,MoP2O7,-8.0194217842,-2.389514174,0.1179703277,0.0965319132,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_3e:Mo-O-P, expected MoP3O25 to be MoP2O7" +mp-26838,MoP2O7,-8.10026711,-2.4703594998,0.037125002,0.0156865874,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_22e_7e:Mo-O-P, expected MoP7O22 to be MoP2O7" +mp-26324,MoP2O7,-8.1303085087,-2.5004008985,0.0070836032,-0.0143548113,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_6e:Mo-O-P, expected Mo(P2O9)3 to be MoP2O7" +mp-1048331,MoP2O7,-7.958428189,-2.3285205788,0.178963923,0.1575255084,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_28e_5e:Mo-O-P, expected MoP5O28 to be MoP2O7" +mp-26240,MoP2O7,-8.115525355,-2.4856177448,0.021866757,0.0004283424,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Mo-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_26f_4f:Mo-O-P, expected Mo(P2O13)2 to be MoP2O7" +mp-505406,MoP2O7,-8.1123569623,-2.482449352,0.0250351497,0.0035967352,GGA+U,Pa-3,AB7C2_cP40_205_a_bd_c:Mo-O-P,40.0,AB7C2_cP40_205_a_bd_c:Mo-O-P +mp-32055,Mo2(PO4)3,-8.1666271979,-2.4435994171,0.0028649474,0.0019656138,GGA+U,P1,A2B12C3_aP34_1_4a_24a_6a:Mo-O-P,34.0,A2B12C3_aP34_1_4a_24a_6a:Mo-O-P +mp-25844,Mo2(PO4)3,-8.1581856903,-2.4351579094,0.011306455,0.0104071215,GGA+U,Pbcm,A2B12C3_oP68_57_e_2d5e_ce:Mo-O-P,68.0,"Invalid WP multiplicities - A2B12C3_oP68_57_e_8d35e_4c4e:Mo-O-P, expected Mo(P2O13)3 to be Mo2(PO4)3" +mp-27006,Mo2(PO4)3,-8.16151973,-2.4384919491,0.0079724153,0.0070730818,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Mo-O-P,34.0,"Invalid WP multiplicities - A2B12C3_aP34_2_3i_23i_5i:Mo-O-P, expected Mo3P5O23 to be Mo2(PO4)3" +mp-32077,Mo2(PO4)3,-8.1694921453,-2.4464643644,0.0,-0.0008993335,GGA+U,C2,A2B12C3_mC68_5_2c_12c_ab2c:Mo-O-P,34.0,"Invalid WP multiplicities - A2B12C3_mC68_5_4c_24c_ab4c:Mo-O-P, expected Mo4P5O24 to be Mo2(PO4)3" +mp-540082,Mo2(PO4)3,-8.1669945544,-2.4439667735,0.0024975909,0.0015982574,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Mo-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_45e_9e:Mo-O-P, expected Mo(PO5)3 to be Mo2(PO4)3" +mp-696104,Mo2(PO4)3,-8.1522072191,-2.4291794382000003,0.0172849262,0.0163855926,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Mo-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_22f_f:Mo-O-P, expected MoPO22 to be Mo2(PO4)3" +mp-1101595,Mo2(PO4)3,-8.1395342244,-2.4165064435,0.0299579209,0.0290585874,GGA+U,R32,A2B12C3_hR102_155_2c_4f_de:Mo-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_155_2c_21f_2d2e:Mo-O-P, expected Mo2(P2O21)3 to be Mo2(PO4)3" +mp-26048,Mo2(PO4)3,-8.1509908756,-2.4279630947,0.0185012697,0.0176019362,GGA+U,R-3c,A2B12C3_hR102_167_c_2f_e:Mo-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_10f_e:Mo-O-P, expected Mo2(PO20)3 to be Mo2(PO4)3" +mp-32113,Mo2P3O13,-8.0386404006,-2.3587425680000003,0.0129883449,0.0032533597,GGA+U,P-1,A2B13C3_aP36_2_2i_13i_3i:Mo-O-P,36.0,"Invalid WP multiplicities - A2B13C3_aP36_2_4i_24i_4i:Mo-O-P, expected MoPO6 to be Mo2P3O13" +mp-1101600,Mo2P3O13,-8.040499245,-2.3606014124,0.0111295004,0.0013945153,GGA+U,P-1,A2B13C3_aP36_2_2i_13i_3i:Mo-O-P,36.0,"Invalid WP multiplicities - A2B13C3_aP36_2_4i_24i_3i:Mo-O-P, expected Mo4(PO8)3 to be Mo2P3O13" +mp-585184,Mo2P3O13,-8.0516287454,-2.3717309128,0.0,-0.0097349851,GGA+U,P2_1,A2B13C3_mP72_4_4a_26a_6a:Mo-O-P,72.0,"Invalid WP multiplicities - A2B13C3_mP72_4_7a_51a_11a:Mo-O-P, expected Mo7P11O51 to be Mo2P3O13" +mp-540536,Mo2P3O13,-8.0423432286,-2.362445396,0.0092855168,-0.0004494683,GGA+U,Cc,A2B13C3_mC72_9_2a_13a_3a:Mo-O-P,36.0,"Invalid WP multiplicities - A2B13C3_mC72_9_4a_26a_3a:Mo-O-P, expected Mo4P3O26 to be Mo2P3O13" +mp-26194,Mo2P3O13,-8.0423914049,-2.3624935723,0.0092373406,-0.0004976446,GGA+U,P2_1/c,A2B13C3_mP72_14_2e_13e_3e:Mo-O-P,72.0,"Invalid WP multiplicities - A2B13C3_mP72_14_5e_49e_9e:Mo-O-P, expected Mo5P9O49 to be Mo2P3O13" +mp-705358,Mo2P3O13,-8.0244510364,-2.3445532038,0.027177709,0.0174427239,GGA+U,C2/c,A2B13C3_mC72_15_f_e6f_ef:Mo-O-P,36.0,"Invalid WP multiplicities - A2B13C3_mC72_15_f_e20f_e2f:Mo-O-P, expected Mo2P5O41 to be Mo2P3O13" +mp-1199654,Ag3P3O10,-6.4191324391,-1.7813535239,0.0590764434,0.0590764434,GGA,C2/m,A3B10C3_mC64_12_gj_4i3j_ij:Ag-O-P,32.0,A3B10C3_mC64_12_gj_4i3j_ij:Ag-O-P +mp-1229161,Ag6P6O19,-6.44588817,-1.818074087,0.0808520604,0.0808520604,GGA,R3,A6B19C6_hR93_146_2b_a6b_2b:Ag-O-P,31.0,A6B19C6_hR93_146_2b_a6b_2b:Ag-O-P +mp-25922,Mo2PO8,-8.246884843,-2.1852382596,0.0149313035,0.0149313035,GGA+U,P2_1,A2B8C_mP44_4_4a_16a_2a:Mo-O-P,44.0,"Invalid WP multiplicities - A2B8C_mP44_4_7a_30a_3a:Mo-O-P, expected Mo7(PO10)3 to be Mo2PO8" +mp-705562,Mo4P5O24,-8.0489106086,-2.3164972134,0.0070572863,0.0070572863,GGA+U,Cc,A4B24C5_mC132_9_4a_24a_5a:Mo-O-P,66.0,"Invalid WP multiplicities - A4B24C5_mC132_9_8a_47a_9a:Mo-O-P, expected Mo8P9O47 to be Mo4P5O24" +mp-32108,Mo2P3O11,-8.2309318,-2.4593828273,0.0,-0.0070073518,GGA+U,C2,A2B11C3_mC64_5_2c_ab10c_ab2c:Mo-O-P,32.0,"Invalid WP multiplicities - A2B11C3_mC64_5_4c_ab18c_ab2c:Mo-O-P, expected Mo4P3O19 to be Mo2P3O11" +mp-25828,Mo2P3O11,-8.2153741891,-2.4438252163,0.0155576109,0.0085502592,GGA+U,C2/c,A2B11C3_mC64_15_f_e5f_ef:Mo-O-P,32.0,"Invalid WP multiplicities - A2B11C3_mC64_15_f_e15f_ef:Mo-O-P, expected Mo2P3O31 to be Mo2P3O11" +mp-818409,Mo8P6O49,-7.1244136197,-1.384211036,0.478687941,0.478687941,GGA+U,P-1,A8B49C6_aP63_2_4i_a24i_3i:Mo-O-P,63.0,A8B49C6_aP63_2_4i_a24i_3i:Mo-O-P +mp-1204189,Mo8P6O49,-7.1192368663,-1.3790342827,0.4838646943,0.4838646943,GGA+U,P-1,A8B49C6_aP63_2_4i_a24i_3i:Mo-O-P,63.0,A8B49C6_aP63_2_4i_a24i_3i:Mo-O-P +mp-726717,MoPO7,-7.1899405172,-1.5359656733,0.3521533299,0.3521533299,GGA+U,P2_1/m,AB7C_mP18_11_e_5ef_e:Mo-O-P,18.0,AB7C_mP18_11_e_5ef_e:Mo-O-P +mp-1189600,MoPO7,-7.0623496839,-1.40837484,0.4797441633,0.4797441633,GGA+U,P2_1/m,AB7C_mP18_11_e_5ef_e:Mo-O-P,18.0,AB7C_mP18_11_e_5ef_e:Mo-O-P +mp-14973,AgMo2P3O13,-7.794226648,-2.2641889117,0.0,-0.0049792753,GGA+U,P2_1/c,AB2C13D3_mP76_14_e_2e_13e_3e:Ag-Mo-O-P,76.0,"Invalid WP multiplicities - AB2C13D3_mP76_14_e_4e_16e_3e:Ag-Mo-O-P, expected AgMo4P3O16 to be AgMo2P3O13" +mp-26562,Mo3(PO4)4,-8.0954068517,-2.2981381675,0.1460748841,0.1460748841,GGA+U,P1,A3B16C4_aP69_1_9a_48a_12a:Mo-O-P,69.0,A3B16C4_aP69_1_9a_48a_12a:Mo-O-P +mp-26638,Mo3(PO4)4,-8.0799516389,-2.2826829547,0.161530097,0.161530097,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Mo-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_5a_29a_7a:Mo-O-P, expected Mo5P7O29 to be Mo3(PO4)4" +mp-32120,Mo3(PO4)4,-8.1955600126,-2.3982913284,0.0459217233,0.0459217233,GGA+U,P2_1/c,A3B16C4_mP46_14_ae_8e_2e:Mo-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_14_2a2e_28e_3e:Mo-O-P, expected Mo3P3O28 to be Mo3(PO4)4" +mp-744474,Mo2P4O15,-7.18899766,-1.5916242831,0.8402776670000001,0.8402776670000001,GGA+U,P2_1,A2B15C4_mP42_4_2a_15a_4a:Mo-O-P,42.0,A2B15C4_mP42_4_4a_30a_8a:Mo-O-P +mp-1221698,Mo2P4O15,-8.028121536,-2.430748159,0.0011537911,0.0011537911,GGA+U,Pc,A2B15C4_mP42_7_2a_15a_4a:Mo-O-P,42.0,"Invalid WP multiplicities - A2B15C4_mP42_7_3a_22a_6a:Mo-O-P, expected Mo3(P3O11)2 to be Mo2P4O15" +mp-36383,Ag3(PO4)2,-6.1399227577,-1.6093240874,0.0,-0.0276312776,GGA,R3,A3B8C2_hR39_146_b_2a2b_2a:Ag-O-P,13.0,"Invalid WP multiplicities - A3B8C2_hR39_146_b_2a3b_2a:Ag-O-P, expected Ag3P2O11 to be Ag3(PO4)2" +mp-25359,Mo3P3O16,-8.0912495052,-2.276527813,0.01828594,0.01828594,GGA+U,P-1,A3B16C3_aP44_2_3i_16i_3i:Mo-O-P,44.0,"Invalid WP multiplicities - A3B16C3_aP44_2_5i_32i_4i:Mo-O-P, expected Mo5(PO8)4 to be Mo3P3O16" +mp-26744,Mo4P7O24,-8.1876632774,-2.4734847901,0.0,-0.0015392223,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Mo-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_7i_47i_12i:Mo-O-P, expected Mo7P12O47 to be Mo4P7O24" +mp-1040930,Mo2P2O9,-8.2911391517,-2.3651311798,0.0304115256,0.0304115256,GGA+U,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Mo-O-P,52.0,"Invalid WP multiplicities - A2B9C2_oP52_62_ac_7c2d_2c:Mo-O-P, expected Mo2P2O11 to be Mo2P2O9" +mp-18702,AgPO3,-6.5785070015,-1.9613220728,0.0,-0.0685484885,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Ag-O-P,40.0,AB3C_mP40_14_2e_6e_2e:Ag-O-P +mp-775762,AgPO3,-6.533062173,-1.9158772442,0.0454448285,-0.02310366,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ag-O-P,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Ag-O-P, expected AgPO9 to be AgPO3" +mp-1101589,Mo2P2O11,-8.0603901477,-2.2649580772,0.0007847267,-0.0210510711,GGA+U,P-1,A2B11C2_aP30_2_2i_11i_2i:Mo-O-P,30.0,"Invalid WP multiplicities - A2B11C2_aP30_2_2i_22i_3i:Mo-O-P, expected Mo2P3O22 to be Mo2P2O11" +mp-1221593,Mo2P2O11,-7.7957957147,-2.0003636442,0.2653791597,0.2435433619,GGA+U,Pm,A2B11C2_mP15_6_ab_3a4b2c_ab:Mo-O-P,15.0,A2B11C2_mP15_6_ab_3a4b2c_ab:Mo-O-P +mp-25266,Mo2P2O11,-8.0585156012,-2.2630835307,0.0026592732,-0.0191765246,GGA+U,P2_1/m,A2B11C2_mP60_11_2ef_a7e7f_2ef:Mo-O-P,60.0,"Invalid WP multiplicities - A2B11C2_mP60_11_4ef_a14e17f_2e2f:Mo-O-P, expected Mo6P6O49 to be Mo2P2O11" +mp-504196,Mo2P2O11,-8.0611748743,-2.2657428039,0.0,-0.0218357978,GGA+U,P2_1/m,A2B11C2_mP30_11_2e_7e2f_2e:Mo-O-P,30.0,"Invalid WP multiplicities - A2B11C2_mP30_11_3e_13e4f_3e:Mo-O-P, expected MoPO7 to be Mo2P2O11" +mp-636950,Mo2P2O11,-8.0447403395,-2.249308269,0.0164345348,-0.0054012629,GGA+U,Pnma,A2B11C2_oP60_62_2c_7c2d_2c:Mo-O-P,60.0,"Invalid WP multiplicities - A2B11C2_oP60_62_6c_25c13d_6c:Mo-O-P, expected Mo2P2O17 to be Mo2P2O11" +mp-697734,MoP4O13,-7.6755120533,-2.2974113098,0.1074244161,0.1074244161,GGA+U,P-1,AB13C4_aP36_2_i_13i_4i:Mo-O-P,36.0,"Invalid WP multiplicities - AB13C4_aP36_2_i_24i_7i:Mo-O-P, expected MoP7O24 to be MoP4O13" +mp-26402,MoP4O13,-7.6857801313,-2.3076793878,0.0971563382,0.0971563382,GGA+U,P2_12_12_1,AB13C4_oP72_19_a_13a_4a:Mo-O-P,72.0,"Invalid WP multiplicities - AB13C4_oP72_19_a_49a_13a:Mo-O-P, expected MoP13O49 to be MoP4O13" +mp-504259,Mo4P9O32,-7.961665471,-2.3973018763,0.0586684887,0.0586684887,GGA+U,P-42_1c,A4B32C9_tP90_114_e_8e_a2e:Mo-O-P,90.0,"Invalid WP multiplicities - A4B32C9_tP90_114_e_62e_2a11e:Mo-O-P, expected Mo2P23O124 to be Mo4P9O32" +mp-1048896,MoPO4,-8.2398161488,-2.2321982385,0.1224534456,0.1224534456,GGA+U,C2/c,AB4C_mC96_15_cef_8f_2f:Mo-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Mo-O-P, expected Mo7(PO5)12 to be MoPO4" +mp-19467,AgMo3P3O16,-7.8913009941,-2.2062386796,0.0046160634,0.0046160634,GGA+U,P-1,AB3C16D3_aP46_2_i_3i_16i_3i:Ag-Mo-O-P,46.0,AB3C16D3_aP46_2_i_3i_16i_3i:Ag-Mo-O-P +mp-1217133,Ti5CN4,-9.897981485,-1.6927709574,0.003550156,0.003550156,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:C-N-Ti,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b3c:C-N-Ti, expected Ti7CN6 to be Ti5CN4" +mp-1217920,TaTiCN,-10.4898413475,-1.1602338315,0.075933,0.075933,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Ta-Ti,4.0,ABCD_hR12_160_a_a_a_a:C-N-Ta-Ti +mp-1217914,TaTiN2,-10.60790402,-1.5013391458,0.1234540167,0.1234540167,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Ta-Ti,4.0,A2BC_tP4_123_ad_b_c:N-Ta-Ti +mp-1217107,Ti4CN3,-9.873665155,-1.6461503632,0.0,-0.0045096735,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:C-N-Ti,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_2c:C-N-Ti, expected Ti4CN5 to be Ti4CN3" +mp-1246886,Ta(C2N3)3,-8.8166094856,0.0745295713,0.2864616423,0.2864616423,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Ta,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Ta +mp-1217764,Ta2CN,-11.138182735,-0.8180038156,0.1459520642,0.1459520642,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:C-N-Ta,4.0,ABC2_tP4_123_a_d_bc:C-N-Ta +mp-37179,Ta2CN,-11.1558865712,-0.8357076519000001,0.1282482279,0.1282482279,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:C-N-Ta,8.0,ABC2_tI16_141_a_b_e:C-N-Ta +mp-1245543,Ti3C3N7,-9.0210327588,-0.5804222202,0.2951181402,0.2951181402,GGA,P2_12_12_1,A3B7C3_oP104_19_6a_14a_6a:C-N-Ti,104.0,A3B7C3_oP104_19_6a_14a_6a:C-N-Ti +mp-1247302,Ti(C2N3)3,-8.6666192997,-0.0231230936,0.2140024206,0.2140024206,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Ti,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Ti +mp-1217103,Ti4C3N,-9.5542326713,-1.1036752376,0.0,-0.0060315837,GGA,R-3m,A3BC4_hR24_166_ac_b_2c:C-N-Ti,8.0,"Invalid WP multiplicities - A3BC4_hR24_166_a2c_b_2c:C-N-Ti, expected Ti4C5N to be Ti4C3N" +mp-1019270,Ta2TiN3,-10.4968882317,-1.0601328897,0.4739232889,0.4739232889,GGA,P6/mmm,A3B2C_hP6_191_f_d_a:N-Ta-Ti,6.0,A3B2C_hP6_191_f_d_a:N-Ta-Ti +mp-1019273,TaTi2N3,-9.9654706483,-1.1890962419,0.5264339044,0.5264339044,GGA,P6/mmm,A3BC2_hP6_191_f_a_d:N-Ta-Ti,6.0,A3BC2_hP6_191_f_a_d:N-Ta-Ti +mp-1217142,Ti2CN,-9.725261795,-1.3862256823,0.0,-0.0113128819,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-Ti,4.0,ABC2_hR12_166_a_b_c:C-N-Ti +mp-1245727,Ti2(CN2)3,-8.9826205091,-0.4829886854,0.2068309925,0.2068309925,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Ti,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Ti +mp-1246224,Ti2(CN2)3,-9.0951091123,-0.5954772886,0.0943423893,0.0943423893,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Ti,22.0,A3B6C2_hR66_167_e_f_c:C-N-Ti +mp-1246375,Ta2(CN2)3,-9.4945182382,-0.2744708484,0.3420588128,0.3420588128,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Ta,22.0,A3B6C2_hR66_167_e_f_c:C-N-Ta +mp-979265,Ta2CN3,-9.5304857867,0.1284651346,1.2026143552,1.2026143552,GGA,P6/mmm,AB3C2_hP6_191_a_f_d:C-N-Ta,6.0,AB3C2_hP6_191_a_f_d:C-N-Ta +mp-1785896,ZnCr2F12,-5.270691626,-2.3704525487,0.00455012,0.00455012,GGA+U,P-1,A2B12C_aP15_2_i_6i_a:Cr-F-Zn,15.0,"Invalid WP multiplicities - A2B12C_aP15_2_i_11i_a:Cr-F-Zn, expected ZnCr2F22 to be ZnCr2F12" +mp-1396255,ZnCr2F12,-4.2439821687,-1.3437430913,1.0312595773,1.0312595773,GGA+U,P-1,A2B12C_aP15_2_i_6i_a:Cr-F-Zn,15.0,"Invalid WP multiplicities - A2B12C_aP15_2_i_11i_a:Cr-F-Zn, expected ZnCr2F22 to be ZnCr2F12" +mp-1046709,ZnCrSF5,-5.3744471212,-2.2986176482,0.198407544,0.198407544,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-S-Zn,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-S-Zn +mp-35311,ZnCrF6,-5.4433000862,-2.6455919756,0.0,-0.0390610612,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-Zn,8.0,AB6C_hR24_148_a_f_b:Cr-F-Zn +mp-1328934,ZnCrF5,-5.7298647311,-2.8055524571,0.0481906196,0.0481906196,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Cr-F-Zn,28.0,AB5C_mP28_14_e_5e_e:Cr-F-Zn +mp-1393890,ZnCrF5,-5.7354030136,-2.8110907396,0.0426523371,0.0426523371,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Cr-F-Zn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_c_e3f_e:Cr-F-Zn, expected ZnCrF7 to be ZnCrF5" +mp-755583,LuVO3,-9.0132871895,-3.3243026448,0.0057737502,0.0057737502,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Lu-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Lu-O-V, expected LuVO7 to be LuVO3" +mp-973486,LuVO3,-8.455128082,-2.7661435373,0.5639328578,0.5639328578,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Lu-O-V,5.0,AB3C_cP5_221_a_c_b:Lu-O-V +mp-642783,Lu2V2O7,-8.2889981464,-2.667495041,0.5984218481,0.5984218481,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Lu-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Lu-O-V, expected LuVO10 to be Lu2V2O7" +mp-20406,Lu2V2O7,-8.88445695,-3.2629538447,0.0029630444,0.0029630444,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-V,22.0,A2B7C2_cF88_227_c_af_d:Lu-O-V +mp-1223087,Lu2ScV3O9,-9.0897794892,-3.2800270388,0.0241584057,0.0241584057,GGA+U,Pm,A2B9CD3_mP60_6_2a3c_2a2b16c_2bc_6c:Lu-O-Sc-V,60.0,"Invalid WP multiplicities - A2B9CD3_mP60_6_2a5c_2a2b30c_2bc_12c:Lu-O-Sc-V, expected Lu3ScV6O16 to be Lu2ScV3O9" +mp-1211802,LuV2O2,-7.6268361755,-1.110408159,1.3745645462,1.3745645462,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Lu-O-V,20.0,AB2C2_tI40_141_c_h_h:Lu-O-V +mp-1222459,Lu3ScV4O12,-9.0708309805,-3.2912705065,0.0193876756,0.0193876756,GGA+U,Pm,A3B12CD4_mP20_6_a2b_2a2b4c_a_2c:Lu-O-Sc-V,20.0,"Invalid WP multiplicities - A3B12CD4_mP20_6_a2b_2a2b8c_a_4c:Lu-O-Sc-V, expected Lu3ScV8O20 to be Lu3ScV4O12" +mp-34645,Lu4V4O13,-8.7286094993,-3.0749723752,0.2214966596,0.2214966596,GGA+U,C2/m,A4B13C4_mC84_12_abij_5i4j_cdefi:Lu-O-V,42.0,"Invalid WP multiplicities - A4B13C4_mC84_12_ab2i3j_10i15j_cde2f2i:Lu-O-V, expected Lu9V6O40 to be Lu4V4O13" +mp-33623,Lu4V4O13,-8.7228331771,-3.069196053,0.2272729817,0.2272729817,GGA+U,F-43m,A4B13C4_cF84_216_e_afg_e:Lu-O-V,21.0,A4B13C4_cF84_216_e_afg_e:Lu-O-V +mp-1180452,LuVO4,-8.7423682367,-3.1770996642,0.03535097,-0.1226227649,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Lu-O-V,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Lu-O-V, expected LuVO10 to be LuVO4" +mp-19295,LuVO4,-8.7436582217,-3.1783896492,0.034060985,-0.1239127499,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Lu-O-V,12.0,AB4C_tI24_88_a_f_b:Lu-O-V +mp-18993,LuVO4,-8.7777192067,-3.2124506342,0.0,-0.1579737349,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Lu-O-V,12.0,AB4C_tI24_141_a_h_b:Lu-O-V +mp-1210719,LuVO2,-8.2869050981,-2.412346595,0.6938692865,0.6938692865,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Lu-O-V,16.0,AB2C_tI32_141_c_h_d:Lu-O-V +mp-1042751,VAs2O7,-7.0599030825,-1.7570066966,0.0872421493,0.0872421493,GGA+U,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-O-V,40.0,A2B7C_mP40_14_2e_7e_e:As-O-V +mp-752642,VAsO4,-7.5680569917,-1.9797604383,0.0699067933,0.0699067933,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:As-O-V,24.0,AB4C_mP24_14_e_4e_e:As-O-V +mp-757033,V6AgO15,-8.1550720339,-2.176148257,0.0230362157,0.0230362157,GGA+U,P-1,AB15C6_aP44_2_i_15i_6i:Ag-O-V,44.0,"Invalid WP multiplicities - AB15C6_aP44_2_i_28i_11i:Ag-O-V, expected V11AgO28 to be V6AgO15" +mp-1101006,V6AgO15,-8.023850762,-2.0449269851,0.1542574875,0.1542574875,GGA+U,P-1,AB15C6_aP44_2_i_15i_6i:Ag-O-V,44.0,"Invalid WP multiplicities - AB15C6_aP44_2_i_28i_10i:Ag-O-V, expected V10AgO28 to be V6AgO15" +mp-1216494,V6AgO15,-8.1530264145,-2.1741026376,0.025081835,0.025081835,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Ag-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Ag-O-V +mp-19402,V4Ag2O11,-7.6434087147,-1.9719785906,0.0068240331,0.0068240331,GGA+U,C2/m,A2B11C4_mC34_12_i_a5i_2i:Ag-O-V,17.0,"Invalid WP multiplicities - A2B11C4_mC34_12_i_a6i_2i:Ag-O-V, expected V4Ag2O13 to be V4Ag2O11" +mp-1188566,VAg2AsO6,-6.4090252515,-1.5001983766,0.0136678678,0.0136678678,GGA+U,P-1,A2BC6D_aP20_2_2i_i_6i_i:Ag-As-O-V,20.0,A2BC6D_aP20_2_2i_i_6i_i:Ag-As-O-V +mp-1047768,V3(AsO4)4,-7.2029957493,-1.7666822185000002,0.1636308055,0.1636308055,GGA+U,P2_1/c,A4B16C3_mP46_14_2e_8e_ae:As-O-V,46.0,"Invalid WP multiplicities - A4B16C3_mP46_14_5e_29e_ae:As-O-V, expected V3(As5O29)2 to be V3(AsO4)4" +mp-818713,V10As2O35,-7.2293931774,-1.4146824879,0.5299912009000001,0.5299912009000001,GGA+U,I-43m,A2B35C10_cI282_217_d_be4g2h_e2g:As-O-V,141.0,A2B35C10_cI282_217_d_be4g2h_e2g:As-O-V +mp-18889,VAg3O4,-5.9176208263,-1.2465797106,0.0,-0.0341535491,GGA+U,C2/c,A3B4C_mC32_15_af_2f_e:Ag-O-V,16.0,A3B4C_mC32_15_af_2f_e:Ag-O-V +mp-19412,VAg3O4,-5.8869016762,-1.2158605606,0.03071915,-0.0034343991,GGA+U,I-42m,A3B4C_tI16_121_ad_i_b:Ag-O-V,8.0,A3B4C_tI16_121_ad_i_b:Ag-O-V +mp-1216989,V12Ag5O32,-7.7773653476,-2.0332083758,0.0027182451,0.0027182451,GGA+U,Cm,A5B32C12_mC98_8_3ab_16a8b_6a3b:Ag-O-V,49.0,A5B32C12_mC98_8_3ab_16a8b_6a3b:Ag-O-V +mp-1100952,V16Ag7O40,-7.7922699117,-2.0297629658,0.0263305446,0.0263305446,GGA+U,P1,A7B40C16_aP63_1_7a_40a_16a:Ag-O-V,63.0,A7B40C16_aP63_1_7a_40a_16a:Ag-O-V +mp-1100976,V3AgO8,-7.8805797025,-2.0757643772,0.0,-0.0067990204,GGA+U,P2_1/m,AB8C3_mP24_11_e_8e_3e:Ag-O-V,24.0,"Invalid WP multiplicities - AB8C3_mP24_11_e_15e_5e:Ag-O-V, expected V5AgO15 to be V3AgO8" +mp-1100926,VAgO3,-7.0310032655,-1.6796976241,0.066396791,0.0643928865,GGA+U,P-1,AB3C_aP40_2_4i_12i_4i:Ag-O-V,40.0,"Invalid WP multiplicities - AB3C_aP40_2_6i_23i_7i:Ag-O-V, expected V7Ag6O23 to be VAgO3" +mp-559736,VAgO3,-7.094997352,-1.7436917106,0.0024027045,0.0003988,GGA+U,Cm,AB3C_mC40_8_4a_12a_4a:Ag-O-V,20.0,AB3C_mC40_8_4a_12a_4a:Ag-O-V +mp-624691,VAgO3,-7.0859557935,-1.7346501521,0.011444263,0.0094403585,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Ag-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_15_3e_8f_f:Ag-O-V, expected V2Ag3O16 to be VAgO3" +mp-1178815,VAgO3,-7.0974000565,-1.7460944151,0.0,-0.0020039045,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Ag-O-V,20.0,AB3C_mC40_15_2e_3f_f:Ag-O-V +mp-863411,V18Ag7O48,-7.8139707679,-2.0498713238,0.0,-0.002542075,GGA+U,P1,A7B48C18_aP73_1_7a_48a_18a:Ag-O-V,73.0,A7B48C18_aP73_1_7a_48a_18a:Ag-O-V +mp-1216506,V4AgO10,-8.0304788927,-2.1214743996,0.035361881,0.035361881,GGA+U,Cm,AB10C4_mC30_8_a_10a_4a:Ag-O-V,15.0,AB10C4_mC30_8_a_10a_4a:Ag-O-V +mp-28337,V4As2O13,-7.9366873895,-2.1492761086,0.0038978603,0.0038978603,GGA+U,P1,A2B13C4_aP19_1_2a_13a_4a:As-O-V,19.0,A2B13C4_aP19_1_2a_13a_4a:As-O-V +mp-1197838,V2Ag4O7,-6.3322857627,-1.3996044449,0.0390963059,0.0390963059,GGA+U,Pbca,A4B7C2_oP208_61_8c_14c_4c:Ag-O-V,208.0,A4B7C2_oP208_61_8c_14c_4c:Ag-O-V +mp-1200118,V2AsO6,-8.0370214697,-2.2029033794,0.0,-0.0151541453,GGA+U,P2_12_12_1,AB6C2_oP36_19_a_6a_2a:As-O-V,36.0,AB6C2_oP36_19_a_6a_2a:As-O-V +mp-758198,V4(AgO4)3,-7.2785214574,-1.7946500455,0.0227799364,0.0227799364,GGA+U,P1,A3B12C4_aP38_1_6a_24a_8a:Ag-O-V,38.0,A3B12C4_aP38_1_6a_24a_8a:Ag-O-V +mp-1204976,V2Ag6As2O13,-6.091698455,-1.3617707065,0.0148755005,0.0148755005,GGA+U,C2/c,A6B2C13D2_mC92_15_3f_f_e6f_f:Ag-As-O-V,46.0,A6B2C13D2_mC92_15_3f_f_e6f_f:Ag-As-O-V +mp-1207863,V(AgO)4,-5.5294041856,-1.0626391935,0.0454316604,0.0454316604,GGA+U,I-4,A4B4C_tI18_82_g_g_a:Ag-O-V,9.0,A4B4C_tI18_82_g_g_a:Ag-O-V +mp-1193420,VAsO5,-7.4356346654,-1.9389963752,0.0096898121,-0.0132978027,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:As-O-V,28.0,AB5C_mP28_14_e_5e_e:As-O-V +mp-1376811,VAsO5,-7.3217841057,-1.8251458155,0.1235403718,0.100552757,GGA+U,P2_12_12_1,AB5C_oP28_19_a_5a_a:As-O-V,28.0,AB5C_oP28_19_a_5a_a:As-O-V +mp-510763,VAsO5,-7.4453244775,-1.9486861873,0.0,-0.0229876148,GGA+U,Pnma,AB5C_oP28_62_c_3cd_c:As-O-V,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_9c4d_c:As-O-V, expected VAsO17 to be VAsO5" +mp-1216491,V3As2O9,-7.9493480893,-2.1571942735,0.0199024895,0.0199024895,GGA+U,Cm,A2B9C3_mC28_8_2a_5a2b_3a:As-O-V,14.0,A2B9C3_mC28_8_2a_5a2b_3a:As-O-V +mp-1194395,V3As2O9,-7.9398848036,-2.1477309878,0.0293657752,0.0293657752,GGA+U,P4bm,A2B9C3_tP28_100_c_a2cd_ac:As-O-V,28.0,A2B9C3_tP28_100_c_a2cd_ac:As-O-V +mp-1225302,Fe5P3O17,-7.5502013512,-1.8428524848,0.1801573149,0.1801573149,GGA+U,Ama2,A5B17C3_oC100_40_a2c_3b7c_bc:Fe-O-P,50.0,A5B17C3_oC100_40_a2c_3b7c_bc:Fe-O-P +mp-650224,Fe7(P2O7)4,-7.992092694,-2.3850263582,0.0057946433,0.0057946433,GGA+U,C222_1,A7B28C8_oC172_20_2ab2c_14c_4c:Fe-O-P,86.0,"Invalid WP multiplicities - A7B28C8_oC172_20_4ab6c_51c_14c:Fe-O-P, expected Fe17(P14O51)2 to be Fe7(P2O7)4" +mp-3107,Ga3PO7,-6.8959466809,-2.4300910852,0.016045885,0.016045885,GGA,R3m,A3B7C_hR33_160_b_a2b_a:Ga-O-P,11.0,"Invalid WP multiplicities - A3B7C_hR33_160_b_a4b_a:Ga-O-P, expected Ga3PO13 to be Ga3PO7" +mp-1224904,Ga2Fe(PO4)3,-7.5020129283,-2.4949915222,0.0121975522,0.0121975522,GGA+U,C2,AB2C12D3_mC36_5_a_c_6c_bc:Fe-Ga-O-P,18.0,"Invalid WP multiplicities - AB2C12D3_mC36_5_a_c_12c_bc:Fe-Ga-O-P, expected Ga2Fe(PO8)3 to be Ga2Fe(PO4)3" +mp-1172918,Fe2(PO3)5,-7.8180160368,-2.4449757813,0.0318330816,0.0318330816,GGA+U,Pc,A2B15C5_mP44_7_2a_15a_5a:Fe-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_7_3a_29a_9a:Fe-O-P, expected Fe3P9O29 to be Fe2(PO3)5" +mp-705433,Fe5(P2O7)4,-7.793715952,-2.3263059515,0.0494622168,0.0494622168,GGA+U,P-1,A5B28C8_aP82_2_5i_28i_8i:Fe-O-P,82.0,"Invalid WP multiplicities - A5B28C8_aP82_2_9i_53i_16i:Fe-O-P, expected Fe9P16O53 to be Fe5(P2O7)4" +mp-1196540,Fe3P2O11,-7.4753014527,-1.8096611735,0.208689934,0.208689934,GGA+U,Pbcn,A3B11C2_oP64_60_ad_c5d_d:Fe-O-P,64.0,A3B11C2_oP64_60_ad_c5d_d:Fe-O-P +mp-1356526,Fe3P3O13,-7.6887496845,-2.1120694531,0.1003500914,0.1003500914,GGA+U,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Fe-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Fe-O-P, expected Fe5P3O34 to be Fe3P3O13" +mp-1205202,GaP2O9,-6.5283431965,-1.6637682434,0.3757928485,0.3757928485,GGA,P2_1,AB9C2_mP72_4_3a_27a_6a:Ga-O-P,72.0,"Invalid WP multiplicities - AB9C2_mP72_4_3a_54a_12a:Ga-O-P, expected Ga(P2O9)2 to be GaP2O9" +mp-1181366,Fe3(PO6)2,-7.2444440256,-1.6210950151,0.2785295567,0.2785295567,GGA+U,P2_1/c,A3B12C2_mP34_14_ae_6e_e:Fe-O-P,34.0,A3B12C2_mP34_14_ae_6e_e:Fe-O-P +mp-1225011,FePO4,-7.8986797014,-2.2869999411,0.0483318003,0.0078938576,GGA+U,P1,AB4C_aP36_1_6a_24a_6a:Fe-O-P,36.0,AB4C_aP36_1_6a_24a_6a:Fe-O-P +mp-2216699,FePO4,-7.9370548771,-2.3253751168,0.0099566246,-0.0304813181,GGA+U,P1,AB4C_aP24_1_4a_16a_4a:Fe-O-P,24.0,AB4C_aP24_1_4a_16a_4a:Fe-O-P +mp-753395,FePO4,-7.9371296583,-2.3254498981,0.0098818433,-0.0305560993,GGA+U,P-1,AB4C_aP12_2_i_4i_i:Fe-O-P,12.0,"Invalid WP multiplicities - AB4C_aP12_2_i_7i_i:Fe-O-P, expected FePO7 to be FePO4" +mp-2236419,FePO4,-7.9335015972,-2.3218218369,0.0135099044,-0.0269280382,GGA+U,C2,AB4C_mC36_5_ac_6c_bc:Fe-O-P,18.0,AB4C_aP18_1_3a_12a_3a:Fe-O-P +mp-753636,FePO4,-7.8539444058,-2.2422646456,0.0930670958,0.0526291532,GGA+U,Pc,AB4C_mP24_7_2a_8a_2a:Fe-O-P,24.0,AB4C_mP24_7_4a_16a_4a:Fe-O-P +mp-504276,FePO4,-7.9401235658,-2.3284438056,0.0068879358,-0.0335500068,GGA+U,Pc,AB4C_mP24_7_2a_8a_2a:Fe-O-P,24.0,AB4C_mP24_7_4a_16a_4a:Fe-O-P +mp-705201,FePO4,-7.9326275743,-2.320947814,0.0143839274,-0.0260540152,GGA+U,Cc,AB4C_mC192_9_8a_32a_8a:Fe-O-P,96.0,AB4C_mC192_9_16a_64a_16a:Fe-O-P +mp-704299,FePO4,-7.9367584403,-2.32507868,0.0102530614,-0.0301848813,GGA+U,Cc,AB4C_mC192_9_8a_32a_8a:Fe-O-P,96.0,AB4C_mC192_9_16a_64a_16a:Fe-O-P +mp-752872,FePO4,-7.8698585129,-2.2581787526,0.0771529888,0.0367150461,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Fe-O-P, expected FePO15 to be FePO4" +mp-694541,FePO4,-7.9104737529,-2.2987939926,0.0365377488,-0.0039001939,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_12e_e:Fe-O-P, expected FePO12 to be FePO4" +mp-504149,FePO4,-7.9362936843,-2.324613924,0.0107178174,-0.0297201253,GGA+U,P2_1/c,AB4C_mP72_14_3e_12e_3e:Fe-O-P,72.0,"Invalid WP multiplicities - AB4C_mP72_14_9e_46e_9e:Fe-O-P, expected Fe9P9O46 to be FePO4" +mp-561445,FePO4,-7.9373927454,-2.3257129851,0.0096187563,-0.0308191864,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Fe-O-P, expected FePO13 to be FePO4" +mp-1048924,FePO4,-7.7627507881,-2.1510710278,0.1842607135,0.1438227709,GGA+U,C2/c,AB4C_mC96_15_cef_8f_2f:Fe-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Fe-O-P, expected Fe7(PO5)12 to be FePO4" +mp-2234217,FePO4,-7.9269660294,-2.3152862692,0.0200454722,-0.0203924704,GGA+U,C222,AB4C_oC36_21_ak_3l_dk:Fe-O-P,18.0,"Invalid WP multiplicities - AB4C_mC36_5_a2c_12c_b2c:Fe-O-P, expected Fe5P5O24 to be FePO4" +mp-766460,FePO4,-7.9368149735,-2.3251352133,0.0101965281,-0.0302414145,GGA+U,Pca2_1,AB4C_oP48_29_2a_8a_2a:Fe-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_29_5a_29a_5a:Fe-O-P, expected Fe5P5O29 to be FePO4" +mp-766442,FePO4,-7.9375614925,-2.3258817322,0.0094500092,-0.0309879335,GGA+U,Pca2_1,AB4C_oP48_29_2a_8a_2a:Fe-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_29_5a_29a_5a:Fe-O-P, expected Fe5P5O29 to be FePO4" +mp-2234625,FePO4,-7.8641192092,-2.2524394489,0.0828922925,0.0424543499,GGA+U,Pmn2_1,AB4C_oP24_31_2a_4a2b_2a:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_31_2a_8a5b_2a:Fe-O-P, expected FePO9 to be FePO4" +mp-753756,FePO4,-7.924065438299999,-2.3123856781,0.0229460633,-0.0174918793,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_13a_a:Fe-O-P, expected FePO13 to be FePO4" +mp-540111,FePO4,-7.9420370321,-2.3303572718,0.0049744696,-0.0354634731,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_11a_a:Fe-O-P, expected FePO11 to be FePO4" +mp-26792,FePO4,-7.9206958667,-2.3090161064,0.026315635,-0.0141223076,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_14a_a:Fe-O-P, expected FePO14 to be FePO4" +mp-559295,FePO4,-7.9385852498,-2.3269054895,0.0084262519,-0.0320116908,GGA+U,Pbca,AB4C_oP48_61_c_4c_c:Fe-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_61_c_25c_c:Fe-O-P, expected FePO25 to be FePO4" +mp-776288,FePO4,-7.9171410396,-2.3054612793,0.0298704621,-0.0105674806,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Fe-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_6c3d_c:Fe-O-P, expected FePO12 to be FePO4" +mp-20361,FePO4,-7.9229067829,-2.3112270226,0.0241047188,-0.0163332239,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Fe-O-P,24.0,AB4C_oP24_62_c_2cd_c:Fe-O-P +mp-25303,FePO4,-7.9200968333,-2.3084170731,0.0269146683,-0.0135232743,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Fe-O-P,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_3f2g_c:Fe-O-P, expected FePO10 to be FePO4" +mp-760343,FePO4,-7.9470115017,-2.3353317414,0.0,-0.0404379426,GGA+U,I-4,AB4C_tI12_82_a_g_c:Fe-O-P,24.0,AB4C_tI12_82_a_g_c:Fe-O-P +mp-704220,FePO4,-7.9192460189,-2.3075662586,0.0277654828,-0.0126724599,GGA+U,R3,AB4C_hR108_146_2b_8b_2b:Fe-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_146_4b_22b_5b:Fe-O-P, expected Fe4P5O22 to be FePO4" +mp-19109,FePO4,-7.9399032989,-2.3282235386,0.0071082028,-0.0333297399,GGA+U,P3_121,AB4C_hP18_152_a_2c_b:Fe-O-P,18.0,AB4C_hP18_152_a_2c_b:Fe-O-P +mp-26612,FePO4,-7.7998809475,-2.1882011872,0.1471305542,0.1066926115,GGA+U,P31c,AB4C_hP36_159_c_a2b3c_a2b:Fe-O-P,36.0,"Invalid WP multiplicities - AB4C_hP36_159_c_2a3b7c_a2b:Fe-O-P, expected Fe3P3O26 to be FePO4" +mp-772512,FePO4,-7.9024030567,-2.2907232964,0.044608445,0.0041705024,GGA+U,R-3c,AB4C_hR108_167_bc_2f_e:Fe-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_167_2b2c_13f_e:Fe-O-P, expected Fe2PO26 to be FePO4" +mp-19752,FePO4,-7.9365707222,-2.3248909619,0.0104407794,-0.0299971632,GGA+U,P6_422,AB4C_hP18_181_c_k_d:Fe-O-P,36.0,AB4C_hP18_181_c_k_d:Fe-O-P +mp-26858,Fe5(PO4)4,-8.0316919116,-2.3056784933,0.0097325262,0.0097325262,GGA+U,P-1,A5B16C4_aP25_2_a2i_8i_2i:Fe-O-P,25.0,"Invalid WP multiplicities - A5B16C4_aP25_2_a3i_14i_2i:Fe-O-P, expected Fe7(PO7)4 to be Fe5(PO4)4" +mp-553932,GaPO4,-7.2913945325,-2.5867023035,0.0064154375,-0.0816288994,GGA,C222_1,AB4C_oC24_20_a_2c_b:Ga-O-P,12.0,"Invalid WP multiplicities - AB4C_oC24_20_a_4c_b:Ga-O-P, expected GaPO8 to be GaPO4" +mp-677335,GaPO4,-7.29780997,-2.593117741,0.0,-0.0880443369,GGA,I-4,AB4C_tI12_82_a_g_c:Ga-O-P,6.0,AB4C_tI12_82_a_g_c:Ga-O-P +mp-4122,GaPO4,-7.2872829917,-2.5825907626,0.0105269783,-0.0775173586,GGA,P3_121,AB4C_hP18_152_a_2c_b:Ga-O-P,18.0,AB4C_hP18_152_a_2c_b:Ga-O-P +mp-763780,Fe(PO3)3,-7.7326537508,-2.4072593561,0.072972866,0.0172622921,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Fe-O-P,26.0,"Invalid WP multiplicities - AB9C3_aP26_2_i_17i_5i:Fe-O-P, expected FeP5O17 to be Fe(PO3)3" +mp-540314,Fe(PO3)3,-7.7431707885,-2.4177763938,0.0624558283,0.0067452544,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Fe-O-P,52.0,AB9C3_aP26_2_i_9i_3i:Fe-O-P +mp-724325,Fe(PO3)3,-7.7403557502,-2.4149613555,0.0652708666,0.0095602927,GGA+U,P-1,AB9C3_aP52_2_2i_18i_6i:Fe-O-P,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_4i_36i_9i:Fe-O-P, expected Fe4(PO4)9 to be Fe(PO3)3" +mp-2226385,Fe(PO3)3,-7.7835233831,-2.4581289884,0.0221032337,-0.0336073402,GGA+U,P2_1,AB9C3_mP52_4_2a_18a_6a:Fe-O-P,52.0,"Invalid WP multiplicities - AB9C3_mP52_4_2a_33a_9a:Fe-O-P, expected Fe2(P3O11)3 to be Fe(PO3)3" +mp-541930,Fe(PO3)3,-7.8056266168,-2.4802322221,0.0,-0.0557105739,GGA+U,Cc,AB9C3_mC156_9_3a_27a_9a:Fe-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:Fe-O-P +mp-25310,Fe(PO3)3,-7.7905093877,-2.4651149930000003,0.0151172291,-0.0405933448,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Fe-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_8a:Fe-O-P, expected FeP8O33 to be Fe(PO3)3" +mp-759708,Fe(PO3)3,-7.6442313687,-2.3188369739,0.1613952481,0.1056846742,GGA+U,Pccn,AB9C3_oP52_56_a_c4e_de:Fe-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_56_a_2c15e_3d2e:Fe-O-P, expected FeP7O32 to be Fe(PO3)3" +mp-704206,Fe9(PO4)8,-7.9218167455,-2.2518034863,0.0733646215,0.0733646215,GGA+U,P-1,A9B32C8_aP49_2_bcd3i_16i_4i:Fe-O-P,49.0,"Invalid WP multiplicities - A9B32C8_aP49_2_bcd6i_31i_7i:Fe-O-P, expected Fe15(P7O31)2 to be Fe9(PO4)8" +mp-1212855,FePO5,-7.208606266,-1.691925227,0.3097876942,0.3097876942,GGA+U,C2/c,AB5C_mC84_15_ef_e7f_ef:Fe-O-P,42.0,AB5C_mC84_15_ef_e7f_ef:Fe-O-P +mp-31872,Fe5(P3O11)2,-7.9093107933,-2.3439449528000003,0.0380467964,0.0380467964,GGA+U,P2_1/c,A5B22C6_mP66_14_a2e_11e_3e:Fe-O-P,66.0,"Invalid WP multiplicities - A5B22C6_mP66_14_2a6e_39e_7e:Fe-O-P, expected Fe7P7O39 to be Fe5(P3O11)2" +mp-1101552,FeP4O13,-7.3558329636,-2.1097116034,0.1559666977,0.1559666977,GGA+U,P-1,AB13C4_aP36_2_i_13i_4i:Fe-O-P,36.0,"Invalid WP multiplicities - AB13C4_aP36_2_i_25i_8i:Fe-O-P, expected FeP8O25 to be FeP4O13" +mp-690584,Fe7(PO5)4,-7.9605759752,-2.1580878228,0.0369475928,0.0369475928,GGA+U,P-1,A7B20C4_aP31_2_acf2i_10i_2i:Fe-O-P,31.0,"Invalid WP multiplicities - A7B20C4_aP31_2_acf4i_19i_3i:Fe-O-P, expected Fe11(P3O19)2 to be Fe7(PO5)4" +mp-757367,Fe7(PO5)4,-7.9453152915,-2.1428271391,0.0522082766,0.0522082766,GGA+U,P2_1/c,A7B20C4_mP62_14_a3e_10e_2e:Fe-O-P,62.0,"Invalid WP multiplicities - A7B20C4_mP62_14_2a11e_37e_7e:Fe-O-P, expected Fe12P7O37 to be Fe7(PO5)4" +mp-1181396,FeP3O11,-6.8930109217,-1.6181106181,0.5314239744,0.5314239744,GGA+U,C2/c,AB11C3_mC60_15_c_e5f_ef:Fe-O-P,30.0,AB11C3_mC60_15_a_e5f_ef:Fe-O-P +mp-1101556,Fe3(PO4)4,-7.5768123004,-2.0894082554,0.1345693779,0.1345693779,GGA+U,P1,A3B16C4_aP69_1_9a_48a_12a:Fe-O-P,69.0,A3B16C4_aP69_1_9a_48a_12a:Fe-O-P +mp-1101553,Fe3(PO4)4,-7.5978850887,-2.1104810436,0.1134965896,0.1134965896,GGA+U,P-1,A3B16C4_aP46_2_bd2i_16i_4i:Fe-O-P,46.0,"Invalid WP multiplicities - A3B16C4_aP46_2_bd4i_30i_6i:Fe-O-P, expected Fe5(PO5)6 to be Fe3(PO4)4" +mp-31896,Fe3(PO4)4,-7.5830695383,-2.0956654932,0.12831214,0.12831214,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Fe-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_6a_32a_7a:Fe-O-P, expected Fe6P7O32 to be Fe3(PO4)4" +mp-25814,Fe3(PO4)4,-7.5427160276,-2.0553119825,0.1686656507,0.1686656507,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Fe-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_6a_32a_7a:Fe-O-P, expected Fe6P7O32 to be Fe3(PO4)4" +mp-31818,Fe3(PO4)4,-7.6142061515,-2.1268021064,0.0971755268,0.0971755268,GGA+U,P2_1/c,A3B16C4_mP46_14_ae_8e_2e:Fe-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_14_ae_25e_6e:Fe-O-P, expected Fe3(P6O25)2 to be Fe3(PO4)4" +mp-31829,Fe3(PO4)4,-7.5861009915,-2.0986969464,0.1252806868,0.1252806868,GGA+U,C2/c,A3B16C4_mC92_15_cf_8f_2f:Fe-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mC92_15_2a2f_30f_7f:Fe-O-P, expected Fe3P7O30 to be Fe3(PO4)4" +mp-540050,Fe3P3O11,-7.9796524457,-2.3288555649,0.0371162415,0.0371162415,GGA+U,P2_1/c,A3B11C3_mP68_14_3e_11e_3e:Fe-O-P,68.0,"Invalid WP multiplicities - A3B11C3_mP68_14_11e_39e_9e:Fe-O-P, expected Fe11(P3O13)3 to be Fe3P3O11" +mp-1204434,Fe(PO4)3,-6.8252758653,-1.5708887863,0.4442998942,0.4442998942,GGA+U,R-3c,AB12C3_hR96_167_b_2f_e:Fe-O-P,32.0,AB12C3_hR96_167_b_2f_e:Fe-O-P +mp-585418,Fe(PO3)4,-7.6081860688,-2.3444510234,0.0545024719,0.0545024719,GGA+U,P2_1,AB12C4_mP34_4_a_12a_4a:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mP34_4_a_22a_7a:Fe-O-P, expected FeP7O22 to be Fe(PO3)4" +mp-31874,Fe(PO3)4,-7.6153305488,-2.3515955034,0.0473579919,0.0473579919,GGA+U,C2/m,AB12C4_mC68_12_e_gi5j_2j:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_e_2hi19j_5j:Fe-O-P, expected FeP10O41 to be Fe(PO3)4" +mp-540072,Fe(PO3)4,-7.5825821788,-2.3188471334000003,0.0801063619,0.0801063619,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_21f_6f:Fe-O-P, expected Fe(P2O7)6 to be Fe(PO3)4" +mp-25964,Fe(PO3)4,-7.5876276138,-2.3238925684,0.0750609269,0.0750609269,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_22f_6f:Fe-O-P, expected Fe(P3O11)4 to be Fe(PO3)4" +mp-26270,Fe(PO3)4,-7.5923206291,-2.3285855837,0.0703679116,0.0703679116,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_a_19f_4f:Fe-O-P, expected Fe(P4O19)2 to be Fe(PO3)4" +mp-1354918,Fe(PO3)4,-7.5923937209,-2.3286586755,0.0702948198,0.0702948198,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_19f_4f:Fe-O-P, expected Fe(P4O19)2 to be Fe(PO3)4" +mp-26336,Fe(PO3)4,-7.5684720306,-2.3047369852,0.0942165101,0.0942165101,GGA+U,C2/c,AB12C4_mC68_15_e_2e5f_2f:Fe-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_3e16f_4f:Fe-O-P, expected FeP8O35 to be Fe(PO3)4" +mp-540077,Fe(PO3)4,-7.6093935591,-2.3456585137,0.0532949816,0.0532949816,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Fe-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_21d_5d:Fe-O-P, expected Fe(P5O21)2 to be Fe(PO3)4" +mp-504142,Fe(PO3)4,-7.5995677829,-2.3358327375,0.0631207577,0.0631207577,GGA+U,Pnma,AB12C4_oP68_62_c_4c4d_2cd:Fe-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_62_c_16c13d_5c4d:Fe-O-P, expected FeP13O42 to be Fe(PO3)4" +mp-1172919,Fe(PO3)4,-7.0602538609,-1.7965188155,0.6024346798,0.6024346798,GGA+U,Pnma,AB12C4_oP68_62_c_4c4d_2cd:Fe-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_62_c_16c15d_5c4d:Fe-O-P, expected FeP13O46 to be Fe(PO3)4" +mp-705395,Fe3P4O15,-7.7521418815,-2.2401598667,0.084907659,0.084907659,GGA+U,Pna2_1,A3B15C4_oP88_33_3a_15a_4a:Fe-O-P,88.0,"Invalid WP multiplicities - A3B15C4_oP88_33_7a_58a_15a:Fe-O-P, expected Fe7P15O58 to be Fe3P4O15" +mp-1101558,Fe3P4O15,-7.7757786066,-2.2637965918000003,0.0612709339,0.0612709339,GGA+U,Pna2_1,A3B15C4_oP88_33_3a_15a_4a:Fe-O-P,88.0,"Invalid WP multiplicities - A3B15C4_oP88_33_9a_57a_13a:Fe-O-P, expected Fe9P13O57 to be Fe3P4O15" +mp-1101565,Fe3(P2O7)2,-7.5407056881,-2.0018049446,0.4068496663,0.3920406265,GGA+U,P1,A3B14C4_aP21_1_3a_14a_4a:Fe-O-P,21.0,A3B14C4_aP21_1_3a_14a_4a:Fe-O-P +mp-26860,Fe3(P2O7)2,-7.8370283243,-2.2981275808,0.1105270301,0.0957179904,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Fe-O-P,21.0,"Invalid WP multiplicities - A3B14C4_aP21_2_ai_14i_3i:Fe-O-P, expected Fe3(P3O14)2 to be Fe3(P2O7)2" +mp-26986,Fe3(P2O7)2,-7.905954969,-2.3670542255,0.0416003854,0.0267913456,GGA+U,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Fe-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_2a2e_27e_3e:Fe-O-P, expected FePO9 to be Fe3(P2O7)2" +mp-559713,Fe3(P2O7)2,-7.9475553544,-2.4086546109,0.0,-0.0148090398,GGA+U,Pnma,A3B14C4_oP84_62_cd_2c6d_2d:Fe-O-P,84.0,"Invalid WP multiplicities - A3B14C4_oP84_62_4c5d_8c40d_11d:Fe-O-P, expected Fe7(PO4)11 to be Fe3(P2O7)2" +mp-647209,Ga4P4O17,-7.0764688575,-2.3620967691,0.1272962622,0.1272962622,GGA,Fm-3c,A4B17C4_cF600_226_i_c2ij_i:Ga-O-P,150.0,"Invalid WP multiplicities - A4B17C4_cF600_226_i_6c40i25j_i:Ga-O-P, expected Ga2P2O183 to be Ga4P4O17" +mp-31780,Fe4(PO4)3,-8.0516710455,-2.2895522616,0.0195680037,0.0195680037,GGA+U,Cc,A4B12C3_mC76_9_4a_12a_3a:Fe-O-P,38.0,A4B12C3_mC76_9_8a_24a_6a:Fe-O-P +mp-25826,Fe4(PO4)3,-8.0260954629,-2.2639766789,0.0451435863,0.0451435863,GGA+U,C2/c,A4B12C3_mC76_15_2ef_6f_ef:Fe-O-P,38.0,"Invalid WP multiplicities - A4B12C3_mC76_15_4e3f_23f_2e3f:Fe-O-P, expected Fe5P4O23 to be Fe4(PO4)3" +mp-704185,Fe4(PO4)3,-7.9701453005,-2.2080265166,0.1010937487,0.1010937487,GGA+U,Pnma,A4B12C3_oP76_62_2d_2c5d_cd:Fe-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_62_13d_8c33d_3c4d:Fe-O-P, expected Fe26P11O74 to be Fe4(PO4)3" +mp-26756,Fe4P7O24,-7.8081768527,-2.3654988111,0.0172013161,0.0172013161,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Fe-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_7i_47i_13i:Fe-O-P, expected Fe7P13O47 to be Fe4P7O24" +mp-510351,Fe7(PO4)6,-8.0100178359,-2.3210856041,0.0007861901,0.0007861901,GGA+U,P-1,A7B24C6_aP37_2_a3i_12i_3i:Fe-O-P,37.0,A7B24C6_aP37_2_a3i_12i_3i:Fe-O-P +mp-15560,Ga(PO3)3,-7.4753047464,-2.5685199815,0.0,-0.0579747883,GGA,Cc,AB9C3_mC156_9_3a_27a_9a:Ga-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:Ga-O-P +mp-1380484,FeP2O7,-7.4016735825,-2.0093288623,0.3034216045,0.3034216045,GGA+U,P1,AB7C2_aP40_1_4a_28a_8a:Fe-O-P,40.0,AB7C2_aP40_1_4a_28a_8a:Fe-O-P +mp-697733,FeP2O7,-7.617380905,-2.2250361848,0.087714282,0.087714282,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_2i_27i_8i:Fe-O-P, expected Fe2P8O27 to be FeP2O7" +mp-26564,FeP2O7,-7.6083381485,-2.2159934283,0.0967570385,0.0967570385,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Fe-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Fe-O-P, expected FeP2O13 to be FeP2O7" +mp-26626,FeP2O7,-7.5237539855,-2.1314092653,0.1813412015,0.1813412015,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Fe-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Fe-O-P, expected FeP2O13 to be FeP2O7" +mp-25246,FeP2O7,-7.5323746825,-2.1400299623,0.1727205045,0.1727205045,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Fe-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_13a_2a:Fe-O-P, expected FeP2O13 to be FeP2O7" +mp-26182,FeP2O7,-7.625308369,-2.2329636488,0.079786818,0.079786818,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Fe-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b5c_c:Fe-O-P, expected FeP2O11 to be FeP2O7" +mp-540440,FeP2O7,-7.5869980465,-2.1946533263,0.1180971405,0.1180971405,GGA+U,Cc,AB7C2_mC40_9_a_7a_2a:Fe-O-P,20.0,"Invalid WP multiplicities - AB7C2_mC40_9_a_13a_4a:Fe-O-P, expected FeP4O13 to be FeP2O7" +mp-26614,FeP2O7,-7.6091316715,-2.2167869513,0.0959635155,0.0959635155,GGA+U,C2/m,AB7C2_mC40_12_g_3i2j_2i:Fe-O-P,20.0,"Invalid WP multiplicities - AB7C2_mC40_12_g_6i4j_4i:Fe-O-P, expected Fe(P2O7)2 to be FeP2O7" +mp-766012,FeP2O7,-7.6556858358,-2.2633411155,0.0494093512,0.0494093512,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_5e:Fe-O-P, expected Fe(PO5)5 to be FeP2O7" +mp-26566,FeP2O7,-7.651575681,-2.2592309608,0.053519506,0.053519506,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_23e_6e:Fe-O-P, expected FeP6O23 to be FeP2O7" +mp-26750,FeP2O7,-7.6343067422,-2.241962022,0.0707884447,0.0707884447,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_4e:Fe-O-P, expected FeP4O27 to be FeP2O7" +mp-690058,FeP2O7,-7.5959129852,-2.203568265,0.1091822017,0.1091822017,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_26e_4e:Fe-O-P, expected Fe(P2O13)2 to be FeP2O7" +mp-26644,FeP2O7,-7.6509324202,-2.2585877,0.0541627667,0.0541627667,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_7e:Fe-O-P, expected FeP7O25 to be FeP2O7" +mp-1048396,FeP2O7,-7.5947413947,-2.2023966745,0.1103537922,0.1103537922,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_28e_5e:Fe-O-P, expected FeP5O28 to be FeP2O7" +mp-1197159,FeP2O7,-7.5479614214,-2.1556167012,0.1571337656,0.1571337656,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Fe-O-P,80.0,AB7C2_mP80_14_2e_14e_4e:Fe-O-P +mp-26214,FeP2O7,-7.6327972028,-2.2404524825,0.0722979842,0.0722979842,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Fe-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_27f_3f:Fe-O-P, expected Fe(PO9)3 to be FeP2O7" +mp-636960,Fe4P2O9,-8.123915036,-2.175455819,0.0129178917,0.0129178917,GGA+U,P2_1/c,A4B9C2_mP60_14_4e_9e_2e:Fe-O-P,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_14e_34e_6e:Fe-O-P, expected Fe7P3O17 to be Fe4P2O9" +mp-1196792,FePO6,-6.9144655794,-1.4690335814,0.2824652247,0.2824652247,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Fe-O-P,32.0,AB6C_mP32_14_e_6e_e:Fe-O-P +mp-1201977,FePO6,-6.7161355256,-1.2707035276,0.4807952784,0.4807952784,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Fe-O-P,32.0,AB6C_mP32_14_e_6e_e:Fe-O-P +mp-1213605,FePO6,-6.8883720448,-1.4429400468,0.3085587592,0.3085587592,GGA+U,Pbca,AB6C_oP64_61_c_6c_c:Fe-O-P,64.0,AB6C_oP64_61_c_6c_c:Fe-O-P +mp-27016,Fe2P5O16,-7.7415601217,-2.3870568899,0.0203571777,0.0203571777,GGA+U,P2/c,A2B16C5_mP46_13_g_8g_e2g:Fe-O-P,46.0,"Invalid WP multiplicities - A2B16C5_mP46_13_g_27g_2e6g:Fe-O-P, expected FeP7O27 to be Fe2P5O16" +mp-746730,FeP4O11,-7.624892284199999,-2.3413418429,0.1370353953,0.1164804797,GGA+U,P-1,AB11C4_aP64_2_2i_22i_8i:Fe-O-P,64.0,AB11C4_aP64_2_2i_22i_8i:Fe-O-P +mp-759779,FeP4O11,-7.7616513798,-2.4781009386,0.0002762997,-0.0202786159,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Fe-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_41e_13e:Fe-O-P, expected FeP13O41 to be FeP4O11" +mp-759361,FeP4O11,-7.7619276795,-2.4783772383,0.0,-0.0205549156,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Fe-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_15e:Fe-O-P, expected FeP15O43 to be FeP4O11" +mp-1203829,Fe4(PO5)3,-7.6277367461,-1.9768129721,0.1279873992,0.1279873992,GGA+U,C2/c,A4B15C3_mC88_15_2f_e7f_ef:Fe-O-P,44.0,A4B15C3_mC88_15_2f_e7f_ef:Fe-O-P +mp-1102399,Fe2P2O7,-8.0459315027,-2.3737980107,0.0,-0.0052493431,GGA+U,P1,A2B7C2_aP11_1_2a_7a_2a:Fe-O-P,22.0,"Invalid WP multiplicities - A2B7C2_aP11_1_4a_7a_2a:Fe-O-P, expected Fe4P2O7 to be Fe2P2O7" +mp-510367,Fe2P2O7,-8.0255486659,-2.3534151739,0.0203828368,0.0151334938,GGA+U,P2_1/c,A2B7C2_mP22_14_e_a3e_e:Fe-O-P,22.0,"Invalid WP multiplicities - A2B7C2_mP22_14_e_a4e_e:Fe-O-P, expected Fe2P2O9 to be Fe2P2O7" +mp-540145,Fe(PO3)5,-7.5102805745,-2.2847156025,0.0639224905,0.0639224905,GGA+U,P2_1/m,AB15C5_mP42_11_a_3e6f_e2f:Fe-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_11_a_5e12f_e4f:Fe-O-P, expected FeP9O29 to be Fe(PO3)5" +mp-26120,Fe(PO3)5,-7.4703791724,-2.2448142004,0.1038238926,0.1038238926,GGA+U,P2_1/m,AB15C5_mP42_11_a_3e6f_e2f:Fe-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_11_a_5e14f_2e5f:Fe-O-P, expected Fe(P4O11)3 to be Fe(PO3)5" +mp-759643,Fe5P3O13,-8.0212527226,-2.1690162076,0.0848955775,0.0848955775,GGA+U,P-1,A5B13C3_aP42_2_5i_13i_3i:Fe-O-P,42.0,"Invalid WP multiplicities - A5B13C3_aP42_2_9i_25i_5i:Fe-O-P, expected Fe9(PO5)5 to be Fe5P3O13" +mp-763767,Fe5P3O13,-8.0497819269,-2.1975454118,0.0563663733,0.0563663733,GGA+U,P2_1/m,A5B13C3_mP42_11_3ef_7e3f_3e:Fe-O-P,42.0,"Invalid WP multiplicities - A5B13C3_mP42_11_6e3f_14e11f_5e:Fe-O-P, expected Fe12P5O36 to be Fe5P3O13" +mp-649683,Fe(PO3)2,-7.9137260653,-2.4718640107,0.0,-0.0360931244,GGA+U,C2/c,AB6C2_mC72_15_ce_6f_2f:Fe-O-P,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_ce_23f_5f:Fe-O-P, expected FeP5O23 to be Fe(PO3)2" +mp-1192118,Fe3(PO8)2,-6.3309485219,-0.8364871875000001,0.7013041325,0.7013041325,GGA+U,P-1,A3B16C2_aP21_2_ai_8i_i:Fe-O-P,21.0,A3B16C2_aP21_2_ai_8i_i:Fe-O-P +mp-1192633,Fe3(PO8)2,-6.6214279357,-1.1269666013,0.4108247187,0.4108247187,GGA+U,P-1,A3B16C2_aP21_2_ai_8i_i:Fe-O-P,21.0,A3B16C2_aP21_2_ai_8i_i:Fe-O-P +mp-1195420,Fe3(PO8)2,-6.6498947186,-1.1554333841,0.3823579359,0.3823579359,GGA+U,P-1,A3B16C2_aP42_2_3i_16i_2i:Fe-O-P,42.0,A3B16C2_aP42_2_3i_16i_2i:Fe-O-P +mp-1181400,Fe3(PO8)2,-6.582150349,-1.0876890146,0.4501023054,0.4501023054,GGA+U,C2/m,A3B16C2_mC42_12_ag_2i3j_i:Fe-O-P,21.0,A3B16C2_mC42_12_ag_2i3j_i:Fe-O-P +mp-1191345,Fe3(PO8)2,-6.6398130048,-1.1453516703,0.3924396497,0.3924396497,GGA+U,C2/m,A3B16C2_mC42_12_ag_2i3j_i:Fe-O-P,21.0,A3B16C2_mC42_12_ag_2i3j_i:Fe-O-P +mp-27102,Fe4P9O32,-7.4917637027,-2.1385671213,0.119778054,0.119778054,GGA+U,P-42_1c,A4B32C9_tP90_114_e_8e_a2e:Fe-O-P,90.0,"Invalid WP multiplicities - A4B32C9_tP90_114_e_54e_2a10e:Fe-O-P, expected Fe2(P7O36)3 to be Fe4P9O32" +mp-697819,Fe2P3O13,-6.974578275,-1.5586392091,0.5046660751000001,0.5046660751000001,GGA+U,P-1,A2B13C3_aP36_2_2i_13i_3i:Fe-O-P,36.0,"Invalid WP multiplicities - A2B13C3_aP36_2_2i_24i_6i:Fe-O-P, expected Fe(PO4)3 to be Fe2P3O13" +mp-1203504,Fe2P3O13,-6.8896829031,-1.4737438372,0.5895614471,0.5895614471,GGA+U,P2_1,A2B13C3_mP36_4_2a_13a_3a:Fe-O-P,36.0,A2B13C3_mP36_4_2a_13a_3a:Fe-O-P +mp-1178257,Fe7(PO4)8,-7.74144139,-2.1905774052,0.0902619002,0.0902619002,GGA+U,Cm,A7B32C8_mC94_8_3a2b_8a12b_4a2b:Fe-O-P,47.0,"Invalid WP multiplicities - A7B32C8_mC94_8_3a4b_8a24b_4a4b:Fe-O-P, expected Fe11(P3O14)4 to be Fe7(PO4)8" +mp-1041062,Fe2P2O9,-7.568763159,-2.0082365564,0.1474542818,0.1474542818,GGA+U,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Fe-O-P,52.0,"Invalid WP multiplicities - A2B9C2_oP52_62_ac_7c2d_2c:Fe-O-P, expected Fe2P2O11 to be Fe2P2O9" +mp-18775,Fe3PO7,-7.9478117418,-1.9977947313,0.0523201864,0.0523201864,GGA+U,R3m,A3B7C_hR33_160_b_a2b_a:Fe-O-P,11.0,"Invalid WP multiplicities - A3B7C_hR33_160_b_a3b_a:Fe-O-P, expected Fe3PO10 to be Fe3PO7" +mp-26704,Fe2(PO4)3,-7.4550776297,-2.0115356018,0.1731405815,0.1731405815,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Fe-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_21f_f:Fe-O-P, expected FePO21 to be Fe2(PO4)3" +mp-26412,Fe2(PO4)3,-7.5256920976,-2.0821500697,0.1025261136,0.1025261136,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Fe-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_5e_47e_9e:Fe-O-P, expected Fe5P9O47 to be Fe2(PO4)3" +mp-25300,Fe2(PO4)3,-7.5320171565,-2.0884751285,0.0962010548,0.0962010548,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Fe-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_2c_21f_f:Fe-O-P, expected Fe2(PO21)3 to be Fe2(PO4)3" +mp-26582,Fe2(PO4)3,-7.5322311715,-2.0886891435,0.0959870398,0.0959870398,GGA+U,R-3c,A2B12C3_hR102_167_c_2f_e:Fe-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_11f_e:Fe-O-P, expected Fe2(PO22)3 to be Fe2(PO4)3" +mp-1225240,Fe3(PO5)2,-7.7646397013,-2.0510693176,0.1018385304,0.1018385304,GGA+U,C2/m,A3B10C2_mC30_12_ae_3ij_i:Fe-O-P,15.0,"Invalid WP multiplicities - A3B10C2_mC30_12_af_5i2j_i:Fe-O-P, expected Fe3(PO9)2 to be Fe3(PO5)2" +mp-1194229,Fe3(PO5)2,-7.8003316377,-2.0867612539,0.066146594,0.066146594,GGA+U,P2_1/c,A3B10C2_mP30_14_ae_5e_e:Fe-O-P,30.0,A3B10C2_mP30_14_ae_5e_e:Fe-O-P +mp-1199824,Ga3P6O31,-5.746912213,-0.8741258841,0.9614790986,0.9614790986,GGA,Cc,A3B31C6_mC160_9_3a_31a_6a:Ga-O-P,80.0,"Invalid WP multiplicities - A3B31C6_mC160_9_3a_61a_12a:Ga-O-P, expected Ga3P12O61 to be Ga3P6O31" +mp-1225104,Fe9PO12,-8.0094790623,-1.6002173381,0.1487489532,0.1487489532,GGA+U,Amm2,A9B12C_oC44_38_a4b2d_6b3d_a:Fe-O-P,22.0,"Invalid WP multiplicities - A9B12C_oC44_38_a4b3d_6b4d_a:Fe-O-P, expected Fe11PO14 to be Fe9PO12" +mp-562456,Fe3(PO4)2,-8.1103440983,-2.2787919188,0.0182307421,-0.0194220956,GGA+U,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:Fe-O-P,52.0,"Invalid WP multiplicities - A3B8C2_mP52_14_7e_29e_3e:Fe-O-P, expected Fe7P3O29 to be Fe3(PO4)2" +mp-19346,Fe3(PO4)2,-8.1285748404,-2.2970226609,0.0,-0.0376528377,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Fe-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_ae_5e_e:Fe-O-P, expected Fe3(PO5)2 to be Fe3(PO4)2" +mp-764875,Fe3(PO4)2,-8.0799967264,-2.2484445469,0.048578114,0.0109252763,GGA+U,P2_1/c,A3B8C2_mP156_14_9e_24e_6e:Fe-O-P,156.0,"Invalid WP multiplicities - A3B8C2_mP156_14_35e_95e_21e:Fe-O-P, expected Fe35P21O95 to be Fe3(PO4)2" +mp-1204155,Fe3P2O9,-7.9055615714,-2.1372139254,0.1115605992,0.1115605992,GGA+U,P2_1/c,A3B9C2_mP56_14_3e_9e_2e:Fe-O-P,56.0,A3B9C2_mP56_14_3e_9e_2e:Fe-O-P +mp-560126,Fe4(P2O7)3,-7.8812021266,-2.3895775196,0.0065189395,0.0065189395,GGA+U,P2_1/c,A4B21C6_mP124_14_4e_21e_6e:Fe-O-P,124.0,"Invalid WP multiplicities - A4B21C6_mP124_14_16e_83e_23e:Fe-O-P, expected Fe16P23O83 to be Fe4(P2O7)3" +mp-1204574,Fe3P8O37,-6.1590968128,-0.9144308545,0.9108512797,0.9108512797,GGA+U,C2/c,A3B37C8_mC192_15_ef_e18f_4f:Fe-O-P,96.0,A3B37C8_mC192_15_ef_e18f_4f:Fe-O-P +mp-25884,Fe3(P3O10)2,-7.7774722919,-2.3697601231,0.0227403598,0.0227403598,GGA+U,C222_1,A3B20C6_oC116_20_2ab_10c_3c:Fe-O-P,58.0,"Invalid WP multiplicities - A3B20C6_oC116_20_2a3b_36c_11c:Fe-O-P, expected Fe5(P11O36)2 to be Fe3(P3O10)2" +mp-553913,Fe2PO5,-8.062685,-2.1768364396,0.0070201723,0.0070201723,GGA+U,C2/c,A2B5C_mC32_15_ac_e2f_e:Fe-O-P,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_2a2c_e6f_e:Fe-O-P, expected Fe4PO13 to be Fe2PO5" +mp-18830,Fe2PO5,-8.03271394,-2.1468653796,0.0369912323,0.0369912323,GGA+U,I4_1/amd,A2B5C_tI32_141_c_ah_b:Fe-O-P,16.0,A2B5C_tI32_141_c_ah_b:Fe-O-P +mp-1205225,FeP2O9,-6.7472197106,-1.4291509918,0.4981410638,0.4981410638,GGA+U,P31c,AB9C2_hP72_159_a2b_9c_2c:Fe-O-P,72.0,AB9C2_hP72_159_a2b_9c_2c:Fe-O-P +mp-27008,Fe2P3O10,-7.8966919873,-2.3869028505,0.0407145803,0.0407145803,GGA+U,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Fe-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_8e10f_5e:Fe-O-P, expected Fe2P5O28 to be Fe2P3O10" +mp-28277,K2PrI5,-3.5422897047,-1.7462227798,0.0,-0.0276487128,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:I-K-Pr,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_7c3d_d_c:I-K-Pr, expected K2PrI13 to be K2PrI5" +mp-1110955,K3PrI6,-3.32952588,-1.6342958104,0.1038419757,0.1038419757,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Pr,10.0,A6B3C_cF40_225_e_ac_b:I-K-Pr +mp-568343,KPr6OsI10,-4.5707416251,-1.473138047,0.0,-0.0126817166,GGA,Pnma,A10BCD6_oP72_62_2c4d_c_c_2c2d:I-K-Os-Pr,72.0,"Invalid WP multiplicities - A10BCD6_oP72_62_7c24d_c_c_7c14d:I-K-Os-Pr, expected KPr35OsI55 to be KPr6OsI10" +mp-569677,Sr2IN,-4.585333095,-1.2881210496,0.0,-0.1136344153,GGA,R-3m,ABC2_hR12_166_a_b_c:I-N-Sr,4.0,ABC2_hR12_166_a_b_c:I-N-Sr +mp-1218563,Sr4IBrN2,-4.7183235775,-1.4111537846,0.0015302438,0.0015302438,GGA,R-3m,ABC2D4_hR24_166_a_b_c_2c:Br-I-N-Sr,8.0,"Invalid WP multiplicities - ABC2D4_hR24_166_a_b_c_3c:Br-I-N-Sr, expected Sr6IBrN2 to be Sr4IBrN2" +mp-1218278,SrIBr,-3.8122392275,-2.2402765164,0.0382257371,0.0382257371,GGA,Pnma,ABC_oP12_62_c_c_c:Br-I-Sr,12.0,ABC_oP12_62_c_c_c:Br-I-Sr +mp-1205028,H15IrBr3N5,-5.0372466305,-0.6176264443,0.0,-0.0149288984,GGA,Pnma,A3B15CD5_oP96_62_cd_3c6d_c_3cd:Br-H-Ir-N,96.0,A3B15CD5_oP96_62_cd_3c6d_c_3cd:Br-H-Ir-N +mp-1205907,Ir(Br3N)2,-3.23779433,0.63216056,0.9750109311,0.9750109311,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Br-Ir-N,9.0,A6BC2_cF36_225_e_a_c:Br-Ir-N +mp-1110957,K3MoI6,-3.429879747,-1.1281752419,0.0983682538,0.0983682538,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Mo,10.0,A6B3C_cF40_225_e_ac_b:I-K-Mo +mp-1110909,K2CuMoI6,-3.429915325,-0.8293300476000001,0.1365132045,0.1365132045,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Mo +mp-675921,Ce3NF6,-7.474390463,-3.7139268435,0.0684796247,0.0684796247,GGA,P1,A3B6C_aP10_1_3a_6a_a:Ce-F-N,10.0,A3B6C_aP10_1_3a_6a_a:Ce-F-N +mp-1078939,MnNF3,-5.740768627,-1.0941792031,1.119109688,1.119109688,GGA+U,Pbam,A3BC_oP10_55_ah_b_c:F-Mn-N,10.0,A3BC_oP10_55_ah_b_c:F-Mn-N +mp-1180181,MnNF3,-5.7410479275,-1.0944585036,1.1188303875,1.1188303875,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Mn-N,20.0,A3BC_oP20_62_cd_a_c:F-Mn-N +mp-1180187,MnNF3,-5.733183362,-1.0865939381,1.126694953,1.126694953,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:F-Mn-N,20.0,A3BC_oP20_62_cd_a_c:F-Mn-N +mp-1180159,MnNF3,-5.741886318,-1.0952968941,1.117991997,1.117991997,GGA+U,P4/mbm,A3BC_tP10_127_cg_d_b:F-Mn-N,10.0,A3BC_tP10_127_cg_d_b:F-Mn-N +mp-1069166,MnNF3,-5.361810624,-0.7152212001,1.498067691,1.498067691,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Mn-N,5.0,A3BC_cP5_221_c_b_a:F-Mn-N +mp-10068,Ce2MnN3,-9.10583867,-1.4328922738,0.0,-0.1541766217,GGA,Immm,A2BC3_oI12_71_e_a_ce:Ce-Mn-N,6.0,A2BC3_oI12_71_e_a_ce:Ce-Mn-N +mp-1226975,Ce2MnN3F,-8.4891228229,-1.6392432022,0.2276428073,0.2276428073,GGA+U,I4mm,A2BCD3_tI14_107_2a_a_a_ab:Ce-F-Mn-N,7.0,A2BCD3_tI14_107_2a_a_a_ab:Ce-F-Mn-N +mp-1182846,Ce(NF3)2,-5.5773172978000005,-1.7912114300000002,0.4645260135,0.4645260135,GGA,P1,AB6C2_aP36_1_4a_24a_8a:Ce-F-N,36.0,AB6C2_aP36_1_4a_24a_8a:Ce-F-N +mp-1202287,MnN2F5,-5.0087210225,-0.5846710251,0.914348845,0.914348845,GGA+U,Pnma,A5BC2_oP32_62_c2d_a_2c:F-Mn-N,32.0,A5BC2_oP32_62_c2d_a_2c:F-Mn-N +mp-1212022,K2HoF5,-5.8216551025,-3.7765799023,0.0,-0.0071376791,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:F-Ho-K,32.0,A5BC2_oP32_62_3cd_c_d:F-Ho-K +mp-558826,KHoBeF6,-6.2239343228,-3.9015904909,0.0,-0.012850387,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Ho-K,18.0,"Invalid WP multiplicities - AB6CD_mP18_11_e_4e3f_e_e:Be-F-Ho-K, expected KHoBeF10 to be KHoBeF6" +mp-1202279,KHoF4,-6.2557340891,-4.0326134746,0.0,-0.0085548559,GGA,P3_1,A4BC_hP108_144_24a_6a_6a:F-Ho-K,108.0,A4BC_hP108_144_24a_6a_6a:F-Ho-K +mp-1211714,K3HoF6,-5.549787424,-3.6115394724,0.0,-0.003091446,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:F-Ho-K,20.0,A6BC3_mP20_14_3e_a_be:F-Ho-K +mp-1206666,K3HoF6,-5.448071469,-3.5098235174,0.101715955,0.098624509,GGA,I4/mmm,A6BC3_tI20_139_ei_a_bd:F-Ho-K,10.0,A6BC3_tI20_139_ei_a_bd:F-Ho-K +mp-1206658,K3HoF6,-5.482842512,-3.5445945604,0.066944912,0.063853466,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ho-K,10.0,A6BC3_cF40_225_e_a_bc:F-Ho-K +mp-1202587,KHo2F7,-6.5871907865,-4.2216338406,0.0004077513,-0.0004210175,GGA,Cm,A7B2C_mC80_8_10a9b_2a3b_4a:F-Ho-K,40.0,A7B2C_mC80_8_10a9b_2a3b_4a:F-Ho-K +mp-31030,KHo2F7,-6.5875985377,-4.2220415918,0.0,-0.0008287688,GGA,C2/m,A7B2C_mC80_12_g5i4j_hij_2i:F-Ho-K,40.0,"Invalid WP multiplicities - A7B2C_mC80_12_2g10i15j_2h2i4j_2i:F-Ho-K, expected KHo6F21 to be KHo2F7" +mp-1211478,KHo3F10,-6.7286422032,-4.3020411152,0.0,-0.0105047605,GGA,Fm-3m,A10B3C_cF112_225_fh_e_c:F-Ho-K,28.0,A10B3C_cF112_225_fh_e_c:F-Ho-K +mp-1120792,K3Bi2I9,-2.91459303,-1.1808450121,0.0169299993,0.0169299993,GGA,C2/c,A2B9C3_mC56_15_f_e4f_ef:Bi-I-K,28.0,"Invalid WP multiplicities - A2B9C3_mC56_15_f_2e11f_2e2f:Bi-I-K, expected K3BiI12 to be K3Bi2I9" +mp-1110960,K3BiI6,-2.847655812,-1.2464674049,0.1037144465,0.1037144465,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Bi-I-K,10.0,AB6C3_cF40_225_a_e_bc:Bi-I-K +mp-1110941,K2LiBiI6,-2.901283134,-1.2202423349,0.0783094535,0.0783094535,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Li +mp-1221614,Mn6Ga2CN,-6.05909843,1.8002459915,2.0448060075,2.0448060075,GGA,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:C-Ga-Mn-N,10.0,AB2C6D_tP10_123_c_g_abi_d:C-Ga-Mn-N +mp-1245980,Ga2(CN2)3,-7.6988696655,-0.0842189316,0.1546235661,0.1546235661,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Ga-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Ga-N +mp-1245974,Ga2(CN2)3,-7.79261893,-0.1779681961,0.0608743016,0.0608743016,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Ga-N,22.0,A3B2C6_hR66_167_e_c_f:C-Ga-N +mp-1245347,Ga3C3N7,-7.4110368506,-0.0936715413,0.2094747058,0.2094747058,GGA,P2_12_12_1,A3B3C7_oP104_19_6a_6a_14a:C-Ga-N,104.0,A3B3C7_oP104_19_6a_6a_14a:C-Ga-N +mp-1246040,Ga(C2N3)3,-8.1766587419,0.1626252145,0.2447273231,0.2447273231,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Ga-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Ga-N +mp-1112308,CsK2MoF6,-5.392355517,-2.8492830989,0.113998315,0.113998315,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Mo +mp-557133,Cs2KMoF6,-5.512663706,-2.9910909454,0.0,-0.137857021,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Mo,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Mo +mp-553896,K3MoF6,-5.500043958,-2.9354718824,0.0,-0.0673550445,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Mo,10.0,A6B3C_cF40_225_e_ac_b:F-K-Mo +mp-1237443,K3IrF6,-4.859735066,-2.4958845834,0.056716002,0.056716002,GGA,P-1,A6BC3_aP10_2_3i_a_bcd:F-Ir-K,10.0,A6BC3_aP10_2_3i_a_bcd:F-Ir-K +mp-1205811,K3IrF6,-4.861835666,-2.4979851834,0.054615402,0.054615402,GGA,R-3m,A6BC3_hR30_166_h_a_d:F-Ir-K,10.0,A6BC3_mC20_12_ij_c_ae:F-Ir-K +mp-1111425,K3IrF6,-4.878493729,-2.5146432464,0.037957339,0.037957339,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ir-K,10.0,A6BC3_cF40_225_e_a_bc:F-Ir-K +mp-11174,K2IrF6,-4.9798998067,-2.4767769312,0.0,-0.1403479446,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ir-K,9.0,A6BC2_hP9_164_i_a_d:F-Ir-K +mp-1111422,K2TlIrF6,-4.770935082,-2.2818601794,0.08477571,0.08477571,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Tl +mp-1110965,K2NaBiI6,-2.848035113,-1.2256340713,0.0803808755,0.0803808755,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Na +mp-1192681,LiTcH6O7,-6.0774681467,-1.5939522093,0.0,-0.0543820738,GGA,P6_3mc,A6BC7D_hP30_186_d_a_b2c_b:H-Li-O-Tc,30.0,A6BC7D_hP30_186_d_a_b2c_b:H-Li-O-Tc +mp-1414602,Ca(WN)2,-9.073494096,-0.154524058,0.4849308137,0.4849308137,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Ca-N-W,5.0,AB2C2_tP5_115_a_g_f:Ca-N-W +mp-731858,W2N5Cl6,-6.7779002685,-0.7248268035000001,0.1894652638,0.1894652638,GGA,P-1,A6B5C2_aP26_2_6i_5i_2i:Cl-N-W,26.0,A6B5C2_aP26_2_6i_5i_2i:Cl-N-W +mp-570568,W2NCl8,-5.7639248255,-1.3056476741,0.0,-0.01780058,GGA,P-1,A8BC2_aP11_2_4i_a_i:Cl-N-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_7i_a_i:Cl-N-W, expected W2NCl14 to be W2NCl8" +mp-989616,CaWN3,-8.850397692,-0.855754715,0.0,-0.1370810668,GGA,C2/m,AB3C_mC20_12_i_3i_i:Ca-N-W,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_5i_i:Ca-N-W, expected CaWN5 to be CaWN3" +mp-1029782,Ca3W3N5,-8.641332035,-0.7709988573000001,0.0026669482,0.0026669482,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-W,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-W +mp-583581,W2NCl9,-5.5549229748,-1.3141241977,0.0,-0.0141459138,GGA,P2_1/c,A9BC2_mP48_14_9e_e_2e:Cl-N-W,48.0,"Invalid WP multiplicities - A9BC2_mP48_14_31e_e_4e:Cl-N-W, expected W4NCl31 to be W2NCl9" +mp-1247562,Ca3(WN2)2,-7.9052997689,-0.6520731244,0.173351836,0.173351836,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-W,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-W +mp-1246855,Ca3(WN2)2,-8.0168242139,-0.7635975694,0.061827391,0.061827391,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-W,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-W +mp-1205769,W(NCl3)2,-4.4466656244,0.0780388244,1.1510024222,1.1510024222,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-W,9.0,A6B2C_cF36_225_e_c_a:Cl-N-W +mp-1207722,WNCl6,-4.6079190019,-0.5596883625,0.647395685,0.647395685,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-N-W,16.0,A6BC_mC32_15_3f_e_a:Cl-N-W +mp-1188654,WNCl3,-6.5566267145,-1.1885796875,0.0,-0.0294271713,GGA,P-1,A3BC_aP20_2_6i_2i_2i:Cl-N-W,20.0,A3BC_aP20_2_6i_2i_2i:Cl-N-W +mp-1446433,Ca2WN2,-7.574774025,-0.8463100570000001,0.0,-0.0545352941,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ca-N-W,10.0,A2B2C_mC20_12_2i_2i_i:Ca-N-W +mp-1213997,CaW6NCl18,-6.0595323692,-1.3916655975,0.0077659492,0.0077659492,GGA,P6_3/m,AB18CD6_hP52_176_b_2h2i_c_i:Ca-Cl-N-W,52.0,AB18CD6_hP52_176_b_2h2i_c_i:Ca-Cl-N-W +mp-1196816,K5In3F14,-4.8315947339,-2.9876060307000003,0.0,-0.029226958,GGA,P4/mnc,A14B3C5_tP44_128_ehi_ac_bg:F-In-K,44.0,A14B3C5_tP44_128_ehi_ac_bg:F-In-K +mp-1112296,KInF3,-4.625288278,-2.7059843621,0.0742879767,0.0742879767,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:F-In-K,10.0,A3BC_cF40_225_e_ab_c:F-In-K +mp-27526,K3InF6,-4.7531616225,-2.9979861849,0.0,-0.0241629563,GGA,Pn-3,A6BC3_cP40_201_h_b_acd:F-In-K,40.0,A6BC3_cP40_201_h_b_acd:F-In-K +mp-1197644,K3InF6,-4.7491591321,-2.9939836945,0.0040024904,-0.020160466,GGA,Fd-3,A6BC3_cF320_203_2g_cd_abef:F-In-K,80.0,A6BC3_cF320_203_2g_cd_abef:F-In-K +mp-1111489,K3InF6,-4.715969244,-2.9607938064,0.0371923785,0.0130294222,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-In-K,10.0,A6BC3_cF40_225_e_a_bc:F-In-K +mp-1112283,K2InAgF6,-4.530094927,-2.6027037838,0.0367843513,0.0367843513,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-In-K +mp-23626,RbLi2(IO3)3,-4.9894083405,-1.4068298567,0.0,-0.0144861335,GGA,P2_1/c,A3B2C9D_mP60_14_3e_2e_9e_e:I-Li-O-Rb,60.0,"Invalid WP multiplicities - A3B2C9D_mP60_14_3e_2e_12e_e:I-Li-O-Rb, expected RbLi2(IO4)3 to be RbLi2(IO3)3" +mp-582421,KUCuSe3,-5.799331225,-1.301206215,0.0,-0.1465923368,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-K-Se-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_2cf_a:Cu-K-Se-U, expected KUCuSe4 to be KUCuSe3" +mp-12414,K(USe3)2,-6.3669164211,-1.4037288841,0.0,-0.0862592774,GGA,Immm,AB6C2_oI18_71_a_em_f:K-Se-U,9.0,"Invalid WP multiplicities - AB6C2_oI18_71_a_2e2m_f:K-Se-U, expected K(USe6)2 to be K(USe3)2" +mp-1185213,K3U,-2.5009436025,1.1547081103,1.1547081103,1.1547081103,GGA,Pm-3m,A3B_cP4_221_c_a:K-U,4.0,A3B_cP4_221_c_a:K-U +mp-1224693,KU3,-7.8681876581,0.8779695861,0.8779695861,0.8779695861,GGA,P2_1/c,AB3_mP16_14_e_3e:K-U,16.0,"Invalid WP multiplicities - AB3_mP16_14_e_6e:K-U, expected KU6 to be KU3" +mp-973536,LuUO3,-9.180594136,-3.0501088033,0.7046519253,0.7046519253,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Lu-O-U,5.0,AB3C_cP5_221_b_c_a:Lu-O-U +mp-1206047,Ba2LuUO6,-8.633166069,-3.7001218013,0.0,-0.0737834292,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-U +mp-20402,Lu6UO12,-9.2131716858,-4.0669939139,0.0,-0.0498802327,GGA,R-3,A6B12C_hR57_148_f_2f_a:Lu-O-U,19.0,A6B12C_hR57_148_f_2f_a:Lu-O-U +mp-1204480,Tl2Ag3(PO4)3,-6.235052157,-1.7938958391000002,0.0084065755,0.0084065755,GGA,C2/c,A3B12C3D2_mC80_15_a2e_6f_ef_f:Ag-O-P-Tl,40.0,A3B12C3D2_mC80_15_a2e_6f_ef_f:Ag-O-P-Tl +mp-1208132,TlAg(PO3)2,-6.6947818792,-2.1245882362,0.0,-0.0135811598,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Ag-O-P-Tl,40.0,AB6C2D_mP40_14_e_6e_2e_e:Ag-O-P-Tl +mp-865937,KNpAgS3,-6.2144684808,-1.3311211088,0.0,-0.1041549233,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ag-K-Np-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_2c3f:Ag-K-Np-S, expected KNpAgS8 to be KNpAgS3" +mp-6114,La3Ni2B2N3,-7.6174478,-1.1437915008,0.0047359103,0.0047359103,GGA,I4/mmm,A2B3C3D2_tI20_139_e_ae_be_d:B-La-N-Ni,10.0,"Invalid WP multiplicities - A2B3C3D2_tI20_139_e_ae_b2e_d:B-La-N-Ni, expected La3Ni2B2N5 to be La3Ni2B2N3" +mp-569935,La3(BN2)2,-8.3309081489,-1.4961543093,0.0,-0.0167056786,GGA,Immm,A2B3C4_oI18_71_e_cg_n:B-La-N,9.0,"Invalid WP multiplicities - A2B3C4_oI18_71_e_c2g_n:B-La-N, expected La5(BN2)2 to be La3(BN2)2" +mp-14325,La(Ni2B)6,-6.4216063624,-0.4019222629,0.0,-0.0635470246,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-La-Ni,38.0,"Invalid WP multiplicities - A6BC12_oC76_36_2a3b_a_2a8b:B-La-Ni, expected La(Ni9B4)2 to be La(Ni2B)6" +mp-570499,La5(BN3)2,-8.28682366,-1.5131476126,0.0,-0.0072755912,GGA,C2/m,A2B5C6_mC26_12_i_a2i_3i:B-La-N,13.0,"Invalid WP multiplicities - A2B5C6_mC26_12_i_a4i_6i:B-La-N, expected La9(BN6)2 to be La5(BN3)2" +mp-29594,La5B4N9,-8.5834888644,-1.5598190348,0.0113855761,0.0113855761,GGA,Pbcm,A4B5C9_oP72_57_2de_c2de_5d2e:B-La-N,72.0,"Invalid WP multiplicities - A4B5C9_oP72_57_3de_c2de_7d5e:B-La-N, expected La5B5N17 to be La5B4N9" +mp-29597,LaBN2,-8.6302380983,-1.5581409169,0.0020812359,0.0020812359,GGA,P-1,ABC2_aP24_2_3i_3i_6i:B-La-N,24.0,"Invalid WP multiplicities - ABC2_aP24_2_4i_3i_7i:B-La-N, expected La3B4N7 to be LaBN2" +mp-29990,La3B2N5,-8.5649185256,-1.5799905775,0.0,-0.0260264509,GGA,P2_1/c,A2B3C5_mP80_14_4e_6e_10e:B-La-N,80.0,A2B3C5_mP80_14_4e_6e_10e:B-La-N +mp-3471,La2Ni5B4,-6.4299793209,-0.4763188942,0.0,-0.0063897398,GGA,C2/m,A4B2C5_mC22_12_2i_i_aj:B-La-Ni,11.0,"Invalid WP multiplicities - A4B2C5_mC22_12_2i_i_a2j:B-La-Ni, expected La2Ni9B4 to be La2Ni5B4" +mp-4634,LaNi4B,-6.2058060717,-0.4164818057,0.0,-0.0162788401,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-La-Ni,12.0,ABC4_hP12_191_c_ab_di:B-La-Ni +mp-1223681,La2(Ni2B)3,-6.1972291873,-0.3253192234,0.1269206795,0.1269206795,GGA,Imm2,A3B2C6_oI22_44_2ab_ab_ce:B-La-Ni,11.0,A3B2C6_oI22_44_2ab_ab_ce:B-La-Ni +mp-1223643,La4Ni12B7,-6.2357029217,-0.3286850532,0.128153191,0.128153191,GGA,Cm,A7B4C12_mC46_8_7a_4a_4a4b:B-La-Ni,,"Invalid WP multiplicities - A7B4C12_mC46_8_7a_4a_4a8b:B-La-Ni, expected La4Ni20B7 to be La4Ni12B7" +mp-20881,LaNiBN,-7.4770502575,-1.0440426373,0.0,-0.0112400139,GGA,P4/nmm,ABCD_tP8_129_c_c_c_a:B-La-N-Ni,8.0,ABCD_tP8_129_c_c_c_a:B-La-N-Ni +mp-1190121,La3Ni13B2,-6.1092617761,-0.3698961263,0.0016617067,0.0016617067,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-La-Ni,18.0,A2B3C13_hP18_191_c_ae_ghi:B-La-Ni +mp-1205775,La4B2N5,-8.3053711782,-1.5067087612,0.0,-0.0005129545,GGA,C2/m,A2B4C5_mC22_12_i_2i_a2i:B-La-N,11.0,A2B4C5_mC22_12_i_2i_a2i:B-La-N +mp-1201689,LaNi3B,-6.2297340795,-0.4385722963,0.0030914215,-0.0153518619,GGA,Cmcm,ABC3_oC80_63_2cg_2cg_ef2h:B-La-Ni,40.0,ABC3_oC80_63_2cg_2cg_ef2h:B-La-Ni +mp-1203921,LaNi3B,-6.2325492047,-0.4413874216,0.0002762963,-0.0181669872,GGA,Cmcm,ABC3_oC80_63_2cg_2cg_ef2h:B-La-Ni,40.0,ABC3_oC80_63_2cg_2cg_ef2h:B-La-Ni +mp-1205795,LaNi3B,-6.232825501,-0.4416637178,0.0,-0.0184432834,GGA,Imma,ABC3_oI20_74_e_e_ag:B-La-Ni,10.0,ABC3_oI20_74_e_e_ag:B-La-Ni +mp-1191916,Ag5PSeO4,-5.0377925959,-1.1415427008,0.0,-0.0518346559,GGA,P4/nmm,A5B4CD_tP22_129_cj_i_a_c:Ag-O-P-Se,22.0,A5B4CD_tP22_129_cj_i_a_c:Ag-O-P-Se +mp-1040383,Mg30TiCO32,-6.3602506039,-2.8692100138,0.1620896707,0.1620896707,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Ti, expected Mg110TiCO72 to be Mg30TiCO32" +mp-1040333,Mg30TiCO32,-6.3716507564,-2.8806101663,0.1506895182,0.1506895182,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Ti, expected Mg90TiCO80 to be Mg30TiCO32" +mp-1031311,Mg6TiCO8,-6.5099064525,-2.3661972338,0.5968806059,0.5968806059,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Ti, expected Mg6TiCO12 to be Mg6TiCO8" +mp-1031354,Mg6TiCO8,-6.5403915775,-2.3966823588,0.5663954809,0.5663954809,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Ti, expected Mg6TiCO12 to be Mg6TiCO8" +mp-1021374,Mg6TiC,-3.1627886025,0.1779411236,0.3874484158,0.3874484158,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Ti,8.0,AB6C_oC16_38_a_abde_b:C-Mg-Ti +mp-1021487,Mg6TiC,-2.7770731531,0.563656573,0.7731638651,0.7731638651,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Ti, expected Mg12TiC to be Mg6TiC" +mp-1026445,Mg14TiC,-2.1815267631,0.2889781249,0.3985596948,0.3985596948,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Ti, expected Mg18TiC to be Mg14TiC" +mp-1026391,Mg14TiC,-2.1593602187,0.3111446693,0.4207262392,0.4207262392,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Ti, expected Mg26TiC to be Mg14TiC" +mp-1198230,Ti2C2O9,-7.9503798306,-1.8912634137,0.5423505164,0.5423505164,GGA,Cmce,A2B9C2_oC104_64_2f_cde3g_g:C-O-Ti,52.0,A2B9C2_oC104_64_2f_cde3g_g:C-O-Ti +mp-1034112,Mg14TiCO16,-6.4256881709,-2.7170913713,0.2914676983,0.2914676983,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Ti, expected Mg18TiCO20 to be Mg14TiCO16" +mp-1034033,Mg14TiCO16,-6.4009338144,-2.6923370147,0.3162220548,0.3162220548,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Ti, expected Mg30TiCO32 to be Mg14TiCO16" +mp-24123,Rb(BH)6,-5.186247555,-0.462152096,0.0,-0.1222921599,GGA,Fm-3,A6B6C_cF104_202_h_h_c:B-H-Rb,26.0,A6B6C_cF104_202_h_h_c:B-H-Rb +mp-780534,Rb(BH)5,-5.0377868168,-0.3704119848,0.0847378066,0.0847378066,GGA,P2_1/c,A5B5C_mP88_14_10e_10e_2e:B-H-Rb,88.0,"Invalid WP multiplicities - A5B5C_mP88_14_37e_39e_5e:B-H-Rb, expected Rb5B37H39 to be Rb(BH)5" +mp-1219553,RbBH4,-4.046085465,-0.5076137944,0.0,-0.2749783275,GGA,F-43m,AB4C_cF24_216_a_e_b:B-H-Rb,6.0,AB4C_cF24_216_a_e_b:B-H-Rb +mp-1195877,B10H13Cl,-4.9536476582,-0.2558187852,0.0011473295,0.0011473295,GGA,P2_1/c,A10BC13_mP96_14_10e_e_13e:B-Cl-H,96.0,A10BC13_mP96_14_10e_e_13e:B-Cl-H +mp-24798,Rb3B12H12Cl,-4.9947848111,-0.5070865015,0.0824027671,0.0824027671,GGA,R-3m,A12BC12D3_hR84_166_2h_a_2h_d:B-Cl-H-Rb,28.0,"Invalid WP multiplicities - A12BC12D3_hR84_166_3h_a_3h_d:B-Cl-H-Rb, expected Rb3B18H18Cl to be Rb3B12H12Cl" +mp-27650,RbB10H9,-5.1874858116,-0.2720365023,0.0799094603,0.0799094603,GGA,Pna2_1,A10B9C_oP160_33_20a_18a_2a:B-H-Rb,160.0,A10B9C_oP160_33_20a_18a_2a:B-H-Rb +mp-755810,EuZr4O9,-10.0173049464,-3.6624476092,0.0922720327,0.0922720327,GGA,Imm2,AB9C4_oI28_44_a_b4c_2c:Eu-O-Zr,14.0,"Invalid WP multiplicities - AB9C4_oI28_44_a_b7c_4c:Eu-O-Zr, expected EuZr8O15 to be EuZr4O9" +mp-1106293,EuZrO3,-10.3761299985,-3.6471762857,0.0,-0.1026817076,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-Zr,20.0,AB3C_oP20_62_c_cd_a:Eu-O-Zr +mp-1178354,EuZrO3,-10.2917370492,-3.5627833365,0.0843929493,-0.0182887584,GGA,P2_13,AB3C_cP40_198_2a_2b_2a:Eu-O-Zr,40.0,"Invalid WP multiplicities - AB3C_cP40_198_6a_15b_5a:Eu-O-Zr, expected Eu6Zr5O45 to be EuZrO3" +mp-771055,EuZrO3,-10.282810812,-3.5538570992,0.0933191865,-0.0093625211,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Zr,5.0,AB3C_cP5_221_a_c_b:Eu-O-Zr +mp-1206153,Eu2ZrO4,-10.40709245,-3.4287411536,0.0734172646,0.0734172646,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Eu-O-Zr,7.0,A2B4C_tI14_139_e_ce_a:Eu-O-Zr +mp-582856,EuZr6(PO4)9,-8.7559376558,-3.2108660838,0.0,-0.0067509473,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Eu-O-P-Zr,104.0,"Invalid WP multiplicities - AB36C9D6_hP104_165_b_63g_5f4g_3c7d:Eu-O-P-Zr, expected EuZr20(P13O126)3 to be EuZr6(PO4)9" +mp-675041,Eu2Zr2O7,-9.94407241,-3.3771427883,0.1591573373,0.1512797635,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Eu-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Eu-O-Zr, expected Eu2ZrO7 to be Eu2Zr2O7" +mp-685944,Eu2Zr2O7,-10.1032297473,-3.5363001256,0.0,-0.0078775738,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a2f_d:Eu-O-Zr, expected EuZrO7 to be Eu2Zr2O7" +mp-1193313,V3Fe3C,-9.0710876636,-0.2295951875,0.0455368696,0.0455368696,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Fe-V,28.0,AB3C3_cF112_227_c_de_f:C-Fe-V +mp-1218173,Ta6V3Fe3C2,-10.488579825,-0.3267384961,0.0325847184,0.0325847184,GGA,Imm2,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Fe-Ta-V,28.0,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Fe-Ta-V +mp-995285,VFe11C4,-8.4460339512,0.2520161331,0.3142389364,0.3142389364,GGA,Pm,A4B11C_mP16_6_2c_5a6b_a:C-Fe-V,16.0,"Invalid WP multiplicities - A4B11C_mP16_6_3c_5a6b_a:C-Fe-V, expected VFe11C6 to be VFe11C4" +mp-1096743,Ta2VFe,-5.9967797925,4.3205908425,4.4586412925,4.4586412925,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Ta-V,4.0,AB2C_oI8_71_a_e_b:Fe-Ta-V +mp-17747,Y3CuSnS7,-6.4104458442,-1.7051674331000002,0.0132320119,0.0132320119,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Sn-Y,24.0,AB7CD3_hP24_173_a_b2c_b_c:Cu-S-Sn-Y +mp-1335238,Y8Cu3(SnS7)3,-6.1844003814,-1.5294417618,0.087214138,0.087214138,GGA,P2_1,A3B21C3D8_mP70_4_3a_21a_3a_8a:Cu-S-Sn-Y,70.0,"Invalid WP multiplicities - A3B21C3D8_mP70_4_6a_40a_5a_14a:Cu-S-Sn-Y, expected Y14Cu6(SnS8)5 to be Y8Cu3(SnS7)3" +mp-1111670,K2LiMnF6,-5.453832936,-2.9777719502,0.0183712516,0.0183712516,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Mn,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Mn +mp-1237167,K3AsF6,-4.674584235,-2.7286653299,0.0548098821,0.0548098821,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:As-F-K,10.0,AB6C3_aP10_2_a_3i_bcd:As-F-K +mp-1211917,K3AsF6,-4.676382842,-2.7304639369,0.0530112751,0.0530112751,GGA,R-3m,AB6C3_hR30_166_a_h_d:As-F-K,10.0,AB6C3_hR30_166_a_h_d:As-F-K +mp-1111501,K3AsF6,-4.705481615,-2.7595627099,0.0239125021,0.0239125021,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-F-K,10.0,AB6C3_cF40_225_a_e_bc:As-F-K +mp-28085,KAs2F7,-5.0119287543,-2.6310299013,0.0,-0.0598247522,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:As-F-K,40.0,A2B7C_mP40_14_2e_7e_e:As-F-K +mp-4266,KAsF6,-4.900256045,-2.7454571504,0.0001353088,-0.2182069806,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-K,8.0,AB6C_hR24_148_a_f_b:As-F-K +mp-7569,KAsF6,-4.9003913537,-2.7455924591,0.0,-0.2183422894,GGA,R-3m,AB6C_hR24_166_a_h_b:As-F-K,8.0,AB6C_hR24_166_a_h_b:As-F-K +mp-1212135,K3AsF12,-3.9131642331,-1.9801603046,0.1898985697,0.1898985697,GGA,C2/m,AB12C3_mC32_12_a_3j_de:As-F-K,16.0,"Invalid WP multiplicities - AB12C3_mC32_12_c_10j_ae:As-F-K, expected K3AsF40 to be K3AsF12" +mp-1111928,K2LiAsF6,-4.852358607,-2.8265873099,0.0028927171,0.0028927171,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-K-Li +mp-1102941,PN2,-7.3901913142,-0.0280938619,0.4371303047,0.4371303047,GGA,P2_12_12_1,A2B_oP12_19_2a_a:N-P,12.0,A2B_oP12_19_2a_a:N-P +mp-1200550,P4N7,-7.658571508,-0.3850556442,0.1224616286,0.1224616286,GGA,P2_1/c,A7B4_mP44_14_7e_4e:N-P,44.0,A7B4_mP44_14_7e_4e:N-P +mp-1190322,P4N7,-7.57725851,-0.3037426462,0.2037746265,0.2037746265,GGA,C2/c,A7B4_mC44_15_e3f_2f:N-P,22.0,A7B4_mC44_15_e3f_2f:N-P +mp-726226,P3N4Cl5,-5.4762131079,-0.5738322313,0.2918114088,0.2918114088,GGA,P-1,A5B4C3_aP24_2_5i_4i_3i:Cl-N-P,24.0,A5B4C3_aP24_2_5i_4i_3i:Cl-N-P +mp-570966,ZrP2NCl11,-4.7074514585,-1.5044712033,0.0,-0.0455155514,GGA,Cmce,A11BC2D_oC120_64_3f4g_e_g_f:Cl-N-P-Zr,60.0,"Invalid WP multiplicities - A11BC2D_oC120_64_11f25g_e_g_f:Cl-N-P-Zr, expected ZrP2NCl61 to be ZrP2NCl11" +mp-570583,P4N3Cl11,-4.7461789586,-1.024145733,0.0,-0.009510432,GGA,P2/c,A11B3C4_mP72_13_11g_3g_4g:Cl-N-P,72.0,"Invalid WP multiplicities - A11B3C4_mP72_13_40g_9g_15g:Cl-N-P, expected P15N9Cl40 to be P4N3Cl11" +mp-28792,P4N3Cl11,-4.7417167761,-1.0196835505,0.0044621825,-0.0050482495,GGA,R3,A11B3C4_hR54_146_2a3b_b_ab:Cl-N-P,18.0,A11B3C4_hR54_146_2a3b_b_ab:Cl-N-P +mp-569386,P3NCl12,-3.9941211461,-1.0716934983,0.0,-0.0090803921,GGA,P2_1/c,A12BC3_mP128_14_24e_2e_6e:Cl-N-P,128.0,"Invalid WP multiplicities - A12BC3_mP128_14_91e_6e_23e:Cl-N-P, expected P23N6Cl91 to be P3NCl12" +mp-650015,P6N7Cl9,-5.7713937805,-0.8862978961,0.0016705641,0.0016705641,GGA,C2/c,A9B7C6_mC176_15_9f_7f_6f:Cl-N-P,88.0,"Invalid WP multiplicities - A9B7C6_mC176_15_35f_24f_20f:Cl-N-P, expected P20N24Cl35 to be P6N7Cl9" +mp-567907,P3N5,-7.7636749556,-0.5233771875000001,0.0,-0.145197537,GGA,C2/c,A5B3_mC32_15_a2f_ef:N-P,16.0,"Invalid WP multiplicities - A5B3_mC32_15_2a6f_2ef:N-P, expected P2N7 to be P3N5" +mp-1954,P3N5,-7.6651682325,-0.4248704644,0.0985067231,-0.0466908139,GGA,Imm2,A5B3_oI16_44_a2c_bc:N-P,8.0,"Invalid WP multiplicities - A5B3_oI16_44_a3c_bc:N-P, expected P3N7 to be P3N5" +mp-652364,PNCl2,-5.330706431,-0.9689887431,0.0,-0.0206593204,GGA,P2_12_12_1,A2BC_oP80_19_10a_5a_5a:Cl-N-P,80.0,"Invalid WP multiplicities - A2BC_oP80_19_36a_15a_17a:Cl-N-P, expected P17(N5Cl12)3 to be PNCl2" +mp-23375,PNCl2,-5.3268891927,-0.9651715048,0.0038172383,-0.0168420821,GGA,Pnma,A2BC_oP48_62_2c2d_cd_cd:Cl-N-P,48.0,A2BC_oP48_62_2c2d_cd_cd:Cl-N-P +mp-672260,PNCl2,-4.6066835081,-0.2449658202,0.7240229229,0.7033636025000001,GGA,P4_2/n,A2BC_tP32_86_2g_g_g:Cl-N-P,32.0,"Invalid WP multiplicities - A2BC_tP32_86_10g_g_g:Cl-N-P, expected PNCl10 to be PNCl2" +mp-648211,PNCl2,-5.3203348217,-0.9586171338,0.0103716093,-0.0102877111,GGA,P4_2/n,A2BC_tP64_86_4g_2g_2g:Cl-N-P,64.0,"Invalid WP multiplicities - A2BC_tP64_86_27g_6g_9g:Cl-N-P, expected P3N2Cl9 to be PNCl2" +mp-571213,PNCl2,-5.3302721281,-0.9685544402,0.0004343029,-0.0202250175,GGA,P4_2/n,A2BC_tP32_86_2g_g_g:Cl-N-P,32.0,"Invalid WP multiplicities - A2BC_tP32_86_11g_g_g:Cl-N-P, expected PNCl11 to be PNCl2" +mp-13350,RbUAgS3,-5.9568113558,-1.3711697414,0.0,-0.131837555,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Rb-S-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Ag-Rb-S-U, expected RbUAgS5 to be RbUAgS3" +mp-1212174,HoFe3(BO3)4,-8.3828571637,-2.5793419578,0.0153655985,0.0153655985,GGA+U,P3_121,A4B3CD12_hP60_152_2ac_bc_b_2a5c:B-Fe-Ho-O,60.0,A4B3CD12_hP60_152_2ac_bc_b_2a5c:B-Fe-Ho-O +mp-1212083,HoFe3(BO3)4,-8.381828577,-2.5783133711,0.0163941852,0.0163941852,GGA+U,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Fe-Ho-O,20.0,A4B3CD12_hR60_155_ad_e_b_2df:B-Fe-Ho-O +mp-1207513,YbTl(WO4)2,-8.0469922317,-2.2643237669,0.0,-0.0167413326,GGA+U,C2/c,A8BC2D_mC48_15_4f_e_f_e:O-Tl-W-Yb,,A8BC2D_mC48_15_4f_e_f_e:O-Tl-W-Yb +mp-676437,CoPS3,-5.513311689,-0.5271177085000001,0.1031777524,0.1031777524,GGA,C2/m,ABC3_mC20_12_g_i_ij:Co-P-S,10.0,"Invalid WP multiplicities - ABC3_mC20_12_g_i_i2j:Co-P-S, expected CoPS5 to be CoPS3" +mp-1226652,Co3Ni9P4,-6.3307520344,-0.3932899386,0.0450510993,0.0450510993,GGA,P1,A3B9C4_aP16_1_3a_9a_4a:Co-Ni-P,16.0,A3B9C4_aP16_1_3a_9a_4a:Co-Ni-P +mp-1226453,Co2PS3,-6.0294891,-0.6896078171000001,0.0166342013,0.0166342013,GGA,P2_1,A2BC3_mP12_4_2a_a_3a:Co-P-S,12.0,A2BC3_mP12_4_2a_a_3a:Co-P-S +mp-769218,Ni(PS3)2,-5.0640965333,-0.4612697673,0.0933073895,0.0933073895,GGA,C2,AB2C6_mC18_5_a_c_3c:Ni-P-S,9.0,"Invalid WP multiplicities - AB2C6_mC18_5_a_c_5c:Ni-P-S, expected Ni(PS5)2 to be Ni(PS3)2" +mp-1226098,CoNi(PS3)2,-5.382646949,-0.52927108,0.0879212013,0.0879212013,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Co-Ni-P-S,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Co-Ni-P-S, expected CoNi(PS4)2 to be CoNi(PS3)2" +mp-1206541,CoNiP,-6.5898143978,-0.4892287372,0.0825180378,0.0265023888,GGA,P-62m,ABC_hP9_189_f_g_ad:Co-Ni-P,9.0,ABC_hP9_189_f_g_ad:Co-Ni-P +mp-1226037,CoNiP,-6.6723324356,-0.571746775,0.0,-0.056015649,GGA,P-62m,ABC_hP9_189_f_g_bc:Co-Ni-P,9.0,ABC_hP9_189_f_g_bc:Co-Ni-P +mp-1226003,CoPS,-6.2725742475,-0.7198841913,0.0,-0.0824926708,GGA,P2_13,ABC_cP12_198_a_a_a:Co-P-S,12.0,ABC_cP12_198_a_a_a:Co-P-S +mp-676040,NiPS3,-5.24026928,-0.5197115225,0.0513324998,0.0513324998,GGA,C2/m,ABC3_mC20_12_g_i_ij:Ni-P-S,10.0,"Invalid WP multiplicities - ABC3_mC20_12_g_i_i2j:Ni-P-S, expected NiPS5 to be NiPS3" +mp-505820,NiPS,-5.6308978575,-0.5209348397,0.0,-0.0024011247,GGA,P2_13,ABC_cP12_198_a_a_a:Ni-P-S,12.0,ABC_cP12_198_a_a_a:Ni-P-S +mp-1226111,Co7NiP4,-6.9683688142,-0.5357378749,0.0,-0.0003002984,GGA,Pm,A7BC4_mP12_6_3a4b_a_2a2b:Co-Ni-P,12.0,A7BC4_mP12_6_3a4b_a_2a2b:Co-Ni-P +mp-18040,KPrF4,-6.2318670475,-3.9756636188,0.0,-0.0557345,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-K-Pr,24.0,A4BC_oP24_62_4c_c_c:F-K-Pr +mp-1110852,K3PrF6,-5.399336872,-3.4412392319,0.1185271485,0.1185271485,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Pr,10.0,A6B3C_cF40_225_e_ac_b:F-K-Pr +mp-1110830,K2NaPrF6,-5.453373556,-3.4740632813,0.0862217055,0.0862217055,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Pr +mp-628908,KICl2,-2.9660611447000003,-1.3958514904,0.0,-0.0218023259,GGA,P2_1/c,A2BC_mP32_14_4e_2e_2e:Cl-I-K,32.0,"Invalid WP multiplicities - A2BC_mP32_14_12e_6e_8e:Cl-I-K, expected K4(ICl2)3 to be KICl2" +mp-1002081,KNaICl,-3.2718323775,-1.8331255649,0.07458163,0.07458163,GGA,P4/mmm,ABCD_tP4_123_a_d_c_b:Cl-I-K-Na,4.0,ABCD_tP4_123_a_d_c_b:Cl-I-K-Na +mp-647366,KICl4,-2.8917323633,-1.2287470405,0.0,-0.2682510267,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Cl-I-K,24.0,A4BC_mP24_14_4e_e_e:Cl-I-K +mp-1236924,K3RhF6,-4.797474355,-2.5810365034,0.023955265,-0.0191267965,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-K-Rh,10.0,A6B3C_aP10_2_3i_bcd_a:F-K-Rh +mp-1211838,K3RhF6,-4.798214919,-2.5817770674,0.023214701,-0.0198673605,GGA,C2/m,A6B3C_mC20_12_ij_ce_a:F-K-Rh,10.0,A6B3C_mC20_12_ij_ae_c:F-K-Rh +mp-1111856,K3RhF6,-4.82142962,-2.6049917684,0.0,-0.0430820615,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Rh,10.0,A6B3C_cF40_225_e_ac_b:F-K-Rh +mp-1112258,K2RhAuF6,-4.502750893,-2.0699647361,0.171546664,0.171546664,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Rh +mp-8018,K2RhF6,-4.8298992856,-2.4905682223,0.0,-0.0816087706,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Rh,9.0,A6B2C_hP9_164_i_d_a:F-K-Rh +mp-1080622,KRhF6,-4.6568666338,-2.163919056,0.0,-0.0591670638,GGA,R-3,A6BC_hR24_148_f_a_b:F-K-Rh,8.0,A6BC_hR24_148_f_a_b:F-K-Rh +mp-19956,Ba2InO3F,-6.20251072,-2.8680566184,0.0,-0.0083825129,GGA,P4/nmm,A2BCD3_tP14_129_2c_c_c_cf:Ba-F-In-O,14.0,"Invalid WP multiplicities - A2BCD3_tP14_129_2c_c_c_c2f:Ba-F-In-O, expected Ba2InO5F to be Ba2InO3F" +mp-695736,InOF2,-4.8435174825,-1.9631848884,0.3464026089,0.3464026089,GGA,C2,A2BC_mC8_5_c_a_b:F-In-O,4.0,A2BC_mC8_5_c_a_b:F-In-O +mp-21445,Ba3In2O5F2,-6.1575068242,-2.8394490099,0.0201193988,0.0201193988,GGA,I4/mmm,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-F-In-O,12.0,"Invalid WP multiplicities - A3B2C2D5_tI24_139_ae_e_e_b2g:Ba-F-In-O, expected Ba3In2O9F2 to be Ba3In2O5F2" +mp-662619,InOF,-5.5678681492,-2.3645843462,0.0148398508,0.0051446797,GGA,P1,ABC_aP12_1_4a_4a_4a:F-In-O,12.0,ABC_oF48_43_b_b_2a:F-In-O +mp-27175,InOF,-5.582708,-2.3794241971,0.0,-0.0096951711,GGA,Fddd,ABC_oF48_70_c_e_f:F-In-O,12.0,ABC_oF48_70_c_e_f:F-In-O +mp-754354,Ba4OF6,-6.0967764341,-3.9066434999,0.0137578405,0.0137578405,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:Ba-F-O,22.0,"Invalid WP multiplicities - A4B6C_tP22_137_g_2d3f_a:Ba-F-O, expected Ba4OF16 to be Ba4OF6" +mp-755009,Ba4OF6,-6.0517679041,-3.8616349699,0.0587663705,0.0587663705,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ba-F-O,22.0,"Invalid WP multiplicities - A4B6C_hP22_186_2b3c_9c_b:Ba-F-O, expected Ba11OF27 to be Ba4OF6" +mp-568803,Mg(B6C)2,-6.848313568,-0.1676260823,0.0,-0.0440192667,GGA,Imma,A12B2C_oI60_74_2h2j_h_e:B-C-Mg,30.0,"Invalid WP multiplicities - A12B2C_oI60_74_8h12j_h_e:B-C-Mg, expected Mg(B32C)2 to be Mg(B6C)2" +mp-568556,Mg2B24C,-6.5290430865,-0.1314642682,0.0,-0.0268701194,GGA,P-4n2,A24BC2_tP54_118_6i_a_bc:B-C-Mg,54.0,"Invalid WP multiplicities - A24BC2_tP54_118_43i_a_bc:B-C-Mg, expected Mg2B172C to be Mg2B24C" +mp-1222229,Mg3Si9B36C,-6.3073571078,-0.1172454412,0.0,-0.0116021596,GGA,R3m,A36BC3D9_hR147_160_4b4c_a_b_3a2b:B-C-Mg-Si,49.0,A36BC3D9_hR147_160_4b4c_a_b_3a2b:B-C-Mg-Si +mp-1026547,Mg14BC,-2.1138626669,0.2806359558,0.3035114393,0.3035114393,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-C-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-C-Mg, expected Mg18BC to be Mg14BC" +mp-1026426,Mg14BC,-1.9534441644,0.4410544583,0.4639299418,0.4639299418,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-C-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-C-Mg, expected Mg26BC to be Mg14BC" +mp-1079629,Mg(BC)2,-6.819658916,-0.1363800007,0.0100230935,-0.0525669595,GGA,Pnnm,A2B2C_oP10_58_g_g_a:B-C-Mg,10.0,A2B2C_oP10_58_g_g_a:B-C-Mg +mp-3582,Mg(BC)2,-6.8296820095,-0.1464030942,0.0,-0.062590053,GGA,Cmce,A2B2C_oC80_64_efg_efg_df:B-C-Mg,40.0,A2B2C_oC80_64_efg_efg_df:B-C-Mg +mp-1017356,Mg6SiC,-2.7056447169,0.3263132609,0.3934225322,0.3934225322,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Si, expected Mg12SiC to be Mg6SiC" +mp-1017366,Mg6SiC,-2.5826242781,0.4493336997,0.5164429709,0.5164429709,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Si, expected Mg12SiC to be Mg6SiC" +mp-1026800,Mg14SiC,-2.157433725,0.1586852889,0.2030167388,0.2030167388,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Si, expected Mg18SiC to be Mg14SiC" +mp-1026678,Mg14SiC,-2.0225743494,0.2935446645,0.3378761144,0.3378761144,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Si, expected Mg26SiC to be Mg14SiC" +mp-1017229,Mg6BC,-2.8162594431,0.3724577523,0.4182087192,0.4182087192,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-C-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-C-Mg, expected Mg12BC to be Mg6BC" +mp-1100157,Mg6BC,-2.55279274,0.6359244554,0.6816754223,0.6816754223,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-C-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-C-Mg +mp-1086652,BaAgSF,-4.9533515875,-2.2534866431,0.0,-0.0241582631,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-S,8.0,ABCD_tP8_129_a_c_b_c:Ag-Ba-F-S +mp-866169,KTl2Bi,-2.6288640725,-0.2098204799,0.0,-0.0224969395,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-K-Tl,4.0,ABC2_cF16_225_a_b_c:Bi-K-Tl +mp-1111569,K2TlBiF6,-4.63348802,-2.6442076224,0.106416174,0.106416174,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Tl +mp-13992,Cs2Pt3S4,-5.02389188,-0.9627803054,0.0,-0.1435555867,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Pt-S,9.0,"Invalid WP multiplicities - A2B3C4_oF36_69_g_a2c_n:Cs-Pt-S, expected Cs2Pt5S4 to be Cs2Pt3S4" +mp-1191335,Cs2U(PtS2)3,-5.8922066788,-1.2160138525,0.0,-0.0675856846,GGA,Fmmm,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pt-S-U,24.0,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pt-S-U +mp-551101,HoBi2IO4,-6.5393593512,-2.3489208106,0.0,-0.0412477846,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Ho-I-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Ho-I-O +mp-753173,HoIO,-6.782382745,-3.1148947679,0.0,-0.1254956696,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ho-I-O,6.0,ABC_tP6_129_c_c_a:Ho-I-O +mp-753163,HoIO,-6.7123874833,-3.0448995062,0.0699952617,-0.0555004079,GGA,R-3m,ABC_hR18_166_c_c_c:Ho-I-O,6.0,ABC_hR18_166_c_c_c:Ho-I-O +mp-683980,Ho(IO3)3,-5.6162237094,-1.4990924539,0.0,-0.0998301207,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Ho-I-O,52.0,"Invalid WP multiplicities - AB3C9_mP52_14_e_8e_35e:Ho-I-O, expected HoI8O35 to be Ho(IO3)3" +mp-1181021,Ho(IO3)3,-5.1026484885,-0.985517233,0.5135752210000001,0.4137451002,GGA,Pmmn,AB3C9_oP26_59_a_be_aefg:Ho-I-O,26.0,AB3C9_oP26_59_a_be_aefg:Ho-I-O +mp-1198708,HoIO9,-5.2675345927,-0.669718809,0.5321101970000001,0.5321101970000001,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Ho-I-O,44.0,ABC9_mP44_14_e_e_9e:Ho-I-O +mp-1204365,HoIO9,-5.3759659091,-0.7781501253,0.4236788806,0.4236788806,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Ho-I-O,44.0,ABC9_mP44_14_e_e_9e:Ho-I-O +mp-1208087,UGeO2,-8.506407645,-2.0544538231,0.7590155037,0.7590155037,GGA,I4_1/a,AB2C_tI32_88_c_f_d:Ge-O-U,16.0,AB2C_tI32_88_c_f_d:Ge-O-U +mp-7567,UGeO4,-8.8237810425,-2.8735822575,0.0848874174,0.0848874174,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ge-O-U,12.0,AB4C_tI24_88_a_f_b:Ge-O-U +mp-558697,Rb3U2Ge2O11,-7.8062784904,-2.8516088365,0.0,-0.0191579559,GGA,P2_1/c,A2B11C3D2_mP72_14_2e_11e_3e_ade:Ge-O-Rb-U,72.0,"Invalid WP multiplicities - A2B11C3D2_mP72_14_5e_42e_11e_2a2b2e:Ge-O-Rb-U, expected Rb11U4Ge5O42 to be Rb3U2Ge2O11" +mp-557381,Rb3U3Ge2O13,-8.2550705214,-2.9994114165,0.0,-0.0119849356,GGA,P-62c,A2B13C3D3_hP42_190_f_cghi_h_g:Ge-O-Rb-U,42.0,"Invalid WP multiplicities - A2B13C3D3_hP42_190_f_2c3g5h7i_h_g:Ge-O-Rb-U, expected Rb3U3(GeO34)2 to be Rb3U3Ge2O13" +mp-1193054,U2GeO10,-8.2083431938,-2.3104405025,0.392546533,0.392546533,GGA,Fddd,AB10C2_oF104_70_a_e2h_e:Ge-O-U,26.0,AB10C2_oF104_70_a_e2h_e:Ge-O-U +mp-541240,Sb3O2F5,-5.5884332925,-2.4046556945,0.0,-0.0085823078,GGA,P2/c,A5B2C3_mP40_13_5g_2g_ef2g:F-O-Sb,40.0,A5B2C3_mP40_13_5g_2g_ef2g:F-O-Sb +mp-759821,Sb3O2F5,-5.5311635568,-2.3473859588,0.0572697357,0.048687428,GGA,Pnma,A5B2C3_oP40_62_c2d_d_cd:F-O-Sb,40.0,"Invalid WP multiplicities - A5B2C3_oP40_62_3c6d_d_2c3d:F-O-Sb, expected Sb8O2F15 to be Sb3O2F5" +mp-554432,ReSbOF10,-5.6639721673,-2.5382024126,0.0,-0.0478228058,GGA,P2,A10BCD_mP26_3_ad9e_e_e_e:F-O-Re-Sb,26.0,"Invalid WP multiplicities - A10BCD_mP26_3_ac18e_e_e_e:F-O-Re-Sb, expected ReSbOF19 to be ReSbOF10" +mp-622116,ReOF4,-6.6089119881,-2.4360566937,0.0,-0.0308868402,GGA,C2/c,A4BC_mC96_15_8f_2f_2f:F-O-Re,48.0,"Invalid WP multiplicities - A4BC_mC96_15_29f_7f_4f:F-O-Re, expected Re4O7F29 to be ReOF4" +mp-759728,Sb7(O2F3)3,-5.6802791825,-2.2354404709,0.058521653,0.058521653,GGA,Aem2,A9B6C7_oC88_39_c4d_ab2d_c3d:F-O-Sb,44.0,"Invalid WP multiplicities - A9B6C7_oC88_39_2c7d_ab4d_2c5d:F-O-Sb, expected Sb6O5F8 to be Sb7(O2F3)3" +mp-759873,Sb8O11F2,-6.1507570305,-1.8046359029,0.0762125763,0.0762125763,GGA,P2_1/c,A2B11C8_mP42_14_e_a5e_4e:F-O-Sb,42.0,"Invalid WP multiplicities - A2B11C8_mP42_14_e_2a20e_11e:F-O-Sb, expected Sb11O21F to be Sb8O11F2" +mp-753515,Sb3O4F,-6.11968418,-1.8590294884,0.0619276161,0.0619276161,GGA,Cc,AB4C3_mC32_9_a_4a_3a:F-O-Sb,16.0,"Invalid WP multiplicities - AB4C3_mC32_15_a_5f_2e3f:F-O-Sb, expected Sb8O10F to be Sb3O4F" +mp-753510,Sb3O4F,-6.159613815,-1.8989591234,0.0219979811,0.0219979811,GGA,P2/c,AB4C3_mP16_13_e_2g_fg:F-O-Sb,16.0,"Invalid WP multiplicities - AB4C3_mP16_13_e_3g_f2g:F-O-Sb, expected Sb5O6F to be Sb3O4F" +mp-1101419,Sb3O4F,-6.1231841481,-1.8625294566,0.058427648,0.058427648,GGA,C2/c,AB4C3_mC32_15_c_2f_ef:F-O-Sb,16.0,"Invalid WP multiplicities - AB4C3_mC32_15_a_5f_2e3f:F-O-Sb, expected Sb8O10F to be Sb3O4F" +mp-759602,Sb4O5F2,-6.051943418,-1.9544519224,0.0430761941,0.0430761941,GGA,P2_1,A2B5C4_mP44_4_4a_10a_8a:F-O-Sb,44.0,"Invalid WP multiplicities - A2B5C4_mP44_4_7a_19a_15a:F-O-Sb, expected Sb15O19F7 to be Sb4O5F2" +mp-753445,Sb4O5F2,-6.0703601259,-1.9728686303,0.0246594861,0.0246594861,GGA,P2_1/c,A2B5C4_mP22_14_e_a2e_2e:F-O-Sb,22.0,"Invalid WP multiplicities - A2B5C4_mP22_14_e_2a7e_7e:F-O-Sb, expected Sb7O8F to be Sb4O5F2" +mp-759707,Sb4O5F2,-6.0521123786,-1.9546208831,0.0429072334,0.0429072334,GGA,Pnma,A2B5C4_oP44_62_2c_c2d_2cd:F-O-Sb,44.0,"Invalid WP multiplicities - A2B5C4_oP44_62_5c_2c7d_7c2d:F-O-Sb, expected Sb11O16F5 to be Sb4O5F2" +mp-541473,Sb(OF3)2,-4.2961567139,-1.4637953286,0.3360885901,0.3360885901,GGA,Ia-3,A6B2C_cI72_206_e_c_a:F-O-Sb,36.0,A6B2C_cI72_206_e_c_a:F-O-Sb +mp-757173,Sb5O7F,-6.1749353054,-1.776219448,0.0799468003,0.0799468003,GGA,P-1,AB7C5_aP26_2_i_7i_5i:F-O-Sb,26.0,"Invalid WP multiplicities - AB7C5_mC52_12_i_13i_9i:F-O-Sb, expected Sb9O13F to be Sb5O7F" +mp-1101384,Sb5O7F,-6.1752887742,-1.7765729168000002,0.0795933314,0.0795933314,GGA,C2/m,AB7C5_mC52_12_i_7i_5i:F-O-Sb,26.0,"Invalid WP multiplicities - AB7C5_mC52_12_i_13i_9i:F-O-Sb, expected Sb9O13F to be Sb5O7F" +mp-759743,Sb5O7F,-6.2022715027,-1.8035556453,0.052610603,0.052610603,GGA,P2_1/c,AB7C5_mP52_14_e_7e_5e:F-O-Sb,52.0,"Invalid WP multiplicities - AB7C5_mP52_14_e_25e_17e:F-O-Sb, expected Sb17O25F to be Sb5O7F" +mp-759450,Sb5O7F,-6.1711734837,-1.7724576262,0.083708622,0.083708622,GGA,Ibca,AB7C5_oI104_73_c_d3f_c2f:F-O-Sb,52.0,"Invalid WP multiplicities - AB7C5_oI104_73_c_2d11f_c4f:F-O-Sb, expected Sb9O24F to be Sb5O7F" +mp-753233,Sb6O5F8,-5.6500443542,-2.2395557891,0.0689712782,0.0689712782,GGA,P1,A8B5C6_aP19_1_8a_5a_6a:F-O-Sb,19.0,A8B5C6_aP19_1_8a_5a_6a:F-O-Sb +mp-760332,Sb6O5F8,-5.6249210021,-2.214432437,0.0940946303,0.0940946303,GGA,P2_1/c,A8B5C6_mP76_14_8e_5e_6e:F-O-Sb,76.0,"Invalid WP multiplicities - A8B5C6_mP76_14_25e_17e_17e:F-O-Sb, expected Sb17O17F25 to be Sb6O5F8" +mp-757111,SbOF3,-5.296920475,-2.3348951043,0.0055624457,0.0055624457,GGA,P-1,A3BC_aP20_2_6i_2i_2i:F-O-Sb,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_3i_3i:F-O-Sb, expected Sb3O3F11 to be SbOF3" +mp-761759,SbOF3,-5.2224063925,-2.2603810218,0.0800765283,0.0800765283,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:F-O-Sb,20.0,"Invalid WP multiplicities - A3BC_mP20_14_9e_e_e:F-O-Sb, expected SbOF9 to be SbOF3" +mp-1101381,SbOF3,-5.259147146,-2.2971217753,0.0433357748,0.0433357748,GGA,Immm,A3BC_oI10_71_af_b_c:F-O-Sb,5.0,"Invalid WP multiplicities - A3BC_oI10_71_a2f_b_c:F-O-Sb, expected SbOF5 to be SbOF3" +mp-758096,SbOF3,-5.266244918,-2.3042195473,0.0362380028,0.0362380028,GGA,P-42_1m,A3BC_tP20_113_ef_e_e:F-O-Sb,20.0,"Invalid WP multiplicities - A3BC_tP20_136_3f2i_f_g:F-O-Sb, expected SbOF7 to be SbOF3" +mp-541654,ReSbOF9,-5.7417577156,-2.514797062,0.024428147,0.024428147,GGA,P2_1/c,A9BCD_mP48_14_9e_e_e_e:F-O-Re-Sb,48.0,A9BCD_mP48_14_9e_e_e_e:F-O-Re-Sb +mp-641112,ReO2F3,-7.0747726224,-2.3960490374,0.0050483711,-0.1152975755,GGA,P2_1/c,A3B2C_mP96_14_12e_8e_4e:F-O-Re,96.0,"Invalid WP multiplicities - A3B2C_mP96_14_44e_31e_14e:F-O-Re, expected Re14O31F44 to be ReO2F3" +mp-556419,ReO2F3,-7.0759180679,-2.3971944829,0.0039029256,-0.116443021,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:F-O-Re,24.0,"Invalid WP multiplicities - A3B2C_mP24_14_11e_6e_e:F-O-Re, expected ReO6F11 to be ReO2F3" +mp-555704,ReO2F3,-7.0798209935,-2.4010974085,0.0,-0.1203459466,GGA,Cmce,A3B2C_oC96_64_2f2g_2g_df:F-O-Re,48.0,"Invalid WP multiplicities - A3B2C_oC96_64_7f10g_10g_3d3f:F-O-Re, expected Re6O20F27 to be ReO2F3" +mp-573051,ReO3F,-8.027162764,-2.1879483068,0.0,-0.0109163178,GGA,P2/c,AB3C_mP30_13_eg_e4g_fg:F-O-Re,30.0,"Invalid WP multiplicities - AB3C_mP30_13_eg_2e16g_2f2g:F-O-Re, expected Re6O34F3 to be ReO3F" +mp-758899,Sb2OF8,-5.0165090075,-2.4259160138,0.0426430667,0.0426430667,GGA,P2/c,A8BC2_mP44_13_ef7g_g_2g:F-O-Sb,44.0,"Invalid WP multiplicities - A8BC2_mP44_13_2e2f27g_g_3g:F-O-Sb, expected Sb3OF29 to be Sb2OF8" +mp-753495,Sb3O7F,-6.2468651118,-1.7991102331,0.012964495,0.012964495,GGA,Cmmm,AB7C3_oC22_65_a_chp_bg:F-O-Sb,11.0,"Invalid WP multiplicities - AB7C3_oC22_65_a_ch2p_bg:F-O-Sb, expected Sb3O11F to be Sb3O7F" +mp-766015,SbOF,-5.8420359611,-2.1796463215,0.0220711601,0.0076244342,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:F-O-Sb,36.0,ABC_mP36_14_9e_9e_9e:F-O-Sb +mp-753661,SbOF,-5.807013025,-2.1446233854,0.0570940963,0.0426473703,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Sb,12.0,ABC_mP12_14_e_e_e:F-O-Sb +mp-753539,SbOF,-5.7927510008,-2.1303613612,0.0713561204,0.0569093945,GGA,Pna2_1,ABC_oP12_33_a_a_a:F-O-Sb,12.0,ABC_oP12_33_a_a_a:F-O-Sb +mp-760092,SbOF,-5.7951782875,-2.1327886479,0.0689288338,0.0544821078,GGA,Pbca,ABC_oP48_61_2c_2c_2c:F-O-Sb,48.0,ABC_oP48_61_5c_5c_5c:F-O-Sb +mp-561533,SbOF,-5.8641071213,-2.2017174817,0.0,-0.0144467259,GGA,Pbca,ABC_oP48_61_2c_2c_2c:F-O-Sb,48.0,"Invalid WP multiplicities - ABC_oP48_61_8c_8c_13c:F-O-Sb, expected Sb13(OF)8 to be SbOF" +mp-753656,SbOF,-5.7660389242,-2.1036492846,0.0980681971,0.0836214712,GGA,Pnma,ABC_oP12_62_c_c_c:F-O-Sb,12.0,ABC_oP12_62_c_c_c:F-O-Sb +mp-756654,SbOF,-5.780720985,-2.1183313454,0.0833861363,0.0689394103,GGA,Pnma,ABC_oP12_62_c_c_c:F-O-Sb,12.0,ABC_oP12_62_c_c_c:F-O-Sb +mp-7609,SbOF,-5.8631957883,-2.2008061487,0.0009113329,-0.013535393,GGA,Pnma,ABC_oP12_62_c_c_c:F-O-Sb,12.0,ABC_oP12_62_c_c_c:F-O-Sb +mp-753868,SbOF,-5.79826833,-2.1358786904,0.0658387913,0.0513920653,GGA,P-42_1c,ABC_tP24_114_e_e_e:F-O-Sb,24.0,ABC_tP24_114_e_e_e:F-O-Sb +mp-989191,SbOF,-5.6724039483,-2.0100143087,0.1917031729,0.177256447,GGA,P4/nmm,ABC_tP6_129_a_b_c:F-O-Sb,6.0,ABC_tP6_129_a_b_c:F-O-Sb +mp-752561,SbO2F,-5.9716427487,-1.9881783413,0.0,-0.0169629942,GGA,Cc,AB2C_mC16_9_a_2a_a:F-O-Sb,8.0,"Invalid WP multiplicities - AB2C_mC16_9_a_4a_a:F-O-Sb, expected SbO4F to be SbO2F" +mp-752753,SbO2F,-5.9619261575,-1.97846175,0.0097165913,-0.0072464029,GGA,C2/c,AB2C_mC16_15_e_f_c:F-O-Sb,8.0,AB2C_mC16_15_e_f_a:F-O-Sb +mp-558576,ReSb(OF4)2,-5.9902251652,-2.5103303663,0.0,-0.0221264841,GGA,P2_1/c,A8B2CD_mP48_14_8e_2e_e_ac:F-O-Re-Sb,48.0,"Invalid WP multiplicities - A8B2CD_mP48_14_29e_5e_e_2a2c:F-O-Re-Sb, expected ReSb2O5F29 to be ReSb(OF4)2" +mp-1200706,SbOF6,-4.3616463566,-1.793575887,0.2312935215,0.2312935215,GGA,Ia-3,A6BC_cI64_206_e_a_b:F-O-Sb,32.0,A6BC_cI64_206_e_a_b:F-O-Sb +mp-1196252,CdP14Pb,-4.9849022709,0.0414584743,0.0856615911,0.066200048,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb,64.0,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb +mp-1201248,CdP14Pb,-4.8372855609,0.1890751843,0.2332783011,0.213816758,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb,64.0,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb +mp-1214259,CdP14Pb,-5.070563862,-0.0442031168,0.0,-0.0194615431,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb,64.0,AB14C_oP64_62_c_4c5d_c:Cd-P-Pb +mp-1227639,CdP6Pb9O26,-6.865917656,-2.2128120626,0.040742024,0.040742024,GGA,P1,AB26C6D9_aP42_1_a_26a_6a_9a:Cd-O-P-Pb,42.0,AB26C6D9_aP42_1_a_26a_6a_9a:Cd-O-P-Pb +mp-16393,Y4Mo4O11,-9.1799403375,-2.6714108261,0.2447856726,0.2447856726,GGA+U,Pbam,A4B11C4_oP76_55_ghi_e2g2h3i_2g2h:Mo-O-Y,76.0,"Invalid WP multiplicities - A4B11C4_oP76_55_ghi_e2g4h5i_2g2h:Mo-O-Y, expected Y4Mo4O17 to be Y4Mo4O11" +mp-1208998,Y6MoO12,-9.1094005495,-3.3723089008,0.2168389646,0.2168389646,GGA+U,P-1,AB12C6_aP19_2_a_6i_3i:Mo-O-Y,19.0,AB12C6_aP19_2_a_6i_3i:Mo-O-Y +mp-1237135,Y6MoO12,-9.1120701774,-3.3749785287,0.2141693367,0.2141693367,GGA+U,P-1,AB12C6_aP19_2_a_6i_3i:Mo-O-Y,19.0,AB12C6_aP19_2_a_6i_3i:Mo-O-Y +mp-1233138,CaY5(MoO6)2,-8.987147442,-3.2176714319,0.1550294889,0.1550294889,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y +mp-1233995,CaY5(MoO6)2,-8.95892596,-3.1894499499,0.1832509709,0.1832509709,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y +mp-1234100,CaY5(MoO6)2,-8.943665083500001,-3.1741890734,0.1985118474,0.1985118474,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Ca-Mo-O-Y +mp-1233162,CaY5(MoO6)2,-8.9976386705,-3.2281626604,0.1445382604,0.1445382604,GGA+U,C2/m,AB2C12D5_mC40_12_a_h_2i2j_b2i:Ca-Mo-O-Y,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_12_a_h_2i3j_b2i:Ca-Mo-O-Y, expected CaY5(MoO8)2 to be CaY5(MoO6)2" +mp-1328802,Y4(Mo2O7)3,-8.8580342105,-2.5735100799,0.1338517044,0.1338517044,GGA+U,C2/m,A6B21C4_mC124_12_ade2ij_9i6j_bcfj:Mo-O-Y,62.0,"Invalid WP multiplicities - A6B21C4_mC124_12_ac2e2i2j_18i24j_bd2f2j:Mo-O-Y, expected Y7(Mo3O22)3 to be Y4(Mo2O7)3" +mp-556455,Y2(MoO4)3,-8.8127833234,-2.6463034945,0.0272181962,-0.0186885814,GGA+U,Pba2,A3B12C2_oP68_32_3c_12c_2c:Mo-O-Y,68.0,"Invalid WP multiplicities - A3B12C2_oP68_32_10c_44c_4c:Mo-O-Y, expected Y2Mo5O22 to be Y2(MoO4)3" +mp-556937,Y2(MoO4)3,-8.8400015196,-2.6735216906,0.0,-0.0459067776,GGA+U,Pbcn,A3B12C2_oP68_60_cd_6d_d:Mo-O-Y,68.0,"Invalid WP multiplicities - A3B12C2_oP68_60_2c3d_42d_d:Mo-O-Y, expected Y(Mo2O21)2 to be Y2(MoO4)3" +mp-1198660,Y2(MoO4)3,-8.8126336512,-2.6461538223,0.0273678684,-0.0185389092,GGA+U,P-42_1m,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Y,34.0,A3B12C2_tP34_113_ae_2e2f_e:Mo-O-Y +mp-2674749,Y2Mo2O7,-9.2420181677,-2.9464669472,0.0,-0.0380271678,GGA+U,I4_1/a,A2B7C2_tI44_88_d_aef_c:Mo-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_tI44_88_d_a3e4f_c:Mo-O-Y, expected Y2Mo2O23 to be Y2Mo2O7" +mp-18265,Y2Mo2O7,-9.2290134359,-2.9334622154,0.0130047318,-0.025022436,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mo-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Mo-O-Y +mp-1368579,Ca2YMoO5,-7.9133267556,-2.7959084734,0.3175778217,0.3175778217,GGA+U,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Mo-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Mo-O-Y +mp-18821,Y5(MoO6)2,-9.2864384484,-3.3188636946,0.016392166,0.016392166,GGA+U,C2/m,A2B12C5_mC38_12_h_2i2j_a2i:Mo-O-Y,19.0,"Invalid WP multiplicities - A2B12C5_mC38_12_h_2i3j_a2i:Mo-O-Y, expected Y5(MoO8)2 to be Y5(MoO6)2" +mp-1379411,YMoO3,-9.328163984,-2.8977265126,0.0295691506,0.0295691506,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mo-O-Y,20.0,AB3C_oP20_62_a_cd_c:Mo-O-Y +mp-1371109,YMoO3,-9.178302571,-2.7478650996,0.1794305636,0.1794305636,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mo-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Mo-O-Y +mp-1445377,YMoO3,-9.12989572,-2.6994582486,0.2278374146,0.2278374146,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Mo-O-Y,10.0,AB3C_hP10_194_c_bf_a:Mo-O-Y +mp-1503976,YMoO3,-8.753013688,-2.3225762166,0.6047194466,0.6047194466,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mo-O-Y,5.0,AB3C_cP5_221_b_c_a:Mo-O-Y +mp-1364503,Y2(Mo2O7)3,-8.2746456057,-2.0026695428,0.3613367607,0.3613367607,GGA+U,C2/m,A6B21C2_mC116_12_ade2ij_9i6j_2i:Mo-O-Y,58.0,"Invalid WP multiplicities - A6B21C2_mC116_12_ac2e3i4j_18i24j_2i:Mo-O-Y, expected YMo7O33 to be Y2(Mo2O7)3" +mp-1203448,Y2Mo4O15,-8.7276936269,-2.5126520395,0.0183943142,0.0183943142,GGA+U,P2_1/c,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Y,42.0,A4B15C2_mP42_14_2e_a7e_e:Mo-O-Y +mp-25213,YMo3O8,-8.8167680675,-2.2686904731,0.1898019333,0.1898019333,GGA+U,Cm,A3B8C_mC24_8_ab_4a2b_a:Mo-O-Y,12.0,"Invalid WP multiplicities - A3B8C_mC24_8_ab_4a4b_a:Mo-O-Y, expected Y(MoO4)3 to be YMo3O8" +mp-25579,YMo3O8,-8.8923602917,-2.3442826972,0.1142097091,0.1142097091,GGA+U,C2/m,A3B8C_mC24_12_ae_2ij_d:Mo-O-Y,12.0,"Invalid WP multiplicities - A3B8C_mC24_12_ce_4i4j_b:Mo-O-Y, expected Y(MoO8)3 to be YMo3O8" +mp-31124,Y2MoO6,-9.1039666122,-3.1641083229,0.0,-0.0097859793,GGA+U,C2/c,AB6C2_mC72_15_f_6f_2ef:Mo-O-Y,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_f_9f_2ef:Mo-O-Y, expected Y2MoO9 to be Y2MoO6" +mp-554735,HgAs4(S2I)2,-3.93342251,-0.4395419507,0.004343553,0.004343553,GGA,P2_1/c,A4BC2D4_mP44_14_4e_e_2e_4e:As-Hg-I-S,44.0,"Invalid WP multiplicities - A4BC2D4_mP44_14_13e_e_2e_12e:As-Hg-I-S, expected HgAs13(S6I)2 to be HgAs4(S2I)2" +mp-29956,Hg3(SI)2,-2.2174765471,-0.4845231859,0.0,-0.0106527442,GGA,Imma,A3B2C2_oI56_74_fhi_2ei_j:Hg-I-S,28.0,A3B2C2_oI56_74_fhi_2ei_j:Hg-I-S +mp-30934,As(S8I)3,-4.371489545,-0.5017033214000001,0.0,-0.42750634,GGA,R3m,AB3C24_hR84_160_a_b_2b3c:As-I-S,28.0,"Invalid WP multiplicities - AB3C24_hR84_160_a_b_2b4c:As-I-S, expected As(S10I)3 to be As(S8I)3" +mp-1211791,Lu2S3O20,-5.9687665146,-1.15336552,0.6712596982,0.6712596982,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Lu-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Lu-O-S +mp-1204198,Lu2(SO5)3,-6.4928316522,-1.7102525868,0.5705289359,0.5705289359,GGA,Cmc2_1,A2B15C3_oC160_36_2ab_8a11b_4ab:Lu-O-S,80.0,A2B15C3_oC160_36_2ab_8a11b_4ab:Lu-O-S +mp-1215567,YbLuSO2,-7.093478608,-3.0754013901,0.2512804092,0.2512804092,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Lu-O-S-Yb,,AB2CD_hP5_156_a_ab_c_b:Lu-O-S-Yb +mp-768453,Lu2(SO4)3,-7.4368909194,-2.6832723797,0.0,-0.3559130426,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Lu-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_9f_e:Lu-O-S, expected Lu2(SO18)3 to be Lu2(SO4)3" +mp-12673,Lu2SO2,-8.244431224,-3.6300855581,0.0,-0.0971812058,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Lu-O-S,5.0,A2B2C_hP5_164_d_d_a:Lu-O-S +mp-1181805,CoGe(OF)6,-4.6171648536,-0.8399968734000001,0.6246203155,0.6246203155,GGA+U,P2_1/c,AB6CD6_mP28_14_a_3e_d_3e:Co-F-Ge-O,28.0,AB6CD6_mP28_14_a_3e_b_3e:Co-F-Ge-O +mp-10791,ErBO3,-8.7232521353,-3.5058167924,0.0621952067,-0.0015249077,GGA,P-1,ABC3_aP60_2_6i_6i_18i:B-Er-O,60.0,ABC3_aP60_2_6i_6i_18i:B-Er-O +mp-1194043,ErBO3,-8.785447342,-3.5680119991,0.0,-0.0637201144,GGA,C2/c,ABC3_mC60_15_ef_cf_e4f:B-Er-O,30.0,ABC3_mC60_15_ef_af_e4f:B-Er-O +mp-760405,ErBO3,-8.692274711,-3.4748393681,0.093172631,0.0294525166,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Er-O,10.0,"Invalid WP multiplicities - ABC3_oC20_40_b_a_2b2c:B-Er-O, expected ErBO6 to be ErBO3" +mp-756914,Er2B4O9,-8.6473551507,-3.2891416104,0.0340531262,0.0340531262,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-Er-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_7i_3i_17i:B-Er-O, expected Er3B7O17 to be Er2B4O9" +mp-1214718,Ba3Er(BO2)9,-8.2814556452,-3.1369535042,0.0078501141,0.0078501141,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Er-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Er-O +mp-560278,Er3B5O12,-8.6889194785,-3.3659004875000003,0.0184985646,0.0184985646,GGA,Pmna,A5B3C12_oP80_53_e2hi_fi_g3h4i:B-Er-O,80.0,"Invalid WP multiplicities - A5B3C12_oP80_53_3e7h7i_4f4i_3g12h28i:B-Er-O, expected Er12B24O71 to be Er3B5O12" +mp-680718,Er(BO2)3,-8.6293887442,-3.2007861052,0.0,-0.0173702626,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Er-O,160.0,"Invalid WP multiplicities - A3BC6_oP160_62_42d_13c_24c69d:B-Er-O, expected Er13(B14O27)6 to be Er(BO2)3" +mp-772497,Er4(B2O5)3,-8.6816146736,-3.3797124123,0.0414092293,0.0414092293,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-Er-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_5f_e25f:B-Er-O, expected Er10B22O51 to be Er4(B2O5)3" +mp-1214885,Ba3Er(BO3)3,-7.9899027539,-3.3097141699,0.0,-0.0234711544,GGA,P6_3cm,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Er-O,96.0,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Er-O +mp-1191505,UCu4(MoO8)2,-7.180812933,-1.59270179,0.0679793994,0.0679793994,GGA+U,C2/m,A4B2C16D_mC46_12_ei_i_4i2j_a:Cu-Mo-O-U,23.0,A4B2C16D_mC46_12_fi_i_4i2j_a:Cu-Mo-O-U +mp-1203172,UCu(Mo2O9)6,-7.1698744685,-1.1013508155,0.5010392043,0.5010392043,GGA+U,R-3,AB12C54D_hR204_148_a_2f_9f_b:Cu-Mo-O-U,68.0,AB12C54D_hR204_148_a_2f_9f_b:Cu-Mo-O-U +mp-28073,UCuO4,-8.5382686233,-2.6753733692,0.04785935,0.04785935,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Cu-O-U,12.0,AB4C_mP12_14_a_2e_b:Cu-O-U +mp-615420,U3CuO10,-9.4418813957,-3.1961439805,0.03560349,0.03560349,GGA,P-1,AB10C3_aP14_2_a_5i_bi:Cu-O-U,14.0,"Invalid WP multiplicities - AB10C3_aP14_2_a_9i_bi:Cu-O-U, expected U3CuO18 to be U3CuO10" +mp-1188600,UCuO6,-7.3439348619,-1.7100912434,0.3570668937,0.3570668937,GGA,P-1,AB6C_aP16_2_i_6i_i:Cu-O-U,16.0,AB6C_aP16_2_i_6i_i:Cu-O-U +mp-12669,Dy2SO2,-8.238378186,-3.5896979921,0.0,-0.0984423405,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Dy-O-S,5.0,A2B2C_hP5_164_d_d_a:Dy-O-S +mp-768175,Dy2SO2,-8.227936114,-3.5792559201,0.010442072,-0.0880002685,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_b:Dy-O-S,10.0,A2B2C_hP10_194_f_f_b:Dy-O-S +mp-8324,Dy2S2O,-7.458699097,-2.972066672,0.007844064,0.007844064,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Dy-O-S,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_2e_e_4e:Dy-O-S, expected Dy2S4O to be Dy2S2O" +mp-8323,Dy2S2O,-7.4538915175,-2.9672590925,0.0126516435,0.0126516435,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Dy-O-S,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_2c_c_4c:Dy-O-S, expected Dy2S4O to be Dy2S2O" +mp-1211153,LiDy(SO4)2,-6.9325429408,-2.4023663466,0.1586830609,0.1586830609,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Dy-Li-O-S,24.0,ABC8D2_tP24_118_c_d_2i_f:Dy-Li-O-S +mp-1213557,Dy2S3O20,-5.9732071656,-1.1509392654,0.6602713100000001,0.6602713100000001,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Dy-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Dy-O-S +mp-1222313,LiDyS2,-5.7186753125,-2.0215229524,0.0761951999999999,0.0237176862,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Dy-Li-S,4.0,ABC2_tP4_123_a_d_bc:Dy-Li-S +mp-33667,LiDyS2,-5.7879240325,-2.0907716724,0.00694648,-0.0455310338,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Dy-Li-S,8.0,ABC2_tI16_141_a_b_e:Dy-Li-S +mp-15789,LiDyS2,-5.7948705125,-2.0977181524,0.0,-0.0524775138,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Li-S,4.0,ABC2_hR12_166_a_b_c:Dy-Li-S +mp-1213482,Dy2(SO4)3,-7.4272618941,-2.6635449638,0.0,-0.3698318294,GGA,Pbcn,A2B12C3_oP68_60_d_6d_cd:Dy-O-S,68.0,A2B12C3_oP68_60_d_6d_cd:Dy-O-S +mp-16867,YbCu(WO4)2,-8.206443695,-2.2790616033,0.0,-0.0555550131,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Cu-O-W-Yb,,AB8C2D_mP24_13_e_4g_g_f:Cu-O-W-Yb +mp-1209236,RbYb(WO4)2,-8.0597290252,-2.3922363167,0.0138445954,0.0138445954,GGA+U,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-W-Yb,,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-W-Yb +mp-1209138,RbYb(WO4)2,-8.0689795946,-2.401486886,0.004594026,0.004594026,GGA+U,C2/c,A8BC2D_mC48_15_4f_e_f_e:O-Rb-W-Yb,,A8BC2D_mC48_15_4f_e_f_e:O-Rb-W-Yb +mp-1209118,RbYb(WO4)2,-7.9940692633,-2.3265765548,0.0795043572,0.0795043572,GGA+U,P-3m1,A8BC2D_hP12_164_di_a_d_b:O-Rb-W-Yb,,A8BC2D_hP12_164_di_a_d_b:O-Rb-W-Yb +mp-2997,ThB2C,-8.0237967258,-0.5234699048,0.0,-0.0286126425,GGA,R-3m,A2BC_hR36_166_g_d_ac:B-C-Th,12.0,A2BC_hR36_166_g_d_ac:B-C-Th +mp-3182,Th3B2C3,-8.33049818,-0.4197038339,0.0030123222,0.0030123222,GGA,P2/m,A2B3C3_mP8_10_m_bm_dn:B-C-Th,8.0,A2B3C3_mP8_10_m_bm_cn:B-C-Th +mp-570254,ThBC,-8.2457934579,-0.4718216201,0.0,-0.017529096,GGA,P4_122,ABC_tP24_91_d_d_d:B-C-Th,24.0,ABC_tP24_91_d_d_d:B-C-Th +mp-1072285,ThB2Pt2C,-7.661376465,-0.6374474776,0.0336366787,0.0336366787,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Pt-Th,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Pt-Th +mp-555425,K2Th(CuS2)2,-5.26565446,-1.4457801321,0.0126974314,0.0126974314,GGA,C2/m,A2B2C4D_mC18_12_i_i_2i_a:Cu-K-S-Th,9.0,A2B2C4D_mC18_12_i_i_2i_a:Cu-K-S-Th +mp-12365,KThCuS3,-5.8952062358,-1.7230706579,0.0,-0.0396884097,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-K-S-Th,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cu-K-S-Th, expected KThCuS5 to be KThCuS3" +mp-638086,K3Th2Cu3S7,-5.5168620717,-1.5560832437,0.0082315575,0.0082315575,GGA,Cmcm,A3B3C7D2_oC60_63_cf_cf_c3f_f:Cu-K-S-Th,30.0,"Invalid WP multiplicities - A3B3C7D2_oC60_63_2c3f_2c2f_2c8f_f:Cu-K-S-Th, expected K3ThCu4S9 to be K3Th2Cu3S7" +mp-1021330,Rb2Ge(S2O7)3,-6.3964195138,-1.8869775759,0.0,-0.0613157964,GGA,P-3,AB21C2D6_hP60_147_c_7g_2d_2g:Ge-O-Rb-S,60.0,AB21C2D6_hP60_147_c_7g_2d_2g:Ge-O-Rb-S +mp-1247136,DyMg2W3S8,-6.7395241379,-1.0414286689,0.4174872088,0.4174872088,GGA,C2/m,AB2C8D3_mC28_12_c_i_2ij_ae:Dy-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_mC28_12_a_i_4ij_de:Dy-Mg-S-W, expected DyMg2(WS4)3 to be DyMg2W3S8" +mp-1247060,Dy3Mg2WS8,-6.2763282664,-1.7712818532,0.1631876262,0.1631876262,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Dy-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Dy-Mg-S-W, expected Dy3Mg2WS22 to be Dy3Mg2WS8" +mp-1246291,DyMgWS4,-6.4857847007,-1.3842137596,0.3124789189,0.3124789189,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Dy-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Dy-Mg-S-W, expected DyMgWS12 to be DyMgWS4" +mp-680283,Ce9B3C6Br5,-6.9256671326,-0.9877057277,0.0,-0.0020662496,GGA,Pmmn,A3B5C6D9_oP46_59_ae_a2e_3e_b4e:B-Br-C-Ce,46.0,"Invalid WP multiplicities - A3B5C6D9_oP46_59_2ae_2a4e_11e_2b15e:B-Br-C-Ce, expected Ce16B2C11Br5 to be Ce9B3C6Br5" +mp-1193043,Ce5(C2Br)3,-7.32606266,-0.9191681086,0.0,-0.0015733496,GGA,C2/m,A3B6C5_mC56_12_3i_6i_5i:Br-C-Ce,28.0,A3B6C5_mC56_12_3i_6i_5i:Br-C-Ce +mp-623670,Ce5C2Br9,-5.7263038967,-1.8450519136,0.0245774002,0.0245774002,GGA,Pnma,A9B2C5_oP64_62_3c3d_2c_3cd:Br-C-Ce,64.0,"Invalid WP multiplicities - A9B2C5_oP64_62_12c21d_3c_10c5d:Br-C-Ce, expected Ce20(CBr18)3 to be Ce5C2Br9" +mp-570060,Ce6B2(CBr)3,-6.7757159964,-0.9684017151,0.0,-0.0079507547,GGA,P2/m,A2B3C3D6_mP14_10_m_bm_em_m2n:B-Br-C-Ce,14.0,"Invalid WP multiplicities - A2B3C3D6_mP14_10_m_b2m_hm_2m4n:B-Br-C-Ce, expected Ce12B2C3Br5 to be Ce6B2(CBr)3" +mp-569330,Ce4C4Br3,-7.0466658373,-1.10974733,0.0,-0.0107913845,GGA,P-1,A3B4C4_aP22_2_3i_4i_4i:Br-C-Ce,22.0,"Invalid WP multiplicities - A3B4C4_aP22_2_4i_7i_7i:Br-C-Ce, expected Ce7C7Br4 to be Ce4C4Br3" +mp-574262,Ce4C2Br5,-6.1220221945,-1.5806740805,0.0213046693,0.0213046693,GGA,Immm,A5B2C4_oI22_71_cn_e_eg:Br-C-Ce,11.0,"Invalid WP multiplicities - A5B2C4_oI22_71_c2n_e_eg:Br-C-Ce, expected Ce4C2Br9 to be Ce4C2Br5" +mp-1215059,Ce3C2Br3,-6.5280450902,-1.4135846602,0.0,-0.0461438402,GGA,C222_1,A3B2C3_oC128_20_6c_4c_2a5c:Br-C-Ce,64.0,A3B2C3_oC128_20_6c_4c_2a5c:Br-C-Ce +mp-1208466,Th(WO4)2,-9.3553739049,-2.7277713231,0.0577226517,0.0577226517,GGA+U,Pbca,A8BC2_oP88_61_8c_c_2c:O-Th-W,88.0,A8BC2_oP88_61_8c_c_2c:O-Th-W +mp-1187448,ThWO3,-9.136233774,-2.0938228513,1.1386145865,1.1386145865,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Th-W,5.0,A3BC_cP5_221_c_a_b:O-Th-W +mp-1200418,Na4Th(WO4)4,-8.2131563214,-2.4658163324,0.0218287286,0.0218287286,GGA+U,I4_1/a,A4B16CD4_tI100_88_f_4f_a_f:Na-O-Th-W,50.0,A4B16CD4_tI100_88_f_4f_a_f:Na-O-Th-W +mp-1189100,Zn5(CO6)2,-5.7072137068,-1.2800393084,0.2453094876,0.2453094876,GGA,C2/m,A2B12C5_mC38_12_i_4ij_ahi:C-O-Zn,19.0,A2B12C5_mC38_12_i_4ij_ahi:C-O-Zn +mp-559437,Zn(CO2)2,-7.2658815279,-1.6224773221,0.0591974895,0.0591974895,GGA,P2_1/c,A2B4C_mP14_14_e_2e_a:C-O-Zn,14.0,"Invalid WP multiplicities - A2B4C_mP14_14_e_6e_a:C-O-Zn, expected Zn(CO6)2 to be Zn(CO2)2" +mp-1188502,Zn(CO3)2,-6.3346221033,-0.8460435631000001,0.7569830568,0.7569830568,GGA,C2/c,A2B6C_mC36_15_f_3f_e:C-O-Zn,18.0,A2B6C_mC36_15_f_3f_e:C-O-Zn +mp-9812,ZnCO3,-6.888936604,-1.8232415567,0.0,-0.044421094,GGA,R-3c,AB3C_hR30_167_a_e_b:C-O-Zn,10.0,AB3C_hR30_167_a_e_b:C-O-Zn +mp-1209101,ZnC5O8,-6.6302417531,-0.4176288415,1.1819273921,1.1819273921,GGA,Pbca,A5B8C_oP112_61_5c_8c_c:C-O-Zn,112.0,A5B8C_oP112_61_5c_8c_c:C-O-Zn +mp-1078391,CaZn(CO3)2,-7.394953847,-2.2546731727,0.001333238,0.001333238,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:C-Ca-O-Zn,10.0,A2BC6D_hR30_148_c_a_f_b:C-Ca-O-Zn +mp-28025,Sn2SO5,-6.422706017,-1.8115763754,0.0742232317,0.0742232317,GGA,P-42_1c,A5BC2_tP64_114_5e_e_2e:O-S-Sn,64.0,"Invalid WP multiplicities - A5BC2_tP64_114_8e_e_2e:O-S-Sn, expected Sn2SO8 to be Sn2SO5" +mp-734280,Sn3SO7,-6.3372181623,-1.7197648522,0.2267249168,0.2267249168,GGA,Pca2_1,A7BC3_oP44_29_7a_a_3a:O-S-Sn,44.0,A7BC3_oP44_29_7a_a_3a:O-S-Sn +mp-728585,Sn7(SO10)2,-6.38667911,-1.7220695602,0.2751655973,0.2751655973,GGA,Pbca,A20B2C7_oP116_61_10c_c_a3c:O-S-Sn,116.0,A20B2C7_oP116_61_10c_c_a3c:O-S-Sn +mp-31004,Sn(SO2)2,-6.0575201414,-1.4762020795000002,0.11801016,0.11801016,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:O-S-Sn,28.0,A4B2C_mP28_14_4e_2e_e:O-S-Sn +mp-759223,Sn(SO4)2,-6.5296233847,-1.8154432684,0.0,-0.0925107816,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-Sn,88.0,"Invalid WP multiplicities - A8B2C_oP88_61_29c_2c_c:O-S-Sn, expected SnS2O29 to be Sn(SO4)2" +mp-645740,SnSO4,-6.4669018833,-1.8114391222,0.0266110567,0.0266110567,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-S-Sn,24.0,"Invalid WP multiplicities - A4BC_aP24_2_15i_3i_2i:O-S-Sn, expected Sn2(SO5)3 to be SnSO4" +mp-645774,SnSO4,-6.4887595833,-1.8332968222,0.0047533567,0.0047533567,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-S-Sn,24.0,"Invalid WP multiplicities - A4BC_aP24_2_14i_3i_2i:O-S-Sn, expected Sn2S3O14 to be SnSO4" +mp-645709,SnSO4,-6.4867386308,-1.8312758697,0.0067743092,0.0067743092,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-S-Sn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_12e_e_e:O-S-Sn, expected SnSO12 to be SnSO4" +mp-542967,SnSO4,-6.4910354008,-1.8355726397,0.0024775392,0.0024775392,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-S-Sn,24.0,A4BC_oP24_62_2cd_c_c:O-S-Sn +mp-1193618,Rb4Sn(SO)4,-4.6565008685,-1.2515576025,0.4987727481,0.4987727481,GGA,P-1,A4B4C4D_aP26_2_4i_4i_4i_i:O-Rb-S-Sn,26.0,A4B4C4D_aP26_2_4i_4i_4i_i:O-Rb-S-Sn +mp-768936,Sn2(SO4)3,-6.5268615106,-1.8334051667,0.0074008482,-0.0108574143,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-S-Sn,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_9e_7e:O-S-Sn, expected Sn7(SO5)9 to be Sn2(SO4)3" +mp-768939,Sn2(SO4)3,-6.5225065809,-1.829050237,0.0117557779,-0.0065024846,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-S-Sn,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_43e_11e_3e:O-S-Sn, expected Sn3S11O43 to be Sn2(SO4)3" +mp-768943,Sn2(SO4)3,-6.445953031,-1.7524966872,0.0883093278,0.0700510652,GGA,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-S-Sn,68.0,"Invalid WP multiplicities - A12B3C2_oP68_60_21d_2c2d_d:O-S-Sn, expected Sn(SO7)3 to be Sn2(SO4)3" +mp-1101728,Sn2(SO4)3,-6.4915234088,-1.7980670649,0.0427389501,0.0244806875,GGA,Pbca,A12B3C2_oP136_61_12c_3c_2c:O-S-Sn,136.0,"Invalid WP multiplicities - A12B3C2_oP136_61_45c_9c_5c:O-S-Sn, expected Sn5(SO5)9 to be Sn2(SO4)3" +mp-768950,Sn2(SO4)3,-6.5342623588,-1.840806015,0.0,-0.0182582626,GGA,R-3,A12B3C2_hR102_148_4f_f_2c:O-S-Sn,34.0,"Invalid WP multiplicities - A12B3C2_hR102_148_19f_f_3c:O-S-Sn, expected SnSO19 to be Sn2(SO4)3" +mp-768883,Sn2(SO4)3,-6.4513976321,-1.7579412882,0.0828647268,0.0646064642,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-S-Sn,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_9f_e_c:O-S-Sn, expected Sn2(SO18)3 to be Sn2(SO4)3" +mp-1924009,Y(FeS2)2,-6.769469805,-1.0619965192,0.2931476125,0.2931476125,GGA,Imma,A2B4C_oI28_74_ae_hi_c:Fe-S-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h3i_c:Fe-S-Y, expected Y(FeS6)2 to be Y(FeS2)2" +mp-1205522,Y2FeSi2,-7.133475951,-0.6827560517,0.0005322628,0.0005322628,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Si-Y,10.0,AB2C2_mC20_12_i_2i_2i:Fe-Si-Y +mp-1216145,Y2Fe4Si9,-6.672886872,-0.2968275829,0.231734345,0.231734345,GGA,P-3m1,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Y,15.0,A4B9C2_hP15_164_2d_a2c2d_d:Fe-Si-Y +mp-1216179,Y(Fe5Si)2,-8.0818880154,-0.2344019174,0.0150214169,0.0150214169,GGA,Immm,A10B2C_oI26_71_efgk_h_a:Fe-Si-Y,13.0,A10B2C_oI26_71_efgk_h_a:Fe-Si-Y +mp-1216484,Y4Fe29Si5,-7.9646807016,-0.1061783412,0.1172222033,0.1172222033,GGA,P-1,A29B5C4_aP38_2_abe13i_h2i_2i:Fe-Si-Y,38.0,"Invalid WP multiplicities - A29B5C4_aP38_2_abe25i_h3i_3i:Fe-Si-Y, expected Y6Fe53Si7 to be Y4Fe29Si5" +mp-1207786,Y3Fe2Si3,-7.2189265669,-0.6420003356,0.0030472086,0.0030472086,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Y,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Si-Y +mp-1216080,Y2FeSi4,-6.7342008471,-0.5764529105,0.0597515171,0.0597515171,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Y,,AB4C2_oC14_38_a_2a2b_ab:Fe-Si-Y +mp-1197725,Y2Fe3Si5,-7.2039683815,-0.6570087808,0.0,-0.0447685897,GGA,P4/mnc,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Y,40.0,A3B5C2_tP40_128_dh_egh_h:Fe-Si-Y +mp-1216175,Y4FeS7,-7.2745222817,-2.0002677207,0.1060850246,0.1060850246,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Fe-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Fe-S-Y +mp-1104575,Y(Fe2Si)2,-7.7479939057,-0.4341093324,0.0291054314,0.0291054314,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-Si-Y,14.0,A4B2C_tP14_136_i_f_a:Fe-Si-Y +mp-5288,Y(FeSi)2,-7.499930588,-0.6485006693,0.0,-0.0802449236,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Fe-Si-Y +mp-1216206,Y6Fe(SiS7)2,-6.8988886278,-1.8541154936,0.0252004735,0.0252004735,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Fe-S-Si-Y,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Fe-S-Si-Y +mp-1229247,Ba10Ge3C3O26,-6.8891799745,-2.3806386427,0.1627041978,0.1627041978,GGA,P3,A10B3C3D26_hP42_143_2a2b2d_d_d_2c8d:Ba-C-Ge-O,42.0,A10B3C3D26_aP42_1_10a_3a_3a_26a:Ba-C-Ge-O +mp-1214983,Ba(C2O5)2,-7.461039145,-1.5743375435,0.3825375048,0.3825375048,GGA,C2/c,AB4C10_mC60_15_e_2f_5f:Ba-C-O,30.0,AB4C10_mC60_15_e_2f_5f:Ba-C-O +mp-762225,BaCO3,-7.868310547,-2.6707692338,0.013236834,-0.4069630622,GGA,P2_1,ABC3_mP10_4_a_a_3a:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_mP10_4_a_a_5a:Ba-C-O, expected BaCO5 to be BaCO3" +mp-34195,BaCO3,-7.846187791,-2.6486464778,0.03535959,-0.3848403062,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_2ef:Ba-C-O, expected BaCO4 to be BaCO3" +mp-2506699,BaCO3,-7.877129994,-2.6795886808,0.004417387,-0.4157825092,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_e2f:Ba-C-O, expected BaCO5 to be BaCO3" +mp-676020,BaCO3,-7.847781473,-2.6502401598,0.033765908,-0.3864339882,GGA,C2/m,ABC3_mC20_12_ad_i_ij:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_mC20_12_ad_i_2i2j:Ba-C-O, expected BaCO6 to be BaCO3" +mp-675324,BaCO3,-7.805723579,-2.6081822658,0.075823802,-0.3443760942,GGA,Pnn2,ABC3_oP10_34_b_a_ac:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_oP10_34_b_a_2a2c:Ba-C-O, expected BaCO6 to be BaCO3" +mp-2626703,BaCO3,-7.837690545,-2.6401492318,0.043856836,-0.3763430602,GGA,Imm2,ABC3_oI10_44_b_a_ac:Ba-C-O,10.0,"Invalid WP multiplicities - ABC3_oI10_44_b_a_2a2c:Ba-C-O, expected BaCO6 to be BaCO3" +mp-5504,BaCO3,-7.881547381,-2.6840060678,0.0,-0.4201998962,GGA,Pnma,ABC3_oP20_62_c_c_cd:Ba-C-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_c2d:Ba-C-O, expected BaCO5 to be BaCO3" +mp-1227982,BaCO3,-7.83249692,-2.6349556068,0.049050461,-0.3711494353,GGA,R32,ABC3_hR15_155_b_a_d:Ba-C-O,5.0,ABC3_hR15_155_b_a_d:Ba-C-O +mp-4559,BaCO3,-7.859702646,-2.6621613328,0.021844735,-0.3983551613,GGA,R3m,ABC3_hR15_160_a_a_b:Ba-C-O,5.0,ABC3_hR15_160_a_a_b:Ba-C-O +mp-674478,BaCO3,-7.83164051,-2.6340991968000003,0.049906871,-0.3702930252,GGA,R-3c,ABC3_hR30_167_b_a_e:Ba-C-O,10.0,ABC3_hR30_167_b_a_e:Ba-C-O +mp-545643,BaCO3,-7.777050586,-2.5795092728,0.104496795,-0.3157031012,GGA,P6_3/mmc,ABC3_hP10_194_c_b_h:Ba-C-O,10.0,ABC3_hP10_194_c_b_h:Ba-C-O +mp-675489,Ba3(Ge2C)2,-4.86070047,-0.1155485561,0.3276769958,0.3276769958,GGA,Ibam,A3B2C4_oI36_72_aj_j_k:Ba-C-Ge,18.0,"Invalid WP multiplicities - A3B2C4_oI36_72_2a3j_j_k:Ba-C-Ge, expected Ba4Ge2C to be Ba3(Ge2C)2" +mp-1194021,Ba(CO2)2,-7.9544618039,-2.2168816939,0.0796249112,0.0796249112,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Ba-C-O,28.0,AB2C4_aP28_2_2i_4i_8i:Ba-C-O +mp-732336,Ba(CO2)2,-7.4725274439,-1.7349473339,0.5615592712,0.5615592712,GGA,P2_12_12_1,AB2C4_oP28_19_a_2a_4a:Ba-C-O,28.0,AB2C4_oP28_19_a_2a_4a:Ba-C-O +mp-1193053,Ba(CO2)2,-7.5092287768,-1.7716486668,0.5248579384000001,0.5248579384000001,GGA,P2_12_12_1,AB2C4_oP28_19_a_2a_4a:Ba-C-O,28.0,AB2C4_oP28_19_a_2a_4a:Ba-C-O +mp-1214990,Ba(CO3)2,-7.0037500756,-1.4419236097,0.6393055163,0.6393055163,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ba-C-O,36.0,AB2C6_mP36_14_e_2e_6e:Ba-C-O +mp-1214493,BaC2O5,-7.3668844781,-1.728165793,0.6132169737000001,0.6132169737000001,GGA,C2/m,AB2C5_mC32_12_i_j_i2j:Ba-C-O,16.0,AB2C5_mC32_12_i_j_i2j:Ba-C-O +mp-1215050,Ba2C4O9,-7.4905714647,-1.8057174479,0.5147231101,0.5147231101,GGA,P-1,A2B4C9_aP30_2_2i_4i_9i:Ba-C-O,30.0,A2B4C9_aP30_2_2i_4i_9i:Ba-C-O +mp-1215131,Ba2C4O9,-7.8924835597,-2.2076295429,0.1128110151,0.1128110151,GGA,P-1,A2B4C9_aP30_2_2i_4i_9i:Ba-C-O,30.0,A2B4C9_aP30_2_2i_4i_9i:Ba-C-O +mp-1214434,BaCO4,-7.1054227775,-1.9496902312,0.2869814919,0.2869814919,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ba-C-O,24.0,ABC4_oP24_62_c_c_2cd:Ba-C-O +mp-30237,Ba(CO)4,-8.0098602628,-1.4964834011,0.2896884029,0.2896884029,GGA,I4/mcm,AB4C4_tI36_140_a_l_l:Ba-C-O,18.0,AB4C4_tI36_140_a_l_l:Ba-C-O +mp-21906,U20Si16C3,-8.9496636249,-0.223528108,0.0337331075,0.0337331075,GGA,P6/mmm,A3B16C20_hP39_191_f_hn_abilm:C-Si-U,39.0,A3B16C20_hP39_191_f_hn_abilm:C-Si-U +mp-28838,U3(SiC)2,-9.2595184271,-0.2334902736,0.0,-0.0262126577,GGA,I4/mmm,A2B2C3_tI14_139_e_e_ae:C-Si-U,7.0,A2B2C3_tI14_139_e_e_ae:C-Si-U +mp-29653,U3Si2C3,-9.044384125,0.0069736959,0.2150417163,0.2150417163,GGA,I4/mmm,A3B2C3_tI16_139_ad_e_be:C-Si-U,8.0,A3B2C3_tI16_139_ad_e_be:C-Si-U +mp-642273,U6Fe16Si7C,-8.7489600957,-0.3998037249,0.0,-0.0272475543,GGA,Fm-3m,AB16C7D6_cF120_225_a_2f_bd_e:C-Fe-Si-U,30.0,"Invalid WP multiplicities - AB16C7D6_cF120_225_a_7f_b2d_e:C-Fe-Si-U, expected U6Fe56Si13C to be U6Fe16Si7C" +mp-1205771,UFe2SiC,-8.931351252,-0.3542640615,0.0,-0.0180114924,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-U,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-U +mp-22753,UFeC2,-9.2104799888,0.3442105625,0.488784775,0.4275439463,GGA,I-42d,A2BC_tI16_122_d_a_b:C-Fe-U,8.0,A2BC_tI16_122_d_a_b:C-Fe-U +mp-1095137,UFeC2,-9.6992647637,-0.1445742125,0.0,-0.0612408287,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Fe-U,8.0,A2BC_tP8_129_2c_a_c:C-Fe-U +mp-1110943,K2CuSbI6,-2.872051582,-0.9431311916,0.085441967,0.085441967,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Sb +mp-1110954,K3SbI6,-2.824935824,-1.1948962059,0.1011572765,0.1011572765,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Sb,10.0,A6B3C_cF40_225_e_ac_b:I-K-Sb +mp-13926,Rb2NaYF6,-5.698446903,-3.5765530673,0.0,-0.041822472,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Y +mp-676023,NaY3F10,-6.9407558964,-4.095275303,0.1354715839,0.1354715839,GGA,P4_2/mmc,A10BC3_tP28_131_cer_a_bi:F-Na-Y,28.0,"Invalid WP multiplicities - A10BC3_tP28_131_2c2e2r_a_2b2i:F-Na-Y, expected NaY6F20 to be NaY3F10" +mp-675778,NaY2F7,-6.88449741,-4.1209153807,0.0309404227,0.0309404227,GGA,C2/m,A7BC2_mC20_12_a3i_d_i:F-Na-Y,10.0,"Invalid WP multiplicities - A7BC2_mC20_12_a5i_c_i:F-Na-Y, expected NaY2F11 to be NaY2F7" +mp-1220768,NaYF4,-6.5390506783,-3.9665652989,0.00121131,-0.0350777171,GGA,P1,A4BC_aP18_1_12a_3a_3a:F-Na-Y,18.0,A4BC_aP18_1_12a_3a_3a:F-Na-Y +mp-675161,NaYF4,-6.5387388861,-3.9662535066,0.0015231022,-0.0347659249,GGA,Pc,A4BC_mP36_7_12a_3a_3a:F-Na-Y,36.0,"Invalid WP multiplicities - A4BC_mP36_7_24a_5a_5a:F-Na-Y, expected Na5Y5F24 to be NaYF4" +mp-1220682,NaYF4,-6.5402619883,-3.9677766089,0.0,-0.0362890271,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-Na-Y,6.0,A4BC_tP6_123_i_a_d:F-Na-Y +mp-34806,NaYF4,-6.5308662956,-3.9583809161,0.0093956928,-0.0268933343,GGA,P3,A4BC_hP18_143_4d_a2b_a2c:F-Na-Y,18.0,"Invalid WP multiplicities - A4BC_hP18_143_12d_a2b_a2c:F-Na-Y, expected NaYF12 to be NaYF4" +mp-37267,NaYF4,-6.5281810944,-3.955695715,0.0120808939,-0.0242081332,GGA,P-6,A4BC_hP18_174_jkl_ah_bi:F-Na-Y,18.0,"Invalid WP multiplicities - A4BC_hP18_174_3j3k2l_ah_bi:F-Na-Y, expected NaYF10 to be NaYF4" +mp-1210270,Na2YF6,-5.5938600889,-3.3071494772,0.0,-0.0089620592,GGA,P-62m,A6B2C_hP9_189_fg_c_b:F-Na-Y,9.0,A6B2C_hP9_189_fg_c_b:F-Na-Y +mp-1114251,Na3YF6,-5.578170534,-3.3878784541,0.168192933,0.168192933,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Na-Y,10.0,A6B3C_cF40_225_e_ac_b:F-Na-Y +mp-1110639,CsK2ScF6,-5.539922621,-3.4481683034,0.1151038201,0.1151038201,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Sc +mp-1113131,Cs2KScF6,-5.651617617,-3.5813629569,0.0,-0.0390554563,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Sc +mp-735436,Be(NF2)2,-4.6900035209,-0.6816722945,0.8408952801,0.8408952801,GGA,Pna2_1,AB4C2_oP56_33_2a_8a_4a:Be-F-N,56.0,AB4C2_oP56_33_2a_8a_4a:Be-F-N +mp-1214850,Be(NF2)2,-4.7344777246,-0.7261464982,0.7964210763,0.7964210763,GGA,Pna2_1,AB4C2_oP56_33_2a_8a_4a:Be-F-N,56.0,AB4C2_oP56_33_2a_8a_4a:Be-F-N +mp-726066,Be(NF2)2,-4.7353176868,-0.7269864604,0.7955811142,0.7955811142,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Be-F-N,28.0,AB4C2_oP28_62_c_2cd_2c:Be-F-N +mp-728548,Be3Zn2(NF6)2,-4.7458033661,-1.9379895095,0.5668485713,0.5668485713,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-N-Zn,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-N-Zn +mp-1207389,ZnNF3,-3.637168648,-0.5710335605,0.9907668865,0.9907668865,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-N-Zn,5.0,A3BC_cP5_221_c_a_b:F-N-Zn +mp-1025221,Zn(NF2)2,-4.1072827257,-0.4531899643,0.6623817836,0.6623817836,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:F-N-Zn,7.0,A4B2C_tI14_139_ce_e_a:F-N-Zn +mp-1214301,BeNF3,-5.1360772695,-1.574008331,0.5575862733,0.5575862733,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Be-F-N,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_5e_e:Be-F-N, expected BeNF5 to be BeNF3" +mp-1188955,BeNF3,-4.9186266665,-1.356557728,0.7750368763000001,0.7750368763000001,GGA,Pnma,AB3C_oP20_62_c_cd_c:Be-F-N,20.0,AB3C_oP20_62_c_cd_c:Be-F-N +mp-14623,K5CuAs2,-2.7132984131,-0.3421186362,0.0,-0.0071163081,GGA,P6_3/mmc,A2BC5_hP16_194_f_c_def:As-Cu-K,16.0,A2BC5_hP16_194_f_c_def:As-Cu-K +mp-14205,K3Cu3As2,-3.42691037,-0.3085286624,0.0,-0.0210441125,GGA,R-3m,A2B3C3_hR24_166_c_d_ac:As-Cu-K,8.0,A2B3C3_hR24_166_c_d_ac:As-Cu-K +mp-15684,K2CuAs,-3.0929830075,-0.3482022653,0.0,-0.0228786159,GGA,Cmcm,ABC2_oC16_63_c_a_g:As-Cu-K,8.0,ABC2_oC16_63_c_a_g:As-Cu-K +mp-8608,K(Cu2As)2,-4.01757361,-0.1853646904,0.0,-0.0246035731,GGA,R-3m,A2B4C_hR21_166_c_2c_a:As-Cu-K,7.0,A2B4C_hR21_166_c_2c_a:As-Cu-K +mp-1112251,K2CuAsF6,-4.642603176,-2.3978034986,0.1024366114,0.1024366114,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cu-F-K +mp-1112186,K2InAsF6,-4.6177932980000005,-2.5077459146,0.2225545451,0.2225545451,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-In-K +mp-27389,KSb2F7,-5.0847224955,-2.8098470756,0.0,-0.0042129167,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-K-Sb,40.0,A7BC2_mP40_14_7e_e_2e:F-K-Sb +mp-556888,KSbF6,-4.9927999394,-2.9042656904,0.0003419269,-0.2388027928,GGA,P4_2/mcm,A6BC_tP16_132_io_b_c:F-K-Sb,16.0,"Invalid WP multiplicities - A6BC_tP16_132_3i3o_b_c:F-K-Sb, expected KSbF18 to be KSbF6" +mp-541908,KSbF6,-4.9931418663,-2.9046076173,0.0,-0.2391447197,GGA,Ia-3,A6BC_cI64_206_e_a_b:F-K-Sb,32.0,A6BC_cI64_206_e_a_b:F-K-Sb +mp-27211,KSb4F13,-5.1175453306,-2.7577880814,0.0,-0.0022698197,GGA,I-4,A13BC4_tI36_82_a3g_c_g:F-K-Sb,18.0,"Invalid WP multiplicities - A13BC4_tI36_82_a4g_c_g:F-K-Sb, expected KSb4F17 to be KSb4F13" +mp-560043,KSb4F13,-5.0504936511,-2.690736402,0.0670516794,0.0647818597,GGA,I4/m,A13BC4_tI36_87_ahi_b_h:F-K-Sb,18.0,"Invalid WP multiplicities - A13BC4_tI36_87_a2h4i_b_h:F-K-Sb, expected KSb4F41 to be KSb4F13" +mp-1110671,K2RbSbF6,-4.678903437,-2.7989827358,0.1166551935,0.1166551935,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Sb +mp-649747,K2SbF5,-4.9049768348,-2.9165775884,0.0093352045,-0.0245450014,GGA,P2_1,A5B2C_mP176_4_55a_22a_11a:F-K-Sb,176.0,"Invalid WP multiplicities - A5B2C_mP176_4_109a_43a_20a:F-K-Sb, expected K43Sb20F109 to be K2SbF5" +mp-1205479,K2SbF5,-4.9098078351000005,-2.9214085886000003,0.0045042043,-0.0293760016,GGA,P2_1,A5B2C_mP176_4_55a_22a_11a:F-K-Sb,176.0,A5B2C_mP176_4_55a_22a_11a:F-K-Sb +mp-613518,K2SbF5,-4.8700367278000005,-2.8816374814,0.0442753116,0.0103951056,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-K-Sb,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_16e_5e_e:F-K-Sb, expected K5SbF16 to be K2SbF5" +mp-613569,K2SbF5,-4.9117539822000005,-2.9233547358000003,0.0025580572,-0.0313221488,GGA,P2_1/c,A5B2C_mP96_14_15e_6e_3e:F-K-Sb,96.0,"Invalid WP multiplicities - A5B2C_mP96_14_58e_20e_11e:F-K-Sb, expected K20Sb11F58 to be K2SbF5" +mp-1205394,K2SbF5,-4.9143120394,-2.9259127929,0.0,-0.0338802059,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-K-Sb,32.0,A5B2C_mP32_14_5e_2e_e:F-K-Sb +mp-3379,K2SbF5,-4.9090269888,-2.9206277423,0.0052850506,-0.0285951553,GGA,Cmcm,A5B2C_oC32_63_ch_2c_c:F-K-Sb,16.0,"Invalid WP multiplicities - A5B2C_oC32_63_c2h_2c_c:F-K-Sb, expected K2SbF9 to be K2SbF5" +mp-5079,KSbF4,-5.0249559512,-2.8774032751,0.0,-0.0159714363,GGA,Pmmn,A4BC_oP48_59_ef3g_ce_ef:F-K-Sb,48.0,A4BC_oP48_59_ef3g_ce_ef:F-K-Sb +mp-1110845,K3SbF6,-4.72934146,-2.8364342714,0.0914800675,0.0914800675,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Sb,10.0,A6B3C_cF40_225_e_ac_b:F-K-Sb +mp-505219,Rb2V4O9,-7.9804111837,-2.4592851286,0.0049348447,0.0049348447,GGA+U,P4_2/m,A9B2C4_tP30_84_e2k_j_k:O-Rb-V,30.0,A9B2C4_tP30_84_e2k_j_k:O-Rb-V +mp-1190911,Rb3V5O14,-7.7567145382,-2.4105884234,0.0,-0.0223925875,GGA+U,P31m,A14B3C5_hP22_157_b2cd_c_bc:O-Rb-V,22.0,A14B3C5_hP22_157_b2cd_c_bc:O-Rb-V +mp-1180695,Rb3VO8,-5.4814747279,-1.1815565631,0.3371114131,0.3371114131,GGA+U,Pbca,A8B3C_oP96_61_8c_3c_c:O-Rb-V,96.0,A8B3C_oP96_61_8c_3c_c:O-Rb-V +mp-16864,RbV3O8,-8.0201884188,-2.3697082544,0.0,-0.0060423185,GGA+U,P2_1/m,A8BC3_mP24_11_2e3f_e_ef:O-Rb-V,24.0,A8BC3_mP24_11_2e3f_e_ef:O-Rb-V +mp-1194597,RbTaV2O8,-8.5806977608,-2.6990616331,0.0,-0.0081085002,GGA+U,Pnma,A8BCD2_oP48_62_4c2d_c_c_2c:O-Rb-Ta-V,48.0,A8BCD2_oP48_62_4c2d_c_c_2c:O-Rb-Ta-V +mp-510519,Rb2V3O8,-7.74405446,-2.4528009181,0.0,-0.0260946858,GGA+U,P4bm,A8B2C3_tP26_100_abcd_c_ac:O-Rb-V,26.0,A8B2C3_tP26_100_abcd_c_ac:O-Rb-V +mp-1179789,Rb2V3O8,-7.7320026608,-2.4407491188,0.0120517992,-0.0140428865,GGA+U,P4bm,A8B2C3_tP26_100_abcd_c_ac:O-Rb-V,26.0,A8B2C3_tP26_100_abcd_c_ac:O-Rb-V +mp-753320,RbV4O10,-8.1455851747,-2.3600488103,0.031942572,0.031942572,GGA+U,C2/m,A10BC4_mC30_12_5i_a_2i:O-Rb-V,15.0,"Invalid WP multiplicities - A10BC4_mC30_12_9i_a_3i:O-Rb-V, expected RbV6O18 to be RbV4O10" +mp-19031,RbVO3,-7.391282189,-2.4103809338,0.0,-0.0096886698,GGA+U,Pbcm,A3BC_oP20_57_c2d_d_d:O-Rb-V,20.0,A3BC_oP20_57_c2d_d_d:O-Rb-V +mp-1076638,RbVO3,-7.033888604,-2.0529873488,0.357393585,0.3477049152,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-V,5.0,A3BC_cP5_221_c_a_b:O-Rb-V +mp-1209602,Rb5V3O10,-6.9231122738,-2.3885969579,0.0,-0.1910141013,GGA+U,P4_12_12,A10B5C3_tP72_92_5b_a2b_ab:O-Rb-V,72.0,A10B5C3_tP72_92_5b_a2b_ab:O-Rb-V +mp-1076354,Rb2V2O5,-7.1845278978,-2.1998252488,0.1805543675,0.1805543675,GGA+U,Ima2,A5B2C2_oI36_46_b2c_c_ab:O-Rb-V,18.0,A5B2C2_oI36_46_b2c_c_ab:O-Rb-V +mp-726133,Rb4V2O9,-6.2422151707,-1.8015387152,0.23908665,0.23908665,GGA+U,P-1,A9B4C2_aP15_2_a4i_2i_i:O-Rb-V,15.0,A9B4C2_aP15_2_a4i_2i_i:O-Rb-V +mp-1197277,CsU(SeO4)2,-7.0267856894,-2.1307736038,0.0517349191,0.0517349191,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Cs-O-Se-U,48.0,AB8C2D_mP48_14_e_8e_2e_e:Cs-O-Se-U +mp-1197888,InAu(I4N)2,-2.4879414523,0.3858490794,0.7763656021,0.7763656021,GGA,Pnma,AB8CD2_oP48_62_a_2c3d_c_d:Au-I-In-N,48.0,AB8CD2_oP48_62_a_2c3d_c_d:Au-I-In-N +mp-1191052,InI4N,-2.5610078113,0.2692661979,0.8735681046,0.8735681046,GGA,Pnna,A4BC_oP24_52_2e_c_d:I-In-N,24.0,A4BC_oP24_52_2e_c_d:I-In-N +mp-1197816,AuI5N,-2.0904504912,0.6205793195,0.7720631527,0.7720631527,GGA,Pnma,AB5C_oP56_62_ac_2c4d_d:Au-I-N,56.0,AB5C_oP56_62_ac_2c4d_d:Au-I-N +mp-1215018,Au3I8N3,-2.5397054914,0.7901560496000001,1.0173817995,1.0173817995,GGA,C2/c,A3B8C3_mC56_15_cf_4f_ef:Au-I-N,28.0,A3B8C3_mC56_15_af_4f_ef:Au-I-N +mp-1214882,AuI3N,-2.5135935195,0.6925016755000001,0.904579042,0.904579042,GGA,P2_1/c,AB3C_mP20_14_ad_3e_e:Au-I-N,20.0,AB3C_mP20_14_ab_3e_e:Au-I-N +mp-540842,U2CoO6,-9.7439817426,-3.1471739556,0.0645002969,0.0645002969,GGA+U,P321,AB6C2_hP27_150_ad_3g_ef:Co-O-U,27.0,"Invalid WP multiplicities - AB6C2_hP27_150_ad_15g_2ef:Co-O-U, expected U3CoO30 to be U2CoO6" +mp-1067817,Sr2UCo,-3.9320409525,1.5126377254,1.6467444798000002,1.6467444798000002,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Sr-U,4.0,AB2C_cF16_225_a_c_b:Co-Sr-U +mp-22415,Sr2UCoO6,-8.1566844585,-3.0107997606,0.1390767463,0.1390767463,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-U,20.0,AB6C2D_mP20_14_a_3e_e_b:Co-O-Sr-U +mp-19089,UCoO4,-9.0684640525,-2.7040502775,0.1330443304,0.1330443304,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Co-O-U,12.0,AB4C_oI24_74_a_hi_e:Co-O-U +mp-22523,U2Co3O8,-8.9608014146,-2.5391642535,0.0796923077,0.0796923077,GGA+U,Pnnm,A3B8C2_oP26_58_af_2gh_g:Co-O-U,26.0,A3B8C2_oP26_58_af_2gh_g:Co-O-U +mp-1179265,U2Co3O8,-8.4725221046,-2.0508849435,0.5679716177,0.5679716177,GGA+U,Pm,A3B8C2_mP26_6_ab2c_4a4b4c_2a2b:Co-O-U,26.0,"Invalid WP multiplicities - A3B8C2_mP26_6_ab4c_4a4b8c_2a2b:Co-O-U, expected U2Co5O12 to be U2Co3O8" +mp-1193472,U2Co3O8,-8.5544011842,-2.1327640231,0.4860925381,0.4860925381,GGA+U,Pmn2_1,A3B8C2_oP26_31_ab_4a2b_2a:Co-O-U,26.0,A3B8C2_oP26_31_ab_4a2b_2a:Co-O-U +mp-1211627,K3NaBe2F8,-5.2714675936,-3.3125833361,0.0,-0.0008065521,GGA,P-3m1,A2B8C3D_hP14_164_d_di_ad_b:Be-F-K-Na,14.0,A2B8C3D_hP14_164_d_di_ad_b:Be-F-K-Na +mp-1110951,K2AgMoI6,-3.359730735,-0.8858105243000001,0.1006193198,0.1006193198,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Mo +mp-27482,Ag4P2S7,-4.3720302573,-0.4403396346,0.0065854319,0.0065854319,GGA,C2/c,A4B2C7_mC52_15_2f_f_e3f:Ag-P-S,26.0,"Invalid WP multiplicities - A4B2C7_mC52_15_2f_f_2e5f:Ag-P-S, expected Ag2PS6 to be Ag4P2S7" +mp-1197032,Ag7PS6,-3.9160807105,-0.3403740154,0.0034787734,0.0034787734,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Ag-P-S,56.0,A7BC6_cP56_198_a2b_a_3ab:Ag-P-S +mp-1207470,ZnAg2(PS3)2,-4.4298549016,-0.5598403715,0.0086841529,0.0086841529,GGA,C2/c,A2B2C6D_mC88_15_2f_2f_6f_f:Ag-P-S-Zn,44.0,A2B2C6D_mC88_15_2f_2f_6f_f:Ag-P-S-Zn +mp-12459,Ag3PS4,-4.2381895281,-0.4310932801,0.0,-0.0257416122,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Ag-P-S,16.0,"Invalid WP multiplicities - A3BC4_oP16_31_ab_a_2a2b:Ag-P-S, expected Ag3PS6 to be Ag3PS4" +mp-558807,ZnAgPS4,-4.3687398354,-0.6471110371000001,0.0,-0.0040963448,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Ag-P-S-Zn,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_12a_a:Ag-P-S-Zn, expected ZnAgPS12 to be ZnAgPS4" +mp-5470,AgPS3,-4.593607009,-0.4625653869,0.009690538,0.009690538,GGA,C2/m,ABC3_mC20_12_g_i_h2i:Ag-P-S,10.0,ABC3_mC20_12_g_i_h2i:Ag-P-S +mp-27656,Zn2(PS3)3,-4.6800387729,-0.6809356627,0.0,-0.0071787514,GGA,C2/m,A3B9C2_mC56_12_3i_3i3j_j:P-S-Zn,28.0,"Invalid WP multiplicities - A3B9C2_mC56_12_3i_5i5j_j:P-S-Zn, expected Zn2(PS5)3 to be Zn2(PS3)3" +mp-30311,Zn3(PS4)2,-4.4360395742,-0.7670061297,0.0064217393,0.0064217393,GGA,P-4n2,A2B8C3_tP26_118_f_2i_ah:P-S-Zn,26.0,"Invalid WP multiplicities - A2B8C3_tP26_118_f_3i_ah:P-S-Zn, expected Zn3(PS6)2 to be Zn3(PS4)2" +mp-3342,ZnPS3,-4.523797902,-0.7073187585,0.0255224345,0.0255224345,GGA,C2/m,AB3C_mC20_12_i_ij_g:P-S-Zn,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_i2j_g:P-S-Zn, expected ZnPS5 to be ZnPS3" +mp-558469,Ag2PS3,-4.3415890778,-0.4269617255,0.0016688699,0.0016688699,GGA,P2_1/c,A2BC3_mP72_14_6e_3e_9e:Ag-P-S,72.0,"Invalid WP multiplicities - A2BC3_mP72_14_22e_9e_31e:Ag-P-S, expected Ag22P9S31 to be Ag2PS3" +mp-561822,Ag2PS3,-4.3325620644,-0.417934712,0.0106958833,0.0106958833,GGA,P2_12_12_1,A2BC3_oP48_19_4a_2a_6a:Ag-P-S,48.0,"Invalid WP multiplicities - A2BC3_oP48_19_13a_8a_21a:Ag-P-S, expected Ag13P8S21 to be Ag2PS3" +mp-683910,Ag7P3S11,-4.3059591652,-0.4217330662,0.0191608436,0.0191608436,GGA,C2/c,A7B3C11_mC168_15_7f_3f_11f:Ag-P-S,84.0,"Invalid WP multiplicities - A7B3C11_mC168_15_26f_9f_39f:Ag-P-S, expected Ag26(P3S13)3 to be Ag7P3S11" +mp-16808,La2(WO4)3,-9.1207389406,-2.7615230915,0.0190656375,0.0190656375,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:La-O-W,34.0,A2B12C3_mC68_15_f_6f_ef:La-O-W +mp-1223362,La7Ta3(W2O15)2,-9.4150622305,-3.2705493922,0.0,-0.0005671367,GGA+U,P-1,A7B30C3D4_aP44_2_a3i_15i_di_2i:La-O-Ta-W,44.0,"Invalid WP multiplicities - A7B30C3D4_aP44_2_a6i_30i_di_4i:La-O-Ta-W, expected La13Ta3(W2O15)4 to be La7Ta3(W2O15)2" +mp-685542,La2(WO3)19,-9.1979654291,-2.3000456199,0.0023993301,0.0023993301,GGA+U,P-1,A2B57C19_aP78_2_i_abe27i_c9i:La-O-W,78.0,"Invalid WP multiplicities - A2B57C19_aP78_2_i_abe54i_c17i:La-O-W, expected La2W35O111 to be La2(WO3)19" +mp-772579,La2WO6,-9.1091780472,-3.2747028575,0.0292404511,-0.0426194054,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:La-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_ef2g_23g_g:La-O-W, expected La3WO23 to be La2WO6" +mp-770889,La2WO6,-9.1069887978,-3.2725136081,0.0314297006,-0.040430156,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:La-O-W,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_3e2f_19f_f:La-O-W, expected La7(WO19)2 to be La2WO6" +mp-774193,La2WO6,-9.1384184983,-3.3039433086,0.0,-0.0718598566,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:La-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:La-O-W, expected La5WO21 to be La2WO6" +mp-778484,La2WO6,-9.1203174303,-3.2858422406,0.0181010681,-0.0537587885,GGA+U,P2_12_12_1,A2B6C_oP72_19_4a_12a_2a:La-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_19_13a_45a_5a:La-O-W, expected La13(WO9)5 to be La2WO6" +mp-554597,La2WO6,-9.1080799478,-3.2736047581,0.0303385506,-0.041521306,GGA+U,P2_12_12_1,A2B6C_oP72_19_4a_12a_2a:La-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_19_13a_44a_5a:La-O-W, expected La13W5O44 to be La2WO6" +mp-1202686,La2WO6,-9.1244548898,-3.2899797001,0.0139636085,-0.057896248,GGA+U,Pmn2_1,A2B6C_oP54_31_2a2b_2a8b_ab:La-O-W,54.0,A2B6C_oP54_31_2a2b_2a8b_ab:La-O-W +mp-781015,La2WO6,-9.1144985504,-3.2800233607,0.0239199479,-0.0479399086,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:La-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_61_5c_21c_c:La-O-W, expected La5WO21 to be La2WO6" +mp-1041394,La2WO6,-8.9993076122,-3.1648324225,0.1391108861,0.0672510296,GGA+U,R-3,A2B6C_hR27_148_c_f_a:La-O-W,9.0,A2B6C_hR27_148_c_f_a:La-O-W +mp-755135,La6WO12,-8.9891034284,-3.6241330392,0.0,-0.0196828022,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:La-O-W,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:La-O-W, expected La6WO42 to be La6WO12" +mp-1211437,LaWO2,-8.677483455,-1.7306047656,1.1385005571,1.1385005571,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:La-O-W,16.0,AB2C_tI32_141_c_h_d:La-O-W +mp-766003,LaW9O28,-9.112154785,-2.2683004932,0.0491687246,0.0491687246,GGA+U,P6mm,AB28C9_hP38_183_a_acdef_ce:La-O-W,38.0,"Invalid WP multiplicities - AB28C9_hP38_183_a_a2c3d4e5f_2c2e:La-O-W, expected LaW18O109 to be LaW9O28" +mp-675527,La(WO3)11,-9.1925173009,-2.2877135874,0.0,-0.000115923,GGA+U,P-1,AB33C11_aP45_2_b_aeh15i_c5i:La-O-W,45.0,"Invalid WP multiplicities - AB33C11_aP45_2_b_aeh30i_c9i:La-O-W, expected LaW19O63 to be La(WO3)11" +mp-30162,La2W2O9,-9.1231605285,-2.9455856768,0.0161642528,0.0161642528,GGA+U,P-1,A2B9C2_aP26_2_2i_9i_2i:La-O-W,26.0,A2B9C2_aP26_2_2i_9i_2i:La-O-W +mp-1112268,CsK2TaF6,-5.484222906,-2.8399377359,0.3070300156,0.3070300156,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ta +mp-1110984,Cs2KTaF6,-5.578490787,-2.9557052744,0.1633095793,0.1633095793,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ta +mp-1211782,KZr6NCl15,-6.0692666532,-2.2231298031,0.0,-0.0025711743,GGA,Pmma,A15BCD6_oP92_51_efgijk5l_k_af_2fi2l:Cl-K-N-Zr,92.0,A15BCD6_oP92_51_efgijk5l_k_af_2fi2l:Cl-K-N-Zr +mp-1079603,BaCdPF,-4.4574971375,-1.915835594,0.00873036,0.00873036,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cd-F-P,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cd-F-P +mp-1111115,K3NbF6,-5.450540835,-2.9604032664,0.12276884,0.12276884,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Nb,10.0,A6B3C_cF40_225_e_ac_b:F-K-Nb +mp-1188228,KNbF6,-6.2524045394,-3.4173323154,0.00140919,-0.0476512405,GGA,P-4c2,A6BC_tP16_116_ej_c_b:F-K-Nb,16.0,A6BC_tP16_116_ej_c_b:F-K-Nb +mp-7571,KNbF6,-6.2538137294,-3.4187415054,0.0,-0.0490604305,GGA,P4_2/mcm,A6BC_tP16_132_io_b_c:F-K-Nb,16.0,"Invalid WP multiplicities - A6BC_tP16_132_i2o_b_c:F-K-Nb, expected KNbF10 to be KNbF6" +mp-1112365,K2NbHgF6,-5.150408879,-2.7409431686,0.1955847641,0.1955847641,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Nb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Nb +mp-675780,KNb3F9,-6.5229975142,-2.7831802239,0.293690431,0.293690431,GGA,P1,A9BC3_aP26_1_18a_2a_6a:F-K-Nb,26.0,A9BC3_aP26_1_18a_2a_6a:F-K-Nb +mp-1173011,KNb3F9,-6.5207990442,-2.7809817539,0.295888901,0.295888901,GGA,C222_1,A9BC3_oC52_20_a4c_a_bc:F-K-Nb,26.0,"Invalid WP multiplicities - A9BC3_oC52_20_a8c_a_b2c:F-K-Nb, expected KNb5F17 to be KNb3F9" +mp-4758,K2NbF7,-5.9473134343,-3.3770678636,0.0,-0.0548905548,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:F-K-Nb,40.0,A7B2C_mP40_14_7e_2e_e:F-K-Nb +mp-1205684,KScTl2F6,-5.499072062,-3.135369247,0.0082287439,0.0082287439,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Sc-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Sc-Tl +mp-1111416,K2ScTlF6,-5.5358156780000005,-3.2973372829,0.0540215859,0.0540215859,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Sc-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Sc-Tl +mp-549697,RbGeIO6,-5.6108727767,-1.5267549383,0.0,-0.0478861537,GGA,P312,ABC6D_hP9_149_a_c_l_f:Ge-I-O-Rb,9.0,ABC6D_hP9_149_a_c_l_f:Ge-I-O-Rb +mp-567855,RbGeI3,-3.065395051,-1.0606628555,0.004599303,0.004599303,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:Ge-I-Rb,20.0,"Invalid WP multiplicities - AB3C_oP20_19_a_10a_a:Ge-I-Rb, expected RbGeI10 to be RbGeI3" +mp-571458,RbGeI3,-3.057070348,-1.0523381525,0.012924006,0.012924006,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ge-I-Rb,5.0,AB3C_cP5_221_b_c_a:Ge-I-Rb +mp-1199580,ZnCu(CO3)4,-6.6627683328,-1.0164418447,0.4954393571,0.4954393571,GGA,P2_1/c,A4BC12D_mP36_14_2e_a_6e_d:C-Cu-O-Zn,36.0,A4BC12D_mP36_14_2e_a_6e_d:C-Cu-O-Zn +mp-1203203,ZnCuCO5,-6.1502015778,-1.2350691617,0.1671132334,0.1671132334,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:C-Cu-O-Zn,32.0,ABC5D_mP32_14_e_e_5e_e:C-Cu-O-Zn +mp-1216243,Zn3Cu2(CO6)2,-5.929869475,-1.2038042282,0.1722554393,0.1722554393,GGA,P2_1,A2B2C12D3_mP38_4_2a_2a_12a_3a:C-Cu-O-Zn,38.0,A2B2C12D3_mP38_4_2a_2a_12a_3a:C-Cu-O-Zn +mp-1216084,ZnCu7(CO5)4,-6.2897742937,-1.1084422158,0.142899806,0.142899806,GGA,P1,A4B7C20D_aP32_1_4a_7a_20a_a:C-Cu-O-Zn,32.0,A4B7C20D_aP32_1_4a_7a_20a_a:C-Cu-O-Zn +mp-557743,KCaAl2F9,-6.0012769936,-3.8620107479,0.0,-0.0028005278,GGA,C222_1,A2BC9D_oC156_20_3c_bc_a13c_ac:Al-Ca-F-K,78.0,"Invalid WP multiplicities - A2BC9D_oC156_20_8c_2b3c_2a50c_2a2c:Al-Ca-F-K, expected K3Ca4Al8F51 to be KCaAl2F9" +mp-643749,KCaF3,-5.4929808435,-3.7228936976,0.002026737,-0.0139568315,GGA,P2_1/m,AB3C_mP20_11_ad_2e2f_2e:Ca-F-K,20.0,AB3C_mP20_11_ac_2e2f_2e:Ca-F-K +mp-5926,KCaF3,-5.4950075805,-3.7249204346,0.0,-0.0159835685,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ca-F-K,20.0,AB3C_oP20_62_a_cd_c:Ca-F-K +mp-4950,KCaF3,-5.471143296,-3.7010561501,0.0238642845,0.007880716,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-F-K,5.0,AB3C_cP5_221_b_c_a:Ca-F-K +mp-1026854,CsKMg14,-1.3218547312,0.2037528949,0.2182292423,0.2182292423,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-K-Mg, expected CsKMg18 to be CsKMg14" +mp-1026845,CsKMg14,-1.2860152319,0.2395923943,0.2540687417,0.2540687417,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-K-Mg, expected CsKMg26 to be CsKMg14" +mp-1040406,CsKMg30O31,-6.0043669019,-2.7764057453,0.1906167552,0.1906167552,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:Cs-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:Cs-K-Mg-O, expected CsKMg38O39 to be CsKMg30O31" +mp-1040265,CsKMg30O31,-6.0412563225,-2.8132951659,0.1537273346,0.1537273346,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:Cs-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:Cs-K-Mg-O, expected CsKMg38O39 to be CsKMg30O31" +mp-1098049,CsKMg6,-1.2052698375,0.2456653649,0.2580736626,0.2580736626,GGA,Pm,ABC6_mP8_6_a_a_2a4b:Cs-K-Mg,8.0,ABC6_mP8_6_a_a_2a4b:Cs-K-Mg +mp-1021376,CsKMg6,-1.1424957969,0.3084394055,0.3208477033,0.3208477033,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-K-Mg, expected CsKMg12 to be CsKMg6" +mp-1021496,CsKMg6,-1.2129041981,0.2380310043,0.250439302,0.250439302,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cs-K-Mg, expected CsKMg12 to be CsKMg6" +mp-1031259,CsKMg6O7,-5.1564562513,-2.0741694115,0.6143961326,0.6143961326,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:Cs-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:Cs-K-Mg-O, expected CsKMg10O11 to be CsKMg6O7" +mp-1033938,CsKMg14O15,-5.6967193013,-2.5157498597,0.3614478161,0.3614478161,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-K-Mg-O +mp-1035964,CsKMg14O15,-5.7620909094,-2.5811214678,0.296076208,0.296076208,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:Cs-K-Mg-O +mp-1217539,TbGd(PO4)2,-9.2386886025,-3.4794716822,0.0007421288,0.0007421288,GGA,I-4m2,AB8C2D_tI24_119_a_2i_bc_d:Gd-O-P-Tb,12.0,"Invalid WP multiplicities - AB8C2D_tI24_119_a_6i_bc_d:Gd-O-P-Tb, expected TbGd(PO12)2 to be TbGd(PO4)2" +mp-3735,GdPO4,-9.9774331696,-3.4314032376,0.0269591613,-0.132553631,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Gd-O-P,24.0,AB4C_mP24_14_e_4e_e:Gd-O-P +mp-1103324,GdPO4,-10.0043923308,-3.4583623989,0.0,-0.1595127923,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Gd-O-P,12.0,AB4C_tI24_141_a_h_b:Gd-O-P +mp-558487,GdP5O14,-8.3352567862,-2.8154429497,0.0,-0.0149609273,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:Gd-O-P,80.0,"Invalid WP multiplicities - AB14C5_mP80_14_e_55e_19e:Gd-O-P, expected GdP19O55 to be GdP5O14" +mp-579125,Gd(PO3)3,-8.7513451957,-2.9947122602,0.0,-0.0203437035,GGA,C2/c,AB9C3_mC208_15_2f_18f_2e5f:Gd-O-P,104.0,"Invalid WP multiplicities - AB9C3_mC208_15_5f_71f_4e20f:Gd-O-P, expected Gd5P22O71 to be Gd(PO3)3" +mp-559288,Gd(PO3)3,-8.7373672754,-2.9807343399,0.0139779203,-0.0063657832,GGA,C222_1,AB9C3_oC52_20_a_b4c_ac:Gd-O-P,26.0,"Invalid WP multiplicities - AB9C3_oC52_20_a_2b15c_2ac:Gd-O-P, expected Gd(PO8)4 to be Gd(PO3)3" +mp-1217571,TbGd3(PO4)4,-9.6214057625,-3.4687823364,0.0005057685,0.0005057685,GGA,Cm,A3B16C4D_mC48_8_3a_8a4b_4a_a:Gd-O-P-Tb,24.0,"Invalid WP multiplicities - A3B16C4D_mC48_8_3a_8a8b_4a_a:Gd-O-P-Tb, expected TbGd3(PO6)4 to be TbGd3(PO4)4" +mp-780240,Gd2P4O13,-9.1281564218,-3.1222402243,0.019418445,0.0188878691,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Gd-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Gd-O-P, expected GdP5O17 to be Gd2P4O13" +mp-779989,Gd2P4O13,-9.1214248611,-3.1155086635,0.0261500058,0.0256194299,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Gd-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:Gd-O-P, expected Gd7(P5O17)3 to be Gd2P4O13" +mp-771342,Gd2P4O13,-9.1236736237,-3.1177574262,0.0239012432,0.0233706673,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Gd-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e23f_3f:Gd-O-P, expected Gd(PO8)3 to be Gd2P4O13" +mp-772787,Gd2P4O13,-9.1475748668,-3.1416586693,0.0,-0.0005305759,GGA,C222_1,A2B13C4_oC76_20_c_a6c_2c:Gd-O-P,38.0,"Invalid WP multiplicities - A2B13C4_oC76_20_c_2a11c_3c:Gd-O-P, expected Gd(PO4)3 to be Gd2P4O13" +mp-626735,BaH4O3,-5.5549134,-1.7636702433,0.0142875369,0.0102368059,GGA,P1,AB4C3_aP16_1_2a_8a_6a:Ba-H-O,16.0,AB4C3_aP16_1_2a_8a_6a:Ba-H-O +mp-626720,BaH4O3,-5.5487583831,-1.7575152264,0.0204425538,0.0163918228,GGA,P2_1,AB4C3_mP16_4_a_4a_3a:Ba-H-O,16.0,"Invalid WP multiplicities - AB4C3_mP16_4_a_6a_3a:Ba-H-O, expected Ba(H2O)3 to be BaH4O3" +mp-626726,BaH4O3,-5.5621113662,-1.7708682095,0.0070895706,0.0030388397,GGA,P2_1/m,AB4C3_mP16_11_e_2ef_3e:Ba-H-O,16.0,AB4C3_mP16_11_e_2ef_3e:Ba-H-O +mp-23904,BaH4O3,-5.5692009369,-1.7779577802,0.0,-0.0040507309,GGA,Pmc2_1,AB4C3_oP16_26_a_2bc_a2b:Ba-H-O,16.0,"Invalid WP multiplicities - AB4C3_oP16_26_a_2bc_2a3b:Ba-H-O, expected BaH4O5 to be BaH4O3" +mp-707786,Ba(H9O5)2,-4.6878822727,-0.8101260360000001,0.6111702753,0.6111702753,GGA,P2_1/c,AB18C10_mP116_14_e_18e_10e:Ba-H-O,116.0,AB18C10_mP116_14_e_18e_10e:Ba-H-O +mp-1182823,Ba(H9O5)2,-4.7331040951,-0.8553478584,0.5659484528000001,0.5659484528000001,GGA,P2_1/c,AB18C10_mP116_14_e_18e_10e:Ba-H-O,116.0,AB18C10_mP116_14_e_18e_10e:Ba-H-O +mp-625873,Ba(HO2)2,-5.5014478214,-1.4312789821,0.1018002089,0.1018002089,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:Ba-H-O,28.0,AB2C4_mP28_14_e_2e_4e:Ba-H-O +mp-626690,TlHO,-4.5323140275,-0.9649613932,0.0862668637,0.0862668637,GGA,P1,ABC_aP24_1_8a_8a_8a:H-O-Tl,24.0,ABC_aP24_1_8a_8a_8a:H-O-Tl +mp-626647,TlHO,-4.58546263,-1.0181099957,0.0331182613,0.0331182613,GGA,C2,ABC_mC48_5_4c_4c_4c:H-O-Tl,24.0,ABC_mC48_5_4c_4c_4c:H-O-Tl +mp-757586,Ba2Tl(HO)7,-5.5229994362,-1.7243820056,0.0,-0.0041425552,GGA,C2/c,A2B7C7D_mC68_15_f_e3f_e3f_c:Ba-H-O-Tl,34.0,"Invalid WP multiplicities - A2B7C7D_mC68_15_f_e11f_e11f_a:Ba-H-O-Tl, expected Ba2Tl(HO)23 to be Ba2Tl(HO)7" +mp-626295,Ba(H8O5)2,-5.2735052531,-1.3598208542,0.0383864557,0.0323991507,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ba-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ba-H-O +mp-626340,Ba(H8O5)2,-5.2596141378,-1.3459297388,0.0522775711,0.0462902661,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ba-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ba-H-O +mp-626297,Ba(H8O5)2,-5.2838614133,-1.3701770144,0.0280302956,0.0220429906,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ba-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ba-H-O +mp-1182545,Ba(H8O5)2,-5.2721250983,-1.3584406994,0.0397666106,0.0337793056,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ba-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ba-H-O +mp-626263,Ba(H8O5)2,-5.3112602998,-1.3975759008,0.0006314091,-0.0053558959,GGA,Pc,AB16C10_mP54_7_a_16a_10a:Ba-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_7_a_32a_18a:Ba-H-O, expected Ba(H16O9)2 to be Ba(H8O5)2" +mp-626264,Ba(H8O5)2,-5.2862247531,-1.3725403542,0.0256669557,0.0196796507,GGA,Pc,AB16C10_mP54_7_a_16a_10a:Ba-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_7_a_32a_18a:Ba-H-O, expected Ba(H16O9)2 to be Ba(H8O5)2" +mp-1182486,Ba(H8O5)2,-5.2878150109,-1.3741306119,0.024076698,0.018089393,GGA,Cc,AB16C10_mC108_9_a_16a_10a:Ba-H-O,54.0,"Invalid WP multiplicities - AB16C10_mC108_9_a_32a_18a:Ba-H-O, expected Ba(H16O9)2 to be Ba(H8O5)2" +mp-1353537,Ba(H8O5)2,-5.3111121783,-1.3974277794,0.0007795306,-0.0052077744,GGA,P2/c,AB16C10_mP54_13_e_8g_5g:Ba-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_13_e_32g_17g:Ba-H-O, expected Ba(H32O17)2 to be Ba(H8O5)2" +mp-626268,Ba(H8O5)2,-5.3118917089,-1.3982073099,0.0,-0.005987305,GGA,C2/c,AB16C10_mC108_15_e_8f_5f:Ba-H-O,54.0,"Invalid WP multiplicities - AB16C10_mC108_15_e_31f_15f:Ba-H-O, expected Ba(H31O15)2 to be Ba(H8O5)2" +mp-642649,BaH2O3,-5.394327805,-1.470245611,0.2818416862,0.2818416862,GGA,P2_1/m,AB2C3_mP12_11_e_2e_3e:Ba-H-O,12.0,AB2C3_mP12_11_e_2e_3e:Ba-H-O +mp-642653,BaH2O3,-5.3546271383,-1.4305449444,0.3215423529,0.3215423529,GGA,Pmc2_1,AB2C3_oP12_26_a_c_a2b:Ba-H-O,12.0,AB2C3_oP12_26_a_c_a2b:Ba-H-O +mp-28587,BaH8O5,-5.4129292555,-1.5704844801,0.0,-0.0050568827,GGA,Pnma,AB8C5_oP56_62_c_4d_c2d:Ba-H-O,56.0,AB8C5_oP56_62_c_4d_c2d:Ba-H-O +mp-625909,Ba(H2O3)2,-5.4047352964,-1.2983706248,0.0607190205,0.0063528525,GGA,P1,AB4C6_aP22_1_2a_8a_12a:Ba-H-O,22.0,AB4C6_aP22_1_2a_8a_12a:Ba-H-O +mp-625964,Ba(H2O3)2,-5.4346553909,-1.3282907193,0.0307989259,-0.023567242,GGA,P1,AB4C6_aP22_1_2a_8a_12a:Ba-H-O,22.0,AB4C6_aP22_1_2a_8a_12a:Ba-H-O +mp-626015,Ba(H2O3)2,-5.3911394673,-1.2847747957,0.0743148495,0.0199486816,GGA,P1,AB4C6_aP22_1_2a_8a_12a:Ba-H-O,22.0,AB4C6_aP22_1_2a_8a_12a:Ba-H-O +mp-625894,Ba(H2O3)2,-5.3991860241000005,-1.2928213525,0.0662682927,0.0119021248,GGA,C2,AB4C6_mC44_5_ab_4c_6c:Ba-H-O,22.0,"Invalid WP multiplicities - AB4C6_mC44_5_ab_6c_6c:Ba-H-O, expected Ba(HO)6 to be Ba(H2O3)2" +mp-625832,Ba(H2O3)2,-5.1427087205,-1.0363440489,0.3227455964,0.2683794284,GGA,Cc,AB4C6_mC44_9_a_4a_6a:Ba-H-O,22.0,AB4C6_mC44_15_e_2f_3f:Ba-H-O +mp-625888,Ba(H2O3)2,-5.4654543168,-1.3590896452,0.0,-0.054366168,GGA,C2/c,AB4C6_mC44_15_e_2f_3f:Ba-H-O,22.0,AB4C6_mC44_15_e_2f_3f:Ba-H-O +mp-1182360,Ba(H2O3)2,-5.1434632491,-1.0370985775,0.3219910677,0.2676248998,GGA,C2/c,AB4C6_mC44_15_e_2f_3f:Ba-H-O,22.0,AB4C6_mC44_15_e_2f_3f:Ba-H-O +mp-673283,Ba(HO)2,-4.902291068,-1.1827301775,0.8759684685,0.8044918175,GGA,P1,AB2C2_aP40_1_8a_16a_16a:Ba-H-O,40.0,AB2C2_aP40_1_8a_16a_16a:Ba-H-O +mp-627077,Ba(HO)2,-5.7488304777,-2.0292695872,0.0294290588,-0.0420475922,GGA,P1,AB2C2_aP40_1_8a_16a_16a:Ba-H-O,40.0,AB2C2_aP40_1_8a_16a_16a:Ba-H-O +mp-627043,Ba(HO)2,-5.7298754492,-2.0103145587,0.0483840873,-0.0230925637,GGA,P1,AB2C2_aP40_1_8a_16a_16a:Ba-H-O,40.0,AB2C2_aP40_1_8a_16a_16a:Ba-H-O +mp-626973,Ba(HO)2,-5.7782595365,-2.058698646,0.0,-0.071476651,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ba-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:Ba-H-O +mp-626994,Ba(HO)2,-5.7537236315,-2.034162741,0.024535905,-0.046940746,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ba-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:Ba-H-O +mp-627029,Ba(HO)2,-5.7319630073,-2.0124021167,0.0462965293,-0.0251801217,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ba-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:Ba-H-O +mp-626725,Ba(HO)2,-5.754060333,-2.0344994425,0.0241992035,-0.0472774475,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ba-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:Ba-H-O +mp-627023,Ba(HO)2,-5.7407870555,-2.021226165,0.037472481,-0.03400417,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ba-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:Ba-H-O +mp-699501,Ba(HO)2,-5.7658778469000005,-2.0463169564,0.0123816896,-0.0590949614,GGA,P2_1/c,AB2C2_mP100_14_5e_10e_10e:Ba-H-O,100.0,AB2C2_mP100_14_5e_10e_10e:Ba-H-O +mp-723021,Ba(HO)2,-5.7538958705,-2.03433498,0.024363666,-0.047112985,GGA,Pnma,AB2C2_oP100_62_c2d_2c4d_2c4d:Ba-H-O,100.0,AB2C2_oP100_62_c2d_2c4d_2c4d:Ba-H-O +mp-1245838,Pd(CN)2,-7.8439368245,0.2181037045,0.2181037045,0.2181037045,GGA,Cmce,A2B2C_oC40_64_g_g_f:C-N-Pd,20.0,A2B2C_oC40_64_g_g_f:C-N-Pd +mp-1245835,Pd(CN)2,-7.534181999999999,0.5278585290000001,0.5278585290000001,0.5278585290000001,GGA,P4_2/mnm,A2B2C_tP10_136_f_f_a:C-N-Pd,10.0,A2B2C_tP10_136_f_f_a:C-N-Pd +mp-606650,CdPd(CN)6,-7.6441124471,0.3197257011,0.3783093311,0.3783093311,GGA,Fm-3m,A6BC6D_cF56_225_e_a_e_b:C-Cd-N-Pd,14.0,A6BC6D_cF56_225_e_a_e_b:C-Cd-N-Pd +mp-1194477,Pd(CN2)2,-6.3066891318,1.8337669389,1.8337669389,1.8337669389,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:C-N-Pd,28.0,A2B4C_mP28_14_2e_4e_e:C-N-Pd +mp-1245872,PdCN2,-7.51220262,0.2581816681,0.2581816681,0.2581816681,GGA,C2/m,AB2C_mC8_12_a_i_d:C-N-Pd,4.0,AB2C_mC8_12_a_i_c:C-N-Pd +mp-1246976,PdCN2,-7.508755385,0.2616289031,0.2616289031,0.2616289031,GGA,Cmmm,AB2C_oC8_65_a_k_c:C-N-Pd,4.0,AB2C_oC8_65_a_k_c:C-N-Pd +mp-1245403,Pd(C4N3)2,-8.2222756922,0.3796026611,0.3796026611,0.3796026611,GGA,Cm,A8B6C_mC90_8_4a10b_2a8b_ab:C-N-Pd,45.0,"Invalid WP multiplicities - A8B6C_mC90_8_4a18b_2a15b_ab:C-N-Pd, expected Pd3(C5N4)8 to be Pd(C4N3)2" +mp-1210736,LuTl(WO4)2,-8.5418075975,-2.5106939461,0.0,-0.0276745941,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Lu-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Lu-O-Tl-W +mp-650124,K2Rb2Re6S13,-6.8115687361,-1.0453566744,0.0031084957,0.0031084957,GGA,C2/c,A2B2C6D13_mC92_15_f_f_3f_e6f:K-Rb-Re-S,46.0,"Invalid WP multiplicities - A2B2C6D13_mC92_15_f_f_8f_2e22f:K-Rb-Re-S, expected KRbRe8S23 to be K2Rb2Re6S13" +mp-28760,KRbS,-3.2595843892,-1.1837900937,0.0080872775,0.0080872775,GGA,Pnma,ABC_oP12_62_c_c_c:K-Rb-S,12.0,ABC_oP12_62_c_c_c:K-Rb-S +mp-541638,K2(ReS2)3,-6.9154733361,-1.063375277,0.0,-0.113544238,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:K-Re-S,44.0,A2B3C6_mC88_15_2ef_3f_6f:K-Re-S +mp-1193581,Hf3(Ni10B3)2,-6.8519105017,-0.4536121805,0.0398225455,0.0398225455,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Hf-Ni,29.0,A6B3C20_cF116_225_e_ac_fh:B-Hf-Ni +mp-1194313,Hf2(Ni7B2)3,-6.7089849383,-0.454722905,0.0,-0.0798052192,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Hf-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Hf-Ni +mp-558963,HfNi5(BO5)2,-7.8014795335,-2.1523938066,0.0,-0.0029385583,GGA+U,Pnma,A2BC5D10_oP72_62_2c_c_a2cd_6c2d:B-Hf-Ni-O,72.0,"Invalid WP multiplicities - A2BC5D10_oP72_62_2c_c_3a6c3d_22c14d:B-Hf-Ni-O, expected HfNi15(BO25)2 to be HfNi5(BO5)2" +mp-1196921,Mg5Ta(BO4)3,-7.834933452,-3.1083802269,0.0,-0.0043672689,GGA,Pnma,A3B5C12D_oP84_62_cd_c2d_4c4d_c:B-Mg-O-Ta,84.0,A3B5C12D_oP84_62_cd_c2d_4c4d_c:B-Mg-O-Ta +mp-20790,InPS4,-4.8139763333,-0.6955120493,0.0,-0.0225440432,GGA,I-4,ABC4_tI12_82_a_c_g:In-P-S,6.0,ABC4_tI12_82_a_c_g:In-P-S +mp-1105440,TlIn(PS3)2,-4.707525412,-0.6315623029,0.0394446546,0.0394446546,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:In-P-S-Tl,20.0,AB2C6D_mP20_4_a_2a_6a_a:In-P-S-Tl +mp-27753,In2(PS3)3,-4.8905570687,-0.6783196558,0.0,-0.0237480253,GGA,P2_1/c,A2B3C9_mP56_14_2e_3e_9e:In-P-S,56.0,"Invalid WP multiplicities - A2B3C9_mP56_14_2e_4e_10e:In-P-S, expected InP2S5 to be In2(PS3)3" +mp-1246430,Zn3MoN4,-6.359343885,-0.362986305,0.0,-0.1222787921,GGA,Pmn2_1,AB4C3_oP16_31_a_2ab_ab:Mo-N-Zn,16.0,AB4C3_oP16_31_a_2ab_ab:Mo-N-Zn +mp-1190627,Zn5(N2O7)2,-5.0297122239,-0.2950018018,0.9078511634,0.9078511634,GGA,C2/m,A4B14C5_mC46_12_2i_5ij_ahi:N-O-Zn,23.0,A4B14C5_mC46_12_2i_5ij_ahi:N-O-Zn +mp-1191296,Zn5(NO8)2,-5.0479889361,-0.6080442717,0.4063977639,0.4063977639,GGA,C2/m,A2B16C5_mC46_12_i_6ij_ahi:N-O-Zn,23.0,A2B16C5_mC46_12_i_6ij_ahi:N-O-Zn +mp-1215871,Zn2Mo2NO10,-6.3477191373,-0.8801078388,0.7946627163000001,0.7946627163000001,GGA+U,C2/m,A2BC10D2_mC30_12_i_a_3ij_f:Mo-N-O-Zn,15.0,"Invalid WP multiplicities - A2BC10D2_mC30_12_i_a_4i3j_e:Mo-N-O-Zn, expected Zn2Mo2NO20 to be Zn2Mo2NO10" +mp-1245674,ZnMoN2,-7.642882415,-0.4482865225,0.0,-0.0239250429,GGA,P6_3mc,AB2C_hP8_186_b_2b_b:Mo-N-Zn,8.0,"Invalid WP multiplicities - AB2C_hP8_186_b_4b_b:Mo-N-Zn, expected ZnMoN4 to be ZnMoN2" +mp-1190906,Zn(NO4)2,-5.7128970932000005,-0.4850568068,0.3331145336,0.3331145336,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:N-O-Zn,22.0,A2B8C_mP22_14_e_4e_a:N-O-Zn +mp-1180361,Mo3(NO5)2,-7.7852263377,-1.2067711848,0.4023625901,0.4023625901,GGA+U,C2/c,A3B2C10_mC60_15_ef_f_5f:Mo-N-O,30.0,A3B2C10_mC60_15_ef_f_5f:Mo-N-O +mp-1192810,Mo3(NO5)2,-7.2343581127,-0.6559029598,0.9532308151,0.9532308151,GGA+U,C2/c,A3B2C10_mC60_15_ef_f_5f:Mo-N-O,30.0,A3B2C10_mC60_15_ef_f_5f:Mo-N-O +mp-727466,Mo3(NO5)2,-7.2130308032,-0.6345756503000001,0.9745581246,0.9745581246,GGA+U,Pnma,A3B2C10_oP60_62_cd_2c_4c3d:Mo-N-O,60.0,A3B2C10_oP60_62_cd_2c_4c3d:Mo-N-O +mp-1180351,Mo(NO2)2,-6.8718282761000005,-0.1139147325,1.1336277316,1.1336277316,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Mo-N-O,28.0,AB2C4_mP28_14_e_2e_4e:Mo-N-O +mp-1211092,Mo(NO2)2,-7.6444390332,-0.8865254896,0.3610169745,0.3610169745,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Mo-N-O,28.0,AB2C4_mP28_14_e_2e_4e:Mo-N-O +mp-731755,Mo3NO9,-7.8527099454,-1.2839681257,0.4934406484,0.4934406484,GGA+U,C2/m,A3BC9_mC52_12_ij_i_g4i2j:Mo-N-O,26.0,A3BC9_mC52_12_ij_i_g4i2j:Mo-N-O +mp-1180501,Mo3NO9,-8.2917715385,-1.7230297188,0.0543790553,0.0543790553,GGA+U,P-6,A3BC9_hP26_174_jk_g_3j3k:Mo-N-O,26.0,A3BC9_hP26_174_jk_g_3j3k:Mo-N-O +mp-1193311,Mo3NO9,-7.9723119492,-1.4035701295,0.3738386445,0.3738386445,GGA+U,P6_3/m,A3BC9_hP26_176_h_b_3h:Mo-N-O,26.0,A3BC9_hP26_176_h_b_3h:Mo-N-O +mp-1210696,Mo3NO9,-7.9811770442,-1.4124352245,0.3649735495,0.3649735495,GGA+U,P6_3/m,A3BC9_hP26_176_h_a_3h:Mo-N-O,26.0,A3BC9_hP26_176_h_a_3h:Mo-N-O +mp-727168,Zn(N3O8)2,-5.6454935624,0.0251904611,0.7922568571,0.7922568571,GGA,P2_1/c,A6B16C_mP46_14_3e_8e_a:N-O-Zn,46.0,A6B16C_mP46_14_3e_8e_a:N-O-Zn +mp-1197415,Zn(N3O8)2,-5.6355255439,0.0351584796,0.8022248756,0.8022248756,GGA,P2_1/c,A6B16C_mP46_14_3e_8e_a:N-O-Zn,46.0,A6B16C_mP46_14_3e_8e_a:N-O-Zn +mp-1198332,Zn3(NO5)2,-5.5300782528,-0.8688043999999999,0.2089306522,0.2089306522,GGA,P2_1/c,A2B10C3_mP60_14_2e_10e_3e:N-O-Zn,60.0,A2B10C3_mP60_14_2e_10e_3e:N-O-Zn +mp-2458726,Zn2MoN3,-6.7078405458,-0.312070195,0.0793495158,0.0793495158,GGA,Cm,AB3C2_mC24_8_2a_2a2b_2b:Mo-N-Zn,12.0,AB3C2_mC24_8_2a_2a2b_2b:Mo-N-Zn +mp-1029269,Zn2MoN3,-6.6700134033000005,-0.2742430525,0.1171766583,0.1171766583,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Mo-N-Zn,12.0,AB3C2_oC24_36_a_ab_b:Mo-N-Zn +mp-1197468,Zn(NO6)2,-4.9991044098,0.1537621232,0.7537544395,0.7537544395,GGA,Pnma,A2B12C_oP60_62_d_4c4d_c:N-O-Zn,60.0,A2B12C_oP60_62_d_4c4d_c:N-O-Zn +mp-1203927,Mo4N2O15,-7.6176037305,-1.2244646372,0.3898447168,0.3898447168,GGA+U,P-1,A4B2C15_aP42_2_4i_2i_15i:Mo-N-O,42.0,A4B2C15_aP42_2_4i_2i_15i:Mo-N-O +mp-1367720,Mo4N2O15,-4.692168899,1.7009701942,3.3152795482,3.3152795482,GGA+U,P-1,A4B2C15_aP42_2_4i_2i_15i:Mo-N-O,42.0,A4B2C15_aP42_2_4i_2i_15i:Mo-N-O +mp-1180972,Mo5N4O17,-7.5266128137,-0.9239998005,0.636458221,0.636458221,GGA+U,P-1,A5B4C17_aP52_2_5i_4i_17i:Mo-N-O,52.0,A5B4C17_aP52_2_5i_4i_17i:Mo-N-O +mp-1203950,Mo3N2O11,-6.4598583128,0.0166114374,1.5895926365,1.5895926365,GGA+U,P2_1/m,A3B2C11_mP32_11_ef_f_3e4f:Mo-N-O,32.0,A3B2C11_mP32_11_ef_f_3e4f:Mo-N-O +mp-1238416,Mo3N2O11,-6.6783799981000005,-0.2019102479,1.3710709512,1.3710709512,GGA+U,P2_1/m,A3B2C11_mP32_11_ef_f_3e4f:Mo-N-O,32.0,A3B2C11_mP32_11_ef_f_3e4f:Mo-N-O +mp-1182606,Mo8N6O31,-6.8684922499,-0.4211251281,1.1084678814,1.1084678814,GGA+U,P2_1/c,A8B6C31_mP90_14_4e_3e_a15e:Mo-N-O,90.0,A8B6C31_mP90_14_4e_3e_a15e:Mo-N-O +mp-1200325,ZnNO5,-5.4716751741,-0.5674348754,0.3313476435,0.3313476435,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:N-O-Zn,56.0,AB5C_mP56_14_2e_10e_2e:N-O-Zn +mp-1221507,Mo6NO18,-8.092888964,-1.5948572685,0.2536478565,0.2536478565,GGA+U,P3,A6BC18_hP25_143_2d_a_6d:Mo-N-O,25.0,A6BC18_hP25_143_2d_a_6d:Mo-N-O +mp-724470,ZnMo(NO2)4,-4.9933236971,1.0798822393,2.1989313011,2.1989313011,GGA+U,I-4,AB4C8D_tI28_82_a_g_2g_c:Mo-N-O-Zn,14.0,AB4C8D_tI28_82_a_g_2g_c:Mo-N-O-Zn +mp-1198436,Mo(NO4)2,-7.2535075093,-1.1542211775,0.0,-0.0611824621,GGA+U,P2_1/c,AB2C8_mP44_14_e_2e_8e:Mo-N-O,44.0,AB2C8_mP44_14_e_2e_8e:Mo-N-O +mp-1180983,Mo2NO7,-7.7283784747,-1.2629168624,0.3805733313,0.3805733313,GGA+U,P-1,A2BC7_aP40_2_4i_bdi_14i:Mo-N-O,40.0,A2BC7_aP40_2_4i_bdi_14i:Mo-N-O +mp-778973,Zn(NO3)2,-6.2837671332,-0.993448719,0.0065384749,-0.1151829745,GGA,Pca2_1,A2B6C_oP72_29_4a_12a_2a:N-O-Zn,72.0,"Invalid WP multiplicities - A2B6C_oP72_29_13a_45a_5a:N-O-Zn, expected Zn5N13O45 to be Zn(NO3)2" +mp-772617,Zn(NO3)2,-6.2903056081,-0.9999871939,0.0,-0.1217214494,GGA,Pa-3,A2B6C_cP36_205_c_d_a:N-O-Zn,36.0,A2B6C_cP36_205_c_d_a:N-O-Zn +mp-1180397,Mo2N2O7,-7.4342849336,-0.7987293838,0.6953526105000001,0.6953526105000001,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Mo-N-O,22.0,A2B2C7_aP22_2_2i_2i_7i:Mo-N-O +mp-1191629,Mo2N2O7,-7.0654504236,-0.4298948738,1.0641871205,1.0641871205,GGA+U,P-1,A2B2C7_aP22_2_2i_2i_7i:Mo-N-O,22.0,A2B2C7_aP22_2_2i_2i_7i:Mo-N-O +mp-622258,RbV2SbO8,-7.4811096227,-2.2435381942,0.0,-0.0223967826,GGA+U,Pnma,A8BCD2_oP48_62_4c2d_c_c_2c:O-Rb-Sb-V,48.0,"Invalid WP multiplicities - A8BCD2_oP48_62_16c12d_c_c_7c:O-Rb-Sb-V, expected RbV7SbO40 to be RbV2SbO8" +mp-1110922,K3YBr6,-4.051122635,-2.1395388416,0.05442981,0.05442981,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Br-K-Y,10.0,A6B3C_cF40_225_e_ac_b:Br-K-Y +mp-1110898,K2LiYBr6,-4.123224053,-2.1317878676,0.023624169,0.023624169,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Li-Y +mp-989504,Na2LiNF6,-4.252466041,-1.8165318226,0.0,-0.0079374813,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-N-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-N-Na +mp-1206010,K2CeF6,-5.8460013433,-3.6656945818,0.0,-0.1051035726,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Ce-F-K,9.0,AB6C2_hP9_189_a_fg_d:Ce-F-K +mp-504644,KCeF4,-6.3639045096,-3.9156705142,0.0004926171,-0.0648559057,GGA,Pnma,AB4C_oP24_62_c_4c_c:Ce-F-K,24.0,AB4C_oP24_62_c_4c_c:Ce-F-K +mp-1223451,KCeF4,-6.3643971267,-3.9161631313,0.0,-0.0653485228,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-F-K,6.0,AB4C_tP6_123_a_i_d:Ce-F-K +mp-1110674,K2RbCeF6,-5.468080623,-3.4077511304,0.104038548,0.104038548,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Rb +mp-1111110,K2LiScF6,-5.79634795,-3.6032415829,0.0,-0.0120554778,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Sc +mp-1112158,K2YCuCl6,-4.494555265,-2.1067857013,0.0611010198,0.0611010198,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Cu-K-Y +mp-21327,Rb3Ir(NO2)6,-4.8214763041,0.6857632633,1.8743593951,1.8743593951,GGA,Fm-3m,AB6C12D3_cF88_225_a_e_h_bc:Ir-N-O-Rb,22.0,AB6C12D3_cF88_225_a_e_h_bc:Ir-N-O-Rb +mp-1246185,RbIrN2,-6.4396101142,0.1833794114,0.458240361,0.458240361,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ir-N-Rb,64.0,AB2C_oP64_61_2c_4c_2c:Ir-N-Rb +mp-1181246,Ir(N3O4)3,-6.3806588486,0.1296662895,0.7702185043,0.7702185043,GGA,P1,AB9C12_aP22_1_a_9a_12a:Ir-N-O,22.0,AB9C12_aP22_1_a_9a_12a:Ir-N-O +mp-1367097,Ir(N3O4)3,-4.458342735,2.0519824032,2.692534618,2.692534618,GGA,P1,AB9C12_aP22_1_a_9a_12a:Ir-N-O,22.0,AB9C12_aP22_1_a_9a_12a:Ir-N-O +mp-1191949,Ir(N3O4)3,-4.1725185127,2.3378066255,2.9783588402000003,2.9783588402000003,GGA,Fm-3m,AB9C12_cF88_225_a_bce_h:Ir-N-O,22.0,AB9C12_cF88_225_a_bce_h:Ir-N-O +mp-15887,Sr2YIrO6,-7.607969044,-2.7715665972,0.0,-0.1085430091,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ir-O-Sr-Y,20.0,AB6C2D_mP20_14_a_3e_e_b:Ir-O-Sr-Y +mp-1219618,RbH4O3,-4.8885431859,-1.2146051377,0.117205598,0.117205598,GGA,Fdd2,A4B3C_oF128_43_4b_2a2b_b:H-O-Rb,32.0,"Invalid WP multiplicities - A4B3C_oF128_43_16b_4a2b_b:H-O-Rb, expected Rb(H4O)4 to be RbH4O3" +mp-1186888,RbPuO3,-8.99899963,-2.9813119228,0.020919208,0.020919208,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pu-Rb,5.0,A3BC_cP5_221_c_b_a:O-Pu-Rb +mp-757144,Rb2H8O5,-4.9514967508000005,-1.3624087467,0.0581893713,0.0581893713,GGA,Cc,A8B5C2_mC120_9_16a_10a_4a:H-O-Rb,60.0,A8B5C2_mC120_9_32a_20a_8a:H-O-Rb +mp-626721,RbHO,-4.6192349133,-1.5125853037,0.00119634,-0.1645650517,GGA,P2_1,ABC_mP6_4_a_a_a:H-O-Rb,6.0,ABC_mP6_4_a_a_a:H-O-Rb +mp-643043,RbHO,-4.61275193,-1.5061023204,0.0076793233,-0.1580820683,GGA,P2_1/m,ABC_mP6_11_e_e_e:H-O-Rb,6.0,ABC_mP6_11_e_e_e:H-O-Rb +mp-626620,RbHO,-4.6204312533,-1.5137816437,0.0,-0.1657613917,GGA,Cmc2_1,ABC_oC12_36_a_a_a:H-O-Rb,6.0,ABC_oC12_36_a_a_a:H-O-Rb +mp-756182,RbHO,-4.5696243133,-1.4629747037,0.05080694,-0.1149544517,GGA,Pnma,ABC_oP12_62_c_c_c:H-O-Rb,12.0,ABC_oP12_62_c_c_c:H-O-Rb +mp-23679,PuH3,-6.604789485,-0.4932853687,0.0,-0.1279230238,GGA,P6_3/mmc,A3B_hP8_194_bf_c:H-Pu,8.0,"Invalid WP multiplicities - A3B_hP8_194_b2f_c:H-Pu, expected PuH5 to be PuH3" +mp-1186890,Rb3Pu,-3.6027392575,0.6996208794000001,0.6996208794000001,0.6996208794000001,GGA,R-3m,AB3_hR12_166_a_e:Pu-Rb,4.0,AB3_hR12_166_a_e:Pu-Rb +mp-1207217,Rb2PuO4,-7.8694475243,-2.72435305,0.0,-0.2423789029,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:O-Pu-Rb,7.0,A4BC2_tI14_139_ce_a_e:O-Pu-Rb +mp-1197361,Rb3PuH4O7,-6.4064065595,-2.0459288457,0.0,-0.06426503,GGA,P2_1/c,A4B7CD3_mP60_14_4e_7e_e_3e:H-O-Pu-Rb,60.0,A4B7CD3_mP60_14_4e_7e_e_3e:H-O-Pu-Rb +mp-862724,Rb2Pu2O5,-8.99974288,-2.8630552843,0.0217220058,0.0217220058,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Pu-Rb,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_h_ab:O-Pu-Rb, expected Rb2Pu2O9 to be Rb2Pu2O5" +mp-28264,RbH3O2,-4.9639157475,-1.4552341425,0.0,-0.0573163104,GGA,Cmc2_1,A3B2C_oC24_36_ab_2a_a:H-O-Rb,12.0,"Invalid WP multiplicities - A3B2C_oC24_36_ab_4a_a:H-O-Rb, expected RbH3O4 to be RbH3O2" +mp-24720,PuH2,-7.5049132667,-0.4871497933,0.0,-0.04867391,GGA,Fm-3m,A2B_cF12_225_c_a:H-Pu,3.0,A2B_cF12_225_c_a:H-Pu +mp-1224905,Gd7Y5Nb4O28,-10.7533424066,-3.7129397856,0.0049642746,0.0049642746,GGA,P1,A7B4C28D5_aP44_1_7a_4a_28a_5a:Gd-Nb-O-Y,44.0,A7B4C28D5_aP44_1_7a_4a_28a_5a:Gd-Nb-O-Y +mp-752459,Gd5Y3O12,-11.381139295,-3.9241248412,0.000365934,0.000365934,GGA,I2_12_12_1,A5B12C3_oI80_24_a2b2c_6d_ad:Gd-O-Y,40.0,"Invalid WP multiplicities - A5B12C3_oI80_24_a4b4c_14d_a2d:Gd-O-Y, expected Gd9Y5O28 to be Gd5Y3O12" +mp-5387,YNbO4,-9.6105489383,-3.5514604386,0.0,-0.1261091336,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Y,12.0,AB4C_mC24_15_e_2f_e:Nb-O-Y +mp-1095229,YNbO4,-9.6087107458,-3.5496222461,0.0018381925,-0.1242709411,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Nb-O-Y,12.0,AB4C_tI24_88_a_f_b:Nb-O-Y +mp-755650,Gd3YO6,-11.662564816,-3.8250678059,0.0899844337,0.0899844337,GGA,Cmc2_1,A3B6C_oC40_36_ab_2a2b_a:Gd-O-Y,20.0,"Invalid WP multiplicities - A3B6C_oC40_36_a2b_3a4b_a:Gd-O-Y, expected Gd5YO11 to be Gd3YO6" +mp-752434,Gd3YO6,-11.7359167355,-3.8984197254,0.0166325142,0.0166325142,GGA,R-3,A3B6C_hR60_148_f_2f_ab:Gd-O-Y,20.0,"Invalid WP multiplicities - A3B6C_hR60_148_f_7f_ab:Gd-O-Y, expected Gd3YO21 to be Gd3YO6" +mp-754480,GdYO2,-10.8182087025,-3.2092160085,0.0847893101,0.0847893101,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Gd-O-Y,8.0,AB2C_hP8_194_c_f_a:Gd-O-Y +mp-1207699,YNbO2,-9.0421229506,-2.4268345567000003,0.6275418713,0.6275418713,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Nb-O-Y,16.0,AB2C_tI32_141_c_h_d:Nb-O-Y +mp-766237,Gd3Y13O24,-10.0819202695,-3.9565947629,0.0009308872,0.0009308872,GGA,P1,A3B24C13_aP40_1_3a_24a_13a:Gd-O-Y,40.0,A3B24C13_aP40_1_3a_24a_13a:Gd-O-Y +mp-1224723,Gd3Y13O24,-10.0819311245,-3.9566056179,0.0009200322,0.0009200322,GGA,C2,A3B24C13_mC80_5_ac_12c_a2b5c:Gd-O-Y,40.0,"Invalid WP multiplicities - A3B24C13_mC80_5_ac_18c_a2b7c:Gd-O-Y, expected Gd3Y17O36 to be Gd3Y13O24" +mp-676261,Y3NbO7,-9.3252965241,-3.4955202187,0.2469506812,0.2469506812,GGA,Cm,AB7C3_mC44_8_b_2a6b_2a2b:Nb-O-Y,22.0,"Invalid WP multiplicities - AB7C3_oC44_39_a_2c10d_cd:Nb-O-Y, expected Y3NbO22 to be Y3NbO7" +mp-1101623,Y3NbO7,-9.3179321141,-3.4881558088,0.2543150912,0.2543150912,GGA,Cmme,AB7C3_oC44_67_a_gmo_em:Nb-O-Y,22.0,"Invalid WP multiplicities - AB7C3_oC44_67_a_2g3m4o_em:Nb-O-Y, expected Y3NbO24 to be Y3NbO7" +mp-757331,Gd3Y5O12,-10.6385936495,-3.9425443084,0.0008235382,0.0008235382,GGA,P1,A3B12C5_aP40_1_6a_24a_10a:Gd-O-Y,40.0,A3B12C5_aP40_1_6a_24a_10a:Gd-O-Y +mp-1223730,KFe2F6,-5.9975140816,-2.7175901736,0.0416203532,0.0416203532,GGA+U,P4/m,A6B2C_tP45_83_e2j5k_f2k_aj:F-Fe-K,45.0,"Invalid WP multiplicities - A6B2C_tP45_83_e4j9k_f4k_aj:F-Fe-K, expected K5Fe18F54 to be KFe2F6" +mp-556891,KFeF3,-5.572443112,-2.5094717001,0.220190679,0.220190679,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:F-Fe-K,5.0,A3BC_cP5_221_c_b_a:F-Fe-K +mp-1201518,K3Fe5F15,-5.9802038111,-2.7474434892,0.0208664348,0.0208664348,GGA+U,Pba2,A15B5C3_oP46_32_a7c_a2c_bc:F-Fe-K,46.0,A15B5C3_oP46_32_a7c_a2c_bc:F-Fe-K +mp-21676,K3Fe5F15,-5.9636979546,-2.7309376327,0.0373722913,0.0373722913,GGA+U,P4/mbm,A15B5C3_tP46_127_cg2ij_di_bh:F-Fe-K,46.0,"Invalid WP multiplicities - A15B5C3_tP46_127_cg2i2j_di_bh:F-Fe-K, expected K3Fe5F19 to be K3Fe5F15" +mp-555631,KFeF4,-5.7137933196,-2.8427373151,0.0,-0.0227470537,GGA+U,Pnma,A4BC_oP48_62_2c3d_d_2c:F-Fe-K,48.0,"Invalid WP multiplicities - A4BC_oP48_62_6c19d_d_4c:F-Fe-K, expected K2FeF22 to be KFeF4" +mp-558155,KFeF4,-5.7134094008,-2.8423533963,0.0003839187,-0.0223631349,GGA+U,Cmcm,A4BC_oC24_63_acf_b_c:F-Fe-K,12.0,A4BC_oC24_63_acf_b_c:F-Fe-K +mp-1111491,K3FeF6,-5.243328558,-2.9163193724000003,0.0,-0.0006060867,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Fe-K,10.0,A6BC3_cF40_225_e_a_bc:F-Fe-K +mp-1111373,K2TlFeF6,-5.132350079,-2.6801164734,0.041774391,0.041774391,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Tl +mp-1205367,K2FeF5,-5.4416150144,-2.9105882717,7.320470000000001e-05,-0.0218621708,GGA+U,C2/m,A5BC2_mC32_12_e2ij_i_2i:F-Fe-K,16.0,A5BC2_mC32_12_e2ij_i_2i:F-Fe-K +mp-554621,K2FeF5,-5.3351255423,-2.8040987996,0.1065626768,0.0846273013,GGA+U,Pna2_1,A5BC2_oP128_33_20a_4a_8a:F-Fe-K,128.0,"Invalid WP multiplicities - A5BC2_oP128_33_77a_15a_29a:F-Fe-K, expected K29Fe15F77 to be K2FeF5" +mp-555579,K2FeF5,-5.4416882191,-2.9106614764,0.0,-0.0219353755,GGA+U,Pbam,A5BC2_oP64_55_2g2h3i_gh_2g2h:F-Fe-K,64.0,"Invalid WP multiplicities - A5BC2_oP64_55_7g8h22i_3g3h_6g8h:F-Fe-K, expected K14Fe6F59 to be K2FeF5" +mp-28640,K2FeF5,-5.4400611076,-2.9090343649,0.0016271115,-0.020308264,GGA+U,Pbcn,A5BC2_oP128_60_ac9d_2d_2c3d:F-Fe-K,128.0,A5BC2_oP128_60_ac9d_2d_2c3d:F-Fe-K +mp-1204916,K2FeF5,-5.4402107025,-2.9091839598,0.0014775166,-0.0204578589,GGA+U,Pnma,A5BC2_oP32_62_a2cd_c_2c:F-Fe-K,32.0,A5BC2_oP32_62_a2cd_c_2c:F-Fe-K +mp-1204955,K3Fe6F19,-5.9726192115,-2.7415683371,0.0183175449,0.0183175449,GGA+U,Cmcm,A19B6C3_oC224_63_2c5fg6h_dg2h_2c2f:F-Fe-K,112.0,A19B6C3_oC224_63_2c5fg6h_dg2h_2c2f:F-Fe-K +mp-690534,K3FeF3,-4.46384809,-1.9587545252,0.55774878,0.55774878,GGA+U,P1,A3BC3_aP14_1_6a_2a_6a:F-Fe-K,14.0,A3BC3_aP14_1_6a_2a_6a:F-Fe-K +mp-1112181,K2InSbF6,-4.642525087,-2.5854894201,0.1809023241,0.1809023241,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Sb +mp-558423,Sm4I6O,-4.6427599991,-1.673557149,0.2064096555,0.2064096555,GGA,P6_3mc,A6BC4_hP22_186_2c_b_bc:I-O-Sm,22.0,"Invalid WP multiplicities - A6BC4_hP22_186_6c_b_2b3c:I-O-Sm, expected Sm11I18O to be Sm4I6O" +mp-558007,Sm(IO3)3,-5.6133725683,-1.4857661386,0.0,-0.1195259622,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Sm,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_8e_32e_e:I-O-Sm, expected Sm(IO4)8 to be Sm(IO3)3" +mp-552292,SmBi2IO4,-6.5241802288,-2.31671953,0.0,-0.0627075088,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Sm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Sm +mp-1206705,Sm2I2O,-4.65048223,-1.1843634937,1.119470364,1.119470364,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-Sm,5.0,A2BC2_tP5_123_g_a_g:I-O-Sm +mp-553121,Sm2IO2,-7.197886463,-3.0371032545,0.0962792731,0.0962792731,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:I-O-Sm,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_4i:I-O-Sm, expected Sm4IO4 to be Sm2IO2" +mp-1203579,SmIO9,-5.1578539402,-0.5476584051,0.6229033833000001,0.6229033833000001,GGA,P2_1/c,AB9C_mP44_14_e_9e_e:I-O-Sm,44.0,AB9C_mP44_14_e_9e_e:I-O-Sm +mp-726905,SmI3O10,-5.4417825986,-1.2556702916,0.1239696942,0.1239696942,GGA,P2_1,A3B10C_mP28_4_3a_10a_a:I-O-Sm,28.0,A3B10C_mP28_4_3a_10a_a:I-O-Sm +mp-754217,SmIO,-6.789231365,-3.0763509662,0.0,-0.1670255899,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-O-Sm,6.0,ABC_tP6_129_c_a_c:I-O-Sm +mp-754960,SmIO,-6.7121011017,-2.9992207029,0.0771302633,-0.0898953265,GGA,R-3m,ABC_hR18_166_c_c_c:I-O-Sm,6.0,ABC_hR18_166_c_c_c:I-O-Sm +mp-29036,Ba(YS2)2,-6.9132433493,-2.4278552587,0.0,-0.0649581429,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ba-S-Y,28.0,AB4C2_oP28_62_c_4c_2c:Ba-S-Y +mp-1104423,Ba2YAg5S6,-4.7685259607,-1.2481045171,0.0,-0.019954385,GGA,C2/m,A5B2C6D_mC28_12_a2i_i_3i_d:Ag-Ba-S-Y,14.0,A5B2C6D_mC28_12_a2i_i_3i_c:Ag-Ba-S-Y +mp-1207671,YAgS2,-5.9645700259000005,-1.5715883133,0.0,-0.0012385734,GGA,P2_1,AB2C_mP32_4_4a_8a_4a:Ag-S-Y,32.0,AB2C_mP32_4_4a_8a_4a:Ag-S-Y +mp-1096795,YAgS2,-5.9495828125,-1.5566010999,0.0149872134,0.01374864,GGA,R3m,AB2C_hR12_160_a_2a_a:Ag-S-Y,4.0,AB2C_hR12_160_a_2a_a:Ag-S-Y +mp-17774,K2Li3GaO4,-5.133145,-2.0569032638,0.0,-0.0203153167,GGA,P2_1/c,AB2C3D4_mP40_14_e_2e_3e_4e:Ga-K-Li-O,40.0,AB2C3D4_mP40_14_e_2e_3e_4e:Ga-K-Li-O +mp-1191803,Ag5TePO4,-5.0108457373,-1.1466508953,0.0049151127,0.0049151127,GGA,P4/nmm,A5B4CD_tP22_129_cj_i_a_c:Ag-O-P-Te,22.0,A5B4CD_tP22_129_cj_i_a_c:Ag-O-P-Te +mp-776406,TePO5,-6.7253505439,-1.9696288359,0.0124321842,0.0124321842,GGA,Pnma,A5BC_oP28_62_3cd_c_c:O-P-Te,28.0,"Invalid WP multiplicities - A5BC_oP28_62_9c4d_c_c:O-P-Te, expected TePO17 to be TePO5" +mp-29215,Te4P2O13,-6.5465655897,-1.9304191775,0.0,-0.0020743023,GGA,P2_1/c,A13B2C4_mP76_14_13e_2e_4e:O-P-Te,76.0,"Invalid WP multiplicities - A13B2C4_mP76_14_16e_2e_4e:O-P-Te, expected Te2PO8 to be Te4P2O13" +mp-766504,Te2(PO4)3,-6.9493837532,-2.1325141155,0.0,-0.0040032018,GGA,R-3,A12B3C2_hR102_148_4f_f_2c:O-P-Te,34.0,"Invalid WP multiplicities - A12B3C2_hR102_148_17f_f_2c:O-P-Te, expected Te2(PO17)3 to be Te2(PO4)3" +mp-1193939,Te2P2O9,-6.8631477338,-2.1221157953,0.0,-0.0353931991,GGA,Cc,A9B2C2_mC52_9_9a_2a_2a:O-P-Te,26.0,A9B2C2_mC52_9_9a_2a_2a:O-P-Te +mp-1182984,Ag4Te(PO7)2,-5.7366461536,-1.2340853499,0.0630832403,0.0630832403,GGA,P2_1/c,A4B14C2D_mP42_14_2e_7e_e_a:Ag-O-P-Te,42.0,A4B14C2D_mP42_14_2e_7e_e_a:Ag-O-P-Te +mp-3764,Te3P2O11,-6.6763749131,-2.0094937558,0.0,-0.0011978273,GGA,P2_1/c,A11B2C3_mP64_14_11e_2e_3e:O-P-Te,64.0,"Invalid WP multiplicities - A11B2C3_mP64_14_14e_2e_3e:O-P-Te, expected Te3(PO7)2 to be Te3P2O11" +mp-1215032,Ag3Te(PO7)2,-5.6269100902,-1.0408490465,0.2737386832,0.2737386832,GGA,P6_322,A3B14C2D_hP40_182_h_f2i_f_b:Ag-O-P-Te,40.0,A3B14C2D_hP40_182_h_f2i_f_b:Ag-O-P-Te +mp-728394,Te2PO7,-6.4187030657,-1.7860295385,0.090092539,0.090092539,GGA,Pca2_1,A7BC2_oP40_29_7a_a_2a:O-P-Te,40.0,A7BC2_oP40_29_7a_a_2a:O-P-Te +mp-13960,Sr3Er2(BO3)4,-8.1483015392,-3.3729801297,0.0264944327,0.0264944327,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Er-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Er-O-Sr +mp-30977,B5H6Br,-4.8873781239,-0.2785161693,0.0,-0.0008550542,GGA,P2_1/c,A5BC6_mP96_14_10e_2e_12e:B-Br-H,96.0,"Invalid WP multiplicities - A5BC6_mP96_14_12e_2e_14e:B-Br-H, expected B6H7Br to be B5H6Br" +mp-1197561,B10H13Br,-4.9182588809,-0.232742855,0.00012918,0.00012918,GGA,P2_1/c,A10BC13_mP96_14_10e_e_13e:B-Br-H,96.0,A10BC13_mP96_14_10e_e_13e:B-Br-H +mp-24796,Rb3B12H12Br,-4.9741103589,-0.4969659183,0.0800714193,0.0800714193,GGA,R-3m,A12BC12D3_hR84_166_2h_a_2h_d:B-Br-H-Rb,28.0,"Invalid WP multiplicities - A12BC12D3_hR84_166_3h_a_3h_d:B-Br-H-Rb, expected Rb3B18H18Br to be Rb3B12H12Br" +mp-12295,Sr3La2(BO3)4,-8.184604458,-3.3742079728,0.0033127454,0.0033127454,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-La-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-La-O-Sr +mp-1218188,SrLaB12,-6.70651607,-0.5080730837,0.0,-0.0017700036,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-La-Sr,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-La-Sr, expected SrLaB32 to be SrLaB12" +mp-4104,HoPO4,-8.47353458,-3.5097902097,0.0,-0.1585262821,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Ho-O-P,12.0,AB4C_tI24_141_a_h_b:Ho-O-P +mp-779147,Ho2P4O13,-8.1572409841,-3.150663036,0.0242949859,0.0242949859,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Ho-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:Ho-O-P, expected Ho7(P5O17)3 to be Ho2P4O13" +mp-779737,Ho2P4O13,-8.1636094946,-3.1570315466,0.0179264754,0.0179264754,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Ho-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Ho-O-P, expected HoP5O17 to be Ho2P4O13" +mp-779522,Ho2P4O13,-8.1434661618,-3.1368882138,0.0380698081,0.0380698081,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Ho-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e23f_3f:Ho-O-P, expected Ho(PO8)3 to be Ho2P4O13" +mp-779637,Ho2P4O13,-8.1780610516,-3.1714831035,0.0034749184,0.0034749184,GGA,C222_1,A2B13C4_oC76_20_c_a6c_2c:Ho-O-P,38.0,"Invalid WP multiplicities - A2B13C4_oC76_20_c_2a11c_3c:Ho-O-P, expected Ho(PO4)3 to be Ho2P4O13" +mp-1213237,HoZr6(PO4)9,-8.6773880674,-3.2414432825,0.0081070085,0.0081070085,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Ho-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Ho-O-P-Zr +mp-1202425,Ho(PO3)3,-8.0467673807,-3.0204200891,0.0,-0.0222447562,GGA,P2_1/c,AB9C3_mP156_14_ab2e_27e_9e:Ho-O-P,156.0,AB9C3_mP156_14_ab2e_27e_9e:Ho-O-P +mp-1213093,Ho(PO)2,-6.6032911695,-1.5428129083000002,0.9133091656,0.9133091656,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Ho-O-P,20.0,AB2C2_tI40_141_c_h_h:Ho-O-P +mp-12237,HoP5O14,-7.8786611188,-2.8335329507,0.0,-0.0163408395,GGA,C2/c,AB14C5_mC160_15_2e_14f_5f:Ho-O-P,80.0,"Invalid WP multiplicities - AB14C5_mC160_15_2e_17f_5f:Ho-O-P, expected HoP5O17 to be HoP5O14" +mp-14155,HoP5O14,-7.8699657667,-2.8248375987000003,0.008695352,-0.0076454875,GGA,Pnma,AB14C5_oP80_62_c_2c6d_c2d:Ho-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_62_c_2c9d_c2d:Ho-O-P, expected Ho(PO4)5 to be HoP5O14" +mp-21903,KEuGeS4,-6.01831904,-1.3702864586,0.0264711398,0.0264711398,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Eu-Ge-K-S,14.0,ABCD4_mP14_4_a_a_a_4a:Eu-Ge-K-S +mp-1194436,KCu2BiS3,-4.3524447596,-0.7012088999999999,0.0328202137,0.0328202137,GGA,P-1,AB2CD3_aP28_2_2i_4i_2i_6i:Bi-Cu-K-S,28.0,AB2CD3_aP28_2_2i_4i_2i_6i:Bi-Cu-K-S +mp-558063,KCu(BiS2)2,-4.4828818462,-0.8033339282,0.0,-0.001442611,GGA,Cmc2_1,A2BCD4_oC32_36_2a_a_a_4a:Bi-Cu-K-S,16.0,"Invalid WP multiplicities - A2BCD4_oC32_36_2a_a_a_7a:Bi-Cu-K-S, expected KCuBi2S7 to be KCu(BiS2)2" +mp-556522,K3Cu2(BiS2)5,-4.459205406,-0.854377681,0.0,-0.000581072,GGA,Pnnm,A5B2C3D10_oP40_58_a2g_g_cg_5g:Bi-Cu-K-S,40.0,"Invalid WP multiplicities - A5B2C3D10_oP40_58_2a6g_g_cg_19g:Bi-Cu-K-S, expected K3Cu2(Bi7S19)2 to be K3Cu2(BiS2)5" +mp-1233911,CaCo6(OF5)2,-6.0119665595,-2.1349310991,0.2878328034,0.2878328034,GGA+U,P1,AB6C10D2_aP19_1_a_6a_10a_2a:Ca-Co-F-O,19.0,AB6C10D2_aP19_1_a_6a_10a_2a:Ca-Co-F-O +mp-1234115,CaCo6(OF5)2,-6.0945537011,-2.2175182407,0.2052456618,0.2052456618,GGA+U,P1,AB6C10D2_aP19_1_a_6a_10a_2a:Ca-Co-F-O,19.0,AB6C10D2_aP19_1_a_6a_10a_2a:Ca-Co-F-O +mp-1234346,CaCo6(OF5)2,-6.0095264847,-2.1324910243,0.2902728782,0.2902728782,GGA+U,Cm,AB6C10D2_mC38_8_a_6a_4a3b_2a:Ca-Co-F-O,19.0,"Invalid WP multiplicities - AB6C10D2_mC38_8_a_6a_4a6b_2a:Ca-Co-F-O, expected CaCo6(OF8)2 to be CaCo6(OF5)2" +mp-1234680,CaCo6(OF5)2,-6.0689981574,-2.191962697,0.2308012055,0.2308012055,GGA+U,Cm,AB6C10D2_mC38_8_a_6a_4a3b_2a:Ca-Co-F-O,19.0,"Invalid WP multiplicities - AB6C10D2_mC38_8_a_6a_4a6b_2a:Ca-Co-F-O, expected CaCo6(OF8)2 to be CaCo6(OF5)2" +mp-1182450,Ba(SO4)2,-6.0805762586,-1.5564504074,0.521374376,0.521374376,GGA,C2/c,AB8C2_mC44_15_e_4f_f:Ba-O-S,22.0,AB8C2_mC44_15_e_4f_f:Ba-O-S +mp-1198200,Ba(SO4)5,-6.1127079507,-1.4382849315,0.1918853036,0.1918853036,GGA,P2_12_12_1,AB20C5_oP104_19_a_20a_5a:Ba-O-S,104.0,AB20C5_oP104_19_a_20a_5a:Ba-O-S +mp-768307,BaSO3,-6.779983659,-2.6008854709,0.0694253275,0.0694253275,GGA,P2_1/m,AB3C_mP10_11_e_ef_e:Ba-O-S,10.0,"Invalid WP multiplicities - AB3C_mP10_11_e_2ef_e:Ba-O-S, expected BaSO4 to be BaSO3" +mp-1193342,BaRe3S4O7,-6.856264875,-0.8279197456,1.1073186801,1.1073186801,GGA,P-1,AB7C3D4_aP30_2_i_7i_3i_4i:Ba-O-Re-S,30.0,AB7C3D4_aP30_2_i_7i_3i_4i:Ba-O-Re-S +mp-1019557,BaS4O13,-6.6023622439,-2.0039329298,0.0,-0.0489544472,GGA,C2/c,AB13C4_mC72_15_e_e6f_2f:Ba-O-S,36.0,AB13C4_mC72_15_e_e6f_2f:Ba-O-S +mp-14406,Ba2Re6S11,-7.6986139392,-1.1719791221,0.0,-0.0391214484,GGA,R-3c,A2B6C11_hR114_167_c_f_cef:Ba-Re-S,38.0,A2B6C11_hR114_167_c_f_cef:Ba-Re-S +mp-1200730,Ba(SO2)2,-6.2850247662,-2.0023634064,0.3188812447,0.3188812447,GGA,Pbcn,AB4C2_oP56_60_d_4d_2d:Ba-O-S,56.0,AB4C2_oP56_60_d_4d_2d:Ba-O-S +mp-760205,Ba16S16O59,-6.9432258418,-2.671341986,0.0263899711,0.0263899711,GGA,P1,A16B59C16_aP91_1_16a_59a_16a:Ba-O-S,91.0,A16B59C16_aP91_1_16a_59a_16a:Ba-O-S +mp-1194419,BaS5O8,-5.5893704064000005,-1.1483179804,0.665037726,0.665037726,GGA,P-1,AB8C5_aP28_2_i_8i_5i:Ba-O-S,28.0,AB8C5_aP28_2_i_8i_5i:Ba-O-S +mp-1203332,BaS5O8,-5.522971368,-1.081918942,0.7314367644,0.7314367644,GGA,Pnma,AB8C5_oP56_62_c_2c3d_c2d:Ba-O-S,56.0,AB8C5_oP56_62_c_2c3d_c2d:Ba-O-S +mp-1182185,BaS4O,-4.8716625117,-0.9697519919,0.4247794155,0.4247794155,GGA,P2_12_12,ABC4_oP24_18_c_ab_4c:Ba-O-S,24.0,ABC4_oP24_18_c_ab_4c:Ba-O-S +mp-1197994,Ba(SO2)4,-6.0056498058,-1.5411664137,0.4116781932,0.4116781932,GGA,P2_1/c,AB8C4_mP52_14_e_8e_4e:Ba-O-S,52.0,AB8C4_mP52_14_e_8e_4e:Ba-O-S +mp-1214984,Ba(SO2)4,-5.9694621612,-1.504978769,0.4478658378,0.4478658378,GGA,Pnma,AB8C4_oP52_62_c_2c3d_2d:Ba-O-S,52.0,AB8C4_oP52_62_c_2c3d_2d:Ba-O-S +mp-696582,BaSO2,-6.1109799119,-2.1237793545,0.4898195019,0.4898195019,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-O-S,16.0,AB2C_oP16_62_c_2c_c:Ba-O-S +mp-1190568,BaSO4,-6.9677374921,-2.6607075501,0.0474112096,-0.1284979592,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:Ba-O-S,24.0,AB4C_oP24_19_a_4a_a:Ba-O-S +mp-3164,BaSO4,-7.0151487017,-2.7081187597,0.0,-0.1759091688,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ba-O-S,24.0,AB4C_oP24_62_c_2cd_c:Ba-O-S +mp-3307,BaSO4,-6.8830157483,-2.5759858064,0.1321329533,-0.0437762155,GGA,F-43m,AB4C_cF24_216_a_e_b:Ba-O-S,6.0,AB4C_cF24_216_a_e_b:Ba-O-S +mp-540569,CsCr5S8,-6.9630877579,-1.0879278538,0.0,-0.0544005285,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Cs-S,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-Cs-S +mp-1021518,CsCr5S8,-6.9228386529,-1.0476787488,0.040249105,-0.0141514235,GGA,C2/m,A5BC8_mC28_12_a2i_c_4i:Cr-Cs-S,14.0,A5BC8_mC28_12_a2i_d_4i:Cr-Cs-S +mp-1238845,Cs(CrS2)2,-6.3422777214,-1.0926638958,0.0277753082,0.0036349689,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Cs-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Cs-S +mp-1238823,Cs(CrS2)2,-6.3700530296,-1.120439204,0.0,-0.0241403394,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Cs-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Cs-S +mp-1239191,Cs(CrS2)2,-6.2019806032,-0.9523667776,0.1680724264,0.1439320871,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Cs-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Cs-S +mp-1238886,Cs(CrS2)2,-5.9910057093,-0.7413918836000001,0.3790473204,0.354906981,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Cs-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Cs-S +mp-768680,CrP2S7,-5.574856272,-0.6313761169000001,0.0062126032,0.0062126032,GGA,C2,AB2C7_mC20_5_a_c_a3c:Cr-P-S,10.0,"Invalid WP multiplicities - AB2C7_mC20_5_a_c_a6c:Cr-P-S, expected CrP2S13 to be CrP2S7" +mp-1103473,CsCrP2S7,-5.4686487827,-0.8931756988,0.0,-0.0446053295,GGA,C2,ABC2D7_mC22_5_a_b_c_a3c:Cr-Cs-P-S,11.0,ABC2D7_mC22_5_a_b_c_a3c:Cr-Cs-P-S +mp-542096,CrPS4,-5.8580193608,-0.5893277868,0.1288757801,0.1288757801,GGA,C2/m,ABC4_mC24_12_g_i_2ij:Cr-P-S,12.0,ABC4_mC24_12_g_i_2ij:Cr-P-S +mp-675980,Cr(PS3)3,-5.2957037465,-0.4402419164,0.1708591631,0.1708591631,GGA,P1,AB3C9_aP52_1_4a_12a_36a:Cr-P-S,52.0,AB3C9_aP52_1_4a_12a_36a:Cr-P-S +mp-778446,Cr2(PS4)3,-5.5654911407,-0.5547028547,0.102796291,0.102796291,GGA,P2_1/c,A2B3C12_mP68_14_2e_3e_12e:Cr-P-S,68.0,"Invalid WP multiplicities - A2B3C12_mP68_14_5e_9e_45e:Cr-P-S, expected Cr5(PS5)9 to be Cr2(PS4)3" +mp-4805,Gd2SO2,-11.956347522,-3.5199331681,0.0,-0.100674774,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Gd-O-S,5.0,A2B2C_hP5_164_d_d_a:Gd-O-S +mp-510057,Gd3NbS3O4,-10.7081159641,-3.0239544909,0.0132261827,0.0132261827,GGA,Pna2_1,A3BC4D3_oP44_33_3a_a_4a_3a:Gd-Nb-O-S,44.0,A3BC4D3_oP44_33_3a_a_4a_3a:Gd-Nb-O-S +mp-1202537,Nb8S8O45,-7.8010418046,-2.2845986692,0.0039012586,0.0039012586,GGA,R-3,A8B45C8_hR183_148_cf_ac7f_cf:Nb-O-S,61.0,A8B45C8_hR183_148_cf_ac7f_cf:Nb-O-S +mp-1181523,Gd2(SO4)3,-7.5119912629,-1.6342348738,0.6258695950000001,0.6258695950000001,GGA,P1,A2B12C3_aP17_1_2a_12a_3a:Gd-O-S,17.0,A2B12C3_aP17_1_2a_12a_3a:Gd-O-S +mp-1188270,Gd2(SO4)3,-7.5647159229,-1.6869595338,0.5731449350000001,0.5731449350000001,GGA,P1,A2B12C3_aP17_1_2a_12a_3a:Gd-O-S,17.0,A2B12C3_aP17_1_2a_12a_3a:Gd-O-S +mp-760091,Nb(SO4)2,-7.293545458,-2.0255714158,0.078777235,0.078777235,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:Nb-O-S,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_29c_5c:Nb-O-S, expected NbS5O29 to be Nb(SO4)2" +mp-727793,Gd(SO4)3,-7.2653233478,-1.8999648243,0.0,-0.1073811963,GGA,Pbca,AB12C3_oP128_61_c_12c_3c:Gd-O-S,128.0,AB12C3_oP128_61_c_12c_3c:Gd-O-S +mp-1203143,Nb2S3O14,-7.5574809626,-2.196133508,0.0,-0.053099921,GGA,Pna2_1,A2B14C3_oP76_33_2a_14a_3a:Nb-O-S,76.0,A2B14C3_oP76_33_2a_14a_3a:Nb-O-S +mp-1201421,Gd2Nb2S7O30,-7.7619085435,-2.2567703736,0.0,-0.1184822983,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Gd-Nb-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Gd-Nb-O-S +mp-556437,Gd10S14O,-10.6240993172,-2.4793709473,0.0159440325,0.0159440325,GGA,I4_1/acd,A10BC14_tI200_142_f2g_a_e3g:Gd-O-S,100.0,"Invalid WP multiplicities - A10BC14_tI200_142_7f20g_a_8e35g:Gd-O-S, expected Gd94S156O to be Gd10S14O" +mp-1202688,Gd2S3O20,-7.019434399,-1.4396196668,0.1659753376,0.1659753376,GGA,C2/c,A2B20C3_mC100_15_f_10f_ef:Gd-O-S,50.0,A2B20C3_mC100_15_f_10f_ef:Gd-O-S +mp-561849,Gd2S2O,-11.216708205,-2.94234162,0.0083592213,0.0083592213,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Gd-O-S,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_4e_e_5e:Gd-O-S, expected Gd4S5O to be Gd2S2O" +mp-1191408,HoCO4,-8.0881610042,-2.4885228029,0.0776621042,0.0776621042,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-Ho-O,24.0,ABC4_oP24_19_a_a_4a:C-Ho-O +mp-1200004,HoCO4,-8.1295806179,-2.5299424166,0.0362424905,0.0362424905,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Ho-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Ho-O +mp-1209156,SbC2O5,-7.4002435241,-1.4852715514,0.2241731782,0.2241731782,GGA,Pnma,A2B5C_oP32_62_d_c2d_c:C-O-Sb,32.0,A2B5C_oP32_62_d_c2d_c:C-O-Sb +mp-1179638,Sb2C4O,-6.4703842011,0.6895233934,1.1067855073,1.1067855073,GGA,P2_12_12_1,A4BC2_oP28_19_4a_a_2a:C-O-Sb,28.0,A4BC2_oP28_19_4a_a_2a:C-O-Sb +mp-1193068,Sb2C4O,-6.5472154971,0.6126920973000001,1.0299542112,1.0299542112,GGA,P2_12_12_1,A4BC2_oP28_19_4a_a_2a:C-O-Sb,28.0,A4BC2_oP28_19_4a_a_2a:C-O-Sb +mp-1195820,Ho9Sb5CO4,-6.8918094779,-2.1074880901,0.0,-0.0192452129,GGA,P4/n,AB9C4D5_tP38_85_c_c2g_g_cg:C-Ho-O-Sb,38.0,AB9C4D5_tP38_85_c_c2g_g_cg:C-Ho-O-Sb +mp-1212564,Sm2(N4O9)3,-6.6981882699,-0.7704881095,0.3683020254,0.3683020254,GGA,P4_132,A12B27C2_cP164_213_2de_d4e_c:N-O-Sm,164.0,A12B27C2_cP164_213_2de_d4e_c:N-O-Sm +mp-676556,Sm2Zr8O19,-9.6308037393,-3.7064636419,0.1239477464,0.1239477464,GGA,Pmm2,A19B2C8_oP29_25_10a9d_bc_4b4c:O-Sm-Zr,29.0,A19B2C8_oP29_25_10a9d_bc_4b4c:O-Sm-Zr +mp-1173100,Sm2Zr8O19,-9.6414020569,-3.7170619595,0.1133494288,0.1133494288,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Sm-Zr,29.0,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Sm-Zr, expected Sm2Zr14O35 to be Sm2Zr8O19" +mp-1105145,SmNO5,-7.0247528207,-1.6263921612,0.1841154796,0.1841154796,GGA,P2_1,AB5C_mP14_4_a_5a_a:N-O-Sm,14.0,AB5C_mP14_4_a_5a_a:N-O-Sm +mp-1173349,Sm4ZrO8,-8.8362055792,-3.6827013592,0.1773863638,0.1773863638,GGA,Immm,A8B4C_oI26_71_4f_2e_a:O-Sm-Zr,13.0,"Invalid WP multiplicities - A8B4C_oI26_71_7f_4e_a:O-Sm-Zr, expected Sm8ZrO14 to be Sm4ZrO8" +mp-1219036,SmZrNO2,-9.323244858,-3.0240130355,0.0767032837,0.0767032837,GGA,Pnma,AB2CD_oP20_62_c_d_c_a:N-O-Sm-Zr,20.0,AB2CD_oP20_62_c_d_c_a:N-O-Sm-Zr +mp-772758,Sm2Zr2O7,-9.3948179166,-3.8348729612,0.0216309611,0.001524759,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Sm-Zr,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:O-Sm-Zr, expected Sm7Zr7O27 to be Sm2Zr2O7" +mp-530294,Sm2Zr2O7,-9.4010257405,-3.8410807851,0.0154231373,-0.0046830649,GGA,C2/m,A7B2C2_mC176_12_12i8j_ad3i2j_bcef3ij:O-Sm-Zr,88.0,"Invalid WP multiplicities - A7B2C2_mC176_12_23i30j_ad6i7j_bc2e2f6i3j:O-Sm-Zr, expected Sm21Zr17O83 to be Sm2Zr2O7" +mp-771253,Sm2Zr2O7,-9.323957757,-3.7640128017,0.0924911207,0.0723849185,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Sm-Zr,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_27e_3e_3e:O-Sm-Zr, expected SmZrO9 to be Sm2Zr2O7" +mp-675436,Sm2Zr2O7,-9.2266452427,-3.6667002874,0.189803635,0.1696974328,GGA,Pmma,A7B2C2_oP22_51_3e2j_af_cf:O-Sm-Zr,22.0,"Invalid WP multiplicities - A7B2C2_oP22_51_6e4j_a2f_2c2f:O-Sm-Zr, expected Sm3Zr4O14 to be Sm2Zr2O7" +mp-4408,Sm2Zr2O7,-9.4164488777,-3.8565039224,0.0,-0.0201062022,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sm-Zr,22.0,A7B2C2_cF88_227_af_c_d:O-Sm-Zr +mp-760533,SmZr4O9,-9.6269059993,-3.667649781,0.0985057508,0.0985057508,GGA,Imm2,A9BC4_oI28_44_a4c_b_2c:O-Sm-Zr,14.0,"Invalid WP multiplicities - A9BC4_oI28_44_a8c_b_4c:O-Sm-Zr, expected SmZr8O17 to be SmZr4O9" +mp-1203930,Sm(NO3)3,-7.1504115809,-1.4390062492,0.0,-0.1975622968,GGA,C2/c,A3B9C_mC208_15_6f_18f_cef:N-O-Sm,104.0,A3B9C_mC208_15_6f_18f_aef:N-O-Sm +mp-1221209,Na3W2(ClO)4,-6.3039328577,-1.9143376404,0.1132301196,0.1132301196,GGA+U,Amm2,A4B3C4D2_oC26_38_2a2b_2ab_f_ab:Cl-Na-O-W,13.0,A4B3C4D2_oC26_38_2a2b_2ab_f_ab:Cl-Na-O-W +mp-583762,Na3W3Cl13,-5.0825874242,-1.5629588374,0.0,-0.0234121967,GGA,P2_1/c,A13B3C3_mP76_14_13e_3e_3e:Cl-Na-W,76.0,"Invalid WP multiplicities - A13B3C3_mP76_14_50e_10e_9e:Cl-Na-W, expected Na10W9Cl50 to be Na3W3Cl13" +mp-1220687,NaW(ClO)2,-6.5205450817,-1.875360704,0.0925343633,0.0925343633,GGA+U,Amm2,A2BC2D_oC12_38_2a_b_ab_a:Cl-Na-O-W,6.0,A2BC2D_oC12_38_2a_b_ab_a:Cl-Na-O-W +mp-504607,YInO3,-7.791829652,-2.9801854566,0.0045696549,0.0045696549,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:In-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:In-O-Y +mp-1034352,Mg14SnCO16,-6.1509994569,-2.5638376623,0.3112691973,0.3112691973,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Sn, expected Mg18SnCO20 to be Mg14SnCO16" +mp-1034328,Mg14SnCO16,-6.1384146253,-2.5512528307,0.3238540288,0.3238540288,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Sn, expected Mg30SnCO32 to be Mg14SnCO16" +mp-1202685,Sn(CO)4,-6.7306115714,0.0150538364,1.3079452139,1.3079452139,GGA,Iba2,A4B4C_oI72_45_4c_4c_c:C-O-Sn,36.0,A4B4C_oI72_45_4c_4c_c:C-O-Sn +mp-1021392,Mg6SnC,-2.4803074462,0.3746822597,0.4585193678,0.4585193678,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Sn, expected Mg12SnC to be Mg6SnC" +mp-1021540,Mg6SnC,-2.3427520375,0.5122376684000001,0.5960747765000001,0.5960747765000001,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Sn, expected Mg12SnC to be Mg6SnC" +mp-1026734,Mg14SnC,-2.0519623137,0.1756725642,0.2312186932,0.2312186932,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Sn, expected Mg18SnC to be Mg14SnC" +mp-1026654,Mg14SnC,-1.9779851931,0.2496496848,0.3051958139,0.3051958139,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Sn, expected Mg26SnC to be Mg14SnC" +mp-1095701,Mg30SnCO32,-6.2322780583,-2.8019549707,0.1626186088,0.1626186088,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Sn, expected Mg90SnCO80 to be Mg30SnCO32" +mp-1098346,Mg30SnCO32,-6.2261298817,-2.7958067941,0.1687667854,0.1687667854,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Sn, expected Mg110SnCO72 to be Mg30SnCO32" +mp-1031550,Mg6SnCO8,-5.9922264925,-2.0913872839,0.6047861358000001,0.6047861358000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Sn, expected Mg6SnCO12 to be Mg6SnCO8" +mp-1031751,Mg6SnCO8,-6.0017060562,-2.1008668477,0.595306572,0.595306572,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Sn, expected Mg6SnCO12 to be Mg6SnCO8" +mp-542769,Sn(CO2)2,-7.6151038907,-1.5788670786,0.0834218354,0.0834218354,GGA,C2/c,A2B4C_mC28_15_f_2f_e:C-O-Sn,14.0,A2B4C_mC28_15_f_2f_e:C-O-Sn +mp-29058,V3(Bi3O8)2,-7.1909542064,-2.0132873116,0.0,-0.008622645,GGA+U,Pnma,A6B16C3_oP100_62_2c2d_2c7d_cd:Bi-O-V,100.0,A6B16C3_oP100_62_2c2d_2c7d_cd:Bi-O-V +mp-690540,V2Bi4O11,-7.0869018806,-1.9137639698,0.0999633794,0.0999633794,GGA+U,P1,A4B11C2_aP17_1_4a_11a_2a:Bi-O-V,17.0,A4B11C2_aP17_1_4a_11a_2a:Bi-O-V +mp-677149,V2Bi4O11,-7.1354177353,-1.9622798245,0.0514475247,0.0514475247,GGA+U,Pc,A4B11C2_mP34_7_4a_11a_2a:Bi-O-V,34.0,"Invalid WP multiplicities - A4B11C2_mP34_7_8a_22a_3a:Bi-O-V, expected V3(Bi4O11)2 to be V2Bi4O11" +mp-1101096,V2Bi4O11,-6.4415404535,-1.2684025427,0.7453248065,0.7453248065,GGA+U,P1,A4B11C2_aP51_1_12a_33a_6a:Bi-O-V,51.0,A4B11C2_aP51_1_12a_33a_6a:Bi-O-V +mp-1216992,V2Bi4O11,-7.1683947612,-1.9952568504,0.0184704988,0.0184704988,GGA+U,P1,A4B11C2_aP17_1_4a_11a_2a:Bi-O-V,17.0,A4B11C2_aP17_1_4a_11a_2a:Bi-O-V +mp-1217521,V2Bi4O11,-7.1667333196,-1.9935954088,0.0201319404,0.0201319404,GGA+U,P1,A4B11C2_aP51_1_12a_33a_6a:Bi-O-V,51.0,A4B11C2_aP51_1_12a_33a_6a:Bi-O-V +mp-757152,V2Bi4O11,-7.1760590585,-2.0029211477,0.0108062015,0.0108062015,GGA+U,P2_1,A4B11C2_mP34_4_4a_11a_2a:Bi-O-V,34.0,A4B11C2_mP34_4_8a_22a_4a:Bi-O-V +mp-690568,V2Bi4O11,-7.1120422526,-1.9389043418,0.0748230074,0.0748230074,GGA+U,P2_1,A4B11C2_mP34_4_4a_11a_2a:Bi-O-V,34.0,"Invalid WP multiplicities - A4B11C2_mP34_4_7a_22a_3a:Bi-O-V, expected V3Bi7O22 to be V2Bi4O11" +mp-766025,V2Bi4O11,-7.1551426109,-1.9820047001,0.0317226491,0.0317226491,GGA+U,C2,A4B11C2_mC68_5_4c_11c_abc:Bi-O-V,34.0,"Invalid WP multiplicities - A4B11C2_mC68_5_7c_21c_ab2c:Bi-O-V, expected V3(BiO3)7 to be V2Bi4O11" +mp-1100931,V2Bi4O11,-7.1158435015,-1.9427055907,0.0710217585,0.0710217585,GGA+U,Pc,A4B11C2_mP34_7_4a_11a_2a:Bi-O-V,34.0,"Invalid WP multiplicities - A4B11C2_mP34_7_8a_22a_3a:Bi-O-V, expected V3(Bi4O11)2 to be V2Bi4O11" +mp-1100947,V2Bi4O11,-7.1382953053,-1.9651573945,0.0485699547,0.0485699547,GGA+U,Cm,A4B11C2_mC34_8_2b_3a4b_2a:Bi-O-V,17.0,"Invalid WP multiplicities - A4B11C2_mC34_8_3b_3a8b_2a:Bi-O-V, expected V2Bi6O19 to be V2Bi4O11" +mp-756282,VBiO3,-7.641337985,-2.0884457183,0.0103641481,0.0103641481,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Bi-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_3c2d_a:Bi-O-V, expected VBiO7 to be VBiO3" +mp-1187744,VBiO3,-7.377992122,-1.8250998553,0.2737100111,0.2737100111,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Bi-O-V,5.0,AB3C_cP5_221_a_c_b:Bi-O-V +mp-1199780,V4Bi23,-4.36890281,0.2483888296,0.2483888296,0.2483888296,GGA,P-1,A23B4_aP108_2_46i_8i:Bi-V,108.0,A23B4_aP108_2_46i_8i:Bi-V +mp-1120800,V3Bi2,-6.6640644375,0.3224748565,0.3224748565,0.3224748565,GGA,P4/m,A2B3_tP20_83_jk_adejk:Bi-V,20.0,A2B3_tP20_83_jk_adejk:Bi-V +mp-1100861,V16Bi3O32,-8.562278638,-2.3827099465,0.0182829249,0.0182829249,GGA+U,P1,A3B32C16_aP51_1_3a_32a_16a:Bi-O-V,51.0,A3B32C16_aP51_1_3a_32a_16a:Bi-O-V +mp-1207870,VBiO2,-6.9200160031,-1.2155728475,0.7153108758000001,0.7153108758000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Bi-O-V,16.0,AB2C_tI32_141_c_h_d:Bi-O-V +mp-767265,V(Bi5O8)5,-6.2864261683,-1.6960673385,0.0114997919,0.0114997919,GGA+U,C2,A25B40C_mC132_5_a12c_20c_b:Bi-O-V,66.0,"Invalid WP multiplicities - A25B40C_mC132_5_a24c_39c_b:Bi-O-V, expected VBi49O78 to be V(Bi5O8)5" +mp-1120786,VBi2,-5.39204645,0.1962483267,0.1962483267,0.1962483267,GGA,C2/m,A2B_mC12_12_2i_i:Bi-V,6.0,A2B_mC12_12_2i_i:Bi-V +mp-1120797,V5Bi3,-6.8135261316,0.3040985859,0.3040985859,0.3040985859,GGA,Pnma,A3B5_oP32_62_cd_3cd:Bi-V,32.0,A3B5_oP32_62_cd_3cd:Bi-V +mp-1120757,V5Bi3,-6.6881681738,0.4294565437,0.4294565437,0.4294565437,GGA,I4/mcm,A3B5_tI32_140_ah_bk:Bi-V,16.0,"Invalid WP multiplicities - A3B5_tI32_140_ah_b2k:Bi-V, expected V3Bi to be V5Bi3" +mp-1188225,SmVO3,-8.9790061535,-3.2504944858,0.0,-0.0514810292,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Sm-V,20.0,A3BC_oP20_62_cd_c_a:O-Sm-V +mp-20702,SmVO3,-8.679960838,-2.9514491703,0.2990453155,0.2475642862,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Sm-V,5.0,A3BC_cP5_221_c_a_b:O-Sm-V +mp-768045,V5BiO10,-8.5456599855,-2.3752283234,0.0193980206,0.0193980206,GGA+U,P1,AB10C5_aP64_1_4a_40a_20a:Bi-O-V,64.0,AB10C5_aP64_1_4a_40a_20a:Bi-O-V +mp-765475,V5BiO10,-8.5063985531,-2.3359668911,0.058659453,0.058659453,GGA+U,P-1,AB10C5_aP64_2_2i_20i_10i:Bi-O-V,64.0,"Invalid WP multiplicities - AB10C5_aP64_2_2i_40i_18i:Bi-O-V, expected V9BiO20 to be V5BiO10" +mp-1101209,V5BiO10,-8.5424752119,-2.3720435498,0.0225827942,0.0225827942,GGA+U,I4/m,AB10C5_tI128_87_2e_2h4i_h2i:Bi-O-V,64.0,"Invalid WP multiplicities - AB10C5_tI128_87_2e_8h19i_3h9i:Bi-O-V, expected V21BiO46 to be V5BiO10" +mp-1209711,SmV2O2,-7.5240252995,-0.96807016,1.4029999497,1.4029999497,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Sm-V,20.0,A2BC2_tI40_141_h_c_h:O-Sm-V +mp-1101208,VBiO4,-7.5532413067,-2.1013829658,0.0587688358,-0.0147507283,GGA+U,C2,AB4C_mC12_5_a_2c_b:Bi-O-V,6.0,"Invalid WP multiplicities - AB4C_mC12_5_a_3c_b:Bi-O-V, expected VBiO6 to be VBiO4" +mp-23506,VBiO4,-7.5956494383,-2.1437910975,0.0163607042,-0.05715886,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Bi-O-V,12.0,AB4C_tI24_88_a_f_b:Bi-O-V +mp-1102997,VBiO4,-7.5382494942,-2.0863911533,0.0737606483,0.0002410842,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Bi-O-V,12.0,AB4C_mC24_15_e_2f_e:Bi-O-V +mp-540864,VBiO4,-7.5908185088,-2.1389601679,0.0211916337,-0.0523279304,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Bi-O-V,24.0,AB4C_oP24_60_c_2d_c:Bi-O-V +mp-23044,VBiO4,-7.5959088692,-2.1440505283,0.0161012733,-0.0574182908,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Bi-O-V,12.0,AB4C_tI24_88_a_f_b:Bi-O-V +mp-545850,VBiO4,-7.6120101425,-2.1601518017,0.0,-0.0735195642,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Bi-O-V,12.0,AB4C_tI24_141_a_h_b:Bi-O-V +mp-1120717,V3Bi,-7.6271222188,0.1459296163,0.1459296163,0.1459296163,GGA,Pm-3n,AB3_cP8_223_a_c:Bi-V,8.0,AB3_cP8_223_a_c:Bi-V +mp-1095337,SmVO4,-8.75101045,-3.1528026083,0.037601715,-0.2075448245,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-Sm-V,12.0,A4BC_tI24_88_f_a_b:O-Sm-V +mp-19323,SmVO4,-8.788612165,-3.1904043233,0.0,-0.2451465395,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-Sm-V,12.0,A4BC_tI24_141_h_a_b:O-Sm-V +mp-772672,Sm2V2O7,-8.7592087205,-3.1017718669,0.1159461666,0.1159461666,GGA+U,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Sm-V,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_27i_7i_7i:O-Sm-V, expected Sm7V7O27 to be Sm2V2O7" +mp-779427,Sm2V2O7,-8.7623988136,-3.1049619601,0.1127560734,0.1127560734,GGA+U,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sm-V,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-Sm-V, expected SmVO10 to be Sm2V2O7" +mp-1100930,V4Bi23O44,-6.3364531518,-1.5150281157,0.3129358298,0.3129358298,GGA+U,P1,A23B44C4_aP71_1_23a_44a_4a:Bi-O-V,71.0,A23B44C4_aP71_1_23a_44a_4a:Bi-O-V +mp-1100982,V4Bi23O44,-6.4147340052,-1.5933089691,0.2346549764,0.2346549764,GGA+U,P1,A23B44C4_aP71_1_23a_44a_4a:Bi-O-V,71.0,A23B44C4_aP71_1_23a_44a_4a:Bi-O-V +mp-1076055,Sm2V2O5,-8.6752956922,-2.8599148071,0.2631766349,0.2631766349,GGA+U,Ima2,A5B2C2_oI36_46_b2c_c_ab:O-Sm-V,18.0,A5B2C2_oI36_46_b2c_c_ab:O-Sm-V +mp-647265,V2Bi7O15,-6.8468142157,-1.8779989357,0.0218589329,0.0218589329,GGA+U,C2/c,A7B15C2_mC384_15_14f_30f_4f:Bi-O-V,192.0,"Invalid WP multiplicities - A7B15C2_mC384_15_51f_117f_14f:Bi-O-V, expected V14(Bi17O39)3 to be V2Bi7O15" +mp-1204532,V(BiO3)2,-6.9922716886,-1.8317142889,0.1007627064,0.1007627064,GGA+U,P2_1/c,A2B6C_mP36_14_2e_6e_e:Bi-O-V,36.0,A2B6C_mP36_14_2e_6e_e:Bi-O-V +mp-1205158,VBi2O5,-7.0873733775,-1.9000823917,0.0907132275,0.0907132275,GGA+U,Pnma,A2B5C_oP96_62_2c2d_abc6d_cd:Bi-O-V,96.0,A2B5C_oP96_62_2c2d_abc6d_cd:Bi-O-V +mp-561165,VBi2O5,-7.0935128321,-1.9062218463,0.0845737729,0.0845737729,GGA+U,Cmcm,A2B5C_oC96_63_2c2g_cd3egh_cg:Bi-O-V,48.0,"Invalid WP multiplicities - A2B5C_oC96_63_2c2g_cd3eg3h_cg:Bi-O-V, expected V3Bi6O23 to be VBi2O5" +mp-1100945,V3(Bi4O11)2,-6.7935545067,-1.7389247219,0.1107614347,0.1107614347,GGA+U,P-1,A8B22C3_aP33_2_4i_11i_ai:Bi-O-V,33.0,"Invalid WP multiplicities - A8B22C3_aP33_2_7i_21i_a2i:Bi-O-V, expected V5(BiO3)14 to be V3(Bi4O11)2" +mp-1208186,V2BiO2,-7.1169543425,-0.736618604,0.9535887757,0.9535887757,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Bi-O-V,20.0,AB2C2_tI40_141_c_h_h:Bi-O-V +mp-1120821,V4Bi3,-6.5995222471,0.2372051343,0.2372051343,0.2372051343,GGA,C2/m,A3B4_mC28_12_3i_ac3i:Bi-V,14.0,A3B4_mC28_12_3i_ad3i:Bi-V +mp-1120823,V4Bi3,-6.5821200957,0.2546072857,0.2546072857,0.2546072857,GGA,Cmcm,A3B4_oC56_63_2c2f_ac3f:Bi-V,28.0,A3B4_oC56_63_2c2f_ac3f:Bi-V +mp-1372756,VBiO5,-6.9417140982,-1.5620228473000002,0.2895358398,0.2895358398,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-O-V,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_15e_e:Bi-O-V, expected VBiO15 to be VBiO5" +mp-1363448,VBiO5,-6.8791106043,-1.4994193534,0.3521393338,0.3521393338,GGA+U,Pbca,AB5C_oP56_61_c_5c_c:Bi-O-V,56.0,"Invalid WP multiplicities - AB5C_oP56_61_c_31c_c:Bi-O-V, expected VBiO31 to be VBiO5" +mp-1120782,VBi,-6.169240315,0.292957285,0.292957285,0.292957285,GGA,Pnma,AB_oP8_62_c_c:Bi-V,8.0,AB_oP8_62_c_c:Bi-V +mp-758482,V2Bi24O41,-6.4184205409,-1.7444834003,0.0069911982,0.0069911982,GGA+U,P222,A24B41C2_oP67_16_6u_a10u_bg:Bi-O-V,67.0,"Invalid WP multiplicities - A24B41C2_oP67_16_11u_a19u_bg:Bi-O-V, expected V2(Bi4O7)11 to be V2Bi24O41" +mp-1100934,V2Bi8O17,-6.7077831141,-1.7823966966,0.1011755837,0.1011755837,GGA+U,P1,A8B17C2_aP27_1_8a_17a_2a:Bi-O-V,27.0,A8B17C2_aP27_1_8a_17a_2a:Bi-O-V +mp-694856,V2Bi8O17,-6.6321235911,-1.7067371737,0.1768351067,0.1768351067,GGA+U,Cm,A8B17C2_mC54_8_8a_17a_2a:Bi-O-V,27.0,A8B17C2_mC54_8_8a_17a_2a:Bi-O-V +mp-1100936,V2Bi8O17,-6.6190358696,-1.6936494522,0.1899228281,0.1899228281,GGA+U,Cm,A8B17C2_mC54_8_8a_17a_2a:Bi-O-V,27.0,A8B17C2_mC54_8_8a_17a_2a:Bi-O-V +mp-1218963,SmV2BiO8,-8.1995370358,-2.6745039446,0.0007741179,0.0007741179,GGA+U,I-4m2,AB8CD2_tI24_119_a_2i_c_bd:Bi-O-Sm-V,12.0,"Invalid WP multiplicities - AB8CD2_tI24_119_a_6i_c_bd:Bi-O-Sm-V, expected SmV2BiO24 to be SmV2BiO8" +mp-1111147,K2LiNiF6,-4.7845532980000005,-2.6466801734,0.022245482,0.022245482,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ni,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ni +mp-1112315,CsK2IrF6,-4.774006861,-2.4316560359,0.126511539,0.126511539,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ir-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ir-K +mp-1112335,K2CeAgF6,-5.325029197,-3.0794975113,0.2196276123,0.2196276123,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-F-K +mp-1112863,K2LiTaF6,-5.734079824,-2.9884426044000003,0.2231972596,0.2231972596,GGA,Immm,A6B2CD_oI20_71_el_f_a_b:F-K-Li-Ta,10.0,"Invalid WP multiplicities - A6B2CD_oI20_71_e2l_f_a_b:F-K-Li-Ta, expected K2LiTaF10 to be K2LiTaF6" +mp-1041853,YCr3F15,-6.1332466058,-2.7596782881,0.2319866393,0.2319866393,GGA+U,P2_1/m,A3B15C_mP38_11_af_3e6f_e:Cr-F-Y,38.0,"Invalid WP multiplicities - A3B15C_mP38_11_2a2f_6e24f_e:Cr-F-Y, expected YCr6F54 to be YCr3F15" +mp-1395840,YCrF5,-7.29394237,-3.6258118813,0.1149446696,0.1149446696,GGA+U,Immm,AB5C_oI14_71_b_ceg_a:Cr-F-Y,7.0,AB5C_oI14_71_b_ceg_a:Cr-F-Y +mp-1049234,Ba2YCr2F11,-6.8479883331,-3.6831892971,0.0586746019,0.0586746019,GGA+U,P3_2,A2B2C11D_hP48_145_2a_2a_11a_a:Ba-Cr-F-Y,48.0,"Invalid WP multiplicities - A2B2C11D_hP48_145_5a_5a_31a_a:Ba-Cr-F-Y, expected Ba5YCr5F31 to be Ba2YCr2F11" +mp-1113025,K2InCuF6,-2.454370423,-0.4003142131,2.2754068651,2.2754068651,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-In-K +mp-1211884,K3CrF6,-5.488035989,-3.0427241774,0.045168667,0.0356538999,GGA+U,C2/m,AB6C3_mC20_12_a_ij_ce:Cr-F-K,10.0,AB6C3_mC20_12_c_ij_be:Cr-F-K +mp-1111695,K3CrF6,-5.533204656,-3.0878928444,0.0,-0.0095147671,GGA+U,Fm-3m,AB6C3_cF40_225_a_e_bc:Cr-F-K,10.0,AB6C3_cF40_225_a_e_bc:Cr-F-K +mp-5053,KCrF4,-6.1752601971,-3.1070331493,0.0,-0.0171048968,GGA+U,Pnma,AB4C_oP144_62_3d_6c9d_6c:Cr-F-K,144.0,AB4C_oP144_62_3d_6c9d_6c:Cr-F-K +mp-1211950,K2CrF6,-5.4811018522,-2.887466389,0.0,-0.0060726367,GGA+U,Fm-3m,AB6C2_cF36_225_a_e_c:Cr-F-K,9.0,AB6C2_cF36_225_a_e_c:Cr-F-K +mp-1182535,K5Cr10F31,-6.5191111895,-3.0117564628,0.0158910085,0.0158910085,GGA+U,C2/m,A10B31C5_mC368_12_10j_gh20i20j_10i:Cr-F-K,184.0,"Invalid WP multiplicities - A10B31C5_mC368_12_36j_2g2h40i77j_20i:Cr-F-K, expected K10Cr36F99 to be K5Cr10F31" +mp-20076,KCrF6,-5.402309915,-2.6232698873,0.0,-0.0953010294,GGA+U,R-3,AB6C_hR24_148_a_f_b:Cr-F-K,8.0,AB6C_hR24_148_a_f_b:Cr-F-K +mp-1212394,K2CrF5,-5.7928974911,-3.1139924659,0.0,-0.0189220072,GGA+U,Pbcn,AB5C2_oP128_60_2d_ac9d_2c3d:Cr-F-K,128.0,AB5C2_oP128_60_2d_ac9d_2c3d:Cr-F-K +mp-556365,KCrF3,-6.233367434,-2.9337907701,0.0,-0.0189269236,GGA+U,C2/m,AB3C_mC20_12_ab_g2i_h:Cr-F-K,10.0,"Invalid WP multiplicities - AB3C_mC20_12_ab_2g3i_h:Cr-F-K, expected KCrF5 to be KCrF3" +mp-1180782,KCrF3,-6.230846555,-2.9312698911,0.002520879,-0.0164060446,GGA+U,Ibam,AB3C_oI20_72_c_aj_b:Cr-F-K,10.0,AB3C_oI20_72_c_aj_b:Cr-F-K +mp-560547,KCrF3,-6.228462199,-2.9288855351,0.004905235,-0.0140216886,GGA+U,I4/m,AB3C_tI20_87_ab_eh_d:Cr-F-K,10.0,AB3C_tI20_87_ab_eh_d:Cr-F-K +mp-566131,KCrF3,-6.206554186,-2.9069775221,0.026813248,0.0078863244,GGA+U,P4/mmm,AB3C_tP5_123_b_ae_c:Cr-F-K,5.0,AB3C_tP5_123_b_ae_c:Cr-F-K +mp-1180767,KCrF3,-6.2306271970000005,-2.9310505331,0.002740237,-0.0161866866,GGA+U,I4/mcm,AB3C_tI20_140_d_bh_a:Cr-F-K,10.0,AB3C_tI20_140_d_bh_a:Cr-F-K +mp-555036,KCrF3,-6.146849666,-2.8472730021,0.086517768,0.0675908444,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-F-K,5.0,AB3C_cP5_221_b_c_a:Cr-F-K +mp-690521,K3CrF3,-4.7508329314,-2.0767356152,0.43976769,0.43976769,GGA+U,P1,AB3C3_aP7_1_a_3a_3a:Cr-F-K,7.0,AB3C3_aP7_1_a_3a_3a:Cr-F-K +mp-555898,K2Cr3(ClF3)2,-6.2255391015,-2.6604708378,0.0,-0.0102301154,GGA+U,P2_1/c,A2B3C6D2_mP26_14_e_ae_3e_e:Cl-Cr-F-K,26.0,"Invalid WP multiplicities - A2B3C6D2_mP26_14_e_2a2e_9e_e:Cl-Cr-F-K, expected KCr3ClF9 to be K2Cr3(ClF3)2" +mp-1227664,Ca7InN4,-5.0504708054,-0.8723989229,0.0015108566,0.0015108566,GGA,P2_12_12,A7BC4_oP24_18_a3c_b_2c:Ca-In-N,24.0,A7BC4_oP24_18_a3c_b_2c:Ca-In-N +mp-1246749,Ca3In3N5,-5.5409649014,-0.4542080418,0.1119143942,0.1119143942,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-In-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-In-N +mp-1247360,Ca3InN3,-5.5397396014,-0.7143155807,0.0452454007,0.0452454007,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ca-In-N,14.0,A3BC3_hP14_176_h_c_h:Ca-In-N +mp-510086,Ca2InN,-4.5471965913,-0.7723519875,0.0,-0.0296962966,GGA,Cmcm,A2BC_oC16_63_2c_c_c:Ca-In-N,8.0,A2BC_oC16_63_2c_c_c:Ca-In-N +mp-1029479,Ca(InN)2,-5.2696496,-0.433258162,0.012245622,0.012245622,GGA,R-3m,AB2C2_hR15_166_a_c_c:Ca-In-N,5.0,AB2C2_hR15_166_a_c_c:Ca-In-N +mp-1246121,Ca3(InN2)2,-5.5712390522,-0.58611163,0.055236907,0.055236907,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-In-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-In-N +mp-1246099,Ca3(InN2)2,-5.5004856197,-0.5153581975,0.1259903395,0.1259903395,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ca-In-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ca-In-N +mp-685352,Ca2NF,-5.8300634757,-2.2652700626,0.0,-0.097793106,GGA,Cm,A2BC_mC192_8_24a12b_12a6b_12a6b:Ca-F-N,96.0,"Invalid WP multiplicities - A2BC_mC192_8_24a22b_12a11b_12a9b:Ca-F-N, expected Ca34N15F17 to be Ca2NF" +mp-33588,Ca2NF,-5.7999783325,-2.2351849194,0.0300851432,-0.0677079628,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:Ca-F-N,8.0,A2BC_tI16_141_e_a_b:Ca-F-N +mp-2646991,Ca2NF,-5.80471706,-2.2399236469,0.0253464157,-0.0724466903,GGA,R-3m,A2BC_hR12_166_c_a_b:Ca-F-N,4.0,A2BC_hR12_166_c_a_b:Ca-F-N +mp-989404,Ca6In2NF,-3.882042392,-1.1035483288,0.0293492736,0.0293492736,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Ca-F-In-N,10.0,A6BC2D_cF40_225_e_a_c_b:Ca-F-In-N +mp-642331,Ca19In8N7,-4.2479578568,-0.7633892675,0.0,-0.0169067855,GGA,Fm-3m,A19B8C7_cF136_225_aeh_f_be:Ca-In-N,34.0,"Invalid WP multiplicities - A19B8C7_cF136_225_a5e7h_f_be:Ca-In-N, expected Ca115In8N7 to be Ca19In8N7" +mp-20419,Ca4In2N,-3.8139046514,-0.6907243793000001,0.0,-0.0363034762,GGA,I4_1/amd,A4B2C_tI28_141_2e_e_a:Ca-In-N,14.0,"Invalid WP multiplicities - A4B2C_tI28_141_4e_e_a:Ca-In-N, expected Ca8In2N to be Ca4In2N" +mp-1110851,K2AgBiF6,-4.5545835310000005,-2.5183118478,0.0857585372,0.0857585372,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-F-K +mp-977164,Li3H3N2,-4.6365573975,-0.5643153244,0.0235997997,0.0235997997,GGA,Pm,A3B3C2_mP8_6_ac_a2b_ab:H-Li-N,8.0,"Invalid WP multiplicities - A3B3C2_mP8_6_a2c_a2b_ab:H-Li-N, expected Li3H5N2 to be Li3H3N2" +mp-643905,Sr(H2N)2,-5.2377666775,-0.6758541799000001,0.0,-0.0943800011,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:H-N-Sr,28.0,A4B2C_mP28_14_4e_2e_e:H-N-Sr +mp-696969,Sr(H2N)2,-5.2376482607,-0.6757357631,0.0001184168,-0.0942615843,GGA,I4_1/amd,A4B2C_tI28_141_h_e_a:H-N-Sr,14.0,A4B2C_tI28_141_h_e_a:H-N-Sr +mp-690794,Sr2HN,-4.5223284075,-0.7452764383,0.0,-0.050516621,GGA,R-3m,ABC2_hR12_166_a_b_c:H-N-Sr,4.0,ABC2_hR12_166_a_b_c:H-N-Sr +mp-30228,Li4HN,-3.6983907842,-0.4709053781,0.0,-0.0012003058,GGA,I4_1/a,AB4C_tI24_88_a_f_b:H-Li-N,12.0,AB4C_tI24_88_a_f_b:H-Li-N +mp-34465,Li2HN,-4.405825385,-0.5190587092,0.0645699444,0.0463930474,GGA,Imm2,AB2C_oI8_44_a_c_a:H-Li-N,4.0,AB2C_oI8_44_a_c_a:H-Li-N +mp-1223097,Li2HN,-4.4618105066,-0.5750438307,0.0085848228,-0.0095920742,GGA,Ima2,AB2C_oI64_46_2bc_4b2c_2bc:H-Li-N,32.0,"Invalid WP multiplicities - AB2C_oI64_46_4b2c_6b6c_4b2c:H-Li-N, expected Li9(HN)4 to be Li2HN" +mp-1189725,Li2HN,-4.4703953294,-0.5836286535,0.0,-0.018176897,GGA,Pnma,AB2C_oP16_62_c_2c_c:H-Li-N,16.0,AB2C_oP16_62_c_2c_c:H-Li-N +mp-699284,Li2HN,-4.4620633262,-0.5752966504,0.0083320031,-0.0098448939,GGA,Imma,AB2C_oI64_74_hi_a3ej_hi:H-Li-N,32.0,AB2C_oI64_74_hi_a3ej_hi:H-Li-N +mp-1190219,Li2HN,-4.4393423913,-0.5525757154000001,0.0310529381,0.0128760411,GGA,P4_2/m,AB2C_tP16_84_j_efi_j:H-Li-N,16.0,AB2C_tP16_84_j_efi_j:H-Li-N +mp-35695,Li2HN,-4.3846095175,-0.4978428417,0.0857858119,0.0676089149,GGA,R3m,AB2C_hR12_160_a_2a_a:H-Li-N,4.0,AB2C_hR12_160_a_2a_a:H-Li-N +mp-1201065,Li15H9N8,-4.5121696867,-0.5790341616,0.0056661096,0.0056661096,GGA,Pc,A9B15C8_mP64_7_9a_15a_8a:H-Li-N,64.0,A9B15C8_mP64_7_9a_15a_8a:H-Li-N +mp-1210795,Li3(HN)2,-4.55780154,-0.3884857486,0.1840180797,0.1840180797,GGA,Ibam,A2B3C2_oI28_72_j_af_j:H-Li-N,14.0,A2B3C2_oI28_72_j_af_j:H-Li-N +mp-1087524,LiH2N,-4.7541859638,-0.4964684933,0.0957331012,0.0206355383,GGA,Cc,A2BC_mC16_9_2a_a_a:H-Li-N,8.0,A2BC_mC16_9_2a_a_a:H-Li-N +mp-1105785,LiH2N,-4.813233645,-0.5555161746,0.03668542,-0.0384121429,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:H-Li-N,16.0,A2BC_mP16_14_2e_e_e:H-Li-N +mp-1106045,LiH2N,-4.7945107769,-0.5367933065,0.0554082881,-0.0196892748,GGA,P2_12_12_1,A2BC_oP16_19_2a_a_a:H-Li-N,16.0,A2BC_oP16_19_2a_a_a:H-Li-N +mp-1189646,LiH2N,-4.7662011038,-0.5084836333,0.0837179612,0.0086203983,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:H-Li-N,16.0,A2BC_oP16_33_2a_a_a:H-Li-N +mp-1188218,LiH2N,-4.5711365625,-0.3134190921,0.2787825025,0.2036849396,GGA,Pbcm,A2BC_oP16_57_ad_c_d:H-Li-N,16.0,A2BC_oP16_57_ad_c_d:H-Li-N +mp-1188409,LiH2N,-4.6211796694,-0.363462199,0.2287393956,0.1536418327,GGA,Pnma,A2BC_oP16_62_ac_c_c:H-Li-N,16.0,A2BC_oP16_62_ac_c_c:H-Li-N +mp-1189549,LiH2N,-4.8454940325,-0.5877765621000001,0.0044250325,-0.0706725304,GGA,Fddd,A2BC_oF64_70_h_e_f:H-Li-N,16.0,A2BC_oF64_70_h_e_f:H-Li-N +mp-23702,LiH2N,-4.849919065,-0.5922015946,0.0,-0.0750975629,GGA,I-4,A2BC_tI32_82_2g_ace_g:H-Li-N,16.0,A2BC_tI32_82_2g_ace_g:H-Li-N +mp-1079418,LiH2N,-4.8176330713,-0.5599156008,0.0322859937,-0.0428115692,GGA,P-42_1m,A2BC_tP8_113_e_a_c:H-Li-N,8.0,A2BC_tP8_113_e_a_c:H-Li-N +mp-1188477,LiH2N,-4.8089825956,-0.5512651252,0.0409364694,-0.0341610935,GGA,P4_2/ncm,A2BC_tP16_138_i_a_e:H-Li-N,16.0,A2BC_tP16_138_i_a_e:H-Li-N +mp-1200910,Li7H5N4,-4.5593330831,-0.5798287086,0.0059431802,0.0059431802,GGA,Pna2_1,A5B7C4_oP64_33_5a_7a_4a:H-Li-N,64.0,A5B7C4_oP64_33_5a_7a_4a:H-Li-N +mp-1192182,Sr2LiH2N,-4.01830342,-0.6166606219,0.045367065,0.045367065,GGA,Pnma,A2BCD2_oP24_62_2c_c_c_2c:H-Li-N-Sr,24.0,A2BCD2_oP24_62_2c_c_c_2c:H-Li-N-Sr +mp-1187172,SrHN,-5.26610263,-0.7931978222,0.0,-0.0768026765,GGA,Pnma,ABC_oP12_62_c_c_c:H-N-Sr,12.0,ABC_oP12_62_c_c_c:H-N-Sr +mp-707454,Li(H3N)4,-4.8874532760000005,-0.4187700345,0.0281401785,0.0281401785,GGA,I-43d,A12BC4_cI272_220_4e_c_ce:H-Li-N,136.0,A12BC4_cI272_220_4e_c_ce:H-Li-N +mp-1208234,Th2AgP2O,-5.8991888983,-0.3269278603,1.6001046489,1.6001046489,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Ag-O-P-Th,6.0,ABC2D2_tP6_123_a_b_g_g:Ag-O-P-Th +mp-1079993,ThAgPO,-7.2003063525,-2.0487049847,0.0096451334,0.0096451334,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Ag-O-P-Th,8.0,ABCD_tP8_129_a_b_c_c:Ag-O-P-Th +mp-1111409,Na2VHgF6,-4.784138844,-2.4339877613,0.367015735,0.367015735,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-V +mp-27635,Rb2SnI6,-2.7946079611,-1.1489592833,0.0148230192,0.0148230192,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:I-Rb-Sn,9.0,A6B2C_cF36_225_e_c_a:I-Rb-Sn +mp-554199,RbSnIO6,-5.5372285911,-1.5212725306,0.0,-0.0322673667,GGA,P6_322,AB6CD_hP18_182_c_i_a_d:I-O-Rb-Sn,18.0,AB6CD_hP18_182_c_i_a_d:I-O-Rb-Sn +mp-29405,RbSnI3,-3.064690359,-1.1826493635,0.0,-0.0270715363,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-Rb-Sn,20.0,"Invalid WP multiplicities - A3BC_oP20_62_5c_c_c:I-Rb-Sn, expected RbSnI5 to be RbSnI3" +mp-669364,Cs3Re3(SI)4,-5.7165135811,-1.255152614,0.0,-0.0739282029,GGA,Fm-3m,A3B4C3D4_cF112_225_d_ce_e_f:Cs-I-Re-S,28.0,"Invalid WP multiplicities - A3B4C3D4_cF112_225_d_2c3e_e_f:Cs-I-Re-S, expected Cs3Re3S4I11 to be Cs3Re3(SI)4" +mp-1100897,Y2Zr8O19,-9.7860209183,-3.7411370293,0.1095945039,0.1095945039,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Y-Zr,29.0,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Y-Zr, expected Y2Zr14O35 to be Y2Zr8O19" +mp-758784,YZr4O9,-9.8029155579,-3.7188104125,0.0683909836,0.0683909836,GGA,P1,A9BC4_aP14_1_9a_a_4a:O-Y-Zr,14.0,A9BC4_aP14_1_9a_a_4a:O-Y-Zr +mp-676515,YZr5O12,-9.6901308833,-3.6587287279,0.0789937768,0.0789937768,GGA,C2,A12BC5_mC36_5_6c_a_b2c:O-Y-Zr,18.0,"Invalid WP multiplicities - A12BC5_mC36_5_11c_a_b4c:O-Y-Zr, expected YZr9O22 to be YZr5O12" +mp-675470,YZr9O20,-9.7814773437,-3.7038256434,0.0645942397,0.0645942397,GGA,P1,A20BC9_aP30_1_20a_a_9a:O-Y-Zr,30.0,A20BC9_aP30_1_20a_a_9a:O-Y-Zr +mp-531103,Y2Zr24O51,-9.8777184661,-3.7691615619,0.058962855,0.058962855,GGA,Pmm2,A51B2C24_oP77_25_25a26d_bc_12b12c:O-Y-Zr,77.0,A51B2C24_oP77_25_25a26d_bc_12b12c:O-Y-Zr +mp-530787,Y6Zr22O53,-9.7797759935,-3.7424581881,0.1109596845,0.1109596845,GGA,Pmm2,A53B6C22_oP81_25_25b28c_6a_8a14d:O-Y-Zr,81.0,A53B6C22_oP81_25_25b28c_6a_8a14d:O-Y-Zr +mp-1100946,Y6Zr22O53,-9.5578126581,-3.5204948528,0.3329230198,0.3329230198,GGA,R3m,A53B6C22_hR243_160_53a_6a_22a:O-Y-Zr,81.0,A53B6C22_hR243_160_53a_6a_22a:O-Y-Zr +mp-753842,YZr5O11,-9.8015742971,-3.7063654684,0.0856473197,0.0856473197,GGA,Pm,A11BC5_mP17_6_6a5b_a_2a3b:O-Y-Zr,17.0,A11BC5_mP17_6_6a5b_a_2a3b:O-Y-Zr +mp-1220113,NdY3Zr4O14,-9.3801924814,-3.5796467882,0.3137011423,0.3137011423,GGA,R-3m,AB14C3D4_hR66_166_a_c2h_d_be:Nd-O-Y-Zr,22.0,"Invalid WP multiplicities - AB14C3D4_hR66_166_a_c9h_d_be:Nd-O-Y-Zr, expected NdY3Zr4O56 to be NdY3Zr4O14" +mp-675231,Y2Zr9O22,-9.6722129521,-3.6513220568,0.0794237709,0.0794237709,GGA,Pm,A22B2C9_mP66_6_22a22b_4a_7a11b:O-Y-Zr,66.0,A22B2C9_mP66_6_22a22b_4a_7a11b:O-Y-Zr +mp-766243,YZrO3,-9.6254433785,-3.6545958031,0.081758632,0.081758632,GGA,C2,A3BC_mC80_5_12c_2a3c_2b3c:O-Y-Zr,40.0,"Invalid WP multiplicities - A3BC_mC80_5_18c_2a4c_2b4c:O-Y-Zr, expected Y5Zr5O18 to be YZrO3" +mp-1215965,YZrO3,-9.5833642372,-3.6125166618,0.1238377732,0.1238377732,GGA,I2_12_12_1,A3BC_oI80_24_6d_ab2c_abd:O-Y-Zr,40.0,A3BC_oI80_24_6d_ab2c_abd:O-Y-Zr +mp-1101447,NdYO2,-8.4364223475,-3.1544233554,0.1158602027,0.1158602027,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-O-Y,4.0,AB2C_hR12_166_a_c_b:Nd-O-Y +mp-1207896,YZrO14,-5.3338370163,-0.0670986599,1.2769896946,1.2769896946,GGA,Fd-3m,A14BC_cF128_227_cg_a_b:O-Y-Zr,32.0,A14BC_cF128_227_cg_a_b:O-Y-Zr +mp-771043,Y2Zr2O7,-9.7233723961,-3.845630172,0.0644450414,0.0644450414,GGA,P2_1,A7B2C2_mP44_4_14a_4a_4a:O-Y-Zr,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:O-Y-Zr, expected Y7Zr7O27 to be Y2Zr2O7" +mp-1101171,Y2Zr2O7,-9.7126454882,-3.8349032641,0.0751719493,0.0751719493,GGA,C2/m,A7B2C2_mC22_12_aij_h_i:O-Y-Zr,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_a2i2j_h_i:O-Y-Zr, expected Y2Zr2O13 to be Y2Zr2O7" +mp-558411,Y2Zr2O7,-9.7282478105,-3.8505055863,0.059569627,0.059569627,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Y-Zr,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a2f_c_d:O-Y-Zr, expected YZrO7 to be Y2Zr2O7" +mp-1216122,Y4Zr3O12,-9.75193298,-3.9167092496,0.0084621632,-0.0194972446,GGA,P1,A12B4C3_aP19_1_12a_4a_3a:O-Y-Zr,19.0,A12B4C3_aP19_1_12a_4a_3a:O-Y-Zr +mp-675802,Y4Zr3O12,-9.7528171726,-3.9175934422,0.0075779705,-0.0203814372,GGA,P-1,A12B4C3_aP38_2_12i_4i_3i:O-Y-Zr,38.0,"Invalid WP multiplicities - A12B4C3_aP38_2_24i_8i_5i:O-Y-Zr, expected Y8Zr5O24 to be Y4Zr3O12" +mp-1216160,Y4Zr3O12,-9.7603951432,-3.9251714127,0.0,-0.0279594078,GGA,P-1,A12B4C3_aP19_2_6i_2i_ai:O-Y-Zr,19.0,"Invalid WP multiplicities - A12B4C3_aP19_2_12i_4i_ai:O-Y-Zr, expected Y8Zr3O24 to be Y4Zr3O12" +mp-1215768,YZr4O10,-9.6430686787,-3.6347912956,0.0875825198,0.0875825198,GGA,I4/m,A10BC4_tI30_87_di_a_h:O-Y-Zr,15.0,"Invalid WP multiplicities - A10BC4_tI30_87_2d2i_a_h:O-Y-Zr, expected YZr4O20 to be YZr4O10" +mp-653559,P4Se3I2,-4.2151153733,-0.3164845778,0.0182530728,0.0081585167,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:I-P-Se,36.0,"Invalid WP multiplicities - A2B4C3_oP36_62_d_7c5d_3c4d:I-P-Se, expected P17Se11I2 to be P4Se3I2" +mp-28089,P4Se3I2,-4.2333684461,-0.3347376506,0.0,-0.0100945561,GGA,I-42d,A2B4C3_tI72_122_e_2e_ce:I-P-Se,36.0,"Invalid WP multiplicities - A2B4C3_tI72_122_e_3e_3c3e:I-P-Se, expected P6Se9I2 to be P4Se3I2" +mp-1204573,Cu3P8(Se2I)3,-4.3819476371,-0.3319672382,0.0169769072,0.0169769072,GGA,Pnma,A3B3C8D6_oP80_62_cd_cd_4d_3d:Cu-I-P-Se,80.0,A3B3C8D6_oP80_62_cd_cd_4d_3d:Cu-I-P-Se +mp-567472,CuP4I,-4.6963995606,-0.1587690528,0.0040858942,0.0040858942,GGA,P2_1,ABC4_mP72_4_6a_6a_24a:Cu-I-P,72.0,"Invalid WP multiplicities - ABC4_mP72_4_11a_11a_48a:Cu-I-P, expected Cu11P48I11 to be CuP4I" +mp-28393,P3Se4I,-4.3090942106,-0.346979238,0.0,-0.0069545664,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:I-P-Se,32.0,AB3C4_mP32_14_e_3e_4e:I-P-Se +mp-1202691,CuP4Se3I,-4.5017306547,-0.3113398237,0.0354429831,0.0354429831,GGA,Cmce,ABC4D3_oC72_64_d_f_2fg_fg:Cu-I-P-Se,36.0,ABC4D3_oC72_64_d_f_2fg_fg:Cu-I-P-Se +mp-679930,Cu3P15I2,-4.9517338705,-0.129539355,0.0,-0.0084396142,GGA,P2_1/c,A3B2C15_mP80_14_3e_2e_15e:Cu-I-P,80.0,"Invalid WP multiplicities - A3B2C15_mP80_14_11e_4e_55e:Cu-I-P, expected Cu11P55I4 to be Cu3P15I2" +mp-571015,CuP4Se4I,-4.4976771645,-0.3767342688,0.0,-0.0431556368,GGA,Cmce,ABC4D4_oC80_64_d_f_2g_efg:Cu-I-P-Se,40.0,"Invalid WP multiplicities - ABC4D4_oC80_64_d_f_9g_2e4f3g:Cu-I-P-Se, expected CuP18Se12I to be CuP4Se4I" +mp-570817,Cu2P8Se3I2,-4.6161665845,-0.2868798827,0.0,-0.0170852749,GGA,Pbcm,A2B2C8D3_oP60_57_2d_2d_4e_ce:Cu-I-P-Se,60.0,"Invalid WP multiplicities - A2B2C8D3_oP60_57_4d_5d_25e_4c3e:Cu-I-P-Se, expected Cu4P50(Se2I)5 to be Cu2P8Se3I2" +mp-1225955,CuP7I,-4.9259211962,-0.0964000222,0.0188825463,0.0188825463,GGA,P2_1/c,ABC7_mP72_14_2e_2e_14e:Cu-I-P,72.0,ABC7_mP72_14_2e_2e_14e:Cu-I-P +mp-38807,Y7ReO14,-9.3318164595,-3.5607497806,0.0406875565,0.0406875565,GGA,Pnnm,A14BC7_oP44_58_3g2h_a_bcdh:O-Re-Y,44.0,"Invalid WP multiplicities - A14BC7_oP44_58_11g8h_a_2b2cd4h:O-Re-Y, expected Y21ReO54 to be Y7ReO14" +mp-1216051,Y7ReO14,-9.2793331109,-3.508266432,0.0931709051,0.0931709051,GGA,R-3m,A14BC7_hR66_166_c2h_a_bde:O-Re-Y,22.0,"Invalid WP multiplicities - A14BC7_hR66_166_2c3h_a_bde:O-Re-Y, expected Y7ReO22 to be Y7ReO14" +mp-779456,Y2ReO5,-9.4828329766,-3.2189688556,0.01522128,0.01522128,GGA,P4/n,A5BC2_tP32_85_ab2g_2c_g:O-Re-Y,32.0,"Invalid WP multiplicities - A5BC2_tP32_85_2a2b15g_4c_g:O-Re-Y, expected YReO16 to be Y2ReO5" +mp-675733,Y5(ReO6)2,-9.4653289753,-3.3294513715000003,0.0,-0.0263606612,GGA,C2/m,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Y,19.0,"Invalid WP multiplicities - A12B2C5_mC38_12_4i3j_h_a3i:O-Re-Y, expected Y7(ReO10)2 to be Y5(ReO6)2" +mp-13627,Y3ReO8,-9.2443530912,-3.2928989067,0.0,-0.0502261072,GGA,P2_1/c,A8BC3_mP48_14_8e_e_3e:O-Re-Y,48.0,A8BC3_mP48_14_8e_e_3e:O-Re-Y +mp-1233722,Y14Mg(ReO14)2,-9.2186699489,-3.5402874173,0.0766564287,0.0766564287,GGA,P1,AB28C2D14_aP45_1_a_28a_2a_14a:Mg-O-Re-Y,45.0,AB28C2D14_aP45_1_a_28a_2a_14a:Mg-O-Re-Y +mp-1233065,Y14Mg(ReO14)2,-9.1966207727,-3.5182382411,0.0987056049,0.0987056049,GGA,Pm,AB28C2D14_mP45_6_a_6a6b8c_ab_3a3b4c:Mg-O-Re-Y,45.0,"Invalid WP multiplicities - AB28C2D14_mP45_6_a_6a6b16c_ab_3a3b8c:Mg-O-Re-Y, expected Y22Mg(ReO22)2 to be Y14Mg(ReO14)2" +mp-1234556,Y14Mg(ReO14)2,-9.1942682669,-3.5158857353,0.1010581107,0.1010581107,GGA,Pm,AB28C2D14_mP45_6_a_6a6b8c_ab_3a3b4c:Mg-O-Re-Y,45.0,"Invalid WP multiplicities - AB28C2D14_mP45_6_a_6a6b16c_ab_3a3b8c:Mg-O-Re-Y, expected Y22Mg(ReO22)2 to be Y14Mg(ReO14)2" +mp-1227892,BaNaVS4,-5.7153090604,-1.5908510931,0.0,-0.0528210256,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Ba-Na-S-V,28.0,ABC4D_mP28_14_e_e_4e_e:Ba-Na-S-V +mp-1194133,PrCo(CN)6,-8.5908658943,-0.2137097475,0.0127316798,0.0127316798,GGA,P6_3/mmc,A6BC6D_hP28_194_k_a_k_c:C-Co-N-Pr,28.0,A6BC6D_hP28_194_k_a_k_c:C-Co-N-Pr +mp-1194235,U2Co(AsO12)2,-6.30185578,-0.8628935836,0.63866066,0.63866066,GGA+U,P-1,A2BC24D2_aP29_2_i_a_12i_i:As-Co-O-U,29.0,A2BC24D2_aP29_2_i_a_12i_i:As-Co-O-U +mp-19786,UCoAs2,-7.4825327812,-0.5530416275,0.0,-0.0067191883,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Co-U,8.0,A2BC_tP8_129_ac_b_c:As-Co-U +mp-1204256,U2Co(AsO10)2,-6.8111754728000005,-1.2934495188,0.4483534038,0.4483534038,GGA+U,P-1,A2BC20D2_aP50_2_2i_i_20i_2i:As-Co-O-U,50.0,A2BC20D2_aP50_2_2i_i_20i_2i:As-Co-O-U +mp-1208732,Sr2Nb(NO)2,-7.7204872357,-1.9995359187,0.1635464688,0.1635464688,GGA,I4/mmm,A2BC2D2_tI14_139_c_a_e_e:N-Nb-O-Sr,7.0,A2BC2D2_tI14_139_c_a_e_e:N-Nb-O-Sr +mp-775922,SrNb3NO7,-9.0875735167,-2.8411798102,0.0822362837,0.0822362837,GGA,Cm,AB3C7D_mC48_8_2a_6a_14a_2a:N-Nb-O-Sr,24.0,AB3C7D_mC48_8_2a_6a_14a_2a:N-Nb-O-Sr +mp-1218149,SrNbNO2,-8.483088444,-2.4789542758,0.0699755642,0.0699755642,GGA,P4/mmm,ABC2D_tP5_123_a_b_e_c:N-Nb-O-Sr,5.0,ABC2D_tP5_123_a_b_e_c:N-Nb-O-Sr +mp-1218907,Sr10Nb5N5O14,-7.8330620532,-2.5878392204000003,0.0746290398,0.0746290398,GGA,C2/m,A5B5C14D10_mC68_12_c2i_a2i_g2i2j_g2j:N-Nb-O-Sr,34.0,"Invalid WP multiplicities - A5B5C14D10_mC68_12_c3i_a4i_2g3i7j_2g7j:N-Nb-O-Sr, expected Sr32Nb9N7O38 to be Sr10Nb5N5O14" +mp-30117,W2CCl8,-5.6530703824,-1.1136868158,0.1051104397,0.1051104397,GGA,Pbca,AB8C2_oP88_61_c_8c_2c:C-Cl-W,88.0,AB8C2_oP88_61_c_8c_2c:C-Cl-W +mp-1200705,W6CCl15,-6.3578705674,-1.1439843505,0.0457552676,0.0457552676,GGA,P2_1/c,AB15C6_mP88_14_e_15e_6e:C-Cl-W,88.0,AB15C6_mP88_14_e_15e_6e:C-Cl-W +mp-1214992,AgW6CCl18,-5.92852833,-1.1945413009,0.0116297378,0.0116297378,GGA,P6_3/m,ABC18D6_hP52_176_b_c_2h2i_i:Ag-C-Cl-W,52.0,ABC18D6_hP52_176_b_c_2h2i_i:Ag-C-Cl-W +mp-680486,W6CCl16,-6.2596457077,-1.1920790367,0.0210947343,0.0210947343,GGA,Pnma,AB16C6_oP92_62_c_4c6d_2c2d:C-Cl-W,92.0,"Invalid WP multiplicities - AB16C6_oP92_62_c_16c39d_7c11d:C-Cl-W, expected W29CCl94 to be W6CCl16" +mp-1183141,AgC,-3.784801335,2.2458094129,2.2458094129,2.2458094129,GGA,P6_3mc,AB_hP4_186_b_b:Ag-C,4.0,AB_hP4_186_b_b:Ag-C +mp-1008912,AgC,-3.77192837,2.2586823779,2.2586823779,2.2586823779,GGA,F-43m,AB_cF8_216_a_c:Ag-C,2.0,AB_cF8_216_a_c:Ag-C +mp-1008653,AgC,-3.794145765,2.2364649829,2.2364649829,2.2364649829,GGA,Fm-3m,AB_cF8_225_a_b:Ag-C,2.0,AB_cF8_225_a_b:Ag-C +mp-30295,W6CCl18,-6.0644621504,-1.2544178803,0.0,-0.0356163008,GGA,P-62c,AB18C6_hP50_190_c_2h2i_i:C-Cl-W,50.0,"Invalid WP multiplicities - AB18C6_hP50_190_c_2h3i_i:C-Cl-W, expected W6CCl24 to be W6CCl18" +mp-1214982,AgC6,-6.9259397329,1.3889958326,1.3889958326,1.3889958326,GGA,Cmmm,AB6_oC14_65_a_kp:Ag-C,7.0,AB6_oC14_65_a_kp:Ag-C +mp-1216843,V(CrS2)2,-7.4922774414,-1.0728773732,0.0,-0.006644589,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Cr-S-V,7.0,A2B4C_mC14_8_2a_4a_a:Cr-S-V +mp-1025224,V(CrS2)2,-7.4758363357,-1.0564362675,0.0164411057,0.0097965167,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Cr-S-V,7.0,A2B4C_mC14_12_i_2i_a:Cr-S-V +mp-1217039,V4(CrS2)5,-7.6060461932,-0.976290388,0.0748203723,0.0748203723,GGA,P-1,A5B10C4_aP19_2_a2i_5i_2i:Cr-S-V,19.0,"Invalid WP multiplicities - A5B10C4_aP19_2_a4i_9i_3i:Cr-S-V, expected V2(CrS2)3 to be V4(CrS2)5" +mp-1216377,VCrCuS4,-6.6138560893000005,-0.9878618496,0.024576893,0.024576893,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-S-V, expected VCrCuS8 to be VCrCuS4" +mp-1078077,V2CrS4,-7.5239442757,-1.1858501218,0.0009082432,0.0009082432,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Cr-S-V,7.0,AB4C2_mC14_12_a_2i_i:Cr-S-V +mp-1216997,V(Cr7S10)2,-7.4520471763,-0.9676023766,0.0042654552,0.0042654552,GGA,C2/m,A14B20C_mC70_12_7i_10i_a:Cr-S-V,35.0,"Invalid WP multiplicities - A14B20C_mC70_12_12i_18i_a:Cr-S-V, expected V(Cr2S3)12 to be V(Cr7S10)2" +mp-1046764,Mg2Nb2WO8,-8.5401067581,-2.6989675196,0.1616922465,0.1616922465,GGA+U,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:Mg-Nb-O-W,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_4i_4i_16i_i:Mg-Nb-O-W, expected Mg4Nb4WO16 to be Mg2Nb2WO8" +mp-1016580,Mg6NbW,-3.8101588881,0.2724805581,0.2948633288,0.2948633288,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-W, expected Mg12NbW to be Mg6NbW" +mp-1016587,Mg6NbW,-3.7261021919,0.3565372544,0.3789200251,0.3789200251,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-W, expected Mg12NbW to be Mg6NbW" +mp-1026531,Mg14NbW,-2.66745252,0.1740072281,0.1932010131,0.1932010131,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-W, expected Mg18NbW to be Mg14NbW" +mp-1026515,Mg14NbW,-2.6051643213,0.2362954269,0.2554892119,0.2554892119,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-W, expected Mg26NbW to be Mg14NbW" +mp-760680,Li2Fe12P7,-7.3431865743,-0.5169381076,0.0,-0.0030847171,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Li-P,21.0,"Invalid WP multiplicities - A12B2C7_hP21_174_5j5k_ad_ej2k:Fe-Li-P, expected Li(Fe3P)5 to be Li2Fe12P7" +mp-753614,Fe(PS3)2,-5.4022785589,-0.5005757339,0.1212960524,0.1212960524,GGA,C2,AB2C6_mC18_5_a_c_3c:Fe-P-S,9.0,"Invalid WP multiplicities - AB2C6_mC18_5_a_c_6c:Fe-P-S, expected Fe(PS6)2 to be Fe(PS3)2" +mp-1077386,LiFeP,-5.8257976433,-0.5617154489,0.0909803083,0.0429677527,GGA,Cmcm,ABC_oC12_63_c_c_c:Fe-Li-P,6.0,ABC_oC12_63_c_c_c:Fe-Li-P +mp-1008925,LiFeP,-5.6024834233,-0.3384012289,0.3142945283,0.2662819727,GGA,I4mm,ABC_tI6_107_a_a_a:Fe-Li-P,3.0,ABC_tI6_107_a_a_a:Fe-Li-P +mp-20049,LiFeP,-5.9167779517,-0.6526957572000001,0.0,-0.0480125557,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-Li-P,6.0,ABC_tP6_129_a_c_c:Fe-Li-P +mp-1232490,FePS3,-5.8158386865,-0.557304023,0.1268153802,0.1268153802,GGA,P-1,ABC3_aP10_2_i_i_3i:Fe-P-S,20.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Fe-P-S, expected FePS5 to be FePS3" +mp-5864,FePS3,-5.810363875,-0.5518292115,0.1322901917,0.1322901917,GGA,C2/m,ABC3_mC20_12_g_i_ij:Fe-P-S,20.0,ABC3_mC20_12_g_i_ij:Fe-P-S +mp-758594,Li(Fe3P2)2,-7.2840309864,-0.5220073361,0.0171511614,0.0171511614,GGA,P-6m2,A6BC4_hP11_187_jk_a_ck:Fe-Li-P,11.0,A6BC4_hP11_187_jk_a_ck:Fe-Li-P +mp-758741,Li(FeP)2,-6.539991232,-0.604877172,0.026109465,0.026109465,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-Li-P,5.0,A2BC2_tI10_139_d_a_e:Fe-Li-P +mp-1101971,FePS,-6.70680205,-0.7002108555000001,0.0,-0.0077779908,GGA,P2_1/c,ABC_mP12_14_e_e_e:Fe-P-S,12.0,ABC_mP12_14_e_e_e:Fe-P-S +mp-867714,Li2Fe(PS3)2,-5.1995842236,-0.8420232093000001,0.0688359441,0.0688359441,GGA,C2,AB2C2D6_mC22_5_a_ab_c_3c:Fe-Li-P-S,11.0,AB2C2D6_mC22_5_a_ab_c_3c:Fe-Li-P-S +mp-1222773,Li2Fe(PS3)2,-5.1867435918,-0.8291825775,0.0816765759,0.0816765759,GGA,P312,AB2C2D6_hP11_149_c_ab_i_l:Fe-Li-P-S,11.0,AB2C2D6_hP11_149_c_ab_i_l:Fe-Li-P-S +mp-553877,CdMoPO6,-7.4289093833,-2.2220233118,0.0,-0.0156153534,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Cd-Mo-O-P,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_19e_e:Cd-Mo-O-P, expected CdMoPO19 to be CdMoPO6" +mp-556462,Cd5Mo2(P2O7)4,-7.2396157307,-2.3996284519,0.0,-0.0191705313,GGA+U,C2/c,A5B2C28D8_mC172_15_e2f_f_14f_4f:Cd-Mo-O-P,86.0,"Invalid WP multiplicities - A5B2C28D8_mC172_15_e4f_f_54f_13f:Cd-Mo-O-P, expected Cd9Mo2(P13O54)2 to be Cd5Mo2(P2O7)4" +mp-560559,TeC4(ClF3)2,-5.3176086569,-1.0696151963,0.4563368362,0.4563368362,GGA,C2/c,A4B2C6D_mC52_15_2f_f_3f_e:C-Cl-F-Te,26.0,"Invalid WP multiplicities - A4B2C6D_mC52_15_6f_f_6f_e:C-Cl-F-Te, expected TeC12(ClF6)2 to be TeC4(ClF3)2" +mp-665035,C(ClF)2,-4.72819711,-1.3784577605,0.0341221966,0.0341221966,GGA,P1,AB2C2_aP10_1_2a_4a_4a:C-Cl-F,10.0,AB2C2_aP10_1_2a_4a_4a:C-Cl-F +mp-22966,C(ClF)2,-4.747162375,-1.3974230255,0.0151569316,0.0151569316,GGA,Fdd2,AB2C2_oF40_43_a_b_b:C-Cl-F,10.0,AB2C2_oF40_43_a_b_b:C-Cl-F +mp-560280,TeC6(ClF7)2,-5.4707703989,-1.6023757157,0.209194752,0.209194752,GGA,C2/c,A6B2C14D_mC92_15_3f_f_7f_e:C-Cl-F-Te,46.0,"Invalid WP multiplicities - A6B2C14D_mC92_15_11f_f_25f_e:C-Cl-F-Te, expected TeC22(ClF25)2 to be TeC6(ClF7)2" +mp-1208586,TeC12(ClF5)2,-6.3800426436,-0.9120764517,0.3179934919,0.3179934919,GGA,P2_1/c,A12B2C10D_mP100_14_12e_2e_10e_e:C-Cl-F-Te,100.0,A12B2C10D_mP100_14_12e_2e_10e_e:C-Cl-F-Te +mp-28473,CClF3,-5.14822885,-1.785901039,0.0118261563,0.0118261563,GGA,Cmc2_1,ABC3_oC20_36_a_a_ab:C-Cl-F,10.0,ABC3_oC20_36_a_a_ab:C-Cl-F +mp-23071,CCl3F,-4.3526618273,-1.0155109393,0.0119217797,0.0119217797,GGA,Pbca,AB3C_oP40_61_c_3c_c:C-Cl-F,40.0,AB3C_oP40_61_c_3c_c:C-Cl-F +mp-1214185,C8Cl3F2,-6.837397619,-0.437559784,0.1674984188,0.1674984188,GGA,P2_1/c,A8B3C2_mP52_14_8e_3e_2e:C-Cl-F,52.0,A8B3C2_mP52_14_8e_3e_2e:C-Cl-F +mp-1182731,Ba2ZrC8O19,-7.7134257672,-1.706690435,0.5431140117000001,0.5431140117000001,GGA,P-1,A2B8C19D_aP60_2_2i_8i_19i_i:Ba-C-O-Zr,60.0,"Invalid WP multiplicities - A2B8C19D_aP60_2_2i_16i_37i_i:Ba-C-O-Zr, expected Ba2ZrC16O37 to be Ba2ZrC8O19" +mp-1204722,Ba2ZrC8O19,-7.7201410877,-1.7134057555000002,0.5363986912,0.5363986912,GGA,C2/c,A2B8C19D_mC120_15_2e_4f_e9f_e:Ba-C-O-Zr,60.0,A2B8C19D_mC120_15_2e_4f_e9f_e:Ba-C-O-Zr +mp-680207,Gd2(FeB)7,-8.8658823523,-0.4784988932,0.0,-0.0733799149,GGA,Pccn,A7B7C2_oP128_56_7e_7e_4c:B-Fe-Gd,128.0,"Invalid WP multiplicities - A7B7C2_oP128_56_50e_50e_12c:B-Fe-Gd, expected Gd3(FeB)25 to be Gd2(FeB)7" +mp-1212669,Gd5B3O13,-10.75874725,-3.3908548805,0.0366585341,0.0366585341,GGA,P6_3/m,A3B5C13_hP42_176_h_fh_a2hi:B-Gd-O,42.0,A3B5C13_hP42_176_h_fh_a2hi:B-Gd-O +mp-866656,GdFeB4,-8.7910176296,-0.5803992074000001,0.0,-0.0315992992,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Fe-Gd,24.0,A4BC_oP24_55_4h_g_g:B-Fe-Gd +mp-1198327,Gd2Fe14B,-9.1303693535,-0.1061379894,0.0,-0.0182945604,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Gd,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Fe-Gd +mp-1202527,Gd(BO2)6,-8.6161060068,-2.6417514068,0.1346980379,0.1346980379,GGA,R3c,A6BC12_hR114_161_2b_a_4b:B-Gd-O,38.0,A6BC12_hR114_161_2b_a_4b:B-Gd-O +mp-1104757,Gd5(FeB3)2,-10.2664794285,-0.4667098712,0.0,-0.0466491994,GGA,R-3m,A6B2C5_hR39_166_f_c_b2c:B-Fe-Gd,,A6B2C5_hR39_166_f_c_b2c:B-Fe-Gd +mp-1194303,GdBO3,-10.6189097533,-3.4997937244,0.0,-0.0786454436,GGA,C2/c,ABC3_mC60_15_ef_cf_e4f:B-Gd-O,30.0,ABC3_mC60_15_ef_af_e4f:B-Gd-O +mp-1224628,GdBO3,-10.545738407,-3.4266223781000003,0.0731713463,-0.0054740973,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Gd-O,10.0,ABC3_oC20_40_b_a_bc:B-Gd-O +mp-29762,GdBO3,-10.39948872,-3.2803726911,0.2194210333,0.1407755897,GGA,R32,ABC3_hR45_155_d_e_df:B-Gd-O,15.0,ABC3_hR45_155_d_e_df:B-Gd-O +mp-561949,GdBO3,-10.475372913,-3.3562568841,0.1435368403,0.0648913967,GGA,P6_3/mmc,ABC3_hP10_194_c_a_h:B-Gd-O,10.0,ABC3_hP10_194_c_a_h:B-Gd-O +mp-560751,GdFe3(BO3)4,-8.850398794,-2.5721979196,0.0106167799,0.0106167799,GGA+U,P3_121,A4B3CD12_hP60_152_2ac_bc_b_2a5c:B-Fe-Gd-O,60.0,"Invalid WP multiplicities - A4B3CD12_hP60_152_5a4c_2b2c_b_6a22c:B-Fe-Gd-O, expected GdFe6B13O50 to be GdFe3(BO3)4" +mp-638598,GdFe3(BO3)4,-8.6022511185,-2.3240502441,0.2587644554,0.2587644554,GGA+U,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Fe-Gd-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_155_ad_e_b_6d4f:B-Fe-Gd-O, expected GdFe3(B2O21)2 to be GdFe3(BO3)4" +mp-31369,Gd2B4O9,-9.8888066493,-3.262805985,0.0212180433,0.0212180433,GGA,P-1,A4B2C9_aP30_2_4i_2i_9i:B-Gd-O,30.0,"Invalid WP multiplicities - A4B2C9_aP30_2_4i_2i_12i:B-Gd-O, expected Gd(BO3)2 to be Gd2B4O9" +mp-1196563,Gd2B4O9,-9.8744184514,-3.2484177871,0.0356062413,0.0356062413,GGA,C2/c,A4B2C9_mC300_15_10f_5f_e22f:B-Gd-O,150.0,A4B2C9_mC300_15_10f_5f_e22f:B-Gd-O +mp-11711,Gd(BO2)3,-9.53356696,-3.154123978,0.0220152023,-0.0048172727,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:B-Gd-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_e2f_e_6f:B-Gd-O, expected GdB5O12 to be Gd(BO2)3" +mp-1204314,Gd(BO2)3,-9.5555821623,-3.1761391803,0.0,-0.026832475,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Gd-O,160.0,A3BC6_oP160_62_6d_4c_6c9d:B-Gd-O +mp-1102349,GdFe4B,-9.3033777225,-0.1974445807,0.0121727913,0.0121727913,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Fe-Gd,12.0,AB4C_hP12_191_c_di_ab:B-Fe-Gd +mp-7100,LaOF,-8.189221265,-4.2578296704,0.0,-0.108574445,GGA,P4/nmm,ABC_tP6_129_a_c_b:F-La-O,6.0,ABC_tP6_129_a_c_b:F-La-O +mp-8111,LaOF,-8.1840210433,-4.2526294488,0.0052002217,-0.1033742234,GGA,R-3m,ABC_hR18_166_c_c_c:F-La-O,6.0,ABC_hR18_166_c_c_c:F-La-O +mp-35555,LaOF,-8.1281162,-4.1967246054,0.061105065,-0.04746938,GGA,F-43m,ABC_cF12_216_a_c_b:F-La-O,3.0,ABC_cF12_216_a_c_b:F-La-O +mp-675834,La3O2F5,-7.6615915935,-4.235712236,0.1158620328,0.1158620328,GGA,P1,A5B3C2_aP20_1_10a_6a_4a:F-La-O,20.0,A5B3C2_aP20_1_10a_6a_4a:F-La-O +mp-1223007,LaTh4OF19,-7.2499665866,-4.2157174187,0.1024747552,0.1024747552,GGA,P2_1/m,A19BCD4_mP50_11_a8e5f_e_e_2ef:F-La-O-Th,50.0,"Invalid WP multiplicities - A19BCD4_mP50_11_a16e17f_e_e_2ef:F-La-O-Th, expected LaTh4OF51 to be LaTh4OF19" +mp-756142,La2Th5O13,-9.776324938,-4.2139120027,0.0312933923,0.0312933923,GGA,R3m,A2B13C5_hR60_160_2a_13a_5a:La-O-Th,20.0,A2B13C5_hR60_160_2a_13a_5a:La-O-Th +mp-1173034,La2Th8O19,-9.8455279079,-4.2189773657,0.0645348144,0.0645348144,GGA,Pmm2,A2B19C8_oP29_25_ad_10b9c_4a4d:La-O-Th,29.0,A2B19C8_oP29_25_ad_10b9c_4a4d:La-O-Th +mp-675564,La2Th8O19,-9.8882072172,-4.261656675,0.021855505,0.021855505,GGA,P-4m2,A2B19C8_tP29_115_g_abc4e4f_4g:La-O-Th,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:La-O-Th, expected La2Th14O35 to be La2Th8O19" +mp-673677,La2Th3O9,-9.6436212957,-4.1697793413,0.0225262076,0.0225262076,GGA,I-4m2,A2B9C3_tI28_119_e_c4f_ae:La-O-Th,14.0,"Invalid WP multiplicities - A2B9C3_tI28_119_e_c6f_a2e:La-O-Th, expected La2Th5O13 to be La2Th3O9" +mp-753156,La2Th2O7,-9.4802417891,-4.0869189083,0.0572958715,0.0572958715,GGA,P-4m2,A2B7C2_tP11_115_g_abcef_g:La-O-Th,11.0,"Invalid WP multiplicities - A2B7C2_tP11_115_g_abc2e2f_g:La-O-Th, expected La2Th2O11 to be La2Th2O7" +mp-756428,LaTh4O10,-9.7307940627,-4.1269055815,0.0138228593,0.0138228593,GGA,I4/m,AB10C4_tI30_87_a_di_h:La-O-Th,15.0,"Invalid WP multiplicities - AB10C4_tI30_87_a_d2i_h:La-O-Th, expected LaTh4O18 to be LaTh4O10" +mp-766253,La2Th11O26,-9.8255014636,-4.1834921956,0.009830844,0.009830844,GGA,P-1,A2B26C11_aP39_2_i_13i_a5i:La-O-Th,39.0,"Invalid WP multiplicities - A2B26C11_aP39_2_i_23i_a9i:La-O-Th, expected La2Th19O46 to be La2Th11O26" +mp-1110987,Cs2YAgF6,-5.472906079,-3.2170355124,0.0,-0.0223929568,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Y,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-Y +mp-7618,Cs3YF6,-5.564408121,-3.5022529175,0.033903589,-0.0255126582,GGA,I4/mmm,A3B6C_tI20_139_bd_ei_a:Cs-F-Y,10.0,"Invalid WP multiplicities - A3B6C_tI20_139_b2d_ei_a:Cs-F-Y, expected Cs5YF6 to be Cs3YF6" +mp-1113151,Cs3YF6,-5.59831171,-3.5361565065,0.0,-0.0594162472,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Cs-F-Y,10.0,A3B6C_cF40_225_ac_e_b:Cs-F-Y +mp-1110961,K2NaSbI6,-2.826373834,-1.1751215813,0.0767649965,0.0767649965,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Sb +mp-989516,Cs2ICl6F,-3.006592495,-1.3799054928,0.0,-0.1394177601,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-F-I,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-F-I +mp-28578,CsI3F16,-3.9182847825,-2.1233265374,0.0,-0.0573159279,GGA,P-43n,AB16C3_cP160_218_ab_e5i_i:Cs-F-I,160.0,AB16C3_cP160_218_ab_e5i_i:Cs-F-I +mp-1044569,Ba2YSn2F11,-6.0308417383,-3.5714771542,0.0780444208,0.0780444208,GGA,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-Sn-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-Sn-Y, expected Ba5YSn5F31 to be Ba2YSn2F11" +mp-1047586,YSn3F15,-5.4409560468,-2.9584628263,0.1518640725,0.1518640725,GGA,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Sn-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Sn-Y, expected YSn6F54 to be YSn3F15" +mp-1394400,YSnF5,-6.4139662886,-3.552046602,0.0795068164,0.0795068164,GGA,Immm,A5BC_oI14_71_ceg_b_a:F-Sn-Y,7.0,A5BC_oI14_71_ceg_b_a:F-Sn-Y +mp-8945,YSnF7,-6.2027272333,-3.5520165955,0.0036573631,-0.0787420281,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Sn-Y,18.0,A7BC_mP18_4_7a_a_a:F-Sn-Y +mp-18183,YSnF7,-6.2063845964,-3.5556739585,0.0,-0.0823993911,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:F-Sn-Y,36.0,A7BC_mP36_14_7e_e_e:F-Sn-Y +mp-1211778,K3Ce(AsO4)2,-6.5429746336,-2.3889723124,0.021902452,0.021902452,GGA,P2_1/m,A2BC3D8_mP28_11_2e_e_3e_4e2f:As-Ce-K-O,28.0,A2BC3D8_mP28_11_2e_e_3e_4e2f:As-Ce-K-O +mp-1245657,Ba7TiN6,-5.8774593718,-0.781224647,0.054831917,0.054831917,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ba-N-Ti,56.0,A7B6C_oP56_60_c3d_3d_c:Ba-N-Ti +mp-849335,Ti3N2O3,-9.5520895356,-2.6521480314,0.0293770272,0.0293770272,GGA,Cm,A2B3C3_mC32_8_4a_6a_6a:N-O-Ti,16.0,A2B3C3_mC32_8_4a_6a_6a:N-O-Ti +mp-754790,Ti3N2O3,-9.575738785,-2.6757972808,0.0057277778,0.0057277778,GGA,Cm,A2B3C3_mC32_8_4a_6a_6a:N-O-Ti,16.0,A2B3C3_mC32_8_4a_6a_6a:N-O-Ti +mp-755047,Ti3N2O3,-9.5290112219,-2.6290697177,0.0524553409,0.0524553409,GGA,Cmc2_1,A2B3C3_oC32_36_2a_3a_3a:N-O-Ti,16.0,"Invalid WP multiplicities - A2B3C3_oC32_36_3a_5a_5a:N-O-Ti, expected Ti5N3O5 to be Ti3N2O3" +mp-755054,Ti3N2O3,-9.5734215938,-2.6734800895,0.0080449691,0.0080449691,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:N-O-Ti,16.0,"Invalid WP multiplicities - A2B3C3_oC32_63_f_2c2f_2c2f:N-O-Ti, expected Ti3NO3 to be Ti3N2O3" +mp-755920,Ti3NO4,-9.5432425138,-3.0670267863,0.03408893,0.03408893,GGA,Cmcm,AB4C3_oC32_63_c_2f_cf:N-O-Ti,16.0,"Invalid WP multiplicities - AB4C3_oC32_63_c_5f_2c2f:N-O-Ti, expected Ti6NO10 to be Ti3NO4" +mp-28926,Ba5(TiN3)2,-6.9423207438,-1.1419493374,0.0,-0.1023143901,GGA,P-1,A5B6C2_aP26_2_5i_6i_2i:Ba-N-Ti,26.0,A5B6C2_aP26_2_5i_6i_2i:Ba-N-Ti +mp-849331,Ti2N2O,-9.613208935,-2.1310764161,0.0578719275,0.0578719275,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776229,Ti2N2O,-9.6157414865,-2.1336089676,0.055339376,0.055339376,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776278,Ti2N2O,-9.6114411812,-2.1293086623,0.0596396813,0.0596396813,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776334,Ti2N2O,-9.6097246043,-2.1275920853,0.0613562583,0.0613562583,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-787808,Ti2N2O,-6.3167485932,1.1653839257,3.3543322693,3.3543322693,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776336,Ti2N2O,-9.61164297,-2.1295104511,0.0594378925,0.0594378925,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776361,Ti2N2O,-9.6142673297,-2.1321348108,0.0568135328,0.0568135328,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-775803,Ti2N2O,-9.6101417407,-2.1280092218,0.0609391218,0.0609391218,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-775820,Ti2N2O,-9.6129967145,-2.1308641956,0.058084148,0.058084148,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-775821,Ti2N2O,-9.6120632525,-2.1299307336,0.05901761,0.05901761,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-775829,Ti2N2O,-9.6126294417,-2.1304969228,0.0584514208,0.0584514208,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-854023,Ti2N2O,-6.0170169065,1.4651156124,3.654063956,3.654063956,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-854025,Ti2N2O,-6.4620432455,1.0200892734,3.209037617,3.209037617,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776313,Ti2N2O,-9.6120589898,-2.1299264708,0.0590218728,0.0590218728,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776280,Ti2N2O,-9.6164638912,-2.1343313723,0.0546169713,0.0546169713,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-1359894,Ti2N2O,-6.6209962965,0.8611362224,3.050084566,3.050084566,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-1360063,Ti2N2O,-6.814373392,0.6677591269,2.8567074705,2.8567074705,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-1357451,Ti2N2O,-6.4191891978,1.0629433212,3.2518916648,3.2518916648,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-1379330,Ti2N2O,-6.5616899027,0.9204426162,3.1093909598,3.1093909598,GGA,P1,A2BC2_aP40_1_16a_8a_16a:N-O-Ti,40.0,A2BC2_aP40_1_16a_8a_16a:N-O-Ti +mp-776387,Ti2N2O,-9.594617526,-2.1124850071,0.0764633365,0.0764633365,GGA,C2/m,A2BC2_mC40_12_4i_2i_4i:N-O-Ti,20.0,"Invalid WP multiplicities - A2BC2_mC40_12_6i_2i_8i:N-O-Ti, expected Ti4N3O to be Ti2N2O" +mp-1246282,Ba3(TiN2)2,-7.2048979111,-1.1055769607,0.1407206972,0.1407206972,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Ti,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Ti +mp-1246374,Ba3(TiN2)2,-7.2533805694,-1.1540596191,0.0922380389,0.0922380389,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ti,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Ti +mp-1029374,BaTiN2,-7.6270353763,-1.0051711746,0.3398309356,0.3398309356,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ba-N-Ti,8.0,AB2C_hP8_194_c_f_a:Ba-N-Ti +mp-1245986,Ba4TiN4,-6.3638109478,-0.9285474504,0.0547908194,0.0547908194,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-Ti +mp-778905,Ti17(NO4)6,-9.5018401501,-3.0558217905,0.0305515319,0.0305515319,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_47i_34i:N-O-Ti, expected Ti34N11O47 to be Ti17(NO4)6" +mp-778978,Ti17(NO4)6,-9.5018258651,-3.0558075055,0.0305658169,0.0305658169,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_46i_32i:N-O-Ti, expected Ti32N11O46 to be Ti17(NO4)6" +mp-778984,Ti17(NO4)6,-9.5008525913,-3.0548342316,0.0315390907,0.0315390907,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_47i_33i:N-O-Ti, expected Ti33N11O47 to be Ti17(NO4)6" +mp-779107,Ti17(NO4)6,-9.5020672883,-3.0560489287,0.0303243937,0.0303243937,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_12i_46i_32i:N-O-Ti, expected Ti16N6O23 to be Ti17(NO4)6" +mp-779464,Ti17(NO4)6,-9.4998664531,-3.0538480934,0.0325252289,0.0325252289,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_47i_29i:N-O-Ti, expected Ti29N11O47 to be Ti17(NO4)6" +mp-779470,Ti17(NO4)6,-9.5003475928,-3.0543292331,0.0320440893,0.0320440893,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_48i_32i:N-O-Ti, expected Ti32N11O48 to be Ti17(NO4)6" +mp-779487,Ti17(NO4)6,-9.5002107768,-3.0541924172,0.0321809052,0.0321809052,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_47i_34i:N-O-Ti, expected Ti34N11O47 to be Ti17(NO4)6" +mp-779648,Ti17(NO4)6,-9.5008538164,-3.0548354567,0.0315378656,0.0315378656,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,A6B24C17_aP94_2_12i_48i_34i:N-O-Ti +mp-849270,Ti17(NO4)6,-9.5009918185,-3.0549734589,0.0313998635,0.0313998635,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_48i_33i:N-O-Ti, expected Ti33N11O48 to be Ti17(NO4)6" +mp-1334095,Ti17(NO4)6,-7.998757937,-1.5527395774,1.533633745,1.533633745,GGA,P-1,A6B24C17_aP94_2_6i_24i_17i:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_aP94_2_11i_48i_33i:N-O-Ti, expected Ti33N11O48 to be Ti17(NO4)6" +mp-772749,Ti17(NO4)6,-9.5016601296,-3.0556417699,0.0307315524,0.0307315524,GGA,C2,A6B24C17_mC94_5_ab2c_12c_a8c:N-O-Ti,47.0,"Invalid WP multiplicities - A6B24C17_mC94_5_ab4c_18c_a13c:N-O-Ti, expected Ti27(N5O18)2 to be Ti17(NO4)6" +mp-779024,Ti17(NO4)6,-9.5001286799,-3.0541103202,0.0322630021,0.0322630021,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_12e_42f_10e17f:N-O-Ti, expected Ti11(NO7)3 to be Ti17(NO4)6" +mp-778995,Ti17(NO4)6,-9.4999653534,-3.0539469938,0.0324263286,0.0324263286,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_10e_41f_10e14f:N-O-Ti, expected Ti19N5O41 to be Ti17(NO4)6" +mp-778999,Ti17(NO4)6,-9.4982246109,-3.0522062512,0.0341670712,0.0341670712,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_11e_39f_10e15f:N-O-Ti, expected Ti40N11O78 to be Ti17(NO4)6" +mp-779127,Ti17(NO4)6,-9.5003018536,-3.054283494,0.0320898284,0.0320898284,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_10e_28f_10e12f:N-O-Ti, expected Ti17N5O28 to be Ti17(NO4)6" +mp-779454,Ti17(NO4)6,-9.4997230338,-3.0537046742,0.0326686482,0.0326686482,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_10e_42f_10e14f:N-O-Ti, expected Ti19N5O42 to be Ti17(NO4)6" +mp-779561,Ti17(NO4)6,-9.500858506,-3.0548401463,0.0315331761,0.0315331761,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_10e_39f_10e19f:N-O-Ti, expected Ti24N5O39 to be Ti17(NO4)6" +mp-779727,Ti17(NO4)6,-9.4979392111,-3.0519208514,0.034452471,0.034452471,GGA,P2_1/m,A6B24C17_mP94_11_6e_12f_5e6f:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_11_10e_32f_9e18f:N-O-Ti, expected Ti45(N5O32)2 to be Ti17(NO4)6" +mp-779528,Ti17(NO4)6,-9.4996085334,-3.0535901738,0.0327831486,0.0327831486,GGA,P2/c,A6B24C17_mP94_13_ef2g_12g_e8g:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_mP94_13_2e2f6g_44g_2e28g:N-O-Ti, expected Ti29(N2O11)4 to be Ti17(NO4)6" +mp-779465,Ti17(NO4)6,-9.5016101472,-3.0555917876,0.0307815348,0.0307815348,GGA,Ama2,A6B24C17_oC188_40_a3bc_12c_a2b7c:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_oC188_40_a4b4c_33c_a3b20c:N-O-Ti, expected Ti44N13O66 to be Ti17(NO4)6" +mp-779712,Ti17(NO4)6,-9.5005316794,-3.0545133197,0.0318600027,0.0318600027,GGA,Pmmn,A6B24C17_oP94_59_ab2e_4f4g_a2e2f2g:N-O-Ti,94.0,"Invalid WP multiplicities - A6B24C17_oP94_59_2a2b7e_14f22g_2a8e7f14g:N-O-Ti, expected Ti44N9O58 to be Ti17(NO4)6" +mp-776466,Ba2Ti6N2O11,-9.0094634924,-3.1857745565,0.0281164793,0.0281164793,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti +mp-755526,Ba2Ti6N2O11,-9.0190700257,-3.1953810898,0.018509946,0.018509946,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti +mp-755881,Ba2Ti6N2O11,-9.0172624719,-3.193573536,0.0203174998,0.0203174998,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ba-N-O-Ti +mp-775944,Ba2Ti6N2O11,-9.0059930233,-3.1823040874,0.0315869484,0.0315869484,GGA,C2/m,A2B2C11D6_mC42_12_i_i_a5i_3i:Ba-N-O-Ti,21.0,"Invalid WP multiplicities - A2B2C11D6_mC42_12_i_i_a9i_5i:Ba-N-O-Ti, expected Ba2Ti10N2O19 to be Ba2Ti6N2O11" +mp-1247437,Ba3Ti3N5,-7.6960497891,-1.2300611077,0.134546815,0.134546815,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ti,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ti +mp-30998,Ti(NO3)4,-7.1469695119,-1.2292203206,0.0,-0.1027437845,GGA,P2_1/c,A4B12C_mP68_14_4e_12e_e:N-O-Ti,68.0,"Invalid WP multiplicities - A4B12C_mP68_14_5e_17e_e:N-O-Ti, expected TiN5O17 to be Ti(NO3)4" +mp-1246088,Ba3TiN3,-6.45390894,-0.9307801383,0.1296013893,0.1296013893,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Ti,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Ti +mp-1210462,NaHN,-4.0472984633,0.3032836245,0.6822935505000001,0.6822935505000001,GGA,Fddd,ABC_oF96_70_h_h_h:H-N-Na,24.0,ABC_oF96_70_h_h_h:H-N-Na +mp-12433,NaSnN,-4.75781496,-0.2016176022,0.0642488735,0.0642488735,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Sn,6.0,ABC_hP6_186_b_b_a:N-Na-Sn +mp-23850,NaH2N,-4.5557727319,-0.4446546548,0.0,-0.0914317694,GGA,Fddd,A2BC_oF64_70_h_e_f:H-N-Na,16.0,A2BC_oF64_70_h_e_f:H-N-Na +mp-644276,Na2Sn(H2N)6,-4.1965838714,0.4408592015,0.844824282,0.844824282,GGA,R-3,A12B6C2D_hR63_148_2f_f_c_a:H-N-Na-Sn,21.0,A12B6C2D_hR63_148_2f_f_c_a:H-N-Na-Sn +mp-1212531,HfCu(O2F3)2,-5.3789685792,-1.60296655,0.569914394,0.569914394,GGA,P2_1/c,AB6CD4_mP24_14_a_3e_d_2e:Cu-F-Hf-O,24.0,AB6CD4_mP24_14_a_3e_b_2e:Cu-F-Hf-O +mp-1182271,HfO3F4,-6.4035601687,-2.3481637895,0.2313052159,0.2313052159,GGA,P2_1/c,A4BC3_mP32_14_4e_e_3e:F-Hf-O,32.0,A4BC3_mP32_14_4e_e_3e:F-Hf-O +mp-729080,HfO3F4,-5.8611133994,-1.8057170202,0.7737519853,0.7737519853,GGA,P2_1/c,A4BC3_mP32_14_4e_e_3e:F-Hf-O,32.0,A4BC3_mP32_14_4e_e_3e:F-Hf-O +mp-12523,YbPO4,-7.4186950933,-2.9620841547000003,0.0199907392,-0.1239565985,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-P-Yb,,A4BC_tI24_88_f_a_b:O-P-Yb +mp-4179,YbPO4,-7.4386858325,-2.9820748939,0.0,-0.1439473377,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Yb,,A4BC_tI24_141_h_a_b:O-P-Yb +mp-1104995,YbP3O10,-7.2412417793,-2.4379272855,0.1090548946,0.1090548946,GGA,C2,A10B3C_mC28_5_5c_ac_b:O-P-Yb,,A10B3C_mC28_5_5c_ac_b:O-P-Yb +mp-758107,Yb2P4O13,-7.4982042858,-2.8119211367,0.0087980618,0.0065104362,GGA,C2/c,A13B4C2_mC76_15_e6f_2f_f:O-P-Yb,,"Invalid WP multiplicities - A13B4C2_mC76_15_2e23f_3f_f:O-P-Yb, expected Yb(PO8)3 to be Yb2P4O13" +mp-759861,Yb2P4O13,-7.5070023476,-2.8207191985,0.0,-0.0022876256,GGA,C222_1,A13B4C2_oC76_20_a6c_2c_c:O-P-Yb,,"Invalid WP multiplicities - A13B4C2_oC76_20_2a11c_3c_c:O-P-Yb, expected Yb(PO4)3 to be Yb2P4O13" +mp-651882,Yb(PO3)3,-7.5337127225,-2.7414270147,0.0014768716,-0.0069158246,GGA,P2_1/c,A9B3C_mP156_14_27e_9e_ab2e:O-P-Yb,,"Invalid WP multiplicities - A9B3C_mP156_14_107e_31e_2a2b4e:O-P-Yb, expected Yb6P31O107 to be Yb(PO3)3" +mp-583593,Yb(PO3)3,-7.5351895941,-2.7429038863,0.0,-0.0083926962,GGA,R-3,A9B3C_hR312_148_12f_4f_abf:O-P-Yb,,"Invalid WP multiplicities - A9B3C_hR312_148_61f_16f_ab2f:O-P-Yb, expected Yb7(P16O61)3 to be Yb(PO3)3" +mp-1215693,YbGd(PO4)2,-8.7268870608,-3.2255666256,0.0,-0.0053479792,GGA,I-4m2,AB8C2D_tI24_119_a_2i_bc_d:Gd-O-P-Yb,,"Invalid WP multiplicities - AB8C2D_tI24_119_a_6i_bc_d:Gd-O-P-Yb, expected YbGd(PO12)2 to be YbGd(PO4)2" +mp-1207522,YbPO2,-6.1725624869,-1.9609904346,0.7421902329000001,0.7421902329000001,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:O-P-Yb,,A2BC_tI32_141_h_c_d:O-P-Yb +mp-12210,YbP5O14,-7.5456017207,-2.6526135822,0.0,-0.0158070028,GGA,C2/c,A14B5C_mC160_15_14f_5f_2e:O-P-Yb,,"Invalid WP multiplicities - A14B5C_mC160_15_17f_5f_2e:O-P-Yb, expected YbP5O17 to be YbP5O14" +mp-735129,YbP3O17,-6.130743979,-1.2796380794,0.4183500407,0.4183500407,GGA,P2_12_12_1,A17B3C_oP168_19_34a_6a_2a:O-P-Yb,,A17B3C_oP168_19_34a_6a_2a:O-P-Yb +mp-1103472,Na2UF8,-6.10390738,-3.4467898948,0.0,-0.031048178,GGA,I4/mmm,A8B2C_tI22_139_m_d_a:F-Na-U,11.0,A8B2C_tI22_139_m_d_a:F-Na-U +mp-864913,Na3UF8,-6.0264262258,-3.4805247566,0.0104229425,0.0104229425,GGA,I4/mmm,A8B3C_tI24_139_m_ad_b:F-Na-U,12.0,A8B3C_tI24_139_m_ad_b:F-Na-U +mp-1194950,Na3U6AlF30,-7.1538288395,-3.8336793196,0.2570219315,0.2570219315,GGA,P-3c1,AB30C3D6_hP80_165_a_5g_bd_g:Al-F-Na-U,80.0,AB30C3D6_hP80_165_a_5g_bd_g:Al-F-Na-U +mp-35589,Na3UF7,-6.03856612,-3.4349898779,0.145343117,0.145343117,GGA,Cm,A7B3C_mC22_8_3a2b_ab_a:F-Na-U,11.0,"Invalid WP multiplicities - A7B3C_mC22_8_3a4b_a2b_a:F-Na-U, expected Na5UF11 to be Na3UF7" +mp-676341,Na2UF6,-6.3924978256,-3.569682892,0.1532766453,0.1532766453,GGA,C2/c,A6B2C_mC36_15_3f_2e_e:F-Na-U,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_7f_4e_e:F-Na-U, expected Na4UF14 to be Na2UF6" +mp-555679,Na2UF6,-6.4013589533,-3.5785440198,0.1444155175,0.1444155175,GGA,Immm,A6B2C_oI18_71_fn_g_a:F-Na-U,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f2n_g_a:F-Na-U, expected Na2UF12 to be Na2UF6" +mp-558572,Na2UF6,-6.3875478289,-3.5647328953,0.1582266419,0.1582266419,GGA,P3,A6B2C_hP18_143_4d_ab2c_ab:F-Na-U,18.0,"Invalid WP multiplicities - A6B2C_hP18_143_10d_ab2c_ab:F-Na-U, expected Na2UF15 to be Na2UF6" +mp-14192,Na2UF6,-6.3735911256,-3.550776192,0.1721833453,0.1721833453,GGA,P321,A6B2C_hP9_150_ef_d_a:F-Na-U,9.0,A6B2C_hP9_150_ef_d_a:F-Na-U +mp-1220937,NaU2F9,-7.5409038637,-4.1151825287,0.0,-0.2946307592,GGA,Cc,A9BC2_mC48_9_9a_a_2a:F-Na-U,24.0,"Invalid WP multiplicities - A9BC2_mC48_9_13a_a_3a:F-Na-U, expected NaU3F13 to be NaU2F9" +mp-1205997,NaUF6,-6.77751591,-3.7671647714,0.0,-0.0432967732,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Na-U,8.0,A6BC_cF32_225_e_a_b:F-Na-U +mp-1207721,YSi2Ag3O7,-7.0291729159,-2.379819365,0.0428884939,0.0428884939,GGA,P6_3/m,A3B7C2D_hP78_176_bcdi_h3i_i_af:Ag-O-Si-Y,78.0,A3B7C2D_hP78_176_bcdi_h3i_i_af:Ag-O-Si-Y +mp-581644,Y2Si2O7,-8.9896181283,-3.6795818314,0.0,-0.0300300785,GGA,P-1,A7B2C2_aP132_2_42i_12i_12i:O-Si-Y,132.0,"Invalid WP multiplicities - A7B2C2_aP132_2_82i_23i_23i:O-Si-Y, expected Y23Si23O82 to be Y2Si2O7" +mp-556860,Y2Si2O7,-8.9536154973,-3.6435792004,0.036002631,0.0059725525,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-Si-Y,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_28i_6i_7i:O-Si-Y, expected Y7(Si3O14)2 to be Y2Si2O7" +mp-561531,Y2Si2O7,-8.94264062,-3.6326043231,0.0469775083,0.0169474298,GGA,P2_1/m,A7B2C2_mP22_11_3e2f_2e_ad:O-Si-Y,22.0,"Invalid WP multiplicities - A7B2C2_mP22_11_6e8f_4e_ac:O-Si-Y, expected YSi2O11 to be Y2Si2O7" +mp-561551,Y2Si2O7,-8.9666698864,-3.6566335895,0.0229482419,-0.0070818366,GGA,P2_1/m,A7B2C2_mP22_11_3e2f_2e_f:O-Si-Y,22.0,"Invalid WP multiplicities - A7B2C2_mP22_11_5e7f_4e_f:O-Si-Y, expected Y2Si4O19 to be Y2Si2O7" +mp-5652,Y2Si2O7,-8.9766307782,-3.6665944813,0.0129873501,-0.0170427284,GGA,C2/m,A7B2C2_mC22_12_aij_i_h:O-Si-Y,11.0,A7B2C2_mC22_12_aij_i_h:O-Si-Y +mp-7999,Y2Si2O7,-8.9741883177,-3.6641520209,0.0154298105,-0.014600268,GGA,P2_1/c,A7B2C2_mP22_14_a3e_e_e:O-Si-Y,22.0,A7B2C2_mP22_14_a3e_e_e:O-Si-Y +mp-17404,Y2Si2O7,-8.966293547,-3.6562572502,0.0233245812,-0.0067054973,GGA,Pnma,A7B2C2_oP44_62_3c2d_2c_d:O-Si-Y,44.0,A7B2C2_oP44_62_3c2d_2c_d:O-Si-Y +mp-554420,Y2SiO5,-9.1540709803,-3.7676080037,0.0250136231,0.0032555847,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Si-Y,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_18e_e_2e:O-Si-Y, expected Y2SiO18 to be Y2SiO5" +mp-1179266,Y2SiO5,-9.0668413166,-3.6803783399,0.1122432869,0.0904852484,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-Si-Y,32.0,A5BC2_mP32_14_5e_e_2e:O-Si-Y +mp-3520,Y2SiO5,-9.1790846034,-3.7926216268,0.0,-0.0217580385,GGA,C2/c,A5BC2_mC64_15_5f_f_2f:O-Si-Y,32.0,A5BC2_mC64_15_5f_f_2f:O-Si-Y +mp-1208172,Y5(SiO4)3,-8.8582035233,-3.4597748137,0.2018148663,0.2018148663,GGA,Pnma,A12B3C5_oP80_62_2c5d_cd_c2d:O-Si-Y,80.0,A12B3C5_oP80_62_2c5d_cd_c2d:O-Si-Y +mp-30250,YAgO2,-7.4125167325,-2.6144155977,0.0,-0.010996287,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-O-Y,8.0,AB2C_hP8_194_c_f_a:Ag-O-Y +mp-1091398,YSiAg,-5.4956145689,-0.58749952,0.0,-0.0430785678,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Si-Y,9.0,ABC_hP9_189_f_bc_g:Ag-Si-Y +mp-727913,Y3Si3O11,-8.7991900079,-3.4998404048,0.0715184316,0.0715184316,GGA,P2_1/c,A11B3C3_mP68_14_11e_3e_3e:O-Si-Y,68.0,A11B3C3_mP68_14_11e_3e_3e:O-Si-Y +mp-1369873,YAgO3,-6.923842615,-2.0960239649,0.0795749219,0.0795749219,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ag-O-Y,20.0,AB3C_oP20_62_a_cd_c:Ag-O-Y +mp-1369676,YAgO3,-6.9929489203,-2.1651302703,0.0104686166,0.0104686166,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ag-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Ag-O-Y +mp-1418929,YAgO3,-6.419932356,-1.5921137059,0.5834851809,0.5834851809,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-O-Y,5.0,AB3C_cP5_221_b_c_a:Ag-O-Y +mp-1094009,YAgO3,-6.369843766,-1.5420251159,0.6335737709,0.6335737709,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-O-Y,5.0,AB3C_cP5_221_a_c_b:Ag-O-Y +mp-1094026,Y3AgO5,-8.23311453,-3.0147353189,0.3537179765,0.3537179765,GGA,R3m,AB5C3_hR81_160_3a_6a3b_3b:Ag-O-Y,27.0,AB5C3_hR81_160_3a_6a3b_3b:Ag-O-Y +mp-1187862,YSiO3,-8.15080226,-2.8044312046,0.7363874534,0.7363874534,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-Y,5.0,A3BC_cP5_221_c_b_a:O-Si-Y +mp-1111217,K2RbCrF6,-5.47750659,-3.0451812659,0.0530493418,0.0530493418,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Rb +mp-1203661,KRb2CrF6,-5.5279072076,-3.1085683709,0.0,-0.0293577269,GGA+U,I4/m,AB6CD2_tI100_87_ah_e5hi_bh_di:Cr-F-K-Rb,50.0,AB6CD2_tI100_87_ah_e5hi_bh_di:Cr-F-K-Rb +mp-556264,KRb2CrF6,-5.52757319,-3.1082343533,0.0003340176,-0.0290237093,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Rb +mp-2233515,MgV2In2O8,-7.2169236169,-2.2288490523,0.1797003512,0.1797003512,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:In-Mg-O-V,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:In-Mg-O-V +mp-2218306,MgV2In2O8,-7.2834431062,-2.2953685415,0.1131808619,0.1131808619,GGA+U,P2,A2BC8D2_mP13_3_bd_a_4e_ac:In-Mg-O-V,13.0,A2BC8D2_mP13_3_bd_a_4e_ac:In-Mg-O-V +mp-2233533,MgV2In2O8,-7.1841969077,-2.1961223431,0.2124270604,0.2124270604,GGA+U,P2,A2BC8D2_mP13_3_ab_a_4e_cd:In-Mg-O-V,13.0,A2BC8D2_mP13_3_ad_a_4e_bc:In-Mg-O-V +mp-2218550,MgV2In2O8,-7.0421842369,-2.0541096723,0.3544397312,0.3544397312,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:In-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_ac_b_4ij_i:In-Mg-O-V, expected MgV2In2O12 to be MgV2In2O8" +mp-2226443,MgV2In2O8,-7.2318354785,-2.2437609138,0.1647884896,0.1647884896,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:In-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_3c2de_ab:In-Mg-O-V, expected MgV2In2O12 to be MgV2In2O8" +mp-1110714,K2RbYCl6,-4.47597321,-2.400070906,0.0937488366,0.0937488366,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Rb-Y +mp-1080739,Eu3(SF2)2,-8.5395369867,-3.3517790974,0.0,-0.0523975283,GGA,I4/mmm,A3B4C2_tI18_139_ae_g_e:Eu-F-S,9.0,A3B4C2_tI18_139_ae_g_e:Eu-F-S +mp-21354,EuCuSF,-7.3587276937,-2.2576933677,0.0077356844,0.0077356844,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-S,8.0,ABCD_tP8_129_a_c_b_c:Cu-Eu-F-S +mp-1207897,Y2Hf2(MoO4)7,-8.9230307955,-2.5826678475,0.004652974,0.004652974,GGA+U,C2/c,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Y,78.0,A2B7C28D2_mC156_15_f_e3f_14f_f:Hf-Mo-O-Y +mp-752554,Y2HfO5,-9.8709205366,-3.9179736849,0.0720756873,0.0720756873,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Hf-O-Y,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_19e_3e:Hf-O-Y, expected Y3HfO19 to be Y2HfO5" +mp-753917,Y2HfO5,-9.91407303,-3.9611261784,0.0289231939,0.0289231939,GGA,C2/c,AB5C2_mC32_15_a_e2f_f:Hf-O-Y,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_c_2e4f_f:Hf-O-Y, expected Y2HfO10 to be Y2HfO5" +mp-772823,Y2HfO5,-9.9372552044,-3.9843083528,0.0057410195,0.0057410195,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Hf-O-Y,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_5c:Hf-O-Y, expected Y5HfO17 to be Y2HfO5" +mp-772833,Y2HfO5,-9.9059548178,-3.9530079662,0.0370414061,0.0370414061,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Hf-O-Y,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_17c_5c:Hf-O-Y, expected Y5HfO17 to be Y2HfO5" +mp-755537,Y2HfO5,-9.9417452306,-3.988798379,0.0012509933,0.0012509933,GGA,Cmcm,AB5C2_oC32_63_c_c2f_f:Hf-O-Y,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_2c8f_f:Hf-O-Y, expected Y2HfO18 to be Y2HfO5" +mp-1101177,Y2Hf2O7,-10.0851753,-3.9511624577,0.0472350594,0.0472350594,GGA,C2/m,A2B7C2_mC22_12_i_aij_h:Hf-O-Y,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_a2i2j_h:Hf-O-Y, expected Y2Hf2O13 to be Y2Hf2O7" +mp-771260,Y2Hf2O7,-10.0562397975,-3.9222269552,0.0761705619,0.0761705619,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Hf-O-Y,44.0,"Invalid WP multiplicities - A2B7C2_tP44_92_b_2a23b_b:Hf-O-Y, expected YHfO24 to be Y2Hf2O7" +mp-561442,Y2Hf2O7,-10.1321306436,-3.9981178013,0.0002797158,0.0002797158,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Hf-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a2f_c:Hf-O-Y, expected YHfO7 to be Y2Hf2O7" +mp-12385,Ba2YTaO6,-8.75761453,-3.5733814409,0.0,-0.0593317856,GGA,I4/m,A2B6CD_tI20_87_d_eh_a_b:Ba-O-Ta-Y,10.0,A2B6CD_tI20_87_d_eh_a_b:Ba-O-Ta-Y +mp-6613,Ba2YTaO6,-8.756020122,-3.5717870329,0.001594408,-0.0577373776,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ta-Y +mp-1198818,La3Mo4O16F,-8.5546445579,-2.7525978870000003,0.004615554,0.004615554,GGA+U,P-1,AB3C4D16_aP48_2_i_3i_4i_16i:F-La-Mo-O,48.0,AB3C4D16_aP48_2_i_3i_4i_16i:F-La-Mo-O +mp-1345918,La3Mo4O16F,-6.9445294354,-1.1424827645,1.6147306765,1.6147306765,GGA+U,P-1,AB3C4D16_aP48_2_i_3i_4i_16i:F-La-Mo-O,48.0,AB3C4D16_aP48_2_i_3i_4i_16i:F-La-Mo-O +mp-1066751,Sr2UMn,-4.86119232,1.0969107322,1.1141850004,1.1141850004,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Sr-U,4.0,AB2C_cF16_225_a_c_b:Mn-Sr-U +mp-554843,Sr2UMnO6,-8.4612619695,-3.1100075219,0.1788366625,0.1788366625,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mn-O-Sr-U,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_7e_e_b:Mn-O-Sr-U, expected Sr2UMnO14 to be Sr2UMnO6" +mp-2272170,UMnO4,-9.3130506233,-2.6063539322,0.4623534717,0.4623534717,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Mn-O-U,6.0,AB4C_oC12_65_a_gj_c:Mn-O-U +mp-639978,UMnO4,-9.348029395,-2.6413327038,0.4273747,0.4273747,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Mn-O-U,12.0,AB4C_oI24_74_a_hi_e:Mn-O-U +mp-19173,UMnO4,-9.3654471225,-2.6587504313,0.4099569725,0.4099569725,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Mn-O-U,12.0,AB4C_oI24_74_a_hi_e:Mn-O-U +mp-1211228,Li3Sm2(BO3)3,-7.7864869176,-3.096939001,0.0121047432,0.0121047432,GGA,P2_1/c,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Sm,68.0,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Sm +mp-1211144,LiSm6B3O14,-8.5152491291,-3.5355717563,0.0,-0.0064991783,GGA,P2_1/c,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Sm,96.0,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Sm +mp-1211541,Li6Sm(BO3)3,-7.0580100742,-2.8090365453,0.0,-0.0075056357,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Sm,76.0,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Sm +mp-1227425,BiBPbS4,-5.122763625,-0.7258597052,0.0049324261,0.0049324261,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:B-Bi-Pb-S,14.0,ABCD4_mP14_4_a_a_a_4a:B-Bi-Pb-S +mp-662553,B2Pb2S5,-5.3753888406,-0.7680191721,0.0,-0.0108059608,GGA,P4_12_12,A2B2C5_tP72_92_2b_2b_2a4b:B-Pb-S,72.0,"Invalid WP multiplicities - A2B2C5_tP72_92_10b_11b_8a28b:B-Pb-S, expected B10Pb11S32 to be B2Pb2S5" +mp-23066,Pb5(SI3)2,-3.6216308485,-0.8772975266,0.0251406333,0.0251406333,GGA,C2/m,A6B5C2_mC26_12_3i_a2i_i:I-Pb-S,13.0,"Invalid WP multiplicities - A6B5C2_mC26_12_6i_a3i_i:I-Pb-S, expected Pb7(SI6)2 to be Pb5(SI3)2" +mp-557605,Hg2Pb(SI)2,-2.8260223943,-0.6060737895,0.0197221839,0.0197221839,GGA,P4/mbm,A2B2CD2_tP28_127_j_acg_g_j:Hg-I-Pb-S,28.0,"Invalid WP multiplicities - A2B2CD2_tP28_127_j_2a2c3g_g_j:Hg-I-Pb-S, expected Hg2PbS2I5 to be Hg2Pb(SI)2" +mp-556781,Y3CuGeS7,-6.4796491171,-1.7232493727,0.0,-0.0123463434,GGA,P6_3,ABC7D3_hP24_173_a_b_b2c_c:Cu-Ge-S-Y,24.0,"Invalid WP multiplicities - ABC7D3_hP24_173_a_b_2b9c_c:Cu-Ge-S-Y, expected Y3CuGeS29 to be Y3CuGeS7" +mp-1338522,Y8Cu3(GeS7)3,-6.2528459947,-1.5453054323000002,0.0697857724,0.0697857724,GGA,P2_1,A3B3C21D8_mP70_4_3a_3a_21a_8a:Cu-Ge-S-Y,70.0,"Invalid WP multiplicities - A3B3C21D8_mP70_4_5a_6a_42a_15a:Cu-Ge-S-Y, expected Y15Cu5(GeS7)6 to be Y8Cu3(GeS7)3" +mp-621928,LiEu(SO4)2,-7.28165548,-2.2806276391,0.0,-0.0118686651,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Eu-Li-O-S,24.0,"Invalid WP multiplicities - ABC8D2_tP24_118_c_d_4i_f:Eu-Li-O-S, expected LiEu(SO8)2 to be LiEu(SO4)2" +mp-679987,NbP2S2Cl5,-5.0646384615,-1.2202891528,0.0,-0.00984413,GGA,P2_1/c,A5BC2D2_mP80_14_10e_2e_4e_4e:Cl-Nb-P-S,80.0,"Invalid WP multiplicities - A5BC2D2_mP80_14_39e_6e_11e_13e:Cl-Nb-P-S, expected Nb6P11(SCl3)13 to be NbP2S2Cl5" +mp-561160,NbP4(S2Cl)5,-5.0056702557,-0.8875854040000001,0.0001812092,0.0001812092,GGA,P-1,A5BC4D10_aP40_2_5i_i_4i_10i:Cl-Nb-P-S,40.0,"Invalid WP multiplicities - A5BC4D10_aP40_2_10i_i_7i_20i:Cl-Nb-P-S, expected NbP7(S2Cl)10 to be NbP4(S2Cl)5" +mp-561020,NbP4(SCl)5,-5.0794112453,-0.9674480653,0.00431681,0.00431681,GGA,P2_1/c,A5BC4D5_mP60_14_5e_e_4e_5e:Cl-Nb-P-S,60.0,"Invalid WP multiplicities - A5BC4D5_mP60_14_17e_e_12e_17e:Cl-Nb-P-S, expected NbP12(SCl)17 to be NbP4(SCl)5" +mp-1302394,Li4V3O8,-7.403829765,-2.4397684739,0.0706734639,0.0706734639,GGA+U,P-1,A4B8C3_aP30_2_abeh2i_8i_cf2i:Li-O-V,30.0,"Invalid WP multiplicities - A4B8C3_aP30_2_abeh4i_16i_cf2i:Li-O-V, expected Li6V3O16 to be Li4V3O8" +mp-1314586,Li4V3O8,-7.4057955853,-2.4417342942,0.0687076436,0.0687076436,GGA+U,Pc,A4B8C3_mP30_7_4a_8a_3a:Li-O-V,30.0,"Invalid WP multiplicities - A4B8C3_mP30_7_4a_10a_4a:Li-O-V, expected Li2V2O5 to be Li4V3O8" +mp-1308066,Li4V3O8,-7.4058987877,-2.4418374966,0.0686044413,0.0686044413,GGA+U,Cc,A4B8C3_mC60_9_4a_8a_3a:Li-O-V,30.0,"Invalid WP multiplicities - A4B8C3_mC60_9_4a_12a_6a:Li-O-V, expected Li2V3O6 to be Li4V3O8" +mp-771788,Li4V3O8,-7.3810166103,-2.4169553192,0.0934866186,0.0934866186,GGA+U,R-3,A4B8C3_hR45_148_ad_cf_e:Li-O-V,30.0,A4B8C3_hR45_148_ad_cf_e:Li-O-V +mp-775320,Li4V3O8,-7.407761136,-2.4436998449000003,0.0667420929,0.0667420929,GGA+U,R-3,A4B8C3_hR45_148_abc_cf_d:Li-O-V,30.0,A4B8C3_hR45_148_abc_cf_d:Li-O-V +mp-1177246,Li4V3O8,-7.3989844913,-2.4349232002,0.0755187376,0.0755187376,GGA+U,R-3m,A4B8C3_hR45_166_abc_ch_d:Li-O-V,15.0,"Invalid WP multiplicities - A4B8C3_hR45_166_ab2c_2c2h_d:Li-O-V, expected Li6V3O16 to be Li4V3O8" +mp-756963,Li4V3O8,-7.3065232567,-2.3424619656,0.1679799723,0.1679799723,GGA+U,R-3m,A4B8C3_hR45_166_ad_ch_e:Li-O-V,15.0,"Invalid WP multiplicities - A4B8C3_hR45_166_ad_2c2h_e:Li-O-V, expected Li4V3O16 to be Li4V3O8" +mp-19219,Li3VO4,-6.8280600825,-2.5033813931,0.0,-0.2126495278,GGA+U,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Li-O-V,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_ab_3a2b_a:Li-O-V, expected Li3VO7 to be Li3VO4" +mp-581162,Li3VO4,-6.8253667084,-2.5006880191,0.0026933741,-0.2099561538,GGA+U,Pnma,A3B4C_oP32_62_cd_2cd_c:Li-O-V,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_3c3d_5c4d_c:Li-O-V, expected Li9VO13 to be Li3VO4" +mp-752640,Li3V7O12,-8.2800862582,-2.4312510025,0.081754314,0.081754314,GGA+U,C2,A3B12C7_mC44_5_ac_6c_2a3bc:Li-O-V,22.0,"Invalid WP multiplicities - A3B12C7_mC44_5_ac_11c_2a3b2c:Li-O-V, expected Li3V9O22 to be Li3V7O12" +mp-756397,Li3V6O16,-7.9545951584,-2.3795061824,0.0184689824,0.0184689824,GGA+U,Pm,A3B16C6_mP25_6_2ab_8a8b_3a3b:Li-O-V,25.0,A3B16C6_mP25_6_2ab_8a8b_3a3b:Li-O-V +mp-772492,Li3V12O29,-8.2424234623,-2.3745231426,0.0315367032,0.0315367032,GGA+U,Cm,A3B29C12_mC88_8_3a_29a_12a:Li-O-V,44.0,A3B29C12_mC88_8_3a_29a_12a:Li-O-V +mp-1274319,Li2V3O6,-7.9869021141,-2.4642024586,0.0520625685,0.0520625685,GGA+U,P1,A2B6C3_aP11_1_2a_6a_3a:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_aP11_1_2a_6a_6a:Li-O-V, expected LiV3O3 to be Li2V3O6" +mp-1272908,Li2V3O6,-7.9853634245,-2.462663769,0.0536012581,0.0536012581,GGA+U,P-1,A2B6C3_aP22_2_2i_6i_be2i:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC22_12_i_3i_2a2i:Li-O-V, expected LiV3O3 to be Li2V3O6" +mp-1276577,Li2V3O6,-7.9839859695,-2.461286314,0.0549787131,0.0549787131,GGA+U,P-1,A2B6C3_aP22_2_2i_6i_3i:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_aP22_2_3i_10i_4i:Li-O-V, expected Li3V4O10 to be Li2V3O6" +mp-1286964,Li2V3O6,-7.9865545636,-2.4638549081,0.052410119,0.052410119,GGA+U,P-1,A2B6C3_aP22_2_2i_6i_be2i:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC22_12_i_3i_a2i:Li-O-V, expected Li2V5O6 to be Li2V3O6" +mp-1272159,Li2V3O6,-7.9826975714,-2.4599979158,0.0562671112,0.0562671112,GGA+U,C2,A2B6C3_mC44_5_2c_6c_3a3b:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC44_5_2c_11c_3a3b:Li-O-V, expected Li2V3O11 to be Li2V3O6" +mp-1281163,Li2V3O6,-7.9838567709,-2.4611571154,0.0551079117,0.0551079117,GGA+U,C2,A2B6C3_mC22_5_2a_3c_3b:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC22_5_2a_5c_6b:Li-O-V, expected LiV3O5 to be Li2V3O6" +mp-1274518,Li2V3O6,-7.9772360645,-2.454536409,0.0617286181,0.0617286181,GGA+U,C2,A2B6C3_mC44_5_2c_6c_3a3b:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC44_5_2c_12c_3a3b:Li-O-V, expected Li2V3O12 to be Li2V3O6" +mp-752965,Li2V3O6,-7.9942775991,-2.4715779436,0.0446870835,0.0446870835,GGA+U,C2/m,A2B6C3_mC22_12_i_3i_ai:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC22_12_i_3i_2a2i:Li-O-V, expected LiV3O3 to be Li2V3O6" +mp-762271,Li2V3O6,-7.9848710286,-2.4621713731,0.054093654,0.054093654,GGA+U,C2/m,A2B6C3_mC22_12_h_ij_ag:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC22_12_h_ij_2a2g:Li-O-V, expected LiV3O3 to be Li2V3O6" +mp-1276849,Li2V3O6,-7.9818320382,-2.4591323827,0.0571326444,0.0571326444,GGA+U,C2/m,A2B6C3_mC44_12_j_2i2j_adgh:Li-O-V,22.0,"Invalid WP multiplicities - A2B6C3_mC44_12_j_3i5j_acgh:Li-O-V, expected Li2V3O13 to be Li2V3O6" +mp-704734,Li2V18O39,-8.5151308312,-2.4092153273,0.0421499048,0.0421499048,GGA+U,P1,A2B39C18_aP59_1_2a_39a_18a:Li-O-V,59.0,A2B39C18_aP59_1_2a_39a_18a:Li-O-V +mp-1198472,Li2V18O39,-8.5128912903,-2.4069757864,0.0443894457,0.0443894457,GGA+U,C2/m,A2B39C18_mC118_12_i_a19i_9i:Li-O-V,59.0,A2B39C18_mC118_12_i_a19i_9i:Li-O-V +mp-1106342,Li3VO12,-5.4124493113,-0.7767656109000001,0.4749250856,0.4749250856,GGA+U,P1,A3B12C_aP16_1_3a_12a_a:Li-O-V,16.0,A3B12C_aP16_1_3a_12a_a:Li-O-V +mp-776130,Li2V5O12,-8.1556426271,-2.4399773314,0.0191777211,0.0191777211,GGA+U,Pbcn,A2B12C5_oP76_60_d_6d_c2d:Li-O-V,76.0,"Invalid WP multiplicities - A2B12C5_oP76_60_d_21d_2c3d:Li-O-V, expected LiV4O21 to be Li2V5O12" +mp-766679,Li9V21O40,-8.3053358061,-2.5080517816,0.0135302194,0.0135302194,GGA+U,I-4,A9B40C21_tI140_82_a2g_10g_c5g:Li-O-V,70.0,"Invalid WP multiplicities - A9B40C21_tI140_82_a5g_35g_c18g:Li-O-V, expected Li21V73O140 to be Li9V21O40" +mp-755272,Li3V5O8,-8.0357307756,-2.3657427356,0.0332599622,0.0332599622,GGA+U,R-3m,A3B8C5_hR48_166_d_ch_abe:Li-O-V,16.0,"Invalid WP multiplicities - A3B8C5_hR48_166_d_2c2h_abe:Li-O-V, expected Li3V5O16 to be Li3V5O8" +mp-531342,Li21V20O40,-7.6155607911,-2.4349058522,0.0385698213,0.0385698213,GGA+U,I-4,A21B40C20_tI162_82_a5g_10g_5g:Li-O-V,,"Invalid WP multiplicities - A21B40C20_tI162_82_a16g_35g_17g:Li-O-V, expected Li65V68O140 to be Li21V20O40" +mp-768084,Li8V11O22,-7.9261073144,-2.4621682571,0.0498337772,0.0498337772,GGA+U,P-1,A8B22C11_aP41_2_4i_11i_a5i:Li-O-V,41.0,"Invalid WP multiplicities - A8B22C11_aP41_2_6i_21i_a10i:Li-O-V, expected Li4V7O14 to be Li8V11O22" +mp-773325,Li2V3O8,-7.8371816317,-2.4030990446,0.0415221896,0.0415221896,GGA+U,P2_12_12_1,A2B8C3_oP52_19_2a_8a_3a:Li-O-V,52.0,"Invalid WP multiplicities - A2B8C3_oP52_19_4a_31a_11a:Li-O-V, expected Li4V11O31 to be Li2V3O8" +mp-770899,Li2V3O8,-7.7932260492,-2.3591434621,0.0854777721,0.0854777721,GGA+U,P4bm,A2B8C3_tP26_100_c_abcd_ac:Li-O-V,26.0,"Invalid WP multiplicities - A2B8C3_tP26_100_c_2a2b4c6d_2a2c:Li-O-V, expected LiV3O18 to be Li2V3O8" +mp-772205,Li2V3O8,-7.7904464517,-2.3563638646,0.0882573696,0.0882573696,GGA+U,P4_332,A2B8C3_cP52_212_c_ce_d:Li-O-V,52.0,"Invalid WP multiplicities - A2B8C3_cP52_212_c_8c8e_d:Li-O-V, expected Li2V3O64 to be Li2V3O8" +mp-757293,Li3V8O11,-8.1562614332,-2.119370843,0.201565453,0.201565453,GGA+U,Cm,A3B11C8_mC44_8_3a_11a_8a:Li-O-V,22.0,A3B11C8_mC44_8_3a_11a_8a:Li-O-V +mp-1177632,Li3V8O11,-8.28096062,-2.2440700298,0.0768662662,0.0768662662,GGA+U,C2/m,A3B11C8_mC44_12_ai_b5i_4i:Li-O-V,22.0,"Invalid WP multiplicities - A3B11C8_mC44_12_ai_b8i_6i:Li-O-V, expected Li3V12O17 to be Li3V8O11" +mp-754922,LiV2O4,-8.12216953,-2.4273852655,0.0911258662,0.0911258662,GGA+U,P2/m,AB4C2_mP7_10_c_mn_bd:Li-O-V,7.0,AB4C2_mP7_10_b_mn_ce:Li-O-V +mp-752548,LiV2O4,-8.1470846736,-2.452300409,0.0662107227,0.0662107227,GGA+U,P2_1/m,AB4C2_mP14_11_e_2ef_ae:Li-O-V,14.0,"Invalid WP multiplicities - AB4C2_mP14_11_e_4e2f_2a2e:Li-O-V, expected LiV4O8 to be LiV2O4" +mp-755052,LiV2O4,-8.0930058879,-2.3982216233,0.1202895084,0.1202895084,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Li-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h2i_ce:Li-O-V, expected LiV2O10 to be LiV2O4" +mp-1288227,LiV2O4,-8.2033471214,-2.5085628569,0.0099482748,0.0099482748,GGA+U,Imma,AB4C2_oI28_74_e_hi_ac:Li-O-V,14.0,AB4C2_oI28_74_e_hi_ac:Li-O-V +mp-19394,LiV2O4,-8.1772276079,-2.4824433433,0.0360677884,0.0360677884,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Li-O-V,14.0,AB4C2_cF56_227_a_e_d:Li-O-V +mp-774591,LiV18O44,-8.3760095938,-2.2954772855,0.0336279501,0.0336279501,GGA+U,Pm,AB44C18_mP63_6_a_22a22b_9a9b:Li-O-V,63.0,AB44C18_mP63_6_a_22a22b_9a9b:Li-O-V +mp-1235320,LiV8O16,-8.5106757576,-2.3615881253,0.1308735319,0.1308735319,GGA+U,Pm,AB16C8_mP25_6_a_8c_4c:Li-O-V,25.0,"Invalid WP multiplicities - AB16C8_mP25_6_a_11c_5c:Li-O-V, expected LiV10O22 to be LiV8O16" +mp-762292,Li4V5O10,-7.8541279958,-2.4582275258,0.0488384115,0.0488384115,GGA+U,P1,A4B10C5_aP19_1_4a_10a_5a:Li-O-V,19.0,A4B10C5_aP19_1_4a_10a_5a:Li-O-V +mp-555660,Li2V6O13,-8.2675266267,-2.4280868457,0.0640252406,0.0640252406,GGA+U,C2/m,A2B13C6_mC42_12_i_a6i_3i:Li-O-V,21.0,"Invalid WP multiplicities - A2B13C6_mC42_12_i_a12i_5i:Li-O-V, expected Li2V10O25 to be Li2V6O13" +mp-776279,Li9V19O48,-8.033740835,-2.412483213,0.0255641598,0.0255641598,GGA+U,P1,A9B48C19_aP76_1_9a_48a_19a:Li-O-V,76.0,A9B48C19_aP76_1_9a_48a_19a:Li-O-V +mp-756255,Li8VO6,-5.8121554447,-2.2097940266,0.0275765105,0.0275765105,GGA+U,P-1,A8B6C_aP15_2_4i_3i_a:Li-O-V,60.0,"Invalid WP multiplicities - A8B6C_aP15_2_6i_5i_a:Li-O-V, expected Li12VO10 to be Li8VO6" +mp-1315015,Li8VO6,-5.8113869413,-2.2090255233,0.0283450138,0.0283450138,GGA+U,P-1,A8B6C_aP30_2_8i_6i_bc:Li-O-V,30.0,"Invalid WP multiplicities - A8B6C_aP30_2_14i_11i_bc:Li-O-V, expected Li14VO11 to be Li8VO6" +mp-1176805,Li8VO6,-5.802729858,-2.2003684399,0.0370020972,0.0370020972,GGA+U,R-3,A8B6C_hR45_148_cf_f_a:Li-O-V,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-O-V, expected Li14VO6 to be Li8VO6" +mp-1177934,Li3V8O16,-8.2963381648,-2.4613368115,0.0512808691,0.0512808691,GGA+U,P1,A3B16C8_aP54_1_6a_32a_16a:Li-O-V,54.0,A3B16C8_aP54_1_6a_32a_16a:Li-O-V +mp-758901,LiVO2,-7.6678676715,-2.4463160817,0.0481011072,0.0085918341,GGA+U,P-1,AB2C_aP20_2_b2i_5i_e2i:Li-O-V,20.0,"Invalid WP multiplicities - AB2C_aP20_2_b4i_9i_e3i:Li-O-V, expected Li9V7O18 to be LiVO2" +mp-774467,LiVO2,-7.4004968162,-2.1789452265,0.3154719625,0.2759626894,GGA+U,C2/m,AB2C_mC16_12_i_2i_i:Li-O-V,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_4i_i:Li-O-V, expected LiVO4 to be LiVO2" +mp-1276026,LiVO2,-7.7054092181,-2.4838576283,0.0105595606,-0.0289497125,GGA+U,P2/c,AB2C_mP8_13_e_g_f:Li-O-V,16.0,AB2C_mP8_13_e_g_f:Li-O-V +mp-19340,LiVO2,-7.7159687787,-2.494417189,0.0,-0.0395092731,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Li-O-V,8.0,AB2C_hR12_166_a_c_b:Li-O-V +mp-698647,LiVO2,-7.6802485872,-2.4586969974,0.0357201916,-0.0037890816,GGA+U,P222,AB2C_oP32_16_abchu_ijkl2u_defgu:Li-O-V,32.0,"Invalid WP multiplicities - AB2C_oP32_16_abch4u_i2j2k2l6u_defg2u:Li-O-V, expected Li10V6O19 to be LiVO2" +mp-1282211,LiVO2,-7.6650924519,-2.4435408621,0.0508763269,0.0113670537,GGA+U,Cmc2_1,AB2C_oC16_36_a_2a_a:Li-O-V,16.0,AB2C_hP8_186_b_ab_b:Li-O-V +mp-775331,LiVO2,-7.6891922438,-2.467640654,0.026776535,-0.0127327381,GGA+U,Imma,AB2C_oI16_74_e_2e_e:Li-O-V,16.0,AB2C_oI16_74_e_2e_e:Li-O-V +mp-756894,LiVO2,-7.6399303831,-2.4183787933,0.0760383956,0.0365291225,GGA+U,Imma,AB2C_oI32_74_ae_hi_bc:Li-O-V,16.0,"Invalid WP multiplicities - AB2C_oI32_74_ae_hi_2b2c:Li-O-V, expected LiV2O2 to be LiVO2" +mp-1222393,LiVO2,-7.571799625,-2.3502480352,0.1441691537,0.1046598806,GGA+U,P4/mmm,AB2C_tP4_123_a_bc_d:Li-O-V,4.0,AB2C_tP4_123_a_bc_d:Li-O-V +mp-1283531,LiVO2,-7.69237698,-2.4708253902,0.0235917987,-0.0159174744,GGA+U,I4_1/amd,AB2C_tI16_141_a_e_b:Li-O-V,8.0,AB2C_tI16_141_a_e_b:Li-O-V +mp-1176519,LiVO2,-7.6660381169,-2.4444865271,0.0499306619,0.0104213887,GGA+U,P6_3mc,AB2C_hP8_186_b_ab_b:Li-O-V,16.0,AB2C_hP8_186_b_ab_b:Li-O-V +mp-1180456,LiVO2,-6.5542079825,-1.3326563927,1.1617607963,1.1222515231,GGA+U,P6/mmm,AB2C_hP4_191_a_e_b:Li-O-V,4.0,AB2C_hP4_191_a_e_b:Li-O-V +mp-1176523,LiVO2,-7.7038668525,-2.4823152627,0.0121019263,-0.0274073469,GGA+U,Fd-3m,AB2C_cF64_227_c_e_d:Li-O-V,16.0,AB2C_cF64_227_c_e_d:Li-O-V +mp-762268,Li3V2O6,-7.2860879973,-2.415659542,0.0816516241,0.0816516241,GGA+U,P1,A3B6C2_aP11_1_3a_6a_2a:Li-O-V,11.0,A3B6C2_aP11_1_3a_6a_2a:Li-O-V +mp-752603,Li3V2O6,-7.25123301,-2.3808045548,0.1165066114,0.1165066114,GGA+U,C2/m,A3B6C2_mC22_12_ag_ij_h:Li-O-V,11.0,A3B6C2_mC22_12_ag_ij_h:Li-O-V +mp-1236154,LiV4O10,-8.1857639767,-2.3383350261,0.0396517303,0.0396517303,GGA+U,P1,AB10C4_aP15_1_a_10a_4a:Li-O-V,15.0,AB10C4_aP15_1_a_10a_4a:Li-O-V +mp-776037,LiV4O10,-8.200919515,-2.3534905644,0.024496192,0.024496192,GGA+U,P-1,AB10C4_aP90_2_3i_30i_12i:Li-O-V,90.0,"Invalid WP multiplicities - AB10C4_aP90_2_6i_59i_24i:Li-O-V, expected Li6V24O59 to be LiV4O10" +mp-1232991,LiV4O10,-8.1606628327,-2.3132338821,0.0647528743,0.0647528743,GGA+U,P-1,AB10C4_aP15_2_a_5i_2i:Li-O-V,15.0,AB10C4_aP15_2_a_5i_2i:Li-O-V +mp-761629,Li17V16O32,-7.6153668038,-2.4447787329,0.0235421061,0.0235421061,GGA+U,Cm,A17B32C16_mC130_8_5a6b_8a12b_4a6b:Li-O-V,65.0,"Invalid WP multiplicities - A17B32C16_mC130_8_5a9b_8a23b_4a10b:Li-O-V, expected Li23V24O54 to be Li17V16O32" +mp-1177621,Li3V24O58,-8.3488451324,-2.3412161967,0.0223243624,0.0223243624,GGA+U,P1,A3B58C24_aP85_1_3a_58a_24a:Li-O-V,85.0,A3B58C24_aP85_1_3a_58a_24a:Li-O-V +mp-758647,Li4V11O22,-8.2733994586,-2.4251343266,0.0866321705,0.0866321705,GGA+U,P1,A4B22C11_aP37_1_4a_22a_11a:Li-O-V,37.0,A4B22C11_aP37_1_4a_22a_11a:Li-O-V +mp-763200,LiVO3,-7.509991776,-2.3434127619,0.0845450155,0.0645864905,GGA+U,C2,AB3C_mC20_5_2a_3c_2b:Li-O-V,10.0,AB3C_mC20_5_2a_3c_2b:Li-O-V +mp-754098,LiVO3,-7.483950119,-2.3173711049,0.1105866725,0.0906281475,GGA+U,C2/m,AB3C_mC20_12_ac_3i_i:Li-O-V,10.0,"Invalid WP multiplicities - AB3C_mC20_12_ad_5i_i:Li-O-V, expected LiVO5 to be LiVO3" +mp-1176521,LiVO3,-7.512539812,-2.3459607979,0.0819969795,0.0620384545,GGA+U,C2/m,AB3C_mC20_12_g_ij_h:Li-O-V,10.0,AB3C_mC20_12_g_ij_h:Li-O-V +mp-19373,LiVO3,-7.574862678,-2.4082836639,0.0196741135,-0.0002844115,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Li-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_15_2e_6f_f:Li-O-V, expected LiVO6 to be LiVO3" +mp-19440,LiVO3,-7.5945367915,-2.4279577774,0.0,-0.019958525,GGA+U,C2/c,AB3C_mC40_15_2e_3f_f:Li-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_15_2e_9f_f:Li-O-V, expected LiVO9 to be LiVO3" +mp-766385,Li5V12O32,-8.0107420518,-2.3608333593,0.0123908299,0.0123908299,GGA+U,Cm,A5B32C12_mC98_8_3ab_16a8b_6a3b:Li-O-V,49.0,A5B32C12_mC98_8_3ab_16a8b_6a3b:Li-O-V +mp-1177174,Li4V9O18,-8.1909679858,-2.4351214407,0.081874805,0.081874805,GGA+U,Pbam,A4B18C9_oP62_55_2g_4g5h_a2g2h:Li-O-V,62.0,"Invalid WP multiplicities - A4B18C9_oP62_55_5g_12g20h_2a8g6h:Li-O-V, expected Li5V15O32 to be Li4V9O18" +mp-542050,LiV6O13,-8.4521804967,-2.4162148701,0.0544738243,0.0544738243,GGA+U,P-1,AB13C6_aP40_2_i_13i_6i:Li-O-V,40.0,AB13C6_aP40_2_i_13i_6i:Li-O-V +mp-1409456,LiV6O13,-8.0729641008,-2.0369984741,0.4336902203,0.4336902203,GGA+U,P-1,AB13C6_aP40_2_i_13i_6i:Li-O-V,40.0,AB13C6_aP40_2_i_13i_6i:Li-O-V +mp-505717,LiV6O13,-8.4483014618,-2.4123358351,0.0583528593,0.0583528593,GGA+U,C2/m,AB13C6_mC80_12_i_13i_6i:Li-O-V,40.0,AB13C6_mC80_12_i_13i_6i:Li-O-V +mp-772164,Li2V3O7,-7.9052982165,-2.430599473,0.0697537574,0.0697537574,GGA+U,P31c,A2B7C3_hP72_159_a2bc_7c_3c:Li-O-V,72.0,"Invalid WP multiplicities - A2B7C3_hP72_159_a4b3c_38c_14c:Li-O-V, expected Li7V21O57 to be Li2V3O7" +mp-757773,Li5V5O12,-7.6228020845,-2.4262380292,0.0867713794,0.0867713794,GGA+U,P1,A5B12C5_aP44_1_10a_24a_10a:Li-O-V,44.0,A5B12C5_aP44_1_10a_24a_10a:Li-O-V +mp-758739,Li5V5O12,-7.6492911152,-2.4527270598,0.0602823487,0.0602823487,GGA+U,P1,A5B12C5_aP44_1_10a_24a_10a:Li-O-V,44.0,A5B12C5_aP44_1_10a_24a_10a:Li-O-V +mp-774495,Li3V6O13,-8.0761875289,-2.4154076077,0.089088837,0.089088837,GGA+U,P-1,A3B13C6_aP44_2_3i_ac12i_6i:Li-O-V,44.0,"Invalid WP multiplicities - A3B13C6_aP44_2_6i_ac24i_12i:Li-O-V, expected Li6V12O25 to be Li3V6O13" +mp-542665,Li3V6O13,-8.0814641577,-2.4206842365,0.0838122082,0.0838122082,GGA+U,Cm,A3B13C6_mC44_8_3a_13a_6a:Li-O-V,22.0,A3B13C6_mC44_8_3a_13a_6a:Li-O-V +mp-31372,Li3V6O13,-8.0595751855,-2.3987952643,0.1057011805,0.1057011805,GGA+U,C2/m,A3B13C6_mC44_12_ai_b6i_3i:Li-O-V,22.0,"Invalid WP multiplicities - A3B13C6_mC44_12_ai_b7i_3i:Li-O-V, expected LiV2O5 to be Li3V6O13" +mp-1235567,LiV4O8,-8.2198442331,-2.233839861,0.2690874237,0.2690874237,GGA+U,C2,AB8C4_mC26_5_a_4c_abc:Li-O-V,13.0,"Invalid WP multiplicities - AB8C4_mC26_5_a_6c_abc:Li-O-V, expected LiV4O12 to be LiV4O8" +mp-1210897,LiV4O8,-8.42946746,-2.4434630879,0.0594641968,0.0594641968,GGA+U,C2/m,AB8C4_mC26_12_a_4i_2i:Li-O-V,13.0,AB8C4_mC26_12_a_4i_2i:Li-O-V +mp-1232998,LiV4O8,-8.27586157,-2.2898571979,0.2130700868,0.2130700868,GGA+U,C2/m,AB8C4_mC26_12_b_2ij_aci:Li-O-V,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_4ij_bci:Li-O-V, expected LiV4O12 to be LiV4O8" +mp-1236354,LiV4O8,-8.40935893,-2.4233545579,0.0795727268,0.0795727268,GGA+U,Amm2,AB8C4_oC26_38_a_2cde_abc:Li-O-V,13.0,"Invalid WP multiplicities - AB8C4_oC26_38_a_2c2d2e_abc:Li-O-V, expected LiV4O12 to be LiV4O8" +mp-1222368,LiVMoO6,-7.9035410033,-2.1792508573,0.0254039843,0.0254039843,GGA+U,Cm,ABC6D_mC18_8_a_a_6a_a:Li-Mo-O-V,9.0,ABC6D_mC18_8_a_a_6a_a:Li-Mo-O-V +mp-752821,Li3V5O12,-7.9423151135,-2.4169869393,0.0730399545,0.0730399545,GGA+U,P1,A3B12C5_aP20_1_3a_12a_5a:Li-O-V,20.0,A3B12C5_aP20_1_3a_12a_5a:Li-O-V +mp-1177476,Li3V5O12,-7.946429097,-2.4211009228,0.068925971,0.068925971,GGA+U,P1,A3B12C5_aP20_1_3a_12a_5a:Li-O-V,20.0,A3B12C5_aP20_1_3a_12a_5a:Li-O-V +mp-777675,Li3V5O12,-7.9395801435,-2.4142519693,0.0757749245,0.0757749245,GGA+U,C2,A3B12C5_mC40_5_a2b_6c_a2c:Li-O-V,20.0,"Invalid WP multiplicities - A3B12C5_mC40_5_a2b_12c_a4c:Li-O-V, expected LiV3O8 to be Li3V5O12" +mp-1289331,Li3V5O12,-7.970813258,-2.4454850838,0.04454181,0.04454181,GGA+U,C2,A3B12C5_mC40_5_a2b_6c_a2c:Li-O-V,20.0,A3B12C5_mC40_5_a2b_6c_a2c:Li-O-V +mp-776224,Li3V5O12,-7.9862761189,-2.4609479446,0.0290789491,0.0290789491,GGA+U,P2_1/c,A3B12C5_mP80_14_3e_12e_5e:Li-O-V,80.0,"Invalid WP multiplicities - A3B12C5_mP80_14_9e_43e_14e:Li-O-V, expected Li9V14O43 to be Li3V5O12" +mp-766239,Li7V5O12,-7.3988669658,-2.4762730095,0.0211322475,0.0211322475,GGA+U,P-1,A7B12C5_aP24_2_b3i_6i_d2i:Li-O-V,24.0,"Invalid WP multiplicities - A7B12C5_aP24_2_b6i_12i_d2i:Li-O-V, expected Li13V5O24 to be Li7V5O12" +mp-776654,Li7V5O12,-7.3852752754,-2.4626813191,0.0347239379,0.0347239379,GGA+U,C2,A7B12C5_mC48_5_2ab2c_6c_a2bc:Li-O-V,24.0,"Invalid WP multiplicities - A7B12C5_mC48_5_2ab4c_6c_a2bc:Li-O-V, expected Li11V5O12 to be Li7V5O12" +mp-759692,Li7V5O12,-7.3532743104,-2.4306803541,0.0667249029,0.0667249029,GGA+U,C2/m,A7B12C5_mC48_12_aij_2i2j_dgh:Li-O-V,24.0,"Invalid WP multiplicities - A7B12C5_mC48_12_a2i3j_4i6j_cgh:Li-O-V, expected Li17V5O32 to be Li7V5O12" +mp-1176549,LiV3O6,-8.3684861695,-2.4844088351,0.0250594668,0.0250594668,GGA+U,P1,AB6C3_aP10_1_a_6a_3a:Li-O-V,20.0,"Invalid WP multiplicities - AB6C3_aP10_1_a_6a_6a:Li-O-V, expected LiV6O6 to be LiV3O6" +mp-1443175,LiV3O6,-5.22535197,0.6587253644000001,3.1681936663,3.1681936663,GGA+U,P1,AB6C3_aP10_1_a_6a_3a:Li-O-V,10.0,AB6C3_aP10_1_a_6a_3a:Li-O-V +mp-1222527,LiV3O6,-8.277041683,-2.3929643486,0.1165039533,0.1165039533,GGA+U,C2/m,AB6C3_mC20_12_c_ij_bg:Li-O-V,10.0,"Invalid WP multiplicities - AB6C3_mC20_12_c_2i2j_a2g:Li-O-V, expected LiV5O12 to be LiV3O6" +mp-851075,Li4V5O12,-7.7807752702,-2.4276568725,0.0754434059,0.0754434059,GGA+U,P2_1/c,A4B12C5_mP84_14_4e_12e_5e:Li-O-V,84.0,"Invalid WP multiplicities - A4B12C5_mP84_14_13e_47e_14e:Li-O-V, expected Li13V14O47 to be Li4V5O12" +mp-764746,Li5V7O12,-7.9002439583,-2.3797347351,0.0510727932,0.0510727932,GGA+U,C2,A5B12C7_mC48_5_a2c_6c_2a3bc:Li-O-V,24.0,"Invalid WP multiplicities - A5B12C7_mC48_5_a2c_12c_2a3b2c:Li-O-V, expected Li5V9O24 to be Li5V7O12" +mp-1235037,LiV6O15,-8.2555728841,-2.3186324316,0.0313364564,0.0313364564,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Li-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Li-O-V +mp-1235348,LiV6O15,-8.2456943695,-2.308753917,0.0412149709,0.0412149709,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Li-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Li-O-V +mp-1235427,LiV6O15,-8.2193281555,-2.2823877029,0.067581185,0.067581185,GGA+U,Cm,AB15C6_mC44_8_a_15a_6a:Li-O-V,22.0,AB15C6_mC44_8_a_15a_6a:Li-O-V +mp-776036,LiV6O15,-8.2652912185,-2.328350766,0.0216181219,0.0216181219,GGA+U,P2_1/c,AB15C6_mP88_14_e_15e_6e:Li-O-V,88.0,"Invalid WP multiplicities - AB15C6_mP88_14_e_56e_23e:Li-O-V, expected LiV23O56 to be LiV6O15" +mp-1275559,Li3V4O8,-7.9052643433,-2.4628708387,0.0475680983,0.0475680983,GGA+U,P1,A3B8C4_aP30_1_6a_16a_8a:Li-O-V,30.0,A3B8C4_aP30_1_6a_16a_8a:Li-O-V +mp-1302334,Li3V4O8,-7.909534978,-2.4671414733,0.0432974636,0.0432974636,GGA+U,P-1,A3B8C4_aP15_2_ci_4i_abde:Li-O-V,30.0,"Invalid WP multiplicities - A3B8C4_aP15_2_ci_7i_abde:Li-O-V, expected Li3V4O14 to be Li3V4O8" +mp-1284801,Li3V4O8,-7.9088517363,-2.4664582317,0.0439807053,0.0439807053,GGA+U,C2/m,A3B8C4_mC30_12_bi_2ij_ace:Li-O-V,30.0,"Invalid WP multiplicities - A3B8C4_mC30_12_bi_3i3j_acf:Li-O-V, expected Li3V4O18 to be Li3V4O8" +mp-1289227,Li3V4O8,-7.9077017627,-2.465308258,0.0451306789,0.0451306789,GGA+U,C2/c,A3B8C4_mC60_15_ef_4f_abce:Li-O-V,30.0,"Invalid WP multiplicities - A3B8C4_mC60_15_ef_10f_acd2e:Li-O-V, expected Li3V5O20 to be Li3V4O8" +mp-1307896,Li3V4O8,-7.9078474497,-2.465453945,0.0449849919,0.0449849919,GGA+U,C2/c,A3B8C4_mC60_15_cf_4f_abde:Li-O-V,30.0,"Invalid WP multiplicities - A3B8C4_mC60_15_af_10f_2b2c2de:Li-O-V, expected Li3V7O20 to be Li3V4O8" +mp-35796,Li3V4O8,-7.8720354533,-2.4296419487,0.0807969883,0.0807969883,GGA+U,R-3m,A3B8C4_hR45_166_bc_ch_ad:Li-O-V,15.0,"Invalid WP multiplicities - A3B8C4_hR45_166_b2c_c2h_ad:Li-O-V, expected Li5V4O14 to be Li3V4O8" +mp-755775,Li3V5O14,-7.76055147,-2.2878268833,0.0962131553,0.0962131553,GGA+U,P31m,A3B14C5_hP22_157_c_b2cd_bc:Li-O-V,22.0,"Invalid WP multiplicities - A3B14C5_hP22_157_c_2b5c4d_2b2c:Li-O-V, expected Li3V10O43 to be Li3V5O14" +mp-764771,Li6V5O12,-7.5133486096,-2.4597254754,0.0482586636,0.0482586636,GGA+U,P1,A6B12C5_aP23_1_6a_12a_5a:Li-O-V,23.0,A6B12C5_aP23_1_6a_12a_5a:Li-O-V +mp-760815,Li6V5O12,-7.5128240533,-2.4592009191,0.0487832199,0.0487832199,GGA+U,P1,A6B12C5_aP46_1_12a_24a_10a:Li-O-V,46.0,A6B12C5_aP46_1_12a_24a_10a:Li-O-V +mp-1177023,Li6V5O12,-7.5032570857,-2.4496339515,0.0583501876,0.0583501876,GGA+U,C2,A6B12C5_mC46_5_2a2c_6c_a2bc:Li-O-V,23.0,"Invalid WP multiplicities - A6B12C5_mC46_5_2a4c_11c_a2bc:Li-O-V, expected Li10V5O22 to be Li6V5O12" +mp-774192,Li2VO3,-7.1015785921,-2.4779422692,0.0224510558,0.0224510558,GGA+U,P-1,A2B3C_aP12_2_bei_3i_i:Li-O-V,24.0,A2B3C_aP12_2_bei_3i_i:Li-O-V +mp-861577,Li2VO3,-7.1001610621,-2.4765247392,0.0238685858,0.0238685858,GGA+U,C2/m,A2B3C_mC24_12_aci_3i_i:Li-O-V,24.0,A2B3C_mC24_12_adi_3i_i:Li-O-V +mp-1285988,LiV3O4,-8.4061635481,-2.2877390579,0.0158491489,0.0158491489,GGA+U,P-1,AB4C3_aP16_2_ad_4i_bcefgh:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_aP16_2_ad_6i_bcefgh:Li-O-V, expected LiV3O6 to be LiV3O4" +mp-1278550,LiV3O4,-8.4036464475,-2.2852219573,0.0183662495,0.0183662495,GGA+U,P2/m,AB4C3_mP8_10_b_mn_cdh:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_mP8_10_b_mn_ce2g:Li-O-V, expected LiV4O4 to be LiV3O4" +mp-1273137,LiV3O4,-8.4056199525,-2.2871954623,0.0163927445,0.0163927445,GGA+U,C2/m,AB4C3_mC32_12_e_2ij_abhi:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_mC32_12_e_4ij_abhi:Li-O-V, expected LiV3O6 to be LiV3O4" +mp-1274433,LiV3O4,-8.4038518788,-2.2854273885,0.0181608182,0.0181608182,GGA+U,C2/m,AB4C3_mC16_12_a_bci_di:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_mC16_12_a_bdi_2c2i:Li-O-V, expected LiV6O4 to be LiV3O4" +mp-1288374,LiV3O4,-8.402825105,-2.2844006148,0.019187592,0.019187592,GGA+U,Cmm2,AB4C3_oC32_35_ab_2d2e_ab2c:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_mP16_3_ab_7e_ab2c2d:Li-O-V, expected LiV3O7 to be LiV3O4" +mp-1278428,LiV3O4,-8.3687293481,-2.2503048579,0.0532833489,0.0532833489,GGA+U,Cmmm,AB4C3_oC32_65_ac_ghn_bdm:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_oC32_65_ac_2ghn_bdm:Li-O-V, expected LiV3O5 to be LiV3O4" +mp-1272691,LiV3O4,-8.370796965,-2.2523724748,0.051215732,0.051215732,GGA+U,Immm,AB4C3_oI32_71_ac_efl_bdk:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_oI32_71_ac_2efl_bdk:Li-O-V, expected LiV3O5 to be LiV3O4" +mp-1276591,LiV3O4,-8.3622388156,-2.2438143254,0.0597738814,0.0597738814,GGA+U,I4mm,AB4C3_tI16_107_a_2ab_ab:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_tI16_107_a_2ab_2a2b:Li-O-V, expected LiV6O4 to be LiV3O4" +mp-1275975,LiV3O4,-8.3941540269,-2.2757295367,0.0278586701,0.0278586701,GGA+U,P4/nmm,AB4C3_tP16_129_c_2cf_abc:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_tI16_139_a_ce_2b2d:Li-O-V, expected LiV6O4 to be LiV3O4" +mp-1222538,LiV3O4,-8.396605943800001,-2.2781814535,0.0254067532,0.0254067532,GGA+U,I4/mmm,AB4C3_tI16_139_a_ce_bd:Li-O-V,16.0,"Invalid WP multiplicities - AB4C3_tI16_139_a_ce_2b2d:Li-O-V, expected LiV6O4 to be LiV3O4" +mp-777360,Li13V24O52,-8.0404247967,-2.4218005728,0.0856180239,0.0856180239,GGA+U,P1,A13B52C24_aP89_1_13a_52a_24a:Li-O-V,89.0,A13B52C24_aP89_1_13a_52a_24a:Li-O-V +mp-760797,LiV24O58,-8.4098458648,-2.3034529275,0.0300338386,0.0300338386,GGA+U,P1,AB58C24_aP83_1_a_58a_24a:Li-O-V,83.0,AB58C24_aP83_1_a_58a_24a:Li-O-V +mp-755827,LiV3O8,-8.0395120654,-2.3116661682,0.0357757548,0.0357757548,GGA+U,Pm,AB8C3_mP24_6_2a_8a8b_3a3b:Li-O-V,24.0,AB8C3_mP24_6_2a_8a8b_3a3b:Li-O-V +mp-756858,LiV3O8,-8.0471406433,-2.3192947461,0.0281471769,0.0281471769,GGA+U,Pm,AB8C3_mP24_6_ab_8a8b_3a3b:Li-O-V,24.0,AB8C3_mP24_6_ab_8a8b_3a3b:Li-O-V +mp-763344,LiV3O8,-8.002305025,-2.2744591278,0.0729827952,0.0729827952,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Li-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Li-O-V +mp-753480,LiV3O8,-7.9799704375,-2.2521245403,0.0953173827,0.0953173827,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Li-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Li-O-V +mp-27503,LiV3O8,-8.0722570558,-2.3444111586,0.0030307644,0.0030307644,GGA+U,P2_1/m,AB8C3_mP24_11_e_8e_3e:Li-O-V,24.0,AB8C3_mP24_11_e_8e_3e:Li-O-V +mp-759173,LiV3O8,-7.9937067192,-2.2658608219,0.081581101,0.081581101,GGA+U,P-3m1,AB8C3_hP12_164_a_di_bd:Li-O-V,12.0,"Invalid WP multiplicities - AB8C3_hP12_164_a_d2i_bd:Li-O-V, expected LiV3O14 to be LiV3O8" +mp-1223171,Li19V12O32,-7.2608755029,-2.4422969939,0.0604881436,0.0604881436,GGA+U,Cm,A19B32C12_mC126_8_9a5b_16a8b_6a3b:Li-O-V,63.0,A19B32C12_mC126_8_9a5b_16a8b_6a3b:Li-O-V +mp-779050,Li9V14O35,-7.8947780041,-2.4208280787,0.0556407809,0.0556407809,GGA+U,P2/c,A9B35C14_mP116_13_e4g_f17g_7g:Li-O-V,116.0,"Invalid WP multiplicities - A9B35C14_mP116_13_2e15g_2f67g_27g:Li-O-V, expected Li16V27O68 to be Li9V14O35" +mp-1177493,Li3V3O8,-7.6068072111,-2.4245217468,0.0693207182,0.0693207182,GGA+U,Imm2,A3B8C3_oI28_44_ac_2c2d_bd:Li-O-V,28.0,"Invalid WP multiplicities - A3B8C3_oI28_44_ac_2c2d_2b2d:Li-O-V, expected Li3V6O8 to be Li3V3O8" +mp-1275592,Li2V5O10,-8.2609424703,-2.4548093411,0.0596609151,0.0596609151,GGA+U,P1,A2B10C5_aP17_1_2a_10a_5a:Li-O-V,34.0,"Invalid WP multiplicities - A2B10C5_aP17_1_2a_10a_10a:Li-O-V, expected LiV5O5 to be Li2V5O10" +mp-762287,Li2V5O10,-8.2624731182,-2.4563399891,0.0581302672,0.0581302672,GGA+U,P-1,A2B10C5_aP34_2_2i_10i_ab4i:Li-O-V,34.0,"Invalid WP multiplicities - A2B10C5_aP34_2_3i_15i_ab6i:Li-O-V, expected Li3V7O15 to be Li2V5O10" +mp-1297854,Li2V5O10,-8.2631928838,-2.4570597547,0.0574105016,0.0574105016,GGA+U,P-1,A2B10C5_aP34_2_2i_10i_be4i:Li-O-V,34.0,"Invalid WP multiplicities - A2B10C5_aP34_2_4i_20i_be8i:Li-O-V, expected Li4V9O20 to be Li2V5O10" +mp-1291398,Li2V5O10,-8.2592612909,-2.4531281617,0.0613420945,0.0613420945,GGA+U,P-1,A2B10C5_aP34_2_2i_10i_5i:Li-O-V,34.0,"Invalid WP multiplicities - A2B10C5_aP34_2_4i_20i_9i:Li-O-V, expected Li4V9O20 to be Li2V5O10" +mp-1309309,Li2V5O10,-8.2617413479,-2.4556082188,0.0588620375,0.0588620375,GGA+U,P-1,A2B10C5_aP34_2_2i_10i_5i:Li-O-V,34.0,A2B10C5_aP34_2_4i_20i_10i:Li-O-V +mp-1305526,Li2V5O10,-8.2612281532,-2.4550950241,0.0593752322,0.0593752322,GGA+U,P-1,A2B10C5_aP34_2_2i_10i_be4i:Li-O-V,34.0,"Invalid WP multiplicities - A2B10C5_aP34_2_4i_20i_bc8i:Li-O-V, expected Li4V9O20 to be Li2V5O10" +mp-755630,Li2V6O15,-8.1284636787,-2.3666544256,0.0381320311,0.0381320311,GGA+U,C2/m,A2B15C6_mC46_12_i_a7i_3i:Li-O-V,23.0,A2B15C6_mC46_12_i_a7i_3i:Li-O-V +mp-27751,Li2V6O15,-8.1324601339,-2.3706508808,0.0341355759,0.0341355759,GGA+U,C2/m,A2B15C6_mC46_12_i_a7i_3i:Li-O-V,23.0,A2B15C6_mC46_12_i_a7i_3i:Li-O-V +mp-774411,Li2VO2,-6.611381882,-2.0523560368,0.102808602,0.102808602,GGA+U,P-3m1,A2B2C_hP5_164_d_d_a:Li-O-V,5.0,A2B2C_hP5_164_d_d_a:Li-O-V +mp-762265,Li3V5O10,-8.0592370806,-2.4696156326,0.0515044696,0.0515044696,GGA+U,P-1,A3B10C5_aP18_2_bi_5i_e2i:Li-O-V,36.0,"Invalid WP multiplicities - A3B10C5_aP18_2_bi_5i_2e4i:Li-O-V, expected Li3V10O10 to be Li3V5O10" +mp-767752,Li3V5O10,-8.0424109717,-2.4527895238,0.0683305785,0.0683305785,GGA+U,C2/c,A3B10C5_mC72_15_3e_5f_c2f:Li-O-V,36.0,"Invalid WP multiplicities - A3B10C5_mC72_15_5e_14f_a4f:Li-O-V, expected Li5V9O28 to be Li3V5O10" +mp-555869,LiV2O5,-8.0054260981,-2.4041537778,0.0508821169,0.0437412934,GGA+U,Pmn2_1,AB5C2_oP16_31_a_5a_2a:Li-O-V,16.0,"Invalid WP multiplicities - AB5C2_oP16_31_a_5a_4a:Li-O-V, expected LiV4O5 to be LiV2O5" +mp-557241,LiV2O5,-7.0546164762,-1.4533441559,1.0016917387,0.9945509153,GGA+U,Cmc2_1,AB5C2_oC32_36_a_5a_2a:Li-O-V,32.0,"Invalid WP multiplicities - AB5C2_oC32_36_a_15a_4a:Li-O-V, expected LiV4O15 to be LiV2O5" +mp-18934,LiV2O5,-7.9706290469,-2.3693567265,0.0856791681,0.0785383447,GGA+U,Pmmn,AB5C2_oP16_59_a_b2e_e:Li-O-V,16.0,"Invalid WP multiplicities - AB5C2_oP16_59_a_2b4e_e:Li-O-V, expected LiV2O10 to be LiV2O5" +mp-627993,LiV2O5,-7.9862103094,-2.384937989,0.0700979056,0.0629570822,GGA+U,Pnma,AB5C2_oP32_62_c_c2d_d:Li-O-V,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_3c9d_d:Li-O-V, expected LiV2O21 to be LiV2O5" +mp-777667,LiV2O5,-8.056308215,-2.4550358946,0.0,-0.0071408234,GGA+U,Pnma,AB5C2_oP32_62_a_3cd_2c:Li-O-V,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_a_9c4d_2c:Li-O-V, expected LiV2O17 to be LiV2O5" +mp-19408,LiV2O5,-8.0308860709,-2.4296137506,0.0254221441,0.0182813206,GGA+U,Pnma,AB5C2_oP32_62_c_5c_2c:Li-O-V,32.0,AB5C2_oP32_62_c_5c_2c:Li-O-V +mp-19013,LiV2O5,-7.9981991681,-2.3969268478,0.0581090469,0.0509682234,GGA+U,Cmcm,AB5C2_oC32_63_c_c2f_f:Li-O-V,16.0,"Invalid WP multiplicities - AB5C2_oC32_63_c_c5f_f:Li-O-V, expected LiV2O11 to be LiV2O5" +mp-771611,Li5V4O8,-7.3675125188,-2.3408214422,0.053815585,0.053815585,GGA+U,R3m,A5B8C4_hR51_160_2ab_2a2b_ab:Li-O-V,17.0,"Invalid WP multiplicities - A5B8C4_hR51_160_2a3b_2a3b_ab:Li-O-V, expected Li11V4O11 to be Li5V4O8" +mp-756794,Li5V4O8,-7.3243244253,-2.2976333486,0.0970036785,0.0970036785,GGA+U,F-43m,A5B8C4_cF68_216_ae_2e_e:Li-O-V,17.0,"Invalid WP multiplicities - A5B8C4_cF68_216_a2e_2e_e:Li-O-V, expected Li9V4O8 to be Li5V4O8" +mp-773027,Li5V18O44,-8.1999682066,-2.3684872082,0.037135504,0.037135504,GGA+U,Pm,A5B44C18_mP67_6_2a3b_22a22b_9a9b:Li-O-V,67.0,A5B44C18_mP67_6_2a3b_22a22b_9a9b:Li-O-V +mp-773031,LiV9O22,-8.3192483981,-2.3038974874,0.0452338066,0.0452338066,GGA+U,P2_1/m,AB22C9_mP64_11_e_22e_9e:Li-O-V,64.0,"Invalid WP multiplicities - AB22C9_mP64_11_e_43e_17e:Li-O-V, expected LiV17O43 to be LiV9O22" +mp-767268,LiV9O22,-8.3248245036,-2.3094735928,0.0396577011,0.0396577011,GGA+U,P2_1/m,AB22C9_mP64_11_e_22e_9e:Li-O-V,64.0,"Invalid WP multiplicities - AB22C9_mP64_11_e_43e_17e:Li-O-V, expected LiV17O43 to be LiV9O22" +mp-773021,Li2V12O29,-8.2914180158,-2.331448453,0.0465948085,0.0465948085,GGA+U,C2/m,A2B29C12_mC86_12_i_a14i_6i:Li-O-V,43.0,"Invalid WP multiplicities - A2B29C12_mC86_12_i_a27i_11i:Li-O-V, expected Li2V22O55 to be Li2V12O29" +mp-758538,Li4V7O12,-8.1084993841,-2.4309646671,0.0391548468,0.0391548468,GGA+U,P2_1,A4B12C7_mP46_4_4a_12a_7a:Li-O-V,46.0,A4B12C7_mP46_4_8a_24a_14a:Li-O-V +mp-758440,Li11V16O32,-7.9795543531,-2.4772715155,0.0375123022,0.0375123022,GGA+U,P1,A11B32C16_aP59_1_11a_32a_16a:Li-O-V,59.0,A11B32C16_aP59_1_11a_32a_16a:Li-O-V +mp-762390,LiV5O10,-8.4696818081,-2.4199730376,0.0788661115,0.0788661115,GGA+U,P1,AB10C5_aP16_1_a_10a_5a:Li-O-V,16.0,AB10C5_aP16_1_a_10a_5a:Li-O-V +mp-1222710,LiV5O10,-8.4830469175,-2.4333381469,0.0655010021,0.0655010021,GGA+U,C2,AB10C5_mC32_5_a_5c_2a3b:Li-O-V,16.0,"Invalid WP multiplicities - AB10C5_mC32_5_a_10c_2a3b:Li-O-V, expected LiV5O20 to be LiV5O10" +mp-9209,In2(SO4)3,-6.4701716787,-1.9247021731,0.0028843354,-0.2229354687,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:In-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_2e_14e_3e:In-O-S, expected In2S3O14 to be In2(SO4)3" +mp-541450,In2(SO4)3,-6.4730560141,-1.9275865085,0.0,-0.2258198041,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:In-O-S,34.0,A2B12C3_hR102_148_2c_4f_f:In-O-S +mp-2713787,In2(SO4)3,-6.4556499534,-1.9101804478,0.0174060607,-0.2084137434,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:In-O-S,102.0,A2B12C3_hR102_167_c_2f_e:In-O-S +mp-1213295,CsIn(SO5)2,-5.8375277507,-1.4527511115,0.2831528504,0.2831528504,GGA,C2/c,ABC10D2_mC56_15_e_e_5f_f:Cs-In-O-S,28.0,ABC10D2_mC56_15_e_e_5f_f:Cs-In-O-S +mp-1212128,InSO5,-6.1463999732,-1.6290318085000002,0.1692318852,0.1692318852,GGA,Pnma,AB5C_oP28_62_c_3cd_c:In-O-S,28.0,AB5C_oP28_62_c_3cd_c:In-O-S +mp-22809,KCeSiS4,-5.8343402657,-1.6893966086,0.0,-0.0817410907,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:Ce-K-S-Si,14.0,ABC4D_mP14_4_a_a_4a_a:Ce-K-S-Si +mp-11170,KCeSiS4,-5.8297698621,-1.6848262051,0.0045704036,-0.0771706871,GGA,P2_1/m,ABC4D_mP14_11_e_e_2ef_e:Ce-K-S-Si,14.0,ABC4D_mP14_11_e_e_2ef_e:Ce-K-S-Si +mp-38077,KCe5S8,-6.7746454,-2.2126851388,0.0376236079,0.0376236079,GGA,I-4,A5BC8_tI28_82_ag_c_2g:Ce-K-S,14.0,"Invalid WP multiplicities - A5BC8_tI28_82_a2g_c_4g:Ce-K-S, expected KCe9S16 to be KCe5S8" +mp-7329,KCeS2,-5.8840150175,-2.0549180586,0.0,-0.1392320525,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-K-S,4.0,ABC2_hR12_166_a_b_c:Ce-K-S +mp-1283235,Cr2NiO4,-8.4441991693,-2.0337725314,0.0077713464,0.0053986999999999,GGA+U,C2,A2BC4_mC28_5_abc_c_4c:Cr-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_ad2e_i_4i3j:Cr-Ni-O, expected Cr3NiO10 to be Cr2NiO4" +mp-1271107,Cr2NiO4,-8.4519705157,-2.0415438779,0.0,-0.0023726464,GGA+U,Cc,A2BC4_mC28_9_2a_a_4a:Cr-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_9_3a_a_8a:Cr-Ni-O, expected Cr3NiO8 to be Cr2NiO4" +mp-1271164,Cr2NiO4,-8.4415916614,-2.0311650236,0.0103788543,0.0080062079,GGA+U,Ima2,A2BC4_oI28_46_ab_b_2bc:Cr-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_46_2ab_b_4b3c:Cr-Ni-O, expected Cr3NiO10 to be Cr2NiO4" +mp-19303,Cr2NiO4,-8.4418102493,-2.0313836114,0.0101602664,0.00778762,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_2a2c_e_5f:Cr-Ni-O, expected Cr4NiO10 to be Cr2NiO4" +mp-19344,Cr2NiO4,-8.4450432764,-2.0346166386,0.0069272393,0.0045545929,GGA+U,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Ni-O,14.0,A2BC4_tI28_141_c_b_h:Cr-Ni-O +mp-18551,Cr3BO6,-9.0039176872,-2.4720510424,0.0220655068,0.0220655068,GGA+U,Pnma,AB3C6_oP40_62_c_cd_2c2d:B-Cr-O,40.0,"Invalid WP multiplicities - AB3C6_oP40_62_c_cd_2c3d:B-Cr-O, expected Cr3BO8 to be Cr3BO6" +mp-19299,CrBO3,-8.855383028,-2.6208819531,0.0,-0.0377965373,GGA+U,R-3c,ABC3_hR30_167_a_b_e:B-Cr-O,10.0,ABC3_hR30_167_a_b_e:B-Cr-O +mp-1226349,Cr3NiB6,-7.843229198,-0.3616662265,0.0414963024,0.0414963024,GGA,Amm2,A6B3C_oC20_38_3a3b_a2b_a:B-Cr-Ni,10.0,A6B3C_oC20_38_3a3b_a2b_a:B-Cr-Ni +mp-1226092,Cr2(NiB2)3,-7.2999774827,-0.3251724277,0.026828243,0.026828243,GGA,Amm2,A6B2C3_oC22_38_2a4b_2a_a2b:B-Cr-Ni,11.0,A6B2C3_oC22_38_2a4b_2a_a2b:B-Cr-Ni +mp-1213761,CrNi2BO5,-7.8899129642,-2.04256228,0.0,-0.0401101625,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:B-Cr-Ni-O,36.0,ABC2D5_oP36_55_g_g_adh_3g2h:B-Cr-Ni-O +mp-18726,CrNiO4,-7.4079628308,-1.5379729983,0.0,-0.0918608362,GGA+U,Cmcm,ABC4_oC24_63_c_a_fg:Cr-Ni-O,12.0,ABC4_oC24_63_c_a_fg:Cr-Ni-O +mp-776211,Cr3(NiO6)2,-7.2343506546,-1.3590753425,0.0931738183,0.0931738183,GGA+U,P2_1/c,A3B2C12_mP68_14_3e_2e_12e:Cr-Ni-O,68.0,"Invalid WP multiplicities - A3B2C12_mP68_14_11e_3e_43e:Cr-Ni-O, expected Cr11Ni3O43 to be Cr3(NiO6)2" +mp-635469,CeCuSO,-7.0305857025,-2.2517271017,0.0653783144,0.0653783144,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ce-Cu-O-S,8.0,ABCD_tP8_129_c_a_b_c:Ce-Cu-O-S +mp-1213478,Cu7S2O21,-5.450232748,-0.7553057693,0.1961947551,0.1961947551,GGA,P-3,A7B21C2_hP30_147_ag_bd3g_d:Cu-O-S,30.0,A7B21C2_hP30_147_ag_bd3g_d:Cu-O-S +mp-1213467,CuSO7,-5.2541562783,-0.4916587766,0.5150834971,0.5150834971,GGA,Cc,AB7C_mC36_9_a_7a_a:Cu-O-S,18.0,AB7C_mC36_9_a_7a_a:Cu-O-S +mp-1226848,Ce4Cu3(SO)4,-7.29574784,-2.4715791105,0.0,-0.0029614635,GGA,I-42m,A4B3C4D4_tI30_121_i_ac_de_i:Ce-Cu-O-S,15.0,A4B3C4D4_tI30_121_i_ac_de_i:Ce-Cu-O-S +mp-1192919,CuSO9,-5.1265740632,-0.3305872506,0.4931109733,0.4931109733,GGA,P-1,AB9C_aP22_2_bc_9i_i:Cu-O-S,22.0,AB9C_aP22_2_bc_9i_i:Cu-O-S +mp-1197335,Cu4SO10,-5.6352778062,-0.9686002289,0.0523913276,0.0523913276,GGA,P2_1/c,A4B10C_mP60_14_4e_10e_e:Cu-O-S,60.0,A4B10C_mP60_14_4e_10e_e:Cu-O-S +mp-1198566,Cu4SO10,-5.6289224775,-0.9622449002,0.0587466563,0.0587466563,GGA,P2_1/c,A4B10C_mP60_14_4e_10e_e:Cu-O-S,60.0,A4B10C_mP60_14_4e_10e_e:Cu-O-S +mp-1104691,CuSO5,-5.9027293064,-1.1928578646,0.1015250588,0.1015250588,GGA,P-1,AB5C_aP14_2_ab_5i_i:Cu-O-S,14.0,AB5C_aP14_2_ab_5i_i:Cu-O-S +mp-1192555,Cu5(SO9)2,-5.423627682,-0.7112544866,0.2637676659,0.2637676659,GGA,P-1,A5B18C2_aP25_2_abci_9i_i:Cu-O-S,25.0,A5B18C2_aP25_2_abci_9i_i:Cu-O-S +mp-20525,CuSO4,-6.1805153075,-1.5101134105,0.0,-0.0805754274,GGA,Pnma,AB4C_oP24_62_a_2cd_c:Cu-O-S,24.0,AB4C_oP24_62_a_2cd_c:Cu-O-S +mp-4386,Cu2SO5,-5.9886411481,-1.3551028027,0.0133400275,0.0133400275,GGA,C2/m,A2B5C_mC32_12_ei_3ij_i:Cu-O-S,16.0,A2B5C_mC32_12_ei_3ij_i:Cu-O-S +mp-1202614,Cu3SO8,-5.7383000213,-1.071001724,0.0315101415,0.0315101415,GGA,Pnma,A3B8C_oP48_62_cd_4c2d_c:Cu-O-S,48.0,A3B8C_oP48_62_cd_4c2d_c:Cu-O-S +mp-1198520,Cu4SO12,-5.3454708309,-0.6458507672,0.2550241355,0.2550241355,GGA,Pc,A4B12C_mP34_7_4a_12a_a:Cu-O-S,34.0,A4B12C_mP34_7_4a_12a_a:Cu-O-S +mp-1213871,Ce2CuS2O,-5.823854815,-0.9596925775,1.4403194858,1.4403194858,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ce-Cu-O-S,6.0,A2BCD2_tP6_123_g_a_b_g:Ce-Cu-O-S +mp-768512,Cu2(SO4)3,-6.1505229784,-1.4465213622,0.0169679787,-0.0091687562,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Cu-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Cu-O-S, expected Cu3S11O43 to be Cu2(SO4)3" +mp-768507,Cu2(SO4)3,-6.1460003029,-1.4419986867,0.0214906541,-0.0046460807,GGA,C2/c,A2B12C3_mC68_15_f_6f_ef:Cu-O-S,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_21f_e2f:Cu-O-S, expected Cu2S5O42 to be Cu2(SO4)3" +mp-851127,Cu2(SO4)3,-6.106718056,-1.4027164397,0.0607729011,0.0346361663,GGA,Pbca,A2B12C3_oP136_61_2c_12c_3c:Cu-O-S,136.0,"Invalid WP multiplicities - A2B12C3_oP136_61_5c_45c_9c:Cu-O-S, expected Cu5(SO5)9 to be Cu2(SO4)3" +mp-768451,Cu2(SO4)3,-6.1674909571,-1.4634893408,0.0,-0.0261367348,GGA,R-3,A2B12C3_hR102_148_2c_4f_f:Cu-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_19f_f:Cu-O-S, expected CuSO19 to be Cu2(SO4)3" +mp-683170,Cu2SO4,-5.8387587871,-1.2499562083,0.044426715,0.044426715,GGA,P-1,A2B4C_aP14_2_2i_4i_i:Cu-O-S,14.0,A2B4C_aP14_1_4a_8a_2a:Cu-O-S +mp-28491,Cu2SO4,-5.8595121329,-1.270709554,0.0236733693,0.0236733693,GGA,Fddd,A2B4C_oF56_70_e_h_a:Cu-O-S,14.0,A2B4C_oF56_70_e_h_a:Cu-O-S +mp-1179359,Sr(CO2)2,-7.854326054599999,-2.1495290142,0.1589561223,0.1589561223,GGA,P2_12_12_1,A2B4C_oP28_19_2a_4a_a:C-O-Sr,28.0,A2B4C_oP28_19_2a_4a_a:C-O-Sr +mp-1193254,Sr(CO2)2,-7.4639426789,-1.7591456385000002,0.549339498,0.549339498,GGA,P2_12_12_1,A2B4C_oP28_19_2a_4a_a:C-O-Sr,28.0,A2B4C_oP28_19_2a_4a_a:C-O-Sr +mp-1194216,Sr(CO2)2,-7.4717838579,-1.7669868174,0.5414983191,0.5414983191,GGA,P2_12_12_1,A2B4C_oP28_19_2a_4a_a:C-O-Sr,28.0,A2B4C_oP28_19_2a_4a_a:C-O-Sr +mp-33746,SrCO3,-7.816263382,-2.6646183661,0.0361576455,-0.37132121,GGA,C2/m,AB3C_mC20_12_i_ij_ac:C-O-Sr,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_2i2j_ac:C-O-Sr, expected SrCO6 to be SrCO3" +mp-3822,SrCO3,-7.8524210275,-2.7007760116,0.0,-0.4074788555,GGA,Pnma,AB3C_oP20_62_c_cd_c:C-O-Sr,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_c2d_c:C-O-Sr, expected SrCO5 to be SrCO3" +mp-1218370,SrCO3,-7.82071605,-2.6690710341,0.0317049775,-0.375773878,GGA,R32,AB3C_hR15_155_a_d_b:C-O-Sr,5.0,AB3C_hR15_155_a_d_b:C-O-Sr +mp-38035,SrCO3,-7.82919642,-2.6775514041,0.0232246075,-0.384254248,GGA,R-3c,AB3C_hR30_167_a_e_b:C-O-Sr,10.0,AB3C_hR30_167_a_e_b:C-O-Sr +mp-1214273,C3Br2O,-6.2966226117,-0.3401656369,0.2205731424,0.2205731424,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Br-C-O,24.0,A2B3C_mP24_14_2e_3e_e:Br-C-O +mp-1208667,SrC2O5,-7.3435854131,-1.7335519138,0.6183120678,0.6183120678,GGA,C2/m,A2B5C_mC32_12_gi_3ij_i:C-O-Sr,16.0,A2B5C_mC32_12_gi_3ij_i:C-O-Sr +mp-1209218,SrC6(BrO4)2,-6.3970097797,-0.5298890292,1.1717180126,1.1717180126,GGA,C2/m,A2B6C8D_mC68_12_j_3j_g3i2j_i:Br-C-O-Sr,34.0,A2B6C8D_mC68_12_j_3j_g3i2j_i:Br-C-O-Sr +mp-1201853,SrC3O7,-7.6519690418,-1.8335771409,0.3596904634,0.3596904634,GGA,P2_1/c,A3B7C_mP44_14_3e_7e_e:C-O-Sr,44.0,A3B7C_mP44_14_3e_7e_e:C-O-Sr +mp-1202303,Sr(CO2)3,-7.8348595395,-1.9292973197,0.2177454554,0.2177454554,GGA,P2_1/c,A3B6C_mP40_14_3e_6e_e:C-O-Sr,40.0,A3B6C_mP40_14_3e_6e_e:C-O-Sr +mp-18990,Ba2Mn(BO2)6,-8.3089607985,-2.9548379255,0.0,-0.0008174021,GGA+U,R-3,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Mn-O,84.0,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Mn-O +mp-773430,NbV2O7,-8.8769093765,-2.5873155606,0.058496739,0.058496739,GGA+U,Pa-3,AB7C2_cP40_205_a_bd_c:Nb-O-V,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_2b2d_c:Nb-O-V, expected NbV2O14 to be NbV2O7" +mp-1210227,Nb9V2O25,-9.2243419589,-2.7591537566,0.2093195835,0.2093195835,GGA+U,I4/m,A9B25C2_tI72_87_a2h_b6h_d:Nb-O-V,36.0,A9B25C2_tI72_87_a2h_b6h_d:Nb-O-V +mp-753925,Nb4VO12,-9.2891804112,-2.8862750721,0.0510760142,0.0510760142,GGA+U,P1,A4B12C_aP17_1_4a_12a_a:Nb-O-V,34.0,A4B12C_aP17_1_4a_12a_a:Nb-O-V +mp-774246,Nb9VO25,-9.36211575,-2.9717480583,0.0,-0.0003782045,GGA+U,I-4,A9B25C_tI70_82_a2g_b6g_c:Nb-O-V,35.0,"Invalid WP multiplicities - A9B25C_tI70_82_a5g_b19g_c:Nb-O-V, expected Nb21VO77 to be Nb9VO25" +mp-776661,NbV3O10,-8.6225757307,-2.421153562,0.0820082596,0.0820082596,GGA+U,P-4m2,AB10C3_tP14_115_a_gjk_bg:Nb-O-V,14.0,"Invalid WP multiplicities - AB10C3_tP14_115_a_2g2j2k_bg:Nb-O-V, expected NbV3O20 to be NbV3O10" +mp-1576362,NbV3O8,-8.9794680317,-2.56892362,0.0877864097,0.0877864097,GGA+U,P1,AB8C3_aP24_1_2a_16a_6a:Nb-O-V,24.0,AB8C3_aP24_1_2a_16a_6a:Nb-O-V +mp-755814,NbV3O8,-9.0476120542,-2.6370676425,0.0196423872,0.0196423872,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Nb-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Nb-O-V +mp-1101449,NbV3O8,-8.9811130092,-2.5705685975,0.0861414322,0.0861414322,GGA+U,Cc,AB8C3_mC48_9_a_8a_3a:Nb-O-V,24.0,"Invalid WP multiplicities - AB8C3_mC48_9_a_14a_5a:Nb-O-V, expected NbV5O14 to be NbV3O8" +mp-770930,NbV3O8,-8.976411045,-2.5658666333,0.0908433964,0.0908433964,GGA+U,Cmc2_1,AB8C3_oC48_36_a_4a2b_ab:Nb-O-V,24.0,"Invalid WP multiplicities - AB8C3_oC48_36_a_6a6b_a2b:Nb-O-V, expected NbV5O18 to be NbV3O8" +mp-771882,NbVO5,-8.9880156071,-2.7139220834,0.0024709614,-0.0452040073,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Nb-O-V,56.0,"Invalid WP multiplicities - AB5C_mP56_14_3e_37e_7e:Nb-O-V, expected Nb3V7O37 to be NbVO5" +mp-753993,NbVO5,-8.9904865686,-2.7163930448,0.0,-0.0476749687,GGA+U,Pnma,AB5C_oP28_62_c_a2cd_c:Nb-O-V,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_2a6c4d_c:Nb-O-V, expected NbVO16 to be NbVO5" +mp-755692,NbVO5,-8.9613089671,-2.6872154434,0.0291776014,-0.0184973673,GGA+U,P4/n,AB5C_tP14_85_c_cg_a:Nb-O-V,14.0,"Invalid WP multiplicities - AB5C_tP14_85_c_2c3g_a:Nb-O-V, expected NbVO14 to be NbVO5" +mp-2236644,NbVO5,-8.9615382171,-2.6874446934,0.0289483514,-0.0187266173,GGA+U,P4/nmm,AB5C_tP14_129_c_ci_a:Nb-O-V,14.0,"Invalid WP multiplicities - AB5C_tP14_129_c_2c3i_a:Nb-O-V, expected NbVO14 to be NbVO5" +mp-1195415,RbNbV2O8,-8.3309892679,-2.595725856,0.0,-0.0041479585,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Rb-V,48.0,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Rb-V +mp-1281117,NbVO4,-9.3007260696,-2.8053984104,0.0214644012,0.0214644012,GGA+U,P1,AB4C_aP24_1_4a_16a_4a:Nb-O-V,24.0,AB4C_aP24_1_4a_16a_4a:Nb-O-V +mp-2635564,NbVO4,-9.30567388,-2.8103462208,0.0165165908,0.0165165908,GGA+U,C2,AB4C_mC12_5_a_2c_b:Nb-O-V,6.0,AB4C_aP6_1_a_4a_a:Nb-O-V +mp-772033,NbVO4,-9.2554586746,-2.7601310154,0.0667317962,0.0667317962,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Nb-O-V,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_9d_c:Nb-O-V, expected NbVO18 to be NbVO4" +mp-1101445,NbVO4,-9.256185645,-2.7608579858,0.0660048258,0.0660048258,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-V,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_3f_e:Nb-O-V, expected NbVO6 to be NbVO4" +mp-1272458,NbVO4,-9.3020459354,-2.8067182763,0.0201445353,0.0201445353,GGA+U,C222_1,AB4C_oC24_20_a_2c_b:Nb-O-V,24.0,AB4C_oC24_20_a_2c_b:Nb-O-V +mp-753679,NbVO4,-9.3153224292,-2.81999477,0.0068680416,0.0068680416,GGA+U,Cmm2,AB4C_oC12_35_a_de_b:Nb-O-V,24.0,AB4C_oC12_35_a_de_b:Nb-O-V +mp-772403,NbVO4,-9.3185159146,-2.8231882554,0.0036745562,0.0036745562,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Nb-O-V,24.0,AB4C_oP24_60_c_2d_c:Nb-O-V +mp-1101448,NbVO4,-9.3100878325,-2.8147601733,0.0121026383,0.0121026383,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Nb-O-V,12.0,AB4C_oC12_65_a_gj_c:Nb-O-V +mp-756605,NbVO4,-9.2452776308,-2.7499499717,0.0769128399,0.0769128399,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Nb-O-V,12.0,AB4C_tI24_88_a_f_b:Nb-O-V +mp-754611,NbVO4,-9.2964161183,-2.8010884592,0.0257743524,0.0257743524,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Nb-O-V,6.0,"Invalid WP multiplicities - AB4C_tI12_119_a_2e2f_c:Nb-O-V, expected NbVO8 to be NbVO4" +mp-1042974,VZnAs2O7,-6.7958834152000005,-1.8605463726,0.0613942991,0.0613942991,GGA+U,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:As-O-V-Zn,44.0,A2B7CD_mP44_14_2e_7e_e_e:As-O-V-Zn +mp-1041710,V3Zn3(AsO4)4,-6.7611354058,-1.8067337888,0.1829265493,0.1829265493,GGA+U,P2_1/c,A4B16C3D3_mP52_14_2e_8e_ae_de:As-O-V-Zn,52.0,"Invalid WP multiplicities - A4B16C3D3_mP52_14_5e_29e_ae_de:As-O-V-Zn, expected V3Zn3(As5O29)2 to be V3Zn3(AsO4)4" +mp-1355262,VZnAsO5,-6.9495432606000005,-1.9825168055,0.0410619893,0.0410619893,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:As-O-V-Zn,32.0,AB5CD_oP32_19_a_5a_a_a:As-O-V-Zn +mp-1112690,Cs2KYCl6,-4.564491198,-2.5186017216,0.0,-0.0074348407,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-K-Y +mp-1112256,K2ScAuF6,-5.317792536,-2.9881902556,0.1890655372,0.1890655372,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Sc +mp-1110850,K2NdAgF6,-5.228941171,-3.0999036575,0.124782431,0.124782431,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Nd +mp-1111958,K2HgIrF6,-4.381332581,-2.0981539566,0.1511838075,0.1511838075,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-Ir-K,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-Ir-K +mp-1113055,Cs2KBiI6,-2.912708196,-1.3545191039,0.040625798,0.040625798,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-K,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-I-K +mp-17853,YGaO3,-8.0020571523,-3.1351304984,0.0269327282,0.0269327282,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ga-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Ga-O-Y +mp-1207946,Y3In2(GaO4)3,-7.5431988899,-2.8758322198,0.0,-0.0048281075,GGA,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ga-In-O-Y,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ga-In-O-Y +mp-554722,Y3GaO6,-8.772628107,-3.561863944,0.0050093962,0.0050093962,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Ga-O-Y,20.0,"Invalid WP multiplicities - AB6C3_oC40_36_a_4a8b_a2b:Ga-O-Y, expected Y5GaO20 to be Y3GaO6" +mp-5444,Y3Ga5O12,-7.6546660693,-2.9596581699,0.0,-0.0408702847,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Ga-O-Y,80.0,A5B12C3_cI160_230_ad_h_c:Ga-O-Y +mp-769409,Y4Ga2O9,-8.5083679078,-3.4122162479,0.0197203878,0.0197203878,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Ga-O-Y,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_7e_35e_11e:Ga-O-Y, expected Y11(GaO5)7 to be Y4Ga2O9" +mp-769481,Y4Ga2O9,-8.5074250957,-3.4112734357,0.0206631999,0.0206631999,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Ga-O-Y,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_3e_35e_13e:Ga-O-Y, expected Y13Ga3O35 to be Y4Ga2O9" +mp-769480,Y4Ga2O9,-8.4549805198,-3.3588288599,0.0731077758,0.0731077758,GGA,Pbcn,A2B9C4_oP60_60_d_c4d_2d:Ga-O-Y,60.0,"Invalid WP multiplicities - A2B9C4_oP60_60_d_2c14d_5d:Ga-O-Y, expected Y5GaO15 to be Y4Ga2O9" +mp-726669,GePClO2,-5.960182152,-1.6045332632,0.1725327294,0.1725327294,GGA,Pnma,ABC2D_oP20_62_c_c_d_c:Cl-Ge-O-P,20.0,ABC2D_oP20_62_c_c_d_c:Cl-Ge-O-P +mp-1212555,Ge19(PCl)4,-4.6208120856,-0.291742237,0.0,-0.0287263383,GGA,P-43n,A4B19C4_cP54_218_ac_dei_e:Cl-Ge-P,54.0,A4B19C4_cP54_218_ac_dei_e:Cl-Ge-P +mp-1047756,Al(WF5)3,-6.5538543724,-2.801635897,0.0877806537,0.0877806537,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-W,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-W, expected Al(WF9)6 to be Al(WF5)3" +mp-1044860,Ba2AlW2F11,-6.5207546881,-3.1128762623,0.2749367502,0.2749367502,GGA+U,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-W,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-W, expected Ba5AlW5F31 to be Ba2AlW2F11" +mp-1040871,Ba2W2F11,-6.5537409249,-3.1683756594,0.0566126834,0.0566126834,GGA+U,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-W,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-W, expected Ba5W5F31 to be Ba2W2F11" +mp-1262038,AlWF5,-6.5442925486,-2.7927067061,0.3574435207,0.3574435207,GGA+U,Immm,AB5C_oI14_71_a_ceg_b:Al-F-W,7.0,AB5C_oI14_71_a_ceg_b:Al-F-W +mp-1047945,BaWF7,-6.3841345122,-3.2444169631,0.0,-0.0331410942,GGA+U,P2_1/c,AB7C_mP36_14_e_7e_e:Ba-F-W,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_23e_e:Ba-F-W, expected BaWF23 to be BaWF7" +mp-1246471,Ba3Ir3N5,-7.0471463309,-0.323991605,0.2092592977,0.2092592977,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ba-Ir-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ba-Ir-N +mp-1247287,Ba2IrN3,-6.6591586921,-0.3781805529,0.2230000446,0.2230000446,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ba-Ir-N,24.0,"Invalid WP multiplicities - A2BC3_oC48_64_2f_f_2e2f:Ba-Ir-N, expected Ba2IrN4 to be Ba2IrN3" +mp-1246673,Ba3(IrN2)2,-6.5067848689000005,-0.1979212156,0.3526888761,0.3526888761,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-Ir-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-Ir-N +mp-1247183,Ba3(IrN2)2,-6.5601530592,-0.2512894058,0.2993206858,0.2993206858,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ba-Ir-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ba-Ir-N +mp-1229018,Ba3Ir2(NO2)12,-5.7957115824,0.1114167432,1.3943483774,1.3943483774,GGA,P-4m2,A3B2C12D24_tP41_115_abc_g_2gl_jk2l:Ba-Ir-N-O,41.0,"Invalid WP multiplicities - A3B2C12D24_tP41_115_abc_g_4g2l_4j4k15l:Ba-Ir-N-O, expected Ba3Ir2(N3O19)8 to be Ba3Ir2(NO2)12" +mp-1245380,Ba4Ir3N7,-6.8911549746,-0.2806787764,0.2996381004,0.2996381004,GGA,P2/c,A4B3C7_mP56_13_ef3g_3g_af6g:Ba-Ir-N,56.0,A4B3C7_mP56_13_ef3g_3g_af6g:Ba-Ir-N +mp-1246507,Ba4IrN4,-5.9702265033,-0.4301916544,0.1613169759,0.1613169759,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ba-Ir-N,18.0,A4BC4_aP18_2_4i_i_4i:Ba-Ir-N +mp-1029626,Ba3IrN3,-6.2357236421,-0.5778888171000001,0.0,-0.03002198,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ba-Ir-N,14.0,A3BC3_hP14_176_h_c_h:Ba-Ir-N +mp-1247077,BaIrN2,-7.1382341481000005,-0.2806344056,0.2840346806,0.2840346806,GGA,Cmce,ABC2_oC32_64_f_f_ef:Ba-Ir-N,16.0,ABC2_oC32_64_f_f_ef:Ba-Ir-N +mp-560671,Rb2NaVF6,-5.553081663,-3.1694443317,0.0,-0.1021837328,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-V +mp-542079,K3La(PSe4)2,-4.5588628305,-1.1973556319,0.0,-0.0012309484,GGA,P2_1/c,A3BC2D8_mP56_14_3e_e_2e_8e:K-La-P-Se,56.0,A3BC2D8_mP56_14_3e_e_2e_8e:K-La-P-Se +mp-542078,K2LaP2Se7,-4.7159765252,-1.1780773289,0.0,-0.0059306702,GGA,P2_1/c,A2BC2D7_mP48_14_2e_e_2e_7e:K-La-P-Se,48.0,A2BC2D7_mP48_14_2e_e_2e_7e:K-La-P-Se +mp-1223693,K8La(PSe4)4,-4.2278764166,-1.0759111631,0.0445372912,0.0445372912,GGA,I222,A8BC4D16_oI58_23_efk_a_k_4k:K-La-P-Se,29.0,A8BC4D16_oI58_23_efk_a_k_4k:K-La-P-Se +mp-571662,KLa(PSe3)2,-4.9217020892,-1.1368540961,0.0,-0.034782179,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:K-La-P-Se,40.0,"Invalid WP multiplicities - ABC2D6_mP40_14_e_e_6e_22e:K-La-P-Se, expected KLa(P3Se11)2 to be KLa(PSe3)2" +mp-1194638,Ag3B5O9,-7.2500915682,-2.1668665526,0.007357592,0.007357592,GGA,P2_12_12_1,A3B5C9_oP68_19_3a_5a_9a:Ag-B-O,68.0,A3B5C9_oP68_19_3a_5a_9a:Ag-B-O +mp-559803,AgBO2,-6.7379139276,-1.8865826284,0.0099547554,0.0099547554,GGA,Pbcn,ABC2_oP128_60_ac3d_4d_8d:Ag-B-O,128.0,"Invalid WP multiplicities - ABC2_oP128_60_3a3c19d_27d_58d:Ag-B-O, expected Ag22B27O58 to be AgBO2" +mp-1194753,AgB3O5,-7.6921721972,-2.4028194337,0.0182373873,0.0182373873,GGA,Pna2_1,AB3C5_oP36_33_a_3a_5a:Ag-B-O,36.0,AB3C5_oP36_33_a_3a_5a:Ag-B-O +mp-780275,AgBO3,-6.374372164,-1.5039693824,0.0851976207,0.0851976207,GGA,R-3c,ABC3_hR30_167_b_a_e:Ag-B-O,10.0,ABC3_hR30_167_b_a_e:Ag-B-O +mp-985292,AgBO3,-5.419856482,-0.5494537004,1.0397133027,1.0397133027,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ag-B-O,5.0,ABC3_cP5_221_a_b_c:Ag-B-O +mp-759792,Ag2B8O13,-7.8662595286,-2.500729119,0.0115484736,-0.0118226739,GGA,P1,A2B8C13_aP92_1_8a_32a_52a:Ag-B-O,92.0,A2B8C13_aP92_1_8a_32a_52a:Ag-B-O +mp-851575,Ag2B8O13,-6.6413493765,-1.275818967,1.2364586257,1.2130874781,GGA,P1,A2B8C13_aP92_1_8a_32a_52a:Ag-B-O,92.0,A2B8C13_aP92_1_8a_32a_52a:Ag-B-O +mp-1247866,Ag2B8O13,-7.87039608,-2.5048656705,0.0074119222,-0.0159592254,GGA,P2_1,A2B8C13_mP92_4_4a_16a_26a:Ag-B-O,92.0,A2B8C13_mP92_4_8a_32a_52a:Ag-B-O +mp-554873,Ag2B8O13,-7.8778080022,-2.5122775926000003,0.0,-0.0233711475,GGA,P2_1/c,A2B8C13_mP92_14_2e_8e_13e:Ag-B-O,92.0,"Invalid WP multiplicities - A2B8C13_mP92_14_6e_29e_51e:Ag-B-O, expected Ag6B29O51 to be Ag2B8O13" +mp-679997,CsAg2(B5O8)3,-8.0275237074,-2.6591446596,0.0,-0.0020359116,GGA,P2_12_12,A2B15CD24_oP168_18_2c_ab14c_c_24c:Ag-B-Cs-O,168.0,"Invalid WP multiplicities - A2B15CD24_oP168_18_6c_2a2b53c_c_91c:Ag-B-Cs-O, expected CsAg6B55O91 to be CsAg2(B5O8)3" +mp-27816,Ag3BO3,-5.4421761857,-1.1540153408,0.0681399096,0.0681399096,GGA,R32,A3BC3_hR21_155_d_a_d:Ag-B-O,7.0,A3BC3_hR21_155_d_a_d:Ag-B-O +mp-561550,Ag3BO3,-5.4944306929,-1.2062698479,0.0158854024,0.0158854024,GGA,R-3c,A3BC3_hR84_167_f_c_f:Ag-B-O,28.0,A3BC3_hR84_167_f_c_f:Ag-B-O +mp-541626,K3Nb3Ge2O13,-7.7305548374,-2.6263586032,0.0350105382,0.0350105382,GGA,P-62m,A2B3C3D13_hP42_189_h_fg_i_cfgil:Ge-K-Nb-O,42.0,A2B3C3D13_hP42_189_h_fg_i_cfgil:Ge-K-Nb-O +mp-505186,Cs4Pr6C2I13,-4.3352806946,-1.5401551925,0.013752109,0.013752109,GGA,I4_1/amd,A2B4C13D6_tI100_141_e_g_ag2h_eh:C-Cs-I-Pr,50.0,A2B4C13D6_tI100_141_e_g_ag2h_eh:C-Cs-I-Pr +mp-1190682,CsPr3CI6,-4.5957131827,-1.5678056164,0.0,-0.0424801586,GGA,P-1,ABC6D3_aP22_2_i_i_6i_3i:C-Cs-I-Pr,22.0,ABC6D3_aP22_2_i_i_6i_3i:C-Cs-I-Pr +mp-1080650,BaCuSF,-5.2783846888,-2.2618570777,0.0039873694,0.0039873694,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-S,8.0,ABCD_tP8_129_c_a_b_c:Ba-Cu-F-S +mp-542501,Rb2U3(TeO7)2,-8.1769974405,-2.87339973,0.0,-0.0267395996,GGA,P-1,A14B2C2D3_aP21_2_7i_i_i_ai:O-Rb-Te-U,21.0,A14B2C2D3_aP21_2_7i_i_i_ai:O-Rb-Te-U +mp-1207733,YCrGeO5,-8.5103967312,-2.8258979819,0.0061493189,0.0061493189,GGA+U,Pbam,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Y,32.0,ABC5D_oP32_55_e_g_fghi_h:Cr-Ge-O-Y +mp-1939204,Y2Cr2O7,-9.0238263714,-2.9451119945,0.0179674941,0.0179674941,GGA+U,P-1,A2B7C2_aP22_2_abce_7i_dfgh:Cr-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_abce_13i_dfgh:Cr-O-Y, expected Y2Cr2O13 to be Y2Cr2O7" +mp-1045038,YCr3O6,-9.1762956475,-2.6657210684,0.1181045563,0.1181045563,GGA+U,P-3m1,A3B6C_hP40_164_adfi_c2d3i_cd:Cr-O-Y,40.0,"Invalid WP multiplicities - A3B6C_hP40_164_ad3f5i_2c4d18i_2c2d:Cr-O-Y, expected Y4Cr21O60 to be YCr3O6" +mp-18725,YCrO3,-9.3922170475,-3.2003001041,0.0,-0.0307828046,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Y,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Y +mp-1336975,YCrO3,-9.2342907863,-3.0423738429,0.1579262612,0.1271434565,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Cr-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Cr-O-Y +mp-1387900,YCrO3,-9.17906091,-2.9871439666,0.2131561375,0.1823733329,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Cr-O-Y,10.0,AB3C_hP10_194_c_bf_a:Cr-O-Y +mp-18770,YCrO3,-9.088909482,-2.8969925386,0.3033075655,0.2725247609,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Cr-O-Y,5.0,AB3C_cP5_221_b_c_a:Cr-O-Y +mp-1659341,Y2Cr3O9,-8.8235913154,-2.6512853841,0.1206923948,0.1206923948,GGA+U,P-1,A3B9C2_aP56_2_acfh4i_18i_4i:Cr-O-Y,56.0,"Invalid WP multiplicities - A3B9C2_oP56_62_3a3d_11c22d_7c:Cr-O-Y, expected Y7Cr9O55 to be Y2Cr3O9" +mp-1365415,Y2Cr3O9,-8.6635475845,-2.4912416532,0.2807361257,0.2807361257,GGA+U,P2_1/c,A3B9C2_mP56_14_ad2e_9e_2e:Cr-O-Y,56.0,"Invalid WP multiplicities - A3B9C2_oP56_62_3a3d_11c22d_7c:Cr-O-Y, expected Y7Cr9O55 to be Y2Cr3O9" +mp-1396182,Y2Cr3O9,-8.50586623,-2.3335602987,0.4384174802,0.4384174802,GGA+U,P4/mmm,A3B9C2_tP14_123_bg_aegi_h:Cr-O-Y,14.0,"Invalid WP multiplicities - A3B9C2_tP14_123_bg_a2eg2i_h:Cr-O-Y, expected Y2Cr3O15 to be Y2Cr3O9" +mp-1388764,YCr2O4,-9.1358534386,-2.6273790245,0.2222046558,0.2222046558,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Cr-O-Y,14.0,A2B4C_tI28_88_c_f_b:Cr-O-Y +mp-1388393,YCr2O4,-9.1651889943,-2.6567145802,0.1928691001,0.1928691001,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Cr-O-Y,14.0,A2B4C_cF56_227_c_e_b:Cr-O-Y +mp-1207648,YCrO2,-8.9454640062,-2.4422400048,0.5460864776000001,0.5460864776000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Cr-O-Y,16.0,AB2C_tI32_141_c_h_d:Cr-O-Y +mp-1361477,Y2Cr3O12,-8.3007398391,-2.3447192996,0.0341963376,-0.0260541548,GGA+U,P-1,A3B12C2_aP34_2_3i_12i_2i:Cr-O-Y,34.0,A3B12C2_aP34_2_6i_24i_4i:Cr-O-Y +mp-1362204,Y2Cr3O12,-8.3349361768,-2.3789156373,0.0,-0.0602504925,GGA+U,Fddd,A3B12C2_oF136_70_ae_3h_e:Cr-O-Y,34.0,"Invalid WP multiplicities - A3B12C2_oF136_70_2ae_20h_e:Cr-O-Y, expected YCr2O40 to be Y2Cr3O12" +mp-1208171,YCr2O2,-8.4627307155,-1.3295420203,1.0611191656,1.0611191656,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:Cr-O-Y,20.0,A2B2C_tI40_141_h_h_c:Cr-O-Y +mp-1285565,YCrO4,-8.7497745471,-2.7653956424,0.0,-0.0108391517,GGA+U,C222,AB4C_oC48_21_ack_4l_bdk:Cr-O-Y,24.0,"Invalid WP multiplicities - AB4C_oC48_21_ac2k_14l_bdk:Cr-O-Y, expected Y2Cr3O28 to be YCrO4" +mp-555657,YCrO4,-8.7239911725,-2.7396122678,0.0257833746,0.0149442229,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Cr-O-Y,12.0,AB4C_tI24_88_a_f_b:Cr-O-Y +mp-18825,YCrO4,-8.7496073,-2.7652283953,0.0001672471,-0.0106719046,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Cr-O-Y,12.0,AB4C_tI24_141_a_h_b:Cr-O-Y +mp-1352636,YCr3O9,-8.3163989446,-2.1667211043,0.0978368708,0.0978368708,GGA+U,P1,A3B9C_aP52_1_12a_36a_4a:Cr-O-Y,52.0,A3B9C_aP52_1_12a_36a_4a:Cr-O-Y +mp-1400138,YCr3O9,-8.1695522177,-2.0198743773,0.2446835977,0.2446835977,GGA+U,P4/mmm,A3B9C_tP13_123_bg_aegi_c:Cr-O-Y,13.0,"Invalid WP multiplicities - A3B9C_tP13_123_b2g_a2eg3i_c:Cr-O-Y, expected YCr5O19 to be YCr3O9" +mp-1204332,YCrO5,-8.1490785954,-2.3129411468,0.0856671611,0.0856671611,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cr-O-Y,56.0,AB5C_mP56_14_2e_10e_2e:Cr-O-Y +mp-1217216,Zn7Cd2(PO4)6,-6.4727388453,-2.3223714376,0.0249380515,0.0249380515,GGA,P1,A2B24C6D7_aP156_1_8a_96a_24a_28a:Cd-O-P-Zn,156.0,A2B24C6D7_aP156_1_8a_96a_24a_28a:Cd-O-P-Zn +mp-1120733,K2SnS3,-4.2786505,-1.1720306084,0.0,-0.0135058534,GGA,P-1,A2B3C_aP12_2_2i_3i_i:K-S-Sn,12.0,A2B3C_aP12_2_2i_3i_i:K-S-Sn +mp-541379,KSnS4,-4.5151166337,-0.9041549222,0.0,-0.0225325729,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:K-S-Sn,48.0,AB4C_mP48_14_2e_8e_2e:K-S-Sn +mp-1120789,K6Sn2S7,-4.1425543925,-1.2334419618,0.0,-0.0512798692,GGA,P2_12_12_1,A6B7C2_oP60_19_6a_7a_2a:K-S-Sn,60.0,A6B7C2_oP60_19_6a_7a_2a:K-S-Sn +mp-8965,K2Sn2S5,-4.4694617367,-1.0336627435,0.0,-0.0156153789,GGA,C2/c,A2B5C2_mC36_15_f_e2f_f:K-S-Sn,18.0,A2B5C2_mC36_15_f_e2f_f:K-S-Sn +mp-1224600,K10Mn4Sn4S17,-4.964265506,-1.1325516261,0.0,-0.0187114698,GGA,R3m,A10B4C17D4_hR105_160_a3b_ab_2a3bc_ab:K-Mn-S-Sn,35.0,"Invalid WP multiplicities - A10B4C17D4_hR105_160_a3b_ab_2a5b4c_ab:K-Mn-S-Sn, expected K10Mn4Sn4S41 to be K10Mn4Sn4S17" +mp-7794,KSnS2,-4.2912824375,-0.9430648036,0.1082540928,0.1082540928,GGA,R3m,AB2C_hR12_160_a_2a_a:K-S-Sn,4.0,AB2C_hR12_160_a_2a_a:K-S-Sn +mp-558762,KSnS2,-4.298357945,-0.9501403111,0.1011785853,0.1011785853,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Sn,4.0,AB2C_hR12_166_a_c_b:K-S-Sn +mp-1216037,Zn3Rh2(CN)12,-7.6316390869,0.2749047607,0.3792132418,0.3792132418,GGA,P-4m2,A12B12C2D3_tP29_115_2gl_2gl_g_ag:C-N-Rh-Zn,29.0,"Invalid WP multiplicities - A12B12C2D3_tP29_115_4g2l_4g2l_g_ag:C-N-Rh-Zn, expected Zn3Rh2(CN)24 to be Zn3Rh2(CN)12" +mp-1204038,GaH3Br3N,-4.2534898488,-0.9782580897,0.0,-0.050339297,GGA,Pbca,A3BC3D_oP128_61_6c_2c_6c_2c:Br-Ga-H-N,128.0,A3BC3D_oP128_61_6c_2c_6c_2c:Br-Ga-H-N +mp-3934,Cu3PS4,-4.8022848788,-0.5201946307,0.0,-0.0704653141,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Cu-P-S,16.0,"Invalid WP multiplicities - A3BC4_oP16_31_ab_a_2a2b:Cu-P-S, expected Cu3PS6 to be Cu3PS4" +mp-1225675,CuPS2,-4.6887354575,-0.2423832299,0.2407228964,0.2407228964,GGA,P3m1,ABC2_hP4_156_a_b_ab:Cu-P-S,4.0,ABC2_hP4_156_a_b_ab:Cu-P-S +mp-1196216,Cu7PS6,-4.596287167,-0.3872551385,0.0408010028,0.0408010028,GGA,P2_13,A7BC6_cP56_198_a2b_a_3ab:Cu-P-S,56.0,A7BC6_cP56_198_a2b_a_3ab:Cu-P-S +mp-1105187,CuPS3,-4.908199633,-0.5238278775,0.0,-0.0040512323,GGA,P4_2/mnm,ABC3_tP20_136_d_e_fj:Cu-P-S,20.0,ABC3_tP20_136_d_e_fj:Cu-P-S +mp-572465,CrCu(PS3)2,-5.5958943582,-0.6561385228000001,0.0,-0.0048674931,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Cr-Cu-P-S,40.0,"Invalid WP multiplicities - ABC2D6_mP40_14_e_e_5e_19e:Cr-Cu-P-S, expected CrCuP5S19 to be CrCu(PS3)2" +mp-1199191,Sb2S4O15,-6.4724681748,-1.7579856692,0.0,-0.0107553283,GGA,P2_1/c,A15B4C2_mP84_14_15e_4e_2e:O-S-Sb,84.0,A15B4C2_mP84_14_15e_4e_2e:O-S-Sb +mp-1179436,SrSb4S7O6,-4.8466870989,-0.5777548906000001,0.8786670174000001,0.8786670174000001,GGA,P2_1/c,A6B7C4D_mP72_14_6e_7e_4e_e:O-S-Sb-Sr,72.0,A6B7C4D_mP72_14_6e_7e_4e_e:O-S-Sb-Sr +mp-28711,Sb2S2O,-5.2459895745,-0.9504713895,0.0010988942,0.0010988942,GGA,P-1,AB2C2_aP20_2_2i_4i_4i:O-S-Sb,20.0,AB2C2_aP20_2_2i_4i_4i:O-S-Sb +mp-861911,Sb2S2O,-5.240019153,-0.944500968,0.0070693157,0.0070693157,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:O-S-Sb,10.0,AB2C2_mC20_12_i_2i_2i:O-S-Sb +mp-29295,Sr3Sb4S9,-4.9364316384,-1.2606482558,0.0,-0.0180578744,GGA,Pna2_1,A9B4C3_oP64_33_9a_4a_3a:S-Sb-Sr,64.0,"Invalid WP multiplicities - A9B4C3_oP64_33_12a_4a_3a:S-Sb-Sr, expected Sr3(SbS3)4 to be Sr3Sb4S9" +mp-16061,Sr6Sb6S17,-4.9667405895000005,-1.338098662,0.0,-0.0200409854,GGA,P2_12_12_1,A17B6C6_oP116_19_17a_6a_6a:S-Sb-Sr,116.0,"Invalid WP multiplicities - A17B6C6_oP116_19_19a_6a_6a:S-Sb-Sr, expected Sr6Sb6S19 to be Sr6Sb6S17" +mp-638424,Sb2S2O9,-6.5004286358,-1.8041901269,0.0,-0.0178406546,GGA,P4_12_12,A9B2C2_tP52_92_a4b_b_b:O-S-Sb,52.0,"Invalid WP multiplicities - A9B2C2_tP52_92_4a22b_b_b:O-S-Sb, expected SbSO24 to be Sb2S2O9" +mp-760060,Sb(SO4)2,-6.4108584133,-1.6858210802,0.0019565394,0.0019565394,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-Sb,88.0,"Invalid WP multiplicities - A8B2C_oP88_61_29c_2c_c:O-S-Sb, expected SbS2O29 to be Sb(SO4)2" +mp-1198180,SbS2O9,-5.9981885278,-1.2546802466,0.2967631763,0.2967631763,GGA,Pca2_1,A9B2C_oP96_29_18a_4a_2a:O-S-Sb,96.0,A9B2C_oP96_29_18a_4a_2a:O-S-Sb +mp-768457,Sb2(SO4)3,-6.4828901147,-1.775383255,0.0016953218,0.0002688246,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-S-Sb,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_11e_3e:O-S-Sb, expected Sb3S11O45 to be Sb2(SO4)3" +mp-768484,Sb2(SO4)3,-6.4435046888,-1.7359978291,0.0410807476,0.0396542504,GGA,C2/c,A12B3C2_mC68_15_6f_ef_f:O-S-Sb,34.0,"Invalid WP multiplicities - A12B3C2_mC68_15_21f_e2f_f:O-S-Sb, expected Sb2S5O42 to be Sb2(SO4)3" +mp-777615,Sb2(SO4)3,-6.4685045279,-1.7609976681,0.0160809086,0.0146544114,GGA,Pbca,A12B3C2_oP136_61_12c_3c_2c:O-S-Sb,136.0,"Invalid WP multiplicities - A12B3C2_oP136_61_45c_9c_5c:O-S-Sb, expected Sb5(SO5)9 to be Sb2(SO4)3" +mp-768486,Sb2(SO4)3,-6.4845854365,-1.7770785767,0.0,-0.0014264972,GGA,R-3,A12B3C2_hR102_148_4f_f_2c:O-S-Sb,34.0,"Invalid WP multiplicities - A12B3C2_hR102_148_19f_f_3c:O-S-Sb, expected SbSO19 to be Sb2(SO4)3" +mp-768500,Sb2(SO4)3,-6.4776285547,-1.770121695,0.0069568818,0.0055303846,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-S-Sb,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_9f_e_c:O-S-Sb, expected Sb2(SO18)3 to be Sb2(SO4)3" +mp-27256,Sb2(S2O7)3,-6.4348967064,-1.7122358575,0.0,-0.0037887607,GGA,P-1,A21B6C2_aP58_2_21i_6i_2i:O-S-Sb,58.0,A21B6C2_aP58_2_21i_6i_2i:O-S-Sb +mp-1209308,SbSO6,-6.0984483541,-1.3552504323,0.18271053,0.18271053,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-S-Sb,32.0,A6BC_mP32_14_6e_e_e:O-S-Sb +mp-27229,Sb6S2O15,-6.4766824611,-1.8137590766,0.0,-0.0320425361,GGA,Ccc2,A15B2C6_oC92_37_a7d_d_3d:O-S-Sb,46.0,A15B2C6_oC92_37_a7d_d_3d:O-S-Sb +mp-1210102,Sr2Sb2(SO3)5,-5.6731251779,-1.2348097867,0.8928678299,0.8928678299,GGA,C2/c,A15B5C2D2_mC96_15_e7f_e2f_f_f:O-S-Sb-Sr,48.0,A15B5C2D2_mC96_15_e7f_e2f_f_f:O-S-Sb-Sr +mp-1363714,Sb5S3O5,-5.6248925831,-1.1796772479,0.1367751697,0.1367751697,GGA,P1,A5B3C5_aP52_1_20a_12a_20a:O-S-Sb,52.0,A5B3C5_aP52_1_20a_12a_20a:O-S-Sb +mp-1847727,Sb5S3O5,-5.631316696,-1.1861013608,0.1303510568,0.1303510568,GGA,C2/c,A5B3C5_mC104_15_5f_3f_5f:O-S-Sb,52.0,A5B3C5_mC104_15_5f_3f_5f:O-S-Sb +mp-554119,KSnAsS5,-4.6137669947,-0.8060996770000001,0.0,-0.0200936379,GGA,Pbam,ABC5D_oP32_55_g_h_2ghi_e:As-K-S-Sn,32.0,"Invalid WP multiplicities - ABC5D_oP32_55_g_h_7g4h6i_e:As-K-S-Sn, expected KSnAsS23 to be KSnAsS5" +mp-10776,K2Sn(AsS3)2,-4.5428709691,-0.8731159,0.0,-0.0302443827,GGA,P-3,A2B2C6D_hP11_147_d_d_g_a:As-K-S-Sn,11.0,A2B2C6D_hP11_147_d_d_g_a:As-K-S-Sn +mp-559837,Bi2Te2WO10,-6.872429935,-1.7795894424,0.0004905375,0.0004905375,GGA+U,C2/c,A2B10C2D_mC60_15_f_5f_f_e:Bi-O-Te-W,30.0,"Invalid WP multiplicities - A2B10C2D_mC60_15_f_17f_f_e:Bi-O-Te-W, expected Bi2Te2WO34 to be Bi2Te2WO10" +mp-558409,Bi2Te2W3O16,-7.6598526452,-1.9212004662,0.0020916343,0.0020916343,GGA+U,C2/c,A2B16C2D3_mC92_15_f_8f_f_ef:Bi-O-Te-W,46.0,"Invalid WP multiplicities - A2B16C2D3_mC92_15_f_29f_f_2e2f:Bi-O-Te-W, expected BiTeW3O29 to be Bi2Te2W3O16" +mp-1211244,Mg3SO9,-4.7947289569,-0.6826144632000001,1.3685730184,1.3685730184,GGA,P1,A3B9C_aP13_1_3a_9a_a:Mg-O-S,13.0,A3B9C_aP13_1_3a_9a_a:Mg-O-S +mp-1237332,Mg3SO9,-4.9337563938,-0.8216419001,1.2295455814,1.2295455814,GGA,P1,A3B9C_aP13_1_3a_9a_a:Mg-O-S,13.0,A3B9C_aP13_1_3a_9a_a:Mg-O-S +mp-1104192,MgSO5,-6.12527801,-1.7723960853,0.2917862095,0.2917862095,GGA,C2/c,AB5C_mC28_15_c_e2f_e:Mg-O-S,14.0,AB5C_mC28_15_a_e2f_e:Mg-O-S +mp-769322,MgSO3,-6.396531487,-2.2811722769,0.0573955014,0.0573955014,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mg-O-S,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_21e_5e:Mg-O-S, expected Mg5S5O21 to be MgSO3" +mp-769347,MgSO3,-6.380499914,-2.2651407039,0.0734270744,0.0734270744,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Mg-O-S,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Mg-O-S, expected MgSO9 to be MgSO3" +mp-769397,MgSO3,-6.405517005,-2.2901577949,0.0484099834,0.0484099834,GGA,R-3,AB3C_hR90_148_f_3f_f:Mg-O-S,30.0,"Invalid WP multiplicities - AB3C_hR90_148_f_11f_f:Mg-O-S, expected MgSO11 to be MgSO3" +mp-1202225,MgSO6,-5.9814122895,-1.5543045165,0.2518549914,0.2518549914,GGA,P2_12_12_1,AB6C_oP64_19_2a_12a_2a:Mg-O-S,64.0,AB6C_oP64_19_2a_12a_2a:Mg-O-S +mp-1198413,Mg4SO18,-5.3259413935,-0.9964645731,0.428470986,0.428470986,GGA,C2/c,A4B18C_mC92_15_2f_9f_e:Mg-O-S,46.0,A4B18C_mC92_15_2f_9f_e:Mg-O-S +mp-1211278,MgSO8,-5.198306821,-0.6672828603000001,0.777644746,0.777644746,GGA,P2_1/c,AB8C_mP40_14_e_8e_e:Mg-O-S,40.0,AB8C_mP40_14_e_8e_e:Mg-O-S +mp-1180687,MgSO8,-5.647487933,-1.1164639723,0.328463634,0.328463634,GGA,C2/c,AB8C_mC40_15_c_4f_e:Mg-O-S,20.0,AB8C_mC40_15_c_4f_e:Mg-O-S +mp-1197550,Mg2S2O13,-5.851451196,-1.3937798384,0.3061349926,0.3061349926,GGA,C2/c,A2B13C2_mC136_15_2f_13f_2f:Mg-O-S,68.0,A2B13C2_mC136_15_2f_13f_2f:Mg-O-S +mp-1199206,Mg3(SO6)2,-5.9575901299,-1.6967663405,0.3624473492,0.3624473492,GGA,Pbcm,A3B12C2_oP68_57_de_4d4e_cd:Mg-O-S,68.0,A3B12C2_oP68_57_de_4d4e_cd:Mg-O-S +mp-1020122,MgS2O7,-6.5992468325,-2.1492467562,0.0,-0.0729558123,GGA,P-1,AB7C2_aP20_2_be_7i_2i:Mg-O-S,20.0,AB7C2_aP20_2_be_7i_2i:Mg-O-S +mp-1180405,MgSO9,-5.1772200809,-0.6084084156,0.7051621356000001,0.7051621356000001,GGA,P1,AB9C_aP11_1_a_9a_a:Mg-O-S,11.0,AB9C_aP11_1_a_9a_a:Mg-O-S +mp-1180517,MgSO9,-5.1417422209,-0.5729305556000001,0.7406399956,0.7406399956,GGA,P1,AB9C_aP11_1_a_9a_a:Mg-O-S,11.0,AB9C_aP11_1_a_9a_a:Mg-O-S +mp-1101800,MgSO9,-5.3196860136,-0.7508743484,0.5626962028,0.5626962028,GGA,R3,AB9C_hR33_146_a_3b_a:Mg-O-S,11.0,AB9C_hR33_146_a_3b_a:Mg-O-S +mp-1191983,MgSO4,-5.86987035,-1.615956223,0.7922564542,0.6840894571,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Mg-O-S,24.0,AB4C_mP24_14_e_4e_e:Mg-O-S +mp-4967,MgSO4,-6.6610509671,-2.4071368401,0.0010758371,-0.10709116,GGA,Pnma,AB4C_oP24_62_a_2cd_c:Mg-O-S,24.0,AB4C_oP24_62_a_2cd_c:Mg-O-S +mp-7572,MgSO4,-6.6621268042,-2.4082126772,0.0,-0.1081669971,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Mg-O-S,12.0,AB4C_oC24_63_a_fg_c:Mg-O-S +mp-1212723,MgSO11,-5.302779999,-0.6758334036,0.4356493705,0.4356493705,GGA,P2_12_12_1,AB11C_oP52_19_a_11a_a:Mg-O-S,52.0,AB11C_oP52_19_a_11a_a:Mg-O-S +mp-1211946,Mg5Pb(SO4)6,-6.6457165038,-2.3331255152,0.0,-0.0151244437,GGA,P-3,A5B24CD6_hP108_147_ad2g_12g_bd_3g:Mg-O-Pb-S,108.0,A5B24CD6_hP108_147_ad2g_12g_bd_3g:Mg-O-Pb-S +mp-1197733,MgS2O9,-5.4962176002,-0.9634360848,0.8276028787,0.8276028787,GGA,Pnma,AB9C2_oP48_62_a_c4d_2c:Mg-O-S,48.0,AB9C2_oP48_62_a_c4d_2c:Mg-O-S +mp-1201747,Mg3(SO5)2,-6.3964598732,-2.2270847401,0.1066907749,0.1066907749,GGA,P4_32_12,A3B10C2_tP60_96_ab_5b_b:Mg-O-S,60.0,A3B10C2_tP60_96_ab_5b_b:Mg-O-S +mp-5106,TbCoC2,-7.88821648,-0.33821276,0.0,-0.1132570719,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Tb,4.0,A2BC_oC8_38_d_a_b:C-Co-Tb +mp-15707,TbB2C,-7.3255262419,-0.5200724583,0.0,-0.0126174202,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Tb,32.0,A2BC_tP32_135_2h_h_g:B-C-Tb +mp-10854,Tb(BC)2,-7.737177926,-0.4470818007,0.0,-0.031023834,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Tb,10.0,A2B2C_tP10_127_g_g_b:B-C-Tb +mp-1079578,Tb(BC)2,-7.594627592,-0.3045314667,0.142550334,0.1115265,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Tb,10.0,A2B2C_tP10_131_j_l_f:B-C-Tb +mp-568624,Tb2B2C3,-7.52360771,-0.3359631073,0.0769354176,0.0769354176,GGA,Cmmm,A2B3C2_oC14_65_g_ag_h:B-C-Tb,7.0,"Invalid WP multiplicities - A2B3C2_oC14_65_g_a2g_h:B-C-Tb, expected Tb2B2C5 to be Tb2B2C3" +mp-1217561,TbCoC,-7.23116184,-0.2407120442,0.0592288733,0.0414799503,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Tb,3.0,ABC_tP3_123_a_b_c:C-Co-Tb +mp-22158,TbCoC,-7.2903907133,-0.2999409175,0.0,-0.017748923,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Tb,6.0,ABC_tP6_131_c_a_f:C-Co-Tb +mp-570655,Tb10B7C10,-7.2717750311,-0.4056247229,0.0125863542,0.0125863542,GGA,C2/c,A7B10C10_mC216_15_2e6f_10f_10f:B-C-Tb,108.0,"Invalid WP multiplicities - A7B10C10_mC216_15_3e21f_38f_36f:B-C-Tb, expected Tb72B45C76 to be Tb10B7C10" +mp-1025379,Tb2B4C,-7.0098594614,-0.5505787792,0.0,-0.0275180861,GGA,Immm,A4BC2_oI14_71_ef_a_h:B-C-Tb,7.0,A4BC2_oI14_71_ef_a_h:B-C-Tb +mp-1024963,TbCo2B2C,-7.3460777367,-0.4396692826,0.0248218454,0.0248218454,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Tb,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Tb +mp-1224399,Hf4C3N,-10.7171057375,-1.2356997972,0.0,-0.0151124312,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:C-Hf-N,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_a2c_2c_b:C-Hf-N, expected Hf4C5N to be Hf4C3N" +mp-1224274,HfTiC2,-9.90604654,-0.8285435321,0.0454248575,0.0454248575,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Hf-Ti,4.0,A2BC_hR12_166_c_a_b:C-Hf-Ti +mp-1224384,Hf4CN3,-10.981838935,-1.7234756366,0.0,-0.0080588463,GGA,R-3m,AB4C3_hR24_166_a_2c_bc:C-Hf-N,8.0,"Invalid WP multiplicities - AB4C3_hR24_166_a_2c_b2c:C-Hf-N, expected Hf4CN5 to be Hf4CN3" +mp-1223850,Hf2CN,-10.8721841975,-1.5022995781,0.0,-0.0227118613,GGA,R-3m,AB2C_hR12_166_a_c_b:C-Hf-N,4.0,AB2C_hR12_166_a_c_b:C-Hf-N +mp-1224279,HfTiCN,-10.2622259525,-1.4077655865,0.0364970437,0.0364970437,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Hf-N-Ti,4.0,ABCD_hR12_160_a_a_a_a:C-Hf-N-Ti +mp-1224257,HfTiN2,-10.518608265,-1.8871905408,0.0255785175,0.0255785175,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Hf-N-Ti,4.0,AB2C_tP4_123_a_bc_d:Hf-N-Ti +mp-1224286,HfTiN2,-10.5251981675,-1.8937804433,0.018988615,0.018988615,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-Ti,4.0,AB2C_hR12_166_a_c_b:Hf-N-Ti +mp-1246084,Rb2ZrN2,-5.9876745620000005,-0.5513228370000001,0.3060996409,0.3060996409,GGA,P-3m1,A2B2C_hP5_164_d_d_a:N-Rb-Zr,5.0,A2B2C_hP5_164_d_d_a:N-Rb-Zr +mp-1200966,RbZrN3O11,-6.9803075567,-1.4208516004,0.0513853429,0.0513853429,GGA,Pbcn,A3B11CD_oP64_60_cd_c5d_c_c:N-O-Rb-Zr,64.0,A3B11CD_oP64_60_cd_c5d_c_c:N-O-Rb-Zr +mp-1104258,Y(CrFe2)4,-8.67492789,0.0049821618,0.0246212554,0.0246212554,GGA,I4/mmm,A4B8C_tI26_139_i_fj_a:Cr-Fe-Y,13.0,A4B8C_tI26_139_i_fj_a:Cr-Fe-Y +mp-1216062,YCr5Fe7,-8.7431020454,0.0278100264,0.04744912,0.04744912,GGA,Imm2,A5B7C_oI26_44_2abc_bce_a:Cr-Fe-Y,13.0,A5B7C_oI26_44_2abc_bce_a:Cr-Fe-Y +mp-1216176,Y(CrFe3)3,-8.5854569115,0.0034511203,0.0230902138,0.0230902138,GGA,Imm2,A3B9C_oI26_44_ac_a2bce_a:Cr-Fe-Y,13.0,A3B9C_oI26_44_ac_a2bce_a:Cr-Fe-Y +mp-1216159,Y(CrFe5)2,-8.4919062531,0.0059997587,0.0256388523,0.0256388523,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Y,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Y +mp-1207800,Y2Cr2Fe15,-8.3720864113,0.0115638685,0.0384384176,0.0384384176,GGA,P6_3/mmc,A2B15C2_hP38_194_f_gjk_bc:Cr-Fe-Y,38.0,A2B15C2_hP38_194_f_gjk_bc:Cr-Fe-Y +mp-1216153,Y2CrFeO6,-9.097973602,-3.0243592846,0.0,-0.0043246868,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cr-Fe-O-Y,20.0,ABC6D2_mP20_14_a_b_3e_e:Cr-Fe-O-Y +mp-1216029,YCrFe11,-8.4213741646,-0.0144701728,0.0051689208,0.0051689208,GGA,Imm2,AB11C_oI26_44_a_a2b2ce_a:Cr-Fe-Y,13.0,AB11C_oI26_44_a_a2b2ce_a:Cr-Fe-Y +mp-1208544,Tb2Si4CN6,-8.3076894733,-1.3678710608,0.0,-0.0718662543,GGA,P2_1/c,AB6C4D2_mP52_14_e_6e_4e_2e:C-N-Si-Tb,52.0,AB6C4D2_mP52_14_e_6e_4e_2e:C-N-Si-Tb +mp-1188629,CaV4(PdO4)3,-7.6284324905,-1.9663757843,0.151362145,0.151362145,GGA+U,Im-3,AB12C3D4_cI40_204_a_g_b_c:Ca-O-Pd-V,20.0,AB12C3D4_cI40_204_a_g_b_c:Ca-O-Pd-V +mp-568572,WSe6ICl6,-4.0187338829,-0.6974349253000001,0.0158176475,0.0158176475,GGA,P-1,A6BC6D_aP14_2_3i_b_3i_c:Cl-I-Se-W,14.0,"Invalid WP multiplicities - A6BC6D_aP14_2_5i_b_6i_c:Cl-I-Se-W, expected WSe12ICl10 to be WSe6ICl6" +mp-541510,W2Se17Cl12,-4.0841599881,-0.6154762623000001,0.007534859,0.007534859,GGA,P-1,A12B17C2_aP62_2_12i_17i_2i:Cl-Se-W,62.0,A12B17C2_aP62_2_12i_17i_2i:Cl-Se-W +mp-1112864,K2NaCeF6,-5.561836686,-3.4673080713,0.057276623,0.057276623,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Na +mp-1111005,KNa2ScF6,-5.503833928,-3.3481546836,0.200697977,0.200697977,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Sc +mp-6058,K2NaScF6,-5.7079950660000005,-3.5735284563,0.0,-0.0278285598,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Sc +mp-697144,RbH2N,-4.43697965,-0.4113593781,0.0,-0.0305917714,GGA,P2_1/m,A2BC_mP8_11_f_e_e:H-N-Rb,8.0,A2BC_mP8_11_f_e_e:H-N-Rb +mp-1245901,RbSnN,-4.49188786,-0.0496875758,0.2573974414,0.2573974414,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Rb-Sn,6.0,ABC_hP6_186_b_b_a:N-Rb-Sn +mp-1201043,Rb2Sn2H3N,-3.9855007647,-0.4236401503,0.0,-0.072974495,GGA,P2_1/c,A3BC2D2_mP64_14_6e_2e_4e_4e:H-N-Rb-Sn,64.0,A3BC2D2_mP64_14_6e_2e_4e_4e:H-N-Rb-Sn +mp-643359,Rb2Sn(H2N)6,-4.9997441529,-0.3948716724,0.0275594752,0.0275594752,GGA,P-3,A12B6C2D_hP21_147_2g_g_d_a:H-N-Rb-Sn,21.0,A12B6C2D_hP21_147_2g_g_d_a:H-N-Rb-Sn +mp-1198991,Rb3H12N5,-4.6962745023,-0.4294350331,0.0,-0.0135468277,GGA,I2_13,A12B5C3_cI80_199_2c_ab_b:H-N-Rb,40.0,A12B5C3_cI80_199_2c_ab_b:H-N-Rb +mp-5450,K2ZrF6,-6.1326913311,-3.6618721834,0.0,-0.0481841065,GGA,C2/c,A6B2C_mC36_15_3f_f_e:F-K-Zr,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_4f_f_e:F-K-Zr, expected K2ZrF8 to be K2ZrF6" +mp-13596,K2ZrF6,-6.1316106889,-3.6607915412,0.0010806422,-0.0471034643,GGA,Cmcm,A6B2C_oC36_63_f2g_f_c:F-K-Zr,18.0,"Invalid WP multiplicities - A6B2C_oC36_63_f3g_f_c:F-K-Zr, expected K2ZrF8 to be K2ZrF6" +mp-556689,KZrF5,-6.5524065802,-3.8073359496,0.0,-0.0238126308,GGA,P-1,A5BC_aP42_2_15i_3i_3i:F-K-Zr,42.0,"Invalid WP multiplicities - A5BC_aP42_2_30i_5i_5i:F-K-Zr, expected KZrF6 to be KZrF5" +mp-14985,KZrPdF7,-5.8949959838,-3.0731625678,0.0125629737,0.0125629737,GGA,Pnna,A7BCD_oP40_52_d3e_c_d_d:F-K-Pd-Zr,40.0,A7BCD_oP40_52_d3e_c_d_d:F-K-Pd-Zr +mp-1219573,SbH7F12,-4.584259471,-2.0434679128,0.0,-0.0629121839,GGA,C2,A12B7C_mC40_5_6c_a3c_b:F-H-Sb,20.0,A12B7C_mC40_5_6c_a3c_b:F-H-Sb +mp-760678,Sb2H4AuF16,-4.5583617009,-2.1372116078,0.0,-0.0004999298,GGA,P-1,AB16C4D2_aP23_2_a_8i_2i_i:Au-F-H-Sb,23.0,"Invalid WP multiplicities - AB16C4D2_aP23_2_a_15i_3i_i:Au-F-H-Sb, expected Sb2H6AuF30 to be Sb2H4AuF16" +mp-1209115,Sb2HF13,-4.3934216806,-2.1121744867,0.0882983449,0.0882983449,GGA,P-1,A13BC2_aP16_2_a6i_e_i:F-H-Sb,16.0,A13BC2_aP16_2_a6i_e_i:F-H-Sb +mp-676763,SbH7F11,-4.5057067774,-1.9317935038,0.0623917508,0.0623917508,GGA,P1,A11B7C_aP95_1_55a_35a_5a:F-H-Sb,95.0,A11B7C_aP95_1_55a_35a_5a:F-H-Sb +mp-28437,RuClF8,-4.268338058,-1.626860964,0.0,-0.0299893645,GGA,Pcca,AB8C_oP80_54_cd_8f_f:Cl-F-Ru,80.0,AB8C_oP80_54_cd_8f_f:Cl-F-Ru +mp-1213787,Cl(OF)2,-3.7098788005,-0.5969043970000001,0.1067923692,0.1067923692,GGA,C2/m,AB2C2_mC40_12_gi_2ij_2j:Cl-F-O,20.0,AB2C2_mC40_12_gi_2ij_2j:Cl-F-O +mp-753945,ClOF3,-3.4248679665,-0.9189355118,0.0,-0.1203110985,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Cl-F-O,20.0,"Invalid WP multiplicities - AB3C_aP20_2_3i_11i_3i:Cl-F-O, expected Cl3O3F11 to be ClOF3" +mp-581143,RuOF4,-5.4407195417,-1.7962183548,0.0250054023,0.0250054023,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-O-Ru,24.0,"Invalid WP multiplicities - A4BC_mP24_14_14e_e_e:F-O-Ru, expected RuOF14 to be RuOF4" +mp-683982,RuOF4,-5.4352424681,-1.7907412812,0.0304824759,0.0304824759,GGA,P2_12_12_1,A4BC_oP48_19_8a_2a_2a:F-O-Ru,48.0,"Invalid WP multiplicities - A4BC_oP48_19_28a_5a_3a:F-O-Ru, expected Ru3O5F28 to be RuOF4" +mp-505242,Ru(OF3)2,-4.9614682725,-1.5573956317,0.0,-0.0737223044,GGA,Ia-3,A6B2C_cI72_206_e_c_a:F-O-Ru,36.0,A6B2C_cI72_206_e_c_a:F-O-Ru +mp-556834,RuCl(OF3)2,-4.7921180915,-1.5435990488,0.0,-0.0972485487,GGA,P2/c,AB6C2D_mP20_13_e_3g_g_f:Cl-F-O-Ru,20.0,"Invalid WP multiplicities - AB6C2D_mP20_13_e_11g_g_f:Cl-F-O-Ru, expected RuCl(OF11)2 to be RuCl(OF3)2" +mp-29132,RuCl2O,-5.692592895,-1.2130517522,0.0,-0.1141974869,GGA,Immm,A2BC_oI8_71_e_a_c:Cl-O-Ru,4.0,A2BC_oI8_71_e_a_c:Cl-O-Ru +mp-1246105,Ca7SnN6,-5.7264020189,-0.8644205500000001,0.0028254908,0.0028254908,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Sn,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Sn +mp-989590,Ca6Sn2NF,-4.345057944,-1.3149862558,0.0,-0.0205051052,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Ca-F-N-Sn,10.0,A6BCD2_cF40_225_e_a_b_c:Ca-F-N-Sn +mp-1202897,Sn3N3F11,-5.1529277844,-1.7373707854,0.5046080753000001,0.5046080753000001,GGA,Pmmn,A11B3C3_oP34_59_b2efg_ae_ae:F-N-Sn,34.0,A11B3C3_oP34_59_b2efg_ae_ae:F-N-Sn +mp-637179,Ca3SnN,-3.001288218,0.671285066,1.4657553792,1.4657553792,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-N-Sn,5.0,A3BC_cP5_221_c_a_b:Ca-N-Sn +mp-1078294,Sn(NF3)2,-3.9469724311,-0.3745907078,1.1306951506,1.1306951506,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-N-Sn,9.0,A6B2C_hP9_164_i_d_a:F-N-Sn +mp-1206257,Sn(NF3)2,-3.9218978944,-0.3495161711,1.1557696872,1.1557696872,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-N-Sn,9.0,A6B2C_cF36_225_e_c_a:F-N-Sn +mp-1373532,CaSnF5,-5.4820862082,-3.2574338407,0.1431663695,0.1431663695,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Sn,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Sn +mp-1029633,CaSnN2,-6.2855099506,-0.6134695544000001,0.0,-0.0487603134,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Ca-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Ca-N-Sn +mp-674232,Ca2Sn2F3,-5.056224535,-2.5183987675,0.3134517675,0.3134517675,GGA,Cm,A2B3C2_mC28_8_2ab_2a2b_2ab:Ca-F-Sn,14.0,"Invalid WP multiplicities - A2B3C2_mC28_8_2a2b_2a2b_2ab:Ca-F-Sn, expected Ca3Sn2F3 to be Ca2Sn2F3" +mp-1069819,Sn(NF)2,-6.13241892,-1.231314992,0.3104801175,0.3104801175,GGA,C2/m,A2B2C_mC10_12_i_i_a:F-N-Sn,5.0,A2B2C_mC10_12_i_i_a:F-N-Sn +mp-1400762,Ca(SnN)2,-5.547767036,-0.208220348,0.2825552955,0.2825552955,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Ca-N-Sn,5.0,AB2C2_tP5_115_a_g_f:Ca-N-Sn +mp-30146,CaSn2F6,-5.5047530422,-3.1165733317,0.0046260439,0.0046260439,GGA,P-1,AB6C2_aP18_2_i_6i_2i:Ca-F-Sn,18.0,AB6C2_aP18_2_i_6i_2i:Ca-F-Sn +mp-1247524,Ca5(SnN3)2,-5.9158197412,-0.6799649212000001,0.110956005,0.110956005,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Sn,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Sn +mp-1179476,SnNF3,-5.061954649,-1.4458539125,0.757845124,0.757845124,GGA,P-1,A3BC_aP10_2_3i_i_i:F-N-Sn,10.0,"Invalid WP multiplicities - A3BC_aP10_2_6i_i_i:F-N-Sn, expected SnNF6 to be SnNF3" +mp-1080727,SnNF3,-4.582062941,-0.9659622045,1.237736832,1.237736832,GGA,C2,A3BC_mC20_5_3c_c_c:F-N-Sn,10.0,A3BC_mC20_5_3c_c_c:F-N-Sn +mp-1079200,SnNF3,-4.480307579,-0.8642068425,1.339492194,1.339492194,GGA,R-3,A3BC_hR30_148_f_c_c:F-N-Sn,10.0,A3BC_hR30_148_f_c_c:F-N-Sn +mp-1237814,SnNF3,-4.599682573,-0.9835818365,1.2201172,1.2201172,GGA,R-3,A3BC_hR30_148_f_c_c:F-N-Sn,10.0,A3BC_hR30_148_f_c_c:F-N-Sn +mp-4782,CaSnF6,-5.5874021188,-3.4018964262,0.0014265875,-0.124344425,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Sn,8.0,AB6C_hR24_148_a_f_b:Ca-F-Sn +mp-8224,CaSnF6,-5.5888287063,-3.4033230138,0.0,-0.1257710125,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ca-F-Sn,8.0,AB6C_cF32_225_a_e_b:Ca-F-Sn +mp-1202072,Sn(NF2)4,-4.970987039,-0.921188324,0.1209326548,0.1209326548,GGA,Pccn,A8B4C_oP52_56_4e_2e_c:F-N-Sn,52.0,A8B4C_oP52_56_4e_2e_c:F-N-Sn +mp-1391177,Ca2SnN2,-5.611924929,-0.673172636,0.132272676,0.0672532134,GGA,C2,A2B2C_mC20_5_2c_2c_c:Ca-N-Sn,10.0,A2B2C_mC20_5_2c_2c_c:Ca-N-Sn +mp-1029915,Ca2SnN2,-5.744197605,-0.805445312,0.0,-0.0650194626,GGA,Cmce,A2B2C_oC40_64_2f_2f_f:Ca-N-Sn,20.0,A2B2C_oC40_64_2f_2f_f:Ca-N-Sn +mp-1214305,Ca3SnF6,-5.385086024,-3.235561494,0.5662914915,0.5662914915,GGA,P-1,A3B6C_aP10_2_bch_3i_a:Ca-F-Sn,10.0,A3B6C_aP10_2_bch_3i_a:Ca-F-Sn +mp-1214347,Ca3SnF6,-5.5655446170000005,-3.416020087,0.3858328985,0.3858328985,GGA,P-1,A3B6C_aP10_2_bch_3i_a:Ca-F-Sn,10.0,A3B6C_aP10_2_bch_3i_a:Ca-F-Sn +mp-1237210,Ca3SnF6,-5.408822848,-3.259298318,0.5425546675,0.5425546675,GGA,P-1,A3B6C_aP10_2_abh_3i_c:Ca-F-Sn,10.0,A3B6C_aP10_2_abh_3i_c:Ca-F-Sn +mp-1048327,CaSnF4,-5.630687035,-3.3538391008,0.0431307046,0.0431307046,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ca-F-Sn,6.0,AB4C_tP6_123_a_i_d:Ca-F-Sn +mp-504704,Ni2Hg2OF6,-4.4969665705,-1.8984941517,0.0,-0.0485022282,GGA+U,Fd-3m,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Ni-O,22.0,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Ni-O +mp-1147690,NiOF,-5.4193860267,-1.2066179071,0.3604092787,0.3604092787,GGA+U,P4/mmm,ABC_tP3_123_b_a_c:F-Ni-O,3.0,ABC_tP3_123_b_a_c:F-Ni-O +mp-763215,Ni3OF5,-5.5360018344,-1.997724769,0.0708509363,0.0708509363,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Ni-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Ni-O +mp-849268,Ni3OF5,-5.5366664083,-1.9983893429,0.0701863624,0.0701863624,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Ni-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Ni-O +mp-756261,Ni3OF5,-5.5372355344,-1.998958469,0.0696172363,0.0696172363,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Ni-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Ni-O +mp-779009,Ni3OF5,-5.5353748239,-1.9970977585,0.0714779468,0.0714779468,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Ni-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Ni-O +mp-777382,Ni3OF5,-5.532780525,-1.9945034596,0.0740722457,0.0740722457,GGA+U,P-1,A5B3C_aP18_2_5i_ab2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_10i_ab3i_i:F-Ni-O, expected Ni4OF10 to be Ni3OF5" +mp-759808,Ni3OF5,-5.5317131639,-1.9934360985,0.0751396068,0.0751396068,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_10i_ae3i_i:F-Ni-O, expected Ni4OF10 to be Ni3OF5" +mp-778617,Ni3OF5,-5.5346240117,-1.9963469462,0.072228759,0.072228759,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_9i_ae2i_i:F-Ni-O, expected Ni3OF9 to be Ni3OF5" +mp-763929,Ni3OF5,-5.53500246,-1.9967253946,0.0718503107,0.0718503107,GGA+U,P2_1,A5B3C_mP18_4_5a_3a_a:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_4_10a_5a_a:F-Ni-O, expected Ni5OF10 to be Ni3OF5" +mp-754387,Ni3OF5,-5.5329179506,-1.9946408851,0.0739348201,0.0739348201,GGA+U,Pm,A5B3C_mP18_6_5a5b_3a3b_ab:F-Ni-O,18.0,A5B3C_mP18_6_5a5b_3a3b_ab:F-Ni-O +mp-774326,Ni3OF5,-5.5351166294,-1.996839564,0.0717361413,0.0717361413,GGA+U,Cm,A5B3C_mC36_8_4a3b_6a_2a:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_8_4a6b_6a_2a:F-Ni-O, expected Ni3OF8 to be Ni3OF5" +mp-754905,Ni3OF5,-5.5339643511,-1.9956872857,0.0728884196,0.0728884196,GGA+U,P2/m,A5B3C_mP18_10_2m3n_cemn_m:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_10_3m6n_aem2n_m:F-Ni-O, expected Ni4OF9 to be Ni3OF5" +mp-765749,Ni3OF5,-5.5332054356,-1.9949283701,0.0736473351,0.0736473351,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g3i3j_ad3i_i:F-Ni-O, expected Ni4OF11 to be Ni3OF5" +mp-755978,Ni3OF5,-5.532469955,-1.9941928896,0.0743828157,0.0743828157,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g3i3j_ad4i_i:F-Ni-O, expected Ni5OF11 to be Ni3OF5" +mp-755637,Ni3OF5,-5.532127585,-1.9938505196,0.0747251857,0.0747251857,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g4i2j_ad3i_i:F-Ni-O, expected Ni4OF10 to be Ni3OF5" +mp-752551,Ni3OF5,-5.5323947206,-1.9941176551,0.0744580501,0.0744580501,GGA+U,C2/m,A5B3C_mC36_12_3ij_ac2i_g:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_6i2j_ad3i_g:F-Ni-O, expected Ni4OF10 to be Ni3OF5" +mp-1101425,Ni3OF5,-5.5358707894,-1.997593724,0.0709819813,0.0709819813,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ad2i_i:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g4i3j_ac3i_i:F-Ni-O, expected Ni4OF12 to be Ni3OF5" +mp-759363,Ni3OF5,-5.5338054911,-1.9955284257,0.0730472796,0.0730472796,GGA+U,Pmn2_1,A5B3C_oP18_31_5a_3a_a:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_oP18_31_10a_5a_a:F-Ni-O, expected Ni5OF10 to be Ni3OF5" +mp-763299,Ni3OF5,-5.5407818606,-2.0025047951,0.0660709101,0.0660709101,GGA+U,Pmn2_1,A5B3C_oP18_31_a2b_ab_a:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_oP18_31_a2b_2a2b_a:F-Ni-O, expected Ni6OF5 to be Ni3OF5" +mp-760977,Ni3OF5,-5.534381295,-1.9961042296,0.0724714757,0.0724714757,GGA+U,Amm2,A5B3C_oC36_38_2acef_ab2c_c:F-Ni-O,18.0,"Invalid WP multiplicities - A5B3C_oC36_38_2ac2e3f_ab4c_c:F-Ni-O, expected Ni5OF10 to be Ni3OF5" +mp-1210254,Ni(O2F)2,-4.81728369,-0.6187337671,0.3752733607,0.3752733607,GGA+U,Pca2_1,A2BC4_oP28_29_2a_a_4a:F-Ni-O,28.0,A2BC4_oP28_29_2a_a_4a:F-Ni-O +mp-754037,NiOF2,-5.22298135,-1.5855355184,0.1539769553,0.1539769553,GGA+U,P2_1/c,A2BC_mP16_14_2e_e_e:F-Ni-O,16.0,"Invalid WP multiplicities - A2BC_mP16_14_3e_e_e:F-Ni-O, expected NiOF3 to be NiOF2" +mp-754490,NiHgO2,-4.9079643537,-0.9136657369,0.0150397194,0.0150397194,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Hg-Ni-O,16.0,ABC2_hR12_166_a_b_c:Hg-Ni-O +mp-1188411,Hg(OF)2,-3.0455604815,-0.241557337,0.782559023,0.782559023,GGA,Pbcn,A2BC2_oP20_60_d_c_d:F-Hg-O,20.0,A2BC2_oP20_60_d_c_d:F-Hg-O +mp-31132,Hg4OF6,-3.1251782018,-1.5224251131000002,0.0,-0.0097774466,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:F-Hg-O,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_4c_bc_b:F-Hg-O, expected Hg4OF12 to be Hg4OF6" +mp-850285,Ni6OF11,-5.5276282278,-2.1579739259,0.0359889092,0.0359889092,GGA+U,P1,A11B6C_aP18_1_11a_6a_a:F-Ni-O,18.0,A11B6C_aP18_1_11a_6a_a:F-Ni-O +mp-850936,Ni6OF11,-5.5274065467,-2.1577522448,0.0362105903,0.0362105903,GGA+U,C2,A11B6C_mC36_5_a5c_ab2c_a:F-Ni-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_5_a8c_ab3c_a:F-Ni-O, expected Ni8OF17 to be Ni6OF11" +mp-755301,Ni6OF11,-5.5248650394,-2.1552107376,0.0387520976,0.0387520976,GGA+U,Pm,A11B6C_mP18_6_5a6b_3a3b_a:F-Ni-O,18.0,A11B6C_mP18_6_5a6b_3a3b_a:F-Ni-O +mp-849377,Ni6OF11,-5.5279782828,-2.1583239809,0.0356388542,0.0356388542,GGA+U,Cm,A11B6C_mC36_8_5a3b_6a_a:F-Ni-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_8_5a6b_6a_a:F-Ni-O, expected Ni6OF17 to be Ni6OF11" +mp-754507,Ni6OF11,-5.5282222728,-2.1585679709,0.0353948642,0.0353948642,GGA+U,Amm2,A11B6C_oC36_38_a2cef_ab2c_a:F-Ni-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a3c2e2f_ab2c_a:F-Ni-O, expected Ni6OF19 to be Ni6OF11" +mp-759670,Ni6OF11,-5.5255566083000005,-2.1559023065,0.0380605287,0.0380605287,GGA+U,Amm2,A11B6C_oC36_38_5a3e_3a3b_a:F-Ni-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_5a6e_3a3b_a:F-Ni-O, expected Ni6OF17 to be Ni6OF11" +mp-759105,Ni6OF11,-5.5253699861,-2.1557156842,0.0382471509,0.0382471509,GGA+U,Amm2,A11B6C_oC36_38_a2d3e_abde_a:F-Ni-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a4d6e_ab2de_a:F-Ni-O, expected Ni8OF21 to be Ni6OF11" +mp-1102974,HgOF,-3.2995961683,-0.9123134871,0.1599884077,0.1599884077,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:F-Hg-O,12.0,ABC_oP12_19_a_a_a:F-Hg-O +mp-1211320,KRb2InF6,-4.735366128,-3.0061636653,0.0,-0.0356048332,GGA,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:F-In-K-Rb,20.0,A6BCD2_mP20_14_3e_a_d_e:F-In-K-Rb +mp-1207139,KRb2InF6,-4.7276375690000005,-2.9984351063,0.007728559,-0.0278762742,GGA,I4/m,A6BCD2_tI20_87_eh_a_b_d:F-In-K-Rb,10.0,A6BCD2_tI20_87_eh_a_b_d:F-In-K-Rb +mp-1078205,KRb2InF6,-4.719376665,-2.9901742023,0.015989463,-0.0196153702,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-In-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-In-K-Rb +mp-1111441,K2RbInF6,-4.663446548,-2.9212575978,0.0808173273,0.0808173273,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Rb +mp-1112188,K2AlInF6,-5.159941348,-3.1412482221,0.0569980304,0.0569980304,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-In-K +mp-549720,NbI2O,-6.14619713,-1.6475155172,0.0,-0.0418272435,GGA,C2,A2BC_mC16_5_2c_c_c:I-Nb-O,8.0,"Invalid WP multiplicities - A2BC_mC16_5_3c_c_c:I-Nb-O, expected NbI3O to be NbI2O" +mp-1181590,Mg(IO8)2,-4.7110184189,-0.3060693595,0.3630201541,0.3630201541,GGA,P2_1/c,A2BC16_mP38_14_e_a_8e:I-Mg-O,38.0,A2BC16_mP38_14_e_a_8e:I-Mg-O +mp-1197251,Mg(IO8)2,-4.2587464747,0.1462025847,0.8152920983,0.8152920983,GGA,P2_1/c,A2BC16_mP38_14_e_a_8e:I-Mg-O,38.0,A2BC16_mP38_14_e_a_8e:I-Mg-O +mp-557685,NbIO2,-7.7364132056,-2.3694010025,0.0,-0.0005828887,GGA,Pnma,ABC2_oP16_62_c_c_2c:I-Nb-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_4c:I-Nb-O, expected NbIO4 to be NbIO2" +mp-38322,Mg(IO3)2,-5.2155384194,-1.4125223064,0.0,-0.1335257447,GGA,P2_1,A2BC6_mP18_4_2a_a_6a:I-Mg-O,18.0,"Invalid WP multiplicities - A2BC6_mP18_4_3a_a_11a:I-Mg-O, expected MgI3O11 to be Mg(IO3)2" +mp-771040,Mg(IO3)2,-5.1673551861,-1.3643390731,0.0481832333,-0.0853425114,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:I-Mg-O,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_3e_e_21e:I-Mg-O, expected Mg(IO7)3 to be Mg(IO3)2" +mp-770718,Mg(IO3)2,-5.1711370975,-1.3681209844,0.0444013219,-0.0891244228,GGA,P2_12_12_1,A2BC6_oP36_19_2a_a_6a:I-Mg-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_19_5a_a_21a:I-Mg-O, expected MgI5O21 to be Mg(IO3)2" +mp-768315,Mg(IO3)2,-5.1639320214,-1.3609159083,0.0516063981,-0.0819193467,GGA,Pbcn,A2BC6_oP36_60_d_c_3d:I-Mg-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_d_c_9d:I-Mg-O, expected Mg(IO9)2 to be Mg(IO3)2" +mp-1222205,Mg(IO3)2,-5.1906284067,-1.3876122936,0.0249100128,-0.1086157319,GGA,P3,A2BC6_hP9_143_ab_c_2d:I-Mg-O,9.0,A2BC6_hP9_143_ab_c_2d:I-Mg-O +mp-546285,NbI3O,-5.329622355,-1.4360037947,0.0,-0.0146390228,GGA,C2,A3BC_mC20_5_3c_c_c:I-Nb-O,10.0,"Invalid WP multiplicities - A3BC_mC20_5_6c_c_c:I-Nb-O, expected NbI6O to be NbI3O" +mp-2229015,MgNb4(IO2)4,-7.3638815647,-2.2184418412,0.1992873044,0.1992873044,GGA,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O +mp-2229040,MgNb4(IO2)4,-7.4179864759,-2.2725467524000003,0.1451823932,0.1451823932,GGA,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O +mp-2229409,MgNb4(IO2)4,-7.3793712,-2.2339314765,0.1837976691,0.1837976691,GGA,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:I-Mg-Nb-O +mp-1180575,MgIO12,-4.3627643918,0.096800675,0.7689714377,0.7689714377,GGA,Pc,ABC12_mP28_7_a_a_12a:I-Mg-O,28.0,ABC12_mP28_7_a_a_12a:I-Mg-O +mp-1181614,MgIO12,-4.4398341804,0.0197308864,0.6919016492000001,0.6919016492000001,GGA,Pc,ABC12_mP28_7_a_a_12a:I-Mg-O,28.0,ABC12_mP28_7_a_a_12a:I-Mg-O +mp-1194127,MgIO12,-4.4608079961,-0.0012429293,0.6709278334000001,0.6709278334000001,GGA,Pc,ABC12_mP28_7_a_a_12a:I-Mg-O,28.0,ABC12_mP28_7_a_a_12a:I-Mg-O +mp-2240058,MgNb2(I3O)2,-5.10680479,-1.4216715489,0.1440504064,0.1440504064,GGA,C2,A6BC2D2_mC22_5_3c_a_c_c:I-Mg-Nb-O,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_c:I-Mg-Nb-O, expected MgNb2(I6O)2 to be MgNb2(I3O)2" +mp-2223604,MgNb2(I3O)2,-5.0949593173,-1.4098260761,0.1558958791,0.1558958791,GGA,Cm,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O,11.0,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O +mp-2223691,MgNb2(I3O)2,-5.0408701991,-1.355736958,0.2099849973,0.2099849973,GGA,Cm,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O,11.0,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O +mp-2224222,MgNb2(I3O)2,-5.1096218845,-1.4244886434,0.1412333118,0.1412333118,GGA,Cm,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O,11.0,A6BC2D2_mC22_8_6a_a_2a_2a:I-Mg-Nb-O +mp-1192943,Mg(IO5)2,-4.5433632281000005,-0.388447854,0.5894522042,0.5894522042,GGA,P2_1/c,A2BC10_mP26_14_e_a_5e:I-Mg-O,26.0,A2BC10_mP26_14_e_a_5e:I-Mg-O +mp-733508,SmH5(SeO4)2,-5.9551521831,-1.6896803703,0.0375807418,0.0375807418,GGA,P2_12_12_1,A5B8C2D_oP64_19_5a_8a_2a_a:H-O-Se-Sm,64.0,A5B8C2D_oP64_19_5a_8a_2a_a:H-O-Se-Sm +mp-542802,YCuPbS3,-5.8015331787,-1.3535874364,0.0,-0.0095347629,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-S-Y,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-Pb-S-Y +mp-865203,YCuPbS3,-5.801078055,-1.3531323127,0.0004551237,-0.0090796392,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Pb-S-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Cu-Pb-S-Y +mp-1201221,Ag2(RhS)15,-6.1476667917,-0.5796518524000001,0.063735406,0.063735406,GGA,Pm-3m,A2B15C15_cP64_221_ac_fm_eij:Ag-Rh-S,64.0,A2B15C15_cP64_221_ac_fm_eij:Ag-Rh-S +mp-1214944,AgRh(SO4)2,-6.3015115675,-1.4645721261,0.0,-0.0595208095,GGA,C2/m,AB8CD2_mC24_12_a_2ij_c_i:Ag-O-Rh-S,12.0,AB8CD2_mC24_12_a_2ij_d_i:Ag-O-Rh-S +mp-1018033,AgRhO2,-5.8997476325,-0.8771873085,0.0376648846,0.0376648846,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-O-Rh,4.0,AB2C_hR12_166_a_c_b:Ag-O-Rh +mp-997106,AgRhO2,-5.8996922575,-0.8771319335000001,0.0377202596,0.0377202596,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-O-Rh,8.0,AB2C_hP8_194_c_f_a:Ag-O-Rh +mp-28969,Pr2NCl3,-6.3465982342,-2.4392788317000003,0.0,-0.1125729808,GGA,Ibam,A3BC2_oI24_72_aj_b_j:Cl-N-Pr,12.0,"Invalid WP multiplicities - A3BC2_oI24_72_a2j_b_j:Cl-N-Pr, expected Pr2NCl5 to be Pr2NCl3" +mp-556087,Pr6S4N3Cl,-7.1929017062,-2.0436691754,0.0444597193,0.0444597193,GGA,Pnma,AB3C6D4_oP56_62_c_3c_6c_4c:Cl-N-Pr-S,56.0,"Invalid WP multiplicities - AB3C6D4_oP56_62_c_10c_17c_13c:Cl-N-Pr-S, expected Pr17S13N10Cl to be Pr6S4N3Cl" +mp-558143,Pr4S3NCl3,-6.5384222677,-2.4097788563,0.0,-0.0084826259,GGA,P6_3mc,A3BC4D3_hP22_186_c_b_bc_c:Cl-N-Pr-S,22.0,"Invalid WP multiplicities - A3BC4D3_hP22_186_c_b_2b2c_c:Cl-N-Pr-S, expected Pr8S3NCl3 to be Pr4S3NCl3" +mp-558940,Pr3S3N,-7.1693720511,-2.1567203667,0.0,-0.0106474602,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-Pr-S,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_9c_7c:N-Pr-S, expected Pr9S7N to be Pr3S3N" +mp-1209609,PrN2Cl5,-4.3150773406,-0.4780049775,0.9010545381,0.9010545381,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-N-Pr,32.0,A5B2C_oP32_62_3cd_d_c:Cl-N-Pr +mp-1219905,Pr5S2N3Cl2,-7.0794868912,-2.0058213409,0.0660534706,0.0660534706,GGA,C2/m,A2B3C5D2_mC48_12_2i_3i_5i_2i:Cl-N-Pr-S,24.0,A2B3C5D2_mC48_12_2i_3i_5i_2i:Cl-N-Pr-S +mp-729405,Pr4S3N2,-7.3767014397,-2.0204833874,0.0091205178,-0.01772766,GGA,P1,A2B4C3_aP36_1_8a_16a_12a:N-Pr-S,36.0,"Invalid WP multiplicities - A2B4C3_mC72_9_5a_14a_12a:N-Pr-S, expected Pr14S12N5 to be Pr4S3N2" +mp-558617,Pr4S3N2,-7.3858219575,-2.0296039052,0.0,-0.0268481778,GGA,C2/c,A2B4C3_mC72_15_2f_4f_ce2f:N-Pr-S,36.0,"Invalid WP multiplicities - A2B4C3_mC72_15_4f_12f_2c2e6f:N-Pr-S, expected Pr3S2N to be Pr4S3N2" +mp-541282,KZr2(AsO4)3,-7.6126535814,-2.5269080282000003,0.0,-0.1084019945,GGA,R-3c,A3BC12D2_hR108_167_e_b_2f_c:As-K-O-Zr,36.0,A3BC12D2_hR108_167_e_b_2f_c:As-K-O-Zr +mp-27377,K4Zr5O12,-8.3408229229,-3.2674722813,0.0,-0.0261321083,GGA,P-3m1,A4B12C5_hP21_164_cd_2i_a2d:K-O-Zr,21.0,A4B12C5_hP21_164_cd_2i_a2d:K-O-Zr +mp-18449,K2ZrO3,-7.0538207338,-2.7857266241,0.0,-0.0305711644,GGA,Pnma,A2B3C_oP24_62_d_cd_c:K-O-Zr,24.0,A2B3C_oP24_62_d_cd_c:K-O-Zr +mp-1184950,KZrO3,-7.699603072,-2.7999699298,0.0663136548,0.0663136548,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Zr,5.0,AB3C_cP5_221_a_c_b:K-O-Zr +mp-27522,K2Zr2O5,-8.0402239556,-3.14581921,0.0145984808,0.0145984808,GGA,Pnna,A2B5C2_oP36_52_e_2cde_e:K-O-Zr,36.0,A2B5C2_oP36_52_e_2cde_e:K-O-Zr +mp-1211624,K4ZrO4,-5.9984702944,-2.3566868208,0.0,-0.0834415208,GGA,P-1,A4B4C_aP18_2_4i_4i_i:K-O-Zr,18.0,A4B4C_aP18_2_4i_4i_i:K-O-Zr +mp-1192808,GdWBrO4,-9.5811317818,-2.6705552611,0.015364338,0.015364338,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Gd-O-W,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Gd-O-W +mp-1211079,LiTb6B3O14,-8.5528452275,-3.5942228635,0.0,-0.0325369633,GGA,P2_1/c,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Tb,96.0,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Tb +mp-556665,TlBiP2S7,-4.8281512468,-0.6477070324,0.0,-0.0109751797,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Bi-P-S-Tl,44.0,"Invalid WP multiplicities - AB2C7D_mP44_14_e_5e_27e_e:Bi-P-S-Tl, expected TlBiP5S27 to be TlBiP2S7" +mp-27133,BiPS4,-4.9347758533,-0.6348440026000001,0.0,-0.0553431758,GGA,Ibca,ABC4_oI96_73_2c_de_4f:Bi-P-S,48.0,"Invalid WP multiplicities - ABC4_oI96_73_2c_2de_4f:Bi-P-S, expected Bi2P3S8 to be BiPS4" +mp-559093,Tl2BiP2S7,-4.7071468785,-0.6781860865,0.0,-0.0173677031,GGA,C2/c,AB2C7D2_mC96_15_f_2f_7f_2f:Bi-P-S-Tl,48.0,"Invalid WP multiplicities - AB2C7D2_mC96_15_f_6f_22f_4f:Bi-P-S-Tl, expected Tl4Bi(P3S11)2 to be Tl2BiP2S7" +mp-1200066,Tl3Bi3(PS4)4,-4.7611279154,-0.6670585028,0.0,-0.0096257583,GGA,P2_1/c,A3B4C16D3_mP208_14_6e_8e_32e_6e:Bi-P-S-Tl,208.0,A3B4C16D3_mP208_14_6e_8e_32e_6e:Bi-P-S-Tl +mp-556592,TlBi(PS3)2,-4.831838551,-0.6469949019,0.0,-0.0086889755,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:Bi-P-S-Tl,20.0,"Invalid WP multiplicities - AB2C6D_mP20_4_a_3a_11a_a:Bi-P-S-Tl, expected TlBiP3S11 to be TlBi(PS3)2" +mp-1193610,CsTl(SO5)2,-5.6440793154,-1.2870912893,0.2313511098,0.2313511098,GGA,C2/c,AB10C2D_mC56_15_e_5f_f_e:Cs-O-S-Tl,28.0,AB10C2D_mC56_15_e_5f_f_e:Cs-O-S-Tl +mp-1213394,CsTlS2,-3.7833478969,-0.9006115838000001,0.0,-0.0164623428,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Cs-S-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:Cs-S-Tl +mp-1202583,GaAu(I4N)2,-2.3576647133,0.539160176,0.9300910156,0.9300910156,GGA,Pnma,ABC8D2_oP48_62_a_c_2c3d_d:Au-Ga-I-N,48.0,ABC8D2_oP48_62_a_c_2c3d_d:Au-Ga-I-N +mp-561304,KAg3As2S5,-4.1410027749000005,-0.5402252202,0.0,-0.0206858536,GGA,Pnma,A3B2CD5_oP88_62_3d_2cd_d_2c4d:Ag-As-K-S,88.0,"Invalid WP multiplicities - A3B2CD5_oP88_62_17d_8c6d_d_8c26d:Ag-As-K-S, expected KAg17(AsS3)10 to be KAg3As2S5" +mp-1099317,LaMg6B,-2.3497694713,0.3023654257,0.4498514252,0.4498514252,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-La-Mg,8.0,ABC6_oC16_38_a_b_abde:B-La-Mg +mp-1099318,LaMg6B,-2.4266475325,0.2254873645,0.372973364,0.372973364,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-La-Mg +mp-557758,LaMg(BO2)5,-8.3739780734,-3.1151467133,0.0,-0.0103692217,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-La-Mg-O,68.0,"Invalid WP multiplicities - A5BCD10_mP68_14_17e_e_e_37e:B-La-Mg-O, expected LaMgB17O37 to be LaMg(BO2)5" +mp-1034910,LaMg14BO16,-6.2705098072,-2.7340617148,0.3303240085,0.3303240085,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-La-Mg-O, expected LaMg18BO20 to be LaMg14BO16" +mp-1034856,LaMg14BO16,-6.2833962247,-2.7469481323,0.317437591,0.317437591,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-La-Mg-O, expected LaMg30BO32 to be LaMg14BO16" +mp-1026772,LaMg14B,-1.9998762662,0.1263312072,0.2004457455,0.2004457455,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-La-Mg, expected LaMg18B to be LaMg14B" +mp-1026743,LaMg14B,-1.9228192238,0.2033882497,0.277502788,0.277502788,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-La-Mg, expected LaMg26B to be LaMg14B" +mp-1040003,LaMg30BO32,-6.3011760061,-2.8962097696,0.1630032418,0.1630032418,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-La-Mg-O, expected LaMg90BO80 to be LaMg30BO32" +mp-1039913,LaMg30BO32,-6.3076934466,-2.9027272101,0.1564858013,0.1564858013,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-La-Mg-O, expected LaMg110BO72 to be LaMg30BO32" +mp-1030977,LaMg6BO8,-6.3013069712,-2.5018951671,0.5728359802,0.5728359802,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-La-Mg-O, expected LaMg6BO12 to be LaMg6BO8" +mp-1030985,LaMg6BO8,-6.2240203419,-2.4246085378,0.6501226096,0.6501226096,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-La-Mg-O, expected LaMg6BO12 to be LaMg6BO8" +mp-1218131,TaBi(P2O7)2,-8.0403567427,-2.7101008055,0.0,-0.0011080662,GGA,P2_1/c,AB14C4D_mP40_14_a_bc6e_2e_d:Bi-O-P-Ta,40.0,"Invalid WP multiplicities - AB14C4D_mP40_14_a_cd18e_4e_b:Bi-O-P-Ta, expected TaBi(P4O19)2 to be TaBi(P2O7)2" +mp-1046286,Ca2Ta2WO8,-9.0925265285,-2.9188038408,0.2830958436,0.2830958436,GGA+U,C2,A2B8C2D_mC52_5_2c_8c_2c_ab:Ca-O-Ta-W,26.0,A2B8C2D_mC52_5_2c_8c_2c_ab:Ca-O-Ta-W +mp-1372505,Ca2TaWO6,-8.8610101635,-3.0102861748,0.098226812,0.098226812,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Ta-W,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Ca-O-Ta-W, expected Ca3TaWO18 to be Ca2TaWO6" +mp-1367958,Ca2TaWO6,-8.886622066,-3.0358980772,0.0726149095,0.0726149095,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Ta-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Ta-W +mp-1443834,Ca2TaWO6,-8.858111353,-3.0073873642,0.1011256225,0.1011256225,GGA+U,R3,A2B6CD_hR30_146_2a_2b_a_a:Ca-O-Ta-W,10.0,"Invalid WP multiplicities - A2B6CD_hR30_146_2a_3b_a_a:Ca-O-Ta-W, expected Ca2TaWO9 to be Ca2TaWO6" +mp-756514,Li4Y3CrO8,-7.7596047273,-2.9932508544000003,0.0531242641,0.0531242641,GGA+U,C222,AB4C8D3_oC32_21_a_bdk_efl_ck:Cr-Li-O-Y,64.0,AB4C8D3_oC32_21_a_bdk_efl_ck:Cr-Li-O-Y +mp-7020,LiYO2,-7.8259403419,-3.2587474912,0.0,-0.0031870783,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Li-O-Y,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_5e_e:Li-O-Y, expected LiYO5 to be LiYO2" +mp-976283,LiYO3,-6.881439394,-2.2383473713,0.4157053001,0.4157053001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Li-O-Y,5.0,AB3C_cP5_221_b_c_a:Li-O-Y +mp-5274,ThTi2O6,-9.6673761767,-3.7912678932,0.0,-6.427e-05,GGA,C2/m,A6BC2_mC18_12_3i_a_i:O-Th-Ti,9.0,"Invalid WP multiplicities - A6BC2_mC18_12_4i_a_i:O-Th-Ti, expected ThTi2O8 to be ThTi2O6" +mp-4733,ThTi2O6,-9.6514829972,-3.7753747138,0.0158931794,0.0158289094,GGA,C2/c,A6BC2_mC36_15_3f_e_f:O-Th-Ti,18.0,"Invalid WP multiplicities - A6BC2_mC36_15_4f_e_f:O-Th-Ti, expected ThTi2O8 to be ThTi2O6" +mp-1211547,K2ThO3,-7.0328277454,-2.9537073658,0.0,-0.1452468554,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:K-O-Th,24.0,A2B3C_mC48_15_aef_3f_2e:K-O-Th +mp-1211240,KThTi2O6,-8.852507232,-3.4529698822,0.0641037578,0.0641037578,GGA,P4/mmm,AB6CD2_tP10_123_c_abi_d_g:K-O-Th-Ti,10.0,AB6CD2_tP10_123_c_abi_d_g:K-O-Th-Ti +mp-1218138,Ta8Ni(CS2)4,-9.1760438395,-1.0499191431,0.0322824885,0.0322824885,GGA,R-3m,A4BC8D8_hR63_166_bd_a_ch_ch:C-Ni-S-Ta,21.0,"Invalid WP multiplicities - A4BC8D8_hR63_166_b2d_a_2c3h_2c3h:C-Ni-S-Ta, expected Ta22NiC7S22 to be Ta8Ni(CS2)4" +mp-1215056,BaMn5(SO4)6,-7.471974165,-2.1589663963,0.0,-0.0031341481,GGA+U,P-3,AB5C24D6_hP108_147_ad_bd2g_12g_3g:Ba-Mn-O-S,108.0,AB5C24D6_hP108_147_ad_bd2g_12g_3g:Ba-Mn-O-S +mp-768472,Mn2(SO4)3,-7.1815585579,-1.881932398,0.0,-0.0553259899,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Mn-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Mn-O-S, expected Mn3S11O43 to be Mn2(SO4)3" +mp-768543,Mn2(SO4)3,-7.1460619218,-1.8464357618,0.0354966362,-0.0198293537,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Mn-O-S,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_21f_e2f:Mn-O-S, expected Mn2S5O42 to be Mn2(SO4)3" +mp-778822,Mn2(SO4)3,-7.1738105171,-1.8741843571,0.0077480409,-0.047577949,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Mn-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_19f_f:Mn-O-S, expected MnSO19 to be Mn2(SO4)3" +mp-773014,Mn(SO4)2,-6.8776210064,-1.6950369413000002,0.0461668833,0.0461668833,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Mn-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Mn-O-S, expected Mn(SO9)2 to be Mn(SO4)2" +mp-771239,Mn(SO4)2,-6.8898621797,-1.7072781146,0.03392571,0.03392571,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Mn-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Mn-O-S, expected Mn(SO9)2 to be Mn(SO4)2" +mp-1211753,Mn(SO6)2,-5.9320600525,-0.8123814151000001,0.4645013896,0.4645013896,GGA+U,Pnma,AB12C2_oP60_62_a_2c5d_d:Mn-O-S,60.0,AB12C2_oP60_62_a_2c5d_d:Mn-O-S +mp-27818,MnSO3,-7.5008767485,-1.87317049,0.0693872306,0.0693872306,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-S,40.0,AB3C_mP40_14_2e_6e_2e:Mn-O-S +mp-560522,MnSO3,-7.5007057193,-1.8729994608,0.0695582598,0.0695582598,GGA+U,R-3,AB3C_hR90_148_f_3f_f:Mn-O-S,30.0,AB3C_hR90_148_f_3f_f:Mn-O-S +mp-1211119,Mn3(SO6)2,-7.2054854574,-1.6102378018,0.1757597192,0.1757597192,GGA+U,Pbcm,A3B12C2_oP68_57_de_4d4e_cd:Mn-O-S,68.0,A3B12C2_oP68_57_de_4d4e_cd:Mn-O-S +mp-2224849,MnSO5,-7.1327857207,-1.6996559043,0.0819100564,0.0819100564,GGA+U,P-1,AB5C_aP14_2_ab_5i_i:Mn-O-S,14.0,"Invalid WP multiplicities - AB5C_aP14_2_ab_9i_i:Mn-O-S, expected MnSO9 to be MnSO5" +mp-1104701,MnSO5,-7.1295776286,-1.6964478121000002,0.0851181485,0.0851181485,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Mn-O-S,14.0,AB5C_mC28_15_a_e2f_e:Mn-O-S +mp-1211211,MnSO8,-6.1411360853,-0.8539386004,0.3931575721,0.3931575721,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Mn-O-S,40.0,AB8C_mP40_14_e_8e_e:Mn-O-S +mp-22554,MnSO4,-7.55957828,-2.045374946,0.0,-0.1505042287,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Mn-O-S,12.0,AB4C_oC24_63_a_fg_c:Mn-O-S +mp-818570,MnSO6,-6.4496249147,-1.0773002364,0.4815699792,0.4815699792,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Mn-O-S,32.0,AB6C_mP32_14_e_6e_e:Mn-O-S +mp-818575,MnSO6,-6.4542905816000005,-1.0819659033,0.4769043123,0.4769043123,GGA+U,Pnma,AB6C_oP32_62_c_2c2d_c:Mn-O-S,32.0,AB6C_oP32_62_c_2c2d_c:Mn-O-S +mp-1211070,Mn5(SO5)3,-7.3518610915,-1.5944803641,0.4442224675,0.4442224675,GGA+U,P2_1/m,A5B15C3_mP46_11_e2f_5e5f_3e:Mn-O-S,46.0,A5B15C3_mP46_11_e2f_5e5f_3e:Mn-O-S +mp-1200059,Ga11NO17,-6.2456583712,-1.9098218449,0.2603073801,0.2603073801,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Ga-N-O,58.0,A11BC17_hP58_194_a2fk_c_def2k:Ga-N-O +mp-530841,Ga41N11O45,-6.3441917348,-1.8240435585,0.079894323,0.079894323,GGA,Cm,A41B11C45_mC194_8_27a7b_11a_17a14b:Ga-N-O,97.0,"Invalid WP multiplicities - A41B11C45_mC194_8_27a13b_11a_17a16b:Ga-N-O, expected Ga53N11O49 to be Ga41N11O45" +mp-530844,Ga23N5O27,-6.3618692569,-1.9093369233,0.0671607262,0.0671607262,GGA,P1,A23B5C27_aP55_1_23a_5a_27a:Ga-N-O,55.0,A23B5C27_aP55_1_23a_5a_27a:Ga-N-O +mp-778065,Ga3NO3,-6.3657436725,-1.7570509402,0.0518681975,0.0518681975,GGA,P1,A3BC3_aP28_1_12a_4a_12a:Ga-N-O,28.0,A3BC3_aP28_1_12a_4a_12a:Ga-N-O +mp-754335,Ga3NO3,-6.3596664393,-1.750973707,0.0579454307,0.0579454307,GGA,P1,A3BC3_aP28_1_12a_4a_12a:Ga-N-O,28.0,A3BC3_aP28_1_12a_4a_12a:Ga-N-O +mp-778698,Ga3NO3,-6.3578741254,-1.7491813930000002,0.0597377446,0.0597377446,GGA,P1,A3BC3_aP28_1_12a_4a_12a:Ga-N-O,28.0,A3BC3_aP28_1_12a_4a_12a:Ga-N-O +mp-1178261,Ga3NO3,-6.3575537564,-1.7488610241,0.0600581136,0.0600581136,GGA,P1,A3BC3_aP28_1_12a_4a_12a:Ga-N-O,28.0,A3BC3_aP28_1_12a_4a_12a:Ga-N-O +mp-778064,Ga3NO3,-6.3737451304,-1.765052398,0.0438667396,0.0438667396,GGA,Pm,A3BC3_mP28_6_3a3b3c_2a2b_2a2b4c:Ga-N-O,28.0,A3BC3_mP28_6_3a3b3c_2a2b_2a2b4c:Ga-N-O +mp-1178206,Ga3NO3,-6.3703738039,-1.7616810716,0.0472380661,0.0472380661,GGA,Pm,A3BC3_mP28_6_3a3b3c_3ab_a3b4c:Ga-N-O,28.0,A3BC3_mP28_6_3a3b3c_3ab_a3b4c:Ga-N-O +mp-754991,Ga3NO3,-6.3584255879,-1.7497328555,0.0591862821,0.0591862821,GGA,C2/m,A3BC3_mC56_12_adef3i_2i_2i2j:Ga-N-O,28.0,"Invalid WP multiplicities - A3BC3_mC56_12_ad2e2f5i_4i_4i5j:Ga-N-O, expected Ga5N2O7 to be Ga3NO3" +mp-754781,Ga3NO3,-6.3697114607,-1.7610187284,0.0479004093,0.0479004093,GGA,R-3m,A3BC3_hR42_166_acd_c_h:Ga-N-O,14.0,"Invalid WP multiplicities - A3BC3_hR42_166_a2c3d_c_h:Ga-N-O, expected Ga7NO3 to be Ga3NO3" +mp-754929,Ga3NO3,-6.3743744825,-1.7656817502000002,0.0432373875,0.0432373875,GGA,P-6,A3BC3_hP28_174_jkl_ak_bhjl:Ga-N-O,28.0,"Invalid WP multiplicities - A3BC3_hP28_174_2j3kl_ak_bh2j2l:Ga-N-O, expected Ga21N4O21 to be Ga3NO3" +mp-779435,Ga3NO3,-6.3496430521,-1.7409503198,0.0679688179,0.0679688179,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Ga-N-O,14.0,A3BC3_hP14_176_h_c_h:Ga-N-O +mp-1019516,Ba4GaN3O,-5.5838019882,-1.0660054028,0.0635510851,0.0635510851,GGA,Pbca,A4BC3D_oP72_61_4c_c_3c_c:Ba-Ga-N-O,72.0,A4BC3D_oP72_61_4c_c_3c_c:Ba-Ga-N-O +mp-541950,GaN5O14,-6.584007209,-0.8857965788000001,0.0,-0.0619114254,GGA,C2,AB5C14_mC40_5_b_a2c_2a6c:Ga-N-O,20.0,AB5C14_mC40_5_b_a2c_2a6c:Ga-N-O +mp-557954,GaN5O14,-6.5819873730000005,-0.8837767427000001,0.002019836,-0.0598915894,GGA,I-4,AB5C14_tI40_82_c_ag_e3g:Ga-N-O,20.0,"Invalid WP multiplicities - AB5C14_tI40_82_c_ag_2e9g:Ga-N-O, expected Ga(NO8)5 to be GaN5O14" +mp-676333,Ga11NO15,-6.3974794511,-2.1068912348,0.0433915381,0.0433915381,GGA,P1,A11BC15_aP27_1_11a_a_15a:Ga-N-O,27.0,A11BC15_aP27_1_11a_a_15a:Ga-N-O +mp-759619,Mn3O2F5,-7.1710967135,-2.4774148999,0.0617322357,0.0617322357,GGA+U,Immm,A5B3C2_oI40_71_e2l_gk_n:F-Mn-O,20.0,"Invalid WP multiplicities - A5B3C2_oI40_71_e3l_2gk_n:F-Mn-O, expected Mn4O2F7 to be Mn3O2F5" +mp-760369,MnOF,-7.6636366054,-2.3235756151,0.0639288683,0.0639288683,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-1176426,MnOF,-7.4613563025,-2.1212953122,0.2662091712,0.2662091712,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-782725,MnOF,-7.6421998725,-2.3021388822,0.0853656012,0.0853656012,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-752784,MnOF,-7.6598320925,-2.3197711022,0.0677333812,0.0677333812,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-849294,MnOF,-7.6483079525,-2.3082469622,0.0792575212,0.0792575212,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-752996,MnOF,-7.6512925871,-2.3112315968,0.0762728867,0.0762728867,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-760945,MnOF,-7.6521711883,-2.3121101981,0.0753942854,0.0753942854,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-777061,MnOF,-7.6564043338,-2.3163433435,0.07116114,0.07116114,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-760929,MnOF,-7.6606564721,-2.3205954818,0.0669090017,0.0669090017,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-2216570,MnOF,-7.6788781517,-2.3388171614,0.0486873221,0.0486873221,GGA+U,P1,ABC_aP24_1_8a_8a_8a:F-Mn-O,24.0,ABC_aP24_1_8a_8a_8a:F-Mn-O +mp-867782,MnOF,-7.679574631699999,-2.3395136414,0.0479908421,0.0479908421,GGA+U,P-1,ABC_aP6_2_i_i_i:F-Mn-O,6.0,ABC_aP6_2_i_i_i:F-Mn-O +mp-761228,MnOF,-7.6622618029,-2.3222008126,0.0653036708,0.0653036708,GGA+U,P-1,ABC_aP24_2_4i_bcdh2i_4i:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_aP24_2_7i_bcdh3i_7i:F-Mn-O, expected Mn5(OF)7 to be MnOF" +mp-777349,MnOF,-7.6562253817,-2.3161643914,0.0713400921,0.0713400921,GGA+U,P-1,ABC_aP18_2_3i_ae2i_3i:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_aP18_2_5i_ae2i_5i:F-Mn-O, expected Mn3(OF)5 to be MnOF" +mp-755257,MnOF,-7.6864146206,-2.3463536303,0.0411508532,0.0411508532,GGA+U,P2_1,ABC_mP18_4_3a_3a_3a:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_mP18_4_4a_6a_4a:F-Mn-O, expected Mn3(OF)2 to be MnOF" +mp-764387,MnOF,-7.6821022596,-2.3420412693,0.0454632142,0.0454632142,GGA+U,C2,ABC_mC48_5_ab3c_ab3c_ab3c:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mC48_5_ab6c_ab3c_ab6c:F-Mn-O, expected Mn4(OF)7 to be MnOF" +mp-760966,MnOF,-7.6843683008,-2.3443073106,0.0431971729,0.0431971729,GGA+U,Pm,ABC_mP24_6_7ab_4a4b_a7b:F-Mn-O,24.0,ABC_mP24_6_7ab_4a4b_a7b:F-Mn-O +mp-754911,MnOF,-7.6819215606,-2.3418605703,0.0456439132,0.0456439132,GGA+U,Pm,ABC_mP18_6_5ab_3a3b_a5b:F-Mn-O,18.0,ABC_mP18_6_5ab_3a3b_a5b:F-Mn-O +mp-753271,MnOF,-7.6806957625,-2.3406347722,0.0468697112,0.0468697112,GGA+U,Pm,ABC_mP24_6_3a5b_4a4b_5a3b:F-Mn-O,24.0,ABC_mP24_6_3a5b_4a4b_5a3b:F-Mn-O +mp-764450,MnOF,-7.6521558408,-2.3120948506,0.0754096329,0.0754096329,GGA+U,Pc,ABC_mP24_7_4a_4a_4a:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_7_8a_7a_8a:F-Mn-O, expected Mn7(OF)8 to be MnOF" +mp-1176425,MnOF,-7.6638582758,-2.3237972856,0.0637071979,0.0637071979,GGA+U,Cm,ABC_mC48_8_2a3b_2a3b_2a3b:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mC48_8_2a3b_2a4b_2a3b:F-Mn-O, expected Mn5(OF)4 to be MnOF" +mp-754675,MnOF,-7.6744960011,-2.3344350108,0.0530694726,0.0530694726,GGA+U,P2/m,ABC_mP18_10_2mn_cemn_m2n:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_4mn_ae2mn_2m4n:F-Mn-O, expected Mn4O6F5 to be MnOF" +mp-753006,MnOF,-7.6746172928,-2.3345563025,0.052948181,0.052948181,GGA+U,P2/m,ABC_mP18_10_2mn_cemn_m2n:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_mP18_10_4mn_aemn_2m4n:F-Mn-O, expected Mn3O6F5 to be MnOF" +mp-759203,MnOF,-7.6792974567,-2.3392364664,0.0482680171,0.0482680171,GGA+U,P2/m,ABC_mP24_10_3mn_acm2n_m3n:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_6mn_ac2m2n_2m5n:F-Mn-O, expected Mn5(OF)7 to be MnOF" +mp-763036,MnOF,-7.6766112604,-2.3365502701,0.0509542133,0.0509542133,GGA+U,P2/m,ABC_mP24_10_m3n_acm2n_3mn:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_m6n_ac2m3n_5m2n:F-Mn-O, expected Mn6(OF)7 to be MnOF" +mp-763204,MnOF,-7.6807908212,-2.340729831,0.0467746525,0.0467746525,GGA+U,P2/m,ABC_mP24_10_2m2n_acm2n_2m2n:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_10_4m4n_ac2m2n_4m3n:F-Mn-O, expected Mn5O7F8 to be MnOF" +mp-861568,MnOF,-7.7008964283,-2.3608354381,0.0266690454,0.0266690454,GGA+U,C2/m,ABC_mC12_12_i_i_i:F-Mn-O,12.0,ABC_mC12_12_i_i_i:F-Mn-O +mp-850199,MnOF,-7.5166887592,-2.1766277689,0.2108767146,0.2108767146,GGA+U,P2/c,ABC_mP24_13_2g_efg_2g:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_13_5g_2e2f2g_5g:F-Mn-O, expected Mn4(OF)5 to be MnOF" +mp-755662,MnOF,-7.6361403046,-2.2960793143,0.0914251692,0.0914251692,GGA+U,P2_1/c,ABC_mP24_14_2e_2e_2e:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_14_5e_6e_5e:F-Mn-O, expected Mn6(OF)5 to be MnOF" +mp-754018,MnOF,-7.6560660575,-2.3160050672,0.0714994162,0.0714994162,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:F-Mn-O,12.0,ABC_mP12_14_e_e_e:F-Mn-O +mp-777296,MnOF,-7.2314127646,-1.8913517743,0.4961527092,0.4961527092,GGA+U,P2_1/c,ABC_mP24_14_2e_2e_2e:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_14_8e_4e_7e:F-Mn-O, expected Mn4O7F8 to be MnOF" +mp-777354,MnOF,-7.6622604154,-2.3221994251,0.0653050583,0.0653050583,GGA+U,P2_1/c,ABC_mP24_14_2e_ace_2e:F-Mn-O,24.0,"Invalid WP multiplicities - ABC_mP24_14_3e_2ace_3e:F-Mn-O, expected Mn5(OF)6 to be MnOF" +mp-763268,MnOF,-7.6744836078,-2.3344226175,0.053081866,0.053081866,GGA+U,Pmn2_1,ABC_oP18_31_3a_3a_3a:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_4a_5a_5a:F-Mn-O, expected Mn5O5F4 to be MnOF" +mp-850984,MnOF,-7.6800913578,-2.3400303675,0.047474116,0.047474116,GGA+U,Pmn2_1,ABC_oP18_31_ab_ab_ab:F-Mn-O,18.0,"Invalid WP multiplicities - ABC_oP18_31_2a2b_2a3b_2a2b:F-Mn-O, expected Mn4(OF)3 to be MnOF" +mp-1281811,MnOF,-7.6515968867,-2.3115358964,0.0759685871,0.0759685871,GGA+U,Pmn2_1,ABC_oP6_31_a_a_a:F-Mn-O,6.0,ABC_oP6_31_a_a_a:F-Mn-O +mp-758600,MnOF,-7.6557256025,-2.3156646122,0.0718398712,0.0718398712,GGA+U,Pna2_1,ABC_oP12_33_a_a_a:F-Mn-O,12.0,ABC_oP12_33_a_a_a:F-Mn-O +mp-755241,MnOF,-7.6826439958,-2.3425830056,0.0449214779,0.0449214779,GGA+U,Ama2,ABC_oC48_40_abc_abc_abc:F-Mn-O,24.0,ABC_oC48_40_ab2c_2a2bc_ab2c:F-Mn-O +mp-752469,MnOF,-7.628230745,-2.2881697547,0.0993347287,0.0993347287,GGA+U,Pmmn,ABC_oP6_59_a_b_a:F-Mn-O,6.0,ABC_oP6_59_a_b_a:F-Mn-O +mp-758951,MnOF,-7.6765462783,-2.3364852881,0.0510191954,0.0510191954,GGA+U,Pnma,ABC_oP12_62_c_c_c:F-Mn-O,12.0,ABC_oP12_62_c_c_c:F-Mn-O +mp-1277241,MnOF,-7.6672694525,-2.3272084622,0.0602960212,0.0602960212,GGA+U,Pnma,ABC_oP12_62_c_c_c:F-Mn-O,12.0,ABC_oP12_62_c_c_c:F-Mn-O +mp-755209,MnOF,-7.7069591908,-2.3668982006,0.0206062829,0.0206062829,GGA+U,Cmmm,ABC_oC12_65_g_ac_j:F-Mn-O,12.0,"Invalid WP multiplicities - ABC_oC12_65_g_2ac_j:F-Mn-O, expected Mn3(OF)2 to be MnOF" +mp-1273655,MnOF,-7.6979778692,-2.3579168789,0.0295876046,0.0295876046,GGA+U,Imma,ABC_oI12_74_e_e_e:F-Mn-O,12.0,ABC_oI12_74_e_e_e:F-Mn-O +mp-759601,MnOF,-7.6985634008,-2.3585024106,0.0290020729,0.0290020729,GGA+U,P4_12_12,ABC_tP12_92_a_a_a:F-Mn-O,12.0,ABC_tP12_92_a_a_a:F-Mn-O +mp-849665,Mn3OF8,-6.5205393081,-2.5434921142,0.0662742761,0.0662742761,GGA+U,P1,A8B3C_aP48_1_32a_12a_4a:F-Mn-O,48.0,A8B3C_aP48_1_32a_12a_4a:F-Mn-O +mp-759507,Mn3OF8,-6.5023948827,-2.5253476888,0.0844187016,0.0844187016,GGA+U,P-1,A8B3C_aP48_2_16i_ab5i_2i:F-Mn-O,48.0,"Invalid WP multiplicities - A8B3C_aP48_2_31i_ab9i_2i:F-Mn-O, expected Mn10O2F31 to be Mn3OF8" +mp-850899,Mn3OF8,-6.5224815296,-2.5454343356,0.0643320547,0.0643320547,GGA+U,Cc,A8B3C_mC48_9_8a_3a_a:F-Mn-O,24.0,"Invalid WP multiplicities - A8B3C_mC48_9_16a_3a_a:F-Mn-O, expected Mn3OF16 to be Mn3OF8" +mp-761223,Mn3OF8,-6.51404128,-2.536994086,0.0727723043,0.0727723043,GGA+U,C2/c,A8B3C_mC48_15_4f_af_e:F-Mn-O,24.0,"Invalid WP multiplicities - A8B3C_mC48_15_12f_af_e:F-Mn-O, expected Mn3OF24 to be Mn3OF8" +mp-1569263,Mn3(OF3)2,-6.8725729536,-2.4318186715,0.0729925393,0.0729925393,GGA+U,P-1,A6B3C2_aP22_2_6i_bd2i_2i:F-Mn-O,22.0,"Invalid WP multiplicities - A6B3C2_aP22_2_9i_bd3i_3i:F-Mn-O, expected Mn4(OF3)3 to be Mn3(OF3)2" +mp-1639489,Mn3(OF3)2,-6.8735833509,-2.4328290688,0.071982142,0.071982142,GGA+U,Pc,A6B3C2_mP22_7_6a_3a_2a:F-Mn-O,22.0,A6B3C2_mP22_7_12a_6a_4a:F-Mn-O +mp-767627,Mn3(OF3)2,-6.8719791309,-2.4312248488,0.073586362,0.073586362,GGA+U,P2_1/c,A6B3C2_mP22_14_3e_ae_e:F-Mn-O,22.0,"Invalid WP multiplicities - A6B3C2_mP22_14_9e_2a2e_e:F-Mn-O, expected Mn3OF9 to be Mn3(OF3)2" +mp-753608,Mn5O7F,-8.3566473785,-2.0221568856,0.0785620104,0.0785620104,GGA+U,R3m,AB5C7_hR39_160_a_2ab_a2b:F-Mn-O,13.0,"Invalid WP multiplicities - AB5C7_hR39_160_a_2a2b_a6b:F-Mn-O, expected Mn8O19F to be Mn5O7F" +mp-753904,Mn7O7F,-8.7444605193,-2.03296672,0.062368254,0.062368254,GGA+U,P3m1,AB7C7_hP15_156_a_4a3b_3a4b:F-Mn-O,15.0,AB7C7_hP15_156_a_4a3b_3a4b:F-Mn-O +mp-1211062,Mn(O2F)2,-5.7758609575,-1.0941855186,0.2178584489,0.2178584489,GGA+U,Pca2_1,A2BC4_oP28_29_2a_a_4a:F-Mn-O,28.0,A2BC4_oP28_29_2a_a_4a:F-Mn-O +mp-752592,Mn3O5F,-7.9571605289,-1.9426084844,0.057678434,0.057678434,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Mn-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Mn-O +mp-849466,Mn3O5F,-7.9589773683,-1.9444253239,0.0558615946,0.0558615946,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Mn-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Mn-O +mp-776095,Mn3O5F,-7.9526230661,-1.9380710217,0.0622158968,0.0622158968,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Mn-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Mn-O +mp-889216,Mn3O5F,-6.5918347256,-0.5772826811,1.4230042374,1.4230042374,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Mn-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Mn-O +mp-777399,Mn3O5F,-7.9567696633,-1.9422176189,0.0580692996,0.0580692996,GGA+U,P1,AB3C5_aP18_1_2a_6a_10a:F-Mn-O,18.0,AB3C5_aP18_1_2a_6a_10a:F-Mn-O +mp-752457,Mn3O5F,-7.9660839833,-1.9515319389,0.0487549796,0.0487549796,GGA+U,P-1,AB3C5_aP18_2_i_ab2i_5i:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ab3i_9i:F-Mn-O, expected Mn4O9F to be Mn3O5F" +mp-763365,Mn3O5F,-7.95703832,-1.9424862756,0.0578006429,0.0578006429,GGA+U,P-1,AB3C5_aP18_2_i_ae2i_5i:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ae3i_10i:F-Mn-O, expected Mn4O10F to be Mn3O5F" +mp-780636,Mn3O5F,-7.9521924789,-1.9376404344,0.062646484,0.062646484,GGA+U,P-1,AB3C5_aP18_2_i_ae2i_5i:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_ae3i_10i:F-Mn-O, expected Mn4O10F to be Mn3O5F" +mp-755964,Mn3O5F,-7.9532512756,-1.9386992311,0.0615876874,0.0615876874,GGA+U,P2_1,AB3C5_mP18_4_a_3a_5a:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mP18_4_a_6a_10a:F-Mn-O, expected Mn6O10F to be Mn3O5F" +mp-754497,Mn3O5F,-7.9560266939,-1.9414746494,0.058812269,0.058812269,GGA+U,Pm,AB3C5_mP18_6_ab_3a3b_5a5b:F-Mn-O,18.0,AB3C5_mP18_6_ab_3a3b_5a5b:F-Mn-O +mp-849339,Mn3O5F,-7.9581481917,-1.9435961472,0.0566907712,0.0566907712,GGA+U,Cm,AB3C5_mC36_8_2a_6a_4a3b:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_8_2a_6a_4a5b:F-Mn-O, expected Mn3O7F to be Mn3O5F" +mp-760998,Mn3O5F,-7.9640517767,-1.9494997322,0.0507871862,0.0507871862,GGA+U,P2/m,AB3C5_mP18_10_m_cemn_2m3n:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mP18_10_m_ae2mn_4m6n:F-Mn-O, expected Mn4O10F to be Mn3O5F" +mp-777599,Mn3O5F,-7.9614375389,-1.9468854944,0.053401424,0.053401424,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad3i_2g3i2j:F-Mn-O, expected Mn4O9F to be Mn3O5F" +mp-752860,Mn3O5F,-7.952027565,-1.9374755206,0.0628113979,0.0628113979,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad3i_g3i2j:F-Mn-O, expected Mn4O8F to be Mn3O5F" +mp-778828,Mn3O5F,-7.9618860244,-1.94733398,0.0529529385,0.0529529385,GGA+U,C2/m,AB3C5_mC36_12_i_ad2i_g2ij:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ac3i_2g4i2j:F-Mn-O, expected Mn4O10F to be Mn3O5F" +mp-754374,Mn3O5F,-7.9590117022,-1.9444596578,0.0558272607,0.0558272607,GGA+U,C2/m,AB3C5_mC36_12_i_ac2i_g2ij:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_mC36_12_i_ad4i_2g4i3j:F-Mn-O, expected Mn5O12F to be Mn3O5F" +mp-763303,Mn3O5F,-7.9558113094,-1.941259265,0.0590276535,0.0590276535,GGA+U,Pmn2_1,AB3C5_oP18_31_a_ab_a2b:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_oP18_31_a_2a3b_2a4b:F-Mn-O, expected Mn8O10F to be Mn3O5F" +mp-763316,Mn3O5F,-7.9620879883,-1.9475359439,0.0527509746,0.0527509746,GGA+U,Pmn2_1,AB3C5_oP18_31_a_3a_5a:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_oP18_31_a_5a_10a:F-Mn-O, expected Mn5O10F to be Mn3O5F" +mp-755866,Mn3O5F,-7.9578616572,-1.9433096128,0.0569773057,0.0569773057,GGA+U,Amm2,AB3C5_oC36_38_c_ab2c_2acef:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_oC36_38_c_ab3c_2ac2e2f:F-Mn-O, expected Mn4O8F to be Mn3O5F" +mp-778056,Mn3O5F,-7.9615801722,-1.9470281278,0.0532587907,0.0532587907,GGA+U,Cmmm,AB3C5_oC36_65_g_acgh_2gjq:F-Mn-O,18.0,"Invalid WP multiplicities - AB3C5_oC36_65_g_acg2h_4g2j2q:F-Mn-O, expected Mn4O10F to be Mn3O5F" +mp-754560,Mn3OF5,-7.3898505289,-2.7242805928,0.0504414557,0.0504414557,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Mn-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Mn-O +mp-1176457,Mn3OF5,-7.3958796856,-2.7303097494,0.044412299,0.044412299,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Mn-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Mn-O +mp-1176459,Mn3OF5,-7.391371665,-2.7258017289,0.0489203196,0.0489203196,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Mn-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Mn-O +mp-1176462,Mn3OF5,-7.3903756861,-2.72480575,0.0499162985,0.0499162985,GGA+U,P1,A5B3C_aP18_1_10a_6a_2a:F-Mn-O,18.0,A5B3C_aP18_1_10a_6a_2a:F-Mn-O +mp-752748,Mn3OF5,-7.3888686033,-2.7232986672,0.0514233813,0.0514233813,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_9i_ae2i_i:F-Mn-O, expected Mn3OF9 to be Mn3OF5" +mp-779095,Mn3OF5,-7.39742256,-2.7318526239,0.0428694246,0.0428694246,GGA+U,P-1,A5B3C_aP18_2_5i_ab2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_9i_ab3i_i:F-Mn-O, expected Mn4OF9 to be Mn3OF5" +mp-755502,Mn3OF5,-7.3919531872,-2.7263832511,0.0483387974,0.0483387974,GGA+U,P-1,A5B3C_aP18_2_5i_ae2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_aP18_2_10i_ae3i_i:F-Mn-O, expected Mn4OF10 to be Mn3OF5" +mp-764044,Mn3OF5,-7.3794017594,-2.7138318233,0.0608902251,0.0608902251,GGA+U,P2_1,A5B3C_mP18_4_5a_3a_a:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_4_10a_5a_a:F-Mn-O, expected Mn5OF10 to be Mn3OF5" +mp-752547,Mn3OF5,-7.3860284789,-2.7204585428,0.0542635057,0.0542635057,GGA+U,Pm,A5B3C_mP18_6_5a5b_3a3b_ab:F-Mn-O,18.0,A5B3C_mP18_6_5a5b_3a3b_ab:F-Mn-O +mp-752806,Mn3OF5,-7.3909243517,-2.7253544156,0.0493676329,0.0493676329,GGA+U,Cm,A5B3C_mC36_8_4a3b_6a_2a:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_8_4a5b_6a_2a:F-Mn-O, expected Mn3OF7 to be Mn3OF5" +mp-755261,Mn3OF5,-7.3924013272,-2.7268313911,0.0478906574,0.0478906574,GGA+U,P2/m,A5B3C_mP18_10_2m3n_cemn_m:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mP18_10_3m6n_aem2n_m:F-Mn-O, expected Mn4OF9 to be Mn3OF5" +mp-780664,Mn3OF5,-7.3894299722,-2.7238600361,0.0508620124,0.0508620124,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_g4i2j_ad3i_i:F-Mn-O, expected Mn4OF9 to be Mn3OF5" +mp-754394,Mn3OF5,-7.394175165,-2.7286052289,0.0461168196,0.0461168196,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g3i3j_ad4i_i:F-Mn-O, expected Mn5OF11 to be Mn3OF5" +mp-752839,Mn3OF5,-7.3953666494,-2.7297967133,0.0449253351,0.0449253351,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ad2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g4i2j_ac3i_i:F-Mn-O, expected Mn4OF10 to be Mn3OF5" +mp-763934,Mn3OF5,-7.4137192789,-2.7481493428,0.0265727057,0.0265727057,GGA+U,C2/m,A5B3C_mC36_12_g2ij_ac2i_i:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_mC36_12_2g3i2j_ad3i_i:F-Mn-O, expected Mn4OF9 to be Mn3OF5" +mp-755940,Mn3OF5,-7.3779926283,-2.7124226922,0.0622993563,0.0622993563,GGA+U,Pmn2_1,A5B3C_oP18_31_a2b_ab_a:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_oP18_31_2a3b_2ab_a:F-Mn-O, expected Mn4OF8 to be Mn3OF5" +mp-755589,Mn3OF5,-7.3911811911,-2.725611255,0.0491107935,0.0491107935,GGA+U,Pmn2_1,A5B3C_oP18_31_5a_3a_a:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_oP18_31_10a_5a_a:F-Mn-O, expected Mn5OF10 to be Mn3OF5" +mp-765731,Mn3OF5,-7.3900292106,-2.7244592744,0.050262774,0.050262774,GGA+U,Amm2,A5B3C_oC36_38_2acef_ab2c_c:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_oC36_38_2ac2e3f_ab3c_c:F-Mn-O, expected Mn4OF10 to be Mn3OF5" +mp-774172,Mn3OF5,-7.4081723983,-2.7426024622,0.0321195863,0.0321195863,GGA+U,Cmmm,A5B3C_oC36_65_2gjq_acgh_g:F-Mn-O,18.0,"Invalid WP multiplicities - A5B3C_oC36_65_3g2j3q_ac2gh_g:F-Mn-O, expected Mn4OF11 to be Mn3OF5" +mp-777369,Mn6O5F7,-7.5950831633,-2.4236449366,0.0606639381,0.0606639381,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-777516,Mn6O5F7,-7.5831504428,-2.411712216,0.0725966587,0.0725966587,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-849478,Mn6O5F7,-7.5762104242,-2.4047721974,0.0795366773,0.0795366773,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-849517,Mn6O5F7,-7.5710923133,-2.3996540866,0.0846547881,0.0846547881,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-780400,Mn6O5F7,-7.5807225031,-2.4092842763,0.0750245984,0.0750245984,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-780702,Mn6O5F7,-7.6049475322,-2.4335093055,0.0507995692,0.0507995692,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-754690,Mn6O5F7,-7.5915678006,-2.4201295738,0.0641793009,0.0641793009,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-752781,Mn6O5F7,-7.5948062389,-2.4233680122,0.0609408626,0.0609408626,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-849592,Mn6O5F7,-7.5667665883,-2.3953283616,0.0889805131,0.0889805131,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-849657,Mn6O5F7,-7.5701722244,-2.3987339977,0.085574877,0.085574877,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-777409,Mn6O5F7,-7.5844799722,-2.4130417455,0.0712671292,0.0712671292,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-764583,Mn6O5F7,-7.5909888789,-2.4195506522,0.0647582226,0.0647582226,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-756828,Mn6O5F7,-7.5847320639,-2.4132938372,0.0710150376,0.0710150376,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-780461,Mn6O5F7,-7.5711855183,-2.3997472916,0.0845615831,0.0845615831,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-759573,Mn6O5F7,-7.5935887889,-2.4221505622,0.0621583126,0.0621583126,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-753107,Mn6O5F7,-7.5885186656,-2.4170804388,0.0672284359,0.0672284359,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-752461,Mn6O5F7,-7.5946902161,-2.4232519894,0.0610568853,0.0610568853,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-779882,Mn6O5F7,-7.5712186281,-2.3997804013,0.0845284734,0.0845284734,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-780165,Mn6O5F7,-7.5759819953,-2.4045437685,0.0797651062,0.0797651062,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-780223,Mn6O5F7,-7.5750649361,-2.4036267094,0.0806821653,0.0806821653,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-759043,Mn6O5F7,-7.5708078214,-2.3993695947,0.0849392801,0.0849392801,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-753007,Mn6O5F7,-7.6035541939,-2.4321159672,0.0521929076,0.0521929076,GGA+U,P1,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O,18.0,A7B6C5_aP18_1_7a_6a_5a:F-Mn-O +mp-759277,Mn6O5F7,-7.5850698869,-2.4136316602,0.0706772145,0.0706772145,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-761014,Mn6O5F7,-7.5715324714,-2.4000942447,0.0842146301,0.0842146301,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-760022,Mn6O5F7,-7.5957614914,-2.4243232647,0.0599856101,0.0599856101,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-761077,Mn6O5F7,-7.5611724036,-2.3897341769,0.0945746978,0.0945746978,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-760138,Mn6O5F7,-7.5769928383,-2.4055546116,0.0787542631,0.0787542631,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-780768,Mn6O5F7,-7.5778343703,-2.4063961435,0.0779127312,0.0779127312,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-776980,Mn6O5F7,-7.6001252469,-2.4286870202,0.0556218545,0.0556218545,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-849519,Mn6O5F7,-7.5788684328,-2.407430206,0.0768786687,0.0768786687,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-777458,Mn6O5F7,-7.5600474325,-2.3886092058,0.095699669,0.095699669,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-775188,Mn6O5F7,-7.5868964656,-2.4154582388,0.0688506359,0.0688506359,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-759698,Mn6O5F7,-7.5784222856,-2.4069840588,0.0773248159,0.0773248159,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-761216,Mn6O5F7,-7.5788810494,-2.4074428227,0.076866052,0.076866052,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-759072,Mn6O5F7,-7.5757963458,-2.4043581191,0.0799507556,0.0799507556,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-759306,Mn6O5F7,-7.5867550167,-2.4153167899,0.0689920848,0.0689920848,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-764625,Mn6O5F7,-7.5802847542,-2.4088465274,0.0754623473,0.0754623473,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-849552,Mn6O5F7,-7.5796914492,-2.4082532224,0.0760556523,0.0760556523,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-850966,Mn6O5F7,-7.5785776631,-2.4071394363,0.0771694384,0.0771694384,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-1176450,Mn6O5F7,-7.5636230647,-2.392184838,0.0921240367,0.0921240367,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-1176464,Mn6O5F7,-7.5654559694,-2.3940177427,0.090291132,0.090291132,GGA+U,P1,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O,36.0,A7B6C5_aP36_1_14a_12a_10a:F-Mn-O +mp-755304,Mn6O5F7,-7.6095188761,-2.4380806494,0.0462282253,0.0462282253,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a4c_ab3c_a3c:F-Mn-O, expected Mn8O7F9 to be Mn6O5F7" +mp-780116,Mn6O5F7,-7.6100544611,-2.4386162344,0.0456926403,0.0456926403,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a3c_ab2c_a4c:F-Mn-O, expected Mn6O9F7 to be Mn6O5F7" +mp-754872,Mn6O5F7,-7.6135950872,-2.4421568605,0.0421520142,0.0421520142,GGA+U,C2,A7B6C5_mC36_5_a3c_ab2c_a2c:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_5_a5c_ab3c_a3c:F-Mn-O, expected Mn8O7F11 to be Mn6O5F7" +mp-780486,Mn6O5F7,-7.6049183378,-2.433480111,0.0508287637,0.0508287637,GGA+U,Pm,A7B6C5_mP18_6_a3c_ab2c_a2bc:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_mP18_6_a4c_ab2c_a2bc:F-Mn-O, expected Mn6O5F9 to be Mn6O5F7" +mp-778751,Mn6O5F7,-7.5756733306,-2.4042351038,0.0800737709,0.0800737709,GGA+U,Pc,A7B6C5_mP36_7_7a_6a_5a:F-Mn-O,36.0,"Invalid WP multiplicities - A7B6C5_mP36_7_14a_12a_8a:F-Mn-O, expected Mn6O4F7 to be Mn6O5F7" +mp-760362,Mn6O5F7,-7.5794151714,-2.4079769447,0.0763319301,0.0763319301,GGA+U,Pc,A7B6C5_mP36_7_7a_6a_5a:F-Mn-O,36.0,"Invalid WP multiplicities - A7B6C5_mP36_7_12a_12a_8a:F-Mn-O, expected Mn3O2F3 to be Mn6O5F7" +mp-759415,Mn6O5F7,-7.580838585,-2.4094003583,0.0749085165,0.0749085165,GGA+U,Pc,A7B6C5_mP36_7_7a_6a_5a:F-Mn-O,36.0,"Invalid WP multiplicities - A7B6C5_mP36_7_12a_12a_9a:F-Mn-O, expected Mn4O3F4 to be Mn6O5F7" +mp-777378,Mn6O5F7,-7.5746920317,-2.4032538049,0.0810550698,0.0810550698,GGA+U,Cm,A7B6C5_mC36_8_3a2b_6a_3ab:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_mC36_8_3a3b_6a_3a2b:F-Mn-O, expected Mn6O7F9 to be Mn6O5F7" +mp-765691,Mn6O5F7,-7.6120357844,-2.4405975577,0.043711317,0.043711317,GGA+U,Amm2,A7B6C5_oC36_38_aef_ab2c_a2c:F-Mn-O,18.0,"Invalid WP multiplicities - A7B6C5_oC36_38_a2e2f_ab3c_a2c:F-Mn-O, expected Mn8O5F13 to be Mn6O5F7" +mp-849383,Mn12O7F17,-7.4814497981,-2.5629457166,0.066569745,0.066569745,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-849482,Mn12O7F17,-7.4771067792,-2.5586026977,0.0709127639,0.0709127639,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-849485,Mn12O7F17,-7.4724514458,-2.5539473644,0.0755680972,0.0755680972,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-849518,Mn12O7F17,-7.4865559725,-2.5680518911,0.0614635705,0.0614635705,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-849545,Mn12O7F17,-7.4648756222,-2.5463715408,0.0831439208,0.0831439208,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-781618,Mn12O7F17,-7.4848090433,-2.5663049619,0.0632104997,0.0632104997,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-776981,Mn12O7F17,-7.4813426089,-2.5628385275000003,0.0666769341,0.0666769341,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-779344,Mn12O7F17,-7.4816886108,-2.5631845294,0.0663309322,0.0663309322,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-761088,Mn12O7F17,-7.4601523889,-2.5416483075,0.0878671541,0.0878671541,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-778183,Mn12O7F17,-7.4816875967,-2.5631835152,0.0663319464,0.0663319464,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-777823,Mn12O7F17,-7.4857028764,-2.567198795,0.0623166666,0.0623166666,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-778181,Mn12O7F17,-7.4785868814,-2.5600828,0.0694326616,0.0694326616,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-780104,Mn12O7F17,-7.4770855711,-2.5585814897,0.0709339719,0.0709339719,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-760038,Mn12O7F17,-7.4516395103,-2.5331354289,0.0963800327,0.0963800327,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-761043,Mn12O7F17,-7.4693646683,-2.5508605869,0.0786548747,0.0786548747,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-761005,Mn12O7F17,-7.467184445,-2.5486803636,0.080835098,0.080835098,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-759893,Mn12O7F17,-7.4751978297,-2.5566937483,0.0728217133,0.0728217133,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-760154,Mn12O7F17,-7.4686424183,-2.5501383369,0.0793771247,0.0793771247,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-774322,Mn12O7F17,-7.4727268528,-2.5542227714,0.0752926902,0.0752926902,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-760898,Mn12O7F17,-7.4665952708,-2.5480911894,0.0814242722,0.0814242722,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-775126,Mn12O7F17,-7.4687920983,-2.5502880169,0.0792274447,0.0792274447,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-764498,Mn12O7F17,-7.4714179147,-2.5529138333,0.0766016283,0.0766016283,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-764575,Mn12O7F17,-7.4751047381,-2.5566006566,0.072914805,0.072914805,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-850520,Mn12O7F17,-7.4730540628,-2.5545499814,0.0749654802,0.0749654802,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-850942,Mn12O7F17,-7.4972430619,-2.5787389805,0.0507764811,0.0507764811,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-850992,Mn12O7F17,-7.4709269544,-2.5524228730000003,0.0770925886,0.0770925886,GGA+U,P1,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O,36.0,A17B12C7_aP36_1_17a_12a_7a:F-Mn-O +mp-766870,Mn5O9F,-8.0025014473,-1.8530511921,0.0697922134,0.0697922134,GGA+U,P1,AB5C9_aP15_1_a_5a_9a:F-Mn-O,15.0,AB5C9_aP15_1_a_5a_9a:F-Mn-O +mp-760051,Mn3OF6,-7.0266259273,-2.636465088,0.0769299519,0.0769299519,GGA+U,P1,A6B3C_aP40_1_24a_12a_4a:F-Mn-O,40.0,A6B3C_aP40_1_24a_12a_4a:F-Mn-O +mp-759176,Mn3OF6,-7.003468963,-2.6133081238,0.1000869161,0.1000869161,GGA+U,P-1,A6B3C_aP20_2_6i_3i_i:F-Mn-O,20.0,"Invalid WP multiplicities - A6B3C_aP20_2_11i_5i_i:F-Mn-O, expected Mn5OF11 to be Mn3OF6" +mp-761159,Mn2OF2,-7.925543011,-2.5068075649,0.066132991,0.066132991,GGA+U,P1,A2B2C_aP40_1_16a_16a_8a:F-Mn-O,40.0,A2B2C_aP40_1_16a_16a_8a:F-Mn-O +mp-799543,Mn2OF2,-6.1469364613,-0.7282010152,1.8447395408,1.8447395408,GGA+U,P1,A2B2C_aP40_1_16a_16a_8a:F-Mn-O,40.0,A2B2C_aP40_1_16a_16a_8a:F-Mn-O +mp-759797,Mn2OF2,-7.93955205,-2.5208166039,0.052123952,0.052123952,GGA+U,Cc,A2B2C_mC20_9_2a_2a_a:F-Mn-O,10.0,"Invalid WP multiplicities - A2B2C_mC20_9_2a_4a_a:F-Mn-O, expected Mn4OF2 to be Mn2OF2" +mp-752516,Mn2OF2,-7.917653273,-2.4989178269,0.074022729,0.074022729,GGA+U,C2/c,A2B2C_mC60_15_3f_3f_ef:F-Mn-O,30.0,"Invalid WP multiplicities - A2B2C_mC60_15_5f_9f_ef:F-Mn-O, expected Mn18O3F10 to be Mn2OF2" +mp-1221601,MnO3F,-6.310202989,-1.1274909103,0.3329433077,0.3329433077,GGA+U,Cc,ABC3_mC20_9_a_a_3a:F-Mn-O,,"Invalid WP multiplicities - ABC3_mC20_9_a_a_4a:F-Mn-O, expected MnO4F to be MnO3F" +mp-1295109,Mn2OF4,-6.9500859214,-2.5334237549000003,0.0707130888,0.0707130888,GGA+U,P2_1,A4B2C_mP14_4_4a_2a_a:F-Mn-O,14.0,"Invalid WP multiplicities - A4B2C_mP14_4_7a_3a_a:F-Mn-O, expected Mn3OF7 to be Mn2OF4" +mp-752994,Mn2OF4,-6.9375682643,-2.5209060978,0.0832307459,0.0832307459,GGA+U,Cmc2_1,A4B2C_oC28_36_4a_2a_a:F-Mn-O,14.0,"Invalid WP multiplicities - A4B2C_oC28_36_7a_3a_a:F-Mn-O, expected Mn3OF7 to be Mn2OF4" +mp-778188,Mn12O17F7,-7.8330506417,-2.0714327425,0.0740607628,0.0740607628,GGA+U,P1,A7B12C17_aP36_1_7a_12a_17a:F-Mn-O,36.0,A7B12C17_aP36_1_7a_12a_17a:F-Mn-O +mp-760039,Mn12O17F7,-7.8341394267,-2.0725215275,0.0729719778,0.0729719778,GGA+U,P1,A7B12C17_aP36_1_7a_12a_17a:F-Mn-O,36.0,A7B12C17_aP36_1_7a_12a_17a:F-Mn-O +mp-755178,Mn3(OF2)2,-7.5130467533,-2.5102312901,0.0708819758,0.0708819758,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O +mp-850932,Mn3(OF2)2,-7.5198751261,-2.5170596629,0.0640536031,0.0640536031,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O +mp-760972,Mn3(OF2)2,-7.5154221117,-2.5126066485000003,0.0685066175,0.0685066175,GGA+U,P1,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O,18.0,A4B3C2_aP18_1_8a_6a_4a:F-Mn-O +mp-752480,Mn3(OF2)2,-7.5267694289,-2.5239539657,0.0571593003,0.0571593003,GGA+U,P-1,A4B3C2_aP18_2_4i_ae2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_7i_ae3i_3i:F-Mn-O, expected Mn4O3F7 to be Mn3(OF2)2" +mp-755250,Mn3(OF2)2,-7.5407050972,-2.537889634,0.0432236319,0.0432236319,GGA+U,P-1,A4B3C2_aP18_2_4i_ab2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_7i_ab3i_3i:F-Mn-O, expected Mn4O3F7 to be Mn3(OF2)2" +mp-1176480,Mn3(OF2)2,-7.5230691428,-2.5202536796,0.0608595864,0.0608595864,GGA+U,P-1,A4B3C2_aP18_2_4i_ae2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_8i_ae3i_3i:F-Mn-O, expected Mn4O3F8 to be Mn3(OF2)2" +mp-1282876,Mn3(OF2)2,-7.5311932,-2.5283777368,0.0527355292,0.0527355292,GGA+U,P-1,A4B3C2_aP18_2_4i_ae2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_aP18_2_6i_ae2i_3i:F-Mn-O, expected MnOF2 to be Mn3(OF2)2" +mp-1277628,Mn3(OF2)2,-7.5363455272,-2.533530064,0.0475832019,0.0475832019,GGA+U,P-1,A4B3C2_aP18_2_4i_be2i_2i:F-Mn-O,18.0,A4B3C2_mP18_14_2e_ae_e:F-Mn-O +mp-850205,Mn3(OF2)2,-7.5176778361,-2.5148623729,0.0662508931,0.0662508931,GGA+U,P2_1,A4B3C2_mP18_4_4a_3a_2a:F-Mn-O,18.0,A4B3C2_mP18_4_8a_6a_4a:F-Mn-O +mp-1292648,Mn3(OF2)2,-7.5295475739,-2.5267321107000003,0.0543811553,0.0543811553,GGA+U,P2_1,A4B3C2_mP18_4_4a_3a_2a:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mP18_4_5a_3a_3a:F-Mn-O, expected Mn3O3F5 to be Mn3(OF2)2" +mp-1301543,Mn3(OF2)2,-7.5244568417,-2.5216413785,0.0594718875,0.0594718875,GGA+U,P2_1,A4B3C2_mP18_4_4a_3a_2a:F-Mn-O,18.0,A4B3C2_mP18_4_8a_6a_4a:F-Mn-O +mp-755499,Mn3(OF2)2,-7.530862327799999,-2.5280468646000003,0.0530664014,0.0530664014,GGA+U,C2,A4B3C2_mC36_5_4c_ab2c_2ac:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_5_7c_ab3c_2ac:F-Mn-O, expected Mn4O2F7 to be Mn3(OF2)2" +mp-754788,Mn3(OF2)2,-7.5354216211,-2.5326061579,0.0485071081,0.0485071081,GGA+U,C2,A4B3C2_mC36_5_2a3c_ab2c_2c:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_5_2a5c_ab3c_2c:F-Mn-O, expected Mn2OF3 to be Mn3(OF2)2" +mp-780883,Mn3(OF2)2,-7.5314362417,-2.5286207785,0.0524924875,0.0524924875,GGA+U,C2/m,A4B3C2_mC36_12_gij_ac2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_12_gi2j_ad3i_3i:F-Mn-O, expected Mn4(OF2)3 to be Mn3(OF2)2" +mp-763989,Mn3(OF2)2,-7.5303199961,-2.5275045329,0.0536087331,0.0536087331,GGA+U,C2/m,A4B3C2_mC36_12_gij_ad2i_2i:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mC36_12_2gi4j_ac2i_4i:F-Mn-O, expected Mn3O4F11 to be Mn3(OF2)2" +mp-754271,Mn3(OF2)2,-7.539625215,-2.5368097518,0.0443035142,0.0443035142,GGA+U,P2_1/c,A4B3C2_mP18_14_2e_ae_e:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mP18_14_6e_2a3e_e:F-Mn-O, expected Mn4OF6 to be Mn3(OF2)2" +mp-752978,Mn3(OF2)2,-7.527703136099999,-2.5248876729000003,0.0562255931,0.0562255931,GGA+U,P2_1/c,A4B3C2_mP18_14_2e_ae_e:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_mP18_14_6e_2a3e_e:F-Mn-O, expected Mn4OF6 to be Mn3(OF2)2" +mp-759558,Mn3(OF2)2,-7.53218831,-2.5293728468000003,0.0517404192,0.0517404192,GGA+U,Pmn2_1,A4B3C2_oP18_31_2ab_ab_b:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_oP18_31_2a2b_2a3b_b:F-Mn-O, expected Mn4OF3 to be Mn3(OF2)2" +mp-778729,Mn3(OF2)2,-7.54122942,-2.5384139568,0.0426993092,0.0426993092,GGA+U,Pnnm,A4B3C2_oP18_58_2g_ag_g:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_oP18_58_7g_a2g_g:F-Mn-O, expected Mn5(OF7)2 to be Mn3(OF2)2" +mp-850398,Mn3(OF2)2,-7.4989301761,-2.4961147129,0.0849985531,0.0849985531,GGA+U,Cmmm,A4B3C2_oC36_65_2gq_acgh_gj:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_oC36_65_4g2q_acg2h_2g2j:F-Mn-O, expected MnOF2 to be Mn3(OF2)2" +mp-849358,Mn3(OF2)2,-7.5456990294,-2.5428835663,0.0382296997,0.0382296997,GGA+U,P4_2/mnm,A4B3C2_tP18_136_j_ae_f:F-Mn-O,18.0,"Invalid WP multiplicities - A4B3C2_tP18_136_j_2a2e_f:F-Mn-O, expected Mn3OF2 to be Mn3(OF2)2" +mp-2223159,Mn2O2F3,-7.1241956971,-2.2739321387,0.0812791275,0.0812791275,GGA+U,Cc,A3B2C2_mC28_9_3a_2a_2a:F-Mn-O,14.0,"Invalid WP multiplicities - A3B2C2_mC28_9_3a_2a_4a:F-Mn-O, expected Mn2O4F3 to be Mn2O2F3" +mp-753857,Mn2O2F3,-7.1197821136,-2.2695185551,0.0856927111,0.0856927111,GGA+U,C2/c,A3B2C2_mC28_15_ef_f_f:F-Mn-O,14.0,"Invalid WP multiplicities - A3B2C2_mC28_15_e2f_f_f:F-Mn-O, expected Mn2O2F5 to be Mn2O2F3" +mp-861713,Mn5(OF3)2,-7.7338683131,-2.5667661832,0.0974182823,0.0974182823,GGA+U,Cm,A6B5C2_mC26_8_6a_5a_2a:F-Mn-O,13.0,A6B5C2_mC26_8_6a_5a_2a:F-Mn-O +mp-780875,Mn8O13F3,-7.9247327188,-1.9523363652,0.0721516511,0.0721516511,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-781601,Mn8O13F3,-7.9216398388,-1.9492434852,0.0752445311,0.0752445311,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-781602,Mn8O13F3,-7.9233584808,-1.9509621273,0.073525889,0.073525889,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-849449,Mn8O13F3,-7.9220679429,-1.9496715894,0.0748164269,0.0748164269,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-779329,Mn8O13F3,-7.9251540208,-1.9527576673,0.071730349,0.071730349,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-779448,Mn8O13F3,-7.9224052588,-1.9500089052,0.0744791111,0.0744791111,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-850877,Mn8O13F3,-7.92132979,-1.9489334364,0.0755545798,0.0755545798,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-779298,Mn8O13F3,-7.9245227567,-1.9521264031,0.0723616132,0.0723616132,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-763224,Mn8O13F3,-7.9240615242,-1.9516651706,0.0728228457,0.0728228457,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-780867,Mn8O13F3,-7.9219245533,-1.9495281998,0.0749598165,0.0749598165,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-776960,Mn8O13F3,-7.9215233508,-1.9491269973,0.075361019,0.075361019,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-889388,Mn8O13F3,-6.6278841521,-0.6554877985,1.3690002178,1.3690002178,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-776958,Mn8O13F3,-7.9233338071,-1.9509374535,0.0735505628,0.0735505628,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-777370,Mn8O13F3,-7.9256653888,-1.9532690352,0.0712189811,0.0712189811,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-850360,Mn8O13F3,-7.9210604263,-1.9486640727,0.0758239436,0.0758239436,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-850897,Mn8O13F3,-7.9223071904,-1.9499108369,0.0745771794,0.0745771794,GGA+U,P1,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O,24.0,A3B8C13_aP24_1_3a_8a_13a:F-Mn-O +mp-776594,Mn8O13F3,-7.9478835071,-1.9754871535,0.0490008628,0.0490008628,GGA+U,Pm,A3B8C13_mP24_6_2ab_2a2b2c_2a3b4c:F-Mn-O,24.0,"Invalid WP multiplicities - A3B8C13_mP24_6_2ab_2a2b4c_2a3b8c:F-Mn-O, expected Mn4O7F to be Mn8O13F3" +mp-755126,Mn6O11F,-8.0374325961,-1.8542577881,0.0492247391,0.0492247391,GGA+U,P1,AB6C11_aP18_1_a_6a_11a:F-Mn-O,18.0,AB6C11_aP18_1_a_6a_11a:F-Mn-O +mp-754703,Mn6O11F,-8.0414617817,-1.8582869737,0.0451955535,0.0451955535,GGA+U,C2,AB6C11_mC36_5_a_ab2c_a5c:F-Mn-O,18.0,"Invalid WP multiplicities - AB6C11_mC36_5_a_ab3c_a8c:F-Mn-O, expected Mn8O17F to be Mn6O11F" +mp-755105,Mn6O11F,-8.0391004078,-1.8559255998,0.0475569274,0.0475569274,GGA+U,Cm,AB6C11_mC36_8_a_6a_5a3b:F-Mn-O,18.0,"Invalid WP multiplicities - AB6C11_mC36_8_a_6a_5a6b:F-Mn-O, expected Mn6O17F to be Mn6O11F" +mp-765698,Mn6O11F,-8.0355548061,-1.8523799981,0.0511025291,0.0511025291,GGA+U,Amm2,AB6C11_oC36_38_a_abde_a2d3e:F-Mn-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_ab2de_a3d6e:F-Mn-O, expected Mn8O19F to be Mn6O11F" +mp-759250,Mn6O11F,-8.0429459372,-1.8597711292,0.043711398,0.043711398,GGA+U,Amm2,AB6C11_oC36_38_a_3a3b_5a3e:F-Mn-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_3a3b_5a6e:F-Mn-O, expected Mn6O17F to be Mn6O11F" +mp-755164,Mn6O11F,-8.0393391772,-1.8561643692,0.047318158,0.047318158,GGA+U,Amm2,AB6C11_oC36_38_a_ab2c_a2cef:F-Mn-O,18.0,"Invalid WP multiplicities - AB6C11_oC36_38_a_ab3c_a2c2e3f:F-Mn-O, expected Mn8O21F to be Mn6O11F" +mp-754014,Mn4OF8,-7.0722352831,-2.6963443893,0.075881987,0.075881987,GGA+U,Cc,A8B4C_mC52_9_8a_4a_a:F-Mn-O,26.0,"Invalid WP multiplicities - A8B4C_mC52_9_16a_6a_a:F-Mn-O, expected Mn6OF16 to be Mn4OF8" +mp-763176,Mn3(O2F)2,-7.815286505,-2.1379799876,0.0559157133,0.0559157133,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O +mp-755174,Mn3(O2F)2,-7.7955780939,-2.1182715765,0.0756241244,0.0756241244,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O +mp-763216,Mn3(O2F)2,-7.7895285033,-2.112221986,0.081673715,0.081673715,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O +mp-755158,Mn3(O2F)2,-7.7884112267,-2.1111047093,0.0827909917,0.0827909917,GGA+U,P1,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O,18.0,A2B3C4_aP18_1_4a_6a_8a:F-Mn-O +mp-781677,Mn3(O2F)2,-7.8160573783,-2.138750861,0.05514484,0.05514484,GGA+U,P-1,A2B3C4_aP18_2_2i_ab2i_4i:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ab3i_6i:F-Mn-O, expected Mn4(O2F)3 to be Mn3(O2F)2" +mp-776548,Mn3(O2F)2,-7.8193876656,-2.1420811482,0.0518145528,0.0518145528,GGA+U,P-1,A2B3C4_aP18_2_2i_ab2i_4i:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ab3i_6i:F-Mn-O, expected Mn4(O2F)3 to be Mn3(O2F)2" +mp-754379,Mn3(O2F)2,-7.7927706128,-2.1154640954,0.0784316056,0.0784316056,GGA+U,P-1,A2B3C4_aP18_2_2i_ae2i_4i:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_3i_ae2i_7i:F-Mn-O, expected Mn3O7F3 to be Mn3(O2F)2" +mp-777401,Mn3(O2F)2,-7.8034520717,-2.1261455543,0.0677501467,0.0677501467,GGA+U,P-1,A2B3C4_aP18_2_2i_ae2i_4i:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_aP18_2_4i_ae3i_8i:F-Mn-O, expected MnO2F to be Mn3(O2F)2" +mp-759110,Mn3(O2F)2,-7.803180845,-2.1258743276,0.0680213733,0.0680213733,GGA+U,P2_1,A2B3C4_mP18_4_2a_3a_4a:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mP18_4_3a_6a_8a:F-Mn-O, expected Mn6O8F3 to be Mn3(O2F)2" +mp-758893,Mn3(O2F)2,-7.8030527822,-2.1257462649,0.0681494361,0.0681494361,GGA+U,C2,A2B3C4_mC36_5_2c_ab2c_2a3c:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_5_2c_ab3c_2a5c:F-Mn-O, expected Mn2O3F to be Mn3(O2F)2" +mp-755259,Mn3(O2F)2,-7.8141684844,-2.1368619671,0.0570337339,0.0570337339,GGA+U,Cm,A2B3C4_mC36_8_4a_6a_2a3b:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_8_4a_6a_2a5b:F-Mn-O, expected Mn3(O3F)2 to be Mn3(O2F)2" +mp-1301507,Mn3(O2F)2,-7.7772162217,-2.0999097043,0.0939859967,0.0939859967,GGA+U,Cm,A2B3C4_mC36_8_2ab_6a_4a2b:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_8_2a2b_6a_4a4b:F-Mn-O, expected MnO2F to be Mn3(O2F)2" +mp-777411,Mn3(O2F)2,-7.8152902228,-2.1379837054,0.0559119956,0.0559119956,GGA+U,C2/m,A2B3C4_mC36_12_2i_ad2i_gij:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_12_4i_ac3i_2g2i3j:F-Mn-O, expected Mn2O5F2 to be Mn3(O2F)2" +mp-759338,Mn3(O2F)2,-7.8028164906,-2.1255099732,0.0683857278,0.0683857278,GGA+U,C2/m,A2B3C4_mC36_12_2i_ac2i_gij:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mC36_12_3i_ad4i_2gi3j:F-Mn-O, expected Mn5(O3F)3 to be Mn3(O2F)2" +mp-755042,Mn3(O2F)2,-7.805020245,-2.1277137276,0.0661819733,0.0661819733,GGA+U,P2_1/c,A2B3C4_mP18_14_e_ae_2e:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mP18_14_e_2ae_7e:F-Mn-O, expected Mn2O7F to be Mn3(O2F)2" +mp-1176476,Mn3(O2F)2,-7.80019314,-2.1228866226,0.0710090783,0.0710090783,GGA+U,P2_1/c,A2B3C4_mP18_14_e_ae_2e:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_mP18_14_e_2a3e_6e:F-Mn-O, expected Mn4O6F to be Mn3(O2F)2" +mp-752630,Mn3(O2F)2,-7.8019940122,-2.1246874949,0.0692082061,0.0692082061,GGA+U,Pmn2_1,A2B3C4_oP18_31_b_ab_2ab:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_oP18_31_b_2a3b_3ab:F-Mn-O, expected Mn8O5F2 to be Mn3(O2F)2" +mp-763274,Mn3(O2F)2,-7.8259361389,-2.1486296215,0.0452660794,0.0452660794,GGA+U,Pnnm,A2B3C4_oP18_58_g_ag_2g:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_oP18_58_g_2a2g_7g:F-Mn-O, expected Mn3O7F to be Mn3(O2F)2" +mp-755785,Mn3(O2F)2,-7.7822481844,-2.1049416671,0.0889540339,0.0889540339,GGA+U,Cmmm,A2B3C4_oC36_65_gj_acgh_2gq:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_oC36_65_2g2j_ac2g2h_3g2q:F-Mn-O, expected Mn5O7F4 to be Mn3(O2F)2" +mp-1304764,Mn3(O2F)2,-7.7828536856,-2.1055471682,0.0883485328,0.0883485328,GGA+U,Cmmm,A2B3C4_oC36_65_gj_ackl_no:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_oC36_65_2gj_ac2k2l_n2o:F-Mn-O, expected Mn5(O2F)3 to be Mn3(O2F)2" +mp-1310207,Mn3(O2F)2,-7.7761202933,-2.098813776,0.095081925,0.095081925,GGA+U,P4_2nm,A2B3C4_tP18_102_c_3a_2c:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_tP18_102_c_6a_6c:F-Mn-O, expected Mn3O6F to be Mn3(O2F)2" +mp-780777,Mn3(O2F)2,-7.7893723511,-2.1120658338,0.0818298672,0.0818298672,GGA+U,P4_2/mnm,A2B3C4_tP18_136_f_ae_j:F-Mn-O,18.0,"Invalid WP multiplicities - A2B3C4_tP18_136_f_2a3e_j:F-Mn-O, expected Mn4O2F to be Mn3(O2F)2" +mp-1305060,Mn5O3F5,-7.8725183823,-2.4719385799,0.09738207,0.09738207,GGA+U,P1,A5B5C3_aP26_1_10a_10a_6a:F-Mn-O,26.0,A5B5C3_aP26_1_10a_10a_6a:F-Mn-O +mp-752519,Mn5O3F5,-7.8693631308,-2.4687833283,0.1005373215,0.1005373215,GGA+U,Cm,A5B5C3_mC26_8_a2b_3ab_3a:F-Mn-O,13.0,A5B5C3_mC26_8_a2b_3ab_3a:F-Mn-O +mp-1277673,Mn5O3F5,-7.8800771531,-2.4794973506,0.0898232992,0.0898232992,GGA+U,Cm,A5B5C3_mC26_8_3ab_3ab_ab:F-Mn-O,26.0,"Invalid WP multiplicities - A5B5C3_mC26_8_3a2b_3ab_a2b:F-Mn-O, expected Mn5O5F7 to be Mn5O3F5" +mp-1292551,Mn5O3F5,-7.8778226758,-2.4772428733,0.0920777765,0.0920777765,GGA+U,Cc,A5B5C3_mC52_9_5a_5a_3a:F-Mn-O,26.0,"Invalid WP multiplicities - A5B5C3_mC52_9_7a_10a_5a:F-Mn-O, expected Mn10O5F7 to be Mn5O3F5" +mp-754132,Mn5O3F5,-7.8692491827,-2.4686693803,0.1006512696,0.1006512696,GGA+U,R3m,A5B5C3_hR39_160_2ab_2ab_b:F-Mn-O,26.0,"Invalid WP multiplicities - A5B5C3_hR39_160_2ab_2a2b_b:F-Mn-O, expected Mn8O3F5 to be Mn5O3F5" +mp-754441,Mn2O3F,-7.8769282888,-2.0309990079,0.0660923019,0.0660923019,GGA+U,P1,AB2C3_aP24_1_4a_8a_12a:F-Mn-O,24.0,AB2C3_aP24_1_4a_8a_12a:F-Mn-O +mp-776498,Mn2O3F,-7.8862280354,-2.0402987545,0.0567925552,0.0567925552,GGA+U,C2,AB2C3_mC48_5_abc_ab3c_ab5c:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_5_ab2c_ab6c_ab9c:F-Mn-O, expected Mn7O10F3 to be Mn2O3F" +mp-1176655,Mn2O3F,-7.8867934872,-2.0408642063,0.0562271034,0.0562271034,GGA+U,C2,AB2C3_mC36_5_ac_ab2c_a4c:F-Mn-O,18.0,"Invalid WP multiplicities - AB2C3_mC36_5_ac_ab3c_a7c:F-Mn-O, expected Mn8(O5F)3 to be Mn2O3F" +mp-760903,Mn2O3F,-7.8750812079,-2.029151927,0.0679393827,0.0679393827,GGA+U,C2/m,AB2C3_mC48_12_2i_abij_2i2j:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_2i_ab2i2j_4i5j:F-Mn-O, expected Mn7(O7F)2 to be Mn2O3F" +mp-779352,Mn2O3F,-7.8803598425,-2.0344305616,0.0626607481,0.0626607481,GGA+U,C2/m,AB2C3_mC48_12_gi_ad3i_h3ij:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_gi_ac4i_2h6i3j:F-Mn-O, expected Mn5(O7F)2 to be Mn2O3F" +mp-759993,Mn2O3F,-7.85335656,-2.0074272791,0.0896640306,0.0896640306,GGA+U,C2/m,AB2C3_mC24_12_i_abf_ij:F-Mn-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_abe_2ij:F-Mn-O, expected Mn2O4F to be Mn2O3F" +mp-779013,Mn2O3F,-7.8710731204,-2.0251438395,0.0719474702,0.0719474702,GGA+U,C2/m,AB2C3_mC48_12_2i_abij_2i2j:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mC48_12_3i_abij_4i5j:F-Mn-O, expected Mn4O14F3 to be Mn2O3F" +mp-755910,Mn2O3F,-7.8620448508,-2.0161155699,0.0809757398,0.0809757398,GGA+U,P2_1/c,AB2C3_mP24_14_e_ade_3e:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_2ab3e_11e:F-Mn-O, expected Mn9(O11F)2 to be Mn2O3F" +mp-763008,Mn2O3F,-7.8824167494,-2.0364874685,0.0606038412,0.0606038412,GGA+U,Amm2,AB2C3_oC36_38_ac_ab2c_acef:F-Mn-O,18.0,"Invalid WP multiplicities - AB2C3_oC36_38_ac_ab3c_ac2e2f:F-Mn-O, expected Mn8(O5F)3 to be Mn2O3F" +mp-754423,Mn2O3F,-7.8834961567,-2.0375668758,0.059524434,0.059524434,GGA+U,Amm2,AB2C3_oC48_38_abc_ab3c_abc2f:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_38_ab2c_ab3c_ab2c4f:F-Mn-O, expected Mn4O11F3 to be Mn2O3F" +mp-754574,Mn2O3F,-7.884801098,-2.0388718171,0.0582194926,0.0582194926,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Mn-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a4c_ab6c_a2c2e6f:F-Mn-O, expected Mn14(O11F3)3 to be Mn2O3F" +mp-754050,Mn2O3F,-7.8863206833,-2.0403914024,0.0566999073,0.0566999073,GGA+U,Amm2,AB2C3_oC12_38_a_ab_ae:F-Mn-O,6.0,AB2C3_oC12_38_a_ab_ae:F-Mn-O +mp-764435,Mn2O3F,-7.8841274997,-2.0381982188,0.058893091,0.058893091,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Mn-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a2c_ab4c_a3c2e6f:F-Mn-O, expected Mn2O7F to be Mn2O3F" +mp-764913,Mn2O3F,-7.8809472977,-2.0350180168,0.062073293,0.062073293,GGA+U,Amm2,AB2C3_oC60_38_a2c_ab4c_a2ce2f:F-Mn-O,30.0,"Invalid WP multiplicities - AB2C3_oC60_38_a2c_ab6c_a2c2e6f:F-Mn-O, expected Mn14O33F5 to be Mn2O3F" +mp-767610,Mn2O3F,-7.8764186675,-2.0304893866,0.0666019231,0.0666019231,GGA+U,Pnma,AB2C3_oP24_62_c_ac_cd:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_2a2c_2c3d:F-Mn-O, expected Mn4O8F to be Mn2O3F" +mp-753074,Mn2O3F,-7.8797936779,-2.033864397,0.0632269127,0.0632269127,GGA+U,Cmcm,AB2C3_oC48_63_f_acf_efg:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_63_f_2a2cf_4e2f4g:F-Mn-O, expected Mn3O10F to be Mn2O3F" +mp-783906,Mn2O3F,-7.8861912925,-2.0402620116,0.0568292981,0.0568292981,GGA+U,Cmcm,AB2C3_oC24_63_c_ac_ce:F-Mn-O,12.0,"Invalid WP multiplicities - AB2C3_oC24_63_c_ac_2ce:F-Mn-O, expected Mn2O4F to be Mn2O3F" +mp-782666,Mn2O3F,-7.8537842204,-2.0078549395,0.0892363702,0.0892363702,GGA+U,Cmcm,AB2C3_oC48_63_2c_2cg_2ch:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_63_2c_3c2g_4c2h:F-Mn-O, expected Mn7(O6F)2 to be Mn2O3F" +mp-760225,Mn2O3F,-7.8672033917,-2.0212741108,0.075817199,0.075817199,GGA+U,Cmmm,AB2C3_oC48_65_gh_abehj_ghmn:F-Mn-O,24.0,"Invalid WP multiplicities - AB2C3_oC48_65_2g2h_abe2hj_g2h3m2n:F-Mn-O, expected Mn5O13F4 to be Mn2O3F" +mp-1176477,Mn2O3F,-7.88805952,-2.0421302391,0.0549610706,0.0549610706,GGA+U,Imma,AB2C3_oI24_74_e_ae_ef:F-Mn-O,12.0,"Invalid WP multiplicities - AB2C3_oI24_74_e_ae_2ef:F-Mn-O, expected Mn2O4F to be Mn2O3F" +mp-27807,Mn2O2F9,-5.4711425019,-1.9772410624,0.0,-0.0748248275,GGA+U,C2/c,A9B2C2_mC104_15_9f_2f_2f:F-Mn-O,52.0,"Invalid WP multiplicities - A9B2C2_mC104_15_15f_3f_2f:F-Mn-O, expected Mn3O2F15 to be Mn2O2F9" +mp-756709,MnOF2,-6.636567395,-2.1536519104,0.1424250328,0.1424250328,GGA+U,P2_1/c,A2BC_mP16_14_2e_e_e:F-Mn-O,16.0,"Invalid WP multiplicities - A2BC_mP16_14_3e_e_e:F-Mn-O, expected MnOF3 to be MnOF2" +mp-849479,Mn6O7F5,-7.7115017364,-2.2028179826,0.0878821097,0.0878821097,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-849538,Mn6O7F5,-7.7194600583,-2.2107763045,0.0799237877,0.0799237877,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-755228,Mn6O7F5,-7.7227501917,-2.2140664379,0.0766336544,0.0766336544,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-762572,Mn6O7F5,-7.7208294631,-2.2121457092,0.078554383,0.078554383,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-765618,Mn6O7F5,-7.74459065,-2.2359068962,0.054793196,0.054793196,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-765702,Mn6O7F5,-7.7210749278,-2.212391174,0.0783089183,0.0783089183,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-850976,Mn6O7F5,-7.7206226878,-2.211938934,0.0787611583,0.0787611583,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-850991,Mn6O7F5,-7.7279684764,-2.2192847226,0.0714153697,0.0714153697,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-755424,Mn6O7F5,-7.7357146022,-2.2270308484,0.0636692438,0.0636692438,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-850830,Mn6O7F5,-7.7200138739,-2.2113301201,0.0793699722,0.0793699722,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-759746,Mn6O7F5,-7.7479371644,-2.2392534106,0.0514466816,0.0514466816,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-764009,Mn6O7F5,-7.7326092989,-2.2239255451,0.0667745472,0.0667745472,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-755080,Mn6O7F5,-7.7415882667,-2.2329045129,0.0577955794,0.0577955794,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-754371,Mn6O7F5,-7.7282843878,-2.219600634,0.0710994583,0.0710994583,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-754830,Mn6O7F5,-7.7249687378,-2.216284984,0.0744151083,0.0744151083,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-778702,Mn6O7F5,-7.7145539372,-2.2058701834,0.0848299088,0.0848299088,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-780133,Mn6O7F5,-7.7155239153,-2.2068401615,0.0838599308,0.0838599308,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-780185,Mn6O7F5,-7.7186124439,-2.2099286901,0.0807714022,0.0807714022,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-778904,Mn6O7F5,-7.7161868892,-2.2075031354,0.0831969569,0.0831969569,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-759532,Mn6O7F5,-7.7174694822,-2.2087857284,0.0819143638,0.0819143638,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-759257,Mn6O7F5,-7.7201709239,-2.2114871701,0.0792129222,0.0792129222,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-755773,Mn6O7F5,-7.7259037722,-2.2172200184,0.0734800738,0.0734800738,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-755791,Mn6O7F5,-7.7179035389,-2.2092197851,0.0814803072,0.0814803072,GGA+U,P1,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O,18.0,A5B6C7_aP18_1_5a_6a_7a:F-Mn-O +mp-759240,Mn6O7F5,-7.7207365653,-2.2120528115,0.0786472808,0.0786472808,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-761072,Mn6O7F5,-7.7109858233,-2.2023020695,0.0883980227,0.0883980227,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-774398,Mn6O7F5,-7.7131861561,-2.2045024023,0.0861976899,0.0861976899,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-764574,Mn6O7F5,-7.7138872408,-2.205203487,0.0854966052,0.0854966052,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-759999,Mn6O7F5,-7.7160461286,-2.2073623748,0.0833377174,0.0833377174,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-764751,Mn6O7F5,-7.7141597333,-2.2054759795,0.0852241127,0.0852241127,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-849713,Mn6O7F5,-7.7193936617,-2.2107099079,0.0799901844,0.0799901844,GGA+U,P1,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O,36.0,A5B6C7_aP36_1_10a_12a_14a:F-Mn-O +mp-754828,Mn6O7F5,-7.7384377694,-2.2297540156,0.0609460766,0.0609460766,GGA+U,C2,A5B6C7_mC36_5_a2c_ab2c_a3c:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_5_a4c_ab3c_a5c:F-Mn-O, expected Mn8O11F9 to be Mn6O7F5" +mp-755852,Mn6O7F5,-7.7379553022,-2.2292715484,0.0614285438,0.0614285438,GGA+U,C2,A5B6C7_mC36_5_a2c_ab2c_a3c:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_5_a4c_ab3c_a3c:F-Mn-O, expected Mn8O7F9 to be Mn6O7F5" +mp-754612,Mn6O7F5,-7.7478171306,-2.2391333767,0.0515667155,0.0515667155,GGA+U,Pm,A5B6C7_mP18_6_a2bc_ab2c_a3c:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_mP18_6_a2bc_ab3c_a3c:F-Mn-O, expected Mn8O7F5 to be Mn6O7F5" +mp-764169,Mn6O7F5,-7.7145279756,-2.2058442217,0.0848558705,0.0848558705,GGA+U,Pc,A5B6C7_mP36_7_5a_6a_7a:F-Mn-O,36.0,"Invalid WP multiplicities - A5B6C7_mP36_7_8a_12a_14a:F-Mn-O, expected Mn6O7F4 to be Mn6O7F5" +mp-849629,Mn6O7F5,-7.7205983139,-2.2119145601,0.0787855322,0.0787855322,GGA+U,Pc,A5B6C7_mP36_7_5a_6a_7a:F-Mn-O,36.0,"Invalid WP multiplicities - A5B6C7_mP36_7_9a_10a_12a:F-Mn-O, expected Mn10(O4F3)3 to be Mn6O7F5" +mp-777571,Mn6O7F5,-7.7226366778,-2.213952924,0.0767471683,0.0767471683,GGA+U,Cm,A5B6C7_mC36_8_3ab_6a_3a2b:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_8_3ab_6a_3a4b:F-Mn-O, expected Mn6O11F5 to be Mn6O7F5" +mp-754821,Mn6O7F5,-7.75210471,-2.2434209562,0.047279136,0.047279136,GGA+U,Cm,A5B6C7_mC36_8_5a_6a_a3b:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_mC36_8_5a_6a_a5b:F-Mn-O, expected Mn6O11F5 to be Mn6O7F5" +mp-764103,Mn6O7F5,-7.7474198478,-2.238736094,0.0519639983,0.0519639983,GGA+U,Amm2,A5B6C7_oC36_38_a2c_ab2c_aef:F-Mn-O,18.0,"Invalid WP multiplicities - A5B6C7_oC36_38_a2c_ab3c_a2e2f:F-Mn-O, expected Mn8O13F5 to be Mn6O7F5" +mp-883909,Mn5OF11,-4.2065854753,0.0159459255,2.7868510636,2.7868510636,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-754167,Mn5OF11,-6.9378837465,-2.7153523456,0.0555527924,0.0555527924,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-754178,Mn5OF11,-6.9260486735,-2.7035172727,0.0673878654,0.0673878654,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-802236,Mn5OF11,-5.3098896229,-1.0873582221,1.683546916,1.683546916,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-1345203,Mn5OF11,-5.3840497165,-1.1615183156,1.6093868224,1.6093868224,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-1371307,Mn5OF11,-6.2728254241,-2.0502940233,0.7206111148000001,0.7206111148000001,GGA+U,P1,A11B5C_aP17_1_11a_5a_a:F-Mn-O,17.0,A11B5C_aP17_1_11a_5a_a:F-Mn-O +mp-752492,Mn4O3F5,-7.5709182017,-2.4837913567,0.0489197136,0.0489197136,GGA+U,Imm2,A5B4C3_oI24_44_ae_abc_a2b:F-Mn-O,12.0,"Invalid WP multiplicities - A5B4C3_oI24_44_a2e_abc_a2b:F-Mn-O, expected Mn4(OF3)3 to be Mn4O3F5" +mp-1212257,NpMn(OF2)3,-6.8493881445,-2.4476849707,0.2762210318,0.2762210318,GGA+U,C2,A6BCD3_mC44_5_6c_c_ab_ab2c:F-Mn-Np-O,22.0,A6BCD3_mC44_5_6c_c_ab_ab2c:F-Mn-Np-O +mp-849399,Mn2OF3,-7.4383204487,-2.604127749,0.0737899082,0.0737899082,GGA+U,P1,A3B2C_aP30_1_15a_10a_5a:F-Mn-O,30.0,A3B2C_aP30_1_15a_10a_5a:F-Mn-O +mp-780697,Mn2OF3,-7.4372000583,-2.6030073587,0.0749102985,0.0749102985,GGA+U,P1,A3B2C_aP30_1_15a_10a_5a:F-Mn-O,30.0,A3B2C_aP30_1_15a_10a_5a:F-Mn-O +mp-780862,Mn2OF3,-7.4406462053,-2.6064535057,0.0714641515,0.0714641515,GGA+U,P1,A3B2C_aP30_1_15a_10a_5a:F-Mn-O,30.0,A3B2C_aP30_1_15a_10a_5a:F-Mn-O +mp-766557,Mn2OF3,-7.4415323413,-2.6073396417,0.0705780155,0.0705780155,GGA+U,P1,A3B2C_aP30_1_15a_10a_5a:F-Mn-O,30.0,A3B2C_aP30_1_15a_10a_5a:F-Mn-O +mp-780692,Mn2OF3,-7.4548383125,-2.6206456129,0.0572720444,0.0572720444,GGA+U,C2/m,A3B2C_mC48_12_2i2j_abij_2i:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_12_4i6j_ab2i2j_2i:F-Mn-O, expected Mn7(OF8)2 to be Mn2OF3" +mp-776552,Mn2OF3,-7.4552698775,-2.6210771779,0.0568404794,0.0568404794,GGA+U,C2/m,A3B2C_mC48_12_2i2j_abij_2i:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_12_4i6j_ab2ij_3i:F-Mn-O, expected Mn5O3F16 to be Mn2OF3" +mp-777772,Mn2OF3,-7.4604433021,-2.6262506024,0.0516670548,0.0516670548,GGA+U,C2/m,A3B2C_mC48_12_g3ij_ad3i_hi:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_mC48_12_2g5i3j_ac6i_2hi:F-Mn-O, expected Mn7O3F13 to be Mn2OF3" +mp-775020,Mn2OF3,-7.4327060692,-2.5985133695,0.0794042877,0.0794042877,GGA+U,C2/m,A3B2C_mC24_12_ij_abf_i:F-Mn-O,12.0,"Invalid WP multiplicities - A3B2C_mC24_12_i2j_abe_i:F-Mn-O, expected Mn2OF5 to be Mn2OF3" +mp-849460,Mn2OF3,-7.4415,-2.6073073004,0.0706103569,0.0706103569,GGA+U,P2_1/c,A3B2C_mP24_14_3e_ade_e:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_mP24_14_11e_2a2b2e_e:F-Mn-O, expected Mn4OF11 to be Mn2OF3" +mp-753938,Mn2OF3,-7.4147825242,-2.5805898245,0.0973278327,0.0973278327,GGA+U,Pmc2_1,A3B2C_oP12_26_a2b_ab_a:F-Mn-O,12.0,"Invalid WP multiplicities - A3B2C_oP12_26_a4b_ab_a:F-Mn-O, expected Mn2OF5 to be Mn2OF3" +mp-763007,Mn2OF3,-7.4626643744,-2.6284716748,0.0494459824,0.0494459824,GGA+U,Amm2,A3B2C_oC36_38_acef_ab2c_ac:F-Mn-O,18.0,"Invalid WP multiplicities - A3B2C_oC36_38_ac2e4f_ab2c_ac:F-Mn-O, expected Mn6O3F23 to be Mn2OF3" +mp-760341,Mn2OF3,-7.4541930263,-2.6200003267,0.0579173305,0.0579173305,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Mn-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a3c2e7f_ab6c_a3c:F-Mn-O, expected Mn14O7F39 to be Mn2OF3" +mp-849342,Mn2OF3,-7.4661651157,-2.631972416,0.0459452412,0.0459452412,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Mn-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a2c2e5f_ab6c_a2c:F-Mn-O, expected Mn14O5F29 to be Mn2OF3" +mp-777326,Mn2OF3,-7.4568678629,-2.6226751633000003,0.055242494,0.055242494,GGA+U,Amm2,A3B2C_oC48_38_abc2f_ab3c_abc:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_38_ab2c6f_ab6c_ab2c:F-Mn-O, expected Mn7(OF5)3 to be Mn2OF3" +mp-850904,Mn2OF3,-7.4550686507,-2.620875951,0.0570417062,0.0570417062,GGA+U,Amm2,A3B2C_oC60_38_a2ce2f_ab4c_a2c:F-Mn-O,30.0,"Invalid WP multiplicities - A3B2C_oC60_38_a3c2e7f_ab8c_a3c:F-Mn-O, expected Mn18O7F39 to be Mn2OF3" +mp-754070,Mn2OF3,-7.463545253699999,-2.6293525541,0.0485651031,0.0485651031,GGA+U,Pnma,A3B2C_oP24_62_cd_ac_c:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oP24_62_cd_2a2c_c:F-Mn-O, expected Mn4OF3 to be Mn2OF3" +mp-752756,Mn2OF3,-7.4558045362,-2.6216118366,0.0563058206,0.0563058206,GGA+U,Pnma,A3B2C_oP24_62_cd_ac_c:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oP24_62_cd_2a2c_c:F-Mn-O, expected Mn4OF3 to be Mn2OF3" +mp-781060,Mn2OF3,-7.4570955417,-2.622902842,0.0550148152,0.0550148152,GGA+U,Cmcm,A3B2C_oC48_63_efg_acf_f:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_63_4ef4g_acf_f:F-Mn-O, expected Mn2OF9 to be Mn2OF3" +mp-755849,Mn2OF3,-7.4326542754,-2.5984615758,0.0794560815,0.0794560815,GGA+U,Cmcm,A3B2C_oC48_63_2ch_2cg_2c:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_63_3c2h_3c2g_4c:F-Mn-O, expected Mn7O4F11 to be Mn2OF3" +mp-850855,Mn2OF3,-7.473111085,-2.6389183854,0.0389992719,0.0389992719,GGA+U,Cmcm,A3B2C_oC24_63_ce_ac_c:F-Mn-O,12.0,"Invalid WP multiplicities - A3B2C_oC24_63_c2e_ac_c:F-Mn-O, expected Mn2OF5 to be Mn2OF3" +mp-755506,Mn2OF3,-7.4478973487,-2.6137046491,0.0642130081,0.0642130081,GGA+U,Cmmm,A3B2C_oC48_65_ghmn_abehj_gh:F-Mn-O,24.0,"Invalid WP multiplicities - A3B2C_oC48_65_2g2h3m2n_abe2hj_gh:F-Mn-O, expected Mn5(OF7)2 to be Mn2OF3" +mp-755331,Mn2OF3,-7.47484947,-2.6406567704,0.0372608869,0.0372608869,GGA+U,Imma,A3B2C_oI24_74_ef_ae_e:F-Mn-O,12.0,"Invalid WP multiplicities - A3B2C_oI24_74_e2f_ae_e:F-Mn-O, expected Mn2OF5 to be Mn2OF3" +mp-752737,Mn2OF3,-7.444479731699999,-2.610287032,0.0676306252,0.0676306252,GGA+U,P-3m1,A3B2C_hP12_164_i_af_d:F-Mn-O,12.0,A3B2C_hP12_164_i_af_d:F-Mn-O +mp-753550,Mn5O5F,-8.6698300764,-2.0830119869,0.0543156527,0.0543156527,GGA+U,P3m1,AB5C5_hP11_156_a_3a2b_2a3b:F-Mn-O,11.0,AB5C5_hP11_156_a_3a2b_2a3b:F-Mn-O +mp-752976,Mn4OF6,-7.5907009791,-2.7667351896,0.0218727891,0.0218727891,GGA+U,P4_2/nmc,A6B4C_tP22_137_df_g_a:F-Mn-O,22.0,A6B4C_tP22_137_df_g_a:F-Mn-O +mp-754215,Mn4OF6,-7.5337806914,-2.7098149019,0.0787930768,0.0787930768,GGA+U,P6_3mc,A6B4C_hP22_186_2c_bc_b:F-Mn-O,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_2c_2b2c_b:F-Mn-O, expected Mn8OF6 to be Mn4OF6" +mp-774320,Mn12O5F19,-7.4073443761,-2.6574630582000003,0.0688567946,0.0688567946,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-849549,Mn12O5F19,-7.4120048972,-2.6621235793,0.0641962735,0.0641962735,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-849284,Mn12O5F19,-7.4070980831,-2.6572167652000003,0.0691030877,0.0691030877,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-780464,Mn12O5F19,-7.4101496644,-2.6602683466,0.0660515063,0.0660515063,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-778479,Mn12O5F19,-7.4076155286,-2.6577342107,0.0685856421,0.0685856421,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-780481,Mn12O5F19,-7.4082315825,-2.6583502646,0.0679695882,0.0679695882,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-778930,Mn12O5F19,-7.4049980911,-2.6551167732,0.0712030796,0.0712030796,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-780511,Mn12O5F19,-7.4039480572,-2.6540667393,0.0722531135,0.0722531135,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-759171,Mn12O5F19,-7.3995593631,-2.6496780452,0.0766418077,0.0766418077,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-759616,Mn12O5F19,-7.4060142142,-2.6561328963,0.0701869566,0.0701869566,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-759060,Mn12O5F19,-7.4101451581,-2.6602638402,0.0660560127,0.0660560127,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-761089,Mn12O5F19,-7.4105317733,-2.6606504555,0.0656693974,0.0656693974,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-781597,Mn12O5F19,-7.4059890778,-2.6561077599000003,0.070212093,0.070212093,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-759137,Mn12O5F19,-7.4063702828,-2.6564889649,0.069830888,0.069830888,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-766056,Mn12O5F19,-7.3827077053,-2.6328263874,0.0934934655,0.0934934655,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-764466,Mn12O5F19,-7.4077347086,-2.6578533907,0.0684664621,0.0684664621,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-760306,Mn12O5F19,-7.4137397689,-2.6638584510000003,0.0624614018,0.0624614018,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-760240,Mn12O5F19,-7.3777494919,-2.6278681741,0.0984516788,0.0984516788,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-849551,Mn12O5F19,-7.4133958975,-2.6635145796,0.0628052732,0.0628052732,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-758718,Mn12O5F19,-7.4098554792,-2.6599741613,0.0663456916,0.0663456916,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-782818,Mn12O5F19,-7.4077870964,-2.6579057785,0.0684140743,0.0684140743,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-850940,Mn12O5F19,-7.4061665458,-2.656285228,0.0700346249,0.0700346249,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-850953,Mn12O5F19,-7.40645561,-2.6565742921,0.0697455607,0.0697455607,GGA+U,P1,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O,36.0,A19B12C5_aP36_1_19a_12a_5a:F-Mn-O +mp-765719,Mn6OF11,-7.334469695,-2.8375225224,0.0340039173,0.0340039173,GGA+U,P1,A11B6C_aP18_1_11a_6a_a:F-Mn-O,18.0,A11B6C_aP18_1_11a_6a_a:F-Mn-O +mp-776963,Mn6OF11,-7.3355690125,-2.8386218399,0.0329045998,0.0329045998,GGA+U,P1,A11B6C_aP36_1_22a_12a_2a:F-Mn-O,36.0,A11B6C_aP36_1_22a_12a_2a:F-Mn-O +mp-849631,Mn6OF11,-7.3337127108,-2.8367655383,0.0347609015,0.0347609015,GGA+U,P1,A11B6C_aP36_1_22a_12a_2a:F-Mn-O,36.0,A11B6C_aP36_1_22a_12a_2a:F-Mn-O +mp-764924,Mn6OF11,-7.3287001692,-2.8317529966,0.0397734431,0.0397734431,GGA+U,P1,A11B6C_aP36_1_22a_12a_2a:F-Mn-O,36.0,A11B6C_aP36_1_22a_12a_2a:F-Mn-O +mp-849640,Mn6OF11,-7.3299330703,-2.8329858977,0.038540542,0.038540542,GGA+U,P1,A11B6C_aP36_1_22a_12a_2a:F-Mn-O,36.0,A11B6C_aP36_1_22a_12a_2a:F-Mn-O +mp-774350,Mn6OF11,-7.3490397778,-2.8520926052,0.0194338345,0.0194338345,GGA+U,P-1,A11B6C_aP36_2_11i_6i_i:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_aP36_2_21i_12i_i:F-Mn-O, expected Mn12OF21 to be Mn6OF11" +mp-777763,Mn6OF11,-7.3288122411,-2.8318650685,0.0396613712,0.0396613712,GGA+U,P-1,A11B6C_aP36_2_11i_6i_i:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_aP36_2_22i_9i_i:F-Mn-O, expected Mn9OF22 to be Mn6OF11" +mp-764816,Mn6OF11,-7.3300488225,-2.8331016499,0.0384247898,0.0384247898,GGA+U,P-1,A11B6C_aP36_2_11i_6i_i:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_aP36_2_22i_11i_i:F-Mn-O, expected Mn11OF22 to be Mn6OF11" +mp-761218,Mn6OF11,-7.3328992344,-2.8359520619,0.0355743778,0.0355743778,GGA+U,P2,A11B6C_mP36_3_11e_abcd4e_e:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_3_22e_abcd7e_e:F-Mn-O, expected Mn9OF22 to be Mn6OF11" +mp-760063,Mn6OF11,-7.3286211339,-2.8316739613,0.0398524784,0.0398524784,GGA+U,P2,A11B6C_mP36_3_11e_abcd4e_e:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_3_22e_abcd5e_e:F-Mn-O, expected Mn7OF22 to be Mn6OF11" +mp-780301,Mn6OF11,-7.2813161939,-2.7843690213,0.0871574184,0.0871574184,GGA+U,P2,A11B6C_mP36_3_11e_abcd4e_e:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_3_21e_abcd8e_e:F-Mn-O, expected Mn10OF21 to be Mn6OF11" +mp-765390,Mn6OF11,-7.3365394586,-2.839592286,0.0319341537,0.0319341537,GGA+U,P2,A11B6C_mP36_3_11e_abcd4e_e:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_3_21e_abcd6e_e:F-Mn-O, expected Mn8OF21 to be Mn6OF11" +mp-759465,Mn6OF11,-7.3281134036,-2.831166231,0.0403602087,0.0403602087,GGA+U,P2_1,A11B6C_mP36_4_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_4_22a_12a_a:F-Mn-O, expected Mn12OF22 to be Mn6OF11" +mp-765221,Mn6OF11,-7.3297644064,-2.8328172338,0.0387092059,0.0387092059,GGA+U,P2_1,A11B6C_mP36_4_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_4_21a_12a_a:F-Mn-O, expected Mn12OF21 to be Mn6OF11" +mp-761045,Mn6OF11,-7.3377965253,-2.8408493527000003,0.030677087,0.030677087,GGA+U,P2_1,A11B6C_mP36_4_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_4_22a_12a_a:F-Mn-O, expected Mn12OF22 to be Mn6OF11" +mp-780525,Mn6OF11,-7.3291412956,-2.832194123,0.0393323167,0.0393323167,GGA+U,P2_1,A11B6C_mP36_4_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_4_22a_12a_a:F-Mn-O, expected Mn12OF22 to be Mn6OF11" +mp-757621,Mn6OF11,-7.3356492778,-2.8387021052,0.0328243345,0.0328243345,GGA+U,C2,A11B6C_mC36_5_a5c_ab2c_a:F-Mn-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_5_a8c_ab3c_a:F-Mn-O, expected Mn8OF17 to be Mn6OF11" +mp-774185,Mn6OF11,-7.3281092847,-2.8311621122,0.0403643276,0.0403643276,GGA+U,Pc,A11B6C_mP36_7_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_7_22a_12a_a:F-Mn-O, expected Mn12OF22 to be Mn6OF11" +mp-774316,Mn6OF11,-7.3299975036,-2.833050331,0.0384761087,0.0384761087,GGA+U,Pc,A11B6C_mP36_7_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_7_21a_12a_a:F-Mn-O, expected Mn12OF21 to be Mn6OF11" +mp-849672,Mn6OF11,-7.3294448975,-2.8324977249,0.0390287148,0.0390287148,GGA+U,Pc,A11B6C_mP36_7_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_7_22a_11a_a:F-Mn-O, expected Mn11OF22 to be Mn6OF11" +mp-777519,Mn6OF11,-7.3322540611,-2.8353068885,0.0362195512,0.0362195512,GGA+U,Pc,A11B6C_mP36_7_11a_6a_a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mP36_7_22a_12a_a:F-Mn-O, expected Mn12OF22 to be Mn6OF11" +mp-755706,Mn6OF11,-7.3347289228,-2.8377817502,0.0337446895,0.0337446895,GGA+U,Cm,A11B6C_mC36_8_5a3b_6a_a:F-Mn-O,18.0,"Invalid WP multiplicities - A11B6C_mC36_8_5a5b_6a_a:F-Mn-O, expected Mn6OF15 to be Mn6OF11" +mp-759669,Mn6OF11,-7.2908233689,-2.7938761963000003,0.0776502434,0.0776502434,GGA+U,Cm,A11B6C_mC72_8_10a6b_6a3b_2a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mC72_8_10a12b_6a6b_2a:F-Mn-O, expected Mn9OF17 to be Mn6OF11" +mp-780473,Mn6OF11,-7.2735,-2.7765528274,0.0949736123,0.0949736123,GGA+U,Cm,A11B6C_mC72_8_10a6b_6a3b_2a:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mC72_8_10a12b_6a6b_2a:F-Mn-O, expected Mn9OF17 to be Mn6OF11" +mp-759385,Mn6OF11,-7.3124798483,-2.8155326758,0.055993764,0.055993764,GGA+U,C2/m,A11B6C_mC72_12_5i3j_g3ij_i:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_mC72_12_10i11j_2g6i3j_i:F-Mn-O, expected Mn14OF32 to be Mn6OF11" +mp-1176448,Mn6OF11,-7.2671065472,-2.7701593747,0.1013670651,0.1013670651,GGA+U,Cmm2,A11B6C_oC72_35_5d6e_3a3b3c_d:F-Mn-O,36.0,"Invalid WP multiplicities - A11B6C_oC72_35_10d12e_3a3b6c_d:F-Mn-O, expected Mn9OF22 to be Mn6OF11" +mp-849465,Mn6OF11,-7.3384561011,-2.8415089285,0.0300175112,0.0300175112,GGA+U,Amm2,A11B6C_oC36_38_5a3e_3a3b_a:F-Mn-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_5a6e_3a3b_a:F-Mn-O, expected Mn6OF17 to be Mn6OF11" +mp-756017,Mn6OF11,-7.3347517044,-2.8378045319,0.0337219078,0.0337219078,GGA+U,Amm2,A11B6C_oC36_38_a2cef_ab2c_a:F-Mn-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a2c2e2f_ab3c_a:F-Mn-O, expected Mn8OF17 to be Mn6OF11" +mp-763941,Mn6OF11,-7.3325836833,-2.8356365108,0.035889929,0.035889929,GGA+U,Amm2,A11B6C_oC36_38_a2d3e_abde_a:F-Mn-O,18.0,"Invalid WP multiplicities - A11B6C_oC36_38_a3d6e_abd2e_a:F-Mn-O, expected Mn8OF19 to be Mn6OF11" +mp-776518,Mn4O7F,-7.9845692567,-1.8857058305,0.0661788924,0.0661788924,GGA+U,P1,AB4C7_aP24_1_2a_8a_14a:F-Mn-O,24.0,AB4C7_aP24_1_2a_8a_14a:F-Mn-O +mp-779466,Mn4O7F,-7.9845424392,-1.885679013,0.0662057099,0.0662057099,GGA+U,P1,AB4C7_aP12_1_a_4a_7a:F-Mn-O,12.0,AB4C7_aP12_1_a_4a_7a:F-Mn-O +mp-755248,Mn4O7F,-7.9877017096,-1.8888382834,0.0630464395,0.0630464395,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_8a_14a:F-Mn-O, expected Mn8O14F to be Mn4O7F" +mp-765733,Mn4O7F,-7.9888115413,-1.889948115,0.0619366078,0.0619366078,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_7a_14a:F-Mn-O, expected Mn7O14F to be Mn4O7F" +mp-777308,Mn4O7F,-7.9843020254,-1.8854385992,0.0664461236,0.0664461236,GGA+U,P2_1,AB4C7_mP24_4_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_4_a_7a_14a:F-Mn-O, expected Mn7O14F to be Mn4O7F" +mp-779051,Mn4O7F,-7.9895884558,-1.8907250296,0.0611596932,0.0611596932,GGA+U,C2,AB4C7_mC48_5_c_2a2b2c_7c:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_5_c_2a2b4c_14c:F-Mn-O, expected Mn6O14F to be Mn4O7F" +mp-849338,Mn4O7F,-7.9861146196,-1.8872511934,0.0646335295,0.0646335295,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_8a_14a:F-Mn-O, expected Mn8O14F to be Mn4O7F" +mp-777813,Mn4O7F,-7.9843169621,-1.8854535359,0.066431187,0.066431187,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_8a_14a:F-Mn-O, expected Mn8O14F to be Mn4O7F" +mp-779274,Mn4O7F,-7.9902724996,-1.8914090734,0.0604756495,0.0604756495,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_7a_12a:F-Mn-O, expected Mn7O12F to be Mn4O7F" +mp-782669,Mn4O7F,-7.9846219379,-1.8857585117,0.0661262111,0.0661262111,GGA+U,Pc,AB4C7_mP24_7_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mP24_7_a_5a_7a:F-Mn-O, expected Mn5O7F to be Mn4O7F" +mp-765744,Mn4O7F,-7.9835862467,-1.8847228205,0.0671619024,0.0671619024,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_7a_14a:F-Mn-O, expected Mn7O14F to be Mn4O7F" +mp-850207,Mn4O7F,-7.9825189471,-1.8836555209,0.068229202,0.068229202,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_8a_13a:F-Mn-O, expected Mn8O13F to be Mn4O7F" +mp-755900,Mn4O7F,-7.9790825825,-1.8802191563,0.0716655666,0.0716655666,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_7a_14a:F-Mn-O, expected Mn7O14F to be Mn4O7F" +mp-755812,Mn4O7F,-7.9863947525,-1.8875313263,0.0643533966,0.0643533966,GGA+U,Cc,AB4C7_mC48_9_a_4a_7a:F-Mn-O,24.0,"Invalid WP multiplicities - AB4C7_mC48_9_a_6a_11a:F-Mn-O, expected Mn6O11F to be Mn4O7F" +mp-756945,Mn3(OF)2,-8.24121187,-2.355157408,0.0483301729,0.0483301729,GGA+U,P2_1/c,A2B3C2_mP14_14_e_ae_e:F-Mn-O,14.0,"Invalid WP multiplicities - A2B3C2_mP14_14_e_2a2e_e:F-Mn-O, expected Mn3OF to be Mn3(OF)2" +mp-861565,Mn7(OF3)3,-7.6597137726,-2.5977409365,0.0975829284,0.0975829284,GGA+U,P1,A9B7C3_aP19_1_9a_7a_3a:F-Mn-O,19.0,A9B7C3_aP19_1_9a_7a_3a:F-Mn-O +mp-1114164,Rb2YTlI6,-3.48754949,-1.5245114395,0.046976675,0.046976675,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-Rb-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:I-Rb-Tl-Y +mp-1110849,K2PrAgF6,-5.213621493,-3.0833081473,0.1360824005,0.1360824005,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Pr +mp-1111459,K3InI6,-2.743848807,-1.2515409399,0.1002859353,0.1002859353,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:I-In-K,10.0,A6BC3_cF40_225_e_a_bc:I-In-K +mp-1112169,KInI3,-2.742072924,-1.0856365786,0.076682345,0.076682345,GGA,Fm-3m,A3BC_cF40_225_e_ab_c:I-In-K,10.0,A3BC_cF40_225_e_ab_c:I-In-K +mp-677262,KInI4,-2.7288611756,-1.1029364961,0.0129097549,0.0129097549,GGA,Iba2,A4BC_oI72_45_6c_ac_ac:I-In-K,36.0,"Invalid WP multiplicities - A4BC_oI72_45_22c_2a3c_2a2c:I-In-K, expected K3(In2I11)2 to be KInI4" +mp-1112023,K2AlInI6,-2.879283029,-1.1234574736,0.1137890413,0.1137890413,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Al-I-In-K +mp-1110930,K3AlI6,-2.895152451,-1.3034553739,0.1173028687,0.1173028687,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-I-K,10.0,AB6C3_cF40_225_a_e_bc:Al-I-K +mp-1199576,U3Ag2(GeO8)2,-7.692398071499999,-2.130119066,0.3795635595,0.3795635595,GGA,Pnma,A2B2C16D3_oP92_62_d_d_8c4d_3c:Ag-Ge-O-U,92.0,A2B2C16D3_oP92_62_d_d_8c4d_3c:Ag-Ge-O-U +mp-1201239,U2Ag(GeO6)2,-7.8625004909,-2.3318124751,0.1576804926,0.1576804926,GGA,Ama2,AB2C12D2_oC68_40_a_2b_8b2c_2b:Ag-Ge-O-U,34.0,AB2C12D2_oC68_40_a_2b_8b2c_2b:Ag-Ge-O-U +mp-1197536,Er(NO3)3,-7.1552095015,-1.4554093488,0.0,-0.1764381598,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Er-N-O,52.0,AB3C9_mP52_14_e_3e_9e:Er-N-O +mp-1213494,ErN7O15,-6.4983264755,-0.5364345645,0.5550644312,0.5550644312,GGA,P3_121,AB7C15_hP69_152_a_2ab2c_a7c:Er-N-O,69.0,"Invalid WP multiplicities - AB7C15_hP69_152_a_2ab4c_a14c:Er-N-O, expected ErN11O29 to be ErN7O15" +mp-559129,Li3Er(NO3)6,-6.7623515631,-1.4282853573,0.0,-0.0090511388,GGA,P2_1/c,AB3C6D18_mP112_14_e_3e_6e_18e:Er-Li-N-O,112.0,"Invalid WP multiplicities - AB3C6D18_mP112_14_e_7e_21e_68e:Er-Li-N-O, expected Li7ErN21O68 to be Li3Er(NO3)6" +mp-1216335,YErFe14B,-8.12840879,-0.1111218115,0.0019475831,0.0019475831,GGA,P4_2/mnm,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Y,68.0,ABC14D_tP68_136_f_f_ce2j2k_g:B-Er-Fe-Y +mp-1211534,KPr(PSe3)2,-4.8646729318,-1.0953350736,0.0,-0.0468505948,GGA,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:K-P-Pr-Se,40.0,AB2CD6_mP40_14_e_2e_e_6e:K-P-Pr-Se +mp-1111313,Na2VAgF6,-5.128480642,-2.5254419955,0.2384484895,0.2384484895,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-V,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-V +mp-1205508,VAg3F6,-4.738877361,-1.8338325725,0.195413713,0.195413713,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Ag-F-V,10.0,A3B6C_cF40_225_ac_e_b:Ag-F-V +mp-1209005,Sr2B5BrO9,-7.9119834771,-3.0385027422,0.0,-0.0293563636,GGA,Pnn2,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Br-O-Sr,68.0,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Br-O-Sr +mp-560233,Sr5B3BrO9,-7.3266155289,-3.1844561228,0.0047030438,0.0047030438,GGA,C222_1,A3BC9D5_oC72_20_ac_b_a4c_a2bc:B-Br-O-Sr,36.0,"Invalid WP multiplicities - A3BC9D5_oC72_20_ac_b_2a12c_2a4b4c:B-Br-O-Sr, expected Sr14B3BrO26 to be Sr5B3BrO9" +mp-1193360,PrB4ClO8,-7.8967352046,-2.6881266912,0.1076638433,0.1076638433,GGA,Cc,A4BC8D_mC56_9_4a_a_8a_a:B-Cl-O-Pr,28.0,A4BC8D_mC56_9_4a_a_8a_a:B-Cl-O-Pr +mp-556450,PrB2ClO4,-8.0655910356,-3.0937184354,0.0,-0.0001966915,GGA,P-1,A2BC4D_aP16_2_2i_i_4i_i:B-Cl-O-Pr,16.0,"Invalid WP multiplicities - A2BC4D_aP16_2_3i_i_7i_i:B-Cl-O-Pr, expected PrB3ClO7 to be PrB2ClO4" +mp-567730,Pr2B3Cl,-5.9000756525,-0.6586550721000001,0.3113039063,0.3113039063,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:B-Cl-Pr,12.0,A3BC2_hP12_194_h_a_f:B-Cl-Pr +mp-568295,Pr8(BCl)7,-5.8686208618,-1.4166779047,0.0,-0.029035819,GGA,P-1,A7B7C8_aP44_2_7i_ad6i_8i:B-Cl-Pr,44.0,"Invalid WP multiplicities - A7B7C8_aP44_2_12i_ad11i_16i:B-Cl-Pr, expected Pr4(BCl)3 to be Pr8(BCl)7" +mp-1215868,Yb2USe3O2,-6.874521505,-2.5305542018,0.0656480149,0.0656480149,GGA,I4mm,A2B3CD2_tI16_107_b_3a_a_2a:O-Se-U-Yb,,A2B3CD2_tI16_107_b_3a_a_2a:O-Se-U-Yb +mp-675015,Yb6U3O17,-8.2913643296,-3.3988417219,0.0,-0.0556958703,GGA,C2,A17B3C6_mC52_5_a8c_bc_3c:O-U-Yb,,"Invalid WP multiplicities - A17B3C6_mC52_5_a16c_b2c_6c:O-U-Yb, expected Yb12U5O33 to be Yb6U3O17" +mp-1101170,YLuO3,-9.13767567,-3.9721781166,0.0760844705,0.0760844705,GGA,Pnma,AB3C_oP20_62_a_cd_c:Lu-O-Y,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Lu-O-Y, expected YLuO7 to be YLuO3" +mp-754226,YLuO3,-9.140512512,-3.9750149586,0.0732476285,0.0732476285,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Lu-O-Y,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_b2f_a:Lu-O-Y, expected YLuO5 to be YLuO3" +mp-1216059,YLu3Cr4O16,-8.522770274199999,-2.7815814436,0.0036417621,0.0036417621,GGA+U,C222,A4B3C16D_oC48_21_ack_bk_4l_d:Cr-Lu-O-Y,24.0,"Invalid WP multiplicities - A4B3C16D_oC48_21_ack_bk_16l_d:Cr-Lu-O-Y, expected YLu3Cr4O64 to be YLu3Cr4O16" +mp-1215972,YLuCr2O8,-8.5939922733,-2.7717400847,0.0102345627,0.0102345627,GGA+U,I-4m2,A2BC8D_tI24_119_ac_b_2i_d:Cr-Lu-O-Y,12.0,"Invalid WP multiplicities - A2BC8D_tI24_119_ac_b_4i_d:Cr-Lu-O-Y, expected YLuCr2O16 to be YLuCr2O8" +mp-1214440,Ba4Li(BN2)3,-6.8134564564,-1.1247444929,0.0225376737,0.0225376737,GGA,Im-3m,A3B4CD6_cI28_229_b_c_a_e:B-Ba-Li-N,14.0,A3B4CD6_cI28_229_b_c_a_e:B-Ba-Li-N +mp-5001,Li3BN2,-5.8089302275,-0.9624051907,0.0,-0.17075017,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:B-Li-N,24.0,AB3C2_mP24_14_e_3e_2e:B-Li-N +mp-8926,Li3BN2,-5.8060982942,-0.9595732574,0.0028319333,-0.1679182367,GGA,P4_2/mnm,AB3C2_tP12_136_a_bd_f:B-Li-N,12.0,"Invalid WP multiplicities - AB3C2_tP12_136_a_b2d_f:B-Li-N, expected Li5BN2 to be Li3BN2" +mp-5914,Li3BN2,-5.8058656808,-0.959340644,0.0030645467,-0.1676856233,GGA,I4_1/amd,AB3C2_tI48_141_e_eg_h:B-Li-N,24.0,AB3C2_tI48_141_e_eg_h:B-Li-N +mp-1232986,LiTb2(PO4)2,-7.8287358331,-3.0919843123,0.2522455692,0.2522455692,GGA,C2,AB8C2D2_mC26_5_a_4c_c_c:Li-O-P-Tb,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_c_c:Li-O-P-Tb, expected LiTb2(PO8)2 to be LiTb2(PO4)2" +mp-1235423,LiTb2(PO4)2,-7.8143288508,-3.07757733,0.2666525515,0.2666525515,GGA,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Li-O-P-Tb,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_7c_ab_ab:Li-O-P-Tb, expected LiTb2(PO7)2 to be LiTb2(PO4)2" +mp-18194,LiTb(PO3)4,-7.7958878436,-2.9316232031,0.0,-0.0034153698,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Tb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_10f_3f_e:Li-O-P-Tb, expected LiTb(P3O10)2 to be LiTb(PO3)4" +mp-1202801,LiPO3,-7.1353935107,-2.7029352093,0.0009896641,-0.0650640592,GGA,Pc,AB3C_mP100_7_10a_30a_10a:Li-O-P,100.0,AB3C_mP100_7_10a_30a_10a:Li-O-P +mp-557189,LiPO3,-7.1338721425,-2.7014138411,0.0025110323,-0.063542691,GGA,P2/c,AB3C_mP100_13_ef4g_15g_5g:Li-O-P,100.0,"Invalid WP multiplicities - AB3C_mP100_13_2e2f12g_57g_17g:Li-O-P, expected Li14P17O57 to be LiPO3" +mp-29195,LiPO3,-7.1363831748,-2.7039248734,0.0,-0.0660537233,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Li-O-P,60.0,AB3C_mP60_14_3e_9e_3e:Li-O-P +mp-1189919,LiPO4,-6.3652316661,-1.8470682964,0.4062024315,0.4062024315,GGA,R3,AB4C_hR54_146_b_4b_b:Li-O-P,18.0,AB4C_hR54_146_b_4b_b:Li-O-P +mp-1020666,Li4P2O7,-6.2162963488,-2.1325180828,0.6120236046,0.6023045342000001,GGA,P-1,A4B7C2_aP26_2_4i_7i_2i:Li-O-P,26.0,A4B7C2_aP26_2_4i_7i_2i:Li-O-P +mp-28450,Li4P2O7,-6.8283199535,-2.7445416874,0.0,-0.0097190704,GGA,P-1,A4B7C2_aP26_2_4i_7i_2i:Li-O-P,26.0,"Invalid WP multiplicities - A4B7C2_aP26_2_4i_9i_2i:Li-O-P, expected Li4P2O9 to be Li4P2O7" +mp-1020027,Li4P2O7,-6.8102562163,-2.7264779503,0.0180637371,0.0083446667,GGA,P2_1/c,A4B7C2_mP52_14_4e_7e_2e:Li-O-P,52.0,A4B7C2_mP52_14_4e_7e_2e:Li-O-P +mp-554577,Li4P2O7,-6.8281919112,-2.7444136451,0.0001280423,-0.0095910281,GGA,P2_1/c,A4B7C2_mP52_14_4e_7e_2e:Li-O-P,52.0,"Invalid WP multiplicities - A4B7C2_mP52_14_16e_24e_4e:Li-O-P, expected Li4PO6 to be Li4P2O7" +mp-13725,Li3PO4,-6.6199869506,-2.7541337067,0.0,-0.1375644584,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Li-O-P,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_ab_3a3b_a:Li-O-P, expected Li3PO9 to be Li3PO4" +mp-2878,Li3PO4,-6.618930015,-2.753076771,0.0010569356,-0.1365075228,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Li-O-P,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_cd_5c3d_c:Li-O-P, expected Li3PO11 to be Li3PO4" +mp-1020029,Li8PO3,-4.404865595,-1.4444696305,0.2769724195,0.2769724195,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:Li-O-P,12.0,A8B3C_cP12_221_g_c_a:Li-O-P +mp-1201358,SrU2Se5,-6.7346035413,-1.5156196835,0.1477400933,0.1477400933,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Se-Sr-U,32.0,A5BC2_oP32_62_3cd_c_d:Se-Sr-U +mp-1217862,SrU3(SeO9)2,-7.625534573699999,-2.142370272,0.3766439758,0.3766439758,GGA,C2,A18B2CD3_mC48_5_2a8c_c_b_ac:O-Se-Sr-U,24.0,"Invalid WP multiplicities - A18B2CD3_mC48_5_2a9c_c_b_ac:O-Se-Sr-U, expected SrU3(SeO10)2 to be SrU3(SeO9)2" +mp-733386,SrU(SeO4)2,-4.9176549696,0.0445313728,2.5450422558,2.529794645,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-Se-Sr-U,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_4i_i_i:O-Se-Sr-U, expected SrU(Se2O7)2 to be SrU(SeO4)2" +mp-556481,SrU(SeO4)2,-7.4626972254,-2.500510883,0.0,-0.0152476108,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-Se-Sr-U,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_4i_i_i:O-Se-Sr-U, expected SrU(Se2O7)2 to be SrU(SeO4)2" +mp-1382260,SrU(SeO4)2,-6.4216004471,-1.4594141047,1.0410967783,1.0258491675,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-Se-Sr-U,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_4i_i_i:O-Se-Sr-U, expected SrU(Se2O7)2 to be SrU(SeO4)2" +mp-1193769,SrU(SeO5)2,-6.7590726286,-1.7991002335,0.454562172,0.454562172,GGA,P-1,A10B2CD_aP28_2_10i_2i_i_i:O-Se-Sr-U,28.0,A10B2CD_aP28_2_10i_2i_i_i:O-Se-Sr-U +mp-1022637,RbYMg6,-1.8898428131,0.2412428726,0.2957639834,0.2957639834,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Rb-Y, expected RbYMg12 to be RbYMg6" +mp-1099267,RbYMg6,-1.8987868275,0.2322988582,0.286819969,0.286819969,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Y,8.0,A6BC_oC16_38_abde_a_b:Mg-Rb-Y +mp-1028060,RbYMg14,-1.7273873169,0.138295551,0.1777213113,0.1777213113,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Y, expected RbYMg18 to be RbYMg14" +mp-1028038,RbYMg14,-1.74882483,0.1168580379,0.1562837982,0.1562837982,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Y, expected RbYMg26 to be RbYMg14" +mp-754146,Rb3YO3,-5.6561667914,-2.1921468679,0.02126361,0.02126361,GGA,C2/m,A3B3C_mC28_12_ij_ghi_i:O-Rb-Y,14.0,"Invalid WP multiplicities - A3B3C_mC28_12_2ij_gh2i_i:O-Rb-Y, expected Rb4YO4 to be Rb3YO3" +mp-756474,Rb3YO3,-5.6676741679,-2.2036542443,0.0097562336,0.0097562336,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:O-Rb-Y,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:O-Rb-Y, expected Rb9YO9 to be Rb3YO3" +mp-1035930,RbYMg14O16,-6.2200230369,-2.8138372473,0.2363572625,0.2363572625,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Rb-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Rb-Y, expected RbYMg18O20 to be RbYMg14O16" +mp-1035948,RbYMg14O16,-6.2377958537,-2.8316100642,0.2185844456,0.2185844456,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Rb-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Rb-Y, expected RbYMg30O32 to be RbYMg14O16" +mp-1032574,RbYMg6O8,-6.1875262656,-2.6486390671,0.3977096531,0.3977096531,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Rb-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Rb-Y, expected RbYMg6O12 to be RbYMg6O8" +mp-1032623,RbYMg6O8,-6.1076090213,-2.5687218228,0.4776268975,0.4776268975,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Rb-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Rb-Y, expected RbYMg6O12 to be RbYMg6O8" +mp-14437,RbYO2,-7.358369635,-3.0232739829,0.0,-0.0829409014,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Rb-Y,4.0,A2BC_hR12_166_c_a_b:O-Rb-Y +mp-1037659,RbYMg30O32,-6.2864360789,-2.9466009938,0.1055164108,0.1055164108,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Rb-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Rb-Y, expected RbYMg90O80 to be RbYMg30O32" +mp-1037624,RbYMg30O32,-6.2960750797,-2.9562399946,0.09587741,0.09587741,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Rb-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Rb-Y, expected RbYMg110O72 to be RbYMg30O32" +mp-975173,RbYO3,-6.725543536,-2.2681292721,0.2563709439,0.2563709439,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Y,5.0,A3BC_cP5_221_c_a_b:O-Rb-Y +mp-1076848,Sm2Ag2O5,-6.5919075994,-2.165715618,0.1783543074,0.1783543074,GGA,Ima2,A2B5C2_oI36_46_ab_b2c_c:Ag-O-Sm,18.0,A2B5C2_oI36_46_ab_b2c_c:Ag-O-Sm +mp-978518,Sm2Ag2O5,-6.3015960867,-1.8754041052,0.4686658201,0.4686658201,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ag-O-Sm,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ag-O-Sm, expected Sm2Ag2O9 to be Sm2Ag2O5" +mp-1208979,SmAg(WO4)2,-8.4564810963,-2.3697384056,0.0,-0.0087904791,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Sm-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Sm-W +mp-753226,SmAgO2,-6.903575525,-2.5424456348,0.00052622,-0.0071310805,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-O-Sm,4.0,AB2C_hR12_166_a_c_b:Ag-O-Sm +mp-754110,SmAgO2,-6.904101745,-2.5429718548,0.0,-0.0076573005,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ag-O-Sm,8.0,AB2C_hP8_194_c_f_a:Ag-O-Sm +mp-771966,Sm2WO6,-9.0413462739,-3.2551868553,0.0105948219,-0.1017938989,GGA+U,P2/c,A6B2C_mP36_13_6g_efg_g:O-Sm-W,36.0,"Invalid WP multiplicities - A6B2C_mP36_13_23g_ef2g_g:O-Sm-W, expected Sm3WO23 to be Sm2WO6" +mp-770766,Sm2WO6,-9.0179031447,-3.2317437261,0.0340379511,-0.0783507697,GGA+U,C2/c,A6B2C_mC72_15_6f_2ef_f:O-Sm-W,36.0,"Invalid WP multiplicities - A6B2C_mC72_15_19f_3e2f_f:O-Sm-W, expected Sm7(WO19)2 to be Sm2WO6" +mp-770406,Sm2WO6,-9.0519410958,-3.2657816772,0.0,-0.1123887208,GGA+U,P2_12_12_1,A6B2C_oP36_19_6a_2a_a:O-Sm-W,36.0,"Invalid WP multiplicities - A6B2C_oP36_19_21a_5a_a:O-Sm-W, expected Sm5WO21 to be Sm2WO6" +mp-1209012,SmWO5,-8.6553502425,-2.596755968,0.1289079179,0.1289079179,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-Sm-W,28.0,A5BC_mP28_14_5e_e_e:O-Sm-W +mp-1101395,Sm2(WO4)3,-9.0697811107,-2.7361441993,0.0242413131,0.0242413131,GGA+U,P2_1/c,A12B2C3_mP68_14_12e_2e_3e:O-Sm-W,68.0,"Invalid WP multiplicities - A12B2C3_mP68_14_45e_5e_9e:O-Sm-W, expected Sm5(WO5)9 to be Sm2(WO4)3" +mp-773126,Sm2(WO4)3,-9.067336245,-2.7336993335,0.0266861788,0.0266861788,GGA+U,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Sm-W,34.0,"Invalid WP multiplicities - A12B2C3_mC68_15_23f_f_e2f:O-Sm-W, expected Sm2W5O46 to be Sm2(WO4)3" +mp-1075933,SmAgO3,-6.175713672,-1.6974720176,0.4236430642,0.4236430642,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-O-Sm,5.0,AB3C_cP5_221_b_c_a:Ag-O-Sm +mp-13352,RbUCuS3,-6.2611101283,-1.4643600695,0.0,-0.13164827,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-Rb-S-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cu-Rb-S-U, expected RbUCuS5 to be RbUCuS3" +mp-1203307,Rb6U2(Cu4S5)3,-5.0469273689,-1.0554058689,0.0,-0.1136850511,GGA,Ia-3d,A12B6C15D2_cI280_230_h_g_ch_a:Cu-Rb-S-U,140.0,A12B6C15D2_cI280_230_h_g_ch_a:Cu-Rb-S-U +mp-15781,KLaS2,-5.74392738,-2.1641009336,0.0,-0.1466148613,GGA,R-3m,ABC2_hR12_166_a_b_c:K-La-S,4.0,ABC2_hR12_166_a_b_c:K-La-S +mp-9781,K3SbS4,-4.1385095687,-1.1377598752,0.0,-0.0215518803,GGA,Cmc2_1,A3B4C_oC32_36_ab_2ab_a:K-S-Sb,16.0,A3B4C_oC32_36_ab_2ab_a:K-S-Sb +mp-9911,K3SbS4,-4.1306926875,-1.1299429939,0.0078168813,-0.0137349991,GGA,I-43m,A3B4C_cI16_217_b_c_a:K-S-Sb,8.0,A3B4C_cI16_217_b_c_a:K-S-Sb +mp-1194266,K3SbS3,-4.0355110525,-1.1970042408,0.0,-0.0980570669,GGA,P2_13,A3B3C_cP28_198_3a_b_a:K-S-Sb,28.0,A3B3C_cP28_198_3a_b_a:K-S-Sb +mp-27749,K2Sb4S7,-4.4894743635,-0.8208626771,0.0008730263,0.0008730263,GGA,C2/c,A2B7C4_mC52_15_f_e3f_2f:K-S-Sb,26.0,"Invalid WP multiplicities - A2B7C4_mC52_15_f_e7f_2f:K-S-Sb, expected K2Sb4S15 to be K2Sb4S7" +mp-15559,KSb5S8,-4.5946775002,-0.6770343515,0.0,-0.0003725191,GGA,Pc,AB8C5_mP56_7_2a_16a_10a:K-S-Sb,56.0,AB8C5_mP56_7_2a_16a_10a:K-S-Sb +mp-1223734,K2La2Sb2S9,-5.2798376357,-1.4412467433,0.0,-0.0069166366,GGA,Pbam,A2B2C9D2_oP30_55_g_g_ag3h_h:K-La-S-Sb,30.0,A2B2C9D2_oP30_55_g_g_ag3h_h:K-La-S-Sb +mp-11703,KSbS2,-4.3686289275,-0.9905539473,0.0,-0.0380417229,GGA,C2/c,AB2C_mC16_15_e_f_e:K-S-Sb,8.0,AB2C_mC16_15_e_f_e:K-S-Sb +mp-19104,LiYb(WO4)2,-8.1667472267,-2.4218887853,0.0,-0.0079811683,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Li-O-W-Yb,,"Invalid WP multiplicities - AB8C2D_mP24_13_e_6g_g_f:Li-O-W-Yb, expected LiYb(WO6)2 to be LiYb(WO4)2" +mp-1180482,LiYb(WO4)2,-8.1495876683,-2.4047292269,0.0171595583,0.00917839,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Li-O-W-Yb,,AB8C2D_mP24_13_e_4g_g_f:Li-O-W-Yb +mp-559043,KLaGeS4,-5.4803851179,-1.5924946358,0.0,-0.0297198263,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Ge-K-La-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_4_a_a_a_8a:Ge-K-La-S, expected KLaGeS8 to be KLaGeS4" +mp-8000,SrSn(BO3)2,-7.707731847,-2.8339337352,0.0,-0.0144490747,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:B-O-Sn-Sr,10.0,A2B6CD_hR30_148_c_f_a_b:B-O-Sn-Sr +mp-13252,SnB4O7,-8.0615313096,-2.6153679832,0.0,-0.0112951531,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:B-O-Sn,24.0,"Invalid WP multiplicities - A4B7C_oP24_31_4b_a3b_a:B-O-Sn, expected SnB8O7 to be SnB4O7" +mp-772724,SnBO3,-7.3803365075,-2.2745305556,0.0905246666,0.0905246666,GGA,Cc,AB3C_mC40_9_2a_6a_2a:B-O-Sn,20.0,AB3C_mC40_9_4a_12a_4a:B-O-Sn +mp-972442,SnBO3,-6.342363178,-1.2365572261,1.1284979961,1.1284979961,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Sn,5.0,AB3C_cP5_221_b_c_a:B-O-Sn +mp-22405,Ni(C2N3)2,-8.2371988995,0.1913254823,0.1985488785,0.1985488785,GGA,Pnnm,A4B6C_oP22_58_h_gh_a:C-N-Ni,22.0,"Invalid WP multiplicities - A4B6C_oP22_58_h_2gh_a:C-N-Ni, expected Ni(CN2)4 to be Ni(C2N3)2" +mp-569179,Ni3Mo3C,-8.4998730925,-0.0561551121,0.0452433875,0.0452433875,GGA,Fd-3m,AB3C3_cF112_227_c_f_de:C-Mo-Ni,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_f_4d4e:C-Mo-Ni, expected Ni12Mo3C to be Ni3Mo3C" +mp-567262,NiCN2,-7.7854424088,0.1350055969,0.1548699365,0.1548699365,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:C-N-Ni,8.0,AB2C_hP8_194_c_f_a:C-N-Ni +mp-1247204,Mo(C2N3)3,-8.6306460403,0.1972350466,0.2668433293,0.2668433293,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Mo-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Mo-N +mp-1246802,Ni4CN4,-7.1274992739,0.1719664942,0.2072808756,0.2072808756,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Ni,36.0,AB4C4_oP36_62_c_4c_4c:C-N-Ni +mp-30052,Ni6Mo6C,-8.4772760827,-0.0939386802,0.0,-0.0035387086,GGA,Fd-3m,AB6C6_cF104_227_a_f_de:C-Mo-Ni,26.0,"Invalid WP multiplicities - AB6C6_cF104_227_a_f_d2e:C-Mo-Ni, expected Ni10Mo6C to be Ni6Mo6C" +mp-1246012,Ni(C2N3)3,-8.1418333081,0.3694531894,0.3744192743,0.3744192743,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Ni,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Ni +mp-1247167,Ni(C4N3)2,-8.2949942213,0.3469011233,0.3521982806,0.3521982806,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Ni,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Ni +mp-1246940,Ni2(CN2)3,-7.6542858391,0.4607359234,0.4751827158,0.4751827158,GGA,R32,A3B6C2_hR33_155_d_f_c:C-N-Ni,11.0,A3B6C2_hR33_155_d_f_c:C-N-Ni +mp-1247308,Ni2(CN2)3,-7.929796235,0.1852255275,0.1996723199,0.1996723199,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Ni,22.0,A3B6C2_hR66_167_e_f_c:C-N-Ni +mp-1246305,Ni(CN)2,-7.6874518585,0.4946396445,0.5105311162,0.5105311162,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:C-N-Ni,20.0,A2B2C_oP20_62_2c_2c_c:C-N-Ni +mp-1221519,Mo2CN,-10.1687995475,-0.3546843881,0.0,-0.0389226003,GGA,Pmm2,AB2C_oP4_25_a_bd_c:C-Mo-N,4.0,AB2C_oP4_25_a_bd_c:C-Mo-N +mp-21536,Ni2Mo4C,-9.26436413,-0.0970013739,0.0,-0.0066920017,GGA,Fd-3m,AB4C2_cF112_227_c_df_e:C-Mo-Ni,28.0,"Invalid WP multiplicities - AB4C2_cF112_227_c_2d2f_e:C-Mo-Ni, expected Ni2Mo8C to be Ni2Mo4C" +mp-1246358,Mo2(CN2)3,-8.8930897245,0.1429344798,0.3454313023,0.3454313023,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Mo-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Mo-N +mp-1245672,Mo2(CN2)3,-9.1182944395,-0.0822702352,0.1202265873,0.1202265873,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Mo-N,22.0,A3B2C6_hR66_167_e_c_f:C-Mo-N +mp-1220098,Ni4Mo6CN,-9.0094190683,-0.1961184185,0.0133426556,0.0133426556,GGA,C222_1,AB6CD4_oC48_20_a_ab2c_b_2c:C-Mo-N-Ni,24.0,"Invalid WP multiplicities - AB6CD4_oC48_20_a_2ab6c_b_6c:C-Mo-N-Ni, expected Ni12Mo15CN to be Ni4Mo6CN" +mp-1181405,K2SnO6,-5.09561311,-1.1055573304,0.2624940358,0.2624940358,GGA,P-1,A2B6C_aP9_2_i_3i_a:K-O-Sn,9.0,"Invalid WP multiplicities - A2B6C_aP9_2_i_6i_a:K-O-Sn, expected K2SnO12 to be K2SnO6" +mp-1079820,K2SnO6,-4.85215982,-0.8621040404,0.5059473258,0.5059473258,GGA,R-3,A2B6C_hR27_148_c_f_a:K-O-Sn,9.0,A2B6C_hR27_148_c_f_a:K-O-Sn +mp-1226136,K8Sn8Se20O9,-4.5191011731,-1.0658079649,0.231609304,0.231609304,GGA,R3,A8B9C20D8_hR135_146_2a2b_3b_2a6b_2a2b:K-O-Se-Sn,45.0,A8B9C20D8_hR135_146_2a2b_3b_2a6b_2a2b:K-O-Se-Sn +mp-7502,K2Sn2O3,-5.3236349857,-1.7407767375,0.0082225471,-0.0513388666,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:K-O-Sn,7.0,A2B3C2_hR21_166_ab_d_c:K-O-Sn +mp-8624,K2Sn2O3,-5.3318575329,-1.7489992846,0.0,-0.0595614137,GGA,I2_13,A2B3C2_cI28_199_a_b_a:K-O-Sn,14.0,A2B3C2_cI28_199_a_b_a:K-O-Sn +mp-14988,K4SnO3,-4.503878873,-1.5924746509,0.0,-0.0271201381,GGA,Pbca,A4B3C_oP64_61_4c_3c_c:K-O-Sn,64.0,A4B3C_oP64_61_4c_3c_c:K-O-Sn +mp-17730,K2SnO3,-5.4731667863,-1.9614274725,0.0,-0.0252078515,GGA,Pnma,A2B3C_oP24_62_d_cd_c:K-O-Sn,24.0,A2B3C_oP24_62_d_cd_c:K-O-Sn +mp-1024073,K2Sn3O7,-6.1631114802,-2.0900836104,0.0,-0.0552047737,GGA,Pnma,A2B7C3_oP48_62_2c_7c_3c:K-O-Sn,48.0,A2B7C3_oP48_62_2c_7c_3c:K-O-Sn +mp-752538,KSnO2,-5.6517896087,-1.8984525526,0.0182836394,0.0182836394,GGA,P-1,AB2C_aP16_2_2i_4i_2i:K-O-Sn,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_8i_3i:K-O-Sn, expected K3Sn3O8 to be KSnO2" +mp-7258,K4SnO4,-4.9711905711,-1.833643628,0.0,-0.1099310958,GGA,P-1,A4B4C_aP18_2_4i_4i_i:K-O-Sn,18.0,A4B4C_aP18_2_4i_4i_i:K-O-Sn +mp-752692,K2SnO2,-4.9176513885,-1.6929019542,0.0,-0.0226730465,GGA,P-1,A2B2C_aP20_2_4i_4i_2i:K-O-Sn,20.0,"Invalid WP multiplicities - A2B2C_aP20_2_7i_7i_3i:K-O-Sn, expected K7Sn3O7 to be K2SnO2" +mp-1215172,ZrVCuS4,-6.7473053621,-1.2792178139,0.086969617,0.086969617,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cu-S-V-Zr,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cu-S-V-Zr, expected ZrVCuS8 to be ZrVCuS4" +mp-1215203,ZrVCu,-7.2810146625,-0.0374102058,0.062549957,0.062549957,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-V-Zr, expected Zr3(VCu)2 to be ZrVCu" +mp-9483,Zr9V4S,-8.6253163236,-0.2395034795,0.0359289442,0.0359289442,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:S-V-Zr,28.0,"Invalid WP multiplicities - AB4C9_hP28_194_c_ah_h2k:S-V-Zr, expected Zr15V4S to be Zr9V4S" +mp-1227785,CeNb3O9,-9.4331874808,-3.2210949672,0.0208845898,0.0208845898,GGA,P-1,AB3C9_aP52_2_2i_6i_18i:Ce-Nb-O,52.0,"Invalid WP multiplicities - AB3C9_aP52_2_4i_12i_33i:Ce-Nb-O, expected Ce4Nb12O33 to be CeNb3O9" +mp-1229216,CeNb3O9,-9.4179392712,-3.2058467576,0.0361327995,0.0361327995,GGA,C2/m,AB3C9_mC104_12_abi_3j_ef6i5j:Ce-Nb-O,52.0,"Invalid WP multiplicities - AB3C9_mC104_12_abi_12j_2e2f12i17j:Ce-Nb-O, expected CeNb12O25 to be CeNb3O9" +mp-683997,Ce3NbS3O4,-8.4345164064,-2.9711821381,0.0667991784,0.0667991784,GGA,Pbam,A3BC4D3_oP44_55_gi_h_ghi_egh:Ce-Nb-O-S,44.0,"Invalid WP multiplicities - A3BC4D3_oP44_55_3g3i_h_3g3h5i_2eg2h:Ce-Nb-O-S, expected Ce9NbS5O16 to be Ce3NbS3O4" +mp-7550,CeNbO4,-9.440237685,-3.4700461783,0.0029109775,-0.0451650257,GGA,C2/c,ABC4_mC24_15_e_e_2f:Ce-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Ce-Nb-O +mp-557564,CeNbO4,-9.4431486625,-3.4729571558,0.0,-0.0480760032,GGA,I4_1/a,ABC4_tI24_88_a_b_f:Ce-Nb-O,12.0,ABC4_tI24_88_a_b_f:Ce-Nb-O +mp-1199771,Ce2Nb2S7O30,-7.4217361944,-2.3138191506,0.0079347105,0.0079347105,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Ce-Nb-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Ce-Nb-O-S +mp-1213786,CeNbO2,-8.9396759281,-2.4577330238,0.5316168747,0.5316168747,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Ce-Nb-O,16.0,ABC2_tI32_141_c_d_h:Ce-Nb-O +mp-1199812,Sm2Ni22C3,-6.204559391,-0.1198862167,0.4620843424,0.4620843424,GGA,Cmce,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Sm,108.0,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Sm +mp-6916,Sm(BC)2,-7.734923801,-0.4279836687,0.0,-0.0721923775,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Sm,10.0,A2B2C_tP10_127_g_g_b:B-C-Sm +mp-1079430,Sm(BC)2,-7.59825357,-0.2913134377,0.136670231,0.0644778535,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Sm,10.0,A2B2C_tP10_131_j_l_f:B-C-Sm +mp-9220,SmNi2B2C,-6.9583873683,-0.4806692801,0.4823865541,0.4823865541,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Sm,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Sm +mp-1208749,SmBC,-7.2786145125,-0.4030667131,0.0,-0.0294710908,GGA,P2_12_12_1,ABC_oP60_19_5a_5a_5a:B-C-Sm,60.0,ABC_oP60_19_5a_5a_5a:B-C-Sm +mp-999144,SmNiC2,-7.52887816,-0.28986471,0.3631373887,0.3631373887,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Sm,4.0,A2BC_oC8_38_d_a_b:C-Ni-Sm +mp-557030,NaW2(Br3O)2,-5.5883651236,-1.365607564,0.0751416439,0.0751416439,GGA+U,C2/m,A6BC2D2_mC22_12_3i_a_i_i:Br-Na-O-W,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_12_6i_a_i_i:Br-Na-O-W, expected NaW2(Br6O)2 to be NaW2(Br3O)2" +mp-548402,NaW2(Br3O)2,-5.4897834545,-1.2670258949,0.173723313,0.173723313,GGA+U,Immm,A6BC2D2_oI22_71_gn_a_e_f:Br-Na-O-W,11.0,"Invalid WP multiplicities - A6BC2D2_oI22_71_2g2n_a_e_f:Br-Na-O-W, expected NaW2(Br6O)2 to be NaW2(Br3O)2" +mp-1046203,Mg2Ta2WO8,-8.9456197269,-2.8342539362,0.1888378622,0.1888378622,GGA+U,P1,A2B8C2D_aP26_1_4a_16a_4a_2a:Mg-O-Ta-W,26.0,A2B8C2D_aP26_1_4a_16a_4a_2a:Mg-O-Ta-W +mp-1372745,Mg2TaWO6,-8.511546514,-2.7418864912,0.1543069604,0.1543069604,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Ta-W,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Mg-O-Ta-W, expected Mg3TaWO18 to be Mg2TaWO6" +mp-1330338,Mg2TaWO6,-8.526747209,-2.7570871862,0.1391062654,0.1391062654,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-Ta-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-Ta-W +mp-1047112,Mg2TaWO6,-8.569157336,-2.7994973133,0.0966961384,0.0966961384,GGA+U,R3,A2B6CD_hR30_146_2a_2b_a_a:Mg-O-Ta-W,10.0,"Invalid WP multiplicities - A2B6CD_hR30_146_2a_3b_a_a:Mg-O-Ta-W, expected Mg2TaWO9 to be Mg2TaWO6" +mp-1079685,LaNiPO,-6.9143883412000005,-1.6453545905,0.4687152109,0.4687152109,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:La-Ni-O-P,8.0,ABCD_tP8_129_c_a_b_c:La-Ni-O-P +mp-585392,Ni3P3O11,-7.290630641,-2.1145192655,0.0473894539,0.0473894539,GGA+U,P2_1/c,A3B11C3_mP68_14_3e_11e_3e:Ni-O-P,68.0,"Invalid WP multiplicities - A3B11C3_mP68_14_11e_43e_8e:Ni-O-P, expected Ni11P8O43 to be Ni3P3O11" +mp-26364,Ni(PO3)4,-7.2364159306,-2.130909387,0.1534908804,0.1534908804,GGA+U,Cc,AB12C4_mC68_9_a_12a_4a:Ni-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_9_a_22a_7a:Ni-O-P, expected NiP7O22 to be Ni(PO3)4" +mp-26686,Ni(PO3)4,-7.2927693712,-2.1872628275,0.0971374398,0.0971374398,GGA+U,C2/m,AB12C4_mC68_12_e_gi5j_2j:Ni-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_e_h2i12j_4j:Ni-O-P, expected NiP8O27 to be Ni(PO3)4" +mp-32343,Ni(PO3)4,-7.2919183494,-2.1864118058,0.0979884615,0.0979884615,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Ni-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_19f_4f:Ni-O-P, expected Ni(P4O19)2 to be Ni(PO3)4" +mp-695808,Ni(PO3)4,-7.2808677079,-2.1753611643,0.109039103,0.109039103,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Ni-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_a_20f_5f:Ni-O-P, expected Ni(PO4)10 to be Ni(PO3)4" +mp-540079,Ni(PO3)4,-7.2804789353,-2.1749723917,0.1094278757,0.1094278757,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Ni-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_38d_8d:Ni-O-P, expected Ni(P4O19)4 to be Ni(PO3)4" +mp-504269,Ni(PO3)4,-7.2817332476,-2.176226704,0.1081735633,0.1081735633,GGA+U,Pnma,AB12C4_oP68_62_c_4c4d_2cd:Ni-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_62_c_16c13d_5c4d:Ni-O-P, expected NiP13O42 to be Ni(PO3)4" +mp-19135,Ni(PO3)2,-7.5247477747,-2.3817617791,0.0,-0.0359678273,GGA+U,C2/c,AB6C2_mC72_15_ce_6f_2f:Ni-O-P,36.0,AB6C2_mC72_15_ce_6f_2f:Ni-O-P +mp-778386,Ni7(P2O7)4,-7.3456842424,-2.176506086,0.0314183901,0.0314183901,GGA+U,C222_1,A7B28C8_oC172_20_2ab2c_14c_4c:Ni-O-P,86.0,"Invalid WP multiplicities - A7B28C8_oC172_20_4ab4c_27c_7c:Ni-O-P, expected Ni13(P7O27)2 to be Ni7(P2O7)4" +mp-704988,Ni2(PO3)5,-7.3983806382,-2.2698753399,0.0742694914,0.0742694914,GGA+U,P2/c,A2B15C5_mP44_13_g_e7g_f2g:Ni-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_13_g_2e27g_2f5g:Ni-O-P, expected Ni(P3O14)2 to be Ni2(PO3)5" +mp-818273,NiP5O14,-7.430659126,-2.3256445675,0.0430551864,0.0430551864,GGA+U,P2_1/c,AB14C5_mP80_14_e_14e_5e:Ni-O-P,80.0,AB14C5_mP80_14_e_14e_5e:Ni-O-P +mp-771911,Ni3(PO4)2,-7.2850506498,-2.0742410542,0.0381733033,-0.0020045121,GGA+U,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:Ni-O-P,52.0,"Invalid WP multiplicities - A3B8C2_mP52_14_5e_29e_3e:Ni-O-P, expected Ni5P3O29 to be Ni3(PO4)2" +mp-22697,Ni3(PO4)2,-7.3232239531,-2.1124143574,0.0,-0.0401778154,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Ni-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_ae_6e_e:Ni-O-P, expected Ni3(PO6)2 to be Ni3(PO4)2" +mp-764814,Ni3(PO4)2,-7.210693431,-1.9998838354,0.1125305221,0.0723527067,GGA+U,P2_1/c,A3B8C2_mP156_14_9e_24e_6e:Ni-O-P,156.0,"Invalid WP multiplicities - A3B8C2_mP156_14_35e_95e_21e:Ni-O-P, expected Ni35P21O95 to be Ni3(PO4)2" +mp-769619,Ni2PO5,-7.0403159781,-1.8269385503,0.0421551914,0.0421551914,GGA+U,Pnma,A2B5C_oP32_62_ac_3cd_c:Ni-O-P,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_2a2c_9c4d_c:Ni-O-P, expected Ni4PO17 to be Ni2PO5" +mp-755058,Ni2PO5,-7.0553491013,-1.8419716734,0.0271220683,0.0271220683,GGA+U,I4_1/amd,A2B5C_tI32_141_c_ah_b:Ni-O-P,16.0,"Invalid WP multiplicities - A2B5C_tI32_141_c_2a3h_b:Ni-O-P, expected Ni2PO14 to be Ni2PO5" +mp-1048029,Ni3P3O13,-6.8929508066,-1.7409891852,0.1933501953,0.1933501953,GGA+U,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Ni-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Ni-O-P, expected Ni5P3O34 to be Ni3P3O13" +mp-777879,Ni4(PO4)3,-7.2346546361,-2.0388273321,0.0512886007,0.0512886007,GGA+U,Pnnm,A4B12C3_oP76_58_2gh_6g3h_3g:Ni-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_58_5g2h_22g10h_11g:Ni-O-P, expected Ni9P11O42 to be Ni4(PO4)3" +mp-26512,Ni4(PO4)3,-7.2449691347,-2.0491418308,0.040974102,0.040974102,GGA+U,I-42d,A4B12C3_tI76_122_cd_3e_ad:Ni-O-P,38.0,"Invalid WP multiplicities - A4B12C3_tI76_122_3c3d_20e_2a3d:Ni-O-P, expected Ni3(PO10)2 to be Ni4(PO4)3" +mp-705637,NiPO4,-6.7051846703,-1.5418189984,0.499983681,0.499983681,GGA+U,Cc,AB4C_mC192_9_8a_32a_8a:Ni-O-P,96.0,"Invalid WP multiplicities - AB4C_mC192_9_15a_63a_14a:Ni-O-P, expected Ni15(P2O9)7 to be NiPO4" +mp-540256,NiPO4,-7.0526943633,-1.8893286914,0.152473988,0.152473988,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Ni-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Ni-O-P, expected NiPO13 to be NiPO4" +mp-1201370,NiPO4,-6.4234949740000005,-1.260129302,0.7816733774,0.7816733774,GGA+U,Pca2_1,AB4C_oP48_29_2a_8a_2a:Ni-O-P,48.0,AB4C_oP48_29_2a_8a_2a:Ni-O-P +mp-26388,NiPO4,-7.0649670646,-1.9016013926,0.1402012868,0.1402012868,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Ni-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_12a_a:Ni-O-P, expected NiPO12 to be NiPO4" +mp-504165,NiPO4,-7.0980509933,-1.9346853214,0.107117358,0.107117358,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Ni-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_7c2d_c:Ni-O-P, expected NiPO11 to be NiPO4" +mp-25304,NiPO4,-7.0843245767,-1.9209589047,0.1208437747,0.1208437747,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Ni-O-P,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_2f2g_c:Ni-O-P, expected NiPO8 to be NiPO4" +mp-504281,NiPO4,-7.0482950206,-1.8849293486,0.1568733308,0.1568733308,GGA+U,R3,AB4C_hR108_146_2b_8b_2b:Ni-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_146_6b_21b_5b:Ni-O-P, expected Ni6P5O21 to be NiPO4" +mp-25968,NiPO4,-7.0187912908,-1.8554256189,0.1863770605,0.1863770605,GGA+U,P31c,AB4C_hP36_159_c_a2b3c_a2b:Ni-O-P,36.0,"Invalid WP multiplicities - AB4C_hP36_159_c_2a4b15c_2a4b:Ni-O-P, expected NiP2O17 to be NiPO4" +mp-1101533,Ni3(PO4)4,-6.9307266401,-1.794177099,0.2031049951,0.2031049951,GGA+U,P1,A3B16C4_aP69_1_9a_48a_12a:Ni-O-P,69.0,A3B16C4_aP69_1_9a_48a_12a:Ni-O-P +mp-26264,Ni3(PO4)4,-6.9324002585,-1.7958507173,0.2014313768,0.2014313768,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Ni-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_4a_29a_7a:Ni-O-P, expected Ni4P7O29 to be Ni3(PO4)4" +mp-697806,Ni3(PO4)4,-6.8683112252,-1.7317616841,0.2655204101,0.2655204101,GGA+U,C2/c,A3B16C4_mC92_15_cf_8f_2f:Ni-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mC92_15_af_29f_6f:Ni-O-P, expected Ni3(P6O29)2 to be Ni3(PO4)4" +mp-851093,Ni3(P2O7)2,-7.2521232393,-2.0974917143,0.0900077221,0.0900077221,GGA+U,P-1,A3B14C4_aP42_2_bd2i_14i_4i:Ni-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_bd4i_27i_7i:Ni-O-P, expected Ni5P7O27 to be Ni3(P2O7)2" +mp-1101547,Ni3(P2O7)2,-7.2638274355,-2.1091959105,0.0783035259,0.0783035259,GGA+U,P-1,A3B14C4_aP42_2_3i_14i_4i:Ni-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_5i_27i_6i:Ni-O-P, expected Ni5(P2O9)3 to be Ni3(P2O7)2" +mp-25992,Ni3(P2O7)2,-7.281795930999999,-2.127164406,0.0603350304,0.0603350304,GGA+U,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Ni-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_2a2e_27e_3e:Ni-O-P, expected NiPO9 to be Ni3(P2O7)2" +mp-776065,Ni3(P2O7)2,-7.2724369339,-2.117805409,0.0696940274,0.0696940274,GGA+U,Pnma,A3B14C4_oP84_62_cd_2c6d_2d:Ni-O-P,84.0,"Invalid WP multiplicities - A3B14C4_oP84_62_3c2d_7c22d_5d:Ni-O-P, expected Ni7P10O51 to be Ni3(P2O7)2" +mp-753788,Ni(PO3)3,-7.3578307246,-2.2393505245,0.0787518046,0.0787518046,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Ni-O-P,26.0,"Invalid WP multiplicities - AB9C3_aP26_2_i_17i_5i:Ni-O-P, expected NiP5O17 to be Ni(PO3)3" +mp-504338,Ni(PO3)3,-7.3632424838,-2.2447622837,0.0733400453,0.0733400453,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Ni-O-P,26.0,"Invalid WP multiplicities - AB9C3_aP26_2_i_17i_5i:Ni-O-P, expected NiP5O17 to be Ni(PO3)3" +mp-1101496,Ni(PO3)3,-7.361184419,-2.2427042189,0.0753981101,0.0753981101,GGA+U,P-1,AB9C3_aP52_2_2i_18i_6i:Ni-O-P,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_4i_36i_11i:Ni-O-P, expected Ni4P11O36 to be Ni(PO3)3" +mp-774972,Ni(PO3)3,-7.3570656017,-2.2385854016,0.0795169275,0.0795169275,GGA+U,Cc,AB9C3_mC156_9_3a_27a_9a:Ni-O-P,78.0,"Invalid WP multiplicities - AB9C3_mC156_9_5a_53a_16a:Ni-O-P, expected Ni5P16O53 to be Ni(PO3)3" +mp-766524,Ni(PO3)3,-7.3664045575,-2.2479243574,0.0701779717,0.0701779717,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Ni-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_9a:Ni-O-P, expected Ni(P3O11)3 to be Ni(PO3)3" +mp-26002,Ni(PO3)3,-7.3610960542,-2.2426158541,0.075486475,0.075486475,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Ni-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_32a_8a:Ni-O-P, expected Ni(PO4)8 to be Ni(PO3)3" +mp-849741,Ni(PO3)3,-7.3777702564,-2.2592900563,0.0588122727,0.0588122727,GGA+U,Pcca,AB9C3_oP104_54_ae_cd8f_3f:Ni-O-P,104.0,"Invalid WP multiplicities - AB9C3_oP104_54_2a2e_2c2d32f_9f:Ni-O-P, expected Ni2P9O34 to be Ni(PO3)3" +mp-759840,Ni(PO3)3,-7.3917189994,-2.2732387993,0.0448635298,0.0448635298,GGA+U,Pccn,AB9C3_oP52_56_a_c4e_de:Ni-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_56_a_2c15e_3d2e:Ni-O-P, expected NiP7O32 to be Ni(PO3)3" +mp-504150,Ni(PO3)3,-7.3890921215,-2.2706119214,0.0474904076,0.0474904076,GGA+U,Pbcm,AB9C3_oP52_57_a_d4e_ce:Ni-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_57_a_2d7e_2ce:Ni-O-P, expected Ni(PO4)4 to be Ni(PO3)3" +mp-26842,Ni(PO3)3,-7.3890380031,-2.270557803,0.0475445261,0.0475445261,GGA+U,R3,AB9C3_hR39_146_a_3b_b:Ni-O-P,13.0,"Invalid WP multiplicities - AB9C3_hR39_146_a_7b_b:Ni-O-P, expected Ni(PO7)3 to be Ni(PO3)3" +mp-32393,Ni2P5O16,-7.2773734735,-2.1567732442,0.0854522467,0.0854522467,GGA+U,P2/c,A2B16C5_mP46_13_g_8g_e2g:Ni-O-P,46.0,"Invalid WP multiplicities - A2B16C5_mP46_13_g_31g_e4g:Ni-O-P, expected Ni2P9O62 to be Ni2P5O16" +mp-689834,NiP2O7,-7.1043213728,-1.9809651055,0.1626204956,0.1626204956,GGA+U,P1,AB7C2_aP40_1_4a_28a_8a:Ni-O-P,40.0,AB7C2_aP40_1_4a_28a_8a:Ni-O-P +mp-690014,NiP2O7,-6.9637664185,-1.8404101513,0.3031754499,0.3031754499,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Ni-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_14i_4i:Ni-O-P, expected Ni(P2O7)2 to be NiP2O7" +mp-26450,NiP2O7,-6.984859367,-1.8615030998,0.2820825014,0.2820825014,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Ni-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Ni-O-P, expected NiP2O13 to be NiP2O7" +mp-585376,NiP2O7,-7.0352217697,-1.9118655025,0.2317200986,0.2317200986,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Ni-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_3i_27i_7i:Ni-O-P, expected Ni3P7O27 to be NiP2O7" +mp-26008,NiP2O7,-6.9950618595,-1.8717055923,0.2718800089,0.2718800089,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Ni-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_13a_2a:Ni-O-P, expected NiP2O13 to be NiP2O7" +mp-26232,NiP2O7,-7.087297219,-1.9639409518,0.1796446494,0.1796446494,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Ni-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b5c_c:Ni-O-P, expected NiP2O11 to be NiP2O7" +mp-32363,NiP2O7,-7.110078554,-1.9867222868,0.1568633144,0.1568633144,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Ni-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_24e_4e:Ni-O-P, expected Ni(PO6)4 to be NiP2O7" +mp-26786,NiP2O7,-7.114366989,-1.9910107218,0.1525748794,0.1525748794,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Ni-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_6e:Ni-O-P, expected Ni(P2O9)3 to be NiP2O7" +mp-32334,NiP2O7,-7.0996604643,-1.976304197,0.1672814041,0.1672814041,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Ni-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_7e:Ni-O-P, expected NiP7O27 to be NiP2O7" +mp-26212,NiP2O7,-7.1222822298,-1.9989259625,0.1446596386,0.1446596386,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Ni-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_28f_4f:Ni-O-P, expected Ni(PO7)4 to be NiP2O7" +mp-1044234,Ni2P2O9,-6.8059388417,-1.6592406283,0.2255003065,0.2255003065,GGA+U,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Ni-O-P,52.0,A2B9C2_oP52_62_ac_5c2d_2c:Ni-O-P +mp-18819,Ni2P2O7,-7.4017035414,-2.2186399639,0.0087811409,0.0039619751,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Ni-O-P,22.0,A2B7C2_mC22_12_h_aij_i:Ni-O-P +mp-734378,Ni2P2O7,-7.4104846823,-2.2274211048,0.0,-0.0048191658,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Ni-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:Ni-O-P +mp-554705,Ni2P2O7,-7.4076549659,-2.2245913884,0.0028297164,-0.0019894494,GGA+U,P2_1/c,A2B7C2_mP22_14_e_a3e_e:Ni-O-P,22.0,A2B7C2_mP22_14_e_a3e_e:Ni-O-P +mp-769618,Ni4P2O9,-7.1586778707,-1.927521195,0.0657341077,0.0657341077,GGA+U,P-1,A4B9C2_aP30_2_4i_9i_2i:Ni-O-P,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_7i_17i_3i:Ni-O-P, expected Ni7P3O17 to be Ni4P2O9" +mp-771899,Ni4P2O9,-7.1876287593,-1.9564720837,0.036783219,0.036783219,GGA+U,P2_1/c,A4B9C2_mP60_14_4e_9e_2e:Ni-O-P,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_11e_33e_7e:Ni-O-P, expected Ni11P7O33 to be Ni4P2O9" +mp-774985,Ni4P2O9,-7.185239649,-1.9540829734,0.0391723293,0.0391723293,GGA+U,Pnma,A4B9C2_oP60_62_2cd_5c2d_2c:Ni-O-P,60.0,"Invalid WP multiplicities - A4B9C2_oP60_62_7c2d_18c7d_5c:Ni-O-P, expected Ni11P5O32 to be Ni4P2O9" +mp-1210896,La3Ni4(P2O)2,-6.4207414638,-1.0764987343,0.6065703067,0.6065703067,GGA+U,I4/mmm,A3B4C2D4_tI26_139_ae_g_d_2e:La-Ni-O-P,13.0,A3B4C2D4_tI26_139_ae_g_d_2e:La-Ni-O-P +mp-1211574,La2NiP2O,-5.2458740683,-0.0082999659,1.9262601748,1.9262601748,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:La-Ni-O-P,6.0,A2BCD2_tP6_123_g_a_b_g:La-Ni-O-P +mp-771985,Ni7(PO4)6,-7.1907744862,-2.0107393276,0.0558728603,0.0558728603,GGA+U,P-1,A7B24C6_aP37_2_a3i_12i_3i:Ni-O-P,37.0,"Invalid WP multiplicities - A7B24C6_aP37_2_a5i_23i_5i:Ni-O-P, expected Ni11(P5O23)2 to be Ni7(PO4)6" +mp-1360010,Ni7(PO4)6,-7.0306325543,-1.8505973957,0.2160147922,0.2160147922,GGA+U,Cm,A7B24C6_mC74_8_a3b_4a10b_2a2b:Ni-O-P,37.0,"Invalid WP multiplicities - A7B24C6_mC74_12_ag3j_4i18j_2i2j:Ni-O-P, expected Ni15(P3O20)4 to be Ni7(PO4)6" +mp-704235,Ni7(PO4)6,-7.1003264651,-1.9202913065,0.1463208814,0.1463208814,GGA+U,C2/m,A7B24C6_mC74_12_agj_2i5j_ij:Ni-O-P,37.0,"Invalid WP multiplicities - A7B24C6_mC74_12_ag3j_4i18j_2i2j:Ni-O-P, expected Ni15(P3O20)4 to be Ni7(PO4)6" +mp-32385,Ni7(PO4)6,-7.1876183111,-2.0075831524,0.0590290355,0.0590290355,GGA+U,C2/m,A7B24C6_mC74_12_agj_2i5j_ij:Ni-O-P,37.0,"Invalid WP multiplicities - A7B24C6_mC74_12_a2g3j_4i19j_i2j:Ni-O-P, expected Ni17(P5O42)2 to be Ni7(PO4)6" +mp-25269,Ni2P3O10,-7.3425027737,-2.1913649075,0.0544132317,0.0544132317,GGA+U,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Ni-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_7e7f_4e:Ni-O-P, expected Ni2P4O21 to be Ni2P3O10" +mp-705436,Ni5(P2O7)4,-7.131410643,-1.9920353414,0.174042712,0.174042712,GGA+U,P-1,A5B28C8_aP82_2_5i_28i_8i:Ni-O-P,82.0,"Invalid WP multiplicities - A5B28C8_aP82_2_8i_56i_14i:Ni-O-P, expected Ni4(PO4)7 to be Ni5(P2O7)4" +mp-1101501,Ni3P4O15,-7.0544469055,-1.9092673266,0.1788003173,0.1788003173,GGA+U,Pna2_1,A3B15C4_oP88_33_3a_15a_4a:Ni-O-P,88.0,"Invalid WP multiplicities - A3B15C4_oP88_33_9a_56a_10a:Ni-O-P, expected Ni9(P5O28)2 to be Ni3P4O15" +mp-26384,Ni4P7O24,-7.2291700307,-2.093907364,0.0934750392,0.0934750392,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Ni-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_7i_47i_13i:Ni-O-P, expected Ni7P13O47 to be Ni4P7O24" +mp-26892,Ni2P3O11,-7.0500165575,-1.9116567635,0.193760242,0.193760242,GGA+U,C2/c,A2B11C3_mC64_15_f_e5f_ef:Ni-O-P,32.0,"Invalid WP multiplicities - A2B11C3_mC64_15_f_e20f_ef:Ni-O-P, expected Ni2P3O41 to be Ni2P3O11" +mp-1209842,NiPO5,-6.4897163114,-1.357304491,0.3928120913,0.3928120913,GGA+U,P2_1,AB5C_mP14_4_a_5a_a:Ni-O-P,14.0,AB5C_mP14_4_a_5a_a:Ni-O-P +mp-935922,Ni5(PO4)4,-4.7740573264,0.4139791859,2.4924999379,2.4924999379,GGA+U,P-1,A5B16C4_aP25_2_a2i_8i_2i:Ni-O-P,25.0,"Invalid WP multiplicities - A5B16C4_aP25_2_a3i_14i_3i:Ni-O-P, expected Ni7(P3O14)2 to be Ni5(PO4)4" +mp-26922,Ni5(PO4)4,-7.2196831302,-2.0316466179,0.0468741341,0.0468741341,GGA+U,P-1,A5B16C4_aP25_2_a2i_8i_2i:Ni-O-P,50.0,A5B16C4_aP25_2_a2i_8i_2i:Ni-O-P +mp-504372,Ni6P7O24,-7.3814145646,-2.2112938431,0.0235693027,0.0235693027,GGA+U,P2_1/m,A6B24C7_mP74_11_3f_2e11f_e3f:Ni-O-P,74.0,"Invalid WP multiplicities - A6B24C7_mP74_11_8f_3e42f_2e11f:Ni-O-P, expected Ni16(P8O29)3 to be Ni6P7O24" +mp-761075,NiP4O11,-7.53231442,-2.4168817618,0.0102935222,-0.0097419445,GGA+U,P-1,AB11C4_aP64_2_2i_22i_8i:Ni-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_3i_43i_15i:Ni-O-P, expected Ni3P15O43 to be NiP4O11" +mp-759325,NiP4O11,-7.5370910078,-2.4216583497,0.0055169344,-0.0145185323,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ni-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_41e_13e:Ni-O-P, expected NiP13O41 to be NiP4O11" +mp-759388,NiP4O11,-7.5403392912,-2.4249066331,0.0022686509,-0.0177668158,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ni-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_15e:Ni-O-P, expected NiP15O43 to be NiP4O11" +mp-28957,NiP4O11,-7.5426079422,-2.427175284,0.0,-0.0200354667,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Ni-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_13e_7e:Ni-O-P, expected NiP7O13 to be NiP4O11" +mp-1210328,Ni(PO5)2,-6.2089286019,-1.1263417707,0.5225702302,0.5225702302,GGA+U,P2_1/c,AB10C2_mP26_14_a_5e_e:Ni-O-P,26.0,AB10C2_mP26_14_a_5e_e:Ni-O-P +mp-26314,Ni5(P3O11)2,-7.2099733248,-2.0521657464,0.0823530511,0.0823530511,GGA+U,P2_1/c,A5B22C6_mP66_14_a2e_11e_3e:Ni-O-P,66.0,"Invalid WP multiplicities - A5B22C6_mP66_14_2a4e_42e_6e:Ni-O-P, expected Ni5(PO7)6 to be Ni5(P3O11)2" +mp-585202,Ni4P4O15,-7.2436392798,-2.0708528704,0.0597238385,0.0597238385,GGA+U,C2/c,A4B15C4_mC184_15_c3e2f_15f_4f:Ni-O-P,92.0,"Invalid WP multiplicities - A4B15C4_mC184_15_2a6e8f_53f_11f:Ni-O-P, expected Ni12P11O53 to be Ni4P4O15" +mp-4740,Y(CrSi)2,-7.724008842,-0.3993684193,0.1212667478,0.1212667478,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cr-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Cr-Si-Y +mp-1025372,Y2Cr2C3,-8.8629206943,-0.3022016023,0.0,-0.0691242656,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Cr-Y,7.0,A3B2C2_mC14_12_ai_i_i:C-Cr-Y +mp-1206170,YCr2Si2C,-8.0750239317,-0.4330459974,0.0053189103,0.0053189103,GGA,P4/mmm,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Y,6.0,AB2C2D_tP6_123_b_e_h_a:C-Cr-Si-Y +mp-1226157,Cs2Ti(WO4)3,-8.5049740106,-2.5093655669,0.0,-0.0739558362,GGA+U,R-3m,A2B12CD3_hR54_166_c_2h_a_d:Cs-O-Ti-W,18.0,"Invalid WP multiplicities - A2B12CD3_hR54_166_c_9h_a_d:Cs-O-Ti-W, expected Cs2Ti(WO18)3 to be Cs2Ti(WO4)3" +mp-753512,TiWO4,-9.4962271711,-2.7228309892,0.0471694964,0.0471694964,GGA+U,P2/m,A4BC_mP18_10_3m3n_cn_em:O-Ti-W,18.0,"Invalid WP multiplicities - A4BC_mP18_10_6m6n_an_em:O-Ti-W, expected TiWO8 to be TiWO4" +mp-776763,Ti3(WO6)2,-9.2532813887,-2.8436930919,0.0420066062,0.0420066062,GGA+U,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-Ti-W,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_43e_11e_2e:O-Ti-W, expected Ti11W2O43 to be Ti3(WO6)2" +mp-851115,Ti7(WO5)6,-9.2837458402,-2.7391438208,0.071236105,0.071236105,GGA+U,P3,A30B7C6_hP43_143_10d_3a4b_2ab3c:O-Ti-W,43.0,"Invalid WP multiplicities - A30B7C6_hP43_143_28d_3a4b_2ab3c:O-Ti-W, expected Ti7(WO14)6 to be Ti7(WO5)6" +mp-1041750,Ti(WO4)2,-9.0641147764,-2.3927273067,0.156543363,0.156543363,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-Ti-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-Ti-W, expected Ti(WO8)2 to be Ti(WO4)2" +mp-1041486,Ti(WO4)2,-9.1060833077,-2.434695838,0.1145748316,0.1145748316,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Ti-W,22.0,A8BC2_mP22_13_4g_e_g:O-Ti-W +mp-989527,Cs2NaNF6,-4.095830436,-1.8039605592,0.0,-0.0299410265,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-N-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-N-Na +mp-1112284,K2GaAgF6,-4.645780843,-2.6907484705,0.0,-0.0024425297,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ga-K +mp-559282,CdB2XeF10,-4.9117629457,-2.5237174352,0.0,-0.0002750504,GGA,P2_1/c,A2BC10D_mP56_14_2e_e_10e_e:B-Cd-F-Xe,56.0,"Invalid WP multiplicities - A2BC10D_mP56_14_4e_e_38e_e:B-Cd-F-Xe, expected CdB4XeF38 to be CdB2XeF10" +mp-557364,CdB2F8,-5.6865017586,-2.9980013003,0.0,-0.0579294316,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:B-Cd-F,88.0,"Invalid WP multiplicities - A2BC8_oP88_61_9c_c_58c:B-Cd-F, expected CdB9F58 to be CdB2F8" +mp-755165,YScO3,-9.469694941,-3.9418936706,0.0286960648,0.0286960648,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sc-Y,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:O-Sc-Y, expected YScO7 to be YScO3" +mp-769007,YScO3,-9.4784548087,-3.9506535383,0.0199361971,0.0199361971,GGA,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-Sc-Y,30.0,"Invalid WP multiplicities - A3BC_hP30_185_a3b11c_c_a2b:O-Sc-Y, expected Y5Sc3O40 to be YScO3" +mp-768479,YScO3,-9.467514688,-3.9397134176,0.0308763178,0.0308763178,GGA,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-Sc-Y,10.0,"Invalid WP multiplicities - A3BC_hP10_194_b2f_c_a:O-Sc-Y, expected YScO5 to be YScO3" +mp-10429,LaYO3,-9.1327788055,-3.8842699351,0.039025028,0.039025028,GGA,Pnma,AB3C_oP20_62_c_cd_a:La-O-Y,20.0,AB3C_oP20_62_c_cd_a:La-O-Y +mp-1222847,LaY3Sc4O12,-9.3891030335,-3.9378249635,0.0279490266,0.0279490266,GGA,Pm,AB12C4D3_mP20_6_a_2a2b4c_2c_a2b:La-O-Sc-Y,20.0,"Invalid WP multiplicities - AB12C4D3_mP20_6_a_2a2b8c_4c_a2b:La-O-Sc-Y, expected LaY3Sc8O20 to be LaY3Sc4O12" +mp-754671,YScO2,-8.935471245,-3.2623918348,0.0468886606,0.0468886606,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Sc-Y,4.0,A2BC_hR12_166_c_a_b:O-Sc-Y +mp-1223134,La3YSc4O12,-9.2393336645,-3.9411019953,0.0150405042,0.0150405042,GGA,Pm,A3B12C4D_mP20_6_a2b_2a2b4c_2c_a:La-O-Sc-Y,20.0,"Invalid WP multiplicities - A3B12C4D_mP20_6_a2b_2a2b8c_4c_a:La-O-Sc-Y, expected La3YSc8O20 to be La3YSc4O12" +mp-6543,VAg(PSe3)2,-4.914956224,-0.5431026287,0.0090355761,0.0090355761,GGA,C2,AB2C6D_mC20_5_a_c_3c_a:Ag-P-Se-V,10.0,AB2C6D_mC20_5_a_c_3c_a:Ag-P-Se-V +mp-1204464,TmN7O15,-6.4970795243,-0.5391825432,0.5521395218,0.5521395218,GGA,P3_1,A7B15C_hP69_144_7a_15a_a:N-O-Tm,69.0,"Invalid WP multiplicities - A7B15C_hP69_152_2ab4c_a13c_a:N-O-Tm, expected TmN11O27 to be TmN7O15" +mp-729291,RbTmN4O15,-6.1639571486,-0.7828771550000001,0.4565189658,0.4565189658,GGA,P2_1/c,A4B15CD_mP84_14_4e_15e_e_e:N-O-Rb-Tm,84.0,A4B15CD_mP84_14_4e_15e_e_e:N-O-Rb-Tm +mp-1203703,Tm(NO3)3,-7.1478285175,-1.4550963175,0.0,-0.1692702769,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:N-O-Tm,52.0,A3B9C_mP52_14_3e_9e_e:N-O-Tm +mp-1113787,Rb2VCuF6,-5.346730401,-2.685424932,0.083442921,0.083442921,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-V,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-V +mp-1209206,RbVCuF6,-5.5813060186,-2.7332481722,0.0,-0.0019815875,GGA+U,Pnma,AB6CD_oP36_62_c_2c2d_c_a:Cu-F-Rb-V,36.0,AB6CD_oP36_62_c_2c2d_c_a:Cu-F-Rb-V +mp-13551,ScTeO3F,-7.212700167699999,-2.8414801511,0.0,-0.0236811307,GGA,Pnna,AB3CD_oP48_52_e_3e_cd_e:F-O-Sc-Te,48.0,"Invalid WP multiplicities - AB3CD_oP48_52_e_4e_cd_e:F-O-Sc-Te, expected ScTeO4F to be ScTeO3F" +mp-4661,ScOF,-8.523858715,-4.1269797871,0.0,-0.0112902351,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Sc,12.0,ABC_mP12_14_e_e_e:F-O-Sc +mp-4662,ScOF,-8.47613008,-4.0792511521,0.047728635,0.0364383999,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Sc,12.0,ABC_mP12_14_e_e_e:F-O-Sc +mp-989178,ScOF,-8.4400625067,-4.0431835787,0.0837962083,0.0725059732,GGA,P4/nmm,ABC_tP6_129_a_b_c:F-O-Sc,6.0,ABC_tP6_129_a_b_c:F-O-Sc +mp-1205990,Nb(NCl3)2,-4.1766644689,0.0306149589,1.1925598524,1.1925598524,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Nb,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Nb +mp-570531,NbP2NCl12,-4.5705044947,-1.3550766885,0.0,-0.021164596,GGA,C2/c,A12BCD2_mC64_15_6f_e_a_f:Cl-N-Nb-P,32.0,"Invalid WP multiplicities - A12BCD2_mC64_15_21f_e_c_f:Cl-N-Nb-P, expected NbP2NCl42 to be NbP2NCl12" +mp-1209922,NbNCl6,-4.2980711619,-0.6069436712,0.7002443340000001,0.7002443340000001,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-N-Nb,16.0,A6BC_mC32_15_3f_e_a:Cl-N-Nb +mp-1203891,NbN2Cl5,-4.5135159819,-0.0113937081,1.2957942971,1.2957942971,GGA,P4/mnc,A5B2C_tP32_128_ei_abd_e:Cl-N-Nb,32.0,A5B2C_tP32_128_ei_abd_e:Cl-N-Nb +mp-685249,K2OsO5,-6.5770814810000005,-1.804380371,0.0070610354,-0.3236875767,GGA,P1,A2B5C_aP48_1_12a_30a_6a:K-O-Os,48.0,A2B5C_aP48_1_12a_30a_6a:K-O-Os +mp-762088,K2OsO5,-6.5841425165,-1.8114414064,0.0,-0.3307486121,GGA,P-6,A2B5C_hP48_174_ghijk_3j3k2l_jk:K-O-Os,48.0,"Invalid WP multiplicities - A2B5C_hP48_174_2ghi2j2k_8j8k6l_2j2k:K-O-Os, expected K5(OsO7)3 to be K2OsO5" +mp-1080446,K2OsO6,-6.1359627422,-1.3439296765,0.2662404625,0.2662404625,GGA,I4/m,A2B6C_tI18_87_d_eh_a:K-O-Os,9.0,A2B6C_tI18_87_d_eh_a:K-O-Os +mp-554461,K(OsO3)2,-7.5752610133,-1.6591203384000002,0.0,-0.0816053766,GGA,P-1,AB6C2_aP18_2_i_6i_2i:K-O-Os,18.0,"Invalid WP multiplicities - AB6C2_aP18_2_i_11i_2i:K-O-Os, expected KOs2O11 to be K(OsO3)2" +mp-675028,K(OsO3)2,-7.5640543867,-1.6479137117,0.0112066267,-0.0703987499,GGA,R3m,AB6C2_hR54_160_2a_4b_ab:K-O-Os,18.0,"Invalid WP multiplicities - AB6C2_hR54_160_2a_7b_ab:K-O-Os, expected K2Os4O21 to be K(OsO3)2" +mp-4788,K(OsO3)2,-7.5644750422,-1.6483343673,0.0107859711,-0.0708194055,GGA,Fd-3m,AB6C2_cF72_227_a_f_d:K-O-Os,18.0,AB6C2_cF72_227_a_f_d:K-O-Os +mp-1194433,K3NaOs2O9,-6.5883112193,-1.8130675263,0.0,-0.0308138493,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:K-Na-O-Os,30.0,A3BC9D2_hP30_194_bf_a_hk_f:K-Na-O-Os +mp-1185009,KOsO3,-7.065703604,-1.6301371018,0.0386250924,0.0386250924,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Os,5.0,AB3C_cP5_221_a_c_b:K-O-Os +mp-558441,NaZr2VF11,-6.965480968,-3.7302742169,0.0,-0.0114451144,GGA+U,C2/m,A11BCD2_mC30_12_bh2ij_c_a_i:F-Na-V-Zr,15.0,A11BCD2_mC30_12_ah2ij_c_b_i:F-Na-V-Zr +mp-557686,ZrVF6,-7.3164193188,-3.6788592556,0.0,-0.0523173597,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-V-Zr,8.0,A6BC_cF32_225_e_a_b:F-V-Zr +mp-756152,Sm4U2O11,-9.4788733088,-3.8394179921,0.0006197233,0.0006197233,GGA,C2,A11B4C2_mC34_5_2ab4c_2c_c:O-Sm-U,17.0,"Invalid WP multiplicities - A11B4C2_mC34_5_2ab8c_3c_c:O-Sm-U, expected Sm6U2O19 to be Sm4U2O11" +mp-752785,Sm4U4O17,-9.6251828272,-3.6998351203,0.0885673033,0.0885673033,GGA,Cmmm,A17B4C4_oC50_65_a2h2pq_ej_gj:O-Sm-U,25.0,"Invalid WP multiplicities - A17B4C4_oC50_65_a4h6p4q_2e2j_2gj:O-Sm-U, expected Sm8U6O49 to be Sm4U4O17" +mp-1173414,Sm6U3O17,-9.4720492588,-3.8459163769,0.0,-0.0368310223,GGA,C2,A17B6C3_mC52_5_a8c_3c_bc:O-Sm-U,26.0,"Invalid WP multiplicities - A17B6C3_mC52_5_a16c_5c_b2c:O-Sm-U, expected Sm10U5O33 to be Sm6U3O17" +mp-1207130,Ba2SmUO6,-8.548967045,-3.5961592158,0.0,-0.0368775304,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-U,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-U +mp-625452,Pr(HO)3,-6.4570947607,-2.2000733288,0.002371015,-0.0416600203,GGA,Pm,A3B3C_mP14_6_3a3b_3a3b_ab:H-O-Pr,14.0,A3B3C_mP14_6_3a3b_3a3b_ab:H-O-Pr +mp-626361,Pr(HO)3,-6.4575339286,-2.2005124966,0.0019318471,-0.0420991881,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Pr,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Pr, expected Pr(HO)6 to be Pr(HO)3" +mp-625447,Pr(HO)3,-6.4594657757,-2.2024443437,0.0,-0.0440310353,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Pr,14.0,A3B3C_hP14_176_h_h_c:H-O-Pr +mp-1220119,PrH18(BrO6)3,-5.1885389711,-1.1998025622,0.0,-0.049527079,GGA,P6_3mc,A3B18C18D_hP80_186_c_3d_4cd_b:Br-H-O-Pr,80.0,"Invalid WP multiplicities - A3B18C18D_hP80_186_c_5d_6cd_b:Br-H-O-Pr, expected PrH30(BrO8)3 to be PrH18(BrO6)3" +mp-558289,UAg2(SeO4)2,-6.6596848219,-1.7733883095,0.0,-0.0184801225,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Ag-O-Se-U,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_5e_28e_6e_e:Ag-O-Se-U, expected UAg5(Se3O14)2 to be UAg2(SeO4)2" +mp-1223508,KLuTa2O7,-9.1551045077,-3.3393112617,0.1088879832,0.1088879832,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:K-Lu-O-Ta,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e2j_bd:K-Lu-O-Ta, expected KLuTa2O13 to be KLuTa2O7" +mp-23489,CsIO4,-4.8718717879,-1.1792845267,0.0,-0.0241728219,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cs-I-O,24.0,ABC4_oP24_62_c_c_2cd:Cs-I-O +mp-572805,Cs2I4O11,-4.8203635903,-1.1675491216,0.0,-0.0343591854,GGA,P2_1/c,A2B4C11_mP68_14_2e_4e_11e:Cs-I-O,68.0,"Invalid WP multiplicities - A2B4C11_mP68_14_5e_15e_43e:Cs-I-O, expected Cs5I15O43 to be Cs2I4O11" +mp-1196065,Cs2I4O11,-4.8125006868,-1.1596862181,0.0078629035,-0.0264962819,GGA,P6_3,A2B4C11_hP34_173_2b_ac_ab3c:Cs-I-O,34.0,A2B4C11_hP34_173_2b_ac_ab3c:Cs-I-O +mp-1236534,Cs2Li(IO3)2,-4.6387616882,-1.3363441811,0.1757689936,0.1757689936,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Cs-I-Li-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Cs-I-Li-O +mp-1235039,Cs2Li(IO3)2,-4.53846171,-1.2360442029,0.2760689718,0.2760689718,GGA,Pm,A2B2CD6_mP11_6_ab_ab_a_ab2c:Cs-I-Li-O,11.0,"Invalid WP multiplicities - A2B2CD6_mP11_6_ab_ab_a_ab3c:Cs-I-Li-O, expected Cs2Li(IO4)2 to be Cs2Li(IO3)2" +mp-1206444,Cs3IO,-3.290399019,-1.4691465835,0.0,-0.051411403,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cs-I-O,10.0,A3BC_hP10_194_h_c_a:Cs-I-O +mp-28295,CsIO3,-4.827901017,-1.3861340458,0.0,-0.1487022929,GGA,Pmn2_1,ABC3_oP10_31_a_a_ab:Cs-I-O,10.0,"Invalid WP multiplicities - ABC3_oP10_31_a_a_2a2b:Cs-I-O, expected CsIO6 to be CsIO3" +mp-613384,CsIO3,-2.861480212,0.5802867592000001,1.966420805,1.8177185121,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cs-I-O,5.0,ABC3_cP5_221_b_a_c:Cs-I-O +mp-1196607,NaIn(IO3)4,-5.0025636033,-1.151011439,0.0,-0.020594715,GGA,P2_1/c,A4BCD12_mP36_14_2e_a_b_6e:I-In-Na-O,36.0,A4BCD12_mP36_14_2e_a_d_6e:I-In-Na-O +mp-1224214,K4Pb2Br8O,-3.4991237427,-1.5499367240000002,0.1205897939,0.1205897939,GGA,P-1,A8B4CD2_aP15_2_4i_2i_a_bc:Br-K-O-Pb,15.0,"Invalid WP multiplicities - A8B4CD2_aP15_2_8i_4i_a_bc:Br-K-O-Pb, expected K8Pb2Br16O to be K4Pb2Br8O" +mp-1105991,K2PbBr4O,-3.5057469113,-1.3692160368,0.2217068589,0.2217068589,GGA,P2_12_12,A4B2CD_oP16_18_2c_c_a_b:Br-K-O-Pb,16.0,A4B2CD_oP16_18_2c_c_a_b:Br-K-O-Pb +mp-31508,KPb2Br5,-3.5670158863,-1.5294115441,0.0002395731,0.0002395731,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Br-K-Pb,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_10e_e_3e:Br-K-Pb, expected KPb3Br10 to be KPb2Br5" +mp-1102208,KPbBr3O,-3.7139745308,-1.3091712445,0.121847046,0.121847046,GGA,Cmc2_1,A3BCD_oC24_36_3a_a_a_a:Br-K-O-Pb,12.0,A3BCD_oC24_36_3a_a_a_a:Br-K-O-Pb +mp-553918,Eu2B5ClO9,-8.9292656179,-3.0304598817,0.0,-0.044297811,GGA,Pnn2,A5BC2D9_oP68_34_5c_ab_2c_9c:B-Cl-Eu-O,68.0,"Invalid WP multiplicities - A5BC2D9_oP68_34_13c_2ab_3c_31c:B-Cl-Eu-O, expected Eu6B26Cl3O62 to be Eu2B5ClO9" +mp-1202692,Eu5B3ClO9,-9.7011923592,-3.162752394,0.0,-0.0035251647,GGA,C222_1,A3BC5D9_oC72_20_ac_b_a2bc_a4c:B-Cl-Eu-O,36.0,A3BC5D9_oC72_20_ac_b_a2bc_a4c:B-Cl-Eu-O +mp-8109,EuB4O7,-8.9526688054,-2.9858863169000003,0.0,-0.0254199976,GGA,Pmn2_1,A4BC7_oP24_31_2b_a_a3b:B-Eu-O,24.0,"Invalid WP multiplicities - A4BC7_oP24_31_3b_a_a6b:B-Eu-O, expected EuB6O13 to be EuB4O7" +mp-1199302,Eu4BClO7,-9.5795110248,-3.1039143625,0.0,-0.0156587841,GGA,P2_1/c,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Eu-O,52.0,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Eu-O +mp-1212596,Eu2B2O5,-9.6620520444,-3.1502486336,0.0,-0.0026506107,GGA,P2_1/c,A2B2C5_mP36_14_2e_2e_5e:B-Eu-O,36.0,A2B2C5_mP36_14_2e_2e_5e:B-Eu-O +mp-22248,Eu(BO2)3,-8.9597491015,-2.9622181635,0.0,-0.0101659948,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:B-Eu-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_ef_e_6f:B-Eu-O, expected Eu(BO4)3 to be Eu(BO2)3" +mp-505346,Eu3(BO3)2,-9.9031989291,-3.1932060919,0.0,-0.0448910736,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-Eu-O,22.0,A2B3C6_hR66_167_c_e_f:B-Eu-O +mp-1213631,Eu2B4O9,-9.1165759737,-2.999791368,0.0101156247,0.0101156247,GGA,C2/c,A4B2C9_mC300_15_10f_5f_e22f:B-Eu-O,150.0,A4B2C9_mC300_15_10f_5f_e22f:B-Eu-O +mp-540879,Eu(BO2)2,-9.2762910839,-3.0759282001,0.0,-0.0196008904,GGA,Pbcn,A2BC4_oP28_60_d_c_2d:B-Eu-O,28.0,A2BC4_oP28_60_d_c_2d:B-Eu-O +mp-22030,EuBO3,-9.460576592,-3.1052846511,0.0,-0.0591485068,GGA,P-1,ABC3_aP20_2_2i_2i_6i:B-Eu-O,20.0,ABC3_aP20_2_2i_2i_6i:B-Eu-O +mp-1225223,EuBO3,-9.42071244,-3.0654204991,0.039864152,-0.0192843548,GGA,Ama2,ABC3_oC20_40_b_a_bc:B-Eu-O,10.0,ABC3_oC20_40_b_a_bc:B-Eu-O +mp-1234117,MgZr3U7O20,-10.1529673661,-3.533063294,0.3648137366,0.3648137366,GGA,P1,AB20C7D3_aP31_1_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_aP31_1_a_20a_7a_3a:Mg-O-U-Zr +mp-1233470,MgZr3U7O20,-10.1281242926,-3.5082202205,0.3896568101,0.3896568101,GGA,Cm,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr +mp-1234043,MgZr3U7O20,-10.1418431503,-3.5219390782,0.3759379524,0.3759379524,GGA,Cm,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr +mp-1234189,MgZr3U7O20,-10.1281313284,-3.5082272563,0.3896497743,0.3896497743,GGA,Cm,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr +mp-1234525,MgZr3U7O20,-10.1344647623,-3.5145606902,0.3833163405,0.3833163405,GGA,Cm,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr +mp-1234547,MgZr3U7O20,-10.1334898703,-3.5135857982000003,0.3842912324,0.3842912324,GGA,Cm,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr,31.0,AB20C7D3_mC62_8_a_20a_7a_3a:Mg-O-U-Zr +mp-1191955,CsB3H8,-4.36471889,-0.3584367196,0.0048663779,0.0048663779,GGA,Ama2,A3BC8_oC48_40_bc_b_2b3c:B-Cs-H,24.0,A3BC8_oC48_63_cf_c_fgh:B-Cs-H +mp-28582,CsB3H8,-4.3637488229,-0.3574666525,0.005836445,0.005836445,GGA,Cmcm,A3BC8_oC48_63_cf_c_fgh:B-Cs-H,24.0,A3BC8_oC48_63_cf_c_fgh:B-Cs-H +mp-27590,CsB9H14,-4.7920488546,-0.2708783154,0.0639923027,0.0639923027,GGA,P-1,A9BC14_aP48_2_9i_i_14i:B-Cs-H,48.0,A9BC14_aP48_2_9i_i_14i:B-Cs-H +mp-24136,Cs(BH)6,-5.1886960227,-0.471149156,0.0,-0.1811270893,GGA,Fm-3,A6BC6_cF104_202_h_c_h:B-Cs-H,26.0,A6BC6_cF104_202_h_c_h:B-Cs-H +mp-24799,Cs3B12H12Cl,-4.9988363011,-0.5202592451,0.0783042657,0.0783042657,GGA,R-3m,A12BC3D12_hR84_166_2h_a_d_2h:B-Cl-Cs-H,28.0,"Invalid WP multiplicities - A12BC3D12_hR84_166_3h_a_d_3h:B-Cl-Cs-H, expected Cs3B18H18Cl to be Cs3B12H12Cl" +mp-1225884,CsBH4,-4.0381150867,-0.5138320328,0.0,-0.225407145,GGA,F-43m,ABC4_cF24_216_a_b_e:B-Cs-H,6.0,ABC4_cF24_216_a_b_e:B-Cs-H +mp-23951,Cs(BH)3,-4.8291548843,-0.3846183386,0.0528773062,0.0528773062,GGA,Fm-3m,A3BC3_cF56_225_e_c_e:B-Cs-H,14.0,A3BC3_cF56_225_e_c_e:B-Cs-H +mp-570530,Cs(BCl)6,-5.2423071948,-1.2374631212,0.0,-0.1553553663,GGA,R-3,A6B6C_hR156_148_4f_4f_2c:B-Cl-Cs,52.0,"Invalid WP multiplicities - A6B6C_hR156_148_20f_21f_3c:B-Cl-Cs, expected CsB20Cl21 to be Cs(BCl)6" +mp-1213132,ErMg(BO2)5,-8.3406652907,-3.103497948,0.014839271,0.014839271,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Er-Mg-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Er-Mg-O +mp-865213,Ba8Bi4H2O,-3.9924881087,-1.1627616526,0.0,-0.0185036962,GGA,I4/mmm,A8B4C2D_tI30_139_cd2e_2e_e_a:Ba-Bi-H-O,15.0,"Invalid WP multiplicities - A8B4C2D_tI30_139_cd4e_3e_e_a:Ba-Bi-H-O, expected Ba12Bi6H2O to be Ba8Bi4H2O" +mp-8616,ScAg(PS3)2,-5.437090917,-0.9560579847,0.0,-0.0278122403,GGA,P-31c,AB2C6D_hP20_163_c_f_i_a:Ag-P-S-Sc,20.0,AB2C6D_hP20_163_c_f_i_a:Ag-P-S-Sc +mp-6999,ScPS4,-5.9798679367,-1.2646060901,0.0,-0.0389148077,GGA,P-1,AB4C_aP12_2_i_4i_i:P-S-Sc,12.0,AB4C_aP12_2_i_4i_i:P-S-Sc +mp-8993,Sm2S2O,-7.4598391735,-2.9284870305,0.0070076528,0.0070076528,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-S-Sm,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_4e_2e:O-S-Sm, expected Sm2S4O to be Sm2S2O" +mp-5598,Sm2SO2,-8.197091006,-3.5036910941,0.0,-0.1080896571,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-S-Sm,5.0,A2BC2_hP5_164_d_a_d:O-S-Sm +mp-1208980,Sm2(SO4)3,-7.4001804088,-2.6233106203,0.0,-0.3730471293,GGA,C2/c,A12B3C2_mC68_15_6f_ef_f:O-S-Sm,34.0,A12B3C2_mC68_15_6f_ef_f:O-S-Sm +mp-560711,Sm10S14O,-6.8745658385,-2.4728519106,0.008085644,0.008085644,GGA,I4_1/acd,AB14C10_tI200_142_a_e3g_f2g:O-S-Sm,100.0,"Invalid WP multiplicities - AB14C10_tI200_142_a_6e35g_6f21g:O-S-Sm, expected Sm96S152O to be Sm10S14O" +mp-1235642,LiSm2SO2,-6.947119335,-2.7177989307,0.2019436478,0.2019436478,GGA,P3m1,AB2CD2_hP6_156_a_ab_c_ab:Li-O-S-Sm,6.0,AB2CD2_hP6_156_a_ab_c_ab:Li-O-S-Sm +mp-1235700,LiSm2SO2,-6.8735881317,-2.6442677273,0.2754748511,0.2754748511,GGA,P-3m1,AB2CD2_hP6_164_a_d_b_d:Li-O-S-Sm,6.0,AB2CD2_hP6_164_a_d_b_d:Li-O-S-Sm +mp-1210992,LiSm(SO4)2,-6.940718625,-2.4012254229,0.131324658,0.131324658,GGA,P-4n2,AB8C2D_tP24_118_c_2i_f_d:Li-O-S-Sm,24.0,AB8C2D_tP24_118_c_2i_f_d:Li-O-S-Sm +mp-1222274,LiSmS2,-5.7112322675,-1.9861300836,0.06777392,0.0573448003,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-S-Sm,4.0,AB2C_tP4_123_a_bc_d:Li-S-Sm +mp-34477,LiSmS2,-5.7732201125,-2.0481179286,0.005786075,-0.0046430447,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-S-Sm,8.0,AB2C_tI16_141_a_e_b:Li-S-Sm +mp-1222296,LiSmS2,-5.7790061875,-2.0539040036,0.0,-0.0104291197,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Sm,4.0,AB2C_hR12_166_a_c_b:Li-S-Sm +mp-1208974,SmSO4,-7.0186831379,-2.2450513301,0.5560353967,0.5560353967,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-S-Sm,24.0,A4BC_oP24_62_2cd_c_c:O-S-Sm +mp-15783,KSmS2,-5.63568089,-2.1102096861,0.0,-0.1721402547,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Sm,4.0,AB2C_hR12_166_a_c_b:K-S-Sm +mp-11604,KSm2CuS4,-5.7922635312,-1.8931913619,0.0,-0.0223238766,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cu-K-S-Sm,16.0,"Invalid WP multiplicities - ABC4D2_oC32_63_c_c_a2c3f_f:Cu-K-S-Sm, expected KSm2CuS9 to be KSm2CuS4" +mp-1206631,NiPb2WO6,-7.316656087,-1.7322867553,0.0383934029,0.0383934029,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ni-O-Pb-W,20.0,AB6C2D_cF40_225_a_e_c_b:Ni-O-Pb-W +mp-25292,Ni(WO4)2,-8.1138403155,-1.6347578764,0.1991465452,0.1991465452,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Ni-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Ni-O-W, expected Ni(WO8)2 to be Ni(WO4)2" +mp-1386741,Ni(WO4)2,-8.0676941182,-1.5886116791,0.2452927425,0.2452927425,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Ni-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Ni-O-W, expected Ni(WO8)2 to be Ni(WO4)2" +mp-1042304,Ni(WO4)2,-8.0963893505,-1.6173069114,0.2165975102,0.2165975102,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Ni-O-W,22.0,AB8C2_mP22_13_e_4g_g:Ni-O-W +mp-21179,NiWO4,-8.3217851808,-1.9009482217,0.0,-0.0334978548,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Ni-O-W,12.0,AB4C_mP12_13_e_2g_f:Ni-O-W +mp-1195705,Cs4Ge(PS3)4,-4.7624424383,-0.9769545444,0.0,-0.0079441665,GGA,C2/c,A4BC4D12_mC84_15_2f_e_2f_6f:Cs-Ge-P-S,42.0,A4BC4D12_mC84_15_2f_e_2f_6f:Cs-Ge-P-S +mp-1220599,NbVNi,-8.4948551633,-0.1730725667,0.0,-0.0043634394,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Nb-Ni-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Nb-Ni-V, expected Nb3(VNi)2 to be NbVNi" +mp-1220550,Nb6V3Ni3C2,-9.1566593511,-0.3239958171,0.0,-0.0092553838,GGA,Imm2,A2B6C3D3_oI56_44_cd_2a2b2e_2cd_c2d:C-Nb-Ni-V,28.0,A2B6C3D3_oI56_44_cd_2a2b2e_2cd_c2d:C-Nb-Ni-V +mp-1220365,NbVC2,-9.7954014575,-0.3847659338,0.1137322372,0.1137322372,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Nb-V,4.0,A2BC_hR12_166_c_a_b:C-Nb-V +mp-989584,Ca6Sn2NO,-4.640235048,-1.3066423854,0.0,-0.0255965044,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Ca-N-O-Sn,10.0,A6BCD2_cF40_225_e_a_b_c:Ca-N-O-Sn +mp-1228354,Ba2TiVS6,-6.36557211,-1.8019673932,0.028340374,0.028340374,GGA,P-3m1,A2B6CD_hP10_164_d_i_a_b:Ba-S-Ti-V,10.0,A2B6CD_hP10_164_d_i_a_b:Ba-S-Ti-V +mp-1217134,Ti3VS4,-7.6991789025,-1.5346562041,0.0574202391,0.0574202391,GGA,P2/m,A4B3C_mP8_10_mn_ace_h:S-Ti-V,8.0,"Invalid WP multiplicities - A4B3C_mP8_10_2mn_ace_h:S-Ti-V, expected Ti3VS6 to be Ti3VS4" +mp-1216761,TiVS2,-7.7189235637,-1.4058491086,0.0584668895,0.0584668895,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:S-Ti-V,8.0,A2BC_oP8_26_ab_a_b:S-Ti-V +mp-1217148,Ti3VS6,-7.368629407,-1.6097212749,0.0,-0.0020883048,GGA,R-3,A6B3C_hR30_148_f_ac_b:S-Ti-V,10.0,A6B3C_hR30_148_f_ac_b:S-Ti-V +mp-1025368,Ti2VS4,-7.49177612,-1.5745347527,0.0,-0.0006270264,GGA,C2/m,A4B2C_mC14_12_2i_i_a:S-Ti-V,7.0,A4B2C_mC14_12_2i_i_a:S-Ti-V +mp-1112086,K2ScAgI6,-3.358094512,-1.3354924018,0.0505724045,0.0505724045,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Sc +mp-1101823,Cd(N2O3)2,-5.2297840109,0.5837616007,1.4002722033,1.4002722033,GGA,Pm-3,AB4C6_cP11_200_b_ac_f:Cd-N-O,11.0,AB4C6_cP11_200_b_ac_f:Cd-N-O +mp-1227365,Cd3NO8,-4.8634898183,-0.6402669938000001,0.3028619114,0.3028619114,GGA,P2_1/m,A3BC8_mP24_11_3e_e_8e:Cd-N-O,24.0,"Invalid WP multiplicities - A3BC8_mP24_11_5e_e_12e:Cd-N-O, expected Cd5NO12 to be Cd3NO8" +mp-726098,CdNO4,-5.6655698096,-0.8245465546,0.1514794494,0.1514794494,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Cd-N-O,24.0,ABC4_oP24_19_a_a_4a:Cd-N-O +mp-1213862,CdOs2(NO2)4,-6.1458045867,0.274003014,1.3734424686,1.3734424686,GGA,F-43m,AB4C8D2_cF60_216_a_e_2e_bc:Cd-N-O-Os,15.0,AB4C8D2_cF60_216_a_e_2e_bc:Cd-N-O-Os +mp-1182373,Cd(NO4)2,-5.7196562852,-0.5224390761000001,0.2940715265,0.2940715265,GGA,P2_1/c,AB2C8_mP44_14_e_2e_8e:Cd-N-O,44.0,AB2C8_mP44_14_e_2e_8e:Cd-N-O +mp-1182217,Cd5(NO8)2,-4.7328623043,-0.3661467378,0.4992618841,0.4992618841,GGA,C2/m,A5B2C16_mC46_12_ahi_i_4i2j:Cd-N-O,23.0,A5B2C16_mC46_12_ahi_i_4i2j:Cd-N-O +mp-1191469,Cd5(NO8)2,-4.820162123,-0.4534465565,0.4119620654,0.4119620654,GGA,C2/m,A5B2C16_mC46_12_ahi_i_4i2j:Cd-N-O,23.0,A5B2C16_mC46_12_ahi_i_4i2j:Cd-N-O +mp-27198,Cd(NO3)2,-6.2508476118,-0.9979574032,0.0,-0.2144000031,GGA,Pca2_1,AB2C6_oP72_29_2a_4a_12a:Cd-N-O,72.0,"Invalid WP multiplicities - AB2C6_oP72_29_2a_5a_20a:Cd-N-O, expected Cd2(NO4)5 to be Cd(NO3)2" +mp-1204701,Cd(NO3)2,-5.4514225875,-0.1985323789,0.7994250243000001,0.5850250212,GGA,Pbcn,AB2C6_oP36_60_c_d_3d:Cd-N-O,36.0,AB2C6_oP36_60_c_d_3d:Cd-N-O +mp-1192817,Cd(NO5)2,-5.5588290462,-0.4001546829,0.2907389039,0.2907389039,GGA,Fdd2,AB2C10_oF104_43_a_b_5b:Cd-N-O,26.0,AB2C10_oF104_43_a_b_5b:Cd-N-O +mp-1227352,CdOs2(NO)6,-6.8637711107,0.0080106518,0.8760143305,0.8760143305,GGA,R3m,AB6C6D2_hR45_160_a_3ab_2b_2a:Cd-N-O-Os,,AB6C6D2_hR45_160_a_3ab_2b_2a:Cd-N-O-Os +mp-1213955,CdNO5,-5.3081013661,-0.4519830459,0.3846106718,0.3846106718,GGA,Pbcm,ABC5_oP28_57_c_d_d2e:Cd-N-O,28.0,ABC5_oP28_57_c_d_d2e:Cd-N-O +mp-1112034,K2YCuBr6,-4.040959467,-1.8304949013,0.0631057482,0.0631057482,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Cu-K-Y +mp-1211625,KLiYbF5,-5.0250640225,-3.2605234061,0.0034680819,0.0034680819,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Yb,,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Yb +mp-616260,KYb3F10,-5.1332527236,-3.3586803334,0.0061157725,0.0061157725,GGA,P6_3mc,A10BC3_hP56_186_2b4cd_ab_2c:F-K-Yb,,"Invalid WP multiplicities - A10BC3_hP56_186_4b20c8d_2ab_7c:F-K-Yb, expected K3Yb21F112 to be KYb3F10" +mp-640562,KYb3F10,-5.1253502014,-3.3507778113,0.0140182946,0.0140182946,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-K-Yb,,"Invalid WP multiplicities - A10BC3_cF112_225_4f5h_c_e:F-K-Yb, expected KYb3F46 to be KYb3F10" +mp-558435,KYb2F7,-5.063932951,-3.3069361231,0.0374232865,0.0374232865,GGA,P2,A7BC2_mP10_3_a3e_d_e:F-K-Yb,,"Invalid WP multiplicities - A7BC2_mP10_3_a6e_c_e:F-K-Yb, expected KYb2F13 to be KYb2F7" +mp-1211759,K3YbF6,-4.768630482,-3.1346625894,0.0177098905,0.0177098905,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-K-Yb,,A6B3C_mP20_14_3e_ae_b:F-K-Yb +mp-1205738,K3YbF6,-4.6996505630000005,-3.0656826704,0.0866898095,0.0866898095,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-K-Yb,,A6B3C_tI20_139_ei_bd_a:F-K-Yb +mp-1205753,K3YbF6,-4.705480618,-3.0715127254,0.0808597545,0.0808597545,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Yb,,A6B3C_cF40_225_e_ac_b:F-K-Yb +mp-1197442,KYbF4,-4.992833646,-3.2768464632,0.0198273215,0.0198273215,GGA,P3_2,A4BC_hP108_145_24a_6a_6a:F-K-Yb,,A4BC_hP108_145_24a_6a_6a:F-K-Yb +mp-1211487,K2YbF5,-4.8711792144,-3.2064540879,3.1381200000000004e-05,3.1381200000000004e-05,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Yb,,A5B2C_oP32_62_3cd_d_c:F-K-Yb +mp-560928,Sb2IBr2F11,-4.341480244,-2.2249993607,0.0,-0.075798464,GGA,Pbca,A2B11CD2_oP128_61_2c_11c_c_2c:Br-F-I-Sb,128.0,"Invalid WP multiplicities - A2B11CD2_oP128_61_10c_81c_c_13c:Br-F-I-Sb, expected Sb13IBr10F81 to be Sb2IBr2F11" +mp-1111264,K2TlNiF6,-4.659264566,-2.4760194134,0.0950481039,0.0950481039,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Ni-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Ni-Tl +mp-1112290,K2AgAsF6,-4.532250544,-2.4141159333,0.0758586564,0.0758586564,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-As-F-K +mp-1111443,K2RbAsF6,-4.652736415,-2.7198039973,0.0652158506,0.0652158506,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-K-Rb +mp-1113892,KRb2AsF6,-4.706510414,-2.7865644838,0.0,-0.0232092956,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-K-Rb +mp-1219544,Rh(N2O3)3,-6.2156827694,0.1532844695,0.8329255133,0.8329255133,GGA,P31m,A6B9C_hP16_157_2c_3c_a:N-O-Rh,16.0,A6B9C_hP16_157_2c_3c_a:N-O-Rh +mp-1209765,Rh(NO)6,-6.2899168788,0.4072684817,1.0058976369,1.0058976369,GGA,P2_1/c,A6B6C_mP52_14_6e_6e_e:N-O-Rh,52.0,A6B6C_mP52_14_6e_6e_e:N-O-Rh +mp-1246256,Li2RhN2,-5.755673058,-0.1846443673,0.1629463432,0.1629463432,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Rh,5.0,A2B2C_hP5_164_d_d_a:Li-N-Rh +mp-1245613,LiRh2N3,-6.7494558267,0.1917147369,0.4598229217,0.4598229217,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Rh,12.0,AB3C2_oC24_36_a_ab_b:Li-N-Rh +mp-1222915,Li3Rh(N3O8)2,-6.0681305462,-0.5967049538,0.5429530524,0.5429530524,GGA,P2_1/c,A3B6C16D_mP52_14_ae_3e_8e_b:Li-N-O-Rh,52.0,"Invalid WP multiplicities - A3B6C16D_mP52_14_ae_6e_14e_d:Li-N-O-Rh, expected Li3Rh(N3O7)4 to be Li3Rh(N3O8)2" +mp-1246336,Li3RhN2,-5.2578943233,-0.2972166033,0.0731269281,0.0731269281,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:Li-N-Rh,24.0,A3B2C_mP24_14_3e_2e_e:Li-N-Rh +mp-1247320,Li3RhN2,-5.2151864215,-0.2545087015,0.1158348299,0.1158348299,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Rh,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Rh +mp-1201391,RhN5O7,-6.3405408819,0.0958901545,0.7738033529,0.7738033529,GGA,P2_1/c,A5B7C_mP52_14_5e_7e_e:N-O-Rh,52.0,A5B7C_mP52_14_5e_7e_e:N-O-Rh +mp-1229021,CsVCuF6,-5.5995379833,-2.7609392148,0.0,-0.0057275686,GGA+U,Imma,ABC6D_oI36_74_e_a_2ej_c:Cs-Cu-F-V,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_e_a_4e2j_c:Cs-Cu-F-V, expected CsVCuF12 to be CsVCuF6" +mp-1194101,Cs2In(IO3)6,-4.9006251474,-1.1071776149,0.0282780099,0.0282780099,GGA,P-1,A2B6CD18_aP27_2_i_3i_a_9i:Cs-I-In-O,27.0,A2B6CD18_aP27_2_i_3i_a_9i:Cs-I-In-O +mp-1046866,Nb2VZn2O8,-8.0184613346,-2.5277295608,0.0222465916,0.0222465916,GGA+U,C2/c,A2B8CD2_mC52_15_f_4f_e_f:Nb-O-V-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Nb-O-V-Zn, expected Nb2VZn2O10 to be Nb2VZn2O8" +mp-7580,Hg3(SF)2,-2.8842992179,-1.026170823,0.0,-0.0591711819,GGA,I2_13,A2B3C2_cI28_199_a_b_a:F-Hg-S,14.0,A2B3C2_cI28_199_a_b_a:F-Hg-S +mp-6820,Cu2Hg2SF6,-3.7906715295,-1.5714808257,0.0,-0.0193137731,GGA,Fd-3m,A2B6C2D_cF88_227_d_f_c_a:Cu-F-Hg-S,22.0,A2B6C2D_cF88_227_d_f_c_a:Cu-F-Hg-S +mp-1193690,Ge7HO20,-5.8628006121,-1.0525257816,0.5745964811000001,0.5745964811000001,GGA,P-43m,A7BC20_cP28_215_ce_b_2ei:Ge-H-O,28.0,A7BC20_cP28_215_ce_b_2ei:Ge-H-O +mp-1224685,Ge7(H2O11)2,-5.8196197479,-1.1299454808,0.4254686539,0.4254686539,GGA,R3m,A7B4C22_hR99_160_a2b_ab_a5bc:Ge-H-O,33.0,"Invalid WP multiplicities - A7B4C22_hR99_160_a2b_ab_a6b3c:Ge-H-O, expected Ge7H4O37 to be Ge7(H2O11)2" +mp-1237991,Ge7(H2O11)2,-5.7737362964,-1.0840620293,0.4713521054,0.4713521054,GGA,R3m,A7B4C22_hR99_160_a2b_ab_a5bc:Ge-H-O,33.0,"Invalid WP multiplicities - A7B4C22_hR99_160_a2b_ab_a6b3c:Ge-H-O, expected Ge7H4O37 to be Ge7(H2O11)2" +mp-23884,SrGe(HO2)2,-6.3014495775,-2.1908585471,0.0052027349,0.0052027349,GGA,I-42d,AB2C4D_tI32_122_a_d_e_b:Ge-H-O-Sr,16.0,AB2C4D_tI32_122_a_d_e_b:Ge-H-O-Sr +mp-627418,Ge7H18O23,-5.8553704077,-1.5386182378000002,0.0916276137,0.0916276137,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-627442,Ge7H18O23,-5.8726823617,-1.5559301918,0.0743156598,0.0743156598,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-1181404,Ge7H18O23,-5.8747567587,-1.5580045889,0.0722412627,0.0722412627,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-1181562,Ge7H18O23,-5.8570327402,-1.5402805703,0.0899652812,0.0899652812,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-1181734,Ge7H18O23,-5.8939501142,-1.5771979443,0.0530479073,0.0530479073,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-1181858,Ge7H18O23,-5.8764045615,-1.5596523916,0.07059346,0.07059346,GGA,P1,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O,48.0,A7B18C23_aP48_1_7a_18a_23a:Ge-H-O +mp-8684,Cs2VAgS4,-5.0159025963,-1.2342693106,0.0,-0.0628352399,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-Cs-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-Cs-S-V +mp-1046702,MgCrSF5,-5.83918489,-2.720788362,0.2361416515,0.2361416515,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-Mg-S,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-Mg-S +mp-1323771,MgCrSF5,-2.983652905,0.134743623,3.0916736365,3.0916736365,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-Mg-S,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Cr-F-Mg-S +mp-1211958,Sr3Gd2(BO3)4,-9.0310887017,-3.3502050608,0.016784609,0.016784609,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Gd-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Gd-O-Sr +mp-1213149,CsYb(WO4)2,-8.047199755,-2.3868013548,0.0,-0.0010722077,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Cs-O-W-Yb,,AB8C2D_mP24_13_e_4g_g_f:Cs-O-W-Yb +mp-1213160,CsYb(WO4)2,-8.0438276583,-2.3834292582,0.0033720967,0.002299889,GGA+U,C2/c,AB8C2D_mC48_15_e_4f_f_e:Cs-O-W-Yb,,AB8C2D_mC48_15_e_4f_f_e:Cs-O-W-Yb +mp-1210659,Mg3B7BrO13,-7.7856554831,-2.8932986447,0.0,-0.0083265174,GGA,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Mg-O,48.0,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Mg-O +mp-13002,K2SiF6,-5.5509880111,-3.4271002634,0.0048175311,-0.0661130456,GGA,P6_3mc,A6B2C_hP18_186_2c_ab_b:F-K-Si,18.0,A6B2C_hP18_186_2c_ab_b:F-K-Si +mp-3042,K2SiF6,-5.5558055422,-3.4319177946,0.0,-0.0709305767,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-K-Si,9.0,A6B2C_cF36_225_e_c_a:F-K-Si +mp-1223349,KRb2SiF7,-5.3191034605,-3.3302727428,0.0130392077,0.0130392077,GGA,Cmmm,A7BC2D_oC44_65_fgino_h_ej_ab:F-K-Rb-Si,22.0,"Invalid WP multiplicities - A7BC2D_oC44_65_fgi2n2o_h_ej_ab:F-K-Rb-Si, expected KRb2SiF11 to be KRb2SiF7" +mp-13859,K3SiF7,-5.3476369986,-3.3351944856,0.0065419868,0.0065419868,GGA,P4/mbm,A7B3C_tP22_127_ahk_bg_c:F-K-Si,22.0,A7B3C_tP22_127_ahk_bg_c:F-K-Si +mp-680370,CsPuP2S7,-6.1249007143,-1.1299011885,0.0,-0.0472057848,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Cs-P-Pu-S,44.0,"Invalid WP multiplicities - AB2CD7_mP44_14_e_6e_e_24e:Cs-P-Pu-S, expected CsPu(PS4)6 to be CsPuP2S7" +mp-861511,PuP3,-8.17475987,-0.5478234075,0.0490047758,0.0490047758,GGA,P6_3/mmc,A3B_hP8_194_h_c:P-Pu,8.0,A3B_hP8_194_h_c:P-Pu +mp-926,PuP,-11.034226785,-1.1936563667,0.0,-0.8284407617,GGA,Fm-3m,AB_cF8_225_a_b:P-Pu,2.0,AB_cF8_225_a_b:P-Pu +mp-1188106,Ca2PdWO6,-7.403858221,-2.2209238142,0.3011150058,0.3011150058,GGA+U,Pmm2,A2B6CD_oP20_25_ef_ef2g2h_ad_bc:Ca-O-Pd-W,20.0,A2B6CD_oP20_25_ef_ef2g2h_ad_bc:Ca-O-Pd-W +mp-20810,Ca2PdWO6,-7.40516123,-2.2222268232,0.2998119968,0.2998119968,GGA+U,Imm2,A2B6CD_oI20_44_c_c2d_a_b:Ca-O-Pd-W,10.0,A2B6CD_oI20_44_c_c2d_a_b:Ca-O-Pd-W +mp-19159,Ca2PdWO6,-7.364830481,-2.1818960742,0.3401427458,0.3401427458,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Pd-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Pd-W +mp-1216458,Y4ZrMn5O15,-9.204809562,-3.0278498735,0.021812834,0.021812834,GGA+U,P1,A5B15C4D_aP50_1_10a_30a_8a_2a:Mn-O-Y-Zr,50.0,A5B15C4D_aP50_1_10a_30a_8a_2a:Mn-O-Y-Zr +mp-1343591,Y2Mn3O9,-8.4592705711,-2.3921858208,0.2554028087,0.2554028087,GGA+U,Cmc2_1,A3B9C2_oC56_36_3a_9a_2a:Mn-O-Y,28.0,"Invalid WP multiplicities - A3B9C2_oC56_36_5a_16a_4a:Mn-O-Y, expected Y4Mn5O16 to be Y2Mn3O9" +mp-1350656,Y2Mn3O9,-8.5938905677,-2.5268058174,0.1207828121,0.1207828121,GGA+U,Pnma,A3B9C2_oP56_62_ad_3c3d_2c:Mn-O-Y,56.0,"Invalid WP multiplicities - A3B9C2_oP56_62_4a4d_11c22d_7c:Mn-O-Y, expected Y7Mn12O55 to be Y2Mn3O9" +mp-1336972,Y2Mn3O9,-8.4273196918,-2.3602349415,0.287353688,0.287353688,GGA+U,P6_3,A3B9C2_hP28_173_c_a2b2c_ab:Mn-O-Y,28.0,A3B9C2_hP28_173_c_a2b2c_ab:Mn-O-Y +mp-754980,ZrMnO3,-9.56466298,-3.0547065688,0.025915059,0.025915059,GGA+U,R-3,AB3C_hR30_148_c_f_c:Mn-O-Zr,10.0,AB3C_hR30_148_c_f_c:Mn-O-Zr +mp-754513,ZrMnO3,-9.569091926,-3.0591355148,0.021486113,0.021486113,GGA+U,R3c,AB3C_hR30_161_a_b_a:Mn-O-Zr,10.0,AB3C_hR30_161_a_b_a:Mn-O-Zr +mp-1045475,YMn2O4,-9.0101510964,-2.6419715904,0.0928232402,0.0928232402,GGA+U,C2/c,A2B4C_mC28_15_ae_2f_c:Mn-O-Y,14.0,"Invalid WP multiplicities - A2B4C_mC28_15_2a2e_2f_c:Mn-O-Y, expected YMn4O4 to be YMn2O4" +mp-1385844,YMn2O4,-8.9307565164,-2.5625770104,0.1722178202,0.1722178202,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Mn-O-Y,14.0,A2B4C_tI28_88_c_f_b:Mn-O-Y +mp-1385591,YMn2O4,-8.9633013957,-2.5951218896,0.139672941,0.139672941,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Mn-O-Y,14.0,"Invalid WP multiplicities - A2B4C_hR42_166_a2d_2c2h_c:Mn-O-Y, expected Y2Mn7O16 to be YMn2O4" +mp-20699,YMnO3,-9.1073859565,-3.0136754487,0.0230952568,-0.0059271931,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Mn-O-Y,20.0,AB3C_oP20_62_a_cd_c:Mn-O-Y +mp-19385,YMnO3,-9.1304812133,-3.0367707055,0.0,-0.0290224499,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Mn-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Mn-O-Y +mp-19227,YMnO3,-9.109891136,-3.0161806282,0.0205900773,-0.0084323726,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Mn-O-Y,10.0,AB3C_hP10_194_c_bf_a:Mn-O-Y +mp-1434307,YMnO3,-8.80542923,-2.7117187222,0.3250519833,0.2960295334,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Mn-O-Y,5.0,AB3C_cP5_221_b_c_a:Mn-O-Y +mp-1045064,YMn3O6,-8.7393924915,-2.3761275658,0.1569087032,0.1569087032,GGA+U,C2/m,A3B6C_mC80_12_ade2ij_6i3j_2i:Mn-O-Y,40.0,"Invalid WP multiplicities - A3B6C_mC80_12_ac2e2i2j_12i12j_4i:Mn-O-Y, expected Y4Mn9O36 to be YMn3O6" +mp-18831,Y2Mn2O7,-8.8663636541,-2.876927855,0.0,-0.0543708889,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Mn-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Mn-O-Y +mp-763464,Zr4MnO9,-9.7885054036,-3.5118613883,0.0405173043,0.0405173043,GGA+U,P1,AB9C4_aP14_1_a_9a_4a:Mn-O-Zr,56.0,AB9C4_aP14_1_a_9a_4a:Mn-O-Zr +mp-510598,YMn2O5,-8.8303579059,-2.6398647492,0.0,-0.0323883427,GGA+U,Pbam,A2B5C_oP32_55_eg_fghi_h:Mn-O-Y,32.0,A2B5C_oP32_55_eg_fghi_h:Mn-O-Y +mp-758875,CrOF,-8.0732771196,-2.5695387367,0.0975673776,0.0975673776,GGA+U,P2_1/m,ABC_mP24_11_4e_4e_4e:Cr-F-O,24.0,ABC_mP24_11_7e_7e_7e:Cr-F-O +mp-753963,CrOF,-8.094454517500001,-2.5907161346,0.0763899797,0.0763899797,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:Cr-F-O,12.0,ABC_mP12_14_e_e_e:Cr-F-O +mp-752944,CrOF,-8.1570851583,-2.6533467754,0.0137593389,0.0137593389,GGA+U,Pmmn,ABC_oP6_59_b_a_a:Cr-F-O,12.0,ABC_oP6_59_b_a_a:Cr-F-O +mp-753484,CrOF,-8.0590103517,-2.5552719688,0.1118341456,0.1118341456,GGA+U,Pnma,ABC_oP12_62_c_c_c:Cr-F-O,12.0,ABC_oP12_62_c_c_c:Cr-F-O +mp-758873,Cr2O5F2,-7.0304837417,-1.7124285826,0.1121876254,0.1121876254,GGA+U,P-42_1c,A2B2C5_tP36_114_e_e_d2e:Cr-F-O,36.0,"Invalid WP multiplicities - A2B2C5_tP36_114_e_e_2d14e:Cr-F-O, expected CrO15F to be Cr2O5F2" +mp-756902,Cr4(OF3)3,-6.9889762069,-2.5730032868,0.097881567,0.097881567,GGA+U,P1,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O,16.0,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O +mp-807511,Cr4(OF3)3,-4.1680842125,0.2478887076,2.9187735614,2.9187735614,GGA+U,P1,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O,16.0,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O +mp-1385968,Cr4(OF3)3,-5.5385069244,-1.1225340043,1.5483508495,1.5483508495,GGA+U,P1,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O,16.0,A4B9C3_aP16_1_4a_9a_3a:Cr-F-O +mp-753915,Cr4OF6,-6.8921909673,-1.8896680222,0.7799481294,0.7799481294,GGA+U,P4_2/nmc,A4B6C_tP22_137_g_df_a:Cr-F-O,22.0,"Invalid WP multiplicities - A4B6C_tP22_137_g_2d3f_a:Cr-F-O, expected Cr4OF16 to be Cr4OF6" +mp-760196,CrOF4,-5.7726353454,-2.0650266702,0.1088475098,0.1088475098,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cr-F-O,48.0,"Invalid WP multiplicities - AB4C_mP48_14_7e_19e_3e:Cr-F-O, expected Cr7O3F19 to be CrOF4" +mp-760228,CrOF4,-5.7752861217,-2.0676774465,0.1061967335,0.1061967335,GGA+U,C2/c,AB4C_mC96_15_2f_8f_2f:Cr-F-O,48.0,"Invalid WP multiplicities - AB4C_mC96_15_7f_29f_7f:Cr-F-O, expected Cr7O7F29 to be CrOF4" +mp-774379,Cr4OF11,-6.9186218912,-2.8820501891,0.0361113125,0.0361113125,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-849558,Cr4OF11,-6.9186419772,-2.8820702751,0.0360912266,0.0360912266,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-780466,Cr4OF11,-6.9185464306,-2.8819747285,0.0361867732,0.0361867732,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-849606,Cr4OF11,-6.9187247912,-2.8821530891,0.0360084125,0.0360084125,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-779363,Cr4OF11,-6.9183584769,-2.8817867748,0.0363747269,0.0363747269,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-760946,Cr4OF11,-6.9183994559,-2.8818277538,0.0363337478,0.0363337478,GGA+U,P1,A4B11C_aP32_1_8a_22a_2a:Cr-F-O,32.0,A4B11C_aP32_1_8a_22a_2a:Cr-F-O +mp-763985,Cr4OF11,-6.9172354363,-2.8806637341,0.0374977675,0.0374977675,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Cr-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Cr-F-O +mp-755284,Cr4OF11,-6.91873351,-2.8821618079,0.0359996938,0.0359996938,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Cr-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Cr-F-O +mp-807503,Cr4OF11,-4.3799661063,-0.3433944041,2.5747670975,2.5747670975,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Cr-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Cr-F-O +mp-1390750,Cr4OF11,-5.7025589738,-1.6659872716000002,1.25217423,1.25217423,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Cr-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Cr-F-O +mp-754243,Cr4OF11,-6.9189200556,-2.8823483535000003,0.0358131482,0.0358131482,GGA+U,C2,A4B11C_mC32_5_2c_a5c_b:Cr-F-O,16.0,"Invalid WP multiplicities - A4B11C_mC32_5_2c_a8c_b:Cr-F-O, expected Cr4OF17 to be Cr4OF11" +mp-1277718,Cr4OF11,-6.9143008069,-2.8777291048,0.0404323969,0.0404323969,GGA+U,P1,A4B11C_aP16_1_4a_11a_a:Cr-F-O,16.0,A4B11C_aP16_1_4a_11a_a:Cr-F-O +mp-759610,Cr4OF11,-6.9188679844,-2.8822962823,0.0358652194,0.0358652194,GGA+U,P-1,A4B11C_aP32_2_bc3i_11i_i:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_aP32_2_bc5i_21i_i:Cr-F-O, expected Cr6OF21 to be Cr4OF11" +mp-759654,Cr4OF11,-6.9188067725,-2.8822350704,0.0359264313,0.0359264313,GGA+U,P-1,A4B11C_aP32_2_be3i_11i_i:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_aP32_2_be5i_22i_i:Cr-F-O, expected Cr6OF22 to be Cr4OF11" +mp-776505,Cr4OF11,-6.9189688775,-2.8823971754,0.0357643263,0.0357643263,GGA+U,P-1,A4B11C_aP32_2_bc3i_11i_i:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_aP32_2_bc5i_21i_i:Cr-F-O, expected Cr6OF21 to be Cr4OF11" +mp-755067,Cr4OF11,-6.9176433294,-2.8810716273,0.0370898744,0.0370898744,GGA+U,P2,A4B11C_mP16_3_2e_abc4e_d:Cr-F-O,16.0,A4B11C_mP16_3_2e_abc4e_d:Cr-F-O +mp-779605,Cr4OF11,-6.9180285909,-2.8814568888,0.0367046128,0.0367046128,GGA+U,C2,A4B11C_mC64_5_4c_ab10c_c:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_mC64_5_7c_ab16c_c:Cr-F-O, expected Cr7OF17 to be Cr4OF11" +mp-759366,Cr4OF11,-6.9187155053,-2.8821438032,0.0360176985,0.0360176985,GGA+U,C2,A4B11C_mC64_5_4c_ab10c_c:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_mC64_5_8c_ab19c_c:Cr-F-O, expected Cr8OF20 to be Cr4OF11" +mp-761054,Cr4OF11,-6.9162818712,-2.8797101691,0.0384513325,0.0384513325,GGA+U,C2,A4B11C_mC64_5_4c_ab10c_c:Cr-F-O,32.0,"Invalid WP multiplicities - A4B11C_mC64_5_8c_ab18c_c:Cr-F-O, expected Cr8OF19 to be Cr4OF11" +mp-1226389,Cr(OF)3,-5.8165440243,-1.4983225234,0.2398488055,0.2398488055,GGA+U,P1,AB3C3_aP7_1_a_3a_3a:Cr-F-O,7.0,AB3C3_aP7_1_a_3a_3a:Cr-F-O +mp-1443279,Cr(OF)3,-3.0560471043,1.2621743966,3.0003457255,3.0003457255,GGA+U,P1,AB3C3_aP7_1_a_3a_3a:Cr-F-O,7.0,AB3C3_aP7_1_a_3a_3a:Cr-F-O +mp-759857,Cr3(OF)2,-8.3118453775,-2.2153485536,0.1224468692,0.1224468692,GGA+U,P2_1/c,A3B2C2_mP56_14_6e_4e_4e:Cr-F-O,56.0,"Invalid WP multiplicities - A3B2C2_mP56_14_21e_15e_13e:Cr-F-O, expected Cr21O13F15 to be Cr3(OF)2" +mp-753311,Cr3(OF)2,-8.3520960443,-2.2555992204,0.0821962024,0.0821962024,GGA+U,P2_1/c,A3B2C2_mP14_14_ae_e_e:Cr-F-O,14.0,"Invalid WP multiplicities - A3B2C2_mP14_14_a2e_e_e:Cr-F-O, expected Cr5(OF)2 to be Cr3(OF)2" +mp-1233859,CaCr6(OF)4,-7.9084235107,-2.0846531497,0.3822103502,0.3822103502,GGA+U,P1,AB6C4D4_aP15_1_a_6a_4a_4a:Ca-Cr-F-O,15.0,AB6C4D4_aP15_1_a_6a_4a_4a:Ca-Cr-F-O +mp-31703,CrOF3,-6.3080785555,-2.2412439388,0.1921959218,0.1921959218,GGA+U,P4_1,AB3C_tP20_76_a_3a_a:Cr-F-O,20.0,"Invalid WP multiplicities - AB3C_tP20_76_a_10a_a:Cr-F-O, expected CrOF10 to be CrOF3" +mp-606313,Cr(OF)2,-6.524605026,-1.8507284605,0.1870687634,0.1870687634,GGA+U,P2_1/c,AB2C2_mP20_14_e_2e_2e:Cr-F-O,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_4e_2e:Cr-F-O, expected Cr(OF2)2 to be Cr(OF)2" +mp-754067,Cr2OF2,-8.012985839,-2.3978375218,0.0859590217,0.0859590217,GGA+U,Fddd,A2B2C_oF40_70_c_e_a:Cr-F-O,10.0,A2B2C_oF40_70_c_e_a:Cr-F-O +mp-760395,Cr2OF2,-8.010514767,-2.3953664498,0.0884300937,0.0884300937,GGA+U,I4_1/amd,A2B2C_tI20_141_c_e_a:Cr-F-O,10.0,A2B2C_tI20_141_c_e_a:Cr-F-O +mp-1182767,BaU11(GeO19)2,-9.6205840167,-3.4024164824,0.0445896243,0.0445896243,GGA,P-31c,AB2C38D11_hP104_163_c_e_ab6i_fhi:Ba-Ge-O-U,104.0,AB2C38D11_hP104_163_c_e_ab6i_fhi:Ba-Ge-O-U +mp-1206032,Ba2UGeO6,-7.997752174,-3.0545001728,0.1469188366,0.1469188366,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ge-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ge-O-U +mp-1211101,NbNi11(BO5)4,-7.399384455,-1.8623247375,0.0,-0.0048566999999999,GGA+U,C2/c,A4BC11D20_mC144_15_2f_e_ace4f_10f:B-Nb-Ni-O,72.0,A4BC11D20_mC144_15_2f_e_ace4f_10f:B-Nb-Ni-O +mp-21600,NbNi2BO6,-8.099561877,-2.2974516332,0.0,-0.0127307685,GGA+U,Pnma,ABC2D6_oP40_62_c_c_d_2c2d:B-Nb-Ni-O,40.0,ABC2D6_oP40_62_c_c_d_2c2d:B-Nb-Ni-O +mp-1191596,ErPS,-6.4218123679,-1.7159886401,0.0,-0.0437773877,GGA,Pnma,ABC_oP24_62_2c_d_2c:Er-P-S,24.0,ABC_oP24_62_2c_d_2c:Er-P-S +mp-5036,ErPS4,-5.7674089735,-1.3462721762,0.0,-0.057312592,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Er-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_ab_e_3g:Er-P-S, expected ErPS6 to be ErPS4" +mp-583084,Rb3Er3(PS4)4,-5.3927046238,-1.3741982183,0.0,-0.0427722654,GGA,P2_1/c,A3B4C3D16_mP104_14_3e_4e_3e_16e:Er-P-Rb-S,104.0,"Invalid WP multiplicities - A3B4C3D16_mP104_14_12e_13e_10e_62e:Er-P-Rb-S, expected Rb10Er12P13S62 to be Rb3Er3(PS4)4" +mp-1213879,Ce2ZnP2O,-5.2406017133,-0.4240657726,1.4043516742,1.4043516742,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Ce-O-P-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:Ce-O-P-Zn +mp-1206222,CeZn2PO2,-4.7922046667,-0.8323286160000001,1.2216813929,1.2216813929,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Ce-O-P-Zn,6.0,AB2CD2_tP6_123_a_g_b_g:Ce-O-P-Zn +mp-13207,CeZnPO,-6.3805245188,-1.992318523,0.0,-0.0468668432,GGA,R-3m,ABCD_hR24_166_c_c_c_c:Ce-O-P-Zn,8.0,ABCD_hR24_166_c_c_c_c:Ce-O-P-Zn +mp-619791,La5C2Cl9,-6.0369540644,-2.3010667863,0.0,-0.0125518506,GGA,P-1,A2B9C5_aP32_2_2i_bd8i_5i:C-Cl-La,32.0,"Invalid WP multiplicities - A2B9C5_aP32_2_3i_bd13i_8i:C-Cl-La, expected La8C3Cl14 to be La5C2Cl9" +mp-568190,La8C8Cl5,-7.0229612079,-1.1867676802,0.04125548,0.04125548,GGA,P2_1/c,A8B5C8_mP42_14_4e_a2e_4e:C-Cl-La,42.0,"Invalid WP multiplicities - A8B5C8_mP42_14_10e_2a5e_14e:C-Cl-La, expected La7C5Cl3 to be La8C8Cl5" +mp-568090,LaBC,-7.3220400577,-0.3740186016,0.0,-0.0092643893,GGA,P2_12_12_1,ABC_oP60_19_5a_5a_5a:B-C-La,60.0,"Invalid WP multiplicities - ABC_oP60_19_17a_17a_18a:B-C-La, expected La18(BC)17 to be LaBC" +mp-567694,La2C2Cl,-7.099435328,-1.063858957,0.0,-0.011369762,GGA,C2/c,A2BC2_mC20_15_f_e_f:C-Cl-La,10.0,A2BC2_mC20_15_f_e_f:C-Cl-La +mp-647035,La4C5Cl2,-7.2652465914,-0.9393893911,0.0339566336,0.0339566336,GGA,P-1,A5B2C4_aP22_2_5i_2i_4i:C-Cl-La,22.0,"Invalid WP multiplicities - A5B2C4_mC44_12_8i_2i_7i:C-Cl-La, expected La7(C4Cl)2 to be La4C5Cl2" +mp-667192,La4C5Cl2,-7.2716001695,-0.9457429693,0.0276030554,0.0276030554,GGA,C2/m,A5B2C4_mC44_12_5i_2i_4i:C-Cl-La,22.0,A5B2C4_mC44_12_5i_2i_4i:C-Cl-La +mp-679949,La15B14C19,-7.4791990561,-0.3355274786,0.0177954298,0.0177954298,GGA,P2_1/c,A14B19C15_mP96_14_7e_a9e_d7e:B-C-La,96.0,"Invalid WP multiplicities - A14B19C15_mP96_14_24e_2a34e_2d24e:B-C-La, expected La25B24C35 to be La15B14C19" +mp-10852,La(BC)2,-7.788129381,-0.4377050547,0.0,-0.0998237909,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-La,10.0,A2B2C_tP10_127_g_g_b:B-C-La +mp-7783,La(BC)2,-7.664476389,-0.3140520627,0.123652992,0.0238292011,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-La,10.0,A2B2C_tP10_131_j_l_f:B-C-La +mp-29404,La2CCl,-6.42145435,-1.1841502594,0.004483821,0.004483821,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Cl-La,4.0,ABC2_hR12_166_a_b_c:C-Cl-La +mp-570942,La3C3Cl2,-6.9914328116,-1.2175464225,0.0528202344,0.0528202344,GGA,P2_1/c,A3B2C3_mP32_14_3e_2e_3e:C-Cl-La,32.0,"Invalid WP multiplicities - A3B2C3_mP32_14_10e_7e_9e:C-Cl-La, expected La9C10Cl7 to be La3C3Cl2" +mp-570357,La10(B3C4)3,-7.4336624392,-0.3298371844,0.0208456471,0.0208456471,GGA,P4_12_12,A9B12C10_tP124_92_a4b_6b_5b:B-C-La,124.0,"Invalid WP multiplicities - A9B12C10_tP124_92_3a30b_41b_32b:B-C-La, expected La64B63C82 to be La10(B3C4)3" +mp-571437,La20C20Cl13,-7.0008259475,-1.2022518243,0.0540414673,0.0540414673,GGA,P2_1/c,A20B13C20_mP106_14_10e_a6e_10e:C-Cl-La,106.0,"Invalid WP multiplicities - A20B13C20_mP106_14_40e_2a24e_38e:C-Cl-La, expected La38(C8Cl5)5 to be La20C20Cl13" +mp-571135,La3BCCl3,-6.2127203744,-1.6800093046,0.0111427153,0.0111427153,GGA,P2_1/m,ABC3D3_mP16_11_e_e_3e_3e:B-C-Cl-La,16.0,"Invalid WP multiplicities - ABC3D3_mP16_11_e_e_4e_6e:B-C-Cl-La, expected La6BCCl4 to be La3BCCl3" +mp-569894,La4B4Cl5,-6.0228788077,-1.7379342844,0.0,-0.0503194192,GGA,C2/m,A4B5C4_mC26_12_hi_a2i_2i:B-Cl-La,13.0,"Invalid WP multiplicities - A4B5C4_mC26_12_2h2i_a3i_3i:B-Cl-La, expected La6B8Cl7 to be La4B4Cl5" +mp-569637,La4C2Cl5,-6.2851466982,-1.9720519068,0.0,-0.0470411772,GGA,Immm,A2B5C4_oI22_71_e_cn_eg:C-Cl-La,11.0,"Invalid WP multiplicities - A2B5C4_oI22_71_e_c2n_2e2g:C-Cl-La, expected La8C2Cl9 to be La4C2Cl5" +mp-570240,La14C14Cl9,-7.0594574122,-1.250207512,0.0,-0.0446836085,GGA,Pc,A14B9C14_mP74_7_14a_9a_14a:C-Cl-La,74.0,A14B9C14_mP74_7_28a_18a_28a:C-Cl-La +mp-571523,La11C11Cl7,-7.0087157635,-1.1897104121,0.0524648347,0.0524648347,GGA,P2_1/c,A11B7C11_mP116_14_11e_7e_11e:C-Cl-La,116.0,"Invalid WP multiplicities - A11B7C11_mP116_14_44e_25e_41e:C-Cl-La, expected La41C44Cl25 to be La11C11Cl7" +mp-754289,Mn2Hg2O7,-6.0372702445,-1.1683418543,0.0493696619,0.0493696619,GGA+U,Fd-3m,A2B2C7_cF88_227_c_d_af:Hg-Mn-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Hg-Mn-O, expected MnHgO10 to be Mn2Hg2O7" +mp-1104744,Hg(CO2)2,-6.7735850036,-1.2667612614,0.2506763943,0.2506763943,GGA,P2_1,A2BC4_mP14_4_2a_a_4a:C-Hg-O,14.0,"Invalid WP multiplicities - A2BC4_mP14_14_e_a_3e:C-Hg-O, expected Hg(CO3)2 to be Hg(CO2)2" +mp-4249,Hg(CO2)2,-6.7741931614,-1.2673694193,0.2500682364,0.2500682364,GGA,P2_1/c,A2BC4_mP14_14_e_a_2e:C-Hg-O,14.0,A2BC4_mP14_14_e_a_2e:C-Hg-O +mp-1176488,Mn2HgO4,-7.1007456793,-1.6129648516,0.0085772956,0.0085772956,GGA+U,I4_1/amd,AB2C4_tI28_141_a_d_h:Hg-Mn-O,14.0,AB2C4_tI28_141_a_d_h:Hg-Mn-O +mp-648164,Mn2Hg(CO)10,-7.7390374091,-0.7659394532,0.5716335043,0.5716335043,GGA+U,P-1,A10BC2D10_aP23_2_5i_a_i_5i:C-Hg-Mn-O,23.0,"Invalid WP multiplicities - A10BC2D10_aP23_2_10i_a_i_8i:C-Hg-Mn-O, expected Mn2Hg(C5O4)4 to be Mn2Hg(CO)10" +mp-836207,Mn2Hg(CO)10,-7.7436117593,-0.7705138034,0.5670591541000001,0.5670591541000001,GGA+U,P2_1/c,A10BC2D10_mP46_14_5e_a_e_5e:C-Hg-Mn-O,46.0,A10BC2D10_mP46_14_5e_a_e_5e:C-Hg-Mn-O +mp-1080187,MnHgO3,-5.907926472,-1.0467741138,0.292708554,0.292708554,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:Hg-Mn-O,5.0,ABC3_cP5_221_a_b_c:Hg-Mn-O +mp-10300,ZrMoP,-9.2522558067,-0.9833713911,0.0,-0.0673023892,GGA,P-62m,ABC_hP9_189_f_bc_g:Mo-P-Zr,9.0,ABC_hP9_189_f_bc_g:Mo-P-Zr +mp-1216188,Zr37Mo15P4,-9.19762419,-0.2582869581,0.0440437135,0.0440437135,GGA,P-3m1,A15B4C37_hP56_164_ac2i_2d_b6i:Mo-P-Zr,56.0,"Invalid WP multiplicities - A15B4C37_hP56_164_ac12i_4d_b36i:Mo-P-Zr, expected Zr217Mo75P8 to be Zr37Mo15P4" +mp-12540,Zr2Mo(PO6)2,-8.7725254651,-3.0002948229,0.0,-0.0249009539,GGA+U,Pbcn,AB12C2D2_oP68_60_c_6d_d_d:Mo-O-P-Zr,68.0,"Invalid WP multiplicities - AB12C2D2_oP68_60_c_7d_d_d:Mo-O-P-Zr, expected Zr2Mo(PO7)2 to be Zr2Mo(PO6)2" +mp-758957,As2HPbF13,-4.8531361471,-2.4253222352,0.0,-0.022459353,GGA,Pbcn,A2B13CD_oP136_60_2cd_2c12d_d_d:As-F-H-Pb,136.0,"Invalid WP multiplicities - A2B13CD_oP136_60_6c2d_7c46d_d_d:As-F-H-Pb, expected As10H2Pb2F99 to be As2HPbF13" +mp-1111021,Cs2KPrF6,-5.435718426,-3.5206201009,0.0018116845,0.0018116845,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Pr +mp-18799,YbVO4,-7.7174523542,-2.649074155,0.0031167939,0.0031167939,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-V-Yb,,A4BC_tI24_141_h_a_b:O-V-Yb +mp-1207834,YbV2O2,-7.009256908,-1.0890973395,1.2164621675,1.2164621675,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:O-V-Yb,,A2B2C_tI40_141_h_h_c:O-V-Yb +mp-1199587,Yb2VO5,-7.5867995253,-2.974728752,0.0,-0.0779982543,GGA+U,C2/c,A5BC2_mC64_15_5f_f_2f:O-V-Yb,,A5BC2_mC64_15_5f_f_2f:O-V-Yb +mp-690170,YbV4O8,-8.5337034758,-2.5761079181,0.1858443106,0.1759331323,GGA+U,P-1,A8B4C_aP26_2_8i_4i_i:O-V-Yb,,"Invalid WP multiplicities - A8B4C_aP26_2_15i_7i_i:O-V-Yb, expected YbV7O15 to be YbV4O8" +mp-1100852,YbV4O8,-8.5682428069,-2.6106472492,0.1513049794,0.1413938012,GGA+U,P-1,A8B4C_aP26_2_8i_4i_i:O-V-Yb,,"Invalid WP multiplicities - A8B4C_aP26_2_15i_7i_i:O-V-Yb, expected YbV7O15 to be YbV4O8" +mp-1100901,YbV4O8,-8.4728520542,-2.5152564965,0.2466957321,0.2367845538,GGA+U,P-1,A8B4C_aP26_2_8i_4i_i:O-V-Yb,,"Invalid WP multiplicities - A8B4C_aP26_2_15i_7i_i:O-V-Yb, expected YbV7O15 to be YbV4O8" +mp-675382,YbV4O8,-8.2986302915,-2.3410347338,0.4209174948,0.4110063165,GGA+U,P-1,A8B4C_aP26_2_8i_4i_i:O-V-Yb,,"Invalid WP multiplicities - A8B4C_aP26_2_15i_7i_i:O-V-Yb, expected YbV7O15 to be YbV4O8" +mp-1100842,YbV4O8,-8.433343915,-2.4757483573,0.2862038713,0.2762926931,GGA+U,P2_1,A8B4C_mP26_4_8a_4a_a:O-V-Yb,,"Invalid WP multiplicities - A8B4C_mP26_4_16a_7a_a:O-V-Yb, expected YbV7O16 to be YbV4O8" +mp-1100837,YbV4O8,-8.3792323104,-2.4216367527,0.340315476,0.3304042977,GGA+U,Pc,A8B4C_mP26_7_8a_4a_a:O-V-Yb,,"Invalid WP multiplicities - A8B4C_mP26_7_16a_8a_a:O-V-Yb, expected YbV8O16 to be YbV4O8" +mp-1215841,YbV4O8,-8.664258609200001,-2.7066630515,0.0552891771,0.0453779988,GGA+U,P2_1/m,A8B4C_mP26_11_8e_4e_e:O-V-Yb,,A8B4C_mP26_11_8e_4e_e:O-V-Yb +mp-735715,YbV4O8,-8.7195477863,-2.7619522287,0.0,-0.0099111783,GGA+U,P2_1/c,A8B4C_mP52_14_8e_4e_e:O-V-Yb,,A8B4C_mP52_14_8e_4e_e:O-V-Yb +mp-18801,YbV4O8,-8.71689337,-2.7592978123,0.0026544163,-0.0072567619,GGA+U,P2_1/c,A8B4C_mP52_14_8e_4e_e:O-V-Yb,,"Invalid WP multiplicities - A8B4C_mP52_14_11e_7e_e:O-V-Yb, expected YbV7O11 to be YbV4O8" +mp-1196657,YbV4O8,-8.7143347844,-2.7567392267,0.0052130019,-0.0046981763,GGA+U,P2_1/c,A8B4C_mP52_14_8e_4e_e:O-V-Yb,,A8B4C_mP52_14_8e_4e_e:O-V-Yb +mp-18797,Yb2V2O7,-7.9727400968,-2.8932992169,0.0,-0.0203299144,GGA+U,Fd-3m,A7B2C2_cF88_227_af_d_c:O-V-Yb,,A7B2C2_cF88_227_af_d_c:O-V-Yb +mp-560124,Sr9YbV7O28,-7.8666665108,-3.0035626049,0.0,-0.0238620704,GGA+U,R3c,A28B9C7D_hR270_161_a9b_3b_a2b_a:O-Sr-V-Yb,,"Invalid WP multiplicities - A28B9C7D_hR270_161_2a50b_15b_a8b_a:O-Sr-V-Yb, expected Sr45YbV25O152 to be Sr9YbV7O28" +mp-703673,YbVO3,-8.210997373,-3.1182812763,0.0,-0.1344891021,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-V-Yb,,"Invalid WP multiplicities - A3BC_oP20_62_2c3d_a_c:O-V-Yb, expected YbVO8 to be YbVO3" +mp-1207521,YbVO2,-8.0111723269,-2.8819493838,0.0,-0.0103951993,GGA+U,Fd-3m,A2BC_cF64_227_e_c_d:O-V-Yb,,A2BC_cF64_227_e_c_d:O-V-Yb +mp-1100843,YbV8O16,-8.4985677808,-2.364252732,0.2629018961,0.2629018961,GGA+U,Pm,A16B8C_mP25_6_8a8b_4a4b_a:O-V-Yb,,A16B8C_mP25_6_8a8b_4a4b_a:O-V-Yb +mp-1209985,Pr3VGeO9,-8.3854741016,-3.2019134165,0.0,-0.0651606655,GGA+U,P2_1/c,AB9C3D_mP56_14_e_9e_3e_e:Ge-O-Pr-V,56.0,AB9C3D_mP56_14_e_9e_3e_e:Ge-O-Pr-V +mp-978084,PrVGe3,-6.05246193,-0.5056828520000001,0.0135837887,0.0135837887,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ge-Pr-V,10.0,A3BC_hP10_194_h_c_a:Ge-Pr-V +mp-1112709,Cs2KSbI6,-2.888305816,-1.3012655129,0.045214521,0.045214521,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Sb +mp-1110581,Rb2VAuF6,-5.100218538,-2.521445536,0.247422317,0.247422317,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-V,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-Rb-V +mp-1223554,KAlNiF6,-5.6652990611,-3.2091895876,0.0,-0.0005185233,GGA+U,Imma,AB6CD_oI36_74_a_2ej_e_c:Al-F-K-Ni,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_e_c:Al-F-K-Ni, expected KAlNiF12 to be KAlNiF6" +mp-1072208,DyOF,-8.09571666,-4.2740651538,0.0,-0.0602706581,GGA,R-3m,ABC_hR18_166_c_c_c:Dy-F-O,6.0,ABC_hR18_166_c_c_c:Dy-F-O +mp-554213,DyMoO4F,-8.3078240996,-3.0005854193,0.0028061945,0.0028061945,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Dy-F-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:Dy-F-Mo-O, expected DyMoO13F to be DyMoO4F" +mp-1212082,K2ErSbO7,-6.0155660136,-1.8751715661,0.2502068973,0.2502068973,GGA,Imma,AB2C7D_oI44_74_c_ad_ehj_b:Er-K-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_c_ad_2e2hj_b:Er-K-O-Sb, expected K2ErSbO10 to be K2ErSbO7" +mp-973830,KErO3,-6.434016168,-2.3303793898,0.2558320527,0.2558320527,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Er-K-O,5.0,ABC3_cP5_221_b_a_c:Er-K-O +mp-7959,KErO2,-7.0367969175,-3.1439231226,0.0,-0.1396562075,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-K-O,4.0,ABC2_hR12_166_a_b_c:Er-K-O +mp-1208644,ThMn(N3O13)2,-6.4105784344,-0.6691446231,0.2906291147,0.2906291147,GGA+U,P2_1/c,AB6C26D_mP68_14_a_3e_13e_d:Mn-N-O-Th,68.0,AB6C26D_mP68_14_a_3e_13e_b:Mn-N-O-Th +mp-3923,Th2MnN3,-9.69436185,-1.5278257555,0.0,-0.0481172722,GGA,Immm,AB3C2_oI12_71_a_ce_e:Mn-N-Th,6.0,AB3C2_oI12_71_a_ce_e:Mn-N-Th +mp-556389,UTl2(TeO4)2,-6.8392067646,-2.0794515508,0.0030075756,-0.0206646483,GGA,P-1,A8B2C2D_aP26_2_8i_2i_2i_i:O-Te-Tl-U,26.0,"Invalid WP multiplicities - A8B2C2D_aP26_2_14i_2i_3i_i:O-Te-Tl-U, expected UTl3(TeO7)2 to be UTl2(TeO4)2" +mp-560464,UTl2(TeO4)2,-6.8422143402,-2.0824591263,0.0,-0.0236722238,GGA,P2_1/c,A8B2C2D_mP52_14_8e_2e_2e_e:O-Te-Tl-U,52.0,"Invalid WP multiplicities - A8B2C2D_mP52_14_31e_8e_5e_e:O-Te-Tl-U, expected UTl5Te8O31 to be UTl2(TeO4)2" +mp-21844,UTl3,-4.38242934,0.2124055225,0.2124055225,0.2124055225,GGA,Pm-3m,A3B_cP4_221_c_a:Tl-U,4.0,A3B_cP4_221_c_a:Tl-U +mp-1187749,UTl,-6.521671565,0.3053550133,0.3053550133,0.3053550133,GGA,P-6m2,AB_hP2_187_a_d:Tl-U,2.0,AB_hP2_187_a_d:Tl-U +mp-1025154,UTl2O4,-7.6427217886,-2.5279430531,0.0,-0.1116942507,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:O-Tl-U,7.0,A4B2C_tI14_139_ce_e_a:O-Tl-U +mp-865322,UTlO3,-8.640130126,-2.9413062679,0.0,-0.0172798108,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Tl-U,5.0,A3BC_cP5_221_c_a_b:O-Tl-U +mp-1245461,Cd4RuN4,-4.7738696878,0.3719015656,0.3719015656,0.3719015656,GGA,C2/m,A4B4C_mC36_12_gij_2ij_i:Cd-N-Ru,18.0,"Invalid WP multiplicities - A4B4C_mC36_12_gij_2i2j_i:Cd-N-Ru, expected Cd4RuN6 to be Cd4RuN4" +mp-568373,Cd2Ru(CN)6,-7.7079434447,0.059466193,0.1026799247,0.1026799247,GGA,P-31m,A6B2C6D_hP15_162_k_c_k_b:C-Cd-N-Ru,15.0,A6B2C6D_hP15_162_k_c_k_b:C-Cd-N-Ru +mp-1246213,Ru4CN4,-8.4787689219,0.373703895,0.373703895,0.373703895,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Ru,36.0,AB4C4_oP36_62_c_4c_4c:C-N-Ru +mp-1245675,Ru(CN)2,-8.620980338,0.259964337,0.259964337,0.259964337,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:C-N-Ru,40.0,A2B2C_oP40_61_2c_2c_c:C-N-Ru +mp-1245685,Ru(CN)2,-8.553101603,0.327843072,0.327843072,0.327843072,GGA,P4_2/mnm,A2B2C_tP10_136_f_f_a:C-N-Ru,10.0,A2B2C_tP10_136_f_f_a:C-N-Ru +mp-1246642,Ru(C2N3)3,-8.4005023166,0.3291757972,0.3291757972,0.3291757972,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Ru,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Ru +mp-1245858,RuCN2,-8.43138464,0.3626298306,0.3626298306,0.3626298306,GGA,R-3m,AB2C_hR12_166_a_c_b:C-N-Ru,4.0,AB2C_hR12_166_a_c_b:C-N-Ru +mp-1245843,RuCN2,-8.4424005562,0.3516139144,0.3516139144,0.3516139144,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:C-N-Ru,8.0,AB2C_hP8_194_c_f_a:C-N-Ru +mp-1246437,Ru2(CN2)3,-8.5105353318,0.2398074961,0.2398074961,0.2398074961,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Ru,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Ru +mp-1247359,Ru2(CN2)3,-8.5943405964,0.1560022316,0.1560022316,0.1560022316,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:C-N-Ru,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2e2f_12f_f:C-N-Ru, expected Ru(CN4)3 to be Ru2(CN2)3" +mp-1246365,Ru(C4N3)2,-8.6075706587,0.2672757433,0.2672757433,0.2672757433,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Ru,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Ru +mp-1245789,Ru(C4N3)2,-8.60484109,0.270005312,0.270005312,0.270005312,GGA,P-3m1,A8B6C_hP15_164_di_i_a:C-N-Ru,15.0,"Invalid WP multiplicities - A8B6C_hP15_164_2d2i_i_a:C-N-Ru, expected Ru(C8N3)2 to be Ru(C4N3)2" +mp-1220227,Nd4S4Cl2O,-6.7160377218,-2.6922057919,0.0206450697,0.0206450697,GGA,Cmc2_1,A2B4CD4_oC44_36_b_2ab_a_2ab:Cl-Nd-O-S,22.0,"Invalid WP multiplicities - A2B4CD4_oC44_36_b_3a2b_a_3a2b:Cl-Nd-O-S, expected Nd7S7Cl2O to be Nd4S4Cl2O" +mp-28406,SCl2O,-4.2681829825,-1.073130008,0.0,-0.0726101429,GGA,P2_1/c,A2BC_mP16_14_2e_e_e:Cl-O-S,16.0,A2BC_mP16_14_2e_e_e:Cl-O-S +mp-28405,S(ClO)2,-4.807044351,-1.2616642291,0.0,-0.2010488883,GGA,Fdd2,A2B2C_oF40_43_b_b_a:Cl-O-S,10.0,A2B2C_oF40_43_b_b_a:Cl-O-S +mp-505436,CuP4O11,-7.3417090564,-2.3313345239,0.0,-0.0073854902,GGA,P-1,AB11C4_aP64_2_2i_22i_8i:Cu-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_2i_43i_15i:Cu-O-P, expected Cu2P15O43 to be CuP4O11" +mp-26796,Cu5P3O13,-6.587592375,-1.7760259885,0.0227592562,0.0227592562,GGA,P2_1/m,A5B13C3_mP42_11_3ef_7e3f_3e:Cu-O-P,42.0,"Invalid WP multiplicities - A5B13C3_mP42_11_4e3f_14e11f_4e:Cu-O-P, expected Cu5(PO9)2 to be Cu5P3O13" +mp-1208270,Th2CuP2O,-6.1169292233,-0.3335597409,1.6321480017,1.6321480017,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-O-P-Th,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-O-P-Th +mp-17224,Cu(PO3)2,-7.1900830472,-2.2338670527,0.0,-0.0253733016,GGA,C2/c,AB6C2_mC72_15_ce_6f_2f:Cu-O-P,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_ce_24f_7f:Cu-O-P, expected CuP7O24 to be Cu(PO3)2" +mp-25976,Cu(PO3)2,-7.1603282794,-2.2041122849,0.0297547678,0.0043814662,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Cu-O-P,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_12f_f:Cu-O-P, expected Cu(PO12)2 to be Cu(PO3)2" +mp-6698,Th2Cu(PO4)3,-8.4198562811,-3.1683509908,0.0,-0.0023577954,GGA,C2/c,AB12C3D2_mC72_15_a_6f_ef_f:Cu-O-P-Th,36.0,AB12C3D2_mC72_15_c_6f_ef_f:Cu-O-P-Th +mp-5169,Cu4P2O9,-6.5184573327,-1.7355486597,0.00913696,0.00913696,GGA,P-1,A4B9C2_aP30_2_4i_9i_2i:Cu-O-P,30.0,"Invalid WP multiplicities - A4B9C2_aP30_2_6i_17i_3i:Cu-O-P, expected Cu6P3O17 to be Cu4P2O9" +mp-21730,Cu4P2O9,-6.5244439342,-1.7415352612,0.0031503585,0.0031503585,GGA,Pnma,A4B9C2_oP60_62_2cd_5c2d_2c:Cu-O-P,60.0,"Invalid WP multiplicities - A4B9C2_oP60_62_2cd_7c4d_2c:Cu-O-P, expected Cu4P2O15 to be Cu4P2O9" +mp-4093,Cu3(PO4)2,-6.6908582177,-1.8679555474,0.0,-0.0044552468,GGA,P-1,A3B8C2_aP13_2_ai_4i_i:Cu-O-P,13.0,"Invalid WP multiplicities - A3B8C2_aP13_2_ai_5i_i:Cu-O-P, expected Cu3(PO5)2 to be Cu3(PO4)2" +mp-772942,Cu3(P2O7)2,-6.8885520986,-1.9740534322,0.0577876576,0.0577876576,GGA,P-1,A3B14C4_aP42_2_bd2i_14i_4i:Cu-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_bd4i_27i_7i:Cu-O-P, expected Cu5P7O27 to be Cu3(P2O7)2" +mp-1190666,Cu3(P2O7)2,-6.8900923376000005,-1.9755936712,0.0562474186,0.0562474186,GGA,P-1,A3B14C4_aP21_2_ai_7i_2i:Cu-O-P,21.0,A3B14C4_aP21_2_ai_7i_2i:Cu-O-P +mp-673105,Cu3(P2O7)2,-6.9384083557,-2.0239096893,0.0079314005,0.0079314005,GGA,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Cu-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_ae_27e_7e:Cu-O-P, expected Cu3(P7O27)2 to be Cu3(P2O7)2" +mp-1181537,CuPO5,-6.2448912564,-1.3526122946,0.2590919491,0.2590919491,GGA,P2_1/c,AB5C_mP28_14_ab_5e_e:Cu-O-P,28.0,AB5C_mP28_14_ad_5e_e:Cu-O-P +mp-1193274,CuPO5,-5.9041676975,-1.0118887357,0.599815508,0.599815508,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:Cu-O-P,28.0,AB5C_oP28_19_a_5a_a:Cu-O-P +mp-1087483,ThCuPO,-7.640084382499999,-2.171820348,0.0,-0.0511940313,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-O-P-Th,8.0,ABCD_tP8_129_a_b_c_c:Cu-O-P-Th +mp-27589,Cu5(PO5)2,-6.3985017094,-1.6461766814,0.0042436994,0.0042436994,GGA,P-1,A5B10C2_aP17_2_a2i_5i_i:Cu-O-P,17.0,"Invalid WP multiplicities - A5B10C2_aP17_2_a2i_6i_i:Cu-O-P, expected Cu5(PO6)2 to be Cu5(PO5)2" +mp-673151,Cu4(PO4)3,-6.6895988076,-1.8476515058,0.03756149,0.03756149,GGA,P-1,A4B12C3_aP38_2_4i_12i_3i:Cu-O-P,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_7i_22i_5i:Cu-O-P, expected Cu7P5O22 to be Cu4(PO4)3" +mp-26742,Cu4(PO4)3,-6.6987183539,-1.8567710521,0.0284419437,0.0284419437,GGA,C2/c,A4B12C3_mC76_15_2ef_6f_ef:Cu-O-P,38.0,"Invalid WP multiplicities - A4B12C3_mC76_15_4e3f_23f_2ef:Cu-O-P, expected Cu5P2O23 to be Cu4(PO4)3" +mp-1101571,Cu4(PO4)3,-6.672587938,-1.8306406362,0.0545723596,0.0545723596,GGA,Pnma,A4B12C3_oP76_62_2d_2c5d_cd:Cu-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_62_9d_7c36d_2c3d:Cu-O-P, expected Cu18P8O79 to be Cu4(PO4)3" +mp-1189208,Cu5(PO6)2,-6.2473079684,-1.4745236054,0.0553115002,0.0553115002,GGA,P-1,A5B12C2_aP19_2_abci_6i_i:Cu-O-P,19.0,A5B12C2_aP19_2_abci_6i_i:Cu-O-P +mp-1197383,Cu5(PO6)2,-6.2531437718,-1.4803594088,0.0494756968,0.0494756968,GGA,P2_1/c,A5B12C2_mP38_14_a2e_6e_e:Cu-O-P,38.0,A5B12C2_mP38_14_a2e_6e_e:Cu-O-P +mp-1199380,Cu5(PO6)2,-6.2526518958,-1.4798675327000002,0.0499675728,0.0499675728,GGA,P2_1/c,A5B12C2_mP38_14_a2e_6e_e:Cu-O-P,38.0,A5B12C2_mP38_14_a2e_6e_e:Cu-O-P +mp-766856,CuPO3,-6.7749675238,-1.9044524617,0.1060278857,0.1060278857,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cu-O-P,40.0,"Invalid WP multiplicities - AB3C_mP40_14_7e_23e_7e:Cu-O-P, expected Cu7P7O23 to be CuPO3" +mp-772192,CuPO3,-6.7926512548,-1.9221361927,0.0883441547,0.0883441547,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:Cu-O-P,40.0,"Invalid WP multiplicities - AB3C_mP40_14_5e_21e_5e:Cu-O-P, expected Cu5P5O21 to be CuPO3" +mp-772255,CuPO3,-6.8530142767,-1.9824992146,0.0279811328,0.0279811328,GGA,R-3,AB3C_hR90_148_f_3f_f:Cu-O-P,30.0,"Invalid WP multiplicities - AB3C_hR90_148_f_13f_f:Cu-O-P, expected CuPO13 to be CuPO3" +mp-1225821,Cu2P2O7,-6.9005211545,-2.0230812153,0.0067350482,-0.0054345975,GGA,C2,A2B7C2_mC22_5_2a_b3c_c:Cu-O-P,11.0,"Invalid WP multiplicities - A2B7C2_mC22_5_2a_b4c_c:Cu-O-P, expected Cu2P2O9 to be Cu2P2O7" +mp-8090,Cu2P2O7,-6.9033795227,-2.0259395834,0.00387668,-0.0082929657,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:Cu-O-P,11.0,A2B7C2_mC22_12_h_aij_i:Cu-O-P +mp-3638,Cu2P2O7,-6.9072562027,-2.0298162634,0.0,-0.0121696457,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:Cu-O-P,22.0,A2B7C2_mC44_15_f_e3f_f:Cu-O-P +mp-1203515,Cu3PO7,-6.1161237518,-1.3581470704,0.0578346553,0.0578346553,GGA,Pbca,A3B7C_oP88_61_3c_7c_c:Cu-O-P,88.0,A3B7C_oP88_61_3c_7c_c:Cu-O-P +mp-779530,Cu(PO3)3,-7.1436261231,-2.1544482314,0.05348084,0.05348084,GGA,P-1,AB9C3_aP52_2_2i_18i_6i:Cu-O-P,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_3i_35i_11i:Cu-O-P, expected Cu3P11O35 to be Cu(PO3)3" +mp-766254,Cu(PO3)3,-7.1775557321,-2.1883778405,0.0195512309,0.0195512309,GGA,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Cu-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_9a:Cu-O-P, expected Cu(P3O11)3 to be Cu(PO3)3" +mp-540496,Cu(PO3)3,-7.1845122837,-2.195334392,0.0125946794,0.0125946794,GGA,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Cu-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_9a:Cu-O-P, expected Cu(P3O11)3 to be Cu(PO3)3" +mp-17281,Cu2PO4,-6.5138575343,-1.7426474355,0.0,-0.0081172843,GGA,P-1,A2B4C_aP28_2_4i_8i_2i:Cu-O-P,28.0,A2B4C_aP28_2_4i_8i_2i:Cu-O-P +mp-1181868,Cu3(P3O16)2,-5.8443301207000005,-0.8913673449,0.5797158362,0.5797158362,GGA,P-1,A3B32C6_aP41_2_ai_16i_3i:Cu-O-P,41.0,A3B32C6_aP41_2_ai_16i_3i:Cu-O-P +mp-1204313,Cu3(P3O16)2,-5.8572937056,-0.9043309298,0.5667522513000001,0.5667522513000001,GGA,P-1,A3B32C6_aP41_2_ai_16i_3i:Cu-O-P,41.0,A3B32C6_aP41_2_ai_16i_3i:Cu-O-P +mp-1181643,Cu2PO5,-6.1751245428,-1.3819796174,0.3044038853,0.2741104338,GGA,Pnnm,A2B5C_oP32_58_eg_3gh_g:Cu-O-P,32.0,A2B5C_oP32_58_eg_3gh_g:Cu-O-P +mp-1203235,Cu2PO5,-6.4795284281,-1.6863835028,0.0,-0.0302934515,GGA,Pnnm,A2B5C_oP32_58_eg_3gh_g:Cu-O-P,32.0,A2B5C_oP32_58_eg_3gh_g:Cu-O-P +mp-26304,Cu9(PO4)8,-6.7363865406,-1.869175952,0.0130423225,0.0130423225,GGA,P-1,A9B32C8_aP49_2_bcd3i_16i_4i:Cu-O-P,49.0,"Invalid WP multiplicities - A9B32C8_aP49_2_bcd6i_30i_7i:Cu-O-P, expected Cu15(P7O30)2 to be Cu9(PO4)8" +mp-26532,Cu2P3O10,-6.9814558997,-2.0544420348,0.0380068438,0.0380068438,GGA,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Cu-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_8e7f_4e:Cu-O-P, expected CuP2O11 to be Cu2P3O10" +mp-9581,Th(CuP)2,-6.059594406,-0.7718190853,0.0,-0.0814848478,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-P-Th,5.0,A2B2C_hP5_164_d_d_a:Cu-P-Th +mp-504265,CuPO4,-6.7580440158,-1.8748333456,0.0054882721,-0.0083952938,GGA,P2_1/c,AB4C_mP24_14_ad_4e_e:Cu-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_ad_14e_e:Cu-O-P, expected CuPO14 to be CuPO4" +mp-673017,CuPO4,-6.6401564237,-1.7569457535000002,0.1233758642,0.1094922983,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Cu-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_12e_e:Cu-O-P, expected CuPO12 to be CuPO4" +mp-25886,CuPO4,-6.6854772358,-1.8022665656,0.0780550521,0.0641714862,GGA,Fdd2,AB4C_oF48_43_a_2b_a:Cu-O-P,12.0,"Invalid WP multiplicities - AB4C_oF48_43_a_3b_a:Cu-O-P, expected CuPO6 to be CuPO4" +mp-753519,CuPO4,-6.7635322879,-1.8803216176,0.0,-0.0138835659,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Cu-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_7c2d_c:Cu-O-P, expected CuPO11 to be CuPO4" +mp-540284,CuPO4,-6.7223584217,-1.8391477514,0.0411738663,0.0272903004,GGA,I-4,AB4C_tI12_82_a_g_c:Cu-O-P,6.0,AB4C_tI12_82_a_g_c:Cu-O-P +mp-673047,CuPO4,-6.6719619064,-1.7887512361,0.0915703815,0.0776868157,GGA,R3,AB4C_hR108_146_2b_8b_2b:Cu-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_146_2b_23b_3b:Cu-O-P, expected Cu2P3O23 to be CuPO4" +mp-755649,K2Eu2O3,-7.7042080121,-2.3363697796,0.045691126,0.045691126,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Eu-K-O,14.0,A2B2C3_mP14_14_e_e_ae:Eu-K-O +mp-556949,KEu(MoO4)2,-8.407715665,-2.3550314436,0.0,-0.011171714,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Eu-K-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_aP24_2_i_i_3i_16i:Eu-K-Mo-O, expected KEuMo3O16 to be KEu(MoO4)2" +mp-768949,KEuO2,-7.9139942525,-2.5987997101,0.0,-0.1399621702,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-K-O,4.0,ABC2_hR12_166_a_b_c:Eu-K-O +mp-1215311,ZrNi5(BO5)2,-7.6343359542,-2.0635551384,0.0515345622,0.0515345622,GGA+U,Pmc2_1,A2B5C10D_oP36_26_2a_2a3b_6a4b_a:B-Ni-O-Zr,36.0,"Invalid WP multiplicities - A2B5C10D_oP36_26_3a_2a4b_9a6b_a:B-Ni-O-Zr, expected ZrNi6(BO5)3 to be ZrNi5(BO5)2" +mp-1188026,ZrBO3,-8.09859658,-2.0851648731,1.1624291193,1.1624291193,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Zr,5.0,AB3C_cP5_221_b_c_a:B-O-Zr +mp-559571,ZrB2O5,-9.0237608503,-3.1937698843,0.0,-0.0140828489,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:B-O-Zr,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_8e_18e_e:B-O-Zr, expected Zr(B4O9)2 to be ZrB2O5" +mp-22709,TaNiB2,-8.3837340187,-0.6345595558,0.0,-0.0656437196,GGA,Pnma,A2BC_oP16_62_2c_c_c:B-Ni-Ta,16.0,A2BC_oP16_62_2c_c_c:B-Ni-Ta +mp-1192512,Ta2(Ni7B2)3,-6.7154801031,-0.330142994,0.0,-0.0072357884,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Ta,29.0,A6B21C2_cF116_225_e_afh_c:B-Ni-Ta +mp-1208716,TaNi11(BO5)4,-7.4793291351,-1.8934785124,0.0,-0.0103786197,GGA+U,C2/c,A4B11C20D_mC144_15_2f_ace4f_10f_e:B-Ni-O-Ta,72.0,A4B11C20D_mC144_15_2f_ace4f_10f_e:B-Ni-O-Ta +mp-1194177,Ta3(Ni10B3)2,-6.9705073952,-0.3755964602,0.0,-0.0173844009,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-Ta,29.0,A6B20C3_cF116_225_e_fh_ac:B-Ni-Ta +mp-1076987,TaNiB,-8.722442275,-0.6166735814000001,0.0,-0.0119169401,GGA,Cmcm,ABC_oC12_63_c_c_c:B-Ni-Ta,6.0,ABC_oC12_63_c_c_c:B-Ni-Ta +mp-28918,Sb2WO6,-7.6171945394,-1.9620539864,0.0,-0.0143024643,GGA+U,P2_1,A6B2C_mP18_4_6a_2a_a:O-Sb-W,18.0,"Invalid WP multiplicities - A6B2C_mP18_4_10a_4a_a:O-Sb-W, expected Sb4WO10 to be Sb2WO6" +mp-1219467,SbWO7,-7.0364357989,-1.2904410824,0.349260432,0.349260432,GGA+U,Imma,A7BC_oI36_74_3ej_a_c:O-Sb-W,18.0,"Invalid WP multiplicities - A7BC_oI36_74_5e2j_a_c:O-Sb-W, expected SbWO13 to be SbWO7" +mp-765569,Sb3(WO3)20,-8.9417384578,-2.0941368796,0.035210203,0.035210203,GGA+U,Fmm2,A60B3C20_oF332_42_2b2c10d8e_ac_2ac4d2e:O-Sb-W,83.0,"Invalid WP multiplicities - A60B3C20_oF332_42_4b3c15d16e_ac_2a2c6d4e:O-Sb-W, expected Sb3(W17O54)2 to be Sb3(WO3)20" +mp-1219461,Sb(WO3)5,-8.875925681,-2.0606883924,0.0488276602,0.0488276602,GGA+U,Cmme,A15BC5_oC84_67_c5no_g_g2n:O-Sb-W,42.0,"Invalid WP multiplicities - A15BC5_oC84_67_c10no_g_g7n:O-Sb-W, expected Sb(W3O5)5 to be Sb(WO3)5" +mp-1225944,CsSbWO6,-7.4707623511,-2.1749105612,0.0006769772,-0.0862885264,GGA+U,Ima2,AB6CD_oI36_46_b_2b2c_a_b:Cs-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_46_b_4b6c_a_b:Cs-O-Sb-W, expected CsSbWO16 to be CsSbWO6" +mp-1540169,CsSbWO6,-7.4714393283,-2.1755875384,0.0,-0.0869655037,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-Sb-W, expected CsSbWO12 to be CsSbWO6" +mp-1047602,Sb(WO4)2,-8.2123675191,-1.8833883018,0.2120242174,0.2120242174,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-Sb-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-Sb-W, expected Sb(WO8)2 to be Sb(WO4)2" +mp-1047752,Sb(WO4)2,-8.2829732732,-1.9539940559,0.1414184633,0.1414184633,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Sb-W,22.0,A8BC2_mP22_13_4g_e_g:O-Sb-W +mp-1222294,LiNdS2,-5.69843701,-1.9609445018,0.0786721778,0.0786721778,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Li-Nd-S,4.0,ABC2_tP4_123_a_d_bc:Li-Nd-S +mp-36791,LiNdS2,-5.7565806638,-2.0190881555,0.0205285241,0.0205285241,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Nd-S,8.0,ABC2_tI16_141_a_b_e:Li-Nd-S +mp-1222303,LiNdS2,-5.7636705875,-2.0261780793,0.0134386003,0.0134386003,GGA,R-3m,ABC2_hR12_166_a_b_c:Li-Nd-S,4.0,ABC2_hR12_166_a_b_c:Li-Nd-S +mp-1211135,LiNd(SO4)2,-6.9438767879,-2.4002534777,0.1309427559,0.1309427559,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Li-Nd-O-S,24.0,ABC8D2_tP24_118_c_d_2i_f:Li-Nd-O-S +mp-1229205,Ag(OsO3)2,-7.3425702622,-1.2350788032,0.0623086781,0.0623086781,GGA,Ima2,AB6C2_oI36_46_b_2b2c_ab:Ag-O-Os,18.0,"Invalid WP multiplicities - AB6C2_oI36_46_b_4b6c_ab:Ag-O-Os, expected Ag(OsO8)2 to be Ag(OsO3)2" +mp-510349,Ag13OsO6,-4.3452258368,-0.4586894497,0.0203912788,0.0203912788,GGA,Fm-3c,A13B6C_cF160_226_bi_f_a:Ag-O-Os,40.0,A13B6C_cF160_226_bi_f_a:Ag-O-Os +mp-1229233,AgOsN2O3,-6.3689604146,0.1414652164,0.9755000258,0.9755000258,GGA,C2,AB2C3D_mC56_5_2ac_4c_6c_2c:Ag-N-O-Os,,"Invalid WP multiplicities - AB2C3D_mC56_5_2ac_4c_7c_2c:Ag-N-O-Os, expected Ag2Os2N4O7 to be AgOsN2O3" +mp-1215679,ZnNi3(B2O5)2,-7.453344965,-2.187533418,0.021454946,0.021454946,GGA+U,P1,A4B3C10D_aP18_1_4a_3a_10a_a:B-Ni-O-Zn,18.0,A4B3C10D_aP18_1_4a_3a_10a_a:B-Ni-O-Zn +mp-1047240,MgAsWO5,-7.5953918047,-2.1015202745,0.1641897506,0.1641897506,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-W,32.0,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-W +mp-1042867,MgAs2WO7,-7.3258532668,-2.0073561697,0.1343262507,0.1343262507,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-W,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-W +mp-1041766,Mg3As4W3O16,-7.3972451029,-1.9565249552,0.2393771146,0.2393771146,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Mg-O-W,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_be:As-Mg-O-W, expected Mg3As10W3O58 to be Mg3As4W3O16" +mp-1307408,Li3Y(NiO3)2,-6.4618557612,-2.0090519828,0.0762821449,0.0762821449,GGA+U,P-1,A3B2C6D_aP12_2_ai_i_3i_e:Li-Ni-O-Y,24.0,"Invalid WP multiplicities - A3B2C6D_aP12_2_ai_i_5i_e:Li-Ni-O-Y, expected Li3Y(NiO5)2 to be Li3Y(NiO3)2" +mp-754436,Li3Y(NiO3)2,-6.4619631,-2.0091593216,0.0761748062,0.0761748062,GGA+U,C2/m,A3B2C6D_mC24_12_ag_h_ij_d:Li-Ni-O-Y,12.0,"Invalid WP multiplicities - A3B2C6D_mC24_12_a2g_h_2ij_c:Li-Ni-O-Y, expected Li5Y(NiO4)2 to be Li3Y(NiO3)2" +mp-1309972,Li3Y(NiO3)2,-6.4721444383,-2.0193406599,0.0659934678,0.0659934678,GGA+U,C2/c,A3B2C6D_mC48_15_cf_2e_3f_e:Li-Ni-O-Y,24.0,"Invalid WP multiplicities - A3B2C6D_mC48_15_af_3e_6f_e:Li-Ni-O-Y, expected Li3Y(NiO4)3 to be Li3Y(NiO3)2" +mp-1045129,Y(NiO2)3,-6.9322955838,-1.5835942417000002,0.1427282501,0.1427282501,GGA+U,C2/m,A3B6C_mC80_12_ade2ij_6i3j_2i:Ni-O-Y,40.0,"Invalid WP multiplicities - A3B6C_mC80_12_ac2e2i2j_12i12j_4i:Ni-O-Y, expected Y4(NiO4)9 to be Y(NiO2)3" +mp-776467,Li9Y(NiO4)2,-5.7840850515,-2.0450570533,0.0876499414,0.0876499414,GGA+U,Pnma,A9B2C8D_oP80_62_3c3d_2c_4c2d_c:Li-Ni-O-Y,80.0,"Invalid WP multiplicities - A9B2C8D_oP80_62_12c9d_5c_16c5d_c:Li-Ni-O-Y, expected Li30YNi5O26 to be Li9Y(NiO4)2" +mp-1346622,Y2Ni2O7,-7.564107585,-2.1895588063,0.0604409169,0.0604409169,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Ni-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Ni-O-Y +mp-1045534,Y(NiO2)2,-7.2838984836,-1.8819700095,0.2343299778,0.2343299778,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Ni-O-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h3i_c:Ni-O-Y, expected Y(NiO6)2 to be Y(NiO2)2" +mp-1396217,Y(NiO2)2,-7.334464725,-1.932536251,0.1837637363,0.1837637363,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Ni-O-Y,14.0,A2B4C_tI28_88_c_f_b:Ni-O-Y +mp-1384134,Y(NiO2)2,-7.3859168486,-1.9839883745,0.1323116128,0.1323116128,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Ni-O-Y,14.0,"Invalid WP multiplicities - A2B4C_hR42_166_a2d_2c2h_c:Ni-O-Y, expected Y2Ni7O16 to be Y(NiO2)2" +mp-1398595,Y(NiO2)2,-7.3864528257,-1.9845243517,0.1317756356,0.1317756356,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Ni-O-Y,14.0,A2B4C_cF56_227_c_e_b:Ni-O-Y +mp-19242,YNiO3,-7.892334481,-2.4749996956,0.0,-0.0003353248,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Ni-O-Y,20.0,AB3C_oP20_62_a_cd_c:Ni-O-Y +mp-1346989,YNiO3,-7.8219097467,-2.4045749612,0.0704247343,0.0700894096,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ni-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Ni-O-Y +mp-1399857,YNiO3,-7.63778598,-2.2204511946,0.254548501,0.2542131762,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Ni-O-Y,10.0,AB3C_hP10_194_c_bf_a:Ni-O-Y +mp-1433326,YNiO3,-7.682370102,-2.2650353166,0.209964379,0.2096290542,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Y,5.0,AB3C_cP5_221_b_c_a:Ni-O-Y +mp-1349550,Y2(NiO3)3,-7.0210623939,-1.6786659176,0.2637705235,0.2637705235,GGA+U,Pnma,A3B9C2_oP56_62_ad_3c3d_2c:Ni-O-Y,56.0,"Invalid WP multiplicities - A3B9C2_oP56_62_4a5d_11c22d_6c:Ni-O-Y, expected Y6Ni14O55 to be Y2(NiO3)3" +mp-8203,Zr(PS3)2,-5.9057670033,-0.9954331317,0.0,-0.0097438239,GGA,P4_2/m,A2B6C_tP18_84_j_jk_e:P-S-Zr,18.0,"Invalid WP multiplicities - A2B6C_tP18_84_j_j2k_e:P-S-Zr, expected Zr(PS5)2 to be Zr(PS3)2" +mp-31014,ZrP2S7,-5.802369773,-0.9694243019,0.0,-0.024635881,GGA,Fddd,A2B7C_oF160_70_h_e3h_f:P-S-Zr,40.0,"Invalid WP multiplicities - A2B7C_oF160_70_h_3e8h_f:P-S-Zr, expected ZrP2S19 to be ZrP2S7" +mp-1207456,Zr2PS2,-6.074750934,0.0815697661,1.7405755165,1.7405755165,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:P-S-Zr,5.0,AB2C2_tP5_123_a_g_g:P-S-Zr +mp-1204981,Cs3Zr2P5S18,-5.4566892425,-1.1243957242,0.0,-0.0409730896,GGA,Cc,A3B5C18D2_mC112_9_3a_5a_18a_2a:Cs-P-S-Zr,56.0,A3B5C18D2_mC112_9_3a_5a_18a_2a:Cs-P-S-Zr +mp-680246,Cs4Zr3S14,-5.611996931,-1.4627107636,0.0,-0.0708605257,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Cs-S-Zr,42.0,"Invalid WP multiplicities - A4B14C3_mC84_15_8f_27f_2e2f:Cs-S-Zr, expected Cs8(ZrS9)3 to be Cs4Zr3S14" +mp-1215423,Zr2P3S,-7.408804605,-1.1635114972,0.0191896975,0.0191896975,GGA,P4mm,A3BC2_tP6_99_ac_b_ab:P-S-Zr,6.0,A3BC2_tP6_99_ac_b_ab:P-S-Zr +mp-541067,HgNO2,-5.1998595275,-0.5664713494,0.0829862012,0.0829862012,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Hg-N-O,16.0,ABC2_mP16_14_e_e_2e:Hg-N-O +mp-1202185,HgN2O3,-5.233464254,0.0693251374,0.6942648210000001,0.6942648210000001,GGA,P4_132,AB2C3_cP72_213_d_acd_de:Hg-N-O,72.0,AB2C3_cP72_213_d_acd_de:Hg-N-O +mp-726075,HgNO4,-5.3178024492,-0.57998076,0.0954652098,0.0954652098,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Hg-N-O,24.0,ABC4_mP24_14_e_e_4e:Hg-N-O +mp-1181105,HgNO4,-5.2382115808,-0.5003898917,0.1750560781,0.1750560781,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Hg-N-O,24.0,ABC4_mP24_14_e_e_4e:Hg-N-O +mp-1190794,HgNO4,-5.0919793258,-0.3541576367,0.3212883331,0.3212883331,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Hg-N-O,24.0,ABC4_mP24_14_e_e_4e:Hg-N-O +mp-725060,HgNO4,-5.3235011671,-0.5856794779,0.0897664918,0.0897664918,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Hg-N-O,24.0,ABC4_mP24_14_e_e_4e:Hg-N-O +mp-1336696,Hg2N2O3,-4.9091181324,-0.3204871733,0.2361907273,0.2361907273,GGA,P4_12_12,A2B2C3_tP140_92_2a4b_2a4b_a7b:Hg-N-O,140.0,"Invalid WP multiplicities - A2B2C3_tP140_92_7a25b_7a28b_4a50b:Hg-N-O, expected Hg57N63O104 to be Hg2N2O3" +mp-680303,Hg2N2O3,-4.9027731174,-0.3141421583,0.2425357422,0.2425357422,GGA,P4_32_12,A2B2C3_tP140_96_2a4b_2a4b_a7b:Hg-N-O,140.0,"Invalid WP multiplicities - A2B2C3_tP140_96_7a25b_7a28b_4a50b:Hg-N-O, expected Hg57N63O104 to be Hg2N2O3" +mp-1199362,Hg5N3O11,-4.8578756997,-0.5977987301000001,0.1464622653,0.1464622653,GGA,P-1,A5B3C11_aP38_2_5i_3i_11i:Hg-N-O,38.0,A5B3C11_aP38_2_5i_3i_11i:Hg-N-O +mp-559722,Hg3(NO4)2,-5.1581255409,-0.7613916459000001,0.0,-0.0732917608,GGA,Pbca,A3B2C8_oP104_61_3c_2c_8c:Hg-N-O,104.0,"Invalid WP multiplicities - A3B2C8_oP104_61_19c_10c_56c:Hg-N-O, expected Hg19(N5O28)2 to be Hg3(NO4)2" +mp-646297,Hg4Pb2N6O19,-5.8445885944,-0.9205217987,0.0,-0.0059943231,GGA,Fd-3m,A4B6C19D2_cF248_227_e_f_afg_d:Hg-N-O-Pb,62.0,"Invalid WP multiplicities - A4B6C19D2_cF248_227_e_f_2a7f7g_d:Hg-N-O-Pb, expected Hg2PbN3O64 to be Hg4Pb2N6O19" +mp-729568,Hg4N3O10,-5.129608094,-0.6771908382,0.0695701387,0.0695701387,GGA,Aea2,A4B3C10_oC136_41_4b_3b_10b:Hg-N-O,68.0,A4B3C10_oC136_41_4b_3b_10b:Hg-N-O +mp-1203186,HgNO5,-5.1152416514,-0.3475818163,0.2313718721,0.2313718721,GGA,Pbcm,ABC5_oP28_57_c_d_d2e:Hg-N-O,28.0,ABC5_oP28_57_c_d_d2e:Hg-N-O +mp-1196482,Hg3NO5,-4.3386958942,-0.5630314968,0.1561950961,0.1561950961,GGA,Pbca,A3BC5_oP72_61_3c_c_5c:Hg-N-O,72.0,A3BC5_oP72_61_3c_c_5c:Hg-N-O +mp-542289,HgNO3,-5.445975905,-0.7499276202,0.0,-0.0213420231,GGA,P2_1,ABC3_mP40_4_4a_4a_12a:Hg-N-O,40.0,ABC3_mP40_4_4a_4a_12a:Hg-N-O +mp-1197269,HgNO3,-5.224763704,-0.5287154192,0.221212201,0.1998701779,GGA,P4_132,ABC3_cP60_213_d_d_de:Hg-N-O,60.0,ABC3_cP60_213_d_d_de:Hg-N-O +mp-5824,Hg2NO4,-4.8466101293,-0.7422372007,0.0,-0.0240919104,GGA,P2_1/c,A2BC4_mP28_14_2e_e_4e:Hg-N-O,28.0,A2BC4_mP28_14_2e_e_4e:Hg-N-O +mp-546561,NdCrS2O,-7.712276171,-2.1841195015,0.0391047395,0.0391047395,GGA+U,C2/m,ABCD2_mC20_12_ad_i_i_2i:Cr-Nd-O-S,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_ac_i_i_3i:Cr-Nd-O-S, expected NdCrS3O to be NdCrS2O" +mp-6166,PrCuSO,-6.7358191925,-2.2450064417,0.0079939729,0.0079939729,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-O-Pr-S,8.0,ABCD_tP8_129_a_b_c_c:Cu-O-Pr-S +mp-1209735,Pr2CuS2O,-5.22782538,-0.7477242758,1.6597690746,1.6597690746,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-O-Pr-S,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-O-Pr-S +mp-6799,LiCa4(BN2)3,-7.0311009929,-1.3176390465,0.0,-0.0340388513,GGA,Im-3m,A3B4CD6_cI28_229_b_c_a_e:B-Ca-Li-N,14.0,A3B4CD6_cI28_229_b_c_a_e:B-Ca-Li-N +mp-18853,TlV2AgO6,-7.2038167715,-1.8995024157,0.0,-0.0046946952,GGA+U,C2/c,AB6CD2_mC40_15_e_3f_e_f:Ag-O-Tl-V,20.0,AB6CD2_mC40_15_e_3f_e_f:Ag-O-Tl-V +mp-18996,TlV3O8,-7.9587161712,-2.1930602507,0.0,-0.0005429643,GGA+U,P2_1/m,A8BC3_mP24_11_2e3f_e_ef:O-Tl-V,24.0,"Invalid WP multiplicities - A8BC3_mP24_11_3e7f_e_e2f:O-Tl-V, expected TlV5O17 to be TlV3O8" +mp-1208305,Tl5V3O10,-6.7954476615,-1.8770131584,0.0023632477,0.0023632477,GGA+U,P4_12_12,A10B5C3_tP72_92_5b_a2b_ab:O-Tl-V,72.0,A10B5C3_tP72_92_5b_a2b_ab:O-Tl-V +mp-1208174,Tl2V3O8,-7.6436591727,-2.1397734655,0.0,-0.0152762353,GGA+U,P4bm,A8B2C3_tP26_100_abcd_c_ac:O-Tl-V,26.0,A8B2C3_tP26_100_abcd_c_ac:O-Tl-V +mp-583506,Tl2V8O21,-8.0526561097,-2.2050110197,0.0099231805,0.0099231805,GGA+U,C2/m,A21B2C8_mC62_12_a10i_i_4i:O-Tl-V,31.0,"Invalid WP multiplicities - A21B2C8_mC62_12_a20i_i_8i:O-Tl-V, expected Tl2V16O41 to be Tl2V8O21" +mp-29047,Tl3VO4,-6.16963412,-1.6748103256,0.0,-0.0371580359,GGA+U,Imm2,A4B3C_oI16_44_cd_ac_b:O-Tl-V,8.0,"Invalid WP multiplicities - A4B3C_oI16_44_cd_a2c_b:O-Tl-V, expected Tl5VO4 to be Tl3VO4" +mp-1192129,Tl3V5O14,-7.6651225309,-2.1305269969,0.0,-0.0201327873,GGA+U,P31m,A14B3C5_hP22_157_b2cd_c_bc:O-Tl-V,22.0,A14B3C5_hP22_157_b2cd_c_bc:O-Tl-V +mp-18842,TlV4O10,-8.1020146013,-2.2243376321,0.0263353473,0.0263353473,GGA+U,C2/m,A10BC4_mC30_12_5i_a_2i:O-Tl-V,15.0,"Invalid WP multiplicities - A10BC4_mC30_12_6i_a_2i:O-Tl-V, expected TlV4O12 to be TlV4O10" +mp-22330,TlVO3,-7.2685180305,-2.0111949604,0.0063142706,0.0063142706,GGA+U,Pbcm,A3BC_oP20_57_c2d_d_d:O-Tl-V,20.0,A3BC_oP20_57_c2d_d_d:O-Tl-V +mp-541368,Tl4V2O7,-6.6143411431,-1.8262483965,0.0,-0.0114514943,GGA+U,P-3m1,A7B4C2_hP13_164_ai_2d_c:O-Tl-V,13.0,A7B4C2_hP13_164_ai_2d_c:O-Tl-V +mp-36862,VCl2O,-6.303543405,-1.8716263797,0.0826512016,0.0826512016,GGA+U,C2/c,A2BC_mC16_15_f_e_e:Cl-O-V,8.0,A2BC_mC16_15_f_e_e:Cl-O-V +mp-1216404,VCl2O,-6.3037081681,-1.8717911428,0.0824864384,0.0824864384,GGA+U,Imm2,A2BC_oI8_44_c_a_a:Cl-O-V,16.0,A2BC_oI8_44_c_a_a:Cl-O-V +mp-27712,VCl2O,-6.2910417025,-1.8591246772,0.0951529041,0.0951529041,GGA+U,Immm,A2BC_oI8_71_e_a_c:Cl-O-V,4.0,A2BC_oI8_71_e_a_c:Cl-O-V +mp-22938,VCl3O,-5.536248269,-1.6210073167,0.081426753,0.081426753,GGA+U,Pnma,A3BC_oP20_62_cd_c_c:Cl-O-V,20.0,A3BC_oP20_62_cd_c_c:Cl-O-V +mp-558952,Sr2VClO4,-7.3155480756,-3.0532750154,0.0,-0.0188543256,GGA+U,Pbcm,AB4C2D_oP32_57_d_2e_cd_c:Cl-O-Sr-V,32.0,"Invalid WP multiplicities - AB4C2D_oP32_57_d_9e_3c3d_c:Cl-O-Sr-V, expected Sr6VClO18 to be Sr2VClO4" +mp-556224,Sr5V3ClO12,-7.6690608029,-3.0543947709,0.0,-0.0221969974,GGA+U,P6_3/m,AB12C5D3_hP42_176_b_2hi_fh_h:Cl-O-Sr-V,42.0,"Invalid WP multiplicities - AB12C5D3_hP42_176_b_10h6i_3f4h_h:Cl-O-Sr-V, expected Sr18V3ClO66 to be Sr5V3ClO12" +mp-23061,VClO,-7.4882428958,-2.1951990821,0.0,-0.0315493568,GGA+U,Pmmn,ABC_oP6_59_a_a_b:Cl-O-V,12.0,ABC_oP6_59_a_a_b:Cl-O-V +mp-1178868,V(ClO2)3,-4.877828056,-0.4468632243,0.5834250033,0.5834250033,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Cl-O-V,20.0,A3B6C_mP20_14_ae_3e_d:Cl-O-V +mp-1189088,V(ClO2)3,-4.2652418725,0.1657229592,1.1960111868,1.1960111868,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Cl-O-V,20.0,A3B6C_mP20_14_ae_3e_d:Cl-O-V +mp-558871,SrVClO3,-7.3155056337,-2.7385052476,0.0,-0.0085318765,GGA+U,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Sr-V,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_3c3d_c_c:Cl-O-Sr-V, expected SrVClO9 to be SrVClO3" +mp-1178834,VCl3O4,-4.8525539387,-0.5505200769,0.6478046112,0.6478046112,GGA+U,C2/m,A3B4C_mC32_12_3i_2j_ac:Cl-O-V,16.0,A3B4C_mC32_12_3i_2j_ac:Cl-O-V +mp-1200957,VIn(TeO4)2,-6.6718261094,-1.8638501697,0.0088384311,0.0088384311,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:In-O-Te-V,48.0,AB8C2D_mP48_14_e_8e_2e_e:In-O-Te-V +mp-1208341,TbAl3(BO3)4,-8.3480617665,-3.2506155061,0.0066625378,0.0066625378,GGA,C2/c,A3B4C12D_mC80_15_ef_2f_6f_e:Al-B-O-Tb,40.0,A3B4C12D_mC80_15_ef_2f_6f_e:Al-B-O-Tb +mp-1208321,TbAl3(BO3)4,-8.3490049835,-3.2515587231,0.0057193208,0.0057193208,GGA,R32,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Tb,20.0,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Tb +mp-1201619,TbAlB14,-6.5304932034,-0.1622790333,0.0497525105,0.0497525105,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Tb,32.0,AB14C_oI64_74_a_3i2j_e:Al-B-Tb +mp-1114193,Rb2YHgI6,-3.139487197,-1.3823454247,0.104343378,0.104343378,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-Rb-Y +mp-1209281,ReNO2,-6.9157816312,0.7528182519000001,2.1994229632,2.1994229632,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:N-O-Re,16.0,AB2C_tI32_141_c_h_d:N-O-Re +mp-1197035,Pd(NO)6,-5.4800025412,1.0491500456,1.5733042762,1.5733042762,GGA,C2/c,A6B6C_mC104_15_6f_6f_cd:N-O-Pd,52.0,A6B6C_mC104_15_6f_6f_ab:N-O-Pd +mp-1200683,Pd(N3O7)2,-6.5799150567,-0.6536058511,0.0635153626,0.0635153626,GGA,P2_1/c,A6B14C_mP42_14_3e_7e_a:N-O-Pd,42.0,A6B14C_mP42_14_3e_7e_a:N-O-Pd +mp-1202122,Pd3(NO)16,-5.6075319411,0.9087704477,1.4330213916,1.4330213916,GGA,I-42m,A16B16C3_tI70_121_2eh2i_hij_ae:N-O-Pd,35.0,A16B16C3_tI70_121_2eh2i_hij_ae:N-O-Pd +mp-1203258,Pd(NO4)2,-6.0135695268,-0.4293530405,0.1901019593,0.1901019593,GGA,Pbca,A2B8C_oP44_61_c_4c_a:N-O-Pd,44.0,A2B8C_oP44_61_c_4c_a:N-O-Pd +mp-1189263,Pd(NO3)2,-6.4830009917,-0.7571116664,0.0,-0.05623444,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:N-O-Pd,18.0,A2B6C_mP18_14_e_3e_a:N-O-Pd +mp-1210156,Re2Pd(NO2)4,-7.4435212267,-0.5776261887,0.7443618437,0.7443618437,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pd-Re,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pd-Re +mp-721006,ReNO4,-7.23711805,-0.4758218908,1.1308104378,1.1308104378,GGA,I4_1/a,AB4C_tI24_88_a_f_b:N-O-Re,12.0,AB4C_tI24_88_a_f_b:N-O-Re +mp-1103631,ReNO4,-7.3493396783,-0.5880435192,1.0185888095,1.0185888095,GGA,I4_1/a,AB4C_tI24_88_a_f_b:N-O-Re,12.0,AB4C_tI24_88_a_f_b:N-O-Re +mp-1219620,RbOsNO3,-7.2533671904,-1.3559567635,0.0149017249,0.0149017249,GGA,P2_12_12_1,AB3CD_oP24_19_a_3a_a_a:N-O-Os-Rb,24.0,AB3CD_oP24_19_a_3a_a_a:N-O-Os-Rb +mp-1029576,RbOsN2,-7.2839424456,-0.0637196075,0.2111413421,0.2111413421,GGA,Pbcm,A2BC_oP32_57_ade_cd_cd:N-Os-Rb,32.0,A2BC_oP32_57_ade_cd_cd:N-Os-Rb +mp-1119109,RbOsN2,-7.2808494691,-0.0606266309,0.2142343186,0.2142343186,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Os-Rb,64.0,A2BC_oP64_61_4c_2c_2c:N-Os-Rb +mp-1229098,Cs3BAsP,-3.6055629325,-0.365892966,0.0017885379,0.0017885379,GGA,Cc,ABC3D_mC24_9_a_a_3a_a:As-B-Cs-P,12.0,"Invalid WP multiplicities - ABC3D_mC24_9_a_a_4a_a:As-B-Cs-P, expected Cs4BAsP to be Cs3BAsP" +mp-573658,Cs3BAs2,-3.4617778792,-0.347805263,0.0,-0.066693375,GGA,C2/c,A2BC3_mC24_15_f_e_ef:As-B-Cs,12.0,"Invalid WP multiplicities - A2BC3_mC24_15_f_e_2e3f:As-B-Cs, expected Cs8BAs2 to be Cs3BAs2" +mp-1008528,B2AsP,-6.0545329775,-0.1967318642,0.0678528598,0.0678528598,GGA,P-4m2,AB2C_tP4_115_a_g_c:As-B-P,4.0,AB2C_tP4_115_a_g_c:As-B-P +mp-9675,Cs3BP2,-3.7529250617,-0.3875577449,0.0,-0.0965584501,GGA,C2/c,AB3C2_mC24_15_e_ef_f:B-Cs-P,12.0,AB3C2_mC24_15_e_ef_f:B-Cs-P +mp-1194932,Sm2SeOF2,-7.3321391519,-3.7150174196,0.0,-0.0115840892,GGA,P6_3/m,A2BCD2_hP36_176_2h_h_h_2h:F-O-Se-Sm,36.0,A2BCD2_hP36_176_2h_h_h_2h:F-O-Se-Sm +mp-9488,SmOF,-8.060692215,-4.2017742771,0.0,-0.0797006721,GGA,R-3m,ABC_hR18_166_c_c_c:F-O-Sm,6.0,ABC_hR18_166_c_c_c:F-O-Sm +mp-37381,SmOF,-8.00564692,-4.1467289821,0.055045295,-0.0246553771,GGA,F-43m,ABC_cF12_216_a_b_c:F-O-Sm,3.0,ABC_cF12_216_a_b_c:F-O-Sm +mp-1173604,Sm4(OF2)3,-7.4558870912,-3.9802498236,0.296754155,0.296754155,GGA,Pm,A6B3C4_mP52_6_23ab_4a8b_8a8b:F-O-Sm,52.0,A6B3C4_mP52_6_23ab_4a8b_8a8b:F-O-Sm +mp-1208574,Ta4Se8SI8,-5.2819482068,-0.9332918731,0.0,-0.0203978,GGA,Pna2_1,A8BC8D4_oP84_33_8a_a_8a_4a:I-S-Se-Ta,84.0,A8BC8D4_oP84_33_8a_a_8a_4a:I-S-Se-Ta +mp-569258,Ta4Se9I8,-5.2210275388,-0.9028730331,0.0,-0.0107497008,GGA,Pna2_1,A8B9C4_oP84_33_8a_9a_4a:I-Se-Ta,84.0,"Invalid WP multiplicities - A8B9C4_oP84_33_31a_29a_13a:I-Se-Ta, expected Ta13Se29I31 to be Ta4Se9I8" +mp-29116,Ta3SeI7,-5.3155888732,-0.826242617,0.0076679614,0.0076679614,GGA,P6_3mc,A7BC3_hP22_186_b2c_a_c:I-Se-Ta,22.0,A7BC3_hP22_186_b2c_a_c:I-Se-Ta +mp-1208533,Ta3Se12I,-5.8466011431,-0.9092488324,0.0,-0.0322495094,GGA,P4/mnc,AB12C3_tP64_128_e_2h2i_df:I-Se-Ta,64.0,AB12C3_tP64_128_e_2h2i_df:I-Se-Ta +mp-30531,Ta2Se8I,-5.7417242264,-0.9093411872,0.0,-0.021290896,GGA,I422,AB8C2_tI44_97_e_2k_cd:I-Se-Ta,22.0,"Invalid WP multiplicities - AB8C2_tI44_97_e_3k_cd:I-Se-Ta, expected Ta2Se12I to be Ta2Se8I" +mp-1020632,RbB3O5,-7.8654957703,-2.7819232212,0.0252898933,0.0252898933,GGA,C2/c,A3B5C_mC72_15_3f_5f_f:B-O-Rb,36.0,A3B5C_mC72_15_3f_5f_f:B-O-Rb +mp-29756,RbB3O5,-7.889662285,-2.806089736,0.0011233786,0.0011233786,GGA,P2_12_12_1,A3B5C_oP36_19_3a_5a_a:B-O-Rb,36.0,"Invalid WP multiplicities - A3B5C_oP36_19_4a_8a_a:B-O-Rb, expected Rb(BO2)4 to be RbB3O5" +mp-561055,RbB3O5,-7.8898268253,-2.8062542762,0.0009588383,0.0009588383,GGA,P2_12_12_1,A3B5C_oP36_19_3a_5a_a:B-O-Rb,36.0,"Invalid WP multiplicities - A3B5C_oP36_19_9a_15a_a:B-O-Rb, expected Rb(B3O5)3 to be RbB3O5" +mp-1199892,RbGeB3O7,-7.665440709,-2.6430608574,0.0,-0.0107850159,GGA,Pna2_1,A3BC7D_oP48_33_3a_a_7a_a:B-Ge-O-Rb,48.0,A3BC7D_oP48_33_3a_a_7a_a:B-Ge-O-Rb +mp-975385,RbBO3,-5.09859014,-0.5985917446,1.4997210936,1.4997210936,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Rb,5.0,AB3C_cP5_221_b_c_a:B-O-Rb +mp-1202870,Rb3B3O10,-6.1445308213,-1.6166142811,0.3505540047,0.3505540047,GGA,Pna2_1,A3B10C3_oP64_33_3a_10a_3a:B-O-Rb,64.0,A3B10C3_oP64_33_3a_10a_3a:B-O-Rb +mp-30127,Rb3B7O12,-7.732286782,-2.7751227298,0.0044063517,0.0044063517,GGA,P-1,A7B12C3_aP88_2_14i_24i_6i:B-O-Rb,88.0,A7B12C3_aP88_2_14i_24i_6i:B-O-Rb +mp-553925,Rb5B19O31,-8.0140596875,-2.829360341,0.0,-0.008029374,GGA,C2/c,A19B31C5_mC220_15_e9f_e15f_a2f:B-O-Rb,110.0,"Invalid WP multiplicities - A19B31C5_mC220_15_2e34f_2e57f_2c6f:B-O-Rb, expected Rb7B35O58 to be Rb5B19O31" +mp-1020896,Rb4Ge3B6O17,-7.2935376487,-2.5614950296,0.0,-0.007688827,GGA,Cc,A6B3C17D4_mC120_9_6a_3a_17a_4a:B-Ge-O-Rb,60.0,A6B3C17D4_mC120_9_6a_3a_17a_4a:B-Ge-O-Rb +mp-973738,GeBO3,-6.239931454,-1.0114343021,1.3230400194,1.3230400194,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ge-O,5.0,ABC3_cP5_221_b_a_c:B-Ge-O +mp-1020707,Rb2GeB4O9,-7.519970398,-2.6561040552,0.0,-0.0024647437,GGA,P2_1,A4BC9D2_mP64_4_8a_2a_18a_4a:B-Ge-O-Rb,64.0,A4BC9D2_mP64_4_8a_2a_18a_4a:B-Ge-O-Rb +mp-31358,RbBO2,-7.0112168642,-2.6228910477,0.0,-0.1675473492,GGA,R-3c,AB2C_hR72_167_e_2e_e:B-O-Rb,24.0,AB2C_hR72_167_e_2e_e:B-O-Rb +mp-561814,RbB5O8,-8.1180836771,-2.8358692045,0.0,-0.0130532896,GGA,Pbca,A5B8C_oP112_61_5c_8c_c:B-O-Rb,112.0,"Invalid WP multiplicities - A5B8C_oP112_61_33c_60c_c:B-O-Rb, expected Rb(B11O20)3 to be RbB5O8" +mp-16980,Rb2B4O7,-7.63001369,-2.7603632125,0.0,-0.0086607415,GGA,P-1,A4B7C2_aP52_2_8i_14i_4i:B-O-Rb,52.0,"Invalid WP multiplicities - A4B7C2_aP52_2_8i_17i_4i:B-O-Rb, expected Rb4B8O17 to be Rb2B4O7" +mp-1226555,CeThC2,-8.1082545725,-0.157184975,0.0924664621,0.0924664621,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ce-Th,4.0,A2BC_hR12_166_c_a_b:C-Ce-Th +mp-1226556,CeThN2,-9.2337281125,-1.7287437987,0.0,-0.012990185,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-N-Th,4.0,AB2C_hR12_166_a_c_b:Ce-N-Th +mp-1226550,CeThCN,-8.67934613,-0.9513191744,0.0404394419,0.0404394419,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:C-Ce-N-Th,4.0,ABCD_tP4_123_a_b_d_c:C-Ce-N-Th +mp-672205,Ce(C2N3)3,-7.5503594906,0.9704865366,1.278614667,1.278614667,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Ce-N,32.0,"Invalid WP multiplicities - A6BC9_oC64_63_4g4h_c_2c3f4g6h:C-Ce-N, expected Ce(C3N5)8 to be Ce(C2N3)3" +mp-1213867,Ce2(CN2)3,-9.0392040464,-0.896372743,0.0,-0.2476010123,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Ce-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Ce-N +mp-1110744,Rb2LiYI6,-3.572412901,-1.6547468785,0.027094289,0.027094289,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:I-Li-Rb-Y +mp-1027162,CeMg14B,-2.0419374756,0.146587626,0.2009419795,0.2009419795,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Ce-Mg, expected CeMg18B to be CeMg14B" +mp-1026810,CeMg14B,-1.9625040594,0.2260210422,0.2803753957,0.2803753957,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Ce-Mg, expected CeMg26B to be CeMg14B" +mp-1039958,CeMg30BO32,-6.3244914684,-2.9039458249,0.1507264884,0.1507264884,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Ce-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Ce-Mg-O, expected CeMg110BO72 to be CeMg30BO32" +mp-1039962,CeMg30BO32,-6.3191039716,-2.898558328,0.1561139852,0.1561139852,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Ce-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Ce-Mg-O, expected CeMg90BO80 to be CeMg30BO32" +mp-1034697,CeMg14BO16,-6.306783985,-2.7391770786,0.3161272486,0.3161272486,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Ce-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Ce-Mg-O, expected CeMg18BO20 to be CeMg14BO16" +mp-1034664,CeMg14BO16,-6.3156639219,-2.7480570154,0.3072473117,0.3072473117,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Ce-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Ce-Mg-O, expected CeMg30BO32 to be CeMg14BO16" +mp-1213931,CeMg(BO2)5,-8.3983176172,-3.0808343718,0.0,-0.0005437749,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Ce-Mg-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Ce-Mg-O +mp-1017491,CeMg6B,-2.5643494838,0.2124206695,0.3211293764,0.3211293764,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Ce-Mg,8.0,ABC6_oC16_38_a_b_abde:B-Ce-Mg +mp-1098076,CeMg6B,-2.5035467138,0.2732234395,0.3819321464,0.3819321464,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Ce-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Ce-Mg +mp-1031096,CeMg6BO8,-6.2980063281,-2.4362768959,0.6202914591,0.6202914591,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Ce-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Ce-Mg-O, expected CeMg6BO12 to be CeMg6BO8" +mp-1031104,CeMg6BO8,-6.3737599819,-2.5120305496,0.5445378053000001,0.5445378053000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Ce-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Ce-Mg-O, expected CeMg6BO12 to be CeMg6BO8" +mp-1393470,YCuF5,-6.0318022429,-3.1570775827,0.1501677982,0.1501677982,GGA,Immm,AB5C_oI14_71_b_ceg_a:Cu-F-Y,7.0,AB5C_oI14_71_b_ceg_a:Cu-F-Y +mp-1110996,Na2YCuF6,-5.435189076,-2.9672288585,0.2896812493,0.2896812493,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Na-Y +mp-647768,Co3C10O9,-7.8434604526,-0.6556510566,0.4843154284,0.4843154284,GGA+U,P3_121,A10B3C9_hP132_152_10c_3c_9c:C-Co-O,132.0,"Invalid WP multiplicities - A10B3C9_hP132_152_55c_11c_52c:C-Co-O, expected Co11C55O52 to be Co3C10O9" +mp-705042,Co3C10O9,-7.8423718872,-0.6545624912,0.4854039939,0.4854039939,GGA+U,R-3c,A10B3C9_hR264_167_c3f_f_3f:C-Co-O,88.0,"Invalid WP multiplicities - A10B3C9_hR264_167_3c25f_f_29f:C-Co-O, expected CoC26O29 to be Co3C10O9" +mp-1181984,CoCO3,-7.485859252,-1.2504493678,0.421501477,0.3257636935,GGA+U,C2/c,ABC3_mC20_15_e_a_ef:C-Co-O,10.0,"Invalid WP multiplicities - ABC3_mC20_15_e_a_2e3f:C-Co-O, expected CoCO8 to be CoCO3" +mp-21434,CoCO3,-7.907360729,-1.6719508448,0.0,-0.0957377835,GGA+U,R-3c,ABC3_hR30_167_a_b_e:C-Co-O,10.0,ABC3_hR30_167_a_b_e:C-Co-O +mp-1224620,In4(Co4C)3,-6.4745307363,0.0513926814,0.0550950502,0.0550950502,GGA,P4/mmm,A3B12C4_tP19_123_ag_ef2gi_2h:C-Co-In,19.0,"Invalid WP multiplicities - A3B12C4_tP19_123_a2g_2e2f2g4i_2h:C-Co-In, expected In4Co28C5 to be In4(Co4C)3" +mp-608469,Co(CO)4,-7.8968717836,-0.8069012714,0.417017631,0.417017631,GGA+U,P2_1/m,A4BC4_mP72_11_4e6f_2f_4e6f:C-Co-O,72.0,"Invalid WP multiplicities - A4BC4_mP72_11_8e23f_5f_8e20f:C-Co-O, expected Co5(C9O8)3 to be Co(CO)4" +mp-510741,Co(CO)4,-7.7862818344,-0.6963113222,0.5276075801,0.5276075801,GGA+U,P-43m,A4BC4_cP9_215_e_a_e:C-Co-O,9.0,A4BC4_cP9_215_e_a_e:C-Co-O +mp-752886,Co(CO3)2,-7.5648291022,-1.4264089858,0.1143693567,0.1143693567,GGA+U,P2_1/c,A2BC6_mP18_14_e_a_3e:C-Co-O,18.0,"Invalid WP multiplicities - A2BC6_mP18_14_e_a_9e:C-Co-O, expected Co(CO9)2 to be Co(CO3)2" +mp-1202859,Co(CO3)2,-7.2346155417,-1.0961954253,0.4445829172,0.4445829172,GGA+U,P2_1/c,A2BC6_mP36_14_2e_ad_6e:C-Co-O,36.0,A2BC6_mP36_14_2e_ab_6e:C-Co-O +mp-1189643,Co(CO3)2,-7.0613057089,-0.9228855925,0.61789275,0.61789275,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:C-Co-O,18.0,A2BC6_mC36_15_f_e_3f:C-Co-O +mp-752772,Co2(CO3)3,-7.6364938582,-1.463434539,0.1241911257,0.1241911257,GGA+U,P1,A3B2C9_aP28_1_6a_4a_18a:C-Co-O,28.0,A3B2C9_aP28_1_6a_4a_18a:C-Co-O +mp-1178537,Co2C2O7,-7.5580449642,-1.4397915503,0.0980018598,0.0980018598,GGA+U,C2,A2B2C7_mC66_5_3c_3c_a10c:C-Co-O,33.0,"Invalid WP multiplicities - A2B2C7_mC66_5_6c_5c_a20c:C-Co-O, expected Co10C12O41 to be Co2C2O7" +mp-758083,Co2C2O7,-7.555951937,-1.4376985231,0.100094887,0.100094887,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:C-Co-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_3e_7e_25e:C-Co-O, expected Co7C3O25 to be Co2C2O7" +mp-753266,Co2C2O7,-7.5504844636,-1.4322310497,0.1055623605,0.1055623605,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:C-Co-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_e11f:C-Co-O, expected Co2C2O23 to be Co2C2O7" +mp-758832,Co2C2O7,-7.544923307899999,-1.4266698939,0.1111235162,0.1111235162,GGA+U,P321,A2B2C7_hP33_150_g_c2d_ad3g:C-Co-O,33.0,"Invalid WP multiplicities - A2B2C7_hP33_150_g_c4d_a2d17g:C-Co-O, expected Co10C6O107 to be Co2C2O7" +mp-650140,InCo3(CO)12,-7.7480675196,-0.8130358211000001,0.4032893018,0.4032893018,GGA+U,P2_1/c,A12B3CD12_mP112_14_12e_3e_e_12e:C-Co-In-O,112.0,"Invalid WP multiplicities - A12B3CD12_mP112_14_45e_10e_e_45e:C-Co-In-O, expected InCo10(CO)45 to be InCo3(CO)12" +mp-1191659,Co(C2O3)2,-7.2057348136,-0.5054519016,0.9787573635,0.9787573635,GGA+U,C2/c,A4BC6_mC44_15_2f_c_3f:C-Co-O,22.0,A4BC6_mC44_15_2f_a_3f:C-Co-O +mp-1179866,Pr3CBr5,-5.4223904161,-1.9405543708,0.0,-0.016459979,GGA,P-1,A5BC3_aP18_2_5i_i_3i:Br-C-Pr,18.0,A5BC3_aP18_2_5i_i_3i:Br-C-Pr +mp-568066,Pr2CBr,-6.11647397,-1.0305976369,0.0,-0.075048902,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Br-C-Pr,8.0,ABC2_hP8_194_c_a_f:Br-C-Pr +mp-1180018,PrC2BrO7,-6.9244584423,-1.522814256,0.3448473935,0.3448473935,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Br-C-O-Pr,44.0,AB2C7D_mP44_14_e_2e_7e_e:Br-C-O-Pr +mp-1197876,PrC2BrO7,-6.6961062595000005,-1.2944620733,0.5731995762000001,0.5731995762000001,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Br-C-O-Pr,44.0,AB2C7D_mP44_14_e_2e_7e_e:Br-C-O-Pr +mp-862839,Pr10C4Br15,-5.5604343166,-1.8356362314,0.0,-0.0001463781,GGA,P-1,A15B4C10_aP29_2_a7i_2i_5i:Br-C-Pr,29.0,A15B4C10_aP29_2_a7i_2i_5i:Br-C-Pr +mp-1238770,Pr4C2Br5,-5.1813906664000005,-1.0590183341,0.5891914327000001,0.5885825229,GGA,Cm,A5B2C4_mC22_8_5a_2a_4a:Br-C-Pr,11.0,A5B2C4_mC22_8_5a_2a_4a:Br-C-Pr +mp-1220591,Pr4C2Br5,-5.7705820991,-1.6482097668,0.0,-0.0006089098,GGA,C2/m,A5B2C4_mC22_12_a2i_i_2i:Br-C-Pr,11.0,A5B2C4_mC22_12_a2i_i_2i:Br-C-Pr +mp-1209799,Pr3CBr3,-5.5792158079,-1.5462918439000002,0.0,-0.0023974896,GGA,I4_132,A3BC3_cI56_214_h_a_g:Br-C-Pr,28.0,A3BC3_cI56_214_h_a_g:Br-C-Pr +mp-571575,Pr5(CBr4)2,-5.5327272053000005,-1.8803214453,0.0,-0.00620948,GGA,P-1,A8B2C5_aP60_2_16i_4i_10i:Br-C-Pr,60.0,"Invalid WP multiplicities - A8B2C5_aP60_2_30i_7i_18i:Br-C-Pr, expected Pr18C7Br30 to be Pr5(CBr4)2" +mp-1191029,PrCO4,-8.071427165,-2.4387061496,0.0030741608,0.0030741608,GGA,Pnma,AB4C_oP24_62_c_2cd_c:C-O-Pr,24.0,AB4C_oP24_62_c_2cd_c:C-O-Pr +mp-1209658,Pr5(C2Br)3,-6.8832860289,-0.8878855489,0.0,-0.0340595424,GGA,C2/m,A3B6C5_mC56_12_3i_6i_5i:Br-C-Pr,28.0,A3B6C5_mC56_12_3i_6i_5i:Br-C-Pr +mp-29416,Pr5C2Br9,-5.4448199823,-1.9236253117,0.0110608881,0.0110608881,GGA,P2_1/c,A9B2C5_mP64_14_9e_2e_5e:Br-C-Pr,64.0,A9B2C5_mP64_14_9e_2e_5e:Br-C-Pr +mp-1202671,Pr7C3Br10,-5.6223418235,-1.7882108204,0.0,-0.0041168668,GGA,P-1,A10B3C7_aP40_2_10i_3i_7i:Br-C-Pr,40.0,A10B3C7_aP40_2_10i_3i_7i:Br-C-Pr +mp-555949,KEuPdO3,-7.2607235908,-2.029498809,0.0140412746,0.0140412746,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Eu-K-O-Pd,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_5i_i:Eu-K-O-Pd, expected KEuPdO5 to be KEuPdO3" +mp-1112267,K2AsAuF6,-4.399293434,-2.2370262236,0.2529483661,0.2529483661,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-F-K +mp-541867,CsRe3(O3F5)2,-6.8688187872,-2.5176234938,0.0,-0.0414117958,GGA,P-1,AB10C6D3_aP40_2_i_10i_6i_3i:Cs-F-O-Re,40.0,AB10C6D3_aP40_2_i_10i_6i_3i:Cs-F-O-Re +mp-557451,CsReOF6,-5.9718009458,-2.6656351599,0.0,-0.0803042785,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Cs-F-O-Re,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_22e_e_e:Cs-F-O-Re, expected CsReOF22 to be CsReOF6" +mp-29842,CsReF8,-5.459344849,-2.5961687193,0.0,-0.1102475875,GGA,P4/nmm,AB8C_tP20_129_a_ij_c:Cs-F-Re,20.0,"Invalid WP multiplicities - AB8C_tP20_129_a_2ij_c:Cs-F-Re, expected CsReF12 to be CsReF8" +mp-9632,CsReF6,-5.8259637262,-2.724863306,0.0,-0.072872125,GGA,R-3,AB6C_hR24_148_a_f_b:Cs-F-Re,8.0,AB6C_hR24_148_a_f_b:Cs-F-Re +mp-1205774,Cs2ReF6,-5.6432800089,-2.7872571495000003,0.0,-0.091554167,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Re,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Re +mp-1221472,Na2MnVF7,-6.2014061532,-3.0858311785,0.0119701509,0.0119701509,GGA+U,P3_2,A7BC2D_hP66_145_14a_2a_4a_2a:F-Mn-Na-V,66.0,A7BC2D_hP66_145_14a_2a_4a_2a:F-Mn-Na-V +mp-679986,Ce3Br6N,-5.7466666347,-2.2012733977,0.0210670251,0.0210670251,GGA,Pbca,A6B3C_oP80_61_6c_3c_c:Br-Ce-N,80.0,"Invalid WP multiplicities - A6B3C_oP80_61_42c_17c_c:Br-Ce-N, expected Ce17Br42N to be Ce3Br6N" +mp-570537,Ce2Br3N,-6.297077764,-2.1534513931,0.0,-0.0392259392,GGA,I4_1/a,A3B2C_tI96_88_3f_2f_f:Br-Ce-N,48.0,"Invalid WP multiplicities - A3B2C_tI96_88_18f_10f_f:Br-Ce-N, expected Ce10Br18N to be Ce2Br3N" +mp-680421,Ce6S4BrN3,-7.7228118111,-2.1008941323,0.0,-0.0141134684,GGA,Pnma,AB6C3D4_oP56_62_c_6c_3c_4c:Br-Ce-N-S,56.0,"Invalid WP multiplicities - AB6C3D4_oP56_62_c_17c_9c_15c:Br-Ce-N-S, expected Ce17S15BrN9 to be Ce6S4BrN3" +mp-27378,S4(BrN)3,-4.656972949,-0.0355360257,0.1768648767,0.1768648767,GGA,P2_1/c,A3B3C4_mP40_14_3e_3e_4e:Br-N-S,40.0,A3B3C4_mP40_14_3e_3e_4e:Br-N-S +mp-1208600,SrTl3O5,-5.2311725411,-1.5077429356,0.0563382141,0.0563382141,GGA,Cmcm,A5BC3_oC36_63_c2f_c_af:O-Sr-Tl,18.0,A5BC3_oC36_63_c2f_c_af:O-Sr-Tl +mp-757407,Sr2Tl2O5,-5.6833151881,-2.0346799929,0.0057019014,-0.0038722346,GGA,P2_1/c,A5B2C2_mP36_14_5e_2e_ace:O-Sr-Tl,36.0,"Invalid WP multiplicities - A5B2C2_mP36_14_19e_7e_2a2c4e:O-Sr-Tl, expected Sr7Tl6O19 to be Sr2Tl2O5" +mp-1218526,Sr2Tl2O5,-5.6890170894,-2.0403818943,0.0,-0.009574136,GGA,Cmc2_1,A5B2C2_oC36_36_5a_2a_2a:O-Sr-Tl,18.0,"Invalid WP multiplicities - A5B2C2_oC36_36_7a_2a_2a:O-Sr-Tl, expected Sr2Tl2O7 to be Sr2Tl2O5" +mp-4655,SrTl2O4,-5.4661642936,-1.7230879233,0.0,-0.0168666086,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:O-Sr-Tl,28.0,A4BC2_oP28_62_4c_c_2c:O-Sr-Tl +mp-981367,SrTlO3,-5.40582679,-1.6273862432,0.2406669655,0.2406669655,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-Tl,5.0,A3BC_cP5_221_c_a_b:O-Sr-Tl +mp-1208595,SrTl2(PO3)4,-7.2191312611,-2.6176441922,0.0,-0.0091832645,GGA,I-4,A12B4CD2_tI38_82_3g_g_a_f:O-P-Sr-Tl,19.0,A12B4CD2_tI38_82_3g_g_a_f:O-P-Sr-Tl +mp-31355,Sr3Tl2O6,-5.815165737,-2.2266294715,0.0023606225,0.0023606225,GGA,Pbam,A6B3C2_oP44_55_ad2g3h_3g_2h:O-Sr-Tl,44.0,A6B3C2_oP44_55_ad2g3h_3g_2h:O-Sr-Tl +mp-1207145,SmPOs2C,-8.839472882,-0.4764150832,0.1500815485,0.1500815485,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-P-Sm,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-P-Sm +mp-1219203,Si3P3Rh,-6.0321915214,-0.3350244529,0.0100889608,0.0100889608,GGA,P1,A3BC3_aP7_1_3a_a_3a:P-Rh-Si,7.0,A3BC3_aP7_1_3a_a_3a:P-Rh-Si +mp-14935,P3RhO9,-7.5210297735,-2.2806902511,0.0,-0.0579791754,GGA,Cc,A9B3C_mC156_9_27a_9a_3a:O-P-Rh,78.0,A9B3C_mC156_9_27a_9a_3a:O-P-Rh +mp-28870,PRhO4,-7.3968713567,-1.9694771531,0.0,-0.0173612407,GGA,Imma,A4BC_oI72_74_hi2j_ef_cf:O-P-Rh,36.0,"Invalid WP multiplicities - A4BC_oI72_74_hi3j_ef_cf:O-P-Rh, expected P3Rh3O16 to be PRhO4" +mp-1208874,Si2P4Rh,-5.9343915629,-0.2389409976,0.1347893938,0.1347893938,GGA,C2/m,A4BC2_mC14_12_j_a_i:P-Rh-Si,7.0,A4BC2_mC14_12_j_a_i:P-Rh-Si +mp-1219334,Si2P3RhO13,-7.8090193666,-2.6110296457,0.0,-0.0025437518,GGA,P321,A13B3CD2_hP38_150_d4g_ef_c_2d:O-P-Rh-Si,38.0,"Invalid WP multiplicities - A13B3CD2_hP38_150_d6g_ef_c_2d:O-P-Rh-Si, expected Si2P3RhO19 to be Si2P3RhO13" +mp-1197344,PRhO10,-5.5597938548,-0.3727523974,0.6541306807,0.6541306807,GGA,C2/c,A10BC_mC96_15_10f_f_ae:O-P-Rh,48.0,A10BC_mC96_15_10f_f_ae:O-P-Rh +mp-505721,Rb3VS4,-4.9966644709,-1.4252510016,0.0,-0.222279065,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Rb-S-V,32.0,A3B4C_oP32_62_cd_2cd_c:Rb-S-V +mp-756195,Li2(VS2)3,-6.3301432655,-1.2493920705,0.0713645521,0.0713645521,GGA,P6_3/mcm,A2B6C3_hP22_193_d_eh_g:Li-S-V,22.0,"Invalid WP multiplicities - A2B6C3_hP22_193_d_2e3h_g:Li-S-V, expected Li2V3S16 to be Li2(VS2)3" +mp-1045443,Li(VS2)2,-6.4519255043,-1.2201348651,0.0750920817,0.0750920817,GGA,Imma,AB4C2_oI28_74_a_hi_bc:Li-S-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Li-S-V, expected Li(V2S7)2 to be Li(VS2)2" +mp-1045389,Li(VS2)2,-6.4468750993,-1.2150844601,0.0801424867,0.0801424867,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Li-S-V,14.0,AB4C2_tI28_141_a_h_d:Li-S-V +mp-1177739,Li3(VS2)4,-6.3059276813,-1.2956615603,0.037008911,0.037008911,GGA,R3m,A3B8C4_hR45_160_b_2a2b_ab:Li-S-V,15.0,"Invalid WP multiplicities - A3B8C4_hR45_160_b_2a4b_ab:Li-S-V, expected Li3(V2S7)2 to be Li3(VS2)4" +mp-7543,LiVS2,-6.152656175,-1.3362240074,0.0251027064,0.0251027064,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-S-V,4.0,AB2C_hP4_164_a_d_b:Li-S-V +mp-754542,LiVS2,-6.13421299,-1.3177808224,0.0435458914,0.0435458914,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-V,4.0,AB2C_hR12_166_a_c_b:Li-S-V +mp-558815,Rb2LiVS4,-5.1206130669,-1.4331509982,0.0,-0.029417765,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Li-Rb-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Li-Rb-S-V +mp-756394,Li2V2S5,-5.9592548794,-1.2183763008,0.0903472884,0.0903472884,GGA,C2/c,A2B5C2_mC36_15_f_e2f_f:Li-S-V,18.0,"Invalid WP multiplicities - A2B5C2_mC36_15_f_2e5f_f:Li-S-V, expected LiVS6 to be Li2V2S5" +mp-768423,Li3VS4,-5.1922517972,-1.27269253,0.0880051666,0.0598547871,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:Li-S-V,32.0,"Invalid WP multiplicities - A3B4C_mP32_14_11e_15e_e:Li-S-V, expected Li11VS15 to be Li3VS4" +mp-755642,Li3VS4,-5.243436935,-1.3238776678,0.0368200287,0.0086696493,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Li-S-V,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_2a2b_4a2b_a:Li-S-V, expected Li6VS8 to be Li3VS4" +mp-768476,Li3VS4,-5.2196754172,-1.30011615,0.0605815466,0.0324311671,GGA,Fdd2,A3B4C_oF256_43_2a5b_8b_2b:Li-S-V,64.0,"Invalid WP multiplicities - A3B4C_oF256_43_4a18b_29b_5b:Li-S-V, expected Li20V5S29 to be Li3VS4" +mp-768440,Li3VS4,-5.210581025,-1.2910217578,0.0696759387,0.0415255593,GGA,P-42_1c,A3B4C_tP64_114_cd2e_4e_e:Li-S-V,64.0,"Invalid WP multiplicities - A3B4C_tP64_114_2c2d14e_25e_e:Li-S-V, expected Li16VS25 to be Li3VS4" +mp-760375,Li3VS4,-5.2802569638,-1.3606976966,0.0,-0.0281503795,GGA,P-43m,A3B4C_cP8_215_c_e_b:Li-S-V,8.0,A3B4C_cP8_215_c_e_b:Li-S-V +mp-1177470,Li3VS3,-5.236072845,-1.3474979492,0.0748755601,0.0748755601,GGA,R3c,A3B3C_hR42_161_b_b_a:Li-S-V,14.0,A3B3C_hR42_161_b_b_a:Li-S-V +mp-1176510,LiVS3,-5.822289908,-1.1418542005,0.1029735006,0.1029735006,GGA,P-1,AB3C_aP10_2_i_3i_i:Li-S-V,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:Li-S-V, expected LiVS5 to be LiVS3" +mp-1219696,Rb(V3S4)2,-7.1962960507,-1.2912580888,0.0,-0.0011212836,GGA,P-3,AB8C6_hP15_147_a_dg_g:Rb-S-V,,AB8C6_hP15_147_a_dg_g:Rb-S-V +mp-1104630,RbV5S8,-6.9603830014,-1.2824070473,0.0278219721,0.0278219721,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:Rb-S-V,14.0,AB8C5_mC28_12_a_4i_c2i:Rb-S-V +mp-768414,Li4VS4,-5.0571483944,-1.3609931718,0.0475348198,0.0475348198,GGA,Pnma,A4B4C_oP36_62_acd_2cd_c:Li-S-V,36.0,"Invalid WP multiplicities - A4B4C_oP36_62_2a4c2d_7c2d_c:Li-S-V, expected Li10VS11 to be Li4VS4" +mp-1094079,PAuS,-4.4883457229,-0.2138009317,0.0852986266,0.0852986266,GGA,Pbca,ABC_oP24_61_c_c_c:Au-P-S,24.0,ABC_oP24_61_c_c_c:Au-P-S +mp-1210205,Nb4P2AuS20,-6.0129291319,-0.9301622981,0.0005069393,0.0005069393,GGA,C2/c,AB4C2D20_mC108_15_a_2f_f_10f:Au-Nb-P-S,54.0,AB4C2D20_mC108_15_c_2f_f_10f:Au-Nb-P-S +mp-30938,PAuS4,-4.7111563133,-0.5056589843,0.0,-0.0617259496,GGA,P-1,ABC4_aP12_2_be_i_4i:Au-P-S,12.0,ABC4_aP12_2_be_i_4i:Au-P-S +mp-1208658,TaP4(S2Cl)5,-5.1240605442,-0.918152063,0.0021654608,0.0021654608,GGA,P-1,A5B4C10D_aP40_2_5i_4i_10i_i:Cl-P-S-Ta,40.0,A5B4C10D_aP40_2_5i_4i_10i_i:Cl-P-S-Ta +mp-560192,TaP4(SCl)5,-5.2417834537,-1.0127221009,0.0063589401,0.0063589401,GGA,P-1,A5B4C5D_aP30_2_5i_4i_5i_i:Cl-P-S-Ta,30.0,"Invalid WP multiplicities - A5B4C5D_aP30_2_7i_8i_10i_i:Cl-P-S-Ta, expected TaP8S10Cl7 to be TaP4(SCl)5" +mp-572763,TaP4(SCl)5,-5.2408987055,-1.0118373528,0.0072436883,0.0072436883,GGA,P2_1/c,A5B4C5D_mP60_14_5e_4e_5e_e:Cl-P-S-Ta,60.0,"Invalid WP multiplicities - A5B4C5D_mP60_14_18e_13e_15e_e:Cl-P-S-Ta, expected TaP13(S5Cl6)3 to be TaP4(SCl)5" +mp-556728,TaP2S2Cl5,-5.3112599691,-1.2912634014,0.0,-0.0125780839,GGA,P2_1/c,A5B2C2D_mP80_14_10e_4e_4e_2e:Cl-P-S-Ta,80.0,"Invalid WP multiplicities - A5B2C2D_mP80_14_36e_14e_13e_4e:Cl-P-S-Ta, expected Ta4P14S13Cl36 to be TaP2S2Cl5" +mp-557016,TaP4S6Cl5,-5.2149541753,-0.9916810404,0.006891666,0.006891666,GGA,P-1,A5B4C6D_aP32_2_5i_4i_6i_i:Cl-P-S-Ta,32.0,"Invalid WP multiplicities - A5B4C6D_aP32_2_10i_7i_10i_i:Cl-P-S-Ta, expected TaP7(SCl)10 to be TaP4S6Cl5" +mp-555967,TaP4S4Cl5,-5.2669293975,-1.0312529386,0.007914953,0.007914953,GGA,P-1,A5B4C4D_aP28_2_5i_4i_4i_i:Cl-P-S-Ta,28.0,"Invalid WP multiplicities - A5B4C4D_aP28_2_8i_5i_7i_i:Cl-P-S-Ta, expected TaP5S7Cl8 to be TaP4S4Cl5" +mp-1182737,Cs2Si(S2O7)3,-6.5154922295,-1.9849827324,0.0,-0.0780292846,GGA,P-3,A2B21C6D_hP180_147_2g_21g_6g_c2d:Cs-O-S-Si,180.0,A2B21C6D_hP180_147_2g_21g_6g_c2d:Cs-O-S-Si +mp-1047504,Zn2TeWO6,-6.307376752,-1.4772711909,0.3480914225,0.3480914225,GGA+U,P1,A6BCD2_aP10_1_6a_a_a_2a:O-Te-W-Zn,10.0,A6BCD2_aP10_1_6a_a_a_2a:O-Te-W-Zn +mp-1373817,Zn2TeWO6,-6.4562542105,-1.6261486494,0.199213964,0.199213964,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Te-W-Zn,20.0,A6BCD2_mP20_14_3e_a_b_e:O-Te-W-Zn +mp-1046655,Zn4Te3W5O18,-7.1955473642,-1.5855493618,0.2830944882,0.2830944882,GGA+U,C2,A18B3C5D4_mC120_5_18c_3c_ab4c_4c:O-Te-W-Zn,60.0,"Invalid WP multiplicities - A18B3C5D4_mC120_5_36c_4c_ab8c_7c:O-Te-W-Zn, expected Zn7Te4(WO4)9 to be Zn4Te3W5O18" +mp-1210403,NaBe2N3F8,-4.8119967179,-1.3046633223,0.6549047135,0.6549047135,GGA,P-3m1,A2B8C3D_hP14_164_d_di_ad_b:Be-F-N-Na,14.0,A2B8C3D_hP14_164_d_di_ad_b:Be-F-N-Na +mp-1110857,K2TaAgF6,-5.5017203,-2.6637197668,0.3827587561,0.3827587561,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ta +mp-561748,CsV(MoO4)2,-8.151842785,-2.2148329223,0.0,-0.0165885063,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:Cs-Mo-O-V,24.0,AB2C8D_hP12_164_a_d_di_b:Cs-Mo-O-V +mp-1112236,K2CoHgF6,-4.386021565,-2.2758545791,0.1377808355,0.1377808355,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-Hg-K +mp-14466,KLi6IrO6,-5.539234035,-1.8904838497,0.0,-0.0238854652,GGA,R-3m,ABC6D6_hR42_166_a_b_f_h:Ir-K-Li-O,14.0,ABC6D6_hR42_166_a_b_f_h:Ir-K-Li-O +mp-561288,K3LiIrO4,-5.4160611822,-1.6532491008,0.0,-0.0368943735,GGA,C2/c,AB3CD4_mC36_15_c_ef_e_2f:Ir-K-Li-O,18.0,"Invalid WP multiplicities - AB3CD4_mC36_15_c_2e2f_e_5f:Ir-K-Li-O, expected K6LiIrO10 to be K3LiIrO4" +mp-14005,KRuO4,-6.610030835,-1.581438113,0.0,-0.0847827666,GGA,I4_1/a,AB4C_tI24_88_a_f_b:K-O-Ru,12.0,AB4C_tI24_88_a_f_b:K-O-Ru +mp-17789,K2RuO4,-6.1895516932,-1.7207009391,0.0,-0.2261897761,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:K-O-Ru,28.0,A2B4C_oP28_62_2c_2cd_c:K-O-Ru +mp-1201514,K2RuO5,-6.0526632259,-1.5240827272000002,0.0070192192,0.0070192192,GGA,P2_12_12_1,A2B5C_oP32_19_2a_5a_a:K-O-Ru,32.0,A2B5C_oP32_19_2a_5a_a:K-O-Ru +mp-1223542,KLi2(RuO2)6,-7.2283238257,-1.5171369469,0.0358621965,0.0358621965,GGA,P-6,AB2C12D6_hP21_174_a_cf_2j2k_jk:K-Li-O-Ru,21.0,AB2C12D6_hP21_174_a_cf_2j2k_jk:K-Li-O-Ru +mp-5628,K(RuO2)4,-7.4653479054,-1.4821541518,0.0,-0.0091507568,GGA,I4/m,AB8C4_tI26_87_a_2h_h:K-O-Ru,13.0,AB8C4_tI26_87_a_2h_h:K-O-Ru +mp-1211539,KRuO2,-6.21328804,-1.1437433126,0.3618700091,0.3618700091,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:K-O-Ru,16.0,AB2C_tI32_141_c_h_d:K-O-Ru +mp-973958,KRuO3,-6.582909454,-1.5379359298000002,0.1041077557,0.1041077557,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Ru,5.0,AB3C_cP5_221_a_c_b:K-O-Ru +mp-560789,SbI(ClF3)2,-4.0977006297,-2.0208691583,0.0,-0.0627324782,GGA,Cmce,A2B6CD_oC80_64_g_2f2g_e_f:Cl-F-I-Sb,40.0,"Invalid WP multiplicities - A2B6CD_oC80_64_g_6f11g_e_f:Cl-F-I-Sb, expected SbI(ClF14)2 to be SbI(ClF3)2" +mp-1219120,SmH18(BrO6)3,-5.1887028368,-1.2015244183,0.0,-0.047272061,GGA,P6_3mc,A3B18C18D_hP80_186_c_3d_4cd_b:Br-H-O-Sm,80.0,"Invalid WP multiplicities - A3B18C18D_hP80_186_c_5d_6cd_b:Br-H-O-Sm, expected SmH30(BrO8)3 to be SmH18(BrO6)3" +mp-1207600,YCoB4,-7.2968411663,-0.581448501,0.0,-0.0274996544,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Co-Y,24.0,A4BC_oP24_55_4h_g_g:B-Co-Y +mp-13341,YB4Rh,-7.3608234871,-0.6027658093,0.0,-0.0161268977,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Rh-Y,24.0,A4BC_oP24_55_4h_g_g:B-Rh-Y +mp-5984,Y(BRh)4,-7.535940305,-0.5757992298,0.0126497084,0.0126497084,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Rh-Y,18.0,A4B4C_tP18_137_g_g_a:B-Rh-Y +mp-3515,Y(CoB)2,-7.3696354,-0.5612573510000001,0.0,-0.061016686,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Co-Y,5.0,A2B2C_tI10_139_e_d_a:B-Co-Y +mp-1216181,Y2(B2Rh3)3,-7.6498671024,-0.6329221799,0.0,-0.0256622718,GGA,P6/mmm,A6B9C2_hP17_191_ch_gi_e:B-Rh-Y,17.0,A6B9C2_hP17_191_ch_gi_e:B-Rh-Y +mp-1105964,Y(CoB)4,-7.344059384999999,-0.4976916765,0.0,-0.0071808572,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Co-Y,18.0,A4B4C_tP18_137_g_g_a:B-Co-Y +mp-1216199,Y5B4Rh15,-7.78562168,-0.7225158175,0.0163247789,0.0163247789,GGA,P4/mmm,A4B15C5_tP24_123_2g_ae2g2i_c2h:B-Rh-Y,24.0,"Invalid WP multiplicities - A4B15C5_tP24_123_3g_a2e3g6i_c3h:B-Rh-Y, expected Y7B6Rh35 to be Y5B4Rh15" +mp-29725,YBRh3,-7.821756422,-0.7739991232000001,0.0,-0.056464846,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Y,5.0,AB3C_cP5_221_b_c_a:B-Rh-Y +mp-1190692,Y2Co7B3,-7.2861291675,-0.3920173255,0.001509287,0.001509287,GGA,P6/mmm,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Y,24.0,A3B7C2_hP24_191_ch_d2i_abe:B-Co-Y +mp-1106148,Y3Co13B2,-7.178278555,-0.2245936541,0.0174883958,0.0174883958,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Co-Y,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Co-Y +mp-1104597,Y4(CoB2)3,-7.0576301615,-0.3447695105,0.1746257272,0.1746257272,GGA,R-3m,A6B3C4_hR39_166_f_bc_2c:B-Co-Y,13.0,A6B3C4_hR39_166_f_bc_2c:B-Co-Y +mp-1215999,YB4Rh7,-7.3990831425,-0.3379003686,0.185265394,0.185265394,GGA,Pmmm,A4B7C_oP12_47_ij_afgx_d:B-Rh-Y,12.0,"Invalid WP multiplicities - A4B7C_oP12_47_2ij_cehx_b:B-Rh-Y, expected YB6Rh7 to be YB4Rh7" +mp-1215970,YCo2(B2Rh)2,-7.3987742117,-0.4955198198,0.0812061911,0.0812061911,GGA,P4_2mc,A4B2C2D_tP18_105_de_d_e_c:B-Co-Rh-Y,18.0,A4B2C2D_tP18_105_de_d_e_c:B-Co-Rh-Y +mp-1024941,YB2Rh3,-7.68397116,-0.6976081158,0.0,-0.000852284,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Rh-Y,6.0,A2B3C_hP6_191_c_g_a:B-Rh-Y +mp-1188251,Y(Co2B)6,-7.2872698147,-0.3481837475,0.0,-0.0259215718,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Co-Y,19.0,A6B12C_hR57_166_h_fh_b:B-Co-Y +mp-504861,Y4CoB13,-7.1167067917,-0.4608014989,0.1192164183,0.1192164183,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Co-Y,36.0,A13BC4_tP36_128_agi_b_h:B-Co-Y +mp-1216046,YCo4B,-7.0777481117,-0.1478924343,0.1547674406,0.1547674406,GGA,P-6m2,AB4C_hP6_187_a_ck_e:B-Co-Y,6.0,AB4C_hP6_187_a_ck_e:B-Co-Y +mp-10463,YCo4B,-7.2239509442,-0.2940952668,0.0085646081,0.0085646081,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Co-Y,12.0,AB4C_hP12_191_c_di_ab:B-Co-Y +mp-1200125,Y2Co14B,-7.176179039,-0.1686035609,0.0,-0.0049562115,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Y,68.0,AB14C2_tP68_136_f_ce2j2k_fg:B-Co-Y +mp-5019,YCo3B2,-7.3427613567,-0.48439335,0.0,-0.0153475118,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Y,6.0,A2B3C_hP6_191_c_g_a:B-Co-Y +mp-1202694,Y3Al2(Ni2H3)3,-5.0718752113,-0.466579237,0.145112272,0.145112272,GGA,Im-3m,A2B9C6D3_cI80_229_c_abdf_h_e:Al-H-Ni-Y,40.0,A2B9C6D3_cI80_229_c_abdf_h_e:Al-H-Ni-Y +mp-1216171,Y2MnFeO6,-8.9342592925,-2.9097481929,0.0285217056,0.0285217056,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Fe-Mn-O-Y,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_5e_e:Fe-Mn-O-Y, expected Y2MnFeO10 to be Y2MnFeO6" +mp-982188,Y(Mn2Fe)4,-8.740167681500001,0.0015768023,0.0207756782,0.0207756782,GGA,I4/mmm,A4B8C_tI26_139_f_ij_a:Fe-Mn-Y,13.0,A4B8C_tI26_139_f_ij_a:Fe-Mn-Y +mp-1193646,Y6Mn14Fe9,-8.3199540793,0.0696056331,0.0995335837,0.0995335837,GGA,Fm-3m,A9B14C6_cF116_225_af_df_e:Fe-Mn-Y,29.0,A9B14C6_cF116_225_af_df_e:Fe-Mn-Y +mp-1207651,YMnFeO5,-8.6178083287,-2.5138144323,0.0,-0.0022219291,GGA+U,Pbam,ABC5D_oP32_55_g_e_fghi_h:Fe-Mn-O-Y,32.0,ABC5D_oP32_55_g_e_fghi_h:Fe-Mn-O-Y +mp-1215943,YMnFe,-7.982416465,0.0504194068,0.0822335666,0.0822335666,GGA,Imma,ABC_oI12_74_a_c_e:Fe-Mn-Y,6.0,ABC_oI12_74_a_c_e:Fe-Mn-Y +mp-1216095,Y2Mn3Fe,-8.0395557117,0.1086125071,0.125114804,0.125114804,GGA,R-3m,AB3C2_hR18_166_a_d_c:Fe-Mn-Y,6.0,AB3C2_hR18_166_a_d_c:Fe-Mn-Y +mp-982885,KCaO3,-5.06711209,-1.4758990979,0.439582296,0.439582296,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ca-K-O,5.0,ABC3_cP5_221_b_a_c:Ca-K-O +mp-1223520,KCa2Ta3O10,-8.9541630775,-3.3190494082,0.0394682505,0.0394682505,GGA,Amm2,A2BC10D3_oC32_38_2a_a_3a7b_3b:Ca-K-O-Ta,16.0,A2BC10D3_oC32_38_2a_a_3a7b_3b:Ca-K-O-Ta +mp-761873,KTiF4,-6.2567102792,-3.4814091402000003,0.019289549,0.0151197372,GGA,C2/m,A4BC_mC24_12_gij_i_h:F-K-Ti,12.0,"Invalid WP multiplicities - A4BC_mC24_12_g2i2j_i_h:F-K-Ti, expected KTiF7 to be KTiF4" +mp-21639,KTiF4,-6.2759998281,-3.5006986892,0.0,-0.0041698118,GGA,Pnma,A4BC_oP48_62_2c3d_2c_d:F-K-Ti,48.0,A4BC_oP48_62_2c3d_2c_d:F-K-Ti +mp-1178140,KTiF4,-6.2554398296,-3.4801386906,0.0205599985,0.0163901868,GGA,Pnma,A4BC_oP48_62_2c3d_2c_d:F-K-Ti,48.0,"Invalid WP multiplicities - A4BC_oP48_62_5c12d_5c_d:F-K-Ti, expected K5Ti2F29 to be KTiF4" +mp-882700,KTiF4,-6.2562249717,-3.4809238327,0.0197748565,0.0156050447,GGA,Immm,A4BC_oI24_71_egn_e_h:F-K-Ti,12.0,"Invalid WP multiplicities - A4BC_mC24_12_g2i2j_i_h:F-K-Ti, expected KTiF7 to be KTiF4" +mp-8447,K5Ti3F14,-5.9783839695,-3.4329668636,0.0,-0.0293071946,GGA,P4/mnc,A14B5C3_tP44_128_ehi_ag_bc:F-K-Ti,44.0,A14B5C3_tP44_128_ehi_ag_bc:F-K-Ti +mp-1111692,K3TiF6,-5.544146403,-3.2745901367,0.025831036,0.025831036,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Ti,10.0,A6B3C_cF40_225_e_ac_b:F-K-Ti +mp-976271,KTi2F7,-6.564728308,-3.5365547327,0.0323942469,0.0323942469,GGA,Cmmm,A7BC2_oC20_65_ahp_c_g:F-K-Ti,10.0,"Invalid WP multiplicities - A7BC2_oC20_65_a2h4p_c_g:F-K-Ti, expected KTi2F21 to be KTi2F7" +mp-6074,KRb2TiF6,-5.545488998,-3.3019057066,0.0,-0.025878151,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Ti +mp-3970,K2TiF6,-5.9388798756,-3.5405283516,0.0,-0.1867389611,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Ti,9.0,A6B2C_hP9_164_i_d_a:F-K-Ti +mp-1201396,K2TiF5,-5.826404293,-3.3671936995,0.0243526357,0.0243526357,GGA,Pbcn,A5B2C_oP128_60_ac9d_2c3d_2d:F-K-Ti,128.0,A5B2C_oP128_60_ac9d_2c3d_2d:F-K-Ti +mp-1197140,K2TiF5,-5.82648063,-3.3672700365,0.0242762987,0.0242762987,GGA,Pnma,A5B2C_oP32_62_c2d_2c_a:F-K-Ti,32.0,A5B2C_oP32_62_c2d_2c_a:F-K-Ti +mp-1111427,K2RbTiF6,-5.489471321,-3.2329015422,0.0682618975,0.0682618975,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ti,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ti +mp-1045498,Ca(NiS2)2,-5.2085380143,-0.9068704846,0.2352471286,0.2352471286,GGA,P-1,AB2C4_aP14_2_be_acdf_4i:Ca-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_aP14_2_be_acdf_8i:Ca-Ni-S, expected Ca(NiS4)2 to be Ca(NiS2)2" +mp-1387032,Ca(NiS2)2,-5.1171227986,-0.8154552689,0.3266623443,0.3266623443,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Ni-S,14.0,AB2C4_tI28_141_a_d_h:Ca-Ni-S +mp-1341750,CaNi2S5,-5.1935672462,-0.9125519245,0.1315500425,0.1315500425,GGA,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Ni-S,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Ni-S +mp-1246700,Ca2Ni2SF6,-5.4483476214,-2.6140933676,0.4363045797,0.4363045797,GGA+U,Fd-3m,A2B6C2D_cF88_227_c_f_d_a:Ca-F-Ni-S,22.0,A2B6C2D_cF88_227_c_f_d_a:Ca-F-Ni-S +mp-1395611,Ca(NiS2)4,-5.2499303869,-0.7716422688,0.1166480315,0.1166480315,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Ni-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Ni-S, expected Ca(Ni2S7)2 to be Ca(NiS2)4" +mp-1443045,Ca(NiS2)4,-5.1948310438,-0.7165429258,0.1717473746,0.1717473746,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Ca-Ni-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Ca-Ni-S, expected Ca(Ni2S7)2 to be Ca(NiS2)4" +mp-1216781,UNbO5,-9.9724507286,-3.3829994991,0.0011390458,0.0011390458,GGA,P222_1,AB5C_oP14_17_c_abce_a:Nb-O-U,14.0,AB5C_oP14_17_c_abce_a:Nb-O-U +mp-1100957,UNbO5,-9.9734791104,-3.3840278809,0.000110664,0.000110664,GGA,Pcca,AB5C_oP28_54_c_cdef_d:Nb-O-U,28.0,"Invalid WP multiplicities - AB5C_oP28_54_c_3c3d2e4f_d:Nb-O-U, expected UNbO16 to be UNbO5" +mp-29393,UNb2O7,-9.849801979,-3.2377178721,0.0235235677,0.0235235677,GGA,Cmcm,A2B7C_oC40_63_2c_3c2f_c:Nb-O-U,20.0,A2B7C_oC40_63_2c_3c2f_c:Nb-O-U +mp-1100968,UNb6O16,-9.4472867709,-2.8800580913,0.2305602634,0.2305602634,GGA,P1,A6B16C_aP23_1_6a_16a_a:Nb-O-U,23.0,A6B16C_aP23_1_6a_16a_a:Nb-O-U +mp-1100969,UNb6O16,-9.4149128343,-2.8476841548,0.2629342,0.2629342,GGA,P-1,A6B16C_aP23_2_3i_8i_a:Nb-O-U,23.0,"Invalid WP multiplicities - A6B16C_aP23_2_5i_15i_a:Nb-O-U, expected UNb10O30 to be UNb6O16" +mp-756770,UNb6O16,-9.6227461878,-3.0555175083,0.0551008465,0.0551008465,GGA,C2,A6B16C_mC46_5_3c_8c_a:Nb-O-U,23.0,"Invalid WP multiplicities - A6B16C_mC46_5_5c_15c_a:Nb-O-U, expected UNb10O30 to be UNb6O16" +mp-556509,UTiNb2O10,-9.6334595618,-3.2865739033,0.0138397595,0.0138397595,GGA,Fddd,A2B10CD_oF112_70_e_2efh_a_b:Nb-O-Ti-U,28.0,"Invalid WP multiplicities - A2B10CD_oF112_70_e_6e3f5h_a_b:Nb-O-Ti-U, expected UTiNb2O38 to be UTiNb2O10" +mp-1100959,UNb4O12,-6.0610213047,0.4717372074,3.6464990596,3.6464990596,GGA,I4/mmm,A4B12C_tI34_139_g_cdm_a:Nb-O-U,17.0,"Invalid WP multiplicities - A4B12C_tI34_139_g_2c2d3m_a:Nb-O-U, expected UNb4O32 to be UNb4O12" +mp-1216718,UNb4O12,-9.5746882694,-3.0419297574,0.1328320949,0.1328320949,GGA,I4/mmm,A4B12C_tI34_139_g_cdm_a:Nb-O-U,17.0,A4B12C_tI34_139_g_cdm_a:Nb-O-U +mp-1187736,UTiO3,-9.912026782,-3.1066331499,0.307579282,0.307579282,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Ti-U,5.0,A3BC_cP5_221_c_b_a:O-Ti-U +mp-1217425,U2Nb6O21,-9.5584568922,-3.107728851,0.0868388541,0.0868388541,GGA,C2/c,A6B21C2_mC116_15_ac2f_3e9f_f:Nb-O-U,58.0,"Invalid WP multiplicities - A6B21C2_mC116_15_2a2c5f_6e30f_f:Nb-O-U, expected UNb7O33 to be U2Nb6O21" +mp-3696,UNb3O10,-9.6954622736,-3.191018542,0.0226341406,0.0226341406,GGA,Fddd,A3B10C_oF112_70_ae_2efh_b:Nb-O-U,28.0,A3B10C_oF112_70_ae_2efh_b:Nb-O-U +mp-9771,UTi2O6,-9.8824867011,-3.5755393332,0.0098823122,0.0098823122,GGA,C2/m,A6B2C_mC18_12_3i_i_a:O-Ti-U,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_4i_i_a:O-Ti-U, expected UTi2O8 to be UTi2O6" +mp-997086,SrAgO2,-5.4339396187,-1.830082899,0.0,-0.0683381387,GGA,C2/m,AB2C_mC16_12_ab_gi_f:Ag-O-Sr,8.0,AB2C_mC16_12_ab_gi_e:Ag-O-Sr +mp-997100,SrAgO2,-5.4232236412,-1.8193669215,0.0107159775,-0.0576221612,GGA,I4/mcm,AB2C_tI16_140_c_h_b:Ag-O-Sr,8.0,AB2C_tI16_140_c_h_b:Ag-O-Sr +mp-27352,Sr(Ag3O2)2,-4.3580470909,-0.8606303347,0.0,-0.0189752411,GGA,Pnna,A6B4C_oP44_52_ad2e_2e_c:Ag-O-Sr,44.0,"Invalid WP multiplicities - A6B4C_oP44_52_ad4e_7e_c:Ag-O-Sr, expected Sr(Ag5O7)2 to be Sr(Ag3O2)2" +mp-979294,SrAgO3,-5.262007024,-1.3895839059,0.11250443,0.11250443,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-O-Sr,5.0,AB3C_cP5_221_b_c_a:Ag-O-Sr +mp-554259,SrAgB7O12,-8.0455117386,-2.777032863,0.0,-0.0107452925,GGA,C2/c,AB7C12D_mC168_15_f_7f_2e11f_f:Ag-B-O-Sr,84.0,"Invalid WP multiplicities - AB7C12D_mC168_15_f_23f_4e43f_f:Ag-B-O-Sr, expected SrAgB23O45 to be SrAgB7O12" +mp-1211739,LaTl(WO4)2,-8.4481910329,-2.3824893328,0.0838918422,0.0838918422,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:La-O-Tl-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:La-O-Tl-W +mp-1208180,Y(AsO)2,-6.563324596,-1.4277075268,0.8402672601000001,0.8402672601000001,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:As-O-Y,20.0,A2B2C_tI40_141_h_h_c:As-O-Y +mp-8058,YAsO4,-7.9824799167,-2.8304225228,0.0,-0.2646989316,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:As-O-Y,12.0,AB4C_tI24_141_a_h_b:As-O-Y +mp-1208646,YMn2AsO4,-7.7338564222,-1.5793095538,0.8281022598000001,0.8281022598000001,GGA+U,Pban,AB2C4D_oP32_50_e_m_2m_f:As-Mn-O-Y,32.0,AB2C4D_oP32_50_e_m_2m_f:As-Mn-O-Y +mp-557792,HfSCl6O,-5.1261433658,-1.778193636,0.0,-0.0100806831,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:Cl-Hf-O-S,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_18e_e_e_e:Cl-Hf-O-S, expected HfSCl18O to be HfSCl6O" +mp-725917,HfSO6,-7.7310184953,-2.2592970998,0.037654286,0.037654286,GGA,Pnma,AB6C_oP32_62_c_2c2d_c:Hf-O-S,32.0,AB6C_oP32_62_c_2c2d_c:Hf-O-S +mp-1106113,HfSO7,-6.8695206106,-1.4561361799,0.5855983852000001,0.5855983852000001,GGA,C2/c,AB7C_mC36_15_e_e3f_e:Hf-O-S,18.0,AB7C_mC36_15_e_e3f_e:Hf-O-S +mp-1096995,HfSO,-9.2524490117,-2.9056731423,0.0608343637,0.0608343637,GGA,P4/nmm,ABC_tP6_129_c_a_c:Hf-O-S,6.0,ABC_tP6_129_c_a_c:Hf-O-S +mp-7787,HfSO,-9.3060567483,-2.959280879,0.0072266271,0.0072266271,GGA,P2_13,ABC_cP12_198_a_a_a:Hf-O-S,12.0,ABC_cP12_198_a_a_a:Hf-O-S +mp-650960,Hf(ClO4)4,-5.4511616579,-0.8560018936,0.0,-0.0214131692,GGA,Cc,A4BC16_mC84_9_4a_a_16a:Cl-Hf-O,42.0,"Invalid WP multiplicities - A4BC16_mC84_9_8a_a_32a:Cl-Hf-O, expected Hf(ClO4)8 to be Hf(ClO4)4" +mp-22035,KFe2S3,-6.0049454175,-0.9283135896,0.0,-0.005224333,GGA,Cmcm,A2BC3_oC24_63_e_c_cg:Fe-K-S,12.0,"Invalid WP multiplicities - A2BC3_oC24_63_e_c_c2g:Fe-K-S, expected KFe2S5 to be KFe2S3" +mp-541447,K3(FeS2)2,-5.0028028536,-0.9120207727,0.1422234131,0.1422234131,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Fe-K-S,36.0,A2B3C4_oP36_62_d_cd_2cd:Fe-K-S +mp-1201533,K9FeS7,-3.8710486781,-1.0817098074,0.1013910395,0.1013910395,GGA,P2_1/c,AB9C7_mP68_14_e_9e_7e:Fe-K-S,68.0,AB9C7_mP68_14_e_9e_7e:Fe-K-S +mp-14889,K9Fe2S7,-4.2746922068,-1.1697598729,0.0,-0.0251735548,GGA,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-K-S,72.0,"Invalid WP multiplicities - A2B9C7_cP72_198_2a_4a8b_a2b:Fe-K-S, expected K28Fe2S7 to be K9Fe2S7" +mp-1193931,K3FeS3,-4.5927181071,-1.1340655855,0.0,-0.0101845352,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Fe-K-S,28.0,AB3C3_mP28_14_e_3e_3e:Fe-K-S +mp-1204678,K7(FeS2)5,-5.2071674348,-1.0486493735,0.0,-0.0048934807,GGA,C2/c,A5B7C10_mC88_15_e2f_e3f_5f:Fe-K-S,44.0,A5B7C10_mC88_15_e2f_e3f_5f:Fe-K-S +mp-1070151,K(FeS)2,-6.140143452,-0.8754752319,0.0,-0.0370350829,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-K-S,5.0,A2BC2_tI10_139_d_a_e:Fe-K-S +mp-3827,KFeS2,-5.46491719,-1.0015872173,0.0040891905,0.0040891905,GGA,C2/c,ABC2_mC16_15_e_e_f:Fe-K-S,8.0,ABC2_mC16_15_e_e_f:Fe-K-S +mp-1225963,CsK(Fe2S3)2,-5.9928931325,-0.9341776858,0.0064086696,0.0064086696,GGA,Amm2,AB4CD6_oC24_38_a_f_b_abde:Cs-Fe-K-S,12.0,"Invalid WP multiplicities - AB4CD6_oC24_38_a_f_b_ab2de:Cs-Fe-K-S, expected CsK(FeS2)4 to be CsK(Fe2S3)2" +mp-1223464,KCrSnS4,-5.5298736957,-1.0557568758,0.0,-0.0274942346,GGA,Pm,ABC4D_mP7_6_a_a_2a2b_b:Cr-K-S-Sn,7.0,ABC4D_mP7_6_a_a_2a2b_b:Cr-K-S-Sn +mp-916323,K3Cr11S18,-6.8339870944,-1.0848990752,0.0203496291,0.0203496291,GGA,Cm,A11B3C18_mC64_8_11a_3a_18a:Cr-K-S,32.0,A11B3C18_mC64_8_11a_3a_18a:Cr-K-S +mp-654008,K3Cr11S18,-6.8470724853,-1.0979844661,0.0072642381,0.0072642381,GGA,C2/m,A11B3C18_mC64_12_a5i_di_9i:Cr-K-S,32.0,"Invalid WP multiplicities - A11B3C18_mC64_12_a7i_ci_18i:Cr-K-S, expected KCr5S12 to be K3Cr11S18" +mp-1189266,KCr3S5,-6.7565844161,-1.1174965615,0.0,-0.0062931739,GGA,C2/m,A3BC5_mC36_12_ac2i_i_5i:Cr-K-S,18.0,A3BC5_mC36_12_ad2i_i_5i:Cr-K-S +mp-1238840,K(CrS2)2,-6.132040345,-0.8517127229,0.2747723836,0.2499089279,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-K-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-K-S +mp-1238894,K(CrS2)2,-6.3849381129000005,-1.1046104908,0.0218746157,-0.0029888399,GGA,P2/m,A2BC4_mP7_10_ae_c_mn:Cr-K-S,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_ce_a_2mn:Cr-K-S, expected K(CrS3)2 to be K(CrS2)2" +mp-1238855,K(CrS2)2,-6.3164080329,-1.0360804108,0.0904046957,0.0655412401,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-K-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-K-S +mp-1238846,K(CrS2)2,-6.1258566443,-0.8455290222,0.2809560843,0.2560926287,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Cr-K-S,56.0,A2BC4_oP56_29_4a_2a_8a:Cr-K-S +mp-1238839,K(CrS2)2,-6.4068127286,-1.1264851065,0.0,-0.0248634556,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-K-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-K-S +mp-1238854,K(CrS2)2,-6.3414763643,-1.0611487422,0.0653363643,0.0404729087,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-K-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-K-S +mp-1238876,K(CrS2)2,-6.3273038568,-1.0469762347,0.0795088718,0.0546454162,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-K-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-K-S +mp-1238860,K(CrS2)2,-6.1748307414,-0.8945031194,0.2319819871,0.2071185315,GGA,I-42d,A2BC4_tI28_122_d_a_e:Cr-K-S,14.0,A2BC4_tI28_122_d_a_e:Cr-K-S +mp-1223898,K(CrS2)2,-6.2894396371,-1.0091120151,0.1173730914,0.0925096358,GGA,P-6m2,A2BC4_hP7_187_h_a_gi:Cr-K-S,7.0,"Invalid WP multiplicities - A2BC4_hP7_187_h_a_2gi:Cr-K-S, expected K(CrS3)2 to be K(CrS2)2" +mp-1238859,K(CrS2)2,-6.1625047429,-0.8821771208,0.2443079857,0.2194445301,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-K-S,14.0,A2BC4_cF56_227_c_b_e:Cr-K-S +mp-12178,KCr5S8,-6.9800182614,-1.0895014591,0.0,-0.01613002,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-K-S,14.0,"Invalid WP multiplicities - A5BC8_mC28_12_a3i_c_4i:Cr-K-S, expected KCr7S8 to be KCr5S8" +mp-4026,KCrS2,-5.946246675,-1.1871601373,0.0,-0.0433657087,GGA,R-3m,ABC2_hR12_166_a_b_c:Cr-K-S,4.0,ABC2_hR12_166_a_b_c:Cr-K-S +mp-554255,Ba3(PS4)2,-5.3893802065,-1.5682164551,0.0,-0.0288951169,GGA,P2_1/c,A3B2C8_mP52_14_3e_2e_8e:Ba-P-S,52.0,"Invalid WP multiplicities - A3B2C8_mP52_14_7e_3e_25e:Ba-P-S, expected Ba7P3S25 to be Ba3(PS4)2" +mp-561443,Ba3(PS4)2,-5.3784991131,-1.5573353617,0.0108810935,-0.0180140235,GGA,P-3m1,A3B2C8_hP13_164_ad_d_di:Ba-P-S,13.0,"Invalid WP multiplicities - A3B2C8_hP13_164_ad_d_d2i:Ba-P-S, expected Ba3(PS7)2 to be Ba3(PS4)2" +mp-11006,BaPS3,-5.4233915645,-1.475066155,0.0,-0.061421345,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ba-P-S,20.0,ABC3_mP20_14_e_e_3e:Ba-P-S +mp-1192526,CsBaPS4,-5.0320784379,-1.4930099684,0.0,-0.1009282389,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-Cs-P-S,28.0,ABCD4_oP28_62_c_c_c_2cd:Ba-Cs-P-S +mp-8235,K2SiP2,-4.178351901,-0.4838077135,0.0,-0.153850827,GGA,Ibam,A2B2C_oI20_72_j_j_a:K-P-Si,10.0,A2B2C_oI20_72_j_j_a:K-P-Si +mp-541694,K2Na3SiP3,-3.5152557514,-0.420411382,0.0,-0.0041646281,GGA,Pnma,A2B3C3D_oP36_62_2c_3c_3c_c:K-Na-P-Si,36.0,A2B3C3D_oP36_62_2c_3c_3c_c:K-Na-P-Si +mp-975361,RbErO3,-6.397034038,-2.3193702348,0.248216991,0.248216991,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Er-O-Rb,5.0,AB3C_cP5_221_b_c_a:Er-O-Rb +mp-757116,Rb3ErO3,-5.41799837,-2.2252287755,0.01496816,0.01496816,GGA,C2/m,AB3C3_mC28_12_i_ij_ghi:Er-O-Rb,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2i3j_2g2hi:Er-O-Rb, expected Rb5ErO8 to be Rb3ErO3" +mp-756812,Rb3ErO3,-5.4279210404,-2.2351514459,0.0050454896,0.0050454896,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Er-O-Rb,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Er-O-Rb, expected Rb9ErO9 to be Rb3ErO3" +mp-7477,RbErO2,-6.93055786,-3.0701502837,0.0,-0.0755379931,GGA,R-3m,AB2C_hR12_166_a_c_b:Er-O-Rb,4.0,AB2C_hR12_166_a_c_b:Er-O-Rb +mp-1209674,RbErS2O9,-6.7026742906,-2.2148780585,0.141970191,0.141970191,GGA,P2_1/c,AB9CD2_mP52_14_e_9e_e_2e:Er-O-Rb-S,52.0,AB9CD2_mP52_14_e_9e_e_2e:Er-O-Rb-S +mp-1207372,RbEr3O6,-4.342101846,0.094280431,3.4070027805,3.4070027805,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Er-O-Rb,10.0,A3B6C_oC20_65_de_kp_a:Er-O-Rb +mp-756457,ErNbO4,-9.2968977892,-3.5542680067,0.0241096358,-0.0930108602,GGA,P2/c,ABC4_mP12_13_e_f_2g:Er-Nb-O,12.0,"Invalid WP multiplicities - ABC4_mP12_13_e_f_5g:Er-Nb-O, expected ErNbO10 to be ErNbO4" +mp-5370,ErNbO4,-9.321007425,-3.5783776425,0.0,-0.117120496,GGA,C2/c,ABC4_mC24_15_e_e_2f:Er-Nb-O,12.0,ABC4_mC24_15_e_e_2f:Er-Nb-O +mp-1213215,ErNbO2,-8.6131281344,-2.4725278163,0.635707374,0.635707374,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:Er-Nb-O,16.0,ABC2_tI32_141_c_d_h:Er-Nb-O +mp-1202070,Er2Nb2S7O30,-7.3058745722,-2.2645609599,0.0148724764,0.0148724764,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Er-Nb-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Er-Nb-O-S +mp-756393,Er2Nb2O7,-9.2161225455,-3.4011344837,0.0935182162,0.0935182162,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Er-Nb-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a3f:Er-Nb-O, expected ErNbO10 to be Er2Nb2O7" +mp-1214437,Ce2WO6,-9.3046433419,-3.2485943633,0.0501180753,0.0501180753,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Ce-O-W,36.0,A2B6C_mC72_15_2ef_6f_f:Ce-O-W +mp-1213863,Ce2WO6,-9.2381085094,-3.1820595308,0.1166529078,0.1166529078,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ce-O-W,18.0,A2B6C_tP18_136_e_fj_a:Ce-O-W +mp-778675,Ce(WO4)2,-9.0676836818,-2.5746964723,0.0909810284,0.0909810284,GGA+U,C2/c,AB8C2_mC44_15_e_4f_f:Ce-O-W,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_15f_f:Ce-O-W, expected Ce(WO15)2 to be Ce(WO4)2" +mp-778015,Ce(WO4)2,-9.0451885005,-2.5522012909000003,0.1134762098,0.1134762098,GGA+U,Pbca,AB8C2_oP88_61_c_8c_2c:Ce-O-W,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_29c_5c:Ce-O-W, expected CeW5O29 to be Ce(WO4)2" +mp-770752,Ce(WO4)2,-9.055948098,-2.5629608884,0.1027166123,0.1027166123,GGA+U,P2_13,AB8C2_cP44_198_a_2a2b_2a:Ce-O-W,44.0,"Invalid WP multiplicities - AB8C2_cP44_198_a_5a24b_5a:Ce-O-W, expected CeW5O77 to be Ce(WO4)2" +mp-17686,Ce2(WO4)3,-9.1713747344,-2.6948551147,0.0829643301,0.0829643301,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Ce-O-W,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_7f_ef:Ce-O-W, expected Ce2W3O14 to be Ce2(WO4)3" +mp-1204806,CeBiW2O9,-8.61869647,-2.4486936126,0.0489459905,0.0489459905,GGA+U,C2/c,ABC9D2_mC104_15_f_f_2e8f_2f:Bi-Ce-O-W,52.0,ABC9D2_mC104_15_f_f_2e8f_2f:Bi-Ce-O-W +mp-1209035,ScNF4,-5.7572687858,-2.0381221358,0.8274988446,0.8274988446,GGA,Cmcm,A4BC_oC24_63_acf_c_b:F-N-Sc,12.0,A4BC_oC24_63_acf_c_b:F-N-Sc +mp-1246174,Na3ScN2,-5.0348906904,-0.5393848845,0.24093693,0.24093693,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Sc,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Sc +mp-1179550,Sc(NF2)3,-5.03440536,-0.7533225915,0.9660499967,0.9660499967,GGA,P1,A6B3C_aP10_1_6a_3a_a:F-N-Sc,10.0,A6B3C_aP10_1_6a_3a_a:F-N-Sc +mp-1398032,Sc(NF2)3,-0.961900167,3.3191826015,5.0385551897,5.0385551897,GGA,P1,A6B3C_aP10_1_6a_3a_a:F-N-Sc,10.0,A6B3C_aP10_1_6a_3a_a:F-N-Sc +mp-1179554,Sc(NF2)3,-5.023878876,-0.7427961075,0.9765764807,0.9765764807,GGA,Cm,A6B3C_mC20_8_4ab_ab_a:F-N-Sc,10.0,"Invalid WP multiplicities - A6B3C_mC20_8_4a2b_ab_a:F-N-Sc, expected ScN3F8 to be Sc(NF2)3" +mp-1209230,Sc(NF2)3,-5.052555686,-0.7714729175,0.9478996707,0.9478996707,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-N-Sc,20.0,A6B3C_mP20_14_3e_ae_d:F-N-Sc +mp-1190277,Sc(NF2)3,-4.7561806335,-0.475097865,1.2442747232,1.2442747232,GGA,P4/mnc,A6B3C_tP20_128_eh_ad_b:F-N-Sc,20.0,A6B3C_tP20_128_eh_ad_b:F-N-Sc +mp-1078490,Sc(NF2)3,-4.713873323,-0.4327905545,1.2865820337,1.2865820337,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-N-Sc,10.0,A6B3C_cF40_225_e_ac_b:F-N-Sc +mp-1205783,NaSc(NF3)2,-4.835301361,-1.2556155557,1.0653584582,1.0653584582,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-N-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:F-N-Na-Sc +mp-1209638,Sc3N5F14,-5.4616682959,-1.4870961375,0.8575028465000001,0.8575028465000001,GGA,P4/mnc,A14B5C3_tP44_128_ehi_ag_bc:F-N-Sc,44.0,A14B5C3_tP44_128_ehi_ag_bc:F-N-Sc +mp-1209107,Sc3NF10,-6.6051669904,-3.2874032821,0.3969665498,0.3969665498,GGA,P222_1,A10BC3_oP28_17_ac4e_d_2ab:F-N-Sc,28.0,A10BC3_oP28_17_ac4e_d_2ab:F-N-Sc +mp-1044611,Ba2YTi2F11,-6.6992362094,-3.7541316051,0.1523324147,0.1523324147,GGA,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-Ti-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-Ti-Y, expected Ba5YTi5F31 to be Ba2YTi2F11" +mp-1047530,YTi3F15,-6.7637780432,-3.6677184813,0.1761323425,0.1761323425,GGA,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Ti-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Ti-Y, expected YTi6F54 to be YTi3F15" +mp-1399262,YTiF5,-7.0907933314000005,-3.6737421932,0.2551287814,0.2551287814,GGA,Immm,A5BC_oI14_71_ceg_b_a:F-Ti-Y,7.0,A5BC_oI14_71_ceg_b_a:F-Ti-Y +mp-1203212,Yb(NO3)3,-6.7343706258000005,-1.2675020522,0.0,-0.2027362422,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:N-O-Yb,,A3B9C_mP52_14_3e_9e_e:N-O-Yb +mp-1208133,Yb6N8O33,-6.1238580919,-1.035127527,0.4147107448,0.4147107448,GGA,P-1,A8B33C6_aP47_2_4i_a16i_3i:N-O-Yb,,A8B33C6_aP47_2_4i_a16i_3i:N-O-Yb +mp-1212254,Li3Yb(NO3)6,-6.5615186171,-1.3355992159,0.0,-0.0036076708,GGA,P2_1/c,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Yb,,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Yb +mp-1202015,Yb(NO4)3,-6.0848852159,-0.7155503666,0.3142950509,0.3142950509,GGA,R-3,A3B12C_hR96_148_f_4f_c:N-O-Yb,,A3B12C_hR96_148_f_4f_c:N-O-Yb +mp-1201991,YbN3O14,-5.7633229317,-0.4409487643,0.4744693845,0.4744693845,GGA,P-1,A3B14C_aP36_2_3i_14i_i:N-O-Yb,,A3B14C_aP36_2_3i_14i_i:N-O-Yb +mp-1208095,YbN7O15,-6.2685701588,-0.4383352274,0.5469552964000001,0.5469552964000001,GGA,P3_1,A7B15C_hP69_144_7a_15a_a:N-O-Yb,,"Invalid WP multiplicities - A7B15C_hP69_152_2ab4c_a14c_a:N-O-Yb, expected YbN11O29 to be YbN7O15" +mp-1047748,TiAl(WO4)2,-8.9422544408,-2.5146846078,0.2120944129,0.2120944129,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Ti-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Ti-W +mp-1047613,TiAl(WO4)2,-9.0656806917,-2.6381108586,0.0886681621,0.0886681621,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Ti-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Ti-W +mp-1093645,Ti2AlW,-4.53069031,3.5929822133,3.846980845,3.8342967825,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ti-W,4.0,AB2C_oI8_71_a_e_b:Al-Ti-W +mp-1187418,Ti2AlW,-8.377671155,-0.2539986317,0.0,-0.0126840625,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ti-W,4.0,AB2C_cF16_225_a_c_b:Al-Ti-W +mp-1205881,LaNb2HO7,-8.2562015673,-2.5145502756,0.5671139482,0.5671139482,GGA,P4/mmm,ABC2D7_tP11_123_b_a_h_chi:H-La-Nb-O,11.0,ABC2D7_tP11_123_b_a_h_chi:H-La-Nb-O +mp-626528,NbHO3,-8.130934746,-2.4641153022,0.045080743,0.045080743,GGA,P1,ABC3_aP20_1_4a_4a_12a:H-Nb-O,20.0,ABC3_aP20_1_4a_4a_12a:H-Nb-O +mp-626536,NbHO3,-8.097281327,-2.4304618833,0.078734162,0.078734162,GGA,P1,ABC3_aP20_1_4a_4a_12a:H-Nb-O,20.0,ABC3_aP20_1_4a_4a_12a:H-Nb-O +mp-673347,NbHO3,-3.3107647795,2.3560546643,4.8652507095,4.8652507095,GGA,P1,ABC3_aP20_1_4a_4a_12a:H-Nb-O,20.0,ABC3_aP20_1_4a_4a_12a:H-Nb-O +mp-33932,NbHO3,-8.1423779355,-2.4755584917,0.0336375535,0.0336375535,GGA,P1,ABC3_aP20_1_4a_4a_12a:H-Nb-O,20.0,ABC3_aP20_1_4a_4a_12a:H-Nb-O +mp-1372548,NbHO3,-4.2175644135,1.4492550302,3.9584510755,3.9584510755,GGA,P1,ABC3_aP20_1_4a_4a_12a:H-Nb-O,20.0,ABC3_aP20_1_4a_4a_12a:H-Nb-O +mp-1222283,LuSc(BO3)2,-8.893595147,-3.5043616036,0.0,-0.0004781975,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Lu-O-Sc,10.0,A2BC6D_hR30_148_c_a_f_b:B-Lu-O-Sc +mp-1195691,GdBe2B5O11,-8.8442215978,-3.0881435637,0.0,-0.0265931409,GGA,Pna2_1,A5B2CD11_oP76_33_5a_2a_a_11a:B-Be-Gd-O,76.0,A5B2CD11_oP76_33_5a_2a_a_11a:B-Be-Gd-O +mp-1079124,Be2BO5,-6.9665159800000005,-2.1050583479,0.3213187788,0.3213187788,GGA,C2,AB2C5_mC16_5_a_c_a2c:B-Be-O,8.0,AB2C5_mC16_5_a_c_a2c:B-Be-O +mp-736232,Be2BO4,-7.5400002977,-2.690718534,0.0822838965,0.0822838965,GGA,Pbca,AB2C4_oP56_61_c_2c_4c:B-Be-O,56.0,AB2C4_oP56_61_c_2c_4c:B-Be-O +mp-727023,Be(BO2)4,-7.8754436402,-2.4884828988,0.1419156213,0.1419156213,GGA,P2_1/c,A4BC8_mP52_14_4e_e_8e:B-Be-O,52.0,A4BC8_mP52_14_4e_e_8e:B-Be-O +mp-1183422,BeBO3,-6.053136558,-1.0013624041,1.6394442188,1.6394442188,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Be-O,5.0,ABC3_cP5_221_b_a_c:B-Be-O +mp-1213345,LiEu6B3O14,-9.4445404304,-3.0802591414,0.0007663004,0.0007663004,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Eu-Li-O,96.0,A3B6CD14_mP96_14_3e_6e_e_14e:B-Eu-Li-O +mp-1211786,Li6Eu(BO3)3,-7.2516686236,-2.7111995334,0.0,-0.0106602583,GGA,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Eu-Li-O,76.0,A3BC6D9_mP76_14_3e_e_6e_9e:B-Eu-Li-O +mp-1098016,Li3Eu2(BO3)3,-8.04021251,-2.6990862798,0.1859743349,0.1859743349,GGA,P2_1,A3B2C3D9_mP34_4_3a_2a_3a_9a:B-Eu-Li-O,34.0,A3B2C3D9_mP34_4_3a_2a_3a_9a:B-Eu-Li-O +mp-1196670,Li3Eu2(BO3)3,-8.0216868779,-2.6805606477,0.204499967,0.204499967,GGA,P2_1,A3B2C3D9_mP34_4_3a_2a_3a_9a:B-Eu-Li-O,34.0,A3B2C3D9_mP34_4_3a_2a_3a_9a:B-Eu-Li-O +mp-1208862,SmMg(BO2)5,-8.349147393700001,-3.1031055024,0.0,-0.0068365128,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Sm,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Sm +mp-17832,RbBaPO4,-7.04247053,-3.0282467637,0.0,-0.0368134429,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Ba-O-P-Rb,28.0,AB4CD_oP28_62_c_2cd_c_c:Ba-O-P-Rb +mp-567719,Pr10(B3C4)3,-7.3363027467,-0.2825101855,0.0349721934,0.0349721934,GGA,P4_12_12,A9B12C10_tP124_92_a4b_6b_5b:B-C-Pr,124.0,"Invalid WP multiplicities - A9B12C10_tP124_92_4a27b_42b_35b:B-C-Pr, expected Pr35B29C42 to be Pr10(B3C4)3" +mp-1221234,Pr25(B7C13)2,-7.2054734634,-0.2365591331,0.0308527862,0.0308527862,GGA,P2_1/c,A14B26C25_mP130_14_7e_13e_a12e:B-C-Pr,130.0,A14B26C25_mP130_14_7e_13e_a12e:B-C-Pr +mp-570767,PrBC,-7.2353570445,-0.3390360384,0.0023412277,0.0023412277,GGA,P2_12_12_1,ABC_oP60_19_5a_5a_5a:B-C-Pr,60.0,"Invalid WP multiplicities - ABC_oP60_19_18a_15a_17a:B-C-Pr, expected Pr17(B6C5)3 to be PrBC" +mp-1209526,PrBPt2,-6.8049749783,-0.9043339369,0.0,-0.0537267335,GGA,P6_222,ABC2_hP12_180_d_c_i:B-Pr-Pt,12.0,ABC2_hP12_180_d_c_i:B-Pr-Pt +mp-1078268,Pr2BC,-6.642959405,-0.2754922117,0.0,-0.0212151829,GGA,C2/m,ABC2_mC16_12_i_i_2i:B-C-Pr,8.0,ABC2_mC16_12_i_i_2i:B-C-Pr +mp-13483,PrBPt4,-6.7258693350000005,-0.768397534,0.0,-0.0415859833,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Pr-Pt,12.0,"Invalid WP multiplicities - ABC4_hP12_191_c_ab_2d2i:B-Pr-Pt, expected PrBPt8 to be PrBPt4" +mp-571510,Pr5B2C5,-7.1758531862,-0.2252998713,0.0104255664,0.0104255664,GGA,P4/ncc,A2B5C5_tP48_130_f_cg_cg:B-C-Pr,48.0,"Invalid WP multiplicities - A2B5C5_tP48_130_f_2c3g_2c3g:B-C-Pr, expected Pr7BC7 to be Pr5B2C5" +mp-12986,PrB2Pt2C,-7.1920450717,-0.6069415001,0.030149389,0.030149389,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Pr-Pt,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Pr-Pt +mp-10853,Pr(BC)2,-7.713489366,-0.3940853097,0.0,-0.077406758,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Pr,10.0,A2B2C_tP10_127_g_g_b:B-C-Pr +mp-1095117,Pr(BC)2,-7.58226557,-0.2628615137,0.131223796,0.053817038,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Pr,10.0,A2B2C_tP10_131_j_l_f:B-C-Pr +mp-11596,PrBPt3,-6.784278456,-0.8495389588000001,0.0,-0.0267668637,GGA,P4mm,ABC3_tP5_99_a_b_ac:B-Pr-Pt,5.0,"Invalid WP multiplicities - ABC3_tP5_99_a_b_a2c:B-Pr-Pt, expected PrBPt5 to be PrBPt3" +mp-14678,Y3Sc2Al3O12,-8.9420729189,-3.8090057401,0.0,-0.0113606805,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Y,80.0,A3B12C2D3_cI160_230_d_h_a_c:Al-O-Sc-Y +mp-768572,YAl3O6,-8.2520250875,-3.5136920004,0.0837667247,0.0837667247,GGA,C2/c,A3B6C_mC40_15_ef_3f_e:Al-O-Y,20.0,"Invalid WP multiplicities - A3B6C_mC40_15_2e3f_11f_e:Al-O-Y, expected YAl8O22 to be YAl3O6" +mp-1097418,YScAl2,-2.6670473775,2.4054755921,2.842087032,2.842087032,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Sc-Y,4.0,A2BC_oI8_71_e_a_b:Al-Sc-Y +mp-3792,YAlO3,-8.7319481845,-3.7215255691,0.0188358381,0.0188358381,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-O-Y,20.0,AB3C_oP20_62_a_cd_c:Al-O-Y +mp-756705,YAlO3,-8.6903464957,-3.6799238803,0.0604375269,0.0604375269,GGA,Cmcm,AB3C_oC60_63_cg_cfgh_ae:Al-O-Y,30.0,"Invalid WP multiplicities - AB3C_oC60_63_cg_2cf2gh_ae:Al-O-Y, expected YAlO4 to be YAlO3" +mp-756214,YAlO3,-8.704976543,-3.6945539276,0.0458074796,0.0458074796,GGA,R-3c,AB3C_hR30_167_b_e_a:Al-O-Y,10.0,AB3C_hR30_167_b_e_a:Al-O-Y +mp-7964,YAlO3,-8.648558362,-3.6381357466,0.1022256606,0.1022256606,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Al-O-Y,10.0,AB3C_hP10_194_c_bf_a:Al-O-Y +mp-3050,Y3Al5O12,-8.5569087468,-3.6825308955,0.0,-0.0345581226,GGA,Ia-3d,A5B12C3_cI160_230_ad_h_c:Al-O-Y,80.0,A5B12C3_cI160_230_ad_h_c:Al-O-Y +mp-5409,Y4Al2O9,-8.9975941988,-3.8057785645,0.0116901915,0.0116901915,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Y,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_2e_12e_4e:Al-O-Y, expected Y2AlO6 to be Y4Al2O9" +mp-560927,Y4Al2O9,-8.9946522253,-3.802836591,0.014632165,0.014632165,GGA,P2_1/c,A2B9C4_mP60_14_2e_9e_4e:Al-O-Y,60.0,"Invalid WP multiplicities - A2B9C4_mP60_14_3e_34e_12e:Al-O-Y, expected Y12Al3O34 to be Y4Al2O9" +mp-754979,Y3AlO6,-9.1199802675,-3.8374681237,0.0185543066,0.0185543066,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Al-O-Y,20.0,"Invalid WP multiplicities - AB6C3_oC40_36_a_3a4b_a2b:Al-O-Y, expected Y5AlO11 to be Y3AlO6" +mp-1101169,Y3AlO6,-9.0863979855,-3.8038858417,0.0521365887,0.0521365887,GGA,R-3,AB6C3_hR60_148_ab_2f_f:Al-O-Y,20.0,"Invalid WP multiplicities - AB6C3_hR60_148_ab_7f_f:Al-O-Y, expected Y3AlO21 to be Y3AlO6" +mp-560729,K3Zr4Ag2F23,-6.1158042859,-3.3923315478,0.0016369105,0.0016369105,GGA,P2_1/c,A2B23C3D4_mP64_14_e_a11e_be_2e:Ag-F-K-Zr,64.0,"Invalid WP multiplicities - A2B23C3D4_mP64_14_e_2a44e_2d2e_5e:Ag-F-K-Zr, expected K3Zr5AgF45 to be K3Zr4Ag2F23" +mp-989197,GeClF,-4.44478566,-1.6504378325,0.1371146329,0.1371146329,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-F-Ge,6.0,ABC_tP6_129_c_a_c:Cl-F-Ge +mp-557432,GeClO2F5,-4.6938983361,-1.8136386944,0.0,-0.0593518796,GGA,C222_1,AB5CD2_oC72_20_2a_ab4c_c_2c:Cl-F-Ge-O,36.0,"Invalid WP multiplicities - AB5CD2_oC72_20_4a_2a2b12c_c_5c:Cl-F-Ge-O, expected GeCl2O5F14 to be GeClO2F5" +mp-1112330,K2BiAuF6,-4.416756535,-2.3363522521,0.2309505155,0.2309505155,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Bi-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Bi-F-K +mp-554121,NaHf2VF11,-7.2510776907,-3.8279391529,0.0,-0.012652703,GGA+U,C2/m,A11B2CD_mC30_12_bh2ij_i_c_a:F-Hf-Na-V,15.0,A11B2CD_mC30_12_ah2ij_i_c_b:F-Hf-Na-V +mp-557938,HfVF6,-7.5916456362,-3.7778995231,0.0,-0.0734482233,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Hf-V,8.0,A6BC_cF32_225_e_a_b:F-Hf-V +mp-30208,YCuP2,-6.2177691025,-0.8696984033,0.0,-0.0148231834,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-P-Y,8.0,AB2C_tP8_129_a_bc_c:Cu-P-Y +mp-1216350,Y6Cu15P16,-5.3942987459000005,-0.3429536963,0.2393662712,0.2393662712,GGA,Pm,A15B16C6_mP37_6_7a8b_8a8b_3a3b:Cu-P-Y,37.0,A15B16C6_mP37_6_7a8b_8a8b_3a3b:Cu-P-Y +mp-1207692,Y(ZnP)3,-4.392000215,-0.6083417202,0.0,-0.0093700018,GGA,P6_3/mmc,A3BC3_hP14_194_cf_a_df:P-Y-Zn,14.0,A3BC3_hP14_194_cf_a_df:P-Y-Zn +mp-1215705,YZnCuP2,-5.3043756,-0.7739703187,0.0,-0.0310283224,GGA,P3m1,AB2CD_hP5_156_a_ab_c_b:Cu-P-Y-Zn,5.0,AB2CD_hP5_156_a_ab_c_b:Cu-P-Y-Zn +mp-1222811,LaY(B2Rh3)2,-7.5365172967,-0.6776929199,0.021546095,0.021546095,GGA,Pmmm,A4BC6D_oP12_47_ij_a_fgx_d:B-La-Rh-Y,12.0,"Invalid WP multiplicities - A4BC6D_oP12_47_2ij_a_fgx_d:B-La-Rh-Y, expected LaY(BRh)6 to be LaY(B2Rh3)2" +mp-1209530,Rb2UBr5,-4.5964884809,-1.9692860053,0.0,-0.02791995,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-Rb-U,32.0,A5B2C_oP32_62_3cd_d_c:Br-Rb-U +mp-571265,Rb2UBr6,-4.5019806022,-1.9941308094,0.0,-0.057151,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Br-Rb-U,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_4e4h_d_a:Br-Rb-U, expected Rb2UBr24 to be Rb2UBr6" +mp-567573,Rb2UBr6,-4.4979049611,-1.9900551683,0.0040756411,-0.0530753589,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Rb-U,9.0,A6B2C_cF36_225_e_c_a:Br-Rb-U +mp-27536,UBrO2,-8.875102435,-3.1906484944,0.0,-0.0592850803,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Br-O-U,8.0,AB2C_oC16_63_c_2c_c:Br-O-U +mp-1193525,UBrO5,-7.3568650618,-1.9885962195,0.1592750124,0.1592750124,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Br-O-U,28.0,AB5C_mP28_14_e_5e_e:Br-O-U +mp-1210099,UBrO5,-7.3569663737,-1.9886975314,0.1591737004,0.1591737004,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Br-O-U,56.0,AB5C_mP56_14_2e_10e_2e:Br-O-U +mp-1207307,U2Br2O,-7.22755926,-1.1004461818,0.9641127098,0.9641127098,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-U,5.0,A2BC2_tP5_123_g_a_g:Br-O-U +mp-1179290,UBr4O9,-5.2400756879,-0.8098098499,0.3889610132,0.3889610132,GGA,P-1,A4B9C_aP28_2_4i_9i_i:Br-O-U,28.0,A4B9C_aP28_2_4i_9i_i:Br-O-U +mp-1193874,UBr4O9,-5.1320140504,-0.7017482124000001,0.4970226507,0.4970226507,GGA,P-1,A4B9C_aP28_2_4i_9i_i:Br-O-U,28.0,A4B9C_aP28_2_4i_9i_i:Br-O-U +mp-1102786,Rb2U(BrO)4,-5.1040378827,-1.5357336718,0.5831589342,0.5831589342,GGA,P-1,A4B4C2D_aP11_2_2i_2i_i_a:Br-O-Rb-U,11.0,A4B4C2D_aP11_2_2i_2i_i_a:Br-O-Rb-U +mp-1237078,Rb2U(BrO)4,-5.1177386518,-1.5494344409,0.5694581652,0.5694581652,GGA,P-1,A4B4C2D_aP11_2_2i_2i_i_a:Br-O-Rb-U,11.0,A4B4C2D_aP11_2_2i_2i_i_a:Br-O-Rb-U +mp-1193512,Cu3(I3O10)2,-4.8466925397,-0.706292804,0.0864244302,0.0864244302,GGA,P-1,A3B6C20_aP29_2_ai_3i_10i:Cu-I-O,29.0,A3B6C20_aP29_2_ai_3i_10i:Cu-I-O +mp-1206488,Pb2IO2,-4.945296946,-1.1868893635,0.1313961332,0.1313961332,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:I-O-Pb,5.0,AB2C2_tI10_139_a_d_e:I-O-Pb +mp-1192231,CuIO4,-5.0534694833,-0.8269148392000001,0.0,-0.0245055301,GGA,Pnma,ABC4_oP24_62_a_c_2cd:Cu-I-O,24.0,ABC4_oP24_62_a_c_2cd:Cu-I-O +mp-1199242,Pb(IO3)2,-5.0968364272,-1.0591128675,0.0043071706,-0.1176222419,GGA,P-1,A2B6C_aP36_2_4i_12i_2i:I-O-Pb,36.0,A2B6C_aP36_2_4i_12i_2i:I-O-Pb +mp-28857,Pb(IO3)2,-5.1011435978,-1.0634200381,0.0,-0.1219294124,GGA,Pbcn,A2B6C_oP36_60_d_3d_c:I-O-Pb,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_d_4d_c:I-O-Pb, expected Pb(IO4)2 to be Pb(IO3)2" +mp-1195238,CuPb2I3O2,-4.0181084441,-0.7883612838,0.2492095886,0.2492095886,GGA,Fddd,AB3C2D2_oF256_70_2e_3h_2h_2h:Cu-I-O-Pb,64.0,AB3C2D2_oF256_70_2e_3h_2h_2h:Cu-I-O-Pb +mp-27234,Cu(IO3)2,-4.9189169317,-0.8382423053,0.0,-0.0282700125,GGA,P2_1,AB2C6_mP18_4_a_2a_6a:Cu-I-O,18.0,AB2C6_mP18_4_a_2a_6a:Cu-I-O +mp-556582,Cu(IO3)2,-4.9174743728,-0.8367997464,0.0014425589,-0.0268274536,GGA,P2_1/m,AB2C6_mP18_11_a_2e_2e2f:Cu-I-O,18.0,"Invalid WP multiplicities - AB2C6_mP18_11_a_3e_3e5f:Cu-I-O, expected CuI3O13 to be Cu(IO3)2" +mp-1181983,Cu2IO8,-4.6561820291,-0.17933754,0.4612279142,0.4612279142,GGA,P2_1,A2BC8_mP22_4_2a_a_8a:Cu-I-O,22.0,A2BC8_mP22_4_2a_a_8a:Cu-I-O +mp-1190743,Cu2IO8,-4.8004005032,-0.3235560141,0.3170094401,0.3170094401,GGA,P2_1,A2BC8_mP22_4_2a_a_8a:Cu-I-O,22.0,A2BC8_mP22_4_2a_a_8a:Cu-I-O +mp-1095489,Cu2IO3,-4.7899955833,-0.7046879460000001,0.1147340649,0.1147340649,GGA,P2_1/m,A2BC3_mP12_11_ae_e_ef:Cu-I-O,12.0,A2BC3_mP12_11_ae_e_ef:Cu-I-O +mp-1195077,Pb3(IO6)2,-5.2878714675000005,-0.9675809707,0.0544044238,0.0544044238,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:I-O-Pb,68.0,A2B12C3_mP68_14_2e_12e_3e:I-O-Pb +mp-1102199,PbIO,-4.1710713358,-0.7935039588,0.3881764087,0.3881764087,GGA,Pnma,ABC_oP12_62_c_c_c:I-O-Pb,12.0,ABC_oP12_62_c_c_c:I-O-Pb +mp-619661,Pb3(IO)2,-4.7226095604000005,-1.2971736557,0.0,-0.0481188596,GGA,Pnma,A2B2C3_oP28_62_2c_d_3c:I-O-Pb,28.0,"Invalid WP multiplicities - A2B2C3_oP28_62_6c_d_7c:I-O-Pb, expected Pb7(I3O)2 to be Pb3(IO)2" +mp-1194357,NdB4ClO8,-7.895416485,-2.6877192803,0.1144176727,0.1144176727,GGA,Cc,A4BCD8_mC56_9_4a_a_a_8a:B-Cl-Nd-O,28.0,A4BCD8_mC56_9_4a_a_a_8a:B-Cl-Nd-O +mp-1211058,Nd5(BO3)4,-8.4561397202,-3.2219221592,0.1664513462,0.1664513462,GGA,Pnma,A4B5C12_oP84_62_2cd_c2d_2c5d:B-Nd-O,84.0,A4B5C12_oP84_62_2cd_c2d_2c5d:B-Nd-O +mp-1194942,Nd2B8O15,-8.5618111278,-3.0749407398,0.0256494638,0.0256494638,GGA,P2/c,A8B2C15_mP50_13_4g_g_e7g:B-Nd-O,50.0,A8B2C15_mP50_13_4g_g_e7g:B-Nd-O +mp-13514,NdBO3,-8.7238331995,-3.4663121321,0.0,-0.0881866709,GGA,P-1,ABC3_aP20_2_2i_2i_6i:B-Nd-O,20.0,ABC3_aP20_2_2i_2i_6i:B-Nd-O +mp-7238,NdBO3,-8.7158639875,-3.4583429201,0.007969212,-0.0802174589,GGA,Pnma,ABC3_oP20_62_c_c_cd:B-Nd-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_c2d:B-Nd-O, expected NdBO5 to be NdBO3" +mp-1200214,Nd(BO2)9,-7.9472278917,-2.4499753855,0.1836897439,0.1836897439,GGA,P2_1/c,A9BC18_mP112_14_9e_e_18e:B-Nd-O,112.0,A9BC18_mP112_14_9e_e_18e:B-Nd-O +mp-1203797,Nd13(B2O13)2,-8.6444025779,-3.5905097826,0.0014431327,0.0014431327,GGA,P2_1/c,A4B13C26_mP86_14_2e_a6e_13e:B-Nd-O,86.0,A4B13C26_mP86_14_2e_a6e_13e:B-Nd-O +mp-1202140,NdB7ClO18,-7.4033476555,-2.1287986447,0.145871417,0.145871417,GGA,P2_1/c,A7BCD18_mP108_14_7e_e_e_18e:B-Cl-Nd-O,108.0,A7BCD18_mP108_14_7e_e_e_18e:B-Cl-Nd-O +mp-3615,Nd(BO2)3,-8.6127082075,-3.1640627063,0.0119701267,-0.0238934011,GGA,C2/c,A3BC6_mC40_15_ef_e_3f:B-Nd-O,20.0,"Invalid WP multiplicities - A3BC6_mC40_15_2e2f_e_4f:B-Nd-O, expected Nd(B3O4)2 to be Nd(BO2)3" +mp-645340,Nd(BO2)3,-8.6246783342,-3.1760328329,0.0,-0.0358635278,GGA,Pnma,A3BC6_oP160_62_6d_4c_6c9d:B-Nd-O,160.0,"Invalid WP multiplicities - A3BC6_oP160_62_42d_14c_24c67d:B-Nd-O, expected Nd7B42O79 to be Nd(BO2)3" +mp-1245549,Bi4S3N2,-5.2016794178,-0.2634243099,0.1053442778,0.1053442778,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Bi-N-S,9.0,A4B2C3_mC18_12_2i_i_ai:Bi-N-S +mp-1246658,Bi4S3N2,-5.1117022589,-0.173447151,0.1953214367,0.1953214367,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Bi-N-S,18.0,A4B2C3_oP18_58_2g_g_ag:Bi-N-S +mp-1245548,Bi4S3N2,-5.1189400231,-0.1806849152,0.1880836725,0.1880836725,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Bi-N-S,36.0,A4B2C3_oP36_62_2cd_d_cd:Bi-N-S +mp-557484,BiS4N3Cl4,-4.8350214967,-0.4358614956,0.1112411701,0.1112411701,GGA,P-1,AB4C3D4_aP24_2_i_4i_3i_4i:Bi-Cl-N-S,24.0,"Invalid WP multiplicities - AB4C3D4_aP24_2_i_8i_5i_8i:Bi-Cl-N-S, expected BiS8N5Cl8 to be BiS4N3Cl4" +mp-1203640,Bi2(NCl3)3,-3.2019903775,0.3213876921,1.1238434629,1.1238434629,GGA,Pnma,A2B9C3_oP56_62_2c_3c3d_3c:Bi-Cl-N,56.0,A2B9C3_oP56_62_2c_3c3d_3c:Bi-Cl-N +mp-1194053,Bi2(NCl3)3,-3.2186760446,0.304702025,1.1071577957,1.1071577957,GGA,P6_3/mmc,A2B9C3_hP28_194_f_hk_bf:Bi-Cl-N,28.0,A2B9C3_hP28_194_f_hk_bf:Bi-Cl-N +mp-1191175,K2Fe(PSe3)2,-4.6084756114,-0.7454853402,0.0827676617,0.0827676617,GGA,P2_1/c,AB2C2D6_mP22_14_a_e_e_3e:Fe-K-P-Se,22.0,AB2C2D6_mP22_14_a_e_e_3e:Fe-K-P-Se +mp-1206409,K(FeP)2,-6.293742844,-0.5183335679000001,0.0,-0.0395952026,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Fe-K-P,5.0,A2BC2_tI10_139_d_a_e:Fe-K-P +mp-631274,KFeP,-4.3012239533,0.6966836012000001,1.1286282412,1.1286282412,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-K-P,3.0,ABC_cF12_216_c_a_b:Fe-K-P +mp-1103067,FePSe,-6.3220724975,-0.5289940994,0.0742428117,0.0742428117,GGA,P2_1/c,ABC_mP12_14_e_e_e:Fe-P-Se,12.0,ABC_mP12_14_e_e_e:Fe-P-Se +mp-2928,FePSe3,-5.289859963,-0.4156483331,0.111388733,0.111388733,GGA,R-3,ABC3_hR30_148_c_c_f:Fe-P-Se,10.0,ABC3_hR30_148_c_c_f:Fe-P-Se +mp-1225841,CsUSbO6,-7.8940366589,-2.7833760045,0.0,-0.0569264264,GGA,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-Sb-U,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-Sb-U, expected CsUSbO12 to be CsUSbO6" +mp-31256,U(SbO3)2,-8.0475886267,-2.5776392092,0.0018095161,0.0018095161,GGA,C2/m,A6B2C_mC18_12_3i_i_a:O-Sb-U,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_4i_i_a:O-Sb-U, expected U(SbO4)2 to be U(SbO3)2" +mp-28779,USbO5,-8.5443946471,-2.8081296748,0.0443779298,0.0443779298,GGA,C2/c,A5BC_mC28_15_e2f_a_e:O-Sb-U,14.0,A5BC_mC28_15_e2f_c_e:O-Sb-U +mp-1220291,Nd2(OF)3,-6.8974479125,-3.1335981748,0.326781234,0.326781234,GGA,P-6,A3B2C3_hP8_174_j_ad_k:F-Nd-O,8.0,A3B2C3_hP8_174_j_ad_k:F-Nd-O +mp-686701,Nd3O2F5,-7.41558593,-4.0400644743,0.2490156915,0.2490156915,GGA,Pm,A5B3C2_mP20_6_5a5b_3a3b_3ab:F-Nd-O,20.0,A5B3C2_mP20_6_5a5b_3a3b_3ab:F-Nd-O +mp-1101619,Nd3O2F5,-7.4701475135,-4.0946260578,0.194454108,0.194454108,GGA,Pm,A5B3C2_mP20_6_5a5b_3a3b_3ab:F-Nd-O,20.0,A5B3C2_mP20_6_5a5b_3a3b_3ab:F-Nd-O +mp-753772,Nd4O3F7,-7.4095960986,-4.0315240531,0.1183736643,0.1183736643,GGA,P2,A7B4C3_mP14_3_abc2e_2e_acd:F-Nd-O,14.0,"Invalid WP multiplicities - A7B4C3_mP14_3_abc3e_3e_abd:F-Nd-O, expected Nd2OF3 to be Nd4O3F7" +mp-5634,NdOF,-8.0338613317,-4.1584229613,0.0,-0.0637765747,GGA,R-3m,ABC_hR18_166_c_c_c:F-Nd-O,6.0,ABC_hR18_166_c_c_c:F-Nd-O +mp-35208,NdOF,-7.9795554133,-4.1041170429,0.0543059183,-0.0094706564,GGA,F-43m,ABC_cF12_216_a_c_b:F-Nd-O,3.0,ABC_cF12_216_a_c_b:F-Nd-O +mp-1192562,NdMoO4F,-8.2968330279,-2.9665428343,0.0041139655,0.0041139655,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:F-Mo-Nd-O,28.0,ABCD4_mP28_14_e_e_e_4e:F-Mo-Nd-O +mp-1044751,Pr(WO3)2,-9.2363939756,-2.5278052553,0.0913673611,0.0913673611,GGA+U,P1,A6BC2_aP18_1_12a_2a_4a:O-Pr-W,18.0,A6BC2_aP18_1_12a_2a_4a:O-Pr-W +mp-25198,Pr(WO4)2,-8.8195640055,-2.4313207414,0.0918978707,0.0918978707,GGA+U,P-1,A8BC2_aP22_2_8i_i_2i:O-Pr-W,22.0,"Invalid WP multiplicities - A8BC2_aP22_2_15i_i_3i:O-Pr-W, expected Pr(WO5)3 to be Pr(WO4)2" +mp-1209470,Pr2WO6,-8.9860864706,-3.1860782475,0.0,-0.0385454149,GGA+U,C2/c,A6B2C_mC72_15_6f_2ef_f:O-Pr-W,36.0,A6B2C_mC72_15_6f_2ef_f:O-Pr-W +mp-1209767,Pr2(WO4)3,-9.0624340459,-2.7214654144,0.0281551832,0.0281551832,GGA+U,C2/c,A12B2C3_mC68_15_6f_f_ef:O-Pr-W,34.0,A12B2C3_mC68_15_6f_f_ef:O-Pr-W +mp-1209417,PrWO5,-8.6473417686,-2.5798446912,0.1327475124,0.1327475124,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-Pr-W,28.0,A5BC_mP28_14_5e_e_e:O-Pr-W +mp-27479,Pr2W2O9,-9.0749662479,-2.9212531424,0.0,-0.0389602088,GGA+U,P2_1/c,A9B2C2_mP52_14_9e_2e_2e:O-Pr-W,52.0,A9B2C2_mP52_14_9e_2e_2e:O-Pr-W +mp-1209684,PrAg(WO4)2,-8.4494827375,-2.3575467451,0.0,-0.0042239667,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Pr-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Pr-W +mp-628549,Pr(WO3)5,-9.0226169233,-2.1763365627,0.208192482,0.208192482,GGA+U,Pmmm,A15BC5_oP21_47_bmnruv_d_au:O-Pr-W,21.0,"Invalid WP multiplicities - A15BC5_oP21_47_b2m2n2r4u4v_d_au:O-Pr-W, expected Pr(WO9)5 to be Pr(WO3)5" +mp-1078725,Ba2UZnO6,-7.784434182,-3.1775106052,0.0,-0.0297235266,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Zn +mp-865182,Gd2SCl4,-8.295744465,-2.6267671812,0.0,-0.0018787444,GGA,C2/c,A4B2C_mC28_15_2f_f_e:Cl-Gd-S,14.0,"Invalid WP multiplicities - A4B2C_mC28_15_3f_f_e:Cl-Gd-S, expected Gd2SCl6 to be Gd2SCl4" +mp-1182355,Gd2SCl4,-8.1648157121,-2.4958384283,0.1309287529,0.1290500085,GGA,C2/c,A4B2C_mC28_15_2f_f_e:Cl-Gd-S,14.0,"Invalid WP multiplicities - A4B2C_mC28_15_5f_f_e:Cl-Gd-S, expected Gd2SCl10 to be Gd2SCl4" +mp-558122,GdSClO4,-8.3164596439,-2.6239076994,0.0,-0.2310741637,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cl-Gd-O-S,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_11e_e:Cl-Gd-O-S, expected GdSClO11 to be GdSClO4" +mp-1013642,Ca3AsP,-4.073936154,-0.8560920437,0.1712062827,0.1712062827,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ca-P,5.0,AB3C_cP5_221_a_c_b:As-Ca-P +mp-1096856,Ca3AsP,-3.851370276,-0.6335261657,0.3937721607,0.3937721607,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ca-P,5.0,AB3C_cP5_221_b_c_a:As-Ca-P +mp-1182709,Ca6As4PO35,-5.500403952,-0.9521978585,0.8012341775,0.8012341775,GGA,R3c,A4B6C35D_hR276_161_ab_2b_2a11b_a:As-Ca-O-P,92.0,A4B6C35D_hR276_161_ab_2b_2a11b_a:As-Ca-O-P +mp-14367,AsPO5,-7.0394720429,-2.0672056903,0.0,-0.0665880552,GGA,P2_12_12_1,AB5C_oP28_19_a_5a_a:As-O-P,28.0,AB5C_oP28_19_a_5a_a:As-O-P +mp-8140,AsPO4,-7.1785424475,-2.2020131547,0.0,-0.0997114298,GGA,Pnma,AB4C_oP24_62_c_2cd_c:As-O-P,24.0,AB4C_oP24_62_c_2cd_c:As-O-P +mp-1247211,Mg2ScV3S8,-6.4485305186,-1.4573629221,0.1003730847,0.1003730847,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Sc-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c2h_a_d:Mg-S-Sc-V, expected Mg2ScV3S16 to be Mg2ScV3S8" +mp-1246974,MgScVS4,-6.4472940321,-1.6526576475,0.0757041498,0.0757041498,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sc-V,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sc-V, expected MgScVS12 to be MgScVS4" +mp-1247226,Mg2Sc3VS8,-6.4516048864,-1.8534997136,0.0454878742,0.0454878742,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sc-V,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sc-V, expected Mg2Sc3VS22 to be Mg2Sc3VS8" +mp-1190092,Ta3VS6,-8.3889329385,-1.4413391224,0.0,-0.099078487,GGA,P6_322,A6B3C_hP20_182_i_af_c:S-Ta-V,20.0,A6B3C_hP20_182_i_af_c:S-Ta-V +mp-1216912,Tl(V3S4)4,-7.3819907879,-1.2594834136,0.0,-0.0036936898,GGA,P1,A16BC12_aP29_1_16a_a_12a:S-Tl-V,29.0,A16BC12_aP29_1_16a_a_12a:S-Tl-V +mp-1216835,Tl(V3S4)4,-7.3739756283,-1.2514682539,0.0080151597,0.0043214699,GGA,P-1,A16BC12_aP29_2_8i_a_6i:S-Tl-V,29.0,"Invalid WP multiplicities - A16BC12_aP29_2_15i_a_12i:S-Tl-V, expected Tl(V4S5)6 to be Tl(V3S4)4" +mp-5513,Tl3VS4,-4.9491733538,-0.8594689816000001,0.0,-0.0851753159,GGA,I-43m,A4B3C_cI16_217_c_b_a:S-Tl-V,8.0,A4B3C_cI16_217_c_b_a:S-Tl-V +mp-29227,TlV5S8,-6.9595739843,-1.1828759535,0.0195850621,0.0195850621,GGA,C2,A8BC5_mC28_5_4c_a_b2c:S-Tl-V,14.0,A8BC5_mC28_5_4c_a_b2c:S-Tl-V +mp-1104896,TlV5S8,-6.9598542436,-1.1831562127,0.0193048029,0.0193048029,GGA,C2/m,A8BC5_mC28_12_4i_a_d2i:S-Tl-V,14.0,A8BC5_mC28_12_4i_a_c2i:S-Tl-V +mp-685403,Tl3(V3S4)8,-6.9720559029,-0.9132750408,0.3248611962,0.3248611962,GGA,P1,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V,59.0,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V +mp-677069,Tl3(V3S4)8,-6.94741712,-0.888636258,0.3494999791,0.3494999791,GGA,P1,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V,59.0,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V +mp-1101027,Tl3(V3S4)8,-6.9939513837,-0.9351705217,0.3029657154,0.3029657154,GGA,P1,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V,59.0,A32B3C24_aP59_1_32a_3a_24a:S-Tl-V +mp-1216802,Tl(V3S4)2,-7.203972326,-1.2067937592,0.0107068739,0.0107068739,GGA,P-3,A8BC6_hP15_147_dg_a_g:S-Tl-V,15.0,A8BC6_hP15_147_dg_a_g:S-Tl-V +mp-1217833,TaTl6VS8,-5.1585717538,-0.8955004091000001,0.0020970612,0.0020970612,GGA,P-43m,A8BC6D_cP16_215_2e_a_cd_b:S-Ta-Tl-V,16.0,"Invalid WP multiplicities - A8BC6D_cP16_215_6e_a_2c3d_b:S-Ta-Tl-V, expected TaTl15VS24 to be TaTl6VS8" +mp-1195546,Tl5Ag3(PS3)4,-4.4040642638,-0.5873354232,0.0,-0.0177373222,GGA,C2/c,A3B4C12D5_mC96_15_ef_2f_6f_e2f:Ag-P-S-Tl,48.0,A3B4C12D5_mC96_15_ef_2f_6f_e2f:Ag-P-S-Tl +mp-557761,KBa4Sb3O,-4.3583972311,-1.4561759935,0.0,-0.0536922473,GGA,I4/mcm,A4BCD3_tI36_140_l_c_b_ah:Ba-K-O-Sb,18.0,"Invalid WP multiplicities - A4BCD3_tI36_140_l_c_b_2a2h:Ba-K-O-Sb, expected KBa4Sb6O to be KBa4Sb3O" +mp-985782,H2C,-5.5052453425,-0.1672061483,0.0447762679,0.0447762679,GGA,Pnma,AB2_oP12_62_c_2c:C-H,12.0,AB2_oP12_62_c_2c:C-H +mp-995202,HC6,-8.3546383286,0.0403215286,0.0857463321,0.0857463321,GGA,P-1,A6B_aP14_2_6i_i:C-H,14.0,A6B_aP14_2_6i_i:C-H +mp-995184,HC2,-7.2401474733,0.04320487,0.1491960781,0.1491960781,GGA,C2/m,A2B_mC12_12_2i_i:C-H,6.0,A2B_mC12_12_2i_i:C-H +mp-603334,HC2,-7.2819749153,0.0013774281,0.1073686362,0.1073686362,GGA,P2_1/c,A2B_mP72_14_12e_6e:C-H,72.0,"Invalid WP multiplicities - A2B_mP72_14_47e_21e:C-H, expected H21C47 to be HC2" +mp-995217,H2C3,-6.8780584425,0.016231271,0.1434207207,0.1434207207,GGA,C2/c,A3B2_mC40_15_3f_2f:C-H,20.0,A3B2_mC40_15_3f_2f:C-H +mp-1195106,H8C5,-5.7766302273,-0.1393120871,0.0563639894,0.0563639894,GGA,P-42_1c,A5B8_tP52_114_c2e_4e:C-H,52.0,A5B8_tP52_114_c2e_4e:C-H +mp-1021328,H4C,-4.814292834,-0.2543788995,0.0,-0.1540552105,GGA,I-43m,AB4_cI10_217_a_c:C-H,5.0,AB4_cI10_217_a_c:C-H +mp-1097016,H4C7,-7.0893448253,0.0171608681,0.1327876406,0.1327876406,GGA,P2_1,A7B4_mP132_4_42a_24a:C-H,132.0,A7B4_mP132_4_42a_24a:C-H +mp-995197,HC,-6.3598782144,-0.0491824456,0.1098043666,0.1098043666,GGA,C2/m,AB_mC32_12_2ij_2j:C-H,16.0,AB_mC32_12_2ij_2j:C-H +mp-995195,HC,-6.2964368325,0.0142589362,0.1732457484,0.1732457484,GGA,Cmcm,AB_oC8_63_c_c:C-H,4.0,AB_oC8_63_c_c:C-H +mp-1096986,HC,-6.40659895,-0.0959031813,0.0630836309,0.0630836309,GGA,P-3m1,AB_hP4_164_d_d:C-H,4.0,AB_hP4_164_d_d:C-H +mp-1079612,HC,-6.1497659975,0.1609297712,0.3199165834,0.3199165834,GGA,I2_13,AB_cI16_199_a_a:C-H,8.0,AB_cI16_199_a_a:C-H +mp-995200,HC3,-7.7115000212,0.0581806094,0.1376740155,0.1376740155,GGA,P2_1/m,A3B_mP8_11_3e_e:C-H,8.0,"Invalid WP multiplicities - A3B_mP8_11_4e_e:C-H, expected HC4 to be HC3" +mp-30168,H34C19,-5.6334092149,-0.148553934,0.0554291458,0.0554291458,GGA,P2_1,A19B34_mP106_4_19a_34a:C-H,106.0,A19B34_mP106_4_19a_34a:C-H +mp-866659,H34C19,-5.6284717179,-0.143616437,0.0603666428,0.0603666428,GGA,P2_1,A19B34_mP106_4_19a_34a:C-H,106.0,A19B34_mP106_4_19a_34a:C-H +mp-1079801,NbNi3(HC)2,-6.4260991412,0.1594631281,0.3852659036,0.3852659036,GGA,I4/mmm,A2B2CD3_tI16_139_c_e_a_bd:C-H-Nb-Ni,8.0,A2B2CD3_tI16_139_c_e_a_bd:C-H-Nb-Ni +mp-1520622,KGa(SeO3)4,-5.2210306539,-0.9164525753,0.4737195115,0.4737195115,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ga-K-O-Se,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ga-K-O-Se, expected KGa(Se2O9)2 to be KGa(SeO3)4" +mp-556730,CaU(MoO4)4,-8.6181945139,-2.4442567998,0.0,-0.0169067553,GGA+U,P2/c,AB4C16D_mP44_13_e_2g_ef7g_f:Ca-Mo-O-U,44.0,"Invalid WP multiplicities - AB4C16D_mP44_13_e_4g_2e2f24g_f:Ca-Mo-O-U, expected CaU(Mo2O13)4 to be CaU(MoO4)4" +mp-558445,LaBMoO6,-8.6389766893,-2.8455121056,0.0100872689,0.0100872689,GGA+U,P2_1/c,ABCD6_mP72_14_2e_2e_2e_12e:B-La-Mo-O,72.0,"Invalid WP multiplicities - ABCD6_mP72_14_4e_6e_5e_44e:B-La-Mo-O, expected La6B4Mo5O44 to be LaBMoO6" +mp-554970,Rb2Te(WO4)3,-7.8816492242,-2.1405920429,0.0116932419,-0.0115694932,GGA+U,P31c,A12B2CD3_hP36_159_4c_2b_a_c:O-Rb-Te-W,36.0,"Invalid WP multiplicities - A12B2CD3_hP36_159_16c_2b_a_c:O-Rb-Te-W, expected Rb2Te(WO16)3 to be Rb2Te(WO4)3" +mp-567014,Rb2Te(WO4)3,-7.8933424661,-2.1522852848,0.0,-0.0232627351,GGA+U,P6_3mc,A12B2CD3_hP36_186_4c_2b_a_c:O-Rb-Te-W,36.0,"Invalid WP multiplicities - A12B2CD3_hP36_186_16c_2b_a_c:O-Rb-Te-W, expected Rb2Te(WO16)3 to be Rb2Te(WO4)3" +mp-6794,LaB2Rh2C,-7.6308972817,-0.5888853018,0.0,-0.0131386176,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-La-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-La-Rh +mp-3380,LaRhC2,-8.0198546187,-0.3304431287,0.039483035,0.039483035,GGA,P4_1,A2BC_tP16_76_2a_a_a:C-La-Rh,16.0,A2BC_tP16_76_2a_a_a:C-La-Rh +mp-1206401,LaRh3C,-7.624107766,-0.3725885245,0.0480861535,0.0480861535,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-La-Rh,5.0,ABC3_cP5_221_b_a_c:C-La-Rh +mp-1006885,KNdS2,-5.63223466,-2.0943731317,0.0,-0.1601619047,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Nd-S,4.0,ABC2_hR12_166_a_b_c:K-Nd-S +mp-11603,KNd2CuS4,-5.7888467875,-1.8773842938,0.0,-0.0160017028,GGA,Cmcm,ABC2D4_oC32_63_c_c_f_acf:Cu-K-Nd-S,16.0,"Invalid WP multiplicities - ABC2D4_oC32_63_c_c_f_a2c3f:Cu-K-Nd-S, expected KNd2CuS9 to be KNd2CuS4" +mp-1101243,V3Si3O10,-8.6143312597,-2.8021712964,0.0994663844,0.0994663844,GGA+U,P-1,A10B3C3_aP32_2_10i_3i_bd2i:O-Si-V,32.0,"Invalid WP multiplicities - A10B3C3_aP32_2_19i_6i_bd4i:O-Si-V, expected V5Si6O19 to be V3Si3O10" +mp-771650,V2SiO7,-8.3537742628,-2.5317791479,0.0515818978,0.0515818978,GGA+U,Pa-3,A7BC2_cP40_205_ad_b_c:O-Si-V,40.0,"Invalid WP multiplicities - A7BC2_cP40_205_2a2d_b_c:O-Si-V, expected V2SiO14 to be V2SiO7" +mp-1216895,V6PbO15,-8.3042512723,-2.285323356,0.0253129495,0.0253129495,GGA+U,Cm,A15BC6_mC44_8_15a_a_6a:O-Pb-V,22.0,A15BC6_mC44_8_15a_a_6a:O-Pb-V +mp-766653,V6PbO15,-8.3184445716,-2.2995166553,0.0111196502,0.0111196502,GGA+U,P2_1/c,A15BC6_mP88_14_15e_e_6e:O-Pb-V,88.0,"Invalid WP multiplicities - A15BC6_mP88_14_57e_e_24e:O-Pb-V, expected V24PbO57 to be V6PbO15" +mp-1208438,V3Pb5O12,-7.2565284505,-1.9977675458,0.0401973588,0.0401973588,GGA+U,P6_3/m,A12B5C3_hP40_176_2hi_fh_h:O-Pb-V,40.0,A12B5C3_hP40_176_2hi_fh_h:O-Pb-V +mp-21126,V2PbO6,-7.9420369606,-2.2130823519,0.0,-0.0111843249,GGA+U,C2/m,A6BC2_mC36_12_6i_i_2i:O-Pb-V,18.0,"Invalid WP multiplicities - A6BC2_mC36_12_7i_i_2i:O-Pb-V, expected V2PbO7 to be V2PbO6" +mp-649492,V2PbO6,-7.8387524948,-2.1097978862,0.1032844657,0.0921001409,GGA+U,C222,A6BC2_oC54_21_i4l_bf_kl:O-Pb-V,27.0,"Invalid WP multiplicities - A6BC2_oC54_21_i5l_bf_kl:O-Pb-V, expected V6Pb3O22 to be V2PbO6" +mp-607026,V2PbO6,-7.9136992572,-2.1847446486,0.0283377033,0.0171533785,GGA+U,Pnma,A6BC2_oP36_62_6c_c_2c:O-Pb-V,36.0,"Invalid WP multiplicities - A6BC2_oP36_62_22c_c_6c:O-Pb-V, expected V6PbO22 to be V2PbO6" +mp-22296,V5(PbO6)2,-8.2011465663,-2.295615565,0.0091095704,0.0091095704,GGA+U,P2/c,A12B2C5_mP38_13_ef5g_g_e2g:O-Pb-V,38.0,"Invalid WP multiplicities - A12B2C5_mP38_13_ef6g_g_e2g:O-Pb-V, expected V5(PbO7)2 to be V5(PbO6)2" +mp-1101267,V3Pb2O9,-7.8583026409,-2.2013590158,0.01635684,0.01635684,GGA+U,P-1,A9B2C3_aP56_2_18i_4i_6i:O-Pb-V,56.0,"Invalid WP multiplicities - A9B2C3_aP56_2_35i_7i_11i:O-Pb-V, expected V11(PbO5)7 to be V3Pb2O9" +mp-1208138,V3Pb2O9,-7.8542746336,-2.1973310085,0.0203848473,0.0203848473,GGA+U,Cc,A9B2C3_mC56_9_9a_2a_3a:O-Pb-V,28.0,A9B2C3_mC56_9_9a_2a_3a:O-Pb-V +mp-19903,V2Pb3O8,-7.3626412985,-2.0642364492,0.0033391323,0.0002550009,GGA+U,C2,A8B3C2_mC26_5_4c_ac_c:O-Pb-V,13.0,"Invalid WP multiplicities - A8B3C2_mC26_5_5c_ac_c:O-Pb-V, expected V2Pb3O10 to be V2Pb3O8" +mp-20564,V2Pb3O8,-7.3659804308,-2.0675755815,0.0,-0.0030841314,GGA+U,P2_1/c,A8B3C2_mP26_14_4e_ae_e:O-Pb-V,26.0,"Invalid WP multiplicities - A8B3C2_mP26_14_5e_ae_e:O-Pb-V, expected V2Pb3O10 to be V2Pb3O8" +mp-21322,V2Pb3O8,-7.3333463454,-2.0349414962,0.0326340854,0.0295499539,GGA+U,R-3m,A8B3C2_hR39_166_ch_ac_c:O-Pb-V,13.0,A8B3C2_hR39_166_ch_ac_c:O-Pb-V +mp-1143876,VSiO4,-8.1773421744,-2.4613456836,0.4132323081,0.4132323081,GGA+U,Ia-3d,A4BC_cI144_230_h_d_c:O-Si-V,72.0,A4BC_cI144_230_h_d_c:O-Si-V +mp-1100950,V17Pb3O32,-8.5339126317,-2.3058668017,0.1071827465,0.1071827465,GGA+U,P1,A32B3C17_aP52_1_32a_3a_17a:O-Pb-V,52.0,A32B3C17_aP52_1_32a_3a_17a:O-Pb-V +mp-753907,V(SiO3)2,-8.4251040333,-2.9123624336,0.0933669239,0.0933669239,GGA+U,P-1,A6B2C_aP27_2_9i_3i_ai:O-Si-V,54.0,"Invalid WP multiplicities - A6B2C_aP27_2_9i_3i_2a2i:O-Si-V, expected VSiO3 to be V(SiO3)2" +mp-1265975,V(SiO3)2,-8.4508542219,-2.9381126222,0.0676167353,0.0676167353,GGA+U,P-1,A6B2C_aP18_2_6i_2i_i:O-Si-V,36.0,A6B2C_aP18_2_6i_2i_i:O-Si-V +mp-25239,V(SiO3)2,-8.4493508997,-2.9366093,0.0691200575,0.0691200575,GGA+U,C2/c,A6B2C_mC36_15_3f_f_e:O-Si-V,36.0,A6B2C_mC36_15_3f_f_e:O-Si-V +mp-766689,V(SiO3)2,-8.4436181376,-2.9308765379,0.0748528196,0.0748528196,GGA+U,Pbca,A6B2C_oP72_61_6c_2c_c:O-Si-V,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_21c_5c_c:O-Si-V, expected VSi5O21 to be V(SiO3)2" +mp-22005,V2Pb2O7,-7.6204161416,-2.1458772999,0.0,-0.0187762214,GGA+U,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-Pb-V,44.0,A7B2C2_mP44_14_7e_2e_2e:O-Pb-V +mp-1208804,V2PbO2,-6.676673293,-0.3219059665,1.3683014132,1.3683014132,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Pb-V,20.0,A2BC2_tI40_141_h_c_h:O-Pb-V +mp-1043652,V(Si2O5)2,-8.3033467785,-2.9532090917,0.1574413585,0.1574413585,GGA+U,P4/ncc,A10B4C_tP60_130_f2g_g_c:O-Si-V,60.0,"Invalid WP multiplicities - A10B4C_tP60_130_f5g_g_c:O-Si-V, expected V(Si2O11)2 to be V(Si2O5)2" +mp-1208010,V3(PbO3)4,-7.3867027579,-2.0465674408,0.0057817392,0.0057817392,GGA+U,I-43d,A12B4C3_cI76_220_e_c_a:O-Pb-V,38.0,A12B4C3_cI76_220_e_c_a:O-Pb-V +mp-1273857,V2Si2O7,-8.6811145664,-2.8951810047,0.0397960756,0.0397960756,GGA+U,P-1,A7B2C2_aP11_2_a3i_i_i:O-Si-V,11.0,"Invalid WP multiplicities - A7B2C2_aP11_2_a6i_i_i:O-Si-V, expected V2Si2O13 to be V2Si2O7" +mp-754719,V2Si2O7,-8.6759670936,-2.8900335319,0.0449435483,0.0449435483,GGA+U,C2/m,A7B2C2_mC22_12_aij_i_h:O-Si-V,22.0,A7B2C2_mC22_12_aij_i_h:O-Si-V +mp-1281584,V2Si2O7,-8.6764258855,-2.8904923238,0.0444847565,0.0444847565,GGA+U,C2/c,A7B2C2_mC44_15_c3f_f_2e:O-Si-V,22.0,A7B2C2_mC22_12_aij_i_h:O-Si-V +mp-756212,V2Si2O7,-8.6383905023,-2.8524569406,0.0825201397,0.0825201397,GGA+U,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Si-V,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2af_d_c:O-Si-V, expected VSiO4 to be V2Si2O7" +mp-754234,V2SiO4,-8.7506456121,-2.5535191814,0.0863113546,0.0637585455,GGA+U,Fd-3m,A4BC2_cF56_227_e_a_d:O-Si-V,14.0,A4BC2_cF56_227_e_a_d:O-Si-V +mp-772047,V2SiO4,-8.8369569668,-2.6398305361,0.0,-0.0225528092,GGA+U,Pnma,A4BC2_oP28_62_2cd_c_ac:O-Si-V,28.0,A4BC2_oP28_62_2cd_c_ac:O-Si-V +mp-769922,V2SiO4,-8.7818669307,-2.5847405,0.0550900361,0.0325372269,GGA+U,Imma,A4BC2_oI28_74_hi_e_ac:O-Si-V,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_3h4i_e_2a2c:O-Si-V, expected V4SiO14 to be V2SiO4" +mp-1244528,V6PbO11,-8.6440210342,-2.386817739,0.0325630004,0.0325630004,GGA+U,P1,A11BC6_aP36_1_22a_2a_12a:O-Pb-V,36.0,A11BC6_aP36_1_22a_2a_12a:O-Pb-V +mp-619128,V6PbO11,-8.645032669999999,-2.3878293748,0.0315513646,0.0315513646,GGA+U,P6_3mc,A11BC6_hP36_186_2b3c_b_2abc:O-Pb-V,36.0,"Invalid WP multiplicities - A11BC6_hP36_186_4b13c_b_4a2b5c:O-Pb-V, expected V21PbO43 to be V6PbO11" +mp-22371,V6PbO11,-8.6204904042,-2.363287109,0.0560936304,0.0560936304,GGA+U,P6_3/mmc,A11BC6_hP36_194_fhk_c_deg:O-Pb-V,36.0,A11BC6_hP36_194_fhk_c_deg:O-Pb-V +mp-1208173,VPbO2,-7.078783295,-1.4063006544,0.5456969213,0.5456969213,GGA+U,I4_1/a,A2BC_tI32_88_f_c_d:O-Pb-V,16.0,A2BC_tI32_88_f_c_d:O-Pb-V +mp-1217159,V2SiPb5O12,-7.2311108518,-2.155279349,0.0,-0.0025005137,GGA+U,Pm,A12B5CD2_mP40_6_6a6b6c_3a3b2c_2a_a3b:O-Pb-Si-V,40.0,"Invalid WP multiplicities - A12B5CD2_mP40_6_6a6b12c_3a3b3c_2a_a3b:O-Pb-Si-V, expected V2Si(PbO3)6 to be V2SiPb5O12" +mp-754608,VSiO3,-8.679419126500001,-2.8095610798,0.0187299222,0.0187299222,GGA+U,C2/c,A3BC_mC40_15_3f_f_2e:O-Si-V,20.0,"Invalid WP multiplicities - A3BC_mC40_15_3f_f_4e:O-Si-V, expected V2SiO3 to be VSiO3" +mp-766894,V4Si4O13,-8.6445245448,-2.8186269426,0.0655472433,0.0655472433,GGA+U,P-1,A13B4C4_aP42_2_13i_4i_4i:O-Si-V,42.0,"Invalid WP multiplicities - A13B4C4_aP42_2_25i_7i_7i:O-Si-V, expected V7Si7O25 to be V4Si4O13" +mp-20032,VPbO3,-7.64270382,-2.1153799653,0.0220541723,0.0220541723,GGA+U,P4mm,A3BC_tP5_99_ac_b_a:O-Pb-V,10.0,A3BC_tP5_99_ac_b_a:O-Pb-V +mp-1070440,VPbO3,-7.54024152,-2.0129176653,0.1245164723,0.1245164723,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Pb-V,5.0,A3BC_cP5_221_c_a_b:O-Pb-V +mp-760020,V12PbO30,-8.3545785884,-2.2820162338,0.0185079822,0.0185079822,GGA+U,P1,A30BC12_aP43_1_30a_a_12a:O-Pb-V,43.0,A30BC12_aP43_1_30a_a_12a:O-Pb-V +mp-861633,V2Si4O11,-7.6025138056,-2.0564749771,0.9960509298,0.9960509298,GGA+U,P-1,A11B4C2_aP34_2_11i_4i_2i:O-Si-V,34.0,"Invalid WP multiplicities - A11B4C2_aP34_2_21i_7i_3i:O-Si-V, expected V3(SiO3)7 to be V2Si4O11" +mp-867855,V2Si4O11,-8.5058439144,-2.9598050860000003,0.092720821,0.092720821,GGA+U,P-1,A11B4C2_aP34_2_11i_4i_2i:O-Si-V,34.0,"Invalid WP multiplicities - A11B4C2_aP34_2_21i_7i_3i:O-Si-V, expected V3(SiO3)7 to be V2Si4O11" +mp-1207871,VPbO4,-7.3059449963,-1.8753936654,0.1095419054,0.1095419054,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Pb-V,24.0,A4BC_mP24_14_4e_e_e:O-Pb-V +mp-647385,V2Pb4O9,-7.174048415,-2.0048084936,0.0,-0.0169479724,GGA+U,Pnma,A9B4C2_oP120_62_4c7d_4c2d_2cd:O-Pb-V,120.0,"Invalid WP multiplicities - A9B4C2_oP120_62_16c53d_13c13d_7c5d:O-Pb-V, expected V17Pb39O122 to be V2Pb4O9" +mp-1097047,FeCu2BO5,-6.9600435022,-1.6176801825,0.0633590283,0.0633590283,GGA+U,P1,AB2CD5_aP36_1_4a_8a_4a_20a:B-Cu-Fe-O,36.0,AB2CD5_aP36_1_4a_8a_4a_20a:B-Cu-Fe-O +mp-1225359,FeCu2BO5,-6.9720412567,-1.629677937,0.0513612739,0.0513612739,GGA+U,P2_1/c,AB2CD5_mP36_14_e_ade_e_5e:B-Cu-Fe-O,36.0,AB2CD5_mP36_14_e_abe_e_5e:B-Cu-Fe-O +mp-16590,Tb4Si2S3O7,-8.0449956123,-3.2684786724,0.0053776396,0.0053776396,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Tb,64.0,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Tb +mp-1196774,ThV2TeO12,-7.3290804614,-1.8237529103,0.3659330845,0.3659330845,GGA+U,Pbca,A12BCD2_oP128_61_12c_c_c_2c:O-Te-Th-V,128.0,A12BCD2_oP128_61_12c_c_c_2c:O-Te-Th-V +mp-553878,ThV4O12,-8.7831175506,-2.7178383115,0.0011589715,-0.0412726688,GGA+U,I4_1/a,A12BC4_tI136_88_2e5f_e_2f:O-Th-V,68.0,"Invalid WP multiplicities - A12BC4_tI136_142_7d7e24g_b_g:O-Th-V, expected ThV4O124 to be ThV4O12" +mp-565447,ThV4O12,-8.7842765221,-2.7189972829,0.0,-0.0424316403,GGA+U,I4_1/acd,A12BC4_tI136_142_de2g_b_g:O-Th-V,68.0,"Invalid WP multiplicities - A12BC4_tI136_142_7d7e24g_b_g:O-Th-V, expected ThV4O124 to be ThV4O12" +mp-1208215,ThV2O6,-9.1122219478,-2.9720216525,0.1382737333,0.1382737333,GGA+U,P4_2/mnm,A6BC2_tP18_136_fj_a_e:O-Th-V,18.0,A6BC2_tP18_136_fj_a_e:O-Th-V +mp-825406,ThV2O7,-8.9680593105,-2.9472101736000003,0.0192332723,0.0192332723,GGA+U,Pna2_1,A7BC2_oP80_33_14a_2a_4a:O-Th-V,80.0,A7BC2_oP80_33_14a_2a_4a:O-Th-V +mp-704544,ThV2O7,-8.9373255565,-2.9164764196,0.0499670263,0.0499670263,GGA+U,Pnnm,A7BC2_oP80_58_2g6h_h_2gh:O-Th-V,80.0,"Invalid WP multiplicities - A7BC2_oP80_58_7g41h_h_6g4h:O-Th-V, expected Th2V14O89 to be ThV2O7" +mp-510558,Rb2SrV4O12,-7.7904343587,-2.5616738106,0.0,-0.0046084165,GGA+U,P4/nbm,A12B2CD4_tP38_125_mn_e_a_l:O-Rb-Sr-V,38.0,A12B2CD4_tP38_125_mn_e_a_l:O-Rb-Sr-V +mp-975200,RbSrO3,-4.862160836,-1.3601421041,0.457093104,0.457093104,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Sr,5.0,A3BC_cP5_221_c_a_b:O-Rb-Sr +mp-11917,Mg(BeN)2,-6.34296063,-1.192541504,0.0,-0.0819906061,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Be-Mg-N,5.0,A2BC2_hP5_164_d_a_d:Be-Mg-N +mp-7589,Mg2NF,-5.356815525,-1.9946820269,0.0064448511,0.0064448511,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:F-Mg-N,8.0,AB2C_tI16_141_a_e_b:F-Mg-N +mp-7604,Mg3NF3,-5.4868129014,-2.7908454761,0.0,-0.0092507176,GGA,Pm-3m,A3B3C_cP7_221_c_d_a:F-Mg-N,7.0,A3B3C_cP7_221_c_d_a:F-Mg-N +mp-1211021,Mg2Be3(NF6)2,-5.1809579234,-2.3372981258,0.5548282255,0.5548282255,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-N,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mg-N +mp-1211461,KLiDyF5,-5.9624065769,-3.8144686405,0.0,-0.0090654873,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Dy-F-K-Li,32.0,AB5CD_mP32_14_e_5e_e_e:Dy-F-K-Li +mp-1211162,LiDyF2,-5.147085305,-2.5624183946,0.5098811798,0.5098811798,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Dy-F-Li,16.0,AB2C_tI32_141_c_h_d:Dy-F-Li +mp-1213488,CsW3I3Cl4,-5.7537951902,-1.0643371219,0.0364855103,0.0364855103,GGA,P31c,A4BC3D3_hP44_159_2b2c_ab_2c_2c:Cl-Cs-I-W,44.0,A4BC3D3_hP44_159_2b2c_ab_2c_2c:Cl-Cs-I-W +mp-1009541,CsRbN,-2.7620312267,0.6421125632,0.8279464246,0.8279464246,GGA,F-43m,ABC_cF12_216_a_c_b:Cs-N-Rb,3.0,ABC_cF12_216_a_c_b:Cs-N-Rb +mp-989519,Cs2RbNF6,-4.078839144,-1.8211683893,0.0420816133,0.0420816133,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-N-Rb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-N-Rb +mp-28204,CsH7O4,-5.0820655683,-1.379462274,0.0,-0.0069442721,GGA,P2_1/c,AB7C4_mP48_14_e_7e_4e:Cs-H-O,48.0,AB7C4_mP48_14_e_7e_4e:Cs-H-O +mp-541005,CsH5O3,-5.0359058547,-1.4026726624,0.0,-0.0011422869,GGA,Pca2_1,AB5C3_oP72_29_2a_10a_6a:Cs-H-O,72.0,AB5C3_oP72_29_2a_10a_6a:Cs-H-O +mp-642682,CsHO,-4.5413383683,-1.4630659922,0.030045265,-0.1029369039,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:Cs-H-O,12.0,ABC_oP12_62_c_c_c:Cs-H-O +mp-625136,CsHO,-4.5713836333,-1.4931112572,0.0,-0.1329821689,GGA,Cmc2_1,ABC_oC12_36_a_a_a:Cs-H-O,6.0,ABC_oC12_36_a_a_a:Cs-H-O +mp-626417,CsH3O2,-4.9401595667,-1.4456665784,0.0,-0.0203842673,GGA,Amm2,AB3C2_oC12_38_b_ad_2a:Cs-H-O,6.0,AB3C2_oC12_38_b_ad_2a:Cs-H-O +mp-30089,CsH3O2,-4.8585518783,-1.3640588901,0.0816076883,0.061223421,GGA,I4_1/amd,AB3C2_tI24_141_b_ac_e:Cs-H-O,12.0,AB3C2_tI24_141_b_ac_e:Cs-H-O +mp-1197940,Cs3PuH4O7,-6.3879229817,-2.044471608,0.0,-0.0512441444,GGA,P2_1/c,A3B4C7D_mP60_14_3e_4e_7e_e:Cs-H-O-Pu,60.0,A3B4C7D_mP60_14_3e_4e_7e_e:Cs-H-O-Pu +mp-1201983,Cs3PuH8O9,-6.0448972317,-1.8250852218,0.0015527898,0.0015527898,GGA,C2/c,A3B8C9D_mC84_15_ef_4f_e4f_c:Cs-H-O-Pu,42.0,A3B8C9D_mC84_15_ef_4f_e4f_c:Cs-H-O-Pu +mp-1212059,Li3Tm(NO3)6,-6.7558519239,-1.4250672676,0.0,-0.0059783851,GGA,P2_1/c,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Tm,112.0,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Tm +mp-1224934,Ga12OF36,-5.0677258604,-2.820846599,0.0488133966,0.0488133966,GGA,Imm2,A36B12C_oI98_44_ab5c2d5e_2c2e_a:F-Ga-O,49.0,"Invalid WP multiplicities - A36B12C_oI98_44_ab9c4d17e_3c8e_a:F-Ga-O, expected Ga38OF96 to be Ga12OF36" +mp-558984,GaTeO3F,-5.8844939367,-2.0640027672,0.0,-0.0293604008,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-Ga-O-Te,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_8e_e:F-Ga-O-Te, expected GaTeO8F to be GaTeO3F" +mp-1112030,K2HgBiI6,-2.536750522,-1.0162339731,0.0871654505,0.0871654505,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Hg-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Hg-I-K +mp-1112221,K2InGaF6,-4.655230848,-2.7082857028,0.124618079,0.124618079,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-In-K +mp-1112359,K2InBiF6,-4.649450377,-2.6212659211,0.1504532182,0.1504532182,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-In-K +mp-680539,K11(In2Bi3)3,-2.7821203706,-0.3479321795,0.0,-0.0459221708,GGA,P-1,A9B6C11_aP52_2_9i_6i_ac10i:Bi-In-K,52.0,"Invalid WP multiplicities - A9B6C11_aP52_2_18i_10i_ac17i:Bi-In-K, expected K9In5Bi9 to be K11(In2Bi3)3" +mp-645095,UAg3(AsO4)3,-6.6538090145,-1.7524038687,0.0146388192,0.0146388192,GGA,P2_1/c,A3B3C12D_mP152_14_6e_6e_24e_2e:Ag-As-O-U,152.0,"Invalid WP multiplicities - A3B3C12D_mP152_14_22e_21e_93e_8e:Ag-As-O-U, expected U8Ag22(As7O31)3 to be UAg3(AsO4)3" +mp-1111386,K2RbAlF6,-5.216444534,-3.3748663738,0.0539859887,0.0539859887,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Rb +mp-1113768,KRb2AlF6,-5.258099198,-3.4295075253,0.0,-0.0220741882,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-F-K-Rb +mp-1223146,La3Tb(PO4)4,-8.4961274033,-3.4860183691,0.0178011938,0.0178011938,GGA,P1,A3B16C4D_aP24_1_3a_16a_4a_a:La-O-P-Tb,24.0,A3B16C4D_aP24_1_3a_16a_4a_a:La-O-P-Tb +mp-561387,TbMoO4F,-8.3105415611,-2.9993629864,0.0035373833,0.0035373833,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Tb,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:F-Mo-O-Tb, expected TbMoO13F to be TbMoO4F" +mp-634979,TbOF,-7.6958186883,-3.8649740954,0.400071945,0.3341802093,GGA,C2/m,ABC_mC12_12_i_i_i:F-O-Tb,6.0,ABC_mC12_12_i_i_i:F-O-Tb +mp-1179151,TbOF,-7.9035963017,-4.0727517088,0.1922943317,0.126402596,GGA,C2/m,ABC_mC12_12_i_i_i:F-O-Tb,6.0,ABC_mC12_12_i_i_i:F-O-Tb +mp-14093,TbOF,-8.0958906333,-4.2650460404,0.0,-0.0658917357,GGA,R-3m,ABC_hR18_166_c_c_c:F-O-Tb,6.0,ABC_hR18_166_c_c_c:F-O-Tb +mp-540841,U2NiO6,-9.6243574944,-3.1751253869,0.0365488656,0.0365488656,GGA+U,P321,AB6C2_hP27_150_ad_3g_ef:Ni-O-U,27.0,AB6C2_hP27_150_ad_3g_ef:Ni-O-U +mp-19093,Ba2UNiO6,-8.14418164,-3.0852187562,0.0,-0.0752556908,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-U +mp-1112274,K2TiAgF6,-5.358389483,-2.9166175111,0.2698580053,0.2698580053,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ti +mp-1215887,YU(CuSi)4,-5.990035001,-0.4044370087,0.0,-0.002596049,GGA,P4/mmm,A4B4CD_tP10_123_i_gh_a_d:Cu-Si-U-Y,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_i_2gh_c_b:Cu-Si-U-Y, expected YU(Cu2Si3)2 to be YU(CuSi)4" +mp-1200569,Rb3Cd(BO2)5,-7.1656257443,-2.6009763789,0.0,-0.0163984119,GGA,P2_1/c,A5BC10D3_mP76_14_5e_e_10e_3e:B-Cd-O-Rb,76.0,A5BC10D3_mP76_14_5e_e_10e_3e:B-Cd-O-Rb +mp-1197285,RbCd(BO2)3,-7.2488926491,-2.5560079752,0.0,-0.003394853,GGA,C2/c,A3BC6D_mC88_15_3f_f_6f_f:B-Cd-O-Rb,44.0,A3BC6D_mC88_15_3f_f_6f_f:B-Cd-O-Rb +mp-1200744,Rb2Cd3(B4O7)4,-7.7866276452,-2.6823972437,0.0046707455,0.0046707455,GGA,C2/c,A16B3C28D2_mC196_15_8f_ef_14f_f:B-Cd-O-Rb,98.0,A16B3C28D2_mC196_15_8f_ef_14f_f:B-Cd-O-Rb +mp-569704,Tl2Ni(CN)4,-7.2339626073,0.1084069058,0.1317427296,0.1317427296,GGA,P2_1/c,A4B4CD2_mP22_14_2e_2e_a_e:C-N-Ni-Tl,22.0,"Invalid WP multiplicities - A4B4CD2_mP22_14_7e_6e_a_e:C-N-Ni-Tl, expected Tl2Ni(C7N6)2 to be Tl2Ni(CN)4" +mp-1028487,W2SeS3,-8.0423899975,-1.0721364078,0.0113942912,0.0113942912,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:S-Se-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:S-Se-W +mp-1028558,W2SeS3,-8.0436059733,-1.0733523836,0.0101783154,0.0101783154,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:S-Se-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:S-Se-W +mp-573078,WSeS2Cl5,-4.8024171633,-1.0280144143,0.0274937627,0.0274937627,GGA,C2/c,A5B2CD_mC72_15_5f_2f_f_f:Cl-S-Se-W,36.0,"Invalid WP multiplicities - A5B2CD_mC72_15_15f_3f_f_f:Cl-S-Se-W, expected WSe(SCl5)3 to be WSeS2Cl5" +mp-1025577,W3(SeS2)2,-7.9816245411,-1.0469564175,0.0130943683,0.0130943683,GGA,P3m1,A4B2C3_hP9_156_2a2b_2a_a2b:S-Se-W,9.0,A4B2C3_hP9_156_2a2b_2a_a2b:S-Se-W +mp-1025584,W3(SeS2)2,-7.9810378678,-1.0463697441,0.0136810417,0.0136810417,GGA,P-6m2,A4B2C3_hP9_187_2g_h_ah:S-Se-W,9.0,"Invalid WP multiplicities - A4B2C3_hP9_187_3g_h_ah:S-Se-W, expected W3(SeS3)2 to be W3(SeS2)2" +mp-1025599,W3(Se2S)2,-7.7451397389,-0.9528134795,0.0133176533,0.0133176533,GGA,P3m1,A2B4C3_hP9_156_2a_2a2b_a2b:S-Se-W,9.0,A2B4C3_hP9_156_2a_2a2b_a2b:S-Se-W +mp-1025588,W3(Se2S)2,-7.7456051122,-0.9532788528,0.01285228,0.01285228,GGA,P-6m2,A2B4C3_hP9_187_h_2g_ah:S-Se-W,9.0,"Invalid WP multiplicities - A2B4C3_hP9_187_h_3g_ah:S-Se-W, expected W3(Se3S)2 to be W3(Se2S)2" +mp-1028488,WSeS,-7.8619338767,-0.9984366852,0.0146542742,0.0146542742,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:S-Se-W,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:S-Se-W +mp-1028764,WSeS,-7.8619062458,-0.9984090543,0.014681905,0.014681905,GGA,P3m1,ABC_hP12_156_4a_4b_2a2b:S-Se-W,12.0,ABC_hP12_156_4a_4b_2a2b:S-Se-W +mp-1023929,WSeS,-7.8618971217,-0.9983999302,0.0146910292,0.0146910292,GGA,P3m1,ABC_hP6_156_2a_2b_ab:S-Se-W,6.0,ABC_hP6_156_2a_2b_ab:S-Se-W +mp-1028663,WSeS,-7.8621997567,-0.9987025652,0.0143883942,0.0143883942,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:S-Se-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:S-Se-W, expected W3(SeS)2 to be WSeS" +mp-1028772,WSeS,-7.8615005958,-0.9980034043,0.015087555,0.015087555,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:S-Se-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:S-Se-W, expected W3(SeS)2 to be WSeS" +mp-1216174,WSeS,-7.86633316,-1.0028359685,0.0102549908,0.0102549908,GGA,P-3m1,ABC_hP6_164_d_d_d:S-Se-W,6.0,ABC_hP6_164_d_d_d:S-Se-W +mp-1028686,W2Se3S,-7.6884108417,-0.9316700484,0.0109811713,0.0109811713,GGA,P3m1,AB3C2_hP12_156_2a_2a4b_2a2b:S-Se-W,12.0,AB3C2_hP12_156_2a_2a4b_2a2b:S-Se-W +mp-1028769,W2Se3S,-7.68789628,-0.9311554867,0.0114957329,0.0114957329,GGA,P3m1,AB3C2_hP12_156_2a_2a4b_2a2b:S-Se-W,12.0,AB3C2_hP12_156_2a_2a4b_2a2b:S-Se-W +mp-1021698,BaMg6V,-2.2760756837,0.29949448,0.3547325687,0.3547325687,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-V, expected BaMg12V to be BaMg6V" +mp-1021720,BaMg6V,-2.2696978256,0.3058723381,0.3611104268,0.3611104268,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-V, expected BaMg12V to be BaMg6V" +mp-1028319,BaMg14V,-1.9315877444,0.1563373625,0.1963450957,0.1963450957,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-V, expected BaMg18V to be BaMg14V" +mp-1028298,BaMg14V,-1.9237418231,0.1641832837,0.2041910169,0.2041910169,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-V, expected BaMg26V to be BaMg14V" +mp-2217737,Ba2Mg(VS3)2,-6.0122392691,-1.6099900626,0.1238935557,0.1238935557,GGA,Cm,A2BC6D2_mC22_8_2a_a_2a2b_2a:Ba-Mg-S-V,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_8_2a_a_2a4b_2a:Ba-Mg-S-V, expected Ba2Mg(VS5)2 to be Ba2Mg(VS3)2" +mp-2217792,Ba2Mg(VS3)2,-5.9888058282,-1.5865566217,0.1473269966,0.1473269966,GGA,Cm,A2BC6D2_mC22_8_2a_a_2a2b_2a:Ba-Mg-S-V,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_8_2a_a_2a4b_2a:Ba-Mg-S-V, expected Ba2Mg(VS5)2 to be Ba2Mg(VS3)2" +mp-2217848,Ba2Mg(VS3)2,-5.9919065464,-1.5896573399,0.1442262784,0.1442262784,GGA,C2/m,A2BC6D2_mC22_12_i_b_ij_ac:Ba-Mg-S-V,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_12_i_a_2i3j_bc:Ba-Mg-S-V, expected Ba2Mg(VS8)2 to be Ba2Mg(VS3)2" +mp-2217817,Ba2Mg(VS3)2,-5.4836754391,-1.0814262326,0.6524573857,0.6524573857,GGA,P-6m2,A2BC6D2_hP11_187_cf_a_jk_g:Ba-Mg-S-V,11.0,"Invalid WP multiplicities - A2BC6D2_hP11_187_cf_a_3j2k_g:Ba-Mg-S-V, expected Ba2MgV2S15 to be Ba2Mg(VS3)2" +mp-558923,KTbCr2O8,-7.7255625442,-2.3401984044,0.0,-0.0652793199,GGA+U,P2_12_12_1,A2BC8D_oP48_19_2a_a_8a_a:Cr-K-O-Tb,48.0,"Invalid WP multiplicities - A2BC8D_oP48_19_4a_a_31a_a:Cr-K-O-Tb, expected KTbCr4O31 to be KTbCr2O8" +mp-755592,K2TbO3,-6.0189132142,-2.4030415262,0.0011990407,0.0011990407,GGA,C2/c,A2B3C_mC48_15_cef_3f_2e:K-O-Tb,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_2a2e2f_11f_4e:K-O-Tb, expected K4Tb2O11 to be K2TbO3" +mp-756869,K2TbO3,-5.9425971133,-2.3267254254,0.0775151416,0.0775151416,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:K-O-Tb,12.0,"Invalid WP multiplicities - A2B3C_oC24_36_b_a2b_a:K-O-Tb, expected K2TbO5 to be K2TbO3" +mp-981313,KTbO3,-6.395549704,-2.2785834678,0.2692139284,0.2692139284,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Tb,5.0,AB3C_cP5_221_a_c_b:K-O-Tb +mp-1205174,NaP2PtO9,-6.5035130244,-1.6773236377,0.2463552523,0.2463552523,GGA,P-1,AB9C2D_aP52_2_2i_18i_4i_2i:Na-O-P-Pt,52.0,AB9C2D_aP52_2_2i_18i_4i_2i:Na-O-P-Pt +mp-1235373,LiBi2(IO)2,-4.2952217543,-1.090934433,0.3414292354,0.3414292354,GGA,Pmm2,A2B2CD2_oP7_25_bc_bc_a_ad:Bi-I-Li-O,7.0,A2B2CD2_oP7_25_bc_bc_a_ad:Bi-I-Li-O +mp-1235581,LiBi2(IO)2,-4.4543477643,-1.250060443,0.1823032254,0.1823032254,GGA,P4mm,A2B2CD2_tP7_99_ab_ab_a_c:Bi-I-Li-O,7.0,A2B2CD2_tP7_99_ab_ab_a_c:Bi-I-Li-O +mp-1236093,LiBi2(IO)2,-4.3126456571,-1.1083583358,0.3240053326,0.3240053326,GGA,P4mm,A2B2CD2_tP7_99_ab_ab_a_c:Bi-I-Li-O,7.0,A2B2CD2_tP7_99_ab_ab_a_c:Bi-I-Li-O +mp-1235439,LiBi2(IO)2,-4.4712099986,-1.2669226773,0.1654409912,0.1654409912,GGA,P-4m2,A2B2CD2_tP7_115_g_g_c_ab:Bi-I-Li-O,7.0,A2B2CD2_tP7_115_g_g_c_ab:Bi-I-Li-O +mp-1222461,LiBi3(IO2)2,-5.221250377,-1.6048625968,0.001298414,-0.039907017,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-I-Li-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-I-Li-O +mp-775430,LiBi3(IO2)2,-5.222548791,-1.6061610108000002,0.0,-0.041205431,GGA,Cmcm,A3B2CD4_oC40_63_cf_ac_c_h:Bi-I-Li-O,20.0,"Invalid WP multiplicities - A3B2CD4_oC40_63_2c2f_2a2c_c_h:Bi-I-Li-O, expected LiBi6(IO)4 to be LiBi3(IO2)2" +mp-1192067,Tl2Pd(CN)4,-7.1657025259000005,0.1220983626,0.1657570781,0.1657570781,GGA,P2_1/c,A4B4CD2_mP22_14_2e_2e_a_e:C-N-Pd-Tl,22.0,A4B4CD2_mP22_14_2e_2e_a_e:C-N-Pd-Tl +mp-1032837,LiYMg6O8,-6.6004187456,-3.0035072475,0.1017098498,0.1017098498,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Li-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Li-Mg-O-Y, expected LiYMg6O12 to be LiYMg6O8" +mp-1033703,LiYMg6O8,-6.6405783962000005,-3.0436668981,0.0615501992,0.0615501992,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Li-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Li-Mg-O-Y, expected LiYMg6O12 to be LiYMg6O8" +mp-1028052,LiYMg14,-1.9220851781,0.0016219894,0.0501235569,0.0501235569,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Y, expected LiYMg18 to be LiYMg14" +mp-1028045,LiYMg14,-1.929365445,-0.0056582775,0.04284329,0.04284329,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Y, expected LiYMg26 to be LiYMg14" +mp-1035918,LiYMg14O16,-6.468346025,-3.0331480856,0.0464806127,0.0464806127,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Li-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Li-Mg-O-Y, expected LiYMg18O20 to be LiYMg14O16" +mp-1035901,LiYMg14O16,-6.4683882694,-3.03319033,0.0464383684,0.0464383684,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Li-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Li-Mg-O-Y, expected LiYMg30O32 to be LiYMg14O16" +mp-1022812,LiYMg6,-2.2413041844,0.0058301006,0.0760823873,0.0760823873,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Y, expected LiYMg12 to be LiYMg6" +mp-1022813,LiYMg6,-2.2329965737,0.0141377113,0.0843899979,0.0843899979,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Y, expected LiYMg12 to be LiYMg6" +mp-1037661,LiYMg30O32,-6.4009662177,-3.0466250577,0.0202094412,0.0202094412,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Li-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Li-Mg-O-Y, expected LiYMg110O72 to be LiYMg30O32" +mp-1037656,LiYMg30O32,-6.4001981777,-3.0458570177,0.0209774812,0.0209774812,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Li-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Li-Mg-O-Y, expected LiYMg90O80 to be LiYMg30O32" +mp-4800,Ca11(CN5)2,-6.3761930948,-0.9899374898,0.0038877775,0.0038877775,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-Ca-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-Ca-N +mp-1246489,Sr(C4N3)2,-8.3997903773,-0.0306045811,0.2462023285,0.2462023285,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Sr,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Sr +mp-1246085,Sr(C4N3)2,-8.3960750967,-0.0268893004,0.2499176092,0.2499176092,GGA,P31m,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Sr,45.0,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Sr +mp-29961,Sr(C2N3)2,-8.3449705955,-0.2883228706,0.089141097,0.089141097,GGA,C2/c,A4B6C_mC44_15_2f_3f_e:C-N-Sr,22.0,"Invalid WP multiplicities - A4B6C_mC44_15_3f_4f_e:C-N-Sr, expected Sr(C3N4)2 to be Sr(C2N3)2" +mp-1247168,Sr3C3N5,-7.3230264809,-0.5560308934,0.3898525616,0.3898525616,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:C-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:C-N-Sr +mp-1193904,Ca(C4N3)2,-8.416745219,-0.026485661,0.2593963642,0.2593963642,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Ca-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Ca-N +mp-9167,SrCN2,-7.9305543188,-1.0327671198,0.0052587913,-0.4221441395,GGA,Pnma,AB2C_oP16_62_c_2c_c:C-N-Sr,16.0,AB2C_oP16_62_c_2c_c:C-N-Sr +mp-12317,SrCN2,-7.93581311,-1.038025911,0.0,-0.4274029308,GGA,R-3m,AB2C_hR12_166_a_c_b:C-N-Sr,4.0,AB2C_hR12_166_a_c_b:C-N-Sr +mp-567601,Sr4CN4,-6.3267243525,-0.8453222407000001,0.0,-0.0036356436,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Sr,36.0,"Invalid WP multiplicities - AB4C4_oP36_62_c_13c_14c:C-N-Sr, expected Sr14CN13 to be Sr4CN4" +mp-1245714,Sr4C2N5,-6.8985602857,-0.8169439745,0.1197854689,0.1197854689,GGA,P2_1/c,A2B5C4_mP44_14_2e_5e_4e:C-N-Sr,44.0,A2B5C4_mP44_14_2e_5e_4e:C-N-Sr +mp-4124,CaCN2,-8.0488714,-1.0720575944,0.0,-0.4552957899,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Ca-N,4.0,ABC2_hR12_166_a_b_c:C-Ca-N +mp-1208816,Sr3CaCN4,-6.4187242053,-0.9021991572,0.0,-0.0120185519,GGA,Pnma,ABC4D3_oP36_62_c_c_4c_3c:C-Ca-N-Sr,36.0,ABC4D3_oP36_62_c_c_4c_3c:C-Ca-N-Sr +mp-1245482,Sr7CN6,-5.5829440627,-0.5062234044,0.2806317564,0.2806317564,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:C-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:C-N-Sr +mp-5251,Ca4CN4,-6.6325054558000005,-1.0106115989,0.0,-0.0085081677,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Ca-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Ca-N +mp-720995,Sr2C2N3,-7.0854102018,-0.393152678,0.5000779451,0.5000779451,GGA,P6_3/mmc,A2B3C2_hP28_194_bg_k_ch:C-N-Sr,28.0,A2B3C2_hP28_194_bg_k_ch:C-N-Sr +mp-1247296,CaC7N10,-8.2273318861,0.1044018682,0.3426368892,0.3426368892,GGA,Pc,A7BC10_mP36_7_7a_a_10a:C-Ca-N,36.0,A7BC10_mP36_7_7a_a_10a:C-Ca-N +mp-1247395,Ca5(CN3)2,-6.7089038535,-0.6701115508000001,0.3594065083,0.3594065083,GGA,C2/c,A2B5C6_mC52_15_f_e2f_3f:C-Ca-N,26.0,A2B5C6_mC52_15_f_e2f_3f:C-Ca-N +mp-1245742,Sr11(CN5)2,-6.0426149,-0.8075406295,0.0021929539,0.0021929539,GGA,P4_2/mnm,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Sr,46.0,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Sr +mp-1245820,SrC7N10,-8.1992177814,0.1149545048,0.3456269294,0.3456269294,GGA,Pc,A7B10C_mP36_7_7a_10a_a:C-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:C-N-Sr +mp-1247462,Sr2CN2,-6.425712928,-0.5695844782,0.2608362507,0.2608362507,GGA,Cmme,AB2C2_oC20_67_g_m_m:C-N-Sr,10.0,AB2C2_oC20_67_g_m_m:C-N-Sr +mp-29960,Ca(C2N3)2,-8.3500949568,-0.2647102841,0.1251288411,0.1251288411,GGA,C2/c,A4BC6_mC44_15_2f_e_3f:C-Ca-N,22.0,"Invalid WP multiplicities - A4BC6_mC44_15_3f_e_4f:C-Ca-N, expected Ca(C3N4)2 to be Ca(C2N3)2" +mp-1247436,Ca3(CN2)2,-7.1172953711,-0.6928386683000001,0.2959263834,0.2959263834,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:C-Ca-N,18.0,A2B3C4_mC36_15_f_ef_2f:C-Ca-N +mp-1245373,Ca7CN6,-6.0071154037,-0.7723415321,0.210692522,0.210692522,GGA,Pbcn,AB7C6_oP56_60_c_c3d_3d:C-Ca-N,56.0,AB7C6_oP56_60_c_c3d_3d:C-Ca-N +mp-1208158,U(SiO)2,-7.4987965815,-1.091711883,1.1590635785,1.1590635785,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-Si-U,20.0,A2B2C_tI40_141_h_h_c:O-Si-U +mp-1187767,USiO3,-8.765367044,-2.4540082092,0.7771768790000001,0.7771768790000001,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Si-U,5.0,A3BC_cP5_221_c_b_a:O-Si-U +mp-4169,USiO4,-9.539214055,-3.4553002408,0.0543620217,0.0543620217,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-Si-U,12.0,A4BC_tI24_141_h_a_b:O-Si-U +mp-1192867,U2SiO10,-8.5887041858,-2.6290868656,0.348541176,0.348541176,GGA,Fddd,A10BC2_oF104_70_e2h_a_e:O-Si-U,26.0,A10BC2_oF104_70_e2h_a_e:O-Si-U +mp-1178876,USiO7,-7.8072216067,-2.1023828268,0.5927983292,0.5927983292,GGA,Cmmm,A7BC_oC36_65_g2op_g_g:O-Si-U,18.0,A7BC_oC36_65_g2op_g_g:O-Si-U +mp-1192124,U2CuSi2O17,-7.1241353945,-1.5956639927,0.7042447241,0.7042447241,GGA,P-1,AB17C2D2_aP22_2_a_e8i_i_i:Cu-O-Si-U,22.0,AB17C2D2_aP22_2_a_e8i_i_i:Cu-O-Si-U +mp-1207862,U6Si11O,-7.6970845456,-0.3429930399,0.2511883884,0.2511883884,GGA,P-62m,AB11C6_hP18_189_a_bcdfg_i:O-Si-U,18.0,AB11C6_hP18_189_a_bcdfg_i:O-Si-U +mp-1191344,U2Cu(SiO9)2,-7.1577882735,-1.6546117712,0.5453009144000001,0.5453009144000001,GGA,P-1,AB18C2D2_aP23_2_a_9i_i_i:Cu-O-Si-U,23.0,AB18C2D2_aP23_2_a_9i_i_i:Cu-O-Si-U +mp-541933,CrHg5S2O5,-4.2800015427,-0.8817098054,0.2929477215,0.2929477215,GGA+U,P-1,AB5C5D2_aP26_2_i_bc4i_5i_2i:Cr-Hg-O-S,26.0,AB5C5D2_aP26_2_i_bc4i_5i_2i:Cr-Hg-O-S +mp-1197253,Hg3S2O11,-4.9608425606,-0.9859977698,0.2140349067,0.2140349067,GGA,C2/c,A3B11C2_mC64_15_af_e5f_f:Hg-O-S,32.0,A3B11C2_mC64_15_cf_e5f_f:Hg-O-S +mp-7461,Hg2SO4,-4.85226468,-1.3478981883,0.0,-0.0861464471,GGA,P2/c,A2B4C_mP14_13_g_2g_e:Hg-O-S,14.0,A2B4C_mP14_13_g_2g_e:Hg-O-S +mp-560733,CrHg3(SO2)2,-4.8618916998,-0.9995173854,0.3036479358,0.3036479358,GGA+U,P2_1/c,AB3C4D2_mP40_14_e_3e_4e_2e:Cr-Hg-O-S,40.0,"Invalid WP multiplicities - AB3C4D2_mP40_14_e_11e_6e_3e:Cr-Hg-O-S, expected CrHg11(SO2)3 to be CrHg3(SO2)2" +mp-30890,Hg3SO6,-4.6631882313,-1.1904259084,0.0,-0.0517239033,GGA,P3_1,A3B6C_hP30_144_3a_6a_a:Hg-O-S,30.0,A3B6C_hP30_144_3a_6a_a:Hg-O-S +mp-560316,Hg3SO6,-4.6621617507,-1.1893994277,0.0010264807,-0.0506974227,GGA,P3_121,A3B6C_hP30_152_ac_3c_a:Hg-O-S,30.0,"Invalid WP multiplicities - A3B6C_hP30_152_2a3c_13c_a:Hg-O-S, expected Hg8SO26 to be Hg3SO6" +mp-1200258,HgS2O7,-5.863680815,-1.5433407072,0.0,-0.0287511508,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Hg-O-S,40.0,AB7C2_mP40_14_e_7e_2e:Hg-O-S +mp-1192632,HgSO5,-5.1507917575,-0.9831383592,0.278613382,0.278613382,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Hg-O-S,28.0,AB5C_oP28_62_c_3cd_c:Hg-O-S +mp-1200662,HgSO4,-5.3011851379,-1.2633709584,0.2086727396,0.1623314825,GGA,P2_1/c,AB4C_mP48_14_2e_8e_2e:Hg-O-S,48.0,AB4C_mP48_14_2e_8e_2e:Hg-O-S +mp-3228,HgSO4,-5.5098578775,-1.472043698,0.0,-0.0463412571,GGA,Pmn2_1,AB4C_oP12_31_a_2ab_a:Hg-O-S,12.0,AB4C_oP12_31_a_2ab_a:Hg-O-S +mp-1021697,Mg6TiV,-3.0886493438,0.2339854546,0.249372256,0.249372256,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ti-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ti-V, expected Mg12TiV to be Mg6TiV" +mp-1021708,Mg6TiV,-3.12289006,0.1997447383,0.2151315398,0.2151315398,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ti-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ti-V, expected Mg12TiV to be Mg6TiV" +mp-1247189,Mg2TiV3S8,-6.46771467,-1.3649025799,0.1093207096,0.1093207096,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Ti-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c3h_a_d:Mg-S-Ti-V, expected Mg2TiV3S22 to be Mg2TiV3S8" +mp-1028336,Mg14TiV,-2.3498173106,0.1116401135,0.1295913819,0.1295913819,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ti-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ti-V, expected Mg18TiV to be Mg14TiV" +mp-1028330,Mg14TiV,-2.3305616856,0.1308957385,0.1488470069,0.1488470069,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ti-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ti-V, expected Mg26TiV to be Mg14TiV" +mp-1246558,MgTiVS4,-6.4751218421,-1.4571964701,0.0966219319,0.0966219319,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Ti-V,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Ti-V, expected MgTiVS12 to be MgTiVS4" +mp-1246861,Mg2Ti3VS8,-6.4738336471,-1.5407949932,0.088306855,0.088306855,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Ti-V,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-Ti-V, expected Mg2Ti3VS16 to be Mg2Ti3VS8" +mp-1110938,K2LiPrI6,-3.386012455,-1.6109299934,0.0755777297,0.0755777297,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Pr +mp-560801,GdAl3(BO3)4,-8.810065412,-3.2405313446,0.0058034466,0.0058034466,GGA,C2,A3B4CD12_mC120_5_a4c_2b5c_ac_2b17c:Al-B-Gd-O,60.0,"Invalid WP multiplicities - A3B4CD12_mC120_5_a6c_2b10c_ac_2b32c:Al-B-Gd-O, expected Gd3Al13(BO3)22 to be GdAl3(BO3)4" +mp-15359,GdAl3(BO3)4,-8.810100726,-3.2405666586,0.0057681326,0.0057681326,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Gd-O,20.0,"Invalid WP multiplicities - A3B4CD12_hR60_155_e_ad_b_2d2f:Al-B-Gd-O, expected GdAl3(B2O9)2 to be GdAl3(BO3)4" +mp-1178163,In3NO3,-5.8801294907,-1.3898991695,0.0596482871,0.0596482871,GGA,Ima2,A3BC3_oI28_46_a2b_b_bc:In-N-O,14.0,"Invalid WP multiplicities - A3BC3_oI28_46_2a3b_b_2b2c:In-N-O, expected In5NO6 to be In3NO3" +mp-778848,In3NO3,-5.9000352107000005,-1.4098048895,0.0397425671,0.0397425671,GGA,R-3m,A3BC3_hR42_166_acd_c_h:In-N-O,14.0,"Invalid WP multiplicities - A3BC3_hR42_166_a2c2d_c_h:In-N-O, expected In11(NO3)2 to be In3NO3" +mp-1214865,AsNO4,-5.6454275783,-0.1816995492,0.9868290767,0.9868290767,GGA,I-42d,ABC4_tI24_122_a_b_e:As-N-O,12.0,ABC4_tI24_122_a_b_e:As-N-O +mp-726299,AsNO4,-5.674605295,-0.2108772658,0.95765136,0.95765136,GGA,I4_1/amd,ABC4_tI24_141_a_b_h:As-N-O,12.0,ABC4_tI24_141_a_b_h:As-N-O +mp-1202898,InAs2NO7,-6.1730448439,-1.170023349,0.324538381,0.324538381,GGA,P-1,A2BCD7_aP44_2_4i_2i_2i_14i:As-In-N-O,44.0,A2BCD7_aP44_2_4i_2i_2i_14i:As-In-N-O +mp-1182482,As(NO2)2,-6.3847731532,-0.5106498532,0.4909461118,0.4909461118,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:As-N-O,28.0,AB2C4_mP28_14_e_2e_4e:As-N-O +mp-1193962,As(NO2)2,-6.3985549675,-0.5244316675,0.4771642975,0.4771642975,GGA,P2_1/c,AB2C4_mP28_14_e_2e_4e:As-N-O,28.0,AB2C4_mP28_14_e_2e_4e:As-N-O +mp-1112264,K2GaAuF6,-4.498680572,-2.4995155998,0.1536301611,0.1536301611,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ga-K +mp-1200560,CsAu(IO3)4,-4.7874116667,-0.9305775385,0.0,-0.0153776542,GGA,P-1,ABC4D12_aP36_2_i_i_4i_12i:Au-Cs-I-O,36.0,ABC4D12_aP36_2_i_i_4i_12i:Au-Cs-I-O +mp-1105854,CsAu(IO3)4,-4.7802272778,-0.9233931496,0.0071843889,-0.0081932653,GGA,C2,ABC4D12_mC36_5_a_b_2c_6c:Au-Cs-I-O,18.0,ABC4D12_mC36_5_a_b_2c_6c:Au-Cs-I-O +mp-1110783,K2RbBiI6,-2.824175807,-1.2359738873,0.1233832165,0.1233832165,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-I-K-Rb +mp-1228899,CsVNiF6,-5.9647103517,-2.939341582,0.0,-0.0247184625,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Ni-V,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Ni-V, expected CsVNiF12 to be CsVNiF6" +mp-649177,ReTe5O6F25,-5.0785556534,-2.2237404343,0.0264903488,0.0264903488,GGA,P2_1/c,A25B6CD5_mP148_14_25e_6e_e_5e:F-O-Re-Te,148.0,"Invalid WP multiplicities - A25B6CD5_mP148_14_97e_21e_e_18e:F-O-Re-Te, expected ReTe18O21F97 to be ReTe5O6F25" +mp-649107,ReTe7O7F32,-5.0065922144,-2.2354897383,0.0273646487,0.0273646487,GGA,P-1,A32B7CD7_aP94_2_32i_7i_i_7i:F-O-Re-Te,94.0,"Invalid WP multiplicities - A32B7CD7_aP94_2_62i_13i_i_14i:F-O-Re-Te, expected ReTe14O13F62 to be ReTe7O7F32" +mp-675266,Ca3(HO3)2,-5.9449648073,-2.0829298984,0.1057423782,0.1057423782,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:Ca-H-O,11.0,"Invalid WP multiplicities - A3B2C6_mC22_12_ai_i_5i:Ca-H-O, expected Ca3(HO5)2 to be Ca3(HO3)2" +mp-626644,Ca(HO)2,-5.8956077,-2.1587218215,0.007467168,-0.0668271935,GGA,C2,AB2C2_mC10_5_a_c_c:Ca-H-O,5.0,AB2C2_mC10_5_a_c_c:Ca-H-O +mp-643392,Ca(HO)2,-5.8676922515,-2.130806373,0.0353826165,-0.038911745,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ca-H-O,20.0,AB2C2_mP20_14_e_2e_2e:Ca-H-O +mp-626643,Ca(HO)2,-5.715229656,-1.9783437775,0.187845212,0.1135508505,GGA,P3m1,AB2C2_hP5_156_c_ab_ab:Ca-H-O,5.0,AB2C2_hP5_156_c_ab_ab:Ca-H-O +mp-23879,Ca(HO)2,-5.903074868,-2.1661889895,0.0,-0.0742943615,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-H-O,5.0,AB2C2_hP5_164_a_d_d:Ca-H-O +mp-1234002,CaSm4(HO2)4,-6.8926520918000005,-2.5382780747,0.3710221243,0.3710221243,GGA,Pm,AB4C8D4_mP17_6_a_2a2b_4a4b_2a2b:Ca-H-O-Sm,17.0,AB4C8D4_mP17_6_a_2a2b_4a4b_2a2b:Ca-H-O-Sm +mp-626267,Ca(H8O5)2,-5.2647782794,-1.3478855494,0.0504136868,0.0504136868,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626275,Ca(H8O5)2,-5.2859000313,-1.3690073012,0.029291935,0.029291935,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_7_a_32a_18a:Ca-H-O, expected Ca(H16O9)2 to be Ca(H8O5)2" +mp-626279,Ca(H8O5)2,-5.2987748306,-1.3818821005,0.0164171357,0.0164171357,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626291,Ca(H8O5)2,-5.2816290081,-1.3647362781,0.0335629581,0.0335629581,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626308,Ca(H8O5)2,-5.2628486396,-1.3459559095,0.0523433266,0.0523433266,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626317,Ca(H8O5)2,-5.2652458937,-1.3483531636,0.0499460725,0.0499460725,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626552,Ca(H8O5)2,-5.293867018,-1.3769742879,0.0213249483,0.0213249483,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626553,Ca(H8O5)2,-5.2726988769,-1.3558061468,0.0424930894,0.0424930894,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626562,Ca(H8O5)2,-5.2671360639,-1.3502433338,0.0480559024,0.0480559024,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626563,Ca(H8O5)2,-5.2635540093,-1.3466612792,0.051637957,0.051637957,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626564,Ca(H8O5)2,-5.2822726861,-1.365379956,0.0329192801,0.0329192801,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-1182020,Ca(H8O5)2,-5.258315568,-1.3414228379,0.0568763983,0.0568763983,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-1182334,Ca(H8O5)2,-5.2826629902,-1.3657702601,0.0325289761,0.0325289761,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-1182430,Ca(H8O5)2,-5.2723092487,-1.3554165186,0.0428827175,0.0428827175,GGA,P1,AB16C10_aP54_1_2a_32a_20a:Ca-H-O,54.0,AB16C10_aP54_1_2a_32a_20a:Ca-H-O +mp-626225,Ca(H8O5)2,-5.2698302561,-1.352937526,0.0453617101,0.0453617101,GGA,Pc,AB16C10_mP54_7_a_16a_10a:Ca-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_7_a_32a_18a:Ca-H-O, expected Ca(H16O9)2 to be Ca(H8O5)2" +mp-626227,Ca(H8O5)2,-5.3127111989,-1.3958184688,0.0024807674,0.0024807674,GGA,Pc,AB16C10_mP54_7_a_16a_10a:Ca-H-O,54.0,"Invalid WP multiplicities - AB16C10_mP54_7_a_32a_18a:Ca-H-O, expected Ca(H16O9)2 to be Ca(H8O5)2" +mp-626230,Ca(H8O5)2,-5.311561825,-1.3946690949,0.0036301413,0.0036301413,GGA,Cc,AB16C10_mC108_9_a_16a_10a:Ca-H-O,54.0,"Invalid WP multiplicities - AB16C10_mC108_9_a_32a_16a:Ca-H-O, expected Ca(H2O)16 to be Ca(H8O5)2" +mp-554942,SbTe(IF2)3,-4.0129144143,-1.9073435063,0.0,-0.017150933,GGA,P2_1/c,A6B3CD_mP44_14_6e_3e_e_e:F-I-Sb-Te,44.0,"Invalid WP multiplicities - A6B3CD_mP44_14_23e_11e_e_e:F-I-Sb-Te, expected SbTeI11F23 to be SbTe(IF2)3" +mp-28051,SbTeI,-3.427608115,-0.5123836206,0.0033660667,0.0033660667,GGA,C2/m,ABC_mC12_12_i_i_i:I-Sb-Te,6.0,ABC_mC12_12_i_i_i:I-Sb-Te +mp-1102060,TmH2ClO2,-6.2707444258,-2.4368774932,0.0013038038,-0.0034658529,GGA,P2_1/m,AB2C2D_mP12_11_e_2e_2e_e:Cl-H-O-Tm,12.0,AB2C2D_mP12_11_e_2e_2e_e:Cl-H-O-Tm +mp-1190688,TmH2ClO2,-6.2720482296,-2.4381812969,0.0,-0.0047696567,GGA,Pnma,AB2C2D_oP24_62_c_2c_2c_c:Cl-H-O-Tm,24.0,AB2C2D_oP24_62_c_2c_2c_c:Cl-H-O-Tm +mp-625465,Tm(HO)3,-6.4647802971,-2.2513403411,0.0348024943,0.0348024943,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Tm,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Tm, expected Tm(HO)6 to be Tm(HO)3" +mp-754355,Tm(HO)3,-6.4445476093,-2.2311076533,0.0550351821,0.0550351821,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:H-O-Tm,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_9e_9e_e:H-O-Tm, expected Tm(HO)9 to be Tm(HO)3" +mp-780425,Tm(HO)3,-6.4700042389,-2.2565642829,0.0295785525,0.0295785525,GGA,P2_1/c,A3B3C_mP56_14_6e_6e_2e:H-O-Tm,56.0,"Invalid WP multiplicities - A3B3C_mP56_14_23e_23e_5e:H-O-Tm, expected Tm5(HO)23 to be Tm(HO)3" +mp-625472,Tm(HO)3,-6.467446685,-2.254006729,0.0321361064,0.0321361064,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Tm,14.0,A3B3C_hP14_176_h_h_c:H-O-Tm +mp-768422,TmHO2,-7.4691926581,-3.0287079354,0.0105015113,0.0105015113,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:H-O-Tm,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_3e_e:H-O-Tm, expected TmHO3 to be TmHO2" +mp-754004,TmHO2,-7.4770647175,-3.0365799948,0.0026294519,0.0026294519,GGA,Pnma,AB2C_oP16_62_c_2c_c:H-O-Tm,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:H-O-Tm, expected TmHO5 to be TmHO2" +mp-1218755,Sr3UIn2O9,-7.4274443487,-3.0018805999,0.0271019043,0.0271019043,GGA,P2_1/c,A2B9C3D_mP60_14_abe_9e_3e_e:In-O-Sr-U,60.0,"Invalid WP multiplicities - A2B9C3D_mP60_14_ab2e_33e_10e_e:In-O-Sr-U, expected Sr10UIn3O33 to be Sr3UIn2O9" +mp-1206007,Sr2UInO6,-7.825344773,-3.1151234816,0.1107208023,0.1107208023,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-U +mp-1193189,NdI3O10,-5.4399033082,-1.2502509086,0.1346129454,0.1346129454,GGA,P2_1,A3BC10_mP28_4_3a_a_10a:I-Nd-O,28.0,A3BC10_mP28_4_3a_a_10a:I-Nd-O +mp-1222221,Nd3Pb3I13O40,-5.4719748652,-1.362420721,0.0,-0.0010393397,GGA,R3c,A13B3C40D3_hR354_161_a4b_b_a13b_b:I-Nd-O-Pb,118.0,A13B3C40D3_hR354_161_a4b_b_a13b_b:I-Nd-O-Pb +mp-755336,NdIO,-6.7848446117000005,-3.0554437804,0.0,-0.1859885431,GGA,P4/nmm,ABC_tP6_129_c_c_a:I-Nd-O,6.0,ABC_tP6_129_c_c_a:I-Nd-O +mp-1101455,NdIO,-6.700644665,-2.9712438337,0.0841999467,-0.1017885964,GGA,R-3m,ABC_hR18_166_c_c_c:I-Nd-O,6.0,ABC_hR18_166_c_c_c:I-Nd-O +mp-1181282,Nd6I8O45,-5.3378374421,-0.8802644353,0.5317126,0.5317126,GGA,Pnnm,A8B6C45_oP118_58_fgh_e2g_a4g9h:I-Nd-O,118.0,A8B6C45_oP118_58_fgh_e2g_a4g9h:I-Nd-O +mp-558346,Nd(IO3)3,-5.62281068,-1.4913918428,0.0,-0.1406141906,GGA,P2_1/c,A3BC9_mP52_14_3e_e_9e:I-Nd-O,52.0,"Invalid WP multiplicities - A3BC9_mP52_14_10e_e_30e:I-Nd-O, expected Nd(IO3)10 to be Nd(IO3)3" +mp-1193437,Nd(IO3)3,-5.1274576788,-0.9960388416,0.4953530012,0.3547388106,GGA,Pmmn,A3BC9_oP26_59_be_a_aefg:I-Nd-O,26.0,A3BC9_oP26_59_be_a_aefg:I-Nd-O +mp-1211462,NdIO9,-5.530698068,-0.9159969603,0.2461585147,0.2461585147,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:I-Nd-O,44.0,ABC9_mP44_14_e_e_9e:I-Nd-O +mp-1247897,BNCl4,-4.2638731294,-0.5288675735,0.4268824831,0.4268824831,GGA,P1,AB4C_aP18_1_3a_12a_3a:B-Cl-N,18.0,AB4C_aP18_1_3a_12a_3a:B-Cl-N +mp-1206547,Mg(BN3)2,-4.5929655444,2.6268159157,3.4421553438,3.4421553438,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:B-Mg-N,9.0,A2BC6_cF36_225_c_a_e:B-Mg-N +mp-1106370,BN2Cl,-6.1420331575,0.1581964127,1.1231981175,1.1231981175,GGA,Cmce,ABC2_oC32_64_f_d_2f:B-Cl-N,16.0,ABC2_oC32_64_f_d_2f:B-Cl-N +mp-27486,BN3Cl2,-6.5213319901,-0.6236736792,0.175868584,0.175868584,GGA,P2_1/c,AB2C3_mP72_14_3e_6e_9e:B-Cl-N,72.0,AB2C3_mP72_14_3e_6e_9e:B-Cl-N +mp-2647007,Mg2NCl,-4.7326963092,-1.3862983879000002,0.0229711113,0.0229711113,GGA,R-3m,AB2C_hR12_166_a_c_b:Cl-Mg-N,12.0,AB2C_hR12_166_a_c_b:Cl-Mg-N +mp-1214908,B2NCl3,-5.9173016468,-1.3771535724,0.0657231607,0.0657231607,GGA,P4_12_12,A2B3C_tP72_92_2a2b_a4b_ab:B-Cl-N,72.0,A2B3C_tP72_92_2a2b_a4b_ab:B-Cl-N +mp-726087,BNCl,-6.1902795417,-0.5688050897,0.71786385,0.71786385,GGA,Pnma,ABC_oP36_62_cd_cd_cd:B-Cl-N,36.0,ABC_oP36_62_cd_cd_cd:B-Cl-N +mp-581639,Mg2BN2Cl,-6.1362874727,-1.4027077426,0.0239319334,0.0239319334,GGA,Pbca,ABC2D2_oP48_61_c_c_2c_2c:B-Cl-Mg-N,48.0,"Invalid WP multiplicities - ABC2D2_oP48_61_c_c_7c_11c:B-Cl-Mg-N, expected Mg7BN11Cl to be Mg2BN2Cl" +mp-28955,Mg3BN3,-6.2392585057,-1.0264418349,0.0307530598,0.0307530598,GGA,P6_3/mmc,AB3C3_hP14_194_a_bf_ce:B-Mg-N,14.0,AB3C3_hP14_194_a_bf_ce:B-Mg-N +mp-30091,MgB9N,-6.7912546382,-0.4229545552,0.0,-0.0622887074,GGA,R-3m,A9BC_hR66_166_3h_c_c:B-Mg-N,22.0,"Invalid WP multiplicities - A9BC_hR66_166_4h_c_c:B-Mg-N, expected MgB12N to be MgB9N" +mp-1078952,Mg(N3Cl)2,-3.1451093522,3.00114875,3.7563211711,3.7563211711,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Cl-Mg-N,9.0,A2BC6_cF36_225_c_a_e:Cl-Mg-N +mp-23045,BNCl2,-5.63331432,-0.955074316,0.2442390787,0.2442390787,GGA,R3,AB2C_hR36_146_b_2b_b:B-Cl-N,12.0,AB2C_hR36_146_b_2b_b:B-Cl-N +mp-1246290,Cr2Co3N4,-8.4026529033,-0.1829831228,0.1584219706,0.1584219706,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Co-Cr-N,18.0,A3B2C4_mC36_15_ef_f_2f:Co-Cr-N +mp-1214815,Co(NF3)4,-4.2397867938000005,-0.5108429641,0.0,-0.0028468065,GGA+U,Fd-3m,AB12C4_cF136_227_a_g_e:Co-F-N,34.0,AB12C4_cF136_227_a_g_e:Co-F-N +mp-1246564,CrCo2N3,-8.3750867158,-0.2285587433,0.0512086558,0.0512086558,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Co-Cr-N,12.0,A2BC3_oC24_36_b_a_ab:Co-Cr-N +mp-1245722,CrCo2N3,-8.0874936862,0.0590342863,0.3388016854,0.3388016854,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Co-Cr-N,24.0,A2BC3_oC48_64_2f_f_e2f:Co-Cr-N +mp-1245726,Cr(CoN)3,-8.0607771879,-0.062564955,0.1788025314,0.1788025314,GGA,Cmcm,A3BC3_oC28_63_cg_c_cg:Co-Cr-N,14.0,"Invalid WP multiplicities - A3BC3_oC28_63_2c2g_c_2c2g:Co-Cr-N, expected Cr(CoN)6 to be Cr(CoN)3" +mp-1226403,CrCoNF6,-5.5601172689,-1.497146825,0.8143125064000001,0.8143125064000001,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_e:Co-Cr-F-N,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_e:Co-Cr-F-N, expected CrCoNF12 to be CrCoNF6" +mp-1247540,CrCoN2,-8.5231880925,-0.1645993137,0.218110415,0.218110415,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Co-Cr-N,8.0,ABC2_hP8_194_a_c_f:Co-Cr-N +mp-1213745,CoNF3,-4.62858097,-0.3927310455,1.3344558905,1.3344558905,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-F-N,5.0,AB3C_cP5_221_b_c_a:Co-F-N +mp-1192059,CrNF4,-5.4790616579,-1.2064852804,0.9673888996,0.9673888996,GGA+U,P4/nmm,AB4C_tP24_129_d_ij_bc:Cr-F-N,24.0,AB4C_tP24_129_d_ij_bc:Cr-F-N +mp-1246119,Bi(C2N3)3,-8.2038303,0.1862282256,0.1862282256,0.1862282256,GGA,Cmcm,AB6C9_oC64_63_c_gh_cfgh:Bi-C-N,32.0,AB6C9_oC64_63_c_gh_cfgh:Bi-C-N +mp-1196308,Bi2C3(BrN)9,-5.0419965991,0.3655114023,0.8456573696,0.8456573696,GGA,P2_1/m,A2B9C3D9_mP46_11_f_3e3f_ef_3e3f:Bi-Br-C-N,46.0,A2B9C3D9_mP46_11_f_3e3f_ef_3e3f:Bi-Br-C-N +mp-1104723,Bi2(Br3N)3,-2.9432591186,0.3901493104,1.1030051732,1.1030051732,GGA,P-3m1,A2B9C3_hP14_164_d_ei_ad:Bi-Br-N,14.0,A2B9C3_hP14_164_d_ei_ad:Bi-Br-N +mp-1192736,Bi2(Br3N)3,-2.9536428421,0.3797655868,1.0926214496,1.0926214496,GGA,P6_3/mmc,A2B9C3_hP28_194_f_hk_bf:Bi-Br-N,28.0,A2B9C3_hP28_194_f_hk_bf:Bi-Br-N +mp-1246589,Bi3C3N7,-7.3791818903,0.1256587514,0.1256587514,0.1256587514,GGA,P2_12_12_1,A3B3C7_oP104_19_6a_6a_14a:Bi-C-N,104.0,A3B3C7_oP104_19_6a_6a_14a:Bi-C-N +mp-27989,CBrN,-6.2090941333,0.1636354492,0.2817882456,0.2817882456,GGA,Pmmn,ABC_oP6_59_a_a_a:Br-C-N,6.0,ABC_oP6_59_a_a_a:Br-C-N +mp-730189,CBrN,-6.1956740917,0.1770554908,0.2952082872,0.2952082872,GGA,P4/nmm,ABC_tP6_129_c_c_c:Br-C-N,6.0,ABC_tP6_129_c_c_c:Br-C-N +mp-1247346,Bi2(CN2)3,-7.6956704127,0.0666881589,0.0666881589,0.0666881589,GGA,R32,A2B3C6_hR33_155_c_d_f:Bi-C-N,11.0,A2B3C6_hR33_155_c_d_f:Bi-C-N +mp-1246532,Bi2(CN2)3,-7.7389013986,0.023457173,0.023457173,0.023457173,GGA,R-3c,A2B3C6_hR66_167_c_e_f:Bi-C-N,22.0,A2B3C6_hR66_167_c_e_f:Bi-C-N +mp-621981,TlAg(CN)2,-6.4781251467,0.2427948508,0.2575645762,0.2575645762,GGA,P2_1/c,AB2C2D_mP48_14_abe_4e_4e_2e:Ag-C-N-Tl,48.0,"Invalid WP multiplicities - AB2C2D_mP48_14_2ade_15e_13e_6e:Ag-C-N-Tl, expected Tl12Ag5(C15N13)2 to be TlAg(CN)2" +mp-29672,AgC4N3,-7.7450717063,0.3495161373,0.3495161373,0.3495161373,GGA,Ima2,AB4C3_oI32_46_b_2bc_bc:Ag-C-N,16.0,"Invalid WP multiplicities - AB4C3_oI32_46_b_2b2c_b2c:Ag-C-N, expected AgC6N5 to be AgC4N3" +mp-9519,AgCN,-6.45504551,0.3441932969,0.3441932969,0.3441932969,GGA,R3m,ABC_hR9_160_a_a_a:Ag-C-N,3.0,ABC_hR9_160_a_a_a:Ag-C-N +mp-574486,Ag2CN2,-6.0453136265,0.2680398433,0.2680398433,0.2680398433,GGA,P2_1/c,A2BC2_mP20_14_ace_e_2e:Ag-C-N,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_2a2c3e_e_5e:Ag-C-N, expected Ag5CN5 to be Ag2CN2" +mp-567459,AgC2N3,-7.4889198546,0.227642106,0.227642106,0.227642106,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ag-C-N,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_3c_8c:Ag-C-N, expected AgC3N8 to be AgC2N3" +mp-1183026,AgC2N3,-6.59810228,1.1184596806,1.1184596806,1.1184596806,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Ag-C-N,24.0,AB2C3_oP24_62_c_2c_3c:Ag-C-N +mp-616521,AgC2N3,-7.4847706328,0.2317913278,0.2317913278,0.2317913278,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-C-N,18.0,"Invalid WP multiplicities - AB2C3_hP18_152_a_c_2b3c:Ag-C-N, expected Ag(CN4)2 to be AgC2N3" +mp-1182983,AgC2N3,-6.7827404317,0.9338215289,0.9338215289,0.9338215289,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-C-N,18.0,"Invalid WP multiplicities - AB2C3_hP18_152_a_c_2b3c:Ag-C-N, expected Ag(CN4)2 to be AgC2N3" +mp-1182994,AgC2N3,-6.9431547883,0.7734071722,0.7734071722,0.7734071722,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-C-N,18.0,"Invalid WP multiplicities - AB2C3_hP18_152_a_c_2b3c:Ag-C-N, expected Ag(CN4)2 to be AgC2N3" +mp-1193182,K3Gd(AsS4)2,-5.46534154,-1.1926876239,0.0,-0.0129460985,GGA,C2/c,A2BC3D8_mC56_15_f_e_a2e_4f:As-Gd-K-S,28.0,A2BC3D8_mC56_15_f_e_c2e_4f:As-Gd-K-S +mp-1205640,TbPOs2C,-8.837217025,-0.4910032332,0.1525268875,0.1525268875,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-P-Tb,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-P-Tb +mp-1213191,CsHo(WO4)2,-8.5611818667,-2.6472167507,0.0,-0.0128459439,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Ho-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Ho-O-W +mp-12160,Li6Ho(BO3)3,-7.065833883,-2.8240275786,0.0,-0.0035970491,GGA,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Ho-Li-O,76.0,A3BC6D9_mP76_14_3e_e_6e_9e:B-Ho-Li-O +mp-1211170,LiHo6B3O14,-8.5588699898,-3.6132369333,0.0148424647,0.0148424647,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Ho-Li-O,96.0,A3B6CD14_mP96_14_3e_6e_e_14e:B-Ho-Li-O +mp-1194144,U2Mn(AsO12)2,-6.4296424879,-0.9198631365,0.6462121439,0.6462121439,GGA+U,P-1,A2BC24D2_aP29_2_i_a_12i_i:As-Mn-O-U,29.0,A2BC24D2_aP29_2_i_a_12i_i:As-Mn-O-U +mp-1199293,U2Mn(AsO10)2,-6.8513605108,-1.2514866569,0.5651606683,0.5651606683,GGA+U,P-1,A2BC20D2_aP50_2_2i_i_20i_2i:As-Mn-O-U,50.0,A2BC20D2_aP50_2_2i_i_20i_2i:As-Mn-O-U +mp-1195214,BaB4(SbO6)2,-7.6779138547,-2.6118712738000003,0.0,-0.0125163009,GGA,C2/c,A4BC12D2_mC76_15_2f_e_6f_ce:B-Ba-O-Sb,38.0,A4BC12D2_mC76_15_2f_e_6f_ae:B-Ba-O-Sb +mp-1228848,CsBS2,-5.0588004038,-1.0968769346,0.0,-0.0558409866,GGA,Immm,ABC2_oI16_71_e_e_eg:B-Cs-S,8.0,ABC2_oI16_71_e_e_eg:B-Cs-S +mp-30222,Cs3BS3,-4.3631537004,-1.2524467735,0.0,-0.1427867539,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:B-Cs-S,28.0,AB3C3_mP28_14_e_3e_3e:B-Cs-S +mp-559238,CsLi2BS3,-4.6938740468,-1.2935898358,0.0,-0.0223304861,GGA,Pnma,ABC2D3_oP28_62_c_c_d_cd:B-Cs-Li-S,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_d_2c3d:B-Cs-Li-S, expected CsLi2BS8 to be CsLi2BS3" +mp-29410,Li2B2S5,-5.2031694272,-0.9966273595,0.0,-0.0089699971,GGA,Cmcm,A2B2C5_oC36_63_g_e_c2g:B-Li-S,18.0,A2B2C5_oC36_63_g_e_c2g:B-Li-S +mp-532413,Li5B7S13,-5.4055147984,-1.0025465985,0.0,-0.0254072079,GGA,Cc,A7B5C13_mC200_9_14a_10a_26a:B-Li-S,100.0,"Invalid WP multiplicities - A7B5C13_mC200_9_22a_11a_43a:B-Li-S, expected Li11B22S43 to be Li5B7S13" +mp-5614,Li3BS3,-4.7985265196,-1.2534536666,0.0,-0.0054102658,GGA,Pnma,AB3C3_oP28_62_c_cd_cd:B-Li-S,28.0,AB3C3_oP28_62_c_cd_cd:B-Li-S +mp-1200467,Cs4(BS)9,-5.5751836118,-0.9877206924,0.0,-0.1342825885,GGA,P-1,A9B4C9_aP44_2_9i_4i_9i:B-Cs-S,44.0,A9B4C9_aP44_2_9i_4i_9i:B-Cs-S +mp-1225167,Gd3Y3Fe23,-8.8814129048,-0.0387140121,0.0090208505,0.0090208505,GGA,R3m,A23B3C3_hR87_160_5a6b_b_b:Fe-Gd-Y,29.0,A23B3C3_hR87_160_5a6b_b_b:Fe-Gd-Y +mp-1225082,Gd3Y(FeO3)4,-9.9056355355,-2.8088761751,0.0025773093,0.0025773093,GGA+U,Pm,A4B3C12D_mP20_6_2c_a2b_2a2b4c_a:Fe-Gd-O-Y,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_6_4c_a2b_2a2b8c_a:Fe-Gd-O-Y, expected Gd3Y(Fe2O5)4 to be Gd3Y(FeO3)4" +mp-1224573,GdY3(FeO3)4,-9.155805858,-2.8200116102,0.0103189455,0.0103189455,GGA+U,Pm,A4BC12D3_mP20_6_2c_a_2a2b4c_a2b:Fe-Gd-O-Y,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_6_4c_a_2a2b8c_a2b:Fe-Gd-O-Y, expected GdY3(Fe2O5)4 to be GdY3(FeO3)4" +mp-1224655,GdY(FeO3)2,-9.532571642,-2.8162948379,0.0045971822,0.0045971822,GGA+U,Pmc2_1,A2BC6D_oP20_26_c_a_ab2c_b:Fe-Gd-O-Y,20.0,"Invalid WP multiplicities - A2BC6D_oP20_26_c_a_ab3c_b:Fe-Gd-O-Y, expected GdY(FeO4)2 to be GdY(FeO3)2" +mp-1190998,PrPS,-6.4913555287,-1.7144694859,0.0,-0.0604713693,GGA,Pnma,ABC_oP24_62_d_2c_2c:P-Pr-S,24.0,ABC_oP24_62_d_2c_2c:P-Pr-S +mp-9362,RbPrS2,-5.56862276,-2.0600378697,0.0,-0.1523146594,GGA,R-3m,ABC2_hR12_166_a_b_c:Pr-Rb-S,4.0,ABC2_hR12_166_a_b_c:Pr-Rb-S +mp-555448,Rb3Pr3(PS4)4,-5.4363903667,-1.3932854675000002,0.0,-0.0382340214,GGA,P-1,A4B3C3D16_aP52_2_4i_3i_3i_16i:P-Pr-Rb-S,52.0,"Invalid WP multiplicities - A4B3C3D16_aP52_2_8i_4i_6i_32i:P-Pr-Rb-S, expected Rb3Pr2(PS4)4 to be Rb3Pr3(PS4)4" +mp-3954,PrPS4,-5.8602042115,-1.4035362566,0.0,-0.1116311633,GGA,I4_1/acd,ABC4_tI96_142_e_ab_2g:P-Pr-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_e_ab_3g:P-Pr-S, expected PrPS6 to be PrPS4" +mp-1193634,CsSnPS4,-4.7572332064000005,-0.9195080348,0.0,-0.0047337232,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cs-P-S-Sn,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_3c2d_c:Cs-P-S-Sn, expected CsSnPS7 to be CsSnPS4" +mp-1192699,LuCo(CN)6,-8.611941892499999,-0.2533539768,0.1630899853,0.1630899853,GGA,P6_3/mmc,A6BCD6_hP28_194_k_a_c_k:C-Co-Lu-N,28.0,A6BCD6_hP28_194_k_a_c_k:C-Co-Lu-N +mp-568116,Lu2(CN2)3,-8.8740669491,-0.9879881248,0.0451846005,-0.2396164711,GGA,R32,A3B2C6_hR33_155_d_c_f:C-Lu-N,11.0,A3B2C6_hR33_155_d_c_f:C-Lu-N +mp-607712,Lu2(CN2)3,-8.9192515495,-1.0331727252,0.0,-0.2848010716,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Lu-N,22.0,A3B2C6_hR66_167_e_c_f:C-Lu-N +mp-1222260,LuCoC,-7.2613797767,-0.3087351742,0.055308705,0.0274772362,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Lu,3.0,ABC_tP3_123_a_b_c:C-Co-Lu +mp-22714,LuCoC,-7.3166884817,-0.3640438792,0.0,-0.0278314688,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Lu,6.0,ABC_tP6_131_c_a_f:C-Co-Lu +mp-1001614,LuCoC2,-7.88576412,-0.364114295,0.0,-0.0910813856,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Lu,4.0,A2BC_oC8_38_d_a_b:C-Co-Lu +mp-1147770,In2Co(SO)2,-4.5273883971,-0.1305366241,1.2250223667,1.2250223667,GGA+U,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Co-In-O-S,7.0,AB2C2D2_tI14_139_a_d_c_e:Co-In-O-S +mp-541917,Na2Te4WO12,-6.3939228016000005,-1.7867297003,0.0,-0.013181698,GGA+U,C2/c,A2B12C4D_mC76_15_f_6f_2f_e:Na-O-Te-W,38.0,A2B12C4D_mC76_15_f_6f_2f_e:Na-O-Te-W +mp-1212664,Na8Te4W7O36,-6.9324862003,-1.6244656342,0.3997433977,0.3997433977,GGA+U,Cc,A8B36C4D7_mC220_9_8a_36a_4a_7a:Na-O-Te-W,110.0,A8B36C4D7_mC220_9_8a_36a_4a_7a:Na-O-Te-W +mp-723466,Na2TeW2O9,-7.5211163895,-2.0764867222,0.0017199424,0.0017199424,GGA+U,Cc,A2B9CD2_mC224_9_8a_36a_4a_8a:Na-O-Te-W,112.0,A2B9CD2_mC224_9_8a_36a_4a_8a:Na-O-Te-W +mp-1204538,Na6Te(W3O23)2,-6.1517803332,-0.7894935578000001,0.5568122586,0.5568122586,GGA+U,P-1,A6B46CD6_aP59_2_3i_23i_a_3i:Na-O-Te-W,59.0,A6B46CD6_aP59_2_3i_23i_a_3i:Na-O-Te-W +mp-1196632,La9Sb5CO4,-7.0735486771,-2.1217333886,0.0129410245,0.0129410245,GGA,P4/n,AB9C4D5_tP38_85_c_c2g_g_cg:C-La-O-Sb,38.0,AB9C4D5_tP38_85_c_c2g_g_cg:C-La-O-Sb +mp-1200169,La14Sb8CO7,-7.1358465908,-2.2694600621,0.014810421,0.014810421,GGA,P4bm,AB14C7D8_tP60_100_a_ab2c2d_bcd_abcd:C-La-O-Sb,60.0,AB14C7D8_tP60_100_a_ab2c2d_bcd_abcd:C-La-O-Sb +mp-1518149,KTbTi4O12,-8.2763777711,-2.9048779017,0.2065695899,0.2065695899,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Tb-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Tb-Ti, expected KTbTi4O18 to be KTbTi4O12" +mp-555990,Er2SiSO4,-8.2717429694,-3.4612479241000003,0.0197608106,0.0197608106,GGA,Cmce,A2B4CD_oC64_64_ef_2g_f_e:Er-O-S-Si,32.0,"Invalid WP multiplicities - A2B4CD_oC64_64_3e3f_10g_f_e:Er-O-S-Si, expected Er6SiSO20 to be Er2SiSO4" +mp-6316,Er4Si2S3O7,-8.0174771437,-3.2576220263,0.0292757324,0.0292757324,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Er-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Er-O-S-Si +mp-1028299,Mg14VGa,-2.1010630525,0.056182122,0.1100335355,0.1100335355,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-V, expected Mg18VGa to be Mg14VGa" +mp-1028296,Mg14VGa,-2.1026312888,0.0546138858,0.1084652993,0.1084652993,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-V, expected Mg26VGa to be Mg14VGa" +mp-1021685,Mg6VGa,-2.6047130394,0.1094972597,0.1905194847,0.1905194847,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-V, expected Mg12VGa to be Mg6VGa" +mp-1021686,Mg6VGa,-2.6109904988,0.1032198003,0.1842420253,0.1842420253,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-V, expected Mg12VGa to be Mg6VGa" +mp-2229017,MgV2(Ga2O5)2,-7.0688586912,-2.2837196681,0.1746392783,0.1746392783,GGA+U,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-V,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-V +mp-2229821,MgV2(Ga2O5)2,-7.1629788465,-2.3778398234,0.080519123,0.080519123,GGA+U,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-V,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Ga-Mg-O-V +mp-1208340,TcNO2,-6.577576305,0.5700515181,1.9832111894,1.9832111894,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:N-O-Tc,16.0,AB2C_tI32_141_c_h_d:N-O-Tc +mp-1105978,PtN3O4,-5.85218862,0.5062329975000001,1.1117003825,1.1117003825,GGA,P-1,A3B4C_aP16_2_3i_4i_i:N-O-Pt,16.0,A3B4C_aP16_2_3i_4i_i:N-O-Pt +mp-1179950,PtN3O4,-6.2306207069,0.1278009106,0.7332682956000001,0.7332682956000001,GGA,P-1,A3B4C_aP16_2_3i_4i_i:N-O-Pt,16.0,A3B4C_aP16_2_3i_4i_i:N-O-Pt +mp-1204078,PtN3O4,-5.9824582915,0.375963326,0.981430711,0.981430711,GGA,P-1,A3B4C_aP48_2_9i_12i_3i:N-O-Pt,48.0,A3B4C_aP48_2_9i_12i_3i:N-O-Pt +mp-1105334,Tc2Pt(NO2)4,-7.3209865167,-0.6735264767,0.5031772027,0.5031772027,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc +mp-1179029,Tc2Pt(NO2)4,-7.1922684347,-0.5448083947,0.6318952847,0.6318952847,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc +mp-1237055,Tc2Pt(NO2)4,-7.314014222,-0.666554182,0.5101494973,0.5101494973,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Tc +mp-1179874,Pt(NO3)2,-5.7709532944,0.0539639764,0.8211999989000001,0.8211999989000001,GGA,P-1,A2B6C_aP9_2_i_3i_a:N-O-Pt,9.0,"Invalid WP multiplicities - A2B6C_aP9_2_i_6i_a:N-O-Pt, expected Pt(NO6)2 to be Pt(NO3)2" +mp-1179964,Pt(NO3)2,-5.9528677067,-0.1279504358,0.6392855867,0.6392855867,GGA,P-1,A2B6C_aP9_2_i_3i_a:N-O-Pt,9.0,"Invalid WP multiplicities - A2B6C_aP9_2_i_6i_a:N-O-Pt, expected Pt(NO6)2 to be Pt(NO3)2" +mp-1079006,Pt(NO3)2,-6.3333168633,-0.5083995925,0.25883643,0.25883643,GGA,R-3,A2B6C_hR27_148_c_f_a:N-O-Pt,9.0,A2B6C_hR27_148_c_f_a:N-O-Pt +mp-1179922,Pt(NO2)2,-5.9684400964,0.10739962,0.7993623457,0.7993623457,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_ad:N-O-Pt,28.0,A2B4C_mP28_14_2e_4e_ad:N-O-Pt +mp-1202899,Pt(NO)6,-5.6687410513,0.9289693438,1.460132744,1.460132744,GGA,C2/c,A6B6C_mC104_15_6f_6f_cd:N-O-Pt,52.0,A6B6C_mC104_15_6f_6f_ab:N-O-Pt +mp-1199962,Pt(N2O3)2,-6.114333936,0.1672338174,0.7949723812,0.7949723812,GGA,Pbca,A4B6C_oP88_61_4c_6c_c:N-O-Pt,88.0,A4B6C_oP88_61_4c_6c_c:N-O-Pt +mp-1211957,K2LuF5,-5.8273834063,-3.7899904998,0.0,-0.0032260311,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Lu,32.0,A5B2C_oP32_62_3cd_d_c:F-K-Lu +mp-1211665,K3LuF6,-5.570743491,-3.6386413744,0.0,-0.01946487,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-K-Lu,20.0,A6B3C_mP20_14_3e_ae_b:F-K-Lu +mp-1205912,K3LuF6,-5.5128039300000005,-3.5807018134,0.057939561,0.038474691,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Lu,10.0,A6B3C_cF40_225_e_ac_b:F-K-Lu +mp-1212061,KLu3F10,-6.7273801798,-4.3139487382,0.0018267816,-0.0500886066,GGA,P6_3mc,A10BC3_hP56_186_2b4cd_ab_2c:F-K-Lu,56.0,A10BC3_hP56_186_2b4cd_ab_2c:F-K-Lu +mp-1211423,KLu3F10,-6.7292069614,-4.3157755199,0.0,-0.0519153882,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-K-Lu,28.0,A10BC3_cF112_225_fh_c_e:F-K-Lu +mp-1211480,KLiLuF5,-5.9595402019,-3.8223318055,0.0,-0.0020673287,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Lu,32.0,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Lu +mp-1110977,Cs2YCuF6,-5.534737802,-3.1522021688,0.0841891205,0.0841891205,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-Y +mp-1111092,Na2YAgF6,-5.316916816,-2.9756216651000003,0.239555283,0.239555283,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Na-Y +mp-1114178,KRb2InI6,-2.764620747,-1.2982858548,0.0934752737,0.0934752737,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:I-In-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:I-In-K-Rb +mp-1112438,K2AlAuI6,-2.798246535,-0.9902011526,0.149166806,0.149166806,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-I-K +mp-1195159,Tb2SeOF2,-7.3313299089,-3.7422815216,0.0,-0.0051005266,GGA,P6_3/m,A2BCD2_hP36_176_2h_h_h_2h:F-O-Se-Tb,36.0,A2BCD2_hP36_176_2h_h_h_2h:F-O-Se-Tb +mp-1112194,K2TaHgF6,-5.364193952,-2.7790809826,0.2673975403,0.2673975403,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ta +mp-1213400,DyN7O15,-6.4970919158000005,-0.5335013948,0.5589794981,0.5589794981,GGA,P3_121,AB7C15_hP69_152_a_2ab2c_a7c:Dy-N-O,69.0,"Invalid WP multiplicities - AB7C15_hP69_152_a_2ab4c_a14c:Dy-N-O, expected DyN11O29 to be DyN7O15" +mp-734031,CsDyN4O15,-6.171685711,-0.7884238262000001,0.4512834212,0.4512834212,GGA,P2_1/c,ABC4D15_mP84_14_e_e_4e_15e:Cs-Dy-N-O,84.0,ABC4D15_mP84_14_e_e_4e_15e:Cs-Dy-N-O +mp-1213432,Dy6N8O33,-7.0819538736,-1.6016685989,0.1841779056,0.1841779056,GGA,P-1,A6B8C33_aP47_2_3i_4i_a16i:Dy-N-O,47.0,A6B8C33_aP47_2_3i_4i_a16i:Dy-N-O +mp-1182296,Dy(NO5)3,-6.1912132297,-0.7271815306,0.2698134783,0.2698134783,GGA,P-1,AB3C15_aP38_2_i_3i_15i:Dy-N-O,38.0,AB3C15_aP38_2_i_3i_15i:Dy-N-O +mp-1199424,Dy(NO5)3,-5.9424983108,-0.4784666116,0.5185283972,0.5185283972,GGA,P-1,AB3C15_aP38_2_i_3i_15i:Dy-N-O,38.0,AB3C15_aP38_2_i_3i_15i:Dy-N-O +mp-1379141,Dy(NO5)3,-4.5753317376,0.8886999615000001,1.8856949704,1.8856949704,GGA,P-1,AB3C15_aP38_2_i_3i_15i:Dy-N-O,38.0,AB3C15_aP38_2_i_3i_15i:Dy-N-O +mp-1442753,Dy(NO5)3,-4.1425278145,1.3215038847,2.3184988936,2.3184988936,GGA,P-1,AB3C15_aP38_2_i_3i_15i:Dy-N-O,38.0,AB3C15_aP38_2_i_3i_15i:Dy-N-O +mp-1193457,DyN3O10,-6.8465733207,-1.1977762687,0.1552883862,0.1552883862,GGA,P-1,AB3C10_aP28_2_i_3i_10i:Dy-N-O,28.0,AB3C10_aP28_2_i_3i_10i:Dy-N-O +mp-1213404,DyN3O14,-6.0975191258,-0.6047461496000001,0.4476374709,0.4476374709,GGA,P-1,AB3C14_aP36_2_i_3i_14i:Dy-N-O,36.0,AB3C14_aP36_2_i_3i_14i:Dy-N-O +mp-1196716,Dy(NO3)3,-7.1599519373,-1.4571465514,0.0,-0.1844213641,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Dy-N-O,52.0,AB3C9_mP52_14_e_3e_9e:Dy-N-O +mp-27535,Ca(IO3)2,-5.3882418869,-1.5401902372,0.0,-0.1096286998,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ca-I-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_2e_23e:Ca-I-O, expected CaI2O23 to be Ca(IO3)2" +mp-1182749,Ca(IO6)2,-4.67413498,-0.3866285057,0.5374856367,0.5374856367,GGA,Fdd2,AB2C12_oF120_43_a_b_6b:Ca-I-O,30.0,AB2C12_oF120_43_a_b_6b:Ca-I-O +mp-1193459,Ca(IO6)2,-4.7672708230000005,-0.4797643487,0.4443497937,0.4443497937,GGA,Fdd2,AB2C12_oF120_43_a_b_6b:Ca-I-O,30.0,AB2C12_oF120_43_a_b_6b:Ca-I-O +mp-1193528,Ca(IO6)2,-4.636156625,-0.3486501507,0.5754639917000001,0.5754639917000001,GGA,Fdd2,AB2C12_oF120_43_a_b_6b:Ca-I-O,30.0,AB2C12_oF120_43_a_b_6b:Ca-I-O +mp-725059,Ca(IO2)2,-4.8568958607,-1.3227405143,0.27287618,0.27287618,GGA,P2_1/c,AB2C4_mP14_14_a_e_2e:Ca-I-O,14.0,AB2C4_mP14_14_a_e_2e:Ca-I-O +mp-1196062,Ca5(IO6)2,-6.1715719671,-2.3644668811000003,0.0,-0.2416887554,GGA,R-3c,A5B2C12_hR342_167_ac2f_bce_6f:Ca-I-O,114.0,A5B2C12_hR342_167_ac2f_bce_6f:Ca-I-O +mp-755949,Ca4I6O,-4.0769269455,-2.0942645517,0.0845436309,0.0845436309,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ca-I-O,22.0,"Invalid WP multiplicities - A4B6C_hP22_186_2b3c_9c_b:Ca-I-O, expected Ca11I27O to be Ca4I6O" +mp-1182422,Ca2I4O13,-5.2025370011,-1.2966623481,0.1624652451,0.1624652451,GGA,C2/c,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O,38.0,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O +mp-1196818,Ca2I4O13,-5.1664272008,-1.2605525478,0.1985750453,0.1985750453,GGA,C2/c,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O,38.0,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O +mp-734813,Ca2I4O13,-5.1842832453,-1.2784085923,0.1807190009,0.1807190009,GGA,C2/c,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O,38.0,A2B4C13_mC76_15_f_2f_e6f:Ca-I-O +mp-1189407,NaCa2IO6,-5.879858976,-2.2311366089,0.0,-0.0336366734,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-I-Na-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Ca-I-Na-O +mp-569824,Te2WCl6,-4.4193929189,-1.048730477,0.0242331207,0.0242331207,GGA,P-1,A6B2C_aP18_2_6i_2i_i:Cl-Te-W,18.0,"Invalid WP multiplicities - A6B2C_aP18_2_12i_4i_i:Cl-Te-W, expected Te4WCl12 to be Te2WCl6" +mp-662513,Te2WCl6,-4.4219455447,-1.0512831029,0.0216804949,0.0216804949,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:Cl-Te-W,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_24e_4e_e:Cl-Te-W, expected Te4WCl24 to be Te2WCl6" +mp-616228,Te4WCl6,-4.1852599625,-0.8559350749,0.0219442323,0.0219442323,GGA,C2/c,A6B4C_mC88_15_6f_4f_f:Cl-Te-W,44.0,"Invalid WP multiplicities - A6B4C_mC88_15_20f_14f_f:Cl-Te-W, expected Te14WCl20 to be Te4WCl6" +mp-669325,TeWCl9,-4.1893490523,-1.2131430465,0.039732699,0.039732699,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-Te-W,22.0,"Invalid WP multiplicities - A9BC_aP22_2_17i_i_i:Cl-Te-W, expected TeWCl17 to be TeWCl9" +mp-617352,Te3WICl6,-4.0788233241,-0.9013111223,0.0315977042,0.0315977042,GGA,P2_1/c,A6BC3D_mP44_14_6e_e_3e_e:Cl-I-Te-W,44.0,"Invalid WP multiplicities - A6BC3D_mP44_14_22e_e_8e_e:Cl-I-Te-W, expected Te8WICl22 to be Te3WICl6" +mp-1028307,Mg14VB,-2.137215555,0.2482356038,0.3643354754,0.3643354754,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-V, expected Mg18VB to be Mg14VB" +mp-1028283,Mg14VB,-2.1400457469,0.2454054119,0.3615052835,0.3615052835,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-V, expected Mg26VB to be Mg14VB" +mp-1021696,Mg6VB,-2.6965192744,0.4741029932,0.6946437088,0.6946437088,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-V, expected Mg12VB to be Mg6VB" +mp-1021779,Mg6VB,-2.9629762712,0.2076459964,0.4281867119,0.4281867119,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-V,8.0,AB6C_oC16_38_a_abde_b:B-Mg-V +mp-1105469,Mg2VB2Ir5,-7.4956103655,-0.5120683043,0.0,-0.0220380413,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-V,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Mg-V +mp-1189371,V2B2Ir,-8.7713487455,-0.6983427732,0.0487303505,0.0487303505,GGA,Pnnm,A2BC2_oP20_58_2g_g_2g:B-Ir-V,20.0,A2BC2_oP20_58_2g_g_2g:B-Ir-V +mp-1215978,YU(CrSi)4,-8.089712804,-0.2825784917,0.1326307687,0.1326307687,GGA,P4/mmm,A4B4CD_tP10_123_i_gh_a_d:Cr-Si-U-Y,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_i_2gh_c_b:Cr-Si-U-Y, expected YU(Cr2Si3)2 to be YU(CrSi)4" +mp-6450,K2LiAlP2,-3.7579284583,-0.6409448577,0.0,-0.0982364668,GGA,Ibam,AB2CD2_oI24_72_a_j_b_j:Al-K-Li-P,12.0,AB2CD2_oI24_72_a_j_b_j:Al-K-Li-P +mp-541684,K3AlP2,-3.4641391394,-0.4802428587,0.0,-0.1316637124,GGA,P-1,AB3C2_aP48_2_4i_12i_8i:Al-K-P,48.0,AB3C2_aP48_2_4i_12i_8i:Al-K-P +mp-1205759,Ba2YbUO6,-8.230685893,-3.5957758493,0.0,-0.1034872443,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Yb +mp-15885,Li2US3,-6.2315332825,-1.6450990585,0.0,-0.0405285625,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Li-S-U,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i2j_h:Li-S-U, expected Li2US6 to be Li2US3" +mp-1222743,Li2LuUS4,-6.3450097912,-1.8230090749,0.0301130627,0.0301130627,GGA,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Li-Lu-S-U,8.0,"Invalid WP multiplicities - A2BC4D_tI16_119_ac_b_2e2f_d:Li-Lu-S-U, expected Li2LuUS8 to be Li2LuUS4" +mp-556798,AgHg2PO4,-5.0920162066,-1.5120194459,0.0,-0.0298711082,GGA,Pbam,AB2C4D_oP32_55_h_i_2gi_g:Ag-Hg-O-P,32.0,"Invalid WP multiplicities - AB2C4D_oP32_55_h_i_7g6i_g:Ag-Hg-O-P, expected AgHg2PO19 to be AgHg2PO4" +mp-723419,Sb2S19F12,-4.7478405283,-1.4209224204,0.0,-0.2942112292,GGA,P2_1/c,A12B19C2_mP132_14_12e_19e_2e:F-S-Sb,132.0,A12B19C2_mP132_14_12e_19e_2e:F-S-Sb +mp-555288,SbS(BrF2)3,-4.1060075457,-1.8884248273,0.0,-0.141227993,GGA,P2_1/c,A3B6CD_mP44_14_3e_6e_e_e:Br-F-S-Sb,44.0,"Invalid WP multiplicities - A3B6CD_mP44_14_9e_22e_e_e:Br-F-S-Sb, expected SbSBr9F22 to be SbS(BrF2)3" +mp-560639,SbS(BrF2)3,-4.1047641159,-1.8871813976,0.0012434298,-0.1399845632,GGA,P2_12_12_1,A3B6CD_oP44_19_3a_6a_a_a:Br-F-S-Sb,44.0,"Invalid WP multiplicities - A3B6CD_oP44_19_10a_22a_a_a:Br-F-S-Sb, expected SbS(Br5F11)2 to be SbS(BrF2)3" +mp-14673,Sb9S4F39,-4.9638046558,-2.4973721488,0.0,-0.0150410171,GGA,P2_1/c,A39B4C9_mP208_14_39e_4e_9e:F-S-Sb,208.0,A39B4C9_mP208_14_39e_4e_9e:F-S-Sb +mp-1209733,SmZr6(PO4)9,-8.6780196416,-3.2394560632,0.0055424073,0.0055424073,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Sm-Zr,104.0,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Sm-Zr +mp-1035835,YHfMg14O16,-6.5587811212,-2.8720748643,0.2047323684,0.2047323684,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Y, expected YHfMg18O20 to be YHfMg14O16" +mp-1035801,YHfMg14O16,-6.5561297337,-2.8694234768,0.2073837559,0.2073837559,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Y, expected YHfMg30O32 to be YHfMg14O16" +mp-1032610,YHfMg6O8,-6.9085228612,-2.8085947279,0.290979438,0.290979438,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Y, expected YHfMg6O12 to be YHfMg6O8" +mp-1031943,YHfMg6O8,-6.8235010137,-2.7235728804,0.3760012855,0.3760012855,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Y, expected YHfMg6O12 to be YHfMg6O8" +mp-1037203,YHfMg30O32,-6.4376880352,-2.9575927164,0.1078310496,0.1078310496,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Y, expected YHfMg90O80 to be YHfMg30O32" +mp-1037237,YHfMg30O32,-6.4354855894,-2.9553902706,0.1100334954,0.1100334954,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Y, expected YHfMg110O72 to be YHfMg30O32" +mp-1022603,YHfMg6,-3.1576916456,0.0954759098,0.1499970206,0.1499970206,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Y, expected YHfMg12 to be YHfMg6" +mp-1022697,YHfMg6,-3.2183449775,0.0348225779,0.0893436887,0.0893436887,GGA,Cmmm,AB6C_oC16_65_a_ehj_b:Hf-Mg-Y,8.0,AB6C_oC16_65_a_ehj_b:Hf-Mg-Y +mp-1027969,YHfMg14,-2.3868387725,0.0398850302,0.0793107905,0.0793107905,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Y, expected YHfMg18 to be YHfMg14" +mp-1027952,YHfMg14,-2.3659081106,0.0608156921,0.1002414524,0.1002414524,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Y, expected YHfMg26 to be YHfMg14" +mp-1219308,ScNiBO4,-8.306427684300001,-2.7951773413,0.0085320243,0.0085320243,GGA+U,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Ni-O-Sc,28.0,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Ni-O-Sc +mp-15553,KGd2CuS4,-8.1553182775,-1.9168620819,0.0,-0.0330593841,GGA,Cmcm,AB2CD4_oC32_63_c_f_c_acf:Cu-Gd-K-S,16.0,"Invalid WP multiplicities - AB2CD4_oC32_63_c_f_c_ac2f:Cu-Gd-K-S, expected KGd2CuS6 to be KGd2CuS4" +mp-1025041,ThB2Pd2C,-7.23406817,-0.5072230193,0.1053894882,0.1053894882,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Pd-Th,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Pd-Th +mp-550820,SmZnPO,-6.1075627112,-2.0229824705,0.0,-0.0622338486,GGA,R-3m,ABCD_hR24_166_c_c_c_c:O-P-Sm-Zn,8.0,ABCD_hR24_166_c_c_c_c:O-P-Sm-Zn +mp-1216724,V(FeS2)2,-6.9838870657,-0.9024945004,0.0620982774,0.0620982774,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Fe-S-V,7.0,A2B4C_mC14_8_2a_4a_a:Fe-S-V +mp-1100962,V2FeS4,-7.2536633218,-1.0845729193,0.048043148,0.048043148,GGA,P1,AB4C2_aP28_1_4a_16a_8a:Fe-S-V,28.0,AB4C2_aP28_1_4a_16a_8a:Fe-S-V +mp-561419,V2FeS4,-7.2669345657,-1.0978441632,0.034771904,0.034771904,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-S-V,7.0,AB4C2_mC14_12_a_2i_i:Fe-S-V +mp-1216499,V3FeS6,-7.175140451,-1.1210965889,0.043783621,0.043783621,GGA,R-3,AB6C3_hR30_148_a_f_bc:Fe-S-V,10.0,AB6C3_hR30_148_a_f_bc:Fe-S-V +mp-1222803,Li2VFeS4,-5.8792174212,-1.1395208611,0.0789325446,0.0789325446,GGA,P-3m1,AB2C4D_hP8_164_a_c_2d_b:Fe-Li-S-V,8.0,"Invalid WP multiplicities - AB2C4D_hP8_164_a_c_3d_b:Fe-Li-S-V, expected Li2VFeS6 to be Li2VFeS4" +mp-20099,In6WO12,-6.6989507805,-2.0237667203,0.0148996401,0.0148996401,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:In-O-W,19.0,A6B12C_hR57_148_f_2f_a:In-O-W +mp-694318,In2(WO4)3,-8.1782502463,-2.0760136178,0.058745898,0.058745898,GGA+U,P2_1/c,A2B12C3_mP136_14_4e_24e_6e:In-O-W,136.0,"Invalid WP multiplicities - A2B12C3_mP136_14_14e_93e_22e:In-O-W, expected In14W22O93 to be In2(WO4)3" +mp-553953,In2(WO4)3,-8.1808740976,-2.0786374691,0.0561220467,0.0561220467,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:In-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_42d_3c4d:In-O-W, expected In2W11O84 to be In2(WO4)3" +mp-672012,InCu(WO4)2,-7.9452182738,-1.9168298946,0.0412100923,0.0412100923,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cu-In-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_e_12f_f:Cu-In-O-W, expected InCu(WO12)2 to be InCu(WO4)2" +mp-861445,In2WO6,-7.3887682636,-2.0396982683,0.0443454154,0.0443454154,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:In-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_ef2g_23g_g:In-O-W, expected In3WO23 to be In2WO6" +mp-772264,In2WO6,-7.3972050708,-2.0481350756,0.0359086082,0.0359086082,GGA+U,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:In-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:In-O-W, expected In5WO21 to be In2WO6" +mp-768725,In2WO6,-7.4183032028,-2.0692332075,0.0148104763,0.0148104763,GGA+U,P2_12_12_1,A2B6C_oP72_19_4a_12a_2a:In-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_19_13a_45a_5a:In-O-W, expected In13(WO9)5 to be In2WO6" +mp-778752,In2WO6,-7.3774113664,-2.0283413711,0.0557023126,0.0557023126,GGA+U,Pbca,A2B6C_oP72_61_2c_6c_c:In-O-W,72.0,"Invalid WP multiplicities - A2B6C_oP72_61_5c_21c_c:In-O-W, expected In5WO21 to be In2WO6" +mp-1201222,B4Pb6O13,-6.9341744492,-2.0080699819,0.0935245681,0.0935245681,GGA,Pnma,A4B13C6_oP92_62_2cd_3c5d_2c2d:B-O-Pb,92.0,A4B13C6_oP92_62_2cd_3c5d_2c2d:B-O-Pb +mp-769033,Bi3BO6,-6.712259974,-1.9241608312,0.0668298709,0.0668298709,GGA,Pnma,AB3C6_oP40_62_c_cd_2c2d:B-Bi-O,40.0,"Invalid WP multiplicities - AB3C6_oP40_62_c_3c2d_6c7d:B-Bi-O, expected Bi7BO20 to be Bi3BO6" +mp-23356,Bi4B2O9,-6.9832806125,-2.1005513816,0.0,-0.0123557192,GGA,P2_1/c,A2B4C9_mP60_14_2e_4e_9e:B-Bi-O,60.0,"Invalid WP multiplicities - A2B4C9_mP60_14_2e_4e_12e:B-Bi-O, expected Bi2BO6 to be Bi4B2O9" +mp-769030,Bi5BO10,-6.4206291594,-1.711333876,0.0995412856,0.0995412856,GGA,P2_1/c,AB5C10_mP64_14_e_5e_10e:B-Bi-O,64.0,"Invalid WP multiplicities - AB5C10_mP64_14_e_17e_35e:B-Bi-O, expected Bi17BO35 to be Bi5BO10" +mp-1201012,B8PbO15,-7.8140434336,-2.3412054376,0.1537062044,0.1537062044,GGA,P2_1/c,A8B15C_mP96_14_8e_15e_e:B-O-Pb,96.0,A8B15C_mP96_14_8e_15e_e:B-O-Pb +mp-769061,Bi4(BO4)3,-6.6409812379,-1.6535919554,0.4054305184,0.4054305184,GGA,Pc,A3B4C12_mP38_7_3a_4a_12a:B-Bi-O,38.0,A3B4C12_mP38_7_6a_8a_24a:B-Bi-O +mp-769052,Bi4(BO4)3,-6.9649026724,-1.9775133899,0.0815090839,0.0815090839,GGA,I-43d,A3B4C12_cI76_220_a_c_e:B-Bi-O,38.0,A3B4C12_cI76_220_a_c_e:B-Bi-O +mp-9747,B4PbO7,-8.0695015071,-2.6480819127,0.0,-0.023653136,GGA,Pmn2_1,A4B7C_oP24_31_2b_a3b_a:B-O-Pb,24.0,"Invalid WP multiplicities - A4B7C_oP24_31_3b_a6b_a:B-O-Pb, expected B6PbO13 to be B4PbO7" +mp-1203040,B2Pb4O7,-6.8806591642,-2.0471058719,0.0,-0.0104159526,GGA,Aea2,A2B7C4_oC104_41_2b_2a6b_4b:B-O-Pb,52.0,A2B7C4_oC104_41_2b_2a6b_4b:B-O-Pb +mp-1182647,B10Pb3O20,-7.7862651977,-2.426700557,0.0448827645,0.0448827645,GGA,Cc,A10B20C3_mC132_9_10a_20a_3a:B-O-Pb,66.0,"Invalid WP multiplicities - A10B20C3_mC132_9_19a_38a_6a:B-O-Pb, expected B19(Pb3O19)2 to be B10Pb3O20" +mp-754692,Bi2BO5,-6.8391755838,-1.9524488854,0.0396858594,0.0396858594,GGA,Cmc2_1,AB2C5_oC32_36_a_b_a2b:B-Bi-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_36_a_b_a3b:B-Bi-O, expected Bi2BO7 to be Bi2BO5" +mp-1079609,Bi(BO2)3,-7.932483761,-2.57660409,0.006123966,0.0011824955,GGA,P1,A3BC6_aP10_1_3a_a_6a:B-Bi-O,10.0,A3BC6_aP10_1_3a_a_6a:B-Bi-O +mp-23349,Bi(BO2)3,-7.937268249,-2.581388578,0.001339478,-0.0036019925,GGA,C2,A3BC6_mC20_5_ac_b_3c:B-Bi-O,10.0,"Invalid WP multiplicities - A3BC6_mC20_5_ac_b_4c:B-Bi-O, expected BiB3O8 to be Bi(BO2)3" +mp-557351,Bi(BO2)3,-7.9220811515,-2.5662014805,0.0165265755,0.011585105,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:B-Bi-O,40.0,"Invalid WP multiplicities - A3BC6_mP40_14_11e_e_20e:B-Bi-O, expected BiB11O20 to be Bi(BO2)3" +mp-556548,Bi(BO2)3,-7.938607727,-2.582728056,0.0,-0.0049414705,GGA,P2_1/c,A3BC6_mP40_14_3e_e_6e:B-Bi-O,40.0,"Invalid WP multiplicities - A3BC6_mP40_14_7e_e_20e:B-Bi-O, expected BiB7O20 to be Bi(BO2)3" +mp-554718,Bi(BO2)3,-7.9230093575,-2.5671296865,0.0155983695,0.010656899,GGA,Pca2_1,A3BC6_oP40_29_3a_a_6a:B-Bi-O,40.0,"Invalid WP multiplicities - A3BC6_oP40_29_10a_a_24a:B-Bi-O, expected Bi(B5O12)2 to be Bi(BO2)3" +mp-556601,BiBPbO4,-6.9621135971,-2.102216052,0.0,-0.0264786571,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:B-Bi-O-Pb,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:B-Bi-O-Pb, expected BiBPbO13 to be BiBPbO4" +mp-1193553,BiBPbO4,-6.9620445675,-2.1021470224,6.902960000000001e-05,-0.0264096274,GGA,Cmce,ABC4D_oC56_64_e_d_efg_f:B-Bi-O-Pb,28.0,ABC4D_oC56_64_e_d_efg_f:B-Bi-O-Pb +mp-984554,BPbO3,-6.110985154,-1.0645641591,1.0795439214,1.0795439214,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Pb,5.0,AB3C_cP5_221_b_c_a:B-O-Pb +mp-768871,Bi6B10O21,-7.5473797873,-2.3117766677,0.0937352111,0.0937352111,GGA,P-1,A10B6C21_aP37_2_5i_3i_a10i:B-Bi-O,37.0,"Invalid WP multiplicities - A10B6C21_aP37_2_9i_5i_a19i:B-Bi-O, expected Bi10(B6O13)3 to be Bi6B10O21" +mp-1198385,Bi2B8O15,-8.0440673216,-2.6314095978000003,6.20972e-05,-0.0054632157,GGA,P-1,A8B2C15_aP50_2_8i_2i_15i:B-Bi-O,50.0,A8B2C15_aP50_2_8i_2i_15i:B-Bi-O +mp-542931,Bi2B8O15,-8.0441294188,-2.631471695,0.0,-0.0055253129,GGA,P2_1,A8B2C15_mP50_4_8a_2a_15a:B-Bi-O,50.0,A8B2C15_mP50_4_8a_2a_15a:B-Bi-O +mp-23549,Bi3B5O12,-7.6575083507,-2.4435738118,0.0,-0.0016402028,GGA,Pnma,A5B3C12_oP80_62_3cd_cd_6c3d:B-Bi-O,80.0,A5B3C12_oP80_62_3cd_cd_6c3d:B-Bi-O +mp-27184,B10(Pb2O7)3,-7.674336377599999,-2.4594644028,0.0,-0.0153674582,GGA,P-1,A10B21C6_aP37_2_5i_a10i_3i:B-O-Pb,37.0,"Invalid WP multiplicities - A10B21C6_aP37_2_5i_a13i_3i:B-O-Pb, expected B10(Pb2O9)3 to be B10(Pb2O7)3" +mp-768314,BiB2O5,-7.4970557372,-2.2554662087,0.0814480941,0.0814480941,GGA,C2/c,A2BC5_mC64_15_2f_f_5f:B-Bi-O,32.0,"Invalid WP multiplicities - A2BC5_mC64_15_7f_f_15f:B-Bi-O, expected BiB7O15 to be BiB2O5" +mp-768969,Bi3B7O12,-7.7239890411,-2.3768311175,0.0724663295,0.0724663295,GGA,P-1,A7B3C12_aP44_2_7i_3i_12i:B-Bi-O,44.0,"Invalid WP multiplicities - A7B3C12_aP44_2_13i_5i_23i:B-Bi-O, expected Bi5B13O23 to be Bi3B7O12" +mp-1199204,B11(Pb2O9)3,-7.3104854904,-2.0988994199,0.1785416274,0.1785416274,GGA,P3_2,A11B27C6_hP132_145_11a_27a_6a:B-O-Pb,132.0,A11B27C6_hP132_145_11a_27a_6a:B-O-Pb +mp-768923,Bi4(B2O5)3,-7.5957907298,-2.4102452172,0.0048416646,0.0048416646,GGA,C2/c,A6B4C15_mC100_15_3f_2f_e7f:B-Bi-O,50.0,"Invalid WP multiplicities - A6B4C15_mC100_15_11f_7f_2e25f:B-Bi-O, expected Bi7B11O26 to be Bi4(B2O5)3" +mp-1191820,Bi3(B3O7)2,-7.6324225161,-2.3780112129,0.0605080596,0.0605080596,GGA,P1,A6B3C14_aP23_1_6a_3a_14a:B-Bi-O,23.0,A6B3C14_aP23_1_6a_3a_14a:B-Bi-O +mp-753903,Bi2B2O7,-7.0816080809,-2.0210096463,0.0814173146,0.0814173146,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-768910,Bi2B2O7,-6.8071713286,-1.7465728941,0.3558540669,0.3558540669,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-768952,Bi2B2O7,-6.7715497655,-1.7109513309,0.39147563,0.39147563,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-768989,Bi2B2O7,-6.8004123764,-1.7398139418,0.3626130191,0.3626130191,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-852825,Bi2B2O7,-4.4045470523,0.6560513823,2.7584783432,2.7584783432,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-756526,Bi2B2O7,-7.0823284014,-2.0217299668,0.0806969941,0.0806969941,GGA,P-1,A2B2C7_aP22_2_2i_2i_7i:B-Bi-O,22.0,"Invalid WP multiplicities - A2B2C7_aP22_2_3i_3i_13i:B-Bi-O, expected Bi3B3O13 to be Bi2B2O7" +mp-1200351,B12Pb6O25,-7.6577112184,-2.3996693242,0.0616527485,0.0616527485,GGA,R-3m,A12B25C6_hR129_166_fh_a2hi_h:B-O-Pb,43.0,A12B25C6_hR129_166_fh_a2hi_h:B-O-Pb +mp-775842,Bi24B2O39,-6.2975940131,-1.7060342838,0.0574073144,0.0574073144,GGA,P1,A2B24C39_aP65_1_2a_24a_39a:B-Bi-O,65.0,A2B24C39_aP65_1_2a_24a_39a:B-Bi-O +mp-1203744,B10Pb4O21,-7.6388248656,-2.3381114677,0.1004895523,0.1004895523,GGA,P2_1/c,A10B21C4_mP70_14_5e_a10e_2e:B-O-Pb,70.0,A10B21C4_mP70_14_5e_a10e_2e:B-O-Pb +mp-769060,Bi12BO20,-6.2908058252,-1.6938653538,0.0556637982,0.0556637982,GGA,I23,AB12C20_cI66_197_a_f_2cf:B-Bi-O,33.0,"Invalid WP multiplicities - AB12C20_cI66_197_a_f_6c5f:B-Bi-O, expected Bi12BO84 to be Bi12BO20" +mp-755446,Bi2(BO3)3,-7.2242035046,-2.0642497922,0.0970832583,0.0970832583,GGA,P6_3/m,A3B2C9_hP28_176_h_f_hi:B-Bi-O,28.0,"Invalid WP multiplicities - A3B2C9_hP28_176_h_f_5h4i:B-Bi-O, expected Bi2(BO13)3 to be Bi2(BO3)3" +mp-1192421,B2Pb2O5,-7.3461821859,-2.2886798262,0.0006048655,0.0006048655,GGA,P1,A2B5C2_aP27_1_6a_15a_6a:B-O-Pb,27.0,A2B5C2_aP27_1_6a_15a_6a:B-O-Pb +mp-31250,BiBO3,-7.373128569,-2.3011391621,0.0,-0.0045749632,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:B-Bi-O,20.0,ABC3_mP20_14_e_e_3e:B-Bi-O +mp-759766,Bi25BO39,-6.1627140777000005,-1.6148297737,0.0980453571,0.0980453571,GGA,P1,AB25C39_aP65_1_a_25a_39a:B-Bi-O,65.0,AB25C39_aP65_1_a_25a_39a:B-Bi-O +mp-19475,LaCo(BO2)5,-8.4700488831,-2.8872153027,0.0468306127,0.0468306127,GGA+U,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Co-La-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Co-La-O +mp-1025095,CeCo2B2C,-7.5909319467,-0.4680696501,0.0,-0.0206680476,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Co,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Co +mp-20753,CeCoC2,-8.1764219888,-0.301737505,0.0,-0.1272689161,GGA,Cc,A2BC_mC16_9_2a_a_a:C-Ce-Co,8.0,A2BC_mC16_9_2a_a_a:C-Ce-Co +mp-561266,Sr3V4CdO14,-7.7797478657,-2.7079007585,0.0006678089,0.0006678089,GGA+U,P4_12_12,AB14C3D4_tP88_92_a_7b_ab_2b:Cd-O-Sr-V,88.0,"Invalid WP multiplicities - AB14C3D4_tP88_92_a_51b_3a3b_11b:Cd-O-Sr-V, expected Sr9V22CdO102 to be Sr3V4CdO14" +mp-1111950,K2AgRhF6,-4.642030201,-2.2533766438,0.0,-0.0095921022,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Rh,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Rh +mp-1246389,CsCdN,-3.0766756983,0.3082533207,0.5096305162,0.5096305162,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-Cs-N,12.0,ABC_oP12_62_c_c_c:Cd-Cs-N +mp-6628,CsCd(NO2)3,-6.1767941536,-1.0397115014,0.0804713103,0.0804713103,GGA,R3,ABC3D6_hR33_146_a_a_b_2b:Cd-Cs-N-O,11.0,"Invalid WP multiplicities - ABC3D6_hR33_146_a_a_b_3b:Cd-Cs-N-O, expected CsCd(NO3)3 to be CsCd(NO2)3" +mp-22378,CsCd(NO2)3,-5.1767736127,-0.0396909605,1.0804918512,1.0804918512,GGA,Pm-3,ABC3D6_cP11_200_b_a_c_f:Cd-Cs-N-O,11.0,ABC3D6_cP11_200_b_a_c_f:Cd-Cs-N-O +mp-1111318,K3TlI6,-2.590495266,-1.1370914572,0.152345377,0.152345377,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Tl,10.0,A6B3C_cF40_225_e_ac_b:I-K-Tl +mp-1110822,KTlI3,-2.588186391,-1.0095581623,0.117895556,0.117895556,GGA,Fm-3m,A3BC_cF40_225_e_c_ab:I-K-Tl,10.0,A3BC_cF40_225_e_c_ab:I-K-Tl +mp-1111222,K2NaTlI6,-2.59140549,-1.1167890466,0.128480883,0.128480883,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Tl +mp-1209584,Rb2Th(NO3)6,-6.9401877872,-1.4426213892,0.0,-0.1103736007,GGA,P2_1/c,A6B18C2D_mP54_14_3e_9e_e_a:N-O-Rb-Th,54.0,A6B18C2D_mP54_14_3e_9e_e_a:N-O-Rb-Th +mp-1196142,Te2NO6,-5.3794003992,-0.4568182904,0.7692583978,0.7692583978,GGA,Pnma,AB6C2_oP36_62_c_2c2d_2c:N-O-Te,36.0,AB6C2_oP36_62_c_2c2d_2c:N-O-Te +mp-1203388,Te2NO7,-6.0346664492,-1.1096736802,0.0896086507,0.0896086507,GGA,Pnma,AB7C2_oP40_62_c_3c2d_d:N-O-Te,40.0,AB7C2_oP40_62_c_3c2d_d:N-O-Te +mp-1079569,Te(NO3)2,-5.9449019856,-0.4452988732,0.5113036579,0.5113036579,GGA,C2/m,A2B6C_mC18_12_i_ij_a:N-O-Te,9.0,A2B6C_mC18_12_i_ij_a:N-O-Te +mp-1102544,TeNO4,-5.9619792417,-0.7508866311,0.3404529785,0.3404529785,GGA,P-1,AB4C_aP12_2_i_4i_i:N-O-Te,12.0,AB4C_aP12_2_i_4i_i:N-O-Te +mp-1179065,TeNO4,-5.9683665825,-0.7572739719,0.3340656377,0.3340656377,GGA,P-1,AB4C_aP12_2_i_4i_i:N-O-Te,12.0,AB4C_aP12_2_i_4i_i:N-O-Te +mp-729825,TeSe(NO5)2,-5.3742053737,-0.1756986356,0.7652290201,0.7652290201,GGA,P2_1/c,A2B10CD_mP56_14_2e_10e_e_ad:N-O-Se-Te,56.0,A2B10CD_mP56_14_2e_10e_e_ad:N-O-Se-Te +mp-1203994,TeSe(NO5)2,-4.556720425,0.6417863131,1.5827139689,1.5827139689,GGA,P2_1/c,A2B10CD_mP56_14_2e_10e_e_ad:N-O-Se-Te,56.0,A2B10CD_mP56_14_2e_10e_e_ad:N-O-Se-Te +mp-1179247,Te2N2O7,-6.1564212352,-0.9212919066,0.1755610711,0.1755610711,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:N-O-Te,44.0,A2B7C2_mP44_14_2e_7e_2e:N-O-Te +mp-1112281,K2MnAgF6,-5.166930175,-2.5985058756,0.0142119848,0.0142119848,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Mn,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Mn +mp-626218,SbHO3,-6.06543491,-1.5930762262,0.0,-0.0104491557,GGA,Fdd2,AB3C_oF80_43_b_2a2b_b:H-O-Sb,20.0,"Invalid WP multiplicities - AB3C_oF80_43_b_4a4b_b:H-O-Sb, expected SbHO6 to be SbHO3" +mp-626182,SbHO3,-6.053281105,-1.5809224212,0.012153805,0.0017046493,GGA,I4_1/amd,AB3C_tI40_141_e_eg_c:H-O-Sb,20.0,"Invalid WP multiplicities - AB3C_tI40_141_e_2e2g_c:H-O-Sb, expected SbHO6 to be SbHO3" +mp-695995,ReSbH4O7,-6.6541281089,-1.6717239871,0.0015608698,0.0015608698,GGA,Pbca,A4B7CD_oP104_61_4c_7c_c_c:H-O-Re-Sb,104.0,A4B7CD_oP104_61_4c_7c_c_c:H-O-Re-Sb +mp-1201702,NdMoI4O15,-5.9375532067000005,-1.380048749,0.0386009116,0.0386009116,GGA+U,P2_1,A4BCD15_mP42_4_4a_a_a_15a:I-Mo-Nd-O,42.0,A4BCD15_mP42_4_4a_a_a_15a:I-Mo-Nd-O +mp-540742,NdTl(PO3)4,-7.6982947193,-2.8013911004,0.0,-0.0148428728,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Nd-O-P-Tl,72.0,AB12C4D_mP72_14_e_12e_4e_e:Nd-O-P-Tl +mp-1217243,U3Te5(PbO4)8,-7.0380349427,-2.088327134,0.0,-0.0008831849,GGA,P-1,A32B8C5D3_aP48_2_16i_4i_abci_gi:O-Pb-Te-U,48.0,"Invalid WP multiplicities - A32B8C5D3_aP48_2_32i_8i_abci_gi:O-Pb-Te-U, expected U3Te5(PbO4)16 to be U3Te5(PbO4)8" +mp-559937,UTe3Pb2O11,-6.9074822066,-2.0509999917,0.0014698568,0.0014698568,GGA,P2_1/c,A11B2C3D_mP68_14_11e_2e_3e_e:O-Pb-Te-U,68.0,"Invalid WP multiplicities - A11B2C3D_mP68_14_41e_5e_10e_e:O-Pb-Te-U, expected UTe10Pb5O41 to be UTe3Pb2O11" +mp-1191464,UTe(PbO4)2,-7.4050048462,-2.2855448685,0.0,-0.0211853646,GGA,P2_1/c,A8B2CD_mP24_14_4e_e_a_c:O-Pb-Te-U,24.0,A8B2CD_mP24_14_4e_e_a_c:O-Pb-Te-U +mp-555259,UTe2PbO8,-7.3293085748,-2.2572936951,0.0,-0.0136685769,GGA,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Pb-Te-U,48.0,"Invalid WP multiplicities - A8BC2D_mP48_14_31e_e_5e_e:O-Pb-Te-U, expected UTe5PbO31 to be UTe2PbO8" +mp-1211973,K2LuSbO7,-6.01028493,-1.8741421452,0.2664600108,0.2664600108,GGA,Imma,A2BC7D_oI44_74_ac_d_ehj_b:K-Lu-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_d_2e2hj_b:K-Lu-O-Sb, expected K2LuSbO10 to be K2LuSbO7" +mp-1198968,Be2P2PbO8,-7.5271466558,-2.7893322324,0.0,-0.087121026,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Be-O-P-Pb,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Be-O-P-Pb +mp-1183499,BePbO3,-5.851263928,-1.3928387143,0.628855202,0.628855202,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Pb,5.0,AB3C_cP5_221_b_c_a:Be-O-Pb +mp-1194520,Rb4Al2S5,-4.4166756475,-1.4988995307,0.0,-0.2481612305,GGA,Pna2_1,A2B4C5_oP44_33_2a_4a_5a:Al-Rb-S,44.0,A2B4C5_oP44_33_2a_4a_5a:Al-Rb-S +mp-795584,RbAl(SO10)2,-4.8773993553,-0.2135333611,0.9470626291,0.9470626291,GGA,Pa-3,AB20CD2_cP96_205_a_c3d_b_c:Al-O-Rb-S,96.0,AB20CD2_cP96_205_a_c3d_b_c:Al-O-Rb-S +mp-1209303,RbAl(SO4)2,-6.7022352575,-2.3211919803,0.0,-0.005615521,GGA,P321,AB8CD2_hP12_150_a_dg_b_d:Al-O-Rb-S,12.0,AB8CD2_hP12_150_a_dg_b_d:Al-O-Rb-S +mp-17335,ErAg(WO4)2,-8.4545253058,-2.3803548922,0.0048064694,0.0048064694,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Er-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Er-O-W +mp-1192384,DyWBrO4,-8.2380834846,-2.6802691639000003,0.0359444192,0.0359444192,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Dy-O-W,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Dy-O-W +mp-15520,TbZn(BO2)5,-8.1503673229,-2.9293111067,0.0114124718,0.0114124718,GGA,P2_1/c,A5B10CD_mP68_14_5e_10e_e_e:B-O-Tb-Zn,68.0,"Invalid WP multiplicities - A5B10CD_mP68_14_6e_15e_e_e:B-O-Tb-Zn, expected TbZn(B2O5)3 to be TbZn(BO2)5" +mp-1208009,UCd(MoO4)4,-8.3474217223,-2.2226981045,0.0,-0.0186605662,GGA+U,P2/c,AB4C16D_mP44_13_e_2g_ef7g_f:Cd-Mo-O-U,44.0,"Invalid WP multiplicities - AB4C16D_mP44_13_e_2g_ef14g_f:Cd-Mo-O-U, expected UCd(Mo2O15)2 to be UCd(MoO4)4" +mp-1197376,SrRe3S4O11,-6.5751566018,-0.7866065861,1.2311757041,1.2311757041,GGA,P-1,A11B3C4D_aP38_2_11i_3i_4i_i:O-Re-S-Sr,38.0,A11B3C4D_aP38_2_11i_3i_4i_i:O-Re-S-Sr +mp-1199935,Sr2Re6S11,-7.6423161492,-1.139837278,0.0067102679,0.0067102679,GGA,R-3c,A6B11C2_hR114_167_f_cef_c:Re-S-Sr,38.0,A6B11C2_hR114_167_f_cef_c:Re-S-Sr +mp-638100,CeTl2P2S7,-5.2247578773,-1.0214137498,0.0,-0.0028566717,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Ce-P-S-Tl,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_6e_24e_6e:Ce-P-S-Tl, expected CeTl6(PS4)6 to be CeTl2P2S7" +mp-1194799,CeTl(PS3)2,-5.4785399758,-1.0844363241,0.0,-0.0180201412,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ce-P-S-Tl,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ce-P-S-Tl +mp-1195336,CeTlP2S7,-5.4225471593,-1.051866579,0.0,-0.0241132476,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Ce-P-S-Tl,44.0,AB2C7D_mP44_14_e_2e_7e_e:Ce-P-S-Tl +mp-561261,CePS4,-6.0095298748,-1.3608313533,0.0,-0.0777199688,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Ce-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_a2b_e_22g:Ce-P-S, expected Ce3(PS44)2 to be CePS4" +mp-642871,CeBMoO6,-8.6836274219,-2.7793759438,0.0736241153,0.0736241153,GGA+U,P2_1/c,ABCD6_mP36_14_e_e_e_6e:B-Ce-Mo-O,36.0,"Invalid WP multiplicities - ABCD6_mP36_14_e_e_e_22e:B-Ce-Mo-O, expected CeBMoO22 to be CeBMoO6" +mp-1220275,Nd3Se2NO,-7.386849399,-2.4469281292,0.0221019431,0.0221019431,GGA,Cm,AB3CD2_mC42_8_3a_9a_3a_6a:N-Nd-O-Se,,AB3CD2_mC42_8_3a_9a_3a_6a:N-Nd-O-Se +mp-556120,RbTl(SO4)2,-6.1053372658,-1.8395383789,0.0,-0.0407610391,GGA,R32,A8BC2D_hR36_155_cf_a_c_b:O-Rb-S-Tl,12.0,A8BC2D_hR36_155_cf_a_c_b:O-Rb-S-Tl +mp-1209171,RbTlS2,-3.7857528006,-0.8817335624,0.0,-0.0104950747,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Rb-S-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:Rb-S-Tl +mp-1207412,Zr2S2O,-6.83668438,-0.773686439,1.6735788949,1.6735788949,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:O-S-Zr,5.0,AB2C2_tP5_123_a_g_g:O-S-Zr +mp-1196127,ZrS2O13,-5.8932297122,-0.8227576116,0.7958868443,0.7958868443,GGA,P-1,A13B2C_aP32_2_13i_2i_i:O-S-Zr,32.0,A13B2C_aP32_2_13i_2i_i:O-S-Zr +mp-1196339,ZrS2O13,-6.2158145722,-1.1453424716,0.4733019843,0.4733019843,GGA,P-1,A13B2C_aP32_2_13i_2i_i:O-S-Zr,32.0,A13B2C_aP32_2_13i_2i_i:O-S-Zr +mp-1197006,ZrSO6,-7.4857799306,-2.1902445851,0.1436122366,0.1436122366,GGA,Pnma,A6BC_oP32_62_2c2d_c_c:O-S-Zr,32.0,A6BC_oP32_62_2c2d_c_c:O-S-Zr +mp-4325,Zr(SO4)2,-7.4811292134,-2.3543919358,0.0,-0.166149699,GGA,Pnma,A8B2C_oP44_62_4c2d_2c_c:O-S-Zr,44.0,"Invalid WP multiplicities - A8B2C_oP44_62_4c3d_2c_c:O-S-Zr, expected Zr(SO5)2 to be Zr(SO4)2" +mp-1194417,Zr(SO6)2,-6.294898371,-1.2161740444,0.5103800418000001,0.5103800418000001,GGA,Fddd,A12B2C_oF120_70_3h_e_a:O-S-Zr,30.0,A12B2C_oF120_70_3h_e_a:O-S-Zr +mp-28620,Zr3SO9,-8.7747413454,-3.0593759486,0.1373663805,0.1373663805,GGA,P-3,A9BC3_hP26_147_c2d2g_d_g:O-S-Zr,26.0,"Invalid WP multiplicities - A9BC3_hP26_147_c2d3g_d_g:O-S-Zr, expected Zr3SO12 to be Zr3SO9" +mp-8231,ZrSO,-8.699117985,-2.8221715823,0.0256719392,0.0095316842,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-S-Zr,6.0,ABC_tP6_129_a_c_c:O-S-Zr +mp-3519,ZrSO,-8.7247899242,-2.8478435215,0.0,-0.016140255,GGA,P2_13,ABC_cP12_198_a_a_a:O-S-Zr,12.0,ABC_cP12_198_a_a_a:O-S-Zr +mp-1209748,Zr(SO3)2,-6.9683208031,-1.8015727329,0.5406502463,0.5406502463,GGA,Fddd,A6B2C_oF144_70_3h_h_c:O-S-Zr,36.0,A6B2C_oF144_70_3h_h_c:O-S-Zr +mp-1105847,ZrSO7,-6.6748773944,-1.418102786,0.6564366110000001,0.6564366110000001,GGA,C2/c,A7BC_mC36_15_e3f_e_e:O-S-Zr,18.0,A7BC_mC36_15_e3f_e_e:O-S-Zr +mp-1204554,Zr2(SO6)3,-6.6916656948,-1.5375288399,0.4002609804,0.4002609804,GGA,C2/c,A18B3C2_mC92_15_9f_ef_f:O-S-Zr,46.0,A18B3C2_mC92_15_9f_ef_f:O-S-Zr +mp-1203877,ZrSO9,-6.0161407573,-0.8157454029000001,0.8816050128,0.8816050128,GGA,P2_1/c,A9BC_mP44_14_9e_e_e:O-S-Zr,44.0,A9BC_mP44_14_9e_e_e:O-S-Zr +mp-1191549,ZrS2O9,-7.1066694821,-1.9949362517,0.1632563561,0.1632563561,GGA,P-1,A9B2C_aP24_2_9i_2i_i:O-S-Zr,24.0,A9B2C_aP24_2_9i_2i_i:O-S-Zr +mp-729172,ZrS2O9,-7.0978599817,-1.9861267513,0.1720658566,0.1720658566,GGA,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-S-Zr,48.0,A9B2C_mP48_14_9e_2e_e:O-S-Zr +mp-554265,ZrSCl6O,-4.9348005228,-1.7434606152,0.0001146697,-0.0066726394,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:Cl-O-S-Zr,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_20e_e_e_e:Cl-O-S-Zr, expected ZrSCl20O to be ZrSCl6O" +mp-1205421,ZrSCl6O,-4.9349151925,-1.7435752849,0.0,-0.0067873092,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:Cl-O-S-Zr,36.0,A6BCD_mP36_14_6e_e_e_e:Cl-O-S-Zr +mp-1215422,Zr2SO3,-8.867129105,-2.8551428949,0.4760118412,0.4760118412,GGA,P-4m2,A3BC2_tP6_115_abc_d_g:O-S-Zr,6.0,A3BC2_tP6_115_abc_d_g:O-S-Zr +mp-1196209,ZrS2O15,-6.0060839275,-0.9493655368,0.4894295351,0.4894295351,GGA,P-1,A15B2C_aP36_2_15i_2i_i:O-S-Zr,36.0,A15B2C_aP36_2_15i_2i_i:O-S-Zr +mp-1325965,Ge3(WO6)2,-7.8601843403,-2.0280897191,0.1034284093,0.1034284093,GGA+U,Ia-3d,A3B12C2_cI136_230_d_h_a:Ge-O-W,68.0,A3B12C2_cI136_230_d_h_a:Ge-O-W +mp-766380,Ge2(WO3)9,-8.8999960105,-2.0728954057,0.052209846,0.052209846,GGA+U,C2/m,A2B27C9_mC76_12_i_cfgi5j_aeij:Ge-O-W,38.0,"Invalid WP multiplicities - A2B27C9_mC76_12_i_c2e2gi17j_b2fi2j:Ge-O-W, expected Ge2W15O79 to be Ge2(WO3)9" +mp-694895,Ge(WO3)6,-8.9557359015,-2.09924766,0.0418678898,0.0418678898,GGA+U,Amm2,AB18C6_oC150_38_ac_3c3d3e9f_ab2cde2f:Ge-O-W,75.0,"Invalid WP multiplicities - AB18C6_oC150_38_ac_4c6d6e33f_ab2c2d2e6f:Ge-O-W, expected Ge3(W19O82)2 to be Ge(WO3)6" +mp-756008,GeWO4,-8.0939641008,-1.8659786125,0.1917392794,0.1917392794,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Ge-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_13_e_3g_f:Ge-O-W, expected GeWO6 to be GeWO4" +mp-772201,GeWO4,-8.1135896529,-1.8856041646,0.1721137274,0.1721137274,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Ge-O-W,48.0,"Invalid WP multiplicities - AB4C_mP48_14_5e_29e_5e:Ge-O-W, expected Ge5W5O29 to be GeWO4" +mp-770711,GeWO4,-8.1834129704,-1.9554274821,0.1022904099,0.1022904099,GGA+U,Pnna,AB4C_oP24_52_c_2e_d:Ge-O-W,24.0,"Invalid WP multiplicities - AB4C_oP24_52_c_5e_d:Ge-O-W, expected GeWO10 to be GeWO4" +mp-770643,GeWO4,-8.0957869079,-1.8678014196,0.1899164724,0.1899164724,GGA+U,P2_13,AB4C_cP24_198_a_ab_a:Ge-O-W,24.0,"Invalid WP multiplicities - AB4C_cP24_198_a_4a5b_a:Ge-O-W, expected GeWO19 to be GeWO4" +mp-1357036,Ge2WO6,-7.7732204217,-2.0082961764,0.0561561059,0.0561561059,GGA+U,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ge-O-W,36.0,A2B6C_mP36_14_2e_6e_e:Ge-O-W +mp-1043268,Ge2WO6,-7.7756793011,-2.0107550558,0.0536972265,0.0536972265,GGA+U,C2/c,A2B6C_mC36_15_f_3f_e:Ge-O-W,18.0,A2B6C_mC36_15_f_3f_e:Ge-O-W +mp-1364208,Mg3Ge3(WO6)2,-7.4200010566,-2.2226786211,0.1563707802,0.1563707802,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-W,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-W +mp-2218480,MgGe2(WO4)2,-7.7385475623,-1.8665394154,0.3032018688,0.3032018688,GGA+U,P2,A2BC8D2_mP13_3_ac_a_4e_bd:Ge-Mg-O-W,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_3_ac_a_8e_bd:Ge-Mg-O-W, expected MgGe2(WO8)2 to be MgGe2(WO4)2" +mp-2227383,MgGe2(WO4)2,-7.7369128138,-1.8649046669,0.3048366172,0.3048366172,GGA+U,P2,A2BC8D2_mP13_3_bd_a_4e_ac:Ge-Mg-O-W,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_3_bd_a_8e_ac:Ge-Mg-O-W, expected MgGe2(WO8)2 to be MgGe2(WO4)2" +mp-1043309,MgGe2WO6,-7.4361041962,-2.0876443705,0.1217648827,0.1217648827,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-W,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-W +mp-1043326,MgGe2WO6,-7.403631613,-2.0551717873,0.1542374659,0.1542374659,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-W,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-W +mp-752681,Eu6WO12,-10.1080747695,-3.0627902661,0.0,-0.0402869995,GGA+U,R-3,A6B12C_hR57_148_f_2f_a:Eu-O-W,19.0,"Invalid WP multiplicities - A6B12C_hR57_148_f_7f_a:Eu-O-W, expected Eu6WO42 to be Eu6WO12" +mp-1184457,Eu3W,-10.1831641625,0.749119745,0.749119745,0.749119745,GGA,I4/mmm,A3B_tI8_139_ad_b:Eu-W,4.0,A3B_tI8_139_ad_b:Eu-W +mp-1184504,Eu3W,-10.1478356425,0.7844482650000001,0.7844482650000001,0.7844482650000001,GGA,P6_3/mmc,A3B_hP8_194_h_c:Eu-W,8.0,A3B_hP8_194_h_c:Eu-W +mp-1184400,EuWO3,-10.02116339,-2.4101237573,0.1474619763,0.1474619763,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-W,5.0,AB3C_cP5_221_a_c_b:Eu-O-W +mp-1213585,Eu2WO6,-9.8586803814,-2.8417619261,0.0,-0.0370384569,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Eu-O-W,36.0,A2B6C_mC72_15_2ef_6f_f:Eu-O-W +mp-1226168,Eu2Mo2WO12,-9.135013135,-2.3983249829,0.0324611489,0.0324611489,GGA+U,C2/c,A2B2C12D_mC68_15_f_f_6f_e:Eu-Mo-O-W,34.0,A2B2C12D_mC68_15_f_f_6f_e:Eu-Mo-O-W +mp-1184406,Eu2W2O5,-10.0575419133,-2.1504632893,0.3480661007,0.3480661007,GGA+U,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Eu-O-W,9.0,A2B5C2_tP9_123_ab_ci_h:Eu-O-W +mp-754296,Eu3WO6,-10.175710504,-2.8347837142000003,0.0748670385,0.0748670385,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Eu-O-W,10.0,"Invalid WP multiplicities - A3B6C_cF40_225_a2c_e_b:Eu-O-W, expected Eu5WO6 to be Eu3WO6" +mp-540684,Eu2(WO4)3,-9.4621040803,-2.4768888553,0.0590156124,0.0590156124,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Eu-O-W,34.0,A2B12C3_mC68_15_f_6f_ef:Eu-O-W +mp-1212926,EuWO2,-9.9697796225,-1.6926522594,0.7320567012,0.7320567012,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Eu-O-W,16.0,AB2C_tI32_141_c_h_d:Eu-O-W +mp-1225913,Eu2Mo(WO6)2,-9.3146018124,-2.4536501238,0.0304731819,0.0304731819,GGA+U,C2/c,A2BC12D2_mC68_15_f_e_6f_f:Eu-Mo-O-W,34.0,A2BC12D2_mC68_15_f_e_6f_f:Eu-Mo-O-W +mp-1212796,EuWO5,-9.1753103136,-2.3255138012,0.1275659589,0.1275659589,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Eu-O-W,28.0,AB5C_mP28_14_e_5e_e:Eu-O-W +mp-1223102,Li7C120,-8.4969675032,0.3282476083,0.3315138642,0.3315138642,GGA,Pm,A120B7_mP127_6_4a4b56c_3a4b:C-Li,127.0,"Invalid WP multiplicities - A120B7_mP127_6_4a4b112c_3a4b:C-Li, expected Li7C232 to be Li7C120" +mp-570512,LiWCl6,-4.7814078491,-1.536623717,0.0133536344,0.0133536344,GGA,R3,A6BC_hR96_146_8b_ab_ab:Cl-Li-W,32.0,"Invalid WP multiplicities - A6BC_hR96_146_22b_ab_a2b:Cl-Li-W, expected Li4W7Cl66 to be LiWCl6" +mp-1232339,LiC12,-8.6671489481,-0.0015405806,0.0030178204,-0.00055696,GGA,Cmcm,A12B_oC52_63_2f2h_c:C-Li,26.0,"Invalid WP multiplicities - A12B_oC52_63_4f8h_c:C-Li, expected LiC40 to be LiC12" +mp-1021323,LiC12,-8.6701667685,-0.004558401,0.0,-0.0035747804,GGA,P6/mmm,A12B_hP13_191_n_a:C-Li,13.0,A12B_hP13_191_n_a:C-Li +mp-976060,Li3C,-3.263699415,0.4751591081,0.4763936751,0.4763936751,GGA,Fm-3m,AB3_cF16_225_a_bc:C-Li,4.0,AB3_cF16_225_a_bc:C-Li +mp-1001581,LiC6,-8.1848146986,-0.001826724,0.0024060769,0.0024060769,GGA,P6/mmm,A6B_hP7_191_j_b:C-Li,7.0,A6B_hP7_191_j_b:C-Li +mp-571612,LiW6CCl18,-5.9900545215,-1.2915918439,0.0124685576,0.0124685576,GGA,P6_3/m,AB18CD6_hP52_176_c_2h2i_b_i:C-Cl-Li-W,52.0,"Invalid WP multiplicities - AB18CD6_hP52_176_c_11h16i_b_i:C-Cl-Li-W, expected LiW6CCl129 to be LiW6CCl18" +mp-1378,LiC,-5.555446985,0.0133471946,0.0158163285,0.0158163285,GGA,Immm,AB_oI8_71_e_g:C-Li,4.0,AB_oI8_71_e_g:C-Li +mp-1210743,Li2C,-3.4360656,0.9127714753,0.9144175645,0.9144175645,GGA,Fm-3m,AB2_cF12_225_a_c:C-Li,3.0,AB2_cF12_225_a_c:C-Li +mp-1200414,Sr(BH)12,-5.3399032802,-0.4377069905,0.0,-0.1804398861,GGA,P31c,A12B12C_hP50_159_4c_4c_b:B-H-Sr,50.0,A12B12C_hP50_159_4c_4c_b:B-H-Sr +mp-1195599,CsSr(BH4)3,-4.2343495441,-0.5087152101,0.0,-0.1241065458,GGA,P2_12_12,A3BC12D_oP34_18_ac_b_6c_a:B-Cs-H-Sr,34.0,A3BC12D_oP34_18_ac_b_6c_a:B-Cs-H-Sr +mp-1213987,CaCdP2O7,-7.1859620659,-2.7876060994,0.0,-0.0046189548,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cd-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cd-O-P +mp-9570,Ca(CdP)2,-3.498724354,-0.5631274713000001,0.0,-0.0762354025,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Cd-P,5.0,AB2C2_hP5_164_a_d_d:Ca-Cd-P +mp-1227791,Ca3Cd5(P2O7)4,-7.048832813,-2.6750838946,0.0027394319,0.0027394319,GGA,P1,A3B5C28D8_aP44_1_3a_5a_28a_8a:Ca-Cd-O-P,44.0,A3B5C28D8_aP44_1_3a_5a_28a_8a:Ca-Cd-O-P +mp-1078908,Ca2CdP2,-4.052944775,-0.9008058683,0.0,-0.028423661,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Ca-Cd-P,10.0,A2BC2_oC20_36_2a_a_2a:Ca-Cd-P +mp-1219784,Rb2Ti(WO4)3,-8.4986665478,-2.4935990263,0.0,-0.0310536091,GGA+U,C2,A12B2CD3_mC36_5_6c_c_a_bc:O-Rb-Ti-W,18.0,"Invalid WP multiplicities - A12B2CD3_mC36_5_12c_c_a_bc:O-Rb-Ti-W, expected Rb2Ti(WO8)3 to be Rb2Ti(WO4)3" +mp-1208886,SmAl3(BO3)4,-8.344636491,-3.2429792288,0.0073325623,0.0073325623,GGA,C2/c,A3B4C12D_mC80_15_ef_2f_6f_e:Al-B-O-Sm,40.0,A3B4C12D_mC80_15_ef_2f_6f_e:Al-B-O-Sm +mp-1208860,SmAl3(BO3)4,-8.3445120725,-3.2428548103,0.0074569808,0.0074569808,GGA,R32,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Sm,20.0,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Sm +mp-1103920,SiHg2(O2F3)2,-4.5929978623,-1.7246665231,0.1102291953,0.1102291953,GGA,P-1,A6B2C4D_aP13_2_3i_be_2i_a:F-Hg-O-Si,13.0,A6B2C4D_aP13_2_3i_be_2i_a:F-Hg-O-Si +mp-1179495,SiHg2(O2F3)2,-4.57687474,-1.7085434008,0.1263523176,0.1263523176,GGA,P-1,A6B2C4D_aP13_2_3i_be_2i_a:F-Hg-O-Si,13.0,A6B2C4D_aP13_2_3i_be_2i_a:F-Hg-O-Si +mp-732203,SiHg2(OF3)2,-4.4920341950000005,-2.0015860143,0.1669271074,0.1669271074,GGA,P2_1/c,A6B2C2D_mP22_14_3e_e_e_a:F-Hg-O-Si,22.0,A6B2C2D_mP22_14_3e_e_e_a:F-Hg-O-Si +mp-1219433,Si16O32F,-8.2317556201,-3.1907228404,0.0492283895,0.0492283895,GGA,P2_1,AB32C16_mP98_4_a_32a_16a:F-O-Si,98.0,AB32C16_mP98_4_a_32a_16a:F-O-Si +mp-779704,Si(HgO2)2,-5.4253568107,-1.7368662957,0.0286842943,0.0286842943,GGA,Fddd,A2B4C_oF56_70_e_h_a:Hg-O-Si,14.0,A2B4C_oF56_70_e_h_a:Hg-O-Si +mp-28712,Si2Hg6O7,-4.7359762513,-1.5826736361,0.0,-0.0199850142,GGA,C2/m,A6B7C2_mC30_12_ij_aij_i:Hg-O-Si,15.0,A6B7C2_mC30_12_ij_aij_i:Hg-O-Si +mp-1016874,SiHgO3,-5.83582336,-1.7220104543,0.4942845855,0.4942845855,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Si,5.0,AB3C_cP5_221_a_c_b:Hg-O-Si +mp-758949,Li2VGa3O8,-6.6925278071,-2.2954171242,0.0727287174,0.0727287174,GGA+U,P1,A3B2C8D_aP14_1_3a_2a_8a_a:Ga-Li-O-V,14.0,A3B2C8D_aP14_1_3a_2a_8a_a:Ga-Li-O-V +mp-755571,Li2VGa3O8,-6.6932860914,-2.2961754085,0.0719704331,0.0719704331,GGA+U,P1,A3B2C8D_aP14_1_3a_2a_8a_a:Ga-Li-O-V,14.0,A3B2C8D_aP14_1_3a_2a_8a_a:Ga-Li-O-V +mp-774850,Li16V3Ga13O32,-6.3617692567,-2.3703040828,0.0307517658,0.0307517658,GGA+U,P1,A13B16C32D3_aP64_1_13a_16a_32a_3a:Ga-Li-O-V,64.0,A13B16C32D3_aP64_1_13a_16a_32a_3a:Ga-Li-O-V +mp-771646,Li4VGa3O8,-6.4543789959,-2.3682917901,0.0399457002,0.0399457002,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Ga-Li-O-V,32.0,A3B4C8D_aP16_1_3a_4a_8a_a:Ga-Li-O-V +mp-1277622,LiVGaO4,-7.2066635371,-2.3769949937,0.0504270992,0.0504270992,GGA+U,P-1,ABC4D_aP28_2_bcef_2i_8i_ahi:Ga-Li-O-V,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ga-Li-O-V +mp-1314006,LiVGaO4,-7.2049661107,-2.3752975673,0.0521245257,0.0521245257,GGA+U,C2/m,ABC4D_mC28_12_e_i_2ij_ac:Ga-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_e_i_3ij_ad:Ga-Li-O-V, expected LiVGaO5 to be LiVGaO4" +mp-1282761,LiVGaO4,-7.2068555204,-2.3771869769,0.050235116,0.050235116,GGA+U,C2/c,ABC4D_mC28_15_c_e_2f_a:Ga-Li-O-V,28.0,ABC4D_mC28_15_a_e_2f_c:Ga-Li-O-V +mp-770840,LiVGaO4,-7.2125842821,-2.3829157387,0.0445063542,0.0445063542,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Ga-Li-O-V,28.0,ABC4D_mC28_15_a_e_2f_c:Ga-Li-O-V +mp-755369,Li2VGaO4,-6.8586105187,-2.3940351849,0.0429288716,0.0429288716,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Ga-Li-O-V,48.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_3i_6i_2c2i:Ga-Li-O-V, expected Li2V2GaO4 to be Li2VGaO4" +mp-1211031,LuBeNF6,-5.8638606006,-2.7454459211,0.418065741,0.418065741,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Lu-N,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Lu-N +mp-554108,LiRe(OF2)2,-6.6018172981,-2.6152243801,0.0,-0.0229151742,GGA,P-42_1m,A4BC2D_tP16_113_2e_c_e_c:F-Li-O-Re,16.0,"Invalid WP multiplicities - A4BC2D_tP16_113_3e_c_e_c:F-Li-O-Re, expected LiRe(OF3)2 to be LiRe(OF2)2" +mp-3933,Mg2PN3,-6.7203064092,-1.1164151789,0.0,-0.3862915174,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-P,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-P +mp-1246289,Mg3Bi3N5,-5.3880502773,-0.1148882623,0.2921666653,0.2921666653,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Bi-Mg-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Bi-Mg-N +mp-989522,Mg6Bi2PN,-3.604673167,-0.5014275678,0.0,-0.0025761361,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Bi-Mg-N-P,10.0,A2B6CD_cF40_225_c_e_a_b:Bi-Mg-N-P +mp-1245952,Mg3(BiN2)2,-5.3069631306,-0.2149855628,0.2825260154,0.2825260154,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Bi-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:Bi-Mg-N +mp-1245781,Mg2BiN3,-5.60204849,-0.2602928225,0.2372187557,0.2372187557,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Bi-Mg-N,12.0,AB2C3_oC24_36_a_b_ab:Bi-Mg-N +mp-1110848,K2AgSbF6,-4.554451337,-2.4893284428,0.1364717736,0.1364717736,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Sb +mp-1104786,Ca6Cr2HN6,-6.7336193067,-1.0835266523,0.0,-0.0357171152,GGA,R-3,A6B2CD6_hR45_148_f_c_a_f:Ca-Cr-H-N,15.0,A6B2CD6_hR45_148_f_c_a_f:Ca-Cr-H-N +mp-8670,Ca3CrN3,-6.8887299429,-1.0773968164,0.0,-0.0664201489,GGA,Cmcm,A3BC3_oC28_63_cg_c_cg:Ca-Cr-N,14.0,"Invalid WP multiplicities - A3BC3_oC28_63_2c3g_c_c2g:Ca-Cr-N, expected Ca8CrN5 to be Ca3CrN3" +mp-530696,Ca8H3N4,-4.8321105784,-0.8608467867,0.0522202579,0.0522202579,GGA,P-1,A8B3C4_aP75_2_20i_abg6i_cdef8i:Ca-H-N,75.0,"Invalid WP multiplicities - A8B3C4_aP75_2_40i_abg12i_cdef16i:Ca-H-N, expected Ca80(H3N4)9 to be Ca8H3N4" +mp-1002252,Ca8H3N4,-4.2910558837,-0.3197920921,0.5932749526000001,0.5932749526000001,GGA,P-1,A8B3C4_aP75_2_20i_abg6i_cdef8i:Ca-H-N,75.0,"Invalid WP multiplicities - A8B3C4_aP75_2_40i_abg12i_cdef16i:Ca-H-N, expected Ca80(H3N4)9 to be Ca8H3N4" +mp-1366160,Ca8H3N4,-4.6875085917,-0.7162448001,0.1968222446,0.1968222446,GGA,P-1,A8B3C4_aP75_2_20i_beg6i_acdf8i:Ca-H-N,75.0,"Invalid WP multiplicities - A8B3C4_aP75_2_40i_beg12i_acdf16i:Ca-H-N, expected Ca80(H3N4)9 to be Ca8H3N4" +mp-1246562,Ca(CrN2)2,-8.5060995974,-0.6978603802000001,0.0986571072,0.0986571072,GGA,Pa-3,AB2C4_cP84_205_ac_d_2d:Ca-Cr-N,84.0,AB2C4_cP84_205_ac_d_2d:Ca-Cr-N +mp-1420270,Ca(CrN)2,-7.848110038,-0.251173104,0.5793516132000001,0.5793516132000001,GGA,P-4m2,AB2C2_tP5_115_a_f_g:Ca-Cr-N,5.0,AB2C2_tP5_115_a_f_g:Ca-Cr-N +mp-675153,Ca16HN8,-4.940730723,-0.853759382,0.0295879616,0.0295879616,GGA,Pmn2_1,A16BC8_oP50_31_8a4b_a_4a2b:Ca-H-N,50.0,"Invalid WP multiplicities - A16BC8_oP50_31_16a15b_a_8a8b:Ca-H-N, expected Ca46HN24 to be Ca16HN8" +mp-1246029,Ca3(CrN2)2,-7.4116147606,-0.8928509517000001,0.1405737533,0.1405737533,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Cr-N,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-Cr-N +mp-1246042,Ca3(CrN2)2,-7.507100295,-0.9883364861,0.0450882189,0.0450882189,GGA,Pnna,A3B2C4_oP36_52_ce_cd_2e:Ca-Cr-N,36.0,A3B2C4_oP36_52_ce_cd_2e:Ca-Cr-N +mp-1245472,CaCrN2,-8.0015622142,-0.9186529142,0.1025933202,0.1025933202,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ca-Cr-N,64.0,ABC2_oP64_61_2c_2c_4c:Ca-Cr-N +mp-1245524,CaCrN2,-8.0350810788,-0.9521717787,0.0690744556,0.0690744556,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ca-Cr-N,8.0,ABC2_tP8_129_c_c_ac:Ca-Cr-N +mp-1246110,Ca4CrN4,-6.6885509839,-1.0195035739,0.0358101218,0.0358101218,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Ca-Cr-N,18.0,A4BC4_aP18_2_4i_i_4i:Ca-Cr-N +mp-1246207,Ca4CrN4,-6.7174676578,-1.0484202478,0.0068934479,0.0068934479,GGA,Pnma,A4BC4_oP36_62_4c_c_4c:Ca-Cr-N,36.0,A4BC4_oP36_62_4c_c_4c:Ca-Cr-N +mp-1394190,Ca2CrN3,-7.113655285,-0.6680332842000001,0.4631161225,0.2986446395,GGA,Amm2,A2BC3_oC24_38_abd_ab_abde:Ca-Cr-N,12.0,"Invalid WP multiplicities - A2BC3_oC24_38_ab2d_ab_ab2de:Ca-Cr-N, expected Ca3CrN4 to be Ca2CrN3" +mp-1029550,Ca2CrN3,-7.5767714075,-1.1311494067,0.0,-0.164471483,GGA,Cmce,A2BC3_oC48_64_2f_f_e2f:Ca-Cr-N,24.0,A2BC3_oC48_64_2f_f_e2f:Ca-Cr-N +mp-24119,Ca2HN,-4.8574596337,-0.9223544512,0.0,-0.0774958367,GGA,Fd-3m,A2BC_cF64_227_e_c_d:Ca-H-N,16.0,A2BC_cF64_227_e_c_d:Ca-H-N +mp-1391320,Ca2CrN2,-6.987416702,-0.919969286,0.085601076,0.085601076,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Ca-Cr-N,10.0,A2BC2_mC20_12_2i_i_2i:Ca-Cr-N +mp-1245851,Ca7CrN6,-6.2569048821,-0.9918180121,0.0199531042,0.0199531042,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Ca-Cr-N,56.0,A7BC6_oP56_60_c3d_c_3d:Ca-Cr-N +mp-644307,Ca(H2N)2,-5.3093771314,-0.7023065729,0.0,-0.0939957479,GGA,P2_1/c,AB4C2_mP28_14_e_4e_2e:Ca-H-N,28.0,AB4C2_mP28_14_e_4e_2e:Ca-H-N +mp-1247457,Ca3Cr3N5,-7.9039142123,-0.9349672418,0.0595345787,0.0595345787,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Ca-Cr-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Ca-Cr-N +mp-34932,CaHN,-5.43409028,-0.8558166633000001,0.0,-0.0490110778,GGA,I4mm,ABC_tI6_107_a_a_a:Ca-H-N,3.0,ABC_tI6_107_a_a_a:Ca-H-N +mp-1399796,Ca3(CrN3)2,-7.2194137155,-0.37015334,0.6279780615,0.6279780615,GGA,Pm,A3B2C6_mP11_6_2ab_ab_3a3b:Ca-Cr-N,11.0,A3B2C6_mP11_6_2ab_ab_3a3b:Ca-Cr-N +mp-1245375,Ca11(CrN5)2,-6.0978466713,-0.6746882857000001,0.3541212313,0.3541212313,GGA,P4_2/mnm,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Cr-N,46.0,A11B2C10_tP46_136_ag2i_f_3fi:Ca-Cr-N +mp-1405450,Ca5(CrN3)2,-7.1002601677,-0.99617833,0.1060273742,0.1060273742,GGA,Pm,A5B2C6_mP13_6_2a3b_ab_3a3b:Ca-Cr-N,13.0,A5B2C6_mP13_6_2a3b_ab_3a3b:Ca-Cr-N +mp-1216342,Y4CdMo3O16,-8.593722987,-2.8240253235,0.0164368493,0.0164368493,GGA+U,Pn-3,AB3C16D4_cP96_201_b_g_2e2h_cf:Cd-Mo-O-Y,96.0,"Invalid WP multiplicities - AB3C16D4_cP96_201_b_g_4e12h_cf:Cd-Mo-O-Y, expected Y4CdMo3O80 to be Y4CdMo3O16" +mp-1209002,Sr2P3Pb3O13,-7.1783952252,-2.6515481356,0.0170517775,0.0170517775,GGA,P6_3/m,A13B3C3D2_hP42_176_a2hi_h_h_f:O-P-Pb-Sr,42.0,A13B3C3D2_hP42_176_a2hi_h_h_f:O-P-Pb-Sr +mp-728095,ErCrHO5,-7.6835825605,-2.3902155753,0.0,-0.0609275621,GGA+U,P2_1/c,ABCD5_mP64_14_2e_2e_2e_10e:Cr-Er-H-O,64.0,ABCD5_mP64_14_2e_2e_2e_10e:Cr-Er-H-O +mp-24645,Er(HO)3,-6.4760409007,-2.2494747466,0.0297003768,0.0297003768,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Er-H-O,14.0,AB3C3_hP14_176_c_h_h:Er-H-O +mp-504801,ErHO2,-7.49047152,-3.0270159506,0.0,-0.0100847722,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Er-H-O,8.0,ABC2_mP8_11_e_e_2e:Er-H-O +mp-1197213,PuTeSO7,-7.8704656648,-2.2530241579,0.0,-0.0145360263,GGA,P2_1/c,A7BCD_mP40_14_7e_e_e_e:O-Pu-S-Te,40.0,A7BCD_mP40_14_7e_e_e_e:O-Pu-S-Te +mp-4906,Te2SO7,-6.148098104,-1.6431098408,0.0,-0.0511404514,GGA,Pmn2_1,A7BC2_oP20_31_3a2b_a_b:O-S-Te,20.0,A7BC2_oP20_31_3a2b_a_b:O-S-Te +mp-557480,Te2SO7,-6.1341338205,-1.6291455573,0.0139642835,-0.0371761679,GGA,Pmn2_1,A7BC2_oP20_31_3a2b_a_b:O-S-Te,20.0,"Invalid WP multiplicities - A7BC2_oP20_31_6a7b_a_b:O-S-Te, expected Te2SO20 to be Te2SO7" +mp-752443,Te(S2O7)2,-6.2860564403,-1.604859213,0.0033176422,-0.0062307137,GGA,P1,A14B4C_aP38_1_28a_8a_2a:O-S-Te,38.0,A14B4C_aP38_1_28a_8a_2a:O-S-Te +mp-1195607,Te(S2O7)2,-6.2893740825,-1.6081768552,0.0,-0.0095483559,GGA,P2_1/c,A14B4C_mP76_14_14e_4e_e:O-S-Te,76.0,A14B4C_mP76_14_14e_4e_e:O-S-Te +mp-21421,Pu2SO2,-11.637773326,-3.1246725361,0.0,-0.119829768,GGA,P-3m1,A2B2C_hP5_164_d_d_a:O-Pu-S,5.0,A2B2C_hP5_164_d_d_a:O-Pu-S +mp-1194032,Pu(SO6)2,-7.0166253427,-1.5565585028,0.0153819446,0.0153819446,GGA,Fddd,A12BC2_oF120_70_3h_a_e:O-Pu-S,30.0,A12BC2_oF120_70_3h_a_e:O-Pu-S +mp-1195479,TeSO5,-6.2066058107,-1.6332916226,0.0,-0.0037272253,GGA,P-1,A5BC_aP56_2_20i_4i_4i:O-S-Te,56.0,A5BC_aP56_2_20i_4i_4i:O-S-Te +mp-1023319,CaYMg6,-2.321532855,-0.0623139433,0.0259650862,0.0259650862,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:Ca-Mg-Y +mp-1023366,CaYMg6,-2.3108840987,-0.0516651871,0.0366138424,0.0366138424,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ca-Mg-Y,8.0,AB6C_tP8_123_a_fk_c:Ca-Mg-Y +mp-1038002,CaYMg30O32,-6.3715755677,-3.0157238293,0.0583754253,0.0583754253,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Y, expected CaYMg110O72 to be CaYMg30O32" +mp-1037996,CaYMg30O32,-6.3695269773,-3.013675239,0.0604240156,0.0604240156,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Y, expected CaYMg90O80 to be CaYMg30O32" +mp-1036396,CaYMg14O16,-6.4107888441,-2.972569748,0.1215884618,0.1215884618,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Y, expected CaYMg18O20 to be CaYMg14O16" +mp-1036378,CaYMg14O16,-6.4150764191,-2.976857323,0.1173008868,0.1173008868,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Y, expected CaYMg30O32 to be CaYMg14O16" +mp-1028166,CaYMg14,-1.9165080619,0.013241419,0.0697050809,0.0697050809,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Y, expected CaYMg18 to be CaYMg14" +mp-1028156,CaYMg14,-1.9267851144,0.0029643665,0.0594280284,0.0594280284,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Y, expected CaYMg26 to be CaYMg14" +mp-1032908,CaYMg6O8,-6.549286105,-2.9463322935000003,0.1879438266,0.1879438266,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Y, expected CaYMg6O12 to be CaYMg6O8" +mp-1032918,CaYMg6O8,-6.5136858938,-2.9107320823,0.2235440379,0.2235440379,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Y, expected CaYMg6O12 to be CaYMg6O8" +mp-1096179,CaYMg2,-1.0743098775,1.8438478958,1.9390400106,1.9390400106,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Mg-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Mg-Y +mp-1193473,KZn4SbO7,-5.3336105142,-1.8793646984,0.0131511169,0.0131511169,GGA,P6_3mc,AB7CD4_hP26_186_b_a2c_b_ac:K-O-Sb-Zn,26.0,AB7CD4_hP26_186_b_a2c_b_ac:K-O-Sb-Zn +mp-863678,KZn4(SbO4)3,-5.816968136,-1.9221360539,0.0,-0.022649034,GGA,R3,AB12C3D4_hR60_146_a_4b_b_ab:K-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB12C3D4_hR60_146_a_6b_b_ab:K-O-Sb-Zn, expected KZn4(SbO6)3 to be KZn4(SbO4)3" +mp-10161,KZnSb,-2.6207786367,-0.454397371,0.0098395167,-0.099832348,GGA,P-6m2,ABC_hP3_187_b_c_e:K-Sb-Zn,3.0,ABC_hP3_187_b_c_e:K-Sb-Zn +mp-7438,KZnSb,-2.6306181533,-0.4642368877,0.0,-0.1096718647,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:K-Sb-Zn,6.0,ABC_hP6_194_a_c_d:K-Sb-Zn +mp-554076,BaLiBS3,-5.3533352837,-1.5338954207,0.0,-0.0083692153,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Ba-Li-S,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_9e:B-Ba-Li-S, expected BaLiBS9 to be BaLiBS3" +mp-557892,BaLi(BS2)3,-5.6247563845,-1.1988679918,0.0,-0.0036255159,GGA,Cc,A3BCD6_mC44_9_3a_a_a_6a:B-Ba-Li-S,22.0,"Invalid WP multiplicities - A3BCD6_mC44_9_3a_a_a_11a:B-Ba-Li-S, expected BaLiB3S11 to be BaLi(BS2)3" +mp-28782,Na3PS4,-4.3686194913,-1.1277847594,0.0,-0.0381253553,GGA,P-42_1c,A3BC4_tP16_114_ad_b_e:Na-P-S,16.0,A3BC4_tP16_114_ad_b_e:Na-P-S +mp-985584,Na3PS4,-4.3628405612,-1.1220058294,0.00577893,-0.0323464253,GGA,I-43m,A3BC4_cI16_217_b_a_c:Na-P-S,8.0,A3BC4_cI16_217_b_a_c:Na-P-S +mp-1101885,Na2PS3,-4.5047022175,-1.0934184351,0.0,-0.0447521252,GGA,C2/m,A2BC3_mC24_12_gh_i_ij:Na-P-S,12.0,A2BC3_mC24_12_gh_i_ij:Na-P-S +mp-1189520,NaPS3,-4.6998153905,-0.8707799104,0.0,-0.0086484785,GGA,P2_1/m,ABC3_mP20_11_f_2e_4ef:Na-P-S,20.0,ABC3_mP20_11_f_2e_4ef:Na-P-S +mp-561303,NaSb(PS3)2,-4.83018738,-0.7205043052,0.0077646041,0.0077646041,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:Na-P-S-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_4_a_3a_11a_a:Na-P-S-Sb, expected NaSbP3S11 to be NaSb(PS3)2" +mp-554384,NaSb(PS3)2,-4.8372924158,-0.7276093409000001,0.0006595683,0.0006595683,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Na-P-S-Sb,40.0,"Invalid WP multiplicities - AB2C6D_mP40_14_e_5e_20e_e:Na-P-S-Sb, expected NaSb(PS4)5 to be NaSb(PS3)2" +mp-1246444,Ir2(CN2)3,-8.3132931,0.3577827534,0.3577827534,0.3577827534,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:C-Ir-N,11.0,A3B2C6_mC22_12_ai_i_3i:C-Ir-N +mp-1106080,Ba3Ir(CN)3,-7.452346738,-0.7232627127,0.0,-0.1235174717,GGA,P6_3/m,A3B3CD3_hP20_176_h_h_c_h:Ba-C-Ir-N,20.0,A3B3CD3_hP20_176_h_h_c_h:Ba-C-Ir-N +mp-1246784,Ir(C2N3)3,-8.3150831222,0.3873469691,0.3873469691,0.3873469691,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Ir-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Ir-N +mp-1225854,CsTaWO6,-8.9216219822,-2.7670172600000003,0.0,-0.0826096168,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-Ta-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-Ta-W, expected CsTaWO12 to be CsTaWO6" +mp-3889,NaBO2,-7.0870815275,-2.6132579058000003,0.0,-0.0252001481,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Na-O,24.0,ABC2_hR72_167_e_e_2e:B-Na-O +mp-640740,Na12B26O45,-7.7121291996,-2.7466414699,0.0094063554,0.0094063554,GGA,P1,A26B12C45_aP166_1_52a_24a_90a:B-Na-O,166.0,"Invalid WP multiplicities - A26B12C45_oI332_45_46c_23c_2a84c:B-Na-O, expected Na23B46O85 to be Na12B26O45" +mp-657344,Na12B26O45,-7.7120508884,-2.7465631587,0.0094846666,0.0094846666,GGA,Cc,A26B12C45_mC332_9_26a_12a_45a:B-Na-O,166.0,"Invalid WP multiplicities - A26B12C45_oI332_45_46c_23c_2a84c:B-Na-O, expected Na23B46O85 to be Na12B26O45" +mp-1180710,Na12B26O45,-7.7124969714,-2.7470092416,0.0090385837,0.0090385837,GGA,Iba2,A26B12C45_oI332_45_13c_6c_a22c:B-Na-O,166.0,"Invalid WP multiplicities - A26B12C45_oI332_45_46c_23c_2a84c:B-Na-O, expected Na23B46O85 to be Na12B26O45" +mp-1180492,Na2B5O11,-7.1329063183,-2.1075960258,0.2797403526,0.2797403526,GGA,Pc,A5B2C11_mP72_7_10a_4a_22a:B-Na-O,72.0,A5B2C11_mP72_7_10a_4a_22a:B-Na-O +mp-27564,Na4B2O5,-6.3469497977,-2.403101773,0.0,-0.0098028595,GGA,C2/c,A2B4C5_mC44_15_f_2f_e2f:B-Na-O,22.0,"Invalid WP multiplicities - A2B4C5_mC44_15_f_2f_e3f:B-Na-O, expected Na4B2O7 to be Na4B2O5" +mp-31073,Na3B7O12,-7.7700303427,-2.766231124,0.0,-0.0041269616,GGA,P-1,A7B3C12_aP44_2_7i_3i_12i:B-Na-O,44.0,"Invalid WP multiplicities - A7B3C12_aP44_2_7i_3i_15i:B-Na-O, expected Na3B7O15 to be Na3B7O12" +mp-1181167,Na2B4O11,-6.4114060429,-1.4833946609,0.6153857321,0.6153857321,GGA,P2/c,A4B2C11_mP68_13_4g_efg_ac10g:B-Na-O,68.0,A4B2C11_mP68_13_4g_efg_ac10g:B-Na-O +mp-1180411,Na2B4O11,-6.4903749756,-1.5623635936,0.5364167994,0.5364167994,GGA,P2_1/c,A4B2C11_mP68_14_4e_2e_11e:B-Na-O,68.0,A4B2C11_mP68_14_4e_2e_11e:B-Na-O +mp-1197879,Na2B4O11,-6.6631252899,-1.7351139079,0.3636664851,0.3636664851,GGA,P2_1/c,A4B2C11_mP68_14_4e_2e_11e:B-Na-O,68.0,A4B2C11_mP68_14_4e_2e_11e:B-Na-O +mp-1180443,NaBO7,-5.3662612517,-0.6297348024,0.5317131557,0.5317131557,GGA,P-1,ABC7_aP18_2_i_be_7i:B-Na-O,18.0,ABC7_aP18_2_i_be_7i:B-Na-O +mp-1189672,NaBO7,-5.6511629344,-0.9146364852,0.2468114729,0.2468114729,GGA,P-1,ABC7_aP18_2_i_ab_7i:B-Na-O,18.0,ABC7_aP18_2_i_ab_7i:B-Na-O +mp-30975,Na3BO3,-5.9086128871,-2.2676080607,0.0,-0.0711081446,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:B-Na-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_3e_5e:B-Na-O, expected Na3BO5 to be Na3BO3" +mp-557406,NaB3O5,-7.909018784,-2.7874472104,0.0,-0.0007577021,GGA,P2_1/c,A3BC5_mP108_14_9e_3e_15e:B-Na-O,108.0,"Invalid WP multiplicities - A3BC5_mP108_14_36e_8e_56e:B-Na-O, expected Na2B9O14 to be NaB3O5" +mp-556226,NaB3O5,-7.9079555578,-2.7863839842,0.0010632262,0.0003055241,GGA,P2_1/c,A3BC5_mP108_14_9e_3e_15e:B-Na-O,108.0,"Invalid WP multiplicities - A3BC5_mP108_14_30e_9e_58e:B-Na-O, expected Na9(B15O29)2 to be NaB3O5" +mp-554657,Na2Tl2B10O17,-7.7645512239,-2.6594556536,0.0,-0.0032963728,GGA,C2/c,A10B2C17D2_mC124_15_5f_f_e8f_f:B-Na-O-Tl,62.0,"Invalid WP multiplicities - A10B2C17D2_mC124_15_18f_f_2e30f_f:B-Na-O-Tl, expected NaTlB18O31 to be Na2Tl2B10O17" +mp-764966,Na2B8O13,-8.0312645388,-2.7970411475,0.0092172501,-0.0071216597,GGA,P2_1,A8B2C13_mP92_4_16a_4a_26a:B-Na-O,92.0,"Invalid WP multiplicities - A8B2C13_mP92_4_30a_8a_52a:B-Na-O, expected Na4B15O26 to be Na2B8O13" +mp-542300,Na2B8O13,-8.0404817889,-2.8062583976,0.0,-0.0163389099,GGA,P2_1/c,A8B2C13_mP92_14_8e_2e_13e:B-Na-O,92.0,A8B2C13_mP92_14_8e_2e_13e:B-Na-O +mp-1180429,Na2B4O17,-6.1241762022,-1.1912924734,0.359979991,0.359979991,GGA,C2/c,A4B2C17_mC92_15_2f_ce_e8f:B-Na-O,46.0,A4B2C17_mC92_15_2f_ae_e8f:B-Na-O +mp-1180840,Na2B4O17,-5.9041719572,-0.9712882284,0.579984236,0.579984236,GGA,C2/c,A4B2C17_mC92_15_2f_f_3e7f:B-Na-O,46.0,A4B2C17_mC92_15_2f_f_3e7f:B-Na-O +mp-1196752,Na2B4O17,-5.9042227261,-0.9713389973,0.5799334671,0.5799334671,GGA,C2/c,A4B2C17_mC92_15_2f_f_3e7f:B-Na-O,46.0,A4B2C17_mC92_15_2f_f_3e7f:B-Na-O +mp-1204782,Na2B4O17,-5.9494732159,-1.0165894871,0.5346829773,0.5346829773,GGA,C2/c,A4B2C17_mC92_15_2f_ce_e8f:B-Na-O,46.0,A4B2C17_mC92_15_2f_ae_e8f:B-Na-O +mp-17941,Na2B4O7,-7.6668234869,-2.7445589755,0.0,-0.0018621927,GGA,P-1,A4B2C7_aP52_2_8i_4i_14i:B-Na-O,52.0,"Invalid WP multiplicities - A4B2C7_aP52_2_8i_4i_17i:B-Na-O, expected Na4B8O17 to be Na2B4O7" +mp-557423,Na2B4O7,-7.6644034304,-2.7421389189000003,0.0024200565,0.0005578638,GGA,P-1,A4B2C7_aP78_2_12i_6i_21i:B-Na-O,78.0,"Invalid WP multiplicities - A4B2C7_aP78_2_22i_8i_40i:B-Na-O, expected Na4B11O20 to be Na2B4O7" +mp-1020142,Na2B4O7,-7.6481488799,-2.7258843685,0.018674607,0.0168124143,GGA,P3_221,A4B2C7_hP117_154_6c_ab2c_a10c:B-Na-O,117.0,A4B2C7_hP117_154_6c_ab2c_a10c:B-Na-O +mp-1178981,YbPS4,-5.0250115212,-1.1085598122,0.0677471229,0.0677471229,GGA,C2/c,AB4C_mC96_15_2f_8f_2ef:P-S-Yb,,"Invalid WP multiplicities - AB4C_mC96_15_8f_28f_4ef:P-S-Yb, expected Yb3(P2S7)4 to be YbPS4" +mp-555732,YbPS4,-5.0191386692,-1.1026869601,0.073619975,0.073619975,GGA,I4_1/acd,AB4C_tI96_142_e_2g_ab:P-S-Yb,,"Invalid WP multiplicities - AB4C_tI96_142_e_16g_2a2b:P-S-Yb, expected Yb2PS32 to be YbPS4" +mp-10838,NaYb(PS3)2,-4.9444023045000005,-1.0936585257,0.0,-0.0059581735,GGA,P-1,AB2C6D_aP20_2_i_2i_6i_i:Na-P-S-Yb,,"Invalid WP multiplicities - AB2C6D_aP20_2_i_2i_11i_i:Na-P-S-Yb, expected NaYbP2S11 to be NaYb(PS3)2" +mp-10964,CeB2Ir2C,-8.3159445333,-0.6163767751,0.0,-0.0183675879,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Ir,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Ir +mp-1203471,Co2Hg(CO)8,-7.5227321534,-0.7899348068000001,0.3695673112,0.3695673112,GGA+U,P2_1/c,A8B2CD8_mP76_14_8e_2e_e_8e:C-Co-Hg-O,76.0,A8B2CD8_mP76_14_8e_2e_e_8e:C-Co-Hg-O +mp-1198842,CsCuPS3,-4.6970805431,-0.8942036849,0.0,-0.04070815,GGA,P2_1/c,ABCD3_mP48_14_2e_2e_2e_6e:Cs-Cu-P-S,48.0,ABCD3_mP48_14_2e_2e_2e_6e:Cs-Cu-P-S +mp-27230,As2SO6,-6.48025666,-1.6874989995,0.0,-0.0198030869,GGA,P2_12_12,A2B6C_oP18_18_c_3c_a:As-O-S,18.0,"Invalid WP multiplicities - A2B6C_oP18_18_c_4c_a:As-O-S, expected As2SO8 to be As2SO6" +mp-1223194,La4As2(S2O)3,-6.9476738747,-2.366271837,0.0,-0.0241558802,GGA,Iba2,A2B4C3D6_oI60_45_c_2c_ac_3c:As-La-O-S,30.0,A2B4C3D6_oI60_45_c_2c_ac_3c:As-La-O-S +mp-28005,As2(SO4)3,-6.4409122334,-1.6710386483000002,0.0,-0.0132198149,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:As-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_2e_14e_3e:As-O-S, expected As2S3O14 to be As2(SO4)3" +mp-1223144,La4As2S5O4,-7.1167658653,-2.4813479047,0.0344906012,0.0344906012,GGA,P1,A2B4C4D5_aP15_1_2a_4a_4a_5a:As-La-O-S,15.0,A2B4C4D5_aP15_1_2a_4a_4a_5a:As-La-O-S +mp-1197011,As2S2O9,-6.4583582173,-1.6805632215,0.0016896087,-0.0038267593,GGA,Pc,A2B9C2_mP52_7_4a_18a_4a:As-O-S,52.0,A2B9C2_mP52_7_4a_18a_4a:As-O-S +mp-27739,As2S2O9,-6.460047826,-1.6822528302,0.0,-0.005516368,GGA,P2_1/c,A2B9C2_mP52_14_2e_9e_2e:As-O-S,52.0,"Invalid WP multiplicities - A2B9C2_mP52_14_3e_17e_4e:As-O-S, expected As3S4O17 to be As2S2O9" +mp-1103471,LaAsS,-6.4029513433,-1.825759551,0.0,-0.0857278039,GGA,Pnma,ABC_oP12_62_c_c_c:As-La-S,12.0,ABC_oP12_62_c_c_c:As-La-S +mp-555131,CsCO2,-6.9047940737,-1.900432752,0.0,-0.0171579095,GGA,P2_1/c,ABC2_mP32_14_2e_2e_4e:C-Cs-O,32.0,"Invalid WP multiplicities - ABC2_mP32_14_6e_4e_10e:C-Cs-O, expected Cs2C3O5 to be CsCO2" +mp-18698,CsPr(CO3)2,-7.9215673333,-2.5401901953,0.0,-0.1890362772,GGA,P-1,A2BC6D_aP40_2_4i_2i_12i_2i:C-Cs-O-Pr,40.0,"Invalid WP multiplicities - A2BC6D_aP40_2_5i_2i_16i_2i:C-Cs-O-Pr, expected Cs2Pr2C5O16 to be CsPr(CO3)2" +mp-545487,Cs(CO)2,-7.17184405,-1.3226218941,0.1977243075,0.1977243075,GGA,C2/m,A2BC2_mC20_12_j_i_j:C-Cs-O,10.0,A2BC2_mC20_12_j_i_j:C-Cs-O +mp-645330,Cs4CO4,-5.1672014222,-1.5453092194,0.2300069103,0.2300069103,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Cs-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_4c_2c:C-Cs-O, expected Cs8CO4 to be Cs4CO4" +mp-561834,Cs4CO4,-5.1869498411,-1.5650576382,0.2102584914,0.2102584914,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Cs-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_3c_4c:C-Cs-O, expected Cs6CO8 to be Cs4CO4" +mp-645303,Cs4CO4,-5.1637067589,-1.541814556,0.2335015736,0.2335015736,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-Cs-O,9.0,AB4C4_tI18_121_a_i_i:C-Cs-O +mp-562815,Cs4CO4,-5.1474236533,-1.5255314505,0.2497846792,0.2497846792,GGA,R3,AB4C4_hR27_146_a_ab_ab:C-Cs-O,9.0,AB4C4_hR27_146_a_ab_ab:C-Cs-O +mp-605824,Cs4CO4,-5.1504579011,-1.5285656982,0.2467504314,0.2467504314,GGA,P-43m,AB4C4_cP9_215_a_e_e:C-Cs-O,9.0,AB4C4_cP9_215_a_e_e:C-Cs-O +mp-616458,Cs2CO3,-6.3783698688,-2.0684471404,0.0,-0.3911096063,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:C-Cs-O,24.0,AB2C3_mP24_14_e_2e_3e:C-Cs-O +mp-1186702,Pr2Y2O5,-8.3524106967,-3.1048332197,0.4853094498,0.4853094498,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Pr-Y,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_h_ab:O-Pr-Y, expected Pr2Y2O9 to be Pr2Y2O5" +mp-753298,PrYO2,-8.4415180325,-3.1563294598,0.104276871,0.104276871,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Pr-Y,4.0,A2BC_hR12_166_c_a_b:O-Pr-Y +mp-1264671,PrYSi2O7,-8.3505512164,-3.1937481339,0.4507149778,0.4507149778,GGA,P-1,A7BC2D_aP44_2_14i_2i_4i_2i:O-Pr-Si-Y,44.0,"Invalid WP multiplicities - A7BC2D_aP44_2_28i_2i_7i_2i:O-Pr-Si-Y, expected Pr2Y2(SiO4)7 to be PrYSi2O7" +mp-680387,PrYSi2O7,-8.3368109073,-3.1800078248,0.4644552869,0.4644552869,GGA,P2_1/c,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y,44.0,"Invalid WP multiplicities - A7BC2D_mP44_14_25e_e_5e_e:O-Pr-Si-Y, expected PrY(SiO5)5 to be PrYSi2O7" +mp-1179961,PrYSi2O7,-8.6765927552,-3.5197896728,0.1246734389,0.1246734389,GGA,P2_1/c,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y,44.0,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y +mp-1180672,PrYSi2O7,-8.5623662848,-3.4055632023,0.2388999094,0.2388999094,GGA,P2_1/c,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y,44.0,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y +mp-1201353,PrYSi2O7,-8.7889370357,-3.6321339532,0.0123291584,0.0123291584,GGA,P2_1/c,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y,44.0,A7BC2D_mP44_14_7e_e_2e_e:O-Pr-Si-Y +mp-1227866,Ce3Se2NO,-7.9158367514,-2.4766547433,0.1959569871,0.1959569871,GGA,Cm,A3BCD2_mC42_8_9a_3a_3a_6a:Ce-N-O-Se,21.0,A3BCD2_mC42_8_9a_3a_3a_6a:Ce-N-O-Se +mp-1105809,Ce4Se3N2,-7.9471631667,-2.2923763997,0.0,-0.3203225211,GGA,C2/c,A4B2C3_mC36_15_2f_f_ef:Ce-N-Se,18.0,A4B2C3_mC36_15_2f_f_ef:Ce-N-Se +mp-1202693,Ce4Se3N2,-7.6225182539,-1.9677314869,0.3246449128,0.0043223917,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ce-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:Ce-N-Se +mp-1069558,Ce2SeN2,-8.316066302,-1.9090503745,0.0,-0.0578585989,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Ce-N-Se,5.0,A2B2C_hP5_164_d_d_a:Ce-N-Se +mp-729466,Ce(N4O9)2,-6.5733966867,-0.5857875994,0.4615833219,0.4615833219,GGA,P2_1/c,AB8C18_mP54_14_a_4e_9e:Ce-N-O,54.0,AB8C18_mP54_14_a_4e_9e:Ce-N-O +mp-1193362,Ce3Se3N,-7.2721974461,-2.0402693285,0.1842176681,0.1842176681,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Ce-N-Se,28.0,A3BC3_oP28_62_3c_c_3c:Ce-N-Se +mp-1197736,CeN3O13,-6.3695341038,-0.7666207405000001,0.3255993813,0.3255993813,GGA,Pbca,AB3C13_oP136_61_c_3c_13c:Ce-N-O,136.0,AB3C13_oP136_61_c_3c_13c:Ce-N-O +mp-1182126,Ce2(N2O9)3,-6.4159739594000005,-0.8318098719,0.2292039607,0.2292039607,GGA,P2_1/c,A2B6C27_mP70_14_e_3e_a13e:Ce-N-O,70.0,A2B6C27_mP70_14_e_3e_a13e:Ce-N-O +mp-555561,BaU(SiO4)2,-8.7561165271,-3.4532389688,0.0152462469,0.0152462469,GGA,Cmcm,AB8C2D_oC48_63_c_a3ch_f_c:Ba-O-Si-U,24.0,"Invalid WP multiplicities - AB8C2D_oC48_63_c_2a6c4h_f_c:Ba-O-Si-U, expected BaU(SiO12)2 to be BaU(SiO4)2" +mp-555880,ZnBi2B2O7,-6.9607253444,-2.2168648118,0.0,-0.0006596335,GGA,Pba2,A2B2C7D_oP48_32_2c_2c_ab6c_c:B-Bi-O-Zn,48.0,"Invalid WP multiplicities - A2B2C7D_oP48_32_7c_6c_2a2b17c_c:B-Bi-O-Zn, expected ZnBi6B7O19 to be ZnBi2B2O7" +mp-1223394,KTaTiO5,-8.9413442781,-3.2417052594,0.0009614055,0.0009614055,GGA,Pnma,AB5CD_oP32_62_c_5c_c_c:K-O-Ta-Ti,32.0,AB5CD_oP32_62_c_5c_c_c:K-O-Ta-Ti +mp-569408,K(CoAs)2,-5.334081748,-0.4050274786,0.0,-0.1034942189,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-K,5.0,A2B2C_tI10_139_e_d_a:As-Co-K +mp-29758,CoAs4F18,-5.0533642793,-2.4380854607,0.0,-0.0222840461,GGA+U,P2_1/c,A4BC18_mP46_14_ace_b_9e:As-Co-F,46.0,"Invalid WP multiplicities - A4BC18_mP46_14_2a2c2e_b_33e:As-Co-F, expected CoAs8F66 to be CoAs4F18" +mp-1194626,KCoAs3F18,-4.9489404099000005,-2.4879537415,0.0212619653,0.0212619653,GGA+U,Pnma,A3BC18D_oP92_62_cd_a_4c7d_c:As-Co-F-K,92.0,A3BC18D_oP92_62_cd_a_4c7d_c:As-Co-F-K +mp-6825,Ho2Si4CN6,-8.3121873773,-1.3803623848,0.0,-0.0589098384,GGA,P2_1/c,AB2C6D4_mP52_14_e_2e_6e_4e:C-Ho-N-Si,52.0,AB2C6D4_mP52_14_e_2e_6e_4e:C-Ho-N-Si +mp-29855,LaV3O9,-8.5970253492,-2.6964158326,0.0252724912,0.0252724912,GGA+U,P2_1/m,AB9C3_mP26_11_e_3e3f_ef:La-O-V,26.0,AB9C3_mP26_11_e_3e3f_ef:La-O-V +mp-1180989,LaV3TeO15,-7.227026228,-1.7504581341,0.2871663492,0.2871663492,GGA+U,R3c,AB15CD3_hR120_161_a_5b_a_b:La-O-Te-V,40.0,AB15CD3_hR120_161_a_5b_a_b:La-O-Te-V +mp-19350,LaVO3,-9.052061689,-3.2800658273,0.0,-0.0626297291,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:La-O-V,20.0,AB3C_oP20_62_c_cd_a:La-O-V +mp-19053,LaVO3,-8.874802302,-3.1028064403,0.177259387,0.1146296579,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:La-O-V,5.0,AB3C_cP5_221_a_c_b:La-O-V +mp-18989,LaVO4,-8.8242489012,-3.1898042312,0.0356014387,-0.1303896008,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:La-O-V,24.0,AB4C_mP24_14_e_4e_e:La-O-V +mp-19162,LaVO4,-8.85985034,-3.22540567,0.0,-0.1659910396,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:La-O-V,12.0,AB4C_tI24_141_a_h_b:La-O-V +mp-758402,La11V12O36,-9.0024162478,-3.2162510851,0.0239193471,0.0239193471,GGA+U,P1,A11B36C12_aP59_1_11a_36a_12a:La-O-V,59.0,A11B36C12_aP59_1_11a_36a_12a:La-O-V +mp-1212471,LaV2O2,-7.8543775725,-1.254938239,1.1300525276,1.1300525276,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:La-O-V,20.0,AB2C2_tI40_141_c_h_h:La-O-V +mp-29041,La11V4O26,-8.8470185705,-3.4995646942,0.0063998645,0.0063998645,GGA+U,P-1,A11B26C4_aP41_2_a5i_13i_2i:La-O-V,41.0,"Invalid WP multiplicities - A11B26C4_aP41_2_a7i_15i_2i:La-O-V, expected La15V4O30 to be La11V4O26" +mp-1096138,LaYAl2,-2.4167907975,2.3066166721,2.7238797871,2.7238797871,GGA,Immm,A2BC_oI8_71_e_a_b:Al-La-Y,4.0,A2BC_oI8_71_e_a_b:Al-La-Y +mp-997586,La7YAl8O24,-8.4424953443,-3.6999039303,0.0252283951,0.0252283951,GGA,Pm-3m,A8B7C24D_cP40_221_g_acd_ij_b:Al-La-O-Y,40.0,"Invalid WP multiplicities - A8B7C24D_cP40_221_g_a2c2d_7i7j_b:Al-La-O-Y, expected La13YAl8O168 to be La7YAl8O24" +mp-1222683,LaYAl4,-4.891009155,-0.4935455653,0.0226421425,0.0226421425,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-La-Y,6.0,A4BC_cF24_216_e_a_c:Al-La-Y +mp-541018,MnP4O11,-7.8745550547,-2.5477549833,0.0091524456,-0.0197309541,GGA+U,P-1,AB11C4_aP64_2_2i_22i_8i:Mn-O-P,64.0,AB11C4_aP64_2_2i_22i_8i:Mn-O-P +mp-557042,MnP4O11,-7.8837075003,-2.5569074289,0.0,-0.0288833997,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Mn-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_40e_11e:Mn-O-P, expected MnP11O40 to be MnP4O11" +mp-542084,MnP4O11,-7.8804579234,-2.553657852,0.0032495769,-0.0256338228,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Mn-O-P,64.0,AB11C4_mP64_14_e_11e_4e:Mn-O-P +mp-1176512,MnP4O11,-7.8789212544,-2.552121183,0.0047862459,-0.0240971537,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Mn-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_13e:Mn-O-P, expected MnP13O43 to be MnP4O11" +mp-31998,Mn(PO3)4,-7.6798776341,-2.3754370545,0.0501189563,0.0501189563,GGA+U,P-1,AB12C4_aP34_2_bc_12i_4i:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_aP34_2_bc_22i_7i:Mn-O-P, expected MnP7O22 to be Mn(PO3)4" +mp-32028,Mn(PO3)4,-7.6951338391,-2.3906932595,0.0348627513,0.0348627513,GGA+U,P2_1,AB12C4_mP34_4_a_12a_4a:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_mP34_4_a_22a_6a:Mn-O-P, expected Mn(P3O11)2 to be Mn(PO3)4" +mp-32018,Mn(PO3)4,-7.6784178615,-2.3739772818,0.0515787289,0.0515787289,GGA+U,C2/m,AB12C4_mC68_12_e_gi5j_2j:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_e_2h2i18j_6j:Mn-O-P, expected Mn(P3O10)4 to be Mn(PO3)4" +mp-759549,Mn(PO3)4,-7.6690295532,-2.3645889736,0.0609670371,0.0609670371,GGA+U,P2_1/c,AB12C4_mP34_14_a_6e_2e:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_mP34_14_a_21e_7e:Mn-O-P, expected Mn(PO3)14 to be Mn(PO3)4" +mp-26274,Mn(PO3)4,-7.6878265985,-2.3833860189,0.0421699919,0.0421699919,GGA+U,C2/c,AB12C4_mC68_15_e_2e5f_2f:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_3e17f_4f:Mn-O-P, expected MnP8O37 to be Mn(PO3)4" +mp-26156,Mn(PO3)4,-7.6766076359,-2.3721670563,0.0533889545,0.0533889545,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Mn-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_a_19f_4f:Mn-O-P, expected Mn(P4O19)2 to be Mn(PO3)4" +mp-26984,Mn(PO3)4,-7.7111183251,-2.4066777455,0.0188782652,0.0188782652,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Mn-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_21d_5d:Mn-O-P, expected Mn(P5O21)2 to be Mn(PO3)4" +mp-1567233,Mn3(P2O7)2,-8.0988542574,-2.4610972164,0.0479004443,0.0479004443,GGA+U,P1,A3B14C4_aP21_1_3a_14a_4a:Mn-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP21_1_6a_14a_4a:Mn-O-P, expected Mn3P2O7 to be Mn3(P2O7)2" +mp-26554,Mn3(P2O7)2,-8.1046965471,-2.4669395062,0.0420581545,0.0420581545,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Mn-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP21_2_2a2i_7i_2i:Mn-O-P, expected Mn3P2O7 to be Mn3(P2O7)2" +mp-706469,Mn3(P2O7)2,-8.0883140924,-2.4505570514,0.0584406093,0.0584406093,GGA+U,P-1,A3B14C4_aP42_2_3i_14i_4i:Mn-O-P,42.0,A3B14C4_aP42_2_6i_28i_8i:Mn-O-P +mp-694554,Mn3(P2O7)2,-8.128235176,-2.490478135,0.0185195257,0.0185195257,GGA+U,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Mn-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_ae_25e_5e:Mn-O-P, expected Mn3(PO5)10 to be Mn3(P2O7)2" +mp-772322,Mn3(P2O7)2,-8.1298459836,-2.4920889426,0.0169087181,0.0169087181,GGA+U,Pnma,A3B14C4_oP84_62_cd_2c6d_2d:Mn-O-P,84.0,"Invalid WP multiplicities - A3B14C4_oP84_62_3c2d_7c22d_5d:Mn-O-P, expected Mn7P10O51 to be Mn3(P2O7)2" +mp-935620,MnP2O7,-7.7466915523,-2.2851474238,0.099711384,0.0856147196,GGA+U,P1,AB7C2_aP40_1_4a_28a_8a:Mn-O-P,40.0,AB7C2_aP40_1_4a_28a_8a:Mn-O-P +mp-757059,MnP2O7,-7.6198041165,-2.1582599881,0.2265988197,0.2125021554,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mn-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_3i:Mn-O-P, expected MnP3O13 to be MnP2O7" +mp-585266,MnP2O7,-7.7737802988,-2.3122361703,0.0726226375,0.0585259731,GGA+U,P-1,AB7C2_aP40_2_2i_14i_4i:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP40_2_3i_27i_7i:Mn-O-P, expected Mn3P7O27 to be MnP2O7" +mp-584094,MnP2O7,-7.744445315,-2.2829011866,0.1019576212,0.0878609569,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mn-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_8i_2i:Mn-O-P, expected Mn(PO4)2 to be MnP2O7" +mp-771660,MnP2O7,-7.8464029362,-2.3848588078,0.0,-0.0140966644,GGA+U,P-1,AB7C2_aP20_2_be_7i_2i:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_aP20_2_2b2e_7i_2i:Mn-O-P, expected Mn2P2O7 to be MnP2O7" +mp-697742,MnP2O7,-7.820158615,-2.3586144866,0.0262443212,0.0121476569,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mn-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_12i_3i:Mn-O-P, expected Mn(PO4)3 to be MnP2O7" +mp-26734,MnP2O7,-7.838351588,-2.3768074596,0.0080513482,-0.0060453161,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mn-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_12i_2i:Mn-O-P, expected Mn(PO6)2 to be MnP2O7" +mp-26982,MnP2O7,-7.838663421,-2.3771192926,0.0077395152,-0.0063571491,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Mn-O-P,20.0,"Invalid WP multiplicities - AB7C2_mP20_4_a_12a_2a:Mn-O-P, expected Mn(PO6)2 to be MnP2O7" +mp-27032,MnP2O7,-7.793406423,-2.3318622946,0.0529965132,0.0388998489,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Mn-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b6c_c:Mn-O-P, expected MnP2O13 to be MnP2O7" +mp-540338,MnP2O7,-7.8105219305,-2.3489778021,0.0358810057,0.0217843414,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_5e:Mn-O-P, expected Mn(PO5)5 to be MnP2O7" +mp-770531,MnP2O7,-7.8452863443,-2.3837422158,0.001116592,-0.0129800724,GGA+U,P2_1/c,AB7C2_mP40_14_ad_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_2ab_23e_3e:Mn-O-P, expected Mn3(P3O23)2 to be MnP2O7" +mp-770558,MnP2O7,-7.8403206563,-2.3787765278,0.00608228,-0.0080143844,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_5e:Mn-O-P, expected Mn(PO5)5 to be MnP2O7" +mp-771388,MnP2O7,-7.8399290473,-2.3783849188,0.006473889,-0.0076227754,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_17e_3e:Mn-O-P, expected MnP3O17 to be MnP2O7" +mp-26340,MnP2O7,-7.815834021,-2.3542898926,0.0305689152,0.0164722509,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_3e:Mn-O-P, expected MnP3O25 to be MnP2O7" +mp-26632,MnP2O7,-7.8346811765,-2.3731370481000003,0.0117217597,-0.0023749046,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_3e:Mn-O-P, expected Mn(PO9)3 to be MnP2O7" +mp-540416,MnP2O7,-7.837064302,-2.3755201736,0.0093386342,-0.0047580301,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_27e_7e:Mn-O-P, expected MnP7O27 to be MnP2O7" +mp-770670,MnP2O7,-7.8063882603,-2.3448441318,0.040014676,0.0259180116,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Mn-O-P,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_3e_33e_7e:Mn-O-P, expected Mn3P7O33 to be MnP2O7" +mp-697788,MnP2O7,-7.7251302598,-2.2635861313,0.1212726765,0.1071760121,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_4e:Mn-O-P, expected MnP4O25 to be MnP2O7" +mp-26138,MnP2O7,-7.815780471,-2.3542363426,0.0306224652,0.0165258009,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_27f_3f:Mn-O-P, expected Mn(PO9)3 to be MnP2O7" +mp-770780,MnP2O7,-7.8119145744,-2.350370446,0.0344883619,0.0203916975,GGA+U,Pna2_1,AB7C2_oP80_33_2a_14a_4a:Mn-O-P,80.0,"Invalid WP multiplicities - AB7C2_oP80_33_5a_53a_13a:Mn-O-P, expected Mn5P13O53 to be MnP2O7" +mp-755561,MnP2O7,-7.8405998995,-2.3790557711,0.0058030367,-0.0082936276,GGA+U,P6_3/m,AB7C2_hP20_176_b_ci_f:Mn-O-P,40.0,AB7C2_hP20_176_b_ci_f:Mn-O-P +mp-770542,MnP2O7,-7.7895705033,-2.3280263748,0.056832433,0.0427357686,GGA+U,Pa-3,AB7C2_cP40_205_a_bd_c:Mn-O-P,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_2b2d_c:Mn-O-P, expected Mn(PO7)2 to be MnP2O7" +mp-770532,Mn2PO5,-8.4343525712,-2.3755054904,0.0391125172,0.0350488153,GGA+U,P-1,A2B5C_aP16_2_2i_5i_i:Mn-O-P,16.0,"Invalid WP multiplicities - A2B5C_aP16_2_3i_9i_i:Mn-O-P, expected Mn3PO9 to be Mn2PO5" +mp-771449,Mn2PO5,-8.4626064153,-2.4037593344,0.0108586731,0.0067949712,GGA+U,P-1,A2B5C_aP32_2_4i_10i_2i:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_aP32_2_7i_18i_3i:Mn-O-P, expected Mn7(PO6)3 to be Mn2PO5" +mp-770541,Mn2PO5,-8.4149170416,-2.3560699607,0.0585480469,0.054484345,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_e:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_3e_19e_e:Mn-O-P, expected Mn3PO19 to be Mn2PO5" +mp-1205238,Mn2PO5,-8.0214068798,-1.9625597989,0.4520582087,0.4479945068,GGA+U,P2_1/c,A2B5C_mP128_14_8e_20e_4e:Mn-O-P,128.0,A2B5C_mP128_14_8e_20e_4e:Mn-O-P +mp-770592,Mn2PO5,-8.4653258259,-2.4064787451000003,0.0081392625,0.0040755606,GGA+U,C2/c,A2B5C_mC64_15_2f_5f_f:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_5f_15f_f:Mn-O-P, expected Mn5PO15 to be Mn2PO5" +mp-1305204,Mn2PO5,-8.4448397244,-2.3859926435,0.0286253641,0.0245616622,GGA+U,C2/c,A2B5C_mC32_15_ac_e2f_e:Mn-O-P,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_a2c_e5f_e:Mn-O-P, expected Mn3PO11 to be Mn2PO5" +mp-770547,Mn2PO5,-8.4734650884,-2.4146180076,0.0,-0.0040637019,GGA+U,Pnnm,A2B5C_oP32_58_eg_3gh_g:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_oP32_58_2e2g_11g2h_g:Mn-O-P, expected Mn4PO15 to be Mn2PO5" +mp-770538,Mn2PO5,-8.4690239209,-2.4101768401,0.0044411675,0.0003774656,GGA+U,Pnma,A2B5C_oP32_62_ac_3cd_c:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_2a2c_9c4d_c:Mn-O-P, expected Mn4PO17 to be Mn2PO5" +mp-770540,Mn2PO5,-8.4555618984,-2.3967148176,0.01790319,0.0138394881,GGA+U,Pnma,A2B5C_oP32_62_ac_3cd_c:Mn-O-P,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_2a2c_9c4d_c:Mn-O-P, expected Mn4PO17 to be Mn2PO5" +mp-754106,Mn2PO5,-8.444785085,-2.3859380041,0.0286800034,0.0246163015,GGA+U,I4_1/amd,A2B5C_tI32_141_c_ah_b:Mn-O-P,16.0,"Invalid WP multiplicities - A2B5C_tI32_141_c_2a3h_b:Mn-O-P, expected Mn2PO14 to be Mn2PO5" +mp-771843,Mn3(PO4)2,-8.5376331146,-2.5463899931,0.0013341223,-0.0362070945,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Mn-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_4e_e:Mn-O-P, expected Mn3PO4 to be Mn3(PO4)2" +mp-763259,Mn3(PO4)2,-8.5389672369,-2.5477241154,0.0,-0.0375412168,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Mn-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_4e_e:Mn-O-P, expected Mn3PO4 to be Mn3(PO4)2" +mp-770563,Mn3(PO4)2,-8.5240541252,-2.5328110037,0.0149131117,-0.0226281051,GGA+U,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:Mn-O-P,52.0,"Invalid WP multiplicities - A3B8C2_mP52_14_5e_29e_3e:Mn-O-P, expected Mn5P3O29 to be Mn3(PO4)2" +mp-699908,Mn3(PO4)2,-8.5284994079,-2.5372562864,0.010467829,-0.0270733878,GGA+U,P2_1/c,A3B8C2_mP156_14_9e_24e_6e:Mn-O-P,156.0,"Invalid WP multiplicities - A3B8C2_mP156_14_35e_94e_20e:Mn-O-P, expected Mn35(P10O47)2 to be Mn3(PO4)2" +mp-558631,Mn3(PO4)2,-8.5339213696,-2.5426782481,0.0050458673,-0.0324953495,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Mn-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_9e_e:Mn-O-P, expected Mn3PO9 to be Mn3(PO4)2" +mp-1197349,Mn5(PO5)4,-7.7607238722,-2.0228941925,0.1859999231,0.1859999231,GGA+U,C2/c,A5B20C4_mC116_15_e2f_10f_2f:Mn-O-P,58.0,A5B20C4_mC116_15_e2f_10f_2f:Mn-O-P +mp-27026,Mn2P5O16,-7.869606655,-2.4549300247,0.0034982244,0.0034982244,GGA+U,P2/c,A2B16C5_mP46_13_g_8g_e2g:Mn-O-P,46.0,"Invalid WP multiplicities - A2B16C5_mP46_13_g_30g_2e7g:Mn-O-P, expected Mn(P4O15)2 to be Mn2P5O16" +mp-1201965,Mn5(PO6)2,-8.349351723,-2.2442493015,0.0743781999999999,0.0743781999999999,GGA+U,P2_12_12_1,A5B12C2_oP76_19_5a_12a_2a:Mn-O-P,76.0,A5B12C2_oP76_19_5a_12a_2a:Mn-O-P +mp-1210854,Mn2PO4,-8.3351442207,-2.1174173727,0.2613462849,0.2613462849,GGA+U,Pnma,A2B4C_oP28_62_ac_2cd_c:Mn-O-P,28.0,A2B4C_oP28_62_ac_2cd_c:Mn-O-P +mp-1203802,Mn3(PO7)2,-7.1659421024,-1.5045582683,0.3238091991,0.3238091991,GGA+U,P2_1,A3B14C2_mP38_4_3a_14a_2a:Mn-O-P,38.0,A3B14C2_mP38_4_3a_14a_2a:Mn-O-P +mp-1040954,Mn2P2O9,-7.870113251,-2.2031260203,0.0521776314,0.0521776314,GGA+U,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Mn-O-P,52.0,"Invalid WP multiplicities - A2B9C2_oP52_62_ac_7c2d_2c:Mn-O-P, expected Mn2P2O11 to be Mn2P2O9" +mp-26062,Mn2(PO4)3,-7.7437835912,-2.2188304948,0.046349612,0.046349612,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Mn-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_2c_19f_f:Mn-O-P, expected Mn2(PO19)3 to be Mn2(PO4)3" +mp-1180377,Mn7(PO8)2,-8.1829094478,-2.0186001903,0.1771594635,0.1771594635,GGA+U,P2_1/c,A7B16C2_mP50_14_a3e_8e_e:Mn-O-P,50.0,A7B16C2_mP50_14_a3e_8e_e:Mn-O-P +mp-770499,Mn4P2O9,-8.5899084478,-2.4569174756,0.0150907768,0.0150907768,GGA+U,P2_1/c,A4B9C2_mP60_14_4e_9e_2e:Mn-O-P,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_11e_33e_7e:Mn-O-P, expected Mn11P7O33 to be Mn4P2O9" +mp-26978,Mn2P3O10,-8.1071775597,-2.5051225452,0.0301759307,0.0301759307,GGA+U,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Mn-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_6e11f_3e:Mn-O-P, expected Mn2P3O28 to be Mn2P3O10" +mp-697794,Mn2P3O10,-8.057264246,-2.4552092316,0.0800892443,0.0800892443,GGA+U,C2/c,A2B10C3_mC60_15_f_5f_ef:Mn-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mC60_15_f_17f_2e2f:Mn-O-P, expected MnP3O17 to be Mn2P3O10" +mp-504117,Mn9(P2O7)8,-7.8634557346,-2.356226777,0.0624969669,0.0624969669,GGA+U,P-1,A9B56C16_aP81_2_a4i_28i_8i:Mn-O-P,81.0,"Invalid WP multiplicities - A9B56C16_aP81_2_a8i_55i_15i:Mn-O-P, expected Mn17(P3O11)10 to be Mn9(P2O7)8" +mp-849889,MnPO4,-8.1004495961,-2.3734374888,0.0698081339,0.0387854543,GGA+U,P-1,AB4C_aP36_2_ad2i_12i_3i:Mn-O-P,36.0,"Invalid WP multiplicities - AB4C_aP36_2_ad4i_24i_5i:Mn-O-P, expected Mn5P5O24 to be MnPO4" +mp-540022,MnPO4,-8.14843575,-2.4214236427,0.02182198,-0.0092006996,GGA+U,P-1,AB4C_aP12_2_i_4i_i:Mn-O-P,12.0,"Invalid WP multiplicities - AB4C_aP12_2_i_8i_i:Mn-O-P, expected MnPO8 to be MnPO4" +mp-689981,MnPO4,-8.077370465,-2.3503583577,0.092887265,0.0618645854,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_aP24_2_4i_15i_4i:Mn-O-P, expected Mn4P4O15 to be MnPO4" +mp-26940,MnPO4,-8.1042512975,-2.3772391902,0.0660064325,0.0349837529,GGA+U,P2_1,AB4C_mP24_4_2a_8a_2a:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_4_2a_16a_3a:Mn-O-P, expected Mn2P3O16 to be MnPO4" +mp-2234661,MnPO4,-7.9818944775,-2.2548823702,0.1883632525,0.1573405729,GGA+U,C2,AB4C_mC24_5_ab_4c_ab:Mn-O-P,12.0,"Invalid WP multiplicities - AB4C_oF48_43_a_5b_a:Mn-O-P, expected MnPO10 to be MnPO4" +mp-26820,MnPO4,-8.0669995633,-2.339987456,0.1032581667,0.072235487,GGA+U,Pc,AB4C_mP24_7_2a_8a_2a:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_7_4a_15a_4a:Mn-O-P, expected Mn4P4O15 to be MnPO4" +mp-705467,MnPO4,-8.0507751404,-2.3237630331,0.1194825896,0.08845991,GGA+U,Cc,AB4C_mC192_9_8a_32a_8a:Mn-O-P,96.0,"Invalid WP multiplicities - AB4C_mC192_9_14a_62a_15a:Mn-O-P, expected Mn14P15O62 to be MnPO4" +mp-756668,MnPO4,-8.0769416267,-2.3499295194,0.0933161033,0.0622934237,GGA+U,Cc,AB4C_mC24_9_a_4a_a:Mn-O-P,12.0,"Invalid WP multiplicities - AB4C_mC24_9_a_8a_a:Mn-O-P, expected MnPO8 to be MnPO4" +mp-704492,MnPO4,-8.0691060268,-2.3420939195,0.1011517032,0.0701290236,GGA+U,Cc,AB4C_mC192_9_8a_32a_8a:Mn-O-P,96.0,"Invalid WP multiplicities - AB4C_mC192_9_14a_64a_15a:Mn-O-P, expected Mn14P15O64 to be MnPO4" +mp-697761,MnPO4,-8.0394815083,-2.312469401,0.1307762217,0.099753542,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_14e_e:Mn-O-P, expected MnPO14 to be MnPO4" +mp-772265,MnPO4,-8.1396370088,-2.4126249015,0.0306207213,-0.0004019584,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Mn-O-P, expected MnPO13 to be MnPO4" +mp-27066,MnPO4,-8.1003726311,-2.3733605238,0.0698850989,0.0388624193,GGA+U,P2_1/c,AB4C_mP72_14_3e_12e_3e:Mn-O-P,72.0,"Invalid WP multiplicities - AB4C_mP72_14_9e_46e_9e:Mn-O-P, expected Mn9P9O46 to be MnPO4" +mp-540146,MnPO4,-8.0881735896,-2.3611614823,0.0820841404,0.0510614608,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Mn-O-P, expected MnPO13 to be MnPO4" +mp-768444,MnPO4,-8.1454278083,-2.418415701,0.0248299217,-0.006192758,GGA+U,C2/c,AB4C_mC72_15_ef_6f_ef:Mn-O-P,36.0,"Invalid WP multiplicities - AB4C_mC72_15_2e3f_21f_2e3f:Mn-O-P, expected Mn4P4O21 to be MnPO4" +mp-1040932,MnPO4,-8.0250029444,-2.2979908371,0.1452547856,0.114232106,GGA+U,C2/c,AB4C_mC96_15_cef_8f_2f:Mn-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Mn-O-P, expected Mn7(PO5)12 to be MnPO4" +mp-25972,MnPO4,-8.1177359825,-2.3907238752,0.0525217475,0.0214990679,GGA+U,Fdd2,AB4C_oF48_43_a_2b_a:Mn-O-P,12.0,"Invalid WP multiplicities - AB4C_oF48_43_a_6b_a:Mn-O-P, expected MnPO12 to be MnPO4" +mp-540118,MnPO4,-8.0811762542,-2.3541641469,0.0890814758,0.0580587962,GGA+U,Pna2_1,AB4C_oP24_33_a_4a_a:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_33_a_15a_a:Mn-O-P, expected MnPO15 to be MnPO4" +mp-770555,MnPO4,-8.0882716929,-2.3612595856,0.0819860371,0.0509633575,GGA+U,Pbca,AB4C_oP48_61_c_4c_c:Mn-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_61_c_13c_c:Mn-O-P, expected MnPO13 to be MnPO4" +mp-777460,MnPO4,-8.17025773,-2.4432456227,0.0,-0.0310226796,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Mn-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_a_8c3d_c:Mn-O-P, expected MnPO14 to be MnPO4" +mp-26980,MnPO4,-8.1676210812,-2.440608974,0.0026366488,-0.0283860309,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Mn-O-P,24.0,AB4C_oP24_62_c_2cd_c:Mn-O-P +mp-26220,MnPO4,-8.15864964,-2.4316375327,0.01160809,-0.0194145896,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Mn-O-P,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_2f3g_c:Mn-O-P, expected MnPO10 to be MnPO4" +mp-694547,MnPO4,-8.0853147203,-2.358302613,0.0849430097,0.0539203301,GGA+U,R3,AB4C_hR108_146_2b_8b_2b:Mn-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_146_4b_23b_3b:Mn-O-P, expected Mn4P3O23 to be MnPO4" +mp-756329,MnPO4,-8.0824741583,-2.355462051,0.0877835717,0.056760892,GGA+U,P3_121,AB4C_hP18_152_a_2c_b:Mn-O-P,18.0,"Invalid WP multiplicities - AB4C_hP18_152_a_8c_b:Mn-O-P, expected MnPO16 to be MnPO4" +mp-26284,MnPO4,-8.0146394169,-2.2876273097,0.1556183131,0.1245956334,GGA+U,P31c,AB4C_hP36_159_c_a2b3c_a2b:Mn-O-P,36.0,"Invalid WP multiplicities - AB4C_hP36_159_c_2a4b16c_2a4b:Mn-O-P, expected Mn(PO9)2 to be MnPO4" +mp-772269,MnPO4,-8.1206567878,-2.3936446805,0.0496009422,0.0185782626,GGA+U,R-3c,AB4C_hR108_167_bc_2f_e:Mn-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_167_2b2c_13f_e:Mn-O-P, expected Mn2PO26 to be MnPO4" +mp-1047928,Mn3P3O13,-7.9607793471,-2.2748368922,0.0398168556,0.0398168556,GGA+U,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Mn-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Mn-O-P, expected Mn5P3O34 to be Mn3P3O13" +mp-542139,Mn(PO3)2,-8.1154173306,-2.5966670447,0.0,-0.0292036339,GGA+U,C2/c,AB6C2_mC72_15_ce_6f_2f:Mn-O-P,36.0,AB6C2_mC72_15_ce_6f_2f:Mn-O-P +mp-849736,Mn(PO3)5,-7.5616166469,-2.3030995758,0.0670738869,0.0670738869,GGA+U,P2_1/m,AB15C5_mP42_11_a_3e6f_e2f:Mn-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_11_a_5e12f_e4f:Mn-O-P, expected MnP9O29 to be Mn(PO3)5" +mp-1212571,MnPO7,-6.5820520799,-1.1151477713,0.5136826439000001,0.5136826439000001,GGA+U,Pbca,AB7C_oP72_61_c_7c_c:Mn-O-P,72.0,AB7C_oP72_61_c_7c_c:Mn-O-P +mp-770561,Mn2P4O13,-7.9758205538,-2.4871787719,0.0051757221,0.0051757221,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Mn-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Mn-O-P, expected MnP5O17 to be Mn2P4O13" +mp-770535,Mn2P4O13,-7.8993685547,-2.4107267728,0.0816277212,0.0816277212,GGA+U,C2/c,A2B13C4_mC76_15_f_e6f_2f:Mn-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e23f_3f:Mn-O-P, expected Mn(PO8)3 to be Mn2P4O13" +mp-770376,Mn2P4O13,-7.9462106466,-2.4575688646,0.0347856294,0.0347856294,GGA+U,C222_1,A2B13C4_oC76_20_c_a6c_2c:Mn-O-P,38.0,"Invalid WP multiplicities - A2B13C4_oC76_20_c_2a11c_3c:Mn-O-P, expected Mn(PO4)3 to be Mn2P4O13" +mp-540414,Mn4P7O24,-7.9587717656,-2.437008686,0.0162140912,0.0162140912,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Mn-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_8i_47i_12i:Mn-O-P, expected Mn8P12O47 to be Mn4P7O24" +mp-1364006,Mn4P7O24,-1.5540682326000002,3.967694847,6.4209176242,6.4209176242,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Mn-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_7i_47i_13i:Mn-O-P, expected Mn7P13O47 to be Mn4P7O24" +mp-1200077,MnP2O5,-7.2781480594,-1.6878900767,0.7800314877000001,0.7800314877000001,GGA+U,P2_1/c,AB5C2_mP64_14_2e_10e_4e:Mn-O-P,64.0,AB5C2_mP64_14_2e_10e_4e:Mn-O-P +mp-21066,TaMnP,-9.5795856217,-0.7685538121000001,0.0,-0.1148353309,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-P-Ta,12.0,ABC_oP12_62_c_c_c:Mn-P-Ta +mp-779338,Mn4(P2O7)3,-7.831011069,-2.250096903,0.2232477053,0.2232477053,GGA+U,P2_1/c,A4B21C6_mP124_14_4e_21e_6e:Mn-O-P,124.0,"Invalid WP multiplicities - A4B21C6_mP124_14_13e_81e_21e:Mn-O-P, expected Mn13(P7O27)3 to be Mn4(P2O7)3" +mp-1211068,Mn(PO5)2,-6.7603577154,-1.4176263755,0.4168803997,0.4168803997,GGA+U,P2_1/c,AB10C2_mP26_14_a_5e_e:Mn-O-P,26.0,AB10C2_mP26_14_a_5e_e:Mn-O-P +mp-504168,Mn6P7O24,-8.281497441900001,-2.5629639725,0.0034517354,0.0034517354,GGA+U,P2_1/m,A6B24C7_mP74_11_3f_2e11f_e3f:Mn-O-P,74.0,"Invalid WP multiplicities - A6B24C7_mP74_11_9f_4e41f_2e11f:Mn-O-P, expected Mn9P12O43 to be Mn6P7O24" +mp-26066,Mn6PO12,-8.351369917,-2.0489668225,0.0684241762,0.0684241762,GGA+U,I4_1/acd,A6B12C_tI152_142_cef_3g_a:Mn-O-P,76.0,"Invalid WP multiplicities - A6B12C_tI152_142_6c6e4f_31g_a:Mn-O-P, expected Mn32PO124 to be Mn6PO12" +mp-1210723,MnPO3,-8.0464323208,-2.1633555343,0.307091315,0.307091315,GGA+U,P2_1/c,AB3C_mP40_14_2e_6e_2e:Mn-O-P,40.0,AB3C_mP40_14_2e_6e_2e:Mn-O-P +mp-770696,Mn7(PO4)6,-8.2898262497,-2.4699762185000003,0.0099780638,0.0099780638,GGA+U,P-1,A7B24C6_aP37_2_a3i_12i_3i:Mn-O-P,37.0,"Invalid WP multiplicities - A7B24C6_aP37_2_a5i_23i_5i:Mn-O-P, expected Mn11(P5O23)2 to be Mn7(PO4)6" +mp-704227,Mn9(PO4)8,-8.2248482586,-2.4277340455,0.043230361,0.043230361,GGA+U,P-1,A9B32C8_aP49_2_bcd3i_16i_4i:Mn-O-P,49.0,"Invalid WP multiplicities - A9B32C8_aP49_2_bcd5i_31i_8i:Mn-O-P, expected Mn13(P8O31)2 to be Mn9(PO4)8" +mp-882498,Mn2(PO3)5,-7.9402830311,-2.5043342227,0.0440869161,0.0440869161,GGA+U,P2/c,A2B15C5_mP44_13_g_e7g_f2g:Mn-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_13_g_2e26g_f6g:Mn-O-P, expected Mn2P13O54 to be Mn2(PO3)5" +mp-732282,Mn(PO4)2,-7.0495497523,-1.6348106618,0.5332427999,0.5332427999,GGA+U,Pc,AB8C2_mP22_7_a_8a_2a:Mn-O-P,22.0,AB8C2_mP22_14_a_4e_e:Mn-O-P +mp-1192317,Mn(PO4)2,-7.0517983036,-1.6370592131,0.5309942485,0.5309942485,GGA+U,P2_1/c,AB8C2_mP22_14_a_4e_e:Mn-O-P,22.0,AB8C2_mP22_14_a_4e_e:Mn-O-P +mp-753884,Mn(PO4)2,-7.3609926355,-1.946253545,0.2217999167,0.2217999167,GGA+U,C2/c,AB8C2_mC44_15_a_4f_f:Mn-O-P,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_a_13f_f:Mn-O-P, expected Mn(PO13)2 to be Mn(PO4)2" +mp-26060,Mn3(PO4)4,-7.7560006499,-2.1783365071,0.1332954734,0.1332954734,GGA+U,P1,A3B16C4_aP69_1_9a_48a_12a:Mn-O-P,69.0,A3B16C4_aP69_1_9a_48a_12a:Mn-O-P +mp-704991,Mn3(PO4)4,-7.769633488,-2.1919693453,0.1196626352,0.1196626352,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Mn-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_4a_31a_8a:Mn-O-P, expected Mn4P8O31 to be Mn3(PO4)4" +mp-26144,Mn3(PO4)4,-7.749241225,-2.1715770823,0.1400548982,0.1400548982,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Mn-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_4a_29a_7a:Mn-O-P, expected Mn4P7O29 to be Mn3(PO4)4" +mp-697730,Mn3(PO4)4,-7.7947783707,-2.2171142279,0.0945177526,0.0945177526,GGA+U,C2/c,A3B16C4_mC92_15_cf_8f_2f:Mn-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mC92_15_2a2f_28f_5f:Mn-O-P, expected Mn3P5O28 to be Mn3(PO4)4" +mp-31954,Mn5(P3O11)2,-8.1276182676,-2.4574048389,0.0276829898,0.0276829898,GGA+U,P2_1/c,A5B22C6_mP66_14_a2e_11e_3e:Mn-O-P,66.0,"Invalid WP multiplicities - A5B22C6_mP66_14_a5e_42e_10e:Mn-O-P, expected Mn11(P5O21)4 to be Mn5(P3O11)2" +mp-704236,Mn(PO3)3,-7.834416161,-2.4557914522,0.0592286747,0.0409754562,GGA+U,P-1,AB9C3_aP52_2_2i_18i_6i:Mn-O-P,52.0,"Invalid WP multiplicities - AB9C3_aP52_2_3i_35i_11i:Mn-O-P, expected Mn3P11O35 to be Mn(PO3)3" +mp-763790,Mn(PO3)3,-7.8481400265,-2.4695153178,0.0455048091,0.0272515906,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Mn-O-P,52.0,AB9C3_aP26_2_i_9i_3i:Mn-O-P +mp-540439,Mn(PO3)3,-7.8476178058,-2.4689930971000003,0.0460270299,0.0277738114,GGA+U,P-1,AB9C3_aP26_2_i_9i_3i:Mn-O-P,26.0,AB9C3_aP26_2_i_9i_3i:Mn-O-P +mp-771905,Mn(PO3)3,-7.8936448356,-2.5150201269,0.0,-0.0182532185,GGA+U,Cc,AB9C3_mC156_9_3a_27a_9a:Mn-O-P,78.0,"Invalid WP multiplicities - AB9C3_mC156_9_5a_54a_18a:Mn-O-P, expected Mn5(PO3)18 to be Mn(PO3)3" +mp-504351,Mn(PO3)3,-7.8849207981,-2.5062960894,0.0087240376,-0.0095291809,GGA+U,Cc,AB9C3_mC52_9_a_9a_3a:Mn-O-P,26.0,AB9C3_mC52_9_a_9a_3a:Mn-O-P +mp-25237,Mn(PO3)3,-7.8829290156,-2.5043043069,0.0107158201,-0.0075373984,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Mn-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_8a:Mn-O-P, expected MnP8O33 to be Mn(PO3)3" +mp-557190,Mn(PO3)3,-7.7757738588,-2.3971491501,0.1178709768,0.0996177583,GGA+U,Pccn,AB9C3_oP52_56_a_c4e_de:Mn-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_56_a_4c23e_4d5e:Mn-O-P, expected Mn(P7O25)2 to be Mn(PO3)3" +mp-25958,Mn4(PO4)3,-8.3939318066,-2.486130058,0.0286008492,0.0286008492,GGA+U,P-1,A4B12C3_aP38_2_4i_12i_3i:Mn-O-P,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_7i_23i_5i:Mn-O-P, expected Mn7P5O23 to be Mn4(PO4)3" +mp-25970,Mn4(PO4)3,-8.3979655008,-2.4901637522,0.024567155,0.024567155,GGA+U,Cc,A4B12C3_mC76_9_4a_12a_3a:Mn-O-P,38.0,"Invalid WP multiplicities - A4B12C3_mC76_9_8a_23a_5a:Mn-O-P, expected Mn8P5O23 to be Mn4(PO4)3" +mp-585388,Mn4(PO4)3,-8.3615530437,-2.4537512951,0.0609796121,0.0609796121,GGA+U,Cc,A4B12C3_mC76_9_4a_12a_3a:Mn-O-P,38.0,"Invalid WP multiplicities - A4B12C3_mC76_9_8a_24a_5a:Mn-O-P, expected Mn8P5O24 to be Mn4(PO4)3" +mp-504398,Mn4(PO4)3,-8.3874950008,-2.4796932522,0.035037655,0.035037655,GGA+U,Pnnm,A4B12C3_oP76_58_2gh_6g3h_3g:Mn-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_58_6g2h_22g10h_10g:Mn-O-P, expected Mn5P5O21 to be Mn4(PO4)3" +mp-26394,Mn4(PO4)3,-8.3601850484,-2.4523832998,0.0623476074,0.0623476074,GGA+U,Pnma,A4B12C3_oP76_62_2d_2c5d_cd:Mn-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_62_5d_6c22d_3c2d:Mn-O-P, expected Mn10P7O50 to be Mn4(PO4)3" +mp-25932,Mn4(PO4)3,-8.3937228418,-2.4859210932,0.0288098139,0.0288098139,GGA+U,I-42d,A4B12C3_tI76_122_cd_3e_ad:Mn-O-P,38.0,"Invalid WP multiplicities - A4B12C3_tI76_122_3c3d_15e_ad:Mn-O-P, expected Mn4PO20 to be Mn4(PO4)3" +mp-705354,Mn4(PO4)3,-8.3620608913,-2.4542591427,0.0604717645,0.0604717645,GGA+U,R3c,A4B12C3_hR114_161_ab_4b_b:Mn-O-P,38.0,"Invalid WP multiplicities - A4B12C3_hR114_161_ab_19b_b:Mn-O-P, expected Mn4(PO19)3 to be Mn4(PO4)3" +mp-1208509,Ta2Mn(P2O7)3,-8.4723765268,-2.8311149092,0.0,-0.0159645388,GGA+U,P2_1/c,AB21C6D2_mP60_14_a_c10e_3e_e:Mn-O-P-Ta,60.0,AB21C6D2_mP60_14_a_c10e_3e_e:Mn-O-P-Ta +mp-540042,Mn5(P2O7)4,-7.9685405276,-2.4167410049,0.0350217009,0.0350217009,GGA+U,P-1,A5B28C8_aP82_2_5i_28i_8i:Mn-O-P,82.0,"Invalid WP multiplicities - A5B28C8_aP82_2_8i_54i_14i:Mn-O-P, expected Mn4P7O27 to be Mn5(P2O7)4" +mp-675297,Mn4P4O13,-8.3277958783,-2.4893090002,0.0399987008,0.0399987008,GGA+U,P-1,A4B13C4_aP84_2_8i_26i_8i:Mn-O-P,84.0,"Invalid WP multiplicities - A4B13C4_aP84_2_14i_52i_14i:Mn-O-P, expected Mn7P7O26 to be Mn4P4O13" +mp-25830,Mn2P3O11,-7.9332572178,-2.3721625973,0.0345912661,0.0345912661,GGA+U,C2/c,A2B11C3_mC64_15_f_e5f_ef:Mn-O-P,32.0,"Invalid WP multiplicities - A2B11C3_mC64_15_f_2e20f_2e2f:Mn-O-P, expected Mn(PO7)3 to be Mn2P3O11" +mp-778008,Mn7(P2O7)4,-8.2714089194,-2.5516923842,0.0,-0.0049263998,GGA+U,C222_1,A7B28C8_oC172_20_2ab2c_14c_4c:Mn-O-P,86.0,"Invalid WP multiplicities - A7B28C8_oC172_20_4ab4c_27c_7c:Mn-O-P, expected Mn13(P7O27)2 to be Mn7(P2O7)4" +mp-1221802,Mn2P2O7,-8.3805339409,-2.5825833431,0.0002342232,-0.0148371202,GGA+U,C2,A2B7C2_mC22_5_2a_b3c_c:Mn-O-P,11.0,A2B7C2_mC22_5_2a_b3c_c:Mn-O-P +mp-18721,Mn2P2O7,-8.380768164100001,-2.5828175663,0.0,-0.0150713434,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Mn-O-P,22.0,A2B7C2_mC22_12_h_aij_i:Mn-O-P +mp-755644,Mn2P2O7,-8.3801659359,-2.5822153381,0.0006022282,-0.0144691152,GGA+U,P2_1/c,A2B7C2_mP22_14_e_a3e_e:Mn-O-P,22.0,A2B7C2_mP22_14_e_a3e_e:Mn-O-P +mp-1110649,Rb2LiYF6,-5.77017989,-3.589646297,0.0,-0.0101200225,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-Y +mp-1210965,LiYF2,-5.6085945906,-2.5590066119,0.5163754087,0.5163754087,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Y,16.0,A2BC_tI32_141_h_c_d:F-Li-Y +mp-1211041,LiYF2,-5.6754273637,-2.625839385,0.4495426356,0.4495426356,GGA,I4_1/amd,A2BC_tI32_141_h_c_d:F-Li-Y,16.0,A2BC_tI32_141_h_c_d:F-Li-Y +mp-1110575,Li3YF6,-5.694286714,-3.3280753622,0.3623830625,0.3623830625,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-Y,10.0,A6B3C_cF40_225_e_ac_b:F-Li-Y +mp-3941,LiYF4,-6.6910579167,-4.0208396083,0.0192947008,-0.0135416787,GGA,P2/c,A4BC_mP12_13_2g_e_f:F-Li-Y,12.0,"Invalid WP multiplicities - A4BC_mP12_13_3g_e_f:F-Li-Y, expected LiYF6 to be LiYF4" +mp-556472,LiYF4,-6.7100301258,-4.0398118175,0.0003224917,-0.0325138879,GGA,C2/c,A4BC_mC24_15_2f_e_e:F-Li-Y,12.0,"Invalid WP multiplicities - A4BC_mC24_15_6f_e_e:F-Li-Y, expected LiYF12 to be LiYF4" +mp-3700,LiYF4,-6.7103526175,-4.0401343092,0.0,-0.0328363796,GGA,I4_1/a,A4BC_tI24_88_f_a_b:F-Li-Y,12.0,A4BC_tI24_88_f_a_b:F-Li-Y +mp-1211243,KLuBeF6,-6.2222101356,-3.9066950092,0.0,-0.0108333622,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Lu,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Lu +mp-1245940,CsSnN,-4.3765735983,0.0372494524,0.3717029948,0.3717029948,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cs-N-Sn,6.0,ABC_hP6_186_b_b_a:Cs-N-Sn +mp-505233,Cs2Sn(H2N)6,-4.9900880581,-0.3933233586,0.0173224428,0.0173224428,GGA,P-3,A2B12C6D_hP21_147_d_2g_g_a:Cs-H-N-Sn,21.0,A2B12C6D_hP21_147_d_2g_g_a:Cs-H-N-Sn +mp-1112432,K2AsAuI6,-2.77027385,-0.8708742101,0.0789657407,0.0789657407,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Au-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Au-I-K +mp-1111178,K3AsI6,-2.811689058,-1.1286377234,0.1025925115,0.1025925115,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:As-I-K,10.0,AB6C3_cF40_225_a_e_bc:As-I-K +mp-6968,Cs2KCuF6,-4.42382984,-2.5769014234,0.0,-0.080056602,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-K,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Cu-F-K +mp-555217,Dy3Se4O12F,-6.9398021742000005,-2.4860146776,0.0,-0.1492986848,GGA,P6_3mc,A3BC12D4_hP40_186_c_b_2cd_bc:Dy-F-O-Se,40.0,"Invalid WP multiplicities - A3BC12D4_hP40_186_c_b_9c9d_2b3c:Dy-F-O-Se, expected Dy3Se11O81F to be Dy3Se4O12F" +mp-1194579,Dy2SeOF2,-7.3215033728,-3.7416480721,0.0,-0.0022567172,GGA,P6_3/m,A2B2CD_hP36_176_2h_2h_h_h:Dy-F-O-Se,36.0,A2B2CD_hP36_176_2h_2h_h_h:Dy-F-O-Se +mp-561326,LuSeO3F,-6.9896321933,-2.8615643435,0.0016022167,-0.1118755096,GGA,P-1,ABC3D_aP12_2_i_i_3i_i:F-Lu-O-Se,12.0,"Invalid WP multiplicities - ABC3D_aP12_2_i_i_6i_i:F-Lu-O-Se, expected LuSeO6F to be LuSeO3F" +mp-1095437,LuSeO3F,-6.99123441,-2.8631665602,0.0,-0.1134777263,GGA,P2_1/m,ABC3D_mP12_11_e_e_ef_e:F-Lu-O-Se,12.0,ABC3D_mP12_11_e_e_ef_e:F-Lu-O-Se +mp-555022,LuSeO3F,-6.9523030542,-2.8242352043,0.0389313558,-0.0745463704,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-Lu-O-Se,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_10e_e:F-Lu-O-Se, expected LuSeO10F to be LuSeO3F" +mp-1210620,LuSeF,-6.4315291892,-3.1220822008,0.0418145542,0.0418145542,GGA,P6_3/mmc,ABC_hP12_194_bc_ad_f:F-Lu-Se,12.0,ABC_hP12_194_bc_ad_f:F-Lu-Se +mp-1210775,LuOF,-8.1374252975,-4.3443858979,0.0,-0.0330840784,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-Lu-O,12.0,ABC_mP12_14_e_e_e:F-Lu-O +mp-17673,Lu3O2F5,-7.705894251,-4.404531869,0.0,-0.0165371365,GGA,Pnma,A5B3C2_oP40_62_c2d_cd_d:F-Lu-O,40.0,"Invalid WP multiplicities - A5B3C2_oP40_62_3c9d_4c4d_d:F-Lu-O, expected Lu12O2F21 to be Lu3O2F5" +mp-1202632,Tm4BClO7,-8.4665670275,-3.7697907888,0.0,-0.0138655694,GGA,P2_1/c,ABC7D4_mP52_14_e_e_7e_4e:B-Cl-O-Tm,52.0,ABC7D4_mP52_14_e_e_7e_4e:B-Cl-O-Tm +mp-2646996,La2NiO3F2,-7.6638931812,-3.3744963114,0.1235563031,0.1235563031,GGA+U,Cccm,A2B2CD3_oC32_66_l_l_e_ag:F-La-Ni-O,32.0,A2B2CD3_oC32_66_l_l_e_ag:F-La-Ni-O +mp-1195538,K2ScP2Se7,-4.7374110977,-1.083140068,0.0,-0.0208475656,GGA,C2/c,A2B2CD7_mC96_15_2f_2f_f_7f:K-P-Sc-Se,48.0,A2B2CD7_mC96_15_2f_2f_f_7f:K-P-Sc-Se +mp-1202277,CeAg(PO3)4,-7.6825894515,-2.6948605782,0.0241036871,0.0241036871,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ag-Ce-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Ag-Ce-O-P +mp-753354,Eu4O3F7,-8.4322003007,-3.4858841503,0.0603020299,0.0603020299,GGA,P2,A4B7C3_mP14_3_2e_abc2e_acd:Eu-F-O,14.0,"Invalid WP multiplicities - A4B7C3_mP14_3_3e_abc2e_abd:Eu-F-O, expected Eu6O3F7 to be Eu4O3F7" +mp-22338,EuOF,-9.2746978667,-3.5696413738,0.0,-0.1057099096,GGA,R-3m,ABC_hR18_166_c_c_c:Eu-F-O,6.0,ABC_hR18_166_c_c_c:Eu-F-O +mp-582540,EuMoO4F,-8.7795816675,-2.6651694214,0.0,-0.0143997501,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Eu-F-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:Eu-F-Mo-O, expected EuMoO13F to be EuMoO4F" +mp-559730,KGa(Te3O7)2,-5.8402463807,-1.6469749131,0.0004492638,0.0004492638,GGA,Pa-3,ABC14D6_cP88_205_a_b_c2d_d:Ga-K-O-Te,88.0,"Invalid WP multiplicities - ABC14D6_cP88_205_a_b_7c31d_d:Ga-K-O-Te, expected KGa(Te3O100)2 to be KGa(Te3O7)2" +mp-1196955,K3GaTe2O11,-5.4217619232,-1.4770866012,0.1430578327,0.1430578327,GGA,P-1,AB3C11D2_aP34_2_i_3i_11i_2i:Ga-K-O-Te,34.0,AB3C11D2_aP34_2_i_3i_11i_2i:Ga-K-O-Te +mp-17965,KGaTe2,-3.5149489625,-0.9086722735,0.0,-0.052241769,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Ga-K-Te,32.0,ABC2_mC64_15_2f_2f_2e3f:Ga-K-Te +mp-1097013,KGaTe2,-3.4893079863,-0.8830312972000001,0.0256409762,-0.0266007927,GGA,I-42d,ABC2_tI16_122_a_b_d:Ga-K-Te,8.0,ABC2_tI16_122_a_b_d:Ga-K-Te +mp-541688,K3GaTe3,-3.3129050096,-1.0573035034,0.0,-0.0389087968,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ga-K-Te,28.0,AB3C3_mP28_14_e_3e_3e:Ga-K-Te +mp-776823,La2Nb2N2O5,-9.3526994391,-2.8544214667,0.0582395658,0.0582395658,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-788090,La2Nb2N2O5,-4.3124402852,2.1858376872,5.0984987197,5.0984987197,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-856200,La2Nb2N2O5,-4.2519127827,2.2463651897,5.1590262222,5.1590262222,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-849727,La2Nb2N2O5,-9.3499687641,-2.8516907917000003,0.0609702408,0.0609702408,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-849661,La2Nb2N2O5,-9.3611034945,-2.8628255222,0.0498355104,0.0498355104,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-778375,La2Nb2N2O5,-9.362813855,-2.8645358826,0.0481251499,0.0481251499,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:La-N-Nb-O +mp-775911,La2Nb2N2O5,-9.3383448768,-2.8400669044,0.0725941281,0.0725941281,GGA,C2,A2B2C2D5_mC44_5_2c_2ac_2c_a3b3c:La-N-Nb-O,22.0,"Invalid WP multiplicities - A2B2C2D5_mC44_5_3c_2a2c_3c_a3b6c:La-N-Nb-O, expected La3Nb3N3O8 to be La2Nb2N2O5" +mp-775975,La2Nb2N2O5,-9.3380423036,-2.8397643313,0.0728967013,0.0728967013,GGA,Cm,A2B2C2D5_mC44_8_4a_4a_4a_10a:La-N-Nb-O,22.0,A2B2C2D5_mC44_8_4a_4a_4a_10a:La-N-Nb-O +mp-775929,La2Nb2N2O5,-9.3549563968,-2.8566784244,0.0559826081,0.0559826081,GGA,Cmc2_1,A2B2C2D5_oC44_36_2a_2a_2a_5a:La-N-Nb-O,22.0,"Invalid WP multiplicities - A2B2C2D5_oC44_36_3a_4a_3a_10a:La-N-Nb-O, expected La3Nb3(N2O5)2 to be La2Nb2N2O5" +mp-10558,La3(NbN3)2,-9.2249299855,-1.4949662632,0.0,-0.1931437696,GGA,I4/mmm,A3B6C2_tI22_139_ae_eg_e:La-N-Nb,11.0,A3B6C2_tI22_139_ae_eg_e:La-N-Nb +mp-1112360,K2TiHgF6,-5.236802604,-3.0479181959,0.1385573205,0.1385573205,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ti +mp-1212988,DyAg(WO4)2,-8.4569762813,-2.3795501985,0.0,-0.0001958512,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Dy-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Dy-O-W +mp-1208042,TmAg(WO4)2,-8.4478711054,-2.3813576407,0.0086769843,0.0086769843,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Tm-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Tm-W +mp-680371,RbPuP2S7,-6.1248692057,-1.1221304344,0.0,-0.050590747,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:P-Pu-Rb-S,44.0,"Invalid WP multiplicities - A2BCD7_mP44_14_5e_e_e_25e:P-Pu-Rb-S, expected RbPu(PS5)5 to be RbPuP2S7" +mp-1078269,Sr2UCu2S5,-5.952101033,-1.5969950739,0.0,-0.0093857721,GGA,C2/m,A2B5C2D_mC20_12_i_a2i_i_d:Cu-S-Sr-U,10.0,A2B5C2D_mC20_12_i_a2i_i_d:Cu-S-Sr-U +mp-674944,SrUS2,-6.7279437719,-1.4144929726,0.5949976056,0.5949976056,GGA,I-42d,A2BC_tI32_122_e_d_d:S-Sr-U,16.0,A2BC_tI32_122_e_d_d:S-Sr-U +mp-1195141,SrU2S5,-7.5386803509,-1.91936,0.0,-0.0415646734,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:S-Sr-U,32.0,A5BC2_mP32_14_5e_e_2e:S-Sr-U +mp-1208693,SrU2S5,-7.3596037013,-1.7402833503,0.1790766497,0.1375119763,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:S-Sr-U,32.0,A5BC2_oP32_62_3cd_c_d:S-Sr-U +mp-624486,K2Sn(GeO3)3,-6.4271045353,-2.1191277543,0.0387031312,0.0387031312,GGA,P-3c1,A3B2C9D_hP90_165_fg_g_f4g_bd:Ge-K-O-Sn,90.0,"Invalid WP multiplicities - A3B2C9D_hP90_165_4f4g_g_6f36g_bd:Ge-K-O-Sn, expected K2Sn(Ge2O13)6 to be K2Sn(GeO3)3" +mp-10069,Ce(P3Ru)4,-7.0365127406,-0.6841404232,0.0,-0.0302607046,GGA,Im-3,AB12C4_cI34_204_a_g_c:Ce-P-Ru,17.0,AB12C4_cI34_204_a_g_c:Ce-P-Ru +mp-1080729,CePRu2C,-8.471213336,-0.6464408892,0.0,-0.0028457678,GGA,Cmcm,ABCD2_oC20_63_a_c_c_f:C-Ce-P-Ru,10.0,ABCD2_oC20_63_a_c_c_f:C-Ce-P-Ru +mp-1203369,Ce5P12Ru19,-8.4091514314,-0.8858535393,0.0,-0.1063270097,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Ce-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:Ce-P-Ru +mp-574244,Ce(PRu)2,-8.085914706,-1.0242148563,0.0,-0.0382120328,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ce-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Ce-P-Ru +mp-679947,Os(CO)4,-8.501721035,-0.9540783411,0.2261509467,0.2261509467,GGA,P-1,A4B4C_aP72_2_16i_16i_4i:C-O-Os,72.0,"Invalid WP multiplicities - A4B4C_aP72_2_31i_29i_6i:C-O-Os, expected Os6C31O29 to be Os(CO)4" +mp-640748,Os(CO)4,-8.5137965094,-0.9661538155,0.2140754723,0.2140754723,GGA,P2_1/c,A4B4C_mP108_14_12e_12e_3e:C-O-Os,108.0,"Invalid WP multiplicities - A4B4C_mP108_14_43e_44e_8e:C-O-Os, expected Os8C43O44 to be Os(CO)4" +mp-728935,Os(CO)4,-8.2993478462,-0.7517051523,0.4285241355,0.4285241355,GGA,P2_1/c,A4B4C_mP108_14_12e_12e_3e:C-O-Os,108.0,A4B4C_mP108_14_12e_12e_3e:C-O-Os +mp-648157,Os6C19O20,-8.5466028984,-0.9545446059,0.2256846818,0.2256846818,GGA,Pnma,A19B20C6_oP180_62_5c7d_6c7d_2c2d:C-O-Os,180.0,"Invalid WP multiplicities - A19B20C6_oP180_62_20c48d_22c51d_6c15d:C-O-Os, expected Os9C29O31 to be Os6C19O20" +mp-28636,Os2(CO)7,-8.5418403064,-0.9367019135,0.2250862916,0.2250862916,GGA,C2/c,A7B7C2_mC128_15_7f_7f_2f:C-O-Os,64.0,A7B7C2_mC128_15_7f_7f_2f:C-O-Os +mp-647725,Os5C17O16,-8.5808716037,-0.8921566063,0.2259553505,0.2259553505,GGA,P-1,A17B16C5_aP152_2_34i_32i_10i:C-O-Os,152.0,"Invalid WP multiplicities - A17B16C5_aP152_2_67i_63i_19i:C-O-Os, expected Os19C67O63 to be Os5C17O16" +mp-680286,Os5(CO)19,-8.5158024117,-0.9467659694,0.2266015202,0.2266015202,GGA,P-1,A19B19C5_aP86_2_19i_19i_5i:C-O-Os,86.0,"Invalid WP multiplicities - A19B19C5_aP86_2_37i_37i_10i:C-O-Os, expected Os10(CO)37 to be Os5(CO)19" +mp-1199357,Os3(CO)10,-8.4581845483,-0.8305478384,0.324024291,0.324024291,GGA,P-1,A10B10C3_aP46_2_10i_10i_3i:C-O-Os,46.0,A10B10C3_aP46_2_10i_10i_3i:C-O-Os +mp-726426,Os3C10O11,-8.4633574234,-0.9474268802,0.2696845729,0.2696845729,GGA,P2_1/c,A10B11C3_mP96_14_10e_11e_3e:C-O-Os,96.0,A10B11C3_mP96_14_10e_11e_3e:C-O-Os +mp-728279,Os5Pd(CO)16,-8.3522115675,-0.7700435091000001,0.3480684478,0.3480684478,GGA,Pna2_1,A16B16C5D_oP152_33_16a_16a_5a_a:C-O-Os-Pd,152.0,A16B16C5D_oP152_33_16a_16a_5a_a:C-O-Os-Pd +mp-733789,Os5(CO)16,-8.5354762835,-0.8883815697,0.2599496292,0.2599496292,GGA,P-1,A16B16C5_aP74_2_16i_16i_5i:C-O-Os,74.0,A16B16C5_aP74_2_16i_16i_5i:C-O-Os +mp-680248,Os5(CO)16,-8.573096018,-0.9260013042,0.2223298947,0.2223298947,GGA,P3_121,A16B16C5_hP111_152_8c_8c_a2c:C-O-Os,111.0,"Invalid WP multiplicities - A16B16C5_hP111_152_42c_42c_2a7c:C-O-Os, expected Os4(CO)21 to be Os5(CO)16" +mp-7958,KLaO2,-6.99538762,-3.0104417514,0.0,-0.1205192117,GGA,R-3m,ABC2_hR12_166_a_b_c:K-La-O,4.0,ABC2_hR12_166_a_b_c:K-La-O +mp-1147623,KLaMoO5,-7.9225558481,-2.7193683833,0.0358830056,0.0358830056,GGA+U,P4/nmm,ABCD5_tP16_129_a_b_c_cj:K-La-Mo-O,16.0,ABCD5_tP16_129_a_b_c_cj:K-La-Mo-O +mp-1120766,K2La4O7,-7.56142826,-3.2082246221,0.1347035605,0.1347035605,GGA,P-31m,A2B4C7_hP13_162_c_de_ak:K-La-O,13.0,"Invalid WP multiplicities - A2B4C7_hP13_162_c_de_a2k:K-La-O, expected K2La4O13 to be K2La4O7" +mp-1211443,KLa(MoO4)2,-8.1447002088,-2.5354322119,0.0,-0.0098352874,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:K-La-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:K-La-Mo-O +mp-1209144,RbTb(WO4)2,-8.5973793058,-2.6719901123,0.0,-0.0229597466,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Tb-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Tb-W +mp-559643,Rb2Mn(PS3)2,-5.2454485991,-0.9937769944,0.0,-0.0084354485,GGA,P2_1/c,AB2C2D6_mP22_14_a_e_e_3e:Mn-P-Rb-S,22.0,"Invalid WP multiplicities - AB2C2D6_mP22_14_a_e_e_10e:Mn-P-Rb-S, expected Rb2Mn(PS10)2 to be Rb2Mn(PS3)2" +mp-1232516,MnPS3,-6.098327931,-0.7013944511,0.006663317,0.0007773986,GGA,P-1,ABC3_aP10_2_i_i_3i:Mn-P-S,20.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_4i:Mn-P-S, expected MnPS4 to be MnPS3" +mp-8613,MnPS3,-6.104991248,-0.7080577681,0.0,-0.0058859184,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mn-P-S,10.0,ABC3_mC20_12_g_i_ij:Mn-P-S +mp-21413,RbMnP,-5.57410489,-0.3888209329,0.0220657458,0.0220657458,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-P-Rb,6.0,ABC_tP6_129_a_c_c:Mn-P-Rb +mp-1209509,Rb2MnP2,-3.534785524,0.8551521661,1.2458772567,1.2458772567,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-P-Rb,5.0,AB2C2_tP5_123_a_g_g:Mn-P-Rb +mp-1106078,Gd(BRh)4,-8.372370485,-0.5667126180000001,0.0023992314,0.0023992314,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Gd-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Gd-Rh +mp-22117,GdB2Rh3,-8.9452527717,-0.6906145397,0.0,-0.0166177932,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Gd-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Gd-Rh +mp-29821,Gd4B3C4,-10.7092964918,-0.4131759243,0.0,-0.022526982,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:B-C-Gd,11.0,A3B4C4_aP11_2_ai_2i_2i:B-C-Gd +mp-1071879,GdBC,-9.9873629683,0.0073635328,0.4454025261,0.4454025261,GGA,Cmmm,ABC_oC12_65_g_g_h:B-C-Gd,6.0,ABC_oC12_65_g_g_h:B-C-Gd +mp-1190934,Gd8Rh5C12,-10.7816370216,-0.3746568944,0.0151530785,0.0151530785,GGA,C2/m,A12B8C5_mC50_12_6i_4i_a2i:C-Gd-Rh,25.0,A12B8C5_mC50_12_6i_4i_a2i:C-Gd-Rh +mp-20182,GdRh3C,-9.540689496,-0.4611472275,0.0,-0.0208295178,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Gd-Rh,5.0,ABC3_cP5_221_b_a_c:C-Gd-Rh +mp-1080176,Gd(BC)2,-9.619938078,-0.4414907247,0.0,-0.0547939239,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Gd,10.0,A2B2C_tP10_127_g_g_b:B-C-Gd +mp-1078898,Gd(BC)2,-9.485833567,-0.3073862137,0.134104511,0.0793105871,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Gd,10.0,A2B2C_tP10_131_j_l_f:B-C-Gd +mp-28702,Gd2B3C2,-9.9982167843,-0.4771095304,0.0,-0.0109827825,GGA,Cmmm,A3B2C2_oC14_65_ag_g_h:B-C-Gd,7.0,A3B2C2_oC14_65_ag_g_h:B-C-Gd +mp-19756,GdB2Rh2C,-9.1551165067,-0.5897520043000001,0.0,-0.0037772147,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Gd-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Gd-Rh +mp-19840,GdBRh3,-9.325653486,-0.7559659618,0.0,-0.1214383832,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Gd-Rh,5.0,ABC3_cP5_221_b_a_c:B-Gd-Rh +mp-12194,K2Zn2(MoO4)3,-7.1323777437,-2.0461935343,0.0,-0.0081305361,GGA+U,P2_1/c,A2B3C12D2_mP76_14_2e_3e_12e_2e:K-Mo-O-Zn,76.0,"Invalid WP multiplicities - A2B3C12D2_mP76_14_2e_3e_15e_2e:K-Mo-O-Zn, expected K2Zn2(MoO5)3 to be K2Zn2(MoO4)3" +mp-649080,Ti2SCl12,-4.3914599027,-1.5841349813,0.0160790844,0.0160790844,GGA,R-3,A12BC2_hR270_148_12f_f_2f:Cl-S-Ti,90.0,"Invalid WP multiplicities - A12BC2_hR270_148_65f_f_6f:Cl-S-Ti, expected Ti6SCl65 to be Ti2SCl12" +mp-1246183,Ti4S3N2,-8.3673281844,-1.6268495714,0.1644988794,0.1644988794,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Ti,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Ti +mp-1245927,Ti2SN2,-8.89897651,-1.57889176,0.0437651533,0.0437651533,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-S-Ti,5.0,A2BC2_hP5_164_d_a_d:N-S-Ti +mp-1013900,TiSCl,-6.493267615,-1.8664414338,0.0024216778,0.0024216778,GGA,Pmmn,ABC_oP6_59_a_a_b:Cl-S-Ti,6.0,ABC_oP6_59_a_a_b:Cl-S-Ti +mp-1217155,Ti4S8N,-6.7285175946,-1.1123589849,0.3767233823,0.3767233823,GGA,Pm,AB8C4_mP13_6_a_4a4b_2a2b:N-S-Ti,13.0,AB8C4_mP13_6_a_4a4b_2a2b:N-S-Ti +mp-554353,TiS4(NCl)5,-5.4843567412,-0.4599267806,0.2970020205,0.2970020205,GGA,P2_1/c,A5B5C4D_mP60_14_5e_5e_4e_e:Cl-N-S-Ti,60.0,"Invalid WP multiplicities - A5B5C4D_mP60_14_18e_17e_11e_e:Cl-N-S-Ti, expected TiS11N17Cl18 to be TiS4(NCl)5" +mp-560840,TiS4(NCl)4,-5.5874430115,-0.5734877943000001,0.2269653152,0.2269653152,GGA,P2_1/c,A4B4C4D_mP52_14_4e_4e_4e_e:Cl-N-S-Ti,52.0,"Invalid WP multiplicities - A4B4C4D_mP52_14_13e_13e_12e_e:Cl-N-S-Ti, expected TiS12(NCl)13 to be TiS4(NCl)4" +mp-1063927,TiS2N,-6.12052144,0.0057002289,1.2168363408,1.2168363408,GGA,R3m,AB2C_hR12_160_a_2a_a:N-S-Ti,4.0,AB2C_hR12_160_a_2a_a:N-S-Ti +mp-1207720,Y(ClO4)3,-5.4234399791,-0.9626683773,0.0,-0.0859497672,GGA,P6_3/m,A3B12C_hP32_176_h_2hi_c:Cl-O-Y,32.0,A3B12C_hP32_176_h_2hi_c:Cl-O-Y +mp-1208568,Y2ClO4,-6.7733802682,-1.8350611637,1.1565375752,1.1565375752,GGA,Pmma,AB4C2_oP28_51_i_4i_2i:Cl-O-Y,28.0,AB4C2_oP28_51_i_4i_2i:Cl-O-Y +mp-1206162,Y2Cl2O,-5.807280976,-1.4919401244,1.3607310852,1.3607310852,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-O-Y,5.0,A2BC2_tP5_123_g_a_g:Cl-O-Y +mp-558883,Y3Si2ClO8,-8.7575073184,-3.6380719077,0.0078102313,0.0078102313,GGA,Pnma,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Si-Y,56.0,"Invalid WP multiplicities - AB8C2D3_oP56_62_c_25d_d_2c3d:Cl-O-Si-Y, expected Y8Si2ClO50 to be Y3Si2ClO8" +mp-1207741,Y2ClO2,-6.042016386,-1.1070451242,2.3302393205,2.3302393205,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Cl-O-Y,5.0,AB2C2_tP5_123_a_g_g:Cl-O-Y +mp-732177,Y3(ClO3)2,-7.2212609005,-2.4233864525,0.4679616807,0.4679616807,GGA,Pmmn,A2B6C3_oP22_59_e_2a2e_be:Cl-O-Y,22.0,A2B6C3_oP22_59_e_2a2e_be:Cl-O-Y +mp-1079548,YClO2,-6.7641369613,-2.2120406623,0.5038689108000001,0.5038689108000001,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:Cl-O-Y,8.0,AB2C_mP8_11_e_2e_e:Cl-O-Y +mp-1207689,YClO2,-6.6873188056,-2.1352225067,0.5806870664,0.5806870664,GGA,Pnma,AB2C_oP16_62_c_2c_c:Cl-O-Y,16.0,AB2C_oP16_62_c_2c_c:Cl-O-Y +mp-557092,Y3Si2Cl5O6,-7.5428452609,-3.2195412005,0.0187943487,0.0187943487,GGA,C2/m,A5B6C2D3_mC64_12_3ij_gi2j_j_ej:Cl-O-Si-Y,32.0,"Invalid WP multiplicities - A5B6C2D3_mC64_12_6i3j_2g2i6j_j_2f2j:Cl-O-Si-Y, expected Y3Si(Cl3O4)2 to be Y3Si2Cl5O6" +mp-614918,YClO,-7.211982355,-2.7914168601,0.73089974,0.6346542482,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-O-Y,6.0,ABC_tP6_129_a_c_c:Cl-O-Y +mp-27985,YClO,-7.8961105083,-3.4755450135,0.0467715867,-0.0494739051,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-O-Y,6.0,ABC_tP6_129_c_a_c:Cl-O-Y +mp-552120,YClO,-7.942882095,-3.5223166001,0.0,-0.0962454918,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-O-Y,6.0,ABC_hR18_166_c_c_c:Cl-O-Y +mp-1207823,Y(ClO2)3,-4.8904631645,-0.7212418284000001,0.5977040087000001,0.5977040087000001,GGA,P2/c,A3B6C_mP20_13_eg_3g_f:Cl-O-Y,20.0,A3B6C_mP20_13_eg_3g_f:Cl-O-Y +mp-1112152,K2HgMoF6,-4.925246262,-2.4413460446,0.168411335,0.168411335,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Mo,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Mo +mp-1214913,Ba2YbV3O11,-7.9406879094,-2.8205201333,0.0134663878,0.0134663878,GGA+U,P2_1/c,A2B11C3D_mP68_14_2e_11e_3e_e:Ba-O-V-Yb,,A2B11C3D_mP68_14_2e_11e_3e_e:Ba-O-V-Yb +mp-1250155,Sr4Ta3PO14,-8.6376054932,-3.3195031674,0.1269569902,0.1269569902,GGA,Cm,A14BC4D3_mC44_8_14a_a_4a_3a:O-P-Sr-Ta,22.0,A14BC4D3_mC44_8_14a_a_4a_3a:O-P-Sr-Ta +mp-1198597,Pr2Ni22C3,-6.1959278244,-0.1066383819,0.0093500399,0.0093500399,GGA,Cmce,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Pr,108.0,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Pr +mp-1102902,Pr2Ni5B4,-6.3800371482,-0.454576967,0.0,-0.0095567682,GGA,C2/m,A4B5C2_mC22_12_2i_aj_i:B-Ni-Pr,11.0,A4B5C2_mC22_12_2i_aj_i:B-Ni-Pr +mp-1188184,Pr3Ni13B2,-6.062134345,-0.3486189202,0.0064869689,0.0064869689,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Pr,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Pr +mp-9312,PrNiC2,-7.4892554575,-0.2346621025,0.0,-0.0803176031,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Pr,4.0,A2BC_oC8_38_d_a_b:C-Ni-Pr +mp-1101772,PrNi4B,-6.1656459,-0.402171859,0.0,-0.0313040203,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Pr,12.0,AB4C_hP12_191_c_di_ab:B-Ni-Pr +mp-1209651,Pr2NiB10,-6.8412092746,-0.523065744,0.0,-0.0263138619,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Ni-Pr,26.0,A10BC2_oP26_55_3gi_a_h:B-Ni-Pr +mp-1201639,Pr(Ni2B)6,-6.405782985,-0.3942621145,0.0,-0.0612859528,GGA,Cmc2_1,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Pr,38.0,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Pr +mp-6140,PrNi2B2C,-6.920831385,-0.4327266935,0.0,-0.0227392997,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Pr,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Pr +mp-861608,PrNiB4,-6.7256197325,-0.5125181461,0.0,-0.0049939074,GGA,I4/mmm,A4BC_tI48_139_lm_i_de:B-Ni-Pr,24.0,A4BC_tI48_139_lm_i_de:B-Ni-Pr +mp-1183449,BeVO3,-7.243470252,-1.7107932383,1.019277878,1.019277878,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-V,5.0,AB3C_cP5_221_b_c_a:Be-O-V +mp-1047935,Be3V2(SiO4)3,-8.1558953196,-2.9047818516,0.1324620863,0.1324620863,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Be-O-Si-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_4e_17e_3e_2e:Be-O-Si-V, expected Be4V2Si3O17 to be Be3V2(SiO4)3" +mp-1111941,K2NiAuF6,-4.489098165,-2.2147291271,0.1361174047,0.1361174047,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ni,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ni +mp-1205681,K2NaPdF6,-4.521487545,-2.5022796648,0.007354204,0.007354204,GGA,I4/mmm,A6B2CD_tI20_139_eh_d_a_b:F-K-Na-Pd,10.0,A6B2CD_tI20_139_eh_d_a_b:F-K-Na-Pd +mp-1111627,K2NaPdF6,-4.511160859,-2.4919529788,0.01768089,0.01768089,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Pd,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Pd +mp-1111008,KNa2PdF6,-4.307090842,-2.2666703271,0.224795,0.224795,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Pd,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Pd +mp-1026557,BaMg14W,-2.0887682863,0.2412958306,0.2804682197,0.2804682197,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-W, expected BaMg18W to be BaMg14W" +mp-1026513,BaMg14W,-2.0857531781,0.2443109388,0.2834833278,0.2834833278,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-W, expected BaMg26W to be BaMg14W" +mp-1388958,MgWF4,-6.324145605,-2.62342458,0.4719362117,0.4719362117,GGA+U,Ibam,A4BC_oI24_72_k_a_d:F-Mg-W,12.0,A4BC_oI24_72_k_a_d:F-Mg-W +mp-1407403,MgWF6,-6.4604215975,-3.2070110869,0.0,-0.1275179694,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mg-W,8.0,A6BC_hR24_148_f_a_b:F-Mg-W +mp-1047900,BaMgWF7,-6.4107576658,-3.4249838665,0.0356240402,0.0356240402,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-W,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-W, expected BaMgWF23 to be BaMgWF7" +mp-1340297,MgWF5,-6.4931254446,-3.0480104279,0.1111505325,0.1111505325,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-W,28.0,A5BC_mP28_14_5e_e_e:F-Mg-W +mp-1387656,MgWF5,-6.4979491750000005,-3.0528341582,0.1063268021,0.1063268021,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-W,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_c:F-Mg-W, expected MgWF7 to be MgWF5" +mp-1016551,BaMg6W,-2.5664334044,0.4934147794,0.5486528681,0.5486528681,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-W, expected BaMg12W to be BaMg6W" +mp-1016559,BaMg6W,-2.7005084012,0.3593397825,0.4145778712,0.4145778712,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ba-Mg-W,8.0,AB6C_tP8_123_a_fk_c:Ba-Mg-W +mp-1201448,Cs6Hf5(O2F13)2,-6.3346394178,-3.2945524085,0.1926110837,0.1926110837,GGA,C2/m,A6B26C5D4_mC82_12_3i_3i5j_a2i_2i:Cs-F-Hf-O,41.0,A6B26C5D4_mC82_12_3i_3i5j_a2i_2i:Cs-F-Hf-O +mp-13948,Cs2HfF6,-6.3464000678,-3.7667481145,0.0,-0.2105160941,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Hf,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Hf +mp-648788,Te7OsO5F32,-4.7430554407,-2.0956936807,0.2020772807,0.2020772807,GGA,P-1,A32B5CD7_aP90_2_32i_5i_i_7i:F-O-Os-Te,90.0,"Invalid WP multiplicities - A32B5CD7_aP90_2_61i_10i_i_14i:F-O-Os-Te, expected Te14OsO10F61 to be Te7OsO5F32" +mp-1205467,Te7OsO5F32,-4.9112321726,-2.2638704126,0.0339005488,0.0339005488,GGA,P-1,A32B5CD7_aP90_2_32i_5i_i_7i:F-O-Os-Te,90.0,A32B5CD7_aP90_2_32i_5i_i_7i:F-O-Os-Te +mp-557958,Cs2KNiF6,-4.620527062,-2.6055056444,0.002188842,0.002188842,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ni,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ni +mp-866664,K8Zr6BBr20,-4.7244343511,-1.9270242447,0.0,-0.0777020414,GGA,Fm-3m,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-K-Zr,35.0,AB20C8D6_cF140_225_a_ceh_f_e:B-Br-K-Zr +mp-13975,Er2SeO2,-8.01310043,-3.508155126,0.0,-0.0836522258,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Er-O-Se,5.0,A2B2C_hP5_164_d_d_a:Er-O-Se +mp-1225234,Er2(SeO4)3,-6.4174421424,-1.7713576372,0.1663594008,0.1663594008,GGA,C2,A2B12C3_mC34_5_c_6c_ac:Er-O-Se,17.0,A2B12C3_mC34_5_c_6c_ac:Er-O-Se +mp-1237904,Er2(SeO4)3,-6.3151274,-1.6690428948,0.2686741432,0.2686741432,GGA,C2,A2B12C3_mC34_5_c_6c_ac:Er-O-Se,17.0,A2B12C3_mC34_5_c_6c_ac:Er-O-Se +mp-1213595,ErSe2NO11,-5.908684314,-0.9547101464,0.4364612138,0.4364612138,GGA,P-1,ABC11D2_aP30_2_i_i_11i_2i:Er-N-O-Se,30.0,ABC11D2_aP30_2_i_i_11i_2i:Er-N-O-Se +mp-31352,Er2(SeO3)3,-6.9346114357,-2.3529421176,0.0,-0.1612125964,GGA,P-1,A2B9C3_aP28_2_2i_9i_3i:Er-O-Se,28.0,A2B9C3_aP28_2_2i_9i_3i:Er-O-Se +mp-1195548,K2Th(AsO4)2,-7.0387849306,-2.5367539580000003,0.0,-0.0338301688,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:As-K-O-Th,52.0,A2B2C8D_mP52_14_2e_2e_8e_e:As-K-O-Th +mp-1077381,Eu2BBrN2,-9.19382979,-1.6239275315,0.0,-0.141354454,GGA,R-3m,ABC2D2_hR18_166_a_b_c_c:B-Br-Eu-N,6.0,ABC2D2_hR18_166_a_b_c_c:B-Br-Eu-N +mp-1111955,K2MnHgF6,-4.924783195,-2.6092464594,0.0376291061,0.0376291061,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Mn,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Mn +mp-680836,Ta4Te9I4O,-5.6695597067,-0.8606142805,0.0208640928,0.0208640928,GGA,C2/c,A4BC4D9_mC72_15_2f_e_2f_e4f:I-O-Ta-Te,36.0,"Invalid WP multiplicities - A4BC4D9_mC72_15_6f_e_4f_2e15f:I-O-Ta-Te, expected Ta8Te32I12O to be Ta4Te9I4O" +mp-29027,TaI2O,-6.6473852662,-1.7095855059,0.0,-0.0248639042,GGA,C2/m,A2BC_mC16_12_2i_i_i:I-O-Ta,8.0,A2BC_mC16_12_2i_i_i:I-O-Ta +mp-1111125,K2TlSbF6,-4.628259252,-2.6101276434000003,0.1239642743,0.1239642743,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Sb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Sb-Tl +mp-1188623,NaPb2IO6,-5.3738385520000005,-1.3837067469,0.0,-0.0152767973,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:I-Na-O-Pb,20.0,ABC6D2_mP20_14_a_d_3e_e:I-Na-O-Pb +mp-1080753,NaPb2IO6,-5.333342063,-1.3432102579,0.040496489,0.0252196917,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:I-Na-O-Pb,10.0,ABC6D2_cF40_225_a_b_e_c:I-Na-O-Pb +mp-1200267,LiTiNF6,-5.6867197643,-2.3967438073,0.3935338551,0.3935338551,GGA,Pbcn,A6BCD_oP72_60_6d_d_2c_d:F-Li-N-Ti,72.0,A6BCD_oP72_60_6d_d_2c_d:F-Li-N-Ti +mp-1211870,LiTiNF6,-5.8289630643,-2.5389871073,0.2512905551,0.2512905551,GGA,Pbcn,A6BCD_oP72_60_6d_2c_d_d:F-Li-N-Ti,72.0,A6BCD_oP72_60_6d_2c_d_d:F-Li-N-Ti +mp-729051,LiTiNF6,-5.5120226672,-2.2220467102,0.5682309522,0.5682309522,GGA,Pbcn,A6BCD_oP72_60_6d_d_2c_d:F-Li-N-Ti,72.0,A6BCD_oP72_60_6d_d_2c_d:F-Li-N-Ti +mp-1208194,TiN2F5,-5.2922159725,-1.0264813845,1.2785714184,1.2785714184,GGA,Pnma,A5B2C_oP32_62_c2d_2c_a:F-N-Ti,32.0,A5B2C_oP32_62_c2d_2c_a:F-N-Ti +mp-1101037,TiNF,-6.1848698933,-0.1370479236,2.3481560021,2.3481560021,GGA,Cc,ABC_mC12_9_a_a_a:F-N-Ti,6.0,ABC_mC12_9_a_a_a:F-N-Ti +mp-1071956,TiNF,-8.510568256700001,-2.4627462869,0.0224576387,0.0224576387,GGA,Pmmn,ABC_oP6_59_a_a_b:F-N-Ti,6.0,ABC_oP6_59_a_a_b:F-N-Ti +mp-1216730,TiNF,-8.38530153,-2.3374795603000003,0.1477243654,0.1477243654,GGA,I4_1md,ABC_tI12_109_a_a_a:F-N-Ti,6.0,ABC_tI12_109_a_a_a:F-N-Ti +mp-1179426,TiNF5,-5.9731791626,-2.2889817656,0.3453642949,0.3453642949,GGA,P2_1/c,A5BC_mP112_14_20e_4e_4e:F-N-Ti,112.0,A5BC_mP112_14_20e_4e_4e:F-N-Ti +mp-1080110,Ti(NF2)3,-4.811919596,-0.3745345363,1.469507706,1.469507706,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-N-Ti,10.0,A6B3C_cF40_225_e_ac_b:F-N-Ti +mp-974734,KInO3,-5.021622034,-1.2811922718,0.2916370473,0.2916370473,GGA,Pm-3m,ABC3_cP5_221_b_a_c:In-K-O,5.0,ABC3_cP5_221_b_a_c:In-K-O +mp-1018031,KInO2,-5.357643565,-1.9187785401,0.0,-0.1071673544,GGA,R-3m,ABC2_hR12_166_a_b_c:In-K-O,4.0,ABC2_hR12_166_a_b_c:In-K-O +mp-667326,K5InO4,-4.3832560367,-1.5742127057,0.0,-0.0057351799,GGA,P-1,AB5C4_aP160_2_8i_40i_32i:In-K-O,160.0,"Invalid WP multiplicities - AB5C4_aP160_2_14i_78i_61i:In-K-O, expected K78In14O61 to be K5InO4" +mp-1519860,KIn(GeO3)4,-6.0402490972,-1.500556951,0.3909039934,0.3909039934,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Ge-In-K-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Ge-In-K-O, expected KIn(Ge2O9)2 to be KIn(GeO3)4" +mp-554146,K14In4O13,-4.5923816321,-1.6614373281,0.0,-0.0205344608,GGA,P2_1/c,A4B14C13_mP62_14_2e_7e_a6e:In-K-O,62.0,"Invalid WP multiplicities - A4B14C13_mP62_14_7e_26e_2a24e:In-K-O, expected K26In7O25 to be K14In4O13" +mp-556905,GdMg(BO2)5,-8.892310694,-3.0958255024,0.0024475181,0.0024475181,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Gd-Mg-O,68.0,"Invalid WP multiplicities - A5BCD10_mP68_14_17e_e_e_39e:B-Gd-Mg-O, expected GdMgB17O39 to be GdMg(BO2)5" +mp-1225181,DyYMn2O6,-8.956589421,-3.0488473405,0.0,-0.0001978015,GGA+U,P3,AB2C6D_hP30_143_a2b_2d_2a2b2c4d_a2c:Dy-Mn-O-Y,30.0,AB2C6D_hP30_143_a2b_2d_2a2b2c4d_a2c:Dy-Mn-O-Y +mp-18041,SmTl(WO4)2,-8.5438802646,-2.4962969786,0.0,-0.0442264154,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Sm-Tl-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Sm-Tl-W +mp-1182221,Cr2Cu3(OF)12,-5.1418906028,-1.2142448409,0.1954398212,0.1954398212,GGA+U,P1,A2B3C12D12_aP29_1_2a_3a_12a_12a:Cr-Cu-F-O,29.0,A2B3C12D12_aP29_1_2a_3a_12a_12a:Cr-Cu-F-O +mp-1182282,Cr2Cu3(OF)12,-5.1349682303,-1.2073224684,0.2023621936,0.2023621936,GGA+U,P-1,A2B3C12D12_aP29_2_ah_bcd_6i_6i:Cr-Cu-F-O,29.0,A2B3C12D12_aP29_2_ah_bcd_6i_6i:Cr-Cu-F-O +mp-560534,Ba3Er2(PS4)4,-5.5965540928,-1.4874032793,0.0,-0.0257200781,GGA,Pbcn,A3B2C4D16_oP100_60_cd_d_2d_8d:Ba-Er-P-S,100.0,"Invalid WP multiplicities - A3B2C4D16_oP100_60_3c2d_d_11d_60d:Ba-Er-P-S, expected Ba7Er2(P11S60)2 to be Ba3Er2(PS4)4" +mp-556279,K2Ni2(MoO4)3,-7.5054528482,-1.9434377893,0.0,-0.0105538838,GGA+U,P2_1/c,A2B3C2D12_mP76_14_2e_3e_2e_12e:K-Mo-Ni-O,76.0,"Invalid WP multiplicities - A2B3C2D12_mP76_14_7e_9e_4e_47e:K-Mo-Ni-O, expected K7Ni4Mo9O47 to be K2Ni2(MoO4)3" +mp-554864,K2Ni(MoO4)2,-7.3463138706,-2.0181796795,0.0,-0.0027183944,GGA+U,Cmce,A2B2CD8_oC104_64_ef_2f_d_4f2g:K-Mo-Ni-O,52.0,"Invalid WP multiplicities - A2B2CD8_oC104_64_3e3f_6f_d_15f15g:K-Mo-Ni-O, expected K6Ni(Mo2O15)3 to be K2Ni(MoO4)2" +mp-1212023,K2MnAs2,-3.587801994,0.5524080052,0.9152349404,0.9152349404,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:As-K-Mn,5.0,A2B2C_tP5_123_g_g_a:As-K-Mn +mp-560965,K4Mn(AsS4)2,-4.7101107588,-0.9758809705,0.034602914,0.034602914,GGA,P2/c,A2B4CD8_mP60_13_2g_2e3g_g_8g:As-K-Mn-S,60.0,"Invalid WP multiplicities - A2B4CD8_mP60_13_5g_4e10g_g_29g:As-K-Mn-S, expected K12MnAs5S29 to be K4Mn(AsS4)2" +mp-21847,KMnAs,-5.2248409867,-0.2476634386,0.0546923407,0.0546923407,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-K-Mn,6.0,ABC_tP6_129_c_c_a:As-K-Mn +mp-541073,SmSI,-5.562572175,-2.119771391,0.0,-0.0412335542,GGA,R-3m,ABC_hR18_166_c_c_c:I-S-Sm,6.0,ABC_hR18_166_c_c_c:I-S-Sm +mp-560356,Sm3Si2S8I,-5.9992074529,-1.7441103279,0.0,-0.01099195,GGA,C2/c,AB8C2D3_mC56_15_e_4f_f_ef:I-S-Si-Sm,28.0,"Invalid WP multiplicities - AB8C2D3_mC56_15_e_13f_f_2e2f:I-S-Si-Sm, expected Sm6Si2S26I to be Sm3Si2S8I" +mp-1212632,La7Cr2BO17,-8.6869361989,-3.3302234383,0.0200472216,0.0200472216,GGA+U,P2_1/c,AB2C7D17_mP108_14_e_2e_7e_17e:B-Cr-La-O,108.0,AB2C7D17_mP108_14_e_2e_7e_17e:B-Cr-La-O +mp-1204149,K4Ge2(Se2O)3,-4.5030664953,-1.2028540622,0.2144423899,0.2144423899,GGA,P2_1/c,A2B4C3D6_mP60_14_2e_4e_3e_6e:Ge-K-O-Se,60.0,A2B4C3D6_mP60_14_2e_4e_3e_6e:Ge-K-O-Se +mp-1194543,K4Ge(SeO)4,-4.4489240269,-1.1539221501,0.4328605427,0.4328605427,GGA,P-1,AB4C4D4_aP26_2_i_4i_4i_4i:Ge-K-O-Se,26.0,AB4C4D4_aP26_2_i_4i_4i_4i:Ge-K-O-Se +mp-1041724,Zn3As4W3O16,-7.0470377706,-1.645610289,0.222648064,0.222648064,GGA+U,P2_1/c,A4B16C3D3_mP52_14_2e_8e_ae_de:As-O-W-Zn,52.0,"Invalid WP multiplicities - A4B16C3D3_mP52_14_5e_29e_ae_be:As-O-W-Zn, expected Zn3As10W3O58 to be Zn3As4W3O16" +mp-1043070,ZnAs2WO7,-7.0011169402,-1.7135777013,0.1662219079,0.1662219079,GGA+U,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:As-O-W-Zn,44.0,A2B7CD_mP44_14_2e_7e_e_e:As-O-W-Zn +mp-1047474,ZnAsWO5,-7.1858560562000005,-1.7345515811,0.1749257078,0.1749257078,GGA+U,P2_1,AB5CD_mP32_4_2a_10a_2a_2a:As-O-W-Zn,32.0,AB5CD_mP32_4_2a_10a_2a_2a:As-O-W-Zn +mp-1213696,CsCoPO4,-7.1131176704,-2.369720882,0.0,-0.0892112965,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Co-Cs-O-P,28.0,ABC4D_mP28_4_2a_2a_8a_2a:Co-Cs-O-P +mp-1203303,CsCoPO4,-7.1129248266,-2.3695280382,0.0001928437,-0.0890184528,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Cs-O-P,56.0,ABC4D_mP56_14_2e_2e_8e_2e:Co-Cs-O-P +mp-1213687,CsCoPO4,-7.111291235,-2.3678944466000003,0.0018264354,-0.0873848612,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Cs-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Co-Cs-O-P +mp-643125,Cs2Co(PO3)4,-7.2449090483,-2.5126670956,0.0143777772,0.0143777772,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Co-Cs-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_6e_45e_12e:Co-Cs-O-P, expected Cs6Co(P4O15)3 to be Cs2Co(PO3)4" +mp-556300,Fe3B7ClO13,-8.2878380023,-2.5244506718,0.0,-0.0708005776,GGA+U,R3c,A7BC3D13_hR144_161_a2b_a_b_a4b:B-Cl-Fe-O,48.0,"Invalid WP multiplicities - A7BC3D13_hR144_161_2a7b_a_b_2a18b:B-Cl-Fe-O, expected Fe3B23ClO56 to be Fe3B7ClO13" +mp-1193946,Mn(NbS2)2,-7.5566595279,-0.9980274079,0.3028148399,0.3028148399,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mn-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Mn-Nb-S +mp-1211179,Mn(NbS2)2,-7.605720361799999,-1.0470882418,0.2537540059,0.2537540059,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mn-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Mn-Nb-S +mp-1025312,Mn(NbS2)2,-7.4386528886,-0.8800207686,0.4208214791,0.4208214791,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Mn-Nb-S,7.0,AB2C4_hP7_164_a_d_2d:Mn-Nb-S +mp-10199,Mn(NbS2)3,-7.7943473215,-1.3658843602,0.0,-0.0242462093,GGA,P6_322,AB3C6_hP20_182_c_af_i:Mn-Nb-S,20.0,AB3C6_hP20_182_c_af_i:Mn-Nb-S +mp-3669,Mn(NbS2)4,-7.734411005,-1.3760391291,0.0,-0.0140113665,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Mn-Nb-S,26.0,"Invalid WP multiplicities - AB4C8_hP26_194_a_b2h_fk:Mn-Nb-S, expected MnNb7S8 to be Mn(NbS2)4" +mp-1221653,MnNb4(CS2)2,-8.6764698464,-0.9882547641,0.0246807419,0.0246807419,GGA,P2/m,A2BC4D4_mP11_10_bd_c_mn_mn:C-Mn-Nb-S,11.0,"Invalid WP multiplicities - A2BC4D4_mP11_10_ce_b_2m2n_2m2n:C-Mn-Nb-S, expected MnNb8(CS4)2 to be MnNb4(CS2)2" +mp-651122,Mn3Bi(CO)15,-7.933839405,-0.7586379914,0.6148411534,0.6148411534,GGA+U,P2_1/c,AB15C3D15_mP136_14_e_15e_3e_15e:Bi-C-Mn-O,136.0,"Invalid WP multiplicities - AB15C3D15_mP136_14_e_56e_8e_58e:Bi-C-Mn-O, expected Mn8Bi(C28O29)2 to be Mn3Bi(CO)15" +mp-5999,Sm2Ti2S2O5,-8.5884330955,-3.2943876779,0.0,-0.0496248672,GGA,I4/mmm,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Sm-Ti,11.0,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Sm-Ti +mp-1219148,Sm4Ti4S4O9,-8.52465236,-3.2140661469,0.0143518114,0.0143518114,GGA,Cm,A9B4C4D4_mC42_8_9a_4a_4a_4a:O-S-Sm-Ti,21.0,A9B4C4D4_mC42_8_9a_4a_4a_4a:O-S-Sm-Ti +mp-1211585,KLiGdF5,-7.1028549909,-3.7712501295,0.0,-0.0108112366,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-Gd-K-Li,32.0,A5BCD_mP32_14_5e_e_e_e:F-Gd-K-Li +mp-642655,K2GdF5,-6.9598129181,-3.7280235467,0.0,-0.0148673991,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:F-Gd-K,32.0,A5BC2_oP32_62_3cd_c_d:F-Gd-K +mp-1211415,KGdF4,-7.7640098342,-3.958603658,0.0,-0.1023211088,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-Gd-K,24.0,A4BC_oP24_62_4c_c_c:F-Gd-K +mp-13229,K3GdF6,-6.45350693,-3.5658876414,0.0037153005,0.0037153005,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:F-Gd-K,20.0,A6BC3_mP20_14_3e_a_be:F-Gd-K +mp-1111874,K2NaRuF6,-5.055896697,-2.6272367438,0.0,-0.0409814177,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ru,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ru +mp-1111006,KNa2RuF6,-4.853747828,-2.4038752401,0.1916464881,0.1916464881,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ru +mp-1207664,YbBeNF6,-5.4672057861,-2.6800513556,0.0223402455,0.0223402455,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Yb,,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Yb +mp-1111007,KNa2RhF6,-4.680926016,-2.4220628951,0.1471315127,0.1471315127,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Rh +mp-14039,K2NaRhF6,-4.878004296,-2.6403538098,0.0,-0.0635648093,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Rh,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Rh +mp-1112021,K2InGaI6,-2.757783384,-1.0737058094,0.1032820627,0.1032820627,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-I-In-K +mp-1111419,K2TlMoF6,-5.385781479,-2.6959849834,0.041906558,0.041906558,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Tl +mp-560959,KTl2MoF6,-5.355332116,-2.5403112005,0.0,-0.0373875235,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Tl +mp-1194946,Na3U6FeF30,-7.0992213405,-3.6609606861,0.3065683728,0.3065683728,GGA+U,P-3c1,A30BC3D6_hP80_165_5g_a_bd_g:F-Fe-Na-U,80.0,A30BC3D6_hP80_165_5g_a_bd_g:F-Fe-Na-U +mp-625208,H8PtO6,-5.355738751,-1.1628671545,0.0482663257,0.0482663257,GGA,P1,A8B6C_aP30_1_16a_12a_2a:H-O-Pt,30.0,A8B6C_aP30_1_16a_12a_2a:H-O-Pt +mp-626835,H8PtO6,-5.3416592323,-1.1487876358,0.0623458443,0.0623458443,GGA,P1,A8B6C_aP30_1_16a_12a_2a:H-O-Pt,30.0,A8B6C_aP30_1_16a_12a_2a:H-O-Pt +mp-625113,H8PtO6,-5.319955337,-1.1270837405,0.0840497397,0.0840497397,GGA,P1,A8B6C_aP30_1_16a_12a_2a:H-O-Pt,30.0,A8B6C_aP30_1_16a_12a_2a:H-O-Pt +mp-625112,H8PtO6,-5.334535194,-1.1416635975,0.0694698827,0.0694698827,GGA,P1,A8B6C_aP30_1_16a_12a_2a:H-O-Pt,30.0,A8B6C_aP30_1_16a_12a_2a:H-O-Pt +mp-625154,H8PtO6,-5.3229473073,-1.1300757108,0.0810577693,0.0810577693,GGA,P1,A8B6C_aP30_1_16a_12a_2a:H-O-Pt,30.0,A8B6C_aP30_1_16a_12a_2a:H-O-Pt +mp-625111,H8PtO6,-5.3343276417,-1.1414560452,0.069677435,0.069677435,GGA,Cc,A8B6C_mC60_9_8a_6a_a:H-O-Pt,30.0,"Invalid WP multiplicities - A8B6C_mC60_9_14a_9a_a:H-O-Pt, expected H14PtO9 to be H8PtO6" +mp-1213994,CaH6PtO6,-5.5494076811,-1.3984632713,0.1498490058,0.1498490058,GGA,P-31c,AB6C6D_hP28_163_c_i_i_b:Ca-H-O-Pt,28.0,AB6C6D_hP28_163_c_i_i_b:Ca-H-O-Pt +mp-1193873,CuHg(NO5)2,-5.4419178382,-0.4031489813,0.2265517269,0.2265517269,GGA,P2_1/c,ABC2D10_mP28_14_a_c_e_5e:Cu-Hg-N-O,28.0,ABC2D10_mP28_14_a_c_e_5e:Cu-Hg-N-O +mp-1232320,Cu(HgN)2,-3.100081688,1.175829762,1.175829762,1.175829762,GGA,I4/mmm,AB2C2_tI10_139_a_d_c:Cu-Hg-N,5.0,AB2C2_tI10_139_a_d_c:Cu-Hg-N +mp-1110835,K2LiSbF6,-4.873394909,-2.9006353284,0.0732838255,0.0732838255,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Sb +mp-555464,KRb2NiF6,-4.630856657,-2.5988088993,0.0137817635,0.0137817635,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Ni-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Ni-Rb +mp-1225684,Er4TaV7B24,-7.7950454178,-0.7388954772,0.0,-0.0099494921,GGA,Pm,A24B4CD7_mP36_6_24b_4a_a_7a:B-Er-Ta-V,36.0,A24B4CD7_mP36_6_24b_4a_a_7a:B-Er-Ta-V +mp-10983,ErVB4,-7.4587967733,-0.7305981128,0.0,-0.0420881758,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-V,24.0,A4BC_oP24_55_4h_g_g:B-Er-V +mp-1217818,TaVB4,-8.6367481283,-0.6935396644,0.0004935067,0.0004935067,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Ta-V,6.0,A4BC_hP6_191_h_a_b:B-Ta-V +mp-1181966,CdIO9,-4.1380733686,0.1270588597,0.6763416364,0.6763416364,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Cd-I-O,44.0,ABC9_mP44_14_e_e_9e:Cd-I-O +mp-27640,Cd(IO3)2,-4.7670311553,-1.03928063,0.0,-0.1355490883,GGA,P2_12_12_1,AB2C6_oP36_19_a_2a_6a:Cd-I-O,36.0,AB2C6_oP36_19_a_2a_6a:Cd-I-O +mp-556578,Cd(IO3)2,-4.7561400514,-1.0283895261,0.0108911039,-0.1246579844,GGA,Pca2_1,AB2C6_oP72_29_2a_4a_12a:Cd-I-O,72.0,"Invalid WP multiplicities - AB2C6_oP72_29_4a_15a_41a:Cd-I-O, expected Cd4I15O41 to be Cd(IO3)2" +mp-1188912,CdI2O7,-4.5471000345,-0.6974556906,0.2378968764,0.2378968764,GGA,P-1,AB2C7_aP20_2_i_2i_7i:Cd-I-O,20.0,AB2C7_aP20_2_i_2i_7i:Cd-I-O +mp-1191056,CdIO4,-4.6313954858,-0.9342269933,0.0727914307,0.0727914307,GGA,Pnma,ABC4_oP24_62_a_c_2cd:Cd-I-O,24.0,ABC4_oP24_62_a_c_2cd:Cd-I-O +mp-752422,IClO,-3.3665830683,-0.6103858279000001,0.0,-0.0186770392,GGA,R-3,ABC_hR54_148_f_f_f:Cl-I-O,18.0,ABC_hR54_148_f_f_f:Cl-I-O +mp-1191962,CdIClO3,-4.3297924421000005,-1.1489826248,0.0044859652,0.0044859652,GGA,Cmce,ABCD3_oC48_64_e_f_f_fg:Cd-Cl-I-O,24.0,ABCD3_oC48_64_e_f_f_fg:Cd-Cl-I-O +mp-731411,CdIO,-3.2317713725,-0.7841230988,0.294509832,0.294509832,GGA,Pbca,ABC_oP24_61_c_c_c:Cd-I-O,24.0,ABC_oP24_61_c_c_c:Cd-I-O +mp-1021667,IClO3,-3.6013898600000003,0.0310039687,0.6243508334,0.6243508334,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cl-I-O,5.0,ABC3_cP5_221_a_b_c:Cl-I-O +mp-732162,I(ClO)4,-3.2988032372,-0.1149956999999999,0.2735948016,0.2735948016,GGA,P2_1/c,A4BC4_mP18_14_2e_a_2e:Cl-I-O,18.0,A4BC4_mP18_14_2e_a_2e:Cl-I-O +mp-541946,K2Th(PSe3)3,-4.853302185,-1.0307843875,0.002222059,-0.0277123646,GGA,P-1,A2B3C9D_aP60_2_4i_6i_18i_2i:K-P-Se-Th,60.0,A2B3C9D_aP60_2_4i_6i_18i_2i:K-P-Se-Th +mp-568203,K2Th(PSe3)3,-4.855524244,-1.0330064465,0.0,-0.0299344236,GGA,P2_1/c,A2B3C9D_mP60_14_2e_3e_9e_e:K-P-Se-Th,60.0,"Invalid WP multiplicities - A2B3C9D_mP60_14_6e_9e_34e_e:K-P-Se-Th, expected K6ThP9Se34 to be K2Th(PSe3)3" +mp-755010,KYbO2,-5.452445515,-2.3165993526,0.1466154138,0.1466154138,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Yb,,AB2C_hR12_166_a_c_b:K-O-Yb +mp-1184953,KYbO3,-5.116595602,-1.6185809299,0.426377906,0.426377906,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Yb,,AB3C_cP5_221_a_c_b:K-O-Yb +mp-1211483,K2YbSbO7,-5.4060838986,-1.5409722266,0.3222293828,0.3222293828,GGA,Imma,A2B7CD_oI44_74_ac_ehj_b_d:K-O-Sb-Yb,,"Invalid WP multiplicities - A2B7CD_oI44_74_ac_2e2hj_b_d:K-O-Sb-Yb, expected K2YbSbO10 to be K2YbSbO7" +mp-1206117,KYb3O6,-3.6515322,-0.1105965945,2.3640224811,2.3640224811,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:K-O-Yb,,AB6C3_oC20_65_a_kp_de:K-O-Yb +mp-758068,K2Yb2O3,-5.4008322714,-2.5236779018,0.0857856029,0.0857856029,GGA,P2_1/c,A2B3C2_mP14_14_e_ae_e:K-O-Yb,,A2B3C2_mP14_14_e_ae_e:K-O-Yb +mp-1226924,Ce3UO8,-9.6605080667,-3.9384924696,0.2972052809,0.2972052809,GGA,R-3m,A3B8C_hR36_166_ac_4c_b:Ce-O-U,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_a2c_7c_b:Ce-O-U, expected Ce5UO14 to be Ce3UO8" +mp-1226883,Ce2U2O9,-9.6800869062,-3.6055333114,0.4660081886,0.4660081886,GGA,I4/mmm,A2B9C2_tI26_139_e_am_c:Ce-O-U,13.0,A2B9C2_tI26_139_e_am_c:Ce-O-U +mp-1226847,Ce4UO10,-9.5580581447,-3.9253478952,0.3200371627,0.3200371627,GGA,I4/mmm,A4B10C_tI30_139_2e_d2g_a:Ce-O-U,15.0,"Invalid WP multiplicities - A4B10C_tI30_139_3e_2d8g_a:Ce-O-U, expected Ce6UO36 to be Ce4UO10" +mp-1226869,Ce4UO10,-9.641950548,-4.0092402985,0.2361447593,0.2361447593,GGA,R-3m,A4B10C_hR45_166_2c_5c_a:Ce-O-U,15.0,"Invalid WP multiplicities - A4B10C_hR45_166_3c_10c_a:Ce-O-U, expected Ce6UO20 to be Ce4UO10" +mp-753493,CeU5O12,-10.5720385317,-3.8081272128,0.0517965597,0.0517965597,GGA,C2/m,AB12C5_mC36_12_a_2i2j_dgh:Ce-O-U,18.0,"Invalid WP multiplicities - AB12C5_mC36_12_a_4i6j_dg2h:Ce-O-U, expected CeU7O32 to be CeU5O12" +mp-773114,Ce2U3O10,-10.2215570147,-3.8744039845,0.1376036592,0.1376036592,GGA,C2/m,A2B10C3_mC30_12_i_h2j_ai:Ce-O-U,15.0,"Invalid WP multiplicities - A2B10C3_mC30_12_i_2h5j_a2i:Ce-O-U, expected Ce2U5O24 to be Ce2U3O10" +mp-674412,Ce8U2O21,-9.9222563413,-4.3116758188,0.0,-0.384486329,GGA,Cmmm,A8B21C2_oC62_65_2g2h_bm2r_ac:Ce-O-U,31.0,"Invalid WP multiplicities - A8B21C2_oC62_65_4g3h_b4m12r_ac:Ce-O-U, expected Ce14U2O113 to be Ce8U2O21" +mp-760470,Ce2UO6,-9.7992316333,-3.9283737903,0.2545525727,0.2545525727,GGA,Immm,A2B6C_oI18_71_e_gn_b:Ce-O-U,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g3n_b:Ce-O-U, expected Ce2UO16 to be Ce2UO6" +mp-1226776,Ce2UO6,-9.8048019233,-3.9339440803,0.2489822827,0.2489822827,GGA,P-3m1,A2B6C_hP9_164_d_c2d_a:Ce-O-U,9.0,"Invalid WP multiplicities - A2B6C_hP9_164_d_2c4d_a:Ce-O-U, expected Ce2UO12 to be Ce2UO6" +mp-1226587,CeU4O10,-10.5188223467,-3.8144479262,0.0672021136,0.0672021136,GGA,R-3m,AB10C4_hR45_166_a_5c_2c:Ce-O-U,15.0,"Invalid WP multiplicities - AB10C4_hR45_166_a_10c_3c:Ce-O-U, expected CeU6O20 to be CeU4O10" +mp-1226476,CeUO4,-10.0634853817,-3.8949430467,0.182243399,0.182243399,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-O-U,6.0,AB4C_tP6_123_a_i_d:Ce-O-U +mp-1226546,CeUO4,-10.075662605,-3.90712027,0.1700661757,0.1700661757,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ce-O-U,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ce-O-U, expected CeUO6 to be CeUO4" +mp-1226554,CeU2O6,-10.3194119556,-3.8531851286,0.1153699805,0.1153699805,GGA,I4/mmm,AB6C2_tI18_139_a_dg_e:Ce-O-U,9.0,"Invalid WP multiplicities - AB6C2_tI18_139_a_2d3g_e:Ce-O-U, expected CeU2O16 to be CeU2O6" +mp-1226535,CeU2O6,-10.3254870022,-3.8592601753,0.1092949338,0.1092949338,GGA,P-3m1,AB6C2_hP9_164_a_c2d_d:Ce-O-U,9.0,"Invalid WP multiplicities - AB6C2_hP9_164_a_2c4d_d:Ce-O-U, expected CeU2O12 to be CeU2O6" +mp-1196136,Gd2Ge(BO4)2,-9.7688949198,-3.1760052608,0.0,-0.0043359967,GGA,Pbcn,A2B2CD8_oP52_60_d_d_c_4d:B-Gd-Ge-O,52.0,A2B2CD8_oP52_60_d_d_c_4d:B-Gd-Ge-O +mp-754883,KHoO2,-7.0248344625,-3.1282881526,0.0,-0.1386627464,GGA,R-3m,ABC2_hR12_166_a_b_c:Ho-K-O,4.0,ABC2_hR12_166_a_b_c:Ho-K-O +mp-1184944,KHoO3,-6.420753736,-2.3141789459,0.2600543666,0.2600543666,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ho-K-O,5.0,ABC3_cP5_221_b_a_c:Ho-K-O +mp-1212043,K2HoSbO7,-6.0112110077,-1.8694811002,0.2505731782,0.2505731782,GGA,Imma,AB2C7D_oI44_74_c_ad_ehj_b:Ho-K-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_c_ad_2e2hj_b:Ho-K-O-Sb, expected K2HoSbO10 to be K2HoSbO7" +mp-555179,GdMoO4F,-9.6260603939,-2.9660595136000003,0.0,-0.0481356408,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:F-Gd-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_10e:F-Gd-Mo-O, expected GdMoO10F to be GdMoO4F" +mp-779592,GdOF,-11.1076389442,-4.1295423046,0.0561904392,-0.1370891869,GGA,Fddd,ABC_oF48_70_c_e_f:F-Gd-O,12.0,ABC_oF48_70_c_e_f:F-Gd-O +mp-754149,GdOF,-11.08303648,-4.1049398404,0.0807929033,-0.1124867228,GGA,P4/nmm,ABC_tP6_129_c_c_a:F-Gd-O,6.0,ABC_tP6_129_c_c_a:F-Gd-O +mp-754349,GdOF,-11.1624837417,-4.1843871021,0.0013456417,-0.1919339844,GGA,P4/nmm,ABC_tP6_129_a_c_b:F-Gd-O,6.0,ABC_tP6_129_a_c_b:F-Gd-O +mp-753721,GdOF,-11.1638293833,-4.1857327438,0.0,-0.1932796261,GGA,R-3m,ABC_hR18_166_c_c_c:F-Gd-O,6.0,ABC_hR18_166_c_c_c:F-Gd-O +mp-867312,KNpCuS3,-6.5239711567,-1.4295153402,0.0,-0.1528641727,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Cu-K-Np-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_c_a_2c3f:Cu-K-Np-S, expected KNpCuS8 to be KNpCuS3" +mp-1208373,TbAg(WO4)2,-8.4589149433,-2.3791905889,0.0,-0.0029787073,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Tb-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:Ag-O-Tb-W +mp-9855,KHfCuS3,-6.1218751267,-1.5258510854,0.0,-0.1050275104,GGA,Cmcm,ABCD3_oC24_63_c_a_c_cf:Cu-Hf-K-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_c_a_c_c2f:Cu-Hf-K-S, expected KHfCuS5 to be KHfCuS3" +mp-696806,BaH4(BrO)2,-4.8894696606,-1.7239904158,0.0095997333,0.0095997333,GGA,C2/c,AB2C4D2_mC36_15_e_f_2f_f:Ba-Br-H-O,18.0,AB2C4D2_mC36_15_e_f_2f_f:Ba-Br-H-O +mp-1214490,BaH(BrO3)2,-4.6472003895,-0.8374113982,0.4003603722,0.4003603722,GGA,C2/c,AB2CD6_mC40_15_e_f_e_3f:Ba-Br-H-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Ba-Br-H-O +mp-1214688,Ba2HBr2,-2.86693076,-0.7995842430000001,1.006084902,1.006084902,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ba-Br-H,5.0,A2B2C_tP5_123_g_g_a:Ba-Br-H +mp-642844,BaH5BrO3,-5.2298281105,-1.7022581476,0.0,-0.0035170513,GGA,P4/nmm,ABC5D3_tP20_129_c_c_ci_cf:Ba-Br-H-O,20.0,ABC5D3_tP20_129_c_c_ci_cf:Ba-Br-H-O +mp-24424,BaHBr,-3.9793604767,-1.6911173717,0.0,-0.0695992679,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Br-H,6.0,ABC_tP6_129_c_c_a:Ba-Br-H +mp-1192207,BaH2Br2O7,-5.0684763854,-1.1987009964,0.012309879,0.012309879,GGA,C2/c,AB2C2D7_mC48_15_e_f_f_e3f:Ba-Br-H-O,24.0,AB2C2D7_mC48_15_e_f_f_e3f:Ba-Br-H-O +mp-643036,BaHBrO,-5.2766262169,-2.3237717103,0.0,-0.0410752485,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Ba-Br-H-O,16.0,ABCD_oP16_62_c_c_c_c:Ba-Br-H-O +mp-1213555,CuSn(O2F3)2,-4.3326372913,-1.0522700267,0.5642219017,0.5642219017,GGA,P2_1/c,AB6C4D_mP24_14_a_3e_2e_d:Cu-F-O-Sn,24.0,AB6C4D_mP24_14_a_3e_2e_b:Cu-F-O-Sn +mp-759031,Bi19(O9F)3,-6.0590492066,-1.7271241949,0.0399859655,0.0399859655,GGA,P6_3,A19B3C27_hP98_173_a6c_3b_9c:Bi-F-O,98.0,"Invalid WP multiplicities - A19B3C27_hP98_173_a36c_5b_52c:Bi-F-O, expected Bi109O156F5 to be Bi19(O9F)3" +mp-761704,Bi4O5F2,-5.9170094341,-1.9244314331,0.0491059186,0.0491059186,GGA,P2_1,A4B2C5_mP44_4_8a_4a_10a:Bi-F-O,44.0,"Invalid WP multiplicities - A4B2C5_mP44_4_15a_7a_19a:Bi-F-O, expected Bi15O19F7 to be Bi4O5F2" +mp-753699,Bi4O5F2,-5.8841356982,-1.8915576972,0.0819796545,0.0819796545,GGA,P2_1/c,A4B2C5_mP22_14_2e_e_a2e:Bi-F-O,22.0,"Invalid WP multiplicities - A4B2C5_mP22_14_7e_e_2a7e:Bi-F-O, expected Bi7O8F to be Bi4O5F2" +mp-759848,Bi4O5F2,-5.901665407,-1.909087406,0.0644499457,0.0644499457,GGA,Pnma,A4B2C5_oP44_62_2cd_2c_c2d:Bi-F-O,44.0,"Invalid WP multiplicities - A4B2C5_oP44_62_7c2d_5c_2c7d:Bi-F-O, expected Bi11O16F5 to be Bi4O5F2" +mp-760230,Bi5O4F7,-5.6292201978000005,-2.3561231186,0.0269701095,0.0269701095,GGA,Aea2,A5B7C4_oC128_41_5b_7b_2a3b:Bi-F-O,64.0,"Invalid WP multiplicities - A5B7C4_oC128_41_18b_24b_4a11b:Bi-F-O, expected Bi18O13F24 to be Bi5O4F7" +mp-753455,BiOF3,-5.060385857,-2.1560629083,0.0767795713,0.0767795713,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Bi-F-O,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Bi-F-O, expected BiOF9 to be BiOF3" +mp-753755,Bi3O4F,-5.9933079669,-1.8408453166,0.03543307,0.03543307,GGA,C2,A3BC4_mC32_5_ab2c_c_4c:Bi-F-O,16.0,"Invalid WP multiplicities - A3BC4_mC32_15_2e3f_a_5f:Bi-F-O, expected Bi8O10F to be Bi3O4F" +mp-760758,Bi3O4F,-5.9361777544,-1.7837151041,0.0925632825,0.0925632825,GGA,C2/m,A3BC4_mC32_12_3i_i_4i:Bi-F-O,16.0,"Invalid WP multiplicities - A3BC4_mC32_12_5i_i_7i:Bi-F-O, expected Bi5O7F to be Bi3O4F" +mp-757162,Bi3O4F,-6.0079944625,-1.8555318122,0.0207465744,0.0207465744,GGA,P2/c,A3BC4_mP16_13_eg_f_2g:Bi-F-O,16.0,"Invalid WP multiplicities - A3BC4_mP16_13_e2g_f_3g:Bi-F-O, expected Bi5O6F to be Bi3O4F" +mp-1178488,Bi3O4F,-5.9940189294,-1.8415562791,0.0347221075,0.0347221075,GGA,C2/c,A3BC4_mC32_15_ef_c_2f:Bi-F-O,16.0,"Invalid WP multiplicities - A3BC4_mC32_15_2e3f_a_5f:Bi-F-O, expected Bi8O10F to be Bi3O4F" +mp-753600,Bi3O4F,-5.9584900506,-1.8060274003,0.0702509863,0.0702509863,GGA,Cmcm,A3BC4_oC32_63_cf_a_2cf:Bi-F-O,16.0,"Invalid WP multiplicities - A3BC4_oC32_63_2cf_a_4cf:Bi-F-O, expected Bi4O6F to be Bi3O4F" +mp-1207167,Bi2OF2,-4.467696858,-1.1775718768,0.9178153148,0.9178153148,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Bi-F-O,5.0,A2B2C_tP5_123_g_g_a:Bi-F-O +mp-1399519,BiOF,-5.798014,-2.2317950638,0.0010995283,-0.0261581364,GGA,P2_1,ABC_mP6_4_a_a_a:Bi-F-O,6.0,ABC_tP6_129_c_a_b:Bi-F-O +mp-753673,BiOF,-5.7167703583,-2.1505514221,0.08234317,0.0550855053,GGA,P2_1/m,ABC_mP24_11_4e_4e_4e:Bi-F-O,24.0,ABC_mP24_11_7e_7e_7e:Bi-F-O +mp-759750,BiOF,-5.7163315058,-2.1501125696,0.0827820225,0.0555243578,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:Bi-F-O,36.0,ABC_mP36_14_9e_9e_9e:Bi-F-O +mp-753478,BiOF,-5.7804283542,-2.2142094179,0.0186851742,-0.0085724905,GGA,P2_1/c,ABC_mP12_14_e_e_e:Bi-F-O,12.0,ABC_mP12_14_e_e_e:Bi-F-O +mp-762304,BiOF,-5.7916505717,-2.2254316354,0.0074629567,-0.019794708,GGA,P2_1/c,ABC_mP12_14_e_e_e:Bi-F-O,12.0,ABC_mP12_14_e_e_e:Bi-F-O +mp-23074,BiOF,-5.78360968,-2.2173907438,0.0155038483,-0.0117538164,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-F-O,6.0,ABC_tP6_129_c_c_a:Bi-F-O +mp-761108,BiOF,-5.7102990067,-2.1440800704,0.0888145217,0.061556857,GGA,Fdd2,ABC_oF48_43_b_b_b:Bi-F-O,12.0,ABC_oF48_43_b_b_b:Bi-F-O +mp-759870,BiOF,-5.7561319973,-2.189913061,0.042981531,0.0157238663,GGA,Pbca,ABC_oP48_61_2c_2c_2c:Bi-F-O,48.0,ABC_oP48_61_5c_5c_5c:Bi-F-O +mp-760162,BiOF,-5.78259739,-2.2163784538,0.0165161383,-0.0107415264,GGA,Pbca,ABC_oP48_61_2c_2c_2c:Bi-F-O,48.0,ABC_oP48_61_5c_5c_5c:Bi-F-O +mp-759825,BiOF,-5.763809045,-2.1975901088,0.0353044833,0.0080468186,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-F-O,12.0,ABC_oP12_62_c_c_c:Bi-F-O +mp-753160,BiOF,-5.77591628,-2.2096973438,0.0231972483,-0.0040604164,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-F-O,12.0,ABC_oP12_62_c_c_c:Bi-F-O +mp-753360,BiOF,-5.7585249442,-2.1923060079,0.0405885842,0.0133309195,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-F-O,12.0,ABC_oP12_62_c_c_c:Bi-F-O +mp-1178491,BiOF,-5.7097209758,-2.1435020396,0.0893925525,0.0621348878,GGA,Fddd,ABC_oF48_70_e_c_f:Bi-F-O,12.0,ABC_oF48_70_e_c_f:Bi-F-O +mp-753594,BiOF,-5.7991135283,-2.2328945921,0.0,-0.0272576647,GGA,P4/nmm,ABC_tP6_129_c_a_b:Bi-F-O,6.0,ABC_tP6_129_c_a_b:Bi-F-O +mp-759883,BiOF,-5.7897223917,-2.2235034554,0.0093911367,-0.017866528,GGA,R-3m,ABC_hR18_166_c_c_c:Bi-F-O,6.0,ABC_hR18_166_c_c_c:Bi-F-O +mp-752949,BiOF,-5.764808635,-2.1985896988,0.0343048933,0.0070472286,GGA,R-3m,ABC_hR18_166_c_c_c:Bi-F-O,6.0,ABC_hR18_166_c_c_c:Bi-F-O +mp-759985,Bi3O2F5,-5.5334385197,-2.4362145547000003,0.0335869721,0.0335869721,GGA,P2/c,A3B5C2_mP40_13_ef2g_5g_2g:Bi-F-O,40.0,"Invalid WP multiplicities - A3B5C2_mP40_13_ef8g_15g_3g:Bi-F-O, expected Bi3OF5 to be Bi3O2F5" +mp-759405,Bi3O2F5,-5.5612639877,-2.4640400227,0.0057615041,0.0057615041,GGA,Pnma,A3B5C2_oP40_62_cd_c2d_d:Bi-F-O,40.0,"Invalid WP multiplicities - A3B5C2_oP40_62_2c3d_3c6d_d:Bi-F-O, expected Bi8O2F15 to be Bi3O2F5" +mp-753309,Bi2OF4,-5.446075175,-2.5498490548,0.0117386356,0.0117386356,GGA,C2/c,A2B4C_mC28_15_f_2f_e:Bi-F-O,14.0,"Invalid WP multiplicities - A2B4C_mC28_15_f_3f_e:Bi-F-O, expected Bi2OF6 to be Bi2OF4" +mp-753832,Bi4O3F7,-5.4299606064,-2.3169337903,0.08760708,0.08760708,GGA,Pm,A4B7C3_mP14_6_2a2b_3a4b_2ab:Bi-F-O,14.0,A4B7C3_mP14_6_2a2b_3a4b_2ab:Bi-F-O +mp-1220571,NbBi2O5F,-7.3447292375,-2.4083730349,0.0206779411,0.0206779411,GGA,P2_12_12_1,A2BCD5_oP36_19_2a_a_a_5a:Bi-F-Nb-O,36.0,A2BCD5_oP36_19_2a_a_a_5a:Bi-F-Nb-O +mp-1198057,NbBi2O5F,-7.3528795936,-2.416523391,0.012527585,0.012527585,GGA,Pca2_1,A2BCD5_oP36_29_2a_a_a_5a:Bi-F-Nb-O,36.0,A2BCD5_oP36_29_2a_a_a_5a:Bi-F-Nb-O +mp-766358,Bi5O7F,-5.9966206462,-1.7088709849,0.0851113542,0.0851113542,GGA,P-1,A5BC7_aP26_2_5i_i_7i:Bi-F-O,26.0,"Invalid WP multiplicities - A5BC7_mC52_12_9i_i_13i:Bi-F-O, expected Bi9O13F to be Bi5O7F" +mp-1178487,Bi5O7F,-5.9974102408,-1.7096605795,0.0843217596,0.0843217596,GGA,C2/m,A5BC7_mC52_12_5i_i_7i:Bi-F-O,26.0,"Invalid WP multiplicities - A5BC7_mC52_12_9i_i_13i:Bi-F-O, expected Bi9O13F to be Bi5O7F" +mp-760059,Bi5O7F,-6.0092826042,-1.721532943,0.0724493962,0.0724493962,GGA,P2_1/c,A5BC7_mP52_14_5e_e_7e:Bi-F-O,52.0,"Invalid WP multiplicities - A5BC7_mP52_14_17e_e_25e:Bi-F-O, expected Bi17O25F to be Bi5O7F" +mp-760319,Bi5O7F,-6.0232293187,-1.7354796574,0.0585026817,0.0585026817,GGA,Ibca,A5BC7_oI104_73_c2f_c_d3f:Bi-F-O,52.0,"Invalid WP multiplicities - A5BC7_oI104_73_c4f_c_2d11f:Bi-F-O, expected Bi9O24F to be Bi5O7F" +mp-1190898,Bi7O5F11,-5.6002638296,-2.4418666074,0.0,-0.0079759887,GGA,C2,A7B11C5_mC46_5_b3c_a5c_a2c:Bi-F-O,23.0,A7B11C5_mC46_5_b3c_a5c_a2c:Bi-F-O +mp-766268,Bi12O16F5,-5.9432250794,-1.8586710255,0.050614749,0.050614749,GGA,C2,A12B5C16_mC66_5_6c_a2c_8c:Bi-F-O,33.0,"Invalid WP multiplicities - A12B5C16_mC66_5_11c_a4c_15c:Bi-F-O, expected Bi22(O10F3)3 to be Bi12O16F5" +mp-1178496,Bi6O5F8,-5.6107935968,-2.2914141191,0.0679635349,0.0679635349,GGA,P1,A6B8C5_aP19_1_6a_8a_5a:Bi-F-O,19.0,A6B8C5_aP19_1_6a_8a_5a:Bi-F-O +mp-760370,Bi6O5F8,-5.6592481292,-2.3398686515,0.0195090025,0.0195090025,GGA,P2_1/c,A6B8C5_mP76_14_6e_8e_5e:Bi-F-O,76.0,"Invalid WP multiplicities - A6B8C5_mP76_14_19e_23e_15e:Bi-F-O, expected Bi19O15F23 to be Bi6O5F8" +mp-759894,Bi7(O2F3)3,-5.6573718611,-2.3043324573,0.0377975065,0.0377975065,GGA,Aem2,A7B9C6_oC88_39_c3d_c4d_ab2d:Bi-F-O,44.0,"Invalid WP multiplicities - A7B9C6_oC88_39_2c5d_2c7d_ab4d:Bi-F-O, expected Bi6O5F8 to be Bi7(O2F3)3" +mp-759798,Bi7(O2F3)3,-5.6753033758,-2.3222639719,0.0198659918,0.0198659918,GGA,Aea2,A7B9C6_oC176_41_7b_9b_2a5b:Bi-F-O,88.0,"Invalid WP multiplicities - A7B9C6_oC176_41_26b_32b_4a19b:Bi-F-O, expected Bi26O21F32 to be Bi7(O2F3)3" +mp-1219867,Pr6Cu8P8O3,-6.0791652848,-1.2941423217,0.0126384294,0.0126384294,GGA,C222,A8B3C8D6_oC50_21_2e2f_abc_2l_kl:Cu-O-P-Pr,25.0,"Invalid WP multiplicities - A8B3C8D6_oC50_21_4e4f_abc_2l_kl:Cu-O-P-Pr, expected Pr6Cu16P8O3 to be Pr6Cu8P8O3" +mp-1193410,Ba(DyS2)2,-6.3784558264,-2.4244060996,0.0,-0.0657352864,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Dy-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Dy-S +mp-5241,DyPS4,-5.7915980267,-1.363949891,0.0,-0.073474055,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Dy-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_ab_e_3g:Dy-P-S, expected DyPS6 to be DyPS4" +mp-1192185,DyPS,-6.4499470987,-1.7311006942,0.0,-0.0563259628,GGA,Pnma,ABC_oP24_62_2c_d_2c:Dy-P-S,24.0,ABC_oP24_62_2c_d_2c:Dy-P-S +mp-560798,Ba3Dy2(PS4)4,-5.6058713928,-1.4935951369,0.0,-0.0234266326,GGA,Pbcn,A3B2C4D16_oP100_60_cd_d_2d_8d:Ba-Dy-P-S,100.0,"Invalid WP multiplicities - A3B2C4D16_oP100_60_2c3d_d_12d_54d:Ba-Dy-P-S, expected Ba4Dy(P2S9)6 to be Ba3Dy2(PS4)4" +mp-1103537,Y2FeC4,-8.6164060707,-0.2853167269,0.0,-0.0641641772,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Y,14.0,A4BC2_oI28_72_2j_a_j:C-Fe-Y +mp-1216258,Y2Fe17C,-8.341561061,-0.0339626465,0.0242200561,0.0242200561,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Fe-Y,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i3j_i:C-Fe-Y, expected Y2Fe25C to be Y2Fe17C" +mp-1216410,Y2Fe17C,-8.3426784365,-0.035080022,0.0231026806,0.0231026806,GGA,Amm2,AB17C2_oC80_38_d_5c3d3e3f_2a2b:C-Fe-Y,40.0,"Invalid WP multiplicities - AB17C2_oC80_38_d_9c6d6e6f_2a2b:C-Fe-Y, expected Y2Fe33C to be Y2Fe17C" +mp-1207957,Y2Fe14C,-8.3473858066,-0.0684502384,0.0,-0.0150378088,GGA,P4_2/mnm,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Y,68.0,AB14C2_tP68_136_f_ce2j2k_fg:C-Fe-Y +mp-1216379,Y2Ga3(Fe7C)2,-7.7107127786,-0.136671911,0.0316324418,0.0316324418,GGA,C2/m,A2B14C3D2_mC42_12_e_h2i2j_af_i:C-Fe-Ga-Y,21.0,"Invalid WP multiplicities - A2B14C3D2_mC42_12_f_2h3i3j_ae_i:C-Fe-Ga-Y, expected Y2Ga3(Fe11C)2 to be Y2Ga3(Fe7C)2" +mp-1216161,Y2Fe17C2,-8.410002309,-0.0585435575,0.0100996995,0.0100996995,GGA,C2/m,A2B17C2_mC42_12_e_afh2i2j_i:C-Fe-Y,21.0,"Invalid WP multiplicities - A2B17C2_mC42_12_f_ae2h3i3j_i:C-Fe-Y, expected Y2Fe25C2 to be Y2Fe17C2" +mp-1216228,Y4Fe34C3,-8.3766340788,-0.0465706136,0.016969934,0.016969934,GGA,P-1,A3B34C4_aP41_2_ci_ab16i_2i:C-Fe-Y,41.0,"Invalid WP multiplicities - A3B34C4_aP41_2_ci_ab30i_4i:C-Fe-Y, expected Y8Fe62C3 to be Y4Fe34C3" +mp-1190821,Y2Fe17C3,-8.4680194736,-0.0766876884,0.0014651635,0.0014651635,GGA,R-3m,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Y,22.0,A3B17C2_hR66_166_e_cdfh_c:C-Fe-Y +mp-1207759,Y2Fe17C3,-8.4687318327,-0.0774000475,0.0007528044,0.0007528044,GGA,P6_3/mmc,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Y,44.0,A3B17C2_hP44_194_h_fgjk_bc:C-Fe-Y +mp-10601,Y3GaC,-6.809426208,-0.478191237,0.0,-0.035915785,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Y,5.0,ABC3_cP5_221_b_a_c:C-Ga-Y +mp-1181407,Gd(CO3)2,-8.8892757489,-1.9766551386,0.2858450292,0.2858450292,GGA,Amm2,A2BC6_oC36_38_2ae_d_3def:C-Gd-O,18.0,A2BC6_oC36_38_2ae_d_3def:C-Gd-O +mp-541789,CsGd(CO3)2,-8.849176702,-2.5382779155,0.0,-0.1470452121,GGA,P-1,A2BCD6_aP40_2_4i_2i_2i_12i:C-Cs-Gd-O,40.0,A2BCD6_aP40_2_4i_2i_2i_12i:C-Cs-Gd-O +mp-1191361,GdCO4,-9.6325156837,-2.4505919208,0.0579863651,0.0579863651,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-Gd-O,24.0,ABC4_oP24_19_a_a_4a:C-Gd-O +mp-1199796,GdCO4,-9.6873853592,-2.5054615962,0.0031166897,0.0031166897,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Gd-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Gd-O +mp-1046672,Ca4Te3W5O18,-7.8000433702,-2.0905978651,0.2986649648,0.2986649648,GGA+U,C2,A4B18C3D5_mC120_5_4c_18c_3c_ab4c:Ca-O-Te-W,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_5_7c_36c_4c_ab8c:Ca-O-Te-W, expected Ca7Te4(WO4)9 to be Ca4Te3W5O18" +mp-1047738,Ca2TeWO6,-7.403121186,-2.4238443709,0.1766825371,0.1766825371,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Te-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Te-W +mp-1370620,Ca2TeWO6,-7.3160556235,-2.3367788084,0.2637480996,0.2637480996,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Te-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Te-W +mp-705638,Fe21HO32,-7.8334202653,-1.5453237798,0.1508650994,0.1508650994,GGA+U,Cmc2_1,A21BC32_oC216_36_7a7b_a_8a12b:Fe-H-O,108.0,"Invalid WP multiplicities - A21BC32_oC216_36_12a26b_a_16a45b:Fe-H-O, expected Fe64HO106 to be Fe21HO32" +mp-685230,Fe21HO32,-7.6207343719,-1.3326378864,0.3635509928,0.3635509928,GGA+U,Cmc2_1,A21BC32_oC216_36_7a7b_a_8a12b:Fe-H-O,108.0,"Invalid WP multiplicities - A21BC32_oC216_36_12a26b_a_16a45b:Fe-H-O, expected Fe64HO106 to be Fe21HO32" +mp-1225160,Fe21HO32,-7.7957517524,-1.5076552669,0.1885336123,0.1885336123,GGA+U,R3m,A21BC32_hR162_160_3a4bc_a_2a6b2c:Fe-H-O,54.0,"Invalid WP multiplicities - A21BC32_hR162_160_3a6b3c_a_2a10b6c:Fe-H-O, expected Fe39HO68 to be Fe21HO32" +mp-1191971,FeRe2(H2O3)4,-6.8759892574,-1.6646349759,0.0,-0.0384464208,GGA+U,P-1,AB8C12D2_aP23_2_a_4i_6i_i:Fe-H-O-Re,23.0,AB8C12D2_aP23_2_a_4i_6i_i:Fe-H-O-Re +mp-625838,FeHO2,-6.8697748064,-1.430743637,0.1196221167,0.1174358264,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-625883,FeHO2,-6.8785905275,-1.4395593581,0.1108063956,0.1086201053,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-626570,FeHO2,-6.7862033686,-1.3471721992,0.2031935545,0.2010072642,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-626573,FeHO2,-6.8143256511,-1.3752944817,0.175071272,0.1728849817,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-1181604,FeHO2,-6.86827324,-1.4292420706,0.1211236831,0.1189373928,GGA+U,P1,ABC2_aP16_1_4a_4a_8a:Fe-H-O,16.0,ABC2_aP16_1_4a_4a_8a:Fe-H-O +mp-1182152,FeHO2,-6.8563946911,-1.4173635217,0.133002232,0.1308159417,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-1182431,FeHO2,-6.8065248431,-1.3674936737,0.18287208,0.1806857897,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-1182700,FeHO2,-6.8835835703,-1.4445524009,0.1058133528,0.1036270625,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-626070,FeHO2,-6.7072967041,-1.2682655347,0.2821002191,0.2799139287,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-626305,FeHO2,-6.7110124737,-1.2719813044,0.2783844494,0.2761981591,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:Fe-H-O,64.0,ABC2_aP64_1_16a_16a_32a:Fe-H-O +mp-625282,FeHO2,-6.8419660119,-1.4029348425,0.1474309112,0.1452446209,GGA+U,P2_1,ABC2_mP16_4_2a_2a_4a:Fe-H-O,16.0,ABC2_mP16_4_2a_2a_4a:Fe-H-O +mp-1181530,FeHO2,-6.8106117262,-1.3715805569,0.1787851969,0.1765989066,GGA+U,P2_1,ABC2_mP16_4_2a_2a_4a:Fe-H-O,16.0,ABC2_mP16_4_2a_2a_4a:Fe-H-O +mp-626495,FeHO2,-6.9344828719,-1.4954517025,0.0549140512,0.0527277609,GGA+U,P2_1/m,ABC2_mP8_11_e_e_2e:Fe-H-O,16.0,ABC2_mP8_11_e_e_2e:Fe-H-O +mp-1274672,FeHO2,-6.9197123862000005,-1.4806812169,0.0696845369,0.0674982466,GGA+U,C2/m,ABC2_mC32_12_2i_2i_4i:Fe-H-O,16.0,"Invalid WP multiplicities - ABC2_mC32_12_4i_2i_4i:Fe-H-O, expected Fe2HO2 to be FeHO2" +mp-625251,FeHO2,-6.5956473725,-1.1566162031,0.3937495506,0.3915632603,GGA+U,P2_12_12_1,ABC2_oP16_19_a_a_2a:Fe-H-O,16.0,ABC2_oP16_19_a_a_2a:Fe-H-O +mp-625220,FeHO2,-6.9352901419,-1.4962589725,0.0541067812,0.0519204909,GGA+U,Pmc2_1,ABC2_oP16_26_ab_ab_2a2b:Fe-H-O,16.0,ABC2_oP16_26_ab_ab_2a2b:Fe-H-O +mp-510670,FeHO2,-6.9386504862,-1.4996193169,0.0507464369,0.0485601466,GGA+U,Pmn2_1,ABC2_oP8_31_a_a_2a:Fe-H-O,8.0,ABC2_oP8_31_a_a_2a:Fe-H-O +mp-625252,FeHO2,-6.86996377,-1.4309326006,0.1194331531,0.1172468628,GGA+U,Pna2_1,ABC2_oP16_33_a_a_2a:Fe-H-O,16.0,ABC2_oP16_33_a_a_2a:Fe-H-O +mp-626088,FeHO2,-6.9826484737,-1.5436173044,0.0067484494,0.0045621591,GGA+U,Cmc2_1,ABC2_oC16_36_a_a_2a:Fe-H-O,16.0,ABC2_oC16_36_a_a_2a:Fe-H-O +mp-24200,FeHO2,-6.4310447712,-0.9920136019,0.5583521519,0.5561658616,GGA+U,Cmc2_1,ABC2_oC16_36_a_a_2a:Fe-H-O,8.0,ABC2_oC16_63_c_c_2c:Fe-H-O +mp-605437,FeHO2,-6.9893969231,-1.5503657537,0.0,-0.0021862903,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Fe-H-O,16.0,ABC2_oP16_62_c_c_2c:Fe-H-O +mp-625242,FeHO2,-6.9344658187,-1.4954346494,0.0549311044,0.0527448141,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Fe-H-O,16.0,ABC2_oP16_62_c_c_2c:Fe-H-O +mp-625275,FeHO2,-6.8169648975,-1.3779337281,0.1724320256,0.1702457353,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Fe-H-O,16.0,ABC2_oP16_62_c_c_2c:Fe-H-O +mp-1181413,FeHO2,-6.7403988012,-1.3013676319,0.2489981219,0.2468118316,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:Fe-H-O,16.0,ABC2_oP16_62_c_c_2c:Fe-H-O +mp-696580,FeHO2,-6.9525883419,-1.5135571725,0.0368085812,0.0346222909,GGA+U,Cmcm,ABC2_oC16_63_c_a_2c:Fe-H-O,16.0,ABC2_oC16_63_c_a_2c:Fe-H-O +mp-24992,FeHO2,-6.4316088587,-0.9925776894,0.5577880644000001,0.5556017741,GGA+U,Cmcm,ABC2_oC16_63_c_c_2c:Fe-H-O,8.0,ABC2_oC16_63_c_c_2c:Fe-H-O +mp-626379,FeHO2,-6.7964066694,-1.3573754999999998,0.1929902537,0.1908039634,GGA+U,I-4,ABC2_tI32_82_g_g_2g:Fe-H-O,16.0,ABC2_tI32_82_g_g_2g:Fe-H-O +mp-626307,FeHO2,-6.8365373425,-1.3975061731,0.1528595806,0.1506732903,GGA+U,I4/m,ABC2_tI32_87_h_h_2h:Fe-H-O,16.0,ABC2_tI32_87_h_h_2h:Fe-H-O +mp-626316,FeHO2,-6.9342437244,-1.4952125550000002,0.0551531988,0.0529669084,GGA+U,I4/m,ABC2_tI32_87_h_h_2h:Fe-H-O,16.0,ABC2_tI32_87_h_h_2h:Fe-H-O +mp-1237867,FeHO2,-6.8766541919,-1.4376230225,0.1127427312,0.1105564409,GGA+U,I4/m,ABC2_tI32_87_h_h_2h:Fe-H-O,16.0,ABC2_tI32_87_h_h_2h:Fe-H-O +mp-755285,FeHO2,-6.9121919306,-1.4731607612,0.0772049925,0.0750187022,GGA+U,P3m1,ABC2_hP4_156_b_a_ac:Fe-H-O,16.0,ABC2_hP4_156_b_a_ac:Fe-H-O +mp-626689,Fe(HO)2,-6.377852876,-1.3480827315,0.0140118945,0.0140118945,GGA+U,C2,AB2C2_mC10_5_a_c_c:Fe-H-O,5.0,AB2C2_mC10_5_a_c_c:Fe-H-O +mp-1272250,Fe(HO)2,-6.3913961225,-1.361625978,0.000468648,0.000468648,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Fe-H-O,20.0,AB2C2_mC10_12_a_i_i:Fe-H-O +mp-626680,Fe(HO)2,-6.391436579,-1.3616664345,0.0004281915,0.0004281915,GGA+U,P-3m1,AB2C2_hP5_164_a_d_d:Fe-H-O,20.0,AB2C2_hP5_164_a_d_d:Fe-H-O +mp-626574,Fe8H10O17,-6.6776937907,-1.3696612701,0.1577063351,0.1577063351,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182247,Fe8H10O17,-6.6993686614,-1.3913361408,0.1360314644,0.1360314644,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182260,Fe8H10O17,-6.7094969607,-1.4014644401,0.1259031651,0.1259031651,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182530,Fe8H10O17,-6.7273880737,-1.4193555531,0.1080120521,0.1080120521,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182671,Fe8H10O17,-6.7274747827,-1.4194422621,0.1079253431,0.1079253431,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182698,Fe8H10O17,-6.7144739139,-1.4064413933,0.1209262119,0.1209262119,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1182707,Fe8H10O17,-6.7225920601,-1.4145595395,0.1128080656,0.1128080656,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-626406,Fe8H10O17,-6.5846186654,-1.2765861448,0.2507814604,0.2507814604,GGA+U,P1,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O,70.0,A8B10C17_aP70_1_16a_20a_34a:Fe-H-O +mp-1193306,Fe5HO8,-7.654428705,-1.5604042918,0.1024535873,0.1024535873,GGA+U,Cmc2_1,A5BC8_oC56_36_3ab_a_4a2b:Fe-H-O,28.0,A5BC8_hP28_186_2bc_a_ab2c:Fe-H-O +mp-626851,Fe4H14O13,-6.0333286794,-1.3338060111,0.0867314846,0.0867314846,GGA+U,P1,A4B14C13_aP31_1_4a_14a_13a:Fe-H-O,31.0,A4B14C13_aP31_1_4a_14a_13a:Fe-H-O +mp-626855,Fe4H14O13,-6.0347859723,-1.3352633040000002,0.0852741917,0.0852741917,GGA+U,P1,A4B14C13_aP31_1_4a_14a_13a:Fe-H-O,31.0,A4B14C13_aP31_1_4a_14a_13a:Fe-H-O +mp-626827,Fe4H14O13,-5.999437681,-1.2999150127,0.120622483,0.120622483,GGA+U,P-1,A4B14C13_aP31_2_bcdh_7i_a6i:Fe-H-O,31.0,"Invalid WP multiplicities - A4B14C13_aP31_2_bcdh_10i_a9i:Fe-H-O, expected Fe4H20O19 to be Fe4H14O13" +mp-1374596,Fe4H14O13,-3.1041530197,1.5953696486,3.0159071443,3.0159071443,GGA+U,P-1,A4B14C13_aP31_2_bcdh_7i_a6i:Fe-H-O,31.0,"Invalid WP multiplicities - A4B14C13_aP31_2_bcdh_10i_a9i:Fe-H-O, expected Fe4H20O19 to be Fe4H14O13" +mp-1181809,Cr2N2O7,-7.1727461718,-0.7540274656,0.6968385318,0.6968385318,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:Cr-N-O,22.0,A2B2C7_mC44_15_f_f_e3f:Cr-N-O +mp-1191080,Cr2N2O7,-6.4089218364,0.0097968699,1.4606628673,1.4606628673,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:Cr-N-O,22.0,A2B2C7_mC44_15_f_f_e3f:Cr-N-O +mp-1247567,CrCu2N3,-7.1437913692,-0.0003004383,0.2302118008,0.2302118008,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Cu-N,12.0,AB2C3_oC24_36_a_b_ab:Cr-Cu-N +mp-1204126,Cr3(NO5)2,-6.6671147962,-0.3271801714,1.1768006128,1.1768006128,GGA+U,P6_3/m,A3B2C10_hP90_176_hi_bfh_2h4i:Cr-N-O,90.0,A3B2C10_hP90_176_hi_bfh_2h4i:Cr-N-O +mp-1105410,Cr(NO2)2,-6.9305451914,-0.3430034536,0.8705835845000001,0.8705835845000001,GGA+U,Pm,AB2C4_mP14_6_ab_2a2b_2a2b2c:Cr-N-O,14.0,AB2C4_mP14_6_ab_2a2b_2a2b2c:Cr-N-O +mp-1181843,Cr(NO2)2,-6.9814915850000006,-0.3939498471,0.8196371909,0.8196371909,GGA+U,Pm,AB2C4_mP14_6_ab_2a2b_2a2b2c:Cr-N-O,14.0,AB2C4_mP14_6_ab_2a2b_2a2b2c:Cr-N-O +mp-1105281,Cr(NO2)2,-6.9538246957,-0.3662829579,0.8473040802,0.8473040802,GGA+U,C2/m,AB2C4_mC28_12_i_2i_2ij:Cr-N-O,14.0,AB2C4_mC28_12_i_2i_2ij:Cr-N-O +mp-1181825,Cr(NO2)2,-6.424347325,0.1631944129,1.3767814509,1.3767814509,GGA+U,C2/m,AB2C4_mC28_12_i_2i_2ij:Cr-N-O,14.0,AB2C4_mC28_12_i_2i_2ij:Cr-N-O +mp-1178448,Cr(NO3)5,-6.8099743702,-0.8320766195,0.0,-0.0198995813,GGA+U,P3_221,AB5C15_hP63_154_a_a2c_a7c:Cr-N-O,63.0,"Invalid WP multiplicities - AB5C15_hP63_154_a_3a8c_3a38c:Cr-N-O, expected CrN19O79 to be Cr(NO3)5" +mp-1202142,CrN3O4,-5.5384391163,1.26772177,2.3296104283,2.3296104283,GGA+U,P2_1/c,AB3C4_mP64_14_2e_6e_8e:Cr-N-O,64.0,AB3C4_mP64_14_2e_6e_8e:Cr-N-O +mp-1197873,CrN3O4,-5.4789812611,1.3271796251,2.3890682834,2.3890682834,GGA+U,Pnma,AB3C4_oP96_62_cd_3c3d_6d:Cr-N-O,96.0,AB3C4_oP96_62_cd_3c3d_6d:Cr-N-O +mp-1104990,Cr2Cu(NO2)4,-5.8968937547,0.5247589787,2.376229201,2.376229201,GGA+U,P-1,A2BC4D8_aP15_2_i_a_2i_4i:Cr-Cu-N-O,15.0,A2BC4D8_aP15_2_i_a_2i_4i:Cr-Cu-N-O +mp-1194673,CrN3O8,-5.1513510421,1.0349857858,2.0624693308,2.0624693308,GGA+U,Pca2_1,AB3C8_oP48_29_a_3a_8a:Cr-N-O,48.0,"Invalid WP multiplicities - AB3C8_oP48_29_a_9a_31a:Cr-N-O, expected CrN9O31 to be CrN3O8" +mp-1213741,CrN3O8,-5.1653400525,1.0209967754,2.0484803204,2.0484803204,GGA+U,I-42m,AB3C8_tI24_121_a_bd_2i:Cr-N-O,12.0,AB3C8_tI24_121_a_bd_2i:Cr-N-O +mp-1213779,Cr3NO8,-7.4872642092,-1.0815019571,0.6266919296,0.6266919296,GGA+U,C2/m,A3BC8_mC24_12_ai_c_2ij:Cr-N-O,12.0,A3BC8_mC24_12_ai_d_2ij:Cr-N-O +mp-1213918,Ce2FeP2O,-6.136325845,-0.1180769709,1.7959695234000002,1.7959695234000002,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ce-Fe-O-P,6.0,A2BCD2_tP6_123_g_a_b_g:Ce-Fe-O-P +mp-16272,Ce(FeP3)4,-6.8120363929,-0.6489302709,0.0,-0.0710301284,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ce-Fe-P,17.0,AB4C12_cI34_204_a_c_g:Ce-Fe-P +mp-541196,Ce2Fe12P7,-7.9274606762,-0.7179582773000001,0.0,-0.0432617108,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ce-Fe-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Ce-Fe-P +mp-6957,Ce(FeP)2,-7.735556336,-0.9956090183,0.0,-0.06769563,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ce-Fe-P,5.0,AB2C2_tI10_139_a_d_e:Ce-Fe-P +mp-1110888,K2NaYBr6,-4.063428088,-2.1306316599,0.026535425,0.026535425,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Na-Y +mp-1110752,K2RbYBr6,-4.019999737,-2.121402431,0.072547974,0.072547974,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Rb-Y +mp-1110633,KRb2ScI6,-3.443407145,-1.6189937153,0.0152074995,0.0152074995,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-K-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:I-K-Rb-Sc +mp-1193499,AgPd(IO3)3,-4.8173276971,-0.7492751782,0.0214161957,0.0214161957,GGA,P-1,AB3C9D_aP28_2_i_3i_9i_ab:Ag-I-O-Pd,28.0,AB3C9D_aP28_2_i_3i_9i_ab:Ag-I-O-Pd +mp-1198404,Pd(IO3)2,-4.9565896108,-0.7558399689,0.0201393156,0.0201393156,GGA,Pbca,A2B6C_oP36_61_c_3c_a:I-O-Pd,36.0,A2B6C_oP36_61_c_3c_a:I-O-Pd +mp-1197980,CrPb2F7,-5.8872281628,-2.8413587245,0.0,-0.0151939892,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-F-Pb,40.0,AB7C2_mP40_14_e_7e_2e:Cr-F-Pb +mp-554377,KCr2PbF9,-6.1880030402,-3.0085836814,0.0,-0.0137688991,GGA+U,Pnma,A2B9CD_oP52_62_2c_3c3d_c_c:Cr-F-K-Pb,52.0,"Invalid WP multiplicities - A2B9CD_oP52_62_5c_10c21d_c_c:Cr-F-K-Pb, expected KCr5PbF52 to be KCr2PbF9" +mp-1209668,Sr3H5(OsO4)2,-6.2545518761,-1.5845321464,0.3588323362,0.3588323362,GGA,P-1,A5B8C2D3_aP36_2_5i_8i_2i_3i:H-O-Os-Sr,36.0,A5B8C2D3_aP36_2_5i_8i_2i_3i:H-O-Os-Sr +mp-1355331,Sr3H5(OsO4)2,-2.1656689386,2.5043507911000003,4.4477152737,4.4477152737,GGA,P-1,A5B8C2D3_aP36_2_5i_8i_2i_3i:H-O-Os-Sr,36.0,A5B8C2D3_aP36_2_5i_8i_2i_3i:H-O-Os-Sr +mp-1078677,Sr2H6Os,-4.57541062,-0.6906649970000001,0.0,-0.2555780717,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:H-Os-Sr,9.0,A6BC2_cF36_225_e_a_c:H-Os-Sr +mp-1104257,Ba6Os2N6O,-6.871793796,-0.9428442786,0.0,-0.0172130603,GGA,R-3,A6B6CD2_hR45_148_f_f_a_c:Ba-N-O-Os,15.0,A6B6CD2_hR45_148_f_f_a_c:Ba-N-O-Os +mp-1247401,Ba3(OsN2)2,-7.0768484406,-0.2371107317,0.3459218744,0.3459218744,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Os,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Os +mp-1247412,Ba3(OsN2)2,-7.1653090569,-0.3255713481,0.2574612581,0.2574612581,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Os,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Os +mp-628618,Ba5Os3NO18,-7.4093867604,-2.1999842153,0.0,-0.0724033834,GGA,P6_3cm,A5BC18D3_hP54_185_bc_a_2c2d_c:Ba-N-O-Os,54.0,"Invalid WP multiplicities - A5BC18D3_hP54_185_2b2c_a_11c16d_c:Ba-N-O-Os, expected Ba10Os3NO129 to be Ba5Os3NO18" +mp-1246067,Ba(OsN2)2,-8.3711685546,-0.1254986261,0.2827519114,0.2827519114,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-Os,84.0,AB4C2_cP84_205_ac_2d_d:Ba-N-Os +mp-1246295,BaOsN2,-7.8438748663,-0.3890418113,0.175627275,0.175627275,GGA,Cmce,AB2C_oC32_64_f_ef_f:Ba-N-Os,16.0,AB2C_oC32_64_f_ef_f:Ba-N-Os +mp-1029640,Ba3OsN3,-6.6395289557,-0.6404179521000001,0.0,-0.092551115,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Os,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Os +mp-1246675,Ba3Os3N5,-7.7014908382,-0.3268088623,0.2197057964,0.2197057964,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Os,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Os +mp-1229201,Ag6HgNO11,-4.7553953489000005,-0.5422854998000001,0.0,-0.0095677231,GGA,Fmm2,A6BCD11_oF76_42_bcd_a_a_ac2e:Ag-Hg-N-O,19.0,"Invalid WP multiplicities - A6BCD11_oF76_42_2b2c2d_a_a_a2c7e:Ag-Hg-N-O, expected Ag12HgNO33 to be Ag6HgNO11" +mp-560443,AgHg2NO5,-4.7410204208,-0.6843698414,0.0,-0.0066405592,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:Ag-Hg-N-O,36.0,"Invalid WP multiplicities - AB2CD5_oP36_62_c_d_c_11c4d:Ag-Hg-N-O, expected AgHg2NO19 to be AgHg2NO5" +mp-559562,AgTeNO5,-5.8637285297,-0.9830034824,0.0052404723,0.0052404723,GGA,Pbcn,ABC5D_oP32_60_c_c_c2d_c:Ag-N-O-Te,32.0,"Invalid WP multiplicities - ABC5D_oP32_60_c_c_3c8d_c:Ag-N-O-Te, expected AgTeNO19 to be AgTeNO5" +mp-1204022,UCl2O15,-5.4192825332,-0.4643484222,0.4903586272,0.4903586272,GGA,P2_1/c,A2B15C_mP72_14_2e_15e_e:Cl-O-U,72.0,A2B15C_mP72_14_2e_15e_e:Cl-O-U +mp-27661,U2Cl5O2,-7.3395563289,-2.7041251353,0.0,-0.0264612235,GGA,Cmmm,A5B2C2_oC18_65_ap_h_g:Cl-O-U,9.0,"Invalid WP multiplicities - A5B2C2_oC18_65_a2p_h_g:Cl-O-U, expected U2Cl9O2 to be U2Cl5O2" +mp-23013,U(ClO)2,-7.867076257,-2.8907041065,0.0,-0.0188966214,GGA,Pnma,A2B2C_oP20_62_d_2c_c:Cl-O-U,20.0,"Invalid WP multiplicities - A2B2C_oP20_62_d_5c_c:Cl-O-U, expected UCl2O5 to be U(ClO)2" +mp-1207293,U2Cl2O,-7.563300356,-1.3179839457,0.9666155744,0.9666155744,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-O-U,5.0,A2BC2_tP5_123_g_a_g:Cl-O-U +mp-554303,La3U(ClO2)3,-8.3259364027,-3.6086153587,0.0,-0.0011106377,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-U,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-U +mp-1201898,U2ClO11,-6.9102478229,-1.2784669297,0.8837591166000001,0.8837591166000001,GGA,P2_1/c,AB11C2_mP56_14_e_11e_2e:Cl-O-U,56.0,AB11C2_mP56_14_e_11e_2e:Cl-O-U +mp-728988,UClO5,-6.9914410312,-1.5809567132,0.6352853607,0.6352853607,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cl-O-U,56.0,AB5C_mP56_14_2e_10e_2e:Cl-O-U +mp-1198379,UClO5,-7.2734061904,-1.8629218723,0.3533202016,0.3533202016,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cl-O-U,56.0,AB5C_mP56_14_2e_10e_2e:Cl-O-U +mp-1198445,UClO5,-7.1386504188,-1.7281661007,0.4880759732,0.4880759732,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cl-O-U,56.0,AB5C_mP56_14_2e_10e_2e:Cl-O-U +mp-1237642,UClO5,-6.837955118,-1.4274708,0.7887712739,0.7887712739,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cl-O-U,56.0,AB5C_mP56_14_2e_10e_2e:Cl-O-U +mp-1198277,U2ClO9,-7.5689830417,-1.8230201182,0.6991261550000001,0.6991261550000001,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Cl-O-U,48.0,AB9C2_mP48_14_e_9e_2e:Cl-O-U +mp-640563,UCl2O,-7.7789440369,-2.7951510266,0.0,-0.0190078544,GGA,Pbam,A2BC_oP48_55_2g4h_2gh_g2h:Cl-O-U,48.0,"Invalid WP multiplicities - A2BC_oP48_55_13g8h_2g5h_5g4h:Cl-O-U, expected U9(Cl3O)7 to be UCl2O" +mp-1095589,UCl2O3,-6.9031542325,-1.9317293219,0.5479019124,0.5479019124,GGA,P2_1/m,A2B3C_mP12_11_f_3e_e:Cl-O-U,12.0,A2B3C_mP12_11_f_3e_e:Cl-O-U +mp-1196192,UCl2O13,-5.7056862992,-0.7497215132,0.3243239173,0.3243239173,GGA,P2_1/c,A2B13C_mP64_14_2e_13e_e:Cl-O-U,64.0,A2B13C_mP64_14_2e_13e_e:Cl-O-U +mp-1216990,U5ClO12,-10.1662607431,-3.6292690072,0.0,-0.0146459031,GGA,Pmma,AB12C5_oP36_51_a_ef3i2j_e2i:Cl-O-U,36.0,AB12C5_oP36_51_a_ef3i2j_e2i:Cl-O-U +mp-1228886,CsVFeF6,-6.341845835,-3.0176010064,0.0,-0.0120422253,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Fe-V,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Fe-V, expected CsVFeF12 to be CsVFeF6" +mp-625455,NaH9O5,-5.071180493,-1.298480276,0.0497102917,0.0477593034,GGA,P1,A9BC5_aP30_1_18a_2a_10a:H-Na-O,30.0,A9BC5_aP30_1_18a_2a_10a:H-Na-O +mp-625501,NaH9O5,-5.0926536937,-1.3199534767,0.028237091,0.0262861028,GGA,P1,A9BC5_aP30_1_18a_2a_10a:H-Na-O,30.0,A9BC5_aP30_1_18a_2a_10a:H-Na-O +mp-626165,NaH9O5,-5.0685877807,-1.2958875637,0.052303004,0.0503520158,GGA,P1,A9BC5_aP30_1_18a_2a_10a:H-Na-O,30.0,A9BC5_aP30_1_18a_2a_10a:H-Na-O +mp-626554,NaH9O5,-5.0917747243,-1.3190745074,0.0291160603,0.0271650721,GGA,P1,A9BC5_aP30_1_18a_2a_10a:H-Na-O,30.0,A9BC5_aP30_1_18a_2a_10a:H-Na-O +mp-625378,NaH9O5,-5.1208907847,-1.3481905677,0.0,-0.0019509882,GGA,C2,A9BC5_mC60_5_9c_c_5c:H-Na-O,30.0,"Invalid WP multiplicities - A9BC5_mC60_5_17c_c_5c:H-Na-O, expected NaH17O5 to be NaH9O5" +mp-505077,NaH9O5,-5.1075886068,-1.3348883899,0.0133021778,0.0113511896,GGA,P2_12_12_1,A9BC5_oP60_19_9a_a_5a:H-Na-O,60.0,A9BC5_oP60_19_9a_a_5a:H-Na-O +mp-625391,NaH3O2,-5.0052400277,-1.4395598859,0.0029580321,-0.0148516529,GGA,P2_1/c,A3BC2_mP48_14_6e_2e_4e:H-Na-O,48.0,"Invalid WP multiplicities - A3BC2_mP48_14_20e_5e_10e:H-Na-O, expected Na(H2O)2 to be NaH3O2" +mp-24193,NaH3O2,-5.0081980598,-1.442517918,0.0,-0.017809685,GGA,Pbca,A3BC2_oP48_61_3c_c_2c:H-Na-O,48.0,"Invalid WP multiplicities - A3BC2_oP48_61_3c_c_4c:H-Na-O, expected NaH3O4 to be NaH3O2" +mp-626000,NaHO,-4.7728843583,-1.5522376751,0.0,-0.1109058051,GGA,P2_1,ABC_mP6_4_a_a_a:H-Na-O,6.0,ABC_mP6_4_a_a_a:H-Na-O +mp-625996,NaHO,-4.7024030983,-1.4817564151,0.07048126,-0.0404245451,GGA,Pm,ABC_mP6_6_ab_ab_ab:H-Na-O,6.0,ABC_mP6_6_ab_ab_ab:H-Na-O +mp-626506,NaHO,-4.7008244067,-1.4801777234,0.0720599517,-0.0388458535,GGA,Cm,ABC_mC12_8_2a_2a_2a:H-Na-O,6.0,ABC_mC12_8_2a_2a_2a:H-Na-O +mp-23940,NaHO,-4.771060815,-1.5504141318,0.0018235433,-0.1090822618,GGA,P2_1/m,ABC_mP6_11_e_e_e:H-Na-O,6.0,ABC_mP6_11_e_e_e:H-Na-O +mp-626778,NaHO,-4.7605073442,-1.5398606609,0.0123770142,-0.098528791,GGA,Pbcm,ABC_oP12_57_d_c_d:H-Na-O,12.0,ABC_oP12_57_d_c_d:H-Na-O +mp-23891,NaHO,-4.77205851,-1.5514118268,0.0008258483,-0.1100799568,GGA,Cmcm,ABC_oC12_63_c_c_c:H-Na-O,6.0,ABC_oC12_63_c_c_c:H-Na-O +mp-1179949,NaHO,-4.7589196492,-1.5382729659,0.0139647092,-0.096941096,GGA,P4/nmm,ABC_tP6_129_c_a_c:H-Na-O,12.0,ABC_tP6_129_c_a_c:H-Na-O +mp-625051,NaHO,-4.7253123633000005,-1.5046656801,0.047571995,-0.0633338101,GGA,R3m,ABC_hR9_160_a_a_a:H-Na-O,3.0,ABC_hR9_160_a_a_a:H-Na-O +mp-863011,Na3H7Os,-3.9205459698,-0.3801800038,0.0,-0.2304061407,GGA,P4_2/mnm,A7B3C_tP44_136_fi2j_gi_f:H-Na-Os,44.0,A7B3C_tP44_136_fi2j_gi_f:H-Na-Os +mp-1191727,Na3H2OsO6,-5.9892577454,-1.6842137731,0.0,-0.0212882983,GGA,P2_1/m,A2B3C6D_mP24_11_f_ef_2e2f_e:H-Na-O-Os,24.0,A2B3C6D_mP24_11_f_ef_2e2f_e:H-Na-O-Os +mp-733637,NaH8O5,-5.1074604266,-1.3076191973,0.0,-0.0008406249,GGA,C2/c,A8BC5_mC112_15_8f_f_5f:H-Na-O,56.0,A8BC5_mC112_15_8f_f_5f:H-Na-O +mp-1201186,NaH15O8,-5.1339063354,-1.3094510996,0.0139382628,0.0139382628,GGA,P2_1/c,A15BC8_mP96_14_15e_e_8e:H-Na-O,96.0,A15BC8_mP96_14_15e_e_8e:H-Na-O +mp-505185,Na2H16O9,-5.1034600838,-1.3460946872,0.0090830916,0.0090830916,GGA,P2_1/c,A16B2C9_mP108_14_16e_2e_9e:H-Na-O,108.0,A16B2C9_mP108_14_16e_2e_9e:H-Na-O +mp-765350,LaHSe3O10,-6.1968483617,-1.6446247153,0.0,-0.0396192855,GGA,Pbca,ABC10D3_oP120_61_c_c_10c_3c:H-La-O-Se,120.0,"Invalid WP multiplicities - ABC10D3_oP120_61_c_c_37c_9c:H-La-O-Se, expected LaHSe9O37 to be LaHSe3O10" +mp-1212028,LaHSe2O7,-6.403823502,-1.863152858,0.0,-0.0054086619,GGA,P2_1,ABC7D2_mP44_4_2a_2a_14a_4a:H-La-O-Se,44.0,ABC7D2_mP44_4_2a_2a_14a_4a:H-La-O-Se +mp-546672,LaBi2IO4,-6.555715865,-2.321077545,0.0,-0.0632559523,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-I-La-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-I-La-O +mp-7148,K2SrTa2O7,-8.3402729825,-3.1525506837,0.0,-0.074283375,GGA,I4/mmm,A2B7CD2_tI24_139_e_aeg_b_e:K-O-Sr-Ta,12.0,A2B7CD2_tI24_139_e_aeg_b_e:K-O-Sr-Ta +mp-1196945,Cd3B4(PbO4)3,-6.683908377,-2.1391610085,0.0,-0.0202594437,GGA,P6_3/m,A4B3C12D3_hP44_176_ch_g_2hi_h:B-Cd-O-Pb,44.0,A4B3C12D3_hP44_176_ch_g_2hi_h:B-Cd-O-Pb +mp-1194787,Cd2B6PbO12,-7.4890848663,-2.4893209735,0.0033353986,0.0033353986,GGA,P2_1/c,A6B2C12D_mP84_14_6e_2e_12e_e:B-Cd-O-Pb,84.0,A6B2C12D_mP84_14_6e_2e_12e_e:B-Cd-O-Pb +mp-1185015,KNpO3,-8.897647024,-3.1179980716,0.0,-0.00943084,GGA,Pm-3m,ABC3_cP5_221_a_b_c:K-Np-O,5.0,ABC3_cP5_221_a_b_c:K-Np-O +mp-1192453,K3NpO8,-6.4326612917,-1.7782874406,0.1586801494,0.1586801494,GGA,P2_1/c,A3BC8_mP24_14_ae_c_4e:K-Np-O,24.0,A3BC8_mP24_14_ae_c_4e:K-Np-O +mp-558722,K3Np(MoO5)2,-7.939234865,-2.4744121241,0.0,-0.0152164653,GGA+U,P-1,A3B2CD10_aP32_2_3i_2i_i_10i:K-Mo-Np-O,32.0,"Invalid WP multiplicities - A3B2CD10_aP32_2_5i_4i_i_20i:K-Mo-Np-O, expected K5Np(MoO5)4 to be K3Np(MoO5)2" +mp-1025162,K2NpO4,-7.8906925157,-2.8970735985,0.0,-0.2996234364,GGA,I4/mmm,A2BC4_tI14_139_e_a_ce:K-Np-O,7.0,A2BC4_tI14_139_e_a_ce:K-Np-O +mp-2223086,MgV2(AuS2)2,-5.7094362444,-0.9470300603,0.1318334414,0.1318334414,GGA,P3m1,A2BC4D2_hP9_156_2a_b_4a_bc:Au-Mg-S-V,9.0,A2BC4D2_hP9_156_2a_b_4a_bc:Au-Mg-S-V +mp-2240167,MgV2(AuS2)2,-5.7030391178,-0.9406329336,0.1382305681,0.1382305681,GGA,P3m1,A2BC4D2_hP9_156_2a_b_4a_bc:Au-Mg-S-V,9.0,A2BC4D2_hP9_156_2a_b_4a_bc:Au-Mg-S-V +mp-15750,TaAgP4O13,-7.8908521876,-2.5934576136,0.0,-0.0325635318,GGA,P2_12_12_1,AB13C4D_oP76_19_a_13a_4a_a:Ag-O-P-Ta,76.0,"Invalid WP multiplicities - AB13C4D_oP76_19_a_16a_4a_a:Ag-O-P-Ta, expected TaAg(PO4)4 to be TaAgP4O13" +mp-1040790,Ba2V2F11,-6.3223694029,-3.4535673587,0.0724751208,0.0724751208,GGA+U,P3_2,A2B11C2_hP45_145_2a_11a_2a:Ba-F-V,45.0,"Invalid WP multiplicities - A2B11C2_hP45_145_5a_31a_5a:Ba-F-V, expected Ba5V5F31 to be Ba2V2F11" +mp-1248567,AlVF5,-6.6730295543,-3.4749043061,0.0224296036,0.0224296036,GGA+U,Immm,AB5C_oI14_71_a_ceg_b:Al-F-V,7.0,AB5C_oI14_71_a_ceg_b:Al-F-V +mp-1044800,Ba2AlV2F11,-6.5594092906,-3.6358088848,0.0440822634,0.0440822634,GGA+U,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-V,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-V, expected Ba5AlV5F31 to be Ba2AlV2F11" +mp-779332,B2TeO6,-7.1937516292,-2.0623936622,0.0892329921,0.0892329921,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:B-O-Te,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_7e_21e_e:B-O-Te, expected B7TeO21 to be B2TeO6" +mp-1183194,BTeO3,-5.755480568,-0.8229278084,1.249479915,1.249479915,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Te,5.0,AB3C_cP5_221_b_c_a:B-O-Te +mp-769383,RbB3Te2O9,-6.9747742107,-2.1864062391,0.0961419676,0.0961419676,GGA,P2/c,A3B9CD2_mP30_13_eg_e4g_f_g:B-O-Rb-Te,30.0,"Invalid WP multiplicities - A3B9CD2_mP30_13_e2g_e8g_f_g:B-O-Rb-Te, expected RbB5Te2O17 to be RbB3Te2O9" +mp-768235,B2TeO5,-7.4026503769,-2.248208753,0.0618851179,0.0618851179,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:B-O-Te,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_7f_17f_f:B-O-Te, expected B7TeO17 to be B2TeO5" +mp-1227260,CaBiNO5,-6.5708922213,-1.7063887848,0.0935958786,0.0935958786,GGA,Imm2,ABCD5_oI16_44_a_a_a_a2bc:Bi-Ca-N-O,8.0,ABCD5_oI16_44_a_a_a_a2bc:Bi-Ca-N-O +mp-1247314,Ca2BiN3,-5.7381243821,-0.2612621046,0.4445864981,0.4445864981,GGA,Cmce,AB2C3_oC48_64_f_2f_e2f:Bi-Ca-N,24.0,AB2C3_oC48_64_f_2f_e2f:Bi-Ca-N +mp-1013542,Ca3BiN,-2.982163932,0.656592807,1.752558042,1.5484657071,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-Ca-N,5.0,AB3C_cP5_221_b_c_a:Bi-Ca-N +mp-31149,Ca3BiN,-4.734721974,-1.095965235,0.0,-0.2040923349,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-Ca-N,5.0,AB3C_cP5_221_a_c_b:Bi-Ca-N +mp-1245428,Ca3Bi3N5,-5.614652735,-0.2309489482,0.357898756,0.357898756,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Bi-Ca-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Bi-Ca-N +mp-1246566,Ca3(BiN2)2,-5.6567810806,-0.4296969028,0.2622975531,0.2622975531,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Bi-Ca-N,18.0,A2B3C4_mC36_15_f_ef_2f:Bi-Ca-N +mp-1218094,Ta6V3Co3C2,-10.2602055918,-0.3901578518,0.0,-0.0068245201,GGA,Imm2,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Co-Ta-V,28.0,A2B3C6D3_oI56_44_cd_2cd_2a2b2e_c2d:C-Co-Ta-V +mp-1217850,TaVCo,-9.56681136,-0.2168108617,0.0095213901,0.0095213901,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Ta-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Ta-V, expected Ta3(VCo)2 to be TaVCo" +mp-1219562,Sb8I2O11,-5.8610879243,-1.5566918079,0.0743476354,0.0743476354,GGA,P1,A2B11C8_aP21_1_2a_11a_8a:I-O-Sb,21.0,A2B11C8_aP21_1_2a_11a_8a:I-O-Sb +mp-1196009,Mn3Sb5(IO3)3,-6.5223277388,-1.6687602624,0.0,-0.0129727874,GGA+U,P-1,A3B3C9D5_aP40_2_3i_3i_9i_5i:I-Mn-O-Sb,40.0,A3B3C9D5_aP40_2_3i_3i_9i_5i:I-Mn-O-Sb +mp-1192087,Sb4IO6,-5.9063378986,-1.5727466643,0.0872243407,0.0872243407,GGA,C2/m,AB6C4_mC44_12_i_6i_4i:I-O-Sb,22.0,AB6C4_mC44_12_i_6i_4i:I-O-Sb +mp-1193915,Mn3Sb2(IO)4,-6.1915633392,-1.4666196007,0.0,-0.0296913468,GGA+U,Cmce,A4B3C4D2_oC52_64_2f_ae_df_f:I-Mn-O-Sb,26.0,A4B3C4D2_oC52_64_2f_ae_df_f:I-Mn-O-Sb +mp-772282,Sb4I2O5,-5.5253341023,-1.5074994462,0.0027064117,0.0027064117,GGA,P2_1/c,A2B5C4_mP22_14_e_a2e_2e:I-O-Sb,22.0,A2B5C4_mP22_14_e_a2e_2e:I-O-Sb +mp-1173640,Sb3IO4,-5.6306971008,-1.4248064864,0.1682762584,0.1592559073,GGA,P2_1/c,AB4C3_mP64_14_2e_8e_6e:I-O-Sb,64.0,"Invalid WP multiplicities - AB4C3_mP64_14_5e_29e_21e:I-O-Sb, expected Sb21I5O29 to be Sb3IO4" +mp-1209250,Sb3IO4,-5.7981653325,-1.5922747181,0.0008080267,-0.0082123244,GGA,P2_1/c,AB4C3_mP64_14_2e_8e_6e:I-O-Sb,64.0,AB4C3_mP64_14_2e_8e_6e:I-O-Sb +mp-1209215,Sb3IO4,-5.7989733592,-1.5930827448,0.0,-0.0090203511,GGA,Pna2_1,AB4C3_oP64_33_2a_8a_6a:I-O-Sb,64.0,AB4C3_oP64_33_2a_8a_6a:I-O-Sb +mp-1192820,Mn2Sb3I3O5,-6.1545817646,-1.54961431,0.0,-0.0022933203,GGA+U,P-1,A3B2C5D3_aP26_2_3i_2i_5i_3i:I-Mn-O-Sb,26.0,"Invalid WP multiplicities - A3B2C5D3_aP26_2_3i_4i_5i_3i:I-Mn-O-Sb, expected Mn4Sb3I3O5 to be Mn2Sb3I3O5" +mp-680772,Sb5IO7,-5.7887845044,-1.4237696176,0.2306277939,0.2306277939,GGA,Pc,AB7C5_mP52_7_2a_14a_10a:I-O-Sb,52.0,"Invalid WP multiplicities - AB7C5_mP52_7_3a_28a_19a:I-O-Sb, expected Sb19I3O28 to be Sb5IO7" +mp-1196640,Sb5IO7,-5.9153022785000005,-1.5502873916,0.1041100199,0.1041100199,GGA,Pc,AB7C5_mP52_7_2a_14a_10a:I-O-Sb,52.0,AB7C5_mP52_7_2a_14a_10a:I-O-Sb +mp-1238942,Sb5IO7,-5.9124138098,-1.547398923,0.1069984886,0.1069984886,GGA,Pc,AB7C5_mP52_7_2a_14a_10a:I-O-Sb,52.0,AB7C5_mP52_7_2a_14a_10a:I-O-Sb +mp-556869,Sb5IO7,-6.0048618058,-1.6398469189,0.0145504926,0.0145504926,GGA,P2_1/c,AB7C5_mP52_14_e_7e_5e:I-O-Sb,52.0,"Invalid WP multiplicities - AB7C5_mP52_14_e_27e_18e:I-O-Sb, expected Sb18IO27 to be Sb5IO7" +mp-1195086,Sb5IO7,-6.0007890683,-1.6357741814,0.0186232301,0.0186232301,GGA,Pnn2,AB7C5_oP52_34_ab_7c_5c:I-O-Sb,52.0,"Invalid WP multiplicities - AB7C5_oP52_34_ab_12c_9c:I-O-Sb, expected Sb9IO12 to be Sb5IO7" +mp-28485,Sb5IO7,-5.9960683381,-1.6310534512,0.0233439603,0.0233439603,GGA,P-62c,AB7C5_hP26_190_a_ci_fh:I-O-Sb,26.0,AB7C5_hP26_190_a_ci_fh:I-O-Sb +mp-1191492,LaPS,-6.6469830058,-1.818396513,0.0,-0.0608573925,GGA,Pnma,ABC_oP24_62_2c_d_2c:La-P-S,24.0,ABC_oP24_62_2c_d_2c:La-P-S +mp-35714,La5TlS8,-6.5661753614,-2.2708698181,0.0110258015,0.0110258015,GGA,I-4,A5B8C_tI28_82_ag_2g_c:La-S-Tl,14.0,"Invalid WP multiplicities - A5B8C_tI28_82_a2g_4g_c:La-S-Tl, expected La9TlS16 to be La5TlS8" +mp-560571,LaPS4,-5.9544607233,-1.4719425435,0.0,-0.1184173561,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:La-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_a2b_e_15g:La-P-S, expected La3(PS30)2 to be LaPS4" +mp-1195614,LaTl(PS3)2,-5.4393065752,-1.1449111286,0.0,-0.0188077073,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:La-P-S-Tl,40.0,AB2C6D_mP40_14_e_2e_6e_e:La-P-S-Tl +mp-1190334,LaTl2P2S7,-5.1929668675,-1.0727129109,0.0,-0.0021485657,GGA,C2/m,AB2C7D2_mC48_12_i_2i_3i2j_2i:La-P-S-Tl,24.0,AB2C7D2_mC48_12_i_2i_3i2j_2i:La-P-S-Tl +mp-1190539,TlCuPS3,-4.6441248146,-0.5967078273,0.0,-0.0156244239,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cu-P-S-Tl,24.0,ABC3D_mP24_14_e_e_3e_e:Cu-P-S-Tl +mp-4138,Rb2CO3,-6.4237101258,-2.085410164,0.0,-0.3983870168,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:C-O-Rb,24.0,AB3C2_mP24_14_e_3e_2e:C-O-Rb +mp-555692,Rb2CO3,-6.4221352433,-2.0838352815,0.0015748825,-0.3968121343,GGA,Pnma,AB3C2_oP24_62_c_cd_2c:C-O-Rb,24.0,"Invalid WP multiplicities - AB3C2_oP24_62_c_3c4d_6c:C-O-Rb, expected Rb6CO11 to be Rb2CO3" +mp-9842,RbSm(CO3)2,-7.9408769745,-2.5572186285000003,0.0,-0.1692618492,GGA,C2/c,A2B6CD_mC40_15_f_3f_e_e:C-O-Rb-Sm,20.0,A2B6CD_mC40_15_f_3f_e_e:C-O-Rb-Sm +mp-674325,Rb4CO6,-5.1807094282,-1.2869881509,0.3401978377,0.3401978377,GGA,P1,AB6C4_aP11_1_a_6a_4a:C-O-Rb,11.0,AB6C4_aP11_1_a_6a_4a:C-O-Rb +mp-546810,Rb(CO)2,-7.186186737,-1.319938241,0.1975550637,0.1975550637,GGA,C2/m,A2B2C_mC20_12_j_j_i:C-O-Rb,10.0,A2B2C_mC20_12_j_j_i:C-O-Rb +mp-555512,RbCO2,-6.9225108778,-1.8968666309,0.0,-0.0008695208,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:C-O-Rb,32.0,"Invalid WP multiplicities - AB2C_mP32_14_5e_12e_6e:C-O-Rb, expected Rb6C5O12 to be RbCO2" +mp-556872,RbCO2,-6.9159830931,-1.8903388462,0.0065277847,0.0056582639,GGA,Pbam,AB2C_oP16_55_g_2g_h:C-O-Rb,16.0,"Invalid WP multiplicities - AB2C_oP16_55_g_4g_h:C-O-Rb, expected RbCO4 to be RbCO2" +mp-1209669,Rb4C2O9,-5.8321684257,-1.3721907139,0.2961374173,0.2961374173,GGA,C2/c,A2B9C4_mC60_15_f_e4f_2ef:C-O-Rb,30.0,A2B9C4_mC60_15_f_e4f_2ef:C-O-Rb +mp-1191822,SmCO4,-8.0731043533,-2.4507699412,0.0653737958,0.0438669594,GGA,Pnma,AB4C_oP24_62_c_2cd_c:C-O-Sm,24.0,AB4C_oP24_62_c_2cd_c:C-O-Sm +mp-1201399,SmCO4,-8.138478149200001,-2.5161437371,0.0,-0.0215068365,GGA,P-6,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Sm,108.0,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Sm +mp-1209290,SmCO4,-8.1302605634,-2.5079261513,0.0082175857,-0.0132892507,GGA,P-6,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Sm,108.0,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Sm +mp-676534,Rb8C4O7,-4.9148343089,-0.7366366495000001,0.804000359,0.804000359,GGA,Pm,A4B7C8_mP19_6_abc_a3c_ab3c:C-O-Rb,19.0,A4B7C8_mP19_6_abc_a3c_ab3c:C-O-Rb +mp-556527,Rb4CO4,-5.2321852511,-1.5724567369,0.1956808628,0.1956808628,GGA,P2_1,AB4C4_mP18_4_a_4a_4a:C-O-Rb,18.0,"Invalid WP multiplicities - AB4C4_mP18_4_a_7a_8a:C-O-Rb, expected Rb8CO7 to be Rb4CO4" +mp-551176,Rb4CO4,-5.2238817744,-1.5641532603,0.2039843394,0.2039843394,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-O-Rb,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_3c_3c:C-O-Rb, expected Rb6CO6 to be Rb4CO4" +mp-551267,Rb4CO4,-5.1710312167,-1.5113027025,0.2568348972,0.2568348972,GGA,Cm,AB4C4_mC18_8_a_2ab_2b:C-O-Rb,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2ab_4b:C-O-Rb, expected Rb8CO4 to be Rb4CO4" +mp-551437,Rb4CO4,-5.2052227933,-1.5454942792000002,0.2226433206,0.2226433206,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-O-Rb,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2a2b_2ab:C-O-Rb, expected Rb4CO6 to be Rb4CO4" +mp-550679,Rb4CO4,-5.2273687433,-1.5676402292,0.2004973706,0.2004973706,GGA,I222,AB4C4_oI18_23_a_k_k:C-O-Rb,9.0,AB4C4_oI18_23_a_k_k:C-O-Rb +mp-645300,Rb4CO4,-4.6804629289,-1.0207344147,0.747403185,0.747403185,GGA,Amm2,AB4C4_oC18_38_a_cd_ce:C-O-Rb,9.0,"Invalid WP multiplicities - AB4C4_oC18_38_a_2cd_2ce:C-O-Rb, expected Rb6CO6 to be Rb4CO4" +mp-552966,Rb4CO4,-5.1728991611,-1.5131706469,0.2549669528,0.2549669528,GGA,P-4,AB4C4_tP9_81_a_h_h:C-O-Rb,9.0,AB4C4_tP9_81_a_h_h:C-O-Rb +mp-545760,Rb4CO4,-5.2209062244,-1.5611777103,0.2069598894,0.2069598894,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-O-Rb,9.0,AB4C4_tI18_121_a_i_i:C-O-Rb +mp-547898,Rb4CO4,-5.2253492022,-1.5656206881,0.2025169117,0.2025169117,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-O-Rb,9.0,AB4C4_tI18_121_a_i_i:C-O-Rb +mp-550314,Rb4CO4,-5.1630075056,-1.5032789914,0.2648586083,0.2648586083,GGA,R3,AB4C4_hR27_146_a_ab_ab:C-O-Rb,9.0,AB4C4_hR27_146_a_ab_ab:C-O-Rb +mp-551690,Rb4CO4,-5.1387971156,-1.4790686014,0.2890689983,0.2890689983,GGA,R3m,AB4C4_hR27_160_a_ab_ab:C-O-Rb,9.0,"Invalid WP multiplicities - AB4C4_hR27_160_a_a2b_ab:C-O-Rb, expected Rb4CO7 to be Rb4CO4" +mp-546320,Rb4CO4,-5.1634552833,-1.5037267692,0.2644108306,0.2644108306,GGA,P-43m,AB4C4_cP9_215_a_e_e:C-O-Rb,9.0,AB4C4_cP9_215_a_e_e:C-O-Rb +mp-31271,RbCO3,-6.7352210383,-1.7253678985,0.0569813794,0.0569813794,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:C-O-Rb,40.0,AB3C_mP40_14_2e_6e_2e:C-O-Rb +mp-1202258,Nd2Nb2S7O30,-7.3181852822,-2.2670946639,0.0,-0.0084615361,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Nb-Nd-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Nb-Nd-O-S +mp-556107,Nd6Nb5S16,-7.3667885317,-1.9853586181,0.0,-0.0537106909,GGA,Amm2,A5B6C16_oC108_38_ab2d2e_2c2f_4c6f:Nb-Nd-S,54.0,"Invalid WP multiplicities - A5B6C16_oC108_38_ab3d4e_3c5f_8c23f:Nb-Nd-S, expected Nd13(Nb4S27)2 to be Nd6Nb5S16" +mp-753979,Sn2P2O7,-7.1821354809,-2.3209927807,0.0493328836,0.0317836162,GGA,P-1,A7B2C2_aP22_2_7i_2i_2i:O-P-Sn,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:O-P-Sn, expected Sn3P3O13 to be Sn2P2O7" +mp-767140,Sn2P2O7,-7.1945805359,-2.3334378357,0.0368878286,0.0193385612,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-P-Sn,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_27i_7i_7i:O-P-Sn, expected Sn7P7O27 to be Sn2P2O7" +mp-554022,Sn2P2O7,-7.2314683645,-2.3703256644,0.0,-0.0175492674,GGA,P-1,A7B2C2_aP44_2_14i_4i_4i:O-P-Sn,44.0,"Invalid WP multiplicities - A7B2C2_aP44_2_25i_6i_7i:O-P-Sn, expected Sn7P6O25 to be Sn2P2O7" +mp-768330,Sn2P2O7,-7.1523940706,-2.2912513704,0.0790742939,0.0615250266,GGA,Cc,A7B2C2_mC132_9_21a_6a_6a:O-P-Sn,66.0,"Invalid WP multiplicities - A7B2C2_mC132_15_2e37f_9f_9f:O-P-Sn, expected Sn9P9O38 to be Sn2P2O7" +mp-767134,Sn2P2O7,-7.1975993973,-2.3364566971,0.0338689673,0.0163196999,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-P-Sn,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_23e_3e_5e:O-P-Sn, expected Sn5P3O23 to be Sn2P2O7" +mp-556031,Sn2P2O7,-7.2192166173,-2.3580739171,0.0122517473,-0.0052975201,GGA,P2_1/c,A7B2C2_mP22_14_a3e_e_e:O-P-Sn,22.0,"Invalid WP multiplicities - A7B2C2_mP22_14_2a10e_e_e:O-P-Sn, expected SnPO11 to be Sn2P2O7" +mp-755619,Sn2P2O7,-7.1732099477,-2.3120672475,0.0582584168,0.0407091494,GGA,C2/c,A7B2C2_mC44_15_e3f_f_f:O-P-Sn,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_2e11f_f_f:O-P-Sn, expected SnPO12 to be Sn2P2O7" +mp-1101386,Sn2P2O7,-7.1715243439,-2.3103816438,0.0599440206,0.0423947532,GGA,C2/c,A7B2C2_mC132_15_e10f_3f_3f:O-P-Sn,66.0,"Invalid WP multiplicities - A7B2C2_mC132_15_2e37f_9f_9f:O-P-Sn, expected Sn9P9O38 to be Sn2P2O7" +mp-774335,Sn2P2O7,-7.183705906,-2.3225632058,0.0477624585,0.0302131911,GGA,P4_1,A7B2C2_tP88_76_14a_4a_4a:O-P-Sn,88.0,"Invalid WP multiplicities - A7B2C2_tP88_76_53a_13a_15a:O-P-Sn, expected Sn15P13O53 to be Sn2P2O7" +mp-560715,Sn5(PO5)2,-6.8726511271,-2.14668928,0.0,-0.0061715346,GGA,P-1,A10B2C5_aP34_2_10i_2i_5i:O-P-Sn,34.0,"Invalid WP multiplicities - A10B2C5_aP34_2_17i_2i_10i:O-P-Sn, expected Sn10P2O17 to be Sn5(PO5)2" +mp-22821,SnP2PbO8,-7.2939850031,-2.4504572008,0.0,-0.0251623521,GGA,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:O-P-Pb-Sn,48.0,A8B2CD_mP48_14_8e_2e_e_e:O-P-Pb-Sn +mp-672972,Sn(PO3)3,-7.4151641517,-2.4328812459,0.0513671774,0.0513671774,GGA,P-1,A9B3C_aP52_2_18i_6i_2i:O-P-Sn,52.0,"Invalid WP multiplicities - A9B3C_aP52_2_35i_10i_2i:O-P-Sn, expected Sn2(P2O7)5 to be Sn(PO3)3" +mp-26172,Sn(PO3)3,-7.3784754354,-2.3961925295,0.0880558937,0.0880558937,GGA,P-1,A9B3C_aP26_2_9i_3i_i:O-P-Sn,26.0,"Invalid WP multiplicities - A9B3C_aP26_2_17i_4i_i:O-P-Sn, expected SnP4O17 to be Sn(PO3)3" +mp-765595,Sn(PO3)3,-7.3947297302,-2.4124468243,0.0718015989,0.0718015989,GGA,P2_12_12_1,A9B3C_oP52_19_9a_3a_a:O-P-Sn,52.0,"Invalid WP multiplicities - A9B3C_oP52_19_33a_9a_a:O-P-Sn, expected Sn(P3O11)3 to be Sn(PO3)3" +mp-684482,Sn(PO3)3,-7.3414333977,-2.3591504918,0.1250979314,0.1250979314,GGA,P2_12_12_1,A9B3C_oP52_19_9a_3a_a:O-P-Sn,52.0,"Invalid WP multiplicities - A9B3C_oP52_19_34a_12a_a:O-P-Sn, expected Sn(P6O17)2 to be Sn(PO3)3" +mp-26762,Sn(PO3)3,-7.4059500333,-2.4236671274,0.0605812959,0.0605812959,GGA,P2_12_12_1,A9B3C_oP52_19_9a_3a_a:O-P-Sn,52.0,"Invalid WP multiplicities - A9B3C_oP52_19_33a_9a_a:O-P-Sn, expected Sn(P3O11)3 to be Sn(PO3)3" +mp-1101518,Sn(PO3)3,-7.4568836558,-2.4746007499,0.0096476734,0.0096476734,GGA,P312,A9B3C_hP26_149_3l_l_ab:O-P-Sn,26.0,"Invalid WP multiplicities - A9B3C_hP26_149_14l_l_ab:O-P-Sn, expected Sn(PO14)3 to be Sn(PO3)3" +mp-673129,Sn(PO3)3,-7.40758796,-2.4253050541,0.0589433691,0.0589433691,GGA,P-6c2,A9B3C_hP26_188_kl_k_a:O-P-Sn,26.0,"Invalid WP multiplicities - A9B3C_hP26_188_4k4l_k_a:O-P-Sn, expected Sn(PO12)3 to be Sn(PO3)3" +mp-1198177,Sn2PO5,-6.9076377444,-2.1369015228,0.125125857,0.125125857,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:O-P-Sn,32.0,A5BC2_mP32_14_5e_e_2e:O-P-Sn +mp-1044829,Sn2P2O9,-7.2463818319,-2.372078207,0.0589721508,0.0589721508,GGA,Pnma,A9B2C2_oP52_62_5c2d_2c_ac:O-P-Sn,52.0,"Invalid WP multiplicities - A9B2C2_oP52_62_7c2d_2c_ac:O-P-Sn, expected Sn2P2O11 to be Sn2P2O9" +mp-1101413,Sn4P2O9,-6.891829253,-2.1328231974,0.0792156437,0.0792156437,GGA,P-1,A9B2C4_aP30_2_9i_2i_4i:O-P-Sn,30.0,"Invalid WP multiplicities - A9B2C4_aP30_2_17i_3i_7i:O-P-Sn, expected Sn7P3O17 to be Sn4P2O9" +mp-766979,Sn4P2O9,-6.945232219,-2.1862261634,0.0258126777,0.0258126777,GGA,P2_1/c,A9B2C4_mP60_14_9e_2e_4e:O-P-Sn,60.0,"Invalid WP multiplicities - A9B2C4_mP60_14_35e_3e_13e:O-P-Sn, expected Sn13P3O35 to be Sn4P2O9" +mp-561545,Sn4P2O9,-6.9649748527,-2.205968797,0.0060700441,0.0060700441,GGA,P2_1/c,A9B2C4_mP60_14_9e_2e_4e:O-P-Sn,60.0,"Invalid WP multiplicities - A9B2C4_mP60_14_24e_4e_14e:O-P-Sn, expected Sn7(PO6)2 to be Sn4P2O9" +mp-766929,Sn4P2O9,-6.8829785125,-2.1239724569,0.0880663842,0.0880663842,GGA,Pnma,A9B2C4_oP60_62_5c2d_2c_2cd:O-P-Sn,60.0,"Invalid WP multiplicities - A9B2C4_oP60_62_18c7d_5c_7c2d:O-P-Sn, expected Sn11P5O32 to be Sn4P2O9" +mp-26944,Sn2P3O10,-7.2780737933,-2.3630112372,0.0785180833,0.0785180833,GGA,P2_1/m,A10B3C2_mP30_11_4e3f_3e_f:O-P-Sn,30.0,"Invalid WP multiplicities - A10B3C2_mP30_11_7e6f_5e_f:O-P-Sn, expected Sn2P5O19 to be Sn2P3O10" +mp-684502,Sn2P3O10,-7.2290774145,-2.3140148583,0.1275144622,0.1275144622,GGA,P2_1/c,A10B3C2_mP60_14_10e_3e_2e:O-P-Sn,60.0,"Invalid WP multiplicities - A10B3C2_mP60_14_37e_9e_4e:O-P-Sn, expected Sn4P9O37 to be Sn2P3O10" +mp-673117,Sn2P3O10,-7.194316313,-2.2792537568,0.1622755637,0.1622755637,GGA,C2/c,A10B3C2_mC60_15_5f_ef_f:O-P-Sn,30.0,"Invalid WP multiplicities - A10B3C2_mC60_15_20f_2e2f_f:O-P-Sn, expected SnP3O20 to be Sn2P3O10" +mp-1101484,Sn2P3O10,-7.213010197,-2.2979476408,0.1435816797,0.1435816797,GGA,C2/c,A10B3C2_mC60_15_5f_ef_f:O-P-Sn,30.0,"Invalid WP multiplicities - A10B3C2_mC60_15_17f_2e3f_f:O-P-Sn, expected SnP4O17 to be Sn2P3O10" +mp-673078,SnPO4,-7.1047707258,-2.2364991914,0.1732165356,0.1732165356,GGA,Cc,A4BC_mC72_9_12a_3a_3a:O-P-Sn,36.0,"Invalid WP multiplicities - A4BC_mC72_9_23a_5a_6a:O-P-Sn, expected Sn6P5O23 to be SnPO4" +mp-672986,SnPO4,-6.9942511921,-2.1259796576,0.2837360694,0.2837360694,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Sn,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:O-P-Sn, expected SnPO13 to be SnPO4" +mp-1179348,SnPO4,-7.0530665625,-2.1847950281,0.224920699,0.224920699,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Sn,24.0,A4BC_mP24_14_4e_e_e:O-P-Sn +mp-27018,SnPO4,-7.2225997527,-2.3543282183,0.0553875087,0.0553875087,GGA,Pna2_1,A4BC_oP48_33_8a_2a_2a:O-P-Sn,48.0,"Invalid WP multiplicities - A4BC_oP48_33_29a_5a_5a:O-P-Sn, expected Sn5P5O29 to be SnPO4" +mp-673118,Sn3(P2O7)2,-7.2816016648,-2.3799079719,0.0654370926,0.0654370926,GGA,P-1,A14B4C3_aP21_2_7i_2i_ai:O-P-Sn,21.0,"Invalid WP multiplicities - A14B4C3_aP21_2_13i_3i_ai:O-P-Sn, expected Sn3(P3O13)2 to be Sn3(P2O7)2" +mp-1047057,Sn3(P2O7)2,-7.3187329314,-2.4170392386,0.028305826,0.028305826,GGA,P2_1/c,A14B4C3_mP42_14_7e_2e_ae:O-P-Sn,42.0,"Invalid WP multiplicities - A14B4C3_mP42_14_27e_3e_2a2e:O-P-Sn, expected SnPO9 to be Sn3(P2O7)2" +mp-767365,SnP4O11,-7.4454122797,-2.4406399231,0.0163472617,-0.0030672872,GGA,P-1,A11B4C_aP64_2_22i_8i_2i:O-P-Sn,64.0,"Invalid WP multiplicities - A11B4C_aP64_2_43i_15i_3i:O-P-Sn, expected Sn3P15O43 to be SnP4O11" +mp-767114,SnP4O11,-7.4617595414,-2.4569871848,0.0,-0.0194145489,GGA,P2_1/c,A11B4C_mP64_14_11e_4e_e:O-P-Sn,64.0,"Invalid WP multiplicities - A11B4C_mP64_14_41e_13e_e:O-P-Sn, expected SnP13O41 to be SnP4O11" +mp-1101467,SnP4O11,-7.4492342986,-2.444461942,0.0125252428,-0.0068893061,GGA,P2_1/c,A11B4C_mP64_14_11e_4e_e:O-P-Sn,64.0,"Invalid WP multiplicities - A11B4C_mP64_14_43e_15e_e:O-P-Sn, expected SnP15O43 to be SnP4O11" +mp-757131,Sn(PO3)4,-7.4678717841,-2.4665161125,0.0250747765,0.0250747765,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Sn,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_23f_5f_e:O-P-Sn, expected Sn(P5O23)2 to be Sn(PO3)4" +mp-757156,Sn(PO3)4,-7.46156771,-2.4602120384,0.0313788506,0.0313788506,GGA,C2/c,A12B4C_mC68_15_6f_2f_c:O-P-Sn,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_4f_c:O-P-Sn, expected Sn(P4O19)2 to be Sn(PO3)4" +mp-757495,Sn(PO3)4,-7.4494873059,-2.4481316343,0.0434592547,0.0434592547,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Sn,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_17f_7f_e:O-P-Sn, expected Sn(P7O17)2 to be Sn(PO3)4" +mp-25908,Sn(PO3)4,-7.4884403371,-2.4870846655,0.0045062235,0.0045062235,GGA,Pbcn,A12B4C_oP68_60_6d_2d_c:O-P-Sn,68.0,"Invalid WP multiplicities - A12B4C_oP68_60_21d_5d_c:O-P-Sn, expected Sn(P5O21)2 to be Sn(PO3)4" +mp-1006619,Sn3PO6,-6.73500331,-2.0227882761,0.118147142,0.118147142,GGA,P2_1/c,A6BC3_mP40_14_6e_e_3e:O-P-Sn,40.0,A6BC3_mP40_14_6e_e_3e:O-P-Sn +mp-767039,Sn8P2O13,-6.6485206448,-1.98721051,0.0247785793,0.0247785793,GGA,C2/m,A13B2C8_mC92_12_3i5j_gi_4i2j:O-P-Sn,46.0,"Invalid WP multiplicities - A13B2C8_mC92_12_6i9j_g2i_8i3j:O-P-Sn, expected Sn14(PO8)3 to be Sn8P2O13" +mp-757192,SnP2O7,-7.4741661895,-2.5278664048,0.0,-0.0773695929,GGA,P-1,A7B2C_aP20_2_7i_2i_i:O-P-Sn,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_3i_i:O-P-Sn, expected SnP3O13 to be SnP2O7" +mp-1369693,SnP2O7,-7.363600852,-2.4173010673,0.1105653375,0.0331957446,GGA,P-1,A7B2C_aP20_2_7i_2i_i:O-P-Sn,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_2i_i:O-P-Sn, expected SnP2O13 to be SnP2O7" +mp-757076,SnP2O7,-7.472107421,-2.5258076363,0.0020587685,-0.0753108244,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sn,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_25e_7e_e:O-P-Sn, expected SnP7O25 to be SnP2O7" +mp-766434,SnP2O7,-7.4704495258,-2.524149741,0.0037166637,-0.0736529292,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sn,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_25e_5e_e:O-P-Sn, expected Sn(PO5)5 to be SnP2O7" +mp-1041027,SnP2O7,-7.3075326475,-2.3612328628,0.166633542,0.0892639491,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Sn,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_28e_5e_e:O-P-Sn, expected SnP5O28 to be SnP2O7" +mp-17887,SnP2O7,-7.4336464048,-2.48734662,0.0405197847,-0.0368498082,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Sn,40.0,A7B2C_cP40_205_ad_c_b:O-P-Sn +mp-26950,Sn2(PO3)5,-7.3942425905,-2.4266977308,0.0364323947,0.0364323947,GGA,Pc,A15B5C2_mP44_7_15a_5a_2a:O-P-Sn,44.0,A15B5C2_mP44_7_30a_10a_4a:O-P-Sn +mp-769187,Sn5P6O25,-7.310244175,-2.4159416168,0.0420020874,0.0420020874,GGA,R-3,A25B6C5_hR108_148_a4f_f_b2c:O-P-Sn,36.0,"Invalid WP multiplicities - A25B6C5_hR108_148_a18f_f_b2c:O-P-Sn, expected Sn5P6O109 to be Sn5P6O25" +mp-1041231,Sn3P3O13,-7.2113983482,-2.3389995939,0.085313512,0.085313512,GGA,P2_1/m,A13B3C3_mP38_11_7e3f_3e_a2e:O-P-Sn,38.0,"Invalid WP multiplicities - A13B3C3_mP38_11_12e11f_3e_2a3e:O-P-Sn, expected Sn5P3O34 to be Sn3P3O13" +mp-684053,Sn6P7O24,-7.1965411668,-2.3135390655,0.0856529459,0.0856529459,GGA,P2_1/m,A24B7C6_mP74_11_2e11f_e3f_3f:O-P-Sn,74.0,"Invalid WP multiplicities - A24B7C6_mP74_11_4e42f_2e11f_10f:O-P-Sn, expected Sn5(P3O11)2 to be Sn6P7O24" +mp-767076,Sn(PO3)2,-7.3233579969,-2.3771014263,0.0555244914,0.0445792131,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:O-P-Sn,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_23e_5e_e:O-P-Sn, expected SnP5O23 to be Sn(PO3)2" +mp-767141,Sn(PO3)2,-7.3755128374,-2.4292562667,0.003369651,-0.0075756273,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:O-P-Sn,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_43e_7e_3e:O-P-Sn, expected Sn3P7O43 to be Sn(PO3)2" +mp-767192,Sn(PO3)2,-7.3571279925,-2.4108714219,0.0217544958,0.0108092176,GGA,C2/c,A6B2C_mC72_15_6f_2f_ce:O-P-Sn,36.0,"Invalid WP multiplicities - A6B2C_mC72_15_23f_7f_c2e:O-P-Sn, expected Sn3(P7O23)2 to be Sn(PO3)2" +mp-767063,Sn(PO3)2,-7.3169598481,-2.3707032774,0.0619226403,0.050977362,GGA,C222_1,A6B2C_oC72_20_6c_abc_c:O-P-Sn,36.0,"Invalid WP multiplicities - A6B2C_oC72_20_11c_2ab2c_c:O-P-Sn, expected Sn2P7O22 to be Sn(PO3)2" +mp-766947,Sn(PO3)2,-7.3788824883,-2.4326259177000003,0.0,-0.0109452782,GGA,Pbca,A6B2C_oP72_61_6c_2c_c:O-P-Sn,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_21c_5c_c:O-P-Sn, expected SnP5O21 to be Sn(PO3)2" +mp-1209319,SnP2O9,-6.7493595329,-1.8029949271,0.3035604102,0.3035604102,GGA,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-P-Sn,48.0,A9B2C_mP48_14_9e_2e_e:O-P-Sn +mp-729138,SnP2O9,-6.7726911763,-1.8263265705,0.2802287669,0.2802287669,GGA,C2/c,A9B2C_mC48_15_e4f_f_c:O-P-Sn,24.0,A9B2C_mC48_15_e4f_f_a:O-P-Sn +mp-26446,Sn4(PO4)3,-7.0671677845,-2.24409097,0.0888428109,0.0888428109,GGA,R3c,A12B3C4_hR114_161_4b_b_ab:O-P-Sn,38.0,"Invalid WP multiplicities - A12B3C4_hR114_161_18b_b_a2b:O-P-Sn, expected Sn7(PO18)3 to be Sn4(PO4)3" +mp-540395,Sn4(PO4)3,-7.0646828845,-2.24160607,0.0913277109,0.0913277109,GGA,P6_3,A12B3C4_hP38_173_4c_c_bc:O-P-Sn,38.0,"Invalid WP multiplicities - A12B3C4_hP38_173_18c_c_2b3c:O-P-Sn, expected Sn11(PO18)3 to be Sn4(PO4)3" +mp-726037,SnPO3,-6.779568617,-1.9269805179,0.3106606734,0.3106606734,GGA,Cc,A3BC_mC20_9_3a_a_a:O-P-Sn,10.0,A3BC_mC20_9_3a_a_a:O-P-Sn +mp-27493,Sn3(PO4)2,-7.0997136725,-2.2974959596,0.0,-0.0219915648,GGA,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:O-P-Sn,52.0,A8B2C3_mP52_14_8e_2e_3e:O-P-Sn +mp-560637,GaS5N5Cl4,-5.1599461403,-0.3074816989,0.1738214942,0.1738214942,GGA,Pnma,A4BC5D5_oP120_62_4c2d_2c_5d_5d:Cl-Ga-N-S,120.0,"Invalid WP multiplicities - A4BC5D5_oP120_62_14c11d_6c_35d_33d:Cl-Ga-N-S, expected Ga3S33N35Cl18 to be GaS5N5Cl4" +mp-555282,Ga2S5N5Cl7,-4.8621119224000005,-0.5799712579,0.1300842262,0.1300842262,GGA,P2_1/c,A7B2C5D5_mP76_14_7e_2e_5e_5e:Cl-Ga-N-S,76.0,"Invalid WP multiplicities - A7B2C5D5_mP76_14_25e_5e_17e_15e:Cl-Ga-N-S, expected Ga5S15N17Cl25 to be Ga2S5N5Cl7" +mp-1110966,K2PrAgI6,-3.267479919,-1.4000341438,0.0961175427,0.0961175427,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Pr +mp-1110786,Rb2YAgF6,-5.466504282,-3.1936073753,0.0,-0.0070290244,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-Y +mp-1203720,FeCo2BO5,-7.7679970925,-1.7569424117,0.2570755374,0.2570755374,GGA+U,Pbam,AB2CD5_oP36_55_g_adh_g_3g2h:B-Co-Fe-O,36.0,AB2CD5_oP36_55_g_adh_g_3g2h:B-Co-Fe-O +mp-504583,FeCoBO4,-7.9952647629,-1.9889096742,0.1557530931,0.1557530931,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:B-Co-Fe-O,28.0,ABCD4_oP28_62_c_c_c_4c:B-Co-Fe-O +mp-1223894,K5BaTaP4,-4.3276011814,-0.6019686967,0.0,-0.0914315699,GGA,Cc,AB5C4D_mC44_9_a_5a_4a_a:Ba-K-P-Ta,22.0,"Invalid WP multiplicities - AB5C4D_mC44_9_a_10a_7a_a:Ba-K-P-Ta, expected K10BaTaP7 to be K5BaTaP4" +mp-961648,KBaP,-3.0615202867,-0.2472948221,0.417577554,0.417577554,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-K-P,3.0,ABC_cF12_216_a_c_b:Ba-K-P +mp-1110841,K2CuBiF6,-4.664941244,-2.5020044941,0.1383554617,0.1383554617,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-F-K +mp-1211675,KNd(ClO)4,-4.452582219,-1.1466374325,0.6050701683,0.6050701683,GGA,P2_12_12,A4BCD4_oP20_18_2c_a_b_2c:Cl-K-Nd-O,20.0,A4BCD4_oP20_18_2c_a_b_2c:Cl-K-Nd-O +mp-1199395,ZrO3F5,-5.7574142283,-2.0968407171,0.2097781658,0.2097781658,GGA,Fdd2,A5B3C_oF144_43_5b_3b_b:F-O-Zr,36.0,"Invalid WP multiplicities - A5B3C_oF144_43_10b_6b_b:F-O-Zr, expected Zr(O3F5)2 to be ZrO3F5" +mp-1228106,Ba2ZrO3F2,-7.5782603037,-3.6971759814,0.1392757775,0.1392757775,GGA,Imm2,A2B2C3D_oI16_44_2a_ab_a2b_a:Ba-F-O-Zr,,A2B2C3D_oI16_44_2a_ab_a2b_a:Ba-F-O-Zr +mp-728474,ZrOF4,-6.433735535,-2.9103513331,0.425061469,0.425061469,GGA,I-42d,A4BC_tI48_122_2e_c_d:F-O-Zr,24.0,A4BC_tI48_122_2e_c_d:F-O-Zr +mp-679927,Rb2Sc(NO3)5,-6.8238845139,-1.424913099,0.0,-0.0932672454,GGA,P3_121,A5B15C2D_hP69_152_a2c_a7c_ab_a:N-O-Rb-Sc,69.0,"Invalid WP multiplicities - A5B15C2D_hP69_152_3a7c_3a41c_a2b_a:N-O-Rb-Sc, expected Rb3Sc(NO5)17 to be Rb2Sc(NO3)5" +mp-773588,Sc6N2O5,-9.2774368377,-3.1696485272,0.0229865454,0.0204595744,GGA,P1,A2B5C6_aP13_1_2a_5a_6a:N-O-Sc,13.0,A2B5C6_aP13_1_2a_5a_6a:N-O-Sc +mp-755813,Sc6N2O5,-9.3004233831,-3.1926350726,0.0,-0.002526971,GGA,C2/m,A2B5C6_mC26_12_i_a2i_3i:N-O-Sc,13.0,"Invalid WP multiplicities - A2B5C6_mC26_12_i_a3i_5i:N-O-Sc, expected Sc10N2O7 to be Sc6N2O5" +mp-23110,NaHg2IO2,-3.2273585417,-1.0112535757,0.0,-0.046577134,GGA,P6_222,A2BCD2_hP18_180_f_c_b_i:Hg-I-Na-O,18.0,A2BCD2_hP18_180_f_c_b_i:Hg-I-Na-O +mp-1201377,Pr(NO3)3,-7.1690847215,-1.452885573,0.0,-0.2253594653,GGA,C2/c,A3B9C_mC208_15_6f_18f_cef:N-O-Pr,104.0,A3B9C_mC208_15_6f_18f_aef:N-O-Pr +mp-1211184,Pr6N8O33,-7.0968671413,-1.59435392,0.1396645216,0.1396645216,GGA,P-1,A8B33C6_aP47_2_4i_a16i_3i:N-O-Pr,47.0,A8B33C6_aP47_2_4i_a16i_3i:N-O-Pr +mp-734336,Pr2(N4O9)3,-6.6168722286,-0.6861320868,0.4614595705,0.4614595705,GGA,P4_332,A12B27C2_cP164_212_2de_d4e_c:N-O-Pr,164.0,A12B27C2_cP164_212_2de_d4e_c:N-O-Pr +mp-1211204,Pr2(N4O9)3,-6.6206805799,-0.6899404381,0.4576512191,0.4576512191,GGA,P4_132,A12B27C2_cP164_213_2de_d4e_c:N-O-Pr,164.0,A12B27C2_cP164_213_2de_d4e_c:N-O-Pr +mp-1105125,PrNO5,-6.93306693,-1.5258034677,0.2630923696,0.2630923696,GGA,P2_1,AB5C_mP14_4_a_5a_a:N-O-Pr,14.0,AB5C_mP14_4_a_5a_a:N-O-Pr +mp-1006616,Pr(NO5)3,-6.1571430987,-0.6839472461,0.3101323564,0.3101323564,GGA,P-1,A3B15C_aP38_2_3i_15i_i:N-O-Pr,38.0,A3B15C_aP38_2_3i_15i_i:N-O-Pr +mp-734344,Pr(NO5)3,-6.0033399082,-0.5301440556,0.463935547,0.463935547,GGA,P-1,A3B15C_aP38_2_3i_15i_i:N-O-Pr,38.0,A3B15C_aP38_2_3i_15i_i:N-O-Pr +mp-1202351,Pr(NO5)3,-6.0540808432,-0.5808849906,0.413194612,0.413194612,GGA,P-1,A3B15C_aP38_2_3i_15i_i:N-O-Pr,38.0,A3B15C_aP38_2_3i_15i_i:N-O-Pr +mp-1335659,Pr(NO5)3,-3.7631105621,1.7100852905,2.704164893,2.704164893,GGA,P-1,A3B15C_aP38_2_3i_15i_i:N-O-Pr,38.0,A3B15C_aP38_2_3i_15i_i:N-O-Pr +mp-555979,Li2Pr(NO3)5,-6.8471966113,-1.4349550121,0.0,-0.0103316713,GGA,Pnnm,A2B5C15D_oP92_58_h_e2gh_e4g5h_ac:Li-N-O-Pr,92.0,"Invalid WP multiplicities - A2B5C15D_oP92_58_h_4e7g4h_4e16g36h_2ac:Li-N-O-Pr, expected Li4Pr3(N19O92)2 to be Li2Pr(NO3)5" +mp-1180950,K2TlCl5O2,-3.227210056,-0.8552598797000001,0.6262200636,0.6262200636,GGA,P2_1/c,A5B2C2D_mP40_14_5e_2e_2e_e:Cl-K-O-Tl,40.0,A5B2C2D_mP40_14_5e_2e_2e_e:Cl-K-O-Tl +mp-1199217,K2TlCl5O2,-3.0746851122,-0.7027349359,0.7787450074000001,0.7787450074000001,GGA,P2_1/c,A5B2C2D_mP40_14_5e_2e_2e_e:Cl-K-O-Tl,40.0,A5B2C2D_mP40_14_5e_2e_2e_e:Cl-K-O-Tl +mp-1182725,K3Tl(Cl3O)2,-3.1479274031,-0.9247242889,0.6862147041000001,0.6862147041000001,GGA,I4/mmm,A6B3C2D_tI168_139_egikl2m_bh2n_ejn_acf:Cl-K-O-Tl,84.0,A6B3C2D_tI168_139_egikl2m_bh2n_ejn_acf:Cl-K-O-Tl +mp-1198399,K3Tl(Cl3O)2,-3.1023286558,-0.8791255417,0.7318134514,0.7318134514,GGA,I4/mmm,A6B3C2D_tI168_139_egikl2m_bh2n_ejn_acf:Cl-K-O-Tl,84.0,A6B3C2D_tI168_139_egikl2m_bh2n_ejn_acf:Cl-K-O-Tl +mp-27742,K2CdO2,-4.03070441,-1.4232913947,0.0,-0.0317293538,GGA,Pbcn,AB2C2_oP20_60_c_d_d:Cd-K-O,20.0,AB2C2_oP20_60_c_d_d:Cd-K-O +mp-7534,K2Cd2O3,-4.123469275,-1.4225201967,0.0,-0.0157841407,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Cd-K-O,14.0,"Invalid WP multiplicities - A2B2C3_mP14_14_e_e_2a2e:Cd-K-O, expected KCdO3 to be K2Cd2O3" +mp-17161,K6CdO4,-3.8405278686,-1.3521607516,0.0,-0.0243286714,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Cd-K-O,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_5c_bc:Cd-K-O, expected K15CdO4 to be K6CdO4" +mp-1184992,KCdO3,-4.111037796,-0.7363668279000001,0.402591434,0.402591434,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-K-O,5.0,ABC3_cP5_221_b_a_c:Cd-K-O +mp-1212732,K2CdGeO4,-5.3861048598,-1.9419210656,0.0,-0.0588759835,GGA,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:Cd-Ge-K-O,64.0,ABC2D4_oP64_29_2a_2a_4a_8a:Cd-Ge-K-O +mp-769868,Li3BiH8O7,-5.282426515,-1.527906143,0.0449229647,0.0449229647,GGA,P-1,AB8C3D7_aP38_2_i_8i_3i_7i:Bi-H-Li-O,38.0,"Invalid WP multiplicities - AB8C3D7_aP38_2_i_15i_5i_13i:Bi-H-Li-O, expected Li5BiH15O13 to be Li3BiH8O7" +mp-1216703,TlV6PSe7,-6.6904940533,-0.9071098922,0.02826331,0.02826331,GGA,P3,AB7CD6_hP15_143_a_b2d_c_2d:P-Se-Tl-V,15.0,AB7CD6_hP15_143_a_b2d_c_2d:P-Se-Tl-V +mp-568903,TlV5Se8,-6.3634903229,-0.9528142287,0.0077973798,0.0077973798,GGA,C2/m,A8BC5_mC28_12_4i_a_d2i:Se-Tl-V,14.0,"Invalid WP multiplicities - A8BC5_mC28_12_8i_a_c3i:Se-Tl-V, expected TlV7Se16 to be TlV5Se8" +mp-1025549,Tl3VSe4,-4.55539448,-0.7859593024,0.0,-0.0881686223,GGA,I-43m,A4B3C_cI16_217_c_b_a:Se-Tl-V,8.0,A4B3C_cI16_217_c_b_a:Se-Tl-V +mp-549333,NdBi2IO4,-6.5093649325000005,-2.2957090716,0.0,-0.0668236522,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-I-Nd-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-I-Nd-O +mp-1194641,Na3U6TiF30,-7.235890647,-3.8119932224,0.2588034949,0.2588034949,GGA,P-3c1,A30B3CD6_hP80_165_5g_bd_a_g:F-Na-Ti-U,80.0,A30B3CD6_hP80_165_5g_bd_a_g:F-Na-Ti-U +mp-1220548,Nd3Er(WO4)6,-9.0613443274,-2.7277716345,0.0360805021,0.0360805021,GGA+U,P1,AB3C24D6_aP34_1_a_3a_24a_6a:Er-Nd-O-W,34.0,AB3C24D6_aP34_1_a_3a_24a_6a:Er-Nd-O-W +mp-1356567,Nd3Er(WO4)6,-7.6679701771,-1.3343974842000002,1.4294546524,1.4294546524,GGA+U,P1,AB3C24D6_aP34_1_a_3a_24a_6a:Er-Nd-O-W,34.0,AB3C24D6_aP34_1_a_3a_24a_6a:Er-Nd-O-W +mp-1227918,CaEu2B2O7,-9.0173519639,-3.1419179639,0.0318351263,0.0318351263,GGA,R3c,A2BC2D7_hR216_161_6a_b_2b_7b:B-Ca-Eu-O,,A2BC2D7_hR216_161_6a_b_2b_7b:B-Ca-Eu-O +mp-1202173,Ho4NiB13,-6.6496430919,-0.4862061375,0.1337761968,0.1337761968,GGA,P4/mnc,A13B4C_tP36_128_agi_h_b:B-Ho-Ni,36.0,A13B4C_tP36_128_agi_h_b:B-Ho-Ni +mp-1192069,Ho3Ni7B2,-6.1464766012,-0.5158960253,0.2606858087,0.2606858087,GGA,P6_3/mmc,A2B3C7_hP24_194_bc_df_ak:B-Ho-Ni,24.0,A2B3C7_hP24_194_bc_df_ak:B-Ho-Ni +mp-1105707,Ho3Ni13B2,-6.1142051189,-0.4337725082,0.2548290233,0.2548290233,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-Ho-Ni,18.0,A2B3C13_hP18_191_c_ae_ghi:B-Ho-Ni +mp-1192149,HoNiB4,-6.7590843221,-0.5790655499,0.0120271338,0.0120271338,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Ho-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Ho-Ni +mp-1212324,Ho2NiB10,-6.7884962042,-0.5008906559,0.0053254195,0.0053254195,GGA,Pbam,A10B2C_oP26_55_3gi_h_a:B-Ho-Ni,26.0,A10B2C_oP26_55_3gi_h_a:B-Ho-Ni +mp-568440,Ho2(Ni2B)5,-6.3754796269,-0.4717653096,0.1976156724,0.1976156724,GGA,Pbca,A5B2C10_oP136_61_5c_2c_10c:B-Ho-Ni,136.0,"Invalid WP multiplicities - A5B2C10_oP136_61_39c_10c_74c:B-Ho-Ni, expected Ho10Ni74B39 to be Ho2(Ni2B)5" +mp-505720,Ho4NiB14,-6.8099658795,-0.6193734083,0.0,-0.0060246326,GGA,P4/mnc,A14B4C_tP38_128_egi_h_a:B-Ho-Ni,38.0,A14B4C_tP38_128_egi_h_a:B-Ho-Ni +mp-567285,Ho2(Ni5B2)3,-6.3174606361,-0.4068859159,0.1822265883,0.1822265883,GGA,P2_1/c,A6B2C15_mP138_14_9e_3e_a22e:B-Ho-Ni,138.0,"Invalid WP multiplicities - A6B2C15_mP138_14_34e_11e_2a86e:B-Ho-Ni, expected Ho11Ni87B34 to be Ho2(Ni5B2)3" +mp-1095435,Ho2(NiB2)3,-6.6309787318,-0.5781079677000001,0.1132934348,0.1132934348,GGA,Cmmm,A6B2C3_oC22_65_gp_j_ah:B-Ho-Ni,11.0,A6B2C3_oC22_65_gp_j_ah:B-Ho-Ni +mp-1212548,Ho(Ni2B)6,-6.3926473179,-0.3915736518,0.0766995713,0.0766995713,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-Ho-Ni,38.0,A6BC12_oC76_36_2a2b_a_2a5b:B-Ho-Ni +mp-10398,HoNi4B,-6.5967514983,-0.8663602715000001,0.0,-0.4103587816,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Ho-Ni,12.0,"Invalid WP multiplicities - ABC4_hP12_191_c_ab_d2i:B-Ho-Ni, expected HoNi7B to be HoNi4B" +mp-5571,Ho2(Ni5B3)3,-6.4176360231,-0.4183516432,0.1136027922,0.1136027922,GGA,Cmce,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Ho-Ni,104.0,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Ho-Ni +mp-16779,Ho2Ni(B2O5)2,-8.4487739603,-3.0882205123,0.0,-0.0103919396,GGA+U,P2_1/c,A4B2CD10_mP34_14_2e_e_a_5e:B-Ho-Ni-O,34.0,"Invalid WP multiplicities - A4B2CD10_mP34_14_2e_e_a_8e:B-Ho-Ni-O, expected Ho2Ni(BO4)4 to be Ho2Ni(B2O5)2" +mp-31009,Ho(NiB)2,-6.466087124,-0.5657939697000001,0.1926227932,0.1926227932,GGA,C2/c,A2BC2_mC20_15_f_e_f:B-Ho-Ni,10.0,A2BC2_mC20_15_f_e_f:B-Ho-Ni +mp-28151,Ho3Ni19B10,-6.3860912991,-0.4372243854,0.1574311443,0.1574311443,GGA,C2/m,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Ho-Ni,32.0,"Invalid WP multiplicities - A10B3C19_mC64_12_g4j_ai_c4i4j:B-Ho-Ni, expected Ho3Ni25B18 to be Ho3Ni19B10" +mp-554774,RbLu(SO4)2,-7.0101039475,-2.5644461128,0.0,-0.0029009427,GGA,P2/c,AB8CD2_mP24_13_e_4g_f_g:Lu-O-Rb-S,24.0,"Invalid WP multiplicities - AB8CD2_mP24_13_e_13g_f_g:Lu-O-Rb-S, expected RbLu(SO13)2 to be RbLu(SO4)2" +mp-9370,RbLuS2,-5.5295856275,-2.0859895459,0.0,-0.1824460187,GGA,R-3m,ABC2_hR12_166_a_b_c:Lu-Rb-S,4.0,ABC2_hR12_166_a_b_c:Lu-Rb-S +mp-1210108,RbLuS2O9,-6.7004014856000005,-2.2162028142,0.150978213,0.150978213,GGA,P2_1/c,AB9CD2_mP52_14_e_9e_e_2e:Lu-O-Rb-S,52.0,AB9CD2_mP52_14_e_9e_e_2e:Lu-O-Rb-S +mp-1226429,Cs3Pr5(PS4)6,-5.584394815,-1.4174119798,0.0,-0.045901555,GGA,Cc,A3B6C5D24_mC152_9_3a_6a_5a_24a:Cs-P-Pr-S,76.0,"Invalid WP multiplicities - A3B6C5D24_mC152_9_4a_9a_7a_36a:Cs-P-Pr-S, expected Cs4Pr7(PS4)9 to be Cs3Pr5(PS4)6" +mp-1209427,RbEr(WO4)2,-8.5782752802,-2.6584400275,0.0162557806,-0.0004601817,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Er-O-Rb-W,48.0,AB8CD2_mP48_14_e_8e_e_2e:Er-O-Rb-W +mp-1209367,RbEr(WO4)2,-8.5945310608,-2.6746958081,0.0,-0.0167159623,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Er-O-Rb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Er-O-Rb-W +mp-1245342,LiLu(SO4)2,-6.9143744367,-2.3913508691,0.1836721247,0.1836721247,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Li-Lu-O-S,24.0,"Invalid WP multiplicities - ABC8D2_tP24_118_c_d_4i_f:Li-Lu-O-S, expected LiLu(SO8)2 to be LiLu(SO4)2" +mp-1208064,UMn(MoO4)4,-8.6859324459,-2.1867031222,0.0844238972,0.0844238972,GGA+U,P2/c,AB4C16D_mP44_13_e_2g_ef7g_f:Mn-Mo-O-U,44.0,"Invalid WP multiplicities - AB4C16D_mP44_13_e_2g_ef14g_f:Mn-Mo-O-U, expected UMn(Mo2O15)2 to be UMn(MoO4)4" +mp-555194,SiHg3(SF3)2,-4.2580290408,-2.0848513189,0.0,-0.0385536554,GGA,P-3m1,A6B3C2D_hP12_164_i_e_d_b:F-Hg-S-Si,12.0,A6B3C2D_hP12_164_i_e_d_b:F-Hg-S-Si +mp-1216115,Y6Mg(GeS7)2,-6.5418899965,-1.8655656236,0.0072126152,0.0072126152,GGA,P3,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Y,23.0,A2BC14D6_hP23_143_ab_c_ab4d_2d:Ge-Mg-S-Y +mp-1216098,Y4MgS7,-6.9396618083,-2.2378856774,0.0217401225,0.0217401225,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Mg-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Mg-S-Y +mp-1232166,YMgS3,-5.6131151395,-1.5178949867,0.355176954,0.355176954,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Y,20.0,AB3C_mC20_12_g_ij_i:Mg-S-Y +mp-1237973,YMgS3,-5.654397912,-1.5591777592,0.3138941815,0.3138941815,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-S-Y,10.0,AB3C_mC20_12_g_ij_i:Mg-S-Y +mp-1232033,Y2MgS4,-6.4194603525,-1.9796001033,0.1968724796,0.1968724796,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-S-Y,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-S-Y +mp-1232029,Y2MgS4,-6.5999224712,-2.1600622221,0.0164103609,0.0164103609,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-S-Y,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-S-Y +mp-1216083,Y2MgS4,-6.5982583757,-2.1583981265,0.0180744564,0.0180744564,GGA,Cmc2_1,AB4C2_oC28_36_a_4a_2a:Mg-S-Y,14.0,AB4C2_oC28_36_a_4a_2a:Mg-S-Y +mp-1232031,Y2MgS4,-6.5523361454,-2.1124758962,0.0639966868,0.0639966868,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-S-Y,28.0,AB4C2_oP28_62_c_4c_2c:Mg-S-Y +mp-1232032,Y2MgS4,-6.5994003146,-2.1595400655,0.0169325175,0.0169325175,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-S-Y,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-S-Y +mp-1232387,Y2MgS4,-6.3843431936,-1.9444829444,0.2319896386,0.2319896386,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-S-Y,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-S-Y +mp-1232030,Y2MgS4,-6.5360823186,-2.0962220694,0.0802505136,0.0802505136,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-S-Y,14.0,AB4C2_tI28_122_a_e_d:Mg-S-Y +mp-1001024,Y2MgS4,-6.6132929064,-2.1734326573,0.0030399257,0.0030399257,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-S-Y,14.0,AB4C2_cF56_227_a_e_d:Mg-S-Y +mp-1193060,Fe3Mo3C,-9.6322579582,-0.0357323221,0.0140225004,0.0140225004,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Fe-Mo,28.0,AB3C3_cF112_227_c_de_f:C-Fe-Mo +mp-1225198,Fe(B2Mo)2,-8.5001162114,-0.3745607095,0.0624001814,0.0624001814,GGA,Imm2,A4BC2_oI14_44_2a2b_a_ab:B-Fe-Mo,7.0,A4BC2_oI14_44_2a2b_a_ab:B-Fe-Mo +mp-571055,Fe11Mo6C5,-9.2844402077,0.0058989483,0.0519417193,0.0519417193,GGA,C2/m,A5B11C6_mC44_12_aj_bh2ij_ij:C-Fe-Mo,22.0,"Invalid WP multiplicities - A5B11C6_mC44_12_a2j_b2h3i3j_2i2j:C-Fe-Mo, expected Fe23(Mo4C3)3 to be Fe11Mo6C5" +mp-15722,Fe2B4Mo,-8.1762428957,-0.390062951,0.0118442393,0.0118442393,GGA,Immm,A4B2C_oI14_71_ef_f_a:B-Fe-Mo,7.0,A4B2C_oI14_71_ef_f_a:B-Fe-Mo +mp-1238849,BMoC,-8.5068613767,0.4110410811,0.7458642942,0.7458642942,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Mo,6.0,ABC_hP6_194_c_d_a:B-C-Mo +mp-20278,Fe(BMo)2,-8.235166601,0.4688543933,0.90734484,0.8706422490000001,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:B-Fe-Mo,10.0,A2BC2_tP10_127_h_a_g:B-Fe-Mo +mp-1078299,Fe(BMo)2,-9.142511441,-0.4384904467,0.0,-0.036702591,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:B-Fe-Mo,10.0,A2BC2_tP10_127_g_a_h:B-Fe-Mo +mp-641587,Fe21(MoC3)2,-8.7677659459,0.023052626,0.0346956256,0.0346956256,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:C-Fe-Mo,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a5f5h_c:C-Fe-Mo, expected Fe101(MoC3)2 to be Fe21(MoC3)2" +mp-4472,BMo2C,-9.6448173788,-0.2449780079,0.0483452753,0.0483452753,GGA,Cmcm,ABC2_oC16_63_c_c_2c:B-C-Mo,8.0,ABC2_oC16_63_c_c_2c:B-C-Mo +mp-669355,Fe2Mo4C,-9.9544019329,-0.0185007396,0.0318385208,0.0318385208,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Fe-Mo,28.0,"Invalid WP multiplicities - AB2C4_cF112_227_c_e_4d3f:C-Fe-Mo, expected Fe2Mo13C to be Fe2Mo4C" +mp-1096767,Fe11MoC4,-8.7388999156,0.0692591712,0.0798106396,0.0798106396,GGA,P1,A4B11C_aP16_1_4a_11a_a:C-Fe-Mo,16.0,A4B11C_aP16_1_4a_11a_a:C-Fe-Mo +mp-995434,Fe11MoC4,-8.6128266644,0.1953324225,0.2058838909,0.2058838909,GGA,Pmm2,A4B11C_oP16_25_abh_cefgi_d:C-Fe-Mo,16.0,"Invalid WP multiplicities - A4B11C_oP16_47_abl_e2j2moz_f:C-Fe-Mo, expected Fe15MoC4 to be Fe11MoC4" +mp-2488451,Fe11MoC4,-8.6197493231,0.1884097638,0.1989612321,0.1989612321,GGA,Pmmm,A4B11C_oP16_47_abl_ejmoz_f:C-Fe-Mo,16.0,"Invalid WP multiplicities - A4B11C_oP16_47_abl_e2j2moz_f:C-Fe-Mo, expected Fe15MoC4 to be Fe11MoC4" +mp-1225209,Fe6BMo6C,-9.4492146271,-0.0347799712,0.0699188441,0.0699188441,GGA,Imma,ABC6D6_oI56_74_a_c_bdhi_2ej:B-C-Fe-Mo,28.0,"Invalid WP multiplicities - ABC6D6_oI56_74_a_c_bd2h2i_4e4j:B-C-Fe-Mo, expected Fe10BMo20C to be Fe6BMo6C" +mp-1179835,Pb(CO)4,-7.6866958872,-0.9740221222,0.3265849221,0.3265849221,GGA,I4_1/amd,A4B4C_tI36_141_2e_h_a:C-O-Pb,18.0,A4B4C_tI36_141_2e_h_a:C-O-Pb +mp-22747,Pb(CO2)2,-7.60321701,-1.6093980243,0.0628110327,0.0628110327,GGA,P-1,A2B4C_aP14_2_2i_4i_i:C-O-Pb,14.0,A2B4C_aP14_2_2i_4i_i:C-O-Pb +mp-653887,Co4Pb(CO)16,-7.7970393771,-0.7983478768000001,0.4217732122,0.4217732122,GGA+U,Pccn,A16B4C16D_oP148_56_8e_2e_8e_c:C-Co-O-Pb,148.0,"Invalid WP multiplicities - A16B4C16D_oP148_56_55e_10e_48e_c:C-Co-O-Pb, expected Co20Pb(C55O48)2 to be Co4Pb(CO)16" +mp-1210537,Pb(CO3)2,-6.8050359794,-1.0439126103,0.5698150867,0.5698150867,GGA,Pnma,A2B6C_oP36_62_d_2c2d_c:C-O-Pb,36.0,A2B6C_oP36_62_d_2c2d_c:C-O-Pb +mp-1079073,Pb2CO6,-6.0269148744,-0.8786824411,0.5784290211,0.5784290211,GGA,R3m,AB6C2_hR27_160_a_3ab_2a:C-O-Pb,9.0,AB6C2_hR27_160_a_3ab_2a:C-O-Pb +mp-505702,Pb2CO4,-6.9263777225,-1.7205613686,0.0,-0.0077938316,GGA,P2_12_12_1,AB4C2_oP28_19_a_4a_2a:C-O-Pb,28.0,AB4C2_oP28_19_a_4a_2a:C-O-Pb +mp-1201059,PbC4O5,-7.2166812218,-0.6806059621,0.7554919675,0.7554919675,GGA,P2_1/c,A4B5C_mP40_14_4e_5e_e:C-O-Pb,40.0,A4B5C_mP40_14_4e_5e_e:C-O-Pb +mp-1105697,PbCO3,-7.364302346,-1.8080266067,0.0019628935,-0.0725304692,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:C-O-Pb,20.0,AB3C_oP20_62_c_cd_c:C-O-Pb +mp-19893,PbCO3,-7.3662652395,-1.8099895002,0.0,-0.0744933627,GGA,Pnma,AB3C_oP20_62_c_cd_c:C-O-Pb,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_c2d_c:C-O-Pb, expected PbCO5 to be PbCO3" +mp-1221786,Pb5(CO4)3,-6.8541983317,-1.5737235135,0.1346546851,0.1346546851,GGA,P1,A3B12C5_aP120_1_18a_72a_30a:C-O-Pb,120.0,A3B12C5_aP120_1_18a_72a_30a:C-O-Pb +mp-1228847,AlVCrC,-8.2705801763,-0.3427814606,0.0013378269,0.0013378269,GGA,P-3m1,ABCD_hP8_164_d_ab_d_d:Al-C-Cr-V,8.0,ABCD_hP8_164_d_ab_d_d:Al-C-Cr-V +mp-1096125,AlVCr2,-4.8655440075000005,3.1683502025,3.30077944,3.30077944,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Cr-V,4.0,AB2C_oI8_71_a_e_b:Al-Cr-V +mp-1205555,USiOs2C,-9.967655483,-0.2876298045,0.0183781457,0.0183781457,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-U,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-U +mp-1105580,U2Si5Os3,-8.814882541,-0.475731295,0.0,-0.012616292,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Os-Si-U,20.0,A3B5C2_mC40_15_ef_3ef_f:Os-Si-U +mp-1216597,U2Si3Os,-8.7035564417,-0.355866185,0.0304385911,0.0304385911,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Os-Si-U,6.0,AB3C2_oP6_25_a_a2b_cd:Os-Si-U +mp-5786,U(SiOs)2,-9.434483528,-0.515127342,0.0,-0.123600409,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-U,5.0,A2B2C_tI10_139_d_e_a:Os-Si-U +mp-1069004,U2OsC2,-10.647280804,-0.193777117,0.0,-0.0798527073,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Os-U,5.0,A2BC2_tI10_139_e_a_e:C-Os-U +mp-1194680,TaTlV2O8,-8.5281753285,-2.5313634447,0.0,-0.0041068545,GGA+U,Pnma,A8BCD2_oP48_62_4c2d_c_c_2c:O-Ta-Tl-V,48.0,A8BCD2_oP48_62_4c2d_c_c_2c:O-Ta-Tl-V +mp-1110767,Rb2NaYI6,-3.523604006,-1.6645777408,0.024726585,0.024726585,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:I-Na-Rb-Y +mp-1111773,Na3YI6,-3.341123226,-1.4136987166,0.181121491,0.181121491,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-Na-Y,10.0,A6B3C_cF40_225_e_ac_b:I-Na-Y +mp-1112156,Cs2YTlI6,-3.529391982,-1.5833802716,0.003941125,0.003941125,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Tl-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Tl-Y +mp-989591,K2BrCl6F,-2.843272424,-1.1656199089,0.0,-0.0161909907,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Br-Cl-F-K,10.0,AB6CD2_cF40_225_a_e_b_c:Br-Cl-F-K +mp-1112064,K2SbAuI6,-2.775225298,-0.9288373746,0.0858258237,0.0858258237,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Sb +mp-1211819,K3Hf4Ag2F23,-6.3745818725,-3.4749230844,0.0,-0.0172377873,GGA,P2_1/c,A2B23C4D3_mP64_14_e_a11e_2e_be:Ag-F-Hf-K,64.0,A2B23C4D3_mP64_14_e_a11e_2e_de:Ag-F-Hf-K +mp-676802,K2HfF6,-6.2272227644,-3.5997937946,0.1336881639,-0.0020788907,GGA,Pm,A6BC2_mP54_6_6a6b12c_2a4b_6a6b:F-Hf-K,54.0,"Invalid WP multiplicities - A6BC2_mP54_6_6a6b23c_2a4b_6a6b:F-Hf-K, expected K6Hf3F29 to be K2HfF6" +mp-14128,K2HfF6,-6.3609109283,-3.7334819584,0.0,-0.1357670546,GGA,C2/c,A6BC2_mC36_15_3f_e_f:F-Hf-K,18.0,"Invalid WP multiplicities - A6BC2_mC36_15_4f_e_f:F-Hf-K, expected K2HfF8 to be K2HfF6" +mp-8590,K2HfF6,-6.3571862539,-3.729757284,0.0037246744,-0.1320423802,GGA,P4/mnc,A6BC2_tP18_128_eh_a_d:F-Hf-K,18.0,"Invalid WP multiplicities - A6BC2_tP18_128_e2h_a_d:F-Hf-K, expected K2HfF10 to be K2HfF6" +mp-8415,K2HfF6,-6.30047528,-3.6730463101,0.0604356483,-0.0753314063,GGA,P-62m,A6BC2_hP9_189_fg_a_d:F-Hf-K,9.0,A6BC2_hP9_189_fg_a_d:F-Hf-K +mp-8414,K2HfF6,-6.32506347,-3.6976345001,0.0358474583,-0.0999195963,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:F-Hf-K,9.0,A6BC2_cF36_225_e_a_c:F-Hf-K +mp-1111426,K2TlAsF6,-4.602726988,-2.5315836629,0.0580691279,0.0580691279,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-K-Tl +mp-1214563,BaNaVF6,-6.1676340392,-3.5238251382,0.0,-0.0142680806,GGA+U,Pna2_1,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Na-V,72.0,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Na-V +mp-17972,Zn2Hg2OF6,-3.817164105,-2.0405813353,0.0,-0.0358708045,GGA,Fd-3m,A6B2CD2_cF88_227_f_c_a_d:F-Hg-O-Zn,22.0,A6B2CD2_cF88_227_f_c_a_d:F-Hg-O-Zn +mp-1215647,Zn2O3F,-4.3960652658,-1.1842265456,0.3622912703,0.3622912703,GGA,Pmc2_1,AB3C2_oP12_26_a_a2b_ab:F-O-Zn,12.0,"Invalid WP multiplicities - AB3C2_oP12_26_a_a3b_a2b:F-O-Zn, expected Zn3O4F to be Zn2O3F" +mp-1178719,Zn(OF)2,-4.45354566,-1.4583298665,0.1034705805,0.1034705805,GGA,P-1,A2B2C_aP10_2_2i_2i_i:F-O-Zn,10.0,"Invalid WP multiplicities - A2B2C_aP10_2_4i_4i_i:F-O-Zn, expected Zn(OF)4 to be Zn(OF)2" +mp-730523,Zn(OF)2,-4.392924915,-1.3977091215000002,0.1640913255,0.1640913255,GGA,P-1,A2B2C_aP10_2_2i_2i_i:F-O-Zn,10.0,"Invalid WP multiplicities - A2B2C_aP10_2_4i_4i_i:F-O-Zn, expected Zn(OF)4 to be Zn(OF)2" +mp-1178668,Zn(OF)2,-3.647102535,-0.6518867415,0.9099137055,0.9099137055,GGA,C2/c,A2B2C_mC20_15_f_f_e:F-O-Zn,10.0,A2B2C_mC20_15_f_f_e:F-O-Zn +mp-1079413,Zn(OF)2,-4.183420262,-1.1882044685,0.3735959785,0.3735959785,GGA,Fddd,A2B2C_oF40_70_e_f_a:F-O-Zn,10.0,A2B2C_oF40_70_e_f_a:F-O-Zn +mp-1207552,Zn(OF)2,-4.3948271895,-1.399611396,0.162189051,0.162189051,GGA,Fddd,A2B2C_oF80_70_h_h_c:F-O-Zn,20.0,A2B2C_oF80_70_h_h_c:F-O-Zn +mp-1410909,Zn(OF)2,-3.647391236,-0.6521754425,0.9096250045,0.9096250045,GGA,Fddd,A2B2C_oF40_70_e_f_a:F-O-Zn,10.0,A2B2C_mC20_15_f_f_e:F-O-Zn +mp-1215626,ZnOF,-4.2956318517,-1.5896614221,0.3090173702,0.3090173702,GGA,Pnma,ABC_oP12_62_c_c_c:F-O-Zn,12.0,ABC_oP12_62_c_c_c:F-O-Zn +mp-1106050,NaSr2IO6,-5.8121986505,-2.2266975687,0.0,-0.0358417343,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:I-Na-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:I-Na-O-Sr +mp-1205743,NaSr2IO6,-5.772864069,-2.1873629872,0.0393345815,0.0034928472,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:I-Na-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:I-Na-O-Sr +mp-1220130,Pr7Y(Fe14B)4,-8.0064478141,-0.0509836047,0.0105598452,0.0105598452,GGA,Amm2,A4B56C7D_oC136_38_2bd_6cde10f_a2bde_a:B-Fe-Pr-Y,68.0,"Invalid WP multiplicities - A4B56C7D_oC136_38_2bd_12c2d2e36f_a2bde_a:B-Fe-Pr-Y, expected Pr7Y(Fe44B)4 to be Pr7Y(Fe14B)4" +mp-1219699,PrYFe4,-7.4880001067,0.0332435114,0.0748410758,0.0748410758,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Pr-Y,6.0,A4BC_cF24_216_e_a_c:Fe-Pr-Y +mp-1112269,K2AlAuF6,-4.929715978,-2.8588030251000003,0.162097967,0.162097967,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Au-F-K +mp-1219479,Sb4Se3SI4,-3.701660815,-0.6155229267,0.0043122752,0.0043122752,GGA,Pm,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:I-S-Sb-Se,12.0,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:I-S-Sb-Se +mp-1095595,SbSI,-3.8668167517,-0.620544266,0.0025080692,-0.0115139453,GGA,Pna2_1,ABC_oP12_33_a_a_a:I-S-Sb,12.0,ABC_oP12_62_c_c_c:I-S-Sb +mp-23007,SbSI,-3.6014664767,-0.355193991,0.2678583442,0.2538363297,GGA,Pnma,ABC_oP12_62_c_c_c:I-S-Sb,12.0,ABC_oP12_62_c_c_c:I-S-Sb +mp-23041,SbSI,-3.8693248208,-0.6230523352,0.0,-0.0140220144,GGA,Pnma,ABC_oP12_62_c_c_c:I-S-Sb,12.0,ABC_oP12_62_c_c_c:I-S-Sb +mp-973217,SbSI,-3.8674773667,-0.621204881,0.0018474542,-0.0121745603,GGA,Pnma,ABC_oP12_62_c_c_c:I-S-Sb,12.0,ABC_oP12_62_c_c_c:I-S-Sb +mp-1173327,SbSI2,-3.170840755,-0.3677948033,0.2681970235,0.2681970235,GGA,Pmc2_1,A2BC_oP8_26_ab_a_a:I-S-Sb,8.0,A2BC_oP8_26_ab_a_a:I-S-Sb +mp-1173335,SbSI2,-3.1717105513,-0.3686645995,0.2673272273,0.2673272273,GGA,Pmc2_1,A2BC_oP8_26_ab_a_a:I-S-Sb,8.0,A2BC_oP8_26_ab_a_a:I-S-Sb +mp-540656,Sb(S8I)3,-4.370798455,-0.5199449873,0.0,-0.4225968461,GGA,R3m,A3B24C_hR84_160_b_2b3c_a:I-S-Sb,28.0,A3B24C_hR84_160_b_2b3c_a:I-S-Sb +mp-1208524,TbIO9,-5.2131217486,-0.6105825803,0.5848517655000001,0.5848517655000001,GGA,P2_1/c,AB9C_mP44_14_e_9e_e:I-O-Tb,44.0,AB9C_mP44_14_e_9e_e:I-O-Tb +mp-552857,TbBi2IO4,-6.5400105225,-2.3430773281,0.0,-0.0510566771,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Tb,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Tb +mp-30948,Tb(IO3)3,-5.612250001,-1.4911220355,0.0110022812,-0.101491933,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Tb,52.0,A3B9C_mP52_14_3e_9e_e:I-O-Tb +mp-554821,Tb(IO3)3,-5.6232522821,-1.5021243166,0.0,-0.1124942142,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Tb,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_8e_30e_e:I-O-Tb, expected Tb(I4O15)2 to be Tb(IO3)3" +mp-1193509,Tb(IO3)3,-5.1129186,-0.9917906345,0.5103336821,0.3978394679,GGA,Pmmn,A3B9C_oP26_59_be_aefg_a:I-O-Tb,26.0,A3B9C_oP26_59_be_aefg_a:I-O-Tb +mp-558309,K4SnSb2F14,-5.0130067843,-2.9430127049,0.0,-0.0025341279,GGA,P-1,A14B4C2D_aP21_2_7i_2i_i_a:F-K-Sb-Sn,21.0,"Invalid WP multiplicities - A14B4C2D_aP21_2_13i_4i_i_a:F-K-Sb-Sn, expected K8SnSb2F26 to be K4SnSb2F14" +mp-769173,PrOF,-8.0113971867,-4.1317060421,0.0,-0.0953689529,GGA,R-3m,ABC_hR18_166_c_c_c:F-O-Pr,6.0,ABC_hR18_166_c_c_c:F-O-Pr +mp-36033,PrOF,-7.9579041667,-4.0782130221,0.05349302,-0.0418759329,GGA,F-43m,ABC_cF12_216_a_b_c:F-O-Pr,3.0,ABC_cF12_216_a_b_c:F-O-Pr +mp-1192358,PrMoO4F,-8.2938425579,-2.9617297468,0.0082065881,0.0082065881,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Pr,28.0,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Pr +mp-1203780,Zr6B(Cl3O4)6,-5.1970103804,-0.9121168192,0.7965262857000001,0.7965262857000001,GGA,Im-3m,AB18C24D6_cI98_229_a_eh_k_e:B-Cl-O-Zr,49.0,AB18C24D6_cI98_229_a_eh_k_e:B-Cl-O-Zr +mp-1223001,LaThUS5,-7.7182276591,-2.1777870716,0.04704364,0.04704364,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:La-S-Th-U,32.0,AB5CD_oP32_19_a_5a_a_a:La-S-Th-U +mp-675741,La10US16,-7.0867780367,-2.3891973356,0.0406898007,0.0406898007,GGA,P-4,A10B16C_tP27_81_g2h_4h_a:La-S-U,27.0,"Invalid WP multiplicities - A10B16C_tP27_81_2g6h_13h_a:La-S-U, expected La28US52 to be La10US16" +mp-1223009,LaU2S5,-7.9997914469,-1.9746568895,0.0265850178,0.0265850178,GGA,Pna2_1,AB5C2_oP32_33_a_5a_2a:La-S-U,32.0,"Invalid WP multiplicities - AB5C2_oP32_33_a_10a_2a:La-S-U, expected La(US5)2 to be LaU2S5" +mp-1199162,La2US5,-7.4768190919,-2.2461098976,0.0,-0.0476174281,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-S-U,32.0,A2B5C_oP32_62_d_3cd_c:La-S-U +mp-1195982,La2ThS5,-7.2154488334,-2.4694336091,0.0,-0.0405015716,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-S-Th,32.0,A2B5C_oP32_62_d_3cd_c:La-S-Th +mp-1222713,LaUS2,-8.0989537825,-1.9738745703,0.04538723,0.04538723,GGA,R-3m,AB2C_hR12_166_a_c_b:La-S-U,4.0,AB2C_hR12_166_a_c_b:La-S-U +mp-1188451,Nd(P3Os)4,-7.3339617871,-0.5905943028,0.0,-0.0128881856,GGA,Im-3,AB4C12_cI34_204_a_c_g:Nd-Os-P,17.0,AB4C12_cI34_204_a_c_g:Nd-Os-P +mp-1206657,NdPOs2C,-8.827997666,-0.4550276077,0.1579254505,0.1579254505,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Nd-Os-P,10.0,ABC2D_oC20_63_a_c_f_c:C-Nd-Os-P +mp-18371,Cs2W3SeO12,-7.8662224736,-2.115035171,0.0,-0.0414508753,GGA+U,P6_3,A2B12CD3_hP36_173_2b_4c_a_c:Cs-O-Se-W,36.0,"Invalid WP multiplicities - A2B12CD3_hP36_173_4b_4c_a_c:Cs-O-Se-W, expected Cs4W3SeO12 to be Cs2W3SeO12" +mp-1207062,Tm3TlS6,-3.33816511,0.7227197518,2.6440274985,2.6440274985,GGA,Cmmm,A6BC3_oC20_65_kp_a_de:S-Tl-Tm,10.0,A6BC3_oC20_65_kp_a_de:S-Tl-Tm +mp-1208092,TmTlS2O9,-6.62027152,-2.0332271581,0.2062706064,0.2062706064,GGA,P2_1/c,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Tm,52.0,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Tm +mp-1208214,Tm2(SO4)3,-7.4259909675,-2.6776800862,0.0,-0.3595381074,GGA,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-S-Tm,68.0,A12B3C2_oP68_60_6d_cd_d:O-S-Tm +mp-8763,Tm2S2O,-7.413519249,-2.9792673907,0.0227854756,0.0227854756,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-S-Tm,20.0,AB2C2_mP20_14_e_2e_2e:O-S-Tm +mp-3556,Tm2SO2,-8.222379714,-3.6260800868,0.0,-0.0896950403,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-S-Tm,5.0,A2BC2_hP5_164_d_a_d:O-S-Tm +mp-1208357,Tm2S3O20,-5.972078875,-1.1602870881,0.6605353705,0.6605353705,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-S-Tm,50.0,A20B3C2_mC100_15_10f_ef_f:O-S-Tm +mp-1066791,TmTlS2,-5.514078985,-1.7362344091000002,0.0,-0.0582240177,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Tl-Tm,4.0,A2BC_hR12_166_c_a_b:S-Tl-Tm +mp-1211126,LiSc(WO4)2,-8.7740708846,-2.6298073744,0.0,-0.0206015799,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Li-O-Sc-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Li-O-Sc-W +mp-1247240,MnRuN2,-8.8673496994,-0.0899977789,0.1490899644,0.1490899644,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Ru,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Ru +mp-1246408,Mn4RuN4,-9.027217435,-0.2196126119,0.205432265,0.205432265,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mn-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Mn-N-Ru +mp-1245422,Mn2RuN3,-8.8009294129,-0.0329430964,0.2858405613,0.2858405613,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Ru,24.0,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Ru +mp-1247394,Mn2RuN3,-8.99061886,-0.2226325435,0.0961511142,0.0961511142,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mn-N-Ru,12.0,A2B3C_oC24_36_b_ab_a:Mn-N-Ru +mp-1245343,Mn3Ru8N9,-8.6767515632,0.1587344628,0.3021871088,0.3021871088,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Ru,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Ru +mp-569321,Mn2Ru(CN)6,-8.8462214227,0.0197382859,0.147251749,0.147251749,GGA,P-31m,A6B2C6D_hP15_162_k_c_k_b:C-Mn-N-Ru,15.0,A6B2C6D_hP15_162_k_c_k_b:C-Mn-N-Ru +mp-510541,RbGd(WO4)2,-9.3679862625,-2.6557840573,0.0,-0.0239938932,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Gd-O-Rb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Gd-O-Rb-W +mp-14377,KTaGeO5,-8.0435874703,-2.7530064718,0.0,-0.0218351803,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Ge-K-O-Ta,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_4a_4a_13a_3a:Ge-K-O-Ta, expected K4Ta3Ge4O13 to be KTaGeO5" +mp-540631,KTa(GeO3)3,-7.5801297014,-2.4831683769,0.0,-0.0194842232,GGA,P-6c2,A3BC9D_hP28_188_k_a_kl_c:Ge-K-O-Ta,28.0,A3BC9D_hP28_188_k_a_kl_c:Ge-K-O-Ta +mp-1196330,Tc8Br13O2,-5.5607191452,-0.6490731768,0.2385374335,0.2385374335,GGA,P2_1/c,A13B2C8_mP46_14_a6e_e_4e:Br-O-Tc,46.0,A13B2C8_mP46_14_a6e_e_4e:Br-O-Tc +mp-1179410,Tc4Br7O,-5.3803271913,-0.6086236245000001,0.2893186122,0.2893186122,GGA,P2_1/c,A7BC4_mP48_14_7e_e_4e:Br-O-Tc,48.0,A7BC4_mP48_14_7e_e_4e:Br-O-Tc +mp-1079026,Tc(Br3O)2,-2.7973880533,0.4884104297,1.1887948215,1.1887948215,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-O-Tc,9.0,A6B2C_cF36_225_e_c_a:Br-O-Tc +mp-680571,Tc(CO)5,-8.4114334466,-1.026214359,0.2118934935,0.2118934935,GGA,C2/c,A5B5C_mC88_15_5f_5f_f:C-O-Tc,44.0,"Invalid WP multiplicities - A5B5C_mC88_15_19f_15f_f:C-O-Tc, expected TcC19O15 to be Tc(CO)5" +mp-1095287,ScTlP2S7,-5.3896058236,-0.9826179752,0.0,-0.0073511509,GGA,C2,A2B7CD_mC22_5_c_a3c_a_b:P-S-Sc-Tl,11.0,A2B7CD_mC22_5_c_a3c_a_b:P-S-Sc-Tl +mp-849502,LiVF3,-6.3174870766,-2.9720339087000003,0.0943156014,0.0943156014,GGA+U,P-1,A3BC_aP90_2_27i_9i_9i:F-Li-V,90.0,"Invalid WP multiplicities - A3BC_aP90_2_53i_17i_17i:F-Li-V, expected Li17V17F53 to be LiVF3" +mp-752619,LiVF3,-6.332621882,-2.9871687142,0.079180796,0.079180796,GGA+U,P2_1/m,A3BC_mP10_11_ef_e_e:F-Li-V,10.0,"Invalid WP multiplicities - A3BC_oC20_63_c2f_c_c:F-Li-V, expected LiVF5 to be LiVF3" +mp-777676,LiVF3,-6.341531127,-2.9960779592,0.070271551,0.070271551,GGA+U,C2/c,A3BC_mC40_15_3f_f_2e:F-Li-V,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_3e:F-Li-V, expected Li2V3F18 to be LiVF3" +mp-756643,LiVF3,-6.311386476,-2.9659333082,0.100416202,0.100416202,GGA+U,C2/c,A3BC_mC40_15_3f_2e_f:F-Li-V,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_3e_f:F-Li-V, expected Li3V2F18 to be LiVF3" +mp-777894,LiVF3,-6.3842221985,-3.0387690307,0.0275804795,0.0275804795,GGA+U,Pnna,A3BC_oP20_52_de_c_c:F-Li-V,20.0,"Invalid WP multiplicities - A3BC_oP20_52_2d3e_c_c:F-Li-V, expected LiVF8 to be LiVF3" +mp-777893,LiVF3,-6.3906481605,-3.0451949927,0.0211545175,0.0211545175,GGA+U,Pccn,A3BC_oP40_56_cd2e_e_e:F-Li-V,40.0,"Invalid WP multiplicities - A3BC_oP40_56_2c2d7e_e_e:F-Li-V, expected LiVF9 to be LiVF3" +mp-782665,LiVF3,-6.3582894424,-3.0128362745,0.0535132356,0.0535132356,GGA+U,Pbca,A3BC_oP80_61_6c_2c_2c:F-Li-V,80.0,"Invalid WP multiplicities - A3BC_oP80_61_21c_5c_5c:F-Li-V, expected Li5V5F21 to be LiVF3" +mp-752911,LiVF3,-6.3760113795,-3.0305582117,0.0357912985,0.0357912985,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:F-Li-V,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_c_a:F-Li-V, expected LiVF7 to be LiVF3" +mp-752607,LiVF3,-6.366718601,-3.0212654332,0.045084077,0.045084077,GGA+U,R-3,A3BC_hR30_148_f_c_c:F-Li-V,10.0,A3BC_hR30_148_f_c_c:F-Li-V +mp-752764,LiVF3,-6.393293879,-3.0478407112,0.018508799,0.018508799,GGA+U,R3c,A3BC_hR30_161_b_a_a:F-Li-V,10.0,A3BC_hR30_161_b_a_a:F-Li-V +mp-753024,LiVF3,-6.320171929,-2.9747187612,0.091630749,0.091630749,GGA+U,P6_3/mmc,A3BC_hP10_194_h_c_a:F-Li-V,10.0,A3BC_hP10_194_h_c_a:F-Li-V +mp-778509,LiVF3,-6.3406433275000005,-2.9951901597,0.0711593505,0.0711593505,GGA+U,P2_13,A3BC_cP20_198_b_a_a:F-Li-V,20.0,A3BC_cP20_198_b_a_a:F-Li-V +mp-777551,LiVF3,-6.374644575,-3.0291914072,0.037158103,0.037158103,GGA+U,P2_13,A3BC_cP20_198_b_a_a:F-Li-V,20.0,A3BC_cP20_198_b_a_a:F-Li-V +mp-859116,Li4VF6,-5.5002838055000005,-2.9376955017,0.1829786018,0.1829786018,GGA+U,Cc,A6B4C_mC44_9_6a_4a_a:F-Li-V,22.0,"Invalid WP multiplicities - A6B4C_mC44_9_12a_7a_a:F-Li-V, expected Li7VF12 to be Li4VF6" +mp-857358,Li4VF6,-5.6273423105,-3.0647540067,0.0559200968,0.0559200968,GGA+U,P2_1/c,A6B4C_mP22_14_3e_2e_a:F-Li-V,22.0,"Invalid WP multiplicities - A6B4C_mP22_14_11e_3e_a:F-Li-V, expected Li6VF22 to be Li4VF6" +mp-859099,Li4VF6,-5.5902075318,-3.027619228,0.0930548755,0.0930548755,GGA+U,Pbam,A6B4C_oP22_55_g2h_gh_a:F-Li-V,22.0,"Invalid WP multiplicities - A6B4C_oP22_55_4g5h_3g2h_a:F-Li-V, expected Li10VF18 to be Li4VF6" +mp-753340,Li4VF8,-5.5584139323,-3.0959962956,0.0596712823,0.0596712823,GGA+U,P2,A8B4C_mP13_3_4e_a2bc_a:F-Li-V,13.0,"Invalid WP multiplicities - A8B4C_mP13_3_7e_a2bc_c:F-Li-V, expected Li4VF14 to be Li4VF8" +mp-759896,Li4VF8,-5.5290599079,-3.0666422712,0.0890253067,0.0890253067,GGA+U,Pnma,A8B4C_oP52_62_2c3d_2d_c:F-Li-V,52.0,"Invalid WP multiplicities - A8B4C_oP52_62_8c9d_5d_c:F-Li-V, expected Li10VF26 to be Li4VF8" +mp-559701,LiV2F6,-6.6550944561000005,-3.1500268104,0.0,-0.0028484672,GGA+U,P4_2/mnm,A6BC2_tP18_136_fj_a_e:F-Li-V,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_f2j_a_e:F-Li-V, expected LiV2F10 to be LiV2F6" +mp-767706,LiV2F7,-6.4874842390000005,-3.1417754611,0.079520682,0.079520682,GGA+U,P-1,A7BC2_aP20_2_7i_i_2i:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_aP20_2_13i_i_3i:F-Li-V, expected LiV3F13 to be LiV2F7" +mp-759851,LiV2F7,-6.5028146945,-3.1571059166,0.0641902265,0.0641902265,GGA+U,Pc,A7BC2_mP40_7_14a_2a_4a:F-Li-V,40.0,A7BC2_mP40_7_28a_4a_8a:F-Li-V +mp-767641,LiV2F7,-6.4780395795,-3.1323308016,0.0889653415,0.0889653415,GGA+U,Cc,A7BC2_mC40_9_7a_a_2a:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_mC40_9_14a_a_2a:F-Li-V, expected LiV2F14 to be LiV2F7" +mp-776616,LiV2F7,-6.4879111705,-3.1422023926,0.0790937505,0.0790937505,GGA+U,P2/c,A7BC2_mP20_13_e3g_f_g:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_mP20_13_e5g_f_g:F-Li-V, expected LiV2F11 to be LiV2F7" +mp-776726,LiV2F7,-6.432241883,-3.0865331051,0.134763038,0.134763038,GGA+U,P2_1/c,A7BC2_mP40_14_7e_e_2e:F-Li-V,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_23e_e_3e:F-Li-V, expected LiV3F23 to be LiV2F7" +mp-756227,LiV2F7,-6.550931151,-3.2052223731,0.01607377,0.01607377,GGA+U,C2/c,A7BC2_mC40_15_e3f_c_f:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_mC40_15_e5f_a_f:F-Li-V, expected LiV2F11 to be LiV2F7" +mp-755889,LiV2F7,-6.496769168,-3.1510603901,0.070235753,0.070235753,GGA+U,C2/c,A7BC2_mC40_15_c3f_e_f:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_mC40_15_a6f_e_f:F-Li-V, expected LiV2F13 to be LiV2F7" +mp-759752,LiV2F7,-6.4852434133,-3.1395346353,0.0817615077,0.0817615077,GGA+U,Pnma,A7BC2_oP40_62_3c2d_c_d:F-Li-V,40.0,"Invalid WP multiplicities - A7BC2_oP40_62_12c5d_c_d:F-Li-V, expected LiV2F22 to be LiV2F7" +mp-756996,LiV2F7,-6.5290830525,-3.1833742746,0.0379218685,0.0379218685,GGA+U,Imma,A7BC2_oI40_74_ehj_a_bc:F-Li-V,20.0,"Invalid WP multiplicities - A7BC2_oI40_74_2e4h3j_a_bc:F-Li-V, expected LiV2F22 to be LiV2F7" +mp-1391106,CaVF6,-6.2829727363,-3.4631752669,0.0,-0.0028369881,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-V,8.0,AB6C_hR24_148_a_f_b:Ca-F-V +mp-759570,LiV5F11,-6.9637915653,-2.9429255736,0.07655566,0.07655566,GGA+U,P2_1/c,A11BC5_mP68_14_11e_e_5e:F-Li-V,68.0,"Invalid WP multiplicities - A11BC5_mP68_14_41e_e_19e:F-Li-V, expected LiV19F41 to be LiV5F11" +mp-780730,Li5V3F14,-6.0522280685,-3.1632717918,0.0540088353,0.0540088353,GGA+U,Pna2_1,A14B5C3_oP88_33_14a_5a_3a:F-Li-V,88.0,"Invalid WP multiplicities - A14B5C3_oP88_33_53a_17a_9a:F-Li-V, expected Li17V9F53 to be Li5V3F14" +mp-764769,Li4VF7,-5.6388725012,-3.1305433088,0.0746708183,0.0746708183,GGA+U,C2/c,A7B4C_mC48_15_e3f_2f_e:F-Li-V,24.0,"Invalid WP multiplicities - A7B4C_mC48_15_e8f_3f_e:F-Li-V, expected Li6VF17 to be Li4VF7" +mp-753113,Li4VF7,-5.7009222142,-3.1925930217,0.0126211054,0.0126211054,GGA+U,F-43m,A7B4C_cF48_216_cf_e_a:F-Li-V,12.0,"Invalid WP multiplicities - A7B4C_cF48_216_c2f_e_a:F-Li-V, expected Li4VF13 to be Li4VF7" +mp-759458,LiV2F5,-6.66954244,-2.9652762095,0.0761745288,0.0761745288,GGA+U,C2/c,A5BC2_mC32_15_e2f_a_f:F-Li-V,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_2e6f_c_f:F-Li-V, expected LiV2F14 to be LiV2F5" +mp-758252,LiV2F5,-6.6820199894,-2.9777537589,0.0636969794,0.0636969794,GGA+U,Cmcm,A5BC2_oC32_63_c2f_c_f:F-Li-V,16.0,"Invalid WP multiplicities - A5BC2_oC32_63_c4f_c_f:F-Li-V, expected LiV2F9 to be LiV2F5" +mp-753599,LiVF6,-5.7343194763,-2.9266066335,0.04568563,-0.0302581709,GGA+U,P2_1,A6BC_mP16_4_6a_a_a:F-Li-V,16.0,"Invalid WP multiplicities - A6BC_mP16_4_12a_a_a:F-Li-V, expected LiVF12 to be LiVF6" +mp-760194,LiVF6,-5.7540627152,-2.9463498724,0.0259423911,-0.0500014098,GGA+U,Pc,A6BC_mP64_7_24a_4a_4a:F-Li-V,64.0,A6BC_mP64_7_48a_8a_8a:F-Li-V +mp-753694,LiVF6,-5.7300981812,-2.9223853385,0.049906925,-0.0260368759,GGA+U,Cm,A6BC_mC16_8_2a2b_a_a:F-Li-V,8.0,"Invalid WP multiplicities - A6BC_mC16_8_2a4b_a_a:F-Li-V, expected LiVF10 to be LiVF6" +mp-753567,LiVF6,-5.7513252438,-2.943612401,0.0286798625,-0.0472639384,GGA+U,Cc,A6BC_mC32_9_6a_a_a:F-Li-V,16.0,"Invalid WP multiplicities - A6BC_mC32_9_9a_a_a:F-Li-V, expected LiVF9 to be LiVF6" +mp-759960,LiVF6,-5.7408880183,-2.9331751756,0.0391170879,-0.036826713,GGA+U,Cc,A6BC_mC96_9_18a_3a_3a:F-Li-V,48.0,"Invalid WP multiplicities - A6BC_mC96_9_32a_3a_5a:F-Li-V, expected Li3V5F32 to be LiVF6" +mp-2710677,LiVF6,-5.7800051062,-2.9722922635,0.0,-0.0759438009,GGA+U,C2/m,A6BC_mC16_12_ij_a_d:F-Li-V,8.0,"Invalid WP multiplicities - A6BC_mC16_12_2i3j_a_d:F-Li-V, expected LiVF16 to be LiVF6" +mp-777453,LiVF6,-5.7174346228,-2.9097217801,0.0625704834,-0.0133733175,GGA+U,P2_1/c,A6BC_mP32_14_6e_e_e:F-Li-V,32.0,"Invalid WP multiplicities - A6BC_mP32_14_11e_e_e:F-Li-V, expected LiVF11 to be LiVF6" +mp-761168,LiVF6,-5.7277029419000005,-2.9199900992,0.0523021644,-0.0236416366,GGA+U,P2_1/c,A6BC_mP32_14_6e_e_e:F-Li-V,32.0,"Invalid WP multiplicities - A6BC_mP32_14_23e_e_e:F-Li-V, expected LiVF23 to be LiVF6" +mp-753604,LiVF6,-5.7739701481,-2.9662573054,0.0060349581,-0.0699088428,GGA+U,P2_1/c,A6BC_mP16_14_3e_a_d:F-Li-V,16.0,"Invalid WP multiplicities - A6BC_mP16_14_9e_a_b:F-Li-V, expected LiVF18 to be LiVF6" +mp-760202,LiVF6,-5.7538933163,-2.9461804735,0.02611179,-0.0498320109,GGA+U,Pna2_1,A6BC_oP32_33_6a_a_a:F-Li-V,32.0,"Invalid WP multiplicities - A6BC_oP32_33_21a_a_a:F-Li-V, expected LiVF21 to be LiVF6" +mp-753628,LiVF6,-5.756062895,-2.9483500523,0.0239422112,-0.0520015897,GGA+U,Cmc2_1,A6BC_oC32_36_2a2b_a_a:F-Li-V,16.0,"Invalid WP multiplicities - A6BC_oC32_36_3a8b_a_a:F-Li-V, expected LiVF19 to be LiVF6" +mp-753573,LiVF6,-5.7534572281,-2.9457443854000003,0.0265478781,-0.0493959228,GGA+U,P4_2nm,A6BC_tP16_102_3c_a_a:F-Li-V,16.0,"Invalid WP multiplicities - A6BC_tP16_102_10c_a_a:F-Li-V, expected LiVF20 to be LiVF6" +mp-757163,LiVF6,-5.7527525562,-2.9450397135,0.02725255,-0.0486912509,GGA+U,P312,A6BC_hP8_149_l_a_d:F-Li-V,8.0,A6BC_hP8_149_l_a_d:F-Li-V +mp-753212,LiVF6,-5.7208913775,-2.9131785348,0.0591137287,-0.0168300722,GGA+U,P3m1,A6BC_hP8_156_2d_a_b:F-Li-V,8.0,"Invalid WP multiplicities - A6BC_hP8_156_4d_a_b:F-Li-V, expected LiVF12 to be LiVF6" +mp-1176528,LiVF6,-5.7274706356,-2.9197577929,0.0525344706,-0.0234093303,GGA+U,P-31c,A6BC_hP16_163_i_a_c:F-Li-V,16.0,A6BC_hP16_163_i_a_c:F-Li-V +mp-753571,LiVF6,-5.7781973725,-2.9704845298,0.0018077337,-0.0741360672,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Li-V,8.0,A6BC_cF32_225_e_a_b:F-Li-V +mp-764375,Li2VF6,-5.8382364387,-3.1303891489,0.0207108646,-0.0176367526,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-V,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-V +mp-760140,Li2VF6,-5.8376741478,-3.129826858,0.0212731556,-0.0170744617,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-V,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-V +mp-1177787,Li2VF6,-5.8384552443,-3.1306079544,0.0204920591,-0.0178555581,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-V,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-V +mp-1177790,Li2VF6,-5.8362288763,-3.1283815865,0.022718427,-0.0156291902,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-V,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-V +mp-1177791,Li2VF6,-5.8353938209,-3.1275465311,0.0235534824,-0.0147941348,GGA+U,P1,A6B2C_aP54_1_36a_12a_6a:F-Li-V,54.0,A6B2C_aP54_1_36a_12a_6a:F-Li-V +mp-1177797,Li2VF6,-5.8320546664,-3.1242073766,0.0268926369,-0.0114549803,GGA+U,P1,A6B2C_aP72_1_48a_16a_8a:F-Li-V,72.0,A6B2C_aP72_1_48a_16a_8a:F-Li-V +mp-767649,Li2VF6,-5.8145419278,-3.106694638,0.0444053756,0.0060577583,GGA+U,P2_1,A6B2C_mP18_4_6a_2a_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_mP18_4_12a_3a_a:F-Li-V, expected Li3VF12 to be Li2VF6" +mp-753597,Li2VF6,-5.8205374922,-3.1126902024,0.0384098111,6.21939e-05,GGA+U,Pc,A6B2C_mP18_7_6a_2a_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_mP18_7_12a_4a_a:F-Li-V, expected Li4VF12 to be Li2VF6" +mp-767692,Li2VF6,-5.7912522006,-3.0834049107,0.0676951028,0.0293474856,GGA+U,Cc,A6B2C_mC36_9_6a_2a_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_mC36_9_9a_3a_a:F-Li-V, expected Li3VF9 to be Li2VF6" +mp-752779,Li2VF6,-5.7809032511,-3.0730559613,0.0780440522,0.039696435,GGA+U,C2/m,A6B2C_mC18_12_ij_i_a:F-Li-V,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_2i3j_i_a:F-Li-V, expected Li2VF16 to be Li2VF6" +mp-861590,Li2VF6,-5.77072515,-3.0628778602,0.0882221533,0.0498745361,GGA+U,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-V,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_21e_7e_e:F-Li-V, expected Li7VF21 to be Li2VF6" +mp-861175,Li2VF6,-5.7618770208,-3.054029731,0.0970702825,0.0587226653,GGA+U,P2_1/c,A6B2C_mP36_14_6e_2e_e:F-Li-V,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_23e_3e_e:F-Li-V, expected Li3VF23 to be Li2VF6" +mp-759511,Li2VF6,-5.8410912036,-3.1332439138,0.0178560997,-0.0204915175,GGA+U,Pna2_1,A6B2C_oP36_33_6a_2a_a:F-Li-V,36.0,"Invalid WP multiplicities - A6B2C_oP36_33_21a_5a_a:F-Li-V, expected Li5VF21 to be Li2VF6" +mp-859136,Li2VF6,-5.8157644811,-3.1079171913,0.0431828222,0.004835205,GGA+U,Cmc2_1,A6B2C_oC36_36_2a2b_2a_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_oC36_36_3a8b_3a_a:F-Li-V, expected Li3VF19 to be Li2VF6" +mp-755686,Li2VF6,-5.7868658489,-3.0790185591,0.0720814544,0.0337338372,GGA+U,Cmcm,A6B2C_oC36_63_2ch_2c_c:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_oC36_63_3c2h_3c_c:F-Li-V, expected Li3VF11 to be Li2VF6" +mp-776438,Li2VF6,-5.8206254461,-3.1127781563,0.0383218572,-2.576e-05,GGA+U,P4/mnc,A6B2C_tP18_128_eh_d_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_2e3h_d_a:F-Li-V, expected Li2VF16 to be Li2VF6" +mp-753861,Li2VF6,-5.8589473033,-3.1511000135,0.0,-0.0383476172,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:F-Li-V,18.0,"Invalid WP multiplicities - A6B2C_tP18_136_2f3j_e_a:F-Li-V, expected Li2VF16 to be Li2VF6" +mp-753667,Li2VF6,-5.8380208267,-3.1301735369,0.0209264767,-0.0174211406,GGA+U,P-31m,A6B2C_hP9_162_k_c_b:F-Li-V,9.0,A6B2C_hP9_162_k_c_b:F-Li-V +mp-777529,Li2VF6,-5.8541649359,-3.1463176461,0.0047823674,-0.0335652498,GGA+U,P-3m1,A6B2C_hP27_164_3i_g_ad:F-Li-V,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_16i_g_a2d:F-Li-V, expected Li6V5F96 to be Li2VF6" +mp-759839,Li2VF6,-5.7832210722,-3.0753737824,0.0757262311,0.0373786139,GGA+U,P-3m1,A6B2C_hP9_164_i_d_a:F-Li-V,9.0,A6B2C_hP9_164_i_d_a:F-Li-V +mp-758670,Li3VF5,-5.7514992933,-3.0439360147,0.0666779789,0.0666779789,GGA+U,P2_1/c,A5B3C_mP36_14_5e_3e_e:F-Li-V,36.0,"Invalid WP multiplicities - A5B3C_mP36_14_13e_4e_e:F-Li-V, expected Li4VF13 to be Li3VF5" +mp-776691,Li3VF5,-5.7248721174,-3.0173088388,0.0933051549,0.0933051549,GGA+U,Pbca,A5B3C_oP72_61_5c_3c_c:F-Li-V,72.0,"Invalid WP multiplicities - A5B3C_oP72_61_17c_9c_c:F-Li-V, expected Li9VF17 to be Li3VF5" +mp-758694,Li3VF5,-5.7499254783,-3.0423621997,0.0682517939,0.0682517939,GGA+U,Pnma,A5B3C_oP36_62_3cd_cd_c:F-Li-V,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_9c4d_3c2d_c:F-Li-V, expected Li7VF17 to be Li3VF5" +mp-759184,Li3VF5,-5.7435534842,-3.0359902056,0.0746237881,0.0746237881,GGA+U,Pnma,A5B3C_oP36_62_c2d_cd_c:F-Li-V,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_2c7d_3c2d_c:F-Li-V, expected Li7VF16 to be Li3VF5" +mp-860790,Li3VF5,-5.7657715133,-3.0582082347,0.0524057589,0.0524057589,GGA+U,Pnma,A5B3C_oP36_62_3cd_cd_c:F-Li-V,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_11c2d_2c3d_c:F-Li-V, expected Li8VF15 to be Li3VF5" +mp-777887,Li3VF5,-5.7185893207,-3.0110260421,0.0995879515,0.0995879515,GGA+U,P3_121,A5B3C_hP27_152_a2c_bc_a:F-Li-V,27.0,"Invalid WP multiplicities - A5B3C_hP27_152_2a5c_2b3c_a:F-Li-V, expected Li8VF12 to be Li3VF5" +mp-760005,LiV6F13,-6.9933812070000005,-2.9303019138,0.0862500525,0.0862500525,GGA+U,P-1,A13BC6_aP40_2_13i_i_6i:F-Li-V,40.0,"Invalid WP multiplicities - A13BC6_aP40_2_25i_i_11i:F-Li-V, expected LiV11F25 to be LiV6F13" +mp-778241,Li2V3F8,-6.5303269492,-2.9640657428,0.0869614462,0.0869614462,GGA+U,R-3m,A8B2C3_hR39_166_ch_c_d:F-Li-V,13.0,"Invalid WP multiplicities - A8B2C3_hR39_166_c2h_c_d:F-Li-V, expected Li2V3F14 to be Li2V3F8" +mp-1378069,CaVF5,-6.6115575654,-3.66200031,0.0058455282,-0.0104205982,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-V,28.0,AB5C_mP28_14_e_5e_e:Ca-F-V +mp-1401720,CaVF5,-6.6174030936,-3.6678458382,0.0,-0.0162661264,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-V,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Ca-F-V, expected CaVF7 to be CaVF5" +mp-781739,LiV8F33,-6.2653339137,-2.9877392148,0.0302113126,0.0302113126,GGA+U,P31c,A33BC8_hP84_159_11c_b_ab2c:F-Li-V,84.0,"Invalid WP multiplicities - A33BC8_hP84_159_64c_b_a2b6c:F-Li-V, expected LiV21F192 to be LiV8F33" +mp-780844,LiV8F33,-6.2374297851,-2.9598350862,0.0581154411,0.0581154411,GGA+U,P31c,A33BC8_hP84_159_11c_b_ab2c:F-Li-V,84.0,"Invalid WP multiplicities - A33BC8_hP84_159_64c_b_a2b6c:F-Li-V, expected LiV21F192 to be LiV8F33" +mp-863369,Li4V2F9,-5.9942390677,-3.1271181134,0.0370437453,0.0370437453,GGA+U,P-3c1,A9B4C2_hP30_165_fg_2d_c:F-Li-V,30.0,"Invalid WP multiplicities - A9B4C2_hP30_165_6f5g_7d_c:F-Li-V, expected Li7VF24 to be Li4V2F9" +mp-760009,Li5VF8,-5.5318765302,-3.1089942342,0.0906099602,0.0906099602,GGA+U,P2_1/c,A8B5C_mP56_14_8e_5e_e:F-Li-V,56.0,"Invalid WP multiplicities - A8B5C_mP56_14_31e_17e_e:F-Li-V, expected Li17VF31 to be Li5VF8" +mp-765894,Li5VF8,-5.5754166,-3.152534304,0.0470698904,0.0470698904,GGA+U,Cmmm,A8B5C_oC28_65_ghn_am_d:F-Li-V,14.0,"Invalid WP multiplicities - A8B5C_oC28_65_2g2hn_a2m_d:F-Li-V, expected Li9VF12 to be Li5VF8" +mp-753236,Li5VF8,-5.56685898,-3.143976684,0.0556275104,0.0556275104,GGA+U,Immm,A8B5C_oI28_71_efl_ak_c:F-Li-V,14.0,"Invalid WP multiplicities - A8B5C_oI28_71_2ef3l_c2k_a:F-Li-V, expected Li9VF18 to be Li5VF8" +mp-752901,Li3V2F8,-6.1105723665,-3.096232945,0.0676546462,0.0676546462,GGA+U,P2_1/c,A8B3C2_mP26_14_4e_ae_e:F-Li-V,26.0,"Invalid WP multiplicities - A8B3C2_mP26_14_11e_a2e_e:F-Li-V, expected Li5V2F22 to be Li3V2F8" +mp-754362,Li3V2F9,-6.0752817129,-3.139718038,0.078314838,0.078314838,GGA+U,C2,A9B3C2_mC28_5_a4c_ac_c:F-Li-V,14.0,"Invalid WP multiplicities - A9B3C2_mC28_5_a8c_a2c_c:F-Li-V, expected Li5V2F17 to be Li3V2F9" +mp-767772,Li3V2F9,-6.1012937486,-3.1657300737,0.0523028023,0.0523028023,GGA+U,P3c1,A9B3C2_hP28_158_3d_2ab_2c:F-Li-V,28.0,"Invalid WP multiplicities - A9B3C2_hP28_158_14d_3ab_3c:F-Li-V, expected Li4V3F42 to be Li3V2F9" +mp-767631,Li3VF6,-5.795925852,-3.1679710045,0.0450970285,0.032175615,GGA+U,P2_1,A6B3C_mP20_4_6a_3a_a:F-Li-V,20.0,"Invalid WP multiplicities - A6B3C_mP20_4_12a_5a_a:F-Li-V, expected Li5VF12 to be Li3VF6" +mp-767671,Li3VF6,-5.7696830785,-3.141728231,0.071339802,0.0584183885,GGA+U,Cc,A6B3C_mC40_9_6a_3a_a:F-Li-V,20.0,"Invalid WP multiplicities - A6B3C_mC40_9_9a_4a_a:F-Li-V, expected Li4VF9 to be Li3VF6" +mp-753390,Li3VF6,-5.809708062,-3.1817532145,0.0313148185,0.018393405,GGA+U,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-Li-V,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_9e_2a2e_b:F-Li-V, expected Li6VF18 to be Li3VF6" +mp-21633,Li3VF6,-5.8410228805,-3.213068033,0.0,-0.0129214135,GGA+U,C2/c,A6B3C_mC120_15_9f_e4f_af:F-Li-V,60.0,"Invalid WP multiplicities - A6B3C_mC120_15_11f_2e5f_cf:F-Li-V, expected Li12V3F22 to be Li3VF6" +mp-776733,Li3VF6,-5.7964265717,-3.1684717242,0.0445963088,0.0316748953,GGA+U,C2/c,A6B3C_mC80_15_6f_3f_ce:F-Li-V,40.0,"Invalid WP multiplicities - A6B3C_mC80_15_17f_9f_ae:F-Li-V, expected Li9VF17 to be Li3VF6" +mp-759464,Li3VF6,-5.833932441,-3.2059775935,0.0070904395,-0.005830974,GGA+U,Pna2_1,A6B3C_oP40_33_6a_3a_a:F-Li-V,40.0,"Invalid WP multiplicities - A6B3C_oP40_33_21a_9a_a:F-Li-V, expected Li9VF21 to be Li3VF6" +mp-777528,Li3VF6,-5.788901647,-3.1609467995,0.0521212335,0.03919982,GGA+U,R-3,A6B3C_hR60_148_2f_f_ab:F-Li-V,20.0,"Invalid WP multiplicities - A6B3C_hR60_148_7f_f_ab:F-Li-V, expected Li3VF21 to be Li3VF6" +mp-765499,Li3VF6,-5.754882215,-3.1269273675,0.0861406655,0.073219252,GGA+U,P-31m,A6B3C_hP10_162_k_ac_b:F-Li-V,10.0,A6B3C_hP10_162_k_ac_b:F-Li-V +mp-777681,Li3VF6,-5.8062086735000005,-3.178253826,0.034814207,0.0218927935,GGA+U,P-31c,A6B3C_hP20_163_i_af_c:F-Li-V,20.0,"Invalid WP multiplicities - A6B3C_hP20_163_i_a2f_c:F-Li-V, expected Li5VF6 to be Li3VF6" +mp-1111067,Li3VF6,-5.546460256,-2.9185054085,0.2945626245,0.281641211,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Li-V,10.0,A6B3C_cF40_225_e_ac_b:F-Li-V +mp-765804,Li6VF8,-5.464969786,-3.076351452,0.0563947833,0.0563947833,GGA+U,Fm-3m,A8B6C_cF60_225_ce_d_a:F-Li-V,15.0,"Invalid WP multiplicities - A8B6C_cF60_225_c2e_d_a:F-Li-V, expected Li6VF14 to be Li6VF8" +mp-1387359,CaVF4,-6.6685912867,-3.5460209833,0.0660959567,0.0660959567,GGA+U,C2/c,AB4C_mC24_15_e_2f_c:Ca-F-V,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_7f_a:Ca-F-V, expected CaVF14 to be CaVF4" +mp-756129,LiV2F9,-6.1247488308,-3.0180783547,0.0398170185,0.0398170185,GGA+U,P-1,A9BC2_aP24_2_9i_i_2i:F-Li-V,24.0,"Invalid WP multiplicities - A9BC2_aP24_2_17i_i_3i:F-Li-V, expected LiV3F17 to be LiV2F9" +mp-767723,LiV2F9,-6.1233476058,-3.0166771297,0.0412182435,0.0412182435,GGA+U,Cc,A9BC2_mC48_9_9a_a_2a:F-Li-V,24.0,"Invalid WP multiplicities - A9BC2_hP24_188_6k6l_a_h:F-Li-V, expected LiV2F54 to be LiV2F9" +mp-1176613,LiV2F9,-6.1259406292,-3.019270153,0.0386252202,0.0386252202,GGA+U,Pnma,A9BC2_oP48_62_c4d_c_d:F-Li-V,48.0,"Invalid WP multiplicities - A9BC2_oP48_62_4c13d_c_d:F-Li-V, expected LiV2F30 to be LiV2F9" +mp-760823,Li11V4F24,-5.8165971318,-3.1702055668,0.028562154,0.028562154,GGA+U,I4_1/a,A24B11C4_tI156_88_6f_ae2f_cd:F-Li-V,78.0,"Invalid WP multiplicities - A24B11C4_tI156_88_39f_2a4e9f_2c3d:F-Li-V, expected Li23V5F78 to be Li11V4F24" +mp-760146,Li2VF5,-5.9735171441,-3.166123814,0.0498403775,0.0498403775,GGA+U,Pc,A5B2C_mP32_7_10a_4a_2a:F-Li-V,32.0,A5B2C_mP32_7_10a_4a_2a:F-Li-V +mp-778506,Li2VF5,-5.9823303875,-3.1749370574,0.0410271341,0.0410271341,GGA+U,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_15e_5e_e:F-Li-V, expected Li5VF15 to be Li2VF5" +mp-777680,Li2VF5,-5.9631931941000005,-3.155799864,0.0601643275,0.0601643275,GGA+U,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_mP32_14_19e_7e_e:F-Li-V, expected Li7VF19 to be Li2VF5" +mp-780657,Li2VF5,-5.9438166026,-3.1364232725,0.079540919,0.079540919,GGA+U,P2_1/c,A5B2C_mP96_14_15e_6e_3e:F-Li-V,96.0,"Invalid WP multiplicities - A5B2C_mP96_14_45e_11e_5e:F-Li-V, expected Li11V5F45 to be Li2VF5" +mp-754000,Li2VF5,-6.016090455,-3.2086971249,0.0072670666,0.0072670666,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_a:F-Li-V,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_2e6f_f_c:F-Li-V, expected Li2VF14 to be Li2VF5" +mp-753643,Li2VF5,-5.9510091237000005,-3.1436157936,0.0723483978,0.0723483978,GGA+U,C2/c,A5B2C_mC32_15_e2f_f_c:F-Li-V,16.0,"Invalid WP multiplicities - A5B2C_mC32_15_2e6f_f_a:F-Li-V, expected Li2VF14 to be Li2VF5" +mp-759539,Li2VF5,-5.9740519941,-3.166658664,0.0493055275,0.0493055275,GGA+U,P2_12_12_1,A5B2C_oP32_19_5a_2a_a:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_19_18a_5a_a:F-Li-V, expected Li5VF18 to be Li2VF5" +mp-767605,Li2VF5,-5.9810882938,-3.1736949636,0.0422692278,0.0422692278,GGA+U,Pna2_1,A5B2C_oP32_33_5a_2a_a:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_33_17a_5a_a:F-Li-V, expected Li5VF17 to be Li2VF5" +mp-777807,Li2VF5,-5.9373092955,-3.1299159654,0.0860482261,0.0860482261,GGA+U,Pbam,A5B2C_oP64_55_2g2h3i_2g2h_gh:F-Li-V,64.0,"Invalid WP multiplicities - A5B2C_oP64_55_5g8h12i_8g5h_2g3h:F-Li-V, expected Li13V5F37 to be Li2VF5" +mp-777901,Li2VF5,-5.9681418309000005,-3.1607485008,0.0552156906,0.0552156906,GGA+U,Pnma,A5B2C_oP32_62_a2cd_2c_c:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_2a6c4d_5c_c:F-Li-V, expected Li5VF16 to be Li2VF5" +mp-863384,Li2VF5,-5.9554594634,-3.1480661333,0.0678980581,0.0678980581,GGA+U,Pnma,A5B2C_oP32_62_3cd_d_c:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_9c4d_d_c:F-Li-V, expected Li2VF17 to be Li2VF5" +mp-767661,Li2VF5,-5.9727154803,-3.1653221502,0.0506420413,0.0506420413,GGA+U,Pnma,A5B2C_oP32_62_c2d_d_c:F-Li-V,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_4c5d_d_c:F-Li-V, expected Li2VF14 to be Li2VF5" +mp-1177798,Li2VF5,-5.9772990353,-3.1699057052,0.0460584863,0.0460584863,GGA+U,Pnma,A5B2C_oP64_62_4c3d_2cd_2c:F-Li-V,64.0,"Invalid WP multiplicities - A5B2C_oP64_62_13c11d_5c3d_5c:F-Li-V, expected Li11V5F35 to be Li2VF5" +mp-767769,LiVF5,-6.0246956921,-3.0889494387,0.0088907804,0.0088907804,GGA+U,P-1,A5BC_aP14_2_5i_i_ab:F-Li-V,14.0,"Invalid WP multiplicities - A5BC_aP14_2_8i_i_ab:F-Li-V, expected LiVF8 to be LiVF5" +mp-765480,LiVF5,-5.9891939364,-3.053447683,0.0443925361,0.0443925361,GGA+U,P2_1,A5BC_mP28_4_10a_2a_2a:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_4_19a_3a_3a:F-Li-V, expected Li3V3F19 to be LiVF5" +mp-760294,LiVF5,-5.9981097746,-3.0623635212,0.0354766979,0.0354766979,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_mP56_14_39e_7e_5e:F-Li-V, expected Li7V5F39 to be LiVF5" +mp-760031,LiVF5,-5.985941552,-3.0501952985,0.0476449205,0.0476449205,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_mP56_14_39e_3e_3e:F-Li-V, expected LiVF13 to be LiVF5" +mp-758606,LiVF5,-6.0256840914,-3.089937838,0.0079023811,0.0079023811,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_19e_e_e:F-Li-V, expected LiVF19 to be LiVF5" +mp-759186,LiVF5,-5.9551256436,-3.0193793901,0.0784608289,0.0784608289,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_17e_e_e:F-Li-V, expected LiVF17 to be LiVF5" +mp-759086,LiVF5,-6.006510343,-3.0707640896,0.0270761295,0.0270761295,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_mP56_14_37e_5e_7e:F-Li-V, expected Li5V7F37 to be LiVF5" +mp-849361,LiVF5,-5.9717545311,-3.0360082776,0.0618319414,0.0618319414,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_17e_e_e:F-Li-V, expected LiVF17 to be LiVF5" +mp-766954,LiVF5,-6.0286789154,-3.0929326619,0.0049075571,0.0049075571,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_9e_e_e:F-Li-V, expected LiVF9 to be LiVF5" +mp-753782,LiVF5,-6.0024425332,-3.0666962798,0.0311439393,0.0311439393,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_19e_e_e:F-Li-V, expected LiVF19 to be LiVF5" +mp-765781,LiVF5,-5.9675481,-3.0318018465,0.0660383725,0.0660383725,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Li-V,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e7f_c_e:F-Li-V, expected LiVF16 to be LiVF5" +mp-761275,LiVF5,-6.0333008779,-3.0975546244,0.0002855946,0.0002855946,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Li-V,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e5f_e_a:F-Li-V, expected LiVF12 to be LiVF5" +mp-760330,LiVF5,-6.0142214079,-3.0784751544,0.0193650646,0.0193650646,GGA+U,Pna2_1,A5BC_oP56_33_10a_2a_2a:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_oP56_33_28a_4a_7a:F-Li-V, expected Li4V7F28 to be LiVF5" +mp-767589,LiVF5,-5.9578806475,-3.022134394,0.075705825,0.075705825,GGA+U,Pna2_1,A5BC_oP28_33_5a_a_a:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oP28_33_17a_a_a:F-Li-V, expected LiVF17 to be LiVF5" +mp-767672,LiVF5,-5.9841010671,-3.0483548137,0.0494854054,0.0494854054,GGA+U,Pna2_1,A5BC_oP28_33_5a_a_a:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oP28_33_20a_a_a:F-Li-V, expected LiVF20 to be LiVF5" +mp-760803,LiVF5,-6.0311459879,-3.0953997344,0.0024404846,0.0024404846,GGA+U,Pnma,A5BC_oP56_62_4c3d_2c_2c:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_oP56_62_13c11d_3c_4c:F-Li-V, expected Li3V4F35 to be LiVF5" +mp-755750,LiVF5,-5.9469572646,-3.0112110112,0.0866292079,0.0866292079,GGA+U,Pnma,A5BC_oP28_62_c2d_c_c:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oP28_62_2c7d_c_c:F-Li-V, expected LiVF16 to be LiVF5" +mp-766925,LiVF5,-6.0181324468,-3.0823861933,0.0154540257,0.0154540257,GGA+U,Pnma,A5BC_oP28_62_3cd_c_c:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oP28_62_9c4d_c_c:F-Li-V, expected LiVF17 to be LiVF5" +mp-767609,LiVF5,-6.0283894132,-3.0926431598,0.0051970593,0.0051970593,GGA+U,Pnma,A5BC_oP28_62_3cd_c_c:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oP28_62_11c2d_c_c:F-Li-V, expected LiVF15 to be LiVF5" +mp-758646,LiVF5,-5.9482413339,-3.0124950805,0.0853451386,0.0853451386,GGA+U,Cmce,A5BC_oC56_64_d2fg_d_f:F-Li-V,28.0,"Invalid WP multiplicities - A5BC_oC56_64_4d7f4g_d_f:F-Li-V, expected LiVF19 to be LiVF5" +mp-759035,LiVF5,-5.9652127257,-3.0294664723,0.0683737468,0.0683737468,GGA+U,P4/n,A5BC_tP14_85_cg_a_c:F-Li-V,14.0,"Invalid WP multiplicities - A5BC_tP14_85_2c2g_a_c:F-Li-V, expected LiVF10 to be LiVF5" +mp-776762,LiVF5,-6.0147502679,-3.0790040144,0.0188362046,0.0188362046,GGA+U,I4_1/a,A5BC_tI112_88_5f_f_f:F-Li-V,56.0,"Invalid WP multiplicities - A5BC_tI112_88_23f_f_f:F-Li-V, expected LiVF23 to be LiVF5" +mp-753288,Li3VF8,-5.4529385225,-2.9443963217,0.09244672,0.09244672,GGA+U,C2/m,A8B3C_mC24_12_gh2i_ae_d:F-Li-V,12.0,"Invalid WP multiplicities - A8B3C_mC24_12_gh4i_ce_b:F-Li-V, expected Li3VF12 to be Li3VF8" +mp-753533,Li3VF8,-5.4489558858,-2.940413685,0.0964293567,0.0964293567,GGA+U,C222,A8B3C_oC24_21_efl_ak_d:F-Li-V,12.0,"Invalid WP multiplicities - A8B3C_oC24_21_2e2fl_a2k_d:F-Li-V, expected Li5VF12 to be Li3VF8" +mp-1211094,LiCaVF6,-6.2867658128,-3.5681766326,0.0,-0.0069408789,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Ca-F-Li-V,18.0,AB6CD_hP18_163_b_i_c_d:Ca-F-Li-V +mp-1176824,Li9V8F48,-5.7420313114,-2.9481460068,0.0489042529,0.0489042529,GGA+U,P1,A48B9C8_aP65_1_48a_9a_8a:F-Li-V,65.0,A48B9C8_aP65_1_48a_9a_8a:F-Li-V +mp-776128,Li3V4F19,-6.0269545467,-3.0123201905,0.0670839459,0.0670839459,GGA+U,P-1,A19B3C4_aP52_2_19i_3i_4i:F-Li-V,52.0,"Invalid WP multiplicities - A19B3C4_aP52_2_37i_5i_7i:F-Li-V, expected Li5V7F37 to be Li3V4F19" +mp-759816,LiVF4,-6.2548906183,-3.1484331506,0.0723579717,0.0686285008,GGA+U,P1,A4BC_aP36_1_24a_6a_6a:F-Li-V,36.0,A4BC_aP36_1_24a_6a_6a:F-Li-V +mp-759977,LiVF4,-6.2404205067,-3.1339630389,0.0868280833,0.0830986125,GGA+U,P1,A4BC_aP48_1_32a_8a_8a:F-Li-V,48.0,A4BC_aP48_1_32a_8a_8a:F-Li-V +mp-775888,LiVF4,-6.2300172519,-3.1235597842,0.0972313381,0.0935018672,GGA+U,P-1,A4BC_aP36_2_12i_3i_3i:F-Li-V,36.0,"Invalid WP multiplicities - A4BC_aP36_2_23i_5i_5i:F-Li-V, expected Li5V5F23 to be LiVF4" +mp-778044,LiVF4,-6.2737031058,-3.1672456381,0.0535454842,0.0498160133,GGA+U,P-1,A4BC_aP12_2_4i_i_i:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:F-Li-V, expected LiVF7 to be LiVF4" +mp-752465,LiVF4,-6.3069258392,-3.2004683714,0.0203227508,0.01659328,GGA+U,P-1,A4BC_aP12_2_4i_i_ae:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_ae:F-Li-V, expected LiVF7 to be LiVF4" +mp-759459,LiVF4,-6.3031457267,-3.1966882589,0.0241028633,0.0203733925,GGA+U,P2_1,A4BC_mP12_4_4a_a_a:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mP12_4_8a_a_a:F-Li-V, expected LiVF8 to be LiVF4" +mp-753338,LiVF4,-6.257384,-3.1509265322,0.06986459,0.0661351192,GGA+U,P2/m,A4BC_mP6_10_mn_b_c:F-Li-V,6.0,"Invalid WP multiplicities - A4BC_mP6_10_2mn_b_c:F-Li-V, expected LiVF6 to be LiVF4" +mp-755186,LiVF4,-6.2446860913,-3.1382286235,0.0825624987,0.0788330279,GGA+U,C2/m,A4BC_mC48_12_2i3j_gi_hi:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mC48_12_4i5j_g2i_h2i:F-Li-V, expected Li3V3F14 to be LiVF4" +mp-756206,LiVF4,-6.2594296679,-3.1529722001,0.0678189221,0.0640894513,GGA+U,C2/m,A4BC_mC48_12_ac7i_2i_2i:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mC48_12_ac13i_3i_3i:F-Li-V, expected Li3V3F14 to be LiVF4" +mp-754766,LiVF4,-6.2550107167,-3.1485532489,0.0722378733,0.0685084025,GGA+U,C2/m,A4BC_mC12_12_2i_a_d:F-Li-V,6.0,"Invalid WP multiplicities - A4BC_mC12_12_4i_a_c:F-Li-V, expected LiVF8 to be LiVF4" +mp-754755,LiVF4,-6.2917938692,-3.1853364014,0.0354547208,0.03172525,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Li-V, expected LiVF7 to be LiVF4" +mp-755547,LiVF4,-6.2519694467,-3.1455119789,0.0752791433,0.0715496725,GGA+U,C2/m,A4BC_mC24_12_4i_i_i:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_12_7i_i_i:F-Li-V, expected LiVF7 to be LiVF4" +mp-2710672,LiVF4,-6.2852497117,-3.1787922439,0.0419988783,0.0382694075,GGA+U,C2/m,A4BC_mC24_12_2ij_g_i:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_12_3i2j_g_i:F-Li-V, expected LiVF7 to be LiVF4" +mp-754337,LiVF4,-6.3112758108,-3.2048183431,0.0159727792,0.0122433083,GGA+U,P2/c,A4BC_mP12_13_2g_e_f:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mP12_13_3g_e_f:F-Li-V, expected LiVF6 to be LiVF4" +mp-756049,LiVF4,-6.2841828288,-3.177725361,0.0430657612,0.0393362904,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:F-Li-V, expected LiVF11 to be LiVF4" +mp-765497,LiVF4,-6.3155785904,-3.2091211226,0.0116699996,0.0079405288,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_11e_e_e:F-Li-V, expected LiVF11 to be LiVF4" +mp-757195,LiVF4,-6.2654785867000005,-3.1590211189,0.0617700033,0.0580405325,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_7e_e_e:F-Li-V, expected LiVF7 to be LiVF4" +mp-767617,LiVF4,-6.2509784183,-3.1445209506,0.0762701717,0.0725407008,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_15e_e_e:F-Li-V, expected LiVF15 to be LiVF4" +mp-754895,LiVF4,-6.3215861392,-3.2151286714,0.0056624508,0.00193298,GGA+U,P2_1/c,A4BC_mP12_14_2e_a_d:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mP12_14_3e_a_b:F-Li-V, expected LiVF6 to be LiVF4" +mp-767625,LiVF4,-6.271964015,-3.1655065472,0.055284575,0.0515551042,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_mP24_14_13e_e_e:F-Li-V, expected LiVF13 to be LiVF4" +mp-756012,LiVF4,-6.251926035,-3.1454685672,0.075322555,0.0715930842,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_a_e:F-Li-V, expected LiVF14 to be LiVF4" +mp-755801,LiVF4,-6.32724859,-3.2207911222,0.0,-0.0037294708,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_15_5f_e_a:F-Li-V, expected LiVF10 to be LiVF4" +mp-1176530,LiVF4,-6.2513253217,-3.1448678539,0.0759232683,0.0721937975,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC12_12_7i_a_c:F-Li-V, expected LiVF14 to be LiVF4" +mp-849734,LiVF4,-6.2346153108,-3.1281578431,0.0926332792,0.0889038083,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_15_3f_e_a:F-Li-V, expected LiVF6 to be LiVF4" +mp-1176538,LiVF4,-6.3035164983,-3.1970590306,0.0237320917,0.0200026208,GGA+U,C2/c,A4BC_mC24_15_2f_e_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_mC24_15_7f_e_a:F-Li-V, expected LiVF14 to be LiVF4" +mp-756016,LiVF4,-6.2623523054,-3.1558948376,0.0648962846,0.0611668138,GGA+U,P2_12_12_1,A4BC_oP24_19_4a_a_a:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_oP24_19_13a_a_a:F-Li-V, expected LiVF13 to be LiVF4" +mp-760807,LiVF4,-6.2501130596,-3.1436555918,0.0771355304,0.0734060596,GGA+U,Pmn2_1,A4BC_oP48_31_4a6b_4a_2b:F-Li-V,48.0,"Invalid WP multiplicities - A4BC_oP48_31_8a22b_7a_5b:F-Li-V, expected Li7V10F52 to be LiVF4" +mp-778314,LiVF4,-6.2464679788,-3.140010511,0.0807806112,0.0770511404,GGA+U,Pmmn,A4BC_oP48_59_ef3g_ce_ef:F-Li-V,48.0,"Invalid WP multiplicities - A4BC_oP48_59_4e2f15g_2c3e_2e2f:F-Li-V, expected Li5V4F36 to be LiVF4" +mp-755629,LiVF4,-6.3187151108,-3.2122576431,0.0085334792,0.0048040083,GGA+U,Pmmn,A4BC_oP12_59_ef_a_b:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_oP12_59_2ef_a_b:F-Li-V, expected LiVF6 to be LiVF4" +mp-755904,LiVF4,-6.2803403171,-3.1738828493,0.0469082729,0.0431788021,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Li-V, expected LiVF10 to be LiVF4" +mp-777566,LiVF4,-6.2946609683,-3.1882035006,0.0325876217,0.0288581508,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_c:F-Li-V, expected LiVF10 to be LiVF4" +mp-753969,LiVF4,-6.3146057367,-3.2081482689,0.0126428533,0.0089133825,GGA+U,Pbcn,A4BC_oP24_60_2d_c_a:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_oP24_60_5d_c_a:F-Li-V, expected LiVF10 to be LiVF4" +mp-760794,LiVF4,-6.2503113573,-3.1438538895,0.0769372327,0.0732077619,GGA+U,Pnma,A4BC_oP48_62_2c3d_2c_d:F-Li-V,48.0,"Invalid WP multiplicities - A4BC_oP48_62_8c9d_5c_d:F-Li-V, expected Li5V2F26 to be LiVF4" +mp-767699,LiVF4,-6.2800586504,-3.1736011826,0.0471899396,0.0434604688,GGA+U,Pnma,A4BC_oP24_62_2cd_c_a:F-Li-V,24.0,"Invalid WP multiplicities - A4BC_oP24_62_4c3d_c_a:F-Li-V, expected LiVF10 to be LiVF4" +mp-1176534,LiVF4,-6.2530277085,-3.1465702408,0.0742208815,0.0704914106,GGA+U,Pnma,A4BC_oP48_62_2c3d_2c_d:F-Li-V,48.0,"Invalid WP multiplicities - A4BC_oP48_62_8c9d_5c_d:F-Li-V, expected Li5V2F26 to be LiVF4" +mp-755415,LiVF4,-6.2489619933,-3.1425045256,0.0782865967,0.0745571258,GGA+U,Cmcm,A4BC_oC24_63_fg_c_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_c:F-Li-V, expected LiVF6 to be LiVF4" +mp-754721,LiVF4,-6.2682115217,-3.1617540539,0.0590370683,0.0553075975,GGA+U,Cmcm,A4BC_oC24_63_fg_c_a:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_a:F-Li-V, expected LiVF6 to be LiVF4" +mp-2466847,LiVF4,-6.2603469175,-3.1538894497,0.0669016725,0.0631722017,GGA+U,Cmcm,A4BC_oC24_63_fg_c_c:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_oC24_63_f2g_c_c:F-Li-V, expected LiVF6 to be LiVF4" +mp-753675,LiVF4,-6.319256485,-3.2127990172,0.007992105,0.0042626342,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:F-Li-V,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2g2j_a_c:F-Li-V, expected LiVF8 to be LiVF4" +mp-753568,LiVF4,-6.2379359967,-3.1314785289,0.0893125933,0.0855831225,GGA+U,Imma,A4BC_oI24_74_2ef_c_a:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_oI24_74_3e2f_c_a:F-Li-V, expected LiVF7 to be LiVF4" +mp-758091,LiVF4,-6.2479690133,-3.1415115456,0.0792795767,0.0755501058,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:F-Li-V,12.0,A4BC_tI24_88_f_a_b:F-Li-V +mp-755244,LiVF4,-6.3123316817,-3.2058742139,0.0149169083,0.0111874375,GGA+U,I4_1md,A4BC_tI24_109_2b_a_a:F-Li-V,12.0,"Invalid WP multiplicities - A4BC_tI24_109_4b_a_a:F-Li-V, expected LiVF8 to be LiVF4" +mp-753373,LiVF4,-6.2444757017,-3.1380182339,0.0827728883,0.0790434175,GGA+U,I-4m2,A4BC_tI12_119_ef_a_c:F-Li-V,6.0,A4BC_tI12_119_ef_a_c:F-Li-V +mp-760329,Li3V2F12,-5.7934929847,-3.0386501406,0.0283050494,0.0283050494,GGA+U,Pc,A12B3C2_mP34_7_12a_3a_2a:F-Li-V,34.0,A12B3C2_mP34_7_24a_6a_4a:F-Li-V +mp-765467,Li3V2F12,-5.7180420079,-2.9631991638,0.1037560262,0.1037560262,GGA+U,P2_1/c,A12B3C2_mP34_14_6e_ae_e:F-Li-V,34.0,"Invalid WP multiplicities - A12B3C2_mP34_14_23e_ae_e:F-Li-V, expected Li3V2F46 to be Li3V2F12" +mp-760783,Li3V2F12,-5.7998419454,-3.0449991013,0.0219560887,0.0219560887,GGA+U,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:F-Li-V,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_11e_3e:F-Li-V, expected Li11V3F45 to be Li3V2F12" +mp-753952,Li2V2F7,-6.3074493014,-3.0923574245,0.0658598473,0.0658598473,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-V, expected Li3V3F13 to be Li2V2F7" +mp-766139,Li2V2F7,-6.3219010259,-3.106809149,0.0514081227,0.0514081227,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-V, expected Li3V3F13 to be Li2V2F7" +mp-759454,Li2V2F7,-6.268049275,-3.0529573981,0.1052598736,0.1052598736,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-V, expected Li3V3F13 to be Li2V2F7" +mp-753073,Li2V2F7,-6.2715042286,-3.0564123517,0.10180492,0.10180492,GGA+U,C2/c,A7B2C2_mC44_15_e3f_f_f:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_mC44_15_2e11f_f_f:F-Li-V, expected LiVF12 to be Li2V2F7" +mp-1373303,Li2V2F7,-3.2483658532,-0.0332739763,3.1249432955,3.1249432955,GGA+U,P-1,A7B2C2_aP22_2_7i_2i_2i:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:F-Li-V, expected Li3V3F13 to be Li2V2F7" +mp-760266,Li2V2F7,-6.3133248814,-3.0982330045,0.0599842673,0.0599842673,GGA+U,P2_1,A7B2C2_mP44_4_14a_4a_4a:F-Li-V,44.0,"Invalid WP multiplicities - A7B2C2_mP44_4_27a_7a_7a:F-Li-V, expected Li7V7F27 to be Li2V2F7" +mp-760262,Li2V2F7,-6.3277733195,-3.1126814427,0.0455358291,0.0455358291,GGA+U,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:F-Li-V,44.0,"Invalid WP multiplicities - A7B2C2_mP44_14_25e_5e_5e:F-Li-V, expected LiVF5 to be Li2V2F7" +mp-849541,Li2V2F7,-6.281946852,-3.0668549752,0.0913622966,0.0913622966,GGA+U,Pna2_1,A7B2C2_oP44_33_7a_2a_2a:F-Li-V,44.0,"Invalid WP multiplicities - A7B2C2_oP44_33_25a_5a_5a:F-Li-V, expected LiVF5 to be Li2V2F7" +mp-753335,Li2V2F7,-6.2604645423,-3.0453726654,0.1128446064,0.1128446064,GGA+U,Imma,A7B2C2_oI44_74_ehj_ac_bd:F-Li-V,22.0,"Invalid WP multiplicities - A7B2C2_oI44_74_2e3h2j_a2c_b2d:F-Li-V, expected Li3V3F16 to be Li2V2F7" +mp-759421,Li3VF7,-5.6639130191,-3.1010923425,0.0527066864,0.0527066864,GGA+U,R3m,A7B3C_hR33_160_a2b_b_a:F-Li-V,11.0,"Invalid WP multiplicities - A7B3C_hR33_160_a4b_b_a:F-Li-V, expected Li3VF13 to be Li3VF7" +mp-757151,Li2VF7,-5.533620861,-2.9054104034,0.105612327,0.105612327,GGA+U,Imm2,A7B2C_oI20_44_2abe_c_a:F-Li-V,10.0,"Invalid WP multiplicities - A7B2C_oI20_44_2ab2e_c_a:F-Li-V, expected Li2VF11 to be Li2VF7" +mp-759125,Li2VF7,-5.5757367822,-2.9475263247,0.0634964058,0.0634964058,GGA+U,Pnma,A7B2C_oP40_62_3c2d_2c_c:F-Li-V,40.0,"Invalid WP multiplicities - A7B2C_oP40_62_11c6d_5c_c:F-Li-V, expected Li5VF23 to be Li2VF7" +mp-765496,LiV3F10,-6.5830392211,-3.1347941674,0.0867184132,0.0867184132,GGA+U,Pc,A10BC3_mP28_7_10a_a_3a:F-Li-V,28.0,"Invalid WP multiplicities - A10BC3_mP28_7_18a_a_6a:F-Li-V, expected LiV6F18 to be LiV3F10" +mp-752482,LiV3F10,-6.5777328196,-3.129487766,0.0920248146,0.0920248146,GGA+U,Pmma,A10BC3_oP28_51_aejkl_f_cg:F-Li-V,28.0,"Invalid WP multiplicities - A10BC3_oP28_51_2aej2k2l_f_cg:F-Li-V, expected LiV3F17 to be LiV3F10" +mp-777448,Li2VF4,-5.9937655629,-3.0583844667,0.0364207829,0.0364207829,GGA+U,P2/c,A4B2C_mP14_13_2g_g_e:F-Li-V,14.0,"Invalid WP multiplicities - A4B2C_mP14_13_4g_g_e:F-Li-V, expected Li2VF8 to be Li2VF4" +mp-758181,Li2VF4,-5.9606498821,-3.025268786,0.0695364636,0.0695364636,GGA+U,P2_1/c,A4B2C_mP28_14_4e_2e_e:F-Li-V,28.0,"Invalid WP multiplicities - A4B2C_mP28_14_15e_7e_e:F-Li-V, expected Li7VF15 to be Li2VF4" +mp-850331,Li2VF4,-5.9699874514,-3.0346063552,0.0601988943,0.0601988943,GGA+U,P2_1/c,A4B2C_mP28_14_4e_2e_e:F-Li-V,28.0,"Invalid WP multiplicities - A4B2C_mP28_14_15e_3e_e:F-Li-V, expected Li3VF15 to be Li2VF4" +mp-1177792,Li2VF4,-5.9934132013,-3.0580321051,0.0367731445,0.0367731445,GGA+U,P2_1/c,A4B2C_mP56_14_8e_4e_2e:F-Li-V,56.0,"Invalid WP multiplicities - A4B2C_mP56_14_29e_15e_3e:F-Li-V, expected Li15V3F29 to be Li2VF4" +mp-775839,Li2VF4,-5.9668182386,-3.0314371424,0.0633681071,0.0633681071,GGA+U,Pna2_1,A4B2C_oP28_33_4a_2a_a:F-Li-V,28.0,"Invalid WP multiplicities - A4B2C_oP28_33_13a_5a_a:F-Li-V, expected Li5VF13 to be Li2VF4" +mp-760827,Li2VF4,-5.9516879873,-3.0163068911,0.0784983584,0.0784983584,GGA+U,Pna2_1,A4B2C_oP56_33_8a_4a_2a:F-Li-V,56.0,"Invalid WP multiplicities - A4B2C_oP56_33_29a_13a_5a:F-Li-V, expected Li13V5F29 to be Li2VF4" +mp-752499,Li2VF4,-5.9969739357,-3.0615928395,0.03321241,0.03321241,GGA+U,Pbam,A4B2C_oP14_55_gh_g_b:F-Li-V,14.0,"Invalid WP multiplicities - A4B2C_oP14_55_2gh_h_a:F-Li-V, expected Li2VF6 to be Li2VF4" +mp-759858,Li2VF4,-5.9382249814,-3.0028438852,0.0919613643,0.0919613643,GGA+U,Cmmm,A4B2C_oC14_65_gj_f_a:F-Li-V,7.0,"Invalid WP multiplicities - A4B2C_oC14_65_2gj_f_a:F-Li-V, expected Li2VF6 to be Li2VF4" +mp-753053,Li2VF4,-6.0076428357,-3.0722617395,0.02254351,0.02254351,GGA+U,Imma,A4B2C_oI28_74_hi_ae_c:F-Li-V,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2h3i_2c2e_a:F-Li-V, expected Li4VF10 to be Li2VF4" +mp-775776,Li2VF4,-6.0132410814,-3.0778599852,0.0169452643,0.0169452643,GGA+U,P4_122,A4B2C_tP28_91_2d_ac_b:F-Li-V,28.0,"Invalid WP multiplicities - A4B2C_tP28_91_3d_a2c_b:F-Li-V, expected Li3VF6 to be Li2VF4" +mp-760339,Li2VF4,-5.9682659086,-3.0328848124,0.0619204371,0.0619204371,GGA+U,I4/mmm,A4B2C_tI14_139_ce_d_a:F-Li-V,7.0,A4B2C_tI14_139_ce_d_a:F-Li-V +mp-759217,Li2VF4,-5.9809531557,-3.0455720595,0.04923319,0.04923319,GGA+U,R-3,A4B2C_hR126_148_4f_2f_f:F-Li-V,42.0,"Invalid WP multiplicities - A4B2C_hR126_148_15f_7f_f:F-Li-V, expected Li7VF15 to be Li2VF4" +mp-776767,Li2VF4,-5.9649594976,-3.0295784014,0.0652268481,0.0652268481,GGA+U,R-3,A4B2C_hR126_148_4f_2f_f:F-Li-V,42.0,"Invalid WP multiplicities - A4B2C_hR126_148_19f_7f_f:F-Li-V, expected Li7VF19 to be Li2VF4" +mp-1215592,Zr2CN,-10.0463063725,-1.3811659531,0.0,-0.0171373819,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-Zr,4.0,ABC2_hR12_166_a_b_c:C-N-Zr +mp-1215247,ZrTaN2,-10.7377013725,-1.468084345,0.1382808692,0.1382808692,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Ta-Zr,4.0,A2BC_hR12_166_c_a_b:N-Ta-Zr +mp-1077140,Zr2TaN3,-10.0520980617,-1.0583207842,0.6326387644,0.6326387644,GGA,P6/mmm,A3BC2_hP6_191_f_a_d:N-Ta-Zr,6.0,A3BC2_hP6_191_f_a_d:N-Ta-Zr +mp-1215225,ZrTaCN,-10.6368025975,-1.1441429281,0.073595955,0.073595955,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Ta-Zr,4.0,ABCD_hR12_160_a_a_a_a:C-N-Ta-Zr +mp-1071766,ZrTa2N3,-10.7342008367,-1.1887440592,0.3330268206,0.3330268206,GGA,P6/mmm,A3B2C_hP6_191_f_d_a:N-Ta-Zr,6.0,A3B2C_hP6_191_f_d_a:N-Ta-Zr +mp-1215389,Zr4C3N,-9.8783879775,-1.1017262372,0.0,-0.0091245012,GGA,R-3m,A3BC4_hR24_166_ac_b_2c:C-N-Zr,8.0,"Invalid WP multiplicities - A3BC4_hR24_166_a2c_b_2c:C-N-Zr, expected Zr4C5N to be Zr4C3N" +mp-1215387,Zr4CN3,-10.1799500037,-1.6263309053,0.0,-0.00567382,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:C-N-Zr,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_2c:C-N-Zr, expected Zr4CN5 to be Zr4CN3" +mp-1215219,ZrTaC2,-10.4537859525,-0.7380836413,0.0,-0.0484001075,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ta-Zr,4.0,A2BC_hR12_166_c_a_b:C-Ta-Zr +mp-1047052,Nb2Zn2WO8,-8.07891272,-2.2901637031,0.1352251358,0.1352251358,GGA+U,P-1,A2B8CD2_aP26_2_2i_8i_i_2i:Nb-O-W-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_aP26_2_4i_16i_i_4i:Nb-O-W-Zn, expected Nb4Zn4WO16 to be Nb2Zn2WO8" +mp-1261949,Al2V2O7,-7.96861128,-2.4880853910000003,0.4231250895,0.4231250895,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Al-O-V,22.0,A2B7C2_cF88_227_c_af_d:Al-O-V +mp-802021,AlVO3,-6.431849764,-0.8979401573,2.0833725696,2.0833725696,GGA+U,P1,AB3C_aP40_1_8a_24a_8a:Al-O-V,40.0,AB3C_aP40_1_8a_24a_8a:Al-O-V +mp-765647,AlVO3,-8.4264897375,-2.8925801308,0.0887325961,0.0887325961,GGA+U,Cm,AB3C_mC80_8_8a_12a6b_2a3b:Al-O-V,40.0,AB3C_mC80_8_8a_12a6b_2a3b:Al-O-V +mp-1248251,AlVO3,-8.3636048475,-2.8296952408,0.1516174861,0.1516174861,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Al-O-V,20.0,AB3C_oP20_62_c_cd_a:Al-O-V +mp-756082,AlVO3,-8.4287792535,-2.8948696468,0.0864430801,0.0864430801,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Al-O-V,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Al-O-V, expected AlVO7 to be AlVO3" +mp-1178549,AlVO3,-8.495406463,-2.9614968563,0.0198158706,0.0198158706,GGA+U,R-3,AB3C_hR30_148_c_f_c:Al-O-V,20.0,AB3C_hR30_148_c_f_c:Al-O-V +mp-1384488,AlVO3,-8.18761932,-2.6537097133,0.3276030136,0.3276030136,GGA+U,P6_3/mmc,AB3C_hP10_194_a_bf_c:Al-O-V,10.0,AB3C_hP10_194_a_bf_c:Al-O-V +mp-1395974,AlVO3,-7.286648706,-1.7527390993,1.2285736276,1.2285736276,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Al-O-V,5.0,AB3C_cP5_221_a_c_b:Al-O-V +mp-1183128,AlVO3,-7.805885834,-2.2719762273,0.7093364996,0.7093364996,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-V,5.0,AB3C_cP5_221_b_c_a:Al-O-V +mp-1106178,Al2VO7,-7.391425774,-2.2712379031,0.2982345155,0.2982345155,GGA+U,C2/m,A2B7C_mC40_12_gi_3i2j_i:Al-O-V,20.0,A2B7C_mC40_12_gi_3i2j_i:Al-O-V +mp-19456,AlV2O4,-8.6696792207,-2.7125159614000003,0.0531973843,0.0206386219,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Al-O-V,14.0,"Invalid WP multiplicities - AB4C2_hR42_166_c_2c2h_a2d:Al-O-V, expected Al2V7O16 to be AlV2O4" +mp-1252214,AlV2O4,-8.2303189271,-2.2731556679,0.4925576779,0.4599989155,GGA+U,P-1,AB4C2_aP14_2_i_4i_abcf:Al-O-V,14.0,"Invalid WP multiplicities - AB4C2_aP14_2_i_7i_abcf:Al-O-V, expected AlV2O7 to be AlV2O4" +mp-1274278,AlV2O4,-8.7141529321,-2.7569896729,0.0087236729,-0.0238350895,GGA+U,C2,AB4C2_mC56_5_2c_8c_ab3c:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mC56_5_4c_16c_ab3c:Al-O-V, expected AlVO4 to be AlV2O4" +mp-1272257,AlV2O4,-8.6925513382,-2.7353880789,0.0303252668,-0.0022334956,GGA+U,C2/m,AB4C2_mC56_12_2i_4i2j_adefi:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_aP28_2_4i_16i_ab2c2hi:Al-O-V, expected AlVO4 to be AlV2O4" +mp-1276673,AlV2O4,-8.6884350821,-2.7312718229,0.0344415229,0.0018827605,GGA+U,C2/m,AB4C2_mC56_12_2i_4i2j_adij:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mC56_12_3i_7i6j_acij:Al-O-V, expected Al3V4O19 to be AlV2O4" +mp-1385641,AlV2O4,-8.17801142,-2.2208481607,0.544865185,0.5123064227,GGA+U,C2/c,AB4C2_mC28_15_e_2f_ac:Al-O-V,14.0,AB4C2_tI28_88_a_f_d:Al-O-V +mp-1272295,AlV2O4,-8.68479627,-2.7276330107,0.038080335,0.0055215727,GGA+U,C2/c,AB4C2_mC56_15_f_4f_abce:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mC56_15_f_11f_a2c2de:Al-O-V, expected AlV3O11 to be AlV2O4" +mp-1282714,AlV2O4,-8.7148249954,-2.7576617361,0.0080516096,-0.0245071527,GGA+U,C2/c,AB4C2_mC56_15_f_4f_abce:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mC56_12_4i_8i8j_adefi:Al-O-V, expected AlVO6 to be AlV2O4" +mp-1291152,AlV2O4,-8.6873318525,-2.7301685932,0.0355447525,0.0029859902,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_ac:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mP28_14_e_13e_2a2b2e:Al-O-V, expected AlV4O13 to be AlV2O4" +mp-1280023,AlV2O4,-8.6866511157,-2.7294878564,0.0362254893,0.0036667269,GGA+U,Pnma,AB4C2_oP28_62_c_2cd_ac:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mP28_14_e_13e_2a2b2e:Al-O-V, expected AlV4O13 to be AlV2O4" +mp-1045494,AlV2O4,-8.606648155,-2.6494848957,0.11622845,0.0836696877,GGA+U,Imma,AB4C2_oI28_74_a_hi_ce:Al-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h3i_ce:Al-O-V, expected AlV2O12 to be AlV2O4" +mp-1045538,AlV2O4,-8.5155716079,-2.5584083486,0.2073049971,0.1747462348,GGA+U,Imma,AB4C2_oI28_74_a_hi_bc:Al-O-V,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_4h3i_2b2c:Al-O-V, expected AlV4O14 to be AlV2O4" +mp-1281387,AlV2O4,-8.722876605,-2.7657133457,0.0,-0.0325587623,GGA+U,Imma,AB4C2_oI28_74_e_hi_ac:Al-O-V,14.0,AB4C2_tI28_141_a_h_d:Al-O-V +mp-1277185,AlV2O4,-8.7008363471,-2.7436730879,0.0220402579,-0.0105185045,GGA+U,R3m,AB4C2_hR84_160_4a_4a4b_2a2b:Al-O-V,28.0,"Invalid WP multiplicities - AB4C2_mC56_8_4a_8a8b_4a2b:Al-O-V, expected AlV2O6 to be AlV2O4" +mp-1040497,AlV2O4,-8.5985258643,-2.6413626050000003,0.1243507407,0.0917919784,GGA+U,R-3m,AB4C2_hR84_166_2c_2c2h_abh:Al-O-V,28.0,AB4C2_hR84_166_2c_2c2h_abh:Al-O-V +mp-555263,AlV2O4,-8.6502847429,-2.6931214836,0.0725918621,0.0400330998,GGA+U,R-3m,AB4C2_hR42_166_c_ch_ad:Al-O-V,14.0,"Invalid WP multiplicities - AB4C2_hR42_166_c_2c2h_a2d:Al-O-V, expected Al2V7O16 to be AlV2O4" +mp-18827,AlVO4,-8.2337089028,-2.7976694453,0.0,-0.0145180694,GGA+U,P-1,AB4C_aP36_2_3i_12i_3i:Al-O-V,36.0,AB4C_aP36_2_3i_12i_3i:Al-O-V +mp-1194859,AlV(TeO4)2,-7.0289830815,-2.1381828001,0.0084273451,0.0084273451,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Al-O-Te-V,48.0,AB8C2D_mP48_14_e_8e_2e_e:Al-O-Te-V +mp-1045019,AlV3O6,-8.7445287395,-2.6767861087,0.0815257894,0.0815257894,GGA+U,P-3m1,AB6C3_hP40_164_cd_c2d3i_adfi:Al-O-V,40.0,"Invalid WP multiplicities - AB6C3_hP40_164_2c2d_2c4d18i_ad3f5i:Al-O-V, expected Al4V21O60 to be AlV3O6" +mp-18897,NaVTeO5,-6.8364115025,-2.0510139009,0.0,-0.0024634892,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Na-O-Te-V,32.0,AB5CD_mP32_14_e_5e_e_e:Na-O-Te-V +mp-1112201,K2LiCeF6,-5.652606259,-3.4994378869,0.070633016,0.070633016,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-F-K-Li +mp-1113031,Cs2KTaI6,-3.5979416950000003,-1.2380237529,0.1260914601,0.1260914601,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Ta +mp-581834,CsNa5(WN3)2,-6.5639523523,-0.6037195774,0.0,-0.0050378311,GGA,P2_1/c,AB6C5D2_mP112_14_2e_12e_10e_4e:Cs-N-Na-W,112.0,"Invalid WP multiplicities - AB6C5D2_mP112_14_6e_45e_39e_10e:Cs-N-Na-W, expected Cs6Na39(W2N9)5 to be CsNa5(WN3)2" +mp-1247511,Na3WN2,-5.6358727596,-0.0360900995,0.440434434,0.440434434,GGA,I4_1/amd,A2B3C_tI48_141_h_eg_e:N-Na-W,24.0,A2B3C_tI48_141_h_eg_e:N-Na-W +mp-1246826,Cs6WN4,-4.8025825964,-0.1047167634,0.282422411,0.282422411,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Cs-N-W,22.0,A6B4C_tP22_137_df_g_a:Cs-N-W +mp-1087549,Cs15W7N19,-6.9915642251,-0.5883605479,0.0163273099,0.0163273099,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:Cs-N-W,82.0,A15B19C7_aP82_2_bd14i_19i_7i:Cs-N-W +mp-1203906,Cs5Na(W2N5)2,-7.721678668,-0.6718283018,0.0,-0.0104266457,GGA,I4_1,A5B10CD4_tI80_80_a2b_5b_a_2b:Cs-N-Na-W,40.0,A5B10CD4_tI80_80_a2b_5b_a_2b:Cs-N-Na-W +mp-1029565,Na3W2N5,-7.785894464,-0.6292633675,0.0,-0.0131999621,GGA,I4_1,A5B3C2_tI80_80_5b_2a2b_2b:N-Na-W,40.0,A5B3C2_tI80_80_5b_2a2b_2b:N-Na-W +mp-1030704,Na15W7N19,-7.184372528,-0.6249043674,0.0,-0.004137788,GGA,P-1,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-W,82.0,A19B15C7_aP82_2_19i_bd14i_7i:N-Na-W +mp-1228320,Cs19(W2N5)6,-7.6011868538,-0.673235123,0.0,-0.0409602108,GGA,R-3,A19B30C12_hR183_148_a3f_5f_2f:Cs-N-W,61.0,"Invalid WP multiplicities - A19B30C12_hR183_148_a5f_9f_4f:Cs-N-W, expected Cs31(W4N9)6 to be Cs19(W2N5)6" +mp-1119092,Cs3W2N5,-7.6713070475,-0.6428128274,0.0250164865,0.0250164865,GGA,I4_1,A3B5C2_tI80_80_2a2b_5b_2b:Cs-N-W,40.0,A3B5C2_tI80_80_2a2b_5b_2b:Cs-N-W +mp-16839,Na3WN3,-6.6034159554,-0.6126744003,0.0,-0.0612015223,GGA,Cc,A3B3C_mC56_9_6a_6a_2a:N-Na-W,28.0,A3B3C_mC56_9_6a_6a_2a:N-Na-W +mp-1029656,Na6WN4,-5.3454652559,-0.414623284,0.0203005105,0.0203005105,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-W,22.0,A4B6C_tP22_137_g_df_a:N-Na-W +mp-989639,Cs2KInF6,-4.727900217,-3.0157240944,0.0,-0.0404049615,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-K,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-K +mp-1112317,CsK2InF6,-4.612517823,-2.8788420429,0.1280130968,0.1280130968,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-In-K +mp-7889,Sr2YReO6,-8.192016464,-2.9950047167,0.0839403313,0.0839403313,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Y,10.0,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Y +mp-1212270,Li3Lu(NO3)6,-6.7541659908,-1.4217700811,0.0,-0.0784728433,GGA,P2_1/c,A3BC6D18_mP112_14_3e_e_6e_18e:Li-Lu-N-O,112.0,A3BC6D18_mP112_14_3e_e_6e_18e:Li-Lu-N-O +mp-1211206,LuN7O15,-6.4848361984,-0.5249776913,0.5283463904,0.5283463904,GGA,P3_121,AB7C15_hP69_152_a_2ab2c_a7c:Lu-N-O,69.0,"Invalid WP multiplicities - AB7C15_hP69_152_a_2ab4c_a14c:Lu-N-O, expected LuN11O29 to be LuN7O15" +mp-1204124,LuN3O13,-6.040843949,-0.5209975642,0.4844090522,0.4844090522,GGA,P2_1/c,AB3C13_mP68_14_e_3e_13e:Lu-N-O,68.0,AB3C13_mP68_14_e_3e_13e:Lu-N-O +mp-560861,Cs2KMnF6,-5.34270701,-2.9894977312,0.0,-0.017365576,GGA+U,I4/mmm,A2B6CD_tI20_139_d_eh_a_b:Cs-F-K-Mn,10.0,A2B6CD_tI20_139_d_eh_a_b:Cs-F-K-Mn +mp-561461,Cs2KMnF6,-5.297733905,-2.9445246262,0.044973105,0.027607529,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Mn,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Mn +mp-572298,Cs2KMn3F12,-5.9253262236,-2.9628263804,0.0,-0.0133031442,GGA+U,C2/c,A2B12CD3_mC72_15_f_6f_e_abc:Cs-F-K-Mn,36.0,"Invalid WP multiplicities - A2B12CD3_mC72_15_f_21f_e_acd:Cs-F-K-Mn, expected Cs2KMn3F42 to be Cs2KMn3F12" +mp-8276,Sr(ZnP)2,-3.698108734,-0.6909915967,0.0,-0.1714173758,GGA,P-3m1,A2BC2_hP5_164_d_a_d:P-Sr-Zn,5.0,A2BC2_hP5_164_d_a_d:P-Sr-Zn +mp-1208497,Sr2ZnP2F,-3.32420022,-0.4280644704,1.2670004372,1.2670004372,GGA,P4/mmm,AB2C2D_tP6_123_a_g_g_b:F-P-Sr-Zn,6.0,AB2C2D_tP6_123_a_g_g_b:F-P-Sr-Zn +mp-1218384,Sr2ZnP2,-3.886497876,-0.7934307700000001,0.0727414504,0.0727414504,GGA,P-6m2,A2B2C_hP5_187_bc_i_a:P-Sr-Zn,5.0,A2B2C_hP5_187_bc_i_a:P-Sr-Zn +mp-1194001,Pr4PClO8,-8.2649994954,-3.5536443613,0.0,-0.0009250019,GGA,Pmn2_1,AB8CD4_oP28_31_a_2a3b_a_2b:Cl-O-P-Pr,28.0,AB8CD4_oP28_31_a_2a3b_a_2b:Cl-O-P-Pr +mp-1095728,LiPPd2,-2.952732595,1.4677646533,2.0194428092,2.0194428092,GGA,Immm,ABC2_oI8_71_a_b_e:Li-P-Pd,4.0,ABC2_oI8_71_a_b_e:Li-P-Pd +mp-616572,Li2P2PdO7,-6.9147417458,-2.3771456179,0.0078688686,0.0078688686,GGA,Imma,A2B7C2D_oI48_74_f_eij_i_a:Li-O-P-Pd,24.0,"Invalid WP multiplicities - A2B7C2D_oI48_74_f_e4i5j_i_a:Li-O-P-Pd, expected Li2P2PdO29 to be Li2P2PdO7" +mp-1222175,MgU2(AsO8)2,-7.1048282133,-1.7406207724,0.494387531,0.494387531,GGA,C2/m,A2BC16D2_mC42_12_i_a_4i2j_i:As-Mg-O-U,21.0,A2BC16D2_mC42_12_i_a_4i2j_i:As-Mg-O-U +mp-1213105,Eu3W(ClO2)3,-8.765280003099999,-2.6918278587,0.0,-0.0108740122,GGA+U,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-Eu-O-W,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-Eu-O-W +mp-978278,Na(BH)6,-5.1597959581,-0.409393482,0.0,-0.1066340681,GGA,P2_1/c,A6B6C_mP52_14_6e_6e_e:B-H-Na,52.0,A6B6C_mP52_14_6e_6e_e:B-H-Na +mp-776332,Na(BH)5,-5.0250308562,-0.3265659133,0.0766246372,0.0766246372,GGA,P2_1/c,A5B5C_mP88_14_10e_10e_2e:B-H-Na,88.0,"Invalid WP multiplicities - A5B5C_mP88_14_37e_37e_7e:B-H-Na, expected Na7(BH)37 to be Na(BH)5" +mp-1103416,NaBH4,-4.0055337367,-0.4100635293,0.030100515,-0.1520871903,GGA,Pm,AB4C_mP12_6_ab_2a2b2c_2a:B-H-Na,12.0,AB4C_mP12_6_ab_2a2b2c_2a:B-H-Na +mp-24810,NaBH4,-4.011028195,-0.4155579876,0.0246060567,-0.1575816486,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Na,24.0,AB4C_oP24_62_c_2cd_c:B-H-Na +mp-1180167,NaBH4,-3.98855492,-0.3930847126,0.0470793317,-0.1351083736,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Na,24.0,AB4C_oP24_62_c_2cd_c:B-H-Na +mp-1190869,NaBH4,-4.03253808,-0.4370678726,0.0030961717,-0.1790915336,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Na,24.0,AB4C_oP24_62_c_2cd_c:B-H-Na +mp-2646982,NaBH4,-4.0280521463,-0.4325819389,0.0075821054,-0.1746055999,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Na,24.0,AB4C_oP24_62_c_2cd_c:B-H-Na +mp-1101862,NaBH4,-4.0342476267,-0.4387774193,0.001386625,-0.1808010803,GGA,P-42_1c,AB4C_tP12_114_a_e_b:B-H-Na,12.0,AB4C_tP12_114_a_e_b:B-H-Na +mp-38725,NaBH4,-4.0356342517,-0.4401640443,0.0,-0.1821877053,GGA,P4_2/nmc,AB4C_tP12_137_a_g_b:B-H-Na,12.0,AB4C_tP12_137_a_g_b:B-H-Na +mp-1190586,NaBH4,-4.0322417833,-0.436771576,0.0033924683,-0.1787952369,GGA,P-43m,AB4C_cP24_215_ac_ei_bd:B-H-Na,24.0,AB4C_cP24_215_ac_ei_bd:B-H-Na +mp-976181,NaBH4,-4.02418889,-0.4287186826,0.0114453617,-0.1707423436,GGA,F-43m,AB4C_cF24_216_a_e_b:B-H-Na,6.0,AB4C_cF24_216_a_e_b:B-H-Na +mp-866649,NaSc(BH4)4,-4.4215077564,-0.3916814745,0.0,-0.0751224744,GGA,Cmcm,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Sc,44.0,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Sc +mp-1190348,NaB3H8,-4.3373117838,-0.2954360366,0.0264072227,0.0264072227,GGA,Pmn2_1,A3B8C_oP24_31_ab_2a3b_a:B-H-Na,24.0,A3B8C_oP24_31_ab_2a3b_a:B-H-Na +mp-1191970,NaB3H8,-4.3351546463,-0.2932788991,0.0285643602,0.0285643602,GGA,Pmmn,A3B8C_oP24_59_ae_efg_b:B-H-Na,24.0,A3B8C_oP24_59_ae_efg_b:B-H-Na +mp-505232,GdNi(BO2)5,-8.8968258965,-2.8544667855,0.0,-0.0108255454,GGA+U,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Gd-Ni-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Gd-Ni-O +mp-1104693,LiCa2HC3,-5.5602769214,-0.2747276144,0.0,-0.1263041502,GGA,P4/mbm,A3B2CD_tP14_127_ch_g_a_b:C-Ca-H-Li,14.0,A3B2CD_tP14_127_ch_g_a_b:C-Ca-H-Li +mp-9607,Li2UO4,-8.1290627961,-3.1439184263,0.0,-0.0441000804,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Li-O-U,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_ac_5cd_c:Li-O-U, expected Li2UO7 to be Li2UO4" +mp-7724,Li2UO4,-7.9441098671,-2.9589654974,0.1849529289,0.1408528486,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Li-O-U,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2ce_a:Li-O-U, expected Li2UO6 to be Li2UO4" +mp-760476,LiU3O8,-9.8372586242,-3.5575367419,0.0062769183,0.0062769183,GGA,Amm2,AB8C3_oC24_38_b_ab2de_ad:Li-O-U,12.0,AB8C3_oC24_38_b_ab2de_ad:Li-O-U +mp-7714,Li4UO5,-7.260546774,-2.8944922707,0.0,-0.0145064119,GGA,I4/m,A4B5C_tI20_87_h_ah_b:Li-O-U,10.0,"Invalid WP multiplicities - A4B5C_tI20_87_h_a2h_b:Li-O-U, expected Li4UO9 to be Li4UO5" +mp-8609,Li6UO6,-6.7705667438,-2.7378683225,0.0,-0.0354845731,GGA,R-3m,A6B6C_hR39_166_f_h_a:Li-O-U,13.0,A6B6C_hR39_166_f_h_a:Li-O-U +mp-551675,Li3UO4,-7.5498004387,-2.9491837569,0.0,-0.0212984131,GGA,I4/mmm,A3B4C_tI16_139_ad_ce_b:Li-O-U,8.0,A3B4C_tI16_139_ad_ce_b:Li-O-U +mp-1181180,LiUO3,-8.749329151,-3.1412493489,0.208022928,0.1848812803,GGA,Amm2,AB3C_oC10_38_a_bd_b:Li-O-U,10.0,"Invalid WP multiplicities - AB3C_oC10_38_a_b2d_b:Li-O-U, expected LiUO5 to be LiUO3" +mp-8007,LiUO3,-8.957352079,-3.3492722769,0.0,-0.0231416477,GGA,R3c,AB3C_hR30_161_a_b_a:Li-O-U,10.0,AB3C_hR30_161_a_b_a:Li-O-U +mp-545712,LiUO3,-8.748317654000001,-3.1402378519,0.209034425,0.1858927773,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Li-O-U,5.0,AB3C_cP5_221_a_c_b:Li-O-U +mp-1185149,Li2U2O5,-8.5623535467,-2.8807858456,0.3293945385,0.3293945385,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Li-O-U,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:Li-O-U, expected Li2U2O9 to be Li2U2O5" +mp-17807,LiUNbO6,-9.1029001722,-3.2160368184,0.0010675456,0.0010675456,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Li-Nb-O-U,36.0,ABC6D_mP36_14_e_e_6e_e:Li-Nb-O-U +mp-20966,Ba2UCoO6,-8.198803993,-3.0070229978,0.0270834864,0.0270834864,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-U +mp-1063920,Ba2UCo,-4.2523655325,1.3070538888,1.4411606431,1.4411606431,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Co-U,4.0,A2BC_cF16_225_c_a_b:Ba-Co-U +mp-19387,CdWO4,-7.6041752317,-1.9928794258,0.0,-0.0765536381,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Cd-O-W,12.0,AB4C_mP12_13_e_2g_f:Cd-O-W +mp-1227264,CaCd(WO4)2,-8.0164260767,-2.3149044275,0.0449903971,0.0449903971,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Ca-Cd-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Ca-Cd-O-W, expected CaCd(WO6)2 to be CaCd(WO4)2" +mp-1222337,LiGdS2,-8.084374975,-2.0198887649,0.0635841175,0.0324425203,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Gd-Li-S,4.0,ABC2_tP4_123_a_d_bc:Gd-Li-S +mp-1222370,LiGdS2,-8.1479590925,-2.0834728824,0.0,-0.0311415972,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Li-S,4.0,ABC2_hR12_166_a_b_c:Gd-Li-S +mp-1211108,LiGd(SO4)2,-7.7105969792,-2.3913091016,0.0,-0.0923830745,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Gd-Li-O-S,24.0,ABC8D2_tP24_118_c_d_2i_f:Gd-Li-O-S +mp-1181578,ErCu(WO4)2,-8.56507295,-2.3853483142,0.0400568555,0.0400568555,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cu-Er-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cu-Er-O-W +mp-505166,ErCu(WO4)2,-8.5645041575,-2.3847795217,0.040625648,0.040625648,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Cu-Er-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Cu-Er-O-W, expected ErCu(WO8)2 to be ErCu(WO4)2" +mp-17194,ErCu(WO4)2,-8.5669315787,-2.3872069429,0.0381982267,0.0381982267,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Cu-Er-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Cu-Er-O-W +mp-1210866,LiVCdF6,-5.5802069472,-2.9819188915,0.0,-0.0078199417,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cd-F-Li-V,18.0,AB6CD_hP18_163_b_i_c_d:Cd-F-Li-V +mp-1195014,GeC4(BrF5)2,-5.3810712762,-1.6305691491,0.2149583454,0.2149583454,GGA,P4_32_12,A2B4C10D_tP68_96_b_2b_5b_a:Br-C-F-Ge,68.0,A2B4C10D_tP68_96_b_2b_5b_a:Br-C-F-Ge +mp-729496,Ge(BrF5)2,-3.8746792312,-1.8097658319,0.0180082304,0.0023104319,GGA,P2_1,A2B10C_mP26_4_2a_10a_a:Br-F-Ge,26.0,"Invalid WP multiplicities - A2B10C_mP26_14_e_6e_a:Br-F-Ge, expected Ge(BrF6)2 to be Ge(BrF5)2" +mp-27218,Ge(BrF5)2,-3.8926874615,-1.8277740623,0.0,-0.0156977985,GGA,P2_1/c,A2B10C_mP26_14_e_5e_a:Br-F-Ge,26.0,"Invalid WP multiplicities - A2B10C_mP26_14_e_6e_a:Br-F-Ge, expected Ge(BrF6)2 to be Ge(BrF5)2" +mp-1197268,Ge(C6F5)4,-6.204139925,-0.3299048356,0.9391446834,0.9391446834,GGA,I4_1/a,A24B20C_tI180_88_6f_5f_a:C-F-Ge,90.0,A24B20C_tI180_88_6f_5f_a:C-F-Ge +mp-1206408,K4C,-1.7837430520000002,0.9503092041,0.9581334627,0.9581334627,GGA,I4/mmm,AB4_tI10_139_a_j:C-K,5.0,AB4_tI10_139_a_j:C-K +mp-1211945,K2C,-2.4399499933,1.3765378022,1.3895782331,1.3895782331,GGA,Fm-3m,AB2_cF12_225_a_c:C-K,3.0,AB2_cF12_225_a_c:C-K +mp-16791,KC10,-8.2680340815,0.2226071796,0.2510590289,0.2510590289,GGA,Im-3,A10B_cI132_204_g2h_e:C-K,66.0,A10B_cI132_204_g2h_e:C-K +mp-570066,KZr6CCl15,-6.0842741272,-2.1993472524,0.0,-0.0193325237,GGA,Pmma,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-K-Zr,92.0,"Invalid WP multiplicities - AB15CD6_oP92_51_a2f_2e2f4g4i4j4k39l_k_4f4i10l:C-Cl-K-Zr, expected K2Zr52(CCl64)3 to be KZr6CCl15" +mp-1211583,KC2,-5.2204793867,1.3020972573,1.3281781193,1.3281781193,GGA,C2/m,A2B_mC12_12_2i_i:C-K,6.0,A2B_mC12_12_2i_i:C-K +mp-1211632,KC2,-5.2261231133,1.2964535307,1.3225343926,1.3225343926,GGA,C2/c,A2B_mC12_15_f_e:C-K,6.0,A2B_mC12_15_f_e:C-K +mp-1211615,KC2,-5.21348922,1.309087424,1.3351682859,1.3351682859,GGA,Immm,A2B_oI6_71_f_a:C-K,3.0,A2B_oI6_71_f_a:C-K +mp-1072274,KC2,-5.237371455,1.285205189,1.3112860509,1.3112860509,GGA,P4/nmm,A2B_tP6_129_2c_c:C-K,6.0,A2B_tI6_139_e_a:C-K +mp-2285616,KC2,-5.2374745533,1.2851020907,1.3111829526,1.3111829526,GGA,I4/mmm,A2B_tI6_139_e_a:C-K,3.0,A2B_tI6_139_e_a:C-K +mp-28930,KC8,-8.3614103589,-0.0347744826,0.0,-0.0347744826,GGA,Fddd,A8B_oF72_70_2h_a:C-K,18.0,A8B_oF72_70_2h_a:C-K +mp-1064814,KC,-2.851810155,2.3177220647,2.3372827112,2.3372827112,GGA,C2/m,AB_mC8_12_ad_i:C-K,4.0,AB_cF8_225_a_b:C-K +mp-1064300,KC,-2.851829595,2.3177026247,2.3372632712,2.3372632712,GGA,C2/c,AB_mC8_15_c_e:C-K,4.0,AB_cF8_225_a_b:C-K +mp-243,KC,-4.9205721981,0.2489600216,0.2685206681,0.2685206681,GGA,I4_1/acd,AB_tI32_142_f_e:C-K,16.0,AB_tI32_142_f_e:C-K +mp-722819,KC,-2.85236488,2.3171673397,2.3367279862,2.3367279862,GGA,Fm-3m,AB_cF8_225_a_b:C-K,2.0,AB_cF8_225_a_b:C-K +mp-29687,KC60,-8.7372294577,0.358349698,0.3634803593,0.3634803593,GGA,Pnnm,A60B_oP122_58_2g14h_a:C-K,122.0,"Invalid WP multiplicities - A60B_oP122_58_2g15h_a:C-K, expected KC64 to be KC60" +mp-1196010,Ho2Nb2S7O30,-7.3073007659,-2.2652705652,0.0133234678,0.0133234678,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Ho-Nb-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Ho-Nb-O-S +mp-1216690,TiWC2,-10.2236127825,-0.3958744746,0.069504975,0.069504975,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ti-W,4.0,A2BC_hR12_166_c_a_b:C-Ti-W +mp-1217819,TaTiWC3,-10.4879057733,-0.4216730476,0.1186693783,0.1186693783,GGA,P3m1,A3BCD_hP6_156_abc_a_b_c:C-Ta-Ti-W,6.0,A3BCD_hP6_156_abc_a_b_c:C-Ta-Ti-W +mp-1217826,TaWC2,-10.9561607625,-0.1378510513,0.21066236,0.21066236,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ta-W,4.0,A2BC_hR12_166_c_a_b:C-Ta-W +mp-1095927,Ta2TiW,-6.2479651625,4.8943292142,4.9326147942,4.9326147942,GGA,Immm,A2BC_oI8_71_e_a_b:Ta-Ti-W,4.0,A2BC_oI8_71_e_a_b:Ta-Ti-W +mp-1187209,Ta2TiW,-11.1679134325,-0.0256190558,0.0126665242,0.0126665242,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ta-Ti-W,4.0,A2BC_cF16_225_c_a_b:Ta-Ti-W +mp-1217128,Ti4WC5,-9.721286611,-0.6529440351,0.01864472,0.01864472,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-Ti-W,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a2c_3c_b:C-Ti-W, expected Ti6WC5 to be Ti4WC5" +mp-1097266,TaTiW2,-6.4443013350000005,4.9730811917,5.0350817617,5.0350817617,GGA,Immm,ABC2_oI8_71_a_b_e:Ta-Ti-W,4.0,ABC2_oI8_71_a_b_e:Ta-Ti-W +mp-1218023,Ta4WC5,-11.053653208,-0.4003963868,0.084206707,0.084206707,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-Ta-W,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a3c_3c_b:C-Ta-W, expected Ta6WC7 to be Ta4WC5" +mp-1217115,Ti3WC4,-9.8067677975,-0.6118592662,0.0253612713,0.0253612713,GGA,R-3m,A4B3C_hR24_166_2c_ac_b:C-Ti-W,8.0,"Invalid WP multiplicities - A4B3C_hR24_166_3c_a2c_b:C-Ti-W, expected Ti5WC6 to be Ti3WC4" +mp-1215859,Yb3Y(Si2O7)2,-7.8832311377,-3.2450397727,0.0148888428,0.0148888428,GGA,P1,A14B4CD3_aP22_1_14a_4a_a_3a:O-Si-Y-Yb,,A14B4CD3_aP22_1_14a_4a_a_3a:O-Si-Y-Yb +mp-1517120,KPrTi4O12,-8.2907631428,-2.9111221815,0.1792087599,0.1792087599,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Pr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Pr-Ti, expected KPrTi4O18 to be KPrTi4O12" +mp-1342069,TiP2O7,-8.194387278,-2.8594954771000003,0.1029607568,0.0266636427,GGA,P-1,A7B2C_aP20_2_7i_2i_i:O-P-Ti,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_2i_i:O-P-Ti, expected TiP2O13 to be TiP2O7" +mp-26630,TiP2O7,-8.2908477725,-2.9559559716,0.0065002623,-0.0697968518,GGA,P2_1,A7B2C_mP20_4_7a_2a_a:O-P-Ti,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_13a_3a_a:O-P-Ti, expected TiP3O13 to be TiP2O7" +mp-761010,TiP2O7,-8.2973480347,-2.9624562339,0.0,-0.076297114,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Ti,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_7e_e:O-P-Ti, expected TiP7O27 to be TiP2O7" +mp-761041,TiP2O7,-8.2848829278,-2.9499911269,0.012465107,-0.063832007,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Ti,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_3e_e:O-P-Ti, expected Ti(PO9)3 to be TiP2O7" +mp-1040952,TiP2O7,-8.170002155,-2.8351103541,0.1273458797,0.0510487657,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-Ti,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_28e_5e_e:O-P-Ti, expected TiP5O28 to be TiP2O7" +mp-1200136,TiP2O7,-8.2855791855,-2.9506873846,0.0117688493,-0.0645282648,GGA,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-Ti,40.0,A7B2C_cP40_205_ad_c_b:O-P-Ti +mp-505199,Ti(PO3)3,-8.0492250595,-2.7680252181,0.0362759177,0.0362759177,GGA,Cc,A9B3C_mC156_9_27a_9a_3a:O-P-Ti,78.0,A9B3C_mC156_9_27a_9a_3a:O-P-Ti +mp-1047047,Ti3(P2O7)2,-8.2700057786,-2.8131806341,0.1468668314,0.1468668314,GGA,P2_1/c,A14B4C3_mP42_14_7e_2e_ae:O-P-Ti,42.0,"Invalid WP multiplicities - A14B4C3_mP42_14_27e_3e_2a2e:O-P-Ti, expected TiPO9 to be Ti3(P2O7)2" +mp-1204088,Ti(PO5)2,-7.1274476781,-1.8821412056,0.396671282,0.396671282,GGA,P2_1,A10B2C_mP52_4_20a_4a_2a:O-P-Ti,52.0,A10B2C_mP52_4_20a_4a_2a:O-P-Ti +mp-559530,Ti5(PO5)4,-8.6533026531,-3.1338390553,0.0,-0.0037872991,GGA,P2_12_12_1,A20B4C5_oP116_19_20a_4a_5a:O-P-Ti,116.0,"Invalid WP multiplicities - A20B4C5_oP116_19_78a_14a_18a:O-P-Ti, expected Ti9P7O39 to be Ti5(PO5)4" +mp-25435,TiPO4,-8.4587809525,-2.9428560578000003,0.0865216957,0.0865216957,GGA,Pnma,A4BC_oP24_62_2cd_c_c:O-P-Ti,24.0,"Invalid WP multiplicities - A4BC_oP24_62_4c2d_c_c:O-P-Ti, expected TiPO8 to be TiPO4" +mp-5839,TiPO4,-8.4735960783,-2.9576711836,0.0717065699,0.0717065699,GGA,Cmcm,A4BC_oC24_63_fg_c_a:O-P-Ti,12.0,A4BC_oC24_63_fg_c_a:O-P-Ti +mp-779587,TiPO4,-8.4686908036,-2.9527659089,0.0766118446,0.0766118446,GGA,R-3c,A4BC_hR108_167_2f_e_bc:O-P-Ti,36.0,"Invalid WP multiplicities - A4BC_hR108_167_13f_e_bc:O-P-Ti, expected TiPO26 to be TiPO4" +mp-557289,TiP2Cl8O3,-5.3944232621,-1.9408192304,0.0,-0.0134983734,GGA,P2_1/c,A8B3C2D_mP56_14_8e_3e_2e_e:Cl-O-P-Ti,56.0,"Invalid WP multiplicities - A8B3C2D_mP56_14_28e_8e_6e_e:Cl-O-P-Ti, expected TiP6(Cl7O2)4 to be TiP2Cl8O3" +mp-1217052,Ti6P2O,-8.4056614067,-1.3894118706,0.0,-0.0010907289,GGA,C2/m,AB2C6_mC18_12_a_i_3i:O-P-Ti,9.0,AB2C6_mC18_12_a_i_3i:O-P-Ti +mp-684056,Ti4(PO5)3,-8.6723871823,-3.1259232616,0.0045613838,0.0045613838,GGA,Fdd2,A15B3C4_oF528_43_a22b_a4b_6b:O-P-Ti,132.0,A15B3C4_oF528_43_a22b_a4b_6b:O-P-Ti +mp-752705,Ti(PO3)4,-7.9527678615,-2.722828651,0.024403314,0.024403314,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Ti,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_23f_5f_e:O-P-Ti, expected Ti(P5O23)2 to be Ti(PO3)4" +mp-540258,Ti(PO3)4,-7.9385419894,-2.7086027789,0.038629186,0.038629186,GGA,C2/c,A12B4C_mC68_15_6f_2f_c:O-P-Ti,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_4f_a:O-P-Ti, expected Ti(P4O19)2 to be Ti(PO3)4" +mp-766396,Ti(PO3)4,-7.9382522124,-2.7083130019,0.0389189631,0.0389189631,GGA,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-Ti,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_3f_e:O-P-Ti, expected Ti(P3O19)2 to be Ti(PO3)4" +mp-26114,Ti(PO3)4,-7.97526072,-2.7453215095,0.0019104554,0.0019104554,GGA,Pbcn,A12B4C_oP68_60_6d_2d_c:O-P-Ti,68.0,"Invalid WP multiplicities - A12B4C_oP68_60_21d_5d_c:O-P-Ti, expected Ti(P5O21)2 to be Ti(PO3)4" +mp-559493,TiPCl7O,-4.9578642059,-1.8383402204,0.0,-0.0038939571,GGA,Pbca,A7BCD_oP80_61_7c_c_c_c:Cl-O-P-Ti,80.0,"Invalid WP multiplicities - A7BCD_oP80_61_51c_c_c_c:Cl-O-P-Ti, expected TiPCl51O to be TiPCl7O" +mp-774537,Ti2(PO4)3,-8.2870022421,-2.9110518839,0.0129997727,0.0129997727,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-P-Ti,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_9f_e_c:O-P-Ti, expected Ti2(PO18)3 to be Ti2(PO4)3" +mp-1208353,Ti(PO4)2,-7.8364672809,-2.53686667,0.1562753608,0.1562753608,GGA,P2_1,A8B2C_mP22_4_8a_2a_a:O-P-Ti,22.0,A8B2C_mP22_4_8a_2a_a:O-P-Ti +mp-1208291,Ti(PO4)2,-7.8372149436,-2.5376143327,0.1555276981,0.1555276981,GGA,P2_1/m,A8B2C_mP22_11_4e2f_2e_e:O-P-Ti,22.0,A8B2C_mP22_11_4e2f_2e_e:O-P-Ti +mp-1193635,Ti2P2O11,-7.8496873033,-2.4476096453,0.2302991312,0.2302991312,GGA,P-1,A11B2C2_aP30_2_11i_2i_2i:O-P-Ti,30.0,A11B2C2_aP30_2_11i_2i_2i:O-P-Ti +mp-15800,Ti3PO2,-8.526451295,-2.0275919651,0.3125515009,0.3125515009,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:O-P-Ti,6.0,A2BC3_hP6_164_d_a_bd:O-P-Ti +mp-767002,Ti5PO11,-9.0710832344,-3.229651563,0.0863306511,0.0863306511,GGA,P2_1/c,A11BC5_mP68_14_11e_e_5e:O-P-Ti,68.0,"Invalid WP multiplicities - A11BC5_mP68_14_43e_e_19e:O-P-Ti, expected Ti19PO43 to be Ti5PO11" +mp-867750,Ti3PO7,-8.8728422018,-3.0795149713,0.1347377685,0.1347377685,GGA,R3m,A7BC3_hR33_160_a2b_a_b:O-P-Ti,11.0,"Invalid WP multiplicities - A7BC3_hR33_160_a5b_a_b:O-P-Ti, expected Ti3PO16 to be Ti3PO7" +mp-1198831,TiP2O9,-7.239191441,-1.9690001551,0.4997133731,0.4997133731,GGA,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-P-Ti,48.0,A9B2C_mP48_14_9e_2e_e:O-P-Ti +mp-1044823,Ti2P2O9,-8.498122279,-3.025984783,0.0639099591,0.0639099591,GGA,Pnma,A9B2C2_oP52_62_5c2d_2c_ac:O-P-Ti,52.0,"Invalid WP multiplicities - A9B2C2_oP52_62_7c2d_2c_ac:O-P-Ti, expected Ti2P2O11 to be Ti2P2O9" +mp-1041196,Ti3P3O13,-8.5248260726,-3.038860977,0.0319231371,0.0319231371,GGA,P2_1/m,A13B3C3_mP38_11_7e3f_3e_a2e:O-P-Ti,38.0,"Invalid WP multiplicities - A13B3C3_mP38_11_12e11f_3e_2a3e:O-P-Ti, expected Ti5P3O34 to be Ti3P3O13" +mp-1205044,Gd2Si4CN6,-9.7410718669,-1.3486755867,0.0,-0.0763533834,GGA,P2_1/c,AB2C6D4_mP52_14_e_2e_6e_4e:C-Gd-N-Si,52.0,AB2C6D4_mP52_14_e_2e_6e_4e:C-Gd-N-Si +mp-672360,Gd(C2N3)3,-9.2209276903,-0.1911420953,0.02871686,0.02871686,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Gd-N,32.0,"Invalid WP multiplicities - A6BC9_oC64_63_2g3h_c_c4f4g5h:C-Gd-N, expected GdC16N37 to be Gd(C2N3)3" +mp-1189642,UMnC2,-9.4774149737,0.250274098,0.3852107213,0.3600931786,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mn-U,16.0,A2BC_oP16_62_2c_c_c:C-Mn-U +mp-1207882,UMnC2,-9.862625695,-0.1349366232,0.0,-0.0251175427,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Mn-U,16.0,A2BC_oP16_62_2c_c_c:C-Mn-U +mp-1205583,UMn2SiC,-9.166553333,-0.3126685097,0.0,-0.0412964696,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-U,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-U +mp-1110967,K2CeAgI6,-3.373515212,-1.3908510968,0.0790031825,0.0790031825,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Ce-I-K +mp-1110959,K3CeI6,-3.432866677,-1.6224182674,0.0894221115,0.0894221115,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Ce-I-K,10.0,AB6C3_cF40_225_a_e_bc:Ce-I-K +mp-1212084,K2CeI5,-3.6498227959,-1.7097329461,0.0036180747,0.0036180747,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ce-I-K,32.0,AB5C2_oP32_62_c_3cd_d:Ce-I-K +mp-570548,NaPr4I7N2,-5.1254301993,-1.7373800126,0.0,-0.1176480757,GGA,Pna2_1,A7B2CD4_oP56_33_7a_2a_a_4a:I-N-Na-Pr,56.0,"Invalid WP multiplicities - A7B2CD4_oP56_33_26a_4a_a_13a:I-N-Na-Pr, expected NaPr13(I13N2)2 to be NaPr4I7N2" +mp-667198,TiBrO,-6.1596451504,-1.3612421311,1.2245705296,1.2245705296,GGA,P1,ABC_aP24_1_8a_8a_8a:Br-O-Ti,24.0,ABC_aP24_1_8a_8a_8a:Br-O-Ti +mp-647004,TiBrO,-6.34539147,-1.5469884507,1.03882421,1.03882421,GGA,P2/m,ABC_mP12_10_2m_2m_2m:Br-O-Ti,12.0,"Invalid WP multiplicities - ABC_mP12_10_3m_3m_2m:Br-O-Ti, expected Ti2(BrO)3 to be TiBrO" +mp-1205296,TiBrO,-6.8498875033,-2.051484484,0.5343281767,0.5343281767,GGA,Pmma,ABC_oP6_51_e_e_f:Br-O-Ti,6.0,ABC_oP6_51_e_e_f:Br-O-Ti +mp-23002,TiBrO,-7.36484774,-2.5664447207,0.01936794,0.01936794,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-O-Ti,6.0,ABC_oP6_59_a_a_b:Br-O-Ti +mp-556341,Ti4S8Br6O,-5.7674860337,-1.6128320498000002,0.0,-0.089798855,GGA,P2_1/c,A6BC8D4_mP76_14_6e_e_8e_4e:Br-O-S-Ti,76.0,"Invalid WP multiplicities - A6BC8D4_mP76_14_22e_e_31e_13e:Br-O-S-Ti, expected Ti13S31Br22O to be Ti4S8Br6O" +mp-28407,SBr2O,-3.9670695253,-0.9197707158,0.0,-0.2601286316,GGA,Pca2_1,A2BC_oP32_29_4a_2a_2a:Br-O-S,32.0,"Invalid WP multiplicities - A2BC_oP32_29_4a_2a_4a:Br-O-S, expected S2Br2O to be SBr2O" +mp-1225484,ErV2Fe10N,-8.4623791029,-0.1929335332,0.1599497779,0.1599497779,GGA,Immm,AB10CD2_oI28_71_a_efhk_c_g:Er-Fe-N-V,14.0,AB10CD2_oI28_71_a_efhk_c_g:Er-Fe-N-V +mp-1245691,VFe7N4,-8.3667372254,0.1099322946,0.4915251346,0.4915251346,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Fe-N-V,96.0,A7B4C_cP96_218_bcefi_ei_ad:Fe-N-V +mp-1247009,V8Fe3N8,-9.5294221895,-0.8571447374000001,0.2729782542,0.2729782542,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-N-V,19.0,A3B8C8_mC38_12_ai_4i_4i:Fe-N-V +mp-1246955,VFe2N3,-8.9515479475,-0.4459757367,0.2111225058,0.2111225058,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Fe-N-V,12.0,A2B3C_oC24_36_b_ab_a:Fe-N-V +mp-1246237,VFeN2,-9.1012005863,-0.5444713037,0.2838576412,0.2838576412,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Fe-N-V,8.0,AB2C_hP8_194_a_f_c:Fe-N-V +mp-1225091,Er(VFe5)2,-8.3423695554,-0.0780816285,0.0315119503,0.0315119503,GGA,Immm,AB10C2_oI26_71_a_efhk_g:Er-Fe-V,13.0,AB10C2_oI26_71_a_efhk_g:Er-Fe-V +mp-1245944,V(FeN)4,-8.739348959400001,-0.2604633361,0.2477228714,0.2477228714,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Fe-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Fe-N-V +mp-23355,PAuCl4,-3.6845432554,-1.0043213976,0.0,-0.0483889937,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Au-Cl-P,24.0,AB4C_mP24_14_e_4e_e:Au-Cl-P +mp-558523,PAuClF3,-4.7504270267,-2.0387340151,0.0,-0.025341884,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Au-Cl-F-P,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_3c4d_c:Au-Cl-F-P, expected PAuClF11 to be PAuClF3" +mp-28387,PAuCl8,-3.3570394693,-1.0094916906,0.0,-0.0700547777,GGA,Imma,AB8C_oI80_74_2e_2eh2i2j_f:Au-Cl-P,40.0,AB8C_oI80_74_2e_2eh2i2j_f:Au-Cl-P +mp-1112071,K2GaAuI6,-2.676026206,-0.9397288044,0.1607305865,0.1607305865,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Ga-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Ga-I-K +mp-1194754,Gd2SeOF2,-10.4302167069,-3.693916273,0.0,-0.0824811765,GGA,P6_3/m,A2B2CD_hP36_176_2h_2h_h_h:F-Gd-O-Se,36.0,A2B2CD_hP36_176_2h_2h_h_h:F-Gd-O-Se +mp-559447,Gd3Se4O12F,-8.3314220188,-2.4572342121,0.0,-0.1623354465,GGA,P6_3mc,AB3C12D4_hP40_186_b_c_2cd_bc:F-Gd-O-Se,40.0,"Invalid WP multiplicities - AB3C12D4_hP40_186_b_c_11c9d_2b3c:F-Gd-O-Se, expected Gd3Se11O87F to be Gd3Se4O12F" +mp-676400,TlNO2,-5.9092228825,-0.761094009,0.1118746867,0.1118746867,GGA,P1,AB2C_aP4_1_a_2a_a:N-O-Tl,4.0,AB2C_aP4_1_a_2a_a:N-O-Tl +mp-4453,TlNO2,-5.9193408,-0.7712119265,0.1017567692,0.1017567692,GGA,P3_121,AB2C_hP12_152_a_c_b:N-O-Tl,12.0,AB2C_hP12_152_a_c_b:N-O-Tl +mp-21243,TlHg(NO2)3,-5.0989334445,0.1152429695,0.9062976141,0.9062976141,GGA,Pm-3,AB3C6D_cP11_200_b_c_f_a:Hg-N-O-Tl,11.0,AB3C6D_cP11_200_b_c_f_a:Hg-N-O-Tl +mp-1187530,TlHgO3,-3.704547296,-0.2032693669,0.6045725551000001,0.6045725551000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Tl,5.0,AB3C_cP5_221_a_c_b:Hg-O-Tl +mp-1101007,Tl5NO5,-4.4769885036,-0.3967017569,0.5192595539,0.5192595539,GGA,Pm,AB5C5_mP11_6_a_3ac_b2c:N-O-Tl,11.0,"Invalid WP multiplicities - AB5C5_mP11_6_a_3a2c_b4c:N-O-Tl, expected Tl9NO7 to be Tl5NO5" +mp-5915,TlNO3,-6.098233439,-0.9903925979,0.0,-0.1288186938,GGA,Pnma,AB3C_oP40_62_2c_4cd_d:N-O-Tl,40.0,AB3C_oP40_62_2c_4cd_d:N-O-Tl +mp-662551,TlNO3,-5.4150217195,-0.3071808784,0.6832117195,0.5543930257,GGA,Pnma,AB3C_oP40_62_2c_4cd_d:N-O-Tl,40.0,AB3C_oP40_62_2c_4cd_d:N-O-Tl +mp-557704,TlNO3,-6.0938661933,-0.9860253522,0.0043672457,-0.1244514481,GGA,P3_1,AB3C_hP45_144_3a_9a_3a:N-O-Tl,45.0,"Invalid WP multiplicities - AB3C_hP45_144_5a_26a_8a:N-O-Tl, expected Tl8N5O26 to be TlNO3" +mp-558464,Yb(IO3)3,-5.1452397427,-1.2621700711,0.0,-0.0802446116,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Yb,,"Invalid WP multiplicities - A3B9C_mP52_14_8e_31e_e:I-O-Yb, expected YbI8O31 to be Yb(IO3)3" +mp-1192937,YbI3O11,-4.8530778577,-0.8281923141,0.2656884142,0.2656884142,GGA,P-1,A3B11C_aP30_2_3i_11i_i:I-O-Yb,,A3B11C_aP30_2_3i_11i_i:I-O-Yb +mp-1208202,YbI3O10,-4.4115881304,-0.4525456702,0.7194693958,0.7194693958,GGA,P2_1/c,A3B10C_mP56_14_3e_10e_e:I-O-Yb,,A3B10C_mP56_14_3e_10e_e:I-O-Yb +mp-628599,YbBi2IO4,-5.8016887588,-1.9916002919,0.0316436796,0.0316436796,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Yb,,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Yb +mp-753368,YbIO,-5.00383421,-2.3506130963,0.0696196667,0.0696196667,GGA,P2_1/c,ABC_mP12_14_e_e_e:I-O-Yb,,ABC_mP12_14_e_e_e:I-O-Yb +mp-731593,YbI2O,-4.007349195,-1.6490917722,0.1660828,0.1660828,GGA,Pnma,A2BC_oP16_62_2c_c_c:I-O-Yb,,A2BC_oP16_62_2c_c_c:I-O-Yb +mp-1188247,YbI2O,-3.7968693819,-1.4386119591,0.3765626131,0.3765626131,GGA,Pnma,A2BC_oP16_62_2c_c_c:I-O-Yb,,A2BC_oP16_62_2c_c_c:I-O-Yb +mp-1207235,Yb2I2O,-3.609532076,-1.4150044817,1.206609218,1.206609218,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-Yb,,A2BC2_tP5_123_g_a_g:I-O-Yb +mp-1202602,YbIO9,-4.7693297482,-0.4481321999,0.4891286335,0.4891286335,GGA,P2_1/c,AB9C_mP44_14_e_9e_e:I-O-Yb,,AB9C_mP44_14_e_9e_e:I-O-Yb +mp-1019893,La3Si6N11,-8.4715284,-1.5184597165,0.0,-0.0323111811,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:La-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:La-N-Si +mp-1191312,SiN3F7,-4.2728625177,-0.2896665561,1.2896403711,1.2896403711,GGA,P4/mbm,A7B3C_tP22_127_ahk_bg_c:F-N-Si,22.0,A7B3C_tP22_127_ahk_bg_c:F-N-Si +mp-1192120,Si(NF2)2,-4.9243068348,-0.6751320133000001,1.8066360152,1.8066360152,GGA,Immm,A4B2C_oI42_71_lo_e2f_af:F-N-Si,21.0,A4B2C_oI42_71_lo_e2f_af:F-N-Si +mp-1237804,Si(NF3)2,-4.6763337778,-0.9466469239,0.9836170983,0.9836170983,GGA,C2/m,A6B2C_mC18_12_ij_i_a:F-N-Si,9.0,"Invalid WP multiplicities - A6B2C_mC18_12_2i2j_i_a:F-N-Si, expected Si(NF6)2 to be Si(NF3)2" +mp-1078546,Si(NF3)2,-4.54556582,-0.8158789661,1.1143850561,1.1143850561,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-N-Si,9.0,A6B2C_hP9_164_i_d_a:F-N-Si +mp-1079023,Si(NF3)2,-4.5249030211,-0.7952161672,1.135047855,1.135047855,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-N-Si,9.0,A6B2C_cF36_225_e_c_a:F-N-Si +mp-1194197,La3SiN4F,-8.1815314753,-2.0158872517,0.0,-0.0375826367,GGA,Pnma,AB3C4D_oP36_62_c_cd_2cd_c:F-La-N-Si,36.0,AB3C4D_oP36_62_c_cd_2cd_c:F-La-N-Si +mp-569576,La5(SiN3)3,-8.3777814213,-1.5551670719,0.0,-0.0437854935,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:La-N-Si,68.0,"Invalid WP multiplicities - A5B9C3_oC136_64_3d7f7g_12f20g_2e6f:La-N-Si, expected La6Si2N13 to be La5(SiN3)3" +mp-1019967,LaSi3N5,-8.4557951325,-1.4675244858,0.0,-0.0058080412,GGA,P2_12_12_1,AB5C3_oP36_19_a_5a_3a:La-N-Si,36.0,AB5C3_oP36_19_a_5a_3a:La-N-Si +mp-1205728,CePOs2C,-9.091860099,-0.4859016962,0.1143444215,0.1143444215,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Ce-Os-P,10.0,ABC2D_oC20_63_a_c_f_c:C-Ce-Os-P +mp-1021505,Ce(P3Os)4,-7.43809295,-0.6261994821,0.0,-0.0522307003,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ce-Os-P,17.0,AB4C12_cI34_204_a_c_g:Ce-Os-P +mp-9201,K4Ge2Au7,-3.1655091046,-0.3497532971,0.0,-0.0688792625,GGA,R-3m,A7B2C4_hR39_166_ah_c_2c:Au-Ge-K,13.0,A7B2C4_hR39_166_ah_c_2c:Au-Ge-K +mp-17112,K3Ge4Au,-3.4145140037,-0.2773652211,0.0,-0.0623090881,GGA,Pmmn,AB4C3_oP16_59_a_ef_be:Au-Ge-K,16.0,"Invalid WP multiplicities - AB4C3_oP16_59_a_2e3f_be:Au-Ge-K, expected K3Ge10Au to be K3Ge4Au" +mp-554859,KGeAuS3,-4.4330495065,-0.8636064394,0.0,-0.0197650175,GGA,P2_1/c,ABCD3_mP48_14_2e_2e_2e_6e:Au-Ge-K-S,48.0,"Invalid WP multiplicities - ABCD3_mP48_14_6e_5e_5e_22e:Au-Ge-K-S, expected K5Ge5(Au3S11)2 to be KGeAuS3" +mp-1224468,Hf4UC5,-10.495167575,-0.7688182158,0.010443812,0.010443812,GGA,R-3m,A5B4C_hR30_166_a2c_2c_b:C-Hf-U,10.0,"Invalid WP multiplicities - A5B4C_hR30_166_a4c_3c_b:C-Hf-U, expected Hf6UC9 to be Hf4UC5" +mp-1224284,HfZr2UC4,-10.0772303825,-0.6698975987,0.0111492113,0.0111492113,GGA,R3m,A4BCD2_hR24_160_4a_a_a_2a:C-Hf-U-Zr,8.0,A4BCD2_hR24_160_4a_a_a_2a:C-Hf-U-Zr +mp-1224240,HfUC2,-10.466324845,-0.5398423388,0.0,-0.008500755,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Hf-U,4.0,A2BC_hR12_166_c_a_b:C-Hf-U +mp-1224170,HfZrC2,-10.108537025,-0.8679818637000001,0.0034744725,0.0034744725,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:C-Hf-Zr,4.0,A2BC_tP4_123_ad_b_c:C-Hf-Zr +mp-1215195,ZrUC2,-10.06474769,-0.4906372838,0.0,-0.0267145175,GGA,R-3m,A2BC_hR12_166_c_a_b:C-U-Zr,4.0,A2BC_hR12_166_c_a_b:C-U-Zr +mp-1206496,Ba2I2F,-3.239261942,-1.5000296325,1.0238740068,1.0238740068,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ba-F-I,5.0,A2BC2_tP5_123_g_a_g:Ba-F-I +mp-1220040,Pb3IF5,-4.7842008828,-2.3210117275,0.0734690049,0.0734690049,GGA,Cmc2_1,A5BC3_oC36_36_5a_a_3a:F-I-Pb,18.0,"Invalid WP multiplicities - A5BC3_oC36_36_7a_a_4a:F-I-Pb, expected Pb4IF7 to be Pb3IF5" +mp-540938,Pb5(IF4)2,-4.7136415773,-2.260188258,0.0767070192,0.0767070192,GGA,R3m,A8B2C5_hR45_160_8a_2a_5a:F-I-Pb,15.0,A8B2C5_hR45_160_8a_2a_5a:F-I-Pb +mp-28087,Pb4IF7,-4.9121639121000005,-2.4368049619,0.0296575895,0.0296575895,GGA,Cmcm,A7BC4_oC48_63_ceh_c_4c:F-I-Pb,24.0,"Invalid WP multiplicities - A7BC4_oC48_63_c2eh_c_4c:F-I-Pb, expected Pb4IF9 to be Pb4IF7" +mp-554245,BaPb2IF5,-5.1495901511,-2.8856978992,0.0026415354,0.0026415354,GGA,P4/nmm,AB5CD2_tP18_129_a_cj_b_2c:Ba-F-I-Pb,18.0,"Invalid WP multiplicities - AB5CD2_tP18_129_a_2c2j_b_3c:Ba-F-I-Pb, expected BaPb3IF10 to be BaPb2IF5" +mp-22969,PbIF,-4.16337826,-1.7975474642,0.0210787163,0.0210787163,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-I-Pb,6.0,ABC_tP6_129_a_c_c:F-I-Pb +mp-22951,BaIF,-4.9322117067,-3.1642716208,0.0,-0.0400451187,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ba-F-I,6.0,ABC_tP6_129_c_a_c:Ba-F-I +mp-1192856,Rb2WSe4,-5.2373899521,-1.1084121971,0.0,-0.0693333795,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Rb-Se-W,28.0,A2B4C_oP28_62_2c_2cd_c:Rb-Se-W +mp-1209461,Rb2W3SeO12,-7.8717998803,-2.1111534999,0.0,-0.0342651724,GGA+U,P6_3,A12B2CD3_hP36_173_4c_2b_a_c:O-Rb-Se-W,36.0,A12B2CD3_hP36_173_4c_2b_a_c:O-Rb-Se-W +mp-29144,KTe2F9,-4.6777869396,-2.6277601528,0.0,-0.0012230769,GGA,P-1,A9BC2_aP24_2_9i_i_2i:F-K-Te,24.0,A9BC2_aP24_2_9i_i_2i:F-K-Te +mp-554532,K2TeClF5,-4.4961260228,-2.6327887689,0.0,-0.0006940306,GGA,P2_1/c,AB5C2D_mP36_14_e_5e_2e_e:Cl-F-K-Te,36.0,"Invalid WP multiplicities - AB5C2D_mP36_14_e_18e_6e_e:Cl-F-K-Te, expected K6TeClF18 to be K2TeClF5" +mp-4648,KTeF5,-4.7119262629000005,-2.7389120232,0.0,-0.0671289604,GGA,Pbcm,A5BC_oP28_57_d2e_c_d:F-K-Te,28.0,"Invalid WP multiplicities - A5BC_oP28_57_d3e_c_d:F-K-Te, expected KTeF7 to be KTeF5" +mp-649754,Os3C9Se2O9,-8.289746485,-0.9744372207,0.1288637686,0.1288637686,GGA,P-1,A9B9C3D2_aP46_2_9i_9i_3i_2i:C-O-Os-Se,46.0,"Invalid WP multiplicities - A9B9C3D2_aP46_2_18i_15i_6i_3i:C-O-Os-Se, expected Os2C6SeO5 to be Os3C9Se2O9" +mp-1071625,CSe2,-5.0491111417,0.3577183409,0.3577183409,0.3577183409,GGA,Cmce,AB2_oC12_64_a_f:C-Se,6.0,AB2_oC12_64_a_f:C-Se +mp-560839,C4SeO2,-7.4615801746,-0.2753014789,0.483417349,0.483417349,GGA,Pnnm,A4B2C_oP28_58_2h_h_g:C-O-Se,28.0,"Invalid WP multiplicities - A4B2C_oP28_58_8h_h_g:C-O-Se, expected C16SeO2 to be C4SeO2" +mp-651026,Os2C6SeO6,-8.3522698496,-0.9520850789,0.1593306027,0.1593306027,GGA,P-1,A6B6C2D_aP120_2_24i_24i_8i_4i:C-O-Os-Se,120.0,"Invalid WP multiplicities - A6B6C2D_aP120_2_48i_46i_14i_7i:C-O-Os-Se, expected Os14C48Se7O46 to be Os2C6SeO6" +mp-571544,KTiPSe5,-5.0429765406,-1.0556326833,0.0,-0.0180160845,GGA,C2/m,ABC5D_mC32_12_i_i_3ij_g:K-P-Se-Ti,16.0,"Invalid WP multiplicities - ABC5D_mC32_12_i_i_6i3j_g:K-P-Se-Ti, expected KTiPSe12 to be KTiPSe5" +mp-773503,V2CrO7,-8.4441403267,-2.1993722679,0.0450032322,0.0450032322,GGA+U,Pa-3,AB7C2_cP40_205_a_bd_c:Cr-O-V,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_2b2d_c:Cr-O-V, expected V2CrO14 to be V2CrO7" +mp-1306095,V2CrO6,-8.7379835139,-2.3489844164,0.0537309297,0.0537309297,GGA+U,P-1,AB6C2_aP18_2_i_6i_2i:Cr-O-V,18.0,"Invalid WP multiplicities - AB6C2_aP18_2_i_9i_2i:Cr-O-V, expected V2CrO9 to be V2CrO6" +mp-1312918,V2CrO6,-8.7356635644,-2.3466644669,0.0560508791,0.0560508791,GGA+U,C2,AB6C2_mC36_5_ab_6c_2c:Cr-O-V,18.0,"Invalid WP multiplicities - AB6C2_mC36_5_ab_10c_4c:Cr-O-V, expected V4CrO10 to be V2CrO6" +mp-754506,V2CrO6,-8.6950493489,-2.3060502514,0.0966650947,0.0966650947,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Cr-O-V,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_11f_f:Cr-O-V, expected V2CrO22 to be V2CrO6" +mp-1247235,V3CrO8,-8.71278701,-2.3395973958000003,0.0827200872,0.0827200872,GGA+U,P-1,AB8C3_aP12_2_b_4i_ei:Cr-O-V,12.0,"Invalid WP multiplicities - AB8C3_aP12_2_b_7i_ei:Cr-O-V, expected V3CrO14 to be V3CrO8" +mp-755402,V3CrO8,-8.7535428433,-2.3803532292,0.0419642539,0.0419642539,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Cr-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Cr-O-V +mp-1246656,V3CrO8,-8.61810509,-2.2449154758,0.1774020072,0.1774020072,GGA+U,C2/m,AB8C3_mC24_12_c_2ij_ae:Cr-O-V,12.0,"Invalid WP multiplicities - AB8C3_mC24_12_a_4i4j_de:Cr-O-V, expected V3CrO24 to be V3CrO8" +mp-1216348,VCrMo,-9.8665430933,-0.00567521,0.0636437967,0.0636437967,GGA,Fmm2,ABC_oF12_42_a_a_a:Cr-Mo-V,3.0,ABC_oF12_42_a_a_a:Cr-Mo-V +mp-1096734,V2CrMo,-5.893041645,3.773585785,3.8479305342,3.8479305342,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mo-V,4.0,ABC2_oI8_71_a_b_e:Cr-Mo-V +mp-771702,VCr2O6,-8.6339516667,-2.1817146358,0.076809098,0.076809098,GGA+U,Pbcn,A2B6C_oP36_60_d_3d_c:Cr-O-V,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_d_14d_c:Cr-O-V, expected VCr2O28 to be VCr2O6" +mp-773509,VCr2O6,-8.6623445658,-2.210107535,0.0484161988,0.0484161988,GGA+U,Pbcn,A2B6C_oP36_60_2c_3d_c:Cr-O-V,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_7c_9d_c:Cr-O-V, expected VCr7O18 to be VCr2O6" +mp-1101261,VCr2O6,-8.6663032544,-2.2140662236,0.0444575102,0.0444575102,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Cr-O-V,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_4f5j_a:Cr-O-V, expected VCr2O28 to be VCr2O6" +mp-19015,VCrMoO7,-8.6136259305,-2.1926834676,0.0122385473,0.0122385473,GGA+U,P-1,ABC7D_aP20_2_i_i_7i_i:Cr-Mo-O-V,20.0,ABC7D_aP20_2_i_i_7i_i:Cr-Mo-O-V +mp-17831,VCrO4,-8.7648825517,-2.3442644875,0.0192465845,0.0192465845,GGA+U,C2/m,AB4C_mC48_12_gi_2i3j_hi:Cr-O-V,24.0,AB4C_mC48_12_gi_2i3j_hi:Cr-O-V +mp-19418,VCrO4,-8.7764096308,-2.3557915667,0.0077195053,0.0077195053,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Cr-O-V,12.0,AB4C_oC24_63_a_fg_c:Cr-O-V +mp-752903,VCrO4,-8.7195799858,-2.2989619217,0.0645491503,0.0645491503,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Cr-O-V,12.0,AB4C_oI24_74_a_hi_e:Cr-O-V +mp-754350,V5CrO12,-8.7274587939,-2.3700786631,0.071840957,0.071840957,GGA+U,C2,AB12C5_mC36_5_a_6c_b2c:Cr-O-V,18.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_12c_b4c:Cr-O-V, expected V9CrO24 to be V5CrO12" +mp-772310,VCrO5,-8.1631939996,-1.9531372716,0.0951709251,0.0951709251,GGA+U,Pnma,AB5C_oP28_62_c_3cd_c:Cr-O-V,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_9c4d_c:Cr-O-V, expected VCrO17 to be VCrO5" +mp-755604,V3CrO10,-8.2637527179,-2.094348947,0.0812590598,0.0812590598,GGA+U,P-4m2,AB10C3_tP14_115_a_gjk_bg:Cr-O-V,28.0,"Invalid WP multiplicities - AB10C3_tP14_115_a_gjk_b2g:Cr-O-V, expected V5CrO10 to be V3CrO10" +mp-1306534,VCr2O4,-9.1001707243,-2.2177770307,0.0968287949,0.0968287949,GGA+U,Cm,A2B4C_mC28_8_2ab_4a2b_2a:Cr-O-V,14.0,A2B4C_aP14_1_4a_8a_2a:Cr-O-V +mp-1314508,VCr2O4,-9.1143550086,-2.231961315,0.0826445106,0.0826445106,GGA+U,I4_1/amd,A2B4C_tI28_141_c_h_b:Cr-O-V,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ac_2h3i_e:Cr-O-V, expected VCr2O10 to be VCr2O4" +mp-754077,VCr2O4,-9.0962919929,-2.2138982993,0.1007075263,0.1007075263,GGA+U,Fd-3m,A2B4C_cF56_227_c_e_b:Cr-O-V,14.0,A2B4C_cF56_227_c_e_b:Cr-O-V +mp-753988,VCrO3,-9.155518006,-2.4401140712,0.0112170361,0.0112170361,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-803450,VCrO3,-6.4477418455,0.2676620892,2.7189931966,2.7189931966,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-770778,VCrO3,-9.153762243,-2.4383583082,0.0129727991,0.0129727991,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-770843,VCrO3,-9.1555475535,-2.4401436187,0.0111874886,0.0111874886,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-770849,VCrO3,-9.155606201,-2.4402022662,0.0111288411,0.0111288411,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-806062,VCrO3,-6.5462284725,0.1691754622,2.6205065696,2.6205065696,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-806072,VCrO3,-6.558937358,0.1564665768,2.6077976841,2.6077976841,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-754036,VCrO3,-9.155962027,-2.4405580922,0.0107730151,0.0107730151,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-770779,VCrO3,-9.1573535985,-2.4419496637,0.0093814436,0.0093814436,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-755281,VCrO3,-9.1544262135,-2.4390222787,0.0123088286,0.0123088286,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-807999,VCrO3,-6.533004731,0.1823992038,2.6337303111,2.6337303111,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-757023,VCrO3,-9.1534814305,-2.4380774957,0.0132536116,0.0132536116,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1337287,VCrO3,-7.893011195,-1.1776072602,1.2737238471,1.2737238471,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1370790,VCrO3,-7.6032561855,-0.8878522507000001,1.5634788566,1.5634788566,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1375284,VCrO3,-7.518737944,-0.8033340092,1.6479970981,1.6479970981,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1376270,VCrO3,-7.866720797,-1.1513168622,1.3000142451,1.3000142451,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1373421,VCrO3,-7.601998721,-0.8865947862,1.5647363211,1.5647363211,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:Cr-O-V,20.0,AB3C_aP20_1_4a_12a_4a:Cr-O-V +mp-1101715,VCrO3,-9.1570330045,-2.4416290697000003,0.0097020376,0.0097020376,GGA+U,P-1,AB3C_aP20_2_2i_6i_2i:Cr-O-V,20.0,"Invalid WP multiplicities - AB3C_aP20_2_3i_10i_3i:Cr-O-V, expected V3Cr3O10 to be VCrO3" +mp-1374293,VCrO3,-7.801229788,-1.0858258532,1.3655052541,1.3655052541,GGA+U,P-1,AB3C_aP20_2_2i_6i_2i:Cr-O-V,20.0,"Invalid WP multiplicities - AB3C_aP20_2_3i_10i_3i:Cr-O-V, expected V3Cr3O10 to be VCrO3" +mp-770855,VCrO3,-9.15518871,-2.4397847752,0.0115463321,0.0115463321,GGA+U,C2,AB3C_mC40_5_2c_ab5c_2c:Cr-O-V,20.0,"Invalid WP multiplicities - AB3C_mC40_5_2c_ab10c_2c:Cr-O-V, expected V2Cr2O11 to be VCrO3" +mp-1216392,VCrO3,-9.159223562,-2.4438196272,0.0075114801,0.0075114801,GGA+U,R3c,AB3C_hR30_161_a_b_a:Cr-O-V,10.0,AB3C_hR30_161_a_b_a:Cr-O-V +mp-849774,V16CrO41,-8.4100523043,-2.2409181362,0.0707882243,0.0707882243,GGA+U,Pmm2,AB41C16_oP58_25_a_acd2e2f2gh6i_ef3i:Cr-O-V,58.0,"Invalid WP multiplicities - AB41C16_oP58_25_a_acd4e4f3gh19i_2e2f7i:Cr-O-V, expected V36CrO103 to be V16CrO41" +mp-831249,V4Cr2O13,-8.6687971704,-2.3557091459,0.0067913805,-0.0241821464,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Cr-O-V,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Cr-O-V, expected V5CrO17 to be V4Cr2O13" +mp-1200219,V4Cr2O13,-8.6755885509,-2.3625005264,0.0,-0.030973527,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Cr-O-V,76.0,A2B13C4_mP76_14_2e_13e_4e:Cr-O-V +mp-1096206,VCrMo2,-5.959888945,4.147174495,4.19916375,4.19916375,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Mo-V,4.0,AB2C_oI8_71_a_e_b:Cr-Mo-V +mp-1246941,VCr3O8,-8.4838786367,-2.0158321225,0.1901979422,0.1901979422,GGA+U,C2/m,A3B8C_mC24_12_ce_2ij_a:Cr-O-V,12.0,"Invalid WP multiplicities - A3B8C_mC24_12_ae_4ij_d:Cr-O-V, expected VCr3O12 to be VCr3O8" +mp-1096295,VCr2Mo,-5.6847628225,4.1241499575,4.177242085,4.177242085,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Mo-V,4.0,A2BC_oI8_71_e_a_b:Cr-Mo-V +mp-1225791,Cu3P(SeS)2,-4.5505081925,-0.4285525418,0.0194282559,0.0194282559,GGA,Pmn2_1,A3BC2D2_oP16_31_ab_a_b_2a:Cu-P-S-Se,16.0,A3BC2D2_oP16_31_ab_a_b_2a:Cu-P-S-Se +mp-1111385,K2RbCoF6,-4.8480265330000005,-2.6701741763,0.0385881545,0.0385881545,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Rb +mp-560071,KRb2CoF6,-4.888913617,-2.7240477478000003,0.0,-0.042033569,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Co-F-K-Rb +mp-1194517,Nd2SeOF2,-7.3286154747,-3.6949733099,0.0061162247,0.0061162247,GGA,P6_3/m,A2B2CD_hP36_176_2h_2h_h_h:F-Nd-O-Se,36.0,A2B2CD_hP36_176_2h_2h_h_h:F-Nd-O-Se +mp-12620,NdSeF,-6.57769118,-3.1858452208,0.009991146,0.009991146,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Nd-Se,6.0,ABC_tP6_129_a_c_c:F-Nd-Se +mp-1207301,Nd2Se2F,-4.702085708,-1.0141663504,1.7298594616,1.7298594616,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Nd-Se,5.0,AB2C2_tP5_123_a_g_g:F-Nd-Se +mp-1028269,Mg14AlV,-2.1291215406,0.0729661219,0.1228839306,0.1228839306,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-V, expected Mg18AlV to be Mg14AlV" +mp-1028256,Mg14AlV,-2.1257772713,0.0763103912,0.1262281999999999,0.1262281999999999,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-V, expected Mg26AlV to be Mg14AlV" +mp-1247119,Mg2Al3VS8,-5.4480584579,-1.4042875582,0.0522196349,0.0522196349,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Al-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Al-Mg-S-V, expected Mg2Al3VS22 to be Mg2Al3VS8" +mp-1201511,Mg3(Al9V)2,-4.0674046961,-0.1374474252,0.0,-0.0283699328,GGA,Fd-3m,A18B3C2_cF184_227_fg_ac_d:Al-Mg-V,46.0,A18B3C2_cF184_227_fg_ac_d:Al-Mg-V +mp-1247454,Mg2AlV3S8,-6.1197839629,-1.3133944575,0.099954047,0.099954047,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Al-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Al-Mg-S-V, expected Mg2AlV3S16 to be Mg2AlV3S8" +mp-1246431,MgAlVS4,-5.7835166521,-1.3584364496,0.0764913992,0.0764913992,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Al-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Al-Mg-S-V, expected MgAlVS12 to be MgAlVS4" +mp-1185716,Mg16Al12V,-2.7397751579,0.0062695603,0.0771590741,0.0771590741,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-V,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a9b5c_a:Al-Mg-V, expected Mg58Al39V to be Mg16Al12V" +mp-1185723,Mg16Al12V,-2.7342162855,0.0118284328,0.0827179465,0.0827179465,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-V,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-V, expected Mg48Al12V to be Mg16Al12V" +mp-1023393,Mg6AlV,-2.6622949506,0.1416003244,0.2167825269,0.2167825269,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-V, expected Mg12AlV to be Mg6AlV" +mp-1023394,Mg6AlV,-2.6709273181,0.1329679569,0.2081501594,0.2081501594,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-V, expected Mg12AlV to be Mg6AlV" +mp-540820,Re(CO)5,-8.6044526648,-1.0297891917,0.2298827825,0.2298827825,GGA,C2/c,A5B5C_mC88_15_5f_5f_f:C-O-Re,44.0,A5B5C_mC88_15_5f_5f_f:C-O-Re +mp-1221941,MnRe(CO)10,-8.3330681389,-0.9076097518,0.4214120994,0.4214120994,GGA+U,C2,A10BC10D_mC88_5_10c_c_10c_c:C-Mn-O-Re,44.0,A10BC10D_mC88_5_10c_c_10c_c:C-Mn-O-Re +mp-560403,InAg(WO4)2,-7.82801346,-1.9051793031,0.0217874194,0.0217874194,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Ag-In-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mP24_13_e_f_10g_g:Ag-In-O-W, expected InAg(WO10)2 to be InAg(WO4)2" +mp-1188940,GeNCl3,-3.6230443585,0.0779821935,1.1721043753,1.1721043753,GGA,Pnma,A3BC_oP20_62_cd_c_c:Cl-Ge-N,20.0,A3BC_oP20_62_cd_c_c:Cl-Ge-N +mp-1224374,GeNCl3,-3.52234725,0.178679302,1.2728014838,1.2728014838,GGA,R3m,A3BC_hR15_160_b_a_a:Cl-Ge-N,5.0,A3BC_hR15_160_b_a_a:Cl-Ge-N +mp-1202398,GeC4NCl3,-5.2264912961,0.9312636739,1.5391093305,1.5391093305,GGA,Pna2_1,A4B3CD_oP36_33_4a_3a_a_a:C-Cl-Ge-N,36.0,A4B3CD_oP36_33_4a_3a_a_a:C-Cl-Ge-N +mp-1181268,GeC4NCl3,-5.2564510622,0.9013039078,1.5091495644,1.5091495644,GGA,Pnma,A4B3CD_oP36_62_2cd_cd_c_c:C-Cl-Ge-N,36.0,A4B3CD_oP36_62_2cd_cd_c_c:C-Cl-Ge-N +mp-1197524,GeC4NCl3,-5.6218370731,0.5359178969,1.1437635535,1.1437635535,GGA,Pnma,A4B3CD_oP36_62_2cd_cd_c_c:C-Cl-Ge-N,36.0,A4B3CD_oP36_62_2cd_cd_c_c:C-Cl-Ge-N +mp-1190824,CN4Cl,-6.8563955642,0.5474680779000001,0.6943824656,0.6943824656,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:C-Cl-N,24.0,ABC4_mP24_14_e_e_4e:C-Cl-N +mp-725221,CN4Cl,-6.806882295,0.5969813471000001,0.7438957347,0.7438957347,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:C-Cl-N,24.0,ABC4_mP24_14_e_e_4e:C-Cl-N +mp-1188937,CN3Cl,-6.484104575,0.7332328105,0.9095300757,0.9095300757,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-Cl-N,20.0,ABC3_mP20_14_e_e_3e:C-Cl-N +mp-1105904,CN6Cl,-7.1402958025,0.4967256603,0.606911451,0.606911451,GGA,P2_1/m,ABC6_mP16_11_e_e_6e:C-Cl-N,16.0,"Invalid WP multiplicities - ABC6_mP16_11_e_e_12e:C-Cl-N, expected CN12Cl to be CN6Cl" +mp-571324,CNCl,-6.7650611344,-0.2938287753,0.0,-0.0104396754,GGA,C2/c,ABC_mC36_15_ef_ef_ef:C-Cl-N,18.0,"Invalid WP multiplicities - ABC_mC36_15_2e2f_ef_ef:C-Cl-N, expected C2NCl to be CNCl" +mp-27502,CNCl,-6.4394055267,0.0318268325,0.3256556078,0.3152159324,GGA,Pmmn,ABC_oP6_59_a_a_a:C-Cl-N,6.0,ABC_oP6_59_a_a_a:C-Cl-N +mp-1071791,CNCl,-5.1775992817,1.2936330775,1.5874618528000002,1.5770221774,GGA,P4/nmm,ABC_tP6_129_c_a_c:C-Cl-N,6.0,ABC_tP6_129_c_a_c:C-Cl-N +mp-1246426,GeCN2,-7.5258952819,0.1052755175,0.2498144779,0.2498144779,GGA,Pnma,ABC2_oP16_62_c_c_d:C-Ge-N,16.0,ABC2_oP16_62_c_c_d:C-Ge-N +mp-1245873,GeCN2,-7.4934522675,0.1377185319,0.2822574923,0.2822574923,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Ge-N,4.0,ABC2_hR12_166_a_b_c:C-Ge-N +mp-1245882,GeCN2,-7.47434204,0.1568287594,0.3013677198,0.3013677198,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:C-Ge-N,8.0,ABC2_hP8_194_c_a_f:C-Ge-N +mp-1214251,C4NCl3,-6.589315633,-0.2397197736,0.0711802299,0.0711802299,GGA,P2_1/c,A4B3C_mP64_14_8e_6e_2e:C-Cl-N,64.0,A4B3C_mP64_14_8e_6e_2e:C-Cl-N +mp-1214997,C6N7Cl3,-7.625800694,-0.1712339809,0.0,-0.0059552948,GGA,C2/c,A6B3C7_mC384_15_18f_9f_21f:C-Cl-N,192.0,A6B3C7_mC384_15_18f_9f_21f:C-Cl-N +mp-1080825,C3NCl,-6.174505964,1.3996996485,1.5759969137,1.5759969137,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:C-Cl-N,10.0,A3BC_mP10_11_ef_e_e:C-Cl-N +mp-722045,C3NCl,-6.355672524,1.2185330885,1.3948303537,1.3948303537,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:C-Cl-N,10.0,A3BC_mP10_11_ef_e_e:C-Cl-N +mp-1214248,C4NCl2,-7.0406004807,-0.0479961643,0.1926242895,0.1926242895,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:C-Cl-N,28.0,A4B2C_mP28_14_4e_2e_e:C-Cl-N +mp-1214369,C4NCl2,-7.0408686762,-0.0482643598,0.192356094,0.192356094,GGA,P2_1/c,A4B2C_mP56_14_8e_4e_2e:C-Cl-N,56.0,A4B2C_mP56_14_8e_4e_2e:C-Cl-N +mp-1214375,C4NCl2,-7.0417489673,-0.0491446509,0.1914758029,0.1914758029,GGA,P2_1/c,A4B2C_mP56_14_8e_4e_2e:C-Cl-N,56.0,A4B2C_mP56_14_8e_4e_2e:C-Cl-N +mp-1182108,C2NCl,-5.5350758381,1.6255148044,1.8458863858,1.8458863858,GGA,Ibam,A2BC_oI32_72_k_j_j:C-Cl-N,16.0,A2BC_oI32_72_k_j_j:C-Cl-N +mp-1189989,C2NCl,-5.7247854538,1.4358051887,1.6561767702,1.6561767702,GGA,Ibam,A2BC_oI32_72_k_j_j:C-Cl-N,16.0,A2BC_oI32_72_k_j_j:C-Cl-N +mp-1025339,Y2Fe2Si2C,-7.8066035129,-0.6705626273,0.0,-0.0764837521,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Y,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Fe-Si-Y +mp-1206116,YFe2SiC,-8.117157265,-0.5050578538,0.0,-0.0356640147,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Fe-Si-Y +mp-672334,Sr4GaCN5,-6.3884836432,-0.8705554656000001,0.0090742491,0.0090742491,GGA,P2_1/c,ABC5D4_mP44_14_e_e_5e_4e:C-Ga-N-Sr,44.0,"Invalid WP multiplicities - ABC5D4_mP44_14_e_e_16e_13e:C-Ga-N-Sr, expected Sr13GaCN16 to be Sr4GaCN5" +mp-1046244,SrBi(PO4)2,-7.2490052292,-2.5881637886,0.1065603824,0.1065603824,GGA,P-1,AB8C2D_aP24_2_i_8i_2i_i:Bi-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Bi-O-P-Sr, expected SrBi(PO7)2 to be SrBi(PO4)2" +mp-1013530,Sr3BiP,-3.02385598,-0.1594015807,0.8087402769,0.8087402769,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-P-Sr,5.0,ABC3_cP5_221_b_a_c:Bi-P-Sr +mp-1013643,Sr3BiP,-3.788244822,-0.9237904227,0.0443514349,0.0443514349,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-P-Sr,5.0,ABC3_cP5_221_a_b_c:Bi-P-Sr +mp-561005,SrBi6(PO5)4,-7.1008577577,-2.4131347744,0.0,-0.0200471493,GGA,P-1,A6B20C4D_aP31_2_3i_10i_2i_a:Bi-O-P-Sr,31.0,"Invalid WP multiplicities - A6B20C4D_aP31_2_6i_20i_4i_a:Bi-O-P-Sr, expected SrBi12(PO5)8 to be SrBi6(PO5)4" +mp-1218632,Sr4BiP3O13,-7.4602802783,-3.1200267684,0.0,-0.012017958,GGA,P2_1/m,AB13C3D4_mP42_11_e_7e3f_3e_2ef:Bi-O-P-Sr,42.0,"Invalid WP multiplicities - AB13C3D4_mP42_11_e_13e12f_6e_4ef:Bi-O-P-Sr, expected Sr6BiP6O37 to be Sr4BiP3O13" +mp-18160,Cs2SrV4O12,-7.7854831068,-2.5656837904,0.0,-0.0158960063,GGA+U,P4/mmm,A2B12CD4_tP19_123_e_lr_d_j:Cs-O-Sr-V,19.0,A2B12CD4_tP19_123_e_lr_d_j:Cs-O-Sr-V +mp-1194869,NbTlV2O8,-8.2743260648,-2.4238868967,0.0079568819,0.001304559,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Tl-V,48.0,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Tl-V +mp-1194961,NbTlV2O8,-8.2822829467,-2.4318437786,0.0,-0.0066523229,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Tl-V,48.0,AB8CD2_oP48_62_c_4c2d_c_2c:Nb-O-Tl-V +mp-17366,Ho2SiSO4,-8.2708164028,-3.4566488426,0.0186076709,0.0186076709,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Ho-O-S-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Ho-O-S-Si +mp-6757,Ho4Si2S3O7,-8.0249627578,-3.2614351254,0.0217520212,0.0217520212,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Ho-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Ho-O-S-Si +mp-1217369,V4Zn3Cu3O22,-6.2512475881,-1.2125092516,0.352981841,0.352981841,GGA+U,P-1,A3B22C4D3_aP32_2_acg_11i_2i_bdf:Cu-O-V-Zn,32.0,"Invalid WP multiplicities - A3B22C4D3_aP32_2_acg_19i_3i_bdf:Cu-O-V-Zn, expected V6Zn3Cu3O38 to be V4Zn3Cu3O22" +mp-1041392,V2Zn(CuO4)2,-6.970330349,-1.8011396737,0.0288480535,0.0288480535,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-V-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-V-Zn, expected V5Zn(Cu3O13)2 to be V2Zn(CuO4)2" +mp-1043184,V4Zn(CuO4)3,-7.3039013275,-1.8412387058,0.1096184835,0.1096184835,GGA+U,R-3,A3B12C4D_hR60_148_d_2f_ae_b:Cu-O-V-Zn,20.0,"Invalid WP multiplicities - A3B12C4D_hR60_148_d_5f_a2e_b:Cu-O-V-Zn, expected V7Zn(CuO10)3 to be V4Zn(CuO4)3" +mp-1216485,V4ZnCu3O14,-7.3131368127,-1.8973809101,0.0037293094,0.0037293094,GGA+U,P1,A3B14C4D_aP22_1_3a_14a_4a_a:Cu-O-V-Zn,22.0,A3B14C4D_aP22_1_3a_14a_4a_a:Cu-O-V-Zn +mp-1216520,V2ZnCuO7,-7.2724817582,-1.9857923583,0.0053874848,0.0053874848,GGA+U,C2,AB7C2D_mC44_5_c_ab6c_2c_c:Cu-O-V-Zn,22.0,AB7C2D_mC44_5_c_ab6c_2c_c:Cu-O-V-Zn +mp-1041735,V2ZnCuO7,-7.2580120906,-1.9713226907,0.0198571523,0.0198571523,GGA+U,P2/c,AB7C2D_mP66_13_eg_f10g_3g_eg:Cu-O-V-Zn,66.0,"Invalid WP multiplicities - AB7C2D_mP66_13_2e3g_2f38g_9g_2e3g:Cu-O-V-Zn, expected V9Zn4Cu4O39 to be V2ZnCuO7" +mp-726091,IBrNCl,-2.2914831406,1.0113734256,1.3894042644,1.3894042644,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Br-Cl-I-N,16.0,ABCD_oP16_62_c_c_c_c:Br-Cl-I-N +mp-7950,ThSeO,-8.5901395383,-3.304653392,0.0,-0.0978482621,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-Se-Th,6.0,ABC_tP6_129_a_c_c:O-Se-Th +mp-1208260,Th2Se2O,-6.3992638280000005,-1.0460181947,1.650930321,1.650930321,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:O-Se-Th,5.0,AB2C2_tP5_123_a_g_g:O-Se-Th +mp-560863,ThSe2O7,-7.056464647,-2.1532144286,0.0,-0.0743885736,GGA,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-Se-Th,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_25e_5e_e:O-Se-Th, expected Th(SeO5)5 to be ThSe2O7" +mp-1202658,ThV2SeO9,-8.2223759885,-2.5610082755,0.0163460461,0.0163460461,GGA+U,Pbcm,A9BCD2_oP52_57_c4d2e_d_d_cd:O-Se-Th-V,52.0,A9BCD2_oP52_57_c4d2e_d_d_cd:O-Se-Th-V +mp-1195373,Th(Se2O5)2,-6.5825702588,-1.8582775073,0.0,-0.010396896,GGA,Pbca,A10B4C_oP120_61_10c_4c_c:O-Se-Th,120.0,A10B4C_oP120_61_10c_4c_c:O-Se-Th +mp-1195308,Th3Se3O16,-7.407937085,-2.322649423,0.0390364447,0.0390364447,GGA,I4/m,A16B3C3_tI88_87_2h3i_dh_eh:O-Se-Th,44.0,A16B3C3_tI88_87_2h3i_dh_eh:O-Se-Th +mp-1195659,Th(SeO3)2,-7.2082302247,-2.3098065055,0.0,-0.0331355212,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:O-Se-Th,36.0,A6B2C_mP36_14_6e_2e_e:O-Se-Th +mp-1195570,Th(SeO3)2,-7.1974436289,-2.2990199097,0.0107865958,-0.0223489254,GGA,Pna2_1,A6B2C_oP36_33_6a_2a_a:O-Se-Th,36.0,A6B2C_oP36_33_6a_2a_a:O-Se-Th +mp-1110962,K2NaPrI6,-3.332079078,-1.6156363738,0.0783345078,0.0783345078,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Pr,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Pr +mp-1112282,K2AgIrF6,-4.687723578,-2.1516573898,0.0774418483,0.0774418483,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Ir-K +mp-1208146,VN3Cl5,-4.3827011278,0.4324182217,1.4150603533,1.4150603533,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Cl-N-V,36.0,A5B3C_oP36_62_3cd_cd_c:Cl-N-V +mp-1195122,V3(SbCl12)2,-4.1564798197,-1.4021832497,0.0,-0.0302875056,GGA,P4_2/mbc,A24B2C3_tP116_135_4h4i_h_bg:Cl-Sb-V,116.0,A24B2C3_tP116_135_4h4i_h_bg:Cl-Sb-V +mp-651728,VSb2NCl14,-4.0164685568,-1.1521398504,0.08564276,0.08564276,GGA,P2_1/c,A14BC2D_mP72_14_14e_e_2e_e:Cl-N-Sb-V,72.0,"Invalid WP multiplicities - A14BC2D_mP72_14_54e_e_3e_e:Cl-N-Sb-V, expected VSb3NCl54 to be VSb2NCl14" +mp-1205732,VNCl3,-4.923871004,-0.330668809,1.0321606414,1.0321606414,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-N-V,10.0,A3BC_hP10_194_h_c_a:Cl-N-V +mp-688151,V(NCl3)2,-3.8821102444,0.2121248533,1.194766985,1.194766985,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-V,9.0,A6B2C_cF36_225_e_c_a:Cl-N-V +mp-27868,VNCl4,-5.2869142658,-1.1511563267,0.2139851679,0.2139851679,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-N-V,12.0,A4BC_aP12_2_4i_i_i:Cl-N-V +mp-1207995,TlCdN3,-3.767095862,1.8919076743,1.8919076743,1.8919076743,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-N-Tl,5.0,AB3C_cP5_221_b_c_a:Cd-N-Tl +mp-11018,TlCd(NO2)3,-6.1088423955,-0.8383742183,0.0873554992,0.0873554992,GGA,R3,AB3C6D_hR33_146_a_b_2b_a:Cd-N-O-Tl,11.0,"Invalid WP multiplicities - AB3C6D_hR33_146_a_b_3b_a:Cd-N-O-Tl, expected TlCd(NO3)3 to be TlCd(NO2)3" +mp-22043,TlCd(NO2)3,-5.105921,0.1645471772,1.0902768947,1.0902768947,GGA,Pm-3,AB3C6D_cP11_200_b_c_f_a:Cd-N-O-Tl,11.0,AB3C6D_cP11_200_b_c_f_a:Cd-N-O-Tl +mp-647556,Tl8(CdN14)3,-6.9267481928,0.088395228,0.088395228,0.088395228,GGA,P-1,A3B42C8_aP53_2_ai_21i_4i:Cd-N-Tl,53.0,"Invalid WP multiplicities - A3B42C8_aP53_2_ai_40i_8i:Cd-N-Tl, expected Tl16Cd3N80 to be Tl8(CdN14)3" +mp-1112333,K2TlAuI6,-2.5999451110000003,-0.9301929969,0.094231981,0.094231981,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Tl +mp-1213513,GdSe2NO11,-6.340171829,-0.7523040994,0.5761589732,0.5761589732,GGA,P-1,ABC11D2_aP30_2_i_i_11i_2i:Gd-N-O-Se,30.0,ABC11D2_aP30_2_i_i_11i_2i:Gd-N-O-Se +mp-1193201,Gd3Se3N,-10.8262342075,-2.1044347678,0.0,-0.0471807521,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Gd-N-Se,28.0,A3BC3_oP28_62_3c_c_3c:Gd-N-Se +mp-1104036,Gd3Se2NO,-11.47296495,-2.5439116198,0.0,-0.0131898898,GGA,C2/m,A3BCD2_mC28_12_3i_i_i_2i:Gd-N-O-Se,14.0,A3BCD2_mC28_12_3i_i_i_2i:Gd-N-O-Se +mp-1207846,Y2PdO4,-8.0878488564,-2.6736233019,0.3893682049,0.3893682049,GGA,Fd-3m,A4BC2_cF56_227_e_a_d:O-Pd-Y,14.0,A4BC2_tI28_141_h_a_d:O-Pd-Y +mp-1209918,NaY(Pd3O4)2,-6.3395246856,-1.4369123758,0.0,-0.0293830566,GGA,Pm-3,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Y,16.0,AB8C6D_cP16_200_a_i_f_b:Na-O-Pd-Y +mp-15053,Y(PdO2)2,-7.2140723443,-1.9836452617,0.0,-0.0703368779,GGA,I4_1/a,A4B2C_tI28_88_f_c_b:O-Pd-Y,14.0,A4B2C_tI28_88_f_c_b:O-Pd-Y +mp-642807,TbH2Br,-4.5652501988,-1.3220385688,0.0,-0.0640002236,GGA,R-3m,AB2C_hR24_166_c_2c_c:Br-H-Tb,8.0,AB2C_hR24_166_c_2c_c:Br-H-Tb +mp-1217606,TbH18(BrO6)3,-5.1877232646,-1.2026503471,0.0,-0.0420485246,GGA,P6_3mc,A3B18C18D_hP80_186_c_3d_4cd_b:Br-H-O-Tb,80.0,"Invalid WP multiplicities - A3B18C18D_hP80_186_c_5d_6cd_b:Br-H-O-Tb, expected TbH30(BrO8)3 to be TbH18(BrO6)3" +mp-1190534,NbBr4NO,-4.7869950414,-0.558909042,0.7775050433,0.7775050433,GGA,C2/m,A4BCD_mC42_12_gi2j_ah_bi_ci:Br-N-Nb-O,21.0,A4BCD_mC42_12_gi2j_ah_bi_ci:Br-N-Nb-O +mp-1079379,Nb(Br3N)2,-3.8510528111,0.1592210633,1.0846287349,1.0846287349,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Nb,9.0,A6B2C_cF36_225_e_c_a:Br-N-Nb +mp-1202214,Nb3Br7N2O5,-5.9778189671,-1.1200809179,0.6405254585,0.6405254585,GGA,C2/c,A7B2C3D5_mC68_15_e3f_f_ef_a2f:Br-N-Nb-O,34.0,A7B2C3D5_mC68_15_e3f_f_ef_c2f:Br-N-Nb-O +mp-731306,NbBr5N2,-3.8877042169,0.4297253506,1.4708089811,1.4708089811,GGA,P4/mnc,A5B2C_tP32_128_ei_abd_e:Br-N-Nb,32.0,A5B2C_tP32_128_ei_abd_e:Br-N-Nb +mp-28289,SiH3F,-4.4490883065,-0.94609328,0.0205787983,0.0205787983,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:F-H-Si,20.0,AB3C_mP20_14_e_3e_e:F-H-Si +mp-1208705,SrSiH2F6,-5.0809179997,-2.5440042619,0.4630008932,0.4630008932,GGA,P2_1/c,A6B2CD_mP40_14_6e_2e_e_e:F-H-Si-Sr,40.0,A6B2CD_mP40_14_6e_2e_e_e:F-H-Si-Sr +mp-1199437,Cd2Sb5O2F31,-4.5699344661,-2.2789341878,0.070344402,0.070344402,GGA,P2_1/c,A2B31C2D5_mP80_14_e_a15e_e_c2e:Cd-F-O-Sb,80.0,A2B31C2D5_mP80_14_e_a15e_e_c2e:Cd-F-O-Sb +mp-28855,Cd4OF6,-4.1261215814,-2.2982014399,0.0,-0.0202808159,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:Cd-F-O,22.0,A4B6C_tP22_137_g_df_a:Cd-F-O +mp-1198900,CdSb5OF28,-4.7376543544,-2.4509116184,0.0,-0.0095245434,GGA,P2_1/c,AB28CD5_mP140_14_e_28e_e_5e:Cd-F-O-Sb,140.0,AB28CD5_mP140_14_e_28e_e_5e:Cd-F-O-Sb +mp-1103715,CdOF,-4.0503615558,-1.4566757429,0.2511912947,0.2511912947,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:Cd-F-O,12.0,ABC_oP12_19_a_a_a:Cd-F-O +mp-2218742,MgW2(SCl4)2,-5.2354885631,-1.3448936766,0.1870398223,0.1870398223,GGA,P1,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W +mp-2218594,MgW2(SCl4)2,-5.2405668338,-1.3499719474,0.1819615515,0.1819615515,GGA,P1,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W +mp-2218459,MgW2(SCl4)2,-5.2483946262,-1.3577997397,0.1741337592,0.1741337592,GGA,P1,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-S-W +mp-1213681,CsDy(WO4)2,-8.5643030858,-2.6483064723,0.0,-0.0164854058,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Dy-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Dy-O-W +mp-1216543,Tl3V(SeS)2,-4.7511927788,-0.8216230039,0.0010911381,0.0010911381,GGA,Fmm2,A2B2C3D_oF32_42_c_d_ab_a:S-Se-Tl-V,8.0,A2B2C3D_oF32_42_c_d_ab_a:S-Se-Tl-V +mp-3613,NaErS2,-5.6405130225,-2.0997270632,0.0,-0.1588990215,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Na-S,4.0,ABC2_hR12_166_a_b_c:Er-Na-S +mp-12384,NaEr(PS3)2,-5.3593206705,-1.2057658387,0.0,-0.0290840907,GGA,P-1,ABC2D6_aP20_2_i_i_2i_6i:Er-Na-P-S,20.0,"Invalid WP multiplicities - ABC2D6_aP20_2_i_i_2i_11i:Er-Na-P-S, expected NaErP2S11 to be NaEr(PS3)2" +mp-1204180,MgRe3S4O11,-6.3147785847,-0.5309240112,1.4095294455,1.4095294455,GGA,P-1,AB11C3D4_aP38_2_i_11i_3i_4i:Mg-O-Re-S,38.0,AB11C3D4_aP38_2_i_11i_3i_4i:Mg-O-Re-S +mp-1226823,CdFe(PS3)2,-5.106538947,-0.6027174285,0.0929198394,0.0929198394,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Cd-Fe-P-S,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Cd-Fe-P-S, expected CdFe(PS4)2 to be CdFe(PS3)2" +mp-5328,CdPS3,-4.456263506,-0.7071551325000001,0.0,-0.0483672433,GGA,C2/m,ABC3_mC20_12_g_i_ij:Cd-P-S,10.0,"Invalid WP multiplicities - ABC3_mC20_12_g_i_i2j:Cd-P-S, expected CdPS5 to be CdPS3" +mp-9330,CdPS3,-4.456015427,-0.7069070535,0.000248079,-0.0481191643,GGA,R-3,ABC3_hR30_148_c_c_f:Cd-P-S,10.0,ABC3_hR30_148_c_c_f:Cd-P-S +mp-1208096,TlBi(WO4)2,-7.9592495058,-1.9848409703,0.0,-0.0192844062,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Bi-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Bi-O-Tl-W +mp-2232384,MgHg4(WO4)2,-6.0365662633,-1.4829148193,0.2216006097,0.2216006097,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Hg-Mg-O-W,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Hg-Mg-O-W +mp-2232580,MgHg4(WO4)2,-6.0881806033,-1.5345291593,0.1699862697,0.1699862697,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Hg-Mg-O-W,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Hg-Mg-O-W +mp-757196,Hg2W2O7,-7.236225395,-1.6770942887,0.0434260524,0.0434260524,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Hg-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Hg-O-W, expected Hg3W3O13 to be Hg2W2O7" +mp-772206,Hg2W2O7,-7.2710043145,-1.7118732083,0.0086471328,0.0086471328,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Hg-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Hg-O-W, expected Hg3W3O13 to be Hg2W2O7" +mp-754961,Hg2W2O7,-7.2721070464,-1.7129759401,0.007544401,0.007544401,GGA+U,P2/c,A2B7C2_mP22_13_g_e3g_g:Hg-O-W,22.0,"Invalid WP multiplicities - A2B7C2_mP22_13_g_2e11g_g:Hg-O-W, expected HgWO12 to be Hg2W2O7" +mp-1370044,Hg2W2O7,-2.6795343536000003,2.8795967526,4.6001170937,4.6001170937,GGA+U,P-1,A2B7C2_aP22_2_2i_7i_2i:Hg-O-W,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_3i_13i_3i:Hg-O-W, expected Hg3W3O13 to be Hg2W2O7" +mp-774407,Hg2W2O7,-7.270790489999999,-1.7116593837,0.0088609574,0.0088609574,GGA+U,C2/c,A2B7C2_mC88_15_2f_2e6f_2f:Hg-O-W,44.0,"Invalid WP multiplicities - A2B7C2_mC88_15_5f_4e23f_3f:Hg-O-W, expected Hg5W3O25 to be Hg2W2O7" +mp-2220018,MgHg2(WO4)2,-6.9521625538,-1.7446694054,0.2220791665,0.2220791665,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_ab:Hg-Mg-O-W,13.0,A2BC8D2_mC26_5_c_a_4c_ab:Hg-Mg-O-W +mp-29894,Hg2WO4,-6.21581575,-1.4512092064,0.0,-0.014058187,GGA+U,C2/c,A2B4C_mC28_15_f_2f_e:Hg-O-W,14.0,A2B4C_mC28_15_f_2f_e:Hg-O-W +mp-2216880,MgHg8(W2O7)4,-7.1853173427,-1.7141607043,0.0848103524,0.0848103524,GGA+U,P1,A8BC28D8_aP45_1_8a_a_28a_8a:Hg-Mg-O-W,45.0,A8BC28D8_aP45_1_8a_a_28a_8a:Hg-Mg-O-W +mp-2216938,MgHg8(W2O7)4,-7.2152774831,-1.7441208448,0.054850212,0.054850212,GGA+U,P-1,A8BC28D8_aP45_2_4i_a_14i_4i:Hg-Mg-O-W,45.0,"Invalid WP multiplicities - A8BC28D8_aP45_2_7i_a_27i_7i:Hg-Mg-O-W, expected MgHg14(W7O27)2 to be MgHg8(W2O7)4" +mp-1202359,HgWO4,-7.0767881917,-1.5686939517,0.1054124215,0.1054124215,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Hg-O-W,48.0,AB4C_mP48_14_2e_8e_2e:Hg-O-W +mp-19132,HgWO4,-7.1578845858,-1.6497903458,0.0243160273,0.0243160273,GGA+U,C2/c,AB4C_mC24_15_c_2f_e:Hg-O-W,12.0,AB4C_mC24_15_a_2f_e:Hg-O-W +mp-1191753,HgWO4,-6.9181207163,-1.4100264762,0.2640798969,0.2640798969,GGA+U,Cmce,AB4C_oC48_64_e_de2f_f:Hg-O-W,24.0,AB4C_oC48_64_e_de2f_f:Hg-O-W +mp-1224363,HfNb4CN4,-10.348589981,-1.0548845427,0.1800370723,0.1800370723,GGA,I4/mmm,ABC4D4_tI20_139_a_b_2e_2e:C-Hf-N-Nb,10.0,"Invalid WP multiplicities - ABC4D4_tI20_139_a_b_3e_3e:C-Hf-N-Nb, expected HfNb6CN6 to be HfNb4CN4" +mp-1224419,HfNbN2,-10.7161241625,-1.5332531825,0.05511431,0.05511431,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-Nb,4.0,AB2C_hR12_166_a_c_b:Hf-N-Nb +mp-1245481,Nb2(CN2)3,-9.2144377145,-0.3137489775,0.1691989965,0.1691989965,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:C-N-Nb,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2e2f_12f_f:C-N-Nb, expected Nb(CN4)3 to be Nb2(CN2)3" +mp-1245761,Nb2(CN2)3,-8.4113524018,0.4893363352,0.9722843092,0.9722843092,GGA,R32,A3B6C2_hR33_155_d_f_c:C-N-Nb,11.0,A3B6C2_hR33_155_d_f_c:C-N-Nb +mp-1224334,HfNbC2,-10.355445905,-0.7264896412,0.0,-0.0074451066,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Hf-Nb,4.0,A2BC_hR12_166_c_a_b:C-Hf-Nb +mp-1220725,Nb2CN,-10.24022621,-0.7982835856,0.0754238634,0.0754238634,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-Nb,4.0,ABC2_hR12_166_a_b_c:C-N-Nb +mp-1224340,HfNbCN,-10.5663102325,-1.1603966106,0.0534773484,0.0534773484,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Hf-N-Nb,4.0,ABCD_hR12_160_a_a_a_a:C-Hf-N-Nb +mp-1247322,Nb(C2N3)3,-8.6949207716,0.0864387484,0.2524521145,0.2524521145,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Nb,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Nb +mp-20938,RbIn5S8,-4.3558431136,-0.939375138,0.0002289368,0.0002289368,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:In-Rb-S,14.0,"Invalid WP multiplicities - A5BC8_mC28_12_a3i_c_5i:In-Rb-S, expected RbIn7S10 to be RbIn5S8" +mp-1204523,Rb6InP3S14,-4.5365679667,-1.0871890574,0.0,-0.0301837052,GGA,C2/c,AB3C6D14_mC96_15_e_ef_3f_7f:In-P-Rb-S,48.0,AB3C6D14_mC96_15_e_ef_3f_7f:In-P-Rb-S +mp-541766,Rb3InP2,-3.0735289338,-0.3202137736,0.0,-0.040464625,GGA,P-1,AB2C3_aP48_2_4i_8i_12i:In-P-Rb,48.0,"Invalid WP multiplicities - AB2C3_aP48_2_8i_15i_24i:In-P-Rb, expected Rb24In8P15 to be Rb3InP2" +mp-22303,Rb3InS3,-3.8444905021,-1.2583997096,0.0,-0.0419657264,GGA,C2/m,AB3C3_mC28_12_i_ghi_ij:In-Rb-S,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2g2h2i_i2j:In-Rb-S, expected Rb6InS5 to be Rb3InS3" +mp-27670,Rb4In2S5,-3.96860261,-1.2315341478,0.0040430998,0.0040430998,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:In-Rb-S,22.0,"Invalid WP multiplicities - A2B4C5_aP22_2_3i_6i_8i:In-Rb-S, expected Rb6In3S8 to be Rb4In2S5" +mp-542654,RbIn3S5,-4.3220262419,-0.9978223978,0.0,-0.0014999706,GGA,P2/m,A3BC5_mP27_10_c2m2n_bm_d3m4n:In-Rb-S,27.0,A3BC5_mP27_10_a2m2n_fm_d3m4n:In-Rb-S +mp-601861,RbInS2,-4.1969173231,-1.1956379391,0.0,-0.0692740788,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:In-Rb-S,32.0,"Invalid WP multiplicities - ABC2_mC64_15_4f_5f_4e10f:In-Rb-S, expected Rb5(InS3)4 to be RbInS2" +mp-1196534,Mn5Fe2BC2,-8.872478577,-0.0837944134,0.0708671667,0.0708671667,GGA,Pnma,AB2C2D5_oP40_62_c_d_2c_c2d:B-C-Fe-Mn,40.0,AB2C2D5_oP40_62_c_d_2c_c2d:B-C-Fe-Mn +mp-1222165,Mn23(BC2)2,-9.1399463869,-0.139953379,0.004885529,0.004885529,GGA,Imm2,A2B4C23_oI58_44_c_cd_3ac3d3e:B-C-Mn,29.0,"Invalid WP multiplicities - A2B4C23_oI58_44_c_c2d_3a2c5d8e:B-C-Mn, expected Mn49(BC3)2 to be Mn23(BC2)2" +mp-1222106,Mn23(BC)3,-9.0740996955,-0.162012678,0.0082077071,0.0082077071,GGA,R3m,A3B3C23_hR87_160_b_b_5a4bc:B-C-Mn,29.0,"Invalid WP multiplicities - A3B3C23_hR87_160_b_b_5a6b4c:B-C-Mn, expected Mn47(BC)3 to be Mn23(BC)3" +mp-849311,MgSb2H2F14,-4.9387224664,-2.6542782472,0.0,-0.0409042039,GGA,Pnma,A14B2CD2_oP76_62_4c5d_d_c_ac:F-H-Mg-Sb,76.0,"Invalid WP multiplicities - A14B2CD2_oP76_62_14c19d_d_c_2a2c:F-H-Mg-Sb, expected MgSb4H2F52 to be MgSb2H2F14" +mp-20643,Y2Ru2O7,-8.5803312305,-2.5704613863,0.0304002349,0.0304002349,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Ru-Y,22.0,A7B2C2_cF88_227_af_d_c:O-Ru-Y +mp-1207752,Y2NiRuO6,-8.401806338,-2.6350449666,0.0320940779,0.0320940779,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ni-O-Ru-Y,20.0,AB6CD2_mP20_14_a_3e_b_e:Ni-O-Ru-Y +mp-1216057,Y2NiRu3,-8.1050015483,-0.3489537939,0.0,-0.0074474958,GGA,R-3m,AB3C2_hR18_166_a_d_c:Ni-Ru-Y,6.0,AB3C2_hR18_166_a_d_c:Ni-Ru-Y +mp-865641,Y2NiRu,-7.3580525925,-0.3611822308,0.0161098409,0.0161098409,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ni-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Ni-Ru-Y +mp-1206901,Sr2SmUO6,-8.407477413,-3.5005658811,0.1446667573,0.1446667573,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-U,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-U +mp-555068,Sr9LuV7O28,-8.0069429937,-3.077587038,0.0,-0.0325967454,GGA+U,R3c,AB28C9D7_hR270_161_a_a9b_3b_a2b:Lu-O-Sr-V,90.0,"Invalid WP multiplicities - AB28C9D7_hR270_161_a_2a52b_12b_2a9b:Lu-O-Sr-V, expected Sr36LuV29O158 to be Sr9LuV7O28" +mp-20014,AlVMoO7,-8.291184986,-2.4609896871,0.0,-0.004370861,GGA+U,Pnma,ABC7D_oP40_62_c_c_3c2d_c:Al-Mo-O-V,40.0,ABC7D_oP40_62_c_c_3c2d_c:Al-Mo-O-V +mp-559128,CaTeCO5,-7.1300860272,-2.2412091744,0.000104433,0.000104433,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:C-Ca-O-Te,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_34c_c:C-Ca-O-Te, expected CaTeCO34 to be CaTeCO5" +mp-557876,V2Cu3(Bi2O7)2,-6.7189212826,-1.7153982118000002,0.0219863677,0.0219863677,GGA+U,P-1,A4B3C14D2_aP23_2_2i_ai_7i_i:Bi-Cu-O-V,23.0,A4B3C14D2_aP23_2_2i_ai_7i_i:Bi-Cu-O-V +mp-554393,VCu2BiO6,-6.6845085633,-1.6042144826,0.0692490342,0.0692490342,GGA+U,C2/m,AB2C6D_mC120_12_3i_3j_gh6i5j_3i:Bi-Cu-O-V,60.0,"Invalid WP multiplicities - AB2C6D_mC120_12_5i_11j_2g2h12i18j_4i:Bi-Cu-O-V, expected V4Cu22Bi5O52 to be VCu2BiO6" +mp-699707,VCu2BiO6,-6.6852399654,-1.6049458847,0.0685176321,0.0685176321,GGA+U,P2_1/c,AB2C6D_mP120_14_3e_6e_18e_3e:Bi-Cu-O-V,120.0,"Invalid WP multiplicities - AB2C6D_mP120_14_7e_20e_70e_10e:Bi-Cu-O-V, expected V10Cu20(BiO10)7 to be VCu2BiO6" +mp-1191650,VCuBi2O7,-6.7679634109,-1.7233350492,0.032463503,0.032463503,GGA+U,P-1,A2BC7D_aP22_2_2i_ac_7i_i:Bi-Cu-O-V,22.0,A2BC7D_aP22_2_2i_ac_7i_i:Bi-Cu-O-V +mp-1216874,V2Cu2BiO8,-7.0197432092,-1.6520336477000002,0.2078130331,0.2078130331,GGA+U,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Bi-Cu-O-V,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Bi-Cu-O-V +mp-1212242,HoBeNF6,-5.86886374,-2.743620355,0.4251647638,0.4251647638,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Ho-N,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-Ho-N +mp-1110950,K2NdAgI6,-3.266702,-1.400532057,0.090553928,0.090553928,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Nd +mp-1214298,BaVCdF7,-5.8340462447,-3.3034338905,0.0,-0.0212028048,GGA+U,C2/c,ABC7D_mC80_15_f_ae_7f_f:Ba-Cd-F-V,40.0,ABC7D_mC80_15_f_ce_7f_f:Ba-Cd-F-V +mp-1111665,K2LiRhF6,-4.964962658,-2.6686724144,0.0,-0.0463972053,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Rh,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Rh +mp-1111786,Rb2YAuI6,-3.403616337,-1.3494544012,0.1058494927,0.1058494927,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-Rb-Y +mp-1211352,KYbBeF6,-5.4013436372,-3.4170887598,0.0,-0.0039478183,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Yb,,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Yb +mp-569050,NaW6NCl18,-5.9658940258,-1.3242993535,0.0,-0.0195421798,GGA,P6_3/m,A18BCD6_hP52_176_2h2i_c_b_i:Cl-N-Na-W,52.0,"Invalid WP multiplicities - A18BCD6_hP52_176_11h13i_c_b_i:Cl-N-Na-W, expected NaW6NCl111 to be NaW6NCl18" +mp-1111368,K2TlRhF6,-4.719359177,-2.3776969054,0.0047510674,0.0047510674,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rh-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rh-Tl +mp-1186388,NpZn,-6.9271005,0.1766611456,0.1766611456,0.1766611456,GGA,P-6m2,AB_hP2_187_a_d:Np-Zn,2.0,AB_hP2_187_a_d:Np-Zn +mp-1210186,NpZn(OF2)3,-5.8429255159,-2.1596106768,0.4313259413,0.4313259413,GGA,C2,A6BC3D_mC44_5_6c_ab_ab2c_c:F-Np-O-Zn,22.0,A6BC3D_mC44_5_6c_ab_ab2c_c:F-Np-O-Zn +mp-1111679,K2YInCl6,-4.428721813,-2.1757045433,0.0787861271,0.0787861271,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-In-K-Y +mp-1183021,Al11(PO4)12,-7.8178195848,-2.9783544813,0.0517912983,0.0517912983,GGA,R-3c,A11B48C12_hR426_167_cef_8f_2f:Al-O-P,142.0,A11B48C12_hR426_167_cef_8f_2f:Al-O-P +mp-1204888,AlPO6,-6.6392056075,-1.784329282,0.5569073141,0.5569073141,GGA,P1,AB6C_aP48_1_6a_36a_6a:Al-O-P,48.0,AB6C_aP48_1_6a_36a_6a:Al-O-P +mp-1202156,AlPO6,-6.7139605091,-1.8590841835,0.4821524125,0.4821524125,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Al-O-P,32.0,AB6C_mP32_14_e_6e_e:Al-O-P +mp-1214957,AlPO6,-6.7023559933,-1.8474796678,0.4937569283,0.4937569283,GGA,Pbca,AB6C_oP64_61_c_6c_c:Al-O-P,64.0,AB6C_oP64_61_c_6c_c:Al-O-P +mp-1204519,Al2PO8,-6.8176585891,-2.0469346021,0.4594177901,0.4594177901,GGA,Pna2_1,A2B8C_oP44_33_2a_8a_a:Al-O-P,44.0,A2B8C_oP44_33_2a_8a_a:Al-O-P +mp-1193321,AlPO5,-7.2164571221,-2.3746968517,0.3010021152,0.3010021152,GGA,C2/c,AB5C_mC56_15_ae_5f_f:Al-O-P,28.0,AB5C_mC56_15_ce_5f_f:Al-O-P +mp-1193181,AlP2O11,-6.22868022,-1.3011261724,0.6875468753,0.6875468753,GGA,R3,AB11C2_hR84_146_2a_a7b_ab:Al-O-P,28.0,AB11C2_hR84_146_2a_a7b_ab:Al-O-P +mp-685291,AlPO4,-7.6664287465,-2.8421565496000003,0.2794922451,0.1628170331,GGA,P1,AB4C_aP72_1_12a_48a_12a:Al-O-P,72.0,AB4C_aP72_1_12a_48a_12a:Al-O-P +mp-686615,AlPO4,-7.5023024575,-2.6780302606,0.4436185342,0.3269433221,GGA,P1,AB4C_aP108_1_18a_72a_18a:Al-O-P,108.0,AB4C_aP108_1_18a_72a_18a:Al-O-P +mp-1019511,AlPO4,-7.9208966046,-3.0966244076,0.0250243871,-0.091650825,GGA,P-1,AB4C_aP48_2_4i_16i_4i:Al-O-P,48.0,AB4C_aP48_2_4i_16i_4i:Al-O-P +mp-1019514,AlPO4,-7.8626239414,-3.0383517444,0.0832970503,-0.0333781618,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Al-O-P,36.0,AB4C_aP36_2_3i_12i_3i:Al-O-P +mp-707977,AlPO4,-7.9355696594,-3.1112974625,0.0103513322,-0.1063238799,GGA,P-1,AB4C_aP36_2_3i_12i_3i:Al-O-P,36.0,AB4C_aP36_2_3i_12i_3i:Al-O-P +mp-680424,AlPO4,-7.1688905225,-2.3446183256,0.7770304692000001,0.6603552571,GGA,P-1,AB4C_aP48_2_4i_16i_4i:Al-O-P,48.0,"Invalid WP multiplicities - AB4C_aP48_2_4i_31i_7i:Al-O-P, expected Al4P7O31 to be AlPO4" +mp-1183022,AlPO4,-6.8165879029,-1.992315706,1.1293330888,1.0126578767,GGA,P-1,AB4C_aP48_2_4i_16i_4i:Al-O-P,48.0,"Invalid WP multiplicities - AB4C_aP48_2_6i_32i_8i:Al-O-P, expected Al3(PO4)4 to be AlPO4" +mp-5724,AlPO4,-7.94281514,-3.1185429431,0.0031058517,-0.1135693604,GGA,P2_1,AB4C_mP12_4_a_4a_a:Al-O-P,12.0,AB4C_mP12_4_a_4a_a:Al-O-P +mp-558056,AlPO4,-7.9352572863,-3.1109850894,0.0106637053,-0.1060115068,GGA,P2_1,AB4C_mP60_4_5a_20a_5a:Al-O-P,60.0,"Invalid WP multiplicities - AB4C_mP60_4_8a_38a_9a:Al-O-P, expected Al8P9O38 to be AlPO4" +mp-557915,AlPO4,-7.9386199983,-3.1143478014,0.0073009933,-0.1093742188,GGA,C2,AB4C_mC72_5_3c_12c_3c:Al-O-P,36.0,"Invalid WP multiplicities - AB4C_mC72_5_4c_24c_5c:Al-O-P, expected Al4P5O24 to be AlPO4" +mp-558088,AlPO4,-7.9205059205,-3.0962337235,0.0254150712,-0.0912601409,GGA,Cm,AB4C_mC216_8_2a8b_4a34b_2a8b:Al-O-P,108.0,"Invalid WP multiplicities - AB4C_mC216_8_2a16b_4a67b_2a15b:Al-O-P, expected Al17P16O69 to be AlPO4" +mp-1199762,AlPO4,-7.9154952431,-3.0912230462,0.0304257485,-0.0862494636,GGA,Cm,AB4C_mC432_8_4a16b_8a68b_4a16b:Al-O-P,216.0,AB4C_mC432_8_4a16b_8a68b_4a16b:Al-O-P +mp-1205474,AlPO4,-6.9324423547,-2.1081701578,1.0134786369,0.8968034249,GGA,P2/m,AB4C_mP72_10_i3mo_6m9o_j3mo:Al-O-P,72.0,AB4C_mP72_10_i3mo_6m9o_l3mo:Al-O-P +mp-557757,AlPO4,-7.9304108478,-3.1061386508,0.0155101439,-0.1011650682,GGA,C2/m,AB4C_mC144_12_g3ij_6i9j_h3ij:Al-O-P,72.0,"Invalid WP multiplicities - AB4C_mC144_12_2g6i4j_12i35j_2h6i3j:Al-O-P, expected Al8P7O41 to be AlPO4" +mp-1019513,AlPO4,-7.9335275225,-3.1092553256,0.0123934692,-0.1042817429,GGA,P2/c,AB4C_mP36_13_eg_6g_fg:Al-O-P,36.0,AB4C_mP36_13_eg_6g_fg:Al-O-P +mp-1019512,AlPO4,-7.8608966571,-3.0366244601,0.0850243346,-0.0316508775,GGA,P2_1/c,AB4C_mP72_14_3e_12e_3e:Al-O-P,72.0,AB4C_mP72_14_3e_12e_3e:Al-O-P +mp-554185,AlPO4,-7.931679274,-3.107407077,0.0142417177,-0.1024334944,GGA,C2/c,AB4C_mC192_15_4f_16f_4f:Al-O-P,96.0,"Invalid WP multiplicities - AB4C_mC192_15_12f_62f_16f:Al-O-P, expected Al6P8O31 to be AlPO4" +mp-541338,AlPO4,-7.9339980683,-3.1097258714,0.0119229233,-0.1047522888,GGA,C2/c,AB4C_mC144_15_3f_12f_3f:Al-O-P,72.0,AB4C_mC144_15_3f_12f_3f:Al-O-P +mp-4051,AlPO4,-7.9434559242,-3.1191837272,0.0024650675,-0.1142101446,GGA,C222_1,AB4C_oC24_20_a_2c_b:Al-O-P,12.0,AB4C_oC24_20_a_2c_b:Al-O-P +mp-667363,AlPO4,-7.9317188601,-3.1074466632,0.0142021315,-0.1024730806,GGA,Pcc2,AB4C_oP144_27_6e_24e_6e:Al-O-P,144.0,"Invalid WP multiplicities - AB4C_oP144_27_22e_92e_22e:Al-O-P, expected Al11P11O46 to be AlPO4" +mp-554273,AlPO4,-7.9332905848,-3.1090183878,0.0126304069,-0.1040448052,GGA,Pca2_1,AB4C_oP96_29_4a_16a_4a:Al-O-P,96.0,"Invalid WP multiplicities - AB4C_oP96_29_14a_61a_14a:Al-O-P, expected Al14P14O61 to be AlPO4" +mp-557362,AlPO4,-7.9359607735,-3.1116885765,0.0099602182,-0.1067149939,GGA,Pnn2,AB4C_oP144_34_6c_24c_6c:Al-O-P,144.0,"Invalid WP multiplicities - AB4C_oP144_34_20c_94c_20c:Al-O-P, expected Al10P10O47 to be AlPO4" +mp-667310,AlPO4,-7.9238055225,-3.0995333256,0.0221154692,-0.0945597429,GGA,Cmc2_1,AB4C_oC216_36_a4b_2a17b_a4b:Al-O-P,108.0,"Invalid WP multiplicities - AB4C_oC216_36_2a11b_4a65b_2a15b:Al-O-P, expected Al12P16O67 to be AlPO4" +mp-675254,AlPO4,-7.9341010917,-3.1098288947,0.0118199,-0.1048553121,GGA,Aem2,AB4C_oC72_39_cd_2c5d_cd:Al-O-P,36.0,"Invalid WP multiplicities - AB4C_oC72_39_2c3d_4c18d_2c3d:Al-O-P, expected AlPO5 to be AlPO4" +mp-675771,AlPO4,-7.6165770483,-2.7923048514,0.3293439433,0.2126687312,GGA,Ama2,AB4C_oC144_40_3c_4a6b7c_3c:Al-O-P,72.0,"Invalid WP multiplicities - AB4C_oC144_40_5c_4a12b18c_5c:Al-O-P, expected Al5P5O26 to be AlPO4" +mp-1019510,AlPO4,-7.9354459951,-3.1111737982,0.0104749966,-0.1062002155,GGA,Iba2,AB4C_oI192_45_4c_16c_4c:Al-O-P,96.0,AB4C_oI192_45_4c_16c_4c:Al-O-P +mp-557842,AlPO4,-7.9345931168,-3.1103209199,0.0113278748,-0.1053473373,GGA,Ima2,AB4C_oI120_46_b2c_2b9c_b2c:Al-O-P,60.0,"Invalid WP multiplicities - AB4C_oI120_46_2b6c_4b35c_2b5c:Al-O-P, expected Al7P6O37 to be AlPO4" +mp-5440,AlPO4,-7.9339587676,-3.1096865707,0.011962224,-0.1047129881,GGA,Pbca,AB4C_oP144_61_3c_12c_3c:Al-O-P,144.0,"Invalid WP multiplicities - AB4C_oP144_61_3c_15c_3c:Al-O-P, expected AlPO5 to be AlPO4" +mp-683883,AlPO4,-7.9281655798,-3.1038933829,0.0177554118,-0.0989198003,GGA,Pbca,AB4C_oP192_61_4c_16c_4c:Al-O-P,192.0,"Invalid WP multiplicities - AB4C_oP192_61_26c_116c_24c:Al-O-P, expected Al13(P6O29)2 to be AlPO4" +mp-561027,AlPO4,-7.9339497625,-3.1096775656,0.0119712292,-0.1047039829,GGA,Pbca,AB4C_oP96_61_2c_8c_2c:Al-O-P,96.0,"Invalid WP multiplicities - AB4C_oP96_61_9c_58c_11c:Al-O-P, expected Al9P11O58 to be AlPO4" +mp-13024,AlPO4,-7.8394019233,-3.0151297264,0.1065190683,-0.0101561438,GGA,Cmcm,AB4C_oC24_63_a_fg_c:Al-O-P,12.0,AB4C_oC24_63_a_fg_c:Al-O-P +mp-603719,AlPO4,-7.5851592617,-2.7608870647,0.36076173,0.2440865179,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Al-O-P,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2g2j_c:Al-O-P, expected AlPO8 to be AlPO4" +mp-7848,AlPO4,-7.945920991699999,-3.1216487947,0.0,-0.1166752121,GGA,I-4,AB4C_tI12_82_a_g_c:Al-O-P,6.0,AB4C_tI12_82_a_g_c:Al-O-P +mp-551798,AlPO4,-5.1281146783,-0.3038424814,2.8178063133,2.7011311012,GGA,I-4m2,AB4C_tI12_119_a_i_c:Al-O-P,6.0,AB4C_tI12_119_a_i_c:Al-O-P +mp-557604,AlPO4,-7.9361784419,-3.111906245,0.0097425497,-0.1069326624,GGA,R-3,AB4C_hR108_148_f_4f_f:Al-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_148_f_18f_f:Al-O-P, expected AlPO18 to be AlPO4" +mp-555941,AlPO4,-7.9345703189,-3.1102981219,0.0113506728,-0.1053245393,GGA,R-3,AB4C_hR108_148_f_4f_f:Al-O-P,36.0,"Invalid WP multiplicities - AB4C_hR108_148_f_19f_f:Al-O-P, expected AlPO19 to be AlPO4" +mp-5331,AlPO4,-7.9367154178,-3.1124432208,0.0092055739,-0.1074696382,GGA,P3_121,AB4C_hP18_152_a_2c_b:Al-O-P,18.0,AB4C_hP18_152_a_2c_b:Al-O-P +mp-3955,AlPO4,-7.9367136294,-3.1124414325,0.0092073622,-0.1074678499,GGA,P3_221,AB4C_hP18_154_a_2c_b:Al-O-P,18.0,AB4C_hP18_154_a_2c_b:Al-O-P +mp-559145,AlPO4,-7.9330535453,-3.1087813484,0.0128674463,-0.1038077658,GGA,P-31c,AB4C_hP144_163_2i_8i_2i:Al-O-P,144.0,"Invalid WP multiplicities - AB4C_hP144_163_10i_83i_18i:Al-O-P, expected Al10P18O83 to be AlPO4" +mp-562607,AlPO4,-5.2559417006,-0.4316695036,2.6899792911,2.573304079,GGA,P6_422,AB4C_hP18_181_c_k_d:Al-O-P,18.0,AB4C_hP18_181_c_k_d:Al-O-P +mp-560151,AlPO4,-7.9332254606,-3.1089532636,0.0126955311,-0.103979681,GGA,P6_422,AB4C_hP18_181_c_k_d:Al-O-P,18.0,AB4C_hP18_181_c_k_d:Al-O-P +mp-5859,AlPO4,-7.9349679699,-3.1106957729,0.0109530218,-0.1057221903,GGA,P6cc,AB4C_hP72_184_d_4d_d:Al-O-P,72.0,"Invalid WP multiplicities - AB4C_hP72_184_d_7d_d:Al-O-P, expected AlPO7 to be AlPO4" +mp-560815,AlPO4,-7.9161949762,-3.0919227793,0.0297260155,-0.0869491966,GGA,P6_3cm,AB4C_hP108_185_cd_2c5d_cd:Al-O-P,108.0,"Invalid WP multiplicities - AB4C_hP108_185_6c6d_12c52d_6c7d:Al-O-P, expected Al9(P5O29)2 to be AlPO4" +mp-545974,AlPO4,-7.9352559217,-3.1109837247,0.01066507,-0.1060101421,GGA,P6_3mc,AB4C_hP12_186_b_bc_b:Al-O-P,12.0,"Invalid WP multiplicities - AB4C_hP12_186_b_b2c_b:Al-O-P, expected AlPO7 to be AlPO4" +mp-37990,AlPO4,-7.9317213733,-3.1074491764,0.0141996183,-0.1024755938,GGA,F-43m,AB4C_cF120_216_ae_2eh_be:Al-O-P,30.0,"Invalid WP multiplicities - AB4C_cF120_216_ae_4e5h_be:Al-O-P, expected Al5P5O76 to be AlPO4" +mp-1199889,Al3(PO8)2,-6.4596053029,-1.640064737,0.5646861717,0.5646861717,GGA,P-1,A3B16C2_aP42_2_3i_16i_2i:Al-O-P,42.0,A3B16C2_aP42_2_3i_16i_2i:Al-O-P +mp-1229262,Al3(PO8)2,-6.4242002374,-1.6046596715,0.6000912372,0.6000912372,GGA,Pnma,A3B16C2_oP84_62_cd_2c7d_d:Al-O-P,84.0,A3B16C2_oP84_62_cd_2c7d_d:Al-O-P +mp-1201085,Al2P3O13,-6.8524901533,-1.961489463,0.6258058390000001,0.6258058390000001,GGA,P2_1,A2B13C3_mP36_4_2a_13a_3a:Al-O-P,36.0,A2B13C3_mP36_4_2a_13a_3a:Al-O-P +mp-608080,Al3(PO4)4,-7.5138120201,-2.6426399811,0.1965429843,0.1965429843,GGA,P-3c1,A3B16C4_hP92_165_g_d5g_dg:Al-O-P,92.0,"Invalid WP multiplicities - A3B16C4_hP92_165_g_4d47g_3d4g:Al-O-P, expected Al3(P3O29)5 to be Al3(PO4)4" +mp-1181915,CeAl3(PO7)2,-7.474636993,-2.6121338122,0.2922513366,0.2922513366,GGA,R-3m,A3BC14D2_hR60_166_d_a_c2h_c:Al-Ce-O-P,20.0,A3BC14D2_hR60_166_d_a_c2h_c:Al-Ce-O-P +mp-540549,Al(PO3)3,-7.7837210179,-2.8217454986,0.0207893142,-0.067262896,GGA,Cc,AB9C3_mC156_9_3a_27a_9a:Al-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:Al-O-P +mp-1019377,Al(PO3)3,-7.8045103321,-2.8425348128,0.0,-0.0880522102,GGA,P2_1/c,AB9C3_mP52_14_e_9e_3e:Al-O-P,52.0,AB9C3_mP52_14_e_9e_3e:Al-O-P +mp-559996,Al(PO3)3,-7.7897525923,-2.827777073,0.0147577398,-0.0732944704,GGA,P-3c1,AB9C3_hP78_165_bd_f4g_fg:Al-O-P,78.0,"Invalid WP multiplicities - AB9C3_hP78_165_bd_6f40g_4f4g:Al-O-P, expected Al(P6O43)2 to be Al(PO3)3" +mp-14011,Al(PO3)3,-7.7946059047,-2.8326303854,0.0099044274,-0.0781477828,GGA,I-43d,AB9C3_cI208_220_c_3e_e:Al-O-P,104.0,"Invalid WP multiplicities - AB9C3_cI208_220_c_4e_e:Al-O-P, expected Al(PO4)3 to be Al(PO3)3" +mp-1203148,AlP3O10,-7.4644056659,-2.5035220614,0.1359745504,0.1359745504,GGA,P2_1/c,AB10C3_mP56_14_e_10e_3e:Al-O-P,56.0,AB10C3_mP56_14_e_10e_3e:Al-O-P +mp-1105677,Al2PO7,-7.1989520595,-2.445824545,0.3111630865,0.3111630865,GGA,C2/m,A2B7C_mC40_12_gi_3i2j_i:Al-O-P,20.0,A2B7C_mC40_12_gi_3i2j_i:Al-O-P +mp-28759,Al7(TlS4)3,-5.0344087395,-1.264210619,0.0,-0.0151137603,GGA,P2_1,A7B12C3_mP44_4_7a_12a_3a:Al-S-Tl,44.0,"Invalid WP multiplicities - A7B12C3_mP44_4_7a_15a_3a:Al-S-Tl, expected Al7(TlS5)3 to be Al7(TlS4)3" +mp-28790,Al13(TlS7)3,-5.1569848547,-1.3016912754,0.0006816082,0.0006816082,GGA,Cm,A13B21C3_mC148_8_2a12b_6a18b_6a:Al-S-Tl,74.0,A13B21C3_mC148_8_2a12b_6a18b_6a:Al-S-Tl +mp-985477,AlTlS2,-4.7362657906,-1.140986113,0.0,-0.0381095623,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:Al-S-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:Al-S-Tl +mp-1214834,AlTl(SO4)2,-6.6334528942,-2.1372338608,0.0059460995,0.0059460995,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:Al-O-S-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Al-O-S-Tl +mp-1196336,Cs2UAs2O9,-7.251990088,-2.4719436619,0.0,-0.0414332133,GGA,Pmmn,A2B2C9D_oP56_59_ef_ef_abef3g_c:As-Cs-O-U,56.0,A2B2C9D_oP56_59_ef_ef_abef3g_c:As-Cs-O-U +mp-1195078,Cs6U5(AsO7)4,-7.8936578588,-2.8012573515,0.0,-0.0134427298,GGA,P-1,A4B6C28D5_aP43_2_2i_3i_14i_a2i:As-Cs-O-U,43.0,A4B6C28D5_aP43_2_2i_3i_14i_a2i:As-Cs-O-U +mp-1197882,CsU2(AsO9)2,-6.9304273148,-1.6331727059,0.3050254119,0.3050254119,GGA,P2_1/c,A2BC18D2_mP92_14_2e_e_18e_2e:As-Cs-O-U,92.0,A2BC18D2_mP92_14_2e_e_18e_2e:As-Cs-O-U +mp-1111971,CsK2TlF6,-4.28346634,-2.5886946182,0.1340733949,0.1340733949,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Tl +mp-989526,Cs2KTlF6,-4.405097678,-2.7318256137,0.0,-0.0409329454,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Tl +mp-1205751,Ba2UBeO6,-8.086175911,-3.2312854087,0.1556317572,0.1556317572,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Be-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Be-O-U +mp-1187752,UBeO3,-9.027323898,-3.0531460963,0.439026145,0.439026145,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-U,5.0,AB3C_cP5_221_b_c_a:Be-O-U +mp-1212739,EuGa3(BO3)4,-7.9490328205,-2.6780767462,0.0040448133,0.0040448133,GGA,R32,A4BC3D12_hR60_155_ad_b_e_2df:B-Eu-Ga-O,20.0,A4BC3D12_hR60_155_ad_b_e_2df:B-Eu-Ga-O +mp-1207734,YBiO12,-5.3155154779,-0.3392851365,0.6864713479,0.6864713479,GGA,Fd-3m,AB12C_cF112_227_a_g_b:Bi-O-Y,28.0,AB12C_cF112_227_a_g_b:Bi-O-Y +mp-1216041,YTaBi2O7,-8.2446930986,-2.7326887366,0.0506186082,0.0506186082,GGA,Imma,A2B7CD_oI44_74_ac_3ej_b_d:Bi-O-Ta-Y,22.0,"Invalid WP multiplicities - A2B7CD_oI44_74_ac_5e2j_b_d:Bi-O-Ta-Y, expected YTaBi2O13 to be YTaBi2O7" +mp-754107,Y(BiO2)3,-6.9621778445,-2.1953707674,0.0442815934,0.0442815934,GGA,R-3,A3B6C_hR60_148_f_2f_ab:Bi-O-Y,20.0,"Invalid WP multiplicities - A3B6C_hR60_148_f_7f_ab:Bi-O-Y, expected Y(BiO7)3 to be Y(BiO2)3" +mp-1070510,Y2BiO2,-8.277418846,-2.9440570902000003,0.0,-0.0523867828,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Bi-O-Y,5.0,AB2C2_tI10_139_a_d_e:Bi-O-Y +mp-1369528,YBiO3,-7.680666606,-2.6512613306,0.1657347279,0.1657347279,GGA,Pnma,AB3C_oP20_62_a_cd_c:Bi-O-Y,20.0,AB3C_oP20_62_a_cd_c:Bi-O-Y +mp-754152,YBiO3,-7.798726501,-2.7693212256,0.0476748329,0.0476748329,GGA,R-3,AB3C_hR30_148_c_f_c:Bi-O-Y,10.0,AB3C_hR30_148_c_f_c:Bi-O-Y +mp-768221,YBiO3,-7.81337911,-2.7839738346000003,0.0330222239,0.0330222239,GGA,R3c,AB3C_hR30_161_a_b_a:Bi-O-Y,10.0,AB3C_hR30_161_a_b_a:Bi-O-Y +mp-1358047,YBiO3,-7.726286742,-2.6968814666,0.1201145919,0.1201145919,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Bi-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Bi-O-Y +mp-1406000,YBiO3,-7.691130482,-2.6617252066,0.1552708519,0.1552708519,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Bi-O-Y,10.0,AB3C_hP10_194_c_bf_a:Bi-O-Y +mp-1424898,YBiO3,-6.747321852,-1.7179165766,1.0990794819,1.0990794819,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-O-Y,5.0,AB3C_cP5_221_b_c_a:Bi-O-Y +mp-860892,Y(Bi5O8)3,-6.3259214198,-1.7560629914,0.0505815962,0.0505815962,GGA,Pm,A15B24C_mP40_6_3a4b4c_4a4b8c_a:Bi-O-Y,40.0,"Invalid WP multiplicities - A15B24C_mP40_6_3a4b8c_4a4b16c_a:Bi-O-Y, expected YBi23O40 to be Y(Bi5O8)3" +mp-769643,Y(Bi3O5)4,-6.3570701585,-1.7665818282,0.0582993416,0.0582993416,GGA,I23,A12B20C_cI66_197_f_2cf_a:Bi-O-Y,33.0,"Invalid WP multiplicities - A12B20C_cI66_197_f_6c6f_a:Bi-O-Y, expected Y(BiO8)12 to be Y(Bi3O5)4" +mp-772305,Y2Bi2O7,-7.5694467623,-2.5475611745,0.0634553313,0.0634553313,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Bi-O-Y,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Bi-O-Y, expected Y7Bi7O27 to be Y2Bi2O7" +mp-753691,Y2Bi2O7,-7.55437606,-2.5324904722,0.0785260335,0.0785260335,GGA,C2/m,A2B7C2_mC22_12_i_aij_h:Bi-O-Y,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_i_a2i2j_h:Bi-O-Y, expected Y2Bi2O13 to be Y2Bi2O7" +mp-769359,Y2Bi2O7,-7.5564829145,-2.5345973268,0.076419179,0.076419179,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Bi-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Bi-O-Y, expected YBiO10 to be Y2Bi2O7" +mp-1213312,CsEu(WO4)2,-8.8492373225,-2.4623894623,0.0,-0.0079822233,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Eu-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Eu-O-W +mp-755544,YTlO2,-7.3737786275,-2.6931557069,0.0967973867,0.0967973867,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Tl-Y,4.0,A2BC_hR12_166_c_a_b:O-Tl-Y +mp-1207730,YTl(MoO4)2,-8.2122321121,-2.3710717646,0.0075016607,0.0075016607,GGA+U,Pnma,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Y,48.0,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Tl-Y +mp-1219160,Sm6Cu8P8O3,-6.0843721196,-1.3143058653,0.0012746685,0.0012746685,GGA,C222,A8B3C8D6_oC50_21_2e2f_abc_2l_kl:Cu-O-P-Sm,25.0,"Invalid WP multiplicities - A8B3C8D6_oC50_21_4e4f_abc_2l_kl:Cu-O-P-Sm, expected Sm6Cu16P8O3 to be Sm6Cu8P8O3" +mp-1220683,NbSn6OF15,-5.6862462924,-2.7393937101,0.0,-0.0121607607,GGA,Cc,A15BCD6_mC92_9_15a_a_a_6a:F-Nb-O-Sn,46.0,"Invalid WP multiplicities - A15BCD6_mC92_9_22a_a_a_9a:F-Nb-O-Sn, expected NbSn9OF22 to be NbSn6OF15" +mp-555276,Sm2US5,-7.2593166634,-2.0829627116,0.0361131169,0.0361131169,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-Sm-U,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_12c5d_d_c:S-Sm-U, expected Sm2US22 to be Sm2US5" +mp-1219058,SmThUS5,-7.6372931178,-2.1240301516,0.0408414538,0.0408414538,GGA,P2_12_12_1,A5BCD_oP32_19_5a_a_a_a:S-Sm-Th-U,32.0,A5BCD_oP32_19_5a_a_a_a:S-Sm-Th-U +mp-1203455,Sm2ThS5,-7.0401409903,-2.3484810085,0.0010343881,0.0010343881,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-Sm-Th,32.0,A5B2C_oP32_62_3cd_d_c:S-Sm-Th +mp-866313,Ba3In(BO3)3,-7.5397552597,-2.9730688682,0.0,-0.0096145134,GGA,R-3,A3B3CD9_hR96_148_f_f_ab_3f:B-Ba-In-O,32.0,A3B3CD9_hR96_148_f_f_ab_3f:B-Ba-In-O +mp-1188835,In(BO2)5,-7.7802875169,-2.4293169108,0.0889620181,0.0889620181,GGA,C2,A5BC10_mC32_5_a2c_b_5c:B-In-O,16.0,A5BC10_mC32_5_a2c_b_5c:B-In-O +mp-7027,InBO3,-7.315081527,-2.4608532001,0.0,-0.0625299723,GGA,R-3c,ABC3_hR30_167_a_b_e:B-In-O,10.0,ABC3_hR30_167_a_b_e:B-In-O +mp-556038,Ba3In(BO2)9,-8.0438250821,-2.9579047179,0.0083249005,0.0083249005,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-In-O,62.0,"Invalid WP multiplicities - A9B3CD18_hP62_176_4h5i_af_b_11h16i:B-Ba-In-O, expected Ba3In(B14O43)3 to be Ba3In(BO2)9" +mp-1213294,EuMg(BO2)5,-8.5538344678,-2.9820034198,0.0002375204,0.0002375204,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Eu-Mg-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Eu-Mg-O +mp-1223414,La2Te6WO18,-6.9390080935,-2.0971422934,0.011056692,0.011056692,GGA+U,P3c1,A2B18C6D_hP54_158_ab_abc5d_2d_c:La-O-Te-W,54.0,A2B18C6D_hP54_158_ab_abc5d_2d_c:La-O-Te-W +mp-1206020,K2Ce(CuS2)2,-5.0678747744,-1.4125303459,0.0,-0.07580175,GGA,C2/m,AB2C2D4_mC18_12_a_i_i_2i:Ce-Cu-K-S,9.0,AB2C2D4_mC18_12_a_i_i_2i:Ce-Cu-K-S +mp-7280,PPdS,-5.5056541583000005,-0.5957760972,0.0,-0.0477920125,GGA,Pbcn,ABC_oP24_60_d_d_d:P-Pd-S,24.0,ABC_oP24_60_d_d_d:P-Pd-S +mp-1205068,Rb4P3(PdS4)3,-4.7807438407,-0.9016944024,0.0340131526,0.0340131526,GGA,Pm-3n,A3B3C4D12_cP44_223_c_b_e_k:P-Pd-Rb-S,44.0,A3B3C4D12_cP44_223_c_b_e_k:P-Pd-Rb-S +mp-3006,P2Pd3S8,-5.2095625431,-0.6358818217000001,0.0,-0.0589209945,GGA,P-3m1,A2B3C8_hP13_164_d_e_di:P-Pd-S,13.0,"Invalid WP multiplicities - A2B3C8_hP13_164_d_e_d2i:P-Pd-S, expected P2Pd3S14 to be P2Pd3S8" +mp-1211069,Rb2Pd3S2,-4.0834466857,-0.4015019273,0.3378005436,0.3378005436,GGA,Fddd,A3B2C2_oF112_70_ch_h_h:Pd-Rb-S,,A3B2C2_oF112_70_ch_h_h:Pd-Rb-S +mp-1205714,Rb2P2Pd,-4.099531158,-0.5060201643,0.0,-0.1379035081,GGA,Cmcm,A2BC2_oC20_63_g_a_2c:P-Pd-Rb,10.0,A2BC2_oC20_63_g_a_2c:P-Pd-Rb +mp-663190,Rb2Pd3S4,-4.7198277211,-0.9368818275,0.0141127961,-0.1437423085,GGA,Cm,A3B2C4_mC18_8_ab_2a_2b:Pd-Rb-S,9.0,A3B2C4_aP9_1_3a_2a_4a:Pd-Rb-S +mp-11695,Rb2Pd3S4,-4.7322889278,-0.9493430342,0.0016515894,-0.1562035151,GGA,Fmmm,A3B2C4_oF36_69_ac_g_n:Pd-Rb-S,9.0,A3B2C4_oF36_69_ac_g_n:Pd-Rb-S +mp-1205388,Rb2Pd3S4,-4.7339405172,-0.9509946236,0.0,-0.1578551046,GGA,Fddd,A3B2C4_oF72_70_ae_e_h:Pd-Rb-S,18.0,A3B2C4_oF72_70_ae_e_h:Pd-Rb-S +mp-6943,Ca4GdB3O10,-8.4672999367,-3.3782119264,0.0,-0.013576904,GGA,Cm,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-Gd-O,18.0,"Invalid WP multiplicities - A3B4CD10_mC36_8_ab_2b_a_2a5b:B-Ca-Gd-O, expected Ca4Gd(BO4)3 to be Ca4GdB3O10" +mp-569072,La3B(CBr)2,-6.5468777737,-1.1655276824,0.0041939819,0.0041939819,GGA,Pnma,AB2C2D3_oP32_62_c_2c_2c_3c:B-Br-C-La,32.0,"Invalid WP multiplicities - AB2C2D3_oP32_62_c_6c_6c_7c:B-Br-C-La, expected La7B(CBr)6 to be La3B(CBr)2" +mp-624186,La9B3C6Br5,-6.6173496159,-1.0695507523,0.0,-0.0256540771,GGA,Pmmn,A3B5C6D9_oP46_59_ae_a2e_3e_b4e:B-Br-C-La,46.0,"Invalid WP multiplicities - A3B5C6D9_oP46_59_2a2e_2a7e_12e_2b15e:B-Br-C-La, expected La16B3(C3Br2)4 to be La9B3C6Br5" +mp-510357,La4B4Br5,-5.7572504235,-1.5859629501,0.0,-0.0613923636,GGA,C2/m,A4B5C4_mC52_12_2ij_ac4i_4i:B-Br-La,26.0,A4B5C4_mC52_12_2ij_ac4i_4i:B-Br-La +mp-568484,La3CBr5,-5.5324604997,-1.9989240044,0.0073125206,0.0073125206,GGA,C2/c,A5BC3_mC72_15_a3e3f_f_3f:Br-C-La,36.0,"Invalid WP multiplicities - A5BC3_mC72_15_2c6e11f_f_8f:Br-C-La, expected La8CBr15 to be La3CBr5" +mp-29994,La3C2Br3,-6.2691180177,-1.5285633564,0.0,-0.0548152608,GGA,C222_1,A3B2C3_oC128_20_6c_4c_2a5c:Br-C-La,64.0,A3B2C3_oC128_20_6c_4c_2a5c:Br-C-La +mp-1206284,LaCBr,-6.5650519067,-1.3258182642,0.0329047193,0.0329047193,GGA,C2/m,ABC_mC12_12_i_i_i:Br-C-La,6.0,ABC_mC12_12_i_i_i:Br-C-La +mp-29070,La5C2Br9,-5.6174736847,-2.0478098422,0.0,-0.0382173411,GGA,Pnma,A9B2C5_oP64_62_3c3d_2c_3cd:Br-C-La,64.0,A9B2C5_oP64_62_3c3d_2c_3cd:Br-C-La +mp-568985,La2B3Br,-6.1914311962,-0.9475615542,0.0,-0.0014344357,GGA,P-6m2,A3BC2_hP24_187_4k_aj_hn:B-Br-La,24.0,"Invalid WP multiplicities - A3BC2_hP24_187_10k_aj_2h3n:B-Br-La, expected La11B15Br2 to be La2B3Br" +mp-569873,La4C2Br5,-5.9316694291,-1.7528966059000002,0.0,-0.0188974793,GGA,Immm,A5B2C4_oI22_71_cn_e_eg:Br-C-La,11.0,"Invalid WP multiplicities - A5B2C4_oI22_71_cn_e_2e2g:Br-C-La, expected La8C2Br5 to be La4C2Br5" +mp-13500,Sm3Si2BO10,-8.6657604632,-3.5937183789,0.0,-0.0022608548,GGA,Pbca,AB10C2D3_oP128_61_c_10c_2c_3c:B-O-Si-Sm,128.0,"Invalid WP multiplicities - AB10C2D3_oP128_61_c_14c_2c_3c:B-O-Si-Sm, expected Sm3Si2BO14 to be Sm3Si2BO10" +mp-1147666,K2Zn3S4,-3.6801092156,-1.1750171943,0.0034150217,-0.0003057576,GGA,Pnma,A2B4C3_oP36_62_ac_2cd_cd:K-S-Zn,36.0,A2B4C3_oP36_62_ac_2cd_cd:K-S-Zn +mp-1147664,K2Zn3S4,-3.6835242372,-1.1784322159,0.0,-0.0037207793,GGA,Ibam,A2B4C3_oI36_72_j_k_af:K-S-Zn,18.0,A2B4C3_oI36_72_j_k_af:K-S-Zn +mp-774907,KLiZnS2,-3.83574446,-1.3253514285,0.0,-0.0279322967,GGA,I-4m2,ABC2D_tI10_119_c_a_f_b:K-Li-S-Zn,5.0,ABC2D_tI10_119_c_a_f_b:K-Li-S-Zn +mp-1147618,K6ZnS4,-3.4746880959,-1.2503302087,0.0,-0.0088751677,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:K-S-Zn,22.0,A6B4C_hP22_186_2c_bc_b:K-S-Zn +mp-1147773,K2ZnS2,-3.614663702,-1.2639754545,0.0,-0.0459993425,GGA,Ibam,A2B2C_oI20_72_j_j_a:K-S-Zn,10.0,A2B2C_oI20_72_j_j_a:K-S-Zn +mp-1199746,BaMo2C4O17,-7.2615698669,-1.2357929827,0.6341501255,0.6341501255,GGA+U,P3_1,AB4C2D17_hP72_144_a_4a_2a_17a:Ba-C-Mo-O,72.0,AB4C2D17_hP72_144_a_4a_2a_17a:Ba-C-Mo-O +mp-1194607,Mo2C4O9,-8.0408982197,-1.1658208469,0.5283124726,0.5283124726,GGA+U,P-1,A4B2C9_aP30_2_4i_2i_9i:C-Mo-O,30.0,A4B2C9_aP30_2_4i_2i_9i:C-Mo-O +mp-25082,Mo(CO)6,-8.2446095229,-0.8678575742,0.4159327137,0.4159327137,GGA+U,Pnma,A6BC6_oP52_62_2c2d_c_2c2d:C-Mo-O,52.0,"Invalid WP multiplicities - A6BC6_oP52_62_7c8d_c_8c12d:C-Mo-O, expected MoC23O32 to be Mo(CO)6" +mp-1200926,ScV(SeO4)2,-7.2981552037,-2.1330128854,0.0027456097,0.0027456097,GGA+U,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Se-V,48.0,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Se-V +mp-1202200,ScV(SeO4)2,-7.297612894,-2.1324705756,0.0032879195,0.0032879195,GGA+U,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Se-V,48.0,A8BC2D_mP48_14_8e_e_2e_e:O-Sc-Se-V +mp-1518892,CeEu2VO6,-9.643582091,-3.1224689818,0.219238584,0.219238584,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-V,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-V +mp-754728,LiScVO4,-8.29461977,-2.992897929,0.0362697257,0.0362697257,GGA+U,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Sc-V,28.0,AB4CD_oI28_74_e_hi_a_c:Li-O-Sc-V +mp-1111004,KNa2TaF6,-5.468594957,-2.7603848601000003,0.3994781703,0.3994781703,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ta,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ta +mp-1110828,K2NaTaF6,-5.624426517,-2.9374290548,0.2287246006,0.2287246006,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ta +mp-1112895,Cs2YHgI6,-3.178115123,-1.4379996908,0.07104759,0.07104759,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Hg-I-Y +mp-1195887,Na3U6CrF30,-7.2195673479,-3.751731037,0.2561132214,0.2561132214,GGA+U,P-3c1,AB30C3D6_hP80_165_a_5g_bd_g:Cr-F-Na-U,80.0,AB30C3D6_hP80_165_a_5g_bd_g:Cr-F-Na-U +mp-1205570,Hf3NiF6,-6.573197421,-1.8611396635,1.338053386,1.338053386,GGA+U,P-1,A6B3C_aP10_2_3i_bce_a:F-Hf-Ni,10.0,A6B3C_aP10_2_3i_bce_a:F-Hf-Ni +mp-1237178,Hf3NiF6,-6.694793526,-1.9827357685,1.216457281,1.216457281,GGA+U,P-1,A6B3C_aP10_2_3i_bcd_a:F-Hf-Ni,10.0,A6B3C_aP10_2_3i_bcd_a:F-Hf-Ni +mp-1213549,Hf3Ni(OF)6,-7.5943032375,-2.7942588723,0.4381009626,0.4381009626,GGA+U,P-1,A6B3CD6_aP16_2_3i_abc_f_3i:F-Hf-Ni-O,16.0,A6B3CD6_aP16_2_3i_abc_f_3i:F-Hf-Ni-O +mp-1236837,Hf3Ni(OF)6,-7.6925573337,-2.8925129686,0.3398468663,0.3398468663,GGA+U,P-1,A6B3CD6_aP16_2_3i_bcd_a_3i:F-Hf-Ni-O,16.0,A6B3CD6_aP16_2_3i_bcd_a_3i:F-Hf-Ni-O +mp-1104428,HfNi(OF)6,-5.16460243,-1.101293017,0.8696928358,0.8696928358,GGA+U,R-3,A6BCD6_hR42_148_f_a_b_f:F-Hf-Ni-O,14.0,A6BCD6_hR42_148_f_a_b_f:F-Hf-Ni-O +mp-1221377,Na2V3(SeO)6,-5.2485043118,-0.51012961,1.1573474363,1.1573474363,GGA+U,C2/m,A2B6C6D3_mC34_12_h_ij_ij_ag:Na-O-Se-V,17.0,"Invalid WP multiplicities - A2B6C6D3_mC34_12_h_2i3j_2i3j_ag:Na-O-Se-V, expected Na2V3(SeO)16 to be Na2V3(SeO)6" +mp-556475,KLaPdO3,-6.6720052583000005,-2.3276129257,0.0088446263,0.0088446263,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:K-La-O-Pd,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_6i_i:K-La-O-Pd, expected KLaPdO6 to be KLaPdO3" +mp-1119132,CsOsN2,-7.2598261003,-0.0608861872,0.2178646049,0.2178646049,GGA,I4_1/a,AB2C_tI80_88_af_c2f_bf:Cs-N-Os,40.0,AB2C_tI80_88_af_c2f_bf:Cs-N-Os +mp-1029566,CsOsN2,-7.2615284323,-0.0625885192,0.2161622729,0.2161622729,GGA,I4_1/amd,AB2C_tI16_141_b_c_a:Cs-N-Os,40.0,AB2C_tI16_141_b_c_a:Cs-N-Os +mp-561383,CsOsNO3,-7.2635877625,-1.3803659524,0.0,-0.0154505108,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cs-N-O-Os,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_4c4d_c:Cs-N-O-Os, expected CsOsNO12 to be CsOsNO3" +mp-559998,Cs(OsO3)2,-7.5669342372,-1.6746820706,0.0,-0.2772143285,GGA,Fd-3m,AB6C2_cF72_227_a_f_d:Cs-O-Os,18.0,AB6C2_cF72_227_a_f_d:Cs-O-Os +mp-1247513,Cs6OsN4,-4.5209626386,0.0195611216,0.2222889704,0.2222889704,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Cs-N-Os,22.0,A6B4C_tP22_137_df_g_a:Cs-N-Os +mp-734596,CsOs2O9,-7.1586511296,-1.5027898268,0.0,-0.0236419546,GGA,Cc,AB9C2_mC48_9_a_9a_2a:Cs-O-Os,24.0,AB9C2_mC48_9_a_9a_2a:Cs-O-Os +mp-1183914,CsOsO3,-6.716291416,-1.3237242288,0.241042683,0.241042683,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Os,5.0,AB3C_cP5_221_a_c_b:Cs-O-Os +mp-1211772,Li3Dy(NO3)6,-6.7626077504,-1.4271462578,0.0,-0.0071054809,GGA,P2_1/c,AB3C6D18_mP112_14_e_3e_6e_18e:Dy-Li-N-O,112.0,AB3C6D18_mP112_14_e_3e_6e_18e:Dy-Li-N-O +mp-735135,CaHg(IO2)4,-4.2757599421,-0.8631702754,0.3878380222,0.3878380222,GGA,P4_2/mbc,ABC4D8_tP112_135_bd_h_2hi_4i:Ca-Hg-I-O,112.0,ABC4D8_tP112_135_bd_h_2hi_4i:Ca-Hg-I-O +mp-1111378,K2TlAuF6,-4.084838068,-2.1522183834,0.1675886427,0.1675886427,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Tl +mp-1102075,TbH2ClO2,-6.28602447,-2.4257357579,0.0,-0.0615607606,GGA,P2_1/m,AB2C2D_mP12_11_e_2e_2e_e:Cl-H-O-Tb,12.0,AB2C2D_mP12_11_e_2e_2e_e:Cl-H-O-Tb +mp-1207220,Sr2ErUO6,-8.495817186,-3.6039923866,0.0900256593,0.0900256593,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Er-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Er-O-Sr-U +mp-1225804,Er2U3O11,-9.7410274762,-3.6520747591,0.1650636869,0.1650636869,GGA,Immm,A2B11C3_oI32_71_e_cg2n_be:Er-O-U,16.0,"Invalid WP multiplicities - A2B11C3_oI32_71_e_c2g6n_b2e:Er-O-U, expected Er2U5O29 to be Er2U3O11" +mp-1220087,NdTa2O6F,-9.595752678,-3.5882212853,0.0523982258,0.0523982258,GGA,Imma,ABC6D2_oI40_74_e_a_2ej_bc:F-Nd-O-Ta,20.0,"Invalid WP multiplicities - ABC6D2_oI40_74_e_a_4e2j_bc:F-Nd-O-Ta, expected NdTa2O12F to be NdTa2O6F" +mp-669381,Pb2OF2,-5.3431631355,-2.1041749782,0.1038479185,0.0931548783,GGA,Pmm2,A2BC2_oP20_25_2i_abcd_efgh:F-O-Pb,20.0,"Invalid WP multiplicities - A2BC2_oP20_25_3i_abcd_2efgh:F-O-Pb, expected Pb5(OF3)2 to be Pb2OF2" +mp-1105787,Pb2OF2,-5.3082658915,-2.0692777342,0.1387451625,0.1280521223,GGA,P-4m2,A2BC2_tP20_115_hi_acg_jk:F-O-Pb,20.0,A2BC2_tP20_115_hi_acg_jk:F-O-Pb +mp-27355,Pb2OF2,-5.447011054,-2.2080228967,0.0,-0.0106930402,GGA,P4_2/nmc,A2BC2_tP20_137_f_d_g:F-O-Pb,20.0,A2BC2_tP20_137_f_d_g:F-O-Pb +mp-1220840,Nb3Pb2O7F5,-7.69968105,-2.8812442808,0.0608477393,0.0608477393,GGA,Imm2,A5B3C7D2_oI34_44_2a3b_3a_2a5b_2a:F-Nb-O-Pb,17.0,A5B3C7D2_oI34_44_2a3b_3a_2a5b_2a:F-Nb-O-Pb +mp-1210028,Nb3Pb2(O2F)4,-7.7716402718,-2.7746617529,0.0466997551,0.0466997551,GGA,I4/mmm,A4B3C8D2_tI34_139_de_ae_ceg_e:F-Nb-O-Pb,17.0,A4B3C8D2_tI34_139_de_ae_ceg_e:F-Nb-O-Pb +mp-1220828,Nb4Pb3(O6F)2,-8.2004350658,-2.7372739306,0.0,-0.0001392896,GGA,Amm2,A2B4C12D3_oC168_38_2ad2e_2c2d2ef_2a4b3d2e8f_2c2d2e:F-Nb-O-Pb,84.0,"Invalid WP multiplicities - A2B4C12D3_oC168_38_2a2d3e_4c4d4e2f_2a4b4d3e32f_4c4d4e:F-Nb-O-Pb, expected Nb8Pb6O37F3 to be Nb4Pb3(O6F)2" +mp-1228397,Ba3UIn2O9,-7.4438133597,-2.9723533136,0.0,-0.0499200728,GGA,Immm,A3B2C9D_oI60_71_fn_abg_e3ln_h:Ba-In-O-U,30.0,"Invalid WP multiplicities - A3B2C9D_oI60_71_2f2n_abg_2e12l2n_h:Ba-In-O-U, expected Ba6UIn2O30 to be Ba3UIn2O9" +mp-1228272,Ba3UIn2O9,-7.4381727247,-2.9667126786,0.005640635,-0.0442794378,GGA,P-3m1,A3B2C9D_hP15_164_ad_d_ei_b:Ba-In-O-U,15.0,"Invalid WP multiplicities - A3B2C9D_hP15_164_ad_d_2e3i_b:Ba-In-O-U, expected Ba3UIn2O24 to be Ba3UIn2O9" +mp-1205569,Ba2UInO6,-7.931882179,-3.1757645903,0.0,-0.0269441618,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-U +mp-1246931,Lu3Mg2VS8,-6.1351033686,-1.9251807496,0.0585951787,0.0585951787,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Lu-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Lu-Mg-S-V, expected Lu3Mg2VS22 to be Lu3Mg2VS8" +mp-1247137,LuMgVS4,-6.2288497286,-1.6930017132,0.0918856445,0.0918856445,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Lu-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Lu-Mg-S-V, expected LuMgVS12 to be LuMgVS4" +mp-1247220,LuMg2V3S8,-6.332767425,-1.4709940132,0.1150047738,0.1150047738,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Lu-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Lu-Mg-S-V, expected LuMg2V3S16 to be LuMg2V3S8" +mp-608014,K2Ge2Pb2O7,-6.0961574931,-1.9793137452,0.0,-0.0397722231,GGA,P-3,A2B2C7D2_hP13_147_c_d_ag_d:Ge-K-O-Pb,13.0,"Invalid WP multiplicities - A2B2C7D2_hP13_147_c_d_a2g_d:Ge-K-O-Pb, expected K2Ge2Pb2O13 to be K2Ge2Pb2O7" +mp-1217508,TbSc3(BO3)4,-8.936277951000001,-3.4507976993,0.0001945008,0.0001945008,GGA,P-1,A4B12C3D_aP20_2_2i_6i_abe_h:B-O-Sc-Tb,20.0,"Invalid WP multiplicities - A4B12C3D_aP20_2_4i_12i_abe_h:B-O-Sc-Tb, expected TbSc3(BO3)8 to be TbSc3(BO3)4" +mp-1077494,NaUO4,-8.3099976133,-2.9098825886,0.0967216206,0.0967216206,GGA,R-3m,AB4C_hR18_166_a_2c_b:Na-O-U,6.0,AB4C_hR18_166_a_2c_b:Na-O-U +mp-504540,Na11U5O16,-7.3772187756,-2.6849735363,0.0727884802,0.0727884802,GGA,P4_232,A11B16C5_cP64_208_beh_adm_cf:Na-O-U,64.0,A11B16C5_cP64_208_beh_adm_cf:Na-O-U +mp-1223772,Na4U3Te5O21,-7.2139772246,-2.4030280244,0.0208412686,0.0208412686,GGA,P1,A4B21C5D3_aP132_1_16a_84a_20a_12a:Na-O-Te-U,132.0,A4B21C5D3_aP132_1_16a_84a_20a_12a:Na-O-Te-U +mp-1173743,Na2UO3,-7.32321551,-2.5271277216,0.2368239961,0.2368239961,GGA,P1,A2B3C_aP6_1_2a_3a_a:Na-O-U,6.0,A2B3C_aP6_1_2a_3a_a:Na-O-U +mp-1103515,Na2U(TeO5)2,-6.837892824,-2.1918955243,0.0154287753,0.0154287753,GGA,C2/m,A2B10C2D_mC30_12_i_5i_i_a:Na-O-Te-U,,"Invalid WP multiplicities - A2B10C2D_mC30_12_i_10i_i_a:Na-O-Te-U, expected Na2U(TeO10)2 to be Na2U(TeO5)2" +mp-1221164,Na5U5O18,-8.6538642713,-3.2213616527,0.0,-0.0013793385,GGA,Cc,A5B18C5_mC112_9_5a_18a_5a:Na-O-U,56.0,"Invalid WP multiplicities - A5B18C5_mC112_9_5a_27a_7a:Na-O-U, expected Na5U7O27 to be Na5U5O18" +mp-554191,Na2UO4,-7.84660271,-3.029000504,0.0,-0.0315345545,GGA,Pbam,A2B4C_oP14_55_g_gh_b:Na-O-U,14.0,"Invalid WP multiplicities - A2B4C_oP14_55_g_4g4h_b:Na-O-U, expected Na2UO16 to be Na2UO4" +mp-669528,Na2UO4,-7.8214695025,-3.0038672965,0.0251332075,-0.006401347,GGA,Pccn,A2B4C_oP28_56_e_2e_a:Na-O-U,28.0,"Invalid WP multiplicities - A2B4C_oP28_56_e_10e_a:Na-O-U, expected Na2UO20 to be Na2UO4" +mp-17560,Na2UO4,-7.8380019068,-3.0203997008,0.0086008032,-0.0229337513,GGA,Pbca,A2B4C_oP28_61_c_2c_a:Na-O-U,28.0,A2B4C_oP28_61_c_2c_a:Na-O-U +mp-546142,Na2UO4,-7.8108535286,-2.9932513226,0.0357491814,0.0042146269,GGA,Cmmm,A2B4C_oC14_65_f_gj_a:Na-O-U,7.0,"Invalid WP multiplicities - A2B4C_oC14_65_f_2g2j_a:Na-O-U, expected Na2UO8 to be Na2UO4" +mp-7725,Na2UO4,-7.7858279457,-2.9682257397000003,0.0607747643,0.0292402098,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Na-O-U,7.0,A2B4C_tI14_139_e_ce_a:Na-O-U +mp-5788,NaUO3,-8.7827652565,-3.2919649691,0.0,-0.0462768855,GGA,Pnma,AB3C_oP20_62_c_cd_a:Na-O-U,20.0,AB3C_oP20_62_c_cd_a:Na-O-U +mp-1190329,Na2U2O7,-8.7155246791,-3.2741890804,0.0043383668,-0.0327765655,GGA,P2_1,A2B7C2_mP22_4_2a_7a_2a:Na-O-U,22.0,A2B7C2_mP22_4_2a_7a_2a:Na-O-U +mp-1221282,Na2U2O7,-8.6579023536,-3.2165667549,0.0619606923,0.02484576,GGA,Pm,A2B7C2_mP11_6_ab_3a4b_ab:Na-O-U,11.0,A2B7C2_mP11_6_ab_3a4b_ab:Na-O-U +mp-674492,Na2U2O7,-8.7152381536,-3.2739025549,0.0046248923,-0.03249004,GGA,P2_1/m,A2B7C2_mP22_11_ae_3e2f_de:Na-O-U,22.0,"Invalid WP multiplicities - A2B7C2_mP22_11_2a2e_4e7f_2c2e:Na-O-U, expected Na2U2O9 to be Na2U2O7" +mp-1190548,Na2U2O7,-8.7198630459,-3.2785274472,0.0,-0.0371149323,GGA,C2/m,A2B7C2_mC44_12_abh_3i2j_ei:Na-O-U,22.0,A2B7C2_mC44_12_abh_3i2j_fi:Na-O-U +mp-1195011,Na2U2O7,-8.7185632125,-3.2772276138,0.0012998334,-0.0358150989,GGA,P2_1/c,A2B7C2_mP44_14_ace_7e_2e:Na-O-U,44.0,A2B7C2_mP44_14_ace_7e_2e:Na-O-U +mp-1195585,NaU(Te3O8)2,-6.4656061602,-1.8564065751,0.0507816554,0.0507816554,GGA,Pa-3,AB16C6D_cP96_205_a_2c2d_d_b:Na-O-Te-U,96.0,AB16C6D_cP96_205_a_2c2d_d_b:Na-O-Te-U +mp-34842,Na3UO4,-7.119910505,-2.7391929131,0.0,-0.0300327736,GGA,Cmmm,A3B4C_oC16_65_af_gj_b:Na-O-U,8.0,"Invalid WP multiplicities - A3B4C_oC16_65_af_2gj_b:Na-O-U, expected Na3UO6 to be Na3UO4" +mp-5327,Na4UO5,-6.819793776,-2.688298302,0.0,-0.136310017,GGA,I4/m,A4B5C_tI20_87_h_ah_b:Na-O-U,10.0,A4B5C_tI20_87_h_ah_b:Na-O-U +mp-1190512,Na2UTeO7,-7.2223555005,-2.5217566396,0.0,-0.0396168155,GGA,Ama2,A2B7CD_oC44_40_ab_3b2c_a_b:Na-O-Te-U,22.0,A2B7CD_oC44_40_ab_3b2c_a_b:Na-O-Te-U +mp-1210061,NaU3O8,-9.7530717533,-3.5222163355,0.0177192798,0.0177192798,GGA,P-62m,AB8C3_hP12_189_b_cfg_f:Na-O-U,12.0,"Invalid WP multiplicities - AB8C3_hP12_189_b_cf2g_f:Na-O-U, expected NaU3O11 to be NaU3O8" +mp-1190490,NaU(TeO4)2,-7.0846500138,-2.2118119487,0.107013667,0.107013667,GGA,Pmn2_1,AB8C2D_oP24_31_a_4a2b_b_a:Na-O-Te-U,24.0,AB8C2D_oP24_31_a_4a2b_b_a:Na-O-Te-U +mp-1102318,LiCdBO3,-6.3690355817,-2.3104904931,0.0003327483,-0.0296234646,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:B-Cd-Li-O,12.0,ABCD3_aP12_2_i_i_i_3i:B-Cd-Li-O +mp-6126,LiCdBO3,-6.36936833,-2.3108232415,0.0,-0.0299562129,GGA,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Cd-Li-O,18.0,ABCD3_hP18_174_acf_k_j_2jk:B-Cd-Li-O +mp-1224360,HfNb2VC4,-10.056234465,-0.5364385712,0.0760553348,0.0760553348,GGA,R3m,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Nb-V,8.0,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Nb-V +mp-559511,Cr3B7ClO13,-8.5492150667,-2.6379494537,0.0,-0.08092918,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Cr-O,96.0,"Invalid WP multiplicities - A7BC3D13_oI96_45_4a16c_b_3b3c_4a39c:B-Cl-Cr-O, expected Cr9B36ClO82 to be Cr3B7ClO13" +mp-653248,Cr3B7ClO13,-8.544476961099999,-2.6332113481,0.0047381056,-0.0761910745,GGA+U,P-42_1c,A7BC3D13_tP192_114_7e_cd_abd2e_13e:B-Cl-Cr-O,192.0,"Invalid WP multiplicities - A7BC3D13_tP192_114_49e_2c2d_2ab3d11e_102e:B-Cl-Cr-O, expected Cr53B196(ClO51)8 to be Cr3B7ClO13" +mp-561520,Cr3B7ClO13,-8.5488842248,-2.6376186118,0.0003308419,-0.0805983382,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Cl-Cr-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_5c5e_a_d_2b3h:B-Cl-Cr-O, expected Cr3B35ClO38 to be Cr3B7ClO13" +mp-1223528,KGaGeS4,-4.6772144111,-1.0618826551,0.0,-0.0353504438,GGA,P2_1,ABCD4_mP28_4_2a_2a_2a_8a:Ga-Ge-K-S,28.0,ABCD4_mP28_4_2a_2a_2a_8a:Ga-Ge-K-S +mp-541686,K3GaS3,-4.0128940964,-1.3316594587,0.0,-0.0656870898,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Ga-K-S,28.0,AB3C3_mP28_14_e_3e_3e:Ga-K-S +mp-17650,KGaS2,-4.4012842991,-1.2984356232,0.0,-0.1198514307,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Ga-K-S,32.0,"Invalid WP multiplicities - ABC2_mC64_15_3f_3f_3e7f:Ga-K-S, expected K6Ga6S17 to be KGaS2" +mp-755074,CeOF,-8.347562435,-4.0838101571,0.0014338983,-0.0742722328,GGA,P4/nmm,ABC_tP6_129_c_a_b:Ce-F-O,6.0,ABC_tP6_129_c_a_b:Ce-F-O +mp-1178454,CeOF,-8.25430682,-3.9905545421,0.0946895133,0.0189833822,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ce-F-O,6.0,ABC_tP6_129_c_c_a:Ce-F-O +mp-755007,CeOF,-8.3489963333,-4.0852440554,0.0,-0.0757061312,GGA,R-3m,ABC_hR18_166_c_c_c:Ce-F-O,6.0,ABC_hR18_166_c_c_c:Ce-F-O +mp-34976,CeOF,-8.2673202167,-4.0035679387,0.0816761167,0.0059699855,GGA,F-43m,ABC_cF12_216_c_a_b:Ce-F-O,3.0,ABC_cF12_216_c_a_b:Ce-F-O +mp-1192442,CeMoO4F,-8.4256160582,-2.9289056186,0.0437196802,0.0437196802,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Ce-F-Mo-O,28.0,ABCD4_mP28_14_e_e_e_4e:Ce-F-Mo-O +mp-1180913,MgSe2(NO7)2,-5.5285116097,-0.5538413564,0.4649429449,0.4649429449,GGA,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Mg-N-O-Se,38.0,AB2C14D2_mP38_14_a_e_7e_e:Mg-N-O-Se +mp-1228136,Ba3Pb(SO4)4,-6.8866771929,-2.5049109122,0.0027908594,0.0027908594,GGA,Pm,A3B16CD4_mP24_6_a2b_4a4b4c_a_2a2b:Ba-O-Pb-S,24.0,"Invalid WP multiplicities - A3B16CD4_mP24_6_a2b_4a4b8c_a_2a2b:Ba-O-Pb-S, expected Ba3Pb(SO6)4 to be Ba3Pb(SO4)4" +mp-1228616,BaPb2(SO4)3,-6.6800003033,-2.173673458,0.0,-0.0161785297,GGA,P1,AB12C2D3_aP72_1_4a_48a_8a_12a:Ba-O-Pb-S,72.0,AB12C2D3_aP72_1_4a_48a_8a_12a:Ba-O-Pb-S +mp-1228326,BaPb2(SO4)3,-6.6785417231,-2.1722148777,0.0014585803,-0.0147199494,GGA,Pm,AB12C2D3_mP72_6_4a_12a12b12c_2a6b_6a6b:Ba-O-Pb-S,72.0,"Invalid WP multiplicities - AB12C2D3_mP72_6_4a_12a12b24c_2a6b_6a6b:Ba-O-Pb-S, expected BaPb2(SO6)3 to be BaPb2(SO4)3" +mp-1227878,BaPb(SO4)2,-6.7592734904,-2.3027708709,0.0045139125,0.0045139125,GGA,Pmc2_1,AB8CD2_oP24_26_a_2a2b2c_b_ab:Ba-O-Pb-S,24.0,"Invalid WP multiplicities - AB8CD2_oP24_26_a_2a2b3c_b_ab:Ba-O-Pb-S, expected BaPb(SO5)2 to be BaPb(SO4)2" +mp-1228883,Ba2Pb(SO4)3,-6.8450512313,-2.4383728376,0.0025232713,0.0025232713,GGA,Pm,A2B12CD3_mP72_6_2a6b_12a12b12c_4a_6a6b:Ba-O-Pb-S,72.0,"Invalid WP multiplicities - A2B12CD3_mP72_6_2a6b_12a12b24c_4a_6a6b:Ba-O-Pb-S, expected Ba2Pb(SO6)3 to be Ba2Pb(SO4)3" +mp-1229061,Ba2Pb(SO4)3,-6.8454397907,-2.438761397,0.0021347118,0.0021347118,GGA,Pm,A2B12CD3_mP72_6_2a6b_12a12b12c_4a_6a6b:Ba-O-Pb-S,72.0,"Invalid WP multiplicities - A2B12CD3_mP72_6_2a6b_12a12b24c_4a_6a6b:Ba-O-Pb-S, expected Ba2Pb(SO6)3 to be Ba2Pb(SO4)3" +mp-1229073,Ba2Pb(SO4)3,-6.8453277679,-2.4386493743,0.0022467346,0.0022467346,GGA,Pm,A2B12CD3_mP72_6_2a6b_12a12b12c_4a_6a6b:Ba-O-Pb-S,72.0,"Invalid WP multiplicities - A2B12CD3_mP72_6_2a6b_12a12b24c_4a_6a6b:Ba-O-Pb-S, expected Ba2Pb(SO6)3 to be Ba2Pb(SO4)3" +mp-1080241,Li2Ge(S2O7)3,-6.4253476453000005,-1.8540131211,0.0,-0.0355338294,GGA,R-3,AB2C21D6_hR540_148_3c_2f_21f_6f:Ge-Li-O-S,180.0,AB2C21D6_hR540_148_3c_2f_21f_6f:Ge-Li-O-S +mp-1217849,TaV(Cu3S4)2,-5.7777166094,-0.8634339434,0.0,-0.0002310262,GGA,P-4m2,A6B8CD_tP16_115_cdh_jk_a_b:Cu-S-Ta-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_115_cdh_3j4k_a_b:Cu-S-Ta-V, expected TaV(Cu3S14)2 to be TaV(Cu3S4)2" +mp-777749,Y2Sb2O7,-7.8827324821,-2.8083901471,0.0807904859,0.0807904859,GGA,P3_121,A7B2C2_hP66_152_7c_abc_abc:O-Sb-Y,66.0,"Invalid WP multiplicities - A7B2C2_hP66_152_42c_2a3b2c_3a3b3c:O-Sb-Y, expected Y4Sb3O28 to be Y2Sb2O7" +mp-1345216,Y2Sb2O7,-7.7879329823,-2.7135906472,0.1755899857,0.1755899857,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Sb-Y,22.0,A7B2C2_cF88_227_af_d_c:O-Sb-Y +mp-1207793,Y3Sb5O12,-7.6214358495,-2.6512016457,0.0,-0.0489074164,GGA,I-43m,A12B5C3_cI80_217_2g_ce_d:O-Sb-Y,40.0,A12B5C3_cI80_217_2g_ce_d:O-Sb-Y +mp-981511,Y3SbO7,-8.6906314691,-3.4037918728,0.0,-0.0430450463,GGA,Cmcm,A7BC3_oC44_63_3ch_a_bg:O-Sb-Y,22.0,A7BC3_oC44_63_3ch_a_bg:O-Sb-Y +mp-1340878,YSbO3,-7.689127059,-2.6020193616,0.3132786457,0.3132786457,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sb-Y,20.0,A3BC_oP20_62_cd_a_c:O-Sb-Y +mp-1347073,YSbO3,-7.7625239857,-2.6754162882,0.2398817191,0.2398817191,GGA,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-Sb-Y,30.0,A3BC_hP30_185_ab2c_c_ab:O-Sb-Y +mp-1389035,YSbO3,-7.745969549,-2.6588618516,0.2564361558,0.2564361558,GGA,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-Sb-Y,10.0,A3BC_hP10_194_bf_c_a:O-Sb-Y +mp-1416619,YSbO3,-7.006274104,-1.9191664066,0.9961316007,0.9961316007,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sb-Y,5.0,A3BC_cP5_221_c_b_a:O-Sb-Y +mp-1207765,YSbO4,-7.9153375037,-2.8516329707,0.0,-0.105976346,GGA,P-1,A4BC_aP24_2_8i_2i_2i:O-Sb-Y,24.0,A4BC_aP24_2_8i_2i_2i:O-Sb-Y +mp-560652,YSbMo2O9,-8.2799695652,-2.3717410287,0.0339173208,0.0339173208,GGA+U,C2/c,A2B9CD_mC104_15_2f_9f_f_2e:Mo-O-Sb-Y,52.0,"Invalid WP multiplicities - A2B9CD_mC104_15_4f_31f_f_4e:Mo-O-Sb-Y, expected Y2SbMo4O31 to be YSbMo2O9" +mp-1106099,Y2MnCrO6,-9.228574459,-3.0857607334,0.0327746714,0.0327746714,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cr-Mn-O-Y,20.0,ABC6D2_mP20_14_a_b_3e_e:Cr-Mn-O-Y +mp-1189214,Y2MnCrO6,-9.245094764,-3.1022810384,0.0162543664,0.0162543664,GGA+U,P2_1/c,ABC6D2_mP20_14_a_b_3e_e:Cr-Mn-O-Y,20.0,ABC6D2_mP20_14_a_b_3e_e:Cr-Mn-O-Y +mp-1207744,YMnCrO5,-8.925378179700001,-2.6735060007,0.0441791325,0.0441791325,GGA+U,Pbam,ABC5D_oP32_55_e_g_fghi_h:Cr-Mn-O-Y,32.0,ABC5D_oP32_55_e_g_fghi_h:Cr-Mn-O-Y +mp-541735,K4Ti3S14,-5.4280256626,-1.3309604258,0.0,-0.0398932441,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:K-S-Ti,42.0,A4B14C3_mC84_15_2f_7f_ef:K-S-Ti +mp-1211474,K2Ti(CuS2)2,-5.1517488672,-1.2783596763,0.0,-0.0780670944,GGA,P4_2/mcm,A2B2C4D_tP18_132_e_i_o_b:Cu-K-S-Ti,18.0,A2B2C4D_tP18_132_e_i_o_b:Cu-K-S-Ti +mp-1018072,KTiS2,-5.8923646775,-1.5726670031,0.0672315125,0.0672315125,GGA,R3m,AB2C_hR12_160_a_2a_a:K-S-Ti,4.0,AB2C_hR12_160_a_2a_a:K-S-Ti +mp-1018051,KTiS2,-5.9038399125000005,-1.5841422381,0.0557562775,0.0557562775,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Ti,4.0,AB2C_hR12_166_a_c_b:K-S-Ti +mp-28766,K2TiS3,-5.3675256433000005,-1.6132523915,0.0,-0.1627034692,GGA,C2/c,A2B3C_mC24_15_f_ef_e:K-S-Ti,12.0,A2B3C_mC24_15_f_ef_e:K-S-Ti +mp-1098739,Mg30MnBO32,-6.3697621703,-2.8987645559,0.1131984737,0.1131984737,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:B-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:B-Mg-Mn-O, expected Mg90MnBO80 to be Mg30MnBO32" +mp-1037887,Mg30MnBO32,-6.3676330852,-2.8966354707,0.1153275589,0.1153275589,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:B-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:B-Mg-Mn-O, expected Mg110MnBO72 to be Mg30MnBO32" +mp-1234717,MgMn2(B4O7)2,-8.1387753588,-2.4342518885,0.2998135475,0.2998135475,GGA+U,C2,A8BC2D14_mC50_5_2a2b2c_a_c_7c:B-Mg-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_mC50_5_2a2b2c_a_c_10c:B-Mg-Mn-O, expected MgMn2(B2O5)4 to be MgMn2(B4O7)2" +mp-1234300,MgMn2(B4O7)2,-8.1950238984,-2.4905004281,0.2435650079,0.2435650079,GGA+U,Pm,A8BC2D14_mP25_6_2a2b2c_a_ab_3a3b4c:B-Mg-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_mP25_6_2a2b3c_a_ab_3a3b8c:B-Mg-Mn-O, expected MgMn2(B5O11)2 to be MgMn2(B4O7)2" +mp-1233528,MgMn2(B4O7)2,-8.0573942788,-2.3528708085,0.3811946275,0.3811946275,GGA+U,Amm2,A8BC2D14_oC50_38_def_a_ab_abde2f:B-Mg-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_oC50_38_2d2e2f_a_ab_ab2d2e7f:B-Mg-Mn-O, expected MgMn2(B8O19)2 to be MgMn2(B4O7)2" +mp-555830,Mg3Mn3(BO5)2,-7.9212250817,-2.637194155,0.0166345803,0.0166345803,GGA+U,P2_1/m,A2B3C3D10_mP36_11_f_a2e_bce_4e3f:B-Mg-Mn-O,36.0,"Invalid WP multiplicities - A2B3C3D10_mP36_11_f_2c2e_2abe_8e9f:B-Mg-Mn-O, expected Mg2Mn2BO13 to be Mg3Mn3(BO5)2" +mp-1036103,Mg14MnBO16,-6.4223676241,-2.7538567758,0.216028984,0.216028984,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:B-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:B-Mg-Mn-O, expected Mg18MnBO20 to be Mg14MnBO16" +mp-1036083,Mg14MnBO16,-6.4179379963,-2.749427148,0.2204586118,0.2204586118,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:B-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:B-Mg-Mn-O, expected Mg30MnBO32 to be Mg14MnBO16" +mp-1222009,MgMnB2O5,-8.2017736714,-2.7734934003,0.0,-0.0013511284,GGA+U,P-1,A2BCD5_aP18_2_2i_i_i_5i:B-Mg-Mn-O,36.0,A2BCD5_aP18_2_2i_i_i_5i:B-Mg-Mn-O +mp-1032694,Mg6MnBO8,-6.5303607338,-2.4668234179,0.4189078024,0.4189078024,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:B-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:B-Mg-Mn-O, expected Mg6MnBO12 to be Mg6MnBO8" +mp-1032698,Mg6MnBO8,-6.5163046169,-2.4527673011,0.4329639193,0.4329639193,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:B-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:B-Mg-Mn-O, expected Mg6MnBO12 to be Mg6MnBO8" +mp-2240029,MgMn2(BO3)2,-8.30813689,-2.5842072133,0.0528273514,0.0528273514,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:B-Mg-Mn-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:B-Mg-Mn-O +mp-770722,Mg3Mn5(BO4)4,-8.1780028925,-2.5895920684,0.0,-0.0026529964,GGA+U,P1,A4B3C5D16_aP28_1_4a_3a_5a_16a:B-Mg-Mn-O,28.0,A4B3C5D16_aP28_1_4a_3a_5a_16a:B-Mg-Mn-O +mp-1236252,LiSm4V4O12,-8.6077115733,-3.0610850866,0.0909775187,0.0909775187,GGA+U,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-V,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Li-O-Sm-V +mp-1111674,K2LiCeI6,-3.491312576,-1.6010117744,0.0591985415,0.0591985415,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Li +mp-1211459,KLiErF5,-5.9606179994,-3.8175635667,0.0014861682,0.0014861682,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Er-F-K-Li,32.0,AB5CD_mP32_14_e_5e_e_e:Er-F-K-Li +mp-1201270,KErF4,-6.2574237184,-4.0367514473,0.0,-0.0067403596,GGA,P3_1,AB4C_hP108_144_6a_24a_6a:Er-F-K,108.0,AB4C_hP108_144_6a_24a_6a:Er-F-K +mp-683945,KEr3F10,-6.7299977281,-4.3065445101,0.0,-0.0079898773,GGA,Cm,A3B10C_mC224_8_8a8b_24a28b_8a:Er-F-K,112.0,"Invalid WP multiplicities - A3B10C_mC224_8_8a16b_24a56b_8a:Er-F-K, expected KEr5F17 to be KEr3F10" +mp-18451,KEr3F10,-6.7298887582,-4.3064355402,0.0001089699,-0.0078809074,GGA,Fm-3m,A3B10C_cF112_225_e_fh_c:Er-F-K,28.0,"Invalid WP multiplicities - A3B10C_cF112_225_e_f2h_c:Er-F-K, expected KEr3F16 to be KEr3F10" +mp-1211695,K3ErF6,-5.5550908835,-3.6183119379,0.0,-0.0064235258,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Er-F-K,20.0,AB6C3_mP20_14_a_3e_be:Er-F-K +mp-1206193,K3ErF6,-5.453529555,-3.5167506094,0.1015613285,0.0951378027,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Er-F-K,10.0,AB6C3_tI20_139_a_ei_bd:Er-F-K +mp-1206189,K3ErF6,-5.490735835,-3.5539568894,0.0643550485,0.0579315227,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Er-F-K,10.0,AB6C3_cF40_225_a_e_bc:Er-F-K +mp-27925,KEr2F7,-6.591884842,-4.2292659081,4.97421e-05,-0.0036593168,GGA,Pna2_1,A2B7C_oP80_33_4a_14a_2a:Er-F-K,80.0,"Invalid WP multiplicities - A2B7C_oP80_33_4a_17a_2a:Er-F-K, expected K2Er4F17 to be KEr2F7" +mp-558238,KEr2F7,-6.5919345841,-4.2293156502,0.0,-0.0037090589,GGA,Pnma,A2B7C_oP80_62_2cd_6c4d_2c:Er-F-K,80.0,"Invalid WP multiplicities - A2B7C_oP80_62_5c5d_22c28d_5c:Er-F-K, expected K5Er15F78 to be KEr2F7" +mp-17371,K2ErF5,-5.8241193272,-3.7808803845,0.0,-0.0056536306,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Er-F-K,32.0,"Invalid WP multiplicities - AB5C2_oP32_62_c_3c2d_d:Er-F-K, expected K2ErF7 to be K2ErF5" +mp-556171,CdP2Xe5F22,-3.6224397545,-1.8230096576,0.0,-0.0144080892,GGA,Pna2_1,AB22C2D5_oP120_33_a_22a_2a_5a:Cd-F-P-Xe,120.0,"Invalid WP multiplicities - AB22C2D5_oP120_33_a_84a_5a_19a:Cd-F-P-Xe, expected CdP5Xe19F84 to be CdP2Xe5F22" +mp-1217281,Th2AsNO,-9.044299046,-2.4902953378,0.0,-0.0755189527,GGA,P3m1,ABCD2_hP5_156_c_a_b_ab:As-N-O-Th,5.0,ABCD2_hP5_156_c_a_b_ab:As-N-O-Th +mp-1111106,K2NaGaF6,-4.891126629,-3.0870973275,0.0,-0.0546706078,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Na +mp-1111013,KNa2GaF6,-4.701928767,-2.8766868309,0.1639885933,0.1639885933,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Na +mp-1111269,K2TlInI6,-2.724889567,-1.1073572799,0.0824864793,0.0824864793,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-K-Tl +mp-1194646,Gd3Te2NO,-11.1588746764,-2.3305657989,0.0,-0.0494371143,GGA,Pnma,A3BCD2_oP28_62_3c_c_c_2c:Gd-N-O-Te,28.0,A3BCD2_oP28_62_3c_c_c_2c:Gd-N-O-Te +mp-1111108,K2NaAsF6,-4.763752952,-2.7966214123,0.0,-0.0126275939,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:As-F-K-Na +mp-1111018,KNa2AsF6,-4.561444489,-2.5731003146,0.2156213081,0.2156213081,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-K-Na,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-K-Na +mp-1194622,Ba5(IO6)2,-6.0895055971,-2.3051965479,0.0,-0.2868980866,GGA,Pnma,A5B2C12_oP76_62_5c_2c_4c4d:Ba-I-O,76.0,A5B2C12_oP76_62_5c_2c_4c4d:Ba-I-O +mp-1104459,BaIO5,-4.6640385014,-0.6460692377,0.8873533514,0.8873533514,GGA,P-1,ABC5_aP14_2_i_i_5i:Ba-I-O,14.0,ABC5_aP14_2_i_i_5i:Ba-I-O +mp-1182264,BaIO5,-4.9244835836,-0.9065143198,0.6269082692,0.6269082692,GGA,P-1,ABC5_aP14_2_i_i_5i:Ba-I-O,14.0,ABC5_aP14_2_i_i_5i:Ba-I-O +mp-1182344,BaIO5,-4.9236747707,-0.905705507,0.6277170821,0.6277170821,GGA,P-1,ABC5_aP14_2_i_i_5i:Ba-I-O,14.0,ABC5_aP14_2_i_i_5i:Ba-I-O +mp-726336,BaIO5,-4.8256557264,-0.8076864627,0.7257361264000001,0.7257361264000001,GGA,P-1,ABC5_aP14_2_i_i_5i:Ba-I-O,14.0,ABC5_aP14_2_i_i_5i:Ba-I-O +mp-551835,Ba2I2O,-4.843598251,-2.4973239928,0.0,-0.0577192377,GGA,Ibam,A2B2C_oI20_72_j_j_a:Ba-I-O,10.0,A2B2C_oI20_72_j_j_a:Ba-I-O +mp-30991,Ba(IO3)2,-5.3966833444,-1.5582566881000002,0.0,-0.1521159146,GGA,C2/c,AB2C6_mC36_15_e_f_3f:Ba-I-O,18.0,"Invalid WP multiplicities - AB2C6_mC36_15_e_f_4f:Ba-I-O, expected Ba(IO4)2 to be Ba(IO3)2" +mp-1106270,BaPd(IO3)4,-5.1922372411,-1.1726490919,0.0,-0.0055311057,GGA,P1,AB4C12D_aP18_1_a_4a_12a_a:Ba-I-O-Pd,18.0,AB4C12D_aP18_1_a_4a_12a_a:Ba-I-O-Pd +mp-725677,BaI2O,-4.0554528244,-1.6023537366,0.2847855772,0.2847855772,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ba-I-O,16.0,AB2C_oP16_62_c_2c_c:Ba-I-O +mp-29909,Ba4I6O,-4.25088568,-2.2997232644,0.0,-0.0275929645,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Ba-I-O,22.0,A4B6C_hP22_186_bc_2c_b:Ba-I-O +mp-1200574,Na4PuH7O9,-6.0403692088,-1.8581206269,0.0,-0.1124639089,GGA,P-1,A7B4C9D_aP42_2_7i_4i_9i_i:H-Na-O-Pu,42.0,A7B4C9D_aP42_2_7i_4i_9i_i:H-Na-O-Pu +mp-1195095,KCuSb3F18,-4.8877815107,-2.626771478,0.0,-0.036362587,GGA,Pnma,AB18CD3_oP92_62_a_4c7d_c_cd:Cu-F-K-Sb,92.0,AB18CD3_oP92_62_a_4c7d_c_cd:Cu-F-K-Sb +mp-1110839,K2CuSbF6,-4.660654144,-2.4688661831,0.1632270401,0.1632270401,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Sb +mp-1112195,K2HgSbF6,-4.253539966,-2.4413046356,0.1844955807,0.1844955807,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Sb +mp-573204,Cs2KBiF6,-4.7645025830000005,-2.9434459204000003,0.0,-0.0348495652,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Cs-F-K +mp-1211735,KAlFe2F2,-4.7790262067,-0.5091970180000001,1.4837539486,1.4837539486,GGA+U,P4/mbm,AB2C2D_tP12_127_a_e_g_c:Al-F-Fe-K,12.0,AB2C2D_tP12_127_a_e_g_c:Al-F-Fe-K +mp-1246515,Ca6Te3N2,-4.9688908641000005,-1.5019356995000002,0.0,-0.063481348,GGA,R-3c,A6B2C3_hR66_167_f_ab_e:Ca-N-Te,22.0,A6B2C3_hR66_167_f_ab_e:Ca-N-Te +mp-1247368,Ca4TeN4,-5.6379116839,-0.6921688935,0.3774094035,0.3774094035,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Te,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Te +mp-1246908,Ca4TeN4,-5.8583934878,-0.9126506974,0.1569275996,0.1569275996,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-Te,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-Te +mp-1204949,Ca6Te5N2O21,-6.54502882,-2.1831587749,0.0336682901,0.0336682901,GGA,P2_1/c,A6B2C21D5_mP136_14_6e_2e_21e_5e:Ca-N-O-Te,136.0,A6B2C21D5_mP136_14_6e_2e_21e_5e:Ca-N-O-Te +mp-1247353,Ca7TeN6,-5.4810263186,-0.6809209898,0.3400202274,0.3400202274,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Te,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Te +mp-1245712,Ca11(TeN5)2,-5.6184657767,-0.761371876,0.278601242,0.278601242,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Te,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Te +mp-1245586,Ca3TeN4,-5.8791752769,-0.5659146228,0.4557995031,0.4557995031,GGA,P31c,A3B4C_hP144_159_a2b8c_12c_3c:Ca-N-Te,144.0,A3B4C_hP144_159_a2b8c_12c_3c:Ca-N-Te +mp-1195772,KNb2PSe10,-5.314198722,-0.9080968427,0.0041108281,0.0041108281,GGA,Pc,AB2CD10_mP56_7_2a_4a_2a_20a:K-Nb-P-Se,56.0,AB2CD10_mP56_7_2a_4a_2a_20a:K-Nb-P-Se +mp-22517,EuYSi4N7,-8.8786800219,-1.4340485213,0.0,-0.0211137914,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Eu-N-Si-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Eu-N-Si-Y +mp-542699,C2Se3N2,-6.3446936918,0.1721713465,0.1721713465,0.1721713465,GGA,Pnma,A2B2C3_oP28_62_d_d_cd:C-N-Se,28.0,A2B2C3_oP28_62_d_d_cd:C-N-Se +mp-729525,CsC3(SeN)3,-6.4068174540000005,0.0010443518,0.3578064951,0.3578064951,GGA,P1,A3BC3D3_aP20_1_6a_2a_6a_6a:C-Cs-N-Se,20.0,A3BC3D3_aP20_1_6a_2a_6a_6a:C-Cs-N-Se +mp-569889,CsC3(SeN)3,-6.5003359745,-0.0924741687,0.2642879746,0.2642879746,GGA,C2/c,A3BC3D3_mC40_15_ef_e_ef_ef:C-Cs-N-Se,20.0,"Invalid WP multiplicities - A3BC3D3_mC40_15_2e2f_e_2e3f_2e2f:C-Cs-N-Se, expected CsC6(Se3N4)2 to be CsC3(SeN)3" +mp-1245795,CsCN,-6.5382223433,-0.3847014135,0.0,-0.1823235413,GGA,Cc,ABC_mC12_9_a_a_a:C-Cs-N,6.0,ABC_mC12_9_a_a_a:C-Cs-N +mp-1245792,CsCN,-6.5145838733,-0.3610629435,0.02363847,-0.1586850713,GGA,P2_12_12_1,ABC_oP24_19_2a_2a_2a:C-Cs-N,24.0,ABC_oP24_19_2a_2a_2a:C-Cs-N +mp-638137,CSeN,-6.7245950083,0.2957622901,0.2957622901,0.2957622901,GGA,P2_12_12_1,ABC_oP24_19_2a_2a_2a:C-N-Se,24.0,"Invalid WP multiplicities - ABC_oP24_19_4a_5a_6a:C-N-Se, expected C4Se6N5 to be CSeN" +mp-1029718,CsC2N3,-7.6638101394,-0.2701071174,0.0086436747,0.0086436747,GGA,P3_121,A2BC3_hP18_152_c_a_bc:C-Cs-N,18.0,A2BC3_hP18_152_c_a_bc:C-Cs-N +mp-639826,C2SeN2,-7.2745616835,0.450684779,0.450684779,0.450684779,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:C-N-Se,40.0,"Invalid WP multiplicities - A2B2C_oP40_61_7c_8c_c:C-N-Se, expected C7SeN8 to be C2SeN2" +mp-1106292,C2SeN2,-7.2690175175,0.456228945,0.456228945,0.456228945,GGA,Cmce,A2B2C_oC40_64_g_g_f:C-N-Se,20.0,A2B2C_oC40_64_g_g_f:C-N-Se +mp-1190574,HoPS,-6.4344946271,-1.7237742126,0.0,-0.0489675913,GGA,Pnma,ABC_oP24_62_2c_d_2c:Ho-P-S,24.0,ABC_oP24_62_2c_d_2c:Ho-P-S +mp-1193583,Ba(HoS2)2,-6.3721285389,-2.4250439464,0.0,-0.0662133192,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ba-Ho-S,28.0,AB2C4_oP28_62_c_2c_4c:Ba-Ho-S +mp-18532,HoPS4,-5.7787437717,-1.355158631,0.0,-0.0645895701,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Ho-P-S,48.0,"Invalid WP multiplicities - ABC4_tI96_142_ab_e_3g:Ho-P-S, expected HoPS6 to be HoPS4" +mp-559171,Ba3Ho2(PS4)4,-5.6009868106,-1.4906607923,0.0,-0.0247120928,GGA,Pbcn,A3B2C4D16_oP100_60_cd_d_2d_8d:Ba-Ho-P-S,100.0,"Invalid WP multiplicities - A3B2C4D16_oP100_60_3c3d_d_6d_61d:Ba-Ho-P-S, expected Ba9Ho2(P6S61)2 to be Ba3Ho2(PS4)4" +mp-1179913,PrTl(SO5)2,-6.3221274229,-1.6876034409,0.3565971554,0.3565971554,GGA,P2_1/c,A10BC2D_mP56_14_10e_e_2e_e:O-Pr-S-Tl,56.0,A10BC2D_mP56_14_10e_e_2e_e:O-Pr-S-Tl +mp-1216363,VCu3(SeS)2,-5.3718798438,-0.7910987476,0.0,-0.0010302019,GGA,Cmm2,A3B2C2D_oC16_35_ac_d_e_a:Cu-S-Se-V,8.0,A3B2C2D_oC16_35_ac_d_e_a:Cu-S-Se-V +mp-30297,SrVF5,-6.5670663361,-3.6626671417,0.0,-0.0075399918,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Sr-V,56.0,A5BC_mP56_14_10e_2e_2e:F-Sr-V +mp-1208625,SrLiVF6,-6.2580089217,-3.5745426778,0.0,-0.015072468,GGA+U,P-31c,A6BCD_hP18_163_i_c_b_d:F-Li-Sr-V,18.0,A6BCD_hP18_163_i_c_b_d:F-Li-Sr-V +mp-1216205,Y4Mn3NiO12,-8.843553127,-2.9189365498,0.0155653007,0.0155653007,GGA+U,P-1,A3BC12D4_aP20_2_abe_h_6i_2i:Mn-Ni-O-Y,20.0,"Invalid WP multiplicities - A3BC12D4_aP20_2_abe_h_12i_4i:Mn-Ni-O-Y, expected Y8Mn3NiO24 to be Y4Mn3NiO12" +mp-1077362,YMnNi4,-6.7244865933,-0.2663144058,0.0324618543,0.0324618543,GGA,F-43m,AB4C_cF24_216_a_e_c:Mn-Ni-Y,6.0,AB4C_cF24_216_a_e_c:Mn-Ni-Y +mp-1324685,Y5Mn3(NiO6)3,-8.2322288714,-2.5012216891,0.0819464602,0.0819464602,GGA+U,Pc,A3B3C18D5_mP58_7_3a_3a_18a_5a:Mn-Ni-O-Y,58.0,"Invalid WP multiplicities - A3B3C18D5_mP58_7_6a_6a_33a_9a:Mn-Ni-O-Y, expected Y3Mn2Ni2O11 to be Y5Mn3(NiO6)3" +mp-19192,Y2MnNiO6,-8.587755642,-2.8322329954,0.0,-0.0132575223,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Ni-O-Y,20.0,ABC6D2_mP20_14_a_b_3e_e:Mn-Ni-O-Y +mp-559348,BaZr(BO3)2,-8.685979321,-3.3354201831,0.0,-0.0227238665,GGA,R-3c,A2BC6D_hR60_167_c_a_f_b:B-Ba-O-Zr,20.0,A2BC6D_hR60_167_c_a_f_b:B-Ba-O-Zr +mp-19495,NdCo(BO2)5,-8.4444826524,-2.8715231703,0.0385199233,0.0385199233,GGA+U,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Co-Nd-O,68.0,"Invalid WP multiplicities - A5BCD10_mP68_14_6e_e_e_15e:B-Co-Nd-O, expected NdCo(B2O5)3 to be NdCo(BO2)5" +mp-1194570,TlBi(SO4)2,-6.3398497198,-1.8357212448,0.0,-0.0221489966,GGA,P-1,AB8C2D_aP48_2_2i_16i_4i_abcg:Bi-O-S-Tl,48.0,AB8C2D_aP48_2_2i_16i_4i_abcg:Bi-O-S-Tl +mp-727834,SrCd(IO2)4,-4.1681340882,-0.7338942094,0.6114003751,0.6114003751,GGA,Pnma,AB4C8D_oP112_62_2c_4c2d_8d_d:Cd-I-O-Sr,112.0,AB4C8D_oP112_62_2c_4c2d_8d_d:Cd-I-O-Sr +mp-36915,K6Fe2O5,-4.9082142962,-1.1900697071,0.3062015532,0.3062015532,GGA+U,Cm,A2B6C5_mC26_8_2a_2a2b_a2b:Fe-K-O,13.0,"Invalid WP multiplicities - A2B6C5_mC26_8_2a_2a3b_a2b:Fe-K-O, expected K8Fe2O5 to be K6Fe2O5" +mp-1196507,K9(FeO4)2,-4.8810508079,-1.3806748798,0.1863689669,0.1863689669,GGA+U,C2/c,A2B9C8_mC152_15_2f_2e8f_8f:Fe-K-O,76.0,A2B9C8_mC152_15_2f_2e8f_8f:Fe-K-O +mp-2352131,KFeO2,-6.5615980856,-1.6931486907000002,0.0445871114,0.0019009888,GGA+U,P-1,ABC2_aP8_2_i_i_2i:Fe-K-O,16.0,ABC2_oI16_71_e_g_fh:Fe-K-O +mp-759749,KFeO2,-6.5564040831,-1.6879546882,0.0497811139,0.0070949913,GGA+U,C2/m,ABC2_mC16_12_i_i_2i:Fe-K-O,16.0,ABC2_mC16_12_i_i_2i:Fe-K-O +mp-559464,KFeO2,-6.606185197,-1.7377358022,0.0,-0.0426861227,GGA+U,Pbca,ABC2_oP64_61_2c_2c_4c:Fe-K-O,64.0,"Invalid WP multiplicities - ABC2_oP64_61_9c_10c_23c:Fe-K-O, expected K10Fe9O23 to be KFeO2" +mp-1097023,KFeO3,-6.158917163,-1.2748199049,0.1620046693,0.1620046693,GGA+U,Pnma,ABC3_oP20_62_c_c_cd:Fe-K-O,20.0,ABC3_oP20_62_c_c_cd:Fe-K-O +mp-765192,K4Fe2O7,-5.7019600251,-1.3936170108,0.1225620019,0.1225620019,GGA+U,Pmc2_1,A2B4C7_oP78_26_3a3b_6a6b_4a5b6c:Fe-K-O,78.0,A2B4C7_oP78_26_6a6b_12a12b_10a8b12c:Fe-K-O +mp-28696,K3FeO4,-5.4949607331,-1.5464641211,0.0,-0.0295248697,GGA+U,Pnma,AB3C4_oP32_62_c_cd_2cd:Fe-K-O,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_2c2d_2cd:Fe-K-O, expected K6FeO4 to be K3FeO4" +mp-1224740,K7Fe5O16,-5.9878623279,-1.37107954,0.1112952369,0.1112952369,GGA+U,Pm,A5B7C16_mP28_6_2a3b_4a3b_4a4b4c:Fe-K-O,28.0,"Invalid WP multiplicities - A5B7C16_mP28_6_2a3b_4a3b_4a4b8c:Fe-K-O, expected K7Fe5O24 to be K7Fe5O16" +mp-504570,K3FeO3,-5.4501592607,-1.64426152,0.0,-0.0015556946,GGA+U,C2/m,AB3C3_mC28_12_i_ghi_ij:Fe-K-O,14.0,"Invalid WP multiplicities - AB3C3_mC28_12_i_2gh2i_i2j:Fe-K-O, expected K5FeO5 to be K3FeO3" +mp-1178165,K2FeO4,-5.7665468561,-1.4126077205,0.0229635761,0.0038264365,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Fe-K-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_7e_15e:Fe-K-O, expected K7FeO15 to be K2FeO4" +mp-19320,K2FeO4,-5.7895104321,-1.4355712966,0.0,-0.0191371396,GGA+U,Pnma,AB2C4_oP28_62_c_2c_2cd:Fe-K-O,28.0,AB2C4_oP28_62_c_2c_2cd:Fe-K-O +mp-1211726,K2Rb4Fe2O5,-5.1373364142,-1.4591502481,0.0,-0.0093334192,GGA+U,C2/m,A2B2C5D4_mC26_12_i_h_aj_gi:Fe-K-O-Rb,26.0,A2B2C5D4_mC26_12_i_h_aj_gi:Fe-K-O-Rb +mp-1223738,K7Rb5(Fe2O5)2,-5.1616004896,-1.4684299148,0.0046407128,0.0046407128,GGA+U,P1,A4B7C10D5_aP26_1_4a_7a_10a_5a:Fe-K-O-Rb,26.0,A4B7C10D5_aP26_1_4a_7a_10a_5a:Fe-K-O-Rb +mp-755480,KRbO,-3.4428919983,-1.0970180881,0.0939194733,0.0939194733,GGA,P4/nmm,ABC_tP6_129_c_c_a:K-O-Rb,6.0,ABC_tP6_129_c_c_a:K-O-Rb +mp-756889,KRbO,-3.4449274675,-1.0990535572,0.0918840042,0.0918840042,GGA,I4/mmm,ABC_tI24_139_h_i_j:K-O-Rb,12.0,ABC_tI24_139_h_i_j:K-O-Rb +mp-1224086,K3(FeO2)4,-6.6812395813,-1.5622534899,0.1218387063,0.1218387063,GGA+U,P-4m2,A4B3C8_tP15_115_acg_bg_jk:Fe-K-O,15.0,"Invalid WP multiplicities - A4B3C8_tP15_115_acg_bg_3j3k:Fe-K-O, expected K3(FeO6)4 to be K3(FeO2)4" +mp-1199147,K9Fe2O7,-4.9282067744,-1.5081815566,0.0071680815,0.0071680815,GGA+U,P2_13,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-K-O,72.0,A2B9C7_cP72_198_2a_3a2b_a2b:Fe-K-O +mp-1120752,K2Fe4O7,-7.1285158846,-1.6879232913000002,0.0383197905,0.0383197905,GGA+U,P-31m,A4B2C7_hP13_162_de_c_ak:Fe-K-O,13.0,"Invalid WP multiplicities - A4B2C7_hP13_162_de_c_a2k:Fe-K-O, expected K2Fe4O13 to be K2Fe4O7" +mp-1178199,K3(Fe11O17)2,-7.713406531,-1.6479984015,0.0585864832,0.0585864832,GGA+U,P1,A22B3C34_aP59_1_22a_3a_34a:Fe-K-O,59.0,A22B3C34_aP59_1_22a_3a_34a:Fe-K-O +mp-768179,K3(Fe11O17)2,-7.5819547176,-1.5165465881,0.1900382966,0.1900382966,GGA+U,Pm,A22B3C34_mP59_6_11c_2ab_ab16c:Fe-K-O,59.0,"Invalid WP multiplicities - A22B3C34_mP59_6_16c_2ab_ab19c:Fe-K-O, expected K3(Fe4O5)8 to be K3(Fe11O17)2" +mp-553960,K4Fe2O5,-5.8815093627,-1.6892292023,0.0,-0.0109770343,GGA+U,P2_1/c,A2B4C5_mP22_14_e_2e_a2e:Fe-K-O,22.0,"Invalid WP multiplicities - A2B4C5_mP22_14_e_6e_2a7e:Fe-K-O, expected K6FeO8 to be K4Fe2O5" +mp-558482,K17Fe5O16,-5.3232887303,-1.6292385321,0.0,-0.0007664075,GGA+U,Cm,A5B17C16_mC76_8_a2b_a8b_2a7b:Fe-K-O,38.0,"Invalid WP multiplicities - A5B17C16_mC76_8_a2b_a15b_2a14b:Fe-K-O, expected K31(FeO6)5 to be K17Fe5O16" +mp-1178195,KFe11O17,-7.7938496214,-1.6430102990000002,0.0689659575,0.0689659575,GGA+U,C2,A11BC17_mC116_5_11c_ab_ab16c:Fe-K-O,58.0,A11BC17_aP58_1_22a_2a_34a:Fe-K-O +mp-1330148,KFe11O17,-7.3067182993,-1.155878977,0.5560972796,0.5560972796,GGA+U,C2/c,A11BC17_mC116_15_a5f_e_e8f:Fe-K-O,58.0,"Invalid WP multiplicities - A11BC17_mC116_5_18c_ab_ab26c:Fe-K-O, expected K(Fe2O3)9 to be KFe11O17" +mp-31218,K3FeO2,-4.8424565721,-1.2266906598,0.0721804585,0.0721804585,GGA+U,P4_12_12,AB3C2_tP24_92_a_ab_b:Fe-K-O,24.0,AB3C2_tP24_92_a_ab_b:Fe-K-O +mp-18865,K3(FeO2)2,-6.0248681722,-1.5739799382,0.0598713825,0.0598713825,GGA+U,Fddd,A2B3C4_oF72_70_e_ae_cf:Fe-K-O,18.0,"Invalid WP multiplicities - A2B3C4_oF72_70_e_2a3e_2cf:Fe-K-O, expected K4FeO3 to be K3(FeO2)2" +mp-1184957,KRbO3,-3.722227012,-0.3360271813,0.766270069,0.766270069,GGA,Pm-3m,AB3C_cP5_221_b_c_a:K-O-Rb,5.0,AB3C_cP5_221_b_c_a:K-O-Rb +mp-12040,K5FeO4,-4.939522421,-1.5586453420000002,0.0,-0.018478993,GGA+U,Pbca,AB5C4_oP80_61_c_5c_4c:Fe-K-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_10c_4c:Fe-K-O, expected K10FeO4 to be K5FeO4" +mp-14679,K14Fe4O13,-5.2937010787,-1.6249067773,0.0,-0.0013612444,GGA+U,P2_1/c,A4B14C13_mP62_14_2e_7e_a6e:Fe-K-O,62.0,"Invalid WP multiplicities - A4B14C13_mP62_14_2e_12e_a6e:Fe-K-O, expected K24Fe4O13 to be K14Fe4O13" +mp-1111012,KNa2IrF6,-4.735303533,-2.3290277811,0.1755837103,0.1755837103,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ir-K-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ir-K-Na +mp-1111884,K2NaIrF6,-4.936096463,-2.5510333458,0.002085846,0.002085846,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Na +mp-1112245,K2ScCuF6,-5.564767838,-3.1526330906,0.0968541759,0.0968541759,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Sc +mp-35143,BaNbS3,-6.633025909,-1.7470999929,0.0030931842,0.0030931842,GGA,P6_3/mmc,ABC3_hP10_194_c_a_h:Ba-Nb-S,10.0,ABC3_hP10_194_c_a_h:Ba-Nb-S +mp-685968,Ba6Nb5S17,-6.46988551,-1.7434561323,0.0180427205,0.0180427205,GGA,P1,A6B5C17_aP28_1_6a_5a_17a:Ba-Nb-S,28.0,A6B5C17_aP28_1_6a_5a_17a:Ba-Nb-S +mp-583297,Ba6Nb4S13O3,-6.7549298522,-2.1190458444,0.0,-0.0614883942,GGA,Pnma,A6B4C3D13_oP104_62_2c2d_2cd_cd_3c5d:Ba-Nb-O-S,104.0,"Invalid WP multiplicities - A6B4C3D13_oP104_62_8c10d_5c4d_4c4d_12c36d:Ba-Nb-O-S, expected Ba28Nb13(S7O)12 to be Ba6Nb4S13O3" +mp-676580,Ba11(Nb3S14)2,-6.1489030427,-1.7591885793,0.0037894939,0.0037894939,GGA,P1,A11B6C28_aP45_1_11a_6a_28a:Ba-Nb-S,45.0,A11B6C28_aP45_1_11a_6a_28a:Ba-Nb-S +mp-531036,Ba8Nb7S24,-6.4888895233,-1.7366912771,0.0,-0.0146217486,GGA,P2_1/c,A8B7C24_mP78_14_4e_a3e_12e:Ba-Nb-S,78.0,"Invalid WP multiplicities - A8B7C24_mP78_14_13e_2a10e_44e:Ba-Nb-S, expected Ba13(NbS4)11 to be Ba8Nb7S24" +mp-559166,Sr2UFeO6,-8.458690968,-3.1766359286,0.012668334,0.012668334,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sr-U,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_8e_e_b:Fe-O-Sr-U, expected Sr2UFeO16 to be Sr2UFeO6" +mp-1218655,Sr3UFe2O9,-8.0829836407,-2.8949748946,0.0365687284,0.0365687284,GGA+U,Immm,A2B9C3D_oI60_71_abg_e3ln_fn_h:Fe-O-Sr-U,30.0,"Invalid WP multiplicities - A2B9C3D_oI60_71_abg_2e12l2n_2f2n_h:Fe-O-Sr-U, expected Sr6U(FeO15)2 to be Sr3UFe2O9" +mp-504549,UFeO4,-9.466019945,-2.8746556008,0.0312564642,0.0312564642,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Fe-O-U,24.0,AB4C_oP24_60_c_2d_c:Fe-O-U +mp-672339,Ag2Hg7(P4I3)2,-2.8501882252,-0.2442102811,0.0123048215,0.0123048215,GGA,C2/m,A2B7C6D8_mC46_12_f_aij_ij_2ij:Ag-Hg-I-P,23.0,"Invalid WP multiplicities - A2B7C6D8_mC46_12_e_a2i4j_2i2j_3i2j:Ag-Hg-I-P, expected Ag2Hg21(P7I6)2 to be Ag2Hg7(P4I3)2" +mp-569421,Hg9P5I6,-2.215829384,-0.2838376881,0.0,-0.0007062846,GGA,P2_1/c,A9B6C5_mP80_14_ad8e_6e_5e:Hg-I-P,80.0,"Invalid WP multiplicities - A9B6C5_mP80_14_2ad30e_22e_18e:Hg-I-P, expected Hg63(P9I11)4 to be Hg9P5I6" +mp-1229218,Ag6Hg(P10I)2,-4.5171159086,-0.0856745563,0.0015019348,0.0015019348,GGA,P2_1,A6BC2D20_mP58_4_6a_a_2a_20a:Ag-Hg-I-P,58.0,A6BC2D20_mP58_4_6a_a_2a_20a:Ag-Hg-I-P +mp-1212382,K3Tc2Cl8O3,-4.6488774158,-1.2938252818,0.4639643337,0.4639643337,GGA,P3_121,A8B3C3D2_hP48_152_4c_ac_bc_c:Cl-K-O-Tc,48.0,A8B3C3D2_hP48_152_4c_ac_bc_c:Cl-K-O-Tc +mp-734183,K3(TcCl4)2,-4.6524267597,-1.6646753743,0.0126349338,0.0126349338,GGA,P3_121,A8B3C2_hP39_152_4c_ac_c:Cl-K-Tc,39.0,A8B3C2_hP39_152_4c_ac_c:Cl-K-Tc +mp-7621,KTcO4,-7.3676318317,-2.1579997088,0.0,-0.4177782863,GGA,I4_1/a,AB4C_tI24_88_a_f_b:K-O-Tc,12.0,AB4C_tI24_88_a_f_b:K-O-Tc +mp-973267,KTcO3,-7.249670994,-1.9874501889,0.0,-0.0307404969,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Tc,5.0,AB3C_cP5_221_a_c_b:K-O-Tc +mp-1211356,KTcO2,-6.6424891225,-1.3013852939,0.3764447455,0.3764447455,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:K-O-Tc,16.0,AB2C_tI32_141_c_h_d:K-O-Tc +mp-1104587,Tc(ClO)6,-4.2347423754,-0.3015122852,0.4236921018,0.4236921018,GGA,P1,A6B6C_aP13_1_6a_6a_a:Cl-O-Tc,13.0,A6B6C_aP13_1_6a_6a_a:Cl-O-Tc +mp-1199033,K2TcCl5O,-4.7504367711,-1.7759024544000002,0.0135134068,0.0135134068,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-O-Tc,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-O-Tc +mp-27632,K2TcCl6,-4.3677885122,-1.7374933123,0.0,-0.0868002271,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Tc,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Tc +mp-28408,KTcCl3,-4.9165886265,-1.5132590521,0.050484929,0.050484929,GGA,Cc,A3BC_mC40_9_6a_2a_2a:Cl-K-Tc,20.0,A3BC_mC40_9_6a_2a_2a:Cl-K-Tc +mp-1112197,K2HgSbI6,-2.528997395,-0.9796296351,0.0709235085,0.0709235085,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Sb +mp-23774,K2LiAlH6,-3.19973158,-0.3765662939,0.0,-0.0285213277,GGA,R-3m,AB6C2D_hR60_166_ab_2h_2c_c:Al-H-K-Li,20.0,AB6C2D_hR60_166_ab_2h_2c_c:Al-H-K-Li +mp-24411,K2LiAlH6,-3.190512205,-0.3673469189,0.009219375,-0.0193019527,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-H-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Al-H-K-Li +mp-24034,K3AlH6,-3.0529833655,-0.3096704714,0.0,-0.0102850085,GGA,P2_1/c,AB6C3_mP20_14_a_3e_de:Al-H-K,20.0,AB6C3_mP20_14_a_3e_be:Al-H-K +mp-601275,K3AlH6,-2.9169684833,-0.1736555892,0.1360148822,0.1257298737,GGA,Pnnm,AB6C3_oP40_58_ac_6g_3g:Al-H-K,40.0,"Invalid WP multiplicities - AB6C3_oP40_58_2ac_20g_8g:Al-H-K, expected K16Al3H40 to be K3AlH6" +mp-23697,K3AlH6,-3.003161536,-0.2598486419,0.0498218295,0.039536821,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Al-H-K,10.0,AB6C3_tI20_139_a_ei_bd:Al-H-K +mp-1097006,KAlH3,-3.113799198,-0.1069686156,0.1844622622,0.1844622622,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-H-K,5.0,AB3C_cP5_221_b_c_a:Al-H-K +mp-31097,KAlH4,-3.3848254717,-0.3136789788,0.0,-0.0789955242,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-H-K,24.0,AB4C_oP24_62_c_2cd_c:Al-H-K +mp-644486,KAlH4,-3.3801483883,-0.3090018955,0.0046770833,-0.0743184408,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Al-H-K,12.0,AB4C_tI24_88_a_f_b:Al-H-K +mp-1223557,KU2SbSe8,-5.8197909675,-1.1706649651,0.0085389612,0.0085389612,GGA,Cm,ABC8D2_mC24_8_a_a_2a3b_b:K-Sb-Se-U,12.0,ABC8D2_mC24_8_a_a_2a3b_b:K-Sb-Se-U +mp-1207046,U2SbSe2,-6.579109888,0.1616189551,1.2667998,1.2667998,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Sb-Se-U,5.0,AB2C2_tP5_123_a_g_g:Sb-Se-U +mp-9937,USbSe,-7.3301673017,-1.0247263924,0.0,-0.0852819894,GGA,P4/nmm,ABC_tP6_129_a_c_c:Sb-Se-U,6.0,ABC_tP6_129_a_c_c:Sb-Se-U +mp-1212537,K2YbGe4O11,-6.4063777478,-2.1471503357,0.0715324839,0.0715324839,GGA,P2_1/m,A4B2C11D_mP72_11_4f_4e_6e8f_f:Ge-K-O-Yb,,A4B2C11D_mP72_11_4f_4e_6e8f_f:Ge-K-O-Yb +mp-1078079,AgPPd5,-5.1771770729,-0.2992817071,0.0065914575,0.0065914575,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Ag-P-Pd,7.0,ABC5_tP7_123_c_b_ai:Ag-P-Pd +mp-1190325,Ag2P2PdO7,-6.4801359521,-1.788600968,0.0,-0.0224221487,GGA,C2/c,A2B7C2D_mC48_15_f_e3f_f_a:Ag-O-P-Pd,24.0,A2B7C2D_mC48_15_f_e3f_f_c:Ag-O-P-Pd +mp-18156,KBaPSe4,-4.4966308593,-1.2928705301,0.0,-0.0108960674,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-K-P-Se,28.0,ABCD4_oP28_62_c_c_c_2cd:Ba-K-P-Se +mp-733581,PrH(SeO3)2,-6.465082314,-1.9805236117,0.0,-0.011593691,GGA,Pca2_1,AB6CD2_oP80_29_2a_12a_2a_4a:H-O-Pr-Se,80.0,AB6CD2_oP80_29_2a_12a_2a_4a:H-O-Pr-Se +mp-1025029,PrHSe,-5.5274393233,-1.6375915641,0.0,-0.1540999785,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:H-Pr-Se,6.0,ABC_hP6_194_c_d_a:H-Pr-Se +mp-555458,Ba4Fe2S4I5,-4.957705366,-1.7224671395,0.0221690119,0.0221690119,GGA,I4/m,A4B2C5D4_tI30_87_h_d_ah_h:Ba-Fe-I-S,15.0,"Invalid WP multiplicities - A4B2C5D4_tI30_87_h_d_a2h_h:Ba-Fe-I-S, expected Ba4Fe2S4I9 to be Ba4Fe2S4I5" +mp-1247216,LuMg2W3S8,-6.7127790814,-1.0208147782,0.4407056541,0.4407056541,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Lu-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Lu-Mg-S-W, expected LuMg2W3S16 to be LuMg2W3S8" +mp-1247041,LuMgWS4,-6.4886620964,-1.3993534868,0.3025483011,0.3025483011,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Lu-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Lu-Mg-S-W, expected LuMgWS12 to be LuMgWS4" +mp-1247166,Lu3Mg2WS8,-6.275425195,-1.7887722789,0.1535108645,0.1535108645,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Lu-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Lu-Mg-S-W, expected Lu3Mg2WS22 to be Lu3Mg2WS8" +mp-560110,BaUTiO6,-9.2655801936,-3.6226902787,0.0,-0.0092359672,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Ba-O-Ti-U,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_19e_e_e:Ba-O-Ti-U, expected BaUTiO19 to be BaUTiO6" +mp-1205557,Ba2UTiO6,-8.779798722,-3.5093003046,0.0,-0.003180349,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ti-U,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ti-U +mp-559514,Nd4S3NCl3,-6.5389326055,-2.414928584,0.0,-0.0014027243,GGA,P6_3mc,A3BC4D3_hP22_186_c_b_bc_c:Cl-N-Nd-S,22.0,"Invalid WP multiplicities - A3BC4D3_hP22_186_c_b_2b2c_c:Cl-N-Nd-S, expected Nd8S3NCl3 to be Nd4S3NCl3" +mp-554001,Nd3S3N,-7.1829381146,-2.1757542828,0.0,-0.0506681886,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-Nd-S,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_9c_7c:N-Nd-S, expected Nd9S7N to be Nd3S3N" +mp-28970,Nd2NCl3,-6.36025975,-2.4571931217,0.0,-0.064080424,GGA,Pbcn,A3BC2_oP24_60_cd_c_d:Cl-N-Nd,24.0,"Invalid WP multiplicities - A3BC2_oP24_60_c2d_c_d:Cl-N-Nd, expected Nd2NCl5 to be Nd2NCl3" +mp-570061,Nd3NCl6,-5.9379532622,-2.564737544,0.0087556688,0.0087556688,GGA,Pbca,A6BC3_oP80_61_6c_c_3c:Cl-N-Nd,80.0,"Invalid WP multiplicities - A6BC3_oP80_61_36c_c_20c:Cl-N-Nd, expected Nd20NCl36 to be Nd3NCl6" +mp-561469,Nd6S4N3Cl,-7.2094205464,-2.065655868,0.0282533314,0.0282533314,GGA,Pnma,AB3C6D4_oP56_62_c_3c_6c_4c:Cl-N-Nd-S,56.0,"Invalid WP multiplicities - AB3C6D4_oP56_62_c_10c_19c_12c:Cl-N-Nd-S, expected Nd19S12N10Cl to be Nd6S4N3Cl" +mp-1210334,NdN2Cl5,-4.3320242872,-0.4965467144,0.8774249603000001,0.8774249603000001,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-N-Nd,32.0,A5B2C_oP32_62_3cd_d_c:Cl-N-Nd +mp-17475,TmCu(WO4)2,-8.5645356337,-2.3924679468,0.0378104862,0.0378104862,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Cu-O-Tm-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Cu-O-Tm-W +mp-1247126,Dy3Mg2VS8,-6.1319473986,-1.9036312825,0.0723309819,0.0723309819,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Dy-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Dy-Mg-S-V, expected Dy3Mg2VS22 to be Dy3Mg2VS8" +mp-1247138,DyMgVS4,-6.2222585079,-1.6741481611,0.1055300873,0.1055300873,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Dy-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Dy-Mg-S-V, expected DyMgVS12 to be DyMgVS4" +mp-1247245,DyMg2V3S8,-6.3318387514,-1.4639341739,0.1194600585,0.1194600585,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Dy-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Dy-Mg-S-V, expected DyMg2V3S16 to be DyMg2V3S8" +mp-614325,Re2Pt(CO)12,-8.4272857719,-0.9804547298,0.2426495379,0.2426495379,GGA,P-1,A12B12CD2_aP27_2_6i_6i_a_i:C-O-Pt-Re,27.0,"Invalid WP multiplicities - A12B12CD2_aP27_2_10i_11i_a_i:C-O-Pt-Re, expected Re2Pt(C10O11)2 to be Re2Pt(CO)12" +mp-1196885,NdBMoO6,-8.5772199039,-2.8024063949,0.020049342,0.020049342,GGA+U,P2_1/c,ABCD6_mP36_14_e_e_e_6e:B-Mo-Nd-O,36.0,ABCD6_mP36_14_e_e_e_6e:B-Mo-Nd-O +mp-1216344,VGa(CuO2)2,-6.7762214400000005,-1.7640751553,0.0041731431,0.0041731431,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Cu-Ga-O-V,16.0,A2BC4D_mP8_10_bg_c_mn_e:Cu-Ga-O-V +mp-570621,V2Ga8Cu3,-4.4098183702,-0.2028798833,0.0,-0.0277161477,GGA,I-43d,A3B8C2_cI104_220_d_ce_c:Cu-Ga-V,52.0,"Invalid WP multiplicities - A3B8C2_cI104_220_d_7c8e_c:Cu-Ga-V, expected V2Ga62Cu3 to be V2Ga8Cu3" +mp-861866,KNdGeS4,-5.4082115607,-1.5443010319,0.0,-0.0291118482,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:Ge-K-Nd-S,14.0,"Invalid WP multiplicities - ABCD4_mP14_4_a_a_a_7a:Ge-K-Nd-S, expected KNdGeS7 to be KNdGeS4" +mp-1227064,CaUF6,-7.0596111363,-3.9638756744,0.0988274983,0.0988274983,GGA,P-6m2,AB6C_hP8_187_c_abhi_f:Ca-F-U,8.0,"Invalid WP multiplicities - AB6C_hP8_187_c_ab2hi_f:Ca-F-U, expected CaUF8 to be CaUF6" +mp-632402,LiCaUF8,-6.5911327945,-3.8186087494,0.0252789891,0.0252789891,GGA,I-4,AB8CD_tI22_82_c_2g_a_b:Ca-F-Li-U,11.0,AB8CD_tI22_82_c_2g_a_b:Ca-F-Li-U +mp-14169,Li4UF8,-6.0863001792,-3.4540745472,0.0269281887,0.0269281887,GGA,Pnma,A8B4C_oP52_62_2c3d_2d_c:F-Li-U,52.0,"Invalid WP multiplicities - A8B4C_oP52_62_2c8d_3d_c:F-Li-U, expected Li6UF18 to be Li4UF8" +mp-27403,LiUF5,-7.0021565275,-3.7510525683,0.0,-0.0138138123,GGA,I4_1/a,A5BC_tI112_88_5f_f_f:F-Li-U,56.0,A5BC_tI112_88_5f_f_f:F-Li-U +mp-27445,As(IF2)3,-3.799419599,-1.744610473,0.0,-0.0006506383,GGA,P-1,AB6C3_aP20_2_i_6i_3i:As-F-I,20.0,AB6C3_aP20_2_i_6i_3i:As-F-I +mp-559575,AsSe(IF2)3,-3.9056468911,-1.7198284604,0.0,-0.0817790451,GGA,P2_1/c,AB6C3D_mP44_14_e_6e_3e_e:As-F-I-Se,44.0,"Invalid WP multiplicities - AB6C3D_mP44_14_e_21e_10e_e:As-F-I-Se, expected AsSeI10F21 to be AsSe(IF2)3" +mp-555340,AsIF12,-4.103919015,-2.0274738461,0.0,-0.0310146275,GGA,Pa-3,AB12C_cP56_205_a_2d_b:As-F-I,56.0,"Invalid WP multiplicities - AB12C_cP56_205_a_27d_b:As-F-I, expected AsIF162 to be AsIF12" +mp-31020,AsI5F6,-3.4275695533,-1.4696675567000002,0.0,-0.0158254958,GGA,C2/c,AB6C5_mC48_15_e_3f_a2f:As-F-I,24.0,"Invalid WP multiplicities - AB6C5_mC48_15_e_6f_2c4f:As-F-I, expected As(I5F6)2 to be AsI5F6" +mp-651217,As(IF3)2,-3.7064731578,-1.5870592789,0.3397620744,0.3323694674,GGA,C2/m,AB6C2_mC36_12_i_2i2j_j:As-F-I,18.0,"Invalid WP multiplicities - AB6C2_mC36_12_i_4i7j_j:As-F-I, expected As(IF9)2 to be As(IF3)2" +mp-558244,As(IF3)2,-4.0462352322,-1.9268213533,0.0,-0.007392607,GGA,C2/m,AB6C2_mC36_12_i_2i2j_j:As-F-I,18.0,"Invalid WP multiplicities - AB6C2_mC36_12_i_4i6j_j:As-F-I, expected As(IF8)2 to be As(IF3)2" +mp-1205437,As(IF3)2,-3.9687393483,-1.8493254694,0.0774958839,0.0701032769,GGA,C2/m,AB6C2_mC36_12_i_2i2j_j:As-F-I,18.0,AB6C2_mC36_12_i_2i2j_j:As-F-I +mp-23569,AsSe6IF6,-4.0735149754,-1.3180273021,0.0,-0.0255905502,GGA,P2/c,AB6CD6_mP28_13_a_3g_f_3g:As-F-I-Se,28.0,"Invalid WP multiplicities - AB6CD6_mP28_13_a_3g_f_5g:As-F-I-Se, expected AsSe10IF6 to be AsSe6IF6" +mp-15787,KYbS2,-4.29590418,-1.5651774398,0.2757631813,0.2757631813,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Yb,,AB2C_hR12_166_a_c_b:K-S-Yb +mp-12376,KYbSiS4,-5.0168162736,-1.4995127415,0.0,-0.014130045,GGA,P2_1/m,AB4CD_mP14_11_e_2ef_e_e:K-S-Si-Yb,,AB4CD_mP14_11_e_2ef_e_e:K-S-Si-Yb +mp-1188762,TaNiP2,-7.8117210731,-0.6955912423,0.0,-0.0008118693,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ni-P-Ta,16.0,AB2C_oP16_62_c_2c_c:Ni-P-Ta +mp-1102041,TaNiP,-8.439715251700001,-0.7559763128,0.0,-0.004258341,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-P-Ta,12.0,ABC_oP12_62_c_c_c:Ni-P-Ta +mp-1104139,Ta5(NiP)4,-8.78831329,-0.7834944518,0.0,-0.0614858855,GGA,I4/m,A4B4C5_tI26_87_h_h_ah:Ni-P-Ta,13.0,A4B4C5_tI26_87_h_h_ah:Ni-P-Ta +mp-1043512,TaNiP2O9,-8.137223419,-2.5230143633,0.0941250368,0.0941250368,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Ta,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Ta +mp-1103001,Ta4NiP,-10.225328135,-0.4545698506,0.0389390038,0.0389390038,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Ni-P-Ta,12.0,ABC4_tP12_124_a_c_m:Ni-P-Ta +mp-1111198,K2NbTlF6,-5.340197541,-2.7248355524,0.2116923803,0.2116923803,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Nb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Nb-Tl +mp-1100942,V5(FeO6)2,-8.4848796597,-2.0785724332,0.2167509503,0.2167509503,GGA+U,P1,A2B12C5_aP76_1_8a_48a_20a:Fe-O-V,76.0,A2B12C5_aP76_1_8a_48a_20a:Fe-O-V +mp-1196228,V3(FeO6)2,-7.855080219099999,-1.7637846212,0.1922084282,0.1922084282,GGA+U,P2_12_12_1,A2B12C3_oP68_19_2a_12a_3a:Fe-O-V,68.0,A2B12C3_oP68_19_2a_12a_3a:Fe-O-V +mp-763248,V4FeO12,-8.1953648076,-2.0679583356,0.0952312609,0.0952312609,GGA+U,C2,AB12C4_mC34_5_a_6c_2c:Fe-O-V,17.0,"Invalid WP multiplicities - AB12C4_mC34_5_a_12c_4c:Fe-O-V, expected V8FeO24 to be V4FeO12" +mp-1286870,V2FeO4,-8.8186759114,-2.1865918836,0.0478176045,0.0478176045,GGA+U,C2,AB4C2_mC28_5_ab_4c_2c:Fe-O-V,14.0,AB4C2_aP14_1_2a_8a_4a:Fe-O-V +mp-1274785,V2FeO4,-8.84127954,-2.2091955121,0.0252139759,0.0252139759,GGA+U,C2/c,AB4C2_mC28_15_e_2f_ac:Fe-O-V,14.0,AB4C2_tI28_141_a_h_d:Fe-O-V +mp-1276134,V2FeO4,-8.7837823543,-2.1516983264,0.0827111616,0.0827111616,GGA+U,Imma,AB4C2_oI28_74_e_hi_ac:Fe-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_8_2a_4a4b_2a2b:Fe-O-V, expected V3FeO6 to be V2FeO4" +mp-1274527,V2FeO4,-8.7820642393,-2.1499802114,0.0844292766,0.0844292766,GGA+U,R-3m,AB4C2_hR42_166_c_ch_ad:Fe-O-V,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_4ij_ade:Fe-O-V, expected V2FeO6 to be V2FeO4" +mp-20167,V2FeO4,-8.8176056614,-2.1855216336,0.0488878545,0.0488878545,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Fe-O-V,14.0,AB4C2_aP14_1_2a_8a_4a:Fe-O-V +mp-1207898,V3(FeO4)2,-8.5638329596,-2.1203506273,0.0892186742,0.0892186742,GGA+U,P6_3mc,A2B8C3_hP26_186_2b_ab2c_c:Fe-O-V,26.0,A2B8C3_hP26_186_2b_ab2c_c:Fe-O-V +mp-558525,V4Fe2O13,-8.3722125184,-2.1836535739,0.0,-0.0342853697,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Fe-O-V,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_49e_14e:Fe-O-V, expected V2FeO7 to be V4Fe2O13" +mp-1200054,V4Fe2O13,-8.3683626017,-2.1798036572,0.0038499167,-0.030435453,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Fe-O-V,76.0,A2B13C4_mP76_14_2e_13e_4e:Fe-O-V +mp-675117,V5Fe3O16,-8.3771340846,-2.1281085279,0.0555690566,0.0555690566,GGA+U,P2,A3B16C5_mP24_3_abc_8e_abc2d:Fe-O-V,24.0,"Invalid WP multiplicities - A3B16C5_mP24_3_abc_16e_abc2d:Fe-O-V, expected V5Fe3O32 to be V5Fe3O16" +mp-504509,VFeO4,-8.2890743511,-2.0656273303,0.0189014843,0.0189014843,GGA+U,P-1,AB4C_aP36_2_3i_12i_3i:Fe-O-V,36.0,AB4C_aP36_2_3i_12i_3i:Fe-O-V +mp-18949,VFeO4,-8.290820495,-2.0673734742,0.0171553404,0.0171553404,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Fe-O-V,12.0,AB4C_oC24_63_a_fg_c:Fe-O-V +mp-850978,VFeO4,-8.2303547208,-2.0069077,0.0776211146,0.0776211146,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Fe-O-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2h3i_e:Fe-O-V, expected VFeO10 to be VFeO4" +mp-2628357,VFeO4,-8.2516560608,-2.02820904,0.0563197746,0.0563197746,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Fe-O-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_2h3i_e:Fe-O-V, expected VFeO10 to be VFeO4" +mp-1312206,V2FeO6,-8.4553078894,-2.1977561542,0.0189710203,0.0189710203,GGA+U,P-1,AB6C2_aP18_2_i_6i_2i:Fe-O-V,18.0,"Invalid WP multiplicities - AB6C2_aP18_2_i_9i_3i:Fe-O-V, expected V3FeO9 to be V2FeO6" +mp-757078,V2FeO6,-8.4546927961,-2.1971410608,0.0195861136,0.0195861136,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Fe-O-V,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_11f_f:Fe-O-V, expected V2FeO22 to be V2FeO6" +mp-775001,V3FeO8,-8.4747745342,-2.2001704417,0.0826559127,0.0826559127,GGA+U,P1,AB8C3_aP12_1_a_8a_3a:Fe-O-V,12.0,AB8C3_aP12_1_a_8a_3a:Fe-O-V +mp-771199,V3FeO8,-8.5141276008,-2.2395235083,0.043302846,0.043302846,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Fe-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Fe-O-V +mp-34864,V(FeO2)2,-8.3866415279,-1.8422553371,0.0979129354,0.0979129354,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Fe-O-V,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h2i_c:Fe-O-V, expected V(FeO5)2 to be V(FeO2)2" +mp-1219215,Sm2VFeO6,-8.7011155105,-3.0339923288,0.0,-0.0021373426,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sm-V,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Fe-O-Sm-V, expected Sm2VFeO10 to be Sm2VFeO6" +mp-757552,V12Fe6O35,-8.445282456,-2.1629974562,0.0655862921,0.0655862921,GGA+U,P1,A6B35C12_aP53_1_6a_35a_12a:Fe-O-V,53.0,A6B35C12_aP53_1_6a_35a_12a:Fe-O-V +mp-2215234,V5FeO12,-8.5773721883,-2.2857157386,0.0632097957,0.0632097957,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Fe-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Fe-O-V +mp-777454,V5FeO12,-8.5712808817,-2.2796244319,0.0693011024,0.0693011024,GGA+U,C2,AB12C5_mC36_5_a_6c_b2c:Fe-O-V,18.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_12c_b4c:Fe-O-V, expected V9FeO24 to be V5FeO12" +mp-867706,V16FeO41,-8.3415603212,-2.1928231576,0.0895893056,0.0895893056,GGA+U,Pmm2,AB41C16_oP58_25_a_acd2e2f2gh6i_ef3i:Fe-O-V,58.0,"Invalid WP multiplicities - AB41C16_oP58_25_a_acd4e4f3gh17i_2e2f8i:Fe-O-V, expected V40FeO95 to be V16FeO41" +mp-1101241,V14Fe5O32,-8.68232035,-2.254500158,0.0601651451,0.0601651451,GGA+U,P1,A5B32C14_aP51_1_5a_32a_14a:Fe-O-V,51.0,A5B32C14_aP51_1_5a_32a_14a:Fe-O-V +mp-1227524,BaTi(IO3)6,-5.5073774262,-1.3652596623,0.0,-0.0027298053,GGA,R3,AB6C18D_hR78_146_a_2b_6b_a:Ba-I-O-Ti,26.0,AB6C18D_hR78_146_a_2b_6b_a:Ba-I-O-Ti +mp-662803,K2Ba(Ge4O9)2,-6.7511787850000005,-2.2627514582,0.0039549982,0.0039549982,GGA,P-3c1,AB8C2D18_hP174_165_f_ab2d3g_g_9g:Ba-Ge-K-O,174.0,"Invalid WP multiplicities - AB8C2D18_hP174_165_f_2ab8d21g_g_101g:Ba-Ge-K-O, expected K6Ba3Ge145O606 to be K2Ba(Ge4O9)2" +mp-557584,K4Ba(GeO3)3,-6.0955423424,-2.286727478,0.0,-0.0415126231,GGA,C2,AB3C4D9_mC68_5_c_3c_2a2b2c_ab8c:Ba-Ge-K-O,34.0,"Invalid WP multiplicities - AB3C4D9_mC68_5_c_5c_2a2b4c_ab14c:Ba-Ge-K-O, expected K6Ba(GeO3)5 to be K4Ba(GeO3)3" +mp-17170,HoCu(WO4)2,-8.5650947646,-2.3841459571,0.0380019385,0.0380019385,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Cu-Ho-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Cu-Ho-O-W +mp-1212724,Ho2Cu(WO4)4,-8.7605388065,-2.4890794713,0.0362954445,0.0362954445,GGA+U,C2/c,AB2C16D4_mC92_15_e_f_8f_2f:Cu-Ho-O-W,46.0,AB2C16D4_mC92_15_e_f_8f_2f:Cu-Ho-O-W +mp-1224662,Ho5Cu(WO4)8,-8.9580326535,-2.6760689226,0.0179479883,0.0179479883,GGA+U,C2,AB5C32D8_mC92_5_a_b2c_16c_4c:Cu-Ho-O-W,46.0,AB5C32D8_mC92_5_a_b2c_16c_4c:Cu-Ho-O-W +mp-1229079,AgSbWO7,-6.965265738,-1.5106148928,0.0813866488,0.0813866488,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Ag-O-Sb-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e2j_c_b:Ag-O-Sb-W, expected AgSbWO13 to be AgSbWO7" +mp-1203936,ErC8N4Cl7,-5.8432369773,0.3909019762,1.1010084842,1.1010084842,GGA,P2_12_12,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Er-N,40.0,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Er-N +mp-1222778,Li2Ti(IO3)6,-5.3819587837,-1.322924241,0.0,-0.0129423494,GGA,P3,A6B2C18D_hP27_143_2d_ab_6d_c:I-Li-O-Ti,27.0,A6B2C18D_hP27_143_2d_ab_6d_c:I-Li-O-Ti +mp-1112842,Cs2KYBr6,-4.108782649,-2.2401981706,0.0,-0.0015314985,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-Cs-K-Y +mp-1110842,K2AgMoF6,-5.306704509,-2.5699167278,0.0034194286,0.0034194286,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Mo +mp-14036,KRb2RhF6,-4.81932312,-2.6288582433,0.0,-0.0296640513,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Rh +mp-1111432,K2RbRhF6,-4.768614741,-2.5651633768,0.051761629,0.051761629,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Rh,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Rh +mp-1196929,CdBiBF10,-4.9148457708,-2.5642642065,0.0,-0.0230575194,GGA,P2_1/c,ABCD10_mP52_14_e_e_e_10e:B-Bi-Cd-F,52.0,ABCD10_mP52_14_e_e_e_10e:B-Bi-Cd-F +mp-1111372,K2TlGaF6,-4.720692865,-2.8126517782,0.0361657865,0.0361657865,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Tl +mp-1206641,KTl2GaF6,-4.679387317,-2.6461218102,0.0,-0.0207849337,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Tl,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-K-Tl +mp-6686,K2NaInF6,-4.773805468,-2.9974173958,0.0,-0.0137477978,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Na +mp-1111582,K2RbTlF6,-4.331657084,-2.6283721922,0.0784231664,0.0784231664,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Tl +mp-1113872,KRb2TlF6,-4.390178709,-2.6998803046,0.0,-0.0171427651,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Tl +mp-510727,InTeO3F,-5.7586816717,-1.9842592176,0.0,-0.0214620474,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-In-O-Te,24.0,ABC3D_mP24_14_e_e_3e_e:F-In-O-Te +mp-1204544,InTe2O5F,-5.7648652322,-1.8000632277,0.021293199,0.021293199,GGA,C222_1,ABC5D2_oC72_20_ab_c_5c_2c:F-In-O-Te,36.0,ABC5D2_oC72_20_ab_c_5c_2c:F-In-O-Te +mp-981396,Y(BIr)4,-8.1764997878,-0.5611914637000001,0.0,-0.0558832671,GGA,P4_2/n,A4B4C_tP18_86_g_g_a:B-Ir-Y,18.0,A4B4C_tP18_86_g_g_a:B-Ir-Y +mp-1215947,YLu(BIr)8,-8.0143190306,-0.5070951839,0.0267232328,0.0267232328,GGA,P-4m2,A8B8CD_tP18_115_jk_jk_a_c:B-Ir-Lu-Y,18.0,"Invalid WP multiplicities - A8B8CD_tP18_115_2jk_2jk_c_a:B-Ir-Lu-Y, expected YLu(BIr)12 to be YLu(BIr)8" +mp-14622,Y(BIr)2,-8.244071484,-0.7436468810000001,0.0,-0.0617028375,GGA,Fddd,A2B2C_oF40_70_e_f_a:B-Ir-Y,10.0,A2B2C_oF40_70_e_f_a:B-Ir-Y +mp-1187861,YLuIr2,-8.0535214625,-0.8874489642000001,0.028740395,0.028740395,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Lu-Y,4.0,A2BC_cF16_225_c_a_b:Ir-Lu-Y +mp-1024990,LuB2Ir3,-8.0885501233,-0.6893773564,0.0,-0.1697809676,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Lu,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Lu +mp-31098,YB2Ir3,-8.4113974317,-0.6879712325,0.0,-0.0633517733,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Ir-Y,6.0,A2B3C_hP6_191_c_g_a:B-Ir-Y +mp-1002083,CsKICl,-3.2791604025,-1.9472343202,0.062261195,0.062261195,GGA,P4/mmm,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-K,4.0,ABCD_tP4_123_a_c_d_b:Cl-Cs-I-K +mp-1200804,ScBr2O7,-4.9173568997,-0.5108222254,0.5980646763,0.5980646763,GGA,Pnnm,A2B7C_oP40_58_2g_3g2h_g:Br-O-Sc,40.0,A2B7C_oP40_58_2g_3g2h_g:Br-O-Sc +mp-626193,Sc(HO)3,-6.7045906046,-2.2259172655,0.016475055,0.016475055,GGA,R-3,A3B3C_hR84_148_2f_2f_ae:H-O-Sc,28.0,"Invalid WP multiplicities - A3B3C_hR84_148_5f_5f_ae:H-O-Sc, expected Sc2(HO)15 to be Sc(HO)3" +mp-626194,Sc(HO)3,-6.7063585239,-2.2276851848,0.0147071357,0.0147071357,GGA,R-3,A3B3C_hR84_148_2f_2f_ae:H-O-Sc,28.0,"Invalid WP multiplicities - A3B3C_hR84_148_5f_5f_a2e:H-O-Sc, expected Sc7(HO)30 to be Sc(HO)3" +mp-546279,ScBrO,-7.5010784583,-3.2236830762,0.0,-0.0709968296,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-O-Sc,6.0,ABC_oP6_59_a_a_b:Br-O-Sc +mp-989190,ScBrO,-7.4295826867,-3.1521873046,0.0714957717,0.0004989421,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Sc,6.0,ABC_tP6_129_c_a_c:Br-O-Sc +mp-1197297,ScH11(BrO3)2,-5.3502230795,-1.5282908531,0.0,-0.0132363566,GGA,P-1,A2B11C6D_aP40_2_2i_11i_6i_i:Br-H-O-Sc,40.0,A2B11C6D_aP40_2_2i_11i_6i_i:Br-H-O-Sc +mp-625199,ScHO2,-7.6614937362,-2.7568505931,0.2057954525,0.2048546752,GGA,P1,AB2C_aP8_1_2a_4a_2a:H-O-Sc,8.0,AB2C_aP8_1_2a_4a_2a:H-O-Sc +mp-1101379,ScHO2,-7.8092944912,-2.9046513481,0.0579946975,0.0570539202,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:H-O-Sc,8.0,"Invalid WP multiplicities - AB2C_mP8_11_e_3e_e:H-O-Sc, expected ScHO3 to be ScHO2" +mp-625150,ScHO2,-7.8672891888,-2.9626460456,0.0,-0.0009407773,GGA,Cmc2_1,AB2C_oC16_36_a_2a_a:H-O-Sc,8.0,AB2C_oC16_36_a_2a_a:H-O-Sc +mp-625663,ScHO2,-7.8618657294,-2.9572225862,0.0054234594,0.004482682,GGA,Pnma,AB2C_oP16_62_c_2c_c:H-O-Sc,16.0,AB2C_oP16_62_c_2c_c:H-O-Sc +mp-1101377,ScHO2,-7.81468071,-2.9100375669,0.0526084787,0.0516677014,GGA,R-3m,AB2C_hR12_166_a_c_b:H-O-Sc,4.0,AB2C_hR12_166_a_c_b:H-O-Sc +mp-755318,ScHO2,-7.8125310012,-2.9078878581,0.0547581875,0.0538174102,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:H-O-Sc,8.0,AB2C_hP8_194_c_f_a:H-O-Sc +mp-1179540,ScBr3O7,-4.7526586459,-0.6055336392,0.4555057702,0.4555057702,GGA,P2/c,A3B7C_mP22_13_fg_e3g_e:Br-O-Sc,22.0,A3B7C_mP22_13_fg_e3g_e:Br-O-Sc +mp-1191759,ScBr3O7,-4.9741036959,-0.8269786892000001,0.2340607202,0.2340607202,GGA,P2/c,A3B7C_mP22_13_fg_e3g_e:Br-O-Sc,22.0,A3B7C_mP22_13_fg_e3g_e:Br-O-Sc +mp-545728,PrBi2IO4,-6.4974222775,-2.2821716263000003,0.0,-0.0678020477,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Pr,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Pr +mp-1209646,PrI3O10,-5.4384395368,-1.2478758284,0.1350495706,0.1350495706,GGA,P2_1,A3B10C_mP28_4_3a_10a_a:I-O-Pr,28.0,A3B10C_mP28_4_3a_10a_a:I-O-Pr +mp-29254,PrIO,-6.7760997367,-3.0424461312,0.0,-0.1974793062,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-O-Pr,6.0,ABC_tP6_129_c_a_c:I-O-Pr +mp-1206474,Pr2I2O,-4.664973406,-1.1739268217,1.1334686132,1.1334686132,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-Pr,5.0,A2BC2_tP5_123_g_a_g:I-O-Pr +mp-1210994,Pr7(IO6)3,-6.7564288016,-2.223327511,0.4694887744,0.4694887744,GGA,P6_3/m,A3B18C7_hP56_176_h_6h_c2h:I-O-Pr,56.0,A3B18C7_hP56_176_h_6h_c2h:I-O-Pr +mp-556346,Pr(IO3)3,-5.6217045225,-1.4893042759,0.0,-0.1474594488,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Pr,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_9e_30e_e:I-O-Pr, expected Pr(I3O10)3 to be Pr(IO3)3" +mp-1193508,Pr(IO3)3,-5.1296393177,-0.9972390711,0.4920652048,0.344605756,GGA,Pmmn,A3B9C_oP26_59_be_aefg_a:I-O-Pr,26.0,A3B9C_oP26_59_be_aefg_a:I-O-Pr +mp-1210691,PrIO9,-5.1657376702,-0.5498767151,0.6028583067000001,0.6028583067000001,GGA,P2_1/c,AB9C_mP44_14_e_9e_e:I-O-Pr,44.0,AB9C_mP44_14_e_9e_e:I-O-Pr +mp-556755,K2Cu3Ge5O14,-6.2854249467,-1.8317916493,0.0350102573,0.0350102573,GGA,P-1,A3B5C2D14_aP24_2_ai_d2i_i_7i:Cu-Ge-K-O,24.0,"Invalid WP multiplicities - A3B5C2D14_aP24_2_a2i_d2i_i_13i:Cu-Ge-K-O, expected K2Cu5Ge5O26 to be K2Cu3Ge5O14" +mp-1213689,CsCe(PO3)4,-7.7864434283,-2.9063342012,0.0,-0.0152440815,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Ce-Cs-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:Ce-Cs-O-P +mp-1210051,NdAg(WO4)2,-8.4533182004,-2.3624454016,0.0,-0.0062945863,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Nd-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Nd-O-W +mp-1179331,UCrO9,-7.240587668,-1.2892553151,0.5912077657,0.5912077657,GGA+U,P2_1,AB9C_mP44_4_2a_18a_2a:Cr-O-U,44.0,AB9C_mP44_4_2a_18a_2a:Cr-O-U +mp-1200743,UCrO9,-7.2008581027,-1.2495257499,0.630937331,0.630937331,GGA+U,P2_1,AB9C_mP44_4_2a_18a_2a:Cr-O-U,44.0,AB9C_mP44_4_2a_18a_2a:Cr-O-U +mp-22172,UCr2O6,-9.5979218167,-2.9004065703,0.0206256367,0.0206256367,GGA+U,P-31m,A2B6C_hP9_162_c_k_b:Cr-O-U,9.0,A2B6C_hP9_162_c_k_b:Cr-O-U +mp-641100,UTl2Cr2O10,-7.7683125534,-2.1156673297,0.0354986596,0.0354986596,GGA+U,Pca2_1,A2B10C2D_oP120_29_4a_20a_4a_2a:Cr-O-Tl-U,120.0,"Invalid WP multiplicities - A2B10C2D_oP120_29_14a_77a_13a_2a:Cr-O-Tl-U, expected U2Tl13Cr14O77 to be UTl2Cr2O10" +mp-17151,UCrO4,-9.9617761017,-3.1732407142,0.0,-0.0185608588,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Cr-O-U,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_10d_c:Cr-O-U, expected UCrO20 to be UCrO4" +mp-1213324,CsTb(WO4)2,-8.5666465467,-2.6483516615,0.0,-0.0196730607,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Tb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Tb-W +mp-865440,U6Co12Ge4C,-8.2172225522,-0.3576986168,0.0,-0.0487885957,GGA,Im-3m,AB12C4D6_cI46_229_a_h_c_e:C-Co-Ge-U,23.0,AB12C4D6_cI46_229_a_h_c_e:C-Co-Ge-U +mp-1079701,UCoC2,-9.3733490137,-0.1590843163,0.0,-0.0249775619,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Co-U,8.0,A2BC_tP8_129_2c_a_c:C-Co-U +mp-1226575,Co12Ge4C,-6.6823769941,-0.0341069675,0.0716880943,0.0716880943,GGA,P4/mmm,AB12C4_tP17_123_a_ef2gi_2h:C-Co-Ge,17.0,"Invalid WP multiplicities - AB12C4_tP17_123_a_2e2f2g4i_2h:C-Co-Ge, expected Co28Ge4C to be Co12Ge4C" +mp-1211265,RbDy(SO6)2,-6.0399489445,-1.4636686207,0.4532069437,0.4532069437,GGA,P2_1/c,AB12CD2_mP64_14_e_12e_e_2e:Dy-O-Rb-S,64.0,AB12CD2_mP64_14_e_12e_e_2e:Dy-O-Rb-S +mp-1209636,RbDyS2O9,-6.7070728083,-2.2162713431,0.1429601209,0.1429601209,GGA,P2_1/c,AB9CD2_mP52_14_e_9e_e_2e:Dy-O-Rb-S,52.0,AB9CD2_mP52_14_e_9e_e_2e:Dy-O-Rb-S +mp-7046,RbDyS2,-5.5636939575,-2.0986387959,0.0,-0.1819116038,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Rb-S,4.0,ABC2_hR12_166_a_b_c:Dy-Rb-S +mp-18109,RbDy(SO4)2,-7.0086449473,-2.5558340859,0.0,-0.0082625021,GGA,Pnna,AB8CD2_oP48_52_c_4e_d_e:Dy-O-Rb-S,48.0,AB8CD2_oP48_52_c_4e_d_e:Dy-O-Rb-S +mp-1194930,PrTlP2S7,-5.3361705793,-1.0702339445,0.0,-0.0191870294,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:P-Pr-S-Tl,44.0,A2BC7D_mP44_14_2e_e_7e_e:P-Pr-S-Tl +mp-1223032,Li9Nd2(PS4)5,-5.0467436799,-1.2547406094,0.0,-8.03821e-05,GGA,C2/c,A9B2C5D20_mC144_15_c4f_f_e2f_10f:Li-Nd-P-S,72.0,A9B2C5D20_mC144_15_a4f_f_e2f_10f:Li-Nd-P-S +mp-754415,Tb3NbO7,-9.0744519418,-3.7443406401,0.0131283508,0.0131283508,GGA,C222_1,AB7C3_oC44_20_a_3b2c_ac:Nb-O-Tb,22.0,"Invalid WP multiplicities - AB7C3_oC44_20_a_6b3c_a2c:Nb-O-Tb, expected Tb5NbO12 to be Tb3NbO7" +mp-771834,Tb3NbO7,-9.0669405898,-3.7368292881,0.0206397028,0.0206397028,GGA,Pnma,AB7C3_oP44_62_c_c3d_cd:Nb-O-Tb,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_4c9d_3c2d:Nb-O-Tb, expected Tb7NbO22 to be Tb3NbO7" +mp-756135,Tb3NbO7,-9.0490367805,-3.7189254788,0.0385435122,0.0385435122,GGA,Cmcm,AB7C3_oC44_63_a_cgh_bg:Nb-O-Tb,22.0,"Invalid WP multiplicities - AB7C3_oC44_63_a_c2g2h_b2g:Nb-O-Tb, expected Tb5NbO13 to be Tb3NbO7" +mp-754174,Tb2Nb2O7,-9.211290195,-3.3841844442,0.0922746492,0.0922746492,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Nb-O-Tb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Nb-O-Tb, expected TbNbO10 to be Tb2Nb2O7" +mp-756852,TbNbO4,-9.2728798742,-3.51914221,0.0492647242,-0.0506119082,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Nb-O-Tb,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Nb-O-Tb, expected TbNbO11 to be TbNbO4" +mp-12647,TbNbO4,-9.3221445983,-3.5684069342,0.0,-0.0998766323,GGA,C2/c,AB4C_mC24_15_e_2f_e:Nb-O-Tb,12.0,AB4C_mC24_15_e_2f_e:Nb-O-Tb +mp-780033,TbNbO4,-9.3052232783,-3.5514856142,0.01692132,-0.0829553123,GGA,P4/nbm,AB4C_tP12_125_c_m_b:Nb-O-Tb,12.0,AB4C_tP12_125_c_m_b:Nb-O-Tb +mp-755781,TbNbO4,-9.2435340333,-3.4897963692,0.078610565,-0.0212660673,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Nb-O-Tb,12.0,AB4C_tI24_141_a_h_b:Nb-O-Tb +mp-780453,Tb4Nb4O11,-9.2353361342,-3.2692171666,0.0330249652,0.0330249652,GGA,Pbam,A4B11C4_oP76_55_ghi_e2g2h3i_2g2h:Nb-O-Tb,76.0,"Invalid WP multiplicities - A4B11C4_oP76_55_3g4h2i_2e8g6h12i_8g5h:Nb-O-Tb, expected Tb13Nb11O40 to be Tb4Nb4O11" +mp-1204213,Tb2Nb2S7O30,-7.3125241151,-2.2679594155,0.0065468601,0.0065468601,GGA,P-42_1m,A2B30C7D2_tP82_113_e_5e5f_cef_e:Nb-O-S-Tb,82.0,A2B30C7D2_tP82_113_e_5e5f_cef_e:Nb-O-S-Tb +mp-1223123,Li2Ta2W2O13,-8.6457270632,-2.4480105,0.1211494949,0.1211494949,GGA+U,Imm2,A2B13C2D2_oI38_44_c_2a3b2e_d_c:Li-O-Ta-W,19.0,"Invalid WP multiplicities - A2B13C2D2_oI38_44_c_2a3b4e_d_c:Li-O-Ta-W, expected Li2Ta2W2O21 to be Li2Ta2W2O13" +mp-631330,LiTaW2,-9.3648341475,0.5559060917,0.6179066617,0.6179066617,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ta-W,4.0,ABC2_cF16_225_a_b_c:Li-Ta-W +mp-774242,LiTaWO6,-8.8936253867,-2.6264072762,0.0854838296,0.0854838296,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_b:Li-O-Ta-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_b:Li-O-Ta-W, expected LiTaWO12 to be LiTaWO6" +mp-768074,LiTaWO6,-8.9293319192,-2.6621138087,0.0497772971,0.0497772971,GGA+U,P4_122,AB6CD_tP36_91_a_2c2d_a_b:Li-O-Ta-W,36.0,"Invalid WP multiplicities - AB6CD_tP36_91_a_8c10d_a_b:Li-O-Ta-W, expected LiTaWO28 to be LiTaWO6" +mp-1222430,LiTaWO7,-8.36963474,-2.2344695695,0.2062324258,0.2062324258,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Li-O-Ta-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e4j_c_b:Li-O-Ta-W, expected LiTaWO21 to be LiTaWO7" +mp-640163,Co2W4C,-10.820642995,-0.0666684232,0.0002355717,0.0002355717,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Co-W,28.0,"Invalid WP multiplicities - AB2C4_cF112_227_c_e_3d3f:C-Co-W, expected Co2W12C to be Co2W4C" +mp-1228936,Al3WC4,-6.99378037,0.6449095913,0.7352326730000001,0.7352326730000001,GGA,Pmm2,A3B4C_oP8_25_a2b_2c2d_a:Al-C-W,8.0,A3B4C_oP8_25_a2b_2c2d_a:Al-C-W +mp-1228977,Al3W3C4,-8.308353797,0.394224218,0.5131237502,0.5131237502,GGA,Pmm2,A3B4C3_oP10_25_2ab_2c2d_a2b:Al-C-W,10.0,A3B4C3_oP10_25_2ab_2c2d_a2b:Al-C-W +mp-1079892,AlW2C,-9.6945714112,0.0280540344,0.1371330063,0.1371330063,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Al-C-W,8.0,ABC2_hP8_194_c_a_f:Al-C-W +mp-1226205,Co3W9C4,-10.6704774559,0.2584467581,0.3403829028,0.3403829028,GGA,P6_3/mmc,A4B3C9_hP32_194_cg_h_hk:C-Co-W,32.0,A4B3C9_hP32_194_cg_h_hk:C-Co-W +mp-1199098,Co3(W5C2)2,-10.7770470982,0.2712421756,0.3483585471,0.3483585471,GGA,P6_3/mmc,A4B3C10_hP34_194_cg_h_ahk:C-Co-W,34.0,A4B3C10_hP34_194_cg_h_ahk:C-Co-W +mp-1229047,AlCoW,-8.153766355,-0.21642507,0.1912259483,0.1912259483,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-W, expected Al2Co2W3 to be AlCoW" +mp-1201626,Al3Co(W3C)3,-10.2735838434,-0.1076954789,0.0447932148,0.0447932148,GGA,P6_3/mmc,A3B3CD9_hP32_194_h_g_a_hk:Al-C-Co-W,32.0,A3B3CD9_hP32_194_h_g_a_hk:Al-C-Co-W +mp-1226155,Co6W20C7,-11.1576600076,-0.0542306192,0.0178470197,0.0178470197,GGA,P-6m2,A7B6C20_hP33_187_an_jk_hjk2n:C-Co-W,33.0,"Invalid WP multiplicities - A7B6C20_hP33_187_an_jk_hjk3n:C-Co-W, expected Co6W26C7 to be Co6W20C7" +mp-1192636,Co3W3C,-9.9126811164,0.0056059646,0.0885766321,0.0885766321,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Co-W,28.0,AB3C3_cF112_227_c_de_f:C-Co-W +mp-1228830,AlWC2,-8.319890955,0.4703683063,0.571149452,0.571149452,GGA,Pmm2,AB2C_oP4_25_a_bd_c:Al-C-W,4.0,AB2C_oP4_25_a_bd_c:Al-C-W +mp-1228839,AlW3C4,-9.7599300675,0.1818984937,0.2931377035,0.2931377035,GGA,Pmm2,AB4C3_oP8_25_a_2b2d_a2c:Al-C-W,8.0,AB4C3_oP8_25_a_2b2d_a2c:Al-C-W +mp-1228818,AlWC,-7.9758165067,0.6683073442,0.7986065196000001,0.7986065196000001,GGA,Pmm2,ABC_oP3_25_b_c_a:Al-C-W,3.0,ABC_oP3_25_b_c_a:Al-C-W +mp-1227520,Bi3Sb(WO6)2,-7.565662465,-1.9586072636,0.0082144928,0.0082144928,GGA+U,P1,A3B12CD2_aP18_1_3a_12a_a_2a:Bi-O-Sb-W,18.0,A3B12CD2_aP18_1_3a_12a_a_2a:Bi-O-Sb-W +mp-1227556,BiSbWO6,-7.5744522167,-1.9513685647,0.013863935,0.013863935,GGA+U,C2,AB6CD_mC36_5_c_6c_c_ab:Bi-O-Sb-W,18.0,AB6CD_mC36_5_c_6c_c_ab:Bi-O-Sb-W +mp-1216811,TiVCuS4,-6.6253583521,-1.250443463,0.0236900307,0.0236900307,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cu-S-Ti-V,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cu-S-Ti-V, expected TiVCuS8 to be TiVCuS4" +mp-1208409,Ta3CoS6,-8.023012054,-1.2729770654,0.0,-0.008993951,GGA,P6_322,AB6C3_hP20_182_c_i_af:Co-S-Ta,20.0,AB6C3_hP20_182_c_i_af:Co-S-Ta +mp-1218086,Ta6Co(CS2)3,-9.2027837531,-1.0303037998,0.0346466259,0.0346466259,GGA,C2/m,A3BC6D6_mC32_12_ag_d_ij_ij:C-Co-S-Ta,16.0,"Invalid WP multiplicities - A3BC6D6_mC32_12_ag_c_2i2j_2i2j:C-Co-S-Ta, expected Ta12Co(CS4)3 to be Ta6Co(CS2)3" +mp-29580,Ta9(CoS3)2,-9.5045720624,-0.9307289176,0.0,-0.0476896198,GGA,P-62m,A2B6C9_hP34_189_h_fgi_ijk:Co-S-Ta,34.0,"Invalid WP multiplicities - A2B6C9_hP34_189_h_2f3g3i_4i4j4k:Co-S-Ta, expected Ta72Co4S33 to be Ta9(CoS3)2" +mp-1189705,Ta9(CoS3)2,-9.4995640612,-0.9257209164,0.0050080012,-0.0426816187,GGA,P-62m,A2B6C9_hP17_189_c_fg_fk:Co-S-Ta,17.0,A2B6C9_hP17_189_c_fg_fk:Co-S-Ta +mp-16595,K3DySi2O7,-7.19333231,-3.0844522546,0.0,-0.0571939808,GGA,P6_3/mcm,AB3C7D2_hP78_193_ad_bck_gkl_k:Dy-K-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_193_2ad_2bc2k_gkl_k:Dy-K-O-Si, expected K16Dy4(Si2O7)3 to be K3DySi2O7" +mp-1184954,KDyO3,-6.408429308,-2.2969789239,0.2649652227,0.2649652227,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Dy-K-O,5.0,ABC3_cP5_221_b_a_c:Dy-K-O +mp-1178141,KDyO2,-7.0148276175,-3.1121868151,0.0,-0.1375529263,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-K-O,4.0,ABC2_hR12_166_a_b_c:Dy-K-O +mp-1018710,Hf2TaN3,-10.6966713883,-1.2330646442,0.5034854278,0.5034854278,GGA,P6/mmm,A2B3C_hP6_191_d_f_a:Hf-N-Ta,6.0,A2B3C_hP6_191_d_f_a:Hf-N-Ta +mp-1018718,HfTa2N3,-10.9183397183,-1.1379682075,0.4065979339,0.4065979339,GGA,P6/mmm,AB3C2_hP6_191_a_f_d:Hf-N-Ta,6.0,AB3C2_hP6_191_a_f_d:Hf-N-Ta +mp-1103592,HfTaNO3,-10.589833995,-3.0912460419,0.0531695712,0.0531695712,GGA,P2_1,ABC3D_mP12_4_a_a_3a_a:Hf-N-O-Ta,12.0,ABC3D_mP12_4_a_a_3a_a:Hf-N-O-Ta +mp-1018719,HfTaNO3,-10.4763177983,-2.9777298452,0.1666857679,0.1666857679,GGA,Pmm2,ABC3D_oP6_25_b_a_a2d_c:Hf-N-O-Ta,6.0,ABC3D_oP6_25_b_a_a2d_c:Hf-N-O-Ta +mp-1224296,HfTaN2,-11.12251226,-1.5005231325,0.1400349742,0.1400349742,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-Ta,4.0,AB2C_hR12_166_a_c_b:Hf-N-Ta +mp-5813,TaNO,-10.6372133675,-2.2568929454,0.0112790442,-0.0098855287,GGA,C2/m,ABC_mC24_12_2i_2i_2i:N-O-Ta,12.0,ABC_mC24_12_2i_2i_2i:N-O-Ta +mp-4165,TaNO,-10.6484924117,-2.2681719896,0.0,-0.0211645729,GGA,P2_1/c,ABC_mP12_14_e_e_e:N-O-Ta,12.0,ABC_mP12_14_e_e_e:N-O-Ta +mp-546568,TaNO,-9.5248224433,-1.1445020213,1.1236699683,1.1025053955,GGA,P6/mmm,ABC_hP9_191_f_bd_ac:N-O-Ta,9.0,"Invalid WP multiplicities - ABC_hP9_191_f_bd_a2c:N-O-Ta, expected Ta5(NO)3 to be TaNO" +mp-1208577,TaN3O8,-5.6665937742,0.7034705671,2.1490115409,2.1490115409,GGA,I-42m,A3B8C_tI24_121_ad_2i_b:N-O-Ta,12.0,A3B8C_tI24_121_ad_2i_b:N-O-Ta +mp-1019262,Ta2N3O,-9.6733459517,-0.7280578273,0.9711803569,0.9711803569,GGA,P6/mmm,A3BC2_hP6_191_f_a_d:N-O-Ta,6.0,A3BC2_hP6_191_f_a_d:N-O-Ta +mp-1193678,Ta3NO6,-10.3863354173,-3.0273394091,0.0,-0.0113512923,GGA,Cm,AB6C3_mC60_8_3a_18a_9a:N-O-Ta,30.0,AB6C3_mC60_8_3a_18a_9a:N-O-Ta +mp-753937,Ho2V2O7,-8.8095375436,-3.1768601928,0.0777440843,0.0777440843,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Ho-O-V,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_h_ai2j_i:Ho-O-V, expected Ho2V2O11 to be Ho2V2O7" +mp-1178177,Ho2V2O7,-8.877941355,-3.2452640042,0.009340273,0.009340273,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Ho-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2af_d:Ho-O-V, expected HoVO4 to be Ho2V2O7" +mp-1095454,HoVO4,-8.7514682783,-3.1759566475,0.0365190158,-0.1591508572,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Ho-O-V,12.0,AB4C_tI24_88_a_f_b:Ho-O-V +mp-18734,HoVO4,-8.7879872942,-3.2124756633,0.0,-0.195669873,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Ho-O-V,12.0,AB4C_tI24_141_a_h_b:Ho-O-V +mp-1104326,HoVO4,-5.87556306,-0.3000514292,2.9124242342,2.7167543611,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Ho-O-V,12.0,AB4C_tI24_141_a_h_b:Ho-O-V +mp-1041130,HoV2ZnO6,-8.0754531345,-2.7064434458,0.0823602932,0.0823602932,GGA+U,Pc,AB6C2D_mP20_7_a_6a_2a_a:Ho-O-V-Zn,20.0,"Invalid WP multiplicities - AB6C2D_mP20_7_a_12a_4a_a:Ho-O-V-Zn, expected HoV4ZnO12 to be HoV2ZnO6" +mp-1343485,HoV2O6,-8.6289311133,-2.8033363047,0.1653554356,0.1653554356,GGA+U,Pc,AB6C2_mP18_7_a_6a_2a:Ho-O-V,18.0,"Invalid WP multiplicities - AB6C2_mP18_7_a_12a_4a:Ho-O-V, expected HoV4O12 to be HoV2O6" +mp-1212690,HoV2O2,-7.772447172,-1.2437274855,1.2028024054,1.2028024054,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Ho-O-V,20.0,AB2C2_tI40_141_c_h_h:Ho-O-V +mp-19024,HoVO3,-9.0064348285,-3.3051586138,0.0,-0.0202875495,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Ho-O-V,20.0,AB3C_oP20_62_c_cd_a:Ho-O-V +mp-2236422,V5CoO12,-8.4616269383,-2.2456206783,0.0578455853,0.0578455853,GGA+U,P1,AB12C5_aP18_1_a_12a_5a:Co-O-V,18.0,AB12C5_aP18_1_a_12a_5a:Co-O-V +mp-757641,V5CoO12,-8.4597877478,-2.2437814878,0.0596847758,0.0596847758,GGA+U,C2,AB12C5_mC36_5_a_6c_b2c:Co-O-V,18.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_12c_b4c:Co-O-V, expected V9CoO24 to be V5CoO12" +mp-674349,V5CoO15,-7.9647573657,-1.9300821841,0.132714338,0.132714338,GGA+U,C2,AB15C5_mC84_5_c_15c_5c:Co-O-V,42.0,"Invalid WP multiplicities - AB15C5_mC84_5_c_25c_8c:Co-O-V, expected V8CoO25 to be V5CoO15" +mp-771308,VCoO4,-7.7298307904,-1.7333343388,0.1314339271,0.1314339271,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Co-O-V,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_5c3d_c:Co-O-V, expected VCoO11 to be VCoO4" +mp-1193954,LiH6IO7,-5.1118897237,-1.220858626,0.0139752857,0.0139752857,GGA,P-1,A6BCD7_aP30_2_6i_i_i_7i:H-I-Li-O,30.0,A6BCD7_aP30_2_6i_i_i_7i:H-I-Li-O +mp-1430113,LiH6IO7,-4.2400621063,-0.3490310086,0.8858029031,0.8858029031,GGA,P-1,A6BCD7_aP30_2_6i_i_i_7i:H-I-Li-O,30.0,A6BCD7_aP30_2_6i_i_i_7i:H-I-Li-O +mp-1198486,Yb5B2(O2F3)3,-6.3968514416,-3.3086574454,0.2665602892,0.2665602892,GGA,C2/c,A2B9C6D5_mC88_15_f_e4f_3f_e2f:B-F-O-Yb,,A2B9C6D5_mC88_15_f_e4f_3f_e2f:B-F-O-Yb +mp-1212171,Li3Y(NO3)6,-6.8257560211,-1.423877233,0.0,-0.0052581746,GGA,P2_1/c,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Y,112.0,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Y +mp-1029592,Li3YN2,-5.7421846423,-0.9311463817,0.0,-0.0041689223,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Y,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Y +mp-1203766,Ho5B2(O2F3)3,-7.8165895345,-4.0368499497,0.017331565,0.017331565,GGA,C2/c,A2B9C5D6_mC88_15_f_e4f_e2f_3f:B-F-Ho-O,44.0,A2B9C5D6_mC88_15_f_e4f_e2f_3f:B-F-Ho-O +mp-1192885,CsCdI3O,-2.6228798046,-0.7586998224,0.4773289241,0.4773289241,GGA,Pc,ABC3D_mP24_7_2a_2a_6a_2a:Cd-Cs-I-O,24.0,ABC3D_mP24_7_2a_2a_6a_2a:Cd-Cs-I-O +mp-1103539,Cs2CdI4,-2.6537025707,-1.4241082987,0.0,-0.0189915767,GGA,P2_1/m,AB2C4_mP14_11_e_2e_2ef:Cd-Cs-I,14.0,AB2C4_mP14_11_e_2e_2ef:Cd-Cs-I +mp-568134,Cs2CdI4,-2.6431953264,-1.4136010544,0.0105072443,-0.0084843324,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Cd-Cs-I,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_7c6d:Cd-Cs-I, expected Cs5CdI19 to be Cs2CdI4" +mp-669317,Cs3CdI5,-2.7133717194,-1.4938240943,0.00509498,0.00509498,GGA,Pnma,AB3C5_oP36_62_c_cd_3cd:Cd-Cs-I,36.0,"Invalid WP multiplicities - AB3C5_oP36_62_c_3c4d_9c4d:Cd-Cs-I, expected Cs11CdI17 to be Cs3CdI5" +mp-1211728,K3In(IO3)6,-4.9715267536,-1.2585454867,0.0,-0.0302532293,GGA,P-1,A6BC3D18_aP28_2_3i_b_ci_9i:I-In-K-O,28.0,A6BC3D18_aP28_2_3i_b_ci_9i:I-In-K-O +mp-1211943,K3In(IO3)6,-4.9689908902,-1.2560096233,0.0025358634,-0.0277173659,GGA,Fdd2,A6BC3D18_oF224_43_3b_a_ab_9b:I-In-K-O,56.0,A6BC3D18_oF224_43_3b_a_ab_9b:I-In-K-O +mp-1195810,YAg(IO3)4,-5.4228566953,-1.2810368591,0.0,-2.79347e-05,GGA,Cc,AB4C12D_mC144_9_2a_8a_24a_2a:Ag-I-O-Y,72.0,AB4C12D_mC144_9_2a_8a_24a_2a:Ag-I-O-Y +mp-1217520,ThP2(NO4)2,-7.75996866,-2.0302022905,0.5719881269,0.5719881269,GGA,Fdd2,A2B8C2D_oF104_43_b_4b_b_a:N-O-P-Th,26.0,"Invalid WP multiplicities - A2B8C2D_oF104_43_b_10b_b_a:N-O-P-Th, expected ThP2(NO10)2 to be ThP2(NO4)2" +mp-1217271,Th2PNO,-9.234494912,-2.5296543834,0.0,-0.0828129805,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:N-O-P-Th,5.0,ABCD2_hP5_156_a_b_c_ab:N-O-P-Th +mp-1199076,Th2P3NO12,-8.2564191533,-2.76950896,0.3713704563,0.3713704563,GGA,C2/c,AB12C3D2_mC72_15_e_6f_ef_f:N-O-P-Th,36.0,AB12C3D2_mC72_15_e_6f_ef_f:N-O-P-Th +mp-1205080,Ba2PIO4,-6.9279593313,-3.1140376335,0.0,-0.0456154277,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Ba-I-O-P,32.0,A2BC4D_mP32_14_2e_e_4e_e:Ba-I-O-P +mp-30220,Ba3P3I2,-4.49480559,-1.37685996,0.0,-0.0069819485,GGA,Pnma,A3B2C3_oP32_62_3c_2c_3c:Ba-I-P,32.0,A3B2C3_oP32_62_3c_2c_3c:Ba-I-P +mp-1188687,Ba2P7I,-5.0824477645,-0.7620043868,0.0,-0.0176459431,GGA,P2_1/m,A2BC7_mP20_11_2e_e_3e2f:Ba-I-P,20.0,A2BC7_mP20_11_2e_e_3e2f:Ba-I-P +mp-30221,Ba5P5I3,-4.5111086815,-1.3509943521,0.0,-0.0043170061,GGA,C2/m,A5B3C5_mC52_12_5i_3i_5i:Ba-I-P,26.0,A5B3C5_mC52_12_5i_3i_5i:Ba-I-P +mp-1197108,K2Cd(BH4)4,-3.9832564675,-0.3247837954,0.0026357821,0.0026357821,GGA,P2_1/c,A4BC16D2_mP92_14_4e_e_16e_2e:B-Cd-H-K,92.0,A4BC16D2_mP92_14_4e_e_16e_2e:B-Cd-H-K +mp-1190754,Cd(BH4)2,-3.8931315245,-0.1273604644,0.0,-0.0079003395,GGA,P4_2nm,A2BC8_tP22_102_c_a_2cd:B-Cd-H,22.0,A2BC8_tP22_102_c_a_2cd:B-Cd-H +mp-1199830,KCd(BH4)3,-3.9451033518,-0.2519164953,0.010778075,0.010778075,GGA,Ia-3,A3BC12D_cI544_206_2e_ad_8e_bd:B-Cd-H-K,272.0,A3BC12D_cI544_206_2e_ad_8e_bd:B-Cd-H-K +mp-1105115,PSe3N2O,-5.1770593221,0.1830428923,0.8179810797,0.8179810797,GGA,P-1,A2BCD3_aP14_2_2i_i_i_3i:N-O-P-Se,14.0,A2BCD3_aP14_2_2i_i_i_3i:N-O-P-Se +mp-23382,Y4CI5,-5.585679059,-1.3395408894,0.0,-0.0196050358,GGA,C2/m,AB5C4_mC20_12_a_c2i_2i:C-I-Y,10.0,"Invalid WP multiplicities - AB5C4_mC20_12_a_d3i_4i:C-I-Y, expected Y8CI7 to be Y4CI5" +mp-23062,YCI,-6.7246755417,-1.0018412231,0.0,-0.0181483513,GGA,C2/m,ABC_mC12_12_i_i_i:C-I-Y,6.0,ABC_mC12_12_i_i_i:C-I-Y +mp-669309,CsY10(C2I9)2,-5.3946682558,-1.4857176565,0.0,-0.0252257716,GGA,P-1,A4BC18D10_aP33_2_2i_a_9i_5i:C-Cs-I-Y,33.0,"Invalid WP multiplicities - A4BC18D10_aP33_2_2i_a_16i_10i:C-Cs-I-Y, expected CsY20(CI8)4 to be CsY10(C2I9)2" +mp-29426,Y5C2I9,-5.4708060745,-1.4676820932,0.0,-0.0366524802,GGA,P2_1/c,A2B9C5_mP64_14_2e_9e_5e:C-I-Y,64.0,"Invalid WP multiplicities - A2B9C5_mP64_14_4e_12e_11e:C-I-Y, expected Y11(CI3)4 to be Y5C2I9" +mp-23440,Y6C2I7,-5.795334456,-1.290686315,0.0,-0.0120665967,GGA,C2/m,A2B7C6_mC30_12_i_a3i_3i:C-I-Y,15.0,"Invalid WP multiplicities - A2B7C6_mC30_12_i_a3i_5i:C-I-Y, expected Y10C2I7 to be Y6C2I7" +mp-1206803,Y2CI2,-6.17844546,-1.1567773762,0.0,-0.0051647764,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-I-Y,5.0,AB2C2_hP5_164_a_d_d:C-I-Y +mp-1207601,YWClO4,-8.60894316,-2.7432441817,0.023608036,0.023608036,GGA+U,C2/m,AB4CD_mC28_12_i_2ij_i_i:Cl-O-W-Y,14.0,AB4CD_mC28_12_i_2ij_i_i:Cl-O-W-Y +mp-568439,KNa(BH4)2,-4.04230532,-0.4645123082,0.0109732629,0.0109732629,GGA,R3,A2B8CD_hR36_146_2a_2a2b_a_a:B-H-K-Na,12.0,"Invalid WP multiplicities - A2B8CD_hR36_146_2a_2a5b_a_a:B-H-K-Na, expected KNaB2H17 to be KNa(BH4)2" +mp-568428,KNa(BH4)2,-4.0448689725,-0.4670759607,0.0084096104,0.0084096104,GGA,R-3,A2B8CD_hR36_148_c_cf_a_b:B-H-K-Na,12.0,"Invalid WP multiplicities - A2B8CD_hR36_148_c_2c2f_a_b:B-H-K-Na, expected KNa(BH8)2 to be KNa(BH4)2" +mp-571414,KNa(BH4)2,-4.0445037808,-0.466710769,0.0087748021,0.0087748021,GGA,P3m1,A2B8CD_hP12_156_ab_ab2d_c_a:B-H-K-Na,12.0,"Invalid WP multiplicities - A2B8CD_hP12_156_ab_ab4d_c_a:B-H-K-Na, expected KNa(BH7)2 to be KNa(BH4)2" +mp-23758,KNa(BH4)2,-4.0510588692,-0.4732658573,0.0022197137,0.0022197137,GGA,R-3m,A2B8CD_hR36_166_c_ch_a_b:B-H-K-Na,12.0,A2B8CD_hR36_166_c_ch_a_b:B-H-K-Na +mp-541352,P4S3I2,-4.5203852931,-0.4082417011,0.0,-0.0196573453,GGA,P-1,A2B4C3_aP36_2_4i_8i_6i:I-P-S,36.0,A2B4C3_aP36_2_4i_8i_6i:I-P-S +mp-608106,P4S3I2,-4.5019810142,-0.3898374222,0.0184042789,-0.0012530664,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:I-P-S,36.0,"Invalid WP multiplicities - A2B4C3_oP36_62_d_5c5d_3c4d:I-P-S, expected P15S11I2 to be P4S3I2" +mp-950995,Li6PS5I,-4.2970445658,-1.295317228,0.002124926,0.002124926,GGA,Cc,AB6CD5_mC52_9_a_6a_a_5a:I-Li-P-S,26.0,AB6CD5_mC52_9_a_6a_a_5a:I-Li-P-S +mp-985582,Li6PS5I,-4.2802323115,-1.2785049738,0.0189371802,0.0189371802,GGA,F-43m,AB6CD5_cF52_216_a_g_b_ce:I-Li-P-S,13.0,AB6CD5_cF52_216_a_g_b_ce:I-Li-P-S +mp-560785,K2Y4Sn2S11,-6.0490902411,-1.7539968414,0.0,-0.0050672524,GGA,P4/ncc,A2B11C2D4_tP76_130_2c_cf2g_e_g:K-S-Sn-Y,76.0,"Invalid WP multiplicities - A2B11C2D4_tP76_130_7c_4c7f21g_e_g:K-S-Sn-Y, expected K7Y4(SnS51)2 to be K2Y4Sn2S11" +mp-962072,KYSn,-3.77007455,0.0920727551,0.602177073,0.602177073,GGA,F-43m,ABC_cF12_216_a_b_c:K-Sn-Y,3.0,ABC_cF12_216_a_b_c:K-Sn-Y +mp-1191140,US2O9,-7.6932294917,-2.3528538129,0.0059192192,-0.0016716838,GGA,P-1,A9B2C_aP24_2_9i_2i_i:O-S-U,24.0,A9B2C_aP24_2_9i_2i_i:O-S-U +mp-1201369,US2O9,-7.6991487108,-2.3587730321,0.0,-0.007590903,GGA,Pca2_1,A9B2C_oP96_29_18a_4a_2a:O-S-U,96.0,A9B2C_oP96_29_18a_4a_2a:O-S-U +mp-1206004,DyU2S3O2,-8.8757393438,-2.6891976084,0.030832727,0.030832727,GGA,I4/mmm,AB2C3D2_tI16_139_a_d_be_e:Dy-O-S-U,8.0,AB2C3D2_tI16_139_a_d_be_e:Dy-O-S-U +mp-1197182,US2O17,-5.7439509852,-0.5610500935,0.8542137258,0.8542137258,GGA,P2_1/m,A17B2C_mP40_11_3e7f_f_e:O-S-U,40.0,A17B2C_mP40_11_3e7f_f_e:O-S-U +mp-1200368,US2O13,-6.6023404722,-1.3603865353,0.4086932388,0.4086932388,GGA,Pnma,A13B2C_oP64_62_3c5d_d_c:O-S-U,64.0,A13B2C_oP64_62_3c5d_d_c:O-S-U +mp-17637,USO6,-8.3760680397,-2.7375690216,0.0,-0.0652058641,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-S-U,32.0,A6BC_mP32_14_6e_e_e:O-S-U +mp-1203072,USO6,-8.2491303678,-2.6106313498,0.1269376719,0.0617318078,GGA,Pnma,A6BC_oP32_62_2c2d_c_c:O-S-U,32.0,A6BC_oP32_62_2c2d_c_c:O-S-U +mp-3263,USO,-9.5731503133,-2.7816341173,0.0,-0.0533020217,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-S-U,6.0,ABC_tP6_129_a_c_c:O-S-U +mp-729131,U2S2O19,-6.8152102578,-1.3872622027,0.5171336384,0.5171336384,GGA,C2/c,A19B2C2_mC92_15_e9f_f_f:O-S-U,46.0,A19B2C2_mC92_15_e9f_f_f:O-S-U +mp-1200785,U(SO4)2,-7.7345135982,-2.3583481951,0.0479868811,0.0479868811,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-U,88.0,A8B2C_oP88_61_8c_2c_c:O-S-U +mp-1203801,U3S3O16,-8.378140293,-2.6767494288,0.0839919876,0.0839919876,GGA,I4/m,A16B3C3_tI88_87_2h3i_dh_eh:O-S-U,44.0,A16B3C3_tI88_87_2h3i_dh_eh:O-S-U +mp-1211971,KTm(SO5)2,-6.4222283234,-1.8989410936,0.2964462736,0.2964462736,GGA,P2_1/c,AB10C2D_mP56_14_e_10e_2e_e:K-O-S-Tm,56.0,AB10C2D_mP56_14_e_10e_2e_e:K-O-S-Tm +mp-17088,KBaPS4,-5.0430423339,-1.473260068,0.0,-0.0265313238,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-K-P-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_2c2d:Ba-K-P-S, expected KBaPS6 to be KBaPS4" +mp-1212015,K9Ce(PS4)4,-4.7493882993,-1.2906187135,0.0,-0.0025913628,GGA,C2/c,AB9C4D16_mC120_15_e_e4f_2f_8f:Ce-K-P-S,60.0,AB9C4D16_mC120_15_e_e4f_2f_8f:Ce-K-P-S +mp-21557,K3Ce(PS4)2,-5.1310236459,-1.3322743642,0.0,-0.0215948964,GGA,P2_1/c,AB3C2D8_mP56_14_e_3e_2e_8e:Ce-K-P-S,56.0,"Invalid WP multiplicities - AB3C2D8_mP56_14_e_5e_3e_12e:Ce-K-P-S, expected K5Ce(PS4)3 to be K3Ce(PS4)2" +mp-1201622,BPBr6,-3.6115389766,-0.9351809444,0.0,-0.0144672081,GGA,Pnma,AB6C_oP32_62_c_2c2d_c:B-Br-P,32.0,AB6C_oP32_62_c_2c2d_c:B-Br-P +mp-863030,BP4(SBr)3,-4.7244368359,-0.5970698915,0.0076502537,0.0076502537,GGA,P2_1/m,AB3C4D3_mP22_11_e_ef_2ef_ef:B-Br-P-S,22.0,AB3C4D3_mP22_11_e_ef_2ef_ef:B-Br-P-S +mp-27724,BPS4,-5.41944845,-0.6463661592000001,0.0,-0.0271888235,GGA,I222,ABC4_oI12_23_a_b_k:B-P-S,6.0,ABC4_oI12_23_a_b_k:B-P-S +mp-27245,BSBr,-5.0096489822,-0.8866923263,0.0,-0.0379582914,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:B-Br-S,36.0,ABC_mP36_14_3e_3e_3e:B-Br-S +mp-555279,BSBr,-5.0082460669,-0.885289411,0.0014029153,-0.0365553761,GGA,P2_1/c,ABC_mP36_14_3e_3e_3e:B-Br-S,36.0,"Invalid WP multiplicities - ABC_mP36_14_8e_9e_8e:B-Br-S, expected B8S8Br9 to be BSBr" +mp-1216116,Y2ZrWO8,-9.5293286483,-3.3616384169,0.0580743415,0.0580743415,GGA+U,I-4,A8BC2D_tI24_82_2g_a_bc_d:O-W-Y-Zr,12.0,"Invalid WP multiplicities - A8BC2D_tI24_82_3g_a_bc_d:O-W-Y-Zr, expected Y2ZrWO12 to be Y2ZrWO8" +mp-1196622,YbCO4,-7.1238067042,-2.0313019346,0.314528664,0.314528664,GGA,P4_2/nmc,AB4C_tP48_137_g_2gh_f:C-O-Yb,,AB4C_tP48_137_g_2gh_f:C-O-Yb +mp-758329,YbCO3,-7.8870612275,-2.7653932463,0.049603472,-0.2510472295,GGA,Pnma,AB3C_oP20_62_c_cd_a:C-O-Yb,,"Invalid WP multiplicities - AB3C_oP20_62_c_2c2d_a:C-O-Yb, expected YbCO6 to be YbCO3" +mp-755213,YbCO3,-7.9366646995,-2.8149967182,0.0,-0.3006507015,GGA,Pnma,AB3C_oP20_62_c_cd_c:C-O-Yb,,"Invalid WP multiplicities - AB3C_oP20_62_c_2c3d_c:C-O-Yb, expected YbCO8 to be YbCO3" +mp-1207746,Yb2CO7,-6.3853064782,-1.6918361751000002,0.4417320129,0.4417320129,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:C-O-Yb,,AB7C2_mP40_14_e_7e_2e:C-O-Yb +mp-9805,KYb(CO3)2,-7.4049501595,-2.3262031115,0.0,-0.010749947,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Yb,,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Yb +mp-721084,H7IN2,-4.722849429,-0.5333055775000001,0.0,-0.0143901925,GGA,Pbcn,A7BC2_oP40_60_a3d_c_d:H-I-N,40.0,A7BC2_oP40_60_a3d_c_d:H-I-N +mp-28281,H4I3N,-3.8484520853,-0.5575148159000001,0.0,-0.106745256,GGA,Pnma,A4B3C_oP32_62_2cd_3c_c:H-I-N,32.0,"Invalid WP multiplicities - A4B3C_oP32_62_5cd_4c_c:H-I-N, expected H7I4N to be H4I3N" +mp-1224351,HIN2,-5.145846065,0.2389244962,0.6449114654,0.6449114654,GGA,P4/mmm,ABC2_tP4_123_a_d_g:H-I-N,4.0,ABC2_tP4_123_a_d_g:H-I-N +mp-1212460,HIN2,-3.8623902138,1.5223803475,1.9283673167,1.9283673167,GGA,I4/mcm,ABC2_tI16_140_d_a_h:H-I-N,8.0,ABC2_tI16_140_d_a_h:H-I-N +mp-27855,H3I3N2,-3.9148546812,-0.0059463019,0.4656788034,0.4656788034,GGA,P2_1/m,A3B3C2_mP16_11_ef_a2e_2e:H-I-N,16.0,A3B3C2_mP16_11_ef_a2e_2e:H-I-N +mp-34381,H4IN,-4.4776876967,-0.5808934542,0.00217789,-0.0766857849,GGA,Imm2,A4BC_oI12_44_cd_a_b:H-I-N,6.0,A4BC_oI12_44_cd_a_b:H-I-N +mp-643062,H4IN,-4.4798655867,-0.5830713442000001,0.0,-0.0788636749,GGA,P4/nmm,A4BC_tP12_129_i_c_a:H-I-N,12.0,A4BC_tP12_129_i_c_a:H-I-N +mp-1202603,GaH18I3N7,-4.762636488,-0.3877148205,0.1485383225,0.1485383225,GGA,Pnma,AB18C3D7_oP116_62_c_2c8d_3c_3c2d:Ga-H-I-N,116.0,AB18C3D7_oP116_62_c_2c8d_3c_3c2d:Ga-H-I-N +mp-1224008,Ho4US7,-7.0695355758,-2.1881860293,0.0577558397,0.0577558397,GGA,Cm,A4B7C_mC24_8_4a_7a_a:Ho-S-U,12.0,A4B7C_mC24_8_4a_7a_a:Ho-S-U +mp-1206006,HoU2S3O2,-8.87536592,-2.6918714309,0.031250522,0.031250522,GGA,I4/mmm,AB2C3D2_tI16_139_a_d_be_e:Ho-O-S-U,8.0,AB2C3D2_tI16_139_a_d_be_e:Ho-O-S-U +mp-1196559,SmV2IO9,-7.5984416958,-2.2999830014,0.0,-0.0010383846,GGA+U,Pbcm,AB9CD2_oP52_57_d_c4d2e_d_cd:I-O-Sm-V,52.0,AB9CD2_oP52_57_d_c4d2e_d_cd:I-O-Sm-V +mp-6353,Y2Si4CN6,-8.589593415,-1.3679126928,0.0,-0.031279732,GGA,P2_1/c,AB6C4D2_mP52_14_e_6e_4e_2e:C-N-Si-Y,52.0,AB6C4D2_mP52_14_e_6e_4e_2e:C-N-Si-Y +mp-19496,KV2SbO8,-7.4896850608,-2.2412915594,0.0,-0.018918069,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:K-O-Sb-V,48.0,"Invalid WP multiplicities - AB8CD2_oP48_62_c_16c12d_c_3c:K-O-Sb-V, expected KV3SbO40 to be KV2SbO8" +mp-1091363,K2TcF6,-5.5124383011,-2.8401815629,0.0,-0.2437261174,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-K-Tc,9.0,A6B2C_hP9_164_i_d_a:F-K-Tc +mp-1201694,K2Tc9O27F11,-7.1602774756,-2.0571466134,0.0,-0.0027214017,GGA,P2_1/c,A11B2C27D9_mP196_14_11e_2e_27e_9e:F-K-O-Tc,196.0,A11B2C27D9_mP196_14_11e_2e_27e_9e:F-K-O-Tc +mp-1197189,GdH2I3O10,-6.1101187688,-1.438333738,0.0101725663,0.0101725663,GGA,P2_1,AB2C3D10_mP32_4_a_2a_3a_10a:Gd-H-I-O,32.0,AB2C3D10_mP32_4_a_2a_3a_10a:Gd-H-I-O +mp-735051,GdH18(IO3)3,-5.3537612732,-1.3510035796,0.0,-0.0642753297,GGA,Pmmn,AB18C3D9_oP62_59_a_3e3g_be_aefg:Gd-H-I-O,62.0,AB18C3D9_oP62_59_a_3e3g_be_aefg:Gd-H-I-O +mp-567433,BP(IBr)3,-3.3577363244,-0.7112515347,0.0,-0.0258856975,GGA,Pnma,AB3C3D_oP32_62_c_cd_cd_c:B-Br-I-P,32.0,"Invalid WP multiplicities - AB3C3D_oP32_62_c_3c4d_3c3d_c:B-Br-I-P, expected BPI9Br11 to be BP(IBr)3" +mp-1216131,Y2(OF)3,-7.3483508725,-3.1599202146,0.3261755641,0.3261755641,GGA,P-6,A3B3C2_hP8_174_j_k_ad:F-O-Y,8.0,A3B3C2_hP8_174_j_k_ad:F-O-Y +mp-676605,Y6O5F8,-8.38076042,-4.2321234739,0.0391724128,0.0391724128,GGA,P1,A8B5C6_aP19_1_8a_5a_6a:F-O-Y,19.0,A8B5C6_aP19_1_8a_5a_6a:F-O-Y +mp-758174,Y6O5F8,-8.3672222821,-4.218585336,0.0527105507,0.0527105507,GGA,C2,A8B5C6_mC38_5_a7b_5a_3c:F-O-Y,19.0,"Invalid WP multiplicities - A8B5C6_oC38_21_ac6f_b3e_2k3l:F-O-Y, expected Y16(OF2)7 to be Y6O5F8" +mp-757483,Y6O5F8,-8.4196884912,-4.2710515451,0.0002443416,0.0002443416,GGA,P2_1/c,A8B5C6_mP76_14_8e_5e_6e:F-O-Y,76.0,"Invalid WP multiplicities - A8B5C6_mP76_14_23e_15e_17e:F-O-Y, expected Y17O15F23 to be Y6O5F8" +mp-1216371,Y6O5F8,-8.4195831397,-4.2709461936,0.000349693,0.000349693,GGA,P2_12_12,A8B5C6_oP76_18_8c_5c_ab5c:F-O-Y,76.0,A8B5C6_oP76_18_8c_5c_ab5c:F-O-Y +mp-634896,YOF,-8.3732428933,-3.9316966293,0.2978182683,0.2790495892,GGA,C2/m,ABC_mC12_12_i_i_i:F-O-Y,6.0,ABC_mC12_12_i_i_i:F-O-Y +mp-10219,YOF,-8.6617353183,-4.2201890543000005,0.0093258433,-0.0094428358,GGA,P4/nmm,ABC_tP6_129_a_b_c:F-O-Y,6.0,ABC_tP6_129_a_b_c:F-O-Y +mp-3637,YOF,-8.6710611617,-4.2295148976,0.0,-0.0187686791,GGA,R-3m,ABC_hR18_166_c_c_c:F-O-Y,6.0,ABC_hR18_166_c_c_c:F-O-Y +mp-38194,YOF,-8.6151798,-4.173633536,0.0558813617,0.0371126825,GGA,F-43m,ABC_cF12_216_a_b_c:F-O-Y,3.0,ABC_cF12_216_a_b_c:F-O-Y +mp-1101793,YSeO3F,-7.2744742025,-2.8221529205,0.0,-0.1298995867,GGA,P2_1/m,AB3CD_mP12_11_e_ef_e_e:F-O-Se-Y,12.0,AB3CD_mP12_11_e_ef_e_e:F-O-Se-Y +mp-556169,YSeO3F,-7.250748448299999,-2.7984271663,0.0237257542,-0.1061738325,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:F-O-Se-Y,24.0,"Invalid WP multiplicities - AB3CD_mP24_14_e_11e_e_e:F-O-Se-Y, expected YSeO11F to be YSeO3F" +mp-1215963,YO2F,-7.3101042362,-2.7422723604,0.4298638128,0.4298638128,GGA,Pm,AB2C_mP8_6_2a_a3b_ab:F-O-Y,8.0,AB2C_mP8_6_2a_a3b_ab:F-O-Y +mp-1216262,Y16Se16F15,-6.9388917572,-2.9373958856,0.1910155363,0.1910155363,GGA,Pm,A15B16C16_mP47_6_7a8b_8a8b_8a8b:F-Se-Y,47.0,A15B16C16_mP47_6_7a8b_8a8b_8a8b:F-Se-Y +mp-1216168,Y5O4F7,-8.3704925941,-4.2767761451,0.002353677,0.002353677,GGA,C2,A7B4C5_mC64_5_2a6c_2b3c_5c:F-O-Y,32.0,A7B4C5_mC64_5_2a6c_2b3c_5c:F-O-Y +mp-675109,Y5O4F7,-8.1687127184,-4.0749962694,0.2041335527,0.2041335527,GGA,Pc,A7B4C5_mP32_7_7a_4a_5a:F-O-Y,32.0,"Invalid WP multiplicities - A7B4C5_mP32_7_13a_7a_10a:F-O-Y, expected Y10O7F13 to be Y5O4F7" +mp-1100895,Y5O4F7,-8.1835072494,-4.0897908004,0.1893390217,0.1893390217,GGA,Pc,A7B4C5_mP32_7_7a_4a_5a:F-O-Y,32.0,"Invalid WP multiplicities - A7B4C5_mP32_7_13a_7a_10a:F-O-Y, expected Y10O7F13 to be Y5O4F7" +mp-766345,Y5O4F7,-8.3719184541,-4.2782020051,0.000927817,0.000927817,GGA,Aea2,A7B4C5_oC128_41_7b_2a3b_5b:F-O-Y,64.0,"Invalid WP multiplicities - A7B4C5_oC128_41_24b_4a11b_18b:F-O-Y, expected Y18O13F24 to be Y5O4F7" +mp-769404,YSeO3,-7.469001202,-2.5085114571,0.0,-0.0029234337,GGA,P2_1/c,A3BC_mP40_14_6e_2e_2e:O-Se-Y,40.0,"Invalid WP multiplicities - A3BC_mP40_14_21e_3e_3e:O-Se-Y, expected YSeO7 to be YSeO3" +mp-696195,YSeF,-7.1188730342,-3.1609191813,0.01780546,0.01780546,GGA,P2_1/m,ABC_mP24_11_4e_4e_4e:F-Se-Y,24.0,ABC_mP24_11_4e_4e_4e:F-Se-Y +mp-556111,YSeF,-7.03323995,-3.0752860972,0.1034385442,0.1034385442,GGA,Pnma,ABC_oP12_62_c_c_c:F-Se-Y,12.0,ABC_oP12_62_c_c_c:F-Se-Y +mp-1187888,YSeF,-7.1255557142,-3.1676018613,0.01112278,0.01112278,GGA,Pnma,ABC_oP12_62_c_c_c:F-Se-Y,12.0,ABC_oP12_62_c_c_c:F-Se-Y +mp-1206733,Y2OF,-7.2624579975,-2.3146805211,0.8574556521000001,0.8574556521000001,GGA,P4/mmm,ABC2_tP4_123_a_b_g:F-O-Y,4.0,ABC2_tP4_123_a_b_g:F-O-Y +mp-1208584,Y2Se3O20,-5.6664627236000005,-0.7722846882000001,0.6374907676,0.6374907676,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-Se-Y,50.0,A20B3C2_mC100_15_10f_ef_f:O-Se-Y +mp-1216198,Y7(O2F3)3,-8.4536577909,-4.2650786651,0.000519814,0.000519814,GGA,C2,A9B6C7_mC88_5_2a8c_2b5c_7c:F-O-Y,44.0,A9B6C7_mC88_5_2a8c_2b5c_7c:F-O-Y +mp-1100970,Y7(O2F3)3,-8.2443916066,-4.0558124808,0.2097859983,0.2097859983,GGA,Pc,A9B6C7_mP44_7_9a_6a_7a:F-O-Y,44.0,"Invalid WP multiplicities - A9B6C7_mP44_7_17a_11a_13a:F-O-Y, expected Y13O11F17 to be Y7(O2F3)3" +mp-27129,Y7(O2F3)3,-8.3777872282,-4.1892081023,0.0763903767,0.0763903767,GGA,Aem2,A9B6C7_oC88_39_c4d_ab2d_c3d:F-O-Y,44.0,"Invalid WP multiplicities - A9B6C7_oC88_39_2c6d_2ab4d_c3d:F-O-Y, expected Y7O11F14 to be Y7(O2F3)3" +mp-755609,Y2SeO2,-8.669875938,-3.4054297126,0.054074196,-0.0311991842,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Se-Y,5.0,A2BC2_tI10_139_d_a_e:O-Se-Y +mp-752658,Y2SeO2,-8.723950134,-3.4595039086,0.0,-0.0852733802,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-Se-Y,5.0,A2BC2_hP5_164_d_a_d:O-Se-Y +mp-769207,Y2(SeO4)3,-6.8640327756,-1.9945656465,0.0786335532,-0.1945881585,GGA,C2/c,A12B3C2_mC68_15_6f_ef_f:O-Se-Y,34.0,"Invalid WP multiplicities - A12B3C2_mC68_15_23f_e2f_f:O-Se-Y, expected Y2Se5O46 to be Y2(SeO4)3" +mp-769147,Y2(SeO4)3,-6.9426663288,-2.0731991997,0.0,-0.2732217117,GGA,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-Se-Y,68.0,"Invalid WP multiplicities - A12B3C2_oP68_60_21d_2c2d_d:O-Se-Y, expected Y(SeO7)3 to be Y2(SeO4)3" +mp-553924,Ag4PIO4,-5.0380546143,-1.2376898428,0.0,-0.0071941103,GGA,P2_1/m,A4BC4D_mP40_11_2e3f_2e_4e2f_2e:Ag-I-O-P,40.0,"Invalid WP multiplicities - A4BC4D_mP40_11_4e12f_3e_7e6f_2e:Ag-I-O-P, expected Ag28P2I3O19 to be Ag4PIO4" +mp-558276,K2Er(NO3)5,-6.8081388242,-1.4746030852,0.0,-0.0313488045,GGA,P2_1/c,AB2C5D15_mP92_14_e_2e_5e_15e:Er-K-N-O,92.0,"Invalid WP multiplicities - AB2C5D15_mP92_14_e_7e_18e_55e:Er-K-N-O, expected K7ErN18O55 to be K2Er(NO3)5" +mp-755093,V2O3F,-8.4717133238,-2.6518204502,0.0191452962,0.0141419966,GGA+U,P1,AB3C2_aP24_1_4a_12a_8a:F-O-V,24.0,AB3C2_aP24_1_4a_12a_8a:F-O-V +mp-763975,V2O3F,-8.4522184558,-2.6323255823,0.0386401642,0.0336368645,GGA+U,P-1,AB3C2_aP24_2_2i_6i_ae3i:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_aP24_2_4i_11i_ae5i:F-O-V, expected V6O11F4 to be V2O3F" +mp-800289,V2O3F,-3.9214049821,1.8984878915,4.5694536379,4.5644503383,GGA+U,P-1,AB3C2_aP24_2_2i_6i_ae3i:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_aP24_2_4i_11i_ae5i:F-O-V, expected V6O11F4 to be V2O3F" +mp-1346325,V2O3F,-7.0465119629,-1.2266190894,1.4443466571,1.4393433574,GGA+U,P-1,AB3C2_aP24_2_2i_6i_ae3i:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_aP24_2_4i_11i_ae5i:F-O-V, expected V6O11F4 to be V2O3F" +mp-759662,V2O3F,-8.48734065,-2.6674477765,0.00351797,-0.0014853297,GGA+U,C2,AB3C2_mC36_5_ac_a4c_ab2c:F-O-V,18.0,"Invalid WP multiplicities - AB3C2_mC36_5_ac_a6c_ab3c:F-O-V, expected V8O13F3 to be V2O3F" +mp-755019,V2O3F,-8.4865058696,-2.666612996,0.0043527504,-0.0006505492,GGA+U,C2,AB3C2_mC48_5_abc_ab5c_ab3c:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_mC48_5_ab2c_ab10c_ab6c:F-O-V, expected V7O11F3 to be V2O3F" +mp-780623,V2O3F,-8.4831864996,-2.663293626,0.0076721204,0.0026688208,GGA+U,C2/m,AB3C2_mC48_12_gi_h3ij_ad3i:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_mC48_12_gi_2h5i3j_ac4i:F-O-V, expected V5O13F2 to be V2O3F" +mp-849388,V2O3F,-8.393075555,-2.5731826815,0.097783065,0.0927797653,GGA+U,C2/m,AB3C2_mC24_12_i_ij_abf:F-O-V,12.0,"Invalid WP multiplicities - AB3C2_mC24_12_i_2ij_abe:F-O-V, expected V2O4F to be V2O3F" +mp-849641,V2O3F,-8.4464487038,-2.6265558302,0.0444099162,0.0394066166,GGA+U,C2/m,AB3C2_mC48_12_2i_2i2j_abij:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_mC48_12_3i_4i6j_ab2ij:F-O-V, expected V5O16F3 to be V2O3F" +mp-760949,V2O3F,-8.4173712762,-2.5974784027,0.0734873437,0.0684840441,GGA+U,C2/m,AB3C2_mC48_12_2i_2i2j_abij:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_mC48_12_4i_3i6j_ab2i2j:F-O-V, expected V7O15F4 to be V2O3F" +mp-755960,V2O3F,-8.4493364829,-2.6294436094,0.0415221371,0.0365188374,GGA+U,P2_1/c,AB3C2_mP24_14_e_3e_ade:F-O-V,24.0,AB3C2_mP24_14_e_3e_abe:F-O-V +mp-752997,V2O3F,-8.4546387083,-2.6347458348,0.0362199117,0.031216612,GGA+U,Pna2_1,AB3C2_oP24_33_a_3a_2a:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_oP24_33_a_9a_5a:F-O-V, expected V5O9F to be V2O3F" +mp-755095,V2O3F,-8.4289836883,-2.6090908148,0.0618749317,0.056871632,GGA+U,Amm2,AB3C2_oC12_38_a_ae_ab:F-O-V,6.0,AB3C2_oC12_38_a_ae_ab:F-O-V +mp-777333,V2O3F,-8.485225474,-2.6653326005,0.005633146,0.0006298463,GGA+U,Amm2,AB3C2_oC60_38_a2c_a2ce2f_ab4c:F-O-V,30.0,"Invalid WP multiplicities - AB3C2_oC60_38_a4c_a4c2e6f_ab5c:F-O-V, expected V12O37F9 to be V2O3F" +mp-777055,V2O3F,-8.4705325623,-2.6506396888,0.0203260577,0.015322758,GGA+U,Amm2,AB3C2_oC60_38_a2c_a2ce2f_ab4c:F-O-V,30.0,"Invalid WP multiplicities - AB3C2_oC60_38_a2c_a3c2e6f_ab7c:F-O-V, expected V16(O7F)5 to be V2O3F" +mp-777540,V2O3F,-8.4873184247,-2.6674255511,0.0035401953,-0.0014631043,GGA+U,Amm2,AB3C2_oC60_38_a2c_a2ce2f_ab4c:F-O-V,30.0,"Invalid WP multiplicities - AB3C2_oC60_38_a2c_a2c2e6f_ab4c:F-O-V, expected V10O33F5 to be V2O3F" +mp-759332,V2O3F,-8.4775984779,-2.6577056044000003,0.0132601421,0.0082568424,GGA+U,Amm2,AB3C2_oC48_38_abc_abc2f_ab3c:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_oC48_38_ab2c_abc4f_ab3c:F-O-V, expected V4O10F3 to be V2O3F" +mp-763983,V2O3F,-8.4866808633,-2.6667879898,0.0041777567,-0.000825543,GGA+U,Amm2,AB3C2_oC36_38_ac_acef_ab2c:F-O-V,18.0,"Invalid WP multiplicities - AB3C2_oC36_38_ac_ac2e2f_ab2c:F-O-V, expected V2O5F to be V2O3F" +mp-755697,V2O3F,-8.4858333404,-2.6659404669,0.0050252796,2.19799e-05,GGA+U,Cmcm,AB3C2_oC48_63_f_efg_acf:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_oC48_63_f_4e2f4g_2a2cf:F-O-V, expected V3O10F to be V2O3F" +mp-755168,V2O3F,-8.4017736696,-2.581880796,0.0890849504,0.0840816508,GGA+U,Cmcm,AB3C2_oC48_63_2c_2ch_2cg:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_oC48_63_4c_3c2h_3c2g:F-O-V, expected V7O11F4 to be V2O3F" +mp-755587,V2O3F,-8.490858620000001,-2.6709657465000003,0.0,-0.0050032997,GGA+U,Cmcm,AB3C2_oC24_63_c_ce_ac:F-O-V,12.0,AB3C2_oC24_63_c_ce_ac:F-O-V +mp-765401,V2O3F,-8.4410339838,-2.6211411102,0.0498246362,0.0448213366,GGA+U,Cmmm,AB3C2_oC48_65_gh_ghmn_abehj:F-O-V,24.0,"Invalid WP multiplicities - AB3C2_oC48_65_gh_2g2h3m2n_abehj:F-O-V, expected V2O7F to be V2O3F" +mp-755197,V2O3F,-8.490055225,-2.6701623515,0.000803395,-0.0041999047,GGA+U,Imma,AB3C2_oI24_74_e_ef_ae:F-O-V,12.0,"Invalid WP multiplicities - AB3C2_oI24_74_e_2ef_ae:F-O-V, expected V2O4F to be V2O3F" +mp-764379,V2O2F3,-7.671918035,-2.8439713971,0.0605409429,0.0605409429,GGA+U,Cc,A3B2C2_mC28_9_3a_2a_2a:F-O-V,14.0,"Invalid WP multiplicities - A3B2C2_mC28_9_3a_2a_4a:F-O-V, expected V4O2F3 to be V2O2F3" +mp-759850,V2O2F3,-7.6275533043,-2.7996066664,0.1049056736,0.1049056736,GGA+U,C2/c,A3B2C2_mC28_15_ef_f_f:F-O-V,14.0,"Invalid WP multiplicities - A3B2C2_mC28_15_e2f_f_f:F-O-V, expected V2O2F5 to be V2O2F3" +mp-753052,V2O2F3,-7.6419242779,-2.81397764,0.0905347,0.0905347,GGA+U,Cmcm,A3B2C2_oC28_63_cf_f_f:F-O-V,14.0,A3B2C2_oC28_63_cf_f_f:F-O-V +mp-799431,VOF,-6.0556580733,-0.7416334904,2.1044740583,2.0988965146,GGA+U,P1,ABC_aP12_1_4a_4a_4a:F-O-V,12.0,ABC_aP12_1_4a_4a_4a:F-O-V +mp-760928,VOF,-8.1055177172,-2.7914931343,0.0546144144,0.0490368707,GGA+U,P-1,ABC_aP18_2_3i_3i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - ABC_aP18_2_5i_5i_ae3i:F-O-V, expected V4(OF)5 to be VOF" +mp-1101283,VOF,-8.0954355029,-2.78141092,0.0646966287,0.059119085,GGA+U,P-1,ABC_aP24_2_4i_4i_bcdh2i:F-O-V,24.0,"Invalid WP multiplicities - ABC_aP24_2_7i_8i_bcdh3i:F-O-V, expected V5O8F7 to be VOF" +mp-779360,VOF,-8.1215341671,-2.8075095842,0.0385979646,0.0330204208,GGA+U,P2_1,ABC_mP24_4_4a_4a_4a:F-O-V,24.0,ABC_mP24_4_8a_8a_8a:F-O-V +mp-764900,VOF,-8.158673515,-2.8446489321,0.0014586167,-0.0041189271,GGA+U,P2_1,ABC_mP18_4_3a_3a_3a:F-O-V,18.0,"Invalid WP multiplicities - ABC_mP18_4_5a_4a_6a:F-O-V, expected V6O4F5 to be VOF" +mp-755238,VOF,-8.0103467275,-2.6963221446,0.1497854042,0.1442078604,GGA+U,C2,ABC_mC48_5_ab3c_ab3c_ab3c:F-O-V,24.0,"Invalid WP multiplicities - ABC_mC48_5_ab6c_ab5c_ab3c:F-O-V, expected V4O6F7 to be VOF" +mp-752454,VOF,-8.12152891,-2.8075043271,0.0386032217,0.0330256779,GGA+U,Pm,ABC_mP18_6_5ab_a5b_3a3b:F-O-V,18.0,ABC_mP18_6_5ab_a5b_3a3b:F-O-V +mp-779315,VOF,-8.1164759546,-2.8024513717,0.0436561771,0.0380786333,GGA+U,Pm,ABC_mP24_6_7ab_a7b_4a4b:F-O-V,24.0,ABC_mP24_6_7ab_a7b_4a4b:F-O-V +mp-779316,VOF,-8.1169244583,-2.8028998754,0.0432076733,0.0376301296,GGA+U,Pm,ABC_mP24_6_3a5b_5a3b_4a4b:F-O-V,24.0,ABC_mP24_6_3a5b_5a3b_4a4b:F-O-V +mp-759045,VOF,-7.8663699183,-2.5523453354,0.2937622133,0.2881846696,GGA+U,Cm,ABC_mC48_8_2a3b_2a3b_2a3b:F-O-V,24.0,"Invalid WP multiplicities - ABC_mC48_8_2a3b_2a3b_2a6b:F-O-V, expected V7(OF)4 to be VOF" +mp-776040,VOF,-8.11631272,-2.8022881371,0.0438194117,0.0382418679,GGA+U,P2/m,ABC_mP24_10_2m2n_2m2n_acm2n:F-O-V,24.0,"Invalid WP multiplicities - ABC_mP24_10_4m4n_4m4n_acm2n:F-O-V, expected V(OF)2 to be VOF" +mp-765739,VOF,-7.9535087313,-2.6394841483,0.2066234004,0.2010458567,GGA+U,P2/m,ABC_mP24_10_3mn_m3n_acm2n:F-O-V,24.0,"Invalid WP multiplicities - ABC_mP24_10_6mn_2m6n_acm2n:F-O-V, expected V4O8F7 to be VOF" +mp-754746,VOF,-8.12165291,-2.8076283271,0.0384792217,0.0329016779,GGA+U,P2/m,ABC_mP18_10_2mn_m2n_cemn:F-O-V,18.0,"Invalid WP multiplicities - ABC_mP18_10_4mn_2m4n_ae2mn:F-O-V, expected V4O6F5 to be VOF" +mp-764052,VOF,-8.1166781158,-2.8026535329,0.0434540158,0.0378764721,GGA+U,P2/m,ABC_mP24_10_m3n_3mn_acm2n:F-O-V,24.0,"Invalid WP multiplicities - ABC_mP24_10_m6n_6m2n_ac2m2n:F-O-V, expected V5O8F7 to be VOF" +mp-753622,VOF,-8.1248721267,-2.8108475438,0.035260005,0.0296824613,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:F-O-V,12.0,ABC_mP12_14_e_e_e:F-O-V +mp-754072,VOF,-8.1478086,-2.8337840171,0.0123235317,0.0067459879,GGA+U,P2_1/c,ABC_mP12_14_e_e_e:F-O-V,12.0,ABC_mP12_14_e_e_e:F-O-V +mp-763229,VOF,-8.1166075688,-2.8025829858,0.0435245629,0.0379470192,GGA+U,P2_1/c,ABC_mP24_14_2e_2e_2e:F-O-V,24.0,"Invalid WP multiplicities - ABC_mP24_14_2e_2e_4e:F-O-V, expected V2OF to be VOF" +mp-776090,VOF,-8.11789588,-2.8038712971,0.0422362517,0.0366587079,GGA+U,P2_1/c,ABC_mP24_14_2e_2e_ace:F-O-V,24.0,ABC_mP24_14_3e_3e_2a2ce:F-O-V +mp-753200,VOF,-8.1245318133,-2.8105072304,0.0356003183,0.0300227746,GGA+U,P2_12_12_1,ABC_oP12_19_a_a_a:F-O-V,12.0,ABC_oP12_19_a_a_a:F-O-V +mp-757487,VOF,-8.1213899617,-2.8073653788,0.03874217,0.0331646263,GGA+U,Pmn2_1,ABC_oP18_31_3a_3a_3a:F-O-V,18.0,"Invalid WP multiplicities - ABC_oP18_31_4a_5a_5a:F-O-V, expected V5O5F4 to be VOF" +mp-758967,VOF,-8.1576389939,-2.843614411,0.0024931378,-0.003084406,GGA+U,Pmn2_1,ABC_oP18_31_ab_ab_ab:F-O-V,18.0,"Invalid WP multiplicities - ABC_oP18_31_2a2b_2a2b_a2b:F-O-V, expected V5(OF)6 to be VOF" +mp-765687,VOF,-8.1582609821,-2.8442363992,0.0018711496,-0.0037063942,GGA+U,Ama2,ABC_oC48_40_abc_abc_abc:F-O-V,24.0,ABC_oC48_40_ab2c_ab2c_2a2bc:F-O-V +mp-752958,VOF,-8.1442015542,-2.8301769713,0.0159305775,0.0103530338,GGA+U,Pmmn,ABC_oP6_59_a_a_b:F-O-V,12.0,ABC_oP6_59_a_a_b:F-O-V +mp-759276,VOF,-8.1302793125,-2.8162547296,0.0298528192,0.0242752754,GGA+U,Pnma,ABC_oP12_62_c_c_c:F-O-V,12.0,ABC_oP12_62_c_c_c:F-O-V +mp-2675451,VOF,-8.1299630308,-2.8159384479,0.0301691008,0.0245915571,GGA+U,Pnma,ABC_oP12_62_c_c_c:F-O-V,12.0,ABC_oP12_62_c_c_c:F-O-V +mp-754001,VOF,-8.1042007917,-2.7901762088,0.05593134,0.0503537963,GGA+U,Cmmm,ABC_oC12_65_g_j_ac:F-O-V,6.0,ABC_oC12_65_g_j_ac:F-O-V +mp-760321,VOF,-8.082251475,-2.7682268921,0.0778806567,0.0723031129,GGA+U,Fddd,ABC_oF48_70_c_e_f:F-O-V,12.0,ABC_oF48_70_c_e_f:F-O-V +mp-754589,VOF,-8.1601321317,-2.8461075488,0.0,-0.0055775437,GGA+U,P4_12_12,ABC_tP12_92_a_a_a:F-O-V,12.0,ABC_tP12_92_a_a_a:F-O-V +mp-754016,VOF,-8.1120696539,-2.798045071,0.0480624778,0.042484934,GGA+U,R-3,ABC_hR54_148_f_f_f:F-O-V,18.0,ABC_hR54_148_f_f_f:F-O-V +mp-754151,VOF,-8.0970265067,-2.7830019238,0.063105625,0.0575280813,GGA+U,R-3m,ABC_hR18_166_c_c_c:F-O-V,6.0,ABC_hR18_166_c_c_c:F-O-V +mp-859783,VOF,-8.0901282817,-2.7761036988,0.07000385,0.0644263063,GGA+U,R-3m,ABC_hR18_166_c_c_c:F-O-V,6.0,ABC_hR18_166_c_c_c:F-O-V +mp-759554,V3O2F5,-7.5770191187,-2.9067700717,0.0897159272,0.0897159272,GGA+U,Pnma,A5B2C3_oP40_62_c2d_d_cd:F-O-V,40.0,"Invalid WP multiplicities - A5B2C3_oP40_62_2c7d_d_3c2d:F-O-V, expected V7(OF8)2 to be V3O2F5" +mp-1101202,V3O2F5,-7.5823822435,-2.9121331965,0.0843528025,0.0843528025,GGA+U,Immm,A5B2C3_oI40_71_e2l_n_gk:F-O-V,20.0,"Invalid WP multiplicities - A5B2C3_oI40_71_e3l_n_2gk:F-O-V, expected V4O2F7 to be V3O2F5" +mp-781604,VOF2,-7.3234162858,-2.8600281068,0.0006323473,0.0006323473,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-777337,VOF2,-7.3172576183,-2.8538694393,0.0067910148,0.0067910148,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-760919,VOF2,-7.3165369679,-2.8531487889,0.0075116652,0.0075116652,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-760912,VOF2,-7.3229965208,-2.8596083418,0.0010521123,0.0010521123,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-778670,VOF2,-7.3222200133,-2.8588318343,0.0018286198,0.0018286198,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-758857,VOF2,-7.3069409456,-2.8435527666,0.0171076875,0.0171076875,GGA+U,P1,A2BC_aP16_1_8a_4a_4a:F-O-V,16.0,A2BC_aP16_1_8a_4a_4a:F-O-V +mp-776596,VOF2,-7.3185018029,-2.8551136239,0.0055468302,0.0055468302,GGA+U,P1,A2BC_aP24_1_12a_6a_6a:F-O-V,24.0,A2BC_aP24_1_12a_6a_6a:F-O-V +mp-781503,VOF2,-7.2913019033,-2.8279137243,0.0327467298,0.0327467298,GGA+U,P-1,A2BC_aP24_2_6i_3i_ae2i:F-O-V,24.0,"Invalid WP multiplicities - A2BC_aP24_2_11i_6i_ae4i:F-O-V, expected V5O6F11 to be VOF2" +mp-753849,VOF2,-7.2956834894,-2.8322953103,0.0283651437,0.0283651437,GGA+U,P-1,A2BC_aP16_2_4i_2i_bci:F-O-V,16.0,"Invalid WP multiplicities - A2BC_aP16_2_7i_3i_bc2i:F-O-V, expected V3O3F7 to be VOF2" +mp-850788,VOF2,-7.3000002025,-2.8366120234,0.0240484306,0.0240484306,GGA+U,P-1,A2BC_aP24_2_6i_3i_ab2i:F-O-V,24.0,"Invalid WP multiplicities - A2BC_aP24_2_9i_3i_ab4i:F-O-V, expected V5(OF3)3 to be VOF2" +mp-756476,VOF2,-7.3003671921,-2.836979013,0.023681441,0.023681441,GGA+U,P-1,A2BC_aP24_2_6i_3i_ab2i:F-O-V,24.0,"Invalid WP multiplicities - A2BC_aP24_2_11i_5i_ab3i:F-O-V, expected V4O5F11 to be VOF2" +mp-761200,VOF2,-7.29891282,-2.8355246409,0.0251358131,0.0251358131,GGA+U,P-1,A2BC_aP24_2_6i_3i_ab2i:F-O-V,24.0,A2BC_aP24_2_10i_5i_ab4i:F-O-V +mp-1289220,VOF2,-7.3074164606,-2.8440282816,0.0166321725,0.0166321725,GGA+U,P2,A2BC_mP16_3_abcd2e_2e_2e:F-O-V,16.0,A2BC_mP16_3_abcd2e_2e_2e:F-O-V +mp-759886,VOF2,-7.3178676917,-2.8544795126,0.0061809415,0.0061809415,GGA+U,C2,A2BC_mC48_5_ab5c_3c_3c:F-O-V,24.0,"Invalid WP multiplicities - A2BC_mC48_5_ab9c_4c_4c:F-O-V, expected V2O2F5 to be VOF2" +mp-777999,VOF2,-7.3190433854,-2.8556552064,0.0050052477,0.0050052477,GGA+U,Cc,A2BC_mC48_9_6a_3a_3a:F-O-V,24.0,"Invalid WP multiplicities - A2BC_mC48_9_10a_6a_5a:F-O-V, expected V5(O3F5)2 to be VOF2" +mp-1280876,VOF2,-7.3142410156,-2.8508528366,0.0098076175,0.0098076175,GGA+U,Cc,A2BC_mC16_9_4a_2a_2a:F-O-V,16.0,"Invalid WP multiplicities - A2BC_mC16_9_4a_a_a:F-O-V, expected VOF4 to be VOF2" +mp-752970,VOF2,-7.2604318106,-2.7970436316,0.0636168225,0.0636168225,GGA+U,P2/c,A2BC_mP16_13_efg_g_ab:F-O-V,16.0,"Invalid WP multiplicities - A2BC_mP16_13_2ef2g_g_ab:F-O-V, expected V2O2F7 to be VOF2" +mp-1273773,VOF2,-7.3118309444,-2.8484427653,0.0122176887,0.0122176887,GGA+U,P2_1/c,A2BC_mP16_14_2e_e_e:F-O-V,16.0,"Invalid WP multiplicities - A2BC_mP16_14_6e_e_e:F-O-V, expected VOF6 to be VOF2" +mp-759163,VOF2,-7.2943928087,-2.8310046297,0.0296558244,0.0296558244,GGA+U,C2/c,A2BC_mC16_15_f_e_c:F-O-V,8.0,A2BC_mC16_15_f_e_c:F-O-V +mp-752974,VOF2,-7.2617234687,-2.7983352897,0.0623251644,0.0623251644,GGA+U,Imm2,A2BC_oI8_44_c_a_a:F-O-V,16.0,A2BC_oI8_44_c_a_a:F-O-V +mp-1101214,VOF2,-7.2465486975,-2.7831605184,0.0774999356,0.0774999356,GGA+U,Immm,A2BC_oI8_71_e_a_c:F-O-V,8.0,A2BC_oI8_71_e_a_c:F-O-V +mp-778749,VOF2,-7.32208674,-2.8586985609,0.0019618931,0.0019618931,GGA+U,P3_1,A2BC_hP24_144_4a_2a_2a:F-O-V,24.0,"Invalid WP multiplicities - A2BC_hP24_144_8a_2a_5a:F-O-V, expected V5(OF4)2 to be VOF2" +mp-780624,V6O5F19,-6.5845817487,-2.73274907,0.0295223838,0.0295223838,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-849412,V6O5F19,-6.5893323547,-2.737499676,0.0247717778,0.0247717778,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-780467,V6O5F19,-6.5863606443,-2.7345279657,0.0277434881,0.0277434881,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-764557,V6O5F19,-6.5786259613,-2.7267932827,0.0354781711,0.0354781711,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-760859,V6O5F19,-6.5883533013,-2.7365206227,0.0257508311,0.0257508311,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-760037,V6O5F19,-6.5875795553,-2.7357468767,0.0265245771,0.0265245771,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-759809,V6O5F19,-6.592233051,-2.7404003724,0.0218710814,0.0218710814,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-759843,V6O5F19,-6.5888243147,-2.736991636,0.0252798178,0.0252798178,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-850981,V6O5F19,-6.587674516,-2.7358418374,0.0264296164,0.0264296164,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-777859,V6O5F19,-6.584390639,-2.7325579604,0.0297134934,0.0297134934,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-777793,V6O5F19,-6.586971765,-2.7351390864000003,0.0271323674,0.0271323674,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-760913,V6O5F19,-6.591356807,-2.7395241284000003,0.0227473254,0.0227473254,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-760314,V6O5F19,-6.5863381263,-2.7345054477,0.0277660061,0.0277660061,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-759524,V6O5F19,-6.5937658357,-2.741933157,0.0203382968,0.0203382968,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-760996,V6O5F19,-6.5843685437,-2.732535865,0.0297355888,0.0297355888,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-780092,V6O5F19,-6.593781212,-2.7419485334,0.0203229204,0.0203229204,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-780444,V6O5F19,-6.592492755,-2.7406600764,0.0216113774,0.0216113774,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-764852,V6O5F19,-6.5871387083,-2.7353060297000003,0.0269654241,0.0269654241,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-850925,V6O5F19,-6.590520989,-2.7386883104,0.0235831434,0.0235831434,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-780495,V6O5F19,-6.589331927,-2.7374992484,0.0247722054,0.0247722054,GGA+U,P1,A19B5C6_aP30_1_19a_5a_6a:F-O-V,30.0,A19B5C6_aP30_1_19a_5a_6a:F-O-V +mp-759642,V3O5F3,-7.8153611541,-2.5681249115,0.062565097,0.062565097,GGA+U,Cc,A3B5C3_mC44_9_3a_5a_3a:F-O-V,22.0,"Invalid WP multiplicities - A3B5C3_mC44_9_5a_8a_6a:F-O-V, expected V6O8F5 to be V3O5F3" +mp-759530,V3O5F3,-7.8198976745,-2.5726614319000003,0.0580285765,0.0580285765,GGA+U,Cc,A3B5C3_mC44_9_3a_5a_3a:F-O-V,22.0,"Invalid WP multiplicities - A3B5C3_mC44_9_5a_9a_6a:F-O-V, expected V6O9F5 to be V3O5F3" +mp-997101,AgO2F,-4.3097127462,-0.6503596479,0.0082672592,0.0082672592,GGA,C2/m,ABC2_mC16_12_i_i_j:Ag-F-O,8.0,ABC2_mC16_12_i_i_j:Ag-F-O +mp-997028,AgO2F,-4.2976286288,-0.6382755304000001,0.0203513767,0.0203513767,GGA,C222_1,ABC2_oC16_20_a_b_c:Ag-F-O,8.0,ABC2_oC16_20_a_b_c:Ag-F-O +mp-761129,V2O3F2,-7.9108618686,-2.6493138388,0.0522294642,0.0522294642,GGA+U,P-1,A2B3C2_aP14_2_2i_3i_2i:F-O-V,14.0,"Invalid WP multiplicities - A2B3C2_aP14_2_3i_5i_3i:F-O-V, expected V3O5F3 to be V2O3F2" +mp-778369,V3OF11,-6.417569374,-2.8692576698,0.0368344652,0.0368344652,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-779445,V3OF11,-6.4419918233,-2.8936801191,0.0124120158,0.0124120158,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-776537,V3OF11,-6.4178382107,-2.8695265064,0.0365656285,0.0365656285,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-849451,V3OF11,-6.4171047307,-2.8687930264,0.0372991085,0.0372991085,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-801665,V3OF11,-5.8002206627,-2.2519089584,0.6541831765,0.6541831765,GGA+U,P1,A11BC3_aP15_1_11a_a_3a:F-O-V,15.0,A11BC3_aP15_1_11a_a_3a:F-O-V +mp-752857,V3OF11,-6.4084587527,-2.8601470484,0.0459450865,0.0459450865,GGA+U,P1,A11BC3_aP15_1_11a_a_3a:F-O-V,15.0,A11BC3_aP15_1_11a_a_3a:F-O-V +mp-759822,V3OF11,-6.4179629157,-2.8696512114,0.0364409235,0.0364409235,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-777440,V3OF11,-6.4177563587,-2.8694446544,0.0366474805,0.0366474805,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-779357,V3OF11,-6.4419644213,-2.8936527171,0.0124394178,0.0124394178,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-760355,V3OF11,-6.4177324697,-2.8694207654,0.0366713695,0.0366713695,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-759668,V3OF11,-6.417481496,-2.8691697918,0.0369223432,0.0369223432,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-1101185,V3OF11,-6.4248449287,-2.8765332244,0.0295589105,0.0295589105,GGA+U,P1,A11BC3_aP30_1_22a_2a_6a:F-O-V,30.0,A11BC3_aP30_1_22a_2a_6a:F-O-V +mp-774359,V3OF11,-6.4088218,-2.8605100958,0.0455820392,0.0455820392,GGA+U,P-1,A11BC3_aP30_2_11i_i_ae2i:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_aP30_2_21i_i_ae4i:F-O-V, expected V5OF21 to be V3OF11" +mp-805204,V3OF11,-5.6615781747,-2.1132664704,0.7928256645,0.7928256645,GGA+U,P-1,A11BC3_aP30_2_11i_i_ae2i:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_aP30_2_21i_i_ae4i:F-O-V, expected V5OF21 to be V3OF11" +mp-781011,V3OF11,-6.3921691027,-2.8438573984,0.0622347365,0.0622347365,GGA+U,P-1,A11BC3_aP30_2_11i_i_ae2i:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_aP30_2_21i_i_ae4i:F-O-V, expected V5OF21 to be V3OF11" +mp-759226,V3OF11,-6.4410333537,-2.8927216494,0.0133704855,0.0133704855,GGA+U,P-1,A11BC3_aP30_2_11i_i_ae2i:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_aP30_2_21i_i_ae4i:F-O-V, expected V5OF21 to be V3OF11" +mp-761012,V3OF11,-6.4416789173,-2.8933672131,0.0127249218,0.0127249218,GGA+U,P-1,A11BC3_aP30_2_11i_i_ae2i:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_aP30_2_21i_i_ae4i:F-O-V, expected V5OF21 to be V3OF11" +mp-759700,V3OF11,-6.4420532227,-2.8937415184,0.0123506165,0.0123506165,GGA+U,P2_1,A11BC3_mP30_4_11a_a_3a:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_mP30_4_22a_a_5a:F-O-V, expected V5OF22 to be V3OF11" +mp-763903,V3OF11,-6.445869584,-2.8975578798,0.0085342552,0.0085342552,GGA+U,P2_1,A11BC3_mP30_4_11a_a_3a:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_mP30_4_20a_a_4a:F-O-V, expected V4OF20 to be V3OF11" +mp-761062,V3OF11,-6.3917052393,-2.8433935351,0.0626985998,0.0626985998,GGA+U,P2_1,A11BC3_mP30_4_11a_a_3a:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_mP30_4_20a_a_4a:F-O-V, expected V4OF20 to be V3OF11" +mp-780323,V3OF11,-6.4414770743,-2.8931653701,0.0129267648,0.0129267648,GGA+U,P2_1,A11BC3_mP30_4_11a_a_3a:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_mP30_4_21a_a_4a:F-O-V, expected V4OF21 to be V3OF11" +mp-777723,V3OF11,-6.4477022713,-2.8993905671,0.0067015678,0.0067015678,GGA+U,Pc,A11BC3_mP30_7_11a_a_3a:F-O-V,30.0,"Invalid WP multiplicities - A11BC3_mP30_7_22a_a_6a:F-O-V, expected V6OF22 to be V3OF11" +mp-764736,V4O5F7,-7.4049674788,-2.7518786907,0.0125440787,0.0098334378,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-755181,V4O5F7,-7.4175115575,-2.7644227695,0.0,-0.002710641,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-856175,V4O5F7,-3.2216671469,1.4314216412,4.1958444106,4.1931337696,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-755719,V4O5F7,-7.4067209762,-2.7536321882,0.0107905812,0.0080799403,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-849292,V4O5F7,-7.3936441087,-2.7405553207,0.0238674487,0.0211568078,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-755640,V4O5F7,-7.4104329456,-2.7573441576,0.0070786119,0.0043679709,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-807522,V4O5F7,-2.53442854,2.118660248,4.8830830175,4.8803723765,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-761197,V4O5F7,-7.4023428231,-2.7492540351,0.0151687344,0.0124580934,GGA+U,P1,A7B5C4_aP32_1_14a_10a_8a:F-O-V,32.0,A7B5C4_aP32_1_14a_10a_8a:F-O-V +mp-1101221,V4O5F7,-7.3951436769,-2.7420548888000003,0.0223678806,0.0196572396,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-1411949,V4O5F7,-5.7206561013,-1.0675673132,1.6968554562,1.6941448153,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-1386730,V4O5F7,-5.6459117537,-0.9928229657,1.7715998038,1.7688891628,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-2214552,V4O5F7,-7.4135164519,-2.7604276638,0.0039951056,0.0012844646,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-2214898,V4O5F7,-7.3880028919,-2.7349141038,0.0295086656,0.0267980246,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-2214551,V4O5F7,-7.4063743125,-2.7532855245,0.011137245,0.008426604,GGA+U,P1,A7B5C4_aP16_1_7a_5a_4a:F-O-V,16.0,A7B5C4_aP16_1_7a_5a_4a:F-O-V +mp-758950,V4O5F7,-7.3710959963,-2.7180072082,0.0464155612,0.0437049203,GGA+U,P2,A7B5C4_mP16_3_abc2e_d2e_2e:F-O-V,16.0,A7B5C4_mP16_3_abc2e_d2e_2e:F-O-V +mp-759807,V4O5F7,-7.3981923044,-2.7451035163,0.0193192531,0.0166086121,GGA+U,C2,A7B5C4_mC32_5_a3c_b2c_2c:F-O-V,16.0,"Invalid WP multiplicities - A7B5C4_mC32_5_a5c_b3c_2c:F-O-V, expected V4O7F11 to be V4O5F7" +mp-759410,V4O5F7,-7.3883639338,-2.7352751457,0.0291476237,0.0264369828,GGA+U,C2,A7B5C4_mC32_5_a3c_b2c_2c:F-O-V,16.0,"Invalid WP multiplicities - A7B5C4_mC32_5_a5c_b3c_2c:F-O-V, expected V4O7F11 to be V4O5F7" +mp-759631,V3O7F,-8.1014754098,-2.3023828501,0.0518508738,0.0518508738,GGA+U,Pnma,AB7C3_oP44_62_c_c3d_cd:F-O-V,44.0,"Invalid WP multiplicities - AB7C3_oP44_62_c_3c10d_3c2d:F-O-V, expected V7O23F to be V3O7F" +mp-781614,V6O7F5,-8.2349842339,-2.7523368874000003,0.0353900606,0.0353900606,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-752809,V6O7F5,-8.2417662217,-2.7591188752,0.0286080728,0.0286080728,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-756028,V6O7F5,-8.2363052578,-2.7536579113,0.0340690367,0.0340690367,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-777608,V6O7F5,-8.2381651906,-2.7555178441,0.0322091039,0.0322091039,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-755871,V6O7F5,-8.2397863994,-2.757139053,0.030587895,0.030587895,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-763927,V6O7F5,-8.2372722089,-2.7546248624,0.0331020856,0.0331020856,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-763935,V6O7F5,-8.2334825578,-2.7508352113,0.0368917367,0.0368917367,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-763943,V6O7F5,-8.22676103,-2.7441136835,0.0436132644,0.0436132644,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-759721,V6O7F5,-8.2277049072,-2.7450575608000003,0.0426693872,0.0426693872,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-779909,V6O7F5,-8.2457788622,-2.7631315158,0.0245954322,0.0245954322,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-759522,V6O7F5,-8.1985268367,-2.7158794902,0.0718474578,0.0718474578,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-754836,V6O7F5,-8.2419483678,-2.7593010213,0.0284259267,0.0284259267,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-754691,V6O7F5,-8.2232038017,-2.7405564552,0.0471704928,0.0471704928,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-1101239,V6O7F5,-8.2306984383,-2.7480510919,0.0396758561,0.0396758561,GGA+U,P1,A5B7C6_aP18_1_5a_7a_6a:F-O-V,18.0,A5B7C6_aP18_1_5a_7a_6a:F-O-V +mp-763201,V6O7F5,-8.2319344072,-2.7492870608,0.0384398872,0.0384398872,GGA+U,C2,A5B7C6_mC36_5_a2c_a3c_ab2c:F-O-V,18.0,"Invalid WP multiplicities - A5B7C6_mC36_5_a3c_a3c_ab3c:F-O-V, expected V8(OF)7 to be V6O7F5" +mp-755517,V6O7F5,-8.24098233,-2.7583349835,0.0293919644,0.0293919644,GGA+U,C2,A5B7C6_mC36_5_a2c_a3c_ab2c:F-O-V,18.0,"Invalid WP multiplicities - A5B7C6_mC36_5_a4c_a4c_ab4c:F-O-V, expected V10(OF)9 to be V6O7F5" +mp-776983,V6O7F5,-8.2420193656,-2.7593720191,0.0283549289,0.0283549289,GGA+U,Pm,A5B7C6_mP18_6_a2bc_a3c_ab2c:F-O-V,18.0,A5B7C6_mP18_6_a2bc_a3c_ab2c:F-O-V +mp-755268,V6O7F5,-8.2325565578,-2.7499092113,0.0378177367,0.0378177367,GGA+U,Cm,A5B7C6_mC36_8_3ab_3a2b_6a:F-O-V,18.0,"Invalid WP multiplicities - A5B7C6_mC36_8_3ab_3a4b_6a:F-O-V, expected V6O11F5 to be V6O7F5" +mp-1101237,V6O7F5,-8.2291907278,-2.7465433813,0.0411835667,0.0411835667,GGA+U,Cm,A5B7C6_mC36_8_5a_a3b_6a:F-O-V,18.0,"Invalid WP multiplicities - A5B7C6_mC36_8_5a_a6b_6a:F-O-V, expected V6O13F5 to be V6O7F5" +mp-754981,V6O7F5,-8.2229032122,-2.7402558658,0.0474710822,0.0474710822,GGA+U,Amm2,A5B7C6_oC36_38_a2c_aef_ab2c:F-O-V,18.0,"Invalid WP multiplicities - A5B7C6_oC36_38_a2c_a2e2f_ab2c:F-O-V, expected V6O13F5 to be V6O7F5" +mp-753016,V3O5F,-8.5236177356,-2.5351020985,0.0725830306,0.0725830306,GGA+U,P1,AB5C3_aP9_1_a_5a_3a:F-O-V,9.0,AB5C3_aP9_1_a_5a_3a:F-O-V +mp-763211,V3O5F,-8.5566825,-2.5681668629,0.0395182661,0.0395182661,GGA+U,P1,AB5C3_aP18_1_2a_10a_6a:F-O-V,18.0,AB5C3_aP18_1_2a_10a_6a:F-O-V +mp-849287,V3O5F,-8.5682922889,-2.5797766518,0.0279084772,0.0279084772,GGA+U,P1,AB5C3_aP18_1_2a_10a_6a:F-O-V,18.0,AB5C3_aP18_1_2a_10a_6a:F-O-V +mp-778117,V3O5F,-8.5603738856,-2.5718582485,0.0358268806,0.0358268806,GGA+U,P1,AB5C3_aP18_1_2a_10a_6a:F-O-V,18.0,AB5C3_aP18_1_2a_10a_6a:F-O-V +mp-759986,V3O5F,-8.5583002878,-2.5697846507,0.0379004783,0.0379004783,GGA+U,P1,AB5C3_aP18_1_2a_10a_6a:F-O-V,18.0,AB5C3_aP18_1_2a_10a_6a:F-O-V +mp-755269,V3O5F,-8.5526817172,-2.5641660801,0.0435190489,0.0435190489,GGA+U,P-1,AB5C3_aP18_2_i_5i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_aP18_2_i_10i_ae3i:F-O-V, expected V4O10F to be V3O5F" +mp-760952,V3O5F,-8.5780061378,-2.5894905007,0.0181946283,0.0181946283,GGA+U,P-1,AB5C3_aP18_2_i_5i_ab2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_aP18_2_i_9i_ab3i:F-O-V, expected V4O9F to be V3O5F" +mp-756032,V3O5F,-8.5685831233,-2.5800674862,0.0276176428,0.0276176428,GGA+U,P-1,AB5C3_aP18_2_i_5i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_aP18_2_i_10i_ae2i:F-O-V, expected V3O10F to be V3O5F" +mp-850973,V3O5F,-8.5866413978,-2.5981257607,0.0095593683,0.0095593683,GGA+U,P2_1,AB5C3_mP18_4_a_5a_3a:F-O-V,18.0,AB5C3_mP18_4_a_5a_3a:F-O-V +mp-763908,V3O5F,-8.5806560228,-2.5921403857,0.0155447433,0.0155447433,GGA+U,Pm,AB5C3_mP18_6_ab_5a5b_3a3b:F-O-V,18.0,AB5C3_mP18_6_ab_5a5b_3a3b:F-O-V +mp-763350,V3O5F,-8.5943784944,-2.6058628574,0.0018222717,0.0018222717,GGA+U,Pc,AB5C3_mP18_7_a_5a_3a:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_oP18_31_a_2a4b_2a3b:F-O-V, expected V8O10F to be V3O5F" +mp-763319,V3O5F,-8.555863525,-2.5673478879,0.0403372411,0.0403372411,GGA+U,Cm,AB5C3_mC36_8_2a_4a3b_6a:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mC36_8_2a_4a6b_6a:F-O-V, expected V3O8F to be V3O5F" +mp-755528,V3O5F,-8.5771211372,-2.5886055001,0.0190796289,0.0190796289,GGA+U,P2/m,AB5C3_mP18_10_m_2m3n_cemn:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mP18_10_m_4m6n_ae2mn:F-O-V, expected V4O10F to be V3O5F" +mp-763338,V3O5F,-8.5726532367,-2.5841375996,0.0235475294,0.0235475294,GGA+U,C2/m,AB5C3_mC36_12_i_g2ij_ac2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mC36_12_i_2g4i3j_ad3i:F-O-V, expected V4O12F to be V3O5F" +mp-763912,V3O5F,-8.5757977744,-2.5872821374,0.0204029917,0.0204029917,GGA+U,C2/m,AB5C3_mC36_12_i_g2ij_ad2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mC36_12_i_2g4i2j_ac2i:F-O-V, expected V3O10F to be V3O5F" +mp-763950,V3O5F,-8.5483489283,-2.5598332912,0.0478518378,0.0478518378,GGA+U,C2/m,AB5C3_mC36_12_i_g2ij_ac2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mC36_12_i_2g3i3j_ad4i:F-O-V, expected V5O11F to be V3O5F" +mp-760334,V3O5F,-8.5706626306,-2.5821469935,0.0255381356,0.0255381356,GGA+U,C2/m,AB5C3_mC36_12_i_g2ij_ac2i:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_mC36_12_i_2g4i2j_ad3i:F-O-V, expected V4O10F to be V3O5F" +mp-763291,V3O5F,-8.592987666700001,-2.6044720296,0.0032130994,0.0032130994,GGA+U,Pmn2_1,AB5C3_oP18_31_a_5a_3a:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_oP18_31_a_10a_5a:F-O-V, expected V5O10F to be V3O5F" +mp-753034,V3O5F,-8.5329736144,-2.5444579774,0.0632271517,0.0632271517,GGA+U,Pmn2_1,AB5C3_oP18_31_a_a2b_ab:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_oP18_31_a_2a4b_2a3b:F-O-V, expected V8O10F to be V3O5F" +mp-1101184,V3O5F,-8.579896186100001,-2.591380549,0.01630458,0.01630458,GGA+U,Amm2,AB5C3_oC36_38_c_2acef_ab2c:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_oC36_38_c_2ac2e2f_ab2c:F-O-V, expected V3O8F to be V3O5F" +mp-757857,V3O5F,-8.5560974144,-2.5675817774,0.0401033517,0.0401033517,GGA+U,Cmmm,AB5C3_oC36_65_g_2gjq_acgh:F-O-V,18.0,"Invalid WP multiplicities - AB5C3_oC36_65_g_3g2j2q_acg2h:F-O-V, expected V4O9F to be V3O5F" +mp-763169,V2(OF)3,-7.4995968858,-2.6568074888,0.0083957553,0.0083957553,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-850989,V2(OF)3,-7.4892358812,-2.6464464842,0.0187567599,0.0187567599,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-754244,V2(OF)3,-7.48654128,-2.643751883,0.0214513612,0.0214513612,GGA+U,P1,A3B3C2_aP16_1_6a_6a_4a:F-O-V,16.0,A3B3C2_aP16_1_6a_6a_4a:F-O-V +mp-754270,V2(OF)3,-7.4847109075,-2.6419215105,0.0232817337,0.0232817337,GGA+U,P1,A3B3C2_aP8_1_3a_3a_2a:F-O-V,8.0,A3B3C2_aP8_1_3a_3a_2a:F-O-V +mp-808843,V2(OF)3,-0.9021825962,3.9406068008,6.6058100449,6.6058100449,GGA+U,P1,A3B3C2_aP8_1_3a_3a_2a:F-O-V,8.0,A3B3C2_aP8_1_3a_3a_2a:F-O-V +mp-763965,V2(OF)3,-7.4912491963,-2.6484597992000003,0.0167434449,0.0167434449,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-764087,V2(OF)3,-7.4949106221,-2.6521212251,0.0130820191,0.0130820191,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-756882,V2(OF)3,-7.4777168942,-2.6349274971,0.030275747,0.030275747,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-776574,V2(OF)3,-7.4908466354,-2.6480572384,0.0171460058,0.0171460058,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-1101234,V2(OF)3,-7.4935692371,-2.6507798401,0.0144234041,0.0144234041,GGA+U,P1,A3B3C2_aP24_1_9a_9a_6a:F-O-V,24.0,A3B3C2_aP24_1_9a_9a_6a:F-O-V +mp-1385392,V2(OF)3,-2.701920235,2.140869162,4.8060724062,4.8060724062,GGA+U,P1,A3B3C2_aP8_1_3a_3a_2a:F-O-V,8.0,A3B3C2_aP8_1_3a_3a_2a:F-O-V +mp-2215029,V2(OF)3,-7.4745966325,-2.6318072355,0.0333960087,0.0333960087,GGA+U,P1,A3B3C2_aP16_1_6a_6a_4a:F-O-V,16.0,A3B3C2_aP16_1_6a_6a_4a:F-O-V +mp-2214695,V2(OF)3,-7.4882977431,-2.6455083461,0.0196948981,0.0196948981,GGA+U,P1,A3B3C2_aP16_1_6a_6a_4a:F-O-V,16.0,A3B3C2_aP16_1_6a_6a_4a:F-O-V +mp-758518,V2(OF)3,-7.4389173281,-2.5961279311,0.0690753131,0.0690753131,GGA+U,P2,A3B3C2_mP16_3_ad2e_bc2e_2e:F-O-V,16.0,A3B3C2_mP16_3_ac2e_bd2e_2e:F-O-V +mp-752980,V2(OF)3,-7.4746677388,-2.6318783417,0.0333249024,0.0333249024,GGA+U,C2,A3B3C2_mC32_5_3c_ab2c_2c:F-O-V,16.0,"Invalid WP multiplicities - A3B3C2_mC32_5_5c_ab2c_2c:F-O-V, expected V2O3F5 to be V2(OF)3" +mp-1568124,V3OF7,-7.1599169627,-3.0163933542,0.1031295586,0.1031295586,GGA+U,P-1,A7BC3_aP22_2_7i_i_3i:F-O-V,22.0,"Invalid WP multiplicities - A7BC3_mC44_15_e3f_e_e2f:F-O-V, expected V5OF7 to be V3OF7" +mp-1567687,V3OF7,-7.1681508414,-3.0246272328,0.09489568,0.09489568,GGA+U,C2/m,A7BC3_mC44_12_7i_i_3i:F-O-V,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_c3f_c_2c2f:F-O-V, expected V6OF7 to be V3OF7" +mp-1101183,V3OF7,-7.160967542,-3.0174439335,0.1020789793,0.1020789793,GGA+U,Pnma,A7BC3_oP44_62_c3d_c_cd:F-O-V,44.0,"Invalid WP multiplicities - A7BC3_oC44_63_3c10f_c_3c2f:F-O-V, expected V7OF23 to be V3OF7" +mp-761145,V3OF7,-7.1698314514,-3.0263078428,0.09321507,0.09321507,GGA+U,Cmcm,A7BC3_oC44_63_c3f_c_cf:F-O-V,22.0,"Invalid WP multiplicities - A7BC3_oC44_63_2c5f_c_2cf:F-O-V, expected V4OF12 to be V3OF7" +mp-1101248,V2OF6,-6.6936439806,-2.8510467965,0.0909425142,0.0909425142,GGA+U,P1,A6BC2_aP18_1_12a_2a_4a:F-O-V,18.0,A6BC2_aP18_1_12a_2a_4a:F-O-V +mp-1216994,V2OF6,-6.2063872989,-2.3637901149,0.5781991959,0.5781991959,GGA+U,Ima2,A6BC2_oI36_46_2b2c_b_ab:F-O-V,18.0,"Invalid WP multiplicities - A6BC2_oI36_46_4b8c_b_ab:F-O-V, expected V2OF20 to be V2OF6" +mp-1191633,VO2F3,-5.9325028496000005,-1.8138827837,0.4480599052,0.4480599052,GGA+U,P2_1/c,A3B2C_mP24_14_3e_2e_ad:F-O-V,24.0,A3B2C_mP24_14_3e_2e_ab:F-O-V +mp-760358,V4OF11,-7.0263556566,-3.1320693045,0.0023226493,0.0023226493,GGA+U,P1,A11BC4_aP32_1_22a_2a_8a:F-O-V,32.0,A11BC4_aP32_1_22a_2a_8a:F-O-V +mp-764606,V4OF11,-7.0269196763,-3.1326333241,0.0017586296,0.0017586296,GGA+U,P1,A11BC4_aP32_1_22a_2a_8a:F-O-V,32.0,A11BC4_aP32_1_22a_2a_8a:F-O-V +mp-764086,V4OF11,-7.0264657056,-3.1321793535,0.0022126002,0.0022126002,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-799001,V4OF11,-3.6926032106,0.2016831415,3.3360750952,3.3360750952,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-760914,V4OF11,-7.0269247269,-3.1326383748,0.001753579,0.001753579,GGA+U,P1,A11BC4_aP32_1_22a_2a_8a:F-O-V,32.0,A11BC4_aP32_1_22a_2a_8a:F-O-V +mp-779609,V4OF11,-7.0264164728,-3.1321301207,0.002261833,0.002261833,GGA+U,P1,A11BC4_aP32_1_22a_2a_8a:F-O-V,32.0,A11BC4_aP32_1_22a_2a_8a:F-O-V +mp-754461,V4OF11,-7.0257742838,-3.1314879316,0.0029040221,0.0029040221,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-1303638,V4OF11,-7.0259924494,-3.1317060973,0.0026858565,0.0026858565,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-1302830,V4OF11,-7.0261520163,-3.1318656641,0.0025262896,0.0025262896,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-1393057,V4OF11,-5.5789211881,-1.684634836,1.4497571177,1.4497571177,GGA+U,P1,A11BC4_aP16_1_11a_a_4a:F-O-V,16.0,A11BC4_aP16_1_11a_a_4a:F-O-V +mp-760888,V4OF11,-7.0270919338,-3.1328055816,0.0015863721,0.0015863721,GGA+U,P-1,A11BC4_aP32_2_11i_i_bc3i:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_aP32_2_22i_i_bc5i:F-O-V, expected V6OF22 to be V4OF11" +mp-764470,V4OF11,-7.0267916322,-3.1325052801,0.0018866736,0.0018866736,GGA+U,P-1,A11BC4_aP32_2_11i_i_be3i:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_aP32_2_21i_i_be5i:F-O-V, expected V6OF21 to be V4OF11" +mp-756220,V4OF11,-7.0266802628,-3.1323939107,0.001998043,0.001998043,GGA+U,P-1,A11BC4_aP32_2_11i_i_bc3i:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_aP32_2_20i_i_bc5i:F-O-V, expected V6OF20 to be V4OF11" +mp-779347,V4OF11,-7.0267711137,-3.1324847616,0.0019071921,0.0019071921,GGA+U,P-1,A11BC4_aP32_2_11i_i_bc3i:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_aP32_2_22i_i_bc5i:F-O-V, expected V6OF22 to be V4OF11" +mp-780699,V4OF11,-7.0156796606,-3.1213933085,0.0129986452,0.0129986452,GGA+U,P2,A11BC4_mP16_3_abc4e_d_2e:F-O-V,16.0,A11BC4_mP16_3_abc4e_d_2e:F-O-V +mp-774387,V4OF11,-7.02585169,-3.1315653379,0.0028266158,0.0028266158,GGA+U,C2,A11BC4_mC64_5_ab10c_c_4c:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_mC64_5_ab18c_c_8c:F-O-V, expected V8OF19 to be V4OF11" +mp-781049,V4OF11,-7.0266095512,-3.1323231991,0.0020687546,0.0020687546,GGA+U,C2,A11BC4_mC64_5_ab10c_c_4c:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_mC64_5_ab16c_c_8c:F-O-V, expected V8OF17 to be V4OF11" +mp-756822,V4OF11,-7.0189383738,-3.1246520216,0.0097399321,0.0097399321,GGA+U,C2,A11BC4_mC32_5_a5c_b_2c:F-O-V,16.0,"Invalid WP multiplicities - A11BC4_mC32_5_a8c_b_3c:F-O-V, expected V6OF17 to be V4OF11" +mp-1101212,V4OF11,-7.0270376391,-3.132751287,0.0016406668,0.0016406668,GGA+U,C2,A11BC4_mC64_5_ab10c_c_4c:F-O-V,32.0,"Invalid WP multiplicities - A11BC4_mC64_5_ab16c_c_8c:F-O-V, expected V8OF17 to be V4OF11" +mp-758958,V4OF12,-6.75399892,-2.9763482964,0.0989796075,0.0989796075,GGA+U,P1,A12BC4_aP17_1_12a_a_4a:F-O-V,17.0,A12BC4_aP17_1_12a_a_4a:F-O-V +mp-762980,VO2F,-7.6500076513,-2.4278170362,0.0389471573,0.0389471573,GGA+U,P1,AB2C_aP24_1_6a_12a_6a:F-O-V,24.0,AB2C_aP24_1_6a_12a_6a:F-O-V +mp-778616,VO2F,-7.6604403131,-2.4382496981,0.0285144954,0.0285144954,GGA+U,P1,AB2C_aP16_1_4a_8a_4a:F-O-V,16.0,AB2C_aP16_1_4a_8a_4a:F-O-V +mp-754683,VO2F,-7.6655265912,-2.4433359762,0.0234282173,0.0234282173,GGA+U,P1,AB2C_aP24_1_6a_12a_6a:F-O-V,24.0,AB2C_aP24_1_6a_12a_6a:F-O-V +mp-760933,VO2F,-7.65824301,-2.436052395,0.0307117985,0.0307117985,GGA+U,P1,AB2C_aP24_1_6a_12a_6a:F-O-V,24.0,AB2C_aP24_1_6a_12a_6a:F-O-V +mp-764002,VO2F,-7.6436243854,-2.4214337704,0.0453304231,0.0453304231,GGA+U,P1,AB2C_aP24_1_6a_12a_6a:F-O-V,24.0,AB2C_aP24_1_6a_12a_6a:F-O-V +mp-752934,VO2F,-7.603675649599999,-2.3814850346,0.085279159,0.085279159,GGA+U,P-1,AB2C_aP24_2_3i_6i_ae2i:F-O-V,24.0,"Invalid WP multiplicities - AB2C_aP24_2_5i_12i_ae4i:F-O-V, expected V5O12F5 to be VO2F" +mp-765735,VO2F,-7.62022666,-2.398036045,0.0687281485,0.0687281485,GGA+U,P-1,AB2C_aP24_2_3i_6i_ab2i:F-O-V,24.0,AB2C_aP24_2_5i_10i_ab4i:F-O-V +mp-779090,VO2F,-7.6199180529,-2.3977274379,0.0690367556,0.0690367556,GGA+U,P-1,AB2C_aP24_2_3i_6i_ab2i:F-O-V,24.0,"Invalid WP multiplicities - AB2C_aP24_2_6i_11i_ab3i:F-O-V, expected V4O11F6 to be VO2F" +mp-760938,VO2F,-7.6205696563,-2.3983790413,0.0683851523,0.0683851523,GGA+U,P-1,AB2C_aP24_2_3i_6i_ab2i:F-O-V,24.0,"Invalid WP multiplicities - AB2C_aP24_2_4i_10i_ab4i:F-O-V, expected V5(O5F2)2 to be VO2F" +mp-755077,VO2F,-7.6304502488,-2.4082596338,0.0585045598,0.0585045598,GGA+U,P-1,AB2C_aP16_2_2i_4i_bei:F-O-V,16.0,"Invalid WP multiplicities - AB2C_aP16_2_3i_7i_be2i:F-O-V, expected V3O7F3 to be VO2F" +mp-764057,VO2F,-7.6358296546,-2.4136390396,0.053125154,0.053125154,GGA+U,C2,AB2C_mC48_5_3c_ab5c_3c:F-O-V,24.0,"Invalid WP multiplicities - AB2C_mC48_5_4c_ab9c_4c:F-O-V, expected V2O5F2 to be VO2F" +mp-752960,VO2F,-7.626841315,-2.4046507,0.0621134935,0.0621134935,GGA+U,Cm,AB2C_mC8_8_a_2a_a:F-O-V,4.0,AB2C_mC8_8_a_2a_a:F-O-V +mp-831258,VO2F,-7.6550224867,-2.4328318717,0.0339323219,0.0339323219,GGA+U,Cc,AB2C_mC48_9_3a_6a_3a:F-O-V,24.0,"Invalid WP multiplicities - AB2C_mC48_9_5a_10a_3a:F-O-V, expected V3(O2F)5 to be VO2F" +mp-759469,VO2F,-7.6523777108,-2.4301870958,0.0365770977,0.0365770977,GGA+U,Cc,AB2C_mC48_9_3a_6a_3a:F-O-V,24.0,"Invalid WP multiplicities - AB2C_mC48_9_6a_11a_5a:F-O-V, expected V5O11F6 to be VO2F" +mp-753203,VO2F,-7.6822515362,-2.4600609213,0.0067032723,0.0067032723,GGA+U,Cc,AB2C_mC16_9_a_2a_a:F-O-V,8.0,"Invalid WP multiplicities - AB2C_mC16_9_a_4a_a:F-O-V, expected VO4F to be VO2F" +mp-766424,VO2F,-7.6450148772,-2.4228242622,0.0439399314,0.0439399314,GGA+U,P2_1/c,AB2C_mP32_14_2e_4e_2e:F-O-V,32.0,"Invalid WP multiplicities - AB2C_mP32_14_5e_13e_5e:F-O-V, expected V5O13F5 to be VO2F" +mp-752776,VO2F,-7.6099418031,-2.3877511881,0.0790130054,0.0790130054,GGA+U,P2_1/c,AB2C_mP16_14_e_2e_e:F-O-V,16.0,AB2C_mP16_14_e_2e_e:F-O-V +mp-756042,VO2F,-7.6502519106,-2.4280612956,0.0387028979,0.0387028979,GGA+U,P2_12_12_1,AB2C_oP16_19_a_2a_a:F-O-V,16.0,"Invalid WP multiplicities - AB2C_oP16_19_a_5a_a:F-O-V, expected VO5F to be VO2F" +mp-753014,VO2F,-7.6835883288,-2.4613977138,0.0053664798,0.0053664798,GGA+U,Pnma,AB2C_oP16_62_c_2c_c:F-O-V,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:F-O-V, expected VO5F to be VO2F" +mp-752631,VO2F,-7.6710333162,-2.4488427012,0.0179214923,0.0179214923,GGA+U,P3_1,AB2C_hP24_144_2a_4a_2a:F-O-V,24.0,"Invalid WP multiplicities - AB2C_hP24_144_4a_9a_5a:F-O-V, expected V5O9F4 to be VO2F" +mp-760115,V3(OF)4,-7.6309022355,-2.6595941514,0.1020635358,0.1020635358,GGA+U,Pm,A4B4C3_mP11_6_2a2b_2a2b_2ab:F-O-V,11.0,A4B4C3_mP11_6_2a2b_2a2b_2ab:F-O-V +mp-1101223,V2OF8,-6.2436826216,-2.7521978406,0.0123980357,0.0123980357,GGA+U,P2/c,A8BC2_mP44_13_ef7g_g_2g:F-O-V,44.0,"Invalid WP multiplicities - A8BC2_mP44_13_2e2f27g_g_3g:F-O-V, expected V3OF29 to be V2OF8" +mp-759879,V6O5F8,-7.8137340036,-2.8385386501000003,0.0867154514,0.0867154514,GGA+U,P2_1/c,A8B5C6_mP76_14_8e_5e_6e:F-O-V,76.0,"Invalid WP multiplicities - A8B5C6_mP76_14_22e_13e_15e:F-O-V, expected V15O13F22 to be V6O5F8" +mp-776538,V4O7F5,-7.5788863666,-2.5463963605,0.0195873583,0.0195873583,GGA+U,P1,A5B7C4_aP32_1_10a_14a_8a:F-O-V,32.0,A5B7C4_aP32_1_10a_14a_8a:F-O-V +mp-763427,V4O7F5,-7.5569913231,-2.5245013171,0.0414824017,0.0414824017,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-754287,V4O7F5,-7.5584292587,-2.5259392527,0.0400444661,0.0400444661,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-759555,V4O7F5,-7.5802735038,-2.5477834977,0.0182002211,0.0182002211,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-800300,V4O7F5,-2.3644403187,2.6680496873,5.2340334061,5.2340334061,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-760947,V4O7F5,-7.5901232531,-2.5576332471,0.0083504717,0.0083504717,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-763976,V4O7F5,-7.5536746525,-2.5211846465,0.0447990724,0.0447990724,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-764058,V4O7F5,-7.5828009169,-2.5503109109,0.015672808,0.015672808,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-800320,V4O7F5,-3.0137247712,2.0187652348,4.5847489536,4.5847489536,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-754652,V4O7F5,-7.5547648756,-2.5222748696,0.0437088492,0.0437088492,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-752866,V4O7F5,-7.5903001094,-2.5578101034,0.0081736155,0.0081736155,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-753334,V4O7F5,-7.5807318525,-2.5482418465,0.0177418724,0.0177418724,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-800090,V4O7F5,-3.0865881381,1.9459018679,4.5118855867,4.5118855867,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-1395214,V4O7F5,-5.7436710362,-0.7111810302,1.8548026886,1.8548026886,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-1389901,V4O7F5,-5.7990955412,-0.7666055352000001,1.7993781836,1.7993781836,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-1406304,V4O7F5,-5.8525047344,-0.8200147284,1.7459689905,1.7459689905,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-2214661,V4O7F5,-7.5567540581,-2.5242640521,0.0417196667,0.0417196667,GGA+U,P1,A5B7C4_aP16_1_5a_7a_4a:F-O-V,16.0,A5B7C4_aP16_1_5a_7a_4a:F-O-V +mp-755118,V4O7F5,-7.5346416937,-2.5021516877,0.0638320311,0.0638320311,GGA+U,P2,A5B7C4_mP16_3_a2e_bcd2e_2e:F-O-V,16.0,A5B7C4_mP16_3_a2e_bcd2e_2e:F-O-V +mp-759676,V4O7F5,-7.5709468175,-2.5384568115,0.0275269074,0.0275269074,GGA+U,C2,A5B7C4_mC32_5_a2c_b3c_2c:F-O-V,16.0,"Invalid WP multiplicities - A5B7C4_mC32_5_a2c_b5c_2c:F-O-V, expected V4O11F5 to be V4O7F5" +mp-760069,V2OF4,-7.3542674086,-2.9599221627,0.1010117436,0.1010117436,GGA+U,C2/c,A4BC2_mC28_15_2f_e_f:F-O-V,14.0,"Invalid WP multiplicities - A4BC2_mC28_15_3f_e_f:F-O-V, expected V2OF6 to be V2OF4" +mp-780763,V2OF5,-7.1278637591,-3.043876798,0.0028534351,0.0014065193,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-764715,V2OF5,-7.0877475281,-3.003760567,0.042969666,0.0415227502,GGA+U,P1,A5BC2_aP8_1_5a_a_2a:F-O-V,16.0,"Invalid WP multiplicities - A5BC2_aP8_1_5a_a_4a:F-O-V, expected V4OF5 to be V2OF5" +mp-754609,V2OF5,-7.1261819329,-3.0421949718,0.0045352612,0.0030883454,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-764744,V2OF5,-7.1291946788,-3.0452077177,0.0015225154,7.559960000000001e-05,GGA+U,P1,A5BC2_aP8_1_5a_a_2a:F-O-V,8.0,A5BC2_aP8_1_5a_a_2a:F-O-V +mp-759829,V2OF5,-7.0763042591,-2.992317298,0.0544129351,0.0529660193,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-763192,V2OF5,-7.1242045167,-3.0402175556,0.0065126775,0.0050657617,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-775438,V2OF5,-7.1283045731,-3.044317612,0.002412621,0.0009657052,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-756060,V2OF5,-7.1268410696,-3.0428541085,0.0038761246,0.0024292088,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-779365,V2OF5,-7.1280787004,-3.0440917393,0.0026384937,0.0011915779,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-760930,V2OF5,-7.1231320529,-3.0391450918,0.0075851412,0.0061382254,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-804269,V2OF5,-2.4364349854,1.6475519757,4.6942822087,4.6928352929,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-764159,V2OF5,-7.12768907,-3.0437021089,0.0030281242,0.0015812083,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-764448,V2OF5,-7.0882270508,-3.0042400897,0.0424901433,0.0410432275,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-851257,V2OF5,-7.1278462116,-3.0438592505,0.0028709826,0.0014240668,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-1101227,V2OF5,-7.0900098225,-3.0060228614,0.0407073717,0.0392604558,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-1101272,V2OF5,-7.1264810444,-3.0424940833,0.0042361498,0.002789234,GGA+U,P1,A5BC2_aP32_1_20a_4a_8a:F-O-V,32.0,A5BC2_aP32_1_20a_4a_8a:F-O-V +mp-1376078,V2OF5,-4.9550592975,-0.8710723364,2.1756578967,2.1742109808,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-1574300,V2OF5,-7.1282478792,-3.0442609181,0.002469315,0.0010223992,GGA+U,P1,A5BC2_aP24_1_15a_3a_6a:F-O-V,24.0,A5BC2_aP24_1_15a_3a_6a:F-O-V +mp-776577,V2OF5,-7.1273119172,-3.0433249561,0.003405277,0.0019583611,GGA+U,C2,A5BC2_mC64_5_ab9c_2c_4c:F-O-V,32.0,"Invalid WP multiplicities - A5BC2_mC64_5_ab14c_3c_8c:F-O-V, expected V8(OF5)3 to be V2OF5" +mp-756285,V2OF5,-7.1285578419,-3.0445708808,0.0021593523,0.0007124365,GGA+U,C2,A5BC2_mC32_5_ab4c_c_2c:F-O-V,16.0,"Invalid WP multiplicities - A5BC2_mC32_5_ab8c_c_3c:F-O-V, expected V3OF9 to be V2OF5" +mp-752867,V2OF5,-7.0604769738,-2.9764900127,0.0702402204,0.0687933046,GGA+U,C2,A5BC2_mC16_5_a2c_b_c:F-O-V,8.0,A5BC2_mC16_5_a2c_b_c:F-O-V +mp-758804,V2OF5,-7.100126155,-3.0161391939,0.0305910392,0.0291441233,GGA+U,C2,A5BC2_mC16_5_a2c_b_c:F-O-V,8.0,"Invalid WP multiplicities - A5BC2_mC16_5_a3c_b_c:F-O-V, expected V2OF7 to be V2OF5" +mp-761186,V2OF5,-7.0595800083,-2.9755930472000003,0.0711371858,0.06969027,GGA+U,C2,A5BC2_mC48_5_2ab6c_a2b_3c:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_mC48_5_2ab11c_a2b_4c:F-O-V, expected V8O3F25 to be V2OF5" +mp-759520,V2OF5,-7.0971181416,-3.0131311805,0.0335990526,0.0321521368,GGA+U,C2,A5BC2_mC64_5_10c_abc_4c:F-O-V,32.0,"Invalid WP multiplicities - A5BC2_mC64_5_18c_abc_8c:F-O-V, expected V4OF9 to be V2OF5" +mp-752757,V2OF5,-7.0882798525,-3.0042928914,0.0424373417,0.0409904258,GGA+U,Pc,A5BC2_mP16_7_5a_a_2a:F-O-V,16.0,"Invalid WP multiplicities - A5BC2_mP16_7_10a_a_4a:F-O-V, expected V4OF10 to be V2OF5" +mp-752923,V2OF5,-7.1255550313,-3.0415680702,0.0051621629,0.0037152471,GGA+U,Pc,A5BC2_mP16_7_5a_a_2a:F-O-V,16.0,"Invalid WP multiplicities - A5BC2_mP16_7_9a_a_2a:F-O-V, expected V2OF9 to be V2OF5" +mp-761130,V2OF5,-7.0756681713,-2.9916812102,0.0550490229,0.0536021071,GGA+U,Pc,A5BC2_mP32_7_10a_2a_4a:F-O-V,32.0,"Invalid WP multiplicities - A5BC2_mP32_7_20a_3a_7a:F-O-V, expected V7O3F20 to be V2OF5" +mp-764367,V2OF5,-7.0909977766,-3.0070108155,0.0397194176,0.0382725018,GGA+U,Cc,A5BC2_mC64_9_10a_2a_4a:F-O-V,32.0,"Invalid WP multiplicities - A5BC2_mC64_9_19a_2a_8a:F-O-V, expected V8O2F19 to be V2OF5" +mp-764357,V2OF5,-7.078673545,-2.9946865839,0.0520436492,0.0505967333,GGA+U,P3,A5BC2_hP24_143_5d_d_2d:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_143_12d_d_4d:F-O-V, expected V4OF12 to be V2OF5" +mp-1574993,V2OF5,-7.1307171942,-3.0467302331,0.0,-0.0014469158,GGA+U,P3_1,A5BC2_hP24_144_5a_a_2a:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_144_10a_a_4a:F-O-V, expected V4OF10 to be V2OF5" +mp-1648259,V2OF5,-7.1293695933,-3.0453826322,0.0013476008,-9.9315e-05,GGA+U,P3_2,A5BC2_hP24_145_5a_a_2a:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_145_8a_a_3a:F-O-V, expected V3OF8 to be V2OF5" +mp-759739,V2OF5,-7.0538586988,-2.9698717377,0.0768584954,0.0754115796,GGA+U,P312,A5BC2_hP24_149_2j3k_j_l:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_149_4j8k_j_l:F-O-V, expected V2OF12 to be V2OF5" +mp-777821,V2OF5,-7.1130189721,-3.029032011,0.0176982221,0.0162513063,GGA+U,P3_121,A5BC2_hP24_152_a2c_b_c:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_152_2a3c_b_c:F-O-V, expected V2OF8 to be V2OF5" +mp-753036,V2OF5,-7.1106635429,-3.0266765818,0.0200536512,0.0186067354,GGA+U,P3_221,A5BC2_hP24_154_a2c_b_c:F-O-V,24.0,"Invalid WP multiplicities - A5BC2_hP24_154_3a6c_b_c:F-O-V, expected V2OF15 to be V2OF5" +mp-1194388,VAgOF4,-5.8621050896,-2.3608098533,0.0,-0.0694185886,GGA+U,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Ag-F-O-V,28.0,AB4CD_mP28_14_e_4e_e_e:Ag-F-O-V +mp-754530,V4O3F5,-7.8857962875,-2.8247058499,0.0598630079,0.0598630079,GGA+U,Imm2,A5B3C4_oI24_44_ae_a2b_abc:F-O-V,12.0,"Invalid WP multiplicities - A5B3C4_oI24_44_a2e_a2b_abc:F-O-V, expected V4(OF3)3 to be V4O3F5" +mp-777342,V4(OF3)3,-7.2292793675,-2.9555917974,0.0013063413,-0.0022126275,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-849409,V4(OF3)3,-7.2242453166,-2.9505577465,0.0063403922,0.0028214234,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-774383,V4(OF3)3,-7.2245658628,-2.9508782927,0.0060198459,0.0025008772,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-774388,V4(OF3)3,-7.2295045938,-2.9558170237,0.001081115,-0.0024378537,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-861804,V4(OF3)3,-2.4448198487,1.8288677213,4.78576586,4.7822468913,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-755229,V4(OF3)3,-7.2300799081,-2.956392338,0.0005058006,-0.0030131681,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-759200,V4(OF3)3,-7.2290983094,-2.9554107393,0.0014873994,-0.0020315694,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-755079,V4(OF3)3,-7.2168828975,-2.9431953274,0.0137028112,0.0101838425,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-778865,V4(OF3)3,-7.2285812672,-2.9548936971,0.0020044416,-0.0015145272,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-779309,V4(OF3)3,-7.2299092575,-2.9562216874,0.0006764513,-0.0028425175,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-777880,V4(OF3)3,-7.2254672588,-2.9517796887000003,0.00511845,0.0015994813,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-775103,V4(OF3)3,-7.2305857088,-2.9568981387,0.0,-0.0035189687,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-759085,V4(OF3)3,-7.2287135163,-2.9550259462,0.0018721925,-0.0016467762,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-764879,V4(OF3)3,-7.2290203384,-2.9553327684,0.0015653703,-0.0019535984,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-759536,V4(OF3)3,-7.2294097478,-2.9557221777,0.0011759609,-0.0023430078,GGA+U,P1,A9B3C4_aP32_1_18a_6a_8a:F-O-V,32.0,A9B3C4_aP32_1_18a_6a_8a:F-O-V +mp-1101222,V4(OF3)3,-7.216669805,-2.9429822349,0.0139159038,0.010396935,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-1389506,V4(OF3)3,-5.619500185,-1.3458126149,1.6110855237,1.607566555,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-1408860,V4(OF3)3,-5.6268408475000005,-1.3531532774,1.6037448612,1.6002258925,GGA+U,P1,A9B3C4_aP16_1_9a_3a_4a:F-O-V,16.0,A9B3C4_aP16_1_9a_3a_4a:F-O-V +mp-759542,V4(OF3)3,-7.1963548138,-2.9226672437000003,0.034230895,0.0307119263,GGA+U,P2,A9B3C4_mP16_3_a4e_bcd_2e:F-O-V,16.0,A9B3C4_mP16_3_a4e_bcd_2e:F-O-V +mp-850332,V4(OF3)3,-7.2227704419,-2.9490828718,0.0078152669,0.0042962981,GGA+U,C2,A9B3C4_mC32_5_a4c_bc_2c:F-O-V,16.0,"Invalid WP multiplicities - A9B3C4_mC32_5_a7c_bc_2c:F-O-V, expected V4(OF5)3 to be V4(OF3)3" +mp-1101199,V4(OF3)3,-7.2128132731,-2.939125703,0.0177724356,0.0142534669,GGA+U,C2,A9B3C4_mC32_5_a4c_bc_2c:F-O-V,16.0,"Invalid WP multiplicities - A9B3C4_mC32_5_a6c_b2c_2c:F-O-V, expected V4O5F13 to be V4(OF3)3" +mp-704944,VAg2O3F,-6.0989858307,-1.5989053767,0.0154309239,0.0154309239,GGA+U,P2_1/c,A2BC3D_mP56_14_4e_2e_6e_2e:Ag-F-O-V,56.0,"Invalid WP multiplicities - A2BC3D_mP56_14_11e_6e_20e_6e:Ag-F-O-V, expected V6Ag11(O10F3)2 to be VAg2O3F" +mp-759705,V2OF7,-6.421899485,-2.7724141226,0.0857377853,0.0857377853,GGA+U,Pc,A7BC2_mP20_7_7a_a_2a:F-O-V,20.0,"Invalid WP multiplicities - A7BC2_mP20_7_14a_a_2a:F-O-V, expected V2OF14 to be V2OF7" +mp-765500,V2OF7,-6.439895268,-2.7904099056,0.0677420023,0.0677420023,GGA+U,Cm,A7BC2_mC20_8_3a2b_a_2a:F-O-V,10.0,A7BC2_mC20_8_3a2b_a_2a:F-O-V +mp-776474,VOF3,-6.644426971,-2.6914206342,0.0229105925,-0.0089205903,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:F-O-V,20.0,A3BC_aP20_1_12a_4a_4a:F-O-V +mp-850876,VOF3,-6.6371964195,-2.6841900828,0.030141144,-0.0016900388,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:F-O-V,20.0,A3BC_aP20_1_12a_4a_4a:F-O-V +mp-756077,VOF3,-6.6409554995,-2.6879491628,0.026382064,-0.0054491188,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:F-O-V,20.0,A3BC_aP20_1_12a_4a_4a:F-O-V +mp-776473,VOF3,-6.641668579,-2.6886622423,0.0256689845,-0.0061621983,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:F-O-V,20.0,A3BC_aP20_1_12a_4a_4a:F-O-V +mp-776441,VOF3,-6.604577832,-2.6515714952,0.0627597315,0.0309285487,GGA+U,P-1,A3BC_aP20_2_6i_2i_abi:F-O-V,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_3i_abi:F-O-V, expected V2O3F11 to be VOF3" +mp-775981,VOF3,-6.6042611815,-2.6512548448,0.063076382,0.0312451992,GGA+U,P-1,A3BC_aP20_2_6i_2i_bci:F-O-V,20.0,"Invalid WP multiplicities - A3BC_aP20_2_11i_3i_bc2i:F-O-V, expected V3O3F11 to be VOF3" +mp-781081,VOF3,-6.644945375,-2.6919390383,0.0223921885,-0.0094389943,GGA+U,P2_1,A3BC_mP10_4_3a_a_a:F-O-V,10.0,"Invalid WP multiplicities - A3BC_mP10_4_5a_a_a:F-O-V, expected VOF5 to be VOF3" +mp-760367,VOF3,-6.613691194,-2.6606848573,0.0536463695,0.0218151867,GGA+U,C2,A3BC_mC20_5_3c_c_c:F-O-V,10.0,"Invalid WP multiplicities - A3BC_mC20_5_6c_c_c:F-O-V, expected VOF6 to be VOF3" +mp-760313,VOF3,-6.571712244,-2.6187059072,0.0956253195,0.0637941367,GGA+U,C2,A3BC_mC20_5_3c_c_ab:F-O-V,10.0,"Invalid WP multiplicities - A3BC_mC20_5_6c_c_ab:F-O-V, expected VOF6 to be VOF3" +mp-754919,VOF3,-6.645721616,-2.6927152793,0.0216159475,-0.0102152353,GGA+U,Pc,A3BC_mP10_7_3a_a_a:F-O-V,10.0,"Invalid WP multiplicities - A3BC_mP10_7_6a_a_a:F-O-V, expected VOF6 to be VOF3" +mp-761122,VOF3,-6.642384792,-2.6893784552,0.0249527715,-0.0068784113,GGA+U,Pc,A3BC_mP20_7_6a_2a_2a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_mP20_7_12a_3a_4a:F-O-V, expected V4(OF4)3 to be VOF3" +mp-752787,VOF3,-6.6462010015,-2.6931946648,0.021136562,-0.0106946208,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:F-O-V,20.0,"Invalid WP multiplicities - A3BC_mP20_14_9e_e_e:F-O-V, expected VOF9 to be VOF3" +mp-759983,VOF3,-6.6223253245,-2.6693189878,0.045012239,0.0131810562,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:F-O-V,20.0,"Invalid WP multiplicities - A3BC_mP20_14_7e_e_e:F-O-V, expected VOF7 to be VOF3" +mp-760178,VOF3,-6.616277464,-2.6632711273,0.0510600995,0.0192289167,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:F-O-V,20.0,"Invalid WP multiplicities - A3BC_mP20_14_7e_e_e:F-O-V, expected VOF7 to be VOF3" +mp-556026,VOF3,-6.6673375635,-2.7143312268,0.0,-0.0318311828,GGA+U,P2_1/c,A3BC_mP20_14_3e_e_e:F-O-V,20.0,"Invalid WP multiplicities - A3BC_mP20_14_9e_e_e:F-O-V, expected VOF9 to be VOF3" +mp-753030,VOF3,-6.6469386455,-2.6939323088,0.020398918,-0.0114322648,GGA+U,P2_12_12_1,A3BC_oP20_19_3a_a_a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_oP20_19_9a_a_a:F-O-V, expected VOF9 to be VOF3" +mp-752824,VOF3,-6.638061386,-2.6850550492,0.0292761775,-0.0025550053,GGA+U,Pca2_1,A3BC_oP20_29_3a_a_a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_oP20_29_9a_a_a:F-O-V, expected VOF9 to be VOF3" +mp-760338,VOF3,-6.571033315,-2.6180269782,0.0963042485,0.0644730657,GGA+U,Pnc2,A3BC_oP20_30_3c_c_ab:F-O-V,20.0,"Invalid WP multiplicities - A3BC_oP20_30_9c_c_2a2b:F-O-V, expected V2OF9 to be VOF3" +mp-759725,VOF3,-6.6195179115,-2.6665115748,0.047819652,0.0159884692,GGA+U,Pna2_1,A3BC_oP20_33_3a_a_a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_oP20_33_6a_a_a:F-O-V, expected VOF6 to be VOF3" +mp-753525,VOF3,-6.64238605,-2.6893797133,0.0249515135,-0.0068796693,GGA+U,P4_1,A3BC_tP20_76_3a_a_a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_tP20_76_11a_a_a:F-O-V, expected VOF11 to be VOF3" +mp-761177,VOF3,-6.6092626005,-2.6562562638,0.058074963,0.0262437802,GGA+U,P4_1,A3BC_tP20_76_3a_a_a:F-O-V,20.0,"Invalid WP multiplicities - A3BC_tP20_76_11a_a_a:F-O-V, expected VOF11 to be VOF3" +mp-764274,VOF3,-6.656026608,-2.7030202713,0.0113109555,-0.0205202273,GGA+U,P-42_1m,A3BC_tP20_113_ef_e_e:F-O-V,20.0,"Invalid WP multiplicities - A3BC_tP20_113_3e2f_e_e:F-O-V, expected VOF7 to be VOF3" +mp-752919,V3(O2F)2,-8.3490595811,-2.6977894711,0.0315568761,0.0315568761,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-765508,V3(O2F)2,-8.3116330611,-2.6603629511,0.0689833961,0.0689833961,GGA+U,P1,A2B4C3_aP9_1_2a_4a_3a:F-O-V,9.0,A2B4C3_aP9_1_2a_4a_3a:F-O-V +mp-755290,V3(O2F)2,-8.3502675833,-2.6989974733,0.0303488739,0.0303488739,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-850288,V3(O2F)2,-8.3315992383,-2.6803291283,0.0490172189,0.0490172189,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-755768,V3(O2F)2,-8.3530428956,-2.7017727856,0.0275735617,0.0275735617,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-752481,V3(O2F)2,-8.3216214939,-2.6703513839,0.0589949633,0.0589949633,GGA+U,Pnnm,A2B4C3_oP18_58_g_2g_ag:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_oP18_58_g_7g_2a2g:F-O-V, expected V3O7F to be V3(O2F)2" +mp-1283489,V3(O2F)2,-8.3010090433,-2.6497389333,0.0796074139,0.0796074139,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-1282757,V3(O2F)2,-8.3523863511,-2.7011162411000003,0.0282301061,0.0282301061,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-1305869,V3(O2F)2,-8.3645321206,-2.7132620106000003,0.0160843367,0.0160843367,GGA+U,P1,A2B4C3_aP18_1_4a_8a_6a:F-O-V,18.0,A2B4C3_aP18_1_4a_8a_6a:F-O-V +mp-752875,V3(O2F)2,-8.3582708889,-2.7070007789,0.0223455683,0.0223455683,GGA+U,P-1,A2B4C3_aP18_2_2i_4i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_4i_8i_ae2i:F-O-V, expected V3(O2F)4 to be V3(O2F)2" +mp-755016,V3(O2F)2,-8.3576220228,-2.7063519128,0.0229944344,0.0229944344,GGA+U,P-1,A2B4C3_aP18_2_2i_4i_ab2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_4i_7i_ab3i:F-O-V, expected V4O7F4 to be V3(O2F)2" +mp-850206,V3(O2F)2,-8.361078415,-2.709808305,0.0195380422,0.0195380422,GGA+U,P-1,A2B4C3_aP18_2_2i_4i_ab2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_3i_8i_ab3i:F-O-V, expected V4O8F3 to be V3(O2F)2" +mp-760292,V3(O2F)2,-8.3359250478,-2.6846549378,0.0446914094,0.0446914094,GGA+U,P-1,A2B4C3_aP18_2_2i_4i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_3i_7i_ae3i:F-O-V, expected V4O7F3 to be V3(O2F)2" +mp-1306070,V3(O2F)2,-8.3610636511,-2.7097935411,0.0195528061,0.0195528061,GGA+U,P-1,A2B4C3_aP18_2_2i_4i_ae2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_3i_6i_ae4i:F-O-V, expected V5(O2F)3 to be V3(O2F)2" +mp-756089,V3(O2F)2,-8.3661853889,-2.7149152789,0.0144310683,0.0144310683,GGA+U,P2_1,A2B4C3_mP18_4_2a_4a_3a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mP18_4_2a_4a_6a:F-O-V, expected V3O2F to be V3(O2F)2" +mp-1290650,V3(O2F)2,-8.36095497,-2.70968486,0.0196614872,0.0196614872,GGA+U,P2_1,A2B4C3_mP18_4_2a_4a_3a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mP18_4_4a_8a_3a:F-O-V, expected V3(O2F)4 to be V3(O2F)2" +mp-756269,V3(O2F)2,-8.3523168433,-2.7010467333,0.0282996139,0.0282996139,GGA+U,C2,A2B4C3_mC36_5_2c_2a3c_ab2c:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mC36_5_2c_2a5c_ab2c:F-O-V, expected V3(O3F)2 to be V3(O2F)2" +mp-1274975,V3(O2F)2,-8.3689056267,-2.7176355167,0.0117108306,0.0117108306,GGA+U,Pc,A2B4C3_mP18_7_2a_4a_3a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mP18_14_e_2e_2a2e:F-O-V, expected V3O2F to be V3(O2F)2" +mp-780704,V3(O2F)2,-8.3487985367,-2.6975284267,0.0318179206,0.0318179206,GGA+U,Cm,A2B4C3_mC36_8_4a_2a3b_6a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mC36_8_4a_2a6b_6a:F-O-V, expected V3O7F2 to be V3(O2F)2" +mp-777051,V3(O2F)2,-8.3255523906,-2.6742822806,0.0550640667,0.0550640667,GGA+U,C2/m,A2B4C3_mC36_12_2i_gij_ac2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mC36_12_4i_2gi3j_ad4i:F-O-V, expected V5O9F4 to be V3(O2F)2" +mp-850979,V3(O2F)2,-8.3579291706,-2.7066590606,0.0226872867,0.0226872867,GGA+U,C2/m,A2B4C3_mC36_12_2i_gij_ad2i:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mC36_12_3i_2g2i3j_ac4i:F-O-V, expected V5O10F3 to be V3(O2F)2" +mp-764046,V3(O2F)2,-8.3463696317,-2.6950995217,0.0342468256,0.0342468256,GGA+U,P2_1/c,A2B4C3_mP18_14_e_2e_ae:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mP18_14_e_2e_2a2e:F-O-V, expected V3O2F to be V3(O2F)2" +mp-754729,V3(O2F)2,-8.3370305456,-2.6857604356,0.0435859117,0.0435859117,GGA+U,P2_1/c,A2B4C3_mP18_14_e_2e_ae:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_mP18_14_e_6e_2a3e:F-O-V, expected V4O6F to be V3(O2F)2" +mp-763290,V3(O2F)2,-8.364500485,-2.713230375,0.0161159722,0.0161159722,GGA+U,Pmn2_1,A2B4C3_oP18_31_2a_4a_3a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_oP18_31_2a_8a_5a:F-O-V, expected V5(O4F)2 to be V3(O2F)2" +mp-778167,V3(O2F)2,-8.3556286689,-2.7043585589,0.0249877883,0.0249877883,GGA+U,Pmn2_1,A2B4C3_oP18_31_b_2ab_ab:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_oP18_31_b_3ab_a2b:F-O-V, expected V5O5F2 to be V3(O2F)2" +mp-849219,V3(O2F)2,-8.2938927483,-2.6426226383,0.0867237089,0.0867237089,GGA+U,Amm2,A2B4C3_oC36_38_2ae_4a2e_3a3b:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_oC36_38_2a2e_4a3e_3a3b:F-O-V, expected V3O5F3 to be V3(O2F)2" +mp-754702,V3(O2F)2,-8.3283009133,-2.6770308033,0.0523155439,0.0523155439,GGA+U,Cmmm,A2B4C3_oC36_65_gj_2gq_acgh:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_oC36_65_2g2j_4g2q_ac2g2h:F-O-V, expected V5(O2F)4 to be V3(O2F)2" +mp-777500,V3(O2F)2,-8.35647316,-2.70520305,0.0241432972,0.0241432972,GGA+U,P4_2nm,A2B4C3_tP18_102_c_2c_3a:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_tP18_102_c_6c_5a:F-O-V, expected V5(O6F)2 to be V3(O2F)2" +mp-777386,V3(O2F)2,-8.31191715,-2.66064704,0.0686993072,0.0686993072,GGA+U,P4_2/mnm,A2B4C3_tP18_136_f_j_ae:F-O-V,18.0,"Invalid WP multiplicities - A2B4C3_tP18_136_f_j_2a3e:F-O-V, expected V4O2F to be V3(O2F)2" +mp-760107,V7(O2F3)3,-7.8558784941,-2.8344791548,0.079982235,0.079982235,GGA+U,Aea2,A9B6C7_oC176_41_9b_2a5b_7b:F-O-V,88.0,"Invalid WP multiplicities - A9B6C7_oC176_41_32b_4a19b_26b:F-O-V, expected V26O21F32 to be V7(O2F3)3" +mp-759157,V3(OF3)2,-7.358851565,-2.939399798,0.0805821182,0.0805821182,GGA+U,P-1,A6B2C3_aP22_2_6i_2i_3i:F-O-V,22.0,"Invalid WP multiplicities - A6B2C3_aP22_2_11i_3i_5i:F-O-V, expected V5O3F11 to be V3(OF3)2" +mp-1568809,V3(OF3)2,-7.3986732964,-2.9792215293,0.0407603868,0.0407603868,GGA+U,P-1,A6B2C3_aP22_2_6i_2i_bd2i:F-O-V,22.0,"Invalid WP multiplicities - A6B2C3_aP22_2_11i_3i_bd4i:F-O-V, expected V5O3F11 to be V3(OF3)2" +mp-1572351,V3(OF3)2,-7.39779541,-2.978343643,0.0416382732,0.0416382732,GGA+U,Pc,A6B2C3_mP22_7_6a_2a_3a:F-O-V,22.0,A6B2C3_mP22_7_12a_4a_6a:F-O-V +mp-764333,V3(OF3)2,-7.2659418118,-2.8464900448,0.1734918714,0.1734918714,GGA+U,P2_1/c,A6B2C3_mP22_14_3e_e_ae:F-O-V,22.0,"Invalid WP multiplicities - A6B2C3_mP22_14_9e_e_2a2e:F-O-V, expected V3OF9 to be V3(OF3)2" +mp-754260,V6O11F,-8.6829092906,-2.5257708899,0.0186336217,0.0186336217,GGA+U,P1,AB11C6_aP18_1_a_11a_6a:F-O-V,18.0,AB11C6_aP18_1_a_11a_6a:F-O-V +mp-758711,V6O11F,-8.6749709894,-2.5178325888,0.0265719228,0.0265719228,GGA+U,C2,AB11C6_mC36_5_a_a5c_ab2c:F-O-V,18.0,"Invalid WP multiplicities - AB11C6_mC36_5_a_a9c_ab3c:F-O-V, expected V8O19F to be V6O11F" +mp-755113,V6O11F,-8.6731631561,-2.5160247555,0.0283797561,0.0283797561,GGA+U,Cm,AB11C6_mC36_8_a_5a3b_6a:F-O-V,18.0,"Invalid WP multiplicities - AB11C6_mC36_8_a_5a6b_6a:F-O-V, expected V6O17F to be V6O11F" +mp-759689,V6O11F,-8.6766871811,-2.5195487805,0.0248557311,0.0248557311,GGA+U,Amm2,AB11C6_oC36_38_a_5a3e_3a3b:F-O-V,18.0,"Invalid WP multiplicities - AB11C6_oC36_38_a_5a5e_3a3b:F-O-V, expected V6O15F to be V6O11F" +mp-763992,V6O11F,-8.67896783,-2.5218294294,0.0225750822,0.0225750822,GGA+U,Amm2,AB11C6_oC36_38_a_a2cef_ab2c:F-O-V,18.0,"Invalid WP multiplicities - AB11C6_oC36_38_a_a2c2e3f_ab4c:F-O-V, expected V10O21F to be V6O11F" +mp-780119,V6O11F,-8.6708413717,-2.513702971,0.0307015406,0.0307015406,GGA+U,Amm2,AB11C6_oC36_38_a_a2d3e_abde:F-O-V,18.0,"Invalid WP multiplicities - AB11C6_oC36_38_a_a3d6e_ab2de:F-O-V, expected V8O19F to be V6O11F" +mp-1197781,BaU2I2O13,-7.3510238618,-2.2534971448,0.1314683255,0.1314683255,GGA,P2_1/c,AB2C13D2_mP72_14_e_2e_13e_2e:Ba-I-O-U,72.0,AB2C13D2_mP72_14_e_2e_13e_2e:Ba-I-O-U +mp-574430,BaUI6,-4.2843109325,-1.5279880513,0.0,-0.0022337784,GGA,Cc,AB6C_mC32_9_a_6a_a:Ba-I-U,16.0,"Invalid WP multiplicities - AB6C_mC32_9_a_9a_a:Ba-I-U, expected BaUI9 to be BaUI6" +mp-721713,H12Pd(I2N)4,-4.1454042536,-0.5043840596,0.0464256819,0.0464256819,GGA,P2_1/m,A12B8C4D_mP50_11_6f_8e_2f_e:H-I-N-Pd,50.0,A12B8C4D_mP50_11_6f_8e_2f_e:H-I-N-Pd +mp-1199414,Pd(IN)2,-3.9414981018,1.0184227702,1.3969004032,1.3969004032,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:I-N-Pd,40.0,A2B2C_oP40_61_2c_2c_c:I-N-Pd +mp-1223270,KYTa2O7,-9.3336702036,-3.3410114492,0.0859625814,0.0859625814,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:K-O-Ta-Y,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:K-O-Ta-Y, expected KYTa2O13 to be KYTa2O7" +mp-1211525,KZr6BI14,-4.9299365486,-1.3070673033,0.0,-0.0192196643,GGA,Cmce,AB14CD6_oC88_64_a_def2g_b_fg:B-I-K-Zr,44.0,AB14CD6_oC88_64_a_def2g_b_fg:B-I-K-Zr +mp-621932,K(Zr3I7)2,-4.254819009,-0.7774984554000001,0.4719270712,0.4719270712,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:I-K-Zr,42.0,"Invalid WP multiplicities - A14BC6_oC84_64_3d4e4f14g_a_3f4g:I-K-Zr, expected K(Zr11I39)2 to be K(Zr3I7)2" +mp-685503,K(Zr3I7)4,-4.541020448,-1.005970099,0.2297983812,0.2297983812,GGA,Aem2,A28BC12_oC328_39_ab8c23d_2c_8c8d:I-K-Zr,164.0,"Invalid WP multiplicities - A28BC12_oC328_39_2a2b16c87d_3c_16c32d:I-K-Zr, expected K3(Zr40I97)2 to be K(Zr3I7)4" +mp-571369,Y(BH4)3,-4.6217344709,-0.4206495355,0.0,-0.1149340638,GGA,Pa-3,A3B12C_cP128_205_d_4d_c:B-H-Y,128.0,"Invalid WP multiplicities - A3B12C_cP128_205_d_73d_c:B-H-Y, expected Y(BH73)3 to be Y(BH4)3" +mp-1025410,LuU2S3O2,-8.8678691037,-2.6920569084,0.0405945414,0.0405945414,GGA,I4/mmm,AB2C3D2_tI16_139_a_d_be_e:Lu-O-S-U,8.0,AB2C3D2_tI16_139_a_d_be_e:Lu-O-S-U +mp-556671,LuU4S5O4,-9.1793662657,-2.7396809272,0.0139630944,0.0139630944,GGA,I4/mmm,AB4C5D4_tI28_139_a_g_b2e_2e:Lu-O-S-U,14.0,"Invalid WP multiplicities - AB4C5D4_tI28_139_a_g_b4e_2e:Lu-O-S-U, expected LuU4S9O4 to be LuU4S5O4" +mp-1211930,KHo(SO5)2,-6.4219141255,-1.8910145067,0.2994308554,0.2994308554,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:Ho-K-O-S,56.0,ABC10D2_mP56_14_e_e_10e_2e:Ho-K-O-S +mp-1225609,Er2US3O2,-8.22598081,-2.8847839784,0.0256035649,0.0256035649,GGA,I4mm,A2B2C3D_tI16_107_2a_b_3a_a:Er-O-S-U,8.0,A2B2C3D_tI16_107_2a_b_3a_a:Er-O-S-U +mp-1225627,Er4US7,-7.01852086,-2.1420680002,0.1006549156,0.1006549156,GGA,Cm,A4B7C_mC24_8_4a_7a_a:Er-S-U,12.0,A4B7C_mC24_8_4a_7a_a:Er-S-U +mp-552802,ErU2S3O2,-8.8750839162,-2.6934256846,0.0325723789,0.0325723789,GGA,I4/mmm,AB2C3D2_tI16_139_a_d_be_e:Er-O-S-U,8.0,"Invalid WP multiplicities - AB2C3D2_tI16_139_a_d_b2e_e:Er-O-S-U, expected ErU2S5O2 to be ErU2S3O2" +mp-1204010,KLu(SO5)2,-6.4243661393,-1.8978564026,0.3009262856,0.3009262856,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:K-Lu-O-S,56.0,ABC10D2_mP56_14_e_e_10e_2e:K-Lu-O-S +mp-1007636,KLuS2,-5.60021015,-2.1241478498,0.0,-0.1974963288,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Lu-S,4.0,ABC2_hR12_166_a_b_c:K-Lu-S +mp-1043665,YTe(WO4)2,-8.5430054071,-2.2847098107,0.1397392805,0.1397392805,GGA+U,P-1,A8BC2D_aP24_2_8i_i_2i_i:O-Te-W-Y,24.0,"Invalid WP multiplicities - A8BC2D_aP24_2_14i_i_4i_i:O-Te-W-Y, expected YTe(W2O7)2 to be YTe(WO4)2" +mp-1047061,YTe(WO4)2,-8.4407553858,-2.1824597894,0.2419893017,0.2419893017,GGA+U,P-1,A8BC2D_aP12_2_4i_a_i_e:O-Te-W-Y,12.0,"Invalid WP multiplicities - A8BC2D_aP12_2_8i_a_i_e:O-Te-W-Y, expected YTe(WO8)2 to be YTe(WO4)2" +mp-732352,K2Pd(CO3)4,-6.5508877845,-1.0942769314,0.5355275155,0.5355275155,GGA,P2_1/c,A4B2C12D_mP38_14_2e_e_6e_a:C-K-O-Pd,38.0,A4B2C12D_mP38_14_2e_e_6e_a:C-K-O-Pd +mp-1068977,K2PdC2,-5.164803008,0.0067991298,0.022447647,0.022447647,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-K-Pd,5.0,A2B2C_hP5_164_c_d_a:C-K-Pd +mp-1211317,LaBWO6,-8.9383816283,-2.9101970313,0.0265270693,0.0265270693,GGA+U,P2_1,ABC6D_mP18_4_a_a_6a_a:B-La-O-W,18.0,ABC6D_mP18_4_a_a_6a_a:B-La-O-W +mp-554773,La3BWO9,-9.0294111771,-3.3890010545,0.0,-0.0072128825,GGA+U,P6_3,AB3C9D_hP28_173_a_c_3c_b:B-La-O-W,28.0,"Invalid WP multiplicities - AB3C9D_hP28_173_a_c_13c_b:B-La-O-W, expected La3BWO39 to be La3BWO9" +mp-6744,K2Fe(PS3)2,-5.117506115,-0.9051312679,0.0699747874,0.0699747874,GGA,P2_1/c,AB2C2D6_mP22_14_a_e_e_3e:Fe-K-P-S,22.0,"Invalid WP multiplicities - AB2C2D6_mP22_14_a_e_e_4e:Fe-K-P-S, expected K2Fe(PS4)2 to be K2Fe(PS3)2" +mp-1211499,KTlS2,-3.8091950156,-0.8727095588,0.001582044,0.001582044,GGA,C2/c,AB2C_mC64_15_2f_2e3f_2f:K-S-Tl,32.0,AB2C_mC64_15_2f_2e3f_2f:K-S-Tl +mp-1211257,KTl(SO4)2,-6.1111824358,-1.834561476,0.0,-0.0341871835,GGA,R32,AB8C2D_hR36_155_a_cf_c_b:K-O-S-Tl,12.0,AB8C2D_hR36_155_a_cf_c_b:K-O-S-Tl +mp-542638,K2Mn(PS3)2,-5.2544811405,-0.9791977404,0.0003087568,0.0003087568,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:K-Mn-P-S,22.0,A2BC2D6_mP22_14_e_a_e_3e:K-Mn-P-S +mp-13592,TlB(CN)4,-7.8622793625,0.0679882963,0.3691261374,0.3691261374,GGA,I4_1/a,AB4C4D_tI40_88_a_f_f_b:B-C-N-Tl,20.0,AB4C4D_tI40_88_a_f_f_b:B-C-N-Tl +mp-1228638,B2CN2,-8.558580925,-0.7064931482,0.4626108755,0.4626108755,GGA,R3m,A2BC2_hR30_160_4a_2a_4a:B-C-N,10.0,A2BC2_hR30_160_4a_2a_4a:B-C-N +mp-1208153,TlB(CN)2,-6.8159917671,0.546067525,1.0479639269,1.0479639269,GGA,I4_1/a,AB2C2D_tI48_88_c_f_f_d:B-C-N-Tl,24.0,AB2C2D_tI48_88_c_f_f_d:B-C-N-Tl +mp-989468,B2(CN2)3,-8.3636691591,-0.085146471,0.4462644489,0.4462644489,GGA,P-1,A2B3C6_aP44_2_4i_6i_12i:B-C-N,44.0,"Invalid WP multiplicities - A2B3C6_aP44_2_6i_12i_24i:B-C-N, expected B(CN2)2 to be B2(CN2)3" +mp-989467,B2(CN2)3,-6.0406692555,2.2378534327,2.7692643525,2.7692643525,GGA,C2,A2B3C6_mC22_5_c_ac_3c:B-C-N,11.0,"Invalid WP multiplicities - A2B3C6_mC22_5_c_ac_6c:B-C-N, expected B2(CN4)3 to be B2(CN2)3" +mp-1097791,B2(CN2)3,-8.5073655659,-0.2288428778,0.302568042,0.302568042,GGA,Pm,A2B3C6_mP22_6_2a2b_ab2c_2a2b4c:B-C-N,22.0,"Invalid WP multiplicities - A2B3C6_mP22_7_4a_4a_10a:B-C-N, expected B2C2N5 to be B2(CN2)3" +mp-989459,B2(CN2)3,-8.4005865291,-0.122063841,0.4093470789,0.4093470789,GGA,C2/m,A2B3C6_mC22_12_i_ai_3i:B-C-N,11.0,"Invalid WP multiplicities - A2B3C6_mC22_12_i_ai_5i:B-C-N, expected B2C3N10 to be B2(CN2)3" +mp-989473,B2(CN2)3,-5.6429630982,2.6355595899,3.1669705098,3.1669705098,GGA,C2/c,A2B3C6_mC44_15_f_ef_3f:B-C-N,22.0,"Invalid WP multiplicities - A2B3C6_mC44_15_f_ef_7f:B-C-N, expected B2C3N14 to be B2(CN2)3" +mp-989466,B2(CN2)3,-8.1419960957,0.1365265924,0.6679375123,0.6679375123,GGA,C2/c,A2B3C6_mC88_15_2f_3f_6f:B-C-N,44.0,"Invalid WP multiplicities - A2B3C6_mC88_15_5f_8f_22f:B-C-N, expected B5(C4N11)2 to be B2(CN2)3" +mp-1376593,B2(CN2)3,-8.506509167699999,-0.2279864796,0.3034244402,0.3034244402,GGA,Pmn2_1,A2B3C6_oP22_31_2a_ab_2a2b:B-C-N,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_a2f_2g3h:B-C-N, expected B2C5N16 to be B2(CN2)3" +mp-1096872,B2(CN2)3,-8.1699773586,0.1085453295,0.6399562493000001,0.6399562493000001,GGA,Pnnm,A2B3C6_oP22_58_g_af_gh:B-C-N,22.0,"Invalid WP multiplicities - A2B3C6_oP22_58_g_a2f_2g3h:B-C-N, expected B2C5N16 to be B2(CN2)3" +mp-989460,B2(CN2)3,-8.6236041536,-0.3450814655,0.1863294543,0.1863294543,GGA,R32,A2B3C6_hR33_155_c_d_f:B-C-N,11.0,A2B3C6_hR33_155_c_d_f:B-C-N +mp-2455462,B2(CN2)3,-8.6366183782,-0.3580956901,0.1733152298,0.1733152298,GGA,R32,A2B3C6_hR33_155_c_d_f:B-C-N,11.0,A2B3C6_hR33_155_c_d_f:B-C-N +mp-989461,B2(CN2)3,-8.6144293709,-0.3359066828,0.195504237,0.195504237,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-C-N,22.0,A2B3C6_hR66_167_c_e_f:B-C-N +mp-989472,B2(CN2)3,-8.6308463455,-0.3523236573,0.1790872625,0.1790872625,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-C-N,22.0,A2B3C6_hR66_167_c_e_f:B-C-N +mp-1080483,BC2N,-8.1943820438,0.1739223765,0.9046123912,0.9046123912,GGA,C2,AB2C_mC16_5_c_2c_c:B-C-N,8.0,"Invalid WP multiplicities - AB2C_mC16_5_c_3c_c:B-C-N, expected BC3N to be BC2N" +mp-1079201,BC2N,-8.2118497637,0.1564546565,0.8871446712000001,0.8871446712000001,GGA,Cm,AB2C_mC16_8_2a_2ab_b:B-C-N,8.0,AB2C_mC16_8_2a_2ab_b:B-C-N +mp-1078541,BC2N,-8.4597488212,-0.091444401,0.6392456137,0.6392456137,GGA,C2/m,AB2C_mC16_12_i_j_i:B-C-N,8.0,AB2C_mC16_12_i_j_i:B-C-N +mp-30148,BC2N,-8.5560117337,-0.1877073135,0.5429827012,0.5429827012,GGA,P222_1,AB2C_oP8_17_a_bc_d:B-C-N,8.0,AB2C_oP8_17_a_bc_d:B-C-N +mp-629458,BC2N,-8.5611104025,-0.1928059823,0.5378840325,0.5378840325,GGA,Pmm2,AB2C_oP4_25_a_bd_c:B-C-N,4.0,AB2C_oP4_25_a_bd_c:B-C-N +mp-1008523,BC2N,-8.1048888025,0.2634156177,0.9941056325,0.9941056325,GGA,P-4m2,AB2C_tP4_115_a_g_c:B-C-N,4.0,AB2C_tP4_115_a_g_c:B-C-N +mp-1246452,B3C3N7,-8.4443594625,-0.2843874421,0.3900956485,0.3900956485,GGA,P2_12_12_1,A3B3C7_oP104_19_6a_6a_14a:B-C-N,104.0,A3B3C7_oP104_19_6a_6a_14a:B-C-N +mp-1079333,B2CN,-8.2560714675,-0.5250854777,0.2369623151,0.2369623151,GGA,Pmma,A2BC_oP8_51_ef_e_f:B-C-N,8.0,A2BC_oP8_51_ef_e_f:B-C-N +mp-1008527,B2CN,-8.16962416,-0.4386381702,0.3234096226,0.3234096226,GGA,P-4m2,A2BC_tP4_115_g_a_c:B-C-N,4.0,A2BC_tP4_115_g_a_c:B-C-N +mp-1008526,B2CN,-8.1436291725,-0.4126431827,0.3494046101,0.3494046101,GGA,P3m1,A2BC_hP4_156_ab_a_b:B-C-N,4.0,A2BC_hP4_156_ab_a_b:B-C-N +mp-1008525,B2CN,-8.149906915,-0.4189209252,0.3431268676,0.3431268676,GGA,R3m,A2BC_hR12_160_2a_a_a:B-C-N,4.0,A2BC_hR12_160_2a_a_a:B-C-N +mp-642462,B3C10N3,-8.5435115553,0.039883133,0.5879006441,0.5879006441,GGA,Pmma,A3B10C3_oP32_51_2ef_e3f3k_ek:B-C-N,32.0,"Invalid WP multiplicities - A3B10C3_oP32_51_3e2f_2e6f10k_e2k:B-C-N, expected B5C28N5 to be B3C10N3" +mp-23069,Fe(IO3)3,-5.4074224423,-0.9912440838,0.0,-0.0394002755,GGA+U,P6_3,AB3C9_hP26_173_b_c_3c:Fe-I-O,26.0,"Invalid WP multiplicities - AB3C9_hP26_173_b_c_5c:Fe-I-O, expected Fe(IO5)3 to be Fe(IO3)3" +mp-561135,Fe3B7IO13,-7.9898452731,-2.2420900389,0.22100328,0.165383268,GGA+U,Pca2_1,A7B3CD13_oP96_29_7a_3a_a_13a:B-Fe-I-O,96.0,"Invalid WP multiplicities - A7B3CD13_oP96_29_23a_8a_a_51a:B-Fe-I-O, expected Fe8B23IO51 to be Fe3B7IO13" +mp-556885,Fe3B7IO13,-8.0727906142,-2.3250353799,0.138057939,0.082437927,GGA+U,R3c,A7B3CD13_hR144_161_a2b_b_a_a4b:B-Fe-I-O,48.0,"Invalid WP multiplicities - A7B3CD13_hR144_161_a7b_b_a_2a22b:B-Fe-I-O, expected Fe3B22IO68 to be Fe3B7IO13" +mp-1194881,Fe3B7IO13,-8.2108485531,-2.4630933189,0.0,-0.055620012,GGA+U,R3c,A7B3CD13_hR144_161_a2b_b_a_a4b:B-Fe-I-O,48.0,A7B3CD13_hR144_161_a2b_b_a_a4b:B-Fe-I-O +mp-554391,Fe3B7IO13,-8.1919569654,-2.4442017312,0.0188915877,-0.0367284243,GGA+U,F-43c,A7B3CD13_cF192_219_ce_d_a_bh:B-Fe-I-O,48.0,A7B3CD13_cF192_219_ce_d_a_bh:B-Fe-I-O +mp-1019604,Cs2B2S3O13,-6.8169831845,-2.2236886279,0.0,-0.0332374327,GGA,P2_1/c,A2B2C13D3_mP80_14_2e_2e_13e_3e:B-Cs-O-S,80.0,A2B2C13D3_mP80_14_2e_2e_13e_3e:B-Cs-O-S +mp-1019717,CsBS3O11,-6.6688519472,-2.0189944742,0.0,-0.0372859528,GGA,P2_1/c,ABC11D3_mP64_14_e_e_11e_3e:B-Cs-O-S,64.0,ABC11D3_mP64_14_e_e_11e_3e:B-Cs-O-S +mp-772676,Sr2WO5,-8.0354501625,-2.9016300759,0.0052502028,0.0052502028,GGA+U,Pnma,A5B2C_oP32_62_a2cd_2c_c:O-Sr-W,32.0,A5B2C_oP32_62_a2cd_2c_c:O-Sr-W +mp-1217767,SrWNO2,-8.453424854,-1.8779256478,0.335032373,0.335032373,GGA+U,P4/mmm,AB2CD_tP5_123_a_e_c_b:N-O-Sr-W,5.0,AB2CD_tP5_123_a_e_c_b:N-O-Sr-W +mp-768610,Sr7W4O19,-8.132083206,-2.8772145191,0.0,-0.0057435108,GGA+U,C2/m,A19B7C4_mC60_12_a3i3j_b3i_2i:O-Sr-W,30.0,"Invalid WP multiplicities - A19B7C4_mC60_12_a6i5j_b5i_3i:O-Sr-W, expected Sr11(W2O11)3 to be Sr7W4O19" +mp-19163,SrWO4,-8.4861275475,-2.7470644594,0.0,-0.0656784238,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-Sr-W,12.0,A4BC_tI24_88_f_a_b:O-Sr-W +mp-772582,Sr3W2O9,-8.1243372229,-2.7311272785,0.1089015093,0.1089015093,GGA+U,P2_1/m,A9B3C2_mP28_11_5e2f_a2e_2e:O-Sr-W,28.0,"Invalid WP multiplicities - A9B3C2_mP28_11_9e4f_a3e_3e:O-Sr-W, expected Sr4W3O17 to be Sr3W2O9" +mp-770653,Sr3W2O9,-8.1269471227,-2.7337371783,0.1062916095,0.1062916095,GGA+U,Pnma,A9B3C2_oP56_62_5c2d_a2c_2c:O-Sr-W,56.0,"Invalid WP multiplicities - A9B3C2_oP56_62_19c6d_2a6c_5c:O-Sr-W, expected Sr8W5O31 to be Sr3W2O9" +mp-756585,Sr3W2O9,-8.1615903325,-2.7683803881,0.0716483996,0.0716483996,GGA+U,R-3c,A9B3C2_hR84_167_ef_e_c:O-Sr-W,28.0,"Invalid WP multiplicities - A9B3C2_hR84_167_5e6f_e_c:O-Sr-W, expected Sr3W2O51 to be Sr3W2O9" +mp-1208617,SrWO2,-7.8309149106,-1.6956646342,0.8008999969,0.8008999969,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-Sr-W,16.0,A2BC_tI32_141_h_c_d:O-Sr-W +mp-1204662,Sr3WO6,-7.753068024,-2.9823937383,0.013483819,-0.045544279,GGA+U,P1,A6B3C_aP60_1_36a_18a_6a:O-Sr-W,60.0,A6B3C_aP60_1_36a_18a_6a:O-Sr-W +mp-1203086,Sr3WO6,-7.7531048868,-2.9824306011,0.0134469562,-0.0455811418,GGA+U,Cc,A6B3C_mC120_9_18a_9a_3a:O-Sr-W,60.0,A6B3C_mC120_9_18a_9a_3a:O-Sr-W +mp-755326,Sr3WO6,-7.762188768,-2.9915144822,0.004363075,-0.054665023,GGA+U,P2_1/c,A6B3C_mP20_14_3e_ae_d:O-Sr-W,20.0,"Invalid WP multiplicities - A6B3C_mP20_14_9e_2a2e_b:O-Sr-W, expected Sr6WO18 to be Sr3WO6" +mp-756382,Sr3WO6,-7.766551843,-2.9958775572,0.0,-0.059028098,GGA+U,R-3,A6B3C_hR60_148_2f_f_ab:O-Sr-W,20.0,"Invalid WP multiplicities - A6B3C_hR60_148_7f_f_ab:O-Sr-W, expected Sr3WO21 to be Sr3WO6" +mp-779884,Sr5W3O14,-8.1443022493,-2.8454158896,0.0199668059,0.0199668059,GGA+U,Cc,A14B5C3_mC88_9_14a_5a_3a:O-Sr-W,44.0,A14B5C3_mC88_9_14a_5a_3a:O-Sr-W +mp-1101400,Sr5W3O14,-8.1441203736,-2.8452340139,0.0201486816,0.0201486816,GGA+U,Pbca,A14B5C3_oP88_61_7c_a2c_bc:O-Sr-W,88.0,"Invalid WP multiplicities - A14B5C3_oP88_61_25c_2a6c_2b2c:O-Sr-W, expected Sr7W3O25 to be Sr5W3O14" +mp-699686,Sr51W12N56O3,-6.8314801195,-0.9024185555,0.096195257,0.096195257,GGA+U,P-1,A56B3C51D12_aP122_2_28i_ai_b25i_6i:N-O-Sr-W,122.0,"Invalid WP multiplicities - A56B3C51D12_aP122_2_56i_ai_b49i_11i:N-O-Sr-W, expected Sr99W22N112O3 to be Sr51W12N56O3" +mp-1186764,SrWO3,-8.354587706,-2.4570497426,0.1936437927,0.1936437927,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Sr-W,5.0,A3BC_cP5_221_c_a_b:O-Sr-W +mp-1196001,NdV2IO9,-7.6023602975,-2.3000891957,0.0,-0.003658066,GGA+U,Pbcm,ABC9D2_oP52_57_d_d_c4d2e_cd:I-Nd-O-V,52.0,ABC9D2_oP52_57_d_d_c4d2e_cd:I-Nd-O-V +mp-1202503,SiP4N2O13,-7.3276119325,-1.9246883749,0.3718571489,0.3718571489,GGA,P-1,A2B13C4D_aP40_2_2i_13i_4i_i:N-O-P-Si,40.0,A2B13C4D_aP40_2_2i_13i_4i_i:N-O-P-Si +mp-733484,SiP4N2O13,-7.041128067,-1.6382045094,0.6583410144,0.6583410144,GGA,P-1,A2B13C4D_aP40_2_2i_13i_4i_i:N-O-P-Si,40.0,A2B13C4D_aP40_2_2i_13i_4i_i:N-O-P-Si +mp-1219220,SiPN3,-8.039083438,-0.8694623757000001,0.0161487693,0.0161487693,GGA,P2_1,A3BC_mP10_4_3a_a_a:N-P-Si,10.0,"Invalid WP multiplicities - A3BC_mP10_4_5a_a_a:N-P-Si, expected SiPN5 to be SiPN3" +mp-36053,SiPN3,-8.031904856,-0.8622837937000001,0.0233273513,0.0233273513,GGA,Cc,A3BC_mC40_9_6a_2a_2a:N-P-Si,20.0,A3BC_mC40_9_12a_4a_4a:N-P-Si +mp-978990,Tl2(IO3)3,-4.7842430071,-0.9509870254,0.0,-0.025507915,GGA,P-1,A3B9C2_aP28_2_3i_9i_aei:I-O-Tl,28.0,A3B9C2_aP28_2_3i_9i_aei:I-O-Tl +mp-30032,TlIO4,-4.7704742583,-0.8333468681,0.0952009142,0.0952009142,GGA,I4_1/a,AB4C_tI24_88_a_f_b:I-O-Tl,12.0,AB4C_tI24_88_a_f_b:I-O-Tl +mp-1198439,TlV2I3O13,-6.0968782871,-1.3991147301,0.0,-0.0046586434,GGA+U,Ima2,A3B13CD2_oI76_46_bc_a2b5c_b_c:I-O-Tl-V,38.0,A3B13CD2_oI76_46_bc_a2b5c_b_c:I-O-Tl-V +mp-22981,TlIO3,-4.716762884,-0.9815477579,0.0,-0.0117459713,GGA,R3m,AB3C_hR15_160_a_b_a:I-O-Tl,5.0,AB3C_hR15_160_a_b_a:I-O-Tl +mp-546200,TlIO3,-4.47276803,-0.7375529039000001,0.243994854,0.2322488827,GGA,Pm-3m,AB3C_cP5_221_b_c_a:I-O-Tl,5.0,AB3C_cP5_221_b_c_a:I-O-Tl +mp-972106,Tl(IO3)3,-1.2786409046,2.6677391414,3.5285236585,3.5035978616,GGA,P-1,A3B9C_aP26_2_3i_9i_i:I-O-Tl,26.0,"Invalid WP multiplicities - A3B9C_aP26_2_6i_18i_i:I-O-Tl, expected Tl(IO3)6 to be Tl(IO3)3" +mp-972032,Tl(IO3)3,-4.8071645631,-0.8607845171,0.0,-0.0249257968,GGA,R-3,A3B9C_hR78_148_f_3f_c:I-O-Tl,26.0,A3B9C_hR78_148_f_3f_c:I-O-Tl +mp-1041213,P4W3O14,-8.3772545086,-2.1971953336,0.2081810824,0.2081810824,GGA+U,P2_1/c,A14B4C3_mP42_14_7e_2e_ae:O-P-W,42.0,"Invalid WP multiplicities - A14B4C3_mP42_14_27e_3e_2a2e:O-P-W, expected PWO9 to be P4W3O14" +mp-29182,P2W7O25,-8.9212581599,-2.297707148,0.0057021625,0.0057021625,GGA+U,P2_1/c,A25B2C7_mP68_14_a12e_e_d3e:O-P-W,68.0,"Invalid WP multiplicities - A25B2C7_mP68_14_a13e_e_b3e:O-P-W, expected P2W7O27 to be P2W7O25" +mp-757191,P4WO12,-8.000735335,-2.4729938767,0.0172904429,0.0172904429,GGA+U,P2_1,A12B4C_mP34_4_12a_4a_a:O-P-W,34.0,"Invalid WP multiplicities - A12B4C_mP34_4_23a_7a_a:O-P-W, expected P7WO23 to be P4WO12" +mp-766395,P4WO12,-7.9895641306,-2.4618226723,0.0284616474,0.0284616474,GGA+U,C2/m,A12B4C_mC68_12_gi5j_2j_e:O-P-W,34.0,"Invalid WP multiplicities - A12B4C_mC68_12_g2i9j_3j_f:O-P-W, expected P6WO21 to be P4WO12" +mp-766081,P4WO12,-7.9933906447,-2.4656491864,0.0246351332,0.0246351332,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-W,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_17f_5f_e:O-P-W, expected P10WO34 to be P4WO12" +mp-766151,P4WO12,-7.99224764,-2.4645061817,0.0257781379,0.0257781379,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_c:O-P-W,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_4f_c:O-P-W, expected P8WO38 to be P4WO12" +mp-767776,P4WO12,-8.0026933656,-2.4749519073,0.0153324124,0.0153324124,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-W,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_23f_5f_e:O-P-W, expected P10WO46 to be P4WO12" +mp-849758,P4WO12,-8.008275146,-2.4805336877,0.0097506319,0.0097506319,GGA+U,Pbcn,A12B4C_oP68_60_6d_2d_c:O-P-W,68.0,"Invalid WP multiplicities - A12B4C_oP68_60_21d_5d_c:O-P-W, expected P10WO42 to be P4WO12" +mp-767771,P3W2O13,-8.3397181731,-2.4251003272,0.0097481828,0.0097481828,GGA+U,P-1,A13B3C2_aP36_2_13i_3i_2i:O-P-W,36.0,"Invalid WP multiplicities - A13B3C2_aP36_2_25i_5i_3i:O-P-W, expected P5W3O25 to be P3W2O13" +mp-757302,P3W2O13,-8.3474922167,-2.4328743708,0.0019741392,0.0019741392,GGA+U,P2_1/c,A13B3C2_mP72_14_13e_3e_2e:O-P-W,72.0,"Invalid WP multiplicities - A13B3C2_mP72_14_51e_9e_3e:O-P-W, expected P3WO17 to be P3W2O13" +mp-767436,P3W2O13,-8.3390483208,-2.4244304749,0.010418035,0.010418035,GGA+U,P2_1/c,A13B3C2_mP72_14_13e_3e_2e:O-P-W,72.0,"Invalid WP multiplicities - A13B3C2_mP72_14_49e_7e_5e:O-P-W, expected P7W5O49 to be P3W2O13" +mp-1326425,P2WO7,-8.1849534075,-2.3437977853,0.1818474515,0.1380931155,GGA+U,P-1,A7B2C_aP20_2_7i_2i_i:O-P-W,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_2i_i:O-P-W, expected P2WO13 to be P2WO7" +mp-755995,P2WO7,-8.366800859,-2.5256452368,0.0,-0.043754336,GGA+U,P2_1,A7B2C_mP20_4_7a_2a_a:O-P-W,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_13a_3a_a:O-P-W, expected P3WO13 to be P2WO7" +mp-1048407,P2WO7,-8.1686598697,-2.3275042475,0.1981409892,0.1543866533,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-W,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_28e_5e_e:O-P-W, expected P5WO28 to be P2WO7" +mp-505687,P2WO7,-8.3496654582,-2.508509836,0.0171354007,-0.0266189352,GGA+U,Pa-3,A7B2C_cP40_205_ad_c_b:O-P-W,40.0,A7B2C_cP40_205_ad_c_b:O-P-W +mp-756760,P5WO15,-7.8190652919,-2.3797808428,0.0737478341,0.0737478341,GGA+U,P2_1/m,A15B5C_mP42_11_3e6f_e2f_a:O-P-W,42.0,"Invalid WP multiplicities - A15B5C_mP42_11_5e16f_2e3f_a:O-P-W, expected P8WO37 to be P5WO15" +mp-628817,P2W9O31,-8.960377222,-2.2747313379,0.0074218804,0.0074218804,GGA+U,P-1,A31B2C9_aP84_2_ah30i_2i_be8i:O-P-W,84.0,"Invalid WP multiplicities - A31B2C9_aP84_2_ah59i_3i_be16i:O-P-W, expected P3W17O60 to be P2W9O31" +mp-1180022,P2W9O31,-8.9579415471,-2.272295663,0.0098575553,0.0098575553,GGA+U,P2_1/c,A31B2C9_mP84_14_a15e_e_d4e:O-P-W,84.0,"Invalid WP multiplicities - A31B2C9_mP84_14_2a55e_e_2b12e:O-P-W, expected PW13O56 to be P2W9O31" +mp-1209820,PWO2,-7.3622685688,-0.296066029,1.5870382185,1.5870382185,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-P-W,16.0,A2BC_tI32_141_h_c_d:O-P-W +mp-1040961,P2W2O9,-8.6305891575,-2.3795842441,0.0429193994,0.0429193994,GGA+U,Pnma,A9B2C2_oP52_62_5c2d_2c_ac:O-P-W,52.0,"Invalid WP multiplicities - A9B2C2_oP52_62_7c2d_2c_ac:O-P-W, expected P2W2O11 to be P2W2O9" +mp-687234,P2WO8,-8.1712939386,-2.4114534902,0.0,-0.0090075403,GGA+U,C2/m,A8B2C_mC44_12_4i2j_2i_i:O-P-W,22.0,"Invalid WP multiplicities - A8B2C_mC44_12_7i6j_4i_i:O-P-W, expected P4WO19 to be P2WO8" +mp-754254,P2WO8,-8.09962644,-2.3397859915,0.0716674986,0.0626599583,GGA+U,P2_1/c,A8B2C_mP22_14_4e_e_a:O-P-W,22.0,"Invalid WP multiplicities - A8B2C_mP22_14_13e_e_a:O-P-W, expected P2WO26 to be P2WO8" +mp-766234,P2WO8,-8.1641940948,-2.4043536463,0.0070998439,-0.0019076965,GGA+U,P2_1/c,A8B2C_mP44_14_8e_2e_e:O-P-W,44.0,"Invalid WP multiplicities - A8B2C_mP44_14_29e_5e_e:O-P-W, expected P5WO29 to be P2WO8" +mp-766228,P2WO8,-8.1662140773,-2.4063736288,0.0050798614,-0.003927679,GGA+U,P2_12_12_1,A8B2C_oP44_19_8a_2a_a:O-P-W,44.0,"Invalid WP multiplicities - A8B2C_oP44_19_29a_5a_a:O-P-W, expected P5WO29 to be P2WO8" +mp-624769,P2WO8,-8.1701401791,-2.4102997306,0.0011537595,-0.0078537808,GGA+U,Pnma,A8B2C_oP44_62_4c2d_2c_c:O-P-W,44.0,"Invalid WP multiplicities - A8B2C_oP44_62_16c12d_7c_c:O-P-W, expected P7WO40 to be P2WO8" +mp-774417,Sn3P6WO24,-7.6670542591,-2.4850780854,0.0032528396,0.0032528396,GGA+U,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-Sn-W,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-Sn-W, expected Sn3P6WO60 to be Sn3P6WO24" +mp-29318,PW3O11,-8.8876380668,-2.3075534655,0.0107351095,0.0107351095,GGA+U,P2_12_12_1,A11BC3_oP60_19_11a_a_3a:O-P-W,60.0,"Invalid WP multiplicities - A11BC3_oP60_19_14a_a_4a:O-P-W, expected P(W2O7)2 to be PW3O11" +mp-771945,SnP6(WO8)3,-8.1882358885,-2.4798739281,0.0252109832,0.0252109832,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Sn-W,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-Sn-W, expected SnP6(WO20)3 to be SnP6(WO8)3" +mp-766541,P5(WO6)4,-8.3945631918,-2.4060916002,0.0061115213,0.0061115213,GGA+U,Cc,A24B5C4_mC132_9_24a_5a_4a:O-P-W,66.0,"Invalid WP multiplicities - A24B5C4_mC132_9_47a_7a_7a:O-P-W, expected P7W7O47 to be P5(WO6)4" +mp-752714,P4WO13,-7.8651389519,-2.3696782018,0.0527867681,0.0527867681,GGA+U,P1,A13B4C_aP36_1_26a_8a_2a:O-P-W,36.0,A13B4C_aP36_1_26a_8a_2a:O-P-W +mp-766131,P4WO13,-7.8699048693,-2.3744441191,0.0480208507,0.0480208507,GGA+U,P2_12_12_1,A13B4C_oP72_19_13a_4a_a:O-P-W,72.0,"Invalid WP multiplicities - A13B4C_oP72_19_49a_13a_a:O-P-W, expected P13WO49 to be P4WO13" +mp-27738,P2W3O13,-8.7046452089,-2.3708702672,0.0317341398,0.0317341398,GGA+U,Pnma,A13B2C3_oP72_62_5c4d_2c_3c:O-P-W,72.0,"Invalid WP multiplicities - A13B2C3_oP72_62_5c5d_2c_3c:O-P-W, expected P2(WO5)3 to be P2W3O13" +mp-1047802,PWO4,-8.4725527133,-2.1128547831,0.2568348239,0.2568348239,GGA+U,C2/c,A4BC_mC96_15_8f_2f_cef:O-P-W,48.0,"Invalid WP multiplicities - A4BC_mC96_15_30f_6f_2ce2f:O-P-W, expected P12W7O60 to be PWO4" +mp-25431,PWO4,-8.6257116988,-2.2660137685,0.1036758385,0.1036758385,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:O-P-W,24.0,"Invalid WP multiplicities - A4BC_oP24_62_4c2d_c_c:O-P-W, expected PWO8 to be PWO4" +mp-652282,P(W3O10)2,-9.0007352122,-2.256444171,0.0056338492,0.0056338492,GGA+U,P2_12_12_1,A20BC6_oP108_19_20a_a_6a:O-P-W,108.0,"Invalid WP multiplicities - A20BC6_oP108_19_80a_a_22a:O-P-W, expected P(W11O40)2 to be P(W3O10)2" +mp-1203346,PW5O17,-8.9760065712,-2.2674125822,0.0068851239,0.0068851239,GGA+U,P2_1,A17BC5_mP92_4_34a_2a_10a:O-P-W,92.0,A17BC5_mP92_4_34a_2a_10a:O-P-W +mp-29926,PW5O17,-8.9780723528,-2.2694783638,0.0048193423,0.0048193423,GGA+U,P2_12_12_1,A17BC5_oP92_19_17a_a_5a:O-P-W,92.0,A17BC5_oP92_19_17a_a_5a:O-P-W +mp-818671,PW12O43,-8.4610062021,-1.7892476333,0.2523160684,0.2523160684,GGA+U,Pn-3m,A43BC12_cP112_224_de3k_a_k:O-P-W,112.0,A43BC12_cP112_224_de3k_a_k:O-P-W +mp-28000,P(WO4)2,-8.8059803325,-2.3602464546,0.0040325742,0.0040325742,GGA+U,P2_12_12_1,A8BC2_oP44_19_8a_a_2a:O-P-W,44.0,A8BC2_oP44_19_8a_a_2a:O-P-W +mp-780572,P3(WO6)2,-8.4806379671,-2.5090831132,0.0,-0.0093029734,GGA+U,R-3,A12B3C2_hR102_148_4f_f_2c:O-P-W,34.0,"Invalid WP multiplicities - A12B3C2_hR102_148_17f_f_3c:O-P-W, expected PWO17 to be P3(WO6)2" +mp-1180043,P2W2O11,-8.4551215713,-2.3780254849,0.0070031705,-0.0251423049,GGA+U,P2_1,A11B2C2_mP60_4_22a_4a_4a:O-P-W,60.0,"Invalid WP multiplicities - A11B2C2_mP60_4_44a_8a_7a:O-P-W, expected P8W7O44 to be P2W2O11" +mp-558581,P2W2O11,-8.4554670755,-2.378370989,0.0066576663,-0.0254878091,GGA+U,P2_1/m,A11B2C2_mP60_11_a7e7f_2ef_2ef:O-P-W,60.0,"Invalid WP multiplicities - A11B2C2_mP60_11_2a14e27f_4e2f_3e2f:O-P-W, expected P8(WO10)7 to be P2W2O11" +mp-556620,P2W2O11,-8.449603613,-2.3725075265,0.0125211288,-0.0196243466,GGA+U,Pnnm,A11B2C2_oP30_58_a3gh_g_g:O-P-W,30.0,"Invalid WP multiplicities - A11B2C2_oP30_58_2a10g5h_g_g:O-P-W, expected PWO21 to be P2W2O11" +mp-19522,P2W2O11,-8.4621247418,-2.3850286554,0.0,-0.0321454754,GGA+U,Pnma,A11B2C2_oP60_62_7c2d_2c_2c:O-P-W,60.0,"Invalid WP multiplicities - A11B2C2_oP60_62_8c4d_2c_2c:O-P-W, expected PWO8 to be P2W2O11" +mp-28031,P2W5O19,-8.8542270965,-2.3309831859,0.0067628888,0.0067628888,GGA+U,P2_1,A19B2C5_mP52_4_19a_2a_5a:O-P-W,52.0,A19B2C5_mP52_4_19a_2a_5a:O-P-W +mp-556914,P2W5O19,-8.8459058473,-2.3226619367,0.015084138,0.015084138,GGA+U,P2_1/c,A19B2C5_mP52_14_a9e_e_d2e:O-P-W,52.0,"Invalid WP multiplicities - A19B2C5_mP52_14_a33e_e_2b4e:O-P-W, expected P2W10O67 to be P2W5O19" +mp-557415,P(W2O7)2,-8.9426802512,-2.284813652,0.0068488707,0.0068488707,GGA+U,P2_12_12_1,A14BC4_oP76_19_14a_a_4a:O-P-W,76.0,"Invalid WP multiplicities - A14BC4_oP76_19_50a_a_11a:O-P-W, expected PW11O50 to be P(W2O7)2" +mp-766045,PWO5,-8.6068988743,-2.4490594039,0.0137705975,0.0015521649,GGA+U,P-1,A5BC_aP14_2_5i_i_ab:O-P-W,14.0,"Invalid WP multiplicities - A5BC_aP14_2_8i_i_ab:O-P-W, expected PWO8 to be PWO5" +mp-29366,PWO5,-8.6206694718,-2.4628300014,0.0,-0.0122184326,GGA+U,Pna2_1,A5BC_oP28_33_5a_a_a:O-P-W,28.0,A5BC_oP28_33_5a_a_a:O-P-W +mp-554866,PWO5,-8.5515128323,-2.3936733619,0.0691566395,0.0569382069,GGA+U,Pnma,A5BC_oP56_62_2c4d_d_d:O-P-W,56.0,"Invalid WP multiplicities - A5BC_oP56_62_6c28d_d_d:O-P-W, expected PWO31 to be PWO5" +mp-1192588,PWO5,-8.5680840521,-2.4102445817,0.0525854196,0.0403669871,GGA+U,Pnma,A5BC_oP28_62_a2cd_c_c:O-P-W,28.0,A5BC_oP28_62_a2cd_c_c:O-P-W +mp-1044162,PWO5,-8.5467864404,-2.3889469699,0.0738830314,0.0616645988,GGA+U,Fddd,A5BC_oF112_70_e2h_e_c:O-P-W,28.0,"Invalid WP multiplicities - A5BC_oF112_70_2e8h_e_c:O-P-W, expected PWO18 to be PWO5" +mp-728875,P(W3O10)4,-8.7975107899,-2.0281067575,0.1290171538,0.1290171538,GGA+U,Pn-3m,A40BC12_cP106_224_e3k_a_k:O-P-W,106.0,A40BC12_cP106_224_e3k_a_k:O-P-W +mp-776468,P8W3O29,-7.9957966619,-2.3549270776,0.0614815784,0.0614815784,GGA+U,P-3c1,A29B8C3_hP80_165_df4g_dg_f:O-P-W,80.0,"Invalid WP multiplicities - A29B8C3_hP80_165_2d6f45g_2d3g_f:O-P-W, expected P22W3O292 to be P8W3O29" +mp-1207729,YVO2,-8.8758863719,-2.5149477204,0.5044892843000001,0.5044892843000001,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-V-Y,16.0,A2BC_tI32_141_h_c_d:O-V-Y +mp-754039,Y2V2O7,-9.1225743918,-3.1473402695,0.0824107514,0.0824107514,GGA+U,C2/m,A7B2C2_mC22_12_aij_i_h:O-V-Y,11.0,"Invalid WP multiplicities - A7B2C2_mC22_12_ai2j_i_h:O-V-Y, expected Y2V2O11 to be Y2V2O7" +mp-642779,Y2V2O7,-8.5351775273,-2.5599434050000003,0.6698076159,0.6698076159,GGA+U,Fd-3m,A7B2C2_cF88_227_af_c_d:O-V-Y,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-V-Y, expected YVO10 to be Y2V2O7" +mp-642787,Y2V2O7,-9.1930119218,-3.2177777995,0.0119732214,0.0119732214,GGA+U,Fd-3m,A7B2C2_cF88_227_af_d_c:O-V-Y,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-V-Y, expected YVO10 to be Y2V2O7" +mp-1102526,YVO4,-9.0449105533,-3.1553885486,0.0366838583,-0.1647275939,GGA+U,I4_1/a,A4BC_tI24_88_f_a_b:O-V-Y,12.0,A4BC_tI24_88_f_a_b:O-V-Y +mp-19133,YVO4,-9.0815944117,-3.1920724069,0.0,-0.2014114522,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-V-Y,12.0,A4BC_tI24_141_h_a_b:O-V-Y +mp-1217872,Y2V10O53,-6.6601109828,-1.0301647578,0.5455725597000001,0.5455725597000001,GGA+U,P1,A53B10C2_aP65_1_53a_10a_2a:O-V-Y,65.0,A53B10C2_aP65_1_53a_10a_2a:O-V-Y +mp-1237649,Y2V10O53,-6.7102124945,-1.0802662695,0.495471048,0.495471048,GGA+U,P1,A53B10C2_aP65_1_53a_10a_2a:O-V-Y,65.0,A53B10C2_aP65_1_53a_10a_2a:O-V-Y +mp-1044996,YV3O6,-9.1327426943,-2.7929105352,0.1122276784,0.1122276784,GGA+U,P-3m1,A6B3C_hP40_164_c2d3i_adfi_cd:O-V-Y,40.0,"Invalid WP multiplicities - A6B3C_hP40_164_2c4d18i_ad3f3i_2c2d:O-V-Y, expected Y4V15O60 to be YV3O6" +mp-18883,YVO3,-9.353054021,-3.2749653576,0.0,-0.021468096,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-V-Y,20.0,A3BC_oP20_62_cd_a_c:O-V-Y +mp-1504764,YVO3,-8.999762156,-2.9216734926,0.353291865,0.331823769,GGA+U,P4/mmm,A3BC_tP5_123_ae_b_c:O-V-Y,5.0,A3BC_tP5_123_ae_b_c:O-V-Y +mp-1375509,YVO3,-9.2723325143,-3.1942438509,0.0807215067,0.0592534107,GGA+U,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-V-Y,30.0,A3BC_hP30_185_ab2c_c_ab:O-V-Y +mp-1402500,YVO3,-9.199071232,-3.1209825686,0.153982789,0.132514693,GGA+U,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-V-Y,10.0,A3BC_hP10_194_bf_c_a:O-V-Y +mp-1331382,Y2V3O9,-9.0454150534,-2.9950679935,0.0945279158,0.0945279158,GGA+U,P2_12_12_1,A9B3C2_oP56_19_9a_3a_2a:O-V-Y,56.0,"Invalid WP multiplicities - A9B3C2_oP56_19_32a_11a_6a:O-V-Y, expected Y6V11O32 to be Y2V3O9" +mp-1208032,YV2O2,-7.9409991465,-1.0354670113,1.3800825924,1.3800825924,GGA+U,I4_1/amd,A2B2C_tI40_141_h_h_c:O-V-Y,20.0,A2B2C_tI40_141_h_h_c:O-V-Y +mp-1045499,YV2O4,-9.1470836386,-2.8012210531,0.1416854093,0.1416854093,GGA+U,Imma,A4B2C_oI28_74_hi_ae_c:O-V-Y,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_3h3i_ae_c:O-V-Y, expected YV2O12 to be YV2O4" +mp-1389822,YV2O4,-9.0537224129,-2.7078598274,0.2350466351,0.2350466351,GGA+U,I4_1/a,A4B2C_tI28_88_f_c_b:O-V-Y,14.0,A4B2C_tI28_88_f_c_b:O-V-Y +mp-1411320,YV2O4,-9.1773287414,-2.8314661560000003,0.1114403065,0.1114403065,GGA+U,R-3m,A4B2C_hR42_166_ch_ad_c:O-V-Y,14.0,"Invalid WP multiplicities - A4B2C_hR42_166_2c2h_a2d_c:O-V-Y, expected Y2V7O16 to be YV2O4" +mp-1350084,YV3O9,-8.5978167398,-2.5794792225,0.1268245183,0.1268245183,GGA+U,Pc,A9B3C_mP52_7_18a_6a_2a:O-V-Y,52.0,"Invalid WP multiplicities - A9B3C_mP52_7_34a_12a_3a:O-V-Y, expected Y3V12O34 to be YV3O9" +mp-1201610,Y2VO5,-9.2442170228,-3.4004305412,0.0611743649,0.0611743649,GGA+U,C2/c,A5BC2_mC64_15_5f_f_2f:O-V-Y,32.0,A5BC2_mC64_15_5f_f_2f:O-V-Y +mp-1328478,Y4V6O21,-8.4698116326,-2.5262702194,0.4620927469,0.4620927469,GGA+U,C2/m,A21B6C4_mC124_12_9i6j_ade2ij_bcfj:O-V-Y,62.0,"Invalid WP multiplicities - A21B6C4_mC124_12_18i24j_ac2e2i2j_bd2f2j:O-V-Y, expected Y7V9O66 to be Y4V6O21" +mp-1324086,Y4V6O21,-8.7330112518,-2.7894698386,0.1988931277,0.1988931277,GGA+U,C2/m,A21B6C4_mC124_12_9i6j_ade2ij_bcfj:O-V-Y,62.0,"Invalid WP multiplicities - A21B6C4_mC124_12_18i24j_ac2e3i2j_bd2f3j:O-V-Y, expected Y9V10O66 to be Y4V6O21" +mp-1207873,VAg(SO4)2,-6.8258005008,-1.8455612094,0.0017141505,0.0017141505,GGA+U,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Ag-O-S-V,12.0,AB8C2D_mC24_12_a_2ij_i_d:Ag-O-S-V +mp-1201897,VAgP2O7,-7.6189903664,-2.4035459968,0.0,-0.0143197602,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ag-O-P-V,44.0,AB7C2D_mP44_14_e_7e_2e_e:Ag-O-P-V +mp-19478,VAg2(PO4)2,-7.1390883383,-2.127616586,0.0,-0.0022697249,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Ag-O-P-V,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Ag-O-P-V +mp-1216770,V2AgP3O11,-7.8932824297,-2.5018794011,0.0069696703,0.0069696703,GGA+U,C2,AB11C3D2_mC68_5_c_ab10c_ab2c_2c:Ag-O-P-V,34.0,AB11C3D2_mC68_5_c_ab10c_ab2c_2c:Ag-O-P-V +mp-1201392,V2Ag(PO5)2,-7.7584558417,-2.3388651571,0.0010043155,0.0010043155,GGA+U,P2_1/c,AB10C2D2_mP60_14_e_10e_2e_2e:Ag-O-P-V,60.0,AB10C2D2_mP60_14_e_10e_2e_2e:Ag-O-P-V +mp-558255,VAg2PO6,-6.86352174,-1.8792764549,0.0,-0.00175223,GGA+U,C2/m,A2B6CD_mC40_12_j_4ij_i_i:Ag-O-P-V,20.0,"Invalid WP multiplicities - A2B6CD_mC40_12_j_8i4j_i_i:Ag-O-P-V, expected VAg2PO16 to be VAg2PO6" +mp-1223991,Ho2VPO8,-8.6235599392,-3.3539319386,0.0072009979,0.0072009979,GGA+U,I-4m2,A2B8CD_tI24_119_ac_2i_b_d:Ho-O-P-V,12.0,"Invalid WP multiplicities - A2B8CD_tI24_119_ac_6i_b_d:Ho-O-P-V, expected Ho2VPO24 to be Ho2VPO8" +mp-24355,KBe(H2N)3,-5.1657675196,-0.600708169,0.0,-0.0137179553,GGA,Pbca,AB6CD3_oP176_61_2c_12c_2c_6c:Be-H-K-N,176.0,"Invalid WP multiplicities - AB6CD3_oP176_61_3c_15c_2c_11c:Be-H-K-N, expected K2Be3H15N11 to be KBe(H2N)3" +mp-28018,Be(H2N)2,-5.5284582282,-0.6737001004000001,0.0,-0.0616413969,GGA,I4_1/acd,AB4C2_tI224_142_g_4g_deg:Be-H-N,112.0,"Invalid WP multiplicities - AB4C2_tI224_142_g_7g_deg:Be-H-N, expected BeH7N2 to be Be(H2N)2" +mp-974757,KBeH3,-3.208797448,-0.2031994586,0.0078775807,0.0078775807,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Be-H-K,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Be-H-K, expected KBeH9 to be KBeH3" +mp-1110953,K3YI6,-3.503616567,-1.6398299616,0.08749096,0.08749096,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:I-K-Y,10.0,A6B3C_cF40_225_e_ac_b:I-K-Y +mp-1112022,K2YHgI6,-3.119142364,-1.3360276168,0.144510877,0.144510877,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Y +mp-1202633,YbH4I3O11,-5.1455194434,-1.2537201101,0.0147291029,0.0147291029,GGA,P-1,A4B3C11D_aP38_2_4i_3i_11i_i:H-I-O-Yb,,A4B3C11D_aP38_2_4i_3i_11i_i:H-I-O-Yb +mp-1112192,K2YHgF6,-5.120482643,-3.0745003253,0.2133045117,0.2133045117,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Y +mp-1208662,SrUI6,-4.2320537744,-1.504416079,0.0,-0.0118600159,GGA,C2/c,A6BC_mC32_15_3f_e_e:I-Sr-U,16.0,"Invalid WP multiplicities - A6BC_mC32_15_5f_e_e:I-Sr-U, expected SrUI10 to be SrUI6" +mp-1197845,SrU2I2O13,-7.333213495,-2.2484357495,0.1335423388,0.1335423388,GGA,P2_1/c,A2B13CD2_mP72_14_2e_13e_e_2e:I-O-Sr-U,72.0,A2B13CD2_mP72_14_2e_13e_e_2e:I-O-Sr-U +mp-651682,Cu3B7IO13,-7.4526060873,-2.2512026705,0.0205596784,0.0205596784,GGA,F-43c,A7B3CD13_cF192_219_ce_d_a_bh:B-Cu-I-O,48.0,"Invalid WP multiplicities - A7B3CD13_cF192_219_3c4e_d_a_2b3h:B-Cu-I-O, expected Cu3B25IO38 to be Cu3B7IO13" +mp-977417,NdB2HF10,-6.2419051279,-3.3394446497,0.0,-0.0329994777,GGA,P2_1/m,A2B10CD_mP28_11_2e_a5e2f_e_e:B-F-H-Nd,28.0,"Invalid WP multiplicities - A2B10CD_mP28_11_3e_a10e4f_e_e:B-F-H-Nd, expected NdB3HF19 to be NdB2HF10" +mp-29370,Na3BP2,-3.9115204567,-0.3325916792,0.0244345775,0.0244345775,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:B-Na-P,24.0,"Invalid WP multiplicities - AB3C2_mP24_14_e_6e_2e:B-Na-P, expected Na6BP2 to be Na3BP2" +mp-567836,K2NaBP2,-3.9000556325,-0.3918356372,0.0,-0.0090854139,GGA,C2/m,AB2CD2_mC24_12_ac_2i_i_2i:B-K-Na-P,12.0,"Invalid WP multiplicities - AB2CD2_mC24_12_ac_4i_i_4i:B-K-Na-P, expected K4NaBP4 to be K2NaBP2" +mp-9664,K3BP2,-3.8684778108,-0.3956122066,0.0,-0.0727503005,GGA,C2/c,AB3C2_mC24_15_e_ef_f:B-K-P,12.0,AB3C2_mC24_15_e_ef_f:B-K-P +mp-1047565,YBi3F15,-5.1853732958,-2.7295773476000003,0.0965610096,0.0965610096,GGA,P2_1/m,A3B15C_mP38_11_af_3e6f_e:Bi-F-Y,38.0,"Invalid WP multiplicities - A3B15C_mP38_11_2a2f_6e24f_e:Bi-F-Y, expected YBi6F54 to be YBi3F15" +mp-1215909,YBi(OF)2,-7.15780168,-3.1539190799,0.077285665,0.077285665,GGA,P-4m2,AB2C2D_tP6_115_a_g_g_c:Bi-F-O-Y,6.0,AB2C2D_tP6_115_a_g_g_c:Bi-F-O-Y +mp-1204611,Th2BPO8,-9.1136375263,-3.5724774873,0.0395883351,0.0395883351,GGA,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:B-O-P-Th,48.0,AB8CD2_mP48_14_e_8e_e_2e:B-O-P-Th +mp-3589,BPO4,-8.0787340983,-2.7654925779,0.0,-0.1761192865,GGA,I-4,AB4C_tI12_82_a_g_c:B-O-P,6.0,AB4C_tI12_82_a_g_c:B-O-P +mp-11653,BPO4,-8.0397227106,-2.7264811901,0.0390113878,-0.1371078987,GGA,P3_121,AB4C_hP18_152_a_2c_b:B-O-P,18.0,"Invalid WP multiplicities - AB4C_hP18_152_a_4c_b:B-O-P, expected BPO8 to be BPO4" +mp-13349,KUCuS3,-6.2801601242,-1.4617659196,0.0,-0.1035507753,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Cu-K-S-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Cu-K-S-U, expected KUCuS5 to be KUCuS3" +mp-557249,K2UCu3S5,-5.4111240455,-1.1845715683,0.0039212229,0.0039212229,GGA,Cmcm,A3B2C5D_oC44_63_cf_f_c2f_a:Cu-K-S-U,22.0,"Invalid WP multiplicities - A3B2C5D_oC44_63_2c2f_f_c6f_a:Cu-K-S-U, expected K2UCu6S13 to be K2UCu3S5" +mp-559811,K6U2(Cu4S5)3,-5.0620295465,-1.0482454966,0.0,-0.0591641936,GGA,Ia-3d,A12B6C15D2_cI280_230_h_g_ch_a:Cu-K-S-U,140.0,"Invalid WP multiplicities - A12B6C15D2_cI280_230_h_g_11c12h_a:Cu-K-S-U, expected K6U2(Cu4S59)3 to be K6U2(Cu4S5)3" +mp-1207379,Y3TlS6,-3.76211459,0.8959609788,2.8169444241,2.8169444241,GGA,Cmmm,A6BC3_oC20_65_kp_a_de:S-Tl-Y,10.0,A6BC3_oC20_65_kp_a_de:S-Tl-Y +mp-12894,Y2SO2,-8.943769052,-3.5512151488,0.0,-0.0891680514,GGA,P-3m1,A2BC2_hP5_164_d_a_d:O-S-Y,5.0,A2BC2_hP5_164_d_a_d:O-S-Y +mp-1066131,YTlS2,-6.016320595,-1.7408170966,0.0,-0.0640475441,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Tl-Y,4.0,A2BC_hR12_166_c_a_b:S-Tl-Y +mp-1207899,YTlS2O9,-6.7828135971,-2.0426434129,0.18040181,0.18040181,GGA,P2_1/c,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Y,52.0,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Y +mp-16025,Y2(SO4)3,-7.635020691,-2.6525173756,0.0,-0.3702045876,GGA,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-S-Y,68.0,"Invalid WP multiplicities - A12B3C2_oP68_60_7d_cd_d:O-S-Y, expected Y2S3O14 to be Y2(SO4)3" +mp-2714011,Y2(SO4)3,-7.6325548948,-2.6500515794,0.0024657962,-0.3677387913,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-S-Y,102.0,A12B3C2_hR102_167_2f_e_c:O-S-Y +mp-8869,Y2S2O,-8.1829168755,-2.9524107412,0.011216985,0.011216985,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:O-S-Y,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_4e_2e:O-S-Y, expected Y2S4O to be Y2S2O" +mp-1208151,Y2S3O20,-6.090833349,-1.1197907069,0.6839211085,0.6839211085,GGA,C2/c,A20B3C2_mC100_15_10f_ef_f:O-S-Y,50.0,A20B3C2_mC100_15_10f_ef_f:O-S-Y +mp-1191743,Tb3B7W,-7.2562981173,-0.5638462149,0.0,-0.0266566027,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Tb-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Tb-W +mp-1191902,TbB4W,-7.9745744367,-0.5895638678,0.0,-0.0653932808,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Tb-W,24.0,A4BC_oP24_55_4h_g_g:B-Tb-W +mp-557110,Tb3BWO9,-8.9593782664,-3.383605502,0.0,-0.0193462057,GGA+U,P6_3,AB9C3D_hP28_173_a_3c_c_b:B-O-Tb-W,28.0,"Invalid WP multiplicities - AB9C3D_hP28_173_a_14c_c_b:B-O-Tb-W, expected Tb3BWO42 to be Tb3BWO9" +mp-1227453,CaU2(BO5)2,-9.2238804687,-3.3962744317,0.0,-0.0013172438,GGA,P1,A2BC10D2_aP30_1_4a_2a_20a_4a:B-Ca-O-U,30.0,"Invalid WP multiplicities - A2BC10D2_aP30_2_2i_i_11i_aci:B-Ca-O-U, expected CaU2B2O11 to be CaU2(BO5)2" +mp-18555,KEr(SO4)2,-7.0168691056,-2.5564918406,0.0067815519,0.0067815519,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Er-K-O-S,48.0,ABC8D2_mP48_14_e_e_8e_2e:Er-K-O-S +mp-1205074,K3Er(SO4)3,-6.6594616347,-2.4663811197,0.0,-0.0119744011,GGA,Pc,AB3C12D3_mP76_7_2a_6a_24a_6a:Er-K-O-S,76.0,AB3C12D3_mP76_7_2a_6a_24a_6a:Er-K-O-S +mp-4326,KErS2,-5.620206635,-2.1324522623,0.0,-0.1055477496,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-K-S,4.0,ABC2_hR12_166_a_b_c:Er-K-S +mp-1224251,K3Er7S12,-6.1072647768,-2.2462362808,0.0,-0.0074057397,GGA,Pmn2_1,A7B3C12_oP44_31_7a_3a_12a:Er-K-S,44.0,"Invalid WP multiplicities - A7B3C12_oP44_31_10a_4a_18a:Er-K-S, expected K2Er5S9 to be K3Er7S12" +mp-1212212,KEr(SO5)2,-6.4259409929,-1.8960906641,0.3010008152,0.3010008152,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:Er-K-O-S,56.0,ABC10D2_mP56_14_e_e_10e_2e:Er-K-O-S +mp-556156,LiUBO5,-8.7567737372,-3.1801277117,0.0032561942,0.0032561942,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:B-Li-O-U,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:B-Li-O-U, expected LiUBO15 to be LiUBO5" +mp-1219471,SbWNO6,-7.1044625089,-0.9818226575,0.7196185608,0.7196185608,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:N-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:N-O-Sb-W, expected SbWNO12 to be SbWNO6" +mp-16209,K3La(PS4)2,-5.1095142048,-1.3819850695,0.0,-0.0255130452,GGA,P2_1/c,A3BC2D8_mP56_14_3e_e_2e_8e:K-La-P-S,56.0,A3BC2D8_mP56_14_3e_e_2e_8e:K-La-P-S +mp-560649,KLa(PS3)2,-5.4883837883,-1.3192127616,0.0,-0.0212889382,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:K-La-P-S,40.0,"Invalid WP multiplicities - ABC2D6_mP40_14_e_e_6e_21e:K-La-P-S, expected KLa(P2S7)3 to be KLa(PS3)2" +mp-1223723,K8La(PS4)4,-4.738417851,-1.233052107,0.0408981631,0.0408981631,GGA,I222,A8BC4D16_oI58_23_efk_a_k_4k:K-La-P-S,29.0,A8BC4D16_oI58_23_efk_a_k_4k:K-La-P-S +mp-542081,K2LaP2S7,-5.2706268377,-1.3590802477,0.0,-0.0032503065,GGA,P2_1/c,A2BC2D7_mP48_14_2e_e_2e_7e:K-La-P-S,48.0,A2BC2D7_mP48_14_2e_e_2e_7e:K-La-P-S +mp-1223300,Mg2U4S2O27,-7.4891229246,-2.0548459224,0.4225451825,0.4225451825,GGA,C2/m,A2B27C2D4_mC70_12_i_a3i5j_h_j:Mg-O-S-U,35.0,A2B27C2D4_mC70_12_i_a3i5j_h_j:Mg-O-S-U +mp-1181299,MgUS2O21,-5.8572649686,-0.8554628594,0.5985302701,0.5985302701,GGA,C2/c,AB21C2D_mC100_15_c_e10f_f_e:Mg-O-S-U,50.0,AB21C2D_mC100_15_a_e10f_f_e:Mg-O-S-U +mp-1201251,MgUS2O21,-5.79298018,-0.7911780708,0.6628150587,0.6628150587,GGA,C2/c,AB21C2D_mC100_15_a_e10f_f_e:Mg-O-S-U,50.0,AB21C2D_mC100_15_a_e10f_f_e:Mg-O-S-U +mp-886588,NbPHO5,-4.8016651937,0.6534319497000001,3.2265496137,3.2265496137,GGA,P-1,ABC5D_aP16_2_i_be_5i_i:H-Nb-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_be_9i_i:H-Nb-O-P, expected NbPHO9 to be NbPHO5" +mp-756508,NbPHO5,-7.942179975,-2.4870828315,0.0860348325,0.0860348325,GGA,P-1,ABC5D_aP16_2_i_be_5i_i:H-Nb-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_be_9i_i:H-Nb-O-P, expected NbPHO9 to be NbPHO5" +mp-1399051,NbPHO5,-5.1355970231,0.3195001204,2.8926177844,2.8926177844,GGA,P-1,ABC5D_aP16_2_i_ab_5i_i:H-Nb-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_ab_9i_i:H-Nb-O-P, expected NbPHO9 to be NbPHO5" +mp-770824,Nb2P4H3O16,-7.7032283056,-2.4559876007,0.0835541152,0.0835541152,GGA,P1,A3B2C16D4_aP25_1_3a_2a_16a_4a:H-Nb-O-P,25.0,A3B2C16D4_aP25_1_3a_2a_16a_4a:H-Nb-O-P +mp-27141,P2H8O9,-6.126270887,-1.7847650041,0.0015445289,0.0015445289,GGA,P2_1/c,A8B9C2_mP76_14_8e_9e_2e:H-O-P,76.0,"Invalid WP multiplicities - A8B9C2_mP76_14_8e_15e_2e:H-O-P, expected P2H8O15 to be P2H8O9" +mp-626450,PH3O4,-6.2892451109,-1.8669656751,0.0138917666,-0.0105596392,GGA,Pc,A3B4C_mP32_7_6a_8a_2a:H-O-P,32.0,A3B4C_mP32_7_9a_12a_3a:H-O-P +mp-626449,PH3O4,-6.2924812972,-1.8702018614,0.0106555803,-0.0137958254,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:H-O-P,32.0,A3B4C_mP32_14_3e_4e_e:H-O-P +mp-626464,PH3O4,-6.2803629456,-1.8580835098,0.0227739319,-0.0016774739,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:H-O-P,32.0,A3B4C_mP32_14_3e_4e_e:H-O-P +mp-23902,PH3O4,-6.3031368775,-1.8808574417,0.0,-0.0244514057,GGA,P2_1/c,A3B4C_mP32_14_3e_4e_e:H-O-P,32.0,A3B4C_mP32_14_3e_4e_e:H-O-P +mp-625249,P(HO)3,-5.8409796657,-1.4936158407,0.1257860103,0.1257860103,GGA,P2_1,A3B3C_mP56_4_12a_12a_4a:H-O-P,56.0,A3B3C_mP56_4_12a_12a_4a:H-O-P +mp-625254,P(HO)3,-5.8190841079,-1.4717202828,0.1476815682,0.1476815682,GGA,Pc,A3B3C_mP56_7_12a_12a_4a:H-O-P,56.0,"Invalid WP multiplicities - A3B3C_mP56_7_23a_24a_8a:H-O-P, expected P8H23O24 to be P(HO)3" +mp-625231,P(HO)3,-5.8279833643,-1.4806195392,0.1387823117,0.1387823117,GGA,Pna2_1,A3B3C_oP56_33_6a_6a_2a:H-O-P,56.0,A3B3C_oP56_33_6a_6a_2a:H-O-P +mp-625207,P(HO)3,-5.8327214334,-1.4853576083,0.1340442426,0.1340442426,GGA,Pna2_1,A3B3C_oP56_33_6a_6a_2a:H-O-P,56.0,A3B3C_oP56_33_6a_6a_2a:H-O-P +mp-28157,P(HO)3,-5.9629972562,-1.6156334312,0.0037684198,0.0037684198,GGA,Pna2_1,A3B3C_oP56_33_6a_6a_2a:H-O-P,56.0,"Invalid WP multiplicities - A3B3C_oP56_33_8a_8a_2a:H-O-P, expected P(HO)4 to be P(HO)3" +mp-1180004,P(HO)3,-5.8494870086,-1.5021231835000002,0.1172786675,0.1172786675,GGA,Pna2_1,A3B3C_oP56_33_6a_6a_2a:H-O-P,56.0,A3B3C_oP56_33_6a_6a_2a:H-O-P +mp-27278,P(HO)4,-5.9707060111,-1.6628213965,0.0165583008,0.0165583008,GGA,Pccn,A4B4C_oP72_56_4e_4e_e:H-O-P,72.0,A4B4C_oP72_56_4e_4e_e:H-O-P +mp-1042231,YBi(WO4)2,-8.7235820558,-2.4071878564,0.0733930891,0.0733930891,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Bi-O-W-Y,12.0,AB8C2D_aP12_1_a_8a_2a_a:Bi-O-W-Y +mp-1041757,YBi(WO4)2,-8.778470478300001,-2.4620762789,0.0185046666,0.0185046666,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Bi-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Bi-O-W-Y +mp-29007,P4(SO2)3,-6.6460867535,-1.7428027616,0.0124615581,0.0124615581,GGA,P2_1/c,A6B4C3_mP52_14_6e_4e_3e:O-P-S,52.0,"Invalid WP multiplicities - A6B4C3_mP52_14_10e_7e_4e:O-P-S, expected P7(S2O5)2 to be P4(SO2)3" +mp-3667,P2S2O3,-6.5222601186,-1.6737499927,0.0,-0.0021691796,GGA,I-4c2,A3B2C2_tI56_120_fi_i_i:O-P-S,28.0,"Invalid WP multiplicities - A3B2C2_tI56_120_2f2i_i_i:O-P-S, expected PSO3 to be P2S2O3" +mp-28673,P4SO6,-6.9283941139,-1.8856857356,0.0541851627,0.0541851627,GGA,P2_1/c,A6B4C_mP44_14_6e_4e_e:O-P-S,44.0,A6B4C_mP44_14_6e_4e_e:O-P-S +mp-1105710,CsPSO2,-6.1732800475,-2.1055736139,0.0145598162,0.0145598162,GGA,P-1,AB2CD_aP20_2_2i_4i_2i_2i:Cs-O-P-S,20.0,AB2CD_aP20_2_2i_4i_2i_2i:Cs-O-P-S +mp-1200224,CsPSO2,-6.1818148963,-2.1141084627,0.0060249673,0.0060249673,GGA,P2_1/c,AB2CD_mP60_14_3e_6e_3e_3e:Cs-O-P-S,60.0,AB2CD_mP60_14_3e_6e_3e_3e:Cs-O-P-S +mp-29204,P4(S2O)3,-5.8550419481,-1.138736151,0.0,-0.0026845434,GGA,P2_1/m,A3B4C6_mP26_11_ef_2ef_2e2f:O-P-S,26.0,"Invalid WP multiplicities - A3B4C6_mP26_11_2e2f_4e2f_2e3f:O-P-S, expected P4S4O3 to be P4(S2O)3" +mp-29081,P4SO7,-7.0751487487,-2.0404420094,0.0215238528,0.0215238528,GGA,P-1,A7B4C_aP24_2_7i_4i_i:O-P-S,24.0,A7B4C_aP24_2_7i_4i_i:O-P-S +mp-29006,P2SO3,-6.7806258812,-1.8134390456,0.02804233,0.02804233,GGA,P2_1/c,A3B2C_mP48_14_6e_4e_2e:O-P-S,48.0,"Invalid WP multiplicities - A3B2C_mP48_14_23e_13e_6e:O-P-S, expected P13S6O23 to be P2SO3" +mp-637242,RbC2N3,-7.6658905146,-0.2579988758,0.1237779858,0.0168620737,GGA,Pbcm,A2B3C_oP24_57_2d_3d_c:C-N-Rb,24.0,"Invalid WP multiplicities - A2B3C_oP24_57_5d_10d_c:C-N-Rb, expected Rb(CN2)5 to be RbC2N3" +mp-672200,RbC2N3,-7.6670237692,-0.2591321304,0.1226447313,0.0157288192,GGA,C2,A2B3C_mC96_5_8c_12c_4c:C-N-Rb,48.0,"Invalid WP multiplicities - A2B3C_mC96_15_12f_22f_6f:C-N-Rb, expected Rb3C6N11 to be RbC2N3" +mp-683918,RbC2N3,-7.7896685004,-0.3817768617,0.0,-0.1069159121,GGA,P2_1/c,A2B3C_mP72_14_6e_9e_3e:C-N-Rb,72.0,"Invalid WP multiplicities - A2B3C_mP72_14_21e_35e_8e:C-N-Rb, expected Rb8(C3N5)7 to be RbC2N3" +mp-1238430,RbC2N3,-7.6681709367,-0.2602792979,0.1214975638,0.0145816517,GGA,C2/c,A2B3C_mC96_15_4f_6f_2f:C-N-Rb,48.0,A2B3C_mC96_15_4f_6f_2f:C-N-Rb +mp-1247386,Rb3BN2,-4.8536193042,-0.4712886644,0.1074583286,0.1074583286,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:B-N-Rb,24.0,AB2C3_mP24_14_e_2e_3e:B-N-Rb +mp-13591,RbB(CN)4,-7.938177908,-0.1461211567,0.3752209663,0.3752209663,GGA,I4_1/a,AB4C4D_tI40_88_a_f_f_b:B-C-N-Rb,20.0,AB4C4D_tI40_88_a_f_f_b:B-C-N-Rb +mp-1209706,RbB(CN)2,-6.9904484758,0.1412593039,0.8673926298,0.8673926298,GGA,I4_1/a,AB2C2D_tI48_88_c_f_f_d:B-C-N-Rb,24.0,AB2C2D_tI48_88_c_f_f_d:B-C-N-Rb +mp-1197786,RbCN2,-6.8263173744,-0.1057700206,0.3397708791,0.3397708791,GGA,P2_12_12_1,AB2C_oP32_19_2a_4a_2a:C-N-Rb,32.0,AB2C_oP32_19_2a_4a_2a:C-N-Rb +mp-1029784,Rb2CN2,-6.146160656,-0.5736159585,0.0,-0.2895776516,GGA,C2/m,AB2C2_mC10_12_a_i_i:C-N-Rb,5.0,AB2C2_mC10_12_a_i_i:C-N-Rb +mp-1190669,K4Ti4I12O,-4.2771313419,-1.4842433054,0.0196544498,0.0196544498,GGA,I4/m,A12B4CD4_tI42_87_hi_h_a_h:I-K-O-Ti,21.0,A12B4CD4_tI42_87_hi_h_a_h:I-K-O-Ti +mp-640578,KTiI3,-3.917784469,-1.2325864663,0.0508006934,0.0508006934,GGA,P6_3,A3BC_hP30_173_3c_c_a2b:I-K-Ti,30.0,"Invalid WP multiplicities - A3BC_hP30_173_15c_c_2a4b:I-K-Ti, expected KTi2I15 to be KTiI3" +mp-1112687,Cs2KYI6,-3.567455642,-1.7466683516,0.002636161,0.002636161,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Y +mp-541145,Ge2C2(SF2)3,-5.3581674273,-1.3903512657,0.3051923529,0.3051923529,GGA,Fd-3m,A2B6C2D3_cF208_227_e_g_e_f:C-F-Ge-S,52.0,A2B6C2D3_cF208_227_e_g_e_f:C-F-Ge-S +mp-28291,Ge(SF6)2,-4.6432519087,-2.2543402287,0.0,-0.0260194442,GGA,Pnnm,A12BC2_oP30_58_2g2h_a_g:F-Ge-S,30.0,"Invalid WP multiplicities - A12BC2_oP30_58_2g3h_a_g:F-Ge-S, expected Ge(SF8)2 to be Ge(SF6)2" +mp-31043,H5NF2,-4.9162532044,-1.2758678188,0.0,-0.0087972983,GGA,Pmna,A2B5C_oP32_53_eh_ab2i_g:F-H-N,32.0,"Invalid WP multiplicities - A2B5C_oP32_53_eh_ab3i_g:F-H-N, expected H7NF2 to be H5NF2" +mp-1103675,H4NF2,-4.4312595457,-0.7554942543000001,0.5689913160000001,0.5689913160000001,GGA,R-3m,A2B4C_hR42_166_2c_ch_c:F-H-N,14.0,A2B4C_hR42_166_2c_ch_c:F-H-N +mp-730190,H4NF,-5.005002421,-1.035189409,0.0316804298,-0.016910164,GGA,R3c,AB4C_hR144_161_ab_a5b_ab:F-H-N,48.0,AB4C_hR144_161_ab_a5b_ab:F-H-N +mp-23794,H4NF,-5.0366828508,-1.0668698388,0.0,-0.0485905938,GGA,P6_3mc,AB4C_hP12_186_b_bc_b:F-H-N,12.0,"Invalid WP multiplicities - AB4C_hP12_186_b_b2c_b:F-H-N, expected H7NF to be H4NF" +mp-28123,H7NF4,-4.7782289612,-1.4672712021,0.0,-0.0039706958,GGA,R3c,A4B7C_hR72_161_ab_a2b_a:F-H-N,24.0,A4B7C_hR72_161_ab_a2b_a:F-H-N +mp-1198625,H7N2F,-5.0455634992,-0.812208386,0.0,-0.0030139042,GGA,Pca2_1,AB7C2_oP40_29_a_7a_2a:F-H-N,40.0,AB7C2_oP40_29_a_7a_2a:F-H-N +mp-28124,H8NF5,-4.7336882829,-1.5168527027,0.0,-0.0035221885,GGA,I4_1/a,A5B8C_tI56_88_af_2f_b:F-H-N,28.0,A5B8C_tI56_88_af_2f_b:F-H-N +mp-1198073,CsH4NF2,-4.8346539306,-1.5064340041,0.0043643837,0.0043643837,GGA,Pnma,AB2C4D_oP32_62_c_2c_2cd_c:Cs-F-H-N,32.0,AB2C4D_oP32_62_c_2c_2cd_c:Cs-F-H-N +mp-1196740,Cs3H12N4F3,-4.8357827539,-1.0867220148,0.0,-0.0040671352,GGA,I-43d,A3B3C12D4_cI88_220_a_b_e_c:Cs-F-H-N,44.0,A3B3C12D4_cI88_220_a_b_e_c:Cs-F-H-N +mp-707160,HNF2,-4.3043035406,-0.4162588144,0.44657163,0.44657163,GGA,P1,A2BC_aP16_1_8a_4a_4a:F-H-N,16.0,A2BC_aP16_1_8a_4a_4a:F-H-N +mp-1189443,HNF2,-4.4526127437,-0.5645680175000001,0.2982624269,0.2982624269,GGA,Pca2_1,A2BC_oP16_29_2a_a_a:F-H-N,16.0,A2BC_oP16_29_2a_a_a:F-H-N +mp-27235,H5N2F,-5.1668722873,-0.7233599070000001,0.1484951732,0.1484951732,GGA,P2_12_12_1,AB5C2_oP64_19_2a_10a_4a:F-H-N,64.0,"Invalid WP multiplicities - AB5C2_oP64_19_2a_13a_4a:F-H-N, expected H13(N2F)2 to be H5N2F" +mp-28125,H11NF8,-4.6436529339,-1.5962372759,0.0,-0.0167421174,GGA,P2_1/c,A8B11C_mP80_14_8e_11e_e:F-H-N,80.0,"Invalid WP multiplicities - A8B11C_mP80_14_8e_14e_e:F-H-N, expected H14NF8 to be H11NF8" +mp-1212676,H4NF3,-4.3552285669,-0.8999990659,0.574003738,0.574003738,GGA,I4_1/a,A3B4C_tI64_88_cf_2f_d:F-H-N,32.0,A3B4C_tI64_88_cf_2f_d:F-H-N +mp-1201268,CeV2IO9,-7.6839086702,-2.2920266666,0.019490742,0.019490742,GGA+U,Pbcm,ABC9D2_oP52_57_d_d_c4d2e_cd:Ce-I-O-V,52.0,ABC9D2_oP52_57_d_d_c4d2e_cd:Ce-I-O-V +mp-510464,Ce(IO3)3,-5.69815786,-1.4771281211,0.0306340097,0.0306340097,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Ce-I-O,52.0,AB3C9_mP52_14_e_3e_9e:Ce-I-O +mp-1193742,Ce(IO3)3,-5.5516827569,-1.330653018,0.1771091127,0.1771091127,GGA,Pmmn,AB3C9_oP26_59_a_be_aefg:Ce-I-O,26.0,AB3C9_oP26_59_a_be_aefg:Ce-I-O +mp-743517,CeI4O13,-5.3970755714,-1.1674362491,0.1075262534,0.1075262534,GGA,P2_1/c,AB4C13_mP72_14_e_4e_13e:Ce-I-O,72.0,AB4C13_mP72_14_e_4e_13e:Ce-I-O +mp-778759,Ce(IO3)2,-6.0140676678,-1.7296283208,0.0762039407,0.0762039407,GGA,P2_1/c,AB2C6_mP36_14_e_2e_6e:Ce-I-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_3e_19e:Ce-I-O, expected CeI3O19 to be Ce(IO3)2" +mp-23493,Ce(IO3)4,-5.5374202432,-1.3499602968,0.0,-0.0209184847,GGA,P4_2/n,AB4C12_tP34_86_a_g_3g:Ce-I-O,34.0,"Invalid WP multiplicities - AB4C12_tP34_86_a_g_4g:Ce-I-O, expected Ce(IO4)4 to be Ce(IO3)4" +mp-1190901,VZn2IO7,-6.0205503436,-1.6838611965,0.0020668807,0.0020668807,GGA+U,Pc,AB7CD2_mP22_7_a_7a_a_2a:I-O-V-Zn,22.0,AB7CD2_mP22_7_a_7a_a_2a:I-O-V-Zn +mp-1178730,ZnB2(NF2)4,-5.0018752548,-0.7847860154,1.3957239163,1.3957239163,GGA,Pnma,A2B8C4D_oP60_62_2c_4c2d_2cd_c:B-F-N-Zn,60.0,A2B8C4D_oP60_62_2c_4c2d_2cd_c:B-F-N-Zn +mp-1199452,ZnB2(NF2)4,-5.0383631548,-0.8212739154,1.3592360163,1.3592360163,GGA,Pnma,A2B8C4D_oP60_62_2c_4c2d_2cd_c:B-F-N-Zn,60.0,A2B8C4D_oP60_62_2c_4c2d_2cd_c:B-F-N-Zn +mp-1194808,KGd(BH4)4,-4.7755693345,-0.4034009259,0.0,-0.0172209316,GGA,P2_1/c,A4BC16D_mP44_14_2e_a_8e_d:B-Gd-H-K,44.0,A4BC16D_mP44_14_2e_a_8e_d:B-Gd-H-K +mp-1195504,K2Gd(BH4)5,-4.6326122718,-0.4344551329,0.0,-0.0074942552,GGA,P2_1/m,A5BC20D2_mP112_11_4e3f_2e_8e16f_aef:B-Gd-H-K,112.0,A5BC20D2_mP112_11_4e3f_2e_8e16f_aef:B-Gd-H-K +mp-1194976,K3Gd(BH4)6,-4.5277671638,-0.4422055525,0.0057234566,0.0057234566,GGA,P2_1/c,A6BC24D3_mP68_14_3e_a_12e_de:B-Gd-H-K,68.0,A6BC24D3_mP68_14_3e_a_12e_be:B-Gd-H-K +mp-1216119,YBi2NO7,-6.5707003218,-1.3788125694,0.5686855263,0.5686855263,GGA,Cm,A2BC7D_mC22_8_2a_a_a3b_a:Bi-N-O-Y,11.0,A2BC7D_mC22_8_2a_a_a3b_a:Bi-N-O-Y +mp-1192306,K2U(PdS2)3,-5.6696844721,-1.1804717608,0.0,-0.0502050196,GGA,Fmmm,A2B3C6D_oF96_69_fg_hm_np_i:K-Pd-S-U,24.0,A2B3C6D_oF96_69_fg_hm_np_i:K-Pd-S-U +mp-1225346,Dy3SOF5,-7.313349982,-4.0672605884,0.0063287504,0.0063287504,GGA,Pm,A3B5CD_mP20_6_3a3b_4a6b_2a_ab:Dy-F-O-S,20.0,A3B5CD_mP20_6_3a3b_4a6b_2a_ab:Dy-F-O-S +mp-28257,SOF2,-5.1808092041,-1.9542850758,0.0,-0.0924127996,GGA,P2_1/c,A2BC_mP32_14_4e_2e_2e:F-O-S,32.0,"Invalid WP multiplicities - A2BC_mP32_14_6e_3e_2e:F-O-S, expected S2(OF2)3 to be SOF2" +mp-8537,S(OF)2,-5.5507990825,-1.9802420376,0.0,-0.0921105231,GGA,P4_12_12,A2B2C_tP20_92_b_b_a:F-O-S,20.0,A2B2C_tP20_92_b_b_a:F-O-S +mp-1206833,Dy2S2F,-4.799876694,-0.9202862178,1.9630810745,1.9630810745,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Dy-F-S,5.0,A2BC2_tP5_123_g_a_g:Dy-F-S +mp-28676,S2O5F2,-5.8957878014,-1.8036432208,0.0,-0.0019939359,GGA,P-42_1c,A2B5C2_tP36_114_e_d2e_e:F-O-S,36.0,"Invalid WP multiplicities - A2B5C2_tP36_114_e_d4e_e:F-O-S, expected S2O9F2 to be S2O5F2" +mp-1194599,KTaV2O8,-8.5815955829,-2.6891373823,0.0023356858,0.0023356858,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:K-O-Ta-V,48.0,AB8CD2_oP48_62_c_4c2d_c_2c:K-O-Ta-V +mp-11887,K2U3(TeO7)2,-8.1937672776,-2.8778014839,0.0,-0.008976979,GGA,P-1,A2B14C2D3_aP21_2_i_7i_i_ai:K-O-Te-U,21.0,"Invalid WP multiplicities - A2B14C2D3_aP21_2_i_8i_i_ai:K-O-Te-U, expected K2U3(TeO8)2 to be K2U3(TeO7)2" +mp-556212,K4U5Te2O21,-8.379078455,-3.0332746875,0.0,-0.0002274133,GGA,P-1,A4B21C2D5_aP32_2_2i_a10i_i_c2i:K-O-Te-U,32.0,"Invalid WP multiplicities - A4B21C2D5_aP32_2_4i_a19i_i_c2i:K-O-Te-U, expected K8U5Te2O39 to be K4U5Te2O21" +mp-1191957,KU(TeO4)2,-7.1137644329,-2.2586035634,0.0737486822,0.0737486822,GGA,Cmcm,AB8C2D_oC48_63_a_2cfh_g_b:K-O-Te-U,24.0,AB8C2D_oC48_63_a_2cfh_g_b:K-O-Te-U +mp-10434,K2UTe3,-4.97197277,-1.1482851727,0.0,-0.086443745,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:K-Te-U,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2ij_h:K-Te-U, expected K2UTe4 to be K2UTe3" +mp-1179411,U2O5F8,-6.8498600795,-2.6759870584,0.2707701569,0.2707701569,GGA,Pnma,A8B5C2_oP60_62_4c2d_c2d_2c:F-O-U,60.0,A8B5C2_oP60_62_4c2d_c2d_2c:F-O-U +mp-1217426,USb2OF14,-5.8038649178,-2.956264543,0.0086423989,0.0086423989,GGA,P2_1/c,A14BC2D_mP72_14_14e_e_2e_e:F-O-Sb-U,72.0,A14BC2D_mP72_14_14e_e_2e_e:F-O-Sb-U +mp-1216814,UOF3,-7.73244835,-3.3379412252,0.5052047857,0.5052047857,GGA,P3m1,A3BC_hP5_156_abc_a_b:F-O-U,5.0,A3BC_hP5_156_abc_a_b:F-O-U +mp-17004,UOF4,-7.5701359812,-3.5894668827,0.0939796365,0.0939796365,GGA,I-42d,A4BC_tI48_122_2e_d_d:F-O-U,24.0,"Invalid WP multiplicities - A4BC_tI48_122_3e_d_d:F-O-U, expected UOF6 to be UOF4" +mp-559734,UOF4,-7.6395214628,-3.6588523642,0.0245941549,0.0245941549,GGA,R3m,A4BC_hR54_160_2bc_b_b:F-O-U,18.0,"Invalid WP multiplicities - A4BC_hR54_160_4b3c_b_b:F-O-U, expected UOF10 to be UOF4" +mp-634809,U(OF)2,-8.539787806,-3.5382387325,0.13821198,0.1100394635,GGA,C2/m,A2B2C_mC10_12_i_i_a:F-O-U,5.0,A2B2C_mC10_12_i_i_a:F-O-U +mp-27980,U(OF)2,-8.677999786,-3.6764507125,0.0,-0.0281725165,GGA,R-3m,A2B2C_hR15_166_c_c_a:F-O-U,5.0,A2B2C_hR15_166_c_c_a:F-O-U +mp-669523,USb2F15,-5.5016813006,-2.8227036893,0.2093354885,0.2093354885,GGA,P2_1/c,A15B2C_mP72_14_15e_2e_e:F-Sb-U,72.0,A15B2C_mP72_14_15e_2e_e:F-Sb-U +mp-1178972,USb2F15,-5.6512329108,-2.9722552996,0.0597838782,0.0597838782,GGA,P2_1/c,A15B2C_mP72_14_15e_2e_e:F-Sb-U,72.0,"Invalid WP multiplicities - A15B2C_mP72_14_57e_8e_e:F-Sb-U, expected USb8F57 to be USb2F15" +mp-561241,USb3O2F17,-5.718809422,-2.846334048,0.0,-0.0239405905,GGA,P2_1/c,A17B2C3D_mP92_14_17e_2e_3e_e:F-O-Sb-U,92.0,"Invalid WP multiplicities - A17B2C3D_mP92_14_67e_3e_7e_e:F-O-Sb-U, expected USb7O3F67 to be USb3O2F17" +mp-18719,KLu(WO4)2,-8.6200483979,-2.6932884298,0.0,-0.0206930816,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:K-Lu-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:K-Lu-O-W +mp-554964,Pr7BP2O17,-8.564220869,-3.5617747519,0.0,-0.0071641236,GGA,P2_1/c,AB17C2D7_mP108_14_e_17e_2e_7e:B-O-P-Pr,108.0,"Invalid WP multiplicities - AB17C2D7_mP108_14_e_65e_4e_23e:B-O-P-Pr, expected Pr23BP4O65 to be Pr7BP2O17" +mp-1213462,Dy7BP2O17,-8.6275125802,-3.6702084041,0.0266680086,0.0266680086,GGA,P2_1/c,AB7C17D2_mP108_14_e_7e_17e_2e:B-Dy-O-P,108.0,AB7C17D2_mP108_14_e_7e_17e_2e:B-Dy-O-P +mp-556626,Eu3BWO9,-9.710510195,-2.9298869234,0.0059902616,0.0059902616,GGA+U,P6_3,AB3C9D_hP28_173_a_c_3c_b:B-Eu-O-W,28.0,"Invalid WP multiplicities - AB3C9D_hP28_173_a_c_13c_b:B-Eu-O-W, expected Eu3BWO39 to be Eu3BWO9" +mp-1041824,V(WO4)2,-8.9037049382,-2.1242798273,0.1464374725,0.1464374725,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-V-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-V-W, expected V(WO8)2 to be V(WO4)2" +mp-1047717,V(WO4)2,-8.9357904673,-2.1563653564,0.1143519434,0.1143519434,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-V-W,22.0,A8BC2_mP22_13_4g_e_g:O-V-W +mp-773080,V7(WO5)6,-8.989623147,-2.2515583747,0.0994319437,0.0994319437,GGA+U,P1,A30B7C6_aP43_1_30a_7a_6a:O-V-W,43.0,A30B7C6_aP43_1_30a_7a_6a:O-V-W +mp-20312,V2WO6,-9.1836433717,-2.4274128564,0.0,-0.0447667836,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-V-W,18.0,A6B2C_tP18_136_fj_e_a:O-V-W +mp-1216504,V5W3O20,-8.7930305,-2.2491842405,0.0601517294,0.0601517294,GGA+U,P1,A20B5C3_aP28_1_20a_5a_3a:O-V-W,28.0,A20B5C3_aP28_1_20a_5a_3a:O-V-W +mp-757241,V5W3O20,-8.805264707,-2.2614184475,0.0479175225,0.0479175225,GGA+U,P-1,A20B5C3_aP56_2_20i_5i_3i:O-V-W,56.0,A20B5C3_aP56_2_40i_10i_6i:O-V-W +mp-1642031,VWO4,-9.2548422092,-2.2833770183,0.0465613042,0.0465613042,GGA+U,P1,A4BC_aP24_1_16a_4a_4a:O-V-W,24.0,A4BC_aP24_1_16a_4a_4a:O-V-W +mp-1638941,VWO4,-9.2532920529,-2.2818268621,0.0481114604,0.0481114604,GGA+U,P2,A4BC_mP24_3_8e_abcd_abcd:O-V-W,24.0,"Invalid WP multiplicities - A4BC_mP24_13_14g_2ef_e2f:O-V-W, expected V3W3O28 to be VWO4" +mp-770868,VWO4,-9.2674296025,-2.2959644117,0.0339739108,0.0339739108,GGA+U,Pbcn,A4BC_oP24_60_2d_c_c:O-V-W,24.0,A4BC_oP24_60_2d_c_c:O-V-W +mp-772655,V3(WO6)2,-8.8815971284,-2.2622887046,0.0826897462,0.0826897462,GGA+U,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-V-W,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_43e_11e_3e:O-V-W, expected V11W3O43 to be V3(WO6)2" +mp-1225856,CsVWO6,-8.1575727878,-2.3111760167,0.0067616793,0.0067616793,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-V-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-V-W, expected CsVWO12 to be CsVWO6" +mp-7147,KCrP2S7,-5.4664720518,-0.8714538247,0.0,-0.0422090404,GGA,C2,ABC2D7_mC22_5_a_b_c_a3c:Cr-K-P-S,11.0,"Invalid WP multiplicities - ABC2D7_mC22_5_a_b_c_a4c:Cr-K-P-S, expected KCrP2S9 to be KCrP2S7" +mp-559251,K3Cr2(PS4)3,-5.3688549354,-0.9431250502,0.0333359181,0.0333359181,GGA,P2_1/c,A2B3C3D12_mP80_14_2e_3e_3e_12e:Cr-K-P-S,80.0,"Invalid WP multiplicities - A2B3C3D12_mP80_14_4e_10e_8e_44e:Cr-K-P-S, expected K5Cr2(P2S11)2 to be K3Cr2(PS4)3" +mp-643367,YCBr,-7.0352756067,-1.2858872947,0.0,-0.0585896563,GGA,C2/m,ABC_mC12_12_i_i_i:Br-C-Y,6.0,ABC_mC12_12_i_i_i:Br-C-Y +mp-37919,YCBr,-6.03186773,-0.2824794181,1.0034078767,0.9448182203,GGA,Pmmn,ABC_oP6_59_a_a_b:Br-C-Y,6.0,ABC_oP6_59_a_a_b:Br-C-Y +mp-1208063,YC9(BrO4)3,-6.5774595976,-0.4357071948,1.2195750859,1.2195750859,GGA,P-1,A3B9C12D_aP50_2_3i_9i_12i_i:Br-C-O-Y,50.0,A3B9C12D_aP50_2_3i_9i_12i_i:Br-C-O-Y +mp-1216138,Y3CBr3,-6.3283577814,-1.5730486639,0.0,-0.0885768586,GGA,R-3,A3BC3_hR42_148_f_c_f:Br-C-Y,14.0,A3BC3_hR42_148_f_c_f:Br-C-Y +mp-1197968,K10Ge18WO4,-4.4560156772,-0.6056103458000001,0.0169232825,0.0169232825,GGA+U,P2_1/c,A18B10C4D_mP132_14_18e_10e_4e_e:Ge-K-O-W,132.0,A18B10C4D_mP132_14_18e_10e_4e_e:Ge-K-O-W +mp-1194925,GdB(SO4)3,-7.7673409881,-2.3246863912,0.0,-0.1811647001,GGA,C2/c,ABC12D3_mC136_15_f_f_12f_3f:B-Gd-O-S,68.0,ABC12D3_mC136_15_f_f_12f_3f:B-Gd-O-S +mp-29188,VHgO3,-6.635623628,-1.7900931143,0.0,-0.0091616501,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Hg-O-V,10.0,AB3C_aP10_2_i_3i_i:Hg-O-V +mp-1016938,VHgO3,-6.347981838,-1.5024513242,0.28764179,0.2784801399,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-V,5.0,AB3C_cP5_221_a_c_b:Hg-O-V +mp-540566,V2Hg2O7,-6.5714723464,-1.7167456328,0.0,-0.012770942,GGA+U,Pnma,A2B7C2_oP44_62_2c_7c_2c:Hg-O-V,44.0,A2B7C2_oP44_62_2c_7c_2c:Hg-O-V +mp-1179664,V2Hg2O7,-5.626228025,-0.7715013115,0.9452443214,0.9324733793,GGA+U,Pnma,A2B7C2_oP44_62_2c_7c_2c:Hg-O-V,44.0,"Invalid WP multiplicities - A2B7C2_oP44_62_2c_24c_5c:Hg-O-V, expected V5(HgO12)2 to be V2Hg2O7" +mp-29189,V(HgO2)2,-5.6919949434,-1.4808489941,0.0,-0.0197283509,GGA+U,P2_1/c,A2B4C_mP56_14_ad3e_8e_2e:Hg-O-V,56.0,"Invalid WP multiplicities - A2B4C_mP56_14_2ad4e_8e_2e:Hg-O-V, expected V4Hg11O16 to be V(HgO2)2" +mp-505236,V2Hg(P2O7)2,-7.7307687505,-2.5222761558,0.0,-0.0133800956,GGA+U,P-1,AB14C4D2_aP21_2_a_7i_2i_be:Hg-O-P-V,21.0,"Invalid WP multiplicities - AB14C4D2_aP21_2_a_8i_2i_be:Hg-O-P-V, expected V2Hg(PO4)4 to be V2Hg(P2O7)2" +mp-555798,VHg4P2O9,-5.9994607923,-1.8966213583,0.0,-0.0261076108,GGA+U,Pnma,A4B9C2D_oP64_62_2d_c4d_d_c:Hg-O-P-V,64.0,"Invalid WP multiplicities - A4B9C2D_oP64_62_12d_4c22d_d_c:Hg-O-P-V, expected VHg24(PO24)2 to be VHg4P2O9" +mp-554760,V4HgO10,-7.8864203913,-2.1460076075,0.0155491553,0.0155491553,GGA+U,C2/m,AB10C4_mC60_12_i_10i_4i:Hg-O-V,30.0,"Invalid WP multiplicities - AB10C4_mC60_12_i_17i_7i:Hg-O-V, expected V7HgO17 to be V4HgO10" +mp-17749,V2HgO6,-7.2908852711,-1.9407047408,0.0,-0.0010538436,GGA+U,Pbca,AB6C2_oP36_61_a_3c_c:Hg-O-V,36.0,"Invalid WP multiplicities - AB6C2_oP36_61_a_20c_c:Hg-O-V, expected V2HgO40 to be V2HgO6" +mp-555435,S4IN3Cl2,-4.7060818595,-0.0335094682,0.2595898822,0.2595898822,GGA,P2_1/c,A2BC3D4_mP40_14_2e_e_3e_4e:Cl-I-N-S,40.0,"Invalid WP multiplicities - A2BC3D4_mP40_14_2e_e_10e_16e:Cl-I-N-S, expected S16I(N5Cl)2 to be S4IN3Cl2" +mp-616514,S(IN)2,-4.2602010075,0.4910334759,0.6279652989,0.6279652989,GGA,P-1,A2B2C_aP20_2_4i_4i_2i:I-N-S,20.0,"Invalid WP multiplicities - A2B2C_aP20_2_7i_6i_2i:I-N-S, expected S2I7N6 to be S(IN)2" +mp-1179634,S(IN)2,-4.270047327,0.4811871564,0.6181189794,0.6181189794,GGA,P-1,A2B2C_aP20_2_4i_4i_2i:I-N-S,20.0,"Invalid WP multiplicities - A2B2C_aP20_2_7i_6i_2i:I-N-S, expected S2I7N6 to be S(IN)2" +mp-29264,SICl7,-2.7349012917,-0.6738376431,0.0,-0.1807334498,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:Cl-I-S,36.0,A7BC_mP36_14_7e_e_e:Cl-I-S +mp-16866,KNpN3O11,-7.4672090122,-1.6246315605,0.0,-0.1477026538,GGA,R-3c,AB3CD11_hR96_167_b_e_a_cef:K-N-Np-O,32.0,"Invalid WP multiplicities - AB3CD11_hR96_167_b_e_a_ce2f:K-N-Np-O, expected KNpN3O17 to be KNpN3O11" +mp-578781,BaP4(W2O7)8,-8.9133377452,-2.3170151935,0.0134453215,0.0134453215,GGA+U,P-1,AB56C4D16_aP77_2_b_ad27i_2i_8i:Ba-O-P-W,77.0,"Invalid WP multiplicities - AB56C4D16_aP77_2_b_ad54i_2i_15i:Ba-O-P-W, expected BaP4(W3O11)10 to be BaP4(W2O7)8" +mp-565234,BaP4(W2O7)8,-8.905314239900001,-2.3089916882,0.0214688268,0.0214688268,GGA+U,C2/m,AB56C4D16_mC154_12_a_f9i9j_j_4j:Ba-O-P-W,77.0,AB56C4D16_mC154_12_a_f9i9j_j_4j:Ba-O-P-W +mp-559574,K3Sm(BO3)2,-7.0768813002,-2.8194897348,0.0,-0.0487332544,GGA,Pnma,A2B3C6D_oP48_62_2c_cd_4cd_c:B-K-O-Sm,48.0,"Invalid WP multiplicities - A2B3C6D_oP48_62_5c_2c3d_13c6d_c:B-K-O-Sm, expected K8Sm(BO5)5 to be K3Sm(BO3)2" +mp-23566,Mn3B7IO13,-8.4391122885,-2.604857794,0.0,-0.0199586726,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-I-Mn-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_9a_a_3a_16a:B-I-Mn-O, expected Mn3B9IO16 to be Mn3B7IO13" +mp-560038,Mn3B7IO13,-8.4345006462,-2.6002461517,0.0046116423,-0.0153470303,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-I-Mn-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_3c3e_a_d_2b3h:B-I-Mn-O, expected Mn3B21IO38 to be Mn3B7IO13" +mp-1224411,GdYV2O8,-9.7076208417,-3.1839612431,0.0007963096,0.0007963096,GGA+U,I-4m2,AB8C2D_tI24_119_a_2i_bc_d:Gd-O-V-Y,12.0,"Invalid WP multiplicities - AB8C2D_tI24_119_a_6i_bc_d:Gd-O-V-Y, expected GdYV2O24 to be GdYV2O8" +mp-1224509,GdY3V4O16,-9.3945262438,-3.1879354421,0.0004795377,0.0004795377,GGA+U,C222,AB16C4D3_oC48_21_a_4l_bdk_ck:Gd-O-V-Y,24.0,"Invalid WP multiplicities - AB16C4D3_oC48_21_a_15l_bdk_ck:Gd-O-V-Y, expected GdY3V4O60 to be GdY3V4O16" +mp-1224710,Gd3YV4O16,-10.0214234167,-3.1806950211,0.0004051044,0.0004051044,GGA+U,C222,A3B16C4D_oC48_21_ak_4l_bdk_c:Gd-O-V-Y,24.0,"Invalid WP multiplicities - A3B16C4D_oC48_21_ak_15l_bdk_c:Gd-O-V-Y, expected Gd3YV4O60 to be Gd3YV4O16" +mp-1047532,YTi(WO4)2,-9.32764948,-2.6733383733,0.1993993449,0.1993993449,GGA+U,P1,A8BC2D_aP12_1_8a_a_2a_a:O-Ti-W-Y,12.0,A8BC2D_aP12_1_8a_a_2a_a:O-Ti-W-Y +mp-1042631,YTi(WO4)2,-9.4597604992,-2.8054493925,0.0672883257,0.0672883257,GGA+U,P-1,A8BC2D_aP24_2_8i_i_2i_i:O-Ti-W-Y,24.0,"Invalid WP multiplicities - A8BC2D_aP24_2_14i_i_4i_i:O-Ti-W-Y, expected YTi(W2O7)2 to be YTi(WO4)2" +mp-1198358,B2Pb6WO12,-7.1332736798,-1.9926517404,0.001716594,0.001716594,GGA+U,Cmcm,A2B12C6D_oC84_63_e_ef2gh_gh_c:B-O-Pb-W,42.0,A2B12C6D_oC84_63_e_ef2gh_gh_c:B-O-Pb-W +mp-1208585,UMn(OF2)3,-6.7522658218,-2.501141709,0.3450319995,0.3450319995,GGA+U,C2/c,A6BC3D_mC44_15_3f_c_ef_e:F-Mn-O-U,22.0,"Invalid WP multiplicities - A6BC3D_mC44_15_6f_a_ef_e:F-Mn-O-U, expected UMn(OF4)3 to be UMn(OF2)3" +mp-1215866,Yb2US3O2,-7.1966578288,-2.6124886296,0.1042447369,0.1042447369,GGA,I4mm,A2B3CD2_tI16_107_b_3a_a_2a:O-S-U-Yb,,A2B3CD2_tI16_107_b_3a_a_2a:O-S-U-Yb +mp-1206557,YbU2S3O2,-8.4187045237,-2.6155601084,0.0952952175,0.0952952175,GGA,I4/mmm,A2B3C2D_tI16_139_d_ae_e_b:O-S-U-Yb,,A2B3C2D_tI16_139_d_ae_e_b:O-S-U-Yb +mp-683986,Yb11(U2S11)2,-6.0193164076,-1.8813913213,0.2236403781,0.2236403781,GGA,C2/m,A22B4C11_mC74_12_11i_2i_a5i:S-U-Yb,,"Invalid WP multiplicities - A22B4C11_mC74_12_21i_3i_a10i:S-U-Yb, expected Yb7(US7)2 to be Yb11(U2S11)2" +mp-554581,KSmP2S7,-5.3695532661,-1.2231224331,0.0,-0.0291824385,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:K-P-S-Sm,44.0,"Invalid WP multiplicities - AB2C7D_mP44_14_e_8e_26e_e:K-P-S-Sm, expected KSm(P4S13)2 to be KSmP2S7" +mp-555587,K2SmP2S7,-5.2022251758,-1.308797,0.0,-0.0116111182,GGA,C2,A2B2C7D_mC48_5_2c_2c_7c_c:K-P-S-Sm,24.0,"Invalid WP multiplicities - A2B2C7D_mC48_5_4c_2c_13c_c:K-P-S-Sm, expected K4SmP2S13 to be K2SmP2S7" +mp-694075,FeI(NO)2,-6.2910306219,-0.2060714831,0.7153837984,0.7153837984,GGA+U,P2_1/c,ABC2D2_mP48_14_2e_2e_4e_4e:Fe-I-N-O,48.0,ABC2D2_mP48_14_2e_2e_4e_4e:Fe-I-N-O +mp-754661,INO3,-5.5279650055000005,-0.5979795238,0.0809387324,0.0809387324,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:I-N-O,20.0,"Invalid WP multiplicities - ABC3_oP20_19_a_a_9a:I-N-O, expected INO9 to be INO3" +mp-1181075,INO3,-5.184532285,-0.2545468033,0.4243714529,0.4243714529,GGA,Pna2_1,ABC3_oP20_33_a_a_3a:I-N-O,20.0,ABC3_oP20_33_a_a_3a:I-N-O +mp-1095611,INO4,-4.1846344258,0.7481349275,1.4659265932,1.4659265932,GGA,I4_1/a,ABC4_tI24_88_a_b_f:I-N-O,12.0,ABC4_tI24_88_a_b_f:I-N-O +mp-1102791,INO4,-5.1680606683,-0.235291315,0.4825003507,0.4825003507,GGA,I4_1/a,ABC4_tI24_88_a_b_f:I-N-O,12.0,ABC4_tI24_88_a_b_f:I-N-O +mp-1194757,I3NO9,-5.0189839292,-0.6130768234,0.133818442,0.133818442,GGA,P-1,A3BC9_aP26_2_3i_i_9i:I-N-O,26.0,A3BC9_aP26_2_3i_i_9i:I-N-O +mp-1080477,I(NO3)2,-5.7143234111,-0.4002691369,0.3073014316,0.3073014316,GGA,R-3,AB2C6_hR27_148_a_c_f:I-N-O,9.0,AB2C6_hR27_148_a_c_f:I-N-O +mp-1194908,GeH2(C2F5)2,-5.4564836447000005,-1.4895464924,0.349674414,0.349674414,GGA,Fdd2,A4B10CD2_oF136_43_2b_5b_a_b:C-F-Ge-H,34.0,A4B10CD2_oF136_43_2b_5b_a_b:C-F-Ge-H +mp-1196283,H12C71F4,-7.9473046097,0.1399813487,0.3279017637,0.3279017637,GGA,P-1,A71B4C12_aP174_2_71i_4i_12i:C-F-H,174.0,A71B4C12_aP174_2_71i_4i_12i:C-F-H +mp-1366149,H12C71F4,-6.4322481285,1.6550378299,1.8429582449,1.8429582449,GGA,P-1,A71B4C12_aP174_2_71i_4i_12i:C-F-H,174.0,A71B4C12_aP174_2_71i_4i_12i:C-F-H +mp-1033247,Mg6BWO8,-6.5552881469,-2.2544936474,0.6043839847,0.6043839847,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-W, expected Mg6BWO12 to be Mg6BWO8" +mp-1033319,Mg6BWO8,-6.5354255713,-2.2346310718,0.6242465603,0.6242465603,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-W, expected Mg6BWO12 to be Mg6BWO8" +mp-1026491,Mg14BW,-2.3067128906,0.3208772782,0.3668366664,0.3668366664,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-W, expected Mg18BW to be Mg14BW" +mp-1026451,Mg14BW,-2.3278247581,0.2997654107,0.3457247989,0.3457247989,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-W, expected Mg26BW to be Mg14BW" +mp-1033804,Mg14BWO16,-6.4326518306,-2.6455123906,0.3109465752,0.3109465752,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-W, expected Mg18BWO20 to be Mg14BWO16" +mp-1033759,Mg14BWO16,-6.4339160384,-2.6467765984,0.3096823673,0.3096823673,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-W, expected Mg30BWO32 to be Mg14BWO16" +mp-1038517,Mg30BWO32,-6.3813732127,-2.8510613023,0.1541883302,0.1541883302,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-W, expected Mg90BWO80 to be Mg30BWO32" +mp-1038510,Mg30BWO32,-6.3827750431,-2.8524631328,0.1527864998,0.1527864998,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-W, expected Mg110BWO72 to be Mg30BWO32" +mp-1017056,Mg6BW,-3.1940358006,0.460864487,0.5527832634000001,0.5527832634000001,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-W, expected Mg12BW to be Mg6BW" +mp-1017057,Mg6BW,-3.07303329,0.5818669976,0.6737857741000001,0.6737857741000001,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-W, expected Mg12BW to be Mg6BW" +mp-1210883,Nd7V2BO17,-8.696447394,-3.4254124299,0.0289712576,0.0289712576,GGA+U,P2_1/c,AB7C17D2_mP108_14_e_7e_17e_2e:B-Nd-O-V,108.0,AB7C17D2_mP108_14_e_7e_17e_2e:B-Nd-O-V +mp-1215049,Ba3V2O7F5,-6.7756007693,-2.7691917824,0.2525796761,0.2525796761,GGA+U,Pnnm,A3B5C7D2_oP68_58_e2g_3gh_f3h_h:Ba-F-O-V,68.0,A3B5C7D2_oP68_58_e2g_3gh_f3h_h:Ba-F-O-V +mp-671329,BaVOF4,-6.8089479393,-3.4381642834,0.0131125825,-0.0189365461,GGA+U,P1,AB4CD_aP28_1_4a_16a_4a_4a:Ba-F-O-V,28.0,"Invalid WP multiplicities - AB4CD_mC56_9_4a_16a_3a_3a:Ba-F-O-V, expected Ba4V3O3F16 to be BaVOF4" +mp-556379,BaVOF4,-6.8220605218,-3.4512768659,0.0,-0.0320491286,GGA+U,Fdd2,AB4CD_oF112_43_b_4b_b_b:Ba-F-O-V,28.0,"Invalid WP multiplicities - AB4CD_oF112_43_b_15b_b_b:Ba-F-O-V, expected BaVOF15 to be BaVOF4" +mp-1096156,AlV2W,-4.546935875,4.170943675,4.3201395425,4.3201395425,GGA,Immm,AB2C_oI8_71_a_e_b:Al-V-W,4.0,AB2C_oI8_71_a_e_b:Al-V-W +mp-1262938,AlV2W,-4.961969865,3.755909685,3.9051055525,3.9051055525,GGA,Immm,AB2C_oI8_71_a_e_b:Al-V-W,4.0,AB2C_oI8_71_a_e_b:Al-V-W +mp-1047301,AlV(WO4)2,-8.8584986117,-2.3318942742,0.174853665,0.174853665,GGA+U,P-1,AB8CD2_aP12_2_a_4i_e_i:Al-O-V-W,12.0,"Invalid WP multiplicities - AB8CD2_aP12_2_a_8i_e_i:Al-O-V-W, expected AlV(WO8)2 to be AlV(WO4)2" +mp-1042105,AlV(WO4)2,-9.0116766775,-2.48507234,0.0216755992,0.0216755992,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-V-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-V-W +mp-1395990,V4ZnS8,-6.4769148223,-1.0394558358,0.1675162099,0.1675162099,GGA,R-3m,A8B4C_hR39_166_ch_ad_b:S-V-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_ad_b:S-V-Zn, expected V4ZnS14 to be V4ZnS8" +mp-1407346,V4ZnS8,-6.5529268546,-1.1154678681,0.0915041776,0.0915041776,GGA,R-3m,A8B4C_hR39_166_ch_bd_a:S-V-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:S-V-Zn, expected V4ZnS14 to be V4ZnS8" +mp-1369435,VZnSF5,-5.5232222987,-2.5185355007,0.0686166159,0.0686166159,GGA+U,P-1,A5BCD_aP16_2_5i_i_ae_i:F-S-V-Zn,16.0,"Invalid WP multiplicities - A5BCD_aP16_2_9i_i_ae_i:F-S-V-Zn, expected VZnSF9 to be VZnSF5" +mp-1329064,V2ZnS5,-5.8342297869,-0.8205041513,0.3464923038,0.3464923038,GGA,Pmmn,A5B2C_oP16_59_a2e_e_b:S-V-Zn,16.0,A5B2C_oP16_59_a2e_e_b:S-V-Zn +mvc-14772,V2ZnS4,-6.2634096879,-1.1243589425,0.087202169,0.087202169,GGA,F-43m,A4B2C_cF56_216_2e_e_ac:S-V-Zn,14.0,"Invalid WP multiplicities - A4B2C_cF56_216_5e_e_ac:S-V-Zn, expected V2ZnS10 to be V2ZnS4" +mp-1390164,V2ZnS4,-6.2634797029,-1.1244289575,0.087132154,0.087132154,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:S-V-Zn,14.0,A4B2C_cF56_227_e_c_b:S-V-Zn +mp-6059,Cs2KYF6,-5.673862412,-3.5902075511,0.0,-0.0348336247,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Y +mp-1112240,CsK2YF6,-5.548599359,-3.4434448406,0.148563318,0.148563318,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Y +mp-699173,CsHIF7,-4.143964063,-2.229779309,0.0,-0.0226612999,GGA,P-1,AB7CD_aP20_2_i_7i_i_i:Cs-F-H-I,20.0,AB7CD_aP20_2_i_7i_i_i:Cs-F-H-I +mp-728225,K14W6N17,-6.9576286405,-0.6058778199,0.0224848551,0.0224848551,GGA,Pbcm,A14B17C6_oP148_57_2d6e_3d7e_2d2e:K-N-W,148.0,A14B17C6_oP148_57_2d6e_3d7e_2d2e:K-N-W +mp-1246724,K6WN4,-5.0438374864,-0.2287007944,0.1826516221,0.1826516221,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:K-N-W,22.0,A6B4C_tP22_137_df_g_a:K-N-W +mp-569918,K13Na2W7N19,-7.1337373944,-0.641528807,0.0062584716,0.0062584716,GGA,P-1,A13B19C2D7_aP82_2_13i_19i_bdi_7i:K-N-Na-W,82.0,"Invalid WP multiplicities - A13B19C2D7_aP82_2_24i_38i_bdi_14i:K-N-Na-W, expected K12NaW7N19 to be K13Na2W7N19" +mp-1030950,K15W7N19,-7.1321062146,-0.6502452539,0.0,-0.0368097086,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:K-N-W,82.0,A15B19C7_aP82_2_bd14i_19i_7i:K-N-W +mp-1029938,K3W2N5,-7.760013021,-0.6670198284000001,0.0,-0.0287495661,GGA,I4_1,A3B5C2_tI80_80_2a2b_5b_2b:K-N-W,40.0,A3B5C2_tI80_80_2a2b_5b_2b:K-N-W +mp-1223632,KNa2WN3,-6.5651419023,-0.6047041111,0.0,-0.0073137248,GGA,Pca2_1,AB3C2D_oP56_29_2a_6a_4a_2a:K-N-Na-W,56.0,"Invalid WP multiplicities - AB3C2D_oP56_29_2a_8a_5a_2a:K-N-Na-W, expected K2Na5(WN4)2 to be KNa2WN3" +mp-1233479,MgI8(OF2)12,-4.1990431431,-1.5629771297,0.084667133,0.084667133,GGA,P1,A24B8CD12_aP45_1_24a_8a_a_12a:F-I-Mg-O,45.0,A24B8CD12_aP45_1_24a_8a_a_12a:F-I-Mg-O +mp-1233753,MgI8(OF2)12,-4.2153024531,-1.5792364397,0.068407823,0.068407823,GGA,P1,A24B8CD12_aP45_1_24a_8a_a_12a:F-I-Mg-O,45.0,A24B8CD12_aP45_1_24a_8a_a_12a:F-I-Mg-O +mp-1223479,Li24(I2N)5,-3.5035361995,-0.8822467912,0.0887944691,0.0887944691,GGA,I-42m,A10B24C5_tI78_121_cdei_2i2j_ai:I-Li-N,39.0,"Invalid WP multiplicities - A10B24C5_tI78_121_2cd2ei_8i9j_ai:I-Li-N, expected Li104I14N5 to be Li24(I2N)5" +mp-1192048,LiIN4,-5.73560116,0.3857769928,0.876199715,0.876199715,GGA,Pnma,ABC4_oP24_62_c_c_2cd:I-Li-N,24.0,ABC4_oP24_62_c_c_2cd:I-Li-N +mp-1103298,LiH3IN,-4.4615349425,-0.8120412297,0.0,-0.0477044333,GGA,P2_1,A3BCD_mP12_4_3a_a_a_a:H-I-Li-N,12.0,A3BCD_mP12_4_3a_a_a_a:H-I-Li-N +mp-675488,Li6I3N,-3.464786493,-1.0437733755,0.0132816755,0.0132816755,GGA,Cm,A3B6C_mC20_8_ab_4ab_a:I-Li-N,10.0,"Invalid WP multiplicities - A3B6C_mC20_8_a2b_4a2b_a:I-Li-N, expected Li8I5N to be Li6I3N" +mp-1223173,Li3H4IN2,-4.4738066178,-0.7294037198000001,0.0338870552,0.0338870552,GGA,Cmc2_1,A4BC3D2_oC80_36_2a3b_2a_2a2b_2ab:H-I-Li-N,40.0,"Invalid WP multiplicities - A4BC3D2_oC80_36_4a5b_2a_4a6b_3a3b:H-I-Li-N, expected Li16H14I2N9 to be Li3H4IN2" +mp-675941,Li7IN2,-3.817344232,-0.6664626053,0.0,-0.011499093,GGA,Cm,AB7C2_mC40_8_2a_6a4b_2ab:I-Li-N,20.0,AB7C2_mC40_8_2a_6a4b_2ab:I-Li-N +mp-504574,Li7IN2,-3.035878085,0.1150035417,0.781466147,0.7699670540000001,GGA,Fd-3m,AB7C2_cF80_227_a_bf_c:I-Li-N,20.0,AB7C2_cF80_227_a_bf_c:I-Li-N +mp-558895,Cs2KVF6,-5.516106689,-3.1707083324,0.0,-0.0876516027,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-V,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-V +mp-1112254,CsK2VF6,-5.332294091,-2.9653960769000003,0.1760257989,0.1760257989,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-V,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-V +mp-23126,KAs4IO6,-5.9128696342,-1.6711720355000002,0.0,-0.0286657946,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-I-K-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-I-K-O +mp-569810,Sr2BIN2,-6.1943883546,-1.4935992083,0.0,-0.0521281822,GGA,P2_1/m,ABC2D2_mP24_11_2e_2e_4e_4e:B-I-N-Sr,24.0,"Invalid WP multiplicities - ABC2D2_mP24_11_4e_4e_7e_8e:B-I-N-Sr, expected Sr8B4I4N7 to be Sr2BIN2" +mp-555840,K2PO4,-6.2532463721,-2.335981337,0.0900194337,0.0900194337,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:K-O-P,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2e_12e_e:K-O-P, expected K2PO12 to be K2PO4" +mp-675976,KPO3,-5.470951085,-1.1981975675,1.49286222,1.3539220252,GGA,P-1,AB3C_aP10_2_i_3i_i:K-O-P,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_5i_i:K-O-P, expected KPO5 to be KPO3" +mp-1223439,KPO3,-6.717871759,-2.4451182415,0.245941546,0.1070013512,GGA,C2/m,AB3C_mC20_12_i_ij_i:K-O-P,10.0,AB3C_mC20_12_i_ij_i:K-O-P +mp-5039,KPO3,-6.963813305,-2.6910597875,0.0,-0.1389401948,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:K-O-P,40.0,AB3C_mP40_14_2e_6e_2e:K-O-P +mp-557880,KPO3,-6.9601825877,-2.6874290702,0.0036307173,-0.1353094774,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:K-O-P,60.0,"Invalid WP multiplicities - AB3C_mP60_14_10e_34e_9e:K-O-P, expected K10P9O34 to be KPO3" +mp-557985,KPO3,-6.962771769,-2.6900182515,0.001041536,-0.1378986588,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:K-O-P,40.0,"Invalid WP multiplicities - AB3C_mP40_14_6e_21e_6e:K-O-P, expected K2P2O7 to be KPO3" +mp-13981,KPO3,-6.9512228965,-2.678469379,0.0125904085,-0.1263497863,GGA,Pnma,AB3C_oP20_62_c_cd_c:K-O-P,20.0,AB3C_oP20_62_c_cd_c:K-O-P +mp-1196581,KPO3,-6.9539228604000005,-2.6811693429,0.0098904446,-0.1290497501,GGA,Pa-3,AB3C_cP240_205_ab2cd_6d_2d:K-O-P,240.0,AB3C_cP240_205_ab2cd_6d_2d:K-O-P +mp-560292,KEu(PO3)4,-7.9250356169,-2.7927647665,0.0248286228,0.0248286228,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Eu-K-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_22a_5a:Eu-K-O-P, expected KEuP5O22 to be KEu(PO3)4" +mp-1019737,KEu(PO3)4,-7.9231415364,-2.7908706859,0.0267227033,0.0267227033,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Eu-K-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Eu-K-O-P +mp-1211653,K3PO5,-5.8170161994,-2.0972447657,0.1615031007,0.1615031007,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:K-O-P,18.0,A3B5C_tI36_140_ah_cl_b:K-O-P +mp-18045,KEuPO4,-8.2377910354,-3.0138684498,0.0,-0.0108260946,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Eu-K-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Eu-K-O-P +mp-1225883,K3P3O10,-5.5368869953,-1.2220125282,1.3008560226,1.3008560226,GGA,P2_1/c,A3B10C3_mP64_14_3e_10e_3e:K-O-P,64.0,A3B10C3_mP64_14_3e_10e_3e:K-O-P +mp-1202659,K(PO4)2,-6.3999706209,-1.7171966527,0.2823023901,0.2823023901,GGA,P2_1/c,AB8C2_mP44_14_e_8e_2e:K-O-P,44.0,AB8C2_mP44_14_e_8e_2e:K-O-P +mp-728897,KPO4,-6.4171806767,-2.0321046269,0.210445196,0.210445196,GGA,P2_1,AB4C_mP48_4_4a_16a_4a:K-O-P,48.0,AB4C_mP48_4_4a_16a_4a:K-O-P +mp-1095608,KPO4,-6.40652875,-2.0214527002,0.2210971227,0.2210971227,GGA,P2_1/m,AB4C_mP12_11_e_2ef_e:K-O-P,12.0,AB4C_mP12_11_e_2ef_e:K-O-P +mp-1211439,KPO4,-6.4122643679,-2.0271883181,0.2153615048,0.2153615048,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:K-O-P,24.0,AB4C_mP24_14_e_4e_e:K-O-P +mp-725218,KPO4,-6.4319248525,-2.0468488027,0.1957010202,0.1957010202,GGA,I-42d,AB4C_tI24_122_a_e_b:K-O-P,12.0,AB4C_tI24_122_a_e_b:K-O-P +mp-1102824,KPO4,-6.2836227625,-1.8985467127,0.3440031102,0.3440031102,GGA,I-42d,AB4C_tI24_122_a_e_b:K-O-P,12.0,AB4C_tI24_122_a_e_b:K-O-P +mp-1102561,KPO4,-6.4324437592,-2.0473677094,0.1951821135,0.1951821135,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:K-O-P,12.0,AB4C_tI24_141_a_h_b:K-O-P +mp-1019796,K4P2O7,-6.4506948131,-2.6126162146,0.0,-0.0138446965,GGA,P6_3/mmc,A4B7C2_hP26_194_abf_ck_f:K-O-P,26.0,A4B7C2_hP26_194_abf_ck_f:K-O-P +mp-1194562,K4P4O5,-5.7026375769,-1.7927722407000002,0.196883396,0.196883396,GGA,P2_1,A4B5C4_mP26_4_4a_5a_4a:K-O-P,26.0,A4B5C4_mP26_4_4a_5a_4a:K-O-P +mp-557753,K3PO4,-6.1074981238,-2.5410913497000003,0.0,-0.1842876781,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:K-O-P,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_2c3d_7c4d_c:K-O-P, expected K8PO15 to be K3PO4" +mp-1211925,K4P4O15,-6.4878734259,-2.1272153179,0.2128366713,0.2128366713,GGA,C2/c,A4B15C4_mC92_15_2f_e7f_2f:K-O-P,46.0,A4B15C4_mC92_15_2f_e7f_2f:K-O-P +mp-17089,K3Eu(PO4)2,-7.4082498743,-2.837656064,0.0,-0.0501672054,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Eu-K-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_11_e_6e_5e2f_2e:Eu-K-O-P, expected K6EuP2O9 to be K3Eu(PO4)2" +mp-1019801,K8PO3,-3.3031470933,-0.8751004086,0.4136104848,0.4136104848,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:K-O-P,12.0,A8B3C_cP12_221_g_c_a:K-O-P +mp-1190839,YMo2O7F,-8.4970486905,-2.615587665,0.0,-0.0014033867,GGA+U,P2/c,AB2C7D_mP22_13_f_g_e3g_e:F-Mo-O-Y,22.0,AB2C7D_mP22_13_f_g_e3g_e:F-Mo-O-Y +mp-1041695,YMo3F15,-6.4758749139,-2.9140009163,0.1412462366,0.1412462366,GGA+U,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Mo-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Mo-Y, expected YMo6F54 to be YMo3F15" +mp-555913,YMoO4F,-8.5552924825,-2.9823846202,0.0253185761,0.0253185761,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Y,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_12e_e:F-Mo-O-Y, expected YMoO12F to be YMoO4F" +mp-558206,K9U6BiO24,-8.0974785107,-3.0899017912,2.6266568149,2.6266568149,GGA,Pm-3m,AB9C24D6_cP40_221_a_bg_efh_cd:Bi-K-O-U,40.0,"Invalid WP multiplicities - AB9C24D6_cP40_221_a_bg_5e6f9h_cd:Bi-K-O-U, expected K9U6BiO174 to be K9U6BiO24" +mp-14469,KHg(PO3)3,-6.8298430248,-2.3888297939,0.0,-0.0130617374,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Hg-K-O-P,56.0,ABC9D3_oP56_19_a_a_9a_3a:Hg-K-O-P +mp-5860,K2HgO2,-3.832401744,-1.3488306077,0.0,-0.311966297,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Hg-K-O,5.0,AB2C2_tI10_139_a_e_e:Hg-K-O +mp-674322,Co(IO3)2,-5.1773420364,-0.7623217294,0.2219265147,0.1354872038,GGA+U,P1,AB2C6_aP36_1_4a_8a_24a:Co-I-O,36.0,"Invalid WP multiplicities - AB2C6_mP18_4_a_4a_18a:Co-I-O, expected Co(I2O9)2 to be Co(IO3)2" +mp-572672,Co(IO3)2,-5.3992685511000005,-0.9842482442,0.0,-0.0864393109,GGA+U,P2_1,AB2C6_mP18_4_a_2a_6a:Co-I-O,36.0,AB2C6_mP18_4_a_2a_6a:Co-I-O +mp-1181620,Co(IO3)2,-5.0605828422,-0.6455625353000001,0.3386857089,0.252246398,GGA+U,Cm,AB2C6_mC18_8_a_b_2a2b:Co-I-O,9.0,AB2C6_mC18_8_a_b_2a2b:Co-I-O +mp-863432,Co(IO3)2,-5.3376481178,-0.9226278108,0.0616204333,-0.0248188776,GGA+U,P2_1/c,AB2C6_mP36_14_e_2e_6e:Co-I-O,36.0,"Invalid WP multiplicities - AB2C6_mP36_14_e_3e_21e:Co-I-O, expected Co(IO7)3 to be Co(IO3)2" +mp-774228,Co(IO3)2,-5.3635951889,-0.9485748819,0.0356733622,-0.0507659487,GGA+U,P2_12_12_1,AB2C6_oP36_19_a_2a_6a:Co-I-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_19_a_5a_21a:Co-I-O, expected CoI5O21 to be Co(IO3)2" +mp-774233,Co(IO3)2,-5.3537872156,-0.9387669086,0.0454813356,-0.0409579754,GGA+U,Pbcn,AB2C6_oP36_60_c_d_3d:Co-I-O,36.0,"Invalid WP multiplicities - AB2C6_oP36_60_c_d_9d:Co-I-O, expected Co(IO9)2 to be Co(IO3)2" +mp-758160,Co(IO3)2,-5.3914511542,-0.9764308472,0.0078173969,-0.078621914,GGA+U,P3,AB2C6_hP36_143_ad_bc2d_8d:Co-I-O,36.0,"Invalid WP multiplicities - AB2C6_hP36_143_a2d_bc4d_18d:Co-I-O, expected Co7(I7O27)2 to be Co(IO3)2" +mp-1181661,Co(IO3)2,-5.0535222378,-0.6385019308000001,0.3457463133,0.2593070024,GGA+U,P-31m,AB2C6_hP9_162_a_d_k:Co-I-O,9.0,AB2C6_hP9_162_a_d_k:Co-I-O +mp-1213806,Co(IO5)2,-4.8774546027,-0.2988440175,0.3825586131,0.3825586131,GGA+U,P2_1/c,AB2C10_mP26_14_a_e_5e:Co-I-O,26.0,AB2C10_mP26_14_a_e_5e:Co-I-O +mp-1191448,Co(IO4)2,-5.1090987341,-0.5974114445,0.2078825734,0.2078825734,GGA+U,P-1,AB2C8_aP22_2_ab_2i_8i:Co-I-O,22.0,AB2C8_aP22_2_ab_2i_8i:Co-I-O +mp-1182301,Co3B7IO13,-7.7542716677,-2.1767293603,0.2689303624,0.2689303624,GGA+U,Pca2_1,A7B3CD13_oP96_29_7a_3a_a_13a:B-Co-I-O,96.0,"Invalid WP multiplicities - A7B3CD13_oP96_29_26a_8a_a_49a:B-Co-I-O, expected Co8B26IO49 to be Co3B7IO13" +mp-1182660,Co3B7IO13,-7.7326816294,-2.155139322,0.2905204007,0.2905204007,GGA+U,Pca2_1,A7B3CD13_oP96_29_7a_3a_a_13a:B-Co-I-O,96.0,"Invalid WP multiplicities - A7B3CD13_oP96_29_26a_8a_a_49a:B-Co-I-O, expected Co8B26IO49 to be Co3B7IO13" +mp-1202361,Co3B7IO13,-7.9514007169,-2.3738584095,0.0718013132,0.0718013132,GGA+U,Pca2_1,A7B3CD13_oP96_29_7a_3a_a_13a:B-Co-I-O,96.0,A7B3CD13_oP96_29_7a_3a_a_13a:B-Co-I-O +mp-23628,Co3B7IO13,-7.9642246842,-2.3866823768,0.0589773459,0.0589773459,GGA+U,F-43c,A7B3CD13_cF192_219_ce_d_a_bh:B-Co-I-O,48.0,"Invalid WP multiplicities - A7B3CD13_cF192_219_ce_d_a_2b3h:B-Co-I-O, expected Co3B7IO38 to be Co3B7IO13" +mp-1210609,P2SN6,-7.1124327728,0.1077921639,0.4467793417,0.4467793417,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:N-P-S,36.0,A6B2C_mP36_14_6e_2e_e:N-P-S +mp-1020739,PSN9,-7.5452964773,0.1436314044,0.2941052317,0.2941052317,GGA,P2_1/c,A9BC_mP44_14_9e_e_e:N-P-S,44.0,A9BC_mP44_14_9e_e_e:N-P-S +mp-8921,Cd4P6SN12,-6.7097345817,-0.607744884,0.0,-0.1668007663,GGA,I-43m,A4B12C6D_cI46_217_c_g_d_a:Cd-N-P-S,23.0,A4B12C6D_cI46_217_c_g_d_a:Cd-N-P-S +mp-1196424,Cd(PN2)2,-6.8287527797,-0.3865421407,0.0122214308,0.0122214308,GGA,P6_322,AB4C2_hP168_182_afgi_2g6h4i_4i:Cd-N-P,168.0,AB4C2_hP168_182_afgi_2g6h4i_4i:Cd-N-P +mp-1216139,Y4C4I3Br,-6.7986826642,-1.0692098472,0.0036428937,0.0036428937,GGA,Cm,AB4C3D4_mC24_8_a_4a_3a_4a:Br-C-I-Y,12.0,AB4C3D4_mC24_8_a_4a_3a_4a:Br-C-I-Y +mp-1221849,Mn4P6SN12,-7.1103515943,0.4245295002,0.9648742314,0.9648742314,GGA,I-42m,A4B12C6D_tI46_121_i_ij_ci_a:Mn-N-P-S,23.0,"Invalid WP multiplicities - A4B12C6D_tI46_121_i_4i4j_ci_a:Mn-N-P-S, expected Mn4P6SN48 to be Mn4P6SN12" +mp-1246527,Mn4S3N2,-7.8407670044,-0.5373891579,0.1499292517,0.1499292517,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Mn-N-S,9.0,A4B2C3_mC18_12_2i_i_ai:Mn-N-S +mp-558842,Sm7BP2O17,-8.6002726056,-3.613983427,0.0051467928,0.0051467928,GGA,P2_1/c,AB17C2D7_mP108_14_e_17e_2e_7e:B-O-P-Sm,108.0,"Invalid WP multiplicities - AB17C2D7_mP108_14_e_64e_6e_22e:B-O-P-Sm, expected Sm22B(P3O32)2 to be Sm7BP2O17" +mp-1195145,K2U3MnO11,-8.9799197753,-3.1169421847,0.1204652291,0.1204652291,GGA+U,R-3c,A2BC11D3_hR102_167_c_b_cef_e:K-Mn-O-U,34.0,A2BC11D3_hR102_167_c_b_cef_e:K-Mn-O-U +mp-12324,CsVP2S7,-5.4506463582,-0.9269134015,0.0,-0.0036255101,GGA,C2,AB2C7D_mC22_5_b_c_a3c_a:Cs-P-S-V,11.0,AB2C7D_mC22_5_b_c_a3c_a:Cs-P-S-V +mp-1216601,V3(PS3)4,-5.9356890984,-0.7492508543,0.0697873785,0.0697873785,GGA,C2,A4B12C3_mC38_5_2c_6c_2ab:P-S-V,19.0,"Invalid WP multiplicities - A4B12C3_mC38_5_3c_10c_2ab:P-S-V, expected V3(P3S10)2 to be V3(PS3)4" +mp-620190,V2P4S13,-5.6508781513,-0.7248323389,0.008575997,0.008575997,GGA,P-1,A4B13C2_aP38_2_4i_13i_2i:P-S-V,38.0,"Invalid WP multiplicities - A4B13C2_aP38_2_7i_25i_4i:P-S-V, expected V4P7S25 to be V2P4S13" +mp-1078971,VPS3,-6.160961794,-0.7796501585000001,0.1048923696,0.1048923696,GGA,C2/m,AB3C_mC20_12_i_ij_g:P-S-V,10.0,AB3C_mC20_12_i_ij_g:P-S-V +mp-648414,V2PS10,-5.8499917774,-0.8541753685,0.0,-0.0037761032,GGA,P2_1/c,AB10C2_mP104_14_2e_20e_4e:P-S-V,104.0,"Invalid WP multiplicities - AB10C2_mP104_14_6e_77e_12e:P-S-V, expected V12P6S77 to be V2PS10" +mp-1217488,Te2W2N2O,-7.1206754029,0.5682604268,1.3492151307,1.3492151307,GGA+U,Imm2,A2BC2D2_oI14_44_c_a_d_c:N-O-Te-W,7.0,A2BC2D2_oI14_44_c_a_d_c:N-O-Te-W +mp-1217538,Te2W2N2O15,-6.1888917286,-0.3281206445,1.176104453,1.176104453,GGA+U,Imm2,A2B15C2D2_oI42_44_c_2a3bd2e_d_c:N-O-Te-W,21.0,A2B15C2D2_oI42_44_c_2a3bd2e_d_c:N-O-Te-W +mp-1193353,Te2W(NO4)2,-6.6504345208,-0.8434159395,0.600526902,0.600526902,GGA+U,P2_1,A2B8C2D_mP26_4_2a_8a_2a_a:N-O-Te-W,26.0,A2B8C2D_mP26_4_2a_8a_2a_a:N-O-Te-W +mp-1193587,Te2W(NO4)2,-6.6497225346,-0.8427039533,0.6012388882,0.6012388882,GGA+U,P2_1,A2B8C2D_mP26_4_2a_8a_2a_a:N-O-Te-W,26.0,A2B8C2D_mP26_4_2a_8a_2a_a:N-O-Te-W +mp-1246011,Te3(W2N)2,-8.6756909906,-0.0161989406,0.4170747428,0.4170747428,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-Te-W,36.0,A2B3C4_oP36_62_d_cd_2cd:N-Te-W +mp-683975,K6Yb3(PS4)5,-4.768031275,-1.2069510282,0.0354274752,0.0354274752,GGA,C2/c,A6B5C20D3_mC272_15_6f_5f_20f_3f:K-P-S-Yb,,"Invalid WP multiplicities - A6B5C20D3_mC272_15_21f_16f_79f_11f:K-P-S-Yb, expected K21Yb11P16S79 to be K6Yb3(PS4)5" +mp-646669,P28Pb5I2,-5.0386963959,-0.0934838749,0.0,-0.0081002066,GGA,P2_1/c,A2B28C5_mP140_14_2e_28e_5e:I-P-Pb,140.0,"Invalid WP multiplicities - A2B28C5_mP140_14_4e_108e_18e:I-P-Pb, expected P54Pb9I2 to be P28Pb5I2" +mp-1195929,P3Pb5IO12,-6.7762317583,-2.2220996748,0.016321553,0.016321553,GGA,P6_3/m,AB12C3D5_hP42_176_b_2hi_h_fh:I-O-P-Pb,42.0,AB12C3D5_hP42_176_b_2hi_h_fh:I-O-P-Pb +mp-1200124,PPb2IO4,-6.3420370416,-2.0796973114,0.0,-0.0025847895,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:I-O-P-Pb,32.0,AB4CD2_mP32_14_e_4e_e_2e:I-O-P-Pb +mp-1198481,KAsW2O9,-7.9612421273,-2.0992439571,0.0,-0.0030465962,GGA+U,P2_12_12_1,ABC9D2_oP52_19_a_a_9a_2a:As-K-O-W,52.0,ABC9D2_oP52_19_a_a_9a_2a:As-K-O-W +mp-1182713,K7As2W8O39,-6.8221470474,-1.2207732792,0.7232883126,0.7232883126,GGA+U,P2_1/m,A2B7C39D8_mP112_11_2e_e3f_5e17f_4f:As-K-O-W,112.0,A2B7C39D8_mP112_11_2e_e3f_5e17f_4f:As-K-O-W +mp-771137,VCoO4,-7.8205364758,-1.8240400242,0.0407282417,0.0407282417,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Co-O-V,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_2fg_c:Co-O-V, expected VCoO6 to be VCoO4" +mp-756413,VCoO4,-7.7574030825,-1.7609066308,0.103861635,0.103861635,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Co-O-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_3h2i_e:Co-O-V, expected VCoO10 to be VCoO4" +mp-1194927,VCdCoO5,-6.979463775,-1.7483941273,0.0706658412,0.0706658412,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:Cd-Co-O-V,32.0,ABC5D_oP32_62_c_a_3cd_c:Cd-Co-O-V +mp-1179434,V5CoO23,-6.4960610569,-0.7615200740000001,0.7322291317,0.7322291317,GGA+U,P-1,AB23C5_aP58_2_i_23i_5i:Co-O-V,58.0,AB23C5_aP58_2_i_23i_5i:Co-O-V +mp-1198109,V5CoO23,-6.3812415253,-0.6467005425,0.8470486632,0.8470486632,GGA+U,P-1,AB23C5_aP58_2_i_23i_5i:Co-O-V,58.0,AB23C5_aP58_2_i_23i_5i:Co-O-V +mp-1336251,V2CoO7,-7.7831538047,-1.7928587134,0.1345868548,0.1345868548,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-V,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_2e_17e_7e:Co-O-V, expected V7Co2O17 to be V2CoO7" +mp-1277045,VCoO3,-8.135140591,-1.9286825912,0.0784661517,0.0784661517,GGA+U,P1,AB3C_aP10_1_2a_6a_2a:Co-O-V,10.0,AB3C_aP10_1_2a_6a_2a:Co-O-V +mp-1206118,VCoO3,-8.212322635,-2.0058646353,0.0012841077,0.0012841077,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Co-O-V,10.0,AB3C_aP10_2_i_3i_i:Co-O-V +mp-1187746,VCoO3,-7.693387334,-1.4869293343,0.5202194087,0.5202194087,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Co-O-V,5.0,AB3C_cP5_221_a_c_b:Co-O-V +mp-755979,V2CoO6,-8.1377958494,-2.0315444936,0.0942641394,0.0798629499,GGA+U,P1,AB6C2_aP9_1_a_6a_2a:Co-O-V,18.0,"Invalid WP multiplicities - AB6C2_aP9_1_a_6a_4a:Co-O-V, expected V4CoO6 to be V2CoO6" +mp-1387639,V2CoO6,-1.86942139,4.2368299658,6.3626385989,6.3482374093,GGA+U,P1,AB6C2_aP9_1_a_6a_2a:Co-O-V,9.0,AB6C2_aP9_1_a_6a_2a:Co-O-V +mp-572871,V2CoO6,-8.2112098315,-2.1049584756,0.0208501574,0.0064489678,GGA+U,P-1,AB6C2_aP27_2_ai_9i_3i:Co-O-V,27.0,"Invalid WP multiplicities - AB6C2_aP27_2_a2i_18i_5i:Co-O-V, expected V10Co5O36 to be V2CoO6" +mp-1178823,V2CoO6,-8.2030526222,-2.0968012664,0.0290073667,0.0146061771,GGA+U,C2,AB6C2_mC18_5_a_3c_c:Co-O-V,9.0,"Invalid WP multiplicities - AB6C2_mC18_12_a_4i_i:Co-O-V, expected V2CoO8 to be V2CoO6" +mp-19311,V2CoO6,-8.2231341072,-2.1168827514,0.0089258817,-0.0054753079,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Co-O-V,18.0,AB6C2_mC18_12_a_3i_i:Co-O-V +mp-1078719,V2CoO6,-7.9878361467,-1.8815847908,0.2442238422,0.2298226526,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Co-O-V,9.0,AB6C2_mC18_12_a_3i_i:Co-O-V +mp-755622,V2CoO6,-8.2320599889,-2.1258086331,0.0,-0.0144011896,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Co-O-V,18.0,AB6C2_mC36_15_e_3f_f:Co-O-V +mp-867562,V3Co5O16,-7.4867071,-1.5725268265,0.096461164,0.096461164,GGA+U,Cm,A5B16C3_mC48_8_3ab_8a4b_ab:Co-O-V,24.0,"Invalid WP multiplicities - A5B16C3_mC48_8_3a2b_8a6b_ab:Co-O-V, expected V3Co7O20 to be V3Co5O16" +mp-758452,V2CoO4,-8.6657151907,-2.2281602221,0.0,-0.0500760995,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Co-O-V,14.0,AB4C2_cF56_227_a_e_d:Co-O-V +mp-1101465,VCo3O8,-7.17455946,-1.3426953646,0.1305123504,0.1305123504,GGA+U,Cc,A3B8C_mC48_9_3a_8a_a:Co-O-V,24.0,"Invalid WP multiplicities - A3B8C_mC48_9_5a_14a_a:Co-O-V, expected VCo5O14 to be VCo3O8" +mp-752604,VCo3O8,-7.2126854571,-1.3808213617,0.0923863533,0.0923863533,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-V,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-V, expected V(CoO10)3 to be VCo3O8" +mp-27156,V2Co2O7,-8.0897353184,-1.9978017994,0.0,-0.0199163418,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Co-O-V,44.0,A2B7C2_mP44_14_2e_7e_2e:Co-O-V +mp-530941,V(CoO2)2,-7.9130714899,-1.7577434177,0.0430819003,0.0430819003,GGA+U,Cm,A2B4C_mC168_8_12a6b_24a12b_12a:Co-O-V,84.0,"Invalid WP multiplicities - A2B4C_mC168_8_12a7b_24a24b_12a:Co-O-V, expected V6Co13O36 to be V(CoO2)2" +mp-753738,V3CoO8,-8.337478,-2.1763491921,0.0382882563,0.0382882563,GGA+U,P1,AB8C3_aP12_1_a_8a_3a:Co-O-V,12.0,AB8C3_aP12_1_a_8a_3a:Co-O-V +mp-861494,V3CoO8,-8.2956360685,-2.1345072606,0.0801301877,0.0801301877,GGA+U,P2_1,AB8C3_mP48_4_2a_16a_6a:Co-O-V,48.0,"Invalid WP multiplicities - AB8C3_mP48_4_2a_30a_10a:Co-O-V, expected V5CoO15 to be V3CoO8" +mp-755017,V3CoO8,-8.3312542583,-2.1701254504,0.0445119979,0.0445119979,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Co-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Co-O-V +mp-861528,V3CoO8,-8.3732502004,-2.2121213925,0.0025160558,0.0025160558,GGA+U,Iba2,AB8C3_oI96_45_c_8c_3c:Co-O-V,48.0,"Invalid WP multiplicities - AB8C3_oI96_45_c_19c_5c:Co-O-V, expected V5CoO19 to be V3CoO8" +mp-1194802,V2CoO8,-7.4091455291,-1.513723745,0.2384994988,0.2384994988,GGA+U,Pnma,AB8C2_oP44_62_c_2c3d_d:Co-O-V,44.0,AB8C2_oP44_62_c_2c3d_d:Co-O-V +mp-540833,V2Co3O8,-7.9574982758,-1.8754771054,0.0126654565,0.0126654565,GGA+U,Cmce,A3B8C2_oC52_64_ae_2fg_f:Co-O-V,26.0,"Invalid WP multiplicities - A3B8C2_oC52_64_ae_7f6g_f:Co-O-V, expected V2Co3O38 to be V2Co3O8" +mp-1216713,V(CoSe2)2,-6.0084215629,-0.6821090528,0.0432626105,0.0432626105,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Co-Se-V,,A2B4C_mC14_8_2a_4a_a:Co-Se-V +mp-1025322,V(CoSe2)2,-6.01416739,-0.6878548799,0.0375167833,0.0375167833,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Co-Se-V,7.0,A2B4C_mC14_12_i_2i_a:Co-Se-V +mp-1199860,V2Co2Se2O11,-7.2414448615,-1.7243950668,0.0018345131,0.0018345131,GGA+U,P2_1/m,A2B11C2D2_mP34_11_f_3e4f_2e_f:Co-O-Se-V,34.0,A2B11C2D2_mP34_11_f_3e4f_2e_f:Co-O-Se-V +mp-1078200,V2CoSe4,-6.4525387043,-0.8439992978,0.0241232046,0.0241232046,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Co-Se-V,7.0,AB4C2_mC14_12_a_2i_i:Co-Se-V +mp-1223315,KY(NbCl3)6,-5.8091850362,-1.9069404138,0.0,-0.0069816868,GGA,R3,A18BC6D_hR78_146_6b_a_2b_a:Cl-K-Nb-Y,26.0,A18BC6D_hR78_146_6b_a_2b_a:Cl-K-Nb-Y +mp-6253,KLiBeF4,-5.4153965607,-3.3575893395,0.0,-0.0117695051,GGA,P6_3,AB4CD_hP14_173_b_bc_a_b:Be-F-K-Li,14.0,"Invalid WP multiplicities - AB4CD_hP14_173_b_b2c_a_b:Be-F-K-Li, expected KLiBeF7 to be KLiBeF4" +mp-1208154,Tl2VF6,-5.4011468567,-2.592472838,0.0,-0.0381259519,GGA+U,Fm-3m,A6B2C_cF36_225_e_c_a:F-Tl-V,9.0,A6B2C_cF36_225_e_c_a:F-Tl-V +mp-1205535,Tl3VF6,-5.18501322,-2.4209422885,0.0479642313,0.0479642313,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-Tl-V,10.0,A6B3C_cF40_225_e_ac_b:F-Tl-V +mp-557533,Cs2TlVF6,-5.424019177,-2.9533964004,0.0,-0.064162092,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Tl-V,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Tl-V +mp-734811,Rb2Cu2I4O,-3.1000747864,-0.7667819424000001,0.3455925439,0.3455925439,GGA,P2_12_12_1,A2B4CD2_oP36_19_2a_4a_a_2a:Cu-I-O-Rb,36.0,A2B4CD2_oP36_19_2a_4a_a_2a:Cu-I-O-Rb +mp-1113092,Cs2KAlF6,-5.241488586,-3.4299232534,0.0,-0.0301624695,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-F-K +mp-1112319,CsK2AlF6,-5.159612419,-3.3265474289,0.1025127977,0.1025127977,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cs-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cs-F-K +mp-1191316,Y3BeCrS7,-7.0110760471,-1.8654908185,0.0446408708,0.0446408708,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Be-Cr-S-Y,24.0,ABC7D3_hP24_173_b_a_b2c_c:Be-Cr-S-Y +mp-1112207,K2HgAsF6,-4.219552938,-2.3543058911,0.1356686986,0.1356686986,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-F-Hg-K +mp-558638,SmMoO4F,-8.3049769582,-2.98176695,0.0,-0.0080274608,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Sm,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_12e_e:F-Mo-O-Sm, expected SmMoO12F to be SmMoO4F" +mp-1202432,K3Mg18Pb11,-2.365592405,-0.0851125453,0.0023758241,0.0023758241,GGA,P6_3/m,A3B18C11_hP64_176_cf_2h2i_ehi:K-Mg-Pb,64.0,A3B18C11_hP64_176_cf_2h2i_ehi:K-Mg-Pb +mp-1233338,K12Mg(Pb2O5)2,-4.3785031315000005,-1.4435941386,0.1086355941,0.1086355941,GGA,P1,A12BC10D4_aP27_1_12a_a_10a_4a:K-Mg-O-Pb,27.0,A12BC10D4_aP27_1_12a_a_10a_4a:K-Mg-O-Pb +mp-1234108,K12Mg(Pb2O5)2,-4.3439554207,-1.4090464279,0.1431833049,0.1431833049,GGA,P1,A12BC10D4_aP27_1_12a_a_10a_4a:K-Mg-O-Pb,27.0,A12BC10D4_aP27_1_12a_a_10a_4a:K-Mg-O-Pb +mp-1195433,K4Ge(PSe3)4,-4.2594290733,-0.7990113875,0.0,-0.0015914736,GGA,Pca2_1,AB4C4D12_oP84_29_a_4a_4a_12a:Ge-K-P-Se,84.0,AB4C4D12_oP84_29_a_4a_4a_12a:Ge-K-P-Se +mp-1207680,YGeBiO5,-7.6023689616,-2.6444400047,0.0,-0.0294441408,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ge-O-Y,64.0,ABC5D_oP64_61_c_c_5c_c:Bi-Ge-O-Y +mp-573103,Cs2Np(SO5)2,-7.3171318687,-2.4852404506,0.0,-0.1339680989,GGA,P2_1/c,A2BC10D2_mP60_14_2e_e_10e_2e:Cs-Np-O-S,60.0,"Invalid WP multiplicities - A2BC10D2_mP60_14_5e_e_37e_5e:Cs-Np-O-S, expected Cs5NpS5O37 to be Cs2Np(SO5)2" +mp-8137,NpSO,-9.996615615,-2.6529761952,0.0,-0.0402958857,GGA,P4/nmm,ABC_tP6_129_c_a_c:Np-O-S,6.0,ABC_tP6_129_c_a_c:Np-O-S +mp-1196180,Np(SO6)2,-6.9364452183,-1.5643822883,0.170056717,0.170056717,GGA,Pnma,AB12C2_oP60_62_c_2c5d_d:Np-O-S,60.0,AB12C2_oP60_62_c_2c5d_d:Np-O-S +mp-1207029,Np2SO2,-10.80061555,-2.8155382196,0.0,-0.006985386,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Np-O-S,5.0,A2B2C_hP5_164_d_d_a:Np-O-S +mp-1180175,Np2SO10,-8.5577867621,-2.4424870435,0.1030721898,0.0615019253,GGA,P2/c,A2B10C_mP52_13_2g_10g_g:Np-O-S,52.0,A2B10C_mP52_13_2g_10g_g:Np-O-S +mp-1181242,Np2SO10,-8.0228867581,-1.9075870395,0.6379721938,0.5964019293,GGA,P2/c,A2B10C_mP52_13_2g_10g_g:Np-O-S,52.0,A2B10C_mP52_13_2g_10g_g:Np-O-S +mp-1197301,Np2SO10,-8.6608589519,-2.5455592333,0.0,-0.0415702645,GGA,P2_1/c,A2B10C_mP52_14_2e_10e_e:Np-O-S,52.0,A2B10C_mP52_14_2e_10e_e:Np-O-S +mp-1200721,Np2SO9,-8.9253386854,-2.7126547162,0.0,-0.0646585412,GGA,Pnma,A2B9C_oP48_62_2c_5c2d_c:Np-O-S,48.0,A2B9C_oP48_62_2c_5c2d_c:Np-O-S +mp-1196917,B2Mo(PbO2)6,-7.014248184,-1.9742205361,0.0,-0.0091392179,GGA+U,Cmcm,A2BC12D6_oC84_63_e_c_ef2gh_gh:B-Mo-O-Pb,42.0,A2BC12D6_oC84_63_e_c_ef2gh_gh:B-Mo-O-Pb +mp-1227009,Ce4S4Cl2O,-7.0813227814,-2.6338756797,0.037007823,0.037007823,GGA,Cmc2_1,A4B2CD4_oC44_36_2ab_b_a_2ab:Ce-Cl-O-S,22.0,"Invalid WP multiplicities - A4B2CD4_oC44_36_3a2b_b_a_3a2b:Ce-Cl-O-S, expected Ce7S7Cl2O to be Ce4S4Cl2O" +mp-583646,Na2Gd2B2O7,-9.1948102152,-3.13458717,0.0,-0.0225513012,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Gd-Na-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_5e_6e_5e_25e:B-Gd-Na-O, expected Na5Gd6(BO5)5 to be Na2Gd2B2O7" +mp-555444,CeZr6(PO4)9,-8.6996906405,-3.2377712347,0.0,-0.0001967216,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Ce-O-P-Zr,104.0,"Invalid WP multiplicities - AB36C9D6_hP104_165_b_60g_6f5g_2c6d:Ce-O-P-Zr, expected CeZr16(P2O15)24 to be CeZr6(PO4)9" +mp-755698,HfP2O7,-8.707075087,-3.1660135848,0.0159849015,-0.1026764518,GGA,P-1,AB7C2_aP20_2_be_7i_2i:Hf-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_be_13i_3i:Hf-O-P, expected HfP3O13 to be HfP2O7" +mp-768745,HfP2O7,-8.7225686512,-3.181507149,0.0004913373,-0.118170016,GGA,P2_1/c,AB7C2_mP40_14_e_7e_2e:Hf-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_5e:Hf-O-P, expected Hf(PO5)5 to be HfP2O7" +mp-770092,HfP2O7,-8.7230599885,-3.1819984863,0.0,-0.1186613533,GGA,Pa-3,AB7C2_cP40_205_a_bd_c:Hf-O-P,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_2b2d_c:Hf-O-P, expected Hf(PO7)2 to be HfP2O7" +mp-1193511,Hf(PO5)2,-7.4371932458,-2.0332946953,0.414396448,0.414396448,GGA,P2_1,AB10C2_mP26_4_a_10a_2a:Hf-O-P,26.0,AB10C2_mP26_4_a_10a_2a:Hf-O-P +mp-545548,BaHf(PO4)2,-8.541502765,-3.3518128756,0.0,-0.0328201965,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ba-Hf-O-P,12.0,"Invalid WP multiplicities - ABC8D2_mC24_12_a_d_3i2j_i:Ba-Hf-O-P, expected BaHf(PO7)2 to be BaHf(PO4)2" +mp-1202004,HfP2O9,-7.790480416,-2.3484810457,0.3031843596,0.3031843596,GGA,P2_1/c,AB9C2_mP48_14_e_9e_2e:Hf-O-P,48.0,AB9C2_mP48_14_e_9e_2e:Hf-O-P +mp-555344,Hf2P2O9,-9.18842639,-3.3991047381,0.0,-0.0235691556,GGA,C2/m,A2B9C2_mC52_12_2i_5i2j_2i:Hf-O-P,26.0,"Invalid WP multiplicities - A2B9C2_mC52_12_2i_10i7j_4i:Hf-O-P, expected Hf(PO6)2 to be Hf2P2O9" +mp-753794,Hf2P2O9,-9.1805340435,-3.3912123916,0.0078923465,-0.015676809,GGA,Cmce,A2B9C2_oC52_64_f_a2fg_f:Hf-O-P,26.0,"Invalid WP multiplicities - A2B9C2_oC52_64_f_2a3f2g_f:Hf-O-P, expected HfPO8 to be Hf2P2O9" +mp-1443382,ReWO6,-9.0133927294,-2.1280440191,0.0360333845,0.0360333845,GGA+U,P2_1/c,A6BC_mP16_14_3e_a_d:O-Re-W,16.0,A6BC_mP16_14_3e_a_b:O-Re-W +mp-1404693,ReWO6,-9.02409171,-2.1387429997,0.0253344039,0.0253344039,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:O-Re-W,8.0,A6BC_cF32_225_e_a_b:O-Re-W +mp-1780696,Re(WO4)2,-8.8185307273,-1.7335946059,0.3959657024,0.3959657024,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-Re-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-Re-W, expected Re(WO8)2 to be Re(WO4)2" +mp-1394133,Re(WO4)2,-6.1621820536,0.9227540677,3.052314376,3.052314376,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-Re-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-Re-W, expected Re(WO8)2 to be Re(WO4)2" +mp-1041585,Re(WO4)2,-9.0193552773,-1.9344191559,0.1951411524,0.1951411524,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Re-W,22.0,A8BC2_mP22_13_4g_e_g:O-Re-W +mp-2240808,MgRe2(WO6)2,-8.7350112835,-2.160548965,0.1139568971,0.1139568971,GGA+U,P1,AB12C2D2_aP17_1_a_12a_2a_2a:Mg-O-Re-W,17.0,AB12C2D2_aP17_1_a_12a_2a_2a:Mg-O-Re-W +mp-1189974,LiLa(CN2)2,-8.2595988681,-0.928568786,0.0,-0.2822555519,GGA,P2_1/m,A2BCD4_mP16_11_2e_e_e_4e:C-La-Li-N,16.0,A2BCD4_mP16_11_2e_e_e_4e:C-La-Li-N +mp-30057,LiCN,-6.8717266583,-0.3803655636,0.3077016904,0.3077016904,GGA,Pnma,ABC_oP12_62_c_c_c:C-Li-N,12.0,ABC_oP12_62_c_c_c:C-Li-N +mp-9610,Li2CN2,-6.76958092,-0.8256807048,0.0,-0.3694530036,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:C-Li-N,5.0,AB2C2_tI10_139_a_d_e:C-Li-N +mp-31321,La(C2N3)3,-8.6721281947,-0.2135997956,0.0,-0.0259410516,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-La-N,32.0,"Invalid WP multiplicities - A6BC9_oC64_63_2g2h_c_cfg2h:C-La-N, expected LaC12N13 to be La(C2N3)3" +mp-1247387,Li3CN2,-5.8025501029,-0.5311461125,0.1569211415,0.1569211415,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:C-Li-N,24.0,AB3C2_mP24_14_e_3e_2e:C-Li-N +mp-1190169,Li(C3N2)2,-8.1277862659,0.1110224179,0.2986771235,0.2986771235,GGA,P2/c,A6BC4_mP22_13_3g_e_2g:C-Li-N,22.0,A6BC4_mP22_13_3g_e_2g:C-Li-N +mp-1001079,Li(CN)2,-7.408722546,-0.0008738057,0.4119665468,0.4119665468,GGA,C2/m,A2BC2_mC20_12_gi_h_gi:C-Li-N,10.0,"Invalid WP multiplicities - A2BC2_mC20_12_2g2i_h_g2i:C-Li-N, expected LiC4N3 to be Li(CN)2" +mp-1190940,LiC2N3,-7.8263518054,-0.263728701,0.080304926,0.080304926,GGA,P2/c,A2BC3_mP24_13_2g_ae_3g:C-Li-N,24.0,A2BC3_mP24_13_2g_ae_3g:C-Li-N +mp-1200503,PdS2O7,-6.259020717,-1.4510604647,0.0308484232,0.0308484232,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:O-Pd-S,40.0,A7BC2_mP40_14_7e_e_2e:O-Pd-S +mp-28952,PdSO4,-6.2585830358,-1.4080686155,0.0095073017,-0.0671078029,GGA,C2/c,A4BC_mC24_15_2f_c_e:O-Pd-S,12.0,A4BC_mC24_15_2f_a_e:O-Pd-S +mp-2677258,PdSO4,-6.2680903375,-1.4175759172,0.0,-0.0766151046,GGA,C2/c,A4BC_mC24_15_2f_c_e:O-Pd-S,12.0,A4BC_mC24_15_2f_a_e:O-Pd-S +mp-1195322,Rb2Pd(S4O13)2,-6.30126349,-1.737845777,0.0,-0.0255436398,GGA,P-1,A26BC2D8_aP37_2_13i_a_i_4i:O-Pd-Rb-S,37.0,A26BC2D8_aP37_2_13i_a_i_4i:O-Pd-Rb-S +mp-975255,RbPdO3,-4.974970446,-0.7748740427,0.155602799,0.155602799,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pd-Rb,5.0,A3BC_cP5_221_c_b_a:O-Pd-Rb +mp-558521,B2Se2O7,-6.9027153259,-1.9047673736,0.0,-0.0025810962,GGA,P2_12_12_1,A2B7C2_oP44_19_2a_7a_2a:B-O-Se,44.0,"Invalid WP multiplicities - A2B7C2_oP44_19_5a_25a_5a:B-O-Se, expected BSeO5 to be B2Se2O7" +mp-1194590,B2Se3O10,-6.5429454175,-1.6553850784000002,0.0,-0.0131137591,GGA,P2_1/c,A2B10C3_mP60_14_2e_10e_3e:B-O-Se,60.0,A2B10C3_mP60_14_2e_10e_3e:B-O-Se +mp-1202375,NaB3SeO7,-7.3601080531,-2.4031552979,0.0,-0.0208624699,GGA,P2_1/c,A3BC7D_mP48_14_3e_e_7e_e:B-Na-O-Se,48.0,A3BC7D_mP48_14_3e_e_7e_e:B-Na-O-Se +mp-1220895,Na6B18Se17,-5.2152064634,-0.6397260060000001,0.0,-0.0067044356,GGA,Cc,A18B6C17_mC164_9_18a_6a_17a:B-Na-Se,82.0,"Invalid WP multiplicities - A18B6C17_mC164_9_27a_8a_25a:B-Na-Se, expected Na8B27Se25 to be Na6B18Se17" +mp-531600,Na3B5Se9,-4.7599010422,-0.7112105697000001,0.0,-0.0164928061,GGA,I4_1/acd,A5B3C9_tI272_142_d2g_cef_e4g:B-Na-Se,136.0,"Invalid WP multiplicities - A5B3C9_tI272_142_7d28g_4c5e4f_4e57g:B-Na-Se, expected Na13B63Se118 to be Na3B5Se9" +mp-5004,Na2B2Se7,-4.3965853932,-0.7170204412000001,0.0,-0.0243169682,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:B-Na-Se,22.0,A2B2C7_mC44_15_f_f_e3f:B-Na-Se +mp-31229,Na4(BSe)9,-5.0871802727,-0.6840970723,0.0,-0.0048582689,GGA,P2_1/c,A9B4C9_mP88_14_9e_4e_9e:B-Na-Se,88.0,A9B4C9_mP88_14_9e_4e_9e:B-Na-Se +mp-640950,NaB9Se8,-5.4843092868,-0.5174013394,0.0,-0.0814745699,GGA,P-3,A9BC8_hP108_147_9g_g_8g:B-Na-Se,108.0,"Invalid WP multiplicities - A9BC8_hP108_147_52g_g_44g:B-Na-Se, expected Na(B13Se11)4 to be NaB9Se8" +mp-1197672,Na6BSe5O21,-5.6278213811,-1.5073800521,0.0758814852,0.0758814852,GGA,I-4,AB6C21D5_tI132_82_ab_3g_e10g_cd2g:B-Na-O-Se,66.0,AB6C21D5_tI132_82_ab_3g_e10g_cd2g:B-Na-O-Se +mp-546920,Li(CO)2,-7.404419425,-1.3524931702,0.2623227626,0.2623227626,GGA,C2/m,A2BC2_mC20_12_gi_h_gi:C-Li-O,10.0,"Invalid WP multiplicities - A2BC2_mC20_12_2g2i_h_g2i:C-Li-O, expected LiC4O3 to be Li(CO)2" +mp-550320,Li4CO4,-6.1274995544,-2.0551537984,0.1313694756,0.1313694756,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_4c_3c:C-Li-O, expected Li8CO6 to be Li4CO4" +mp-550498,Li4CO4,-6.1121174922,-2.0397717362,0.1467515378,0.1467515378,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_2c_4c:C-Li-O, expected Li4CO8 to be Li4CO4" +mp-550798,Li4CO4,-5.9783898578,-1.9060441018,0.2804791722,0.2804791722,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_3c_2c:C-Li-O, expected Li6CO4 to be Li4CO4" +mp-645317,Li4CO4,-6.10927903,-2.036933274,0.14959,0.14959,GGA,Pc,AB4C4_mP18_7_a_4a_4a:C-Li-O,18.0,"Invalid WP multiplicities - AB4C4_mP18_7_a_8a_8a:C-Li-O, expected Li8CO8 to be Li4CO4" +mp-605853,Li4CO4,-6.0730153244,-2.0006695684,0.1858537056,0.1858537056,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2a2b_2ab:C-Li-O, expected Li6CO4 to be Li4CO4" +mp-549207,Li4CO4,-6.0114385756,-1.9390928195,0.2474304544,0.2474304544,GGA,Cm,AB4C4_mC18_8_a_2b_2ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_4b_2a2b:C-Li-O, expected Li8CO6 to be Li4CO4" +mp-549565,Li4CO4,-5.9460943667,-1.8737486106,0.3127746633,0.3127746633,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,AB4C4_mC18_8_a_2ab_2ab:C-Li-O +mp-549389,Li4CO4,-6.0751090489,-2.0027632929,0.1837599811,0.1837599811,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2ab_2a2b:C-Li-O, expected Li4CO6 to be Li4CO4" +mp-1180596,Li4CO4,-6.0696077422,-1.9972619862,0.1892612878,0.1892612878,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,AB4C4_mC18_8_a_2ab_2ab:C-Li-O +mp-1180721,Li4CO4,-6.1886734311,-2.1163276751,0.0701955989,0.0701955989,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2a2b_2ab:C-Li-O, expected Li6CO4 to be Li4CO4" +mp-1238960,Li4CO4,-6.0974935844,-2.0251478284,0.1613754456,0.1613754456,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Li-O,9.0,AB4C4_mC18_8_a_2ab_2ab:C-Li-O +mp-1180553,Li4CO4,-6.0743934456,-2.0020476895,0.1844755844,0.1844755844,GGA,I222,AB4C4_oI18_23_a_k_k:C-Li-O,9.0,AB4C4_oI18_23_a_k_k:C-Li-O +mp-555256,Li4CO4,-6.1026713622,-2.0303256062,0.1561976678,0.1561976678,GGA,Pmn2_1,AB4C4_oP18_31_a_2ab_2ab:C-Li-O,18.0,"Invalid WP multiplicities - AB4C4_oP18_31_a_3a2b_4a4b:C-Li-O, expected Li7CO12 to be Li4CO4" +mp-555320,Li4CO4,-6.1258565278,-2.0535107718,0.1330125022,0.1330125022,GGA,Cmc2_1,AB4C4_oC36_36_a_2ab_2ab:C-Li-O,18.0,"Invalid WP multiplicities - AB4C4_oC36_36_a_4a2b_2ab:C-Li-O, expected Li8CO4 to be Li4CO4" +mp-546202,Li4CO4,-5.9364667467,-1.8641209906,0.3224022833,0.3224022833,GGA,P-43m,AB4C4_cP9_215_a_e_e:C-Li-O,9.0,AB4C4_cP9_215_a_e_e:C-Li-O +mp-551740,Li4CO4,-6.1133885744,-2.0410428184,0.1454804556,0.1454804556,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-Li-O,9.0,AB4C4_tI18_121_a_i_i:C-Li-O +mp-551848,Li4CO4,-6.0741167156,-2.0017709595,0.1847523144,0.1847523144,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-Li-O,9.0,AB4C4_tI18_121_a_i_i:C-Li-O +mp-550474,Li4CO4,-6.0663656567,-1.9940199006,0.1925033733,0.1925033733,GGA,R3m,AB4C4_hR27_160_a_ab_ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_160_a_ab_a2b:C-Li-O, expected Li4CO7 to be Li4CO4" +mp-550593,Li4CO4,-5.9383143389,-1.8659685829,0.3205546911,0.3205546911,GGA,R3m,AB4C4_hR27_160_a_ab_ab:C-Li-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_160_a_ab_a2b:C-Li-O, expected Li4CO7 to be Li4CO4" +mp-1190287,LiCO2,-7.2197665737,-1.9620251283,0.0564947877,0.0564947877,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:C-Li-O,16.0,ABC2_mP16_14_e_e_2e:C-Li-O +mp-1180803,LiCO2,-6.7692903075,-1.5115488621000002,0.5069710539,0.5069710539,GGA,P6_3,ABC2_hP72_173_3c_3c_6c:C-Li-O,72.0,ABC2_hP72_173_3c_3c_6c:C-Li-O +mp-3054,Li2CO3,-6.8965367983,-2.2487739051,0.0,-0.2189421658,GGA,C2/c,AB2C3_mC24_15_e_f_ef:C-Li-O,12.0,AB2C3_mC24_15_e_f_ef:C-Li-O +mp-556777,Li2CO3,-6.8296372675,-2.1818743742,0.0668995308,-0.152042635,GGA,P6_3/mcm,AB2C3_hP12_193_a_d_g:C-Li-O,12.0,AB2C3_hP12_193_a_d_g:C-Li-O +mp-1212087,LiGd(C2O5)2,-8.0113136094,-1.6134014726,0.5788092098000001,0.5788092098000001,GGA,P2/c,A4BCD10_mP64_13_2e3g_g_g_10g:C-Gd-Li-O,64.0,A4BCD10_mP64_13_2e3g_g_g_10g:C-Gd-Li-O +mp-1206066,LiC2O5,-7.152631485,-1.515169309,0.323939367,0.323939367,GGA,P1,A2BC5_aP8_1_2a_a_5a:C-Li-O,8.0,A2BC5_aP8_1_2a_a_5a:C-Li-O +mp-1194889,MgAu2(SO4)4,-6.1715030717,-1.6566829458,0.0,-0.0365050611,GGA,Fdd2,A2BC16D4_oF184_43_b_a_8b_2b:Au-Mg-O-S,46.0,A2BC16D4_oF184_43_b_a_8b_2b:Au-Mg-O-S +mp-1228875,CsNiP,-4.0222371367,0.0073767162,0.38152516,0.38152516,GGA,Cmcm,ABC_oC12_63_c_a_c:Cs-Ni-P,6.0,ABC_oC12_63_c_a_c:Cs-Ni-P +mp-553980,Cs2Ni(PS3)2,-4.86068618,-0.9319365765,0.0227897033,0.0227897033,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:Cs-Ni-P-S,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_14_e_a_e_6e:Cs-Ni-P-S, expected Cs2Ni(PS6)2 to be Cs2Ni(PS3)2" +mp-1080141,Cs2Ni3S4,-4.9260152856,-0.9619025909,0.0056078694,-0.1177211889,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Ni-S,9.0,A2B3C4_oF36_69_g_ac_n:Cs-Ni-S +mp-28486,Cs2Ni3S4,-4.9316231550000005,-0.9675104604,0.0,-0.1233290583,GGA,P6_3/mmc,A2B3C4_hP18_194_f_h_ef:Cs-Ni-S,18.0,A2B3C4_hP18_194_f_h_ef:Cs-Ni-S +mp-1196826,CsNbS2O9,-7.1853753762,-2.2784672571,0.0,-0.0645104517,GGA,Pnma,ABC9D2_oP52_62_c_c_5c2d_2c:Cs-Nb-O-S,52.0,ABC9D2_oP52_62_c_c_5c2d_2c:Cs-Nb-O-S +mp-1217823,Ta2Al3V4C3,-8.7396498575,-0.4918245652,0.0263652238,0.0263652238,GGA,P3m1,A3B3C2D4_hP24_156_3a3b_6c_3ab_3a5b:Al-C-Ta-V,24.0,A3B3C2D4_hP24_156_3a3b_6c_3ab_3a5b:Al-C-Ta-V +mp-8759,Cs2ZrO3,-6.9305358533,-2.7341072687,0.0,-0.0709898781,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-O-Zr,12.0,A2B3C_oC24_63_g_ce_c:Cs-O-Zr +mp-555862,CsZr(NO3)5,-7.0488340434,-1.3522018481,0.0,-0.0550655508,GGA,P2_1/c,AB5C15D_mP88_14_e_5e_15e_e:Cs-N-O-Zr,88.0,"Invalid WP multiplicities - AB5C15D_mP88_14_e_16e_56e_e:Cs-N-O-Zr, expected CsZr(N2O7)8 to be CsZr(NO3)5" +mp-28543,Cs4ZrO4,-5.8255639775,-2.2793345371,0.0,-0.0602449886,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Cs-O-Zr,36.0,A4B4C_mP36_14_4e_4e_e:Cs-O-Zr +mp-1180847,LuI3O10,-4.8902977596,-0.7183022823,0.6780858963,0.6780858963,GGA,P2_1/c,A3BC10_mP56_14_3e_e_10e:I-Lu-O,56.0,A3BC10_mP56_14_3e_e_10e:I-Lu-O +mp-1195893,LuI3O10,-5.4244649655,-1.2524694882,0.1439186904,0.1439186904,GGA,C2/c,A3BC10_mC112_15_3f_f_10f:I-Lu-O,56.0,A3BC10_mC112_15_3f_f_10f:I-Lu-O +mp-1210842,Lu2I2O,-4.532991524,-1.1459270338,1.1555489393,1.1555489393,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:I-Lu-O,5.0,A2B2C_tP5_123_g_g_a:I-Lu-O +mp-1211825,LuIO9,-5.0635902057,-0.4713615447,0.7460215797,0.7460215797,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:I-Lu-O,44.0,ABC9_mP44_14_e_e_9e:I-Lu-O +mp-973585,LuIO,-6.7579004567,-3.1108985962,0.0,-0.0944251704,GGA,P4/nmm,ABC_tP6_129_c_c_a:I-Lu-O,6.0,ABC_tP6_129_c_c_a:I-Lu-O +mp-1193651,LuI3O11,-5.251343992,-1.0277022991,0.2755933343,0.2755933343,GGA,P-1,A3BC11_aP30_2_3i_i_11i:I-Lu-O,30.0,A3BC11_aP30_2_3i_i_11i:I-Lu-O +mp-1226461,Lu4IO13,-6.5469282157,-1.8878103448,0.5748300592000001,0.5748300592000001,GGA,Pbcm,AB4C13_oP72_57_d_cde_3d5e:I-Lu-O,72.0,AB4C13_oP72_57_d_cde_3d5e:I-Lu-O +mp-550635,LuBi2IO4,-6.5365703088,-2.3538140619,0.0,-0.0178877041,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-I-Lu-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-I-Lu-O +mp-572998,Lu(IO3)3,-5.616206344,-1.5038026539,0.0,-0.087153655,GGA,P2_1/c,A3BC9_mP52_14_3e_e_9e:I-Lu-O,52.0,"Invalid WP multiplicities - A3BC9_mP52_14_11e_e_35e:I-Lu-O, expected LuI11O35 to be Lu(IO3)3" +mp-540905,YAlGeO5,-8.1207337706,-3.1746689763,0.0,-0.0113831633,GGA,Pbam,ABC5D_oP32_55_e_g_fghi_h:Al-Ge-O-Y,32.0,ABC5D_oP32_55_e_g_fghi_h:Al-Ge-O-Y +mp-559292,P6Pb3Xe11F58,-4.0067100729,-2.0210504289,0.0,-8.153920000000001e-05,GGA,C2/m,A58B6C3D11_mC156_12_g10i9j_3i_ai_be2j:F-P-Pb-Xe,78.0,"Invalid WP multiplicities - A58B6C3D11_mC156_12_2g20i35j_4i_ai_b2f5j:F-P-Pb-Xe, expected P8Pb3Xe25F184 to be P6Pb3Xe11F58" +mp-558403,P2Pb(XeF6)3,-4.1680333785,-2.1241002115,0.0,-0.0022012153,GGA,C2/m,A18B2CD3_mC96_12_6i6j_ei_i_abj:F-P-Pb-Xe,48.0,"Invalid WP multiplicities - A18B2CD3_mC96_12_12i21j_2f2i_i_abj:F-P-Pb-Xe, expected P4Pb(XeF18)3 to be P2Pb(XeF6)3" +mp-1114184,KRb2AsI6,-2.831391027,-1.1743126673,0.0630678765,0.0630678765,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-I-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:As-I-K-Rb +mp-1111606,K2RbAsI6,-2.788287957,-1.1182231099,0.1160822795,0.1160822795,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-I-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:As-I-K-Rb +mp-676801,K7Th6F31,-6.6275432032,-4.0931843368,0.0,-0.0071531132,GGA,R3,A31B7C6_hR132_146_a10b_a2b_2b:F-K-Th,44.0,"Invalid WP multiplicities - A31B7C6_hR132_146_a30b_a4b_4b:F-K-Th, expected K13Th12F91 to be K7Th6F31" +mp-675562,K2ThF6,-6.2501158417,-3.9052791807,0.004332105,-0.0199846691,GGA,C2/c,A6B2C_mC36_15_3f_2e_e:F-K-Th,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_9f_4e_e:F-K-Th, expected K4ThF18 to be K2ThF6" +mp-1223876,K2ThF6,-6.2544479467,-3.9096112857,0.0,-0.0243167741,GGA,Immm,A6B2C_oI18_71_fn_g_a:F-K-Th,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f2n_g_a:F-K-Th, expected K2ThF12 to be K2ThF6" +mp-14193,K2ThF6,-6.24684554,-3.902008879,0.0076024067,-0.0167143674,GGA,P-62m,A6B2C_hP9_189_fg_c_b:F-K-Th,9.0,A6B2C_hP9_189_fg_c_b:F-K-Th +mp-1211350,KTh2F9,-7.0595206619,-4.297735149,0.0,-0.0111614564,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-K-Th,48.0,A9BC2_oP48_62_c4d_c_d:F-K-Th +mp-710245,KTh6F25,-7.3229320513,-4.4047907189,0.018923702,0.018923702,GGA,P1,A25BC6_aP32_1_25a_a_6a:F-K-Th,32.0,A25BC6_aP32_1_25a_a_6a:F-K-Th +mp-27185,KTh6F25,-7.3339337263,-4.4157923939,0.007922027,0.007922027,GGA,R-3m,A25BC6_hR96_166_2cdf2h_b_h:F-K-Th,32.0,"Invalid WP multiplicities - A25BC6_hR96_166_3cdf2h_b_h:F-K-Th, expected KTh6F27 to be KTh6F25" +mp-556741,KNaThF6,-6.2532567561,-3.8848505011,0.0,-0.0076251533,GGA,P-3,A6BCD_hP18_147_2g_d_c_d:F-K-Na-Th,18.0,"Invalid WP multiplicities - A6BCD_hP18_147_7g_d_c_d:F-K-Na-Th, expected KNaThF21 to be KNaThF6" +mp-27390,K5ThF9,-5.5306859987,-3.5194084192,0.0007265613,0.0007265613,GGA,Cmc2_1,A9B5C_oC60_36_5a2b_a2b_a:F-K-Th,30.0,A9B5C_oC60_36_5a2b_a2b_a:F-K-Th +mp-1195790,Na3U6GaF30,-7.0433128245,-3.7411002998,0.2555084339,0.2555084339,GGA,P-3c1,A30BC3D6_hP80_165_5g_a_bd_g:F-Ga-Na-U,80.0,A30BC3D6_hP80_165_5g_a_bd_g:F-Ga-Na-U +mp-1198141,TaCdBF10,-6.1939756387,-3.2266795744,0.0,-0.0226456196,GGA,P2_1/c,ABC10D_mP52_14_e_e_10e_e:B-Cd-F-Ta,52.0,ABC10D_mP52_14_e_e_10e_e:B-Cd-F-Ta +mp-1112286,K2FeAgF6,-5.061522312,-2.5622974208,0.0130400323,0.0130400323,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-F-Fe-K +mp-17429,KHfPdF7,-6.106866463,-3.1440842071,0.0,-0.0043052002,GGA,Pnna,A7BCD_oP40_52_d3e_d_c_d:F-Hf-K-Pd,40.0,A7BCD_oP40_52_d3e_d_c_d:F-Hf-K-Pd +mp-1112417,K2TaAuF6,-5.591943067,-2.7098099341,0.3407869953,0.3407869953,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ta +mp-558152,GdAg(PO3)4,-8.1464965664,-2.7063769661,0.0012824642,0.0012824642,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ag-Gd-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_13e:Ag-Gd-O-P, expected GdAgP13O46 to be GdAg(PO3)4" +mp-23634,KSbClF3,-4.7143123367,-2.5772500451,0.0,-0.0032641997,GGA,Pbca,AB3CD_oP48_61_c_3c_c_c:Cl-F-K-Sb,48.0,"Invalid WP multiplicities - AB3CD_oP48_61_c_4c_c_c:Cl-F-K-Sb, expected KSbClF4 to be KSbClF3" +mp-1095459,CeNi4B,-6.4083853283,-0.4528807207,0.0,-0.0134886868,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Ce-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Ce-Ni +mp-683987,Ce15B8N25,-8.4236417704,-1.1143950076,0.4829884918,0.4308591303,GGA,R-3c,A8B15C25_hR288_167_cf_e2f_b4f:B-Ce-N,96.0,"Invalid WP multiplicities - A8B15C25_hR288_167_4c4f_5e16f_2b41f:B-Ce-N, expected Ce111(B4N31)8 to be Ce15B8N25" +mp-28370,Ce15B8N25,-8.9066302622,-1.5973834993,0.0,-0.0521293614,GGA,R-3c,A8B15C25_hR288_167_cf_e2f_b4f:B-Ce-N,96.0,A8B15C25_hR288_167_cf_e2f_b4f:B-Ce-N +mp-29595,CeBN2,-8.8218163517,-1.5004486577,0.0697342246,0.0697342246,GGA,P-1,ABC2_aP24_2_3i_3i_6i:B-Ce-N,24.0,"Invalid WP multiplicities - ABC2_aP24_2_4i_3i_7i:B-Ce-N, expected Ce3B4N7 to be CeBN2" +mp-21695,Ce(Ni2B)6,-6.4633450224,-0.3911829203,0.0,-0.0406643729,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-Ce-Ni,38.0,"Invalid WP multiplicities - A6BC12_oC76_36_2a3b_a_2a8b:B-Ce-Ni, expected Ce(Ni9B4)2 to be Ce(Ni2B)6" +mp-1226793,CeNi2B3,-6.6694409046,-0.4141845999999999,0.1267863915,0.1267863915,GGA,I4mm,A3BC2_tI48_107_ce_2ab_cd:B-Ce-Ni,24.0,A3BC2_tI48_107_ce_2ab_cd:B-Ce-Ni +mp-21136,Ce3Ni2B2N3,-8.005013061,-1.2322321468,0.0,-0.0305387079,GGA,I4/mmm,A2B3C3D2_tI20_139_e_ae_be_d:B-Ce-N-Ni,10.0,"Invalid WP multiplicities - A2B3C3D2_tI20_139_e_ae_b2e_d:B-Ce-N-Ni, expected Ce3Ni2B2N5 to be Ce3Ni2B2N3" +mp-1106339,Ce3Ni13B2,-6.3287575706,-0.4232115791,0.0,-0.0063638117,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-Ce-Ni,18.0,A2B3C13_hP18_191_c_ae_ghi:B-Ce-Ni +mp-3603,Ce3(BN2)2,-8.7207535356,-1.5536390126,0.0,-0.0187971325,GGA,Immm,A2B3C4_oI18_71_e_cg_n:B-Ce-N,9.0,A2B3C4_oI18_71_e_cg_n:B-Ce-N +mp-1095458,Ce2Ni5B4,-6.6159684791,-0.481020407,0.025439502,0.025439502,GGA,C2/m,A4B2C5_mC22_12_2i_i_aj:B-Ce-Ni,11.0,A4B2C5_mC22_12_2i_i_aj:B-Ce-Ni +mp-1191074,CeNiB4,-6.99014828,-0.5850161269,0.0,-0.0162944146,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Ce-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Ce-Ni +mp-21169,Ce2NiB10,-7.0728438496,-0.5774413344,0.0,-0.0298057042,GGA,Pbam,A10B2C_oP26_55_3gi_h_a:B-Ce-Ni,26.0,"Invalid WP multiplicities - A10B2C_oP26_55_4gi_h_a:B-Ce-Ni, expected Ce2NiB12 to be Ce2NiB10" +mp-31017,Ce4B2N5,-8.7312550418,-1.5700173339,0.0064119918,0.0064119918,GGA,C2/m,A2B4C5_mC22_12_i_2i_a2i:B-Ce-N,11.0,A2B4C5_mC22_12_i_2i_a2i:B-Ce-N +mp-541851,Ce2(Ni7B2)3,-6.3116586507,-0.3349207467,0.00454955,0.00454955,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Ce-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Ce-Ni +mp-569173,TlAu(CN)2,-6.6488892555,0.1455850748,0.1603548001,0.1603548001,GGA,Pbcn,AB2C2D_oP96_60_2cd_4c2d_4c2d_2d:Au-C-N-Tl,96.0,"Invalid WP multiplicities - AB2C2D_oP96_60_6c4d_14c13d_15c13d_11d:Au-C-N-Tl, expected Tl22Au14C40N41 to be TlAu(CN)2" +mp-1214766,AuC2,-5.70033503,1.5434026317,1.5434026317,1.5434026317,GGA,P6/mmm,AB2_hP3_191_a_e:Au-C,3.0,AB2_hP3_191_a_e:Au-C +mp-1183164,AuC,-4.3736464675,1.8776272787,1.8776272787,1.8776272787,GGA,P6_3mc,AB_hP4_186_b_b:Au-C,4.0,AB_hP4_186_b_b:Au-C +mp-1008661,AuC,-4.00379887,2.2474748763,2.2474748762,2.2474748762,GGA,P-6m2,AB_hP2_187_a_d:Au-C,2.0,AB_hP2_187_a_d:Au-C +mp-1228707,AuC,-4.1375016,2.1137721462,2.1137721462,2.1137721462,GGA,P6/mmm,AB_hP2_191_a_b:Au-C,2.0,AB_hP2_191_a_b:Au-C +mp-1245653,AuC2N3,-7.5103583479,0.2797579454,0.2797579454,0.2797579454,GGA,C2/c,AB2C3_mC48_15_2e_2f_3f:Au-C-N,24.0,AB2C3_mC48_15_2e_2f_3f:Au-C-N +mp-1245660,AuC2N3,-7.5562902678,0.2338260256,0.2338260256,0.2338260256,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Au-C-N,18.0,AB2C3_hP18_152_a_c_bc:Au-C-N +mp-29196,AuCN,-6.69574455,0.2506029225,0.2506029225,0.2506029225,GGA,P6mm,ABC_hP3_183_a_a_a:Au-C-N,3.0,ABC_hP3_183_a_a_a:Au-C-N +mp-1206759,LiZrS2,-6.42638284,-1.7440020324,0.0,-0.0010722803,GGA,R3m,AB2C_hR12_160_a_2a_a:Li-S-Zr,4.0,AB2C_hR12_160_a_2a_a:Li-S-Zr +mp-767467,Li7Y7Zr9S32,-6.8470129627,-1.9756773396,0.0007792335,0.0007792335,GGA,P1,A7B32C7D9_aP55_1_7a_32a_7a_9a:Li-S-Y-Zr,55.0,A7B32C7D9_aP55_1_7a_32a_7a_9a:Li-S-Y-Zr +mp-1215700,YZrS2,-7.7301207125,-1.9083528432,0.0583956705,0.0583956705,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Y-Zr,4.0,A2BC_hR12_166_c_a_b:S-Y-Zr +mp-1197050,Y2ZrS5,-7.4486501553,-2.1782886314,8.92766e-05,8.92766e-05,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:S-Y-Zr,32.0,A5B2C_oP32_62_3cd_d_c:S-Y-Zr +mp-755552,LiYS2,-6.1856484275,-2.0235749991,0.0758434225,0.0253636544,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-S-Y,4.0,AB2C_tP4_123_a_bc_d:Li-S-Y +mp-33363,LiYS2,-6.2530625838,-2.0909891553,0.0084292662,-0.0420505019,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-S-Y,8.0,AB2C_tI16_141_a_e_b:Li-S-Y +mp-15788,LiYS2,-6.26149185,-2.0994184216,0.0,-0.0504797681,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Y,4.0,AB2C_hR12_166_a_c_b:Li-S-Y +mp-1222722,Li(ZrS2)2,-6.9081211043,-1.8295320194,0.0,-0.0405563229,GGA,P2/m,AB4C2_mP7_10_c_mn_bd:Li-S-Zr,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_b_2m2n_ce:Li-S-Zr, expected Li(ZrS4)2 to be Li(ZrS2)2" +mp-754856,Li7Y7ZrS16,-6.3704051158,-2.0685129752,0.0066656555,0.0066656555,GGA,P2/m,A7B16C7D_mP31_10_g2jl_mn3o_ai2k_b:Li-S-Y-Zr,31.0,"Invalid WP multiplicities - A7B16C7D_mP31_10_c3j2k_2m2n10o_a2i4l_b:Li-S-Y-Zr, expected Li11Y13ZrS48 to be Li7Y7ZrS16" +mp-545506,GdZnPO,-8.4544956725,-2.0305314055,0.0,-0.0623829819,GGA,R-3m,ABCD_hR24_166_c_c_c_c:Gd-O-P-Zn,8.0,ABCD_hR24_166_c_c_c_c:Gd-O-P-Zn +mp-1205784,Y3(AgGe)4,-5.00886931,-0.5341648761000001,0.0125268208,0.0125268208,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Y,,A4B4C3_oI22_71_n_eg_bf:Ag-Ge-Y +mp-1205828,YAgGe,-5.3088637311,-0.6681787406,0.0,-0.07182941,GGA,P-62m,ABC_hP9_189_f_bc_g:Ag-Ge-Y,9.0,ABC_hP9_189_f_bc_g:Ag-Ge-Y +mp-1216221,Y6Ag(GeS7)2,-6.4467309483,-1.71682936,0.0240995201,0.0240995201,GGA,P3,AB2C14D6_hP23_143_c_ab_ab4d_2d:Ag-Ge-S-Y,23.0,AB2C14D6_hP23_143_c_ab_ab4d_2d:Ag-Ge-S-Y +mp-1200551,Nd2US5,-7.3374530287,-2.1487087526,0.0,-0.0334911284,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Nd-S-U,32.0,A2B5C_oP32_62_d_3cd_c:Nd-S-U +mp-1198956,Nd2ThS5,-7.0666494897,-2.3625991835,0.0,-0.0169419912,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Nd-S-Th,32.0,A2B5C_oP32_62_d_3cd_c:Nd-S-Th +mp-1220154,NdU2S5,-7.9381335572,-1.9339814588,0.0185598759,0.0185598759,GGA,Pna2_1,AB5C2_oP32_33_a_5a_2a:Nd-S-U,32.0,"Invalid WP multiplicities - AB5C2_oP32_33_a_10a_2a:Nd-S-U, expected Nd(US5)2 to be NdU2S5" +mp-685926,Nd10US16,-6.9051299196,-2.2697194676,0.0367975275,0.0367975275,GGA,P-4,A10B16C_tP27_81_g2h_4h_a:Nd-S-U,27.0,"Invalid WP multiplicities - A10B16C_tP27_81_2g4h_12h_a:Nd-S-U, expected Nd20US48 to be Nd10US16" +mp-1220185,NdThUS5,-7.6495428834,-2.1300847551,0.0413287438,0.0413287438,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Nd-S-Th-U,32.0,AB5CD_oP32_19_a_5a_a_a:Nd-S-Th-U +mp-1223698,K2Fe2SeS3,-5.35450465,-0.971241976,0.0196031681,0.0196031681,GGA,P1,A2B2C3D_aP8_1_2a_2a_3a_a:Fe-K-S-Se,8.0,A2B2C3D_aP8_1_2a_2a_3a_a:Fe-K-S-Se +mp-1407746,K2Fe2SeS3,-3.4710031275,0.9122595465,1.9031046906,1.9031046906,GGA,P1,A2B2C3D_aP8_1_2a_2a_3a_a:Fe-K-S-Se,8.0,A2B2C3D_aP8_1_2a_2a_3a_a:Fe-K-S-Se +mp-1223522,KFeSeS,-5.2441382725,-0.9409428971,0.0272344838,0.0272344838,GGA,C2,ABCD_mC16_5_ab_ab_c_c:Fe-K-S-Se,8.0,ABCD_mC16_5_ab_ab_c_c:Fe-K-S-Se +mp-601881,CaAlH5,-3.5208168036,-0.2758445271,0.1325594254,0.0943638611,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Al-Ca-H,56.0,"Invalid WP multiplicities - ABC5_mP56_14_5e_5e_35e:Al-Ca-H, expected CaAlH7 to be CaAlH5" +mp-966582,CaAlH5,-3.6533762289,-0.4084039525,0.0,-0.0381955643,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Al-Ca-H,56.0,ABC5_mP56_14_2e_2e_10e:Al-Ca-H +mp-1182023,CaAlH5,-3.5366709012,-0.2916986248,0.1167053277,0.0785097634,GGA,P2_1/c,ABC5_mP56_14_2e_2e_10e:Al-Ca-H,56.0,"Invalid WP multiplicities - ABC5_mP56_14_5e_5e_35e:Al-Ca-H, expected CaAlH7 to be CaAlH5" +mp-583071,CaAlH5,-3.6448545121,-0.3998822357,0.0085217168,-0.0296738475,GGA,P2_12_12_1,ABC5_oP28_19_a_a_5a:Al-Ca-H,28.0,"Invalid WP multiplicities - ABC5_oP28_19_a_a_18a:Al-Ca-H, expected CaAlH18 to be CaAlH5" +mp-632787,CaAlH5,-3.64407913,-0.3991068536,0.0092970989,-0.0288984654,GGA,P2_12_12_1,ABC5_oP28_19_a_a_5a:Al-Ca-H,28.0,ABC5_oP28_19_a_a_5a:Al-Ca-H +mp-1214099,Ca(AlH4)2,-3.6111095682,-0.2803313955,0.0308164593,0.0308164593,GGA,P2_1/c,A2BC8_mP22_14_e_a_4e:Al-Ca-H,22.0,A2BC8_mP22_14_e_a_4e:Al-Ca-H +mp-1198688,Ca(AlH4)2,-3.6181291641,-0.2873509914,0.0237968634,0.0237968634,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:Al-Ca-H,88.0,A2BC8_oP88_61_2c_c_8c:Al-Ca-H +mp-1214193,Ca(AlH4)2,-3.6141062662,-0.2833280934,0.0278197613,0.0278197613,GGA,P-3,A2BC8_hP99_147_3g_adg_12g:Al-Ca-H,99.0,A2BC8_hP99_147_3g_adg_12g:Al-Ca-H +mp-1214090,Ca(AlH4)2,-3.6080581573,-0.2772799845,0.0338678702,0.0338678702,GGA,P-62m,A2BC8_hP33_189_fg_ad_2f2gjk:Al-Ca-H,33.0,A2BC8_hP33_189_fg_ad_2f2gjk:Al-Ca-H +mp-707040,CaAl2H16N9,-5.4233865134,-0.4659285639,0.1813925408,0.1813925408,GGA,C2/c,A2BC16D9_mC112_15_f_e_8f_e4f:Al-Ca-H-N,56.0,A2BC16D9_mC112_15_f_e_8f_e4f:Al-Ca-H-N +mp-1215975,YSn2BiO7,-7.2905523855,-2.4766501189,0.0035609798,0.0035609798,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Bi-O-Sn-Y,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Bi-O-Sn-Y, expected YSn2BiO13 to be YSn2BiO7" +mp-1216099,Y3Sn4BiO14,-7.6789675759,-2.7457024919,0.0014528424,0.0014528424,GGA,R-3m,AB14C4D3_hR66_166_a_c2h_be_d:Bi-O-Sn-Y,22.0,"Invalid WP multiplicities - AB14C4D3_hR66_166_a_c9h_be_d:Bi-O-Sn-Y, expected Y3Sn4BiO56 to be Y3Sn4BiO14" +mp-1211986,K2Hg3S4,-2.9522457339,-0.7658414609,0.0,-0.0070818161,GGA,Pbcn,A3B2C4_oP36_60_cd_d_2d:Hg-K-S,36.0,A3B2C4_oP36_60_cd_d_2d:Hg-K-S +mp-6678,KHgSbS3,-3.7673625096,-0.7752908175000001,0.0114150437,0.0114150437,GGA,C2/c,ABC3D_mC48_15_2e_f_3f_f:Hg-K-S-Sb,24.0,"Invalid WP multiplicities - ABC3D_mC48_15_2e_f_5f_f:Hg-K-S-Sb, expected KHgSbS5 to be KHgSbS3" +mp-28859,K2HgS2,-3.1967243895,-1.0372487909,0.0,-0.060152497,GGA,Pbcm,AB2C2_oP20_57_d_cd_2d:Hg-K-S,20.0,"Invalid WP multiplicities - AB2C2_oP20_57_d_c2d_6d:Hg-K-S, expected K3HgS6 to be K2HgS2" +mp-1211969,K2Hg6S7,-2.819383682,-0.6195150719,0.0,-0.0084063197,GGA,P-42_1m,A6B2C7_tP30_113_ef_e_cef:Hg-K-S,30.0,A6B2C7_tP30_113_ef_e_cef:Hg-K-S +mp-5114,K6HgS4,-3.2873842041,-1.1499411573,0.0,-0.0115436907,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Hg-K-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_5c_b2c:Hg-K-S, expected K15HgS7 to be K6HgS4" +mp-725977,K2HgS4,-3.5257300221,-0.8014046326,0.1025594299,0.1025594299,GGA,C2/c,AB2C4_mC28_15_e_f_2f:Hg-K-S,14.0,AB2C4_mC28_15_e_f_2f:Hg-K-S +mp-561478,KSbMoO5,-7.1425100184,-2.0401982868,0.0020059228,0.0020059228,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:K-Mo-O-Sb,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_20e_e:K-Mo-O-Sb, expected KSbMoO20 to be KSbMoO5" +mp-618807,KSb(MoO4)2,-7.5495382933,-2.0075207853,0.0197418928,0.0197418928,GGA+U,P-1,AB2C8D_aP24_2_i_2i_8i_i:K-Mo-O-Sb,24.0,"Invalid WP multiplicities - AB2C8D_aP24_2_i_4i_14i_i:K-Mo-O-Sb, expected KSb(Mo2O7)2 to be KSb(MoO4)2" +mp-1033809,HfMg14WO16,-6.6134677606,-2.7238971563,0.3253249091,0.3253249091,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-W, expected HfMg18WO20 to be HfMg14WO16" +mp-1033757,HfMg14WO16,-6.5788527009,-2.6892820966,0.3599399688,0.3599399688,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-W, expected HfMg30WO32 to be HfMg14WO16" +mp-1026467,HfMg14W,-2.6852932631,0.1471592344,0.1805196204,0.1805196204,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-W, expected HfMg18W to be HfMg14W" +mp-1026452,HfMg14W,-2.6204056181,0.2120468794,0.2454072654,0.2454072654,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-W, expected HfMg26W to be HfMg14W" +mp-1204711,Hf(WO4)2,-9.4783960223,-2.6195815514,0.0710090236,0.0710090236,GGA+U,P2_13,AB8C2_cP44_198_a_2a2b_2a:Hf-O-W,44.0,AB8C2_cP44_198_a_2a2b_2a:Hf-O-W +mp-1212452,Hf9W4O3,-10.3994453228,-0.6314898026,0.5641441852,0.5641441852,GGA+U,P6_3/mmc,A9B3C4_hP32_194_hk_g_ah:Hf-O-W,32.0,A9B3C4_hP32_194_hk_g_ah:Hf-O-W +mp-1038544,HfMg30WO32,-6.4653803375,-2.883852845,0.1677783374,0.1677783374,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-W, expected HfMg110WO72 to be HfMg30WO32" +mp-1038524,HfMg30WO32,-6.4682714713,-2.8867439788,0.1648872036,0.1648872036,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-W, expected HfMg90WO80 to be HfMg30WO32" +mp-1017033,HfMg6W,-3.8191228569,0.2455020881,0.2926177269,0.2926177269,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-W, expected HfMg12W to be HfMg6W" +mp-1017051,HfMg6W,-3.7504055294,0.3142194156,0.3613350544,0.3613350544,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-W, expected HfMg12W to be HfMg6W" +mp-1033268,HfMg6WO8,-6.9645808181,-2.45892399,0.5854798414,0.5854798414,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-W, expected HfMg6WO12 to be HfMg6WO8" +mp-1033277,HfMg6WO8,-6.8967594369,-2.3911026087,0.6533012227,0.6533012227,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-W, expected HfMg6WO12 to be HfMg6WO8" +mp-561527,Rb3Zr2P5S18,-5.4479780011,-1.1065632291,0.0,-0.0362884032,GGA,Cc,A5B3C18D2_mC112_9_5a_3a_18a_2a:P-Rb-S-Zr,56.0,"Invalid WP multiplicities - A5B3C18D2_mC112_9_9a_3a_35a_2a:P-Rb-S-Zr, expected Rb3Zr2P9S35 to be Rb3Zr2P5S18" +mp-558772,Rb2ZrS4,-5.4246765698,-1.5597382495,0.0,-0.1045128993,GGA,Pbca,A2B4C_oP56_61_2c_4c_c:Rb-S-Zr,56.0,"Invalid WP multiplicities - A2B4C_oP56_61_12c_29c_c:Rb-S-Zr, expected Rb12ZrS29 to be Rb2ZrS4" +mp-861938,KLaSiS4,-5.7696446586,-1.7671412944,0.0,-0.0970955621,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:K-La-S-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_7a_a:K-La-S-Si, expected KLaSiS7 to be KLaSiS4" +mp-12924,KLaSiS4,-5.7672386971,-1.7647353329,0.0024059614,-0.0946896007,GGA,P2_1/m,ABC4D_mP14_11_e_e_2ef_e:K-La-S-Si,14.0,ABC4D_mP14_11_e_e_2ef_e:K-La-S-Si +mp-1223553,KBa2Ni2F9,-5.6131276079,-3.2051324011,0.1158167943,0.1158167943,GGA+U,R3m,A2B9CD2_hR42_160_2a_3b_a_2a:Ba-F-K-Ni,14.0,A2B9CD2_hR42_160_2a_3b_a_2a:Ba-F-K-Ni +mp-1110658,Rb2YCuF6,-5.549889766,-3.1503277927,0.0844840372,0.0844840372,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-Rb-Y +mp-1017207,Mg6CdC,-2.0378149687,0.4313394753,0.4830899591,0.4830899591,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Cd-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Cd-Mg +mp-1017221,Mg6CdC,-2.1856858719,0.2834685722,0.3352190559,0.3352190559,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Cd-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:C-Cd-Mg, expected Mg12CdC to be Mg6CdC" +mp-1026647,Mg14CdC,-1.8817493956,0.1529678514,0.192649885,0.192649885,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Cd-Mg, expected Mg18CdC to be Mg14CdC" +mp-1099100,Mg14CdC,-1.8167131612,0.2180040858,0.2576861193,0.2576861193,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Cd-Mg, expected Mg18CdC to be Mg14CdC" +mp-1026448,Mg14CdC,-1.7743543669,0.2603628802,0.3000449137,0.3000449137,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Cd-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Cd-Mg, expected Mg26CdC to be Mg14CdC" +mp-1222080,MgCd(CO3)2,-7.177610733,-2.1115474268,0.0,-0.0050924795,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:C-Cd-Mg-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Cd-Mg-O +mp-1038484,Mg30CdCO32,-6.2069212448,-2.824827565,0.1342476653,0.1342476653,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Cd-Mg-O, expected Mg110CdCO72 to be Mg30CdCO32" +mp-1038496,Mg30CdCO32,-6.2076580195,-2.8255643396,0.1335108906,0.1335108906,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Cd-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Cd-Mg-O, expected Mg90CdCO80 to be Mg30CdCO32" +mp-1033748,Mg14CdCO16,-6.08992682,-2.5992238409,0.2648863203,0.2648863203,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Cd-Mg-O, expected Mg18CdCO20 to be Mg14CdCO16" +mp-1033739,Mg14CdCO16,-6.0876565975,-2.5969536184,0.2671565428,0.2671565428,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Cd-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Cd-Mg-O, expected Mg30CdCO32 to be Mg14CdCO16" +mp-1222101,MgCd3(CO3)4,-6.9669321515,-1.9347383597,0.0028425635,0.0028425635,GGA,R-3,A4B3CD12_hR60_148_2c_ac_b_2f:C-Cd-Mg-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_148_4c_ac_b_12f:C-Cd-Mg-O, expected MgCd3(CO9)8 to be MgCd3(CO3)4" +mp-1033208,Mg6CdCO8,-5.84412997,-2.1362083923,0.5379716306,0.5379716306,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Cd-Mg-O, expected Mg6CdCO12 to be Mg6CdCO8" +mp-1033230,Mg6CdCO8,-5.855264825,-2.1473432473,0.5268367756,0.5268367756,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Cd-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Cd-Mg-O, expected Mg6CdCO12 to be Mg6CdCO8" +mp-1113040,Cs2KMoI6,-3.484234483,-1.2255292929,0.0778517087,0.0778517087,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Mo,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Mo +mp-1112095,K2InAgI6,-2.696630941,-1.0321073683,0.0777334073,0.0777334073,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ag-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Ag-I-In-K +mp-1194407,Co22B6Sb,-7.0195509221,-0.102711496,0.0814282336,0.0814282336,GGA,Fm-3m,A6B22C_cF116_225_e_cfh_a:B-Co-Sb,29.0,A6B22C_cF116_225_e_cfh_a:B-Co-Sb +mp-505544,Co21(B3Sb)2,-7.01205185,-0.1979474776,0.0039550212,0.0039550212,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Sb,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Sb +mp-1226643,Co11B4SbO20,-7.5773353953,-1.8003398871,0.1785115625,0.1785115625,GGA+U,C2/m,A4B11C20D_mC72_12_2i_acdeij_6i2j_b:B-Co-O-Sb,36.0,"Invalid WP multiplicities - A4B11C20D_mC72_12_4i_acdeij_12i2j_b:B-Co-O-Sb, expected Co11B8SbO32 to be Co11B4SbO20" +mp-562048,Co3Bi(CO)9,-7.6876090327,-0.7447167441,0.405447549,0.405447549,GGA+U,P6_3mc,AB9C3D9_hP44_186_b_3c_c_3c:Bi-C-Co-O,44.0,"Invalid WP multiplicities - AB9C3D9_hP44_186_b_14c_c_14c:Bi-C-Co-O, expected Co3Bi(CO)42 to be Co3Bi(CO)9" +mp-1203525,CoBi(CO)3,-7.375721157,-0.6913624650000001,0.3816507853,0.3816507853,GGA+U,I4_1/amd,AB3CD3_tI128_141_h_hi_h_hi:Bi-C-Co-O,64.0,AB3CD3_tI128_141_h_hi_h_hi:Bi-C-Co-O +mp-1031984,Mg6CoCO8,-6.2291812019,-2.134670372,0.5395096509,0.5395096509,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Co-Mg-O, expected Mg6CoCO12 to be Mg6CoCO8" +mp-1031988,Mg6CoCO8,-6.2444859731,-2.1499751433,0.5242048797000001,0.5242048797000001,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Co-Mg-O, expected Mg6CoCO12 to be Mg6CoCO8" +mp-1028405,Mg14CoC,-2.2263312012,0.194975298,0.2022239955,0.2022239955,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Co-Mg, expected Mg18CoC to be Mg14CoC" +mp-1028371,Mg14CoC,-2.0913264987,0.3299800005,0.337228698,0.337228698,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Co-Mg, expected Mg26CoC to be Mg14CoC" +mp-20424,MgCo3C,-6.500367282,-0.0695874965,0.0,-0.0496993995,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Co-Mg,5.0,AB3C_cP5_221_b_c_a:C-Co-Mg +mp-2231241,MgCo2(CO3)4,-7.6052953642,-1.705724725,0.1086561529,0.1086561529,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:C-Co-Mg-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:C-Co-Mg-O +mp-1035037,Mg14CoCO16,-6.299261565,-2.6152639598,0.2488462014,0.2488462014,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Co-Mg-O, expected Mg18CoCO20 to be Mg14CoCO16" +mp-1034998,Mg14CoCO16,-6.2792703513,-2.595272746,0.2688374152,0.2688374152,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Co-Mg-O, expected Mg30CoCO32 to be Mg14CoCO16" +mp-1036912,Mg30CoCO32,-6.2962086291,-2.8174676361,0.1416075941,0.1416075941,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Co-Mg-O, expected Mg110CoCO72 to be Mg30CoCO32" +mp-1036880,Mg30CoCO32,-6.3012541134,-2.8225131205,0.1365621098,0.1365621098,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Co-Mg-O, expected Mg90CoCO80 to be Mg30CoCO32" +mp-1022051,Mg6CoC,-2.8794824063,0.3628505422,0.3773479373,0.3773479373,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Co-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Co-Mg +mp-1022081,Mg6CoC,-2.8524680262,0.3898649222,0.4043623173,0.4043623173,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Co-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Co-Mg +mp-1095055,Fe(NF2)3,-4.785520053,-0.290682074,0.8286762695000001,0.8286762695000001,GGA+U,P1,A6BC3_aP10_1_6a_a_3a:F-Fe-N,10.0,A6BC3_aP10_1_6a_a_3a:F-Fe-N +mp-723385,Fe(NF2)3,-4.240951465,0.253886514,1.3732448575,1.3732448575,GGA+U,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Fe-N,10.0,A6BC3_cF40_225_e_a_bc:F-Fe-N +mp-1179212,TaNF6,-6.0006119575,-2.0427186625,0.6375766316,0.6375766316,GGA,P-1,A6BC_aP8_2_3i_a_d:F-N-Ta,8.0,"Invalid WP multiplicities - A6BC_aP8_2_6i_a_d:F-N-Ta, expected TaNF12 to be TaNF6" +mp-1079366,TaNF6,-5.98398757,-2.026094275,0.6542010191000001,0.6542010191000001,GGA,R-3,A6BC_hR24_148_f_a_b:F-N-Ta,8.0,A6BC_hR24_148_f_a_b:F-N-Ta +mp-1198504,Fe2NF6,-5.8222596728,-1.7394362117000002,0.6060285274,0.6060285274,GGA+U,Pnma,A6B2C_oP36_62_2c2d_ac_c:F-Fe-N,36.0,A6B2C_oP36_62_2c2d_ac_c:F-Fe-N +mp-1212814,Fe3NF9,-5.9458022669,-2.0265815544,0.4090933669,0.4090933669,GGA+U,P6/mmm,A9B3C_hP13_191_fm_g_a:F-Fe-N,13.0,A9B3C_hP13_191_fm_g_a:F-Fe-N +mp-1019281,Ta2N3F,-9.6149999167,-1.1755800829,0.5564392698,0.5564392698,GGA,P6/mmm,AB3C2_hP6_191_a_f_d:F-N-Ta,6.0,AB3C2_hP6_191_a_f_d:F-N-Ta +mp-1208745,Ta(NF4)3,-4.3813749687,-0.6435618428000001,0.6965858042,0.6965858042,GGA,C2/m,A12B3C_mC32_12_3j_ce_a:F-N-Ta,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_d:F-N-Ta, expected TaN3F40 to be Ta(NF4)3" +mp-1190747,Ta2Fe(NF2)6,-5.791443379,-0.7846674919000001,1.6277703917,1.6277703917,GGA+U,Fm-3m,A12BC6D2_cF84_225_g_a_e_c:F-Fe-N-Ta,21.0,A12BC6D2_cF84_225_g_a_e_c:F-Fe-N-Ta +mp-1193073,Ta4Fe2N,-10.938547625,-0.5517407871000001,0.0016204397,0.0016204397,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Fe-N-Ta,28.0,A2BC4_cF112_227_e_c_df:Fe-N-Ta +mp-1208688,Ta(NF2)3,-5.575392267,-0.7417786460000001,1.4024575893,1.4024575893,GGA,P-1,A6B3C_aP10_2_3i_acf_b:F-N-Ta,10.0,A6B3C_aP10_2_3i_acf_b:F-N-Ta +mp-1213521,FeN2F5,-4.8425646734,-0.5050139363,0.8675593219000001,0.8675593219000001,GGA+U,Pbcn,A5BC2_oP64_60_ac4d_d_2cd:F-Fe-N,64.0,A5BC2_oP64_60_ac4d_d_2cd:F-Fe-N +mp-839723,FeN2F5,-4.4181543144,-0.0806035772,1.291969681,1.291969681,GGA+U,Pnma,A5BC2_oP32_62_c2d_a_2c:F-Fe-N,32.0,A5BC2_oP32_62_c2d_a_2c:F-Fe-N +mp-1246387,TaFeN2,-9.7868934316,-0.5366962591000001,0.3637736209,0.3637736209,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Fe-N-Ta,64.0,AB2C_oP64_61_2c_4c_2c:Fe-N-Ta +mp-4871,ErP5O14,-7.8775262372,-2.8331325722000003,0.0,-0.0118138459,GGA,C2/c,AB14C5_mC160_15_2e_14f_5f:Er-O-P,80.0,"Invalid WP multiplicities - AB14C5_mC160_15_2e_17f_5f:Er-O-P, expected ErP5O17 to be ErP5O14" +mp-3457,ErP5O14,-7.8681664441,-2.8237727791,0.0093597931,-0.0024540527,GGA,Pnma,AB14C5_oP80_62_c_2c6d_c2d:Er-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_62_c_3c8d_c2d:Er-O-P, expected ErP5O19 to be ErP5O14" +mp-561712,CsEr(PO3)4,-7.7252871192,-2.9210318001,0.0087719697,0.0087719697,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cs-Er-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_43e_14e:Cs-Er-O-P, expected CsErP14O43 to be CsEr(PO3)4" +mp-772958,Er2P4O13,-8.1646495009,-3.159617875,0.0208803845,0.0208803845,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Er-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Er-O-P, expected ErP5O17 to be Er2P4O13" +mp-772959,Er2P4O13,-8.1591283859,-3.15409676,0.0264014995,0.0264014995,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Er-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:Er-O-P, expected Er7(P5O17)3 to be Er2P4O13" +mp-773003,Er2P4O13,-8.1409838495,-3.1359522235,0.0445460359,0.0445460359,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Er-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e24f_7f:Er-O-P, expected ErP7O25 to be Er2P4O13" +mp-1198204,CsErP2O7,-7.789460167,-3.1606831512,0.0,-0.0270515273,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cs-Er-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cs-Er-O-P +mp-1213464,Er(PO)2,-6.5251754535,-1.4676352043,0.9987667237,0.9987667237,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Er-O-P,20.0,AB2C2_tI40_141_c_h_h:Er-O-P +mp-726097,Er(PO2)3,-7.5814287675,-2.5326529078,0.3061552388,0.3061552388,GGA,C2/m,AB6C3_mC40_12_ac_2i2j_3i:Er-O-P,20.0,AB6C3_mC40_12_ac_2i2j_3i:Er-O-P +mp-27939,Er(PO3)3,-8.0519860148,-3.0267687278,0.0,-0.0345792132,GGA,P2_1/m,AB9C3_mP52_11_2e_4e7f_2e2f:Er-O-P,52.0,"Invalid WP multiplicities - AB9C3_mP52_11_3e_8e14f_4e4f:Er-O-P, expected Er(PO3)4 to be Er(PO3)3" +mp-1200101,Er(PO3)3,-8.0492413422,-3.0240240552,0.0027446726,-0.0318345406,GGA,P2_1/c,AB9C3_mP156_14_ab2e_27e_9e:Er-O-P,156.0,AB9C3_mP156_14_ab2e_27e_9e:Er-O-P +mp-1213544,Er(PO5)2,-6.8974647542,-1.9081408361,0.4160694304,0.4160694304,GGA,Pnna,AB10C2_oP52_52_d_5e_e:Er-O-P,52.0,AB10C2_oP52_52_d_5e_e:Er-O-P +mp-4006,ErPO4,-8.4748749383,-3.5135789114,0.0,-0.1668277868,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Er-O-P,12.0,AB4C_tI24_141_a_h_b:Er-O-P +mp-1247202,Mg2Mn3WS8,-6.4602521421,-0.9790853463,0.1673353943,0.1673353943,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-W,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-W, expected Mg2Mn3WS16 to be Mg2Mn3WS8" +mp-1247384,Mg2MnW3S8,-7.033235125,-1.0097661952,0.2113728816,0.2113728816,GGA,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Mg-Mn-S-W,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_160_2a_a_2a6b_b:Mg-Mn-S-W, expected Mg2MnW3S20 to be Mg2MnW3S8" +mp-1028070,Mg14MnW,-2.59853704,0.1842170989,0.1946427228,0.1946427228,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-W, expected Mg18MnW to be Mg14MnW" +mp-1028073,Mg14MnW,-2.501343545,0.2814105939,0.2918362178,0.2918362178,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-W, expected Mg26MnW to be Mg14MnW" +mp-1022955,Mg6MnW,-3.606527725,0.3587005028,0.3676367518,0.3676367518,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-W, expected Mg12MnW to be Mg6MnW" +mp-1022960,Mg6MnW,-3.6593191806,0.3059090471,0.3148452962,0.3148452962,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-W, expected Mg12MnW to be Mg6MnW" +mp-1247089,MgMnWS4,-6.7333833507000005,-0.9810654879,0.2220230929,0.2220230929,GGA,Imm2,ABC4D_oI28_44_ab_c_2c2d_d:Mg-Mn-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_ab_c_3c4d_d:Mg-Mn-S-W, expected MgMnWS7 to be MgMnWS4" +mp-22034,PrFePO,-7.4993892125,-1.5966596668,0.4278470545,0.4278470545,GGA+U,P4/nmm,ABCD_tP8_129_a_b_c_c:Fe-O-P-Pr,8.0,ABCD_tP8_129_a_b_c_c:Fe-O-P-Pr +mp-1191863,Pr2Fe12P7,-7.7392524552,-0.6394818087,0.0,-0.0202661252,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Pr,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Pr +mp-16430,Pr(FeP3)4,-6.6874336029,-0.5921029750000001,0.0,-0.0135992411,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-Pr,17.0,A4B12C_cI34_204_c_g_a:Fe-P-Pr +mp-1209716,Pr2FeP2O,-5.5611331183,0.0730546224,1.9261501847,1.9261501847,GGA+U,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Fe-O-P-Pr,6.0,ABC2D2_tP6_123_a_b_g_g:Fe-O-P-Pr +mp-1205943,Cu(IN3)2,-3.9668587122,2.3736867233,2.6428393386,2.6428393386,GGA,I4/mmm,AB2C6_tI18_139_a_d_eh:Cu-I-N,9.0,AB2C6_tI18_139_a_d_eh:Cu-I-N +mp-1205922,Cu(IN3)2,-3.9150363433,2.4255090922,2.6946617075,2.6946617075,GGA,Fm-3m,AB2C6_cF36_225_a_c_e:Cu-I-N,9.0,AB2C6_cF36_225_a_c_e:Cu-I-N +mp-1079602,Cu(IN)4,-3.8332977056,0.9821080467,1.2214519057,1.2214519057,GGA,C2/m,AB4C4_mC18_12_a_2i_j:Cu-I-N,9.0,AB4C4_mC18_12_a_2i_j:Cu-I-N +mp-28584,Tl2CuI3,-2.9207423729,-0.7133103707,0.0067431813,0.0067431813,GGA,Pnnm,AB3C2_oP24_58_g_e2g_h:Cu-I-Tl,24.0,AB3C2_oP24_58_g_e2g_h:Cu-I-Tl +mp-731600,Tl2Cu(I2N)4,-3.966194391,-0.3690341601,0.1259840773,0.1259840773,GGA,P2_1/c,AB8C4D2_mP30_14_a_4e_2e_e:Cu-I-N-Tl,30.0,AB8C4D2_mP30_14_a_4e_2e_e:Cu-I-N-Tl +mp-1181714,Cu3(IN)4,-4.3328822618,0.3523054755,0.6777323286,0.6777323286,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N,11.0,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N +mp-1181845,Cu3(IN)4,-4.9992639882,-0.3140762509,0.0113506023,0.0113506023,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N,11.0,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N +mp-726771,Cu3(IN)4,-4.7992715436,-0.1140838064,0.2113430468,0.2113430468,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N,11.0,A3B4C4_aP11_2_ai_2i_2i:Cu-I-N +mp-1217661,Tb5Si2BO13,-8.716764921,-3.716345322,0.0,-0.0060944093,GGA,Pm,AB13C2D5_mP42_6_2a_7a7b6c_a3b_3a3b2c:B-O-Si-Tb,42.0,"Invalid WP multiplicities - AB13C2D5_mP42_6_2a_7a7b12c_a3b_3a3b3c:B-O-Si-Tb, expected Tb6Si2BO19 to be Tb5Si2BO13" +mp-1112494,K2NbAuF6,-5.276321651,-2.5698357771,0.3737271102,0.3737271102,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Nb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Nb +mp-16472,YbTlS2,-4.39850224,-1.3547144499,0.1480968433,0.1480968433,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Tl-Yb,,A2BC_hR12_166_c_a_b:S-Tl-Yb +mp-1207344,Yb3TlS6,-2.854681391,0.3253353278,2.01203753,2.01203753,GGA,Cmmm,A6BC3_oC20_65_kp_a_de:S-Tl-Yb,,A6BC3_oC20_65_kp_a_de:S-Tl-Yb +mp-1207925,YbTlS2O9,-6.2816712108,-1.9204904753,0.0783532518,0.0783532518,GGA,P2_1/c,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Yb,,A9B2CD_mP52_14_9e_2e_e_e:O-S-Tl-Yb +mp-989592,Sr6Sn2NF,-4.049970947,-1.2095631148,0.0,-0.0178118322,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_e:F-N-Sn-Sr,10.0,ABC2D6_cF40_225_a_b_c_e:F-N-Sn-Sr +mp-1209832,Nd3Cu4(P2O)2,-6.2524685962,-1.4641719479,0.0,-0.026287714,GGA,I4/mmm,A4B3C2D4_tI26_139_g_ae_d_2e:Cu-Nd-O-P,13.0,A4B3C2D4_tI26_139_g_ae_d_2e:Cu-Nd-O-P +mp-1028327,LaMg14V,-2.1852804719,0.0912091453,0.1376951659,0.1376951659,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-V, expected LaMg18V to be LaMg14V" +mp-1028318,LaMg14V,-2.1653268312,0.1111627859,0.1576488065,0.1576488065,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-V, expected LaMg26V to be LaMg14V" +mp-1021692,LaMg6V,-2.7613819687000003,0.1913172156,0.2652065203,0.2652065203,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-V, expected LaMg12V to be LaMg6V" +mp-1021700,LaMg6V,-2.7627610212,0.1899381631,0.2638274678,0.2638274678,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-V, expected LaMg12V to be LaMg6V" +mp-1247070,LaMgVS4,-6.2200937214,-1.6249519082,0.1990982752,0.1990982752,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:La-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:La-Mg-S-V, expected LaMgVS12 to be LaMgVS4" +mp-1247341,LaMg2V3S8,-6.33297502,-1.4415547093,0.1640254906,0.1640254906,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:La-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:La-Mg-S-V, expected LaMg2V3S16 to be LaMg2V3S8" +mp-1246560,La3Mg2VS8,-6.1528115586,-1.8539482429,0.188571924,0.188571924,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:La-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:La-Mg-S-V, expected La3Mg2VS22 to be La3Mg2VS8" +mp-1197022,CrB2(PbO2)6,-6.9055405992,-1.9223035531,0.0009535369,0.0009535369,GGA+U,Pnma,A2BC12D6_oP84_62_d_c_4c4d_2c2d:B-Cr-O-Pb,84.0,A2BC12D6_oP84_62_d_c_4c4d_2c2d:B-Cr-O-Pb +mp-21100,CrBPbO4,-8.0324087496,-2.3421457274,0.0,-0.0249801594,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:B-Cr-O-Pb,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_2c2d_c:B-Cr-O-Pb, expected CrBPbO6 to be CrBPbO4" +mp-20524,Sc2VB2Ir5,-8.696984899,-0.7670050268,0.0278399078,0.0278399078,GGA,P4/mbm,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-V,20.0,A2B5C2D_tP20_127_g_cj_g_a:B-Ir-Sc-V +mp-2218939,Sm2MgV2O8,-8.3574213385,-3.0667464038,0.1257904398,0.1257904398,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sm-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-Sm-V, expected Sm2MgV2O16 to be Sm2MgV2O8" +mp-2219257,Sm2MgV2O8,-8.2932219569,-3.0025470223,0.1899898213,0.1899898213,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sm-V,13.0,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sm-V +mp-1233424,Sm4MgV4O12,-8.45438583,-2.9224566202,0.2547266385,0.2547266385,GGA+U,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-V,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-V +mp-1233706,Sm4MgV4O12,-8.5035899429,-2.9716607331,0.2055225257,0.2055225257,GGA+U,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-V,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Mg-O-Sm-V +mp-12985,PrCo2B2C,-7.268410635,-0.3375789051,0.0598480781,0.0598480781,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Pr,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Pr +mp-1204863,LaB5BrO11,-7.6631592475,-2.4242942412,0.1777577882,0.1777577882,GGA,P2_1/c,A5BCD11_mP72_14_5e_e_e_11e:B-Br-La-O,72.0,A5BCD11_mP72_14_5e_e_e_11e:B-Br-La-O +mp-21542,K2CeTa5O15,-9.5064166713,-3.348020764,0.0,-0.0217549634,GGA,P4/mbm,AB2C15D5_tP46_127_a_g_dhi2j_cj:Ce-K-O-Ta,46.0,"Invalid WP multiplicities - AB2C15D5_tP46_127_a_g_2d3h7i12j_2c2j:Ce-K-O-Ta, expected K2CeTa10O84 to be K2CeTa5O15" +mp-1221359,Na2W3SeO14,-7.343847749,-1.6303980134,0.299387212,0.299387212,GGA+U,Cc,A2B14CD3_mC80_9_2a_14a_a_3a:Na-O-Se-W,40.0,"Invalid WP multiplicities - A2B14CD3_mC80_9_4a_26a_a_6a:Na-O-Se-W, expected Na4W6SeO26 to be Na2W3SeO14" +mp-1196529,Na6W6Se2O25,-7.6364848082,-2.0892290678,0.0,-0.0043106662,GGA+U,C2,A6B25C2D6_mC156_5_6c_25c_2c_6c:Na-O-Se-W,78.0,A6B25C2D6_mC156_5_6c_25c_2c_6c:Na-O-Se-W +mp-13811,Ba2MgUO6,-8.102004258,-3.4610270372,0.0,-0.0840002013,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-U +mp-8969,Mg2Ni3P,-4.8091518583,-0.4834397506,0.0,-0.0418925743,GGA,R-3m,A2B3C_hR18_166_c_d_a:Mg-Ni-P,6.0,A2B3C_hR18_166_c_d_a:Mg-Ni-P +mp-14842,Mg3(Ni10P3)2,-5.754373669,-0.4825326762,0.0,-0.0557962767,GGA,Fm-3m,A3B20C6_cF116_225_ac_fh_e:Mg-Ni-P,29.0,"Invalid WP multiplicities - A3B20C6_cF116_225_ac_3f3h_e:Mg-Ni-P, expected Mg(Ni10P)2 to be Mg3(Ni10P3)2" +mp-675651,MgPS3,-4.94403728,-1.0594508485,0.0,-0.0831775883,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-P-S,10.0,ABC3_mC20_12_g_i_ij:Mg-P-S +mp-17942,MgNi2P,-5.2073581256,-0.5638941465,0.0,-0.0320527311,GGA,Pnma,AB2C_oP16_62_c_d_c:Mg-Ni-P,16.0,AB2C_oP16_62_c_d_c:Mg-Ni-P +mp-1210655,Mg5Ni9P7,-5.252039671,-0.5893850083000001,0.0,-0.0328608203,GGA,P-6,A5B9C7_hP21_174_adj_j2k_fjk:Mg-Ni-P,21.0,A5B9C7_hP21_174_adj_j2k_fjk:Mg-Ni-P +mp-2241116,MgNi4(PS)4,-5.3206399254,-0.4806525204,0.2378029915,0.2378029915,GGA,P1,AB4C4D4_aP13_1_a_4a_4a_4a:Mg-Ni-P-S,13.0,AB4C4D4_aP13_1_a_4a_4a_4a:Mg-Ni-P-S +mp-2241108,MgNi4(PS)4,-5.1672659185,-0.3272785135,0.3911769984,0.3911769984,GGA,P1,AB4C4D4_aP13_1_a_4a_4a_4a:Mg-Ni-P-S,13.0,"Invalid WP multiplicities - AB4C4D4_hR39_146_a_a2b_a2b_a2b:Mg-Ni-P-S, expected MgNi7(PS)7 to be MgNi4(PS)4" +mp-1201354,PrBr5N2,-3.9219891762,-0.2696095194,0.9167885881,0.9167885881,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-N-Pr,32.0,A5B2C_oP32_62_3cd_d_c:Br-N-Pr +mp-554459,Pr6S4BrN3,-7.19937268,-2.071247887,0.0,-0.0358982577,GGA,Pnma,AB3C6D4_oP56_62_c_3c_6c_4c:Br-N-Pr-S,56.0,"Invalid WP multiplicities - AB3C6D4_oP56_62_c_10c_20c_12c:Br-N-Pr-S, expected Pr20S12BrN10 to be Pr6S4BrN3" +mp-1221737,MnFe3P2,-8.064397855,-0.4979505324,0.0096176535,0.0096176535,GGA,Pm,A3BC2_mP18_6_3a6b_3a_2a4b:Fe-Mn-P,18.0,A3BC2_mP18_6_3a6b_3a_2a4b:Fe-Mn-P +mp-1221626,MnFeP2,-7.7093747425,-0.5947143636000001,0.0126621238,0.0126621238,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Fe-Mn-P,8.0,ABC2_oP8_26_a_b_ab:Fe-Mn-P +mp-1221794,Mn4Fe2P3,-8.2169820222,-0.4583141213,0.0841897513,0.0841897513,GGA,Amm2,A2B4C3_oC18_38_d_abe_ae:Fe-Mn-P,9.0,A2B4C3_oC18_38_d_abe_ae:Fe-Mn-P +mp-1101988,MnFeP,-8.2385995975,-0.5568199279,0.0,-0.053562319,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Mn-P,12.0,ABC_oP12_62_c_c_c:Fe-Mn-P +mp-1221749,Mn3FeP4,-7.8025904425,-0.6014308034,0.0104224494,0.0104224494,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Fe-Mn-P,8.0,AB3C4_mP8_6_a_a2b_2a2b:Fe-Mn-P +mp-12633,Mn5B2P,-8.5535203731,-0.4807500595,0.0,-0.014093717,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Mn-P,16.0,"Invalid WP multiplicities - A2B5C_tI32_140_h_c2l_a:B-Mn-P, expected Mn9B2P to be Mn5B2P" +mp-1221826,Mn3Fe9P4,-8.1693463206,-0.3337558961,0.0681299503,0.0681299503,GGA,P1,A9B3C4_aP16_1_9a_3a_4a:Fe-Mn-P,16.0,A9B3C4_aP16_1_9a_3a_4a:Fe-Mn-P +mp-1221372,Mn6BP,-8.6916615313,-0.3085632775,0.0329840432,0.0329840432,GGA,C2,AB6C_mC32_5_c_6c_c:B-Mn-P,16.0,AB6C_mC32_5_c_6c_c:B-Mn-P +mp-1105388,MnFe4B2P,-8.1312829763,-0.4045097037,0.0144945278,0.0144945278,GGA,I4/mcm,A2B4CD_tI32_140_h_l_c_a:B-Fe-Mn-P,16.0,A2B4CD_tI32_140_h_l_c_a:B-Fe-Mn-P +mp-1206366,MnFe2P,-8.119512665,-0.2406726103,0.1769423356,0.1769423356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Mn-P,4.0,A2BC_cF16_225_c_a_b:Fe-Mn-P +mp-1201032,Sn4Ge(H3C)12,-4.876688579,-0.0928501109,0.1231319735,0.1231319735,GGA,P-1,A12BC36D4_aP106_2_12i_i_36i_4i:C-Ge-H-Sn,106.0,A12BC36D4_aP106_2_12i_i_36i_4i:C-Ge-H-Sn +mp-14552,Ba2SrUO6,-8.160248024,-3.5103494629,0.0,-0.0889665604,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ba-O-Sr-U,20.0,A2B6CD_mP20_14_e_3e_a_b:Ba-O-Sr-U +mp-1079113,Ba2SrUO6,-8.151247118,-3.5013485569,0.009000906,-0.0799656544,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-U,10.0,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-U +mp-1095167,Ba2SrUO6,-8.089674314,-3.4397757529,0.07057371,-0.0183928504,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sr-U,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sr-U +mp-559427,BaSr4U3O14,-8.7207356427,-3.6386983363,0.0,-0.0081941015,GGA,Cmce,AB14C4D3_oC88_64_a_f3g_ef_bc:Ba-O-Sr-U,44.0,"Invalid WP multiplicities - AB14C4D3_oC88_64_a_3f15g_2ef_bc:Ba-O-Sr-U, expected BaSr6U3O66 to be BaSr4U3O14" +mp-1227809,BaSr2UO6,-8.1386416705,-3.5116912581,0.0112616295,0.0112616295,GGA,Pc,AB6C2D_mP20_7_a_6a_2a_a:Ba-O-Sr-U,20.0,AB6C2D_mP20_7_a_6a_2a_a:Ba-O-Sr-U +mp-1209534,Sr3Sm2(BO3)4,-8.1452505998,-3.3555608737,0.0063141,0.0063141,GGA,Pna2_1,A4B12C2D3_oP84_33_4a_12a_2a_3a:B-O-Sm-Sr,84.0,A4B12C2D3_oP84_33_4a_12a_2a_3a:B-O-Sm-Sr +mp-1217758,SrSmB12,-6.6438381493000005,-0.4609252323,0.0,-0.0082346086,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Sm-Sr,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Sm-Sr, expected SrSmB32 to be SrSmB12" +mp-1236137,LiY4(BiO3)4,-7.4680103943,-2.5871995193,0.1851452638,0.1851452638,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Li-O-Y,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Li-O-Y +mp-1235167,LiY4(BiO3)4,-7.4553463962,-2.5745355212,0.1978092619,0.1978092619,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Bi-Li-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Bi-Li-O-Y, expected LiY4(BiO3)6 to be LiY4(BiO3)4" +mp-1018782,Li3YBi2,-3.9947312733,-0.6823616111,0.0,-0.0162376417,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Bi-Li-Y,6.0,A2B3C_hP6_164_d_ad_b:Bi-Li-Y +mp-684017,Y2Te4O11,-6.9934501241,-2.2922888521,0.0026529261,0.0026529261,GGA,C2/c,A11B4C2_mC68_15_e5f_2f_f:O-Te-Y,34.0,"Invalid WP multiplicities - A11B4C2_mC68_15_2e18f_6f_f:O-Te-Y, expected YTe6O19 to be Y2Te4O11" +mp-771238,Y2TeO6,-8.0552919169,-2.9712496517,0.0345061253,-0.0781168047,GGA,P2/c,A6BC2_mP36_13_6g_g_efg:O-Te-Y,36.0,"Invalid WP multiplicities - A6BC2_mP36_13_23g_g_ef2g:O-Te-Y, expected Y3TeO23 to be Y2TeO6" +mp-768519,Y2TeO6,-8.0182906403,-2.934248375,0.0715074019,-0.0411155281,GGA,C2/c,A6BC2_mC72_15_6f_f_2ef:O-Te-Y,36.0,"Invalid WP multiplicities - A6BC2_mC72_15_21f_f_4e2f:O-Te-Y, expected Y4TeO21 to be Y2TeO6" +mp-17066,Y2TeO6,-8.0897980422,-3.0057557769,0.0,-0.11262293,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-Te-Y,36.0,A6BC2_oP36_19_6a_a_2a:O-Te-Y +mp-755549,Y2TeO6,-8.0228504172,-2.9388081519,0.066947625,-0.045675305,GGA,P4_2/mnm,A6BC2_tP18_136_fj_a_e:O-Te-Y,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_2f3j_a_e:O-Te-Y, expected Y2TeO16 to be Y2TeO6" +mp-755317,Y2TeO6,-8.0840194974,-2.9999772321,0.0057785448,-0.1068443852,GGA,P321,A6BC2_hP27_150_3g_ad_ef:O-Te-Y,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_15g_a2d_3e2f:O-Te-Y, expected Y3TeO18 to be Y2TeO6" +mp-554852,Y2Te5O13,-6.8350385525,-2.1872173055,0.0,-0.0144391544,GGA,P-1,A13B5C2_aP40_2_13i_5i_2i:O-Te-Y,40.0,"Invalid WP multiplicities - A13B5C2_aP40_2_23i_10i_2i:O-Te-Y, expected Y2Te10O23 to be Y2Te5O13" +mp-754359,Y6TeO12,-8.8776790032,-3.5459738922,0.0,-0.0318351275,GGA,R-3,A12BC6_hR57_148_2f_a_f:O-Te-Y,19.0,"Invalid WP multiplicities - A12BC6_hR57_148_7f_a_f:O-Te-Y, expected Y6TeO42 to be Y6TeO12" +mp-755756,Y2TeO2,-8.48651548,-3.2925903715,0.0,-0.0828182303,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:O-Te-Y,5.0,A2BC2_tI10_139_d_a_e:O-Te-Y +mp-1105234,YCrTeO6,-7.9745570294,-2.5364507245,0.0,-0.0219770025,GGA+U,P-31c,AB6CD_hP18_163_c_i_d_b:Cr-O-Te-Y,18.0,AB6CD_hP18_163_c_i_d_b:Cr-O-Te-Y +mp-1207609,YCrTeO6,-7.7141715044,-2.2760651995,0.260385525,0.2384085225,GGA+U,P-31c,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Y,18.0,AB6CD_hP18_163_b_i_c_d:Cr-O-Te-Y +mp-1213943,Cd5Si2PO12,-6.1872761485,-2.1753435534,0.0438266662,0.0438266662,GGA,Pnma,A5B12CD2_oP80_62_c2d_2c5d_c_d:Cd-O-P-Si,80.0,A5B12CD2_oP80_62_c2d_2c5d_c_d:Cd-O-P-Si +mp-757428,Cd2Si(P2O7)2,-7.1994430783,-2.5243026243,0.039748491,0.0358576349,GGA,C2/c,A2B14C4D_mC84_15_f_7f_2f_e:Cd-O-P-Si,42.0,"Invalid WP multiplicities - A2B14C4D_mC84_15_f_27f_7f_e:Cd-O-P-Si, expected Cd2Si(P7O27)2 to be Cd2Si(P2O7)2" +mp-541108,Cd2Si(P2O7)2,-7.2391915693,-2.5640511153,0.0,-0.0038908561,GGA,C2/c,A2B14C4D_mC84_15_f_7f_2f_e:Cd-O-P-Si,42.0,A2B14C4D_mC84_15_f_7f_2f_e:Cd-O-P-Si +mp-1227191,Cd5Si(PO6)2,-6.2418539161,-2.2305220972,0.0132490351,0.0132490351,GGA,P2_12_12_1,A5B12C2D_oP80_19_5a_12a_2a_a:Cd-O-P-Si,80.0,A5B12C2D_oP80_19_5a_12a_2a_a:Cd-O-P-Si +mp-4666,CdSiP2,-4.4905981337,-0.1968949329,0.0,-0.0836699875,GGA,I-42d,AB2C_tI16_122_a_d_b:Cd-P-Si,8.0,AB2C_tI16_122_a_d_b:Cd-P-Si +mp-1008472,CdSiP2,-3.6935127025,0.6001904983,0.7970854312000001,0.7134154438,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cd-P-Si,4.0,AB2C_cF16_225_a_c_b:Cd-P-Si +mp-866651,KSiBiS4,-4.9306262982,-1.0846255019,0.0,-0.0479818275,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Bi-K-S-Si,28.0,ABC4D_mP28_14_e_e_4e_e:Bi-K-S-Si +mp-1226658,K19Ti3Sb29O88,-6.3977496027,-2.0823992531,0.0173918609,0.0173918609,GGA,P1,A19B88C29D3_aP139_1_19a_88a_29a_3a:K-O-Sb-Ti,139.0,A19B88C29D3_aP139_1_19a_88a_29a_3a:K-O-Sb-Ti +mp-675601,Al3NO3,-7.771565457899999,-2.8553813795,0.0453851821,0.0453851821,GGA,Pnma,A3BC3_oP28_62_a2c_c_cd:Al-N-O,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_3a6c_c_2c3d:Al-N-O, expected Al9NO8 to be Al3NO3" +mp-1228939,Al3NO3,-7.7686265379,-2.8524424595,0.0483241021,0.0483241021,GGA,R-3m,A3BC3_hR42_166_acd_c_h:Al-N-O,14.0,A3BC3_hR42_166_acd_c_h:Al-N-O +mp-675472,Al17(NO7)3,-7.8122066788,-3.1155057807,0.0421133773,0.0421133773,GGA,P1,A17B3C21_aP41_1_17a_3a_21a:Al-N-O,41.0,A17B3C21_aP41_1_17a_3a_21a:Al-N-O +mp-10881,Ce3AlN,-6.804772998,-0.828505354,0.0,-0.017656893,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Ce-N,5.0,AB3C_cP5_221_a_c_b:Al-Ce-N +mp-1183036,Al(NO6)3,-5.6130219506,-0.2586829775,0.4513075554,0.4513075554,GGA,P2_1/c,AB3C18_mP88_14_e_3e_18e:Al-N-O,88.0,AB3C18_mP88_14_e_3e_18e:Al-N-O +mp-1204227,Al(NO6)3,-5.3401971512,0.0141418218,0.7241323547,0.7241323547,GGA,P2_1/c,AB3C18_mP88_14_e_3e_18e:Al-N-O,88.0,AB3C18_mP88_14_e_3e_18e:Al-N-O +mp-1215122,Al(NO6)3,-5.0205422905,0.3337966826,1.0437872155,1.0437872155,GGA,P2_1/c,AB3C18_mP88_14_ad_3e_18e:Al-N-O,88.0,AB3C18_mP88_14_ad_3e_18e:Al-N-O +mp-1214955,Al11NO17,-7.6278398298,-3.0198557903,0.2645362803,0.2645362803,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Al-N-O,58.0,A11BC17_hP58_194_a2fk_c_def2k:Al-N-O +mp-675682,Al11NO15,-7.8315168533,-3.2486220487,0.042179937,0.042179937,GGA,P1,A11BC15_aP27_1_11a_a_15a:Al-N-O,27.0,A11BC15_aP27_1_11a_a_15a:Al-N-O +mp-1025275,Ce2AlNO3,-8.5859687114,-3.0447808259,0.1011604202,0.1011604202,GGA,I4mm,AB2CD3_tI14_107_a_2a_a_ab:Al-Ce-N-O,7.0,AB2CD3_tI14_107_a_2a_a_ab:Al-Ce-N-O +mp-21791,V2Fe3(SiO4)3,-8.4459033578,-2.485198638,0.0925306159,0.0925306159,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Fe-O-Si-V,80.0,A3B12C3D2_cI160_230_c_h_d_a:Fe-O-Si-V +mp-14835,Nd4Si2S3O7,-8.0569385058,-3.2469762327,0.0,-0.0273902605,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Nd-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Nd-O-S-Si +mp-1206427,KRb2CuF6,-4.431940112,-2.5679853553000003,0.0,-0.0766052325,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-K-Rb +mp-1111111,K2LiAuF6,-4.253045716,-2.3657980594,0.099534891,0.099534891,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Li +mp-558932,KNiAs3F18,-4.8995813988,-2.4963417355,0.0086630555,0.0086630555,GGA+U,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Ni,92.0,"Invalid WP multiplicities - A3B18CD_oP92_62_3c3d_16c52d_c_a:As-F-K-Ni, expected KNiAs9F120 to be KNiAs3F18" +mp-1211322,Li2Sm(NO3)5,-6.8395424483,-1.4300103977,0.0,-0.0132318921,GGA,Pnnm,A2B5C15D_oP92_58_h_e2gh_e4g5h_ac:Li-N-O-Sm,92.0,A2B5C15D_oP92_58_h_e2gh_e4g5h_ac:Li-N-O-Sm +mp-728941,ZnPb(IO4)6,-4.5756625034,-0.4340025706,0.3346382414,0.3346382414,GGA,P-1,A6B24CD_aP32_2_3i_12i_a_b:I-O-Pb-Zn,32.0,A6B24CD_aP32_2_3i_12i_a_b:I-O-Pb-Zn +mp-23360,Zn(IO3)2,-4.8343828628,-1.0692041319,0.0,-0.0707642458,GGA,P2_1,A2B6C_mP18_4_2a_6a_a:I-O-Zn,18.0,A2B6C_mP18_4_2a_6a_a:I-O-Zn +mp-1110597,Rb2VAgF6,-5.24361476,-2.7089743577,0.0598934953,0.0598934953,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-V,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-Rb-V +mp-21511,K2NaInP2,-3.2697847617,-0.4161827732,0.0,-0.0443130837,GGA,Ibam,AB2CD2_oI24_72_a_j_b_j:In-K-Na-P,12.0,AB2CD2_oI24_72_a_j_b_j:In-K-Na-P +mp-21577,Na3InP2,-3.2999939871,-0.3756832165,0.0,-0.0739132239,GGA,P2_1/c,AB3C2_mP48_14_2e_6e_4e:In-Na-P,48.0,AB3C2_mP48_14_2e_6e_4e:In-Na-P +mp-1112482,Cs2YTlF6,-5.574858633,-3.3659793521,0.0,-0.0200781638,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Tl-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Tl-Y +mp-24073,Gd(HO)3,-7.7963078136,-2.2113983123,0.0169443532,0.0169443532,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Gd-H-O,14.0,AB3C3_hP14_176_c_h_h:Gd-H-O +mp-625147,GdHO2,-9.7786155763,-2.9380591494,0.0,-0.0221794116,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Gd-H-O,8.0,ABC2_mP8_11_e_e_2e:Gd-H-O +mp-1203437,GdH(SeO4)2,-7.1065225178,-1.7703407736,0.0,-0.1888494844,GGA,Pbca,ABC8D2_oP96_61_c_c_8c_2c:Gd-H-O-Se,96.0,ABC8D2_oP96_61_c_c_8c_2c:Gd-H-O-Se +mp-1207092,GdHSe,-8.6449013133,-1.6566480591,0.0,-0.1300793045,GGA,P-6m2,ABC_hP3_187_a_c_f:Gd-H-Se,3.0,ABC_hP3_187_a_c_f:Gd-H-Se +mp-1203325,Sm2Ge(BO4)2,-8.3385520452,-3.1852833254,0.0,-0.0150952472,GGA,Pbcn,A2BC8D2_oP52_60_d_c_4d_d:B-Ge-O-Sm,52.0,A2BC8D2_oP52_60_d_c_4d_d:B-Ge-O-Sm +mp-560328,Ag15P4S16Cl3,-4.062214612,-0.4866788771,0.0,-4.36286e-05,GGA,I-43d,A15B3C4D16_cI152_220_ae_b_c_ce:Ag-Cl-P-S,76.0,"Invalid WP multiplicities - A15B3C4D16_cI152_220_5a5e_b_c_6c7e:Ag-Cl-P-S, expected Ag75P4(S36Cl)3 to be Ag15P4S16Cl3" +mp-559847,Ag5P(S2Cl)2,-3.8665948225,-0.5483485466,0.0,-0.0101689328,GGA,Amm2,A5B2CD4_oC24_38_af_d_b_ce:Ag-Cl-P-S,12.0,"Invalid WP multiplicities - A5B2CD4_oC24_38_a2f_d_b_ce:Ag-Cl-P-S, expected Ag9P(S2Cl)2 to be Ag5P(S2Cl)2" +mp-1192841,YbWBrO4,-7.4464398482,-2.3267938932,0.015227665,0.015227665,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-W-Yb,,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-W-Yb +mp-1214441,BaTl(PO3)3,-7.3680684427,-2.7222310135,0.0023452652,0.0023452652,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Ba-O-P-Tl,56.0,AB9C3D_oP56_19_a_9a_3a_a:Ba-O-P-Tl +mp-727096,BaTlP3O11,-6.9315151103,-2.2480712709,0.2023674977,0.2023674977,GGA,P2_1/c,AB11C3D_mP64_14_e_11e_3e_e:Ba-O-P-Tl,64.0,AB11C3D_mP64_14_e_11e_3e_e:Ba-O-P-Tl +mp-28345,Zr6CI12,-5.3403248579,-1.2247845699,0.0023934832,0.0023934832,GGA,R-3,AB12C6_hR57_148_a_2f_f:C-I-Zr,19.0,AB12C6_hR57_148_a_2f_f:C-I-Zr +mp-28344,Zr6CI14,-5.1458344238,-1.2819297489,0.0,-0.045693491,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:C-I-Zr,42.0,"Invalid WP multiplicities - AB14C6_oC84_64_a_def3g_fg:C-I-Zr, expected Zr6CI18 to be Zr6CI14" +mp-1209204,RbZr6CI14,-5.0316797825,-1.2988374077,0.0,-0.0006191789,GGA,Cmce,AB14CD6_oC88_64_a_def2g_b_fg:C-I-Rb-Zr,44.0,AB14CD6_oC88_64_a_def2g_b_fg:C-I-Rb-Zr +mp-21667,CeZn(BO2)5,-8.1937311219,-2.8962794318,0.0202701626,0.0202701626,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Ce-O-Zn,68.0,"Invalid WP multiplicities - A5BC10D_mP68_14_17e_e_36e_e:B-Ce-O-Zn, expected CeZnB17O36 to be CeZn(BO2)5" +mp-562349,Co3B7BrO13,-7.9776477401,-2.3967861836,0.0768898779,0.0768898779,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Br-Co-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_27a_a_6a_51a:B-Br-Co-O, expected Co6B27BrO51 to be Co3B7BrO13" +mp-561132,K2Ge2PbS6,-4.6422751527,-1.0060751641,0.0,-0.0082505007,GGA,C2/c,A2B2CD6_mC44_15_f_f_e_3f:Ge-K-Pb-S,22.0,"Invalid WP multiplicities - A2B2CD6_mC44_15_f_f_e_9f:Ge-K-Pb-S, expected K2Ge2PbS18 to be K2Ge2PbS6" +mp-1196015,Cs2PAuS4,-4.4213481153,-1.0433745255,0.0,-0.0611175003,GGA,Pbcm,AB2CD4_oP32_57_c_2d_d_2de:Au-Cs-P-S,32.0,AB2CD4_oP32_57_c_2d_d_2de:Au-Cs-P-S +mp-1190957,GdCrB4,-9.0356920592,-0.6279025936,0.0,-0.0581032461,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Gd,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Gd +mp-1105604,GdCr3(BO3)4,-9.2921994775,-2.8365446641,0.0040652318,0.0040652318,GGA+U,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Cr-Gd-O,20.0,A4B3CD12_hR60_155_ad_e_b_2df:B-Cr-Gd-O +mp-1043302,ZnGe2WO6,-7.1479863177,-1.833580136,0.0966181607,0.0966181607,GGA+U,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-W-Zn,40.0,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-W-Zn +mp-1043347,ZnGe2WO6,-7.0921681655,-1.7777619837,0.152436313,0.152436313,GGA+U,C2/c,A2B6CD_mC40_15_f_3f_e_e:Ge-O-W-Zn,20.0,A2B6CD_mC40_15_f_3f_e_e:Ge-O-W-Zn +mp-1364109,Zn3Ge3(WO6)2,-6.9201337407,-1.7738917712000002,0.1863411955,0.1863411955,GGA+U,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-W-Zn,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-W-Zn +mp-1217882,VSi3Bi61O100,-6.3325718232,-1.7610653492,0.0130024567,0.0130024567,GGA+U,R3,A61B100C3D_hR495_146_a20b_10a30b_3a_a:Bi-O-Si-V,165.0,"Invalid WP multiplicities - A61B100C3D_hR495_146_a60b_10a88b_3a_a:Bi-O-Si-V, expected VSi3Bi181O274 to be VSi3Bi61O100" +mp-1209542,Rb2Ni(PS3)2,-4.8519946891,-0.9077665946,0.0324927428,0.0324927428,GGA,P2_1/c,AB2C2D6_mP22_14_a_e_e_3e:Ni-P-Rb-S,22.0,AB2C2D6_mP22_14_a_e_e_3e:Ni-P-Rb-S +mp-1205511,Rb2NiP2,-4.149822314,-0.4362603463,0.0,-0.0730250648,GGA,Cmcm,AB2C2_oC20_63_a_g_2c:Ni-P-Rb,10.0,AB2C2_oC20_63_a_g_2c:Ni-P-Rb +mp-1079718,Rb2Ni3S4,-4.9307077578000005,-0.9476769075,0.0,-0.1144651674,GGA,Fmmm,A3B2C4_oF36_69_ac_g_n:Ni-Rb-S,9.0,A3B2C4_oF36_69_ac_g_n:Ni-Rb-S +mp-1245547,CrTeN,-7.27158116,-0.2272983972,0.2802831364,0.2802831364,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cr-N-Te,6.0,ABC_tP6_129_c_a_c:Cr-N-Te +mp-1246725,Cr4Te3N2,-7.5456349969,-0.3550686181,0.2113999786,0.2113999786,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Cr-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Cr-N-Te +mp-1227857,Cr2Te2N2O15,-5.9056105271,-0.3596092297,0.9784449884,0.9784449884,GGA+U,P1,A2B2C15D2_aP21_1_2a_2a_15a_2a:Cr-N-O-Te,21.0,A2B2C15D2_aP21_1_2a_2a_15a_2a:Cr-N-O-Te +mp-1193058,KSbC6Br5,-5.0952086735,0.1645247721,0.8400819905,0.8400819905,GGA,P2_12_12,A5B6CD_oP26_18_a2c_2a2c_b_a:Br-C-K-Sb,26.0,A5B6CD_oP26_18_a2c_2a2c_b_a:Br-C-K-Sb +mp-1223943,K5C4Br,-2.988446462,1.4135220415,1.843297901,1.843297901,GGA,I4/m,AB4C5_tI20_87_a_h_bh:Br-C-K,10.0,AB4C5_tI20_87_a_h_bh:Br-C-K +mp-20109,Th2NiB10,-7.3206430038,-0.5974298586,0.0,-0.0665842483,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Ni-Th,26.0,"Invalid WP multiplicities - A10BC2_oP26_55_4gi_a_h:B-Ni-Th, expected Th2NiB12 to be Th2NiB10" +mp-1206327,Th2NiC2,-8.193811314,-0.380774481,0.0,-0.0571492222,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Ni-Th,5.0,A2BC2_tI10_139_e_a_e:C-Ni-Th +mp-1025034,ThNi2B2C,-7.4206517117,-0.4937216043,0.0,-0.0479101674,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Th,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Th +mp-736931,Ga(W3O10)4,-8.6255186908,-1.9011185543,0.190985442,0.190985442,GGA+U,Cm,AB40C12_mC106_8_a_8a16b_2a5b:Ga-O-W,53.0,AB40C12_mC106_8_a_8a16b_2a5b:Ga-O-W +mp-727445,Ga(W3O10)4,-8.6273452115,-1.902945075,0.1891589212,0.1891589212,GGA+U,I-43m,AB40C12_cI106_217_a_c3g_g:Ga-O-W,53.0,AB40C12_cI106_217_a_c3g_g:Ga-O-W +mp-1026472,Mg14GaW,-2.2727775194,0.1266066652,0.1739482876,0.1739482876,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-W, expected Mg18GaW to be Mg14GaW" +mp-1026453,Mg14GaW,-2.2846451369,0.1147390477,0.1620806701,0.1620806701,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-W, expected Mg26GaW to be Mg14GaW" +mp-1017034,Mg6GaW,-2.9752512894,0.2232370297,0.2912396725,0.2912396725,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-W, expected Mg12GaW to be Mg6GaW" +mp-1017063,Mg6GaW,-2.9656198738,0.2328684453,0.3008710881,0.3008710881,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-W, expected Mg12GaW to be Mg6GaW" +mp-1234217,MgGa4(WO6)2,-7.3780884142,-2.1681310913,0.1592063616,0.1592063616,GGA+U,P2,A4BC12D2_mP19_3_2b2c_a_6e_bc:Ga-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_3_2a2b_c_12e_ab:Ga-Mg-O-W, expected MgGa4(WO12)2 to be MgGa4(WO6)2" +mp-2220703,MgGa4(WO6)2,-7.2096262253,-1.9996689024,0.3276685505,0.3276685505,GGA+U,Amm2,A4BC12D2_oC38_38_2c_a_2b2cdf_ab:Ga-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_oC38_38_2c_a_2b2c2df_ab:Ga-Mg-O-W, expected MgGa4(WO7)2 to be MgGa4(WO6)2" +mp-2231422,MgGa4(WO6)2,-7.3121033242,-2.1021460013,0.2251914516,0.2251914516,GGA+U,Amm2,A4BC12D2_oC38_38_2c_a_2b2cdf_ab:Ga-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_oC38_38_2c_a_2b2c2df_ab:Ga-Mg-O-W, expected MgGa4(WO7)2 to be MgGa4(WO6)2" +mp-1233523,MgGa4(WO6)2,-7.3750158668,-2.1650585439,0.1622789089,0.1622789089,GGA+U,P-4,A4BC12D2_tP19_81_2g_a_3h_g:Ga-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_tP19_81_4g_a_10h_g:Ga-Mg-O-W, expected MgGa8(WO20)2 to be MgGa4(WO6)2" +mp-770715,Ga2WO6,-7.5516592272,-2.1411642781,0.0939534479,0.0939534479,GGA+U,P2/c,A2B6C_mP36_13_efg_6g_g:Ga-O-W,36.0,"Invalid WP multiplicities - A2B6C_mP36_13_ef2g_23g_g:Ga-O-W, expected Ga3WO23 to be Ga2WO6" +mp-772640,Ga2WO6,-7.5703259692,-2.15983102,0.075286706,0.075286706,GGA+U,C2/c,A2B6C_mC72_15_2ef_6f_f:Ga-O-W,36.0,"Invalid WP multiplicities - A2B6C_mC72_15_4ef_17f_f:Ga-O-W, expected Ga3WO17 to be Ga2WO6" +mp-770692,Ga2WO6,-7.6009377722,-2.1904428231,0.0446749029,0.0446749029,GGA+U,Pbcn,A2B6C_oP36_60_2c_3d_c:Ga-O-W,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_7c_9d_c:Ga-O-W, expected Ga7WO18 to be Ga2WO6" +mp-770737,Ga2WO6,-7.5996169117,-2.1891219625,0.0459957635,0.0459957635,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ga-O-W,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Ga-O-W, expected Ga2WO16 to be Ga2WO6" +mp-772174,Ga2(WO4)3,-8.252611811,-2.1178560893,0.0968838018,0.0968838018,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Ga-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c3d:Ga-O-W, expected GaW4O21 to be Ga2(WO4)3" +mp-1341170,Ca2SbWO6,-7.579862618,-2.5020162683,0.1490575663,0.1490575663,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Sb-W,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Ca-O-Sb-W, expected Ca2SbWO16 to be Ca2SbWO6" +mp-1369592,Ca2SbWO6,-7.607936977,-2.5300906272,0.1209832073,0.1209832073,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Sb-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Sb-W +mp-1519302,Ca2SbWO6,-7.284518967,-2.2066726172,0.4444012173,0.4444012173,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-W +mp-1195492,CoCuCO5,-6.8545991841,-1.2083949948,0.1263248038,0.1263248038,GGA+U,P-1,ABCD5_aP32_2_2i_2i_2i_10i:C-Co-Cu-O,32.0,ABCD5_aP32_2_2i_2i_2i_10i:C-Co-Cu-O +mp-505189,SrMo3(PO7)2,-8.16650884,-2.4511743023,0.0,-0.0013351182,GGA+U,P2_1/m,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Sr,40.0,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Sr +mp-1046415,SrMo(PO4)2,-7.9352586792,-2.6906538236,0.0909576659,0.0909576659,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Mo-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Mo-O-P-Sr, expected SrMo(PO7)2 to be SrMo(PO4)2" +mp-1346970,SrMo(PO4)2,-5.5660516633,-0.3214468078,2.4601646818000003,2.4601646818000003,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Mo-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Mo-O-P-Sr, expected SrMo(PO7)2 to be SrMo(PO4)2" +mp-560050,SrMo2(PO4)4,-8.0080017407,-2.6088268241,0.0,-0.002159092,GGA+U,P2_1/c,A2B16C4D_mP46_14_e_8e_2e_a:Mo-O-P-Sr,46.0,"Invalid WP multiplicities - A2B16C4D_mP46_14_e_32e_7e_a:Mo-O-P-Sr, expected SrMo2(P7O32)2 to be SrMo2(PO4)4" +mp-1218119,Ta6Mn(CS2)3,-9.3649302381,-1.0640941912,0.0008562345,0.0008562345,GGA,C2/m,A3BC6D6_mC32_12_ag_d_ij_ij:C-Mn-S-Ta,16.0,"Invalid WP multiplicities - A3BC6D6_mC32_12_a2g_c_2ij_2ij:C-Mn-S-Ta, expected Ta8MnC5S8 to be Ta6Mn(CS2)3" +mp-1208432,Ta3MnS6,-8.2723976835,-1.3169929452,0.0209860802,0.0209860802,GGA,P6_322,AB6C3_hP20_182_c_i_af:Mn-S-Ta,20.0,AB6C3_hP20_182_c_i_af:Mn-S-Ta +mp-3581,Ta4MnS8,-8.2711111604,-1.3722861798,0.0,-0.0398771785,GGA,P6_3/mmc,AB8C4_hP26_194_a_fk_bh:Mn-S-Ta,26.0,"Invalid WP multiplicities - AB8C4_hP26_194_a_f2k_bh:Mn-S-Ta, expected Ta4MnS14 to be Ta4MnS8" +mp-555221,Sr9TmV7O28,-8.0041790561,-3.0758256581,0.0,-0.030047238,GGA+U,R3c,A28B9CD7_hR270_161_a9b_3b_a_a2b:O-Sr-Tm-V,90.0,"Invalid WP multiplicities - A28B9CD7_hR270_161_2a51b_13b_a_2a7b:O-Sr-Tm-V, expected Sr39TmV23O155 to be Sr9TmV7O28" +mp-1214762,Ba6Si6CN14,-7.4973190077,-1.2008244794,0.0378360054,0.0378360054,GGA,P-6,A6BC14D6_hP81_174_3j3k_acf_ghi3j3k3l_3j3k:Ba-C-N-Si,81.0,A6BC14D6_hP81_174_3j3k_acf_ghi3j3k3l_3j3k:Ba-C-N-Si +mp-1190675,BaSiC,-5.3123325287,0.2119869587,0.4798705713,0.4798705713,GGA,Pnma,ABC_oP24_62_2c_d_2c:Ba-C-Si,24.0,ABC_oP24_62_2c_d_2c:Ba-C-Si +mp-1191774,BaSiC,-5.3479590096,0.1763604779,0.4442440905,0.4442440905,GGA,Pnma,ABC_oP24_62_2c_2c_d:Ba-C-Si,24.0,ABC_oP24_62_2c_2c_d:Ba-C-Si +mp-1009828,BaSiC,-4.9385894433,0.5857300442,0.8536136567,0.8536136567,GGA,I4mm,ABC_tI6_107_a_a_a:Ba-C-Si,3.0,ABC_tI6_107_a_a_a:Ba-C-Si +mp-1216409,Zn2Hg3(S2I)2,-2.4792110545,-0.3952964652,0.2996297129,0.2996297129,GGA,C222_1,A3B2C4D2_oC44_20_ac_c_2c_ab:Hg-I-S-Zn,22.0,A3B2C4D2_oC44_20_ac_c_2c_ab:Hg-I-S-Zn +mp-1110863,K2LiYCl6,-4.600354844,-2.4316136606,0.0261364433,0.0261364433,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Li-Y +mp-1113108,Cs2YAuF6,-4.64601246,-2.3460092938,0.8171421753,0.8171421753,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Y,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-Y +mp-1114186,Rb2YInI6,-3.487231439,-1.4852893302,0.0433200975,0.0433200975,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-Rb-Y +mp-1235112,LiDy2(OF)2,-7.0006435457,-3.452238988,0.2389265895,0.2389265895,GGA,R-3m,A2B2CD2_hR21_166_c_c_a_c:Dy-F-Li-O,7.0,A2B2CD2_hR21_166_c_c_a_c:Dy-F-Li-O +mp-1235478,LiDy2(OF)2,-6.8212056,-3.2728010423,0.4183645352,0.4183645352,GGA,R-3m,A2B2CD2_hR21_166_c_c_a_c:Dy-F-Li-O,7.0,A2B2CD2_hR21_166_c_c_a_c:Dy-F-Li-O +mp-651768,CsXe3O3F13,-2.8204805644,-0.7858196847000001,0.1795881058,0.1795881058,GGA,Pa-3,AB13C3D3_cP160_205_ab_c4d_d_d:Cs-F-O-Xe,160.0,"Invalid WP multiplicities - AB13C3D3_cP160_205_2a3b_8c81d_d_d:Cs-F-O-Xe, expected Cs5Xe6(O3F251)2 to be CsXe3O3F13" +mp-581294,BaP2(XeF5)4,-4.0538762689,-2.1605482695,0.0,-0.0510046956,GGA,P-1,AB20C2D4_aP108_2_2i_40i_4i_8i:Ba-F-P-Xe,108.0,"Invalid WP multiplicities - AB20C2D4_aP108_2_2i_79i_8i_15i:Ba-F-P-Xe, expected Ba2P8Xe15F79 to be BaP2(XeF5)4" +mp-1229194,AgAu(IO3)4,-4.6902390125,-0.7257852381000001,0.0,-0.0004107777,GGA,Pc,ABC4D12_mP36_7_a_a_4a_12a:Ag-Au-I-O,36.0,"Invalid WP multiplicities - ABC4D12_mP36_7_a_a_6a_18a:Ag-Au-I-O, expected AgAu(IO3)6 to be AgAu(IO3)4" +mp-1199846,AgSb3IF24,-4.4234206045,-2.2658888357,0.0,-0.0276931272,GGA,C2/c,AB24CD3_mC116_15_a_12f_e_ef:Ag-F-I-Sb,58.0,"Invalid WP multiplicities - AB24CD3_mC116_15_a_48f_e_2e3f:Ag-F-I-Sb, expected AgSb8IF96 to be AgSb3IF24" +mp-1111927,K2LiCrF6,-5.674554548,-3.1493903444,0.0,-0.0250074521,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Li +mp-1192886,NiNF3,-4.3527842307,-0.3825705292,1.1696633233,1.1696633233,GGA+U,P6_3/mmc,A3BC_hP30_194_hk_bf_af:F-N-Ni,30.0,A3BC_hP30_194_hk_bf_af:F-N-Ni +mp-1068795,NiNF3,-4.063607722,-0.0933940205,1.458839832,1.458839832,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-N-Ni,5.0,A3BC_cP5_221_c_a_b:F-N-Ni +mp-1192944,Ta4Ni2N,-10.2913262818,-0.6730578811,0.0,-0.0656770266,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Ni-Ta,28.0,AB2C4_cF112_227_c_e_df:N-Ni-Ta +mp-1206377,Ni(NF2)2,-3.90795657,0.39190663,1.6153764343,1.6153764343,GGA+U,I4/mmm,A4B2C_tI14_139_ce_e_a:F-N-Ni,7.0,A4B2C_tI14_139_ce_e_a:F-N-Ni +mp-27806,Ni(NF7)2,-3.87113614,-0.9762048415,0.0,-0.5450960781,GGA+U,I4/m,A14B2C_tI34_87_ehi_d_a:F-N-Ni,17.0,"Invalid WP multiplicities - A14B2C_tI34_87_eh2i_d_a:F-N-Ni, expected Ni(NF11)2 to be Ni(NF7)2" +mp-818598,Ta2Ni(NF2)6,-5.5031517752,-0.6244656276,1.7489998295,1.7489998295,GGA+U,Fm-3m,A12B6CD2_cF84_225_g_e_a_c:F-N-Ni-Ta,21.0,A12B6CD2_cF84_225_g_e_a_c:F-N-Ni-Ta +mp-1111114,K2RbScF6,-5.593506475,-3.4932389873,0.0655337383,0.0655337383,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Sc +mp-6500,KRb2ScF6,-5.6596451615,-3.5723641613,0.0,-0.0262495211,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:F-K-Rb-Sc,20.0,A6BC2D_mP20_14_3e_a_e_b:F-K-Rb-Sc +mp-9348,KRb2ScF6,-5.657269792,-3.5699887918,0.0023753695,-0.0238741516,GGA,I4/m,A6BC2D_tI20_87_eh_a_d_b:F-K-Rb-Sc,10.0,A6BC2D_tI20_87_eh_a_d_b:F-K-Rb-Sc +mp-9349,KRb2ScF6,-5.648091754,-3.5608107538,0.0115534075,-0.0146961136,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Sc +mp-1112031,K2InHgI6,-2.445235416,-1.0335994071,0.0714450403,0.0714450403,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Hg-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Hg-I-In-K +mp-1018791,LiY(CuP)2,-5.3664459167,-0.7997105278000001,0.0,-0.0439767786,GGA,P-3m1,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Y,6.0,A2BC2D_hP6_164_d_a_d_b:Cu-Li-P-Y +mp-1112057,CsK2AlI6,-2.854860756,-1.2846633364,0.1470867018,0.1470867018,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cs-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cs-I-K +mp-1113057,Cs2KAlI6,-2.948243853,-1.3995460909,0.0431957428,0.0431957428,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-K,10.0,AB2C6D_cF40_225_a_c_e_b:Al-Cs-I-K +mp-561500,Cs2NaVF6,-5.4599736585,-3.0933626672,0.0,-0.0097873312,GGA+U,R-3m,A2B6CD_hR60_166_2c_2h_c_ab:Cs-F-Na-V,20.0,"Invalid WP multiplicities - A2B6CD_hR60_166_2c_10h_c_ab:Cs-F-Na-V, expected Cs2NaVF30 to be Cs2NaVF6" +mp-1207213,K2LiCuF6,-4.580088817,-2.6103086934,0.0,-0.108509103,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Li +mp-554323,Ni3B7BrO13,-7.8195526184,-2.4047137013,0.0,-0.0440132637,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Br-Ni-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_24a_a_8a_46a:B-Br-Ni-O, expected Ni8B24BrO46 to be Ni3B7BrO13" +mp-1202477,Sm4B18Cl3O38,-7.8037367837,-2.5240038088,0.207600504,0.207600504,GGA,P2/c,A18B3C38D4_mP126_13_9g_eg_19g_2g:B-Cl-O-Sm,126.0,A18B3C38D4_mP126_13_9g_eg_19g_2g:B-Cl-O-Sm +mp-1203811,SmB7ClO18,-7.4029461023,-2.1302326952,0.1475620216,0.1475620216,GGA,P2_1/c,A7BC18D_mP108_14_7e_e_18e_e:B-Cl-O-Sm,108.0,A7BC18D_mP108_14_7e_e_18e_e:B-Cl-O-Sm +mp-1211792,KCe(ClO)4,-4.3524974075,-0.9300584488,0.8289014321,0.8289014321,GGA,P2_12_12,AB4CD4_oP20_18_a_2c_b_2c:Ce-Cl-K-O,20.0,AB4CD4_oP20_18_a_2c_b_2c:Ce-Cl-K-O +mp-1219447,SbPbIO2,-5.268023972,-1.4263455555,0.047142316,0.047142316,GGA,I4mm,AB2CD_tI10_107_a_b_a_a:I-O-Pb-Sb,5.0,AB2CD_tI10_107_a_b_a_a:I-O-Pb-Sb +mp-28630,Na3BN2,-5.1809057683,-0.6275795181,0.0,-0.0578793521,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:B-N-Na,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_6e_3e:B-N-Na, expected Na3BN6 to be Na3BN2" +mp-1189680,Na2BN,-4.5671846119,-0.1519502912,0.5787397236,0.5787397236,GGA,Pbcm,ABC2_oP16_57_c_d_cd:B-N-Na,16.0,ABC2_oP16_57_c_d_cd:B-N-Na +mp-1228056,Ba3NaB24,-6.2910068364,-0.3129763859,0.0093857815,0.0093857815,GGA,P4/mmm,A24B3C_tP28_123_4h2t_ag_b:B-Ba-Na,28.0,"Invalid WP multiplicities - A24B3C_tP28_123_8h11t_a2g_b:B-Ba-Na, expected Ba5NaB104 to be Ba3NaB24" +mp-9705,Ba4Na(BN2)3,-6.7727344007,-1.1259079781,0.0,-0.0264580505,GGA,Im-3m,A3B4C6D_cI28_229_b_c_e_a:B-Ba-N-Na,14.0,A3B4C6D_cI28_229_b_c_e_a:B-Ba-N-Na +mp-1197137,Nd2Ge(BO4)2,-8.3285185079,-3.1676249731,0.0,-0.0043136375,GGA,Pbcn,A2BC2D8_oP52_60_d_c_d_4d:B-Ge-Nd-O,52.0,A2BC2D8_oP52_60_d_c_d_4d:B-Ge-Nd-O +mp-540996,NdGeBO5,-8.0744371647,-2.9739358379,0.0,-0.0106303479,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:B-Ge-Nd-O,32.0,ABCD5_mP32_14_e_e_e_5e:B-Ge-Nd-O +mp-767539,Li6SbS2,-3.7661679617,-1.1155637201,0.0993404263,0.0993404263,GGA,P2_1/c,A6B2C_mP36_14_6e_2e_e:Li-S-Sb,36.0,"Invalid WP multiplicities - A6B2C_mP36_14_21e_7e_e:Li-S-Sb, expected Li21SbS7 to be Li6SbS2" +mp-1176934,Li6SbS2,-3.7558758478,-1.1052716062,0.1096325402,0.1096325402,GGA,C2/c,A6B2C_mC36_15_3f_f_e:Li-S-Sb,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_5f_f_e:Li-S-Sb, expected Li10SbS2 to be Li6SbS2" +mp-767525,Li6SbS2,-3.8015639844,-1.1509597429,0.0639444035,0.0639444035,GGA,I4/mmm,A6B2C_tI18_139_dg_e_a:Li-S-Sb,9.0,"Invalid WP multiplicities - A6B2C_tI18_139_d2g_e_a:Li-S-Sb, expected Li10SbS2 to be Li6SbS2" +mp-776405,Li6Sb2S7,-4.324999416,-1.0805534995,0.0529948663,0.0529948663,GGA,P2_1/c,A6B7C2_mP30_14_3e_a3e_e:Li-S-Sb,30.0,"Invalid WP multiplicities - A6B7C2_mP30_14_11e_2a7e_e:Li-S-Sb, expected Li11SbS8 to be Li6Sb2S7" +mp-768171,Li8SbS6,-4.2070150547,-1.259076163,0.0595826382,0.0595826382,GGA,R-3,A8B6C_hR45_148_cf_f_a:Li-S-Sb,15.0,"Invalid WP multiplicities - A8B6C_hR45_148_c2f_f_a:Li-S-Sb, expected Li14SbS6 to be Li8SbS6" +mp-777019,Li8SbS6,-4.2028695193,-1.2549306277,0.0637281735,0.0637281735,GGA,P6_3cm,A8B6C_hP30_185_b2c_abc_a:Li-S-Sb,30.0,"Invalid WP multiplicities - A8B6C_hP30_185_2b9c_a3b3c_a:Li-S-Sb, expected Li31SbS16 to be Li8SbS6" +mp-768139,Li8Sb2S,-3.3438877977,-0.8288118632,0.0757628559,0.0757628559,GGA,C2/c,A8BC2_mC44_15_4f_e_f:Li-S-Sb,22.0,"Invalid WP multiplicities - A8BC2_mC44_15_9f_e_f:Li-S-Sb, expected Li18Sb2S to be Li8Sb2S" +mp-1176579,LiSbS,-4.3299489267,-0.9384909355,0.0,-0.0270811272,GGA,Pca2_1,ABC_oP12_29_a_a_a:Li-S-Sb,12.0,ABC_oC12_39_a_c_c:Li-S-Sb +mp-767516,Li9Sb3S,-3.3527137906,-0.7601169147,0.0901799012,0.0901799012,GGA,P2_1/c,A9BC3_mP52_14_9e_e_3e:Li-S-Sb,52.0,"Invalid WP multiplicities - A9BC3_mP52_14_33e_e_11e:Li-S-Sb, expected Li33Sb11S to be Li9Sb3S" +mp-767765,Li34Sb8S7,-3.5351506727,-0.9455478879,0.0769678256,0.0769678256,GGA,I4/m,A34B7C8_tI98_87_dgh3i_aeh_i:Li-S-Sb,49.0,"Invalid WP multiplicities - A34B7C8_tI98_87_2d3g4h20i_a2e2h_i:Li-S-Sb, expected Li192Sb8S13 to be Li34Sb8S7" +mp-767407,Li5SbS,-3.4863693079,-0.942074245,0.0908992993,0.0908992993,GGA,P2_1,A5BC_mP28_4_10a_2a_2a:Li-S-Sb,28.0,"Invalid WP multiplicities - A5BC_mP28_4_19a_3a_3a:Li-S-Sb, expected Li19(SbS)3 to be Li5SbS" +mp-767471,Li5SbS,-3.4914299250000003,-0.9471348621,0.0858386821,0.0858386821,GGA,P2_1,A5BC_mP28_4_10a_2a_2a:Li-S-Sb,28.0,"Invalid WP multiplicities - A5BC_mP28_11_8e8f_3e_4e:Li-S-Sb, expected Li24Sb4S3 to be Li5SbS" +mp-775372,Li5SbS,-3.4731362668,-0.9288412039,0.1041323404,0.1041323404,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:Li-S-Sb,56.0,"Invalid WP multiplicities - A5BC_mP56_14_39e_3e_3e:Li-S-Sb, expected Li13SbS to be Li5SbS" +mp-1177072,Li5SbS,-3.4916254796,-0.9473304168,0.0856431275,0.0856431275,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:Li-S-Sb,56.0,"Invalid WP multiplicities - A5BC_mP56_14_39e_5e_7e:Li-S-Sb, expected Li39Sb7S5 to be Li5SbS" +mp-753621,Li5SbS,-3.5121404307,-0.9678453678,0.0651281764,0.0651281764,GGA,C2/c,A5BC_mC28_15_e2f_e_e:Li-S-Sb,14.0,"Invalid WP multiplicities - A5BC_mC28_15_2e7f_e_e:Li-S-Sb, expected Li16SbS to be Li5SbS" +mp-754496,Li5SbS,-3.5215864504,-0.9772913875,0.0556821568,0.0556821568,GGA,P2_12_12_1,A5BC_oP28_19_5a_a_a:Li-S-Sb,28.0,"Invalid WP multiplicities - A5BC_oP28_62_17c_c_c:Li-S-Sb, expected Li17SbS to be Li5SbS" +mp-1177070,Li5SbS,-3.5282024329,-0.98390737,0.0490661743,0.0490661743,GGA,Pmma,A5BC_oP14_51_eij_a_f:Li-S-Sb,14.0,A5BC_oP14_51_eij_a_f:Li-S-Sb +mp-767403,Li5SbS,-3.5113023136,-0.9670072507,0.0659662936,0.0659662936,GGA,Pnma,A5BC_oP28_62_c2d_c_c:Li-S-Sb,28.0,"Invalid WP multiplicities - A5BC_oP28_62_3c6d_c_c:Li-S-Sb, expected Li15SbS to be Li5SbS" +mp-767409,Li5SbS,-3.5285403757,-0.9842453128,0.0487282314,0.0487282314,GGA,P4/mmm,A5BC_tP7_123_ai_b_c:Li-S-Sb,7.0,A5BC_tP7_123_ai_b_c:Li-S-Sb +mp-768269,Li3SbS4,-4.3400923631,-1.0398961997,0.0601709519,-0.0145601654,GGA,Cc,A3B4C_mC32_9_3a_4a_a:Li-S-Sb,16.0,"Invalid WP multiplicities - A3B4C_mC32_9_5a_8a_a:Li-S-Sb, expected Li5SbS8 to be Li3SbS4" +mp-752426,Li3SbS4,-4.3380245325,-1.0378283691,0.0622387825,-0.0124923348,GGA,P2/c,A3B4C_mP16_13_e2f_2g_e:Li-S-Sb,16.0,"Invalid WP multiplicities - A3B4C_mP16_13_e4f_7g_e:Li-S-Sb, expected Li5SbS14 to be Li3SbS4" +mp-756316,Li3SbS4,-4.400263315,-1.1000671516,0.0,-0.0747311173,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Li-S-Sb,16.0,"Invalid WP multiplicities - A3B4C_oP16_31_2a2b_4a2b_a:Li-S-Sb, expected Li6SbS8 to be Li3SbS4" +mp-768208,Li3SbS4,-4.3237328475,-1.0235366841,0.0765304675,0.0017993502,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Li-S-Sb,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_2c3d_5c4d_c:Li-S-Sb, expected Li8SbS13 to be Li3SbS4" +mp-760415,Li3SbS4,-4.3949876513,-1.0947914878,0.0052756637,-0.0694554535,GGA,I-42m,A3B4C_tI16_121_ad_i_b:Li-S-Sb,8.0,A3B4C_tI16_121_ad_i_b:Li-S-Sb +mp-850275,Li3SbS4,-4.3290370313,-1.0288408678,0.0712262837,-0.0035048335,GGA,P-43m,A3B4C_cP8_215_c_e_b:Li-S-Sb,8.0,A3B4C_cP8_215_c_e_b:Li-S-Sb +mp-776356,Li2SbS2,-4.2770320367,-1.0330826953,0.0687334128,0.0687334128,GGA,P2_12_12_1,A2B2C_oP40_19_4a_4a_2a:Li-S-Sb,40.0,"Invalid WP multiplicities - A2B2C_oP40_19_13a_13a_5a:Li-S-Sb, expected Li13Sb5S13 to be Li2SbS2" +mp-1079885,LiSbS2,-4.4996140438,-0.9219080836,0.0,-0.0087236498,GGA,C2/c,AB2C_mC16_15_e_f_e:Li-S-Sb,8.0,AB2C_mC16_15_e_f_e:Li-S-Sb +mp-756784,LiSbS2,-4.451717605,-0.8740116449,0.0478964388,0.039172789,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-S-Sb,4.0,AB2C_tP4_123_a_bc_d:Li-S-Sb +mp-34121,LiSbS2,-4.49422201,-0.9165160499,0.0053920338,-0.003331616,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-S-Sb,8.0,AB2C_tI16_141_a_e_b:Li-S-Sb +mp-14591,LiSbS2,-4.4863867121,-0.908680752,0.0132273317,0.0045036819,GGA,R-3,AB2C_hR72_148_f_2f_f:Li-S-Sb,24.0,AB2C_hR72_148_f_2f_f:Li-S-Sb +mp-767137,Li3Sb17S27,-4.6243169719,-0.6327438637,0.0130342539,0.0130342539,GGA,P1,A3B27C17_aP47_1_3a_27a_17a:Li-S-Sb,47.0,A3B27C17_aP47_1_3a_27a_17a:Li-S-Sb +mp-775806,Li3SbS3,-4.312768322,-1.1320369733,0.0397756373,0.0392401759,GGA,P2_1/c,A3B3C_mP56_14_6e_6e_2e:Li-S-Sb,56.0,"Invalid WP multiplicities - A3B3C_mP56_14_11e_15e_3e:Li-S-Sb, expected Li11(SbS5)3 to be Li3SbS3" +mp-775804,Li3SbS3,-4.2919755368,-1.1112441881,0.0605684225,0.0600329611,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Li-S-Sb,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_11e_11e_e:Li-S-Sb, expected Li11SbS11 to be Li3SbS3" +mp-768194,Li3SbS3,-4.2901946246,-1.109463276,0.0623493346,0.0618138732,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Li-S-Sb,28.0,"Invalid WP multiplicities - A3B3C_mP28_14_7e_11e_e:Li-S-Sb, expected Li7SbS11 to be Li3SbS3" +mp-1194339,Li3SbS3,-4.3525439593,-1.1718126106,0.0,-0.0005354614,GGA,Pna2_1,A3B3C_oP28_33_3a_3a_a:Li-S-Sb,28.0,A3B3C_oP28_33_3a_3a_a:Li-S-Sb +mp-755463,Li3SbS3,-4.3140673929,-1.1333360442,0.0384765664,0.037941105,GGA,R-3,A3B3C_hR42_148_f_f_c:Li-S-Sb,14.0,A3B3C_hR42_148_f_f_c:Li-S-Sb +mp-1177520,Li3SbS3,-4.31732033,-1.1365889813,0.0352236293,0.0346881679,GGA,R3m,A3B3C_hR21_160_b_b_a:Li-S-Sb,7.0,A3B3C_hR21_160_b_b_a:Li-S-Sb +mp-768199,Li3SbS3,-4.2654499821,-1.0847186335,0.0870939771,0.0865585157,GGA,P2_13,A3B3C_cP28_198_3a_b_a:Li-S-Sb,28.0,"Invalid WP multiplicities - A3B3C_cP28_198_9a_b_a:Li-S-Sb, expected Li9SbS3 to be Li3SbS3" +mp-753776,Li4SbS4,-4.267486515,-1.1218762734,0.0733755708,0.0733755708,GGA,Cmcm,A4B4C_oC36_63_eg_fg_c:Li-S-Sb,18.0,"Invalid WP multiplicities - A4B4C_oC36_63_2eg_f2g_c:Li-S-Sb, expected Li6SbS6 to be Li4SbS4" +mp-767715,Li34(Sb3S2)3,-3.4713210794,-0.8818703074,0.0875885528,0.0875885528,GGA,I4/m,A34B6C9_tI98_87_dgh3i_eh_ai:Li-S-Sb,49.0,"Invalid WP multiplicities - A34B6C9_tI98_87_2d3g4h21i_2e2h_a2i:Li-S-Sb, expected Li200Sb17S12 to be Li34(Sb3S2)3" +mp-559814,Li5SbS3I2,-3.9195865957,-1.2805231526,0.0,-0.008406947,GGA,Pnnm,A2B5C3D_oP44_58_2g_g2h_gh_g:I-Li-S-Sb,44.0,"Invalid WP multiplicities - A2B5C3D_oP44_58_6g_4g10h_4g4h_g:I-Li-S-Sb, expected Li24Sb(S2I)6 to be Li5SbS3I2" +mp-767527,Li6Sb3S,-3.5375611285,-0.7398620498,0.0935731008,0.0935731008,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Li-S-Sb,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_9e_a_2d2e:Li-S-Sb, expected Li18Sb6S to be Li6Sb3S" +mp-775925,Li8Sb7S19,-4.4160615962,-0.8052692702,0.0605661196,0.0605661196,GGA,C2/c,A8B19C7_mC136_15_4f_e9f_e3f:Li-S-Sb,68.0,"Invalid WP multiplicities - A8B19C7_mC136_15_7f_2e23f_e6f:Li-S-Sb, expected Li14Sb13S48 to be Li8Sb7S19" +mp-767088,Li3Sb11S18,-4.6107723556,-0.6857136105,0.0044425373,0.0044425373,GGA,P1,A3B18C11_aP32_1_3a_18a_11a:Li-S-Sb,32.0,A3B18C11_aP32_1_3a_18a_11a:Li-S-Sb +mp-756427,Li5SbS4,-4.242093935,-1.2201524309,0.0512471675,0.0512471675,GGA,Cmc2_1,A5B4C_oC40_36_a2b_2ab_a:Li-S-Sb,20.0,"Invalid WP multiplicities - A5B4C_oC40_36_a4b_2a2b_a:Li-S-Sb, expected Li9SbS6 to be Li5SbS4" +mp-776970,Li5SbS4,-4.2077863395,-1.1858448354,0.085554763,0.085554763,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Li-S-Sb,20.0,"Invalid WP multiplicities - A5B4C_oP20_59_2a3g_2e3f_b:Li-S-Sb, expected Li14SbS10 to be Li5SbS4" +mp-776253,Li5SbS4,-4.199823311,-1.1778818069,0.0935177915,0.0935177915,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:Li-S-Sb,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:Li-S-Sb, expected Li17SbS13 to be Li5SbS4" +mp-776268,Li5SbS4,-4.2370378091,-1.215096305,0.0563032934,0.0563032934,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:Li-S-Sb,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:Li-S-Sb, expected Li17SbS13 to be Li5SbS4" +mp-775817,Li5SbS4,-4.2252507675,-1.2033092634,0.068090335,0.068090335,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:Li-S-Sb,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:Li-S-Sb, expected Li17SbS13 to be Li5SbS4" +mp-768197,Li5SbS4,-4.239896336,-1.2179548319,0.0534447665,0.0534447665,GGA,Immm,A5B4C_oI20_71_bn_fg_a:Li-S-Sb,10.0,"Invalid WP multiplicities - A5B4C_oI20_71_bn_2fg_a:Li-S-Sb, expected Li5SbS6 to be Li5SbS4" +mp-776255,Li5SbS4,-4.2057122916,-1.1837707875,0.0876288109,0.0876288109,GGA,P4_2/nmc,A5B4C_tP80_137_abd2fh_2gh_g:Li-S-Sb,80.0,"Invalid WP multiplicities - A5B4C_tP80_137_2a2b3d6f8h_12g3h_g:Li-S-Sb, expected Li49(SbS18)2 to be Li5SbS4" +mp-768163,Li7(SbS)2,-3.7288867082,-1.0113083191,0.0695915234,0.0695915234,GGA,P-1,A7B2C2_aP22_2_7i_2i_2i:Li-S-Sb,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:Li-S-Sb, expected Li13(SbS)3 to be Li7(SbS)2" +mp-767321,Li7(SbS)2,-3.7178269164,-1.0002485272,0.0806513152,0.0806513152,GGA,P-1,A7B2C2_aP22_2_7i_2i_2i:Li-S-Sb,22.0,"Invalid WP multiplicities - A7B2C2_aP22_2_13i_3i_3i:Li-S-Sb, expected Li13(SbS)3 to be Li7(SbS)2" +mp-768156,Li7(SbS)2,-3.7032702464,-0.9856918572,0.0952079852,0.0952079852,GGA,Pnma,A7B2C2_oP44_62_3c2d_d_2c:Li-S-Sb,44.0,"Invalid WP multiplicities - A7B2C2_oP44_62_12c5d_d_5c:Li-S-Sb, expected Li22Sb5S2 to be Li7(SbS)2" +mp-767553,Li7Sb2S,-3.3993603632,-0.8236691219000001,0.0905645489,0.0905645489,GGA,P2_1/c,A7BC2_mP40_14_7e_e_2e:Li-S-Sb,40.0,"Invalid WP multiplicities - A7BC2_mP40_14_25e_e_5e:Li-S-Sb, expected Li25Sb5S to be Li7Sb2S" +mp-1208893,Sn7(SI3)2,-3.5918362953000003,-0.5798295741,0.0782678582,0.0782678582,GGA,C2/m,A6B2C7_mC30_12_3i_i_a3i:I-S-Sn,15.0,A6B2C7_mC30_12_3i_i_a3i:I-S-Sn +mp-1219046,Sn2SbS2I3,-3.7538953438,-0.648752377,0.0558872184,0.0558872184,GGA,Cmc2_1,A3B2CD2_oC32_36_3a_2a_a_2a:I-S-Sb-Sn,16.0,"Invalid WP multiplicities - A3B2CD2_oC32_36_4a_3a_a_3a:I-S-Sb-Sn, expected Sn3SbS3I4 to be Sn2SbS2I3" +mp-561134,Sn2SbS2I3,-3.7208875175,-0.6157445508,0.0888950447,0.0888950447,GGA,Cmcm,A3B2CD2_oC32_63_cf_f_c_f:I-S-Sb-Sn,16.0,"Invalid WP multiplicities - A3B2CD2_oC32_63_2c2f_f_c_f:I-S-Sb-Sn, expected Sn2Sb(SI3)2 to be Sn2SbS2I3" +mp-649878,Sn(S4I)4,-4.1225473379,-0.4993932843,0.0554384319,-0.3284720277,GGA,Fdd2,A4B16C_oF168_43_2b_8b_a:I-S-Sn,42.0,"Invalid WP multiplicities - A4B16C_oF168_43_6b_30b_a:I-S-Sn, expected Sn(S5I)12 to be Sn(S4I)4" +mp-557101,Sn(S4I)4,-4.1779857698,-0.5548317162,0.0,-0.3839104596,GGA,Fdd2,A4B16C_oF168_43_2b_8b_a:I-S-Sn,42.0,"Invalid WP multiplicities - A4B16C_oF168_43_6b_30b_a:I-S-Sn, expected Sn(S5I)12 to be Sn(S4I)4" +mp-1179755,Sn(S4I)4,-4.0191743217,-0.3960202681,0.1588114481,-0.2250990115,GGA,Fdd2,A4B16C_oF168_43_2b_8b_a:I-S-Sn,42.0,"Invalid WP multiplicities - A4B16C_oF168_43_6b_30b_a:I-S-Sn, expected Sn(S5I)12 to be Sn(S4I)4" +mp-540644,Sn4SI6,-3.40434374,-0.7666223412000001,0.0005634492,0.0005634492,GGA,C2/m,A6BC4_mC44_12_6i_i_4i:I-S-Sn,22.0,A6BC4_mC44_12_6i_i_4i:I-S-Sn +mp-23386,Sn2SI2,-3.774057207,-0.7535919516,0.0,-0.0076198987,GGA,Pnma,A2BC2_oP60_62_6c_3c_6c:I-S-Sn,60.0,"Invalid WP multiplicities - A2BC2_oP60_62_6c_4c_7c:I-S-Sn, expected Sn7(S2I3)2 to be Sn2SI2" +mp-1019730,EuZn(BO2)5,-8.3560104988,-2.8042110061,0.0067101296,0.0067101296,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Eu-O-Zn,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-Eu-O-Zn +mp-1207357,Ho3TlS6,-3.324602415,0.7682544808,2.6850688903,2.6850688903,GGA,Cmmm,A3B6C_oC20_65_de_kp_a:Ho-S-Tl,10.0,A3B6C_oC20_65_de_kp_a:Ho-S-Tl +mp-1212994,HoTlS2O9,-6.6857120342,-2.0904697149,0.1437058903,0.1437058903,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Ho-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Ho-O-S-Tl +mp-1007665,HoTlS2,-5.5422507425,-1.7377628049,0.0,-0.0645514299,GGA,R-3m,AB2C_hR12_166_a_c_b:Ho-S-Tl,4.0,AB2C_hR12_166_a_c_b:Ho-S-Tl +mp-650814,GaRe2(CO)9,-8.3824088767,-0.9778689611,0.2958640771,0.2958640771,GGA,I4_1/a,A9BC9D2_tI336_88_9f_f_9f_2ef:C-Ga-O-Re,168.0,"Invalid WP multiplicities - A9BC9D2_tI336_88_65f_f_67f_6e4f:C-Ga-O-Re, expected GaRe7C65O67 to be GaRe2(CO)9" +mp-1196511,Pr8C8Cl5,-6.8843776012,-1.1072703021,0.0,-0.0103416109,GGA,P2_1/c,A8B5C8_mP42_14_4e_a2e_4e:C-Cl-Pr,42.0,A8B5C8_mP42_14_4e_a2e_4e:C-Cl-Pr +mp-567555,Pr5C2Cl9,-5.8636819059,-2.1762637997,0.0031210814,0.0031210814,GGA,P-1,A2B9C5_aP32_2_2i_bd8i_5i:C-Cl-Pr,32.0,"Invalid WP multiplicities - A2B9C5_aP32_2_3i_bd15i_7i:C-Cl-Pr, expected Pr7C3Cl16 to be Pr5C2Cl9" +mp-1204834,Pr11C11Cl7,-6.8696372427,-1.1094634378,0.0082570902,0.0082570902,GGA,P2_1/c,A11B7C11_mP116_14_11e_7e_11e:C-Cl-Pr,116.0,A11B7C11_mP116_14_11e_7e_11e:C-Cl-Pr +mp-571490,Pr3CCl5,-5.8073563714,-2.1613490317,0.0,-0.0033987487,GGA,C2/c,AB5C3_mC72_15_f_5f_3f:C-Cl-Pr,36.0,"Invalid WP multiplicities - AB5C3_mC72_15_f_15f_12f:C-Cl-Pr, expected Pr12CCl15 to be Pr3CCl5" +mp-1196687,Pr14C14Cl9,-6.8686770627,-1.1181141599,0.0055375773,0.0055375773,GGA,Pc,A14B9C14_mP74_7_14a_9a_14a:C-Cl-Pr,74.0,A14B9C14_mP74_7_14a_9a_14a:C-Cl-Pr +mp-1223605,KPr5(CCl5)2,-5.6521461144,-2.2100558196,0.0,-0.0125352801,GGA,P6_3,A2B10CD5_hP36_173_2b_b3c_a_2bc:C-Cl-K-Pr,36.0,A2B10CD5_hP36_173_2b_b3c_a_2bc:C-Cl-K-Pr +mp-570498,Pr4C2Cl5,-6.1162983809,-1.8596040805,0.0,-0.0418700018,GGA,Immm,A2B5C4_oI22_71_e_cn_eg:C-Cl-Pr,11.0,A2B5C4_oI22_71_e_cn_eg:C-Cl-Pr +mp-571240,KLa5(CCl5)2,-5.8108973299,-2.3257233267,0.0,-0.0242537624,GGA,P2_1/c,A2B10CD5_mP72_14_2e_10e_e_5e:C-Cl-K-La,72.0,"Invalid WP multiplicities - A2B10CD5_mP72_14_3e_39e_e_18e:C-Cl-K-La, expected KLa18(CCl13)3 to be KLa5(CCl5)2" +mp-8614,K3NdSi2O7,-7.161955134,-3.0406627253,0.0,-0.0458931047,GGA,P6_3/mcm,A3BC7D2_hP78_193_bck_ad_gkl_k:K-Nd-O-Si,78.0,A3BC7D2_hP78_193_bck_ad_gkl_k:K-Nd-O-Si +mp-1223480,KNd9(Si3O13)2,-8.515824121,-3.6303588707,0.0,-0.0148597337,GGA,P3,AB9C26D6_hP42_143_a_a2b2d_2c8d_2d:K-Nd-O-Si,42.0,AB9C26D6_hP42_143_a_a2b2d_2c8d_2d:K-Nd-O-Si +mp-559608,K3NdSi7O17,-7.8349202556,-3.1859817351,0.0,-0.0044071466,GGA,P-3,A3BC17D7_hP112_147_2g_ae_d11g_2d4g:K-Nd-O-Si,112.0,"Invalid WP multiplicities - A3BC17D7_hP112_147_6g_ae_2d64g_4d18g:K-Nd-O-Si, expected K9NdSi29O97 to be K3NdSi7O17" +mp-1224625,K8Nd3(Si4O11)3,-7.5999236084,-3.108277578,0.0163840718,0.0163840718,GGA,P1,A8B3C33D12_aP56_1_8a_3a_33a_12a:K-Nd-O-Si,56.0,A8B3C33D12_aP56_1_8a_3a_33a_12a:K-Nd-O-Si +mp-6453,K3Nd(Si2O5)3,-7.7652630133,-3.1711996884,0.0,-0.0003311303,GGA,Pbam,A3BC15D6_oP100_55_g2h_ac_3g2h5i_2g2i:K-Nd-O-Si,100.0,"Invalid WP multiplicities - A3BC15D6_oP100_55_g4h_ac_3g3h10i_4g5i:K-Nd-O-Si, expected K5Nd(Si7O13)2 to be K3Nd(Si2O5)3" +mp-1198373,K3Nd(Si2O5)3,-7.758319435,-3.1642561101,0.0069435783,0.006612448,GGA,Pbam,A3BC15D6_oP100_55_g2h_ac_3g2h5i_2g2i:K-Nd-O-Si,100.0,A3BC15D6_oP100_55_g2h_ac_3g2h5i_2g2i:K-Nd-O-Si +mp-10860,CeNi2B2C,-7.1617179033,-0.4815826451,0.0,-0.0300334373,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Ni +mp-721236,Li10Sn(PS6)2,-4.5348053598,-1.1922932023,0.0233750875,0.0233750875,GGA,P1,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-S-Sn,50.0,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-S-Sn +mp-696123,Li10Sn(PS6)2,-4.523157718,-1.1806455605,0.0350227293,0.0350227293,GGA,P4_2mc,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-S-Sn,50.0,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-S-Sn +mp-20116,Tl3Ir(NO2)6,-4.6871776518,1.0085313348,1.9027042731,1.9027042731,GGA,Fm-3m,AB6C12D3_cF88_225_a_e_h_bc:Ir-N-O-Tl,22.0,AB6C12D3_cF88_225_a_e_h_bc:Ir-N-O-Tl +mp-1111959,K2FeAuF6,-4.917611905,-2.3742544141,0.1616324784,0.1616324784,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Fe-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Fe-K +mp-1200179,Rb3NpH4O7,-6.3784716438,-2.10599784,0.0,-0.0373886919,GGA,P2_1/c,A4BC7D3_mP60_14_4e_e_7e_3e:H-Np-O-Rb,60.0,A4BC7D3_mP60_14_4e_e_7e_3e:H-Np-O-Rb +mp-1198189,Rb3NpH8O9,-6.0404795802,-1.8713658345,0.0,-0.0007805144,GGA,C2/c,A8BC9D3_mC84_15_4f_c_e4f_ef:H-Np-O-Rb,42.0,A8BC9D3_mC84_15_4f_c_e4f_ef:H-Np-O-Rb +mp-1206223,Sr2LuUO6,-8.52722585,-3.6400778796,0.0706862281,0.0706862281,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Lu-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Lu-O-Sr-U +mp-540894,Fe2(SO4)3,-7.0418884181,-1.8236733266,0.0074534469,-0.1064790005,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Fe-O-S,68.0,A2B12C3_mP68_14_2e_12e_3e:Fe-O-S +mp-540767,Fe2(SO4)3,-7.049341865,-1.8311267735,0.0,-0.1139324475,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Fe-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_4c_4f_f:Fe-O-S, expected Fe4(SO4)3 to be Fe2(SO4)3" +mp-1078984,Ce2Fe2S2O3,-8.0815191733,-2.3127206625,0.2153811004,0.2153811004,GGA+U,I4/mmm,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Fe-O-S,9.0,A2B2C3D2_tI18_139_e_c_ad_e:Ce-Fe-O-S +mp-1213661,Fe2(SO7)3,-5.525147009,-0.4009218184,0.7963533797,0.7963533797,GGA+U,P-31c,A2B21C3_hP104_163_bcf_7i_i:Fe-O-S,104.0,A2B21C3_hP104_163_bcf_7i_i:Fe-O-S +mp-772225,Fe(SO4)2,-6.7557630473,-1.6360875351000002,0.0658573979,0.0658573979,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Fe-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Fe-O-S, expected Fe(SO9)2 to be Fe(SO4)2" +mp-771312,Fe(SO4)2,-6.7594578176,-1.6397823054,0.0621626276,0.0621626276,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Fe-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Fe-O-S, expected Fe(SO9)2 to be Fe(SO4)2" +mp-1200296,Fe2S2O13,-6.1755598112,-0.9096836112,0.4785043093,0.4785043093,GGA+U,P-1,A2B13C2_aP34_2_2i_13i_2i:Fe-O-S,34.0,A2B13C2_aP34_2_2i_13i_2i:Fe-O-S +mp-1181880,FeSO10,-5.5419391599,-0.3691593107,0.6141404663000001,0.6141404663000001,GGA+U,R-3,AB10C_hR216_148_f_10f_f:Fe-O-S,72.0,AB10C_hR216_148_f_10f_f:Fe-O-S +mp-1182686,FeSO10,-5.4748877901,-0.302107941,0.681191836,0.681191836,GGA+U,R-3,AB10C_hR216_148_f_10f_f:Fe-O-S,72.0,AB10C_hR216_148_f_10f_f:Fe-O-S +mp-1199695,FeSO10,-5.5055104215,-0.3327305724,0.6505692046,0.6505692046,GGA+U,R-3,AB10C_hR216_148_f_10f_f:Fe-O-S,72.0,AB10C_hR216_148_f_10f_f:Fe-O-S +mp-1204346,Fe2S2O17,-5.7485563143,-0.5434777312,0.5802934425,0.5802934425,GGA+U,P-1,A2B17C2_aP42_2_2i_17i_2i:Fe-O-S,42.0,A2B17C2_aP42_2_2i_17i_2i:Fe-O-S +mp-1105916,FeSO7,-6.0324592956,-0.7843157338000001,0.5267506355,0.5267506355,GGA+U,P2_1/m,AB7C_mP18_11_a_3e2f_e:Fe-O-S,18.0,AB7C_mP18_11_a_3e2f_e:Fe-O-S +mp-1181666,FeSO7,-6.0159718394,-0.7678282777000001,0.5432380916,0.5432380916,GGA+U,P2_1/m,AB7C_mP18_11_a_3e2f_e:Fe-O-S,18.0,AB7C_mP18_11_a_3e2f_e:Fe-O-S +mp-1205209,FeSO7,-6.0130391863,-0.7648956245,0.5461707448,0.5461707448,GGA+U,Pnma,AB7C_oP72_62_d_6c4d_2c:Fe-O-S,72.0,AB7C_oP72_62_d_6c4d_2c:Fe-O-S +mp-19254,FeSO4,-7.2579873508,-1.8591163639,0.0,-0.079019379,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Fe-O-S,24.0,AB4C_oP24_62_a_2cd_c:Fe-O-S +mp-19112,FeSO4,-7.257367305,-1.858496318,0.0006200458,-0.0783993331,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Fe-O-S,24.0,AB4C_oC24_63_a_fg_c:Fe-O-S +mp-540655,FeSO3,-7.1383448027,-1.6490373605,0.105119724,0.105119724,GGA+U,R-3,AB3C_hR90_148_f_3f_f:Fe-O-S,30.0,AB3C_hR90_148_f_3f_f:Fe-O-S +mp-1181788,FeSO8,-5.4916297993,-0.2736317226,0.9063280099,0.9063280099,GGA+U,P-1,AB8C_aP40_2_2i_16i_2i:Fe-O-S,40.0,AB8C_aP40_2_2i_16i_2i:Fe-O-S +mp-1197869,FeSO8,-5.733340596,-0.5153425193,0.6646172131,0.6646172131,GGA+U,P-1,AB8C_aP40_2_2i_16i_2i:Fe-O-S,40.0,AB8C_aP40_2_2i_16i_2i:Fe-O-S +mp-1202404,FeSO8,-5.9266923387,-0.7086942621,0.4712654704,0.4712654704,GGA+U,P-1,AB8C_aP40_2_2i_16i_2i:Fe-O-S,40.0,AB8C_aP40_2_2i_16i_2i:Fe-O-S +mp-1203935,FeSO8,-5.912558378,-0.6945603013,0.4853994311,0.4853994311,GGA+U,P-1,AB8C_aP40_2_2i_16i_2i:Fe-O-S,40.0,AB8C_aP40_2_2i_16i_2i:Fe-O-S +mp-1181631,FeSO8,-5.726443637,-0.5084455603,0.6715141721,0.6715141721,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Fe-O-S,40.0,AB8C_mP40_14_e_8e_e:Fe-O-S +mp-1181718,FeSO8,-5.604572627,-0.3865745503,0.7933851821,0.7933851821,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Fe-O-S,40.0,AB8C_mP40_14_e_8e_e:Fe-O-S +mp-1195856,FeSO8,-5.7881689618,-0.5701708851,0.6097888474000001,0.6097888474000001,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Fe-O-S,40.0,AB8C_mP40_14_e_8e_e:Fe-O-S +mp-1104530,FeSO5,-6.8724355629,-1.5381620438,0.1474947168,0.1474947168,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Fe-O-S,14.0,AB5C_mC28_15_c_e2f_e:Fe-O-S +mp-1105054,FeSO5,-6.8632744936000005,-1.5290009746000002,0.156655786,0.156655786,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Fe-O-S,14.0,AB5C_mC28_15_a_e2f_e:Fe-O-S +mp-1192775,FeSO5,-6.8626655204,-1.5283920013,0.1572647593,0.1572647593,GGA+U,Pnma,AB5C_oP28_62_c_3cd_c:Fe-O-S,28.0,AB5C_oP28_62_c_3cd_c:Fe-O-S +mp-1201595,Fe2S3O23,-5.6308629413,-0.5193189277,0.5924366133,0.5924366133,GGA+U,P-1,A2B23C3_aP56_2_2i_23i_3i:Fe-O-S,56.0,A2B23C3_aP56_2_2i_23i_3i:Fe-O-S +mp-1102979,FeS2O9,-6.4410191475000005,-1.3357592021,0.2243569865,0.2243569865,GGA+U,P-1,AB9C2_aP12_2_b_c4i_i:Fe-O-S,12.0,AB9C2_aP12_2_b_c4i_i:Fe-O-S +mp-1181637,Fe3S2O15,-6.421744583,-1.0275798814,0.3658616922,0.3658616922,GGA+U,R3m,A3B15C2_hR60_160_b_3a4b_2a:Fe-O-S,20.0,A3B15C2_hR60_160_b_3a4b_2a:Fe-O-S +mp-1197109,FeSO11,-5.2258440269,-0.0704558038,0.8372055288,0.8372055288,GGA+U,P2_1/c,AB11C_mP52_14_ad_11e_e:Fe-O-S,52.0,AB11C_mP52_14_ad_11e_e:Fe-O-S +mp-1198915,Fe2S3O17,-6.1096865118,-0.9531819613,0.4617796364,0.4617796364,GGA+U,P2_1/m,A2B17C3_mP44_11_ae_3e7f_ef:Fe-O-S,44.0,A2B17C3_mP44_11_ae_3e7f_ef:Fe-O-S +mp-818400,FeSO6,-6.0955013197,-0.8096759016,0.6652737639,0.6652737639,GGA+U,P2_1/c,AB6C_mP32_14_e_6e_e:Fe-O-S,32.0,AB6C_mP32_14_e_6e_e:Fe-O-S +mp-1029510,Sr3(BN2)2,-6.8530569017000005,-1.1004742793,0.1561736457,-0.0001026689,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:B-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:B-N-Sr +mp-1218347,Sr3(BN2)2,-7.0092305474,-1.256647925,0.0,-0.1562763146,GGA,Pm-3m,A2B4C3_cP27_221_cd_ef_ag:B-N-Sr,27.0,"Invalid WP multiplicities - A2B4C3_cP27_221_2c2d_4e5f_ag:B-N-Sr, expected Sr3(B2N9)2 to be Sr3(BN2)2" +mp-1077553,Sr2BBrN2,-6.35307604,-1.6390098971,0.0,-0.056257909,GGA,R-3m,ABC2D2_hR18_166_a_b_c_c:B-Br-N-Sr,6.0,ABC2D2_hR18_166_a_b_c_c:B-Br-N-Sr +mp-1068850,Sr(BN)2,-7.138507452,-0.794254083,0.4150308472,0.4150308472,GGA,C2/m,A2B2C_mC10_12_i_i_a:B-N-Sr,5.0,A2B2C_mC10_12_i_i_a:B-N-Sr +mp-1029665,Sr3BN3,-6.2148532843,-0.9638022977,0.0874765173,0.0874765173,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:B-N-Sr,14.0,AB3C3_hP14_176_c_h_h:B-N-Sr +mp-1029490,Sr3B3N5,-7.2590184727,-1.1872793548,0.1065925892,0.1065925892,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:B-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:B-N-Sr +mp-555076,KNaSnF6,-5.0138238667,-3.0236716555,0.0,-0.0137955431,GGA,Pna2_1,A6BCD_oP36_33_6a_a_a_a:F-K-Na-Sn,36.0,"Invalid WP multiplicities - A6BCD_oP36_33_22a_a_a_a:F-K-Na-Sn, expected KNaSnF22 to be KNaSnF6" +mp-979964,YbH2ClO2,-5.2370787033,-1.8925829613,0.1055109792,0.1055109792,GGA,P2_1/m,AB2C2D_mP12_11_e_2e_2e_e:Cl-H-O-Yb,,"Invalid WP multiplicities - AB2C2D_mP12_11_e_3e_3e_e:Cl-H-O-Yb, expected YbH3ClO3 to be YbH2ClO2" +mp-1191250,YbH2ClO2,-5.2603272396,-1.9158314975,0.082262443,0.082262443,GGA,Pnma,AB2C2D_oP24_62_c_2c_2c_c:Cl-H-O-Yb,,AB2C2D_oP24_62_c_2c_2c_c:Cl-H-O-Yb +mp-1195507,YbH12(ClO2)3,-4.9447113168,-1.4229811774,0.0289969488,0.0289969488,GGA,P2/c,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-Yb,,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-Yb +mp-1070852,YbHCl,-4.107359915,-1.8470695867,0.0,-0.0406586988,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-H-Yb,,ABC_tP6_129_c_a_c:Cl-H-Yb +mp-556183,Pr3U(ClO2)3,-8.183834545,-3.5023061202,0.0039493473,0.0039493473,GGA,P6_3/m,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-U,26.0,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-U +mp-1193240,U2Hg5(AsO9)2,-6.1722843026,-1.6367341005,0.1274310749,0.1274310749,GGA,P-1,A2B5C18D2_aP27_2_i_a2i_9i_i:As-Hg-O-U,27.0,A2B5C18D2_aP27_2_i_a2i_9i_i:As-Hg-O-U +mp-1208615,ThZn(N3O13)2,-6.0808025096,-0.5717884536,0.3442569608,0.3442569608,GGA,P2_1/c,A6B26CD_mP68_14_3e_13e_a_d:N-O-Th-Zn,68.0,A6B26CD_mP68_14_3e_13e_a_b:N-O-Th-Zn +mp-14624,K5P2Au,-2.8290013569,-0.3724411383,0.0,-0.0204609435,GGA,P6_3/mmc,AB5C2_hP16_194_c_def_f:Au-K-P,16.0,"Invalid WP multiplicities - AB5C2_hP16_194_c_2d3e2f_f:Au-K-P, expected K12P2Au to be K5P2Au" +mp-862850,KPAuSe3,-4.0842088608000005,-0.7033225464,0.0,-0.0068950806,GGA,C2/m,ABCD3_mC24_12_g_i_i_ij:Au-K-P-Se,12.0,"Invalid WP multiplicities - ABCD3_mC24_12_g_i_i_2ij:Au-K-P-Se, expected KPAuSe4 to be KPAuSe3" +mp-9687,K2PAu,-3.2129733662,-0.4859777661,0.0,-0.1079223045,GGA,Cmcm,AB2C_oC16_63_a_g_c:Au-K-P,8.0,AB2C_oC16_63_a_g_c:Au-K-P +mp-866660,K3P2AuSe8,-4.0742709039,-0.8314869271,0.0,-0.0083930096,GGA,Cc,AB3C2D8_mC56_9_a_3a_2a_8a:Au-K-P-Se,28.0,AB3C2D8_mC56_9_a_3a_2a_8a:Au-K-P-Se +mp-1206828,Eu2YTaO6,-10.321113221,-3.4692747599,0.0650074484,0.0650074484,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ta-Y +mp-770073,EuY2O4,-9.8408000418,-3.7012716315,0.0326776209,0.0326776209,GGA,P2_1/m,AB4C2_mP28_11_2e_8e_4e:Eu-O-Y,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Eu-O-Y, expected EuY5O13 to be EuY2O4" +mp-1178347,EuY2O4,-9.8400302968,-3.7005018865,0.0334473659,0.0334473659,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Eu-O-Y,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_13c_5c:Eu-O-Y, expected EuY5O13 to be EuY2O4" +mp-754557,EuY2O4,-9.86172908,-3.7222006698,0.0117485827,0.0117485827,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Eu-O-Y,14.0,AB4C2_cF56_227_a_e_d:Eu-O-Y +mp-771309,Eu2Y2O5,-9.968650075,-3.5041623658,0.0977123304,0.0977123304,GGA,P2/c,A2B5C2_mP36_13_2g_ef4g_2g:Eu-O-Y,36.0,"Invalid WP multiplicities - A2B5C2_mP36_13_3g_2e2f13g_7g:Eu-O-Y, expected Eu3Y7O15 to be Eu2Y2O5" +mp-769167,EuYO2,-9.8267600075,-3.1725474235,0.0946581723,0.0946581723,GGA,R-3m,AB2C_hR12_166_a_c_b:Eu-O-Y,4.0,AB2C_hR12_166_a_c_b:Eu-O-Y +mp-676749,Li2UCl6,-5.0695314578,-2.1583674907,0.0086286433,0.0086286433,GGA,P-31m,A6B2C_hP9_162_k_c_b:Cl-Li-U,9.0,A6B2C_hP9_162_k_c_b:Cl-Li-U +mp-1193519,LiU2Cl3O8,-6.6820808814,-1.7098764131,0.7554382358,0.7554382358,GGA,P-1,A3BC8D2_aP28_2_3i_i_8i_2i:Cl-Li-O-U,28.0,A3BC8D2_aP28_2_3i_i_8i_2i:Cl-Li-O-U +mp-1207009,Ba2HfUO6,-9.082494954,-3.6058268353,0.031523969,0.031523969,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-U +mp-1087496,NpCuPO,-8.5528049138,-1.7010605215,0.0,-0.1113341117,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Np-O-P,8.0,ABCD_tP8_129_a_c_b_c:Cu-Np-O-P +mp-1225199,EuTaNO2,-10.749920172,-2.6809898165,0.0101779358,0.0101779358,GGA,P4/mmm,ABC2D_tP5_123_c_a_e_b:Eu-N-O-Ta,5.0,ABC2D_tP5_123_c_a_e_b:Eu-N-O-Ta +mp-1019733,Eu(NO3)3,-7.4627091444,-1.3252718386,0.0,-0.2141250728,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Eu-N-O,52.0,AB3C9_mP52_14_e_3e_9e:Eu-N-O +mp-1204428,EuN3O14,-6.2634009094,-0.4567271021,0.5004136702,0.5004136702,GGA,P-1,AB3C14_aP36_2_i_3i_14i:Eu-N-O,36.0,AB3C14_aP36_2_i_3i_14i:Eu-N-O +mp-1225991,CsCrO3F,-6.6614700225,-2.1114708653,0.0,-0.0262930194,GGA+U,Cc,ABCD3_mC24_9_a_a_a_3a:Cr-Cs-F-O,12.0,ABCD3_mC24_9_a_a_a_3a:Cr-Cs-F-O +mp-4359,Sr2PdO3,-6.295895815,-2.3960733399,0.0,-0.0280979296,GGA,Immm,A3BC2_oI12_71_ce_a_e:O-Pd-Sr,6.0,A3BC2_oI12_71_ce_a_e:O-Pd-Sr +mp-28201,Sr4(PPd)5,-5.2127994746,-0.9468069463,0.0,-0.0410005259,GGA,Cmcm,A5B5C4_oC56_63_5c_a4c_2f:P-Pd-Sr,28.0,"Invalid WP multiplicities - A5B5C4_oC56_63_9c_2a4c_2f:P-Pd-Sr, expected Sr4(P3Pd2)3 to be Sr4(PPd)5" +mp-649419,Sr2(PPd)3,-5.3033852272,-0.9085677451,0.0,-0.011972237,GGA,Pmmm,A3B3C2_oP32_47_2ijk2l_abgh2j2k_ijkl:P-Pd-Sr,32.0,"Invalid WP multiplicities - A3B3C2_oI32_71_4e2f_2ab6f_2e3f:P-Pd-Sr, expected Sr10(P4Pd5)3 to be Sr2(PPd)3" +mp-1179773,Sr2(PPd)3,-5.2935387819,-0.8987212998,0.0098464453,-0.0021257917,GGA,Immm,A3B3C2_oI32_71_2ef_ab2f_ef:P-Pd-Sr,16.0,A3B3C2_oI32_71_2ef_ab2f_ef:P-Pd-Sr +mp-760103,Sr15Pd5O24,-6.3216859261,-2.4589054734,0.0153142724,0.0153142724,GGA,C2,A24B5C15_mC88_5_12c_a2c_a2b6c:O-Pd-Sr,44.0,"Invalid WP multiplicities - A24B5C15_mC88_5_21c_a3c_a2b11c:O-Pd-Sr, expected Sr25(PdO6)7 to be Sr15Pd5O24" +mp-1218885,Sr15Pd5O24,-6.3223965586,-2.4596161059,0.0146036399,0.0146036399,GGA,R32,A24B5C15_hR132_155_4f_a2c_bcdef:O-Pd-Sr,44.0,"Invalid WP multiplicities - A24B5C15_hR132_155_24f_a4c_bc3d3ef:O-Pd-Sr, expected Sr3PdO16 to be Sr15Pd5O24" +mp-1187190,SrPdO3,-6.020320384,-1.6784321046,0.0701218605,0.0701218605,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pd-Sr,5.0,A3BC_cP5_221_c_b_a:O-Pd-Sr +mp-7561,SrPd3O4,-6.1068776525,-1.4798909365,0.0,-0.0873243391,GGA,Pm-3n,A4B3C_cP16_223_e_c_a:O-Pd-Sr,16.0,A4B3C_cP16_223_e_c_a:O-Pd-Sr +mp-29775,Sr4PdO6,-6.3666993468,-2.5832459022,0.0,-0.0475396981,GGA,R-3c,A6BC4_hR66_167_f_b_ae:O-Pd-Sr,22.0,A6BC4_hR66_167_f_b_ae:O-Pd-Sr +mp-1208663,SrP2PdO7,-7.3641119775,-2.6074936816000003,0.0,-0.0134244152,GGA,Pnma,A7B2CD_oP44_62_3c2d_2c_a_c:O-P-Pd-Sr,44.0,A7B2CD_oP44_62_3c2d_2c_a_c:O-P-Pd-Sr +mp-3385,Sr(PPd)2,-5.401471912,-0.8262994947000001,0.0,-0.0095435181,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Pd-Sr,5.0,A2B2C_tI10_139_e_d_a:P-Pd-Sr +mp-1213147,CsSm(WO4)2,-8.5654271017,-2.6401138802,0.0,-0.0266992346,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Sm-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Sm-W +mp-8446,K2CuP,-3.2615390675,-0.3282122998,0.0,-0.0362132032,GGA,Cmcm,AB2C_oC16_63_a_g_c:Cu-K-P,8.0,AB2C_oC16_63_a_g_c:Cu-K-P +mp-568611,KCuPSe3,-4.2428570461,-0.7244166200000001,0.0,-0.0106764553,GGA,P2_1/c,ABCD3_mP72_14_3e_3e_3e_9e:Cu-K-P-Se,72.0,"Invalid WP multiplicities - ABCD3_mP72_14_8e_8e_6e_35e:Cu-K-P-Se, expected K8Cu8P6Se35 to be KCuPSe3" +mp-622199,KCuP2Se5,-4.3398130094,-0.6158387852,0.0,-0.0098964709,GGA,P2_1/c,ABC2D5_mP36_14_e_e_2e_5e:Cu-K-P-Se,36.0,"Invalid WP multiplicities - ABC2D5_mP36_14_e_e_4e_18e:Cu-K-P-Se, expected KCu(P2Se9)2 to be KCuP2Se5" +mp-7439,K3Cu3P2,-3.6359350663,-0.3290073332,0.0,-0.0556399738,GGA,R-3m,A3B3C2_hR24_166_d_ac_c:Cu-K-P,8.0,"Invalid WP multiplicities - A3B3C2_hR24_166_d_a2c_c:Cu-K-P, expected K5Cu3P2 to be K3Cu3P2" +mp-572944,CsUCrO6,-8.5079489803,-2.7835054114,0.0,-0.0273287432,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Cr-Cs-O-U,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_20e_e:Cr-Cs-O-U, expected CsUCrO20 to be CsUCrO6" +mp-676286,Zr4CdO9,-9.07372478,-3.3855897313,0.079002185,0.079002185,GGA,C2/m,AB9C4_mC56_12_ad_9i_4i:Cd-O-Zr,28.0,"Invalid WP multiplicities - AB9C4_mC56_12_ac_17i_6i:Cd-O-Zr, expected Zr6CdO17 to be Zr4CdO9" +mp-541299,Zr4Cd(PO4)6,-8.4355917871,-3.1123336046,0.0,-0.0159053449,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Cd-O-P-Zr,35.0,AB24C6D4_hR105_148_a_4f_f_2c:Cd-O-P-Zr +mp-1016845,ZrCdO3,-7.35207437,-2.4899430653,0.344875589,0.344875589,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cd-O-Zr,5.0,AB3C_cP5_221_a_c_b:Cd-O-Zr +mp-4474,V4GaS8,-6.7984068446,-1.2249207494,0.0,-0.0289554507,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ga-S-V,13.0,AB8C4_cF52_216_a_2e_e:Ga-S-V +mp-1216477,V8Ga3(MoS6)4,-6.9378152628,-1.1836374712,0.0192027096,0.0192027096,GGA,P1,A3B4C24D8_aP39_1_3a_4a_24a_8a:Ga-Mo-S-V,39.0,A3B4C24D8_aP39_1_3a_4a_24a_8a:Ga-Mo-S-V +mp-685874,V(MoS2)2,-7.5757250623,-0.8155813827,0.3045682117,0.3045682117,GGA,P1,A2B4C_aP56_1_16a_32a_8a:Mo-S-V,56.0,A2B4C_aP56_1_16a_32a_8a:Mo-S-V +mp-1100966,V(MoS2)2,-7.2873483879,-0.5272047082,0.5929448862000001,0.5929448862000001,GGA,P1,A2B4C_aP56_1_16a_32a_8a:Mo-S-V,56.0,A2B4C_aP56_1_16a_32a_8a:Mo-S-V +mp-555370,V(MoS2)2,-7.8018664743,-1.0417227946,0.0784267998,0.0784267998,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Mo-S-V,7.0,"Invalid WP multiplicities - A2B4C_mC14_12_i_3i_a:Mo-S-V, expected V(MoS3)2 to be V(MoS2)2" +mp-1192730,V(MoS2)2,-7.8023465875,-1.0422029079,0.0779466865,0.0779466865,GGA,C2/c,A2B4C_mC56_15_2f_4f_f:Mo-S-V,28.0,A2B4C_mC56_15_2f_4f_f:Mo-S-V +mp-1216571,V2MoS4,-7.6784272371,-1.1699612775,0.0404331981,0.0404331981,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Mo-S-V,7.0,AB4C2_mC14_8_a_4a_2a:Mo-S-V +mp-1216339,VGaMo3S8,-7.0909418992,-1.1108994871,0.050063558,0.050063558,GGA,R3m,AB3C8D_hR39_160_a_b_2a2b_a:Ga-Mo-S-V,13.0,AB3C8D_hR39_160_a_b_2a2b_a:Ga-Mo-S-V +mp-558805,Na3Nd(BO3)2,-7.1195692298,-2.8050159696,0.0,-0.0173927535,GGA,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Na-Nd-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_6e_10e_e_21e:B-Na-Nd-O, expected Na10Nd(B2O7)3 to be Na3Nd(BO3)2" +mp-1210464,Na2Nd2B2O7,-7.741214435,-3.1129875141,0.0,-0.0094229378,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Na-Nd-O,52.0,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Na-Nd-O +mp-1210255,Na3Nd9B8O27,-8.3163749406,-3.3402763844,0.0,-0.0037479457,GGA,P-62m,A8B3C9D27_hP47_189_ceh_f_gi_gijl:B-Na-Nd-O,47.0,A8B3C9D27_hP47_189_ceh_f_gi_gijl:B-Na-Nd-O +mp-1180646,NaNdB6O13,-7.4025870505,-2.1419214982,0.5650953219,0.5650953219,GGA,P-1,A6BCD13_aP42_2_6i_i_i_13i:B-Na-Nd-O,42.0,A6BCD13_aP42_2_6i_i_i_13i:B-Na-Nd-O +mp-1198569,NaNdB6O13,-7.7878164981,-2.5271509458,0.1798658743,0.1798658743,GGA,P-1,A6BCD13_aP42_2_6i_i_i_13i:B-Na-Nd-O,42.0,A6BCD13_aP42_2_6i_i_i_13i:B-Na-Nd-O +mp-556808,RbNb(BO3)2,-8.3059622622,-2.89388677,0.0,-0.0241484688,GGA,Pc,A2BC6D_mP100_7_10a_5a_30a_5a:B-Nb-O-Rb,100.0,"Invalid WP multiplicities - A2BC6D_mP100_7_20a_10a_60a_8a:B-Nb-O-Rb, expected Rb4Nb5(BO3)10 to be RbNb(BO3)2" +mp-6760,Na3La9B8O27,-8.3975050089,-3.3892631112,0.0,-0.0077990747,GGA,P-62m,A8B9C3D27_hP47_189_ceh_gi_f_gijl:B-La-Na-O,47.0,"Invalid WP multiplicities - A8B9C3D27_hP47_189_ceh_gi_f_gij2l:B-La-Na-O, expected Na3La9B8O39 to be Na3La9B8O27" +mp-1210472,Na3La(BO3)2,-7.1489289558,-2.8203873896,0.0,-0.0156172075,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-La-Na-O,48.0,A2BC3D6_mP48_14_2e_e_3e_6e:B-La-Na-O +mp-560129,Na3La2(BO3)3,-7.6375995147,-3.0259545851,0.0007626682,0.0007626682,GGA,Amm2,A3B2C3D9_oC34_38_ae_d_a2b_adef:B-La-Na-O,17.0,"Invalid WP multiplicities - A3B2C3D9_oC34_38_a2e_d_a2b_a2d2e2f:B-La-Na-O, expected Na3La2B5O17 to be Na3La2(BO3)3" +mp-1191565,SmPS,-6.4867908337,-1.7306779976,0.0,-0.0623766379,GGA,Pnma,ABC_oP24_62_d_2c_2c:P-S-Sm,24.0,ABC_oP24_62_d_2c_2c:P-S-Sm +mp-572833,Cs3Sm(PS4)2,-5.0336362434,-1.367707872,0.0,-0.0621614434,GGA,P2_1/c,A3B2C8D_mP56_14_3e_2e_8e_e:Cs-P-S-Sm,56.0,"Invalid WP multiplicities - A3B2C8D_mP56_14_10e_8e_30e_e:Cs-P-S-Sm, expected Cs10Sm(P4S15)2 to be Cs3Sm(PS4)2" +mp-3897,SmPS4,-5.833092804,-1.3868114524,0.0,-0.0932385157,GGA,I4_1/acd,AB4C_tI96_142_e_2g_ab:P-S-Sm,48.0,"Invalid WP multiplicities - AB4C_tI96_142_e_3g_ab:P-S-Sm, expected SmPS6 to be SmPS4" +mp-1220884,NaTiVS4,-6.4343619186,-1.4561157975,0.0,-0.0008749544,GGA,Cm,AB4CD_mC14_8_a_4a_a_a:Na-S-Ti-V,7.0,AB4CD_mC14_8_a_4a_a_a:Na-S-Ti-V +mp-21181,YbNiB4,-6.0736973075,-0.4008119669,0.0715532651,0.0715532651,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Ni-Yb,,"Invalid WP multiplicities - A4BC_oP24_55_12h_g_g:B-Ni-Yb, expected YbNiB12 to be YbNiB4" +mp-1101945,YbNi4B,-5.6667239075,-0.4434661124,0.0,-0.0107704328,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Yb,,AB4C_hP12_191_c_di_ab:B-Ni-Yb +mp-864632,Yb4Ni13C4,-5.9315676948,-0.302288079,0.0,-0.0225071858,GGA,Cmmm,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Yb,,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Yb +mp-8792,Yb11(Ni10C)6,-5.6808566042,-0.2377931647,0.0,-0.015605261,GGA,Im-3m,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Yb,,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Yb +mp-1103128,Yb4Ni2C5,-5.8480270791,-0.0423876298,0.2025052833,0.2025052833,GGA,Pmm2,A5B2C4_oP11_25_a2f_f_bce:C-Ni-Yb,,A5B2C4_oP11_25_a2f_f_bce:C-Ni-Yb +mp-14344,Yb2(NiB2)3,-5.9271649873,-0.4275306941,0.0524635533,0.0524635533,GGA,Cmmm,A6B3C2_oC22_65_gp_ah_j:B-Ni-Yb,,A6B3C2_oC22_65_gp_ah_j:B-Ni-Yb +mp-1193375,Yb2(Ni7B2)3,-6.0110030759,-0.3372638529,0.0,-0.0051821517,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-Yb,,A6B21C2_cF116_225_e_afh_c:B-Ni-Yb +mp-6286,YbNi2B2C,-6.3903271083,-0.4424386626,0.0,-0.0348144411,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Yb,,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Yb +mp-1207614,Yb3Ni19B10,-6.0879603803,-0.4243560219,0.0,-0.0062612266,GGA,C2/m,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Yb,,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Yb +mp-1064469,YbNiC2,-6.7557956725,-0.3115266862,0.0,-0.087673737,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Yb,,A2BC_oC8_38_d_a_b:C-Ni-Yb +mp-1202708,Yb4NiB13,-5.729467605,-0.2422085594,0.221863226,0.221863226,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Ni-Yb,,A13BC4_tP36_128_agi_b_h:B-Ni-Yb +mp-1204889,Yb2(Ni2B)5,-5.9779272864,-0.4321895091,0.0062807857,0.0062807857,GGA,Pbca,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Yb,,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Yb +mp-866809,YbB2C,-6.3933480847,-0.3615837561,0.0,-0.0266708887,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Yb,,A2BC_tP32_135_2h_h_g:B-C-Yb +mp-1086653,Yb(BC)2,-6.943740643,-0.2725960817,0.0182259784,0.0182259784,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Yb,,A2B2C_tP10_131_j_l_f:B-C-Yb +mp-865970,Yb3Ni13B2,-5.5812928506,-0.4079936716,0.0,-0.0280563289,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Yb,,"Invalid WP multiplicities - A2B13C3_hP18_191_c_g2h2i_ae:B-Ni-Yb, expected Yb3Ni23B2 to be Yb3Ni13B2" +mp-569740,Yb2(Ni5B3)3,-6.1774626721,-0.4122398761,0.0,-0.0139067011,GGA,Cmce,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Yb,,"Invalid WP multiplicities - A9B15C2_oC208_64_4d8f21g_2a2b4e4f45g_2e3f:B-Ni-Yb, expected Yb5(Ni50B27)2 to be Yb2(Ni5B3)3" +mp-1215865,Yb3Ni7B2,-5.29941096,-0.4295305315,0.0868022092,0.0179870735,GGA,P-6m2,A2B7C3_hP12_187_ac_bn_def:B-Ni-Yb,,A2B7C3_hP12_187_ac_bn_def:B-Ni-Yb +mp-570788,Yb3Ni7B2,-5.3862131692,-0.5163327407,0.0,-0.0688151356,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Ni-Yb,,A2B7C3_hP24_194_2b2c_2a2k_2d2f:B-Ni-Yb +mp-1194659,CsNbV2O8,-8.3363023765,-2.608133273,0.0,-0.0157223337,GGA+U,P2_1/m,ABC8D2_mP48_11_2e_2e_8e4f_4e:Cs-Nb-O-V,48.0,ABC8D2_mP48_11_2e_2e_8e4f_4e:Cs-Nb-O-V +mp-1213039,Dy(ZnP)3,-4.1243649507,-0.6063756379,0.0,-0.0115291218,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:Dy-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:Dy-P-Zn +mp-5767,DyPO4,-8.4741214675,-3.5063141022,0.0,-0.1616422458,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Dy-O-P,12.0,AB4C_tI24_141_a_h_b:Dy-O-P +mp-779125,DyP5O14,-7.8675407241,-2.8211936576000003,0.0124535887,-0.0028040268,GGA,P2_1/c,AB14C5_mP80_14_e_14e_5e:Dy-O-P,80.0,"Invalid WP multiplicities - AB14C5_mP80_14_e_43e_9e:Dy-O-P, expected DyP9O43 to be DyP5O14" +mp-554583,DyP5O14,-7.8799943129,-2.8336472463,0.0,-0.0152576155,GGA,C2/c,AB14C5_mC160_15_2e_14f_5f:Dy-O-P,80.0,"Invalid WP multiplicities - AB14C5_mC160_15_4e_52f_16f:Dy-O-P, expected Dy(P4O13)2 to be DyP5O14" +mp-779893,DyP5O14,-7.8708579544,-2.8245108878,0.0091363585,-0.006121257,GGA,Pnma,AB14C5_oP80_62_c_2c6d_c2d:Dy-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_62_c_6c23d_4c5d:Dy-O-P, expected Dy(P7O26)2 to be DyP5O14" +mp-779420,Dy2P4O13,-8.157348765,-3.1482047148,0.0269161359,0.0269161359,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Dy-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:Dy-O-P, expected Dy7(P5O17)3 to be Dy2P4O13" +mp-779463,Dy2P4O13,-8.1636727367,-3.1545286866,0.0205921642,0.0205921642,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Dy-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Dy-O-P, expected DyP5O17 to be Dy2P4O13" +mp-771306,Dy2P4O13,-8.1476906713,-3.1385466212,0.0365742296,0.0365742296,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Dy-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e23f_3f:Dy-O-P, expected Dy(PO8)3 to be Dy2P4O13" +mp-771147,Dy2P4O13,-8.1786125447,-3.1694684946,0.0056523562,0.0056523562,GGA,C222_1,A2B13C4_oC76_20_c_a6c_2c:Dy-O-P,38.0,"Invalid WP multiplicities - A2B13C4_oC76_20_c_2a11c_3c:Dy-O-P, expected Dy(PO4)3 to be Dy2P4O13" +mp-549728,DyZnPO,-6.1142992362,-2.0576688193,0.0,-0.0329311008,GGA,R-3m,ABCD_hR24_166_c_c_c_c:Dy-O-P-Zn,8.0,ABCD_hR24_166_c_c_c_c:Dy-O-P-Zn +mp-557730,Dy(PO3)3,-8.0427582865,-3.0145357664,0.0077266606,-0.0172832966,GGA,Cc,AB9C3_mC52_9_a_9a_3a:Dy-O-P,26.0,"Invalid WP multiplicities - AB9C3_mC52_9_a_18a_6a:Dy-O-P, expected Dy(PO3)6 to be Dy(PO3)3" +mp-771106,Dy(PO3)3,-8.0504849471,-3.022262427,0.0,-0.0250099572,GGA,P2_1/m,AB9C3_mP52_11_2e_4e7f_2e2f:Dy-O-P,52.0,"Invalid WP multiplicities - AB9C3_mP52_11_3e_7e14f_3e4f:Dy-O-P, expected Dy3P11O35 to be Dy(PO3)3" +mp-1199849,Dy(PO3)3,-8.0460502715,-3.0178277514,0.0044346756,-0.0205752815,GGA,P2_1/c,AB9C3_mP156_14_ab2e_27e_9e:Dy-O-P,156.0,AB9C3_mP156_14_ab2e_27e_9e:Dy-O-P +mp-1213470,Dy(PO)2,-6.676725133,-1.6113712778,0.8343219592000001,0.8343219592000001,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Dy-O-P,20.0,AB2C2_tI40_141_c_h_h:Dy-O-P +mp-1237528,Dy(PO)2,-6.397217518,-1.3318636628,1.1138295742,1.1138295742,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Dy-O-P,20.0,AB2C2_tI40_141_c_h_h:Dy-O-P +mp-1110840,K2PrCuF6,-5.309417647,-3.0524392346,0.2240920438,0.2240920438,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Pr +mp-1110837,K2LiMoF6,-5.646236603,-3.0018121354,0.0,-0.0427871195,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Mo +mp-1217879,YTc2Cl8O9,-4.8084262005,-0.4836141663,0.9283756436,0.9283756436,GGA,P2_1,A8B9C2D_mP40_4_8a_9a_2a_a:Cl-O-Tc-Y,40.0,"Invalid WP multiplicities - A8B9C2D_mP40_4_14a_15a_2a_a:Cl-O-Tc-Y, expected YTc2Cl14O15 to be YTc2Cl8O9" +mp-1237561,YTc2Cl8O9,-4.954590938,-0.6297789038,0.7822109061,0.7822109061,GGA,P2_1,A8B9C2D_mP40_4_8a_9a_2a_a:Cl-O-Tc-Y,40.0,"Invalid WP multiplicities - A8B9C2D_mP40_4_14a_15a_2a_a:Cl-O-Tc-Y, expected YTc2Cl14O15 to be YTc2Cl8O9" +mp-1246190,Ba3(WN2)2,-7.8364090628,-0.6120573983,0.3527402751,0.3527402751,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-W,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-W +mp-1246361,Ba3(WN2)2,-7.9134379144,-0.68908625,0.2757114235,0.2757114235,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-W,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-W +mp-989636,BaWN3,-8.790327832,-0.813009843,0.0100144745,0.0100061467,GGA,C2/m,AB3C_mC20_12_i_3i_i:Ba-N-W,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_4i_i:Ba-N-W, expected BaWN4 to be BaWN3" +mp-989622,BaWN3,-8.8003423065,-0.8230243175,0.0,-8.3278e-06,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Ba-N-W,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Ba-N-W, expected BaWN9 to be BaWN3" +mp-1245852,Ba3W3N5,-8.4116082645,-0.5649000705,0.3225281697,0.3225281697,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-W,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-W +mp-1245780,Li15W7N19,-7.5496439418,-0.7756400837,0.0197496251,0.0197496251,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:Li-N-W,82.0,A15B19C7_aP82_2_bd14i_19i_7i:Li-N-W +mp-14743,Ba3WN4,-7.5930267264,-1.0853973827,0.0,-0.2329717332,GGA,Pbca,A3B4C_oP64_61_3c_4c_c:Ba-N-W,64.0,"Invalid WP multiplicities - A3B4C_oP64_61_3c_6c_c:Ba-N-W, expected Ba3WN6 to be Ba3WN4" +mp-680210,Ba3WN4,-7.5848779453,-1.0772486015,0.0081487811,-0.2248229521,GGA,P31c,A3B4C_hP144_159_a2b8c_12c_3c:Ba-N-W,144.0,"Invalid WP multiplicities - A3B4C_hP144_159_2a4b43c_67c_13c:Ba-N-W, expected Ba45W13N67 to be Ba3WN4" +mp-1206642,LiWN2,-8.5370818,-0.6520710633,0.1058532248,0.1058532248,GGA,R3m,AB2C_hR12_160_a_2a_a:Li-N-W,4.0,AB2C_hR12_160_a_2a_a:Li-N-W +mp-1246178,Ba3WN3,-7.1342269514,-0.8878641193000001,0.0424764944,0.0424764944,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-W,14.0,A3B3C_hP14_176_h_h_c:Ba-N-W +mp-1245410,Li3W2N5,-8.0378871653,-0.7053367968,0.0462875985,0.0462875985,GGA,I4_1,A3B5C2_tI80_80_2a2b_5b_2b:Li-N-W,40.0,A3B5C2_tI80_80_2a2b_5b_2b:Li-N-W +mp-1246718,Li3WN2,-6.4813229875000005,-0.5883415408,0.2501789758,0.2501789758,GGA,P2_1/m,A3B2C_mP12_11_ef_ae_e:Li-N-W,12.0,A3B2C_mP12_11_ef_ae_e:Li-N-W +mp-1246634,Li3WN2,-6.3070788356,-0.414097389,0.4244231277,0.4244231277,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-W,48.0,A3B2C_cI96_206_e_ad_c:Li-N-W +mp-3503,Li6WN4,-6.1654448482,-0.9147496545,0.0,-0.2881811608,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-W,22.0,A6B4C_tP22_137_df_g_a:Li-N-W +mp-6665,Ba4LiW2N7,-7.7591258027,-1.0550866911,0.0,-0.0467412861,GGA,P2/c,A4BC7D2_mP56_13_ef3g_g_af6g_2g:Ba-Li-N-W,56.0,"Invalid WP multiplicities - A4BC7D2_mP56_13_2ef3g_g_be9g_2g:Ba-Li-N-W, expected Ba9Li2(WN5)4 to be Ba4LiW2N7" +mp-1044915,Ba2YNi2F11,-6.163926134,-3.4832409467,0.1625931828,0.1625931828,GGA+U,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-Ni-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-Ni-Y, expected Ba5YNi5F31 to be Ba2YNi2F11" +mp-1445738,YNiF5,-6.4301464529,-3.3152889342,0.2089893911,0.2089893911,GGA+U,Immm,A5BC_oI14_71_ceg_b_a:F-Ni-Y,7.0,A5BC_oI14_71_ceg_b_a:F-Ni-Y +mp-1112168,K2TlCuF6,-4.3989827980000005,-2.3838306464,0.0474052889,0.0474052889,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Tl +mp-1112639,Cs2VAgF6,-5.225700564,-2.7080865018,0.1403449108,0.1403449108,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-V,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-V +mp-1111937,K2HgAuF6,-3.741546325,-2.0148229186,0.113564434,0.113564434,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Hg-K +mp-1207461,Zr6PI14,-5.0026482064,-1.3204274833,0.0,-0.0357462705,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:I-P-Zr,42.0,A14BC6_oC84_64_def2g_a_fg:I-P-Zr +mp-1227847,CsZr18(PI14)3,-4.9627335777,-1.3240568913,0.004067216,0.004067216,GGA,C2/m,AB42C3D18_mC256_12_i_gh6i17j_ad2i_6i6j:Cs-I-P-Zr,128.0,"Invalid WP multiplicities - AB42C3D18_mC256_12_i_2g2h12i65j_ac3i_12i24j:Cs-I-P-Zr, expected CsZr60(P2I73)2 to be CsZr18(PI14)3" +mp-541097,Zr3Pb(O2F3)2,-7.9942880725,-3.6649039575,0.0,-0.0054491057,GGA,Fm-3m,A6B4CD3_cF112_225_h_f_c_e:F-O-Pb-Zr,28.0,A6B4CD3_cF112_225_h_f_c_e:F-O-Pb-Zr +mp-1215388,Zr6Pb(OF11)2,-7.3141415758,-3.8643104288,0.0026902506,0.0026902506,GGA,P6_3mc,A22B2CD6_hP62_186_a5cd_2b_b_2c:F-O-Pb-Zr,62.0,"Invalid WP multiplicities - A22B2CD6_hP62_186_a9cd_4b_b_4c:F-O-Pb-Zr, expected Zr12Pb(O2F17)2 to be Zr6Pb(OF11)2" +mp-7310,ZrPbF6,-6.5093492156,-3.5431965275,0.0,-0.0287646931,GGA,Cmme,A6BC_oC32_67_mo_g_a:F-Pb-Zr,16.0,"Invalid WP multiplicities - A6BC_oC32_67_m2o_g_a:F-Pb-Zr, expected ZrPbF10 to be ZrPbF6" +mp-29232,ZrPb3F10,-5.9372744225,-3.1658150286,0.0084721336,0.0084721336,GGA,Cmcm,A10B3C_oC56_63_efgh_cg_c:F-Pb-Zr,28.0,A10B3C_oC56_63_efgh_cg_c:F-Pb-Zr +mp-541593,ZrPb2F8,-6.1308638514,-3.2886068959,0.0198291264,0.0198291264,GGA,Pnma,A8B2C_oP44_62_2c3d_2c_c:F-Pb-Zr,44.0,A8B2C_oP44_62_2c3d_2c_c:F-Pb-Zr +mp-1245999,ZnOsN2,-7.0320859325,0.25793929,0.2712490233,0.2712490233,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Os-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Os-Zn +mp-1207397,ZnOs2(NO2)4,-6.196749352,0.245515172,1.38318546,1.38318546,GGA,F-43m,A4B8C2D_cF60_216_e_2e_ac_b:N-O-Os-Zn,15.0,A4B8C2D_cF60_216_e_2e_ac_b:N-O-Os-Zn +mp-1245949,Zn2OsN3,-6.3466257025,0.1127642017,0.1305105128,0.1305105128,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Os-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Os-Zn +mp-1215572,YbSc(BO3)2,-8.288435143,-3.1973358236,0.0015127078,0.0015127078,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Yb,,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Yb +mp-1209477,Rb2Li4UO6,-6.3521065608,-2.4622371847,0.1285891562,0.1285891562,GGA,P-3m1,A4B6C2D_hP13_164_be_i_d_a:Li-O-Rb-U,13.0,A4B6C2D_hP13_164_be_i_d_a:Li-O-Rb-U +mp-1064703,Sr2UNi,-4.0057674425,1.1068659567,1.2200826203,1.2200826203,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ni-Sr-U,4.0,AB2C_cF16_225_a_c_b:Ni-Sr-U +mp-560410,Sr2UNiO6,-8.0511661165,-3.0380995301,0.098517915,0.098517915,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ni-O-Sr-U,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_9e_e_d:Ni-O-Sr-U, expected Sr2UNiO18 to be Sr2UNiO6" +mp-1220235,NdYCo14B,-7.0542207522,-0.1465466671,0.0,-0.00251702,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Y,68.0,AB14CD_tP68_136_f_ce2j2k_f_g:B-Co-Nd-Y +mp-1220135,NdY3(Co4B)4,-7.1377697879,-0.2786775973,0.0100375457,0.0100375457,GGA,P6/mmm,A4B16CD3_hP24_191_h_cd2i_a_be:B-Co-Nd-Y,24.0,"Invalid WP multiplicities - A4B16CD3_hP24_191_h_2c2d11i_a_be:B-Co-Nd-Y, expected NdY3(Co37B2)2 to be NdY3(Co4B)4" +mp-1111379,K2AlTlF6,-5.152580903,-3.1727918354,0.0372993607,0.0372993607,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Tl +mp-1212375,GdGa3(BO3)4,-8.2385006775,-2.7765885812,0.0124934867,0.0124934867,GGA,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Ga-Gd-O,20.0,A4B3CD12_hR60_155_ad_e_b_2df:B-Ga-Gd-O +mp-1217448,Th4P6PbO24,-8.5826697183,-3.3092861703,0.0,-0.0047513194,GGA,P1,A24B6CD4_aP35_1_24a_6a_a_4a:O-P-Pb-Th,35.0,A24B6CD4_aP35_1_24a_6a_a_4a:O-P-Pb-Th +mp-1225602,Er4ThCN4,-8.394907336,-1.5689694678,0.051675499,0.051675499,GGA,I4/mmm,AB4C4D_tI20_139_a_2e_2e_b:C-Er-N-Th,10.0,"Invalid WP multiplicities - AB4C4D_tI20_139_a_3e_3e_b:C-Er-N-Th, expected Er6ThCN6 to be Er4ThCN4" +mp-1225387,ErThCN,-8.4252215425,-1.0385371731,0.0776408425,0.0776408425,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:C-Er-N-Th,4.0,ABCD_tP4_123_a_b_d_c:C-Er-N-Th +mp-1228703,BSbPbS4,-5.1382572493,-0.7001373138,0.0,-0.0095874938,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:B-Pb-S-Sb,14.0,ABC4D_mP14_4_a_a_4a_a:B-Pb-S-Sb +mp-555237,PrSClO4,-7.0105102839,-2.6458464087,4.46585e-05,4.46585e-05,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Cl-O-Pr-S,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_15e_e_e:Cl-O-Pr-S, expected PrSClO15 to be PrSClO4" +mp-1246601,Ba3Y2N4,-6.7552854344,-0.9735246848,0.173601632,0.173601632,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ba-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Ba-N-Y +mp-1245452,Ba3Y2N4,-6.7131912939,-0.9314305443,0.2156957726,0.2156957726,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Y,36.0,A3B4C2_oP36_52_ce_2e_cd:Ba-N-Y +mp-11670,BaYSi4N7,-8.2435659912,-1.4403211721,0.0,-0.0139827232,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-N-Si-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Ba-N-Si-Y +mp-1245853,Ba3YN3,-5.9264486121,-0.6074656538000001,0.3338832262,0.3338832262,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Y,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Y +mp-1246917,Ba3Y3N5,-7.1922770086,-1.1160213009,0.1620542939,0.1620542939,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Y,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Y +mp-560911,Mn3B7BrO13,-8.4847810283,-2.6472072847,0.0,-0.0320060801,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Br-Mn-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_21a_a_8a_47a:B-Br-Mn-O, expected Mn8B21BrO47 to be Mn3B7BrO13" +mp-555775,Mn3B7BrO13,-8.4755765298,-2.6380027861,0.0092044985,-0.0228015815,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Mn-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_2c3e_a_d_2b3h:B-Br-Mn-O, expected Mn3B18BrO38 to be Mn3B7BrO13" +mp-652407,Ru(CO)4,-8.2897444489,-0.9590978539,0.2211314339,0.2211314339,GGA,P2_1/c,A4B4C_mP108_14_12e_12e_3e:C-O-Ru,108.0,"Invalid WP multiplicities - A4B4C_mP108_14_46e_46e_8e:C-O-Ru, expected Ru4(CO)23 to be Ru(CO)4" +mp-616541,Ru(CO)4,-8.2409025283,-0.9102559333,0.2699733544,0.2699733544,GGA,Iba2,A4B4C_oI36_45_2c_2c_a:C-O-Ru,18.0,"Invalid WP multiplicities - A4B4C_oI36_72_3j_5j_c:C-O-Ru, expected Ru(C3O5)2 to be Ru(CO)4" +mp-655353,Ru(CO)4,-8.2907766761,-0.9601300811,0.2200992067,0.2200992067,GGA,Ibam,A4B4C_oI36_72_2j_2j_c:C-O-Ru,18.0,"Invalid WP multiplicities - A4B4C_oI36_72_3j_5j_c:C-O-Ru, expected Ru(C3O5)2 to be Ru(CO)4" +mp-1196196,NiRu5C17O16,-8.2255154071,-0.8361184293,0.2612902175,0.2612902175,GGA+U,P-1,A17BC16D5_aP78_2_17i_i_16i_5i:C-Ni-O-Ru,78.0,A17BC16D5_aP78_2_17i_i_16i_5i:C-Ni-O-Ru +mp-653243,Ru4C14O13,-8.3019603674,-0.8630610029,0.250542438,0.250542438,GGA,P-1,A14B13C4_aP62_2_14i_13i_4i:C-O-Ru,62.0,"Invalid WP multiplicities - A14B13C4_aP62_2_27i_26i_7i:C-O-Ru, expected Ru7C27O26 to be Ru4C14O13" +mp-999138,SmTlS2,-5.55557399,-1.7170417361,0.0,-0.0457359532,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Sm-Tl,4.0,A2BC_hR12_166_c_a_b:S-Sm-Tl +mp-1195564,SmTl2P2S7,-5.1486831613,-1.0465476188,0.0,-0.0261698952,GGA,C2/c,A2B7CD2_mC96_15_2f_7f_f_2f:P-S-Sm-Tl,48.0,A2B7CD2_mC96_15_2f_7f_f_2f:P-S-Sm-Tl +mp-1199256,Ag13As3(IO3)4,-4.4721078758,-0.8454105885000001,0.0059903195,0.0059903195,GGA,P2_1/m,A13B3C4D12_mP64_11_3e5f_3e_4e_6e3f:Ag-As-I-O,64.0,A13B3C4D12_mP64_11_3e5f_3e_4e_6e3f:Ag-As-I-O +mp-1104404,Ni(N4O3)2,-4.607598582,2.2025499745,2.750147218,2.750147218,GGA+U,Fm-3m,A8BC6_cF60_225_ce_a_d:N-Ni-O,15.0,A8BC6_cF60_225_ce_a_d:N-Ni-O +mp-1102696,Ni(N3O2)2,-5.4293800518,1.4420618641,1.9787302595,1.9787302595,GGA+U,C2/m,A6BC4_mC22_12_ij_a_2i:N-Ni-O,11.0,A6BC4_mC22_12_ij_a_2i:N-Ni-O +mp-1103006,Ni(N3O2)2,-7.1574087618,-0.2859668459,0.2507015495,0.2507015495,GGA+U,C2/m,A6BC4_mC22_12_ij_a_2i:N-Ni-O,11.0,A6BC4_mC22_12_ij_a_2i:N-Ni-O +mp-1210164,Ni(NO2)4,-6.6372249473,-0.5834075573,0.2070035023,0.2070035023,GGA+U,C2/c,A4BC8_mC52_15_2f_c_4f:N-Ni-O,26.0,A4BC8_mC52_15_2f_a_4f:N-Ni-O +mp-504722,Ni(NO3)2,-6.7052463833,-0.9126620725,0.0,-0.1616882863,GGA+U,Pa-3,A2BC6_cP36_205_c_a_d:N-Ni-O,36.0,A2BC6_cP36_205_c_a_d:N-Ni-O +mp-1208508,ThNi(N3O13)2,-6.2165376906,-0.5745708973,0.3183590438,0.3183590438,GGA+U,P2_1/c,A6BC26D_mP68_14_3e_a_13e_d:N-Ni-O-Th,68.0,A6BC26D_mP68_14_3e_a_13e_b:N-Ni-O-Th +mp-1191910,Ni(NO4)2,-6.0834055177,-0.4446204068,0.302103107,0.302103107,GGA+U,P2_1/c,A2BC8_mP22_14_e_a_4e:N-Ni-O,22.0,A2BC8_mP22_14_e_a_4e:N-Ni-O +mp-554941,KRb2BiF6,-4.744890259,-2.9068072563,0.0063959409,0.0063959409,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-K-Rb +mp-1110675,K2RbBiF6,-4.685316807,-2.8342473168,0.0979224912,0.0979224912,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Rb +mp-14441,Ti(TlS2)2,-5.1745656143,-1.0079116461,0.0141455967,0.0141455967,GGA,Pbca,A4BC2_oP56_61_4c_c_2c:S-Ti-Tl,56.0,A4BC2_oP56_61_4c_c_2c:S-Ti-Tl +mp-1101049,Ti5TlS8,-6.9524223693,-1.6001579289,0.0,-0.0152661843,GGA,C2/m,A8B5C_mC28_12_4i_a2i_d:S-Ti-Tl,14.0,"Invalid WP multiplicities - A8B5C_mC28_12_7i_a3i_c:S-Ti-Tl, expected Ti7TlS14 to be Ti5TlS8" +mp-1104185,TiTl(VS2)4,-6.9588421157,-1.267030803,0.021436987,0.021436987,GGA,C2/m,A8BCD4_mC28_12_4i_a_d_2i:S-Ti-Tl-V,14.0,A8BCD4_mC28_12_4i_a_c_2i:S-Ti-Tl-V +mp-694085,Ti(TlS)4,-4.7031448842,-0.9373822096,0.0078608475,-0.0604547392,GGA,P1,A4BC4_aP36_1_16a_4a_16a:S-Ti-Tl,36.0,A4BC4_aP36_1_16a_4a_16a:S-Ti-Tl +mp-540939,Ti(TlS)4,-4.7110057317,-0.9452430571,0.0,-0.0683155867,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:S-Ti-Tl,36.0,A4BC4_mP36_14_4e_e_4e:S-Ti-Tl +mp-1192799,V3(Ni10B3)2,-6.6168271,-0.3088683953,0.0,-0.0042408309,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Ni-V,29.0,A6B20C3_cF116_225_e_fh_ac:B-Ni-V +mp-1218307,Ta3V3(Ni10B3)4,-6.7873680864,-0.3359332666,0.0078880654,0.0078880654,GGA,R3m,A12B40C3D3_hR174_160_4b_4a8b2c_3a_3a:B-Ni-Ta-V,58.0,"Invalid WP multiplicities - A12B40C3D3_hR174_160_12b_4a24b11c_3a_3a:B-Ni-Ta-V, expected Ta3V3(Ni71B18)2 to be Ta3V3(Ni10B3)4" +mp-1207902,V2(Ni7B2)3,-6.4703097172,-0.276274095,0.0042567093,0.0042567093,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-V,29.0,A6B21C2_cF116_225_e_afh_c:B-Ni-V +mp-1202747,Sr2H8PtO8,-5.7072806726,-1.6985733949,0.0,-0.0332298224,GGA,P2_1/c,A8B8CD2_mP38_14_4e_4e_a_e:H-O-Pt-Sr,38.0,A8B8CD2_mP38_14_4e_4e_a_e:H-O-Pt-Sr +mp-1208839,Sr2H6Pt,-3.9918147483,-0.6799840265,0.0,-0.211619584,GGA,Cmce,A6BC2_oC36_64_def_a_d:H-Pt-Sr,18.0,A6BC2_oC36_64_def_a_d:H-Pt-Sr +mp-676264,YTh9O20,-9.981001872,-4.2435028857,0.0192452677,0.0192452677,GGA,P-1,A20B9C_aP30_2_10i_a4i_c:O-Th-Y,30.0,"Invalid WP multiplicities - A20B9C_aP30_2_18i_a8i_c:O-Th-Y, expected YTh17O36 to be YTh9O20" +mp-772510,YTh4O10,-9.8264481807,-4.1205287656,0.036329172,0.036329172,GGA,I4/m,A10B4C_tI30_87_di_h_a:O-Th-Y,15.0,"Invalid WP multiplicities - A10B4C_tI30_87_2d3i_h_a:O-Th-Y, expected YTh4O28 to be YTh4O10" +mp-1233234,YTh9MgO20,-9.6921308348,-4.0880905239,0.1360044589,0.1360044589,GGA,P1,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y,31.0,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y +mp-1233450,YTh9MgO20,-9.6680712761,-4.0640309652,0.1600640176,0.1600640176,GGA,P1,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y,31.0,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y +mp-1233875,YTh9MgO20,-9.6883862652,-4.0843459542,0.1397490286,0.1397490286,GGA,P1,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y,31.0,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y +mp-1234698,YTh9MgO20,-9.69102331,-4.0869829991,0.1371119838,0.1371119838,GGA,P1,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y,31.0,AB20C9D_aP31_1_a_20a_9a_a:Mg-O-Th-Y +mp-757205,Y2Th5O13,-9.928306929,-4.2128475929,0.0565520474,0.0565520474,GGA,R3m,A13B5C2_hR60_160_13a_5a_2a:O-Th-Y,20.0,A13B5C2_hR60_160_13a_5a_2a:O-Th-Y +mp-675118,Y2Th8O19,-9.9907263759,-4.2586265917,0.0415712748,0.0415712748,GGA,C2,A19B8C2_mC58_5_2ab8c_4c_c:O-Th-Y,29.0,"Invalid WP multiplicities - A19B8C2_mC58_5_2ab16c_7c_c:O-Th-Y, expected Y2Th14O35 to be Y2Th8O19" +mp-1100894,Y2Th8O19,-9.9468613369,-4.2147615527,0.0854363138,0.0854363138,GGA,Pmm2,A19B8C2_oP29_25_10a9d_4b4c_bc:O-Th-Y,29.0,A19B8C2_oP29_25_10a9d_4b4c_bc:O-Th-Y +mp-1173030,Y2Th8O19,-9.9906554248,-4.2585556407,0.0416422258,0.0416422258,GGA,P-4m2,A19B8C2_tP29_115_abc4e4f_4g_g:O-Th-Y,29.0,"Invalid WP multiplicities - A19B8C2_mC58_5_2ab16c_7c_c:O-Th-Y, expected Y2Th14O35 to be Y2Th8O19" +mp-1198898,CsTh2(PO4)3,-8.4196025,-3.3460863374,0.0,-0.0321444488,GGA,C2/c,AB12C3D2_mC72_15_e_6f_ef_f:Cs-O-P-Th,36.0,AB12C3D2_mC72_15_e_6f_ef_f:Cs-O-P-Th +mp-4192,Ca3AsN,-4.968360585,-1.165877991,0.0,-0.1324732373,GGA,Pnma,AB3C_oP20_62_c_cd_a:As-Ca-N,20.0,AB3C_oP20_62_c_cd_a:As-Ca-N +mp-1013543,Ca3AsN,-3.636222762,0.166259832,1.332137823,1.1996645857,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ca-N,5.0,AB3C_cP5_221_b_c_a:As-Ca-N +mp-7223,Ca3AsN,-4.962536274,-1.16005368,0.005824311,-0.1266489263,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ca-N,5.0,AB3C_cP5_221_a_c_b:As-Ca-N +mp-1214400,CaAsNO11,-5.3111714875,-0.3529722708,0.8538384129000001,0.8538384129000001,GGA,P2_1,ABCD11_mP28_4_a_a_a_11a:As-Ca-N-O,28.0,ABCD11_mP28_4_a_a_a_11a:As-Ca-N-O +mp-1237015,CaAsNO11,-5.5577133464,-0.5995141297000001,0.607296554,0.607296554,GGA,P2_1,ABCD11_mP28_4_a_a_a_11a:As-Ca-N-O,28.0,ABCD11_mP28_4_a_a_a_11a:As-Ca-N-O +mp-1207058,Er2I2O,-4.534974316,-1.1292025098,1.1116325487,1.1116325487,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Er-I-O,5.0,A2B2C_tP5_123_g_g_a:Er-I-O +mp-1181794,ErI3O10,-4.7336465116,-0.5583104421,0.8374814213,0.8374814213,GGA,P2_1/c,AB3C10_mP56_14_e_3e_10e:Er-I-O,56.0,AB3C10_mP56_14_e_3e_10e:Er-I-O +mp-23552,Er(IO3)3,-5.6191617192,-1.5031604684,0.0,-0.0993930555,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Er-I-O,52.0,AB3C9_mP52_14_e_3e_9e:Er-I-O +mp-1213502,ErIO9,-5.2342400611,-0.6377597374,0.5692212764,0.5692212764,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Er-I-O,44.0,ABC9_mP44_14_e_e_9e:Er-I-O +mp-551250,ErBi2IO4,-6.540157055,-2.3515547719,0.0,-0.0365609914,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Er-I-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Er-I-O +mp-1213243,ErI3O11,-5.2509897163,-1.0242301374,0.2785089352,0.2785089352,GGA,P-1,AB3C11_aP30_2_i_3i_11i:Er-I-O,30.0,AB3C11_aP30_2_i_3i_11i:Er-I-O +mp-1225127,EuNbNO2,-10.204470972,-2.4868351345,0.0960701963,0.0960701963,GGA,P4/mmm,ABCD2_tP5_123_c_a_b_e:Eu-N-Nb-O,5.0,ABCD2_tP5_123_c_a_b_e:Eu-N-Nb-O +mp-696353,Al6C3N2,-6.2543698127,-0.1786933302,0.4555346845,0.4555346845,GGA,Pm,A6B3C2_mP11_6_3a3b_2ab_ab:Al-C-N,11.0,A6B3C2_mP11_6_3a3b_2ab_ab:Al-C-N +mp-5798,Al6C3N2,-6.6114506255,-0.535774143,0.0984538718,0.0984538718,GGA,R-3m,A6B3C2_hR33_166_3c_ac_c:Al-C-N,11.0,"Invalid WP multiplicities - A6B3C2_hR33_166_5c_ac_c:Al-C-N, expected Al10C3N2 to be Al6C3N2" +mp-569102,Al7(CN)3,-6.7542299077,-0.683882826,0.0965250335,0.0965250335,GGA,P6_3mc,A7B3C3_hP26_186_3a4b_2ab_a2b:Al-C-N,26.0,"Invalid WP multiplicities - A7B3C3_hP26_186_6a8b_3a2b_a2b:Al-C-N, expected Al14C5N3 to be Al7(CN)3" +mp-541187,Al8C3N4,-6.850884704,-0.7844458495000001,0.1031605627,0.1031605627,GGA,R-3m,A8B3C4_hR45_166_4c_ac_2c:Al-C-N,15.0,A8B3C4_hR45_166_4c_ac_2c:Al-C-N +mp-1217099,Ti8Al4CN3,-8.1415673394,-1.1175429818,0.002745355,0.002745355,GGA,P-3m1,A4BC3D8_hP16_164_2d_a_bc_4d:Al-C-N-Ti,16.0,"Invalid WP multiplicities - A4BC3D8_hP16_164_4d_a_bc_8d:Al-C-N-Ti, expected Ti16Al8CN3 to be Ti8Al4CN3" +mp-1245920,Al(C2N3)3,-8.3927976512,-0.0086712069,0.1893784187,0.1893784187,GGA,Cmcm,AB6C9_oC64_63_c_gh_cfgh:Al-C-N,32.0,AB6C9_oC64_63_c_gh_cfgh:Al-C-N +mp-35327,Al(CN)3,-8.19997815,-0.1369699954,0.3157148632,0.3157148632,GGA,P-42_1m,AB3C3_tP14_113_c_ce_ce:Al-C-N,14.0,"Invalid WP multiplicities - AB3C3_tP14_113_c_c2e_c2e:Al-C-N, expected Al(CN)5 to be Al(CN)3" +mp-1229076,Al(CN)3,-8.2018957986,-0.1388876439,0.3137972146,0.3137972146,GGA,R3m,AB3C3_hR21_160_a_b_b:Al-C-N,7.0,AB3C3_hR21_160_a_b_b:Al-C-N +mp-1204653,AlC6N,-7.4000011906,1.0317567731,1.4278560244,1.4278560244,GGA,Pnma,AB6C_oP32_62_c_2c2d_c:Al-C-N,32.0,AB6C_oP32_62_c_2c2d_c:Al-C-N +mp-1217141,Ti4Al2CN,-8.0578145488,-0.9780295307,0.0020951687,0.0020951687,GGA,P-3m1,A2BCD4_hP8_164_d_a_b_2d:Al-C-N-Ti,8.0,A2BCD4_hP8_164_d_a_b_2d:Al-C-N-Ti +mp-570079,Al5C3N,-6.4587391172,-0.3753646114,0.0477147389,0.0477147389,GGA,P6_3mc,A5B3C_hP18_186_2a3b_2ab_b:Al-C-N,18.0,"Invalid WP multiplicities - A5B3C_hP18_186_4a6b_4a2b_b:Al-C-N, expected Al10C6N to be Al5C3N" +mp-5496,Al5C3N,-6.4534049911,-0.3700304853,0.053048865,0.053048865,GGA,P6_3/mmc,A5B3C_hP18_194_cef_af_b:Al-C-N,18.0,"Invalid WP multiplicities - A5B3C_hP18_194_c2ef_af_b:Al-C-N, expected Al7C3N to be Al5C3N" +mp-1190025,Ba2US6,-6.2204819517,-1.7818087193,0.0,-0.0135504251,GGA,P4_2/nmc,A2B6C_tP18_137_c_dg_a:Ba-S-U,18.0,A2B6C_tP18_137_c_dg_a:Ba-S-U +mp-1195654,Ba9U4(Ag5S12)2,-5.5838727167,-1.5405371563,0.0,-0.0331534402,GGA,I4cm,A10B9C24D4_tI188_108_2b2cd_a2d_2a5c3d_abc:Ag-Ba-S-U,94.0,A10B9C24D4_tI188_108_2b2cd_a2d_2a5c3d_abc:Ag-Ba-S-U +mp-3601,BaUS3,-7.1465245495,-2.0225776394,0.0,-0.0209051555,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-S-U,20.0,AB3C_oP20_62_c_cd_a:Ba-S-U +mp-1190457,Ba3UAgS6,-5.9686000605,-1.9050009664,0.0,-0.0424671673,GGA,R-3c,AB3C6D_hR66_167_a_e_f_b:Ag-Ba-S-U,22.0,AB3C6D_hR66_167_a_e_f_b:Ag-Ba-S-U +mp-1199878,BaU2S5,-7.567586354999999,-1.9195808182,0.0,-0.0159553853,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Ba-S-U,32.0,AB5C2_mP32_14_e_5e_2e:Ba-S-U +mp-1214411,BaU2S5,-7.3154370894,-1.6674315526,0.2521492656,0.2361938803,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ba-S-U,32.0,AB5C2_oP32_62_c_3cd_d:Ba-S-U +mp-1078670,EuHO3,-7.440352082,-1.7423932862,0.2348081564,0.2348081564,GGA,P2_1/m,ABC3_mP10_11_e_e_3e:Eu-H-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_6e:Eu-H-O, expected EuHO6 to be EuHO3" +mp-1204938,EuCrHO5,-8.1127561462,-2.1082287873,0.014474184,0.014474184,GGA+U,P2_1/c,ABCD5_mP64_14_2e_2e_2e_10e:Cr-Eu-H-O,64.0,ABCD5_mP64_14_2e_2e_2e_10e:Cr-Eu-H-O +mp-625477,Eu(HO)3,-6.9500183307,-1.9106974638,0.051041004,0.051041004,GGA,P2_1/m,AB3C3_mP14_11_e_3e_3e:Eu-H-O,14.0,"Invalid WP multiplicities - AB3C3_mP14_11_e_6e_6e:Eu-H-O, expected Eu(HO)6 to be Eu(HO)3" +mp-625467,Eu(HO)3,-6.9555616314,-1.9162407645,0.0454977033,0.0454977033,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Eu-H-O,14.0,AB3C3_hP14_176_c_h_h:Eu-H-O +mp-1226151,Cs2SiB4O9,-7.7745266038,-2.8711585876,0.0,-0.0091026276,GGA,C2,A4B2C9D_mC32_5_2c_ab_a4c_b:B-Cs-O-Si,16.0,A4B2C9D_mC32_5_2c_ab_a4c_b:B-Cs-O-Si +mp-1019719,CsSi2BO6,-7.8650907261,-3.0545344791,0.0,-0.0298124162,GGA,I4_1/acd,ABC6D2_tI160_142_f_f_3g_g:B-Cs-O-Si,80.0,ABC6D2_tI160_142_f_f_3g_g:B-Cs-O-Si +mp-1228367,Ba2IBrF2,-5.08223113,-3.3010140475,0.0069920283,0.0069920283,GGA,P4mm,A2BC2D_tP6_99_ab_a_c_b:Ba-Br-F-I,6.0,A2BC2D_tP6_99_ab_a_c_b:Ba-Br-F-I +mp-557225,Cu6GeWS8,-5.3460972847,-0.6418474697000001,0.0,-0.0421012574,GGA,P6_3mc,A6BC8D_hP32_186_2c_a_ab2c_b:Cu-Ge-S-W,32.0,"Invalid WP multiplicities - A6BC8D_hP32_186_9c_a_2a2b8c_b:Cu-Ge-S-W, expected Cu27GeWS28 to be Cu6GeWS8" +mp-1284292,VReO4,-9.10487733,-2.2190126467,0.0242225102,0.0242225102,GGA+U,C2/m,A4BC_mC48_12_4i2j_j_abi:O-Re-V,24.0,"Invalid WP multiplicities - A4BC_mC48_12_8i8j_j_ab2i:O-Re-V, expected V3(ReO12)2 to be VReO4" +mp-1276532,VReO4,-9.1175352917,-2.2316706083,0.0115645486,0.0115645486,GGA+U,C2/m,A4BC_mC24_12_2ij_g_i:O-Re-V,12.0,"Invalid WP multiplicities - A4BC_mC24_12_3ij_g_i:O-Re-V, expected VReO5 to be VReO4" +mp-1297017,VReO4,-9.1251722638,-2.2393075804,0.0039275765,0.0039275765,GGA+U,Cmcm,A4BC_oC48_63_4ch_g_2c:O-Re-V,24.0,"Invalid WP multiplicities - A4BC_oC48_63_8ch_g_2c:O-Re-V, expected VReO6 to be VReO4" +mp-1276812,VReO4,-9.1132148783,-2.227350195,0.0158849619,0.0158849619,GGA+U,Cmcm,A4BC_oC48_63_2f2g_g_2c:O-Re-V,24.0,"Invalid WP multiplicities - A4BC_oC48_63_5f7g_g_2c:O-Re-V, expected VReO12 to be VReO4" +mp-1216284,VReO4,-9.0519873267,-2.1661226433,0.0771125136,0.0771125136,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Re-V,24.0,A4BC_oC12_65_gj_a_c:O-Re-V +mp-1278956,VReO4,-9.0791910992,-2.1933264158,0.0499087411,0.0499087411,GGA+U,Cmmm,A4BC_oC24_65_ghn_k_bc:O-Re-V,12.0,"Invalid WP multiplicities - A4BC_oC24_65_2g2hn_k_bc:O-Re-V, expected VReO6 to be VReO4" +mp-1279065,VReO4,-9.0986322117,-2.2127675283,0.0304676286,0.0304676286,GGA+U,Immm,A4BC_oI24_71_efl_g_bc:O-Re-V,12.0,"Invalid WP multiplicities - A4BC_oI24_71_2e2fl_g_bc:O-Re-V, expected VReO6 to be VReO4" +mp-704848,V2Re2O11,-8.541057131,-2.0430276421,0.1968807277,0.1968807277,GGA+U,P1,A11B2C2_aP30_1_22a_4a_4a:O-Re-V,30.0,A11B2C2_aP30_1_22a_4a_4a:O-Re-V +mp-1178835,V2Re2O11,-8.5437026033,-2.0456731144,0.1942352553,0.1942352553,GGA+U,Cmc2_1,A11B2C2_oC60_36_7a2b_2a_2a:O-Re-V,30.0,"Invalid WP multiplicities - A11B2C2_oC60_36_13a6b_4a_3a:O-Re-V, expected V3Re4O25 to be V2Re2O11" +mp-1179005,V2Re2O11,-8.6298452193,-2.1318157304,0.1080926393,0.1080926393,GGA+U,Cmc2_1,A11B2C2_oC60_36_7a2b_2a_2a:O-Re-V,30.0,"Invalid WP multiplicities - A11B2C2_oC60_36_13a6b_4a_3a:O-Re-V, expected V3Re4O25 to be V2Re2O11" +mp-1193760,V2Re2O11,-8.5944045927,-2.0963751037,0.143533266,0.143533266,GGA+U,Cmc2_1,A11B2C2_oC60_36_7a2b_2a_2a:O-Re-V,,A11B2C2_oC60_36_7a2b_2a_2a:O-Re-V +mp-1078783,La2VReO6,-8.767089063,-2.6590310898,0.4357065069,0.4357065069,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:La-O-Re-V,10.0,A2B6CD_cF40_225_c_e_a_b:La-O-Re-V +mp-29931,VRe2O9,-8.7207010588,-2.1796044886,0.0,-0.0385822332,GGA+U,Cmc2_1,A9B2C_oC48_36_5a2b_2a_a:O-Re-V,24.0,A9B2C_oC48_36_5a2b_2a_a:O-Re-V +mp-1213939,CeCu(WO4)2,-8.6458000537,-2.3522945558,0.0912431531,0.0912431531,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Ce-Cu-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:Ce-Cu-O-W +mp-1110945,K2NdCuI6,-3.338050548,-1.3452155383,0.1203762225,0.1203762225,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Nd +mp-31212,K2MgF4,-5.0176072643,-3.3794652909,0.0,-0.0064299671,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:F-K-Mg,7.0,A4B2C_tI14_139_ce_e_a:F-K-Mg +mp-13613,K2Mg2Be3F12,-5.6618295075,-3.5788113918,0.0,-0.01334356,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-K-Mg,76.0,"Invalid WP multiplicities - A3B12C2D2_cP76_198_b_8b_2a_2a:Be-F-K-Mg, expected K2Mg2Be3F24 to be K2Mg2Be3F12" +mp-3448,KMgF3,-5.236904424,-3.5478812441,0.0,-0.03343146,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-K-Mg,5.0,A3BC_cP5_221_c_a_b:F-K-Mg +mp-1212689,GaCu(WO4)2,-7.9985456871,-1.9471229502,0.0726381598,0.0726381598,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cu-Ga-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cu-Ga-O-W +mp-568017,Ga8Cu3W2,-4.9118772146000005,-0.1089042415,0.0,-0.0506270019,GGA,I-43d,A3B8C2_cI104_220_d_ce_c:Cu-Ga-W,52.0,"Invalid WP multiplicities - A3B8C2_cI104_220_d_7c7e_c:Cu-Ga-W, expected Ga56Cu3W2 to be Ga8Cu3W2" +mp-510633,Pb2CBr2O3,-5.9575138431,-1.6325035398,0.0047358675,0.0047358675,GGA,P4/mbm,A2BC3D2_tP32_127_eh_g_gk_k:Br-C-O-Pb,32.0,A2BC3D2_tP32_127_eh_g_gk_k:Br-C-O-Pb +mp-1224247,HfZrN2,-10.7009063675,-1.90643649,0.0,-0.01209538,GGA,R-3m,AB2C_hR12_166_a_c_b:Hf-N-Zr,4.0,AB2C_hR12_166_a_c_b:Hf-N-Zr +mp-1224228,HfZrCN,-10.45904582,-1.4415333006,0.000199465,0.000199465,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Hf-N-Zr,4.0,ABCD_hR12_160_a_a_a_a:C-Hf-N-Zr +mp-560230,CeAg6(NO3)9,-6.306249043,-0.9221217243,0.0,-0.0224371938,GGA,R-3c,A6BC9D27_hR258_167_2e_b_ef_e4f:Ag-Ce-N-O,86.0,"Invalid WP multiplicities - A6BC9D27_hR258_167_9e_b_5e5f_4e36f:Ag-Ce-N-O, expected CeAg27(N15O76)3 to be CeAg6(NO3)9" +mp-555582,C12SeF10,-6.6893646311,-0.8913347588,0.295010042,0.295010042,GGA,P2_1,A12B10C_mP46_4_12a_10a_a:C-F-Se,46.0,"Invalid WP multiplicities - A12B10C_mP46_4_23a_19a_a:C-F-Se, expected C23SeF19 to be C12SeF10" +mp-647549,CSe(ClF)3,-4.3010606105,-1.3004826289,0.114009397,0.114009397,GGA,Pbca,AB3C3D_oP128_61_2c_6c_6c_2c:C-Cl-F-Se,128.0,"Invalid WP multiplicities - AB3C3D_oP128_61_7c_41c_41c_8c:C-Cl-F-Se, expected C7Se8(ClF)41 to be CSe(ClF)3" +mp-559186,BaBiBO4,-7.2225610736,-2.6189024042,0.0,-0.0051872743,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:B-Ba-Bi-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_6c5d:B-Ba-Bi-O, expected BaBiBO16 to be BaBiBO4" +mp-1200141,Ba3Bi(BO2)9,-8.0537778466,-2.9327347276,0.0099921372,0.0099921372,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Bi-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Bi-O +mp-560550,BaBi2(B2O5)2,-7.6834902343,-2.6373486227000003,0.0,-0.0057733997,GGA,P2_1/c,A4BC2D10_mP68_14_4e_e_2e_10e:B-Ba-Bi-O,68.0,"Invalid WP multiplicities - A4BC2D10_mP68_14_11e_e_7e_37e:B-Ba-Bi-O, expected BaBi7B11O37 to be BaBi2(B2O5)2" +mp-989521,Cs2SCl6F,-2.846997363,-0.9540020091,0.4595590502,0.4595590502,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-F-S,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-F-S +mp-997588,La8Al7BO24,-8.3562555475,-3.5785803352,0.11924543,0.11924543,GGA,Pm-3m,A7BC8D24_cP40_221_acd_b_g_efh:Al-B-La-O,40.0,"Invalid WP multiplicities - A7BC8D24_cP40_221_a2c2d_b_g_5e5f6h:Al-B-La-O, expected La8Al13BO132 to be La8Al7BO24" +mp-1202143,CeMg(NO4)6,-6.1898041272,-0.6812770077,0.3507161123,0.3507161123,GGA,Pa-3,ABC6D24_cP128_205_a_b_d_4d:Ce-Mg-N-O,128.0,ABC6D24_cP128_205_a_b_d_4d:Ce-Mg-N-O +mp-1202058,CeMg(N3O13)2,-6.1095413982,-0.6340635968,0.3372240454,0.3372240454,GGA,P2_1/c,ABC6D26_mP68_14_a_d_3e_13e:Ce-Mg-N-O,68.0,ABC6D26_mP68_14_a_b_3e_13e:Ce-Mg-N-O +mp-1194826,K2CdSnS4,-4.0630850487,-1.1007026767,0.0,-0.0007197569,GGA,C2/c,AB2C4D_mC64_15_f_2f_2e3f_f:Cd-K-S-Sn,32.0,AB2C4D_mC64_15_f_2f_2e3f_f:Cd-K-S-Sn +mp-1197724,Ce(Al10V)2,-4.5297341209,-0.2248463863,0.0,-0.0523167764,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Ce-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-Ce-V +mp-1192994,Ce3AlVS7,-6.8799584467,-1.9146335772,0.0251112889,0.0251112889,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-V,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-Ce-S-V +mp-1183934,CsBaO3,-4.842209254,-1.3113205648,0.48376279,0.48376279,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ba-Cs-O,5.0,ABC3_cP5_221_b_a_c:Ba-Cs-O +mp-754272,Cs2Ba2O3,-5.0231911371,-2.099073886,0.0243943629,0.0243943629,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Ba-Cs-O,14.0,A2B2C3_mP14_14_e_e_ae:Ba-Cs-O +mp-752539,Cs2Ba2O3,-4.9659423614,-2.0418251103,0.0816431386,0.0816431386,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Ba-Cs-O,14.0,A2B2C3_mP14_14_e_e_ae:Ba-Cs-O +mp-755217,Cs2BaO2,-4.511129307,-1.7904978857,0.052646121,0.052646121,GGA,Pbcn,AB2C2_oP20_60_c_d_d:Ba-Cs-O,20.0,AB2C2_oP20_60_c_d_d:Ba-Cs-O +mp-556936,CsBa(BO2)3,-7.6913511221,-2.9156524956,0.0032533906,0.0032533906,GGA,P321,A3BCD6_hP66_150_3g_2e_2f_6g:B-Ba-Cs-O,66.0,"Invalid WP multiplicities - A3BCD6_hP66_150_15g_5e_3f_28g:B-Ba-Cs-O, expected Cs3Ba5(B15O28)2 to be CsBa(BO2)3" +mp-1219245,Sm2Ta3(SO4)2,-9.3882082433,-3.1977472711,0.0407119887,0.0407119887,GGA,P2_12_12,A8B2C2D3_oP30_18_4c_c_c_ac:O-S-Sm-Ta,30.0,A8B2C2D3_oP30_18_4c_c_c_ac:O-S-Sm-Ta +mp-5282,AgCO2,-6.5975183881,-1.1088686585,0.2188892902,0.2188892902,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ag-C-O,16.0,ABC2_mP16_14_e_e_2e:Ag-C-O +mp-1182953,AgCO2,-6.5725651562,-1.0839154267,0.2438425221,0.2438425221,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Ag-C-O,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_6e:Ag-C-O, expected AgCO6 to be AgCO2" +mp-753176,AgCO3,-6.617188799,-1.2369312731,0.003580097,0.003580097,GGA,R-3c,ABC3_hR30_167_b_a_e:Ag-C-O,10.0,ABC3_hR30_167_b_a_e:Ag-C-O +mp-600237,Ag(CO)2,-6.8644430238,-0.6277901416,0.4344162174,0.4344162174,GGA,C2,AB2C2_mC80_5_4c_8c_8c:Ag-C-O,40.0,"Invalid WP multiplicities - AB2C2_mC80_15_2f_13f_15f:Ag-C-O, expected Ag2C13O15 to be Ag(CO)2" +mp-654937,Ag(CO)2,-6.8835425177000005,-0.6468896356,0.4153167234,0.4153167234,GGA,C2/c,AB2C2_mC80_15_2f_4f_4f:Ag-C-O,40.0,"Invalid WP multiplicities - AB2C2_mC80_15_2f_13f_15f:Ag-C-O, expected Ag2C13O15 to be Ag(CO)2" +mp-2239850,MgAg2(CO3)2,-6.5808939782,-1.5442707683,0.1657628195,0.1657628195,GGA,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Ag-C-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_hR33_146_2a_2a_a_4b:Ag-C-Mg-O, expected MgAg2(CO6)2 to be MgAg2(CO3)2" +mp-4691,Ag2CO3,-6.0496226208,-1.0939820153,0.0,-0.0473205133,GGA,P2_1/m,A2BC3_mP12_11_f_e_ef:Ag-C-O,12.0,"Invalid WP multiplicities - A2BC3_mP12_11_f_e_e2f:Ag-C-O, expected Ag2CO5 to be Ag2CO3" +mp-676581,Ag2CO3,-6.0199542975,-1.064313692,0.0296683233,-0.01765219,GGA,Pmc2_1,A2BC3_oP36_26_3a3b_2ab_6a3b:Ag-C-O,36.0,A2BC3_oP36_26_6a6b_2a4b_6a12b:Ag-C-O +mp-1178578,Ag2CO3,-6.0221688067,-1.0665282012,0.0274538142,-0.0198666992,GGA,Ima2,A2BC3_oI72_46_a3bc_bc_3b3c:Ag-C-O,36.0,"Invalid WP multiplicities - A2BC3_oI72_46_a5b2c_bc_6b6c:Ag-C-O, expected Ag10(CO6)3 to be Ag2CO3" +mp-560717,Ag2CO3,-6.0228693894,-1.067228784,0.0267532314,-0.0205672819,GGA,P31c,A2BC3_hP36_159_2c_a2b_3c:Ag-C-O,36.0,"Invalid WP multiplicities - A2BC3_hP36_159_5c_2a2b_12c:Ag-C-O, expected Ag15(CO9)4 to be Ag2CO3" +mp-1229177,Ag2CO3,-6.0200445244,-1.064403919,0.0295780964,-0.0177424169,GGA,P-6,A2BC3_hP18_174_jk_acf_2jk:Ag-C-O,18.0,A2BC3_hP18_174_jk_acf_2jk:Ag-C-O +mp-1202326,NiP2(PbO4)2,-7.1567031415,-2.2639688705,0.0,-0.0024324287,GGA+U,P2_1/c,AB8C2D2_mP52_14_e_8e_2e_2e:Ni-O-P-Pb,52.0,AB8C2D2_mP52_14_e_8e_2e_2e:Ni-O-P-Pb +mp-651726,Ni3P4PbO14,-7.3812021082,-2.2921153312,0.0,-0.0169262817,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Ni-O-P-Pb,44.0,"Invalid WP multiplicities - A3B14C4D_mP44_14_ae_25e_5e_b:Ni-O-P-Pb, expected Ni3P10PbO50 to be Ni3P4PbO14" +mp-1217932,TaNbN2,-10.7090113925,-1.0509932625,0.2493983342,0.2493983342,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Nb-Ta,4.0,A2BC_hR12_166_c_a_b:N-Nb-Ta +mp-1217933,TaNbCN,-10.7227032075,-0.8416424356000001,0.0842556276,0.0842556276,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Nb-Ta,4.0,ABCD_hR12_160_a_a_a_a:C-N-Nb-Ta +mp-1194608,Re4Xe3(O5F7)2,-5.9508658977,-1.8826651265,0.0531434929,0.0531434929,GGA,P-1,A14B10C4D3_aP31_2_7i_5i_2i_ai:F-O-Re-Xe,31.0,A14B10C4D3_aP31_2_7i_5i_2i_ai:F-O-Re-Xe +mp-1147572,La2Pd(OF)2,-7.1244827614,-3.0147354218,0.6348328671,0.6348328671,GGA,I4/mmm,A2B2C2D_tI14_139_d_e_c_a:F-La-O-Pd,7.0,A2B2C2D_tI14_139_d_e_c_a:F-La-O-Pd +mp-1111200,K2TlAsI6,-2.804053546,-0.9957777914,0.0734693275,0.0734693275,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:As-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:As-I-K-Tl +mp-1112280,K2NbAgF6,-5.261891503,-2.5995382288,0.3369897039,0.3369897039,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Nb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Nb +mp-16591,Tm4Si2S3O7,-7.9927874922,-3.2559032214,0.0414998707,0.0414998707,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Tm,64.0,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Tm +mp-1112234,K2GaHgF6,-4.310697399,-2.6085525904,0.1168663618,0.1168663618,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-K,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ga-Hg-K +mp-1111415,K2TaTlF6,-5.467348999,-2.6763397514,0.3701387715,0.3701387715,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Ta-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Ta-Tl +mp-1215819,YV2(FeCo)5,-7.9727228808,-0.0861091671,0.0537270121,0.0537270121,GGA,Imm2,A5B5C2D_oI26_44_a2c_ae_2b_b:Co-Fe-V-Y,13.0,A5B5C2D_oI26_44_a2c_ae_2b_b:Co-Fe-V-Y +mp-1216183,Y3VCo8,-7.2476108017,-0.1351223208,0.0436914486,0.0436914486,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Co-V-Y,12.0,A8BC3_hR36_160_2a2b_a_3a:Co-V-Y +mp-1216170,Y(VFe5)2,-8.4800053215,-0.0696595251,0.0284973369,0.0284973369,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-V-Y,13.0,A10B2C_oI26_71_efhk_g_a:Fe-V-Y +mp-1215844,YVFe11,-8.419751980000001,-0.0566280959,0.0024899908,0.0024899908,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Fe-V-Y,13.0,A11BC_oI26_44_a2b2ce_a_a:Fe-V-Y +mp-1216182,Y(VCo5)2,-7.4555772523,-0.0926956213,0.0629005009,0.0629005009,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Co-V-Y,13.0,A10B2C_oI26_71_efhk_g_a:Co-V-Y +mp-650532,Cs2K2Cd3O5,-4.0261699471,-1.4000269909,0.0,-0.0454020642,GGA,P-1,A3B2C2D5_aP24_2_3i_2i_2i_5i:Cd-Cs-K-O,24.0,"Invalid WP multiplicities - A3B2C2D5_aP24_2_6i_3i_3i_8i:Cd-Cs-K-O, expected Cs3K3Cd6O8 to be Cs2K2Cd3O5" +mp-561067,KRb2FeF6,-5.238854711,-2.9378185003,0.0,-0.0295524743,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-K-Rb +mp-1207933,Y3Sc2(GaO4)3,-8.4102459241,-3.3848007165,0.0,-0.0208792923,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ga-O-Sc-Y,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ga-O-Sc-Y +mp-5905,Y2BeO4,-8.9025518164,-3.6941075398,0.0295211984,0.0295211984,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Be-O-Y,28.0,AB4C2_oP28_62_c_4c_2c:Be-O-Y +mp-541040,Y2Be2GeO7,-8.2443362612,-3.272534862,0.0,-0.0071068883,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Y,24.0,A2BC7D2_tP24_113_e_a_cef_e:Be-Ge-O-Y +mp-561726,Ce4Si2S3O7,-8.2797036144,-3.1785059107,0.0193743747,0.0193743747,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Ce-O-S-Si,64.0,"Invalid WP multiplicities - A4B7C3D2_tI128_141_5g5h_4e7h7i_2ab3f_h:Ce-O-S-Si, expected Ce40Si4S15O92 to be Ce4Si2S3O7" +mp-1181623,CuTeNO4,-5.7722761186,-0.7200243567,0.3432046458,0.3432046458,GGA,C2/c,ABC4D_mC56_15_f_f_2e3f_f:Cu-N-O-Te,28.0,ABC4D_mC56_15_f_f_2e3f_f:Cu-N-O-Te +mp-1102736,SnBr3NO,-3.5597450025,0.0988950777,1.1886758405,1.1886758405,GGA,P2_1/m,A3BCD_mP12_11_3e_e_e_e:Br-N-O-Sn,12.0,A3BCD_mP12_11_3e_e_e_e:Br-N-O-Sn +mp-1080527,Sn(Br3N)2,-2.8542551411,0.4791594906,1.1372469936,1.1372469936,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Sn,9.0,A6B2C_cF36_225_e_c_a:Br-N-Sn +mp-1224114,K4Ba2SnP4,-3.6858259655,-0.6001598246000001,0.0,-0.0277209321,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Ba-K-P-Sn,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Ba-K-P-Sn, expected K7Ba4SnP7 to be K4Ba2SnP4" +mp-601867,Ba3(SnP2)2,-4.7014659678,-0.7648794615000001,0.0,-0.02592163,GGA,P2_1/c,A3B4C2_mP36_14_3e_4e_2e:Ba-P-Sn,36.0,"Invalid WP multiplicities - A3B4C2_mP36_14_10e_14e_5e:Ba-P-Sn, expected Ba10Sn5P14 to be Ba3(SnP2)2" +mp-2911,Ba3(SnP2)2,-4.7008803997,-0.7642938934,0.0005855681,-0.0253360619,GGA,P2_1/c,A3B4C2_mP36_14_3e_4e_2e:Ba-P-Sn,36.0,A3B4C2_mP36_14_3e_4e_2e:Ba-P-Sn +mp-540923,Ba3SnP3,-4.5897068732,-0.8745062739,0.0073891914,0.0073891914,GGA,P2_1/c,A3B3C_mP28_14_3e_3e_e:Ba-P-Sn,28.0,A3B3C_mP28_14_3e_3e_e:Ba-P-Sn +mp-1197404,Y2Sn3(PbS4)3,-5.4237580122,-1.136908142,0.0119955965,0.0119955965,GGA,Pmc2_1,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Y,40.0,A3B12C3D2_oP40_26_3a_5a7b_3b_2a:Pb-S-Sn-Y +mp-6249,Sr3Nd2(BO3)4,-8.1428566568,-3.3484468071,0.0025992473,0.0025992473,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Nd-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Nd-O-Sr +mp-641097,UTl2(MoO5)2,-8.0841334392,-2.2724745302,0.0,-0.0059791827,GGA+U,Pca2_1,A2B10C2D_oP120_29_4a_20a_4a_2a:Mo-O-Tl-U,120.0,"Invalid WP multiplicities - A2B10C2D_oP120_29_15a_77a_12a_6a:Mo-O-Tl-U, expected U6Tl12Mo15O77 to be UTl2(MoO5)2" +mp-641191,U2Tl2Mo3O16,-8.4892959724,-2.4461622322,0.0011806664,0.0011806664,GGA+U,Pna2_1,A3B16C2D2_oP92_33_3a_16a_2a_2a:Mo-O-Tl-U,92.0,"Invalid WP multiplicities - A3B16C2D2_oP92_33_11a_60a_6a_6a:Mo-O-Tl-U, expected U6Tl6Mo11O60 to be U2Tl2Mo3O16" +mp-730487,CeMo12(NO27)2,-6.9609109572,-0.8757650046000001,0.7069526535,0.7069526535,GGA+U,R-3,AB12C2D54_hR207_148_a_2f_c_9f:Ce-Mo-N-O,69.0,AB12C2D54_hR207_148_a_2f_c_9f:Ce-Mo-N-O +mp-1182627,CeMo12(NO27)2,-6.977260359,-0.8921144063,0.6906032517,0.6906032517,GGA+U,R-3,AB12C2D54_hR207_148_a_2f_c_9f:Ce-Mo-N-O,69.0,AB12C2D54_hR207_148_a_2f_c_9f:Ce-Mo-N-O +mp-9510,Tl2PAuS4,-4.3517793594,-0.6069955759,0.0,-0.0274861709,GGA,P2_1/m,ABC4D2_mP16_11_a_e_2ef_2e:Au-P-S-Tl,16.0,ABC4D2_mP16_11_a_e_2ef_2e:Au-P-S-Tl +mp-29898,Tl2Au4S3,-3.770005215,-0.4110981157,0.0,-0.0808644114,GGA,Pmmn,A4B3C2_oP18_59_ce_ae_f:Au-S-Tl,18.0,"Invalid WP multiplicities - A4B3C2_oP18_59_2c2e_2a2e_f:Au-S-Tl, expected TlAu4S3 to be Tl2Au4S3" +mp-1211937,K3Nb6SBr17,-5.0452592852,-1.5461126719,0.0051211902,0.0051211902,GGA,C2/c,A17B3C6D_mC108_15_e8f_ef_3f_e:Br-K-Nb-S,54.0,A17B3C6D_mC108_15_e8f_ef_3f_e:Br-K-Nb-S +mp-560348,K6Nb4S25,-5.4092185915,-1.1098225768,0.0,-0.0115051171,GGA,P2_1/c,A6B4C25_mP140_14_6e_4e_25e:K-Nb-S,140.0,"Invalid WP multiplicities - A6B4C25_mP140_14_20e_14e_93e:K-Nb-S, expected K20Nb14S93 to be K6Nb4S25" +mp-574909,K2NbS7,-5.2433880314,-1.1156628312,0.0025413398,0.0025413398,GGA,P2_1/c,A2BC7_mP80_14_4e_2e_14e:K-Nb-S,80.0,"Invalid WP multiplicities - A2BC7_mP80_14_12e_5e_52e:K-Nb-S, expected K12Nb5S52 to be K2NbS7" +mp-1223960,K(Nb3S4)2,-7.7204833967,-1.3998281885,0.0,-0.0376687744,GGA,P-3,AB6C8_hP15_147_a_g_dg:K-Nb-S,15.0,AB6C8_hP15_147_a_g_dg:K-Nb-S +mp-714973,K2(NbBr3)3,-4.8798533689,-1.5582842272,0.007254835,-0.0188642079,GGA,P1,A9B2C3_aP28_1_18a_4a_6a:Br-K-Nb,28.0,A9B2C3_aP28_1_18a_4a_6a:Br-K-Nb +mp-31012,K2(NbBr3)3,-4.8871082039,-1.5655390622,0.0,-0.0261190429,GGA,C2/m,A9B2C3_mC56_12_g2i3j_j_ij:Br-K-Nb,28.0,"Invalid WP multiplicities - A9B2C3_mC56_12_g2i4j_j_ij:Br-K-Nb, expected K2Nb3Br11 to be K2(NbBr3)3" +mp-7938,KNbS2,-6.2856255638,-1.4144746336,0.0085806344,0.0085806344,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:K-Nb-S,8.0,ABC2_hP8_194_a_b_f:K-Nb-S +mp-680410,K3Nb2S11,-5.4883653903,-1.1736931743,0.0,-0.0107367964,GGA,C2/c,A3B2C11_mC128_15_3f_2f_11f:K-Nb-S,64.0,"Invalid WP multiplicities - A3B2C11_mC128_15_8f_6f_42f:K-Nb-S, expected K4(NbS7)3 to be K3Nb2S11" +mp-18383,K3NbS4,-5.2265848931,-1.4792972246,0.0,-0.144698009,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:K-Nb-S,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_2c2d_c_2cd:K-Nb-S, expected K6NbS4 to be K3NbS4" +mp-1224044,K2(NbS2)3,-6.7156460359,-1.5026085618,0.0,-0.0620310808,GGA,Amm2,A2B3C6_oC44_38_de_cf_2c2f:K-Nb-S,22.0,"Invalid WP multiplicities - A2B3C6_oC44_38_de_2c3f_4c4f:K-Nb-S, expected K(Nb2S3)2 to be K2(NbS2)3" +mp-15148,K4Nb2S11,-5.3486081488,-1.2224225957,0.0068571189,0.0068571189,GGA,Pca2_1,A4B2C11_oP68_29_4a_2a_11a:K-Nb-S,68.0,"Invalid WP multiplicities - A4B2C11_oP68_29_4a_2a_13a:K-Nb-S, expected K4Nb2S13 to be K4Nb2S11" +mp-1213379,CsEr(WO4)2,-8.5606131279,-2.6478721836,0.0009321521,-0.0102441027,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Er-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Er-O-W +mp-1213193,CsEr(WO4)2,-8.56154528,-2.6488043357,0.0,-0.0111762548,GGA+U,P-3m1,ABC8D2_hP12_164_a_b_di_d:Cs-Er-O-W,12.0,ABC8D2_hP12_164_a_b_di_d:Cs-Er-O-W +mp-28140,P2Pb3S8,-4.9738060433,-0.7387179542000001,0.0,-0.0361626479,GGA,P2_13,A2B3C8_cP52_198_2a_b_2a2b:P-Pb-S,52.0,A2B3C8_cP52_198_2a_b_2a2b:P-Pb-S +mp-20199,PPbS3,-5.0336123155,-0.7265524800000001,0.0,-0.0318063708,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:P-Pb-S,20.0,"Invalid WP multiplicities - ABC3_mP20_14_e_e_10e:P-Pb-S, expected PPbS10 to be PPbS3" +mp-638009,RbPPbS4,-4.7785869239,-0.9711179073,0.0,-0.0391646508,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:P-Pb-Rb-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_19_a_a_a_11a:P-Pb-Rb-S, expected RbPPbS11 to be RbPPbS4" +mp-1193252,RbPPbS4,-4.7739424575000005,-0.9664734408,0.0046444664,-0.0345201844,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:P-Pb-Rb-S,28.0,ABCD4_oP28_62_c_c_c_2cd:P-Pb-Rb-S +mp-1209136,RbSm(WO4)2,-8.5909068675,-2.6584993377,0.0,-0.0247329271,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Sm-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Rb-Sm-W +mp-1192550,RbBaPS4,-5.0310971393,-1.4798669983,0.0,-0.0344146699,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-P-Rb-S,28.0,ABCD4_oP28_62_c_c_c_2cd:Ba-P-Rb-S +mp-2227750,MgWBr4O,-5.1832803757,-1.5093929027,0.1034928411,0.1034928411,GGA+U,Cm,A4BCD_mC14_8_4a_a_a_a:Br-Mg-O-W,7.0,A4BCD_mC14_8_4a_a_a_a:Br-Mg-O-W +mp-2226932,MgWBr4O,-5.1296249529,-1.4557374798,0.157148264,0.157148264,GGA+U,Cm,A4BCD_mC14_8_4a_a_a_a:Br-Mg-O-W,7.0,A4BCD_mC14_8_4a_a_a_a:Br-Mg-O-W +mp-2226153,MgWBr4O,-5.0531223429,-1.3792348698,0.233650874,0.233650874,GGA+U,I-4,A4BCD_tI14_82_g_c_a_b:Br-Mg-O-W,7.0,A4BCD_tI14_82_g_c_a_b:Br-Mg-O-W +mp-2239997,MgW2(BrO)4,-6.5866405382,-1.7216033859,0.1228567447,0.1228567447,GGA+U,P1,A4BC4D2_aP11_1_4a_a_4a_2a:Br-Mg-O-W,11.0,A4BC4D2_aP11_1_4a_a_4a_2a:Br-Mg-O-W +mp-2227274,MgW2(BrO)4,-6.5867241082,-1.7216869559,0.1227731747,0.1227731747,GGA+U,Pm,A4BC4D2_mP11_6_4a_b_2a2b_2a:Br-Mg-O-W,11.0,A4BC4D2_mP11_6_4a_b_2a2b_2a:Br-Mg-O-W +mp-2222891,MgW2(BrO)4,-6.4704892182,-1.6054520659,0.2390080647,0.2390080647,GGA+U,Pmm2,A4BC4D2_oP11_25_2e_d_2a2b_2a:Br-Mg-O-W,11.0,A4BC4D2_oP11_25_2e_d_2a2b_2a:Br-Mg-O-W +mp-1016334,SrMg6B,-1.9625199687,0.2838007218,0.3923269806,0.3923269806,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Sr +mp-1016337,SrMg6B,-1.9685600088,0.2777606818,0.3862869406,0.3862869406,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Sr,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Sr +mp-13541,Sr2Mg(BO3)2,-7.5541357118,-3.1888463695,0.0,-0.0080399707,GGA,C2/m,A2BC6D2_mC22_12_i_a_ij_i:B-Mg-O-Sr,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_12_i_a_2ij_i:B-Mg-O-Sr, expected Sr2Mg(BO4)2 to be Sr2Mg(BO3)2" +mp-1245534,TaV3N4,-10.1893779563,-1.1324435137,0.2122178283,0.2122178283,GGA,Pm-3m,A4BC3_cP8_221_ac_b_d:N-Ta-V,8.0,A4BC3_cP8_221_ac_b_d:N-Ta-V +mp-1245876,VCN2,-9.0281980975,-0.2818077444,0.3892027819,0.3892027819,GGA,R-3m,AB2C_hR12_166_a_c_b:C-N-V,4.0,AB2C_hR12_166_a_c_b:C-N-V +mp-1245868,VCN2,-9.063089895,-0.3166995419,0.3543109844,0.3543109844,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:C-N-V,8.0,AB2C_hP8_194_c_f_a:C-N-V +mp-1246013,V2(CN2)3,-8.9443356064,-0.2286285002,0.2593791552,0.2593791552,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-V,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-V +mp-1246795,V2(CN2)3,-9.0741786018,-0.3584714957,0.1295361598,0.1295361598,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:C-N-V,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2e2f_12f_f:C-N-V, expected V(CN4)3 to be V2(CN2)3" +mp-1216537,V2CN,-9.7185665675,-0.7853234281,0.1345783112,0.1345783112,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:C-N-V,4.0,ABC2_tP4_123_a_d_bc:C-N-V +mp-676416,V2CN,-9.7284782412,-0.7952351019,0.1246666375,0.1246666375,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:C-N-V,8.0,ABC2_tI16_141_a_b_e:C-N-V +mp-1216616,V2CN,-9.729683485,-0.7964403456,0.1234613937,0.1234613937,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-V,4.0,ABC2_hR12_166_a_b_c:C-N-V +mp-1246935,V(C2N3)3,-8.6403806503,0.0773914341,0.2451440656,0.2451440656,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-V,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-V +mp-1247317,V(C4N3)2,-8.719950138,0.1421964993,0.3211326397,0.3211326397,GGA,C2/m,A8B6C_mC30_12_2ij_ij_a:C-N-V,15.0,"Invalid WP multiplicities - A8B6C_mC30_12_4i3j_2i2j_a:C-N-V, expected V(C5N3)4 to be V(C4N3)2" +mp-1247329,V(C4N3)2,-8.7217304907,0.1404161467,0.319352287,0.319352287,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-V,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-V +mp-1217824,TaVCN,-10.4541887575,-0.8274777281,0.1311975725,0.1311975725,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Ta-V,4.0,ABCD_hR12_160_a_a_a_a:C-N-Ta-V +mp-1217820,TaVN2,-10.52311164,-1.1194432525,0.2278583792,0.2278583792,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Ta-V,4.0,A2BC_tP4_123_ad_b_c:N-Ta-V +mp-1224365,KIn7S8,-4.2003489742,-0.8588624747,0.0,-0.0040675336,GGA,Pm,A7BC8_mP48_6_10a11b_2ab_12a12b:In-K-S,48.0,A7BC8_mP48_6_10a11b_2ab_12a12b:In-K-S +mp-862780,K2InP2S7,-4.702642305,-0.9731226629,0.0,-0.0229450152,GGA,C2/m,AB2C2D7_mC48_12_g_j_2i_3i2j:In-K-P-S,24.0,AB2C2D7_mC48_12_g_j_2i_3i2j:In-K-P-S +mp-1223488,KIn5S8,-4.3619177771,-0.9361737391,0.0002609108,0.0002609108,GGA,Cm,A5BC8_mC28_8_5a_a_8a:In-K-S,14.0,A5BC8_mC28_8_5a_a_8a:In-K-S +mp-22199,KIn5S8,-4.3615434093,-0.9357993713,0.0006352787,0.0006352787,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:In-K-S,14.0,"Invalid WP multiplicities - A5BC8_mC28_12_a3i_c_5i:In-K-S, expected KIn7S10 to be KIn5S8" +mp-22583,KInP2S7,-4.7909413836,-0.8233198601,0.0,-0.0064522673,GGA,C2,ABC2D7_mC22_5_a_b_c_a3c:In-K-P-S,11.0,"Invalid WP multiplicities - ABC2D7_mC22_5_a_b_c_a4c:In-K-P-S, expected KInP2S9 to be KInP2S7" +mp-505412,KInS2,-4.2242391434,-1.1904935407,0.0,-0.1683655144,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:In-K-S,32.0,ABC2_mC64_15_2f_2f_2e3f:In-K-S +mp-1203118,RbY(CO3)4,-7.0287164992,-1.2663869608,0.6655047286,0.6655047286,GGA,I4_1/a,A4B12CD_tI72_88_f_3f_a_b:C-O-Rb-Y,36.0,A4B12CD_tI72_88_f_3f_a_b:C-O-Rb-Y +mp-1196587,UVCuO10,-6.9977037944,-1.3099030358,0.5875419353,0.5875419353,GGA+U,P2_1/c,AB10CD_mP52_14_e_10e_e_e:Cu-O-U-V,52.0,AB10CD_mP52_14_e_10e_e_e:Cu-O-U-V +mp-1196876,CaU2V2O17,-7.7547386964,-1.9888323268,0.4298600953,0.4298600953,GGA+U,Pbcn,AB17C2D2_oP88_60_c_c8d_d_d:Ca-O-U-V,88.0,AB17C2D2_oP88_60_c_c8d_d_d:Ca-O-U-V +mp-1202464,Eu5V3S6O7,-8.9339926186,-2.3634094095,0.0673273243,0.0673273243,GGA+U,Pmmn,A5B7C6D3_oP42_59_a2e_b3e_2a2e_be:Eu-O-S-V,42.0,A5B7C6D3_oP42_59_a2e_b3e_2a2e_be:Eu-O-S-V +mp-554685,Li2U3V2O15,-8.9879012245,-3.0760731076,0.0,-0.0016558266,GGA+U,I4_1/amd,A2B15C3D2_tI88_141_e_ae3h_be_e:Li-O-U-V,44.0,"Invalid WP multiplicities - A2B15C3D2_tI88_141_e_2a4e17h_be_e:Li-O-U-V, expected Li2U3V2O78 to be Li2U3V2O15" +mp-1110936,K2LiYI6,-3.557570791,-1.6139317936,0.061759065,0.061759065,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Y +mp-1218843,Sr3V5S11,-6.6126808984,-1.5606304118,0.0543475118,0.0543475118,GGA,C2/c,A11B3C5_mC152_15_2e10f_3f_ce4f:S-Sr-V,76.0,A11B3C5_mC152_15_2e10f_3f_ae4f:S-Sr-V +mp-558774,Sr6V9(S11O)2,-6.3881647390000005,-1.4448983327,0.2317979206,0.2317979206,GGA+U,R-3,A2B22C6D9_hR117_148_c_2c3f_f_acf:O-S-Sr-V,39.0,"Invalid WP multiplicities - A2B22C6D9_hR117_148_c_4c15f_f_a2c3f:O-S-Sr-V, expected Sr6V23(S49O)2 to be Sr6V9(S11O)2" +mp-670116,VINCl3,-3.8207133367,0.2525162175,1.450118622,1.450118622,GGA,P-1,A3BCD_aP12_2_3i_i_i_i:Cl-I-N-V,12.0,"Invalid WP multiplicities - A3BCD_aP12_2_6i_i_i_i:Cl-I-N-V, expected VINCl6 to be VINCl3" +mp-570829,VINCl3,-5.0787752733,-1.0055457192,0.1920566853,0.1920566853,GGA,P-1,A3BCD_aP12_2_3i_i_i_i:Cl-I-N-V,12.0,"Invalid WP multiplicities - A3BCD_aP12_2_6i_i_i_i:Cl-I-N-V, expected VINCl6 to be VINCl3" +mp-1110942,K2YCuI6,-3.50724675,-1.3445793723,0.1152612255,0.1152612255,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Y +mp-1147659,K2Cu(IF)2,-3.55516051,-1.685204053,0.1312695105,0.1312695105,GGA,P4/mmm,AB2C2D2_tP7_123_b_ac_e_f:Cu-F-I-K,7.0,AB2C2D2_tP7_123_b_ac_e_f:Cu-F-I-K +mp-28634,KI3F16,-3.9177235225,-2.1120154486,0.0,-0.0366711904,GGA,P2_1/c,A16B3C_mP160_14_32e_6e_2e:F-I-K,160.0,A16B3C_mP160_14_32e_6e_2e:F-I-K +mp-1112242,K2YCuF6,-5.56089685,-3.1353619018,0.1588829444,0.1588829444,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Y +mp-774754,KRe4O8F13,-6.9132931192,-2.4782452748,0.0039757966,0.0039757966,GGA,C2,A13BC8D4_mC52_5_a6c_b_4c_2c:F-K-O-Re,26.0,"Invalid WP multiplicities - A13BC8D4_mC52_5_a11c_b_7c_3c:F-K-O-Re, expected KRe6O14F23 to be KRe4O8F13" +mp-555490,KRe2O4F7,-6.7779385636,-2.5517556397,0.0,-0.0408192757,GGA,P2/c,A7BC4D2_mP28_13_e3g_f_2g_g:F-K-O-Re,28.0,"Invalid WP multiplicities - A7BC4D2_mP28_13_2e12g_f_8g_g:F-K-O-Re, expected KRe2(O8F13)2 to be KRe2O4F7" +mp-696221,KAl(H2N)4,-4.7934724368,-0.1260608056,0.4663734382,0.4663734382,GGA,C222_1,AB8CD4_oC56_20_a_4c_b_2c:Al-H-K-N,28.0,AB8CD4_oC56_20_a_4c_b_2c:Al-H-K-N +mp-1103524,KAlN4,-4.6742512275,1.6927411853,2.4994335567,2.4994335567,GGA,C222_1,ABC4_oC24_20_a_b_2c:Al-K-N,12.0,ABC4_oC24_20_a_b_2c:Al-K-N +mp-1190835,KAlN4,-5.8890551821,0.4779372308,1.2846296021,1.2846296021,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Al-K-N,24.0,ABC4_oP24_62_c_c_2cd:Al-K-N +mp-553927,Pu(IO3)4,-5.9567430732,-1.2790037635,0.0008560524,0.0008560524,GGA,P4_2/n,A4B12C_tP34_86_g_3g_a:I-O-Pu,34.0,"Invalid WP multiplicities - A4B12C_tP34_86_g_15g_a:I-O-Pu, expected Pu(IO15)4 to be Pu(IO3)4" +mp-27978,PuI3,-6.1036562237,-1.4316718787,0.0,-0.4509173812,GGA,Cmcm,A3B_oC16_63_cf_c:I-Pu,8.0,"Invalid WP multiplicities - A3B_oC16_63_c2f_c:I-Pu, expected PuI5 to be PuI3" +mp-867500,PuI2,-7.0458630067,-1.3076726633,0.0,-0.0350754378,GGA,P4_2/mnm,A2B_tP6_136_f_a:I-Pu,6.0,A2B_tP6_136_f_a:I-Pu +mp-1209624,Pu2I2O,-8.20768757,-0.9218679558,1.027353662,1.027353662,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-Pu,5.0,A2BC2_tP5_123_g_a_g:I-O-Pu +mp-1186815,Pu3I,-11.021357145,0.04786319,0.5382404388,0.5382404388,GGA,I4/mmm,AB3_tI8_139_a_bd:I-Pu,4.0,AB3_tI8_139_a_bd:I-Pu +mp-1186821,Pu3I,-11.1161756187,-0.0469552838,0.443421965,0.443421965,GGA,P6_3/mmc,AB3_hP8_194_c_h:I-Pu,8.0,AB3_hP8_194_c_h:I-Pu +mp-647604,PuIO,-8.9339209667,-2.0379565029,0.5393721428,0.5393721428,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-O-Pu,6.0,ABC_tP6_129_c_a_c:I-O-Pu +mp-1196747,PuB7IO14,-8.2475502786,-2.5192637989,0.1569123317,0.1569123317,GGA,P2_1/c,A7BC14D_mP92_14_7e_e_14e_e:B-I-O-Pu,92.0,A7BC14D_mP92_14_7e_e_14e_e:B-I-O-Pu +mp-1205014,Pu2IO10,-8.1542242608,-2.0406911744,0.0,-0.1479893173,GGA,P2_1/c,AB10C2_mP52_14_e_10e_2e:I-O-Pu,52.0,AB10C2_mP52_14_e_10e_2e:I-O-Pu +mp-1184382,Eu2BIN2,-9.0407414612,-1.4841161994,0.0015697863,-0.1366425183,GGA,P-1,AB2CD2_aP24_2_2i_4i_2i_4i:B-Eu-I-N,24.0,AB2CD2_aP24_2_2i_4i_2i_4i:B-Eu-I-N +mp-1192731,Eu2BIN2,-9.0423112475,-1.4856859857,0.0,-0.1382123046,GGA,P2_1/m,AB2CD2_mP24_11_2e_4e_2e_4e:B-Eu-I-N,24.0,AB2CD2_mP24_11_2e_4e_2e_4e:B-Eu-I-N +mp-1199548,NdB7IO15,-7.3472012721,-2.0473018201,0.5619271917,0.5619271917,GGA,P2_1/c,A7BCD15_mP96_14_7e_e_e_15e:B-I-Nd-O,96.0,A7BCD15_mP96_14_7e_e_e_15e:B-I-Nd-O +mp-1198400,NdB5IO11,-7.8087518507,-2.5836380473,0.0859621545,0.0859621545,GGA,P2_1/c,A5BCD11_mP72_14_5e_e_e_11e:B-I-Nd-O,72.0,A5BCD11_mP72_14_5e_e_e_11e:B-I-Nd-O +mp-571057,KY(PSe3)2,-5.0123750532,-1.0744806593,0.0,-0.0406058984,GGA,P2_12_12_1,AB2C6D_oP40_19_a_2a_6a_a:K-P-Se-Y,40.0,"Invalid WP multiplicities - AB2C6D_oP40_19_a_5a_21a_a:K-P-Se-Y, expected KYP5Se21 to be KY(PSe3)2" +mp-1200378,CeB7IO15,-7.7276736533,-2.3792349629,0.2689994616,0.2689994616,GGA,P2_1/c,A7BCD15_mP96_14_7e_e_e_15e:B-Ce-I-O,96.0,A7BCD15_mP96_14_7e_e_e_15e:B-Ce-I-O +mp-1196765,U2PbI2O13,-7.1995639178,-2.0023887491,0.1362626436,0.1362626436,GGA,P2_1/c,A2B13CD2_mP72_14_2e_13e_e_2e:I-O-Pb-U,72.0,A2B13CD2_mP72_14_2e_13e_e_2e:I-O-Pb-U +mp-1208402,UPbI6,-4.0370302975,-1.0564984,0.0456466716,0.0456466716,GGA,P-31c,A6BC_hP16_163_i_c_b:I-Pb-U,16.0,A6BC_hP16_163_i_c_b:I-Pb-U +mp-504714,Ni3B7IO13,-7.7764066646,-2.3648869966,0.0,-0.0287857222,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-I-Ni-O,48.0,A7BC3D13_cF192_219_ce_a_d_bh:B-I-Ni-O +mp-1029349,Y4Se3N2,-7.9460401267,-2.0541947115,0.0,-0.0135266256,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-Se-Y,9.0,A2B3C4_mC18_12_i_ai_2i:N-Se-Y +mp-1197693,YSe2NO11,-5.9813211017,-0.9007634472,0.5440585036,0.5440585036,GGA,P2_12_12_1,AB11C2D_oP60_19_a_11a_2a_a:N-O-Se-Y,60.0,AB11C2D_oP60_19_a_11a_2a_a:N-O-Se-Y +mp-643710,Cs3B12H12I,-4.9470665214,-0.4818884051,0.0813755818,0.0813755818,GGA,R-3m,A12B3C12D_hR84_166_2h_d_2h_a:B-Cs-H-I,28.0,A12B3C12D_hR84_166_2h_d_2h_a:B-Cs-H-I +mp-31003,B10H13I,-4.7915904641,-0.1093936873,0.0963762814,0.0893337865,GGA,P2_1/c,A10B13C_mP192_14_20e_26e_2e:B-H-I,192.0,"Invalid WP multiplicities - A10B13C_mP192_14_20e_29e_2e:B-H-I, expected B20H29I2 to be B10H13I" +mp-1199051,B10H13I,-4.8879667455,-0.2057699687,0.0,-0.0070424949,GGA,P2_1/c,A10B13C_mP96_14_10e_13e_e:B-H-I,96.0,A10B13C_mP96_14_10e_13e_e:B-H-I +mp-1199255,B10H13I,-4.8857976975,-0.2036009207,0.002169048,-0.0048734469,GGA,P2_1/c,A10B13C_mP96_14_10e_13e_e:B-H-I,96.0,A10B13C_mP96_14_10e_13e_e:B-H-I +mp-1182541,B24N4O,-6.9647337013,-0.1165243595,0.4810349772,0.4810349772,GGA,Pna2_1,A24B4C_oP116_33_24a_4a_a:B-N-O,116.0,A24B4C_oP116_33_24a_4a_a:B-N-O +mp-1199763,B24N4O,-6.9233122091,-0.0751028674,0.5224564694,0.5224564694,GGA,Pna2_1,A24B4C_oP116_33_24a_4a_a:B-N-O,116.0,A24B4C_oP116_33_24a_4a_a:B-N-O +mp-1182599,B4N2O11,-6.64080066,-0.8876163802,1.0129435048,1.0129435048,GGA,P2_1,A4B2C11_mP34_4_4a_2a_11a:B-N-O,34.0,A4B2C11_mP34_4_4a_2a_11a:B-N-O +mp-1204080,B4N2O11,-7.1054226909,-1.3522384111,0.5483214739,0.5483214739,GGA,P2_1,A4B2C11_mP34_4_4a_2a_11a:B-N-O,34.0,A4B2C11_mP34_4_4a_2a_11a:B-N-O +mp-1215095,B4N2O11,-7.0389782624,-1.2857939825,0.6147659024000001,0.6147659024000001,GGA,P2_1,A4B2C11_mP34_4_4a_2a_11a:B-N-O,34.0,A4B2C11_mP34_4_4a_2a_11a:B-N-O +mp-1204898,B5NO12,-6.9551641983,-1.3388465142,0.7303302712,0.7303302712,GGA,Pc,A5BC12_mP36_7_5a_a_12a:B-N-O,36.0,A5BC12_mP36_7_5a_a_12a:B-N-O +mp-1200969,B3Pb3NO10,-7.2605540763,-2.0264659257,0.0,-0.0126519035,GGA,Pnma,A3BC10D3_oP68_62_cd_c_4c3d_cd:B-N-O-Pb,68.0,A3BC10D3_oP68_62_cd_c_4c3d_cd:B-N-O-Pb +mp-31266,YPS4,-6.1033054738,-1.3657099592,0.0,-0.07276878,GGA,I4_1/acd,AB4C_tI96_142_e_2g_ab:P-S-Y,48.0,"Invalid WP multiplicities - AB4C_tI96_142_e_3g_ab:P-S-Y, expected YPS6 to be YPS4" +mp-1191026,YPS,-7.0641984496,-1.7254572873,0.0,-0.0441869409,GGA,Pnma,ABC_oP24_62_d_2c_2c:P-S-Y,24.0,ABC_oP24_62_d_2c_2c:P-S-Y +mp-561467,YAg3(PS4)2,-5.0385426232,-0.8326609752,0.0,-0.0010176898,GGA,C2/c,A3B2C8D_mC56_15_ef_f_4f_e:Ag-P-S-Y,28.0,"Invalid WP multiplicities - A3B2C8D_mC56_15_ef_f_12f_e:Ag-P-S-Y, expected YAg3(PS12)2 to be YAg3(PS4)2" +mp-1216056,Y2PS,-7.6281456625,-2.0074720124,0.0,-0.0719631925,GGA,R-3m,ABC2_hR12_166_a_b_c:P-S-Y,4.0,ABC2_hR12_166_a_b_c:P-S-Y +mp-1029602,Sc2(CN2)3,-9.1503815595,-0.9349357198,0.0,-0.1737557289,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Sc,22.0,A3B6C2_hR66_167_e_f_c:C-N-Sc +mp-1196731,ScC3(N3F2)3,-5.933436448,0.4095000632,1.7452634847,1.7452634847,GGA,Pa-3,A3B6C9D_cP152_205_d_2d_3d_ab:C-F-N-Sc,152.0,A3B6C9D_cP152_205_d_2d_3d_ab:C-F-N-Sc +mp-863754,KYSiS4,-5.9310885821,-1.7099475025,0.0,-0.0558897743,GGA,P2_1,AB4CD_mP14_4_a_4a_a_a:K-S-Si-Y,14.0,"Invalid WP multiplicities - AB4CD_mP14_4_a_7a_a_a:K-S-Si-Y, expected KYSiS7 to be KYSiS4" +mp-1220326,NbVCN,-9.897970495,-0.7103776131,0.2102398709,0.2102398709,GGA,P4/mmm,ABCD_tP4_123_a_d_c_b:C-N-Nb-V,4.0,ABCD_tP4_123_a_d_c_b:C-N-Nb-V +mp-1220407,NbVCN,-9.9503719,-0.7627790181,0.1578384659,0.1578384659,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Nb-V,4.0,ABCD_hR12_160_a_a_a_a:C-N-Nb-V +mp-1220446,NbVN2,-10.0327876825,-1.0682374425,0.226873575,0.226873575,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Nb-V,4.0,A2BC_hR12_166_c_a_b:N-Nb-V +mp-1194839,P3RhW2O15,-8.1741074243,-2.2826404472,0.0,-0.0128266299,GGA+U,C2/c,A15B3CD2_mC336_15_30f_2e5f_2f_4f:O-P-Rh-W,168.0,A15B3CD2_mC336_15_30f_2e5f_2f_4f:O-P-Rh-W +mp-1209123,Rh2WO6,-7.8962362128,-1.5221386308,0.0619027543,0.0619027543,GGA+U,P4_2/mnm,A6B2C_tP18_136_fj_e_a:O-Rh-W,18.0,A6B2C_tP18_136_fj_e_a:O-Rh-W +mp-1216387,VCu(PS3)2,-5.558292881,-0.6754511855,0.0552940908,0.0552940908,GGA,P1,AB2C6D_aP10_1_a_2a_6a_a:Cu-P-S-V,10.0,AB2C6D_aP10_1_a_2a_6a_a:Cu-P-S-V +mp-1193412,KSnPS4,-4.7869415011,-0.918502533,0.0,-0.0209619969,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:K-P-S-Sn,28.0,ABC4D_mP28_14_e_e_4e_e:K-P-S-Sn +mp-1211845,K3Sn2P5S18,-4.83629122,-0.8051144097,0.0,-0.0041505036,GGA,C2/c,A3B5C18D2_mC112_15_af_e2f_9f_f:K-P-S-Sn,56.0,A3B5C18D2_mC112_15_cf_e2f_9f_f:K-P-S-Sn +mp-1204076,U3(C3O8)2,-8.6482547194,-1.9125250248,0.5686371732000001,0.5686371732000001,GGA,I23,A6B16C3_cI200_197_2f_c5f_f:C-O-U,100.0,A6B16C3_cI200_197_2f_c5f_f:C-O-U +mp-1193074,U(C2O5)2,-8.3456934683,-1.8341628622,0.3704210826,0.3704210826,GGA,Ccce,A4B10C_oC60_68_i_e2i_a:C-O-U,30.0,A4B10C_oC60_68_i_e2i_a:C-O-U +mp-727078,UC4O7,-8.4715026092,-1.5687615293,0.5230894273,0.5230894273,GGA,Pbcn,A4B7C_oP48_60_2d_c3d_c:C-O-U,48.0,A4B7C_oP48_60_2d_c3d_c:C-O-U +mp-1198555,UC2O9,-7.7022495333,-1.5131712503,0.5763785602,0.5763785602,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:C-O-U,48.0,A2B9C_mP48_14_2e_9e_e:C-O-U +mp-1198839,UC2O9,-7.8333221456,-1.6442438626,0.4453059479,0.4453059479,GGA,P2_1/c,A2B9C_mP48_14_2e_9e_e:C-O-U,48.0,A2B9C_mP48_14_2e_9e_e:C-O-U +mp-1200269,UCO6,-8.4515812712,-2.1765553,0.2938904414,0.2938904414,GGA,C2/c,AB6C_mC64_15_f_6f_f:C-O-U,32.0,AB6C_mC64_15_f_6f_f:C-O-U +mp-1200108,UCO6,-8.4245717391,-2.1495457678,0.3208999736,0.3208999736,GGA,Pbca,AB6C_oP64_61_c_6c_c:C-O-U,64.0,AB6C_oP64_61_c_6c_c:C-O-U +mp-1204504,U(CO3)2,-8.2524822894,-1.6492741492,0.8448031377,0.8448031377,GGA,C2/c,A2B6C_mC72_15_2f_6f_f:C-O-U,36.0,A2B6C_mC72_15_2f_6f_f:C-O-U +mp-29761,UCO5,-9.2876674771,-2.8228790402,0.0004875214,0.0004875214,GGA,Imm2,AB5C_oI14_44_a_acd_b:C-O-U,7.0,"Invalid WP multiplicities - AB5C_oI14_44_a_a2cd_b:C-O-U, expected UCO7 to be UCO5" +mp-555173,UCO5,-9.2874652836,-2.8226768466000003,0.000689715,0.000689715,GGA,Pmmn,AB5C_oP14_59_a_aef_b:C-O-U,14.0,"Invalid WP multiplicities - AB5C_oP14_59_a_2a2e3f_b:C-O-U, expected UCO12 to be UCO5" +mp-1179589,UC2O7,-8.6670152645,-2.2294590671,0.2780007055,0.2780007055,GGA,P1,A2B7C_aP20_1_4a_14a_2a:C-O-U,20.0,A2B7C_aP20_1_4a_14a_2a:C-O-U +mp-1189020,UC2O7,-8.651623329,-2.2140671316,0.293392641,0.293392641,GGA,Fdd2,A2B7C_oF80_43_b_a3b_a:C-O-U,20.0,A2B7C_oF80_43_b_a3b_a:C-O-U +mp-935267,Li4UC3O11,-7.742552703,-2.4253593463,0.0351065901,0.0351065901,GGA,P-3c1,A3B4C11D_hP76_165_g_abg_2d3g_d:C-Li-O-U,76.0,A3B4C11D_hP76_165_g_abg_2d3g_d:C-Li-O-U +mp-1216273,W2CO,-9.275281855,0.7476218109,1.5725384681,1.5725384681,GGA+U,Pmm2,ABC2_oP4_25_a_b_cd:C-O-W,4.0,ABC2_oP4_25_a_b_cd:C-O-W +mp-1216269,W2CO,-9.269357655,0.7535460109000001,1.5784626681,1.5784626681,GGA+U,P-6m2,ABC2_hP4_187_a_b_h:C-O-W,4.0,ABC2_hP4_187_a_b_h:C-O-W +mp-541695,W(CO)6,-8.360888274,-0.8216378546,0.4656396648,0.4656396648,GGA+U,Pnma,A6B6C_oP52_62_2c2d_2c2d_c:C-O-W,52.0,"Invalid WP multiplicities - A6B6C_oP52_62_5c12d_7c10d_c:C-O-W, expected WC29O27 to be W(CO)6" +mp-1216158,WCO2,-8.2204376675,-0.2003943812,1.3277416594,1.3277416594,GGA+U,P4/mmm,AB2C_tP4_123_a_e_b:C-O-W,4.0,AB2C_tP4_123_a_e_b:C-O-W +mp-1216217,W4C3O,-9.6515276188,0.9066231448,1.3799301103,1.3799301103,GGA+U,P-6m2,A3BC4_hP8_187_ag_b_2h:C-O-W,8.0,"Invalid WP multiplicities - A3BC4_hP8_187_a2g_b_3h:C-O-W, expected W6C5O to be W4C3O" +mp-1214683,Ba2W(CO2)4,-7.8988177643,-1.6798676463,0.5169726763,0.5169726763,GGA+U,P-1,A2B4C8D_aP30_2_2i_4i_8i_i:Ba-C-O-W,30.0,A2B4C8D_aP30_2_2i_4i_8i_i:Ba-C-O-W +mp-1216282,W2(CO)3,-8.4518660688,0.1034243152,1.2647385048,1.2647385048,GGA+U,Cmmm,A3B3C2_oC16_65_ah_be_g:C-O-W,8.0,A3B3C2_oC16_65_ah_be_g:C-O-W +mp-1200695,UP2O7,-8.751787818,-3.0773042178,0.0,-0.0659749929,GGA,P1,A7B2C_aP40_1_28a_8a_4a:O-P-U,40.0,A7B2C_aP40_1_28a_8a_4a:O-P-U +mp-677370,UP2O7,-8.7225015477,-3.0480179475,0.0292862703,-0.0366887226,GGA,Pca2_1,A7B2C_oP40_29_7a_2a_a:O-P-U,40.0,"Invalid WP multiplicities - A7B2C_oP40_29_27a_7a_a:O-P-U, expected UP7O27 to be UP2O7" +mp-30330,UP2O7,-8.6482495611,-2.9737659609,0.1035382569,0.037563264,GGA,Pna2_1,A7B2C_oP80_33_14a_4a_2a:O-P-U,80.0,"Invalid WP multiplicities - A7B2C_oP80_33_17a_4a_2a:O-P-U, expected U2P4O17 to be UP2O7" +mp-1199684,UP2O13,-6.6907725792,-1.2892120624,0.7100754944000001,0.7100754944000001,GGA,P2_1/c,A13B2C_mP64_14_13e_2e_e:O-P-U,64.0,A13B2C_mP64_14_13e_2e_e:O-P-U +mp-1194480,UPO5,-9.1206260214,-3.2008894396,0.0295088686,0.0295088686,GGA,Cmce,A5BC_oC56_64_3fg_f_f:O-P-U,28.0,A5BC_oC56_64_3fg_f_f:O-P-U +mp-866825,U(PO3)4,-8.2540276597,-2.8243285673000003,0.0137053782,-0.0095389647,GGA,P-1,A12B4C_aP34_2_12i_4i_i:O-P-U,34.0,"Invalid WP multiplicities - A12B4C_aP34_2_24i_7i_i:O-P-U, expected UP7O24 to be U(PO3)4" +mp-1195378,U(PO3)4,-8.2654136721,-2.8357145796000003,0.0023193658,-0.0209249771,GGA,P-1,A12B4C_aP68_2_24i_8i_2i:O-P-U,68.0,A12B4C_aP68_2_24i_8i_2i:O-P-U +mp-1199525,U(PO3)4,-8.0248361178,-2.5951370253,0.2428969201,0.2196525772,GGA,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-U,68.0,A12B4C_mP68_14_12e_4e_e:O-P-U +mp-1202567,U(PO3)4,-8.2677330379,-2.8380339454,0.0,-0.0232443429,GGA,C2/c,A12B4C_mC272_15_2e23f_8f_2ef:O-P-U,136.0,A12B4C_mC272_15_2e23f_8f_2ef:O-P-U +mp-1195593,U(PO3)4,-8.2646214207,-2.8349223283,0.0031116171,-0.0201327257,GGA,I422,A12B4C_tI136_97_gj5k_2k_ce:O-P-U,68.0,A12B4C_tI136_97_gj5k_2k_ce:O-P-U +mp-4049,U2P2O9,-9.2325325469,-3.2379461289,0.0,-0.0051061685,GGA,Cmce,A9B2C2_oC52_64_a2fg_f_f:O-P-U,26.0,"Invalid WP multiplicities - A9B2C2_oC52_64_a3fg_f_f:O-P-U, expected U2P2O11 to be U2P2O9" +mp-622122,U2(P2O7)3,-7.4317246698,-1.9509281872,0.8334309239000001,0.8334309239000001,GGA,Cc,A21B6C2_mC116_9_21a_6a_2a:O-P-U,58.0,"Invalid WP multiplicities - A21B6C2_mC116_9_42a_12a_2a:O-P-U, expected U(P2O7)3 to be U2(P2O7)3" +mp-1179675,U2(P2O7)3,-7.4045826726,-1.92378619,0.8605729212000001,0.8605729212000001,GGA,Cc,A21B6C2_mC116_9_21a_6a_2a:O-P-U,58.0,"Invalid WP multiplicities - A21B6C2_mC116_9_42a_12a_2a:O-P-U, expected U(P2O7)3 to be U2(P2O7)3" +mp-1209045,UP3O11,-8.1801018432,-2.7171089529,0.0,-0.0457685706,GGA,P2_1/c,A11B3C_mP120_14_22e_6e_2e:O-P-U,120.0,A11B3C_mP120_14_22e_6e_2e:O-P-U +mp-1197391,U(PO2)4,-7.8662210304,-2.2879033591,0.3480773453,0.3480773453,GGA,Pbca,A8B4C_oP104_61_8c_4c_c:O-P-U,104.0,A8B4C_oP104_61_8c_4c_c:O-P-U +mp-863013,U3(PO9)2,-7.959517357,-2.1446811897,0.5028696442,0.5028696442,GGA,Pnma,A18B2C3_oP92_62_4c7d_d_cd:O-P-U,92.0,A18B2C3_oP92_62_4c7d_d_cd:O-P-U +mp-17988,U2Mn12P7,-8.7735545552,-0.6583106947,0.0,-0.0137824899,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Mn-P-U,21.0,"Invalid WP multiplicities - A12B7C2_hP21_174_4j4k_aj2k_cf:Mn-P-U, expected UMn12P5 to be U2Mn12P7" +mp-734653,UPO10,-7.2462803337,-1.7319803647,0.2030669289,0.2030669289,GGA,P4/ncc,A10BC_tP48_130_2c2g_b_c:O-P-U,48.0,A10BC_tP48_130_2c2g_b_c:O-P-U +mp-1103857,U(Mn2P)2,-8.97617716,-0.5810234183,0.0,-0.0033247917,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Mn-P-U,14.0,A4B2C_tP14_136_i_f_a:Mn-P-U +mp-1193764,U2Mn(PO11)2,-7.1306080437,-1.5232527854,0.4305863387,0.4305863387,GGA+U,C2/m,AB22C2D2_mC54_12_a_2hi4j_g_h:Mn-O-P-U,27.0,AB22C2D2_mC54_12_a_2hi4j_g_h:Mn-O-P-U +mp-21643,UMn5P3,-8.8153480553,-0.6663042786000001,0.0,-0.0069058075,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Mn-P-U,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_8c_4c_c:Mn-P-U, expected U(Mn2P)4 to be UMn5P3" +mp-16814,KTh2V3O12,-8.7530907278,-3.0558630504,0.0,-0.0059843497,GGA+U,C2/c,AB12C2D3_mC72_15_e_6f_f_ef:K-O-Th-V,36.0,AB12C2D3_mC72_15_e_6f_f_ef:K-O-Th-V +mp-1212336,La7BP2O17,-8.7003041069,-3.6576465287,0.0111148782,0.0111148782,GGA,P2_1/c,AB7C17D2_mP108_14_e_7e_17e_2e:B-La-O-P,108.0,AB7C17D2_mP108_14_e_7e_17e_2e:B-La-O-P +mp-1220562,NbWNO6,-8.2466482089,-1.4604190464,0.7513037074000001,0.7513037074000001,GGA+U,Cm,ABC6D_mC36_8_2a_2a_4a4b_b:N-Nb-O-W,18.0,ABC6D_mC36_8_2a_2a_4a4b_b:N-Nb-O-W +mp-1247532,NbWN3,-10.365341829,-0.75155782,0.1032444254,0.1032444254,GGA,C2/m,A3BC_mC20_12_3i_i_i:N-Nb-W,10.0,A3BC_mC20_12_3i_i_i:N-Nb-W +mp-662565,K3Yb(SO4)3,-5.8343140253,-1.8006077486,0.5164203974,0.4918767499,GGA,Cc,A3B12C3D_mC76_9_3a_12a_3a_a:K-O-S-Yb,,"Invalid WP multiplicities - A3B12C3D_mC76_9_3a_23a_6a_a:K-O-S-Yb, expected K3YbS6O23 to be K3Yb(SO4)3" +mp-622093,K3Yb(SO4)3,-6.1045181708,-2.0708118941,0.2462162518,0.2216726044,GGA,Cc,A3B12C3D_mC76_9_3a_12a_3a_a:K-O-S-Yb,,"Invalid WP multiplicities - A3B12C3D_mC76_9_3a_23a_6a_a:K-O-S-Yb, expected K3YbS6O23 to be K3Yb(SO4)3" +mp-1203145,K3Yb(SO4)3,-6.3507344226,-2.317028146,0.0,-0.0245436475,GGA,Cc,A3B12C3D_mC76_9_3a_12a_3a_a:K-O-S-Yb,,A3B12C3D_mC76_9_3a_12a_3a_a:K-O-S-Yb +mp-1211769,KYb(SO5)2,-5.993130692,-1.6795739724,0.3034520101,0.3034520101,GGA,P2_1/c,AB10C2D_mP56_14_e_10e_2e_e:K-O-S-Yb,,AB10C2D_mP56_14_e_10e_2e_e:K-O-S-Yb +mp-10057,VCoB3,-7.861651258,-0.6155714225000001,0.0,-0.011430567,GGA,Cmcm,A3BC_oC20_63_3c_c_c:B-Co-V,10.0,A3BC_oC20_63_3c_c_c:B-Co-V +mp-1193908,V2(Co7B2)3,-7.4008099731,-0.2449880262,0.0,-0.0076807519,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-V,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-V +mp-1193521,V3(Co10B3)2,-7.4967181117,-0.2727724312,0.0,-0.0013915033,GGA,Fm-3m,A6B20C3_cF116_225_e_fh_ac:B-Co-V,29.0,A6B20C3_cF116_225_e_fh_ac:B-Co-V +mp-1207853,VCo2BO5,-8.1738675653,-2.0946034556,0.1687375156,0.1687375156,GGA+U,Pbam,AB2C5D_oP36_55_g_adh_3g2h_g:B-Co-O-V,36.0,AB2C5D_oP36_55_g_adh_3g2h_g:B-Co-O-V +mp-781828,NiH18(I5N3)2,-4.2558520167000005,-0.495799487,0.0470913672,0.0470913672,GGA,P2_1/c,A18B10C6D_mP70_14_9e_5e_3e_a:H-I-N-Ni,70.0,"Invalid WP multiplicities - A18B10C6D_mP70_14_33e_17e_9e_a:H-I-N-Ni, expected NiH66(I17N9)2 to be NiH18(I5N3)2" +mp-28686,Ni(H2N)2,-5.4553104039,-0.3090203025,0.0243737554,0.0243737554,GGA,Pm-3,A4B2C_cP126_200_jk2l_efl_gj:H-N-Ni,126.0,A4B2C_cP126_200_jk2l_efl_gj:H-N-Ni +mp-1210513,Ni(IN)6,-4.0414246119,0.9308295673,1.1843753569,1.1843753569,GGA,C2/c,A6B6C_mC52_15_ae2f_3f_c:I-N-Ni,26.0,A6B6C_mC52_15_ae2f_3f_c:I-N-Ni +mp-1207283,Ni(IN)2,-4.069024658,1.010947188,1.3350176151,1.3350176151,GGA,Pbam,A2B2C_oP10_55_h_g_a:I-N-Ni,10.0,A2B2C_oP10_55_h_g_a:I-N-Ni +mp-1207246,Ni(IN)2,-3.924613318,1.155358528,1.4794289551,1.4794289551,GGA,Cmmm,A2B2C_oC10_65_h_i_a:I-N-Ni,5.0,A2B2C_oC10_65_h_i_a:I-N-Ni +mp-781901,NiH18(IN)6,-4.5574031247,-0.5022943137,0.0448764919,0.0448764919,GGA,C2/c,A18B6C6D_mC124_15_9f_ae2f_3f_c:H-I-N-Ni,62.0,"Invalid WP multiplicities - A18B6C6D_mC124_15_33f_2a2e5f_5f_c:H-I-N-Ni, expected NiH66(I7N5)2 to be NiH18(IN)6" +mp-1211426,Ni(I5N3)2,-3.2877037756,0.8612826791,1.0551706359,1.0551706359,GGA,P2_1/c,A10B6C_mP34_14_5e_3e_a:I-N-Ni,34.0,A10B6C_mP34_14_5e_3e_a:I-N-Ni +mp-1204317,CeH12N5F4,-5.4028069641,-1.0403436827,0.2402475343,0.2402475343,GGA,P4/ncc,AB4C12D5_tP88_130_a_g_3g_cg:Ce-F-H-N,88.0,AB4C12D5_tP88_130_a_g_3g_cg:Ce-F-H-N +mp-1237032,CeH12N5F4,-5.2268174594,-0.8643541781,0.4162370389,0.4162370389,GGA,P4/ncc,AB4C12D5_tP88_130_a_g_3g_cg:Ce-F-H-N,88.0,AB4C12D5_tP88_130_a_g_3g_cg:Ce-F-H-N +mp-989580,Cs2KNF6,-4.107695208,-1.8370379659,0.0,-0.062194236,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-N,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-N +mp-1110773,K2RbYI6,-3.478387424,-1.627587306,0.10280877,0.10280877,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Y +mp-554948,NaI(OF)2,-4.5832179108,-1.8311800773,0.0,-0.0820556433,GGA,Cmcm,A2BCD2_oC24_63_g_c_a_f:F-I-Na-O,12.0,A2BCD2_oC24_63_g_c_a_f:F-I-Na-O +mp-1194964,ErH4I3O11,-5.4743030808,-1.423129509,0.0102078705,0.0102078705,GGA,P-1,AB4C3D11_aP38_2_i_4i_3i_11i:Er-H-I-O,38.0,AB4C3D11_aP38_2_i_4i_3i_11i:Er-H-I-O +mp-1223867,K3I2Br,-3.1272242083,-1.8220645632,0.005346215,0.005346215,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Br-I-K,6.0,AB2C3_hP6_164_a_d_bd:Br-I-K +mp-1180825,KIBr2O,-2.9602929955,-0.8329908618,0.3279123719,0.3279123719,GGA,P2/m,A2BCD_mP20_10_2m2n_aceh_mn_mn:Br-I-K-O,20.0,A2BCD_mP20_10_2m2n_aceh_mn_mn:Br-I-K-O +mp-1180956,KIBr2O,-2.8242075295,-0.6969053959,0.4639978379,0.4639978379,GGA,Pnnm,A2BCD_oP20_58_2g_ac_g_g:Br-I-K-O,20.0,A2BCD_oP20_58_2g_ac_g_g:Br-I-K-O +mp-1216125,Y4Ge(O4F)2,-8.3014822447,-3.3757902491,0.1007602358,0.1007602358,GGA,P1,A2BC8D4_aP15_1_2a_a_8a_4a:F-Ge-O-Y,15.0,A2BC8D4_aP15_1_2a_a_8a_4a:F-Ge-O-Y +mp-1216315,Y14Ge4O29F5,-8.4351798115,-3.3960629948,0.0742563061,0.0742563061,GGA,P1,A5B4C29D14_aP52_1_5a_4a_29a_14a:F-Ge-O-Y,52.0,A5B4C29D14_aP52_1_5a_4a_29a_14a:F-Ge-O-Y +mp-1216154,Y6Ge2O13F3,-8.2124250133,-3.2921636576,0.106786447,0.106786447,GGA,P1,A3B2C13D6_aP24_1_3a_2a_13a_6a:F-Ge-O-Y,24.0,A3B2C13D6_aP24_1_3a_2a_13a_6a:F-Ge-O-Y +mp-559760,ScIO,-7.1599064217,-2.9090650329,0.0,-0.0320425579,GGA,C2/m,ABC_mC24_12_2i_2i_2i:I-O-Sc,12.0,"Invalid WP multiplicities - ABC_mC24_12_3i_4i_4i:I-O-Sc, expected Sc4I3O4 to be ScIO" +mp-30002,Sc(IO3)3,-5.6977835181,-1.4460322445,0.0,-0.0592574194,GGA,R-3,A3B9C_hR78_148_f_3f_c:I-O-Sc,26.0,"Invalid WP multiplicities - A3B9C_hR78_148_f_4f_c:I-O-Sc, expected Sc(IO4)3 to be Sc(IO3)3" +mp-736217,ScH16I3O8,-4.7170501503,-0.9809896301,0.3343561659,0.3343561659,GGA,P2_1/c,A16B3C8D_mP112_14_16e_3e_8e_e:H-I-O-Sc,112.0,A16B3C8D_mP112_14_16e_3e_8e_e:H-I-O-Sc +mp-1203306,ScH11(IO3)2,-5.250613858,-1.4366478296,0.0,-0.0096303306,GGA,P-1,A11B2C6D_aP40_2_11i_2i_6i_i:H-I-O-Sc,40.0,A11B2C6D_aP40_2_11i_2i_6i_i:H-I-O-Sc +mp-1111380,K2RbVF6,-5.387050805,-3.0116396209,0.1222963154,0.1222963154,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-V +mp-557411,KRb2VF6,-5.51816115,-3.1557364533,0.0,-0.0681538531,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-V +mp-1205026,K6Ta3O8F13,-6.2922387243,-2.7369566297,0.1895743427,0.1895743427,GGA,Pnma,A13B6C8D3_oP120_62_7c3d_2c2d_2c3d_3c:F-K-O-Ta,120.0,A13B6C8D3_oP120_62_7c3d_2c2d_2c3d_3c:F-K-O-Ta +mp-727779,K3TaO2F7,-5.8125533446,-2.8538837549,0.131654347,0.131654347,GGA,Pna2_1,A7B3C2D_oP52_33_7a_3a_2a_a:F-K-O-Ta,52.0,A7B3C2D_oP52_33_7a_3a_2a_a:F-K-O-Ta +mp-734845,K3TaO2F7,-5.8178178187,-2.859148229,0.126389873,0.126389873,GGA,Pnma,A7B3C2D_oP52_62_3c2d_cd_d_c:F-K-O-Ta,52.0,A7B3C2D_oP52_62_3c2d_cd_d_c:F-K-O-Ta +mp-6651,K2Ta2(OF2)3,-7.5047917406,-3.4859230411,0.0,-0.0514057405,GGA,Pnma,A6B2C3D2_oP52_62_2c2d_2c_cd_2c:F-K-O-Ta,52.0,A6B2C3D2_oP52_62_2c2d_2c_cd_2c:F-K-O-Ta +mp-1201381,PrB5IO11,-7.7219112829,-2.4960886839,0.1668229492,0.1668229492,GGA,P2_1/c,A5BC11D_mP72_14_5e_e_11e_e:B-I-O-Pr,72.0,A5BC11D_mP72_14_5e_e_11e_e:B-I-O-Pr +mp-1204720,PrB7IO15,-7.3328778258,-2.0324467771,0.57211905,0.57211905,GGA,P2_1/c,A7BC15D_mP96_14_7e_e_15e_e:B-I-O-Pr,96.0,A7BC15D_mP96_14_7e_e_15e_e:B-I-O-Pr +mp-1191289,Na2UI4O15,-5.741540405,-1.4674378293,0.0551341987,0.0551341987,GGA,C2,A4B2C15D_mC44_5_2c_2b_a7c_a:I-Na-O-U,22.0,A4B2C15D_mC44_5_2c_2b_a7c_a:I-Na-O-U +mp-676637,Na2UI6,-4.3274392975,-1.7966994423,0.0,-0.4753127014,GGA,P1,A6B2C_aP36_1_24a_8a_4a:I-Na-U,36.0,A6B2C_aP36_1_24a_8a_4a:I-Na-U +mp-677056,Na2UI6,-3.8472845252,-1.31654467,0.4801547723,0.0048420709,GGA,P1,A6B2C_aP27_1_18a_6a_3a:I-Na-U,27.0,A6B2C_aP27_1_18a_6a_3a:I-Na-U +mp-1221298,Na2UI6,-3.8344724911,-1.3037326359,0.4929668064,0.017654105,GGA,Fmmm,A6B2C_oF36_69_gm_d_a:I-Na-U,9.0,"Invalid WP multiplicities - A6B2C_oF36_69_2g2m_d_a:I-Na-U, expected Na2UI12 to be Na2UI6" +mp-1221281,Na2UI6,-3.8451973433,-1.3144574881,0.4822419542,0.0069292528,GGA,R3,A6B2C_hR27_146_2b_2a_a:I-Na-U,9.0,A6B2C_hR27_146_2b_2a_a:I-Na-U +mp-23546,Na2UI6,-3.87108403,-1.3403441748,0.4563552675,-0.0189574339,GGA,R-3,A6B2C_hR27_148_f_c_a:I-Na-U,9.0,A6B2C_hR27_148_f_c_a:I-Na-U +mp-675122,Na2UI6,-3.7806504956,-1.2499106403,0.5467888019,0.0714761006,GGA,Pn-3m,A6B2C_cP18_224_g_b_a:I-Na-U,18.0,A6B2C_cP18_224_g_b_a:I-Na-U +mp-1208857,Sm3B2(O2F)3,-8.2505966204,-3.755660112,0.0068835918,0.0068835918,GGA,C2/c,A2B3C6D3_mC56_15_f_ef_3f_ef:B-F-O-Sm,28.0,A2B3C6D3_mC56_15_f_ef_3f_ef:B-F-O-Sm +mp-1204501,CsY(BH4)4,-4.4618576307,-0.4453550266,0.0007079172,0.0007079172,GGA,I4_1/a,A4BC16D_tI88_88_f_a_4f_b:B-Cs-H-Y,44.0,A4BC16D_tI88_88_f_a_4f_b:B-Cs-H-Y +mp-561502,Ba8B5N10F,-6.9552502468,-1.3708674721,0.0,-0.0061544062,GGA,P-1,A5B8CD10_aP96_2_10i_bd15i_2i_20i:B-Ba-F-N,96.0,"Invalid WP multiplicities - A5B8CD10_aP96_2_20i_bd28i_2i_40i:B-Ba-F-N, expected Ba29B20(N20F)2 to be Ba8B5N10F" +mp-558430,BaB2F8,-6.3233963909,-3.5443427344,0.0,-0.145197363,GGA,C2/m,A2BC8_mC22_12_i_a_2ij:B-Ba-F,11.0,"Invalid WP multiplicities - A2BC8_mC22_12_i_a_4i3j:B-Ba-F, expected BaB2F20 to be BaB2F8" +mp-662570,BaB2F8,-6.2962258928,-3.5171722363,0.0271704981,-0.1180268649,GGA,P2_1/c,A2BC8_mP88_14_4e_2e_16e:B-Ba-F,88.0,"Invalid WP multiplicities - A2BC8_mP88_14_13e_5e_62e:B-Ba-F, expected Ba5B13F62 to be BaB2F8" +mp-654051,Nb6SI9,-5.7118089616,-0.8365228830000001,0.0,-0.0347863286,GGA,P-1,A9B6C_aP32_2_9i_6i_i:I-Nb-S,32.0,"Invalid WP multiplicities - A9B6C_aP32_2_17i_12i_i:I-Nb-S, expected Nb12SI17 to be Nb6SI9" +mp-1220559,Nb4H3S8,-6.7370440867,-1.158710938,0.0,-0.064050761,GGA,P-6m2,A3B4C8_hP15_187_ch_abi_2g2i:H-Nb-S,15.0,"Invalid WP multiplicities - A3B4C8_hP15_187_ch_abi_4g4i:H-Nb-S, expected Nb4H3S16 to be Nb4H3S8" +mp-1180573,Nb6HI11,-5.2090924511,-0.7531154436,0.006489586,-0.0234037524,GGA,Pna2_1,AB11C6_oP72_33_a_11a_6a:H-I-Nb,72.0,AB11C6_oP72_33_a_11a_6a:H-I-Nb +mp-696500,Nb6HI11,-5.2155820371,-0.7596050296,0.0,-0.0298933384,GGA,Pccn,AB11C6_oP72_56_a_c5e_3e:H-I-Nb,72.0,AB11C6_oP72_56_a_c5e_3e:H-I-Nb +mp-1209965,NbSI,-6.3923577192,-1.1553173002,0.0111849719,0.0111849719,GGA,F-43m,ABC_cF48_216_e_e_e:I-Nb-S,12.0,ABC_cF48_216_e_e_e:I-Nb-S +mp-541158,Nb3SI7,-5.014137432,-0.9455983923,0.0,-0.0086360374,GGA,P2_1/c,A7B3C_mP44_14_7e_3e_e:I-Nb-S,44.0,A7B3C_mP44_14_7e_3e_e:I-Nb-S +mp-583476,Nb7S2I19,-4.7487709497,-0.928199676,0.0,-0.0160850924,GGA,P2_1/c,A19B7C2_mP112_14_19e_7e_2e:I-Nb-S,112.0,"Invalid WP multiplicities - A19B7C2_mP112_14_76e_21e_4e:I-Nb-S, expected Nb21(SI19)4 to be Nb7S2I19" +mp-1195198,H3S,-3.7990467388,-0.2203897383,0.016941355,0.016941355,GGA,P1,A3B_aP32_1_24a_8a:H-S,32.0,A3B_aP32_1_24a_8a:H-S +mp-1097767,H3S,-3.2794024825,0.299254518,0.5365856112,0.5365856112,GGA,Cm,A3B_mC8_8_ab_a:H-S,4.0,A3B_mC8_8_ab_a:H-S +mp-1195257,H3S,-3.7214518878,-0.1427948873,0.0945362059,0.0945362059,GGA,Cccm,A3B_oC64_66_gi2lm_2l:H-S,32.0,A3B_oC64_66_gi2lm_2l:H-S +mp-1063678,H3S,-3.2784673975,0.300189603,0.5375206962,0.5375206962,GGA,R3m,A3B_hR12_160_b_a:H-S,4.0,A3B_hR12_160_b_a:H-S +mp-1063581,H3S,-2.9935911025,0.5850658980000001,0.8223969912,0.8223969912,GGA,Im-3m,A3B_cI8_229_b_a:H-S,4.0,A3B_cI8_229_b_a:H-S +mp-33024,H2S,-3.9462326433,-0.3055986577,0.0108428,-0.1096966681,GGA,P1,A2B_aP12_1_8a_4a:H-S,12.0,A2B_aP12_1_8a_4a:H-S +mp-696805,H2S,-3.9570754433,-0.3164414577,0.0,-0.1205394681,GGA,Pbcm,A2B_oP24_57_2de_2d:H-S,24.0,A2B_oP24_57_2de_2d:H-S +mp-1191644,H2S,-3.946832345,-0.3061983594,0.0102430983,-0.1102963698,GGA,Ibca,A2B_oI48_73_2f_cd:H-S,24.0,A2B_oI48_73_2f_cd:H-S +mp-721582,H2S,-3.9450544615,-0.3044204758,0.0120209819,-0.1085184863,GGA,P4_2,A2B_tP48_77_8d_4d:H-S,48.0,A2B_tP48_77_8d_4d:H-S +mp-697135,H2S,-3.91109767,-0.2704636844,0.0459777733,-0.0745616948,GGA,I4_1/acd,A2B_tI48_142_g_e:H-S,24.0,A2B_tI48_142_g_e:H-S +mp-24201,H2S,-2.98226736,0.6583666256,0.9748080833,0.8542686152000001,GGA,Fm-3m,A2B_cF12_225_c_a:H-S,3.0,A2B_cF12_225_c_a:H-S +mp-1210167,Nb6HSI9,-5.6111307853,-0.8230541205,0.0,-0.0130546154,GGA,P-1,AB9C6D_aP34_2_ab_9i_6i_i:H-I-Nb-S,34.0,AB9C6D_aP34_2_ab_9i_6i_i:H-I-Nb-S +mp-1196028,Lu2B2N2O13,-7.4011959195,-1.9601102522,0.1567579009,0.1567579009,GGA,P-1,A2B2C2D13_aP76_2_4i_4i_4i_26i:B-Lu-N-O,76.0,A2B2C2D13_aP76_2_4i_4i_4i_26i:B-Lu-N-O +mp-1201985,RbY(BH4)4,-4.4669508675,-0.4465786407,0.0,-0.0022115801,GGA,P2_1/c,A4B16CD_mP88_14_4e_16e_e_e:B-H-Rb-Y,88.0,A4B16CD_mP88_14_4e_16e_e_e:B-H-Rb-Y +mp-634464,K3B12H12Br,-3.9288376979,0.5622208365,1.1335969518,1.1335969518,GGA,C2/m,A12BC12D3_mC56_12_2i2j_c_2i2j_be:B-Br-H-K,28.0,"Invalid WP multiplicities - A12BC12D3_mC56_12_4i4j_a_4i4j_ce:B-Br-H-K, expected K3B24H24Br to be K3B12H12Br" +mp-1180984,K3B12H12Br,-4.1541178021,0.3369407322,0.9083168475,0.9083168475,GGA,C2/m,A12BC12D3_mC56_12_2i2j_c_2i2j_be:B-Br-H-K,28.0,"Invalid WP multiplicities - A12BC12D3_mC56_12_4i4j_a_4i4j_de:B-Br-H-K, expected K3B24H24Br to be K3B12H12Br" +mp-510549,K3B12H12Br,-4.9770634775,-0.4860049432,0.0853711721,0.0853711721,GGA,R-3m,A12BC12D3_hR84_166_2h_a_2h_d:B-Br-H-K,28.0,A12BC12D3_hR84_166_2h_a_2h_d:B-Br-H-K +mp-767165,K2LiVS4,-5.13028147,-1.4103531827,0.0,-0.00757018,GGA,Cc,A2BC4D_mC64_9_4a_2a_8a_2a:K-Li-S-V,32.0,"Invalid WP multiplicities - A2BC4D_mC64_9_6a_2a_12a_2a:K-Li-S-V, expected K3LiVS6 to be K2LiVS4" +mp-558010,KEr(WO4)2,-8.6186990112,-2.6880416857,0.0,-0.022181691,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Er-K-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_e_13f_f:Er-K-O-W, expected KEr(WO13)2 to be KEr(WO4)2" +mp-12334,KTl(CN)4,-7.144873112,0.2284952644,0.4695776243,0.4695776243,GGA,I4_1/a,A4BC4D_tI40_88_f_a_f_b:C-K-N-Tl,20.0,A4BC4D_tI40_88_f_a_f_b:C-K-N-Tl +mp-1194527,YTl2P2S7,-5.290573795,-1.042781171,0.0,-0.032954194,GGA,C2/c,A2B7C2D_mC96_15_2f_7f_2f_f:P-S-Tl-Y,48.0,A2B7C2D_mC96_15_2f_7f_2f_f:P-S-Tl-Y +mp-1111921,K2LiVF6,-5.592260943,-3.1240108794,0.0341293549,0.0341293549,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-V +mp-22551,UP2(PbO5)2,-8.0366514567,-2.7693050383,0.0,-0.0322413147,GGA,P-1,A10B2C2D_aP30_2_10i_2i_2i_i:O-P-Pb-U,30.0,A10B2C2D_aP30_2_10i_2i_2i_i:O-P-Pb-U +mp-1198284,U3P2Pb2O21,-7.8031390775,-2.2314750732,0.2844050642,0.2844050642,GGA,P2_1/m,A21B2C2D3_mP56_11_5e8f_f_f_ef:O-P-Pb-U,56.0,A21B2C2D3_mP56_11_5e8f_f_f_ef:O-P-Pb-U +mp-1209059,U3P2(PbO8)2,-8.7405272061,-3.0329990077,0.0298115943,0.0298115943,GGA,P2_1/m,A16B2C2D3_mP46_11_4e6f_f_f_ef:O-P-Pb-U,46.0,A16B2C2D3_mP46_11_4e6f_f_f_ef:O-P-Pb-U +mp-557217,Cr2PIO4,-7.9033291178,-2.1558892876,0.0,-0.0288722173,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Cr-I-O-P,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_4e_e_4e_e:Cr-I-O-P, expected Cr4PIO4 to be Cr2PIO4" +mp-27612,BH7N2,-4.9363990740000006,-0.2262526804,0.235095904,0.235095904,GGA,Pbcn,AB7C2_oP80_60_d_7d_2d:B-H-N,80.0,"Invalid WP multiplicities - AB7C2_oP80_60_d_10d_2d:B-H-N, expected B(H5N)2 to be BH7N2" +mp-1197795,Rb2B10(H5N)5,-5.0076197556,-0.3586766222,0.1879962657,0.1879962657,GGA,Pnma,A10B25C5D2_oP168_62_4c3d_7c9d_3cd_d:B-H-N-Rb,168.0,A10B25C5D2_oP168_62_4c3d_7c9d_3cd_d:B-H-N-Rb +mp-1214811,B3H5N3,-6.4156622348,-0.7782722064,0.0188441734,0.0188441734,GGA,C2/c,A3B5C3_mC88_15_2e2f_2e4f_2e2f:B-H-N,44.0,A3B5C3_mC88_15_2e2f_2e4f_2e2f:B-H-N +mp-1236886,B3H5N3,-6.4132138295,-0.7758238011,0.0212925786,0.0212925786,GGA,C2/c,A3B5C3_mC88_15_2e2f_2e4f_2e2f:B-H-N,44.0,A3B5C3_mC88_15_2e2f_2e4f_2e2f:B-H-N +mp-27892,B5H11N2,-5.1920925313,-0.3370961313,0.1129380676,0.1129380676,GGA,C2/c,A5B11C2_mC144_15_5f_11f_2f:B-H-N,72.0,"Invalid WP multiplicities - A5B11C2_mC144_15_5f_14f_2f:B-H-N, expected B5(H7N)2 to be B5H11N2" +mp-1197839,B2H8N,-4.6893540001,-0.2496188341,0.084422852,0.084422852,GGA,P2_12_12_1,A2B8C_oP88_19_4a_16a_2a:B-H-N,88.0,A2B8C_oP88_19_4a_16a_2a:B-H-N +mp-1200679,BHN4,-7.6468506572,-0.4105010712,0.1705548156,0.1705548156,GGA,P-1,ABC4_aP72_2_6i_6i_24i:B-H-N,72.0,ABC4_aP72_2_6i_6i_24i:B-H-N +mp-27893,B5H9N,-5.1487414093,-0.3308755304,0.0644280701,0.0644280701,GGA,Pnma,A5B9C_oP120_62_4c3d_6c6d_2c:B-H-N,120.0,"Invalid WP multiplicities - A5B9C_oP120_62_4c3d_7c8d_2c:B-H-N, expected B10H23N2 to be B5H9N" +mp-696812,B3H7N,-4.6075793293,0.13094363,0.5333215421,0.5333215421,GGA,P2_1/c,A3B7C_mP44_14_3e_7e_e:B-H-N,44.0,A3B7C_mP44_14_3e_7e_e:B-H-N +mp-675418,BH6N,-4.7357601679,-0.3142297972,0.0511152102,0.0511152102,GGA,P1,AB6C_aP24_1_3a_18a_3a:B-H-N,24.0,AB6C_aP24_1_3a_18a_3a:B-H-N +mp-1106386,BH6N,-4.7338974225,-0.3123670518,0.0529779556,0.0529779556,GGA,P2_1,AB6C_mP16_4_a_6a_a:B-H-N,16.0,AB6C_mP16_4_a_6a_a:B-H-N +mp-1198500,BH6N,-4.7235338053,-0.3020034346,0.0633415728,0.0633415728,GGA,P2_1,AB6C_mP32_4_2a_12a_2a:B-H-N,32.0,AB6C_mP32_4_2a_12a_2a:B-H-N +mp-35082,BH6N,-4.7470912637,-0.325560893,0.0397841144,0.0397841144,GGA,Pmn2_1,AB6C_oP16_31_a_2a2b_a:B-H-N,16.0,"Invalid WP multiplicities - AB6C_oP16_31_a_2a5b_a:B-H-N, expected BH12N to be BH6N" +mp-1105968,BH6N,-4.7399412775,-0.3184109068,0.0469341006,0.0469341006,GGA,Cmc2_1,AB6C_oC32_36_a_2a2b_a:B-H-N,16.0,AB6C_oC32_36_a_2a2b_a:B-H-N +mp-1188579,BH6N,-4.7479026087000005,-0.326372238,0.0389727694,0.0389727694,GGA,Cmc2_1,AB6C_oC32_36_a_2a2b_a:B-H-N,16.0,AB6C_oC32_36_a_2a2b_a:B-H-N +mp-1228633,BH6N,-4.4505490375,-0.0290186668,0.3363263406,0.3363263406,GGA,Imm2,AB6C_oI16_44_a_2cd_a:B-H-N,8.0,AB6C_oI16_44_a_2cd_a:B-H-N +mp-1203483,BH6N,-4.7313903491,-0.3098599783,0.0554850291,0.0554850291,GGA,Pnma,AB6C_oP32_62_c_2c2d_c:B-H-N,32.0,AB6C_oP32_62_c_2c2d_c:B-H-N +mp-29475,BH2N,-6.1687761429,-0.7184414465000001,0.0122485683,0.0122485683,GGA,P4_32_12,AB2C_tP48_96_ab_2a2b_ab:B-H-N,48.0,"Invalid WP multiplicities - AB2C_tP48_96_2a2b_3a4b_ab:B-H-N, expected B6H11N3 to be BH2N" +mp-28668,B9H11N4,-5.5853295792,-0.136142407,0.5075881210000001,0.5075881210000001,GGA,P2_1/c,A9B11C4_mP96_14_9e_11e_4e:B-H-N,96.0,A9B11C4_mP96_14_9e_11e_4e:B-H-N +mp-1228732,BH4N,-4.8013866258,-0.0369214799,0.4502051967,0.4502051967,GGA,Pmn2_1,AB4C_oP12_31_a_2ab_a:B-H-N,12.0,AB4C_oP12_31_a_2ab_a:B-H-N +mp-27341,BH4N,-5.2086547354,-0.4441895894,0.0429370871,0.0429370871,GGA,Pbcm,AB4C_oP72_57_de_4d4e_de:B-H-N,72.0,"Invalid WP multiplicities - AB4C_oP72_57_de_4d7e_de:B-H-N, expected BH6N to be BH4N" +mp-1196163,B3H10N,-4.6523618005,-0.2022238943,0.1139301795,0.1139301795,GGA,P2_1/c,A3B10C_mP56_14_3e_10e_e:B-H-N,56.0,A3B10C_mP56_14_3e_10e_e:B-H-N +mp-1205056,RbB6(H9N2)2,-5.0680801875,-0.3966342148,0.1374492848,0.1374492848,GGA,Pnnm,A6B18C4D_oP116_58_2g2h_4g7h_2gh_e:B-H-N-Rb,116.0,A6B18C4D_oP116_58_2g2h_4g7h_2gh_e:B-H-N-Rb +mp-31064,B6H10N,-5.2365504997,-0.3930148526,0.0,-0.0603522243,GGA,Fm-3,A6B10C_cF136_202_h_fh_c:B-H-N,34.0,A6B10C_cF136_202_h_fh_c:B-H-N +mp-733481,B8H10N,-5.1352703587,-0.0984866986,0.2531581696,0.2531581696,GGA,P2_1/c,A8B10C_mP76_14_8e_10e_e:B-H-N,76.0,A8B10C_mP76_14_8e_10e_e:B-H-N +mp-1190290,BH8N,-4.433496253,-0.2177267474,0.0745492585,0.0745492585,GGA,Pma2,AB8C_oP20_28_c_2c3d_a:B-H-N,20.0,AB8C_oP20_28_c_2c3d_a:B-H-N +mp-1200862,B3H12N,-4.4806313978,-0.1626699742,0.1139648404,0.1139648404,GGA,Cmcm,A3B12C_oC64_63_cf_2f2gh_c:B-H-N,32.0,A3B12C_oC64_63_cf_2f2gh_c:B-H-N +mp-29306,B5(H2N)2,-5.9586095530000005,-0.1730774726,0.4950058995,0.4950058995,GGA,C2/c,A5B4C2_mC88_15_5f_4f_2f:B-H-N,44.0,"Invalid WP multiplicities - A5B4C2_mC88_15_9f_8f_2f:B-H-N, expected B9(H4N)2 to be B5(H2N)2" +mp-29700,CS3N,-6.0609566993,-0.0660546956,0.1953851109,0.1953851109,GGA,C2/c,ABC3_mC80_15_2f_2f_6f:C-N-S,40.0,ABC3_mC80_15_2f_2f_6f:C-N-S +mp-1214236,CSN3,-7.475025042,0.1998949849,0.287041587,0.287041587,GGA,P-1,AB3C_aP10_2_i_3i_i:C-N-S,10.0,AB3C_aP10_2_i_3i_i:C-N-S +mp-30063,C2S9N2,-5.7280456812,-0.1620172475,0.1396440676,0.1396440676,GGA,P2_1,A2B2C9_mP26_4_2a_2a_9a:C-N-S,26.0,A2B2C9_mP26_4_2a_2a_9a:C-N-S +mp-28390,CS3N4,-6.5269271888,0.3460721604,0.5094720394,0.5094720394,GGA,P2_1/c,AB4C3_mP32_14_e_4e_3e:C-N-S,32.0,AB4C3_mP32_14_e_4e_3e:C-N-S +mp-560169,C(SN)2,-6.5641864302,0.270724585,0.4450177893,0.4450177893,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:C-N-S,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_4e_9e_8e:C-N-S, expected C4S8N9 to be C(SN)2" +mp-30054,CS2N,-6.4207347459,0.0387802919,0.2566467973,0.2566467973,GGA,P2_1/c,ABC2_mP32_14_2e_2e_4e:C-N-S,32.0,ABC2_mP32_14_2e_2e_4e:C-N-S +mp-616463,C2SN2,-7.4748561215,0.3784980189,0.465644621,0.465644621,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:C-N-S,40.0,"Invalid WP multiplicities - A2B2C_oP40_61_8c_7c_c:C-N-S, expected C8SN7 to be C2SN2" +mp-1227602,CSN2,-6.8938349938,0.6156913086,0.7246245613000001,0.7246245613000001,GGA,Pc,AB2C_mP8_7_a_2a_a:C-N-S,8.0,"Invalid WP multiplicities - AB2C_mP8_7_a_3a_a:C-N-S, expected CSN3 to be CSN2" +mp-1182147,CSN2,-6.570192335,0.9393339673,1.04826722,1.04826722,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-N-S,16.0,AB2C_mP16_14_e_2e_e:C-N-S +mp-725061,CSN2,-6.5880923225,0.9214339798,1.0303672325,1.0303672325,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-N-S,16.0,AB2C_mP16_14_e_2e_e:C-N-S +mp-1189652,CSN2,-6.5839063669,0.9256199355,1.0345531882,1.0345531882,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-N-S,16.0,AB2C_mP16_14_e_2e_e:C-N-S +mp-1214102,CSN2,-7.3397050131,0.1698212892,0.2787545419,0.2787545419,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-N-S,16.0,AB2C_mP16_14_e_2e_e:C-N-S +mp-1106390,CSN2,-6.9827457694,0.526780533,0.6357137857,0.6357137857,GGA,Pmc2_1,AB2C_oP16_26_ab_2c_ab:C-N-S,16.0,AB2C_oP16_26_ab_2c_ab:C-N-S +mp-732278,CSN2,-6.7151910463,0.7943352561,0.9032685088,0.9032685088,GGA,Pnma,AB2C_oP16_62_c_d_c:C-N-S,16.0,AB2C_oP16_62_c_d_c:C-N-S +mp-540807,C2S3N2,-6.67514521,0.1162362808,0.3029789997,0.3029789997,GGA,Pnma,A2B2C3_oP28_62_d_d_cd:C-N-S,28.0,A2B2C3_oP28_62_d_d_cd:C-N-S +mp-22175,EuC2(SN)2,-8.3432052736,-0.6774592209,0.0805478498,0.0805478498,GGA,C2/c,A2BC2D2_mC28_15_f_e_f_f:C-Eu-N-S,14.0,A2BC2D2_mC28_15_f_e_f_f:C-Eu-N-S +mp-15093,Zr2P2WO12,-8.9256466112,-3.0291524325,0.0088975907,0.0088975907,GGA+U,Pbcn,A12B2CD2_oP68_60_6d_d_c_d:O-P-W-Zr,68.0,"Invalid WP multiplicities - A12B2CD2_oP68_60_7d_d_c_d:O-P-W-Zr, expected Zr2P2WO14 to be Zr2P2WO12" +mp-1207645,YBeNF6,-5.9599628539000005,-2.6253792196,0.5268287141,0.5268287141,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Y,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Y +mp-725512,Y3NF10,-6.7667753239,-3.4202968996,0.3751098964,0.3751098964,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-N-Y,28.0,A10BC3_cF112_225_fh_c_e:F-N-Y +mp-1211247,KYBeF6,-6.4145359633,-3.8828518822,0.0,-0.0130183694,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Y,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Y +mp-1212215,K3Zr2NF12,-6.0327365156,-3.1604675913,0.155132656,0.155132656,GGA,C2/m,A12B3CD2_mC72_12_4i4j_3i_i_gh:F-K-N-Zr,36.0,A12B3CD2_mC72_12_4i4j_3i_i_gh:F-K-N-Zr +mp-729468,Zr(NF3)2,-5.8165772154,-1.7399589615000002,0.4836495732,0.4836495732,GGA,Pca2_1,A6B2C_oP72_29_12a_4a_2a:F-N-Zr,72.0,A6B2C_oP72_29_12a_4a_2a:F-N-Zr +mp-1207386,ZrNF,-9.0118468742,-2.7466220333,0.0,-0.0987578515,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-N-Zr,12.0,ABC_mP12_14_e_e_e:F-N-Zr +mp-732208,ZrNF5,-6.2911044493,-2.5137343932,0.3451908657,0.3451908657,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-N-Zr,28.0,A5BC_mP28_14_5e_e_e:F-N-Zr +mp-29966,NOF,-5.8970058808,-0.8321183462,0.0,-0.4113052083,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:F-N-O,12.0,ABC_oP12_19_a_a_a:F-N-O +mp-1179398,ThN3F7,-5.7925321845,-1.6285598393,0.4524756859,0.4524756859,GGA,Pnma,A7B3C_oP44_62_3c2d_cd_c:F-N-Th,44.0,A7B3C_oP44_62_3c2d_cd_c:F-N-Th +mp-1198401,ThN3F7,-5.2897368675,-1.1257645223,0.955271003,0.955271003,GGA,Pnma,A7B3C_oP44_62_3c2d_cd_c:F-N-Th,44.0,A7B3C_oP44_62_3c2d_cd_c:F-N-Th +mp-732182,ThN3F7,-5.3126802141,-1.1487078689,0.9323276564,0.9323276564,GGA,Pnma,A7B3C_oP44_62_3c2d_cd_c:F-N-Th,44.0,A7B3C_oP44_62_3c2d_cd_c:F-N-Th +mp-8226,ThNF,-8.99845088,-3.1111734992,0.0,-0.1201930041,GGA,R-3m,ABC_hR18_166_c_c_c:F-N-Th,6.0,ABC_hR18_166_c_c_c:F-N-Th +mp-725941,Th(NF2)4,-5.3880593719,-1.0763924727,0.6946088912,0.6541082904000001,GGA,P-1,A8B4C_aP26_2_8i_4i_i:F-N-Th,26.0,A8B4C_aP26_2_8i_4i_i:F-N-Th +mp-1192999,Th(NF2)4,-6.0826682631,-1.7710013638,0.0,-0.0405006008,GGA,P-1,A8B4C_aP26_2_8i_4i_i:F-N-Th,26.0,A8B4C_aP26_2_8i_4i_i:F-N-Th +mp-677238,Th10N9F13,-8.6861868709,-3.2481786396,0.0798899353,0.0798899353,GGA,P-4m2,A13B9C10_tP32_115_abc2e2fg_d2e2f_5g:F-N-Th,32.0,"Invalid WP multiplicities - A13B9C10_tP32_115_abc4e4f2g_d3e3f_10g:F-N-Th, expected Th20N13F23 to be Th10N9F13" +mp-1211164,Th2N7OF15,-5.4554057573,-1.1833235894,0.7478418744,0.7478418744,GGA,P2_13,A15B7CD2_cP100_198_5b_a2b_a_2a:F-N-O-Th,100.0,A15B7CD2_cP100_198_5b_a2b_a_2a:F-N-O-Th +mp-1179853,Pt(I3N2)2,-3.2912389636,1.09578932,1.4355078313,1.4355078313,GGA,Pnnm,A6B4C_oP22_58_e2g_h_a:I-N-Pt,22.0,A6B4C_oP22_58_e2g_h_a:I-N-Pt +mp-1209519,Pt(IN)2,-4.0809551525,1.0572160215,1.3964525287,1.3964525287,GGA,I4/mmm,A2B2C_tI20_139_i_j_ab:I-N-Pt,20.0,A2B2C_tI20_139_i_j_ab:I-N-Pt +mp-1180003,PtI5(NO)2,-4.282078728,-0.2816454937,0.2287795778,0.2287795778,GGA,Cmc2_1,A5B2C2D_oC80_36_8ab_2b_2b_2a:I-N-O-Pt,40.0,A5B2C2D_oC80_36_8ab_2b_2b_2a:I-N-O-Pt +mp-1078594,Pt(I3N)2,-2.6834344156,0.8259346144,1.1650728932,1.1650728932,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:I-N-Pt,9.0,A6B2C_cF36_225_e_c_a:I-N-Pt +mp-558108,U3Tl2(IO5)4,-6.9765669648,-2.0308167597,0.0041882523,0.0041882523,GGA,P-1,A4B20C2D3_aP29_2_2i_10i_i_ai:I-O-Tl-U,29.0,"Invalid WP multiplicities - A4B20C2D3_aP29_2_3i_19i_i_ai:I-O-Tl-U, expected U3Tl2(I3O19)2 to be U3Tl2(IO5)4" +mp-1111122,K2YTlF6,-5.541748546,-3.2898699501,0.107375287,0.107375287,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Tl-Y +mp-1199374,TaH9N3F5,-5.8429490558,-1.5674384088000002,0.0,-0.0273299072,GGA,P2_1/c,A5B9C3D_mP72_14_5e_9e_3e_e:F-H-N-Ta,72.0,A5B9C3D_mP72_14_5e_9e_3e_e:F-H-N-Ta +mp-1392327,YVF5,-7.2294803657,-3.6426557913,0.1733094568,0.1733094568,GGA+U,Immm,A5BC_oI14_71_ceg_b_a:F-V-Y,7.0,A5BC_oI14_71_ceg_b_a:F-V-Y +mp-1044893,Ba2YV2F11,-6.8202247981,-3.7265684371,0.0811030719,0.0811030719,GGA+U,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-V-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-V-Y, expected Ba5YV5F31 to be Ba2YV2F11" +mp-565711,P2O2F3,-6.288825441,-2.5096226783,0.0052607063,0.0052607063,GGA,P3c1,A3B2C2_hP84_158_6d_abc3d_abc3d:F-O-P,84.0,"Invalid WP multiplicities - A3B2C2_hP84_158_27d_2a2b2c15d_2a2bc13d:F-O-P, expected P44(O17F27)3 to be P2O2F3" +mp-1200699,P2O3F4,-6.4406235739,-2.7392250164,0.0,-0.0422214871,GGA,Pcca,A4B3C2_oP36_54_2f_cf_f:F-O-P,36.0,A4B3C2_oP36_54_2f_cf_f:F-O-P +mp-1212781,Eu5P3O12F,-9.4833760643,-3.3502017775,0.0,-0.0131887117,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Eu-F-O-P,42.0,A5BC12D3_hP42_176_fh_a_2hi_h:Eu-F-O-P +mp-1189348,K2Te(IO6)2,-4.8031668888,-0.8225138875,0.3259222074,0.3259222074,GGA,R-3,A2B2C12D_hR51_148_c_c_2f_a:I-K-O-Te,17.0,A2B2C12D_hR51_148_c_c_2f_a:I-K-O-Te +mp-27688,K2TeI6,-2.6226838422,-1.044428077,0.0,-0.0275960136,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:I-K-Te,18.0,A6B2C_mP18_14_3e_e_a:I-K-Te +mp-1196231,KTeIO9,-4.7817010454,-0.5944285795,0.4428195485,0.4428195485,GGA,Pna2_1,ABC9D_oP48_33_a_a_9a_a:I-K-O-Te,48.0,ABC9D_oP48_33_a_a_9a_a:I-K-O-Te +mp-1198395,KTeIO9,-4.7540074744,-0.5667350084,0.4705131196,0.4705131196,GGA,Pna2_1,ABC9D_oP48_33_a_a_9a_a:I-K-O-Te,48.0,ABC9D_oP48_33_a_a_9a_a:I-K-O-Te +mp-669375,Gd3B2(O2F)3,-10.2284297186,-3.728306902,0.0148433676,0.0148433676,GGA,C2/c,A2B3C3D6_mC56_15_f_ef_ef_3f:B-F-Gd-O,28.0,"Invalid WP multiplicities - A2B3C3D6_mC56_15_f_2e2f_e2f_9f:B-F-Gd-O, expected Gd5B2(O3F)6 to be Gd3B2(O2F)3" +mp-554636,Gd2B(OF)3,-10.0345860489,-3.8783483503,0.0,-0.0645984144,GGA,P2_1/c,AB3C2D3_mP72_14_2e_6e_4e_6e:B-F-Gd-O,72.0,"Invalid WP multiplicities - AB3C2D3_mP72_14_7e_20e_12e_19e:B-F-Gd-O, expected Gd12B7O19F20 to be Gd2B(OF)3" +mp-1203805,Gd4B4O11F2,-10.2502013167,-3.5236018023,0.0329766495,0.0329766495,GGA,C2/c,A4B2C4D11_mC84_15_2f_f_2f_e5f:B-F-Gd-O,42.0,A4B2C4D11_mC84_15_2f_f_2f_e5f:B-F-Gd-O +mp-1181144,K2PtO6,-4.7697343244,-0.5506161598,0.4172222556,0.4172222556,GGA,P-1,A2B6C_aP9_2_i_3i_a:K-O-Pt,9.0,"Invalid WP multiplicities - A2B6C_aP9_2_i_6i_a:K-O-Pt, expected K2PtO12 to be K2PtO6" +mp-1079194,K2PtO6,-4.9209973367,-0.7018791721000001,0.2659592433,0.2659592433,GGA,R-3,A2B6C_hR27_148_c_f_a:K-O-Pt,9.0,A2B6C_hR27_148_c_f_a:K-O-Pt +mp-1080119,K2PtO6,-5.1713785267,-0.9522603621,0.0155780533,0.0155780533,GGA,R-3,A2B6C_hR27_148_c_f_a:K-O-Pt,9.0,A2B6C_hR27_148_c_f_a:K-O-Pt +mp-27566,K3(PtO2)2,-5.2968746072,-1.379072571,0.0,-0.2956714456,GGA,Cmcm,A3B4C2_oC36_63_cf_h_ac:K-O-Pt,18.0,A3B4C2_oC36_63_cf_h_ac:K-O-Pt +mp-1211302,KPt3O4,-5.8528895781,-0.9640703591,0.0357958821,0.0357958821,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:K-O-Pt,16.0,AB4C3_cP16_223_a_e_c:K-O-Pt +mp-974842,KPtO3,-5.359969388,-0.9556497078,0.1254621802,0.1254621802,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Pt,5.0,AB3C_cP5_221_a_c_b:K-O-Pt +mp-1224513,K2PtI5O2,-3.3091374845,-0.7539234458,0.3654131678,0.3654131678,GGA,Cmc2_1,A5B2C2D_oC40_36_3ab_b_b_a:I-K-O-Pt,20.0,"Invalid WP multiplicities - A5B2C2D_oC40_36_4ab_b_b_a:I-K-O-Pt, expected K2Pt(I3O)2 to be K2PtI5O2" +mp-685901,K4Pt2I9,-3.0595020968,-1.0698914583,0.060448609,0.060448609,GGA,Amm2,A9B4C2_oC150_38_a2cde9f_5d5e_c2f:I-K-Pt,75.0,"Invalid WP multiplicities - A9B4C2_oC150_38_a2c2d2e18f_10d10e_c3f:I-K-Pt, expected K40Pt14I85 to be K4Pt2I9" +mp-1224094,K2PtI5,-3.0124360131,-1.0550906426,0.0428108409,0.0428108409,GGA,Cmcm,A5B2C_oC32_63_cef_g_a:I-K-Pt,16.0,A5B2C_oC32_63_cef_g_a:I-K-Pt +mp-1350915,K2Pt(I2O)2,-3.6880889569,-1.0126696196,0.1722295463,0.1722295463,GGA,Pbca,A4B2C2D_oP36_61_2c_c_c_a:I-K-O-Pt,36.0,A4B2C2D_oP36_61_2c_c_c_a:I-K-O-Pt +mp-28247,K2PtI6,-2.9474071011,-1.0438371773,0.0,-0.0226397729,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:I-K-Pt,18.0,"Invalid WP multiplicities - A6B2C_tP18_128_e2h_d_a:I-K-Pt, expected K2PtI10 to be K2PtI6" +mp-1181745,K3B7PtO20,-6.5282410052,-1.5252782058,0.5458973455,0.5458973455,GGA,Pnma,A7B3C20D_oP124_62_3c2d_cd_6c7d_c:B-K-O-Pt,124.0,A7B3C20D_oP124_62_3c2d_cd_6c7d_c:B-K-O-Pt +mp-1183277,BPtO3,-5.839233442,-0.3211151971,1.5070407602,1.5070407602,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Pt,5.0,AB3C_cP5_221_b_c_a:B-O-Pt +mp-23862,BaHI,-3.67879401,-1.4171048983,0.0,-0.0398701947,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ba-H-I,6.0,ABC_tP6_129_c_a_c:Ba-H-I +mp-1214818,Ba2HI2,-2.541774754,-0.5062930290000001,0.9693105768,0.9693105768,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ba-H-I,5.0,A2BC2_tP5_123_g_a_g:Ba-H-I +mp-24510,BaH2I2O7,-5.3315177292,-1.4750193368,0.0141866844,0.0141866844,GGA,C2/c,AB2C2D7_mC48_15_e_f_f_e3f:Ba-H-I-O,24.0,AB2C2D7_mC48_15_e_f_f_e3f:Ba-H-I-O +mp-1018651,Ba2H3I,-3.605200005,-1.0236176108,0.0,-0.0118782613,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Ba-H-I,6.0,A2B3C_hP6_164_d_ad_b:Ba-H-I +mp-766855,BaH9IO5,-5.1540501353,-1.4877801821,0.0095117039,0.0095117039,GGA,P-1,AB9CD5_aP32_2_i_9i_i_5i:Ba-H-I-O,32.0,"Invalid WP multiplicities - AB9CD5_aP32_2_i_17i_i_9i:Ba-H-I-O, expected BaH17IO9 to be BaH9IO5" +mp-24090,BaH4(IO)2,-4.6958844733,-1.5481078908,0.0014177525,0.0014177525,GGA,C2/c,AB4C2D2_mC36_15_e_2f_f_f:Ba-H-I-O,18.0,AB4C2D2_mC36_15_e_2f_f_f:Ba-H-I-O +mp-643384,BaHIO,-5.0759444944,-2.1430054828,0.0,-0.0674175086,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Ba-H-I-O,16.0,ABCD_oP16_62_c_c_c_c:Ba-H-I-O +mp-1204016,BaH8(IO6)2,-5.2290280057,-1.2565158085,0.0221345584,0.0221345584,GGA,C2/c,AB8C2D12_mC92_15_e_4f_f_6f:Ba-H-I-O,46.0,AB8C2D12_mC92_15_e_4f_f_6f:Ba-H-I-O +mp-1227990,BaH3IO6,-5.4170583327,-1.4851809061,0.0151101134,0.0151101134,GGA,P1,AB3CD6_aP11_1_a_3a_a_6a:Ba-H-I-O,11.0,AB3CD6_aP11_1_a_3a_a_6a:Ba-H-I-O +mp-1212285,Ho7C2I12N,-5.0490704341,-1.5694756977000002,0.0,-0.1114615843,GGA,P-1,A2B7C12D_aP44_2_2i_7i_12i_i:C-Ho-I-N,44.0,A2B7C12D_aP44_2_2i_7i_12i_i:C-Ho-I-N +mp-554887,KUNbO6,-9.0264842328,-3.2283457589,0.0,-0.0060977841,GGA,Pnma,ABC6D_oP72_62_d_d_6c3d_2c:K-Nb-O-U,72.0,"Invalid WP multiplicities - ABC6D_oP72_62_d_d_24c22d_4c:K-Nb-O-U, expected KU2NbO34 to be KUNbO6" +mp-1211764,K3Gd(BO3)2,-7.8557345785,-2.8185483377,0.0,-0.0374351127,GGA,Pnma,A2BC3D6_oP48_62_2c_c_cd_4cd:B-Gd-K-O,48.0,A2BC3D6_oP48_62_2c_c_cd_4cd:B-Gd-K-O +mp-1198247,KYb(BH4)4,-4.0943117909,-0.2919849259,0.0353038914,0.0353038914,GGA,Cmcm,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-K-Yb,,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-K-Yb +mp-24348,BiP4HO12,-7.3176784278,-2.4150845535,0.0,-0.0134101873,GGA,P-1,ABC12D4_aP36_2_i_i_12i_4i:Bi-H-O-P,36.0,ABC12D4_aP36_2_i_i_12i_4i:Bi-H-O-P +mp-510007,KPuP2S7,-6.1321976025,-1.1176529335,0.0,-0.0542831148,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:K-P-Pu-S,44.0,AB2CD7_mP44_14_e_2e_e_7e:K-P-Pu-S +mp-510006,K3Pu(PS4)2,-5.5216980496,-1.1276095411,0.115170553,0.115170553,GGA,P2_1/c,A3B2CD8_mP56_14_3e_2e_e_8e:K-P-Pu-S,56.0,A3B2CD8_mP56_14_3e_2e_e_8e:K-P-Pu-S +mp-561454,KAu(SO4)2,-6.0323021146,-1.6797445837,0.0,-0.0509317778,GGA,C2/c,ABC8D2_mC48_15_a_e_4f_f:Au-K-O-S,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_a_e_13f_f:Au-K-O-S, expected KAu(SO13)2 to be KAu(SO4)2" +mp-625407,VHO3,-7.402155868,-1.9388162182,0.0487514067,0.0487514067,GGA+U,P1,AB3C_aP30_1_6a_18a_6a:H-O-V,30.0,AB3C_aP30_1_6a_18a_6a:H-O-V +mp-627119,VHO3,-7.381677612,-1.9183379622,0.0692296627,0.0692296627,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:H-O-V,20.0,AB3C_aP20_1_4a_12a_4a:H-O-V +mp-627684,VHO3,-7.153336496,-1.6899968462,0.2975707787,0.2975707787,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:H-O-V,20.0,AB3C_aP20_1_4a_12a_4a:H-O-V +mp-1178894,VHO3,-7.3869143075,-1.9235746578,0.0639929672,0.0639929672,GGA+U,P1,AB3C_aP20_1_4a_12a_4a:H-O-V,20.0,AB3C_aP20_1_4a_12a_4a:H-O-V +mp-625246,VHO3,-7.4023574973,-1.9390178476,0.0485497774,0.0485497774,GGA+U,P2_1,AB3C_mP30_4_3a_9a_3a:H-O-V,30.0,"Invalid WP multiplicities - AB3C_mP30_4_5a_9a_3a:H-O-V, expected V3H5O9 to be VHO3" +mp-625258,VHO3,-7.4260410353,-1.9627013856,0.0248662394,0.0248662394,GGA+U,P2_1,AB3C_mP30_4_3a_9a_3a:H-O-V,30.0,"Invalid WP multiplicities - AB3C_mP30_4_6a_9a_3a:H-O-V, expected VH2O3 to be VHO3" +mp-627209,VHO3,-7.308086718,-1.8447470682,0.1428205567,0.1428205567,GGA+U,Cm,AB3C_mC40_8_4a_12a_4a:H-O-V,20.0,AB3C_mC40_8_4a_12a_4a:H-O-V +mp-1178874,VHO3,-7.4287773677,-1.9654377179,0.0221299071,0.0221299071,GGA+U,P2_1/m,AB3C_mP30_11_ef_3e3f_ef:H-O-V,30.0,"Invalid WP multiplicities - AB3C_mP30_11_2e3f_3e3f_ef:H-O-V, expected V3H8O9 to be VHO3" +mp-626913,V3(HO4)2,-7.6736377254,-2.0112777262,0.0901874994,0.0901874994,GGA+U,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:H-O-V,52.0,A2B8C3_mP52_14_2e_8e_3e:H-O-V +mp-626872,V3(HO4)2,-7.7046370694,-2.0422770702,0.0591881554,0.0591881554,GGA+U,P2_1/c,A2B8C3_mP52_14_2e_8e_3e:H-O-V,52.0,A2B8C3_mP52_14_2e_8e_3e:H-O-V +mp-626879,V3(HO4)2,-7.6855494721,-2.0231894729,0.0782757527,0.0782757527,GGA+U,Pna2_1,A2B8C3_oP52_33_2a_8a_3a:H-O-V,52.0,A2B8C3_oP52_33_2a_8a_3a:H-O-V +mp-768727,Ti4VO8,-9.2787659285,-3.1065056341,0.1281686723,0.1281686723,GGA+U,C2/m,A8B4C_mC26_12_2ij_bcf_a:O-Ti-V,13.0,"Invalid WP multiplicities - A8B4C_mC26_12_3i2j_bce_a:O-Ti-V, expected Ti4VO14 to be Ti4VO8" +mp-698211,Ti3V2O9,-9.0073083443,-2.8377021592,0.3193643837,0.3193643837,GGA+U,C2/c,A9B3C2_mC56_15_e4f_af_f:O-Ti-V,28.0,A9B3C2_mC56_15_e4f_cf_f:O-Ti-V +mp-1179324,Ti3V2O9,-9.0852136289,-2.9156074438,0.241459099,0.241459099,GGA+U,C2/c,A9B3C2_mC56_15_e4f_af_f:O-Ti-V,28.0,A9B3C2_mC56_15_e4f_cf_f:O-Ti-V +mp-1195787,Ti2VHO6,-8.702096747,-2.9073219054,0.0261729482,0.0261729482,GGA+U,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:H-O-Ti-V,40.0,AB6C2D_mP40_14_e_6e_2e_e:H-O-Ti-V +mp-626791,VHO2,-7.6683305369,-2.0758281525,0.0041796063,-0.0104884764,GGA+U,Pmc2_1,AB2C_oP16_26_ab_2a2b_ab:H-O-V,16.0,AB2C_oP16_62_c_2c_c:H-O-V +mp-626787,VHO2,-7.6725101431,-2.0800077588,0.0,-0.0146680827,GGA+U,Pnma,AB2C_oP16_62_c_2c_c:H-O-V,16.0,AB2C_oP16_62_c_2c_c:H-O-V +mp-625381,V2H3O5,-7.271299064,-1.9633556809,0.0,-0.002399203,GGA+U,Cm,A3B5C2_mC20_8_3a_5a_2a:H-O-V,10.0,A3B5C2_mC20_8_3a_5a_2a:H-O-V +mp-1317675,TiV3O8,-8.9385472575,-2.7118205978,0.0246438854,0.0246438854,GGA+U,P1,A8BC3_aP24_1_16a_2a_6a:O-Ti-V,24.0,A8BC3_aP24_1_16a_2a_6a:O-Ti-V +mp-755715,TiV3O8,-8.9339984117,-2.7072717519,0.0291927313,0.0291927313,GGA+U,Cm,A8BC3_mC24_8_8a_a_3a:O-Ti-V,12.0,A8BC3_mC24_8_8a_a_3a:O-Ti-V +mp-1301440,TiV3O8,-8.9379979829,-2.7112713232,0.02519316,0.02519316,GGA+U,Cc,A8BC3_mC48_9_8a_a_3a:O-Ti-V,24.0,"Invalid WP multiplicities - A8BC3_mC48_9_8a_a_6a:O-Ti-V, expected TiV6O8 to be TiV3O8" +mp-1314855,TiV3O8,-8.9378754775,-2.7111488178,0.0253156654,0.0253156654,GGA+U,Cc,A8BC3_mC48_9_8a_a_3a:O-Ti-V,24.0,"Invalid WP multiplicities - A8BC3_mC48_9_8a_a_4a:O-Ti-V, expected TiV4O8 to be TiV3O8" +mp-626121,V3H5O8,-7.0994741719,-1.8626705391,0.0700226205,0.0700226205,GGA+U,P1,A5B8C3_aP16_1_5a_8a_3a:H-O-V,16.0,A5B8C3_aP16_1_5a_8a_3a:H-O-V +mp-626080,V3H5O8,-7.1598911944,-1.9230875616,0.009605598,0.009605598,GGA+U,Cm,A5B8C3_mC32_8_5a_8a_3a:H-O-V,16.0,A5B8C3_mC32_8_5a_8a_3a:H-O-V +mp-27545,VH2O3,-6.9789911483,-1.860753766,0.0208351912,0.0208351912,GGA+U,C2/c,A2B3C_mC24_15_f_ef_e:H-O-V,12.0,"Invalid WP multiplicities - A2B3C_mC24_15_f_2e2f_e:H-O-V, expected V(HO3)2 to be VH2O3" +mp-32493,V(HO)2,-6.705036842,-1.5524897255,0.1251181214,0.1251181214,GGA+U,Pnnm,A2B2C_oP10_58_g_g_a:H-O-V,10.0,A2B2C_oP10_58_g_g_a:H-O-V +mp-2215221,Ti3V5O16,-8.9325905458,-2.7553811383,0.1087536394,0.1087536394,GGA+U,P1,A16B3C5_aP24_1_16a_3a_5a:O-Ti-V,24.0,A16B3C5_aP24_1_16a_3a_5a:O-Ti-V +mp-776195,Ti3V5O16,-8.9333655837,-2.7561561762,0.1079786015,0.1079786015,GGA+U,Cm,A16B3C5_mC48_8_8a4b_ab_3ab:O-Ti-V,24.0,"Invalid WP multiplicities - A16B3C5_mC48_8_8a6b_ab_3ab:O-Ti-V, expected Ti3V5O20 to be Ti3V5O16" +mp-1216687,TiVH4,-5.5445827233,-0.4528656789,0.00992102,0.00992102,GGA,R-3m,A4BC_hR18_166_2c_a_b:H-Ti-V,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:H-Ti-V, expected TiVH6 to be TiVH4" +mp-626489,V2HO4,-8.13544299,-2.2286868429,0.0232278311,0.0232278311,GGA+U,Pm,AB4C2_mP7_6_a_2a2b_ab:H-O-V,14.0,"Invalid WP multiplicities - AB4C2_mP7_6_a_2a2b_a2b:H-O-V, expected V3HO4 to be V2HO4" +mp-752445,TiV2O7,-8.7615947285,-2.692582215,0.0,-0.038884921,GGA+U,Pa-3,A7BC2_cP40_205_ad_b_c:O-Ti-V,40.0,"Invalid WP multiplicities - A7BC2_cP40_205_2a2d_b_c:O-Ti-V, expected TiV2O14 to be TiV2O7" +mp-625870,V3(HO2)4,-7.1453450967,-1.785602958,0.2158929867,0.2158929867,GGA+U,Cm,A4B8C3_mC30_8_4a_8a_3a:H-O-V,15.0,A4B8C3_mC30_8_4a_8a_3a:H-O-V +mp-1179229,V3(HO2)4,-6.934677662,-1.5749355233,0.4265604213,0.4265604213,GGA+U,Cm,A4B8C3_mC30_8_4a_8a_3a:H-O-V,15.0,A4B8C3_mC30_8_4a_8a_3a:H-O-V +mp-625811,V3(HO2)4,-7.1099930533,-1.7502509147,0.25124503,0.25124503,GGA+U,C2/m,A4B8C3_mC30_12_2i_4i_ai:H-O-V,15.0,A4B8C3_mC30_12_2i_4i_ai:H-O-V +mp-1179276,V3(HO2)4,-6.89277923,-1.5330370913,0.4684588533,0.4684588533,GGA+U,C2/m,A4B8C3_mC30_12_2i_4i_ai:H-O-V,15.0,A4B8C3_mC30_12_2i_4i_ai:H-O-V +mp-627606,V3(H3O5)2,-6.8811227545,-1.7719142496,0.0707895428,0.0707895428,GGA+U,P1,A6B10C3_aP38_1_12a_20a_6a:H-O-V,38.0,A6B10C3_aP38_1_12a_20a_6a:H-O-V +mp-1179176,V3(H3O5)2,-6.9072548995,-1.7980463946,0.0446573978,0.0446573978,GGA+U,P1,A6B10C3_aP38_1_12a_20a_6a:H-O-V,38.0,A6B10C3_aP38_1_12a_20a_6a:H-O-V +mp-1179245,V3(H3O5)2,-6.9008459047,-1.7916373999,0.0510663925,0.0510663925,GGA+U,P1,A6B10C3_aP38_1_12a_20a_6a:H-O-V,38.0,A6B10C3_aP38_1_12a_20a_6a:H-O-V +mp-1179270,V3(H3O5)2,-6.9001153426,-1.7909068378000002,0.0517969546,0.0517969546,GGA+U,P1,A6B10C3_aP38_1_12a_20a_6a:H-O-V,38.0,A6B10C3_aP38_1_12a_20a_6a:H-O-V +mp-627291,V3(H3O5)2,-6.8807312992,-1.7715227943,0.071180998,0.071180998,GGA+U,Pc,A6B10C3_mP38_7_6a_10a_3a:H-O-V,38.0,"Invalid WP multiplicities - A6B10C3_mP38_7_12a_17a_5a:H-O-V, expected V5H12O17 to be V3(H3O5)2" +mp-627344,V3(H3O5)2,-6.8493196466,-1.7401111417,0.1025926507,0.1025926507,GGA+U,Pc,A6B10C3_mP38_7_6a_10a_3a:H-O-V,38.0,"Invalid WP multiplicities - A6B10C3_mP38_7_10a_17a_5a:H-O-V, expected V5H10O17 to be V3(H3O5)2" +mp-1195972,V3(H3O5)2,-6.9026551545,-1.7934466496,0.0492571428,0.0492571428,GGA+U,P4bm,A6B10C3_tP38_100_cd_ab2cd_ac:H-O-V,38.0,A6B10C3_tP38_100_cd_ab2cd_ac:H-O-V +mp-760220,TiV15O24,-9.1495535102,-2.5776882068,0.0158304935,0.0158304935,GGA+U,P1,A24BC15_aP40_1_24a_a_15a:O-Ti-V,40.0,A24BC15_aP40_1_24a_a_15a:O-Ti-V +mp-1274758,TiVO4,-9.0941145138,-2.9664223585,0.0253827138,0.0253827138,GGA+U,P1,A4BC_aP24_1_16a_4a_4a:O-Ti-V,24.0,A4BC_aP24_1_16a_4a_4a:O-Ti-V +mp-1280499,TiVO4,-9.0931367929,-2.9654446376,0.0263604346,0.0263604346,GGA+U,Pm,A4BC_mP24_6_8a8b_2a2b_2a2b:O-Ti-V,24.0,A4BC_mP24_6_8a8b_2a2b_2a2b:O-Ti-V +mp-1272170,TiVO4,-9.0933152638,-2.9656231085,0.0261819638,0.0261819638,GGA+U,Cm,A4BC_mC12_8_4a_a_a:O-Ti-V,24.0,A4BC_mC12_8_4a_a_a:O-Ti-V +mp-1191211,TiVO4,-9.0663985613,-2.938706406,0.0530986662,0.0530986662,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:O-Ti-V,24.0,A4BC_mP24_14_4e_e_e:O-Ti-V +mp-1276433,TiVO4,-9.0968263971,-2.9691342418,0.0226708304,0.0226708304,GGA+U,C222_1,A4BC_oC24_20_2ac_b_a:O-Ti-V,24.0,"Invalid WP multiplicities - A4BC_oC24_20_4ac_b_a:O-Ti-V, expected TiVO6 to be TiVO4" +mp-1275288,TiVO4,-9.0922622317,-2.9645700764000003,0.0272349958,0.0272349958,GGA+U,Pmn2_1,A4BC_oP12_31_4a_a_a:O-Ti-V,24.0,A4BC_oP12_31_4a_a_a:O-Ti-V +mp-2224111,TiVO4,-9.0838213917,-2.9561292364,0.0356758358,0.0356758358,GGA+U,Imm2,A4BC_oI12_44_2a2b_a_b:O-Ti-V,6.0,A4BC_oI12_44_2a2b_a_b:O-Ti-V +mp-690490,TiVO4,-9.0865783042,-2.9588861489,0.0329189233,0.0329189233,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Ti-V,24.0,A4BC_oC12_65_gj_a_c:O-Ti-V +mp-761341,TiVO4,-9.0892504479,-2.9615582926,0.0302467796,0.0302467796,GGA+U,I4_1md,A4BC_tI24_109_2b_a_a:O-Ti-V,24.0,A4BC_tI24_109_2b_a_a:O-Ti-V +mp-755748,TiVO4,-9.0777676342,-2.9500754789,0.0417295933,0.0417295933,GGA+U,I-4m2,A4BC_tI12_119_ef_a_c:O-Ti-V,12.0,A4BC_tI12_119_ef_a_c:O-Ti-V +mp-1279004,TiVO4,-9.0536200167,-2.9259278614,0.0658772108,0.0658772108,GGA+U,I-42d,A4BC_tI48_122_2ce_d_ab:O-Ti-V,24.0,"Invalid WP multiplicities - A4BC_tI48_122_6ce_d_ab:O-Ti-V, expected TiVO8 to be TiVO4" +mp-753428,TiVO3,-9.3057165345,-2.9418236904,0.0591484255,0.0047717496,GGA+U,P1,A3BC_aP20_1_12a_4a_4a:O-Ti-V,20.0,A3BC_aP20_1_12a_4a_4a:O-Ti-V +mp-755657,TiVO3,-9.36486496,-3.0009721159,0.0,-0.0543766759,GGA+U,R-3,A3BC_hR30_148_f_c_c:O-Ti-V,10.0,A3BC_hR30_148_f_c_c:O-Ti-V +mp-1216763,TiVO3,-9.345430298,-2.9815374539,0.019434662,-0.0349420139,GGA+U,R3c,A3BC_hR30_161_b_a_a:O-Ti-V,10.0,A3BC_hR30_161_b_a_a:O-Ti-V +mp-756455,Ti3VO8,-9.1614143925,-3.1327567417,0.1143889196,0.1143889196,GGA+U,P6_3mc,A8B3C_hP24_186_ab2c_c_b:O-Ti-V,24.0,"Invalid WP multiplicities - A8B3C_hP24_186_a2b9c_c_b:O-Ti-V, expected Ti3VO30 to be Ti3VO8" +mp-1079538,V2H2O5,-7.5746099333,-2.0538646238,0.0275693125,0.0275693125,GGA+U,C2/m,A2B5C2_mC18_12_i_a2i_i:H-O-V,9.0,A2B5C2_mC18_12_i_a2i_i:H-O-V +mp-765586,Ti15VO24,-9.418498297,-3.2625779122,0.004941122,0.004941122,GGA+U,P1,A24B15C_aP40_1_24a_15a_a:O-Ti-V,40.0,A24B15C_aP40_1_24a_15a_a:O-Ti-V +mp-626559,V6H4O13,-7.8428546517,-2.0871462236,0.0991017282,0.0991017282,GGA+U,C2,A4B13C6_mC46_5_2c_a6c_3c:H-O-V,23.0,A4B13C6_mC46_5_2c_a6c_3c:H-O-V +mp-626561,V6H4O13,-7.8627519143,-2.1070434863,0.0792044655,0.0792044655,GGA+U,Cm,A4B13C6_mC46_8_4a_13a_6a:H-O-V,23.0,A4B13C6_mC46_8_4a_13a_6a:H-O-V +mp-626549,V6H4O13,-7.8576508348,-2.1019424067,0.0843055451,0.0843055451,GGA+U,C2/m,A4B13C6_mC46_12_2i_a6i_3i:H-O-V,23.0,A4B13C6_mC46_12_2i_a6i_3i:H-O-V +mp-1216479,VH3O4,-6.4468301441,-1.5657252628,0.1572747605,0.1572747605,GGA+U,I4_1md,A3B4C_tI64_109_2ac_2abc_b:H-O-V,32.0,"Invalid WP multiplicities - A3B4C_tI64_109_4a3c_4ab3c_b:H-O-V, expected VH8O9 to be VH3O4" +mp-558051,Pr3BWO9,-8.9228596614,-3.3156855424,0.0,-0.035287417,GGA+U,P6_3,AB9C3D_hP28_173_a_3c_c_b:B-O-Pr-W,28.0,"Invalid WP multiplicities - AB9C3D_hP28_173_a_14c_c_b:B-O-Pr-W, expected Pr3BWO42 to be Pr3BWO9" +mp-1080695,KNp(CO3)2,-8.231728125,-2.0121639369,0.3676450822,0.3676450822,GGA,C2/m,A2BCD6_mC20_12_i_c_b_g2i:C-K-Np-O,10.0,A2BCD6_mC20_12_i_c_b_g2i:C-K-Np-O +mp-1104025,Np(CO2)4,-8.1725486592,-1.2928600945,0.7640054833000001,0.7640054833000001,GGA,I-4,A4BC8_tI26_82_g_a_2g:C-Np-O,13.0,A4BC8_tI26_82_g_a_2g:C-Np-O +mp-1191563,NpCO4,-9.3273376287,-2.333470959,0.3527271946,0.3527271946,GGA,P4_1,ABC4_tP24_76_a_a_4a:C-Np-O,24.0,ABC4_tP24_76_a_a_4a:C-Np-O +mp-1195526,SrU(PS4)2,-5.966862749,-1.2252704647,0.0,-0.0019634095,GGA,P4_2/mbc,A2B8CD_tP48_135_h_2hi_d_b:P-S-Sr-U,48.0,A2B8CD_tP48_135_h_2hi_d_b:P-S-Sr-U +mp-626229,H4SO5,-5.6974895902,-1.4534098299,0.0251347495,0.017100259,GGA,P1,A4B5C_aP40_1_16a_20a_4a:H-O-S,40.0,A4B5C_aP40_1_16a_20a_4a:H-O-S +mp-626172,H4SO5,-5.709288287,-1.4652085267,0.0133360527,0.0053015622,GGA,P1,A4B5C_aP40_1_16a_20a_4a:H-O-S,40.0,A4B5C_aP40_1_16a_20a_4a:H-O-S +mp-626483,H4SO5,-5.7020680563,-1.4579882959,0.0205562835,0.012521793,GGA,Pc,A4B5C_mP40_7_8a_10a_2a:H-O-S,40.0,"Invalid WP multiplicities - A4B5C_mP40_7_13a_15a_3a:H-O-S, expected H13(SO5)3 to be H4SO5" +mp-626448,H4SO5,-5.7226243398,-1.4785445794,0.0,-0.0080344905,GGA,Pc,A4B5C_mP40_7_8a_10a_2a:H-O-S,40.0,A4B5C_mP40_7_12a_15a_3a:H-O-S +mp-626486,H4SO5,-5.6718553668,-1.4277756064,0.050768973,0.0427344825,GGA,P2_1/c,A4B5C_mP40_14_4e_5e_e:H-O-S,40.0,"Invalid WP multiplicities - A4B5C_mP40_14_11e_5e_e:H-O-S, expected H11SO5 to be H4SO5" +mp-1181245,H4SO5,-5.7120797535,-1.4679999932,0.0105445862,0.0025100957,GGA,P2_12_12_1,A4B5C_oP40_19_4a_5a_a:H-O-S,40.0,A4B5C_oP40_19_4a_5a_a:H-O-S +mp-625475,H2SO4,-5.9227527464000005,-1.5358017747,0.0,-0.0287246911,GGA,C2,A2B4C_mC28_5_2c_4c_ab:H-O-S,14.0,A2B4C_mC28_5_2c_4c_ab:H-O-S +mp-625445,H2SO4,-5.8924029007000005,-1.505451929,0.0303498457,0.0016251546,GGA,Cc,A2B4C_mC28_9_2a_4a_a:H-O-S,14.0,"Invalid WP multiplicities - A2B4C_mC28_9_2a_6a_a:H-O-S, expected H2SO6 to be H2SO4" +mp-625474,H2SO4,-5.8663207593,-1.4793697876,0.0564319871,0.027707296,GGA,Cc,A2B4C_mC28_9_2a_4a_a:H-O-S,14.0,"Invalid WP multiplicities - A2B4C_mC28_9_2a_6a_a:H-O-S, expected H2SO6 to be H2SO4" +mp-24172,H2SO4,-5.9191192429,-1.5321682712,0.0036335036,-0.0250911876,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:H-O-S,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_2e_7e_e:H-O-S, expected H2SO7 to be H2SO4" +mp-690733,H2SO4,-5.9222877464,-1.5353367747000002,0.0004649999999999,-0.0282596911,GGA,C2/c,A2B4C_mC28_15_f_2f_e:H-O-S,14.0,A2B4C_mC28_15_f_2f_e:H-O-S +mp-1198446,TmHSO5,-7.1412161661,-2.5489093047,0.0145724167,0.0145724167,GGA,P2_1/c,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Tm,64.0,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Tm +mp-24118,H10SO8,-5.4845150682,-1.3983455941,0.0,-0.0065243142,GGA,P-42_1c,A10B8C_tP38_114_d2e_2e_a:H-O-S,38.0,A10B8C_tP38_114_d2e_2e_a:H-O-S +mp-1201903,Tm2H16S3O20,-6.1007265654,-1.8427165314,0.0180117114,0.0180117114,GGA,C2/c,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Tm,82.0,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Tm +mp-708089,H30S2O21,-5.1087102753,-1.072198124,0.294105857,0.294105857,GGA,Cm,A30B21C2_mC106_8_2a14b_3a9b_b:H-O-S,53.0,A30B21C2_mC106_8_2a14b_3a9b_b:H-O-S +mp-31374,H30S2O21,-5.3944414406,-1.3579292892,0.0083746917,0.0083746917,GGA,Cm,A30B21C2_mC106_8_2a14b_3a9b_b:H-O-S,53.0,"Invalid WP multiplicities - A30B21C2_mC106_8_2a15b_3a9b_b:H-O-S, expected H32S2O21 to be H30S2O21" +mp-31373,H18SO12,-5.3727720074,-1.3545209361,0.0,-0.001191435,GGA,Cc,A18B12C_mC124_9_18a_12a_a:H-O-S,62.0,A18B12C_mC124_9_18a_12a_a:H-O-S +mp-707293,H2S2O7,-5.9397655718,-1.4229316807,0.128363392,0.128363392,GGA,C2/c,A2B7C2_mC176_15_4f_2e13f_4f:H-O-S,88.0,A2B7C2_mC176_15_4f_2e13f_4f:H-O-S +mp-1197484,H2SO5,-5.763986068,-1.3070678788,0.0367586741,0.0367586741,GGA,Pbca,A2B5C_oP64_61_2c_5c_c:H-O-S,64.0,A2B5C_oP64_61_2c_5c_c:H-O-S +mp-558607,K3BSb4O13,-6.448273855,-2.1228668637,0.0,-0.0013698411,GGA,P-1,AB3C13D4_aP42_2_i_3i_13i_4i:B-K-O-Sb,42.0,"Invalid WP multiplicities - AB3C13D4_aP42_2_i_6i_26i_7i:B-K-O-Sb, expected K6BSb7O26 to be K3BSb4O13" +mp-1105367,KB2SbO6,-7.293924141,-2.4660925414,0.0040424401,0.0040424401,GGA,Cc,A2BC6D_mC40_9_2a_a_6a_a:B-K-O-Sb,20.0,A2BC6D_mC40_9_2a_a_6a_a:B-K-O-Sb +mp-1194515,U2Cu(SO11)2,-6.2100931185,-0.8848309677,0.8146444140000001,0.8146444140000001,GGA,P-1,AB22C2D2_aP27_2_a_11i_i_i:Cu-O-S-U,27.0,AB22C2D2_aP27_2_a_11i_i_i:Cu-O-S-U +mp-1200043,U4Cu3(SO17)2,-6.8666485014,-1.4265653394,0.4097222304,0.4097222304,GGA,P-1,A3B34C2D4_aP43_2_ai_17i_i_2i:Cu-O-S-U,43.0,A3B34C2D4_aP43_2_ai_17i_i_2i:Cu-O-S-U +mp-1197534,CaB2H13N3,-4.9223792367,-0.4760999324,0.0548583386,0.0548583386,GGA,P2_1/c,A2BC13D3_mP76_14_2e_e_13e_3e:B-Ca-H-N,76.0,A2BC13D3_mP76_14_2e_e_13e_3e:B-Ca-H-N +mp-1106103,CaB2H,-4.3405870562,0.3486903104,0.8457579106,0.8457579106,GGA,Pnma,A2BC_oP16_62_2c_c_c:B-Ca-H,16.0,A2BC_oP16_62_2c_c_c:B-Ca-H +mp-1188483,Ca(BH)2,-4.5705762455,-0.1406091432,0.3829725388,0.3829725388,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:B-Ca-H,20.0,A2BC2_mP20_14_2e_e_2e:B-Ca-H +mp-1078932,Ca(BH)2,-4.746607973,-0.3166408707,0.2069408113,0.2069408113,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:B-Ca-H,10.0,A2BC2_oC20_36_2a_a_2a:B-Ca-H +mp-580797,Ca(BH)2,-4.237729473,0.1922376293,0.7158193113,0.7158193113,GGA,Pnma,A2BC2_oP20_62_2c_c_ac:B-Ca-H,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_5c_c_3a3c:B-Ca-H, expected CaB5H6 to be Ca(BH)2" +mp-1181857,Ca(BH)2,-4.3500847915,0.0798823108,0.6034639928000001,0.6034639928000001,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:B-Ca-H,20.0,A2BC2_oP20_62_2c_c_2c:B-Ca-H +mp-1181941,Ca(BH)2,-4.183705897,0.2462612053,0.7698428873000001,0.7698428873000001,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:B-Ca-H,20.0,A2BC2_oP20_62_2c_c_2c:B-Ca-H +mp-1017549,Ca(BH)2,-4.687200584,-0.2572334817,0.2663482003,0.2663482003,GGA,P-3m1,A2BC2_hP5_164_d_a_d:B-Ca-H,5.0,A2BC2_hP5_164_d_a_d:B-Ca-H +mp-1192682,Ca(BH2)2,-4.3281628246,-0.1945503101,0.3136419901,0.3136419901,GGA,Pm,A2BC4_mP28_6_4a4b_2a2b_6a6b2c:B-Ca-H,28.0,A2BC4_mP28_6_4a4b_2a2b_6a6b2c:B-Ca-H +mp-1214284,Ca(BH2)2,-4.3472005546,-0.2135880401,0.2946042601,0.2946042601,GGA,Fddd,A2BC4_oF112_70_h_c_2h:B-Ca-H,28.0,A2BC4_oF112_70_h_c_2h:B-Ca-H +mp-1103502,CaB2(H5N)2,-4.8741041027000005,-0.4764618546,0.0833702364,0.0833702364,GGA,C2,A2BC10D2_mC30_5_c_a_5c_c:B-Ca-H-N,15.0,A2BC10D2_mC30_5_c_a_5c_c:B-Ca-H-N +mp-1191424,Ca(BH4)2,-3.5362574545000003,0.3279417983,0.8080310850000001,0.6382790496,GGA,C2/c,A2BC8_mC44_15_f_e_4f:B-Ca-H,22.0,A2BC8_mC44_15_f_e_4f:B-Ca-H +mp-1237277,Ca(BH4)2,-4.3400173109,-0.475818058,0.0042712286,-0.1654808067,GGA,C2/c,A2BC8_mC44_15_f_e_4f:B-Ca-H,22.0,A2BC8_mC44_15_f_e_4f:B-Ca-H +mp-1191021,Ca(BH4)2,-4.3406265609,-0.476427308,0.0036619786,-0.1660900567,GGA,Fdd2,A2BC8_oF88_43_b_a_4b:B-Ca-H,22.0,A2BC8_oF88_43_b_a_4b:B-Ca-H +mp-966591,Ca(BH4)2,-4.3364968293,-0.4722975764,0.0077917102,-0.1619603252,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:B-Ca-H,88.0,"Invalid WP multiplicities - A2BC8_oP88_61_4c_c_8c:B-Ca-H, expected Ca(BH2)4 to be Ca(BH4)2" +mp-570194,Ca(BH4)2,-4.3321868716,-0.4679876187,0.012101668,-0.1576503674,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:B-Ca-H,88.0,"Invalid WP multiplicities - A2BC8_oP88_61_10c_c_53c:B-Ca-H, expected CaB10H53 to be Ca(BH4)2" +mp-1182609,Ca(BH4)2,-4.3246247286,-0.4604254758,0.0196638109,-0.1500882245,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:B-Ca-H,88.0,A2BC8_oP88_61_2c_c_8c:B-Ca-H +mp-1190619,Ca(BH4)2,-4.3442885395,-0.4800892867,0.0,-0.1697520354,GGA,Fddd,A2BC8_oF88_70_e_a_2h:B-Ca-H,22.0,A2BC8_oF88_70_e_a_2h:B-Ca-H +mp-984766,Ca(BH4)2,-4.3318152468,-0.4676159939,0.0124732927,-0.1572787427,GGA,P4_2,A2BC8_tP22_77_d_c_4d:B-Ca-H,22.0,"Invalid WP multiplicities - A2BC8_tP22_77_d_c_8d:B-Ca-H, expected Ca(BH8)2 to be Ca(BH4)2" +mp-1191012,Ca(BH4)2,-4.3333311236,-0.4691318708,0.0109574159,-0.1587946195,GGA,P-4,A2BC8_tP22_81_h_g_4h:B-Ca-H,22.0,A2BC8_tP22_81_h_g_4h:B-Ca-H +mp-1181812,Ca(BH4)2,-4.3333555814,-0.4691563285,0.0109329582,-0.1588190772,GGA,P4_2/m,A2BC8_tP22_84_j_c_2jk:B-Ca-H,22.0,A2BC8_tP22_84_j_c_2jk:B-Ca-H +mp-1191340,Ca(BH4)2,-4.3255703177,-0.4613710648,0.0187182218,-0.1510338136,GGA,I-42d,A2BC8_tI44_122_c_a_2e:B-Ca-H,22.0,A2BC8_tI44_122_c_a_2e:B-Ca-H +mp-24266,Ca2BHN2,-6.3152321342,-1.1891808965,0.0,-0.0178266637,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_2c:B-Ca-H-N,24.0,AB2CD2_oP24_62_c_2c_c_2c:B-Ca-H-N +mp-1201177,CaB4(H10N)2,-4.531825423,-0.337355878,0.0747367987,0.0747367987,GGA,Aea2,A4BC20D2_oC108_41_2b_a_10b_b:B-Ca-H-N,54.0,A4BC20D2_oC108_41_2b_a_10b_b:B-Ca-H-N +mp-1191384,CaB2H3,-4.4604065004,-0.2033129076,0.3125852961,0.3125852961,GGA,P2_1/c,A2BC3_mP24_14_2e_e_3e:B-Ca-H,24.0,A2BC3_mP24_14_2e_e_3e:B-Ca-H +mp-1190960,CaB2H3,-4.3108745996,-0.0537810068,0.4621171969,0.4621171969,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:B-Ca-H,24.0,A2BC3_oP24_62_2c_c_3c:B-Ca-H +mp-866308,CaB2(H7N)2,-4.5948737182,-0.408792776,0.0471247884,0.0471247884,GGA,Pbcn,A2BC14D2_oP76_60_d_c_7d_d:B-Ca-H-N,76.0,A2BC14D2_oP76_60_d_c_7d_d:B-Ca-H-N +mp-1196257,Ca(BH)12,-5.3297195842,-0.4148790374,0.0,-0.1404180109,GGA,C2/c,A12BC12_mC100_15_6f_e_6f:B-Ca-H,50.0,A12BC12_mC100_15_6f_e_6f:B-Ca-H +mp-1201710,WS2O9,-7.2794892144,-1.800220184,0.0,-0.0173430123,GGA+U,P2_1/c,A9B2C_mP48_14_9e_2e_e:O-S-W,48.0,A9B2C_mP48_14_9e_2e_e:O-S-W +mp-850781,W(SO4)2,-7.3551913448,-1.8275059217,0.0,-0.0316800651,GGA+U,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-W,88.0,"Invalid WP multiplicities - A8B2C_oP88_61_29c_5c_c:O-S-W, expected WS5O29 to be W(SO4)2" +mp-1209727,Yb2W8(SO4)3,-7.3035130496,-0.1629581482,1.8481212264,1.8481212264,GGA+U,C2/c,A12B3C8D2_mC100_15_6f_ef_4f_f:O-S-W-Yb,,A12B3C8D2_mC100_15_6f_ef_4f_f:O-S-W-Yb +mp-1215148,Ce2W4S3O14,-7.7539708646,-1.433897352,1.0144465952,1.0144465952,GGA+U,C2/c,A2B14C3D4_mC92_15_f_7f_ef_2f:Ce-O-S-W,46.0,A2B14C3D4_mC92_15_f_7f_ef_2f:Ce-O-S-W +mp-1110826,K2NaYI6,-3.504979882,-1.6199806419,0.063173375,0.063173375,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Y +mp-1110947,K2YAgI6,-3.437678518,-1.4016762069,0.083658615,0.083658615,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Y +mp-1112056,K2YAuI6,-3.387212832,-1.3070779213,0.1388527162,0.1388527162,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-I-K-Y +mp-554129,Br3N(O2F5)2,-4.0017779163,-1.1186043365,0.0,-0.0453356507,GGA,P2_12_12,A3B10CD4_oP72_18_ab2c_2a9c_c_4c:Br-F-N-O,72.0,"Invalid WP multiplicities - A3B10CD4_oP72_18_2ab4c_4a36c_c_14c:Br-F-N-O, expected Br11N2(O7F19)4 to be Br3N(O2F5)2" +mp-555071,BrN(OF2)2,-4.4450269672000005,-1.0164248987,0.0606555034,0.0606555034,GGA,Pnma,AB4CD2_oP32_62_c_2d_c_2c:Br-F-N-O,32.0,"Invalid WP multiplicities - AB4CD2_oP32_62_c_7d_c_5c:Br-F-N-O, expected BrNO5F14 to be BrN(OF2)2" +mp-1214342,BrN2O5F3,-5.0061084709,-0.5793904128,0.3017814226,0.3017814226,GGA,C2/c,AB3C2D5_mC88_15_2e_3f_2f_2e4f:Br-F-N-O,44.0,AB3C2D5_mC88_15_2e_3f_2f_2e4f:Br-F-N-O +mp-560851,CsIOF4,-4.3150707046,-2.1777316613,0.0,-0.1385928603,GGA,Pnma,AB4CD_oP28_62_c_2d_c_c:Cs-F-I-O,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_c_12d_c_c:Cs-F-I-O, expected CsIOF24 to be CsIOF4" +mp-1206410,Pb2IOF,-4.890538212,-1.7391725782,0.0,-0.0264286167,GGA,Cmme,ABCD2_oC20_67_a_g_b_m:F-I-O-Pb,10.0,ABCD2_oC20_67_a_g_b_m:F-I-O-Pb +mp-1179287,TeINO10,-5.0878693108,-0.2863266738,0.5084365374,0.5084365374,GGA,P-1,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te,26.0,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te +mp-1194196,TeINO10,-5.09029328,-0.288750643,0.5060125682000001,0.5060125682000001,GGA,P-1,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te,26.0,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te +mp-726119,TeINO10,-4.9982029142,-0.1966602772,0.5981029339,0.5981029339,GGA,P-1,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te,26.0,ABC10D_aP26_2_i_i_10i_i:I-N-O-Te +mp-725133,Te(I3N)2,-2.3230454717,0.8610093998,1.1957823375,1.1957823375,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:I-N-Te,18.0,A6B2C_mP18_14_3e_e_a:I-N-Te +mp-863708,KPuO3,-9.06460062,-3.0209399379,1.7394e-05,1.7394e-05,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Pu,5.0,AB3C_cP5_221_a_c_b:K-O-Pu +mp-862794,K2Pu2O5,-9.0637843956,-2.8982379389,0.0,-0.0030618499,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:K-O-Pu,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:K-O-Pu, expected K2Pu2O9 to be K2Pu2O5" +mp-1025158,K2PuO4,-7.93330349,-2.7511047659,0.0,-0.2229818421,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:K-O-Pu,7.0,A2B4C_tI14_139_e_ce_a:K-O-Pu +mp-554651,K3Pu(H3O4)2,-6.2186448828,-1.9114837088,0.0166510447,-0.0317457092,GGA,P2_1/c,A6B3C8D_mP36_14_3e_ae_4e_c:H-K-O-Pu,36.0,"Invalid WP multiplicities - A6B3C8D_mP36_14_7e_ae_11e_c:H-K-O-Pu, expected K3Pu(H7O11)2 to be K3Pu(H3O4)2" +mp-1237009,K3Pu(H3O4)2,-6.2352959275,-1.9281347536,0.0,-0.0483967539,GGA,P2_1/c,A6B3C8D_mP36_14_3e_ae_4e_c:H-K-O-Pu,36.0,A6B3C8D_mP36_14_3e_ae_4e_c:H-K-O-Pu +mp-626716,KHO,-4.7009265167,-1.5509886156,0.0032411483,-0.1561935606,GGA,P2_1,ABC_mP6_4_a_a_a:H-K-O,6.0,ABC_mP6_4_a_a_a:H-K-O +mp-642817,KHO,-4.701966455,-1.5520285539,0.00220121,-0.1572334989,GGA,P2_1/c,ABC_mP12_14_e_e_e:H-K-O,12.0,ABC_mP12_14_e_e_e:H-K-O +mp-626785,KHO,-4.704167665,-1.5542297639,0.0,-0.1594347089,GGA,Cmc2_1,ABC_oC12_36_a_a_a:H-K-O,6.0,ABC_oC12_36_a_a_a:H-K-O +mp-28263,KH3O2,-4.9983770075,-1.4680512567,0.0,-0.0404267503,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:H-K-O,24.0,"Invalid WP multiplicities - A3BC2_mP24_14_3e_e_4e:H-K-O, expected KH3O4 to be KH3O2" +mp-28196,KH9O5,-5.1102198125,-1.3516613519,0.004791563,0.004791563,GGA,P2_1/c,A9BC5_mP60_14_9e_e_5e:H-K-O,60.0,"Invalid WP multiplicities - A9BC5_mP60_14_12e_e_5e:H-K-O, expected KH12O5 to be KH9O5" +mp-1205512,KBa2IO6,-5.753584769,-2.1434000245,0.0,-0.0383871735,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-I-K-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-I-K-O +mp-1211784,KBa2I5,-3.5342671966,-1.9948696244,0.0,-0.0050685047,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ba-I-K,32.0,A2B5C_mP32_14_2e_5e_e:Ba-I-K +mp-1200548,B5Pb2IO9,-7.5934193085,-2.4866065,0.0,-0.0172507916,GGA,Pnn2,A5BC9D2_oP68_34_5c_ab_9c_2c:B-I-O-Pb,68.0,A5BC9D2_oP68_34_5c_ab_9c_2c:B-I-O-Pb +mp-28797,YHSe,-6.1035176867,-1.651814808,0.0,-0.1165949328,GGA,P-6m2,ABC_hP3_187_a_d_e:H-Se-Y,3.0,ABC_hP3_187_a_d_e:H-Se-Y +mp-24335,YH5(SeO4)2,-6.1039852686,-1.7292706446,0.0,-0.0710465477,GGA,P2_12_12_1,A5B8C2D_oP64_19_5a_8a_2a_a:H-O-Se-Y,64.0,"Invalid WP multiplicities - A5B8C2D_oP64_19_6a_14a_2a_a:H-O-Se-Y, expected YH6(SeO7)2 to be YH5(SeO4)2" +mp-697913,HfP2(H3O5)2,-7.033910345,-2.2651189015,0.0169058904,0.0169058904,GGA,P2_1,A6BC10D2_mP38_4_6a_a_10a_2a:H-Hf-O-P,38.0,A6BC10D2_mP38_4_6a_a_10a_2a:H-Hf-O-P +mp-697652,HfP2H4O9,-7.3921716167,-2.4624905777,0.0070287339,0.0070287339,GGA,P2_1/c,A4BC9D2_mP64_14_4e_e_9e_2e:H-Hf-O-P,64.0,A4BC9D2_mP64_14_4e_e_9e_2e:H-Hf-O-P +mp-23957,SrH2I2O7,-5.3074715696,-1.4700966344,0.0146283138,0.0146283138,GGA,C2/c,A2B2C7D_mC48_15_f_f_e3f_e:H-I-O-Sr,24.0,A2B2C7D_mC48_15_f_f_e3f_e:H-I-O-Sr +mp-1208947,Sr2HI2,-1.756401228,0.1872879023,1.6125264116,1.6125264116,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:H-I-Sr,5.0,AB2C2_tP5_123_a_g_g:H-I-Sr +mp-643385,SrHIO,-5.0085365356,-2.1329678957,0.0,-0.0615621597,GGA,Pnma,ABCD_oP16_62_c_c_c_c:H-I-O-Sr,16.0,ABCD_oP16_62_c_c_c_c:H-I-O-Sr +mp-1019269,Sr2H3I,-3.5120455533,-1.0069569881,0.0080718813,0.0080718813,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:H-I-Sr,6.0,A3BC2_hP6_164_ad_b_d:H-I-Sr +mp-24205,SrHI,-3.5626226333,-1.3774273506,0.0,-0.0408092486,GGA,P4/nmm,ABC_tP6_129_a_c_c:H-I-Sr,6.0,ABC_tP6_129_a_c_c:H-I-Sr +mp-703295,SrH2I2O,-4.3667427892,-1.6386816301,0.000315545,0.000315545,GGA,Pnma,A2B2CD_oP24_62_2c_2c_c_c:H-I-O-Sr,24.0,A2B2CD_oP24_62_2c_2c_c_c:H-I-O-Sr +mp-1208664,SrH(IO3)2,-4.926001103,-1.1550926564,0.3677465422,0.3677465422,GGA,C2/c,AB2C6D_mC40_15_e_f_3f_e:H-I-O-Sr,20.0,AB2C6D_mC40_15_e_f_3f_e:H-I-O-Sr +mp-1211631,K3Tb(BO3)2,-7.0920748617000005,-2.8417016325,0.0,-0.0889545605,GGA,Pnnm,A2B3C6D_oP24_58_g_ag_gh_c:B-K-O-Tb,24.0,A2B3C6D_oP24_58_g_ag_gh_c:B-K-O-Tb +mp-558442,Cr3B7IO13,-8.4753539258,-2.5797204091,0.0,-0.0689869776,GGA+U,F-43c,A7B3CD13_cF192_219_ce_d_a_bh:B-Cr-I-O,48.0,"Invalid WP multiplicities - A7B3CD13_cF192_219_5c5e_d_a_2b3h:B-Cr-I-O, expected Cr3B35IO38 to be Cr3B7IO13" +mp-1192505,YWBrO4,-8.4930232675,-2.6695397649,0.0294856792,0.0294856792,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-W-Y,28.0,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-W-Y +mp-1224627,GdY(WO4)3,-9.7133546791,-2.7264577039,0.0384481096,0.0384481096,GGA+U,C2,AB12C3D_mC68_5_c_12c_ab2c_c:Gd-O-W-Y,34.0,AB12C3D_mC68_5_c_12c_ab2c_c:Gd-O-W-Y +mp-1179137,Tc(I3O)2,-3.3919321089,-0.1592416125,0.4688293525,0.4688293525,GGA,P1,A6B2C_aP18_1_12a_4a_2a:I-O-Tc,18.0,A6B2C_aP18_1_12a_4a_2a:I-O-Tc +mp-1179242,Tc(I3O)2,-3.3727496272,-0.1400591308,0.4880118342,0.4880118342,GGA,Cc,A6B2C_mC36_9_6a_2a_a:I-O-Tc,18.0,"Invalid WP multiplicities - A6B2C_mC36_9_9a_3a_a:I-O-Tc, expected Tc(I3O)3 to be Tc(I3O)2" +mp-1188960,Tc(I3O)2,-2.9722394078,0.2604510886,0.8885220536,0.8885220536,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:I-O-Tc,18.0,A6B2C_tP18_128_eh_d_a:I-O-Tc +mp-1190985,TcC5IO5,-7.9126613788,-1.0200966859,0.1427091671,0.1427091671,GGA,Cmcm,A5BC5D_oC48_63_ch_c_ch_c:C-I-O-Tc,24.0,A5BC5D_oC48_63_ch_c_ch_c:C-I-O-Tc +mp-662721,TcC4IO4,-7.8924439756,-1.0389017646,0.0909136693,0.0909136693,GGA,P2_1/c,A4BC4D_mP80_14_8e_2e_8e_2e:C-I-O-Tc,80.0,"Invalid WP multiplicities - A4BC4D_mP80_14_26e_5e_31e_6e:C-I-O-Tc, expected Tc6C26I5O31 to be TcC4IO4" +mp-9102,RbVP2S7,-5.4443646882,-0.912892486,0.0,-0.0007603111,GGA,C2,A2BC7D_mC22_5_c_b_a3c_a:P-Rb-S-V,11.0,"Invalid WP multiplicities - A2BC7D_mC22_5_c_b_a4c_a:P-Rb-S-V, expected RbVP2S9 to be RbVP2S7" +mp-561433,KPuCO5,-8.8609316725,-2.6933883818,0.0,-0.1414150646,GGA,P6_3/mmc,ABC5D_hP16_194_c_a_fh_d:C-K-O-Pu,16.0,"Invalid WP multiplicities - ABC5D_hP16_194_c_a_3f3h_d:C-K-O-Pu, expected KPuCO15 to be KPuCO5" +mp-1041783,YNi(WO4)2,-8.8002217233,-2.3221902281,0.116699905,0.116699905,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Ni-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Ni-O-W-Y +mp-19234,Ba2WO3F4,-7.2837420805,-3.3555358691,0.0195805306,0.0195805306,GGA+U,Cc,A2B4C3D_mC40_9_2a_4a_3a_a:Ba-F-O-W,20.0,A2B4C3D_mC40_9_2a_4a_3a_a:Ba-F-O-W +mp-2646998,TmBH4,-4.3915468739,-0.2705249782,0.2809371708,0.2809371708,GGA,C2,AB4C_mC36_5_ac_6c_ac:B-H-Tm,18.0,AB4C_mC36_5_ac_6c_ac:B-H-Tm +mp-1201207,TmB2HO5,-7.9536837544,-2.8469294693,0.1363623549,0.1363623549,GGA,C2/c,A2BC5D_mC72_15_2f_f_5f_f:B-H-O-Tm,36.0,A2BC5D_mC72_15_2f_f_5f_f:B-H-O-Tm +mp-604889,K3Gd3(PS4)4,-6.5253223335,-1.3947080466,0.0,-0.0556537837,GGA,C2/c,A3B3C4D16_mC104_15_ef_af_2f_8f:Gd-K-P-S,52.0,"Invalid WP multiplicities - A3B3C4D16_mC104_15_e2f_2c2f_4f_28f:Gd-K-P-S, expected K6Gd5(PS7)8 to be K3Gd3(PS4)4" +mp-18136,UTl4C3O11,-7.4478013561,-2.0350879404,0.0,-0.0497648761,GGA,C2/c,A3B11C4D_mC76_15_ef_e5f_2f_e:C-O-Tl-U,38.0,"Invalid WP multiplicities - A3B11C4D_mC76_15_ef_e6f_3f_e:C-O-Tl-U, expected UTl6C3O13 to be UTl4C3O11" +mp-1045123,Y(CoO2)3,-7.5473737017,-1.8002180252,0.120423963,0.120423963,GGA+U,P-1,A3B6C_aP40_2_bcde4i_12i_2i:Co-O-Y,40.0,"Invalid WP multiplicities - A3B6C_aP40_2_bcde5i_24i_4i:Co-O-Y, expected Y4Co7O24 to be Y(CoO2)3" +mp-1273178,YCoO3,-8.2775344885,-2.5945634801,0.010950995,0.0091629974,GGA+U,P-1,AB3C_aP20_2_abeh_6i_2i:Co-O-Y,20.0,"Invalid WP multiplicities - AB3C_aP20_2_abeh_10i_3i:Co-O-Y, expected Y3(CoO5)2 to be YCoO3" +mp-1288734,YCoO3,-8.2737256455,-2.5907546371,0.014759838,0.0129718404,GGA+U,P2_1/c,AB3C_mP20_14_ab_3e_e:Co-O-Y,20.0,"Invalid WP multiplicities - AB3C_mP20_14_ab_11e_e:Co-O-Y, expected YCoO11 to be YCoO3" +mp-22668,YCoO3,-8.2884854835,-2.6055144751,0.0,-0.0017879976,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Y,20.0,AB3C_oP20_62_a_cd_c:Co-O-Y +mp-1330514,YCoO3,-8.2664680377,-2.5834970293,0.0220174458,0.0202294482,GGA+U,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Co-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Co-O-Y +mp-1387356,YCoO3,-8.182845361,-2.4998743526,0.1056401225,0.1038521249,GGA+U,P6_3/mmc,AB3C_hP10_194_c_bf_a:Co-O-Y,10.0,AB3C_hP10_194_c_bf_a:Co-O-Y +mp-1435972,YCoO3,-8.058154954,-2.3751839456,0.2303305295,0.2285425319,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Co-O-Y,5.0,AB3C_cP5_221_b_c_a:Co-O-Y +mp-19468,YCo(BO2)5,-8.543669038400001,-2.8708081634,0.0328529086,0.0328529086,GGA+U,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Co-O-Y,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-Co-O-Y +mp-1369302,Y2Co2O7,-7.9715311473,-2.3554948931,0.0398051299,0.0398051299,GGA+U,Fd-3m,A2B7C2_cF88_227_d_af_c:Co-O-Y,22.0,A2B7C2_cF88_227_d_af_c:Co-O-Y +mp-1187759,Y2Co2O5,-8.1069104133,-2.3421302608,0.4354791049,0.4354791049,GGA+U,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Co-O-Y,9.0,A2B5C2_tP9_123_h_ci_ab:Co-O-Y +mp-1045482,Y(CoO2)2,-7.8536359629,-2.0722271702,0.180715994,0.180715994,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Co-O-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_ae_3h3i_c:Co-O-Y, expected Y(CoO6)2 to be Y(CoO2)2" +mp-1383697,Y(CoO2)2,-7.9323617514,-2.1509529588,0.1019902054,0.1019902054,GGA+U,I4_1/a,A2B4C_tI28_88_c_f_b:Co-O-Y,14.0,A2B4C_tI28_88_c_f_b:Co-O-Y +mp-1392045,Y(CoO2)2,-7.7772676121,-1.9958588195,0.2570843447,0.2570843447,GGA+U,R-3m,A2B4C_hR42_166_ad_ch_c:Co-O-Y,14.0,"Invalid WP multiplicities - A2B4C_hR42_166_a2d_2c2h_c:Co-O-Y, expected Y2Co7O16 to be Y(CoO2)2" +mp-1199164,BiP4NO12,-7.1387291844,-1.9614814835,0.3514737983,0.3514737983,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-N-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Bi-N-O-P +mp-1193044,BiP3NO10,-7.272055351,-2.0798034385,0.1494333097,0.1494333097,GGA,P-1,ABC10D3_aP30_2_i_i_10i_3i:Bi-N-O-P,30.0,ABC10D3_aP30_2_i_i_10i_3i:Bi-N-O-P +mp-740364,BiP3NO10,-6.8832752747,-1.6910233622000002,0.538213386,0.538213386,GGA,P-1,ABC10D3_aP30_2_i_i_10i_3i:Bi-N-O-P,30.0,ABC10D3_aP30_2_i_i_10i_3i:Bi-N-O-P +mp-1217667,TlP4(W5O17)4,-8.9007778696,-2.2389145347,0.0217203526,0.0217203526,GGA+U,P1,A68B4CD20_aP93_1_68a_4a_a_20a:O-P-Tl-W,93.0,A68B4CD20_aP93_1_68a_4a_a_20a:O-P-Tl-W +mp-705040,Bi2W3(CO)15,-8.1064687359,-0.7011635357,0.5371599884,0.5371599884,GGA+U,P-1,A2B15C15D3_aP70_2_2i_15i_15i_3i:Bi-C-O-W,70.0,"Invalid WP multiplicities - A2B15C15D3_aP70_2_4i_29i_29i_6i:Bi-C-O-W, expected Bi4W6(CO)29 to be Bi2W3(CO)15" +mp-22991,CsVI3,-4.053066899,-1.1731854006,0.0,-0.003922179,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Cs-I-V,10.0,AB3C_hP10_194_c_h_a:Cs-I-V +mp-572728,CsV2I3O13,-6.1325446705,-1.5120043122,0.0,-0.0038397885,GGA+U,Ima2,AB3C13D2_oI76_46_b_bc_a2b5c_c:Cs-I-O-V,38.0,"Invalid WP multiplicities - AB3C13D2_oI76_46_b_b2c_2a4b18c_c:Cs-I-O-V, expected CsV2I5O42 to be CsV2I3O13" +mp-554762,KXeO3F,-3.4077451529,-0.4247254499,0.5539147244,0.5539147244,GGA,Pna2_1,ABC3D_oP24_33_a_a_3a_a:F-K-O-Xe,24.0,"Invalid WP multiplicities - ABC3D_oP24_33_a_a_10a_a:F-K-O-Xe, expected KXeO10F to be KXeO3F" +mp-1204302,K4XeO15,-4.2957212495,-0.3618162182,0.2310029599,0.2310029599,GGA,Pca2_1,A4B15C_oP80_29_4a_15a_a:K-O-Xe,80.0,A4B15C_oP80_29_4a_15a_a:K-O-Xe +mp-982244,Pa3H,-7.4810047937,0.5031752125,0.664726813,0.664726813,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-Pa,8.0,AB3_hP8_194_c_h:H-Pa +mp-1187180,Pa3H,-7.50113108,0.4830489262,0.6446005268,0.6446005268,GGA,Pm-3m,AB3_cP4_221_a_c:H-Pa,4.0,AB3_cP4_221_a_c:H-Pa +mp-1195939,PaH8N2F7,-5.8211309096,-2.1150300406,0.0,-0.4919326674,GGA,P2_1/c,A7B8C2D_mP72_14_7e_8e_2e_e:F-H-N-Pa,72.0,A7B8C2D_mP72_14_7e_8e_2e_e:F-H-N-Pa +mp-1009545,PaN,-10.73480138,-1.8092215875,0.0,-1.8092215875,GGA,Fm-3m,AB_cF8_225_a_b:N-Pa,2.0,AB_cF8_225_a_b:N-Pa +mp-505570,PaH3,-5.4078655003,-0.4846548016,0.0,-0.4846548016,GGA,Pm-3n,A3B_cP32_223_k_ac:H-Pa,32.0,A3B_cP32_223_k_ac:H-Pa +mp-9637,K3NpO2F5,-6.5278425461000005,-3.2796835659,0.0,-0.1235685007,GGA,I4_1/a,A5B3CD2_tI88_88_e2f_abf_e_f:F-K-Np-O,44.0,A5B3CD2_tI88_88_e2f_abf_e_f:F-K-Np-O +mp-559638,K3NpO2F5,-6.5253067907,-3.2771478105,0.0025357555,-0.1210327452,GGA,I4_1/amd,A5B3CD2_tI88_141_e2h_abf_e_h:F-K-Np-O,44.0,"Invalid WP multiplicities - A5B3CD2_tI88_141_4e12h_2a2b3f_e_h:F-K-Np-O, expected K8Np(OF14)2 to be K3NpO2F5" +mp-1211682,KNp2F9,-7.4324359067,-3.7483301553,0.0,-0.0532563006,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-K-Np,48.0,A9BC2_oP48_62_c4d_c_d:F-K-Np +mp-1196700,Cs3Y2(H2N)9,-5.3570332567,-0.6158872418,0.0,-0.0154368039,GGA,R-3c,A3B18C9D2_hR192_167_e_3f_ef_c:Cs-H-N-Y,64.0,A3B18C9D2_hR192_167_e_3f_ef_c:Cs-H-N-Y +mp-1238356,Cs3Y2(H2N)9,-4.9590955209,-0.217949506,0.3979377358,0.3825009319,GGA,R-3c,A3B18C9D2_hR192_167_e_3f_ef_c:Cs-H-N-Y,64.0,A3B18C9D2_hR192_167_e_3f_ef_c:Cs-H-N-Y +mp-7012,KRb2YF6,-5.6883644825,-3.5876832815,0.0,-0.0347561524,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:F-K-Rb-Y,20.0,A6BC2D_mP20_14_3e_a_e_b:F-K-Rb-Y +mp-1110670,K2RbYF6,-5.598459136,-3.4847914475,0.1059545763,0.1059545763,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Y,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Y +mp-1189021,PdN4OF2,-5.4451972262,0.4667412933,1.1455691419,1.1455691419,GGA,C2/c,A2B4CD_mC32_15_f_2f_e_a:F-N-O-Pd,16.0,A2B4CD_mC32_15_f_2f_e_c:F-N-O-Pd +mp-1207977,VFe2BO5,-8.5999357272,-2.2180708587,0.0,-0.0414584489,GGA+U,Pbam,AB2C5D_oP36_55_g_adh_3g2h_g:B-Fe-O-V,36.0,AB2C5D_oP36_55_g_adh_3g2h_g:B-Fe-O-V +mp-1195908,Na3U6VF30,-7.2140125258,-3.7604047499,0.2654648934,0.2654648934,GGA+U,P-3c1,A30B3C6D_hP80_165_5g_bd_g_a:F-Na-U-V,80.0,A30B3C6D_hP80_165_5g_bd_g_a:F-Na-U-V +mp-559263,K2Li4UO6,-6.3909948523,-2.4811462648,0.140601861,0.140601861,GGA,P-3m1,A2B4C6D_hP13_164_d_be_i_a:K-Li-O-U,13.0,A2B4C6D_hP13_164_d_be_i_a:K-Li-O-U +mp-561392,TcSO6F,-6.9256934606,-1.8047267887,0.0,-0.0027711167,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:F-O-S-Tc,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_21e_e_e:F-O-S-Tc, expected TcSO21F to be TcSO6F" +mp-1189669,Rb3YN6,-4.6793492,1.2633550881,1.9116855068,1.9116855068,GGA,R-3c,A6B3C_hR60_167_f_e_b:N-Rb-Y,20.0,A6B3C_hR60_167_f_e_b:N-Rb-Y +mp-1201420,Rb2Y(NO3)5,-6.8698855614,-1.4650879722,0.0010405196,-0.0248605866,GGA,P3_1,A5B15C2D_hP69_144_5a_15a_2a_a:N-O-Rb-Y,69.0,A5B15C2D_hP69_144_5a_15a_2a_a:N-O-Rb-Y +mp-561251,Rb2Y(NO3)5,-6.870926081,-1.4661284918000002,0.0,-0.0259011061,GGA,P3_121,A5B15C2D_hP69_152_a2c_a7c_ab_a:N-O-Rb-Y,69.0,"Invalid WP multiplicities - A5B15C2D_hP69_152_2a6c_3a41c_3a3b_a:N-O-Rb-Y, expected Rb6YN14O85 to be Rb2Y(NO3)5" +mp-1102178,RbYN4,-5.3944149150000005,1.4044158993,2.3017259642,2.3017259642,GGA,P-1,A4BC_aP12_2_4i_i_i:N-Rb-Y,12.0,A4BC_aP12_2_4i_i_i:N-Rb-Y +mp-559645,KThP3O10,-8.0324328955,-3.0836961069,0.0,-0.00015732,GGA,P2_12_12_1,AB10C3D_oP60_19_a_10a_3a_a:K-O-P-Th,60.0,"Invalid WP multiplicities - AB10C3D_oP60_19_a_37a_7a_a:K-O-P-Th, expected KThP7O37 to be KThP3O10" +mp-540876,KTh2(PO4)3,-8.4501492358,-3.3646888191,0.0,-0.0470344558,GGA,C2/c,AB12C3D2_mC72_15_e_6f_ef_f:K-O-P-Th,36.0,AB12C3D2_mC72_15_e_6f_ef_f:K-O-P-Th +mp-630303,RhC2IO2,-7.0445784883,-0.8465147171,0.1730443249,0.1730443249,GGA,P2_1/c,A2BC2D_mP48_14_4e_2e_4e_2e:C-I-O-Rh,48.0,"Invalid WP multiplicities - A2BC2D_mP48_14_13e_4e_11e_6e:C-I-O-Rh, expected Rh6C13I4O11 to be RhC2IO2" +mp-1194788,NaY(BH4)4,-4.4560084502,-0.4200911679,0.0058805063,0.0058805063,GGA,C222_1,A4B16CD_oC88_20_2c_8c_a_b:B-H-Na-Y,44.0,A4B16CD_oC88_20_2c_8c_a_b:B-H-Na-Y +mp-1195647,NaY(BH4)4,-4.4537991907,-0.4178819084,0.0080897659,0.0080897659,GGA,Cmcm,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Y,44.0,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Y +mp-1247222,YMg2W3S8,-6.8412519164,-1.0103218565,0.4496505968,0.4496505968,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-W-Y,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-W-Y, expected YMg2W3S16 to be YMg2W3S8" +mp-1028095,YMg14W,-2.475734285,0.1385483427,0.177974103,0.177974103,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-W-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-W-Y, expected YMg18W to be YMg14W" +mp-1028023,YMg14W,-2.4412342994,0.1730483283,0.2124740887,0.2124740887,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-W-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-W-Y, expected YMg26W to be YMg14W" +mp-1246368,YMgWS4,-6.7531855736,-1.3859454506,0.3128603793,0.3128603793,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-W-Y,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-W-Y, expected YMgWS12 to be YMgWS4" +mp-1246687,Y3Mg2WS8,-6.6769569136,-1.7734067275,0.1642324789,0.1642324789,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-W-Y,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c3h_a_d:Mg-S-W-Y, expected Y3Mg2WS22 to be Y3Mg2WS8" +mp-1022646,YMg6W,-3.3234841488,0.3048010567,0.3593221674,0.3593221674,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-W-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-W-Y, expected YMg12W to be YMg6W" +mp-1022657,YMg6W,-3.3520233006,0.2762619048,0.3307830156,0.3307830156,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-W-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-W-Y, expected YMg12W to be YMg6W" +mp-1207531,Zn3B7IO13,-7.352569738,-2.5060992038,0.0201856532,0.0201856532,GGA,Pca2_1,A7BC13D3_oP96_29_7a_a_13a_3a:B-I-O-Zn,96.0,A7BC13D3_oP96_29_7a_a_13a_3a:B-I-O-Zn +mp-1207487,Zn3B7IO13,-7.3459320388,-2.4994615045,0.0268233525,0.0268233525,GGA,F-43c,A7BC13D3_cF192_219_ce_a_bh_d:B-I-O-Zn,48.0,A7BC13D3_cF192_219_ce_a_bh_d:B-I-O-Zn +mp-1224624,K9Ta2VS12,-5.3397239222,-1.4884551615,0.0011972307,0.0011972307,GGA,P1,A9B12C2D_aP96_1_36a_48a_8a_4a:K-S-Ta-V,96.0,A9B12C2D_aP96_1_36a_48a_8a_4a:K-S-Ta-V +mp-1213027,K2Te2W3O5,-6.2412494004,-0.2316457398,1.4445220106,1.4445220106,GGA+U,P2_1/c,A2B5C2D3_mP48_14_2e_5e_2e_3e:K-O-Te-W,48.0,A2B5C2D3_mP48_14_2e_5e_2e_3e:K-O-Te-W +mp-558216,K2Te(WO4)3,-7.9044968279,-2.1490102161,0.0,-0.010447168,GGA+U,P2_1/c,A2B12CD3_mP72_14_2e_12e_e_3e:K-O-Te-W,72.0,"Invalid WP multiplicities - A2B12CD3_oP72_62_2c_4c6d_c_cd:K-O-Te-W, expected K2TeW3O16 to be K2Te(WO4)3" +mp-566368,K2Te(WO4)3,-7.9039290367,-2.1484424249,0.0005677912,-0.0098793767,GGA+U,Pnma,A2B12CD3_oP72_62_2c_4c4d_c_cd:K-O-Te-W,72.0,"Invalid WP multiplicities - A2B12CD3_oP72_62_4c_14c27d_c_3c3d:K-O-Te-W, expected K4TeW9O68 to be K2Te(WO4)3" +mp-1047438,YTa(WO4)2,-9.5843772908,-2.5998757164,0.2776181004,0.2776181004,GGA+U,P1,A8BC2D_aP12_1_8a_a_2a_a:O-Ta-W-Y,12.0,A8BC2D_aP12_1_8a_a_2a_a:O-Ta-W-Y +mp-1042458,YTa(WO4)2,-9.7743936358,-2.7898920614,0.0876017554,0.0876017554,GGA+U,P2/c,A8BC2D_mP24_13_4g_e_g_f:O-Ta-W-Y,24.0,A8BC2D_mP24_13_4g_e_g_f:O-Ta-W-Y +mp-35739,ZrUN2,-10.8412090688,-1.7131839462,2.32488e-05,-0.0380817012,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:N-U-Zr,8.0,A2BC_tI16_141_e_a_b:N-U-Zr +mp-1215248,ZrUN2,-10.8412323175,-1.713207195,0.0,-0.03810495,GGA,R-3m,A2BC_hR12_166_c_a_b:N-U-Zr,4.0,A2BC_hR12_166_c_a_b:N-U-Zr +mp-1215199,ZrUCN,-10.4744310425,-1.1233632781,0.0236836175,0.0236836175,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-U-Zr,4.0,ABCD_hR12_160_a_a_a_a:C-N-U-Zr +mp-13560,YB2Pd7,-5.976701143,-0.3682584105,0.136168688,0.136168688,GGA,Fm-3m,A2B7C_cF40_225_c_ad_b:B-Pd-Y,10.0,"Invalid WP multiplicities - A2B7C_cF40_225_c_a2d_b:B-Pd-Y, expected YB2Pd13 to be YB2Pd7" +mp-1018629,YPd3C,-6.498267538,-0.2513111308,0.4381692785,0.4381692785,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Pd-Y,5.0,AB3C_cP5_221_b_c_a:C-Pd-Y +mp-4597,Y2B5Pd14,-6.1140850976,-0.4546447919,0.0317253054,0.0317253054,GGA,I4_1/amd,A5B14C2_tI84_141_af_cg2h_e:B-Pd-Y,42.0,"Invalid WP multiplicities - A5B14C2_tI84_141_af_cg3h_e:B-Pd-Y, expected Y2B5Pd18 to be Y2B5Pd14" +mp-1024989,YB2Pd2C,-7.0630915817,-0.4941442871,0.0660880496,0.0660880496,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Pd-Y,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Pd-Y +mp-1018643,YBPd3,-6.360853014,-0.6237513512,0.0907750727,0.0907750727,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Pd-Y,5.0,AB3C_cP5_221_b_c_a:B-Pd-Y +mp-1216293,UBi4WO12,-7.6745595239,-2.1761283408,1.6289652957,1.6289652957,GGA+U,P4/mmm,A4B12CD_tP18_123_gh_efghi_a_d:Bi-O-U-W,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_2gh_2ef2ghi_b_c:Bi-O-U-W, expected UBi6WO16 to be UBi4WO12" +mp-1110834,K2LiYF6,-5.797028633,-3.5905220651,0.0465504083,0.0465504083,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Y,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Y +mp-556237,KLiYF5,-6.1755240659,-3.7951255954,0.000250228,0.000250228,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Y,32.0,"Invalid WP multiplicities - A5BCD_mP32_14_18e_e_e_e:F-K-Li-Y, expected KLiYF18 to be KLiYF5" +mp-1196153,KLiYF5,-6.1744145411,-3.7940160705,0.0013597528,0.0013597528,GGA,P2_1/c,A5BCD_mP64_14_10e_2e_2e_2e:F-K-Li-Y,64.0,A5BCD_mP64_14_10e_2e_2e_2e:F-K-Li-Y +mp-553930,B2Pb6SO12,-6.6991359339,-1.9785940119,0.0,-0.0119919175,GGA,Pnma,A2B12C6D_oP84_62_d_4c4d_2c2d_c:B-O-Pb-S,84.0,"Invalid WP multiplicities - A2B12C6D_oP84_62_d_15c28d_8c10d_c:B-O-Pb-S, expected B2Pb28SO71 to be B2Pb6SO12" +mp-1202469,UMnS2O15,-6.8554192737,-1.4382268682,0.3708001791,0.3708001791,GGA+U,P2_1,AB15C2D_mP38_4_a_15a_2a_a:Mn-O-S-U,38.0,AB15C2D_mP38_4_a_15a_2a_a:Mn-O-S-U +mp-1237299,UMnS2O15,-6.8381287526,-1.4209363471,0.3880907001,0.3880907001,GGA+U,P2_1,AB15C2D_mP38_4_a_15a_2a_a:Mn-O-S-U,38.0,AB15C2D_mP38_4_a_15a_2a_a:Mn-O-S-U +mp-1227491,Ce4P5SO28,-7.5678445237,-2.4772497096,0.2313159667,0.2313159667,GGA,C2,A4B28C5D_mC76_5_2c_14c_a2c_b:Ce-O-P-S,38.0,A4B28C5D_mC76_5_2c_14c_a2c_b:Ce-O-P-S +mp-849260,ReH8(I3N)2,-4.3224812691,-0.4930975341,0.0379787967,0.0379787967,GGA,P4/mnc,A8B6C2D_tP34_128_i_eh_d_a:H-I-N-Re,34.0,"Invalid WP multiplicities - A8B6C2D_tP34_128_i_2e2h_d_a:H-I-N-Re, expected ReH8(I6N)2 to be ReH8(I3N)2" +mp-1220491,Nb6V2(CS2)3,-8.7566719406,-1.0342991136,0.0434402007,0.0434402007,GGA,C2/m,A3B6C6D2_mC34_12_ag_ij_ij_h:C-Nb-S-V,17.0,"Invalid WP multiplicities - A3B6C6D2_mC34_12_a2g_2i2j_2i2j_h:C-Nb-S-V, expected Nb12V2C5S12 to be Nb6V2(CS2)3" +mp-1216053,YEr3V4O16,-8.8600138488,-3.2078358819,0.0003139235,0.0003139235,GGA+U,C222,A3B16C4D_oC48_21_ak_4l_bdk_c:Er-O-V-Y,24.0,"Invalid WP multiplicities - A3B16C4D_oC48_21_ak_16l_bdk_c:Er-O-V-Y, expected YEr3V4O64 to be YEr3V4O16" +mp-1198619,VAg(IO4)2,-5.7190326617,-1.1826406231,0.0208782877,0.0208782877,GGA+U,Pccn,AB2C8D_oP192_56_2e_4e_16e_2e:Ag-I-O-V,192.0,AB2C8D_oP192_56_2e_4e_16e_2e:Ag-I-O-V +mp-1199949,Tm5B2(O2F3)3,-7.8041300034,-4.0486116564,0.0,-0.1269899243,GGA,C2/c,A2B9C6D5_mC88_15_f_e4f_3f_e2f:B-F-O-Tm,44.0,A2B9C6D5_mC88_15_f_e4f_3f_e2f:B-F-O-Tm +mp-551816,YBi2IO4,-6.7591522438,-2.3332059227,0.0,-0.0451415234,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Y,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Y +mp-6137,Mg4P6SN12,-7.27505912,-1.0552624154,0.0,-0.1994637448,GGA,I-43m,A4B12C6D_cI46_217_c_g_d_a:Mg-N-P-S,23.0,A4B12C6D_cI46_217_c_g_d_a:Mg-N-P-S +mp-1181688,Cs2K2B10O17,-7.795168384,-2.7984190796,0.0003663548,-0.0016938132,GGA,P1,A10B2C2D17_aP62_1_20a_4a_4a_34a:B-Cs-K-O,62.0,"Invalid WP multiplicities - A10B2C2D17_mC124_15_15f_f_f_2e28f:B-Cs-K-O, expected CsKB15O29 to be Cs2K2B10O17" +mp-623787,Cs2K2B10O17,-7.7949948032,-2.7982454988,0.0005399356,-0.0015202324,GGA,C2,A10B2C2D17_mC124_5_10c_2c_2c_ab16c:B-Cs-K-O,62.0,"Invalid WP multiplicities - A10B2C2D17_mC124_15_15f_f_f_2e28f:B-Cs-K-O, expected CsKB15O29 to be Cs2K2B10O17" +mp-1200330,Cs2K2B10O17,-7.7955347389,-2.7987854344,0.0,-0.0020601681,GGA,C2/c,A10B2C2D17_mC124_15_5f_f_f_e8f:B-Cs-K-O,62.0,A10B2C2D17_mC124_15_5f_f_f_e8f:B-Cs-K-O +mp-1211572,KZr6CI14,-5.030833245,-1.2920879214,0.00473251,0.00473251,GGA,Cmce,AB14CD6_oC88_64_a_def2g_b_fg:C-I-K-Zr,44.0,AB14CD6_oC88_64_a_def2g_b_fg:C-I-K-Zr +mp-972320,UNiB4,-7.7816894921,-0.4835038632,0.0,-0.0205392047,GGA,I4/mmm,A4BC_tI48_139_lm_i_de:B-Ni-U,24.0,A4BC_tI48_139_lm_i_de:B-Ni-U +mp-10130,U2(Ni7B2)3,-6.6659189055,-0.3196416322,0.0,-0.0355220483,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Ni-U,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a3f3h_c:B-Ni-U, expected U2Ni61B6 to be U2(Ni7B2)3" +mp-578723,UNi7(BO4)4,-7.7874767138,-2.1582998126,0.0,-0.0012769921,GGA+U,Pnnm,A4B7C16D_oP56_58_2g_agh_4g2h_c:B-Ni-O-U,56.0,"Invalid WP multiplicities - A4B7C16D_oP56_58_5g_2a2g3h_14g11h_c:B-Ni-O-U, expected UNi18(B5O36)2 to be UNi7(BO4)4" +mp-1211788,La4CI6N,-5.5658042715,-1.7200220267000002,0.0,-0.1051699402,GGA,P4_2/mnm,AB6C4D_tP48_136_f_fgk_fgj_e:C-I-La-N,48.0,AB6C4D_tP48_136_f_fgk_fgj_e:C-I-La-N +mp-11602,KY2CuS4,-6.2470782238,-1.9110348099,0.0,-0.0310653981,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cu-K-S-Y,16.0,"Invalid WP multiplicities - ABC4D2_oC32_63_c_c_a2c3f_f:Cu-K-S-Y, expected KY2CuS9 to be KY2CuS4" +mp-1200707,U2V2NiO16,-7.9259667924,-1.9413102105,0.3377824232,0.3377824232,GGA+U,Pnma,AB16C2D2_oP84_62_c_4c6d_d_d:Ni-O-U-V,84.0,AB16C2D2_oP84_62_c_4c6d_d_d:Ni-O-U-V +mp-554518,EuCO3,-9.494560945,-2.6294142598,0.0,-0.2354423706,GGA,Pnma,ABC3_oP20_62_c_c_cd:C-Eu-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_2c3d:C-Eu-O, expected EuCO8 to be EuCO3" +mp-1192396,EuCO4,-8.7321513058,-2.1867476162,0.0255787133,0.0255787133,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-Eu-O,24.0,ABC4_oP24_62_c_c_2cd:C-Eu-O +mp-1211491,KEu(CO3)2,-8.3308797265,-2.3803933266,0.0,-0.1521316069,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-Eu-K-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-Eu-K-O +mp-1216406,VNi5(BO5)2,-7.4765238164,-1.8759538095,0.0181730881,0.0181730881,GGA+U,Pmc2_1,A2B5C10D_oP36_26_2a_2a3b_6a4b_a:B-Ni-O-V,36.0,"Invalid WP multiplicities - A2B5C10D_oP36_26_3a_2a4b_9a6b_a:B-Ni-O-V, expected VNi6(BO5)3 to be VNi5(BO5)2" +mp-675089,V5N4O,-9.036596802,-0.6653769259,0.8503666165,0.8503666165,GGA+U,C2,A4BC5_mC20_5_2c_a_a2c:N-O-V,10.0,A4BC5_aP10_1_4a_a_5a:N-O-V +mp-691129,V5N4O,-9.21952371,-0.8483038339000001,0.6674397085,0.6674397085,GGA+U,I4/m,A4BC5_tI20_87_h_a_bh:N-O-V,10.0,A4BC5_tI20_87_h_a_bh:N-O-V +mp-795607,V2N4O11,-5.6768352403,0.554186387,1.8608728315,1.8608728315,GGA+U,P2_1/c,A4B11C2_mP68_14_4e_11e_2e:N-O-V,68.0,A4B11C2_mP68_14_4e_11e_2e:N-O-V +mp-1216644,V2NO,-9.0905901475,-1.2278412034,0.5484860737,0.5484860737,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:N-O-V,4.0,ABC2_tP4_123_a_d_bc:N-O-V +mp-690555,V2NO,-9.1321291163,-1.2693801722,0.5069471050000001,0.5069471050000001,GGA+U,I4_1/amd,ABC2_tI16_141_a_b_e:N-O-V,8.0,ABC2_tI16_141_a_b_e:N-O-V +mp-1205113,VN3O10,-7.0919265473,-1.1233352646,0.0,-0.087853917,GGA+U,P2_1/c,A3B10C_mP56_14_3e_10e_e:N-O-V,56.0,A3B10C_mP56_14_3e_10e_e:N-O-V +mp-1193517,V3(NO4)2,-7.8442124238,-1.4212725969,0.4679287541,0.4679287541,GGA+U,P4bm,A2B8C3_tP26_100_c_abcd_ac:N-O-V,26.0,A2B8C3_tP26_100_c_abcd_ac:N-O-V +mp-1194363,V3(NO4)2,-7.3837233792,-0.9607835523,0.9284177987,0.9284177987,GGA+U,P4bm,A2B8C3_tP26_100_c_abcd_ac:N-O-V,26.0,A2B8C3_tP26_100_c_abcd_ac:N-O-V +mp-1193132,V3(NO4)2,-7.3272328523,-0.9042930254,0.9849083257,0.9849083257,GGA+U,P4/mbm,A2B8C3_tP26_127_g_acgj_bh:N-O-V,26.0,A2B8C3_tP26_127_g_acgj_bh:N-O-V +mp-1207836,VN3O8,-5.2324390183,0.9064693596,2.0467665414,2.0467665414,GGA+U,I-42m,A3B8C_tI24_121_ad_2i_b:N-O-V,12.0,A3B8C_tI24_121_ad_2i_b:N-O-V +mp-1207886,V4NO10,-8.02961327,-1.7536795155,0.383589043,0.383589043,GGA+U,C2/m,AB10C4_mC30_12_a_5i_2i:N-O-V,15.0,AB10C4_mC30_12_a_5i_2i:N-O-V +mp-1178820,VNO3,-7.785383456,-1.3332900303000002,0.3727306447,0.3727306447,GGA+U,Pbcm,AB3C_oP20_57_d_c2d_d:N-O-V,20.0,AB3C_oP20_57_d_c2d_d:N-O-V +mp-1189181,VNO3,-7.776691492,-1.3245980663,0.3814226087,0.3814226087,GGA+U,Pbcm,AB3C_oP20_57_d_c2d_d:N-O-V,20.0,AB3C_oP20_57_d_c2d_d:N-O-V +mp-1189578,VNO3,-6.7828941065,-0.3308006807,1.3752199942,1.3752199942,GGA+U,Pbcm,AB3C_oP20_57_d_c2d_d:N-O-V,20.0,AB3C_oP20_57_d_c2d_d:N-O-V +mp-1208115,V2NO5,-8.3707666312,-1.9660478036,0.03764147,0.03764147,GGA+U,C2/m,AB5C2_mC32_12_i_5i_2i:N-O-V,16.0,AB5C2_mC32_12_i_5i_2i:N-O-V +mp-1190909,V3NO8,-7.7189453804,-1.4554684783,0.5911663186,0.5911663186,GGA+U,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:N-O-V,24.0,AB8C3_mP24_11_e_2e3f_ef:N-O-V +mp-1205274,V7Sb4(NO11)2,-7.5052663902,-1.6308809917,0.5403653268,0.5403653268,GGA+U,P2_1/c,A2B22C4D7_mP140_14_2e_22e_4e_7e:N-O-Sb-V,140.0,A2B22C4D7_mP140_14_2e_22e_4e_7e:N-O-Sb-V +mp-1216776,V4NO11,-8.1637921356,-1.9709361963,0.0971713623,0.0971713623,GGA+U,Cm,AB11C4_mC32_8_a_11a_4a:N-O-V,16.0,AB11C4_mC32_8_a_11a_4a:N-O-V +mp-17455,K7Ta(SO4)6,-6.5854465287,-2.2915044621,0.0,-0.0302498223,GGA,R-3,A7B24C6D_hR114_148_af_4f_f_b:K-O-S-Ta,38.0,"Invalid WP multiplicities - A7B24C6D_hR114_148_af_5f_f_b:K-O-S-Ta, expected K7Ta(SO5)6 to be K7Ta(SO4)6" +mp-1202393,UAl4B3O14,-8.4010053782,-3.1480267145,0.069424319,0.069424319,GGA,P2_1/m,A4B3C14D_mP44_11_ac2e_3e_8e3f_e:Al-B-O-U,44.0,A4B3C14D_mP44_11_ac2e_3e_8e3f_e:Al-B-O-U +mp-972367,UAlO3,-9.212781082,-3.2373706872,0.1737771649,0.1737771649,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-U,5.0,AB3C_cP5_221_b_c_a:Al-O-U +mp-23612,K3B6BrO10,-7.4648556935,-2.7434825481000003,0.0,-0.0022537399,GGA,R3m,A6BC3D10_hR60_160_2b_a_b_abc:B-Br-K-O,20.0,"Invalid WP multiplicities - A6BC3D10_hR60_160_2b_a_b_a2bc:B-Br-K-O, expected K3B6BrO13 to be K3B6BrO10" +mp-504477,V(CO)6,-8.0883522546,-0.8471190783,0.5596577842,0.5596577842,GGA+U,Pnma,A6B6C_oP52_62_2c2d_2c2d_c:C-O-V,52.0,A6B6C_oP52_62_2c2d_2c2d_c:C-O-V +mp-1314097,V(CO3)2,-8.2970395789,-1.9391096542,0.0681609317,0.0681609317,GGA+U,P-1,A2B6C_aP36_2_4i_12i_2i:C-O-V,36.0,"Invalid WP multiplicities - A2B6C_aP36_2_8i_24i_2i:C-O-V, expected V(CO3)4 to be V(CO3)2" +mp-762249,V(CO3)2,-8.3171917367,-1.9592618119,0.0480087739,0.0480087739,GGA+U,P2_1/c,A2B6C_mP18_14_e_3e_a:C-O-V,18.0,A2B6C_mP18_14_e_3e_a:C-O-V +mp-763508,V(CO3)2,-8.3035827406,-1.9456528158,0.06161777,0.06161777,GGA+U,C2/c,A2B6C_mC36_15_f_3f_e:C-O-V,36.0,A2B6C_mC36_15_f_3f_e:C-O-V +mp-758643,V(CO3)2,-8.2785781175,-1.9206481928,0.0866223931,0.0866223931,GGA+U,Pna2_1,A2B6C_oP36_33_2a_6a_a:C-O-V,36.0,"Invalid WP multiplicities - A2B6C_oP36_33_5a_21a_a:C-O-V, expected VC5O21 to be V(CO3)2" +mp-758621,V(CO3)2,-8.3026368972,-1.9447069725,0.0625636133,0.0625636133,GGA+U,I-42d,A2B6C_tI72_122_e_3e_d:C-O-V,36.0,"Invalid WP multiplicities - A2B6C_tI72_122_e_18e_d:C-O-V, expected V(CO18)2 to be V(CO3)2" +mp-752541,V(CO3)2,-8.2900147611,-1.9320848364,0.0751857494,0.0751857494,GGA+U,R-3,A2B6C_hR27_148_c_f_a:C-O-V,36.0,A2B6C_hR27_148_c_f_a:C-O-V +mp-757524,V(CO3)2,-8.2870383722,-1.9291084475,0.0781621383,0.0781621383,GGA+U,R-3,A2B6C_hR27_148_c_f_a:C-O-V,36.0,A2B6C_hR27_148_c_f_a:C-O-V +mp-1214147,Ca5V3CO12,-7.652950216,-2.6115860427,0.2920747663,0.2920747663,GGA+U,P6_3/m,AB5C12D3_hP42_176_a_fh_2hi_h:C-Ca-O-V,42.0,AB5C12D3_hP42_176_a_fh_2hi_h:C-Ca-O-V +mp-1195436,Cd3BPO7,-6.312359645,-2.188344267,0.0,-0.0092990725,GGA,Pna2_1,AB3C7D_oP48_33_a_3a_7a_a:B-Cd-O-P,48.0,AB3C7D_oP48_33_a_3a_7a_a:B-Cd-O-P +mp-1212473,K15P16Pd9O56,-6.7678223576,-2.3209231031,0.0182043757,0.0182043757,GGA,C2/m,A15B56C16D9_mC192_12_ag2i2j_4i12j_4j_c2ij:K-O-P-Pd,96.0,A15B56C16D9_mC192_12_ag2i2j_4i12j_4j_d2ij:K-O-P-Pd +mp-1224154,K2P2PdO7,-6.7823526894,-2.3778438814,0.0,-0.0035502998,GGA,Pnma,A2B7C2D_oP48_62_2c_c3d_d_c:K-O-P-Pd,48.0,A2B7C2D_oP48_62_2c_c3d_d_c:K-O-P-Pd +mp-1224722,K14P16Pd9O56,-6.7951112958,-2.3130909854,0.0115349443,0.0115349443,GGA,Cm,A14B56C16D9_mC190_8_4a5b_8a24b_8b_5a2b:K-O-P-Pd,95.0,A14B56C16D9_mC190_8_4a5b_8a24b_8b_5a2b:K-O-P-Pd +mp-1204612,Ce4CI6N,-5.7298761635,-1.5517332354,0.0,-0.0440591015,GGA,P4_2/mnm,AB4C6D_tP48_136_f_fgj_fgk_e:C-Ce-I-N,48.0,AB4C6D_tP48_136_f_fgj_fgk_e:C-Ce-I-N +mp-573743,Ce3CI5,-5.2378636083,-1.4162230853,0.0,-0.0178438612,GGA,P-1,AB3C5_aP18_2_i_3i_5i:C-Ce-I,18.0,"Invalid WP multiplicities - AB3C5_aP18_2_i_5i_10i:C-Ce-I, expected Ce5CI10 to be Ce3CI5" +mp-568922,Ce7C3I10,-5.5117414123,-1.3141772091,0.0,-0.0050699577,GGA,P-1,A3B7C10_aP40_2_3i_7i_10i:C-Ce-I,40.0,"Invalid WP multiplicities - A3B7C10_aP40_2_5i_13i_18i:C-Ce-I, expected Ce13C5I18 to be Ce7C3I10" +mp-684020,Ce12C6I17,-5.621344396,-1.2894503741,0.0,-0.0109950681,GGA,C2/c,A6B12C17_mC140_15_3f_6f_a8f:C-Ce-I,70.0,"Invalid WP multiplicities - A6B12C17_mC140_15_9f_21f_c30f:C-Ce-I, expected Ce42C18I61 to be Ce12C6I17" +mp-1106104,AlI3N5,-4.503922815,1.0347604633,1.6173767707,1.6173767707,GGA,Cmcm,AB3C5_oC36_63_c_ce_cfg:Al-I-N,18.0,AB3C5_oC36_63_c_ce_cfg:Al-I-N +mp-1214899,AlI3N5,-4.3387920300000005,1.1998912483,1.7825075557,1.7825075557,GGA,Cmcm,AB3C5_oC36_63_c_ce_cfg:Al-I-N,18.0,AB3C5_oC36_63_c_ce_cfg:Al-I-N +mp-1182993,AlC7IN,-6.900299819,0.9153097363,1.2674608636,1.2674608636,GGA,Iba2,AB7CD_oI80_45_c_7c_c_c:Al-C-I-N,40.0,AB7CD_oI80_45_c_7c_c_c:Al-C-I-N +mp-1237219,AlI3N7,-5.2539354702,0.7934408348,1.3163360393,1.3163360393,GGA,Pnma,AB3C7_oP44_62_c_3c_3c2d:Al-I-N,44.0,AB3C7_oP44_62_c_3c_3c2d:Al-I-N +mp-1046747,MgVSF5,-5.715408945,-2.668155092,0.3789018459,0.3789018459,GGA+U,P1,A5BCD_aP16_1_10a_2a_2a_2a:F-Mg-S-V,16.0,A5BCD_aP16_1_10a_2a_2a_2a:F-Mg-S-V +mp-1372453,MgVF5,-6.3208641207,-3.4292096982,0.0531410879,0.0531410879,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-V,28.0,A5BC_mP28_14_5e_e_e:F-Mg-V +mp-1388832,MgVF5,-6.3395334986,-3.4478790761,0.03447171,0.03447171,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-V,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_a:F-Mg-V, expected MgVF7 to be MgVF5" +mp-1446092,MgVF6,-6.0654173663,-3.2962848756,0.0159780931,0.0159780931,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mg-V,8.0,A6BC_hR24_148_f_a_b:F-Mg-V +mp-1443628,MgVF4,-6.3729571342,-3.3179401358,0.0967430575,0.0967430575,GGA+U,P-1,A4BC_aP12_2_4i_i_ae:F-Mg-V,12.0,"Invalid WP multiplicities - A4BC_aP12_2_8i_i_ae:F-Mg-V, expected MgVF8 to be MgVF4" +mp-557744,NaUBO5,-8.6604241656,-3.1570778368,0.0,-0.0064463184,GGA,Pbcm,ABC5D_oP32_57_d_c_3de_d:B-Na-O-U,32.0,"Invalid WP multiplicities - ABC5D_oP32_57_d_c_12d7e_d:B-Na-O-U, expected NaUBO26 to be NaUBO5" +mp-1201797,NaU(B2O5)3,-7.927780952,-2.4107976216,0.2291416888,0.2291416888,GGA,Cc,A6BC15D_mC92_9_6a_a_15a_a:B-Na-O-U,46.0,A6BC15D_mC92_9_6a_a_15a_a:B-Na-O-U +mp-556206,Rb3Y2(BO3)3,-7.7552569409,-3.0239088139,0.0,-0.0043141174,GGA,Pna2_1,A3B9C3D2_oP68_33_3a_9a_3a_2a:B-O-Rb-Y,68.0,"Invalid WP multiplicities - A3B9C3D2_oP68_33_8a_35a_9a_5a:B-O-Rb-Y, expected Rb9Y5B8O35 to be Rb3Y2(BO3)3" +mp-561210,UV2PbO9,-8.6229684727,-2.6466555787,0.0,-0.0017033624,GGA+U,P2_1/c,A9BCD2_mP52_14_9e_e_e_2e:O-Pb-U-V,52.0,"Invalid WP multiplicities - A9BCD2_mP52_14_33e_e_e_5e:O-Pb-U-V, expected UV5PbO33 to be UV2PbO9" +mp-683955,KTaPS6,-5.8792625528,-1.0792427434,0.0,-0.0125919687,GGA,P2_1/c,ABC6D_mP144_14_4e_4e_24e_4e:K-P-S-Ta,144.0,"Invalid WP multiplicities - ABC6D_mP144_14_15e_12e_92e_14e:K-P-S-Ta, expected K15Ta14(P3S23)4 to be KTaPS6" +mp-680237,K10Th3(P5S18)2,-5.2188311051,-1.2122076391,0.0,-0.0311862117,GGA,C2/c,A10B10C36D3_mC236_15_5f_5f_18f_ef:K-P-S-Th,118.0,"Invalid WP multiplicities - A10B10C36D3_mC236_15_17f_19f_70f_2e3f:K-P-S-Th, expected K17Th4P19S70 to be K10Th3(P5S18)2" +mp-628680,K5Th(PS4)3,-5.0582553992,-1.3038192607,0.0,-0.013772296,GGA,P2_1/c,A5B3C12D_mP84_14_5e_3e_12e_e:K-P-S-Th,84.0,"Invalid WP multiplicities - A5B3C12D_mP84_14_17e_10e_45e_e:K-P-S-Th, expected K17Th(P2S9)5 to be K5Th(PS4)3" +mp-561186,Sm3BWO9,-8.9455168436,-3.3516969288,0.0,-0.0061755425,GGA+U,P6_3,AB9C3D_hP28_173_a_3c_c_b:B-O-Sm-W,28.0,"Invalid WP multiplicities - AB9C3D_hP28_173_a_9c_c_b:B-O-Sm-W, expected Sm3BWO27 to be Sm3BWO9" +mp-1198126,NaUP3O11,-8.0950678264,-2.890854161,0.0,-0.0676322843,GGA,P2_1/c,AB11C3D_mP64_14_e_11e_3e_e:Na-O-P-U,64.0,AB11C3D_mP64_14_e_11e_3e_e:Na-O-P-U +mp-15385,Na2UP2O9,-7.9057348921,-2.9569303199,0.0,-0.0376451125,GGA,Pna2_1,A2B9C2D_oP56_33_2a_9a_2a_a:Na-O-P-U,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_33_3a_9a_6a_a:Na-O-P-U, expected Na3U(P2O3)3 to be Na2UP2O9" +mp-1031939,YMg6BO8,-6.447515,-2.5524491954,0.5258161625000001,0.5258161625000001,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-Y, expected YMg6BO12 to be YMg6BO8" +mp-1031931,YMg6BO8,-6.4960283431,-2.6009625385,0.4773028194,0.4773028194,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-Y, expected YMg6BO12 to be YMg6BO8" +mp-1027987,YMg14B,-2.0992806344,0.1225808396,0.2057785796,0.2057785796,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Y, expected YMg18B to be YMg14B" +mp-1027937,YMg14B,-2.0454426306,0.1764188434,0.2596165833,0.2596165833,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Y, expected YMg26B to be YMg14B" +mp-1037433,YMg30BO32,-6.3556401223,-2.9267603857,0.1333361783,0.1333361783,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-Y, expected YMg90BO80 to be YMg30BO32" +mp-1037198,YMg30BO32,-6.3599696919,-2.9310899552,0.1290066088,0.1290066088,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-Y, expected YMg110BO72 to be YMg30BO32" +mp-1022631,YMg6B,-2.5622815956,0.2811613024,0.4232263724,0.4232263724,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Y, expected YMg12B to be YMg6B" +mp-1022629,YMg6B,-2.606960715,0.236482183,0.378547253,0.378547253,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Y, expected YMg12B to be YMg6B" +mp-1035858,YMg14BO16,-6.3835395941,-2.7992645014,0.2668883272,0.2668883272,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-Y, expected YMg18BO20 to be YMg14BO16" +mp-1035864,YMg14BO16,-6.3909138706,-2.806638778,0.2595140506,0.2595140506,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-Y, expected YMg30BO32 to be YMg14BO16" +mp-775210,Sb3P6WO24,-7.5376272547,-2.3451131941,0.0333563404,0.0333563404,GGA+U,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-Sb-W,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-Sb-W, expected Sb3P6WO60 to be Sb3P6WO24" +mp-775007,SbP6(WO8)3,-8.1404945721,-2.4286199826,0.036925271,0.036925271,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Sb-W,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-Sb-W, expected SbP6(WO20)3 to be SbP6(WO8)3" +mp-1194912,YV(TeO4)2,-7.4108634608,-2.2933219058,0.0504897202,0.0504897202,GGA+U,Cmce,A8B2CD_oC96_64_e3f2g_2f_e_d:O-Te-V-Y,48.0,"Invalid WP multiplicities - A8B2CD_oC96_64_e6f4g_3f_e_d:O-Te-V-Y, expected YV(TeO5)3 to be YV(TeO4)2" +mp-1201529,VB(PbO2)4,-7.0406437107,-2.0272582957,0.0,-0.0028117336,GGA+U,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:B-O-Pb-V,56.0,AB8C4D_mP56_14_e_8e_4e_e:B-O-Pb-V +mp-1290983,Li4Y3VO8,-7.7557300988,-3.0249475633,0.0427173523,0.0427173523,GGA+U,C2,A4B8CD3_mC32_5_abc_2a2b2c_a_bc:Li-O-V-Y,32.0,"Invalid WP multiplicities - A4B8CD3_mC32_5_abc_2a2b4c_a_bc:Li-O-V-Y, expected Li4Y3VO12 to be Li4Y3VO8" +mp-756980,Li4Y3VO8,-7.7540638591,-3.0232813236,0.044383592,0.044383592,GGA+U,C222,A4B8CD3_oC32_21_ack_efl_b_dk:Li-O-V-Y,64.0,A4B8CD3_oC32_21_ack_efl_b_dk:Li-O-V-Y +mp-1218554,Sr7Y6OF30,-6.8898788402,-4.3235984177,0.0,-0.0024219618,GGA,R3,A30BC7D6_hR132_146_10b_a_a2b_2b:F-O-Sr-Y,44.0,A30BC7D6_hR132_146_10b_a_a2b_2b:F-O-Sr-Y +mp-1190192,RbI(OF)2,-4.5684960038,-1.8734567071,0.0,-0.125587445,GGA,Pca2_1,A2BC2D_oP24_29_2a_a_2a_a:F-I-O-Rb,24.0,A2BC2D_oP24_29_2a_a_2a_a:F-I-O-Rb +mp-1194766,CaH24(IN4)2,-4.9757504106,-0.6023299232,0.0,-0.0506061349,GGA,Pnma,AB24C2D8_oP140_62_c_2c11d_2c_2c3d:Ca-H-I-N,140.0,AB24C2D8_oP140_62_c_2c11d_2c_2c3d:Ca-H-I-N +mp-24204,CaHI,-3.608202205,-1.3176381133,0.0,-0.0165409733,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ca-H-I,6.0,ABC_tP6_129_c_a_c:Ca-H-I +mp-1214100,Ca2HI2,-2.530377516,-0.460245815,0.908789684,0.908789684,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ca-H-I,5.0,A2BC2_tP5_123_g_a_g:Ca-H-I +mp-752849,Y2Pb2O7,-7.5353938973,-2.5367523204,0.0,-0.0220806265,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pb-Y,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pb-Y, expected YPbO10 to be Y2Pb2O7" +mp-621825,Y6Pb8OF32,-6.3856431287,-3.5215150668,0.0124472519,0.0124472519,GGA,R-3,A32BC8D6_hR141_148_c5f_a_cf_f:F-O-Pb-Y,47.0,"Invalid WP multiplicities - A32BC8D6_hR141_148_2c25f_a_2c3f_f:F-O-Pb-Y, expected Y6Pb22OF154 to be Y6Pb8OF32" +mp-38916,Y3Pb4F17,-6.347414715,-3.5663670455,0.0,-0.0111757436,GGA,P1,A17B4C3_aP48_1_34a_8a_6a:F-Pb-Y,48.0,A17B4C3_aP48_1_34a_8a_6a:F-Pb-Y +mp-1224033,Hg2IN,-2.4142981688000003,0.1900073325,0.4525468491,0.4525468491,GGA,P6_3/mmc,A2BC_hP16_194_cg_bd_f:Hg-I-N,16.0,A2BC_hP16_194_cg_bd_f:Hg-I-N +mp-1224643,HgI3N,-2.350400423,0.261654445,0.6903312236,0.6903312236,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Hg-I-N,20.0,AB3C_mP20_14_e_3e_e:Hg-I-N +mp-1200918,HgS2(IN2)2,-3.9063433289,1.0791336154,1.3834328688,1.3834328688,GGA,P4_2/nmc,AB2C4D2_tP36_137_d_g_fg_g:Hg-I-N-S,36.0,AB2C4D2_tP36_137_d_g_fg_g:Hg-I-N-S +mp-1200893,HgSN3,-4.5307556355,1.3591673659,1.5107712415,1.5107712415,GGA,Pbca,AB3C_oP40_61_c_3c_c:Hg-N-S,40.0,AB3C_oP40_61_c_3c_c:Hg-N-S +mp-1203431,Dy5B2(O2F3)3,-7.821662168,-4.0363821354,0.0039213701,0.0039213701,GGA,C2/c,A2B5C9D6_mC88_15_f_e2f_e4f_3f:B-Dy-F-O,44.0,A2B5C9D6_mC88_15_f_e2f_e4f_3f:B-Dy-F-O +mp-1196433,Dy4B4O11F2,-8.4866958086,-3.5637792275,0.0308311286,0.0308311286,GGA,C2/c,A4B4C2D11_mC84_15_2f_2f_f_e5f:B-Dy-F-O,42.0,A4B4C2D11_mC84_15_2f_2f_f_e5f:B-Dy-F-O +mp-1111367,K2TlVF6,-5.328602205,-2.8149801134,0.1033328846,0.1033328846,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Tl-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Tl-V +mp-725908,KU2Cl2O9,-7.0126577157,-1.8761940951,0.6366458917000001,0.6366458917000001,GGA,P-1,A2BC9D2_aP28_2_2i_i_9i_2i:Cl-K-O-U,28.0,A2BC9D2_aP28_2_2i_i_9i_2i:Cl-K-O-U +mp-28496,K2UCl5,-5.0993274316,-2.2549660311,0.0,-0.0417492778,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-U,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-U +mp-1095429,KUClO3,-7.9962508483,-3.1478488899,0.0136515467,0.0136515467,GGA,P2_1/m,ABC3D_mP12_11_e_e_3e_e:Cl-K-O-U,12.0,ABC3D_mP12_11_e_e_3e_e:Cl-K-O-U +mp-556852,WXeOF6,-5.319154175,-2.0513911843,0.1352661268,0.1352661268,GGA+U,P2_1/c,A6BCD_mP36_14_6e_e_e_e:F-O-W-Xe,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_21e_e_e_e:F-O-W-Xe, expected WXeOF21 to be WXeOF6" +mp-1220061,P3Pb5O12F,-6.9399718114,-2.3649772223,0.0090972426,-0.0041432723,GGA,P6_3,AB12C3D5_hP42_173_a_4c_c_2bc:F-O-P-Pb,42.0,AB12C3D5_hP42_173_a_4c_c_2bc:F-O-P-Pb +mp-21554,P3Pb5O12F,-6.949069054,-2.3740744649,0.0,-0.0132405149,GGA,P6_3/m,AB12C3D5_hP42_176_a_2hi_h_fh:F-O-P-Pb,42.0,"Invalid WP multiplicities - AB12C3D5_hP42_176_a_9h6i_h_3f2h:F-O-P-Pb, expected P3Pb12O63F to be P3Pb5O12F" +mp-24074,Dy(HO)3,-6.4791980436,-2.2470507423,0.0094284962,0.0094284962,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Dy-H-O,14.0,AB3C3_hP14_176_c_h_h:Dy-H-O +mp-777422,DyHO2,-7.4525900737,-2.9793674969,0.0079306553,0.0079306553,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Dy-H-O,8.0,"Invalid WP multiplicities - ABC2_oP8_31_a_a_4a:Dy-H-O, expected DyHO4 to be DyHO2" +mp-755659,DyHO2,-7.4593024144,-2.9860798375,0.0012183147,0.0012183147,GGA,Pnma,ABC2_oP16_62_c_c_2c:Dy-H-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_5c:Dy-H-O, expected DyHO5 to be DyHO2" +mp-755252,DyHO2,-7.387198425,-2.9139758481,0.0733223041,0.0733223041,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Dy-H-O,8.0,ABC2_hP8_194_a_c_f:Dy-H-O +mp-24831,DyH4I3O11,-5.4810293853,-1.4277996014,0.0050810572,0.0050810572,GGA,P-1,AB4C3D11_aP38_2_i_4i_3i_11i:Dy-H-I-O,38.0,"Invalid WP multiplicities - AB4C3D11_aP38_2_i_5i_3i_14i:Dy-H-I-O, expected DyH5I3O14 to be DyH4I3O11" +mp-1219843,PuU3(W2C3)2,-11.1167024771,-0.0205180318,0.2430267707,0.2430267707,GGA,Pm,A6BC3D4_mP14_6_3a3b_a_a2b_2a2b:C-Pu-U-W,14.0,A6BC3D4_mP14_6_3a3b_a_a2b_2a2b:C-Pu-U-W +mp-1025268,Pu2W2C3,-11.87142926,-0.1374387461,0.0212080971,0.0212080971,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Pu-W,7.0,A3B2C2_mC14_12_ai_i_i:C-Pu-W +mp-1078325,Pu2W2C3,-11.7217225514,0.0122679625,0.1709148057,0.1709148057,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Pu-W,7.0,A3B2C2_mC14_12_ai_i_i:C-Pu-W +mp-1219685,PuUC2,-11.1003554275,-0.0962105963,0.0,-0.0070174317,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Pu-U,4.0,A2BC_hR12_166_c_a_b:C-Pu-U +mp-1188092,PuWC2,-11.60591287,-0.1850879837,0.0,-0.0648290809,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Pu-W,16.0,A2BC_oP16_62_2c_c_c:C-Pu-W +mp-652608,UWC2,-10.9841867425,-0.3074689363,0.0,-0.1828273864,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-U-W,16.0,A2BC_oP16_62_2c_c_c:C-U-W +mp-20270,UWC2,-10.43435998,0.2423578263,0.5498267625000001,0.3669993761,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-U-W,16.0,A2BC_oP16_62_2c_c_c:C-U-W +mp-1179553,U(WC)2,-9.695096349,1.4379039420000002,1.683879091,1.683879091,GGA,I4/mmm,A2BC2_tI20_139_i_c_h:C-U-W,20.0,A2BC2_tI20_139_i_c_h:C-U-W +mp-672676,U(WC)4,-11.2407956694,-0.1253964583,0.0653440794,0.0653440794,GGA,P4/m,A4BC4_tP18_83_jk_ad_jk:C-U-W,18.0,"Invalid WP multiplicities - A4BC4_tP18_83_2j2k_ad_2j3k:C-U-W, expected U(W5C4)2 to be U(WC)4" +mp-1189752,U(WC)4,-11.2352733378,-0.1198741267,0.0708664111,0.0708664111,GGA,P4/m,A4BC4_tP18_83_jk_ad_jk:C-U-W,18.0,A4BC4_tP18_83_jk_ad_jk:C-U-W +mp-1025264,U2W2C3,-11.0072206086,-0.1236381861,0.1399066164,0.1399066164,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-U-W,7.0,A3B2C2_mC14_12_ai_i_i:C-U-W +mp-1219737,PuU4C5,-10.506759085,0.0509214982,0.163690545,0.163690545,GGA,R-3m,A5BC4_hR30_166_a2c_b_2c:C-Pu-U,10.0,"Invalid WP multiplicities - A5BC4_hR30_166_a4c_b_3c:C-Pu-U, expected Pu(U2C3)3 to be PuU4C5" +mp-1219701,PuUC3,-10.7394964295,-0.090447466,0.0,-0.0061488235,GGA,I2_13,A3BC_cI40_199_2b_a_a:C-Pu-U,20.0,"Invalid WP multiplicities - A3BC_cI40_199_6b_a_a:C-Pu-U, expected PuUC9 to be PuUC3" +mp-1204818,K4Th(S2O9)2,-6.4767363509,-2.1270455988,0.1125284165,0.1125284165,GGA,P-1,A4B18C4D_aP54_2_ae3i_18i_4i_i:K-O-S-Th,54.0,A4B18C4D_aP54_2_ae3i_18i_4i_i:K-O-S-Th +mp-973960,KScO3,-6.798047294,-2.3414604568,0.2033215573,0.2033215573,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Sc,5.0,AB3C_cP5_221_a_c_b:K-O-Sc +mp-8188,KScO2,-7.433075955,-3.0990145864,0.0,-0.1499735814,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Sc,4.0,AB2C_hR12_166_a_c_b:K-O-Sc +mp-1211342,KSc(SO4)2,-7.1192964725,-2.5118566829,0.0,-0.0193553868,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:K-O-S-Sc,12.0,AB8C2D_mC24_12_a_2ij_i_d:K-O-S-Sc +mp-1211344,KSc(SO4)2,-7.0950266892,-2.4875868995,0.0242697833,0.0049143966,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:K-O-S-Sc,12.0,AB8C2D_hP12_150_a_dg_d_b:K-O-S-Sc +mp-561272,Nd3BWO9,-8.9342135375,-3.3297733447,0.0,-0.0098514423,GGA+U,P6_3,AB3C9D_hP28_173_a_c_3c_b:B-Nd-O-W,28.0,"Invalid WP multiplicities - AB3C9D_hP28_173_a_c_16c_b:B-Nd-O-W, expected Nd3BWO48 to be Nd3BWO9" +mp-1213769,Cr3B7O13F,-8.5826635775,-2.6687753684,0.0,-0.0243797253,GGA+U,F-43c,A7B3CD13_cF192_219_ce_d_a_bh:B-Cr-F-O,48.0,A7B3CD13_cF192_219_ce_d_a_bh:B-Cr-F-O +mp-1213335,CsY(WO4)2,-8.7114390017,-2.6404686987,0.0,-0.0186740467,GGA+U,C2/c,AB8C2D_mC48_15_e_4f_f_e:Cs-O-W-Y,24.0,AB8C2D_mC48_15_e_4f_f_e:Cs-O-W-Y +mp-1195305,K4Ge(PS3)4,-4.7734683164,-0.9470286939,0.0,-0.0120876369,GGA,C2/c,AB4C4D12_mC84_15_e_2f_2f_6f:Ge-K-P-S,42.0,AB4C4D12_mC84_15_e_2f_2f_6f:Ge-K-P-S +mp-1203501,YbHSO5,-6.3774774052,-2.1521989366,0.0266968081,0.0266968081,GGA,P2_1/c,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Yb,,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Yb +mp-570607,Dy5C2I9,-4.8831753531,-1.4612027072,0.0,-0.0049360531,GGA,P2_1/c,A2B5C9_mP64_14_2e_5e_9e:C-Dy-I,64.0,"Invalid WP multiplicities - A2B5C9_mP64_14_8e_17e_35e:C-Dy-I, expected Dy17C8I35 to be Dy5C2I9" +mp-567858,Dy12C6I17,-5.2138062374,-1.3366444379,0.0093917539,0.0093917539,GGA,C2/c,A6B12C17_mC140_15_3f_6f_a8f:C-Dy-I,70.0,"Invalid WP multiplicities - A6B12C17_mC140_15_10f_22f_2c28f:C-Dy-I, expected Dy22C10I29 to be Dy12C6I17" +mp-1225760,Dy2CI3,-5.1878556925,-1.3774659888,0.0,-0.0216243032,GGA,P2_1/c,AB2C3_mP48_14_2e_4e_6e:C-Dy-I,48.0,"Invalid WP multiplicities - AB2C3_mP48_14_2e_10e_18e:C-Dy-I, expected Dy5CI9 to be Dy2CI3" +mp-753153,Dy2CO5,-8.6600488975,-3.2630885564,0.00064538,-0.0926816875,GGA,Ama2,AB2C5_oC32_40_b_c_b2c:C-Dy-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_40_b_c_2b4c:C-Dy-O, expected Dy2CO10 to be Dy2CO5" +mp-1225362,Dy2CO5,-8.6606942775,-3.2637339364,0.0,-0.0933270675,GGA,Cmcm,AB2C5_oC32_63_c_f_c2f:C-Dy-O,16.0,AB2C5_oC32_63_c_f_c2f:C-Dy-O +mp-1201241,Dy7C2I12O,-5.0454665277,-1.7121972652,0.0,-0.0379248879,GGA,P-1,A2B7C12D_aP44_2_2i_7i_12i_i:C-Dy-I-O,44.0,A2B7C12D_aP44_2_2i_7i_12i_i:C-Dy-I-O +mp-1192202,DyCO4,-8.0892571704,-2.4855559742,0.132852633,0.132852633,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-Dy-O,24.0,ABC4_oP24_19_a_a_4a:C-Dy-O +mp-1200026,DyCO4,-8.1351191731,-2.5314179768,0.0869906304,0.0869906304,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Dy-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Dy-O +mp-1198519,LiY(CN2)2,-8.4412660259,-0.9189279428,0.0232256578,0.0232256578,GGA,Pbcn,A2BC4D_oP32_60_d_c_2d_c:C-Li-N-Y,32.0,A2BC4D_oP32_60_d_c_2d_c:C-Li-N-Y +mp-972448,SmBS3,-6.2972980275,-1.5358325262,0.0154988095,0.0154988095,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:B-S-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_33_a_7a_a:B-S-Sm, expected SmBS7 to be SmBS3" +mp-1105337,Sm3B(SO)3,-7.740605337,-2.932148746,0.0,-0.0039731785,GGA,P-1,AB3C3D3_aP20_2_i_3i_3i_3i:B-O-S-Sm,20.0,AB3C3D3_aP20_2_i_3i_3i_3i:B-O-S-Sm +mp-1208034,U2NiC3,-9.4969925575,-0.1555003613,0.0,-0.0054676178,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:C-Ni-U,24.0,A3BC2_oP24_62_3c_c_2c:C-Ni-U +mp-1025123,UNi2B2C,-7.9529147467,-0.3797260126,0.0,-0.0062317926,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-U,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-U +mp-1087542,UNiC2,-8.9965697425,-0.1143503238,0.0331948288,0.0331948288,GGA,P4/nmm,A2BC_tP8_129_2c_a_c:C-Ni-U,8.0,A2BC_tP8_129_2c_a_c:C-Ni-U +mp-1221393,MoWC2,-10.667531565,-0.1022537338,0.0008007766,0.0008007766,GGA,Pmm2,A2BC_oP4_25_ab_c_d:C-Mo-W,4.0,A2BC_oP4_25_ab_c_d:C-Mo-W +mp-1228637,BMoW,-10.4548567017,-0.2937993314,0.0410238817,0.0410238817,GGA,Fmmm,ABC_oF24_69_f_g_h:B-Mo-W,6.0,ABC_oF24_69_f_g_h:B-Mo-W +mp-1228641,BMoWC,-10.102168685,-0.1742092842,0.1377567625,0.1377567625,GGA,Cmcm,ABCD_oC16_63_c_c_c_c:B-C-Mo-W,8.0,ABCD_oC16_63_c_c_c_c:B-C-Mo-W +mp-1221524,Mo2W2C3,-10.63620237,0.1200200811,0.2377966643,0.2377966643,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:C-Mo-W,,A3B2C2_mC14_12_ai_i_i:C-Mo-W +mp-1194824,BiB12H11O3,-5.1250045908,-0.0822918868,0.5827728101,0.5827728101,GGA,Pnma,A12BC11D3_oP108_62_4c4d_c_3c4d_cd:B-Bi-H-O,108.0,A12BC11D3_oP108_62_4c4d_c_3c4d_cd:B-Bi-H-O +mp-1202291,BiB4(HO3)3,-7.2969581491,-2.2818738697,0.0015167494,0.0015167494,GGA,P1,A4BC3D9_aP34_1_8a_2a_6a_18a:B-Bi-H-O,34.0,A4BC3D9_aP34_1_8a_2a_6a_18a:B-Bi-H-O +mp-1200581,Bi2B3HO8,-7.3388231657,-2.2898667866,0.0048694904,0.0048694904,GGA,Pbca,A3B2CD8_oP112_61_3c_2c_c_8c:B-Bi-H-O,112.0,A3B2CD8_oP112_61_3c_2c_c_8c:B-Bi-H-O +mp-556192,C4O5F6,-6.7195953525,-1.8451300637,0.1314791188,0.1314791188,GGA,P2_1/c,A4B6C5_mP60_14_4e_6e_5e:C-F-O,60.0,"Invalid WP multiplicities - A4B6C5_mP60_14_15e_21e_15e:C-F-O, expected C5O5F7 to be C4O5F6" +mp-1214145,C3OF2,-7.055033125,-0.9790926044,0.3730243925,0.3730243925,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:C-F-O,24.0,A3B2C_mP24_14_3e_2e_e:C-F-O +mp-29479,C2(OF2)3,-5.5693457464,-1.4996847533,0.2300492602,0.2300492602,GGA,P-1,A2B6C3_aP22_2_2i_6i_3i:C-F-O,22.0,A2B6C3_aP22_2_2i_6i_3i:C-F-O +mp-1191329,TmCO4,-8.0760547929,-2.4941788328,0.0966192591,0.0966192591,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:C-O-Tm,24.0,AB4C_oP24_19_a_4a_a:C-O-Tm +mp-1200742,TmCO4,-8.1252288498,-2.5433528897,0.0474452022,0.0474452022,GGA,P4_2/nmc,AB4C_tP48_137_g_2gh_f:C-O-Tm,48.0,AB4C_tP48_137_g_2gh_f:C-O-Tm +mp-31306,C2O3F2,-7.0558980612,-1.7529901964,0.1646860573,0.1646860573,GGA,P2_12_12_1,A2B2C3_oP56_19_4a_4a_6a:C-F-O,56.0,A2B2C3_oP56_19_4a_4a_6a:C-F-O +mp-645279,C68OF20,-7.8693548381,-0.3331130229,0.3098912101,0.3098912101,GGA,P-1,A68B20C_aP178_2_68i_20i_i:C-F-O,178.0,"Invalid WP multiplicities - A68B20C_aP178_2_134i_40i_i:C-F-O, expected C134OF40 to be C68OF20" +mp-1197080,TmC6(OF)9,-6.5183781184,-1.6555246189,0.6149611816,0.6149611816,GGA,P2_1/c,A6B9C9D_mP100_14_6e_9e_9e_e:C-F-O-Tm,100.0,A6B9C9D_mP100_14_6e_9e_9e_e:C-F-O-Tm +mp-6462,VAg(PS3)2,-5.4369020945,-0.6807254657,0.0048144019,0.0048144019,GGA,P2/c,AB2C6D_mP20_13_e_g_3g_e:Ag-P-S-V,20.0,"Invalid WP multiplicities - AB2C6D_mP20_13_e_g_7g_e:Ag-P-S-V, expected VAg(PS7)2 to be VAg(PS3)2" +mp-558415,K3CuP2S7,-4.6517675608,-1.0200631306,0.0,-0.0259579687,GGA,P2_1/c,AB3C2D7_mP52_14_e_3e_2e_7e:Cu-K-P-S,52.0,"Invalid WP multiplicities - AB3C2D7_mP52_14_e_9e_4e_24e:Cu-K-P-S, expected K9Cu(PS6)4 to be K3CuP2S7" +mp-559644,K2Cu(PS3)3,-4.8278507293,-0.8419866703000001,0.0,-0.0257145477,GGA,P2_1/c,AB2C3D9_mP60_14_e_2e_3e_9e:Cu-K-P-S,60.0,"Invalid WP multiplicities - AB2C3D9_mP60_14_e_3e_10e_35e:Cu-K-P-S, expected K3Cu(P2S7)5 to be K2Cu(PS3)3" +mp-1037229,YMg30CO32,-6.3510188383,-2.8823066998,0.1599780782,0.1599780782,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Y, expected YMg110CO72 to be YMg30CO32" +mp-1037241,YMg30CO32,-6.3493435934,-2.8806314549,0.1616533231,0.1616533231,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Y, expected YMg90CO80 to be YMg30CO32" +mp-1028022,YMg14C,-2.1970048512,0.1841862304,0.2455866536,0.2455866536,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Y, expected YMg18C to be YMg14C" +mp-1027947,YMg14C,-2.1048572337,0.2763338479,0.3377342711,0.3377342711,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Y, expected YMg26C to be YMg14C" +mp-1035896,YMg14CO16,-6.3845747372,-2.7206348408,0.3098944158,0.3098944158,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Y, expected YMg18CO20 to be YMg14CO16" +mp-1035851,YMg14CO16,-6.3814820666,-2.7175421701,0.3129870864,0.3129870864,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Y, expected YMg30CO32 to be YMg14CO16" +mp-1031965,YMg6CO8,-6.4890691481000005,-2.4346737359,0.5723444779,0.5723444779,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Y, expected YMg6CO12 to be YMg6CO8" +mp-1031975,YMg6CO8,-6.4424671206,-2.3880717084,0.6189465054000001,0.6189465054000001,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Y, expected YMg6CO12 to be YMg6CO8" +mp-1022684,YMg6C,-2.7727310988,0.3893710145,0.4878414512,0.4878414512,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Y,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Y +mp-1022713,YMg6C,-2.8114001025,0.3507020107,0.4491724474,0.4491724474,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:C-Mg-Y +mp-1245546,W(C2N3)3,-8.7656946087,0.1942164856,0.2953288212,0.2953288212,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-W,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-W +mp-1192781,W(C3N2)2,-8.00379582,1.2394862605,1.3865587486,1.3865587486,GGA,P2_1/m,A6B4C_mP22_11_2e2f_2ef_e:C-N-W,22.0,A6B4C_mP22_11_2e2f_2ef_e:C-N-W +mp-1246822,W2(CN2)3,-9.4451247236,-0.0250132248,0.2691317516,0.2691317516,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-W,22.0,A3B6C2_hR66_167_e_f_c:C-N-W +mp-1217122,Ti3WC3N,-9.8571257125,-0.7737385022000001,0.1550798556,0.1550798556,GGA,R3m,A3BC3D_hR24_160_3a_a_3a_a:C-N-Ti-W,8.0,A3BC3D_hR24_160_3a_a_3a_a:C-N-Ti-W +mp-1246544,TiWN3,-9.9547469875,-0.7821255832,0.3002355365,0.3002355365,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-Ti-W,20.0,A3BC_aP20_2_6i_2i_2i:N-Ti-W +mp-555903,Al(IO3)3,-5.3671204427,-1.3143609595,0.0,-0.0222867497,GGA,P6_3,AB3C9_hP26_173_b_c_3c:Al-I-O,26.0,"Invalid WP multiplicities - AB3C9_hP26_173_b_c_12c:Al-I-O, expected Al(IO12)3 to be Al(IO3)3" +mp-1182904,AlI2NO15,-4.93336135,-0.237091133,0.6364733701,0.6364733701,GGA,P321,AB2CD15_hP19_150_b_d_a_e2g:Al-I-N-O,19.0,AB2CD15_hP19_150_b_d_a_e2g:Al-I-N-O +mp-1214837,AlIO,-5.6762036383000005,-2.2876600079,0.0578252675,0.0578252675,GGA,Pca2_1,ABC_oP12_29_a_a_a:Al-I-O,12.0,ABC_oP12_29_a_a_a:Al-I-O +mp-1215830,YVFe11H,-8.1026193107,-0.0945238437,0.0387088118,0.0387088118,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-H-V-Y,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-H-V-Y +mp-1207771,Y2Fe17H3,-7.6793496364,-0.0838277758,0.0889350689,0.0889350689,GGA,P6_3/mmc,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Y,44.0,A17B3C2_hP44_194_fgjk_h_bc:Fe-H-Y +mp-652220,PBr2N,-4.9376797925,-0.7237162696,0.0004904094,-0.0033562658,GGA,P-1,A2BC_aP40_2_10i_5i_5i:Br-N-P,40.0,"Invalid WP multiplicities - A2BC_aP40_2_20i_9i_9i:Br-N-P, expected P9Br20N9 to be PBr2N" +mp-23457,PBr2N,-4.9341305992,-0.7201670763,0.0040396027,0.0001929276,GGA,Pnma,A2BC_oP48_62_2c2d_cd_cd:Br-N-P,48.0,A2BC_oP48_62_2c2d_cd_cd:Br-N-P +mp-570315,PBr2N,-4.9381702019,-0.724206679,0.0,-0.0038466751,GGA,P4_2/n,A2BC_tP32_86_2g_g_g:Br-N-P,32.0,"Invalid WP multiplicities - A2BC_tP32_86_9g_g_g:Br-N-P, expected PBr9N to be PBr2N" +mp-559366,PBrNF,-5.6806099863,-1.377033804,0.0143186347,0.0143186347,GGA,Cmc2_1,ABCD_oC48_36_ab_ab_ab_ab:Br-F-N-P,24.0,"Invalid WP multiplicities - ABCD_oC48_36_2a2b_2a2b_a2b_2a2b:Br-F-N-P, expected P6Br6N5F6 to be PBrNF" +mp-554776,PNF2,-6.4450027288000005,-2.0518138871,0.0066843112,-0.0892126215,GGA,P2_1/c,A2BC_mP80_14_10e_5e_5e:F-N-P,80.0,"Invalid WP multiplicities - A2BC_mP80_14_39e_18e_16e:F-N-P, expected P16(N6F13)3 to be PNF2" +mp-31489,PNF2,-6.4466457875,-2.0534569458,0.0050412525,-0.0908556802,GGA,P2_1/c,A2BC_mP32_14_4e_2e_2e:F-N-P,32.0,"Invalid WP multiplicities - A2BC_mP32_14_6e_3e_2e:F-N-P, expected P2(NF2)3 to be PNF2" +mp-555292,PNF2,-6.4478995088,-2.0547106671,0.0037875313,-0.0921094015,GGA,P2_1/c,A2BC_mP32_14_4e_2e_2e:F-N-P,32.0,"Invalid WP multiplicities - A2BC_mP32_14_11e_4e_5e:F-N-P, expected P5N4F11 to be PNF2" +mp-555443,PNF2,-6.4463866549,-2.0531978132,0.0053003851,-0.0905965476,GGA,P2_1/c,A2BC_mP80_14_10e_5e_5e:F-N-P,80.0,"Invalid WP multiplicities - A2BC_mP80_14_36e_19e_18e:F-N-P, expected P18N19F36 to be PNF2" +mp-560275,PNF2,-6.4369858506,-2.043797009,0.0147011894,-0.0811957434,GGA,Pna2_1,A2BC_oP48_33_6a_3a_3a:F-N-P,48.0,"Invalid WP multiplicities - A2BC_oP48_33_21a_8a_8a:F-N-P, expected P8N8F21 to be PNF2" +mp-560008,PNF2,-6.45168704,-2.0584981983,0.0,-0.0958969327,GGA,Cmc2_1,A2BC_oC16_36_b_a_a:F-N-P,8.0,A2BC_oC16_36_b_a_a:F-N-P +mp-559655,PNF2,-6.4420290171,-2.0488401754,0.0096580229,-0.0862389098,GGA,Pnma,A2BC_oP48_62_2c2d_cd_cd:F-N-P,48.0,"Invalid WP multiplicities - A2BC_oP48_62_8c12d_2c3d_4c5d:F-N-P, expected P7(NF4)4 to be PNF2" +mp-1209862,PNF6,-4.7323689028,-1.5800349982,0.61152799,0.61152799,GGA,Pa-3,A6BC_cP32_205_d_a_b:F-N-P,32.0,A6BC_cP32_205_d_a_b:F-N-P +mp-1028335,Mg14VC,-2.2208022181,0.3239785483,0.3966316344,0.3966316344,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-V, expected Mg18VC to be Mg14VC" +mp-1028292,Mg14VC,-2.1998819581,0.3448988083,0.4175518944,0.4175518944,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-V, expected Mg26VC to be Mg14VC" +mp-1021449,Mg6VC,-3.2800967675,0.2091847153,0.3425705643,0.3425705643,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-V,8.0,AB6C_oC16_38_a_abde_b:C-Mg-V +mp-1021726,Mg6VC,-2.8586335025,0.6306479803,0.7640338293000001,0.7640338293000001,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-V, expected Mg12VC to be Mg6VC" +mp-1034537,Mg14VCO16,-6.4144487778,-2.668714039,0.2521343474,0.2521343474,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-V, expected Mg18VCO20 to be Mg14VCO16" +mp-1034447,Mg14VCO16,-6.4132578612,-2.6675231224,0.2533252639,0.2533252639,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-V, expected Mg30VCO32 to be Mg14VCO16" +mp-1036878,Mg30VCO32,-6.3678799442,-2.8582703845,0.1291739584,0.1291739584,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-V, expected Mg90VCO80 to be Mg30VCO32" +mp-1036759,Mg30VCO32,-6.3685771811,-2.8589676214,0.1284767215,0.1284767215,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-V, expected Mg110VCO72 to be Mg30VCO32" +mp-2228828,MgV2(CO3)4,-8.1741910321,-2.0666637324,0.0836587995,0.0836587995,GGA+U,P-1,A4BC12D2_aP19_2_2i_a_6i_be:C-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_aP19_2_3i_a_11i_be:C-Mg-O-V, expected MgV2(C3O11)2 to be MgV2(CO3)4" +mp-2228787,MgV2(CO3)4,-8.2263632568,-2.1188359571,0.0314865748,0.0314865748,GGA+U,C2,A4BC12D2_mC38_5_2c_a_6c_ab:C-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_mC38_5_4c_a_12c_ab:C-Mg-O-V, expected MgV2(CO3)8 to be MgV2(CO3)4" +mp-1031455,Mg6VCO8,-6.5116632456,-2.2936781486,0.4939783247,0.4939783247,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-V, expected Mg6VCO12 to be Mg6VCO8" +mp-1031643,Mg6VCO8,-6.4992700231,-2.2812849261,0.5063715472,0.5063715472,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-V, expected Mg6VCO12 to be Mg6VCO8" +mp-2217137,MgV(CO3)2,-8.023913128,-2.1417481908,0.1150546986,0.1150546986,GGA+U,P-1,A2BC6D_aP10_2_i_b_3i_e:C-Mg-O-V,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_b_5i_e:C-Mg-O-V, expected MgV(CO5)2 to be MgV(CO3)2" +mp-2217088,MgV(CO3)2,-8.06220526,-2.1800403228,0.0767625666,0.0767625666,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:C-Mg-O-V,10.0,"Invalid WP multiplicities - A2BC6D_hR30_146_2a_a_4b_a:C-Mg-O-V, expected MgV(CO6)2 to be MgV(CO3)2" +mp-2217161,MgV(CO3)2,-8.126592856,-2.2444279188,0.0123749706,0.0123749706,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:C-Mg-O-V,10.0,A2BC6D_hR30_148_c_a_f_b:C-Mg-O-V +mp-29330,K2H5F7,-4.5716922977,-2.2456365197,0.0,-0.0086477396,GGA,P2_1/c,A7B5C2_mP56_14_7e_5e_2e:F-H-K,56.0,"Invalid WP multiplicities - A7B5C2_mP56_14_10e_6e_2e:F-H-K, expected KH3F5 to be K2H5F7" +mp-1212018,KH2F3,-4.3718679204,-2.1001532638,0.2019853064,0.2019853064,GGA,I4_1/a,A3B2C_tI48_88_cf_f_d:F-H-K,24.0,A3B2C_tI48_88_cf_f_d:F-H-K +mp-632812,KH4F5,-4.5019306895,-2.078060893,0.0216080465,0.0216080465,GGA,I4_1/a,A5B4C_tI40_88_af_f_b:F-H-K,20.0,A5B4C_tI40_88_af_f_b:F-H-K +mp-23846,KHF2,-4.5814164787,-2.499895747,0.0,-0.0471740264,GGA,I4/mcm,A2BC_tI16_140_h_d_a:F-H-K,8.0,A2BC_tI16_140_h_d_a:F-H-K +mp-1212570,KH6F12,-3.7659322026,-1.4288531065,0.0395328383,0.0395328383,GGA,C2/c,A12B6C_mC76_15_6f_3f_c:F-H-K,,"Invalid WP multiplicities - A12B6C_mC76_15_20f_10f_a:F-H-K, expected KH20F40 to be KH6F12" +mp-866709,K2CrH2F8,-5.2376814165,-2.6260560939,0.0,-0.0380798113,GGA+U,P2_1/c,AB8C2D2_mP26_14_a_4e_e_e:Cr-F-H-K,26.0,"Invalid WP multiplicities - AB8C2D2_mP26_14_a_13e_e_e:Cr-F-H-K, expected K2CrH2F26 to be K2CrH2F8" +mp-29331,KH3F4,-4.5599825712,-2.1931709523,0.0,-0.0125313864,GGA,R-3c,A4B3C_hR48_167_ae_e_b:F-H-K,16.0,"Invalid WP multiplicities - A4B3C_hR48_167_a2e_e_b:F-H-K, expected KH3F7 to be KH3F4" +mp-1207847,V(NF3)2,-4.8778165122,-0.7416198761,1.1293688467,1.1293688467,GGA+U,Fm-3m,A6B2C_cF36_225_e_c_a:F-N-V,9.0,A6B2C_cF36_225_e_c_a:F-N-V +mp-726732,V(NF2)3,-4.727170136,-0.170943671,1.5129461795,1.5129461795,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-N-V,10.0,A6B3C_cF40_225_e_ac_b:F-N-V +mp-1207895,VRu(NF)6,-5.4462184709,0.257078098,1.7177842762000002,1.7177842762000002,GGA+U,Pa-3,A6B6CD_cP56_205_d_d_a_b:F-N-Ru-V,56.0,A6B6CD_cP56_205_d_d_a_b:F-N-Ru-V +mp-1208071,ZnSO11,-4.5351326058,0.0656188789,0.925972327,0.925972327,GGA,P2_12_12_1,A11BC_oP52_19_11a_a_a:O-S-Zn,52.0,A11BC_oP52_19_11a_a_a:O-S-Zn +mp-1178812,Zn2S2O11,-5.0995584957,-0.7524943105,0.7387849996,0.7387849996,GGA,P-1,A11B2C2_aP30_2_11i_2i_bei:O-S-Zn,30.0,A11B2C2_aP30_2_11i_2i_bei:O-S-Zn +mp-1194200,Zn2S2O11,-5.0603672987,-0.7133031135,0.7779761966000001,0.7779761966000001,GGA,P-1,A11B2C2_aP30_2_11i_2i_bei:O-S-Zn,30.0,A11B2C2_aP30_2_11i_2i_bei:O-S-Zn +mp-5126,ZnSO4,-6.0612571913,-1.8640991376,0.0,-0.0656769387,GGA,Pnma,A4BC_oP24_62_2cd_c_a:O-S-Zn,24.0,A4BC_oP24_62_2cd_c_a:O-S-Zn +mp-545756,ZnSO4,-6.022992445,-1.8258343914,0.0382647462,-0.0274121924,GGA,F-43m,A4BC_cF24_216_e_a_c:O-S-Zn,6.0,A4BC_cF24_216_e_a_c:O-S-Zn +mp-30986,Zn3S2O9,-5.9021639407,-1.8612833004,0.0,-0.0075504311,GGA,P2_1/m,A9B2C3_mP28_11_5e2f_2e_a2e:O-S-Zn,28.0,A9B2C3_mP28_11_5e2f_2e_a2e:O-S-Zn +mp-1207877,Zn4SO14,-4.4039306884,-0.2760850956,0.8811075044000001,0.8811075044000001,GGA,P-3,A14BC4_hP38_147_cd4g_d_cg:O-S-Zn,38.0,A14BC4_hP38_147_cd4g_d_cg:O-S-Zn +mp-1207652,ZnW2SO3,-6.3857304175,0.2074867354,1.8398539268,1.8398539268,GGA+U,P-1,A3BC2D_aP28_2_6i_2i_4i_bei:O-S-W-Zn,28.0,A3BC2D_aP28_2_6i_2i_4i_bei:O-S-W-Zn +mp-1193924,ZnSO5,-5.0765426957,-0.7723088338,0.8254904270000001,0.8254904270000001,GGA,P-1,A5BC_aP28_2_10i_2i_bei:O-S-Zn,28.0,A5BC_aP28_2_10i_2i_bei:O-S-Zn +mp-1103890,ZnSO5,-5.6438117107,-1.3395778488,0.258221412,0.258221412,GGA,C2/c,A5BC_mC28_15_e2f_e_a:O-S-Zn,14.0,A5BC_mC28_15_e2f_e_c:O-S-Zn +mp-1205006,Zn4SO13,-4.5737894908,-0.4914351823,0.7300458954,0.7300458954,GGA,P-1,A13BC4_aP36_2_13i_i_4i:O-S-Zn,36.0,A13BC4_aP36_2_13i_i_4i:O-S-Zn +mp-1200369,ZnSO10,-4.6246548187,-0.0527314363,0.8793181325,0.8793181325,GGA,C2/c,A10BC_mC96_15_10f_f_ae:O-S-Zn,48.0,A10BC_mC96_15_10f_f_ce:O-S-Zn +mp-731683,Zn2SO6,-5.4157029953,-1.3783619559,0.2683623065,0.2683623065,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-S-Zn,36.0,A6BC2_oP36_19_6a_a_2a:O-S-Zn +mp-1207491,Zn2SO6,-5.4786530119,-1.4413119726,0.2054122899,0.2054122899,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-S-Zn,36.0,A6BC2_oP36_19_6a_a_2a:O-S-Zn +mp-570132,Mg8B5IN10,-6.5907915327,-1.1308950805,0.0286557316,0.0286557316,GGA,Imma,A5BC8D10_oI96_74_e2i_e_2fgh_h2j:B-I-Mg-N,48.0,"Invalid WP multiplicities - A5BC8D10_oI96_74_2e6i_e_7f4g3h_4h10j:B-I-Mg-N, expected Mg28B14IN48 to be Mg8B5IN10" +mp-1079723,Mg(IN)2,-3.137641743,1.106358777,1.9236155044,1.9236155044,GGA,Pbam,A2BC2_oP10_55_h_a_g:I-Mg-N,10.0,A2BC2_oP10_55_h_a_g:I-Mg-N +mp-626542,H3NO,-4.7696647225,-0.0773923683,0.8057437169,0.8057437169,GGA,P1,A3BC_aP20_1_12a_4a_4a:H-N-O,20.0,A3BC_aP20_1_12a_4a_4a:H-N-O +mp-626543,H3NO,-5.3699885805,-0.6777162262,0.2054198589,0.2054198589,GGA,P1,A3BC_aP20_1_12a_4a_4a:H-N-O,20.0,A3BC_aP20_1_12a_4a_4a:H-N-O +mp-626534,H3NO,-5.208242629,-0.5159702747,0.3671658104,0.3671658104,GGA,P2_1,A3BC_mP20_4_6a_2a_2a:H-N-O,20.0,"Invalid WP multiplicities - A3BC_mP20_4_12a_2a_2a:H-N-O, expected H6NO to be H3NO" +mp-29943,H5NO5,-5.6601543839,-1.1116481378,0.0058396966,0.0058396966,GGA,P2_1/c,A5BC5_mP88_14_10e_2e_10e:H-N-O,88.0,"Invalid WP multiplicities - A5BC5_mP88_14_14e_2e_11e:H-N-O, expected H14N2O11 to be H5NO5" +mp-849229,H5NO5,-5.6568144273000005,-1.1083081812,0.0091796532,0.0091796532,GGA,P2_1/c,A5BC5_mP88_14_10e_2e_10e:H-N-O,88.0,"Invalid WP multiplicities - A5BC5_mP88_14_39e_7e_39e:H-N-O, expected H39N7O39 to be H5NO5" +mp-1236926,TcH2NO2,-5.8749504733,0.0210434237,1.1619228483,1.1619228483,GGA,I4_1/a,A2BC2D_tI48_88_f_c_f_d:H-N-O-Tc,24.0,A2BC2D_tI48_88_f_c_f_d:H-N-O-Tc +mp-625347,H6N4O9,-5.6984300613,-0.5288229891,0.4144981054,0.4144981054,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-625365,H6N4O9,-5.7003762613,-0.5307691891,0.4125519054,0.4125519054,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-626354,H6N4O9,-5.6658916255000005,-0.4962845534,0.4470365412,0.4470365412,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-626392,H6N4O9,-5.8950779,-0.7254708278,0.2178502667,0.2178502667,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-1181093,H6N4O9,-5.9092412118,-0.7396341397,0.2036869549,0.2036869549,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-1181373,H6N4O9,-5.6942788295,-0.5246717573,0.4186493372,0.4186493372,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-1181419,H6N4O9,-5.9703923468,-0.8007852747,0.1425358199,0.1425358199,GGA,P2_1,A6B4C9_mP38_4_6a_4a_9a:H-N-O,38.0,"Invalid WP multiplicities - A6B4C9_mP38_4_8a_5a_13a:H-N-O, expected H8N5O13 to be H6N4O9" +mp-1180988,H6N4O9,-5.9405224089,-0.7709153368,0.1724057578,0.1724057578,GGA,P2_12_12,A6B4C9_oP38_18_3c_abc_a4c:H-N-O,38.0,A6B4C9_oP38_18_3c_abc_a4c:H-N-O +mp-1181328,H6N4O9,-5.9391221521,-0.7695150799,0.1738060146,0.1738060146,GGA,P2_12_12,A6B4C9_oP38_18_3c_abc_a4c:H-N-O,38.0,A6B4C9_oP38_18_3c_abc_a4c:H-N-O +mp-625385,HNO,-5.9226237308,-0.3639871704,0.4555039082,0.4555039082,GGA,Cc,ABC_mC24_9_2a_2a_2a:H-N-O,12.0,ABC_mC24_9_2a_2a_2a:H-N-O +mp-625377,HNO,-5.8872580375,-0.3286214771,0.4908696015,0.4908696015,GGA,C2/c,ABC_mC24_15_f_2e_f:H-N-O,12.0,ABC_mC24_15_f_2e_f:H-N-O +mp-1181155,HNO,-5.9587637958,-0.4001272354,0.4193638432,0.4193638432,GGA,C2/c,ABC_mC24_15_f_2e_f:H-N-O,12.0,ABC_mC24_15_f_2e_f:H-N-O +mp-625109,H5NO2,-4.8878746019,-0.4886867803,0.5440435306,0.5440435306,GGA,Pc,A5BC2_mP32_7_10a_2a_4a:H-N-O,32.0,"Invalid WP multiplicities - A5BC2_mP32_7_19a_3a_6a:H-N-O, expected H19(NO2)3 to be H5NO2" +mp-625108,H5NO2,-4.886428255,-0.4872404334,0.5454898774,0.5454898774,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:H-N-O,32.0,"Invalid WP multiplicities - A5BC2_mP32_14_19e_e_2e:H-N-O, expected H19NO2 to be H5NO2" +mp-1204044,H5NO2,-5.0507111253,-0.6515233037,0.3812070071,0.3812070071,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:H-N-O,32.0,A5BC2_mP32_14_5e_e_2e:H-N-O +mp-1224772,HNO3,-6.2057778012,-0.8919203805,0.0,-0.0407520272,GGA,P2_1,ABC3_mP80_4_8a_8a_24a:H-N-O,80.0,ABC3_mP80_4_8a_8a_24a:H-N-O +mp-1199435,HNO3,-6.2017288613,-0.8878714405,0.00404894,-0.0367030872,GGA,P2_1/c,ABC3_mP40_14_2e_2e_6e:H-N-O,40.0,ABC3_mP40_14_2e_2e_6e:H-N-O +mp-625927,H5NO,-5.0859668921,-0.7649934834000001,0.0285375388,0.0259904946,GGA,P2_12_12_1,A5BC_oP28_19_5a_a_a:H-N-O,28.0,"Invalid WP multiplicities - A5BC_oP28_19_20a_a_a:H-N-O, expected H20NO to be H5NO" +mp-625924,H5NO,-5.1107452093,-0.7897718005000001,0.0037592216,0.0012121775,GGA,P2_12_12_1,A5BC_oP28_19_5a_a_a:H-N-O,28.0,"Invalid WP multiplicities - A5BC_oP28_19_20a_a_a:H-N-O, expected H20NO to be H5NO" +mp-1181559,H5NO,-5.1145044309,-0.7935310221,0.0,-0.0025470441,GGA,Pbca,A5BC_oP112_61_10c_2c_2c:H-N-O,112.0,A5BC_oP112_61_10c_2c_2c:H-N-O +mp-625819,H8N2O,-5.0596278511,-0.6267654038,0.0319112272,0.0319112272,GGA,Pc,A8B2C_mP44_7_16a_4a_2a:H-N-O,44.0,"Invalid WP multiplicities - A8B2C_mP44_7_32a_6a_3a:H-N-O, expected H32(N2O)3 to be H8N2O" +mp-625815,H8N2O,-4.8530342834,-0.420171836,0.2385047949,0.2385047949,GGA,P2_1/c,A8B2C_mP44_14_8e_2e_e:H-N-O,44.0,"Invalid WP multiplicities - A8B2C_mP44_14_32e_2e_e:H-N-O, expected H32N2O to be H8N2O" +mp-625790,H8N2O,-5.0441219102,-0.6112594628,0.0474171681,0.0474171681,GGA,Pnma,A8B2C_oP44_62_4c2d_2c_c:H-N-O,44.0,"Invalid WP multiplicities - A8B2C_oP44_62_16c15d_2c_c:H-N-O, expected H46N2O to be H8N2O" +mp-23925,TcH4NO4,-6.5101265725,-1.304647283,0.0298489977,0.0298489977,GGA,I4_1/a,A4BC4D_tI40_88_f_a_f_b:H-N-O-Tc,20.0,A4BC4D_tI40_88_f_a_f_b:H-N-O-Tc +mp-676050,H8(NO2)3,-5.0937472976,-0.2801340387,0.7508199064000001,0.7508199064000001,GGA,P1,A8B3C6_aP17_1_8a_3a_6a:H-N-O,17.0,A8B3C6_aP17_1_8a_3a_6a:H-N-O +mp-1181505,H4N2O3,-5.4698166019,-0.4604876949,0.5131910310000001,0.5131910310000001,GGA,P1,A4B2C3_aP36_1_16a_8a_12a:H-N-O,36.0,A4B2C3_aP36_1_16a_8a_12a:H-N-O +mp-1181677,H4N2O3,-5.8183486361,-0.8090197290000001,0.1646589968,0.1646589968,GGA,P1,A4B2C3_aP36_1_16a_8a_12a:H-N-O,36.0,A4B2C3_aP36_1_16a_8a_12a:H-N-O +mp-625619,H4N2O3,-5.0198961156,-0.0105672085,0.9631115174,0.9631115174,GGA,C2,A4B2C3_mC18_5_2ac_ab_ac:H-N-O,9.0,A4B2C3_mC18_5_2ac_ab_ac:H-N-O +mp-625635,H4N2O3,-5.3025230744,-0.2931941674,0.6804845585,0.6804845585,GGA,C2,A4B2C3_mC18_5_2c_ab_ac:H-N-O,9.0,A4B2C3_mC18_5_2c_ab_ac:H-N-O +mp-626155,H4N2O3,-5.3118530956,-0.3025241885,0.6711545374,0.6711545374,GGA,P2_12_12,A4B2C3_oP18_18_2c_ab_ac:H-N-O,18.0,A4B2C3_oP18_18_2c_ab_ac:H-N-O +mp-625631,H4N2O3,-5.1561520117,-0.1468231046,0.8268556213,0.8268556213,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-625664,H4N2O3,-5.0462651825,-0.0369362754,0.9367424504,0.9367424504,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-625686,H4N2O3,-5.4772178125,-0.4678889054,0.5057898204,0.5057898204,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-625994,H4N2O3,-5.2840711786,-0.2747422715,0.6989364543000001,0.6989364543000001,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-626006,H4N2O3,-5.2717099378,-0.2623810307,0.7112976952000001,0.7112976952000001,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-1181417,H4N2O3,-5.3244451083,-0.3151162013,0.6585625246,0.6585625246,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-1181430,H4N2O3,-5.349063255,-0.3397343479,0.6339443779,0.6339443779,GGA,Pna2_1,A4B2C3_oP36_33_4a_2a_3a:H-N-O,36.0,"Invalid WP multiplicities - A4B2C3_oP36_33_13a_2a_8a:H-N-O, expected H13(NO4)2 to be H4N2O3" +mp-24834,H4N2O3,-5.7668400625,-0.7575111554,0.2161675704,0.2161675704,GGA,Pccn,A4B2C3_oP72_56_4e_cde_cd2e:H-N-O,72.0,"Invalid WP multiplicities - A4B2C3_oP72_56_8e_cde_cd3e:H-N-O, expected H4NO2 to be H4N2O3" +mp-626113,H4N2O3,-5.37232882,-0.3629999129,0.6106788129,0.6106788129,GGA,Pmmn,A4B2C3_oP18_59_2e_ab_ae:H-N-O,18.0,A4B2C3_oP18_59_2e_ab_ae:H-N-O +mp-634429,H4N2O3,-5.7542205883,-0.7448916812,0.2287870446,0.2287870446,GGA,Pmmn,A4B2C3_oP18_59_ef_ab_ae:H-N-O,18.0,A4B2C3_oP18_59_ef_ab_ae:H-N-O +mp-23790,H4N2O3,-5.7368343978,-0.7275054907,0.2461732352,0.2461732352,GGA,Pmmn,A4B2C3_oP18_59_ef_ab_ae:H-N-O,18.0,"Invalid WP multiplicities - A4B2C3_oP18_59_2e2f_2ab_a2e:H-N-O, expected H8N3O5 to be H4N2O3" +mp-625676,H4N2O3,-5.4869428303,-0.4776139232,0.4960648027,0.4960648027,GGA,Pnma,A4B2C3_oP36_62_2d_2c_cd:H-N-O,36.0,A4B2C3_oP36_62_2d_2c_cd:H-N-O +mp-696659,H4N2O3,-5.7466498161,-0.737320909,0.2363578168,0.2363578168,GGA,Pnma,A4B2C3_oP36_62_2cd_2c_cd:H-N-O,36.0,A4B2C3_oP36_62_2cd_2c_cd:H-N-O +mp-707104,H4N2O3,-5.756490566,-0.7471616589000001,0.226517067,0.226517067,GGA,P4_2,A4B2C3_tP72_77_8d_ab2c2d_6d:H-N-O,72.0,A4B2C3_tP72_77_8d_ab2c2d_6d:H-N-O +mp-632734,H4N2O3,-5.7603013278,-0.7509724207,0.2227063052,0.2227063052,GGA,P-42_1m,A4B2C3_tP18_113_f_ac_ce:H-N-O,18.0,A4B2C3_tP18_113_f_ac_ce:H-N-O +mp-626256,H3NO4,-5.8434540028,-1.0557755147,0.0,-0.012792301,GGA,Pna2_1,A3BC4_oP32_33_3a_a_4a:H-N-O,32.0,"Invalid WP multiplicities - A3BC4_oP32_33_7a_a_4a:H-N-O, expected H7NO4 to be H3NO4" +mp-626259,H3NO4,-5.7763685203,-0.9886900322,0.0670854825,0.0542931815,GGA,Pna2_1,A3BC4_oP32_33_3a_a_4a:H-N-O,32.0,"Invalid WP multiplicities - A3BC4_oP32_33_12a_a_4a:H-N-O, expected H12NO4 to be H3NO4" +mp-626289,H3NO4,-5.7889966019,-1.0013181138,0.0544574009,0.0416650999,GGA,Pna2_1,A3BC4_oP32_33_3a_a_4a:H-N-O,32.0,"Invalid WP multiplicities - A3BC4_oP32_33_9a_a_4a:H-N-O, expected H9NO4 to be H3NO4" +mp-706430,H3NO4,-5.8018862728,-1.0142077847,0.04156773,0.028775429,GGA,Pna2_1,A3BC4_oP32_33_3a_a_4a:H-N-O,32.0,A3BC4_oP32_33_3a_a_4a:H-N-O +mp-28349,H2NO2,-5.741846185,-0.7387812975,0.2446079968,0.2446079968,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:H-N-O,40.0,A2BC2_mP40_14_4e_2e_4e:H-N-O +mp-626112,H7NO6,-5.527996912,-1.1161605186,0.0365914986,0.0365914986,GGA,P1,A7BC6_aP56_1_28a_4a_24a:H-N-O,56.0,A7BC6_aP56_1_28a_4a_24a:H-N-O +mp-625850,H7NO6,-5.5417525927,-1.1299161993,0.0228358179,0.0228358179,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,A7BC6_mP56_4_28a_4a_24a:H-N-O +mp-625868,H7NO6,-5.5241200377,-1.1122836443,0.0404683729,0.0404683729,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_mP56_4_27a_3a_18a:H-N-O, expected H9NO6 to be H7NO6" +mp-625937,H7NO6,-5.537762772,-1.1259263786,0.0268256386,0.0268256386,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_mP56_4_26a_3a_18a:H-N-O, expected H26(NO6)3 to be H7NO6" +mp-625948,H7NO6,-5.5294760382,-1.1176396448,0.0351123723,0.0351123723,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_mP56_4_28a_3a_18a:H-N-O, expected H28(NO6)3 to be H7NO6" +mp-626127,H7NO6,-5.4837749941,-1.0719386007,0.0808134164,0.0808134164,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_mP56_4_25a_3a_18a:H-N-O, expected H25(NO6)3 to be H7NO6" +mp-626529,H7NO6,-5.5329303457,-1.1210939523,0.0316580648,0.0316580648,GGA,P2_1,A7BC6_mP56_4_14a_2a_12a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_mP56_4_28a_3a_18a:H-N-O, expected H28(NO6)3 to be H7NO6" +mp-625861,H7NO6,-5.5254583991,-1.1136220057,0.0391300114,0.0391300114,GGA,P2_12_12_1,A7BC6_oP56_19_7a_a_6a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_oP56_19_26a_a_6a:H-N-O, expected H26NO6 to be H7NO6" +mp-626046,H7NO6,-5.5055253279,-1.0936889345,0.0590630827,0.0590630827,GGA,P2_12_12_1,A7BC6_oP56_19_7a_a_6a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_oP56_19_22a_a_6a:H-N-O, expected H22NO6 to be H7NO6" +mp-626093,H7NO6,-5.5226419293,-1.1108055359,0.0419464813,0.0419464813,GGA,P2_12_12_1,A7BC6_oP56_19_7a_a_6a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_oP56_19_26a_a_6a:H-N-O, expected H26NO6 to be H7NO6" +mp-504422,H7NO6,-5.5599063841,-1.1480699907,0.0046820264,0.0046820264,GGA,P2_12_12_1,A7BC6_oP56_19_7a_a_6a:H-N-O,56.0,A7BC6_oP56_19_7a_a_6a:H-N-O +mp-626066,H7NO6,-5.5184797416,-1.1066433482,0.0461086689,0.0461086689,GGA,P2_12_12_1,A7BC6_oP56_19_7a_a_6a:H-N-O,56.0,"Invalid WP multiplicities - A7BC6_oP56_19_23a_a_6a:H-N-O, expected H23NO6 to be H7NO6" +mp-625374,H6N2O,-5.2312343237,-0.5672304536,0.112579815,0.112579815,GGA,P3_121,A6B2C_hP27_152_3c_c_a:H-N-O,27.0,"Invalid WP multiplicities - A6B2C_hP27_152_15c_c_a:H-N-O, expected H30N2O to be H6N2O" +mp-555516,H5(NO)3,-5.7113901868,-0.5465555383,0.3762442215,0.3762442215,GGA,P2_1/c,A5B3C3_mP44_14_5e_3e_3e:H-N-O,44.0,"Invalid WP multiplicities - A5B3C3_mP44_14_19e_8e_10e:H-N-O, expected H19(N4O5)2 to be H5(NO)3" +mp-1199844,BaBPF10,-5.9338487477,-3.3856596021,0.0,-0.0570161315,GGA,P-62m,ABC10D_hP39_189_f_bc_2gijl_g:B-Ba-F-P,39.0,ABC10D_hP39_189_f_bc_2gijl_g:B-Ba-F-P +mp-27426,B4PF9,-6.0233967943,-2.499526773,0.2263979008,0.2263979008,GGA,Pnma,A4B9C_oP56_62_2cd_3c3d_c:B-F-P,56.0,"Invalid WP multiplicities - A4B9C_oP56_62_3c2d_7c4d_c:B-F-P, expected B7PF15 to be B4PF9" +mp-1212266,K2Th(NO3)6,-6.9469167035,-1.4397306851,0.0,-0.1055423742,GGA,P-3,A2B6C18D_hP81_147_g_3g_9g_ad:K-N-O-Th,81.0,A2B6C18D_hP81_147_g_3g_9g_ad:K-N-O-Th +mp-1212186,KThN5O17,-6.6997893952,-1.1039377322,0.1672786812,0.1672786812,GGA,P2_1/c,AB5C17D_mP96_14_e_5e_17e_e:K-N-O-Th,96.0,AB5C17D_mP96_14_e_5e_17e_e:K-N-O-Th +mp-1102885,K2U(BrO)4,-5.3423831045,-1.7504670983,0.3740251812,0.3740251812,GGA,P-1,A4B2C4D_aP11_2_2i_i_2i_a:Br-K-O-U,11.0,A4B2C4D_aP11_2_2i_i_2i_a:Br-K-O-U +mp-28776,K2UBr5,-4.6194576666,-1.9597889723,0.0,-0.0466590734,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-K-U,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_7c3d_d_c:Br-K-U, expected K2UBr13 to be K2UBr5" +mp-1112011,K2VHgF6,-4.941006189,-2.6332803756,0.1755922224,0.1755922224,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-V +mp-1100961,U5P3Se2,-9.060511088,-1.0916330355,0.0,-0.000212544,GGA,C2/c,A3B2C5_mC40_15_3e_2e_c2f:P-Se-U,20.0,"Invalid WP multiplicities - A3B2C5_mC40_15_5e_3e_2a7f:P-Se-U, expected U16P5Se3 to be U5P3Se2" +mp-1206974,U2PSe2,-6.9057594,0.0918296964,1.3820172246,1.3820172246,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:P-Se-U,5.0,AB2C2_tP5_123_a_g_g:P-Se-U +mp-1216742,U3P2Se,-9.10950894,-1.0767178532,0.0,-0.005694305,GGA,Immm,A2BC3_oI12_71_e_a_cf:P-Se-U,6.0,A2BC3_oI12_71_e_a_cf:P-Se-U +mp-574428,K2U(PSe3)3,-4.9565971058,-0.8755758576,0.0103360429,0.0103360429,GGA,P-1,A2B3C9D_aP60_2_4i_6i_18i_2i:K-P-Se-U,60.0,"Invalid WP multiplicities - A2B3C9D_aP60_2_7i_10i_35i_3i:K-P-Se-U, expected K7U3(P2Se7)5 to be K2U(PSe3)3" +mp-9930,UPSe,-7.8653985167,-1.1318571852,0.0,-0.0058588603,GGA,P4/nmm,ABC_tP6_129_a_c_c:P-Se-U,6.0,ABC_tP6_129_a_c_c:P-Se-U +mp-1196201,Eu5B3O9F,-9.7986105489,-3.2566737888,0.0107557839,0.0107557839,GGA,Pnma,A3B5CD9_oP72_62_cd_c2d_c_3c3d:B-Eu-F-O,72.0,A3B5CD9_oP72_62_cd_c2d_c_3c3d:B-Eu-F-O +mp-1213384,Eu3B2(O2F)3,-8.9990697396,-3.3173298745,0.0,-0.0099976667,GGA,C2/c,A2B3C3D6_mC56_15_f_ef_ef_3f:B-Eu-F-O,28.0,A2B3C3D6_mC56_15_f_ef_ef_3f:B-Eu-F-O +mp-1199066,Eu4B4O11F2,-9.1728332874,-3.1736852854,0.003132721,0.003132721,GGA,C2/c,A4B4C2D11_mC84_15_2f_2f_f_e5f:B-Eu-F-O,42.0,A4B4C2D11_mC84_15_2f_2f_f_e5f:B-Eu-F-O +mp-560028,UTe6(OF5)6,-5.1378599149,-2.4128425506,0.0,-0.0044552859,GGA,C2/m,A30B6C6D_mC86_12_i7j_ij_ij_a:F-O-Te-U,43.0,"Invalid WP multiplicities - A30B6C6D_mC86_12_2i27j_i2j_2i3j_a:F-O-Te-U, expected UTe16(O5F56)2 to be UTe6(OF5)6" +mp-24241,Rb3B12H12I,-4.9438089111,-0.4695095412,0.0825726611,0.0825726611,GGA,R-3m,A12B12CD3_hR84_166_2h_2h_a_d:B-H-I-Rb,28.0,"Invalid WP multiplicities - A12B12CD3_hR84_166_3h_3h_a_d:B-H-I-Rb, expected Rb3B18H18I to be Rb3B12H12I" +mp-1223430,LaB3F12,-6.499460123,-3.5049644963,0.0,-0.0476685727,GGA,P3c1,A3B12C_hP96_158_abc2d_abc11d_d:B-F-La,96.0,A3B12C_hP96_158_abc2d_abc11d_d:B-F-La +mp-1198007,LaB2O4F,-8.4056068208,-3.4064787634,0.0058474594,0.0058474594,GGA,Pbca,A2BCD4_oP64_61_2c_c_c_4c:B-F-La-O,64.0,A2BCD4_oP64_61_2c_c_c_4c:B-F-La-O +mp-1209605,ScPO6,-7.3864798056,-2.2082418207,0.3084022966,0.3084022966,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:O-P-Sc,32.0,A6BC_mP32_14_6e_e_e:O-P-Sc +mp-4200,ScPO4,-8.6109465658,-3.3555254897,0.0,-0.1040243545,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Sc,12.0,A4BC_tI24_141_h_a_b:O-P-Sc +mp-775184,Sc2(PO4)3,-8.0226423863,-2.8305770766,0.0835111341,0.0835111341,GGA,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-P-Sc,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_9e_5e:O-P-Sc, expected Sc5(PO5)9 to be Sc2(PO4)3" +mp-1209692,Sc(PO)2,-6.946337277,-1.5358469688,0.8572775555000001,0.8572775555000001,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-P-Sc,20.0,A2B2C_tI40_141_h_h_c:O-P-Sc +mp-556281,Sc(PO3)3,-8.1264790332,-2.9655117235,0.0098375341,-0.1030860309,GGA,Cc,A9B3C_mC156_9_27a_9a_3a:O-P-Sc,78.0,"Invalid WP multiplicities - A9B3C_mC156_9_53a_17a_5a:O-P-Sc, expected Sc5P17O53 to be Sc(PO3)3" +mp-5207,Sc(PO3)3,-8.1363165673,-2.9753492576,0.0,-0.112923565,GGA,I-43d,A9B3C_cI208_220_3e_e_c:O-P-Sc,104.0,"Invalid WP multiplicities - A9B3C_cI208_220_4e_e_c:O-P-Sc, expected Sc(PO4)3 to be Sc(PO3)3" +mp-773030,ScP2O7,-8.05620398,-2.8776144703,0.0630201941,0.0630201941,GGA,P2_1,A7B2C_mP20_4_7a_2a_a:O-P-Sc,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_13a_3a_a:O-P-Sc, expected ScP3O13 to be ScP2O7" +mp-1197327,ScP2NO8,-7.8695933331,-2.4471701053,0.1321953518,0.1321953518,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:N-O-P-Sc,48.0,AB8C2D_mP48_14_e_8e_2e_e:N-O-P-Sc +mp-7170,UTeP,-7.5026483167,-0.8866421800000001,0.0,-0.0009409192,GGA,I4/mmm,ABC_tI12_139_c_e_e:P-Te-U,6.0,ABC_tI12_139_c_e_e:P-Te-U +mp-1071351,UTeP,-7.3455079083,-0.7295017717000001,0.1571404083,0.1561994892,GGA,Cm,ABC_mC12_8_2a_b_b:P-Te-U,6.0,ABC_mC12_8_2a_b_b:P-Te-U +mp-1237725,UTeP,-7.458649195,-0.8426430583000001,0.0439991217,0.0430582025,GGA,Cmmm,ABC_oC12_65_ac_g_h:P-Te-U,6.0,ABC_oC12_65_ac_g_h:P-Te-U +mp-1095312,U2Te2PO,-8.1752033392,-1.6369661684,0.0063834317,0.0063834317,GGA,Cm,ABC2D2_mC24_8_b_2a_2b_2b:O-P-Te-U,12.0,ABC2D2_mC24_8_b_2a_2b_2b:O-P-Te-U +mp-1205267,LaB5IO11,-7.84777898,-2.6133396393,0.0797191671,0.0797191671,GGA,P2_1/c,A5BCD11_mP72_14_5e_e_e_11e:B-I-La-O,72.0,A5BCD11_mP72_14_5e_e_e_11e:B-I-La-O +mp-1205243,LaB7IO15,-7.3668433003,-2.0599496953,0.5660639948,0.5660639948,GGA,P2_1/c,A7BCD15_mP96_14_7e_e_e_15e:B-I-La-O,96.0,A7BCD15_mP96_14_7e_e_e_15e:B-I-La-O +mp-558753,BiB2O4F,-7.4874725333,-2.6252842228,0.0,-0.0078353262,GGA,P3_2,A2BCD4_hP24_145_2a_a_a_4a:B-Bi-F-O,24.0,"Invalid WP multiplicities - A2BCD4_hP24_145_6a_a_a_11a:B-Bi-F-O, expected BiB6O11F to be BiB2O4F" +mp-1147533,BiBOF4,-6.0250358393,-2.723252199,0.1308458484,0.1308458484,GGA,Aem2,ABC4D_oC28_39_c_c_2cd_a:B-Bi-F-O,14.0,ABC4D_oC28_39_c_c_2cd_a:B-Bi-F-O +mp-554741,KErP2S7,-5.3368793909,-1.2041637692,0.0,-0.0323361072,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Er-K-P-S,44.0,"Invalid WP multiplicities - ABC2D7_mP44_14_e_e_3e_24e:Er-K-P-S, expected KEr(PS8)3 to be KErP2S7" +mp-1200419,PrP4NO12,-7.5547450297,-2.3252519607,0.3510320465,0.3510320465,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:N-O-P-Pr,36.0,AB12C4D_mC72_15_e_6f_2f_e:N-O-P-Pr +mp-628735,KEuPS4,-6.1937769046,-1.4328479445,0.0,-0.0300316817,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Eu-K-P-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_6c4d:Eu-K-P-S, expected KEuPS14 to be KEuPS4" +mp-669560,K4Eu(PS4)2,-5.244185401,-1.3363986319,0.0,-0.0014369437,GGA,C2/m,AB4C2D8_mC60_12_g_2ij_2i_4i2j:Eu-K-P-S,30.0,"Invalid WP multiplicities - AB4C2D8_oI60_72_a_3f4j_j_7j4k:Eu-K-P-S, expected K14Eu(PS15)2 to be K4Eu(PS4)2" +mp-1180828,K4Eu(PS4)2,-5.243351785,-1.3355650159,0.000833616,-0.0006033277,GGA,Ibam,AB4C2D8_oI60_72_a_fj_j_2jk:Eu-K-P-S,30.0,"Invalid WP multiplicities - AB4C2D8_oI60_72_a_3f4j_j_7j4k:Eu-K-P-S, expected K14Eu(PS15)2 to be K4Eu(PS4)2" +mp-1189677,GeN2F5,-4.2731811956,-0.4165046278,1.2647128328,1.2647128328,GGA,P4/n,A5BC2_tP16_85_cg_c_ac:F-Ge-N,16.0,A5BC2_tP16_85_cg_c_ac:F-Ge-N +mp-726225,GeN2F5,-4.2312568381,-0.3745802703,1.3066371903,1.3066371903,GGA,P4/n,A5BC2_tP16_85_cg_c_ac:F-Ge-N,16.0,A5BC2_tP16_85_cg_c_ac:F-Ge-N +mp-1079657,Ge(NF3)2,-4.04626498,-0.4057214789,1.0886940417,1.0886940417,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ge-N,9.0,A6BC2_hP9_164_i_a_d:F-Ge-N +mp-1189295,Ge(NF3)2,-4.039037545,-0.3984940439,1.0959214767,1.0959214767,GGA,P6_3mc,A6BC2_hP18_186_2c_b_ab:F-Ge-N,18.0,A6BC2_hP18_186_2c_b_ab:F-Ge-N +mp-1079674,Ge(NF3)2,-4.02712377,-0.3865802689,1.1078352517,1.1078352517,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:F-Ge-N,9.0,A6BC2_cF36_225_e_a_c:F-Ge-N +mp-1196527,GeN3F7,-4.4388311845,-0.5285706934000001,0.6941329143,0.6941329143,GGA,P2_1/c,A7BC3_mP44_14_7e_ac_3e:F-Ge-N,44.0,A7BC3_mP44_14_7e_ac_3e:F-Ge-N +mp-1190645,GeN3F7,-4.0805682418,-0.1703077507,1.052395857,1.052395857,GGA,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Ge-N,22.0,A7BC3_tP22_127_ahk_c_bg:F-Ge-N +mp-1192545,GeN3F7,-4.13795391,-0.2276934189,0.9950101889,0.9950101889,GGA,P4/mbm,A7BC3_tP22_127_ahk_c_bg:F-Ge-N,22.0,A7BC3_tP22_127_ahk_c_bg:F-Ge-N +mp-1212530,GeC2(NF)6,-5.5903371107,0.0475430357,1.3080047536,1.3080047536,GGA,Cm,A2B6CD6_mC30_8_2a_2a2b_a_2a2b:C-F-Ge-N,15.0,"Invalid WP multiplicities - A2B6CD6_mC30_12_i_ij_a_2i2j:C-F-Ge-N, expected GeC2(N2F)6 to be GeC2(NF)6" +mp-1181383,K2Co(B2O5)6,-6.9588852693,-1.6726079743,0.4824745685,0.4824745685,GGA+U,P-1,A12BC2D30_aP45_2_6i_a_i_15i:B-Co-K-O,45.0,A12BC2D30_aP45_2_6i_a_i_15i:B-Co-K-O +mp-1223034,KTaWO7,-8.3038853435,-2.2485725649,0.2043043871,0.2043043871,GGA+U,Imma,AB7CD_oI40_74_a_c2ej_d_b:K-O-Ta-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_c4e2j_d_b:K-O-Ta-W, expected KTaWO13 to be KTaWO7" +mp-1223039,KTaWO6,-8.9039120661,-2.7254188356,0.0,-0.0165662624,GGA+U,Ima2,AB6CD_oI36_46_b_2b2c_a_b:K-O-Ta-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_46_b_4b6c_a_b:K-O-Ta-W, expected KTaWO16 to be KTaWO6" +mp-1223468,KTaW2O9,-8.9770740362,-2.5613328486,0.0,-9.98618e-05,GGA+U,P1,AB9CD2_aP39_1_3a_27a_3a_6a:K-O-Ta-W,39.0,AB9CD2_aP39_1_3a_27a_3a_6a:K-O-Ta-W +mp-1246009,Ti(VN)4,-9.8124053533,-1.1927280204,0.1887586693,0.1887586693,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Ti-V,18.0,A4BC4_aP18_2_4i_i_4i:N-Ti-V +mp-1216767,TiVN2,-9.9409735625,-1.5278765783,0.091636005,0.091636005,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Ti-V,4.0,A2BC_hR12_166_c_a_b:N-Ti-V +mp-1216717,TiVCN,-9.7290510075,-1.0929113815,0.1044818887,0.1044818887,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Ti-V,4.0,ABCD_hR12_160_a_a_a_a:C-N-Ti-V +mp-1194833,P3RuW2O15,-8.2827571613,-2.3003332951,0.0,-0.0035392775,GGA+U,C2/c,A15B3CD2_mC336_15_30f_2e5f_2f_4f:O-P-Ru-W,168.0,A15B3CD2_mC336_15_30f_2e5f_2f_4f:O-P-Ru-W +mp-1209466,U4Co2S2O27,-7.73424474,-1.9852227238,0.277521722,0.277521722,GGA+U,C2/m,A2B27C2D4_mC140_12_2i_7i10j_gh_2j:Co-O-S-U,70.0,A2B27C2D4_mC140_12_2i_7i10j_gh_2j:Co-O-S-U +mp-558475,K4Nb2S10O,-5.5445420331,-1.3706953714,0.0008037065,0.0008037065,GGA,Pca2_1,A4B2CD10_oP68_29_4a_2a_a_10a:K-Nb-O-S,68.0,"Invalid WP multiplicities - A4B2CD10_oP68_29_15a_6a_a_36a:K-Nb-O-S, expected K15Nb6S36O to be K4Nb2S10O" +mp-17499,K7Nb(SO4)6,-6.5091261679,-2.2614070642,0.0,-0.0149545943,GGA,R-3,A7BC24D6_hR114_148_af_b_4f_f:K-Nb-O-S,38.0,"Invalid WP multiplicities - A7BC24D6_hR114_148_af_b_5f_f:K-Nb-O-S, expected K7Nb(SO5)6 to be K7Nb(SO4)6" +mp-559516,K3Nb(SO4)4,-6.7745810397,-2.227692676,0.0,-0.0388087095,GGA,Pnma,A3BC16D4_oP96_62_cd_c_4c6d_2cd:K-Nb-O-S,96.0,"Invalid WP multiplicities - A3BC16D4_oP96_62_3c3d_c_16c43d_7c5d:K-Nb-O-S, expected K9Nb(SO6)17 to be K3Nb(SO4)4" +mp-15833,Zn4P6SN12,-6.8956305887,-0.7350576127,0.0,-0.1528884388,GGA,I-43m,A12B6CD4_cI46_217_g_d_a_c:N-P-S-Zn,23.0,A12B6CD4_cI46_217_g_d_a_c:N-P-S-Zn +mp-1102523,Zn2PN3,-6.044057075,-0.5536779914000001,0.0,-0.3033195969,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-P-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-P-Zn +mp-1195998,ThV2H4O9,-7.5541269084,-2.3245785977,0.0102188136,0.0102188136,GGA+U,P-1,A4B9CD2_aP32_2_4i_9i_i_2i:H-O-Th-V,32.0,A4B9CD2_aP32_2_4i_9i_i_2i:H-O-Th-V +mp-560376,RbV2I3O13,-6.1351668245,-1.5101458503,0.0,-0.0070848911,GGA+U,Ima2,A3B13CD2_oI76_46_bc_a2b5c_b_c:I-O-Rb-V,38.0,"Invalid WP multiplicities - A3B13CD2_oI76_46_b2c_2a4b19c_b_c:I-O-Rb-V, expected RbV2I5O44 to be RbV2I3O13" +mp-672346,RbVI3,-4.0281096957,-1.1312018572,0.0222280823,0.0222280823,GGA,P6_3cm,A3BC_hP30_185_cd_c_ab:I-Rb-V,30.0,"Invalid WP multiplicities - A3BC_hP30_185_6c5d_c_2a2b:I-Rb-V, expected Rb(VI8)2 to be RbVI3" +mp-556847,RbV(IO4)2,-5.8688866196,-1.4868297419,0.0,-0.0030846577,GGA+U,P-1,A2B8CD_aP24_2_2i_8i_i_i:I-O-Rb-V,24.0,"Invalid WP multiplicities - A2B8CD_aP24_2_3i_16i_i_i:I-O-Rb-V, expected RbVI3O16 to be RbV(IO4)2" +mp-1215728,YV2BiO8,-8.34323138,-2.6725412072,0.0035708971,0.0035708971,GGA+U,I-4m2,AB8C2D_tI24_119_a_2i_bc_d:Bi-O-V-Y,12.0,"Invalid WP multiplicities - AB8C2D_tI24_119_a_6i_bc_d:Bi-O-V-Y, expected YV2BiO24 to be YV2BiO8" +mp-1048842,Ba2YW2F11,-6.8376355985,-3.2597012176,0.2577021562,0.2577021562,GGA+U,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-W-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-W-Y, expected Ba5YW5F31 to be Ba2YW2F11" +mp-1403507,YWF5,-7.23818472,-3.0978995513,0.3708820139,0.3708820139,GGA+U,Immm,A5BC_oI14_71_ceg_b_a:F-W-Y,7.0,A5BC_oI14_71_ceg_b_a:F-W-Y +mp-1041588,Y(WF5)3,-6.8119178526,-2.9164943623,0.0903126814,0.0903126814,GGA+U,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-W-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-W-Y, expected Y(WF9)6 to be Y(WF5)3" +mp-1246132,K3YN2,-4.6369437842,-0.2251674834,0.4901349773,0.4901349773,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:K-N-Y,48.0,A3B2C_cI96_206_e_ad_c:K-N-Y +mp-1189218,K3YN6,-4.7234345065,1.2582292439,1.9102587494,1.9102587494,GGA,R32,A3B6C_hR60_155_de_2f_c:K-N-Y,20.0,A3B6C_hR60_167_e_f_b:K-N-Y +mp-758742,KY(H2N)4,-5.5129796136,-0.6512183193000001,0.0,-0.0183625982,GGA,C2/c,A8BC4D_mC56_15_4f_e_2f_e:H-K-N-Y,28.0,"Invalid WP multiplicities - A8BC4D_mC56_15_13f_e_7f_e:H-K-N-Y, expected KY(H13N7)2 to be KY(H2N)4" +mp-695892,KH(IF6)2,-4.0351228312,-2.1358974999,0.0,-0.010356134,GGA,I4/mcm,A12BC2D_tI64_140_ghm_b_h_a:F-H-I-K,32.0,A12BC2D_tI64_140_ghm_b_h_a:F-H-I-K +mp-1112271,K2VAgF6,-5.25562699,-2.6950136128,0.0767459739,0.0767459739,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-V,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-V +mp-753054,KI(OF)2,-4.5513627492,-1.8346793067,0.0390658525,-0.0678920574,GGA,Pca2_1,A2BCD2_oP24_29_2a_a_a_2a:F-I-K-O,24.0,"Invalid WP multiplicities - A2BCD2_oP24_29_5a_a_a_5a:F-I-K-O, expected KI(OF)5 to be KI(OF)2" +mp-558861,KI(OF)2,-4.5904286017,-1.8737451593,0.0,-0.1069579099,GGA,Pca2_1,A2BCD2_oP24_29_2a_a_a_2a:F-I-K-O,24.0,"Invalid WP multiplicities - A2BCD2_oP24_29_4a_a_a_4a:F-I-K-O, expected KI(OF)4 to be KI(OF)2" +mp-683936,Ba4LaGe3SbSe13,-4.9149239526,-1.4577948217,0.0,-0.014443155,GGA,P2_1/c,A4B3CDE13_mP88_14_4e_3e_e_e_13e:Ba-Ge-La-Sb-Se,88.0,"Invalid WP multiplicities - A4B3CDE13_mP88_14_11e_8e_e_e_52e:Ba-Ge-La-Sb-Se, expected Ba11LaGe8SbSe52 to be Ba4LaGe3SbSe13" +mp-1201929,BaLa(SbSe3)2,-4.988319605,-1.3794742659,0.0,-0.011576617,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ba-La-Sb-Se,40.0,ABC2D6_mP40_14_e_e_2e_6e:Ba-La-Sb-Se +mp-635393,Ca2PI,-4.15440628,-1.4299391258,0.087147055,-0.0714966848,GGA,P1,A2BC_aP4_1_2a_a_a:Ca-I-P,4.0,A2BC_aP4_1_2a_a_a:Ca-I-P +mp-23040,Ca2PI,-4.241553335,-1.5170861808,0.0,-0.1586437398,GGA,R-3m,A2BC_hR12_166_c_a_b:Ca-I-P,4.0,A2BC_hR12_166_c_a_b:Ca-I-P +mp-729562,CaPIO8,-6.0084998905,-1.6025200335,0.2503658777,0.2503658777,GGA,P2/c,ABC8D_mP22_13_e_f_4g_e:Ca-I-O-P,22.0,ABC8D_mP22_13_e_f_4g_e:Ca-I-O-P +mp-27272,Ca3PI3,-3.9699427789,-1.7056283223,0.0,-0.0123610318,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ca-I-P,28.0,A3B3C_cI56_214_g_h_a:Ca-I-P +mp-1200252,YP4NO12,-7.6482559626,-2.3251203738,0.363616103,0.363616103,GGA,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:N-O-P-Y,72.0,AB12C4D_oC144_20_c_12c_ab3c_c:N-O-P-Y +mp-1221832,MnCdCu4(SnSe4)2,-4.4855542781,-0.5812938242,0.0036893477,0.0036893477,GGA,C2,AB4CD8E2_mC32_5_a_2c_b_4c_c:Cd-Cu-Mn-Se-Sn,16.0,"Invalid WP multiplicities - AB4CD8E2_mC32_5_a_4c_b_8c_c:Cd-Cu-Mn-Se-Sn, expected MnCdCu8(SnSe8)2 to be MnCdCu4(SnSe4)2" +mp-22400,MnCu2SnSe4,-4.9790512112,-0.5598454115,0.0,-0.0153110971,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Mn-Se-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Mn-Se-Sn +mp-16565,CdCu2SnSe4,-3.9939170613,-0.6046019530000001,0.0055189792,0.0055189792,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Cd-Cu-Se-Sn,8.0,AB2C4D_tI16_121_a_d_i_b:Cd-Cu-Se-Sn +mp-24240,K3B12H12I,-4.9477815111000005,-0.4595680475,0.0857481464,0.0857481464,GGA,R-3m,A12B12CD3_hR84_166_2h_2h_a_d:B-H-I-K,28.0,"Invalid WP multiplicities - A12B12CD3_hR84_166_3h_3h_a_d:B-H-I-K, expected K3B18H18I to be K3B12H12I" +mp-1197756,KY(BH4)4,-4.471428632,-0.4451534564,8.45052e-05,8.45052e-05,GGA,Cmcm,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-K-Y,44.0,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-K-Y +mp-1216277,Zn4FeCu10(SnSe4)5,-4.2096969708,-0.5980181913,0.0158325142,0.0158325142,GGA,C2,A10BC20D5E4_mC80_5_5c_a_10c_b2c_2c:Cu-Fe-Se-Sn-Zn,40.0,"Invalid WP multiplicities - A10BC20D5E4_mC80_5_9c_a_20c_b3c_3c:Cu-Fe-Se-Sn-Zn, expected Zn6FeCu18Sn7Se40 to be Zn4FeCu10(SnSe4)5" +mp-1215879,Zn4Cu11(SnSe4)5,-4.1069435222,-0.6045351063000001,0.004902874,0.004902874,GGA,I-4,A11B20C5D4_tI80_82_abc2g_5g_dg_g:Cu-Se-Sn-Zn,40.0,"Invalid WP multiplicities - A11B20C5D4_tI80_82_abc3g_20g_d2g_g:Cu-Se-Sn-Zn, expected Zn4Cu15Sn9Se80 to be Zn4Cu11(SnSe4)5" +mp-21865,FeCu2Sn,-4.94798379,0.2215178113,0.233173465,0.233173465,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Fe-Sn,4.0,A2BC_cF16_225_c_a_b:Cu-Fe-Sn +mp-1323588,ZnCu4(SnSe4)2,-4.1256545093,-0.5494541212,0.0317576481,0.0317576481,GGA,C2,A4B8C2D_mC30_5_2c_4c_c_a:Cu-Se-Sn-Zn,15.0,"Invalid WP multiplicities - A4B8C2D_mC30_5_3c_8c_c_a:Cu-Se-Sn-Zn, expected ZnCu6(SnSe8)2 to be ZnCu4(SnSe4)2" +mp-1078918,ZnCu2SnSe4,-4.0601779225,-0.6287560830000001,0.0053519254,0.0053519254,GGA,I-4,A2B4CD_tI16_82_ac_g_b_d:Cu-Se-Sn-Zn,8.0,A2B4CD_tI16_82_ac_g_b_d:Cu-Se-Sn-Zn +mp-16564,ZnCu2SnSe4,-4.0567985013,-0.6253766618000001,0.0087313467,0.0087313467,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Cu-Se-Sn-Zn,8.0,A2B4CD_tI16_121_d_i_a_b:Cu-Se-Sn-Zn +mp-1216393,Zn3Fe2Cu10(SnSe4)5,-4.3614835995,-0.56954788,0.0240455225,0.0240455225,GGA,C2,A10B2C20D5E3_mC80_5_5c_c_10c_a2c_bc:Cu-Fe-Se-Sn-Zn,40.0,"Invalid WP multiplicities - A10B2C20D5E3_mC80_5_10c_c_20c_a3c_b2c:Cu-Fe-Se-Sn-Zn, expected Zn5Fe2Cu20Sn7Se40 to be Zn3Fe2Cu10(SnSe4)5" +mp-22612,FeCu2SnSe4,-4.81829363,-0.4855870905,0.0472344032,0.0472344032,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-Se-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-Se-Sn +mp-1225270,FeCu2SnSe4,-4.7252438875,-0.392537348,0.1402841457,0.1402841457,GGA,R3m,A2BC4D_hR24_160_2a_a_4a_a:Cu-Fe-Se-Sn,8.0,A2BC4D_hR24_160_2a_a_4a_a:Cu-Fe-Se-Sn +mp-1225320,Fe2Cu3(Sn3Se8)2,-4.626759217,-0.5812156169,0.0359115308,0.0359115308,GGA,Pm,A3B2C16D6_mP27_6_2ab_ab_4a4b4c_ab2c:Cu-Fe-Se-Sn,27.0,"Invalid WP multiplicities - A3B2C16D6_mP27_6_2ab_ab_4a4b8c_ab4c:Cu-Fe-Se-Sn, expected Fe2Cu3(Sn5Se12)2 to be Fe2Cu3(Sn3Se8)2" +mp-1216244,Zn2Fe3Cu10(SnSe4)5,-4.5133906045,-0.5411979450000001,0.0321381546,0.0321381546,GGA,I222,A10B3C20D5E2_oI80_23_g2k_be_5k_c2f_e:Cu-Fe-Se-Sn-Zn,40.0,"Invalid WP multiplicities - A10B3C20D5E2_oI80_23_2g5k_b2e_20k_c2f_e:Cu-Fe-Se-Sn-Zn, expected Zn2Fe5Cu24(SnSe16)5 to be Zn2Fe3Cu10(SnSe4)5" +mp-1197482,BP4(SI)3,-4.4999306814,-0.3942897315,0.0467223071,0.0467223071,GGA,Pnma,AB3C4D3_oP44_62_c_cd_2cd_cd:B-I-P-S,44.0,AB3C4D3_oP44_62_c_cd_2cd_cd:B-I-P-S +mp-686088,Nb8P15O56,-8.3136171635,-2.7563444325,0.0375988166,0.0375988166,GGA,R3,A8B56C15_hR237_146_2a2b_2a18b_3a4b:Nb-O-P,79.0,"Invalid WP multiplicities - A8B56C15_hR237_146_2a4b_2a51b_3a12b:Nb-O-P, expected Nb14P39O155 to be Nb8P15O56" +mp-540332,Nb2(PO4)3,-8.4841248544,-2.8486670818,0.0008437044,-0.0209578534,GGA,P-1,A2B12C3_aP34_2_2i_12i_3i:Nb-O-P,34.0,"Invalid WP multiplicities - A2B12C3_aP34_2_3i_23i_5i:Nb-O-P, expected Nb3P5O23 to be Nb2(PO4)3" +mp-26390,Nb2(PO4)3,-8.4814903593,-2.8460325866,0.0034781996,-0.0183233582,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Nb-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_7e_44e_10e:Nb-O-P, expected Nb7(P5O22)2 to be Nb2(PO4)3" +mp-17242,Nb2(PO4)3,-8.4849685588,-2.8495107862,0.0,-0.0218015578,GGA,R-3c,A2B12C3_hR102_167_c_2f_e:Nb-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_3f_e:Nb-O-P, expected Nb2(PO6)3 to be Nb2(PO4)3" +mp-1220604,Nb9PO25,-9.3005745031,-3.0150811989,0.0008112889,-0.0008340645,GGA,C2,A9B25C_mC70_5_a4c_a12c_b:Nb-O-P,35.0,A9B25C_mC70_5_a4c_a12c_b:Nb-O-P +mp-17677,Nb9PO25,-9.301385792,-3.0158924878,0.0,-0.0016453533,GGA,I-4,A9B25C_tI70_82_a2g_b6g_c:Nb-O-P,35.0,"Invalid WP multiplicities - A9B25C_tI70_82_a3g_b7g_c:Nb-O-P, expected Nb13PO29 to be Nb9PO25" +mp-758233,Nb9PO25,-9.3006403099,-3.0151470056,0.0007454821,-0.0008998712,GGA,P4/n,A9B25C_tP70_85_c2g_c6g_a:Nb-O-P,70.0,"Invalid WP multiplicities - A9B25C_tP70_85_2c10g_2c38g_a:Nb-O-P, expected Nb42PO154 to be Nb9PO25" +mp-1249497,Sr4Nb3PO14,-8.3085170195,-3.2299336833,0.0646303386,0.0646303386,GGA,P1,A3B14CD4_aP22_1_3a_14a_a_4a:Nb-O-P-Sr,22.0,A3B14CD4_aP22_1_3a_14a_a_4a:Nb-O-P-Sr +mp-1250263,Sr4Nb3PO14,-8.289340405,-3.2107570687,0.0838069532,0.0838069532,GGA,P1,A3B14CD4_aP22_1_3a_14a_a_4a:Nb-O-P-Sr,22.0,A3B14CD4_aP22_1_3a_14a_a_4a:Nb-O-P-Sr +mp-772038,Nb18P3O50,-9.2061564468,-2.93294752,0.0629939877,0.0629939877,GGA,P1,A18B50C3_aP71_1_18a_50a_3a:Nb-O-P,71.0,A18B50C3_aP71_1_18a_50a_3a:Nb-O-P +mp-757155,Nb(PO3)4,-7.9466739353,-2.5869810175,0.0433071566,0.0433071566,GGA,C2/c,AB12C4_mC68_15_c_6f_2f:Nb-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_21f_5f:Nb-O-P, expected Nb(P5O21)2 to be Nb(PO3)4" +mp-32303,Nb(PO3)4,-7.9576559591,-2.5979630414,0.0323251328,0.0323251328,GGA,C2/c,AB12C4_mC68_15_e_6f_2f:Nb-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_21f_5f:Nb-O-P, expected Nb(P5O21)2 to be Nb(PO3)4" +mp-26550,Nb(PO3)4,-7.9670958226,-2.6074029049,0.0228852693,0.0228852693,GGA,Pbcn,AB12C4_oP68_60_c_6d_2d:Nb-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_40d_9d:Nb-O-P, expected Nb(P9O40)2 to be Nb(PO3)4" +mp-645743,VAgTeO5,-6.6175004197,-1.6433489793,0.0128826322,0.0128826322,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Ag-O-Te-V,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Ag-O-Te-V, expected VAgTeO15 to be VAgTeO5" +mp-1179711,RbSn2(PO4)3,-7.2413457333,-2.5413540757,0.0,-0.0412101391,GGA,R-3,A12B3CD2_hR108_148_4f_f_ab_2c:O-P-Rb-Sn,36.0,A12B3CD2_hR108_148_4f_f_ab_2c:O-P-Rb-Sn +mp-1120735,VIn3Se4,-4.6038554525,-0.6885300562000001,0.1003294258,0.1003294258,GGA,I-43m,A3B4C_cI16_217_b_c_a:In-Se-V,8.0,A3B4C_cI16_217_b_c_a:In-Se-V +mp-1191502,VIn(SeO4)2,-6.5783541404,-1.7116106033,0.0,-0.006587749,GGA+U,Pm,AB8C2D_mP24_6_c_3a3b5c_2a2b_c:In-O-Se-V,24.0,AB8C2D_mP24_6_c_3a3b5c_2a2b_c:In-O-Se-V +mp-1046662,Ca4V5(TeO6)3,-7.4467359215,-2.3829944431,0.1669946641,0.1669946641,GGA+U,C2,A4B18C3D5_mC120_5_4c_18c_3c_ab4c:Ca-O-Te-V,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_5_7c_36c_4c_ab8c:Ca-O-Te-V, expected Ca7V9(TeO9)4 to be Ca4V5(TeO6)3" +mp-557097,VCuSe2O7,-6.4749828484,-1.4930049689,0.0087426175,0.0087426175,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-Se-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_4e_e:Cu-O-Se-V, expected VCu(SeO6)4 to be VCuSe2O7" +mp-1046091,Mg2Ta2VO8,-8.9274799448,-3.1141313971,0.005901367,0.005901367,GGA+U,C2/c,A2B8C2D_mC52_15_f_4f_f_e:Mg-O-Ta-V,52.0,A2B8C2D_mC52_15_f_4f_f_e:Mg-O-Ta-V +mp-1348043,Mg2TaVO6,-8.370352349000001,-2.9881147423,0.0849814516,0.0849814516,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Ta-V,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Mg-O-Ta-V, expected Mg3TaVO18 to be Mg2TaVO6" +mp-1225149,Gd5Si2BO13,-10.9150054817,-3.6665487066,0.0114946946,0.0114946946,GGA,Pm,AB5C13D2_mP42_6_ab_3a3b2c_7a7b6c_2a2b:B-Gd-O-Si,42.0,"Invalid WP multiplicities - AB5C13D2_mP42_6_ab_3a3b3c_7a7b12c_2a2b:B-Gd-O-Si, expected Gd6Si2BO19 to be Gd5Si2BO13" +mp-1198316,Gd3Si2BO10,-10.403909382,-3.577329278,0.0123474869,0.0123474869,GGA,Pbca,AB3C10D2_oP128_61_c_3c_10c_2c:B-Gd-O-Si,128.0,AB3C10D2_oP128_61_c_3c_10c_2c:B-Gd-O-Si +mp-559155,LiMg4V3O12,-7.4707743032,-2.7246730127000003,0.0022388422,0.0022388422,GGA+U,I-42d,AB4C12D3_tI80_122_a_cd_3e_bd:Li-Mg-O-V,40.0,"Invalid WP multiplicities - AB4C12D3_tI80_122_a_2c2d_21e_2b2d:Li-Mg-O-V, expected LiMg8V6O84 to be LiMg4V3O12" +mp-771733,Li3MgV8O16,-8.22995106,-2.5461897532,0.0229300291,0.0229300291,GGA+U,Cm,A3BC16D8_mC56_8_3a_a_8a4b_4a2b:Li-Mg-O-V,28.0,"Invalid WP multiplicities - A3BC16D8_mC56_8_3a_a_8a7b_4a3b:Li-Mg-O-V, expected Li3MgV10O22 to be Li3MgV8O16" +mp-757105,Li3MgV8O16,-8.1851402393,-2.5013789325,0.0677408498,0.0677408498,GGA+U,R3m,A3BC16D8_hR84_160_3a_a_4a4b_2a2b:Li-Mg-O-V,28.0,"Invalid WP multiplicities - A3BC16D8_hR84_160_3a_a_4a7b_2a3b:Li-Mg-O-V, expected Li3MgV11O25 to be Li3MgV8O16" +mp-1021682,LiMg6V,-2.4141421519,0.1601715027,0.1950581504,0.1950581504,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-V, expected LiMg12V to be LiMg6V" +mp-1021691,LiMg6V,-2.4116991312,0.1626145233,0.197501171,0.197501171,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-V,8.0,AB6C_oC16_38_a_abde_b:Li-Mg-V +mp-560157,LiMgVO4,-7.2897911057,-2.6640962726,0.0,-0.0014003519,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Mg-O-V,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_a_3f2g_c:Li-Mg-O-V, expected LiMgVO10 to be LiMgVO4" +mp-1028320,LiMg14V,-2.0069232887,0.0803735635,0.1111923116,0.1111923116,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-V, expected LiMg18V to be LiMg14V" +mp-1028313,LiMg14V,-2.0106119931,0.0766848592,0.1075036072,0.1075036072,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-V, expected LiMg26V to be LiMg14V" +mp-1212971,DyBeNF6,-5.78466393,-2.6567118817,0.5132770435,0.5132770435,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-N,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Dy-F-N +mp-7385,K2Be2PbF8,-5.44778666,-3.2397787805,0.0030410808,0.0030410808,GGA,R-3m,A2B8C2D_hR39_166_c_ch_c_a:Be-F-K-Pb,13.0,"Invalid WP multiplicities - A2B8C2D_hR39_166_c_c2h_c_a:Be-F-K-Pb, expected K2Be2PbF14 to be K2Be2PbF8" +mp-1112078,K2TlAgI6,-2.5799776320000003,-0.9543581176,0.093092617,0.093092617,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Tl +mp-1223639,K2MgCuF6,-4.885084143,-2.9461683011,0.008805969,0.008805969,GGA,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Cu-F-K-Mg,10.0,"Invalid WP multiplicities - AB6C2D_tP10_123_a_2e2fg_h_b:Cu-F-K-Mg, expected K2MgCuF10 to be K2MgCuF6" +mp-1223641,K2MgCuF6,-4.871712941,-2.9327970991,0.022177171,0.022177171,GGA,P4/mmm,AB6C2D_tP10_123_a_bdj_e_c:Cu-F-K-Mg,10.0,AB6C2D_tP10_123_a_bdj_e_c:Cu-F-K-Mg +mp-1223957,K4MgCu3F12,-4.7150543675000005,-2.6511921946,0.0073285885,0.0073285885,GGA,Cmmm,A3B12C4D_oC40_65_ag_cde2ghi_q_b:Cu-F-K-Mg,20.0,"Invalid WP multiplicities - A3B12C4D_oC40_65_a2g_cd2e2g2h2i_q_b:Cu-F-K-Mg, expected K4MgCu5F18 to be K4MgCu3F12" +mp-1224040,K4MgCu3F12,-4.7079262325,-2.6440640596,0.0144567235,0.0144567235,GGA,Cmmm,A3B12C4D_oC40_65_abc_ghijkl_m_d:Cu-F-K-Mg,20.0,"Invalid WP multiplicities - A3B12C4D_oC40_65_abc_2ghi2j2kl_m_d:Cu-F-K-Mg, expected K4MgCu3F18 to be K4MgCu3F12" +mp-1147665,K4MgCu3F12,-4.7077424495,-2.6438802766,0.0146405065,0.0146405065,GGA,Im-3m,A3B12C4D_cI40_229_b_de_c_a:Cu-F-K-Mg,20.0,"Invalid WP multiplicities - A3B12C4D_cI40_229_b_2de_c_a:Cu-F-K-Mg, expected K4MgCu3F18 to be K4MgCu3F12" +mp-1223920,K3MgCu2F9,-4.773654456,-2.7514410601,0.005897552,0.005897552,GGA,P4/mmm,A2B9C3D_tP15_123_g_aegi_ch_b:Cu-F-K-Mg,15.0,"Invalid WP multiplicities - A2B9C3D_tP15_123_g_a2eg2i_ch_b:Cu-F-K-Mg, expected K3MgCu2F15 to be K3MgCu2F9" +mp-1022100,KMg6Cu,-1.6190406187000002,0.2323701209,0.2851732381,0.2851732381,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-K-Mg, expected KMg12Cu to be KMg6Cu" +mp-1022143,KMg6Cu,-1.6554398963,0.1959708434,0.2487739606,0.2487739606,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-K-Mg, expected KMg12Cu to be KMg6Cu" +mp-1377308,MgCuF5,-4.7082619336,-2.5287074254,0.0019668529,-0.1105559839,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Cu-F-Mg,28.0,AB5C_mP28_14_e_5e_e:Cu-F-Mg +mp-1404142,MgCuF5,-4.7102287864,-2.5306742782,0.0,-0.1125228368,GGA,C2/c,AB5C_mC28_15_a_e2f_e:Cu-F-Mg,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Cu-F-Mg, expected MgCuF7 to be MgCuF5" +mp-1027838,KMg14Cu,-1.6030149469,0.1228304479,0.1575042051,0.1575042051,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-K-Mg, expected KMg18Cu to be KMg14Cu" +mp-1027836,KMg14Cu,-1.5982094719000002,0.1276359229,0.1623096801,0.1623096801,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-K-Mg, expected KMg26Cu to be KMg14Cu" +mp-1412709,MgCuF4,-4.9577997133,-2.7335659483,0.0876107333,0.0876107333,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Cu-F-Mg,12.0,AB4C_tI24_140_d_l_a:Cu-F-Mg +mp-1111194,K2YTlBr6,-3.989472699,-1.9526644856,0.065722275,0.065722275,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Br-K-Tl-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Br-K-Tl-Y +mp-1112287,K2CrAgF6,-5.345708778,-2.7281812608,0.0098209839,0.0098209839,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Cr-F-K +mp-733675,K6Na15Tl18H,-1.9188820415,-0.1083676473,0.0190807113,0.0190807113,GGA,Pm-3,AB6C15D18_cP40_200_a_f_bgi_ek:H-K-Na-Tl,40.0,AB6C15D18_cP40_200_a_f_bgi_ek:H-K-Na-Tl +mp-1213906,CrRu(NF)6,-5.2764598612,0.4674896648,1.8766947434,1.8766947434,GGA+U,Pa-3,AB6C6D_cP56_205_a_d_d_b:Cr-F-N-Ru,56.0,AB6C6D_cP56_205_a_d_d_b:Cr-F-N-Ru +mp-1079140,Al(NF2)3,-4.166557141,-0.1441637,1.4039842012,1.4039842012,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Al-F-N,10.0,AB6C3_cF40_225_a_e_bc:Al-F-N +mp-1215079,Al(NF3)4,-4.0837171224,-0.5525816435,0.3580935925,0.3580935925,GGA,Fd-3m,AB12C4_cF136_227_a_g_e:Al-F-N,34.0,AB12C4_cF136_227_a_g_e:Al-F-N +mp-1077280,AlNF4,-4.979454055,-1.6914562842,0.8887902179,0.8887902179,GGA,P4/mmm,AB4C_tP6_123_b_eg_c:Al-F-N,6.0,AB4C_tP6_123_b_eg_c:Al-F-N +mp-1102001,AlNF4,-4.9833622158,-1.695364445,0.8848820571,0.8848820571,GGA,I4/mcm,AB4C_tI24_140_c_fh_b:Al-F-N,12.0,AB4C_tI24_140_c_fh_b:Al-F-N +mp-1197328,AlNF4,-5.2103209818,-1.922323211,0.6579232911,0.6579232911,GGA,I4/mcm,AB4C_tI120_140_dk_gh2km_al:Al-F-N,60.0,AB4C_tI120_140_dk_gh2km_al:Al-F-N +mp-989399,Ca6Al2NF,-3.942354003,-0.9650815198,0.0504512861,0.0504512861,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Al-Ca-F-N,10.0,A2B6CD_cF40_225_c_e_a_b:Al-Ca-F-N +mp-28555,RbSF5,-4.4200326829,-2.3236928576,0.0,-0.0756052873,GGA,Pnma,A5BC_oP28_62_c2d_c_c:F-Rb-S,28.0,"Invalid WP multiplicities - A5BC_oP28_62_c3d_c_c:F-Rb-S, expected RbSF7 to be RbSF5" +mp-989388,Rb2SCl6F,-2.848988542,-0.9389668481,0.4705631672,0.4705631672,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-F-Rb-S,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-F-Rb-S +mp-557086,TmMoO4F,-8.2966134489,-3.0080821138,0.0,-0.0502991355,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:F-Mo-O-Tm,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_16e_e:F-Mo-O-Tm, expected TmMoO16F to be TmMoO4F" +mp-1079615,Ba2UCdO6,-7.684070312,-3.1108321202,0.0,-0.0508247785,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cd-O-U +mp-731744,FeS4Br4N5,-5.0499038604,0.1579824698,0.5030891665,0.5030891665,GGA,Cc,A4BC5D4_mC56_9_4a_a_5a_4a:Br-Fe-N-S,28.0,A4BC5D4_mC56_9_4a_a_5a_4a:Br-Fe-N-S +mp-1193765,FeS4Br4N5,-4.9419076675,0.2659786627,0.6110853594,0.6110853594,GGA,Cc,A4BC5D4_mC56_9_4a_a_5a_4a:Br-Fe-N-S,28.0,A4BC5D4_mC56_9_4a_a_5a_4a:Br-Fe-N-S +mp-1213553,FeBr4N,-3.9709483479,-0.1345101054,0.4165271321,0.4165271321,GGA,P2/c,A4BC_mP24_13_4g_g_ef:Br-Fe-N,24.0,A4BC_mP24_13_4g_g_ef:Br-Fe-N +mp-1079633,Fe(BrN)2,-4.699941681,0.949871863,1.461439653,1.461439653,GGA,Pbam,A2BC2_oP10_55_h_a_g:Br-Fe-N,10.0,A2BC2_oP10_55_h_a_g:Br-Fe-N +mp-9723,Sr4Li(BN2)3,-6.8767352279,-1.2535894034,0.0,-0.0389761547,GGA,Im-3m,A3BC6D4_cI28_229_b_a_e_c:B-Li-N-Sr,14.0,A3BC6D4_cI28_229_b_a_e_c:B-Li-N-Sr +mp-560866,LiLa(PO3)4,-7.8248050653,-2.9437825912,0.0,-0.016399982,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:La-Li-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:La-Li-O-P +mp-8407,Li3LaP2,-4.59283756,-1.0112741069,0.0,-0.0241367792,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:La-Li-P,6.0,AB3C2_hP6_164_a_bd_d:La-Li-P +mp-557655,GdTlS2,-7.9139739875,-1.7360577074,0.0,-0.0558955232,GGA,R-3m,AB2C_hR12_166_a_c_b:Gd-S-Tl,4.0,AB2C_hR12_166_a_c_b:Gd-S-Tl +mp-1212921,GdTlS2O9,-7.3491073167,-2.0235793535,0.0203683958,0.0203683958,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Gd-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Gd-O-S-Tl +mp-1189614,BaThO3,-8.610439182,-3.7758593173,0.0,-0.024964754,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ba-O-Th,20.0,AB3C_oP20_62_c_cd_a:Ba-O-Th +mp-8037,BaThO3,-8.527033092,-3.6924532273,0.08340609,0.058441336,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-Th,5.0,AB3C_cP5_221_a_c_b:Ba-O-Th +mp-1192105,BaTh(PO4)2,-8.4017846013,-3.4240389435000003,0.0,-0.0186246808,GGA,C2/c,AB8C2D_mC48_15_c_4f_f_e:Ba-O-P-Th,24.0,AB8C2D_mC48_15_a_4f_f_e:Ba-O-P-Th +mp-560493,Ba2V(CuS2)3,-5.4791796329,-1.3093317028,0.0385179746,0.0385179746,GGA,C2/c,A2B3C6D_mC48_15_f_ef_3f_e:Ba-Cu-S-V,24.0,"Invalid WP multiplicities - A2B3C6D_mC48_15_f_e2f_11f_e:Ba-Cu-S-V, expected Ba2VCu5S22 to be Ba2V(CuS2)3" +mp-1208685,SrU(MoO4)4,-8.59910881,-2.4395395698,0.0,-0.0051708941,GGA+U,P2/c,A4B16CD_mP44_13_2g_ef7g_e_f:Mo-O-Sr-U,44.0,A4B16CD_mP44_13_2g_ef7g_e_f:Mo-O-Sr-U +mp-1210364,Na2Sm2B2O7,-7.7571967396,-3.1365946337,0.0,-0.0287637806,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:B-Na-O-Sm,52.0,A2B2C7D2_mP52_14_2e_2e_7e_2e:B-Na-O-Sm +mp-1210282,Na3Sm9B8O27,-8.3261666034,-3.3595585084,0.0031373752,0.0031373752,GGA,P-62m,A8B3C27D9_hP47_189_ceh_f_gijl_gi:B-Na-O-Sm,47.0,A8B3C27D9_hP47_189_ceh_f_gijl_gi:B-Na-O-Sm +mp-16928,Ba6Lu2(WO6)3,-8.2369674783,-3.1172937482,0.0,-0.0305035985,GGA+U,R-3m,A6B2C18D3_hR87_166_3c_c_3h_ac:Ba-Lu-O-W,29.0,"Invalid WP multiplicities - A6B2C18D3_hR87_166_3c_c_4h_ac:Ba-Lu-O-W, expected Ba6Lu2(WO8)3 to be Ba6Lu2(WO6)3" +mp-675198,BaW6O19,-8.6578149615,-1.9787825833,0.3372234389,0.3372234389,GGA+U,Cm,AB19C6_mC52_8_a_3a8b_2a2b:Ba-O-W,26.0,"Invalid WP multiplicities - AB19C6_mC52_8_a_3a16b_2a4b:Ba-O-W, expected Ba(W2O7)5 to be BaW6O19" +mp-18867,Ba3W2O9,-8.2479936246,-2.805609076,0.0046834445,0.0046834445,GGA+U,R-3c,A3B9C2_hR84_167_e_ef_c:Ba-O-W,28.0,"Invalid WP multiplicities - A3B9C2_hR84_167_e_e2f_c:Ba-O-W, expected Ba3W2O15 to be Ba3W2O9" +mp-1048194,Ba2W3O8,-8.5805536946,-2.2508729054,0.2691055623,0.2691055623,GGA+U,P-4m2,A2B8C3_tP13_115_f_e3g_ae:Ba-O-W,13.0,"Invalid WP multiplicities - A2B8C3_tP13_115_f_2e6g_a2e:Ba-O-W, expected Ba2W5O16 to be Ba2W3O8" +mp-675218,Ba11W4O23,-7.6003018691,-2.6867469844,0.180157112,0.180157112,GGA+U,P1,A11B23C4_aP76_1_22a_46a_8a:Ba-O-W,76.0,A11B23C4_aP76_1_22a_46a_8a:Ba-O-W +mp-1247867,Ba11W4O23,-7.7340431593,-2.8204882746,0.0464158218,0.0464158218,GGA+U,P1,A11B23C4_aP76_1_22a_46a_8a:Ba-O-W,76.0,A11B23C4_aP76_1_22a_46a_8a:Ba-O-W +mp-28403,Ba2WO5,-8.0617198641,-2.8705294058,0.0,-0.0397835501,GGA+U,Pnma,A2B5C_oP32_62_2c_a2cd_c:Ba-O-W,32.0,A2B5C_oP32_62_2c_a2cd_c:Ba-O-W +mp-1214266,BaWO2,-7.7469302669,-1.5543096187,0.8339715040000001,0.8339715040000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Ba-O-W,16.0,AB2C_tI32_141_c_h_d:Ba-O-W +mp-560531,BaWO4,-8.455426205,-2.6781162025,0.0518604708,-0.0089058485,GGA+U,P2_1/m,AB4C_mP12_11_e_aef_e:Ba-O-W,12.0,"Invalid WP multiplicities - AB4C_mP12_11_e_2a2e2f_e:Ba-O-W, expected BaWO8 to be BaWO4" +mp-542837,BaWO4,-8.4972624873,-2.7199524848000003,0.0100241885,-0.0507421308,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Ba-O-W,48.0,AB4C_mP48_14_2e_8e_2e:Ba-O-W +mp-565970,BaWO4,-8.5044142317,-2.7271042292,0.0028724442,-0.0578938752,GGA+U,C2/c,AB4C_mC24_15_e_2f_e:Ba-O-W,12.0,AB4C_mC24_15_e_2f_e:Ba-O-W +mp-556807,BaWO4,-8.4501369433,-2.6728269408000003,0.0571497325,-0.0036165869,GGA+U,Cmcm,AB4C_oC24_63_c_acf_c:Ba-O-W,12.0,"Invalid WP multiplicities - AB4C_oC24_63_c_2ac2f_c:Ba-O-W, expected BaWO7 to be BaWO4" +mp-1300570,BaWO4,-8.4881325875,-2.710822585,0.0191540883,-0.041612231,GGA+U,I4_1,AB4C_tI24_80_a_2b_a:Ba-O-W,12.0,"Invalid WP multiplicities - AB4C_tI24_80_a_6b_a:Ba-O-W, expected BaWO12 to be BaWO4" +mp-19048,BaWO4,-8.5072866758,-2.7299766733,0.0,-0.0607663194,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Ba-O-W,12.0,AB4C_tI24_88_a_f_b:Ba-O-W +mp-1095315,BaWO4,-8.4862632808,-2.7089532783,0.021023395,-0.0397429244,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Ba-O-W,12.0,AB4C_tI24_141_a_h_b:Ba-O-W +mp-1041454,Ba(WO2)4,-8.6345840785,-1.4557374977,0.7446431458,0.7446431458,GGA+U,P-31m,AB8C4_hP13_162_a_ck_h:Ba-O-W,13.0,AB8C4_hP13_162_a_ck_h:Ba-O-W +mp-867545,Ba(WO3)6,-9.050560437,-2.3022343121,0.0002233452,0.0002233452,GGA+U,C2/m,AB18C6_mC100_12_i_eg6i5j_3j:Ba-O-W,50.0,"Invalid WP multiplicities - AB18C6_mC100_12_i_2e2h12i15j_8j:Ba-O-W, expected Ba(W8O23)2 to be Ba(WO3)6" +mp-753678,Ba(WO3)6,-9.0337905772,-2.2854644523,0.016993205,0.016993205,GGA+U,P31m,AB18C6_hP25_157_a_2c2d_2c:Ba-O-W,25.0,"Invalid WP multiplicities - AB18C6_hP25_157_a_6c10d_5c:Ba-O-W, expected Ba(W5O26)3 to be Ba(WO3)6" +mp-765995,Ba(WO3)6,-9.0404580284,-2.2921319035,0.0103257538,0.0103257538,GGA+U,P6mm,AB18C6_hP25_183_a_2c2e_2c:Ba-O-W,25.0,"Invalid WP multiplicities - AB18C6_hP25_183_a_6c10e_5c:Ba-O-W, expected Ba(W5O26)3 to be Ba(WO3)6" +mp-697853,Ba3WO6,-7.6017687315,-2.7622499997,0.1036873475,0.0990292957,GGA+U,P1,A3B6C_aP20_1_6a_12a_2a:Ba-O-W,20.0,A3B6C_aP20_1_6a_12a_2a:Ba-O-W +mp-1228775,Ba3WO6,-7.705456079,-2.8659373472,0.0,-0.0046580518,GGA+U,P1,A3B6C_aP20_1_6a_12a_2a:Ba-O-W,20.0,A3B6C_aP20_1_6a_12a_2a:Ba-O-W +mp-22086,Ba3WO6,-7.637939702,-2.7984209702,0.067516377,0.0628583252,GGA+U,Fm-3m,A3B6C_cF40_225_ac_e_b:Ba-O-W,10.0,"Invalid WP multiplicities - A3B6C_cF40_225_a2c_e_b:Ba-O-W, expected Ba5WO6 to be Ba3WO6" +mp-1048515,BaW4O7,-8.6238320767,-1.2589723401,0.8700840169,0.8700840169,GGA+U,P6_3mc,AB7C4_hP24_186_b_a2c_ac:Ba-O-W,24.0,AB7C4_hP24_186_b_a2c_ac:Ba-O-W +mp-1048501,Ba2W3O7,-8.4748203917,-2.0298902626,0.4279896098,0.4279896098,GGA+U,Pmmm,A2B7C3_oP12_47_l_cijk_ai:Ba-O-W,12.0,A2B7C3_oP12_47_l_cijk_ai:Ba-O-W +mp-1196168,Ba2WO6,-7.5672312383,-2.4032076408,0.1489372047,0.1489372047,GGA+U,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ba-O-W,36.0,A2B6C_mP36_14_2e_6e_e:Ba-O-W +mp-1183395,BaWO3,-8.40795793,-2.4645236693,0.1584160165,0.1584160165,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Ba-O-W,5.0,AB3C_cP5_221_a_c_b:Ba-O-W +mp-778530,LiCr2(PS4)3,-5.5725350226,-0.7340725932000001,0.0161804387,0.0161804387,GGA,P2_1/c,A2BC3D12_mP72_14_2e_e_3e_12e:Cr-Li-P-S,72.0,"Invalid WP multiplicities - A2BC3D12_mP72_14_5e_e_9e_45e:Cr-Li-P-S, expected LiCr5(PS5)9 to be LiCr2(PS4)3" +mp-1176770,LiCrP2S7,-5.41864066,-0.7510293493,0.039970857,0.039970857,GGA,C2,ABC2D7_mC22_5_a_b_c_a3c:Cr-Li-P-S,11.0,"Invalid WP multiplicities - ABC2D7_mC22_5_a_b_c_a6c:Cr-Li-P-S, expected LiCrP2S13 to be LiCrP2S7" +mp-778433,Li3Cr2(PS4)3,-5.4534431117,-0.9079346386,0.0,-0.0040052335,GGA,P2_1/c,A2B3C3D12_mP80_14_2e_3e_3e_12e:Cr-Li-P-S,80.0,"Invalid WP multiplicities - A2B3C3D12_mP80_14_5e_9e_9e_45e:Cr-Li-P-S, expected Li9Cr5(PS5)9 to be Li3Cr2(PS4)3" +mp-10223,Na2PdS2,-4.254667744,-1.0351013179,0.0,-0.0544932038,GGA,Cmc2_1,A2BC2_oC20_36_2a_a_2a:Na-Pd-S,10.0,A2BC2_oC20_36_2a_a_2a:Na-Pd-S +mp-559446,NaPPdS4,-4.9196821336,-0.8537522653,0.0,-0.0250585307,GGA,I4/mcm,ABCD4_tI28_140_a_b_d_l:Na-P-Pd-S,14.0,ABCD4_tI28_140_a_b_d_l:Na-P-Pd-S +mp-1195819,Mn2TeSO8,-7.2236648419,-1.7922235057,0.0873081988,0.0873081988,GGA+U,Pbcm,A2B8CD_oP48_57_e_c3d2e_d_d:Mn-O-S-Te,48.0,A2B8CD_oP48_57_e_c3d2e_d_d:Mn-O-S-Te +mp-1212618,GaSe2NO8,-5.4275862792,-0.6000926464,0.6621671336,0.6621671336,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Ga-N-O-Se,12.0,ABC8D2_hP12_150_a_b_dg_d:Ga-N-O-Se +mp-1102308,BaSn(PO4)2,-7.525255985,-2.8312008601,0.0,-0.0365709704,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Ba-O-P-Sn,12.0,AB8C2D_mC24_12_a_2ij_i_d:Ba-O-P-Sn +mp-1222900,LaZrNO2,-9.406498526,-3.0637825095,0.0526916495,0.0526916495,GGA,Pnma,ABC2D_oP20_62_c_c_d_a:La-N-O-Zr,20.0,ABC2D_oP20_62_c_c_d_a:La-N-O-Zr +mp-1217013,TiNi5(BO5)2,-7.5655039842,-2.0309569802,0.0344974131,0.0344974131,GGA+U,Pmc2_1,A2B5C10D_oP36_26_2a_2a3b_6a4b_a:B-Ni-O-Ti,36.0,"Invalid WP multiplicities - A2B5C10D_oP36_26_3a_2a4b_9a6b_a:B-Ni-O-Ti, expected TiNi6(BO5)3 to be TiNi5(BO5)2" +mp-30051,Si3CCl7,-4.8538908902,-1.3589475991,0.0638062282,0.0638062282,GGA,C2/c,AB7C3_mC88_15_f_7f_3f:C-Cl-Si,44.0,"Invalid WP multiplicities - AB7C3_mC88_15_f_11f_8f:C-Cl-Si, expected Si8CCl11 to be Si3CCl7" +mp-28813,Si3CCl8,-4.7764236321,-1.4186808935,0.0669713017,0.0669713017,GGA,P-1,AB8C3_aP24_2_i_8i_3i:C-Cl-Si,24.0,"Invalid WP multiplicities - AB8C3_aP24_2_i_11i_6i:C-Cl-Si, expected Si6CCl11 to be Si3CCl8" +mp-1203441,Si8C3Cl20,-4.8599863835,-1.3742033539,0.0700980028,0.0700980028,GGA,C2/c,A3B20C8_mC248_15_3f_20f_8f:C-Cl-Si,124.0,A3B20C8_mC248_15_3f_20f_8f:C-Cl-Si +mp-1209042,SiCCl3,-5.224021858,-1.1841031575,0.1427950083,0.1427950083,GGA,C2/m,AB3C_mC60_12_3i_i4j_ij:C-Cl-Si,30.0,AB3C_mC60_12_3i_i4j_ij:C-Cl-Si +mp-554491,SiC(ClF)3,-5.0319823469,-1.7902285462,0.3113377156,0.3113377156,GGA,C2/m,AB3C3D_mC32_12_i_ij_ij_i:C-Cl-F-Si,16.0,"Invalid WP multiplicities - AB3C3D_mC32_12_i_2i2j_2i3j_i:C-Cl-F-Si, expected SiC(Cl3F4)2 to be SiC(ClF)3" +mp-1217012,V2GePb5O12,-7.023920553,-1.988203559,0.0,-0.0020993065,GGA+U,Pm,AB12C5D2_mP40_6_2a_6a6b6c_3a3b2c_a3b:Ge-O-Pb-V,40.0,"Invalid WP multiplicities - AB12C5D2_mP40_6_2a_6a6b12c_3a3b3c_a3b:Ge-O-Pb-V, expected V2Ge(PbO3)6 to be V2GePb5O12" +mp-1112916,Cs2YAuI6,-3.436120195,-1.3989845993,0.0777877505,0.0777877505,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Y,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-I-Y +mp-1275528,VZn2SbO6,-6.5027698543,-1.9615171745,0.0966845817,0.0966845817,GGA+U,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sb-V-Zn,40.0,A6BCD2_mP20_11_2e2f_a_c_2e:O-Sb-V-Zn +mp-1112710,Cs2KScI6,-3.482100328,-1.6747132384,0.0,-0.0246787415,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Sc +mp-1225910,Gd(VFe5)2,-9.0437828485,-0.0480792731,0.0452242811,0.0452242811,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Gd-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Gd-V +mp-1224690,GdV2Fe10N,-9.1284776593,-0.1798604161,0.1447250914,0.1447250914,GGA,Immm,A10BCD2_oI28_71_efgk_c_a_h:Fe-Gd-N-V,14.0,A10BCD2_oI28_71_efgk_c_a_h:Fe-Gd-N-V +mp-1399593,CaSbF5,-5.5591019271,-3.3173882189,0.0287935329,0.0287935329,GGA,P1,AB5C_aP14_1_2a_10a_2a:Ca-F-Sb,14.0,AB5C_aP14_1_2a_10a_2a:Ca-F-Sb +mp-1774919,CaSbF5,-5.5060724186000005,-3.2643587104,0.0818230414,0.0818230414,GGA,Cc,AB5C_mC28_9_a_5a_a:Ca-F-Sb,14.0,"Invalid WP multiplicities - AB5C_mC28_9_a_8a_a:Ca-F-Sb, expected CaSbF8 to be CaSbF5" +mp-1394463,CaSbF5,-5.5044330679,-3.2627193596,0.0834623921,0.0834623921,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Sb,14.0,"Invalid WP multiplicities - AB5C_mC28_9_a_8a_a:Ca-F-Sb, expected CaSbF8 to be CaSbF5" +mp-1445082,CaSbF6,-5.3882084687,-3.1877741031,0.059040792,0.059040792,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Sb,8.0,AB6C_hR24_148_a_f_b:Ca-F-Sb +mp-780667,CaSb2H2F14,-5.0596184664,-2.7538416246,0.0,-0.0671660609,GGA,P2_1/c,AB14C2D2_mP76_14_e_14e_2e_ace:Ca-F-H-Sb,76.0,"Invalid WP multiplicities - AB14C2D2_mP76_14_e_55e_7e_2a2c3e:Ca-F-H-Sb, expected CaSb5H7F55 to be CaSb2H2F14" +mp-1206937,K2MgAs2,-2.294708616,0.3331543348,0.924029591,0.924029591,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:As-K-Mg,5.0,A2B2C_tP5_123_g_g_a:As-K-Mg +mp-1019089,KMgAs,-3.1390354483,-0.6824363143000001,0.0,-0.1915651522,GGA,P4/nmm,ABC_tP6_129_c_c_a:As-K-Mg,6.0,ABC_tP6_129_c_c_a:As-K-Mg +mp-1195089,KMgAs3F18,-4.9542599904,-2.732753224,0.0,-0.0307836109,GGA,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Mg,92.0,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Mg +mp-1079195,SrMnPF,-6.4597531925,-1.9156806376,0.1259897894,0.1259897894,GGA+U,P4/nmm,ABCD_tP8_129_a_b_c_c:F-Mn-P-Sr,8.0,ABCD_tP8_129_a_b_c_c:F-Mn-P-Sr +mp-5589,Sr(MnP)2,-6.796447774,-0.6284219638,0.098715649,0.098715649,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mn-P-Sr,5.0,A2B2C_hP5_164_d_d_a:Mn-P-Sr +mp-1147757,CuPb2(OF)2,-5.3358749643,-1.7300412261,0.1166697257,0.1166697257,GGA,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Cu-F-O-Pb,7.0,AB2C2D2_tI14_139_a_d_c_e:Cu-F-O-Pb +mp-1147765,CuPb2(OF)2,-5.19160786,-1.5857741218,0.26093683,0.26093683,GGA,I4/mmm,AB2C2D2_tI14_139_a_c_d_e:Cu-F-O-Pb,7.0,AB2C2D2_tI14_139_a_c_d_e:Cu-F-O-Pb +mp-1213055,CuPbF6,-4.5033896175,-2.0932986744,0.0,-0.0390259675,GGA,P-1,AB6C_aP8_2_b_3i_d:Cu-F-Pb,8.0,AB6C_aP8_2_b_3i_d:Cu-F-Pb +mp-972600,UCd(PbO3)2,-7.2791510415,-2.3471784238,0.0157315867,0.0157315867,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Cd-O-Pb-U,20.0,AB6C2D_mP20_14_a_3e_e_b:Cd-O-Pb-U +mp-1201047,Dy4BClO7,-8.4708939713,-3.7338249891,0.0,-0.0142912735,GGA,P2_1/c,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Dy-O,52.0,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Dy-O +mp-1227428,Ce2VFeO6,-8.975850533,-3.0658267473,0.0738033521,0.0738033521,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ce-Fe-O-V,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_b:Ce-Fe-O-V, expected Ce2VFeO10 to be Ce2VFeO6" +mp-567486,BaSr2(PN2)6,-7.6344071039,-1.0717539617,0.0,-0.0089073228,GGA,Pa-3,AB12C6D2_cP84_205_a_2d_d_c:Ba-N-P-Sr,84.0,"Invalid WP multiplicities - AB12C6D2_cP84_205_a_26d_d_c:Ba-N-P-Sr, expected BaSr2(PN26)6 to be BaSr2(PN2)6" +mp-2983,Ba(PN2)2,-7.6241284656,-1.0396199437,0.0,-0.4040243914,GGA,Pa-3,AB4C2_cP84_205_ac_2d_d:Ba-N-P,84.0,"Invalid WP multiplicities - AB4C2_cP84_205_ac_5d_d:Ba-N-P, expected Ba(PN5)2 to be Ba(PN2)2" +mp-1013533,Ba3PN,-4.538411764,-0.6370673137,0.1394114273,0.1394114273,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-N-P,5.0,A3BC_cP5_221_c_b_a:Ba-N-P +mp-1013707,Ba3PN,-3.644830316,0.2565141343,1.0329928753,1.0329928753,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-N-P,5.0,A3BC_cP5_221_c_a_b:Ba-N-P +mp-645364,Sr(PN2)2,-7.6261854389,-1.0744599865,0.0,-0.4392411669,GGA,P6_3,A4B2C_hP168_173_16c_8c_a2b3c:N-P-Sr,168.0,"Invalid WP multiplicities - A4B2C_hP168_173_89c_44c_2a4b12c:N-P-Sr, expected Sr14P44N89 to be Sr(PN2)2" +mp-1013536,Sr3PN,-3.60179251,0.1618630483,1.0256546814,1.0256546814,GGA,Pm-3m,ABC3_cP5_221_a_b_c:N-P-Sr,5.0,ABC3_cP5_221_a_b_c:N-P-Sr +mp-1013554,Sr3PN,-4.611290364,-0.8476348057,0.0161568274,0.0161568274,GGA,Pm-3m,ABC3_cP5_221_b_a_c:N-P-Sr,5.0,ABC3_cP5_221_b_a_c:N-P-Sr +mp-1091394,Ba2NaIO6,-5.847122505,-2.2157251259,0.0,-0.0632706436,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-I-Na-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-I-Na-O +mp-1405645,YFeF5,-7.0081808486,-3.5090541113,0.1321414932,0.1321414932,GGA+U,Immm,A5BC_oI14_71_ceg_b_a:F-Fe-Y,7.0,A5BC_oI14_71_ceg_b_a:F-Fe-Y +mp-1041792,YFe3F15,-5.6386311797,-2.4518564821,0.1804942794,0.1804942794,GGA+U,P2_1/m,A15B3C_mP38_11_3e6f_af_e:F-Fe-Y,38.0,"Invalid WP multiplicities - A15B3C_mP38_11_6e24f_2a2f_e:F-Fe-Y, expected YFe6F54 to be YFe3F15" +mp-1049241,Ba2YFe2F11,-6.6097197883,-3.5927990348,0.061949036,0.061949036,GGA+U,P3_2,A2B11C2D_hP48_145_2a_11a_2a_a:Ba-F-Fe-Y,48.0,"Invalid WP multiplicities - A2B11C2D_hP48_145_5a_31a_5a_a:Ba-F-Fe-Y, expected Ba5YFe5F31 to be Ba2YFe2F11" +mp-1182012,CaPBrO8,-5.6891065382,-1.275884683,0.3843757972,0.3843757972,GGA,C2/c,ABC8D_mC44_15_c_e_4f_e:Br-Ca-O-P,22.0,ABC8D_mC44_15_a_e_4f_e:Br-Ca-O-P +mp-1192222,CaPBrO8,-5.6546897818,-1.2414679267,0.4187925535,0.4187925535,GGA,C2/c,ABC8D_mC44_15_c_e_4f_e:Br-Ca-O-P,22.0,ABC8D_mC44_15_a_e_4f_e:Br-Ca-O-P +mp-1233077,CaP4(Br3O)4,-4.3831851414,-1.4269039647,0.1079580508,0.1079580508,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P +mp-1233585,CaP4(Br3O)4,-4.3950473505,-1.4387661737,0.0960958417,0.0960958417,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P +mp-1233691,CaP4(Br3O)4,-4.3423319319,-1.3860507552,0.1488112603,0.1488112603,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P +mp-1234060,CaP4(Br3O)4,-4.3900504824,-1.4337693056,0.1010927098,0.1010927098,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P +mp-1233033,CaP4(Br3O)4,-4.4019610886,-1.4456799118,0.0891821036,0.0891821036,GGA,Pm,A12BC4D4_mP21_6_2a2b4c_a_2a2b_2a2b:Br-Ca-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Ca-O-P +mp-559234,CsLa(PO3)4,-7.7659357381,-2.9412199581,0.0,-0.0211234585,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cs-La-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_8a:Cs-La-O-P, expected CsLaP8O23 to be CsLa(PO3)4" +mp-1233506,MgHg8(NO4)4,-4.8307119324,-0.8126870341,0.0697890734,0.0697890734,GGA,P1,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O +mp-1233552,MgHg8(NO4)4,-4.8296059179,-0.8115810197000001,0.0708950878,0.0708950878,GGA,P1,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O +mp-1233743,MgHg8(NO4)4,-4.8237727128,-0.8057478145,0.076728293,0.076728293,GGA,P1,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:Hg-Mg-N-O +mp-1180534,Mg(Hg11N3)2,-1.3847252969,0.6256270352000001,0.6770937502000001,0.6770937502000001,GGA,I4/m,A22BC6_tI58_87_d2e2i_a_eh:Hg-Mg-N,29.0,A22BC6_tI58_87_d2e2i_a_eh:Hg-Mg-N +mp-1193322,Mg(Hg11N3)2,-1.4642587321,0.5460936,0.5975603150000001,0.5975603150000001,GGA,I4/m,A22BC6_tI58_87_d2e2i_a_eh:Hg-Mg-N,29.0,A22BC6_tI58_87_d2e2i_a_eh:Hg-Mg-N +mp-1198640,MgHg6(N3O13)2,-5.0723048626,-0.4042218297,0.4160931575,0.4160931575,GGA,P-3,A6BC6D26_hP39_147_g_a_g_d4g:Hg-Mg-N-O,39.0,A6BC6D26_hP39_147_g_a_g_d4g:Hg-Mg-N-O +mp-1080842,Ba2UPbO6,-7.893974117,-3.0417601943,0.0281789372,0.0281789372,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pb-U,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pb-U +mp-987508,CsEr6CI12,-1.228664362,1.5318744842,3.0401931455,3.0275605075,GGA,P-1,ABC6D12_aP20_2_b_d_3i_6i:C-Cs-Er-I,20.0,"Invalid WP multiplicities - ABC6D12_aP20_2_b_d_6i_12i:C-Cs-Er-I, expected CsEr12CI24 to be CsEr6CI12" +mp-23118,CsEr6CI12,-4.2688575075,-1.5083186613,0.0,-0.012632638,GGA,R-3,ABC6D12_hR60_148_a_b_f_2f:C-Cs-Er-I,20.0,ABC6D12_hR60_148_a_b_f_2f:C-Cs-Er-I +mp-1196026,CsEr10(C2I9)2,-4.7939223455,-1.4603512321,0.0,-0.0929214819,GGA,P-1,A4BC10D18_aP33_2_2i_a_5i_9i:C-Cs-Er-I,33.0,A4BC10D18_aP33_2_2i_a_5i_9i:C-Cs-Er-I +mp-1213933,CeAg(WO4)2,-8.5297172258,-2.3417659501,0.1017717588,0.1017717588,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Ce-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Ce-O-W +mp-1212775,EuTl(WO4)2,-8.82329351,-2.3141755853,0.0,-0.0211124288,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Eu-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Eu-O-Tl-W +mp-1205609,PrPOs2C,-8.812775554,-0.4372538312,0.1668554665,0.1668554665,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-P-Pr,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-P-Pr +mp-1188990,Pr(P3Os)4,-7.3352405824,-0.5911226085,0.0,-0.0160175974,GGA,Im-3,A4B12C_cI34_204_c_g_a:Os-P-Pr,17.0,A4B12C_cI34_204_c_g_a:Os-P-Pr +mp-1223535,KCd4Ga5S12,-4.1727975209,-1.0100776799,0.0054217994,0.0054217994,GGA,P1,A4B5CD12_aP22_1_4a_5a_a_12a:Cd-Ga-K-S,22.0,A4B5CD12_aP22_1_4a_5a_a_12a:Cd-Ga-K-S +mp-560255,NbPCl8O,-4.8983559964,-1.6938478566,0.0,-0.0214772883,GGA,Pnma,A8BCD_oP44_62_4c2d_c_c_c:Cl-Nb-O-P,44.0,"Invalid WP multiplicities - A8BCD_oP44_62_15c13d_c_c_c:Cl-Nb-O-P, expected NbPCl41O to be NbPCl8O" +mp-1198112,NbP(Cl3O)2,-5.5347306465,-1.8848101536,0.0255007316,0.0255007316,GGA,P2_1/c,A6BC2D_mP160_14_24e_4e_8e_4e:Cl-Nb-O-P,160.0,A6BC2D_mP160_14_24e_4e_8e_4e:Cl-Nb-O-P +mp-866661,K3Dy(AsS4)2,-4.7838401979,-1.1875673817,0.0,-0.0067064985,GGA,C2/c,A2BC3D8_mC56_15_f_e_a2e_4f:As-Dy-K-S,28.0,A2BC3D8_mC56_15_f_e_c2e_4f:As-Dy-K-S +mp-2275524,DyAsS,-6.1803223933,-1.7128706894,0.0,-0.0569981822,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Dy-S,6.0,ABC_tP6_129_a_c_c:As-Dy-S +mp-15785,KDyS2,-5.6298021125,-2.1322807323,0.0,-0.1924455463,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-K-S,4.0,ABC2_hR12_166_a_b_c:Dy-K-S +mp-1223493,KBa2Nb3O9,-8.416191074,-3.0980269175,0.0,-0.0188322887,GGA,P-3m1,A2BC3D9_hP15_164_d_a_bd_ei:Ba-K-Nb-O,15.0,"Invalid WP multiplicities - A2BC3D9_hP15_164_d_a_bd_3e4i:Ba-K-Nb-O, expected KBa2Nb3O33 to be KBa2Nb3O9" +mp-1224039,K4BaNb5O15,-8.1814390608,-2.9387419969,0.0,-0.0093742734,GGA,C2/m,AB4C5D15_mC50_12_a_2i_c2i_bf2i2j:Ba-K-Nb-O,25.0,"Invalid WP multiplicities - AB4C5D15_mC50_12_b_3i_c3i_a2e4i6j:Ba-K-Nb-O, expected K6BaNb7O37 to be K4BaNb5O15" +mp-559019,Nd6S4BrN3,-7.2158541291,-2.0931971886,0.0,-0.0511743009,GGA,Pnma,AB3C6D4_oP56_62_c_3c_6c_4c:Br-N-Nd-S,56.0,"Invalid WP multiplicities - AB3C6D4_oP56_62_c_9c_23c_15c:Br-N-Nd-S, expected Nd23S15BrN9 to be Nd6S4BrN3" +mp-1203202,Ru3C9Se2O9,-8.0418838717,-0.9813091583,0.154270376,0.154270376,GGA,P-1,A9B9C3D2_aP46_2_9i_9i_3i_2i:C-O-Ru-Se,46.0,A9B9C3D2_aP46_2_9i_9i_3i_2i:C-O-Ru-Se +mp-629476,RuC3SeO3,-7.8976109472,-0.9855638686,0.1489224812,0.1489224812,GGA,I-43m,A3B3CD_cI64_217_g_g_c_c:C-O-Ru-Se,32.0,A3B3CD_cI64_217_g_g_c_c:C-O-Ru-Se +mp-7719,NaTm(SO4)2,-7.0107750062,-2.5403774945,0.0013368186,0.0013368186,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Na-O-S-Tm,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Na-O-S-Tm +mp-9076,NaTmS2,-5.61880643,-2.1009913174,0.0,-0.1529500442,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Tm,4.0,AB2C_hR12_166_a_c_b:Na-S-Tm +mp-696138,Li10Ge(PS6)2,-4.5674780162,-1.2004276187,0.0187325328,0.0187325328,GGA,P1,AB10C2D12_aP50_1_2a_20a_4a_24a:Ge-Li-P-S,50.0,AB10C2D12_aP50_1_2a_20a_4a_24a:Ge-Li-P-S +mp-696128,Li10Ge(PS6)2,-4.5563714202,-1.1893210227,0.0298391288,0.0298391288,GGA,P4_2mc,AB10C2D12_tP50_105_a_ab2f_bc_3d3e:Ge-Li-P-S,50.0,AB10C2D12_tP50_105_a_ab2f_bc_3d3e:Ge-Li-P-S +mp-1104636,Er(AlC)3,-6.5261177079,-0.3131973111,0.0,-0.0731236731,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Er,14.0,A3B3C_hP14_194_cf_df_a:Al-C-Er +mp-10038,Er3AlC,-3.890210928,1.4452686225,1.87665023,1.8016823245,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-C-Er,5.0,ABC3_cP5_221_b_a_c:Al-C-Er +mp-568021,Er3AlC,-5.766861158,-0.4313816075,0.0,-0.0749679055,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Er,5.0,ABC3_cP5_221_a_b_c:Al-C-Er +mp-582657,Ti4Te9I4O,-5.05431053,-1.1258730179,0.0,-0.1287436384,GGA,C2/c,A4BC9D4_mC72_15_2f_e_e4f_2f:I-O-Te-Ti,36.0,"Invalid WP multiplicities - A4BC9D4_mC72_15_2f_e_2e14f_7f:I-O-Te-Ti, expected Ti14Te30I4O to be Ti4Te9I4O" +mp-1214969,Ba2HoV3O11,-8.304999369,-3.0058433229,0.0195508188,0.0195508188,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Ho-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Ho-O-V +mp-1111618,K2NaScI6,-3.423517041,-1.5519180018,0.0319659995,0.0319659995,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Sc,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Na-Sc +mp-561312,KHfCuF7,-6.1256854525,-3.2709707106,0.0,-0.0152342986,GGA,Cmcm,AB7CD_oC80_63_f_ac3fgh_f_g:Cu-F-Hf-K,40.0,"Invalid WP multiplicities - AB7CD_oC80_63_f_2a2c12f3g4h_f_g:Cu-F-Hf-K, expected KHfCuF25 to be KHfCuF7" +mp-13797,K2NaCuF6,-4.495773594,-2.5846332278,0.0,-0.128185135,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Na +mp-1228339,Ba2NF,-5.2641863925,-1.7427054494,0.1756320273,0.1756320273,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:Ba-F-N,4.0,A2BC_tP4_123_ad_b_c:Ba-F-N +mp-676643,Ba2NF,-5.3862953012,-1.8648143581,0.0535231185,0.0535231185,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:Ba-F-N,8.0,A2BC_tI16_141_e_a_b:Ba-F-N +mp-1018096,Ba2NF,-5.4294871625,-1.9080062194,0.0103312573,0.0103312573,GGA,R-3m,A2BC_hR12_166_c_a_b:Ba-F-N,4.0,A2BC_hR12_166_c_a_b:Ba-F-N +mp-1228340,Ba2NF,-5.1282294475,-1.6067485044,0.3115889723,0.3115889723,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-F-N,4.0,A2BC_cF16_225_c_a_b:Ba-F-N +mp-996942,Ba6In2NF,-3.66057496,-0.9340558608,0.0264048993,0.0264048993,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Ba-F-In-N,10.0,A6BC2D_cF40_225_e_a_c_b:Ba-F-In-N +mp-1113764,KRb2IrF6,-4.878220109,-2.5403426013,0.0090337363,0.0090337363,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Ir-K-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Ir-K-Rb +mp-1111440,K2RbIrF6,-4.825391842,-2.4745278468,0.0800153765,0.0800153765,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Rb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Rb +mp-1111102,K2TlCoF6,-4.797871404,-2.4818081399,0.0774757413,0.0774757413,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Tl +mp-1111944,K2InAuF6,-4.384832521,-2.4133087781,0.1925889532,0.1925889532,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-In-K +mp-1213376,CsEuPO4,-8.1141309236,-2.9209221345,0.0557266817,0.0557266817,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cs-Eu-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Cs-Eu-O-P +mp-1019736,CsEu(PO3)4,-7.9133885251,-2.7930619288000003,0.0208189858,0.0208189858,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cs-Eu-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Cs-Eu-O-P +mp-1223169,La3YHf4O14,-9.5444636577,-3.6191504529,0.4126889177,0.4126889177,GGA,R-3m,A4B3C14D_hR66_166_ad_e_c2h_b:Hf-La-O-Y,22.0,"Invalid WP multiplicities - A4B3C14D_hR66_166_ad_e_c9h_b:Hf-La-O-Y, expected La3YHf4O56 to be La3YHf4O14" +mp-1025348,TlPPd5,-5.2293724757,-0.4186075181,0.0,-0.0509553558,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pd-Tl,7.0,AB5C_tP7_123_b_ai_c:P-Pd-Tl +mp-1194963,Tl2P4Pd3O14,-6.8323689776,-1.9988131642,0.0,-0.0297512863,GGA,Imma,A14B4C3D2_oI92_74_h3j_j_ace_i:O-P-Pd-Tl,46.0,A14B4C3D2_oI92_74_h3j_j_ace_i:O-P-Pd-Tl +mp-5478,TlPd3O4,-5.6560878456,-0.9449574179,0.0,-0.098733672,GGA,Fm-3m,A4B3C_cF64_225_f_d_ab:O-Pd-Tl,16.0,A4B3C_cF64_225_f_d_ab:O-Pd-Tl +mp-1225475,ErSc(BO3)2,-8.887252146,-3.4933417736,0.0095164925,0.0095164925,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Er-O-Sc,10.0,A2BC6D_hR30_148_c_a_f_b:B-Er-O-Sc +mp-17375,K2Na3TlO4,-4.297757031,-1.4639798544,0.0,-0.0069425334,GGA,Pnnm,A2B3C4D_oP40_58_eg_gh_2gh_g:K-Na-O-Tl,40.0,"Invalid WP multiplicities - A2B3C4D_oP40_58_eg_g2h_2gh_g:K-Na-O-Tl, expected K2Na5TlO4 to be K2Na3TlO4" +mp-560950,K2NaTlO3,-4.4047259211,-1.4410069971,0.0,-0.0115070343,GGA,P2_1/c,A2BC3D_mP28_14_2e_e_3e_e:K-Na-O-Tl,28.0,"Invalid WP multiplicities - A2BC3D_mP28_14_6e_e_6e_e:K-Na-O-Tl, expected K6NaTlO6 to be K2NaTlO3" +mp-21372,CePRuO,-8.6210134312,-2.229142703,0.0,-0.0933882526,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:Ce-O-P-Ru,8.0,ABCD_tP8_129_c_a_c_b:Ce-O-P-Ru +mp-1213899,Ce2P2RuO,-6.4431983383,-0.2908859092,1.6954143242000002,1.6954143242000002,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Ce-O-P-Ru,6.0,A2BC2D_tP6_123_g_a_g_b:Ce-O-P-Ru +mp-1195356,GeBiNO7,-6.234804587,-1.0921212981,0.2120852498,0.2120852498,GGA,Pbca,ABCD7_oP80_61_c_c_c_7c:Bi-Ge-N-O,80.0,ABCD7_oP80_61_c_c_c_7c:Bi-Ge-N-O +mp-1246899,Ge3Bi5N9,-6.0514339462,0.307388615,0.4094161165,0.4094161165,GGA,Cmce,A5B3C9_oC136_64_d2fg_e2f_3f3g:Bi-Ge-N,68.0,A5B3C9_oC136_64_d2fg_e2f_3f3g:Bi-Ge-N +mp-1245416,Ge6Bi3N11,-6.5248950395000005,0.0231588953,0.1966056478,0.1966056478,GGA,P4bm,A3B6C11_tP40_100_ac_cd_bc2d:Bi-Ge-N,40.0,A3B6C11_tP40_100_ac_cd_bc2d:Bi-Ge-N +mp-1022099,Mg6CuW,-3.01842778,0.31394937,0.3584802887,0.3584802887,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-W, expected Mg12CuW to be Mg6CuW" +mp-1022098,Mg6CuW,-3.0293219762,0.3030551738,0.3475860925,0.3475860925,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-W, expected Mg12CuW to be Mg6CuW" +mp-1026899,Mg14CuW,-2.3035680275,0.1627605725,0.1850260319,0.1850260319,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-W, expected Mg18CuW to be Mg14CuW" +mp-1026878,Mg14CuW,-2.3126346094,0.1536939906,0.17595945,0.17595945,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-W, expected Mg26CuW to be Mg14CuW" +mp-2227731,MgCu2WS4,-5.5561805475,-0.6433526616,0.3232263816,0.3232263816,GGA,Cm,A2BC4D_mC16_8_b_a_2ab_a:Cu-Mg-S-W,8.0,A2BC4D_mC16_8_b_a_2ab_a:Cu-Mg-S-W +mp-2227380,MgCu2WS4,-5.5295273437,-0.6166994578,0.3498795854,0.3498795854,GGA,P222,A2BC4D_oP8_16_ae_d_u_b:Cu-Mg-S-W,8.0,A2BC4D_oP8_16_ae_d_u_b:Cu-Mg-S-W +mp-2227567,MgCu2WS4,-5.551356275,-0.6385283891,0.3280506541,0.3280506541,GGA,Fmm2,A2BC4D_oF32_42_b_a_cd_a:Cu-Mg-S-W,8.0,A2BC4D_oF32_42_b_a_cd_a:Cu-Mg-S-W +mp-2226140,MgCu2WS4,-5.5189768675,-0.6061489816,0.3604300616,0.3604300616,GGA,I-4,A2BC4D_tI16_82_e_a_g_c:Cu-Mg-S-W,8.0,A2BC4D_tI16_82_e_a_g_c:Cu-Mg-S-W +mp-2227108,MgCu2WS4,-5.5211755438,-0.6083476578,0.3582313854,0.3582313854,GGA,P-42m,A2BC4D_tP8_111_e_a_n_d:Cu-Mg-S-W,8.0,A2BC4D_tP8_111_e_a_n_d:Cu-Mg-S-W +mp-2226887,MgCu2WS4,-5.4669807675,-0.5541528816,0.4124261616,0.4124261616,GGA,P-42m,A2BC4D_tP8_111_e_b_n_a:Cu-Mg-S-W,8.0,A2BC4D_tP8_111_e_b_n_a:Cu-Mg-S-W +mp-2227170,MgCu2WS4,-5.5227212475,-0.6098933616000001,0.3566856816,0.3566856816,GGA,I-42m,A2BC4D_tI16_121_c_a_i_b:Cu-Mg-S-W,8.0,A2BC4D_tI16_121_c_a_i_b:Cu-Mg-S-W +mp-8989,Na2P2PdO7,-6.7823683129,-2.3425051138,0.0,-0.0093064579,GGA,C2/c,A2B7C2D_mC48_15_f_e3f_f_a:Na-O-P-Pd,24.0,A2B7C2D_mC48_15_f_e3f_f_c:Na-O-P-Pd +mp-1195486,Na2P4Pd3O14,-6.8823539038,-2.1392431211,0.0003498638,0.0003498638,GGA,P4/mnc,A2B14C4D3_tP92_128_g_h3i_i_eh:Na-O-P-Pd,92.0,A2B14C4D3_tP92_128_g_h3i_i_eh:Na-O-P-Pd +mp-1233955,Th4Mg(B2O5)4,-8.7879288842,-3.2235464163,0.1522087154,0.1522087154,GGA,C2,A8BC20D4_mC66_5_4c_a_10c_2c:B-Mg-O-Th,33.0,"Invalid WP multiplicities - A8BC20D4_mC66_5_5c_a_11c_2c:B-Mg-O-Th, expected Th4Mg(B5O11)2 to be Th4Mg(B2O5)4" +mp-1187416,ThBO3,-8.176784634,-2.3901214031,1.1899932452,1.1899932452,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Th,5.0,AB3C_cP5_221_b_c_a:B-O-Th +mp-28641,ThB2O5,-9.1034087972,-3.4151481287,0.0,-0.0266144353,GGA,C2/c,A2B5C_mC64_15_2f_5f_f:B-O-Th,32.0,"Invalid WP multiplicities - A2B5C_mC64_15_3f_5f_f:B-O-Th, expected ThB3O5 to be ThB2O5" +mp-1194365,Th(BO2)4,-8.8319660777,-3.1623556913,0.0157430365,0.0157430365,GGA,C2/c,A4B8C_mC52_15_2f_4f_e:B-O-Th,26.0,A4B8C_mC52_15_2f_4f_e:B-O-Th +mp-1105735,MnAsNO5,-6.8622749019,-1.0008908796,0.5243939213000001,0.5243939213000001,GGA+U,Pmn2_1,ABCD5_oP16_31_a_a_a_3ab:As-Mn-N-O,16.0,ABCD5_oP16_31_a_a_a_3ab:As-Mn-N-O +mp-985591,Li6PS5Br,-4.3209747946,-1.3131196122,0.0505081017,0.0505081017,GGA,F-43m,AB6CD5_cF52_216_a_g_b_ce:Br-Li-P-S,13.0,AB6CD5_cF52_216_a_g_b_ce:Br-Li-P-S +mp-510646,TlPPbS4,-4.7324866257,-0.7275734556,0.0,-0.0125205442,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:P-Pb-S-Tl,28.0,ABC4D_oP28_62_c_c_2cd_c:P-Pb-S-Tl +mp-1100394,MgScB,-4.9729595467,-0.1022459047,0.3369056183,0.3369056183,GGA,F-43m,ABC_cF12_216_c_a_b:B-Mg-Sc,3.0,ABC_cF12_216_c_a_b:B-Mg-Sc +mp-1221965,MgScBO4,-8.2648358032,-3.350707836,0.0101476808,0.0101476808,GGA,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Mg-O-Sc,28.0,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Mg-O-Sc +mp-19924,USeS,-7.9278670558,-1.619943271,0.0,-0.0414040437,GGA,Pnma,ABC_oP12_62_c_c_c:S-Se-U,12.0,ABC_oP12_62_c_c_c:S-Se-U +mp-1217006,USeS,-7.89408392,-1.5861601352,0.0337831358,-0.0076209078,GGA,Pnma,ABC_oP12_62_c_c_c:S-Se-U,12.0,ABC_oP12_62_c_c_c:S-Se-U +mp-1217083,U2CoSe2S3,-7.4681130225,-1.3315742261,0.0685598171,0.0685598171,GGA,C2/c,AB3C2D2_mC32_15_c_ef_f_f:Co-S-Se-U,16.0,AB3C2D2_mC32_15_a_ef_f_f:Co-S-Se-U +mp-1192708,U8CoS17,-8.1276654462,-1.6753867688,0.0,-0.0456608148,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Co-S-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Co-S-U +mp-1105902,UCoS3,-7.423551773,-1.2617362919,0.0789393538,0.0789393538,GGA,Pnma,AB3C_oP20_62_a_cd_c:Co-S-U,20.0,AB3C_oP20_62_a_cd_c:Co-S-U +mp-1216534,U2SeS,-8.9409311525,-1.3871358114,0.036693865,0.036693865,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:S-Se-U,4.0,ABC2_tP4_123_a_d_bc:S-Se-U +mp-1188815,U2CoS5,-7.7150428581,-1.4183694645,0.0777077741,0.0777077741,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Co-S-U,16.0,AB5C2_mC32_15_a_e2f_f:Co-S-U +mp-554343,K2CuSbS3,-4.2279430525,-0.962463709,0.00183485,0.00183485,GGA,P2_1/c,AB2C3D_mP28_14_e_2e_3e_e:Cu-K-S-Sb,28.0,"Invalid WP multiplicities - AB2C3D_mP28_14_e_4e_10e_e:Cu-K-S-Sb, expected K4CuSbS10 to be K2CuSbS3" +mp-1192531,KCu2SbS3,-4.3924026832,-0.6999508078000001,0.0019102998,0.0019102998,GGA,P-1,A2BC3D_aP28_2_4i_2i_6i_2i:Cu-K-S-Sb,28.0,A2BC3D_aP28_2_4i_2i_6i_2i:Cu-K-S-Sb +mp-1215347,Zr6Co2O,-8.30174387,-0.4740185276,0.3639635946,0.3639635946,GGA+U,Cm,A2BC6_mC18_8_2a_a_6a:Co-O-Zr,9.0,A2BC6_mC18_8_2a_a_6a:Co-O-Zr +mp-618324,ZrCo3B2,-7.7734958817,-0.5682562889,0.0,-0.0697460488,GGA,R-3m,A2B3C_hR54_166_f_dh_ac:B-Co-Zr,18.0,A2B3C_hR54_166_f_dh_ac:B-Co-Zr +mp-10059,ZrCo3B2,-7.7618681083,-0.5566285156,0.0116277733,-0.0581182754,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Co-Zr,6.0,A2B3C_hP6_191_c_g_a:B-Co-Zr +mp-1215312,ZrCo3(BO4)2,-8.1320162839,-2.2173771949,0.395938075,0.395938075,GGA+U,Pmc2_1,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Co-O-Zr,28.0,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Co-O-Zr +mp-541854,Zr2(Co7B2)3,-7.3960733821,-0.2772311207,0.0133683995,0.0133683995,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Zr,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Zr +mp-756665,ZrCoO3,-8.8233933775,-2.7241764657000003,0.078509807,0.078509807,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Zr,20.0,AB3C_oP20_62_a_cd_c:Co-O-Zr +mp-761293,ZrCoO3,-8.8048382725,-2.7056213607,0.097064912,0.097064912,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Zr,20.0,AB3C_hR30_148_c_f_c:Co-O-Zr +mp-1215381,Zr9Co3O2,-8.4958383682,-0.7710071913000001,0.2381032613,0.2381032613,GGA+U,C2/m,A3B2C9_mC56_12_3i_aci_9i:Co-O-Zr,28.0,"Invalid WP multiplicities - A3B2C9_mC56_12_5i_ad2i_15i:Co-O-Zr, expected Zr15Co5O3 to be Zr9Co3O2" +mp-756574,Li3Al2VO6,-7.152305765,-2.8204758819,0.0666759333,0.0666759333,GGA+U,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:Al-Li-O-V,48.0,A2B3C6D_aP24_2_2i_3i_6i_i:Al-Li-O-V +mp-755151,Li3Al2VO6,-7.1915271479,-2.8596972648000003,0.0274545504,0.0274545504,GGA+U,C2/m,A2B3C6D_mC24_12_g_ch_ij_b:Al-Li-O-V,48.0,A2B3C6D_mC24_12_g_ch_ij_b:Al-Li-O-V +mp-770362,Li3Al2VO6,-7.1284200502,-2.7965901671,0.0905616481,0.0905616481,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:Al-Li-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_11e_21e_e:Al-Li-O-V, expected Li11Al7VO21 to be Li3Al2VO6" +mp-769572,LiAlVO4,-7.6855157786,-2.7533501198,0.0890428063,0.0890428063,GGA+U,P1,ABC4D_aP21_1_3a_3a_12a_3a:Al-Li-O-V,42.0,"Invalid WP multiplicities - ABC4D_aP21_1_3a_3a_12a_4a:Al-Li-O-V, expected Li3Al3V4O12 to be LiAlVO4" +mp-1299391,LiAlVO4,-7.738367507099999,-2.8062018483,0.0361910777,0.0361910777,GGA+U,C2/m,ABC4D_mC28_12_e_i_2ij_ac:Al-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_e_i_3ij_ac:Al-Li-O-V, expected LiAlVO5 to be LiAlVO4" +mp-756369,LiAlVO4,-7.7246588961,-2.7924932373,0.0498996888,0.0498996888,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:Al-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_13c_c:Al-Li-O-V, expected LiAlVO13 to be LiAlVO4" +mp-753631,LiAlVO4,-7.7419905418,-2.809824883,0.0325680431,0.0325680431,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Al-Li-O-V,28.0,ABC4D_oI28_74_a_e_hi_c:Al-Li-O-V +mp-770414,LiAlVO4,-7.734411625,-2.8022459662,0.0401469599,0.0401469599,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Al-Li-O-V,28.0,ABC4D_tP28_95_c_a_2d_b:Al-Li-O-V +mp-770509,LiAlVO4,-7.7086404379,-2.776474779,0.065918147,0.065918147,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Al-Li-O-V,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_4b_5b_23b_5b:Al-Li-O-V, expected Li5Al4V5O23 to be LiAlVO4" +mp-770365,LiAlVO4,-7.7046371836,-2.7724715248000003,0.0699214013,0.0699214013,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:Al-Li-O-V,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Al-Li-O-V, expected LiAlVO17 to be LiAlVO4" +mp-754647,LiAlVO4,-7.691114158099999,-2.7589484993,0.0834444268,0.0834444268,GGA+U,P6_222,ABC4D_hP21_180_c_a_k_d:Al-Li-O-V,21.0,ABC4D_hP21_180_c_a_k_d:Al-Li-O-V +mp-755460,Li2AlVO4,-7.318629046,-2.7643687363,0.0245994224,0.0245994224,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Al-Li-O-V,48.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_3i_6i_2c2i:Al-Li-O-V, expected Li2AlV2O4 to be Li2AlVO4" +mp-754923,Li2AlVO4,-7.2611503569,-2.7068900471,0.0820781116,0.0820781116,GGA+U,Pc,AB2C4D_mP16_7_a_2a_4a_a:Al-Li-O-V,16.0,AB2C4D_mP16_7_a_2a_4a_a:Al-Li-O-V +mp-770360,Li2AlVO4,-7.2539290025,-2.6996686927,0.0892994659,0.0892994659,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Al-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_5e_13e_e:Al-Li-O-V, expected Li5AlVO13 to be Li2AlVO4" +mp-755694,Li2AlVO4,-7.1902732425,-2.6360129327,0.1529552259,0.1529552259,GGA+U,C222_1,AB2C4D_oC32_20_a_ab_2c_b:Al-Li-O-V,32.0,AB2C4D_oC32_20_a_ab_2c_b:Al-Li-O-V +mp-755737,Li2AlVO4,-7.2541393494,-2.6998790396,0.0890891191,0.0890891191,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Al-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_oP16_31_a_b_4a2b_a:Al-Li-O-V, expected Li2AlVO8 to be Li2AlVO4" +mp-770519,Li2AlVO4,-7.2526847872,-2.6984244774,0.0905436812,0.0905436812,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Al-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Al-Li-O-V, expected Li5AlVO13 to be Li2AlVO4" +mp-770522,Li2AlVO4,-7.2509359763,-2.6966756665,0.0922924922,0.0922924922,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Al-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Al-Li-O-V, expected Li5AlVO13 to be Li2AlVO4" +mp-1235533,LiAl2V4O8,-8.1424887893,-2.4552082229,0.2245159614,0.2245159614,GGA+U,P1,A2BC8D4_aP15_1_2a_a_8a_4a:Al-Li-O-V,15.0,A2BC8D4_aP15_1_2a_a_8a_4a:Al-Li-O-V +mp-1235052,LiAl2V4O8,-8.1807977087,-2.4935171422,0.1862070421,0.1862070421,GGA+U,C2/m,A2BC8D4_mC30_12_e_b_2ij_acf:Al-Li-O-V,15.0,"Invalid WP multiplicities - A2BC8D4_mC30_12_f_b_4i4j_ac2e:Al-Li-O-V, expected LiAl2V6O24 to be LiAl2V4O8" +mp-1236221,LiAl2V4O8,-7.769530852,-2.0822502856,0.5974738987,0.5974738987,GGA+U,Imm2,A2BC8D4_oI30_44_c_a_2c2d_cd:Al-Li-O-V,15.0,"Invalid WP multiplicities - A2BC8D4_oI30_44_c_a_4c4d_2c2d:Al-Li-O-V, expected LiAl2V8O16 to be LiAl2V4O8" +mp-1189430,Tl4CO5,-5.4243226995,-1.083054536,0.2178470553,0.2178470553,GGA,Cmc2_1,AB5C4_oC40_36_a_a2b_2ab:C-O-Tl,20.0,AB5C4_oC40_36_a_a2b_2ab:C-O-Tl +mp-1238269,Tl4CO5,-5.435755807,-1.0944876435,0.2064139478,0.2064139478,GGA,Cmc2_1,AB5C4_oC40_36_a_a2b_2ab:C-O-Tl,20.0,AB5C4_oC40_36_a_a2b_2ab:C-O-Tl +mp-1208465,Tl5(C2O3)2,-6.0683822037,-0.8411815389,0.3559899471,0.3559899471,GGA,Cmce,A4B6C5_oC120_64_2fg_2f2g_f2g:C-O-Tl,60.0,A4B6C5_oC120_64_2fg_2f2g_f2g:C-O-Tl +mp-607841,Tl(CO)2,-7.0286284558,-0.8859581449,0.2774720594,0.2774720594,GGA,P2_12_12_1,A2B2C_oP40_19_4a_4a_2a:C-O-Tl,40.0,"Invalid WP multiplicities - A2B2C_oP40_19_14a_15a_5a:C-O-Tl, expected Tl5C14O15 to be Tl(CO)2" +mp-543045,Tl2CO3,-6.2954673442,-1.4964643576,0.0,-0.201091145,GGA,C2/m,AB3C2_mC24_12_i_ij_2i:C-O-Tl,12.0,AB3C2_mC24_12_i_ij_2i:C-O-Tl +mp-555790,Tl2C3O4,-6.9277537394,-1.1279717821,0.1647284449,0.1647284449,GGA,C2,A3B4C2_mC36_5_2a2c_4c_2c:C-O-Tl,18.0,"Invalid WP multiplicities - A3B4C2_mC36_5_2a3c_8c_2c:C-O-Tl, expected Tl(CO2)2 to be Tl2C3O4" +mp-1179261,Tl(C2O5)2,-7.0637194397,-1.1474399577,0.4529572329,0.4529572329,GGA,P-1,A4B10C_aP30_2_4i_10i_i:C-O-Tl,30.0,A4B10C_aP30_2_4i_10i_i:C-O-Tl +mp-1218552,Sr4Tl2CO9,-6.4609061131,-2.3838983631,0.0,-0.0074751698,GGA,Imm2,AB9C4D2_oI32_44_a_a3cd_2c_c:C-O-Sr-Tl,16.0,"Invalid WP multiplicities - AB9C4D2_oI32_44_a_a3cd_4c_c:C-O-Sr-Tl, expected Sr8Tl2CO9 to be Sr4Tl2CO9" +mp-556745,TlCO2,-6.7831072556,-1.4119357402,0.0423520152,0.0423520152,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-O-Tl,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_6e_e:C-O-Tl, expected TlCO6 to be TlCO2" +mp-1072051,TbB2Rh3,-7.3819894617,-0.7009772531,0.0022035105,0.0022035105,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Rh-Tb,6.0,A2B3C_hP6_191_c_g_a:B-Rh-Tb +mp-542103,TbRh3C,-7.684119586,-0.4929285455,0.0,-0.0508038235,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Tb,5.0,AB3C_cP5_221_b_c_a:C-Rh-Tb +mp-1178967,Tb(BRh)4,-7.3343739189,-0.5778000674,0.011373628,0.011373628,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Rh-Tb,18.0,A4B4C_tP18_137_g_g_a:B-Rh-Tb +mp-1191018,Tb8Rh5C12,-7.7677142092,-0.3820960468,0.0421800308,0.0421800308,GGA,C2/m,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Tb,25.0,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Tb +mp-1217714,Tb2(B2Rh3)3,-7.4380166335,-0.6366134774000001,0.0,-0.0247210318,GGA,P6/mmm,A6B9C2_hP17_191_ch_gi_e:B-Rh-Tb,17.0,A6B9C2_hP17_191_ch_gi_e:B-Rh-Tb +mp-3869,TbBRh3,-7.467043082,-0.7857067858,0.0,-0.130209334,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Tb,5.0,AB3C_cP5_221_b_c_a:B-Rh-Tb +mp-12736,TbB2Rh2C,-7.5865395083,-0.5948010293,0.0082042537,0.0082042537,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Tb,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Tb +mp-1198513,Pr2Nb2S7O30,-7.3184113893,-2.2666984138,0.0,-0.0088592354,GGA,P-42_1m,A2B30C2D7_tP82_113_e_5e5f_e_cef:Nb-O-Pr-S,82.0,A2B30C2D7_tP82_113_e_5e5f_e_cef:Nb-O-Pr-S +mp-561232,NaSm(PS3)2,-5.386493247,-1.2178516827,0.0,-0.016846369,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Na-P-S-Sm,40.0,"Invalid WP multiplicities - AB2C6D_mP40_14_e_2e_20e_e:Na-P-S-Sm, expected NaSm(PS10)2 to be NaSm(PS3)2" +mp-1196730,Y2Al3Fe14,-7.6345368271,-0.1213806873,0.0317154332,0.0317154332,GGA,P6_3/mmc,A3B14C2_hP38_194_g_fjk_bc:Al-Fe-Y,38.0,A3B14C2_hP38_194_g_fjk_bc:Al-Fe-Y +mp-1216021,YAlFe,-6.5222210192,-0.2948649681,0.0093043315,0.0093043315,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Y,,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Y, expected Y3(AlFe)2 to be YAlFe" +mp-1216033,YAlFe,-6.5173453483,-0.2899892972,0.0141800024,0.0141800024,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Y,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Y, expected Y3(AlFe)2 to be YAlFe" +mp-1215937,YAlFe,-6.524223635,-0.2968675839,0.0073017157,0.0073017157,GGA,Imma,ABC_oI12_74_a_c_e:Al-Fe-Y,6.0,ABC_oI12_74_a_c_e:Al-Fe-Y +mp-1216193,Y(Al3Fe)3,-5.4341341646,-0.3890020713,0.0079806259,0.0079806259,GGA,C2/m,A9B3C_mC26_12_a2j_bf_c:Al-Fe-Y,13.0,A9B3C_mC26_12_b2j_ae_c:Al-Fe-Y +mp-1216110,Y2AlFe3,-7.1815032467,-0.1667396322,0.0171444068,0.0171444068,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Fe-Y,6.0,AB3C2_hR18_166_a_d_c:Al-Fe-Y +mp-16744,Y(Al5Fe)2,-5.038766535,-0.3570533171,0.0,-0.008679975,GGA,Cmcm,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Y,26.0,A10B2C_oC52_63_e2f2g_d_c:Al-Fe-Y +mp-1216148,Y(AlFe)6,-6.5239831754,-0.3885944559,0.0,-0.0391352962,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Y,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Y +mp-1191008,Y3AlFeS7,-6.8934896946,-1.8459764072,0.0504399694,0.0504399694,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Y,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Fe-S-Y +mp-4656,Y(Al2Fe)4,-5.8411109031,-0.4325599344,0.0,-0.0387132377,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Y,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Y +mp-1216185,Y3(AlFe2)2,-6.9612541811,-0.2089597544,0.0150193715,0.0150193715,GGA,P-1,A2B4C3_aP18_2_cdi_be3i_3i:Al-Fe-Y,18.0,"Invalid WP multiplicities - A2B4C3_aP18_2_cdi_be4i_5i:Al-Fe-Y, expected Y5Al2Fe5 to be Y3(AlFe2)2" +mp-1216123,Y2Al3Fe,-5.8490171517,-0.4090686639,0.0105458879,0.0105458879,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Fe-Y,6.0,A3BC2_hR18_166_d_a_c:Al-Fe-Y +mp-1207708,Y(AlFe2)4,-7.0922835746,-0.2300571044,0.0355522308,0.0355522308,GGA,I4/mmm,A4B8C_tI26_139_i_fj_a:Al-Fe-Y,13.0,A4B8C_tI26_139_i_fj_a:Al-Fe-Y +mp-1215964,YAl7Fe5,-6.1706611662,-0.3986913221,0.0118858731,0.0118858731,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Y,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Fe-Y +mp-1147717,YAl3Fe2,-5.8567364483,-0.0828629444,0.3333468703,0.3333468703,GGA,Amm2,A3B2C_oC12_38_ad_e_a:Al-Fe-Y,6.0,A3B2C_oC12_38_ad_e_a:Al-Fe-Y +mp-1194722,KLiTmF5,-5.9578301725,-3.8262611632,0.0022220042,0.0022220042,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Tm,32.0,A5BCD_mP32_14_5e_e_e_e:F-K-Li-Tm +mp-1211645,K3TmF6,-5.5580247645,-3.6304341576,0.0,-0.0107339553,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-K-Tm,20.0,A6B3C_mP20_14_3e_ae_b:F-K-Tm +mp-1205867,K3TmF6,-5.458269619,-3.5306790121,0.0997551455,0.0890211902,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-K-Tm,10.0,A6B3C_tI20_139_ei_bd_a:F-K-Tm +mp-1205844,K3TmF6,-5.496253823,-3.5686632161,0.0617709415,0.0510369862,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Tm,10.0,A6B3C_cF40_225_e_ac_b:F-K-Tm +mp-1202753,KTmF4,-6.2546877306,-4.0493293572,0.0,-0.0118968744,GGA,P3_2,A4BC_hP108_145_24a_6a_6a:F-K-Tm,108.0,A4BC_hP108_145_24a_6a_6a:F-K-Tm +mp-1211506,KTm2F7,-6.5791046278,-4.2348623711,0.0,-0.1561703884,GGA,C2/m,A7BC2_mC80_12_g5i4j_2i_hij:F-K-Tm,40.0,"Invalid WP multiplicities - A7BC2_mC80_12_g10i7j_3i_hij:F-K-Tm, expected K3Tm4F25 to be KTm2F7" +mp-1211536,K2TmF5,-5.8223986416,-3.7906451222,0.0,-0.0031252648,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Tm,32.0,A5B2C_oP32_62_3cd_d_c:F-K-Tm +mp-1111109,K2LiNbF6,-5.604230059,-3.0342400984,0.094936823,0.094936823,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Nb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Nb +mp-1112279,K2AgPdF6,-4.330109303,-2.1598983518,0.008841078,0.008841078,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Pd,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Pd +mp-1112193,K2YHgCl6,-4.044089437,-2.0358725038,0.1645531388,0.1645531388,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Cl-Hg-K-Y +mp-654335,CsK5Ru2O9,-5.7494314012,-1.6602313666,0.0,-0.0207576911,GGA,Pnma,AB5C9D2_oP68_62_c_c2d_5c2d_2c:Cs-K-O-Ru,68.0,"Invalid WP multiplicities - AB5C9D2_oP68_62_c_3c11d_17c13d_5c:Cs-K-O-Ru, expected CsK25Ru5O43 to be CsK5Ru2O9" +mp-1183971,CsRuO3,-6.273033112,-1.2710589028,0.378263059,0.378263059,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-O-Ru,5.0,AB3C_cP5_221_a_c_b:Cs-O-Ru +mp-17546,Cs2RuO4,-6.1385216379,-1.7310984766000002,0.0,-0.4025100943,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-O-Ru,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-O-Ru +mp-4057,CsBF4,-5.8548273004,-3.3180422983,0.0,-0.2956270581,GGA,Pnma,ABC4_oP24_62_c_c_2cd:B-Cs-F,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_2c2d:B-Cs-F, expected CsBF6 to be CsBF4" +mp-1203209,Cs3B12AsF18,-5.8522273942,-2.2667965652,0.2571918767,0.2571918767,GGA,Ia-3,AB12C3D18_cI272_206_a_2e_d_3e:As-B-Cs-F,136.0,AB12C3D18_cI272_206_a_2e_d_3e:As-B-Cs-F +mp-1203404,Ag2Mo(I2O7)2,-5.3329984176,-0.9683379665,0.0098071272,0.0098071272,GGA+U,C2/c,A2B4CD14_mC84_15_f_2f_e_7f:Ag-I-Mo-O,42.0,A2B4CD14_mC84_15_f_2f_e_7f:Ag-I-Mo-O +mp-1207120,Ba2LiIO6,-5.931048473,-2.2410113366,0.0,-0.0319533142,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-I-Li-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-I-Li-O +mp-14556,SmCd(BO2)5,-8.1004639876,-2.894268584,0.0048756197,0.0048756197,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Cd-O-Sm,68.0,"Invalid WP multiplicities - A5BC10D_mP68_14_6e_e_15e_e:B-Cd-O-Sm, expected SmCd(B2O5)3 to be SmCd(BO2)5" +mp-676820,Tm2Zr8O19,-9.6743374872,-3.7667388183,0.1036091887,0.1036091887,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Tm-Zr,29.0,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Tm-Zr, expected Tm2Zr14O35 to be Tm2Zr8O19" +mp-753905,Tm2Zr2O7,-9.3762038268,-3.8603953645,0.101396007,0.101396007,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Tm-Zr,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_c_d:O-Tm-Zr, expected TmZrO10 to be Tm2Zr2O7" +mp-771778,Tm2P4O13,-8.1632536,-3.1678939095,0.0160833853,0.0160833853,GGA,P2_1/c,A13B4C2_mP76_14_13e_4e_2e:O-P-Tm,76.0,"Invalid WP multiplicities - A13B4C2_mP76_14_51e_15e_3e:O-P-Tm, expected TmP5O17 to be Tm2P4O13" +mp-772744,Tm2P4O13,-8.1328446692,-3.1374849787,0.0464923161,0.0464923161,GGA,C2/c,A13B4C2_mC76_15_e6f_2f_f:O-P-Tm,38.0,"Invalid WP multiplicities - A13B4C2_mC76_15_2e23f_3f_f:O-P-Tm, expected Tm(PO8)3 to be Tm2P4O13" +mp-772232,Tm2P4O13,-8.1736544755,-3.178294785,0.0056825097,0.0056825097,GGA,C222_1,A13B4C2_oC76_20_a6c_2c_c:O-P-Tm,38.0,"Invalid WP multiplicities - A13B4C2_oC76_20_2a11c_3c_c:O-P-Tm, expected Tm(PO4)3 to be Tm2P4O13" +mp-1208250,Tm(PO)2,-6.577738216,-1.5385746442,0.9441716962,0.9441716962,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-P-Tm,20.0,A2B2C_tI40_141_h_h_c:O-P-Tm +mp-15382,TmP5O14,-7.8736422756,-2.8338427799,0.0,-0.0118268709,GGA,C2/c,A14B5C_mC160_15_14f_5f_2e:O-P-Tm,80.0,"Invalid WP multiplicities - A14B5C_mC160_15_17f_5f_2e:O-P-Tm, expected TmP5O17 to be TmP5O14" +mp-1208527,TmZr6(PO4)9,-8.6739090823,-3.2400137868,0.0109767009,0.0109767009,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Tm-Zr,104.0,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Tm-Zr +mp-5884,TmPO4,-8.4682540433,-3.5222719142,0.0,-0.153308813,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Tm,12.0,A4BC_tI24_141_h_a_b:O-P-Tm +mp-1200186,Tm(PO3)3,-8.0459906508,-3.0278413166,0.0,-0.0261885854,GGA,P2_1/c,A9B3C_mP156_14_27e_9e_ab2e:O-P-Tm,156.0,A9B3C_mP156_14_27e_9e_ab2e:O-P-Tm +mp-677391,Tm4Zr3O12,-9.3970102774,-3.9808677448,0.0041855353,-0.0195403458,GGA,P-1,A12B4C3_aP38_2_12i_4i_3i:O-Tm-Zr,38.0,"Invalid WP multiplicities - A12B4C3_aP38_2_24i_8i_5i:O-Tm-Zr, expected Tm8Zr5O24 to be Tm4Zr3O12" +mp-1216821,Tm4Zr3O12,-9.4011958126,-3.9850532801,0.0,-0.0237258811,GGA,P-1,A12B4C3_aP19_2_6i_2i_ai:O-Tm-Zr,19.0,"Invalid WP multiplicities - A12B4C3_aP19_2_12i_4i_ai:O-Tm-Zr, expected Tm8Zr3O24 to be Tm4Zr3O12" +mp-663471,K4Zr6CBr18,-2.4169936093,0.7868331148000001,2.7084205917,2.6165894975,GGA,P-1,A18BC4D6_aP29_2_9i_a_2i_3i:Br-C-K-Zr,29.0,"Invalid WP multiplicities - A18BC4D6_aP29_2_18i_a_3i_6i:Br-C-K-Zr, expected K6Zr12CBr36 to be K4Zr6CBr18" +mp-627575,K4Zr6CBr18,-5.125414201,-1.9215874769,0.0,-0.0918310942,GGA,P-1,A18BC4D6_aP29_2_9i_a_2i_3i:Br-C-K-Zr,29.0,"Invalid WP multiplicities - A18BC4D6_aP29_2_18i_a_3i_6i:Br-C-K-Zr, expected K6Zr12CBr36 to be K4Zr6CBr18" +mp-1208038,UHg(MoO4)4,-8.2229387884,-2.1263610523,0.0013807102,0.0013807102,GGA+U,P2/c,AB4C16D_mP44_13_e_2g_ef7g_f:Hg-Mo-O-U,44.0,AB4C16D_mP44_13_e_2g_ef7g_f:Hg-Mo-O-U +mp-1216627,UTaC2,-10.8849876525,-0.4833579962,0.0,-0.133789215,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ta-U,4.0,A2BC_hR12_166_c_a_b:C-Ta-U +mp-1224267,HfU(TaC2)2,-10.8350801113,-0.6002280775000001,0.0440233013,0.0440233013,GGA,R3m,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Ta-U,8.0,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Ta-U +mp-1224906,Ge2Pb5SO12,-6.4107287773,-1.8454285042,0.0055635189,0.0055635189,GGA,Pm,A2B12C5D_mP40_6_a3b_6a6b6c_3a3b2c_2a:Ge-O-Pb-S,40.0,"Invalid WP multiplicities - A2B12C5D_mP40_6_a3b_6a6b12c_3a3b3c_2a:Ge-O-Pb-S, expected Ge2Pb6SO18 to be Ge2Pb5SO12" +mp-1197913,GePb(S2O7)3,-6.4764435916,-1.7511043825,0.0,-0.0351594018,GGA,P-1,AB21CD6_aP58_2_i_21i_i_6i:Ge-O-Pb-S,58.0,AB21CD6_aP58_2_i_21i_i_6i:Ge-O-Pb-S +mp-1205604,KVCl3,-4.991496066,-1.8435130666,0.0,-0.00234286,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-K-V,10.0,A3BC_hP10_194_h_c_a:Cl-K-V +mp-1206608,K2VCl6,-4.4201608744,-1.9317248829,0.0,-0.0179708903,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-V,9.0,A6B2C_cF36_225_e_c_a:Cl-K-V +mp-1211867,KNb3VCl11,-5.5247533863000005,-1.7227456739,0.0522375579,0.0522375579,GGA,Pnma,A11BC3D_oP64_62_5c3d_c_cd_c:Cl-K-Nb-V,64.0,A11BC3D_oP64_62_5c3d_c_cd_c:Cl-K-Nb-V +mp-38222,NaCN,-6.5909480833,-0.2950528464,0.2047313621,0.2047313621,GGA,Imm2,ABC_oI6_44_a_a_b:C-N-Na,3.0,ABC_oI6_44_a_a_b:C-N-Na +mp-30053,NaCN,-6.5954269617,-0.2995317247,0.2002524837,0.2002524837,GGA,Pmmn,ABC_oP6_59_a_a_b:C-N-Na,6.0,ABC_oP6_59_a_a_b:C-N-Na +mp-1221105,NaCN,-2.75881051,3.537084727,4.0368689354,4.0368689354,GGA,P4/mmm,ABC_tP3_123_b_c_a:C-N-Na,3.0,ABC_tP3_123_b_c_a:C-N-Na +mp-1210106,NaC2,-5.2009135467,1.3923718795,1.3923718795,1.3923718795,GGA,Immm,A2B_oI6_71_f_a:C-Na,3.0,A2B_oI6_71_f_a:C-Na +mp-1102647,NaC2,-5.45254297,1.1407424561,1.1407424561,1.1407424561,GGA,P4_332,A2B_cP12_212_c_a:C-Na,12.0,A2B_cP12_212_c_a:C-Na +mp-571003,NaC64,-9.0931876392,0.0138449271,0.0138449271,0.0138449271,GGA,P6_3/mmc,A64B_hP130_194_4e4f8k_c:C-Na,130.0,"Invalid WP multiplicities - A64B_hP130_194_16e16f84k_c:C-Na, expected NaC568 to be NaC64" +mp-1210274,Na2C,-2.6841142767,1.2737910831,1.2737910831,1.2737910831,GGA,Fm-3m,AB2_cF12_225_a_c:C-Na,3.0,AB2_cF12_225_a_c:C-Na +mp-574822,NaC4N3,-7.90374224,0.0020917648,0.2549338269,0.2549338269,GGA,P-1,A4B3C_aP16_2_4i_3i_i:C-N-Na,16.0,"Invalid WP multiplicities - A4B3C_aP16_2_7i_4i_i:C-N-Na, expected NaC7N4 to be NaC4N3" +mp-571621,Ba3Na2(CN2)4,-7.4518534325,-0.8631124456,0.0016220804,0.0016220804,GGA,P2_1/c,A3B4C8D2_mP68_14_3e_ab3e_8e_2e:Ba-C-N-Na,68.0,"Invalid WP multiplicities - A3B4C8D2_mP68_14_10e_2a2d8e_29e_5e:Ba-C-N-Na, expected Ba10Na5C10N29 to be Ba3Na2(CN2)4" +mp-11180,NaC,-5.044007955,0.231587438,0.231587438,0.231587438,GGA,Immm,AB_oI8_71_e_g:C-Na,4.0,AB_oI8_71_e_g:C-Na +mp-1267,NaC,-5.0441311794,0.2314642136,0.2314642136,0.2314642136,GGA,I4_1/acd,AB_tI32_142_f_e:C-Na,16.0,AB_tI32_142_f_e:C-Na +mp-977200,Na3C,-2.2345478175,1.0645125257,1.0645125257,1.0645125257,GGA,Fm-3m,AB3_cF16_225_a_bc:C-Na,4.0,AB3_cF16_225_a_bc:C-Na +mp-541989,Na2CN2,-6.309082236,-0.5997410501,0.0,-0.1341303038,GGA,C2/m,AB2C2_mC10_12_a_i_i:C-N-Na,5.0,AB2C2_mC10_12_a_i_i:C-N-Na +mp-724972,Na5(CN2)3,-6.521553835,-0.4988686568,0.0505172969,0.0505172969,GGA,Im-3m,A3B6C5_cI28_229_b_e_ac:C-N-Na,14.0,A3B6C5_cI28_229_b_e_ac:C-N-Na +mp-628583,NaC2N3,-7.6991750812,-0.2342849057,0.1028378437,0.0156071985,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:C-N-Na,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_6e_10e_e:C-N-Na, expected Na(C3N5)2 to be NaC2N3" +mp-570248,NaC2N3,-7.802012925,-0.3371227494,0.0,-0.0872306452,GGA,P2_1/c,A2B3C_mP72_14_6e_9e_3e:C-N-Na,72.0,"Invalid WP multiplicities - A2B3C_mP72_14_22e_34e_10e:C-N-Na, expected Na5C11N17 to be NaC2N3" +mp-1180243,NaC2N3,-7.2893933229,0.1754968527,0.5126196021,0.4253889569,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:C-N-Na,24.0,A2B3C_mP24_14_2e_3e_e:C-N-Na +mp-1223262,La6Sb4(SO4)3,-7.5980275292,-2.8819610602,0.0,-0.0133112786,GGA,I-42d,A6B12C3D4_tI100_122_ce_3e_ad_e:La-O-S-Sb,50.0,"Invalid WP multiplicities - A6B12C3D4_tI100_122_ce_15e_ad_e:La-O-S-Sb, expected La6Sb4(SO20)3 to be La6Sb4(SO4)3" +mp-1211610,LiLa(C2O5)2,-7.4578978042,-1.6312428633,0.6560438583,0.6560438583,GGA,P2/c,A4BCD10_mP64_13_2e3g_g_g_10g:C-La-Li-O,64.0,A4BCD10_mP64_13_2e3g_g_g_10g:C-La-Li-O +mp-1188898,LiLa(CO3)2,-8.095691718,-2.5974523956,0.0,-0.0802466089,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-La-Li-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-La-Li-O +mp-561034,Ag9Ge2IO8,-4.6498020825,-0.8605052935,0.0084475548,0.0084475548,GGA,C2/m,A9B2CD8_mC40_12_ahij_i_b_2ij:Ag-Ge-I-O,20.0,"Invalid WP multiplicities - A9B2CD8_mC40_12_a2h2i2j_i_b_3i3j:Ag-Ge-I-O, expected Ag17Ge2IO18 to be Ag9Ge2IO8" +mp-1180100,NiH12(BrO7)2,-4.6637805141,-0.5654167956,0.3555293672,0.3547974996,GGA+U,P-1,A2B12CD14_aP29_2_i_6i_a_7i:Br-H-Ni-O,29.0,"Invalid WP multiplicities - A2B12CD14_aP29_2_i_12i_a_13i:Br-H-Ni-O, expected NiH24(BrO13)2 to be NiH12(BrO7)2" +mp-690647,NiH12(BrO7)2,-5.0193098814,-0.9209461628,0.0,-0.0007318676,GGA+U,P-3,A2B12CD14_hP29_147_d_2g_a_d2g:Br-H-Ni-O,58.0,A2B12CD14_hP29_147_d_2g_a_d2g:Br-H-Ni-O +mp-558859,VCdBiO5,-6.809486098,-1.9868950334,0.0,-0.0094015567,GGA+U,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Bi-Cd-O-V,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_3a_6a_36a_6a:Bi-Cd-O-V, expected V2Cd2BiO12 to be VCdBiO5" +mp-1207861,VCd2BiO6,-6.3129291805,-1.8678984818,0.0,-0.0053129131,GGA+U,Cmc2_1,AB2C6D_oC40_36_a_b_2a2b_a:Bi-Cd-O-V,20.0,AB2C6D_oC40_36_a_b_2a2b_a:Bi-Cd-O-V +mp-1189650,ErFe3(BO3)4,-8.3808816285,-2.5781009256000003,0.0172463553,0.0172463553,GGA+U,R32,A4BC3D12_hR60_155_ad_b_e_2df:B-Er-Fe-O,20.0,A4BC3D12_hR60_155_ad_b_e_2df:B-Er-Fe-O +mp-1041671,Sn(WO4)2,-8.3291685145,-2.0110465141,0.1579997784,0.1579997784,GGA+U,P-1,A8BC2_aP11_2_4i_a_i:O-Sn-W,11.0,"Invalid WP multiplicities - A8BC2_aP11_2_8i_a_i:O-Sn-W, expected Sn(WO8)2 to be Sn(WO4)2" +mp-1041577,Sn(WO4)2,-8.3861170314,-2.0679950309,0.1010512616,0.1010512616,GGA+U,P2/c,A8BC2_mP22_13_4g_e_g:O-Sn-W,22.0,A8BC2_mP22_13_4g_e_g:O-Sn-W +mp-1041835,AlSn(WO4)2,-8.2830329792,-2.1792898263,0.1989501821,0.1989501821,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sn-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sn-W +mp-1042285,AlSn(WO4)2,-8.389060645,-2.2853174921,0.0929225163,0.0929225163,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Sn-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Sn-W +mp-27357,Sn5W8O23,-8.4379584426,-1.8411045128,0.1410202113,0.1410202113,GGA+U,P6_3/m,A23B5C8_hP72_176_abh3i_fh_fi:O-Sn-W,72.0,"Invalid WP multiplicities - A23B5C8_hP72_176_abh4i_fh_fi:O-Sn-W, expected Sn5W8O29 to be Sn5W8O23" +mp-17700,SnWO4,-8.1468014304,-2.0210586087,0.0518638521,0.0518638521,GGA+U,Pnna,A4BC_oP24_52_2e_c_d:O-Sn-W,24.0,A4BC_oP24_52_2e_c_d:O-Sn-W +mp-17844,SnWO4,-8.0675031825,-1.9417603608,0.1311621,0.1311621,GGA+U,P2_13,A4BC_cP24_198_ab_a_a:O-Sn-W,24.0,"Invalid WP multiplicities - A4BC_cP24_198_a2b_a_a:O-Sn-W, expected SnWO7 to be SnWO4" +mp-557003,Sn5(W4O11)2,-8.433776569,-1.7897750615,0.1616597381,0.1616597381,GGA+U,P6_3/m,A22B5C8_hP70_176_ah3i_fh_fi:O-Sn-W,70.0,"Invalid WP multiplicities - A22B5C8_hP70_176_2a6h24i_3f3h_3f4i:O-Sn-W, expected Sn15(W15O82)2 to be Sn5(W4O11)2" +mp-556980,Sn3WO6,-7.3255249278,-1.8588271215,0.0386700592,0.0386700592,GGA+U,C2/c,A6B3C_mC80_15_6f_3f_f:O-Sn-W,40.0,"Invalid WP multiplicities - A6B3C_mC80_15_22f_8f_f:O-Sn-W, expected Sn8WO22 to be Sn3WO6" +mp-557633,Sn2WO5,-7.6455733444,-1.9317336573,0.0315480034,0.0315480034,GGA+U,P2_1/c,A5B2C_mP64_14_10e_4e_2e:O-Sn-W,64.0,"Invalid WP multiplicities - A5B2C_mP64_14_36e_13e_2e:O-Sn-W, expected Sn13(WO18)2 to be Sn2WO5" +mp-685528,Sn(WO3)18,-9.0650952301,-2.1558197999,0.0198819514,0.0198819514,GGA+U,Pmmn,A54BC18_oP146_59_6acd6e8g_b_6a3g:O-Sn-W,146.0,"Invalid WP multiplicities - A54BC18_oP146_59_12a4c4d24e60g_b_12a16g:O-Sn-W, expected Sn(W19O79)4 to be Sn(WO3)18" +mp-761454,Sn(WO3)3,-8.7694572596,-2.0460602638,0.0552734466,0.0552734466,GGA+U,P2_1/m,A9BC3_mP26_11_abc6e_e_3e:O-Sn-W,26.0,"Invalid WP multiplicities - A9BC3_mP26_11_abc12e_e_3e:O-Sn-W, expected Sn(WO5)3 to be Sn(WO3)3" +mp-757772,Sn(WO3)3,-8.7295532146,-2.0061562188,0.0951774916,0.0951774916,GGA+U,Cmcm,A9BC3_oC52_63_ad3g_c_cg:O-Sn-W,26.0,"Invalid WP multiplicities - A9BC3_oC52_63_a2d10g_c_c2g:O-Sn-W, expected Sn(WO5)5 to be Sn(WO3)3" +mp-18979,TbFe3(BO3)4,-8.3868349528,-2.5807218854,0.0132152865,0.0132152865,GGA+U,P3_121,A4B3C12D_hP60_152_2ac_bc_2a5c_b:B-Fe-O-Tb,60.0,A4B3C12D_hP60_152_2ac_bc_2a5c_b:B-Fe-O-Tb +mp-19136,TbFe3(BO3)4,-8.386457212,-2.5803441446,0.0135930274,0.0135930274,GGA+U,R32,A4B3C12D_hR60_155_ad_e_2df_b:B-Fe-O-Tb,20.0,"Invalid WP multiplicities - A4B3C12D_hR60_155_a2d_e_5d3f_b:B-Fe-O-Tb, expected TbFe3B7O33 to be TbFe3(BO3)4" +mp-17395,TmCu(BO2)5,-8.1999280897,-2.8211699685,0.0078530557,0.0078530557,GGA,Ibam,A5BC10D_oI68_72_bk_c_j2k_a:B-Cu-O-Tm,34.0,"Invalid WP multiplicities - A5BC10D_oI68_72_b2k_c_j3k_a:B-Cu-O-Tm, expected TmCuB9O14 to be TmCu(BO2)5" +mp-18576,Tm2Cu(B2O5)2,-8.285816465,-3.0366793054,0.0036533763,0.0036533763,GGA,P2_1/c,A4BC10D2_mP34_14_2e_a_5e_e:B-Cu-O-Tm,34.0,"Invalid WP multiplicities - A4BC10D2_mP34_14_2e_a_6e_e:B-Cu-O-Tm, expected Tm2Cu(BO3)4 to be Tm2Cu(B2O5)2" +mp-1043756,TiRe(PO4)3,-8.3066297206,-2.6630890584,0.0371033681,0.0371033681,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Re-Ti,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Re-Ti, expected TiRe(PO18)3 to be TiRe(PO4)3" +mp-647218,Re2P2O11,-8.315219172,-2.3066034915,0.0,-0.0098677137,GGA,Pnma,A11B2C2_oP60_62_7c2d_2c_2c:O-P-Re,60.0,"Invalid WP multiplicities - A11B2C2_oP60_62_28c12d_8c_5c:O-P-Re, expected Re5(P2O13)4 to be Re2P2O11" +mp-1203700,RePO6,-8.2137862144,-2.2715409695,0.0,-0.0635861915,GGA,C2/c,A6BC_mC192_15_18f_3f_3f:O-P-Re,96.0,A6BC_mC192_15_18f_3f_3f:O-P-Re +mp-867296,RePO5,-8.4099974514,-2.3255298446,0.0,-0.0627483811,GGA,C2/c,A5BC_mC56_15_2e4f_f_f:O-P-Re,28.0,A5BC_mC56_15_2e4f_f_f:O-P-Re +mp-1246633,MgVGaS4,-5.4894576086,-1.1668745214,0.1263764628,0.1263764628,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Ga-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Ga-Mg-S-V, expected MgVGaS12 to be MgVGaS4" +mp-1246698,Mg2VGa3S8,-4.9996948093,-1.1096695827,0.130299403,0.130299403,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Ga-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_ae_i_4i4j_c:Ga-Mg-S-V, expected Mg2V(GaS8)3 to be Mg2VGa3S8" +mp-1246477,Mg2V3GaS8,-5.9757214293,-1.2205804816,0.125952501,0.125952501,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Ga-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Ga-Mg-S-V, expected Mg2V3GaS16 to be Mg2V3GaS8" +mp-1192345,AgBi(WO4)2,-7.87391345,-1.8603455097,0.0140884177,0.0140884177,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Bi-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Bi-O-W +mp-1215004,AgBi2WO8,-6.6599831325,-1.4062186172,0.1491551259,0.1491551259,GGA+U,C2/m,AB2C8D_mC48_12_i_gi_2i3j_h:Ag-Bi-O-W,24.0,AB2C8D_mC48_12_i_gi_2i3j_h:Ag-Bi-O-W +mp-680498,RbTaPS6,-5.8739520642,-1.0883616853,0.0,-0.0191387369,GGA,P2_1/c,ABC6D_mP144_14_4e_4e_24e_4e:P-Rb-S-Ta,144.0,"Invalid WP multiplicities - ABC6D_mP144_14_11e_11e_94e_13e:P-Rb-S-Ta, expected Rb11Ta13P11S94 to be RbTaPS6" +mp-1191283,Bi3IrO2,-5.8228667858000005,-0.7806536204000001,0.1678689369,0.1678689369,GGA,Pnma,A3BC2_oP24_62_3c_c_2c:Bi-Ir-O,24.0,A3BC2_oP24_62_3c_c_2c:Bi-Ir-O +mp-1214246,Bi12IrO20,-6.1951226021,-1.5327566032000002,0.0989595266,0.0989595266,GGA,I23,A12BC20_cI66_197_f_a_2cf:Bi-Ir-O,33.0,A12BC20_cI66_197_f_a_2cf:Bi-Ir-O +mp-772189,Bi3Ir3O11,-6.8912549994,-1.4529993668,0.0,-0.01282917,GGA,Pn-3,A3B3C11_cP68_201_be_g_efh:Bi-Ir-O,68.0,"Invalid WP multiplicities - A3B3C11_cP68_201_2b2e_g_4e6f7h:Bi-Ir-O, expected Bi6Ir3O68 to be Bi3Ir3O11" +mp-558392,Bi2Ir2O7,-6.9319050623,-1.4787534624,0.0,-0.0285624183,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Bi-Ir-O,22.0,A2B2C7_cF88_227_c_d_af:Bi-Ir-O +mp-667545,Ir3(CO)8,-8.2795253579,-0.9154129279,0.2026990289,0.2026990289,GGA,P-1,A8B3C8_aP76_2_16i_6i_16i:C-Ir-O,76.0,"Invalid WP multiplicities - A8B3C8_mC152_15_32f_4e6f_28f:C-Ir-O, expected Ir2C8O7 to be Ir3(CO)8" +mp-1335998,Ir3(CO)8,-6.0431143525,1.3209980775,2.4391100343,2.4391100343,GGA,P-1,A8B3C8_aP76_2_16i_6i_16i:C-Ir-O,76.0,"Invalid WP multiplicities - A8B3C8_aP76_2_32i_11i_30i:C-Ir-O, expected Ir11(C16O15)2 to be Ir3(CO)8" +mp-667400,Ir3(CO)8,-8.2689474064,-0.9048349764,0.2132769805,0.2132769805,GGA,P2/c,A8B3C8_mP152_13_16g_2e2f4g_16g:C-Ir-O,152.0,"Invalid WP multiplicities - A8B3C8_mP152_13_60g_4e4f14g_60g:C-Ir-O, expected Ir3(CO)10 to be Ir3(CO)8" +mp-685339,Bi12Ir12O41,-6.9096654119,-1.4487220753,0.0221862681,0.0221862681,GGA,P3m1,A12B12C41_hP195_156_3a3b3c9d_3a3b3c9d_4a5b6c36d:Bi-Ir-O,195.0,"Invalid WP multiplicities - A12B12C41_hP195_156_3a3b3c23d_3a3b3c22d_4a5b6c107d:Bi-Ir-O, expected Bi26Ir25O112 to be Bi12Ir12O41" +mp-647708,BiIr3(CO)9,-8.0718678611,-0.893050611,0.2183887966,0.2183887966,GGA,P-1,AB9C3D9_aP44_2_i_9i_3i_9i:Bi-C-Ir-O,44.0,"Invalid WP multiplicities - AB9C3D9_aP44_2_i_18i_5i_15i:Bi-C-Ir-O, expected BiIr5(C6O5)3 to be BiIr3(CO)9" +mp-1036031,YMg14SnO16,-6.2927378887,-2.7918946685,0.2426185117,0.2426185117,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sn-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sn-Y, expected YMg18SnO20 to be YMg14SnO16" +mp-1035975,YMg14SnO16,-6.3036883628,-2.8028451426,0.2316680377,0.2316680377,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sn-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sn-Y, expected YMg30SnO32 to be YMg14SnO16" +mp-1032806,YMg6SnO8,-6.3263204144,-2.5981183545,0.4168677066,0.4168677066,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sn-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sn-Y, expected YMg6SnO12 to be YMg6SnO8" +mp-1032818,YMg6SnO8,-6.2976813275,-2.5694792676,0.4455067934,0.4455067934,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sn-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sn-Y, expected YMg6SnO12 to be YMg6SnO8" +mp-1037731,YMg30SnO32,-6.3144903458,-2.9273265453,0.1169501945,0.1169501945,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sn-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sn-Y, expected YMg110SnO72 to be YMg30SnO32" +mp-1037723,YMg30SnO32,-6.3091213475,-2.9219575471,0.1223191927,0.1223191927,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sn-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sn-Y, expected YMg90SnO80 to be YMg30SnO32" +mp-1022832,YMg6Sn,-2.6078752675,-0.098159859,0.1127092535,0.1127092535,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-Y, expected YMg12Sn to be YMg6Sn" +mp-1022844,YMg6Sn,-2.6259131538,-0.1161977452,0.0946713673,0.0946713673,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-Y, expected YMg12Sn to be YMg6Sn" +mp-1028066,YMg14Sn,-2.1164876094,-0.0614898801,0.0575392441,0.0575392441,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-Y, expected YMg18Sn to be YMg14Sn" +mp-1028028,YMg14Sn,-2.0850743869,-0.0300766576,0.0889524666,0.0889524666,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-Y, expected YMg26Sn to be YMg14Sn" +mp-1211330,La2FeP2O,-5.7227680833,-0.0368798926,1.9028596142,1.9028596142,GGA+U,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Fe-La-O-P,6.0,AB2CD2_tP6_123_a_g_b_g:Fe-La-O-P +mp-510668,LaFePO,-7.692979695,-1.7514748118,0.3740015439,0.3740015439,GGA+U,P4/nmm,ABCD_tP8_129_a_c_b_c:Fe-La-O-P,8.0,ABCD_tP8_129_a_c_b_c:Fe-La-O-P +mp-1254079,MnAl(WO4)2,-8.9197357567,-2.3866223173,0.063865295,0.063865295,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Al-Mn-O-W,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_14i_2i:Al-Mn-O-W, expected MnAl(WO7)2 to be MnAl(WO4)2" +mp-1576333,MnAl(WO4)2,-8.92321251,-2.3900990707,0.0603885417,0.0603885417,GGA+U,P2,ABC8D2_mP24_3_ad_bc_8e_2e:Al-Mn-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Mn-O-W +mp-1578402,MnAl(WO4)2,-8.9256368192,-2.3925233798,0.0579642325,0.0579642325,GGA+U,Pc,ABC8D2_mP24_7_a_a_8a_2a:Al-Mn-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mP24_7_a_a_12a_2a:Al-Mn-O-W, expected MnAl(WO6)2 to be MnAl(WO4)2" +mp-1047774,MnAl(WO4)2,-8.9218917567,-2.3887783173,0.061709295,0.061709295,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Mn-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Mn-O-W +mp-1041563,Mn(WO4)2,-8.7194952127,-1.9329692634,0.1538082841,0.1538082841,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Mn-O-W,22.0,AB8C2_mP22_13_e_4g_g:Mn-O-W +mp-19158,Mn3WO6,-9.1471708435,-2.1347400061,0.0,-0.0123473475,GGA+U,R-3,A3B6C_hR60_148_f_2f_ab:Mn-O-W,20.0,A3B6C_hR60_148_f_2f_ab:Mn-O-W +mp-864990,Mn2AlW,-8.9721288325,-0.2151946715,0.0,-0.0790517995,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-W,4.0,AB2C_cF16_225_a_c_b:Al-Mn-W +mp-19407,MnWO4,-9.2019010633,-2.2174176688,0.0,-0.0573110757,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Mn-O-W,12.0,AB4C_mP12_13_e_2g_f:Mn-O-W +mp-1176413,MnWO4,-9.134732495,-2.1502491005,0.0671685683,0.0098574926,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Mn-O-W,12.0,AB4C_tI12_119_a_ef_c:Mn-O-W +mp-1196075,Si10(H3C)19,-5.0955826197,-0.1771732101,0.0560869118,0.0560869118,GGA,P-1,A19B57C10_aP172_2_19i_57i_10i:C-H-Si,172.0,A19B57C10_aP172_2_19i_57i_10i:C-H-Si +mp-1202794,Si10(H3C)19,-5.0999722048,-0.1815627953,0.0516973266,0.0516973266,GGA,C2,A19B57C10_mC344_5_19c_57c_10c:C-H-Si,172.0,A19B57C10_mC344_5_19c_57c_10c:C-H-Si +mp-1196266,FeSi6(H27C10)2,-5.1892779734,-0.1423341997,0.106558349,0.106558349,GGA,C2/c,A20BC54D6_mC324_15_10f_c_27f_3f:C-Fe-H-Si,162.0,A20BC54D6_mC324_15_10f_c_27f_3f:C-Fe-H-Si +mp-1202323,Si4H36C13,-5.1831504136,-0.2055643543,0.0411764018,0.0411764018,GGA,P2_13,A13B36C4_cP212_198_a4b_12b_ab:C-H-Si,212.0,A13B36C4_cP212_198_a4b_12b_ab:C-H-Si +mp-978595,Si(H3C)2,-5.0945542972,-0.1791092656,0.0555149506,0.0555149506,GGA,P-1,A2B6C_aP72_2_8i_24i_4i:C-H-Si,72.0,A2B6C_aP72_2_8i_24i_4i:C-H-Si +mp-569770,Si(H3C)2,-5.0992158794,-0.1837708478,0.0508533684,0.0508533684,GGA,P-1,A2B6C_aP144_2_16i_48i_8i:C-H-Si,144.0,"Invalid WP multiplicities - A2B6C_aP144_2_31i_95i_16i:C-H-Si, expected Si16H95C31 to be Si(H3C)2" +mp-1198774,Si(H3C)2,-5.1013958533,-0.1859508216,0.0486733945,0.0486733945,GGA,P-1,A2B6C_aP234_2_26i_78i_13i:C-H-Si,234.0,A2B6C_aP234_2_26i_78i_13i:C-H-Si +mp-1201793,Si(H3C)2,-5.1028979404,-0.1874529088,0.0471713074,0.0471713074,GGA,P-1,A2B6C_aP180_2_20i_60i_10i:C-H-Si,180.0,A2B6C_aP180_2_20i_60i_10i:C-H-Si +mp-1196125,Si(H3C)2,-5.1005197349,-0.1850747033,0.0495495129,0.0495495129,GGA,C2,A2B6C_mC252_5_14c_42c_ab6c:C-H-Si,126.0,A2B6C_mC252_5_14c_42c_ab6c:C-H-Si +mp-1199394,Si(H3C)2,-5.0999097881,-0.1844647564,0.0501594598,0.0501594598,GGA,Cc,A2B6C_mC396_9_22a_66a_11a:C-H-Si,198.0,A2B6C_mC396_9_22a_66a_11a:C-H-Si +mp-1201857,Si(H3C)2,-5.1011985156,-0.185753484,0.0488707322,0.0488707322,GGA,P2_1/c,A2B6C_mP432_14_24e_72e_12e:C-H-Si,432.0,A2B6C_mP432_14_24e_72e_12e:C-H-Si +mp-1196617,Si11(H3C)21,-5.0998432728,-0.1817146991,0.0516746528,0.0516746528,GGA,P2_1/c,A21B63C11_mP380_14_21e_63e_11e:C-H-Si,380.0,A21B63C11_mP380_14_21e_63e_11e:C-H-Si +mp-1204470,Si(H3C)4,-5.1096091404,-0.2241566381,0.0242690026,0.0242690026,GGA,Pnma,A4B12C_oP68_62_2cd_2c5d_c:C-H-Si,68.0,A4B12C_oP68_62_2cd_2c5d_c:C-H-Si +mp-978526,Si(H3C)4,-5.0953346698,-0.2098821674,0.0385434732,0.0385434732,GGA,Pa-3,A4B12C_cP136_205_cd_4d_c:C-H-Si,136.0,A4B12C_cP136_205_cd_4d_c:C-H-Si +mp-1110776,K2RbPrI6,-3.304342727,-1.6220991449,0.1236165247,0.1236165247,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Pr-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Pr-Rb +mp-1205646,K2LiPdF6,-4.612594425,-2.5347467874,0.02037329,0.02037329,GGA,I4/mmm,A6B2CD_tI20_139_eh_d_a_b:F-K-Li-Pd,10.0,A6B2CD_tI20_139_eh_d_a_b:F-K-Li-Pd +mp-1111924,K2LiPdF6,-4.603924452,-2.5260768144,0.029043263,0.029043263,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Pd,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Pd +mp-13687,Cs2KAgF6,-4.123233789,-2.4029704391,0.0,-0.0445982227,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-F-K +mp-560956,Cs2KCrF6,-5.522335798,-3.1200233014,0.0,-0.0921231032,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Cs-F-K +mp-1111015,KNa2CrF6,-5.396575823,-2.9088387421,0.1879730782,0.1879730782,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Na +mp-554252,K2NaCrF6,-5.590894894,-3.1243704478,0.0,-0.0426908205,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Na +mp-1112261,K2MnAuF6,-5.04826709,-2.4357101909,0.169799854,0.169799854,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Mn,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Mn +mp-863763,K2Y4Cu4Se9,-5.5076981853,-1.5105027997,0.0,-0.0414666105,GGA,C2/m,A4B2C9D4_mC38_12_2i_i_a4i_2i:Cu-K-Se-Y,19.0,"Invalid WP multiplicities - A4B2C9D4_mC38_12_3i_i_a8i_3i:Cu-K-Se-Y, expected K2Y6Cu6Se17 to be K2Y4Cu4Se9" +mp-1208271,TmSe2NO11,-5.9038538607,-0.9560052522,0.3965762077,0.3965762077,GGA,P-1,AB11C2D_aP30_2_i_11i_2i_i:N-O-Se-Tm,30.0,AB11C2D_aP30_2_i_11i_2i_i:N-O-Se-Tm +mp-1112165,K2AlCuF6,-5.16975455,-3.0163091301,0.0766431985,0.0766431985,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Cu-F-K +mp-18124,KAlCuF6,-5.3066825222,-3.0373430498,0.0025246133,0.0025246133,GGA,Pnma,ABC6D_oP36_62_a_c_2c2d_c:Al-Cu-F-K,36.0,"Invalid WP multiplicities - ABC6D_oP36_62_a_c_2c3d_c:Al-Cu-F-K, expected KAlCuF8 to be KAlCuF6" +mp-1113931,Rb2YInF6,-5.560720917,-3.2959112377,0.0451837728,0.0451837728,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-Rb-Y +mp-558465,LaAg(PO3)4,-7.6627966676,-2.7304612415,0.0,-0.0093571881,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ag-La-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_12e:Ag-La-O-P, expected LaAg(P6O23)2 to be LaAg(PO3)4" +mp-1205916,La2CdP2O,-4.7824062983,-0.3543733492,1.4454344464,1.4454344464,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cd-La-O-P,6.0,AB2CD2_tP6_123_a_g_b_g:Cd-La-O-P +mp-6248,LiGd(PO3)4,-8.3096372678,-2.9208306195,0.0,-0.0068926334,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Gd-Li-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Gd-Li-O-P +mp-1204406,Nb4Mo6I22O,-4.8204984333,-0.4920175475,0.3551158788,0.3551158788,GGA+U,P-1,A22B6C4D_aP33_2_11i_3i_2i_a:I-Mo-Nb-O,33.0,A22B6C4D_aP33_2_11i_3i_2i_a:I-Mo-Nb-O +mp-625789,Sn3(HO2)2,-5.7317122831,-1.4427208942,0.0715228122,0.0715228122,GGA,Cc,A2B4C3_mC72_9_4a_8a_6a:H-O-Sn,36.0,"Invalid WP multiplicities - A2B4C3_mC72_9_8a_16a_11a:H-O-Sn, expected Sn11(HO2)8 to be Sn3(HO2)2" +mp-1179534,Sn3(HO2)2,-5.7905343819,-1.5015429931000002,0.0127007133,0.0127007133,GGA,Cc,A2B4C3_mC72_9_4a_8a_6a:H-O-Sn,36.0,"Invalid WP multiplicities - A2B4C3_mC72_9_8a_16a_11a:H-O-Sn, expected Sn11(HO2)8 to be Sn3(HO2)2" +mp-625541,Sn3(HO2)2,-5.7888285958,-1.4998372069,0.0144064994,0.0144064994,GGA,P-42_1c,A2B4C3_tP36_114_e_2e_ce:H-O-Sn,36.0,A2B4C3_tP36_114_e_2e_ce:H-O-Sn +mp-1193049,Cs2Sn(HO2)6,-5.2197076314,-1.1474696598,0.0,-0.0105110689,GGA,P-3,A2B6C12D_hP21_147_d_g_2g_a:Cs-H-O-Sn,21.0,A2B6C12D_hP21_147_d_g_2g_a:Cs-H-O-Sn +mp-1192455,TmWBrO4,-8.22382406,-2.6847170845,0.0498055461,0.0498055461,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-Tm-W,28.0,AB4CD_aP28_2_2i_8i_2i_2i:Br-O-Tm-W +mp-1195130,BaSn(HO)6,-5.7636943921,-1.7661918684,0.0,-0.0175395099,GGA,P2_1/c,AB6C6D_mP56_14_e_6e_6e_ad:Ba-H-O-Sn,56.0,AB6C6D_mP56_14_e_6e_6e_ad:Ba-H-O-Sn +mp-696946,BaSn2(HO2)2,-5.9639612522,-1.9072584094,0.0,-0.0328509043,GGA,P2_1,AB2C4D2_mP18_4_a_2a_4a_2a:Ba-H-O-Sn,18.0,AB2C4D2_mP18_4_a_2a_4a_2a:Ba-H-O-Sn +mp-1202080,BaSnH16O11,-5.4600056432,-1.5073939419,0.0083817983,0.0083817983,GGA,P2_1/c,AB16C11D_mP232_14_2e_32e_22e_2e:Ba-H-O-Sn,232.0,AB16C11D_mP232_14_2e_32e_22e_2e:Ba-H-O-Sn +mp-1212152,HoMg(BO2)5,-8.3423519943,-3.1043205303,0.0119165177,0.0119165177,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Ho-Mg-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Ho-Mg-O +mp-1246965,Y3Mg2MoS8,-6.5856566557,-1.8329979068,0.1122888986,0.1122888986,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mo-S-Y,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mo-S-Y, expected Y3Mg2MoS22 to be Y3Mg2MoS8" +mp-1022683,YMg6Mo,-3.1661096869,0.1981155035,0.2526366143,0.2526366143,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Y, expected YMg12Mo to be YMg6Mo" +mp-1022685,YMg6Mo,-3.1456484456,0.2185767448,0.2730978556,0.2730978556,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Y, expected YMg12Mo to be YMg6Mo" +mp-1247018,YMgMoS4,-6.5688315143,-1.5033742656,0.2107267621,0.2107267621,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mo-S-Y,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mo-S-Y, expected YMgMoS12 to be YMgMoS4" +mp-1247217,YMg2Mo3S8,-6.561458935,-1.1832031865,0.2997120636,0.2997120636,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-Y,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-Y, expected YMg2Mo3S16 to be YMg2Mo3S8" +mp-1104078,Y(Mo3S4)2,-8.1408963147,-1.1654316008,0.0115861907,0.0115861907,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-S-Y,15.0,A6B8C_hR45_148_f_cf_a:Mo-S-Y +mp-1028043,YMg14Mo,-2.3845427819,0.0977098383,0.1371355987,0.1371355987,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Y, expected YMg18Mo to be YMg14Mo" +mp-1028027,YMg14Mo,-2.3547368069,0.1275158133,0.1669415737,0.1669415737,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Y, expected YMg26Mo to be YMg14Mo" +mp-1206363,YZn2AsO2,-4.7049899883,-0.7819142949,1.2332196966,1.2332196966,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:As-O-Y-Zn,6.0,AB2CD2_tP6_123_a_g_b_g:As-O-Y-Zn +mp-546011,YZnAsO,-6.3137273938,-1.9807219339,0.0,-0.0061118705,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:As-O-Y-Zn,8.0,ABCD_tP8_129_c_a_c_b:As-O-Y-Zn +mp-1207760,Y2ZnAs2O,-5.2309556583,-0.488020432,1.3485914208,1.3485914208,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-O-Y-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:As-O-Y-Zn +mp-1105495,BaHf(BO3)2,-8.901972529,-3.4104645511,0.0,-0.0359102487,GGA,R3c,A2BCD6_hR60_161_2a_a_a_2b:B-Ba-Hf-O,20.0,A2BCD6_hR60_167_c_a_b_f:B-Ba-Hf-O +mp-1245489,MnPtN2,-7.9198007031,0.0567339124,0.3340102077,0.3340102077,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Pt,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Pt +mp-1222181,Mn12Pt4N,-8.6224022135,-0.2362132894,0.0,-0.0008228489,GGA,P2/m,A12BC4_mP17_10_mn2o_a_mn:Mn-N-Pt,17.0,"Invalid WP multiplicities - A12BC4_mP17_10_2m2n8o_a_m2n:Mn-N-Pt, expected Mn40Pt6N to be Mn12Pt4N" +mp-7070,Mn3PtN,-8.759913956,-0.3811791318,0.0,-0.0004206235,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Pt,5.0,A3BC_cP5_221_c_b_a:Mn-N-Pt +mp-1210881,MnPt(CN)6,-8.4627102657,0.1532976712,0.2325194699,0.2325194699,GGA,Fm-3m,A6BC6D_cF56_225_e_a_e_b:C-Mn-N-Pt,14.0,A6BC6D_cF56_225_e_a_e_b:C-Mn-N-Pt +mp-1222727,LaThCN,-8.3324668,-0.8537103569000001,0.0981802592,0.0981802592,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-La-N-Th,4.0,ABCD_hR12_160_a_a_a_a:C-La-N-Th +mp-1222707,LaThN2,-8.9398469525,-1.6841331513000002,0.0,-0.0572374287,GGA,R-3m,AB2C_hR12_166_a_c_b:La-N-Th,4.0,AB2C_hR12_166_a_c_b:La-N-Th +mp-18311,BaTeW2O9,-8.07580811,-2.2682127489,0.0113081652,0.0113081652,GGA+U,P2_1,AB9CD2_mP26_4_a_9a_a_2a:Ba-O-Te-W,26.0,"Invalid WP multiplicities - AB9CD2_mP26_4_a_9a_a_4a:Ba-O-Te-W, expected BaTeW4O9 to be BaTeW2O9" +mp-1038429,Mg30BSbO32,-6.2239382753,-2.8315815055,0.1731197594,0.1731197594,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-Sb, expected Mg110BSbO72 to be Mg30BSbO32" +mp-1038436,Mg30BSbO32,-6.2239272752,-2.8315705053,0.1731307595,0.1731307595,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-Sb, expected Mg90BSbO80 to be Mg30BSbO32" +mp-1033173,Mg6BSbO8,-5.9331444219,-2.1841704843,0.6725136768000001,0.6725136768000001,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-Sb, expected Mg6BSbO12 to be Mg6BSbO8" +mp-1033199,Mg6BSbO8,-5.9525027481,-2.2035288106,0.6531553505000001,0.6531553505000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-Sb, expected Mg6BSbO12 to be Mg6BSbO8" +mp-1026462,Mg14BSb,-1.9394755994,0.1362940076,0.2353840078,0.2353840078,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Sb, expected Mg18BSb to be Mg14BSb" +mp-1026429,Mg14BSb,-1.9381868125,0.1375827944,0.2366727947,0.2366727947,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Sb, expected Mg26BSb to be Mg14BSb" +mp-1017263,Mg6BSb,-2.3513155213,0.1999436426,0.3752658294,0.3752658294,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Sb, expected Mg12BSb to be Mg6BSb" +mp-1100151,Mg6BSb,-2.413241955,0.1380172089,0.3133393957,0.3133393957,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Sb,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Sb +mp-1033732,Mg14BSbO16,-6.1247638359,-2.6135346768,0.3418275534,0.3418275534,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-Sb, expected Mg18BSbO20 to be Mg14BSbO16" +mp-1033691,Mg14BSbO16,-6.1206277003,-2.6093985412,0.345963689,0.345963689,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-Sb, expected Mg30BSbO32 to be Mg14BSbO16" +mp-1113694,Rb2LiVF6,-5.538042664,-3.0957655753,0.0036112955,0.0036112955,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Rb-V +mp-20345,GdCoC,-10.4095837617,-0.2718819192,0.0,-0.0160798983,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Gd,6.0,ABC_tP6_131_c_a_f:C-Co-Gd +mp-1077521,GdCo2B2C,-8.90680778,-0.4267733026,0.0221164071,0.0221164071,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Gd,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Gd +mp-1018146,GdCoC2,-10.2301147625,-0.3196720075,0.0,-0.1157605681,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Gd,4.0,A2BC_oC8_38_d_a_b:C-Co-Gd +mp-1221788,MnCoB2O5,-8.3804497728,-2.3401653078,0.1198205637,0.1198205637,GGA+U,P-1,A2BCD5_aP18_2_2i_i_i_5i:B-Co-Mn-O,18.0,A2BCD5_aP18_2_2i_i_i_5i:B-Co-Mn-O +mp-1221855,MnCo5(BO5)2,-7.6538762864,-1.6800276797,0.3281880681,0.3281880681,GGA+U,Pmc2_1,A2B5CD10_oP36_26_2a_2a3b_a_6a4b:B-Co-Mn-O,36.0,"Invalid WP multiplicities - A2B5CD10_oP36_26_3a_2a4b_a_9a6b:B-Co-Mn-O, expected MnCo6(BO5)3 to be MnCo5(BO5)2" +mp-1219791,PrZrNO2,-9.307316262,-2.9956205155,0.0474605223,0.0474605223,GGA,P2_1/c,AB2CD_mP20_14_e_2e_e_ad:N-O-Pr-Zr,20.0,AB2CD_mP20_14_e_2e_e_ab:N-O-Pr-Zr +mp-559426,Pr2Zr2O7,-9.4041443741,-3.8328685787,0.0,-0.0541325933,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Pr-Zr,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a2f_c_d:O-Pr-Zr, expected PrZrO7 to be Pr2Zr2O7" +mp-1210241,PrZrO14,-5.8298301959,-0.6684396745,0.6491088994,0.6491088994,GGA,Fd-3m,A14BC_cF128_227_cg_a_b:O-Pr-Zr,32.0,A14BC_cF128_227_cg_a_b:O-Pr-Zr +mp-10858,Lu(BC)2,-7.690116944,-0.4227039347,0.0275399685,0.0275399685,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Lu,10.0,A2B2C_tP10_127_g_g_b:B-C-Lu +mp-1095068,Lu(BC)2,-7.536581619,-0.2691686097,0.1810752935,0.1810752935,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Lu,10.0,A2B2C_tP10_131_j_l_f:B-C-Lu +mp-1105800,LuB2C,-7.3399047675,-0.562804879,0.0,-0.0392888013,GGA,Pbam,A2BC_oP16_55_2g_g_h:B-C-Lu,16.0,A2BC_oP16_55_2g_g_h:B-C-Lu +mp-1189682,LuB2C,-7.1181362581,-0.3410363696,0.2217685094,0.1824797081,GGA,P4/mbm,A2BC_tP16_127_i_g_h:B-C-Lu,16.0,A2BC_tP16_127_i_g_h:B-C-Lu +mp-15706,LuB2C,-7.3384052997,-0.5613054111,0.0014994678,-0.0377893334,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Lu,32.0,A2BC_tP32_135_2h_h_g:B-C-Lu +mp-10566,Lu3BC3,-7.3433866986,-0.4964952974,0.0,-0.0403505142,GGA,Cmcm,AB3C3_oC28_63_a_cf_cf:B-C-Lu,14.0,AB3C3_oC28_63_a_cf_cf:B-C-Lu +mp-1222448,Lu2Si9B36C,-6.6047692885,-0.197341527,0.0,-0.0415803817,GGA,Cm,A36BC2D9_mC96_8_4a16b_a_b_5a2b:B-C-Lu-Si,48.0,"Invalid WP multiplicities - A36BC2D9_mC96_8_4a24b_a_b_5a4b:B-C-Lu-Si, expected Lu2Si13B52C to be Lu2Si9B36C" +mp-567908,Lu4B3C4,-7.3490504109,-0.5275377416,0.0,-0.0069298691,GGA,P-1,A3B4C4_aP11_2_ai_2i_2i:B-C-Lu,11.0,"Invalid WP multiplicities - A3B4C4_aP11_2_ai_3i_3i:B-C-Lu, expected Lu2BC2 to be Lu4B3C4" +mp-1238866,LuBC,-7.1995427283,-0.3898734672,0.1470688443,0.1470688443,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Lu,6.0,ABC_hP6_194_c_d_a:B-C-Lu +mp-1246476,Si2AgN3,-7.2587114692,-0.8099319961,0.2008624122,0.2008624122,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Ag-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Ag-N-Si +mp-1247312,Si2AgN3,-7.0698243783,-0.6210449053,0.3897495031,0.3897495031,GGA,P3_121,AB3C2_hP18_152_a_bc_c:Ag-N-Si,18.0,AB3C2_hP18_152_a_bc_c:Ag-N-Si +mp-4400,Si2N2O,-8.0425222873,-1.5484593631,0.3713302047,0.3416652312,GGA,C2/c,A2BC2_mC60_15_3f_ef_3f:N-O-Si,30.0,"Invalid WP multiplicities - A2BC2_mC60_15_5f_e2f_3f:N-O-Si, expected Si6(N2O)5 to be Si2N2O" +mp-4497,Si2N2O,-8.413852492,-1.9197895678,0.0,-0.0296649735,GGA,Cmc2_1,A2BC2_oC20_36_b_a_b:N-O-Si,10.0,A2BC2_oC20_36_b_a_b:N-O-Si +mp-4644,Si2N2O,-8.2248209602,-1.730758036,0.1890315318,0.1593665583,GGA,I4_1/amd,A2BC2_tI80_141_2h_h_ceh:N-O-Si,40.0,A2BC2_tI80_141_2h_h_ceh:N-O-Si +mp-2948,Si2N2O,-8.2213336362,-1.7272707120000002,0.1925188558,0.1628538823,GGA,P-3m1,A2BC2_hP40_164_cd2i_di_ac2dfi:N-O-Si,40.0,A2BC2_hP40_164_cd2i_di_ac2dfi:N-O-Si +mp-1219350,Si2Ag9NO11,-5.4506106609,-1.1421884505,0.0275176585,0.0275176585,GGA,P1,A9BC11D2_aP23_1_9a_a_11a_2a:Ag-N-O-Si,23.0,A9BC11D2_aP23_1_9a_a_11a_2a:Ag-N-O-Si +mp-726849,Si17NO34,-8.2582736557,-3.0899213938,0.1152639244,0.1152639244,GGA,Fd-3m,AB34C17_cF416_227_a_efgh_beg:N-O-Si,104.0,AB34C17_cF416_227_a_efgh_beg:N-O-Si +mp-554361,TcXeO4F5,-4.7613878173,-1.1485730175,0.2450663219,0.2450663219,GGA,Cmc2_1,A5B4CD_oC44_36_3ab_2ab_a_a:F-O-Tc-Xe,22.0,"Invalid WP multiplicities - A5B4CD_oC44_36_6a3b_4a3b_a_a:F-O-Tc-Xe, expected TcXe(O5F6)2 to be TcXeO4F5" +mp-27477,TcOF4,-6.1450983789,-2.3195577912,0.0,-0.0822173597,GGA,P6_3/m,A4BC_hP36_176_2hi_h_h:F-O-Tc,36.0,"Invalid WP multiplicities - A4BC_hP36_176_2h2i_h_h:F-O-Tc, expected TcOF6 to be TcOF4" +mp-555390,TcO3F,-7.349794371,-1.9273575618,0.0212908944,0.0212908944,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:F-O-Tc,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_11e_e:F-O-Tc, expected TcO11F to be TcO3F" +mp-556442,Tc2O5F4,-6.8973812118,-2.0700505467,0.0,-0.0057527375,GGA,P2_1/c,A4B5C2_mP44_14_4e_5e_2e:F-O-Tc,44.0,"Invalid WP multiplicities - A4B5C2_mP44_14_13e_18e_4e:F-O-Tc, expected Tc4O18F13 to be Tc2O5F4" +mp-28804,TcO2F3,-6.4947178198,-2.1633089415,0.0,-0.0547568786,GGA,P-1,A3B2C_aP48_2_be11i_8i_4i:F-O-Tc,48.0,"Invalid WP multiplicities - A3B2C_aP48_2_be14i_12i_4i:F-O-Tc, expected Tc4(O4F5)3 to be TcO2F3" +mp-1111658,K2LiTlF6,-4.530571869,-2.7344480978,0.005783713,0.005783713,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Tl +mp-690727,H2PbO2,-5.263950958,-1.1856556415,0.1714618223,0.1714618223,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:H-O-Pb,20.0,A2B2C_oP20_62_2c_2c_c:H-O-Pb +mp-1105452,H2Pd(PbO2)2,-5.4797788794,-1.1267363367,0.1384351941,0.1384351941,GGA,P-1,A2B4C2D_aP18_2_2i_4i_2i_be:H-O-Pb-Pd,18.0,A2B4C2D_aP18_2_2i_4i_2i_be:H-O-Pb-Pd +mp-1103838,Pd2PbO4,-5.9126915714,-1.0756679236,0.0,-0.0666199393,GGA,I4_1/a,A4BC2_tI28_88_f_a_d:O-Pb-Pd,14.0,A4BC2_tI28_88_f_a_d:O-Pb-Pd +mp-28475,H2Pb3O4,-5.5959014472,-1.4058849867,0.0012747727,0.0012747727,GGA,P-42_1c,A2B4C3_tP36_114_e_2e_ce:H-O-Pb,36.0,"Invalid WP multiplicities - A2B4C3_tP36_114_e_3e_ce:H-O-Pb, expected H2(PbO2)3 to be H2Pb3O4" +mp-22367,PdPbO2,-5.84671569,-1.1502391144,0.0,-0.020151524,GGA,Imma,A2BC_oI16_74_g_e_a:O-Pb-Pd,8.0,A2BC_oI16_74_g_e_a:O-Pb-Pd +mp-1195421,Pd(PbO3)2,-5.2681110747,-0.569743495,0.5400449669,0.5400449669,GGA,P4_2/ncm,A6B2C_tP36_138_bej_i_c:O-Pb-Pd,36.0,A6B2C_tP36_138_bej_i_c:O-Pb-Pd +mp-1111199,K2AlTlI6,-2.870051116,-1.1531296189,0.1330497985,0.1330497985,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Al-I-K-Tl +mp-9068,K2NaAlP2,-3.5666148567,-0.5473641849,0.0,-0.0568587182,GGA,Ibam,AB2CD2_oI24_72_a_j_b_j:Al-K-Na-P,12.0,AB2CD2_oI24_72_a_j_b_j:Al-K-Na-P +mp-1111671,K2LiInF6,-4.861831121,-3.0268032914,0.0,-0.0009345087,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Li +mp-29972,Nd2P3Au,-5.8637144287,-1.0220336979,0.0310544945,0.0310544945,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Au-Nd-P,24.0,"Invalid WP multiplicities - AB2C3_mP24_14_e_4e_3e:Au-Nd-P, expected Nd4P3Au to be Nd2P3Au" +mp-1103406,Nd2P2AuO,-6.5416170658,-1.7777053009,0.0,-0.0132102415,GGA,C2/m,AB2CD2_mC24_12_i_2i_i_2i:Au-Nd-O-P,12.0,AB2CD2_mC24_12_i_2i_i_2i:Au-Nd-O-P +mp-10382,KEuPSe4,-5.6442109614,-1.249303938,0.0,-0.0046884827,GGA,P2_1/m,ABCD4_mP14_11_e_e_e_2ef:Eu-K-P-Se,14.0,"Invalid WP multiplicities - ABCD4_mP14_11_e_e_e_4ef:Eu-K-P-Se, expected KEuPSe6 to be KEuPSe4" +mp-628715,KEuPSe4,-5.6382132229,-1.2433061994,0.0059977386,0.0013092559,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Eu-K-P-Se,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_5c5d:Eu-K-P-Se, expected KEuPSe15 to be KEuPSe4" +mp-1194232,K4Eu(PSe4)2,-4.7387441307,-1.1725778358,0.0071612177,0.0071612177,GGA,Ibam,AB4C2D8_oI60_72_a_fj_j_2jk:Eu-K-P-Se,30.0,AB4C2D8_oI60_72_a_fj_j_2jk:Eu-K-P-Se +mp-1019739,Eu2Ge(BO4)2,-8.8872690013,-2.8819363331,0.0,-0.013735587,GGA,Pbcn,A2B2CD8_oP52_60_d_d_c_4d:B-Eu-Ge-O,52.0,A2B2CD8_oP52_60_d_d_c_4d:B-Eu-Ge-O +mp-1212867,GdAg(WO4)2,-9.2286521671,-2.362114801,0.0,-0.003143121,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Gd-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Gd-O-W +mp-1216719,U2TeSe,-8.24668725,-0.9411779023,0.044978471,0.044978471,GGA,R-3m,ABC2_hR12_166_a_b_c:Se-Te-U,4.0,ABC2_hR12_166_a_b_c:Se-Te-U +mp-1217034,U4(TeSe)3,-7.678250618,-1.1699214027,0.0089850428,0.0089850428,GGA,Pmc2_1,A3B3C4_oP20_26_2ab_a2b_2a2b:Se-Te-U,20.0,A3B3C4_oP20_26_2ab_a2b_2a2b:Se-Te-U +mp-1217019,U2TeSeS2,-7.6968846592,-1.4477284717,0.0496943008,0.0496943008,GGA,Pmc2_1,A2BCD2_oP12_26_ab_a_b_ab:S-Se-Te-U,12.0,A2BCD2_oP12_26_ab_a_b_ab:S-Se-Te-U +mp-1216936,U4TeSe7,-7.4275076833,-1.3624804936,0.0307871116,0.0307871116,GGA,Pm,A7BC4_mP12_6_3a4b_a_2a2b:Se-Te-U,12.0,A7BC4_mP12_6_3a4b_a_2a2b:Se-Te-U +mp-19866,UTeS,-7.5652908642,-1.3749022741,0.0,-0.0120665006,GGA,Pnma,ABC_oP12_62_c_c_c:S-Te-U,12.0,ABC_oP12_62_c_c_c:S-Te-U +mp-1102966,UTeSe,-7.1948261167,-1.217950323,0.0,-0.0090458815,GGA,Pnma,ABC_oP12_62_c_c_c:Se-Te-U,12.0,ABC_oP12_62_c_c_c:Se-Te-U +mp-1208105,UTeSe,-7.1678437592,-1.1909679655,0.0269823575,0.017936476,GGA,Pnma,ABC_oP12_62_c_c_c:Se-Te-U,12.0,ABC_oP12_62_c_c_c:Se-Te-U +mp-1208121,UTeSe,-7.0765980183,-1.0997222247,0.1182280983,0.1091822168,GGA,Pnma,ABC_oP12_62_c_c_c:Se-Te-U,12.0,ABC_oP12_62_c_c_c:Se-Te-U +mp-1216921,UTeSe,-7.0339902975,-1.0571145038,0.1608358192,0.1517899377,GGA,Pnma,ABC_oP12_62_c_c_c:Se-Te-U,12.0,ABC_oP12_62_c_c_c:Se-Te-U +mp-14352,KGeSbO5,-6.4393811195,-2.1148971698,0.0,-0.039095492,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Ge-K-O-Sb,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_4a_4a_13a_3a:Ge-K-O-Sb, expected K4Ge4Sb3O13 to be KGeSbO5" +mp-1207650,YbAg(WO4)2,-7.9682685392,-2.1464406697,0.0,-0.0058788398,GGA+U,C2/m,AB8C2D_mC48_12_i_2i3j_gi_h:Ag-O-W-Yb,,AB8C2D_mC48_12_i_2i3j_gi_h:Ag-O-W-Yb +mp-1233020,MgAs4(PO4)4,-6.9535334576,-2.1120541345,0.1888432333,0.1888432333,GGA,Pm,A4BC16D4_mP25_6_2a2b_a_4a4b4c_2a2b:As-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_6_2a2b_a_4a4b8c_2a2b:As-Mg-O-P, expected MgAs4(PO6)4 to be MgAs4(PO4)4" +mp-1234586,MgAs4(PO4)4,-6.9512141352,-2.1097348121,0.1911625557,0.1911625557,GGA,Pm,A4BC16D4_mP25_6_2a2b_a_4a4b4c_2a2b:As-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_6_2a2b_a_4a4b8c_2a2b:As-Mg-O-P, expected MgAs4(PO6)4 to be MgAs4(PO4)4" +mp-1234741,MgAs4(PO4)4,-6.9873869352,-2.1459076121,0.1549897557,0.1549897557,GGA,Pm,A4BC16D4_mP25_6_2a2b_a_4a4b4c_2a2b:As-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_6_2a2b_a_4a4b8c_2a2b:As-Mg-O-P, expected MgAs4(PO6)4 to be MgAs4(PO4)4" +mp-1224667,InSb3(PO4)6,-7.2722816071,-2.3799571494,0.0,-0.0047123572,GGA,Pc,AB24C6D3_mP68_7_a_24a_6a_3a:In-O-P-Sb,68.0,AB24C6D3_mP68_7_a_24a_6a_3a:In-O-P-Sb +mp-1196350,InSb(P2O7)2,-7.3464820907,-2.457105243,0.0,-0.0033777785,GGA,Pna2_1,AB14C4D_oP80_33_a_14a_4a_a:In-O-P-Sb,80.0,AB14C4D_oP80_33_a_14a_4a_a:In-O-P-Sb +mp-1227860,BaPPd,-5.1209595483,-0.9502397961,0.0,-0.1323930228,GGA,P2_1/c,ABC_mP12_14_e_e_e:Ba-P-Pd,12.0,ABC_mP12_14_e_e_e:Ba-P-Pd +mp-28895,Ba(P2Pd)2,-5.51263845,-0.6652172233,0.0,-0.017034435,GGA,I4/mmm,AB4C2_tI14_139_a_j_d:Ba-P-Pd,7.0,AB4C2_tI14_139_a_j_d:Ba-P-Pd +mp-1214414,BaP2PdO7,-7.3892292225,-2.6117489732,0.0,-0.0279732818,GGA,Pnma,AB7C2D_oP44_62_c_3c2d_2c_a:Ba-O-P-Pd,44.0,AB7C2D_oP44_62_c_3c2d_2c_a:Ba-O-P-Pd +mp-685613,Ba2PPd2,-4.61669437,-0.6944911687,0.096088529,0.096088529,GGA,Pnma,A2BC2_oP20_62_d_c_2c:Ba-P-Pd,20.0,"Invalid WP multiplicities - A2BC2_oP20_62_d_c_6c:Ba-P-Pd, expected Ba2PPd6 to be Ba2PPd2" +mp-28894,Ba2P3Pd,-5.1231840863,-0.9135608846,0.0,-0.0269118288,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Ba-P-Pd,24.0,"Invalid WP multiplicities - A2B3C_mP24_14_2e_4e_e:Ba-P-Pd, expected Ba2P4Pd to be Ba2P3Pd" +mp-8236,Ba(PPd)2,-5.418902352,-0.7978336373,0.0,-0.0415535629,GGA,P4/mmm,AB2C2_tP5_123_a_h_e:Ba-P-Pd,5.0,AB2C2_tP5_123_a_h_e:Ba-P-Pd +mp-1179115,Tl2TeSO10,-5.5096123861,-1.1187603028,0.1987633972,0.1987633972,GGA,P2_1/c,A10BCD2_mP56_14_10e_e_ad_2e:O-S-Te-Tl,56.0,A10BCD2_mP56_14_10e_e_ad_2e:O-S-Te-Tl +mp-17172,Tl2TeS3,-3.8422509779,-0.4625940134,0.0264121584,0.0264121584,GGA,Pnma,A3BC2_oP24_62_cd_c_d:S-Te-Tl,24.0,"Invalid WP multiplicities - A3BC2_oP24_62_c2d_c_d:S-Te-Tl, expected Tl2TeS5 to be Tl2TeS3" +mp-1213278,DyTlS2O9,-6.6385954696,-2.0414779218,0.1887776472,0.1887776472,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Dy-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Dy-O-S-Tl +mp-556474,Pr2B2MoO9,-8.6389040814,-3.0470152555,0.0024980972,0.0024980972,GGA+U,P-1,A2BC9D2_aP28_2_2i_i_9i_2i:B-Mo-O-Pr,28.0,"Invalid WP multiplicities - A2BC9D2_aP28_2_3i_i_17i_3i:B-Mo-O-Pr, expected Pr3B3MoO17 to be Pr2B2MoO9" +mp-1209097,RbTa(BO3)2,-8.59933537,-3.0116126188,0.0,-0.0287174599,GGA,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:B-O-Rb-Ta,20.0,A2B6CD_oP20_31_b_2a2b_a_a:B-O-Rb-Ta +mp-1209670,PrMg(BO2)5,-8.3460940468,-3.0963862955,0.0,-0.0127073393,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Pr,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Pr +mp-1226543,CeGaO2,-7.11190642,-2.39826577,0.5514010911,0.5514010911,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ce-Ga-O,4.0,ABC2_tP4_123_a_d_e:Ce-Ga-O +mp-1227560,Ce4Ga2S5O4,-7.2899574607,-2.6061206044,0.0423212387,0.0423212387,GGA,P1,A4B2C4D5_aP15_1_4a_2a_4a_5a:Ce-Ga-O-S,15.0,A4B2C4D5_aP15_1_4a_2a_4a_5a:Ce-Ga-O-S +mp-1019598,CeGaO3,-7.757944517,-2.9976942548,0.1186259159,0.1186259159,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ce-Ga-O,20.0,ABC3_oP20_62_c_a_cd:Ce-Ga-O +mp-33365,CeGaO3,-7.652547534,-2.8922972718,0.2240228989,0.2240228989,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ce-Ga-O,5.0,ABC3_cP5_221_a_b_c:Ce-Ga-O +mp-22540,CeGaO3,-7.001328244,-2.2410779818,0.8752421889,0.8752421889,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ce-Ga-O,5.0,ABC3_cP5_221_b_a_c:Ce-Ga-O +mp-1192260,Rb2U(PdS2)3,-5.6623875975,-1.194819032,0.0,-0.0354724233,GGA,Fmmm,A3B2C6D_oF96_69_gn_fh_mp_i:Pd-Rb-S-U,24.0,A3B2C6D_oF96_69_gn_fh_mp_i:Pd-Rb-S-U +mp-1200206,Rb2U6Pd4S17,-7.0040971759,-1.4610384455,0.0,-0.0368652057,GGA,P4/mnc,A4B2C17D6_tP58_128_h_e_a2i_dh:Pd-Rb-S-U,58.0,A4B2C17D6_tP58_128_h_e_a2i_dh:Pd-Rb-S-U +mp-1209213,RbGa(SO4)2,-6.36515199,-2.0438986968,0.0031580291,0.0031580291,GGA,P321,AB8CD2_hP12_150_a_dg_b_d:Ga-O-Rb-S,12.0,AB8CD2_hP12_150_a_dg_b_d:Ga-O-Rb-S +mp-558706,RbGa3S5,-4.5609275078,-1.1445862328,0.0,-0.0327110724,GGA,P2_1/c,A3BC5_mP36_14_3e_e_5e:Ga-Rb-S,36.0,"Invalid WP multiplicities - A3BC5_mP36_14_8e_e_15e:Ga-Rb-S, expected RbGa8S15 to be RbGa3S5" +mp-561407,RbGaS2,-4.3667530434,-1.2963705863,0.0,-0.1476642334,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Ga-Rb-S,32.0,"Invalid WP multiplicities - ABC2_mC64_15_3f_3f_3e8f:Ga-Rb-S, expected Rb6Ga6S19 to be RbGaS2" +mp-1247362,CrCN2,-9.0406142462,-0.1519385431,0.2120403208,0.2120403208,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:C-Cr-N,8.0,ABC2_hP8_194_c_a_f:C-Cr-N +mp-1246433,Cr(CN)3,-8.7146439775,0.1922886971,0.4106826223,0.4106826223,GGA,P6_3/mmc,A3BC3_hP28_194_k_ac_k:C-Cr-N,28.0,A3BC3_hP28_194_k_ac_k:C-Cr-N +mp-1247236,Cr(C4N3)2,-8.6847478247,0.2153415727,0.3172587378,0.3172587378,GGA,P-3m1,A8BC6_hP15_164_di_a_i:C-Cr-N,15.0,"Invalid WP multiplicities - A8BC6_hP15_164_2d2i_a_i:C-Cr-N, expected Cr(C8N3)2 to be Cr(C4N3)2" +mp-1226051,Cr6C3N,-9.592067872,-0.1979902498,0.0217157637,0.0217157637,GGA,C2/m,A3B6C_mC20_12_ai_3i_c:C-Cr-N,10.0,A3B6C_mC20_12_ai_3i_d:C-Cr-N +mp-1226045,Cr6C3N,-9.528295641,-0.1342180188,0.0854879947,0.0854879947,GGA,Amm2,A3B6C_oC20_38_ac_ab2c_b:C-Cr-N,10.0,"Invalid WP multiplicities - A3B6C_oC20_38_ac_ab4c_b:C-Cr-N, expected Cr10C3N to be Cr6C3N" +mp-623837,As(CN)3,-7.6825961286,0.5109181082,0.5109181082,0.5109181082,GGA,C2,AB3C3_mC28_5_c_3c_3c:As-C-N,14.0,"Invalid WP multiplicities - AB3C3_mC28_5_c_4c_5c:As-C-N, expected AsC4N5 to be As(CN)3" +mp-608317,As(CN)3,-7.5975484257,0.5959658111,0.5959658111,0.5959658111,GGA,C2,AB3C3_mC28_5_c_3c_3c:As-C-N,14.0,"Invalid WP multiplicities - AB3C3_mC28_5_c_4c_6c:As-C-N, expected As(C2N3)2 to be As(CN)3" +mp-1226081,Cr12As4C3N,-8.660611466,-0.1358347329,0.055871346,0.055871346,GGA,C2/m,A4B3C12D_mC40_12_2i_ai_6i_c:As-C-Cr-N,20.0,"Invalid WP multiplicities - A4B3C12D_mC40_12_3i_ai_9i_d:As-C-Cr-N, expected Cr18As6C3N to be Cr12As4C3N" +mp-22209,Cr3AsN,-8.731255336,-0.340304188,0.0344434443,0.0344434443,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:As-Cr-N,10.0,"Invalid WP multiplicities - AB3C_tI20_140_b_a2h_c:As-Cr-N, expected Cr5AsN to be Cr3AsN" +mp-1245711,Cr4CN4,-9.3232950708,-0.3025356183,0.3121636861,0.3121636861,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Cr-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Cr-N +mp-1246883,Cr(C2N3)3,-8.6006637712,0.1526796506,0.2482269929,0.2482269929,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Cr-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Cr-N +mp-1227287,Cr30As11C4,-8.3906321204,0.0039542912,0.1214369047,0.1214369047,GGA,Amm2,A11B4C30_oC90_38_a5e_2d_ab7d7e:As-C-Cr,,"Invalid WP multiplicities - A11B4C30_oC90_38_a9e_3d_ab12d12e:As-C-Cr, expected Cr50As19C6 to be Cr30As11C4" +mp-1190798,Cr2(CN2)3,-9.0971432655,-0.2779559048,0.0,-0.0264880075,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Cr-N,22.0,A3B2C6_hR66_167_e_c_f:C-Cr-N +mp-1079324,Cr3AsC,-8.643539288,-0.0741540265,0.0565382013,0.0565382013,GGA,Cmcm,ABC3_oC20_63_c_a_cf:As-C-Cr,10.0,ABC3_oC20_63_c_a_cf:As-C-Cr +mp-1226144,Cr12As5C,-8.2360911456,0.0061770299,0.124027092,0.124027092,GGA,Pmm2,A5BC12_oP18_25_a2f_c_abcd2e2f:As-C-Cr,18.0,"Invalid WP multiplicities - A5BC12_oP18_25_a3f_c_abcd3e3f:As-C-Cr, expected Cr16As7C to be Cr12As5C" +mp-1197791,LaTl(SO5)2,-6.3635452416,-1.7179425918,0.3492187744,0.3492187744,GGA,P2_1/c,AB10C2D_mP56_14_e_10e_2e_e:La-O-S-Tl,56.0,AB10C2D_mP56_14_e_10e_2e_e:La-O-S-Tl +mp-1227094,CaUTi2O7,-9.3488635314,-3.5566076312,0.0457668336,0.0457668336,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Ca-O-Ti-U,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Ca-O-Ti-U, expected CaUTi2O13 to be CaUTi2O7" +mp-1227253,CaU3Ti8O24,-9.6322380592,-3.5832298616,0.0,-0.0069780994,GGA,P-1,AB24C8D3_aP36_2_b_12i_4i_ei:Ca-O-Ti-U,36.0,"Invalid WP multiplicities - AB24C8D3_aP36_2_b_24i_8i_e2i:Ca-O-Ti-U, expected CaU5Ti16O48 to be CaU3Ti8O24" +mp-1197149,ReSi2(PO5)3,-8.0810532662,-2.6650817693,0.0,-0.0019970026,GGA,P-1,A15B3CD2_aP42_2_be14i_3i_i_2i:O-P-Re-Si,42.0,A15B3CD2_aP42_2_be14i_3i_i_2i:O-P-Re-Si +mp-1225372,Dy2Si9B36C,-6.6178748002,-0.2068705254,0.0,-0.0442678261,GGA,Cm,A36BC2D9_mC96_8_4a16b_a_b_5a2b:B-C-Dy-Si,48.0,"Invalid WP multiplicities - A36BC2D9_mC96_8_4a24b_a_b_5a4b:B-C-Dy-Si, expected Dy2Si13B52C to be Dy2Si9B36C" +mp-1207574,Y2Mn17C3,-9.0155731816,-0.0895186966,0.0084027453,0.0084027453,GGA,P6_3/mmc,A3B17C2_hP44_194_h_fgjk_bc:C-Mn-Y,44.0,A3B17C2_hP44_194_h_fgjk_bc:C-Mn-Y +mp-1197605,Y10Mn13C18,-8.8392957329,-0.3054691769,0.0,-0.0528249033,GGA,I-43m,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Y,41.0,A18B13C10_cI82_217_eg_ag_cd:C-Mn-Y +mp-1207824,Y12(MnC3)5,-8.5315770281,-0.3491485216,0.0,-0.0384226242,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Y,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Mn-Y +mp-1207480,Y2MnC4,-8.6858037314,-0.2558580902,0.01882185,0.01882185,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Mn-Y,14.0,A4BC2_oI28_72_2j_a_j:C-Mn-Y +mp-1206001,YMn2SiC,-8.385053275,-0.496156231,0.0,-0.0595236492,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Mn-Si-Y +mp-1201217,CsVSeO5,-6.76409164,-1.9880087055,0.0,-0.0308642626,GGA+U,P2_1,AB5CD_mP32_4_2a_10a_2a_2a:Cs-O-Se-V,32.0,AB5CD_mP32_4_2a_10a_2a_2a:Cs-O-Se-V +mp-18545,CsV3(SeO6)2,-7.2406071936,-1.9906511896,0.0,-0.0144617457,GGA+U,P6_3,AB12C2D3_hP36_173_b_4c_ab_c:Cs-O-Se-V,36.0,"Invalid WP multiplicities - AB12C2D3_hP36_173_b_4c_2ab_c:Cs-O-Se-V, expected CsV3(SeO4)3 to be CsV3(SeO6)2" +mp-1224146,K3Np3Si2O13,-8.6278939286,-3.0406498719,0.1202150619,0.1202150619,GGA,P3,A3B3C13D2_hP21_143_d_d_a4d_ab:K-Np-O-Si,21.0,A3B3C13D2_hP21_143_d_d_a4d_ab:K-Np-O-Si +mp-1186349,NpSiO3,-9.168627902,-2.525995133,0.615645919,0.615645919,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Np-O-Si,5.0,AB3C_cP5_221_a_c_b:Np-O-Si +mp-1226753,CdBiIO2,-4.57241163,-1.3463870975,0.0316787446,0.0316787446,GGA,I4mm,ABCD2_tI10_107_a_a_a_b:Bi-Cd-I-O,5.0,ABCD2_tI10_107_a_a_a_b:Bi-Cd-I-O +mp-1049278,Ba2YCo2F11,-6.3481282192,-3.5014203926,0.0631314421,0.0631314421,GGA+U,P3_2,A2B2C11D_hP48_145_2a_2a_11a_a:Ba-Co-F-Y,48.0,"Invalid WP multiplicities - A2B2C11D_hP48_145_5a_5a_31a_a:Ba-Co-F-Y, expected Ba5YCo5F31 to be Ba2YCo2F11" +mp-1392689,YCoF5,-6.6676860157,-3.3630883377,0.1750258539,0.1750258539,GGA+U,Immm,AB5C_oI14_71_b_ceg_a:Co-F-Y,7.0,AB5C_oI14_71_b_ceg_a:Co-F-Y +mp-1359624,YCo3F15,-5.2304425397,-2.2586736444,0.0371001672,0.0371001672,GGA+U,P2_1/m,A3B15C_mP38_11_af_3e6f_e:Co-F-Y,38.0,"Invalid WP multiplicities - A3B15C_mP38_11_2a2f_6e24f_e:Co-F-Y, expected YCo6F54 to be YCo3F15" +mp-1220115,NdV2Fe10N,-8.4181631414,-0.1344012416,0.158200955,0.158200955,GGA,Immm,A10BCD2_oI28_71_efgk_a_c_h:Fe-N-Nd-V,14.0,A10BCD2_oI28_71_efgk_a_c_h:Fe-N-Nd-V +mp-559878,K2Na2IrO4,-5.2904770106,-1.569250621,0.0,-0.0134435272,GGA,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:Ir-K-Na-O,36.0,"Invalid WP multiplicities - AB2C2D4_mP36_14_e_3e_7e_10e:Ir-K-Na-O, expected K3Na7IrO10 to be K2Na2IrO4" +mp-1180300,NClO3,-5.43081604,-0.4257964962,0.096921773,0.0925965664,GGA,Cm,ABC3_mC10_8_a_a_ab:Cl-N-O,5.0,ABC3_mC10_8_a_a_ab:Cl-N-O +mp-1180304,NClO3,-4.816214372,0.1888051717,0.7115234410000001,0.7071982344000001,GGA,Cm,ABC3_mC10_8_a_a_ab:Cl-N-O,5.0,ABC3_mC10_8_a_a_ab:Cl-N-O +mp-754712,NClO3,-5.527737813,-0.5227182693,0.0,-0.0043252066,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:Cl-N-O,20.0,"Invalid WP multiplicities - ABC3_oP20_19_a_a_9a:Cl-N-O, expected NClO9 to be NClO3" +mp-1070665,NClO3,-4.115987836,0.8890317078000001,1.411749977,1.4074247704,GGA,R3m,ABC3_hR15_160_a_a_b:Cl-N-O,5.0,ABC3_hR15_160_a_a_b:Cl-N-O +mp-722193,NClO2,-4.0463821125,0.9732201394,1.48856642,1.48856642,GGA,P4bm,ABC2_tP8_100_b_a_c:Cl-N-O,8.0,ABC2_tP8_100_b_a_c:Cl-N-O +mp-1210538,NClO2,-4.0495968425,0.9700054094,1.48535169,1.48535169,GGA,P-42_1m,ABC2_tP8_113_c_a_e:Cl-N-O,8.0,ABC2_tP8_113_c_a_e:Cl-N-O +mp-1103281,NClO,-5.4286207675,-0.3847140021,0.0191339017,-0.041149815,GGA,P2_1/c,ABC_mP12_14_e_e_e:Cl-N-O,12.0,ABC_mP12_14_e_e_e:Cl-N-O +mp-726023,NClO,-5.4240819075,-0.3801751421,0.0236727617,-0.036610955,GGA,P2_1/c,ABC_mP12_14_e_e_e:Cl-N-O,12.0,ABC_mP12_14_e_e_e:Cl-N-O +mp-505727,NClO,-5.4477546692,-0.4038479037,0.0,-0.0602837167,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-N-O,12.0,ABC_oP12_62_c_c_c:Cl-N-O +mp-1193689,NCl2O11,-4.9375461707,-0.1913215944,0.165259035,0.165259035,GGA,C2/c,A2BC11_mC56_15_f_c_e5f:Cl-N-O,28.0,A2BC11_mC56_15_f_c_e5f:Cl-N-O +mp-1208371,TlN2Cl5O,-3.0991878983,0.5924793248,1.2278435053,1.2278435053,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-N-O-Tl,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-N-O-Tl +mp-724172,NClO4,-4.2512352317,0.7440625067000001,1.2644867573,1.2644867573,GGA,F-43m,ABC4_cF24_216_a_b_e:Cl-N-O,6.0,ABC4_cF24_216_a_b_e:Cl-N-O +mp-1190590,NClO4,-4.2613831871,0.7339145513,1.2543388019,1.2543388019,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cl-N-O,24.0,ABC4_oP24_62_c_c_2cd:Cl-N-O +mp-1192449,NClO4,-4.4292034421,0.5660942963,1.0865185469,1.0865185469,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Cl-N-O,24.0,ABC4_oP24_62_c_c_2cd:Cl-N-O +mp-27774,NClO6,-5.4229710244,-0.4398255428,0.0127523404,0.0127523404,GGA,C2/c,ABC6_mC32_15_e_e_3f:Cl-N-O,16.0,"Invalid WP multiplicities - ABC6_mC32_15_e_e_4f:Cl-N-O, expected NClO8 to be NClO6" +mp-1183019,AlH15Br3N5,-4.2734013534,-0.0659835984,0.6966251549,0.6687470311,GGA,Pnma,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Br-H-N,96.0,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Br-H-N +mp-1199829,AlH15Br3N5,-4.9700265083,-0.7626087533,0.0,-0.0278781238,GGA,Pnma,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Br-H-N,96.0,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Br-H-N +mp-1246676,Mg3(AlN2)2,-6.1736951867,-1.1028094633,0.0988785615,0.0988785615,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Al-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:Al-Mg-N +mp-1185674,Mg16Al12N,-2.7454600203,-0.0251881002,0.1092488529,0.1092488529,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-N,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-N, expected Mg26Al20N to be Mg16Al12N" +mp-1222157,MgAlNF6,-5.492058455,-2.6974779428,0.2991575925,0.2991575925,GGA,Imma,AB6CD_oI36_74_a_2ej_c_e:Al-F-Mg-N,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_c_e:Al-F-Mg-N, expected MgAlNF12 to be MgAlNF6" +mp-17128,CsTb(PO3)4,-7.7352372664,-2.9272793201,0.0,-0.0063575962,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Cs-O-P-Tb,36.0,AB12C4D_mP36_4_a_12a_4a_a:Cs-O-P-Tb +mp-1213302,CsTbP2O7,-7.7817578207,-3.1469219603,0.0,-0.01957053,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Tb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Tb +mp-1195357,K4Yb2Si8O21,-7.4751877954,-3.0522215233,0.0,-0.0046982752,GGA,C2/c,A4B21C8D2_mC140_15_2f_e10f_4f_f:K-O-Si-Yb,,A4B21C8D2_mC140_15_2f_e10f_4f_f:K-O-Si-Yb +mp-16599,K3YbSi2O7,-6.7158221776,-2.8428789345,0.0,-0.0434892296,GGA,P6_3/mcm,A3B7C2D_hP78_193_bck_gkl_k_ad:K-O-Si-Yb,,"Invalid WP multiplicities - A3B7C2D_hP78_193_2bc2k_gkl_k_2ad:K-O-Si-Yb, expected K16Yb4(Si2O7)3 to be K3YbSi2O7" +mp-1191149,Rb2U(PtS2)3,-5.8899428392,-1.1995613961,0.0,-0.0694489725,GGA,Fmmm,A3B2C6D_oF96_69_gn_fh_mp_i:Pt-Rb-S-U,24.0,A3B2C6D_oF96_69_gn_fh_mp_i:Pt-Rb-S-U +mp-7929,Rb2PtS2,-4.362270108,-1.1012498682,0.0,-0.0738075953,GGA,Immm,AB2C2_oI10_71_a_f_h:Pt-Rb-S,5.0,AB2C2_oI10_71_a_f_h:Pt-Rb-S +mp-663224,Rb2Pt3S4,-5.0057457944,-0.9257160642,0.0126432489,-0.0211839367,GGA,Cm,A3B2C4_mC18_8_ab_2a_2b:Pt-Rb-S,9.0,A3B2C4_aP9_1_3a_2a_4a:Pt-Rb-S +mp-4030,Rb2Pt3S4,-5.0183890433,-0.9383593131,0.0,-0.0338271856,GGA,Fmmm,A3B2C4_oF36_69_ac_g_n:Pt-Rb-S,9.0,A3B2C4_oF36_69_ac_g_n:Pt-Rb-S +mp-1072114,HoOF,-8.0950760717,-4.2815505554,0.0,-0.0556340729,GGA,R-3m,ABC_hR18_166_c_c_c:F-Ho-O,6.0,ABC_hR18_166_c_c_c:F-Ho-O +mp-559838,HoMoO4F,-8.3050652268,-3.0013091136,0.002000897,0.002000897,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:F-Ho-Mo-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_12e:F-Ho-Mo-O, expected HoMoO12F to be HoMoO4F" +mp-23497,Li2ZnI4,-2.7557218029,-1.1884282681,0.0270591996,0.0270591996,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:I-Li-Zn,28.0,A4B2C_oP28_62_2cd_ac_c:I-Li-Zn +mp-1104352,LiZnIO4,-4.9033130729,-1.4134862626,0.0960984532,0.0960984532,GGA,Ama2,ABC4D_oC28_40_b_b_2bc_a:I-Li-O-Zn,14.0,ABC4D_oC28_40_b_b_2bc_a:I-Li-O-Zn +mp-1147706,KNiTeO6,-5.6251507589,-1.2124870047,0.1056901649,0.1056901649,GGA+U,P312,ABC6D_hP9_149_b_c_l_e:K-Ni-O-Te,9.0,ABC6D_hP9_149_b_c_l_e:K-Ni-O-Te +mp-559070,Li2Hg(PO3)4,-6.9412832504,-2.460493742,0.0050169205,0.0050169205,GGA,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Hg-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_8e_45e_14e:Hg-Li-O-P, expected Li8HgP14O45 to be Li2Hg(PO3)4" +mp-972831,SiGeN2O,-7.697506713,-1.3639018237,0.0452656183,0.0452656183,GGA,P2_1,AB2CD_mP10_4_a_2a_a_a:Ge-N-O-Si,10.0,"Invalid WP multiplicities - AB2CD_mP10_4_a_3a_a_a:Ge-N-O-Si, expected SiGeN3O to be SiGeN2O" +mp-1020703,SiGeN2O,-7.697822954,-1.3642180647,0.0449493773,0.0449493773,GGA,Cm,AB2CD_mC20_8_b_2b_2a_b:Ge-N-O-Si,10.0,AB2CD_mC20_8_b_2b_2a_b:Ge-N-O-Si +mp-29108,MnAs2F12,-5.3099645593,-2.5487645785,0.0,-0.0422770373,GGA+U,I-42d,A2B12C_tI60_122_c_3e_a:As-F-Mn,30.0,"Invalid WP multiplicities - A2B12C_tI60_122_c_4e_a:As-F-Mn, expected MnAs2F16 to be MnAs2F12" +mp-1195473,KMnAs3F18,-5.0528045987,-2.5025267348,0.1146997152,0.1146997152,GGA+U,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Mn,92.0,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Mn +mp-559298,La5Sb4(O4F)3,-7.6184141128,-3.1896331994,0.0,-0.0021853054,GGA,P4/ncc,A3B5C12D4_tP96_130_cf_cg_3g_g:F-La-O-Sb,96.0,"Invalid WP multiplicities - A3B5C12D4_tP96_130_3c3f_3c4g_34g_g:F-La-O-Sb, expected La19Sb4O136F9 to be La5Sb4(O4F)3" +mp-1020606,SrBe2(PO4)2,-7.7201329898,-3.1379457678,0.0,-0.0890730666,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Be-O-P-Sr,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Be-O-P-Sr +mp-1213946,CeTl(WO4)2,-8.4830011267,-2.3342092557,0.1486235287,0.1486235287,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:Ce-O-Tl-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:Ce-O-Tl-W +mp-1213822,CeTl(WO4)2,-8.6170187529,-2.4682268819,0.0146059025,0.0146059025,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Ce-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Ce-O-Tl-W +mp-1226194,Cu6SnWS8,-5.2484374888,-0.5825286738000001,0.0198209341,0.0198209341,GGA,P-4m2,A6B8CD_tP16_115_gi_jk_a_b:Cu-S-Sn-W,16.0,"Invalid WP multiplicities - A6B8CD_tP16_115_2g3i_2j2k_a_b:Cu-S-Sn-W, expected Cu16SnWS16 to be Cu6SnWS8" +mp-1212788,FePt(CN)6,-8.420207405,0.1463723832,0.1928792889,0.1928792889,GGA,Fm-3m,A6BC6D_cF56_225_e_a_e_b:C-Fe-N-Pt,14.0,A6BC6D_cF56_225_e_a_e_b:C-Fe-N-Pt +mp-9365,RbTbS2,-5.569924975,-2.0979749984,0.0,-0.1776283409,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Tb,4.0,AB2C_hR12_166_a_c_b:Rb-S-Tb +mp-1210876,RbTb(SO6)2,-5.8972941041,-1.3192900765,0.5893362016,0.5893362016,GGA,P2_1/c,A12BC2D_mP64_14_12e_e_2e_e:O-Rb-S-Tb,64.0,A12BC2D_mP64_14_12e_e_2e_e:O-Rb-S-Tb +mp-1209445,RbTbS2O9,-6.710320484,-2.2173975373,0.1316809588,0.1316809588,GGA,P2_1/c,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Tb,52.0,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Tb +mp-1016585,Mg6NbB,-2.8585280863,0.4392690526,0.6400906386,0.6400906386,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Nb, expected Mg12NbB to be Mg6NbB" +mp-1016598,Mg6NbB,-2.9340343294,0.3637628095,0.5645843955000001,0.5645843955000001,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:B-Mg-Nb, expected Mg12NbB to be Mg6NbB" +mp-1196847,Mg5Nb(BO4)3,-7.7028683042,-3.059956631,0.0,-0.0086670723,GGA,Pnma,A3B5CD12_oP84_62_cd_c2d_c_4c4d:B-Mg-Nb-O,84.0,A3B5CD12_oP84_62_cd_c2d_c_4c4d:B-Mg-Nb-O +mp-2219183,MgNb2(BO4)2,-8.4365621038,-2.6877018453,0.2516495281,0.2516495281,GGA,C2,A2BC2D8_mC26_5_c_a_c_4c:B-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_c_a_c_8c:B-Mg-Nb-O, expected MgNb2(BO8)2 to be MgNb2(BO4)2" +mp-2219466,MgNb2(BO4)2,-8.3755839031,-2.6267236445,0.3126277288,0.3126277288,GGA,C2/m,A2BC2D8_mC26_12_i_a_i_2ij:B-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_12_i_a_i_4i3j:B-Mg-Nb-O, expected MgNb2(BO10)2 to be MgNb2(BO4)2" +mp-1026525,Mg14NbB,-2.2128608975,0.2361776969,0.3421964177,0.3421964177,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Nb, expected Mg18NbB to be Mg14NbB" +mp-1026514,Mg14NbB,-2.2196869419,0.2293516526,0.3353703734,0.3353703734,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Nb, expected Mg26NbB to be Mg14NbB" +mp-620325,CoCu2(BO3)2,-7.120713883,-1.8165641608,0.1470453057,0.1470453057,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:B-Co-Cu-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_7e_e_2e_21e:B-Co-Cu-O, expected CoCu2(BO3)7 to be CoCu2(BO3)2" +mp-19140,K3MnO4,-5.8089198231,-1.7739239509,0.0,-0.0045759931,GGA+U,I-42m,A3BC4_tI16_121_ad_b_i:K-Mn-O,32.0,A3BC4_tI16_121_ad_b_i:K-Mn-O +mp-19148,K2Mn2O3,-6.8198010707000005,-1.7648161262,0.0,-0.0508699117,GGA+U,P2_1/c,A2B2C3_mP14_14_e_e_ae:K-Mn-O,14.0,A2B2C3_mP14_14_e_e_ae:K-Mn-O +mp-1223635,KMn8O16,-8.04344362,-1.9013019935,0.0,-0.0057715547,GGA+U,P-1,AB8C16_aP25_2_a_4i_8i:K-Mn-O,25.0,"Invalid WP multiplicities - AB8C16_aP25_2_a_6i_12i:K-Mn-O, expected KMn12O24 to be KMn8O16" +mp-1016153,KMn8O16,-8.0228293236,-1.8806876971,0.0206142964,0.0148427417,GGA+U,P4/n,AB8C16_tP50_85_c_2g_4g:K-Mn-O,50.0,"Invalid WP multiplicities - AB8C16_tP50_85_c_15g_28g:K-Mn-O, expected KMn60O112 to be KMn8O16" +mp-1016190,KMn3O6,-7.795889015,-1.9682313059,0.0,-0.018866604,GGA+U,C2/c,AB3C6_mC80_15_f_3f_6f:K-Mn-O,40.0,"Invalid WP multiplicities - AB3C6_mC80_15_f_10f_20f:K-Mn-O, expected KMn10O20 to be KMn3O6" +mp-1003314,KMn2O4,-7.57151215,-1.9684858106,0.0,-0.0035776589,GGA+U,P-1,AB2C4_aP7_2_b_cd_2i:K-Mn-O,7.0,"Invalid WP multiplicities - AB2C4_aP7_2_b_cd_3i:K-Mn-O, expected KMn2O6 to be KMn2O4" +mp-1223545,KMn2O4,-7.5534714407,-1.9504451013,0.0180407093,0.0144630504,GGA+U,Cm,AB2C4_mC28_8_2a_4a_8a:K-Mn-O,14.0,AB2C4_mC28_8_2a_4a_8a:K-Mn-O +mp-1003437,KMn2O4,-7.5536315595,-1.95060522,0.0178805905,0.0143029316,GGA+U,P2/c,AB2C4_mP56_13_2g_4g_8g:K-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_mP56_13_7g_15g_31g:K-Mn-O, expected K7Mn15O31 to be KMn2O4" +mp-1080245,KMn2O4,-7.4017187889,-1.7986924495,0.1697933611,0.1662157021,GGA+U,P4_2/n,AB2C4_tP56_86_g_2g_4g:K-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_tP56_86_g_11g_23g:K-Mn-O, expected KMn11O23 to be KMn2O4" +mp-1195778,K2Mn3(AsO4)3,-7.1361580252,-1.9839348492,0.0,-0.0138382847,GGA+U,C2/c,A3B2C3D12_mC80_15_ef_ae_ef_6f:As-K-Mn-O,40.0,A3B2C3D12_mC80_15_ef_ae_ef_6f:As-K-Mn-O +mp-694957,KMn4O8,-7.6609253062,-1.7123122442,0.2335749276,0.2335749276,GGA+U,P1,AB4C8_aP13_1_a_4a_8a:K-Mn-O,13.0,AB4C8_aP13_1_a_4a_8a:K-Mn-O +mp-1003312,KMn4O8,-7.8876817823,-1.9390687204,0.0068184514,0.0068184514,GGA+U,C2/m,AB4C8_mC26_12_c_abe_2ij:K-Mn-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_c_abf_4ij:K-Mn-O, expected KMn4O12 to be KMn4O8" +mp-1003316,KMn4O8,-7.886681109199999,-1.9380680473,0.0078191245,0.0078191245,GGA+U,I4/m,AB4C8_tI26_87_a_h_2h:K-Mn-O,13.0,AB4C8_tI26_87_a_h_2h:K-Mn-O +mp-1194679,K5Mn3O6,-6.1980475859,-1.7181780946,0.025158322,0.025158322,GGA+U,Pna2_1,A5B3C6_oP56_33_5a_3a_6a:K-Mn-O,56.0,A5B3C6_oP56_33_5a_3a_6a:K-Mn-O +mp-1194415,K3Mn2O8,-6.3145648992,-1.6046620442,0.002507365,0.002507365,GGA+U,P2_1/m,A3B2C8_mP26_11_3e_2e_4e2f:K-Mn-O,26.0,A3B2C8_mP26_11_3e_2e_4e2f:K-Mn-O +mp-510713,K3Mn2O8,-6.3103161738,-1.6004133188,0.0067560904,0.0067560904,GGA+U,R-3m,A3B2C8_hR39_166_ac_c_ch:K-Mn-O,13.0,"Invalid WP multiplicities - A3B2C8_hR39_166_ac_c_c2h:K-Mn-O, expected K3Mn2O14 to be K3Mn2O8" +mp-775539,K11Mn4O16,-5.91663571,-1.7872980014,0.0,-0.0242192735,GGA+U,I-42m,A11B4C16_tI62_121_acdei_i_2ij:K-Mn-O,31.0,"Invalid WP multiplicities - A11B4C16_tI62_121_a2c2d2e2i_i_6i3j:K-Mn-O, expected K21Mn4O48 to be K11Mn4O16" +mp-1211757,K4MnO4,-5.4175606881,-1.7075200297,0.0,-0.0414513347,GGA+U,P-1,A4BC4_aP18_2_4i_i_4i:K-Mn-O,36.0,A4BC4_aP18_2_4i_i_4i:K-Mn-O +mp-1200457,KMn6As7O24,-7.3754962997,-1.9171581786,0.0,-0.0077829327,GGA+U,P2_1/m,A7BC6D24_mP76_11_e3f_e_3f_2e11f:As-K-Mn-O,76.0,A7BC6D24_mP76_11_e3f_e_3f_2e11f:As-K-Mn-O +mp-1003764,K3Mn4O8,-7.2639951258,-1.9604772792,0.0,-0.0008309346,GGA+U,P1,A3B4C8_aP60_1_12a_16a_32a:K-Mn-O,60.0,A3B4C8_aP60_1_12a_16a_32a:K-Mn-O +mp-1184948,KMnO3,-6.504970762,-1.4824746874,0.2799126273,0.2799126273,GGA+U,Pm-3m,ABC3_cP5_221_a_b_c:K-Mn-O,5.0,ABC3_cP5_221_a_b_c:K-Mn-O +mp-1080221,KMn16O32,-8.0987365898,-1.8539063371,0.0010492771,0.0010492771,GGA+U,P4/m,AB16C32_tP49_83_a_jkl_2j2k2l:K-Mn-O,49.0,"Invalid WP multiplicities - AB16C32_tP49_83_a_3j4kl_7j6k2l:K-Mn-O, expected KMn36O68 to be KMn16O32" +mp-540914,K3MnO3,-5.626610745,-1.7218567069,0.0,-0.0492166579,GGA+U,P2_1/c,A3BC3_mP28_14_3e_e_3e:K-Mn-O,28.0,A3BC3_mP28_14_3e_e_3e:K-Mn-O +mp-771950,K2MnO4,-6.1729516621,-1.7201562291,0.0057388775,-0.0346125467,GGA+U,P2_1/c,A2BC4_mP28_14_2e_e_4e:K-Mn-O,28.0,"Invalid WP multiplicities - A2BC4_mP28_14_7e_e_15e:K-Mn-O, expected K7MnO15 to be K2MnO4" +mp-504636,K2MnO4,-6.1786905396,-1.7258951066,0.0,-0.0403514242,GGA+U,Pnma,A2BC4_oP28_62_2c_c_2cd:K-Mn-O,28.0,A2BC4_oP28_62_2c_c_2cd:K-Mn-O +mp-554900,KMnO2,-6.9933597273,-1.9519118119,0.0,-0.0594173776,GGA+U,P2_1/m,ABC2_mP48_11_2e2f_2e2f_2e5f:K-Mn-O,48.0,"Invalid WP multiplicities - ABC2_mP48_11_4e5f_4e8f_4e16f:K-Mn-O, expected K7Mn10O18 to be KMnO2" +mp-25544,KMnO2,-6.7517988112000005,-1.7103508959,0.241560916,0.1821435384,GGA+U,C2/m,ABC2_mC16_12_i_i_2i:K-Mn-O,8.0,"Invalid WP multiplicities - ABC2_mC16_12_i_i_3i:K-Mn-O, expected KMnO3 to be KMnO2" +mp-1002570,KMnO2,-6.9653306269,-1.9238827115,0.0280291004,-0.0313882772,GGA+U,C2/m,ABC2_mC8_12_a_d_i:K-Mn-O,16.0,ABC2_mC8_12_a_d_i:K-Mn-O +mp-25228,KMnO2,-6.65494279,-1.6134948746000002,0.3384169373,0.2789995597,GGA+U,C2/m,ABC2_mC16_12_i_i_2i:K-Mn-O,8.0,"Invalid WP multiplicities - ABC2_mC16_12_i_i_4i:K-Mn-O, expected KMnO4 to be KMnO2" +mp-1002574,KMnO2,-6.8997570819,-1.8583091665,0.0936026454,0.0341852678,GGA+U,Pnnm,ABC2_oP8_58_a_c_g:K-Mn-O,16.0,ABC2_oP8_58_a_c_g:K-Mn-O +mp-1016120,KMnO2,-6.9360474875,-1.8945995721,0.0573122398,-0.0021051378,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:K-Mn-O,16.0,ABC2_oP16_62_c_c_2c:K-Mn-O +mp-1003854,KMnO2,-6.8420504138,-1.8006024984,0.1513093135,0.0918919359,GGA+U,I-4m2,ABC2_tI32_119_i_i_2i:K-Mn-O,16.0,ABC2_tI32_119_i_i_2i:K-Mn-O +mp-1080205,KMnO2,-6.8410374812,-1.7995895659,0.152322246,0.0929048684,GGA+U,I4_1/amd,ABC2_tI32_141_c_d_h:K-Mn-O,16.0,ABC2_tI32_141_c_d_h:K-Mn-O +mp-689468,KMnO4,-6.4475310133,-1.4376694993,0.0309865963,0.0309865963,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:K-Mn-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_6c5d:K-Mn-O, expected KMnO16 to be KMnO4" +mp-19046,KMnO4,-6.4679343429,-1.4580728289,0.0105832667,0.0105832667,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:K-Mn-O,24.0,ABC4_oP24_62_c_c_2cd:K-Mn-O +mp-757832,KMn6O12,-7.9983015166,-1.9223670306,0.0,-0.0069746555,GGA+U,I4/m,AB6C12_tI76_87_e_hi_2h2i:K-Mn-O,38.0,"Invalid WP multiplicities - AB6C12_tI76_87_e_4h4i_7h11i:K-Mn-O, expected KMn24O58 to be KMn6O12" +mp-1226176,Co5Sn(BO5)2,-7.5229086908,-1.8353069417,0.2015941778,0.2015941778,GGA+U,Pmc2_1,A2B5C10D_oP36_26_2a_2a3b_6a4b_a:B-Co-O-Sn,36.0,"Invalid WP multiplicities - A2B5C10D_oP36_26_3a_2a4b_9a6b_a:B-Co-O-Sn, expected Co6Sn(BO5)3 to be Co5Sn(BO5)2" +mp-542739,Co21(SnB3)2,-6.9839860652,-0.1781182021,0.0032145017,0.0032145017,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:B-Co-Sn,29.0,A6B21C2_cF116_225_e_afh_c:B-Co-Sn +mp-615459,La2Ni5C3,-6.945893655,-0.3000242463,0.0,-0.0463234131,GGA,P4/mbm,A3B2C5_tP20_127_ag_h_bi:C-La-Ni,20.0,"Invalid WP multiplicities - A3B2C5_tP20_127_2a2g_h_bi:C-La-Ni, expected La2Ni5C6 to be La2Ni5C3" +mp-573282,La2Ni22C3,-6.2152444324000005,-0.114466001,0.0107383934,0.0107383934,GGA,Cmce,A3B2C22_oC216_64_fg_ef_ab5f8g:C-La-Ni,108.0,"Invalid WP multiplicities - A3B2C22_oC216_64_3f3g_3e2f_2a2b19f60g:C-La-Ni, expected La5(Ni47C3)3 to be La2Ni22C3" +mp-568083,LaNi2B2C,-6.9555787333,-0.4416238168,0.0,-0.0042922781,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-La-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-La-Ni +mp-1018048,LaNiC2,-7.54723146,-0.2538627675,0.0,-0.0317400089,GGA,Amm2,A2BC_oC8_38_d_b_a:C-La-Ni,4.0,A2BC_oC8_38_d_b_a:C-La-Ni +mp-562220,CoSb(CO)3,-7.4360070417,-0.7155843359,0.3726272147,0.3726272147,GGA+U,I4_1/amd,A3BC3D_tI128_141_hi_h_hi_h:C-Co-O-Sb,64.0,"Invalid WP multiplicities - A3BC3D_tI128_141_5h4i_h_5h4i_h:C-Co-O-Sb, expected CoSb(CO)13 to be CoSb(CO)3" +mp-754561,Ta2CrNO5,-10.0648912106,-2.6828310760000003,0.0658843278,0.0658843278,GGA+U,P1,ABC5D2_aP18_1_2a_2a_10a_4a:Cr-N-O-Ta,18.0,ABC5D2_aP18_1_2a_2a_10a_4a:Cr-N-O-Ta +mp-779348,Ta2CrNO5,-10.0618679553,-2.6798078207,0.0689075831,0.0689075831,GGA+U,P2_1,ABC5D2_mP18_4_a_a_5a_2a:Cr-N-O-Ta,36.0,ABC5D2_mP18_4_a_a_5a_2a:Cr-N-O-Ta +mp-755234,Ta2CrNO5,-10.0618722456,-2.679812111,0.0689032928,0.0689032928,GGA+U,Pc,ABC5D2_mP18_7_a_a_5a_2a:Cr-N-O-Ta,36.0,ABC5D2_mP18_7_a_a_5a_2a:Cr-N-O-Ta +mp-777569,Ta2CrNO5,-10.0565305472,-2.6744704126,0.0742449911,0.0742449911,GGA+U,Cm,ABC5D2_mC36_8_2a_2a_4a3b_4a:Cr-N-O-Ta,18.0,ABC5D2_mC36_8_2a_2a_4a3b_4a:Cr-N-O-Ta +mp-756204,Ta2CrNO5,-10.0589325536,-2.676872419,0.0718429847,0.0718429847,GGA+U,Cm,ABC5D2_mC36_8_2a_2a_4a3b_4a:Cr-N-O-Ta,36.0,"Invalid WP multiplicities - ABC5D2_mC36_8_4a_2a_4a3b_4a:Cr-N-O-Ta, expected Ta2Cr2NO5 to be Ta2CrNO5" +mp-755086,Ta2CrNO5,-10.0560837033,-2.6740235688,0.074691835,0.074691835,GGA+U,C2/m,ABC5D2_mC36_12_ad_i_g2ij_2i:Cr-N-O-Ta,18.0,ABC5D2_mC36_12_ad_i_g2ij_2i:Cr-N-O-Ta +mp-849504,Ta2CrNO5,-10.0681708286,-2.686110694,0.0626047097,0.0626047097,GGA+U,Pmn2_1,ABC5D2_oP18_31_a_a_a2b_b:Cr-N-O-Ta,36.0,ABC5D2_oP18_31_a_a_a2b_b:Cr-N-O-Ta +mp-754750,Ta2CrNO5,-10.0551399722,-2.6730798376,0.0756355661,0.0756355661,GGA+U,Amm2,ABC5D2_oC36_38_ab_c_2acef_2c:Cr-N-O-Ta,36.0,"Invalid WP multiplicities - ABC5D2_oC36_38_2ab_c_2acef_2c:Cr-N-O-Ta, expected Ta4Cr3(NO5)2 to be Ta2CrNO5" +mp-754795,Ta2CrNO5,-10.0652577111,-2.6831975765,0.0655178272,0.0655178272,GGA+U,Cmmm,ABC5D2_oC36_65_ac_g_jno_kl:Cr-N-O-Ta,36.0,"Invalid WP multiplicities - ABC5D2_oC36_65_2ac_g_jno_kl:Cr-N-O-Ta, expected Ta4Cr3(NO5)2 to be Ta2CrNO5" +mp-1193113,Ta3Cr3N,-10.9133919832,-0.5035390939000001,0.0,-0.0103221839,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Cr-N-Ta,28.0,A3BC3_cF112_227_ce_d_f:Cr-N-Ta +mp-1246837,Ta2CrN3,-10.5614592733,-0.8317780225,0.3004556906,0.3004556906,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-Ta,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-Ta +mp-1218060,Ta3Cr5N4,-10.5400782342,-0.7746990725,0.0281212606,0.0281212606,GGA,P4mm,A5B4C3_tP12_99_2a3b_2a2b_2ab:Cr-N-Ta,12.0,A5B4C3_tP12_99_2a3b_2a2b_2ab:Cr-N-Ta +mp-1196303,Cr2FeNO8,-7.204560676,-0.8973839456,0.6686568039,0.6686568039,GGA+U,P2_1,A2BCD8_mP48_4_4a_2a_2a_16a:Cr-Fe-N-O,48.0,"Invalid WP multiplicities - A2BCD8_mP48_14_2e_e_e_10e:Cr-Fe-N-O, expected Cr2FeNO10 to be Cr2FeNO8" +mp-1203682,Cr2FeNO8,-7.2003330233,-0.8931562929,0.6728844566000001,0.6728844566000001,GGA+U,P2_1/c,A2BCD8_mP48_14_2e_e_e_8e:Cr-Fe-N-O,48.0,A2BCD8_mP48_14_2e_e_e_8e:Cr-Fe-N-O +mp-818685,Cr2FeNO8,-7.2076374656,-0.9004607352,0.6655800144,0.6655800144,GGA+U,Pnma,A2BCD8_oP48_62_2c_c_c_4c2d:Cr-Fe-N-O,48.0,A2BCD8_oP48_62_2c_c_c_4c2d:Cr-Fe-N-O +mp-1245478,CrFe2N3,-8.7419378908,-0.14150878,0.2987613508,0.2987613508,GGA,C2/c,AB2C3_mC48_15_f_2f_2e2f:Cr-Fe-N,24.0,AB2C3_mC48_15_f_2f_2e2f:Cr-Fe-N +mp-1245504,CrFe2N3,-8.9257030475,-0.3252739367,0.1149961942,0.1149961942,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Fe-N,12.0,AB2C3_oC24_36_a_b_ab:Cr-Fe-N +mp-1246813,Cr8Fe3N8,-9.2394000684,-0.3274841321,0.2548625774,0.2548625774,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Cr-Fe-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Cr-Fe-N +mp-1245508,Cr2Fe9N8,-8.5860410821,-0.0477123858,0.2968785159,0.2968785159,GGA,C2/m,A2B9C8_mC38_12_i_a4i_4i:Cr-Fe-N,19.0,A2B9C8_mC38_12_i_a4i_4i:Cr-Fe-N +mp-1213831,Cr2FeNO10,-6.5918591443,-0.4790378452,0.8997938035,0.8997938035,GGA+U,C2/m,A2BCD10_mC28_12_i_a_c_3ij:Cr-Fe-N-O,14.0,A2BCD10_mC28_12_i_a_d_3ij:Cr-Fe-N-O +mp-1246113,Cr2Fe3N4,-8.8884928111,-0.2149218922,0.2324677697,0.2324677697,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Cr-Fe-N,18.0,A2B3C4_mC36_15_f_ef_2f:Cr-Fe-N +mp-1246664,Cr(FeN)3,-8.7788041871,-0.1970047764,0.1806285839,0.1806285839,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Cr-Fe-N,14.0,AB3C3_hP14_194_c_h_h:Cr-Fe-N +mp-1206130,CrFe3N,-8.570452476,0.109468729,0.386083416,0.386083416,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cr-Fe-N,5.0,AB3C_cP5_221_a_c_b:Cr-Fe-N +mp-1191064,Fe2NO8,-6.58391179,-0.6884529686,0.2932933682,0.2932933682,GGA+U,Pc,A2BC8_mP22_7_2a_a_8a:Fe-N-O,22.0,A2BC8_mP22_7_2a_a_8a:Fe-N-O +mp-1245864,CrFeN2,-8.9310737167,-0.2320590842,0.2710276933,0.2710276933,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cr-Fe-N,64.0,ABC2_oP64_61_2c_2c_4c:Cr-Fe-N +mp-1246373,CrFeN2,-8.9441888138,-0.2451741813,0.2579125962,0.2579125962,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cr-Fe-N,8.0,ABC2_hP8_194_c_a_f:Cr-Fe-N +mp-2227827,Lu2MgV2O8,-8.3523890715,-3.0921196162,0.1515219331,0.1515219331,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Lu-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Lu-Mg-O-V, expected Lu2MgV2O16 to be Lu2MgV2O8" +mp-1227081,CaThV2O8,-8.7641277417,-3.1673960783,0.0,-0.049722735,GGA+U,I-4m2,AB8CD2_tI24_119_a_2i_c_bd:Ca-O-Th-V,12.0,"Invalid WP multiplicities - AB8CD2_tI24_119_a_6i_c_bd:Ca-O-Th-V, expected CaThV2O24 to be CaThV2O8" +mp-2218436,Ce2MgV2O8,-8.5174644454,-3.0399428923,0.2310409505,0.2310409505,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Ce-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Ce-Mg-O-V, expected Ce2MgV2O16 to be Ce2MgV2O8" +mp-2227597,Ce2MgV2O8,-8.5978896523,-3.1203680992,0.1506157436,0.1506157436,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Ce-Mg-O-V,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Ce-Mg-O-V +mp-1099311,CeMg6V,-2.869120725,0.2082137156,0.2293539075,0.2293539075,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-V,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-V +mp-1099322,CeMg6V,-2.8743868125,0.2029476281,0.22408782,0.22408782,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-V,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-V +mp-1028401,CeMg14V,-2.2136554156,0.1251518297,0.1450229089,0.1450229089,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-V, expected CeMg18V to be CeMg14V" +mp-1028918,CeMg14V,-2.2018999356,0.1369073097,0.1567783889,0.1567783889,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-V, expected CeMg26V to be CeMg14V" +mp-1080799,CuNF3,-3.882089022,-0.2480613225,0.8397025345,0.8397025345,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-F-N,5.0,AB3C_cP5_221_b_c_a:Cu-F-N +mp-1103827,Cu(NF2)2,-3.5926230743,0.4671072671,1.2440814507,1.2440814507,GGA,Cmce,AB4C2_oC28_64_a_df_d:Cu-F-N,14.0,AB4C2_oC28_64_a_df_d:Cu-F-N +mp-1147760,La2Cu(NF)2,-7.1571196214,-2.2332383836,0.0499848998,0.0499848998,GGA,I4/mmm,AB2C2D2_tI14_139_a_d_e_c:Cu-F-La-N,7.0,AB2C2D2_tI14_139_a_d_e_c:Cu-F-La-N +mp-1147701,Cu3NF3,-4.6506173357,-0.8836813589,0.2817799164,0.2817799164,GGA,Pm-3m,A3B3C_cP7_221_d_c_a:Cu-F-N,7.0,A3B3C_cP7_221_d_c_a:Cu-F-N +mp-1112783,Cs2KGaI6,-2.77518232,-1.2982325386,0.1056007273,0.1056007273,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-K,10.0,A2BC6D_cF40_225_c_a_e_b:Cs-Ga-I-K +mp-1218709,Sr2NiO3F,-6.2978520929,-2.5963279946,0.0269202812,0.0269202812,GGA+U,I4mm,ABC3D2_tI14_107_a_a_ab_2a:F-Ni-O-Sr,7.0,ABC3D2_tI14_107_a_a_ab_2a:F-Ni-O-Sr +mp-1209209,Sb4NF13,-4.8098360117,-2.048628986,0.4864707963,0.4864707963,GGA,I4/m,A13BC4_tI36_87_ahi_b_h:F-N-Sb,18.0,A13BC4_tI36_87_ahi_b_h:F-N-Sb +mp-1227250,CoSb2(N2F3)3,-5.8048085322,-1.2165529471,0.5159936687,0.5159936687,GGA+U,P2_1,AB9C6D2_mP36_4_a_9a_6a_2a:Co-F-N-Sb,36.0,AB9C6D2_mP36_4_a_9a_6a_2a:Co-F-N-Sb +mp-1202907,Sb3NF10,-4.8458895348,-2.000297512,0.4912287096,0.4912287096,GGA,P2_1/c,A10BC3_mP56_14_10e_e_3e:F-N-Sb,56.0,A10BC3_mP56_14_10e_e_3e:F-N-Sb +mp-542148,Sb2N5F11,-5.6146715947,-1.6720746087,0.0634870219,0.0634870219,GGA,C2/c,A11B5C2_mC144_15_11f_5f_2f:F-N-Sb,72.0,A11B5C2_mC144_15_11f_5f_2f:F-N-Sb +mp-1245899,Co3SbN,-6.7660324925,-0.0079425825,0.1268281765,0.1268281765,GGA,Pnma,A3BC_oP20_62_cd_a_c:Co-N-Sb,20.0,A3BC_oP20_62_cd_a_c:Co-N-Sb +mp-1202415,SbNF4,-4.584890295,-1.2329882892,0.9839576902,0.9839576902,GGA,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-N-Sb,48.0,A4BC_mP48_14_8e_2e_2e:F-N-Sb +mp-1247385,Co2SbN3,-6.9256139154,0.3002396854,0.4150045821,0.4150045821,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Co-N-Sb,24.0,A2B3C_mC48_15_2f_2e2f_f:Co-N-Sb +mp-735020,SbN2F5,-4.3704593919,-0.5755361509,1.3559466159,1.3559466159,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:F-N-Sb,32.0,A5B2C_mP32_14_5e_2e_e:F-N-Sb +mp-721633,SbN2F5,-4.36653382,-0.5716105791,1.3598721878,1.3598721878,GGA,C2/c,A5B2C_mC32_15_e2f_2e_e:F-N-Sb,16.0,A5B2C_mC32_15_e2f_2e_e:F-N-Sb +mp-725219,SbN2F5,-4.3679567313,-0.5730334903000001,1.3584492766,1.3584492766,GGA,Cmcm,A5B2C_oC32_63_ch_2c_c:F-N-Sb,16.0,A5B2C_oC32_63_ch_2c_c:F-N-Sb +mp-760421,Zr6BI12,-5.2204054889,-1.2390375021,0.0,-0.0527900445,GGA,R-3,AB12C6_hR57_148_a_2f_f:B-I-Zr,19.0,"Invalid WP multiplicities - AB12C6_hR57_148_a_7f_f:B-I-Zr, expected Zr6BI42 to be Zr6BI12" +mp-1182499,B5I,-5.2454049979,0.5663158694,0.6519446583,0.6519446583,GGA,C2/c,A5B_mC48_15_5f_f:B-I,24.0,A5B_mC48_15_5f_f:B-I +mp-571410,CsZr6BI14,-4.9388926118,-1.325795938,0.0,-0.0251556413,GGA,Cmce,ABC14D6_oC88_64_a_b_def2g_fg:B-Cs-I-Zr,44.0,"Invalid WP multiplicities - ABC14D6_oC88_64_a_b_4d4e4f15g_3f3g:B-Cs-I-Zr, expected CsZr18BI84 to be CsZr6BI14" +mp-23189,BI3,-3.160202255,-0.3853295498,0.0,-0.3853295498,GGA,P6_3/m,AB3_hP8_176_c_h:B-I,8.0,AB3_hP8_176_c_h:B-I +mp-640353,Cs(BI)6,-4.4663081502,-0.6346196043,0.0,-0.1607803678,GGA,R-3,A6BC6_hR156_148_4f_2c_4f:B-Cs-I,52.0,"Invalid WP multiplicities - A6BC6_hR156_148_21f_4c_18f:B-Cs-I, expected Cs4(B7I6)9 to be Cs(BI)6" +mp-1223726,LaYCo10,-6.0508723408,0.8229323399,0.9164881367,0.9164881367,GGA,Pmm2,A10BC_oP12_25_ab4g_a_b:Co-La-Y,12.0,"Invalid WP multiplicities - A10BC_oP12_25_ab6g_a_b:Co-La-Y, expected LaYCo14 to be LaYCo10" +mp-1222814,LaYCo10,-6.9373527158,-0.0635480351,0.0300077617,0.0300077617,GGA,Pmmm,A10BC_oP12_47_ehijx_b_c:Co-La-Y,12.0,"Invalid WP multiplicities - A10BC_oP12_47_eh2ijx_b_c:Co-La-Y, expected LaYCo12 to be LaYCo10" +mp-1222740,LaY(Co4B)2,-7.0612465725,-0.2589295625,0.0125412576,0.0125412576,GGA,P6/mmm,A2B8CD_hP12_191_c_di_b_a:B-Co-La-Y,12.0,A2B8CD_hP12_191_c_di_b_a:B-Co-La-Y +mp-1204967,ScSe3(NO4)3,-5.5622860511,-0.2364990591,1.1140147128,1.1140147128,GGA,R3,A3B12CD3_hR114_146_2b_8b_2a_2b:N-O-Sc-Se,38.0,A3B12CD3_hR114_146_2b_8b_2a_2b:N-O-Sc-Se +mp-1110615,Na2TlVF6,-5.184052436,-2.6280050751,0.2824388213,0.2824388213,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Na-Tl-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-Na-Tl-V +mp-558533,Nd3U(ClO2)3,-8.1793226554,-3.5007384588,0.0144277385,0.0144277385,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-U,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-U +mp-1223209,Li2Pd(N2O5)2,-6.0716082897,-0.6709850923,0.4231088741,0.4231088741,GGA,Pna2_1,A2B4C10D_oP68_33_2a_4a_10a_a:Li-N-O-Pd,68.0,"Invalid WP multiplicities - A2B4C10D_oP68_33_6a_8a_26a_a:Li-N-O-Pd, expected Li6Pd(N4O13)2 to be Li2Pd(N2O5)2" +mp-1245582,LiPdN,-5.0921049,0.0496616339,0.4344211289,0.4344211289,GGA,P4/mmm,ABC_tP3_123_b_a_c:Li-N-Pd,3.0,ABC_tP3_123_b_a_c:Li-N-Pd +mp-1245584,LiPdN,-5.2150086933,-0.0732421594,0.3115173356,0.3115173356,GGA,P4/mmm,ABC_tP3_123_c_a_b:Li-N-Pd,3.0,ABC_tP3_123_c_a_b:Li-N-Pd +mp-1210252,Na4SrU3O12,-8.1486979555,-3.1379934959,0.0834501953,0.0834501953,GGA,Im-3m,A4B12CD3_cI40_229_c_de_a_b:Na-O-Sr-U,20.0,A4B12CD3_cI40_229_c_de_a_b:Na-O-Sr-U +mp-1204954,Cd12Ge17(B4O29)2,-6.6390732442,-2.1126602961,0.0007592856,0.0007592856,GGA,P-4,A8B12C17D58_tP95_81_2h_3h_a4h_g14h:B-Cd-Ge-O,95.0,A8B12C17D58_tP95_81_2h_3h_a4h_g14h:B-Cd-Ge-O +mp-1096804,AgH,-2.9917426275,0.1208983967,0.1208983967,0.1208983967,GGA,P6_3mc,AB_hP4_186_b_b:Ag-H,4.0,AB_hP4_186_b_b:Ag-H +mp-699468,CsAg(BH)10,-5.0024292228,-0.2547411986,0.0861464545,0.0861464545,GGA,Pbcm,AB10CD10_oP88_57_c_4d3e_d_4d3e:Ag-B-Cs-H,88.0,AB10CD10_oP88_57_c_4d3e_d_4d3e:Ag-B-Cs-H +mp-1111020,Cs2KSbF6,-4.749529691,-2.8996218174,0.02383418,0.02383418,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Sb +mp-1112270,CsK2SbF6,-4.629944021,-2.7585364899,0.1671486782,0.1671486782,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Sb +mp-1218588,Sr4U3ZnO12,-8.462723449,-3.4001128496,0.0941265645,0.0941265645,GGA,P-1,A12B4C3D_aP20_2_6i_2i_abe_h:O-Sr-U-Zn,20.0,"Invalid WP multiplicities - A12B4C3D_aP20_2_12i_4i_abe_h:O-Sr-U-Zn, expected Sr8U3ZnO24 to be Sr4U3ZnO12" +mp-554059,Sr2UZnO6,-7.758201224,-3.1971739446,0.054006263,0.054006263,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-U-Zn,20.0,"Invalid WP multiplicities - A6B2CD_mP20_14_11e_e_a_b:O-Sr-U-Zn, expected Sr2UZnO22 to be Sr2UZnO6" +mp-1207189,Y2Br2O,-5.56283895,-1.3657014304,1.2774594859,1.2774594859,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-O-Y,5.0,A2BC2_tP5_123_g_a_g:Br-O-Y +mp-1193032,YBr3O10,-4.7353166493,-0.407284991,0.4267794443,0.4267794443,GGA,P-1,A3B10C_aP28_2_3i_10i_i:Br-O-Y,28.0,A3B10C_aP28_2_3i_10i_i:Br-O-Y +mp-768906,YBrO,-7.6651128383,-3.3430501201,0.0033334433,-0.0574205233,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-O-Y,6.0,ABC_tP6_129_c_a_c:Br-O-Y +mp-754031,YBrO,-7.6684462817,-3.3463835635,0.0,-0.0607539667,GGA,R-3m,ABC_hR18_166_c_c_c:Br-O-Y,6.0,ABC_hR18_166_c_c_c:Br-O-Y +mp-560029,Y3BrO4,-8.8313606788,-3.7389611144,0.0,-0.0017651195,GGA,Cmcm,AB4C3_oC32_63_a_2cf_cf:Br-O-Y,16.0,"Invalid WP multiplicities - AB4C3_oC32_63_a_3c3f_cf:Br-O-Y, expected Y3BrO9 to be Y3BrO4" +mp-553243,YBi2BrO4,-6.8630230138,-2.4271189452,0.0,-0.0535853732,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Y,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Br-O-Y +mp-1178757,YBr3O8,-4.8383417923,-0.6134196428,0.3596555317,0.3596555317,GGA,P2_1/c,A3B8C_mP48_14_3e_8e_e:Br-O-Y,48.0,A3B8C_mP48_14_3e_8e_e:Br-O-Y +mp-1217754,Y(BrO6)3,-4.6754044407,-0.1224065813,0.4083616957,0.4083616957,GGA,P2_1,A3B18C_mP44_4_3a_18a_a:Br-O-Y,44.0,"Invalid WP multiplicities - A3B18C_mP44_4_6a_36a_a:Br-O-Y, expected Y(BrO6)6 to be Y(BrO6)3" +mp-1214008,Ca4NdB3O10,-7.9380128506,-3.3660345518,0.0,-0.0150426816,GGA,Cm,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-Nd-O,18.0,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-Nd-O +mp-1179407,SrU2Cr2O22,-6.964877888,-1.3202275153,0.5260777794,0.5260777794,GGA+U,P-1,A2B22CD2_aP54_2_2i_22i_i_2i:Cr-O-Sr-U,54.0,A2B22CD2_aP54_2_2i_22i_i_2i:Cr-O-Sr-U +mp-1205705,Sr2UCrO6,-8.674483924,-3.2741262586,0.0283277521,0.0283277521,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-U +mp-1227523,CeU2S5,-8.0900464472,-1.9402766335,0.0074717386,0.0074717386,GGA,Pna2_1,AB5C2_oP32_33_a_5a_2a:Ce-S-U,32.0,"Invalid WP multiplicities - AB5C2_oP32_33_a_10a_2a:Ce-S-U, expected Ce(US5)2 to be CeU2S5" +mp-1226520,CeTh2S3,-7.69906796,-2.1707087507,0.0010872092,0.0010872092,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Ce-S-Th,6.0,AB3C2_hP6_164_a_bd_d:Ce-S-Th +mp-1226812,Ce2ThS3,-7.5294562333,-2.2478918732,0.0,-0.01247753,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Ce-S-Th,6.0,A2B3C_hP6_164_d_ad_b:Ce-S-Th +mp-1201912,Ce2ThS5,-7.3312858138,-2.336000077,0.0,-0.0107554619,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ce-S-Th,32.0,A2B5C_oP32_62_d_3cd_c:Ce-S-Th +mp-1226483,CeThS2,-7.609445985,-2.2044842003,0.0053597162,0.0053597162,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ce-S-Th,4.0,AB2C_tP4_123_a_bc_d:Ce-S-Th +mp-676880,Ce10US16,-7.3178887696,-2.2510184204,0.0252577196,0.0252577196,GGA,P-4,A10B16C_tP27_81_g2h_4h_a:Ce-S-U,27.0,"Invalid WP multiplicities - A10B16C_tP27_81_2g4h_14h_a:Ce-S-U, expected Ce20US56 to be Ce10US16" +mp-1227587,CeThUS5,-7.7877907691,-2.1227149254,0.0353990202,0.0353990202,GGA,Pna2_1,AB5CD_oP32_33_a_5a_a_a:Ce-S-Th-U,32.0,"Invalid WP multiplicities - AB5CD_oP32_33_a_10a_a_a:Ce-S-Th-U, expected CeThUS10 to be CeThUS5" +mp-985558,Ce2US5,-7.6191025341,-2.1391228273,0.0,-0.0443177803,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:Ce-S-U,32.0,A2B5C_oP32_62_d_3cd_c:Ce-S-U +mp-1222297,LiTbS2,-5.7952186475000005,-2.0911714724,0.0,-0.0423113684,GGA,R-3m,AB2C_hR12_166_a_c_b:Li-S-Tb,4.0,AB2C_hR12_166_a_c_b:Li-S-Tb +mp-1210998,LiTb(SO4)2,-6.9364746717,-2.4039998058,0.1543130554,0.1543130554,GGA,P-4n2,AB8C2D_tP24_118_c_2i_f_d:Li-O-S-Tb,24.0,AB8C2D_tP24_118_c_2i_f_d:Li-O-S-Tb +mp-1190773,Y2Si3Rh,-7.0350393808,-0.9395053497,0.0,-0.0351729656,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Rh-Si-Y,24.0,AB3C2_hP24_194_f_k_bh:Rh-Si-Y +mp-1207724,Y2Si3Rh,-7.029062185,-0.9335281539,0.0059771958,-0.0291957697,GGA,P6_3/mmc,AB3C2_hP24_194_f_k_bh:Rh-Si-Y,24.0,AB3C2_hP24_194_f_k_bh:Rh-Si-Y +mp-19728,YSiRh,-7.4472641925,-1.0285651881,0.0,-0.0053783388,GGA,Pnma,ABC_oP12_62_c_c_c:Rh-Si-Y,12.0,ABC_oP12_62_c_c_c:Rh-Si-Y +mp-9882,Y2Si5Rh3,-7.1897387475,-0.9744931488,0.0,-0.037655706,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Rh-Si-Y,20.0,A3B5C2_mC40_15_ef_3ef_f:Rh-Si-Y +mp-31011,Y2Si2Rh,-7.206235864,-0.9766586327,0.0,-0.0106550435,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Rh-Si-Y,10.0,"Invalid WP multiplicities - AB2C2_mC20_12_i_4i_4i:Rh-Si-Y, expected Y4Si4Rh to be Y2Si2Rh" +mp-1216165,Y10Si6B,-6.7635496271,-0.6520195633,0.0441023301,0.0441023301,GGA,P-31m,AB6C10_hP17_162_a_k_cdk:B-Si-Y,17.0,AB6C10_hP17_162_a_k_cdk:B-Si-Y +mp-1102541,YSi2Rh3,-7.6296901392,-1.0613516753,0.0,-0.0634757672,GGA,Imma,A3B2C_oI24_74_ag_i_e:Rh-Si-Y,12.0,A3B2C_oI24_74_ag_i_e:Rh-Si-Y +mp-30028,YSi2Rh3,-7.5895533333,-1.0212148694,0.0401368058,-0.0233389614,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Rh-Si-Y,6.0,A3B2C_hP6_191_g_c_a:Rh-Si-Y +mp-16225,Y3Si3Rh,-7.0642076614,-0.9156826186,0.0152539557,0.0152539557,GGA,C2/m,AB3C3_mC28_12_i_3i_3i:Rh-Si-Y,14.0,AB3C3_mC28_12_i_3i_3i:Rh-Si-Y +mp-504772,Y3(SiRh)2,-7.3769234586,-0.9513998671,0.0,-0.010357,GGA,Pbcm,A2B2C3_oP28_57_e_cd_de:Rh-Si-Y,28.0,A2B2C3_oP28_57_e_cd_de:Rh-Si-Y +mp-3441,Y(SiRh)2,-7.532549142,-1.1234045593,0.0,-0.1004253361,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Rh-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Rh-Si-Y +mp-1207750,Y5(SiB4)2,-7.1179228963,-0.6767145101,0.0,-0.0375931097,GGA,P4/mbm,A8B2C5_tP30_127_egi_h_bk:B-Si-Y,30.0,A8B2C5_tP30_127_egi_h_bk:B-Si-Y +mp-1215922,YSiBRh3,-7.5805987883,-0.8032480343,0.0762318613,0.0762318613,GGA,P-6m2,AB3CD_hP6_187_a_k_c_e:B-Rh-Si-Y,6.0,AB3CD_hP6_187_a_k_c_e:B-Rh-Si-Y +mp-569280,Y4Si5Rh9,-7.6500902561,-1.0239099543,0.0069963286,0.0069963286,GGA,R-3m,A9B5C4_hR54_166_dh_a2c_2c:Rh-Si-Y,18.0,"Invalid WP multiplicities - A9B5C4_hR54_166_3d4h_a4c_3c:Rh-Si-Y, expected Y2Si3Rh11 to be Y4Si5Rh9" +mp-28352,YSiRh2,-7.6707848075,-1.0156835867,0.0,-0.0066689669,GGA,P6_3/mmc,A2BC_hP24_194_k_abc_df:Rh-Si-Y,24.0,"Invalid WP multiplicities - A2BC_hP24_194_k_2ab2c_2d2f:Rh-Si-Y, expected Y6Si5Rh6 to be YSiRh2" +mp-1105749,Y3Si3Rh2,-7.3038445256,-1.0033466294,0.0,-0.0072230384,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Rh-Si-Y,16.0,A2B3C3_oC32_63_f_cf_cf:Rh-Si-Y +mp-1223357,KRb(Fe2S3)2,-5.99641283,-0.9306030749,0.0018673237,0.0018673237,GGA,Amm2,A4BCD6_oC24_38_f_a_b_abde:Fe-K-Rb-S,12.0,"Invalid WP multiplicities - A4BCD6_oC24_38_f_a_b_abd2e:Fe-K-Rb-S, expected KRb(FeS2)4 to be KRb(Fe2S3)2" +mp-1217830,TaTlWO6,-8.8372516517,-2.5196201768,0.0,-0.0518987056,GGA+U,Ima2,A6BCD_oI36_46_2b2c_a_b_b:O-Ta-Tl-W,18.0,"Invalid WP multiplicities - A6BCD_oI36_46_4b8c_a_b_b:O-Ta-Tl-W, expected TaTlWO20 to be TaTlWO6" +mp-1022827,YMg6Zn,-2.1932118444,-0.0272249665,0.0983870558,0.0983870558,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Y-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Y-Zn, expected YMg12Zn to be YMg6Zn" +mp-1022875,YMg6Zn,-2.1900213413,-0.0240344633,0.101577559,0.101577559,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Y-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Y-Zn, expected YMg12Zn to be YMg6Zn" +mp-1207783,Y2Mg3Zn4,-2.7373539642,-0.2070476512,0.1069935151,0.1069935151,GGA,P6_3/mmc,A3B2C4_hP36_194_k_bh_fgh:Mg-Y-Zn,36.0,A3B2C4_hP36_194_k_bh_fgh:Mg-Y-Zn +mp-865515,YMgZn2,-2.996801075,-0.3502414792,0.0,-0.0425855117,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Y-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Y-Zn +mp-1037725,YMg30ZnO32,-6.3245063855,-2.9803086514,0.0659907526,0.0659907526,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Y-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Y-Zn, expected YMg110ZnO72 to be YMg30ZnO32" +mp-1037733,YMg30ZnO32,-6.3231992266,-2.9790014924,0.0672979116,0.0672979116,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Y-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Y-Zn, expected YMg90ZnO80 to be YMg30ZnO32" +mp-1032743,YMg6ZnO8,-6.32681156,-2.7704737654,0.2526029525,0.2526029525,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Y-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Y-Zn, expected YMg6ZnO12 to be YMg6ZnO8" +mp-1032756,YMg6ZnO8,-6.3548536994,-2.7985159048,0.2245608131,0.2245608131,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Y-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Y-Zn, expected YMg6ZnO12 to be YMg6ZnO8" +mp-6908,YMgZn,-3.4034488311,-0.29461724,0.0,-0.0241953678,GGA,P-62m,ABC_hP9_189_f_g_bc:Mg-Y-Zn,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_b2c:Mg-Y-Zn, expected Y3Mg3Zn5 to be YMgZn" +mp-1035991,YMg14ZnO16,-6.3210809959,-2.9061699083,0.1323886003,0.1323886003,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Y-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Y-Zn, expected YMg18ZnO20 to be YMg14ZnO16" +mp-1035986,YMg14ZnO16,-6.3261507916,-2.911239704,0.1273188047,0.1273188047,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Y-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Y-Zn, expected YMg30ZnO32 to be YMg14ZnO16" +mp-1028093,YMg14Zn,-1.8958432681,-0.0127098042,0.0622006528,0.0622006528,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Y-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Y-Zn, expected YMg18Zn to be YMg14Zn" +mp-1028081,YMg14Zn,-1.88966522,-0.006531756,0.0683787009,0.0683787009,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Y-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Y-Zn, expected YMg26Zn to be YMg14Zn" +mp-1097626,Y2MgZn,-1.7243844625,2.2238570092,2.4626377575,2.4626377575,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Mg-Y-Zn +mp-1216143,Y2(MgZn)3,-2.9623374862,-0.2732108354,0.0154462021,0.0154462021,GGA,R3m,A3B2C3_hR24_160_3a_2a_3a:Mg-Y-Zn,8.0,A3B2C3_hR24_160_3a_2a_3a:Mg-Y-Zn +mp-1200917,SmBiW2O9,-8.5555970767,-2.4790175286,0.0072229648,0.0072229648,GGA+U,Pnma,AB9CD2_oP52_62_c_3c3d_c_2c:Bi-O-Sm-W,52.0,AB9CD2_oP52_62_c_3c3d_c_2c:Bi-O-Sm-W +mp-567077,SmB2Rh2C,-7.5952387917,-0.5894636401000001,0.0,-0.0191002936,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Sm,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Sm +mp-1219166,Sm5B4Rh15,-7.3779012863,-0.6789381276,0.0218769213,0.0218769213,GGA,P4/mmm,A4B15C5_tP24_123_2g_ae2g2i_c2h:B-Rh-Sm,24.0,"Invalid WP multiplicities - A4B15C5_tP24_123_3g_a2e3g6i_c3h:B-Rh-Sm, expected Sm7B6Rh35 to be Sm5B4Rh15" +mp-7167,SmRh3C,-7.640704826,-0.4326697785,0.0,-0.0079860035,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Sm,5.0,AB3C_cP5_221_b_c_a:C-Rh-Sm +mp-978569,Sm(BRh)4,-7.3265473728,-0.5606157396,0.0,-0.0010307037,GGA,P4_2/nmc,A4B4C_tP18_137_g_g_a:B-Rh-Sm,18.0,A4B4C_tP18_137_g_g_a:B-Rh-Sm +mp-4982,SmBRh3,-7.432987418,-0.7348071148,0.0,-0.0565277807,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-Sm,5.0,AB3C_cP5_221_b_c_a:B-Rh-Sm +mp-1219077,SmB4Rh7,-7.2483386033,-0.332812911,0.1740228481,0.1740228481,GGA,Pmmm,A4B7C_oP12_47_ij_afgx_d:B-Rh-Sm,12.0,"Invalid WP multiplicities - A4B7C_oP12_47_2ij_cehx_b:B-Rh-Sm, expected SmB6Rh7 to be SmB4Rh7" +mp-2947,SmB2Rh3,-7.3706930417,-0.6756441606,0.0,-0.0166527904,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:B-Rh-Sm,6.0,A2B3C_hP6_191_c_g_a:B-Rh-Sm +mp-8758,SmRhC2,-7.9280418775,-0.29298563,0.0711630112,0.0711630112,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Rh-Sm,4.0,A2BC_oC8_38_d_a_b:C-Rh-Sm +mp-554421,KCu2AsS3,-4.4453913039,-0.677208405,0.0,-0.009447204,GGA,P-1,AB2CD3_aP28_2_2i_4i_2i_6i:As-Cu-K-S,28.0,"Invalid WP multiplicities - AB2CD3_aP28_2_4i_7i_3i_10i:As-Cu-K-S, expected K3Cu7(As2S5)2 to be KCu2AsS3" +mp-557728,KCu4AsS4,-4.4456079165,-0.5743935665000001,0.0018378898,0.0018378898,GGA,P2_1,AB4CD4_mP20_4_a_4a_a_4a:As-Cu-K-S,20.0,"Invalid WP multiplicities - AB4CD4_mP20_4_a_6a_a_8a:As-Cu-K-S, expected KCu6AsS8 to be KCu4AsS4" +mp-1042338,Zn2SbWO6,-6.584020985,-1.6553458892,0.2498197165,0.2498197165,GGA+U,P1,A6BCD2_aP10_1_6a_a_a_2a:O-Sb-W-Zn,10.0,A6BCD2_aP10_1_6a_a_a_2a:O-Sb-W-Zn +mp-1347039,Zn2SbWO6,-6.6511512605,-1.7224761647,0.182689441,0.182689441,GGA+U,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sb-W-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e6f_a_c_2e:O-Sb-W-Zn, expected Zn2SbWO16 to be Zn2SbWO6" +mp-1370607,Zn2SbWO6,-6.696023315,-1.7673482192,0.1378173865,0.1378173865,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Sb-W-Zn,20.0,A6BCD2_mP20_14_3e_a_d_e:O-Sb-W-Zn +mp-1202595,Ca5V3ClO12,-7.7213013174,-3.0313718505,0.0,-0.020393747,GGA+U,P6_3/m,A5BC12D3_hP42_176_fh_b_2hi_h:Ca-Cl-O-V,42.0,A5BC12D3_hP42_176_fh_b_2hi_h:Ca-Cl-O-V +mp-557276,Ca2VClO4,-7.3513420016,-3.0100423347,0.0,-0.0071547226,GGA+U,Pbcm,A2BC4D_oP32_57_cd_d_2e_c:Ca-Cl-O-V,32.0,"Invalid WP multiplicities - A2BC4D_oP32_57_2c2d_d_11e_c:Ca-Cl-O-V, expected Ca4VClO22 to be Ca2VClO4" +mp-6213,Na3Sc2V3O12,-7.9718391322,-2.8096142905,0.0,-0.0319776726,GGA+U,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Na-O-Sc-V,80.0,A3B12C2D3_cI160_230_c_h_a_d:Na-O-Sc-V +mp-1802603,CrWO6,-8.2216302638,-1.6852165178,0.1897608647,0.1897608647,GGA+U,Cm,AB6C_mC16_8_a_2a2b_a:Cr-O-W,8.0,AB6C_aP8_1_a_6a_a:Cr-O-W +mp-1405246,CrWO6,-8.1692935369,-1.6328797909,0.2420975916,0.2420975916,GGA+U,P2_1/c,AB6C_mP16_14_a_3e_d:Cr-O-W,16.0,AB6C_mP16_14_a_3e_b:Cr-O-W +mp-1386281,CrWO6,-8.2212084963,-1.6847947503,0.1901826322,0.1901826322,GGA+U,R3m,AB6C_hR24_160_a_2b_a:Cr-O-W,8.0,AB6C_mC16_8_a_2a2b_a:Cr-O-W +mp-773181,Cr3WO8,-8.9354557542,-2.1445572267,0.0971438683,0.0971438683,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Cr-O-W,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Cr-O-W, expected Cr3WO30 to be Cr3WO8" +mp-772321,Cr2(WO4)3,-9.0899765128,-2.1758147384,0.0764961194,0.0764961194,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Cr-O-W,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_2c3d:Cr-O-W, expected CrW4O21 to be Cr2(WO4)3" +mp-771713,Cr2(WO4)3,-9.0851952165,-2.1710334421,0.0812774157,0.0812774157,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Cr-O-W,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_21f_f:Cr-O-W, expected CrWO21 to be Cr2(WO4)3" +mp-1096575,AlCr2W,-5.2185110425,3.7839392075,3.8760145575,3.8760145575,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Cr-W,4.0,AB2C_oI8_71_a_e_b:Al-Cr-W +mp-1041713,AlCr(WO4)2,-8.8984732558,-2.3244404683,0.158263145,0.158263145,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Al-Cr-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Al-Cr-O-W +mp-1581389,AlCr(WO4)2,-9.0107165775,-2.43668379,0.0460198233,0.0460198233,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Al-Cr-O-W,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_14i_4i:Al-Cr-O-W, expected AlCr(W2O7)2 to be AlCr(WO4)2" +mp-1041805,AlCr(WO4)2,-9.0107704779,-2.4367376904,0.0459659229,0.0459659229,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Cr-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Cr-O-W +mp-19894,Cr2WO6,-9.1887914894,-2.3060851075,0.0,-0.0167501038,GGA+U,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Cr-O-W,18.0,A2B6C_tP18_136_e_fj_a:Cr-O-W +mp-1178444,Cr(WO4)3,-8.6913520594,-1.9483706409,0.0850254638,0.0850254638,GGA+U,P1,AB12C3_aP16_1_a_12a_3a:Cr-O-W,16.0,AB12C3_aP16_1_a_12a_3a:Cr-O-W +mp-608594,CrWO4,-9.2617602042,-2.1954381133,0.0864115575,0.0435043975,GGA+U,C2/m,AB4C_mC24_12_i_2ij_g:Cr-O-W,12.0,AB4C_mC24_12_i_2ij_g:Cr-O-W +mp-1181711,CrWO4,-9.2854559283,-2.2191338375,0.0627158333,0.0198086733,GGA+U,C2/m,AB4C_mC24_12_f_2ij_ab:Cr-O-W,12.0,AB4C_mC24_12_e_2ij_ab:Cr-O-W +mp-18785,CrWO4,-9.3481717617,-2.2818496708,0.0,-0.04290716,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Cr-O-W,6.0,AB4C_oC12_65_a_gj_c:Cr-O-W +mp-18405,CrWO4,-9.3153245667,-2.2490024758,0.032847195,-0.010059965,GGA+U,Fmmm,AB4C_oF96_69_ce_2gjmn_abd:Cr-O-W,24.0,"Invalid WP multiplicities - AB4C_oF96_69_2c2e_4g3j3m3n_ab2d:Cr-O-W, expected Cr4W3O22 to be CrWO4" +mp-1226283,CrWO3,-8.879733188,-1.3894844213,0.7269175708000001,0.7269175708000001,GGA+U,R3,AB3C_hR15_146_a_b_a:Cr-O-W,5.0,AB3C_hR15_146_a_b_a:Cr-O-W +mp-1042139,Cr(WO4)2,-8.8145447545,-1.9833795164,0.169362828,0.169362828,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Cr-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Cr-O-W, expected Cr(WO8)2 to be Cr(WO4)2" +mp-1041693,Cr(WO4)2,-8.8300465114,-1.9988812732,0.1538610711,0.1538610711,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Cr-O-W,22.0,AB8C2_mP22_13_e_4g_g:Cr-O-W +mp-1208069,TmBeNF6,-5.7867557022,-2.6733538113,0.3431924894,0.3431924894,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Tm,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-N-Tm +mp-1110911,K2YAgBr6,-3.959215641,-1.8754161419,0.039678289,0.039678289,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-Br-K-Y +mp-1110774,K2RbTaI6,-3.519430525,-1.1294997553,0.2131251667,0.2131251667,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Ta +mp-862288,AlFe2W,-8.6192400425,-0.2083029225,0.0,-0.0271345812,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-W,4.0,AB2C_cF16_225_a_c_b:Al-Fe-W +mp-1047560,AlFe(WO4)2,-8.7018634088,-2.2264161429,0.1271351112,0.1271351112,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Al-Fe-O-W,24.0,ABC8D2_aP12_1_a_a_8a_2a:Al-Fe-O-W +mp-1043216,AlFe(WO4)2,-8.7602199533,-2.2847726875,0.0687785667,0.0687785667,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Fe-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Fe-O-W +mp-1112199,K2InHgF6,-4.204230271,-2.5297266916,0.1468744547,0.1468744547,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-K,10.0,A6BCD2_cF40_225_e_a_b_c:F-Hg-In-K +mvc-5327,Ca2YAgO5,-6.7683773939,-2.5413029013,0.1880581574,0.1880581574,GGA,Cc,AB2C5D_mC36_9_a_2a_5a_a:Ag-Ca-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_mC36_9_a_3a_8a_a:Ag-Ca-O-Y, expected Ca3YAgO8 to be Ca2YAgO5" +mp-1367745,Ca2YAgO5,-6.7678514222,-2.5407769297,0.1885841291,0.1885841291,GGA,Ima2,AB2C5D_oI36_46_a_c_b2c_b:Ag-Ca-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_mC36_9_a_3a_8a_a:Ag-Ca-O-Y, expected Ca3YAgO8 to be Ca2YAgO5" +mp-1096336,CaYAg2,-1.9445534575,1.5897422925,1.923269415,1.923269415,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Ca-Y,4.0,A2BC_oI8_71_e_a_b:Ag-Ca-Y +mp-1233425,CaY4(AgO3)4,-6.9117429429,-2.2183156628,0.2069240135,0.2069240135,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Ag-Ca-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Ag-Ca-O-Y, expected CaY4(AgO3)6 to be CaY4(AgO3)4" +mp-1210545,NdV2O2,-7.493623854,-0.927756455,1.4069510157,1.4069510157,GGA+U,I4_1/amd,AB2C2_tI40_141_c_h_h:Nd-O-V,20.0,AB2C2_tI40_141_c_h_h:Nd-O-V +mp-772562,Nd2V2O7,-8.8011547718,-3.1347067733,0.0621936207,0.0621936207,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Nd-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Nd-O-V, expected NdVO10 to be Nd2V2O7" +mp-541129,NdVO3,-8.9602356215,-3.2218116943,0.0,-0.0630008006,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Nd-O-V,20.0,AB3C_oP20_62_c_cd_a:Nd-O-V +mp-19253,NdVO3,-8.737238134,-2.9988142068,0.2229974875,0.1599966869,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Nd-O-V,5.0,AB3C_cP5_221_a_c_b:Nd-O-V +mp-16891,Nd4V5(Si2O11)2,-8.7793656391,-3.2073501006,0.0052579793,0.0052579793,GGA+U,C2/m,A4B22C4D5_mC70_12_2i_5i3j_2i_abce:Nd-O-Si-V,35.0,"Invalid WP multiplicities - A4B22C4D5_mC70_12_2i_5i4j_2i_abcf:Nd-O-Si-V, expected Nd4V5(Si2O13)2 to be Nd4V5(Si2O11)2" +mp-18812,NdVO4,-8.782609035,-3.1761409771,0.0,-0.264385329,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Nd-O-V,12.0,AB4C_tI24_141_a_h_b:Nd-O-V +mp-1211226,Li3Y3(TeO6)2,-7.2968648371,-2.7582119240000003,0.0,-0.0261332564,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Y,80.0,A3B12C2D3_cI160_230_d_h_a_c:Li-O-Te-Y +mp-1246670,AlCoN2,-7.3936422144,-0.5119213456,0.3172185269,0.3172185269,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Co-N,16.0,ABC2_oP16_33_a_a_2a:Al-Co-N +mp-1245486,AlCoN2,-7.4218289363,-0.5401080675000001,0.289031805,0.289031805,GGA,I-42d,ABC2_tI16_122_a_b_d:Al-Co-N,8.0,ABC2_tI16_122_a_b_d:Al-Co-N +mp-1203164,AlCoNF6,-5.4145215214,-2.0079368153,0.6717758172,0.6717758172,GGA+U,Pnma,ABC6D_oP36_62_a_c_2c2d_c:Al-Co-F-N,36.0,ABC6D_oP36_62_a_c_2c2d_c:Al-Co-F-N +mp-1229178,AlCoNF6,-5.4858687533,-2.0792840472,0.6004285853,0.6004285853,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_e:Al-Co-F-N,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_e:Al-Co-F-N, expected AlCoNF12 to be AlCoNF6" +mp-1246714,Al2CoN3,-7.41942933,-0.8179369583,0.2629552917,0.2629552917,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Al-Co-N,12.0,A2BC3_oC24_36_b_a_ab:Al-Co-N +mp-572551,Cs2U(Br2O)2,-5.7619188678,-2.5188404793,0.0,-0.0813906675,GGA,P2_1/c,A4B2C2D_mP18_14_2e_e_e_a:Br-Cs-O-U,18.0,"Invalid WP multiplicities - A4B2C2D_mP18_14_6e_e_e_a:Br-Cs-O-U, expected Cs2U(Br6O)2 to be Cs2U(Br2O)2" +mp-1211560,KRbGeO3,-5.6900658727,-2.097728038,0.0,-0.0314099954,GGA,Pnma,ABC3D_oP48_62_2c_2c_4cd_2c:Ge-K-O-Rb,48.0,ABC3D_oP48_62_2c_2c_4cd_2c:Ge-K-O-Rb +mp-1104201,ZnGe(OF)6,-4.0325243086,-0.6731116273000001,0.8453699384000001,0.8453699384000001,GGA,R-3,A6BC6D_hR42_148_f_a_f_b:F-Ge-O-Zn,14.0,A6BC6D_hR42_148_f_a_f_b:F-Ge-O-Zn +mp-1219990,RbNd(PO3)4,-7.7445329299,-2.9244131484,0.0,-0.0214495982,GGA,Cc,AB12C4D_mC216_9_3a_36a_12a_3a:Nd-O-P-Rb,108.0,"Invalid WP multiplicities - AB12C4D_mC216_9_4a_72a_24a_6a:Nd-O-P-Rb, expected Rb3Nd2(PO3)12 to be RbNd(PO3)4" +mp-540611,RbNd(PO3)4,-7.73764533,-2.9175255485,0.0068875999,-0.0145619983,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Nd-O-P-Rb,72.0,AB12C4D_mP72_14_e_12e_4e_e:Nd-O-P-Rb +mp-17661,RbNd(PO3)4,-7.7375616792,-2.9174418977,0.0069712507,-0.0144783474,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Nd-O-P-Rb,36.0,AB12C4D_mC72_15_e_6f_2f_e:Nd-O-P-Rb +mp-1179910,PrSe2NO13,-5.7154105693,-0.7497531056000001,0.4599757869,0.4599757869,GGA,Pccn,AB13CD2_oP68_56_d_c6e_c_e:N-O-Pr-Se,68.0,AB13CD2_oP68_56_d_c6e_c_e:N-O-Pr-Se +mp-1196750,PrSe2NO13,-5.0316550051,-0.0659975415,1.143731351,1.143731351,GGA,Pccn,AB13CD2_oP68_56_d_c6e_c_e:N-O-Pr-Se,68.0,AB13CD2_oP68_56_d_c6e_c_e:N-O-Pr-Se +mp-1219875,Pr3Se2NO,-7.3689791657,-2.4235900433,0.0229370854,0.0229370854,GGA,Cm,ABC3D2_mC42_8_3a_3a_9a_6a:N-O-Pr-Se,,ABC3D2_mC42_8_3a_3a_9a_6a:N-O-Pr-Se +mp-1217779,Ta2BiO6F,-8.8808235225,-2.96605796,0.0497197606,0.0497197606,GGA,Imma,ABC6D2_oI40_74_a_e_2ej_bc:Bi-F-O-Ta,20.0,"Invalid WP multiplicities - ABC6D2_oI40_74_a_e_4e2j_bc:Bi-F-O-Ta, expected Ta2BiO12F to be Ta2BiO6F" +mp-1195626,SrCdB2O5,-7.2578395006,-2.7351050215,0.0,-0.0017104192,GGA,C2/c,A2BC5D_mC72_15_2f_f_5f_2e:B-Cd-O-Sr,36.0,A2BC5D_mC72_15_2f_f_5f_2e:B-Cd-O-Sr +mp-1200882,SrCdB2O5,-7.257708999,-2.73497452,0.0001305015,-0.0015799176,GGA,Pbca,A2BC5D_oP72_61_2c_c_5c_c:B-Cd-O-Sr,72.0,A2BC5D_oP72_61_2c_c_5c_c:B-Cd-O-Sr +mp-1209988,Ni21(GeB3)2,-6.1685340403,-0.2821451916,0.0,-0.0034596409,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Ge-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Ge-Ni +mp-22703,Ni8Ge2B3,-6.1290897558,-0.3194494125,0.0,-0.0218442735,GGA,Pmmn,A3B2C8_oP26_59_ae_e_ab3e:B-Ge-Ni,26.0,"Invalid WP multiplicities - A3B2C8_oP26_59_ae_e_2a2b6e:B-Ge-Ni, expected Ni16Ge2B3 to be Ni8Ge2B3" +mp-1078540,Ni6Ge2B,-5.9330476633,-0.3101290455,0.0,-0.0028250145,GGA,P-62m,AB2C6_hP9_189_a_d_fg:B-Ge-Ni,9.0,AB2C6_hP9_189_a_d_fg:B-Ge-Ni +mp-1220232,Ni5Ge(BO5)2,-7.1522819081,-1.7995384687,0.0556961889,0.0556961889,GGA+U,Pmc2_1,A2BC5D10_oP36_26_2a_a_2a3b_6a4b:B-Ge-Ni-O,36.0,"Invalid WP multiplicities - A2BC5D10_oP36_26_3a_a_2a4b_9a6b:B-Ge-Ni-O, expected Ni6Ge(BO5)3 to be Ni5Ge(BO5)2" +mp-1220773,Ni43(GeB4)3,-6.1672705462,-0.2609315453,0.0114724169,0.0114724169,GGA,R3m,A12B3C43_hR174_160_4b_3a_7a8b2c:B-Ge-Ni,58.0,"Invalid WP multiplicities - A12B3C43_hR174_160_12b_3a_7a24b10c:B-Ge-Ni, expected Ni139(GeB12)3 to be Ni43(GeB4)3" +mp-1194536,GaNi9B8,-6.2801747347,-0.2532602731,0.0114869979,0.0114869979,GGA,Cmcm,A8BC9_oC72_63_2cfh_c_afgh:B-Ga-Ni,36.0,A8BC9_oC72_63_2cfh_c_afgh:B-Ga-Ni +mp-1193255,Ga2(Ni7B2)3,-6.0802081138,-0.3038145638,0.0,-0.0091834748,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Ga-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Ga-Ni +mp-1213377,Ga(Ni3B2)4,-6.2823819035,-0.2907214107,0.0051471552,0.0051471552,GGA,Cmce,A8BC12_oC252_64_d5f3g_af_e3f7g:B-Ga-Ni,126.0,A8BC12_oC252_64_d5f3g_af_e3f7g:B-Ga-Ni +mp-977324,Ga3(Ni10B3)2,-6.0120548221,-0.3305592258,0.0,-0.0149636786,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Ga-Ni,29.0,A6B3C20_cF116_225_e_ac_fh:B-Ga-Ni +mp-1204832,Ga3Ni27B14,-6.198632863,-0.3200086989,0.0,-0.0135002259,GGA,P2_1/m,A14B3C27_mP88_11_4e5f_3e_5e11f:B-Ga-Ni,88.0,A14B3C27_mP88_11_4e5f_3e_5e11f:B-Ga-Ni +mp-505076,GaNi2BO5,-7.1174114739,-2.0061665062,0.0,-0.0155596692,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:B-Ga-Ni-O,36.0,ABC2D5_oP36_55_g_g_adh_3g2h:B-Ga-Ni-O +mp-680676,K2Dy4Cu4S9,-5.5688647516,-1.6597689234000002,0.0001028037,-0.0266520513,GGA,C2,A4B4C2D9_mC38_5_2c_2c_c_a4c:Cu-Dy-K-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_2i_2i_i_a6i:Cu-Dy-K-S, expected K2Dy4Cu4S13 to be K2Dy4Cu4S9" +mp-1370955,K2Dy4Cu4S9,-5.5651141874,-1.6560183592,0.0038533679,-0.0229014871,GGA,Cm,A4B4C2D9_mC38_8_4a_4a_2a_9a:Cu-Dy-K-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_2i_2i_i_a6i:Cu-Dy-K-S, expected K2Dy4Cu4S13 to be K2Dy4Cu4S9" +mp-1105938,K2Dy4Cu4S9,-5.5689675553,-1.6598717271,0.0,-0.026754855,GGA,C2/m,A4B4C2D9_mC38_12_2i_2i_i_a4i:Cu-Dy-K-S,19.0,"Invalid WP multiplicities - A4B4C2D9_mC38_12_2i_2i_i_a6i:Cu-Dy-K-S, expected K2Dy4Cu4S13 to be K2Dy4Cu4S9" +mp-1223460,KSnAuS3,-4.3220367567,-0.8548363562,0.0014691483,0.0014691483,GGA,P4cc,ABC3D_tP48_103_d_2a2b_3d_2c:Au-K-S-Sn,48.0,ABC3D_tP48_103_d_2a2b_3d_2c:Au-K-S-Sn +mp-557121,K2Sn(AuS2)2,-4.1632618489,-0.9050470471,0.0,-0.0213744922,GGA,P-1,A2B2C4D_aP18_2_2i_2i_4i_i:Au-K-S-Sn,18.0,"Invalid WP multiplicities - A2B2C4D_aP18_2_4i_2i_8i_i:Au-K-S-Sn, expected K2Sn(AuS2)4 to be K2Sn(AuS2)2" +mp-12011,KTbGeS4,-5.38495665,-1.5401577401000002,0.0,-0.0196865996,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:Ge-K-S-Tb,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_7a_a:Ge-K-S-Tb, expected KTbGeS7 to be KTbGeS4" +mp-999129,KTbS2,-5.6352709575,-2.1308547623,0.0,-0.1874001109,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Tb,4.0,AB2C_hR12_166_a_c_b:K-S-Tb +mp-1226321,Cu5Sn(BO5)2,-6.4510002974,-1.5992627496,0.0633352056,0.0633352056,GGA,P2_1/c,A2B5C10D_mP72_14_2e_ab4e_10e_e:B-Cu-O-Sn,72.0,A2B5C10D_mP72_14_2e_ab4e_10e_e:B-Cu-O-Sn +mp-580731,Eu(Ni2B)6,-6.6629985221,-0.3632620703,0.0,-0.0575709005,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Eu-Ni,19.0,"Invalid WP multiplicities - A6BC12_hR57_166_h_a_3g4h:B-Eu-Ni, expected Eu(Ni7B)6 to be Eu(Ni2B)6" +mp-1079886,Eu(BC)2,-8.64197655,-0.2273532847,0.025275967,0.025275967,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Eu,10.0,A2B2C_tP10_131_j_l_f:B-C-Eu +mp-1103796,EuNi4B,-6.9885777283,-0.3124210132,0.0,-0.0684582629,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Eu-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Eu-Ni +mp-21064,EuNi2B2C,-7.763055855,-0.3622684893,0.0,-0.0544794267,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Eu-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Eu-Ni +mp-1225962,Eu3Ni7B2,-7.2840927508,-0.2348639424,0.0500835361,0.0500835361,GGA,P-6m2,A2B3C7_hP12_187_ac_bef_dn:B-Eu-Ni,12.0,A2B3C7_hP12_187_ac_bef_dn:B-Eu-Ni +mp-1217736,Tb2Fe17CN,-8.2619723376,-0.1274840906,0.0809927344,0.0809927344,GGA,P-1,AB17CD2_aP21_2_e_bch7i_a_i:C-Fe-N-Tb,21.0,"Invalid WP multiplicities - AB17CD2_aP21_2_e_bch13i_a_i:C-Fe-N-Tb, expected Tb2Fe29CN to be Tb2Fe17CN" +mp-1209558,RbEu(WO4)2,-8.8735025408,-2.4795603723,0.0,-0.0048013684,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Eu-O-Rb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Eu-O-Rb-W +mp-1208330,TbSI,-5.19244647,-1.7777190310000002,0.2978724625,0.2978724625,GGA,P-6m2,ABC_hP3_187_b_c_e:I-S-Tb,3.0,ABC_hP3_187_b_c_e:I-S-Tb +mp-560853,Tb3Si2S8I,-5.9508050679,-1.7137550932,0.0155841151,0.0155841151,GGA,C2/c,AB8C2D3_mC56_15_e_4f_f_ef:I-S-Si-Tb,28.0,"Invalid WP multiplicities - AB8C2D3_mC56_15_e_13f_f_2e2f:I-S-Si-Tb, expected Tb6Si2S26I to be Tb3Si2S8I" +mp-558967,K3Ta2S11,-5.7315788744,-1.1973475846,0.0,-0.0012216061,GGA,P2_1/c,A3B11C2_mP64_14_3e_11e_2e:K-S-Ta,64.0,"Invalid WP multiplicities - A3B11C2_mP64_14_7e_42e_6e:K-S-Ta, expected K7(TaS7)6 to be K3Ta2S11" +mp-680400,K3Ta2S11,-5.7303513667,-1.1961200769,0.0012275077,5.9016e-06,GGA,C2/c,A3B11C2_mC128_15_3f_11f_2f:K-S-Ta,64.0,"Invalid WP multiplicities - A3B11C2_mC128_15_10f_41f_6f:K-S-Ta, expected K10Ta6S41 to be K3Ta2S11" +mp-18664,K4Ta2S11,-5.5960420665,-1.2632126792,0.0,-0.0070549019,GGA,P-1,A4B11C2_aP34_2_4i_11i_2i:K-S-Ta,34.0,"Invalid WP multiplicities - A4B11C2_aP34_2_6i_15i_2i:K-S-Ta, expected K6Ta2S15 to be K4Ta2S11" +mp-4361,K4Ta2S11,-5.5832709187,-1.2504415314,0.0127711478,0.0057162459,GGA,Pca2_1,A4B11C2_oP68_29_4a_11a_2a:K-S-Ta,68.0,"Invalid WP multiplicities - A4B11C2_oP68_29_6a_16a_2a:K-S-Ta, expected K3TaS8 to be K4Ta2S11" +mp-1223710,K2(TaS2)3,-7.1854184418,-1.4933429886,0.0,-0.0812130385,GGA,R32,A2B6C3_hR66_155_2c_2f_ace:K-S-Ta,22.0,"Invalid WP multiplicities - A2B6C3_hR66_155_3c_2f_ace:K-S-Ta, expected KTaS2 to be K2(TaS2)3" +mp-31308,KTaS5,-5.9775811911000005,-1.1703774894,0.0,-0.0219569364,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:K-S-Ta,56.0,AB5C_mP56_14_2e_10e_2e:K-S-Ta +mp-18148,K3TaS4,-5.4894125028000005,-1.5225657605,0.0,-0.1922132659,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:K-S-Ta,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_2c2d_2cd_c:K-S-Ta, expected K6TaS4 to be K3TaS4" +mp-1211748,K3Ta2AsS11,-5.6973381944,-1.1557606037,0.0,-0.0114817664,GGA,Cc,AB3C11D2_mC68_9_a_3a_11a_2a:As-K-S-Ta,34.0,AB3C11D2_mC68_9_a_3a_11a_2a:As-K-S-Ta +mp-1228095,Ba3Mo2(NO3)2,-7.8415884938,-2.1645617894,0.0266904005,0.0266904005,GGA+U,R-3m,A3B2C2D6_hR39_166_ac_c_c_h:Ba-Mo-N-O,13.0,A3B2C2D6_hR39_166_ac_c_c_h:Ba-Mo-N-O +mp-616249,BiOs2(CO)6,-8.3014829205,-0.8783263063000001,0.2206816452,0.2206816452,GGA,C2/c,AB6C6D2_mC120_15_f_6f_6f_2f:Bi-C-O-Os,60.0,"Invalid WP multiplicities - AB6C6D2_mC120_15_f_19f_19f_5f:Bi-C-O-Os, expected BiOs5(CO)19 to be BiOs2(CO)6" +mp-1201467,BiOs3(CO)9,-8.2973946789,-0.7928138037,0.3186256038,0.3186256038,GGA,P-1,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Os,44.0,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Os +mp-1237295,BiOs3(CO)9,-8.300130092,-0.7955492169,0.3158901907,0.3158901907,GGA,P-1,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Os,44.0,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Os +mp-554545,Bi2Os2O7,-7.3840528695,-1.4965497697,0.0,-0.0077281595,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Bi-O-Os,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Bi-O-Os, expected BiOsO10 to be Bi2Os2O7" +mp-15603,HoB2C,-7.3335191056,-0.5410546296000001,0.0,-0.0192035277,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Ho,32.0,A2BC_tP32_135_2h_h_g:B-C-Ho +mp-6646,HoNi2B2C,-6.9739409583,-0.5189190810000001,0.1299117536,0.1299117536,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ho-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ho-Ni +mp-1025183,Ho2B4C,-7.0222051057,-0.5777693463,0.0,-0.0146533782,GGA,Immm,A4BC2_oI14_71_ef_a_h:B-C-Ho,7.0,A4BC2_oI14_71_ef_a_h:B-C-Ho +mp-20410,Ho(BC)2,-7.723270239,-0.4435655597,0.0,-0.010721856,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Ho,10.0,A2B2C_tP10_127_g_g_b:B-C-Ho +mp-1084797,Ho(BC)2,-7.57716907,-0.2974643907,0.146101169,0.135379313,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Ho,10.0,A2B2C_tP10_131_j_l_f:B-C-Ho +mp-5154,HoNiC2,-7.54502635,-0.3400572162,0.0,-0.0593491314,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Ho-Ni,4.0,A2BC_oC8_38_d_b_a:C-Ho-Ni +mp-1205259,Ho2Ni22C3,-6.2027873311,-0.1282013616,0.0198359947,0.0198359947,GGA,Cmce,A3B2C22_oC216_64_fg_ef_ab5f8g:C-Ho-Ni,108.0,A3B2C22_oC216_64_fg_ef_ab5f8g:C-Ho-Ni +mp-1204867,Ho11(Ni10C)6,-6.1577001612,-0.2799509232,0.0055496925,0.0055496925,GGA,Im-3m,A6B11C60_cI154_229_e_bf_dejk:C-Ho-Ni,77.0,A6B11C60_cI154_229_e_bf_dejk:C-Ho-Ni +mp-1025084,HoBC,-6.8712440917,-0.0410887139,0.4340074092,0.4340074092,GGA,Cmmm,ABC_oC12_65_g_g_h:B-C-Ho,6.0,ABC_oC12_65_g_g_h:B-C-Ho +mp-863728,Ho4Ni13C4,-6.5584510286,-0.3495903481,0.0,-0.0146759687,GGA,Cmmm,A4B4C13_oC42_65_eg_hj_afj2p:C-Ho-Ni,21.0,A4B4C13_oC42_65_eg_hj_afj2p:C-Ho-Ni +mp-1203568,TiP2(S4Cl)2,-5.2296565173,-0.9595973415,0.0,-0.0147037338,GGA,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cl-P-S-Ti,52.0,A2B2C8D_mP52_14_2e_2e_8e_e:Cl-P-S-Ti +mp-1245850,Mn3CrN3,-9.2950750586,-0.4167067555,0.0905523518,0.0905523518,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Cr-Mn-N,14.0,AB3C3_hP14_194_c_h_h:Cr-Mn-N +mp-1246797,Mn2CrN3,-9.2776357617,-0.4465419568,0.10275394,0.10275394,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Mn-N,12.0,AB2C3_oC24_36_a_b_ab:Cr-Mn-N +mp-1245441,MnCrN2,-9.3114739756,-0.4394608226,0.1453952794,0.1453952794,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cr-Mn-N,16.0,ABC2_oP16_33_a_a_2a:Cr-Mn-N +mp-1245401,MnCrN2,-9.20258098,-0.330567827,0.254288275,0.254288275,GGA,R3m,ABC2_hR12_160_a_a_2a:Cr-Mn-N,4.0,ABC2_hR12_160_a_a_2a:Cr-Mn-N +mp-1246722,Mn3Cr8N9,-9.3832695706,-0.3963255726,0.2179891524,0.2179891524,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Cr-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Cr-Mn-N +mp-1246030,Mn10CrN9,-9.0937810047,-0.278698269,0.198499629,0.198499629,GGA,P2_1/c,AB10C9_mP80_14_e_10e_9e:Cr-Mn-N,80.0,AB10C9_mP80_14_e_10e_9e:Cr-Mn-N +mp-1246904,Mn3(CrN2)2,-9.2967608283,-0.3925252154,0.1556844719,0.1556844719,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Cr-Mn-N,18.0,A2B3C4_mC36_15_f_ef_2f:Cr-Mn-N +mp-1212202,Mn2Cr3(NO6)2,-7.4423575329,-0.9520192498,0.7800994256,0.7800994256,GGA+U,P2_13,A3B2C2D12_cP76_198_b_2a_2a_4b:Cr-Mn-N-O,76.0,A3B2C2D12_cP76_198_b_2a_2a_4b:Cr-Mn-N-O +mp-1217905,TaNbV,-10.3017938833,0.04586903,0.0980081633,0.0980081633,GGA,Fmm2,ABC_oF12_42_a_a_a:Nb-Ta-V,3.0,ABC_oF12_42_a_a_a:Nb-Ta-V +mp-1218100,Ta3NbV4O20,-9.3096727396,-2.8473857241,0.0002339221,0.0002339221,GGA+U,Pm,AB20C3D4_mP28_6_a_4a4b6c_a2b_2a2b:Nb-O-Ta-V,28.0,"Invalid WP multiplicities - AB20C3D4_mP28_6_a_4a4b12c_a2b_2a2b:Nb-O-Ta-V, expected Ta3NbV4O32 to be Ta3NbV4O20" +mp-1217943,TaNb3V4O20,-9.0965916561,-2.7597669684,0.0003682769,0.0003682769,GGA+U,Pm,A3B20CD4_mP28_6_a2b_4a4b6c_a_2a2b:Nb-O-Ta-V,28.0,"Invalid WP multiplicities - A3B20CD4_mP28_6_a2b_4a4b12c_a_2a2b:Nb-O-Ta-V, expected TaNb3V4O32 to be TaNb3V4O20" +mp-560352,SrP2(XeF6)3,-4.280948269,-2.3213131693,0.0,-0.0374289852,GGA,C2/m,A18B2CD3_mC96_12_6i6j_ei_i_abj:F-P-Sr-Xe,48.0,"Invalid WP multiplicities - A18B2CD3_mC96_12_12i23j_fi_i_ab2j:F-P-Sr-Xe, expected SrP2Xe5F58 to be SrP2(XeF6)3" +mp-1111197,K2TlGaI6,-2.707245957,-1.0620724407,0.1577941183,0.1577941183,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ga-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Ga-I-K-Tl +mp-1110946,K2CuBiI6,-2.885223041,-0.9851538616,0.097547666,0.097547666,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-I-K +mp-1220351,NbVB4,-8.35562052,-0.7051574878,0.0111922133,0.0111922133,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Nb-V,6.0,A4BC_hP6_191_h_a_b:B-Nb-V +mp-1220611,Nb3V5(B2Ir)4,-8.913964161500001,-0.6883483437,0.0730363881,0.0730363881,GGA,Pm,A8B4C3D5_mP20_6_4a4b_2a2b_2ab_2a3b:B-Ir-Nb-V,20.0,A8B4C3D5_mP20_6_4a4b_2a2b_2ab_2a3b:B-Ir-Nb-V +mp-1220586,Nb3V3Ir2,-9.80900047,-0.4049377588,0.0457060944,0.0457060944,GGA,R32,A2B3C3_hR24_155_c_d_e:Ir-Nb-V,8.0,A2B3C3_hR24_155_c_d_e:Ir-Nb-V +mp-1112692,Cs2KTlI6,-2.653016462,-1.2426119682,0.0917345858,0.0917345858,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Tl,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Tl +mp-757021,KGdO2,-9.3133937675,-3.0434191151,0.0,-0.1402036406,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-K-O,4.0,ABC2_hR12_166_a_b_c:Gd-K-O +mp-1184987,KGdO3,-8.327219786,-2.3219023219,0.1836139503,0.1836139503,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Gd-K-O,5.0,ABC3_cP5_221_b_a_c:Gd-K-O +mp-555331,KGdPdO3,-8.1710854808,-2.3033406257,0.0364514142,0.0364514142,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Gd-K-O-Pd,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_6i_i:Gd-K-O-Pd, expected KGdPdO6 to be KGdPdO3" +mp-1200656,RuN5O6,-6.7825824153,-0.0628316293,0.6453600814,0.6453600814,GGA,P2_1/c,A5B6C_mP96_14_10e_12e_2e:N-O-Ru,96.0,A5B6C_mP96_14_10e_12e_2e:N-O-Ru +mp-1204637,Ru(NO2)6,-6.2895522161,-0.0446239726,0.7281368639,0.7281368639,GGA,P2_1,A6B12C_mP38_4_6a_12a_a:N-O-Ru,38.0,A6B12C_mP38_4_6a_12a_a:N-O-Ru +mp-1196627,Re3Ru(N3O7)2,-6.7220466794,0.1896448041,1.5769328123,1.5769328123,GGA,C2/c,A6B14C3D_mC96_15_3f_7f_ef_c:N-O-Re-Ru,48.0,A6B14C3D_mC96_15_3f_7f_ef_a:N-O-Re-Ru +mp-556986,Er2B2Cl2O5,-7.9024831255,-3.2729614856,0.0,-0.0341611599,GGA,Pbam,A2B2C2D5_oP44_55_2g_2h_2g_5g:B-Cl-Er-O,44.0,"Invalid WP multiplicities - A2B2C2D5_oP44_55_5g_6h_6g_17g:B-Cl-Er-O, expected Er6B5Cl6O17 to be Er2B2Cl2O5" +mp-1204549,Er4BClO7,-8.4768800938,-3.7518320439,0.0,-0.0040910473,GGA,P2_1/c,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Er-O,52.0,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Er-O +mp-760382,ThUO4,-10.4269549417,-4.0116177575,0.048347645,0.048347645,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Th-U,6.0,A4BC_tP6_123_i_a_d:O-Th-U +mp-1217365,ThZr2U2O10,-10.269302446,-3.8320380032,0.206056797,0.206056797,GGA,R3m,A10BC2D2_hR45_160_10a_a_2a_2a:O-Th-U-Zr,15.0,A10BC2D2_hR45_160_10a_a_2a_2a:O-Th-U-Zr +mp-760467,ThU8O18,-10.7240008726,-3.8060180899,0.0138683385,0.0138683385,GGA,P-1,A18BC8_aP27_2_9i_a_4i:O-Th-U,27.0,"Invalid WP multiplicities - A18BC8_aP27_2_17i_a_8i:O-Th-U, expected ThU16O34 to be ThU8O18" +mp-1217355,Th2ZrUO8,-10.1767021367,-3.9900074008,0.1720412377,0.1720412377,GGA,P4mm,A8B2CD_tP12_99_4c_ab_a_b:O-Th-U-Zr,12.0,"Invalid WP multiplicities - A8B2CD_tP12_99_8c_ab_a_b:O-Th-U-Zr, expected Th2ZrUO16 to be Th2ZrUO8" +mp-1217343,ThU4O10,-10.6566448233,-3.8535524632,0.0212091593,0.0212091593,GGA,I4/mmm,A10BC4_tI30_139_d2g_a_2e:O-Th-U,15.0,"Invalid WP multiplicities - A10BC4_tI30_139_2d8g_a_3e:O-Th-U, expected ThU6O36 to be ThU4O10" +mp-9666,K2NaGaP2,-3.3539511183,-0.4542804145,0.0,-0.0521972904,GGA,Ibam,AB2CD2_oI24_72_a_j_b_j:Ga-K-Na-P,12.0,AB2CD2_oI24_72_a_j_b_j:Ga-K-Na-P +mp-15417,K2GaP2,-3.6781663503,-0.4630665643,0.0,-0.0977979198,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:Ga-K-P,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_3e_8e_8e:Ga-K-P, expected K8Ga3P8 to be K2GaP2" +mp-1095460,Hg4SbHO6,-3.8700169117,-0.6686351606000001,0.377788047,0.377788047,GGA,P1,AB4C6D_aP12_1_a_4a_6a_a:H-Hg-O-Sb,12.0,AB4C6D_aP12_1_a_4a_6a_a:H-Hg-O-Sb +mp-1219890,Rb3Ge7HO20,-5.9607040068,-1.5210492496,0.305078334,0.305078334,GGA,R3m,A7BC20D3_hR93_160_a2b_a_2a4bc_b:Ge-H-O-Rb,31.0,"Invalid WP multiplicities - A7BC20D3_hR93_160_a2b_a_2a6b3c_b:Ge-H-O-Rb, expected Rb3Ge7HO38 to be Rb3Ge7HO20" +mp-568923,Ba2BN2Cl,-6.4758879931,-1.6360766329,0.0,-0.010445741,GGA,I4_132,AB2CD2_cI144_214_g_aef_g_i:B-Ba-Cl-N,72.0,"Invalid WP multiplicities - AB2CD2_cI144_214_g_2a7e7f_g_i:B-Ba-Cl-N, expected Ba37B3(N2Cl)3 to be Ba2BN2Cl" +mp-555486,LiEu(PO3)4,-7.9873386781,-2.8107053876,0.0104616366,0.0104616366,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Eu-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_20f_5f:Eu-Li-O-P, expected LiEu(PO4)10 to be LiEu(PO3)4" +mp-1102794,Mg2BBrN2,-5.9961126358,-1.311784294,0.0284049645,0.0284049645,GGA,C2/c,ABC2D2_mC24_15_e_e_f_f:B-Br-Mg-N,12.0,ABC2D2_mC24_15_e_e_f_f:B-Br-Mg-N +mp-1079835,Mg(BrN3)2,-4.2192937133,1.8612958711,2.5012010689,2.5012010689,GGA,Fm-3m,A2BC6_cF36_225_c_a_e:Br-Mg-N,9.0,A2BC6_cF36_225_c_a_e:Br-Mg-N +mp-1201213,Cs2Cd3(B4O7)4,-7.7854448398,-2.6846892016,0.0017703995,0.0017703995,GGA,C2/c,A16B3C2D28_mC196_15_8f_ef_f_14f:B-Cd-Cs-O,98.0,A16B3C2D28_mC196_15_8f_ef_f_14f:B-Cd-Cs-O +mp-1191636,CsCdBO3,-6.0995754742,-2.2099504681,0.0,-0.0174346592,GGA,P2_13,ABCD3_cP24_198_a_a_a_b:B-Cd-Cs-O,24.0,ABCD3_cP24_198_a_a_a_b:B-Cd-Cs-O +mp-559994,La6S4BrN3,-7.4201479525,-2.2255511523,0.0,-0.0286596396,GGA,Pnma,AB6C3D4_oP56_62_c_6c_3c_4c:Br-La-N-S,56.0,"Invalid WP multiplicities - AB6C3D4_oP56_62_c_22c_8c_14c:Br-La-N-S, expected La22S14BrN8 to be La6S4BrN3" +mp-556958,La4S3N2,-7.6119343911,-2.1867824055,0.0,-0.0527281078,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:La-N-S,18.0,"Invalid WP multiplicities - A4B2C3_oP18_58_5g_g_2a2g:La-N-S, expected La5S3N to be La4S3N2" +mp-29197,La3Br6N,-5.6550700186,-2.4088013966,0.0,-0.1197622401,GGA,Pbca,A6B3C_oP80_61_6c_3c_c:Br-La-N,80.0,A6B3C_oP80_61_6c_3c_c:Br-La-N +mp-555129,La3S3N,-7.3939735164,-2.3148498249,0.0,-0.0182165293,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:La-N-S,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_8c_c_10c:La-N-S, expected La8S10N to be La3S3N" +mp-582176,CsZr6CI14,-5.0377272889,-1.3087545368,0.0,-0.005713528,GGA,Cmce,ABC14D6_oC88_64_a_b_def2g_fg:C-Cs-I-Zr,44.0,"Invalid WP multiplicities - ABC14D6_oC88_64_a_b_3d3e2f10g_4f4g:C-Cs-I-Zr, expected CsZr24CI56 to be CsZr6CI14" +mp-571150,Cs2Zr7CI18,-4.8212690018,-1.3436272537,0.0,-0.0038278756,GGA,R-3,AB2C18D7_hR84_148_a_c_3f_bf:C-Cs-I-Zr,28.0,"Invalid WP multiplicities - AB2C18D7_hR84_148_a_c_10f_bf:C-Cs-I-Zr, expected Cs2Zr7CI60 to be Cs2Zr7CI18" +mp-654165,Tl4Mo(CN)8,-7.51309178,0.1448846979,0.2147992661,0.2147992661,GGA,C2/c,A8BC8D4_mC168_15_8f_f_8f_4f:C-Mo-N-Tl,84.0,"Invalid WP multiplicities - A8BC8D4_mC168_15_28f_f_28f_13f:C-Mo-N-Tl, expected Tl13Mo(CN)28 to be Tl4Mo(CN)8" +mp-558829,Cs3Yb(SO4)3,-6.3192893632,-2.3195299141,0.0,-0.0288700611,GGA,R3c,A3B12C3D_hR114_161_b_4b_b_a:Cs-O-S-Yb,,"Invalid WP multiplicities - A3B12C3D_hR114_161_b_17b_b_a:Cs-O-S-Yb, expected Cs3Yb(SO17)3 to be Cs3Yb(SO4)3" +mp-1213282,CsYb(SO4)2,-6.4973014162,-2.3071830766,0.007667614,0.007667614,GGA,P2/c,AB8C2D_mP24_13_e_4g_g_f:Cs-O-S-Yb,,AB8C2D_mP24_13_e_4g_g_f:Cs-O-S-Yb +mp-1220140,Ni2P2(SeS)3,-4.987642811,-0.4592465703,0.066817601,0.066817601,GGA,P1,A2B2C3D3_aP10_1_2a_2a_3a_3a:Ni-P-S-Se,10.0,A2B2C3D3_aP10_1_2a_2a_3a_3a:Ni-P-S-Se +mp-1079754,NiPSe3,-4.740707723,-0.4044729991,0.053721649,0.053721649,GGA,C2/m,ABC3_mC20_12_g_i_ij:Ni-P-Se,10.0,ABC3_mC20_12_g_i_ij:Ni-P-Se +mp-1017582,LaPt3C,-6.693554388,-0.2179398765,0.5133005672000001,0.5133005672000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-La-Pt,5.0,ABC3_cP5_221_b_a_c:C-La-Pt +mp-9219,LaB2Pt2C,-7.249092095,-0.6381382985,0.0246026393,0.0246026393,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-La-Pt,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-La-Pt +mp-1211262,LaBPt4,-6.7938806225,-0.8105585965000001,0.0,-0.0838006974,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-La-Pt,12.0,ABC4_hP12_191_c_ab_di:B-La-Pt +mp-1018633,LaBPt3,-6.651849326,-0.6860895588,0.1696891155,0.1696891155,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-La-Pt,5.0,ABC3_cP5_221_b_a_c:B-La-Pt +mp-31052,LaBPt2,-6.86302517,-0.923608791,0.0,-0.0328925566,GGA,P6_222,ABC2_hP12_180_d_c_i:B-La-Pt,12.0,ABC2_hP12_180_d_c_i:B-La-Pt +mp-1205939,Tc(NCl3)2,-3.8371781944,0.3989161117,1.045949534,1.045949534,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Tc,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Tc +mp-1201503,Tc3C4NCl6,-5.9514638925,0.2931285139,0.9854946692,0.9854946692,GGA,P-1,A4B6CD3_aP56_2_8i_12i_2i_6i:C-Cl-N-Tc,56.0,A4B6CD3_aP56_2_8i_12i_2i_6i:C-Cl-N-Tc +mp-567182,NaW6CCl18,-5.9812476556,-1.3053387307,0.0,-0.003378922,GGA,P6_3/m,AB18CD6_hP52_176_c_2h2i_b_i:C-Cl-Na-W,52.0,"Invalid WP multiplicities - AB18CD6_hP52_176_c_11h20i_b_i:C-Cl-Na-W, expected NaW6CCl153 to be NaW6CCl18" +mp-1220371,NbAlVC,-8.5111241275,-0.4712610194,0.0389756894,0.0389756894,GGA,P-3m1,ABCD_hP8_164_d_ab_d_d:Al-C-Nb-V,8.0,ABCD_hP8_164_d_ab_d_d:Al-C-Nb-V +mp-1221391,Nd25(B7C13)2,-7.2333471555,-0.2693398723,0.0225652385,0.0225652385,GGA,P2_1/c,A14B26C25_mP130_14_7e_13e_a12e:B-C-Nd,130.0,A14B26C25_mP130_14_7e_13e_a12e:B-C-Nd +mp-22471,Nd2NiB10,-6.8447812385,-0.5286005267,0.0,-0.0273100808,GGA,Pbam,A10B2C_oP26_55_3gi_h_a:B-Nd-Ni,26.0,"Invalid WP multiplicities - A10B2C_oP26_55_4gi_h_a:B-Nd-Ni, expected Nd2NiB12 to be Nd2NiB10" +mp-1191368,NdNiB4,-6.7425629583,-0.531587759,0.0,-0.012128418,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Nd-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Nd-Ni +mp-5765,Nd(BC)2,-7.725382584,-0.4085301922,0.0,-0.0757712807,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Nd,10.0,A2B2C_tP10_127_g_g_b:B-C-Nd +mp-1084804,Nd(BC)2,-7.591962967,-0.2751105752,0.133419617,0.0576483363,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Nd,10.0,A2B2C_tP10_131_j_l_f:B-C-Nd +mp-571244,Nd10(B3C4)3,-7.3520550324,-0.3023780591,0.0368676593,0.0368676593,GGA,P4_12_12,A9B12C10_tP124_92_a4b_6b_5b:B-C-Nd,124.0,"Invalid WP multiplicities - A9B12C10_tP124_92_4a26b_37b_35b:B-C-Nd, expected Nd35B28C37 to be Nd10(B3C4)3" +mp-864790,Nd2BC,-6.664350645,-0.3032626129,0.0,-0.0303040189,GGA,C2/m,ABC2_mC16_12_i_i_2i:B-C-Nd,8.0,ABC2_mC16_12_i_i_2i:B-C-Nd +mp-1220622,Nd15(B3C10)2,-7.45002068,-0.2263164858,0.0269173391,0.0269173391,GGA,P-1,A6B20C15_aP41_2_3i_10i_a7i:B-C-Nd,41.0,A6B20C15_aP41_2_3i_10i_a7i:B-C-Nd +mp-31029,Nd2Ni5B4,-6.3919045018,-0.4687640156,0.0,-0.0045383428,GGA,C2/m,A4B2C5_mC22_12_2i_i_aj:B-Nd-Ni,11.0,"Invalid WP multiplicities - A4B2C5_mC22_12_2i_i_a2j:B-Nd-Ni, expected Nd2Ni9B4 to be Nd2Ni5B4" +mp-1202698,Nd(Ni2B)6,-6.4065506482,-0.3957012683,0.0,-0.05660941,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-Nd-Ni,38.0,A6BC12_oC76_36_2a2b_a_2a5b:B-Nd-Ni +mp-680551,NdNi4B,-6.1761722028,-0.4148245489,0.0067984714,-0.0270981419,GGA,Imma,ABC4_oI72_74_3e_3e_a3eghj:B-Nd-Ni,36.0,"Invalid WP multiplicities - ABC4_oI72_74_4e_6e_2a6e3g4h4j:B-Nd-Ni, expected Nd3Ni19B2 to be NdNi4B" +mp-8048,NdNi4B,-6.1829706742,-0.4216230203,0.0,-0.0338966133,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Nd-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Nd-Ni +mp-568966,NdBC,-7.256013024,-0.3639447921,0.0,-0.0022001907,GGA,P2_12_12_1,ABC_oP60_19_5a_5a_5a:B-C-Nd,60.0,"Invalid WP multiplicities - ABC_oP60_19_20a_18a_18a:B-C-Nd, expected Nd9B10C9 to be NdBC" +mp-6102,NdNi2B2C,-6.938499585,-0.4525212806,0.0,-0.028232307,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Nd-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Nd-Ni +mp-5383,NdNiC2,-7.507963125,-0.2565593506,0.0,-0.0811674068,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Nd-Ni,4.0,A2BC_oC8_38_d_b_a:C-Nd-Ni +mp-3071,Nd3Ni13B2,-6.0780761967,-0.3666871589,0.0063219161,0.0063219161,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-Nd-Ni,18.0,"Invalid WP multiplicities - A2B3C13_hP18_191_c_ae_gh2i:B-Nd-Ni, expected Nd3Ni19B2 to be Nd3Ni13B2" +mp-1206771,Pr2MnP2O,-5.454493535,0.2950265528,2.1581244089,2.1581244089,GGA+U,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Mn-O-P-Pr,6.0,ABC2D2_tP6_123_a_b_g_g:Mn-O-P-Pr +mp-1216937,TiNbHO5,-8.6316714125,-2.8663005803,0.0153792919,0.0153792919,GGA,Pnma,ABC5D_oP32_62_c_c_5c_c:H-Nb-O-Ti,32.0,ABC5D_oP32_62_c_c_5c_c:H-Nb-O-Ti +mp-1219719,Sm4V20(CuO4)15,-7.7494915394,-2.1046239771,0.101939418,0.101939418,GGA+U,R-3,A15B60C4D20_hR297_148_d2f_10f_2c_a2ce2f:Cu-O-Sm-V,99.0,"Invalid WP multiplicities - A15B60C4D20_hR297_148_3d9f_60f_3c_a2c3e7f:Cu-O-Sm-V, expected Sm6V56(Cu7O40)9 to be Sm4V20(CuO4)15" +mp-1191155,TiP2PbO8,-7.9770739308,-2.8097194483,0.0,-0.006514953,GGA,C2/c,A8B2CD_mC48_15_4f_f_e_c:O-P-Pb-Ti,24.0,A8B2CD_mC48_15_4f_f_e_a:O-P-Pb-Ti +mp-554218,Ti4P6PbO24,-8.3051287923,-2.9767013852,0.0,-0.0192777462,GGA,R-3,A24B6CD4_hR105_148_4f_f_a_2c:O-P-Pb-Ti,35.0,"Invalid WP multiplicities - A24B6CD4_hR105_148_20f_f_a_2c:O-P-Pb-Ti, expected Ti4P6PbO120 to be Ti4P6PbO24" +mp-726169,CdNF3,-3.802580934,-0.8038166165,0.6846121465,0.6846121465,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cd-F-N,20.0,AB3C_oP20_62_a_cd_c:Cd-F-N +mp-1214323,Be3Cd2(NF6)2,-4.6362053879000005,-1.8638498313,0.6023715737,0.6023715737,GGA,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cd-F-N,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cd-F-N +mp-731883,BiBr7(N3F2)2,-3.4811365808,0.5397841336,1.25360382,1.25360382,GGA,Pa-3,AB7C4D6_cP72_205_a_bd_2c_d:Bi-Br-F-N,72.0,AB7C4D6_cP72_205_a_bd_2c_d:Bi-Br-F-N +mp-1202540,BiBr7(N3F2)2,-3.1930725715,0.8278481429000001,1.5416678293,1.5416678293,GGA,Pa-3,AB7C4D6_cP72_205_a_bd_2c_d:Bi-Br-F-N,72.0,AB7C4D6_cP72_205_a_bd_2c_d:Bi-Br-F-N +mp-734390,BiNF4,-4.7960494817,-1.4922328275,0.5069188617,0.5069188617,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Bi-F-N,24.0,AB4C_mP24_14_e_4e_e:Bi-F-N +mp-28946,Bi3NF6,-5.3387076568000005,-2.2060240447,0.0268184347,0.0268184347,GGA,Pbcm,A3B6C_oP40_57_de_cd2e_c:Bi-F-N,40.0,A3B6C_oP40_57_de_cd2e_c:Bi-F-N +mp-1228770,Au(OF3)2,-3.4466550867,-0.7093069503,0.2539775356,0.127489277,GGA,P1,AB6C2_aP9_1_a_6a_2a:Au-F-O,9.0,"Invalid WP multiplicities - AB6C2_aP9_2_a_6i_i:Au-F-O, expected Au(OF6)2 to be Au(OF3)2" +mp-990238,Au(OF3)2,-3.7006326222,-0.9632844858,0.0,-0.1264882585,GGA,P-1,AB6C2_aP9_2_a_3i_i:Au-F-O,9.0,"Invalid WP multiplicities - AB6C2_aP9_2_a_4i_i:Au-F-O, expected Au(OF4)2 to be Au(OF3)2" +mp-3530,Au(OF3)2,-3.6870648878,-0.9497167514,0.0135677344,-0.1129205241,GGA,P-1,AB6C2_aP9_2_a_3i_i:Au-F-O,9.0,AB6C2_aP9_2_a_3i_i:Au-F-O +mp-1217460,Te4Au(OF5)4,-4.6063206586,-2.0593054942,0.0253088146,0.0253088146,GGA,P-1,AB20C4D4_aP29_2_a_10i_2i_2i:Au-F-O-Te,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_a_20i_4i_4i:Au-F-O-Te, expected Te8Au(OF5)8 to be Te4Au(OF5)4" +mp-997027,AuO2F,-4.2898559312,-0.5201713337,0.1111276838,0.1111276838,GGA,C222_1,ABC2_oC16_20_a_b_c:Au-F-O,8.0,ABC2_oC16_20_a_b_c:Au-F-O +mp-1206736,Cs2KLaF6,-5.489556872,-3.5589484119,0.0,-0.005088331,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-La,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-La +mp-1223551,KLaF4,-6.2978312594,-4.0157776058,0.0122665056,-0.0423433206,GGA,Cm,A4BC_mC36_8_6a3b_3a_ab:F-K-La,18.0,A4BC_mC36_8_6a3b_3a_ab:F-K-La +mp-1211260,KLaF4,-6.3080138483,-4.0259601947,0.0020839167,-0.0525259094,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-K-La,24.0,A4BC_oP24_62_4c_c_c:F-K-La +mp-1223447,KLaF4,-6.310097765,-4.0280441113,0.0,-0.0546098261,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-K-La,6.0,A4BC_tP6_123_i_a_d:F-K-La +mp-1112058,K2YAuBr6,-3.881965118,-1.7540330193,0.1202307119,0.1202307119,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Br-K-Y +mp-1211245,KTmBeF6,-6.2206350728,-3.910132735,0.0,-0.0178375228,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Tm,18.0,AB6CD_mP18_11_e_2e2f_e_e:Be-F-K-Tm +mp-1110775,K2RbSbI6,-2.801210113,-1.1841569824,0.1241998105,0.1241998105,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Rb-Sb +mp-1215060,Al2Cu11B13,-4.7732589163,0.5888379318,0.6471343133,0.6471343133,GGA,P-43m,A2B13C11_cP52_215_e_2efi_egi:Al-B-Cu,52.0,A2B13C11_cP52_215_e_2efi_egi:Al-B-Cu +mp-1228556,Al6Cu2B4O17,-7.7723695024,-2.8936404164,0.013920785,0.013920785,GGA,Cm,A6B4C2D17_mC58_8_2a2b_4a_2a_9a4b:Al-B-Cu-O,29.0,"Invalid WP multiplicities - A6B4C2D17_mC58_8_2a2b_4a_2a_9a8b:Al-B-Cu-O, expected Al6Cu2B4O25 to be Al6Cu2B4O17" +mp-1113753,KRb2RuF6,-4.99492354,-2.6134491963,0.0,-0.0303297903,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Ru,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Rb-Ru +mp-1111431,K2RbRuF6,-4.941809816,-2.5473489849,0.0537245635,0.0537245635,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ru,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ru +mp-559301,SbP(Cl2F3)2,-4.4681764583,-2.101066109,0.0951926385,0.0951926385,GGA,P4/n,A4B6CD_tP24_85_g_2cg_a_c:Cl-F-P-Sb,24.0,"Invalid WP multiplicities - A4B6CD_tP24_85_g_3c2g_a_c:Cl-F-P-Sb, expected SbPCl4F11 to be SbP(Cl2F3)2" +mp-699937,K2Mn2Be3F12,-6.1781636747,-3.2991734282,0.0,-0.0056264714,GGA+U,P2_1,A3B12C2D2_mP152_4_12a_48a_8a_8a:Be-F-K-Mn,152.0,"Invalid WP multiplicities - A3B12C2D2_mP152_4_23a_95a_15a_16a:Be-F-K-Mn, expected K15Mn16Be23F95 to be K2Mn2Be3F12" +mp-15266,K2Mn2Be3F12,-6.0305476649,-3.1515574184,0.1476160098,0.1419895384,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-K-Mn,76.0,"Invalid WP multiplicities - A3B12C2D2_cP76_198_b_8b_2a_2a:Be-F-K-Mn, expected K2Mn2Be3F24 to be K2Mn2Be3F12" +mp-1112198,K2HgRhF6,-4.312137731,-2.1763717376,0.0966358352,0.0966358352,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Rh,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Rh +mp-1180689,KVCu3Se4,-4.7333646478,-0.6805234325,0.14843368,0.14843368,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-K-Se-V +mp-10091,KV(CuSe2)2,-4.9788440394,-0.9317985059,0.0007782456,0.0007782456,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Cu-K-Se-V,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_ab_b_3b3c_b:Cu-K-Se-V, expected KVCu2Se9 to be KV(CuSe2)2" +mp-1212400,K2VCuSe2,-4.0315738054,-0.2989515405,0.6398910819,0.6398910819,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Cu-K-Se-V,24.0,AB2C2D_oF96_70_c_h_h_d:Cu-K-Se-V +mp-672160,K2VCuSe4,-4.8002406681,-1.1267961,0.0149752544,-0.0665824278,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-K-Se-V,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-K-Se-V +mp-15220,K2VCuSe4,-4.8152159225,-1.1417713544,0.0,-0.0815576822,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-K-Se-V,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-K-Se-V +mp-1179106,U2Cu(GeO9)2,-6.4849963057,-1.0515841664,0.8378647732000001,0.8378647732000001,GGA,C2/m,AB2C18D2_mC46_12_a_i_gh5ij_i:Cu-Ge-O-U,23.0,AB2C18D2_mC46_12_a_i_gh5ij_i:Cu-Ge-O-U +mp-1239037,U2Cu(GeO9)2,-6.6468482535,-1.2134361142,0.6760128254000001,0.6760128254000001,GGA,C2/m,AB2C18D2_mC46_12_a_i_gh5ij_i:Cu-Ge-O-U,23.0,AB2C18D2_mC46_12_a_i_gh5ij_i:Cu-Ge-O-U +mp-677103,RbHF2,-4.5344539138,-2.4853994006,0.0017271625,-0.1852997188,GGA,Ima2,A2BC_oI16_46_2b_b_a:F-H-Rb,8.0,A2BC_oI16_72_j_c_b:F-H-Rb +mp-29764,RbHF2,-4.5361810763,-2.4871265631,0.0,-0.1870268813,GGA,I4/mcm,A2BC_tI16_140_h_d_a:F-H-Rb,8.0,A2BC_tI16_140_h_d_a:F-H-Rb +mp-1203838,Rb2Ti4H3F21,-6.0986128245,-3.3032037357,0.0,-0.0662029365,GGA,P-1,A21B3C2D4_aP60_2_21i_3i_2i_4i:F-H-Rb-Ti,60.0,A21B3C2D4_aP60_2_21i_3i_2i_4i:F-H-Rb-Ti +mp-7123,KSb(PSe3)2,-4.3486507115,-0.6445033049000001,0.0,-0.0193704264,GGA,P2_1,AB2CD6_mP20_4_a_2a_a_6a:K-P-Sb-Se,20.0,"Invalid WP multiplicities - AB2CD6_mP20_4_a_2a_a_9a:K-P-Sb-Se, expected KSbP2Se9 to be KSb(PSe3)2" +mp-1197827,Sr(BiS2)2,-4.8705063001,-1.1681818457,0.0,-0.0097462215,GGA,P6_3/m,A2B4C_hP84_176_4h_8h_2h:Bi-S-Sr,84.0,A2B4C_hP84_176_4h_8h_2h:Bi-S-Sr +mp-1078631,SrBiS2F,-5.221712103,-2.0788398461,0.0086549811,0.0086549811,GGA,P4/nmm,ABC2D_tP10_129_c_a_2c_c:Bi-F-S-Sr,10.0,ABC2D_tP10_129_c_a_2c_c:Bi-F-S-Sr +mp-1210947,LuAg(WO4)2,-8.4477678867,-2.3774948306,0.0144018847,0.0144018847,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Lu-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Lu-O-W +mp-6803,Sr3Pr2(BO3)4,-8.138166831,-3.3425419029,0.0008192817,0.0008192817,GGA,Pna2_1,A4B12C2D3_oP84_33_4a_12a_2a_3a:B-O-Pr-Sr,84.0,"Invalid WP multiplicities - A4B12C2D3_oP84_33_5a_16a_2a_3a:B-O-Pr-Sr, expected Sr3Pr2B5O16 to be Sr3Pr2(BO3)4" +mp-1229084,AgW2(Br3O)2,-5.5029490927,-1.142916014,0.0785052274,0.0785052274,GGA+U,Cm,AB6C2D2_mC22_8_a_6a_2a_2a:Ag-Br-O-W,11.0,AB6C2D2_mC22_8_a_6a_2a_2a:Ag-Br-O-W +mp-29718,AgW3Br7,-5.6519651748,-0.8721338108000001,0.0,-0.0088569902,GGA,P2_1/c,AB7C3_mP44_14_e_7e_3e:Ag-Br-W,44.0,"Invalid WP multiplicities - AB7C3_mP44_14_e_12e_4e:Ag-Br-W, expected Ag(WBr3)4 to be AgW3Br7" +mp-29717,Ag(W3Br7)2,-5.7541712399,-0.8816124778000001,0.0145604103,0.0145604103,GGA,Pn-3,AB14C6_cP84_201_b_e2h_h:Ag-Br-W,84.0,AB14C6_cP84_201_b_e2h_h:Ag-Br-W +mp-19030,La4V5(Si2O11)2,-8.8300943191,-3.2388948181,0.0136676327,0.0136676327,GGA+U,C2/m,A4B22C4D5_mC70_12_2i_5i3j_2i_abce:La-O-Si-V,35.0,"Invalid WP multiplicities - A4B22C4D5_mC70_12_2i_5i4j_2i_abc2f:La-O-Si-V, expected La4V7(Si2O13)2 to be La4V5(Si2O11)2" +mp-9793,Ba3BAsO3,-6.52681196,-2.5348743188,0.0,-0.0347691673,GGA,P6_3/mmc,ABC3D3_hP16_194_a_c_bf_h:As-B-Ba-O,16.0,"Invalid WP multiplicities - ABC3D3_hP16_194_a_c_b2f_h:As-B-Ba-O, expected Ba5BAsO3 to be Ba3BAsO3" +mp-3277,BAsO4,-7.3206717133,-2.1331275432,0.0,-0.0560971884,GGA,I-4,ABC4_tI12_82_a_c_g:As-B-O,6.0,ABC4_tI12_82_a_c_g:As-B-O +mp-11654,BAsO4,-7.2738311806,-2.0862870104,0.0468405328,-0.0092566556,GGA,P3_121,ABC4_hP18_152_a_b_2c:As-B-O,18.0,"Invalid WP multiplicities - ABC4_hP18_152_a_b_4c:As-B-O, expected BAsO8 to be BAsO4" +mp-9784,BaBAsO5,-7.3768636308,-2.6279975468,0.0,-0.0134610438,GGA,P3_121,ABCD5_hP24_152_a_b_b_a2c:As-B-Ba-O,24.0,"Invalid WP multiplicities - ABCD5_hP24_152_a_b_b_a4c:As-B-Ba-O, expected BaBAsO9 to be BaBAsO5" +mp-990430,SrTa2H2O7,-8.4205936417,-2.8524834932000003,0.0861260827,0.0861260827,GGA,I4/mmm,A2B7CD2_tI24_139_e_aeg_b_e:H-O-Sr-Ta,12.0,A2B7CD2_tI24_139_e_aeg_b_e:H-O-Sr-Ta +mp-33753,TaHO3,-8.6707009655,-2.6525870037,0.0675657223,0.0675657223,GGA,I4_1/amd,AB3C_tI40_141_e_eg_c:H-O-Ta,20.0,"Invalid WP multiplicities - AB3C_tI40_141_e_4e3g_c:H-O-Ta, expected TaHO10 to be TaHO3" +mp-625957,Ta2H4O7,-7.8854227492,-2.3536319478,0.0346518462,0.0346518462,GGA,Cc,A4B7C2_mC52_9_4a_7a_2a:H-O-Ta,26.0,"Invalid WP multiplicities - A4B7C2_mC52_9_8a_13a_4a:H-O-Ta, expected Ta4H8O13 to be Ta2H4O7" +mp-625959,Ta2H4O7,-7.8047207946,-2.2729299932,0.1153538008,0.1153538008,GGA,Fdd2,A4B7C2_oF104_43_2ab_3a2b_b:H-O-Ta,26.0,"Invalid WP multiplicities - A4B7C2_oF104_43_3a2b_5a4b_b:H-O-Ta, expected Ta2H7O13 to be Ta2H4O7" +mp-1179079,Ta2H4O7,-7.8319766215,-2.3001858201,0.0880979738,0.0880979738,GGA,Fdd2,A4B7C2_oF104_43_2ab_3a2b_b:H-O-Ta,26.0,"Invalid WP multiplicities - A4B7C2_oF104_43_3a2b_5a4b_b:H-O-Ta, expected Ta2H7O13 to be Ta2H4O7" +mp-625886,Ta2H4O7,-7.7748624608,-2.2430716593,0.1452121346,0.1452121346,GGA,Fddd,A4B7C2_oF104_70_ef_aefg_d:H-O-Ta,26.0,"Invalid WP multiplicities - A4B7C2_oF104_70_ef_a2e2f2g_d:H-O-Ta, expected Ta2H4O13 to be Ta2H4O7" +mp-625920,Ta2H4O7,-7.3987213904,-1.8669305889,0.521353205,0.521353205,GGA,Fd-3m,A4B7C2_cF104_227_e_af_d:H-O-Ta,26.0,A4B7C2_cF104_227_e_af_d:H-O-Ta +mp-1103663,Sr3TaHO6,-7.585223519999999,-3.0398493107,0.0581137723,0.0581137723,GGA,Cm,AB6C3D_mC22_8_a_4ab_ab_a:H-O-Sr-Ta,11.0,AB6C3D_mC22_8_a_4ab_ab_a:H-O-Sr-Ta +mp-1047208,Ca2AgWO6,-7.311843733,-2.3636419069,0.0845009535,0.0845009535,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Ag-Ca-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Ag-Ca-O-W +mp-1390540,Ca2AgWO6,-3.292896352,1.6553054741,4.1034483345,4.1034483345,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Ag-Ca-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Ag-Ca-O-W +mp-1369774,Ca2AgWO6,-7.3257673455,-2.3775655194,0.070577341,0.070577341,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ag-Ca-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Ag-Ca-O-W +mp-8194,Ba2GeP2,-4.709124808,-0.8516082583,0.0,-0.0252117807,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Ba-Ge-P,20.0,A2BC2_mP20_14_2e_e_2e:Ba-Ge-P +mp-1095485,BaGe(PO4)2,-7.5463600383,-2.8011835801,0.0,-0.027686655,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ba-Ge-O-P,12.0,ABC8D2_mC24_12_a_d_2ij_i:Ba-Ge-O-P +mp-27809,Ba(GeP)2,-4.9021031265,-0.5037759938,0.0,-0.0210862135,GGA,P4_2mc,AB2C2_tP20_105_ac_2e_f:Ba-Ge-P,20.0,AB2C2_tP20_105_ac_2e_f:Ba-Ge-P +mp-14215,Ba4GeP4,-4.6906780464,-0.9182183084,0.0,-0.0075532863,GGA,P-43n,A4BC4_cP72_218_ei_ac_ei:Ba-Ge-P,72.0,A4BC4_cP72_218_ei_ac_ei:Ba-Ge-P +mp-1211004,LiSm(WO4)2,-8.6573225367,-2.647549274,0.0,-0.0059561585,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Li-O-Sm-W,24.0,AB8CD2_aP24_2_i_8i_i_2i:Li-O-Sm-W +mp-1211000,LiSm(WO4)2,-8.6511815367,-2.641408274,0.006141,0.0001848415,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Li-O-Sm-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Li-O-Sm-W +mp-1222340,LiSm(WO4)2,-8.5951937592,-2.5854204965000003,0.0621287775,0.056172619,GGA+U,I-4,AB8CD2_tI24_82_a_2g_c_bd:Li-O-Sm-W,12.0,"Invalid WP multiplicities - AB8CD2_tI24_82_a_3g_c_bd:Li-O-Sm-W, expected LiSm(WO6)2 to be LiSm(WO4)2" +mp-569294,NdB2Rh2C,-7.5921365633,-0.5781011956000001,0.0,-0.0294507649,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Nd-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Nd-Rh +mp-8540,NdRhC2,-7.919645975,-0.2721994031,0.066657585,0.066657585,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Nd-Rh,4.0,A2BC_oC8_38_d_b_a:C-Nd-Rh +mp-1220226,NdB4Rh7,-7.241937015,-0.3222812145,0.1685045931,0.1685045931,GGA,Pmmm,A4BC7_oP12_47_ij_a_dfgx:B-Nd-Rh,12.0,"Invalid WP multiplicities - A4BC7_oP12_47_2ij_a_dfgx:B-Nd-Rh, expected NdB6Rh7 to be NdB4Rh7" +mp-3591,NdBRh3,-7.404379794,-0.6962872313,0.0,-0.1032286813,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Nd-Rh,5.0,ABC3_cP5_221_b_a_c:B-Nd-Rh +mp-973480,Nd(BRh)4,-7.3140039606,-0.5425655166000001,0.0032387169,0.0032387169,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Nd-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Nd-Rh +mp-16287,NdRh3C,-7.604045076,-0.386097769,0.0167136518,0.0167136518,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Nd-Rh,5.0,ABC3_cP5_221_b_a_c:C-Nd-Rh +mp-3055,NdB2Rh3,-7.35606383,-0.6527547326,0.0,-0.0234703837,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Nd-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Nd-Rh +mp-1196543,Ga40Mo8C,-4.4998106696,-0.0688370518,0.0645382139,0.0645382139,GGA,R-3,AB40C8_hR147_148_b_ad6f_cf:C-Ga-Mo,49.0,AB40C8_hR147_148_b_ad6f_cf:C-Ga-Mo +mp-15862,GaMo4CS8,-6.8909829743,-0.5530571964000001,0.485283759,0.485283759,GGA,F-43m,ABC4D8_cF56_216_a_c_e_2e:C-Ga-Mo-S,14.0,"Invalid WP multiplicities - ABC4D8_cF56_216_a_c_e_3e:C-Ga-Mo-S, expected GaMo4CS12 to be GaMo4CS8" +mp-1079635,GaMo2C,-8.6024362737,-0.11542084,0.0068153633,0.0068153633,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Ga-Mo,8.0,ABC2_hP8_194_a_c_f:C-Ga-Mo +mp-1190829,SmFe3(BO3)4,-7.897542361,-2.0872182918,0.4997526274,0.4997526274,GGA+U,R32,A4B3C12D_hR60_155_bd_d_2ef_a:B-Fe-O-Sm,20.0,A4B3C12D_hR60_155_bd_d_2ef_a:B-Fe-O-Sm +mp-1216208,Y4Ti6Bi2O21,-8.9826077403,-3.3825993236,0.0224654827,0.0224654827,GGA,C2/m,A2B21C6D4_mC132_12_aci_9i6j_bde2ij_fij:Bi-O-Ti-Y,66.0,"Invalid WP multiplicities - A2B21C6D4_mC132_12_adi_18i24j_bc2e4i2j_fi2j:Bi-O-Ti-Y, expected Y6Ti11(BiO33)2 to be Y4Ti6Bi2O21" +mp-541708,VCdAgO4,-6.3637787311,-1.7029063485,0.0038828807,0.0038828807,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ag-Cd-O-V,28.0,ABC4D_oP28_62_c_a_2cd_c:Ag-Cd-O-V +mp-996963,CdAgO2,-4.2934689163,-0.8812631198,0.0242919987,0.0242919987,GGA,C2/m,ABC2_mC16_12_ab_f_gi:Ag-Cd-O,8.0,"Invalid WP multiplicities - ABC2_mC16_12_ab_e_2g2i:Ag-Cd-O, expected CdAgO4 to be CdAgO2" +mp-996964,CdAgO2,-4.289229585,-0.8770237885000001,0.02853133,0.02853133,GGA,Pmma,ABC2_oP8_51_a_f_be:Ag-Cd-O,8.0,ABC2_oP8_51_a_f_be:Ag-Cd-O +mp-755449,Cd(AgO2)2,-4.3697236407,-0.6019012676000001,0.0592797351,0.0592797351,GGA,Fddd,A2BC4_oF56_70_e_a_h:Ag-Cd-O,14.0,A2BC4_oF56_70_e_a_h:Ag-Cd-O +mp-754454,Cd(AgO2)2,-4.4034654386,-0.6356430655,0.0255379372,0.0255379372,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Ag-Cd-O,14.0,A2BC4_tI28_141_c_b_h:Ag-Cd-O +mp-1257650,AlRe(WO4)2,-8.7543019458,-1.9476458487,0.378563114,0.378563114,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Re-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Re-W +mp-1042310,AlRe(WO4)2,-8.873205555,-2.0665494579,0.2596595049,0.2596595049,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Re-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Re-W +mp-1213517,Eu3Si6N4O9,-9.1249368041,-2.7072508186,0.0032697683,0.0032697683,GGA,P3,A3B4C9D6_hP22_143_abc_ad_3d_2d:Eu-N-O-Si,22.0,A3B4C9D6_hP22_143_abc_ad_3d_2d:Eu-N-O-Si +mp-560341,EuSi2(NO)2,-9.1794803621,-2.3689082004,0.0,-0.03902698,GGA,P1,AB2C2D2_aP28_1_4a_8a_8a_8a:Eu-N-O-Si,28.0,AB2C2D2_aP28_1_4a_8a_8a_8a:Eu-N-O-Si +mp-541190,Cs2LiVO4,-6.4405915019,-2.3692929361,0.0,-0.229720615,GGA+U,Cmc2_1,A2BC4D_oC32_36_2a_a_2ab_a:Cs-Li-O-V,16.0,"Invalid WP multiplicities - A2BC4D_oC32_36_2a_a_2a2b_a:Cs-Li-O-V, expected Cs2LiVO6 to be Cs2LiVO4" +mp-1110934,K2NaMoI6,-3.424389743,-1.1014726033,0.0809039878,0.0809039878,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Mo-Na +mp-1346390,CaWF5,-6.7632785046,-3.260260655,0.0801661032,0.0801661032,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-W,28.0,AB5C_mP28_14_e_5e_e:Ca-F-W +mp-1409253,CaWF5,-6.7733080921,-3.2702902425,0.0701365157,0.0701365157,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-W,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Ca-F-W, expected CaWF7 to be CaWF5" +mp-1395287,CaWF4,-6.6779131942,-2.9096388642,0.3925176858,0.3925176858,GGA+U,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-W,12.0,AB4C_tI24_140_a_l_d:Ca-F-W +mp-1395540,CaWF6,-6.6732049038,-3.3691294144,0.0,-0.1134284777,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-W,8.0,AB6C_hR24_148_a_f_b:Ca-F-W +mp-1047958,BaCaWF7,-6.5454818148000005,-3.5191760325,0.0683179327,0.0683179327,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-W,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-W, expected BaCaWF23 to be BaCaWF7" +mp-568357,K4La6OsI14,-4.266524514,-1.6300391241,0.0,-0.0005508012,GGA,P4/mnc,A14B4C6D_tP50_128_ehi_g_eh_a:I-K-La-Os,50.0,"Invalid WP multiplicities - A14B4C6D_tP50_128_4e4h7i_g_4e3h_a:I-K-La-Os, expected K4La20OsI80 to be K4La6OsI14" +mp-567828,K4La6OsI14,-4.2612242202,-1.6247388303,0.0053002938,0.0047494926,GGA,P4/ncc,A14B4C6D_tP100_130_bc3g_g_2cg_c:I-K-La-Os,100.0,"Invalid WP multiplicities - A14B4C6D_tP100_130_4b4c37g_g_8c6g_c:I-K-La-Os, expected K4La32OsI156 to be K4La6OsI14" +mp-569161,K2La6OsI12,-4.5021968743,-1.6095966765,0.0056843636,0.0056843636,GGA,P2_1/c,A12B2C6D_mP42_14_6e_e_3e_a:I-K-La-Os,42.0,"Invalid WP multiplicities - A12B2C6D_mP42_14_19e_e_10e_a:I-K-La-Os, expected K2La20OsI38 to be K2La6OsI12" +mp-1212017,K2LaI5,-3.6124788944,-1.7970243008,0.0,-0.0096420156,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:I-K-La,32.0,A5B2C_oP32_62_3cd_d_c:I-K-La +mp-1110986,Cs2KCeF6,-5.506801538,-3.4764848729,0.01024662,0.01024662,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-F-K +mp-1112275,K2ScAgF6,-5.464096453,-3.1786267723,0.0261786852,0.0261786852,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Sc +mp-1210039,NaSrVF6,-6.1561804817,-3.5378695237,0.0,-0.0054543542,GGA+U,P2_12_12_1,A6BCD_oP36_19_6a_a_a_a:F-Na-Sr-V,36.0,A6BCD_oP36_19_6a_a_a_a:F-Na-Sr-V +mp-1111936,K2HgPdF6,-4.052143653,-2.1348202656,0.071807088,0.071807088,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Pd,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Pd +mp-1078562,SrAgSF,-4.9066286237,-2.264134051,0.0071664281,0.0071664281,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Ag-F-S-Sr,8.0,ABCD_tP8_129_a_b_c_c:Ag-F-S-Sr +mp-1209385,RbAg(PO3)2,-6.763287352,-2.3313046163,0.0,-0.0107499591,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Ag-O-P-Rb,40.0,AB6C2D_mP40_14_e_6e_2e_e:Ag-O-P-Rb +mp-1219976,RbUAsO9,-6.6894232598,-1.5684848524,0.4385949857,0.4385949857,GGA,P2/c,AB9CD_mP48_13_2f_4e7g_g_2e:As-O-Rb-U,48.0,"Invalid WP multiplicities - AB9CD_mP48_13_2f_4e13g_g_2e:As-O-Rb-U, expected RbUAsO15 to be RbUAsO9" +mp-1195470,Rb4U3(AsO8)2,-7.888746191,-2.8382812906,0.0,-0.0945653019,GGA,P2_1/m,A2B16C4D3_mP50_11_f_4e6f_aef_ef:As-O-Rb-U,50.0,A2B16C4D3_mP50_11_f_4e6f_aef_ef:As-O-Rb-U +mp-1227146,CaNbNO2,-8.571757367,-2.5044019135,0.0832884326,0.0832884326,GGA,P2_1/c,ABCD2_mP20_14_e_e_ad_2e:Ca-N-Nb-O,20.0,ABCD2_mP20_14_e_e_ab_2e:Ca-N-Nb-O +mp-1211921,Sc2W5(SeO4)3,-7.6602021652,-0.964584514,1.3297685135,1.3297685135,GGA+U,P1,A12B2C3D5_aP44_1_24a_4a_6a_10a:O-Sc-Se-W,44.0,A12B2C3D5_aP44_1_24a_4a_6a_10a:O-Sc-Se-W +mp-1237644,Sc2W5(SeO4)3,-7.5550520107,-0.8594343594,1.434918668,1.434918668,GGA+U,P1,A12B2C3D5_aP44_1_24a_4a_6a_10a:O-Sc-Se-W,44.0,A12B2C3D5_aP44_1_24a_4a_6a_10a:O-Sc-Se-W +mp-561619,CsLuS2,-5.4741863,-2.0518731435,0.00203894,-0.1091693963,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-Lu-S,4.0,ABC2_hR12_166_a_b_c:Cs-Lu-S +mp-1087532,CsLuS2,-5.47622524,-2.0539120835,0.0,-0.1112083363,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Cs-Lu-S,8.0,ABC2_hP8_194_c_a_f:Cs-Lu-S +mp-1213663,CsLu(SO4)2,-6.9544385658,-2.5158750395,0.0446237415,0.0446237415,GGA,P2/c,ABC8D2_mP24_13_e_f_4g_g:Cs-Lu-O-S,24.0,ABC8D2_mP24_13_e_f_4g_g:Cs-Lu-O-S +mp-1202825,CsLu7S11,-6.4367564354,-2.3292298803,0.0,-0.0423302712,GGA,Cmce,AB7C11_oC152_64_f_cdf2g_e2f4g:Cs-Lu-S,76.0,AB7C11_oC152_64_f_cdf2g_e2f4g:Cs-Lu-S +mp-1205587,ErPRu2C,-8.222814548,-0.6711161702,0.0,-0.0178522704,GGA,Cmcm,ABCD2_oC20_63_a_c_c_f:C-Er-P-Ru,10.0,ABCD2_oC20_63_a_c_c_f:C-Er-P-Ru +mp-1200410,Er5P12Ru19,-8.1945048447,-0.8608417228,0.0,-0.0762858175,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Er-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:Er-P-Ru +mp-12058,Er(PRu)2,-7.820082938,-1.0314571573,0.0,-0.0405595165,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Er-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Er-P-Ru +mp-1209599,PrTl(WO4)2,-8.3902566146,-2.3374800269,0.1428695646,0.1067691602,GGA+U,C2/m,A8BCD2_mC48_12_2i3j_i_g_hi:O-Pr-Tl-W,24.0,A8BCD2_mC48_12_2i3j_i_g_hi:O-Pr-Tl-W +mp-1209389,PrTl(WO4)2,-8.5331261792,-2.4803495915,0.0,-0.0361004044,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Pr-Tl-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Pr-Tl-W +mp-1190864,BaAu2(SO4)4,-6.2752453348,-1.7465689092,0.0,-0.0671038483,GGA,C2/m,A2BC16D4_mC46_12_ab_c_4j_j:Au-Ba-O-S,23.0,A2BC16D4_mC46_12_ab_c_4j_j:Au-Ba-O-S +mp-1200309,HfCdC6O17,-7.0250883056,-1.0112571121,0.8861512392,0.8861512392,GGA,P2_1/c,A6BCD17_mP100_14_6e_e_e_17e:C-Cd-Hf-O,100.0,A6BCD17_mP100_14_6e_e_e_17e:C-Cd-Hf-O +mp-1209334,RbHo(WO4)2,-8.5948739,-2.6738144756,0.0,-0.0190919039,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Ho-O-Rb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Ho-O-Rb-W +mp-560831,Na6P4Pb3S16,-4.6543428424,-0.9678083297,0.0,-0.0144328278,GGA,R3m,A6B4C3D16_hR87_160_c_ab_b_a3bc:Na-P-Pb-S,29.0,"Invalid WP multiplicities - A6B4C3D16_hR87_160_c_ab_b_a7b4c:Na-P-Pb-S, expected Na6P4Pb3S46 to be Na6P4Pb3S16" +mp-19852,Ba2UMnO6,-8.658413126,-3.261262381,0.0,-0.0930386101,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-U +mp-1212677,FeSe2NO8,-5.7905478492,-0.5095604508,0.650715884,0.650715884,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Fe-N-O-Se,12.0,ABC8D2_hP12_150_a_b_dg_d:Fe-N-O-Se +mp-37947,Na4C2O5,-6.1895079591,-1.7821556214,0.1131726403,0.1131726403,GGA,Cm,A2B4C5_mC22_8_2a_4a_a2b:C-Na-O,11.0,A2B4C5_mC22_8_2a_4a_a2b:C-Na-O +mp-4823,Na2PdC2,-5.223018132,0.0334345444,0.045265635,0.045265635,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-Na-Pd,5.0,A2B2C_hP5_164_c_d_a:C-Na-Pd +mp-1173800,Na3CO5,-5.5994093211,-1.3849998845,0.3041502198,0.3041502198,GGA,P1,AB3C5_aP9_1_a_3a_5a:C-Na-O,9.0,AB3C5_aP9_1_a_3a_5a:C-Na-O +mp-4534,NaCO2,-6.9937775012,-1.8826354491,0.0068183061,0.0068183061,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:C-Na-O,16.0,ABC2_mP16_14_e_e_2e:C-Na-O +mp-1078590,NaCO2,-6.5869877512,-1.4758456991,0.4136080561,0.4136080561,GGA,C2/c,ABC2_mC16_15_e_e_f:C-Na-O,8.0,ABC2_mC16_15_e_e_f:C-Na-O +mp-675271,Na2CO5,-5.801942905,-1.2260479505,0.3314663176,0.3314663176,GGA,Cm,AB2C5_mC16_8_a_2a_a2b:C-Na-O,8.0,AB2C5_mC16_8_a_2a_a2b:C-Na-O +mp-1221738,Na2CO6,-5.7788081114,-1.1617138506,0.2227432766,0.2227432766,GGA,Cc,AB2C6_mC72_9_2a_4a_12a:C-Na-O,36.0,"Invalid WP multiplicities - AB2C6_mC72_9_3a_6a_17a:C-Na-O, expected Na6C3O17 to be Na2CO6" +mp-729505,Na(CO)3,-7.4488519279,-1.1847679415,0.2742793326,0.2742793326,GGA,P1,A3BC3_aP28_1_12a_4a_12a:C-Na-O,28.0,"Invalid WP multiplicities - A3BC3_oF112_43_9b_b_11b:C-Na-O, expected NaC9O11 to be Na(CO)3" +mp-561309,Na(CO)3,-7.4843895443,-1.2203055579,0.2387417162,0.2387417162,GGA,Fddd,A3BC3_oF112_70_eh_f_eh:C-Na-O,28.0,"Invalid WP multiplicities - A3BC3_oF112_70_4e3h_f_4e4h:C-Na-O, expected Na(C5O6)2 to be Na(CO)3" +mp-1188736,Na2Pd(C2O5)2,-6.7228051029,-1.1812473689,0.5819370213,0.5819370213,GGA,P-1,A4B2C10D_aP17_2_2i_i_5i_a:C-Na-O-Pd,17.0,A4B2C10D_aP17_2_2i_i_5i_a:C-Na-O-Pd +mp-1180585,Na3(CO4)2,-6.0855736008,-1.316464635,0.3313574462,0.3313574462,GGA,C2/c,A2B3C8_mC52_15_f_ef_4f:C-Na-O,26.0,A2B3C8_mC52_15_f_ef_4f:C-Na-O +mp-1194394,Na3(CO4)2,-6.1354696754,-1.3663607096,0.2814613716,0.2814613716,GGA,C2/c,A2B3C8_mC52_15_f_ef_4f:C-Na-O,26.0,A2B3C8_mC52_15_f_ef_4f:C-Na-O +mp-1210402,Na3(CO3)2,-6.6189583795,-1.8821366402,0.0652894557,0.0652894557,GGA,C2/c,A2B3C6_mC44_15_f_ef_3f:C-Na-O,22.0,A2B3C6_mC44_15_f_ef_3f:C-Na-O +mp-1182529,Na4CO4,-5.1747937133,-1.363069101,0.5010412842,0.5010412842,GGA,P1,AB4C4_aP9_1_a_4a_4a:C-Na-O,9.0,AB4C4_aP9_1_a_4a_4a:C-Na-O +mp-13274,Na4CO4,-5.5460625967,-1.7343379843000002,0.1297724009,0.1297724009,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-Na-O,9.0,AB4C4_mC18_5_a_2c_2c:C-Na-O +mp-545541,Na4CO4,-5.3934499511,-1.5817253387,0.2823850464,0.2823850464,GGA,Cm,AB4C4_mC18_8_a_2b_2ab:C-Na-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_4b_2a2b:C-Na-O, expected Na8CO6 to be Na4CO4" +mp-645295,Na4CO4,-5.3699180667,-1.5581934543,0.3059169309,0.3059169309,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-Na-O,9.0,AB4C4_mC18_8_a_2ab_2ab:C-Na-O +mp-546707,Na4CO4,-5.5363451444,-1.7246205321,0.1394898531,0.1394898531,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-Na-O,9.0,AB4C4_tI18_121_a_i_i:C-Na-O +mp-546551,Na4CO4,-5.5200692133,-1.708344601,0.1557657842,0.1557657842,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-Na-O,9.0,AB4C4_tI18_121_a_i_i:C-Na-O +mp-552623,Na4CO4,-5.3697613967,-1.5580367843,0.3060736009,0.3060736009,GGA,R3,AB4C4_hR27_146_a_ab_ab:C-Na-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_146_a_a2b_ab:C-Na-O, expected Na7CO4 to be Na4CO4" +mp-552941,Na4CO4,-5.5220114333,-1.710286821,0.1538235642,0.1538235642,GGA,R3,AB4C4_hR27_146_a_ab_ab:C-Na-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_146_a_a2b_ab:C-Na-O, expected Na7CO4 to be Na4CO4" +mp-552552,Na4CO4,-5.4456729356,-1.6339483232,0.230162062,0.230162062,GGA,R3m,AB4C4_hR27_160_a_ab_ab:C-Na-O,9.0,AB4C4_hR27_160_a_ab_ab:C-Na-O +mp-551886,Na4CO4,-5.3710195033,-1.559294891,0.3048154942,0.3048154942,GGA,P-43m,AB4C4_cP9_215_a_e_e:C-Na-O,9.0,AB4C4_cP9_215_a_e_e:C-Na-O +mp-727242,NaCO3,-6.855685127,-1.7774337431,0.014880839,-0.0003191491,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-Na-O,20.0,ABC3_mP20_14_e_e_3e:C-Na-O +mp-1120755,NaCO3,-6.870565966,-1.7923145821,0.0,-0.0151999881,GGA,R-3c,ABC3_hR30_167_a_b_e:C-Na-O,10.0,ABC3_hR30_167_a_b_e:C-Na-O +mp-557976,Na(CO)2,-7.219144336,-1.2844975958,0.2270654084,0.2270654084,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:C-Na-O,20.0,"Invalid WP multiplicities - A2BC2_mP20_14_6e_e_4e:C-Na-O, expected Na(C3O2)2 to be Na(CO)2" +mp-3070,Na2CO3,-6.5265014267,-2.0742043911,0.0024812997,-0.2474091121,GGA,C2/m,AB2C3_mC24_12_i_aci_ij:C-Na-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_12_i_adi_2ij:C-Na-O, expected Na2CO4 to be Na2CO3" +mp-1101899,Na2CO3,-6.5155425908,-2.0632455553,0.0134401355,-0.2364502762,GGA,C2/m,AB2C3_mC24_12_i_aci_ij:C-Na-O,12.0,AB2C3_mC24_12_i_adi_ij:C-Na-O +mp-1201027,Na2CO3,-6.5289827263,-2.0766856908,0.0,-0.2498904117,GGA,P2_1/c,AB2C3_mP144_14_6e_12e_18e:C-Na-O,144.0,AB2C3_mP144_14_6e_12e_18e:C-Na-O +mp-20495,Na2CO3,-6.5120549575,-2.059757922,0.0169277688,-0.2329626429,GGA,P6_3/mmc,AB2C3_hP12_194_c_ad_h:C-Na-O,12.0,AB2C3_hP12_194_c_ad_h:C-Na-O +mp-1201967,TmC8N4Cl7,-5.8645361803,0.3650086039,1.0824740464,1.0824740464,GGA,P2_12_12,A8B7C4D_oP40_18_4c_a3c_2c_b:C-Cl-N-Tm,40.0,A8B7C4D_oP40_18_4c_a3c_2c_b:C-Cl-N-Tm +mp-1205483,Tm2(CN2)3,-8.8683488091,-0.9904727296,0.0,-0.2624609566,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Tm,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Tm +mp-1192659,LiGa(H2N)4,-5.1859827646,-0.5127822683000001,0.0015679121,-0.0082185764,GGA,P2_1,AB8CD4_mP28_4_a_8a_a_4a:Ga-H-Li-N,28.0,AB8CD4_mP28_4_a_8a_a_4a:Ga-H-Li-N +mp-1194674,LiGa(H2N)4,-5.1875506768,-0.5143501804,0.0,-0.0097864886,GGA,P2_1/c,AB8CD4_mP56_14_e_8e_e_4e:Ga-H-Li-N,56.0,AB8CD4_mP56_14_e_8e_e_4e:Ga-H-Li-N +mp-1192145,LiGaH4,-3.2940076425,-0.2093537976,0.0002841042,-0.0441770696,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ga-H-Li,24.0,AB4C_mP24_14_e_4e_e:Ga-H-Li +mp-1095586,LiGaH4,-3.2942917467,-0.2096379018,0.0,-0.0444611737,GGA,Cmcm,AB4C_oC24_63_c_fg_c:Ga-H-Li,12.0,AB4C_oC24_63_c_fg_c:Ga-H-Li +mp-1232384,ZrBC,-8.4681378133,-0.3162185156,0.4454730004,0.4454730004,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Zr,6.0,ABC_hP6_194_c_d_a:B-C-Zr +mp-1215263,ZrB2Mo3C2,-9.5401151975,-0.4275195117,0.0457102145,0.0457102145,GGA,Amm2,A2B2C3D_oC16_38_ab_ab_a2b_a:B-C-Mo-Zr,8.0,A2B2C3D_oC16_38_ab_ab_a2b_a:B-C-Mo-Zr +mp-1215250,ZrB4Mo,-8.3082064183,-0.6230534478,0.0864860392,0.0864860392,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Mo-Zr,6.0,A4BC_hP6_191_h_a_b:B-Mo-Zr +mp-1192463,Zr9BMo4,-9.1988214907,-0.1280144992,0.0374861729,0.0374861729,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:B-Mo-Zr,28.0,AB4C9_hP28_194_c_ah_hk:B-Mo-Zr +mp-1079900,Dy(NiB)2,-6.464918982,-0.5597502337,0.0,-0.0159509414,GGA,C2/c,A2BC2_mC20_15_f_e_f:B-Dy-Ni,10.0,A2BC2_mC20_15_f_e_f:B-Dy-Ni +mp-1198877,Dy2(Ni5B3)3,-6.4154843863,-0.4143247779,0.011657192,0.011657192,GGA,Cmce,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Dy-Ni,104.0,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Dy-Ni +mp-1202380,Dy(Ni2B)6,-6.3951335108,-0.3927767937,0.0,-0.0241401809,GGA,Cmc2_1,A6BC12_oC76_36_2a2b_a_2a5b:B-Dy-Ni,38.0,A6BC12_oC76_36_2a2b_a_2a5b:B-Dy-Ni +mp-1105834,Dy(Ni2B)6,-6.3919294711,-0.3895727539,0.0032040397,-0.0209361412,GGA,R-3m,A6BC12_hR57_166_h_a_gh:B-Dy-Ni,19.0,A6BC12_hR57_166_h_a_gh:B-Dy-Ni +mp-1213050,Dy2NiB10,-6.8017713985,-0.5104153932000001,0.0,-0.0081150826,GGA,Pbam,A10B2C_oP26_55_3gi_h_a:B-Dy-Ni,26.0,A10B2C_oP26_55_3gi_h_a:B-Dy-Ni +mp-1190599,DyNiB4,-6.7641686779,-0.5800869107000001,0.0,-0.030076324,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Dy-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Dy-Ni +mp-1190673,Dy4Ni13C4,-6.5602419214,-0.3467378181,0.0,-0.014242259,GGA,Cmmm,A4B4C13_oC42_65_eg_hj_afj2p:C-Dy-Ni,21.0,A4B4C13_oC42_65_eg_hj_afj2p:C-Dy-Ni +mp-1102346,DyNi4B,-6.2249990883,-0.4905448665,0.0,-0.0375541941,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Dy-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Dy-Ni +mp-1202044,Dy11(Ni10C)6,-6.1557991581,-0.2745673529,0.0078698071,0.0078698071,GGA,Im-3m,A6B11C60_cI154_229_e_bf_dejk:C-Dy-Ni,77.0,A6B11C60_cI154_229_e_bf_dejk:C-Dy-Ni +mp-18399,Dy3Ni7B2,-6.1456328429,-0.5089577744,0.0,-0.0148151674,GGA,P6_3/mmc,A2B3C7_hP24_194_bc_df_ak:B-Dy-Ni,24.0,"Invalid WP multiplicities - A2B3C7_hP24_194_bc_df_a2k:B-Dy-Ni, expected Dy3Ni13B2 to be Dy3Ni7B2" +mp-1103438,Dy2(NiB2)3,-6.6256913464,-0.5683882241,0.0024547425,0.0024547425,GGA,Cmmm,A6B2C3_oC22_65_gp_j_ah:B-Dy-Ni,11.0,A6B2C3_oC22_65_gp_j_ah:B-Dy-Ni +mp-1203435,Dy4NiB13,-6.6406064364,-0.4717521552,0.1137358226,0.1137358226,GGA,P4/mnc,A13B4C_tP36_128_agi_h_b:B-Dy-Ni,36.0,A13B4C_tP36_128_agi_h_b:B-Dy-Ni +mp-1197227,Dy3Ni19B10,-6.3830726681,-0.4319203197,0.0088127086,0.0088127086,GGA,C2/m,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Dy-Ni,32.0,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Dy-Ni +mp-4587,DyNiC2,-7.547054035,-0.3359904088,0.0,-0.0681205697,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Dy-Ni,4.0,A2BC_oC8_38_d_b_a:C-Dy-Ni +mp-6223,DyNi2B2C,-6.974960045,-0.5158751726,0.0,-0.044804226,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Dy-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Dy-Ni +mp-1204635,Dy2(Ni2B)5,-6.3727015377,-0.4661192239,0.0,-0.0062566637,GGA,Pbca,A5B2C10_oP136_61_5c_2c_10c:B-Dy-Ni,136.0,A5B2C10_oP136_61_5c_2c_10c:B-Dy-Ni +mp-1197710,Dy2Ni22C3,-6.2034298209,-0.1270380758,0.0194108219,0.0194108219,GGA,Cmce,A3B2C22_oC216_64_fg_ef_ab5f8g:C-Dy-Ni,108.0,A3B2C22_oC216_64_fg_ef_ab5f8g:C-Dy-Ni +mp-542729,Dy3Ni13B2,-6.1174130372,-0.4329174316,0.0039491528,0.0039491528,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-Dy-Ni,18.0,A2B3C13_hP18_191_c_ae_ghi:B-Dy-Ni +mp-562965,CsCrP2O7,-7.761660713,-2.6705810917,0.0,-0.0366930123,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Cs-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_5e:Cr-Cs-O-P, expected CsCrP5O24 to be CsCrP2O7" +mp-16587,Dy4Si2S3O7,-8.0351328175,-3.2655106925,0.0130040684,0.0130040684,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Dy-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Dy-O-S-Si +mp-555721,Sr4GaN3O,-5.6399620358,-1.2241572223,0.0735402447,0.0735402447,GGA,Pbca,AB3CD4_oP72_61_c_3c_c_4c:Ga-N-O-Sr,72.0,"Invalid WP multiplicities - AB3CD4_oP72_61_c_20c_c_29c:Ga-N-O-Sr, expected Sr29GaN20O to be Sr4GaN3O" +mp-755597,Ca2CeO4,-7.7998863643,-3.5525943986,0.0209136086,0.0209136086,GGA,Pbam,A2BC4_oP14_55_g_b_gh:Ca-Ce-O,14.0,"Invalid WP multiplicities - A2BC4_oP14_55_g_b_2g3h:Ca-Ce-O, expected Ca2CeO10 to be Ca2CeO4" +mp-770977,Ca2CeO4,-7.7556313943,-3.5083394286000003,0.0651685786,0.0651685786,GGA,Pbca,A2BC4_oP28_61_c_a_2c:Ca-Ce-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_61_c_a_5c:Ca-Ce-O, expected Ca2CeO10 to be Ca2CeO4" +mp-1227464,CaCe3V4O16,-8.7481028354,-3.1111232102,0.0063955083,0.0063955083,GGA+U,P-4m2,AB3C16D4_tP24_115_a_cg_2j2k_bdg:Ca-Ce-O-V,24.0,"Invalid WP multiplicities - AB3C16D4_tP24_115_a_cg_8j8k_bdg:Ca-Ce-O-V, expected CaCe3V4O64 to be CaCe3V4O16" +mp-1227255,CaCeV2O8,-8.50315408,-3.0298198413,0.0,-0.0219782658,GGA+U,I-4m2,ABC8D2_tI24_119_a_c_2i_bd:Ca-Ce-O-V,12.0,"Invalid WP multiplicities - ABC8D2_tI24_119_a_c_6i_bd:Ca-Ce-O-V, expected CaCeV2O24 to be CaCeV2O8" +mp-756365,CaCeO3,-8.176925261,-3.6211742272,0.059074767,0.059074767,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Ce-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Ca-Ce-O, expected CaCeO7 to be CaCeO3" +mp-557063,Sm7V(Se2O)4,-7.1170878983,-2.6236851142,0.0269855789,0.0269855789,GGA+U,Pbam,A4B8C7D_oP40_55_gh_2g2h_ag2h_c:O-Se-Sm-V,40.0,A4B8C7D_oP40_55_gh_2g2h_ag2h_c:O-Se-Sm-V +mp-754993,SbSeO5,-5.9237141164,-1.3010917916,0.06611597,0.06611597,GGA,P2_12_12_1,A5BC_oP28_19_5a_a_a:O-Sb-Se,28.0,"Invalid WP multiplicities - A5BC_oP28_19_17a_a_a:O-Sb-Se, expected SbSeO17 to be SbSeO5" +mp-779462,Sb2(SeO4)3,-5.8531068816000005,-1.2586362082,0.0711216725,0.0711216725,GGA,P2_1/c,A12B2C3_mP68_14_12e_2e_3e:O-Sb-Se,68.0,"Invalid WP multiplicities - A12B2C3_mP68_14_47e_3e_11e:O-Sb-Se, expected Sb3Se11O47 to be Sb2(SeO4)3" +mp-1216305,VSb(SeO3)4,-6.3503145819,-1.5416024844,0.0,-0.0262814975,GGA+U,P2_1/c,A12BC4D_mP36_14_6e_a_2e_d:O-Sb-Se-V,36.0,"Invalid WP multiplicities - A12BC4D_mP36_14_18e_a_4e_d:O-Sb-Se-V, expected VSb(Se2O9)4 to be VSb(SeO3)4" +mp-1196547,TlAsH2F10,-4.5039452461,-2.1523735806,0.0,-0.0345330148,GGA,P2_1/c,AB10C2D_mP56_14_e_10e_2e_e:As-F-H-Tl,56.0,AB10C2D_mP56_14_e_10e_2e_e:As-F-H-Tl +mp-1113062,Cs2YInF6,-5.57724613,-3.3294627908,0.0180444725,0.0180444725,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-In-Y +mp-1104418,H6W,-4.6944803536,0.0647320036,0.0685749086,0.0685749086,GGA,C2/m,A6B_mC28_12_6i_i:H-W,14.0,A6B_mC28_12_6i_i:H-W +mp-1184653,HW3,-9.4791730737,1.08760611,1.0892873809,1.0892873809,GGA,P6_3/mmc,AB3_hP8_194_c_h:H-W,8.0,AB3_hP8_194_c_h:H-W +mp-1007761,HW,-8.017653405,0.1577747325,0.1611372744,0.1611372744,GGA,P6_3/mmc,AB_hP4_194_a_c:H-W,4.0,AB_hP4_194_a_c:H-W +mp-1214410,CaH12(W3Cl)2,-5.4674467186,0.4451326681,0.8494752793,0.8494752793,GGA,P321,AB2C12D6_hP21_150_a_d_2g_ef:Ca-Cl-H-W,21.0,AB2C12D6_hP21_150_a_d_2g_ef:Ca-Cl-H-W +mp-984055,Ca7(H6Cl)2,-3.7703635871,-0.9870785862,0.0,-0.0035582124,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:Ca-Cl-H,21.0,"Invalid WP multiplicities - A7B2C12_hP21_174_ajk_cf_4j4k:Ca-Cl-H, expected Ca7(H12Cl)2 to be Ca7(H6Cl)2" +mp-1078686,H3W,-5.65499031,0.1290867812,0.1341305941,0.1341305941,GGA,P2_1/m,A3B_mP8_11_3e_e:H-W,8.0,A3B_mP8_11_3e_e:H-W +mp-1079923,H3W,-5.711057035,0.0730200562,0.0780638691,0.0780638691,GGA,P2_1/m,A3B_mP8_11_3e_e:H-W,8.0,A3B_mP8_11_3e_e:H-W +mp-1078595,H4W,-5.311186949,-0.005380067,0.0,-0.005380067,GGA,P4/nmm,A4B_tP10_129_2cf_c:H-W,10.0,A4B_tP10_129_2cf_c:H-W +mp-1095432,H2W,-6.4056238517,0.175570255,0.1800536442,0.1800536442,GGA,Pnma,A2B_oP12_62_2c_c:H-W,12.0,A2B_oP12_62_2c_c:H-W +mp-23859,CaHCl,-4.1728950617,-1.7572742,0.0,-0.013354215,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ca-Cl-H,6.0,ABC_tP6_129_c_c_a:Ca-Cl-H +mp-1214086,Ca2HCl2,-3.105149402,-0.8849495770000001,1.010464326,1.010464326,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ca-Cl-H,5.0,A2B2C_tP5_123_g_g_a:Ca-Cl-H +mp-1095646,H5W,-4.7856286283,0.2013314475,0.2058148367,0.2058148367,GGA,Pma2,A5B_oP12_28_c2d_c:H-W,12.0,A5B_oP12_28_c2d_c:H-W +mp-1021327,KLiICl,-3.348667635,-1.7633614291000002,0.1579996187,0.1579996187,GGA,P4/mmm,ABCD_tP4_123_a_d_c_b:Cl-I-K-Li,4.0,ABCD_tP4_123_a_d_c_b:Cl-I-K-Li +mp-24302,CdAs2HF13,-4.6358873474,-2.3721768066,0.0,-0.0436011468,GGA,P2_1/c,A2BC13D_mP68_14_2e_e_13e_e:As-Cd-F-H,68.0,A2BC13D_mP68_14_2e_e_13e_e:As-Cd-F-H +mp-1183656,CdH,-1.780694825,0.3771130775,0.3771130775,0.3771130775,GGA,P6_3mc,AB_hP4_186_b_b:Cd-H,4.0,AB_hP4_186_b_b:Cd-H +mp-1111974,CsK2NbF6,-5.345770784,-2.8771328729,0.1994806582,0.1994806582,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Nb,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Nb +mp-1219270,Sm2V(Fe8N)2,-8.3263698914,-0.197112389,0.1429537019,0.1429537019,GGA,Cm,A16B2C2D_mC42_8_4a6b_b_2a_a:Fe-N-Sm-V,21.0,"Invalid WP multiplicities - A16B2C2D_mC42_8_4a9b_b_2a_a:Fe-N-Sm-V, expected Sm2V(Fe11N)2 to be Sm2V(Fe8N)2" +mp-1219059,SmV2Fe10N,-8.4238391043,-0.1436172971,0.1664208686,0.1664208686,GGA,Immm,A10BCD2_oI28_71_efgk_a_c_h:Fe-N-Sm-V,14.0,A10BCD2_oI28_71_efgk_a_c_h:Fe-N-Sm-V +mp-1113045,Cs2KInI6,-2.803776836,-1.3544682839,0.0562651227,0.0562651227,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-K,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-K +mp-1216024,YFe11MoN,-8.6221992293,-0.1351385537,0.1323851221,0.1323851221,GGA,Imm2,A11BCD_oI28_44_a2b2ce_a_b_a:Fe-Mo-N-Y,14.0,A11BCD_oI28_44_a2b2ce_a_b_a:Fe-Mo-N-Y +mp-1247169,Y2Fe3N4,-8.7338706161,-0.7684277765,0.2015443869,0.2015443869,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Fe-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Fe-N-Y +mp-1216094,YFe10Mo2N,-8.70654024,-0.0497917858,0.2184916593,0.2184916593,GGA,Immm,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Y,14.0,A10B2CD_oI28_71_efgk_h_a_c:Fe-Mo-N-Y +mp-989604,YMoN3,-9.5667560595,-1.1024348598,0.0,-0.1327494168,GGA,C2/c,AB3C_mC40_15_f_3f_2e:Mo-N-Y,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_8f_4e:Mo-N-Y, expected Y2MoN8 to be YMoN3" +mp-1245408,YFeN2,-8.6945962973,-0.7922257540000001,0.2987663377,0.2987663377,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Fe-N-Y,64.0,AB2C_oP64_61_2c_4c_2c:Fe-N-Y +mp-1246079,Y2FeN3,-8.9695000958,-1.2340920606,0.1156851158,0.1156851158,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Fe-N-Y,24.0,AB3C2_mC48_15_f_2e2f_2f:Fe-N-Y +mp-1207754,Y2Fe17N3,-8.5453911241,-0.2757189617,0.0925668807,0.0925668807,GGA,P6_3/mmc,A17B3C2_hP44_194_fgjk_h_bc:Fe-N-Y,44.0,A17B3C2_hP44_194_fgjk_h_bc:Fe-N-Y +mp-23083,KAs4BrO6,-5.9688954817,-1.7205593846,0.0,-0.0172466604,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-Br-K-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-Br-K-O +mp-1206292,Ba2ErUO6,-8.615758887,-3.6780377902,0.0,-0.069914883,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-U +mp-1218578,SrBiNO5,-6.6633511544,-1.8383610213,0.0,-0.0232752506,GGA,Cm,ABC5D_mC32_8_b_2a_2a4b_b:Bi-N-O-Sr,16.0,"Invalid WP multiplicities - ABC5D_mC32_8_b_2a_2a5b_b:Bi-N-O-Sr, expected SrBiNO6 to be SrBiNO5" +mp-1209773,Rb3La3(BO3)4,-7.8525970918,-3.1331673122,0.0,-0.0190250187,GGA,P2/c,A4B3C12D3_mP88_13_ef3g_ef2g_ef11g_3g:B-La-O-Rb,88.0,A4B3C12D3_mP88_13_ef3g_ef2g_ef11g_3g:B-La-O-Rb +mp-560774,U3Ag6Mo5O27,-7.8861170962,-2.065180223,0.0170560558,0.0170560558,GGA+U,C2/c,A6B5C27D3_mC164_15_3f_e2f_e13f_ef:Ag-Mo-O-U,82.0,"Invalid WP multiplicities - A6B5C27D3_mC164_15_9f_e4f_2e52f_2e2f:Ag-Mo-O-U, expected U6Ag18Mo9O106 to be U3Ag6Mo5O27" +mp-1020611,SrGe2(BO4)2,-7.5790709638,-2.6661600104,0.0,-0.0096209717,GGA,Pnma,A2B2C8D_oP52_62_d_d_2c3d_c:B-Ge-O-Sr,52.0,A2B2C8D_oP52_62_d_d_2c3d_c:B-Ge-O-Sr +mp-1020650,Sr3Ge2(B3O8)2,-7.8529460978,-2.9070977246,0.0,-0.0034017194,GGA,P-1,A6B2C16D3_aP27_2_3i_i_8i_ai:B-Ge-O-Sr,27.0,A6B2C16D3_aP27_2_3i_i_8i_ai:B-Ge-O-Sr +mp-1214520,BaNbI5O16,-5.707185018,-1.4230923611,0.000887729,0.000887729,GGA,Cc,AB5CD16_mC92_9_a_5a_a_16a:Ba-I-Nb-O,46.0,AB5CD16_mC92_9_a_5a_a_16a:Ba-I-Nb-O +mp-1210643,Na3Eu9B8O27,-9.0222609862,-2.9951052106,0.0089988357,0.0089988357,GGA,P-62m,A8B9C3D27_hP47_189_ceh_gi_f_gijl:B-Eu-Na-O,47.0,A8B9C3D27_hP47_189_ceh_gi_f_gijl:B-Eu-Na-O +mp-1210559,Na2Eu2B2O7,-8.3238377321,-2.8511716777,0.0,-0.0179473999,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Eu-Na-O,52.0,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Eu-Na-O +mp-1101981,SrGe(PO4)2,-7.5188250575,-2.7927720565,0.0025455,-0.0130602199,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Ge-O-P-Sr,12.0,AB8C2D_mC24_12_a_2ij_i_d:Ge-O-P-Sr +mp-1020628,SrGe(PO4)2,-7.5213705575,-2.7953175565,0.0,-0.0156057199,GGA,C2/c,AB8C2D_mC48_15_c_4f_f_e:Ge-O-P-Sr,24.0,AB8C2D_mC48_15_a_4f_f_e:Ge-O-P-Sr +mp-14213,Sr4GeP4,-4.6273926503,-0.9569246842,0.0,-0.0194446688,GGA,P-43n,AB4C4_cP72_218_ac_ei_ei:Ge-P-Sr,72.0,AB4C4_cP72_218_ac_ei_ei:Ge-P-Sr +mp-18351,Sr3(GeP2)2,-4.7892918083,-0.7928755754,0.0,-0.0484966694,GGA,P2_1/c,A2B4C3_mP36_14_2e_4e_3e:Ge-P-Sr,36.0,A2B4C3_mP36_14_2e_4e_3e:Ge-P-Sr +mp-1246616,Mg2V3MoS8,-6.48888675,-1.1753490818,0.2117477125,0.2117477125,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mo-S-V,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mo-S-V, expected Mg2V3MoS22 to be Mg2V3MoS8" +mp-1028324,Mg14VMo,-2.4688480062,0.1769942987,0.2047972974,0.2047972974,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-V, expected Mg18VMo to be Mg14VMo" +mp-1028301,Mg14VMo,-2.4580141588,0.1878281462,0.2156311449,0.2156311449,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-V, expected Mg26VMo to be Mg14VMo" +mp-1246614,MgVMoS4,-6.5110601879,-1.0716836596,0.270290694,0.270290694,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mo-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mo-S-V, expected MgVMoS12 to be MgVMoS4" +mp-1021710,Mg6VMo,-3.3731521212,0.3182524387,0.3566225469,0.3566225469,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-V, expected Mg12VMo to be Mg6VMo" +mp-1021776,Mg6VMo,-3.4453218381,0.2460827219,0.28445283,0.28445283,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-V, expected Mg12VMo to be Mg6VMo" +mp-1246406,Mg2VMo3S8,-6.5318015807,-0.9665861925,0.3302657206,0.3302657206,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-V,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-V, expected Mg2VMo3S16 to be Mg2VMo3S8" +mp-1001604,LuTlS2,-5.517814365,-1.7286910149,0.0,-0.0688031422,GGA,R-3m,AB2C_hR12_166_a_c_b:Lu-S-Tl,4.0,AB2C_hR12_166_a_c_b:Lu-S-Tl +mp-1211799,LuTlS2O9,-6.6359183223,-2.0454035683,0.1977506957,0.1977506957,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Lu-O-S-Tl,52.0,AB9C2D_mP52_14_e_9e_2e_e:Lu-O-S-Tl +mp-560622,CaLa2B10O19,-8.5436984634,-3.1481166724,0.0,-0.0154090301,GGA,C2,A10BC2D19_mC64_5_5c_a_c_b9c:B-Ca-La-O,32.0,"Invalid WP multiplicities - A10BC2D19_mC64_5_10c_a_c_b18c:B-Ca-La-O, expected CaLa2B20O37 to be CaLa2B10O19" +mp-6709,Ca3La3(BO3)5,-8.3655474237,-3.4262354822,0.0,-0.0016802066,GGA,P6_3mc,A5B3C3D15_hP52_186_abc_c_c_3cd:B-Ca-La-O,52.0,"Invalid WP multiplicities - A5B3C3D15_hP52_186_2abc_c_c_3cd:B-Ca-La-O, expected CaLaB2O5 to be Ca3La3(BO3)5" +mp-6076,Ca4LaB3O10,-7.9611802744,-3.3798764383,0.0,-0.0141413478,GGA,Cm,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-La-O,18.0,"Invalid WP multiplicities - A3B4CD10_mC36_8_ab_2b_a_2a6b:B-Ca-La-O, expected Ca4LaB3O14 to be Ca4LaB3O10" +mp-1200951,Cs3Bi2(PS4)3,-4.7581792136,-0.9459546487,0.0,-0.0262508851,GGA,P2_1/c,A2B3C3D12_mP80_14_2e_3e_3e_12e:Bi-Cs-P-S,80.0,A2B3C3D12_mP80_14_2e_3e_3e_12e:Bi-Cs-P-S +mp-11605,KTb2CuS4,-5.7897085094000005,-1.9116913488,0.0,-0.0313536506,GGA,Cmcm,ABC4D2_oC32_63_c_c_acf_f:Cu-K-S-Tb,16.0,"Invalid WP multiplicities - ABC4D2_oC32_63_c_c_a2c3f_f:Cu-K-S-Tb, expected KTb2CuS9 to be KTb2CuS4" +mp-1147571,KCu2GeS4,-4.5081174675,-0.6984125163,0.0694183791,0.0694183791,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-K-S,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Ge-K-S +mp-1216197,Y6Cr(SiS7)2,-6.9724521987,-1.8762431402,0.0152523429,0.0152523429,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Cr-S-Si-Y,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Cr-S-Si-Y +mp-1195697,VGa(TeO4)2,-6.7285416919,-1.8975313944,0.0149036703,0.0149036703,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Ga-O-Te-V,48.0,AB8C2D_mP48_14_e_8e_2e_e:Ga-O-Te-V +mp-1211941,K2TiZnO4,-6.4242201784,-2.5288716327,0.0,-0.0042780872,GGA,Pca2_1,A2B4CD_oP64_29_4a_8a_2a_2a:K-O-Ti-Zn,64.0,A2B4CD_oP64_29_4a_8a_2a_2a:K-O-Ti-Zn +mp-1047088,VZn2IrO6,-6.6844899305,-1.6722939567,0.1671796265,0.1671796265,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ir-O-V-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_10e_d_e:Ir-O-V-Zn, expected VZn2IrO20 to be VZn2IrO6" +mp-756805,V3NiO8,-8.0569681208,-2.0065210725,0.1913597317,0.1913597317,GGA+U,P1,AB8C3_aP12_1_a_8a_3a:Ni-O-V,12.0,AB8C3_aP12_1_a_8a_3a:Ni-O-V +mp-755704,V3NiO8,-8.1966111575,-2.1461641092,0.051716695,0.051716695,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Ni-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Ni-O-V +mp-818255,V2NiO7,-7.566728392,-1.7092514121,0.1838683846,0.1838683846,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Ni-O-V,20.0,AB7C2_aP20_2_i_7i_2i:Ni-O-V +mp-1273627,VNiO3,-7.859973411,-1.9191516343,0.057011281,0.057011281,GGA+U,R3,AB3C_hR30_146_2a_2b_2a:Ni-O-V,10.0,AB3C_aP10_1_2a_6a_2a:Ni-O-V +mp-1216522,V3NiO6,-8.485676403,-2.2144776873,0.0477793295,0.0477793295,GGA+U,R3,AB6C3_hR30_146_a_2b_3a:Ni-O-V,10.0,AB6C3_hR30_146_a_2b_3a:Ni-O-V +mp-542151,V2Ni3O8,-7.6481004623,-1.8725826262,0.0,-0.0194935563,GGA+U,Cmce,A3B8C2_oC52_64_ae_2fg_f:Ni-O-V,26.0,A3B8C2_oC52_64_ae_2fg_f:Ni-O-V +mp-1208147,V2NiO8,-7.1381553832,-1.3634773368,0.3575406602,0.3575406602,GGA+U,Pnma,AB8C2_oP44_62_c_2c3d_d:Ni-O-V,44.0,AB8C2_oP44_62_c_2c3d_d:Ni-O-V +mp-766394,V11NiO18,-8.91930954,-2.4278595316,0.0164335203,0.0164335203,GGA+U,P1,AB18C11_aP30_1_a_18a_11a:Ni-O-V,30.0,AB18C11_aP30_1_a_18a_11a:Ni-O-V +mp-677070,V9NiO15,-8.8710089528,-2.4015840737,0.0245053748,0.0245053748,GGA+U,P-1,AB15C9_aP50_2_i_15i_9i:Ni-O-V,50.0,"Invalid WP multiplicities - AB15C9_aP50_2_i_28i_17i:Ni-O-V, expected V17NiO28 to be V9NiO15" +mp-1101714,V4Ni2O9,-8.297399501,-2.1363264316,0.0305658847,0.0305658847,GGA+U,Cc,A2B9C4_mC60_9_2a_9a_4a:Ni-O-V,30.0,"Invalid WP multiplicities - A2B9C4_mC60_9_2a_16a_8a:Ni-O-V, expected V4NiO8 to be V4Ni2O9" +mp-1201984,V5NiO23,-6.5379480884,-0.8492064544,0.6327062784,0.6327062784,GGA+U,P-1,AB23C5_aP58_2_i_23i_5i:Ni-O-V,58.0,AB23C5_aP58_2_i_23i_5i:Ni-O-V +mp-27157,V2Ni2O7,-7.8188746811,-1.9684286376,0.0,-0.0013935418,GGA+U,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Ni-O-V,44.0,A2B7C2_mP44_14_2e_7e_2e:Ni-O-V +mp-756345,V2NiO6,-7.9713429183,-2.0126672419,0.0907991989,0.080789936,GGA+U,P1,AB6C2_aP9_1_a_6a_2a:Ni-O-V,18.0,"Invalid WP multiplicities - AB6C2_aP9_1_a_6a_3a:Ni-O-V, expected V3NiO6 to be V2NiO6" +mp-1100939,V2NiO6,-8.0216694201,-2.0629937437,0.0404726971,0.0304634342,GGA+U,P1,AB6C2_aP81_1_9a_54a_18a:Ni-O-V,81.0,AB6C2_aP81_1_9a_54a_18a:Ni-O-V +mp-1408617,V2NiO6,-1.2807296378,4.6779460386,6.7814124794,6.7714032165,GGA+U,P1,AB6C2_aP9_1_a_6a_2a:Ni-O-V,9.0,AB6C2_aP9_1_a_6a_2a:Ni-O-V +mp-28162,V2NiO6,-8.0435298663,-2.0848541899,0.0186122509,0.008602988,GGA+U,P-1,AB6C2_aP27_2_ai_9i_3i:Ni-O-V,27.0,"Invalid WP multiplicities - AB6C2_aP27_2_ai_10i_3i:Ni-O-V, expected V6Ni3O20 to be V2NiO6" +mp-756506,V2NiO6,-8.0621421172,-2.1034664408,0.0,-0.0100092629,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Ni-O-V,18.0,AB6C2_mC36_15_e_3f_f:Ni-O-V +mp-1012103,V2NiO6,-8.0225430719,-2.0638673956,0.0395990453,0.0295897824,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Ni-O-V,72.0,AB6C2_oP72_61_c_6c_2c:Ni-O-V +mp-1207918,V2Ni2PbO8,-7.559229256,-1.9427490821,0.0,-0.0048388001,GGA+U,I4_1cd,A2B8CD2_tI104_110_b_4b_a_b:Ni-O-Pb-V,52.0,A2B8CD2_tI104_110_b_4b_a_b:Ni-O-Pb-V +mp-36484,V8Ni2O15,-8.6206445224,-2.2833704188,0.0334974084,0.0334974084,GGA+U,C2/c,A2B15C8_mC100_15_f_e7f_4f:Ni-O-V,50.0,"Invalid WP multiplicities - A2B15C8_mC100_15_f_2e26f_14f:Ni-O-V, expected V14NiO27 to be V8Ni2O15" +mp-651710,Ce20Ti11(S22O3)2,-7.4370634653,-2.2864940617,5.37726e-05,5.37726e-05,GGA,Pmmn,A20B6C44D11_oP162_59_4e3g_e2f_5e3f7g_3a2fg:Ce-O-S-Ti,162.0,"Invalid WP multiplicities - A20B6C44D11_oP162_59_15e19g_4e6f_18e11f52g_6a7f7g:Ce-O-S-Ti, expected Ce53Ti24S133O10 to be Ce20Ti11(S22O3)2" +mp-1110949,K2AgSbI6,-2.790851996,-0.9885966723,0.0654707105,0.0654707105,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-K-Sb +mp-1111943,K2CrAuF6,-5.199290273,-2.5376301561,0.1595590977,0.1595590977,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cr-F-K +mp-1114172,KRb2TlI6,-2.612297217,-1.1848663831,0.1245433545,0.1245433545,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-K-Rb-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:I-K-Rb-Tl +mp-1111423,K2TlInF6,-4.608775609,-2.7283757514,0.057665795,0.057665795,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Tl,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Tl +mp-1222712,LaV2BiO8,-8.2303070375,-2.6871555321,0.0056232037,0.0056232037,GGA+U,I-4m2,ABC8D2_tI24_119_a_c_2i_bd:Bi-La-O-V,12.0,"Invalid WP multiplicities - ABC8D2_tI24_119_a_c_6i_bd:Bi-La-O-V, expected LaV2BiO24 to be LaV2BiO8" +mp-1214601,Ba5Re3IO15,-7.8499057285,-2.7414826755,0.0,-0.1151308422,GGA,P6_3cm,A5BC15D3_hP48_185_bc_a_c2d_c:Ba-I-O-Re,48.0,A5BC15D3_hP48_185_bc_a_c2d_c:Ba-I-O-Re +mp-1227185,CaY2BeO5,-8.4010831006,-3.5775943752,0.0533736521,0.0533736521,GGA,Pna2_1,ABC5D2_oP36_33_a_a_5a_2a:Be-Ca-O-Y,36.0,"Invalid WP multiplicities - ABC5D2_oP36_33_a_a_10a_2a:Be-Ca-O-Y, expected CaY2BeO10 to be CaY2BeO5" +mp-1214112,Ca2YBeO5,-7.5515663944,-3.2237300284,0.0393001577,0.0393001577,GGA,Pnma,AB2C5D_oP36_62_c_d_3cd_c:Be-Ca-O-Y,36.0,AB2C5D_oP36_62_c_d_3cd_c:Be-Ca-O-Y +mp-541041,NdAg(PO3)4,-7.6364314268,-2.7134215381,0.0,-0.0100316458,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ag-Nd-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Ag-Nd-O-P +mp-557163,TaPbF7,-6.5363123756,-3.3195593231,0.0,-0.0429386144,GGA,P2_1/m,A7BC_mP18_11_3e2f_e_e:F-Pb-Ta,18.0,"Invalid WP multiplicities - A7BC_mP18_11_5e6f_e_e:F-Pb-Ta, expected TaPbF17 to be TaPbF7" +mp-555105,Ta9Pb12O20F29,-7.3844717447,-3.0182084905,0.011180672,0.011180672,GGA,I4/m,A29B20C12D9_tI140_87_a7h_5h_3h_b2h:F-O-Pb-Ta,70.0,"Invalid WP multiplicities - A29B20C12D9_tI140_87_a26h_17h_8h_b5h:F-O-Pb-Ta, expected Ta21Pb32O68F105 to be Ta9Pb12O20F29" +mp-782011,Gd2Nb2N2O5,-10.97989807,-2.8197809822,0.0729523339,0.0729523339,GGA,P1,A2B2C2D5_aP44_1_8a_8a_8a_20a:Gd-N-Nb-O,44.0,A2B2C2D5_aP44_1_8a_8a_8a_20a:Gd-N-Nb-O +mp-1209532,Sr3Tb2(BO3)4,-8.1491008762,-3.3674321058,0.0,-0.0020814827,GGA,Pna2_1,A4B12C3D2_oP84_33_4a_12a_3a_2a:B-O-Sr-Tb,84.0,A4B12C3D2_oP84_33_4a_12a_3a_2a:B-O-Sr-Tb +mp-578882,SbPb2S2I3,-3.8135293944,-0.7826176239,0.0268805231,0.0268805231,GGA,P2_1/c,A3B2C2D_mP32_14_3e_2e_2e_e:I-Pb-S-Sb,32.0,"Invalid WP multiplicities - A3B2C2D_mP32_14_9e_6e_7e_e:I-Pb-S-Sb, expected SbPb6S7I9 to be SbPb2S2I3" +mp-1219558,SbPb2S2I3,-3.792553685,-0.7616419145000001,0.0478562325,0.0478562325,GGA,Cmc2_1,A3B2C2D_oC32_36_3a_2a_2a_a:I-Pb-S-Sb,16.0,"Invalid WP multiplicities - A3B2C2D_oC32_36_4a_2a_3a_a:I-Pb-S-Sb, expected SbPb2S3I4 to be SbPb2S2I3" +mp-1192848,U8MnS17,-8.204687595,-1.6734205523,0.0,-0.037515771,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Mn-S-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Mn-S-U +mp-1190597,Ba3UMnS6,-6.5889633355,-1.9499588515,0.0,-0.0140279557,GGA,R-3c,A3BC6D_hR66_167_e_b_f_a:Ba-Mn-S-U,22.0,A3BC6D_hR66_167_e_b_f_a:Ba-Mn-S-U +mp-1246655,In11(CN5)2,-5.4818879159,0.2611904,0.3439252788,0.3439252788,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-In-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-In-N +mp-1247257,In(C4N3)2,-8.1171205071,0.3228779742,0.3707135798,0.3707135798,GGA,Cm,A8BC6_mC90_8_4a10b_ab_2a8b:C-In-N,45.0,"Invalid WP multiplicities - A8BC6_mC90_8_4a18b_ab_2a15b:C-In-N, expected In3(C5N4)8 to be In(C4N3)2" +mp-1246048,In(C2N3)3,-8.1727610734,0.1492471147,0.1940929949,0.1940929949,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-In-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-In-N +mp-1247157,In4CN4,-5.8422545386,0.1112321406,0.1994268912,0.1994268912,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-In-N,36.0,AB4C4_oP36_62_c_4c_4c:C-In-N +mp-1212079,InAg3(CN)6,-6.9005590631,0.3894605772,0.4343064574,0.4343064574,GGA,P-31m,A3B6CD6_hP16_162_f_k_b_k:Ag-C-In-N,16.0,A3B6CD6_hP16_162_f_k_b_k:Ag-C-In-N +mp-1246819,InCN2,-7.109033295,0.0543014731,0.1738904871,0.1738904871,GGA,R-3m,ABC2_hR12_166_a_b_c:C-In-N,4.0,ABC2_hR12_166_a_b_c:C-In-N +mp-1247379,InCN2,-7.1537221912,0.0096125769,0.1292015908,0.1292015908,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:C-In-N,8.0,ABC2_hP8_194_c_a_f:C-In-N +mp-1029677,In2(CN2)3,-7.6948546959,-0.1304607425,0.0,-0.1017883152,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-In-N,22.0,A3B2C6_hR66_167_e_c_f:C-In-N +mp-729312,K2InBr5O,-3.0208676014,-1.0559440475,0.5116527270000001,0.5116527270000001,GGA,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Br-In-K-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Br-In-K-O +mp-1211550,Li3Yb2(BO3)3,-7.103659425,-2.788108903,0.006573371,0.006573371,GGA,P2_1/c,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Yb,,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Yb +mp-15363,Li6Yb(BO3)3,-6.7535538079,-2.671894903,0.0,-0.0087867172,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Yb,,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Yb +mp-555910,Li2Yb5B3O13,-6.9928608013,-2.8249905538,0.037902124,0.037902124,GGA,P2_1/m,A3B2C13D5_mP46_11_3e_2e_13e_5e:B-Li-O-Yb,,"Invalid WP multiplicities - A3B2C13D5_mP46_11_6e_3e_26e_10e:B-Li-O-Yb, expected Li3Yb10(B3O13)2 to be Li2Yb5B3O13" +mp-19520,NdNi(BO2)5,-8.3513543276,-2.8565231465,0.0,-0.0129444637,GGA+U,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Nd-Ni-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Nd-Ni-O +mp-1214649,Ba3Eu(BO2)9,-8.3825859661,-3.0545585674,0.0156116076,0.0156116076,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Eu-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Eu-O +mp-1209323,SmTlS2O9,-6.646221115,-2.0405036214,0.1634448769,0.1634448769,GGA,P2_1/c,A9B2CD_mP52_14_9e_2e_e_e:O-S-Sm-Tl,52.0,A9B2CD_mP52_14_9e_2e_e_e:O-S-Sm-Tl +mp-17630,LuCu(WO4)2,-8.5714177917,-2.3955905133,0.0365500099,0.0365500099,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Cu-Lu-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Cu-Lu-O-W +mp-1037428,YMg30CdO32,-6.3005880558000005,-2.9616536631,0.0779865605,0.0779865605,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Y, expected YMg110CdO72 to be YMg30CdO32" +mp-1037436,YMg30CdO32,-6.2968085044,-2.9578741117,0.0817661119,0.0817661119,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Y, expected YMg90CdO80 to be YMg30CdO32" +mp-1028030,YMg14Cd,-1.8859639331,-0.0238838348,0.0468450893,0.0468450893,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Y, expected YMg18Cd to be YMg14Cd" +mp-1028024,YMg14Cd,-1.8822071712,-0.0201270729,0.0506018512,0.0506018512,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Y, expected YMg26Cd to be YMg14Cd" +mp-1096165,Y2MgCd,-1.693432225,2.1705957842,2.403857315,2.403857315,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mg-Y,4.0,ABC2_oI8_71_a_b_e:Cd-Mg-Y +mp-1187710,Y2MgCd,-4.089886305,-0.2258582958,0.007403235,0.007403235,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Mg-Y,4.0,ABC2_cF16_225_a_b_c:Cd-Mg-Y +mp-865512,YMgCd2,-2.796897425,-0.3187647542,0.0,-0.0630706334,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Y,4.0,A2BC_cF16_225_c_a_b:Cd-Mg-Y +mp-1035838,YMg14CdO16,-6.2691716066,-2.8647872018,0.1604529459,0.1604529459,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Y, expected YMg18CdO20 to be YMg14CdO16" +mp-1035839,YMg14CdO16,-6.2789016787,-2.874517274,0.1507228737,0.1507228737,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Y, expected YMg30CdO32 to be YMg14CdO16" +mp-1022632,YMg6Cd,-2.1694687338,-0.0455885871,0.0698238904,0.0698238904,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Y, expected YMg12Cd to be YMg6Cd" +mp-1022650,YMg6Cd,-2.168126995,-0.0442468483,0.0711656291,0.0711656291,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Y, expected YMg12Cd to be YMg6Cd" +mp-1031915,YMg6CdO8,-6.2670223862,-2.7317379573,0.2647020387,0.2647020387,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Y, expected YMg6CdO12 to be YMg6CdO8" +mp-1031942,YMg6CdO8,-6.2331897894,-2.6979053604,0.2985346356,0.2985346356,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Y, expected YMg6CdO12 to be YMg6CdO8" +mp-1205611,Ba2UCrO6,-8.729495519,-3.2832415562,0.0,-0.0641723546,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-U +mp-1211876,KHf6CCl15,-6.434328621,-2.1817091201,0.0,-0.0217145864,GGA,Pmma,AB15C6D_oP92_51_af_efgijk5l_2fi2l_k:C-Cl-Hf-K,92.0,AB15C6D_oP92_51_af_efgijk5l_2fi2l_k:C-Cl-Hf-K +mp-12876,ThPS,-7.37212191,-1.7175850355,0.0,-0.0010644556,GGA,P4/nmm,ABC_tP6_129_a_c_c:P-S-Th,6.0,ABC_tP6_129_a_c_c:P-S-Th +mp-1208352,Th2PS2,-4.184572968,1.5182107801,3.531530155,3.531530155,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:P-S-Th,5.0,AB2C2_tP5_123_a_g_g:P-S-Th +mp-14249,Th(PS3)2,-5.9712543122,-1.1869029273,0.0,-0.0683153079,GGA,P4_2/m,A2B6C_tP18_84_j_jk_e:P-S-Th,18.0,"Invalid WP multiplicities - A2B6C_tP18_84_j_j2k_e:P-S-Th, expected Th(PS5)2 to be Th(PS3)2" +mp-1207155,Th2P2S,-5.913601686,0.04455259,1.7423632715,1.7423632715,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:P-S-Th,5.0,A2BC2_tP5_123_g_a_g:P-S-Th +mp-572864,Rb5Th(PS4)3,-5.0361594996,-1.3126435694,0.0,-0.035667504,GGA,P2_1/c,A3B5C12D_mP84_14_3e_5e_12e_e:P-Rb-S-Th,84.0,"Invalid WP multiplicities - A3B5C12D_mP84_14_9e_16e_46e_e:P-Rb-S-Th, expected Rb16ThP9S46 to be Rb5Th(PS4)3" +mp-1080399,ThB2Rh2C,-8.1257286433,-0.6707414726,0.0,-0.0074038546,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Th,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Th +mp-8597,ScB2C,-7.8054957166,-0.5755161818,0.0536124891,0.0536124891,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Sc,32.0,A2BC_tP32_135_2h_h_g:B-C-Sc +mp-27693,Sc(BC)2,-8.0880715105,-0.4583547842,0.0449481525,0.0449481525,GGA,Pbam,A2B2C_oP20_55_2g_2g_h:B-C-Sc,20.0,A2B2C_oP20_55_2g_2g_h:B-C-Sc +mp-1232372,ScBC,-8.008296305,-0.5947875156,0.0011429697,0.0011429697,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Sc,6.0,ABC_hP6_194_c_d_a:B-C-Sc +mp-10343,Sc2BC2,-8.12970413,-0.5693719368,0.0,-0.0323111405,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:B-C-Sc,5.0,AB2C2_tI10_139_a_e_e:B-C-Sc +mp-1208224,Th2Sc(B2C)3,-8.0068900367,-0.5966789777,0.0,-0.0379894842,GGA,P6/mmm,A6B3CD2_hP12_191_j_f_b_d:B-C-Sc-Th,12.0,A6B3CD2_hP12_191_j_f_b_d:B-C-Sc-Th +mp-1219411,Sc4BC4,-8.036999317,-0.3787848547,0.1358487953,0.1358487953,GGA,P4/mmm,AB4C4_tP27_123_ag_4g2h_2g4h:B-C-Sc,27.0,AB4C4_tP27_123_a2g_8g2h_2g8h:B-C-Sc +mp-1220988,NaTl3S2,-3.4360175733,-0.6554584955,0.0358803931,0.0358803931,GGA,Pmc2_1,AB2C3_oP12_26_a_ab_a2b:Na-S-Tl,12.0,AB2C3_oP12_26_a_ab_a2b:Na-S-Tl +mp-7853,NaTl3(SO3)2,-5.435271635,-1.5716477404,0.1142861036,0.1142861036,GGA,P-3m1,AB6C2D3_hP12_164_a_i_d_bd:Na-O-S-Tl,12.0,AB6C2D3_hP12_164_a_i_d_bd:Na-O-S-Tl +mp-610469,CeBiS2O,-6.650050623,-2.051417277,0.0308416757,0.0308416757,GGA,P4/nmm,ABCD2_tP10_129_c_c_a_2c:Bi-Ce-O-S,10.0,"Invalid WP multiplicities - ABCD2_tP10_129_c_c_a_4c:Bi-Ce-O-S, expected CeBiS4O to be CeBiS2O" +mp-1220466,Nb4Fe(CS2)2,-8.5672570691,-0.9419505398,0.0317076256,0.0317076256,GGA,P2/m,A2BC4D4_mP11_10_bd_c_mn_mn:C-Fe-Nb-S,11.0,"Invalid WP multiplicities - A2BC4D4_mP11_10_ce_b_2m2n_2m2n:C-Fe-Nb-S, expected Nb8Fe(CS4)2 to be Nb4Fe(CS2)2" +mp-1214840,Ba2ScV3O11,-8.3450398804,-2.9429391146,0.0225406076,0.0225406076,GGA+U,P2_1/c,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Sc-V,68.0,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Sc-V +mp-769458,Li6Ti(BO3)3,-7.0574705801,-2.6412914785,0.0961011892,0.0961011892,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Ti,76.0,"Invalid WP multiplicities - A3B6C9D_mP76_14_9e_23e_33e_e:B-Li-O-Ti, expected Li23Ti(B3O11)3 to be Li6Ti(BO3)3" +mp-754445,Li2Ti(BO3)2,-7.84143253,-2.8639549337,0.0852462301,0.0852462301,GGA,P1,A2B2C6D_aP22_1_4a_4a_12a_2a:B-Li-O-Ti,22.0,A2B2C6D_aP22_1_4a_4a_12a_2a:B-Li-O-Ti +mp-770749,Li2Ti(BO3)2,-7.8524152123,-2.874937616,0.0742635479,0.0742635479,GGA,P1,A2B2C6D_aP44_1_8a_8a_24a_4a:B-Li-O-Ti,44.0,A2B2C6D_aP44_1_8a_8a_24a_4a:B-Li-O-Ti +mp-755783,Li2Ti(BO3)2,-7.8610465827,-2.8835689864000003,0.0656321774,0.0656321774,GGA,P-1,A2B2C6D_aP22_2_2i_2i_6i_i:B-Li-O-Ti,22.0,"Invalid WP multiplicities - A2B2C6D_aP22_2_3i_3i_11i_i:B-Li-O-Ti, expected Li3TiB3O11 to be Li2Ti(BO3)2" +mp-759926,Li2Ti(BO3)2,-7.8774291948,-2.8999515985,0.0492495654,0.0492495654,GGA,P2_1/c,A2B2C6D_mP44_14_2e_2e_6e_e:B-Li-O-Ti,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_14_7e_7e_21e_e:B-Li-O-Ti, expected Li7Ti(BO3)7 to be Li2Ti(BO3)2" +mp-770209,Li3Ti(BO3)2,-7.45043542,-2.7286707178,0.1023171861,0.1023171861,GGA,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-Ti,24.0,"Invalid WP multiplicities - A2B3C6D_aP24_2_3i_5i_11i_i:B-Li-O-Ti, expected Li5TiB3O11 to be Li3Ti(BO3)2" +mp-770213,Li3Ti(BO3)2,-7.4530470671,-2.7312823649,0.099705539,0.099705539,GGA,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-Ti,24.0,"Invalid WP multiplicities - A2B3C6D_aP24_2_3i_5i_11i_i:B-Li-O-Ti, expected Li5TiB3O11 to be Li3Ti(BO3)2" +mp-770194,Li3Ti(BO3)2,-7.476598820199999,-2.7548341181,0.0761537858,0.0761537858,GGA,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-Ti,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_11e_21e_e:B-Li-O-Ti, expected Li11Ti(BO3)7 to be Li3Ti(BO3)2" +mp-1212827,DyAl3(BO3)4,-8.348361632,-3.2522943346,0.0056701165,0.0056701165,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Dy-O,20.0,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Dy-O +mp-1201129,DyAlB14,-6.5291576059,-0.1626671396,0.0509851865,0.0509851865,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Dy,32.0,AB14C_oI64_74_a_3i2j_e:Al-B-Dy +mp-728972,K2Si3PbO10,-6.8902457528,-2.4104778674,0.088729587,0.088729587,GGA,P2_1/c,A2B10CD3_mP64_14_2e_10e_e_3e:K-O-Pb-Si,64.0,A2B10CD3_mP64_14_2e_10e_e_3e:K-O-Pb-Si +mp-643141,K2Si2Pb2O,-3.8498962186,-0.2151223893,0.6431523039,0.6431523039,GGA,P6/mmm,A2BC2D2_hP7_191_c_a_d_e:K-O-Pb-Si,7.0,A2BC2D2_hP7_191_c_a_d_e:K-O-Pb-Si +mp-1199100,Al2Tl3(PO4)3,-7.1372439701,-2.6282813124,0.0041528899,0.0041528899,GGA,Pna2_1,A2B12C3D3_oP80_33_2a_12a_3a_3a:Al-O-P-Tl,80.0,"Invalid WP multiplicities - A2B12C3D3_oP80_62_d_2c8d_cd_cd:Al-O-P-Tl, expected Al2Tl3(PO6)3 to be Al2Tl3(PO4)3" +mp-555644,Al2Tl3(PO4)3,-7.1323388751,-2.6233762174,0.0090579849,0.0090579849,GGA,Pnma,A2B12C3D3_oP80_62_d_2c5d_cd_cd:Al-O-P-Tl,80.0,"Invalid WP multiplicities - A2B12C3D3_oP80_62_d_8c34d_3c4d_4c4d:Al-O-P-Tl, expected Al2Tl12P11O76 to be Al2Tl3(PO4)3" +mp-1246241,Fe4RuN4,-8.4324011239,0.0676507739,0.3473279628,0.3473279628,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Fe-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Fe-N-Ru +mp-1213535,FeRu(NF)6,-5.2096483023,0.449799348,1.7438181426,1.7438181426,GGA+U,Pa-3,A6BC6D_cP56_205_d_a_d_b:F-Fe-N-Ru,56.0,A6BC6D_cP56_205_d_a_d_b:F-Fe-N-Ru +mp-1112059,K2YAuCl6,-4.305599971,-2.0003628743,0.1394331618,0.1394331618,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-Cl-K-Y +mp-1112276,K2AgRuF6,-4.808825652,-2.2291626278,0.0421440023,0.0421440023,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ru,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Ru +mp-1197059,LiSn(H2N)3,-5.09625726,-0.4340449176,0.0,-0.0054216686,GGA,P2_1/c,A6BC3D_mP44_14_6e_e_3e_e:H-Li-N-Sn,44.0,A6BC3D_mP44_14_6e_e_3e_e:H-Li-N-Sn +mp-1245978,LiSnN,-4.9881194142,-0.2364561986,0.0921207233,0.0921207233,GGA,Pnma,ABC_oP12_62_c_c_c:Li-N-Sn,12.0,ABC_oP12_62_c_c_c:Li-N-Sn +mp-1245983,LiSnN,-5.0561092667,-0.3044460511,0.0241308708,0.0241308708,GGA,P6_3mc,ABC_hP6_186_b_b_a:Li-N-Sn,6.0,ABC_hP6_186_b_b_a:Li-N-Sn +mp-1245984,LiSnN,-4.7692116933,-0.0175484778,0.3110284442,0.3110284442,GGA,P-6m2,ABC_hP3_187_c_a_b:Li-N-Sn,3.0,ABC_hP3_187_c_a_b:Li-N-Sn +mp-1029294,LiSn2N3,-6.0206399008,-0.1977146756,0.0703935092,0.0703935092,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Sn,12.0,AB3C2_oC24_36_a_ab_b:Li-N-Sn +mp-1029385,Li2SnN2,-5.294373794,-0.3942923063,0.0,-0.0162709836,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-Sn,5.0,A2B2C_hP5_164_d_d_a:Li-N-Sn +mp-1209685,Pr2P2OsO,-6.02305641,0.0706890341,1.8998753867,1.8998753867,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:O-Os-P-Pr,6.0,ABC2D2_tP6_123_a_b_g_g:O-Os-P-Pr +mp-1080083,PrPOsO,-8.5807090075,-1.9886429068,0.0,-0.0501236343,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:O-Os-P-Pr,8.0,ABCD_tP8_129_a_b_c_c:O-Os-P-Pr +mp-31288,La5Pb3I,-4.9463205633000005,-0.8028379983,0.0,-0.0229393606,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:I-La-Pb,18.0,"Invalid WP multiplicities - AB5C3_hP18_193_b_d2g_g:I-La-Pb, expected La8Pb3I to be La5Pb3I" +mp-1227132,La3Pb3I13O40,-5.4968048576,-1.3787154758,0.0,-0.0067269958,GGA,R3c,A13B3C40D3_hR354_161_a4b_b_a13b_b:I-La-O-Pb,118.0,A13B3C40D3_hR354_161_a4b_b_a13b_b:I-La-O-Pb +mp-31317,La3PbI3,-4.6087449057,-1.331492415,0.0,-0.0087049976,GGA,I4_132,A3B3C_cI56_214_h_g_a:I-La-Pb,28.0,A3B3C_cI56_214_h_g_a:I-La-Pb +mp-24149,LiCe2HO3,-7.37245519,-2.7998989964,0.0349374437,0.0349374437,GGA,Immm,A2BCD3_oI14_71_e_c_a_de:Ce-H-Li-O,7.0,A2BCD3_oI14_71_e_c_a_de:Ce-H-Li-O +mp-1208487,Tb3BCl3,-5.5037404989,-1.7711547774,0.0,-0.0833310582,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Cl-Tb,28.0,AB3C3_cI56_214_a_h_g:B-Cl-Tb +mp-1199026,Tb4BClO7,-8.4675139731,-3.7219590646,0.0,-0.0654085117,GGA,P2_1/c,ABC7D4_mP52_14_e_e_7e_4e:B-Cl-O-Tb,52.0,ABC7D4_mP52_14_e_e_7e_4e:B-Cl-O-Tb +mp-1210094,NaAs4IO6,-5.8607805742,-1.6014057799,0.0042947071,0.0042947071,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-I-Na-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-I-Na-O +mp-1228593,Ba6Y(ReO6)3,-8.042322923,-2.8868122405000003,0.0,-0.0447264266,GGA,C2/m,A6B18C3D_mC112_12_2i2j_2i8j_ij_g:Ba-O-Re-Y,56.0,"Invalid WP multiplicities - A6B18C3D_mC112_12_4i4j_4i28j_2i2j_g:Ba-O-Re-Y, expected Ba12Y(ReO10)6 to be Ba6Y(ReO6)3" +mp-6430,Ba2YReO6,-8.274656144,-3.0317480994,0.0,-0.0193517732,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Y +mp-10811,NaSr4(BN2)3,-6.8028374657,-1.2215771822,0.0,-0.0547961725,GGA,Im-3m,A3B6CD4_cI28_229_b_e_a_c:B-N-Na-Sr,14.0,A3B6CD4_cI28_229_b_e_a_c:B-N-Na-Sr +mp-1245463,NaSrN,-4.0806993275,-0.2978614369,0.171557062,0.171557062,GGA,Pnma,ABC_oP12_62_c_c_c:N-Na-Sr,12.0,ABC_oP12_62_c_c_c:N-Na-Sr +mp-1246217,NaSrN,-3.9931487017,-0.2103108111,0.2591076878,0.2591076878,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Sr,6.0,ABC_hP6_186_b_b_a:N-Na-Sr +mp-1247098,Sm3Mg2WS8,-6.2526441193,-1.7236407143,0.2093152612,0.2093152612,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sm-W,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sm-W, expected Sm3Mg2WS22 to be Sm3Mg2WS8" +mp-1246776,SmMg2W3S8,-6.7306261243000005,-1.0245449914,0.4338663849,0.4338663849,GGA,C2/m,A2B8CD3_mC28_12_i_2ij_c_ae:Mg-S-Sm-W,14.0,"Invalid WP multiplicities - A2B8CD3_mC28_12_i_4ij_a_de:Mg-S-Sm-W, expected SmMg2(WS4)3 to be SmMg2W3S8" +mp-1246973,SmMgWS4,-6.4671357779,-1.3495935089,0.346090167,0.346090167,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sm-W,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sm-W, expected SmMgWS12 to be SmMgWS4" +mp-1233698,Tb4Mg(PO4)4,-8.1048509056,-3.2673319513,0.1621493637,0.1621493637,GGA,P1,AB16C4D4_aP25_1_a_16a_4a_4a:Mg-O-P-Tb,25.0,AB16C4D4_aP25_1_a_16a_4a_4a:Mg-O-P-Tb +mp-1234118,Tb4Mg(PO4)4,-8.0182927704,-3.1807738161,0.2487074989,0.2487074989,GGA,P1,AB16C4D4_aP25_1_a_16a_4a_4a:Mg-O-P-Tb,25.0,AB16C4D4_aP25_1_a_16a_4a_4a:Mg-O-P-Tb +mp-1198541,CaU2Se5,-6.7999156325,-1.5414184715,0.111940997,0.111940997,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ca-Se-U,32.0,AB5C2_oP32_62_c_3cd_d:Ca-Se-U +mp-668113,CaU(SeO4)2,-6.4597091104,-1.4711805658,1.0238588629,1.0100660408,GGA,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ca-O-Se-U,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_15i_4i_i:Ca-O-Se-U, expected CaUSe4O15 to be CaU(SeO4)2" +mp-554227,CaU(SeO4)2,-7.4835679733,-2.4950394287,0.0,-0.0137928221,GGA,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ca-O-Se-U,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_15i_4i_i:Ca-O-Se-U, expected CaUSe4O15 to be CaU(SeO4)2" +mp-8753,K4HgP2,-2.5908321857,-0.3662777334,0.0,-0.0463004815,GGA,R-3m,AB4C2_hR21_166_a_2c_c:Hg-K-P,7.0,AB4C2_hR21_166_a_2c_c:Hg-K-P +mp-568855,K2Hg(PSe3)2,-3.9036113439,-0.7830156949,0.0,-0.0205239739,GGA,P2_1/c,AB2C2D6_mP44_14_e_2e_2e_6e:Hg-K-P-Se,44.0,"Invalid WP multiplicities - AB2C2D6_mP44_14_e_6e_4e_21e:Hg-K-P-Se, expected K6HgP4Se21 to be K2Hg(PSe3)2" +mp-1195672,Rb2U3MnO11,-8.9453464429,-3.0976470729,0.1238981009,0.1238981009,GGA+U,R-3c,AB11C2D3_hR102_167_b_cef_c_e:Mn-O-Rb-U,34.0,AB11C2D3_hR102_167_b_cef_c_e:Mn-O-Rb-U +mp-1247305,SmMg2V3S8,-6.3192547036,-1.4433644621,0.1395252689,0.1395252689,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Sm-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c2h_a_d:Mg-S-Sm-V, expected SmMg2V3S16 to be SmMg2V3S8" +mp-1247050,Sm3Mg2VS8,-6.1060275557,-1.8537544479,0.1206943125,0.1206943125,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Sm-V,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c3h_d_a:Mg-S-Sm-V, expected Sm3Mg2VS22 to be Sm3Mg2VS8" +mp-1247075,SmMgVS4,-6.1981653229,-1.6340836482,0.1445855975,0.1445855975,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Sm-V,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Sm-V, expected SmMgVS12 to be SmMgVS4" +mp-1207739,TmTl(WO4)2,-8.5416647117,-2.5143106517,0.0,-0.0331533899,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Tl-Tm-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Tl-Tm-W +mp-1191022,CsY(MoO4)2,-8.2582800467,-2.5393897637,0.025798275,-0.0015752108,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Y,24.0,AB2C8D_mP24_13_e_g_4g_f:Cs-Mo-O-Y +mp-1096960,CsY(MoO4)2,-8.2583908646,-2.5395005816,0.0256874571,-0.0016860287,GGA+U,Pccm,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Y,24.0,AB2C8D_oP24_49_e_q_2qr_f:Cs-Mo-O-Y +mp-1213231,CsY(MoO4)2,-8.284078321700001,-2.5651880387,0.0,-0.0273734858,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:Cs-Mo-O-Y,12.0,AB2C8D_hP12_164_a_d_di_b:Cs-Mo-O-Y +mp-1195460,MnBi2(IO)8,-3.8298829216,-0.2402284983,0.7786244575,0.7786244575,GGA+U,P2_1/c,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mn-O,38.0,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mn-O +mp-1204173,MnBi2(IO)8,-4.1612628226,-0.5716083994,0.4472445565,0.4472445565,GGA+U,P2_1/c,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mn-O,38.0,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mn-O +mp-663540,Li2U(MoO5)2,-5.0877132233,0.6634496484,3.2131265213,3.2015294204,GGA+U,P-1,A2B2C10D_aP15_2_i_i_5i_a:Li-Mo-O-U,15.0,"Invalid WP multiplicities - A2B2C10D_aP15_2_i_i_10i_a:Li-Mo-O-U, expected Li2U(MoO10)2 to be Li2U(MoO5)2" +mp-560793,Li2U(MoO5)2,-8.3008397447,-2.5496768729,0.0,-0.0115971009,GGA+U,P-1,A2B2C10D_aP15_2_i_i_5i_a:Li-Mo-O-U,15.0,"Invalid WP multiplicities - A2B2C10D_aP15_2_i_i_10i_a:Li-Mo-O-U, expected Li2U(MoO10)2 to be Li2U(MoO5)2" +mp-560160,Li2U5MoO19,-9.349391639,-3.2342941795,0.0316031701,0.0316031701,GGA+U,P2_1/c,A2BC19D5_mP108_14_2e_e_19e_ab4e:Li-Mo-O-U,108.0,"Invalid WP multiplicities - A2BC19D5_mP108_14_6e_e_74e_2a2d13e:Li-Mo-O-U, expected Li6U15MoO74 to be Li2U5MoO19" +mp-657233,EuTlPS4,-6.133395965,-1.1935749763,0.0,-0.0206604946,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Eu-P-S-Tl,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_5c5d_c:Eu-P-S-Tl, expected EuTlPS15 to be EuTlPS4" +mp-1204935,Dy2Nb2S7O30,-7.310068357,-2.2668489871,0.0092591693,0.0092591693,GGA,P-42_1m,A2B2C30D7_tP82_113_e_e_5e5f_cef:Dy-Nb-O-S,82.0,A2B2C30D7_tP82_113_e_e_5e5f_cef:Dy-Nb-O-S +mp-5992,LaB2Ir2C,-8.1085397933,-0.5751523768,0.0,-0.0202323935,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ir-La,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ir-La +mp-1192193,Dy8Rh5C12,-7.7662116624,-0.3894188632,0.0529859522,0.0529859522,GGA,C2/m,A12B8C5_mC50_12_6i_4i_a2i:C-Dy-Rh,25.0,A12B8C5_mC50_12_6i_4i_a2i:C-Dy-Rh +mp-15856,DyRh3C,-7.690970076,-0.5052948875000001,0.0,-0.0582239335,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Dy-Rh,5.0,ABC3_cP5_221_b_a_c:C-Dy-Rh +mp-571041,DyB2Rh2C,-7.5776228167,-0.5904808810000001,0.0174278162,0.0174278162,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Dy-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Dy-Rh +mp-1113035,Cs2KPrI6,-3.396573429,-1.7443426744,0.0047192176,0.0047192176,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Pr,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-K-Pr +mp-1112784,Cs2KCeI6,-3.499781297,-1.7323322024,0.0014917675,0.0014917675,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-K,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Cs-I-K +mp-1215184,ZrTiCN,-9.8245595625,-1.3224712965,0.0612245213,0.0612245213,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Ti-Zr,4.0,ABCD_hR12_160_a_a_a_a:C-N-Ti-Zr +mp-1215180,ZrTiN2,-10.0707368525,-1.7916912283,0.0868849375,0.0868849375,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:N-Ti-Zr,4.0,A2BC_tP4_123_ad_b_c:N-Ti-Zr +mp-1215188,ZrTiN2,-10.10366217,-1.8246165458,0.05395962,0.05395962,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Ti-Zr,4.0,A2BC_hR12_166_c_a_b:N-Ti-Zr +mp-1215174,ZrTiC2,-9.4313984475,-0.7062675396,0.1002820325,0.1002820325,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:C-Ti-Zr,4.0,A2BC_tP4_123_ad_b_c:C-Ti-Zr +mp-1215182,ZrTiC2,-9.4681919625,-0.7430610546,0.0634885175,0.0634885175,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Ti-Zr,4.0,A2BC_hR12_166_c_a_b:C-Ti-Zr +mp-759330,Rb4Ge9(H3N)5,-4.5888842593,-0.4039523719,0.0,-0.0955648249,GGA,P2_1/c,A9B15C5D4_mP132_14_9e_15e_5e_4e:Ge-H-N-Rb,132.0,"Invalid WP multiplicities - A9B15C5D4_mP132_14_21e_51e_13e_7e:Ge-H-N-Rb, expected Rb7Ge21H51N13 to be Rb4Ge9(H3N)5" +mp-1029403,RbGe2N3,-6.0887319025,-0.2160528096,0.0677692061,0.0677692061,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Ge-N-Rb,12.0,A2B3C_oC24_36_b_ab_a:Ge-N-Rb +mp-1112032,K2HgAsI6,-2.529965517,-0.9275860406,0.0733395496,0.0733395496,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Hg-I-K +mp-1235157,K2LiLa4O7,-7.0959745743,-2.91736242,0.2395374776,0.2395374776,GGA,C2,A2B4CD7_mC28_5_2a_2bc_b_a3c:K-La-Li-O,14.0,"Invalid WP multiplicities - A2B4CD7_mC28_5_2a_2bc_b_a5c:K-La-Li-O, expected K2LiLa4O11 to be K2LiLa4O7" +mp-1235048,K2LiLa4O7,-7.1057065621,-2.9270944079000003,0.2298054897,0.2298054897,GGA,P3,A2B4CD7_hP14_143_ab_ab2c_a_c2d:K-La-Li-O,14.0,"Invalid WP multiplicities - A2B4CD7_hP14_143_ab_ab2c_a_c5d:K-La-Li-O, expected K2LiLa4O16 to be K2LiLa4O7" +mp-1223462,KCeTi2O6,-8.595776296,-3.3443158557,0.0705524918,0.0705524918,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Ce-K-O-Ti,10.0,ABC6D2_cF40_225_a_b_d_c:Ce-K-O-Ti +mp-1222804,LaY3Ti4O14,-9.4365178782,-3.7469255841,0.0213580609,0.0213580609,GGA,R-3m,AB14C4D3_hR66_166_a_c2h_be_d:La-O-Ti-Y,22.0,"Invalid WP multiplicities - AB14C4D3_hR66_166_a_c9h_be_d:La-O-Ti-Y, expected LaY3Ti4O56 to be LaY3Ti4O14" +mp-1223094,La3YTi4O14,-9.2887589123,-3.7382997099,0.0410075791,0.0410075791,GGA,R-3m,A3B14C4D_hR66_166_d_c2h_be_a:La-O-Ti-Y,22.0,"Invalid WP multiplicities - A3B14C4D_hR66_166_d_c9h_be_a:La-O-Ti-Y, expected La3YTi4O56 to be La3YTi4O14" +mp-1222876,LaYTi2O6,-9.300620668,-3.6132612161,0.054698672,0.054698672,GGA,Pmc2_1,AB6C2D_oP20_26_a_ab2c_c_b:La-O-Ti-Y,20.0,"Invalid WP multiplicities - AB6C2D_oP20_26_a_ab3c_c_b:La-O-Ti-Y, expected LaYTi2O8 to be LaYTi2O6" +mp-1222863,LaY3Ti4O12,-9.3731261445,-3.6092434922,0.0597472596,0.0597472596,GGA,Pm,AB12C4D3_mP20_6_a_2a2b4c_2c_a2b:La-O-Ti-Y,20.0,"Invalid WP multiplicities - AB12C4D3_mP20_6_a_2a2b8c_4c_a2b:La-O-Ti-Y, expected LaY3Ti8O20 to be LaY3Ti4O12" +mp-1079257,YMg(NiH)4,-4.755156625,-0.2793364187,0.1056261008,0.1056261008,GGA,F-43m,A4BC4D_cF40_216_e_a_e_c:H-Mg-Ni-Y,10.0,A4BC4D_cF40_216_e_a_e_c:H-Mg-Ni-Y +mp-554274,CsMoIO6,-6.4149259069,-1.6488646737,0.0,-0.0001326675,GGA+U,Pna2_1,ABCD6_oP36_33_a_a_a_6a:Cs-I-Mo-O,36.0,ABCD6_oP36_33_a_a_a_6a:Cs-I-Mo-O +mp-1195677,ThTeSO7,-7.475600912,-2.5435574131000003,0.0,-0.0051229165,GGA,P2_1/c,A7BCD_mP40_14_7e_e_e_e:O-S-Te-Th,40.0,A7BCD_mP40_14_7e_e_e_e:O-S-Te-Th +mp-667579,Ag2P2PbO7,-4.7747090288,-0.2054436064,1.7841441050000002,1.7841441050000002,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Ag-O-P-Pb,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_11i_2i_i:Ag-O-P-Pb, expected Ag3P2PbO11 to be Ag2P2PbO7" +mp-557644,Ag2P2PbO7,-6.5566298338,-1.9873644114,0.0022233,0.0022233,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Ag-O-P-Pb,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_11i_2i_i:Ag-O-P-Pb, expected Ag3P2PbO11 to be Ag2P2PbO7" +mp-17699,Er2Cu(B2O5)2,-8.2894606094,-3.0295136397,0.0137089031,0.0137089031,GGA,P2_1/c,A4BC2D10_mP34_14_2e_a_e_5e:B-Cu-Er-O,34.0,"Invalid WP multiplicities - A4BC2D10_mP34_14_2e_a_e_6e:B-Cu-Er-O, expected Er2Cu(BO3)4 to be Er2Cu(B2O5)2" +mp-1202453,Ba8U3(HgS6)3,-5.7491636666,-1.8556271588,0.0,-0.0684547774,GGA,P-6,A8B3C18D3_hP96_174_8k_3j_12j6k_3j:Ba-Hg-S-U,96.0,A8B3C18D3_hP96_174_8k_3j_12j6k_3j:Ba-Hg-S-U +mp-18002,KLi3GeO4,-5.7096377722,-2.2377544114,0.0,-0.0230281177,GGA,P-1,ABC3D4_aP36_2_2i_2i_6i_8i:Ge-K-Li-O,36.0,"Invalid WP multiplicities - ABC3D4_aP36_2_2i_2i_8i_8i:Ge-K-Li-O, expected KLi4GeO4 to be KLi3GeO4" +mp-1211905,K3LiGe4,-3.2238673012,-0.2573384103,0.0,-0.0276655907,GGA,Pnma,A4B3C_oP32_62_2cd_cd_a:Ge-K-Li,32.0,A4B3C_oP32_62_2cd_cd_a:Ge-K-Li +mp-557473,K5LiGe2O7,-5.5168127818,-2.0945598291,0.0,-0.0396176447,GGA,P2_1/c,A2B5CD7_mP60_14_2e_5e_e_7e:Ge-K-Li-O,60.0,"Invalid WP multiplicities - A2B5CD7_mP60_14_4e_17e_e_21e:Ge-K-Li-O, expected K17LiGe4O21 to be K5LiGe2O7" +mp-1213708,Cs2Li4UO6,-6.3208678992,-2.4440957078,0.1354490531,0.1354490531,GGA,P-3m1,A2B4C6D_hP13_164_d_be_i_a:Cs-Li-O-U,13.0,A2B4C6D_hP13_164_d_be_i_a:Cs-Li-O-U +mp-1216866,TlV(CrS2)4,-6.9532683,-1.0139584406,0.0056982156,0.0056982156,GGA,Cm,A4B8CD_mC28_8_4a_8a_a_a:Cr-S-Tl-V,14.0,A4B8CD_mC28_8_4a_8a_a_a:Cr-S-Tl-V +mp-1216877,Tl2V9CrS16,-6.9566262261,-1.1596017167,0.020008754,0.020008754,GGA,P2/m,AB16C2D9_mP28_10_a_4m4n_ce_h2m2n:Cr-S-Tl-V,28.0,"Invalid WP multiplicities - AB16C2D9_mP28_10_a_8m4n_ch_e4m2n:Cr-S-Tl-V, expected Tl2V13CrS24 to be Tl2V9CrS16" +mp-9630,TlCrS2,-5.8958524175,-0.8237048299,0.0163266698,0.0163266698,GGA,R3m,AB2C_hR12_160_a_2a_a:Cr-S-Tl,4.0,AB2C_hR12_160_a_2a_a:Cr-S-Tl +mp-541823,TlCr5S8,-6.9539183829,-0.9739555663,0.0,-0.0085159814,GGA,C2/m,A5B8C_mC28_12_a2i_4i_d:Cr-S-Tl,14.0,A5B8C_mC28_12_a2i_4i_c:Cr-S-Tl +mp-554140,TlV3(CrS4)2,-6.9550940907,-1.0970901456,0.0139686903,0.0139686903,GGA,C2/m,A2B8CD3_mC28_12_i_4i_a_di:Cr-S-Tl-V,14.0,"Invalid WP multiplicities - A2B8CD3_mC28_12_i_7i_a_ci:Cr-S-Tl-V, expected TlV3(CrS7)2 to be TlV3(CrS4)2" +mp-1216900,TlV2Cr3S8,-6.941412605,-1.0427557027,0.0226020433,0.0226020433,GGA,Cm,A3B8CD2_mC28_8_3a_8a_a_2a:Cr-S-Tl-V,14.0,A3B8CD2_mC28_8_3a_8a_a_2a:Cr-S-Tl-V +mp-542443,TlCr3S5,-6.7278286650000005,-0.949602566,0.0,-0.0064894841,GGA,C2/m,A3B5C_mC36_12_ac2i_5i_i:Cr-S-Tl,18.0,A3B5C_mC36_12_ac2i_5i_i:Cr-S-Tl +mp-1209095,RbY(MoO4)2,-8.2433077071,-2.5173231158,0.0233244229,0.0181956536,GGA+U,C2/c,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Y,24.0,A2B8CD_mC48_15_f_4f_e_e:Mo-O-Rb-Y +mp-1209254,RbY(MoO4)2,-8.26663213,-2.5406475387,0.0,-0.0051287693,GGA+U,Pbcn,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Rb-Y,48.0,A2B8CD_oP48_60_d_4d_c_c:Mo-O-Rb-Y +mp-1189868,Cd4BiB3O10,-6.354056865,-2.0742173875,0.0,-0.0009077782,GGA,Cm,A3BC4D10_mC36_8_ab_a_2b_2a4b:B-Bi-Cd-O,18.0,A3BC4D10_mC36_8_ab_a_2b_2a4b:B-Bi-Cd-O +mp-556434,AgBi(PS3)2,-4.794768981,-0.5629340462,0.0,-0.0125455543,GGA,P-1,ABC2D6_aP20_2_i_i_2i_6i:Ag-Bi-P-S,20.0,"Invalid WP multiplicities - ABC2D6_aP20_2_i_i_3i_11i:Ag-Bi-P-S, expected AgBiP3S11 to be AgBi(PS3)2" +mp-1195395,K2Sn3(SbS5)2,-4.5996456059,-0.8424682760000001,0.0,-0.0004000718,GGA,P2_1/c,A2B10C2D3_mP34_14_e_5e_e_ae:K-S-Sb-Sn,34.0,A2B10C2D3_mP34_14_e_5e_e_ae:K-S-Sb-Sn +mp-1214531,Ba5Cr3O12F,-7.5173948186,-2.7637871704,0.0,-0.0238632807,GGA+U,P6_3/m,A5B3CD12_hP42_176_fh_h_a_2hi:Ba-Cr-F-O,42.0,A5B3CD12_hP42_176_fh_h_a_2hi:Ba-Cr-F-O +mp-1044762,PrV2ZnO6,-8.0333723135,-2.6445129362,0.1058922885,0.1058922885,GGA+U,Pc,A6BC2D_mP20_7_6a_a_2a_a:O-Pr-V-Zn,20.0,"Invalid WP multiplicities - A6BC2D_mP20_7_12a_a_4a_a:O-Pr-V-Zn, expected PrV4ZnO12 to be PrV2ZnO6" +mp-6982,ErB2Rh2C,-7.5584040167,-0.5777734193,0.040906881,0.040906881,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Er-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Er-Rh +mp-568727,ErRh3C,-7.705516856,-0.5276552735,0.0,-0.0723448605,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Er-Rh,5.0,ABC3_cP5_221_b_a_c:C-Er-Rh +mp-10856,Er(BC)2,-7.717700556,-0.4409338887,0.0,-0.0286002732,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Er,10.0,A2B2C_tP10_127_g_g_b:B-C-Er +mp-1095058,Er(BC)2,-7.56978621,-0.2930195427,0.147914346,0.1193140728,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Er,10.0,A2B2C_tP10_131_j_l_f:B-C-Er +mp-1213315,Er8Rh5C12,-7.7606546416,-0.396363612,0.081630826,0.081630826,GGA,C2/m,A12B8C5_mC50_12_6i_4i_a2i:C-Er-Rh,25.0,A12B8C5_mC50_12_6i_4i_a2i:C-Er-Rh +mp-1025246,Er2B4C,-7.0292866214,-0.5890480220000001,0.0,-0.031642525,GGA,Immm,A4BC2_oI14_71_ef_a_h:B-C-Er,7.0,A4BC2_oI14_71_ef_a_h:B-C-Er +mp-1209451,RbTmS2O9,-6.6999875242,-2.2192592449,0.1500744327,0.1500744327,GGA,P2_1/c,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Tm,52.0,A9BC2D_mP52_14_9e_e_2e_e:O-Rb-S-Tm +mp-680781,Rb3Tm(SO4)3,-6.3486316763,-2.1808921091,0.2866579942,0.2692374264,GGA,Cc,A12B3C3D_mC76_9_12a_3a_3a_a:O-Rb-S-Tm,38.0,"Invalid WP multiplicities - A12B3C3D_mC76_9_24a_6a_4a_a:O-Rb-S-Tm, expected Rb6Tm(SO6)4 to be Rb3Tm(SO4)3" +mp-1197082,Rb3Tm(SO4)3,-6.6352896705,-2.4675501033,0.0,-0.0174205678,GGA,Cc,A12B3C3D_mC76_9_12a_3a_3a_a:O-Rb-S-Tm,38.0,A12B3C3D_mC76_9_12a_3a_3a_a:O-Rb-S-Tm +mp-9368,RbTmS2,-5.5271803325,-2.0948630251,0.0,-0.1731969792,GGA,R-3m,AB2C_hR12_166_a_c_b:Rb-S-Tm,4.0,AB2C_hR12_166_a_c_b:Rb-S-Tm +mp-1227004,CuNi3(CO3)8,-6.9288684789,-0.9847165422,0.5028225998,0.5028225998,GGA+U,P-1,A8BC3D24_aP36_2_4i_b_cdh_12i:C-Cu-Ni-O,36.0,"Invalid WP multiplicities - A8BC3D24_aP36_2_8i_b_cdh_24i:C-Cu-Ni-O, expected CuNi3(CO3)16 to be CuNi3(CO3)8" +mp-1226082,Cu3Ni(CO5)2,-6.4751292675,-1.1000058433,0.1476314374,0.1476314374,GGA+U,P2_1,A2B3CD10_mP32_4_2a_3a_a_10a:C-Cu-Ni-O,32.0,A2B3CD10_mP32_4_2a_3a_a_10a:C-Cu-Ni-O +mp-10919,Rb2PtC2,-5.35997537,-0.06206888,0.0,-0.0437422719,GGA,P-3m1,A2BC2_hP5_164_c_a_d:C-Pt-Rb,5.0,A2BC2_hP5_164_c_a_d:C-Pt-Rb +mp-1200276,Rb5Pt3(C4O9)3,-7.0532145627,-1.3634134683,0.3910551605,0.3910551605,GGA,P-1,A12B27C3D5_aP94_2_12i_27i_bc2i_5i:C-O-Pt-Rb,94.0,A12B27C3D5_aP94_2_12i_27i_bc2i_5i:C-O-Pt-Rb +mp-1204235,Cr3AsN2O13,-6.5494804483,-0.5179960319,0.9857142845,0.9857142845,GGA+U,P2_1/c,AB3C2D13_mP76_14_e_3e_2e_13e:As-Cr-N-O,76.0,AB3C2D13_mP76_14_e_3e_2e_13e:As-Cr-N-O +mp-1227834,Ca2VMoO6,-8.0870218835,-2.7249330627,0.0542694937,0.0542694937,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mo-O-V,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mo-O-V +mp-1191871,CsV2CrO7,-8.1273660282,-2.3689039408,0.0197548218,0.0197548218,GGA+U,P2/c,ABC7D2_mP22_13_a_f_e3g_g:Cr-Cs-O-V,22.0,ABC7D2_mP22_13_a_e_f3g_g:Cr-Cs-O-V +mp-1205927,NaTl(NF3)2,-3.570546324,-0.3878431145,1.0399560018,1.0399560018,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-N-Na-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-N-Na-Tl +mp-1216299,Y2Ti2Fe22N,-8.4156521944,-0.1415452387,0.0692071441,0.0692071441,GGA,Cm,A22BC2D2_mC54_8_14a4b_a_2a_2a:Fe-N-Ti-Y,27.0,"Invalid WP multiplicities - A22BC2D2_mC54_8_14a8b_a_2a_2a:Fe-N-Ti-Y, expected Y2Ti2Fe30N to be Y2Ti2Fe22N" +mp-1216011,YTiFe11N,-8.4782610843,-0.2019259868,0.1255633279,0.1255633279,GGA,Imm2,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Ti-Y,14.0,A11BCD_oI28_44_a2b2ce_b_a_a:Fe-N-Ti-Y +mp-1111414,K2TiTlF6,-5.432368633,-3.0375879468,0.1488875697,0.1488875697,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Ti-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Ti-Tl +mp-1105730,CaU(PbO3)2,-7.817317077,-2.7770734472000003,0.0285754858,0.0285754858,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ca-O-Pb-U,20.0,AB6C2D_mP20_14_a_3e_e_b:Ca-O-Pb-U +mp-22661,InAg(PS3)2,-4.7375496685,-0.6145952737,0.0,-0.0111823361,GGA,P-31c,ABC2D6_hP20_163_c_a_f_i:Ag-In-P-S,20.0,ABC2D6_hP20_163_c_a_f_i:Ag-In-P-S +mp-505537,Al3(Co10B3)2,-6.9588858231,-0.2871812019,0.0057081436,0.0057081436,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Al-B-Co,29.0,A3B6C20_cF116_225_ac_e_fh:Al-B-Co +mp-1214905,Al20(CoB2)3,-4.6047280293,0.0957140607,0.3010312455,0.3010312455,GGA,Fm-3m,A20B6C3_cF116_225_fh_e_ac:Al-B-Co,29.0,A20B6C3_cF116_225_fh_e_ac:Al-B-Co +mp-19348,Al4Co(BO5)2,-7.9680601329,-2.9729841465,0.120935352,0.120935352,GGA+U,P2_1/c,A4B2CD10_mP34_14_2e_e_a_5e:Al-B-Co-O,34.0,"Invalid WP multiplicities - A4B2CD10_mP34_14_3e_e_a_18e:Al-B-Co-O, expected Al6Co(BO18)2 to be Al4Co(BO5)2" +mp-1104926,Sr2SiS4,-5.4804281779,-1.8589846915,0.0,-0.0569588986,GGA,P2_1/m,A4BC2_mP14_11_2ef_e_2e:S-Si-Sr,14.0,A4BC2_mP14_11_2ef_e_2e:S-Si-Sr +mp-1020612,Sr2Si(S2O7)4,-6.7280529951,-2.1023302314,0.0,-0.0537288568,GGA,P2_1/c,A28B8CD2_mP78_14_14e_4e_a_e:O-S-Si-Sr,78.0,A28B8CD2_mP78_14_14e_4e_a_e:O-S-Si-Sr +mp-1111442,K2RbAuF6,-4.050841144,-2.2564323668,0.160844681,0.160844681,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Rb +mp-1113893,KRb2AuF6,-4.10803762,-2.3266153303,0.078385308,0.078385308,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-K-Rb +mp-1190809,Li8TeN2,-3.8672195064,-0.6774305358,0.0,-0.0239213627,GGA,I4_1md,A8B2C_tI44_109_2abc_b_a:Li-N-Te,22.0,A8B2C_tI44_109_2abc_b_a:Li-N-Te +mp-1247058,Li6TeN4,-4.8158688505,-0.4574304147,0.1881738982,0.1881738982,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-Te,22.0,A6B4C_tP22_137_df_g_a:Li-N-Te +mp-773582,LiTe(H3N)4,-4.9055634108,-0.5105122442,0.0,-0.0362599352,GGA,P-1,A12BC4D_aP36_2_12i_i_4i_i:H-Li-N-Te,36.0,"Invalid WP multiplicities - A12BC4D_aP36_2_23i_i_7i_i:H-Li-N-Te, expected LiTeH23N7 to be LiTe(H3N)4" +mp-1112025,K2YHgBr6,-3.619280866,-1.7883689308,0.1382827015,0.1382827015,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:Br-Hg-K-Y +mp-1110838,K2LiBiF6,-4.878914197,-2.9350058274,0.0554452052,0.0554452052,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-F-K-Li +mp-557807,CsK2AuO2,-3.9774523317,-1.2635423836,0.0,-0.1064195817,GGA,Pnma,ABC2D2_oP24_62_c_c_d_2c:Au-Cs-K-O,24.0,"Invalid WP multiplicities - ABC2D2_oP24_62_c_c_d_4c:Au-Cs-K-O, expected CsK2AuO4 to be CsK2AuO2" +mp-777775,Ag(H7O4)2,-5.0489216326,-1.1400420533,0.0692909677,0.0692909677,GGA,P2_1/c,AB14C8_mP92_14_e_14e_8e:Ag-H-O,92.0,"Invalid WP multiplicities - AB14C8_mP92_14_e_43e_19e:Ag-H-O, expected AgH43O19 to be Ag(H7O4)2" +mp-778019,Ag2H16O9,-4.9677334104,-1.0985138871,0.0769762502,0.0769762502,GGA,P2_1/c,A2B16C9_mP108_14_2e_16e_9e:Ag-H-O,108.0,"Invalid WP multiplicities - A2B16C9_mP108_14_7e_63e_33e:Ag-H-O, expected Ag7(H21O11)3 to be Ag2H16O9" +mp-769355,AgH3O2,-4.7642764394,-0.9469245126,0.0953607708,0.0953607708,GGA,Pbca,AB3C2_oP48_61_c_3c_2c:Ag-H-O,48.0,"Invalid WP multiplicities - AB3C2_oP48_61_c_9c_5c:Ag-H-O, expected AgH9O5 to be AgH3O2" +mp-769296,AgH9O5,-4.9808550422,-1.1074861112,0.0786604144,0.0786604144,GGA,P2_12_12_1,AB9C5_oP60_19_a_9a_5a:Ag-H-O,60.0,"Invalid WP multiplicities - AB9C5_oP60_19_a_33a_17a:Ag-H-O, expected AgH33O17 to be AgH9O5" +mp-1193238,Ag2Te(H2O3)2,-5.1037679596,-1.0991945483,0.0138458304,0.0138458304,GGA,Fdd2,A2B4C6D_oF104_43_b_2b_3b_a:Ag-H-O-Te,26.0,A2B4C6D_oF104_43_b_2b_3b_a:Ag-H-O-Te +mp-769295,AgH8O5,-4.9913018484,-1.0836012827,0.0789825245,0.0789825245,GGA,P2_12_12_1,AB8C5_oP56_19_a_8a_5a:Ag-H-O,56.0,"Invalid WP multiplicities - AB8C5_oP56_19_a_29a_17a:Ag-H-O, expected AgH29O17 to be AgH8O5" +mp-1111371,K2MnTlF6,-5.22347805,-2.7020450362,0.0670570927,0.0670570927,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Tl +mp-1104849,SrAg2(IO2)4,-4.4772430873,-0.955804384,0.2250606549,0.2250606549,GGA,I422,A2B4C8D_tI30_97_c_j_k_a:Ag-I-O-Sr,15.0,A2B4C8D_tI30_97_c_j_k_a:Ag-I-O-Sr +mp-1179111,SrAg2(IO2)4,-4.4881372567,-0.9666985533,0.2141664856,0.2141664856,GGA,I422,A2B4C8D_tI30_97_c_j_k_a:Ag-I-O-Sr,15.0,A2B4C8D_tI30_97_c_j_k_a:Ag-I-O-Sr +mp-1228031,Ba8Sr(BN2)6,-7.0035595067,-1.1829823697,0.0038407295,0.0038407295,GGA,Pm-3m,A6B8C12D_cP27_221_cd_g_ef_a:B-Ba-N-Sr,27.0,"Invalid WP multiplicities - A6B8C12D_cP27_221_3c3d_g_5e6f_a:B-Ba-N-Sr, expected Ba8Sr(B3N11)6 to be Ba8Sr(BN2)6" +mp-1181889,CoAg(N3O4)2,-6.2125738656,0.0082606993,0.6838785696,0.6838785696,GGA+U,P4/nnc,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O,32.0,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O +mp-1198670,CoAg(N3O4)2,-6.1243089825,0.0965255824,0.7721434527000001,0.7721434527000001,GGA+U,P4/nnc,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O,32.0,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O +mp-725643,CoAg(N3O4)2,-6.10094171,0.1198928549,0.7955107252,0.7955107252,GGA+U,P4/nnc,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O,32.0,ABC6D8_tP32_126_a_b_eh_k:Ag-Co-N-O +mp-1214972,Co(N2O5)2,-5.6653147083,0.3294309322,1.1593655557,1.1593655557,GGA+U,P2_1/c,AB4C10_mP60_14_e_4e_10e:Co-N-O,60.0,AB4C10_mP60_14_e_4e_10e:Co-N-O +mp-773130,Co(NO3)4,-6.6341309157,-0.7626860904,0.0,-0.0070319007,GGA+U,P-1,AB4C12_aP68_2_2i_8i_24i:Co-N-O,68.0,"Invalid WP multiplicities - AB4C12_aP68_2_3i_15i_47i:Co-N-O, expected Co3N15O47 to be Co(NO3)4" +mp-1199828,Co2N15O11,-6.4810767171,0.435981686,0.9902392911,0.9902392911,GGA+U,P4_2nm,A2B15C11_tP56_102_c_ab2c2d_a5c:Co-N-O,56.0,A2B15C11_tP56_102_c_ab2c2d_a5c:Co-N-O +mp-723122,Co(NO6)2,-5.6678209167,-0.125049438,0.4300338358,0.4300338358,GGA+U,C2/c,AB2C12_mC60_15_c_f_6f:Co-N-O,30.0,AB2C12_mC60_15_c_f_6f:Co-N-O +mp-1104601,Co(NO5)2,-5.9325699077,-0.2980933879,0.3423873127,0.3423873127,GGA+U,P-1,AB2C10_aP13_2_a_i_5i:Co-N-O,13.0,AB2C10_aP13_2_a_i_5i:Co-N-O +mp-1246189,Co2AgN3,-6.6371716211,0.3726077736,0.4218629336,0.4218629336,GGA,P3_121,AB2C3_hP18_152_a_c_bc:Ag-Co-N,18.0,AB2C3_hP18_152_a_c_bc:Ag-Co-N +mp-1199756,CoN7O8,-6.3319577634,0.2328729841,0.8821001234,0.8821001234,GGA+U,P2_12_12_1,AB7C8_oP64_19_a_7a_8a:Co-N-O,64.0,AB7C8_oP64_19_a_7a_8a:Co-N-O +mp-1247213,CoAgN,-5.8191354467,0.2733207944,0.3225759544,0.3225759544,GGA,Cmcm,ABC_oC12_63_c_a_c:Ag-Co-N,6.0,ABC_oC12_63_c_a_c:Ag-Co-N +mp-1245568,CoAgN,-5.5431986133,0.5492576278,0.5985127878000001,0.5985127878000001,GGA,P-6m2,ABC_hP3_187_c_b_a:Ag-Co-N,3.0,ABC_hP3_187_c_b_a:Ag-Co-N +mp-1197703,CoN5O9,-5.8187752727,0.4019574487,1.1631792348,1.1631792348,GGA+U,P2_1/c,AB5C9_mP60_14_e_5e_9e:Co-N-O,60.0,AB5C9_mP60_14_e_5e_9e:Co-N-O +mp-562172,CoAg(NO3)3,-6.5289530159,-0.8524846606,0.0,-0.0135169312,GGA+U,P2_1/c,ABC3D9_mP56_14_e_e_3e_9e:Ag-Co-N-O,56.0,"Invalid WP multiplicities - ABC3D9_mP56_14_e_e_12e_34e:Ag-Co-N-O, expected CoAg(N6O17)2 to be CoAg(NO3)3" +mp-726105,Co(N3O4)3,-6.2115067282,0.2201767561,0.8797405959,0.8797405959,GGA+U,Fm-3,AB9C12_cF88_202_a_bce_h:Co-N-O,22.0,AB9C12_cF88_202_a_bce_h:Co-N-O +mp-1182683,Co2N16O9,-6.0551638235,1.0604196132,1.5512582206,1.5512582206,GGA+U,P4_2nm,A2B16C9_tP54_102_c_2ab2c2d_a4c:Co-N-O,54.0,A2B16C9_tP54_102_c_2ab2c2d_a4c:Co-N-O +mp-30006,Co(NO3)2,-6.86529878,-0.9251387897,0.0,-0.0828066356,GGA+U,R-3,AB2C6_hR108_148_ae_cf_4f:Co-N-O,36.0,"Invalid WP multiplicities - AB2C6_hR108_148_ae_2c2f_5f:Co-N-O, expected Co2N8O15 to be Co(NO3)2" +mp-1190777,Co(NO4)2,-6.2420660709,-0.4825372223,0.2743945148,0.2743945148,GGA+U,P2_1/c,AB2C8_mP22_14_a_e_4e:Co-N-O,22.0,AB2C8_mP22_14_a_e_4e:Co-N-O +mp-1213868,Co2NO6,-6.6910741383,-0.8873782736,0.1160147033,0.1160147033,GGA+U,P2_1,A2BC6_mP18_4_2a_a_6a:Co-N-O,18.0,A2BC6_mP18_4_2a_a_6a:Co-N-O +mp-504806,K2Li14Pb3O14,-5.2226237712,-1.9093722199,0.0,-0.0030912717,GGA,Immm,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:K-Li-O-Pb,33.0,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:K-Li-O-Pb +mp-1212210,K3LiPb4,-2.7516316787,-0.2402931803,0.0010387938,0.0010387938,GGA,Cmcm,A3BC4_oC32_63_cf_a_fg:K-Li-Pb,16.0,A3BC4_oC32_63_cf_a_fg:K-Li-Pb +mp-559106,KLi3PbO4,-5.2183833406,-1.8476534003,0.0,-0.0062266495,GGA,P-1,AB3C4D_aP18_2_i_3i_4i_i:K-Li-O-Pb,18.0,"Invalid WP multiplicities - AB3C4D_aP18_2_i_4i_5i_i:K-Li-O-Pb, expected KLi4PbO5 to be KLi3PbO4" +mp-10080,PrGeBO5,-8.0619067138,-2.9598105966,0.0002741682,-0.024231507,GGA,P3_1,ABC5D_hP24_144_a_a_5a_a:B-Ge-O-Pr,24.0,ABC5D_hP24_144_a_a_5a_a:B-Ge-O-Pr +mp-559590,PrGeBO5,-8.0621808819,-2.9600847648,0.0,-0.0245056752,GGA,P3_1,ABC5D_hP72_144_3a_3a_15a_3a:B-Ge-O-Pr,72.0,"Invalid WP multiplicities - ABC5D_hP72_144_8a_4a_42a_6a:B-Ge-O-Pr, expected Pr3Ge2B4O21 to be PrGeBO5" +mp-866301,BaBSbS4,-5.3932917804,-1.2114107206,0.0,-0.0139081921,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:B-Ba-S-Sb,28.0,ABC4D_oP28_62_c_c_2cd_c:B-Ba-S-Sb +mp-17516,Ca10P6SeO24,-7.5464452693,-3.2841951623,0.0,-0.0095407406,GGA,P-3,A10B24C6D_hP41_147_2dg_4g_g_a:Ca-O-P-Se,41.0,"Invalid WP multiplicities - A10B24C6D_hP41_147_2d2g_4g_g_a:Ca-O-P-Se, expected Ca16P6SeO24 to be Ca10P6SeO24" +mp-23581,Cr3B7BrO13,-8.5207367298,-2.6217839639,0.0,-0.0821996314,GGA+U,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Br-Cr-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_ce_a_d_b2h:B-Br-Cr-O, expected Cr3B7BrO25 to be Cr3B7BrO13" +mp-27842,CrBrO,-7.2306930233,-1.8464381862,0.0377981272,0.0377981272,GGA+U,Pmmn,ABC_oP6_59_a_b_a:Br-Cr-O,6.0,ABC_oP6_59_a_b_a:Br-Cr-O +mp-1224036,KNb5Pb2O15,-8.5550217743,-2.7618674719,0.0198564304,0.0198564304,GGA,Pmc2_1,AB5C15D2_oP46_26_a_5b_5a10b_2a:K-Nb-O-Pb,46.0,"Invalid WP multiplicities - AB5C15D2_oP46_26_a_8b_8a18b_2a:K-Nb-O-Pb, expected KNb8(PbO13)2 to be KNb5Pb2O15" +mp-1223583,KNb5Pb2O15,-8.5656918909,-2.7725375884,0.0091863139,0.0091863139,GGA,Amm2,AB5C15D2_oC92_38_2a_2b4e_2a2b4d9e_2d:K-Nb-O-Pb,46.0,AB5C15D2_oC92_38_2a_2b4e_2a2b4d9e_2d:K-Nb-O-Pb +mp-1102762,SmAsS,-6.2409979567,-1.736279821,0.0,-0.0834109208,GGA,Pnma,ABC_oP12_62_c_c_c:As-S-Sm,12.0,ABC_oP12_62_c_c_c:As-S-Sm +mp-2273987,SmAsS,-6.2233248017000005,-1.718606666,0.017673155,-0.0657377658,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-S-Sm,6.0,ABC_tP6_129_a_c_c:As-S-Sm +mp-560964,K3Sm(AsS4)2,-4.7998652864,-1.1956068064,0.0,-0.0176911835,GGA,C2/c,A2B3C8D_mC56_15_f_a2e_4f_e:As-K-S-Sm,28.0,"Invalid WP multiplicities - A2B3C8D_mC56_15_f_2c4e_12f_e:As-K-S-Sm, expected K6Sm(AsS12)2 to be K3Sm(AsS4)2" +mp-1194844,MgBi2(IO)8,-3.6265283276,-0.4348599697,0.6955060107000001,0.6955060107000001,GGA,P2_1/c,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mg-O,38.0,A2B8CD8_mP38_14_e_4e_a_4e:Bi-I-Mg-O +mp-1216969,V20Ga2Ge3S40,-6.8255072008,-1.1784088672,0.0,-0.0002053374,GGA,C2,A2B3C40D20_mC130_5_c_ac_20c_10c:Ga-Ge-S-V,65.0,"Invalid WP multiplicities - A2B3C40D20_mC130_5_c_a2c_40c_20c:Ga-Ge-S-V, expected V40Ga2(GeS16)5 to be V20Ga2Ge3S40" +mp-1216418,V8GaGeS16,-6.8215560627,-1.1867264355,0.0,-0.0002817571,GGA,P-4m2,ABC16D8_tP26_115_a_c_2j2k_jk:Ga-Ge-S-V,26.0,"Invalid WP multiplicities - ABC16D8_tP26_115_a_c_7j7k_4j4k:Ga-Ge-S-V, expected V32GaGeS56 to be V8GaGeS16" +mp-1216829,V12Ga(GeS12)2,-6.82775187,-1.1724743988,0.0002315132,0.0002315132,GGA,Imm2,AB2C24D12_oI78_44_a_c_6c2d2e_3cde:Ga-Ge-S-V,39.0,"Invalid WP multiplicities - AB2C24D12_oI78_44_a_c_11c4d6e_5c2d4e:Ga-Ge-S-V, expected V30Ga(GeS27)2 to be V12Ga(GeS12)2" +mp-1103812,V4GeS8,-6.8320953354,-1.1359221762,0.00826896,-0.0050519539,GGA,Imm2,AB8C4_oI26_44_a_2c2d_cd:Ge-S-V,13.0,AB8C4_oI26_44_a_2c2d_cd:Ge-S-V +mp-8688,V4GeS8,-6.8403642954,-1.1441911362,0.0,-0.0133209139,GGA,F-43m,AB8C4_cF52_216_a_2e_e:Ge-S-V,13.0,"Invalid WP multiplicities - AB8C4_cF52_216_a_4e_e:Ge-S-V, expected V4GeS16 to be V4GeS8" +mp-1216887,V12Ga2GeS24,-6.8142194803,-1.1998376971,0.0,-0.0003798236,GGA,Imm2,A2BC24D12_oI78_44_c_a_6c2d2e_3cde:Ga-Ge-S-V,39.0,"Invalid WP multiplicities - A2BC24D12_oI78_44_c_a_12c4d4e_6c2d2e:Ga-Ge-S-V, expected V24Ga2GeS48 to be V12Ga2GeS24" +mp-1217432,V20Ga(GeS10)4,-6.8328383903,-1.1612026439,9.73578e-05,9.73578e-05,GGA,I-4,AB4C40D20_tI130_82_a_g_10g_5g:Ga-Ge-S-V,65.0,"Invalid WP multiplicities - AB4C40D20_tI130_82_a_g_38g_19g:Ga-Ge-S-V, expected V76Ga(GeS38)4 to be V20Ga(GeS10)4" +mp-1192190,Gd3AlVS7,-8.981158865,-1.9800757243,0.0,-0.0072036754,GGA,P6_3,AB3C7D_hP24_173_b_c_b2c_a:Al-Gd-S-V,24.0,AB3C7D_hP24_173_b_c_b2c_a:Al-Gd-S-V +mp-1028040,YMg14Cr,-2.34206412,0.0656508352,0.1050765955,0.1050765955,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Y, expected YMg18Cr to be YMg14Cr" +mp-1028015,YMg14Cr,-2.3287689994000003,0.0789459558,0.1183717162,0.1183717162,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Y, expected YMg26Cr to be YMg14Cr" +mp-1022627,YMg6Cr,-3.067267065,0.1478827954,0.2024039062,0.2024039062,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Y, expected YMg12Cr to be YMg6Cr" +mp-1022649,YMg6Cr,-3.0748818281,0.1402680323,0.1947891431,0.1947891431,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Y, expected YMg12Cr to be YMg6Cr" +mp-1247288,Y3Mg2CrS8,-6.5475128,-1.8800399539,0.05368313,0.05368313,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Mg-S-Y,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Cr-Mg-S-Y, expected Y3Mg2CrS22 to be Y3Mg2CrS8" +mp-1246969,YMg2Cr3S8,-6.5215766343,-1.3988785944,0.0493454914,0.0493454914,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-Y,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-Y, expected YMg2Cr3S16 to be YMg2Cr3S8" +mp-1247238,YMgCrS4,-6.5174684357,-1.6223829927,0.0685905921,0.0685905921,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-S-Y,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Cr-Mg-S-Y, expected YMgCrS12 to be YMgCrS4" +mp-1220816,Nb2V3(Cu3S4)5,-5.6434047342,-0.8516190923,0.001722689,0.001722689,GGA,P-42m,A15B2C20D3_tP40_111_ce2g2m_g_5n_ag:Cu-Nb-S-V,40.0,"Invalid WP multiplicities - A15B2C20D3_tP40_111_c2e3g6m_g_20n_a2g:Cu-Nb-S-V, expected Nb2V5(Cu7S16)5 to be Nb2V3(Cu3S4)5" +mp-15958,Nb3VS6,-7.8826456495,-1.4619936104,0.0,-0.0387914219,GGA,P6_322,A3B6C_hP20_182_af_i_c:Nb-S-V,20.0,A3B6C_hP20_182_af_i_c:Nb-S-V +mp-1194374,Nb4VS8,-7.8018372877,-1.4494738135,0.0,-0.0135158585,GGA,P6_3/mmc,A4B8C_hP26_194_bh_fk_a:Nb-S-V,26.0,A4B8C_hP26_194_bh_fk_a:Nb-S-V +mp-1220583,Nb5V3S20,-6.9143222232,-1.1826350537,0.0138605262,0.0138605262,GGA,Cm,A5B20C3_mC56_8_3ab_10a5b_ab:Nb-S-V,28.0,A5B20C3_mC56_8_3ab_10a5b_ab:Nb-S-V +mp-866617,Cs2Sr2(CO3)3,-7.2988408622,-2.4628417041,0.0008109808,0.0008109808,GGA,I2_13,A3B2C9D2_cI64_199_b_a_bc_a:C-Cs-O-Sr,32.0,A3B2C9D2_cI64_199_b_a_bc_a:C-Cs-O-Sr +mp-1197331,HoAl3(H3C)12,-4.9558013932,-0.1730848568,0.0943708244,0.0943708244,GGA,C2/c,A3B12C36D_mC208_15_ef_6f_18f_e:Al-C-H-Ho,104.0,A3B12C36D_mC208_15_ef_6f_18f_e:Al-C-H-Ho +mp-973634,Ho(AlC)3,-6.5171440914000005,-0.3021251146,0.0,-0.0598082838,GGA,P6_3/mmc,A3B3C_hP14_194_cf_df_a:Al-C-Ho,14.0,"Invalid WP multiplicities - A3B3C_hP14_194_2c3f_2d3f_a:Al-C-Ho, expected Ho(AlC)8 to be Ho(AlC)3" +mp-29677,Ho3AlC,-5.754432952,-0.4101393655,0.0,-0.0647691548,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Ho,5.0,ABC3_cP5_221_a_b_c:Al-C-Ho +mp-1219570,RbSbWO6,-7.4692810222,-2.1639701544,0.0010810233,-0.0445842231,GGA+U,Ima2,A6BCD_oI36_46_2b2c_b_a_b:O-Rb-Sb-W,18.0,"Invalid WP multiplicities - A6BCD_oI36_46_4b6c_b_a_b:O-Rb-Sb-W, expected RbSbWO16 to be RbSbWO6" +mp-1543124,RbSbWO6,-7.4703620456,-2.1650511778,0.0,-0.0456652465,GGA+U,Imma,A6BCD_oI36_74_2ej_e_a_c:O-Rb-Sb-W,18.0,"Invalid WP multiplicities - A6BCD_oI36_74_4e2j_e_a_c:O-Rb-Sb-W, expected RbSbWO12 to be RbSbWO6" +mp-1194095,TiAg2(IO3)6,-5.1790845689000005,-1.0516327568,0.0196623178,0.0196623178,GGA,R-3,A2B6C18D_hR81_148_c_f_3f_a:Ag-I-O-Ti,27.0,A2B6C18D_hR81_148_c_f_3f_a:Ag-I-O-Ti +mp-1197141,Cr3BiNO12,-6.8149888438,-0.9034364321,0.5982889892000001,0.5982889892000001,GGA+U,P-1,AB3CD12_aP34_2_i_3i_i_12i:Bi-Cr-N-O,34.0,AB3CD12_aP34_2_i_3i_i_12i:Bi-Cr-N-O +mp-1245466,CrBiN2,-7.570746235,-0.0291146225,0.3166537362,0.3166537362,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Bi-Cr-N,8.0,ABC2_tP8_129_c_c_ac:Bi-Cr-N +mp-1199387,Cr4BiNO14,-7.1790527024,-1.1769119077,0.410816244,0.410816244,GGA+U,P2_1/c,AB4CD14_mP80_14_e_4e_e_14e:Bi-Cr-N-O,80.0,AB4CD14_mP80_14_e_4e_e_14e:Bi-Cr-N-O +mp-1247293,CrBi2N3,-6.9309235758,0.126328175,0.3568404142,0.3568404142,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Bi-Cr-N,24.0,A2BC3_mC48_15_2f_f_2e2f:Bi-Cr-N +mp-1379764,Ca2VIrO6,-7.646932001,-2.4855647733,0.0922541027,0.0922541027,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ir-O-V,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_b:Ca-Ir-O-V, expected Ca2VIrO20 to be Ca2VIrO6" +mp-1325621,V2Zn3(GeO4)3,-6.8023027425,-2.043483189,0.0921367329,0.0921367329,GGA+U,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-V-Zn,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-V-Zn +mp-1043368,VZn(GeO3)2,-6.9868038815,-2.0598201158,0.0427346605,0.0427346605,GGA+U,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-V-Zn,40.0,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-V-Zn +mp-1043218,VZn(GeO3)2,-6.988986813,-2.0620030472,0.040551729,0.040551729,GGA+U,C2/c,A2B6CD_mC40_15_f_3f_e_e:Ge-O-V-Zn,40.0,A2B6CD_mC40_15_f_3f_e_e:Ge-O-V-Zn +mp-1112931,Cs2YAgI6,-3.487277034,-1.4942740379,0.0208618072,0.0208618072,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Y,10.0,AB2C6D_cF40_225_a_c_e_b:Ag-Cs-I-Y +mp-1112246,K2NdCuF6,-5.325010945,-3.0693083648,0.211461633,0.211461633,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Nd,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Nd +mp-1210193,ScRu(NF)6,-5.6402890445,-0.1335236873,1.6347190041,1.6347190041,GGA,Pa-3,A6B6CD_cP56_205_d_d_a_b:F-N-Ru-Sc,56.0,A6B6CD_cP56_205_d_d_a_b:F-N-Ru-Sc +mp-1112029,K2ScHgI6,-3.046206268,-1.2764917216,0.1047767565,0.1047767565,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Sc,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Sc +mp-1112016,K2ScInI6,-3.390947997,-1.3764331141,0.046755989,0.046755989,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-K-Sc +mp-1210343,NpNi(OF2)3,-6.1613900968,-2.0671304332,0.4464468813,0.4464468813,GGA+U,C2,A6BCD3_mC44_5_6c_c_ab_ab2c:F-Ni-Np-O,22.0,A6BCD3_mC44_5_6c_c_ab_ab2c:F-Ni-Np-O +mp-1223028,LaCe(O2F)2,-7.0902132275,-2.7803620975000003,0.6145204939000001,0.6145204939000001,GGA,P-6m2,AB2CD4_hP8_187_a_cd_b_2i:Ce-F-La-O,8.0,"Invalid WP multiplicities - AB2CD4_hP8_187_a_cd_b_3i:Ce-F-La-O, expected LaCe(O3F)2 to be LaCe(O2F)2" +mp-1223016,LaCeF6,-7.1651680212,-4.3729217631,0.0273046458,0.0273046458,GGA,Amm2,AB6C_oC16_38_a_ab2c_b:Ce-F-La,8.0,"Invalid WP multiplicities - AB6C_oC16_38_a_ab3c_b:Ce-F-La, expected LaCeF8 to be LaCeF6" +mp-556631,KZrSnF7,-6.1508395755,-3.446037155,0.0,-0.0100044356,GGA,Pmna,A7BCD_oP40_53_e4hi_g_h_h:F-K-Sn-Zr,40.0,"Invalid WP multiplicities - A7BCD_oP40_53_3e12h4i_g_h_h:F-K-Sn-Zr, expected KZrSnF23 to be KZrSnF7" +mp-1111957,K2TiAuF6,-5.299246465,-2.8133418934,0.373133623,0.373133623,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Ti +mp-1205651,Sr2NdUO6,-8.368351659,-3.4564839973,0.1686473596,0.1686473596,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nd-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Nd-O-Sr-U +mp-1228119,BaPb3(NO3)8,-6.7113300092,-1.1982909919,0.0019786637,0.0019786637,GGA,R-3,AB8C24D3_hR108_148_a_cf_4f_e:Ba-N-O-Pb,36.0,"Invalid WP multiplicities - AB8C24D3_hR108_148_a_2c3f_24f_e:Ba-N-O-Pb, expected BaPb3(N11O72)2 to be BaPb3(NO3)8" +mp-1216586,TmSc(BO3)2,-8.885043876,-3.5003218422,0.0,-0.0138377743,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Tm,10.0,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Tm +mp-1194926,Cs3Gd(PO4)2,-7.73871021,-2.9413927772,0.0,-0.0468926379,GGA,P2_1,A3BC8D2_mP56_4_6a_2a_16a_4a:Cs-Gd-O-P,56.0,A3BC8D2_mP56_4_6a_2a_16a_4a:Cs-Gd-O-P +mp-573001,CsGd(PO3)4,-8.2444977725,-2.9119978184,0.0,-0.0053459419,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cs-Gd-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_14e:Cs-Gd-O-P, expected CsGdP14O45 to be CsGd(PO3)4" +mp-1203156,YCdBiO4,-6.6322572754,-2.2013137256,0.2009256617,0.2009256617,GGA,I4_1/amd,ABC4D_tI112_141_h_f_ghi_g:Bi-Cd-O-Y,56.0,ABC4D_tI112_141_h_f_ghi_g:Bi-Cd-O-Y +mp-1205924,Sr2DyUO6,-8.473603687,-3.5778720846,0.1042927508,0.1042927508,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-U,10.0,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-U +mp-1194612,YNb(TeO4)2,-7.7261781506,-2.5238533481000003,0.0,-0.0001835521,GGA,Cmce,AB8C2D_oC96_64_e_e3f2g_2f_d:Nb-O-Te-Y,48.0,"Invalid WP multiplicities - AB8C2D_oC96_64_e_e6f4g_3f_d:Nb-O-Te-Y, expected YNb(TeO5)3 to be YNb(TeO4)2" +mp-1199585,LaMoI4O15,-5.9561636088,-1.3906658334,0.0379174594,0.0379174594,GGA+U,P2_1,A4BCD15_mP42_4_4a_a_a_15a:I-La-Mo-O,42.0,A4BCD15_mP42_4_4a_a_a_15a:I-La-Mo-O +mp-1229287,Bi2PbF8,-4.9912883027,-2.56533766,0.19608496,0.19608496,GGA,I4/mmm,A2B8C_tI22_139_e_deg_a:Bi-F-Pb,11.0,"Invalid WP multiplicities - A2B8C_tI22_139_e_2de3g_a:Bi-F-Pb, expected Bi2PbF18 to be Bi2PbF8" +mp-675831,Bi2Pb3F12,-5.1415826224,-2.6853080882,0.0482270218,0.0482270218,GGA,P1,A2B12C3_aP17_1_2a_12a_3a:Bi-F-Pb,17.0,A2B12C3_aP17_1_2a_12a_3a:Bi-F-Pb +mp-35795,BiPbF5,-5.1347712657,-2.6904096889,0.0540812286,0.0540812286,GGA,P1,AB5C_aP7_1_a_5a_a:Bi-F-Pb,7.0,AB5C_aP7_1_a_5a_a:Bi-F-Pb +mp-1227424,BiPbO2F,-5.786834462,-1.915235944,0.019929836,0.019929836,GGA,Cm,ABC2D_mC10_8_a_a_2a_a:Bi-F-O-Pb,5.0,ABC2D_mC10_8_a_a_2a_a:Bi-F-O-Pb +mp-1227492,BiPb2F7,-5.03902203,-2.5744084258,0.151457619,0.151457619,GGA,I4/mmm,AB7C2_tI20_139_a_bdg_e:Bi-F-Pb,10.0,"Invalid WP multiplicities - AB7C2_tI20_139_a_b2dg_e:Bi-F-Pb, expected BiPb2F9 to be BiPb2F7" +mp-1209630,Sr3Dy2(BO3)4,-8.1487630664,-3.3697208922,0.0104097679,0.0104097679,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Dy-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Dy-O-Sr +mp-1079481,AlSBr3,-3.411953277,-0.9037311396,0.3610600129,0.3610600129,GGA,P-3m1,AB3C_hP10_164_d_i_d:Al-Br-S,10.0,AB3C_hP10_164_d_i_d:Al-Br-S +mp-558847,AlSBr3N,-4.4650985921,-0.9854976568,0.0684949703,0.0684949703,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:Al-Br-N-S,24.0,"Invalid WP multiplicities - AB3CD_mP24_14_e_8e_e_e:Al-Br-N-S, expected AlSBr8N to be AlSBr3N" +mp-1219093,SmU2Se5,-7.2684267122,-1.6708062693,0.0181205613,0.0181205613,GGA,Pna2_1,A5BC2_oP32_33_5a_a_2a:Se-Sm-U,32.0,"Invalid WP multiplicities - A5BC2_oP32_33_10a_a_2a:Se-Sm-U, expected Sm(USe5)2 to be SmU2Se5" +mp-1209051,SmU2Se5,-7.2365688372,-1.6389483943,0.0499784363,0.0499784363,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Se-Sm-U,32.0,A5BC2_oP32_62_3cd_c_d:Se-Sm-U +mp-1196235,Sm2USe5,-6.6762190662,-1.9002016077,0.0014970276,0.0014970276,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Se-Sm-U,32.0,A5B2C_oP32_62_3cd_d_c:Se-Sm-U +mp-1219211,Sm2U2Se3O4,-8.6862123705,-3.0230776825,0.010215372,0.010215372,GGA,Pbam,A4B3C2D2_oP22_55_gh_ah_g_h:O-Se-Sm-U,22.0,A4B3C2D2_oP22_55_gh_ah_g_h:O-Se-Sm-U +mp-1028341,Mg14NiW,-2.4085900638,0.1627966619,0.2112831018,0.2112831018,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-W, expected Mg18NiW to be Mg14NiW" +mp-1028346,Mg14NiW,-2.4116395987,0.1597471269,0.2082335668,0.2082335668,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-W, expected Mg26NiW to be Mg14NiW" +mp-1246618,Mg2Ni3WS8,-5.5468629836000005,-0.7903844618,0.2657273579,0.2657273579,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Ni-S-W,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c3h_a:Mg-Ni-S-W, expected Mg2Ni3WS22 to be Mg2Ni3WS8" +mp-1247084,Mg2NiW3S8,-6.5716196171,-0.7897134454,0.4314256314,0.4314256314,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Ni-S-W,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Mg-Ni-S-W, expected Mg2NiW3S16 to be Mg2NiW3S8" +mp-1246482,MgNiWS4,-6.0813618229,-0.8121694761,0.3403532145,0.3403532145,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Ni-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Ni-S-W, expected MgNiWS12 to be MgNiWS4" +mp-1021757,Mg6NiW,-3.2359540637,0.3065393375,0.3821537077,0.3821537077,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-W, expected Mg12NiW to be Mg6NiW" +mp-1021788,Mg6NiW,-3.2717702462,0.270723155,0.3463375252,0.3463375252,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-W, expected Mg12NiW to be Mg6NiW" +mp-1210940,Li(YGe)4,-5.9970206656,-0.8562519167,0.0,-0.0154674222,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Y,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Y +mp-14209,LiYGe,-5.06611277,-0.7333054917,0.0,-0.0852911203,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Y,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Y +mp-1211012,LiYGeO4,-7.5821094479,-2.8985127793,0.0091808325,0.0091808325,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Li-O-Y,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Li-O-Y +mp-1043550,MgSi4WO10,-8.2222777213,-2.8643671267,0.1762130939,0.1762130939,GGA+U,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Mg-O-Si-W,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Mg-O-Si-W, expected MgSi4WO22 to be MgSi4WO10" +mp-1026701,Mg14SiW,-2.3880928369,0.1611177231,0.2117599089,0.2117599089,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-W, expected Mg18SiW to be Mg14SiW" +mp-1026685,Mg14SiW,-2.4016709344,0.1475396256,0.1981818114,0.1981818114,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-W, expected Mg26SiW to be Mg14SiW" +mp-1263350,Mg3Si4(WO7)2,-8.0105355233,-2.7204479282,0.2149903523,0.2149903523,GGA+U,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Mg-O-Si-W,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Mg-O-Si-W, expected Mg3Si5WO27 to be Mg3Si4(WO7)2" +mp-1373844,MgSi2WO6,-7.9895479905,-2.4806301297,0.4234789697,0.4234789697,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-W,20.0,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-W +mp-1041873,MgSi2WO6,-8.0877255299,-2.5788076691,0.3253014304,0.3253014304,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Mg-O-Si-W,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Mg-O-Si-W, expected MgSi8WO41 to be MgSi2WO6" +mp-1157231,Mg3Si3(WO6)2,-8.0325064609,-2.7148404991,0.17070871,0.17070871,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-W,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-W +mp-1017367,Mg6SiW,-3.256711755,0.241429315,0.3219079971,0.3219079971,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-W, expected Mg12SiW to be Mg6SiW" +mp-1017379,Mg6SiW,-3.2197923744,0.2783486956,0.3588273777,0.3588273777,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-W, expected Mg12SiW to be Mg6SiW" +mp-1181300,Mg8SiW9O49,-7.3481655546,-1.7177405195,0.3993563685,0.3993563685,GGA+U,Cc,A8B49CD9_mC268_9_8a_49a_a_9a:Mg-O-Si-W,134.0,"Invalid WP multiplicities - A8B49CD9_mC268_9_14a_97a_a_18a:Mg-O-Si-W, expected Mg14SiW18O97 to be Mg8SiW9O49" +mp-1198202,Mg8SiW9O49,-7.3485412681,-1.718116233,0.398980655,0.398980655,GGA+U,P31c,A8B49CD9_hP134_159_ab2c_b16c_b_3c:Mg-O-Si-W,134.0,A8B49CD9_hP134_159_ab2c_b16c_b_3c:Mg-O-Si-W +mp-1226455,Cs2GeB4O9,-7.5118908088,-2.6586659285,0.0,-0.0211114072,GGA,C2,A4B2CD9_mC32_5_2c_ab_a_b4c:B-Cs-Ge-O,16.0,A4B2CD9_mC32_5_2c_ab_a_b4c:B-Cs-Ge-O +mp-558804,CsGeB3O7,-7.6633249521,-2.6480394089,0.0,-0.0173126103,GGA,Pna2_1,A3BCD7_oP48_33_3a_a_a_7a:B-Cs-Ge-O,48.0,"Invalid WP multiplicities - A3BCD7_oP48_33_8a_a_a_27a:B-Cs-Ge-O, expected CsGeB8O27 to be CsGeB3O7" +mp-1209187,RbSc(SO4)2,-7.0912606833,-2.4946429666,0.0,-0.00584297,GGA,P321,A8BC2D_hP12_150_dg_a_d_b:O-Rb-S-Sc,12.0,A8BC2D_hP12_150_dg_a_d_b:O-Rb-S-Sc +mp-555988,Na4UCr3O14,-7.4503665877,-2.2324440627,0.0,-0.0142286422,GGA+U,P-1,A3B4C14D_aP44_2_3i_4i_14i_i:Cr-Na-O-U,44.0,"Invalid WP multiplicities - A3B4C14D_aP44_2_6i_6i_26i_i:Cr-Na-O-U, expected Na6UCr6O26 to be Na4UCr3O14" +mp-556514,Ni5Sn(BO5)2,-7.179001394,-1.8603388435,0.0,-0.0296051013,GGA+U,Pnma,A2B5C10D_oP72_62_2c_a2cd_6c2d_c:B-Ni-O-Sn,72.0,"Invalid WP multiplicities - A2B5C10D_oP72_62_7c_2a8c5d_23c14d_c:B-Ni-O-Sn, expected Ni20SnB7O51 to be Ni5Sn(BO5)2" +mp-1219587,RbNbWO6,-8.5827645639,-2.6138643850000003,0.0,-0.0418145048,GGA+U,Imma,AB6CD_oI36_74_a_2ej_e_c:Nb-O-Rb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_e_c:Nb-O-Rb-W, expected RbNbWO12 to be RbNbWO6" +mp-505121,Na2Hg3S4,-2.9388418769,-0.7052984159,0.0,-0.0026282382,GGA,Pbca,A3B2C4_oP36_61_ac_c_2c:Hg-Na-S,36.0,A3B2C4_oP36_61_ac_c_2c:Hg-Na-S +mp-1180288,Na2Hg3(S2O)2,-3.1217637109,-0.3949211135,0.700639156,0.700639156,GGA,Ibam,A3B2C2D4_oI44_72_af_j_j_k:Hg-Na-O-S,22.0,A3B2C2D4_oI44_72_af_j_j_k:Hg-Na-O-S +mp-28858,Na2HgS2,-3.2059247058,-0.9615985686,0.0,-0.0458592583,GGA,Pbca,AB2C2_oP40_61_c_2c_2c:Hg-Na-S,40.0,AB2C2_oP40_61_c_2c_2c:Hg-Na-S +mp-1201446,Na2HgS2O7,-5.3158752792,-1.4951709738,0.397808846,0.397808846,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Hg-Na-O-S,48.0,AB2C7D2_mP48_14_e_2e_7e_2e:Hg-Na-O-S +mp-1203163,GdV(SeO4)2,-7.9769886575,-2.1665419112,0.0,-0.0003246771,GGA+U,P2_1/m,AB8C2D_mP48_11_2e_6e5f_4e_f:Gd-O-Se-V,48.0,AB8C2D_mP48_11_2e_6e5f_4e_f:Gd-O-Se-V +mp-568861,CsAuN12,-7.2862334586,0.1571396466,0.2766042718,0.2766042718,GGA,C2/c,ABC12_mC56_15_e_e_6f:Au-Cs-N,28.0,"Invalid WP multiplicities - ABC12_mC56_15_e_e_17f:Au-Cs-N, expected CsAuN34 to be CsAuN12" +mp-1192000,CsH3AuN,-4.1393116388,-0.3586520667,0.0255623187,0.0255623187,GGA,C2/c,ABC3D_mC48_15_f_f_3f_f:Au-Cs-H-N,24.0,ABC3D_mC48_15_f_f_3f_f:Au-Cs-H-N +mp-1208182,TlH2NCl2,-3.7685660471,-0.2382888001,0.6737853326000001,0.6737853326000001,GGA,I4_1/amd,A2B2CD_tI48_141_h_h_c_d:Cl-H-N-Tl,24.0,A2B2CD_tI48_141_h_h_c_d:Cl-H-N-Tl +mp-644118,H5N2Cl,-3.7199215425,0.7157230494,1.3582123577,1.3582123577,GGA,Fdd2,AB5C2_oF128_43_b_5b_2b:Cl-H-N,32.0,AB5C2_oF128_43_b_5b_2b:Cl-H-N +mp-1181786,H5N2Cl,-4.6326090941,-0.1969645022,0.4455248061,0.4455248061,GGA,Fdd2,AB5C2_oF128_43_b_5b_2b:Cl-H-N,32.0,AB5C2_oF128_43_b_5b_2b:Cl-H-N +mp-1181751,H3NCl,-4.4203663938,-0.3477244498,0.3712161323,0.3712161323,GGA,P1,AB3C_aP40_1_8a_24a_8a:Cl-H-N,40.0,AB3C_aP40_1_8a_24a_8a:Cl-H-N +mp-760361,H3NCl,-4.5727806533,-0.5001387093,0.2188018728,0.2188018728,GGA,Pa-3,AB3C_cP40_205_c_d_c:Cl-H-N,40.0,AB3C_cP40_205_c_d_c:Cl-H-N +mp-1200750,H3NCl,-4.724293007,-0.6516510630000001,0.067289519,0.067289519,GGA,Pa-3,AB3C_cP40_205_c_d_c:Cl-H-N,40.0,AB3C_cP40_205_c_d_c:Cl-H-N +mp-24375,TlH4NCl4,-4.095550962,-0.9291320728,0.0,-0.020824761,GGA,I4_1/a,A4B4CD_tI40_88_f_f_a_b:Cl-H-N-Tl,20.0,A4B4CD_tI40_88_f_f_a_b:Cl-H-N-Tl +mp-34337,H4NCl,-4.7220458283,-0.7627232008,0.0,-0.2090305167,GGA,P-43m,AB4C_cP6_215_a_e_b:Cl-H-N,6.0,AB4C_cP6_215_a_e_b:Cl-H-N +mp-1023132,K2Cu(ClF)2,-4.11356211,-2.1364141359,0.0,-0.0180563033,GGA,Cmce,A2BC2D2_oC28_64_d_a_f_d:Cl-Cu-F-K,14.0,A2BC2D2_oC28_64_d_a_f_d:Cl-Cu-F-K +mp-1147574,K2Cu(ClF)2,-4.0206374286,-2.0434894544,0.0929246814,0.0748683781,GGA,I4/mmm,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-F-K,7.0,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-F-K +mp-726796,HgSeNO3,-4.4794531179,0.0165723657,0.8913559121,0.8913559121,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Hg-N-O-Se,24.0,ABC3D_mP24_14_e_e_3e_e:Hg-N-O-Se +mp-989587,K2SBrCl6,-3.032665544,-1.1325159389,0.1113133864,0.1113133864,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Br-Cl-K-S,10.0,AB6C2D_cF40_225_a_e_c_b:Br-Cl-K-S +mp-1041643,AlSb(WO4)2,-8.2768155508,-2.1631199492,0.1691184137,0.1691184137,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sb-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sb-W +mp-1387660,AlSb(WO4)2,-5.2675391092,0.8461564925,3.1783948554,3.1783948554,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sb-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Sb-W +mp-1041645,AlSb(WO4)2,-8.2568505975,-2.1431549958,0.1890833671,0.1890833671,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Sb-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Sb-W +mp-15103,Sr3Y2(GeO4)3,-7.6398257242,-3.0782871899,0.0,-0.0270170973,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Y,80.0,A3B12C3D2_cI160_230_d_h_c_a:Ge-O-Sr-Y +mp-683922,Ce6Ge9(BO15)2,-7.8198749193,-2.7355083128,0.0668268835,0.0668268835,GGA,P2_1/c,A2B6C9D30_mP94_14_e_3e_a4e_15e:B-Ce-Ge-O,94.0,"Invalid WP multiplicities - A2B6C9D30_mP94_14_e_11e_2a16e_59e:B-Ce-Ge-O, expected Ce11Ge17BO59 to be Ce6Ge9(BO15)2" +mp-1206237,Ba2AgIO6,-5.665915748,-1.8835152979,0.0030408031,0.0030408031,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Ag-Ba-I-O,10.0,AB2CD6_cF40_225_a_c_b_e:Ag-Ba-I-O +mp-1209645,Sr3Ho2(BO3)4,-8.1448671642,-3.3681467014,0.0279275844,0.0279275844,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Ho-O-Sr,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:B-Ho-O-Sr +mp-1112244,K2TiCuF6,-5.463786895,-2.8953498564,0.29112566,0.29112566,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-F-K-Ti +mp-1025502,TiCuF6,-5.9305462787,-2.9975997173,0.0,-0.0126945037,GGA,P-1,AB6C_aP8_2_b_3i_d:Cu-F-Ti,8.0,AB6C_aP8_2_b_3i_d:Cu-F-Ti +mp-23353,Cu2HgI4,-2.5310632386,-0.474554795,0.0,-0.0067492085,GGA,I-42m,A2BC4_tI14_121_d_a_i:Cu-Hg-I,7.0,A2BC4_tI14_121_d_a_i:Cu-Hg-I +mp-1226137,Cu2HgI4,-1.1713005514,0.8852078921000001,1.3597626871,1.3530134787,GGA,Cmmm,A2BC4_oC14_65_e_a_n:Cu-Hg-I,7.0,A2BC4_oC14_65_e_a_n:Cu-Hg-I +mp-673698,Cu2HgI4,-2.2811527179,-0.2246442743,0.2499105207,0.2431613122,GGA,Cccm,A2BC4_oC28_66_ce_f_m:Cu-Hg-I,14.0,"Invalid WP multiplicities - A2BC4_oC28_66_2c2e_f_m:Cu-Hg-I, expected Cu4HgI4 to be Cu2HgI4" +mp-568598,Cu2HgI4,-2.5292508971,-0.4727424536,0.0018123414,-0.0049368671,GGA,P-42m,A2BC4_tP7_111_e_b_n:Cu-Hg-I,7.0,A2BC4_tP7_111_e_b_n:Cu-Hg-I +mp-542426,CuHgSI,-2.9407425181,-0.4375667052,0.0209946752,0.0209946752,GGA,Pna2_1,ABCD_oP16_33_a_a_a_a:Cu-Hg-I-S,16.0,ABCD_oP16_33_a_a_a_a:Cu-Hg-I-S +mp-25290,Co(WO4)2,-8.2968550009,-1.6970288241,0.1920130039,0.1920130039,GGA+U,P-1,AB8C2_aP11_2_a_4i_i:Co-O-W,11.0,"Invalid WP multiplicities - AB8C2_aP11_2_a_8i_i:Co-O-W, expected Co(WO8)2 to be Co(WO4)2" +mp-1047617,Co(WO4)2,-8.2879810882,-1.6881549114,0.2008869166,0.2008869166,GGA+U,P2/c,AB8C2_mP22_13_e_4g_g:Co-O-W,22.0,AB8C2_mP22_13_e_4g_g:Co-O-W +mp-1047724,AlCo(WO4)2,-8.5405040025,-2.1785320212,0.1303328011,0.1303328011,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Al-Co-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Al-Co-O-W +mp-1252502,AlCo(WO4)2,-8.6190156992,-2.2570437179,0.0518211045,0.0518211045,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Al-Co-O-W,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_14i_4i:Al-Co-O-W, expected AlCo(W2O7)2 to be AlCo(WO4)2" +mp-1041685,AlCo(WO4)2,-8.53400474,-2.1720327587,0.1368320636,0.1368320636,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Co-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Co-O-W +mp-753391,Co3WO8,-7.5777220658,-1.4230059571,0.0929147351,0.0929147351,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Co-O-W,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Co-O-W, expected Co3WO30 to be Co3WO8" +mp-19092,CoWO4,-8.5655365125,-1.9233360342,0.0,-0.033787231,GGA+U,P2/c,AB4C_mP12_13_e_2g_f:Co-O-W,12.0,AB4C_mP12_13_e_2g_f:Co-O-W +mp-1042536,CoW2O7,-8.624476444999999,-1.8593365216,0.1713910296,0.1713910296,GGA+U,P2_1/c,AB7C2_mP80_14_2e_14e_4e:Co-O-W,80.0,"Invalid WP multiplicities - AB7C2_mP80_14_2e_17e_7e:Co-O-W, expected Co2W7O17 to be CoW2O7" +mp-555012,La6S4N3Cl,-7.4077007014,-2.1919961634,0.0512165818,0.0512165818,GGA,Pnma,AB6C3D4_oP56_62_c_6c_3c_4c:Cl-La-N-S,56.0,"Invalid WP multiplicities - AB6C3D4_oP56_62_c_22c_10c_13c:Cl-La-N-S, expected La22S13N10Cl to be La6S4N3Cl" +mp-559256,La4S3NCl3,-6.7453680991,-2.5603241968,0.0,-0.0182702705,GGA,P6_3mc,A3B4CD3_hP22_186_c_bc_b_c:Cl-La-N-S,22.0,"Invalid WP multiplicities - A3B4CD3_hP22_186_c_2b2c_b_c:Cl-La-N-S, expected La8S3NCl3 to be La4S3NCl3" +mp-640389,Cs2Th(PS3)3,-5.407257877,-1.2290832559,0.0,-0.0236725525,GGA,P-1,A2B3C9D_aP60_2_4i_6i_18i_2i:Cs-P-S-Th,60.0,"Invalid WP multiplicities - A2B3C9D_aP60_2_8i_10i_36i_2i:Cs-P-S-Th, expected Cs4ThP5S18 to be Cs2Th(PS3)3" +mp-1197467,Cs5Th(PS4)3,-5.0296358256,-1.3263893478,0.0,-0.1100096892,GGA,P2_1/c,A5B3C12D_mP84_14_5e_3e_12e_e:Cs-P-S-Th,84.0,A5B3C12D_mP84_14_5e_3e_12e_e:Cs-P-S-Th +mp-1208141,UMo4PbO16,-8.4866368725,-2.2351061043,0.0,-0.0011637805,GGA+U,P2/c,A4B16CD_mP44_13_2g_ef7g_e_f:Mo-O-Pb-U,44.0,A4B16CD_mP44_13_2g_ef7g_e_f:Mo-O-Pb-U +mp-1195253,KIn(TeO3)2,-5.752468548,-1.7695858749000002,0.0,-0.002070918,GGA,Pnma,ABC6D2_oP40_62_c_c_2c2d_2c:In-K-O-Te,40.0,ABC6D2_oP40_62_c_c_2c2d_2c:In-K-O-Te +mp-1247078,Mg2GaW3S8,-6.6007695929,-1.0154377537,0.2110965405,0.2110965405,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Ga-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_mC28_8_a_2a_4a4b_ab:Ga-Mg-S-W, expected Mg2Ga(WS4)3 to be Mg2GaW3S8" +mp-1246951,MgGaWS4,-5.8797835393,-1.0037398579,0.2281896539,0.2281896539,GGA,Imm2,ABC4D_oI28_44_c_ab_2c2d_d:Ga-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_c_ab_4c3d_d:Ga-Mg-S-W, expected MgGaWS7 to be MgGaWS4" +mp-1247139,Mg2Ga3WS8,-5.1623246243,-0.9955691005,0.213739149,0.213739149,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Ga-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Ga-Mg-S-W, expected Mg2Ga3WS22 to be Mg2Ga3WS8" +mp-1222735,Li2VCrS4,-6.1753870675,-1.2878122249,0.0194284557,0.0194284557,GGA,C2/m,AB2C4D_mC16_12_a_i_2i_d:Cr-Li-S-V,8.0,"Invalid WP multiplicities - AB2C4D_mC16_12_a_i_4i_c:Cr-Li-S-V, expected Li2VCrS8 to be Li2VCrS4" +mp-1210920,LiGd(WO4)2,-9.4307372758,-2.6411693378,0.0,-0.0015524687,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Gd-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Gd-Li-O-W +mp-1222332,LiGd(WO4)2,-9.3680701733,-2.5785022353,0.0626671025,0.0611146338,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Gd-Li-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Gd-Li-O-W, expected LiGd(WO6)2 to be LiGd(WO4)2" +mp-1212390,K2TaAgS2,-4.5829704492,-0.3856319057,0.6709407726000001,0.6709407726000001,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Ag-K-S-Ta,,AB2C2D_oF96_70_c_h_h_d:Ag-K-S-Ta +mp-573202,K3Ta2Ag3S8,-5.450250775,-1.1604995846,0.0,-0.0256691794,GGA,C2/c,A3B3C8D2_mC64_15_ef_af_4f_f:Ag-K-S-Ta,32.0,"Invalid WP multiplicities - A3B3C8D2_mC64_15_2e2f_2a3f_13f_f:Ag-K-S-Ta, expected K4TaAg3S13 to be K3Ta2Ag3S8" +mp-672118,K2TaAgS4,-5.4548682775,-1.2727519031,0.011910575,0.0084364068,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-S-Ta,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-S-Ta +mp-15216,K2TaAgS4,-5.4667788525,-1.2846624781,0.0,-0.0034741682,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-K-S-Ta,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-K-S-Ta +mp-1019968,LaZn(BO2)5,-8.175154439,-2.9363546342,0.0046921149,0.0046921149,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-La-O-Zn,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-La-O-Zn +mp-1196177,GdPS4,-7.3848107648,-1.3789400624,0.0,-0.0825505348,GGA,I4_1/acd,ABC4_tI96_142_ab_e_2g:Gd-P-S,48.0,ABC4_tI96_142_ab_e_2g:Gd-P-S +mp-684036,Ba3Gd2(PS4)4,-6.3668998662,-1.4970767783,0.0,-0.0197129917,GGA,Pbcn,A3B2C4D16_oP100_60_cd_d_2d_8d:Ba-Gd-P-S,100.0,"Invalid WP multiplicities - A3B2C4D16_oP100_60_c2d_d_8d_56d:Ba-Gd-P-S, expected Ba5Gd2(PS7)16 to be Ba3Gd2(PS4)4" +mp-1191365,GdPS,-9.6155429904,-1.7402514526,0.0,-0.0612175329,GGA,Pnma,ABC_oP24_62_2c_d_2c:Gd-P-S,24.0,ABC_oP24_62_2c_d_2c:Gd-P-S +mp-1246825,Mg2VNi3S8,-5.3698056336,-0.8900574089000001,0.1762646314,0.1762646314,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Ni-S-V,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c3h_a:Mg-Ni-S-V, expected Mg2VNi3S22 to be Mg2VNi3S8" +mp-1246942,Mg2V3NiS8,-6.0958240393,-1.1441087589,0.1360720655,0.1360720655,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Ni-S-V,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Mg-Ni-S-V, expected Mg2V3NiS16 to be Mg2V3NiS8" +mp-1028397,Mg14VNi,-2.2348113262,0.0944363894,0.1460094929,0.1460094929,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-V, expected Mg18VNi to be Mg14VNi" +mp-1028361,Mg14VNi,-2.2270856244,0.1021620912,0.1537351947,0.1537351947,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-V, expected Mg26VNi to be Mg14VNi" +mp-4909,V2NiS4,-6.8700275857,-1.0852064018,0.001574171,0.001574171,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ni-S-V,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_4i_i:Ni-S-V, expected V2NiS8 to be V2NiS4" +mp-1021965,Mg6VNi,-2.8786685494,0.1795468319,0.2613345292,0.2613345292,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-V, expected Mg12VNi to be Mg6VNi" +mp-1022039,Mg6VNi,-2.8787836169,0.1794317644,0.2612194617,0.2612194617,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-V, expected Mg12VNi to be Mg6VNi" +mp-676058,V3NiS6,-6.881472818,-1.0964174089,0.0248144327,0.0248144327,GGA,R-3,AB6C3_hR30_148_a_f_bc:Ni-S-V,10.0,AB6C3_hR30_148_a_f_bc:Ni-S-V +mp-1246524,MgVNiS4,-5.7327064764,-1.0169747239,0.1562767085,0.1562767085,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Ni-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Ni-S-V, expected MgVNiS12 to be MgVNiS4" +mp-696867,V4NiS8,-6.9077877654,-1.122606235,0.0171762897,0.0171762897,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Ni-S-V,13.0,AB8C4_mC26_12_a_2ij_hi:Ni-S-V +mp-10476,NaEr(SO4)2,-7.0158929046,-2.537838444,0.0,-0.0004558228,GGA,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Er-Na-O-S,24.0,ABC8D2_mP24_11_e_e_4e2f_2e:Er-Na-O-S +mp-1192194,Ho8Rh5C12,-7.7646012536,-0.3956094048,0.0671790839,0.0671790839,GGA,C2/m,A12B8C5_mC50_12_6i_4i_a2i:C-Ho-Rh,25.0,A12B8C5_mC50_12_6i_4i_a2i:C-Ho-Rh +mp-567969,HoB2Rh2C,-7.5661308417,-0.583051901,0.0296003966,0.0296003966,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ho-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ho-Rh +mp-22664,HoRh3C,-7.697408394,-0.5166087995,0.0,-0.0653417385,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ho-Rh,5.0,ABC3_cP5_221_b_a_c:C-Ho-Rh +mp-1208041,TlCr(SO4)2,-6.8955627875,-1.9070544508,0.0089790178,0.0089790178,GGA+U,P321,AB8C2D_hP12_150_a_dg_d_b:Cr-O-S-Tl,12.0,AB8C2D_hP12_150_a_dg_d_b:Cr-O-S-Tl +mp-1209098,TlCr(SO10)2,-5.5257627899,-0.5581642659,0.4203200258,0.4203200258,GGA+U,Pa-3,AB20C2D_cP96_205_a_c3d_c_b:Cr-O-S-Tl,96.0,AB20C2D_cP96_205_a_c3d_c_b:Cr-O-S-Tl +mp-622278,TlV2SbO8,-7.4282858712,-2.0755386865,0.0,-0.02508058,GGA+U,Pnma,A8BCD2_oP48_62_4c2d_c_c_2c:O-Sb-Tl-V,48.0,"Invalid WP multiplicities - A8BCD2_oP48_62_14c13d_c_c_6c:O-Sb-Tl-V, expected TlV6SbO40 to be TlV2SbO8" +mp-1041222,CaHoV2O6,-8.567154429,-3.1235591133,0.0,-0.0018478063,GGA+U,Pc,ABC6D2_mP20_7_a_a_6a_2a:Ca-Ho-O-V,20.0,"Invalid WP multiplicities - ABC6D2_mP20_7_a_a_12a_4a:Ca-Ho-O-V, expected CaHoV4O12 to be CaHoV2O6" +mp-561403,Ba3V4PbO14,-7.9650129768,-2.7350657892,0.0,-0.0060842077,GGA+U,P-1,A3B14CD4_aP44_2_3i_14i_i_4i:Ba-O-Pb-V,44.0,"Invalid WP multiplicities - A3B14CD4_aP44_2_6i_28i_i_6i:Ba-O-Pb-V, expected Ba6V6PbO28 to be Ba3V4PbO14" +mp-646565,NaCe4I7N2,-5.4185540364,-1.7013085926,0.0,-0.0260869243,GGA,Pna2_1,A4B7C2D_oP56_33_4a_7a_2a_a:Ce-I-N-Na,56.0,"Invalid WP multiplicities - A4B7C2D_oP56_33_9a_27a_7a_a:Ce-I-N-Na, expected NaCe9I27N7 to be NaCe4I7N2" +mp-1111926,K2LiIrF6,-5.024011662,-2.5803087874,0.018296613,0.018296613,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ir-K-Li +mp-1110781,K2RbCeI6,-3.407289485,-1.6098275628,0.1083301676,0.1083301676,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Rb +mp-1111150,K2LiCoF6,-5.018013249,-2.7473220129,0.0,-0.0231514318,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-K-Li +mp-570453,Ba4W(N2Cl)2,-6.8650338623,-1.6216626795,0.0,-0.0227631522,GGA,P2_1/m,A4B2C4D_mP22_11_4e_2e_2ef_e:Ba-Cl-N-W,22.0,"Invalid WP multiplicities - A4B2C4D_mP22_11_8e_2e_4e2f_e:Ba-Cl-N-W, expected Ba8W(N4Cl)2 to be Ba4W(N2Cl)2" +mp-1213271,ErBeNF6,-5.7930833211,-2.669472165,0.5021479882000001,0.5021479882000001,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-N,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-N +mp-1181827,Er3NF10,-6.4030811418,-3.4634782111,0.369366437,0.369366437,GGA,Cmc2_1,A3B10C_oC112_36_2a2b_6a7b_2a:Er-F-N,56.0,"Invalid WP multiplicities - A3B10C_oC112_36_4a5b_10a20b_2a:Er-F-N, expected Er7NF25 to be Er3NF10" +mp-1215896,YPaO4,-10.1297198867,-4.1684047836,0.001638165,-0.4754000293,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-Pa-Y,6.0,A4BC_tP6_123_i_a_d:O-Pa-Y +mp-1100867,YPaO4,-10.1313580517,-4.1700429486,0.0,-0.4770381943,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-Pa-Y,12.0,A4BC_tI24_141_f_a_b:O-Pa-Y +mp-1205895,Ba2YPaO6,-8.686627264,-3.7367054719,0.0,-0.104968161,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pa-Y +mp-1212130,Li3Tb(NO3)6,-6.7640304765,-1.4275840104,0.0,-0.0051364656,GGA,P2_1/c,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Tb,112.0,A3B6C18D_mP112_14_3e_6e_18e_e:Li-N-O-Tb +mp-634446,CsAl(H2N)4,-5.25063608,-0.598581347,0.0,-0.0120847225,GGA,P4/n,ABC8D4_tP28_85_a_c_2g_g:Al-Cs-H-N,28.0,ABC8D4_tP28_85_a_c_2g_g:Al-Cs-H-N +mp-560365,Rb2Zr(IO3)6,-5.3960022552,-1.3815813782,0.0,-0.023744715,GGA,R-3,A6B18C2D_hR81_148_f_3f_c_a:I-O-Rb-Zr,27.0,"Invalid WP multiplicities - A6B18C2D_hR81_148_f_14f_c_a:I-O-Rb-Zr, expected Rb2Zr(IO14)6 to be Rb2Zr(IO3)6" +mp-556141,Ni3B7ClO13,-7.8498710792,-2.4227193149,0.0,-0.0477052678,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Ni-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_25a_a_6a_49a:B-Cl-Ni-O, expected Ni6B25ClO49 to be Ni3B7ClO13" +mp-1208868,Sm3W(ClO2)3,-7.9068532927,-3.111497071,0.0,-0.0209525622,GGA+U,P6_3/m,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Sm-W,26.0,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Sm-W +mp-562471,K4(CoO2)7,-6.2804277106,-1.3422892182,0.1296065048,0.1296065048,GGA+U,P6_3/m,A7B4C14_hP50_176_bi_ah_f2i:Co-K-O,50.0,"Invalid WP multiplicities - A7B4C14_hP50_176_2b3i_2a2h_4f11i:Co-K-O, expected K4Co10O37 to be K4(CoO2)7" +mp-28890,K2CoO2,-5.2823011165,-1.4378024942,0.0,-0.0210715174,GGA+U,P2_1/c,AB2C2_mP20_14_e_2e_2e:Co-K-O,20.0,AB2C2_mP20_14_e_2e_2e:Co-K-O +mp-1212013,K2CoO3,-5.4709787204,-1.44278175,0.0588143324,0.0588143324,GGA+U,Cmce,AB2C3_oC48_64_f_2f_e2f:Co-K-O,24.0,AB2C3_oC48_64_f_2f_e2f:Co-K-O +mp-1272824,KCoO2,-5.9707978969,-1.4427743558,0.0735493144,0.0237828761,GGA+U,P-1,ABC2_aP8_2_i_i_2i:Co-K-O,16.0,ABC2_mC16_12_i_i_2i:Co-K-O +mp-1289193,KCoO2,-6.0099910631,-1.481967522,0.0343561481,-0.0154102902,GGA+U,C2,ABC2_mC32_5_abc_abc_4c:Co-K-O,16.0,"Invalid WP multiplicities - ABC2_tI16_82_2ac_bd_g:Co-K-O, expected K2Co3O4 to be KCoO2" +mp-752556,KCoO2,-5.9702786225,-1.4422550814,0.0740685887,0.0243021504,GGA+U,C2/m,ABC2_mC16_12_i_i_2i:Co-K-O,16.0,ABC2_mC16_12_i_i_2i:Co-K-O +mp-1281871,KCoO2,-5.9733720956,-1.4453485545,0.0709751156,0.0212086773,GGA+U,C2/m,ABC2_mC16_12_i_i_2i:Co-K-O,16.0,ABC2_mC16_12_i_i_2i:Co-K-O +mp-2423265,KCoO2,-6.0004779006,-1.4724543595,0.0438693106,-0.0058971277,GGA+U,Immm,ABC2_oI16_71_e_e_fg:Co-K-O,16.0,ABC2_oI16_71_e_e_fg:Co-K-O +mp-557137,KCoO2,-6.0197829712,-1.4917594301,0.02456424,-0.0252021983,GGA+U,I-4,ABC2_tI16_82_ac_bd_g:Co-K-O,8.0,ABC2_tI16_82_ac_bd_g:Co-K-O +mp-1180771,KCoO2,-6.0443472112,-1.5163236701,0.0,-0.0497664383,GGA+U,I-4,ABC2_tI16_82_ac_bd_g:Co-K-O,8.0,ABC2_tI16_82_ac_bd_g:Co-K-O +mp-20528,KCoO2,-6.0119444588,-1.4839209176,0.0324027525,-0.0173636858,GGA+U,P4/nmm,ABC2_tP8_129_c_c_ac:Co-K-O,8.0,ABC2_tP8_129_c_c_ac:Co-K-O +mp-17522,K4Rb2Co2O5,-4.8960691177,-1.4073965731,0.0,-0.0207229218,GGA+U,P4_2/mnm,A2B4C5D2_tP26_136_f_de_aj_g:Co-K-O-Rb,26.0,"Invalid WP multiplicities - A2B4C5D2_tP26_136_f_2de_aj_g:Co-K-O-Rb, expected K6Rb2Co2O5 to be K4Rb2Co2O5" +mp-28825,K3CoO2,-4.6493775142,-1.2605621711,0.0,-0.0232810129,GGA+U,Pnma,AB3C2_oP24_62_c_cd_2c:Co-K-O,24.0,AB3C2_oP24_62_c_cd_2c:Co-K-O +mp-510366,K6Co2O5,-4.9286674431,-1.4200156871,0.0,-0.0125891923,GGA+U,P4_2/mnm,A2B6C5_tP26_136_f_deg_aj:Co-K-O,26.0,A2B6C5_tP26_136_f_deg_aj:Co-K-O +mp-1223941,K(CoO2)2,-6.1323323571,-1.1160767311,0.3473565257,0.2139570079,GGA+U,Amm2,A2BC4_oC14_38_c_a_2c:Co-K-O,7.0,"Invalid WP multiplicities - A2BC4_oC14_38_c_a_3c:Co-K-O, expected K(CoO3)2 to be K(CoO2)2" +mp-752629,K(CoO2)2,-6.4796888829,-1.4634332569,0.0,-0.1333995179,GGA+U,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Co-K-O,28.0,"Invalid WP multiplicities - A2BC4_oP28_59_2c2e_2ab_4e2g:Co-K-O, expected K3(CoO2)8 to be K(CoO2)2" +mp-1237274,K(CoO2)2,-6.0627156286,-1.0464600026,0.4169732543,0.2835737364,GGA+U,P-6m2,A2BC4_hP7_187_h_a_gi:Co-K-O,7.0,"Invalid WP multiplicities - A2BC4_hP7_187_h_a_g2i:Co-K-O, expected K(CoO3)2 to be K(CoO2)2" +mp-19141,K6Co2O7,-5.241021294,-1.5406312773000002,0.0,-0.1304386358,GGA+U,P2_1/c,A2B6C7_mP30_14_e_3e_a3e:Co-K-O,30.0,"Invalid WP multiplicities - A2B6C7_mP30_14_e_4e_a4e:Co-K-O, expected K8Co2O9 to be K6Co2O7" +mp-770883,K4Co2O5,-5.303803495,-1.3591057737,0.144472513,0.144472513,GGA+U,P4_2/mnm,A2B4C5_tP22_136_f_de_aj:Co-K-O,22.0,"Invalid WP multiplicities - A2B4C5_tP22_136_f_3d3e_2a2j:Co-K-O, expected K6CoO5 to be K4Co2O5" +mp-690511,K10Co4O9,-5.08285652,-1.4281843873,0.0,-0.0004353059,GGA+U,P1,A4B10C9_aP23_1_4a_10a_9a:Co-K-O,23.0,A4B10C9_aP23_1_4a_10a_9a:Co-K-O +mp-1184947,KCoO3,-5.643307976,-1.0315514009,0.289261468,0.289261468,GGA+U,Pm-3m,ABC3_cP5_221_b_a_c:Co-K-O,5.0,ABC3_cP5_221_b_a_c:Co-K-O +mp-554249,Bi6Cl3O7F,-5.6405944122000005,-1.8096035471,0.0,-0.0128918259,GGA,Pnma,A6B3CD7_oP68_62_6c_3c_c_7c:Bi-Cl-F-O,68.0,"Invalid WP multiplicities - A6B3CD7_oP68_62_24c_10c_c_24c:Bi-Cl-F-O, expected Bi24Cl10O24F to be Bi6Cl3O7F" +mp-28194,BiClF8,-3.792992818,-1.694907065,0.001206795,0.001206795,GGA,P-1,ABC8_aP20_2_ab_i_8i:Bi-Cl-F,20.0,ABC8_aP20_2_ab_i_8i:Bi-Cl-F +mp-1209420,Rb3Tm(PO4)2,-7.1064561379,-2.9766309704,0.0,-0.0400322136,GGA,P-3m1,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Tm,14.0,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Tm +mp-1209196,RbTmP2O7,-7.7912976436,-3.1631344175,0.0,-0.0238100817,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Tm,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Tm +mp-541168,RbTm(PO3)4,-7.7270524219,-2.9231721965,0.0079874326,0.0079874326,GGA,P2_1/c,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Tm,72.0,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Tm +mp-1211593,LiEr6B3O14,-8.563966089600001,-3.6220055481,0.017893082,0.017893082,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Er-Li-O,96.0,A3B6CD14_mP96_14_3e_6e_e_14e:B-Er-Li-O +mp-1211468,Li6Er(BO3)3,-7.0648030975,-2.8237699541,0.0,-0.0014603243,GGA,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Er-Li-O,76.0,A3BC6D9_mP76_14_3e_e_6e_9e:B-Er-Li-O +mp-662502,Hf(PS3)2,-6.0695219172,-1.0025782234,0.0152658483,-0.0259574676,GGA,P1,AB2C6_aP18_1_2a_4a_12a:Hf-P-S,18.0,AB2C6_aP18_1_2a_4a_12a:Hf-P-S +mp-14444,Hf(PS3)2,-6.0847877656,-1.0178440717,0.0,-0.0412233159,GGA,Fdd2,AB2C6_oF72_43_a_b_3b:Hf-P-S,18.0,"Invalid WP multiplicities - AB2C6_oF72_43_a_b_4b:Hf-P-S, expected Hf(PS4)2 to be Hf(PS3)2" +mp-1197320,Cs3Hf2P5S18,-5.5612084561,-1.1282371949,0.0,-0.037889105,GGA,Cc,A3B2C5D18_mC112_9_3a_2a_5a_18a:Cs-Hf-P-S,56.0,A3B2C5D18_mC112_9_3a_2a_5a_18a:Cs-Hf-P-S +mp-1216376,Y2Mn(GeO3)4,-7.9158445016,-2.6554585293,0.0,-0.0064000761,GGA+U,Cmme,A4BC12D2_oC76_67_o_c_mn2o_ae:Ge-Mn-O-Y,38.0,"Invalid WP multiplicities - A4BC12D2_oC76_67_o_c_3m2n9o_ae:Ge-Mn-O-Y, expected Y2Mn(Ge2O23)2 to be Y2Mn(GeO3)4" +mp-1245515,Bi4Te3N2,-4.7305543167,-0.1233471999999999,0.1734246133,0.1734246133,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Bi-N-Te,9.0,A4B2C3_mC18_12_2i_i_ai:Bi-N-Te +mp-1246983,Bi4Te3N2,-4.6056589628,0.0015481539,0.2983199672,0.2983199672,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:Bi-N-Te,18.0,A4B2C3_oP18_58_2g_g_ag:Bi-N-Te +mp-1245512,Bi4Te3N2,-4.6704551836,-0.0632480669,0.2335237464,0.2335237464,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Bi-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Bi-N-Te +mp-1246309,BiTeN,-4.9523637383,0.1543995778,0.4442002117,0.4442002117,GGA,P4/nmm,ABC_tP6_129_c_a_c:Bi-N-Te,6.0,ABC_tP6_129_c_a_c:Bi-N-Te +mp-1195032,BiTeNO6,-6.3246365181,-1.3245896052,0.0,-0.0135904894,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Bi-N-O-Te,36.0,ABC6D_mP36_14_e_e_6e_e:Bi-N-O-Te +mp-1220301,NbTlWO6,-8.5001091944,-2.3776413406,0.0,-0.0392376547,GGA+U,Imma,AB6CD_oI36_74_a_2ej_e_c:Nb-O-Tl-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_e_c:Nb-O-Tl-W, expected NbTlWO12 to be NbTlWO6" +mp-1224243,HfU(NbC2)2,-10.3232227225,-0.5274888363,0.04128462,0.04128462,GGA,R3m,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Nb-U,8.0,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Nb-U +mp-1216653,UNbC2,-10.37356878,-0.4110572712,0.0,-0.0944276153,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Nb-U,4.0,A2BC_hR12_166_c_a_b:C-Nb-U +mp-541895,Na2(ReS2)3,-6.8891035957,-0.9984371099,0.0,-0.0462299011,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Na-Re-S,44.0,A2B3C6_mC88_15_2ef_3f_6f:Na-Re-S +mp-1199483,NaRe(SO6)2,-6.0467139734,-0.9592004267,0.7339937836,0.7339937836,GGA,P2_1/c,AB12CD2_mP64_14_e_12e_e_2e:Na-O-Re-S,64.0,AB12CD2_mP64_14_e_12e_e_2e:Na-O-Re-S +mp-1216541,TmCoC,-7.2319940833,-0.2943878464,0.0575835333,0.0378306848,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Tm,3.0,ABC_tP3_123_a_b_c:C-Co-Tm +mp-19754,TmCoC,-7.2895776167,-0.3519713797,0.0,-0.0197528486,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Tm,6.0,ABC_tP6_131_c_a_f:C-Co-Tm +mp-1071818,TmCo2B2C,-7.3397627217,-0.4597760471,0.0273454228,0.0273454228,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Tm,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Tm +mp-13502,TmCoC2,-7.8743890875,-0.3640180367,0.0,-0.1000395019,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Tm,4.0,A2BC_oC8_38_d_a_b:C-Co-Tm +mp-1214089,Ca5As3CO12,-6.7281347857,-2.3188831361,0.3102518023,0.3102518023,GGA,P6_3/m,A3BC5D12_hP42_176_h_a_fh_2hi:As-C-Ca-O,42.0,A3BC5D12_hP42_176_h_a_fh_2hi:As-C-Ca-O +mp-22519,CeRh3C,-7.812814738,-0.3618790865,0.1457306565,0.1457306565,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ce-Rh,5.0,ABC3_cP5_221_b_a_c:C-Ce-Rh +mp-1205389,CeRhC2,-8.2045257556,-0.2658437531,0.1206207581,0.1206207581,GGA,P4_1,A2BC_tP16_76_2a_a_a:C-Ce-Rh,16.0,A2BC_tP16_76_2a_a_a:C-Ce-Rh +mp-637637,CeRhC2,-8.2054171525,-0.26673515,0.1197293612,0.1197293612,GGA,P4_3,A2BC_tP16_78_2a_a_a:C-Ce-Rh,16.0,"Invalid WP multiplicities - A2BC_tP16_78_4a_a_a:C-Ce-Rh, expected CeRhC4 to be CeRhC2" +mp-6191,CeB2Rh2C,-7.823437345,-0.6152450235,0.0,-0.0181139821,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Rh +mp-1220893,Nb3Sb(PO4)6,-8.2185144831,-2.7587127046,0.0,-0.0211985389,GGA,Pc,A3B24C6D_mP68_7_3a_24a_6a_a:Nb-O-P-Sb,68.0,"Invalid WP multiplicities - A3B24C6D_mP68_7_6a_48a_11a_a:Nb-O-P-Sb, expected Nb6SbP11O48 to be Nb3Sb(PO4)6" +mp-774586,Nb3Sb(PO4)6,-8.2137305926,-2.7539288141,0.0047838904,-0.0164146484,GGA,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Nb-O-P-Sb,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Nb-O-P-Sb, expected Nb3Sb(PO10)6 to be Nb3Sb(PO4)6" +mp-774502,NbSb3(PO4)6,-7.5525147962,-2.4440250059,0.0321670123,0.0321670123,GGA,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Nb-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Nb-O-P-Sb, expected NbSb3(PO10)6 to be NbSb3(PO4)6" +mp-13137,Hf2CS,-9.7843831688,-1.4645098139,0.0,-0.1159333188,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Hf-S,8.0,AB2C_hP8_194_a_f_c:C-Hf-S +mp-1224493,Hf4FeS8,-7.9558896015,-1.6950914273,0.0701600577,0.0701600577,GGA,C2/m,AB4C8_mC26_12_a_hi_2ij:Fe-Hf-S,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_hi_4ij:Fe-Hf-S, expected Hf4FeS12 to be Hf4FeS8" +mp-1223923,Hf2FeC2S,-8.7410911417,-0.244727788,0.7316120879,0.7316120879,GGA,P3m1,A2BC2D_hP6_156_2b_a_2c_a:C-Fe-Hf-S,6.0,A2BC2D_hP6_156_2b_a_2c_a:C-Fe-Hf-S +mp-1217519,ThV2PbO8,-8.4967458542,-2.7577602583000003,0.03022911,0.007864736,GGA+U,P-1,A8BCD2_aP24_2_8i_i_i_2i:O-Pb-Th-V,24.0,"Invalid WP multiplicities - A8BCD2_aP24_2_16i_i_i_4i:O-Pb-Th-V, expected ThV4PbO16 to be ThV2PbO8" +mp-1217362,ThV2PbO8,-8.499295445,-2.7603098492,0.0276795192,0.0053151452,GGA+U,I-4,A8BCD2_tI24_82_2g_a_c_bd:O-Pb-Th-V,12.0,"Invalid WP multiplicities - A8BCD2_tI24_82_3g_a_c_bd:O-Pb-Th-V, expected ThV2PbO12 to be ThV2PbO8" +mp-1217380,ThV2PbO8,-8.5269749642,-2.7879893683,0.0,-0.022364374,GGA+U,I-4m2,A8BCD2_tI24_119_2i_a_c_bd:O-Pb-Th-V,12.0,"Invalid WP multiplicities - A8BCD2_tI24_119_6i_a_c_bd:O-Pb-Th-V, expected ThV2PbO24 to be ThV2PbO8" +mp-1196034,Pr3Si2BO10,-8.6502775223,-3.5665505093,0.0,-0.0069468944,GGA,Pbca,AB10C3D2_oP128_61_c_10c_3c_2c:B-O-Pr-Si,128.0,AB10C3D2_oP128_61_c_10c_3c_2c:B-O-Pr-Si +mp-1110778,K2RbNdI6,-3.303964114,-1.6229963641,0.1176770547,0.1176770547,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Nd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Nd-Rb +mp-1110672,K2RbPrF6,-5.350156293,-3.4050451403,0.1424448305,0.1424448305,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Pr-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Pr-Rb +mp-1196564,ThMg(N3O13)2,-5.9465681447000005,-0.4275383111,0.5825134846000001,0.5825134846000001,GGA,P2_1/c,AB6C26D_mP68_14_a_3e_13e_d:Mg-N-O-Th,68.0,AB6C26D_mP68_14_a_3e_13e_b:Mg-N-O-Th +mp-1194848,CsTaV2O8,-8.5853267994,-2.71078498,0.0,-0.0163089065,GGA+U,P2_1/m,AB8CD2_mP48_11_2e_8e4f_2e_4e:Cs-O-Ta-V,48.0,AB8CD2_mP48_11_2e_8e4f_2e_4e:Cs-O-Ta-V +mp-1147557,BaNiIO6,-5.8501356189,-1.5331789258,0.0,-0.0689487766,GGA+U,P312,ABCD6_hP9_149_b_c_e_l:Ba-I-Ni-O,9.0,ABCD6_hP9_149_b_c_e_l:Ba-I-Ni-O +mp-1210130,Ni(IO5)2,-4.6297895035,-0.1533466963,0.5160138360000001,0.5160138360000001,GGA+U,P2_1/c,A2BC10_mP26_14_e_a_5e:I-Ni-O,26.0,A2BC10_mP26_14_e_a_5e:I-Ni-O +mp-755246,Ni(IO3)2,-5.2342987297,-0.9668541022,0.0,-0.0957061744,GGA+U,P2_1,A2BC6_mP18_4_2a_a_6a:I-Ni-O,36.0,A2BC6_mP18_4_2a_a_6a:I-Ni-O +mp-780326,Ni(IO3)2,-5.1799174892,-0.9124728617,0.0543812406,-0.0413249339,GGA+U,P2_1/c,A2BC6_mP36_14_2e_e_6e:I-Ni-O,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_3e_e_21e:I-Ni-O, expected Ni(IO7)3 to be Ni(IO3)2" +mp-779904,Ni(IO3)2,-5.1825520897,-0.9151074622,0.05174664,-0.0439595344,GGA+U,P2_12_12_1,A2BC6_oP36_19_2a_a_6a:I-Ni-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_19_5a_a_21a:I-Ni-O, expected NiI5O21 to be Ni(IO3)2" +mp-772376,Ni(IO3)2,-5.1886590514,-0.9212144239,0.0456396783,-0.0500664961,GGA+U,Pbcn,A2BC6_oP36_60_d_c_3d:I-Ni-O,36.0,"Invalid WP multiplicities - A2BC6_oP36_60_d_c_9d:I-Ni-O, expected Ni(IO9)2 to be Ni(IO3)2" +mp-726124,Ni(IO3)2,-5.0840444078,-0.8165997803,0.1502543219,0.0545481475,GGA+U,P-3m1,A2BC6_hP9_164_d_a_i:I-Ni-O,9.0,A2BC6_hP9_164_d_a_i:I-Ni-O +mp-1199764,Cs2NdN5O17,-6.2318894498,-0.9384840541,0.384110279,0.384110279,GGA,C2/c,A2B5CD17_mC100_15_f_e2f_e_e8f:Cs-N-Nd-O,50.0,A2B5CD17_mC100_15_f_e2f_e_e8f:Cs-N-Nd-O +mp-8977,Ca2PN3,-7.03399978,-1.2950019397,0.0,-0.4947000227,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-P,24.0,"Invalid WP multiplicities - A2B3C_oC48_64_2f_e3f_f:Ca-N-P, expected Ca2PN4 to be Ca2PN3" +mp-6404,BaCa2(PN2)6,-7.6515390601,-1.0587805439,0.0,-0.1428582228,GGA,Pa-3,AB2C12D6_cP84_205_a_c_2d_d:Ba-Ca-N-P,84.0,"Invalid WP multiplicities - AB2C12D6_cP84_205_a_c_5d_d:Ba-Ca-N-P, expected BaCa2(PN5)6 to be BaCa2(PN2)6" +mp-1013540,Ca3PN,-3.883477792,0.0698416223,1.160128552,1.031583177,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-N-P,5.0,A3BC_cP5_221_c_a_b:Ca-N-P +mp-11824,Ca3PN,-5.043606344,-1.0902869297,0.0,-0.128545375,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-N-P,5.0,A3BC_cP5_221_c_b_a:Ca-N-P +mp-557858,Cs3U2Ge2O11,-7.788626651399999,-2.8481456142,0.0,-0.0267687633,GGA,P2_1/c,A3B2C11D2_mP72_14_3e_2e_11e_ade:Cs-Ge-O-U,72.0,"Invalid WP multiplicities - A3B2C11D2_mP72_14_9e_6e_40e_2a2be:Cs-Ge-O-U, expected Cs9U3(Ge3O20)2 to be Cs3U2Ge2O11" +mp-1198094,Cs4U(Ge2O5)4,-6.8870793192,-2.3176545749,0.0,-0.0573532106,GGA,P2_1/c,A4B8C20D_mP66_14_2e_4e_10e_a:Cs-Ge-O-U,66.0,A4B8C20D_mP66_14_2e_4e_10e_a:Cs-Ge-O-U +mp-505473,Al(Ni10B7)2,-6.361389304,-0.2796808977,0.029769778,0.029769778,GGA,Fm-3m,AB14C20_cF140_225_a_ef_fh:Al-B-Ni,35.0,AB14C20_cF140_225_a_ef_fh:Al-B-Ni +mp-1214897,Al2(Ni7B2)3,-6.1736748221,-0.347799906,0.0,-0.0044112057,GGA,Fm-3m,A2B6C21_cF116_225_c_e_afh:Al-B-Ni,29.0,A2B6C21_cF116_225_c_e_afh:Al-B-Ni +mp-1228559,Al5Ni41B12,-6.1656499821,-0.3748537014,0.0004890426,0.0004890426,GGA,R-3m,A5B12C41_hR174_166_a2c_2h_b2cfg4h:Al-B-Ni,58.0,"Invalid WP multiplicities - A5B12C41_hR174_166_a3c_10h_b4c5f6g22h:Al-B-Ni, expected Al7(Ni69B20)3 to be Al5Ni41B12" +mp-1214877,AlNi2BO5,-7.5118610736,-2.3208961273,0.0,-0.0149617724,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:Al-B-Ni-O,36.0,ABC2D5_oP36_55_g_g_adh_3g2h:Al-B-Ni-O +mp-866315,Al(Ni3B2)4,-6.3548442857000005,-0.3290180878,0.0,-0.0105757865,GGA,Cmce,AB8C12_oC252_64_af_d5f3g_e3f7g:Al-B-Ni,126.0,AB8C12_oC252_64_af_d5f3g_e3f7g:Al-B-Ni +mp-505472,Al3(Ni10B3)2,-6.1586032272,-0.4028855819,0.0,-0.0172771237,GGA,Fm-3m,A3B6C20_cF116_225_ac_e_fh:Al-B-Ni,29.0,A3B6C20_cF116_225_ac_e_fh:Al-B-Ni +mp-1194505,AlNi9B8,-6.3529696881,-0.2861952371,0.0129364736,0.0129364736,GGA,Cmcm,AB8C9_oC72_63_c_2cfh_afgh:Al-B-Ni,36.0,AB8C9_oC72_63_c_2cfh_afgh:Al-B-Ni +mp-22430,BAsPbO5,-7.0472037792,-2.0741286789,0.0043767201,0.0043767201,GGA,P3_1,ABC5D_hP24_144_a_a_5a_a:As-B-O-Pb,24.0,ABC5D_hP24_144_a_a_5a_a:As-B-O-Pb +mp-622018,BAs5(Pb3O10)2,-6.5470149972,-1.8224949834,0.0,-0.0008538831,GGA,P-4,A5BC20D6_tP32_81_ah_d_5h_gh:As-B-O-Pb,32.0,"Invalid WP multiplicities - A5BC20D6_tP32_81_a2h_d_16h_2g2h:As-B-O-Pb, expected BAs9(Pb3O16)4 to be BAs5(Pb3O10)2" +mp-1204495,Tb2Ge(BO4)2,-8.348916499,-3.2086047078,0.0,-0.0186732306,GGA,Pbcn,A2BC8D2_oP52_60_d_c_4d_d:B-Ge-O-Tb,52.0,A2BC8D2_oP52_60_d_c_4d_d:B-Ge-O-Tb +mp-1190063,Tb5Ge3B,-5.4902571756,-0.632445416,0.1380420939,0.1380420939,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Ge-Tb,18.0,AB3C5_hP18_193_b_g_dg:B-Ge-Tb +mp-559715,Li2Cd(PO3)4,-7.0874058858,-2.5740264092,0.0055148534,0.0055148534,GGA,Pnma,AB2C12D4_oP76_62_c_d_4c4d_2cd:Cd-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_oP76_62_c_d_15c29d_7c4d:Cd-Li-O-P, expected Li2CdP15O73 to be Li2Cd(PO3)4" +mp-556786,LiCdPO4,-6.4480889786,-2.4435361245,0.0003824076,0.0003824076,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cd-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_16a_a:Cd-Li-O-P, expected LiCdPO16 to be LiCdPO4" +mp-9018,LiCdPO4,-6.4480179229,-2.4434650688,0.0004534633,0.0004534633,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cd-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_2c2d_c:Cd-Li-O-P, expected LiCdPO6 to be LiCdPO4" +mp-1338846,V2ZnCoO7,-7.5780765105,-2.0178315537,0.066728891,0.066728891,GGA+U,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Co-O-V-Zn,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_2e_17e_7e_3e:Co-O-V-Zn, expected V7Zn3Co2O17 to be V2ZnCoO7" +mp-1096023,VZnCo2,-3.6746855575,2.46538576,2.62192155,2.6195501275,GGA,Immm,A2BC_oI8_71_e_a_b:Co-V-Zn,4.0,A2BC_oI8_71_e_a_b:Co-V-Zn +mp-1187698,VZnCo2,-6.2966071075,-0.15653579,0.0,-0.0023714225,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-V-Zn,4.0,A2BC_cF16_225_c_a_b:Co-V-Zn +mp-551244,CsK2CoO2,-4.5964800217,-1.2434974411,0.0,-0.0115979431,GGA+U,I4/mmm,ABC2D2_tI12_139_a_b_d_e:Co-Cs-K-O,24.0,ABC2D2_tI12_139_a_b_d_e:Co-Cs-K-O +mp-9788,SrPS3,-5.331276638,-1.4288475259,0.0,-0.1655691623,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:P-S-Sr,20.0,AB3C_mP20_14_e_3e_e:P-S-Sr +mp-17090,SrTlPS4,-4.9333789343,-1.2174877094,0.0,-0.0321055804,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:P-S-Sr-Tl,28.0,AB4CD_oP28_62_c_2cd_c_c:P-S-Sr-Tl +mp-1228498,Ba2Sr(PO4)2,-7.5979031177,-3.2957832687,0.0082140682,0.0082140682,GGA,R-3m,A2B8C2D_hR39_166_c_ch_c_a:Ba-O-P-Sr,13.0,A2B8C2D_hR39_166_c_ch_c_a:Ba-O-P-Sr +mp-1227768,BaSr2(PO4)2,-7.5826267623,-3.2981593354,0.0143469826,0.0143469826,GGA,R-3m,AB8C2D2_hR39_166_a_ch_c_c:Ba-O-P-Sr,13.0,AB8C2D2_hR39_166_a_ch_c_c:Ba-O-P-Sr +mp-1208541,Tl3Cr2(PS4)3,-5.3801691627,-0.7666026476000001,0.0,-0.047071314,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cr-P-S-Tl,80.0,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cr-P-S-Tl +mp-1208392,TbMg(BO2)5,-8.347907212900001,-3.1068194414,0.0,-0.0023548603,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Tb,68.0,A5BC10D_mP68_14_5e_e_10e_e:B-Mg-O-Tb +mp-1245801,LiInN,-4.5583876558,-0.2260204819,0.0976085831,0.0976085831,GGA,Pnma,ABC_oP12_62_c_c_c:In-Li-N,12.0,ABC_oP12_62_c_c_c:In-Li-N +mp-1245812,LiInN,-4.23358044,0.0987867339,0.4224157989,0.4224157989,GGA,P-6m2,ABC_hP3_187_b_c_a:In-Li-N,3.0,ABC_hP3_187_b_c_a:In-Li-N +mp-1029562,Li3InN2,-4.6242038015,-0.4322967715,0.0,-0.0603638157,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:In-Li-N,48.0,AB3C2_cI96_206_c_e_ad:In-Li-N +mp-1200439,LiIn(CN2)2,-7.4107193609,-0.3527297007,0.0,-0.00501272,GGA,Pbcn,A2BCD4_oP32_60_d_c_c_2d:C-In-Li-N,32.0,A2BCD4_oP32_60_d_c_c_2d:C-In-Li-N +mp-1042600,TaAl(WO4)2,-9.24580275,-2.4880424492,0.2321866879,0.2321866879,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Ta-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Al-O-Ta-W +mp-1047653,TaAl(WO4)2,-9.3578835271,-2.6001232263,0.1201059108,0.1201059108,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Ta-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Ta-W +mp-1181658,HoC8N4Cl7,-5.8635945283,0.3712789282,1.0820977597,1.0820977597,GGA,P2_12_12,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Ho-N,40.0,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Ho-N +mp-1215303,ZrMoWO8,-9.0440664682,-2.5054309536,0.045245824,0.045245824,GGA+U,R3,AB8CD_hR99_146_b_8b_b_3a:Mo-O-W-Zr,33.0,AB8CD_hR99_146_b_8b_b_3a:Mo-O-W-Zr +mp-1215273,ZrMoWO8,-9.0433292045,-2.50469369,0.0459830876,0.0459830876,GGA+U,P3m1,AB8CD_hP11_156_a_ab2d_b_c:Mo-O-W-Zr,11.0,AB8CD_hP11_156_a_ab2d_b_c:Mo-O-W-Zr +mp-1215220,ZrMoW,-10.922491915,-0.138664925,0.0039302383,0.0039302383,GGA,Imma,ABC_oI12_74_a_c_e:Mo-W-Zr,6.0,ABC_oI12_74_a_c_e:Mo-W-Zr +mp-1105136,YTl(PSe3)2,-4.9757751885,-0.9126563746,0.0,-0.0476782081,GGA,P2_1,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Tl-Y,20.0,A2B6CD_mP20_4_2a_6a_a_a:P-Se-Tl-Y +mp-1067744,YTlSe2,-5.582376505,-1.6271422012,0.0,-0.0945894252,GGA,R-3m,A2BC_hR12_166_c_a_b:Se-Tl-Y,4.0,A2BC_hR12_166_c_a_b:Se-Tl-Y +mp-1663104,Tl3Co3O8,-5.9705989836,-1.1144280896,0.0782089863,0.0782089863,GGA+U,P1,A3B8C3_aP28_1_6a_16a_6a:Co-O-Tl,28.0,A3B8C3_aP28_1_6a_16a_6a:Co-O-Tl +mp-772043,Tl3Co3O8,-5.9751922786,-1.1190213846,0.0736156913,0.0736156913,GGA+U,P2_1,A3B8C3_mP28_4_3a_8a_3a:Co-O-Tl,28.0,"Invalid WP multiplicities - A3B8C3_mP28_4_4a_8a_3a:Co-O-Tl, expected Tl3(CoO2)4 to be Tl3Co3O8" +mp-1661984,Tl3Co3O8,-5.9324832096,-1.0763123157,0.1163247603,0.1163247603,GGA+U,Pm,A3B8C3_mP28_6_2a2c_2a2b6c_2b2c:Co-O-Tl,28.0,"Invalid WP multiplicities - A3B8C3_mP28_6_2a2c_2a2b10c_2b4c:Co-O-Tl, expected Tl5(CoO4)3 to be Tl3Co3O8" +mp-18789,TlCo(CO)4,-7.390297808,-0.7730600323,0.3725254603,0.3725254603,GGA+U,P2_13,A4BC4D_cP40_198_ab_a_ab_a:C-Co-O-Tl,40.0,"Invalid WP multiplicities - A4BC4D_cP40_198_4a4b_a_4a5b_a:C-Co-O-Tl, expected TlCoC16O19 to be TlCo(CO)4" +mp-770614,TlCoO3,-5.933432737,-1.0712273219,0.0990235645,0.0990235645,GGA+U,P-1,AB3C_aP20_2_abeh_6i_2i:Co-O-Tl,20.0,"Invalid WP multiplicities - AB3C_aP20_2_abeh_11i_3i:Co-O-Tl, expected Tl3Co2O11 to be TlCoO3" +mp-756464,TlCoO3,-5.9446741835,-1.0824687684,0.087782118,0.087782118,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Co-O-Tl,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Co-O-Tl, expected TlCoO7 to be TlCoO3" +mp-755788,TlCoO3,-5.967864613,-1.1056591979,0.0645916885,0.0645916885,GGA+U,R-3,AB3C_hR30_148_c_f_c:Co-O-Tl,10.0,AB3C_hR30_148_c_f_c:Co-O-Tl +mp-623058,Ti2Ag2P2S11,-5.4619769526,-0.8864681533000001,0.0029361053,0.0029361053,GGA,Pnma,A2B2C11D2_oP68_62_2c_2c_7c2d_d:Ag-P-S-Ti,68.0,"Invalid WP multiplicities - A2B2C11D2_oP68_62_4c_4c_26c15d_d:Ag-P-S-Ti, expected TiAg2(PS14)2 to be Ti2Ag2P2S11" +mp-541157,EuCd(BO2)5,-8.3090807426,-2.7770961823,0.0091750181,0.0091750181,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Cd-Eu-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Cd-Eu-O +mp-567458,Ho(PRu)2,-7.82654415,-1.0349803573,0.0,-0.04259281,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ho-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Ho-P-Ru +mp-1199917,Ho5P12Ru19,-8.1980842225,-0.8623808144,0.0,-0.0753782425,GGA,P-62m,A5B12C19_hP36_189_cg_2fk_afgjk:Ho-P-Ru,36.0,A5B12C19_hP36_189_cg_2fk_afgjk:Ho-P-Ru +mp-1205704,HoPRu2C,-8.229351247,-0.6747148572,0.0,-0.0258976837,GGA,Cmcm,ABCD2_oC20_63_a_c_c_f:C-Ho-P-Ru,10.0,ABCD2_oC20_63_a_c_c_f:C-Ho-P-Ru +mp-1519790,KDyTi4O12,-8.2713738944,-2.9014062062,0.2114341903,0.2114341903,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Dy-K-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Dy-K-O-Ti, expected KDyTi4O18 to be KDyTi4O12" +mp-1211619,KDyTiO4,-8.1692639343,-3.397916413,0.0108414754,0.0108414754,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Dy-K-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Dy-K-O-Ti +mp-1201916,Y2Te3MoO12,-7.5158885607,-2.3731788634,0.0011374173,0.0011374173,GGA+U,Pnma,AB12C3D2_oP72_62_c_4c4d_cd_d:Mo-O-Te-Y,72.0,AB12C3D2_oP72_62_c_4c4d_cd_d:Mo-O-Te-Y +mp-1247161,Mg2V3CrS8,-6.4747925714,-1.2464408061,0.0952605029,0.0952605029,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Cr-Mg-S-V, expected Mg2V3CrS22 to be Mg2V3CrS8" +mp-1247080,MgVCrS4,-6.5052360379,-1.2362313154,0.0600610862,0.0600610862,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Cr-Mg-S-V, expected MgVCrS12 to be MgVCrS4" +mp-1246399,MgV2(CrS4)2,-6.7089267462,-1.1577124335,0.0459822527,0.0459822527,GGA,Imm2,A2BC8D2_oI26_44_c_a_2c2d_d:Cr-Mg-S-V,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_c_a_3c4d_d:Cr-Mg-S-V, expected MgV2(CrS7)2 to be MgV2(CrS4)2" +mp-1246413,MgV3CrS8,-6.7127418915,-1.2053076865,0.0472888999,0.0472888999,GGA,R3m,ABC8D3_hR39_160_a_a_2a2b_b:Cr-Mg-S-V,13.0,"Invalid WP multiplicities - ABC8D3_hR39_160_a_a_2a6b_b:Cr-Mg-S-V, expected MgV3CrS20 to be MgV3CrS8" +mp-1021690,Mg6VCr,-3.2258620806,0.3164671494,0.3411140388,0.3411140388,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-V, expected Mg12VCr to be Mg6VCr" +mp-1021695,Mg6VCr,-3.2263328337,0.3159963963,0.3406432857,0.3406432857,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-V, expected Mg12VCr to be Mg6VCr" +mp-1028308,Mg14VCr,-2.4138077637,0.1574968763,0.1793249731,0.1793249731,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-V, expected Mg18VCr to be Mg14VCr" +mp-1028297,Mg14VCr,-2.4208422187,0.1504624213,0.1722905181,0.1722905181,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-V, expected Mg26VCr to be Mg14VCr" +mp-1246349,MgVCr3S8,-6.7137146454,-1.118720225,0.0212963305,0.0212963305,GGA,R3m,A3BC8D_hR39_160_b_a_2a2b_a:Cr-Mg-S-V,13.0,"Invalid WP multiplicities - A3BC8D_hR39_160_b_a_2a3b_a:Cr-Mg-S-V, expected MgVCr3S11 to be MgVCr3S8" +mp-1247066,Mg2VCr3S8,-6.5123925629,-1.2027348832,0.048148611,0.048148611,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c2h_a:Cr-Mg-S-V, expected Mg2VCr3S16 to be Mg2VCr3S8" +mp-560148,RbDy(WO4)2,-8.580931156,-2.6578402342,0.0,-0.0056674028,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Dy-O-Rb-W,48.0,"Invalid WP multiplicities - AB8CD2_mP48_14_e_30e_e_5e:Dy-O-Rb-W, expected RbDy(WO6)5 to be RbDy(WO4)2" +mp-1209321,RbO2F,-4.4376848641,-1.2413372484,0.1959319891,0.1959319891,GGA,P-42_1m,AB2C_tP32_113_2e_2f_ace:F-O-Rb,32.0,AB2C_tP32_113_2e_2f_ace:F-O-Rb +mp-1189074,Rb2AlOF5,-5.1214095894,-2.8757731979,0.2244236491,0.2244236491,GGA,Cmcm,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Rb,18.0,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Rb +mp-556959,VZnSe2O7,-6.423269858,-1.6994249839000002,0.0,-0.0159214214,GGA+U,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-Se-V-Zn,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_25e_4e_e_e:O-Se-V-Zn, expected VZnSe4O25 to be VZnSe2O7" +mp-557660,RbV2CrO7,-8.1387320559,-2.3725307231,0.0229470791,0.0229470791,GGA+U,P2/c,AB7CD2_mP22_13_a_e3g_f_g:Cr-O-Rb-V,22.0,AB7CD2_mP22_13_a_f3g_e_g:Cr-O-Rb-V +mp-1110836,K2LiNdF6,-5.559545039,-3.5228708392,0.0882201083,0.0882201083,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Nd +mp-557798,K5Li2NdF10,-5.1857516867,-3.3383751547,0.0,-0.0018151717,GGA,Pnma,A10B5C2D_oP72_62_6c2d_c2d_2c_c:F-K-Li-Nd,72.0,"Invalid WP multiplicities - A10B5C2D_oP72_62_23c14d_3c13d_5c_c:F-K-Li-Nd, expected K29Li5NdF51 to be K5Li2NdF10" +mp-561561,Cs2KRhF6,-4.819195582,-2.6457570454,0.0,-0.0837720343,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Rh,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Rh +mp-1111923,K2LiRuF6,-5.145970408,-2.6586706974,0.0,-0.0269291627,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ru,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ru +mp-1110665,K2RbTaF6,-5.522706738,-2.8699083979,0.2912908586,0.2912908586,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ta,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Rb-Ta +mp-561124,Ho3Se4O12F,-6.9344186407,-2.4842878396,0.0073954393,0.0073954393,GGA,P6_3mc,AB3C12D4_hP40_186_b_c_2cd_bc:F-Ho-O-Se,40.0,"Invalid WP multiplicities - AB3C12D4_hP40_186_b_c_12c8d_2b3c:F-Ho-O-Se, expected Ho3Se11O84F to be Ho3Se4O12F" +mp-1195358,Ho2SeOF2,-7.3109109744,-3.7391816638,0.004641249,0.004641249,GGA,P6_3/m,A2B2CD_hP36_176_2h_2h_h_h:F-Ho-O-Se,36.0,A2B2CD_hP36_176_2h_2h_h_h:F-Ho-O-Se +mp-558538,HoSeO3F,-6.9580170258,-2.8197061177,0.000908825,0.000908825,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-Ho-O-Se,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_8e_e:F-Ho-O-Se, expected HoSeO8F to be HoSeO3F" +mp-1095263,HoSeF,-6.5135806192,-3.1836475141,0.0020506014,0.0020506014,GGA,Pnma,ABC_oP12_62_c_c_c:F-Ho-Se,12.0,ABC_oP12_62_c_c_c:F-Ho-Se +mp-1195065,HoSeF,-6.4935226581,-3.163589553,0.0221085625,0.0221085625,GGA,Pnma,ABC_oP36_62_3c_3c_3c:F-Ho-Se,36.0,ABC_oP36_62_3c_3c_3c:F-Ho-Se +mp-1110780,K2RbMoI6,-3.407115589,-1.1183975714,0.1615232266,0.1615232266,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Mo-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Mo-Rb +mp-1112599,Cs2KAuF6,-4.11946993,-2.3550739804,0.03490071,0.03490071,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Au-Cs-F-K +mp-1112322,CsK2AuF6,-4.002753576,-2.2168579689,0.191784019,0.191784019,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Au-Cs-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Au-Cs-F-K +mp-1147584,NaCuSI,-3.1697692425,-0.4118821974,0.5532179908,0.5532179908,GGA,P4/mmm,ABCD_tP4_123_a_c_d_b:Cu-I-Na-S,4.0,ABCD_tP4_123_a_c_d_b:Cu-I-Na-S +mp-1225106,DyV2Fe10N,-8.4583418057,-0.1861056625,0.1556028143,0.1556028143,GGA,Immm,AB10CD2_oI28_71_a_efhk_c_g:Dy-Fe-N-V,14.0,AB10CD2_oI28_71_a_efhk_c_g:Dy-Fe-N-V +mp-1209775,Sr3Yb2(BO3)4,-7.6087625155,-3.1218325851,0.0,-0.0107398379,GGA,Pna2_1,A4B12C3D2_oP84_33_4a_12a_3a_2a:B-O-Sr-Yb,,A4B12C3D2_oP84_33_4a_12a_3a_2a:B-O-Sr-Yb +mp-2646948,YbBH4,-3.8317565708,-0.2001058657,0.2519403457,0.2519403457,GGA,P4_2/nmc,AB4C_tP48_137_g_2gh_f:B-H-Yb,,AB4C_tP48_137_g_2gh_f:B-H-Yb +mp-1202882,NaYb(BH4)4,-4.0730255075,-0.2610565358,0.0469659941,0.0469659941,GGA,Cmcm,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Yb,,A4B16CD_oC88_63_fg_2f2g2h_a_c:B-H-Na-Yb +mp-941221,Li(BH)5,-5.0989198294,-0.3471460161,0.0552417815,0.0552417815,GGA,P6_422,A5B5C_hP66_181_i2k_i2k_f:B-H-Li,66.0,A5B5C_hP66_181_i2k_i2k_f:B-H-Li +mp-1211100,LiB3H8,-4.3872878721,-0.2965456605,0.0284574529,0.0284574529,GGA,Cmcm,A3B8C_oC48_63_cf_fgh_c:B-H-Li,24.0,"Invalid WP multiplicities - A3B8C_oC48_63_cf_f2g2h_c:B-H-Li, expected LiB3H14 to be LiB3H8" +mp-1210701,Li2(BH)11,-5.0799958275,-0.3045315897,0.0981073966,0.0981073966,GGA,Fmm2,A11B11C2_oF96_42_a2cde_a2cde_b:B-H-Li,24.0,A11B11C2_oF96_42_a2cde_a2cde_b:B-H-Li +mp-1211283,Li(BH)4,-4.9136023544,-0.2250030067,0.1767149546,0.1767149546,GGA,I-42m,A4B4C_tI36_121_2i_2i_d:B-H-Li,18.0,A4B4C_tI36_121_2i_2i_d:B-H-Li +mp-568523,LiBH2,-3.7468895869,0.096552095,0.5405136914,0.5405136914,GGA,Pnma,AB2C_oP16_62_c_2c_c:B-H-Li,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:B-H-Li, expected LiBH5 to be LiBH2" +mp-1211289,Li(BH)3,-4.8492771157,-0.259951928,0.1407134333,0.1407134333,GGA,Fm-3m,A3B3C_cF56_225_e_e_c:B-H-Li,14.0,A3B3C_cF56_225_e_e_c:B-H-Li +mp-1211362,Li(BH)6,-5.1960738735,-0.4005638918,0.0022876388,-0.0803905447,GGA,P2_1/c,A6B6C_mP52_14_6e_6e_e:B-H-Li,52.0,A6B6C_mP52_14_6e_6e_e:B-H-Li +mp-1211296,Li(BH)6,-5.1504213319,-0.3549113503,0.0479401803,-0.0347380031,GGA,Fm-3,A6B6C_cF104_202_h_h_c:B-H-Li,26.0,A6B6C_cF104_202_h_h_c:B-H-Li +mp-1198726,Li(BH)6,-5.1983615122,-0.4028515305,0.0,-0.0826781834,GGA,Pa-3,A6B6C_cP104_205_2d_2d_c:B-H-Li,104.0,A6B6C_cP104_205_2d_2d_c:B-H-Li +mp-1210808,Li2(BH)5,-4.577638405,-0.0627688373,0.337107074,0.337107074,GGA,R3m,A5B5C2_hR36_160_2ab_2ab_2a:B-H-Li,12.0,A5B5C2_hR36_160_2ab_2ab_2a:B-H-Li +mp-23694,LiBH,-4.2620262708,-0.2683460433,0.1260037178,0.1260037178,GGA,Pnma,ABC_oP12_62_c_c_c:B-H-Li,12.0,ABC_oP12_62_c_c_c:B-H-Li +mp-1222578,LiSc(BH4)4,-4.4323820157,-0.3759012986,0.0,-0.0566025135,GGA,Ccc2,A4B16CD_oC88_37_2d_8d_a_b:B-H-Li-Sc,44.0,"Invalid WP multiplicities - A4B16CD_oC88_37_3d_12d_a_b:B-H-Li-Sc, expected LiSc(BH4)6 to be LiSc(BH4)4" +mp-1210763,Li2(BH)7,-4.8994434394,-0.2542765366,0.1469809122,0.1469809122,GGA,C2,A7B7C2_mC32_5_a3c_a3c_2b:B-H-Li,16.0,A7B7C2_mC32_5_a3c_a3c_2b:B-H-Li +mp-655001,Li3BH6,-3.4538378385,-0.1775861744,0.290751853,0.290751853,GGA,P1,AB6C3_aP20_1_2a_12a_6a:B-H-Li,20.0,AB6C3_aP20_1_2a_12a_6a:B-H-Li +mp-1180683,Li3BH6,-3.480217057,-0.2039653929,0.2643726345,0.2643726345,GGA,P1,AB6C3_aP20_1_2a_12a_6a:B-H-Li,20.0,AB6C3_aP20_1_2a_12a_6a:B-H-Li +mp-1180675,Li3BH6,-3.4014566125,-0.1252049484,0.343133079,0.343133079,GGA,R-3,AB6C3_hR60_148_ab_2f_f:B-H-Li,20.0,AB6C3_hR60_148_ab_2f_f:B-H-Li +mp-1180894,Li3BH6,-3.128713754,0.1475379101,0.6158759375,0.6158759375,GGA,R-3,AB6C3_hR60_148_ab_2f_f:B-H-Li,20.0,AB6C3_hR60_148_ab_2f_f:B-H-Li +mp-675926,LiBH4,-4.1002875675,-0.4070844313,0.0431254917,-0.0992695056,GGA,P-1,AB4C_aP12_2_i_4i_i:B-H-Li,12.0,AB4C_tP12_137_a_g_b:B-H-Li +mp-1407206,LiBH4,-4.0965244933,-0.4033213571,0.0468885658,-0.0955064314,GGA,P2_1/m,AB4C_mP12_11_e_2ef_e:B-H-Li,12.0,AB4C_tP12_137_a_g_b:B-H-Li +mp-1190655,LiBH4,-3.354475555,0.3387275812,0.7889375042000001,0.6465425069,GGA,P2/c,AB4C_mP24_13_g_4g_g:B-H-Li,24.0,AB4C_mP24_13_g_4g_g:B-H-Li +mp-1095543,LiBH4,-4.1223256842,-0.4291225479,0.021087375,-0.1213076222,GGA,Ama2,AB4C_oC24_40_b_2bc_a:B-H-Li,12.0,AB4C_oC24_40_b_2bc_a:B-H-Li +mp-30209,LiBH4,-4.1432648792,-0.4500617429,0.00014818,-0.1422468172,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Li,24.0,AB4C_oP24_62_c_2cd_c:B-H-Li +mp-1192133,LiBH4,-4.1434130592,-0.4502099229,0.0,-0.1423949972,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-Li,24.0,AB4C_oP24_62_c_2cd_c:B-H-Li +mp-644223,LiBH4,-4.0963117308,-0.4031085946,0.0471013283,-0.0952936689,GGA,P6_3mc,AB4C_hP12_186_b_bc_b:B-H-Li,12.0,AB4C_hP12_186_b_bc_b:B-H-Li +mp-2659898,LiBH4,-4.1158501083,-0.4226469721,0.0275629508,-0.1148320464,GGA,P6_3mc,AB4C_hP12_186_b_bc_b:B-H-Li,12.0,AB4C_hP12_186_b_bc_b:B-H-Li +mp-1222386,LiBH4,-4.07669014,-0.3834870038,0.0667229192,-0.0756720781,GGA,F-43m,AB4C_cF24_216_a_e_b:B-H-Li,6.0,AB4C_cF24_216_a_e_b:B-H-Li +mp-1103556,ErWClO4,-8.3496519314,-2.7552032821,0.0331458515,0.0331458515,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Er-O-W,14.0,ABC4D_mC28_12_i_i_2ij_i:Cl-Er-O-W +mp-1200554,KTa3(TeO6)2,-8.3699145693,-2.6848807827,0.0,-0.0171984293,GGA,Pbcm,AB12C3D2_oP72_57_d_cd5e_de_e:K-O-Ta-Te,72.0,AB12C3D2_oP72_57_d_cd5e_de_e:K-O-Ta-Te +mp-568318,KTaTe3,-5.3048983437,-0.8252794923000001,0.0,-0.0188569009,GGA,P2_1/c,ABC3_mP100_14_5e_5e_15e:K-Ta-Te,100.0,"Invalid WP multiplicities - ABC3_mP100_14_15e_17e_58e:K-Ta-Te, expected K15Ta17Te58 to be KTaTe3" +mp-1213254,CsGd(WO4)2,-9.3381337167,-2.6330258198000003,0.0,-0.0215874206,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Gd-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Gd-O-W +mp-1224597,K2Nb2As2O11,-7.4804908547,-2.4125367013,0.0,-0.00108925,GGA,P2_1,A2B2C2D11_mP68_4_4a_4a_4a_22a:As-K-Nb-O,68.0,A2B2C2D11_mP68_4_4a_4a_4a_22a:As-K-Nb-O +mp-560208,K3NbAs2O9,-6.7499899392,-2.2652607997,0.0,-0.0106161043,GGA,Pnma,A2B3CD9_oP60_62_2c_3c_c_5c2d:As-K-Nb-O,60.0,"Invalid WP multiplicities - A2B3CD9_oP60_62_4c_11c_c_19c11d:As-K-Nb-O, expected K11NbAs4O41 to be K3NbAs2O9" +mp-561202,K6NbAs3O,-4.093342932,-0.8490026913000001,0.0,-0.0401302599,GGA,P2_13,A3B6CD_cP44_198_b_3ab_a_a:As-K-Nb-O,44.0,"Invalid WP multiplicities - A3B6CD_cP44_198_b_10a6b_a_a:As-K-Nb-O, expected K28NbAs3O to be K6NbAs3O" +mp-695209,KNb4AsO13,-8.5957021378,-2.7808763084,0.0002327504,-0.0169919505,GGA,P1,ABC4D13_aP76_1_4a_4a_16a_52a:As-K-Nb-O,76.0,ABC4D13_aP76_1_4a_4a_16a_52a:As-K-Nb-O +mp-1223401,KNb4AsO13,-8.5959348882,-2.7811090588000003,0.0,-0.0172247009,GGA,Cmc2_1,ABC4D13_oC76_36_a_a_2b_3a5b:As-K-Nb-O,38.0,"Invalid WP multiplicities - ABC4D13_oC76_36_a_a_2b_4a13b:As-K-Nb-O, expected KNb4AsO30 to be KNb4AsO13" +mp-18115,K2Sn2Hg3S8,-3.7394966057,-0.7899911634,0.0,-0.0181896417,GGA,Aea2,A3B2C8D2_oC60_41_ab_b_4b_b:Hg-K-S-Sn,30.0,A3B2C8D2_oC60_41_ab_b_4b_b:Hg-K-S-Sn +mp-637292,NaCrS2,-6.0042713075,-1.1921531832,0.0054632925,-0.1091615519,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cr-Na-S,4.0,ABC2_hP4_164_a_b_d:Cr-Na-S +mp-5693,NaCrS2,-6.0097346,-1.1976164757,0.0,-0.1146248444,GGA,R-3m,ABC2_hR12_166_a_b_c:Cr-Na-S,4.0,ABC2_hR12_166_a_b_c:Cr-Na-S +mp-1238883,Na(CrS2)2,-6.1756315354,-0.8650001495,0.2193180789,0.2032178324,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-Na-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-Na-S +mp-1238795,Na(CrS2)2,-6.3846097886,-1.0739784027,0.0103398257,-0.0057604208,GGA,P2/m,A2BC4_mP7_10_ae_c_mn:Cr-Na-S,7.0,"Invalid WP multiplicities - A2BC4_mP7_10_ce_a_2mn:Cr-Na-S, expected Na(CrS3)2 to be Na(CrS2)2" +mp-1238847,Na(CrS2)2,-6.3493725943,-1.0387412084,0.04557702,0.0294767735,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Na-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Na-S +mp-1239200,Na(CrS2)2,-6.1741359332,-0.8635045474,0.2208136811,0.2047134345,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Cr-Na-S,56.0,A2BC4_oP56_29_4a_2a_8a:Cr-Na-S +mp-1238825,Na(CrS2)2,-6.3949496143,-1.0843182284,0.0,-0.0161002465,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Na-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Na-S +mp-1238812,Na(CrS2)2,-6.3180032275,-1.0073718417,0.0769463868,0.0608461403,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Na-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Na-S +mp-1238843,Na(CrS2)2,-6.3584784096,-1.0478470238,0.0364712046,0.0203709581,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Na-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Na-S +mp-1238798,Na(CrS2)2,-6.2776789436,-0.9670475577,0.1172706707,0.1011704242,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Na-S,14.0,A2BC4_tI28_141_c_b_h:Cr-Na-S +mp-1238805,Na(CrS2)2,-6.28821897,-0.9775875842,0.1067306443,0.0906303978,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Na-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Na-S +mp-1210219,NaCr(PS3)2,-5.5118299815,-0.8497422837,0.0155970275,-0.0219670759,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Cr-Na-P-S,40.0,ABC2D6_mP40_14_e_e_2e_6e:Cr-Na-P-S +mp-1210128,NaCr(PS3)2,-5.527427009,-0.8653393112000001,0.0,-0.0375641034,GGA,Fdd2,ABC2D6_oF80_43_a_a_b_3b:Cr-Na-P-S,20.0,ABC2D6_oF80_43_a_a_b_3b:Cr-Na-P-S +mp-559281,Na3Cr2(PS4)3,-5.3969497514,-0.9394009142,0.0,-0.0272006815,GGA,P2_1/c,A2B3C3D12_mP80_14_2e_3e_3e_12e:Cr-Na-P-S,80.0,"Invalid WP multiplicities - A2B3C3D12_mP80_14_6e_7e_10e_45e:Cr-Na-P-S, expected Na7Cr6(P2S9)5 to be Na3Cr2(PS4)3" +mp-1209260,RbTbP2O7,-7.7836427334,-3.1410676275,0.0,-0.0127651233,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Tb,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Tb +mp-555727,RbTb(PO3)4,-7.7368429103,-2.924155425,0.0,-0.0026524894,GGA,P2_1/c,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Tb,72.0,"Invalid WP multiplicities - A12B4CD_mP72_14_42e_14e_e_e:O-P-Rb-Tb, expected RbTb(PO3)14 to be RbTb(PO3)4" +mp-558323,SrBi2B2O7,-7.2858494407,-2.5061764212,0.0100344335,0.0100344335,GGA,P6_3/m,A2B2C7D_hP72_176_e2f_i_h3i_h:B-Bi-O-Sr,72.0,"Invalid WP multiplicities - A2B2C7D_hP72_176_3e6f_i_4h28i_h:B-Bi-O-Sr, expected SrBi2(BO10)6 to be SrBi2B2O7" +mp-631552,SrBiB,-3.1526235967,0.9171678547,1.5807060343,1.5807060343,GGA,F-43m,ABC_cF12_216_a_c_b:B-Bi-Sr,3.0,ABC_cF12_216_a_c_b:B-Bi-Sr +mp-559364,SrBi2(B2O5)2,-7.6825207932,-2.6498780927,0.0,-0.0098047031,GGA,P-1,A4B2C10D_aP34_2_4i_2i_10i_i:B-Bi-O-Sr,34.0,"Invalid WP multiplicities - A4B2C10D_aP34_2_5i_2i_18i_i:B-Bi-O-Sr, expected SrBi2B5O18 to be SrBi2(B2O5)2" +mp-1206235,PrSiI,-5.0871266867,-1.193929975,0.0,-0.0753803632,GGA,P-3m1,ABC_hP6_164_d_c_d:I-Pr-Si,6.0,ABC_hP6_164_d_c_d:I-Pr-Si +mp-1209328,PrSI,-5.5570830546,-2.093509064,0.0,-0.0152883046,GGA,Pbca,ABC_oP24_61_c_c_c:I-Pr-S,24.0,ABC_oP24_61_c_c_c:I-Pr-S +mp-558259,Pr3Si2S8I,-6.0401795111,-1.7717281818,0.0,-0.0304103725,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:I-Pr-S-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e2f_14f_f:I-Pr-S-Si, expected Pr6Si2S28I to be Pr3Si2S8I" +mp-1226158,Cs2Zr(WO4)3,-8.5898339272,-2.5579916717,0.0,-0.0705853243,GGA+U,C2,A2B12C3D_mC36_5_c_6c_ac_b:Cs-O-W-Zr,18.0,"Invalid WP multiplicities - A2B12C3D_mC36_5_c_12c_ac_b:Cs-O-W-Zr, expected Cs2Zr(WO8)3 to be Cs2Zr(WO4)3" +mp-558333,Nd4Ga2S5O4,-6.996117146,-2.6229314157,0.000163033,0.000163033,GGA,Pbca,A2B4C4D5_oP120_61_2c_4c_4c_5c:Ga-Nd-O-S,120.0,"Invalid WP multiplicities - A2B4C4D5_oP120_61_6c_23c_25c_33c:Ga-Nd-O-S, expected Nd23Ga6S33O25 to be Nd4Ga2S5O4" +mp-1190195,LiIn(WO4)2,-8.0527629096,-2.2068981807,0.0,-0.0084568128,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:In-Li-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:In-Li-O-W +mp-1223472,KFeCuS2,-5.142161742,-0.7516564298,0.1090843765,0.1090843765,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Cu-Fe-K-S,5.0,ABCD2_tI10_119_a_b_c_f:Cu-Fe-K-S +mp-1190741,Y3AlNiS7,-6.6642562875,-1.8409000443,0.0334172529,0.0334172529,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Ni-S-Y,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Ni-S-Y +mp-1215256,ZrNbN2,-10.295399525,-1.464900645,0.089273955,0.089273955,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Nb-Zr,4.0,A2BC_hR12_166_c_a_b:N-Nb-Zr +mp-1215243,ZrNb4CN4,-10.206541597,-1.0537849988,0.1670080174,0.1670080174,GGA,R3m,AB4C4D_hR30_160_a_4a_4a_a:C-N-Nb-Zr,10.0,AB4C4D_hR30_160_a_4a_4a_a:C-N-Nb-Zr +mp-619775,Y7C2I12N,-5.657140283,-1.5780711964,0.0,-0.0209788997,GGA,P-1,A2B12CD7_aP44_2_2i_12i_i_7i:C-I-N-Y,44.0,"Invalid WP multiplicities - A2B12CD7_aP44_2_3i_24i_i_12i:C-I-N-Y, expected Y12C3I24N to be Y7C2I12N" +mp-1224701,K4U5B2O21,-8.6930106675,-3.1262015326,0.0638066265,0.0638066265,GGA,Pc,A2B4C21D5_mP64_7_2a_4a_21a_5a:B-K-O-U,64.0,"Invalid WP multiplicities - A2B4C21D5_mP64_7_3a_6a_31a_7a:B-K-O-U, expected K6U7B3O31 to be K4U5B2O21" +mp-1201877,KU2(B5O12)2,-8.3263401554,-2.672078919,0.1258797143,0.1258797143,GGA,C2/c,A10BC24D2_mC148_15_5f_e_12f_f:B-K-O-U,74.0,A10BC24D2_mC148_15_5f_e_12f_f:B-K-O-U +mp-1219060,SmTiFe5Co6,-7.6172661877,-0.1084899591,0.021248283,0.021248283,GGA,Imm2,A6B5CD_oI26_44_ab2c_be_a_a:Co-Fe-Sm-Ti,13.0,A6B5CD_oI26_44_ab2c_be_a_a:Co-Fe-Sm-Ti +mp-1225443,ErTiCo11,-7.1186025885,-0.1451636214,0.0119328627,0.0119328627,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Co-Er-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Co-Er-Ti +mp-1225575,ErTiFe8Co3,-7.9194167808,-0.1080064814,0.0296456555,0.0296456555,GGA,Imm2,A3BC8D_oI26_44_ac_a_2bce_a:Co-Er-Fe-Ti,13.0,A3BC8D_oI26_44_ac_a_2bce_a:Co-Er-Fe-Ti +mp-1219020,SmTiCo11,-7.09993231,-0.1148881641,0.0155734663,0.0155734663,GGA,Imm2,A11BC_oI26_44_a2b2ce_a_a:Co-Sm-Ti,13.0,A11BC_oI26_44_a2b2ce_a_a:Co-Sm-Ti +mp-1219207,Sm2TiCo16,-7.0204984658,-0.1223011496,0.0,-0.008054191,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Co-Sm-Ti,19.0,A16B2C_hR57_160_a3bc_2a_a:Co-Sm-Ti +mp-1219192,SmErTi2(Fe8Co3)2,-7.9095466373,-0.0923337485,0.0335561794,0.0335561794,GGA,Cm,A6BC16DE2_mC52_8_6a_a_8a4b_a_2a:Co-Er-Fe-Sm-Ti,26.0,"Invalid WP multiplicities - A6BC16DE2_mC52_8_6a_a_8a8b_a_2a:Co-Er-Fe-Sm-Ti, expected SmErTi2(Fe4Co)6 to be SmErTi2(Fe8Co3)2" +mp-1219391,SmEr(TiFe11)2,-8.1997674527,-0.0683153143,0.0123990753,0.0123990753,GGA,Cm,AB22CD2_mC52_8_a_14a4b_a_2a:Er-Fe-Sm-Ti,26.0,"Invalid WP multiplicities - AB22CD2_mC52_8_a_14a8b_a_2a:Er-Fe-Sm-Ti, expected SmEr(TiFe15)2 to be SmEr(TiFe11)2" +mp-1224616,K5U(PS4)3,-5.1426452146,-1.2035637543,0.0,-0.0077757552,GGA,P2_1/c,A5B3C12D_mP84_14_5e_3e_12e_e:K-P-S-U,84.0,A5B3C12D_mP84_14_5e_3e_12e_e:K-P-S-U +mp-1195380,U3W2O17F2,-8.5822902625,-2.4278254077,0.2730846111,0.2730846111,GGA+U,C2/m,A2B17C3D2_mC96_12_eh_3i7j_ij_j:F-O-U-W,48.0,A2B17C3D2_mC96_12_eg_3i7j_ij_j:F-O-U-W +mp-1191944,S4I2O15,-5.8813608519,-1.4197959549,0.0,-0.0048477533,GGA,P1,A2B15C4_aP21_1_2a_15a_4a:I-O-S,21.0,A2B15C4_aP21_1_2a_15a_4a:I-O-S +mp-729020,SI3O10,-5.0884697503,-0.9439386053,0.0793587945,0.0793587945,GGA,Pna2_1,A3B10C_oP112_33_6a_20a_2a:I-O-S,112.0,A3B10C_oP112_33_6a_20a_2a:I-O-S +mp-1211900,K3SI,-3.041001119,-1.2527985074,0.163133435,0.163133435,GGA,P6_3cm,AB3C_hP30_185_c_cd_ab:I-K-S,30.0,AB3C_hP30_185_c_cd_ab:I-K-S +mp-30984,S(IO3)2,-5.23804125,-1.1532284906,0.0,-0.0548697608,GGA,C2/c,A2B6C_mC36_15_f_3f_e:I-O-S,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_4f_e:I-O-S, expected S(IO4)2 to be S(IO3)2" +mp-729448,K2SIO7,-5.5109978948,-1.6512310684,0.0482283362,0.0482283362,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:I-K-O-S,44.0,AB2C7D_mP44_14_e_2e_7e_e:I-K-O-S +mp-1197503,S5(IO9)2,-5.9531297204,-1.4463545669,0.0,-0.0011806297,GGA,C2/c,A2B18C5_mC100_15_f_9f_e2f:I-O-S,50.0,A2B18C5_mC100_15_f_9f_e2f:I-O-S +mp-29492,S2I2O11,-5.6156722268,-1.2401250097,0.005007807,-0.0381146624,GGA,P2_1/c,A2B11C2_mP60_14_2e_11e_2e:I-O-S,60.0,"Invalid WP multiplicities - A2B11C2_mP60_14_2e_14e_2e:I-O-S, expected SIO7 to be S2I2O11" +mp-1202716,S2I2O11,-5.6206800338,-1.2451328167,0.0,-0.0431224694,GGA,Pna2_1,A2B11C2_oP60_33_2a_11a_2a:I-O-S,60.0,A2B11C2_oP60_33_2a_11a_2a:I-O-S +mp-1195041,YB3H15N,-4.6173551738,-0.3307535725,0.0903023452,0.0903023452,GGA,Cmc2_1,A3B15CD_oC80_36_ab_3a6b_a_a:B-H-N-Y,40.0,A3B15CD_oC80_36_ab_3a6b_a_a:B-H-N-Y +mp-1194737,YB3H27N5,-4.8061776493,-0.3675464197,0.0542319551,0.0542319551,GGA,P6_3,A3B27C5D_hP72_173_c_9c_2bc_b:B-H-N-Y,72.0,A3B27C5D_hP72_173_c_9c_2bc_b:B-H-N-Y +mp-1194951,YB3(H9N)2,-4.7078793339,-0.364266622,0.0570602171,0.0570602171,GGA,Pbca,A3B18C2D_oP192_61_3c_18c_2c_c:B-H-N-Y,192.0,A3B18C2D_oP192_61_3c_18c_2c_c:B-H-N-Y +mp-1194847,YB3H33N7,-4.8894619419000005,-0.416278524,0.0056640456,0.0056640456,GGA,Pca2_1,A3B33C7D_oP176_29_3a_33a_7a_a:B-H-N-Y,176.0,A3B33C7D_oP176_29_3a_33a_7a_a:B-H-N-Y +mp-1196152,YB3(H6N)4,-4.7676392584,-0.3527626583,0.0689028326,0.0689028326,GGA,Pna2_1,A3B24C4D_oP128_33_3a_24a_4a_a:B-H-N-Y,128.0,A3B24C4D_oP128_33_3a_24a_4a_a:B-H-N-Y +mp-1195458,YB3(H6N)4,-4.799961578,-0.3850849779,0.036580513,0.036580513,GGA,Pnma,A3B24C4D_oP128_62_cd_4c10d_2cd_c:B-H-N-Y,128.0,"Invalid WP multiplicities - A3B24C4D_oP128_62_cd_4c19d_2cd_c:B-H-N-Y, expected YB3(H21N2)2 to be YB3(H6N)4" +mp-1195997,YB3(H5N)6,-4.840810075,-0.3831751419,0.0386935401,0.0386935401,GGA,P2_13,A3B30C6D_cP160_198_3a_3a9b_2b_a:B-H-N-Y,160.0,A3B30C6D_cP160_198_3a_3a9b_2b_a:B-H-N-Y +mp-542317,K2U(WO5)2,-8.5852104885,-2.6588534567,0.0,-0.0100380477,GGA+U,Pnma,A2B10CD2_oP60_62_2c_4c3d_c_d:K-O-U-W,60.0,A2B10CD2_oP60_62_2c_4c3d_c_d:K-O-U-W +mp-561009,K2U2WO10,-8.8446626428,-3.0294202923,0.002546961,0.002546961,GGA+U,P2_1/c,A2B10C2D_mP120_14_4e_20e_4e_2e:K-O-U-W,120.0,"Invalid WP multiplicities - A2B10C2D_mP120_14_16e_78e_15e_4e:K-O-U-W, expected K16U15(W2O39)2 to be K2U2WO10" +mp-1216075,Y2US3O2,-8.6863717275,-2.87048682,0.0248933028,0.0248933028,GGA,I4mm,A2B3CD2_tI16_107_b_3a_a_2a:O-S-U-Y,8.0,A2B3CD2_tI16_107_b_3a_a_2a:O-S-U-Y +mp-27698,Y6UO12,-9.7300831874,-3.9695304913,0.0,-0.0350768247,GGA,R-3,A12BC6_hR57_148_2f_a_f:O-U-Y,19.0,A12BC6_hR57_148_2f_a_f:O-U-Y +mp-760098,Y5U2O12,-9.9499507168,-3.9354538683,0.0,-0.0115921438,GGA,P1,A12B2C5_aP57_1_36a_6a_15a:O-U-Y,57.0,A12B2C5_aP57_1_36a_6a_15a:O-U-Y +mp-531484,Y5U2O12,-9.9284762951,-3.9139794466,0.0214744217,0.0098822779,GGA,P1,A12B2C5_aP76_1_48a_8a_20a:O-U-Y,76.0,A12B2C5_aP76_1_48a_8a_20a:O-U-Y +mp-762369,Y9U5O28,-9.9353731867,-3.9076928537,0.0,-0.0182704251,GGA,P-1,A28B5C9_aP42_2_14i_a2i_c4i:O-U-Y,42.0,"Invalid WP multiplicities - A28B5C9_aP42_2_28i_a3i_c7i:O-U-Y, expected Y15U7O56 to be Y9U5O28" +mp-685633,Y10U4O27,-9.8390366868,-3.902672141,0.0,-0.0076448371,GGA,P1,A27B4C10_aP41_1_27a_4a_10a:O-U-Y,41.0,A27B4C10_aP41_1_27a_4a_10a:O-U-Y +mp-1216101,Y4US7,-7.7051903483,-2.195820054,0.0548660517,0.0548660517,GGA,Cm,A7BC4_mC24_8_7a_a_4a:S-U-Y,12.0,A7BC4_mC24_8_7a_a_4a:S-U-Y +mp-1025436,YU2S3O2,-9.109545165,-2.6905428954,0.0174615514,0.0174615514,GGA,I4/mmm,A2B3C2D_tI16_139_d_ae_e_b:O-S-U-Y,8.0,A2B3C2D_tI16_139_d_ae_e_b:O-S-U-Y +mp-1215765,YUS2,-8.4296238775,-1.9219286632,0.012729815,0.012729815,GGA,R-3m,A2BC_hR12_166_c_a_b:S-U-Y,4.0,A2BC_hR12_166_c_a_b:S-U-Y +mp-1207875,Y2U3S5O3,-8.9779959654,-2.6449584481,0.0460545363,0.0460545363,GGA,Pnma,A3B5C3D2_oP52_62_3c_5c_3c_2c:O-S-U-Y,52.0,A3B5C3D2_oP52_62_3c_5c_3c_2c:O-S-U-Y +mp-39027,Y2U3O11,-9.9520970006,-3.6258002456,0.2144355366,0.2144355366,GGA,Immm,A11B3C2_oI32_71_cg2n_be_e:O-U-Y,16.0,"Invalid WP multiplicities - A11B3C2_oI32_71_c2g6n_b2e_e:O-U-Y, expected Y2U5O29 to be Y2U3O11" +mp-1215946,YU2O6,-10.3962179589,-3.8707264699,0.0,-0.0176145011,GGA,Immm,A6B2C_oI18_71_fn_g_a:O-U-Y,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f2n_g_a:O-U-Y, expected YU2O12 to be YU2O6" +mp-27496,YUO4,-10.1614610633,-3.9040217353,0.0,-0.0075623571,GGA,P4/mmm,A4BC_tP6_123_i_a_d:O-U-Y,6.0,A4BC_tP6_123_i_a_d:O-U-Y +mp-753306,YUO4,-10.1587063425,-3.9012670144,0.0027547208,-0.0048076362,GGA,I4_1/amd,A4BC_tI24_141_f_a_b:O-U-Y,12.0,A4BC_tI24_141_f_a_b:O-U-Y +mp-677237,Y3U2O10,-10.0085071547,-3.9118991232,0.0,-0.005307605,GGA,C2/m,A10B2C3_mC30_12_h2j_i_ai:O-U-Y,15.0,"Invalid WP multiplicities - A10B2C3_mC30_12_2h5j_i_a2i:O-U-Y, expected Y5U2O24 to be Y3U2O10" +mp-1216250,Y4US5O3,-8.4968435644,-2.9061043389,0.0155248621,0.0155248621,GGA,Pmn2_1,A3B5CD4_oP52_31_6a_10a_2a_8a:O-S-U-Y,52.0,"Invalid WP multiplicities - A3B5CD4_oP52_31_9a_15a_2a_11a:O-S-U-Y, expected Y11U2(S5O3)3 to be Y4US5O3" +mp-556552,K4VP2S9,-5.0292753911,-1.1805156615,0.0,-0.0213379907,GGA,Pna2_1,A4B2C9D_oP64_33_4a_2a_9a_a:K-P-S-V,64.0,"Invalid WP multiplicities - A4B2C9D_oP64_33_14a_3a_34a_a:K-P-S-V, expected K14VP3S34 to be K4VP2S9" +mp-10518,KVP2S7,-5.4448862882,-0.9016081883,0.002354118,0.002354118,GGA,C2,AB2C7D_mC22_5_b_c_a3c_a:K-P-S-V,11.0,"Invalid WP multiplicities - AB2C7D_mC22_5_b_c_a4c_a:K-P-S-V, expected KVP2S9 to be KVP2S7" +mp-680189,Y21B7(C7I9)2,-6.675245465,-1.0373530155,0.0,-0.0134975812,GGA,P-1,A7B14C18D21_aP120_2_7i_14i_18i_21i:B-C-I-Y,120.0,"Invalid WP multiplicities - A7B14C18D21_aP120_2_14i_26i_35i_39i:B-C-I-Y, expected Y39B14C26I35 to be Y21B7(C7I9)2" +mp-579614,Y16B4C8I19,-6.1735274454,-1.2372638393,0.0,-0.0303382646,GGA,P-1,A4B8C19D16_aP94_2_4i_8i_19i_16i:B-C-I-Y,94.0,"Invalid WP multiplicities - A4B8C19D16_aP94_2_6i_16i_37i_30i:B-C-I-Y, expected Y30B6C16I37 to be Y16B4C8I19" +mp-561015,Y9C4I8O,-6.3460150607,-1.2620822652,0.0979845814,0.0979845814,GGA,Pmmn,A4B8CD9_oP44_59_2e_ab3e_a_b4e:C-I-O-Y,44.0,"Invalid WP multiplicities - A4B8CD9_oP44_59_5e_2ab10e_a_2b10e:C-I-O-Y, expected Y22C10I23O to be Y9C4I8O" +mp-554027,Y7C3I6O,-6.4342596462,-1.3320137002,0.0878441671,0.0878441671,GGA,Pmma,A3B6CD7_oP34_51_aj_efij_e_f2ij:C-I-O-Y,34.0,"Invalid WP multiplicities - A3B6CD7_oP34_51_2a3j_2e2f3i3j_e_2f7i3j:C-I-O-Y, expected Y22C8I16O to be Y7C3I6O" +mp-1207850,Y16C7(I7O)2,-6.298217809,-1.2063023581,0.179827241,0.179827241,GGA,C2/m,A7B14C2D16_mC78_12_a3i_7i_i_8i:C-I-O-Y,39.0,A7B14C2D16_mC78_12_a3i_7i_i_8i:C-I-O-Y +mp-1197513,UBCO5,-7.9422894266,-1.4506755729,1.3999438088,1.3999438088,GGA,Pnma,ABC5D_oP32_62_c_c_3cd_c:B-C-O-U,32.0,ABC5D_oP32_62_c_c_3cd_c:B-C-O-U +mp-1199129,V2I3NO13,-5.9654301547,-0.9532533463,0.3544381857,0.3544381857,GGA+U,Ima2,A3BC13D2_oI76_46_bc_b_a2b5c_c:I-N-O-V,38.0,A3BC13D2_oI76_46_bc_b_a2b5c_c:I-N-O-V +mp-1225720,Dy3VH3O8,-7.7242014733,-2.880471179,0.0333161639,0.0333161639,GGA+U,P2_1/m,A3B3C8D_mP30_11_ef_ef_2e3f_e:Dy-H-O-V,30.0,A3B3C8D_mP30_11_ef_ef_2e3f_e:Dy-H-O-V +mp-24576,VAg(HO2)2,-6.3558484812,-1.5447648552,0.0273144119,0.0273144119,GGA+U,Pnma,AB2C4D_oP32_62_c_d_4c_c:Ag-H-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_6c_c:Ag-H-O-V, expected VAg(HO3)2 to be VAg(HO2)2" +mp-1192654,Y3VH3O8,-8.1257527223,-2.9100855733,0.0,-0.0094515893,GGA+U,P2_1/m,A3B8CD3_mP30_11_ef_2e3f_e_ef:H-O-V-Y,30.0,A3B8CD3_mP30_11_ef_2e3f_e_ef:H-O-V-Y +mp-1203975,YV5(H12O13)2,-6.394306292,-1.717068202,0.02159979,0.02159979,GGA+U,P-1,A24B26C5D_aP224_2_48i_52i_10i_2i:H-O-V-Y,224.0,A24B26C5D_aP224_2_48i_52i_10i_2i:H-O-V-Y +mp-1104949,U(NO5)2,-6.8961413508,-0.9398885067,0.519527359,0.519527359,GGA,Cm,A2B10C_mC26_8_2a_4a3b_a:N-O-U,13.0,A2B10C_mC26_8_2a_4a3b_a:N-O-U +mp-732190,U(NO5)2,-6.8039827331,-0.847729889,0.6116859767,0.6116859767,GGA,Cm,A2B10C_mC26_8_2a_4a3b_a:N-O-U,13.0,A2B10C_mC26_8_2a_4a3b_a:N-O-U +mp-1179579,U(N2O7)2,-6.5286591684,-0.5343943438000001,0.6915913108,0.6915913108,GGA,P2_1/c,A4B14C_mP38_14_2e_7e_a:N-O-U,38.0,A4B14C_mP38_14_2e_7e_a:N-O-U +mp-1205255,UNO8,-7.1857746305,-1.265633168,0.4056138516,0.4056138516,GGA,P-1,AB8C_aP40_2_2i_16i_2i:N-O-U,40.0,AB8C_aP40_2_2i_16i_2i:N-O-U +mp-1196565,U(N3O7)2,-6.8520142421,-0.6346798842,0.5934226068,0.5934226068,GGA,P2_1/c,A6B14C_mP42_14_3e_7e_a:N-O-U,42.0,A6B14C_mP42_14_3e_7e_a:N-O-U +mp-1179344,UN2O7,-7.6375677725,-1.3784456886,0.4790847495,0.4790847495,GGA,Pbcn,A2B7C_oP40_60_d_c3d_a:N-O-U,40.0,A2B7C_oP40_60_d_c3d_a:N-O-U +mp-1202133,UN2O7,-7.5937053385,-1.3345832546,0.5229471835,0.5229471835,GGA,Pbcn,A2B7C_oP40_60_d_c3d_a:N-O-U,40.0,A2B7C_oP40_60_d_c3d_a:N-O-U +mp-1196744,U(NO7)2,-6.3672473353,-0.6485389931000001,0.4674849043,0.4674849043,GGA,Cmc2_1,A2B14C_oC68_36_b_2a6b_a:N-O-U,34.0,A2B14C_oC68_36_b_2a6b_a:N-O-U +mp-1197147,U(NO7)2,-6.4530891344,-0.7343807922000001,0.3816431051,0.3816431051,GGA,Cmc2_1,A2B14C_oC68_36_2a_4a5b_a:N-O-U,34.0,A2B14C_oC68_36_2a_4a5b_a:N-O-U +mp-1204175,U3NO23,-7.0167343687,-1.239528246,0.4500102158,0.4500102158,GGA,P-1,AB23C3_aP54_2_i_23i_3i:N-O-U,54.0,AB23C3_aP54_2_i_23i_3i:N-O-U +mp-1237592,U3NO23,-6.888410347,-1.1112042243,0.5783342375,0.5783342375,GGA,P-1,AB23C3_aP54_2_i_23i_3i:N-O-U,54.0,AB23C3_aP54_2_i_23i_3i:N-O-U +mp-1103907,U(NO4)2,-7.2765956891,-1.13678573,0.5699283898,0.5699283898,GGA,P-1,A2B8C_aP11_2_i_4i_a:N-O-U,11.0,A2B8C_aP11_2_i_4i_a:N-O-U +mp-1193969,UN2O11,-6.82176896,-0.9376278397,0.4175440356,0.4175440356,GGA,P-1,A2B11C_aP28_2_2i_11i_bd:N-O-U,28.0,A2B11C_aP28_2_2i_11i_bd:N-O-U +mp-1204308,UN2O11,-6.8240037364,-0.9398626162,0.4153092592,0.4153092592,GGA,P2_1/c,A2B11C_mP56_14_2e_11e_e:N-O-U,56.0,A2B11C_mP56_14_2e_11e_e:N-O-U +mp-672368,UVN2,-10.7564611581,-1.4943846756,0.0,-0.077143713,GGA,Pnma,A2BC_oP16_62_2c_c_c:N-U-V,16.0,"Invalid WP multiplicities - A2BC_oP16_62_4c_c_c:N-U-V, expected UVN4 to be UVN2" +mp-1204142,UVNO6,-8.2997923728,-1.8117986758,0.7545790957,0.7545790957,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:N-O-U-V,36.0,AB6CD_mP36_14_e_6e_e_e:N-O-U-V +mp-28208,ZrFeCl6,-5.342882195,-1.82926447,0.0102293112,0.0102293112,GGA,P-31c,A6BC_hP16_163_i_a_c:Cl-Fe-Zr,16.0,A6BC_hP16_163_i_a_c:Cl-Fe-Zr +mp-28903,Zr6FeCl14,-6.1554622431,-2.0775699464,0.0,-0.0504026768,GGA,Cmce,A14BC6_oC84_64_def2g_a_fg:Cl-Fe-Zr,42.0,"Invalid WP multiplicities - A14BC6_oC84_64_d3ef7g_a_2f3g:Cl-Fe-Zr, expected Zr16FeCl38 to be Zr6FeCl14" +mp-1192112,Zr6FeCl15,-6.0367822745,-2.060224325,0.033830904,0.033830904,GGA,Im-3m,A15BC6_cI44_229_bh_a_e:Cl-Fe-Zr,22.0,A15BC6_cI44_229_bh_a_e:Cl-Fe-Zr +mp-569543,CsLaZr6FeCl18,-5.8893499193,-2.227820499,0.0,-0.0113653284,GGA,P-31c,A18BCDE6_hP54_163_3i_c_b_d_i:Cl-Cs-Fe-La-Zr,54.0,"Invalid WP multiplicities - A18BCDE6_hP54_163_28i_c_b_d_i:Cl-Cs-Fe-La-Zr, expected CsLaZr6FeCl168 to be CsLaZr6FeCl18" +mp-1209639,RbLaZr6FeCl18,-5.8810478131,-2.2163653669,0.0,-0.0018409784,GGA,P-31c,A18BCDE6_hP54_163_3i_b_c_d_i:Cl-Fe-La-Rb-Zr,54.0,A18BCDE6_hP54_163_3i_b_c_d_i:Cl-Fe-La-Rb-Zr +mp-1220103,PrErMn4Co13,-7.3048708042,-0.020406748,0.0480468815,0.0480468815,GGA,Cm,A13BC4D_mC38_8_3a5b_a_2ab_a:Co-Er-Mn-Pr,19.0,"Invalid WP multiplicities - A13BC4D_mC38_8_3a8b_a_2ab_a:Co-Er-Mn-Pr, expected PrErMn4Co19 to be PrErMn4Co13" +mp-1220026,PrErCo17,-6.9228282005,-0.0707215121,0.0016015642,0.0016015642,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Co-Er-Pr,19.0,A17BC_hR57_160_2a3bc_a_a:Co-Er-Pr +mp-1220144,Pr3ErMn6(FeCo13)2,-7.2594772942,-0.0058237964,0.0495818288,0.0495818288,GGA,Cm,A26BC2D6E3_mC76_8_6a10b_a_2a_2a2b_3a:Co-Er-Fe-Mn-Pr,38.0,"Invalid WP multiplicities - A26BC2D6E3_mC76_8_6a20b_a_2a_2a3b_3a:Co-Er-Fe-Mn-Pr, expected Pr3ErMn8(FeCo23)2 to be Pr3ErMn6(FeCo13)2" +mp-1220169,PrEr3Mn8,-7.4929807292,0.155367981,0.1626155424,0.1626155424,GGA,Cm,A3B8C_mC24_8_3a_4a2b_a:Er-Mn-Pr,12.0,"Invalid WP multiplicities - A3B8C_mC24_8_3a_4a4b_a:Er-Mn-Pr, expected Pr(ErMn4)3 to be PrEr3Mn8" +mp-686476,Al6Bi24Cl23,-3.9556915757,-0.9903795515,0.1136054053,0.1136054053,GGA,P1,A6B24C23_aP106_1_12a_48a_46a:Al-Bi-Cl,106.0,A6B24C23_aP106_1_12a_48a_46a:Al-Bi-Cl +mp-1198361,Al(BiCl)4,-4.0701410108,-1.1255100119,0.0,-0.0256210192,GGA,P6_3,AB4C4_hP108_173_a2bc_8c_a2b7c:Al-Bi-Cl,108.0,AB4C4_hP108_173_a2bc_8c_a2b7c:Al-Bi-Cl +mp-646102,Al3Bi5Cl12,-4.1159307932,-1.4848501402,0.0059667325,0.0059667325,GGA,R-3c,A3B5C12_hR120_167_e_ce_2f:Al-Bi-Cl,40.0,"Invalid WP multiplicities - A3B5C12_hR120_167_e_3c4e_17f:Al-Bi-Cl, expected Al(Bi3Cl17)2 to be Al3Bi5Cl12" +mp-672273,AlBiCl6,-4.0550016913,-1.7203410763,0.0,-0.035285755,GGA,P2_1/c,ABC6_mP32_14_e_e_6e:Al-Bi-Cl,32.0,"Invalid WP multiplicities - ABC6_mP32_14_e_e_21e:Al-Bi-Cl, expected AlBiCl21 to be AlBiCl6" +mp-31268,AlBiBr6,-3.5158638125,-1.402834445,0.0114089053,0.0114089053,GGA,P-1,ABC6_aP16_2_i_i_6i:Al-Bi-Br,16.0,ABC6_aP16_2_i_i_6i:Al-Bi-Br +mp-645282,Al3Bi5Br12,-3.6437935205,-1.1900178655,0.0080750509,0.0080750509,GGA,R-3c,A3B5C12_hR120_167_e_ce_2f:Al-Bi-Br,40.0,"Invalid WP multiplicities - A3B5C12_hR120_167_e_2c2e_17f:Al-Bi-Br, expected Al3(Bi5Br51)2 to be Al3Bi5Br12" +mp-541772,Bi4RuBr2,-4.4848015564,-0.5215993107,0.0,-0.0433133194,GGA,C2/m,A4B2C_mC28_12_4i_2i_g:Bi-Br-Ru,14.0,A4B2C_mC28_12_4i_2i_g:Bi-Br-Ru +mp-680053,Bi24Ru3Br20,-3.9262879305,-0.7123408382,0.0161742762,0.0161742762,GGA,Pna2_1,A24B20C3_oP188_33_24a_20a_3a:Bi-Br-Ru,188.0,"Invalid WP multiplicities - A24B20C3_oP188_33_92a_80a_10a:Bi-Br-Ru, expected Bi46(RuBr8)5 to be Bi24Ru3Br20" +mp-1197319,Al2Bi7Ru(BrCl4)2,-4.210663278,-1.1334968755,0.041577863,0.041577863,GGA,P2_1/c,A2B7C2D8E_mP80_14_2e_7e_2e_8e_e:Al-Bi-Br-Cl-Ru,80.0,A2B7C2D8E_mP80_14_2e_7e_2e_8e_e:Al-Bi-Br-Cl-Ru +mp-1204779,Al2Bi7Ru(BrCl4)2,-4.210344272,-1.1331778695,0.041896869,0.041896869,GGA,P2_1/c,A2B7C2D8E_mP80_14_2e_7e_2e_8e_e:Al-Bi-Br-Cl-Ru,80.0,A2B7C2D8E_mP80_14_2e_7e_2e_8e_e:Al-Bi-Br-Cl-Ru +mp-1047195,YV(WO4)2,-9.2689484933,-2.5156028822,0.1371037545,0.1371037545,GGA+U,P1,A8BC2D_aP12_1_8a_a_2a_a:O-V-W-Y,12.0,A8BC2D_aP12_1_8a_a_2a_a:O-V-W-Y +mp-1042176,YV(WO4)2,-9.3694980646,-2.6161524535,0.0365541832,0.0365541832,GGA+U,P2/c,A8BC2D_mP24_13_4g_e_g_f:O-V-W-Y,24.0,A8BC2D_mP24_13_4g_e_g_f:O-V-W-Y +mp-1228759,Ba4Ge2Pb(Se4Br)2,-4.6398064832,-1.5981623055,0.0146009256,0.0146009256,GGA,Pmn2_1,A4B2C2DE8_oP34_31_2b_2a_2a_a_4a2b:Ba-Br-Ge-Pb-Se,34.0,"Invalid WP multiplicities - A4B2C2DE8_oP34_31_6b_3a_3a_a_6a6b:Ba-Br-Ge-Pb-Se, expected Ba12Ge3Pb(Se6Br)3 to be Ba4Ge2Pb(Se4Br)2" +mp-1219275,Re2Os(Se2Cl)2,-6.81420959,-0.8367494755,0.0,-0.0565001912,GGA,P-1,A2BC2D4_aP36_2_4i_2i_4i_8i:Cl-Os-Re-Se,36.0,A2BC2D4_aP36_2_4i_2i_4i_8i:Cl-Os-Re-Se +mp-1228026,CsRe2OsSe4Cl3,-6.2723389214,-1.1322407338,0.0,-0.037636595,GGA,Cc,A3BCD2E4_mC88_9_6a_2a_2a_4a_8a:Cl-Cs-Os-Re-Se,44.0,"Invalid WP multiplicities - A3BCD2E4_mC88_9_12a_2a_2a_8a_14a:Cl-Cs-Os-Re-Se, expected CsRe4OsSe7Cl6 to be CsRe2OsSe4Cl3" +mp-1192488,Al2Te2Cl7,-3.8117732868,-1.3829078262,0.1976613182,0.1969950653,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Al-Cl-Te,22.0,A2B7C2_aP22_2_2i_7i_2i:Al-Cl-Te +mp-540629,Al2Te2Cl7,-4.009434605,-1.5805691444,0.0,-0.0006662528,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Al-Cl-Te,44.0,A2B7C2_mP44_14_2e_7e_2e:Al-Cl-Te +mp-571179,AlTeCl7,-3.7042074411,-1.501025403,0.0008451664,-0.0162254101,GGA,P-1,AB7C_aP36_2_2i_14i_2i:Al-Cl-Te,36.0,AB7C_aP36_2_4i_28i_4i:Al-Cl-Te +mp-573751,AlTeCl7,-3.7050526075,-1.5018705694,0.0,-0.0170705765,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Al-Cl-Te,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_24e_e:Al-Cl-Te, expected AlTeCl24 to be AlTeCl7" +mp-540628,Al(TeCl2)2,-3.848859127,-1.3593828046,0.0,-0.0190640926,GGA,Pbca,AB4C2_oP56_61_c_4c_2c:Al-Cl-Te,56.0,AB4C2_oP56_61_c_4c_2c:Al-Cl-Te +mp-1214871,Al3Te3Br,-3.8234857296,-0.6492466582,0.1551067947,0.1551067947,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Al-Br-Te,28.0,A3BC3_oP28_62_3c_c_3c:Al-Br-Te +mp-567743,AlSb2(TeCl2)2,-4.083883055,-1.230067862,0.0,-0.0168817429,GGA,P-1,AB4C2D2_aP72_2_4i_16i_8i_8i:Al-Cl-Sb-Te,72.0,"Invalid WP multiplicities - AB4C2D2_aP72_2_7i_31i_13i_15i:Al-Cl-Sb-Te, expected Al7Sb13Te15Cl31 to be AlSb2(TeCl2)2" +mp-1204489,AlSb2Te2BrCl4,-3.9690240443,-1.2452875376,0.0,-0.0085233767,GGA,C2/c,ABC4D2E2_mC80_15_f_2e_4f_2f_2f:Al-Br-Cl-Sb-Te,40.0,ABC4D2E2_mC80_15_f_2e_4f_2f_2f:Al-Br-Cl-Sb-Te +mp-1097490,HfCo2Sb,-4.6871000875,2.3886063775,2.7663591295,2.7663591295,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Hf-Sb,4.0,A2BC_oI8_71_e_a_b:Co-Hf-Sb +mp-10367,HfSbRh,-7.4067218633,-0.2565558167,0.484412909,0.484412909,GGA,F-43m,ABC_cF12_216_c_a_b:Hf-Rh-Sb,3.0,ABC_cF12_216_c_a_b:Hf-Rh-Sb +mp-1206379,CoSbRh2,-6.6905468275,-0.1990631338,0.0969788419,0.0969788419,GGA,I4/mmm,AB2C_tI8_139_a_d_b:Co-Rh-Sb,4.0,AB2C_tI8_139_a_d_b:Co-Rh-Sb +mp-1205892,Zr6CoSb2,-8.0162810822,-0.6104450761,0.0,-0.0515005711,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Co-Sb-Zr,9.0,AB2C6_hP9_189_a_d_fg:Co-Sb-Zr +mp-1093737,Hf2CoRh,-5.7277744825,2.8689764487,3.4987367062,3.4987367062,GGA,Immm,AB2C_oI8_71_a_e_b:Co-Hf-Rh,4.0,AB2C_oI8_71_a_e_b:Co-Hf-Rh +mp-1097082,HfZrRh2,-5.7509500575,2.5574262925,3.3851325662,3.3851325662,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Rh-Zr,4.0,AB2C_oI8_71_a_e_b:Hf-Rh-Zr +mp-1093916,HfZrCo2,-5.04674204,3.1336392725,3.4800462712,3.4800462712,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Hf-Zr,4.0,A2BC_oI8_71_e_a_b:Co-Hf-Zr +mp-1184647,HfZrCo2,-8.5234963175,-0.343115005,0.0032919938,0.0032919938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Hf-Zr,4.0,A2BC_cF16_225_c_a_b:Co-Hf-Zr +mp-1095732,Zr2CoRh,-5.07211523,2.8198915013,3.3642445163,3.3642445163,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Rh-Zr,4.0,ABC2_oI8_71_a_b_e:Co-Rh-Zr +mp-1224215,HfZr(SbRh)2,-7.1157941317,-0.2005428183,0.6983412362,0.6983412362,GGA,R3m,AB2C2D_hR18_160_a_2a_2a_a:Hf-Rh-Sb-Zr,6.0,AB2C2D_hR18_160_a_2a_2a_a:Hf-Rh-Sb-Zr +mp-22377,ZrCoSb,-6.5247302567,0.0702762983,0.6092560842,0.6092560842,GGA,F-43m,ABC_cF12_216_a_c_b:Co-Sb-Zr,3.0,ABC_cF12_216_a_c_b:Co-Sb-Zr +mp-1224254,HfZr(CoSb)2,-6.7120860267,0.1178352617,0.6417362817000001,0.6417362817000001,GGA,R3m,A2BC2D_hR18_160_2a_a_2a_a:Co-Hf-Sb-Zr,6.0,A2BC2D_hR18_160_2a_a_2a_a:Co-Hf-Sb-Zr +mp-1206239,Hf6CoSb2,-8.8753871567,-0.5298922172,0.0,-0.0896975325,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Hf-Sb,9.0,AB6C2_hP9_189_a_fg_d:Co-Hf-Sb +mp-1207404,Zr5CoSb3,-7.64710579,-0.7322363828,0.0,-0.0473180457,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Co-Sb-Zr,18.0,AB3C5_hP18_193_b_g_dg:Co-Sb-Zr +mp-1100415,ZrSbRh,-7.7371359633,-1.0567993833,0.0,-0.3034282985,GGA,F-43m,ABC_cF12_216_c_a_b:Rh-Sb-Zr,3.0,ABC_cF12_216_c_a_b:Rh-Sb-Zr +mp-1206984,ZrSbRh,-6.89068553,-0.21034895,0.8464504333,0.5430221348000001,GGA,F-43m,ABC_cF12_216_a_b_c:Rh-Sb-Zr,3.0,ABC_cF12_216_a_b_c:Rh-Sb-Zr +mp-1224248,HfZrCoSb2Rh,-6.8543687717,0.0182175292,0.7790049752,0.7790049752,GGA,R3m,ABCD2E_hR18_160_a_a_a_2a_a:Co-Hf-Rh-Sb-Zr,6.0,ABCD2E_hR18_160_a_a_a_2a_a:Co-Hf-Rh-Sb-Zr +mp-27449,GaTeCl,-3.7382805275,-1.0649676689,0.0,-0.0409278234,GGA,Pnnm,ABC_oP12_58_g_g_g:Cl-Ga-Te,12.0,ABC_oP12_58_g_g_g:Cl-Ga-Te +mp-1212726,Ga3Te3Cl,-3.7083435879,-0.7993803868,0.0,-0.0143428875,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Cl-Ga-Te,28.0,AB3C3_oP28_62_c_3c_3c:Cl-Ga-Te +mp-542662,Ga2Te2Cl7,-3.589837082,-1.2914224955,0.0,-0.0261498096,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:Cl-Ga-Te,44.0,A7B2C2_mP44_14_7e_2e_2e:Cl-Ga-Te +mp-1197560,Ga8Sb7Te8Cl29,-3.779226534,-1.2430383196,0.0016866375,0.0016866375,GGA,P2_1/c,A29B8C7D8_mP208_14_29e_8e_7e_8e:Cl-Ga-Sb-Te,208.0,A29B8C7D8_mP208_14_29e_8e_7e_8e:Cl-Ga-Sb-Te +mp-1194704,GaSb2(TeCl2)2,-3.8137205679,-1.0396253536,0.0060920807,0.0060920807,GGA,P-1,A4BC2D2_aP72_2_16i_4i_8i_8i:Cl-Ga-Sb-Te,72.0,A4BC2D2_aP72_2_16i_4i_8i_8i:Cl-Ga-Sb-Te +mp-1195835,Ga2SbTe4Cl7,-3.7082248939,-1.1583553598,0.0,-0.0599961623,GGA,P2_1/c,A7B2CD4_mP56_14_7e_2e_e_4e:Cl-Ga-Sb-Te,56.0,A7B2CD4_mP56_14_7e_2e_e_4e:Cl-Ga-Sb-Te +mp-1203106,Ga7Sb7(Te4Cl13)2,-3.7867140128,-1.2177956556,0.0,-0.0029409333,GGA,P-1,A26B7C7D8_aP96_2_26i_7i_7i_8i:Cl-Ga-Sb-Te,96.0,A26B7C7D8_aP96_2_26i_7i_7i_8i:Cl-Ga-Sb-Te +mp-1225707,CuSbTe2,-3.57781045,0.0508944742,0.3596391381,0.3596391381,GGA,R3m,ABC2_hR12_160_a_a_2a:Cu-Sb-Te,4.0,ABC2_hR12_160_a_a_2a:Cu-Sb-Te +mp-1196993,Ga6CuSb7(TeCl3)8,-3.7910359778,-1.1675116632,0.0028658782,0.0028658782,GGA,P-1,A24BC6D7E8_aP46_2_12i_a_3i_e3i_4i:Cl-Cu-Ga-Sb-Te,46.0,A24BC6D7E8_aP46_2_12i_a_3i_e3i_4i:Cl-Cu-Ga-Sb-Te +mp-1205081,Ba3GaSe4Cl,-4.7654206914,-2.0301758677,0.0096161453,0.0096161453,GGA,Pnma,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Cl-Ga-Se,36.0,A3BCD4_oP36_62_cd_c_c_2cd:Ba-Cl-Ga-Se +mp-1219789,Rb2BaCl4,-4.1399110136,-2.5293124814,0.0255740607,0.0255740607,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ba-Cl-Rb,14.0,AB4C2_tI28_122_a_e_d:Ba-Cl-Rb +mp-27829,Rb2SeCl6,-3.37283765,-1.5341488075,0.0,-0.0727007153,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Se,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Se +mp-1219635,RbBa3Ga5(Se5Cl)2,-4.4306126167,-1.5480351356000002,0.0136657457,0.0136657457,GGA,P1,A3B2C5DE10_aP21_1_3a_2a_5a_a_10a:Ba-Cl-Ga-Rb-Se,21.0,A3B2C5DE10_aP21_1_3a_2a_5a_a_10a:Ba-Cl-Ga-Rb-Se +mp-628665,AlBiTeCl4,-4.1329700579,-1.5438961302,0.0,-0.0096478643,GGA,I-4,ABC4D_tI56_82_g_g_4g_g:Al-Bi-Cl-Te,28.0,"Invalid WP multiplicities - ABC4D_tI56_82_g_g_13g_g:Al-Bi-Cl-Te, expected AlBiTeCl13 to be AlBiTeCl4" +mp-1200931,AlBi2Te2BrCl4,-3.9890981065,-1.3230640218,0.017619073,0.017619073,GGA,C2/c,AB2CD4E2_mC80_15_f_2f_2e_4f_2f:Al-Bi-Br-Cl-Te,40.0,AB2CD4E2_mC80_15_f_2f_2e_4f_2f:Al-Bi-Br-Cl-Te +mp-1223856,InGa(AgTe2)2,-3.5002498,-0.4979853834,0.0012594188,0.0012594188,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-Te,8.0,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-Te +mp-1224050,InGa(CuTe2)2,-3.8010168262,-0.482089743,0.0062124969,0.0062124969,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-In-Te,8.0,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-In-Te +mp-1224861,Ga2CuAgTe4,-3.6870259462,-0.4918786598,0.0063650337,0.0063650337,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-Te,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-Te +mp-1226859,In4Cu3AgTe8,-3.6843595344,-0.4791496544,0.0060713184,0.0060713184,GGA,P1,AB3C4D8_aP16_1_a_3a_4a_8a:Ag-Cu-In-Te,16.0,AB3C4D8_aP16_1_a_3a_4a_8a:Ag-Cu-In-Te +mp-1224246,In2CuAgTe4,-3.6100936225,-0.4840494092,0.0052539394,0.0052539394,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-Te,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-Te +mp-1224343,In4CuAg3Te8,-3.5356918950000003,-0.4888133483,0.0045723759,0.0045723759,GGA,P-4,A3BC4D8_tP16_81_ag_d_bcg_2h:Ag-Cu-In-Te,16.0,"Invalid WP multiplicities - A3BC4D8_tP16_81_ag_d_bcg_7h:Ag-Cu-In-Te, expected In4CuAg3Te28 to be In4CuAg3Te8" +mp-1224000,InGaCuAgTe4,-3.6517216612,-0.4911259114,0.00534108,0.00534108,GGA,I-4,ABCDE4_tI16_82_a_c_b_d_g:Ag-Cu-Ga-In-Te,8.0,ABCDE4_tI16_82_a_c_b_d_g:Ag-Cu-Ga-In-Te +mp-1225999,CsBa3Ga5(Se5Cl)2,-4.4277700519,-1.5492464614,0.0134141924,0.0134141924,GGA,P1,A3B2CD5E10_aP21_1_3a_2a_a_5a_10a:Ba-Cl-Cs-Ga-Se,21.0,A3B2CD5E10_aP21_1_3a_2a_a_5a_10a:Ba-Cl-Cs-Ga-Se +mp-1229192,Cs2BaCl4,-4.1066366407,-2.5203614516,0.040283725,0.040283725,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ba-Cl-Cs,14.0,AB4C2_tI28_122_a_e_d:Ba-Cl-Cs +mp-1229083,AgBiTeSe,-3.713975865,-0.3859102389,0.0882777487,0.0882777487,GGA,P4/mmm,ABCD_tP4_123_a_d_b_c:Ag-Bi-Se-Te,4.0,ABCD_tP4_123_a_d_b_c:Ag-Bi-Se-Te +mp-1227440,Bi2Sb2(TeSe)3,-4.127347196,-0.5416839107,0.003714714,0.003714714,GGA,R3m,A2B2C3D3_hR30_160_2a_2a_3a_3a:Bi-Sb-Se-Te,10.0,A2B2C3D3_hR30_160_2a_2a_3a_3a:Bi-Sb-Se-Te +mp-1229120,Ag2BiSbSe4,-3.8737041488,-0.4214231128,0.0465192441,0.0465192441,GGA,I-4m2,A2BCD4_tI16_119_ac_b_d_ef:Ag-Bi-Sb-Se,8.0,"Invalid WP multiplicities - A2BCD4_tI16_119_ac_b_d_2e2f:Ag-Bi-Sb-Se, expected Ag2BiSbSe8 to be Ag2BiSbSe4" +mp-1227508,BiSbSe3,-4.290410984,-0.5989660234,0.0150285885,0.0150285885,GGA,Pnma,ABC3_oP20_62_c_c_3c:Bi-Sb-Se,20.0,ABC3_oP20_62_c_c_3c:Bi-Sb-Se +mp-1229007,AgSbTeSe,-3.7014390625,-0.3012454089,0.0860719687,0.0860719687,GGA,P4/mmm,ABCD_tP4_123_a_d_b_c:Ag-Sb-Se-Te,4.0,ABCD_tP4_123_a_d_b_c:Ag-Sb-Se-Te +mp-1229134,Ag2BiSb(TeSe)2,-3.7002086275,-0.3360789877,0.0970065738,0.0970065738,GGA,Imm2,A2BCD2E2_oI16_44_ab_a_b_ab_ab:Ag-Bi-Sb-Se-Te,8.0,A2BCD2E2_oI16_44_ab_a_b_ab_ab:Ag-Bi-Sb-Se-Te +mp-1229125,Ag2BiSbTe4,-3.5626516612,-0.2866734175,0.0681134225,0.0681134225,GGA,I-4m2,A2BCD4_tI16_119_ac_b_d_ef:Ag-Bi-Sb-Te,8.0,"Invalid WP multiplicities - A2BCD4_tI16_119_ac_b_d_2e2f:Ag-Bi-Sb-Te, expected Ag2BiSbTe8 to be Ag2BiSbTe4" +mp-1222062,MnCdCu4(GeSe4)2,-4.5273409725,-0.5463985185,0.0,-0.0023106344,GGA,Pm,AB4C2DE8_mP16_6_a_2c_ab_b_2a2b2c:Cd-Cu-Ge-Mn-Se,16.0,AB4C2DE8_mP16_6_a_2c_ab_b_2a2b2c:Cd-Cu-Ge-Mn-Se +mp-1226932,CdCu2GeSe4,-4.0272763081,-0.5612791999,0.0142162094,0.0134416756,GGA,Pc,AB2CD4_mP16_7_a_2a_a_4a:Cd-Cu-Ge-Se,16.0,"Invalid WP multiplicities - AB2CD4_mP16_7_a_2a_a_5a:Cd-Cu-Ge-Se, expected CdCu2GeSe5 to be CdCu2GeSe4" +mp-10967,CdCu2GeSe4,-4.0414925175,-0.5754954093,0.0,-0.0007745338,GGA,I-42m,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Ge-Se,8.0,AB2CD4_tI16_121_a_d_b_i:Cd-Cu-Ge-Se +mp-9191,Na3SbTe3,-3.3198487564,-0.8160637850000001,0.0163936707,0.0163936707,GGA,P2_13,A3BC3_cP28_198_3a_a_b:Na-Sb-Te,28.0,"Invalid WP multiplicities - A3BC3_cP28_198_5a_a_b:Na-Sb-Te, expected Na5SbTe3 to be Na3SbTe3" +mp-1220876,NaSbTe2,-3.514280215,-0.579745635,0.07484925,0.0608571,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Na-Sb-Te,4.0,ABC2_tP4_123_a_d_bc:Na-Sb-Te +mp-1220883,NaSbTe2,-3.589129465,-0.6545948850000001,0.0,-0.01399215,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Sb-Te,4.0,ABC2_hR12_166_a_b_c:Na-Sb-Te +mp-1195918,NaGa6Sb7(TeCl3)8,-3.7934451508,-1.2302834748,0.0,-0.0016895618,GGA,P-1,A24B6CD7E8_aP92_2_24i_6i_i_7i_8i:Cl-Ga-Na-Sb-Te,92.0,A24B6CD7E8_aP92_2_24i_6i_i_7i_8i:Cl-Ga-Na-Sb-Te +mp-1228871,CdFe4Cu10(SnSe4)5,-4.6500953332,-0.50606708,0.0422143014,0.0422143014,GGA,C2,AB10C4D20E5_mC80_5_a_5c_2c_10c_b2c:Cd-Cu-Fe-Se-Sn,40.0,"Invalid WP multiplicities - AB10C4D20E5_mC80_5_a_10c_3c_20c_b4c:Cd-Cu-Fe-Se-Sn, expected CdFe6Cu20Sn9Se40 to be CdFe4Cu10(SnSe4)5" +mp-1228572,CdFe4Cu10(SnSe4)5,-4.652865554,-0.5088373008,0.0394440806,0.0394440806,GGA,I-4,AB10C4D20E5_tI80_82_a_cd2g_g_5g_bg:Cd-Cu-Fe-Se-Sn,40.0,"Invalid WP multiplicities - AB10C4D20E5_tI80_82_a_cd3g_g_20g_b2g:Cd-Cu-Fe-Se-Sn, expected CdFe4Cu14Sn9Se80 to be CdFe4Cu10(SnSe4)5" +mp-1226917,Cd3FeSe4,-3.81581178,-0.6630197299,0.105669505,0.105669505,GGA,P3m1,A3BC4_hP8_156_a2b_a_2a2b:Cd-Fe-Se,8.0,A3BC4_hP8_156_a2b_a_2a2b:Cd-Fe-Se +mp-1229296,Cd2Fe3Cu10(SnSe4)5,-4.4842773432000005,-0.5289273763,0.0348138928,0.0348138928,GGA,Fmm2,A2B10C3D20E5_oF160_42_c_b2e_ac_5cd2e_a2c:Cd-Cu-Fe-Se-Sn,40.0,"Invalid WP multiplicities - A2B10C3D20E5_oF160_42_c_2b4e_a2c_10c2d6e_a4c:Cd-Cu-Fe-Se-Sn, expected Cd2Fe5Cu20(Sn3Se16)3 to be Cd2Fe3Cu10(SnSe4)5" +mp-1229234,Cd4FeCu10(SnSe4)5,-4.1557306285,-0.577737234,0.0169238105,0.0169238105,GGA,C2,A4B10CD20E5_mC80_5_2c_5c_a_10c_b2c:Cd-Cu-Fe-Se-Sn,40.0,"Invalid WP multiplicities - A4B10CD20E5_mC80_5_3c_9c_a_20c_b4c:Cd-Cu-Fe-Se-Sn, expected Cd6FeCu18Sn9Se40 to be Cd4FeCu10(SnSe4)5" +mp-1226945,CdFeCu4(SnSe4)2,-4.4001783362,-0.5391675124,0.0323037006,0.0323037006,GGA,P-42m,AB4CD8E2_tP16_111_a_m_b_2n_cd:Cd-Cu-Fe-Se-Sn,16.0,"Invalid WP multiplicities - AB4CD8E2_tP16_111_a_m_b_7n_cd:Cd-Cu-Fe-Se-Sn, expected CdFeCu4(SnSe14)2 to be CdFeCu4(SnSe4)2" +mp-1227787,Cd3Fe2Cu10(SnSe4)5,-4.2562024365,-0.4895307558,0.089670401,0.089670401,GGA,Fmm2,A3B10C2D20E5_oF160_42_ac_b2e_c_5cd2e_a2c:Cd-Cu-Fe-Se-Sn,40.0,"Invalid WP multiplicities - A3B10C2D20E5_oF160_42_a2c_2b8e_c_9c2d6e_a4c:Cd-Cu-Fe-Se-Sn, expected Cd5Fe2Cu36Sn9Se46 to be Cd3Fe2Cu10(SnSe4)5" +mp-1220960,NaAl6Sb7(TeCl3)8,-4.1000747976,-1.4433287989,0.0004330134,-0.012930139,GGA,P1,A6B24CD7E8_aP46_1_6a_24a_a_7a_8a:Al-Cl-Na-Sb-Te,46.0,A6B24CD7E8_aP46_1_6a_24a_a_7a_8a:Al-Cl-Na-Sb-Te +mp-1200510,NaAl6Sb7(TeCl3)8,-4.100507811,-1.4437618123,0.0,-0.0133631524,GGA,P-1,A6B24CD7E8_aP92_2_6i_24i_i_7i_8i:Al-Cl-Na-Sb-Te,92.0,A6B24CD7E8_aP92_2_6i_24i_i_7i_8i:Al-Cl-Na-Sb-Te +mp-571623,Al2BiSe4,-4.6347167782,-1.0182472496,0.0,-0.0501257976,GGA,P4/nnc,A2BC4_tP28_126_cd_e_k:Al-Bi-Se,28.0,"Invalid WP multiplicities - A2BC4_tP28_126_3c3d_e_k:Al-Bi-Se, expected Al6BiSe4 to be Al2BiSe4" +mp-1190020,AlBi2Se2BrCl4,-4.1227468415,-1.38619164,0.0073502443,0.0073502443,GGA,P-1,AB2CD4E2_aP20_2_i_2i_ac_4i_2i:Al-Bi-Br-Cl-Se,20.0,AB2CD4E2_aP20_2_i_2i_ac_4i_2i:Al-Bi-Br-Cl-Se +mp-1264321,Al4(BiSe4)3,-4.3200507928,-0.7171714011,0.1659643855,0.1659643855,GGA,Ccce,A4B3C12_oC152_68_4h_3g_6i:Al-Bi-Se,76.0,"Invalid WP multiplicities - A4B3C12_oC152_68_15h_10g_46i:Al-Bi-Se, expected Al15(Bi5Se46)2 to be Al4(BiSe4)3" +mp-1336703,Al5(BiSe4)3,-4.4262032559,-0.8161890423,0.144357481,0.144357481,GGA,P-42c,A5B3C12_tP80_112_af2k2l_3m_6n:Al-Bi-Se,80.0,"Invalid WP multiplicities - A5B3C12_tP80_112_2a2f4k4l_12m_46n:Al-Bi-Se, expected Al5(Bi3Se23)2 to be Al5(BiSe4)3" +mp-637206,AlBiSeCl4,-4.2284969411,-1.5890507871,0.0,-0.0206968863,GGA,I-4,ABC4D_tI56_82_g_g_4g_g:Al-Bi-Cl-Se,28.0,"Invalid WP multiplicities - ABC4D_tI56_82_g_g_14g_g:Al-Bi-Cl-Se, expected AlBiSeCl14 to be AlBiSeCl4" +mp-1268005,AlBiSe4,-4.1765708437,-0.5816190320000001,0.1945617202,0.1945617202,GGA,P-42c,ABC4_tP24_112_af_m_2n:Al-Bi-Se,24.0,"Invalid WP multiplicities - ABC4_tP24_112_2af_m_11n:Al-Bi-Se, expected Al3(BiSe22)2 to be AlBiSe4" +mp-1223961,InAgTeSe,-3.620905255,-0.5650409789,0.0115459225,0.0115459225,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Ag-In-Se-Te,8.0,ABCD_oI16_24_a_a_b_c:Ag-In-Se-Te +mp-1223911,InGa(AgSe2)2,-3.8508948063,-0.6723275975,0.0008402594,0.0008402594,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-Se,8.0,A2BCD4_tI16_82_ac_b_d_g:Ag-Ga-In-Se +mp-1223912,InGaAg2(TeSe)2,-3.6623769725,-0.5719611599000001,0.0220878956,0.0220878956,GGA,C2,A2BCD2E2_mC16_5_ab_a_b_c_c:Ag-Ga-In-Se-Te,8.0,A2BCD2E2_mC16_5_ab_a_b_c_c:Ag-Ga-In-Se-Te +mp-1224849,Ga2Ag2TeSe3,-3.8027643488,-0.6337213015000001,0.0095065828,0.0095065828,GGA,C2,A2B2C3D_mC16_5_c_c_ac_b:Ag-Ga-Se-Te,8.0,A2B2C3D_mC16_5_c_c_ac_b:Ag-Ga-Se-Te +mp-1224265,InGa2(AgSe2)3,-3.8657566283,-0.6756722408,0.0033163342,0.0033163342,GGA,I-4,A3B2CD6_tI48_82_acef_bde_f_3g:Ag-Ga-In-Se,24.0,"Invalid WP multiplicities - A3B2CD6_tI48_82_ac2ef_bd2e_f_11g:Ag-Ga-In-Se, expected InGa3(Ag2Se11)2 to be InGa2(AgSe2)3" +mp-1224853,GaAgTeSe,-3.7064678463,-0.5815004970000001,0.0143252606,0.0143252606,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Ag-Ga-Se-Te,8.0,ABCD_oI16_24_a_a_b_c:Ag-Ga-Se-Te +mp-1223225,La2Al3Sn,-4.7352792617,-0.5488936692,0.0096375299,0.0096375299,GGA,Pmm2,A3B2C_oP6_25_a2b_cd_a:Al-La-Sn,6.0,A3B2C_oP6_25_a2b_cd_a:Al-La-Sn +mp-1097296,AlSnRu2,-3.8334454925,2.7425426988,3.1543582111,3.1543582111,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ru-Sn,4.0,AB2C_oI8_71_a_e_b:Al-Ru-Sn +mp-1211354,La6Al3Ni4SnRu,-5.6704423227,-0.5199562403,0.0035154812,0.0035154812,GGA,P-6m2,A3B6C4DE_hP15_187_k_jk_aj_c_f:Al-La-Ni-Ru-Sn,15.0,A3B6C4DE_hP15_187_k_jk_aj_c_f:Al-La-Ni-Ru-Sn +mp-1228460,Al4Ni15Sn,-5.6592598315,-0.3745635627,0.0097536313,0.0097536313,GGA,P4/mmm,A4B15C_tP20_123_2g_ce2h2i_a:Al-Ni-Sn,20.0,"Invalid WP multiplicities - A4B15C_tP20_123_3g_c2e3h7i_a:Al-Ni-Sn, expected Al6Ni39Sn to be Al4Ni15Sn" +mp-1224837,Ga2CuAgSe4,-4.0632630675,-0.6918129889,0.0104332744,0.0104332744,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-Se,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-Se +mp-1224952,Ga2CuAg(TeSe)2,-3.8573180775,-0.574019395,0.033422615,0.033422615,GGA,C2,ABC2D2E2_mC16_5_a_b_ab_c_c:Ag-Cu-Ga-Se-Te,8.0,ABC2D2E2_mC16_5_a_b_ab_c_c:Ag-Cu-Ga-Se-Te +mp-1224994,GaCuTeSe,-4.0253836462,-0.5837536304000001,0.0209105687,0.0209105687,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Cu-Ga-Se-Te,8.0,ABCD_oI16_24_a_a_b_c:Cu-Ga-Se-Te +mp-1224939,Ga3Cu3(Te2Se)2,-3.9648485387,-0.5526023216,0.0156624388,0.0156624388,GGA,C2,A3B3C2D4_mC48_5_3c_3c_abc_4c:Cu-Ga-Se-Te,24.0,"Invalid WP multiplicities - A3B3C2D4_mC48_5_6c_6c_abc_7c:Cu-Ga-Se-Te, expected Ga6Cu6Te7Se2 to be Ga3Cu3(Te2Se)2" +mp-1225068,Ga3Cu3(Te2Se)2,-3.9612321971,-0.5489859799,0.0192787804,0.0192787804,GGA,Cc,A3B3C2D4_mC48_9_3a_3a_2a_4a:Cu-Ga-Se-Te,24.0,A3B3C2D4_mC48_9_3a_3a_2a_4a:Cu-Ga-Se-Te +mp-1223913,In2CuAgSe4,-3.960199805,-0.6578527995,0.0043065119,0.0043065119,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-Se,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-Se +mp-1224187,InCuTeSe,-3.93037607,-0.5578491273,0.0170266313,0.0170266313,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Cu-In-Se-Te,8.0,ABCD_oI16_24_a_a_b_c:Cu-In-Se-Te +mp-1224053,In2CuAg(TeSe)2,-3.77236702,-0.5581714106,0.0248690994,0.0248690994,GGA,C2,ABC2D2E2_mC16_5_a_b_ab_c_c:Ag-Cu-In-Se-Te,8.0,ABC2D2E2_mC16_5_a_b_ab_c_c:Ag-Cu-In-Se-Te +mp-1224147,InGa(CuSe2)2,-4.18210392,-0.6868740446,0.0043636731,0.0043636731,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-In-Se,8.0,A2BCD4_tI16_82_ac_b_d_g:Cu-Ga-In-Se +mp-1223732,InGaCuAgSe4,-4.0162693538,-0.6793708117,0.0054132975,0.0054132975,GGA,I-4,ABCDE4_tI16_82_a_c_b_d_g:Ag-Cu-Ga-In-Se,8.0,ABCDE4_tI16_82_a_c_b_d_g:Ag-Cu-Ga-In-Se +mp-1224609,In2Ga(CuSe2)3,-4.1629027983,-0.6791901018000001,0.0045060167,0.0045060167,GGA,C2,A3BC2D6_mC48_5_ab2c_c_abc_6c:Cu-Ga-In-Se,24.0,"Invalid WP multiplicities - A3BC2D6_mC48_5_ab3c_c_ab2c_11c:Cu-Ga-In-Se, expected In3GaCu4Se11 to be In2Ga(CuSe2)3" +mp-1216996,TiCo2Sn,-6.7668965475,-0.2364716821,0.147477875,0.1186941131,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Co-Sn-Ti,4.0,A2BC_tP4_123_h_a_b:Co-Sn-Ti +mp-21467,TiCo2Sn,-6.9143744225,-0.3839495571,0.0,-0.0287837619,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Sn-Ti +mp-999046,Ti2InCo,-6.473310845,-0.0605644554,0.211224425,0.211224425,GGA,F-43m,ABC2_cF16_216_a_c_bd:Co-In-Ti,4.0,ABC2_cF16_216_a_c_bd:Co-In-Ti +mp-1018043,Ti2InCo,-6.4926531825,-0.0799067929,0.1918820875,0.1918820875,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-In-Ti,4.0,ABC2_cF16_225_a_b_c:Co-In-Ti +mp-1217222,Ti2CoNi,-7.4666024925,-0.2967428654,0.10144468,0.10144468,GGA,Imm2,ABC2_oI48_44_2cd_c2d_2a2b2e:Co-Ni-Ti,24.0,ABC2_oI48_44_2cd_c2d_2a2b2e:Co-Ni-Ti +mp-1217078,Ti2CoNi,-7.5371304425,-0.3672708154,0.03091673,0.03091673,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Co-Ni-Ti,4.0,ABC2_tP4_123_a_b_h:Co-Ni-Ti +mp-1208283,Ti5CoSn3,-6.8869793533,-0.3742578596,0.0,-0.0017726094,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Co-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Co-Sn-Ti +mp-999076,Ti2InNi,-6.17791631,-0.0972151992,0.2068041012,0.2068041012,GGA,F-43m,ABC2_cF16_216_a_c_bd:In-Ni-Ti,4.0,ABC2_cF16_216_a_c_bd:In-Ni-Ti +mp-1018013,Ti2InNi,-6.1553236925,-0.0746225817,0.2293967187,0.2293967187,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Ni-Ti,4.0,ABC2_cF16_225_a_b_c:In-Ni-Ti +mp-865548,TiInCo2,-6.455132465,-0.2391796308,0.0,-0.0081981375,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-In-Ti,4.0,A2BC_cF16_225_c_a_b:Co-In-Ti +mp-1223749,InNi2Sn,-4.7916711258,-0.2112888896,0.0069619089,0.0069619089,GGA,Pmm2,AB2C_oP12_25_b2d_ac2e_abc:In-Ni-Sn,12.0,"Invalid WP multiplicities - AB2C_oP12_25_b2d_ac4e_abc:In-Ni-Sn, expected In3Ni10Sn3 to be InNi2Sn" +mp-1217247,Ti4CoNi,-7.7033693733,-0.2916322831,0.0,-0.0105160925,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Ni-Ti,24.0,ABC4_cF96_216_e_e_efg:Co-Ni-Ti +mp-1217064,TiCoNi2,-7.0310635512,-0.3900427583,0.0190549883,0.0190549883,GGA,Amm2,AB2C_oC32_38_abd_cef_abc:Co-Ni-Ti,16.0,"Invalid WP multiplicities - AB2C_oC32_38_abd_2ce3f_abc:Co-Ni-Ti, expected Ti2Co2Ni9 to be TiCoNi2" +mp-1217234,Ti8Co3NiSn4,-6.8189316931,-0.174724592,0.2351921606,0.2351921606,GGA,R-3m,A3BC4D8_hR48_166_ac_b_2c_4c:Co-Ni-Sn-Ti,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_a2c_b_2c_8c:Co-Ni-Sn-Ti, expected Ti16Co5NiSn4 to be Ti8Co3NiSn4" +mp-1217465,Ti8In4CoNi3,-6.2427865356,-0.0790741051,0.2168875903,0.2168875903,GGA,R-3m,AB4C3D8_hR48_166_a_2c_bc_4c:Co-In-Ni-Ti,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_2c_b2c_8c:Co-In-Ni-Ti, expected Ti16In4CoNi5 to be Ti8In4CoNi3" +mp-20339,Ti2InNi2,-6.427632727,-0.4070445023,0.0,-0.0775323612,GGA,P4_2/mnm,AB2C2_tP20_136_d_j_fg:In-Ni-Ti,20.0,AB2C2_tP20_136_d_j_fg:In-Ni-Ti +mp-1217480,Ti8InCo3NiSn3,-6.7277998156,-0.1622107223,0.2166340939,0.2166340939,GGA,R3m,A3BCD3E8_hR48_160_3a_a_a_3a_8a:Co-In-Ni-Sn-Ti,16.0,A3BCD3E8_hR48_160_3a_a_a_3a_8a:Co-In-Ni-Sn-Ti +mp-1217160,Ti2CoNiSn2,-5.8924640467,0.2239663231,0.6856708357,0.6856708357,GGA,R3m,ABC2D2_hR18_160_a_a_2a_2a:Co-Ni-Sn-Ti,6.0,ABC2D2_hR18_160_a_a_2a_2a:Co-Ni-Sn-Ti +mp-1216950,TiCoNiSn,-6.5663058875,-0.3679263008,0.0581161993,0.0581161993,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Ni-Sn-Ti,4.0,ABCD_cF16_216_a_b_c_d:Co-Ni-Sn-Ti +mp-1216917,TiInNi2,-5.8809664900000005,-0.3291042133,0.0406507111,0.0406507111,GGA,P4/mmm,AB2C_tP4_123_a_h_b:In-Ni-Ti,4.0,AB2C_tP4_123_a_h_b:In-Ni-Ti +mp-22463,TiInNi2,-5.8897296275,-0.3378673508,0.0318875736,0.0318875736,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Ni-Ti,4.0,AB2C_cF16_225_a_c_b:In-Ni-Ti +mp-1217224,Ti4Co5Ni,-7.591070289,-0.3007009168,0.0737712619,0.0737712619,GGA,P4/mmm,A5BC4_tP10_123_a2g_d_2h:Co-Ni-Ti,10.0,"Invalid WP multiplicities - A5BC4_tP10_123_a3g_d_3h:Co-Ni-Ti, expected Ti6Co7Ni to be Ti4Co5Ni" +mp-1217339,Ti4In2CoNi,-6.3267397175,-0.0800159673,0.2078881231,0.2078881231,GGA,R-3m,AB2CD4_hR24_166_a_c_b_2c:Co-In-Ni-Ti,8.0,"Invalid WP multiplicities - AB2CD4_hR24_166_a_c_b_3c:Co-In-Ni-Ti, expected Ti6In2CoNi to be Ti4In2CoNi" +mp-20453,TiCoSn,-6.03897244,0.2988214489,0.6928081247,0.6928081247,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Sn-Ti,3.0,ABC_cF12_216_a_b_c:Co-Sn-Ti +mp-1216949,TiCoSn,-6.6622692533,-0.3244753644,0.0695113113,0.0695113113,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Sn-Ti,3.0,ABC_cF12_216_c_a_b:Co-Sn-Ti +mp-1217124,Ti2Co3Sn2,-6.8537724986,-0.405903766,0.0,-0.0264788799,GGA,R3m,A3B2C2_hR21_160_3a_2a_2a:Co-Sn-Ti,7.0,A3B2C2_hR21_160_3a_2a_2a:Co-Sn-Ti +mp-1224180,InGaCu2(TeSe)2,-3.9737958475,-0.5667173682000001,0.0307831881,0.0307831881,GGA,C2,A2BCD2E2_mC16_5_ab_a_b_c_c:Cu-Ga-In-Se-Te,8.0,A2BCD2E2_mC16_5_ab_a_b_c_c:Cu-Ga-In-Se-Te +mp-779662,Zr5Sn3O,-7.7505849461,-1.1157063432,0.0,-0.0008020751,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:O-Sn-Zr,18.0,"Invalid WP multiplicities - AB3C5_hP18_193_b_g_2d3g:O-Sn-Zr, expected Zr13Sn3O to be Zr5Sn3O" +mp-781634,HfZrO4,-10.2424582042,-3.8605174533,0.0570451404,0.0570451404,GGA,Cm,AB4C_mC48_8_2ab_8a4b_2ab:Hf-O-Zr,24.0,"Invalid WP multiplicities - AB4C_mC48_8_2ab_8a8b_2a2b:Hf-O-Zr, expected Hf2Zr3O12 to be HfZrO4" +mp-754134,HfZrO4,-10.2605532792,-3.8786125283,0.0389500654,0.0389500654,GGA,P2_1/c,AB4C_mP12_14_a_2e_d:Hf-O-Zr,12.0,"Invalid WP multiplicities - AB4C_mP12_14_a_3e_b:Hf-O-Zr, expected HfZrO6 to be HfZrO4" +mp-754478,HfZrO4,-10.2599435283,-3.8780027775,0.0395598162,0.0395598162,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Hf-O-Zr,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2gj_c:Hf-O-Zr, expected HfZrO6 to be HfZrO4" +mp-754964,HfZrO4,-10.2511157883,-3.8691750375,0.0483875562,0.0483875562,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Hf-O-Zr,12.0,AB4C_tI24_88_a_f_b:Hf-O-Zr +mp-1178248,HfZrO4,-10.2191889583,-3.8372482075,0.0803143862,0.0803143862,GGA,P2_13,AB4C_cP96_198_ab_4a4b_ab:Hf-O-Zr,96.0,"Invalid WP multiplicities - AB4C_cP96_198_2a3b_14a38b_4a5b:Hf-O-Zr, expected Hf11Zr19O128 to be HfZrO4" +mp-1518658,EuZr4SnO12,-9.1408961828,-3.1510272544,0.2099082511,0.2099082511,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Eu-O-Sn-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Eu-O-Sn-Zr, expected EuZr4SnO18 to be EuZr4SnO12" +mp-862606,EuSnO3,-8.37124034,-2.5499123823,0.0633872448,0.0633872448,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Eu-O-Sn,5.0,AB3C_cP5_221_a_c_b:Eu-O-Sn +mp-1517132,Eu2ZrSnO6,-9.342085229,-3.0669443938,0.0632935626,0.0632935626,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sn-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sn-Zr +mp-1518972,EuHfZrSnO6,-9.448041704,-3.2028821458,0.152971478,0.152971478,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sn-Zr +mp-1520691,Eu2HfZrO6,-10.510259598,-3.6403570453,0.0465568602,0.0465568602,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Zr +mp-505306,Eu2Sn2O7,-8.4187694245,-2.6769541256,0.0,-0.0791510737,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Eu-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Eu-O-Sn +mp-1517993,Eu2HfSnO6,-9.564076178,-3.1479865028,0.0219890734,0.0219890734,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Sn +mp-1245647,ZnAgN,-3.8830778642,0.2598536486,0.2962060229,0.2962060229,GGA,Cmce,ABC_oC24_64_e_f_f:Ag-N-Zn,12.0,ABC_oC24_64_e_f_f:Ag-N-Zn +mp-1245648,ZnAgN,-3.9384927267,0.2044387861,0.2407911604,0.2407911604,GGA,P-6m2,ABC_hP3_187_b_a_c:Ag-N-Zn,3.0,ABC_hP3_187_b_a_c:Ag-N-Zn +mp-1202600,Zn5Ag4Sn3Se13N6,-3.632785941,0.4034552328,0.9581143308,0.9581143308,GGA,F-43c,A4B6C13D3E5_cF248_219_e_f_bh_c_ae:Ag-N-Se-Sn-Zn,62.0,A4B6C13D3E5_cF248_219_e_f_bh_c_ae:Ag-N-Se-Sn-Zn +mp-1247313,Zn4AgN3,-3.9239908262,0.186136076,0.2237577717,0.2237577717,GGA,P1,AB3C4_aP32_1_4a_12a_16a:Ag-N-Zn,32.0,AB3C4_aP32_1_4a_12a_16a:Ag-N-Zn +mp-1093995,ZnAg2SnSe4,-3.69969721,-0.5849380372,0.0102979947,0.0102979947,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Ag-Se-Sn-Zn,8.0,A2B4CD_tI16_121_d_i_a_b:Ag-Se-Sn-Zn +mp-1029469,ZnSnN2,-5.6257945750000005,-0.1402182463,0.0,-0.1153914247,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Sn-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Sn-Zn +mp-1395833,Zn(SnN)2,-5.077965158,0.112410276,0.224584873,0.224584873,GGA,P-4m2,A2B2C_tP5_115_g_e_b:N-Sn-Zn,5.0,A2B2C_tP5_115_g_e_b:N-Sn-Zn +mp-1246829,Zn7SnN6,-4.4702925686,0.0187607654,0.0816398071,0.0816398071,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-Sn-Zn,56.0,A6BC7_oP56_60_3d_c_c3d:N-Sn-Zn +mp-1246805,Sn2SeN2,-5.587259724,0.0503492835,0.3177693105,0.3177693105,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Se-Sn,5.0,A2BC2_hP5_164_d_a_d:N-Se-Sn +mp-1247422,Zn4SnN4,-4.75463946,-0.0441365717,0.03592896,0.03592896,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Sn-Zn,18.0,A4BC4_aP18_2_4i_i_4i:N-Sn-Zn +mp-1445156,Zn2SnN2,-4.6217891600000005,0.018620625,0.130795222,0.130795222,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:N-Sn-Zn,10.0,A2BC2_mC20_12_2i_i_2i:N-Sn-Zn +mp-1028217,Mg14AlSi,-1.9287621025,0.0446638075,0.090899087,0.090899087,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Si, expected Mg18AlSi to be Mg14AlSi" +mp-1028210,Mg14AlSi,-1.950113195,0.023312715,0.0695479945,0.0695479945,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Si, expected Mg26AlSi to be Mg14AlSi" +mp-4499,MgAlSi,-3.6057092175,-0.0153179142,0.0490447892,0.0490447892,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Mg-Si,12.0,ABC_oP12_62_c_c_c:Al-Mg-Si +mp-31405,Mg4AlSi6,-3.7213548073,0.1603364845,0.2305503427,0.2305503427,GGA,C2/m,AB4C6_mC22_12_a_2i_3i:Al-Mg-Si,11.0,"Invalid WP multiplicities - AB4C6_mC22_12_a_3i_3i:Al-Mg-Si, expected Mg6AlSi6 to be Mg4AlSi6" +mp-22698,DyFeSi,-6.7816692717,-0.6142939117,0.0,-0.0477048029,GGA,P4/nmm,ABC_tP6_129_c_a_c:Dy-Fe-Si,6.0,ABC_tP6_129_c_a_c:Dy-Fe-Si +mp-1206589,Dy2FeSi2,-6.378559324,-0.671713134,0.013936336,0.013936336,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Dy-Fe-Si,10.0,A2BC2_mC20_12_2i_i_2i:Dy-Fe-Si +mp-1200833,Dy5Mg5Al12(Fe2Si3)2,-4.8092119072,-0.3587669875,0.0892719474,0.0892719474,GGA,P4/mmm,A12B5C4D5E6_tP32_123_jp_bo_m_ck_el:Al-Dy-Fe-Mg-Si,32.0,A12B5C4D5E6_tP32_123_jp_bo_m_ck_el:Al-Dy-Fe-Mg-Si +mp-1104283,Dy(Fe2Si)2,-7.4829562343,-0.4347408429,0.0288559186,0.0288559186,GGA,P4_2/mnm,AB4C2_tP14_136_a_i_f:Dy-Fe-Si,14.0,AB4C2_tP14_136_a_i_f:Dy-Fe-Si +mp-571315,Mg3Al8FeSi6,-4.1691019267,0.0413078611,0.1539601483,0.1539601483,GGA,P-62m,A8BC3D6_hP18_189_agh_b_f_i:Al-Fe-Mg-Si,18.0,"Invalid WP multiplicities - A8BC3D6_hP18_189_a2g2h_b_f_i:Al-Fe-Mg-Si, expected Mg3Al15FeSi6 to be Mg3Al8FeSi6" +mp-3833,Mg(AlSi)2,-3.967137474,0.02127608,0.059893702,0.059893702,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Mg-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Mg-Si +mp-9442,Dy3Fe2Si3,-6.5118231994,-0.6322785706,0.026612565,0.026612565,GGA,Cmcm,A3B2C3_oC32_63_cf_f_cf:Dy-Fe-Si,16.0,A3B2C3_oC32_63_cf_f_cf:Dy-Fe-Si +mp-1184194,Dy(Mg4Al3)4,-2.6557539634,-0.0640926669,0.0184249649,0.0184249649,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Dy-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_6b5c_a_a8b4c:Al-Dy-Mg, expected DyMg49Al48 to be Dy(Mg4Al3)4" +mp-1226028,Dy4Fe29Si5,-7.7726522626,-0.1099061416,0.1209839251,0.1209839251,GGA,P-1,A4B29C5_aP38_2_2i_abe13i_h2i:Dy-Fe-Si,38.0,"Invalid WP multiplicities - A4B29C5_aP38_2_3i_abe25i_h3i:Dy-Fe-Si, expected Dy6Fe53Si7 to be Dy4Fe29Si5" +mp-570561,Dy2MgSi2,-5.019420855,-0.686522897,0.0,-0.0484304316,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Dy-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:Dy-Mg-Si +mp-669393,Dy2Fe3Si5,-6.834280923,-0.659258177,0.0,-0.0565974343,GGA,P4/mnc,A2B3C5_tP40_128_h_dh_egh:Dy-Fe-Si,40.0,"Invalid WP multiplicities - A2B3C5_tP40_128_h_2d2h_3e5g6h:Dy-Fe-Si, expected Dy2Fe6Si25 to be Dy2Fe3Si5" +mp-1185751,Mg17Al11Si,-2.5654402072,-0.0195294138,0.0178531591,0.0178531591,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Si,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Si, expected Mg27Al19Si to be Mg17Al11Si" +mp-1212851,Dy3Fe2Si7,-6.3011401433,-0.5730043808,0.0336253933,0.0336253933,GGA,Amm2,A3B2C7_oC24_38_a2b_2a_4a3b:Dy-Fe-Si,12.0,A3B2C7_oC24_38_a2b_2a_4a3b:Dy-Fe-Si +mp-1225375,Dy(Fe5Si)2,-7.9422361146,-0.2378026531,0.0118263723,0.0118263723,GGA,Immm,AB10C2_oI26_71_a_efgk_h:Dy-Fe-Si,13.0,AB10C2_oI26_71_a_efgk_h:Dy-Fe-Si +mp-4939,Dy(FeSi)2,-7.12852853,-0.6490354660000001,0.0,-0.07430447,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Dy-Fe-Si,5.0,AB2C2_tI10_139_a_d_e:Dy-Fe-Si +mp-1225389,Dy2Fe4Si9,-6.423766048,-0.295664662,0.2335736698,0.2335736698,GGA,P-3m1,A2B4C9_hP15_164_d_2d_a2c2d:Dy-Fe-Si,15.0,A2B4C9_hP15_164_d_2d_a2c2d:Dy-Fe-Si +mp-1022263,Mg6FeSi,-2.7755062312,0.1616212113,0.2947061986,0.2947061986,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Si, expected Mg12FeSi to be Mg6FeSi" +mp-1099275,Mg6FeSi,-2.761204475,0.1759229675,0.3090079548,0.3090079548,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:Fe-Mg-Si +mp-1185706,Mg16Al12Si,-2.6198627034,2.38066e-05,0.0367145166,0.0367145166,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Si,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b6c_a:Al-Mg-Si, expected Mg61Al39Si to be Mg16Al12Si" +mp-7062,Mg3Al9FeSi5,-4.2143046239,-0.0972138472,0.01543844,0.01543844,GGA,P-62m,A9BC3D5_hP18_189_fi_a_g_bh:Al-Fe-Mg-Si,18.0,"Invalid WP multiplicities - A9BC3D5_hP18_189_2f2i_a_g_b2h:Al-Fe-Mg-Si, expected Mg3Al18FeSi9 to be Mg3Al9FeSi5" +mp-1099083,Mg14FeSi,-2.1807521619,0.0879515844,0.1638875085,0.1638875085,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Si, expected Mg18FeSi to be Mg14FeSi" +mp-1027884,Mg14FeSi,-2.1425068206,0.1261969256,0.2021328498,0.2021328498,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Si, expected Mg26FeSi to be Mg14FeSi" +mp-1198317,Mg4AlSi3,-3.3122116916,-0.0093804266,0.0871636284,0.0871636284,GGA,P4/ncc,AB4C3_tP32_130_c_g_cf:Al-Mg-Si,32.0,AB4C3_tP32_130_c_g_cf:Al-Mg-Si +mp-1023285,Mg6AlSi,-2.2744378362,0.0721339337,0.1373666208,0.1373666208,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Si, expected Mg12AlSi to be Mg6AlSi" +mp-1023287,Mg6AlSi,-2.2802429381,0.0663288319,0.1315615189,0.1315615189,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Si, expected Mg12AlSi to be Mg6AlSi" +mp-865006,Dy2MgAl,-3.9088799125,-0.2690225225,0.0,-0.0213265422,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Dy-Mg,4.0,AB2C_cF16_225_a_c_b:Al-Dy-Mg +mp-1225432,Dy2FeSi4,-6.11499104,-0.4885814671,0.1481904042,0.1481904042,GGA,Amm2,A2BC4_oC14_38_ab_a_2a2b:Dy-Fe-Si,7.0,A2BC4_oC14_38_ab_a_2a2b:Dy-Fe-Si +mp-1207111,Mg2(AlSi2)3,-4.0190552855,0.2526897845,0.2877967136,0.2877967136,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:Al-Mg-Si,11.0,A3B2C6_mC22_12_ai_i_3i:Al-Mg-Si +mp-1207132,Mg2(AlSi2)3,-4.0463083955,0.2254366745,0.2605436036,0.2605436036,GGA,C2/m,A3B2C6_mC22_12_ai_i_3i:Al-Mg-Si,11.0,A3B2C6_mC22_12_ai_i_3i:Al-Mg-Si +mp-1220803,NaLaScSbO6,-7.6348206635,-2.9948071624,0.0168744104,0.0168744104,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Na-O-Sb-Sc,20.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Na-O-Sb-Sc +mp-1076970,LaScSb,-6.077063015,-0.9445705317,0.0,-0.0232262367,GGA,I4/mmm,ABC_tI12_139_e_e_c:La-Sb-Sc,6.0,ABC_tI12_139_e_e_c:La-Sb-Sc +mp-1045620,Ba2ZnCu3F14,-4.8282664022,-2.62046545,0.0,-0.0702436541,GGA,C2/c,A2B3C14D_mC80_15_f_af_7f_e:Ba-Cu-F-Zn,40.0,"Invalid WP multiplicities - A2B3C14D_mC80_15_f_cf_24f_e:Ba-Cu-F-Zn, expected Ba2ZnCu3F48 to be Ba2ZnCu3F14" +mp-1208187,ZnSn3F6,-3.89901644,-1.423283142,0.899412191,0.899412191,GGA,P-1,A6B3C_aP10_2_3i_bce_a:F-Sn-Zn,10.0,A6B3C_aP10_2_3i_bce_a:F-Sn-Zn +mp-1367554,ZnSnF5,-4.6611096625,-2.5430081907,0.1466342975,0.1466342975,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Sn-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Sn-Zn +mp-1402445,ZnSnF5,-4.676679105,-2.5585776332,0.131064855,0.131064855,GGA,C2/c,A5BC_mC28_15_e2f_a_e:F-Sn-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Sn-Zn, expected ZnSnF7 to be ZnSnF5" +mp-1860697,ZnCuF4,-4.29692308,-2.1294453883,0.078524865,0.078524865,GGA,Ima2,AB4C_oI24_46_b_2c_a:Cu-F-Zn,12.0,AB4C_tI24_140_d_l_a:Cu-F-Zn +mp-1443188,ZnCuF4,-4.2974568292,-2.1299791375,0.0779911158,0.0779911158,GGA,Ibam,AB4C_oI24_72_c_k_b:Cu-F-Zn,12.0,AB4C_tI24_140_d_l_a:Cu-F-Zn +mp-1041328,BaZnSnF7,-5.108988817,-3.0521244993,0.1042999148,0.1042999148,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Sn-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Sn-Zn, expected BaZnSnF23 to be BaZnSnF7" +mp-13903,ZnSnF6,-4.842720825,-2.7504471662,0.0,-0.0808752963,GGA,R-3,A6BC_hR24_148_f_a_b:F-Sn-Zn,8.0,A6BC_hR24_148_f_a_b:F-Sn-Zn +mp-1041302,BaZnCuF7,-4.8117876283,-2.745959829,0.0,-0.0584256524,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Cu-F-Zn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Cu-F-Zn, expected BaZnCuF23 to be BaZnCuF7" +mp-1045777,Ba2ZnCuSn2F14,-5.1717849347,-2.972947464,0.1363265358,0.1363265358,GGA,P1,A2BC14D2E_aP40_1_4a_2a_28a_4a_2a:Ba-Cu-F-Sn-Zn,40.0,A2BC14D2E_aP40_1_4a_2a_28a_4a_2a:Ba-Cu-F-Sn-Zn +mp-1358549,Ba2CuSn2F14,-5.3472409805,-3.0989775171,0.0491960116,0.0491960116,GGA,C2/c,A2BC14D2_mC76_15_f_a_7f_f:Ba-Cu-F-Sn,38.0,"Invalid WP multiplicities - A2BC14D2_mC76_15_f_c_24f_f:Ba-Cu-F-Sn, expected Ba2CuSn2F48 to be Ba2CuSn2F14" +mp-1386624,ZnSnF4,-4.717406305,-2.5648677492000003,0.0214618813,0.0214618813,GGA,P1,A4BC_aP12_1_8a_2a_2a:F-Sn-Zn,12.0,"Invalid WP multiplicities - A4BC_aP12_2_6i_i_ae:F-Sn-Zn, expected ZnSnF6 to be ZnSnF4" +mp-1369804,ZnCuF5,-4.1481922207,-2.0172857754,0.0,-0.1247398439,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Cu-F-Zn,28.0,AB5C_mP28_14_e_5e_e:Cu-F-Zn +mp-1518637,SrCaEuSbO6,-7.508025829,-2.7319029649,0.1401059554,0.1401059554,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Ca-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Ca-Eu-O-Sb-Sr +mp-1519437,SrCaEuSbO6,-7.585476756,-2.8093538919,0.0626550284,0.0626550284,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:Ca-Eu-O-Sb-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_f_2c2d:Ca-Eu-O-Sb-Sr, expected Sr2CaEuSbO12 to be SrCaEuSbO6" +mp-1518710,SrCaEuSbO6,-7.602761787,-2.8266389229,0.0453699974,0.0453699974,GGA,P-4n2,ABC6DE_tP20_118_a_c_ei_b_d:Ca-Eu-O-Sb-Sr,20.0,ABC6DE_tP20_118_a_c_ei_b_d:Ca-Eu-O-Sb-Sr +mp-1519305,SrCaEuSbO6,-7.5899782245,-2.8138553604,0.0581535599,0.0581535599,GGA,P-4n2,ABC6DE_tP20_118_c_a_ei_b_d:Ca-Eu-O-Sb-Sr,20.0,ABC6DE_tP20_118_c_a_ei_b_d:Ca-Eu-O-Sb-Sr +mp-1519249,SrCaEuSbO6,-7.509513597,-2.7333907329,0.1386181874,0.1386181874,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Eu-O-Sb-Sr +mp-1522409,Sr2EuSbO6,-7.5918952765,-2.8473830551,0.0,-0.0212719871,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Eu-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Eu-O-Sb-Sr +mp-1522276,Sr2EuSbO6,-7.54789189,-2.8033796686,0.0440033865,0.0227313994,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Eu-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Eu-O-Sb-Sr +mp-1187175,SrCaEu2,-6.0100391975,0.0422350358,0.0422350358,0.0422350358,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Eu-Sr,4.0,AB2C_cF16_225_a_c_b:Ca-Eu-Sr +mp-1208881,Sr2CaSbO6,-6.661379879,-2.7420078496,0.0,-0.02768516,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ca-O-Sb-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Ca-O-Sb-Sr +mp-1187134,Sr2CaEu,-3.8788072475,0.0315898992,0.0315898992,0.0315898992,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Sr,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Sr +mp-972216,Sr2SmSbO6,-7.25041523,-3.0597445751,0.0,-0.0642471644,GGA,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Sb-Sm-Sr,20.0,A6BCD2_mP20_14_3e_a_b_e:O-Sb-Sm-Sr +mp-1520995,Sr2SmSbO6,-7.2253337023,-3.0346630473,0.0250815277,-0.0391656367,GGA,Pn-3,A6BCD2_cP40_201_h_b_c_ad:O-Sb-Sm-Sr,40.0,A6BCD2_cP40_201_h_b_c_ad:O-Sb-Sm-Sr +mp-1521056,Sr2SmSbO6,-7.180764774,-2.9900941191,0.069650456,0.0054032916,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:O-Sb-Sm-Sr,10.0,A6BCD2_cF40_225_e_a_b_c:O-Sb-Sm-Sr +mp-1218974,SmNiSb,-5.75055575,-0.8746477317,0.4974971349,0.4974971349,GGA,P-6m2,ABC_hP3_187_a_c_f:Ni-Sb-Sm,3.0,ABC_hP3_187_a_c_f:Ni-Sb-Sm +mp-1206264,SmNiSb,-5.7656417367,-0.8897337183,0.4824111483,0.4824111483,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ni-Sb-Sm,6.0,ABC_hP6_194_c_d_a:Ni-Sb-Sm +mp-569881,Sr(NiSb)2,-4.898605688,-0.5970518293,0.0,-0.0227555585,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Sb-Sr,5.0,A2B2C_tI10_139_d_e_a:Ni-Sb-Sr +mp-1218013,SrSm3(NiO4)2,-7.6133465736,-2.8291297944,0.0525834186,0.0525834186,GGA+U,Amm2,A2B8C3D_oC28_38_ab_2a2bf_a2b_a:Ni-O-Sm-Sr,14.0,A2B8C3D_oC28_38_ab_2a2bf_a2b_a:Ni-O-Sm-Sr +mp-1518883,SrSm(NiO3)4,-6.0161275733,-1.0778558598,0.3788004924,0.3788004924,GGA+U,P4/mmm,A4B12CD_tP18_123_i_efr_a_d:Ni-O-Sm-Sr,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_i_2e2fr_a_d:Ni-O-Sm-Sr, expected SrSm(NiO4)4 to be SrSm(NiO3)4" +mp-1079250,SmNiSb2,-5.4979308112,-0.8087494875,0.2628129335,0.2628129335,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ni-Sb-Sm,8.0,AB2C_tP8_129_a_bc_c:Ni-Sb-Sm +mp-568805,SmNiSb3,-5.2940556998,-0.7169103928,0.140339544,0.140339544,GGA,Pbcm,AB3C_oP60_57_ce_c2d3e_de:Ni-Sb-Sm,60.0,"Invalid WP multiplicities - AB3C_oP60_57_3c3e_2c7d18e_3d3e:Ni-Sb-Sm, expected SmNiSb5 to be SmNiSb3" +mp-1080567,Sm(NiSb)2,-5.603117668,-0.695745273,0.4471328929,0.4471328929,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Ni-Sb-Sm,10.0,A2B2C_tP10_129_ac_bc_c:Ni-Sb-Sm +mp-568599,Sm(NiSb)2,-5.546986034,-0.639613639,0.5032645269,0.5032645269,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Sb-Sm,5.0,A2B2C_tI10_139_d_e_a:Ni-Sb-Sm +mp-1217781,SrSmNiO4,-7.1875313629,-2.6196783467,0.0364592063,0.0364592063,GGA+U,Cmcm,AB4CD_oC28_63_c_2cd_c_c:Ni-O-Sm-Sr,14.0,"Invalid WP multiplicities - AB4CD_oC28_63_c_4cd_c_c:Ni-O-Sm-Sr, expected SrSmNiO6 to be SrSmNiO4" +mp-1217760,SrSmNiO4,-7.2079467486,-2.6400937324,0.0160438206,0.0160438206,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Ni-O-Sm-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Ni-O-Sm-Sr +mp-555258,Ba3NaRu2O9,-6.9308319228,-2.2542683499,0.0027573555,-0.0229482104,GGA,Pmma,A3BC9D2_oP60_51_efij_ad_efij2k2l_ij:Ba-Na-O-Ru,120.0,"Invalid WP multiplicities - A3BC9D2_oP60_51_3e3f5i7j_3a4d_4e4f8i8j14k27l_6i7j:Ba-Na-O-Ru, expected Ba30Na7(Ru13O88)2 to be Ba3NaRu2O9" +mp-542123,Ba3NaRu2O9,-6.9335892783,-2.2570257054,0.0,-0.0257055659,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Na-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Na-O-Ru +mp-1198431,Ba3NaRu2O9,-6.9298555648,-2.2532919919,0.0037337135,-0.0219718524,GGA,Cmcm,A3BC9D2_oC240_63_2c2fgh_abd_2c2f5g5h_2fh:Ba-Na-O-Ru,120.0,A3BC9D2_oC240_63_2c2fgh_abd_2c2f5g5h_2fh:Ba-Na-O-Ru +mp-542286,Ba4Na(RuO4)3,-7.0721760425,-2.2630811821,0.0,-0.0230663064,GGA,P6_3mc,A4BC12D3_hP40_186_a3b_b_4c_2ab:Ba-Na-O-Ru,40.0,A4BC12D3_hP40_186_a3b_b_4c_2ab:Ba-Na-O-Ru +mp-554687,Ba6Na2As2Ru2O17,-6.8075707853,-2.4586173299,0.0,-0.0192573232,GGA,P6_3/mmc,A2B6C2D17E2_hP58_194_f_ab2f_e_fh2k_f:As-Ba-Na-O-Ru,58.0,"Invalid WP multiplicities - A2B6C2D17E2_hP58_194_f_2a2b5f_e_4f6h13k_f:As-Ba-Na-O-Ru, expected Ba7NaAsRuO52 to be Ba6Na2As2Ru2O17" +mp-1229142,Ba5Na2Ru3O14,-6.8376125569,-2.2827469375,0.0,-0.0037886538,GGA,P2_1,A5B2C14D3_mP48_4_5a_2a_14a_3a:Ba-Na-O-Ru,48.0,"Invalid WP multiplicities - A5B2C14D3_mP48_4_9a_4a_26a_5a:Ba-Na-O-Ru, expected Ba9Na4Ru5O26 to be Ba5Na2Ru3O14" +mp-683887,Ba5Na2Ru3O14,-6.8115360785,-2.2566704592,0.0260764783,0.0222878245,GGA,Cmc2_1,A5B2C14D3_oC96_36_5a_2a_4a5b_3a:Ba-Na-O-Ru,48.0,"Invalid WP multiplicities - A5B2C14D3_oC96_36_8a_4a_8a19b_6a:Ba-Na-O-Ru, expected Ba4Na2Ru3O23 to be Ba5Na2Ru3O14" +mp-9745,Ba3NaRuO6,-6.6327662468,-2.4478585267,0.0,-0.0749781429,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Ru,22.0,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Ru +mp-1516495,Eu2ZrNbO6,-10.208580019,-3.3242658652,0.0745967053,0.0745967053,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Zr +mp-1517008,Ca2ZrNbO6,-8.487876893,-3.2538431233000003,0.1899773586,0.1899773586,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Nb-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Nb-O-Zr +mp-1519002,CaEuZrNbO6,-9.347163461,-3.2879894993,0.1439499026,0.1439499026,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Zr +mp-1523074,CaEuZr2O6,-9.497465516,-3.5936519953,0.0654053705,0.0654053705,GGA,Cmmm,ABC6D2_oC20_65_a_b_ehj_f:Ca-Eu-O-Zr,10.0,ABC6D2_oC20_65_a_b_ehj_f:Ca-Eu-O-Zr +mp-1020596,NaGa(GeO3)2,-6.5037706625,-2.1760897332,0.0127660761,0.0127660761,GGA,C2/c,AB2CD6_mC40_15_e_f_e_3f:Ga-Ge-Na-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Ga-Ge-Na-O +mp-1201105,Na4Ga3Ge3O16,-5.8883682692,-1.7579647236,0.1586940023,0.1586940023,GGA,P-43n,A3B3C4D16_cP52_218_c_d_e_ei:Ga-Ge-Na-O,52.0,A3B3C4D16_cP52_218_c_d_e_ei:Ga-Ge-Na-O +mp-1202531,Na4Ga8Ge15,-3.7004968322,-0.0390047145,0.0375440875,0.0375440875,GGA,Pm-3n,A8B15C4_cP54_223_i_ck_ad:Ga-Ge-Na,54.0,A8B15C4_cP54_223_i_ck_ad:Ga-Ge-Na +mp-1202169,NaPr3Ge4O13,-7.4855522755,-2.7967757410000003,0.0,-0.0163304806,GGA,P-1,A4BC13D3_aP42_2_4i_i_13i_3i:Ge-Na-O-Pr,42.0,A4BC13D3_aP42_2_4i_i_13i_3i:Ge-Na-O-Pr +mp-1210845,NaGaGeO4,-6.3354200806,-2.2267909355,0.0,-0.0321026995,GGA,P2_1/c,ABCD4_mP84_14_3e_3e_3e_12e:Ga-Ge-Na-O,84.0,ABCD4_mP84_14_3e_3e_3e_12e:Ga-Ge-Na-O +mp-1212281,NaGaGeO4,-6.3336380493,-2.2250089042,0.0017820313,-0.0303206682,GGA,P2_1/c,ABCD4_mP84_14_3e_3e_3e_12e:Ga-Ge-Na-O,84.0,ABCD4_mP84_14_3e_3e_3e_12e:Ga-Ge-Na-O +mp-727909,Na2PrGeO5,-6.4954393067,-2.4085028897000003,0.0559133967,0.0559133967,GGA,Pnma,AB2C5D_oP36_62_c_d_3cd_c:Ge-Na-O-Pr,36.0,AB2C5D_oP36_62_c_d_3cd_c:Ge-Na-O-Pr +mp-1221029,NaPr9(Ge3O13)2,-7.8799396276,-3.1013027059,0.0,-0.0718332454,GGA,P3,A6BC26D9_hP42_143_2d_a_2b8d_a2c2d:Ge-Na-O-Pr,42.0,A6BC26D9_hP42_143_2d_a_2b8d_a2c2d:Ge-Na-O-Pr +mp-1189202,Na5GaGe2,-2.48868483,-0.127837555,0.0,-0.0166626644,GGA,P2_1/m,AB2C5_mP16_11_e_2e_e2f:Ga-Ge-Na,16.0,AB2C5_mP16_11_e_2e_e2f:Ga-Ge-Na +mp-1209621,PrGaGe2O7,-7.2856925891,-2.5873400012000003,0.0,-0.0598608634,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Pr,44.0,AB2C7D_mP44_14_e_2e_7e_e:Ga-Ge-O-Pr +mp-1221369,Na3Ga3Ge3O16,-5.8851235484,-1.6424048727,0.2280995131,0.2280995131,GGA,R3c,A3B3C3D16_hR150_161_b_b_b_a5b:Ga-Ge-Na-O,50.0,"Invalid WP multiplicities - A3B3C3D16_hR150_161_b_b_b_2a21b:Ga-Ge-Na-O, expected Na3Ga3Ge3O65 to be Na3Ga3Ge3O16" +mp-1521602,SrPrEuSbO6,-8.0521716555,-2.9985182039,0.0044848248,0.0044848248,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Eu-O-Pr-Sb-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Eu-O-Pr-Sb-Sr, expected SrPrEuSbO12 to be SrPrEuSbO6" +mp-1521604,SrPrEuSbO6,-8.0074019522,-2.9537485007,0.0492545281,0.0492545281,GGA,Pnnn,AB6CDE_oP40_48_ab_3m_e_f_cd:Eu-O-Pr-Sb-Sr,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_e_f_2c2d:Eu-O-Pr-Sb-Sr, expected Sr2PrEuSbO12 to be SrPrEuSbO6" +mp-1521843,SrPrEuSbO6,-7.944134226,-2.8904807744000003,0.1125222543,0.1125222543,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Pr-Sb-Sr +mp-1517311,PrEu2SbO6,-8.840544265,-2.9301399788,0.0907945862,0.0907945862,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Pr-Sb,40.0,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Pr-Sb +mp-1517181,PrEu2SbO6,-8.769087834,-2.8586835478,0.1622510172,0.1622510172,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Pr-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Pr-Sb +mp-1519896,Sr2PrSbO6,-7.1785494427,-2.9816468258,0.0,-0.0178633693,GGA,Pn-3,A6BCD2_cP40_201_h_b_c_ad:O-Pr-Sb-Sr,40.0,A6BCD2_cP40_201_h_b_c_ad:O-Pr-Sb-Sr +mp-1520081,Sr2PrSbO6,-7.119710967,-2.9228083501,0.0588384758,0.0409751064,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:O-Pr-Sb-Sr,10.0,A6BCD2_cF40_225_e_a_b_c:O-Pr-Sb-Sr +mp-1026905,BaMg14Cu,-1.6969057556,0.0794756387,0.1388920029,0.1388920029,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Cu-Mg, expected BaMg18Cu to be BaMg14Cu" +mp-1026889,BaMg14Cu,-1.6751586919,0.1012227025,0.1606390666,0.1606390666,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Cu-Mg, expected BaMg26Cu to be BaMg14Cu" +mp-2230644,Eu4Mg(Cu2O5)2,-7.8742464705,-2.1641411525,0.1694692079,0.1694692079,GGA,P1,A4B4CD10_aP19_1_4a_4a_a_10a:Cu-Eu-Mg-O,19.0,A4B4CD10_aP19_1_4a_4a_a_10a:Cu-Eu-Mg-O +mp-1032324,BaMg6CuO8,-5.8560520912000005,-2.4064663662,0.3822140391,0.3822140391,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Cu-Mg-O, expected BaMg6CuO12 to be BaMg6CuO8" +mp-1032347,BaMg6CuO8,-5.8453709456,-2.3957852206,0.3928951847,0.3928951847,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Cu-Mg-O, expected BaMg6CuO12 to be BaMg6CuO8" +mp-1022107,BaMg6Cu,-1.8605750412,0.0919076975,0.1820858844,0.1820858844,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Cu-Mg,8.0,ABC6_oC16_38_a_b_abde:Ba-Cu-Mg +mp-1022188,BaMg6Cu,-1.8727613206,0.0797214181,0.169899605,0.169899605,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Cu-Mg, expected BaMg12Cu to be BaMg6Cu" +mp-2225405,BaMgCuO2,-4.91218264,-1.4098148235,0.941512838,0.941512838,GGA,Pmm2,ABCD2_oP5_25_d_a_b_ac:Ba-Cu-Mg-O,5.0,ABCD2_oP5_25_d_a_b_ac:Ba-Cu-Mg-O +mp-2226469,Ba2MgCuO3,-5.3975371786,-1.915036788,0.5714197857000001,0.5714197857000001,GGA,Imm2,A2BCD3_oI14_44_c_a_b_ac:Ba-Cu-Mg-O,7.0,A2BCD3_oI14_44_c_a_b_ac:Ba-Cu-Mg-O +mp-2227401,Ba2MgCuO3,-5.1579434886,-1.675443098,0.8110134757,0.8110134757,GGA,Imm2,A2BCD3_oI14_44_2a_a_b_2ab:Ba-Cu-Mg-O,7.0,A2BCD3_oI14_44_2a_a_b_2ab:Ba-Cu-Mg-O +mp-2242299,Ba2MgCuO3,-5.4329940471,-1.9504936566,0.5359629171,0.5359629171,GGA,Imm2,A2BCD3_oI14_44_2a_a_b_2ab:Ba-Cu-Mg-O,7.0,A2BCD3_oI14_44_2a_a_b_2ab:Ba-Cu-Mg-O +mp-1214737,BaEu2CuO5,-8.3330517903,-2.6368708163,0.0182686568,0.0182686568,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Eu-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Eu-O +mp-1214709,Ba2Eu(CuO2)4,-6.6108950633,-1.93987586,0.0,-0.0166996823,GGA,Cmmm,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Eu-O,15.0,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Eu-O +mp-13223,EuMg2Cu9,-4.3342803154,-0.1384118212,0.0,-0.0106738846,GGA,P6_3/mmc,A9BC2_hP24_194_abck_d_f:Cu-Eu-Mg,24.0,"Invalid WP multiplicities - A9BC2_hP24_194_abc2k_d_f:Cu-Eu-Mg, expected EuMg2Cu15 to be EuMg2Cu9" +mp-2222792,BaMgCu3O4,-5.5679372344,-1.6119783628,0.17473615,0.17473615,GGA,P2/m,AB3CD4_mP9_10_c_en_a_2n:Ba-Cu-Mg-O,9.0,AB3CD4_mP9_10_a_en_c_2n:Ba-Cu-Mg-O +mp-2240510,BaMgCu3O4,-5.0926770956,-1.1367182239,0.6499962889,0.6499962889,GGA,Cmmm,AB3CD4_oC18_65_c_ag_b_p:Ba-Cu-Mg-O,9.0,AB3CD4_oC18_65_c_ag_b_p:Ba-Cu-Mg-O +mp-2229481,Ba4Mg(CuO2)4,-5.7866336388,-1.9486032753,0.1622928903,0.1622928903,GGA,P-1,A4B4CD8_aP17_2_2i_2i_a_4i:Ba-Cu-Mg-O,17.0,"Invalid WP multiplicities - A4B4CD8_aP17_2_2i_2i_a_6i:Ba-Cu-Mg-O, expected Ba4Mg(CuO3)4 to be Ba4Mg(CuO2)4" +mp-2229825,Ba4Mg(CuO2)4,-5.7850595976,-1.9470292341,0.1638669315,0.1638669315,GGA,P2/m,A4B4CD8_mP17_10_2m_2n_a_4n:Ba-Cu-Mg-O,17.0,"Invalid WP multiplicities - A4B4CD8_mP17_10_2m_2n_a_6n:Ba-Cu-Mg-O, expected Ba4Mg(CuO3)4 to be Ba4Mg(CuO2)4" +mp-2229460,Ba4Mg(CuO2)4,-5.6766786406000005,-1.8386482771,0.2722478885,0.2722478885,GGA,P2/m,A4B4CD8_mP17_10_2m_2n_a_4n:Ba-Cu-Mg-O,17.0,"Invalid WP multiplicities - A4B4CD8_mP17_10_2m_2n_a_6n:Ba-Cu-Mg-O, expected Ba4Mg(CuO3)4 to be Ba4Mg(CuO2)4" +mp-2229681,Ba4Mg(CuO2)4,-5.6767051324,-1.8386747688,0.2722213968,0.2722213968,GGA,Pmmm,A4B4CD8_oP17_47_jl_ik_c_moy:Ba-Cu-Mg-O,17.0,"Invalid WP multiplicities - A4B4CD8_mP17_10_2m_2n_a_6n:Ba-Cu-Mg-O, expected Ba4Mg(CuO3)4 to be Ba4Mg(CuO2)4" +mp-2240373,Eu2MgCuO4,-8.1137108975,-2.3636802519,0.3905613686,0.3905613686,GGA,I4/mmm,AB2CD4_tI16_139_a_e_b_cd:Cu-Eu-Mg-O,8.0,AB2CD4_tI16_139_a_e_b_cd:Cu-Eu-Mg-O +mp-1035297,BaMg14CuO16,-6.0880412006,-2.7265061478,0.1948542045,0.1948542045,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Cu-Mg-O, expected BaMg18CuO20 to be BaMg14CuO16" +mp-1035414,BaMg14CuO16,-6.0761336459,-2.7145985931,0.2067617592,0.2067617592,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Cu-Mg-O, expected BaMg30CuO32 to be BaMg14CuO16" +mp-1228334,Ba4Eu2Cu6O13,-6.7480798332,-2.0643959682,0.0187537273,0.0187537273,GGA,Fmmm,A4B6C2D13_oF100_69_m_gn_c_a2ijn:Ba-Cu-Eu-O,25.0,"Invalid WP multiplicities - A4B6C2D13_oF100_69_m_gn_c_a3ijn:Ba-Cu-Eu-O, expected Ba4Eu2(Cu2O5)3 to be Ba4Eu2Cu6O13" +mp-622211,Ba2EuCu3O7,-6.7329705308,-2.0391710947,0.0284443101,0.0284443101,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Eu-O,13.0,"Invalid WP multiplicities - A2B3CD7_oP13_47_k_c2j_f_a2i2jl:Ba-Cu-Eu-O, expected Ba2EuCu5O11 to be Ba2EuCu3O7" +mp-1037312,BaMg30CuO32,-6.2122821477,-2.8947724309,0.0929278949,0.0929278949,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Cu-Mg-O, expected BaMg110CuO72 to be BaMg30CuO32" +mp-1037251,BaMg30CuO32,-6.2187245087,-2.901214792,0.0864855338,0.0864855338,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Cu-Mg-O, expected BaMg90CuO80 to be BaMg30CuO32" +mp-1234183,Ba2EuMg(CuO2)4,-6.3759186381,-1.8968206319,0.1827302355,0.1827302355,GGA,Amm2,A2B4CDE8_oC32_38_2a_4b_a_a_2a6b:Ba-Cu-Eu-Mg-O,16.0,A2B4CDE8_oC32_38_2a_4b_a_a_2a6b:Ba-Cu-Eu-Mg-O +mp-2241319,Ba2EuMgCu3O7,-6.4147956836,-1.9419619179,0.2883469614,0.2883469614,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-Eu-Mg-O,14.0,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-Eu-Mg-O +mp-1522088,NaPrHfSnO6,-7.941818717,-2.9667862969,0.1420820938,0.1420820938,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Sn,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Sn +mp-1518846,NaPrHf4O12,-9.0448815867,-3.1953009365,0.1563544914,0.1563544914,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Hf-Na-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Hf-Na-O-Pr, expected NaPrHf4O18 to be NaPrHf4O12" +mp-1518838,NaPrHf2O6,-9.105558335,-3.5357641974,0.0603192485,0.0603192485,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Hf-Na-O-Pr,10.0,A2BC6D_cF40_225_c_a_d_b:Hf-Na-O-Pr +mp-1218171,SrNd3(NiO4)2,-7.6116163343,-2.8167792771,0.0231363423,0.0231363423,GGA+U,Amm2,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:Nd-Ni-O-Sr,14.0,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:Nd-Ni-O-Sr +mp-23093,Sr2NdBiO6,-6.958256373,-2.7914807993,0.0,-0.0393749591,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Nd-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Nd-O-Sr +mp-1518321,Sr2NdBiO6,-6.9152236947,-2.7484481211,0.0430326783,0.0036577191,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Nd-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Nd-O-Sr +mp-1518426,Sr2NdBiO6,-6.823206069,-2.6564304953,0.135050304,0.0956753449,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Nd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Nd-O-Sr +mp-1210154,Nd3Ni3Bi4,-5.302374559,-0.6016936732,0.0086020823,0.0086020823,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Nd-Ni,20.0,A4B3C3_cI40_220_c_a_b:Bi-Nd-Ni +mp-1519262,SrNd(NiO3)4,-6.0187776928,-1.0777525738,0.3712144662,0.3712144662,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Nd-Ni-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Nd-Ni-O-Sr, expected SrNd(NiO4)4 to be SrNd(NiO3)4" +mp-1218010,SrNdNiO4,-7.1908592743,-2.6159260727,0.0140485257,0.0114953639,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Nd-Ni-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Nd-Ni-O-Sr, expected SrNdNiO6 to be SrNdNiO4" +mp-1217981,SrNdNiO4,-7.2049078,-2.6299745985,0.0,-0.0025531618,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Nd-Ni-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Nd-Ni-O-Sr +mp-976277,Nd(NiBi)2,-5.148504609,-0.3466247985,0.0739994784,0.0739994784,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Bi-Nd-Ni,10.0,A2BC2_tP10_129_ac_c_bc:Bi-Nd-Ni +mp-1206719,NdNiBi,-5.46831618,-0.6720584325,0.0,-0.0275290167,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Nd-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Nd-Ni +mp-1519550,Sr2NiBiO6,-6.228184106,-1.9602096076,0.0984542525,0.0984542525,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Ni-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Ni-O-Sr +mp-1189753,Sr5Ni2BiO10,-6.3358195656,-2.2627575173,0.058741784,0.058741784,GGA+U,I4/mmm,AB2C10D5_tI36_139_a_e_c2ef_bg:Bi-Ni-O-Sr,18.0,AB2C10D5_tI36_139_a_e_c2ef_bg:Bi-Ni-O-Sr +mp-1516486,SrNdNiBiO6,-6.724720754,-2.1488808577,0.2159500675,0.2159500675,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Nd-Ni-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Nd-Ni-O-Sr +mp-1047030,Ca2Nb2CrO8,-8.6576055208,-3.0083465208,0.0860583058,0.0860583058,GGA+U,P-1,A2BC2D8_aP26_2_2i_i_2i_8i:Ca-Cr-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_aP26_2_4i_i_4i_16i:Ca-Cr-Nb-O, expected Ca4Nb4CrO16 to be Ca2Nb2CrO8" +mp-1220220,Nd4CuNiO8,-7.80168566,-2.9070111764,0.1045878255,0.1045878255,GGA+U,Amm2,AB4CD8_oC28_38_a_2c_b_2cde:Cu-Nd-Ni-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_38_a_3c_b_3c2d2e:Cu-Nd-Ni-O, expected Nd6CuNiO14 to be Nd4CuNiO8" +mp-1220196,Nd4Cu3Ni,-4.8645301162,-0.2207368138,0.0,-0.0037352009,GGA,Pm,A3B4C_mP8_6_a2b_2a2b_a:Cu-Nd-Ni,8.0,A3B4C_mP8_6_a2b_2a2b_a:Cu-Nd-Ni +mp-1220204,NdCuNi4,-5.591186515,-0.2598697113,0.0,-0.0052420697,GGA,Cmmm,ABC4_oC12_65_a_c_eh:Cu-Nd-Ni,6.0,ABC4_oC12_65_a_c_eh:Cu-Nd-Ni +mp-1022230,Mg6FeSn,-2.6606050587,0.0995541119,0.18339122,0.18339122,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Sn, expected Mg12FeSn to be Mg6FeSn" +mp-1022314,Mg6FeSn,-2.6660689438,0.0940902269,0.177927335,0.177927335,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Sn, expected Mg12FeSn to be Mg6FeSn" +mp-1027907,Mg14FeSn,-2.1347655319,0.0454540784,0.1010002074,0.1010002074,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Sn, expected Mg18FeSn to be Mg14FeSn" +mp-1027948,Mg14FeSn,-2.1010492487,0.0791703616,0.1347164906,0.1347164906,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Sn, expected Mg26FeSn to be Mg14FeSn" +mp-2226405,MgFeAgS2,-4.710740826,-0.4755894266,0.4985978677,0.4985978677,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S +mp-2227269,MgFeAgS2,-4.739453934,-0.5043025346,0.4698847597,0.4698847597,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S +mp-2226784,MgFeAgS2,-4.724216302,-0.4890649026,0.4851223917,0.4851223917,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S +mp-2228220,MgFeAgS2,-4.770817368,-0.5356659686,0.4385213257,0.4385213257,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-S +mp-1225504,Fe3Ag(SnS4)2,-5.5533805471,-0.5995689558,0.1425535331,0.1425535331,GGA,Imm2,AB3C8D2_oI28_44_a_bc_2c2d_d:Ag-Fe-S-Sn,14.0,AB3C8D2_oI28_44_a_bc_2c2d_d:Ag-Fe-S-Sn +mp-2223317,MgFeAg2SnS4,-4.5357852467,-0.5034758479,0.3051686727,0.3051686727,GGA,Cm,A2BCD4E_mC18_8_b_a_a_2ab_a:Ag-Fe-Mg-S-Sn,9.0,"Invalid WP multiplicities - A2BCD4E_mC18_8_b_a_a_2a2b_a:Ag-Fe-Mg-S-Sn, expected MgFeAg2SnS6 to be MgFeAg2SnS4" +mp-2227975,MgFeAg2SnS4,-4.5803683544,-0.5480589556000001,0.2605855649,0.2605855649,GGA,I222,A2BCD4E_oI18_23_f_a_c_k_b:Ag-Fe-Mg-S-Sn,9.0,"Invalid WP multiplicities - A2BCD4E_mC18_5_2a_b_a_3c_b:Ag-Fe-Mg-S-Sn, expected MgFeAg2SnS6 to be MgFeAg2SnS4" +mp-20002,FeAg2SnS4,-4.8349743475,-0.4986612801,0.0874671972,0.0874671972,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Ag-Fe-S-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Ag-Fe-S-Sn +mp-1225099,FeAg2Sn3S8,-4.8738484264,-0.6413164467,0.0,-0.0030982685,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Ag-Fe-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Ag-Fe-S-Sn, expected FeAg2Sn3S22 to be FeAg2Sn3S8" +mp-1193355,Mg2SnS4,-4.6454914014,-1.2517869125,0.0111353386,0.0111353386,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Mg-S-Sn,28.0,A2B4C_oP28_62_ac_2cd_c:Mg-S-Sn +mp-1198821,Nd6Fe13Cu,-7.1364156623,0.0045026875,0.022785786,0.022785786,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Cu-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Cu-Fe-Nd +mp-1105642,TbFe4(CuO4)3,-7.158343114,-1.6497263397,0.0149536014,0.0149536014,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Tb,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Tb +mp-1220268,NdFeCu,-5.7467306350000005,0.0323944692,0.1542817925,0.1542817925,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-Fe-Nd,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-Fe-Nd, expected Nd3(FeCu)2 to be NdFeCu" +mp-1189790,NdFe4(CuO4)3,-7.1633344215,-1.6480285806,0.0186907117,0.0186907117,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Nd-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Nd-O +mp-1217542,TbFeCu,-5.7749501833,-0.0404188567,0.1251188765,0.1251188765,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Tb,6.0,ABC_oI12_74_a_c_e:Cu-Fe-Tb +mp-1076096,SrCa3(CoO3)4,-6.707764011,-1.9327725706,0.1076546953,0.1076546953,GGA+U,P4/mmm,A3B4C12D_tP20_123_be_j_kln_d:Ca-Co-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_tP20_123_b2e_j_k2l3n_d:Ca-Co-O-Sr, expected SrCa5(CoO6)4 to be SrCa3(CoO3)4" +mp-1519495,SrCaZr4O12,-8.5031185283,-3.1005540623,0.2121965183,0.2121965183,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ca-O-Sr-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ca-O-Sr-Zr, expected SrCaZr4O18 to be SrCaZr4O12" +mp-1099694,SrCaCo2O5,-6.8810741299,-2.1427216322,0.0314738489,0.0314738489,GGA+U,P1,AB2C5D_aP144_1_16a_32a_80a_16a:Ca-Co-O-Sr,144.0,AB2C5D_aP144_1_16a_32a_80a_16a:Ca-Co-O-Sr +mp-1076675,SrCa3(Co2O5)2,-6.9101501845,-2.1542362186,0.0339000892,0.0339000892,GGA+U,P1,A3B4C10D_aP144_1_24a_32a_80a_8a:Ca-Co-O-Sr,144.0,A3B4C10D_aP144_1_24a_32a_80a_8a:Ca-Co-O-Sr +mp-1079027,Sr2ZrCoO6,-7.57054828,-2.6990345201,0.1355362342,0.1355362342,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Zr +mp-1517017,SrCa(CoO3)4,-6.3247868928,-1.242085279,0.2637901426,0.2637901426,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Co-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Co-O-Sr, expected SrCa(CoO4)4 to be SrCa(CoO3)4" +mp-631506,SrZrCo,-4.7072678867,1.0745694061,1.2690259278,1.2690259278,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Sr-Zr,3.0,ABC_cF12_216_a_b_c:Co-Sr-Zr +mp-1214384,Ca11GaSb9,-4.0218883117,-1.0575689849,0.0,-0.0546481364,GGA,Iba2,A11BC9_oI84_45_a5c_a_b4c:Ca-Ga-Sb,42.0,A11BC9_oI84_45_a5c_a_b4c:Ca-Ga-Sb +mp-17985,Ca5(GaSb3)2,-3.9857512642,-0.8428128885,0.0,-0.0051084085,GGA,Pbam,A5B2C6_oP26_55_a2g_h_g2h:Ca-Ga-Sb,26.0,A5B2C6_oP26_55_a2g_h_g2h:Ca-Ga-Sb +mp-6304,Sr2GaSbO6,-6.652706066,-2.6310844223,0.0264848688,0.0264848688,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Ga-O-Sb-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Ga-O-Sb-Sr +mp-6065,Sr2GaSbO6,-6.640203357,-2.6185817133,0.0389875778,0.0389875778,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ga-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ga-O-Sb-Sr +mp-1048045,Sr2GaSb2O7,-6.4606146758000005,-2.3529558102,0.1229378838,0.1229378838,GGA,C2,AB7C2D2_mC48_5_c_7c_2c_2c:Ga-O-Sb-Sr,24.0,"Invalid WP multiplicities - AB7C2D2_mC48_5_c_14c_3c_2c:Ga-O-Sb-Sr, expected Sr2GaSb3O14 to be Sr2GaSb2O7" +mp-2223886,Sr2MgCoO4,-6.4071042613,-2.4228118117,0.2008159484,0.2008159484,GGA+U,P1,ABC4D2_aP8_1_a_a_4a_2a:Co-Mg-O-Sr,8.0,ABC4D2_aP8_1_a_a_4a_2a:Co-Mg-O-Sr +mp-2223134,Sr2MgCoO4,-6.3835557463,-2.3992632967,0.2243644634,0.2243644634,GGA+U,P4/mmm,ABC4D2_tP8_123_a_b_ef_h:Co-Mg-O-Sr,8.0,ABC4D2_tP8_123_a_b_ef_h:Co-Mg-O-Sr +mp-2222847,Sr2MgCoO4,-6.1797454638,-2.1954530142,0.4281747459,0.4281747459,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Co-Mg-O-Sr,8.0,ABC4D2_tI16_139_a_b_ce_e:Co-Mg-O-Sr +mp-1522326,SrMg(CoO3)4,-6.1588627456,-1.0986789001,0.3633024903,0.3633024903,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Mg-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Mg-O-Sr, expected SrMg(CoO4)4 to be SrMg(CoO3)4" +mp-2217072,Sr2MgCo2O5,-6.53988395,-2.1469493397,0.2089562195,0.2089562195,GGA+U,P1,A2BC5D2_aP10_1_2a_a_5a_2a:Co-Mg-O-Sr,10.0,A2BC5D2_aP10_1_2a_a_5a_2a:Co-Mg-O-Sr +mp-2217124,Sr2MgCo2O5,-6.599000858,-2.2060662477,0.1498393115,0.1498393115,GGA+U,P1,A2BC5D2_aP10_1_2a_a_5a_2a:Co-Mg-O-Sr,10.0,A2BC5D2_aP10_1_2a_a_5a_2a:Co-Mg-O-Sr +mp-1022515,Mg6ZrCo,-3.0054777837,0.1517345569,0.2395857966,0.2395857966,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Zr, expected Mg12ZrCo to be Mg6ZrCo" +mp-1022513,Mg6ZrCo,-3.0459170069,0.1112953337,0.1991465735,0.1991465735,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Zr, expected Mg12ZrCo to be Mg6ZrCo" +mp-1028018,Mg14ZrCo,-2.3117773088,0.0669688866,0.1208478692,0.1208478692,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Zr, expected Mg18ZrCo to be Mg14ZrCo" +mp-1027936,Mg14ZrCo,-2.2810422794,0.0977039159,0.1515828985,0.1515828985,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Zr, expected Mg26ZrCo to be Mg14ZrCo" +mp-1028418,SrMg14Co,-1.8460713125,0.1040369343,0.1411989153,0.1411989153,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Sr, expected SrMg18Co to be SrMg14Co" +mp-1028394,SrMg14Co,-1.8178798787,0.132228368,0.1693903491,0.1693903491,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Sr, expected SrMg26Co to be SrMg14Co" +mp-1022494,SrMg6Zr,-2.4188369538,0.0610223442,0.1093299284,0.1093299284,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sr-Zr,8.0,A6BC_oC16_65_ehj_a_b:Mg-Sr-Zr +mp-1022492,SrMg6Zr,-2.3377302325,0.1421290654,0.1904366497,0.1904366497,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sr-Zr, expected SrMg12Zr to be SrMg6Zr" +mp-2217759,Sr2MgZrCoO6,-7.2283282745,-2.6541993973,0.3593109441,0.3593109441,GGA+U,Immm,ABC6D2E_oI22_71_a_c_el_f_b:Co-Mg-O-Sr-Zr,11.0,ABC6D2E_oI22_71_a_c_el_f_b:Co-Mg-O-Sr-Zr +mp-2228095,SrMgCoO3,-6.53714176,-2.330782188,0.1414791613,0.1414791613,GGA+U,P1,ABC3D_aP6_1_a_a_3a_a:Co-Mg-O-Sr,6.0,ABC3D_aP6_1_a_a_3a_a:Co-Mg-O-Sr +mp-2210646,SrMgCoO3,-6.0320889867,-1.8257294147,0.6465319346,0.6465319346,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Sr,6.0,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Sr +mp-1037017,SrMg30CoO32,-6.3092312853,-2.9482898555,0.0512086673,0.0512086673,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Sr, expected SrMg110CoO72 to be SrMg30CoO32" +mp-1037019,SrMg30CoO32,-6.3136831733,-2.9527417435,0.0467567793,0.0467567793,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Sr, expected SrMg90CoO80 to be SrMg30CoO32" +mp-2228325,Sr4Mg(Co2O5)2,-6.6451509026,-2.1052344734,0.1551134603,0.1551134603,GGA+U,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr +mp-2228341,Sr4Mg(Co2O5)2,-6.7087612826,-2.1688448534,0.0915030803,0.0915030803,GGA+U,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr +mp-2228374,Sr4Mg(Co2O5)2,-6.6454056753,-2.105489246,0.1548586876,0.1548586876,GGA+U,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:Co-Mg-O-Sr +mp-1035008,SrMg14CoO16,-6.2998823612,-2.8514838822,0.093472864,0.093472864,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Sr, expected SrMg18CoO20 to be SrMg14CoO16" +mp-1034977,SrMg14CoO16,-6.2785347431,-2.8301362641,0.1148204821,0.1148204821,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Sr, expected SrMg30CoO32 to be SrMg14CoO16" +mp-1027923,SrMg14Zr,-1.9639707362,0.0760989377,0.1109865019,0.1109865019,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-Zr, expected SrMg18Zr to be SrMg14Zr" +mp-1027848,SrMg14Zr,-1.9704176956,0.0696519783,0.1045395425,0.1045395425,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-Zr, expected SrMg26Zr to be SrMg14Zr" +mp-1022451,SrMg6Co,-2.1193015937,0.1806348498,0.2337597989,0.2337597989,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Sr, expected SrMg12Co to be SrMg6Co" +mp-1032293,SrMg6CoO8,-6.2236935419,-2.6003809645,0.2354922286,0.2354922286,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Sr, expected SrMg6CoO12 to be SrMg6CoO8" +mp-1032306,SrMg6CoO8,-6.2610537556,-2.6377411782,0.1981320148,0.1981320148,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Sr, expected SrMg6CoO12 to be SrMg6CoO8" +mp-645953,Fe5Te6(ClO9)2,-6.4987220855,-1.5326765522,0.0135796412,0.0135796412,GGA+U,P-1,A2B5C18D6_aP31_2_i_a2i_9i_3i:Cl-Fe-O-Te,31.0,"Invalid WP multiplicities - A2B5C18D6_aP31_2_i_a3i_15i_5i:Cl-Fe-O-Te, expected Fe7Te10(ClO15)2 to be Fe5Te6(ClO9)2" +mp-1188722,Fe2Te4ClO12,-6.1060905511,-1.3312449096,0.1924827736,0.1924827736,GGA+U,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Cl-Fe-O-Te,19.0,AB2C12D4_aP19_2_a_i_6i_2i:Cl-Fe-O-Te +mp-1201019,FeTe3ClO7,-6.0400681552,-1.5087934445,0.0,-0.009100943,GGA+U,P2_1/c,ABC7D3_mP48_14_e_e_7e_3e:Cl-Fe-O-Te,48.0,ABC7D3_mP48_14_e_e_7e_3e:Cl-Fe-O-Te +mp-1200464,Fe3Te3ClO10,-6.62685147,-1.5588864651,0.008454416,0.008454416,GGA+U,P2_1/c,AB3C10D3_mP68_14_e_3e_10e_3e:Cl-Fe-O-Te,68.0,AB3C10D3_mP68_14_e_3e_10e_3e:Cl-Fe-O-Te +mp-1201424,FeTe3BrO7,-5.991002645,-1.4843536284,0.0,-0.0087126056,GGA+U,P2_1/c,ABC7D3_mP48_14_e_e_7e_3e:Br-Fe-O-Te,48.0,ABC7D3_mP48_14_e_e_7e_3e:Br-Fe-O-Te +mp-1213361,Fe2Te4BrClO10,-6.061913246,-1.4851511295,0.0075390104,0.0075390104,GGA+U,P2_1/c,ABC2D10E4_mP72_14_e_e_2e_10e_4e:Br-Cl-Fe-O-Te,72.0,ABC2D10E4_mP72_14_e_e_2e_10e_4e:Br-Cl-Fe-O-Te +mp-1225925,Fe2Te4BrClO10,-6.0555549089,-1.4787927925,0.0138973475,0.0138973475,GGA+U,P2_1/c,ABC2D10E4_mP72_14_e_e_2e_10e_4e:Br-Cl-Fe-O-Te,72.0,ABC2D10E4_mP72_14_e_e_2e_10e_4e:Br-Cl-Fe-O-Te +mp-540997,FeTeCl7,-3.8846331194,-1.1565127057,0.0,-0.0277693887,GGA,P1,A7BC_aP18_1_14a_2a_2a:Cl-Fe-Te,18.0,A7BC_aP18_1_14a_2a_2a:Cl-Fe-Te +mp-540998,FeTeBr7,-3.4093629461,-0.9110823446,0.0,-0.054941529,GGA,P1,A7BC_aP18_1_14a_2a_2a:Br-Fe-Te,18.0,A7BC_aP18_1_14a_2a_2a:Br-Fe-Te +mp-554007,FeTe2BrO5,-6.0249899467,-1.4646449597,0.0117519696,0.0117519696,GGA+U,P2_1/c,ABC5D2_mP72_14_2e_2e_10e_4e:Br-Fe-O-Te,72.0,"Invalid WP multiplicities - ABC5D2_mP72_14_5e_5e_34e_14e:Br-Fe-O-Te, expected Fe5Te14Br5O34 to be FeTe2BrO5" +mp-559874,FeTe2ClO5,-6.0942522994,-1.5010730536,0.0071809302,0.0071809302,GGA+U,P2_1/c,ABC5D2_mP72_14_2e_2e_10e_4e:Cl-Fe-O-Te,72.0,"Invalid WP multiplicities - ABC5D2_mP72_14_2e_4e_37e_13e:Cl-Fe-O-Te, expected Fe4Te13Cl2O37 to be FeTe2ClO5" +mp-1216848,TiNbFe4,-8.84171239,-0.1955654072,0.0135242017,0.0135242017,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Nb-Ti,12.0,A4BC_hP12_164_abi_d_d:Fe-Nb-Ti +mp-1042259,Ca2TiNb2O8,-8.63844811,-3.1243856833,0.1795113176,0.1795113176,GGA,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Ca-Nb-O-Ti,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Ca-Nb-O-Ti, expected Ca2TiNb2O10 to be Ca2TiNb2O8" +mp-1047759,Ca2Nb2FeO8,-8.4985741888,-2.9403172088,0.078604989,0.078604989,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Ca-Fe-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Ca-Fe-Nb-O, expected Ca2Nb2FeO10 to be Ca2Nb2FeO8" +mp-20986,CaTi4(FeO4)3,-8.8176983348,-2.8998035292,0.0372662309,0.0372662309,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Fe-O-Ti,40.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Fe-O-Ti +mp-1234086,CaTiFe5O8,-8.1368157593,-2.0151685836,0.1585519505,0.1585519505,GGA+U,P1,AB5C8D_aP15_1_a_5a_8a_a:Ca-Fe-O-Ti,15.0,AB5C8D_aP15_1_a_5a_8a_a:Ca-Fe-O-Ti +mp-1233259,CaTiFe5O8,-8.0086312093,-1.8869840336,0.2867365005,0.2867365005,GGA+U,P-1,AB5C8D_aP15_2_b_adgi_4i_c:Ca-Fe-O-Ti,15.0,"Invalid WP multiplicities - AB5C8D_aP15_2_b_adgi_8i_c:Ca-Fe-O-Ti, expected CaTiFe5O16 to be CaTiFe5O8" +mp-1227734,Ca3Ti(FeO4)2,-7.8628087036,-2.8323912917,0.0173463061,0.0173463061,GGA+U,P2_1,A3B2C8D_mP28_4_3a_2a_8a_a:Ca-Fe-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_4_5a_2a_14a_a:Ca-Fe-O-Ti, expected Ca5Ti(FeO7)2 to be Ca3Ti(FeO4)2" +mp-743819,Ca10Ti8NbFeO30,-8.4338010001,-3.4299625497,0.001300766,0.001300766,GGA+U,P-1,A10BCD30E8_aP100_2_10i_i_i_30i_abeh6i:Ca-Fe-Nb-O-Ti,100.0,"Invalid WP multiplicities - A10BCD30E8_aP100_2_20i_i_i_60i_abeh9i:Ca-Fe-Nb-O-Ti, expected Ca20Ti11NbFeO60 to be Ca10Ti8NbFeO30" +mp-1200872,CaTi2FeO6,-8.7190112368,-3.1243374977,0.0193258535,0.0193258535,GGA+U,P4_2/nmc,ABC6D2_tP40_137_d_ab_f2g_e:Ca-Fe-O-Ti,40.0,ABC6D2_tP40_137_d_ab_f2g_e:Ca-Fe-O-Ti +mp-1216798,TiNbFeO6,-9.0299734775,-2.7914234181,0.0392344481,0.0392344481,GGA+U,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Fe-Nb-O-Ti,36.0,ABC6D_tP18_102_a_a_3c_a:Fe-Nb-O-Ti +mp-1227247,Ca4Ti3FeO12,-8.179639862,-3.2026817963,0.0222767055,0.0222767055,GGA+U,P2/m,A4BC12D3_mP20_10_mn_a_mn2o_ceh:Ca-Fe-O-Ti,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_10_mn_a_mn4o_ceh:Ca-Fe-O-Ti, expected Ca4Ti3FeO20 to be Ca4Ti3FeO12" +mp-1218257,SrLa3Mn4O12,-8.517020497,-2.8917284734,0.1408116303,0.1408116303,GGA+U,P2,A3B4C12D_mP20_3_abc_2e_abcd4e_d:La-Mn-O-Sr,20.0,A3B4C12D_aP20_1_3a_4a_12a_a:La-Mn-O-Sr +mp-1565572,SrLa3Mn4O12,-8.4784613215,-2.8531692979,0.1793708058,0.1793708058,GGA+U,C2/m,A3B4C12D_mC40_12_af_cde_gi2j_b:La-Mn-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_mC40_12_a2f_cde_gi7j_b:La-Mn-O-Sr, expected SrLa5Mn4O32 to be SrLa3Mn4O12" +mp-705906,SrLa3Mn4O12,-8.516204968,-2.8909129444,0.1416271593,0.1416271593,GGA+U,R-3c,A3B4C12D_hR120_167_e_bd_2ef_a:La-Mn-O-Sr,40.0,"Invalid WP multiplicities - A3B4C12D_hR120_167_e_2b2d_7e6f_a:La-Mn-O-Sr, expected SrLa3Mn8O57 to be SrLa3Mn4O12" +mp-1218242,SrLa3Mn4O12,-8.4899805475,-2.8646885239,0.1678515798,0.1678515798,GGA+U,Im-3m,A3B4C12D_cI40_229_b_c_h_a:La-Mn-O-Sr,20.0,A3B4C12D_cI40_229_b_c_h_a:La-Mn-O-Sr +mp-1518670,Sr2LaNbO6,-8.177687526,-3.3680443941,0.0653749438,0.0653749438,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:La-Nb-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:La-Nb-O-Sr +mp-1206761,Sr2LaNbO6,-8.085434793,-3.2757916611,0.1576276768,0.1576276768,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:La-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:La-Nb-O-Sr +mp-1218183,SrLaMnO4,-8.105093155,-3.0230544842,0.0925031064,0.0925031064,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:La-Mn-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:La-Mn-O-Sr, expected SrLaMnO6 to be SrLaMnO4" +mp-1218156,SrLaMnO4,-8.1115225629,-3.0294838921,0.0860736986,0.0860736986,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:La-Mn-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:La-Mn-O-Sr +mp-1218274,SrLa3MnO12,-7.1246705088,-2.1235061209,0.3731050085,0.3731050085,GGA+U,R3,A3BC12D_hR51_146_3a_a_4b_a:La-Mn-O-Sr,17.0,"Invalid WP multiplicities - A3BC12D_hR51_146_3a_a_12b_a:La-Mn-O-Sr, expected SrLa3MnO36 to be SrLa3MnO12" +mp-1218501,Sr4LaMn5O13,-7.9616397396,-2.6655088428,0.0393112467,0.0393112467,GGA+U,Pm,AB5C13D4_mP23_6_a_5b_5a8b_4a:La-Mn-O-Sr,23.0,AB5C13D4_mP23_6_a_5b_5a8b_4a:La-Mn-O-Sr +mp-1643923,Sr4LaMn5O13,-7.9093489865,-2.6132180898,0.0916019998,0.0916019998,GGA+U,Cm,AB5C13D4_mC92_8_b_10a_18a4b_4b:La-Mn-O-Sr,46.0,AB5C13D4_mC92_8_b_10a_18a4b_4b:La-Mn-O-Sr +mp-1667051,Sr4LaMn5O13,-7.9126927704,-2.6165618737000003,0.0882582159,0.0882582159,GGA+U,Cm,AB5C13D4_mC92_8_b_10a_18a4b_4b:La-Mn-O-Sr,46.0,AB5C13D4_mC92_8_b_10a_18a4b_4b:La-Mn-O-Sr +mp-1218579,Sr4LaMn5O13,-7.9187120443,-2.6225811476,0.0822389419,0.0822389419,GGA+U,P2/m,AB5C13D4_mP23_10_e_c2m_a4m2n_2n:La-Mn-O-Sr,23.0,AB5C13D4_mP23_10_e_a2m_c4m2n_2n:La-Mn-O-Sr +mp-1641399,Sr4LaMn5O13,-7.9150415124,-2.6189106157,0.0859094739,0.0859094739,GGA+U,C2/m,AB5C13D4_mC92_12_h_ab4i_9i2j_2j:La-Mn-O-Sr,46.0,"Invalid WP multiplicities - AB5C13D4_mC92_12_h_ab8i_17i2j_2j:La-Mn-O-Sr, expected Sr4LaMn9O21 to be Sr4LaMn5O13" +mp-1218670,Sr4LaMn5O13,-7.9379615433,-2.6418306465,0.062989443,0.062989443,GGA+U,P4_2/m,AB5C13D4_tP46_84_f_a2j_e4jk_k:La-Mn-O-Sr,46.0,AB5C13D4_tP46_84_f_a2j_e4jk_k:La-Mn-O-Sr +mp-1307757,Sr2LaMn2O7,-7.9243987037,-2.8189115725,0.095361363,0.095361363,GGA+U,C2,AB2C7D2_mC48_5_ab_2a2b_3a3b4c_2a2b:La-Mn-O-Sr,24.0,AB2C7D2_mC48_5_ab_2a2b_3a3b4c_2a2b:La-Mn-O-Sr +mp-1275052,Sr2LaMn2O7,-7.9261832279,-2.8206960967,0.0935768388,0.0935768388,GGA+U,Cm,AB2C7D2_mC48_8_2a_4a_14a_4a:La-Mn-O-Sr,24.0,AB2C7D2_mC48_8_2a_4a_14a_4a:La-Mn-O-Sr +mp-1310390,Sr2LaMn2O7,-7.9410317308,-2.8355445996,0.0787283359,0.0787283359,GGA+U,Cmcm,AB2C7D2_oC48_63_c_2c_3ch_2c:La-Mn-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_oC48_63_c_2c_5ch_4c:La-Mn-O-Sr, expected Sr4LaMn2O9 to be Sr2LaMn2O7" +mp-1292614,Sr2LaMn2O7,-7.940806485,-2.8353193538,0.0789535818,0.0789535818,GGA+U,Cmmm,AB2C7D2_oC48_65_ac_gh_bdghr_gh:La-Mn-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_12_ac_gh_bd2gh4j_2gh:La-Mn-O-Sr, expected Sr3LaMn2O12 to be Sr2LaMn2O7" +mp-1282896,Sr2LaMn2O7,-7.9462720112,-2.84078488,0.0734880555,0.0734880555,GGA+U,Immm,AB2C7D2_oI24_71_a_e_be2f_e:La-Mn-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_oI24_71_a_e_be4f_e:La-Mn-O-Sr, expected Sr2LaMn2O11 to be Sr2LaMn2O7" +mp-1218752,Sr2LaMn2O7,-7.9402993792,-2.834812248,0.0794606876,0.0794606876,GGA+U,I4mm,AB2C7D2_tI24_107_a_2a_3a2b_2a:La-Mn-O-Sr,12.0,AB2C7D2_tI24_107_a_2a_3a2b_2a:La-Mn-O-Sr +mp-1218756,Sr2LaMn2O7,-7.9515682692,-2.846081138,0.0681917976,0.0681917976,GGA+U,I4/mmm,AB2C7D2_tI24_139_a_e_beg_e:La-Mn-O-Sr,12.0,AB2C7D2_tI24_139_a_e_beg_e:La-Mn-O-Sr +mp-1650354,Sr4LaMn5O15,-7.846006742,-2.5778312201,0.0661460819,0.0661460819,GGA+U,P1,AB5C15D4_aP50_1_2a_10a_30a_8a:La-Mn-O-Sr,50.0,AB5C15D4_aP50_1_2a_10a_30a_8a:La-Mn-O-Sr +mp-1650384,Sr4LaMn5O15,-7.8478766388,-2.5797011169,0.0642761851,0.0642761851,GGA+U,Cm,AB5C15D4_mC100_8_2a_10a_10a10b_8a:La-Mn-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_mC50_8_a_8a_5a7b_4a:La-Mn-O-Sr, expected Sr4LaMn8O19 to be Sr4LaMn5O15" +mp-1218611,Sr4LaMn5O15,-7.8515736516,-2.5833981297,0.0605791723,0.0605791723,GGA+U,C2/m,AB5C15D4_mC50_12_a_c2i_bf2i2j_2i:La-Mn-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_mC50_12_b_2c4i_ae2i2j_2i:La-Mn-O-Sr, expected Sr4LaMn10O15 to be Sr4LaMn5O15" +mp-1218317,SrLa2Mn3O9,-8.4240405263,-2.8528570636,0.1248506843,0.1248506843,GGA+U,P2_1/c,A2B3C9D_mP60_14_2e_ab2e_9e_e:La-Mn-O-Sr,60.0,"Invalid WP multiplicities - A2B3C9D_mP60_14_6e_2a2b4e_33e_e:La-Mn-O-Sr, expected SrLa6Mn6O33 to be SrLa2Mn3O9" +mp-1302407,SrLa2Mn3O9,-8.3721969313,-2.8010134686,0.1766942793,0.1766942793,GGA+U,P3m1,A2B3C9D_hP15_156_ab_abc_3d_c:La-Mn-O-Sr,15.0,"Invalid WP multiplicities - A2B3C9D_hP15_156_ab_abc_7d_c:La-Mn-O-Sr, expected SrLa2Mn3O21 to be SrLa2Mn3O9" +mp-1208637,SrLa2Mn3O9,-8.40115529,-2.8299718273,0.1477359207,0.1477359207,GGA+U,P-3m1,A2B3C9D_hP15_164_d_bd_ei_a:La-Mn-O-Sr,15.0,A2B3C9D_hP15_164_d_bd_ei_a:La-Mn-O-Sr +mp-1218302,SrLa2Mn3O9,-8.4264279417,-2.8552444789,0.122463269,0.122463269,GGA+U,P-3c1,A2B3C9D_hP30_165_d_bd_fg_a:La-Mn-O-Sr,30.0,"Invalid WP multiplicities - A2B3C9D_hP30_165_d_2b2d_6f7g_a:La-Mn-O-Sr, expected SrLa2Mn6O60 to be SrLa2Mn3O9" +mp-1218213,SrLaMnNbO6,-8.7610935542,-3.2041982385,0.0,-0.0149035415,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:La-Mn-Nb-O-Sr,40.0,ABCD6E_mP20_7_a_a_a_6a_a:La-Mn-Nb-O-Sr +mp-1218167,SrLaMnO3,-7.8947625417,-2.7901655443,0.1817424261,0.1817424261,GGA+U,Cm,ABC3D_mC12_8_a_a_3a_a:La-Mn-O-Sr,6.0,ABC3D_mC12_8_a_a_3a_a:La-Mn-O-Sr +mp-1218796,Sr5La6Nb4O24,-8.5602882354,-3.504153386,0.0240925364,0.0240925364,GGA,C2/c,A6B4C24D5_mC156_15_3f_abcd_12f_3ef:La-Nb-O-Sr,78.0,"Invalid WP multiplicities - A6B4C24D5_mC156_15_5f_abcd_24f_5ef:La-Nb-O-Sr, expected Sr7La10Nb4O48 to be Sr5La6Nb4O24" +mp-2234765,SrLaMn2O6,-8.185881253,-2.722914912,0.1360763219,0.1360763219,GGA+U,I-4,AB2C6D_tI20_82_c_ab_eg_d:La-Mn-O-Sr,10.0,"Invalid WP multiplicities - AB2C6D_tI20_82_c_ab_2e2g_d:La-Mn-O-Sr, expected SrLaMn2O12 to be SrLaMn2O6" +mp-699554,SrLaMn2O6,-8.2275885838,-2.7646222428,0.0943689911,0.0943689911,GGA+U,P-42m,AB2C6D_tP60_111_acgh_3m_ef2m6n_bdgh:La-Mn-O-Sr,60.0,"Invalid WP multiplicities - AB2C6D_tP60_111_ac2g2h_10m_2e2f8m20n_bd2g2h:La-Mn-O-Sr, expected SrLaMn4O12 to be SrLaMn2O6" +mp-39412,SrLaMn2O6,-8.226097728,-2.763131387,0.0958598469,0.0958598469,GGA+U,I-42m,AB2C6D_tI20_121_a_d_ci_b:La-Mn-O-Sr,10.0,"Invalid WP multiplicities - AB2C6D_tI20_121_a_d_2c2i_b:La-Mn-O-Sr, expected SrLaMn2O12 to be SrLaMn2O6" +mp-1285223,Sr2MnNbO6,-8.228456148,-2.9962121974,0.0,-0.0203777324,GGA+U,C2/m,ABC6D2_mC20_12_a_b_g2i_h:Mn-Nb-O-Sr,40.0,ABC6D2_mC20_12_a_b_g2i_h:Mn-Nb-O-Sr +mp-1281818,Sr2MnNbO6,-8.2238188253,-2.9915748746,0.0046373228,-0.0157404097,GGA+U,C2/c,ABC6D2_mC40_15_c_e_3f_f:Mn-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_mC40_15_c_e_18f_f:Mn-Nb-O-Sr, expected Sr2MnNbO36 to be Sr2MnNbO6" +mp-1288318,Sr2MnNbO6,-8.2227053818,-2.9904614311,0.0057507663,-0.0146269662,GGA+U,Pnma,ABC6D2_oP40_62_c_c_4cd_d:Mn-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_oP40_62_c_c_14c2d_d:Mn-Nb-O-Sr, expected Sr2MnNbO18 to be Sr2MnNbO6" +mp-1218746,Sr2MnNbO6,-8.2222992543,-2.9900553036,0.0061568938,-0.0142208387,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Mn-Nb-O-Sr,40.0,ABC6D2_tI20_87_a_b_eh_d:Mn-Nb-O-Sr +mp-1275358,Sr2MnNbO6,-8.2180838683,-2.9858399176,0.0103722798,-0.0100054527,GGA+U,I4/mmm,ABC6D2_tI20_139_a_b_eh_d:Mn-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_tI20_139_a_b_2e3h_d:Mn-Nb-O-Sr, expected Sr2MnNbO16 to be Sr2MnNbO6" +mp-1078887,Sr2MnNbO6,-8.197523045,-2.9652790944,0.030933103,0.0105553706,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Mn-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Mn-Nb-O-Sr +mp-1218500,Sr3LaMn4O12,-7.924250143,-2.6236094846,0.0562034727,0.0562034727,GGA+U,P2,AB4C12D3_mP20_3_a_2e_abcd4e_bcd:La-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_3_a_4e_abcd7e_bcd:La-Mn-O-Sr, expected Sr3LaMn8O18 to be Sr3LaMn4O12" +mp-1218430,Sr3LaMn4O12,-7.9186853385,-2.6180446801,0.0617682772,0.0617682772,GGA+U,Im-3m,AB4C12D3_cI40_229_a_c_h_b:La-Mn-O-Sr,20.0,AB4C12D3_cI40_229_a_c_h_b:La-Mn-O-Sr +mp-1280652,SrLa2Mn2O7,-8.3647768937,-2.9887469582,0.1331157321,0.1331157321,GGA+U,Amm2,A2B2C7D_oC48_38_2a2b_2a2b_3a3b2f_ab:La-Mn-O-Sr,24.0,A2B2C7D_oC48_38_2a2b_2a2b_3a3b2f_ab:La-Mn-O-Sr +mp-1218243,SrLa2Mn2O7,-8.3760593546,-3.0000294191,0.1218332713,0.1218332713,GGA+U,I4mm,A2B2C7D_tI24_107_2a_2a_3a2b_a:La-Mn-O-Sr,24.0,"Invalid WP multiplicities - A2B2C7D_tI24_107_2a_4a_3a2b_a:La-Mn-O-Sr, expected SrLa2Mn4O7 to be SrLa2Mn2O7" +mp-753578,SrLa3MnO8,-8.1265502504,-3.1086241157,0.1490448589,0.1490448589,GGA+U,Cmcm,A3BC8D_oC52_63_cf_c_2cfh_c:La-Mn-O-Sr,26.0,"Invalid WP multiplicities - A3BC8D_oC52_63_2c3f_c_4c4f5h_c:La-Mn-O-Sr, expected SrLa8MnO32 to be SrLa3MnO8" +mp-1218776,Sr2La2Mn4O11,-8.2275382595,-2.7373994116,0.1548164418,0.1548164418,GGA+U,I4/mmm,A2B4C11D2_tI38_139_d_2e_aem_c:La-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2B4C11D2_tI38_139_d_4e_aem_c:La-Mn-O-Sr, expected Sr2La2Mn8O11 to be Sr2La2Mn4O11" +mp-691121,Sr3La5Mn8O24,-8.3748301058,-2.8307009235,0.1175346033,0.1175346033,GGA+U,C2,A5B8C24D3_mC80_5_a2c_4c_2a2b10c_a2b:La-Mn-O-Sr,40.0,"Invalid WP multiplicities - A5B8C24D3_mC80_5_a3c_7c_2a2b20c_a2b:La-Mn-O-Sr, expected Sr3La7Mn14O44 to be Sr3La5Mn8O24" +mp-1218228,SrLaMn2O5,-8.2954507772,-2.7751202551,0.0884533478,0.0884533478,GGA+U,Cm,AB2C5D_mC36_8_b_2ab_2a4b_b:La-Mn-O-Sr,18.0,AB2C5D_mC36_8_b_2ab_2a4b_b:La-Mn-O-Sr +mp-1218315,SrLaMn2O5,-8.3038799444,-2.7835494224,0.0800241806,0.0800241806,GGA+U,P2_12_12_1,AB2C5D_oP36_19_a_2a_5a_a:La-Mn-O-Sr,36.0,AB2C5D_oP36_19_a_2a_5a_a:La-Mn-O-Sr +mp-1218559,Sr3LaMn4O10,-8.0230999389,-2.6831312863,0.051662567,0.051662567,GGA+U,Pm,AB4C10D3_mP18_6_a_4b_4a6b_3a:La-Mn-O-Sr,18.0,AB4C10D3_mP18_6_a_4b_4a6b_3a:La-Mn-O-Sr +mp-1218518,Sr3LaNb3O12,-8.6151183216,-3.3693989995,0.0131452046,0.0131452046,GGA,R3,AB3C12D3_hR57_146_a_3a_4b_3a:La-Nb-O-Sr,19.0,AB3C12D3_hR57_146_a_3a_4b_3a:La-Nb-O-Sr +mp-1218311,SrLa3Mn4O10,-8.5862595133,-2.8855671217000003,0.0653107357,0.0653107357,GGA+U,C2,A3B4C10D_mC72_5_3c_ab3c_10c_c:La-Mn-O-Sr,36.0,A3B4C10D_mC72_5_3c_ab3c_10c_c:La-Mn-O-Sr +mp-1218306,SrLa3Mn4O10,-8.5878757603,-2.8871833687,0.0636944887,0.0636944887,GGA+U,Cc,A3B4C10D_mC72_9_3a_4a_10a_a:La-Mn-O-Sr,36.0,"Invalid WP multiplicities - A3B4C10D_mC72_9_4a_5a_15a_a:La-Mn-O-Sr, expected SrLa4Mn5O15 to be SrLa3Mn4O10" +mp-1218441,Sr3LaMn2O8,-7.7447292232,-2.8945843847,0.0430391304,0.0430391304,GGA+U,Amm2,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:La-Mn-O-Sr,28.0,"Invalid WP multiplicities - AB2C8D3_oC28_38_a_2a2b_2a2bf_a2b:La-Mn-O-Sr, expected Sr3LaMn4O8 to be Sr3LaMn2O8" +mp-1301481,Sr3LaMn2O8,-7.7417693386,-2.8916245001,0.0459990151,0.0459990151,GGA+U,Ima2,AB2C8D3_oI56_46_a_ab_2a2b2c_a2b:La-Mn-O-Sr,28.0,"Invalid WP multiplicities - AB2C8D3_oI56_46_a_ab_2a2b7c_a2b:La-Mn-O-Sr, expected Sr3LaMn2O18 to be Sr3LaMn2O8" +mp-2230021,Ba2MgNb4O12,-8.4070178258,-2.8699802139,0.282110901,0.282110901,GGA,P-1,A2BC4D12_aP19_2_af_c_2i_6i:Ba-Mg-Nb-O,19.0,"Invalid WP multiplicities - A2BC4D12_aP19_2_af_c_4i_12i:Ba-Mg-Nb-O, expected Ba2MgNb8O24 to be Ba2MgNb4O12" +mp-2230071,Ba2MgNb4O12,-8.5634212826,-3.0263836708,0.1257074442,0.1257074442,GGA,Pm,A2BC4D12_mP19_6_2a_a_4b_4a8b:Ba-Mg-Nb-O,19.0,A2BC4D12_mP19_6_2a_a_4b_4a8b:Ba-Mg-Nb-O +mp-2230428,Ba2MgNb4O12,-8.5826772026,-3.0456395908,0.1064515242,0.1064515242,GGA,Pm,A2BC4D12_mP19_6_2a_a_4b_4a8b:Ba-Mg-Nb-O,19.0,A2BC4D12_mP19_6_2a_a_4b_4a8b:Ba-Mg-Nb-O +mp-2230621,Ba2MgNb4O12,-8.5628845105,-3.0258468987,0.1262442163,0.1262442163,GGA,P2/m,A2BC4D12_mP19_10_n_b_2m_ac3m2n:Ba-Mg-Nb-O,19.0,"Invalid WP multiplicities - A2BC4D12_mP19_10_n_b_3m_ac6m4n:Ba-Mg-Nb-O, expected Ba2MgNb6O22 to be Ba2MgNb4O12" +mp-2231006,Ba2MgNb4O12,-8.5243951316,-2.9873575197,0.1647335952,0.1647335952,GGA,Pmm2,A2BC4D12_oP19_25_ac_a_2f_bd2e3f:Ba-Mg-Nb-O,19.0,"Invalid WP multiplicities - A2BC4D12_oP19_25_ac_a_2f_bd3e5f:Ba-Mg-Nb-O, expected Ba2MgNb4O18 to be Ba2MgNb4O12" +mp-2230568,Ba2MgNb4O12,-8.5157727658,-2.9787351539,0.173355961,0.173355961,GGA,Pmm2,A2BC4D12_oP19_25_ac_a_2f_bd2e3f:Ba-Mg-Nb-O,19.0,"Invalid WP multiplicities - A2BC4D12_oP19_25_ac_a_2f_bd3e5f:Ba-Mg-Nb-O, expected Ba2MgNb4O18 to be Ba2MgNb4O12" +mp-1096858,Ba3TaNb4O15,-9.0041278309,-3.2554211666,0.0,-0.0035847577,GGA,P4/mbm,A3B4C15D_tP46_127_ag_j_dhi2j_c:Ba-Nb-O-Ta,46.0,A3B4C15D_tP46_127_ag_j_dhi2j_c:Ba-Nb-O-Ta +mp-1228584,Ba4MgTa10O30,-9.5613820007,-3.4223905018,0.0,-0.0020777448,GGA,Imm2,A4BC30D10_oI90_44_2a2b_a_ab2c4d4e_c2e:Ba-Mg-O-Ta,45.0,"Invalid WP multiplicities - A4BC30D10_oI90_44_2a2b_a_ab2c8d4e_c2e:Ba-Mg-O-Ta, expected Ba4MgTa10O38 to be Ba4MgTa10O30" +mp-1033386,BaMg6NbO8,-6.2662643275,-2.4415474544,0.5267501335,0.5267501335,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ba-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ba-Mg-Nb-O, expected BaMg6NbO12 to be BaMg6NbO8" +mp-1033424,BaMg6NbO8,-6.2018251187,-2.3771082456,0.5911893422,0.5911893422,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ba-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ba-Mg-Nb-O, expected BaMg6NbO12 to be BaMg6NbO8" +mp-6474,Ba3MgNb2O9,-8.07415784,-3.2688236166,0.0,-0.0356188133,GGA,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Mg-Nb-O,15.0,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Mg-Nb-O +mp-1096815,Ba3Ta4NbO15,-9.367657563,-3.3898457783,0.0007037868,0.0007037868,GGA,P4/mbm,A3BC15D4_tP46_127_ag_c_dhi2j_j:Ba-Nb-O-Ta,46.0,A3BC15D4_tP46_127_ag_c_dhi2j_j:Ba-Nb-O-Ta +mp-1048419,Mg2TaNb2O8,-8.7300113577,-2.9735146269,0.0997339838,0.0997339838,GGA,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:Mg-Nb-O-Ta,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_4i_4i_16i_i:Mg-Nb-O-Ta, expected Mg4TaNb4O16 to be Mg2TaNb2O8" +mp-1038676,BaMg30NbO32,-6.3086134909,-2.8973209872,0.1352836343,0.1352836343,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ba-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ba-Mg-Nb-O, expected BaMg110NbO72 to be BaMg30NbO32" +mp-1098550,BaMg30NbO32,-6.2995362353,-2.8882437316000003,0.1443608899,0.1443608899,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ba-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ba-Mg-Nb-O, expected BaMg90NbO80 to be BaMg30NbO32" +mp-1228058,Ba3MgTaNbO9,-8.2655187793,-3.3430863833,0.0,-0.0001545867,GGA,P3m1,A3BCD9E_hP15_156_abc_a_b_3d_c:Ba-Mg-Nb-O-Ta,15.0,A3BCD9E_hP15_156_abc_a_b_3d_c:Ba-Mg-Nb-O-Ta +mp-2226883,Ba3MgNb2O8,-7.5596563407,-2.7644188664,0.3667692867,0.3667692867,GGA,R-3m,A3BC2D8_hR42_166_ac_b_c_ch:Ba-Mg-Nb-O,14.0,A3BC2D8_hR42_166_ac_b_c_ch:Ba-Mg-Nb-O +mp-6325,Ba3MgTa2O9,-8.4565705453,-3.4170399766,0.0,-0.0538461924,GGA,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Mg-O-Ta,15.0,"Invalid WP multiplicities - A3BC9D2_hP15_164_a2d_b_ei_d:Ba-Mg-O-Ta, expected Ba5MgTa2O9 to be Ba3MgTa2O9" +mp-1016552,BaMg6Nb,-2.3747934075,0.3279516275,0.3831897162,0.3831897162,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Nb, expected BaMg12Nb to be BaMg6Nb" +mp-1016650,BaMg6Nb,-2.4876129825,0.2151320525,0.2703701412,0.2703701412,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ba-Mg-Nb,8.0,AB6C_tP8_123_a_fk_c:Ba-Mg-Nb +mp-1026573,BaMg14Nb,-1.9855954156,0.1659171269,0.2052236457,0.2052236457,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Nb, expected BaMg18Nb to be BaMg14Nb" +mp-1026543,BaMg14Nb,-1.9877169419,0.1637956006,0.2031021194,0.2031021194,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Nb, expected BaMg26Nb to be BaMg14Nb" +mp-1034411,BaMg14NbO16,-6.2546361866,-2.7055355597,0.3056333839,0.3056333839,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ba-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ba-Mg-Nb-O, expected BaMg18NbO20 to be BaMg14NbO16" +mp-1034395,BaMg14NbO16,-6.2693759013,-2.7202752744,0.2908936692,0.2908936692,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ba-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ba-Mg-Nb-O, expected BaMg30NbO32 to be BaMg14NbO16" +mp-1218452,Sr5Fe4CoO10,-7.17555913,-2.2304212793,0.0806844184,0.0806844184,GGA+U,P4/mmm,AB4C10D5_tP20_123_b_2g_e2i_c2h:Co-Fe-O-Sr,20.0,"Invalid WP multiplicities - AB4C10D5_tP20_123_b_3g_2e6i_c4h:Co-Fe-O-Sr, expected Sr9Fe6CoO28 to be Sr5Fe4CoO10" +mp-1218706,Sr2La2FeCoO8,-7.7039857636,-2.8180679199,0.0262739272,0.0262739272,GGA+U,Amm2,ABC2D8E2_oC28_38_a_b_ab_2a2bf_ab:Co-Fe-La-O-Sr,14.0,ABC2D8E2_oC28_38_a_b_ab_2a2bf_ab:Co-Fe-La-O-Sr +mp-1223373,La2FeCoO6,-8.216140477,-2.7030919288,0.026607311,0.026607311,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Co-Fe-La-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_d_e_5e:Co-Fe-La-O, expected La2FeCoO10 to be La2FeCoO6" +mp-1308812,SrLa2(CoO3)3,-7.563961017,-2.4035170537,0.0033958313,0.0033958313,GGA+U,P-1,A3B2C9D_aP30_2_ab2i_2i_9i_i:Co-La-O-Sr,30.0,"Invalid WP multiplicities - A3B2C9D_aP30_2_ab2i_4i_15i_i:Co-La-O-Sr, expected SrLa4(CoO5)3 to be SrLa2(CoO3)3" +mp-1306042,SrLa2(CoO3)3,-7.525451892,-2.3650079287,0.0419049563,0.0419049563,GGA+U,Cm,A3B2C9D_mC30_8_3a_2a_3a3b_a:Co-La-O-Sr,15.0,A3B2C9D_aP15_1_3a_2a_9a_a:Co-La-O-Sr +mp-1299481,SrLa2(CoO3)3,-7.5420129463,-2.381568983,0.025343902,0.025343902,GGA+U,C2/m,A3B2C9D_mC60_12_ad2i_2i_ef3i2j_i:Co-La-O-Sr,30.0,A3B2C9D_hP15_164_bd_d_ei_a:Co-La-O-Sr +mp-1301679,SrLa2(CoO3)3,-7.5624845267,-2.4020405634,0.0048723216,0.0048723216,GGA+U,C2/c,A3B2C9D_mC60_15_af_f_e4f_e:Co-La-O-Sr,30.0,"Invalid WP multiplicities - A3B2C9D_mC60_15_2c2f_f_e11f_e:Co-La-O-Sr, expected SrLa2Co6O23 to be SrLa2(CoO3)3" +mp-1218251,SrLa2(CoO3)3,-7.5433050077,-2.3828610444,0.0240518406,0.0240518406,GGA+U,P-3m1,A3B2C9D_hP30_164_ab2d_2d_3i_c:Co-La-O-Sr,30.0,"Invalid WP multiplicities - A3B2C9D_mC60_12_ad3i_4i_5i9j_i:Co-La-O-Sr, expected SrLa4Co4O23 to be SrLa2(CoO3)3" +mp-1218784,Sr2La3Fe4CoO15,-7.8561549264,-2.5211252654000003,0.0371813582,0.0371813582,GGA+U,R3m,AB4C3D15E2_hR75_160_a_4a_3a_5b_2a:Co-Fe-La-O-Sr,25.0,"Invalid WP multiplicities - AB4C3D15E2_hR75_160_a_4a_3a_15b_2a:Co-Fe-La-O-Sr, expected Sr2La3Fe4CoO45 to be Sr2La3Fe4CoO15" +mp-1218340,Sr3La(CoO4)2,-7.117048075,-2.5602885932,0.0087335247,0.0087335247,GGA+U,Amm2,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Co-La-O-Sr,14.0,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Co-La-O-Sr +mp-1218808,Sr2La(FeO3)3,-7.646138448,-2.4297880451,0.004330482,0.004330482,GGA+U,P-3m1,A3BC9D2_hP15_164_bd_a_ei_d:Fe-La-O-Sr,15.0,"Invalid WP multiplicities - A3BC9D2_hP15_164_bd_a_3e4i_d:Fe-La-O-Sr, expected Sr2La(FeO11)3 to be Sr2La(FeO3)3" +mp-1218694,Sr3La2FeCo4O15,-7.2783189224,-2.2365542173,0.0594147491,0.0594147491,GGA+U,R3m,A4BC2D15E3_hR75_160_4a_a_2a_5b_3a:Co-Fe-La-O-Sr,25.0,"Invalid WP multiplicities - A4BC2D15E3_hR75_160_4a_a_2a_15b_3a:Co-Fe-La-O-Sr, expected Sr3La2FeCo4O45 to be Sr3La2FeCo4O15" +mp-1218682,Sr8Fe4Co4O23,-6.9995491718,-2.1379300947,0.0303829522,0.0303829522,GGA+U,I4/mmm,A4B4C23D8_tI78_139_de_f_achkm_ij:Co-Fe-O-Sr,39.0,A4B4C23D8_tI78_139_de_f_achkm_ij:Co-Fe-O-Sr +mp-1218605,SrLa2(FeO3)3,-8.0646591557,-2.6318745094,0.0120293443,0.0120293443,GGA+U,P2_1/c,A3B2C9D_mP60_14_ab2e_2e_9e_e:Fe-La-O-Sr,60.0,"Invalid WP multiplicities - A3B2C9D_mP60_14_2a2b4e_6e_33e_e:Fe-La-O-Sr, expected SrLa6(Fe2O11)3 to be SrLa2(FeO3)3" +mp-1080670,Sr2LaCoO6,-6.972419857,-2.4620754496,0.1696570429,0.1696570429,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-La-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Co-La-O-Sr +mp-1218176,SrLaFeO4,-7.8791167086,-2.8959343352,0.0241565108,0.0241565108,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Fe-La-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Fe-La-O-Sr, expected SrLaFeO6 to be SrLaFeO4" +mp-1218154,SrLaFeO4,-7.8867624714,-2.9035800981,0.0165107479,0.0165107479,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Fe-La-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Fe-La-O-Sr +mp-1276866,SrLaFeCoO6,-7.5784574235,-2.3900602404,0.039850538,0.039850538,GGA+U,I-4m2,ABCD6E_tI20_119_a_b_c_eg_d:Co-Fe-La-O-Sr,20.0,ABCD6E_tI20_119_a_b_c_eg_d:Co-Fe-La-O-Sr +mp-1280895,SrLaFeCoO6,-7.606954664,-2.4185574809,0.0113532975,0.0113532975,GGA+U,R3m,ABCD6E_hR60_160_2a_2a_2a_4b_2a:Co-Fe-La-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_hR60_160_2a_2a_2a_11b_2a:Co-Fe-La-O-Sr, expected Sr2La2Fe2Co2O33 to be SrLaFeCoO6" +mp-1218163,SrLaFeCoO6,-7.594592838,-2.4061956549,0.0237151235,0.0237151235,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Co-Fe-La-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_oC40_21_ac_bd_k_2e2f2g2h2i2j_k:Co-Fe-La-O-Sr, expected SrLaFeCoO12 to be SrLaFeCoO6" +mp-1218224,SrLa(CoO3)2,-7.252051919,-2.1998250774,0.1071203719,0.1071203719,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Co-La-O-Sr,10.0,A2BC6D_cF40_225_c_a_d_b:Co-La-O-Sr +mp-1218816,Sr2La3FeCo4O15,-7.561950646,-2.3903253948,0.0259688007,0.0259688007,GGA+U,R3m,A4BC3D15E2_hR75_160_4a_a_3a_5b_2a:Co-Fe-La-O-Sr,25.0,"Invalid WP multiplicities - A4BC3D15E2_hR75_160_4a_a_3a_15b_2a:Co-Fe-La-O-Sr, expected Sr2La3FeCo4O45 to be Sr2La3FeCo4O15" +mp-1279034,SrLa(FeO3)2,-7.856224266,-2.5316567414,0.007354449,0.007354449,GGA+U,C2,A2BC6D_mC20_5_c_a_ab2c_b:Fe-La-O-Sr,20.0,"Invalid WP multiplicities - A2BC6D_aP10_1_4a_a_6a_a:Fe-La-O-Sr, expected SrLa(Fe2O3)2 to be SrLa(FeO3)2" +mp-1218237,SrLa(FeO3)2,-7.858337893,-2.5337703684,0.005240822,0.005240822,GGA+U,R32,A2BC6D_hR30_155_c_a_de_b:Fe-La-O-Sr,10.0,A2BC6D_hR30_155_c_a_de_b:Fe-La-O-Sr +mp-1217886,SrLa2Fe2O7,-8.0946635442,-2.8339659557,0.0584575296,0.0584575296,GGA+U,I4mm,A2B2C7D_tI24_107_2a_2a_3a2b_a:Fe-La-O-Sr,12.0,A2B2C7D_tI24_107_2a_2a_3a2b_a:Fe-La-O-Sr +mp-1076165,Sr8Fe7CoO20,-6.580111029,-1.6121058035,0.7328963366,0.7328963366,GGA+U,P1,AB7C20D8_aP144_1_4a_28a_80a_32a:Co-Fe-O-Sr,144.0,AB7C20D8_aP144_1_4a_28a_80a_32a:Co-Fe-O-Sr +mp-1218604,Sr3La2Fe4CoO15,-7.6234101296,-2.4182410146,0.014194413,0.014194413,GGA+U,R-3m,AB4C2D15E3_hR75_166_a_2c_c_d2h_bc:Co-Fe-La-O-Sr,25.0,AB4C2D15E3_hR75_166_a_2c_c_d2h_bc:Co-Fe-La-O-Sr +mp-1283089,SrLaCoO4,-7.5458373557,-2.7571840417,0.0114088064,0.0058840604,GGA+U,P1,ABC4D_aP28_1_4a_4a_16a_4a:Co-La-O-Sr,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Co-La-O-Sr +mp-1277762,SrLaCoO4,-7.5289737879,-2.7403204738,0.0282723743,0.0227476283,GGA+U,Cm,ABC4D_mC28_8_2a_2a_8a_2a:Co-La-O-Sr,14.0,ABC4D_tI14_107_a_a_2ab_a:Co-La-O-Sr +mp-1276828,SrLaCoO4,-7.5434270936,-2.7547737795,0.0138190686,0.0082943226,GGA+U,Cm,ABC4D_mC28_8_2a_2a_8a_2a:Co-La-O-Sr,28.0,"Invalid WP multiplicities - ABC4D_mC28_8_3a_4a_16a_4a:Co-La-O-Sr, expected Sr4La4Co3O16 to be SrLaCoO4" +mp-1284822,SrLaCoO4,-7.5551357,-2.766482386,0.0021104621,-0.0034142838,GGA+U,C222_1,ABC4D_oC28_20_a_a_2ac_a:Co-La-O-Sr,14.0,ABC4D_oC28_20_a_a_2ac_a:Co-La-O-Sr +mp-1275338,SrLaCoO4,-7.5280932657,-2.7394399517,0.0291528964,0.0236281504,GGA+U,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Co-La-O-Sr,28.0,ABC4D_mP28_6_2a2b_2a2b_8a8b_2a2b:Co-La-O-Sr +mp-1274449,SrLaCoO4,-7.5572461621,-2.7685928481,0.0,-0.005524746,GGA+U,Aea2,ABC4D_oC28_41_a_a_2ab_a:Co-La-O-Sr,14.0,ABC4D_oC28_41_a_a_2ab_a:Co-La-O-Sr +mp-1279682,SrLaCoO4,-7.5309921564,-2.7423388424,0.0262540057,0.0207292597,GGA+U,Aea2,ABC4D_oC28_41_a_a_2ab_a:Co-La-O-Sr,28.0,ABC4D_oC28_41_a_a_2ab_a:Co-La-O-Sr +mp-1273504,SrLaCoO4,-7.5549378811,-2.766284567,0.0023082811,-0.0032164649,GGA+U,Pbcn,ABC4D_oP28_60_c_c_2cd_c:Co-La-O-Sr,28.0,ABC4D_oP28_60_c_c_2cd_c:Co-La-O-Sr +mp-1218191,SrLaCoO4,-7.5334061871,-2.7447528731,0.023839975,0.018315229,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Co-La-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Co-La-O-Sr, expected SrLaCoO6 to be SrLaCoO4" +mp-1218161,SrLaCoO4,-7.54048428,-2.751830966,0.0167618821,0.0112371362,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Co-La-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Co-La-O-Sr +mp-1274114,SrLaCoO4,-7.5572350921,-2.7685817781,1.107e-05,-0.005513676,GGA+U,I4_1cd,ABC4D_tI56_110_a_a_2ab_a:Co-La-O-Sr,28.0,ABC4D_tI56_110_a_a_2ab_a:Co-La-O-Sr +mp-1223109,La4Fe(CoO4)3,-8.097745448,-2.6527820705,0.014922199,0.014922199,GGA+U,P-1,A3BC4D12_aP20_2_abe_h_2i_6i:Co-Fe-La-O,20.0,"Invalid WP multiplicities - A3BC4D12_aP20_2_abe_h_4i_12i:Co-Fe-La-O, expected La8Fe(CoO8)3 to be La4Fe(CoO4)3" +mp-1295166,Sr2FeCoO6,-6.9525939375,-2.0888481196,0.026384669,0.026384669,GGA+U,Cm,ABC6D2_mC40_8_2a_2a_4a4b_4a:Co-Fe-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_mC40_8_2a_2a_4a8b_4a:Co-Fe-O-Sr, expected Sr2FeCoO10 to be Sr2FeCoO6" +mp-1218833,Sr2FeCoO6,-6.940617861,-2.0768720431,0.0383607455,0.0383607455,GGA+U,P4/mmm,ABC6D2_tP10_123_a_c_bdj_e:Co-Fe-O-Sr,10.0,ABC6D2_tP10_123_a_c_bdj_e:Co-Fe-O-Sr +mp-1218834,Sr2FeCoO6,-6.941502428,-2.0777566101,0.0374761785,0.0374761785,GGA+U,P4/mmm,ABC6D2_tP10_123_a_b_efg_h:Co-Fe-O-Sr,10.0,"Invalid WP multiplicities - ABC6D2_tP10_123_a_b_2e2fg_h:Co-Fe-O-Sr, expected Sr2FeCoO10 to be Sr2FeCoO6" +mp-1276442,Sr2FeCoO6,-6.9563739595000005,-2.0926281416,0.022604647,0.022604647,GGA+U,P4/mmm,ABC6D2_tP20_123_ad_bc_ghjk_i:Co-Fe-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_tP20_123_ad_bc_2g2h4j4k_i:Co-Fe-O-Sr, expected Sr2FeCoO20 to be Sr2FeCoO6" +mp-1094054,Sr2FeCoO6,-6.958838957,-2.0950931391,0.0201396495,0.0201396495,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Fe-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Co-Fe-O-Sr +mp-1218687,Sr4La(CoO3)5,-6.9559109084,-2.0984748859,0.0279827197,0.0279827197,GGA+U,C2/m,A5BC15D4_mC50_12_c2i_a_bf2i2j_2i:Co-La-O-Sr,25.0,"Invalid WP multiplicities - A5BC15D4_mC50_12_c3i_b_a2e4i6j_3i:Co-La-O-Sr, expected Sr6LaCo7O37 to be Sr4La(CoO3)5" +mp-1077660,Sr8Fe7CoO24,-7.148415034,-2.18254146,0.0145166376,0.0145166376,GGA+U,Pm-3m,AB7C24D8_cP40_221_a_bcd_efh_g:Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB7C24D8_cP40_221_a_b2c2d_5e5f7h_g:Co-Fe-O-Sr, expected Sr8Fe13CoO144 to be Sr8Fe7CoO24" +mp-1218676,Sr4LaFe2(CoO5)3,-7.1746332468,-2.2082609511,0.011022951,0.011022951,GGA+U,P-1,A3B2CD15E4_aP25_2_ai_i_c_bef6i_2i:Co-Fe-La-O-Sr,25.0,"Invalid WP multiplicities - A3B2CD15E4_aP25_2_a2i_i_c_bef9i_3i:Co-Fe-La-O-Sr, expected Sr6LaFe2Co5O21 to be Sr4LaFe2(CoO5)3" +mp-1236244,LiEu2CoO4,-8.660718725,-2.4959688367,0.0588684616,0.0588684616,GGA+U,Pmm2,AB2CD4_oP8_25_a_ad_d_abcd:Co-Eu-Li-O,8.0,AB2CD4_mP8_6_a_ab_b_2a2b:Co-Eu-Li-O +mp-1235194,LiEu2CoO4,-8.3690216975,-2.2042718092,0.3505654891,0.3505654891,GGA+U,I-4m2,AB2CD4_tI16_119_a_e_c_ef:Co-Eu-Li-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_e_c_2ef:Co-Eu-Li-O, expected LiEu2CoO6 to be LiEu2CoO4" +mp-1235221,LiEu2CoO4,-8.4101988262,-2.2454489379,0.3093883604,0.3093883604,GGA+U,I4/mmm,AB2CD4_tI16_139_a_e_b_ce:Co-Eu-Li-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_139_a_e_b_c2e:Co-Eu-Li-O, expected LiEu2CoO6 to be LiEu2CoO4" +mp-1218310,SrEu(CoO3)2,-7.642877141,-2.0585508299,0.0759606195,0.0759606195,GGA+U,P4/mmm,A2BC6D_tP10_123_g_c_abi_d:Co-Eu-O-Sr,10.0,"Invalid WP multiplicities - A2BC6D_tP10_123_g_c_ab2i_d:Co-Eu-O-Sr, expected SrEu(CoO5)2 to be SrEu(CoO3)2" +mp-1517211,SrEu(CoO3)2,-7.2027075508,-1.6183812397,0.5161302097,0.5161302097,GGA+U,Pm-3m,A2BC6D_cP40_221_g_ad_ij_bc:Co-Eu-O-Sr,40.0,"Invalid WP multiplicities - A2BC6D_cP40_221_g_a2d_6i6j_b2c:Co-Eu-O-Sr, expected Sr7Eu7(CoO18)8 to be SrEu(CoO3)2" +mp-1517297,SrEu(CoO3)4,-6.5533474217,-1.0122345901,0.5459969295,0.5459969295,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Eu-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Eu-O-Sr, expected SrEu(CoO4)4 to be SrEu(CoO3)4" +mp-1236266,SrLiEu(CoO3)2,-7.4219653836,-2.1717666584,0.0670896427,0.0670896427,GGA+U,Cm,A2BCD6E_mC22_8_2a_a_a_6a_a:Co-Eu-Li-O-Sr,11.0,A2BCD6E_mC22_8_2a_a_a_6a_a:Co-Eu-Li-O-Sr +mp-1235444,SrLiEu(CoO3)2,-7.0956686273,-1.845469902,0.393386399,0.393386399,GGA+U,Pmmm,A2BCD6E_oP11_47_j_e_a_cdil_f:Co-Eu-Li-O-Sr,11.0,A2BCD6E_oP11_47_j_e_a_cdil_f:Co-Eu-Li-O-Sr +mp-1236462,SrLiEu(CoO3)2,-7.11777424,-1.8675755148,0.3712807863,0.3712807863,GGA+U,Pmmm,A2BCD6E_oP11_47_j_f_a_cdil_e:Co-Eu-Li-O-Sr,11.0,A2BCD6E_oP11_47_j_f_a_cdil_e:Co-Eu-Li-O-Sr +mp-1218291,SrEuCoO4,-8.03118879,-2.4823933767,0.0343404399,0.0343404399,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Co-Eu-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Co-Eu-O-Sr +mp-1046815,BaTl(CoO3)2,-5.9440292915,-1.1261906971,0.4857553327,0.4857553327,GGA+U,I-4m2,AB2C6D_tI40_119_e_2e_2e4f_e:Ba-Co-O-Tl,20.0,"Invalid WP multiplicities - AB2C6D_tI40_119_e_3e_4e7f_e:Ba-Co-O-Tl, expected BaTlCo3O11 to be BaTl(CoO3)2" +mp-1095859,Ba2AlTl,-1.130348795,1.3561934192,1.6026225818,1.6026225818,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ba-Tl,4.0,AB2C_oI8_71_a_e_b:Al-Ba-Tl +mp-1046501,Ba2Tl2Co3O10,-6.0400517812,-1.3721060947,0.3120178231,0.3120178231,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Co-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Co-O-Tl +mp-1048180,Ba2AlCo3O8,-6.8133021793,-1.9217315518,0.3160135852,0.3160135852,GGA+U,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Co-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Co-O, expected Ba2AlCo5O16 to be Ba2AlCo3O8" +mp-1046346,Ba2TlCo2O7,-6.2048953842,-1.6178912512,0.2614026335,0.2614026335,GGA+U,Pmm2,A2B2C7D_oP12_25_2d_2a_2a2b2cd_a:Ba-Co-O-Tl,12.0,A2B2C7D_oP12_25_2d_2a_2a2b2cd_a:Ba-Co-O-Tl +mp-1048382,BaAlCo4O7,-7.1953336615,-1.908822667,0.1065844925,0.1065844925,GGA+U,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Co-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Co-O +mp-1046381,Ba2AlTlCo2O7,-6.6030689838,-2.080790105,0.1634486109,0.1634486109,GGA+U,P1,AB2C2D7E_aP13_1_a_2a_2a_7a_a:Al-Ba-Co-O-Tl,13.0,AB2C2D7E_aP13_1_a_2a_2a_7a_a:Al-Ba-Co-O-Tl +mp-1266279,Ba2AlTlCo2O7,-6.5513309077,-2.0290520288,0.2151866871,0.2151866871,GGA+U,P2,AB2C2D7E_mP13_3_b_e_e_a3e_c:Al-Ba-Co-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_mP13_3_c_e_e_b5e_a:Al-Ba-Co-O-Tl, expected Ba2AlTlCo2O11 to be Ba2AlTlCo2O7" +mp-861268,LiLaNb2O7,-8.7895382309,-3.1827781372,0.0766519877,0.0766519877,GGA,I-4m2,ABC2D7_tI22_119_a_c_e_be2f:La-Li-Nb-O,11.0,"Invalid WP multiplicities - ABC2D7_tI22_119_a_c_e_b2e4f:La-Li-Nb-O, expected LiLaNb2O13 to be LiLaNb2O7" +mp-1210870,Li2LaNb6O18,-8.8271769407,-2.9604332415,0.0865974623,0.0865974623,GGA,Pmmm,AB2C6D18_oP27_47_d_j_my_aeiknoyz:La-Li-Nb-O,27.0,AB2C6D18_oP27_47_d_j_my_aeiknoyz:La-Li-Nb-O +mp-1222363,LiLa4AlO8,-8.2352994343,-3.5944396624,0.0543561404,0.0543561404,GGA,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Al-La-Li-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_g2h_c_g2hn:Al-La-Li-O, expected LiLa6AlO10 to be LiLa4AlO8" +mp-778808,Li6La3Nb2O12,-7.5800662143,-2.9790039043,0.0765082921,0.0765082921,GGA,I2_13,A3B6C2D12_cI184_199_2b_2c_2a_4c:La-Li-Nb-O,92.0,"Invalid WP multiplicities - A3B6C2D12_cI184_199_7b_16c_6a_34c:La-Li-Nb-O, expected Li32La7Nb4O68 to be Li6La3Nb2O12" +mp-1222446,LiLa2Nb8O24,-9.1251135183,-3.0876304764,0.0652614338,0.0652614338,GGA,Cmmm,A2BC8D24_oC70_65_ac_b_r_m2nopq:La-Li-Nb-O,35.0,"Invalid WP multiplicities - A2BC8D24_oC70_65_ac_b_r_m7no2p2q:La-Li-Nb-O, expected LiLa2Nb8O52 to be LiLa2Nb8O24" +mp-973874,LiLa2Al,-4.0683288675,-0.1867006408,0.0190528298,0.0190528298,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-La-Li,4.0,AB2C_cF16_225_a_c_b:Al-La-Li +mp-1093897,Li2LaAl,-1.208978,1.9158791671,2.1216326377,2.1216326377,GGA,Immm,ABC2_oI8_71_a_b_e:Al-La-Li,4.0,ABC2_oI8_71_a_b_e:Al-La-Li +mp-768083,Li5La3Nb14O42,-8.8813903491,-3.0449554728,0.0861912362,0.0861912362,GGA,C2/m,A3B5C14D42_mC128_12_ai_d2i_7i_bc6i7j:La-Li-Nb-O,64.0,"Invalid WP multiplicities - A3B5C14D42_mC128_12_a2i_c2i_13i_bd12i22j:La-Li-Nb-O, expected Li5La5Nb26O114 to be Li5La3Nb14O42" +mp-761986,Li5La3Nb2O12,-7.8190508115,-3.0956185268,0.0528940513,0.0528940513,GGA,P1,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O,88.0,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O +mp-779434,Li5La3Nb2O12,-7.8144003008,-3.0909680161,0.057544562,0.057544562,GGA,P1,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O,88.0,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O +mp-774437,Li5La3Nb2O12,-7.816392234,-3.0929599493,0.0555526288,0.0555526288,GGA,P1,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O,88.0,A3B5C2D12_aP88_1_12a_20a_8a_48a:La-Li-Nb-O +mp-554747,Li5La3Nb2O12,-7.5726528248,-2.8492205401,0.299292038,0.299292038,GGA,Ia-3d,A3B5C2D12_cI176_230_c_bd_a_h:La-Li-Nb-O,88.0,"Invalid WP multiplicities - A3B5C2D12_cI176_230_c_8b9d_a_h:La-Li-Nb-O, expected Li43La3Nb2O12 to be Li5La3Nb2O12" +mp-774721,Li5La3Nb2O12,-7.8170743142,-3.0936420295,0.0548705486,0.0548705486,GGA,Cc,A3B5C2D12_mC176_9_6a_10a_4a_24a:La-Li-Nb-O,88.0,"Invalid WP multiplicities - A3B5C2D12_mC176_9_8a_18a_6a_37a:La-Li-Nb-O, expected Li18La8Nb6O37 to be Li5La3Nb2O12" +mp-761971,LiLaNb4O12,-9.0176727378,-3.094871923,0.07902769,0.07902769,GGA,Cm,ABC4D12_mC108_8_3a_3a_6b_12a12b:La-Li-Nb-O,54.0,"Invalid WP multiplicities - ABC4D12_mC108_8_3a_3a_11b_12a24b:La-Li-Nb-O, expected Li3La3Nb22O60 to be LiLaNb4O12" +mp-775122,LiLaNb4O12,-9.0281467178,-3.105345903,0.06855371,0.06855371,GGA,P4/mmm,ABC4D12_tP18_123_a_c_i_efr:La-Li-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_c_i_e2f2r:La-Li-Nb-O, expected LiLaNb4O22 to be LiLaNb4O12" +mp-1222364,LiLaNb4O12,-9.0282375478,-3.105436733,0.06846288,0.06846288,GGA,I4/mmm,ABC4D12_tI36_139_a_b_g_cdm:La-Li-Nb-O,18.0,ABC4D12_tI36_139_a_b_g_cdm:La-Li-Nb-O +mp-762374,Li4La3Nb12O36,-8.9263632724,-3.0765420566,0.0813302698,0.0813302698,GGA,C2/m,A3B4C12D36_mC110_12_ai_bci_3j_ef6i5j:La-Li-Nb-O,55.0,"Invalid WP multiplicities - A3B4C12D36_mC110_12_bi_ac2i_7j_2ef12i14j:La-Li-Nb-O, expected Li6La3Nb28O86 to be Li4La3Nb12O36" +mp-1220529,Nd2Ti12(CuO4)9,-8.1282422108,-2.7171260634000003,0.0489085164,0.0489085164,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Nd-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f4g_d_32g_ad3e3g:Cu-Nd-O-Ti, expected Nd2Ti30(Cu11O64)3 to be Nd2Ti12(CuO4)9" +mp-1220432,Nd2TiCuO6,-8.267017804,-3.1459052221,0.0707588935,0.0707588935,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-Nd-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Cu-Nd-O-Ti, expected Nd2TiCuO10 to be Nd2TiCuO6" +mp-557307,Nd5Ti4FeO17,-9.0345424282,-3.5535633716,0.0065777098,0.0065777098,GGA+U,P2_1/c,AB5C17D4_mP108_14_ab_5e_17e_4e:Fe-Nd-O-Ti,108.0,"Invalid WP multiplicities - AB5C17D4_mP108_14_2a2b_15e_65e_11e:Fe-Nd-O-Ti, expected Nd15Ti11Fe2O65 to be Nd5Ti4FeO17" +mp-39888,NdTi3Fe(CuO4)3,-7.9589740055,-2.5298475436,0.0459018267,0.0459018267,GGA+U,R-3,A3BCD12E3_hR60_148_d_a_b_2f_e:Cu-Fe-Nd-O-Ti,20.0,"Invalid WP multiplicities - A3BCD12E3_hR60_148_d_a_b_7f_e:Cu-Fe-Nd-O-Ti, expected NdTi3Fe(CuO14)3 to be NdTi3Fe(CuO4)3" +mp-18147,LiGaSiO4,-7.0937134083,-2.7867002992,0.0,-0.0263945901,GGA,R3,ABC4D_hR126_146_2b_2b_8b_2b:Ga-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_2b_3b_10b_2b:Ga-Li-O-Si, expected Li3Ga2(SiO5)2 to be LiGaSiO4" +mp-1222654,Li2GaSi,-3.1559047825,-0.088089836,0.1621172236,0.1621172236,GGA,F-43m,AB2C_cF16_216_a_bc_d:Ga-Li-Si,4.0,AB2C_cF16_216_a_bc_d:Ga-Li-Si +mp-28341,LiGaCl4,-3.8387567683,-1.7835625135000002,0.0,-0.0260033683,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Cl-Ga-Li,24.0,A4BC_mP24_14_4e_e_e:Cl-Ga-Li +mp-6241,LiGa(SiO3)2,-7.436904816,-2.8901260943,0.0409737418,0.0409737418,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Ga-Li-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_11e_3e:Ga-Li-O-Si, expected LiGaSi3O11 to be LiGa(SiO3)2" +mp-6745,LiGa(SiO3)2,-7.4364167745,-2.8896380528,0.0414617833,0.0414617833,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ga-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_5f_f:Ga-Li-O-Si, expected LiGa(SiO5)2 to be LiGa(SiO3)2" +mp-11390,LiGaSi,-3.5896520267,-0.1355397203,0.074605105,0.074605105,GGA,F-43m,ABC_cF12_216_c_a_b:Ga-Li-Si,3.0,ABC_cF12_216_c_a_b:Ga-Li-Si +mp-16996,Li3GaSiO5,-6.5802997467,-2.6889371259,0.0,-0.0070141165,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Ga-Li-O-Si,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_3a_8a_a:Ga-Li-O-Si, expected Li3GaSiO8 to be Li3GaSiO5" +mp-29344,LiGaCl3,-3.8109465512,-1.7144207774,0.0,-0.001605701,GGA,Pnma,A3BC_oP40_62_2c2d_2c_d:Cl-Ga-Li,40.0,A3BC_oP40_62_2c2d_2c_d:Cl-Ga-Li +mp-554203,Li4Ga3Si3ClO12,-6.831817705,-2.7359596694,0.0,-0.0057616324,GGA,P-43n,AB3C4D12E3_cP46_218_a_c_e_i_d:Cl-Ga-Li-O-Si,46.0,AB3C4D12E3_cP46_218_a_c_e_i_d:Cl-Ga-Li-O-Si +mp-1521426,Sr2TbNiO6,-6.796278478,-2.4489162826,0.1026785708,0.1026785708,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-Tb +mp-1517629,SrTbEuNiO6,-7.726733958,-2.5226209279000003,0.1753935069,0.1753935069,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sr-Tb +mp-1218566,SrEu3(NiO4)2,-8.4335688293,-2.4625486933,0.0561937855,0.0561937855,GGA+U,Amm2,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:Eu-Ni-O-Sr,14.0,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:Eu-Ni-O-Sr +mp-1218298,SrEuNiO4,-7.7349788864,-2.3759236324,0.0382334312,0.0382334312,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Eu-Ni-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Eu-Ni-O-Sr, expected SrEuNiO6 to be SrEuNiO4" +mp-1218281,SrEuNiO4,-7.7399822629,-2.3809270088,0.0332300547,0.0332300547,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Eu-Ni-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Eu-Ni-O-Sr +mp-1218739,Sr2NbGaO6,-7.673891677,-3.0550396533,0.0143334454,0.0143334454,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Sr +mp-1220366,Nb6GaSi,-8.871862275,-0.2392067384,0.0918301699,0.0918301699,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ga-Nb-Si,8.0,AB6C_cP8_200_a_f_b:Ga-Nb-Si +mp-1192427,Sr3NbGa3(SiO7)2,-7.4540229843,-2.9167033546,0.1292517348,0.1188270611,GGA,C2,A3BC14D2E3_mC46_5_bc_a_7c_c_ac:Ga-Nb-O-Si-Sr,23.0,"Invalid WP multiplicities - A3BC14D2E3_mC46_5_bc_a_13c_c_ac:Ga-Nb-O-Si-Sr, expected Sr3NbGa3(SiO13)2 to be Sr3NbGa3(SiO7)2" +mp-1208777,Sr3NbGa3(SiO7)2,-7.5832747191,-3.0459550893,0.0,-0.0104246737,GGA,P321,A3BC14D2E3_hP23_150_f_a_d2g_d_e:Ga-Nb-O-Si-Sr,23.0,A3BC14D2E3_hP23_150_f_a_d2g_d_e:Ga-Nb-O-Si-Sr +mp-14235,SrGa2(SiO4)2,-7.4631538562,-2.9885514524000003,0.0,-0.0373375773,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Ga-O-Si-Sr,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Ga-O-Si-Sr +mp-6198,SrGa2(SiO4)2,-7.4474241233,-2.9728217196,0.0157297329,-0.0216078444,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_f:Ga-O-Si-Sr,52.0,A2B8C2D_mC104_15_2f_8f_2f_f:Ga-O-Si-Sr +mp-1345328,Sr2TaCu2O7,-7.0172118225,-2.1787119179,0.3128939048,0.3128939048,GGA,Ima2,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Ta,24.0,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Ta +mp-1209256,Sr2GdTa(CuO4)2,-8.2785174086,-2.7724595652,0.0438669561,0.0438669561,GGA,P4/mmm,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Gd-O-Sr-Ta,14.0,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Gd-O-Sr-Ta +mp-1209102,Sr2GdTaO6,-9.4647865985,-3.5654846941,0.0,-0.020625455,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Gd-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Gd-O-Sr-Ta +mp-1519064,SrCa(NiO3)4,-5.6640333622,-0.8764831073,0.4094402765,0.4094402765,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Ni-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Ni-O-Sr, expected SrCa(NiO4)4 to be SrCa(NiO3)4" +mp-1197440,SrZnRu5O11,-7.3890847591,-1.6260388931,0.0326964519,0.0326964519,GGA,P6_3/m,A11B5CD_hP144_176_f4h5i_e3i_ch_dh:O-Ru-Sr-Zn,144.0,A11B5CD_hP144_176_f4h5i_e3i_ch_dh:O-Ru-Sr-Zn +mp-861506,Pr2ZnRu,-5.2164999825,-0.1925105675,0.0467446819,0.0467446819,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Pr-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Pr-Ru-Zn +mp-1218524,Sr6Zn(RuO6)2,-6.7585765362,-2.505920634,0.0023237055,0.0023237055,GGA,C2/m,A12B2C6D_mC42_12_e3ij_i_3i_a:O-Ru-Sr-Zn,21.0,"Invalid WP multiplicities - A12B2C6D_mC42_12_2f6i2j_i_6i_a:O-Ru-Sr-Zn, expected Sr12Zn(RuO12)2 to be Sr6Zn(RuO6)2" +mp-1218068,SrPrZnRuO6,-7.1540499255,-2.4855821629,0.0,-0.0005941248,GGA,Pc,A6BCDE_mP20_7_6a_a_a_a_a:O-Pr-Ru-Sr-Zn,20.0,A6BCDE_mP20_7_6a_a_a_a_a:O-Pr-Ru-Sr-Zn +mp-1214712,Ba2ErCuNi2O7,-6.7312574654,-2.2164905655,0.0462367723,0.0462367723,GGA+U,Pmmm,A2BCD2E7_oP13_47_k_c_f_j_aijl:Ba-Cu-Er-Ni-O,13.0,A2BCD2E7_oP13_47_k_c_f_j_aijl:Ba-Cu-Er-Ni-O +mp-1225545,ErCuNi,-5.1485878317000005,-0.332900445,0.0488419625,0.0488419625,GGA,Imma,ABC_oI12_74_a_e_c:Cu-Er-Ni,6.0,ABC_oI12_74_a_e_c:Cu-Er-Ni +mp-1225072,Er2CuNi,-5.14286827,-0.3891730275,0.0,-0.0114065756,GGA,Amm2,AB2C_oC8_38_a_ab_b:Cu-Er-Ni,4.0,AB2C_oC8_38_a_ab_b:Cu-Er-Ni +mp-1229149,Ba10Er5Cu15O34,-6.450102257,-2.2047294495,0.0305474133,0.0305474133,GGA,P-1,A10B15C5D34_aP64_2_5i_b7i_d2i_17i:Ba-Cu-Er-O,64.0,"Invalid WP multiplicities - A10B15C5D34_aP64_2_10i_b13i_d3i_33i:Ba-Cu-Er-O, expected Ba20Er7(Cu9O22)3 to be Ba10Er5Cu15O34" +mp-1229210,Ba10Er5Cu15O34,-6.450452757,-2.2050799495,0.0301969133,0.0301969133,GGA,P-1,A10B15C5D34_aP64_2_5i_b7i_c2i_17i:Ba-Cu-Er-O,64.0,"Invalid WP multiplicities - A10B15C5D34_aP64_2_9i_b13i_c4i_33i:Ba-Cu-Er-O, expected Ba6Er3Cu9O22 to be Ba10Er5Cu15O34" +mp-19101,BaEr2NiO5,-7.7657199856,-3.1470541193,0.0192982721,0.0192982721,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Er-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Er-Ni-O +mp-1214489,Ba5Er8Ni4O21,-7.7078095313,-3.151555983,0.0,-0.0087142808,GGA+U,I4/m,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Er-Ni-O,38.0,A5B8C4D21_tI76_87_ah_2h_h_bh2i:Ba-Er-Ni-O +mp-505808,BaEr2CuO5,-7.5410866658,-3.1091908007,0.0307747836,0.0307747836,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Er-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Er-O +mp-6583,Ba2Er(CuO2)4,-6.3560971273,-2.0643634567,0.0,-0.0106504305,GGA,Cmmm,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Er-O,15.0,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Er-O +mp-622110,Ba2ErCu3O7,-6.45010688,-2.193944597,0.0334336014,0.0334336014,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Er-O,13.0,"Invalid WP multiplicities - A2B3CD7_oP13_47_k_cj_f_ai2j2l:Ba-Cu-Er-O, expected Ba2ErCu3O11 to be Ba2ErCu3O7" +mp-1980701,HfCrO4,-9.5446271038,-2.9784618796,0.0561422675,0.0561422675,GGA+U,P2_1/c,ABC4_mP24_14_e_e_4e:Cr-Hf-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_11e:Cr-Hf-O, expected HfCrO11 to be HfCrO4" +mp-781615,HfCrO4,-9.5400208321,-2.9738556079,0.0607485392,0.0607485392,GGA+U,Pbcn,ABC4_oP24_60_c_c_2d:Cr-Hf-O,24.0,"Invalid WP multiplicities - ABC4_oP24_60_c_c_5d:Cr-Hf-O, expected HfCrO10 to be HfCrO4" +mp-756322,HfCrO3,-9.9942832415,-3.1042227148,0.0972898757,0.0972898757,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Cr-Hf-O,20.0,ABC3_oP20_62_a_c_cd:Cr-Hf-O +mp-1520501,CaEuHf4O12,-9.4589041433,-3.2671473469,0.2595591257,0.2595591257,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Eu-Hf-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Eu-Hf-O, expected CaEuHf4O18 to be CaEuHf4O12" +mp-1069296,Eu3InO,-9.167340546,-1.4734649777,0.0,-0.0078450615,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Eu-In-O,5.0,A3BC_cP5_221_c_a_b:Eu-In-O +mp-1221007,Nb12InSn3,-8.6109789238,-0.1112251878,0.0116713619,0.0116713619,GGA,Pmmm,AB12C3_oP16_47_a_2knpw_bl:In-Nb-Sn,16.0,"Invalid WP multiplicities - AB12C3_oP16_47_a_4k2n2p2w_bl:In-Nb-Sn, expected Nb24InSn3 to be Nb12InSn3" +mp-1518500,Eu2NbSnO6,-9.190885367,-2.7603840908,0.2036061458,0.2036061458,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Sn +mp-1212795,EuInO3,-8.079665279,-2.5099149462,0.0815836749,0.0815836749,GGA,Pnma,ABC3_oP20_62_c_a_cd:Eu-In-O,20.0,ABC3_oP20_62_c_a_cd:Eu-In-O +mp-1212980,EuInO3,-8.1493065,-2.5795561673,0.0119424539,0.0119424539,GGA,P6_3cm,ABC3_hP30_185_ab_c_ab2c:Eu-In-O,30.0,ABC3_hP30_185_ab_c_ab2c:Eu-In-O +mp-1184304,EuInO3,-7.791177356,-2.2214270232,0.3700715979,0.3700715979,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-In-O,5.0,ABC3_cP5_221_a_b_c:Eu-In-O +mp-1519602,EuNbInSnO6,-8.096832072,-2.4168626027,0.188462891,0.188462891,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-In-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-In-Nb-O-Sn +mp-1516804,Eu2NbInO6,-9.196088931,-2.8913764673,0.0865067121,0.0865067121,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-In-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-In-Nb-O +mp-1517598,SrEuCuBiO6,-6.957256153,-2.0006238209,0.172295366,0.172295366,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Cu-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Cu-Eu-O-Sr +mp-30451,SrCuBi,-3.7438216767,-0.5340919256000001,0.0347684483,0.0347684483,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Bi-Cu-Sr,6.0,ABC_hP6_194_c_d_a:Bi-Cu-Sr +mp-988320,Sr10Cu5Bi10O29,-5.6981931456,-1.6380110751,0.4752622575,0.4752622575,GGA,P1,A10B5C29D10_aP108_1_20a_10a_58a_20a:Bi-Cu-O-Sr,108.0,A10B5C29D10_aP108_1_20a_10a_58a_20a:Bi-Cu-O-Sr +mp-667638,Sr10Cu5Bi10O29,-6.0991203506,-2.03893828,0.0743350526,0.0743350526,GGA,P1,A10B5C29D10_aP108_1_20a_10a_58a_20a:Bi-Cu-O-Sr,108.0,A10B5C29D10_aP108_1_20a_10a_58a_20a:Bi-Cu-O-Sr +mp-652781,Sr10Cu5Bi10O29,-6.0986464273,-2.0384643568,0.0748089758,0.0748089758,GGA,C2,A10B5C29D10_mC216_5_10c_5c_29c_10c:Bi-Cu-O-Sr,108.0,"Invalid WP multiplicities - A10B5C29D10_mC216_5_20c_8c_55c_19c:Bi-Cu-O-Sr, expected Sr19Cu8(Bi4O11)5 to be Sr10Cu5Bi10O29" +mp-635456,EuCuBi,-6.5954526617,-0.529886795,0.0397212053,0.0397212053,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Bi-Cu-Eu,6.0,ABC_hP6_194_c_d_a:Bi-Cu-Eu +mp-1208972,Sr2EuCu2(BiO4)2,-6.6696885807,-2.0637625809,0.0946106257,0.0946106257,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Eu-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Eu-O-Sr +mp-1208871,Sr2EuBiO6,-7.3502515215,-2.6345905111,0.0,-0.0317697321,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Eu-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Eu-O-Sr +mp-1518150,Sr2EuBiO6,-7.3106514378,-2.5949904273,0.0396000837,0.0078303517,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Eu-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Eu-O-Sr +mp-1518069,Sr2EuBiO6,-7.233801611,-2.5181406006,0.1164499105,0.0846801784,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Eu-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Eu-O-Sr +mp-1520951,Sr2CuBiO6,-6.06295956,-1.9630780626,0.0611571152,0.0611571152,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cu-O-Sr +mp-1218715,Sr4Cu2Bi4O13,-6.0758498009,-1.9617064565,0.116806678,0.116806678,GGA,C2,A4B2C13D4_mC46_5_2c_c_4a5b2c_2c:Bi-Cu-O-Sr,23.0,"Invalid WP multiplicities - A4B2C13D4_mC46_5_3c_c_4a5b3c_3c:Bi-Cu-O-Sr, expected Sr6Cu2(Bi2O5)3 to be Sr4Cu2Bi4O13" +mp-1046272,Sr2Cu2BiO7,-5.8727748038000005,-1.7023822741,0.147215244,0.147215244,GGA,Ima2,AB2C7D2_oI48_46_b_c_b3c_c:Bi-Cu-O-Sr,24.0,AB2C7D2_oI48_46_b_c_b3c_c:Bi-Cu-O-Sr +mp-555827,Sr2Cu(BiO3)2,-6.1266464455,-2.0503460723,0.0587593977,0.0587593977,GGA,Cccm,A2BC6D2_oC44_66_l_e_g2l_l:Bi-Cu-O-Sr,22.0,"Invalid WP multiplicities - A2BC6D2_oC44_66_l_e_2g7l_l:Bi-Cu-O-Sr, expected Sr2Cu(BiO9)2 to be Sr2Cu(BiO3)2" +mp-1342094,SrCuBiO4,-5.9118380914,-1.7095603631,0.1827613586,0.1827613586,GGA,I4/mmm,ABC4D_tI28_139_e_e_2eg_e:Bi-Cu-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_tI28_139_e_e_3e2g_e:Bi-Cu-O-Sr, expected SrCuBiO7 to be SrCuBiO4" +mp-1517218,Sr2TbSbO6,-7.231627177,-3.0493785256,0.0,-0.0234742111,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Tb +mp-10461,NaSr3SbO6,-6.3925691827,-2.7380110772,0.0,-0.0860701883,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Na-O-Sb-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Na-O-Sb-Sr +mp-17433,NaSr4(SbO4)3,-6.5609386765,-2.5695503084,0.0219278105,0.0219278105,GGA,P2_1/c,AB12C3D4_mP40_14_a_6e_bcd_2e:Na-O-Sb-Sr,40.0,"Invalid WP multiplicities - AB12C3D4_mP40_14_a_6e_bcd_4e:Na-O-Sb-Sr, expected NaSr8(SbO4)3 to be NaSr4(SbO4)3" +mp-13323,Ba2EuNbO6,-8.610643599,-3.2230047002,0.0,-0.0085534013,GGA,I4/m,A2BCD6_tI20_87_d_a_b_eh:Ba-Eu-Nb-O,10.0,A2BCD6_tI20_87_d_a_b_eh:Ba-Eu-Nb-O +mp-1518653,Ba2EuNbO6,-8.6064632573,-3.2188243585,0.0041803417,-0.0043730596,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Eu-Nb-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Eu-Nb-O +mp-22279,Ba2EuNbO6,-8.601598086,-3.2139591872,0.009045513,0.0004921117,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Eu-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Eu-Nb-O +mp-1516421,PrEu2NbO6,-9.814230387,-3.3065957208,0.090075383,0.090075383,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Eu-Nb-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Eu-Nb-O-Pr +mp-1516366,PrEu2NbO6,-9.699813023,-3.1921783567,0.204492747,0.204492747,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Pr +mp-1521103,BaPrEuNbO6,-8.9964863498,-3.3226543695,0.0631591307,0.0631591307,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Eu-Nb-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Eu-Nb-O-Pr, expected BaPrEu2NbO12 to be BaPrEuNbO6" +mp-1521276,BaPrEuNbO6,-8.936194292,-3.2623623118,0.1234511885,0.1234511885,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Pr +mp-10344,Ba2PrNbO6,-8.196665588,-3.3566362938,0.0,-0.0045126063,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Nb-O-Pr,20.0,A2BC6D_mP20_14_e_a_3e_d:Ba-Nb-O-Pr +mp-552176,Ba2PrNbO6,-8.195902944,-3.3558736497,0.000762644,-0.0037499623,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Nb-O-Pr,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-Nb-O-Pr +mp-1521799,Ba2PrNbO6,-8.1832449957,-3.3432157015,0.0134205923,0.0089079859,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Pr +mp-1228384,Ba2PrNbO6,-8.17707647,-3.3370471758,0.019589118,0.0150765117,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Pr +mp-1521869,SrCaCr4O12,-7.5907679878,-1.9425708906,0.3679511724,0.3679511724,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Cr-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Cr-O-Sr, expected SrCaCr4O18 to be SrCaCr4O12" +mp-1218402,SrCaCr2O6,-7.814223247,-2.5460911929,0.1285341993,0.1285341993,GGA+U,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:Ca-Cr-O-Sr,10.0,AB2C6D_tP10_123_c_g_abi_d:Ca-Cr-O-Sr +mp-1218573,Sr4CaCr5O15,-7.7880929904,-2.5389273219,0.1223917285,0.1223917285,GGA+U,R-3m,AB5C15D4_hR75_166_b_a2c_d2h_2c:Ca-Cr-O-Sr,25.0,"Invalid WP multiplicities - AB5C15D4_hR75_166_b_a4c_3d9h_3c:Ca-Cr-O-Sr, expected Sr6CaCr9O63 to be Sr4CaCr5O15" +mp-1219532,Sr18Ca3Cr14O56,-7.5801895314,-2.6506849797000003,0.0,-0.0072711392,GGA+U,R3,A3B14C56D18_hR273_146_3a_2a4b_2a18b_6b:Ca-Cr-O-Sr,91.0,A3B14C56D18_hR273_146_3a_2a4b_2a18b_6b:Ca-Cr-O-Sr +mp-1520339,Sr2CaCrO6,-7.04924867,-2.5774720176,0.1694954653,0.1694954653,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ca-Cr-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ca-Cr-O-Sr +mp-1519143,SrCaHf4O12,-8.9758874761,-3.2601033656,0.201065454,0.201065454,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Hf-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Hf-O-Sr, expected SrCaHf4O18 to be SrCaHf4O12" +mp-1218494,Sr3CaHf4O12,-9.1212541495,-3.8080991047,0.0076126758,0.0076126758,GGA,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Hf-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:Ca-Hf-O-Sr, expected Sr3CaHf8O20 to be Sr3CaHf4O12" +mp-779001,Sr4Hf3O10,-8.7797048347,-3.7152090691,0.0119193074,0.0119193074,GGA,Cmce,A3B10C4_oC68_64_ad_2dfg_2d:Hf-O-Sr,34.0,"Invalid WP multiplicities - A3B10C4_oC68_64_2a2d_6d4f2g_7d:Hf-O-Sr, expected Sr7Hf3O14 to be Sr4Hf3O10" +mp-1218454,SrCa3Hf4O12,-9.156984465,-3.8122187776,0.0074861088,0.0074861088,GGA,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:Ca-Hf-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_4c_2a2b8c_a:Ca-Hf-O-Sr, expected SrCa3Hf8O20 to be SrCa3Hf4O12" +mp-752691,Sr3Hf2O7,-8.6501339504,-3.6826606672,0.0083898546,0.0083898546,GGA,Ccce,A2B7C3_oC48_68_e_aei_be:Hf-O-Sr,24.0,"Invalid WP multiplicities - A2B7C3_oC48_68_e_2a3e2i_b2e:Hf-O-Sr, expected Sr5Hf2O16 to be Sr3Hf2O7" +mp-779517,Sr3Hf2O7,-8.63732643,-3.6698531468,0.021197375,0.021197375,GGA,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Hf-O-Sr,12.0,"Invalid WP multiplicities - A2B7C3_tI24_139_e_ae2g_be:Hf-O-Sr, expected Sr3Hf2O11 to be Sr3Hf2O7" +mp-757149,Sr2Hf7O16,-10.024213384,-3.9351602041,0.0027214289,0.0027214289,GGA,R-3,A7B16C2_hR75_148_af_2c2f_c:Hf-O-Sr,25.0,"Invalid WP multiplicities - A7B16C2_hR75_148_af_3c8f_c:Hf-O-Sr, expected Sr2Hf7O54 to be Sr2Hf7O16" +mp-3378,SrHfO3,-9.111064951,-3.8137152276,0.0,-0.0485172642,GGA,Pnma,AB3C_oP20_62_a_cd_c:Hf-O-Sr,20.0,AB3C_oP20_62_a_cd_c:Hf-O-Sr +mp-4673,SrHfO3,-9.1066154,-3.8092656766,0.004449551,-0.0440677132,GGA,Cmcm,AB3C_oC40_63_d_efg_2c:Hf-O-Sr,20.0,AB3C_oC40_63_d_efg_2c:Hf-O-Sr +mp-13109,SrHfO3,-9.108384599,-3.8110348756,0.002680352,-0.0458369122,GGA,Imma,AB3C_oI20_74_a_eg_e:Hf-O-Sr,10.0,AB3C_oI20_74_a_eg_e:Hf-O-Sr +mp-13108,SrHfO3,-9.078168534,-3.7808188106,0.032896417,-0.0156208472,GGA,P4mm,AB3C_tP5_99_a_ac_b:Hf-O-Sr,5.0,AB3C_tP5_99_a_ac_b:Hf-O-Sr +mp-550908,SrHfO3,-9.09819543,-3.8008457066,0.012869521,-0.0356477432,GGA,P4/mbm,AB3C_tP10_127_a_bg_c:Hf-O-Sr,10.0,"Invalid WP multiplicities - AB3C_tP10_127_a_b2g_c:Hf-O-Sr, expected SrHfO5 to be SrHfO3" +mp-3721,SrHfO3,-9.105002859,-3.8076531356,0.006062092,-0.0424551722,GGA,I4/mcm,AB3C_tI20_140_c_ah_b:Hf-O-Sr,10.0,AB3C_tI20_140_c_ah_b:Hf-O-Sr +mp-4551,SrHfO3,-9.078107392,-3.7807576686,0.032957559,-0.0155597052,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hf-O-Sr,5.0,AB3C_cP5_221_b_c_a:Hf-O-Sr +mp-752537,Sr2HfO4,-8.2888622407,-3.5570149862,0.0464178886,0.0464178886,GGA,Pbam,AB4C2_oP14_55_a_gh_h:Hf-O-Sr,14.0,"Invalid WP multiplicities - AB4C2_oP14_55_a_3g2h_h:Hf-O-Sr, expected Sr2HfO10 to be Sr2HfO4" +mp-754761,Sr2HfO4,-8.3288330032,-3.5969857487,0.0064471261,0.0064471261,GGA,P4_2/ncm,AB4C2_tP28_138_c_aei_i:Hf-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_tP28_138_c_3a3e3i_i:Hf-O-Sr, expected Sr2HfO12 to be Sr2HfO4" +mp-768305,Sr2HfO4,-8.3166694129,-3.5848221583,0.0186107164,0.0186107164,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Hf-O-Sr,7.0,AB4C2_tI14_139_a_ce_e:Hf-O-Sr +mp-752581,Sr2HfO4,-8.3218294361,-3.5899821815,0.0134506932,0.0134506932,GGA,I4_1/acd,AB4C2_tI56_142_a_df_d:Hf-O-Sr,28.0,"Invalid WP multiplicities - AB4C2_tI56_142_a_2d3f_d:Hf-O-Sr, expected Sr2HfO10 to be Sr2HfO4" +mp-1095039,Sr2HfCrO6,-8.463602688,-3.1966671206,0.0330160285,0.0330160285,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Hf-O-Sr,20.0,ABC6D2_cF40_225_a_b_e_c:Cr-Hf-O-Sr +mp-779428,Sr4HfO6,-7.5649850527,-3.3472309517,0.0650361477,0.0650361477,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Hf-O-Sr,22.0,"Invalid WP multiplicities - AB6C4_hR66_167_b_f_a2e:Hf-O-Sr, expected Sr7HfO6 to be Sr4HfO6" +mp-1520861,NaGdHf2O6,-9.9756247,-3.4763089139,0.168125052,0.168125052,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Gd-Hf-Na-O,10.0,AB2CD6_cF40_225_a_c_b_d:Gd-Hf-Na-O +mp-571167,NdNiSb3,-5.3206914635,-0.733633897,0.0,-0.0272206035,GGA,Pbcm,ABC3_oP60_57_de_ce_c2d3e:Nd-Ni-Sb,60.0,"Invalid WP multiplicities - ABC3_oP60_57_2d2e_ce_3c8d18e:Nd-Ni-Sb, expected Nd6Ni3Sb47 to be NdNiSb3" +mp-1522005,NaNd(NiO3)4,-5.7286420489,-0.8080040499000001,0.4408491547,0.4408491547,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Na-Nd-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Na-Nd-Ni-O, expected NaNd(NiO4)4 to be NaNd(NiO3)4" +mp-1078507,NdNiSb2,-5.519070575,-0.8174989269,0.004881265,0.004881265,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Nd-Ni-Sb,8.0,ABC2_tP8_129_c_a_bc:Nd-Ni-Sb +mp-971678,Na3Ni2SbO6,-5.9002486817,-1.7888334527,0.0,-0.0450295487,GGA+U,C2/m,A3B2C6D_mC24_12_ag_h_ij_d:Na-Ni-O-Sb,24.0,A3B2C6D_mC24_12_ag_h_ij_c:Na-Ni-O-Sb +mp-976380,Nd(NiSb)2,-5.634900925,-0.7176162705,0.0,-0.036657989,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Nd-Ni-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Nd-Ni-Sb +mp-568161,Nd(NiSb)2,-5.582075174,-0.6647905195,0.052825751,0.016167762,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Nd-Ni-Sb,5.0,AB2C2_tI10_139_a_d_e:Nd-Ni-Sb +mp-1025087,NdNiSb,-5.78289413,-0.8904656792000001,0.0,-0.032208515,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Nd-Ni-Sb,6.0,ABC_hP6_194_a_c_d:Nd-Ni-Sb +mp-1221170,Na4Ni3(SbO5)2,-6.0158259379,-1.7865943165,0.0139645955,0.0139645955,GGA+U,C2/m,A4B3C10D2_mC38_12_2h_ag_i2j_g:Na-Ni-O-Sb,38.0,"Invalid WP multiplicities - A4B3C10D2_mC38_12_2h_2a2g_i2j_g:Na-Ni-O-Sb, expected Na2Ni3SbO5 to be Na4Ni3(SbO5)2" +mp-1293247,Sr3Co2(ClO2)2,-6.2257823432,-2.3376965145,0.0567610111,0.0567610111,GGA+U,C2/m,A2B2C4D3_mC44_12_2i_2i_4i_3i:Cl-Co-O-Sr,22.0,"Invalid WP multiplicities - A2B2C4D3_mC44_12_3i_2i_8i_4i:Cl-Co-O-Sr, expected Sr4Co2Cl3O8 to be Sr3Co2(ClO2)2" +mp-1291920,Sr3Co2(ClO2)2,-6.2227501077,-2.3346642791,0.0597932466,0.0597932466,GGA+U,C2/m,A2B2C4D3_mC44_12_2i_2i_4i_ac2i:Cl-Co-O-Sr,22.0,"Invalid WP multiplicities - A2B2C4D3_mC44_12_4i_2i_8i_ad4i:Cl-Co-O-Sr, expected Sr5Co2(ClO2)4 to be Sr3Co2(ClO2)2" +mp-1101806,Sr3Co2(ClO2)2,-6.2507081618,-2.3626223332,0.0318351925,0.0318351925,GGA+U,I4/mmm,A2B2C4D3_tI22_139_e_e_g_ae:Cl-Co-O-Sr,22.0,A2B2C4D3_tI22_139_e_e_g_ae:Cl-Co-O-Sr +mp-23115,Sr2CoClO3,-6.3084633336,-2.4261908342,0.0272767976,0.0272767976,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:Cl-Co-O-Sr,14.0,ABC3D2_tP14_129_c_c_cf_2c:Cl-Co-O-Sr +mp-1287893,Sr2Co(ClO)2,-5.9334245343,-2.4937451851,0.02247557,0.0144552773,GGA+U,C2/m,A2BC2D2_mC56_12_ghj_adi_4i_ghj:Cl-Co-O-Sr,28.0,"Invalid WP multiplicities - A2BC2D2_mC56_12_2g2h3j_ac2i_5i_2gh4j:Cl-Co-O-Sr, expected Sr11Co3(Cl2O)5 to be Sr2Co(ClO)2" +mp-560610,Sr2Co(ClO)2,-5.9488272539,-2.5091479048,0.0070728504,-0.0009474424,GGA+U,Immm,A2BC2D2_oI14_71_e_a_cd_e:Cl-Co-O-Sr,28.0,A2BC2D2_tI14_139_e_a_c_e:Cl-Co-O-Sr +mp-23130,Sr2Co(ClO)2,-5.9559001043,-2.5162207551,0.0,-0.0080202927,GGA+U,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Cl-Co-O-Sr,14.0,A2BC2D2_tI14_139_e_a_c_e:Cl-Co-O-Sr +mp-549705,Sr3Co2Cl2O5,-6.21276368,-2.2364609445,0.1032861381,0.1032861381,GGA+U,I4mm,A2B2C5D3_tI24_107_2a_2a_a2b_3a:Cl-Co-O-Sr,12.0,"Invalid WP multiplicities - A2B2C5D3_tI24_139_e_e_a2g_be:Cl-Co-O-Sr, expected Sr3Co2Cl2O9 to be Sr3Co2Cl2O5" +mp-23593,Sr3Co2Cl2O5,-6.2713788817000005,-2.2950761461,0.0446709364,0.0446709364,GGA+U,I4/mmm,A2B2C5D3_tI24_139_e_e_ag_be:Cl-Co-O-Sr,12.0,"Invalid WP multiplicities - A2B2C5D3_tI24_139_e_e_a2g_be:Cl-Co-O-Sr, expected Sr3Co2Cl2O9 to be Sr3Co2Cl2O5" +mp-1218637,Sr8Co6Cl4O15,-6.2915239561,-2.1169684498,0.1697694607,0.1697694607,GGA+U,C2/m,A4B6C15D8_mC66_12_j_ij_abc2g2hj_2j:Cl-Co-O-Sr,33.0,"Invalid WP multiplicities - A4B6C15D8_mC66_12_j_ij_abc4g4hj_2j:Cl-Co-O-Sr, expected Sr8Co6Cl4O23 to be Sr8Co6Cl4O15" +mp-2219142,Sr3MgCo2Cl2O5,-5.96653989,-2.1730081303,0.3229236683,0.3229236683,GGA+U,Imm2,A2B2CD5E3_oI26_44_2a_2a_b_a4b_3a:Cl-Co-Mg-O-Sr,13.0,A2B2CD5E3_oI26_44_2a_2a_b_a4b_3a:Cl-Co-Mg-O-Sr +mp-2240969,Sr3MgCo2Cl2O5,-5.8836139677,-2.090082208,0.4058495906,0.4058495906,GGA+U,Imm2,A2B2CD5E3_oI26_44_2a_2a_b_a4b_3a:Cl-Co-Mg-O-Sr,13.0,A2B2CD5E3_oI26_44_2a_2a_b_a4b_3a:Cl-Co-Mg-O-Sr +mp-1099795,Ba7Sr(Cu2O5)4,-5.9057948539,-1.8266352534,0.1056684389,0.1056684389,GGA,P1,A7B8C20D_aP144_1_28a_32a_80a_4a:Ba-Cu-O-Sr,144.0,A7B8C20D_aP144_1_28a_32a_80a_4a:Ba-Cu-O-Sr +mp-1076189,Ba3Sr(Cu2O5)2,-5.9071143517,-1.8343292369,0.1033468164,0.1033468164,GGA,P1,A3B4C10D_aP144_1_24a_32a_80a_8a:Ba-Cu-O-Sr,144.0,A3B4C10D_aP144_1_24a_32a_80a_8a:Ba-Cu-O-Sr +mp-1214570,Ba2YbCu3O7,-6.0500882254,-2.0268575216,0.0449042496,0.0449042496,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Yb,,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Yb +mp-980191,BaSrYb2,-1.639925425,0.0319958133,0.0338840025,0.0338840025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Sr-Yb,,ABC2_cF16_225_a_b_c:Ba-Sr-Yb +mp-1228628,Ba2SrYb6O12,-6.328336441,-2.7985575101,0.2114116095,0.2114116095,GGA,P-6,A2B12CD6_hP21_174_ac_2j2k_f_jk:Ba-O-Sr-Yb,,A2B12CD6_hP21_174_ac_2j2k_f_jk:Ba-O-Sr-Yb +mp-653337,Ba4Yb(CuO3)3,-6.1558863032,-2.2715729826,0.0,-0.0171998204,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Yb,,"Invalid WP multiplicities - A4B3C9D_cP34_223_e_b_3c3f_a:Ba-Cu-O-Yb, expected Ba4Yb(CuO9)3 to be Ba4Yb(CuO3)3" +mp-15039,Ba2Yb(CuO2)4,-6.0203310213,-1.930471386,0.0,-0.008101267,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Yb,,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Yb +mp-1228720,Ba8Sr2Yb5(Cu3O7)5,-6.0518482443,-2.0356785094,0.0447254457,0.0447254457,GGA,Pm,A8B15C35D2E5_mP65_6_8a_15b_10a25b_2a_5a:Ba-Cu-O-Sr-Yb,,A8B15C35D2E5_mP65_6_8a_15b_10a25b_2a_5a:Ba-Cu-O-Sr-Yb +mp-1099824,Ba7Sr(CuO3)8,-5.8345863808,-1.6686738692,0.0806333688,0.0806333688,GGA,Pm-3m,A7B8C24D_cP40_221_acd_g_ij_b:Ba-Cu-O-Sr,40.0,"Invalid WP multiplicities - A7B8C24D_cP40_221_a3c3d_g_6i6j_b:Ba-Cu-O-Sr, expected Ba19Sr(CuO18)8 to be Ba7Sr(CuO3)8" +mp-1206538,BaSr(CuO2)2,-5.9399299887,-1.9907254165,0.0450677775,0.0450677775,GGA,P4/mmm,AB2C4D_tP8_123_a_h_i_b:Ba-Cu-O-Sr,8.0,AB2C4D_tP8_123_a_h_i_b:Ba-Cu-O-Sr +mp-6323,BaYb2CuO5,-6.3766360458,-2.6176536318,0.0,-0.0048535326,GGA,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Yb,,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Yb +mp-1099602,Ba3Sr(CuO3)4,-5.8409018945,-1.6807264201,0.0712256691,0.0712256691,GGA,P4/mmm,A3B4C12D_tP20_123_be_j_kln_d:Ba-Cu-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_tP20_123_b2e_j_k2l3n_d:Ba-Cu-O-Sr, expected Ba5Sr(CuO6)4 to be Ba3Sr(CuO3)4" +mp-1227580,BaSrYb4O8,-6.3501223829,-2.8258072969,0.1866807286,0.1866807286,GGA,Pmc2_1,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Yb,,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Yb +mp-1521375,BaSrMn4O12,-7.2029562561,-1.6686899174,0.3276866996,0.3276866996,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Mn-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Mn-O-Sr, expected BaSrMn4O16 to be BaSrMn4O12" +mp-1218753,Sr2NdMn2O7,-7.9007111725,-2.8092123473,0.0081945356,0.0081945356,GGA+U,I4mm,A2BC7D2_tI24_107_2a_a_3a2b_2a:Mn-Nd-O-Sr,12.0,A2BC7D2_tI24_107_2a_a_3a2b_2a:Mn-Nd-O-Sr +mp-1218717,Sr2NdMn2O7,-7.9014292967,-2.8099304715,0.0074764114,0.0074764114,GGA+U,I4/mmm,A2BC7D2_tI24_139_e_a_beg_e:Mn-Nd-O-Sr,12.0,A2BC7D2_tI24_139_e_a_beg_e:Mn-Nd-O-Sr +mp-1218675,Sr4NdMn5O15,-7.8277931128,-2.5663319778,0.0298885169,0.0298885169,GGA+U,C2/m,A5BC15D4_mC50_12_c2i_a_bf2i2j_2i:Mn-Nd-O-Sr,25.0,"Invalid WP multiplicities - A5BC15D4_mC50_12_c3i_b_a2e4i8j_3i:Mn-Nd-O-Sr, expected Sr6NdMn7O45 to be Sr4NdMn5O15" +mp-1227531,BaSrNd4O8,-7.9711084479,-3.524353604,0.0232189729,0.0232189729,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Nd-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Nd-O-Sr +mp-19460,Ba5Nd8Mn4O21,-8.1248262087,-3.1703899386,0.0,-0.0117177714,GGA+U,I4/m,A5B4C8D21_tI76_87_ah_h_2h_bh2i:Ba-Mn-Nd-O,38.0,"Invalid WP multiplicities - A5B4C8D21_tI76_87_ah_h_2h_b2h2i:Ba-Mn-Nd-O, expected Ba5Nd8Mn4O25 to be Ba5Nd8Mn4O21" +mp-1227420,BaSrMn2O6,-7.644299767,-2.4830366425,0.0088216358,0.0088216358,GGA+U,P6_3/mmc,AB2C6D_hP20_194_a_f_gh_c:Ba-Mn-O-Sr,20.0,AB2C6D_hP20_194_a_f_gh_c:Ba-Mn-O-Sr +mp-1227712,BaSr3Mn4O12,-7.619069726,-2.4692806758,0.0269658036,0.0269658036,GGA+U,P-6m2,AB4C12D3_hP20_187_a_gh_jkn_di:Ba-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_hP20_187_a_2gh_jkn_di:Ba-Mn-O-Sr, expected BaSr3Mn6O12 to be BaSr3Mn4O12" +mp-1228535,Ba2Sr2Mn3O10,-7.5178426926,-2.5666738823,0.0093941329,0.0093941329,GGA+U,Cmce,A2B3C10D2_oC68_64_f_af_e2fg_f:Ba-Mn-O-Sr,,A2B3C10D2_oC68_64_f_af_e2fg_f:Ba-Mn-O-Sr +mp-1218259,SrNd2Mn3O9,-8.3664016798,-2.8175995068,0.0,-0.0058472168,GGA+U,Pnma,A3B2C9D_oP60_62_ad_2c_3c3d_c:Mn-Nd-O-Sr,60.0,"Invalid WP multiplicities - A3B2C9D_oP60_62_4a5d_6c_11c21d_c:Mn-Nd-O-Sr, expected SrNd6Mn14O53 to be SrNd2Mn3O9" +mp-1217982,SrNdMnO4,-8.0393428657,-2.9812841482,0.0255774795,0.0255774795,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Mn-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Mn-Nd-O-Sr +mp-546665,BaNdMn2O5,-8.2848127811,-2.7576353908,0.0,-0.0247579433,GGA+U,P4/mmm,AB2CD5_tP9_123_a_h_b_ci:Ba-Mn-Nd-O,9.0,AB2CD5_tP9_123_a_h_b_ci:Ba-Mn-Nd-O +mp-1218797,Sr2NdMn3O9,-7.9943084123,-2.6507498379000003,0.0090441189,0.0090441189,GGA+U,C2/c,A3BC9D2_mC60_15_af_e_e4f_f:Mn-Nd-O-Sr,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_2c2f_e_e12f_f:Mn-Nd-O-Sr, expected Sr2NdMn6O25 to be Sr2NdMn3O9" +mp-1517226,SrNdMn4O12,-7.6077612767,-1.9152075773,0.2408673544,0.2408673544,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Mn-Nd-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Mn-Nd-O-Sr, expected SrNdMn4O16 to be SrNdMn4O12" +mp-1523075,BaSrNdMnO6,-7.4562350025,-2.734358664,0.1094440859,0.1094440859,GGA+U,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Mn-Nd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Mn-Nd-O-Sr, expected BaSrNdMnO12 to be BaSrNdMnO6" +mp-1522851,BaSrNdMnO6,-7.4540305067,-2.7321541682,0.1116485816,0.1116485816,GGA+U,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Mn-Nd-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Mn-Nd-O-Sr +mp-1522863,BaSrNdMnO6,-7.451673115,-2.7297967765,0.1140059734,0.1140059734,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Mn-Nd-O-Sr +mp-1227783,BaSr3Mn3O10,-7.4959602309,-2.5582903315000003,0.0259218675,0.0259218675,GGA+U,C2/m,AB3C10D3_mC68_12_i_ad2i_4i3j_3i:Ba-Mn-O-Sr,34.0,"Invalid WP multiplicities - AB3C10D3_mC68_12_i_ac2i_4i5j_3i:Ba-Mn-O-Sr, expected BaSr3Mn3O14 to be BaSr3Mn3O10" +mp-1521392,Ba2SrMnO6,-6.8387274183,-2.4017683290000003,0.1177846805,0.1177846805,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Mn-O-Sr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Mn-O-Sr +mp-1521476,Ba2SrMnO6,-6.841910231,-2.4049511417,0.1146018678,0.1146018678,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sr +mp-1218124,SrNdMn2O5,-8.2330210078,-2.7313415604,0.0472964041,0.0472964041,GGA+U,Cm,A2BC5D_mC36_8_2ab_b_2a4b_b:Mn-Nd-O-Sr,18.0,"Invalid WP multiplicities - A2BC5D_mC36_8_2ab_b_2a8b_b:Mn-Nd-O-Sr, expected SrNdMn2O9 to be SrNdMn2O5" +mp-1218352,Sr3NdMn2O8,-7.7084013779,-2.870246516,0.0,-0.0097604653,GGA+U,Amm2,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Mn-Nd-O-Sr,14.0,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Mn-Nd-O-Sr +mp-1521512,Sr2NdMnO6,-7.412574719,-2.7136465291,0.1386868818,0.1386868818,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Mn-Nd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Mn-Nd-O-Sr +mp-555245,Ba4NdMn3O12,-7.6004441185,-2.6359262383,0.0190508086,0.0190508086,GGA+U,R-3m,A4B3CD12_hR60_166_2c_ac_b_2h:Ba-Mn-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_166_2c_a2c_b_9h:Ba-Mn-Nd-O, expected Ba4NdMn5O54 to be Ba4NdMn3O12" +mp-1517187,BaNdMn4O12,-7.5906722172,-1.8853695463,0.270722037,0.270722037,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Mn-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Mn-Nd-O, expected BaNdMn4O16 to be BaNdMn4O12" +mp-18861,BaNd2Mn2O7,-8.3238927958,-2.9567160152,0.0027309368,0.0027309368,GGA+U,I4/mmm,AB2C2D7_tI24_139_a_e_e_beg:Ba-Mn-Nd-O,12.0,"Invalid WP multiplicities - AB2C2D7_tI24_139_a_e_e_b2eg:Ba-Mn-Nd-O, expected BaNd2Mn2O9 to be BaNd2Mn2O7" +mp-2228392,Rb4MgTi2(CuS2)4,-4.8976612337,-1.1712493396,0.094728433,0.094728433,GGA,Cm,A4BC4D8E2_mC38_8_2b_a_2ab_4a2b_2a:Cu-Mg-Rb-S-Ti,19.0,"Invalid WP multiplicities - A4BC4D8E2_mC38_8_2b_a_2ab_4a4b_2a:Cu-Mg-Rb-S-Ti, expected Rb4MgTi2(CuS3)4 to be Rb4MgTi2(CuS2)4" +mp-2230081,Rb4MgTi2(CuS2)4,-4.7386445458,-1.0122326517,0.2537451209,0.2537451209,GGA,P2/m,A4BC4D8E2_mP19_10_il_a_mn_2o_k:Cu-Mg-Rb-S-Ti,19.0,"Invalid WP multiplicities - A4BC4D8E2_mP19_10_2i2k_a_m2n_4o_l:Cu-Mg-Rb-S-Ti, expected Rb6MgTi2(CuS2)8 to be Rb4MgTi2(CuS2)4" +mp-2230093,Rb4MgTi2(CuS2)4,-4.7632240642,-1.0368121701,0.2291656025,0.2291656025,GGA,Cmmm,A4BC4D8E2_oC38_65_m_a_gj_no_k:Cu-Mg-Rb-S-Ti,19.0,"Invalid WP multiplicities - A4BC4D8E2_oC38_65_m_a_2gj_2n2o_k:Cu-Mg-Rb-S-Ti, expected Rb6MgTi2(CuS4)4 to be Rb4MgTi2(CuS2)4" +mp-2228344,Rb4MgTi2(CuS2)4,-4.8975707547,-1.1711588606,0.094818912,0.094818912,GGA,P-42m,A4BC4D8E2_tP19_111_ef_b_n_2n_ac:Cu-Mg-Rb-S-Ti,19.0,"Invalid WP multiplicities - A4BC4D8E2_tP19_111_ef_b_n_5n_ac:Cu-Mg-Rb-S-Ti, expected Rb4MgTi2(CuS5)4 to be Rb4MgTi2(CuS2)4" +mp-2232160,MgTi4(CuS4)2,-6.2749511067,-1.3101337472,0.1537045253,0.1537045253,GGA,Imm2,A2BC8D4_oI30_44_ab_a_2c2d_cd:Cu-Mg-S-Ti,15.0,"Invalid WP multiplicities - A2BC8D4_oI30_44_ab_a_3c4d_2c2d:Cu-Mg-S-Ti, expected MgTi8(CuS7)2 to be MgTi4(CuS4)2" +mp-2232213,MgTi4(CuS4)2,-6.339970988,-1.3751536286,0.088684644,0.088684644,GGA,R-3m,A2BC8D4_hR45_166_c_b_ch_ad:Cu-Mg-S-Ti,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_166_c_b_2c3h_a2d:Cu-Mg-S-Ti, expected MgTi7(CuS11)2 to be MgTi4(CuS4)2" +mp-2232181,MgTi4(CuS4)2,-6.1063897913,-1.1415724319,0.3222658407,0.3222658407,GGA,F-43m,A2BC8D4_cF60_216_ac_b_2e_e:Cu-Mg-S-Ti,15.0,"Invalid WP multiplicities - A2BC8D4_cF60_216_ac_b_5e_e:Cu-Mg-S-Ti, expected MgTi4(CuS10)2 to be MgTi4(CuS4)2" +mp-1022104,RbMg6Cu,-1.533413755,0.3017638753,0.352414302,0.352414302,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Rb, expected RbMg12Cu to be RbMg6Cu" +mp-1022140,RbMg6Cu,-1.6146578775,0.2205197528,0.2711701795,0.2711701795,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Rb,8.0,AB6C_oC16_38_a_abde_b:Cu-Mg-Rb +mp-1026879,RbMg14Cu,-1.5561782138,0.1615506264,0.1929953476,0.1929953476,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Rb, expected RbMg18Cu to be RbMg14Cu" +mp-1026865,RbMg14Cu,-1.5492798356000002,0.1684490045,0.1998937258,0.1998937258,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Rb, expected RbMg26Cu to be RbMg14Cu" +mp-1022105,Mg6TiCu,-2.5753649344,0.124182439,0.1812534817,0.1812534817,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Ti, expected Mg12TiCu to be Mg6TiCu" +mp-1022111,Mg6TiCu,-2.5884049725,0.1111424008,0.1682134435,0.1682134435,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Ti, expected Mg12TiCu to be Mg6TiCu" +mp-1097145,MgTiCu2,-2.324921555,2.0986247967,2.2318753367,2.2318753367,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Mg-Ti,4.0,A2BC_oI8_71_e_a_b:Cu-Mg-Ti +mp-1026544,RbMg14Ti,-1.7447430313,0.2102536431,0.2282049114,0.2282049114,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Ti, expected RbMg18Ti to be RbMg14Ti" +mp-1026502,RbMg14Ti,-1.76652378,0.1884728943,0.2064241627,0.2064241627,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Ti, expected RbMg26Ti to be RbMg14Ti" +mp-7129,Rb2Ti(CuS2)2,-5.121347675,-1.2768173451,0.0,-0.185924297,GGA,P4_2/mcm,A2B2C4D_tP18_132_e_i_o_b:Cu-Rb-S-Ti,18.0,A2B2C4D_tP18_132_e_i_o_b:Cu-Rb-S-Ti +mp-1099315,RbMg6Ti,-1.9160577862,0.3936555124,0.4090423138,0.4090423138,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Ti,8.0,A6BC_oC16_38_abde_a_b:Mg-Rb-Ti +mp-1021383,RbMg6Ti,-2.0136926137,0.2960206849,0.3114074863,0.3114074863,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Rb-Ti,8.0,A6BC_tP8_123_ej_b_d:Mg-Rb-Ti +mp-1027850,Mg14TiCu,-2.0881927512,0.0617209604,0.1004513906,0.1004513906,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Ti, expected Mg18TiCu to be Mg14TiCu" +mp-1027819,Mg14TiCu,-2.0880733544,0.0618403573,0.1005707875,0.1005707875,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Ti, expected Mg26TiCu to be Mg14TiCu" +mp-2222879,MgTi(CuS)4,-4.849850336,-0.6060105146,0.3548649781,0.3548649781,GGA,Cm,A4BC4D_mC20_8_2ab_a_2ab_a:Cu-Mg-S-Ti,10.0,A4BC4D_mC20_8_2ab_a_2ab_a:Cu-Mg-S-Ti +mp-2223052,MgTi(CuS)4,-4.848193532,-0.6043537106,0.3565217821,0.3565217821,GGA,I-4,A4BC4D_tI20_82_ef_a_g_c:Cu-Mg-S-Ti,10.0,A4BC4D_tI20_82_ef_a_g_c:Cu-Mg-S-Ti +mp-2240539,MgTi(CuS)4,-4.841640352,-0.5978005306,0.3630749621,0.3630749621,GGA,I-42m,A4BC4D_tI20_121_ce_a_i_b:Cu-Mg-S-Ti,10.0,A4BC4D_tI20_121_ce_a_i_b:Cu-Mg-S-Ti +mp-1028214,SrCaMg14,-1.5815435687,0.0496448083,0.1033728303,0.1033728303,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Sr, expected SrCaMg18 to be SrCaMg14" +mp-1028189,SrCaMg14,-1.5968995244,0.0342888527,0.0880168746,0.0880168746,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Sr, expected SrCaMg26 to be SrCaMg14" +mp-1038723,SrMg30CrO32,-6.3568749661,-2.9561721351,0.0684131542,0.0684131542,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Sr, expected SrMg90CrO80 to be SrMg30CrO32" +mp-1038744,SrMg30CrO32,-6.3557664852,-2.9550636542,0.0695216351,0.0695216351,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Sr, expected SrMg110CrO72 to be SrMg30CrO32" +mp-1036367,CaMg14CrO16,-6.4918139431,-2.9540143359,0.0533703319,0.0533703319,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Cr-Mg-O, expected CaMg18CrO20 to be CaMg14CrO16" +mp-1036428,CaMg14CrO16,-6.4804409531000005,-2.9426413459000003,0.0647433219,0.0647433219,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Cr-Mg-O, expected CaMg30CrO32 to be CaMg14CrO16" +mp-1031834,SrCaMg6O8,-6.2052706369,-2.9008779292,0.1877001119,0.1877001119,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Sr, expected SrCaMg6O12 to be SrCaMg6O8" +mp-1031886,SrCaMg6O8,-6.1482962812,-2.8439035735,0.2446744675,0.2446744675,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Sr, expected SrCaMg6O12 to be SrCaMg6O8" +mp-2225366,SrMgCrO3,-6.8317747033,-2.2012935188,0.5385600064,0.5385600064,GGA+U,Cm,ABC3D_mC12_8_a_a_ab_a:Cr-Mg-O-Sr,6.0,"Invalid WP multiplicities - ABC3D_mC12_8_a_a_a2b_a:Cr-Mg-O-Sr, expected SrMgCrO5 to be SrMgCrO3" +mp-2225887,SrMgCrO3,-6.73788475,-2.1074035655,0.6324499597000001,0.6324499597000001,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Cr-Mg-O-Sr,6.0,ABC3D_tP6_123_b_d_ae_c:Cr-Mg-O-Sr +mp-1034560,SrMg14CrO16,-6.4138498131,-2.8859285318000003,0.1092017474,0.1092017474,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Sr, expected SrMg18CrO20 to be SrMg14CrO16" +mp-1034524,SrMg14CrO16,-6.4084078441,-2.8804865627,0.1146437165,0.1146437165,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Sr, expected SrMg30CrO32 to be SrMg14CrO16" +mp-1026596,SrMg14Cr,-1.9907861075,0.118367744,0.153084679,0.153084679,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Sr, expected SrMg18Cr to be SrMg14Cr" +mp-1026587,SrMg14Cr,-1.9854123388,0.1237415127,0.1584584477,0.1584584477,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Sr, expected SrMg26Cr to be SrMg14Cr" +mp-1038009,SrCaMg30O32,-6.2923093797,-3.0110979173,0.0515768175,0.0515768175,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Sr, expected SrCaMg110O72 to be SrCaMg30O32" +mp-1038012,SrCaMg30O32,-6.28523741,-3.0040259476,0.0586487872,0.0586487872,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Sr, expected SrCaMg90O80 to be SrCaMg30O32" +mp-1031901,CaMg6CrO8,-6.6475693794,-2.8454545456,0.1152744906,0.1152744906,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Cr-Mg-O, expected CaMg6CrO12 to be CaMg6CrO8" +mp-1031928,CaMg6CrO8,-6.6498287163,-2.8477138825,0.1130151537,0.1130151537,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Cr-Mg-O, expected CaMg6CrO12 to be CaMg6CrO8" +mp-1036397,SrCaMg14O16,-6.2335213994,-2.9445828552,0.126726315,0.126726315,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Sr, expected SrCaMg18O20 to be SrCaMg14O16" +mp-1036311,SrCaMg14O16,-6.2487174941,-2.9597789499,0.1115302203,0.1115302203,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Sr, expected SrCaMg30O32 to be SrCaMg14O16" +mp-1033435,SrMg6CrO8,-6.496296515,-2.7139383329,0.2222819261,0.2222819261,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Sr, expected SrMg6CrO12 to be SrMg6CrO8" +mp-1033472,SrMg6CrO8,-6.499946185,-2.7175880029,0.2186322561,0.2186322561,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Sr, expected SrMg6CrO12 to be SrMg6CrO8" +mp-1037925,CaMg30CrO32,-6.3914505514,-2.9858085575,0.0449039261,0.0449039261,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Cr-Mg-O, expected CaMg90CrO80 to be CaMg30CrO32" +mp-1037960,CaMg30CrO32,-6.4102974689,-3.004655475,0.0260570086,0.0260570086,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Cr-Mg-O, expected CaMg110CrO72 to be CaMg30CrO32" +mp-1023160,SrCaMg6,-1.6025495256,0.0595471785,0.142354928,0.142354928,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Sr, expected SrCaMg12 to be SrCaMg6" +mp-1023239,SrCaMg6,-1.686276065,-0.0241793608,0.0586283886,0.0586283886,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Sr, expected SrCaMg12 to be SrCaMg6" +mp-1093909,SrCaMg2,-0.342071225,1.3818421333,1.4614437046,1.4614437046,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Mg-Sr,4.0,AB2C_oI8_71_a_e_b:Ca-Mg-Sr +mp-1028121,CaMg14Cr,-2.0437122356,0.0851982675,0.1235848811,0.1235848811,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Cr-Mg, expected CaMg18Cr to be CaMg14Cr" +mp-1028109,CaMg14Cr,-2.0401883875,0.0887221156,0.1271087292,0.1271087292,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Cr-Mg, expected CaMg26Cr to be CaMg14Cr" +mp-1023158,CaMg6Cr,-2.4888276806,0.1687132756,0.2208382084,0.2208382084,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Cr-Mg, expected CaMg12Cr to be CaMg6Cr" +mp-1023188,CaMg6Cr,-2.4882414838,0.1692994725,0.2214244053,0.2214244053,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Cr-Mg, expected CaMg12Cr to be CaMg6Cr" +mp-2227890,Sr2MgCrO4,-7.0217072288,-2.7193235698,0.1049983223,0.1049983223,GGA+U,Pm,ABC4D2_mP8_6_a_b_2a2b_ab:Cr-Mg-O-Sr,8.0,ABC4D2_mP8_6_a_b_2a2b_ab:Cr-Mg-O-Sr +mp-2225595,Sr2MgCrO4,-6.6902044625,-2.3878208035,0.4365010885,0.4365010885,GGA+U,I-4m2,ABC4D2_tI16_119_a_c_ef_e:Cr-Mg-O-Sr,8.0,ABC4D2_tI16_119_a_c_ef_e:Cr-Mg-O-Sr +mp-2217445,Sr2MgCrO4,-6.7245188812,-2.4221352223,0.4021866698,0.4021866698,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Cr-Mg-O-Sr,8.0,ABC4D2_tI16_139_a_b_ce_e:Cr-Mg-O-Sr +mp-1016280,SrMg6Cr,-2.3893536425,0.2286740104,0.2769088675,0.2769088675,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Sr, expected SrMg12Cr to be SrMg6Cr" +mp-1016300,SrMg6Cr,-2.3921328863,0.2258947667,0.2741296237,0.2741296237,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Sr, expected SrMg12Cr to be SrMg6Cr" +mp-773627,Li2Fe3BiO8,-6.8701556216,-1.6814478942000002,0.0722251024,0.0722251024,GGA+U,P1,AB3C2D8_aP56_1_4a_12a_8a_32a:Bi-Fe-Li-O,56.0,AB3C2D8_aP56_1_4a_12a_8a_32a:Bi-Fe-Li-O +mp-755855,Li2Fe3BiO8,-6.9286691521,-1.7399614248000002,0.0137115719,0.0137115719,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Bi-Fe-Li-O,28.0,AB3C2D8_hR42_166_a_d_c_ch:Bi-Fe-Li-O +mp-1177997,Li2Fe3BiO8,-6.9385395602,-1.7498318328,0.0038411638,0.0038411638,GGA+U,P4_332,AB3C2D8_cP56_212_a_d_c_ce:Bi-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_212_a_d_c_8c9e:Bi-Fe-Li-O, expected Li2Fe3BiO70 to be Li2Fe3BiO8" +mp-1095380,LiEuBi,-6.1604808025,-0.8250095369,0.0,-0.0783416323,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Eu-Li,12.0,ABC_oP12_62_c_c_c:Bi-Eu-Li +mp-1105393,Li7(Eu2Bi3)2,-5.29158908,-0.7366830773,0.0,-0.0163431573,GGA,C2/m,A6B4C7_mC34_12_3i_2i_a3i:Bi-Eu-Li,17.0,A6B4C7_mC34_12_3i_2i_a3i:Bi-Eu-Li +mp-2228250,BaMgMoO3,-6.5620621467,-1.6945669410000002,0.8737173306,0.8737173306,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Mo-O,6.0,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Mo-O +mp-2226997,BaMgMoO3,-6.7102095367,-1.842714331,0.7255699406,0.7255699406,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:Ba-Mg-Mo-O,6.0,ABCD3_hR18_160_a_a_a_b:Ba-Mg-Mo-O +mp-2224268,Ba2MgCrMoO6,-7.3825298064,-2.326433463,0.3257199928,0.3257199928,GGA+U,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Cr-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e3l:Ba-Cr-Mg-Mo-O, expected Ba2MgCrMoO16 to be Ba2MgCrMoO6" +mp-2217938,Ba2MgCrMoO6,-7.3760723227,-2.3199759793,0.3321774765,0.3321774765,GGA+U,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Cr-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_3b:Ba-Cr-Mg-Mo-O, expected Ba2MgCrMoO9 to be Ba2MgCrMoO6" +mp-2242301,Ba2MgCrMoO6,-7.4357752445,-2.3796789011,0.2724745547,0.2724745547,GGA+U,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Cr-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a3b:Ba-Cr-Mg-Mo-O, expected Ba2MgCrMoO8 to be Ba2MgCrMoO6" +mp-1016560,BaMg6Cr,-2.3680991425,0.2786136962,0.333851785,0.333851785,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Cr-Mg, expected BaMg12Cr to be BaMg6Cr" +mp-1016604,BaMg6Cr,-2.3747994419,0.2719133969,0.3271514856,0.3271514856,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Cr-Mg, expected BaMg12Cr to be BaMg6Cr" +mp-1038690,BaMg30CrO32,-6.3130189887,-2.9087305095,0.1082002667,0.1082002667,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Cr-Mg-O, expected BaMg90CrO80 to be BaMg30CrO32" +mp-1038639,BaMg30CrO32,-6.3319613813,-2.9276729020000003,0.0892578742,0.0892578742,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Cr-Mg-O, expected BaMg110CrO72 to be BaMg30CrO32" +mp-1044283,BaMgCr4O8,-8.0237399914,-2.1876718086,0.4311874816,0.4311874816,GGA+U,P-31m,AB4CD8_hP14_162_a_h_b_ck:Ba-Cr-Mg-O,14.0,AB4CD8_hP14_162_a_h_b_ck:Ba-Cr-Mg-O +mp-2218462,Ba2Mg(MoO4)2,-7.6202945669,-2.4892915023,0.1853282438,0.1853282438,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Ba-Mg-Mo-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Ba-Mg-Mo-O +mp-1033429,BaMg6CrO8,-6.2986755781,-2.5019748031,0.4036274038,0.4036274038,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Cr-Mg-O, expected BaMg6CrO12 to be BaMg6CrO8" +mp-1033461,BaMg6CrO8,-6.3045489025,-2.5078481275,0.3977540794,0.3977540794,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Cr-Mg-O, expected BaMg6CrO12 to be BaMg6CrO8" +mp-1205825,Ba2MgMoO6,-7.432841029,-2.8364397982,0.0,-0.0675356945,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mg-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mg-Mo-O +mp-1044540,BaMg(MoO2)4,-7.9123686421,-1.7355568479,0.4888216205,0.4888216205,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Mg-Mo-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Mg-Mo-O +mp-557755,Ba3Cr2MoO9,-8.0534347367,-2.6915101852000003,0.0,-0.0282836828,GGA+U,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Cr-Mo-O,30.0,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Cr-Mo-O +mp-1026607,BaMg14Mo,-2.0045344725,0.1934996369,0.2326720259,0.2326720259,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Mo, expected BaMg18Mo to be BaMg14Mo" +mp-1026554,BaMg14Mo,-1.9958296138,0.2022044956,0.2413768847,0.2413768847,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Mo, expected BaMg26Mo to be BaMg14Mo" +mp-2228457,Ba3MgCr2O8,-7.3000844393,-2.5688837607,0.1716169589,0.1716169589,GGA+U,Cm,A3B2CD8_mC28_8_3a_2a_a_4a2b:Ba-Cr-Mg-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_8_3a_2a_a_4a3b:Ba-Cr-Mg-O, expected Ba3MgCr2O10 to be Ba3MgCr2O8" +mp-2230831,Ba6MgCr2O10,-6.9256664574,-2.6158184709,0.1514030491,0.1514030491,GGA+U,P1,A6B2CD10_aP19_1_6a_2a_a_10a:Ba-Cr-Mg-O,19.0,A6B2CD10_aP19_1_6a_2a_a_10a:Ba-Cr-Mg-O +mp-1026563,BaMg14Cr,-1.9765297856,0.1469666588,0.1872704097,0.1872704097,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Cr-Mg, expected BaMg18Cr to be BaMg14Cr" +mp-1026546,BaMg14Cr,-1.966098865,0.1573975794,0.1977013304,0.1977013304,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Cr-Mg, expected BaMg26Cr to be BaMg14Cr" +mp-1079901,Ba2CrMoO6,-8.062648445,-2.6609704722,0.0,-0.0129479655,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Cr-Mo-O,20.0,"Invalid WP multiplicities - A2BCD6_tI20_139_d_a_b_2e2h:Ba-Cr-Mo-O, expected Ba2CrMoO12 to be Ba2CrMoO6" +mp-1016599,BaMg6Mo,-2.395579915,0.4002082537,0.4554463425,0.4554463425,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Mo, expected BaMg12Mo to be BaMg6Mo" +mp-1016639,BaMg6Mo,-2.5345322163,0.2612559525,0.3164940412,0.3164940412,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ba-Mg-Mo,8.0,AB6C_tP8_123_a_fk_c:Ba-Mg-Mo +mp-1034474,BaMg14CrO16,-6.3122697559,-2.7771771781,0.202644075,0.202644075,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Cr-Mg-O, expected BaMg18CrO20 to be BaMg14CrO16" +mp-1034435,BaMg14CrO16,-6.3092021338,-2.7741095559,0.2057116972,0.2057116972,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Cr-Mg-O, expected BaMg30CrO32 to be BaMg14CrO16" +mp-774832,Ba10Li2Bi4O21,-6.2187293491,-2.3741343601,0.0,-0.0172681286,GGA,Pmc2_1,A10B4C2D21_oP74_26_5a5b_2a2b_ab_4a5b6c:Ba-Bi-Li-O,74.0,A10B4C2D21_oP74_26_10a10b_4a4b_2a2b_10a8b12c:Ba-Bi-Li-O +mp-1214461,Ba4Li(BiO4)3,-6.2276484165,-2.2043206889,0.0,-0.0218406963,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Bi-Li-O,20.0,A4B3CD12_cI40_229_c_b_a_de:Ba-Bi-Li-O +mp-1095231,Ba3(LiBi)4,-3.4023061645,-0.7882540912,0.0,-0.0534954251,GGA,Immm,A3B4C4_oI22_71_af_eh_n:Ba-Bi-Li,11.0,A3B4C4_oI22_71_af_eh_n:Ba-Bi-Li +mp-775429,Ba4LiBi3O11,-6.1956807726,-2.2209509916,0.0471805934,0.0471805934,GGA,Amm2,A4B3CD11_oC38_38_f_a2b_a_a2b2cde:Ba-Bi-Li-O,19.0,"Invalid WP multiplicities - A4B3CD11_oC38_38_f_a2b_a_a2b2c2d2e:Ba-Bi-Li-O, expected Ba4Li(BiO5)3 to be Ba4LiBi3O11" +mp-1228874,Ba10Nb3Bi7O30,-7.097580349,-2.6020253537,0.002506542,0.002506542,GGA,P-1,A10B7C3D30_aP50_2_5i_b3i_ci_15i:Ba-Bi-Nb-O,50.0,"Invalid WP multiplicities - A10B7C3D30_aP50_2_10i_b4i_c2i_30i:Ba-Bi-Nb-O, expected Ba20Nb5(Bi3O20)3 to be Ba10Nb3Bi7O30" +mp-1522600,BaLiNbBiO6,-7.153624925,-2.4086425006,0.18600283,0.18600283,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Li-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Li-Nb-O +mp-1147642,Ba2NbBiO6,-7.587778112,-2.8417904802,0.0030297304,0.0030297304,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:Ba-Bi-Nb-O,10.0,A2BCD6_hR30_148_c_a_b_f:Ba-Bi-Nb-O +mp-774715,Ba4LiNb3O12,-8.1686118965,-3.2061617824,0.0012317102,-0.0177979615,GGA,Pnma,A4BC3D12_oP80_62_4c_c_3c_ab4c3d:Ba-Li-Nb-O,80.0,"Invalid WP multiplicities - A4BC3D12_oP80_62_14c_c_10c_3a3b12c19d:Ba-Li-Nb-O, expected Ba14LiNb10O56 to be Ba4LiNb3O12" +mp-18274,Ba4LiNb3O12,-8.1698436067,-3.2073934927,0.0,-0.0190296718,GGA,P6_3mc,A4BC3D12_hP40_186_a3b_a_a2b_4c:Ba-Li-Nb-O,40.0,"Invalid WP multiplicities - A4BC3D12_hP40_186_a3b_a_a2b_6c:Ba-Li-Nb-O, expected Ba4LiNb3O18 to be Ba4LiNb3O12" +mp-559052,LiNb3(Bi2O7)2,-7.7501055325,-2.4397220569,0.0,-0.0205228122,GGA,C2/c,A4BC3D14_mC88_15_2f_e_ef_7f:Bi-Li-Nb-O,44.0,"Invalid WP multiplicities - A4BC3D14_mC88_15_7f_e_2e2f_25f:Bi-Li-Nb-O, expected LiNb6(Bi7O25)2 to be LiNb3(Bi2O7)2" +mp-773072,Ba8LiNb7O24,-8.3417883812,-3.1745287128,0.0189270021,0.0189270021,GGA,P3m1,A8BC7D24_hP40_156_2a3b3c_a_3a2b2c_8d:Ba-Li-Nb-O,40.0,"Invalid WP multiplicities - A8BC7D24_hP40_156_2a3b3c_a_3a2b2c_24d:Ba-Li-Nb-O, expected Ba8LiNb7O72 to be Ba8LiNb7O24" +mp-555867,BaNb2Bi2O9,-7.9625700821,-2.6538013906,0.0052863165,0.0052863165,GGA,Cmc2_1,AB2C2D9_oC56_36_a_b_b_a4b:Ba-Bi-Nb-O,28.0,"Invalid WP multiplicities - AB2C2D9_oC56_36_a_b_b_a10b:Ba-Bi-Nb-O, expected BaNb2Bi2O21 to be BaNb2Bi2O9" +mp-1228225,Ba3Ta4TiO15,-9.3447999952,-3.4628931245,0.0,-0.0027213375,GGA,Pc,A3B15C4D_mP46_7_3a_15a_4a_a:Ba-O-Ta-Ti,46.0,"Invalid WP multiplicities - A3B15C4D_mP46_7_4a_25a_6a_a:Ba-O-Ta-Ti, expected Ba4Ta6TiO25 to be Ba3Ta4TiO15" +mp-1228430,Ba3Ta4TiO15,-9.3418379176,-3.4599310469,0.0029620776,0.0002407401,GGA,P4/mbm,A3B15C4D_tP46_127_ag_dhi2j_j_c:Ba-O-Ta-Ti,46.0,A3B15C4D_tP46_127_ag_dhi2j_j_c:Ba-O-Ta-Ti +mp-1228610,Ba2EuTa3Ti2O15,-9.509863063,-3.437706573,0.0201259771,0.0201259771,GGA,Pbam,A2BC15D3E2_oP46_55_g_c_a2g5h_bh_h:Ba-Eu-O-Ta-Ti,46.0,A2BC15D3E2_oP46_55_g_c_a2g5h_bh_h:Ba-Eu-O-Ta-Ti +mp-21348,Ba2EuTaO6,-8.90078028,-3.3374941222,0.0,-0.0200727121,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Eu-O-Ta,10.0,"Invalid WP multiplicities - A2BC6D_tI20_87_d_a_2e3h_b:Ba-Eu-O-Ta, expected Ba2EuTaO16 to be Ba2EuTaO6" +mp-1214621,Ba3Ta2Ti6O21,-9.0158184414,-3.368134219,0.0331632272,0.0331632272,GGA,P6_3/mcm,A3B21C2D6_hP64_193_g_gkl_d_k:Ba-O-Ta-Ti,64.0,A3B21C2D6_hP64_193_g_gkl_d_k:Ba-O-Ta-Ti +mp-1518538,BaEuTi4O12,-8.6158084211,-2.8870190132,0.3128538006,0.3128538006,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Eu-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Eu-O-Ti, expected BaEuTi4O16 to be BaEuTi4O12" +mp-773060,Ba6Ta9Ti7O42,-9.4407178156,-3.4834800297,0.0,-0.0067847263,GGA,Cm,A6B42C9D7_mC128_8_2a2b_6a18b_a4b_3a2b:Ba-O-Ta-Ti,64.0,"Invalid WP multiplicities - A6B42C9D7_mC128_8_2a3b_6a36b_a7b_3a3b:Ba-O-Ta-Ti, expected Ba8Ta15Ti9O78 to be Ba6Ta9Ti7O42" +mp-1228489,Ba3Ta4Ti4O21,-9.3889665919,-3.4936395187,0.0,-0.015757603,GGA,C2/c,A3B21C4D4_mC128_15_ef_e10f_2f_2f:Ba-O-Ta-Ti,64.0,"Invalid WP multiplicities - A3B21C4D4_mC128_15_2e2f_2e37f_2f_8f:Ba-O-Ta-Ti, expected Ba3Ta2Ti8O38 to be Ba3Ta4Ti4O21" +mp-15155,Na2Sm2Ti3O10,-8.3699172571,-3.3560592559,0.0518198941,0.0518198941,GGA,I4/mmm,A2B10C2D3_tI34_139_e_c2eg_e_ae:Na-O-Sm-Ti,17.0,"Invalid WP multiplicities - A2B10C2D3_tI34_139_e_2c2eg_e_ae:Na-O-Sm-Ti, expected Na2Sm2Ti3O12 to be Na2Sm2Ti3O10" +mp-1518343,NaSmTi4O12,-8.2899519706,-2.9019884133,0.1749332255,0.1749332255,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Na-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Na-O-Sm-Ti, expected NaSmTi4O16 to be NaSmTi4O12" +mp-1219208,Sm3Ti4CoO14,-8.9003244414,-3.3503387039,0.0699549836,0.0699549836,GGA+U,R-3m,AB14C3D4_hR66_166_a_c2h_d_be:Co-O-Sm-Ti,22.0,"Invalid WP multiplicities - AB14C3D4_hR66_166_a_c9h_d_be:Co-O-Sm-Ti, expected Sm3Ti4CoO56 to be Sm3Ti4CoO14" +mp-9489,NaSmTiO4,-8.1699518671,-3.3523292543,0.0144760099,0.0144760099,GGA,P4/nmm,AB4CD_tP14_129_c_2cf_c_c:Na-O-Sm-Ti,14.0,AB4CD_tP14_129_c_2cf_c_c:Na-O-Sm-Ti +mp-1223748,InGaCuO4,-5.9597962214,-1.7218331832,0.0718567046,0.0718567046,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Cu-Ga-In-O,7.0,ABCD4_hR21_160_a_a_a_4a:Cu-Ga-In-O +mp-2228668,MgGa4(CuO4)2,-5.8066798907,-1.7077074127,0.3704243157,0.3704243157,GGA,C2/m,A2B4CD8_mC30_12_e_aci_b_2ij:Cu-Ga-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_f_bci_a_3i4j:Cu-Ga-Mg-O, expected MgGa4(CuO11)2 to be MgGa4(CuO4)2" +mp-2228677,MgGa4(CuO4)2,-5.7884743507,-1.6895018727000002,0.3886298557,0.3886298557,GGA,C2/m,A2B4CD8_mC30_12_ac_ei_b_2ij:Cu-Ga-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_bc_fi_a_4i3j:Cu-Ga-Mg-O, expected MgGa4(CuO10)2 to be MgGa4(CuO4)2" +mp-2228646,MgGa4(CuO4)2,-5.823023616,-1.724051138,0.3540805903,0.3540805903,GGA,Imm2,A2B4CD8_oI30_44_c_abd_a_2c2d:Cu-Ga-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_c_abd_a_4c4d:Cu-Ga-Mg-O, expected MgGa4(CuO8)2 to be MgGa4(CuO4)2" +mp-2228613,MgGa4(CuO4)2,-5.943614428,-1.84464195,0.2334897783,0.2334897783,GGA,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Cu-Ga-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_ad_b_2c2h:Cu-Ga-Mg-O, expected MgGa4(CuO8)2 to be MgGa4(CuO4)2" +mp-2228612,MgGa4(CuO4)2,-5.4307216073,-1.3317491293,0.746382599,0.746382599,GGA,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Cu-Ga-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_cF60_216_ac_e_b_3e:Cu-Ga-Mg-O, expected MgGa4(CuO6)2 to be MgGa4(CuO4)2" +mp-1096679,Mg2InGa,-0.926532145,1.3185528181,1.4234997992,1.4234997992,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-In-Mg,4.0,ABC2_oI8_71_a_b_e:Ga-In-Mg +mp-1222146,MgIn2Ga2CuO8,-6.1451081743,-2.0856398946,0.0316988582,0.0316988582,GGA,Pm,AB2C2DE8_mP14_6_a_2b_ab_a_4a4b:Cu-Ga-In-Mg-O,14.0,AB2C2DE8_mP14_6_a_2b_ab_a_4a4b:Cu-Ga-In-Mg-O +mp-1095863,MgInCu2,-1.7963881225,1.3412061575,1.4481878525,1.4481878525,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-In-Mg,4.0,A2BC_oI8_71_e_a_b:Cu-In-Mg +mp-1221955,MgInGaO4,-6.2837420771,-2.4027685561,0.0160857982,0.0160857982,GGA,R3m,ABCD4_hR21_160_a_a_a_4a:Ga-In-Mg-O,,ABCD4_hR21_160_a_a_a_4a:Ga-In-Mg-O +mp-30587,MgInCu4,-3.567858765,-0.1097270217,0.0,-0.0352950936,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Mg,6.0,A4BC_cF24_216_e_a_c:Cu-In-Mg +mp-1214191,Ca3MnCuO6,-6.9734230961,-2.5226818353,0.0106979133,0.0106979133,GGA+U,P2_1/c,A3BCD6_mP44_14_3e_e_e_6e:Ca-Cu-Mn-O,44.0,"Invalid WP multiplicities - A3BCD6_mP44_14_6e_e_e_10e:Ca-Cu-Mn-O, expected Ca6MnCuO10 to be Ca3MnCuO6" +mp-1227759,Ca3NdMn4O12,-7.973189586,-2.6335259472,0.011488526,0.011488526,GGA+U,Pm,A3B4CD12_mP20_6_a2b_2c_a_2a2b4c:Ca-Mn-Nd-O,20.0,"Invalid WP multiplicities - A3B4CD12_mP20_6_a2b_4c_a_2a2b8c:Ca-Mn-Nd-O, expected Ca3NdMn8O20 to be Ca3NdMn4O12" +mp-1286204,CaMn4(CuO4)3,-7.2357439505,-1.7201666708,0.0274459095,0.0274459095,GGA+U,C2/m,AB3C4D12_mC40_12_a_bcd_ef_2i2j:Ca-Cu-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mC40_12_a_bcd_2ef_3i5j:Ca-Cu-Mn-O, expected CaMn6Cu3O26 to be CaMn4(CuO4)3" +mp-510570,CaMn4(CuO4)3,-7.242717973,-1.7271406933,0.020471887,0.020471887,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Mn-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Mn-O +mp-1521595,CaNdMn4O12,-7.6298416056,-1.919726438,0.264249979,0.264249979,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ca-Mn-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ca-Mn-Nd-O, expected CaNdMn4O18 to be CaNdMn4O12" +mp-1227273,CaNd2(CuO2)4,-6.6408756387,-2.140060231,0.0802211083,0.0802211083,GGA,Ccce,AB4C2D8_oC60_68_a_2h_g_2i:Ca-Cu-Nd-O,30.0,AB4C2D8_oC60_68_a_2h_g_2i:Ca-Cu-Nd-O +mp-1227690,Ca3NdMn2O8,-7.7838630843,-2.877971131,0.0337537104,0.0337537104,GGA+U,P4mm,A3B2CD8_tP14_99_a2b_ab_a_2a2b2c:Ca-Mn-Nd-O,14.0,"Invalid WP multiplicities - A3B2CD8_tP14_99_a2b_ab_a_2a2b4c:Ca-Mn-Nd-O, expected Ca3NdMn2O12 to be Ca3NdMn2O8" +mp-1220123,NdMn5(CuO6)2,-7.8835106155,-1.9766655271,0.0318723211,0.0318723211,GGA+U,Immm,A2B5CD12_oI40_71_ab_ck_d_lmn:Cu-Mn-Nd-O,20.0,A2B5CD12_oI40_71_ab_ck_d_lmn:Cu-Mn-Nd-O +mp-744199,CaNdMn2O6,-8.2276201902,-2.7498291738,0.0039233884,0.0039233884,GGA+U,P1,AB2CD6_aP60_1_6a_12a_6a_36a:Ca-Mn-Nd-O,60.0,AB2CD6_aP60_1_6a_12a_6a_36a:Ca-Mn-Nd-O +mp-720198,CaNdMn2O6,-8.2298178324,-2.752026816,0.0017257462,0.0017257462,GGA+U,Pm,AB2CD6_mP80_6_ab3c_8c_ab3c_2a2b22c:Ca-Mn-Nd-O,80.0,"Invalid WP multiplicities - AB2CD6_mP80_6_ab4c_12c_ab4c_2a2b39c:Ca-Mn-Nd-O, expected Ca5Nd5Mn12O41 to be CaNdMn2O6" +mp-532822,CaNdMn2O6,-8.2245909033,-2.7467998869,0.0069526752,0.0069526752,GGA+U,Pm,AB2CD6_mP60_6_3a3b_6c_3a3b_6a6b12c:Ca-Mn-Nd-O,60.0,AB2CD6_mP60_6_3a3b_6c_3a3b_6a6b12c:Ca-Mn-Nd-O +mp-1227144,CaNdMn2O6,-8.2291768155,-2.7513857991,0.0023667631,0.0023667631,GGA+U,Pmc2_1,AB2CD6_oP20_26_a_c_b_ab2c:Ca-Mn-Nd-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_26_a_c_b_ab3c:Ca-Mn-Nd-O, expected CaNdMn2O8 to be CaNdMn2O6" +mp-1227166,CaNdMn2O6,-8.2298161635,-2.7520251471,0.0017274151,0.0017274151,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Mn-Nd-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_31_a_b_a_3a6b:Ca-Mn-Nd-O, expected CaNdMn2O15 to be CaNdMn2O6" +mp-1209905,NdMn4(CuO4)3,-7.497193768,-1.8434891107,0.0271587903,0.0271587903,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Mn-Nd-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Mn-Nd-O +mp-1227174,CaNd3Mn4O12,-8.475166384,-2.85924799,0.0014960233,0.0014960233,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Ca-Mn-Nd-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Ca-Mn-Nd-O, expected CaNd3Mn8O20 to be CaNd3Mn4O12" +mp-1227543,CaNd2Mn3O9,-8.3961205563,-2.8262446215,0.0,-0.0027370229,GGA+U,Pnma,AB3C2D9_oP60_62_c_ad_2c_3c3d:Ca-Mn-Nd-O,60.0,"Invalid WP multiplicities - AB3C2D9_oP60_62_c_3a4d_7c_11c21d:Ca-Mn-Nd-O, expected CaNd7Mn11O53 to be CaNd2Mn3O9" +mp-1518012,Sr2DyFeO6,-7.306486735,-2.6928940126,0.0771546305,0.0771546305,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Dy-Fe-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Dy-Fe-O-Sr +mp-1189224,DyFe4(CuO4)3,-7.154974205,-1.6477363937,0.0399284044,0.0399284044,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Dy-Fe-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Dy-Fe-O +mp-1225619,DyFeCu,-5.7813055917,-0.0559673517,0.1200078394,0.1200078394,GGA,Imma,ABC_oI12_74_a_e_c:Cu-Dy-Fe,6.0,ABC_oI12_74_a_e_c:Cu-Dy-Fe +mp-1522927,SrDy(FeO3)4,-7.1814872906,-1.6516745312,0.2348081383,0.2348081383,GGA+U,Cmmm,AB4C12D_oC36_65_a_m_efno_c:Dy-Fe-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_65_a_m_2e2fno_c:Dy-Fe-O-Sr, expected SrDy(FeO4)4 to be SrDy(FeO3)4" +mp-1218289,SrDy2Fe2O7,-7.9182535642,-2.7124260198,0.2122944755,0.2122944755,GGA+U,I4mm,A2B2C7D_tI24_107_2a_2a_3a2b_a:Dy-Fe-O-Sr,12.0,A2B2C7D_tI24_107_2a_2a_3a2b_a:Dy-Fe-O-Sr +mp-1043304,Sr2FeCu2O7,-6.2554714396,-1.69928457,0.1303263348,0.1303263348,GGA+U,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Cu-Fe-O-Sr,24.0,A2BC7D2_oI48_46_c_b_b3c_c:Cu-Fe-O-Sr +mp-17687,SrDy2CuO5,-7.5042455814,-3.0891658748,0.0628525492,0.0628525492,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Cu-Dy-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Cu-Dy-O-Sr, expected SrDy4CuO5 to be SrDy2CuO5" +mp-1105138,SrFe4(CuO4)3,-6.873637243,-1.5122641011,0.0,-0.0030256333,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Sr,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Sr +mp-1218184,SrLaAlO4,-7.8585760914,-3.5503144867,0.0166685206,0.0166685206,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-La-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-La-O-Sr +mp-1218238,SrLa2Al2O7,-8.0948339183,-3.6215438932,0.0201151979,0.0201151979,GGA,I4/mmm,A2B2C7D_tI24_139_e_e_aeg_b:Al-La-O-Sr,12.0,A2B2C7D_tI24_139_e_e_aeg_b:Al-La-O-Sr +mp-1037969,SrMg30AlO32,-6.2960433736,-2.987644787,0.0680457635,0.0680457635,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Sr, expected SrMg90AlO80 to be SrMg30AlO32" +mp-1037957,SrMg30AlO32,-6.2917900336,-2.983391447,0.0722991035,0.0722991035,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Sr, expected SrMg110AlO72 to be SrMg30AlO32" +mp-1208710,Sr4Mg3Al5,-2.7070481683,-0.1831570756,0.0195433046,0.0195433046,GGA,P6_3/mmc,A5B3C4_hP24_194_fh_g_ef:Al-Mg-Sr,24.0,A5B3C4_hP24_194_fh_g_ef:Al-Mg-Sr +mp-1096613,SrLaMg2,-0.69335291,1.7631622546,1.8569707946,1.8569707946,GGA,Immm,AB2C_oI8_71_a_e_b:La-Mg-Sr,4.0,AB2C_oI8_71_a_e_b:La-Mg-Sr +mp-1223152,LaMgAl11O19,-7.897627413,-3.4687303255,0.0,-0.00665657,GGA,P6_3mc,A11BCD19_hP64_186_2a3b2c_b_b_2a2b5c:Al-La-Mg-O,64.0,"Invalid WP multiplicities - A11BCD19_hP64_186_2a5b4c_b_b_4a4b9c:Al-La-Mg-O, expected LaMgAl19O35 to be LaMgAl11O19" +mp-1033028,SrMg6AlO8,-6.1574265225,-2.7442853179,0.3163559859,0.3163559859,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Sr, expected SrMg6AlO12 to be SrMg6AlO8" +mp-1033056,SrMg6AlO8,-6.1234572906,-2.710316086,0.3503252177,0.3503252177,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Sr, expected SrMg6AlO12 to be SrMg6AlO8" +mp-1036505,SrMg14AlO16,-6.2487268737,-2.9054140811,0.1519267204,0.1519267204,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Sr, expected SrMg18AlO20 to be SrMg14AlO16" +mp-1036522,SrMg14AlO16,-6.2396280991,-2.8963153065,0.1610254951,0.1610254951,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Sr, expected SrMg30AlO32 to be SrMg14AlO16" +mp-1187115,Sr(Mg4Al3)4,-2.5258521207,-0.0347871478,0.0276684515,0.0276684515,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Sr,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Sr, expected SrMg49Al48 to be Sr(Mg4Al3)4" +mp-1187106,Sr(Mg4Al3)4,-2.530738939,-0.0396739661,0.0227816332,0.0227816332,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Sr,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c4g_a:Al-Mg-Sr, expected Sr(Mg16Al3)4 to be Sr(Mg4Al3)4" +mp-1218241,SrLa3MgAlO8,-7.9580976436,-3.5711776194,0.0325005243,0.0325005243,GGA,Amm2,AB3CD8E_oC28_38_a_a2b_b_2a2bf_a:Al-La-Mg-O-Sr,14.0,AB3CD8E_oC28_38_a_a2b_b_2a2bf_a:Al-La-Mg-O-Sr +mp-1021158,SrLaMg6,-1.96895457,0.0594430373,0.1646313973,0.1646313973,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Sr, expected SrLaMg12 to be SrLaMg6" +mp-1099316,SrLaMg6,-1.9643274725,0.0640701348,0.1692584948,0.1692584948,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Sr,8.0,AB6C_oC16_38_a_abde_b:La-Mg-Sr +mp-997590,La8MgAl7O24,-8.2819989122,-3.631301493,0.0282500654,0.0282500654,GGA,Pm-3m,A7B8CD24_cP40_221_acd_g_b_efh:Al-La-Mg-O,40.0,"Invalid WP multiplicities - A7B8CD24_cP40_221_a2c2d_g_b_5e5f6h:Al-La-Mg-O, expected La8MgAl13O132 to be La8MgAl7O24" +mp-1026779,SrLaMg14,-1.7666597562000002,0.0476790724,0.1115501784,0.1115501784,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Sr, expected SrLaMg18 to be SrLaMg14" +mp-1026763,SrLaMg14,-1.7793616938,0.0349771349,0.0988482409,0.0988482409,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Sr, expected SrLaMg26 to be SrLaMg14" +mp-1028257,SrMg14Al,-1.7078789556,0.0320579183,0.0870571275,0.0870571275,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Sr, expected SrMg18Al to be SrMg14Al" +mp-1028250,SrMg14Al,-1.6949073912,0.0450294827,0.1000286919,0.1000286919,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Sr, expected SrMg26Al to be SrMg14Al" +mp-1023290,SrMg6Al,-1.8170664163,0.0625272817,0.1469904994,0.1469904994,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Sr, expected SrMg12Al to be SrMg6Al" +mp-1099107,SrMg6Al,-1.8228098488,0.0567838492,0.1412470669,0.1412470669,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:Al-Mg-Sr +mp-1208806,Sr2Mg3Al,-2.1011519233,-0.1135847756,0.0229429039,0.0229429039,GGA,P6_3/mmc,AB3C2_hP24_194_f_gh_ef:Al-Mg-Sr,24.0,AB3C2_hP24_194_f_gh_ef:Al-Mg-Sr +mp-1218220,SrLaAl3O7,-7.9562255304,-3.5821381115,0.0,-0.0125837319,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Al-La-O-Sr,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Al-La-O-Sr, expected SrLaAl5O19 to be SrLaAl3O7" +mp-1215762,Zr3Ti2(PbO3)5,-8.1517276096,-2.7838215319,0.0346585061,0.0346585061,GGA,Cm,A15B5C2D3_mC50_8_5a5b_5a_2a_3a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C2D3_mC50_8_5a10b_5a_2a_3a:O-Pb-Ti-Zr, expected Zr3Ti2(PbO5)5 to be Zr3Ti2(PbO3)5" +mp-1215889,Zr3Ti2(PbO3)5,-8.1544299916,-2.7865239139,0.0319561241,0.0319561241,GGA,Cm,A15B5C2D3_mC50_8_5a5b_5a_2a_3a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C2D3_mC50_8_5a10b_5a_2a_3a:O-Pb-Ti-Zr, expected Zr3Ti2(PbO5)5 to be Zr3Ti2(PbO3)5" +mp-1215813,Zr3Ti2(PbO3)5,-8.148702162,-2.7807960843,0.0376839537,0.0376839537,GGA,R3m,A15B5C2D3_hR75_160_5b_5a_2a_3a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C2D3_hR75_160_15b_5a_2a_3a:O-Pb-Ti-Zr, expected Zr3Ti2(PbO9)5 to be Zr3Ti2(PbO3)5" +mp-2210645,MgTiPbO3,-7.0411497483,-2.3664022033,0.4417128092,0.4417128092,GGA,Cm,AB3CD_mC12_8_a_ab_a_a:Mg-O-Pb-Ti,6.0,AB3CD_mC12_8_a_ab_a_a:Mg-O-Pb-Ti +mp-2226705,MgTiPbO3,-6.9704955983,-2.2957480533,0.5123669592,0.5123669592,GGA,Pmm2,AB3CD_oP6_25_a_abd_c_b:Mg-O-Pb-Ti,6.0,AB3CD_oP6_25_a_abd_c_b:Mg-O-Pb-Ti +mp-2227436,MgTiPbO3,-7.05707129,-2.3823237449,0.4257912675,0.4257912675,GGA,P4mm,AB3CD_tP6_99_a_bc_a_b:Mg-O-Pb-Ti,6.0,AB3CD_tP6_99_a_bc_a_b:Mg-O-Pb-Ti +mp-1215414,ZrTi4(PbO3)5,-8.0566604476,-2.740931059,0.019464395,0.019464395,GGA,Cmm2,A15B5C4D_oC50_35_ac2d2f_b2d_2d_a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C4D_oC50_35_a2c4d5f_b3d_2d_a:O-Pb-Ti-Zr, expected ZrTi4Pb7O33 to be ZrTi4(PbO3)5" +mp-1215328,ZrTi2(PbO3)3,-8.08314884,-2.7500272217,0.0297297603,0.0297297603,GGA,Cm,A9B3C2D_mC30_8_3a3b_3a_2a_a:O-Pb-Ti-Zr,15.0,"Invalid WP multiplicities - A9B3C2D_mC30_8_3a6b_3a_2a_a:O-Pb-Ti-Zr, expected ZrTi2(PbO5)3 to be ZrTi2(PbO3)3" +mp-1215409,ZrTi2(PbO3)3,-8.0915629573,-2.758441339,0.0213156429,0.0213156429,GGA,Pmm2,A9B3C2D_oP15_25_abc2ef_df_e_a:O-Pb-Ti-Zr,15.0,A9B3C2D_oP15_25_abc2ef_df_e_a:O-Pb-Ti-Zr +mp-2240071,MgZrTi(PbO3)2,-7.5557648518,-2.5422285696,0.2969999017,0.2969999017,GGA,Pm,AB6C2DE_mP11_6_a_ab2c_ab_b_a:Mg-O-Pb-Ti-Zr,11.0,"Invalid WP multiplicities - AB6C2DE_mP11_6_a_ab4c_ab_b_a:Mg-O-Pb-Ti-Zr, expected MgZrTi(PbO5)2 to be MgZrTi(PbO3)2" +mp-2240729,MgZrTi(PbO3)2,-7.5223490373,-2.5088127551,0.3304157163,0.3304157163,GGA,Cm,AB6C2DE_mC22_8_a_4ab_b_a_a:Mg-O-Pb-Ti-Zr,11.0,"Invalid WP multiplicities - AB6C2DE_mC22_8_a_4a2b_b_a_a:Mg-O-Pb-Ti-Zr, expected MgZrTi(PbO4)2 to be MgZrTi(PbO3)2" +mp-2222785,MgZrTi(PbO3)2,-7.5566396045,-2.5431033223,0.296125149,0.296125149,GGA,Pmm2,AB6C2DE_oP11_25_a_bci_ad_b_c:Mg-O-Pb-Ti-Zr,11.0,AB6C2DE_oP11_25_a_bci_ad_b_c:Mg-O-Pb-Ti-Zr +mp-1215966,Zr3Ti(PbO3)4,-8.196286819000001,-2.8088144829,0.0314472741,0.0314472741,GGA,P1,A12B4CD3_aP20_1_12a_4a_a_3a:O-Pb-Ti-Zr,20.0,A12B4CD3_aP20_1_12a_4a_a_3a:O-Pb-Ti-Zr +mp-1026709,SrMg14B,-1.7552503187,0.1680500515,0.2329126874,0.2329126874,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Sr, expected SrMg18B to be SrMg14B" +mp-1026560,SrMg14B,-1.6945918419,0.2287085284,0.2935711643,0.2935711643,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Sr, expected SrMg26B to be SrMg14B" +mp-1020634,SrMgB2O5,-7.7206552475,-3.1226551807,0.0,-0.0052111406,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:B-Mg-O-Sr,36.0,A2BC5D_mP36_14_2e_e_5e_e:B-Mg-O-Sr +mp-1043629,ZnSi4WO10,-8.0223204619,-2.6856933948,0.1854369577,0.1854369577,GGA+U,P4/ncc,A10B4CD_tP64_130_f2g_g_c_b:O-Si-W-Zn,64.0,"Invalid WP multiplicities - A10B4CD_tP64_130_f5g_g_c_b:O-Si-W-Zn, expected ZnSi4WO22 to be ZnSi4WO10" +mp-1163950,Zn3Si3(WO6)2,-7.5201729169,-2.2535874211,0.2252821045,0.2252821045,GGA+U,Ia-3d,A12B3C2D3_cI160_230_h_d_a_c:O-Si-W-Zn,80.0,A12B3C2D3_cI160_230_h_d_a_c:O-Si-W-Zn +mp-1163919,ZnSi2WO6,-7.795823588,-2.3209593713,0.3120299392,0.3120299392,GGA+U,C2/c,A6B2CD_mC40_15_3f_f_e_e:O-Si-W-Zn,20.0,A6B2CD_mC40_15_3f_f_e_e:O-Si-W-Zn +mp-1041877,ZnSi2WO6,-7.743494845,-2.2686306283,0.3643586822,0.3643586822,GGA+U,Pbca,A6B2CD_oP80_61_6c_2c_c_c:O-Si-W-Zn,80.0,"Invalid WP multiplicities - A6B2CD_oP80_61_41c_8c_c_c:O-Si-W-Zn, expected ZnSi8WO41 to be ZnSi2WO6" +mp-1248780,Zn3Si4(WO7)2,-7.6796686578,-2.4339988592,0.1478049138,0.1478049138,GGA+U,C2/c,A14B4C2D3_mC92_15_7f_2f_ae_ef:O-Si-W-Zn,46.0,"Invalid WP multiplicities - A14B4C2D3_mC92_15_27f_5f_ce_2e2f:O-Si-W-Zn, expected Zn3Si5WO27 to be Zn3Si4(WO7)2" +mp-1225419,Fe4Ni5P3,-6.9789197381,-0.3938634248,0.0086888544,0.0086888544,GGA,P1,A4B5C3_aP48_1_16a_20a_12a:Fe-Ni-P,48.0,A4B5C3_aP48_1_16a_20a_12a:Fe-Ni-P +mp-1224799,Fe3NiP2,-7.4743265783,-0.4715256911,0.0,-0.0011978516,GGA,Pmc2_1,A3BC2_oP12_26_a2b_a_ab:Fe-Ni-P,12.0,A3BC2_oP12_26_a2b_a_ab:Fe-Ni-P +mp-1225067,FeNi(PS3)2,-5.505574301,-0.5160280905,0.1353141114,0.1353141114,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Fe-Ni-P-S,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Fe-Ni-P-S, expected FeNi(PS4)2 to be FeNi(PS3)2" +mp-1080653,FeNiP,-7.0223774378,-0.4678906389,0.0151532148,0.0151532148,GGA,P-62m,ABC_hP9_189_f_g_ad:Fe-Ni-P,9.0,ABC_hP9_189_f_g_ad:Fe-Ni-P +mp-571370,Fe2NiP,-7.4168718556,-0.383501454,0.0,-0.0001511123,GGA,I-4,A2BC_tI32_82_2g_g_g:Fe-Ni-P,16.0,"Invalid WP multiplicities - A2BC_tI32_82_6g_g_g:Fe-Ni-P, expected Fe6NiP to be Fe2NiP" +mp-1224713,Fe2NiP,-7.3730271456,-0.339656744,0.04384471,0.0436935977,GGA,I-4,A2BC_tI32_82_2g_g_g:Fe-Ni-P,16.0,A2BC_tI32_82_2g_g_g:Fe-Ni-P +mp-1224771,Fe3NiP4,-7.1721513137,-0.5667250217,0.0,-0.0001887864,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Fe-Ni-P,8.0,A3BC4_mP8_6_a2b_a_2a2b:Fe-Ni-P +mp-1224986,FeNiP6,-6.2490712331000005,-0.4078246169,0.0,-0.0361145012,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:Fe-Ni-P,16.0,ABC6_mC32_12_e_f_2i2j:Fe-Ni-P +mp-1225022,Fe7Ni5P4,-7.2518138831,-0.3865612646,0.0040842488,0.0040842488,GGA,P1,A7B5C4_aP16_1_7a_5a_4a:Fe-Ni-P,16.0,A7B5C4_aP16_1_7a_5a_4a:Fe-Ni-P +mp-1225371,Fe5Ni4P3,-7.1948480313,-0.3856346738,0.0073921928,0.0073921928,GGA,P1,A5B4C3_aP48_1_20a_16a_12a:Fe-Ni-P,48.0,A5B4C3_aP48_1_20a_16a_12a:Fe-Ni-P +mp-1224865,Fe3Ni3P2,-7.0852735075,-0.3881386721,0.0096509008,0.0096509008,GGA,C2,A3B3C2_mC32_5_3c_3c_2c:Fe-Ni-P,16.0,A3B3C2_mC32_5_3c_3c_2c:Fe-Ni-P +mp-1220517,Nb4Co(CS2)2,-8.4454707236,-0.9439554139,0.0297027515,0.0297027515,GGA,P2/m,A2BC4D4_mP11_10_bd_c_mn_mn:C-Co-Nb-S,11.0,"Invalid WP multiplicities - A2BC4D4_mP11_10_ce_b_2m2n_2m2n:C-Co-Nb-S, expected Nb8Co(CS4)2 to be Nb4Co(CS2)2" +mp-1094100,Nb4CoS8,-7.5163639419,-1.3159687965,0.0,-0.0101116192,GGA,P6_3/mmc,AB4C8_hP26_194_a_bh_fk:Co-Nb-S,26.0,AB4C8_hP26_194_a_bh_fk:Co-Nb-S +mp-505601,Nb3Co3C,-8.9501360411,-0.2562026129,0.0345704382,0.0345704382,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Co-Nb,28.0,AB3C3_cF112_227_c_de_f:C-Co-Nb +mp-7116,Nb3CoS6,-7.515955810999999,-1.2928625994,0.0,-0.0059869346,GGA,P6_322,AB3C6_hP20_182_c_af_i:Co-Nb-S,20.0,"Invalid WP multiplicities - AB3C6_hP20_182_c_2a2f_i:Co-Nb-S, expected Nb6CoS6 to be Nb3CoS6" +mp-1193022,Nb2CoS4,-7.2259323336,-0.9606855704,0.2706121433,0.2706121433,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Co-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Co-Nb-S +mp-1210385,Nb2CoS4,-7.1691810332,-0.90393427,0.3273634437,0.3273634437,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Co-Nb-S,28.0,AB2C4_oP28_62_c_2c_4c:Co-Nb-S +mp-1025350,Nb2CoS4,-7.0867891729,-0.8215424096,0.409755304,0.409755304,GGA,P-3m1,AB2C4_hP7_164_a_d_2d:Co-Nb-S,7.0,AB2C4_hP7_164_a_d_2d:Co-Nb-S +mp-1193683,Nb4Co2C,-9.3939673718,-0.2724643371,0.0249933097,0.0249933097,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Co-Nb,28.0,AB2C4_cF112_227_c_e_df:C-Co-Nb +mp-1105758,AlTl2OF5,-4.9650420744,-2.4122703331,0.292473401,0.292473401,GGA,Cmcm,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Tl,18.0,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Tl +mp-1182863,AlTl2OF5,-5.0185345889,-2.4657628475,0.2389808866,0.2389808866,GGA,Cmcm,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Tl,18.0,AB5CD2_oC36_63_a_cef_c_g:Al-F-O-Tl +mp-758418,Tl16O15F17,-4.5910592383,-1.5806891662,0.0,-0.0017221349,GGA,Cm,A17B15C16_mC96_8_5a6b_3a6b_4a6b:F-O-Tl,48.0,"Invalid WP multiplicities - A17B15C16_mC96_8_5a8b_3a8b_4a7b:F-O-Tl, expected Tl18O19F21 to be Tl16O15F17" +mp-685515,TlOF,-4.6114039037,-1.5378002953,0.009380306,0.009380306,GGA,Cm,ABC_mC96_8_6a5b_2a7b_4a6b:F-O-Tl,48.0,"Invalid WP multiplicities - ABC_mC96_8_6a6b_2a9b_4a9b:F-O-Tl, expected Tl11O10F9 to be TlOF" +mp-1025206,Eu2AlNO3,-9.4782263086,-2.7016348102,0.1184108118,0.1184108118,GGA,I4mm,AB2CD3_tI14_107_a_2a_a_ab:Al-Eu-N-O,7.0,AB2CD3_tI14_107_a_2a_a_ab:Al-Eu-N-O +mp-1202328,Cs2CaV2O7,-7.3540285165,-2.6381087046,0.0,-0.0713027885,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Ca-Cs-O-V,48.0,AB2C7D2_mP48_14_e_2e_7e_2e:Ca-Cs-O-V +mp-1110939,K2LiNdI6,-3.385473796,-1.6116671667,0.069774855,0.069774855,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Nd,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Nd +mp-726654,Li2Th5OF22,-6.9545754412,-4.0250300085,0.149709631,0.149709631,GGA,P42_12,A22B2CD5_tP60_90_ab5g_d_c_cef:F-Li-O-Th,60.0,A22B2CD5_tP60_90_ab5g_d_c_cef:F-Li-O-Th +mp-1113328,CsRb2YF6,-5.566434892,-3.4872533485,0.057471259,0.057471259,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-Y +mp-7886,Cs2RbYF6,-5.636057389,-3.5653890155,0.0,-0.0332646113,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Rb-Y +mp-1110944,K2PrCuI6,-3.339168471,-1.3450576291,0.1255998333,0.1255998333,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Pr,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Pr +mp-1111117,K2RbPdF6,-4.400281322,-2.4152725639,0.1005406955,0.1005406955,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Pd-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Pd-Rb +mp-14334,K2RbPdF5,-4.5152738039,-2.522095069,0.0014740044,0.0014740044,GGA,P4/mbm,A5B2CD_tP18_127_ak_g_c_b:F-K-Pd-Rb,18.0,A5B2CD_tP18_127_ak_g_c_b:F-K-Pd-Rb +mp-1205859,KRb2PdF6,-4.464199561,-2.4921772903,0.013094857,0.013094857,GGA,I4/mmm,A6BCD2_tI20_139_eh_a_b_d:F-K-Pd-Rb,10.0,A6BCD2_tI20_139_eh_a_b_d:F-K-Pd-Rb +mp-1113755,KRb2PdF6,-4.451228435,-2.4792061643,0.026065983,0.026065983,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Pd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Pd-Rb +mp-1216155,YFe6Co5W,-8.1665262823,-0.0291172378,0.0530952476,0.0530952476,GGA,Imm2,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-W-Y,13.0,A5B6CD_oI26_44_a2c_2be_a_a:Co-Fe-W-Y +mp-1216263,Y(Fe5W)2,-8.9946416385,0.0117386441,0.0421172727,0.0421172727,GGA,Immm,A10B2C_oI26_71_efhk_g_a:Fe-W-Y,13.0,A10B2C_oI26_71_efhk_g_a:Fe-W-Y +mp-1112439,K2InAuI6,-2.680814955,-0.9721587826,0.0982778085,0.0982778085,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-I-In-K +mp-1214667,As3Pb5O12F,-6.2939191429,-1.8266651396,0.0,-0.0230477944,GGA,P6_3/m,A3BC12D5_hP42_176_h_a_2hi_fh:As-F-O-Pb,42.0,A3BC12D5_hP42_176_h_a_2hi_fh:As-F-O-Pb +mp-1111369,K2TlPdF6,-4.392036286,-2.2688166204,0.0788433362,0.0788433362,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Pd-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Pd-Tl +mp-1224669,K16Tl22Pd,-2.0588253203,-0.1376864949,0.0,-0.0032674777,GGA,R32,A16BC22_hR117_155_2c2f_a_2cde2f:K-Pd-Tl,39.0,"Invalid WP multiplicities - A16BC22_hR117_155_3c3f_a_3cde3f:K-Pd-Tl, expected K24Tl30Pd to be K16Tl22Pd" +mp-975564,PuBO3,-9.517090566,-2.3596313191,0.7867055537000001,0.7867055537000001,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Pu,5.0,AB3C_cP5_221_b_c_a:B-O-Pu +mp-1192622,PuB4ClO8,-8.6267132468,-2.7404666923,0.0409645092,0.0409645092,GGA,Cc,A4BC8D_mC56_9_4a_a_8a_a:B-Cl-O-Pu,28.0,A4BC8D_mC56_9_4a_a_8a_a:B-Cl-O-Pu +mp-1207904,VZn10(B4Rh9)2,-6.0216459485,-0.4088346513,0.0260799407,0.0260799407,GGA,P4/mbm,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-V-Zn,74.0,A8B18CD10_tP74_127_2i_h4j_a_3gi:B-Rh-V-Zn +mp-865487,VZnRh2,-6.677969105,-0.40990275,0.0,-0.0246359238,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Rh-V-Zn,4.0,A2BC_cF16_225_c_a_b:Rh-V-Zn +mp-1180390,MgTe(IO)6,-3.5830822368,-0.4928025003,0.5815545055,0.5815545055,GGA,Pa-3,A6BC6D_cP56_205_d_a_d_b:I-Mg-O-Te,56.0,A6BC6D_cP56_205_d_a_d_b:I-Mg-O-Te +mp-1113849,Rb2TlVF6,-5.330555984,-2.8429068673,0.0084161657,0.0084161657,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Rb-Tl-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-Rb-Tl-V +mp-1201873,SrPb2I6O7,-3.6540961094,-0.3677331924,0.9333487647,0.9333487647,GGA,I4_1/amd,A6B7C2D_tI64_141_eg_aeh_c_b:I-O-Pb-Sr,32.0,A6B7C2D_tI64_141_eg_aeh_c_b:I-O-Pb-Sr +mp-1224503,GdY(CoB)4,-8.118788924,-0.5494457623,0.000516739,0.000516739,GGA,P4/mmm,A4B4CD_tP10_123_gh_i_a_d:B-Co-Gd-Y,10.0,"Invalid WP multiplicities - A4B4CD_tP10_123_2gh_i_c_b:B-Co-Gd-Y, expected GdY(Co2B3)2 to be GdY(CoB)4" +mp-1224937,GdYCo4,-8.3067658283,-0.1441217394,0.000275969,0.000275969,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Gd-Y,6.0,A4BC_cF24_216_e_a_c:Co-Gd-Y +mp-1202556,Tb(NO3)3,-7.1672572265,-1.4623303591,0.0,-0.1974964806,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:N-O-Tb,52.0,A3B9C_mP52_14_3e_9e_e:N-O-Tb +mp-1179259,Tb(NO5)3,-6.1821461213,-0.7166628822000001,0.2838789425,0.2838789425,GGA,P-1,A3B15C_aP38_2_3i_15i_i:N-O-Tb,38.0,A3B15C_aP38_2_3i_15i_i:N-O-Tb +mp-30291,Tb4Se3N2,-7.1369415744,-2.0593650541,0.0,-0.0462246664,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-Se-Tb,9.0,"Invalid WP multiplicities - A2B3C4_mC18_12_i_a2i_2i:N-Se-Tb, expected Tb4Se5N2 to be Tb4Se3N2" +mp-1104046,Tb3Se2NO,-7.4463137286,-2.5637273155,0.0049341943,0.0049341943,GGA,C2/m,ABC2D3_mC28_12_i_i_2i_3i:N-O-Se-Tb,14.0,ABC2D3_mC28_12_i_i_2i_3i:N-O-Se-Tb +mp-1213548,DyIO9,-5.4324693757,-0.8324374128,0.3670968765,0.3670968765,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Dy-I-O,44.0,ABC9_mP44_14_e_e_9e:Dy-I-O +mp-559476,Dy(IO3)3,-5.6095520102,-1.4905455263,0.0119474269,-0.0958959676,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Dy-I-O,52.0,"Invalid WP multiplicities - AB3C9_mP52_14_e_6e_32e:Dy-I-O, expected Dy(I3O16)2 to be Dy(IO3)3" +mp-559637,Dy(IO3)3,-5.6214994371,-1.5024929532,0.0,-0.1078433945,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Dy-I-O,52.0,"Invalid WP multiplicities - AB3C9_mP52_14_e_10e_35e:Dy-I-O, expected Dy(I2O7)5 to be Dy(IO3)3" +mp-546266,DyBi2IO4,-6.5400429788,-2.3465571919,0.0,-0.0463799245,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Dy-I-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Dy-I-O +mp-505743,GaBPbO4,-7.0442041668,-2.3003627799,0.0,-0.009936076,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:B-Ga-O-Pb,28.0,ABC4D_oP28_62_c_a_2cd_c:B-Ga-O-Pb +mp-30548,TlBF4,-5.7124070329,-2.9310819017,0.0,-0.2005918677,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-Tl,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:B-F-Tl, expected TlBF6 to be TlBF4" +mp-1208163,TiTl2BF6,-5.210918872,-2.1340144834,0.6759900233,0.6759900233,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:B-F-Ti-Tl,10.0,AB6CD2_cF40_225_a_e_b_c:B-F-Ti-Tl +mp-1192451,HoWBrO4,-8.234593515,-2.6802617614,0.0403228051,0.0403228051,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Br-Ho-O-W,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Br-Ho-O-W +mp-1194639,ThTe2WO9,-7.8434339608,-2.3681417555,0.0140136645,0.0140136645,GGA+U,I4_1/a,A9B2CD_tI208_88_9f_2f_f_f:O-Te-Th-W,104.0,A9B2CD_tI208_88_9f_2f_f_f:O-Te-Th-W +mp-1195400,ThTeWO7,-8.429588422,-2.6153768868,0.026682857,0.026682857,GGA+U,P2_1/c,A7BCD_mP40_14_7e_e_e_e:O-Te-Th-W,40.0,A7BCD_mP40_14_7e_e_e_e:O-Te-Th-W +mp-18538,TbCu(WO4)2,-8.5575037083,-2.3722251317,0.0442305579,0.0442305579,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Tb-W,24.0,"Invalid WP multiplicities - AB8CD2_aP24_2_i_10i_i_2i:Cu-O-Tb-W, expected TbCu(WO5)2 to be TbCu(WO4)2" +mp-559920,TbCu(WO4)2,-8.5477687778,-2.3624902011,0.0539654884,0.0539654884,GGA+U,P-1,AB8CD2_aP72_2_be2i_24i_3i_6i:Cu-O-Tb-W,72.0,"Invalid WP multiplicities - AB8CD2_aP72_2_be4i_48i_5i_11i:Cu-O-Tb-W, expected Tb5Cu5W11O48 to be TbCu(WO4)2" +mp-1198812,TbCu(WO4)2,-8.5635065269,-2.3782279503,0.0382277393,0.0382277393,GGA+U,P-1,AB8CD2_aP72_2_ae2i_24i_3i_6i:Cu-O-Tb-W,72.0,AB8CD2_aP72_2_ae2i_24i_3i_6i:Cu-O-Tb-W +mp-7288,Sc2SO2,-8.748418971,-3.4094658711,0.0,-0.024921676,GGA,P6_3/mmc,A2BC2_hP10_194_f_b_f:O-S-Sc,10.0,A2BC2_hP10_194_f_b_f:O-S-Sc +mp-1213159,CsSc(SO4)2,-7.1046083608,-2.5150849524,0.0,-0.027331345,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:Cs-O-S-Sc,12.0,AB8C2D_hP12_150_a_dg_d_b:Cs-O-S-Sc +mp-16800,Sc2(SO4)3,-7.5473116844,-2.5805733111,0.0,-0.2989038868,GGA,R-3c,A12B3C2_hR102_167_2f_e_c:O-S-Sc,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_3f_e_c:O-S-Sc, expected Sc2(SO6)3 to be Sc2(SO4)3" +mp-4672,TbPS4,-5.8045332263,-1.3722885472,0.0,-0.0793997344,GGA,I4_1/acd,AB4C_tI96_142_e_2g_ab:P-S-Tb,48.0,"Invalid WP multiplicities - AB4C_tI96_142_e_3g_ab:P-S-Tb, expected TbPS6 to be TbPS4" +mp-1190952,TbPS,-6.46470265,-1.7366631588,0.0,-0.059193856,GGA,Pnma,ABC_oP24_62_d_2c_2c:P-S-Tb,24.0,ABC_oP24_62_d_2c_2c:P-S-Tb +mp-554264,Ba3Tb2(PS4)4,-5.6107272165,-1.4962446198,0.0,-0.0220735605,GGA,Pbcn,A3B4C16D2_oP100_60_cd_2d_8d_d:Ba-P-S-Tb,100.0,"Invalid WP multiplicities - A3B4C16D2_oP100_60_4c4d_8d_52d_d:Ba-P-S-Tb, expected Ba6Tb(P2S13)4 to be Ba3Tb2(PS4)4" +mp-1198410,LiCeS2O9,-6.9196375015000005,-2.2553982587,0.1360600907,0.1360600907,GGA,P2_1/c,ABC9D2_mP52_14_e_e_9e_2e:Ce-Li-O-S,52.0,ABC9D2_mP52_14_e_e_9e_2e:Ce-Li-O-S +mp-568924,PrB2Rh2C,-7.5839344767,-0.5677727218,0.0,-0.0341288888,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Pr-Rh,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Pr-Rh +mp-1179918,Pr(BRh)4,-7.3020073089,-0.5291512735,0.0081090443,0.0081090443,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Pr-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Pr-Rh +mp-1219901,Pr4(BRh4)3,-7.3012275674,-0.5889384741,0.0405749108,0.0405749108,GGA,P4/mmm,A3B4C12_tP19_123_ag_2h_ef2gi:B-Pr-Rh,19.0,"Invalid WP multiplicities - A3B4C12_tP19_123_a2g_2h_2e2f2g4i:B-Pr-Rh, expected Pr4B5Rh28 to be Pr4(BRh4)3" +mp-5369,PrB2Rh3,-7.3416990217,-0.6362635372000001,0.0,-0.0263685108,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Pr-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Pr-Rh +mp-10708,PrRh3C,-7.576472724,-0.3559737525,0.0224911755,0.0224911755,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Pr-Rh,5.0,ABC3_cP5_221_b_a_c:C-Pr-Rh +mp-5200,PrBRh3,-7.381872872,-0.6712286448,0.0,-0.0709321556,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Pr-Rh,5.0,ABC3_cP5_221_b_a_c:B-Pr-Rh +mp-999287,PrRhC2,-7.907829235,-0.2571930825,0.0666937662,0.0666937662,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Pr-Rh,4.0,A2BC_oC8_38_d_b_a:C-Pr-Rh +mp-1194237,Mn3(Ni10B3)2,-6.4641431914,-0.1481042224,0.0966283647,0.0966283647,GGA,Fm-3m,A6B3C20_cF116_225_e_ac_fh:B-Mn-Ni,29.0,A6B3C20_cF116_225_e_ac_fh:B-Mn-Ni +mp-1193061,Mn2(Ni7B2)3,-6.3592737369,-0.1598512718,0.0807269484,0.0807269484,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Mn-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Mn-Ni +mp-1221366,MnNi5(BO5)2,-7.3980498681,-1.7931404599,0.0024043146,0.0024043146,GGA+U,Pmc2_1,A2BC5D10_oP36_26_2a_a_2a3b_6a4b:B-Mn-Ni-O,36.0,"Invalid WP multiplicities - A2BC5D10_oP36_26_3a_a_2a4b_9a6b:B-Mn-Ni-O, expected MnNi6(BO5)3 to be MnNi5(BO5)2" +mp-1221544,Mn5Ni(BO5)2,-8.5415018411,-2.1850638525,0.0114160521,0.0114160521,GGA+U,Pmc2_1,A2B5CD10_oP36_26_2a_3a2b_b_6a4b:B-Mn-Ni-O,36.0,"Invalid WP multiplicities - A2B5CD10_oP36_26_3a_4a2b_b_9a6b:B-Mn-Ni-O, expected Mn6Ni(BO5)3 to be Mn5Ni(BO5)2" +mp-1215955,YAlCo4,-6.6919514733,-0.2510651194,0.0505590954,0.0505590954,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Co-Y,6.0,AB4C_hP6_187_a_ck_e:Al-Co-Y +mp-16493,YAl2Co,-5.8098537925,-0.5433686504,0.0,-0.0261207423,GGA,Cmcm,A2BC_oC16_63_f_c_c:Al-Co-Y,8.0,A2BC_oC16_63_f_c_c:Al-Co-Y +mp-1191639,Y3AlCoS7,-6.7756592846,-1.8416212818,0.0483208149,0.0483208149,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Co-S-Y,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Co-S-Y +mp-1200452,Y2Al2Co15,-6.8407646958,-0.1539825478,0.0571778495,0.0571778495,GGA,P6_3/mmc,A2B15C2_hP38_194_f_gjk_bc:Al-Co-Y,38.0,A2B15C2_hP38_194_f_gjk_bc:Al-Co-Y +mp-11486,Y2(Al3Co)3,-5.4196243639,-0.5647616438,0.0,-0.0378205631,GGA,Cmcm,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Y,28.0,A9B3C2_oC56_63_cfgh_ae_g:Al-Co-Y +mp-1216384,Y9Al5S21,-6.6959084251,-2.0161493859,0.0,-0.0035719746,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Al-S-Y,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Al-S-Y, expected Y24Al5S51 to be Y9Al5S21" +mp-1204905,Y2Al3Co14,-6.7181965497,-0.208400821,0.0612224143,0.0612224143,GGA,P6_3/mmc,A3B14C2_hP38_194_g_fjk_bc:Al-Co-Y,38.0,A3B14C2_hP38_194_g_fjk_bc:Al-Co-Y +mp-1216136,Y2AlCo3,-6.6207859067,-0.2868739997,0.0484185117,0.0484185117,GGA,R-3m,AB3C2_hR18_166_a_d_c:Al-Co-Y,6.0,AB3C2_hR18_166_a_d_c:Al-Co-Y +mp-1045429,Y(CoS2)2,-6.435069165,-1.1166539977,0.1975264943,0.1975264943,GGA,Imma,A2B4C_oI28_74_ac_hi_b:Co-S-Y,14.0,"Invalid WP multiplicities - A2B4C_oI28_74_2a2c_4h3i_b:Co-S-Y, expected Y(Co2S7)2 to be Y(CoS2)2" +mp-1045396,Y(CoS2)2,-6.3008410043,-0.982425837,0.331754655,0.331754655,GGA,I4_1/amd,A2B4C_tI28_141_c_h_b:Co-S-Y,14.0,A2B4C_tI28_141_c_h_b:Co-S-Y +mp-1216079,YAlCo,-6.1384097058,-0.3649547931,0.0680617975,0.0680617975,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Co-Y,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Co-Y, expected Y3(AlCo)2 to be YAlCo" +mp-1193009,Ti3(HO2)4,-7.357224714,-2.235165386,0.3791479723,0.3791479723,GGA,C2/m,A4B8C3_mC60_12_4i_8i_3i:H-O-Ti,30.0,A4B8C3_mC60_12_4i_8i_3i:H-O-Ti +mp-1191976,Ti6H2O13,-8.7957822505,-3.1545747535,0.0307068925,0.0307068925,GGA,C2/m,A2B13C6_mC42_12_i_a6i_3i:H-O-Ti,21.0,A2B13C6_mC42_12_i_a6i_3i:H-O-Ti +mp-1097794,Ti2H2O3,-7.3737750114,-2.0285604033,0.3522502064,0.3522502064,GGA,P-3m1,A2B3C2_hP7_164_d_ad_d:H-O-Ti,7.0,A2B3C2_hP7_164_d_ad_d:H-O-Ti +mp-541860,TiAs2H4O9,-6.5560216234,-1.8494696604,0.0017488923,0.0017488923,GGA,P2_1/c,A2B4C9D_mP64_14_2e_4e_9e_e:As-H-O-Ti,64.0,A2B4C9D_mP64_14_2e_4e_9e_e:As-H-O-Ti +mp-757493,Ti11H7O24,-8.2905792983,-2.8305787372,0.1045253195,0.1045253195,GGA,Pm,A7B24C11_mP42_6_3a4b_12a12b_5a6b:H-O-Ti,42.0,A7B24C11_mP42_6_3a4b_12a12b_5a6b:H-O-Ti +mp-1094046,Ti(HO)2,-6.523313622,-1.6084493162,0.493042434,0.493042434,GGA,Pnnm,A2B2C_oP10_58_g_g_a:H-O-Ti,10.0,A2B2C_oP10_58_g_g_a:H-O-Ti +mp-1094037,Ti3(HO2)2,-7.709524155,-2.1252260456,0.4107617083,0.4107617083,GGA,P-3m1,A2B4C3_hP18_164_2d_c3d_c2d:H-O-Ti,18.0,A2B4C3_hP18_164_2d_c3d_c2d:H-O-Ti +mp-626566,Ti3H2O7,-8.29962013,-2.8747243701,0.0726538227,0.0726538227,GGA,P1,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti,24.0,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti +mp-626567,Ti3H2O7,-8.2751137088,-2.8502179489,0.097160244,0.097160244,GGA,P1,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti,24.0,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti +mp-2216729,Ti3H2O7,-8.3133424471,-2.8884466872,0.0589315056,0.0589315056,GGA,P1,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti,24.0,A2B7C3_aP24_1_4a_14a_6a:H-O-Ti +mp-626547,Ti3H2O7,-8.2799284067,-2.8550326468,0.092345546,0.092345546,GGA,P-1,A2B7C3_aP24_2_2i_7i_3i:H-O-Ti,24.0,"Invalid WP multiplicities - A2B7C3_aP24_2_4i_7i_3i:H-O-Ti, expected Ti3H4O7 to be Ti3H2O7" +mp-626565,Ti3H2O7,-8.228737765,-2.8038420051,0.1435361877,0.1435361877,GGA,C2,A2B7C3_mC48_5_2c_7c_3c:H-O-Ti,24.0,A2B7C3_mC48_5_2c_7c_3c:H-O-Ti +mp-626550,Ti3H2O7,-8.3358200833,-2.9109243234,0.0364538694,0.0364538694,GGA,Cm,A2B7C3_mC48_8_4a_14a_6a:H-O-Ti,24.0,A2B7C3_mC48_8_4a_14a_6a:H-O-Ti +mp-626558,Ti3H2O7,-8.301793195,-2.8768974351,0.0704807577,0.0704807577,GGA,Cm,A2B7C3_mC48_8_4a_14a_6a:H-O-Ti,24.0,A2B7C3_mC48_8_4a_14a_6a:H-O-Ti +mp-626569,Ti3H2O7,-8.1032478046,-2.6783520447,0.2690261481,0.2690261481,GGA,C2/m,A2B7C3_mC48_12_2i_7i_3i:H-O-Ti,24.0,A2B7C3_mC48_12_2i_7i_3i:H-O-Ti +mp-1190804,Ti3H2O7,-8.2993331971,-2.8744374372,0.0729407556,0.0729407556,GGA,C2/m,A2B7C3_mC48_12_2i_7i_3i:H-O-Ti,24.0,A2B7C3_mC48_12_2i_7i_3i:H-O-Ti +mp-1212966,Er2Si4CN6,-8.3143420723,-1.384777089,0.0,-0.0515057703,GGA,P2_1/c,AB2C6D4_mP52_14_e_2e_6e_4e:C-Er-N-Si,52.0,AB2C6D4_mP52_14_e_2e_6e_4e:C-Er-N-Si +mp-1196416,Eu3Si2BO10,-9.3230721065,-3.212577085,0.017219909,0.017219909,GGA,Pbca,AB3C10D2_oP128_61_c_3c_10c_2c:B-Eu-O-Si,128.0,AB3C10D2_oP128_61_c_3c_10c_2c:B-Eu-O-Si +mp-19121,TbVO4,-8.7949915992,-3.21082043,0.0,-0.214884473,GGA+U,I4_1/amd,A4BC_tI24_141_h_a_b:O-Tb-V,12.0,A4BC_tI24_141_h_a_b:O-Tb-V +mp-1197743,TbV(SeO4)2,-7.2056750017,-2.1820412671,0.0008648329,0.0008648329,GGA+U,P2_1/m,A8B2CD_mP48_11_6e5f_4e_2e_f:O-Se-Tb-V,48.0,A8B2CD_mP48_11_6e5f_4e_2e_f:O-Se-Tb-V +mp-1208791,TbV2O2,-7.7940843795,-1.254973247,1.1708384514,1.1708384514,GGA+U,I4_1/amd,A2BC2_tI40_141_h_c_h:O-Tb-V,20.0,A2BC2_tI40_141_h_c_h:O-Tb-V +mp-1208383,TbVO2,-8.4257086544,-2.5227962563,0.5094683668000001,0.5094683668000001,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-Tb-V,16.0,A2BC_tI32_141_h_c_d:O-Tb-V +mp-1208542,TbVO2,-8.2309487625,-2.3280363644,0.7042282586,0.7042282586,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-Tb-V,16.0,A2BC_tI32_141_h_c_d:O-Tb-V +mp-554811,TbVO3,-9.004759297,-3.2930916363,0.0,-0.033264372,GGA+U,Pnma,A3BC_oP20_62_cd_c_a:O-Tb-V,20.0,"Invalid WP multiplicities - A3BC_oP20_62_4c4d_c_a:O-Tb-V, expected TbVO12 to be TbVO3" +mp-1187389,TbVO3,-8.60458872,-2.8929210593,0.400170577,0.366906205,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Tb-V,5.0,A3BC_cP5_221_c_a_b:O-Tb-V +mp-1110903,K2TaCuI6,-3.540948599,-0.8391505696,0.2449330772,0.2449330772,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-I-K-Ta +mp-1198127,SbP2AuF12,-5.1400557084,-2.567103467,0.0795042539,0.0795042539,GGA,P2_1/c,AB12C2D_mP32_14_a_6e_e_c:Au-F-P-Sb,32.0,AB12C2D_mP32_14_a_6e_e_c:Au-F-P-Sb +mp-540729,Cs2KCoF6,-4.874601201,-2.7267616719000003,0.0,-0.049734403,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:Co-Cs-F-K +mp-1110860,K2NaYCl6,-4.534469961,-2.4243685349,0.0279200278,0.0279200278,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-K-Na-Y +mp-1112793,Cs2KAsI6,-2.8691384490000003,-1.2290864294,0.0241273965,0.0241273965,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-K,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-I-K +mp-28110,Rb2PtI6,-2.9415129833,-1.0668019206,0.0,-0.0374478343,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:I-Pt-Rb,9.0,A6BC2_cF36_225_e_a_c:I-Pt-Rb +mp-1219952,Rb2PtI5O2,-3.3428108915,-0.8135698278,0.3219358607,0.3219358607,GGA,Cmc2_1,A5B2CD2_oC40_36_3ab_b_a_b:I-O-Pt-Rb,20.0,"Invalid WP multiplicities - A5B2CD2_oC40_36_4ab_b_a_b:I-O-Pt-Rb, expected Rb2Pt(I3O)2 to be Rb2PtI5O2" +mp-1173429,Rb2PtI5,-3.0016384462,-1.0767592944,0.0385015241,0.0385015241,GGA,Cmcm,A5BC2_oC32_63_cef_a_g:I-Pt-Rb,16.0,A5BC2_oC32_63_cef_a_g:I-Pt-Rb +mp-728614,Pt(I2O)2,-3.1036662114,0.0189018089,0.6242841384000001,0.6242841384000001,GGA,P4_2/mnm,A4B2C_tP14_136_j_f_a:I-O-Pt,14.0,A4B2C_tP14_136_j_f_a:I-O-Pt +mp-974035,Pb3I2(Cl2O3)2,-4.6649538037,-1.2543569492,0.008071893,0.008071893,GGA,C2/c,A4B2C6D3_mC60_15_2f_f_3f_ef:Cl-I-O-Pb,30.0,A4B2C6D3_mC60_15_2f_f_3f_ef:Cl-I-O-Pb +mp-1193095,Rb2In(IO3)6,-4.9108065619,-1.1110529775,0.0232511564,0.0232511564,GGA,P-1,A6BC18D2_aP27_2_3i_a_9i_i:I-In-O-Rb,27.0,A6BC18D2_aP27_2_3i_a_9i_i:I-In-O-Rb +mp-1192770,Rb3In(IO3)6,-4.9507346582,-1.251667485,0.0,-0.0219440709,GGA,P-1,A6BC18D3_aP28_2_3i_a_9i_ei:I-In-O-Rb,28.0,A6BC18D3_aP28_2_3i_a_9i_ei:I-In-O-Rb +mp-1211953,MgHg2(IO)6,-3.189375225,-0.4741771485,0.6134768134,0.6134768134,GGA,C2/c,A2B6CD6_mC60_15_f_3f_e_2e2f:Hg-I-Mg-O,30.0,A2B6CD6_mC60_15_f_3f_e_2e2f:Hg-I-Mg-O +mp-1235973,LiY4(AgO3)4,-6.8554188057,-2.1665951929,0.0711637604,0.0711637604,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Ag-Li-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Ag-Li-O-Y, expected LiY4(AgO3)6 to be LiY4(AgO3)4" +mp-1097271,LiY2Ag,-2.2691705525,2.1494347217,2.3143614675,2.3143614675,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Li-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Li-Y +mp-1200095,SrNp(PO4)2,-8.6200414198,-3.2002591,0.0,-0.0535929373,GGA,Cmce,AB8C2D_oC96_64_f_2f3g_df_e:Np-O-P-Sr,48.0,AB8C2D_oC96_64_f_2f3g_df_e:Np-O-P-Sr +mp-27717,As2S2F3,-4.850277768,-1.5180529900000002,0.0703109657,0.0703109657,GGA,Pbcm,A2B3C2_oP56_57_2de_2d2e_2de:As-F-S,56.0,A2B3C2_oP56_57_2de_2d2e_2de:As-F-S +mp-558466,AsS(BrF2)3,-4.0378912689,-1.772116081,0.0,-0.095595883,GGA,P2_1/c,AB3C6D_mP44_14_e_3e_6e_e:As-Br-F-S,44.0,"Invalid WP multiplicities - AB3C6D_mP44_14_e_8e_20e_e:As-Br-F-S, expected AsS(Br2F5)4 to be AsS(BrF2)3" +mp-27578,As(S2F3)2,-4.7276922415,-1.7573475436,0.0,-0.1756423157,GGA,P2_1/c,AB6C4_mP176_14_4e_24e_16e:As-F-S,176.0,AB6C4_mP176_14_4e_24e_16e:As-F-S +mp-20422,KMnP,-5.6538140817,-0.4252418331,0.0,-0.0143551543,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Mn-P,6.0,ABC_tP6_129_c_a_c:K-Mn-P +mp-1211899,K2MnP2,-3.712767648,0.7291159919,1.1557761597,1.1557761597,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Mn-P,5.0,A2BC2_tP5_123_g_a_g:K-Mn-P +mp-863265,K2Mn(PSe3)2,-4.7454311805,-0.8195323563,0.0024305886,0.0024305886,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:K-Mn-P-Se,22.0,A2BC2D6_mP22_14_e_a_e_3e:K-Mn-P-Se +mp-19957,LaGeBO5,-8.126156290800001,-3.0046725049,0.0,-0.0208413358,GGA,P3_1,ABCD5_hP24_144_a_a_a_5a:B-Ge-La-O,24.0,ABCD5_hP24_144_a_a_a_5a:B-Ge-La-O +mp-683760,Mg3(PO4)2,-4.4865923265,-0.2403650301,2.8258999842,2.7565993242,GGA,P-1,A3B8C2_aP52_2_6i_16i_4i:Mg-O-P,52.0,"Invalid WP multiplicities - A3B8C2_aP52_2_11i_32i_7i:Mg-O-P, expected Mg11P7O32 to be Mg3(PO4)2" +mp-554171,Mg3(PO4)2,-7.2833407581,-3.0371134617,0.0291515527,-0.0401491073,GGA,P-1,A3B8C2_aP52_2_6i_16i_4i:Mg-O-P,52.0,"Invalid WP multiplicities - A3B8C2_aP52_2_11i_32i_7i:Mg-O-P, expected Mg11P7O32 to be Mg3(PO4)2" +mp-14396,Mg3(PO4)2,-7.3124923108,-3.0662650144,0.0,-0.06930066,GGA,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Mg-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_ae_5e_e:Mg-O-P, expected Mg3(PO5)2 to be Mg3(PO4)2" +mp-560623,Mg3(PO4)2,-7.2980987104,-3.051871414,0.0143936004,-0.0549070596,GGA,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Mg-O-P,26.0,"Invalid WP multiplicities - A3B8C2_mP26_14_2a2e_12e_e:Mg-O-P, expected Mg3PO12 to be Mg3(PO4)2" +mp-1189731,PBr3O,-4.309448914,-1.3056336724,0.000385994,-0.0092874752,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:Br-O-P,20.0,A3BC_oP20_33_3a_a_a:Br-O-P +mp-558645,PBr3O,-4.309834908,-1.3060196664,0.0,-0.0096734692,GGA,Pnma,A3BC_oP20_62_cd_c_c:Br-O-P,20.0,"Invalid WP multiplicities - A3BC_oP20_62_4c4d_c_c:Br-O-P, expected PBr12O to be PBr3O" +mp-731845,MgPO7,-5.8253021051000005,-1.1985906012,0.6265458437,0.6265458437,GGA,Pbca,AB7C_oP72_61_c_7c_c:Mg-O-P,72.0,AB7C_oP72_61_c_7c_c:Mg-O-P +mp-1197436,MgPO7,-5.8361038085,-1.2093923045,0.6157441403,0.6157441403,GGA,Pbca,AB7C_oP72_61_c_7c_c:Mg-O-P,72.0,AB7C_oP72_61_c_7c_c:Mg-O-P +mp-727162,MgPO4,-7.0358590344,-2.5691361341,0.1685685332,0.1685685332,GGA,C2/c,AB4C_mC96_15_cef_8f_2f:Mg-O-P,48.0,AB4C_mC96_15_aef_8f_2f:Mg-O-P +mp-867981,Mg3(PO6)2,-6.2651361138,-1.8540943669,0.4906965265,0.4906965265,GGA,Cmc2_1,A3B12C2_oC136_36_2a2b_10a7b_4a:Mg-O-P,68.0,A3B12C2_oC136_36_2a2b_10a7b_4a:Mg-O-P +mp-5427,Mg2P2O7,-7.4035249164,-2.9804352716,0.0061516382,-0.0019400397,GGA,C2/m,A2B7C2_mC22_12_h_aij_i:Mg-O-P,11.0,A2B7C2_mC22_12_h_aij_i:Mg-O-P +mp-1195826,Mg2P2O7,-7.4096765545,-2.9865869098,0.0,-0.0080916778,GGA,P2_1/c,A2B7C2_mP44_14_2e_7e_2e:Mg-O-P,44.0,A2B7C2_mP44_14_2e_7e_2e:Mg-O-P +mp-15437,MgP4O11,-7.5549043228,-2.700712704,0.0,-0.0292232677,GGA,P2_1/c,AB11C4_mP64_14_e_11e_4e:Mg-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_14e_4e:Mg-O-P, expected Mg(P2O7)2 to be MgP4O11" +mp-1233534,MgP4(Br3O)4,-4.3160047438,-1.3790245113,0.0948211992,0.0948211992,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P +mp-1233663,MgP4(Br3O)4,-4.2992925862,-1.3623123537,0.1115333569,0.1115333569,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P +mp-1234210,MgP4(Br3O)4,-4.3021296171,-1.3651493847,0.1086963259,0.1086963259,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Mg-O-P +mp-1234010,MgP4(Br3O)4,-4.3146171357,-1.3776369033,0.0962088073,0.0962088073,GGA,Pm,A12BC4D4_mP21_6_2a2b4c_a_2a2b_2a2b:Br-Mg-O-P,21.0,"Invalid WP multiplicities - A12BC4D4_mP21_6_2a2b8c_a_2a2b_2a2b:Br-Mg-O-P, expected MgP4(Br5O)4 to be MgP4(Br3O)4" +mp-18620,Mg(PO3)2,-7.5302741386,-2.8517166574,0.0,-0.0345366844,GGA,C2/c,AB6C2_mC72_15_ce_6f_2f:Mg-O-P,36.0,AB6C2_mC72_15_ce_6f_2f:Mg-O-P +mp-1203214,Mg2PO8,-5.892866463,-1.5121962542,0.5773276452,0.5773276452,GGA,P2_1/c,A2B8C_mP44_14_2e_8e_e:Mg-O-P,44.0,A2B8C_mP44_14_2e_8e_e:Mg-O-P +mp-1224699,Mg(PO5)2,-5.2564544562,-0.495395058,1.4788703202,1.4788703202,GGA,Cm,AB10C2_mC26_8_a_4a3b_2a:Mg-O-P,13.0,AB10C2_mC26_8_a_4a3b_2a:Mg-O-P +mp-1211050,Mg(PO5)2,-6.232213625,-1.4711542269,0.5031111513000001,0.5031111513000001,GGA,P2_1/c,AB10C2_mP26_14_a_5e_e:Mg-O-P,26.0,AB10C2_mP26_14_a_5e_e:Mg-O-P +mp-1204335,Mg(PO5)2,-5.073250636,-0.3121912378,1.6620741404,1.6620741404,GGA,I4_1/acd,AB10C2_tI104_142_a_d2g_e:Mg-O-P,52.0,AB10C2_tI104_142_a_d2g_e:Mg-O-P +mp-1205102,Mg(PO5)2,-5.0642239981,-0.3031645999,1.6711007783,1.6711007783,GGA,I4_1/acd,AB10C2_tI104_142_a_d2g_e:Mg-O-P,52.0,AB10C2_tI104_142_a_d2g_e:Mg-O-P +mp-818262,Mo3Se(NO6)2,-7.0569989106,-0.8311035665000001,0.7023398742,0.7023398742,GGA+U,P6_3,A3B2C12D_hP36_173_c_2b_4c_a:Mo-N-O-Se,36.0,A3B2C12D_hP36_173_c_2b_4c_a:Mo-N-O-Se +mp-1247539,MoSeN,-7.9247071683,-0.3653549974,0.3141271273,0.3141271273,GGA,P4/nmm,ABC_tP6_129_c_a_c:Mo-N-Se,6.0,ABC_tP6_129_c_a_c:Mo-N-Se +mp-1211340,Li6Tm(BO3)3,-7.0624417454,-2.8262445698,0.0,-0.0080601068,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Tm,76.0,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Tm +mp-1211183,LiTm6B3O14,-8.5569346116,-3.6379449167,0.0,-0.0087804627,GGA,P2_1/c,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Tm,96.0,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Tm +mp-1201201,Cs3B(SeO4)3,-5.8912531913,-1.7221164621,0.0,-0.0687333574,GGA,P2_1/c,AB3C12D3_mP76_14_e_3e_12e_3e:B-Cs-O-Se,76.0,AB3C12D3_mP76_14_e_3e_12e_3e:B-Cs-O-Se +mp-505573,Zr3V3C,-9.0654199239,-0.1906362679,0.0510112589,0.0510112589,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-V-Zr,28.0,AB3C3_cF112_227_c_de_f:C-V-Zr +mp-1215237,ZrNb2VC4,-9.8379750588,-0.494365215,0.0849075923,0.0849075923,GGA,R3m,A4B2CD_hR24_160_4a_2a_a_a:C-Nb-V-Zr,8.0,A4B2CD_hR24_160_4a_2a_a_a:C-Nb-V-Zr +mp-1215281,ZrNbV,-9.2227355642,0.0215683492,0.0215683492,0.0215683492,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Nb-V-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Nb-V-Zr, expected Zr3(NbV)2 to be ZrNbV" +mp-562569,CsPPbS4,-4.7755844104000005,-0.9802770652,0.0,-0.0382626204,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Cs-P-Pb-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_6c5d:Cs-P-Pb-S, expected CsPPbS16 to be CsPPbS4" +mp-1012835,SmCu(WO4)2,-8.5526204321,-2.3603235192,0.0408682153,0.0408682153,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Sm-W,24.0,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Sm-W +mp-17982,SmCu(WO4)2,-8.5588614075,-2.3665644946,0.0346272398,0.0346272398,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Sm-W,24.0,"Invalid WP multiplicities - AB8CD2_aP24_2_i_8i_i_4i:Cu-O-Sm-W, expected SmCu(WO2)4 to be SmCu(WO4)2" +mp-559059,K3Nd(AsS4)2,-4.8056766857,-1.197878113,0.0,-0.019637584,GGA,C2/c,A2B3CD8_mC56_15_f_a2e_e_4f:As-K-Nd-S,28.0,"Invalid WP multiplicities - A2B3CD8_mC56_15_f_2c3e_e_13f:As-K-Nd-S, expected K5Nd(AsS13)2 to be K3Nd(AsS4)2" +mp-1216000,YTiFe11C,-8.4326800521,-0.0926184855,0.0411980479,0.0411980479,GGA,Imm2,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Ti-Y,14.0,AB11CD_oI28_44_b_a2b2ce_a_a:C-Fe-Ti-Y +mp-1226312,Cs2LiV3F12,-6.2254745911,-3.2316305116,0.0,-0.0165270064,GGA+U,R-3m,A2B12CD3_hR54_166_c_2h_a_d:Cs-F-Li-V,18.0,"Invalid WP multiplicities - A2B12CD3_hR54_166_c_9h_a_d:Cs-F-Li-V, expected Cs2LiV3F54 to be Cs2LiV3F12" +mp-1213773,CrAg(SO4)2,-6.8184379,-1.7907701586,0.0043946558,0.0043946558,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ag-Cr-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Ag-Cr-O-S +mp-19370,LaCoPO,-7.455998515,-1.8549194855,0.2741365528,0.2741365528,GGA+U,P4/nmm,ABCD_tP8_129_a_c_b_c:Co-La-O-P,8.0,ABCD_tP8_129_a_c_b_c:Co-La-O-P +mp-1097025,GaFe2BO5,-7.8352783944,-2.1262813089,0.0,-0.0156667896,GGA+U,Pbam,AB2CD5_oP36_55_g_adh_g_3g2h:B-Fe-Ga-O,36.0,AB2CD5_oP36_55_g_adh_g_3g2h:B-Fe-Ga-O +mp-1213911,CdCo(PO3)4,-7.3670980742,-2.4201712899,0.0,-0.0053048854,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Cd-Co-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Cd-Co-O-P +mp-1227073,CdCo3(PO3)8,-7.5203752111,-2.4016309814,0.0,-0.011717348,GGA+U,C2,AB3C24D8_mC72_5_a_bc_12c_4c:Cd-Co-O-P,36.0,AB3C24D8_mC72_5_a_bc_12c_4c:Cd-Co-O-P +mp-21522,FeNi2BO5,-7.5515911231,-1.8356878012,0.0,-0.0081484106,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:B-Fe-Ni-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_55_g_g_2bch_6g4h:B-Fe-Ni-O, expected Fe2Ni5(BO10)2 to be FeNi2BO5" +mp-1207985,V2Cd3(GeO4)3,-6.716466807,-2.008175331,0.0254909428,0.0254909428,GGA+U,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Cd-Ge-O-V,80.0,A3B3C12D2_cI160_230_c_d_h_a:Cd-Ge-O-V +mp-559685,V2Cd4(TeO5)3,-6.1847129543,-1.7893121406,0.0,-0.0096889562,GGA+U,P2_12_12_1,A4B15C3D2_oP96_19_4a_15a_3a_2a:Cd-O-Te-V,96.0,"Invalid WP multiplicities - A4B15C3D2_oP96_19_15a_60a_12a_3a:Cd-O-Te-V, expected VCd5(TeO5)4 to be V2Cd4(TeO5)3" +mp-541538,K2CdSiO4,-5.9012503405,-2.3567802743,0.0,-0.0086821783,GGA,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Cd-K-O-Si,64.0,AB2C4D_oP64_29_2a_4a_8a_2a:Cd-K-O-Si +mp-1112795,Cs2YInI6,-3.528426335,-1.5435105663000002,0.0009321435,0.0009321435,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-In-Y +mp-1212123,Mn2Be3(NF6)2,-5.8183736126,-2.1787416843,0.6689850513000001,0.6689850513000001,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-N,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Mn-N +mp-13925,Cs2NaYF6,-5.688423213,-3.5835557174,0.0,-0.0407609173,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Y +mp-1105147,Sr2YOsO6,-7.95288867,-2.8775928983,0.0,-0.0224960362,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Os-Sr-Y,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Os-Sr-Y +mp-1112018,K2InSbI6,-2.828013642,-1.0338455456,0.0701900088,0.0701900088,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-K-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-K-Sb +mp-1326300,ZnWF5,-5.9256543857,-2.5291874318,0.0845339118,0.0845339118,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-W-Zn,28.0,A5BC_mP28_14_5e_e_e:F-W-Zn +mp-1404732,ZnWF5,-5.925959765,-2.5294928111,0.0842285325,0.0842285325,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-W-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_c_e:F-W-Zn, expected ZnWF7 to be ZnWF5" +mp-1047930,BaZnWF7,-6.0164872765,-3.0647671212,0.0155801234,0.0155801234,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-W-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-W-Zn, expected BaZnWF23 to be BaZnWF7" +mp-1400616,ZnWF6,-5.93480993,-2.7239664744,0.0,-0.1030574165,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-W-Zn,8.0,A6BC_hR24_148_f_a_b:F-W-Zn +mp-1828501,ZnWF4,-5.54589764,-1.9019326883,0.5647951475,0.5647951475,GGA+U,C2,A4BC_mC24_5_4c_c_ab:F-W-Zn,12.0,A4BC_tI24_140_l_d_a:F-W-Zn +mp-1401686,ZnWF4,-5.3778075075,-1.7338425558,0.73288528,0.73288528,GGA+U,I4/mcm,A4BC_tI24_140_l_d_a:F-W-Zn,12.0,A4BC_tI24_140_l_d_a:F-W-Zn +mp-1112024,K2TlHgI6,-2.350407552,-0.9776756014,0.1073162536,0.1073162536,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Hg-I-K-Tl +mp-1111231,K2NaInI6,-2.741235183,-1.2277146813,0.097179145,0.097179145,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:I-In-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:I-In-K-Na +mp-1246775,Ca2CdN2,-4.896097576,-0.574681702,0.1179662321,0.1179662321,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Ca-Cd-N,20.0,A2BC2_mP20_14_2e_e_2e:Ca-Cd-N +mp-1246711,Ca2CdN2,-4.99007885,-0.668662976,0.0239849581,0.0239849581,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Ca-Cd-N,5.0,A2BC2_tI10_139_e_a_e:Ca-Cd-N +mp-1245643,Ca5CdN4,-5.103822972,-0.6741360860000001,0.1388851178,0.1388851178,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Cd-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Cd-N +mp-1214469,CaCd(NO3)4,-6.1595157917,-0.8464750208,0.4143800615,0.4143800615,GGA,P3_121,ABC4D12_hP54_152_a_b_2c_6c:Ca-Cd-N-O,54.0,ABC4D12_hP54_152_a_b_2c_6c:Ca-Cd-N-O +mp-1204540,CaCd(NO3)4,-6.160011653,-0.8469708821,0.4138842002,0.4138842002,GGA,P3_221,ABC4D12_hP54_154_a_b_2c_6c:Ca-Cd-N-O,54.0,ABC4D12_hP54_154_a_b_2c_6c:Ca-Cd-N-O +mp-1225934,CsMnVF6,-6.5511259389,-3.149992879,0.0,-0.0190428042,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-F-Mn-V,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-F-Mn-V, expected CsMnVF12 to be CsMnVF6" +mp-1228505,Ba3TaOF9,-6.5655969929,-3.7252611451,0.241102677,0.241102677,GGA,C222_1,A3B9CD_oC56_20_3a_2ab3c_b_a:Ba-F-O-Ta,28.0,"Invalid WP multiplicities - A3B9CD_oC56_20_3a_2ab4c_b_a:Ba-F-O-Ta, expected Ba3TaOF11 to be Ba3TaOF9" +mp-1041342,BaTaF7,-6.7979976383,-3.7805414892,0.0856316297,-0.0100620783,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Ba-F-Ta,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_23e_e:Ba-F-Ta, expected BaTaF23 to be BaTaF7" +mp-559835,BaTaF7,-6.8836292681,-3.8661731189,0.0,-0.0956937081,GGA,Pa-3,AB7C_cP72_205_ab_c2d_c:Ba-F-Ta,72.0,"Invalid WP multiplicities - AB7C_cP72_205_3a4b_8c32d_c:Ba-F-Ta, expected Ba7Ta2F208 to be BaTaF7" +mp-558834,Eu2B5BrO9,-8.8810242844,-2.9996013912,0.0,-0.0416336285,GGA,Pnn2,A5BC2D9_oP68_34_5c_ab_2c_9c:B-Br-Eu-O,68.0,"Invalid WP multiplicities - A5BC2D9_oP68_34_16c_2a2b_6c_35c:B-Br-Eu-O, expected Eu6B16Br2O35 to be Eu2B5BrO9" +mp-975577,K3La(AsO4)2,-6.5027177986,-2.4199356239,0.0,-0.0396761718,GGA,P2_1,A2B3CD8_mP28_4_2a_3a_a_8a:As-K-La-O,28.0,A2B3CD8_mP28_4_2a_3a_a_8a:As-K-La-O +mp-1245446,AgSnN,-4.7464595383,0.3130813894,0.3216119733,0.3216119733,GGA,P6_3mc,ABC_hP6_186_b_b_a:Ag-N-Sn,6.0,ABC_hP6_186_b_b_a:Ag-N-Sn +mp-1197642,Ag6Sn3(S5N)2,-4.1123526155,0.0334350085,0.435269156,0.435269156,GGA,Pbcn,A6B2C10D3_oP84_60_3d_d_5d_cd:Ag-N-S-Sn,84.0,A6B2C10D3_oP84_60_3d_d_5d_cd:Ag-N-S-Sn +mp-1210939,Mn2Pd(NO2)4,-5.811558614,0.6166681716,1.6947623344,1.6947623344,GGA+U,P-1,A2B4C8D_aP15_2_i_2i_4i_a:Mn-N-O-Pd,15.0,"Invalid WP multiplicities - A2B4C8D_aP15_2_i_3i_8i_a:Mn-N-O-Pd, expected Mn2Pd(N3O8)2 to be Mn2Pd(NO2)4" +mp-1245932,Mn(PdN)2,-7.125654898,0.1132988544,0.304569049,0.304569049,GGA,C2/m,AB2C2_mC10_12_a_i_i:Mn-N-Pd,5.0,AB2C2_mC10_12_a_i_i:Mn-N-Pd +mp-10198,Mn3PdN,-8.501490646,-0.3010061238,0.022875056,0.022875056,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Pd,5.0,A3BC_cP5_221_c_b_a:Mn-N-Pd +mp-568932,Cd2Os(CN)6,-7.8618343267,0.0357729703,0.078986702,0.078986702,GGA,P-31m,A6B2C6D_hP15_162_k_c_k_b:C-Cd-N-Os,15.0,A6B2C6D_hP15_162_k_c_k_b:C-Cd-N-Os +mp-18677,PrSc3(BO3)4,-8.9474757647,-3.4546685303,0.0,-0.0138466541,GGA,C2/c,A4B12CD3_mC80_15_2f_6f_e_ef:B-O-Pr-Sc,40.0,A4B12CD3_mC80_15_2f_6f_e_ef:B-O-Pr-Sc +mp-1221581,MnHg2S3,-4.200404345,-0.5039500746,0.0671467475,0.0671467475,GGA,P3m1,A2BC3_hP6_156_ab_c_abc:Hg-Mn-S,6.0,A2BC3_hP6_156_ab_c_abc:Hg-Mn-S +mp-1221590,MnHg3S4,-3.7912909088,-0.4639339269,0.0591411119,0.0591411119,GGA,R3m,A3BC4_hR24_160_3a_a_4a:Hg-Mn-S,8.0,A3BC4_hR24_160_3a_a_4a:Hg-Mn-S +mp-1221595,MnHg4S5,-3.559801314,-0.4539027054,0.0403592635,0.0403592635,GGA,I-4m2,A4BC5_tI20_119_2e_a_c2f:Hg-Mn-S,10.0,"Invalid WP multiplicities - A4BC5_tI20_119_3e_a_c3f:Hg-Mn-S, expected MnHg6S7 to be MnHg4S5" +mp-1221580,MnHgS2,-5.0032393625,-0.5685905148,0.0985498737,0.0985498737,GGA,R3m,ABC2_hR12_160_a_a_2a:Hg-Mn-S,4.0,ABC2_hR12_160_a_a_2a:Hg-Mn-S +mp-17745,Mn2Hg2SF6,-5.3496001545,-2.2098987922,0.0,-0.027518429,GGA+U,Fd-3m,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Mn-S,22.0,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Mn-S +mp-1202011,Li2U3(SeO10)2,-7.1818359746,-1.8626629026,0.3783150026,0.3783150026,GGA,P2_1/c,A2B20C2D3_mP54_14_e_10e_e_ae:Li-O-Se-U,54.0,A2B20C2D3_mP54_14_e_10e_e_ae:Li-O-Se-U +mp-510338,Cs2LiVS4,-5.1251864506,-1.4590073071,0.0,-0.0388953198,GGA,Fddd,A2BC4D_oF64_70_e_a_h_b:Cs-Li-S-V,16.0,A2BC4D_oF64_70_e_a_h_b:Cs-Li-S-V +mp-551243,BaBiIO2,-5.629911883,-2.2046703145,0.0,-0.1172928228,GGA,Cmcm,ABCD2_oC20_63_c_c_c_e:Ba-Bi-I-O,10.0,ABCD2_oC20_63_c_c_c_e:Ba-Bi-I-O +mp-1214589,Ba3Bi2I2O5,-5.6333496575,-2.2068430461,0.1010953583,0.1010953583,GGA,I4/mmm,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-Bi-I-O,12.0,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-Bi-I-O +mp-1228023,BaBi2(IO)2,-4.4622452386,-1.2565219068,0.4821751675,0.4821751675,GGA,I4mm,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-I-O,7.0,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-I-O +mp-1228116,BaBi2(IO)2,-4.35376306,-1.1480397282,0.5906573461,0.5906573461,GGA,I4mm,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-I-O,7.0,AB2C2D2_tI14_107_a_2a_2a_b:Ba-Bi-I-O +mp-1228019,BaBi2(IO)2,-4.3388510071,-1.1331276754,0.6055693989,0.6055693989,GGA,I-4m2,AB2C2D2_tI14_119_a_e_e_f:Ba-Bi-I-O,7.0,AB2C2D2_tI14_119_a_e_e_f:Ba-Bi-I-O +mp-546846,BaBi4(IO2)2,-4.9982976964,-1.3606232414,0.2735262196,0.2735262196,GGA,I4/mmm,AB4C2D4_tI22_139_a_2e_e_g:Ba-Bi-I-O,11.0,AB4C2D4_tI22_139_a_2e_e_g:Ba-Bi-I-O +mp-1197620,K3As(PSe3)3,-4.2550801862,-0.7742410572,0.0,-0.0080258205,GGA,P2_1/c,AB3C3D9_mP64_14_e_3e_3e_9e:As-K-P-Se,64.0,AB3C3D9_mP64_14_e_3e_3e_9e:As-K-P-Se +mp-1214611,Ba3Pr(BO2)9,-8.265683291,-3.1143041518,0.0114933224,0.0114933224,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Pr,62.0,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Pr +mp-1216346,Y9Al(GeS7)3,-6.6305147381000005,-1.8458574846,0.0028989896,0.0028989896,GGA,R3,AB3C21D9_hR204_146_2a_2b_14b_6b:Al-Ge-S-Y,68.0,"Invalid WP multiplicities - AB3C21D9_hR204_146_2a_2b_34b_16b:Al-Ge-S-Y, expected Y24Al(GeS17)3 to be Y9Al(GeS7)3" +mp-9518,NdZnPO,-6.0943575125,-1.9973869474,0.0,-0.0750059373,GGA,R-3m,ABCD_hR24_166_c_c_c_c:Nd-O-P-Zn,8.0,ABCD_hR24_166_c_c_c_c:Nd-O-P-Zn +mp-1209827,Nd(ZnP)3,-4.1349006164,-0.5938597904,0.0,-0.0215261161,GGA,P6_3/mmc,AB3C3_hP14_194_a_cf_df:Nd-P-Zn,14.0,AB3C3_hP14_194_a_cf_df:Nd-P-Zn +mp-1110940,K2LiMoI6,-3.47120885,-1.0896519529,0.0852614798,0.0852614798,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Mo,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Mo +mp-1110969,Cs2LiYF6,-5.735408888,-3.5719016351,0.0156888442,0.0156888442,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-Y +mp-1033179,Mg6BiBO8,-5.8812035931,-2.1502616624,0.6983071877,0.6983071877,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Bi-Mg-O, expected Mg6BiBO12 to be Mg6BiBO8" +mp-1033200,Mg6BiBO8,-5.9181095094,-2.1871675787,0.6614012714,0.6614012714,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Bi-Mg-O, expected Mg6BiBO12 to be Mg6BiBO8" +mp-1017230,Mg6BiB,-2.3308339488,0.1843612014,0.2887816006,0.2887816006,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Bi-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Bi-Mg +mp-1017258,Mg6BiB,-2.2627182881,0.252476862,0.3568972612,0.3568972612,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Bi-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-Bi-Mg, expected Mg12BiB to be Mg6BiB" +mp-1098202,Mg30BiBO32,-6.2707617931,-2.882913025,0.1197594121,0.1197594121,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Bi-Mg-O, expected Mg90BiBO80 to be Mg30BiBO32" +mp-1038483,Mg30BiBO32,-6.2134733042,-2.8256245361000003,0.177047901,0.177047901,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Bi-Mg-O, expected Mg90BiBO80 to be Mg30BiBO32" +mp-1038455,Mg30BiBO32,-6.2152896556,-2.8274408875,0.1752315496,0.1752315496,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Bi-Mg-O, expected Mg110BiBO72 to be Mg30BiBO32" +mp-1033747,Mg14BiBO16,-6.1974490119,-2.6952358562,0.2560687185,0.2560687185,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Bi-Mg-O, expected Mg18BiBO20 to be Mg14BiBO16" +mp-1033642,Mg14BiBO16,-6.0998205862,-2.5976074306,0.3536971441,0.3536971441,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Bi-Mg-O, expected Mg30BiBO32 to be Mg14BiBO16" +mp-1026519,Mg14BiB,-1.8938800419,0.1638575582,0.2283596671,0.2283596671,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Bi-Mg, expected Mg18BiB to be Mg14BiB" +mp-1026431,Mg14BiB,-1.8921855806,0.1655520194,0.2300541283,0.2300541283,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Bi-Mg, expected Mg26BiB to be Mg14BiB" +mp-1111417,K2TlRuF6,-4.887528153,-2.3548564144,0.039429723,0.039429723,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Ru-Tl,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Ru-Tl +mp-1020711,Rb2Si(S2O7)3,-6.518805424,-1.9826204802,0.0,-0.0379475981,GGA,P-3,A21B2C6D_hP60_147_7g_2d_2g_c:O-Rb-S-Si,60.0,A21B2C6D_hP60_147_7g_2d_2g_c:O-Rb-S-Si +mp-1112179,K2ScInF6,-5.546635064,-3.2692526106,0.0855886255,0.0855886255,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Sc,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Sc +mp-731850,TiOF5,-5.6621462561,-2.4622068896,0.2788667613,0.2788667613,GGA,C2/c,A5BC_mC56_15_5f_f_f:F-O-Ti,28.0,A5BC_mC56_15_5f_f_f:F-O-Ti +mp-1208334,Ti2Te2(OF)5,-6.7610050027,-2.7346882731,0.0714392332,0.0714392332,GGA,Pnma,A5B5C2D2_oP56_62_c2d_c2d_d_d:F-O-Te-Ti,56.0,A5B5C2D2_oP56_62_c2d_c2d_d_d:F-O-Te-Ti +mp-753708,TiOF,-8.3418514017,-3.4239648365,0.0434032428,0.0434032428,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Ti,12.0,ABC_mP12_14_e_e_e:F-O-Ti +mp-752496,TiOF,-8.3130716975,-3.3951851324,0.0721829469,0.0721829469,GGA,P2_1/c,ABC_mP12_14_e_e_e:F-O-Ti,12.0,ABC_mP12_14_e_e_e:F-O-Ti +mp-753059,TiOF,-8.3166285317,-3.3987419665,0.0686261128,0.0686261128,GGA,Pmmn,ABC_oP6_59_a_a_b:F-O-Ti,6.0,ABC_oP6_59_a_a_b:F-O-Ti +mp-753657,TiOF,-8.3816471333,-3.4637605682,0.0036075111,0.0036075111,GGA,P4/mmm,ABC_tP3_123_b_c_a:F-O-Ti,3.0,ABC_tP3_123_b_c_a:F-O-Ti +mp-685511,Ti14O7F60,-6.2539609796,-3.0459060752,0.1782209182,0.1782209182,GGA,P1,A60B7C14_aP81_1_60a_7a_14a:F-O-Ti,81.0,A60B7C14_aP81_1_60a_7a_14a:F-O-Ti +mp-1216939,TiTeO3F2,-6.9954150729,-2.7522976473,0.0,-0.0345613968,GGA,P2_1/c,A2B3CD_mP56_14_4e_6e_2e_2e:F-O-Te-Ti,56.0,"Invalid WP multiplicities - A2B3CD_mP56_14_6e_10e_4e_4e:F-O-Te-Ti, expected Ti2Te2O5F3 to be TiTeO3F2" +mp-753858,TiOF2,-7.7315491763,-3.5652645105,0.0532206362,0.0532206362,GGA,P2_1,A2BC_mP16_4_4a_2a_2a:F-O-Ti,16.0,"Invalid WP multiplicities - A2BC_mP16_4_7a_3a_3a:F-O-Ti, expected Ti3O3F7 to be TiOF2" +mp-1216625,TiOF2,-7.7365238,-3.5702391343,0.0482460125,0.0482460125,GGA,P4/mmm,A2BC_tP4_123_e_a_b:F-O-Ti,4.0,A2BC_tP4_123_e_a_b:F-O-Ti +mp-37473,TiOF2,-7.7059908438,-3.539706178,0.0787789687,0.0787789687,GGA,P4_2/mmc,A2BC_tP8_131_ce_d_a:F-O-Ti,8.0,A2BC_tP8_131_ce_d_a:F-O-Ti +mp-556570,Ag4Se(IO2)2,-4.114137543,-0.6996263579,0.017656203,0.017656203,GGA,Pna2_1,A4B2C4D_oP44_33_4a_2a_4a_a:Ag-I-O-Se,44.0,"Invalid WP multiplicities - A4B2C4D_oP44_33_12a_5a_12a_a:Ag-I-O-Se, expected Ag12SeI5O12 to be Ag4Se(IO2)2" +mp-1111390,CsRb2VF6,-5.343230489,-3.0023054498,0.0748657583,0.0748657583,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-V,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-Rb-V +mp-628664,Ce2P3Au,-6.2713040571,-1.0413094188,0.0,-0.010242951,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Au-Ce-P,24.0,"Invalid WP multiplicities - AB2C3_oP24_62_c_5c_10c:Au-Ce-P, expected Ce5P10Au to be Ce2P3Au" +mp-1103201,Ce2P2AuO,-6.9237702283,-1.7715445559,0.0,-0.0038894051,GGA,C2/m,AB2CD2_mC24_12_i_2i_i_2i:Au-Ce-O-P,12.0,AB2CD2_mC24_12_i_2i_i_2i:Au-Ce-O-P +mp-625359,NdHO2,-7.4042116225,-2.8906488975,0.0,-0.0248802973,GGA,P2_1,ABC2_mP8_4_a_a_2a:H-Nd-O,8.0,ABC2_mP8_4_a_a_2a:H-Nd-O +mp-1190994,NdHO,-6.7993172783,-2.4301298821,0.0,-0.0283928666,GGA,P4/nmm,ABC_tP24_129_i_ace_i:H-Nd-O,24.0,ABC_tP24_129_i_ace_i:H-Nd-O +mp-673303,Nd(HO)3,-6.4633384707,-2.2081396563,0.0029560029,-0.0068885632,GGA,Pm,A3BC3_mP14_6_3a3b_ab_3a3b:H-Nd-O,14.0,A3BC3_mP14_6_3a3b_ab_3a3b:H-Nd-O +mp-625403,Nd(HO)3,-6.4662944736,-2.2110956591,0.0,-0.0098445661,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:H-Nd-O,14.0,"Invalid WP multiplicities - A3BC3_mP14_11_6e_e_6e:H-Nd-O, expected Nd(HO)6 to be Nd(HO)3" +mp-625397,Nd(HO)3,-6.4662467229,-2.2110479084,4.77507e-05,-0.0097968154,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:H-Nd-O,14.0,A3BC3_hP14_176_h_c_h:H-Nd-O +mp-1205210,NdRe3(H2O5)3,-7.5032399091,-2.036903272,0.0,-0.0893130838,GGA,P2_1/c,A6BC15D3_mP100_14_6e_e_15e_3e:H-Nd-O-Re,100.0,A6BC15D3_mP100_14_6e_e_15e_3e:H-Nd-O-Re +mp-1111949,K2AlAgF6,-5.079422496,-3.0526421428,0.00703817,0.00703817,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-F-K +mp-752520,GdIO,-9.4216785475,-2.5896194471,0.0,-0.3947087484,GGA,Fddd,ABC_oF48_70_e_c_f:Gd-I-O,12.0,ABC_oF48_70_e_c_f:Gd-I-O +mp-628631,GdBi2IO4,-7.6938816238,-2.3167289119,0.0,-0.0522608517,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Gd-I-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Gd-I-O +mp-560489,Gd(IO3)3,-6.3246309492,-1.4772140499,0.0097043198,-0.104539388,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Gd-I-O,52.0,"Invalid WP multiplicities - AB3C9_mP52_14_e_8e_32e:Gd-I-O, expected Gd(IO4)8 to be Gd(IO3)3" +mp-510661,Gd(IO3)3,-6.334335269,-1.4869183697,0.0,-0.1142437078,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Gd-I-O,52.0,AB3C9_mP52_14_e_3e_9e:Gd-I-O +mp-1212616,GdI3O11,-5.8639315387,-1.0032783978,0.2853841893,0.2853841893,GGA,P-1,AB3C11_aP30_2_i_3i_11i:Gd-I-O,30.0,AB3C11_aP30_2_i_3i_11i:Gd-I-O +mp-557040,Lu(PO3)3,-8.0543146601,-3.0326949339,0.00983878,-0.0358094046,GGA,Cc,AB9C3_mC156_9_3a_27a_9a:Lu-O-P,78.0,AB9C3_mC156_9_6a_54a_18a:Lu-O-P +mp-557100,Lu(PO3)3,-8.05071148,-3.0290917538,0.0134419601,-0.0322062244,GGA,Cc,AB9C3_mC52_9_a_9a_3a:Lu-O-P,26.0,"Invalid WP multiplicities - AB9C3_mC52_9_a_17a_5a:Lu-O-P, expected LuP5O17 to be Lu(PO3)3" +mp-768503,Lu(PO3)3,-8.0558782256,-3.0342584993,0.0082752145,-0.03737297,GGA,P2_1/m,AB9C3_mP52_11_2e_4e7f_2e2f:Lu-O-P,52.0,"Invalid WP multiplicities - AB9C3_mP52_11_3e_7e14f_3e4f:Lu-O-P, expected Lu3P11O35 to be Lu(PO3)3" +mp-557585,Lu(PO3)3,-8.0597163641,-3.0380966379,0.004437076,-0.0412111086,GGA,R-3,AB9C3_hR312_148_abf_12f_4f:Lu-O-P,104.0,"Invalid WP multiplicities - AB9C3_hR312_148_ab2f_67f_17f:Lu-O-P, expected Lu7(P17O67)3 to be Lu(PO3)3" +mp-1198201,Lu(PO3)3,-8.0641534401,-3.0425337138,0.0,-0.0456481845,GGA,I-43d,AB9C3_cI208_220_c_3e_e:Lu-O-P,104.0,AB9C3_cI208_220_c_3e_e:Lu-O-P +mp-554854,CsLuP2O7,-7.79708912,-3.1725637669,0.0,-0.0349260284,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cs-Lu-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_4e:Cs-Lu-O-P, expected CsLu(P2O13)2 to be CsLuP2O7" +mp-555586,LuPO4,-8.3746694275,-3.4211681156,0.0997553392,-0.0501317664,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Lu-O-P,12.0,AB4C_tI24_88_a_f_b:Lu-O-P +mp-2940,LuPO4,-8.4744247667,-3.5209234547,0.0,-0.1498871056,GGA,I4_1/amd,AB4C_tI24_141_a_h_b:Lu-O-P,12.0,AB4C_tI24_141_a_h_b:Lu-O-P +mp-554113,LuP5O14,-7.8719488439,-2.8298935933,0.0016723739,0.0016723739,GGA,C2/c,AB14C5_mC160_15_2e_14f_5f:Lu-O-P,80.0,"Invalid WP multiplicities - AB14C5_mC160_15_2e_52f_16f:Lu-O-P, expected Lu(P4O13)4 to be LuP5O14" +mp-773020,LuP5O14,-7.8587165669,-2.8166613163000003,0.0149046509,0.0149046509,GGA,Pnma,AB14C5_oP80_62_c_2c6d_c2d:Lu-O-P,80.0,"Invalid WP multiplicities - AB14C5_oP80_62_c_6c23d_4c5d:Lu-O-P, expected Lu(P7O26)2 to be LuP5O14" +mp-1210875,LuPO2,-6.9348760619,-1.9779684496,1.1407294471,1.1407294471,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Lu-O-P,16.0,AB2C_tI32_141_c_h_d:Lu-O-P +mp-780377,Lu2P4O13,-8.1660710024,-3.1659623543,0.027641804,0.027641804,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Lu-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_7e_51e_15e:Lu-O-P, expected Lu7(P5O17)3 to be Lu2P4O13" +mp-776491,Lu2P4O13,-8.1727751626,-3.1726665146,0.0209376438,0.0209376438,GGA,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Lu-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_3e_51e_15e:Lu-O-P, expected LuP5O17 to be Lu2P4O13" +mp-773016,Lu2P4O13,-8.13017223,-3.130063582,0.0635405764,0.0635405764,GGA,C2/c,A2B13C4_mC76_15_f_e6f_2f:Lu-O-P,38.0,"Invalid WP multiplicities - A2B13C4_mC76_15_f_2e24f_7f:Lu-O-P, expected LuP7O25 to be Lu2P4O13" +mp-1211798,Lu(PO)2,-6.6799115595,-1.6317249683,0.863233349,0.863233349,GGA,I4_1/amd,AB2C2_tI40_141_c_h_h:Lu-O-P,20.0,AB2C2_tI40_141_c_h_h:Lu-O-P +mp-27437,Zr(IO3)4,-5.684046985,-1.3427863635,0.0,-0.0340113774,GGA,P4/n,A4B12C_tP34_85_g_3g_c:I-O-Zr,34.0,"Invalid WP multiplicities - A4B12C_tP34_85_g_4g_c:I-O-Zr, expected Zr(IO4)4 to be Zr(IO3)4" +mp-556129,Cs2Zr(IO3)6,-5.3896470981,-1.3815322731,0.0,-0.0117649367,GGA,R-3,A2B6C18D_hR81_148_c_f_3f_a:Cs-I-O-Zr,27.0,"Invalid WP multiplicities - A2B6C18D_hR81_148_c_f_11f_a:Cs-I-O-Zr, expected Cs2Zr(IO11)6 to be Cs2Zr(IO3)6" +mp-16764,RbYTe2,-5.0356780813,-1.6022738381,0.0,-0.1218902741,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Rb-Te-Y,8.0,AB2C_hP8_194_c_f_a:Rb-Te-Y +mp-1194706,RbY(TeO3)2,-6.648452915,-2.307077991,0.0,-0.0414199012,GGA,Pnma,A6BC2D_oP40_62_2c2d_c_2c_c:O-Rb-Te-Y,40.0,A6BC2D_oP40_62_2c2d_c_2c_c:O-Rb-Te-Y +mp-1181561,K2BiBr5O2,-3.4123735699,-1.0403929602,0.3662345408,0.3662345408,GGA,Pnma,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Br-K-O,80.0,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Br-K-O +mp-1204297,K2BiBr5O2,-3.1129879515,-0.7410073418,0.6656201592000001,0.6656201592000001,GGA,Pnma,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Br-K-O,80.0,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Br-K-O +mp-555393,KBi6BrO9,-5.8440308738,-1.7130567292,0.0,-0.0027094721,GGA,Ia-3d,A6BCD9_cI272_230_fg_b_a_gh:Bi-Br-K-O,136.0,"Invalid WP multiplicities - A6BCD9_cI272_230_13f13g_b_a_19g19h:Bi-Br-K-O, expected KBi78BrO171 to be KBi6BrO9" +mp-1190394,Nd4FeS6O,-7.0298438717,-2.2541773006,0.0671163791,0.0671163791,GGA+U,P6_3mc,AB4CD6_hP24_186_a_bc_b_2c:Fe-Nd-O-S,24.0,AB4CD6_hP24_186_a_bc_b_2c:Fe-Nd-O-S +mp-1216192,WBrCl3O,-5.4983651483,-1.3311222731,0.1563671726,0.1563671726,GGA+U,P1,AB3CD_aP6_1_a_3a_a_a:Br-Cl-O-W,6.0,AB3CD_aP6_1_a_3a_a_a:Br-Cl-O-W +mp-1213150,CsNd(WO4)2,-8.5639650908,-2.6345217613000003,0.0,-0.0259042267,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-Nd-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-Nd-O-W +mp-572149,Cs2Al(NO3)5,-6.6251904559,-1.3460954182,0.0,-0.0644961033,GGA,P3_121,AB2C5D15_hP69_152_a_ab_a2c_a7c:Al-Cs-N-O,69.0,"Invalid WP multiplicities - AB2C5D15_hP69_152_a_3a2b_3a10c_3a36c:Al-Cs-N-O, expected Cs5AlN23O75 to be Cs2Al(NO3)5" +mp-1216268,Y9Lu3Al20O48,-8.4937587849,-3.6923379559,0.0011105635,0.0011105635,GGA,C2,A20B3C48D9_mC160_5_2a2b8c_ac_24c_a2b3c:Al-Lu-O-Y,80.0,"Invalid WP multiplicities - A20B3C48D9_mC160_5_2a2b10c_ac_36c_a2b3c:Al-Lu-O-Y, expected Y3LuAl8O24 to be Y9Lu3Al20O48" +mp-1247035,MgVCoS4,-5.9720508521,-1.0665789404,0.1331495622,0.1331495622,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Co-Mg-S-V, expected MgVCoS12 to be MgVCoS4" +mp-1022082,Mg6VCo,-2.9828882425,0.2413497781,0.3003417533,0.3003417533,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-V, expected Mg12VCo to be Mg6VCo" +mp-1022103,Mg6VCo,-2.9552028556,0.269035165,0.3280271402,0.3280271402,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-V, expected Mg12VCo to be Mg6VCo" +mp-1247001,Mg2VCo3S8,-5.7417859129,-0.9774274493,0.1222335761,0.1222335761,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Mg-S-V, expected Mg2VCo3S22 to be Mg2VCo3S8" +mp-1026907,Mg14VCo,-2.2380963319,0.1741627034,0.2122614009,0.2122614009,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-V, expected Mg26VCo to be Mg14VCo" +mp-1077935,V2CoS4,-7.0729018057,-1.0983404625,0.0163342071,0.0163342071,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Co-S-V,7.0,AB4C2_mC14_12_a_2i_i:Co-S-V +mp-1247163,Mg2V3CoS8,-6.2126172271,-1.1660318671,0.1280960057,0.1280960057,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Co-Mg-S-V, expected Mg2V3CoS16 to be Mg2V3CoS8" +mp-556821,RbEu(SO4)2,-7.3099189596,-2.3862568516,0.0,-0.1085197677,GGA,C2/c,AB8CD2_mC48_15_e_4f_c_f:Eu-O-Rb-S,24.0,"Invalid WP multiplicities - AB8CD2_mC48_15_e_10f_a_f:Eu-O-Rb-S, expected RbEu(SO10)2 to be RbEu(SO4)2" +mp-1222014,Mn3Zn(IO3)8,-5.5717838275,-1.1480824565,0.0020480174,0.0020480174,GGA+U,P1,A8B3C24D_aP36_1_8a_3a_24a_a:I-Mn-O-Zn,36.0,A8B3C24D_aP36_1_8a_3a_24a_a:I-Mn-O-Zn +mp-1222103,MnZn4(IO3)10,-4.8787128257,-0.9379280575,0.1528564323,0.1528564323,GGA+U,P1,A10BC30D4_aP90_1_20a_2a_60a_8a:I-Mn-O-Zn,90.0,A10BC30D4_aP90_1_20a_2a_60a_8a:I-Mn-O-Zn +mp-27500,NaSO2,-5.6373318931,-1.7992437474,0.1376870506,0.1376870506,GGA,P2/c,AB2C_mP16_13_g_2g_g:Na-O-S,16.0,AB2C_mP16_13_g_2g_g:Na-O-S +mp-1173730,Na2SO4,-5.2636427207,-1.468177678,0.7433340436,0.6138841214,GGA,P1,A2B4C_aP14_1_4a_8a_2a:Na-O-S,14.0,A2B4C_aP14_1_4a_8a_2a:Na-O-S +mp-1173871,Na2SO4,-5.6351810686,-1.8397160259,0.3717956957,0.2423457736,GGA,P1,A2B4C_aP14_1_4a_8a_2a:Na-O-S,14.0,A2B4C_aP14_1_4a_8a_2a:Na-O-S +mp-505274,Na2SO4,-6.00059676,-2.2051317173,0.0063800043,-0.1230699179,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Na-O-S,28.0,A2B4C_oP28_62_ac_2cd_c:Na-O-S +mp-3143,Na2SO4,-6.0030486593,-2.2075836166,0.003928105,-0.1255218171,GGA,Cmcm,A2B4C_oC28_63_ac_fg_c:Na-O-S,14.0,A2B4C_oC28_63_ac_fg_c:Na-O-S +mp-4770,Na2SO4,-6.0069767643,-2.2115117216,0.0,-0.1294499221,GGA,Fddd,A2B4C_oF56_70_e_h_a:Na-O-S,14.0,A2B4C_oF56_70_e_h_a:Na-O-S +mp-22424,Na2SO4,-4.3642261414,-0.5687610987,1.6427506229,1.5133007007,GGA,P-3m1,A2B4C_hP14_164_abd_di_d:Na-O-S,14.0,A2B4C_hP14_164_abd_di_d:Na-O-S +mp-1104405,Na(SO2)2,-5.2815410621,-1.0840867947,0.6987178677,0.6987178677,GGA,C2,AB4C2_mC28_5_c_4c_2c:Na-O-S,14.0,AB4C2_mC28_5_c_4c_2c:Na-O-S +mp-1180435,Na2SO9,-5.0455826892,-0.7704411179,0.5196073864,0.5196073864,GGA,P4_322,A2B9C_tP48_95_ab_c4d_a:Na-O-S,48.0,A2B9C_tP48_95_ab_c4d_a:Na-O-S +mp-1196631,Na2SO9,-4.9633432415000005,-0.6882016702,0.6018468341000001,0.6018468341000001,GGA,P4_322,A2B9C_tP48_95_ab_c4d_a:Na-O-S,48.0,A2B9C_tP48_95_ab_c4d_a:Na-O-S +mp-1173684,Na2S2O3,-4.4656966948,-0.7859800584000001,1.0857859938,1.0857859938,GGA,P1,A2B3C2_aP21_1_6a_9a_6a:Na-O-S,21.0,A2B3C2_aP21_1_6a_9a_6a:Na-O-S +mp-4199,Na2S2O3,-5.4182376871,-1.7385210508000002,0.1332450014,0.1332450014,GGA,P2_1/c,A2B3C2_mP28_14_2e_3e_2e:Na-O-S,28.0,"Invalid WP multiplicities - A2B3C2_mP28_14_5e_7e_3e:Na-O-S, expected Na5S3O7 to be Na2S2O3" +mp-559658,Na2S2O3,-5.4167080101,-1.7369913738,0.1347746785,0.1347746785,GGA,Pna2_1,A2B3C2_oP84_33_6a_9a_6a:Na-O-S,84.0,"Invalid WP multiplicities - A2B3C2_oP84_33_22a_33a_21a:Na-O-S, expected Na22(S7O11)3 to be Na2S2O3" +mp-1210848,Na2SO2,-4.418334178,-1.0833586027,0.834119798,0.834119798,GGA,Fddd,A2B2C_oF80_70_h_h_c:Na-O-S,20.0,A2B2C_oF80_70_h_h_c:Na-O-S +mp-728468,ThSO6,-7.5899478209,-2.4361427729000003,0.16847247,0.16847247,GGA,Pnma,A6BC_oP32_62_2c2d_c_c:O-S-Th,32.0,A6BC_oP32_62_2c2d_c_c:O-S-Th +mp-1210547,Na(SO3)2,-6.0106052961,-1.6466544856,0.2176491523,0.2176491523,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Na-O-S,18.0,AB6C2_mP18_14_a_3e_e:Na-O-S +mp-31269,Na2S2O7,-6.2017699764,-2.0613362219,0.0,-0.0800439103,GGA,P-1,A2B7C2_aP22_2_2i_7i_2i:Na-O-S,22.0,A2B7C2_aP22_2_2i_7i_2i:Na-O-S +mp-16180,Na6S2O9,-5.6677224612,-2.0954724673,0.0,-0.0202934424,GGA,Fm-3m,A6B9C2_cF68_225_e_af_c:Na-O-S,17.0,A6B9C2_cF68_225_e_af_c:Na-O-S +mp-554328,NaSO4,-5.9457841333,-1.7381624658,0.1513957376,0.1513957376,GGA,P-1,AB4C_aP12_2_i_4i_i:Na-O-S,12.0,"Invalid WP multiplicities - AB4C_aP12_2_i_7i_i:Na-O-S, expected NaSO7 to be NaSO4" +mp-1192307,NaSO4,-6.0199742667,-1.8123525991,0.0772056043,0.0772056043,GGA,P-1,AB4C_aP24_2_2i_8i_2i:Na-O-S,24.0,AB4C_aP24_2_2i_8i_2i:Na-O-S +mp-1182743,Na2Th(SO6)3,-5.9999232936,-1.3537293253,0.4816252926,0.4816252926,GGA,P2_1/c,A2B18C3D_mP96_14_2e_18e_3e_e:Na-O-S-Th,96.0,A2B18C3D_mP96_14_2e_18e_3e_e:Na-O-S-Th +mp-1180310,Na2SO5,-4.9272967931,-0.9879287919,0.9471439645,0.9471439645,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-S,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-S +mp-1190448,Na2SO5,-4.7689764713,-0.82960847,1.1054642864,1.1054642864,GGA,Cmcm,A2B5C_oC32_63_ac_ch_c:Na-O-S,16.0,A2B5C_oC32_63_ac_ch_c:Na-O-S +mp-8136,ThSO,-8.9302001267,-3.431201184,0.0,-0.0869433642,GGA,P4/nmm,ABC_tP6_129_a_c_c:O-S-Th,6.0,ABC_tP6_129_a_c_c:O-S-Th +mp-1179369,Th(SO8)2,-5.9649810105,-0.9737295703,0.5298456286000001,0.5298456286000001,GGA,P2_1/c,A16B2C_mP76_14_16e_2e_e:O-S-Th,76.0,A16B2C_mP76_14_16e_2e_e:O-S-Th +mp-35248,Na2SO3,-5.0679739625,-1.4643795312,0.6246183067000001,0.6246183067000001,GGA,C222_1,A2B3C_oC24_20_ab_ac_a:Na-O-S,12.0,"Invalid WP multiplicities - A2B3C_oC24_20_2ab_2ac_a:Na-O-S, expected Na3SO4 to be Na2SO3" +mp-21282,Na2SO3,-5.63101984,-2.0274254087,0.0615724292,0.0615724292,GGA,P-3,A2B3C_hP12_147_abd_g_d:Na-O-S,12.0,"Invalid WP multiplicities - A2B3C_hP12_147_ab2d_g_d:Na-O-S, expected Na3SO3 to be Na2SO3" +mp-37430,Na4S2O5,-5.2564021809,-1.7749072297,0.2361272277,0.2361272277,GGA,P1,A4B5C2_aP11_1_4a_5a_2a:Na-O-S,11.0,A4B5C2_aP11_1_4a_5a_2a:Na-O-S +mp-1173866,Na2S2O5,-5.3310094407,-1.3697434544,0.6178710348,0.6178710348,GGA,P1,A2B5C2_aP54_1_12a_30a_12a:Na-O-S,54.0,A2B5C2_aP54_1_12a_30a_12a:Na-O-S +mp-31370,Na2S2O5,-5.8882680261,-1.9270020398,0.0606124494,0.0606124494,GGA,P2_1/c,A2B5C2_mP72_14_4e_10e_4e:Na-O-S,72.0,A2B5C2_mP72_14_4e_10e_4e:Na-O-S +mp-1202893,Th(SO4)2,-7.620745132,-2.5970844344,0.0,-0.2577042654,GGA,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-Th,88.0,A8B2C_oP88_61_8c_2c_c:O-S-Th +mp-1182600,Na2SO14,-4.9693719576,-0.4967165217,0.4139059519,0.4139059519,GGA,P2_1/c,A2B14C_mP68_14_2e_14e_e:Na-O-S,68.0,A2B14C_mP68_14_2e_14e_e:Na-O-S +mp-16135,Sm3NbS3O4,-8.156849797,-3.0247436252,0.0041918367,0.0041918367,GGA,Pna2_1,AB4C3D3_oP44_33_a_4a_3a_3a:Nb-O-S-Sm,44.0,AB4C3D3_oP44_33_a_4a_3a_3a:Nb-O-S-Sm +mp-1201050,Sm2Nb2S7O30,-7.3133689641,-2.2646959701,0.0,-0.0052703464,GGA,P-42_1m,A2B30C7D2_tP82_113_e_5e5f_cef_e:Nb-O-S-Sm,82.0,A2B30C7D2_tP82_113_e_5e5f_cef_e:Nb-O-S-Sm +mp-8310,Li(NiP)2,-5.461196778,-0.60203653,0.0,-0.0177961759,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Li-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Li-Ni-P +mp-1869741,Li(NiS2)2,-4.8900359214,-0.6021793937000001,0.2020503557,0.2020503557,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Li-Ni-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h3i:Li-Ni-S, expected Li(NiS6)2 to be Li(NiS2)2" +mp-1045397,Li(NiS2)2,-5.0287204193,-0.7408638915,0.0633658579,0.0633658579,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Li-Ni-S,14.0,AB2C4_cF56_227_a_d_e:Li-Ni-S +mp-541010,Li2Ni12P7,-5.8695225157,-0.5803509233,0.0,-0.0281642606,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Li-Ni-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Li-Ni-P +mp-1211138,Li5Ni9P7,-5.3729471757,-0.6368061281,0.0,-0.0192969303,GGA,P-6,A5B9C7_hP21_174_adj_j2k_fjk:Li-Ni-P,21.0,A5B9C7_hP21_174_adj_j2k_fjk:Li-Ni-P +mp-685439,LiNi3P2,-5.6209773556,-0.6083210356000001,0.0002574901,0.0002574901,GGA,Pm,AB3C2_mP84_6_5a5b2c_9a9b12c_6a6b8c:Li-Ni-P,84.0,AB3C2_mP84_6_5a5b2c_9a9b12c_6a6b8c:Li-Ni-P +mp-849803,Li2Ni2S3,-4.8751858271,-0.9055474423,0.0962510748,0.0962510748,GGA,C2/c,A2B2C3_mC56_15_2ef_2f_3f:Li-Ni-S,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_3e2f_7f_11f:Li-Ni-S, expected Li7(Ni7S11)2 to be Li2Ni2S3" +mp-775433,Li2Ni(PS3)2,-4.94534638,-0.8323203229,0.0274539852,0.0274539852,GGA,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Li-Ni-P-S,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Li-Ni-P-S +mp-754516,LiNiP,-4.9681134867,-0.6006594689,0.0394912667,0.0394912667,GGA,P4/nmm,ABC_tP6_129_c_a_c:Li-Ni-P,6.0,ABC_tP6_129_c_a_c:Li-Ni-P +mp-557500,LiNi(PS3)2,-5.023247098,-0.6898107219,0.0336854455,0.0336854455,GGA,C2,ABC2D6_mC20_5_a_a_c_3c:Li-Ni-P-S,10.0,"Invalid WP multiplicities - ABC2D6_mC20_5_a_a_c_4c:Li-Ni-P-S, expected LiNi(PS4)2 to be LiNi(PS3)2" +mp-754727,LiNiS2,-4.8627516013,-0.8722617811000001,0.0910214537,0.0910214537,GGA,P2/c,ABC2_mP8_13_e_f_g:Li-Ni-S,8.0,ABC2_hP4_164_a_b_d:Li-Ni-S +mp-2365577,LiNiS2,-4.8631330887,-0.8726432686000001,0.0906399663,0.0906399663,GGA,P-3m1,ABC2_hP4_164_a_b_d:Li-Ni-S,8.0,ABC2_hP4_164_a_b_d:Li-Ni-S +mp-774863,LiNi9S10,-5.360044102,-0.5953115192,0.1017975574,0.1017975574,GGA,P-1,AB9C10_aP20_2_a_e4i_5i:Li-Ni-S,20.0,"Invalid WP multiplicities - AB9C10_aP20_2_a_e7i_10i:Li-Ni-S, expected Li(Ni3S4)5 to be LiNi9S10" +mp-676685,LiNi9S10,-5.365645479,-0.6009128962,0.0961961804,0.0961961804,GGA,P2_1/c,AB9C10_mP40_14_a_b4e_5e:Li-Ni-S,40.0,"Invalid WP multiplicities - AB9C10_mP40_14_a_2b15e_18e:Li-Ni-S, expected Li(Ni8S9)4 to be LiNi9S10" +mp-769205,Li(NiS)2,-5.173975564,-0.8255563719000001,0.0370744025,0.0370744025,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Li-Ni-S,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_3e_3e:Li-Ni-S, expected Li(NiS)3 to be Li(NiS)2" +mp-755570,Li(NiS)2,-5.138850008,-0.7904308159000001,0.0721999585,0.0721999585,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Li-Ni-S,5.0,AB2C2_hP5_164_a_d_d:Li-Ni-S +mp-541146,Ge2C2(SeF2)3,-5.1753962821,-1.3553966719,0.2670230344,0.2670230344,GGA,Fd-3m,A2B6C2D3_cF208_227_e_g_e_f:C-F-Ge-Se,52.0,A2B6C2D3_cF208_227_e_g_e_f:C-F-Ge-Se +mp-1224186,Ho2VFeO6,-8.7113696325,-3.0714819038,0.0235893203,0.0235893203,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-Ho-O-V,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Fe-Ho-O-V, expected Ho2VFeO10 to be Ho2VFeO6" +mp-1224152,Ho(VFe5)2,-8.3403573869,-0.0749394554,0.0299495318,0.0299495318,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Ho-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Ho-V +mp-672127,Ti(PS3)2,-5.7402041772,-0.9023379293,0.0175598983,-0.0223237737,GGA,P1,A2B6C_aP18_1_4a_12a_2a:P-S-Ti,18.0,"Invalid WP multiplicities - A2B6C_oF72_43_b_4b_a:P-S-Ti, expected Ti(PS4)2 to be Ti(PS3)2" +mp-13666,Ti(PS3)2,-5.7577640756,-0.9198978276,0.0,-0.039883672,GGA,Fdd2,A2B6C_oF72_43_b_3b_a:P-S-Ti,18.0,"Invalid WP multiplicities - A2B6C_oF72_43_b_4b_a:P-S-Ti, expected Ti(PS4)2 to be Ti(PS3)2" +mp-685300,Ti4P8S29,-5.6111634609,-0.858835796,0.0006737084,0.0006737084,GGA,Cc,A8B29C4_mC164_9_8a_29a_4a:P-S-Ti,82.0,A8B29C4_mC164_9_16a_58a_8a:P-S-Ti +mp-1206827,CsTiS2,-5.73862573,-1.4726771994,0.1766380706,0.1766380706,GGA,R3m,AB2C_hR12_160_a_2a_a:Cs-S-Ti,4.0,AB2C_hR12_160_a_2a_a:Cs-S-Ti +mp-645687,CsTi(PS4)2,-5.4319847879,-1.0395599265,0.0,-0.0344052638,GGA,Cc,AB2C8D_mC96_9_2a_4a_16a_2a:Cs-P-S-Ti,48.0,"Invalid WP multiplicities - AB2C8D_mC96_9_3a_6a_32a_4a:Cs-P-S-Ti, expected Cs3Ti4(P3S16)2 to be CsTi(PS4)2" +mp-542011,Cs4Ti3S14,-5.4116023233,-1.355488815,0.0,-0.0153809634,GGA,C2/c,A4B14C3_mC84_15_2f_7f_ef:Cs-S-Ti,42.0,A4B14C3_mC84_15_2f_7f_ef:Cs-S-Ti +mp-680170,Cs2Ti2S9,-5.5425079408,-1.3263665885,0.0,-0.0120445377,GGA,R3,A2B9C2_hR117_146_3ab_9b_2b:Cs-S-Ti,39.0,"Invalid WP multiplicities - A2B9C2_hR117_146_3a2b_25b_5b:Cs-S-Ti, expected Cs3(TiS5)5 to be Cs2Ti2S9" +mp-3247,Cs2TiS3,-5.3084157908,-1.6258080639,0.0,-0.2366888332,GGA,Cmcm,A2B3C_oC24_63_g_ce_c:Cs-S-Ti,12.0,"Invalid WP multiplicities - A2B3C_oC24_63_g_c2e_c:Cs-S-Ti, expected Cs2TiS5 to be Cs2TiS3" +mp-1194994,KZnAs3F18,-4.7741022059,-2.5674013717,0.0,-0.0253986528,GGA,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Zn,92.0,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-K-Zn +mp-9583,K2ZnF4,-4.45490975,-2.8654158394,0.0,-0.0059328871,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:F-K-Zn,7.0,A4B2C_tI14_139_ce_e_a:F-K-Zn +mp-5878,KZnF3,-4.438915822,-2.8179999301,0.0,-0.0200050953,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-K-Zn,5.0,A3BC_cP5_221_c_a_b:F-K-Zn +mp-3125,K3Zn2F7,-4.44932976,-2.8467433572000003,0.0,-0.0010841467,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:F-K-Zn,12.0,A7B3C2_tI24_139_aeg_be_e:F-K-Zn +mp-1204630,Ba2SnS4O11,-6.3128201917,-1.9346592458,0.3653185337,0.3653185337,GGA,P-1,A2B11C4D_aP36_2_2i_11i_4i_i:Ba-O-S-Sn,36.0,A2B11C4D_aP36_2_2i_11i_4i_i:Ba-O-S-Sn +mp-1206579,La2MnP2O,-5.8105655467,-0.0093450089,1.9181513332,1.9181513332,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:La-Mn-O-P,6.0,A2BCD2_tP6_123_g_a_b_g:La-Mn-O-P +mp-1211346,La2MnP2O,-6.054980275,-0.2537597372,1.6737366049,1.6737366049,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:La-Mn-O-P,6.0,A2BCD2_tP6_123_g_a_b_g:La-Mn-O-P +mp-554412,RbTa(PO4)2,-8.2170443933,-2.9471755262,0.0,-0.0162644984,GGA,C2/m,A8B2CD_mC24_12_2ij_i_a_c:O-P-Rb-Ta,12.0,"Invalid WP multiplicities - A8B2CD_mC24_12_3ij_i_a_d:O-P-Rb-Ta, expected RbTa(PO5)2 to be RbTa(PO4)2" +mp-734428,Rb2Ta2P7O24,-7.9618053041,-2.753511875,0.0,-0.0006608971,GGA,P2_1/m,A24B7C2D2_mP70_11_2e11f_e3f_2e_f:O-P-Rb-Ta,70.0,A24B7C2D2_mP70_11_2e11f_e3f_2e_f:O-P-Rb-Ta +mp-1209262,Sm3VGeO9,-8.411835603,-3.2416291222,0.0,-0.0011455286,GGA+U,P2_1/c,AB9C3D_mP56_14_e_9e_3e_e:Ge-O-Sm-V,56.0,AB9C3D_mP56_14_e_9e_3e_e:Ge-O-Sm-V +mp-645272,TlV3(SeO6)2,-7.1970533367,-1.8655839563,0.0,-0.0087263191,GGA+U,P6_3,A12B2CD3_hP36_173_4c_ab_b_c:O-Se-Tl-V,36.0,"Invalid WP multiplicities - A12B2CD3_hP36_173_19c_2a2b_b_c:O-Se-Tl-V, expected TlV3Se4O57 to be TlV3(SeO6)2" +mp-1208048,TlVSeO5,-6.6772964016,-1.7178083702,0.0,-0.0134953986,GGA+U,Pna2_1,A5BCD_oP32_33_5a_a_a_a:O-Se-Tl-V,32.0,A5BCD_oP32_33_5a_a_a_a:O-Se-Tl-V +mp-1198646,Cs4BaV6O18,-7.659280276,-2.5198175984,0.0,-0.0135988749,GGA+U,R3c,AB4C18D6_hR174_161_a_ab_6b_2b:Ba-Cs-O-V,58.0,AB4C18D6_hR174_161_a_ab_6b_2b:Ba-Cs-O-V +mp-1210023,Np3HF12,-7.5377247172,-3.4643614235,0.142111565,0.142111565,GGA,Cm,A12BC3_mC64_8_4a10b_2a_2a2b:F-H-Np,32.0,"Invalid WP multiplicities - A12BC3_mC64_8_4a20b_2a_2a3b:F-H-Np, expected Np4HF22 to be Np3HF12" +mp-1210419,Np2CoH8F10,-5.4492603805,-1.674952038,0.4987380585,0.4987380585,GGA+U,P2_1/c,AB10C8D2_mP42_14_a_5e_4e_e:Co-F-H-Np,42.0,AB10C8D2_mP42_14_a_5e_4e_e:Co-F-H-Np +mp-1033108,YMg6AlO8,-6.4440821456,-2.7323798373,0.3676849591,0.3676849591,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Y, expected YMg6AlO12 to be YMg6AlO8" +mp-1033127,YMg6AlO8,-6.4644657325,-2.7527634242,0.3473013723,0.3473013723,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Y, expected YMg6AlO12 to be YMg6AlO8" +mp-1036690,YMg14AlO16,-6.3838574206,-2.8912640761,0.1857884718,0.1857884718,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Y, expected YMg18AlO20 to be YMg14AlO16" +mp-1036621,YMg14AlO16,-6.3803983466,-2.8878050021,0.1892475458,0.1892475458,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Y, expected YMg30AlO32 to be YMg14AlO16" +mp-1038321,YMg30AlO32,-6.3606883756,-2.9776495131000003,0.0878969106,0.0878969106,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Y, expected YMg90AlO80 to be YMg30AlO32" +mp-1038325,YMg30AlO32,-6.3616929794,-2.9786541168,0.0868923068,0.0868923068,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Y, expected YMg110AlO72 to be YMg30AlO32" +mp-1110964,K2NaCeI6,-3.436456952,-1.6047959078,0.0628775665,0.0628775665,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-I-K-Na +mp-1112262,K2IrAuF6,-4.540242376,-1.9600435881,0.26905565,0.26905565,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-K,10.0,AB6CD2_cF40_225_a_e_b_c:Au-F-Ir-K +mp-1112607,Cs2YHgF6,-5.143254709,-3.1402717063,0.0914838607,0.0914838607,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Hg-Y +mp-1112048,K2CeCuI6,-3.44671358,-1.3373843981,0.106975657,0.106975657,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Cu-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Cu-I-K +mp-555120,KGaCuF6,-4.82573971,-2.6361202162,0.0031730585,0.0031730585,GGA,P2_1/c,AB6CD_mP36_14_e_6e_ab_e:Cu-F-Ga-K,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_19e_2ab_e:Cu-F-Ga-K, expected K2Ga3Cu2F38 to be KGaCuF6" +mp-1111940,K2GaCuF6,-4.745305769,-2.6636083299,0.063398338,0.063398338,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-F-Ga-K +mp-1112260,K2MoAuF6,-5.157394628,-2.3764742471,0.1850194759,0.1850194759,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Mo,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Mo +mp-1212411,K2VAgSe2,-3.946749445,-0.4252356246,0.5074911671,0.5074911671,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Ag-K-Se-V,24.0,AB2C2D_oF96_70_c_h_h_d:Ag-K-Se-V +mp-1147776,K3VSe4,-4.4884724412,-1.1886288385,0.0,-0.0437012845,GGA,I-42m,A3B4C_tI16_121_ad_i_b:K-Se-V,8.0,A3B4C_tI16_121_ad_i_b:K-Se-V +mp-973666,KV5Se8,-6.3715724464,-1.0503423666,0.0,-0.0130317988,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:K-Se-V,14.0,"Invalid WP multiplicities - AB8C5_mC28_12_a_7i_c3i:K-Se-V, expected K(VSe2)7 to be KV5Se8" +mp-671861,K2VAgSe4,-4.5984350062,-1.0833217715,0.0079939794,-0.0908347007,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-Se-V,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-Se-V +mp-14634,K2VAgSe4,-4.6064289856,-1.0913157509,0.0,-0.0988286801,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-K-Se-V,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-K-Se-V +mp-1185139,K3V,-2.221681295,0.8820944327,0.8820944327,0.8820944327,GGA,I4/mmm,A3B_tI8_139_ad_b:K-V,4.0,A3B_tI8_139_ad_b:K-V +mp-973444,K3V,-2.2209050475,0.8828706802,0.8828706802,0.8828706802,GGA,Fm-3m,A3B_cF16_225_ac_b:K-V,4.0,A3B_cF16_225_ac_b:K-V +mp-553963,YbSeO3F,-5.9760038021,-2.3448263256,0.0364853771,0.0364853771,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:F-O-Se-Yb,,"Invalid WP multiplicities - AB3CD_mP24_14_e_10e_e_e:F-O-Se-Yb, expected YbSeO10F to be YbSeO3F" +mp-1207520,YbSeF,-4.7231471367,-2.4074808949,0.6000992888000001,0.6000992888000001,GGA,P6_3/mmc,ABC_hP12_194_bc_f_ad:F-Se-Yb,,ABC_hP12_194_bc_f_ad:F-Se-Yb +mp-1210689,Mg(H3Cl)2,-3.0397831556,-0.1893709733,0.5658014478,0.5658014478,GGA,C2/m,A2B6C_mC18_12_i_ij_a:Cl-H-Mg,9.0,A2B6C_mC18_12_i_ij_a:Cl-H-Mg +mp-27207,K2MgCl4,-3.86487119,-2.2626962494,0.0,-0.0013407129,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:Cl-K-Mg,7.0,A4B2C_tI14_139_ce_e_a:Cl-K-Mg +mp-27865,KMgCl3,-3.9119917455,-2.2607339501,0.0028086035,0.0028086035,GGA,Pnma,A3BC_oP20_62_cd_c_a:Cl-K-Mg,20.0,"Invalid WP multiplicities - A3BC_oP20_62_c2d_c_a:Cl-K-Mg, expected KMgCl5 to be KMgCl3" +mp-23956,K2MgH4,-2.83213485,-0.3475659751,0.0,-0.01290127,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:H-K-Mg,7.0,A4B2C_tI14_139_ce_e_a:H-K-Mg +mp-1211609,K3Mg2Cl7,-3.8823219992,-2.2596958691,0.0033530071,0.0033530071,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:Cl-K-Mg,12.0,A7B3C2_tI24_139_aeg_be_e:Cl-K-Mg +mp-1017580,KMgH3,-1.886475082,0.6912963444,1.048648856,1.022915324,GGA,Pm-3m,A3BC_cP5_221_c_b_a:H-K-Mg,5.0,A3BC_cP5_221_c_b_a:H-K-Mg +mp-23737,KMgH3,-2.9351239380000003,-0.3573525116,0.0,-0.025733532,GGA,Pm-3m,A3BC_cP5_221_c_a_b:H-K-Mg,5.0,A3BC_cP5_221_c_a_b:H-K-Mg +mp-1111939,K2CrCuF6,-5.460548538,-2.7163559541,0.0518678011,0.0518678011,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Cu-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Cu-F-K +mp-541136,KCrCuF6,-5.6009738925,-2.6752486823,0.0004200044,0.0004200044,GGA+U,P2_1/c,ABC6D_mP36_14_ab_e_6e_e:Cr-Cu-F-K,36.0,ABC6D_mP36_14_ab_e_6e_e:Cr-Cu-F-K +mp-1112157,K2NiHgF6,-4.401604224,-2.4242553496,0.007612065,0.007612065,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ni,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-K-Ni +mp-1111061,Na2YHgF6,-4.971597435,-2.883189848,0.3691001115,0.3691001115,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Na-Y +mp-1095744,NaYHg2,-1.0262265,1.0728627842,1.4545687369,1.4545687369,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-Na-Y,4.0,A2BC_oI8_71_e_a_b:Hg-Na-Y +mp-1216907,V11FeB8,-8.795077571,-0.7036714637,0.0125942225,0.0125942225,GGA,P2/m,A8BC11_mP20_10_4m_a_cm4n:B-Fe-V,20.0,"Invalid WP multiplicities - A8BC11_mP20_10_8m_a_cm8n:B-Fe-V, expected V19FeB16 to be V11FeB8" +mp-1220671,Nd4V3Fe25B2,-8.0362227607,-0.0528809451,0.0618828793,0.0618828793,GGA,Cmm2,A2B25C4D3_oC136_35_de_2c3d4e8f_2d2e_2a2bd:B-Fe-Nd-V,68.0,"Invalid WP multiplicities - A2B25C4D3_oC136_35_de_4c3d4e16f_2d2e_2a2bd:B-Fe-Nd-V, expected Nd4V3Fe43B2 to be Nd4V3Fe25B2" +mp-625179,Cu(HO)2,-5.19769733,-1.0420900935,0.1045147545,0.1045147545,GGA,P2_1,AB2C2_mP10_4_a_2a_2a:Cu-H-O,10.0,AB2C2_mP10_4_a_2a_2a:Cu-H-O +mp-625181,Cu(HO)2,-5.193221526,-1.0376142895,0.1089905585,0.1089905585,GGA,Cc,AB2C2_mC20_9_a_2a_2a:Cu-H-O,10.0,AB2C2_mC20_9_a_2a_2a:Cu-H-O +mp-505105,Cu(HO)2,-5.204359017,-1.0487517805,0.0978530675,0.0978530675,GGA,Cmc2_1,AB2C2_oC20_36_a_2a_2a:Cu-H-O,10.0,AB2C2_oC20_36_a_2a_2a:Cu-H-O +mp-996953,CuHO2,-5.3297015825,-0.9833740481,0.0185789498,0.0185789498,GGA,C2/m,ABC2_mC8_12_a_d_i:Cu-H-O,4.0,ABC2_mC8_12_a_c_i:Cu-H-O +mp-996956,CuHO2,-5.3386579887,-0.9923304544,0.0096225436,0.0096225436,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Cu-H-O,8.0,ABC2_oP8_31_a_a_2a:Cu-H-O +mp-996999,CuHO2,-5.3049463012,-0.9586187669,0.0433342311,0.0433342311,GGA,Cmc2_1,ABC2_oC16_36_a_a_2a:Cu-H-O,8.0,ABC2_oC16_36_a_a_2a:Cu-H-O +mp-1192782,CuRe2(H2O3)4,-6.6004067274,-1.5790878607,0.0,-0.028679006,GGA,P-1,AB8C12D2_aP23_2_a_4i_6i_i:Cu-H-O-Re,23.0,AB8C12D2_aP23_2_a_4i_6i_i:Cu-H-O-Re +mp-1214873,Cd2P4PdO8,-6.263278358,-1.7131196216,0.3261104567,0.3261104567,GGA,Fddd,A2B8C4D_oF120_70_c_2h_h_b:Cd-O-P-Pd,30.0,A2B8C4D_oF120_70_c_2h_h_b:Cd-O-P-Pd +mp-13675,CdPd3O4,-5.4617512706,-0.9305900162,0.003593825,0.003593825,GGA,Pm-3n,AB4C3_cP16_223_a_e_c:Cd-O-Pd,16.0,AB4C3_cP16_223_a_e_c:Cd-O-Pd +mp-1078100,CdPPd5,-5.0597030457,-0.4546171433,0.0,-0.0454489954,GGA,P4/mmm,ABC5_tP7_123_c_b_ai:Cd-P-Pd,7.0,ABC5_tP7_123_c_b_ai:Cd-P-Pd +mp-1232324,CdPd2O3,-4.8602730133000005,-0.5064864277,0.47560451,0.47560451,GGA,P4/mmm,AB3C2_tP6_123_a_bf_e:Cd-O-Pd,6.0,AB3C2_tP6_123_a_bf_e:Cd-O-Pd +mp-16097,CeSc3(BO3)4,-8.9940093165,-3.4435929121,0.0,-0.0131485984,GGA,R32,A4BC12D3_hR60_155_ad_b_2df_e:B-Ce-O-Sc,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_155_ad_b_3df_e:B-Ce-O-Sc, expected CeSc3B4O15 to be CeSc3(BO3)4" +mp-1227435,BaVSeS2,-6.134293478,-1.5799550337,0.05452056,0.05452056,GGA,Amm2,AB2CD_oC20_38_ab_abd_e_c:Ba-S-Se-V,10.0,AB2CD_oC20_38_ab_abd_e_c:Ba-S-Se-V +mp-1227466,BaVSe2S,-5.959749099,-1.5335183326,0.04236349,0.04236349,GGA,Amm2,ABC2D_oC20_38_ab_d_abe_c:Ba-S-Se-V,10.0,ABC2D_oC20_38_ab_d_abe_c:Ba-S-Se-V +mp-558408,Nb4Te9I4O,-5.3343958189,-0.9157776349,0.0064571095,0.0064571095,GGA,C2/c,A4B4CD9_mC72_15_2f_2f_e_e4f:I-Nb-O-Te,36.0,"Invalid WP multiplicities - A4B4CD9_mC72_15_4f_3f_e_2e13f:I-Nb-O-Te, expected Nb6Te28I8O to be Nb4Te9I4O" +mp-560687,Nb3Te8I7O,-4.6243818446,-0.9027705063,0.0,-0.031845468,GGA,P2_1/c,A7B3CD8_mP76_14_7e_3e_e_8e:I-Nb-O-Te,76.0,"Invalid WP multiplicities - A7B3CD8_mP76_14_25e_10e_e_31e:I-Nb-O-Te, expected Nb10Te31I25O to be Nb3Te8I7O" +mp-1213222,CuAg2(PO3)4,-6.8722210389,-2.0944424475,0.0,-0.0040201211,GGA,C2/c,A2BC12D4_mC76_15_f_e_2e5f_2f:Ag-Cu-O-P,38.0,A2BC12D4_mC76_15_f_e_2e5f_2f:Ag-Cu-O-P +mp-1192472,CuAgPO4,-6.2800426629,-1.6897826593,0.0239867289,0.0239867289,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Ag-Cu-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Ag-Cu-O-P +mp-608358,CuAgPO4,-6.2814688752,-1.6912088716,0.0225605166,0.0225605166,GGA,Pbca,ABC4D_oP56_61_c_c_4c_c:Ag-Cu-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_27c_c:Ag-Cu-O-P, expected CuAgPO27 to be CuAgPO4" +mp-1204064,Cu3Ag5(PO4)4,-6.2003910848,-1.6553686051,0.027558118,0.027558118,GGA,C2/c,A5B3C16D4_mC112_15_e2f_cf_8f_2f:Ag-Cu-O-P,56.0,A5B3C16D4_mC112_15_e2f_cf_8f_2f:Ag-Cu-O-P +mp-1213198,CuAg2P2O7,-6.4436378271,-1.8421591047,0.0,-0.0318336064,GGA,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:Ag-Cu-O-P,24.0,A2BC7D2_mC48_15_f_c_e3f_f:Ag-Cu-O-P +mp-1195349,Cu3Ag2P2O9,-6.1814066248,-1.5995606604,0.0179164405,0.0179164405,GGA,P2_1/c,A2B3C9D2_mP128_14_4e_6e_18e_4e:Ag-Cu-O-P,128.0,A2B3C9D2_mP128_14_4e_6e_18e_4e:Ag-Cu-O-P +mp-709946,CsAu(SO4)2,-5.9931135404,-1.6584723908,0.0327395169,-0.0585177451,GGA,P1,ABC8D2_aP48_1_4a_4a_32a_8a:Au-Cs-O-S,48.0,ABC8D2_aP48_1_4a_4a_32a_8a:Au-Cs-O-S +mp-555376,CsAu(SO4)2,-6.0258530573,-1.6912119076,0.0,-0.091257262,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Au-Cs-O-S,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_29e_6e:Au-Cs-O-S, expected CsAuS6O29 to be CsAu(SO4)2" +mp-555358,Ba2UCu2S5,-6.021709624,-1.6207073676,0.0,-0.0459382247,GGA,C2/m,A2B2C5D_mC20_12_i_i_a2i_d:Ba-Cu-S-U,10.0,"Invalid WP multiplicities - A2B2C5D_mC20_12_i_i_a4i_d:Ba-Cu-S-U, expected Ba2UCu2S9 to be Ba2UCu2S5" +mp-1024975,CeB2Pt2C,-7.4048827917,-0.6277486535,0.0332931835,0.0332931835,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Pt,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Pt +mp-22435,CeBPt3,-7.041178312,-0.8760021348,0.0,-0.0623431377,GGA,P4mm,ABC3_tP5_99_a_b_ac:B-Ce-Pt,5.0,"Invalid WP multiplicities - ABC3_tP5_99_a_b_a2c:B-Ce-Pt, expected CeBPt5 to be CeBPt3" +mp-20051,CeBPt4,-6.9106070075,-0.7611046399,0.0,-0.0174509754,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Ce-Pt,12.0,"Invalid WP multiplicities - ABC4_hP12_191_c_ab_2d2i:B-Ce-Pt, expected CeBPt8 to be CeBPt4" +mp-10468,CeBPt2,-7.056551885,-0.8678649935,0.015580328,0.015580328,GGA,P6_222,ABC2_hP12_180_d_c_i:B-Ce-Pt,12.0,ABC2_hP12_180_d_c_i:B-Ce-Pt +mp-1218971,SmThN2,-8.936877065000001,-1.7355185063,0.0,-0.030737635,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Sm-Th,4.0,A2BC_hR12_166_c_a_b:N-Sm-Th +mp-568498,Sm2(CN2)3,-8.8797744518,-0.9577618793,0.0,-0.3552017884,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Sm,11.0,"Invalid WP multiplicities - A3B6C2_mC22_12_ai_6i_i:C-N-Sm, expected Sm2(CN4)3 to be Sm2(CN2)3" +mp-569221,Sm(C2N3)3,-8.6436150722,-0.1986754837,0.1305551623,0.1305551623,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Sm,32.0,"Invalid WP multiplicities - A6B9C_oC64_63_3g3h_2c3f2g6h_c:C-N-Sm, expected Sm(CN2)18 to be Sm(C2N3)3" +mp-1218989,SmThCN,-8.3664175275,-0.9420163269,0.0441088415,0.0441088415,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Sm-Th,4.0,ABCD_hR12_160_a_a_a_a:C-N-Sm-Th +mp-2240484,MgCrP2S7,-5.3361915236,-0.6966386508,0.1766773169,0.1766773169,GGA,P1,ABC2D7_aP11_1_a_a_2a_7a:Cr-Mg-P-S,11.0,ABC2D7_aP11_1_a_a_2a_7a:Cr-Mg-P-S +mp-1206294,CeB2Pd2C,-6.9728689567,-0.4928186551,0.077558876,0.077558876,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Pd,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Ce-Pd +mp-1226779,Ce2BPd6,-6.1632809689,-0.649407531,0.1122253881,0.1122253881,GGA,P4/mmm,AB2C6_tP9_123_a_h_efg:B-Ce-Pd,9.0,"Invalid WP multiplicities - AB2C6_tP9_123_a_h_2e2fg:B-Ce-Pd, expected Ce2BPd10 to be Ce2BPd6" +mp-19948,CeBPd3,-6.127735544,-0.4973102728,0.2078660687,0.2078660687,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ce-Pd,5.0,ABC3_cP5_221_b_a_c:B-Ce-Pd +mp-691187,LiPrS2,-5.7359277550000005,-1.9952456661,0.0409909906,0.0409909906,GGA,P1,ABC2_aP8_1_2a_2a_4a:Li-Pr-S,8.0,"Invalid WP multiplicities - ABC2_oI16_74_e_e_3e:Li-Pr-S, expected LiPrS3 to be LiPrS2" +mp-675419,LiPrS2,-5.7427498513,-2.0020677624,0.0341688944,0.0341688944,GGA,Cc,ABC2_mC16_9_a_a_2a:Li-Pr-S,8.0,"Invalid WP multiplicities - ABC2_mC16_9_a_a_3a:Li-Pr-S, expected LiPrS3 to be LiPrS2" +mp-1222298,LiPrS2,-5.68609317,-1.9454110811,0.0908255756,0.0908255756,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Li-Pr-S,4.0,ABC2_tP4_123_a_d_bc:Li-Pr-S +mp-1173029,LiPrS2,-5.7421178175000005,-2.0014357286,0.0348009281,0.0348009281,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Pr-S,8.0,ABC2_tI16_141_a_b_e:Li-Pr-S +mp-559719,LiPr(SO4)2,-7.0755501142,-2.5308636104,0.0,-0.001023707,GGA,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Li-O-Pr-S,48.0,"Invalid WP multiplicities - AB8CD2_mP48_14_e_30e_e_6e:Li-O-Pr-S, expected LiPr(SO5)6 to be LiPr(SO4)2" +mp-1247025,LiPr(SO4)2,-6.94598362,-2.4012971162,0.1295664942,0.1285427872,GGA,P-4n2,AB8CD2_tP24_118_c_2i_d_f:Li-O-Pr-S,24.0,"Invalid WP multiplicities - AB8CD2_tP24_118_c_4i_d_f:Li-O-Pr-S, expected LiPr(SO8)2 to be LiPr(SO4)2" +mp-647969,CoAg(CO)4,-7.3830162482,-0.7187871869,0.3827398252,0.3827398252,GGA+U,C2/m,AB4CD4_mC80_12_j_2i3j_gi_2i3j:Ag-C-Co-O,40.0,"Invalid WP multiplicities - AB4CD4_mC80_12_j_4i10j_2g2i_3i11j:Ag-C-Co-O, expected Co4Ag2C24O25 to be CoAg(CO)4" +mp-17768,Nb3Cr3C,-9.9632080025,-0.1786761421,0.0336805346,0.0336805346,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Cr-Nb,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_2d2e_f:C-Cr-Nb, expected Nb3Cr6C to be Nb3Cr3C" +mp-1220451,Nb4Cr(CS2)2,-8.72536655,-0.9925121789,0.0320128577,0.0320128577,GGA,P2/m,A2BC4D4_mP11_10_bd_c_mn_mn:C-Cr-Nb-S,11.0,"Invalid WP multiplicities - A2BC4D4_mP11_10_ce_b_2m2n_2m2n:C-Cr-Nb-S, expected Nb8Cr(CS4)2 to be Nb4Cr(CS2)2" +mp-1079573,Pr2Fe2S2O3,-7.8383353811,-2.3255776258,0.0867512576,0.0867512576,GGA+U,I4/mmm,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Pr-S,9.0,A2B3C2D2_tI18_139_c_ad_e_e:Fe-O-Pr-S +mp-1112507,Cs2RbYI6,-3.545780516,-1.737979713,0.014399954,0.014399954,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Rb-Y +mp-557352,CaP2Xe5F22,-3.8409221288,-2.0054016946,0.0,-0.0224434772,GGA,Pna2_1,AB22C2D5_oP120_33_a_22a_2a_5a:Ca-F-P-Xe,120.0,"Invalid WP multiplicities - AB22C2D5_oP120_33_a_84a_2a_17a:Ca-F-P-Xe, expected CaP2Xe17F84 to be CaP2Xe5F22" +mp-569580,NaLa4I7N2,-5.2918836455000005,-1.8595187874,0.0,-0.1504658977,GGA,Pna2_1,A7B4C2D_oP56_33_7a_4a_2a_a:I-La-N-Na,56.0,"Invalid WP multiplicities - A7B4C2D_oP56_33_24a_14a_3a_a:I-La-N-Na, expected NaLa14(I8N)3 to be NaLa4I7N2" +mp-1105624,Na3LaN6,-4.5383349455,1.353920308,1.9018947671,1.9018947671,GGA,Fddd,AB6C3_oF80_70_a_eh_bf:La-N-Na,20.0,AB6C3_oF80_70_a_eh_bf:La-N-Na +mp-1111116,K2RbNbF6,-5.396816446,-2.9196653648,0.1518905692,0.1518905692,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Nb-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Nb-Rb +mp-1113891,KRb2NbF6,-5.455045177,-2.9908805833,0.0687290597,0.0687290597,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Nb-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Nb-Rb +mp-1194492,Al2TeSO9,-6.6884153373,-2.1275610433,0.1991649965,0.1991649965,GGA,P2_1/m,A2B9CD_mP26_11_f_3e3f_e_e:Al-O-S-Te,26.0,A2B9CD_mP26_11_f_3e3f_e_e:Al-O-S-Te +mp-1113137,Cs2KAsF6,-4.710440281,-2.8075206909,0.0,-0.01725295,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-K,10.0,AB2C6D_cF40_225_a_c_e_b:As-Cs-F-K +mp-1112326,CsK2AsF6,-4.600723533,-2.6763042854,0.132630753,0.132630753,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:As-Cs-F-K,10.0,ABC6D2_cF40_225_a_b_e_c:As-Cs-F-K +mp-8708,Mg(AuF4)2,-4.1620322518,-2.0311344527,0.0,-0.0262935879,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Au-F-Mg,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:Au-F-Mg, expected Mg(AuF5)2 to be Mg(AuF4)2" +mp-1202806,MgHAu2F11,-4.0317963065,-1.8606603907,0.0,-0.0506100852,GGA,P2_1/c,A2B11CD_mP60_14_2e_11e_e_e:Au-F-H-Mg,60.0,A2B11CD_mP60_14_2e_11e_e_e:Au-F-H-Mg +mp-1210728,Mg(AuF6)2,-3.6970258967,-1.624639786,0.0457859893,0.0457859893,GGA,P-4m2,A2B12C_tP15_115_g_2gl_a:Au-F-Mg,15.0,"Invalid WP multiplicities - A2B12C_tP15_115_g_2g2l_a:Au-F-Mg, expected Mg(AuF10)2 to be Mg(AuF6)2" +mp-1199678,Cs2P4Pd3O14,-6.89598581,-2.1900161509,0.0,-0.0396487083,GGA,Cmc2_1,A2B14C4D3_oC92_36_2a_2a6b_2b_3a:Cs-O-P-Pd,46.0,A2B14C4D3_oC92_36_2a_2a6b_2b_3a:Cs-O-P-Pd +mp-1225594,LaPbNO5,-7.1962288375,-1.9814047555,0.0206265627,0.0206265627,GGA,Cm,ABC5D_mC16_8_a_a_3ab_a:La-N-O-Pb,8.0,ABC5D_mC16_8_a_a_3ab_a:La-N-O-Pb +mp-1196738,LaPb8N7O33,-6.1551572623,-0.9259046989,0.3385152535,0.3385152535,GGA,Cc,AB7C33D8_mC196_9_a_7a_33a_8a:La-N-O-Pb,98.0,AB7C33D8_mC196_9_a_7a_33a_8a:La-N-O-Pb +mp-1227243,CaNp(PO4)2,-8.6125629142,-3.1664383921,0.0,-0.0363690557,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Ca-Np-O-P,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_16i_4i:Ca-Np-O-P, expected CaNp(PO4)4 to be CaNp(PO4)2" +mp-1183615,CaNp,-6.738667625,0.7380221556000001,0.7380221556000001,0.7380221556000001,GGA,R-3m,AB_hR6_166_a_b:Ca-Np,2.0,AB_hR6_166_a_b:Ca-Np +mp-1215989,YBiRu2O7,-7.8371345182,-2.0659903089,0.0161550631,0.0161550631,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Bi-O-Ru-Y,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e4j_bc_d:Bi-O-Ru-Y, expected YBiRu2O21 to be YBiRu2O7" +mp-1215993,YBi3(Ru2O7)2,-7.4655108505,-1.8137294586,0.0090577888,0.0090577888,GGA,R-3m,A3B14C4D_hR66_166_d_c2h_be_a:Bi-O-Ru-Y,22.0,"Invalid WP multiplicities - A3B14C4D_hR66_166_d_c4h_be_a:Bi-O-Ru-Y, expected YBi3(Ru2O13)2 to be YBi3(Ru2O7)2" +mp-1216097,Y3Bi(Ru2O7)2,-8.2192727973,-2.3287657706,0.0127377261,0.0127377261,GGA,R-3m,AB14C4D3_hR66_166_a_c2h_be_d:Bi-O-Ru-Y,22.0,"Invalid WP multiplicities - AB14C4D3_hR66_166_a_c4h_be_d:Bi-O-Ru-Y, expected Y3Bi(Ru2O13)2 to be Y3Bi(Ru2O7)2" +mp-1206763,Ba2ScUO6,-8.790717358,-3.6765212318,0.0,-0.0725292825,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sc-U,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sc-U +mp-1097959,LiEu4(BN2)3,-9.3302991571,-1.2592938051,0.0,-0.1301176344,GGA,Im-3m,A3B4CD6_cI28_229_b_c_a_e:B-Eu-Li-N,14.0,A3B4CD6_cI28_229_b_c_a_e:B-Eu-Li-N +mp-541167,RbHo(PO3)4,-7.7325028346,-2.9227018621000003,0.0030979916,0.0030979916,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Ho-O-P-Rb,72.0,AB12C4D_mP72_14_e_12e_4e_e:Ho-O-P-Rb +mp-1209402,Rb3Ho(PO4)2,-7.1048079586,-2.9673704021,0.0,-0.0361209471,GGA,P-3m1,AB8C2D3_hP14_164_a_di_d_bd:Ho-O-P-Rb,14.0,AB8C2D3_hP14_164_a_di_d_bd:Ho-O-P-Rb +mp-1209471,RbHoP2O7,-7.7891235125,-3.1512717912,0.0,-0.0187556578,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ho-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Ho-O-P-Rb +mp-33392,Sr(CeS2)2,-6.6228777357,-2.3226675599,0.0248263243,0.0248263243,GGA,I-42d,A2B4C_tI28_122_d_e_a:Ce-S-Sr,14.0,A2B4C_tI28_122_d_e_a:Ce-S-Sr +mp-1218416,SrCe2(SF2)2,-6.8346355022,-3.5596924614,0.0088044778,0.0088044778,GGA,I4/mmm,A2B4C2D_tI18_139_e_g_e_a:Ce-F-S-Sr,9.0,A2B4C2D_tI18_139_e_g_e_a:Ce-F-S-Sr +mp-4973,CeSF,-7.2301388467,-3.2364661835,0.0,-0.0280915485,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ce-F-S,6.0,ABC_tP6_129_c_a_c:Ce-F-S +mp-18626,Ni2Hg2SF6,-4.3763005282,-1.8514861862,0.0,-0.0230953863,GGA+U,Fd-3m,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Ni-S,22.0,A6B2C2D_cF88_227_f_c_d_a:F-Hg-Ni-S +mp-1222482,Li6AsS5I,-4.1662394877,-1.2225263116,0.0,-0.0020932299,GGA,P1,ABC6D5_aP13_1_a_a_6a_5a:As-I-Li-S,13.0,ABC6D5_aP13_1_a_a_6a_5a:As-I-Li-S +mp-1211176,Li6AsS5I,-4.1608768596,-1.2171636835,0.0053626281,0.0032693982,GGA,Cc,ABC6D5_mC52_9_a_a_6a_5a:As-I-Li-S,26.0,ABC6D5_mC52_9_a_a_6a_5a:As-I-Li-S +mp-1102943,Ba2Cd(BO3)2,-7.1650882345,-2.819655921,0.0,-0.0004592009,GGA,C2/m,A2B2CD6_mC22_12_i_i_a_ij:B-Ba-Cd-O,11.0,A2B2CD6_mC22_12_i_i_a_ij:B-Ba-Cd-O +mp-1190588,Ba2Cd(BO2)6,-7.8597333219,-2.89794976,0.0,-0.0042105618,GGA,R-3,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Cd-O,21.0,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Cd-O +mp-1194771,RbSr(BH4)3,-4.2120820057,-0.4814399247,0.0,-0.0990259327,GGA,Pna2_1,A3B12CD_oP68_33_3a_12a_a_a:B-H-Rb-Sr,68.0,A3B12CD_oP68_33_3a_12a_a_a:B-H-Rb-Sr +mp-733538,TeOs3(CO)9,-8.3251404056,-0.8522496775,0.2582219835,0.2582219835,GGA,C2/c,A9B9C3D_mC176_15_9f_9f_3f_f:C-O-Os-Te,88.0,A9B9C3D_mC176_15_9f_9f_3f_f:C-O-Os-Te +mp-1209155,ScCu(WO4)2,-8.6677036958,-2.3409165354,0.0287976002,0.0287976002,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Cu-O-Sc-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Cu-O-Sc-W +mp-1226424,Cs3Er5(PS4)6,-5.523083703,-1.3841517817,0.0,-0.0383496888,GGA,Cc,A3B5C6D24_mC152_9_3a_5a_6a_24a:Cs-Er-P-S,76.0,"Invalid WP multiplicities - A3B5C6D24_mC152_9_4a_7a_9a_36a:Cs-Er-P-S, expected Cs4Er7(PS4)9 to be Cs3Er5(PS4)6" +mp-1226964,Cd2MoWO8,-7.2982031633,-1.8629473675,0.0462462914,0.0462462914,GGA+U,I-4,A2BC8D_tI24_82_ac_b_2g_d:Cd-Mo-O-W,12.0,"Invalid WP multiplicities - A2BC8D_tI24_82_ac_b_3g_d:Cd-Mo-O-W, expected Cd2MoWO12 to be Cd2MoWO8" +mp-1226872,Cd4Mo3WO16,-7.1892030679,-1.8419672771,0.0234610228,0.0234610228,GGA+U,P-4,A4B3C16D_tP24_81_adg_bg_4h_c:Cd-Mo-O-W,24.0,"Invalid WP multiplicities - A4B3C16D_tP24_81_adg_bg_16h_c:Cd-Mo-O-W, expected Cd4Mo3WO64 to be Cd4Mo3WO16" +mp-1226936,Cd4MoW3O16,-7.4762348188,-1.9529590179,0.0,-0.0028837133,GGA+U,C2,A4BC16D3_mC48_5_2c_a_8c_a2b:Cd-Mo-O-W,24.0,"Invalid WP multiplicities - A4BC16D3_mC48_5_2c_a_12c_a2b:Cd-Mo-O-W, expected Cd4Mo(WO8)3 to be Cd4MoW3O16" +mp-1224561,K3Zn4As3O17,-5.2927232657,-1.3504553181,0.2620186406,0.2620186406,GGA,Iba2,A3B3C17D4_oI108_45_ac_bc_a8c_2c:As-K-O-Zn,54.0,"Invalid WP multiplicities - A3B3C17D4_oI108_45_2ac_2b3c_a27c_4c:As-K-O-Zn, expected K8Zn8As4O55 to be K3Zn4As3O17" +mp-556819,Tl2Cd2(SO4)3,-5.9061335114,-1.7829398299,0.0,-0.0090860474,GGA,P2_12_12_1,A2B12C3D2_oP76_19_2a_12a_3a_2a:Cd-O-S-Tl,76.0,"Invalid WP multiplicities - A2B12C3D2_oP76_19_5a_42a_11a_6a:Cd-O-S-Tl, expected Tl6Cd5S11O42 to be Tl2Cd2(SO4)3" +mp-6067,Tl2Cd2(SO4)3,-5.9053278472,-1.7821341657,0.0008056642,-0.0082803832,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Cd-O-S-Tl,76.0,"Invalid WP multiplicities - A2B12C3D2_cP76_198_2a_8b_b_2a:Cd-O-S-Tl, expected Tl2Cd2(SO8)3 to be Tl2Cd2(SO4)3" +mp-7708,TlCdS2,-3.4170504175,-0.5274422574000001,0.1680294871,0.1680294871,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cd-S-Tl,4.0,AB2C_hP4_164_a_d_b:Cd-S-Tl +mp-998928,TlCdS2,-3.3779941275,-0.4883859674,0.2070857771,0.2070857771,GGA,P-6m2,AB2C_hP4_187_a_i_d:Cd-S-Tl,4.0,AB2C_hP4_187_a_i_d:Cd-S-Tl +mp-758985,RbTiPS5,-5.6230950141000005,-1.2516477728,0.0,-0.0358006216,GGA,C2/m,ABC5D_mC64_12_2i_2i_6i2j_gh:P-Rb-S-Ti,32.0,"Invalid WP multiplicities - ABC5D_mC64_12_3i_3i_11i4j_gh:P-Rb-S-Ti, expected Rb3Ti2P3S19 to be RbTiPS5" +mp-1246023,Mg3(CrN2)2,-7.0170883283,-0.6334311294,0.1714421442,0.1714421442,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Cr-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:Cr-Mg-N +mp-1504124,Mg(CrN)2,-7.522707288,-0.00683432,0.6785364084000001,0.6785364084000001,GGA,P-4m2,A2BC2_tP5_115_e_b_g:Cr-Mg-N,5.0,A2BC2_tP5_115_e_b_g:Cr-Mg-N +mp-1247332,Mg3CrN3,-6.4298157621,-0.7921911343,0.0450562705,0.0450562705,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Cr-Mg-N,14.0,AB3C3_hP14_194_c_h_h:Cr-Mg-N +mp-1211076,MgCr2(NO7)2,-5.2633911897,0.3593986417,1.6573576529,1.6573576529,GGA+U,P2_1/c,A2BC2D14_mP38_14_e_a_e_7e:Cr-Mg-N-O,38.0,A2BC2D14_mP38_14_e_a_e_7e:Cr-Mg-N-O +mp-1387574,Mg2CrN2,-6.555078899,-0.649759415,0.1406863696,0.1406863696,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Cr-Mg-N,10.0,AB2C2_mC20_12_i_2i_2i:Cr-Mg-N +mp-1246133,MgCrN2,-7.7875938781,-0.8060145356,0.016886325,0.016886325,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cr-Mg-N,16.0,ABC2_oP16_33_a_a_2a:Cr-Mg-N +mp-1029520,Mg2CrN3,-7.1772042992,-0.8666889083,0.0,-0.0805900955,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cr-Mg-N,12.0,AB2C3_oC24_36_a_b_ab:Cr-Mg-N +mp-1024974,YSi2Ru3,-8.1917735933,-0.6683877944000001,0.0716521967,0.0716521967,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Ru-Si-Y,6.0,A3B2C_hP6_191_g_c_a:Ru-Si-Y +mp-1201499,Y3(Si3Ru)4,-7.0001346818,-0.6000904787,0.0012000089,0.0012000089,GGA,Cmce,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Y,38.0,A4B12C3_oC76_64_df_df2g_ae:Ru-Si-Y +mp-1205712,YSiRu2C,-8.535067182,-0.6012152388,0.0,-0.062864667,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Ru-Si-Y +mp-21069,YSiRu,-7.8821675208,-0.8267702931,0.0,-0.0505384438,GGA,Pnma,ABC_oP12_62_c_c_c:Ru-Si-Y,12.0,ABC_oP12_62_c_c_c:Ru-Si-Y +mp-568673,Y(SiRu)2,-8.06123044,-0.8880479893000001,0.0,-0.146544185,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ru-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Ru-Si-Y +mp-1110952,K2AgBiI6,-2.805651741,-1.0322476283,0.0759481235,0.0759481235,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-I-K,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Bi-I-K +mp-505791,ReH8(Br3N)2,-4.5967278482000005,-0.7392281203000001,0.0,-0.0915611347,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Br-H-N-Re,17.0,A6B8C2D_cF68_225_e_f_c_a:Br-H-N-Re +mp-1209053,Re(Br3N)2,-3.7821920511,0.4884398394,0.7516315089000001,0.7516315089000001,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Re,9.0,A6B2C_cF36_225_e_c_a:Br-N-Re +mp-1194150,Re3Br10N,-4.8087381196,-0.4372838496,0.0703000843,0.0703000843,GGA,C2/m,A10BC3_mC56_12_4i3j_g_ij:Br-N-Re,28.0,A10BC3_mC56_12_4i3j_g_ij:Br-N-Re +mp-1111610,K2RbAlI6,-2.872502881,-1.2937922914,0.1300411058,0.1300411058,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-I-K-Rb,10.0,AB6C2D_cF40_225_a_e_c_b:Al-I-K-Rb +mp-1114183,KRb2AlI6,-2.913167081,-1.3474429788,0.0794655727,0.0794655727,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-I-K-Rb,10.0,AB6CD2_cF40_225_a_e_b_c:Al-I-K-Rb +mp-1102514,ScSeO3F,-7.14136221,-2.711374596,0.0020748614,0.0020748614,GGA,P-1,AB3CD_aP12_2_i_3i_i_i:F-O-Sc-Se,12.0,AB3CD_aP12_2_i_3i_i_i:F-O-Sc-Se +mp-27841,VBrO,-7.2114601817,-2.0169191446,0.0,-0.0562123638,GGA+U,Pmmn,ABC_oP6_59_a_a_b:Br-O-V,6.0,ABC_oP6_59_a_a_b:Br-O-V +mp-1178864,V(BrO2)3,-4.595403036,-0.2530907032,0.6843167198,0.6843167198,GGA+U,P2_1/c,A3B6C_mP20_14_ae_3e_d:Br-O-V,20.0,A3B6C_mP20_14_ae_3e_b:Br-O-V +mp-27713,VBr2O,-5.93408576,-1.6499228997,0.0,-0.0982757294,GGA+U,Immm,A2BC_oI8_71_e_a_c:Br-O-V,4.0,A2BC_oI8_71_e_a_c:Br-O-V +mp-1208766,Sr2VBrO4,-7.2151163728,-2.9897818539000003,0.0,-0.0210783951,GGA+U,Pbcm,AB4C2D_oP32_57_d_2e_cd_c:Br-O-Sr-V,32.0,AB4C2D_oP32_57_d_2e_cd_c:Br-O-Sr-V +mp-1195674,Sr5V3BrO12,-7.6275318486,-3.0269376418,0.0,-0.0189277394,GGA+U,P6_3/m,AB12C5D3_hP42_176_b_2hi_fh_h:Br-O-Sr-V,42.0,AB12C5D3_hP42_176_b_2hi_fh_h:Br-O-Sr-V +mp-1111376,K2TlCrF6,-5.419763988,-2.8492277564,0.0362242645,0.0362242645,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Tl,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-F-K-Tl +mp-1205672,KTl2CrF6,-5.378771849,-2.6830111975,0.0,-0.0150967707,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Tl,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-K-Tl +mp-17770,CsPr(PO3)4,-7.7392778183,-2.9231787801,0.0,-0.0222758087,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Cs-O-P-Pr,36.0,AB12C4D_mP36_4_a_12a_4a_a:Cs-O-P-Pr +mp-572543,CsPr(PO3)4,-7.732274925,-2.9161758867,0.0070028933,-0.0152729154,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Cs-O-P-Pr,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_46e_14e_e:Cs-O-P-Pr, expected CsPr(P7O23)2 to be CsPr(PO3)4" +mp-2227355,Eu2MgVO4,-8.6778222388,-2.3047041681,0.5955307044,0.5955307044,GGA+U,I-4m2,A2BC4D_tI16_119_e_c_ef_a:Eu-Mg-O-V,8.0,A2BC4D_tI16_119_e_c_ef_a:Eu-Mg-O-V +mp-2242214,Eu2MgVO4,-8.7464267837,-2.3733087131,0.5269261594,0.5269261594,GGA+U,I4/mmm,A2BC4D_tI16_139_e_a_ce_b:Eu-Mg-O-V,8.0,A2BC4D_tI16_139_e_a_ce_b:Eu-Mg-O-V +mp-2218969,Eu2MgV2O8,-9.0736884992,-2.9309496162,0.0,-0.0128736567,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Eu-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Eu-Mg-O-V, expected Eu2MgV2O14 to be Eu2MgV2O8" +mp-2242227,EuMgVO3,-8.356167035,-2.3926246927,0.4278172208,0.4278172208,GGA+U,P1,ABC3D_aP6_1_a_a_3a_a:Eu-Mg-O-V,6.0,ABC3D_aP6_1_a_a_3a_a:Eu-Mg-O-V +mp-2224263,EuMgVO3,-8.2428421533,-2.279299811,0.5411421025,0.5411421025,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Eu-Mg-O-V,6.0,ABC3D_hR18_160_a_a_b_a:Eu-Mg-O-V +mp-1205359,Ba2UCuO6,-7.880803822,-2.9899339392,0.0084693552,0.0084693552,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-U,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-U +mp-9238,Ba2UCuO6,-7.880534083,-2.9896642002,0.0087390942,0.0087390942,GGA,I4/mmm,A2BC6D_tI20_139_d_a_eh_b:Ba-Cu-O-U,10.0,A2BC6D_tI20_139_d_a_eh_b:Ba-Cu-O-U +mp-22272,Ba2UCuO6,-7.540229882,-2.6493599992,0.3490432952,0.3490432952,GGA,I4/mmm,A2BC6D_tI20_139_c_a_eh_b:Ba-Cu-O-U,10.0,A2BC6D_tI20_139_c_a_eh_b:Ba-Cu-O-U +mp-1247170,LaMgWS4,-6.5601055986,-1.4115031911,0.3295614225,0.3295614225,GGA,Imm2,ABC4D_oI28_44_c_ab_2c2d_d:La-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_c_ab_4c3d_d:La-Mg-S-W, expected LaMgWS7 to be LaMgWS4" +mp-1017473,LaMg6W,-3.1166970475,0.3202801569,0.3941694615,0.3941694615,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-W, expected LaMg12W to be LaMg6W" +mp-1017477,LaMg6W,-3.11717825,0.3197989544,0.393688259,0.393688259,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-W, expected LaMg12W to be LaMg6W" +mp-1246376,LaMg2W3S8,-6.7518729614,-1.0302617593,0.4508400859,0.4508400859,GGA,C2/m,AB2C8D3_mC28_12_c_i_2ij_ae:La-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_mC28_12_a_i_4ij_de:La-Mg-S-W, expected LaMg2(WS4)3 to be LaMg2W3S8" +mp-1026777,LaMg14W,-2.3659004975,0.1527281297,0.1924709374,0.1924709374,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-W, expected LaMg18W to be LaMg14W" +mp-1026755,LaMg14W,-2.3213421325,0.1972864947,0.2370293024,0.2370293024,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-W, expected LaMg26W to be LaMg14W" +mp-1246659,La3Mg2WS8,-6.3056158293,-1.7300222164,0.2710051655,0.2710051655,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:La-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:La-Mg-S-W, expected La3Mg2WS22 to be La3Mg2WS8" +mp-510268,Cs2Pd3S4,-4.7364046522,-0.9723769143,0.0,-0.1682677333,GGA,Fmmm,A2B3C4_oF36_69_g_ac_n:Cs-Pd-S,9.0,A2B3C4_oF36_69_g_ac_n:Cs-Pd-S +mp-5335,U2PdS4,-7.8721789679,-1.5423930682,0.0,-0.0772806979,GGA,Fdd2,AB4C2_oF56_43_a_2b_b:Pd-S-U,14.0,AB4C2_oF56_43_a_2b_b:Pd-S-U +mp-1192271,Cs2U(PdS2)3,-5.6617600642,-1.2083801154,0.0,-0.0384475678,GGA,Fmmm,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pd-S-U,24.0,A2B3C6D_oF96_69_fg_hm_np_i:Cs-Pd-S-U +mp-22119,U(PdS2)2,-6.5164412457,-1.0597308032,0.0248005353,0.0248005353,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Pd-S-U,14.0,A2B4C_tI28_88_c_f_b:Pd-S-U +mp-1196686,Cs2U6Pd4S17,-6.9947258164,-1.4575382377,0.0,-0.0277535152,GGA,P4/mnc,A2B4C17D6_tP58_128_e_h_a2i_dh:Cs-Pd-S-U,58.0,A2B4C17D6_tP58_128_e_h_a2i_dh:Cs-Pd-S-U +mp-531882,U7(Pd3S4)8,-6.2519105133,-0.9229671919,0.0254420474,0.0254420474,GGA,Im-3,A24B32C7_cI126_204_2g_fh_bc:Pd-S-U,63.0,"Invalid WP multiplicities - A24B32C7_cI126_204_16g_8f9h_2b2c:Pd-S-U, expected U7(Pd24S35)4 to be U7(Pd3S4)8" +mp-1194560,Rb2CdP2O7,-6.566208779,-2.5380934542,0.0,-0.0529606971,GGA,P2_1/c,AB7C2D2_mP48_14_e_7e_2e_2e:Cd-O-P-Rb,48.0,AB7C2D2_mP48_14_e_7e_2e_2e:Cd-O-P-Rb +mp-14328,Pr3GePO9,-8.256737037,-3.3353623207,0.0,-0.0785357559,GGA,P2_1/c,AB9CD3_mP56_14_e_9e_e_3e:Ge-O-P-Pr,56.0,AB9CD3_mP56_14_e_9e_e_3e:Ge-O-P-Pr +mp-1201409,CuP6Pd11O34,-6.3394865798,-1.3059262375,0.186965707,0.186965707,GGA,P-1,AB34C6D11_aP104_2_i_34i_6i_11i:Cu-O-P-Pd,104.0,AB34C6D11_aP104_2_i_34i_6i_11i:Cu-O-P-Pd +mp-1001022,Cu2PPd2,-5.071632482,-0.2773365887,0.0042574679,0.0042574679,GGA,Ccc2,A2BC2_oC20_37_d_c_d:Cu-P-Pd,10.0,A2BC2_oC20_37_d_c_d:Cu-P-Pd +mp-1247533,Pt(CN)2,-7.8094683385,0.4308224925,0.4308224925,0.4308224925,GGA,I-42d,A2B2C_tI40_122_e_e_d:C-N-Pt,20.0,A2B2C_tI40_122_e_e_d:C-N-Pt +mp-1245892,PtCN2,-7.6570077425,0.3361894231,0.3361894231,0.3361894231,GGA,Cmmm,AB2C_oC8_65_a_k_c:C-N-Pt,4.0,AB2C_oC8_65_a_k_c:C-N-Pt +mp-1246964,PtCN2,-7.4507946675,0.5424024981000001,0.5424024981000001,0.5424024981000001,GGA,R-3m,AB2C_hR12_166_a_c_b:C-N-Pt,4.0,AB2C_hR12_166_a_c_b:C-N-Pt +mp-1213964,CdPt(CN)6,-7.8370513121,0.1904476582,0.2341807568,0.2341807568,GGA,Fm-3m,A6BC6D_cF56_225_e_a_e_b:C-Cd-N-Pt,14.0,A6BC6D_cF56_225_e_a_e_b:C-Cd-N-Pt +mp-1246801,Pt(C4N3)2,-8.292089178,0.3692059427,0.3692059427,0.3692059427,GGA,Cm,A8B6C_mC90_8_4a10b_2a8b_ab:C-N-Pt,45.0,"Invalid WP multiplicities - A8B6C_mC90_8_4a18b_2a15b_ab:C-N-Pt, expected Pt3(C5N4)8 to be Pt(C4N3)2" +mp-1247310,Pt(C4N3)2,-8.300249365,0.3610457557,0.3610457557,0.3610457557,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Pt,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Pt +mp-1208325,TlCu(PO3)3,-7.053185228,-2.251616961,0.0,-0.0081695414,GGA,P2_1/c,AB9C3D_mP56_14_ac_9e_3e_e:Cu-O-P-Tl,56.0,AB9C3D_mP56_14_ac_9e_3e_e:Cu-O-P-Tl +mp-566937,TlCu2P2O7,-6.6265736297,-1.9587000898,0.0041571402,0.0041571402,GGA,Pbca,A2B7C2D_oP96_61_2c_7c_2c_c:Cu-O-P-Tl,96.0,"Invalid WP multiplicities - A2B7C2D_oP96_61_8c_49c_6c_c:Cu-O-P-Tl, expected TlCu8P6O49 to be TlCu2P2O7" +mp-557258,Tl4Cu4(P2O7)3,-6.6876171379,-2.0531120738,0.0008641588,0.0008641588,GGA,Pcca,A4B21C6D4_oP140_54_2f_c10f_3f_cdf:Cu-O-P-Tl,140.0,"Invalid WP multiplicities - A4B21C6D4_oP140_54_10f_4c72f_21f_3c2d3f:Cu-O-P-Tl, expected Tl11Cu20(P21O74)2 to be Tl4Cu4(P2O7)3" +mp-541201,TlCuPO4,-6.4453453425,-1.922215747,0.0,-0.0302074281,GGA,C2/c,AB4CD_mC56_15_f_4f_f_f:Cu-O-P-Tl,28.0,AB4CD_mC56_15_f_4f_f_f:Cu-O-P-Tl +mp-559692,Ta2Cd(P2O7)3,-8.1537024917,-2.7870783919,0.0,-0.023822791,GGA,Pnma,AB21C6D2_oP120_62_c_3c9d_2c2d_d:Cd-O-P-Ta,120.0,"Invalid WP multiplicities - AB21C6D2_oP120_62_c_12c69d_8c14d_d:Cd-O-P-Ta, expected Ta2Cd(P6O25)6 to be Ta2Cd(P2O7)3" +mp-558219,SrLi(BS2)3,-5.5834039423,-1.1783775028,0.0,-0.0056234835,GGA,Cc,A3BC6D_mC44_9_3a_a_6a_a:B-Li-S-Sr,22.0,"Invalid WP multiplicities - A3BC6D_mC44_9_5a_a_11a_a:B-Li-S-Sr, expected SrLiB5S11 to be SrLi(BS2)3" +mp-557962,SrLiBS3,-5.2879293425,-1.5067363939,0.0008485135,0.0008485135,GGA,Pnma,ABC3D_oP24_62_c_a_cd_c:B-Li-S-Sr,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_a_2c3d_c:B-Li-S-Sr, expected SrLiBS8 to be SrLiBS3" +mp-540849,CsHg(NO2)3,-5.1717335809,-0.0909426919,0.8945650470000001,0.8945650470000001,GGA,Pm-3,ABC3D6_cP11_200_a_b_c_f:Cs-Hg-N-O,11.0,ABC3D6_cP11_200_a_b_c_f:Cs-Hg-N-O +mp-7232,Cs2HgO2,-3.689357816,-1.2917853097,0.0,-0.3046550805,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:Cs-Hg-O,5.0,A2BC2_tI10_139_e_a_e:Cs-Hg-O +mp-1207912,Y3Mg2(GeO4)3,-7.7965139369,-3.0050478599,0.0421136777,0.0421136777,GGA,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mg-O-Y,80.0,A3B2C12D3_cI160_230_d_a_h_c:Ge-Mg-O-Y +mp-1216309,Y2Mg3(GeO4)3,-7.4813160327,-2.9331595089,0.0062900119,0.0062900119,GGA,I4_1/acd,A3B3C12D2_tI160_142_ae_bc_3g_e:Ge-Mg-O-Y,80.0,"Invalid WP multiplicities - A3B3C12D2_tI160_142_2a2e_bc_12g_e:Ge-Mg-O-Y, expected Y2Mg3(GeO8)6 to be Y2Mg3(GeO4)3" +mp-1224285,HfTaC2,-10.8732191725,-0.8051447613,0.0,-0.04804241,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Hf-Ta,4.0,A2BC_hR12_166_c_a_b:C-Hf-Ta +mp-1224369,HfTa3C4,-10.5836287037,-0.2779807175,0.4122564375,0.4122564375,GGA,P-3m1,A4BC3_hP8_164_2d_a_bc:C-Hf-Ta,8.0,"Invalid WP multiplicities - A4BC3_hP8_164_4d_a_bc:C-Hf-Ta, expected HfTa3C8 to be HfTa3C4" +mp-1224304,HfTa2VC4,-10.56485016,-0.6059361188,0.0649142556,0.0649142556,GGA,R3m,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Ta-V,8.0,A4BC2D_hR24_160_4a_a_2a_a:C-Hf-Ta-V +mp-1224275,HfTaV4,-9.7166402383,-0.0248750817,0.0272640517,0.0272640517,GGA,F-43m,ABC4_cF24_216_a_c_e:Hf-Ta-V,6.0,ABC4_cF24_216_a_c_e:Hf-Ta-V +mp-10070,BaAg(PO3)3,-7.3065329016,-2.6271302684,0.0,-0.0094718495,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Ag-Ba-O-P,56.0,ABC9D3_oP56_19_a_a_9a_3a:Ag-Ba-O-P +mp-1196371,CeCu6(PO7)3,-5.9729129045,-1.1132774325,0.5944154521,0.5944154521,GGA,P2_1/m,AB6C21D3_mP62_11_e_3f_15e3f_3e:Ce-Cu-O-P,62.0,"Invalid WP multiplicities - AB6C21D3_mP62_11_e_12f_30e12f_6e:Ce-Cu-O-P, expected CeCu24(PO9)6 to be CeCu6(PO7)3" +mp-1195501,CeCu6(PO7)3,-5.9711047456,-1.1114692737,0.596223611,0.596223611,GGA,P6_3/m,AB6C21D3_hP62_176_c_i_5hi_h:Ce-Cu-O-P,62.0,AB6C21D3_hP62_176_c_i_5hi_h:Ce-Cu-O-P +mp-1213889,Ce3Cu4(P2O)2,-6.5857214185,-1.5285920651,0.0,-0.0777936193,GGA,I4/mmm,A3B4C2D4_tI26_139_ae_g_d_2e:Ce-Cu-O-P,13.0,A3B4C2D4_tI26_139_ae_g_d_2e:Ce-Cu-O-P +mp-549308,LiGeBO4,-7.0071909671,-2.2931770618,0.2023767843,0.1811897892,GGA,Fmm2,ABCD4_oF28_42_a_a_a_cd:B-Ge-Li-O,7.0,"Invalid WP multiplicities - ABCD4_oF28_42_a_a_a_2c2d:B-Ge-Li-O, expected LiGeBO8 to be LiGeBO4" +mp-8873,LiGeBO4,-7.2095677514,-2.4955538461,0.0,-0.021186995,GGA,I-4,ABCD4_tI14_82_c_a_b_g:B-Ge-Li-O,7.0,ABCD4_tI14_82_c_a_b_g:B-Ge-Li-O +mp-14721,KSiSbO5,-6.9656287731,-2.5408585515,0.0,-0.0315435775,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:K-O-Sb-Si,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_3a_13a_2a_2a:K-O-Sb-Si, expected K3Si2Sb2O13 to be KSiSbO5" +mp-1196593,K2Si4SbO11,-7.3750388961,-2.793669614,0.0827105566,0.0827105566,GGA,P2_1/c,A2B11CD4_mP72_14_2e_11e_e_4e:K-O-Sb-Si,72.0,A2B11CD4_mP72_14_2e_11e_e_4e:K-O-Sb-Si +mp-1218106,Ta3MnN4,-10.7107538938,-0.9505879085,0.2064497665,0.2064497665,GGA,P-3m1,AB4C3_hP8_164_a_2d_bd:Mn-N-Ta,8.0,AB4C3_hP8_164_a_2d_bd:Mn-N-Ta +mp-1246250,TaMn2N3,-9.6074101575,-0.408861326,0.3971508986,0.3971508986,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Ta,24.0,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Ta +mp-1246325,TaMn2N3,-9.7842999717,-0.5857511401000001,0.2202610844,0.2202610844,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mn-N-Ta,12.0,A2B3C_oC24_36_b_ab_a:Mn-N-Ta +mp-1217938,TaMnNO2,-9.887519814,-2.0375867601,0.1462782229,0.1462782229,GGA+U,Cc,ABC2D_mC20_9_a_a_2a_a:Mn-N-O-Ta,10.0,"Invalid WP multiplicities - ABC2D_mC20_9_a_a_3a_a:Mn-N-O-Ta, expected TaMnNO3 to be TaMnNO2" +mp-1247209,Ta3MnN6,-10.399049064,-0.9236172908,0.1892917475,0.1892917475,GGA,P2_1/m,AB6C3_mP20_11_a_2e2f_d2e:Mn-N-Ta,20.0,AB6C3_mP20_11_a_2e2f_c2e:Mn-N-Ta +mp-1211447,KErBeF6,-6.2241039567,-3.9033923537,0.0,-0.0123171561,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-K,18.0,ABC6D_mP18_11_e_e_2e2f_e:Be-Er-F-K +mp-1110816,Rb2YAgI6,-3.454374346,-1.4443450098,0.0499671687,0.0499671687,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-I-Rb-Y +mp-1217165,Ti2V2GaS8,-6.7765256346000005,-1.3858724707,0.0023198224,0.0023198224,GGA,Imm2,AB8C2D2_oI26_44_a_2c2d_c_d:Ga-S-Ti-V,13.0,AB8C2D2_oI26_44_a_2c2d_c_d:Ga-S-Ti-V +mp-1224289,HfTaCN,-11.04271985,-1.1976880806,0.054243695,0.054243695,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Hf-N-Ta,4.0,ABCD_hR12_160_a_a_a_a:C-Hf-N-Ta +mp-1180419,NaAgI2O3,-3.4076072214,-0.2730529171,0.8209917479000001,0.8209917479000001,GGA,Pbca,AB2CD3_oP56_61_c_2c_c_3c:Ag-I-Na-O,56.0,AB2CD3_oP56_61_c_2c_c_3c:Ag-I-Na-O +mp-1200038,NaAgI2O3,-3.5159881209,-0.3814338165,0.7126108484,0.7126108484,GGA,Pbca,AB2CD3_oP56_61_c_2c_c_3c:Ag-I-Na-O,56.0,AB2CD3_oP56_61_c_2c_c_3c:Ag-I-Na-O +mp-10896,Y(MnAl2)4,-5.9624835392,-0.3410113145,0.0,-0.0073934365,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Mn-Y,13.0,A8B4C_tI26_139_ij_f_a:Al-Mn-Y +mp-1215934,YMnAl,-6.6970276367,-0.2390068915,0.0430059676,0.0430059676,GGA,Imma,ABC_oI12_74_a_c_e:Al-Mn-Y,6.0,ABC_oI12_74_a_c_e:Al-Mn-Y +mp-1216200,Y(MnAl)6,-6.7005988362,-0.2458282326,0.0443483915,0.0443483915,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Mn-Y,13.0,A6B6C_oI26_71_efg_hk_a:Al-Mn-Y +mp-1190648,Y3MnAlS7,-7.0046799892,-1.8995005283,0.0129536583,0.0129536583,GGA,P6_3,ABC7D3_hP24_173_b_a_b2c_c:Al-Mn-S-Y,24.0,ABC7D3_hP24_173_b_a_b2c_c:Al-Mn-S-Y +mp-2218797,MgFe4(PS)4,-6.1354059823,-0.4677617989,0.3671497531,0.3671497531,GGA,P1,A4BC4D4_aP13_1_4a_a_4a_4a:Fe-Mg-P-S,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:Fe-Mg-P-S +mp-2218688,MgFe4(PS)4,-6.1353478531,-0.4677036697,0.3672078823,0.3672078823,GGA,P-1,A4BC4D4_aP13_2_2i_a_2i_2i:Fe-Mg-P-S,13.0,"Invalid WP multiplicities - A4BC4D4_aP13_2_4i_a_4i_4i:Fe-Mg-P-S, expected MgFe8(PS)8 to be MgFe4(PS)4" +mp-2218302,MgFe4(PS)4,-6.16738848,-0.4997442966,0.3351672554,0.3351672554,GGA,P-1,A4BC4D4_aP13_2_2i_a_2i_2i:Fe-Mg-P-S,13.0,"Invalid WP multiplicities - A4BC4D4_aP13_2_4i_a_4i_4i:Fe-Mg-P-S, expected MgFe8(PS)8 to be MgFe4(PS)4" +mp-1200746,Dy2VO5,-8.8256284713,-3.446763058,0.0421688762,0.0421688762,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_e:Dy-O-V,32.0,A2B5C_mP32_14_2e_5e_e:Dy-O-V +mp-2218157,Dy2MgV2O7,-8.325795365,-3.0250881276,0.23367696,0.23367696,GGA+U,C2,A2BC7D2_mC24_5_2b_a_a3c_c:Dy-Mg-O-V,12.0,"Invalid WP multiplicities - A2BC7D2_mC24_5_2b_a_a5c_c:Dy-Mg-O-V, expected Dy2MgV2O11 to be Dy2MgV2O7" +mp-2218240,Dy2MgV2O7,-8.3811360283,-3.0804287909,0.1783362967,0.1783362967,GGA+U,Cm,A2BC7D2_mC24_8_b_a_3a2b_2a:Dy-Mg-O-V,12.0,A2BC7D2_mC24_8_b_a_3a2b_2a:Dy-Mg-O-V +mp-1095571,DyVO4,-8.7546411725,-3.1750665467,0.0369563808,-0.1682551012,GGA+U,I4_1/a,AB4C_tI24_88_a_f_b:Dy-O-V,12.0,AB4C_tI24_88_a_f_b:Dy-O-V +mp-18784,DyVO4,-8.7915975533,-3.2120229275,0.0,-0.2052114821,GGA+U,I4_1/amd,AB4C_tI24_141_a_h_b:Dy-O-V,12.0,AB4C_tI24_141_a_h_b:Dy-O-V +mp-22789,DyVO3,-9.005861854,-3.2997100453,0.0,-0.0268321949,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Dy-O-V,20.0,AB3C_oP20_62_c_cd_a:Dy-O-V +mp-783902,Dy2V2O7,-8.8030181109,-3.1659084019,0.0859723064,0.0859723064,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Dy-O-V,11.0,"Invalid WP multiplicities - A2B7C2_mC22_12_h_ai2j_i:Dy-O-V, expected Dy2V2O11 to be Dy2V2O7" +mp-642823,Dy2V2O7,-8.8756986264,-3.2385889174,0.0132917909,0.0132917909,GGA+U,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-V,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-V, expected DyVO10 to be Dy2V2O7" +mp-1212946,DyVO2,-8.43276167,-2.5367440869,0.5091536950000001,0.5091536950000001,GGA+U,I4_1/amd,AB2C_tI32_141_c_h_d:Dy-O-V,16.0,AB2C_tI32_141_c_h_d:Dy-O-V +mp-2218643,Dy2MgV2O8,-8.3580811808,-3.0846061377,0.1368375846,0.1368375846,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Dy-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Dy-Mg-O-V, expected Dy2MgV2O16 to be Dy2MgV2O8" +mp-2218388,Dy2MgV2O8,-8.3830724738,-3.1095974308,0.1118462915,0.1118462915,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Dy-Mg-O-V,13.0,A2BC8D2_mC26_5_ab_a_4c_ab:Dy-Mg-O-V +mp-1204595,Gd4Si2S3O7,-10.3808086456,-3.2438526707,0.0037324907,0.0037324907,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:Gd-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:Gd-O-S-Si +mp-1211494,KLiHoF5,-5.9612785884,-3.8163878983,0.0,-0.0004416429,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:F-Ho-K-Li,32.0,A5BCD_mP32_14_5e_e_e_e:F-Ho-K-Li +mp-1205224,GeH10Se3N4,-4.9256939056,-0.3488048812,0.0661643369,0.0661643369,GGA,I4_1cd,AB10C4D3_tI288_110_2a_10b_4b_3b:Ge-H-N-Se,144.0,AB10C4D3_tI288_110_2a_10b_4b_3b:Ge-H-N-Se +mp-1247419,Ge2SeN2,-6.163030224,-0.2800388165,0.0672046606,0.0672046606,GGA,Cmc2_1,A2B2C_oC20_36_b_b_a:Ge-N-Se,10.0,A2B2C_oC20_36_b_b_a:Ge-N-Se +mp-1195052,CaNp(HO)9,-6.4042763702,-1.9038707519,0.0,-0.0125304469,GGA,P-1,AB9CD9_aP40_2_i_9i_ab_9i:Ca-H-Np-O,40.0,AB9CD9_aP40_2_i_9i_ab_9i:Ca-H-Np-O +mp-1195107,CaNpH7O8,-6.6033303297,-1.998861414,0.0,-0.0123754,GGA,P2_1/c,AB7CD8_mP68_14_e_7e_e_8e:Ca-H-Np-O,68.0,AB7CD8_mP68_14_e_7e_e_8e:Ca-H-Np-O +mp-14983,Si4P4Ru,-6.2060157078,-0.3583618537,0.0,-0.0723341539,GGA,P1,A4BC4_aP9_1_4a_a_4a:P-Ru-Si,9.0,A4BC4_aP9_1_4a_a_4a:P-Ru-Si +mp-558870,P3RuO9,-7.6813778985,-2.2941080168,0.0,-0.0710911468,GGA,P-1,A9B3C_aP26_2_9i_3i_bc:O-P-Ru,26.0,"Invalid WP multiplicities - A9B3C_aP26_2_18i_6i_bc:O-P-Ru, expected P6RuO18 to be P3RuO9" +mp-29039,P3RuO9,-7.6787434546,-2.291473573,0.0026344438,-0.068456703,GGA,P2_1/c,A9B3C_mP52_14_9e_3e_e:O-P-Ru,52.0,A9B3C_mP52_14_9e_3e_e:O-P-Ru +mp-558399,P3RuO9,-7.6606005442,-2.2733306626,0.0207773542,-0.0503137926,GGA,C2/c,A9B3C_mC52_15_a4f_ef_c:O-P-Ru,26.0,"Invalid WP multiplicities - A9B3C_mC52_15_2a11f_2e2f_c:O-P-Ru, expected P6RuO24 to be P3RuO9" +mp-562501,SiP3RuO11,-7.8094037972,-2.4748285526,0.022092493,0.022092493,GGA,R-3c,A11B3CD_hR192_167_be3f_f_c_c:O-P-Ru-Si,64.0,"Invalid WP multiplicities - A11B3CD_hR192_167_2b5e29f_f_c_c:O-P-Ru-Si, expected Si2P6Ru2O191 to be SiP3RuO11" +mp-1112137,Cs2NaYI6,-3.55966053,-1.7176606049,0.0,-0.012522997,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-I-Na-Y +mp-1212098,KCaCr2F9,-6.3970229749,-3.3489149384,0.0039699799,0.0039699799,GGA+U,C222_1,AB2C9D_oC156_20_bc_3c_a13c_ac:Ca-Cr-F-K,78.0,AB2C9D_oC156_20_bc_3c_a13c_ac:Ca-Cr-F-K +mp-1079339,K2NaMnF6,-5.408433609,-2.9910123805,0.0,-0.0403553874,GGA+U,I4/mmm,A6B2CD_tI20_139_eh_d_a_b:F-K-Mn-Na,10.0,A6B2CD_tI20_139_eh_d_a_b:F-K-Mn-Na +mp-1111638,K2NaMnF6,-5.365396059,-2.9479748305,0.04303755,0.0026821626,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Na,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mn-Na +mp-1111011,KNa2MnF6,-5.167643588,-2.7290097249,0.2350970029,0.2350970029,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Mn-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Mn-Na +mp-1111935,K2FeHgF6,-4.731336687,-2.4849993596,0.1274511048,0.1274511048,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-K,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-Hg-K +mp-1217259,Th2SbNO,-8.899574902,-2.4515946268,0.0,-0.084955588,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:N-O-Sb-Th,5.0,ABCD2_tI10_119_a_b_c_f:N-O-Sb-Th +mp-1197554,Sb2NO6,-6.3552141981,-1.2135886789,0.2410139117,0.2410139117,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:N-O-Sb,36.0,AB6C2_mP36_14_e_6e_2e:N-O-Sb +mp-7522,Th2SbN2,-8.83832726,-1.712385742,0.0,-0.1721199675,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:N-Sb-Th,5.0,A2BC2_tI10_139_d_a_e:N-Sb-Th +mp-758558,SbNO,-6.73448398,-0.9304223546,0.0431892444,0.0431892444,GGA,C2/m,ABC_mC12_12_i_i_i:N-O-Sb,6.0,ABC_mC12_12_i_i_i:N-O-Sb +mp-1111960,K2SbAuF6,-4.422691883,-2.3134363891,0.3123638273,0.3123638273,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Sb,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Sb +mp-639149,KZrPSe6,-4.9211420725,-0.9159341892,0.1540954252,0.1540954252,GGA,Pmc2_1,ABC6D_oP36_26_2a_2a_8a4b_2b:K-P-Se-Zr,36.0,"Invalid WP multiplicities - ABC6D_oP36_26_2a_2a_15a8b_3b:K-P-Se-Zr, expected K2Zr3P2Se23 to be KZrPSe6" +mp-558585,Hg3PClO4,-4.5875736564,-1.4809475334,0.0249559307,0.0249559307,GGA,P2_13,AB3C4D_cP36_198_a_b_ab_a:Cl-Hg-O-P,36.0,"Invalid WP multiplicities - AB3C4D_cP36_198_a_b_2a3b_a:Cl-Hg-O-P, expected Hg3PClO11 to be Hg3PClO4" +mp-556079,Eu(IO3)3,-5.8923870054,-1.3387486014,0.0,-0.1028056117,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Eu-I-O,52.0,"Invalid WP multiplicities - AB3C9_mP52_14_e_10e_36e:Eu-I-O, expected Eu(I5O18)2 to be Eu(IO3)3" +mp-669573,EuBi2IO4,-6.9858429988,-2.0860803419,0.0,-0.043801249,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Bi-Eu-I-O,8.0,A2BCD4_tP8_123_h_a_b_i:Bi-Eu-I-O +mp-558258,Eu2I2O,-8.109345202,-2.4278601997,0.0,-0.0134035097,GGA,Ibam,A2B2C_oI20_72_j_j_a:Eu-I-O,10.0,A2B2C_oI20_72_j_j_a:Eu-I-O +mp-600622,EuIO,-8.0880067733,-2.5289878196,0.0,-0.1197884271,GGA,P4/nmm,ABC_tP6_129_c_c_a:Eu-I-O,6.0,ABC_tP6_129_c_c_a:Eu-I-O +mp-1191507,Eu4I6O,-7.1339353968,-2.150763214,0.0,-0.0004736382,GGA,P6_3mc,A4B6C_hP22_186_bc_2c_b:Eu-I-O,22.0,A4B6C_hP22_186_bc_2c_b:Eu-I-O +mp-554913,Cr3Ag8(IO6)2,-5.5754712212,-1.0184077143,0.087598501,0.087598501,GGA+U,P6_3/m,A8B3C2D12_hP50_176_bci_h_f_2hi:Ag-Cr-I-O,50.0,"Invalid WP multiplicities - A8B3C2D12_hP50_176_2b2c4i_h_f_8h5i:Ag-Cr-I-O, expected Cr3Ag28(IO27)2 to be Cr3Ag8(IO6)2" +mp-758814,CaAs2H6F18,-4.7980874114,-2.3504276197,0.0,-0.0120532694,GGA,P2_1/c,A2BC18D6_mP108_14_2e_e_18e_6e:As-Ca-F-H,108.0,"Invalid WP multiplicities - A2BC18D6_mP108_14_3e_e_69e_21e:As-Ca-F-H, expected CaAs3H21F69 to be CaAs2H6F18" +mp-778977,CaAs2HF13,-5.0261934049,-2.6987940335,0.0,-0.0300269136,GGA,P2_1/c,A2BC13D_mP68_14_2e_e_13e_e:As-Ca-F-H,68.0,"Invalid WP multiplicities - A2BC13D_mP68_14_3e_e_51e_e:As-Ca-F-H, expected CaAs3HF51 to be CaAs2HF13" +mp-1227052,CaHF,-4.86512459,-2.4285229592,0.02062701,0.02062701,GGA,F-43m,ABC_cF12_216_c_a_b:Ca-F-H,3.0,ABC_cF12_216_c_a_b:Ca-F-H +mp-1104135,CaH2F4,-5.2257256114,-2.8775873486,0.0,-0.0810892286,GGA,Fddd,AB4C2_oF56_70_a_h_e:Ca-F-H,14.0,AB4C2_oF56_70_a_h_e:Ca-F-H +mp-1214303,Ca2AsH4F13,-5.0995096374,-2.7449871912,0.0006438668,0.0006438668,GGA,P4_122,AB2C13D4_tP80_91_a_d_b6d_2d:As-Ca-F-H,80.0,AB2C13D4_tP80_91_a_d_b6d_2d:As-Ca-F-H +mp-1203188,Ca2AsH4F13,-5.0995363326,-2.7450138865,0.0006171716,0.0006171716,GGA,P4_322,AB2C13D4_tP80_95_a_d_b6d_2d:As-Ca-F-H,80.0,AB2C13D4_tP80_95_a_d_b6d_2d:As-Ca-F-H +mp-1179401,SmMg2H7,-3.5955702827,-0.4287474277,0.0273846524,0.0273846524,GGA,P4_12_12,A7B2C_tP40_92_a3b_b_a:H-Mg-Sm,40.0,A7B2C_tP40_92_a3b_b_a:H-Mg-Sm +mp-37315,Mg3(HO3)2,-5.5635337255,-1.8120405884,0.212168392,0.212168392,GGA,C2/m,A2B3C6_mC22_12_i_ai_3i:H-Mg-O,11.0,"Invalid WP multiplicities - A2B3C6_mC22_12_i_a2i_5i:H-Mg-O, expected Mg5(HO5)2 to be Mg3(HO3)2" +mp-30242,Mg4H2O5,-6.0130830082,-2.5658088403,0.0136801945,0.0136801945,GGA,P-3m1,A2B4C5_hP11_164_d_cd_a2d:H-Mg-O,11.0,A2B4C5_hP11_164_d_cd_a2d:H-Mg-O +mp-626143,Mg(HO)2,-5.656463402,-2.0006414895,0.009386028,0.0053994465,GGA,C2,A2BC2_mC10_5_c_a_c:H-Mg-O,5.0,A2BC2_mC10_5_c_a_c:H-Mg-O +mp-626149,Mg(HO)2,-5.424312188,-1.7684902755,0.241537242,0.2375506605,GGA,P3m1,A2BC2_hP5_156_ab_c_ab:H-Mg-O,5.0,A2BC2_hP5_156_ab_c_ab:H-Mg-O +mp-30247,Mg(HO)2,-5.66584943,-2.0100275175,0.0,-0.0039865815,GGA,P-3m1,A2BC2_hP5_164_d_a_d:H-Mg-O,5.0,A2BC2_hP5_164_d_a_d:H-Mg-O +mp-30245,Mg3H4O5,-5.7617041617,-2.1696051711,0.0144244767,0.0144244767,GGA,P-3m1,A4B3C5_hP12_164_2d_ad_b2d:H-Mg-O,12.0,"Invalid WP multiplicities - A4B3C5_hP12_164_2d_ad_b3d:H-Mg-O, expected Mg3H4O7 to be Mg3H4O5" +mp-1233577,Sm4Mg(HO2)4,-6.9390668259,-2.6085351518,0.2663212318,0.2663212318,GGA,Pm,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:H-Mg-O-Sm,17.0,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:H-Mg-O-Sm +mp-30243,Mg3(HO2)2,-5.942678785,-2.4567846644,0.0172485339,0.0172485339,GGA,P-3m1,A2B3C4_hP18_164_2d_c2d_c3d:H-Mg-O,18.0,"Invalid WP multiplicities - A2B3C4_hP18_164_2d_c3d_2c5d:H-Mg-O, expected Mg4H2O7 to be Mg3(HO2)2" +mp-30241,Mg5(HO3)2,-6.0579249385,-2.637387661,0.0151092608,0.0151092608,GGA,P-3m1,A2B5C6_hP13_164_d_a2d_c2d:H-Mg-O,13.0,"Invalid WP multiplicities - A2B5C6_hP13_164_d_a2d_2c2d:H-Mg-O, expected Mg5(HO4)2 to be Mg5(HO3)2" +mp-697921,Mg5H8O9,-5.7258303795,-2.1047664245,0.0001713459,0.0001713459,GGA,P-3m1,A8B5C9_hP22_164_4d_acd_b4d:H-Mg-O,22.0,A8B5C9_hP22_164_4d_acd_b4d:H-Mg-O +mp-30244,Mg2H2O3,-5.8347375229,-2.2881549052,0.0201619786,0.0201619786,GGA,P-3m1,A2B2C3_hP7_164_d_d_ad:H-Mg-O,7.0,A2B2C3_hP7_164_d_d_ad:H-Mg-O +mp-17918,Ba2SnS3F2,-5.4922733872,-2.4822947284,0.0,-0.0388960634,GGA,Pnma,A2B2C3D_oP32_62_d_d_cd_c:Ba-F-S-Sn,32.0,"Invalid WP multiplicities - A2B2C3D_oP32_62_d_d_2c3d_c:Ba-F-S-Sn, expected Ba2Sn(S4F)2 to be Ba2SnS3F2" +mp-554138,Pr2SbO5F,-7.7188807306,-3.2371323668,0.0,-0.0003192108,GGA,P2_1,AB5C2D_mP36_4_2a_10a_4a_2a:F-O-Pr-Sb,36.0,"Invalid WP multiplicities - AB5C2D_mP36_4_2a_20a_6a_2a:F-O-Pr-Sb, expected Pr3SbO10F to be Pr2SbO5F" +mp-16780,KBaNbS4,-5.945922395,-1.7064254815000002,0.0,-0.0506141324,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-K-Nb-S,28.0,ABCD4_oP28_62_c_c_c_2cd:Ba-K-Nb-S +mp-1212599,K2BaNb2S11,-5.6661904843,-1.3009822687,0.0,-0.0041719782,GGA,P2_1/c,AB2C2D11_mP128_14_2e_4e_4e_22e:Ba-K-Nb-S,128.0,AB2C2D11_mP128_14_2e_4e_4e_22e:Ba-K-Nb-S +mp-1213319,CsPr(WO4)2,-8.5615928458,-2.6310863227,0.0,-0.0252968251,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Pr-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Pr-W +mp-1226215,Cs2Hf(WO4)3,-8.7085835239,-2.5984363573,0.0016870278,-0.0766644622,GGA+U,C2,A2BC12D3_mC36_5_c_a_6c_bc:Cs-Hf-O-W,18.0,"Invalid WP multiplicities - A2BC12D3_mC36_5_c_a_12c_bc:Cs-Hf-O-W, expected Cs2Hf(WO8)3 to be Cs2Hf(WO4)3" +mp-1539190,Cs2Hf(WO4)3,-8.7102705517,-2.600123385,0.0,-0.07835149,GGA+U,R-3m,A2BC12D3_hR54_166_c_a_2h_d:Cs-Hf-O-W,18.0,"Invalid WP multiplicities - A2BC12D3_hR54_166_c_a_9h_d:Cs-Hf-O-W, expected Cs2Hf(WO18)3 to be Cs2Hf(WO4)3" +mp-1210470,RbNd(SO6)2,-5.8589025816,-1.2725372207,0.6157515867000001,0.6157515867000001,GGA,P2_1/c,AB12CD2_mP64_14_e_12e_e_2e:Nd-O-Rb-S,64.0,AB12CD2_mP64_14_e_12e_e_2e:Nd-O-Rb-S +mp-7973,RbNdO2,-6.8128146350000005,-2.9022999031000003,0.0,-0.1132585278,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-O-Rb,4.0,AB2C_hR12_166_a_c_b:Nd-O-Rb +mp-559620,Cu5Bi2(B2O7)2,-6.7969771924,-1.8310483664,0.0402992053,0.0402992053,GGA,P-1,A4B2C5D14_aP25_2_2i_i_bcdi_7i:B-Bi-Cu-O,25.0,"Invalid WP multiplicities - A4B2C5D14_aP25_2_4i_i_bcd2i_14i:B-Bi-Cu-O, expected Cu7Bi2(B2O7)4 to be Cu5Bi2(B2O7)2" +mp-1245528,FeC2N3,-8.4012948787,0.2548446163,0.3597235621,0.3597235621,GGA,C2/c,A2BC3_mC48_15_2f_2e_3f:C-Fe-N,24.0,A2BC3_mC48_15_2f_2e_3f:C-Fe-N +mp-1246069,Fe4CN4,-8.4383823847,0.0565876189,0.3362648078,0.3362648078,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Fe-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Fe-N +mp-569547,Sr6FeC2N7,-6.8076022969,-0.8438662100000001,0.0293055416,0.0293055416,GGA,P2_12_12,A2BC7D6_oP32_18_c_a_b3c_3c:C-Fe-N-Sr,32.0,"Invalid WP multiplicities - A2BC7D6_oP32_18_c_a_2b9c_10c:C-Fe-N-Sr, expected Sr20Fe(CN10)2 to be Sr6FeC2N7" +mp-1245833,Fe2(CN2)3,-8.3824335964,0.2216580807,0.3360714761,0.3360714761,GGA,R32,A3B2C6_hR33_155_d_c_f:C-Fe-N,11.0,A3B2C6_hR33_155_d_c_f:C-Fe-N +mp-1245918,Fe2(CN2)3,-8.5561807459,0.0479109311,0.1623243266,0.1623243266,GGA,R-3c,A3B2C6_hR66_167_e_c_f:C-Fe-N,22.0,A3B2C6_hR66_167_e_c_f:C-Fe-N +mp-1212746,Fe(CN)3,-8.56785928,0.1700696432,0.2599658825,0.2599658825,GGA,Fm-3m,A3BC3_cF56_225_e_ab_e:C-Fe-N,14.0,A3BC3_cF56_225_e_ab_e:C-Fe-N +mp-1212815,Fe(CN)6,-7.7706217185,0.9879154904,1.0363211577,1.0363211577,GGA,P2_1/c,A6BC6_mP26_14_3e_a_3e:C-Fe-N,26.0,A6BC6_mP26_14_3e_a_3e:C-Fe-N +mp-1212727,Fe(CN)6,-7.7674451754,0.9910920335,1.0394977008,1.0394977008,GGA,P-31m,A6BC6_hP13_162_k_a_k:C-Fe-N,13.0,A6BC6_hP13_162_k_a_k:C-Fe-N +mp-1213124,Fe(C4N3)2,-8.5536847947,0.2675361853,0.3094877637,0.3094877637,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Fe-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Fe-N +mp-1246055,Fe(C2N3)3,-8.4365032234,0.2429010572,0.2822306619,0.2822306619,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Fe-N,32.0,A6BC9_oC64_63_gh_c_cfgh:C-Fe-N +mp-567933,FeCN2,-8.5359648012,0.0569543369,0.2142727556,0.2142727556,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:C-Fe-N,8.0,ABC2_hP8_194_c_a_f:C-Fe-N +mp-17894,Rb3Sm(PS4)2,-5.0392005364,-1.3550296578,0.0,-0.0487043938,GGA,P2_1,A2B3C8D_mP28_4_2a_3a_8a_a:P-Rb-S-Sm,28.0,"Invalid WP multiplicities - A2B3C8D_mP28_4_3a_3a_10a_a:P-Rb-S-Sm, expected Rb3SmP3S10 to be Rb3Sm(PS4)2" +mp-1219801,Rb2V2Si8O21,-8.1194630221,-3.0463755233,0.0,-0.0100032022,GGA+U,Pmc2_1,A21B2C8D2_oP66_26_2ab9c_ab_4c_2a:O-Rb-Si-V,66.0,A21B2C8D2_oP66_26_2ab9c_ab_4c_2a:O-Rb-Si-V +mp-1219828,Rb7VSiO8,-5.8506900616,-2.2656034559,0.0,-0.0989249631,GGA+U,Pc,A8B7CD_mP68_7_16a_14a_2a_2a:O-Rb-Si-V,68.0,"Invalid WP multiplicities - A8B7CD_mP68_7_24a_21a_2a_2a:O-Rb-Si-V, expected Rb21V2(SiO12)2 to be Rb7VSiO8" +mp-631528,ZnBSe2,-2.836821465,0.8959181190000001,1.5398544803,1.5398544803,GGA,F-43m,AB2C_cF16_216_a_bc_d:B-Se-Zn,4.0,AB2C_cF16_216_a_bc_d:B-Se-Zn +mp-14921,Zn4B6SeO12,-7.1342100535,-2.4397969631,0.0,-0.0081230149,GGA,I-43m,A6B12CD4_cI46_217_d_g_a_c:B-O-Se-Zn,23.0,A6B12CD4_cI46_217_d_g_a_c:B-O-Se-Zn +mp-540267,CrP2O7,-7.900328938,-2.3896815918,0.0932243016,0.0932243016,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Cr-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_13i_2i:Cr-O-P, expected CrP2O13 to be CrP2O7" +mp-1339716,CrP2O7,-7.848956496,-2.3383091498,0.1445967436,0.1445967436,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Cr-O-P,20.0,"Invalid WP multiplicities - AB7C2_aP20_2_i_8i_2i:Cr-O-P, expected Cr(PO4)2 to be CrP2O7" +mp-26974,CrP2O7,-7.968182497,-2.4575351508,0.0253707426,0.0253707426,GGA+U,P2_1,AB7C2_mP20_4_a_7a_2a:Cr-O-P,20.0,AB7C2_mP20_4_a_7a_2a:Cr-O-P +mp-27036,CrP2O7,-7.927293409,-2.4166460628,0.0662598306,0.0662598306,GGA+U,C2,AB7C2_mC20_5_a_b3c_c:Cr-O-P,10.0,"Invalid WP multiplicities - AB7C2_mC20_5_a_b6c_c:Cr-O-P, expected CrP2O13 to be CrP2O7" +mp-26778,CrP2O7,-7.8602608538,-2.3496135075,0.1332923858,0.1332923858,GGA+U,C2/m,AB7C2_mC40_12_g_3i2j_2i:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC40_12_g_12i9j_5i:Cr-O-P, expected Cr(PO6)5 to be CrP2O7" +mp-26458,CrP2O7,-7.9671927825,-2.4565454363,0.0263604571,0.0263604571,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,AB7C2_mP40_14_e_7e_2e:Cr-O-P +mp-26494,CrP2O7,-7.9603762635,-2.4497289173,0.0331769761,0.0331769761,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_24e_2e:Cr-O-P, expected Cr(PO12)2 to be CrP2O7" +mp-26572,CrP2O7,-7.9389251997,-2.4282778535,0.0546280398,0.0546280398,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,AB7C2_mP40_14_e_7e_2e:Cr-O-P +mp-26854,CrP2O7,-7.8761555563,-2.36550821,0.1173976833,0.1173976833,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_23e_7e:Cr-O-P, expected CrP7O23 to be CrP2O7" +mp-704959,CrP2O7,-7.9114241558,-2.4007768095,0.0821290838,0.0821290838,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_25e_2e:Cr-O-P, expected CrP2O25 to be CrP2O7" +mp-1048383,CrP2O7,-7.8394801205,-2.3288327743,0.1540731191,0.1540731191,GGA+U,P2_1/c,AB7C2_mP40_14_e_7e_2e:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mP40_14_e_28e_5e:Cr-O-P, expected CrP5O28 to be CrP2O7" +mp-26140,CrP2O7,-7.937475147,-2.4268278008,0.0560780926,0.0560780926,GGA+U,C2/c,AB7C2_mC80_15_f_7f_2f:Cr-O-P,40.0,"Invalid WP multiplicities - AB7C2_mC80_15_f_25f_3f:Cr-O-P, expected CrP3O25 to be CrP2O7" +mp-886845,CrPO5,-3.9772906986,1.7083940918,3.9347218745,3.9347218745,GGA+U,P-1,AB5C_aP28_2_2i_10i_2i:Cr-O-P,28.0,"Invalid WP multiplicities - AB5C_aP28_2_3i_19i_3i:Cr-O-P, expected Cr3P3O19 to be CrPO5" +mp-772276,CrPO5,-7.8444921036,-2.1588073132,0.0675204695,0.0675204695,GGA+U,P-1,AB5C_aP28_2_2i_10i_2i:Cr-O-P,28.0,"Invalid WP multiplicities - AB5C_aP28_2_3i_19i_3i:Cr-O-P, expected Cr3P3O19 to be CrPO5" +mp-26496,CrPO5,-7.8608398,-2.1751550096,0.051172773,0.051172773,GGA+U,P-1,AB5C_aP28_2_2i_10i_2i:Cr-O-P,28.0,AB5C_aP28_2_2i_10i_2i:Cr-O-P +mp-1046724,CrPO5,-7.8527852236,-2.1671004332,0.0592273495,0.0592273495,GGA+U,Cc,AB5C_mC28_9_a_5a_a:Cr-O-P,14.0,"Invalid WP multiplicities - AB5C_mC28_9_a_7a_a:Cr-O-P, expected CrPO7 to be CrPO5" +mp-772173,CrPO5,-7.8117543259,-2.1260695355,0.1002582471,0.1002582471,GGA+U,P2_1/c,AB5C_mP56_14_2e_10e_2e:Cr-O-P,56.0,"Invalid WP multiplicities - AB5C_mP56_14_3e_35e_5e:Cr-O-P, expected Cr3(PO7)5 to be CrPO5" +mp-1044170,CrPO5,-7.76961344,-2.0839286496,0.142399133,0.142399133,GGA+U,Fdd2,AB5C_oF112_43_b_5b_b:Cr-O-P,28.0,"Invalid WP multiplicities - AB5C_oF112_43_b_14b_b:Cr-O-P, expected CrPO14 to be CrPO5" +mp-26924,CrPO5,-7.8648898493,-2.1792050589,0.0471227237,0.0471227237,GGA+U,Pnma,AB5C_oP28_62_c_3cd_c:Cr-O-P,28.0,AB5C_oP28_62_c_3cd_c:Cr-O-P +mp-756450,CrPO5,-7.8690608921,-2.1833761017,0.0429516809,0.0429516809,GGA+U,P4/n,AB5C_tP14_85_c_cg_a:Cr-O-P,28.0,AB5C_tP14_85_c_cg_a:Cr-O-P +mp-26164,Cr9(PO4)8,-8.3542489429,-2.4669451461,0.094211216,0.094211216,GGA+U,P-1,A9B32C8_aP49_2_bcd3i_16i_4i:Cr-O-P,49.0,"Invalid WP multiplicities - A9B32C8_aP49_2_bcd5i_30i_7i:Cr-O-P, expected Cr13(P7O30)2 to be Cr9(PO4)8" +mp-504359,Cr6P7O24,-8.3245235216,-2.5263632125,0.0211253842,0.0211253842,GGA+U,P2_1/m,A6B24C7_mP74_11_3f_2e11f_e3f:Cr-O-P,74.0,"Invalid WP multiplicities - A6B24C7_mP74_11_7f_4e40f_2e10f:Cr-O-P, expected Cr7P11O42 to be Cr6P7O24" +mp-17021,TlCrP2O7,-7.7162254191,-2.4917602728,0.0,-0.0474189202,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Tl,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Tl +mp-540424,Cr(PO3)4,-7.7842543894,-2.450929564,0.0557183137,0.0557183137,GGA+U,P2_1,AB12C4_mP34_4_a_12a_4a:Cr-O-P,34.0,AB12C4_mP34_4_a_12a_4a:Cr-O-P +mp-31745,Cr(PO3)4,-7.7811991635,-2.4478743381,0.0587735396,0.0587735396,GGA+U,C2/m,AB12C4_mC68_12_e_gi5j_2j:Cr-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_12_e_2hi15j_6j:Cr-O-P, expected Cr(P4O11)3 to be Cr(PO3)4" +mp-1178438,Cr(PO3)4,-7.7564092988,-2.4230844734,0.0835634043,0.0835634043,GGA+U,P2_1/c,AB12C4_mP68_14_e_12e_4e:Cr-O-P,68.0,"Invalid WP multiplicities - AB12C4_mP68_14_e_45e_13e:Cr-O-P, expected CrP13O45 to be Cr(PO3)4" +mp-759084,Cr(PO3)4,-7.7639466524,-2.430621827,0.0760260508,0.0760260508,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Cr-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_21f_3f:Cr-O-P, expected Cr(PO7)6 to be Cr(PO3)4" +mp-26908,Cr(PO3)4,-7.7552266894,-2.421901864,0.0847460137,0.0847460137,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Cr-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_18f_6f:Cr-O-P, expected Cr(PO3)12 to be Cr(PO3)4" +mp-687212,Cr(PO3)4,-7.7648589612,-2.4315341358,0.0751137419,0.0751137419,GGA+U,C2/c,AB12C4_mC68_15_c_6f_2f:Cr-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_c_22f_7f:Cr-O-P, expected Cr(P7O22)2 to be Cr(PO3)4" +mp-26356,Cr(PO3)4,-7.7654276803,-2.4321028549,0.0745450228,0.0745450228,GGA+U,C2/c,AB12C4_mC68_15_e_2e5f_2f:Cr-O-P,34.0,"Invalid WP multiplicities - AB12C4_mC68_15_e_3e17f_4f:Cr-O-P, expected CrP8O37 to be Cr(PO3)4" +mp-704231,Cr(PO3)4,-7.7797680904,-2.446443265,0.0602046127,0.0602046127,GGA+U,Pbcn,AB12C4_oP68_60_c_6d_2d:Cr-O-P,68.0,"Invalid WP multiplicities - AB12C4_oP68_60_c_38d_7d:Cr-O-P, expected Cr(P7O38)2 to be Cr(PO3)4" +mp-756485,Cr2PO5,-8.6083572425,-2.4267521171,0.0487455944,0.0487455944,GGA+U,P-1,A2B5C_aP16_2_2i_5i_i:Cr-O-P,16.0,A2B5C_aP16_2_2i_5i_i:Cr-O-P +mp-756420,Cr2PO5,-8.6444459394,-2.462840814,0.0126568975,0.0126568975,GGA+U,C2/c,A2B5C_mC32_15_ac_e2f_e:Cr-O-P,16.0,"Invalid WP multiplicities - A2B5C_mC32_15_2a2c_e2f_e:Cr-O-P, expected Cr4PO5 to be Cr2PO5" +mp-1178407,Cr2PO5,-8.6401185403,-2.4585134149,0.0169842966,0.0169842966,GGA+U,Pnma,A2B5C_oP32_62_ac_3cd_c:Cr-O-P,32.0,"Invalid WP multiplicities - A2B5C_oP32_62_2a2c_9c4d_c:Cr-O-P, expected Cr4PO17 to be Cr2PO5" +mp-1101561,Cr2(PO3)5,-8.0216858641,-2.5410977667,0.0564318822,0.0564318822,GGA+U,P2/c,A2B15C5_mP44_13_g_e7g_f2g:Cr-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_13_g_2e27g_2f7g:Cr-O-P, expected Cr(P2O7)4 to be Cr2(PO3)5" +mp-881272,Cr2(PO3)5,-7.9990301961,-2.5184420988,0.0790875501,0.0790875501,GGA+U,P2/c,A2B15C5_mP44_13_g_e7g_f2g:Cr-O-P,44.0,"Invalid WP multiplicities - A2B15C5_mP44_13_g_2e24g_2f5g:Cr-O-P, expected CrP6O25 to be Cr2(PO3)5" +mp-1199506,CrPO10,-6.0252244585,-0.6474547011,0.6512365054,0.6512365054,GGA+U,Cc,AB10C_mC96_9_2a_20a_2a:Cr-O-P,48.0,AB10C_mC96_9_2a_20a_2a:Cr-O-P +mp-1214354,CrPO10,-5.7691959719,-0.3914262144,0.9072649921,0.9072649921,GGA+U,Cc,AB10C_mC96_9_2a_20a_2a:Cr-O-P,48.0,AB10C_mC96_9_2a_20a_2a:Cr-O-P +mp-1201137,CrPO10,-5.7097310308,-0.3319612734,0.9667299331,0.9667299331,GGA+U,C2/c,AB10C_mC96_15_ae_10f_f:Cr-O-P,48.0,AB10C_mC96_15_ce_10f_f:Cr-O-P +mp-1040982,Cr2P2O9,-8.0664817823,-2.3239511396,0.0736326263,0.0736326263,GGA+U,Pnma,A2B9C2_oP52_62_ac_5c2d_2c:Cr-O-P,52.0,"Invalid WP multiplicities - A2B9C2_oP52_62_ac_7c2d_2c:Cr-O-P, expected Cr2P2O11 to be Cr2P2O9" +mp-772209,CrP4O11,-7.8774607084,-2.5199711259,0.0366023625,0.0366023625,GGA+U,P-1,AB11C4_aP64_2_2i_22i_8i:Cr-O-P,64.0,"Invalid WP multiplicities - AB11C4_aP64_2_3i_43i_15i:Cr-O-P, expected Cr3P15O43 to be CrP4O11" +mp-772175,CrP4O11,-7.8751008252,-2.5176112426,0.0389622458,0.0389622458,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Cr-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_41e_13e:Cr-O-P, expected CrP13O41 to be CrP4O11" +mp-774615,CrP4O11,-7.8788710527,-2.5213814701,0.0351920183,0.0351920183,GGA+U,P2_1/c,AB11C4_mP64_14_e_11e_4e:Cr-O-P,64.0,"Invalid WP multiplicities - AB11C4_mP64_14_e_43e_15e:Cr-O-P, expected CrP15O43 to be CrP4O11" +mp-1192907,Cr3(PO4)2,-8.3979258323,-2.2933675928,0.1573886333,0.1573886333,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Cr-O-P,26.0,A3B8C2_mP26_14_ae_4e_e:Cr-O-P +mp-1236914,Cr3(PO4)2,-8.4846062631,-2.3800480236,0.0707082026,0.0707082026,GGA+U,P2_1/c,A3B8C2_mP26_14_ae_4e_e:Cr-O-P,26.0,A3B8C2_mP26_14_ae_4e_e:Cr-O-P +mp-560101,Cr3(PO4)2,-8.4662985414,-2.361740302,0.0890159242,0.0890159242,GGA+U,P2_12_12_1,A3B8C2_oP104_19_6a_16a_4a:Cr-O-P,104.0,"Invalid WP multiplicities - A3B8C2_oP104_19_20a_59a_15a:Cr-O-P, expected Cr20P15O59 to be Cr3(PO4)2" +mp-26914,Cr4(PO4)3,-8.4739653042,-2.4627883603000003,0.0411689739,0.0411689739,GGA+U,P-1,A4B12C3_aP38_2_4i_12i_3i:Cr-O-P,38.0,A4B12C3_aP38_2_4i_12i_3i:Cr-O-P +mp-26840,Cr4(PO4)3,-8.4814952308,-2.4703182868,0.0336390474,0.0336390474,GGA+U,C2/c,A4B12C3_mC76_15_2ef_6f_ef:Cr-O-P,38.0,"Invalid WP multiplicities - A4B12C3_mC76_15_4e3f_22f_2e3f:Cr-O-P, expected Cr5(P2O11)2 to be Cr4(PO4)3" +mp-504357,Cr4(PO4)3,-8.4456080616,-2.4344311176,0.0695262166,0.0695262166,GGA+U,Pnma,A4B12C3_oP76_62_2d_2c5d_cd:Cr-O-P,76.0,"Invalid WP multiplicities - A4B12C3_oP76_62_8d_8c35d_3c3d:Cr-O-P, expected Cr16(P3O26)3 to be Cr4(PO4)3" +mp-27100,Cr2P3O13,-7.6996632113,-2.1522767831,0.0929095175,0.0929095175,GGA+U,P2_1/c,A2B13C3_mP72_14_2e_13e_3e:Cr-O-P,72.0,"Invalid WP multiplicities - A2B13C3_mP72_14_5e_49e_7e:Cr-O-P, expected Cr5(PO7)7 to be Cr2P3O13" +mp-16894,Cr7(PO4)6,-8.4604908857,-2.5477428749,0.0016644977,0.0016644977,GGA+U,P-1,A7B24C6_aP37_2_a3i_12i_3i:Cr-O-P,37.0,"Invalid WP multiplicities - A7B24C6_aP37_2_a3i_14i_3i:Cr-O-P, expected Cr7(P3O14)2 to be Cr7(PO4)6" +mp-697815,Cr(PO4)2,-7.5646521,-2.1052737206,0.1519134552,0.1519134552,GGA+U,P2_1/c,AB8C2_mP44_14_e_8e_2e:Cr-O-P,44.0,"Invalid WP multiplicities - AB8C2_mP44_14_e_27e_6e:Cr-O-P, expected Cr(P2O9)3 to be Cr(PO4)2" +mp-753556,Cr(PO4)2,-7.4841714014,-2.024793022,0.2323941538,0.2323941538,GGA+U,C2/c,AB8C2_mC44_15_a_4f_f:Cr-O-P,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_a_13f_f:Cr-O-P, expected Cr(PO13)2 to be Cr(PO4)2" +mp-26134,Cr2P5O16,-8.0019214465,-2.5445463659,0.0164485176,0.0164485176,GGA+U,P2/c,A2B16C5_mP46_13_g_8g_e2g:Cr-O-P,46.0,"Invalid WP multiplicities - A2B16C5_mP46_13_g_29g_2e6g:Cr-O-P, expected CrP7O29 to be Cr2P5O16" +mp-554453,Cr2P2O7,-8.4118844173,-2.5246552416,0.0,-0.0208510801,GGA+U,C2/c,A2B7C2_mC132_15_3f_e10f_3f:Cr-O-P,66.0,"Invalid WP multiplicities - A2B7C2_mC132_15_10f_2e38f_9f:Cr-O-P, expected Cr10(P3O13)3 to be Cr2P2O7" +mp-559970,Cr3(P2O7)2,-8.2921004569,-2.5841959619,0.0014686686,0.0014686686,GGA+U,P-1,A3B14C4_aP42_2_be2i_14i_4i:Cr-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_be4i_27i_7i:Cr-O-P, expected Cr5P7O27 to be Cr3(P2O7)2" +mp-1172917,Cr3(P2O7)2,-8.1843734436,-2.4764689486,0.1091956819,0.1091956819,GGA+U,P-1,A3B14C4_aP42_2_3i_14i_4i:Cr-O-P,42.0,"Invalid WP multiplicities - A3B14C4_aP42_2_6i_27i_7i:Cr-O-P, expected Cr6P7O27 to be Cr3(P2O7)2" +mp-26306,Cr3(P2O7)2,-8.214511349,-2.5066068541,0.0790577764,0.0790577764,GGA+U,P-1,A3B14C4_aP21_2_ai_7i_2i:Cr-O-P,21.0,"Invalid WP multiplicities - A3B14C4_aP21_2_ai_14i_3i:Cr-O-P, expected Cr3(P3O14)2 to be Cr3(P2O7)2" +mp-26218,Cr3(P2O7)2,-8.2560123395,-2.5481078446,0.037556786,0.037556786,GGA+U,P2_1/c,A3B14C4_mP42_14_ae_7e_2e:Cr-O-P,42.0,"Invalid WP multiplicities - A3B14C4_mP42_14_2a2e_7e_2e:Cr-O-P, expected Cr3P2O7 to be Cr3(P2O7)2" +mp-504406,Cr4P9O32,-7.7621908778,-2.3038364067,0.1086302642,0.1086302642,GGA+U,P-42_1c,A4B32C9_tP90_114_e_8e_a2e:Cr-O-P,90.0,"Invalid WP multiplicities - A4B32C9_tP90_114_e_52e_2a11e:Cr-O-P, expected Cr2P23O104 to be Cr4P9O32" +mp-585323,Cr4P7O24,-8.1314793957,-2.553598353,0.019872255,0.019872255,GGA+U,P-1,A4B24C7_aP70_2_4i_24i_7i:Cr-O-P,70.0,"Invalid WP multiplicities - A4B24C7_aP70_2_7i_47i_14i:Cr-O-P, expected Cr7P14O47 to be Cr4P7O24" +mp-1047904,Cr3P3O13,-8.1607108258,-2.3972369744,0.0634411011,0.0634411011,GGA+U,P2_1/m,A3B13C3_mP38_11_a2e_7e3f_3e:Cr-O-P,38.0,"Invalid WP multiplicities - A3B13C3_mP38_11_2a3e_12e11f_3e:Cr-O-P, expected Cr5P3O34 to be Cr3P3O13" +mp-26116,Cr2P3O10,-8.191418343,-2.5238923715,0.057085146,0.057085146,GGA+U,P2_1/m,A2B10C3_mP30_11_f_4e3f_3e:Cr-O-P,30.0,"Invalid WP multiplicities - A2B10C3_mP30_11_f_8e10f_6e:Cr-O-P, expected CrP3O14 to be Cr2P3O10" +mp-1214408,Cr4(P2O7)3,-8.0955260476,-2.4512528909,0.1560602324,0.1560602324,GGA+U,Pnma,A4B21C6_oP124_62_2d_9c6d_6c:Cr-O-P,124.0,A4B21C6_oP124_62_2d_9c6d_6c:Cr-O-P +mp-504336,Cr5(PO4)4,-8.4818283964,-2.5192097261,0.007169627,0.007169627,GGA+U,P-1,A5B16C4_aP25_2_a2i_8i_2i:Cr-O-P,50.0,"Invalid WP multiplicities - A5B16C4_aP25_2_2a2i_8i_2i:Cr-O-P, expected Cr3(PO4)2 to be Cr5(PO4)4" +mp-725566,Cr5(PO4)4,-6.097922098,-0.1353034277,2.3910759254,2.3910759254,GGA+U,P-1,A5B16C4_aP25_2_a2i_8i_2i:Cr-O-P,25.0,"Invalid WP multiplicities - A5B16C4_aP25_2_a3i_15i_3i:Cr-O-P, expected Cr7(PO5)6 to be Cr5(PO4)4" +mp-705409,Cr3(PO4)4,-7.9447604712,-2.303048653,0.13163169,0.13163169,GGA+U,P1,A3B16C4_aP69_1_9a_48a_12a:Cr-O-P,69.0,A3B16C4_aP69_1_9a_48a_12a:Cr-O-P +mp-31744,Cr3(PO4)4,-7.9494885378,-2.3077767197,0.1269036233,0.1269036233,GGA+U,P2_1,A3B16C4_mP46_4_3a_16a_4a:Cr-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mP46_4_3a_31a_7a:Cr-O-P, expected Cr3P7O31 to be Cr3(PO4)4" +mp-695952,Cr3(PO4)4,-7.9831557843,-2.3414439662,0.0932363768,0.0932363768,GGA+U,C2/c,A3B16C4_mC92_15_cf_8f_2f:Cr-O-P,46.0,"Invalid WP multiplicities - A3B16C4_mC92_15_af_30f_8f:Cr-O-P, expected Cr3(P4O15)4 to be Cr3(PO4)4" +mp-29360,Cr2P4O13,-8.1431368867,-2.6028075071,0.0107776438,0.0107776438,GGA+U,P2_1/c,A2B13C4_mP76_14_2e_13e_4e:Cr-O-P,76.0,"Invalid WP multiplicities - A2B13C4_mP76_14_2e_16e_4e:Cr-O-P, expected Cr(PO4)2 to be Cr2P4O13" +mp-705019,Cr(PO3)5,-7.6315676421,-2.3496680863,0.0861511734,0.0861511734,GGA+U,Pc,AB15C5_mP42_7_a_15a_5a:Cr-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_7_a_29a_9a:Cr-O-P, expected CrP9O29 to be Cr(PO3)5" +mp-1101562,Cr(PO3)5,-7.4925339017,-2.2106343459,0.2251849139,0.2251849139,GGA+U,Pc,AB15C5_mP42_7_a_15a_5a:Cr-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_13_a_2f25g_2e7g:Cr-O-P, expected Cr(P4O13)4 to be Cr(PO3)5" +mp-705300,Cr(PO3)5,-7.6275824621,-2.3456829063,0.0901363534,0.0901363534,GGA+U,P2_1/m,AB15C5_mP42_11_a_3e6f_e2f:Cr-O-P,42.0,"Invalid WP multiplicities - AB15C5_mP42_11_a_6e22f_2e4f:Cr-O-P, expected Cr(PO5)10 to be Cr(PO3)5" +mp-31690,Cr(PO3)3,-7.9449005477,-2.528504133,0.0925592046,0.030408317,GGA+U,P-1,AB9C3_aP52_2_2i_18i_6i:Cr-O-P,52.0,AB9C3_aP52_2_4i_36i_12i:Cr-O-P +mp-9403,Cr(PO3)3,-8.0200411587,-2.603644744,0.0174185936,-0.044732294,GGA+U,Cc,AB9C3_mC156_9_3a_27a_9a:Cr-O-P,78.0,AB9C3_mC156_9_3a_27a_9a:Cr-O-P +mp-558497,Cr(PO3)3,-8.0158512104,-2.5994547957,0.0216085419,-0.0405423457,GGA+U,Cc,AB9C3_mC52_9_a_9a_3a:Cr-O-P,52.0,AB9C3_mC52_9_a_9a_3a:Cr-O-P +mp-584637,Cr(PO3)3,-8.0137972831,-2.5974008684000003,0.0236624692,-0.0384884184,GGA+U,Cc,AB9C3_mC52_9_a_9a_3a:Cr-O-P,26.0,"Invalid WP multiplicities - AB9C3_hP26_188_a_2k3l_k:Cr-O-P, expected Cr(PO8)3 to be Cr(PO3)3" +mp-554600,Cr(PO3)3,-8.0374597523,-2.6210633376,0.0,-0.0621508876,GGA+U,P2_1/c,AB9C3_mP52_14_e_9e_3e:Cr-O-P,52.0,"Invalid WP multiplicities - AB9C3_mP52_14_e_32e_8e:Cr-O-P, expected Cr(PO4)8 to be Cr(PO3)3" +mp-555540,Cr(PO3)3,-8.0147749287,-2.5983785139,0.0226848237,-0.0394660639,GGA+U,C2/c,AB9C3_mC52_15_c_a4f_ef:Cr-O-P,52.0,AB9C3_mC52_15_a_c4f_ef:Cr-O-P +mp-759495,Cr(PO3)3,-8.0017083221,-2.5853119074,0.0357514302,-0.0263994574,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Cr-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_9a:Cr-O-P, expected Cr(P3O11)3 to be Cr(PO3)3" +mp-26112,Cr(PO3)3,-7.9969094983,-2.5805130836,0.040550254,-0.0216006336,GGA+U,P2_12_12_1,AB9C3_oP52_19_a_9a_3a:Cr-O-P,52.0,"Invalid WP multiplicities - AB9C3_oP52_19_a_33a_8a:Cr-O-P, expected CrP8O33 to be Cr(PO3)3" +mp-26910,Cr(PO3)3,-8.0121368858,-2.5957404711,0.0253228665,-0.0368280211,GGA+U,P-6c2,AB9C3_hP26_188_a_kl_k:Cr-O-P,26.0,"Invalid WP multiplicities - AB9C3_hP26_188_a_3k2l_k:Cr-O-P, expected Cr(PO7)3 to be Cr(PO3)3" +mp-759101,Cr3P4O15,-8.1308715016,-2.4575677241,0.0877799073,0.0877799073,GGA+U,Pna2_1,A3B15C4_oP88_33_3a_15a_4a:Cr-O-P,88.0,"Invalid WP multiplicities - A3B15C4_oP88_33_9a_57a_13a:Cr-O-P, expected Cr9P13O57 to be Cr3P4O15" +mp-935592,Cr2(PO4)3,-3.9099835859,1.6727380021,4.0499940851,4.0499940851,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Cr-O-P,34.0,"Invalid WP multiplicities - A2B12C3_aP34_2_3i_23i_4i:Cr-O-P, expected Cr3P4O23 to be Cr2(PO4)3" +mp-26548,Cr2(PO4)3,-7.8974335471,-2.3147119591,0.0625441239,0.0625441239,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Cr-O-P,34.0,"Invalid WP multiplicities - A2B12C3_aP34_2_4i_24i_4i:Cr-O-P, expected CrPO6 to be Cr2(PO4)3" +mp-1361134,Cr2(PO4)3,-3.6735067626,1.9092148253,4.2864709083,4.2864709083,GGA+U,P-1,A2B12C3_aP34_2_2i_12i_3i:Cr-O-P,34.0,"Invalid WP multiplicities - A2B12C3_aP34_2_4i_24i_4i:Cr-O-P, expected CrPO6 to be Cr2(PO4)3" +mp-26500,Cr2(PO4)3,-7.8955904332,-2.3128688453,0.0643872378,0.0643872378,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Cr-O-P,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_5e_43e_8e:Cr-O-P, expected Cr5P8O43 to be Cr2(PO4)3" +mp-504291,Cr2(PO4)3,-7.8972069299,-2.3144853419,0.0627707411,0.0627707411,GGA+U,Pbcn,A2B12C3_oP68_60_d_6d_cd:Cr-O-P,68.0,"Invalid WP multiplicities - A2B12C3_oP68_60_d_21d_3c2d:Cr-O-P, expected Cr2(PO6)7 to be Cr2(PO4)3" +mp-26610,Cr2(PO4)3,-7.898528425,-2.3158068371,0.061449246,0.061449246,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Cr-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_16f_f:Cr-O-P, expected CrPO16 to be Cr2(PO4)3" +mp-26316,Cr2(PO4)3,-7.8974511518,-2.3147295638,0.0625265192,0.0625265192,GGA+U,R-3c,A2B12C3_hR102_167_c_2f_e:Cr-O-P,34.0,"Invalid WP multiplicities - A2B12C3_hR102_167_c_13f_e:Cr-O-P, expected Cr2(PO26)3 to be Cr2(PO4)3" +mp-753745,CrPO4,-8.34218638,-2.5333355764,0.0640468367,0.020418522,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_aP24_2_3i_15i_3i:Cr-O-P, expected CrPO5 to be CrPO4" +mp-504314,CrPO4,-8.2833144358,-2.4744636322,0.1229187808,0.0792904661,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_aP24_2_3i_15i_3i:Cr-O-P, expected CrPO5 to be CrPO4" +mp-26918,CrPO4,-8.3215948292,-2.5127440256,0.0846383875,0.0410100728,GGA+U,P-1,AB4C_aP24_2_2i_8i_2i:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_aP24_2_3i_14i_3i:Cr-O-P, expected Cr3P3O14 to be CrPO4" +mp-689963,CrPO4,-8.2331669204,-2.4243161168,0.1730662963,0.1294379816,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Cr-O-P, expected CrPO13 to be CrPO4" +mp-849773,CrPO4,-8.3388835465,-2.5300327428,0.0673496702,0.0237213555,GGA+U,P2_1/c,AB4C_mP48_14_2e_8e_2e:Cr-O-P,48.0,"Invalid WP multiplicities - AB4C_mP48_14_3e_27e_3e:Cr-O-P, expected CrPO9 to be CrPO4" +mp-690012,CrPO4,-8.1624201292,-2.3535693256,0.2438130875,0.2001847728,GGA+U,C2/c,AB4C_mC48_15_f_4f_f:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_mC48_15_f_12f_f:Cr-O-P, expected CrPO12 to be CrPO4" +mp-1351781,CrPO4,-8.1923806727,-2.3835298691,0.213852544,0.1702242293,GGA+U,C2/c,AB4C_mC96_15_cef_8f_2f:Cr-O-P,48.0,"Invalid WP multiplicities - AB4C_mC96_15_2ce2f_30f_6f:Cr-O-P, expected Cr7(PO5)12 to be CrPO4" +mp-27042,CrPO4,-8.2868363308,-2.4779855272,0.1193968858,0.0757685711,GGA+U,Fdd2,AB4C_oF48_43_a_2b_a:Cr-O-P,12.0,"Invalid WP multiplicities - AB4C_oF48_43_a_6b_a:Cr-O-P, expected CrPO12 to be CrPO4" +mp-26580,CrPO4,-8.290022950400001,-2.4811721468,0.1162102663,0.0725819516,GGA+U,Pbca,AB4C_oP48_61_c_4c_c:Cr-O-P,48.0,"Invalid WP multiplicities - AB4C_oP48_61_c_18c_c:Cr-O-P, expected CrPO18 to be CrPO4" +mp-764345,CrPO4,-8.3839964292,-2.5751456256000003,0.0222367875,-0.0213915272,GGA+U,Pnma,AB4C_oP24_62_a_2cd_c:Cr-O-P,24.0,AB4C_oP24_62_a_2cd_c:Cr-O-P +mp-25452,CrPO4,-8.3510004479,-2.5421496443,0.0552327688,0.0116044541,GGA+U,Pnma,AB4C_oP24_62_c_2cd_c:Cr-O-P,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_4c2d_c:Cr-O-P, expected CrPO8 to be CrPO4" +mp-18906,CrPO4,-8.38927447,-2.5804236664,0.0169587467,-0.026669568,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Cr-O-P,24.0,AB4C_oC24_63_a_fg_c:Cr-O-P +mp-19401,CrPO4,-8.4062332167,-2.5973824131,0.0,-0.0436283147,GGA+U,Imma,AB4C_oI72_74_ag_hi2j_eg:Cr-O-P,36.0,AB4C_oI72_74_ag_hi2j_eg:Cr-O-P +mp-504335,CrPO4,-8.1830270214,-2.3741762178,0.2232061953,0.1795778806,GGA+U,P31c,AB4C_hP36_159_c_a2b3c_a2b:Cr-O-P,36.0,"Invalid WP multiplicities - AB4C_hP36_159_c_2a4b14c_a3b:Cr-O-P, expected Cr3(PO12)4 to be CrPO4" +mp-772171,Cr(PO3)2,-8.0659109267,-2.4926015099,0.0709350331,0.0709350331,GGA+U,Cc,AB6C2_mC72_9_2a_12a_4a:Cr-O-P,36.0,"Invalid WP multiplicities - AB6C2_mC72_9_2a_16a_6a:Cr-O-P, expected CrP3O8 to be Cr(PO3)2" +mp-1178445,Cr(PO3)2,-8.0686317375,-2.4953223207,0.0682142222,0.0682142222,GGA+U,P2_1/c,AB6C2_mP72_14_2e_12e_4e:Cr-O-P,72.0,"Invalid WP multiplicities - AB6C2_mP72_14_3e_43e_7e:Cr-O-P, expected Cr3P7O43 to be Cr(PO3)2" +mp-772172,Cr(PO3)2,-8.126422505,-2.5531130882,0.0104234547,0.0104234547,GGA+U,C2/c,AB6C2_mC72_15_ce_6f_2f:Cr-O-P,36.0,"Invalid WP multiplicities - AB6C2_mC72_15_c2e_23f_7f:Cr-O-P, expected Cr3(P7O23)2 to be Cr(PO3)2" +mp-754772,Cr(PO3)2,-8.09589849,-2.5225890732,0.0409474697,0.0409474697,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Cr-O-P,36.0,AB6C2_mC36_15_e_3f_f:Cr-O-P +mp-774614,Cr(PO3)2,-8.112327476,-2.5390180592,0.0245184838,0.0245184838,GGA+U,Pbca,AB6C2_oP72_61_c_6c_2c:Cr-O-P,72.0,"Invalid WP multiplicities - AB6C2_oP72_61_c_21c_5c:Cr-O-P, expected CrP5O21 to be Cr(PO3)2" +mp-772202,Cr4P2O9,-8.6011541218,-2.3372212355,0.0593423793,0.0593423793,GGA+U,P2_1/c,A4B9C2_mP60_14_4e_9e_2e:Cr-O-P,60.0,"Invalid WP multiplicities - A4B9C2_mP60_14_11e_33e_7e:Cr-O-P, expected Cr11P7O33 to be Cr4P2O9" +mp-25818,Cr2P3O11,-8.13209433,-2.5096206873,0.016213901,0.016213901,GGA+U,C2/c,A2B11C3_mC64_15_f_e5f_ef:Cr-O-P,32.0,"Invalid WP multiplicities - A2B11C3_mC64_15_f_2e17f_2e2f:Cr-O-P, expected Cr(PO6)3 to be Cr2P3O11" +mp-2231774,MgSb4(WO6)2,-7.3795799179,-1.9378530755,0.1172427105,0.1172427105,GGA+U,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Sb-W,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Sb-W +mp-1026471,Mg14SbW,-2.3416397506,0.12655101,0.2141345079,0.2141345079,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-W, expected Mg18SbW to be Mg14SbW" +mp-1026454,Mg14SbW,-2.3684245675,0.0997661931,0.187349691,0.187349691,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-W, expected Mg26SbW to be Mg14SbW" +mp-1017022,Mg6SbW,-3.0886612112,0.24744026,0.3997494421,0.3997494421,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-W, expected Mg12SbW to be Mg6SbW" +mp-1017035,Mg6SbW,-3.1440928831,0.1920085881,0.3443177703,0.3443177703,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-W, expected Mg12SbW to be Mg6SbW" +mp-1047279,Mg2SbWO6,-7.274864431,-2.2780820473,0.1766731507,0.1766731507,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sb-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sb-W +mp-1445762,Mg2SbWO6,-3.724707989,1.2720743948,3.7268295927,3.7268295927,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sb-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sb-W +mp-1368098,Mg2SbWO6,-7.241096577,-2.2443141933,0.2104410047,0.2104410047,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sb-W,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Mg-O-Sb-W, expected Mg2SbWO16 to be Mg2SbWO6" +mp-1344776,Mg2SbWO6,-7.283036302,-2.2862539183,0.1685012797,0.1685012797,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-Sb-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-Sb-W +mp-22252,LaFe3(BO3)4,-8.4078555975,-2.5866604798,0.0097588866,0.0097588866,GGA+U,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Fe-La-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_155_ad_e_b_2d2f:B-Fe-La-O, expected LaFe3(B2O9)2 to be LaFe3(BO3)4" +mp-1199045,DyFe3(BO3)4,-8.3847740487,-2.5800399442,0.014583635,0.014583635,GGA+U,P3_121,A4BC3D12_hP60_152_2ac_b_bc_2a5c:B-Dy-Fe-O,60.0,A4BC3D12_hP60_152_2ac_b_bc_2a5c:B-Dy-Fe-O +mp-1212820,DyFe3(BO3)4,-8.383796372,-2.5790622676,0.0155613116,0.0155613116,GGA+U,R32,A4BC3D12_hR60_155_ad_b_e_2df:B-Dy-Fe-O,20.0,A4BC3D12_hR60_155_ad_b_e_2df:B-Dy-Fe-O +mp-1215822,ZnFeBO4,-7.2551562696,-2.0843117788,0.076709093,0.076709093,GGA+U,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Fe-O-Zn,28.0,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Fe-O-Zn +mp-1194472,MnSb2(OF4)2,-5.4003169796,-2.1229918308,0.4308362469,0.4308362469,GGA+U,P2_1/c,A8BC2D2_mP26_14_4e_a_e_e:F-Mn-O-Sb,26.0,A8BC2D2_mP26_14_4e_a_e_e:F-Mn-O-Sb +mp-569726,HoAlB14,-6.5277717272,-0.162804884,0.0515844104,0.0515844104,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Ho,32.0,"Invalid WP multiplicities - AB14C_oI64_74_a_10i10j_e:Al-B-Ho, expected HoAlB60 to be HoAlB14" +mp-1212096,HoAlB4,-6.3391870408,-0.4982617436,0.0,-0.0052969146,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Ho,24.0,AB4C_oP24_55_g_4h_g:Al-B-Ho +mp-1212149,HoAl3(BO3)4,-8.346865728000001,-3.2520173291,0.0070544606,0.0070544606,GGA,C2/c,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Ho-O,40.0,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Ho-O +mp-1212105,HoAl3(BO3)4,-8.3475423385,-3.2526939396,0.0063778501,0.0063778501,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Ho-O,20.0,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Ho-O +mp-1211862,KEuF4,-6.7797398658,-3.610853763,0.0,-0.040697764,GGA,Pnma,AB4C_oP24_62_c_4c_c:Eu-F-K,24.0,AB4C_oP24_62_c_4c_c:Eu-F-K +mp-1203051,K5Li2EuF10,-5.3548692728,-3.202556387,0.0125348743,0.0125348743,GGA,Pnma,AB10C5D2_oP72_62_c_6c2d_c2d_2c:Eu-F-K-Li,72.0,AB10C5D2_oP72_62_c_6c2d_c2d_2c:Eu-F-K-Li +mp-1212263,K2EuF5,-6.2034419634,-3.449042647,0.0,-0.0069221941,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Eu-F-K,32.0,AB5C2_oP32_62_c_3cd_d:Eu-F-K +mp-1205908,K3EuF6,-5.740257881,-3.2345506364,0.1118675858,0.1118675858,GGA,I4/mmm,AB6C3_tI20_139_a_ei_bd:Eu-F-K,10.0,AB6C3_tI20_139_a_ei_bd:Eu-F-K +mp-1205962,K3EuF6,-5.761877433,-3.2561701884,0.0902480338,0.0902480338,GGA,Fm-3m,AB6C3_cF40_225_a_e_bc:Eu-F-K,10.0,AB6C3_cF40_225_a_e_bc:Eu-F-K +mp-1211514,LiEuF2,-6.7356482463,-2.7384275958,0.3760026512,0.3760026512,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Eu-F-Li,16.0,AB2C_tI32_141_c_h_d:Eu-F-Li +mp-1211617,LiEuF2,-6.7755253994,-2.778304749,0.3361254981,0.3361254981,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Eu-F-Li,16.0,AB2C_tI32_141_c_h_d:Eu-F-Li +mp-728476,K8Rh3(Br9O5)2,-3.4552491831,-0.6758257923000001,0.5580826303,0.5580826303,GGA,Pbam,A18B8C10D3_oP78_55_e2g4hi_2i_g2i_ah:Br-K-O-Rh,78.0,A18B8C10D3_oP78_55_e2g4hi_2i_g2i_ah:Br-K-O-Rh +mp-1204485,K8Rh3(Br9O5)2,-3.6036753603,-0.8242519695,0.4096564532,0.4096564532,GGA,Pbam,A18B8C10D3_oP78_55_e2g4hi_2i_g2i_ah:Br-K-O-Rh,78.0,A18B8C10D3_oP78_55_e2g4hi_2i_g2i_ah:Br-K-O-Rh +mp-867920,K2Rh2O5,-5.8661970967,-1.23476852,0.0,-0.0054723533,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:K-O-Rh,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:K-O-Rh, expected K2Rh2O9 to be K2Rh2O5" +mp-975134,KRhO3,-5.852144456,-1.1891898659,0.061124044,0.061124044,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Rh,5.0,AB3C_cP5_221_a_c_b:K-O-Rh +mp-1110937,K2LiSbI6,-2.880587334,-1.1706953239,0.0737280955,0.0737280955,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:I-K-Li-Sb +mp-669377,Ba2CaWN4,-7.6631739903,-1.1447165291,0.0041572531,0.0041572531,GGA,Fddd,A2BC4D_oF128_70_ef_e_2h_g:Ba-Ca-N-W,32.0,"Invalid WP multiplicities - A2BC4D_oF128_70_2e2f_e_10h_g:Ba-Ca-N-W, expected Ba4CaWN20 to be Ba2CaWN4" +mp-1214597,BaCa2WN4,-7.7416357605,-1.2123501817,0.0,-0.1981473961,GGA,Pbca,AB2C4D_oP64_61_c_2c_4c_c:Ba-Ca-N-W,64.0,AB2C4D_oP64_61_c_2c_4c_c:Ba-Ca-N-W +mp-1113905,Rb2YHgF6,-5.127861398,-3.1078520552,0.1158393071,0.1158393071,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Hg-Rb-Y +mp-651087,Gd13Ge6O31F,-10.5209418169,-3.3447342626,0.0036178686,0.0036178686,GGA,R3,AB13C6D31_hR153_146_a_a4b_2b_a10b:F-Gd-Ge-O,51.0,"Invalid WP multiplicities - AB13C6D31_hR153_146_a_a10b_3b_a29b:F-Gd-Ge-O, expected Gd31Ge9O88F to be Gd13Ge6O31F" +mp-1212294,KNi(BrO2)3,-4.2972069591,-0.549047606,0.2363639802,0.2363639802,GGA+U,C2/c,A3BCD6_mC44_15_cf_e_d_3f:Br-K-Ni-O,22.0,A3BCD6_mC44_15_af_e_b_3f:Br-K-Ni-O +mp-36262,BrO2F,-4.0007968825,-0.6613257025,0.0,-0.1419682892,GGA,Cc,ABC2_mC16_9_a_a_2a:Br-F-O,8.0,"Invalid WP multiplicities - ABC2_mC16_9_a_a_4a:Br-F-O, expected BrO4F to be BrO2F" +mp-1206495,Pb2BrOF,-5.039777091,-1.8724790613,0.0,-0.026916087,GGA,Cmme,ABCD2_oC20_67_g_a_b_m:Br-F-O-Pb,10.0,ABCD2_oC20_67_g_a_b_m:Br-F-O-Pb +mp-1194113,Y2ZnS4,-6.3785185232,-1.9873063369,0.0136171412,0.0136171412,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:S-Y-Zn,28.0,A4B2C_oP28_62_2cd_ac_c:S-Y-Zn +mp-1001015,Y2ZnS4,-6.3447287671,-1.9535165808,0.0474068972,0.0474068972,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:S-Y-Zn,14.0,A4B2C_cF56_227_e_c_b:S-Y-Zn +mp-1216118,Y6Zn(GeS7)2,-6.4539792517,-1.7924608110000002,0.022792813,0.022792813,GGA,P3,A2B14C6D_hP23_143_ab_ab4d_2d_c:Ge-S-Y-Zn,23.0,A2B14C6D_hP23_143_ab_ab4d_2d_c:Ge-S-Y-Zn +mp-1194159,Y4Zn5Ge6,-4.557073731,-0.5635557554,0.0,-0.0125276689,GGA,Cmc2_1,A6B4C5_oC60_36_6a_4a_5a:Ge-Y-Zn,30.0,A6B4C5_oC60_36_6a_4a_5a:Ge-Y-Zn +mp-13160,YZnGe,-4.8017293167,-0.6853151239,0.0,-0.051760698,GGA,P6_3/mmc,ABC_hP12_194_f_ab_f:Ge-Y-Zn,12.0,ABC_hP12_194_f_ab_f:Ge-Y-Zn +mp-1220544,NdYFe14B,-8.1067633788,-0.0776864814,0.0050815089,0.0050815089,GGA,P4_2/mnm,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Y,68.0,AB14CD_tP68_136_f_ce2j2k_g_f:B-Fe-Nd-Y +mp-1198357,Ba3Mo2(IO9)2,-6.4745681568,-1.6971539751,0.138410651,0.138410651,GGA+U,Fdd2,A3B2C2D18_oF200_43_ab_b_b_9b:Ba-I-Mo-O,50.0,A3B2C2D18_oF200_43_ab_b_b_9b:Ba-I-Mo-O +mp-1203873,BaMoI4O15,-5.6027761658,-1.1809465887,0.1109249987,0.1109249987,GGA+U,P2_1/c,AB4CD15_mP84_14_e_4e_e_15e:Ba-I-Mo-O,84.0,AB4CD15_mP84_14_e_4e_e_15e:Ba-I-Mo-O +mp-1201115,BaMo6I2O25,-7.4072725349,-1.7129541207,0.0587205357,0.0587205357,GGA+U,C2/c,AB2C6D25_mC136_15_e_f_3f_e12f:Ba-I-Mo-O,68.0,AB2C6D25_mC136_15_e_f_3f_e12f:Ba-I-Mo-O +mp-1247392,MgFeWS4,-6.5283742914000005,-0.8749127261,0.3154941007,0.3154941007,GGA,Imm2,ABC4D_oI28_44_c_ab_2c2d_d:Fe-Mg-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_c_ab_4c3d_d:Fe-Mg-S-W, expected MgFeWS7 to be MgFeWS4" +mp-1246789,Mg2Fe3WS8,-6.1213256186,-0.7884432689,0.3364217925,0.3364217925,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Mg-S-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Fe-Mg-S-W, expected Mg2Fe3WS22 to be Mg2Fe3WS8" +mp-1099086,Mg14FeW,-2.5418054275,0.1976990813,0.2123619524,0.2123619524,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-W, expected Mg18FeW to be Mg14FeW" +mp-1027792,Mg14FeW,-2.4846015275,0.2549029812,0.2695658524,0.2695658524,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-W, expected Mg26FeW to be Mg14FeW" +mp-1246453,Mg2FeW3S8,-6.9370519129,-0.9630111318,0.258127945,0.258127945,GGA,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Fe-Mg-S-W,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_160_a_2a_2a3b_b:Fe-Mg-S-W, expected Mg2FeW3S11 to be Mg2FeW3S8" +mp-1022195,Mg6FeW,-3.4928871931,0.3858417744,0.400903056,0.400903056,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-W, expected Mg12FeW to be Mg6FeW" +mp-1022209,Mg6FeW,-3.5633059231,0.3154230444,0.330484326,0.330484326,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-W, expected Mg12FeW to be Mg6FeW" +mp-1213830,Ce3W(ClO2)3,-8.2055029342,-3.1298767848,0.0,-0.0132955492,GGA+U,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Ce-Cl-O-W,26.0,A3B3C6D_hP26_176_h_h_i_c:Ce-Cl-O-W +mp-555451,Sr3U(Te2O7)2,-6.9893440957,-2.5263097366,0.0,-0.0164151999999999,GGA,C2/c,A14B3C4D_mC88_15_7f_ef_2f_c:O-Sr-Te-U,44.0,"Invalid WP multiplicities - A14B3C4D_mC88_15_25f_2e2f_7f_a:O-Sr-Te-U, expected Sr6U(Te7O25)2 to be Sr3U(Te2O7)2" +mp-540544,U8CrS17,-8.2563196335,-1.7061667378,0.0,-0.0613547976,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Cr-S-U,26.0,AB17C8_mC52_12_a_d4i2j_2ij:Cr-S-U +mp-22063,UCrS3,-8.0527705425,-1.3820091264,0.0169002337,0.0169002337,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cr-S-U,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_c2d_c:Cr-S-U, expected UCrS5 to be UCrS3" +mp-30903,Ba3CrS5,-5.7882521994000005,-1.7780053523,0.0968681708,0.0968681708,GGA,P6_3cm,A3BC5_hP18_185_c_a_bc:Ba-Cr-S,18.0,A3BC5_hP18_185_c_a_bc:Ba-Cr-S +mp-21686,Ba4UCr2S9,-6.5808649258,-1.8620240813,0.0,-0.0320278826,GGA,P321,A4B2C9D_hP48_150_efg_c2d_e4g_bd:Ba-Cr-S-U,48.0,"Invalid WP multiplicities - A4B2C9D_hP48_150_2e2f4g_2c2d_3e20g_bd:Ba-Cr-S-U, expected Ba36U3Cr8S129 to be Ba4UCr2S9" +mp-1229162,Ba(Cr5S8)2,-7.2306224563,-1.133116993,0.0,-0.0345265378,GGA,P-1,AB10C16_aP27_2_b_ad4i_8i:Ba-Cr-S,27.0,"Invalid WP multiplicities - AB10C16_aP27_2_b_ad6i_12i:Ba-Cr-S, expected Ba(Cr7S12)2 to be Ba(Cr5S8)2" +mp-30904,Ba3(CrS3)2,-6.2511850055,-1.7164832817,0.0259758985,0.0259758985,GGA,R-3c,A3B2C6_hR66_167_e_ab_f:Ba-Cr-S,22.0,A3B2C6_hR66_167_e_ab_f:Ba-Cr-S +mp-1078516,BaCrS2,-6.4967814263,-1.5355508903,0.0617033583,0.0617033583,GGA,P4/nmm,ABC2_tP8_129_c_c_ac:Ba-Cr-S,8.0,ABC2_tP8_129_c_c_ac:Ba-Cr-S +mp-1228706,Ba2(CrS2)5,-6.8118524274,-1.3137532568,0.0149182503,0.0149182503,GGA,P-1,A2B5C10_aP34_2_2i_5i_10i:Ba-Cr-S,34.0,A2B5C10_aP34_2_2i_5i_10i:Ba-Cr-S +mp-557882,BaCr4S7,-7.0199219079,-1.2293957506,0.0234134577,0.0234134577,GGA,P2_1/c,AB4C7_mP48_14_e_4e_7e:Ba-Cr-S,48.0,"Invalid WP multiplicities - AB4C7_mP48_14_e_15e_25e:Ba-Cr-S, expected Ba(Cr3S5)5 to be BaCr4S7" +mp-1212987,DyMg(BO2)5,-8.3455522932,-3.1060868311,0.0002143648,0.0002143648,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Dy-Mg-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Dy-Mg-O +mp-15519,NdZn(BO2)5,-8.1503125915,-2.921386885,0.0061888744,0.0061888744,GGA,P2_1/c,A5BC10D_mP68_14_5e_e_10e_e:B-Nd-O-Zn,68.0,"Invalid WP multiplicities - A5BC10D_mP68_14_6e_e_15e_e:B-Nd-O-Zn, expected NdZn(B2O5)3 to be NdZn(BO2)5" +mp-1208994,ScTl(SO4)2,-7.02326409,-2.311470617,0.0049328805,0.0049328805,GGA,P321,A8B2CD_hP12_150_dg_d_a_b:O-S-Sc-Tl,12.0,A8B2CD_hP12_150_dg_d_a_b:O-S-Sc-Tl +mp-755219,ScTlO2,-7.330204135,-2.6830817165000003,0.1055042292,0.1055042292,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Sc-Tl,4.0,A2BC_hR12_166_c_a_b:O-Sc-Tl +mp-754384,ScTlO2,-7.3343268662,-2.6872044477,0.101381498,0.101381498,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:O-Sc-Tl,8.0,A2BC_hP8_194_f_a_c:O-Sc-Tl +mp-752429,ScTlO3,-7.165380819,-2.4583451419,0.0787690024,0.0787690024,GGA,Pnma,A3BC_oP20_62_cd_a_c:O-Sc-Tl,20.0,"Invalid WP multiplicities - A3BC_oP20_62_3c2d_a_c:O-Sc-Tl, expected ScTlO7 to be ScTlO3" +mp-1211391,KPr(MoO4)2,-8.1044320258,-2.5080891415,0.000144391,0.000144391,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Pr,24.0,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Pr +mp-649950,RuC3Br2O3,-7.1609635411,-1.0602388954,0.0578925808,0.0578925808,GGA,C2/m,A2B3C3D_mC36_12_gi_ij_ij_i:Br-C-O-Ru,18.0,"Invalid WP multiplicities - A2B3C3D_mC36_12_2g2i_2i2j_ij_i:Br-C-O-Ru, expected RuC6Br4O3 to be RuC3Br2O3" +mp-3846,LaBPd3,-5.99322739,-0.5622185288,0.1440842552,0.1440842552,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-La-Pd,5.0,ABC3_cP5_221_b_a_c:B-La-Pd +mp-1017581,LaPd3C,-6.130292684,-0.1894290785,0.4675903565,0.4675903565,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-La-Pd,5.0,ABC3_cP5_221_b_a_c:C-La-Pd +mp-1024956,LaB2Pd2C,-6.839005235,-0.5251352751,0.0585183588,0.0585183588,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-La-Pd,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-La-Pd +mp-1197124,Cs3Rh9(CO)19,-7.7472672725,-0.9813331161,0.1652048777,0.1652048777,GGA,P2_1/c,A19B3C19D9_mP200_14_19e_3e_19e_9e:C-Cs-O-Rh,200.0,A19B3C19D9_mP200_14_19e_3e_19e_9e:C-Cs-O-Rh +mp-1199463,Rh(CO)3,-8.0275881072,-0.9003923242,0.2376859176,0.2376859176,GGA,P2_1/c,A3B3C_mP112_14_12e_12e_4e:C-O-Rh,112.0,A3B3C_mP112_14_12e_12e_4e:C-O-Rh +mp-683938,Rh8C20O19,-8.0096443413,-0.8293282067000001,0.2441782199,0.2441782199,GGA,P-1,A20B19C8_aP94_2_20i_19i_8i:C-O-Rh,94.0,"Invalid WP multiplicities - A20B19C8_aP94_2_39i_38i_15i:C-O-Rh, expected Rh15C39O38 to be Rh8C20O19" +mp-1333889,Rh8C20O19,-6.5695574579,0.6107586767000001,1.6842651033,1.6842651033,GGA,P-1,A20B19C8_aP94_2_20i_19i_8i:C-O-Rh,94.0,"Invalid WP multiplicities - A20B19C8_aP94_2_39i_38i_15i:C-O-Rh, expected Rh15C39O38 to be Rh8C20O19" +mp-1201509,Rb3B(SeO4)3,-5.9079821422,-1.7254035656000002,0.0,-0.0072910889,GGA,Ibca,AB12C3D3_oI152_73_d_6f_cf_cf:B-O-Rb-Se,76.0,AB12C3D3_oI152_73_d_6f_cf_cf:B-O-Rb-Se +mp-1196428,RbB2Se3O10,-6.4076180881,-1.7642468906,0.0624070485,0.0624070485,GGA,P2_12_12_1,A2B10CD3_oP64_19_2a_10a_a_3a:B-O-Rb-Se,64.0,A2B10CD3_oP64_19_2a_10a_a_3a:B-O-Rb-Se +mp-1221663,MnZn5(BO5)2,-6.3787856814,-2.0295410149,0.076954124,0.076954124,GGA+U,Pmc2_1,A2BC10D5_oP36_26_2a_a_6a4b_2a3b:B-Mn-O-Zn,36.0,"Invalid WP multiplicities - A2BC10D5_oP36_26_3a_a_9a6b_2a4b:B-Mn-O-Zn, expected MnZn6(BO5)3 to be MnZn5(BO5)2" +mp-1147573,Ga2Co(SO)2,-4.7384265743,-0.2625998605,1.2532768155,1.2532768155,GGA+U,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Co-Ga-O-S,7.0,AB2C2D2_tI14_139_a_d_c_e:Co-Ga-O-S +mp-1047241,Ca2MoWO6,-8.387647867,-2.6381366302,0.0246519025,0.0246519025,GGA+U,P-1,A2BC6D_aP10_2_i_b_3i_e:Ca-Mo-O-W,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_b_4i_e:Ca-Mo-O-W, expected Ca2MoWO8 to be Ca2MoWO6" +mp-1347979,Ca2MoWO6,-8.411736034,-2.6622247973,0.0005637355,0.0005637355,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mo-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mo-O-W +mp-1033178,Mg6BiCO8,-5.8746471994,-1.9843756611,0.6898043619,0.6898043619,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-C-Mg-O, expected Mg6BiCO12 to be Mg6BiCO8" +mp-1033201,Mg6BiCO8,-5.9122938081,-2.0220222698,0.6521577531,0.6521577531,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-C-Mg-O, expected Mg6BiCO12 to be Mg6BiCO8" +mp-1038437,Mg30BiCO32,-6.2063351981,-2.7786540281,0.1804212022,0.1804212022,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-C-Mg-O, expected Mg110BiCO72 to be Mg30BiCO32" +mp-1038425,Mg30BiCO32,-6.2074849772,-2.7798038071,0.1792714231,0.1792714231,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-C-Mg-O, expected Mg90BiCO80 to be Mg30BiCO32" +mp-1033751,Mg14BiCO16,-6.0982520331,-2.5163740737,0.3477360875,0.3477360875,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-C-Mg-O, expected Mg18BiCO20 to be Mg14BiCO16" +mp-1033681,Mg14BiCO16,-6.08943789,-2.5075599305000003,0.3565502306,0.3565502306,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-C-Mg-O, expected Mg30BiCO32 to be Mg14BiCO16" +mp-1026589,Mg14BiC,-2.0160563425,0.2010108652,0.2540604094,0.2540604094,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-C-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-C-Mg, expected Mg18BiC to be Mg14BiC" +mp-1098186,Mg14BiC,-2.0322719238,0.1847952839,0.2378448281,0.2378448281,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-C-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-C-Mg, expected Mg18BiC to be Mg14BiC" +mp-1026416,Mg14BiC,-1.9487468669,0.2683203408,0.321369885,0.321369885,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-C-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-C-Mg, expected Mg26BiC to be Mg14BiC" +mp-1017128,Mg6BiC,-2.2855071038,0.5483472616,0.6298625314,0.6298625314,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-C-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-C-Mg, expected Mg12BiC to be Mg6BiC" +mp-1017172,Mg6BiC,-2.4786430919,0.3552112734,0.4367265433,0.4367265433,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-C-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-C-Mg, expected Mg12BiC to be Mg6BiC" +mp-1194016,ZrGe3N2O9,-6.7378057303,-1.1638075673,0.9221813894,0.9221813894,GGA,P6_3/m,A3B2C9D_hP30_176_h_f_hi_b:Ge-N-O-Zr,30.0,A3B2C9D_hP30_176_h_f_hi_b:Ge-N-O-Zr +mp-1207429,ZrGeO2,-7.751585085,-1.9855586081,0.875290855,0.875290855,GGA,I4_1/amd,AB2C_tI32_141_c_h_d:Ge-O-Zr,16.0,AB2C_tI32_141_c_h_d:Ge-O-Zr +mp-1247537,Zr3Ge6N11,-7.6196274863,-0.3654918265,0.3743687504,0.3743687504,GGA,P4bm,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Zr,40.0,A6B11C3_tP40_100_cd_bc2d_ac:Ge-N-Zr +mp-8042,ZrGeO4,-8.4581831233,-2.965269235,0.0,-0.0150343048,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ge-O-Zr,12.0,AB4C_tI24_88_a_f_b:Ge-O-Zr +mp-1245523,ZrGeN2,-8.2434860612,-0.7825564775,0.2698707835,0.2698707835,GGA,P4/nmm,AB2C_tP8_129_c_ac_c:Ge-N-Zr,8.0,AB2C_tP8_129_c_ac_c:Ge-N-Zr +mp-1246510,Zr5(GeN3)3,-8.6177979426,-0.8745014109,0.3381414326,0.3381414326,GGA,Cmce,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Zr,68.0,A3B9C5_oC136_64_e2f_3f3g_d2fg:Ge-N-Zr +mp-27888,Zr3GeO8,-9.2063618167,-3.3863918638,0.0034757292,0.0034757292,GGA,I-42m,AB8C3_tI24_121_a_2i_bd:Ge-O-Zr,12.0,AB8C3_tI24_121_a_2i_bd:Ge-O-Zr +mp-530933,Li5P2N5,-6.0739991399,-0.9028579756,0.0096970807,0.0096970807,GGA,Pnma,A5B5C2_oP96_62_a5c2d_4c3d_2cd:Li-N-P,96.0,"Invalid WP multiplicities - A5B5C2_oP96_62_4a19c14d_14c21d_8c4d:Li-N-P, expected Li51(P2N7)8 to be Li5P2N5" +mp-1195211,LiNd(PN2)4,-7.8215997136,-1.034296876,0.0,-0.2329373461,GGA,Pnma,AB8CD4_oP56_62_c_2c3d_c_2d:Li-N-Nd-P,56.0,AB8CD4_oP56_62_c_2c3d_c_2d:Li-N-Nd-P +mp-14712,Li7PN4,-5.1780788886,-0.8346003659000001,0.0,-0.1547751199,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-P,96.0,A7B4C_cP96_218_bcefi_ei_ad:Li-N-P +mp-3524,LiPN2,-6.9893135525000005,-0.9905097467,0.0,-0.2394440863,GGA,I-42d,AB2C_tI16_122_a_d_b:Li-N-P,8.0,AB2C_tI16_122_a_d_b:Li-N-P +mp-1212165,Re6Se8O7F6,-6.3488764017,-0.8403523381,0.7813629922,0.7813629922,GGA,C2/c,A6B7C6D8_mC108_15_3f_e3f_3f_4f:F-O-Re-Se,54.0,A6B7C6D8_mC108_15_3f_e3f_3f_4f:F-O-Re-Se +mp-1219891,Re3Se4O8F,-6.4115528919,-0.6114143842,1.0240221553,1.0240221553,GGA,C2,AB8C3D4_mC64_5_c_8c_3c_4c:F-O-Re-Se,32.0,"Invalid WP multiplicities - AB8C3D4_mC64_5_c_15c_6c_7c:F-O-Re-Se, expected Re6Se7O15F to be Re3Se4O8F" +mp-1112367,K2HgBiF6,-4.226768127,-2.4433840076,0.1977993887,0.1977993887,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-F-Hg-K +mp-1216853,Tm2Si9B36C,-6.607725546,-0.2021775802,0.0,-0.0424878675,GGA,Cm,A36BC9D2_mC96_8_4a16b_a_5a2b_b:B-C-Si-Tm,48.0,"Invalid WP multiplicities - A36BC9D2_mC96_8_4a24b_a_5a4b_b:B-C-Si-Tm, expected Tm2Si13B52C to be Tm2Si9B36C" +mp-1111938,K2CrHgF6,-5.00337502,-2.6387350666,0.1363801894,0.1363801894,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-F-Hg-K +mp-1101890,PRuSe,-6.6756301908,-0.6144246827000001,0.0599752187,0.0599752187,GGA,P2_1/c,ABC_mP12_14_e_e_e:P-Ru-Se,12.0,ABC_mP12_14_e_e_e:P-Ru-Se +mp-568011,K3P5RuSe10,-4.7020287429,-0.7740694434000001,0.0,-0.0165059671,GGA,P2_1/m,A3B5CD10_mP38_11_3e_3ef_e_4e3f:K-P-Ru-Se,38.0,"Invalid WP multiplicities - A3B5CD10_mP38_11_5e_6e2f_e_8e11f:K-P-Ru-Se, expected K5P10RuSe30 to be K3P5RuSe10" +mp-1207022,K(PRu)2,-6.729412044,-0.6322502359000001,0.0,-0.1821579306,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:K-P-Ru,5.0,AB2C2_tI10_139_a_e_d:K-P-Ru +mp-1103735,Rb3Lu(PO4)2,-7.1120420114,-2.9789943371,0.0,-0.0429734914,GGA,P-3m1,AB8C2D3_hP14_164_a_di_d_bd:Lu-O-P-Rb,14.0,AB8C2D3_hP14_164_a_di_d_bd:Lu-O-P-Rb +mp-559383,RbLuP2O7,-7.8016320445,-3.1693674459,0.0,-0.0307786335,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Lu-O-P-Rb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_6e_e:Lu-O-P-Rb, expected RbLu(PO4)6 to be RbLuP2O7" +mp-18595,LuCu(BO2)5,-8.1966197212,-2.8152077708,0.0120649463,0.0120649463,GGA,Ibam,A5BCD10_oI68_72_bk_c_a_j2k:B-Cu-Lu-O,34.0,"Invalid WP multiplicities - A5BCD10_oI68_72_b2k_c_a_j3k:B-Cu-Lu-O, expected LuCuB9O14 to be LuCu(BO2)5" +mp-17268,Lu2Cu(B2O5)2,-8.2928505247,-3.0384057067,0.0060029208,0.0060029208,GGA,P2_1/c,A4BC2D10_mP34_14_2e_a_e_5e:B-Cu-Lu-O,34.0,"Invalid WP multiplicities - A4BC2D10_mP34_14_2e_a_e_6e:B-Cu-Lu-O, expected Lu2Cu(BO3)4 to be Lu2Cu(B2O5)2" +mp-553975,K3Na2InO4,-4.4878706597,-1.6364020595,0.0,-0.0061531033,GGA,P2_1/c,AB3C2D4_mP40_14_e_3e_2e_4e:In-K-Na-O,40.0,"Invalid WP multiplicities - AB3C2D4_mP40_14_e_8e_3e_12e:In-K-Na-O, expected K8Na3InO12 to be K3Na2InO4" +mp-504962,K2Na3InO4,-4.5309483162,-1.6582670813,0.0,-0.0059255467,GGA,Pnnm,AB2C3D4_oP40_58_g_eg_gh_2gh:In-K-Na-O,40.0,AB2C3D4_oP40_58_g_eg_gh_2gh:In-K-Na-O +mp-553903,KNa9In2O8,-4.5694669705,-1.6649667836000002,0.0127653503,0.0127653503,GGA,Pnma,A2BC9D8_oP80_62_2c_c_3c3d_4c2d:In-K-Na-O,80.0,"Invalid WP multiplicities - A2BC9D8_oP80_62_6c_c_12c20d_14c14d:In-K-Na-O, expected KNa52In6O42 to be KNa9In2O8" +mp-558917,LiMoIO6,-6.5147791567,-1.6361045351,0.0,-0.0043126262,GGA+U,P2_1,ABCD6_mP18_4_a_a_a_6a:I-Li-Mo-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_4_a_a_a_11a:I-Li-Mo-O, expected LiMoIO11 to be LiMoIO6" +mp-1213020,CsLaW2,-5.614923665,2.3219938193000003,2.3219938193000003,2.3219938193000003,GGA,I4/mmm,ABC2_tI8_139_a_b_d:Cs-La-W,4.0,ABC2_tI8_139_a_b_d:Cs-La-W +mp-1213173,CsLa(WO4)2,-8.603045705,-2.6596140694,0.0,-0.031888812,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cs-La-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cs-La-O-W +mp-1208082,VAs2Pb2O9,-6.9100987473,-1.8852676458,0.0105688357,0.0105688357,GGA+U,P2_1/c,A2B9C2D_mP56_14_2e_9e_2e_e:As-O-Pb-V,56.0,A2B9C2D_mP56_14_2e_9e_2e_e:As-O-Pb-V +mp-558773,LaWClO4,-8.4460906536,-2.7990293907,0.0240948865,0.0240948865,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cl-La-O-W,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_4c5d_c:Cl-La-O-W, expected LaWClO14 to be LaWClO4" +mp-23117,La3W(ClO2)3,-8.0571526923,-3.2116224006,0.0,-0.0406051781,GGA+U,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-W,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-W +mp-557592,CrAg(PS3)2,-5.461568456,-0.6484776872,0.0,-0.0394444575,GGA,P2/c,ABC2D6_mP20_13_e_e_g_3g:Ag-Cr-P-S,20.0,"Invalid WP multiplicities - ABC2D6_mP20_13_e_e_g_9g:Ag-Cr-P-S, expected CrAg(PS9)2 to be CrAg(PS3)2" +mp-1212668,GaAg(SO4)2,-6.21856639,-1.7429779359,0.0037052696,0.0037052696,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ag-Ga-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Ag-Ga-O-S +mp-1105293,GaAgO2,-5.4562444856,-1.5177371235,0.0678499219,0.0219800569,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ag-Ga-O,16.0,ABC2_oP16_33_a_a_2a:Ag-Ga-O +mp-1096976,GaAgO2,-5.4391087725,-1.5006014104,0.084985635,0.03911577,GGA,R3m,ABC2_hR12_160_a_a_2a:Ag-Ga-O,4.0,ABC2_hR12_160_a_a_2a:Ag-Ga-O +mp-1096971,GaAgO2,-5.5239833,-1.5854759379,0.0001111075,-0.0457587575,GGA,R-3m,ABC2_hR12_166_a_b_c:Ag-Ga-O,4.0,ABC2_hR12_166_a_b_c:Ag-Ga-O +mp-11020,GaAgO2,-5.5240944075,-1.5855870454,0.0,-0.045869865,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:Ag-Ga-O,8.0,ABC2_hP8_194_c_a_f:Ag-Ga-O +mp-542012,Rb4Hf3S14,-5.8156621098,-1.4488048947,0.0,-0.0281737069,GGA,C2/c,A3B4C14_mC84_15_ef_2f_7f:Hf-Rb-S,42.0,A3B4C14_mC84_15_ef_2f_7f:Hf-Rb-S +mp-1198468,Rb4HfS4O17,-6.5982582863,-2.1936877909,0.061123405,0.061123405,GGA,P2_12_12_1,AB17C4D4_oP104_19_a_17a_4a_4a:Hf-O-Rb-S,104.0,AB17C4D4_oP104_19_a_17a_4a_4a:Hf-O-Rb-S +mp-559228,Rb2HfS4,-5.6434300346,-1.5771362286,0.0,-0.0947329385,GGA,Pbca,AB2C4_oP56_61_c_2c_4c:Hf-Rb-S,56.0,"Invalid WP multiplicities - AB2C4_oP56_61_c_13c_24c:Hf-Rb-S, expected Rb13HfS24 to be Rb2HfS4" +mp-989536,Cs2LiNF6,-4.120557373,-1.7700477389,0.0021995992,0.0021995992,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-N,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Li-N +mp-1206673,CsLiN2,-3.8086143062,1.0607144659,1.4452709648,1.4452709648,GGA,C2/c,ABC2_mC16_15_e_e_f:Cs-Li-N,8.0,ABC2_mC16_15_e_e_f:Cs-Li-N +mp-1216623,TlSbWO6,-7.3931619789,-1.9342834362,0.0,-0.0072565032,GGA+U,Ima2,A6BCD_oI36_46_2b2c_a_b_b:O-Sb-Tl-W,18.0,"Invalid WP multiplicities - A6BCD_oI36_46_4b8c_a_b_b:O-Sb-Tl-W, expected TlSbWO20 to be TlSbWO6" +mp-2226132,MgVRhO4,-7.22425871,-1.8192231621,0.4248255668,0.4248255668,GGA+U,P2/m,AB4CD_mP7_10_b_mn_e_c:Mg-O-Rh-V,7.0,"Invalid WP multiplicities - AB4CD_mP7_10_c_m2n_d_b:Mg-O-Rh-V, expected MgVRhO6 to be MgVRhO4" +mp-2226547,MgVRhO4,-7.3063866443,-1.9013510964,0.3426976325,0.3426976325,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Rh-V,7.0,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Rh-V +mp-2224759,MgV2(RhO4)2,-7.5143089415,-1.8165998938,0.2457940721,0.2457940721,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Rh-V,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Rh-V +mp-2233786,MgV2(RhO4)2,-7.5341597238,-1.8364506762,0.2259432898,0.2259432898,GGA+U,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Rh-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_8_a_4a4b_2a_2a:Mg-O-Rh-V, expected MgV2(RhO6)2 to be MgV2(RhO4)2" +mp-1096389,MgVRh2,-4.203518215,2.14968225,2.5751979887000003,2.5751979887000003,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Rh-V,4.0,AB2C_oI8_71_a_e_b:Mg-Rh-V +mp-1185618,MgVRh2,-6.7691735525,-0.4159730875,0.0095426512,0.0095426512,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Rh-V,4.0,AB2C_cF16_225_a_c_b:Mg-Rh-V +mp-1100903,VRhO4,-7.806365395,-1.7672039308,0.0832594783,0.0832594783,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Rh-V,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gj_c_a:O-Rh-V, expected VRhO6 to be VRhO4" +mp-773064,VRhO4,-7.8458434817,-1.8066820175,0.0437813917,0.0437813917,GGA+U,I4_1md,A4BC_tI24_109_2b_a_a:O-Rh-V,12.0,"Invalid WP multiplicities - A4BC_tI24_109_8b_a_a:O-Rh-V, expected VRhO16 to be VRhO4" +mp-568759,NaNd4I7N2,-5.1260153532,-1.7416104015,0.0,-0.1032555775,GGA,Pna2_1,A7B2CD4_oP56_33_7a_2a_a_4a:I-N-Na-Nd,56.0,"Invalid WP multiplicities - A7B2CD4_oP56_33_27a_5a_a_12a:I-N-Na-Nd, expected NaNd12I27N5 to be NaNd4I7N2" +mp-642318,Ba2Tl(NO2)5,-6.5688088671,-1.1604780469,0.266670437,0.266670437,GGA,Pca2_1,A2B5C10D_oP72_29_2a_5a_10a_a:Ba-N-O-Tl,72.0,"Invalid WP multiplicities - A2B5C10D_oP72_29_5a_19a_37a_a:Ba-N-O-Tl, expected Ba5TlN19O37 to be Ba2Tl(NO2)5" +mp-644763,Zr4Fe2H2O,-7.4144202858,-0.4296440924,0.5536171309,0.5536171309,GGA+U,Fd-3m,A2B2CD4_cF144_227_e_e_c_df:Fe-H-O-Zr,36.0,A2B2CD4_cF144_227_e_e_c_df:Fe-H-O-Zr +mp-1215351,Zr6Fe2O,-8.4229992544,-0.2926731532,0.4910720864,0.4910720864,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Fe-O-Zr,9.0,A2BC6_mC18_12_i_a_3i:Fe-O-Zr +mp-740696,TeH18(Br3O4)2,-4.5806505600000005,-1.1532549729,0.0,-0.0027458458,GGA,P2_1/c,A6B18C8D_mP66_14_3e_9e_4e_a:Br-H-O-Te,66.0,A6B18C8D_mP66_14_3e_9e_4e_a:Br-H-O-Te +mp-1217500,Te3H9Br13O4,-3.7808312452,-1.0242596859,0.0111305501,0.0111305501,GGA,P1,A13B9C4D3_aP29_1_13a_9a_4a_3a:Br-H-O-Te,29.0,A13B9C4D3_aP29_1_13a_9a_4a_3a:Br-H-O-Te +mp-561187,NdGa3(BO3)4,-7.771257289,-2.7747439331,0.0142849611,0.0142849611,GGA,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Ga-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_155_a2d_e_b_2d3f:B-Ga-Nd-O, expected NdGa3B7O24 to be NdGa3(BO3)4" +mp-1209758,Nd2MnP2O,-5.8825748533,-0.1373075397,1.7485196866,1.7485196866,GGA+U,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Mn-Nd-O-P,6.0,AB2CD2_tP6_123_a_g_b_g:Mn-Nd-O-P +mp-19826,NdMnPO,-7.9450862162,-1.8725477306,0.1900017862,0.1900017862,GGA+U,P4/nmm,ABCD_tP8_129_a_c_b_c:Mn-Nd-O-P,8.0,ABCD_tP8_129_a_c_b_c:Mn-Nd-O-P +mp-1213641,GdZr6(PO4)9,-8.8561522658,-3.2376360699,0.0059802429,0.0059802429,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Gd-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Gd-O-P-Zr +mp-1217512,TbSi4B18C,-6.6997971812,-0.2084073651,0.0,-0.0388441237,GGA,C2/m,A18BC4D_mC96_12_2i8j_i_2ij_e:B-C-Si-Tb,48.0,"Invalid WP multiplicities - A18BC4D_mC96_12_4i22j_i_3i3j_e:B-C-Si-Tb, expected TbSi9B48C to be TbSi4B18C" +mp-1327980,Nb5P7O30,-8.4731654763,-2.8350629981,0.0263094354,0.0141389352,GGA,P1,A5B30C7_aP84_1_10a_60a_14a:Nb-O-P,84.0,A5B30C7_aP84_1_10a_60a_14a:Nb-O-P +mp-654301,Nb5P7O30,-8.4994749117,-2.8613724335,0.0,-0.0121705002,GGA,C2/c,A5B30C7_mC168_15_c2f_15f_e3f:Nb-O-P,84.0,"Invalid WP multiplicities - A5B30C7_mC168_15_a4f_57f_e11f:Nb-O-P, expected Nb9P23O114 to be Nb5P7O30" +mp-33528,NbP2O7,-8.2913779415,-2.7359048383,0.0277469513,0.0277469513,GGA,Pa-3,AB7C2_cP40_205_a_bd_c:Nb-O-P,40.0,"Invalid WP multiplicities - AB7C2_cP40_205_a_4b4d_c:Nb-O-P, expected Nb(PO14)2 to be NbP2O7" +mp-1210146,Nb9P2O25,-8.938380265,-2.6771144829,0.2848821842,0.2848821842,GGA,I4/m,A9B25C2_tI72_87_a2h_b6h_d:Nb-O-P,36.0,A9B25C2_tI72_87_a2h_b6h_d:Nb-O-P +mp-756631,Nb2P2O9,-8.5911383165,-2.7796449708,0.0914104571,0.0914104571,GGA,Cmce,A2B9C2_oC52_64_f_a2fg_f:Nb-O-P,26.0,"Invalid WP multiplicities - A2B9C2_oC52_64_f_2a4f2g_f:Nb-O-P, expected NbPO9 to be Nb2P2O9" +mp-1173424,NbPO5,-7.7922333271,-2.042511741,0.8882677075000001,0.8455020811,GGA,P2/c,AB5C_mP14_13_e_e2g_f:Nb-O-P,14.0,"Invalid WP multiplicities - AB5C_mP14_13_e_2e7g_f:Nb-O-P, expected NbPO16 to be NbPO5" +mp-542453,NbPO5,-8.679735395,-2.9300138089,0.0007656396,-0.0419999867,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Nb-O-P,56.0,AB5C_mP56_14_2e_10e_2e:Nb-O-P +mp-556918,NbPO5,-8.6798480075,-2.9301264214,0.0006530271,-0.0421125992,GGA,Pna2_1,AB5C_oP28_33_a_5a_a:Nb-O-P,28.0,"Invalid WP multiplicities - AB5C_oP28_33_a_19a_a:Nb-O-P, expected NbPO19 to be NbPO5" +mp-5803,NbPO5,-8.6805010346,-2.9307794485,0.0,-0.0427656264,GGA,Pnma,AB5C_oP28_62_c_a2cd_c:Nb-O-P,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_a2c2d_c:Nb-O-P, expected NbPO7 to be NbPO5" +mp-772125,NbPO5,-8.6590205882,-2.9092990021,0.0214804464,-0.0212851799,GGA,Pnma,AB5C_oP28_62_c_3cd_c:Nb-O-P,28.0,"Invalid WP multiplicities - AB5C_oP28_62_c_9c4d_c:Nb-O-P, expected NbPO17 to be NbPO5" +mp-1104131,NbPO5,-8.65662201,-2.9069004239,0.0238790246,-0.0188866017,GGA,P4/n,AB5C_tP14_85_c_cg_a:Nb-O-P,14.0,AB5C_tP14_85_c_cg_a:Nb-O-P +mp-4888,NbPO5,-8.6579329486,-2.9082113624,0.0225680861,-0.0201975403,GGA,P4/nmm,AB5C_tP14_129_c_ci_a:Nb-O-P,14.0,"Invalid WP multiplicities - AB5C_tP14_129_c_c2i_a:Nb-O-P, expected NbPO9 to be NbPO5" +mp-504946,Nb2P4O15,-8.2941077883,-2.7676244181,0.0094272734,0.0094272734,GGA,P1,A2B15C4_aP42_1_4a_30a_8a:Nb-O-P,42.0,A2B15C4_aP42_1_4a_30a_8a:Nb-O-P +mp-556760,Nb2P4O15,-8.2940734179,-2.7675900476,0.0094616439,0.0094616439,GGA,P-1,A2B15C4_aP42_2_2i_bd14i_4i:Nb-O-P,42.0,"Invalid WP multiplicities - A2B15C4_aP42_2_2i_bd25i_8i:Nb-O-P, expected NbP4O13 to be Nb2P4O15" +mp-1215232,ZrNbCN,-10.147419595,-1.0938780731,0.0858029934,0.0858029934,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Nb-Zr,4.0,ABCD_hR12_160_a_a_a_a:C-N-Nb-Zr +mp-1216301,Y9(Si5Os)4,-7.0133014047,-0.6007538186,0.0133221591,0.0133221591,GGA,P2_1/c,A4B20C9_mP66_14_2e_10e_a4e:Os-Si-Y,66.0,A4B20C9_mP66_14_2e_10e_a4e:Os-Si-Y +mp-1207812,Y12(OsC3)5,-8.85058078,-0.345441002,0.0,-0.0024468995,GGA,P-62m,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Y,32.0,A15B5C12_hP32_189_3fk_df_2gj:C-Os-Y +mp-1207742,Y2OsC2,-8.9010246985,-0.3774965702,0.0,-0.0433331858,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:C-Os-Y,20.0,A2BC2_oP20_62_2c_c_2c:C-Os-Y +mp-17532,Y3(Si3Os)4,-7.3303843495,-0.5191896432,0.0160693995,0.0160693995,GGA,Cmce,A4B12C3_oC76_64_df_df2g_ae:Os-Si-Y,38.0,"Invalid WP multiplicities - A4B12C3_oC76_64_df_df3g_ae:Os-Si-Y, expected Y3(Si4Os)4 to be Y3(Si3Os)4" +mp-1205527,YSiOs2C,-9.225102824,-0.5100649248,0.0,-0.0537958376,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-Si-Y +mp-567749,Y(SiOs)2,-8.678158296,-0.7237898893,0.0,-0.2459069713,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Os-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Os-Si-Y +mp-14686,Y5(Si7Os2)2,-7.2577275454,-0.5970198191,0.0,-0.0261011698,GGA,P2_1/c,A4B14C5_mP46_14_2e_7e_a2e:Os-Si-Y,46.0,"Invalid WP multiplicities - A4B14C5_mP46_14_2e_8e_a2e:Os-Si-Y, expected Y5(Si4Os)4 to be Y5(Si7Os2)2" +mp-554562,Ti2Cu9(B3O11)2,-7.1935506036,-2.0246442873,0.0394342308,0.0394342308,GGA,P-1,A6B9C22D2_aP78_2_6i_9i_22i_2i:B-Cu-O-Ti,78.0,"Invalid WP multiplicities - A6B9C22D2_aP78_2_11i_17i_41i_3i:B-Cu-O-Ti, expected Ti3Cu17B11O41 to be Ti2Cu9(B3O11)2" +mp-1204879,Sr4V2(Se2O7)3,-6.664856832,-2.1260169,0.0038514372,0.0038514372,GGA+U,Fdd2,A21B6C4D2_oF264_43_a10b_3b_2b_b:O-Se-Sr-V,66.0,A21B6C4D2_oF264_43_a10b_3b_2b_b:O-Se-Sr-V +mp-1199170,Sr2V2Se3O13,-6.9808138265,-2.1637394902,0.0,-0.005265763,GGA+U,P2_1/c,A13B3C2D2_mP80_14_13e_3e_2e_2e:O-Se-Sr-V,80.0,A13B3C2D2_mP80_14_13e_3e_2e_2e:O-Se-Sr-V +mp-1197632,Sr2V3Se5O18,-6.9225960215,-2.0243581891,0.0,-0.0018379225,GGA+U,Pnma,A18B5C2D3_oP112_62_2c8d_c2d_2c_cd:O-Se-Sr-V,112.0,A18B5C2D3_oP112_62_2c8d_c2d_2c_cd:O-Se-Sr-V +mp-554616,SiNi2(P2O7)2,-7.6438641502,-2.5061287515,0.0022430719,0.0022430719,GGA+U,C2/c,A2B14C4D_mC84_15_f_7f_2f_e:Ni-O-P-Si,42.0,"Invalid WP multiplicities - A2B14C4D_mC84_15_f_26f_8f_e:Ni-O-P-Si, expected SiNi2(P4O13)4 to be SiNi2(P2O7)2" +mp-1196988,K5Li2PrF10,-5.1832163614,-3.3351310337,0.0,-0.0015130178,GGA,Pnma,A10B5C2D_oP72_62_6c2d_c2d_2c_c:F-K-Li-Pr,72.0,A10B5C2D_oP72_62_6c2d_c2d_2c_c:F-K-Li-Pr +mp-1225732,Er2VFeO6,-8.712860383,-3.0759106663,0.0268573039,0.0268573039,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Er-Fe-O-V,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_b:Er-Fe-O-V, expected Er2VFeO10 to be Er2VFeO6" +mp-1112020,K2InAsI6,-2.8266675020000003,-0.9794876891,0.1004301397,0.1004301397,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:As-I-In-K,10.0,AB6CD2_cF40_225_a_e_b_c:As-I-In-K +mp-989625,SrWN3,-8.788762037,-0.8573403453,0.0,-0.1277791462,GGA,P1,A3BC_aP10_1_6a_2a_2a:N-Sr-W,10.0,A3BC_aP10_1_6a_2a_2a:N-Sr-W +mp-989513,SrWN3,-8.785319286,-0.8538975943,0.003442751,-0.1243363952,GGA,C2/m,A3BC_mC20_12_3i_i_i:N-Sr-W,10.0,"Invalid WP multiplicities - A3BC_mC20_12_4i_i_i:N-Sr-W, expected SrWN4 to be SrWN3" +mp-1245954,Sr3W3N5,-8.4480810223,-0.6639586882,0.1390783136,0.1390783136,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-W,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-W +mp-1187144,Sr3W,-3.428361395,1.0782912525,1.0782912525,1.0782912525,GGA,Fm-3m,A3B_cF16_225_ac_b:Sr-W,4.0,A3B_cF16_225_ac_b:Sr-W +mp-567568,SrCa2WN4,-7.7332910639,-1.232690671,0.0,-0.330986375,GGA,Pbca,A2B4CD_oP64_61_2c_4c_c_c:Ca-N-Sr-W,64.0,"Invalid WP multiplicities - A2B4CD_oP64_61_5c_27c_c_c:Ca-N-Sr-W, expected SrCa5WN27 to be SrCa2WN4" +mp-1029655,Sr3WN3,-7.1017770321,-0.9537634086,0.0,-0.2373661547,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-W,14.0,A3B3C_hP14_176_h_h_c:N-Sr-W +mp-1245893,Sr3(WN2)2,-7.7102523339,-0.5623944983,0.2992583283,0.2992583283,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Sr-W,18.0,A4B3C2_mC36_15_2f_ef_f:N-Sr-W +mp-1245880,Sr3(WN2)2,-7.8582987136,-0.7104408781,0.1512119486,0.1512119486,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-W,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-W +mp-1207768,TmI3O11,-5.246715066,-1.0260810462,0.2646467512,0.2646467512,GGA,P-1,A3B11C_aP30_2_3i_11i_i:I-O-Tm,30.0,A3B11C_aP30_2_3i_11i_i:I-O-Tm +mp-27439,TmIO,-6.75391854,-3.1219550451,0.0,-0.1101937492,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-O-Tm,6.0,ABC_tP6_129_c_a_c:I-O-Tm +mp-1208098,Tm(IO3)3,-5.5982346027,-1.4893013046,0.0,-0.07867904,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Tm,52.0,A3B9C_mP52_14_3e_9e_e:I-O-Tm +mp-552738,TmBi2IO4,-6.5339895438,-2.356872684,0.0,-0.0307397694,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Tm,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-I-O-Tm +mp-1207943,Tm2I2O,-4.656367154,-1.2873487024,1.0283802014,1.0283802014,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-Tm,5.0,A2BC2_tP5_123_g_a_g:I-O-Tm +mp-554280,RbTh2(PO4)3,-8.4380636647,-3.3598179632000003,0.0,-0.0452948627,GGA,C2/c,A12B3CD2_mC72_15_6f_ef_e_f:O-P-Rb-Th,36.0,"Invalid WP multiplicities - A12B3CD2_mC72_15_20f_2e3f_e_f:O-P-Rb-Th, expected RbTh2(PO5)8 to be RbTh2(PO4)3" +mp-13346,CsUAgS3,-5.9645943775,-1.3931413798,0.0,-0.1455819469,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ag-Cs-S-U,12.0,"Invalid WP multiplicities - ABC3D_oC24_63_c_c_c2f_a:Ag-Cs-S-U, expected CsUAgS5 to be CsUAgS3" +mp-6573,CoAg3(CN)6,-7.3280774281,0.2342318412,0.2434671838,0.2434671838,GGA,P-31m,A3B6CD6_hP16_162_f_k_b_k:Ag-C-Co-N,16.0,A3B6CD6_hP16_162_f_k_b_k:Ag-C-Co-N +mp-1213396,KGaGeO4,-6.3335015561,-2.2551761747,0.0,-0.0553967429,GGA,P6_3,ABCD4_hP168_173_4c_4c_a2b3c_16c:Ga-Ge-K-O,168.0,ABCD4_hP168_173_4c_4c_a2b3c_16c:Ga-Ge-K-O +mp-1223555,KGaGe3O8,-6.6181744165000005,-2.1888599377,0.0,-0.0046264784,GGA,P-1,AB3CD8_aP26_2_i_3i_i_8i:Ga-Ge-K-O,26.0,"Invalid WP multiplicities - AB3CD8_aP26_2_i_5i_i_14i:Ga-Ge-K-O, expected KGaGe5O14 to be KGaGe3O8" +mp-6257,CsNb(BO3)2,-8.303479497,-2.8999171749,0.0,-0.0175082295,GGA,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:B-Cs-Nb-O,20.0,A2BCD6_oP20_31_b_a_a_2a2b:B-Cs-Nb-O +mp-1212505,K2Sr(Ge4O9)2,-6.7320965937,-2.2515824216,0.0103205504,0.0103205504,GGA,P-3c1,A8B2C18D_hP174_165_ab2d3g_g_9g_f:Ge-K-O-Sr,174.0,A8B2C18D_hP174_165_ab2d3g_g_9g_f:Ge-K-O-Sr +mp-1233984,CaTb4(PO4)4,-8.183798212,-3.3300664645,0.1370249581,0.1370249581,GGA,P1,AB16C4D4_aP25_1_a_16a_4a_4a:Ca-O-P-Tb,25.0,AB16C4D4_aP25_1_a_16a_4a_4a:Ca-O-P-Tb +mp-1207451,ZnCu2(BO3)2,-6.6798068511,-1.9073456912,0.0728528487,0.0728528487,GGA,P2_1/c,A2B2C6D_mP44_14_2e_2e_6e_e:B-Cu-O-Zn,44.0,A2B2C6D_mP44_14_2e_2e_6e_e:B-Cu-O-Zn +mp-1223456,KCoCuS2,-4.85586964,-0.7377050109000001,0.1087033077,0.1087033077,GGA,I-4m2,ABCD2_tI10_119_a_b_c_f:Co-Cu-K-S,5.0,ABCD2_tI10_119_a_b_c_f:Co-Cu-K-S +mp-12079,K(CoS)2,-5.547834922,-0.8278480679,0.0,-0.0043863179,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-K-S,5.0,A2BC2_tI10_139_d_a_e:Co-K-S +mp-5131,K2CoS2,-4.497737779,-0.9773346944,0.0505639197,0.0505639197,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-K-S,10.0,AB2C2_oI20_72_a_j_j:Co-K-S +mp-21946,K9Co2S7,-3.9543491349,-1.0007171804,0.1093849808,0.1093849808,GGA,Pa-3,A2B9C7_cP72_205_c_acd_bd:Co-K-S,72.0,"Invalid WP multiplicities - A2B9C7_cP72_205_c_4a6c9d_4b5d:Co-K-S, expected K35CoS17 to be K9Co2S7" +mp-14794,K6CoS4,-3.862386215,-1.1063397655,0.0278076208,0.0278076208,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Co-K-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_5c_bc:Co-K-S, expected K15CoS4 to be K6CoS4" +mp-1211185,Li3Ce2(BO3)3,-7.8773004503,-3.0448698254,0.0183557973,0.0183557973,GGA,P2_1/c,A3B2C3D9_mP68_14_3e_2e_3e_9e:B-Ce-Li-O,68.0,A3B2C3D9_mP68_14_3e_2e_3e_9e:B-Ce-Li-O +mp-1214599,Ba2MoO3F4,-6.985426886,-3.2684686866,0.0001322511,0.0001322511,GGA+U,Cc,A2B4CD3_mC40_9_2a_4a_a_3a:Ba-F-Mo-O,20.0,A2B4CD3_mC40_9_2a_4a_a_3a:Ba-F-Mo-O +mp-1202067,Ba4Mo2O6F13,-6.0423453362,-2.6864829832,0.2955488942,0.2955488942,GGA+U,Pnnm,A4B13C2D6_oP100_58_2gh_3g5h_h_2g2h:Ba-F-Mo-O,100.0,A4B13C2D6_oP100_58_2gh_3g5h_h_2g2h:Ba-F-Mo-O +mp-1216108,Y4CdS7,-6.7254410983,-2.0801141582,0.0501167758,0.0501167758,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cd-S-Y,12.0,AB7C4_mC24_8_a_7a_4a:Cd-S-Y +mp-1215973,Yb4CdS7,-4.7348293642,-1.7317900352,0.1211997704,0.1211997704,GGA,Cm,AB7C4_mC24_8_a_7a_4a:Cd-S-Yb,,AB7C4_mC24_8_a_7a_4a:Cd-S-Yb +mp-35785,Y2CdS4,-6.2977430207000005,-1.954652813,0.0,-0.004955495,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-S-Y,14.0,AB4C2_cF56_227_a_e_d:Cd-S-Y +mp-1187521,YbYCd2,-2.833177785,-0.3702130567,0.0056737725,0.0056737725,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Y-Yb,,A2BC_cF16_225_c_a_b:Cd-Y-Yb +mp-1215620,YbYCdS4,-5.2954024636,-1.6561498035,0.1784465093,0.1784465093,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cd-S-Y-Yb,,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cd-S-Y-Yb, expected YbYCdS8 to be YbYCdS4" +mp-2959,Yb2CdS4,-4.2684677957,-1.3330526832,0.3814871293,0.3814871293,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Cd-S-Yb,,AB4C2_cF56_227_a_e_d:Cd-S-Yb +mp-675293,Yb(YS2)2,-6.8265897586,-2.3953969051,0.0156372979,0.0156372979,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Y-Yb,,A4B2C_tI28_122_e_d_a:S-Y-Yb +mp-29556,Tl2WCl6,-4.5362548389,-1.3390730074,0.0,-0.0178200439,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Tl-W,9.0,A6B2C_cF36_225_e_c_a:Cl-Tl-W +mp-865762,TlW2(Cl3O)2,-5.9750927145,-1.4965926246,0.0458354559,0.0458354559,GGA+U,C2/m,A6B2CD2_mC22_12_3i_i_a_i:Cl-O-Tl-W,11.0,"Invalid WP multiplicities - A6B2CD2_mC22_12_5i_i_a_i:Cl-O-Tl-W, expected TlW2(Cl5O)2 to be TlW2(Cl3O)2" +mp-1198084,Ca2S2O9,-6.6643252067,-2.2947638301,0.1697979273,0.1697979273,GGA,C2,A2B9C2_mC78_5_ab2c_a13c_3c:Ca-O-S,39.0,A2B9C2_mC78_5_ab2c_a13c_3c:Ca-O-S +mp-1201805,Ca2S2O9,-6.6644199731,-2.2948585965,0.1697031609,0.1697031609,GGA,P3_1,A2B9C2_hP39_144_2a_9a_2a:Ca-O-S,39.0,A2B9C2_hP39_144_2a_9a_2a:Ca-O-S +mp-1196095,Ca2S2O9,-6.6647711,-2.2952097235,0.1693520339,0.1693520339,GGA,P3_2,A2B9C2_hP39_145_2a_9a_2a:Ca-O-S,39.0,A2B9C2_hP39_145_2a_9a_2a:Ca-O-S +mp-1214199,Ca2S2O9,-6.6626630436,-2.2931016671,0.1714600904,0.1714600904,GGA,P3_121,A2B9C2_hP39_152_ab_a4c_c:Ca-O-S,39.0,A2B9C2_hP39_152_ab_a4c_c:Ca-O-S +mp-1019581,CaS3O10,-6.6510648827,-2.0880765546,0.0,-0.0418681135,GGA,P2_1/c,AB10C3_mP56_14_e_10e_3e:Ca-O-S,56.0,AB10C3_mP56_14_e_10e_3e:Ca-O-S +mp-1181921,CaSO6,-5.6818488219,-1.2040760701,0.7983803578,0.7983803578,GGA,C2/m,AB6C_mC32_12_g_2g2j_h:Ca-O-S,16.0,AB6C_mC32_12_g_2g2j_h:Ca-O-S +mp-1190485,CaSO6,-5.0459711369,-0.5681983851,1.4342580428,1.4342580428,GGA,C2/m,AB6C_mC32_12_g_2g2j_h:Ca-O-S,16.0,AB6C_mC32_12_g_2g2j_h:Ca-O-S +mp-1182616,CaSO6,-6.1664930031,-1.6887202513,0.3137361766,0.3137361766,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Ca-O-S,32.0,AB6C_mC32_15_e_3f_e:Ca-O-S +mp-1197885,CaSO6,-6.1808389059,-1.7030661541,0.2993902738,0.2993902738,GGA,P2_1/c,AB6C_mP32_14_e_6e_e:Ca-O-S,32.0,"Invalid WP multiplicities - AB6C_mC32_15_e_6f_e:Ca-O-S, expected CaSO12 to be CaSO6" +mp-1106035,CaSO6,-5.9805290662,-1.5027563145,0.4997001134,0.4997001134,GGA,C2/c,AB6C_mC32_15_e_3f_e:Ca-O-S,16.0,AB6C_mC32_15_e_3f_e:Ca-O-S +mp-1189751,CaSO6,-6.1180199406,-1.6402471888,0.3622092391,0.3622092391,GGA,C2/c,AB6C_mC32_15_e_3f_e:Ca-O-S,16.0,AB6C_mC32_15_e_3f_e:Ca-O-S +mp-1214392,Ca(SO5)2,-5.8360236251,-1.2402246462,0.5002647072,0.5002647072,GGA,P6_2,AB10C2_hP39_171_a_5c_c:Ca-O-S,39.0,AB10C2_hP39_171_a_5c_c:Ca-O-S +mp-726207,Ca(SO5)2,-5.8341242079,-1.238325229,0.5021641244,0.5021641244,GGA,P6_4,AB10C2_hP39_172_a_5c_c:Ca-O-S,39.0,AB10C2_hP39_172_a_5c_c:Ca-O-S +mp-12372,CaSO4,-6.9656581129,-2.6441906809,0.0257512229,-0.2853187964,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-O-S,24.0,AB4C_mP24_14_e_4e_e:Ca-O-S +mp-562260,CaSO4,-6.9350993208,-2.6136318889,0.056310015,-0.2547600043,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ca-O-S,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_7c6d_c:Ca-O-S, expected CaSO19 to be CaSO4" +mp-4406,CaSO4,-6.9914093358,-2.6699419039,0.0,-0.3110700193,GGA,Cmcm,AB4C_oC24_63_c_fg_c:Ca-O-S,12.0,AB4C_oC24_63_c_fg_c:Ca-O-S +mp-3082,CaSO4,-6.988647675,-2.667180243,0.0027616608,-0.3083083585,GGA,P6_222,AB4C_hP18_180_c_k_d:Ca-O-S,18.0,AB4C_hP18_180_c_k_d:Ca-O-S +mp-556372,CaSO4,-6.9885155506,-2.6670481186,0.0028937853,-0.308176234,GGA,P6_422,AB4C_hP18_181_c_k_d:Ca-O-S,18.0,AB4C_hP18_181_c_k_d:Ca-O-S +mp-558752,Rb2Ca2(SO4)3,-6.626457092,-2.5347790898,0.0,-0.0136866438,GGA,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Ca-O-Rb-S,76.0,"Invalid WP multiplicities - A2B12C2D3_cP76_198_5a_34b_6a_b:Ca-O-Rb-S, expected Rb6Ca5(SO34)3 to be Rb2Ca2(SO4)3" +mp-1198348,Ca2S2O7,-6.531778348,-2.2671492141,0.3905195378,0.3905195378,GGA,Pbcn,A2B7C2_oP44_60_d_c3d_d:Ca-O-S,44.0,A2B7C2_oP44_60_d_c3d_d:Ca-O-S +mp-561369,K3Bi2(AsO4)3,-6.1684726205,-1.9509828779,0.0,-0.0422132404,GGA,C2/c,A3B2C3D12_mC80_15_ef_f_a2e_6f:As-Bi-K-O,40.0,"Invalid WP multiplicities - A3B2C3D12_mC80_15_2e2f_f_2a3e_19f:As-Bi-K-O, expected K5Bi2(As3O19)2 to be K3Bi2(AsO4)3" +mp-567022,K3Bi5(AsO4)6,-6.3153120109,-1.8624466954,0.0052823376,0.0052823376,GGA,C2/c,A6B5C3D24_mC152_15_3f_e2f_ef_12f:As-Bi-K-O,76.0,"Invalid WP multiplicities - A6B5C3D24_mC152_15_9f_2e6f_2e2f_46f:As-Bi-K-O, expected K3Bi7As9O46 to be K3Bi5(AsO4)6" +mp-1375228,Zn2IrWO6,-7.0035343385,-1.6039159488,0.1786852414,0.1786852414,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ir-O-W-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_14_a_10e_d_e:Ir-O-W-Zn, expected Zn2IrWO20 to be Zn2IrWO6" +mp-862670,Sr3Co(CN)3,-7.2059852865,-0.7187573457,0.0,-0.0886041306,GGA,P6_3/m,A3BC3D3_hP20_176_h_c_h_h:C-Co-N-Sr,20.0,A3BC3D3_hP20_176_h_c_h_h:C-Co-N-Sr +mp-721246,Sr6CoC2N7,-6.7369950244,-0.8583654009,0.0,-0.0049688561,GGA,P2_12_12,A2BC7D6_oP32_18_c_a_b3c_3c:C-Co-N-Sr,32.0,A2BC7D6_oP32_18_c_a_b3c_3c:C-Co-N-Sr +mp-1228411,Ba5Li2U3O15,-8.2495583644,-3.3900671191,0.0,-0.0401840181,GGA,I4/m,A5B2C15D3_tI100_87_di_h_e5hi_abh:Ba-Li-O-U,50.0,"Invalid WP multiplicities - A5B2C15D3_tI100_87_2d2i_h_2e20h4i_ab2h:Ba-Li-O-U, expected Ba10Li2U5O58 to be Ba5Li2U3O15" +mp-1214701,Ba2LiUO6,-7.8104719915,-3.1386304891,0.0199729981,0.0199729981,GGA,Pnnm,A2BC6D_oP20_58_g_a_gh_c:Ba-Li-O-U,20.0,A2BC6D_oP20_58_g_a_gh_c:Ba-Li-O-U +mp-20728,GdNi2B2C,-8.5351077233,-0.4978002843,0.0,-0.0401337417,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Gd-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Gd-Ni +mp-1065668,GdNiC2,-9.8837564375,-0.3053589613,0.0,-0.0758690266,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Gd-Ni,4.0,A2BC_oC8_38_d_b_a:C-Gd-Ni +mp-866397,Gd4Ni13C4,-8.3394885957,-0.322301559,0.0,-0.013718069,GGA,Cmmm,A4B4C13_oC42_65_eg_hj_afj2p:C-Gd-Ni,21.0,A4B4C13_oC42_65_eg_hj_afj2p:C-Gd-Ni +mp-562302,KEuSiS4,-6.3004530036,-1.5378075401,0.0,-0.0723493275,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:Eu-K-S-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_8a_a:Eu-K-S-Si, expected KEuSiS8 to be KEuSiS4" +mp-1194714,SrTh(PS4)2,-5.8116999594,-1.3932369884,0.0,-0.0252611381,GGA,P4_2/mbc,A2B8CD_tP48_135_h_2hi_d_b:P-S-Sr-Th,48.0,A2B8CD_tP48_135_h_2hi_d_b:P-S-Sr-Th +mp-40160,Ba10Ta10(N3O7)3,-9.0546055594,-2.7210767002000003,0.0163509903,0.0163509903,GGA,Pmmm,A10B9C21D10_oP50_47_gh4l_ai3j_b3i2j5k_5i:Ba-N-O-Ta,50.0,"Invalid WP multiplicities - A10B9C21D10_oP50_47_gh8l_ai5j_b6i4j7k_8i:Ba-N-O-Ta, expected Ba18Ta16N13O35 to be Ba10Ta10(N3O7)3" +mp-1227303,BaTaNO2,-9.035738398,-2.6344134145,0.0323836976,0.0323836976,GGA,P4/mmm,ABC2D_tP5_123_c_a_e_b:Ba-N-O-Ta,5.0,ABC2D_tP5_123_c_a_e_b:Ba-N-O-Ta +mp-2646936,CsSbSI2,-3.3901270008,-0.968609765,0.1200731167,0.1200731167,GGA,P2_1/m,AB2CD_mP40_11_4e_abc3ef_def_2f:Cs-I-S-Sb,40.0,AB2CD_mP40_11_4e_abc3ef_def_2f:Cs-I-S-Sb +mp-2646919,CsSbSI2,-3.400053998,-0.9785367622,0.1101461195,0.1101461195,GGA,P222_1,AB2CD_oP20_17_ab_ac2d_bc_e:Cs-I-S-Sb,20.0,AB2CD_oP20_17_ab_ac2d_bc_e:Cs-I-S-Sb +mp-2647049,CsSbSI2,-3.3917098755,-0.9701926397,0.118490242,0.118490242,GGA,Pmma,AB2CD_oP20_51_2f_aej_ce_i:Cs-I-S-Sb,20.0,AB2CD_oP20_51_2f_aej_ce_i:Cs-I-S-Sb +mp-2646928,CsSbSI2,-3.3758258855,-0.9543086497,0.134374232,0.134374232,GGA,Cccm,AB2CD_oC40_66_g_ceh_df_l:Cs-I-S-Sb,40.0,AB2CD_oC40_66_g_ceh_df_l:Cs-I-S-Sb +mp-2646926,CsSbSI2,-3.3886211078,-0.967103872,0.1215790097,0.1215790097,GGA,Cmme,AB2CD_oC40_67_ef_cgl_dg_m:Cs-I-S-Sb,40.0,AB2CD_oC40_67_ef_cgl_dg_m:Cs-I-S-Sb +mp-2647159,CsSbSI2,-3.3755416502,-0.9540244145,0.1346584672,0.1346584672,GGA,P4_222,AB2CD_tP40_93_efi_jkln_mo_p:Cs-I-S-Sb,40.0,AB2CD_tP40_93_efi_jkln_mo_p:Cs-I-S-Sb +mp-2646986,CsSbSI2,-3.338961392,-0.9174441562,0.1712387255,0.1712387255,GGA,P4/mmm,AB2CD_tP5_123_c_e_a_b:Cs-I-S-Sb,5.0,AB2CD_tP5_123_c_e_a_b:Cs-I-S-Sb +mp-1218070,Ta6Cr(CS2)3,-9.3939707175,-1.0624451595,0.0044858575,0.0044858575,GGA,C2/m,A3BC6D6_mC32_12_ag_d_ij_ij:C-Cr-S-Ta,16.0,"Invalid WP multiplicities - A3BC6D6_mC32_12_ag_c_2i2j_2i2j:C-Cr-S-Ta, expected Ta12Cr(CS4)3 to be Ta6Cr(CS2)3" +mp-1213659,Eu3VGeO9,-9.1813843557,-2.8243745181,0.0064211836,0.0064211836,GGA+U,P2_1/c,A3BC9D_mP56_14_3e_e_9e_e:Eu-Ge-O-V,56.0,A3BC9D_mP56_14_3e_e_9e_e:Eu-Ge-O-V +mp-557135,VAgSeO5,-6.5665242341,-1.5482970957000002,0.0,-0.0177569171,GGA+U,Pbcm,AB5CD_oP32_57_d_c2de_d_d:Ag-O-Se-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_57_d_3c8d6e_d_d:Ag-O-Se-V, expected VAgSeO23 to be VAgSeO5" +mp-1020706,SrY2Si3O10,-8.6159119109,-3.5930821058,0.012435646,0.012435646,GGA,P-1,A10B3CD2_aP32_2_10i_3i_i_2i:O-Si-Sr-Y,32.0,A10B3CD2_aP32_2_10i_3i_i_2i:O-Si-Sr-Y +mp-1205944,Sr2TaVO6,-8.674390652,-3.2743103646,0.0,-0.0696671502,GGA+U,I4/m,A6B2CD_tI20_87_eh_d_a_b:O-Sr-Ta-V,20.0,A6B2CD_tI20_87_eh_d_a_b:O-Sr-Ta-V +mp-1218702,Sr2TaVO6,-8.6658511085,-3.2657708211,0.0085395435,-0.0611276067,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Ta-V,20.0,"Invalid WP multiplicities - A6B2CD_tI20_139_e2h_d_a_b:O-Sr-Ta-V, expected Sr2TaVO10 to be Sr2TaVO6" +mp-1254576,AlNi(WO4)2,-8.5004275187,-2.2491372971,0.0431155917,0.0431155917,GGA+U,P1,ABC8D2_aP24_1_2a_2a_16a_4a:Al-Ni-O-W,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_14i_4i:Al-Ni-O-W, expected AlNi(W2O7)2 to be AlNi(WO4)2" +mp-1047448,AlNi(WO4)2,-8.3180943375,-2.0668041158,0.2254487729,0.2254487729,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Al-Ni-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Al-Ni-O-W, expected AlNi(WO8)2 to be AlNi(WO4)2" +mp-1342585,AlNi(WO4)2,-8.3728549242,-2.1215647025,0.1706881863,0.1706881863,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Ni-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Ni-O-W +mp-1211882,KO4F,-4.5381442202,-0.7367054270000001,0.2419347473,0.2419347473,GGA,Pbca,ABC4_oP48_61_c_c_4c:F-K-O,48.0,ABC4_oP48_61_c_c_4c:F-K-O +mp-1080550,KO2F,-3.7945717775,-0.5657579432000001,0.9022023181,0.9022023181,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:F-K-O,8.0,ABC2_oP8_26_a_b_ab:F-K-O +mp-29515,PH2F3,-4.8382182442,-1.8493529943,0.0,-0.0490344801,GGA,Cmc2_1,A3B2C_oC24_36_3a_b_a:F-H-P,12.0,"Invalid WP multiplicities - A3B2C_oC24_36_5a_b_a:F-H-P, expected PH2F5 to be PH2F3" +mp-24064,PHF2,-4.8722083544,-1.7149617327,0.1147774695,0.1147774695,GGA,P2_12_12_1,A2BC_oP16_19_2a_a_a:F-H-P,16.0,A2BC_oP16_19_2a_a_a:F-H-P +mp-696588,PH3,-3.8685714069,0.0292987535,0.0292987535,0.0292987535,GGA,P1,A3B_aP16_1_12a_4a:H-P,16.0,A3B_aP16_1_12a_4a:H-P +mp-29514,PHF4,-5.1424154225,-2.4004246856,0.0,-0.0147061962,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:F-H-P,24.0,A4BC_mP24_14_4e_e_e:F-H-P +mp-1186360,P3H,-4.1256975875,0.7824608038,0.7824608038,0.7824608038,GGA,Fm-3m,AB3_cF16_225_a_bc:H-P,4.0,AB3_cF16_225_a_bc:H-P +mp-560997,KVF4,-6.2029821648,-3.229612017,0.0,-0.0461701728,GGA+U,Pnma,A4BC_oP48_62_2c3d_2c_d:F-K-V,48.0,A4BC_oP48_62_2c3d_2c_d:F-K-V +mp-557257,KVF3,-6.230437906,-3.0446895221,0.0,-0.0695438388,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-K-V,5.0,A3BC_cP5_221_c_a_b:F-K-V +mp-1112253,K2VAuF6,-5.108668101,-2.5039221241,0.2402877979,0.2402877979,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-V,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-V +mp-1111308,K3VF6,-5.443344916,-3.0549472444,0.0571881749,0.0571881749,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-V,10.0,A6B3C_cF40_225_e_ac_b:F-K-V +mp-21564,K5V3F14,-5.8768747464,-3.1694011786,0.0068123848,0.0068123848,GGA+U,P4/mnc,A14B5C3_tP44_128_ehi_ag_bc:F-K-V,44.0,A14B5C3_tP44_128_ehi_ag_bc:F-K-V +mp-1203095,SmB7IO15,-7.6289765726,-2.3311421747,0.2794096368,0.2794096368,GGA,P2_1/c,A7BC15D_mP96_14_7e_e_15e_e:B-I-O-Sm,96.0,A7BC15D_mP96_14_7e_e_15e_e:B-I-O-Sm +mp-1147640,KIO2,-4.210456205,-1.0911705251,0.3437546769,0.3437546769,GGA,P4/mmm,ABC2_tP4_123_b_c_e:I-K-O,4.0,ABC2_tP4_123_b_c_e:I-K-O +mp-1211410,KIO2,-4.1310901781,-1.0118044982,0.4231207037,0.4231207037,GGA,I4_1/amd,ABC2_tI32_141_c_d_h:I-K-O,16.0,ABC2_tI32_141_c_d_h:I-K-O +mp-1192976,K2IO9,-4.5412470463,-0.5233834925,0.3724216453,0.3724216453,GGA,P-1,AB2C9_aP24_2_i_2i_9i:I-K-O,24.0,AB2C9_aP24_2_i_2i_9i:I-K-O +mp-27764,K4I2O9,-4.8938566797,-1.4332882204,0.0,-0.0479862543,GGA,P6_3/mmc,A2B4C9_hP30_194_f_abf_hk:I-K-O,30.0,A2B4C9_hP30_194_f_abf_hk:I-K-O +mp-560685,K2Ge(IO3)6,-5.0501106585,-1.1714284122,0.0,-0.0289451935,GGA,R-3,AB6C2D18_hR81_148_a_f_c_3f:Ge-I-K-O,27.0,"Invalid WP multiplicities - AB6C2D18_hR81_148_a_f_c_9f:Ge-I-K-O, expected K2Ge(IO9)6 to be K2Ge(IO3)6" +mp-1180816,KIO3,-4.856070678,-1.3713043918,0.0094462883,-0.1189603342,GGA,C2,ABC3_mC40_5_2c_2a2b_6c:I-K-O,20.0,"Invalid WP multiplicities - ABC3_mC40_5_3c_2a2b_11c:I-K-O, expected K2I3O11 to be KIO3" +mp-1200675,KIO3,-4.8655169663,-1.3807506801,0.0,-0.1284066225,GGA,R3,ABC3_hR120_146_2a2b_2a2b_8b:I-K-O,40.0,ABC3_hR120_146_2a2b_2a2b_8b:I-K-O +mp-1223446,KIO3,-4.86031302,-1.3755467339,0.0052039463,-0.1232026762,GGA,R3,ABC3_hR15_146_a_a_b:I-K-O,5.0,ABC3_hR15_146_a_a_b:I-K-O +mp-552729,KIO3,-4.861108092,-1.3763418059,0.0044088743,-0.1239977482,GGA,R3m,ABC3_hR15_160_a_a_b:I-K-O,5.0,ABC3_hR15_160_a_a_b:I-K-O +mp-1080058,KIO3,-4.865235048,-1.3804687619,0.0002819183,-0.1281247042,GGA,R3c,ABC3_hR30_161_a_a_b:I-K-O,10.0,ABC3_hR30_161_a_a_b:I-K-O +mp-558843,KIO3,-4.6682329,-1.1834666139,0.1972840663,0.0688774438,GGA,Pm-3m,ABC3_cP5_221_b_a_c:I-K-O,5.0,ABC3_cP5_221_b_a_c:I-K-O +mp-677073,K2I2O3,-3.96279342,-1.104565316,0.369055973,0.369055973,GGA,Pc,A2B2C3_mP14_7_2a_2a_3a:I-K-O,14.0,"Invalid WP multiplicities - A2B2C3_mP14_7_4a_3a_5a:I-K-O, expected K3I4O5 to be K2I2O3" +mp-768368,K4I2O,-3.3139624143,-1.5518171001,0.0,-0.0152945271,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:I-K-O,7.0,"Invalid WP multiplicities - A2B4C_tI14_139_e_2ce_a:I-K-O, expected K6I2O to be K4I2O" +mp-984107,K3IO5,-4.8045666844,-1.5225659348,0.0,-0.1140065232,GGA,P4/nmm,AB3C5_tP18_129_c_abc_cj:I-K-O,18.0,AB3C5_tP18_129_c_abc_cj:I-K-O +mp-540618,K3IO5,-4.8042751378,-1.5222743881,0.0002915467,-0.1137149765,GGA,P4/ncc,AB3C5_tP36_130_c_abc_cg:I-K-O,36.0,AB3C5_tP36_130_c_abc_cg:I-K-O +mp-1193630,K(IO3)3,-4.6904270788,-0.8403735098,0.1195745313,0.1195745313,GGA,P-1,A3BC9_aP26_2_3i_i_9i:I-K-O,26.0,A3BC9_aP26_2_3i_i_9i:I-K-O +mp-727413,K(IO3)2,-4.7997583843000005,-1.0511735049,0.0256641581,0.0256641581,GGA,P2_1/c,A2BC6_mP72_14_4e_2e_12e:I-K-O,72.0,A2BC6_mP72_14_4e_2e_12e:I-K-O +mp-1199086,K(IO3)2,-4.7265249042,-0.9779400248,0.0988976383,0.0988976383,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:I-K-O,36.0,A2BC6_mP36_14_2e_e_6e:I-K-O +mp-1202272,K(IO3)2,-4.7332269369,-0.9846420576,0.0921956055,0.0921956055,GGA,Pca2_1,A2BC6_oP72_29_4a_2a_12a:I-K-O,72.0,A2BC6_oP72_29_4a_2a_12a:I-K-O +mp-1201810,K(IO3)2,-4.7428877583,-0.9943028789,0.0825347841,0.0825347841,GGA,Fdd2,A2BC6_oF216_43_3b_ab_9b:I-K-O,54.0,A2BC6_oF216_43_3b_ab_9b:I-K-O +mp-28171,K3IO,-3.419062858,-1.4688124775,0.0,-0.008055712,GGA,Pm-3m,AB3C_cP5_221_a_c_b:I-K-O,5.0,AB3C_cP5_221_a_c_b:I-K-O +mp-23562,KIO4,-4.9078260367,-1.179406013,0.0,-0.0287804462,GGA,I4_1/a,ABC4_tI24_88_a_b_f:I-K-O,12.0,ABC4_tI24_88_a_b_f:I-K-O +mp-12146,CaB2F8,-6.3081899955,-3.5212613444,0.0,-0.105671342,GGA,Pbca,A2BC8_oP88_61_2c_c_8c:B-Ca-F,88.0,"Invalid WP multiplicities - A2BC8_oP88_61_3c_c_14c:B-Ca-F, expected CaB3F14 to be CaB2F8" +mp-1182455,BNF4,-5.2757550854,-1.4987879911,0.7460453397,0.7460453397,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-N,24.0,AB4C_oP24_62_c_2cd_c:B-F-N +mp-732198,BNF4,-5.1409901429,-1.3640230486,0.8808102822,0.8808102822,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-N,24.0,AB4C_oP24_62_c_2cd_c:B-F-N +mp-10233,Ca2BN2F,-6.9597363471,-2.0805596224,0.0,-0.0216398267,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_2c:B-Ca-F-N,24.0,"Invalid WP multiplicities - AB2CD2_oP24_62_c_2c_c_3c:B-Ca-F-N, expected Ca2BN3F to be Ca2BN2F" +mp-1196191,BNF8,-4.7836203475,-1.7528485039,0.0019221405,-0.5079161669,GGA,Pbcm,AB8C_oP40_57_d_2d3e_c:B-F-N,40.0,AB8C_oP40_57_d_2d3e_c:B-F-N +mp-4674,BNF8,-4.785542488,-1.7547706444000002,0.0,-0.5098383074,GGA,P-42_1m,AB8C_tP40_113_e_4e2f_ac:B-F-N,40.0,AB8C_tP40_113_e_4e2f_ac:B-F-N +mp-1019888,KNa2BN2,-5.146985715,-0.6290138559,0.0,-0.0173008365,GGA,I4/mmm,ABC2D2_tI12_139_a_b_e_d:B-K-N-Na,6.0,ABC2D2_tI12_139_a_b_e_d:B-K-N-Na +mp-1029756,K3BN2,-4.9912956629,-0.5440325859,0.035947436,0.035947436,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:B-K-N,24.0,AB3C2_mP24_14_e_3e_2e:B-K-N +mp-1019380,Al3BN4,-7.7095617312,-1.3017993611,0.2518434,0.2518434,GGA,P-43m,A3BC4_cP8_215_c_a_e:Al-B-N,8.0,A3BC4_cP8_215_c_a_e:Al-B-N +mp-1245626,YAlN2,-8.25154387,-1.5302846717,0.1955875037,0.1955875037,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Al-N-Y,16.0,AB2C_mP16_14_e_2e_e:Al-N-Y +mp-1245678,YAlN2,-8.1902019177,-1.4689427193,0.2569294561,0.2569294561,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Al-N-Y,64.0,AB2C_oP64_61_2c_4c_2c:Al-N-Y +mp-1245628,YAlN2,-8.2012784425,-1.4800192442,0.2458529313,0.2458529313,GGA,I-42d,AB2C_tI16_122_a_d_b:Al-N-Y,8.0,AB2C_tI16_122_a_d_b:Al-N-Y +mp-1019379,AlB3N4,-8.2725743075,-1.1313579522,0.3607763212,0.3607763212,GGA,P-43m,AB3C4_cP8_215_a_c_e:Al-B-N,8.0,AB3C4_cP8_215_a_c_e:Al-B-N +mp-1215931,YAl2BN4,-7.8242452838,-1.0763710032,0.5480093431,0.5480093431,GGA,Pm,A2BC4D_mP8_6_ab_a_2a2b_b:Al-B-N-Y,8.0,A2BC4D_mP8_6_ab_a_2a2b_b:Al-B-N-Y +mp-1245982,Y2AlN3,-8.55304098,-1.6050405081,0.1679900575,0.1679900575,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Al-N-Y,12.0,AB3C2_oC24_36_a_ab_b:Al-N-Y +mp-1246082,Y2AlN3,-8.5421918108,-1.5941913389,0.1788392267,0.1788392267,GGA,Cmce,AB3C2_oC48_64_f_e2f_2f:Al-N-Y,24.0,AB3C2_oC48_64_f_e2f_2f:Al-N-Y +mp-1247331,YAl2N3,-8.0789229817,-1.5844050569,0.0943087283,0.0943087283,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Al-N-Y,12.0,A2B3C_oC24_36_b_ab_a:Al-N-Y +mp-1215903,YBN2,-7.9086506825,-0.453937499,1.2104261887,1.2104261887,GGA,P-4m2,AB2C_tP4_115_a_g_c:B-N-Y,4.0,AB2C_tP4_115_a_g_c:B-N-Y +mp-1008557,AlBN2,-7.9127336325,-1.1382442698,0.3846442475,0.3846442475,GGA,P-4m2,ABC2_tP4_115_a_c_g:Al-B-N,4.0,ABC2_tP4_115_a_c_g:Al-B-N +mp-1210601,P2N3O8,-6.0616141663,-0.2608757449,1.290698005,1.290698005,GGA,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:N-O-P,52.0,A3B8C2_mP52_14_3e_8e_2e:N-O-P +mp-1210612,P(NO2)2,-6.5562764439,-0.574412558,0.8663344955000001,0.8663344955000001,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:N-O-P,28.0,A2B4C_mP28_14_2e_4e_e:N-O-P +mp-1190793,PNO4,-6.9512583971,-1.3618330176,0.3190385448,0.3190385448,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:N-O-P,24.0,AB4C_oP24_19_a_4a_a:N-O-P +mp-1209569,PNO4,-6.3853982325,-0.7959728531,0.8848987094,0.8848987094,GGA,I-42d,AB4C_tI24_122_a_e_b:N-O-P,12.0,AB4C_tI24_122_a_e_b:N-O-P +mp-1212791,P2N6O,-7.2323759047,0.0778755702,0.7297776495,0.7297776495,GGA,P2_1/c,A6BC2_mP72_14_12e_2e_4e:N-O-P,72.0,A6BC2_mP72_14_12e_2e_4e:N-O-P +mp-1180016,P3N3O14,-6.8845006195,-1.3593489069,0.2357012148,0.2357012148,GGA,P-1,A3B14C3_aP40_2_3i_14i_3i:N-O-P,40.0,A3B14C3_aP40_2_3i_14i_3i:N-O-P +mp-1180026,P2N2O5,-6.4012400789,-0.5975691434,1.3000287528,1.3000287528,GGA,P2_12_12,A2B5C2_oP36_18_2c_5c_2c:N-O-P,36.0,A2B5C2_oP36_18_2c_5c_2c:N-O-P +mp-1209939,NdP4NO12,-7.5562887739,-2.3275045006,0.3497050309,0.3497050309,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:N-Nd-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:N-Nd-O-P +mp-1199307,P3N6O7,-6.9193778831,-0.6140217551,0.9017718194,0.9017718194,GGA,P2_1,A6B7C3_mP32_4_6a_7a_3a:N-O-P,32.0,A6B7C3_mP32_4_6a_7a_3a:N-O-P +mp-531317,P4N6O,-7.7460356424,-0.7806839799,0.011336158,0.0040055485,GGA,Pc,A6BC4_mP66_7_18a_3a_12a:N-O-P,66.0,"Invalid WP multiplicities - A6BC4_mP66_7_36a_5a_24a:N-O-P, expected P24N36O5 to be P4N6O" +mp-28950,P4N6O,-7.7573718005,-0.7920201379,0.0,-0.0073306095,GGA,Pnnm,A6BC4_oP22_58_gh_a_fg:N-O-P,22.0,A6BC4_oP22_58_gh_a_fg:N-O-P +mp-726260,PNO3,-6.802717234,-1.0847445209,0.7261628417,0.7261628417,GGA,P2_12_12_1,AB3C_oP20_19_a_3a_a:N-O-P,20.0,AB3C_oP20_19_a_3a_a:N-O-P +mp-1179877,PNO3,-6.754508295,-1.0365355819,0.7743717807,0.7743717807,GGA,Pccn,AB3C_oP40_56_e_3e_e:N-O-P,40.0,AB3C_oP40_56_e_3e_e:N-O-P +mp-1200596,PNO3,-6.0086118982,-0.2906391852,1.5202681775,1.5202681775,GGA,Pccn,AB3C_oP40_56_e_3e_e:N-O-P,40.0,AB3C_oP40_56_e_3e_e:N-O-P +mp-1197085,PNO3,-6.6403727205,-0.9224000074,0.8885073552,0.8885073552,GGA,Cmce,AB3C_oC80_64_ef_2f2g_df:N-O-P,40.0,AB3C_oC80_64_ef_2f2g_df:N-O-P +mp-1198759,PNO3,-6.2546231685,-0.5366504554,1.2742569072,1.2742569072,GGA,Cmce,AB3C_oC80_64_ef_2f2g_df:N-O-P,40.0,AB3C_oC80_64_ef_2f2g_df:N-O-P +mp-36779,PNO,-7.6983797008,-1.4662176532,0.0153047842,-0.0334063986,GGA,P1,ABC_aP24_1_8a_8a_8a:N-O-P,24.0,ABC_aP24_1_8a_8a_8a:N-O-P +mp-675742,PNO,-6.1551509072,0.0770111404,1.5585335778,1.509822395,GGA,P-1,ABC_aP18_2_3i_3i_3i:N-O-P,18.0,ABC_aP18_2_5i_5i_5i:N-O-P +mp-760506,PNO,-7.6473458828,-1.4151838351,0.0663386022,0.0176274194,GGA,Cc,ABC_mC36_9_3a_3a_3a:N-O-P,18.0,"Invalid WP multiplicities - ABC_mC36_9_6a_4a_4a:N-O-P, expected P2N3O2 to be PNO" +mp-36066,PNO,-7.712753496699999,-1.480591449,0.0009309883,-0.0477801944,GGA,Cc,ABC_mC12_9_a_a_a:N-O-P,6.0,ABC_mC12_9_a_a_a:N-O-P +mp-1220011,PNO,-7.6816625972,-1.4495005496,0.0320218878,-0.016689295,GGA,Cc,ABC_mC36_9_3a_3a_3a:N-O-P,18.0,ABC_mC36_9_4a_4a_4a:N-O-P +mp-753671,PNO,-7.713684485,-1.4815224374,0.0,-0.0487111828,GGA,I2_12_12_1,ABC_oI12_24_a_b_c:N-O-P,6.0,ABC_oI12_24_a_b_c:N-O-P +mp-38975,PNO,-7.6746716456,-1.4425095979,0.0390128394,-0.0096983433,GGA,P3_2,ABC_hP9_145_a_a_a:N-O-P,9.0,ABC_hP9_145_a_a_a:N-O-P +mp-1207745,W3NO9,-8.6680378369,-1.6118006049,0.4114130814,0.4114130814,GGA+U,P6_3/mcm,AB9C3_hP26_193_b_fj_g:N-O-W,26.0,AB9C3_hP26_193_b_fj_g:N-O-W +mp-1215791,Yb2WN2O3,-7.4146953037,-1.470894957,0.8443985338000001,0.8443985338000001,GGA+U,I-4m2,A2B3CD2_tI16_119_e_ae_c_f:N-O-W-Yb,,A2B3CD2_tI16_119_e_ae_c_f:N-O-W-Yb +mp-724876,W2NO6,-8.46295869,-1.3593045064,0.5889753397,0.5889753397,GGA+U,Fd-3m,AB6C2_cF72_227_a_f_d:N-O-W,18.0,AB6C2_cF72_227_a_f_d:N-O-W +mp-1216189,WNO,-9.3238690333,-0.5767644113,0.7568860385,0.7568860385,GGA+U,R3m,ABC_hR9_160_a_a_a:N-O-W,3.0,ABC_hR9_160_a_a_a:N-O-W +mp-1216288,W4NO12,-8.7736091039,-1.7424749639,0.320409579,0.320409579,GGA+U,P-31m,AB12C4_hP51_162_ae_fgk2l_2k:N-O-W,51.0,"Invalid WP multiplicities - AB12C4_hP51_162_ae_3f3gk24l_12k:N-O-W, expected W24NO104 to be W4NO12" +mp-1206400,YPOs2C,-9.19690965,-0.4842748555,0.1659714645,0.1659714645,GGA,Cmcm,AB2CD_oC20_63_a_f_c_c:C-Os-P-Y,10.0,AB2CD_oC20_63_a_f_c_c:C-Os-P-Y +mp-1022814,YMg6V,-2.9821990525,0.1618081329,0.2163292437,0.2163292437,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-V-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-V-Y, expected YMg12V to be YMg6V" +mp-1022817,YMg6V,-2.9908761356,0.1531310498,0.2076521606,0.2076521606,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-V-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-V-Y, expected YMg12V to be YMg6V" +mp-1247094,YMg2V3S8,-6.4642007329,-1.4634615644,0.1209892437,0.1209892437,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-V-Y,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-V-Y, expected YMg2V3S16 to be YMg2V3S8" +mp-1028065,YMg14V,-2.3006597106,0.0714839071,0.1109096674,0.1109096674,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-V-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-V-Y, expected YMg18V to be YMg14V" +mp-1028036,YMg14V,-2.2842726019,0.0878710158,0.1272967762,0.1272967762,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-V-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-V-Y, expected YMg26V to be YMg14V" +mp-1247241,YMgVS4,-6.488630515,-1.6748509863,0.1069404134,0.1069404134,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-V-Y,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-V-Y, expected YMgVS12 to be YMgVS4" +mp-1045335,Y(VS2)2,-7.3309318486,-1.4480628885,0.2235276281,0.2235276281,GGA,Imma,A4B2C_oI28_74_hi_ae_c:S-V-Y,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_3h3i_ae_c:S-V-Y, expected Y(VS6)2 to be Y(VS2)2" +mp-1045354,Y(VS2)2,-7.2939814043,-1.4111124442,0.2604780724,0.2604780724,GGA,I4_1/amd,A4B2C_tI28_141_h_c_b:S-V-Y,14.0,A4B2C_tI28_141_h_c_b:S-V-Y +mp-1246884,Y3Mg2VS8,-6.5329808086,-1.9061609196,0.0729710717,0.0729710717,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-V-Y,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c3h_a_d:Mg-S-V-Y, expected Y3Mg2VS22 to be Y3Mg2VS8" +mp-1180867,KB5O12,-6.9025634658,-1.6876955583000002,0.5142019463,0.5142019463,GGA,Aea2,A5BC12_oC72_41_a2b_a_6b:B-K-O,36.0,A5BC12_oC72_41_a2b_a_6b:B-K-O +mp-667471,KB5O8,-7.8439542404,-2.5524637053,0.2785473721,0.2745689246,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:B-K-O,112.0,"Invalid WP multiplicities - A5BC8_oP112_61_31c_c_57c:B-K-O, expected KB31O57 to be KB5O8" +mp-648384,KB5O8,-7.8230330675,-2.5315425324,0.2994685449,0.2954900975,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:B-K-O,112.0,"Invalid WP multiplicities - A5BC8_oP112_61_31c_c_57c:B-K-O, expected KB31O57 to be KB5O8" +mp-1197506,KB5O8,-8.1225016124,-2.8310110773,0.0,-0.0039784474,GGA,Pbca,A5BC8_oP112_61_5c_c_8c:B-K-O,112.0,A5BC8_oP112_61_5c_c_8c:B-K-O +mp-17166,K2B4O7,-7.6652017477,-2.7755720588,0.0,-0.0114646959,GGA,P-1,A4B2C7_aP52_2_8i_4i_14i:B-K-O,52.0,"Invalid WP multiplicities - A4B2C7_aP52_2_8i_4i_17i:B-K-O, expected K4B8O17 to be K2B4O7" +mp-8891,K2Zr(BO3)2,-7.8776918373,-2.9861087161,0.0,-0.0185559805,GGA,R-3m,A2B2C6D_hR33_166_c_c_h_a:B-K-O-Zr,11.0,A2B2C6D_hR33_166_c_c_h_a:B-K-O-Zr +mp-3919,KBO2,-7.070752315,-2.6499602799,0.0,-0.160754985,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-K-O,24.0,ABC2_hR72_167_e_e_2e:B-K-O +mp-559636,KB3O5,-7.9128413793,-2.8148393997000003,0.0008996414,0.0008996414,GGA,P2_1/c,A3BC5_mP108_14_9e_3e_15e:B-K-O,108.0,"Invalid WP multiplicities - A3BC5_mP108_14_33e_9e_57e:B-K-O, expected K3B11O19 to be KB3O5" +mp-1196090,KB3O5,-7.8920073928,-2.7940054133,0.0217336278,0.0217336278,GGA,C2/c,A3BC5_mC72_15_3f_f_5f:B-K-O,36.0,A3BC5_mC72_15_3f_f_5f:B-K-O +mp-554996,K5B19O31,-8.0312323133,-2.8347270691,0.0,-0.0116548153,GGA,C2/c,A19B5C31_mC220_15_e9f_a2f_e15f:B-K-O,110.0,"Invalid WP multiplicities - A19B5C31_mC220_15_2e34f_2c7f_2e60f:B-K-O, expected K8B35O61 to be K5B19O31" +mp-1203343,K3B3O10,-6.1255835466,-1.5733173424,0.4141528675,0.4141528675,GGA,Pna2_1,A3B3C10_oP64_33_3a_3a_10a:B-K-O,64.0,A3B3C10_oP64_33_3a_3a_10a:B-K-O +mp-1181183,K3B3O10,-6.2242194778,-1.6719532737,0.3155169362,0.3155169362,GGA,Cmc2_1,A3B3C10_oC64_36_ab_ab_2a4b:B-K-O,32.0,A3B3C10_oC64_36_ab_ab_2a4b:B-K-O +mp-9870,K3Ta3(BO6)2,-8.6421069185,-3.0609280281,0.0,-0.0191649255,GGA,P-62m,A2B3C12D3_hP20_189_c_g_fgj_f:B-K-O-Ta,20.0,A2B3C12D3_hP20_189_c_g_fgj_f:B-K-O-Ta +mp-555150,KTa(BO3)2,-8.605860072,-3.0051508334,0.0,-0.0058491395,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:B-K-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_3a5b_a:B-K-O-Ta, expected KTaB2O13 to be KTa(BO3)2" +mp-31013,U(BO3)2,-9.193949915,-3.1572470462,0.0034899057,0.0034899057,GGA,C2/c,A2B6C_mC36_15_f_3f_e:B-O-U,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_4f_e:B-O-U, expected U(BO4)2 to be U(BO3)2" +mp-1194254,U(BO2)4,-8.9495182035,-2.9816346047,0.0369864853,0.0369864853,GGA,C2/c,A4B8C_mC52_15_2f_4f_e:B-O-U,26.0,A4B8C_mC52_15_2f_4f_e:B-O-U +mp-1187784,UBO3,-8.784558708,-2.2223851251,0.973498745,0.973498745,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-U,5.0,AB3C_cP5_221_b_c_a:B-O-U +mp-1217131,U2B9O22,-8.4599651445,-2.6561924898,0.1280048196,0.1280048196,GGA,P1,A9B22C2_aP33_1_9a_22a_2a:B-O-U,33.0,A9B22C2_aP33_1_9a_22a_2a:B-O-U +mp-557384,MgUB2O7,-8.7435137057,-3.2092141984,0.0,-0.0051604928,GGA,Pbcm,A2BC7D_oP44_57_2d_d_5de_d:B-Mg-O-U,44.0,"Invalid WP multiplicities - A2BC7D_oP44_57_5d_d_19d6e_d:B-Mg-O-U, expected MgUB5O31 to be MgUB2O7" +mp-1194333,UB12O13,-7.1840007777,-1.1935752198,1.2455542985,1.2455542985,GGA,Cm,A12B13C_mC52_8_4a4b_5a4b_a:B-O-U,26.0,A12B13C_mC52_8_4a4b_5a4b_a:B-O-U +mp-1200475,UB8O17,-8.2881522967,-2.5642964403,0.1445084775,0.1445084775,GGA,Cc,A8B17C_mC104_9_8a_17a_a:B-O-U,52.0,A8B17C_mC104_9_8a_17a_a:B-O-U +mp-8267,KPS3,-4.749104456,-0.9624942451,0.0,-0.0381707146,GGA,Immm,ABC3_oI20_71_e_g_fl:K-P-S,10.0,"Invalid WP multiplicities - ABC3_oI20_71_e_g_f2l:K-P-S, expected KPS5 to be KPS3" +mp-7505,K2P2Pd,-4.171035033,-0.5255780895000001,0.0,-0.1134115112,GGA,Cmcm,A2B2C_oC20_63_2c_g_a:K-P-Pd,10.0,"Invalid WP multiplicities - A2B2C_oC20_63_4c_g_a:K-P-Pd, expected K4P2Pd to be K2P2Pd" +mp-1201278,K2P2PdS6,-4.8722472011,-0.9589759358,0.0017599191,0.0017599191,GGA,Pnma,A2B2CD6_oP44_62_2c_2c_a_2c2d:K-P-Pd-S,44.0,A2B2CD6_oP44_62_2c_2c_a_2c2d:K-P-Pd-S +mp-866637,KPPdS4,-4.9659315711000005,-0.9303054666,0.0,-0.0404407507,GGA,P4_2/mnm,ABCD4_tP28_136_d_f_ab_ij:K-P-Pd-S,28.0,ABCD4_tP28_136_d_f_ab_ij:K-P-Pd-S +mp-863747,K4P2PdS8,-4.6792953273,-1.1099832242,0.0,-0.009541359,GGA,P-1,A4B2CD8_aP15_2_2i_i_a_4i:K-P-Pd-S,15.0,"Invalid WP multiplicities - A4B2CD8_aP15_2_3i_i_a_7i:K-P-Pd-S, expected K6P2PdS14 to be K4P2PdS8" +mp-17989,K3PS4,-4.4105985659,-1.249311214,0.0,-0.0556666917,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:K-P-S,32.0,A3BC4_oP32_62_cd_c_2cd:K-P-S +mp-1212802,K2Pd3S2,-4.1268614346,-0.4078124264,0.3797376611,0.3797376611,GGA,Fddd,A2B3C2_oF112_70_h_ch_h:K-Pd-S,,A2B3C2_oF112_70_h_ch_h:K-Pd-S +mp-1202353,K2PS3,-4.5376469331,-1.1970719329,0.0,-0.0372072542,GGA,P2_1/c,A2BC3_mP48_14_4e_2e_6e:K-P-S,48.0,A2BC3_mP48_14_4e_2e_6e:K-P-S +mp-9910,K2Pd3S4,-4.7503698244,-0.9385650698,0.0,-0.0573953097,GGA,Fddd,A2B3C4_oF72_70_e_ae_h:K-Pd-S,18.0,"Invalid WP multiplicities - A2B3C4_oF72_70_e_a2e_h:K-Pd-S, expected K2Pd5S4 to be K2Pd3S4" +mp-1068941,K2PdS2,-4.23728601,-1.1025701224,0.0,-0.0503558687,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pd-S,5.0,A2BC2_oI10_71_e_c_g:K-Pd-S +mp-28092,B20H26O,-4.9006185456,-0.0762483053,0.2040936682,0.2040936682,GGA,C2/c,A20B26C_mC188_15_10f_13f_e:B-H-O,94.0,"Invalid WP multiplicities - A20B26C_mC188_15_10f_14f_e:B-H-O, expected B20H28O to be B20H26O" +mp-1225228,GdB2HO5,-9.09772213,-2.9242693097,0.029422876,0.029422876,GGA,P2_1,A2BCD5_mP36_4_4a_2a_2a_10a:B-Gd-H-O,36.0,A2BCD5_mP36_4_4a_2a_2a_10a:B-Gd-H-O +mp-1225873,GdB2HO5,-8.9704057394,-2.7969529191,0.1567392665,0.1567392665,GGA,Pc,A2BCD5_mP36_7_4a_2a_2a_10a:B-Gd-H-O,36.0,A2BCD5_mP36_7_4a_2a_2a_10a:B-Gd-H-O +mp-23791,B(HO)3,-6.3839994293,-1.8557657093,0.0,-0.0152432369,GGA,P-1,AB3C3_aP28_2_2i_6i_6i:B-H-O,28.0,"Invalid WP multiplicities - AB3C3_aP28_2_2i_8i_7i:B-H-O, expected B2H8O7 to be B(HO)3" +mp-759069,B(HO)3,-6.3814432788,-1.8532095589,0.0025561505,-0.0126870864,GGA,P3_2,AB3C3_hP42_145_2a_6a_6a:B-H-O,42.0,"Invalid WP multiplicities - AB3C3_hP42_145_2a_15a_14a:B-H-O, expected B2H15O14 to be B(HO)3" +mp-1202159,B(HO)2,-6.3262613767,-1.6546171201000002,0.1528819291,0.1528819291,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:B-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:B-H-O +mp-1214847,B(HO)2,-6.2203128457,-1.5486685891,0.2588304601,0.2588304601,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:B-H-O,40.0,AB2C2_mP40_14_2e_4e_4e:B-H-O +mp-1198592,BHO2,-7.250747621,-2.2593738115,0.0,-0.0106689451,GGA,P2_1/c,ABC2_mP48_14_3e_3e_6e:B-H-O,48.0,ABC2_mP48_14_3e_3e_6e:B-H-O +mp-696403,BHO2,-7.2480310696,-2.25665726,0.0027165515,-0.0079523936,GGA,Pnma,ABC2_oP48_62_3c_3c_6c:B-H-O,48.0,ABC2_oP48_62_3c_3c_6c:B-H-O +mp-721851,BHO2,-7.2451143361,-2.2537405266,0.0056332849,-0.0050356602,GGA,P-43n,ABC2_cP96_218_i_i_2i:B-H-O,96.0,ABC2_cP96_218_i_i_2i:B-H-O +mp-1197106,B6H7O6,-6.214970792,-1.2936252547,0.2485988629,0.2485988629,GGA,P2_1/c,A6B7C6_mP76_14_6e_7e_6e:B-H-O,76.0,A6B7C6_mP76_14_6e_7e_6e:B-H-O +mp-561177,Gd3BWO9,-10.9381524825,-3.3391462595,0.0068232978,0.0068232978,GGA+U,P6_3,AB3C9D_hP28_173_a_c_3c_b:B-Gd-O-W,28.0,"Invalid WP multiplicities - AB3C9D_hP28_173_a_c_11c_b:B-Gd-O-W, expected Gd3BWO33 to be Gd3BWO9" +mp-1190670,Gd3B7W,-9.7975304482,-0.5300541440000001,0.0,-0.0092914953,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Gd-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Gd-W +mp-1332293,K4(BSe)9,-5.1249934654,-0.7604786915,0.0028312289,-0.1400622333,GGA,P1,A9B4C9_aP132_1_54a_24a_54a:B-K-Se,132.0,A9B4C9_aP132_1_54a_24a_54a:B-K-Se +mp-680747,K4(BSe)9,-5.1278246942,-0.7633099204,0.0,-0.1428934622,GGA,Cm,A9B4C9_mC264_8_6a24b_4a10b_6a24b:B-K-Se,132.0,"Invalid WP multiplicities - A9B4C9_mC264_8_6a48b_4a19b_6a47b:B-K-Se, expected K21B51Se50 to be K4(BSe)9" +mp-1201786,KB3SeO7,-7.3682805658,-2.4290050062,0.0,-0.0125209975,GGA,P2_1/c,A3BC7D_mP48_14_3e_e_7e_e:B-K-O-Se,48.0,A3BC7D_mP48_14_3e_e_7e_e:B-K-O-Se +mp-1202890,K2B2Se3O10,-6.3969982157,-1.9538098051,0.0,-0.0161403708,GGA,Pnma,A2B2C10D3_oP68_62_d_d_2c4d_cd:B-K-O-Se,68.0,A2B2C10D3_oP68_62_d_d_2c4d_cd:B-K-O-Se +mp-542637,K2B2Se7,-4.4533058755,-0.8123093501,0.0,-0.064530391,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:B-K-Se,22.0,A2B2C7_mC44_15_f_f_e3f:B-K-Se +mp-1216203,Y2Fe17CN,-8.4374437252,-0.1284692865,0.0836949464,0.0836949464,GGA,P-1,AB17CD2_aP21_2_e_bch7i_a_i:C-Fe-N-Y,21.0,"Invalid WP multiplicities - AB17CD2_aP21_2_e_bch13i_a_i:C-Fe-N-Y, expected Y2Fe29CN to be Y2Fe17CN" +mp-1246518,Y(C2N3)3,-8.7579728438,-0.2037904442,0.138273746,0.138273746,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Y,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Y +mp-1029920,Y2(CN2)3,-9.2349056673,-0.995095826,0.0,-0.3160604275,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Y,22.0,A3B6C2_hR66_167_e_f_c:C-N-Y +mp-984553,BOsO3,-6.774564064,-0.2251989971,1.7791229257,1.7791229257,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-O-Os,5.0,AB3C_cP5_221_b_c_a:B-O-Os +mp-726927,BOs3(CO)10,-8.3718593471,-0.783732843,0.448306088,0.448306088,GGA,P-1,AB10C10D3_aP48_2_i_10i_10i_3i:B-C-O-Os,48.0,AB10C10D3_aP48_2_i_10i_10i_3i:B-C-O-Os +mp-557437,KBi(PS3)2,-4.878034305,-0.8184150758000001,0.0,-0.0213911658,GGA,P2_1,ABC2D6_mP20_4_a_a_2a_6a:Bi-K-P-S,20.0,"Invalid WP multiplicities - ABC2D6_mP20_4_a_a_4a_11a:Bi-K-P-S, expected KBiP4S11 to be KBi(PS3)2" +mp-554554,K9Bi(PS4)4,-4.537284129,-1.1482678773,0.0,-0.0029162329,GGA,P2_12_12,AB9C4D16_oP60_18_a_a4c_2c_8c:Bi-K-P-S,60.0,"Invalid WP multiplicities - AB9C4D16_oP60_18_a_2a11c_5c_29c:Bi-K-P-S, expected K24Bi(P5S29)2 to be K9Bi(PS4)4" +mp-1203444,K3Bi3(PS4)4,-4.7908169963,-0.8412372991,0.0100514971,0.0100514971,GGA,P4/ncc,A3B3C4D16_tP208_130_fg_acg_2g_8g:Bi-K-P-S,208.0,A3B3C4D16_tP208_130_fg_acg_2g_8g:Bi-K-P-S +mp-23572,KBiP2S7,-4.8719532327,-0.8053494001,0.0,-0.0215734691,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Bi-K-P-S,44.0,ABC2D7_mP44_14_e_e_2e_7e:Bi-K-P-S +mp-554216,K3Bi(PS4)2,-4.6758185591,-1.0265407077,0.0,-0.0184639717,GGA,P2_12_12_1,AB3C2D8_oP56_19_a_3a_2a_8a:Bi-K-P-S,56.0,"Invalid WP multiplicities - AB3C2D8_oP56_19_a_9a_6a_32a:Bi-K-P-S, expected K9Bi(P3S16)2 to be K3Bi(PS4)2" +mp-562102,K2S2O7,-6.2218547423,-2.1199894144,0.0,-0.0544704541,GGA,C2/c,A2B7C2_mC44_15_f_e3f_f:K-O-S,22.0,"Invalid WP multiplicities - A2B7C2_mC44_15_f_2e8f_f:K-O-S, expected KSO9 to be K2S2O7" +mp-732296,KSO6,-5.1267288938,-0.7608562586000001,0.6966364638,0.6966364638,GGA,C2/c,AB6C_mC64_15_f_6f_f:K-O-S,32.0,AB6C_mC64_15_f_6f_f:K-O-S +mp-1202360,K3S3O5,-5.3506918492,-1.671238213,0.308001349,0.308001349,GGA,P2_1/c,A3B5C3_mP88_14_6e_10e_6e:K-O-S,88.0,A3B5C3_mP88_14_6e_10e_6e:K-O-S +mp-677413,K2SO3,-4.9080471567,-1.3751615076,0.7714600982,0.7714600982,GGA,Cc,A2B3C_mC24_9_2a_3a_a:K-O-S,12.0,"Invalid WP multiplicities - A2B3C_mC24_9_4a_5a_a:K-O-S, expected K4SO5 to be K2SO3" +mp-8483,K2SO3,-5.6108757558,-2.0779901067,0.0686314991,0.0686314991,GGA,P-3m1,A2B3C_hP12_164_abd_i_d:K-O-S,12.0,A2B3C_hP12_164_abd_i_d:K-O-S +mp-655105,K2Pb(SO4)2,-5.8643933815,-1.7274815056,0.3945500869,0.3611295002,GGA,R-3m,A2B8CD2_hR39_166_c_ch_a_c:K-O-Pb-S,13.0,"Invalid WP multiplicities - A2B8CD2_hR39_166_c_2c2h_a_c:K-O-Pb-S, expected K2Pb(SO8)2 to be K2Pb(SO4)2" +mp-21099,K2Pb(SO4)2,-6.2589434685,-2.1220315925,0.0,-0.0334205867,GGA,R-3m,A2B8CD2_hR39_166_c_ch_a_c:K-O-Pb-S,13.0,"Invalid WP multiplicities - A2B8CD2_hR39_166_c_c2h_a_c:K-O-Pb-S, expected K2Pb(SO7)2 to be K2Pb(SO4)2" +mp-541214,KS2O3,-5.7471967679,-1.7099692988,0.041093637,0.041093637,GGA,Cc,AB3C2_mC96_9_4a_12a_8a:K-O-S,48.0,AB3C2_mC96_9_4a_12a_8a:K-O-S +mp-1224239,K2SO4,-6.00167165,-2.2668141349,0.0117979818,-0.2348677199,GGA,C2/c,A2B4C_mC28_15_ae_2f_e:K-O-S,14.0,A2B4C_mC28_15_ce_2f_e:K-O-S +mp-4529,K2SO4,-6.0134696318,-2.2786121167,0.0,-0.2466657016,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:K-O-S,28.0,A2B4C_oP28_62_2c_2cd_c:K-O-S +mp-677242,K2SO4,-5.9991685821,-2.264311067,0.0143010496,-0.232364652,GGA,Cmcm,A2B4C_oC28_63_ac_fg_c:K-O-S,14.0,"Invalid WP multiplicities - A2B4C_oC28_63_a2c_2f3g_c:K-O-S, expected K3SO10 to be K2SO4" +mp-562631,K2SO4,-4.20102279,-0.4661652749,1.8124468418,1.5657811401,GGA,P-3m1,A2B4C_hP14_164_abd_di_d:K-O-S,14.0,"Invalid WP multiplicities - A2B4C_hP14_164_ab2d_di_d:K-O-S, expected K3SO4 to be K2SO4" +mp-867980,K4(S2O3)5,-5.2737939524,-1.1356413619,0.5514046364,0.5514046364,GGA,Pbcn,A4B15C10_oP116_60_2d_c7d_5d:K-O-S,116.0,A4B15C10_oP116_60_2d_c7d_5d:K-O-S +mp-1211331,KSO2,-5.5368742412,-1.7518176822,0.262609343,0.262609343,GGA,Pnma,AB2C_oP16_62_c_d_c:K-O-S,16.0,AB2C_oP16_62_c_d_c:K-O-S +mp-4264,K2S2O5,-5.8962262589000005,-1.9820994607,0.0753344638,0.0753344638,GGA,P2_1/m,A2B5C2_mP18_11_2e_e2f_2e:K-O-S,18.0,A2B5C2_mP18_11_2e_e2f_2e:K-O-S +mp-1181550,K2S2O5,-5.8389135961,-1.9247867979,0.1326471266,0.1326471266,GGA,P2_1/m,A2B5C2_mP18_11_2e_e2f_2e:K-O-S,18.0,"Invalid WP multiplicities - A2B5C2_mP18_11_3e_2e5f_2e:K-O-S, expected K3(SO6)2 to be K2S2O5" +mp-27792,K2S5O16,-6.3079150613,-1.8709556435,0.0,-0.0335302659,GGA,Pbcn,A2B16C5_oP92_60_d_8d_c2d:K-O-S,92.0,"Invalid WP multiplicities - A2B16C5_oP92_60_d_12d_c3d:K-O-S, expected K2S7O24 to be K2S5O16" +mp-541581,KSO3,-6.0963522997,-2.0789693101,0.0128701338,0.0128701338,GGA,P321,AB3C_hP30_150_ef_3g_c2d:K-O-S,30.0,AB3C_hP30_150_ef_3g_c2d:K-O-S +mp-558546,KSO3,-6.098420835,-2.0810378455,0.0108015985,0.0108015985,GGA,P321,AB3C_hP30_150_ef_3g_c2d:K-O-S,30.0,"Invalid WP multiplicities - AB3C_hP30_150_2e3f_15g_2c4d:K-O-S, expected K5(S2O15)2 to be KSO3" +mp-545746,KSO4,-5.95810392,-1.7858366435000002,0.1574869864,0.1574869864,GGA,P-1,AB4C_aP12_2_i_4i_i:K-O-S,12.0,"Invalid WP multiplicities - AB4C_aP12_2_i_6i_i:K-O-S, expected KSO6 to be KSO4" +mp-7622,KSO4,-5.9681749933,-1.7959077169,0.147415913,0.147415913,GGA,P-1,AB4C_aP12_2_i_4i_i:K-O-S,12.0,AB4C_aP12_2_i_4i_i:K-O-S +mp-1201474,KSO4,-6.017125547,-1.8448582705,0.0984653594,0.0984653594,GGA,Pbca,AB4C_oP96_61_2c_8c_2c:K-O-S,96.0,AB4C_oP96_61_2c_8c_2c:K-O-S +mp-1019783,K2S2O3,-5.4413842202,-1.8222751114,0.1229728448,0.1229728448,GGA,P2_1/c,A2B3C2_mP56_14_4e_6e_4e:K-O-S,56.0,A2B3C2_mP56_14_4e_6e_4e:K-O-S +mp-3916,K2(SO2)3,-5.8963502361,-1.868142985,0.0421074905,0.0421074905,GGA,Pnma,A2B6C3_oP44_62_2c_2c2d_3c:K-O-S,44.0,A2B6C3_oP44_62_2c_2c2d_3c:K-O-S +mp-1211790,K3(SO4)2,-6.0484826331,-2.1117436896,0.0121198947,0.0121198947,GGA,C2/c,A3B8C2_mC52_15_ef_4f_f:K-O-S,26.0,A3B8C2_mC52_15_ef_4f_f:K-O-S +mp-1195493,BC6XeF11,-5.6941687562,-1.3197567805,0.4843520461,0.4843520461,GGA,P2_1/c,AB6C11D_mP76_14_e_6e_11e_e:B-C-F-Xe,76.0,AB6C11D_mP76_14_e_6e_11e_e:B-C-F-Xe +mp-1215031,BC10XeF17,-5.8835971268,-1.3492052884,0.3973335377,0.3973335377,GGA,P2_1/c,AB10C17D_mP116_14_e_10e_17e_e:B-C-F-Xe,116.0,AB10C17D_mP116_14_e_10e_17e_e:B-C-F-Xe +mp-1214334,C12SF10,-6.7329879614,-0.9071085939,0.2981811204,0.2981811204,GGA,P4_12_12,A12B10C_tP92_92_6b_5b_a:C-F-S,92.0,A12B10C_tP92_92_6b_5b_a:C-F-S +mp-1195784,CoC8(SF3)4,-6.0500666726,-1.2332191201,0.2101314168,0.2101314168,GGA+U,P-1,A8BC12D4_aP50_2_8i_i_12i_4i:C-Co-F-S,50.0,A8BC12D4_aP50_2_8i_i_12i_4i:C-Co-F-S +mp-1214177,C2SF6,-5.0906221706,-1.3058827642,0.5615940427,0.5615940427,GGA,P2_1,A2B6C_mP18_4_2a_6a_a:C-F-S,18.0,"Invalid WP multiplicities - A2B6C_mP18_11_2e_2e4f_e:C-F-S, expected C2SF10 to be C2SF6" +mp-1214118,C2SF6,-5.3377451667,-1.5530057603,0.3144710465,0.3144710465,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:C-F-S,36.0,A2B6C_mP36_14_2e_6e_e:C-F-S +mp-1019539,BaB2S3O13,-7.1582574213,-2.3164647198,0.0,-0.0292262404,GGA,Pnma,A2BC13D3_oP76_62_d_c_3c5d_cd:B-Ba-O-S,76.0,A2BC13D3_oP76_62_d_c_3c5d_cd:B-Ba-O-S +mp-1019509,B2S2O9,-7.1784391885,-2.0898329056,0.0,-0.0420355838,GGA,C2,A2B9C2_mC26_5_c_a4c_c:B-O-S,13.0,A2B9C2_mC26_5_c_a4c_c:B-O-S +mp-704467,Rb2U2WO10,-8.8249656582,-3.0270386243,0.0,-0.0166989158,GGA+U,P2_1/c,A10B2C2D_mP120_14_20e_4e_4e_2e:O-Rb-U-W,120.0,"Invalid WP multiplicities - A10B2C2D_mP120_14_76e_12e_14e_3e:O-Rb-U-W, expected Rb12U14W3O76 to be Rb2U2WO10" +mp-644303,UW3O11,-9.481407049,-2.5094486141,0.0323476359,0.0323476359,GGA+U,Pmma,A11BC3_oP30_51_b3ef2ij_e_ai:O-U-W,30.0,A11BC3_oP30_51_b3ef2ij_e_ai:O-U-W +mp-704795,U(WO4)2,-9.4503808188,-2.4702735315,0.1987886905,0.1987886905,GGA+U,Pbca,A8BC2_oP88_61_8c_c_2c:O-U-W,88.0,"Invalid WP multiplicities - A8BC2_oP88_61_56c_c_8c:O-U-W, expected U(WO7)8 to be U(WO4)2" +mp-1208272,U2WO8,-9.9686260477,-3.1400387805,0.0483526837,0.0483526837,GGA+U,Pbam,A8B2C_oP44_55_5g3h_2g_g:O-U-W,44.0,A8B2C_oP44_55_5g3h_2g_g:O-U-W +mp-645942,Rb6U2W4O21,-8.1641579496,-2.5829758796,0.0369096487,0.0369096487,GGA+U,P-1,A21B6C2D4_aP132_2_42i_12i_4i_8i:O-Rb-U-W,132.0,"Invalid WP multiplicities - A21B6C2D4_aP132_2_83i_24i_7i_15i:O-Rb-U-W, expected Rb24U7W15O83 to be Rb6U2W4O21" +mp-1217240,U3(PS4)4,-6.2962626698,-1.0044958034,0.0276356236,0.0276356236,GGA,I-4c2,A4B16C3_tI92_120_i_4i_abd:P-S-U,46.0,"Invalid WP multiplicities - A4B16C3_tI92_120_i_10i_abd:P-S-U, expected U3(PS10)4 to be U3(PS4)4" +mp-1194605,BaU(PS4)2,-5.9470757771,-1.1863600356,0.0562047818,0.0562047818,GGA,P4_2/mbc,AB2C8D_tP48_135_d_h_2hi_b:Ba-P-S-U,48.0,AB2C8D_tP48_135_d_h_2hi_b:Ba-P-S-U +mp-1216889,U5P4S,-9.328880877,-1.1042098826,0.00297699,0.00297699,GGA,R-3m,A4BC5_hR30_166_2c_a_b2c:P-S-U,10.0,"Invalid WP multiplicities - A4BC5_hR30_166_3c_a_b2c:P-S-U, expected U5P6S to be U5P4S" +mp-20326,U(PS3)2,-6.1783158867,-0.9631254173,0.0,-0.0400370661,GGA,P4_2/m,A2B6C_tP18_84_j_jk_e:P-S-U,18.0,"Invalid WP multiplicities - A2B6C_tP18_84_j_j2k_e:P-S-U, expected U(PS5)2 to be U(PS3)2" +mp-4450,UPS,-8.2742159417,-1.3271618138,0.0,-0.0675249503,GGA,P4/nmm,ABC_tP6_129_a_c_c:P-S-U,6.0,ABC_tP6_129_a_c_c:P-S-U +mp-1216840,U5PS4,-9.343435916,-1.5018207136,0.0,-0.001070438,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:P-S-U,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b2c:P-S-U, expected U5PS6 to be U5PS4" +mp-1216706,U2PS,-9.3485352075,-1.3153921091,0.000610905,-0.0087283236,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:P-S-U,4.0,ABC2_tP4_123_a_d_bc:P-S-U +mp-37297,U2PS,-9.3491461125,-1.3160030141,0.0,-0.0093392286,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:P-S-U,8.0,ABC2_tI16_141_a_b_e:P-S-U +mp-1216657,U2PS,-9.3472177575,-1.3140746591,0.001928355,-0.0074108736,GGA,R-3m,ABC2_hR12_166_a_b_c:P-S-U,4.0,ABC2_hR12_166_a_b_c:P-S-U +mp-1216822,U3P2S,-9.337790755,-1.19824327,0.0017507767,0.0017507767,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:P-S-U,6.0,A2BC3_hP6_164_d_a_bd:P-S-U +mp-1201721,U(PS3)4,-5.5959702632,-0.7382044727,0.0141329491,0.0141329491,GGA,I4_1/a,A4B12C_tI68_88_f_3f_a:P-S-U,34.0,A4B12C_tI68_88_f_3f_a:P-S-U +mp-1195782,UP2S7,-5.9969669513,-0.8896505421,0.0240175085,0.0240175085,GGA,Fddd,A2B7C_oF160_70_h_e3h_f:P-S-U,40.0,A2B7C_oF160_70_h_e3h_f:P-S-U +mp-1147686,Li10Zn(PS4)4,-4.611786095,-1.1219351217,0.0075125569,0.0075125569,GGA,P1,A10B4C16D_aP62_1_20a_8a_32a_2a:Li-P-S-Zn,62.0,A10B4C16D_aP62_1_20a_8a_32a_2a:Li-P-S-Zn +mp-1147692,Li10Zn(PS4)4,-4.6124773045000005,-1.1226263312,0.0068213473,0.0068213473,GGA,P1,A10B4C16D_aP62_1_20a_8a_32a_2a:Li-P-S-Zn,62.0,A10B4C16D_aP62_1_20a_8a_32a_2a:Li-P-S-Zn +mp-1147693,Li10Zn(PS4)4,-4.6128750577,-1.1230240844,0.0064235941,0.0064235941,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147694,Li10Zn(PS4)4,-4.613921469,-1.1240704957,0.0053771828,0.0053771828,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147695,Li10Zn(PS4)4,-4.614228689,-1.1243777157,0.0050699628,0.0050699628,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147696,Li10Zn(PS4)4,-4.6125292735,-1.1226783002,0.0067693783,0.0067693783,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147697,Li10Zn(PS4)4,-4.6117581842,-1.1219072109,0.0075404677,0.0075404677,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147698,Li10Zn(PS4)4,-4.6136563200000005,-1.1238053467,0.0056423319,0.0056423319,GGA,P1,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn,31.0,A10B4C16D_aP31_1_10a_4a_16a_a:Li-P-S-Zn +mp-1147681,Li10Zn(PS4)4,-4.6119191934,-1.1220682201,0.0073794585,0.0073794585,GGA,Pc,A10B4C16D_mP62_7_10a_4a_16a_a:Li-P-S-Zn,62.0,"Invalid WP multiplicities - A10B4C16D_mP62_7_17a_6a_28a_a:Li-P-S-Zn, expected Li17Zn(P3S14)2 to be Li10Zn(PS4)4" +mp-1147684,Li10Zn(PS4)4,-4.6119341769,-1.1220832036,0.0073644749,0.0073644749,GGA,Pc,A10B4C16D_mP62_7_10a_4a_16a_a:Li-P-S-Zn,62.0,"Invalid WP multiplicities - A10B4C16D_mP62_7_17a_6a_28a_a:Li-P-S-Zn, expected Li17Zn(P3S14)2 to be Li10Zn(PS4)4" +mp-1147685,Li10Zn(PS4)4,-4.6120888476,-1.1222378742,0.0072098043,0.0072098043,GGA,Pc,A10B4C16D_mP62_7_10a_4a_16a_a:Li-P-S-Zn,62.0,"Invalid WP multiplicities - A10B4C16D_mP62_7_17a_6a_28a_a:Li-P-S-Zn, expected Li17Zn(P3S14)2 to be Li10Zn(PS4)4" +mp-1147687,Li10Zn(PS4)4,-4.6122042042,-1.1223532309,0.0070944477,0.0070944477,GGA,Pc,A10B4C16D_mP62_7_10a_4a_16a_a:Li-P-S-Zn,62.0,"Invalid WP multiplicities - A10B4C16D_mP62_7_17a_6a_28a_a:Li-P-S-Zn, expected Li17Zn(P3S14)2 to be Li10Zn(PS4)4" +mp-1147592,Li6Zn3(PS4)4,-4.5565039047,-1.00239439,0.0099322209,0.0099322209,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147593,Li6Zn3(PS4)4,-4.5565143742,-1.0024048595,0.0099217514,0.0099217514,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147594,Li6Zn3(PS4)4,-4.5566893957,-1.002579881,0.0097467299,0.0097467299,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147596,Li6Zn3(PS4)4,-4.5566651316,-1.0025556169,0.009770994,0.009770994,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147598,Li6Zn3(PS4)4,-4.5569994489,-1.0028899342,0.0094366767,0.0094366767,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147600,Li6Zn3(PS4)4,-4.5572055937,-1.003096079,0.0092305319,0.0092305319,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147603,Li6Zn3(PS4)4,-4.5562296149,-1.0021201002,0.0102065107,0.0102065107,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147604,Li6Zn3(PS4)4,-4.5562660509,-1.0021565361,0.0101700747,0.0101700747,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147609,Li6Zn3(PS4)4,-4.5562957392,-1.0021862245,0.0101403864,0.0101403864,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147610,Li6Zn3(PS4)4,-4.5562967919,-1.0021872772,0.0101393337,0.0101393337,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147611,Li6Zn3(PS4)4,-4.5562314833,-1.0021219686,0.0102046423,0.0102046423,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147613,Li6Zn3(PS4)4,-4.5563651236,-1.0022556089,0.010071002,0.010071002,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147614,Li6Zn3(PS4)4,-4.5563330018,-1.0022234871,0.0101031238,0.0101031238,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147616,Li6Zn3(PS4)4,-4.5564506222,-1.0023411075,0.0099855034,0.0099855034,GGA,P1,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn,116.0,A6B4C16D3_aP116_1_24a_16a_64a_12a:Li-P-S-Zn +mp-1147591,Li6Zn3(PS4)4,-4.5574710121,-1.0033614974,0.0089651135,0.0089651135,GGA,P2,A6B4C16D3_mP116_3_a2bc2d9e_8e_32e_ac5e:Li-P-S-Zn,116.0,"Invalid WP multiplicities - A6B4C16D3_mP116_3_2abc2d14e_14e_64e_bc9e:Li-P-S-Zn, expected Li17Zn10(P7S32)2 to be Li6Zn3(PS4)4" +mp-1147605,Li6Zn3(PS4)4,-4.5598649578,-1.005755443,0.0065711678,0.0065711678,GGA,P2_1,A6B4C16D3_mP58_4_6a_4a_16a_3a:Li-P-S-Zn,58.0,"Invalid WP multiplicities - A6B4C16D3_mP58_4_8a_7a_32a_5a:Li-P-S-Zn, expected Li8Zn5P7S32 to be Li6Zn3(PS4)4" +mp-1147606,Li6Zn3(PS4)4,-4.5587478545,-1.0046383398,0.0076882711,0.0076882711,GGA,P2_1,A6B4C16D3_mP58_4_6a_4a_16a_3a:Li-P-S-Zn,58.0,"Invalid WP multiplicities - A6B4C16D3_mP58_4_10a_8a_32a_6a:Li-P-S-Zn, expected Li5Zn3(PS4)4 to be Li6Zn3(PS4)4" +mp-1147617,Li6Zn3(PS4)4,-4.5564943157,-1.002384801,0.0099418099,0.0099418099,GGA,P2_1,A6B4C16D3_mP116_4_12a_8a_32a_6a:Li-P-S-Zn,116.0,"Invalid WP multiplicities - A6B4C16D3_mP116_4_21a_16a_64a_11a:Li-P-S-Zn, expected Li21Zn11(PS4)16 to be Li6Zn3(PS4)4" +mp-1147723,Li4Zn(PS4)2,-4.582877744,-1.0619684757,0.0108706868,0.0108706868,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147725,Li4Zn(PS4)2,-4.5820857427,-1.0611764743,0.0116626882,0.0116626882,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147726,Li4Zn(PS4)2,-4.5818378509,-1.0609285826,0.0119105799,0.0119105799,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147727,Li4Zn(PS4)2,-4.5819118938,-1.0610026254,0.0118365371,0.0118365371,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147729,Li4Zn(PS4)2,-4.5822831662,-1.0613738979,0.0114652646,0.0114652646,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147732,Li4Zn(PS4)2,-4.5822319864,-1.0613227181,0.0115164444,0.0115164444,GGA,P1,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn,45.0,A4B2C8D_aP45_1_12a_6a_24a_3a:Li-P-S-Zn +mp-1147733,Li4Zn(PS4)2,-4.5819117133,-1.061002445,0.0118367175,0.0118367175,GGA,P1,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn,30.0,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn +mp-1147734,Li4Zn(PS4)2,-4.581977902,-1.0610686337,0.0117705288,0.0117705288,GGA,P1,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn,30.0,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn +mp-1147735,Li4Zn(PS4)2,-4.583380775,-1.0624715067,0.0103676558,0.0103676558,GGA,P1,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn,30.0,A4B2C8D_aP30_1_8a_4a_16a_2a:Li-P-S-Zn +mp-1147737,Li4Zn(PS4)2,-4.5822469253,-1.061337657,0.0115015055,0.0115015055,GGA,P1,A4B2C8D_aP15_1_4a_2a_8a_a:Li-P-S-Zn,15.0,A4B2C8D_aP15_1_4a_2a_8a_a:Li-P-S-Zn +mp-1147738,Li4Zn(PS4)2,-4.5797612910000005,-1.0588520227,0.0139871398,0.0139871398,GGA,P1,A4B2C8D_aP120_1_32a_16a_64a_8a:Li-P-S-Zn,120.0,A4B2C8D_aP120_1_32a_16a_64a_8a:Li-P-S-Zn +mp-1147741,Li4Zn(PS4)2,-4.5799280307,-1.0590187624,0.0138204001,0.0138204001,GGA,P1,A4B2C8D_aP120_1_32a_16a_64a_8a:Li-P-S-Zn,120.0,A4B2C8D_aP120_1_32a_16a_64a_8a:Li-P-S-Zn +mp-1147721,Li4Zn(PS4)2,-4.5825882337,-1.0616789653,0.0111601972,0.0111601972,GGA,P2_1,A4B2C8D_mP30_4_4a_2a_8a_a:Li-P-S-Zn,30.0,"Invalid WP multiplicities - A4B2C8D_mP30_4_5a_3a_16a_a:Li-P-S-Zn, expected Li5ZnP3S16 to be Li4Zn(PS4)2" +mp-1147724,Li4Zn(PS4)2,-4.5843131872,-1.0634039188,0.0094352437,0.0094352437,GGA,P2_1,A4B2C8D_mP60_4_8a_4a_16a_2a:Li-P-S-Zn,60.0,"Invalid WP multiplicities - A4B2C8D_mP60_4_11a_7a_32a_3a:Li-P-S-Zn, expected Li11Zn3P7S32 to be Li4Zn(PS4)2" +mp-1147728,Li4Zn(PS4)2,-4.5830485004,-1.0621392321,0.0106999304,0.0106999304,GGA,Pc,A4B2C8D_mP120_7_16a_8a_32a_4a:Li-P-S-Zn,120.0,"Invalid WP multiplicities - A4B2C8D_mP120_7_32a_16a_64a_7a:Li-P-S-Zn, expected Li32Zn7(PS4)16 to be Li4Zn(PS4)2" +mp-1147627,Li10Zn7(PS4)8,-4.5469185782,-0.9753352496,0.0051426499,0.0051426499,GGA,P1,A10B8C32D7_aP57_1_10a_8a_32a_7a:Li-P-S-Zn,57.0,A10B8C32D7_aP57_1_10a_8a_32a_7a:Li-P-S-Zn +mp-1147634,Li10Zn7(PS4)8,-4.5449356619,-0.9733523333,0.0071255662,0.0071255662,GGA,P1,A10B8C32D7_aP114_1_20a_16a_64a_14a:Li-P-S-Zn,114.0,A10B8C32D7_aP114_1_20a_16a_64a_14a:Li-P-S-Zn +mp-1147630,Li10Zn7(PS4)8,-4.5455297485,-0.9739464199,0.0065314796,0.0065314796,GGA,P2_1,A10B8C32D7_mP114_4_10a_8a_32a_7a:Li-P-S-Zn,114.0,"Invalid WP multiplicities - A10B8C32D7_mP114_4_17a_14a_64a_14a:Li-P-S-Zn, expected Li17Zn14(P7S32)2 to be Li10Zn7(PS4)8" +mp-11175,LiZnPS4,-4.5371729414,-0.9474917342,0.0,-0.0096535695,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Li-P-S-Zn,7.0,ABC4D_tI14_82_a_c_g_b:Li-P-S-Zn +mp-1369924,YWO3,-9.5931023435,-2.7401688481,0.2191466768,0.2191466768,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-W-Y,20.0,A3BC_oP20_62_cd_a_c:O-W-Y +mp-1375712,YWO3,-9.422868965,-2.5699354696,0.3893800553,0.3893800553,GGA+U,P6_3cm,A3BC_hP30_185_ab2c_c_ab:O-W-Y,30.0,A3BC_hP30_185_ab2c_c_ab:O-W-Y +mp-1401965,YWO3,-9.407761546,-2.5548280506000003,0.4044874743,0.4044874743,GGA+U,P6_3/mmc,A3BC_hP10_194_bf_c_a:O-W-Y,10.0,A3BC_hP10_194_bf_c_a:O-W-Y +mp-1402304,YWO3,-9.008857254,-2.1559237586,0.8033917663,0.8033917663,GGA+U,Pm-3m,A3BC_cP5_221_c_b_a:O-W-Y,5.0,A3BC_cP5_221_c_b_a:O-W-Y +mp-3629,Y2(WO4)3,-9.2843007772,-2.7450303389,0.0271857707,0.0271857707,GGA+U,Pbcn,A12B3C2_oP68_60_6d_cd_d:O-W-Y,68.0,"Invalid WP multiplicities - A12B3C2_oP68_60_7d_cd_d:O-W-Y, expected Y2W3O14 to be Y2(WO4)3" +mp-559510,Y2WO6,-9.4627066636,-3.2881283609,0.0,-0.0492435048,GGA+U,P2/c,A6BC2_mP36_13_6g_g_efg:O-W-Y,36.0,"Invalid WP multiplicities - A6BC2_mP36_13_21g_g_2ef3g:O-W-Y, expected Y9(WO21)2 to be Y2WO6" +mp-30539,Y2WO6,-9.46196614,-3.2873878373,0.0007405236,-0.0485029812,GGA+U,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:O-W-Y,36.0,"Invalid WP multiplicities - A6BC2_oP36_19_9a_a_2a:O-W-Y, expected Y2WO9 to be Y2WO6" +mp-559085,Y2WO6,-9.4507190601,-3.2761407575,0.0119876035,-0.0372559014,GGA+U,P2_12_12_1,A6BC2_oP72_19_12a_2a_4a:O-W-Y,72.0,A6BC2_oP72_19_12a_2a_4a:O-W-Y +mp-1216117,Y2WO6,-9.3421468728,-3.1675685701,0.1205597908,0.071316286,GGA+U,Pmmn,A6BC2_oP18_59_eg_a_ab:O-W-Y,18.0,A6BC2_oP18_59_eg_a_ab:O-W-Y +mp-1047490,YFe(WO4)2,-9.1394407775,-2.4372522381,0.0622577136,0.0622577136,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Fe-O-W-Y,24.0,AB8C2D_aP12_1_a_8a_2a_a:Fe-O-W-Y +mp-1640734,YFe(WO4)2,-9.1727819192,-2.4705933797,0.028916572,0.028916572,GGA+U,P1,AB8C2D_aP24_1_2a_16a_4a_2a:Fe-O-W-Y,24.0,AB8C2D_aP24_2_i_8i_2i_i:Fe-O-W-Y +mp-1042339,YFe(WO4)2,-9.1752448758,-2.4730563364,0.0264536153,0.0264536153,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Fe-O-W-Y,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_8i_4i_i:Fe-O-W-Y, expected YFe(WO2)4 to be YFe(WO4)2" +mp-556220,Y10W2O21,-9.5014260979,-3.6086553546,0.0093121549,0.0093121549,GGA+U,Pbcn,A21B2C10_oP132_60_3c9d_d_5d:O-W-Y,132.0,"Invalid WP multiplicities - A21B2C10_oP132_60_12c68d_d_28d:O-W-Y, expected Y28WO74 to be Y10W2O21" +mp-19005,Y6WO12,-9.5183221879,-3.670047375,0.0,-0.0136251653,GGA+U,R-3,A12BC6_hR57_148_2f_a_f:O-W-Y,19.0,A12BC6_hR57_148_2f_a_f:O-W-Y +mp-772529,Y2W2O9,-9.2937923227,-2.8807614698,0.0700396499,0.0700396499,GGA+U,P-1,A9B2C2_aP26_2_9i_2i_2i:O-W-Y,26.0,"Invalid WP multiplicities - A9B2C2_aP26_2_17i_3i_3i:O-W-Y, expected Y3W3O17 to be Y2W2O9" +mp-770639,Y2W2O9,-9.3368354067,-2.9238045538,0.0269965659,0.0269965659,GGA+U,P2_1/c,A9B2C2_mP52_14_9e_2e_2e:O-W-Y,52.0,"Invalid WP multiplicities - A9B2C2_mP52_14_33e_3e_7e:O-W-Y, expected Y7(WO11)3 to be Y2W2O9" +mp-772441,Y2W2O9,-9.2954579429,-2.88242709,0.0683740297,0.0683740297,GGA+U,C222_1,A9B2C2_oC104_20_a3b7c_abc_2ac:O-W-Y,52.0,"Invalid WP multiplicities - A9B2C2_oC104_63_a6c6g6h_b2c2g_e2g:O-W-Y, expected Y6W7O43 to be Y2W2O9" +mp-772342,Y2W2O9,-9.2908640356,-2.8778331827,0.072967937,0.072967937,GGA+U,Pbcn,A9B2C2_oP52_60_c4d_d_d:O-W-Y,52.0,"Invalid WP multiplicities - A9B2C2_oP52_60_2c23d_d_d:O-W-Y, expected YWO24 to be Y2W2O9" +mp-1207657,YWO5,-8.9113533179,-2.6030611893,0.1369684218,0.1369684218,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-W-Y,28.0,A5BC_mP28_14_5e_e_e:O-W-Y +mp-1047492,YW3O8,-9.3779210858,-2.3017234614,0.2047713745,0.2047713745,GGA+U,P-1,A8B3C_aP12_2_4i_ai_e:O-W-Y,12.0,"Invalid WP multiplicities - A8B3C_aP12_2_8i_ai_e:O-W-Y, expected YW3O16 to be YW3O8" +mp-1042613,YW3O8,-9.5098304883,-2.4336328639,0.072861972,0.072861972,GGA+U,P2/c,A8B3C_mP24_13_4g_eg_f:O-W-Y,24.0,A8B3C_mP24_13_4g_eg_f:O-W-Y +mp-1323899,Y2W2O7,-9.6192761086,-2.9396375936,0.0284921636,0.0284921636,GGA+U,C2/m,A7B2C2_mC44_12_3i2j_ace_bdf:O-W-Y,22.0,"Invalid WP multiplicities - A7B2C2_mC44_12_5i7j_ade_bcf:O-W-Y, expected Y2W2O19 to be Y2W2O7" +mp-1389093,Y(WO2)2,-9.4751758714,-2.0223920974,0.5280150034000001,0.5280150034000001,GGA+U,C2/c,A4B2C_mC28_15_2f_ac_e:O-W-Y,14.0,A4B2C_mC28_15_2f_ac_e:O-W-Y +mp-1398091,Y(WO2)2,-9.3891543571,-1.9363705831,0.6140365177,0.6140365177,GGA+U,R-3m,A4B2C_hR42_166_ch_ad_c:O-W-Y,14.0,"Invalid WP multiplicities - A4B2C_hR42_166_2c2h_a2d_c:O-W-Y, expected Y2W7O16 to be Y(WO2)2" +mp-1207640,YWO2,-9.0651552888,-1.7356605973,1.1697935746,1.1697935746,GGA+U,I4_1/amd,A2BC_tI32_141_h_c_d:O-W-Y,16.0,A2BC_tI32_141_h_c_d:O-W-Y +mp-1191214,YW2O9,-8.5326143063,-2.1240368084,0.2049187404,0.2049187404,GGA+U,P2_1/m,A9B2C_mP24_11_3e3f_f_e:O-W-Y,24.0,A9B2C_mP24_11_3e3f_f_e:O-W-Y +mp-818626,YW2O9,-8.5029751525,-2.0943976546,0.2345578942,0.2345578942,GGA+U,P2_1/m,A9B2C_mP24_11_3e3f_f_e:O-W-Y,24.0,A9B2C_mP24_11_3e3f_f_e:O-W-Y +mp-865493,VI3,-4.0761494237,-0.7001481437,0.0,-0.1189475112,GGA,P6_3/mmc,A3B_hP8_194_h_c:I-V,8.0,A3B_hP8_194_h_c:I-V +mp-1052892,VI3,-4.0712556025,-0.6952543225000001,0.0048938212,-0.11405369,GGA,Cmcm,A3B_oC16_63_cg_c:I-V,8.0,"Invalid WP multiplicities - A3B_oC16_63_2c3g_c:I-V, expected VI8 to be VI3" +mp-752578,VIO4,-6.5885317979,-1.5311939204,0.0747433515,0.0747433515,GGA+U,C2/m,AB4C_mC48_12_gi_2i3j_hi:I-O-V,24.0,"Invalid WP multiplicities - AB4C_mC48_12_g2i_4i5j_h2i:I-O-V, expected V3I3O14 to be VIO4" +mp-1187728,VI,-4.95545485,0.32318136,0.9043819925,0.9043819925,GGA,P6_3mc,AB_hP4_186_b_b:I-V,4.0,AB_hP4_186_b_b:I-V +mp-554998,LiV(IO4)2,-5.9332840648000005,-1.4738614542,0.001157197,0.001157197,GGA+U,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:I-Li-O-V,48.0,"Invalid WP multiplicities - A2BC8D_mP48_14_4e_e_30e_e:I-Li-O-V, expected LiV(I2O15)2 to be LiV(IO4)2" +mp-1018138,VI2,-4.7851471,-0.7749341767,0.0,-0.1525802711,GGA,P-3m1,A2B_hP3_164_d_a:I-V,3.0,A2B_hP3_164_d_a:I-V +mp-1204378,VIO7,-5.8822431975,-0.8617883754000001,0.3289006604,0.3289006604,GGA+U,P2_1/c,AB7C_mP36_14_e_7e_e:I-O-V,36.0,AB7C_mP36_14_e_7e_e:I-O-V +mp-1208109,VIO7,-5.8809527753,-0.8604979532,0.3301910826,0.3301910826,GGA+U,P2_1/c,AB7C_mP36_14_e_7e_e:I-O-V,36.0,AB7C_mP36_14_e_7e_e:I-O-V +mp-818487,V2S3O14,-7.1168407363,-1.8625879101,0.0504116886,0.0504116886,GGA+U,P4_2/mnm,A14B3C2_tP76_136_i4jk_def_j:O-S-V,76.0,A14B3C2_tP76_136_i4jk_def_j:O-S-V +mp-650816,La5V3S6O7,-8.065697354,-2.7620176438,0.0570579957,0.0570579957,GGA+U,Pmn2_1,A5B7C6D3_oP42_31_5a_7a_6a_3a:La-O-S-V,42.0,"Invalid WP multiplicities - A5B7C6D3_oP42_31_9a_13a_11a_5a:La-O-S-V, expected La9V5S11O13 to be La5V3S6O7" +mp-768637,V2SO8,-7.6505290568,-2.0252770844,0.0684898787,0.0684898787,GGA+U,Pnma,A8BC2_oP44_62_2c3d_c_d:O-S-V,44.0,"Invalid WP multiplicities - A8BC2_oP44_62_6c11d_c_d:O-S-V, expected V2SO28 to be V2SO8" +mp-28207,V2S2O11,-7.3925097798,-2.0022239333,0.0,-0.0429752507,GGA+U,P2_1/c,A11B2C2_mP60_14_11e_2e_2e:O-S-V,60.0,"Invalid WP multiplicities - A11B2C2_mP60_14_14e_2e_2e:O-S-V, expected VSO7 to be V2S2O11" +mp-770389,V2(SO4)3,-7.3793497037,-2.0889128639,0.0,-0.0913914578,GGA+U,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-S-V,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_45e_9e_7e:O-S-V, expected V7(SO5)9 to be V2(SO4)3" +mp-25278,V2(SO4)3,-7.3181383129,-2.0277014732,0.0612113907,-0.0301800671,GGA+U,C2/c,A12B3C2_mC68_15_6f_ef_f:O-S-V,34.0,"Invalid WP multiplicities - A12B3C2_mC68_15_21f_e2f_f:O-S-V, expected V2S5O42 to be V2(SO4)3" +mp-22092,VSO5,-7.5211663732,-2.0991950171,0.0,-0.0083751856,GGA+U,Pnma,A5BC_oP28_62_3cd_c_c:O-S-V,28.0,"Invalid WP multiplicities - A5BC_oP28_62_4c3d_c_c:O-S-V, expected VSO10 to be VSO5" +mp-19277,VSO5,-7.4935753486,-2.0716039924,0.0275910246,0.0192158391,GGA+U,P4/n,A5BC_tP14_85_cg_a_c:O-S-V,28.0,A5BC_tP14_85_cg_a_c:O-S-V +mp-728909,VSO8,-6.3507069122,-1.0713203496,0.4303476004,0.4303476004,GGA+U,P2_1/c,A8BC_mP40_14_8e_e_e:O-S-V,40.0,A8BC_mP40_14_8e_e_e:O-S-V +mp-1208018,VSO8,-6.3198479195,-1.0404613568,0.4612065932,0.4612065932,GGA+U,P2_1/c,A8BC_mP40_14_8e_e_e:O-S-V,40.0,A8BC_mP40_14_8e_e_e:O-S-V +mp-1196443,VSO10,-5.7724708131,-0.5485338923,0.7028560660000001,0.7028560660000001,GGA+U,P2_1/c,A10BC_mP48_14_10e_e_e:O-S-V,48.0,A10BC_mP48_14_10e_e_e:O-S-V +mp-849323,V(SO4)2,-7.0966124825,-1.9211292558,0.0,-0.0009979418,GGA+U,Pbca,A8B2C_oP88_61_8c_2c_c:O-S-V,88.0,"Invalid WP multiplicities - A8B2C_oP88_61_29c_5c_c:O-S-V, expected VS5O29 to be V(SO4)2" +mp-772988,V(SO4)2,-7.0775281564,-1.9020449297,0.0190843261,0.0180863843,GGA+U,R3,A8B2C_hR99_146_8b_2b_3a:O-S-V,33.0,"Invalid WP multiplicities - A8B2C_hR99_146_18b_2b_3a:O-S-V, expected V(SO9)2 to be V(SO4)2" +mp-771320,V(SO4)2,-7.0837861136,-1.9083028869,0.0128263689,0.011828427,GGA+U,R3,A8B2C_hR99_146_8b_2b_3a:O-S-V,33.0,"Invalid WP multiplicities - A8B2C_hR99_146_18b_2b_3a:O-S-V, expected V(SO9)2 to be V(SO4)2" +mp-755951,VSO4,-7.5590182171,-2.0578330868,0.0694655333,0.0694655333,GGA+U,Pnma,A4BC_oP24_62_2cd_c_a:O-S-V,24.0,A4BC_oP24_62_2cd_c_a:O-S-V +mp-26766,V6P7O24,-8.3067461273,-2.6008790182,0.0306539129,0.0306539129,GGA+U,P2_1/m,A24B7C6_mP74_11_2e11f_e3f_3f:O-P-V,74.0,"Invalid WP multiplicities - A24B7C6_mP74_11_4e21f_2e5f_5f:O-P-V, expected V5P6O23 to be V6P7O24" +mp-1217668,Tl6V7P5O31,-7.6068555517,-2.3379358792,0.0,-0.0268597546,GGA+U,Pmn2_1,A31B5C6D7_oP98_31_7a12b_a2b_2a2b_3a2b:O-P-Tl-V,98.0,A31B5C6D7_oP98_31_7a12b_a2b_2a2b_3a2b:O-P-Tl-V +mp-1101365,V9(P2O7)8,-8.0757241777,-2.5771740225,0.0715162168,0.0715162168,GGA+U,P-1,A56B16C9_aP81_2_28i_8i_a4i:O-P-V,81.0,"Invalid WP multiplicities - A56B16C9_aP81_2_55i_15i_a8i:O-P-V, expected V17(P3O11)10 to be V9(P2O7)8" +mp-1244659,V2P3O11,-8.1648171212,-2.6134861535,0.0423211497,0.0423211497,GGA+U,C2,A11B3C2_mC64_5_ab10c_ab2c_2c:O-P-V,32.0,"Invalid WP multiplicities - A11B3C2_mC64_5_ab20c_ab4c_2c:O-P-V, expected V2P5O21 to be V2P3O11" +mp-26932,V2P3O11,-8.1893152716,-2.6379843038,0.0178229994,0.0178229994,GGA+U,C2/c,A11B3C2_mC64_15_e5f_ef_f:O-P-V,32.0,"Invalid WP multiplicities - A11B3C2_mC64_15_2e15f_2ef_f:O-P-V, expected V(PO8)2 to be V2P3O11" +mp-694629,V3(PO4)4,-8.0652975719,-2.4978215886,0.1111501022,0.1111501022,GGA+U,P1,A16B4C3_aP69_1_48a_12a_9a:O-P-V,69.0,A16B4C3_aP69_1_48a_12a_9a:O-P-V +mp-32529,V3(PO4)4,-8.0577716893,-2.490295706,0.1186759848,0.1186759848,GGA+U,P2_1,A16B4C3_mP46_4_16a_4a_3a:O-P-V,46.0,"Invalid WP multiplicities - A16B4C3_mP46_4_31a_8a_6a:O-P-V, expected V6P8O31 to be V3(PO4)4" +mp-26588,V3(PO4)4,-8.1640802163,-2.596604233,0.0123674578,0.0123674578,GGA+U,P2_1/c,A16B4C3_mP46_14_8e_2e_ae:O-P-V,46.0,"Invalid WP multiplicities - A16B4C3_mP46_14_29e_7e_2a2e:O-P-V, expected V3P7O29 to be V3(PO4)4" +mp-1101510,V3(PO4)4,-8.0870130904,-2.5195371071,0.0894345837,0.0894345837,GGA+U,C2/c,A16B4C3_mC92_15_8f_2f_cf:O-P-V,46.0,"Invalid WP multiplicities - A16B4C3_mC92_15_29f_5f_2af:O-P-V, expected V2P5O29 to be V3(PO4)4" +mp-775997,V3P2O11,-8.2914427486,-2.5106990582,0.0623154398,0.0623154398,GGA+U,P2_1/c,A11B2C3_mP64_14_11e_2e_3e:O-P-V,64.0,"Invalid WP multiplicities - A11B2C3_mP64_14_39e_3e_9e:O-P-V, expected V3PO13 to be V3P2O11" +mp-769607,V7(PO4)6,-8.440964556800001,-2.6358919459,0.0198250121,0.0198250121,GGA+U,P-1,A24B6C7_aP37_2_12i_3i_a3i:O-P-V,37.0,"Invalid WP multiplicities - A24B6C7_aP37_2_23i_5i_a5i:O-P-V, expected V11(P5O23)2 to be V7(PO4)6" +mp-1198231,TlVPO6,-7.2752159285,-2.1041065962,0.1228227976,0.1228227976,GGA+U,Pbca,A6BCD_oP72_61_6c_c_c_c:O-P-Tl-V,72.0,A6BCD_oP72_61_6c_c_c_c:O-P-Tl-V +mp-504284,V4P7O24,-8.1704393653,-2.657603054,0.0054405667,0.0054405667,GGA+U,P-1,A24B7C4_aP70_2_24i_7i_4i:O-P-V,70.0,"Invalid WP multiplicities - A24B7C4_aP70_2_47i_13i_7i:O-P-V, expected V7P13O47 to be V4P7O24" +mp-1199208,V(PO4)2,-7.576618005,-2.1689797529,0.2202464838,0.2202464838,GGA+U,P2_1/c,A8B2C_mP44_14_8e_2e_e:O-P-V,44.0,A8B2C_mP44_14_8e_2e_e:O-P-V +mp-32509,V(PO3)4,-7.8379405338,-2.5380946143000003,0.0124859544,0.0124859544,GGA+U,P2_1,A12B4C_mP34_4_12a_4a_a:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mP34_4_23a_6a_a:O-P-V, expected VP6O23 to be V(PO3)4" +mp-26834,V(PO3)4,-7.8324070909,-2.5325611714000003,0.0180193974,0.0180193974,GGA+U,C2/m,A12B4C_mC68_12_gi5j_2j_e:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_12_g2i11j_4j_f:O-P-V, expected VP8O25 to be V(PO3)4" +mp-26802,V(PO3)4,-7.773051609699999,-2.4732056902,0.0773748785,0.0773748785,GGA+U,P2_1/c,A12B4C_mP68_14_12e_4e_e:O-P-V,68.0,"Invalid WP multiplicities - A12B4C_mP68_14_45e_13e_e:O-P-V, expected VP13O45 to be V(PO3)4" +mp-697797,V(PO3)4,-7.8133007965,-2.513454877,0.0371256918,0.0371256918,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_20f_5f_e:O-P-V, expected V(PO4)10 to be V(PO3)4" +mp-765972,V(PO3)4,-7.8282504376,-2.5284045181,0.0221760506,0.0221760506,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_21f_3f_e:O-P-V, expected V(PO7)6 to be V(PO3)4" +mp-26916,V(PO3)4,-7.8140726382,-2.5142267187,0.03635385,0.03635385,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_e:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_3f_e:O-P-V, expected V(P3O19)2 to be V(PO3)4" +mp-32527,V(PO3)4,-7.8173629985,-2.517517079,0.0330634897,0.0330634897,GGA+U,C2/c,A12B4C_mC68_15_6f_2f_c:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_19f_4f_c:O-P-V, expected V(P4O19)2 to be V(PO3)4" +mp-26322,V(PO3)4,-7.8277449682,-2.5278990487,0.02268152,0.02268152,GGA+U,C2/c,A12B4C_mC68_15_2e5f_2f_e:O-P-V,34.0,"Invalid WP multiplicities - A12B4C_mC68_15_4e17f_5f_e:O-P-V, expected V(P5O19)2 to be V(PO3)4" +mp-26956,V(PO3)4,-7.845963714,-2.5461177945,0.0044627743,0.0044627743,GGA+U,Pbcn,A12B4C_oP68_60_6d_2d_c:O-P-V,68.0,"Invalid WP multiplicities - A12B4C_oP68_60_21d_5d_c:O-P-V, expected V(P5O21)2 to be V(PO3)4" +mp-1047927,V3P3O13,-8.2305822897,-2.5569728699,0.0712528424,0.0712528424,GGA+U,P2_1/m,A13B3C3_mP38_11_7e3f_3e_a2e:O-P-V,38.0,"Invalid WP multiplicities - A13B3C3_mP38_11_12e11f_3e_2a3e:O-P-V, expected V5P3O34 to be V3P3O13" +mp-1217594,V4(PO5)3,-8.3698487178,-2.6073095147,0.0008568588,0.0008568588,GGA+U,Fdd2,A15B3C4_oF528_43_a22b_a4b_6b:O-P-V,132.0,A15B3C4_oF528_43_a22b_a4b_6b:O-P-V +mp-28425,V3P4O15,-8.2501373433,-2.6544437567,0.013935566,0.013935566,GGA+U,Pnma,A15B4C3_oP88_62_3c6d_2d_cd:O-P-V,88.0,"Invalid WP multiplicities - A15B4C3_oP88_62_3c9d_2d_cd:O-P-V, expected V3P4O21 to be V3P4O15" +mp-753664,V4P2O13,-8.4062652826,-2.5394662016,0.0190392537,0.0190392537,GGA+U,P1,A13B2C4_aP19_1_13a_2a_4a:O-P-V,19.0,A13B2C4_aP19_1_13a_2a_4a:O-P-V +mp-1201567,V3(PO10)2,-6.5767097026,-1.0962258047,0.6249076571000001,0.6249076571000001,GGA+U,P2_1/c,A20B2C3_mP50_14_10e_e_ae:O-P-V,50.0,A20B2C3_mP50_14_10e_e_ae:O-P-V +mp-705305,V(PO3)3,-7.95436782,-2.581751513,0.0722624579,0.0146027946,GGA+U,P-1,A9B3C_aP52_2_18i_6i_2i:O-P-V,52.0,"Invalid WP multiplicities - A9B3C_aP52_2_33i_8i_4i:O-P-V, expected V4P8O33 to be V(PO3)3" +mp-20435,V(PO3)3,-8.02305914,-2.650442833,0.0035711379,-0.0540885254,GGA+U,Cc,A9B3C_mC52_9_9a_3a_a:O-P-V,26.0,A9B3C_mC52_9_9a_3a_a:O-P-V +mp-15361,V(PO3)3,-8.0266302779,-2.6540139709,0.0,-0.0576596633,GGA+U,Cc,A9B3C_mC156_9_27a_9a_3a:O-P-V,78.0,A9B3C_mC156_9_27a_9a_3a:O-P-V +mp-767740,V(PO3)3,-8.0015582788,-2.6289419718,0.0250719991,-0.0325876642,GGA+U,P2_12_12_1,A9B3C_oP52_19_9a_3a_a:O-P-V,52.0,"Invalid WP multiplicities - A9B3C_oP52_19_33a_9a_a:O-P-V, expected V(P3O11)3 to be V(PO3)3" +mp-26226,V(PO3)3,-8.0115039917,-2.6388876847,0.0151262862,-0.0425333771,GGA+U,P2_12_12_1,A9B3C_oP52_19_9a_3a_a:O-P-V,52.0,"Invalid WP multiplicities - A9B3C_oP52_19_32a_9a_a:O-P-V, expected VP9O32 to be V(PO3)3" +mp-557332,V4(P2O7)3,-8.1331173861,-2.5622818295,0.1195396662,0.1195396662,GGA+U,Pnma,A21B6C4_oP124_62_9c6d_6c_2d:O-P-V,124.0,"Invalid WP multiplicities - A21B6C4_oP124_62_35c43d_21c_12d:O-P-V, expected V24P21O121 to be V4(P2O7)3" +mp-724868,V(PO3)2,-7.1997889628,-1.6897174794,0.9266557862,0.9266557862,GGA+U,C2/c,A6B2C_mC36_15_2e2f_f_e:O-P-V,18.0,A6B2C_mC36_15_2e2f_f_e:O-P-V +mp-883548,V3(P2O7)2,-8.1943361836,-2.5677376029,0.0975107727,0.0975107727,GGA+U,P-1,A14B4C3_aP42_2_14i_4i_3i:O-P-V,42.0,"Invalid WP multiplicities - A14B4C3_aP42_2_27i_7i_5i:O-P-V, expected V5P7O27 to be V3(P2O7)2" +mp-26242,V3(P2O7)2,-8.2596194088,-2.6330208281000003,0.0322275474,0.0322275474,GGA+U,P2_1/c,A14B4C3_mP42_14_7e_2e_ae:O-P-V,42.0,"Invalid WP multiplicities - A14B4C3_mP42_14_27e_3e_2a2e:O-P-V, expected VPO9 to be V3(P2O7)2" +mp-27022,V2P5O16,-8.0458784185,-2.6379938944,0.0047743762,0.0047743762,GGA+U,P2/c,A16B5C2_mP46_13_8g_e2g_g:O-P-V,46.0,"Invalid WP multiplicities - A16B5C2_mP46_13_29g_2e7g_g:O-P-V, expected VP8O29 to be V2P5O16" +mp-934429,V2(PO4)3,-3.5116858524,2.0040779238,4.5798590019,4.5798590019,GGA+U,P-1,A12B3C2_aP34_2_12i_3i_2i:O-P-V,34.0,"Invalid WP multiplicities - A12B3C2_aP34_2_23i_5i_3i:O-P-V, expected V3P5O23 to be V2(PO4)3" +mp-1359598,V2(PO4)3,-7.9593860871,-2.4436223109,0.1321587672,0.1321587672,GGA+U,P-1,A12B3C2_aP34_2_12i_3i_2i:O-P-V,34.0,"Invalid WP multiplicities - A12B3C2_aP34_2_14i_3i_4i:O-P-V, expected V4P3O14 to be V2(PO4)3" +mp-26104,V2(PO4)3,-8.0769679276,-2.5612041515,0.0145769266,0.0145769266,GGA+U,P-1,A12B3C2_aP34_2_12i_3i_2i:O-P-V,34.0,"Invalid WP multiplicities - A12B3C2_aP34_2_24i_3i_3i:O-P-V, expected VPO8 to be V2(PO4)3" +mp-26124,V2(PO4)3,-8.0753023769,-2.5595386007,0.0162424774,0.0162424774,GGA+U,P2_1/c,A12B3C2_mP68_14_12e_3e_2e:O-P-V,68.0,"Invalid WP multiplicities - A12B3C2_mP68_14_47e_11e_3e:O-P-V, expected V3P11O47 to be V2(PO4)3" +mp-26962,V2(PO4)3,-8.0644538021,-2.5486900259,0.0270910522,0.0270910522,GGA+U,R-3c,A12B3C2_hR102_167_2f_e_c:O-P-V,34.0,"Invalid WP multiplicities - A12B3C2_hR102_167_11f_e_c:O-P-V, expected V2(PO22)3 to be V2(PO4)3" +mp-26708,V3(P3O10)2,-8.1027218478,-2.6315043486,0.023499047,0.023499047,GGA+U,C222_1,A20B6C3_oC116_20_10c_3c_2ab:O-P-V,58.0,"Invalid WP multiplicities - A20B6C3_oC116_20_37c_9c_2a3b:O-P-V, expected V5(P9O37)2 to be V3(P3O10)2" +mp-25912,V3(P3O10)2,-8.097738535,-2.6265210359,0.0284823598,0.0284823598,GGA+U,Aea2,A20B6C3_oC116_41_10b_3b_ab:O-P-V,58.0,"Invalid WP multiplicities - A20B6C3_oC116_41_39b_11b_a2b:O-P-V, expected V5(P11O39)2 to be V3(P3O10)2" +mp-769551,V9PO25,-8.3026732091,-2.2787967829,0.0533416879,0.0533416879,GGA+U,I-4,A25BC9_tI70_82_a6g_c_b2g:O-P-V,35.0,"Invalid WP multiplicities - A25BC9_tI70_82_a21g_c_b5g:O-P-V, expected V21PO85 to be V9PO25" +mp-771054,V3(PO4)2,-8.493223545,-2.5200056286,0.0504416371,0.0504416371,GGA+U,P-1,A8B2C3_aP52_2_16i_4i_6i:O-P-V,52.0,"Invalid WP multiplicities - A8B2C3_aP52_2_31i_7i_11i:O-P-V, expected V11P7O31 to be V3(PO4)2" +mp-803453,V3(PO4)2,-4.8621907092,1.1110272072,3.6814744729,3.6814744729,GGA+U,P-1,A8B2C3_aP52_2_16i_4i_6i:O-P-V,52.0,"Invalid WP multiplicities - A8B2C3_aP52_2_31i_7i_11i:O-P-V, expected V11P7O31 to be V3(PO4)2" +mp-1353130,V3(PO4)2,-5.9942063081,-0.0209883917,2.549458874,2.549458874,GGA+U,P-1,A8B2C3_aP52_2_16i_4i_6i:O-P-V,52.0,"Invalid WP multiplicities - A8B2C3_aP52_2_31i_7i_11i:O-P-V, expected V11P7O31 to be V3(PO4)2" +mp-769535,V3(PO4)2,-8.4647329192,-2.4915150028,0.0789322629,0.0789322629,GGA+U,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:O-P-V,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_29e_7e_11e:O-P-V, expected V11P7O29 to be V3(PO4)2" +mp-769580,V3(PO4)2,-8.4898860577,-2.5166681413000003,0.0537791244,0.0537791244,GGA+U,P2_1/c,A8B2C3_mP26_14_4e_e_ae:O-P-V,26.0,A8B2C3_mP26_14_4e_e_ae:O-P-V +mp-770844,V3(PO4)2,-8.4709836579,-2.4977657415,0.0726815242,0.0726815242,GGA+U,P2_1/c,A8B2C3_mP52_14_8e_2e_3e:O-P-V,52.0,"Invalid WP multiplicities - A8B2C3_mP52_14_29e_3e_5e:O-P-V, expected V5P3O29 to be V3(PO4)2" +mp-850528,V3(PO4)2,-8.5284214023,-2.5552034859,0.0152437798,0.0152437798,GGA+U,P2_1/c,A8B2C3_mP26_14_4e_e_ae:O-P-V,26.0,"Invalid WP multiplicities - A8B2C3_mP26_14_4e_e_a2e:O-P-V, expected V5(PO4)2 to be V3(PO4)2" +mp-26636,V2P3O10,-8.2163831633,-2.6247427118,0.0258431307,0.0258431307,GGA+U,P2_1/m,A10B3C2_mP30_11_4e3f_3e_f:O-P-V,30.0,"Invalid WP multiplicities - A10B3C2_mP30_11_7e8f_5e_f:O-P-V, expected V2P5O23 to be V2P3O10" +mp-883520,V4(PO4)3,-8.469407535,-2.5780498332,0.0339103091,0.0339103091,GGA+U,I-42d,A12B3C4_tI76_122_3e_ad_cd:O-P-V,38.0,"Invalid WP multiplicities - A12B3C4_tI76_122_15e_2a3d_2c3d:O-P-V, expected V5(P2O15)2 to be V4(PO4)3" +mp-753579,V2P2O7,-8.3704570473,-2.5867081262,0.0294240152,0.0294240152,GGA+U,C2/m,A7B2C2_mC22_12_aij_i_h:O-P-V,22.0,A7B2C2_mC22_12_aij_i_h:O-P-V +mp-753985,V2P2O7,-8.3751393918,-2.5913904707,0.0247416707,0.0247416707,GGA+U,P2_1/c,A7B2C2_mP22_14_a3e_e_e:O-P-V,22.0,A7B2C2_mP22_14_a3e_e_e:O-P-V +mp-776066,V2P2O7,-8.3016907492,-2.5179418281,0.0981903133,0.0981903133,GGA+U,P4_1,A7B2C2_tP88_76_14a_4a_4a:O-P-V,88.0,"Invalid WP multiplicities - A7B2C2_tP88_76_53a_13a_15a:O-P-V, expected V15P13O53 to be V2P2O7" +mp-767351,V5(P3O11)2,-8.3141585208,-2.6557798227,0.0227981284,0.0227981284,GGA+U,P2_1/c,A22B6C5_mP66_14_11e_3e_a2e:O-P-V,66.0,"Invalid WP multiplicities - A22B6C5_mP66_14_43e_5e_2a4e:O-P-V, expected V5P5O43 to be V5(P3O11)2" +mp-559662,V2P2O9,-8.2299061656,-2.5749357383,0.0192842837,0.0192842837,GGA+U,Pca2_1,A9B2C2_oP104_29_18a_4a_4a:O-P-V,104.0,"Invalid WP multiplicities - A9B2C2_oP104_29_70a_15a_16a:O-P-V, expected V16(P3O14)5 to be V2P2O9" +mp-628951,V2P2O9,-8.2331289981,-2.5781585708,0.0160614512,0.0160614512,GGA+U,Pbcn,A9B2C2_oP52_60_c4d_d_d:O-P-V,52.0,"Invalid WP multiplicities - A9B2C2_oP52_60_3c28d_d_d:O-P-V, expected V2P2O59 to be V2P2O9" +mp-1350503,V2P2O9,-8.2135860479,-2.5586156206,0.0356044013,0.0356044013,GGA+U,Pnma,A9B2C2_oP52_62_5c2d_2c_ac:O-P-V,52.0,"Invalid WP multiplicities - A9B2C2_oP52_62_7c2d_2c_ac:O-P-V, expected V2P2O11 to be V2P2O9" +mp-25203,VPO5,-8.0996619643,-2.4952830882,0.0056868725,-0.0402722468,GGA+U,P-1,A5BC_aP28_2_10i_2i_2i:O-P-V,28.0,"Invalid WP multiplicities - A5BC_aP28_2_19i_3i_3i:O-P-V, expected V3P3O19 to be VPO5" +mp-1100906,VPO5,-8.0980623236,-2.4936834474,0.0072865132,-0.038672606,GGA+U,P-1,A5BC_aP14_2_5i_i_i:O-P-V,14.0,"Invalid WP multiplicities - A5BC_aP14_2_9i_i_i:O-P-V, expected VPO9 to be VPO5" +mp-556459,VPO5,-8.1027505107,-2.4983716346,0.0025983261,-0.0433607932,GGA+U,Cc,A5BC_mC28_9_5a_a_a:O-P-V,14.0,"Invalid WP multiplicities - A5BC_mC28_9_9a_a_a:O-P-V, expected VPO9 to be VPO5" +mp-1046704,VPO5,-8.0961854914,-2.4918066153,0.0091633454,-0.0367957739,GGA+U,Cc,A5BC_mC28_9_5a_a_a:O-P-V,14.0,"Invalid WP multiplicities - A5BC_mC28_9_7a_a_a:O-P-V, expected VPO7 to be VPO5" +mp-698583,VPO5,-8.0919582896,-2.4875794135,0.0133905471,-0.0325685721,GGA+U,Cc,A5BC_mC56_9_10a_2a_2a:O-P-V,28.0,"Invalid WP multiplicities - A5BC_mC56_9_17a_3a_3a:O-P-V, expected V3P3O17 to be VPO5" +mp-1104567,VPO5,-8.087365015,-2.4829861389,0.0179838218,-0.0279752975,GGA+U,C2/m,A5BC_mC28_12_3ij_i_i:O-P-V,14.0,A5BC_mC28_12_3ij_i_i:O-P-V +mp-766127,VPO5,-8.1015793648,-2.4972004887,0.003769472,-0.0421896473,GGA+U,P2_1/c,A5BC_mP56_14_10e_2e_2e:O-P-V,56.0,"Invalid WP multiplicities - A5BC_mP56_14_37e_5e_5e:O-P-V, expected V5P5O37 to be VPO5" +mp-26462,VPO5,-8.0452748857,-2.4408960096,0.0600739511,0.0141148318,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:O-P-V,28.0,"Invalid WP multiplicities - A5BC_mP28_14_18e_e_e:O-P-V, expected VPO18 to be VPO5" +mp-26430,VPO5,-8.0487798061,-2.4444009299,0.0565690307,0.0106099115,GGA+U,C2/c,A5BC_mC56_15_5f_f_ce:O-P-V,28.0,"Invalid WP multiplicities - A5BC_mC56_15_18f_f_c2e:O-P-V, expected V3(PO18)2 to be VPO5" +mp-724566,VPO5,-8.0468113729,-2.4424324967,0.0585374639,0.0125783447,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:O-P-V,14.0,A5BC_mC28_15_e2f_e_c:O-P-V +mp-1216303,VPO5,-8.0534444964,-2.4490656203,0.0519043404,0.0059452211,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:O-P-V,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e4f_e_c:O-P-V, expected VPO9 to be VPO5" +mp-770892,VPO5,-8.0765391093,-2.4721602332,0.0288097275,-0.0171493918,GGA+U,Pna2_1,A5BC_oP56_33_10a_2a_2a:O-P-V,56.0,"Invalid WP multiplicities - A5BC_oP56_33_37a_5a_5a:O-P-V, expected V5P5O37 to be VPO5" +mp-1372210,VPO5,-8.0127018029,-2.4083229267,0.0926470339,0.0466879147,GGA+U,Fdd2,A5BC_oF112_43_5b_b_b:O-P-V,28.0,"Invalid WP multiplicities - A5BC_oF112_43_14b_b_b:O-P-V, expected VPO14 to be VPO5" +mp-25265,VPO5,-8.1053488368,-2.5009699607,0.0,-0.0459591193,GGA+U,Pnma,A5BC_oP28_62_3cd_c_c:O-P-V,28.0,"Invalid WP multiplicities - A5BC_oP28_62_10c4d_c_c:O-P-V, expected VPO18 to be VPO5" +mp-763482,VPO5,-8.095473116400001,-2.4910942403,0.0098757204,-0.0360833989,GGA+U,P4/n,A5BC_tP14_85_cg_a_c:O-P-V,14.0,"Invalid WP multiplicities - A5BC_tP14_85_2c3g_a_c:O-P-V, expected VPO14 to be VPO5" +mp-559299,VPO5,-8.08893073,-2.4845518539,0.0164181068,-0.0295410125,GGA+U,P4/n,A5BC_tP14_85_cg_a_c:O-P-V,14.0,"Invalid WP multiplicities - A5BC_tP14_85_2c2g_a_c:O-P-V, expected VPO10 to be VPO5" +mp-19000,VPO5,-8.0906642593,-2.4862853832000003,0.0146845775,-0.0312745418,GGA+U,P4/nmm,A5BC_tP14_129_ci_a_c:O-P-V,14.0,"Invalid WP multiplicities - A5BC_tP14_129_c2i_a_c:O-P-V, expected VPO9 to be VPO5" +mp-554181,VPO5,-8.105186743,-2.5008078669,0.0001620938,-0.0457970255,GGA+U,P4_2/mbc,A5BC_tP56_135_h2i_bd_h:O-P-V,56.0,"Invalid WP multiplicities - A5BC_tP56_135_6h18i_2b2d_h:O-P-V, expected V(PO21)2 to be VPO5" +mp-1203268,VPO7,-6.9396317092,-1.481406203,0.4637926553,0.4637926553,GGA+U,P-1,A7BC_aP36_2_14i_2i_2i:O-P-V,36.0,A7BC_aP36_2_14i_2i_2i:O-P-V +mp-738365,VPO7,-6.9163392067,-1.4581137005,0.4870851578,0.4870851578,GGA+U,P2_1/c,A7BC_mP36_14_7e_e_e:O-P-V,36.0,A7BC_mP36_14_7e_e_e:O-P-V +mp-1203184,VPO7,-7.0208082044,-1.5625826983,0.38261616,0.38261616,GGA+U,P2_1/c,A7BC_mP36_14_7e_e_e:O-P-V,36.0,A7BC_mP36_14_7e_e_e:O-P-V +mp-1188916,VPO7,-6.9108715989,-1.4526460927,0.4925527656,0.4925527656,GGA+U,P4/nmm,A7BC_tP18_129_a2ci_b_c:O-P-V,18.0,A7BC_tP18_129_a2ci_b_c:O-P-V +mp-883522,V(PO3)5,-7.6374481643,-2.3826505799,0.0887332392,0.0887332392,GGA+U,Pc,A15B5C_mP42_7_15a_5a_a:O-P-V,42.0,"Invalid WP multiplicities - A15B5C_mP42_7_30a_10a_a:O-P-V, expected V(PO3)10 to be V(PO3)5" +mp-26152,V(PO3)5,-7.6695895155,-2.4147919311,0.056591888,0.056591888,GGA+U,P2_1/m,A15B5C_mP42_11_3e6f_e2f_a:O-P-V,42.0,"Invalid WP multiplicities - A15B5C_mP42_11_5e12f_e4f_a:O-P-V, expected VP9O29 to be V(PO3)5" +mp-1282726,V2PO5,-8.645057165,-2.6057373896,0.0004402769,-0.0142729514,GGA+U,C2/c,A5BC2_mC32_15_e2f_e_ac:O-P-V,16.0,"Invalid WP multiplicities - A5BC2_mC32_15_e6f_e_2ac:O-P-V, expected V3PO13 to be V2PO5" +mp-19007,V2PO5,-8.6454974419,-2.6061776665,0.0,-0.0147132283,GGA+U,I4_1/amd,A5BC2_tI32_141_ah_b_c:O-P-V,16.0,A5BC2_tI32_141_ah_b_c:O-P-V +mp-1178774,VP2O7,-7.8152606115,-2.3615274053,0.266621455,0.2444942379,GGA+U,P1,A7B2C_aP20_1_14a_4a_2a:O-P-V,20.0,A7B2C_aP20_1_14a_4a_2a:O-P-V +mp-1365117,VP2O7,-7.952946639,-2.4992134328,0.1289354275,0.1068082104,GGA+U,P1,A7B2C_aP40_1_28a_8a_4a:O-P-V,40.0,A7B2C_aP40_1_28a_8a_4a:O-P-V +mp-705024,VP2O7,-8.0143122718,-2.5605790655,0.0675697947,0.0454425777,GGA+U,P-1,A7B2C_aP40_2_14i_4i_2i:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_aP40_2_27i_7i_2i:O-P-V, expected V2P7O27 to be VP2O7" +mp-540363,VP2O7,-7.985413198,-2.5316799918,0.0964688685,0.0743416514,GGA+U,P-1,A7B2C_aP20_2_7i_2i_i:O-P-V,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_2i_i:O-P-V, expected VP2O13 to be VP2O7" +mp-26728,VP2O7,-8.0818820665,-2.6281488603,0.0,-0.0221272171,GGA+U,P-1,A7B2C_aP20_2_7i_2i_i:O-P-V,20.0,"Invalid WP multiplicities - A7B2C_aP20_2_13i_3i_i:O-P-V, expected VP3O13 to be VP2O7" +mp-25294,VP2O7,-8.0800570095,-2.6263238033,0.001825057,-0.0203021601,GGA+U,P2_1,A7B2C_mP20_4_7a_2a_a:O-P-V,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_14a_4a_a:O-P-V, expected V(P2O7)2 to be VP2O7" +mp-26252,VP2O7,-8.0491845555,-2.5954513493,0.032697511,0.0105702939,GGA+U,C2,A7B2C_mC20_5_a3c_c_b:O-P-V,20.0,A7B2C_mC20_5_a3c_c_b:O-P-V +mp-26888,VP2O7,-8.052466805,-2.5987335988,0.0294152615,0.0072880444,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_3e_e:O-P-V, expected V(PO9)3 to be VP2O7" +mp-26818,VP2O7,-8.0792638142,-2.625530608,0.0026182523,-0.0195089648,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_24e_4e_e:O-P-V, expected V(PO6)4 to be VP2O7" +mp-25850,VP2O7,-7.9762634545,-2.5225302483,0.105618612,0.0834913949,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_23e_7e_e:O-P-V, expected VP7O23 to be VP2O7" +mp-26524,VP2O7,-8.0771121665,-2.6233789603,0.0047699,-0.0173573171,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_27e_3e_e:O-P-V, expected V(PO9)3 to be VP2O7" +mp-1048335,VP2O7,-7.9447185663,-2.49098536,0.1371635002,0.1150362832,GGA+U,P2_1/c,A7B2C_mP40_14_7e_2e_e:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mP40_14_28e_5e_e:O-P-V, expected VP5O28 to be VP2O7" +mp-26228,VP2O7,-8.0505536508,-2.5968204445,0.0313284158,0.0092011987,GGA+U,C2/c,A7B2C_mC80_15_7f_2f_f:O-P-V,40.0,"Invalid WP multiplicities - A7B2C_mC80_15_22f_6f_f:O-P-V, expected V(P3O11)2 to be VP2O7" +mp-18942,VP2O7,-8.040698854,-2.5869656478,0.0411832125,0.0190559954,GGA+U,C2/c,A7B2C_mC40_15_e3f_f_e:O-P-V,20.0,A7B2C_mC40_15_e3f_f_e:O-P-V +mp-558363,VP2O7,-7.976012708,-2.5222795018,0.1058693585,0.0837421414,GGA+U,I-42d,A7B2C_tI40_122_ade_d_b:O-P-V,20.0,"Invalid WP multiplicities - A7B2C_tI40_122_2a4d4e_d_b:O-P-V, expected V(PO13)2 to be VP2O7" +mp-705008,V4P9O32,-7.8763581176,-2.4685939931,0.0572981168,0.0572981168,GGA+U,P-42_1c,A32B9C4_tP90_114_8e_a2e_e:O-P-V,90.0,"Invalid WP multiplicities - A32B9C4_tP90_114_54e_2a10e_e:O-P-V, expected V2(P7O36)3 to be V4P9O32" +mp-1044910,VPO4,-8.2459823712,-2.5319884676,0.1699162404,0.1132624014,GGA+U,C2/c,A4BC_mC96_15_8f_2f_cef:O-P-V,48.0,"Invalid WP multiplicities - A4BC_mC96_15_30f_6f_2ce2f:O-P-V, expected V7(PO5)12 to be VPO4" +mp-26110,VPO4,-8.3892785962,-2.6752846926,0.0266200154,-0.0300338236,GGA+U,Pnma,A4BC_oP24_62_2cd_c_c:O-P-V,24.0,"Invalid WP multiplicities - A4BC_oP24_62_4c2d_c_c:O-P-V, expected VPO8 to be VPO4" +mp-767632,VPO4,-8.4112292225,-2.6972353189,0.0046693892,-0.0519844499,GGA+U,Pnma,A4BC_oP24_62_2cd_c_a:O-P-V,24.0,A4BC_oP24_62_2cd_c_a:O-P-V +mp-18835,VPO4,-8.4158986117,-2.7019047081,0.0,-0.056653839,GGA+U,Cmcm,A4BC_oC24_63_fg_c_a:O-P-V,24.0,A4BC_oC24_63_fg_c_a:O-P-V +mp-861444,VPO4,-8.339480525799999,-2.6254866222,0.0764180858,0.0197642468,GGA+U,R-3c,A4BC_hR108_167_2f_e_bc:O-P-V,36.0,"Invalid WP multiplicities - A4BC_hR108_167_13f_e_2b2c:O-P-V, expected V2PO26 to be VPO4" +mp-34042,KY3F10,-6.92904293,-4.0987142184,0.1668641854,0.1581142948,GGA,R3m,A10BC3_hR42_160_abc_a_b:F-K-Y,14.0,"Invalid WP multiplicities - A10BC3_hR42_160_a2b3c_a_b:F-K-Y, expected KY3F25 to be KY3F10" +mp-2943,KY3F10,-7.0959071154,-4.2655784038,0.0,-0.0087498905,GGA,Fm-3m,A10BC3_cF112_225_fh_c_e:F-K-Y,28.0,A10BC3_cF112_225_fh_c_e:F-K-Y +mp-13230,K3YF6,-5.720462942,-3.5938087661,0.0,-0.0027411077,GGA,P2_1/c,A6B3C_mP20_14_3e_ae_d:F-K-Y,20.0,A6B3C_mP20_14_3e_ae_b:F-K-Y +mp-1110843,K3YF6,-5.649809029,-3.5231548531,0.070653913,0.0679128053,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Y,10.0,A6B3C_cF40_225_e_ac_b:F-K-Y +mp-1112320,K2YAuF6,-5.318470298,-2.9754678168,0.2431451075,0.2431451075,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Au-F-K-Y +mp-1211492,KY2F7,-6.930739475,-4.1883700804,0.0,-0.0009093282,GGA,C2/m,A7BC2_mC80_12_g5i4j_2i_hij:F-K-Y,40.0,"Invalid WP multiplicities - A7BC2_mC80_12_g10i7j_3i_hij:F-K-Y, expected K3Y4F25 to be KY2F7" +mp-28726,KYF4,-6.5423172202,-4.0051862318,0.0,-0.0094897684,GGA,P3_1,A4BC_hP108_144_24a_6a_6a:F-K-Y,108.0,A4BC_hP108_144_24a_6a_6a:F-K-Y +mp-1198717,KYF4,-6.5422232176,-4.0050922292,9.40026e-05,-0.0093957658,GGA,P3_2,A4BC_hP108_145_24a_6a_6a:F-K-Y,108.0,A4BC_hP108_145_24a_6a_6a:F-K-Y +mp-17077,K2YF5,-6.0354374228,-3.7548544422,0.0,-0.0067791265,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Y,32.0,A5B2C_oP32_62_3cd_d_c:F-K-Y +mp-1203949,UI4O15,-5.6395033009,-1.0702429969,0.2069866884,0.2069866884,GGA,Pbcn,A4B15C_oP80_60_2d_c7d_c:I-O-U,80.0,A4B15C_oP80_60_2d_c7d_c:I-O-U +mp-559573,UAgIO6,-7.0053618404,-1.974532437,0.0346589279,0.0346589279,GGA,P2_1/c,ABC6D_mP144_14_4e_4e_24e_4e:Ag-I-O-U,144.0,"Invalid WP multiplicities - ABC6D_mP144_14_12e_13e_94e_12e:Ag-I-O-U, expected U12Ag12I13O94 to be UAgIO6" +mp-726390,UI2O9,-6.4039310148,-1.5074025889,0.1710728486,0.1710728486,GGA,Pbcn,A2B9C_oP48_60_d_c4d_c:I-O-U,48.0,A2B9C_oP48_60_d_c4d_c:I-O-U +mp-1206793,U2I2O,-6.819782912,-0.7245346257,1.0329511791,1.0329511791,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-O-U,5.0,A2BC2_tP5_123_g_a_g:I-O-U +mp-30143,U(IO4)2,-6.7230325136,-1.8310641136,0.0,-0.0260256961,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:I-O-U,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_5e_a:I-O-U, expected U(IO5)2 to be U(IO4)2" +mp-753727,Y3I7O,-5.2037071886,-2.0528284158,0.0668982241,0.0668982241,GGA,P6_3mc,A7BC3_hP22_186_b2c_a_c:I-O-Y,22.0,"Invalid WP multiplicities - A7BC3_hP22_186_2b9c_a_c:I-O-Y, expected Y3I29O to be Y3I7O" +mp-753712,YIO,-7.3755581733,-3.0800494485,0.0,-0.0915117135,GGA,P4/nmm,ABC_tP6_129_c_a_c:I-O-Y,6.0,ABC_tP6_129_c_a_c:I-O-Y +mp-754038,YIO,-7.31121454,-3.0157058151,0.0643436333,-0.0271680801,GGA,R-3m,ABC_hR18_166_c_c_c:I-O-Y,6.0,ABC_hR18_166_c_c_c:I-O-Y +mp-581868,NaY(IO3)4,-5.5171393458,-1.4592101046,0.0,-0.0095128536,GGA,Cc,A4BC12D_mC144_9_8a_2a_24a_2a:I-Na-O-Y,72.0,"Invalid WP multiplicities - A4BC12D_mC144_9_14a_4a_47a_2a:I-Na-O-Y, expected Na4Y2I14O47 to be NaY(IO3)4" +mp-1203825,YIO9,-5.2502466241,-0.4811524546,0.7093442048,0.7093442048,GGA,P2_1/c,AB9C_mP44_14_e_9e_e:I-O-Y,44.0,AB9C_mP44_14_e_9e_e:I-O-Y +mp-560995,Y(IO3)3,-5.7565185427,-1.4944594223,0.0,-0.1072639363,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Y,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_10e_33e_e:I-O-Y, expected YI10O33 to be Y(IO3)3" +mp-561108,Y(IO3)3,-5.7442752535,-1.4822161331,0.0122432892,-0.0950206471,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:I-O-Y,52.0,"Invalid WP multiplicities - A3B9C_mP52_14_9e_36e_e:I-O-Y, expected Y(IO4)9 to be Y(IO3)3" +mp-1193418,YI3O11,-5.3733853833000005,-1.0200423175,0.2751558485,0.2751558485,GGA,P-1,A3B11C_aP30_2_3i_11i_i:I-O-Y,30.0,A3B11C_aP30_2_3i_11i_i:I-O-Y +mp-1193563,YI3O11,-5.366462643,-1.0131195772,0.2820785888,0.2820785888,GGA,P-1,A3B11C_aP30_2_3i_11i_i:I-O-Y,30.0,A3B11C_aP30_2_3i_11i_i:I-O-Y +mp-28553,Ca2IN,-4.82661147,-1.3713462112,0.0,-0.0649088766,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Ca-I-N,8.0,A2BC_hP8_194_f_c_a:Ca-I-N +mp-1078208,Ca(IN3)2,-4.5927575589,1.5151648999999998,2.1671206098,2.1671206098,GGA,Fm-3m,AB2C6_cF36_225_a_c_e:Ca-I-N,9.0,AB2C6_cF36_225_a_c_e:Ca-I-N +mp-1195197,Ca3BI3N2,-5.4108141706,-1.6564496916,0.0,-0.0237956253,GGA,R32,AB3C3D2_hR108_155_ad_2ef_2df_cf:B-Ca-I-N,36.0,AB3C3D2_hR108_155_ad_2ef_2df_cf:B-Ca-I-N +mp-1247878,B40H51F3,-4.8760307161,-0.131997354,0.1805542464,0.1805542464,GGA,P1,A40B3C51_aP94_1_40a_3a_51a:B-F-H,94.0,A40B3C51_aP94_1_40a_3a_51a:B-F-H +mp-1247922,B40H51F3,-4.6474515153,0.0965818467,0.4091334472,0.4091334472,GGA,P1,A40B3C51_aP94_1_40a_3a_51a:B-F-H,94.0,A40B3C51_aP94_1_40a_3a_51a:B-F-H +mp-861500,PrB2HF10,-6.2451706332,-3.3417988463,0.0,-0.0562486902,GGA,P2_1/m,A2B10CD_mP28_11_2e_a5e2f_e_e:B-F-H-Pr,28.0,"Invalid WP multiplicities - A2B10CD_mP28_11_3e_a10e4f_e_e:B-F-H-Pr, expected PrB3HF19 to be PrB2HF10" +mp-1182442,BO2F3,-5.8335211542,-2.1156534715,0.0,-0.0407662431,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:B-F-O,24.0,AB3C2_mP24_14_e_3e_2e:B-F-O +mp-1199169,Er5B2(O2F3)3,-7.8152745818,-4.038873647,0.0220329468,0.0220329468,GGA,C2/c,A2B5C9D6_mC88_15_f_e2f_e4f_3f:B-Er-F-O,44.0,A2B5C9D6_mC88_15_f_e2f_e4f_3f:B-Er-F-O +mp-1192964,YN3O10,-6.9687937386000005,-1.1871620957,0.1630591224,0.1630591224,GGA,P-1,A3B10C_aP28_2_3i_10i_i:N-O-Y,28.0,A3B10C_aP28_2_3i_10i_i:N-O-Y +mp-1204820,Y(NO4)3,-6.3579552578000005,-0.6806914814,0.5007520845,0.5007520845,GGA,P-1,A3B12C_aP32_2_3i_12i_i:N-O-Y,32.0,A3B12C_aP32_2_3i_12i_i:N-O-Y +mp-780722,Y6N2O5,-9.1481627077,-2.9785273164,0.1419920295,0.1419920295,GGA,C2/m,A2B5C6_mC26_12_i_a2i_3i:N-O-Y,13.0,"Invalid WP multiplicities - A2B5C6_mC26_12_i_a4i_5i:N-O-Y, expected Y10N2O9 to be Y6N2O5" +mp-1216049,YNO4,-7.89516866,-2.1302151794,0.0232022828,0.0232022828,GGA,Aem2,AB4C_oC24_39_c_acd_c:N-O-Y,12.0,AB4C_oC24_39_c_acd_c:N-O-Y +mp-1100878,YNO4,-7.9078683537,-2.1429148732,0.0105025891,0.0105025891,GGA,Pcca,AB4C_oP24_54_c_cdf_c:N-O-Y,24.0,"Invalid WP multiplicities - AB4C_oP24_54_c_4c3d6f_c:N-O-Y, expected YNO19 to be YNO4" +mp-1020671,Y(NO3)3,-7.299942411,-1.4540843887,0.0,-0.1326374332,GGA,P2_1/c,A3B9C_mP52_14_3e_9e_e:N-O-Y,52.0,A3B9C_mP52_14_3e_9e_e:N-O-Y +mp-1178776,YN3O14,-6.1782634419,-0.5821746727,0.4679973858,0.4679973858,GGA,P-1,A3B14C_aP36_2_3i_14i_i:N-O-Y,36.0,A3B14C_aP36_2_3i_14i_i:N-O-Y +mp-1197379,YN3O14,-6.1401979064,-0.5441091372,0.5060629213,0.5060629213,GGA,P-1,A3B14C_aP36_2_3i_14i_i:N-O-Y,36.0,A3B14C_aP36_2_3i_14i_i:N-O-Y +mp-1208783,Y6N8O49,-6.277860867,-0.7559793919000001,0.5695066545,0.5695066545,GGA,P-1,A8B49C6_aP63_2_4i_a24i_3i:N-O-Y,63.0,A8B49C6_aP63_2_4i_a24i_3i:N-O-Y +mp-1203981,Y2N6O25,-6.3826954292,-0.7275702911,0.4180719545,0.4180719545,GGA,C222_1,A6B25C2_oC132_20_2a2c_2ab11c_ab:N-O-Y,66.0,A6B25C2_oC132_20_2a2c_2ab11c_ab:N-O-Y +mp-849583,YNb2NO5,-9.6046286872,-2.9669598345,0.0596749622,0.0596749622,GGA,P1,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y,36.0,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y +mp-776359,YNb2NO5,-9.6003063856,-2.9626375328,0.0639972639,0.0639972639,GGA,P1,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y,36.0,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y +mp-776408,YNb2NO5,-9.5925639008,-2.9548950481,0.0717397486,0.0717397486,GGA,P1,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y,36.0,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y +mp-775939,YNb2NO5,-9.5848004947,-2.947131642,0.0795031547,0.0795031547,GGA,P1,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y,36.0,AB2C5D_aP36_1_4a_8a_20a_4a:N-Nb-O-Y +mp-782062,YNb2NO5,-9.5828765986,-2.9452077459,0.0814270508,0.0814270508,GGA,P-1,AB2C5D_aP36_2_2i_4i_10i_2i:N-Nb-O-Y,36.0,"Invalid WP multiplicities - AB2C5D_aP36_2_3i_7i_19i_2i:N-Nb-O-Y, expected Y2Nb7N3O19 to be YNb2NO5" +mp-782034,YNb2NO5,-9.5790542239,-2.9413853712,0.0852494256,0.0852494256,GGA,P2_1,AB2C5D_mP36_4_2a_4a_10a_2a:N-Nb-O-Y,36.0,"Invalid WP multiplicities - AB2C5D_mP36_4_2a_8a_19a_4a:N-Nb-O-Y, expected Y4Nb8N2O19 to be YNb2NO5" +mp-849365,YNb2NO5,-9.5904049078,-2.952736055,0.0738987417,0.0738987417,GGA,Pc,AB2C5D_mP36_7_2a_4a_10a_2a:N-Nb-O-Y,36.0,"Invalid WP multiplicities - AB2C5D_mP36_7_2a_6a_18a_3a:N-Nb-O-Y, expected Y3Nb6(NO9)2 to be YNb2NO5" +mp-776443,YNb2NO5,-9.5795110147,-2.941842162,0.0847926347,0.0847926347,GGA,Pc,AB2C5D_mP36_7_2a_4a_10a_2a:N-Nb-O-Y,36.0,"Invalid WP multiplicities - AB2C5D_mP36_7_2a_6a_19a_3a:N-Nb-O-Y, expected Y3Nb6N2O19 to be YNb2NO5" +mp-1213463,KY3O6,-5.118802172,-0.0998077165,3.1578426048,3.1578426048,GGA,Cmmm,AB6C3_oC20_65_a_kp_de:K-O-Y,10.0,AB6C3_oC20_65_a_kp_de:K-O-Y +mp-16763,KYTe2,-5.084337655,-1.6184671933,0.0,-0.1279895141,GGA,R-3m,AB2C_hR12_166_a_c_b:K-Te-Y,4.0,AB2C_hR12_166_a_c_b:K-Te-Y +mp-1194980,KY(TeO3)2,-6.6670409005,-2.3126794891,0.0,-0.0328148933,GGA,Pnma,AB6C2D_oP40_62_c_2c2d_2c_c:K-O-Te-Y,40.0,AB6C2D_oP40_62_c_2c2d_2c_c:K-O-Te-Y +mp-756541,K6YO4,-4.7188650323,-1.7265359741,0.0799784388,0.0799784388,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:K-O-Y,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_9c_2b3c_b:K-O-Y, expected K27YO11 to be K6YO4" +mp-8409,KYO2,-7.4594740675,-3.0919121968,0.0,-0.1124875429,GGA,R-3m,AB2C_hR12_166_a_c_b:K-O-Y,4.0,AB2C_hR12_166_a_c_b:K-O-Y +mp-769176,K5YO4,-5.1676879235,-1.9871658542,0.0,-0.0014313845,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:K-O-Y,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:K-O-Y, expected K17YO13 to be K5YO4" +mp-769262,K5YO4,-5.1569622755,-1.9764402062,0.010725648,0.0092942635,GGA,Pbca,A5B4C_oP80_61_5c_4c_c:K-O-Y,80.0,"Invalid WP multiplicities - A5B4C_oP80_61_17c_13c_c:K-O-Y, expected K17YO13 to be K5YO4" +mp-1184945,KYO3,-6.75570838,-2.2723211412,0.2712960479,0.2712960479,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-Y,5.0,AB3C_cP5_221_a_c_b:K-O-Y +mp-540610,K2U7O22,-9.6058572487,-3.4739921,0.0384708773,0.0384708773,GGA,Pbam,A2B22C7_oP62_55_g_e2g4h2i_bg2h:K-O-U,62.0,A2B22C7_oP62_55_g_e2g4h2i_bg2h:K-O-U +mp-3808,K2UO4,-7.8236583914,-3.066663713,0.0,-0.0661504438,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:K-O-U,7.0,A2B4C_tI14_139_e_ce_a:K-O-U +mp-4126,KUO3,-8.78844244,-3.3400674219,0.0,-0.068015092,GGA,Pm-3m,AB3C_cP5_221_a_c_b:K-O-U,5.0,AB3C_cP5_221_a_c_b:K-O-U +mp-867366,K2U2O5,-8.50879599,-3.0046780489,0.1013457752,0.1013457752,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:K-O-U,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_ab_c2i_h:K-O-U, expected K2U2O9 to be K2U2O5" +mp-8794,K4UO5,-6.6853546395,-2.6387097041,0.0,-0.1175603095,GGA,P-1,A4B5C_aP20_2_bc3i_5i_i:K-O-U,20.0,"Invalid WP multiplicities - A4B5C_aP20_2_bc5i_5i_i:K-O-U, expected K6UO5 to be K4UO5" +mp-675710,K2U2O7,-8.7270637827,-3.3242966107,0.0051289905,-0.0589165991,GGA,P-1,A2B7C2_aP22_2_2i_7i_abi:K-O-U,22.0,"Invalid WP multiplicities - A2B7C2_aP22_2_4i_12i_abi:K-O-U, expected K2UO6 to be K2U2O7" +mp-29361,K2U2O7,-8.7321927732,-3.3294256011,0.0,-0.0640455895,GGA,P2_1,A2B7C2_mP22_4_2a_7a_2a:K-O-U,22.0,A2B7C2_mP22_4_2a_7a_2a:K-O-U +mp-1224109,K2U2O7,-8.67075704,-3.2679898679,0.0614357332,-0.0026098564,GGA,Pm,A2B7C2_mP11_6_ab_3a4b_ab:K-O-U,11.0,A2B7C2_mP11_6_ab_3a4b_ab:K-O-U +mp-674522,K6U4O15,-8.1188134276,-3.077678852,0.1046000918,0.1046000918,GGA,C222,A6B15C4_oC150_21_ef2i2jkl_abci10l_gh2kl:K-O-U,75.0,"Invalid WP multiplicities - A6B15C4_oC150_21_2e2f4i4j2k4l_abc2i36l_2g2h4k4l:K-O-U, expected K44U32O151 to be K6U4O15" +mp-22634,K4SrU3O12,-8.229728385,-3.2614491947,0.0,-0.0126404161,GGA,Im-3m,A4B12CD3_cI40_229_c_de_a_b:K-O-Sr-U,20.0,"Invalid WP multiplicities - A4B12CD3_cI40_229_c_2d3e_a_b:K-O-Sr-U, expected K4SrU3O30 to be K4SrU3O12" +mp-1028288,Mg14VW,-2.5797314606,0.1981408519,0.2227938641,0.2227938641,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-V-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-V-W, expected Mg18VW to be Mg14VW" +mp-1028279,Mg14VW,-2.5475199969,0.2303523156,0.2550053278,0.2550053278,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-V-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-V-W, expected Mg26VW to be Mg14VW" +mp-1021689,Mg6VW,-3.6497849625,0.3056796125,0.3366014887,0.3366014887,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-V-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-V-W, expected Mg12VW to be Mg6VW" +mp-1099302,Mg6VW,-3.5664084075,0.3890561675,0.4199780437,0.4199780437,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-V-W,8.0,A6BC_oC16_38_2bde_a_a:Mg-V-W +mp-1246743,Mg2V3WS8,-6.6095420407,-1.1451129354,0.2317870604,0.2317870604,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-V-W,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-V-W, expected Mg2V3WS16 to be Mg2V3WS8" +mp-1246551,MgVWS4,-6.7500079857,-1.0088485832,0.3161311062,0.3161311062,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-V-W,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-V-W, expected MgVWS12 to be MgVWS4" +mp-1247252,Mg2VW3S8,-7.05274621,-1.0348565104,0.2382028727,0.2382028727,GGA,R3m,A2B8CD3_hR42_160_2a_2a2b_a_b:Mg-S-V-W,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_160_2a_2a6b_a_b:Mg-S-V-W, expected Mg2VW3S20 to be Mg2VW3S8" +mp-558707,K2UAs2O9,-7.2663491696,-2.4555889471,0.0,-0.0352583552,GGA,Pmmn,A2B2C9D_oP56_59_ef_ef_abef3g_c:As-K-O-U,56.0,"Invalid WP multiplicities - A2B2C9D_oP56_59_3e3f_ef_2ab4e4f18g_c:As-K-O-U, expected K4U2As12O91 to be K2UAs2O9" +mp-1194764,K4U3(AsO8)2,-7.9206682252,-2.8494249449,0.000993768,0.000993768,GGA,P2_1/c,A2B4C16D3_mP50_14_e_2e_8e_ae:As-K-O-U,50.0,A2B4C16D3_mP50_14_e_2e_8e_ae:As-K-O-U +mp-1224052,KU3AsO15,-8.0345053505,-2.342301448,0.3237214506,0.3237214506,GGA,Cccm,ABC15D3_oC80_66_a_d_bk2l2m_ck:As-K-O-U,40.0,ABC15D3_oC80_66_a_d_bk2l2m_ck:As-K-O-U +mp-1194801,K6U5As2O23,-8.176505869,-3.0039636218,0.0,-0.0078718097,GGA,P2_1/c,A2B6C23D5_mP72_14_e_3e_a11e_c2e:As-K-O-U,72.0,A2B6C23D5_mP72_14_e_3e_a11e_c2e:As-K-O-U +mp-541412,CsYP2O7,-7.9450026534,-3.1436117918,0.0,-0.0253732109,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Y,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Y +mp-1207740,YPO6,-7.4202016219,-2.2252133859,0.3888053634,0.3888053634,GGA,C2/c,A6BC_mC32_15_3f_e_e:O-P-Y,16.0,A6BC_mC32_15_3f_e_e:O-P-Y +mp-5132,YPO4,-8.7631130767,-3.4853583325,0.0,-0.1550688244,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-P-Y,12.0,A4BC_tI24_141_h_a_b:O-P-Y +mp-1232370,YPO4,-8.7342768478,-3.4565221036,0.0288362289,-0.1262325955,GGA,P6_222,A4BC_hP18_180_k_c_d:O-P-Y,18.0,A4BC_hP18_180_k_c_d:O-P-Y +mp-1019725,CsY(PO3)4,-7.8263074614,-2.9165659032,0.0057036326,0.0057036326,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Cs-O-P-Y,72.0,AB12C4D_mP72_14_e_12e_4e_e:Cs-O-P-Y +mp-1019614,Cs3Y(PO4)2,-7.2096843305,-2.9559134068,0.0,-0.0498435816,GGA,P2_1,A3B8C2D_mP56_4_6a_16a_4a_2a:Cs-O-P-Y,56.0,A3B8C2D_mP56_4_6a_16a_4a_2a:Cs-O-P-Y +mp-686038,Y(PO3)3,-7.7064344827,-2.5351593262,0.4811773853,0.4550964246,GGA,P1,A9B3C_aP26_1_18a_6a_2a:O-P-Y,26.0,A9B3C_aP26_1_18a_6a_2a:O-P-Y +mp-1020797,Y(PO3)3,-8.1781014196,-3.0068262631,0.0095104484,-0.0165705124,GGA,Cc,A9B3C_mC52_9_9a_3a_a:O-P-Y,26.0,A9B3C_mC52_9_9a_3a_a:O-P-Y +mp-31062,Y(PO3)3,-8.1864786183,-3.0152034618,0.0011332497,-0.024947711,GGA,P2_1/m,A9B3C_mP52_11_4e7f_2e2f_2e:O-P-Y,52.0,A9B3C_mP52_11_4e7f_2e2f_2e:O-P-Y +mp-1020947,Y(PO3)3,-8.1822293103,-3.0109541537,0.0053825577,-0.020698403,GGA,P2_1/c,A9B3C_mP156_14_27e_9e_ab2e:O-P-Y,156.0,A9B3C_mP156_14_27e_9e_ab2e:O-P-Y +mp-554423,Y(PO3)3,-8.187611868,-3.0163367115,0.0,-0.0260809607,GGA,R-3,A9B3C_hR312_148_12f_4f_abf:O-P-Y,104.0,"Invalid WP multiplicities - A9B3C_hR312_148_65f_17f_ab2f:O-P-Y, expected Y7(P17O65)3 to be Y(PO3)3" +mp-556335,YP5O14,-7.9669034479,-2.8275721677,0.0,-0.0130342519,GGA,C2/c,A14B5C_mC160_15_14f_5f_2e:O-P-Y,80.0,"Invalid WP multiplicities - A14B5C_mC160_15_56f_15f_4e:O-P-Y, expected Y2P15O56 to be YP5O14" +mp-13563,YP5O14,-7.9599534519,-2.8206221717,0.006949996,-0.0060842559,GGA,Pnma,A14B5C_oP80_62_2c6d_c2d_c:O-P-Y,80.0,"Invalid WP multiplicities - A14B5C_oP80_62_2c9d_c2d_c:O-P-Y, expected Y(PO4)5 to be YP5O14" +mp-30321,Y2P4O13,-8.3664019171,-3.1615016277,0.0029471747,0.0029471747,GGA,C222_1,A13B4C2_oC76_20_a6c_2c_c:O-P-Y,38.0,A13B4C2_oC76_20_a6c_2c_c:O-P-Y +mp-1207942,Y(PO)2,-7.0698884815,-1.6325977717,0.7925616096,0.7925616096,GGA,I4_1/amd,A2B2C_tI40_141_h_h_c:O-P-Y,20.0,A2B2C_tI40_141_h_h_c:O-P-Y +mp-29291,I2(OF2)3,-4.1292032161,-1.4695966126,0.0384172176,0.0384172176,GGA,P2_1/c,A6B2C3_mP44_14_6e_2e_3e:F-I-O,44.0,"Invalid WP multiplicities - A6B2C3_mP44_14_11e_2e_3e:F-I-O, expected I2O3F11 to be I2(OF2)3" +mp-29946,IO2F,-4.4688603225,-1.1493046375,0.0,-0.0078909273,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:F-I-O,16.0,ABC2_oP16_19_a_a_2a:F-I-O +mp-559377,IOF3,-4.089713606,-1.6588152132,0.0,-0.0112585543,GGA,P2_12_12_1,A3BC_oP20_19_3a_a_a:F-I-O,20.0,"Invalid WP multiplicities - A3BC_oP20_19_10a_a_a:F-I-O, expected IOF10 to be IOF3" +mp-557917,SbI(OF4)2,-4.5261594675,-1.9605280715,0.0248710623,0.0248710623,GGA,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:F-I-O-Sb,48.0,"Invalid WP multiplicities - A8BC2D_mP48_14_28e_e_4e_e:F-I-O-Sb, expected SbI(OF7)4 to be SbI(OF4)2" +mp-10234,Sr2BN2F,-6.7990233362,-2.0252154204,0.0,-0.024589864,GGA,Pnma,ABC2D2_oP24_62_c_c_2c_2c:B-F-N-Sr,24.0,"Invalid WP multiplicities - ABC2D2_oP24_62_c_c_3c_2c:B-F-N-Sr, expected Sr2BN3F to be Sr2BN2F" +mp-556106,SrB2F8,-6.3085695233,-3.5503778201,0.0,-0.1325303572,GGA,Pbca,A2B8C_oP88_61_2c_8c_c:B-F-Sr,88.0,"Invalid WP multiplicities - A2B8C_oP88_61_10c_58c_c:B-F-Sr, expected SrB10F58 to be SrB2F8" +mp-30068,CIN,-6.06265939,0.2835161992,0.3976260517,0.3976260517,GGA,R3m,ABC_hR9_160_a_a_a:C-I-N,3.0,ABC_hR9_160_a_a_a:C-I-N +mp-679936,Er7C2I12N,-5.0357034534,-1.5607828270000002,0.0,-0.1099949316,GGA,P-1,A2B7C12D_aP44_2_2i_7i_12i_i:C-Er-I-N,44.0,"Invalid WP multiplicities - A2B7C12D_aP44_2_3i_13i_24i_i:C-Er-I-N, expected Er13C3I24N to be Er7C2I12N" +mp-1202855,C10I3N4,-6.7842421906,0.8659186138,0.946466745,0.946466745,GGA,P2_1/m,A10B3C4_mP34_11_6e2f_3e_2ef:C-I-N,34.0,A10B3C4_mP34_11_6e2f_3e_2ef:C-I-N +mp-727063,C8I3N4,-6.2961874415,1.1435060712,1.2347939532,1.2347939532,GGA,Pnma,A8B3C4_oP60_62_4c2d_ad_2cd:C-I-N,60.0,A8B3C4_oP60_62_4c2d_ad_2cd:C-I-N +mp-1204260,C7I3N4,-6.2473800802,1.0645297196,1.1623381646,1.1623381646,GGA,P2_1/c,A7B3C4_mP56_14_7e_ab2e_4e:C-I-N,56.0,A7B3C4_mP56_14_7e_ad2e_4e:C-I-N +mp-729795,C7I3N4,-6.6179905284,0.6939192714,0.7917277164000001,0.7917277164000001,GGA,P2_1/c,A7B3C4_mP56_14_7e_ab2e_4e:C-I-N,56.0,A7B3C4_mP56_14_7e_ab2e_4e:C-I-N +mp-1079290,C3IN,-5.772139143,1.7270324075,1.795498319,1.795498319,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:C-I-N,10.0,A3BC_mP10_11_ef_e_e:C-I-N +mp-722025,C3IN,-5.880080405,1.6190911455,1.687557057,1.687557057,GGA,P2_1/m,A3BC_mP10_11_ef_e_e:C-I-N,10.0,A3BC_mP10_11_ef_e_e:C-I-N +mp-1203084,C6I3N4,-5.677940625,1.4865264292,1.5918586008,1.5918586008,GGA,P2_1/c,A6B3C4_mP52_14_6e_3e_4e:C-I-N,52.0,A6B3C4_mP52_14_6e_3e_4e:C-I-N +mp-652200,C2IO,-6.4701735566,-0.250827045,0.4130519294,0.4130519294,GGA,P4_32_12,A2BC_tP64_96_4b_2b_2b:C-I-O,64.0,"Invalid WP multiplicities - A2BC_tP64_96_28b_7b_9b:C-I-O, expected C28I7O9 to be C2IO" +mp-707821,Ru3C10I2O9,-7.6934613823,-0.7110949804000001,0.2847234812,0.2847234812,GGA,Pna2_1,A10B2C9D3_oP96_33_10a_2a_9a_3a:C-I-O-Ru,96.0,A10B2C9D3_oP96_33_10a_2a_9a_3a:C-I-O-Ru +mp-672184,RuC4(IO2)2,-7.1985834991,-0.9328969486,0.0327451959,0.0327451959,GGA,C2/c,A4B2C4D_mC44_15_2f_f_2f_e:C-I-O-Ru,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_15_4f_f_5f_e:C-I-O-Ru, expected RuC8(IO5)2 to be RuC4(IO2)2" +mp-1201667,Y5P12Ru19,-8.4587117425,-0.8613330229,0.0,-0.0738623583,GGA,P-62m,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Y,36.0,A12B19C5_hP36_189_2fk_afgjk_cg:P-Ru-Y +mp-568832,Y(PRu)2,-8.204030652,-1.0356544107,0.0,-0.0409302942,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:P-Ru-Y,5.0,A2B2C_tI10_139_e_d_a:P-Ru-Y +mp-1205622,YPRu2C,-8.606097478,-0.6746486395,0.0,-0.0244023195,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Y,10.0,ABC2D_oC20_63_a_c_f_c:C-P-Ru-Y +mp-638150,KPPbS4,-4.784940725,-0.9589195834,0.0,-0.0256899112,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:K-P-Pb-S,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_7c3d:K-P-Pb-S, expected KPPbS13 to be KPPbS4" +mp-637267,Eu(C2N3)3,-8.8681749384,-0.0770843709,0.1704944356,0.1704944356,GGA,Cmcm,A6BC9_oC64_63_gh_c_cfgh:C-Eu-N,32.0,"Invalid WP multiplicities - A6BC9_oC64_63_2g3h_c_2c3f4g5h:C-Eu-N, expected Eu(C4N9)4 to be Eu(C2N3)3" +mp-1204426,Eu4C2N4F5,-9.3336529679,-2.5077387864,0.0,-0.0696687651,GGA,P-42_1c,A2B4C5D4_tP120_114_cde_4e_5e_4e:C-Eu-F-N,120.0,A2B4C5D4_tP120_114_cde_4e_5e_4e:C-Eu-F-N +mp-1212716,EuCN2,-10.0299795119,-0.9903152263,0.0,-0.486221055,GGA,Pnma,ABC2_oP16_62_c_c_2c:C-Eu-N,16.0,ABC2_oP16_62_c_c_2c:C-Eu-N +mp-16690,K2NdP2S7,-5.2251706987,-1.3276124148,0.0,-0.0048204429,GGA,P2_1/c,A2BC2D7_mP48_14_2e_e_2e_7e:K-Nd-P-S,48.0,A2BC2D7_mP48_14_2e_e_2e_7e:K-Nd-P-S +mp-555172,K3Nd3(PS4)4,-5.4577580017,-1.4011408081,0.0,-0.0272727809,GGA,C2/c,A3B3C4D16_mC104_15_af_ef_2f_8f:K-Nd-P-S,52.0,"Invalid WP multiplicities - A3B3C4D16_mC104_15_2c2f_ef_6f_28f:K-Nd-P-S, expected K6Nd3(P3S14)4 to be K3Nd3(PS4)4" +mp-542974,K3Nd(PS4)2,-5.0679131886,-1.3523740299,0.0,-0.0068582238,GGA,P2_1/c,A3BC2D8_mP56_14_3e_e_2e_8e:K-Nd-P-S,56.0,A3BC2D8_mP56_14_3e_e_2e_8e:K-Nd-P-S +mp-1211992,K9Nd(PS4)4,-4.717245666,-1.2973074709,9.97238e-05,9.97238e-05,GGA,C2/c,A9BC4D16_mC120_15_e4f_e_2f_8f:K-Nd-P-S,60.0,A9BC4D16_mC120_15_e4f_e_2f_8f:K-Nd-P-S +mp-1216968,U5B4Rh15,-8.636710765,-0.568409299,0.042594094,0.042594094,GGA,P4/mmm,A4B15C5_tP24_123_2g_ae2g2i_c2h:B-Rh-U,24.0,"Invalid WP multiplicities - A4B15C5_tP24_123_3g_a2e3g6i_c3h:B-Rh-U, expected U7B6Rh35 to be U5B4Rh15" +mp-1216723,U4B3C5,-9.6379648908,-0.3590363229,0.0031554708,0.0031554708,GGA,Pmm2,A3B5C4_oP12_25_abc_abc2d_abcd:B-C-U,12.0,A3B5C4_oP12_25_abc_abc2d_abcd:B-C-U +mp-1069774,UBRh3,-8.556169074,-0.5434239958,0.0552363938,0.0552363938,GGA,Pm-3m,AB3C_cP5_221_b_c_a:B-Rh-U,5.0,AB3C_cP5_221_b_c_a:B-Rh-U +mp-1069790,U2RhC2,-9.984142976,-0.303251201,0.0,-0.0331310432,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:C-Rh-U,5.0,A2BC2_tI10_139_e_a_e:C-Rh-U +mp-569471,UB2C,-8.873288105,-0.403573344,0.0345581781,0.0345581781,GGA,Pmma,A2BC_oP8_51_i_a_f:B-C-U,8.0,A2BC_oP8_51_i_a_f:B-C-U +mp-11332,UB2C,-8.8553899933,-0.3856752323,0.0524562898,0.0524562898,GGA,R-3m,A2BC_hR36_166_g_d_ac:B-C-U,12.0,A2BC_hR36_166_g_d_ac:B-C-U +mp-1025127,UB2Rh2C,-8.533339378299999,-0.432093581,0.0416120615,0.0416120615,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-U,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-U +mp-5816,UBC,-9.5123744233,-0.4458853322,0.0,-0.0418212013,GGA,Cmcm,ABC_oC12_63_c_c_c:B-C-U,6.0,ABC_oC12_63_c_c_c:B-C-U +mp-569686,La3C2I3,-5.925598955,-1.2149175363,0.0,-0.0476259656,GGA,C222_1,A2B3C3_oC128_20_4c_6c_2a5c:C-I-La,64.0,"Invalid WP multiplicities - A2B3C3_oC128_20_11c_21c_4a17c:C-I-La, expected La19C11I21 to be La3C2I3" +mp-1223076,La4B4I5,-5.4438135815,-1.3031653313,0.0,-0.0967718412,GGA,Cm,A4B5C4_mC26_8_2ab_5a_4a:B-I-La,13.0,A4B5C4_mC26_8_2ab_5a_4a:B-I-La +mp-1206182,LaCI,-6.26351489,-1.0508352408,0.0290914581,0.0290914581,GGA,C2/m,ABC_mC12_12_i_i_i:C-I-La,6.0,ABC_mC12_12_i_i_i:C-I-La +mp-1223222,La4C2I5,-5.5239969836,-1.3814341514,0.0,-0.0055330768,GGA,C2/m,A2B5C4_mC22_12_i_a2i_2i:C-I-La,11.0,A2B5C4_mC22_12_i_a2i_2i:C-I-La +mp-567775,La10C4I15,-5.2454031331,-1.5083262962,0.0,-0.0014882764,GGA,P-1,A4B15C10_aP29_2_2i_a7i_5i:C-I-La,29.0,"Invalid WP multiplicities - A4B15C10_aP29_2_2i_a13i_9i:C-I-La, expected La18C4I27 to be La10C4I15" +mp-567320,La5C2I9,-5.0925926559,-1.5677386772,0.0119802747,-0.0003862293,GGA,P-1,A2B9C5_aP32_2_2i_9i_5i:C-I-La,32.0,"Invalid WP multiplicities - A2B9C5_aP32_2_3i_17i_10i:C-I-La, expected La10C3I17 to be La5C2I9" +mp-571432,La5C2I9,-5.1045729306,-1.5797189519,0.0,-0.012366504,GGA,Pbca,A2B9C5_oP128_61_2c_9c_5c:C-I-La,128.0,"Invalid WP multiplicities - A2B9C5_oP128_61_8c_67c_34c:C-I-La, expected La34C8I67 to be La5C2I9" +mp-571323,La12C6I17,-5.4323899,-1.442352581,0.0,-0.0074295126,GGA,C2/c,A6B17C12_mC140_15_3f_a8f_6f:C-I-La,70.0,"Invalid WP multiplicities - A6B17C12_mC140_15_9f_2c30f_23f:C-I-La, expected La23C9I31 to be La12C6I17" +mp-679979,La9B3C6I5,-6.4106831239,-0.8802020821000001,0.0,-0.0355763614,GGA,Pmmn,A3B6C5D9_oP46_59_ae_3e_a2e_b4e:B-C-I-La,46.0,"Invalid WP multiplicities - A3B6C5D9_oP46_59_2a2e_8e_2a5e_2b13e:B-C-I-La, expected La14B3(C4I3)2 to be La9B3C6I5" +mp-568591,La3CI5,-5.0699987767,-1.5807189369,0.0,-0.012944921,GGA,P-1,AB5C3_aP18_2_i_5i_3i:C-I-La,18.0,"Invalid WP multiplicities - AB5C3_aP18_2_i_8i_6i:C-I-La, expected La6CI8 to be La3CI5" +mp-672196,La4B2CI5,-5.4791583346,-1.3376325676,0.0014059729,0.0014059729,GGA,C2/m,A2BC5D4_mC48_12_gi_i_5i_4i:B-C-I-La,24.0,"Invalid WP multiplicities - A2BC5D4_mC48_12_g2i_i_10i_7i:B-C-I-La, expected La7B3CI10 to be La4B2CI5" +mp-567729,La7C3I10,-5.3221770928,-1.4735916071,0.0,-0.0001606508,GGA,P-1,A3B10C7_aP40_2_3i_10i_7i:C-I-La,40.0,"Invalid WP multiplicities - A3B10C7_aP40_2_5i_18i_12i:C-I-La, expected La12C5I18 to be La7C3I10" +mp-1226832,CeUC4,-9.1509006367,-0.1277071142,0.034366141,0.034366141,GGA,Cmmm,A4BC_oC12_65_gk_c_a:C-Ce-U,12.0,"Invalid WP multiplicities - A4BC_oC12_65_2g2k_c_a:C-Ce-U, expected CeUC8 to be CeUC4" +mp-1226475,CeUN2,-10.0303159675,-1.5559437137,0.0549069175,0.03848912,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ce-N-U,4.0,AB2C_tP4_123_a_bc_d:Ce-N-U +mp-1226527,CeUN2,-10.085222885,-1.6108506312,0.0,-0.0164177975,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-N-U,4.0,AB2C_hR12_166_a_c_b:Ce-N-U +mp-1226573,CeU4N5,-10.821821475,-1.543701093,0.0,-0.005327077,GGA,R-3m,AB5C4_hR30_166_a_b2c_2c:Ce-N-U,10.0,"Invalid WP multiplicities - AB5C4_hR30_166_a_b4c_3c:Ce-N-U, expected CeU6N9 to be CeU4N5" +mp-1227213,Ce4UC10,-8.606985962,-0.119624525,0.0730259763,0.0730259763,GGA,Immm,A10B4C_oI30_71_e2n_2g_a:C-Ce-U,15.0,"Invalid WP multiplicities - A10B4C_oI30_71_2e7n_3g_a:C-Ce-U, expected Ce6UC32 to be Ce4UC10" +mp-1226701,CeU4C5,-9.825806398,-0.1016007323,0.048975477,0.048975477,GGA,I4/mmm,A5BC4_tI20_139_a2e_b_2e:C-Ce-U,10.0,"Invalid WP multiplicities - A5BC4_tI20_139_a3e_b_3e:C-Ce-U, expected CeU6C7 to be CeU4C5" +mp-1226563,CeUCN,-9.5453512225,-0.8479363269,0.0534605475,0.0534605475,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:C-Ce-N-U,4.0,ABCD_tP4_123_a_b_d_c:C-Ce-N-U +mp-1216828,U2CN,-10.84467603,-0.8076809206000001,0.0,-0.0007487775,GGA,R-3m,ABC2_hR12_166_a_b_c:C-N-U,4.0,ABC2_hR12_166_a_b_c:C-N-U +mp-9509,K2PAuS4,-4.4480961537,-1.0163734202,0.0,-0.0413774837,GGA,P2_1/m,AB2CD4_mP16_11_a_2e_e_2ef:Au-K-P-S,16.0,AB2CD4_mP16_11_a_2e_e_2ef:Au-K-P-S +mp-561218,KP2Au5S8,-4.4008988262,-0.5635230203,0.0,-0.0243537546,GGA,P2_1/c,A5BC2D8_mP64_14_5e_e_2e_8e:Au-K-P-S,64.0,"Invalid WP multiplicities - A5BC2D8_mP64_14_15e_e_5e_29e:Au-K-P-S, expected KP5Au15S29 to be KP2Au5S8" +mp-976587,KP2AuS7,-4.7213288509,-0.7062347574000001,0.0070766182,0.0070766182,GGA,C2/c,ABC2D7_mC44_15_c_e_f_e3f:Au-K-P-S,22.0,ABC2D7_mC44_15_a_e_f_e3f:Au-K-P-S +mp-672177,K2Ni3S4,-4.9409766644,-0.9290869532,0.0206703833,-0.0820630108,GGA,P1,A2B3C4_aP18_1_4a_6a_8a:K-Ni-S,18.0,A2B3C4_aP18_1_4a_6a_8a:K-Ni-S +mp-17228,K2Ni3S4,-4.9616470478,-0.9497573365,0.0,-0.1027333941,GGA,Fddd,A2B3C4_oF72_70_e_ae_h:K-Ni-S,18.0,A2B3C4_oF72_70_e_ae_h:K-Ni-S +mp-662530,KNiPS4,-5.0311567014,-0.9097799013,0.0,-0.0361774043,GGA,P4_2/mnm,ABCD4_tP28_136_d_ab_f_ij:K-Ni-P-S,28.0,"Invalid WP multiplicities - ABCD4_tP28_136_d_ab_f_4i4j:K-Ni-P-S, expected KNiPS16 to be KNiPS4" +mp-1213632,K2Ni3S2,-4.4152022593,-0.4389011639,0.3174771317,0.3174771317,GGA,Fddd,A2B3C2_oF112_70_h_ch_h:K-Ni-S,28.0,A2B3C2_oF112_70_h_ch_h:K-Ni-S +mp-558518,K(NiS)2,-4.989863118,-0.8011487099,0.053632893,0.053632893,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:K-Ni-S,5.0,AB2C2_tI10_139_a_d_e:K-Ni-S +mp-9672,K2NiP2,-4.230668087,-0.4651601695,0.0,-0.0572551653,GGA,Cmcm,A2BC2_oC20_63_2c_a_g:K-Ni-P,10.0,"Invalid WP multiplicities - A2BC2_oC20_63_4c_a_g:K-Ni-P, expected K4NiP2 to be K2NiP2" +mp-12737,YB2Rh2C,-7.8858672033,-0.5887778887,0.0044724987,0.0044724987,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Y,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Rh-Y +mp-1078866,Y(BC)2,-8.094044279,-0.437527151,0.0,-0.018596155,GGA,P4/mbm,A2B2C_tP10_127_g_g_b:B-C-Y,10.0,A2B2C_tP10_127_g_g_b:B-C-Y +mp-15955,Y(BC)2,-7.95089581,-0.294378682,0.143148469,0.124552314,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Y,10.0,A2B2C_tP10_131_j_l_f:B-C-Y +mp-15956,YBC,-7.5020729867,-0.0438968611,0.4182338806,0.4182338806,GGA,Cmmm,ABC_oC12_65_g_g_h:B-C-Y,6.0,ABC_oC12_65_g_g_h:B-C-Y +mp-1232379,YBC,-7.744084949999999,-0.2859088244,0.1762219172,0.1762219172,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Y,6.0,ABC_hP6_194_c_d_a:B-C-Y +mp-29896,Y2B3C2,-7.8507522871,-0.5038310694,0.0,-0.0098079173,GGA,Cmmm,A3B2C2_oC14_65_ag_g_h:B-C-Y,7.0,"Invalid WP multiplicities - A3B2C2_oC14_65_a2g_g_h:B-C-Y, expected Y2B5C2 to be Y2B3C2" +mp-1191584,Y8Rh5C12,-8.352488706,-0.3805969393,0.0525082634,0.0525082634,GGA,C2/m,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Y,25.0,A12B5C8_mC50_12_6i_a2i_4i:C-Rh-Y +mp-22120,YRh3C,-8.042441466,-0.4848294228,0.0,-0.0343910528,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Rh-Y,5.0,AB3C_cP5_221_b_c_a:C-Rh-Y +mp-9880,YB2C,-7.7871437819,-0.523663745,0.0,-0.0161726421,GGA,P4_2/mbc,A2BC_tP32_135_2h_h_g:B-C-Y,32.0,A2BC_tP32_135_2h_h_g:B-C-Y +mp-1207937,Y10B7C10,-7.9658961731,-0.4211884526,0.0085087008,0.0085087008,GGA,C2/c,A7B10C10_mC216_15_2e6f_10f_10f:B-C-Y,108.0,A7B10C10_mC216_15_2e6f_10f_10f:B-C-Y +mp-726614,YCO4,-8.3822078017,-2.4685592265,0.071480845,0.071480845,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:C-O-Y,24.0,AB4C_oP24_19_a_4a_a:C-O-Y +mp-1200903,Y(CO3)2,-8.0630920286,-1.9959882102,0.2874864814,0.2874864814,GGA,C222_1,A2B6C_oC72_20_2c_2a5c_2a:C-O-Y,36.0,A2B6C_oC72_20_2c_2a5c_2a:C-O-Y +mp-1079692,Y(CO2)3,-8.056607465,-1.6733474792,0.5145555381,0.5145555381,GGA,R3m,A3B6C_hR30_160_b_2b_a:C-O-Y,10.0,A3B6C_hR30_160_b_2b_a:C-O-Y +mp-726454,Y(CO2)4,-8.2872071808,-1.9060808136,0.1854624147,0.1854624147,GGA,P4/n,A4B8C_tP26_85_g_2g_a:C-O-Y,26.0,A4B8C_tP26_85_g_2g_a:C-O-Y +mp-1213356,CsYC4O9,-7.8130537567,-1.8932714996,0.2491469723,0.2491469723,GGA,P2/c,A4BC9D_mP30_13_2g_f_e4g_e:C-Cs-O-Y,30.0,A4BC9D_mP30_13_2g_f_e4g_e:C-Cs-O-Y +mp-727025,YC3O8,-8.0976218571,-1.953790417,0.2014015846,0.2014015846,GGA,P2_12_12_1,A3B8C_oP48_19_3a_8a_a:C-O-Y,48.0,A3B8C_oP48_19_3a_8a_a:C-O-Y +mp-1197362,YC3O8,-8.2482584027,-2.1044269626,0.050765039,0.050765039,GGA,P2_12_12_1,A3B8C_oP48_19_3a_8a_a:C-O-Y,48.0,A3B8C_oP48_19_3a_8a_a:C-O-Y +mp-1198534,Y2C3O11,-8.0463813553,-2.1068491973,0.1301203435,0.1301203435,GGA,Cmc2_1,A3B11C2_oC64_36_ab_a5b_b:C-O-Y,32.0,A3B11C2_oC64_36_ab_a5b_b:C-O-Y +mp-560411,CdSb6(S2I)4,-4.0336984574,-0.6293846924000001,0.0021854478,0.0021854478,GGA,P-1,AB4C8D6_aP19_2_a_2i_4i_3i:Cd-I-S-Sb,19.0,"Invalid WP multiplicities - AB4C8D6_aP19_2_a_4i_6i_5i:Cd-I-S-Sb, expected CdSb10(S3I2)4 to be CdSb6(S2I)4" +mp-1246615,TaWN3,-10.5479522635,-0.5828737365000001,0.3851752699,0.3851752699,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-Ta-W,20.0,A3BC_aP20_2_6i_2i_2i:N-Ta-W +mp-1217852,TaWNO6,-8.5687916717,-1.5873988881,0.7415220217,0.7415220217,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:N-O-Ta-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:N-O-Ta-W, expected TaWNO12 to be TaWNO6" +mp-622619,UVAgO6,-8.4454060461,-2.5689611182,0.0084195909,0.0084195909,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Ag-O-U-V,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_21e_e_e:Ag-O-U-V, expected UVAgO21 to be UVAgO6" +mp-22544,UV2O6,-9.5830657033,-3.0120263236,0.0023169524,0.0023169524,GGA+U,P-31m,A6BC2_hP9_162_k_a_d:O-U-V,9.0,A6BC2_hP9_162_k_a_d:O-U-V +mp-686936,UV2O8,-8.8963783266,-2.620675432,0.171285767,0.1504198702,GGA+U,Pnma,A8BC2_oP44_62_2c3d_c_d:O-U-V,44.0,"Invalid WP multiplicities - A8BC2_oP44_62_7c18d_c_d:O-U-V, expected UV2O43 to be UV2O8" +mp-541493,UV2O8,-9.0676640936,-2.7919611991,0.0,-0.0208658968,GGA+U,Pnma,A8BC2_oP44_62_2c3d_c_d:O-U-V,44.0,A8BC2_oP44_62_2c3d_c_d:O-U-V +mp-505163,UV3O10,-8.989251935,-2.7028222684000003,0.0225309368,0.0225309368,GGA+U,Fddd,A10BC3_oF112_70_2efh_a_be:O-U-V,28.0,A10BC3_oF112_70_2efh_a_be:O-U-V +mp-505253,U2V2O11,-9.3221119197,-2.9778313874,0.033109101,0.033109101,GGA+U,P2_1/c,A11B2C2_mP30_14_a5e_e_e:O-U-V,30.0,"Invalid WP multiplicities - A11B2C2_mP30_14_a8e_e_e:O-U-V, expected U2V2O17 to be U2V2O11" +mp-20179,UVO5,-9.5074372279,-3.0633287084,0.0646578371,0.0646578371,GGA+U,Pbcm,A5BC_oP28_57_c2de_d_c:O-U-V,28.0,A5BC_oP28_57_c2de_d_c:O-U-V +mp-1217056,U7V5Ag3O35,-8.9892615242,-2.8674380577000003,0.0057310372,0.0057310372,GGA+U,Pm,A3B35C7D5_mP50_6_ac_10a11b7c_3a4b_2a3b:Ag-O-U-V,50.0,"Invalid WP multiplicities - A3B35C7D5_mP50_6_a2c_10a11b14c_3a4b_2a3b:Ag-O-U-V, expected U7V5Ag5O49 to be U7V5Ag3O35" +mp-770370,V3BO6,-8.985402874,-2.6242786492,0.0070782066,0.0070782066,GGA+U,Pnma,AB6C3_oP40_62_c_2c2d_cd:B-O-V,40.0,"Invalid WP multiplicities - AB6C3_oP40_62_c_6c7d_3c2d:B-O-V, expected V7BO20 to be V3BO6" +mp-18946,VBO3,-8.848075437,-2.7274026421,0.0,-0.0449436472,GGA+U,R-3c,AB3C_hR30_167_a_e_b:B-O-V,10.0,AB3C_hR30_167_a_e_b:B-O-V +mp-1207931,V3BO5,-8.9867993475,-2.4685156212,0.0128941575,0.0128941575,GGA+U,Pbam,AB5C3_oP36_55_g_3g2h_adgh:B-O-V,36.0,AB5C3_oP36_55_g_3g2h_adgh:B-O-V +mp-771822,V5(BO5)2,-8.9391979009,-2.5718331359,0.0339562268,0.0339562268,GGA+U,Pbam,A2B10C5_oP34_55_g_3g2h_bgh:B-O-V,34.0,"Invalid WP multiplicities - A2B10C5_oP34_55_g_10g7h_2b2g4h:B-O-V, expected V7BO17 to be V5(BO5)2" +mp-771386,VBO4,-8.3727899547,-2.4477811738,0.0682177619,0.0541865446,GGA+U,P-1,AB4C_aP36_2_3i_12i_3i:B-O-V,36.0,"Invalid WP multiplicities - AB4C_aP36_2_5i_23i_5i:B-O-V, expected V5B5O23 to be VBO4" +mp-756186,VBO4,-8.352322665,-2.427313884,0.0886850517,0.0746538343,GGA+U,P2_1/c,AB4C_mP24_14_e_4e_e:B-O-V,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:B-O-V, expected VBO11 to be VBO4" +mp-754594,VBO4,-8.4410077167,-2.5159989357,0.0,-0.0140312174,GGA+U,I-4,AB4C_tI12_82_a_g_c:B-O-V,6.0,AB4C_tI12_82_a_g_c:B-O-V +mp-1212487,La7V2BO17,-8.8249503533,-3.5103962149,0.0126550221,0.0126550221,GGA+U,P2_1/c,AB7C17D2_mP108_14_e_7e_17e_2e:B-La-O-V,108.0,AB7C17D2_mP108_14_e_7e_17e_2e:B-La-O-V +mp-1208078,V(BO)6,-6.7758079846,-0.7111626798,1.6122793072,1.6122793072,GGA+U,C2/m,A6B6C_mC26_12_ij_ij_a:B-O-V,13.0,"Invalid WP multiplicities - A6B6C_mC26_12_ij_2i3j_a:B-O-V, expected V(B3O8)2 to be V(BO)6" +mp-770506,V5BO9,-8.981845046,-2.5405703445,0.0587712492,0.0587712492,GGA+U,Cmc2_1,AB9C5_oC60_36_a_5a2b_3ab:B-O-V,30.0,"Invalid WP multiplicities - AB9C5_oC60_36_a_10a7b_6a3b:B-O-V, expected V12BO24 to be V5BO9" +mp-18390,KV6O11,-8.5699209753,-2.4572870202,0.0443271065,0.0443271065,GGA+U,P6_3mc,AB11C6_hP36_186_b_2b3c_2abc:K-O-V,36.0,AB11C6_hP36_194_c_fhk_deg:K-O-V +mp-17353,KV6O11,-8.5874409339,-2.4748069788,0.0268071479,0.0268071479,GGA+U,P6_3/mmc,AB11C6_hP36_194_c_fhk_deg:K-O-V,36.0,"Invalid WP multiplicities - AB11C6_hP36_194_c_fhk_d2e3g:K-O-V, expected KV14O11 to be KV6O11" +mp-754400,KVO2,-7.1904114387,-2.1684908289,0.0602807861,0.0602807861,GGA+U,P-3m1,AB2C_hP4_164_a_d_b:K-O-V,8.0,AB2C_mC8_12_a_i_d:K-O-V +mp-29230,KV4O8,-8.3815982608,-2.4570188056,0.0316349585,0.0316349585,GGA+U,I4/m,AB8C4_tI26_87_a_2h_h:K-O-V,13.0,AB8C4_tI26_87_a_2h_h:K-O-V +mp-19052,K3VO4,-6.2904763512,-2.2652441318,0.0215336784,-0.0989207962,GGA+U,I-42m,A3B4C_tI16_121_ad_i_b:K-O-V,8.0,A3B4C_tI16_121_ad_i_b:K-O-V +mp-560869,K3VO4,-6.3120100297,-2.2867778102,0.0,-0.1204544747,GGA+U,P2_13,A3B4C_cP32_198_3a_ab_a:K-O-V,32.0,"Invalid WP multiplicities - A3B4C_cP32_198_6a_3a4b_a:K-O-V, expected K6VO15 to be K3VO4" +mp-1211704,K3VO8,-5.6240727892,-1.2916884058,0.2434998107,0.2434998107,GGA+U,I-42m,A3B8C_tI24_121_ad_2i_b:K-O-V,12.0,A3B8C_tI24_121_ad_2i_b:K-O-V +mp-18761,K3V3O8,-7.4453851968,-2.434212001,0.0,-0.0043350931,GGA+U,P-3m1,A3B8C3_hP14_164_ad_di_bd:K-O-V,28.0,A3B8C3_hP14_164_ad_di_bd:K-O-V +mp-1180691,KVO4,-6.6890133075,-1.6921699972000002,0.3175206515,0.3175206515,GGA+U,Pnma,AB4C_oP24_62_c_4c_c:K-O-V,24.0,AB4C_oP24_62_c_4c_c:K-O-V +mp-1099837,K2V2O5,-7.2693176411,-2.2557561311,0.1660705778,0.1660705778,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:K-O-V,18.0,A2B5C2_oI36_46_c_b2c_ab:K-O-V +mp-27704,K3V5O14,-7.7702404382,-2.4064054769,0.0,-0.0205130784,GGA+U,P31m,A3B14C5_hP22_157_c_b2cd_bc:K-O-V,22.0,A3B14C5_hP22_157_c_b2cd_bc:K-O-V +mp-1211528,KV3O7,-8.1688700718,-2.4426029686,0.0198256811,0.0198256811,GGA+U,C2/m,AB7C3_mC44_12_i_7i_3i:K-O-V,,AB7C3_mC44_12_i_7i_3i:K-O-V +mp-1200488,K3V2O12,-5.9621470687,-1.2057192148,0.419905331,0.419905331,GGA+U,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:K-O-V,68.0,A3B12C2_mP68_14_3e_12e_2e:K-O-V +mp-758169,KV6O14,-8.2980007205,-2.3519303717,0.062520106,0.062520106,GGA+U,P-1,AB14C6_aP42_2_i_14i_6i:K-O-V,42.0,"Invalid WP multiplicities - AB14C6_aP42_2_i_28i_12i:K-O-V, expected KV12O28 to be KV6O14" +mp-734854,K3VO5,-6.0268705668,-1.8992542927,0.1429212509,0.1429212509,GGA+U,Pbca,A3B5C_oP72_61_3c_5c_c:K-O-V,72.0,A3B5C_oP72_61_3c_5c_c:K-O-V +mp-581174,K2V8O21,-8.104951951,-2.3380968093,0.0095226795,0.0095226795,GGA+U,C2/m,A2B21C8_mC62_12_i_a10i_4i:K-O-V,31.0,"Invalid WP multiplicities - A2B21C8_mC62_12_i_a19i_8i:K-O-V, expected K2V16O39 to be K2V8O21" +mp-19172,KV3O8,-8.0257476525,-2.3644454152,0.0,-0.0033357244,GGA+U,P2_1/m,AB8C3_mP24_11_e_2e3f_ef:K-O-V,24.0,"Invalid WP multiplicities - AB8C3_mP24_11_e_4e10f_2e3f:K-O-V, expected KV8O24 to be KV3O8" +mp-557105,K4V2O7,-6.7809657169,-2.3781788779,0.0,-0.0125129877,GGA+U,C2/m,A4B7C2_mC26_12_aci_bij_i:K-O-V,13.0,"Invalid WP multiplicities - A4B7C2_mC26_12_bci_a2i3j_i:K-O-V, expected K4V2O17 to be K4V2O7" +mp-849579,KV12O30,-8.2472008053,-2.235155849,0.0889086492,0.0889086492,GGA+U,P6/mcc,AB30C12_hP86_192_a_l2m_m:K-O-V,86.0,"Invalid WP multiplicities - AB30C12_hP86_192_a_6l17m_m:K-O-V, expected KV12O240 to be KV12O30" +mp-16787,K2V3O8,-7.7607185415,-2.4494857882,0.0,-0.0218196754,GGA+U,P4bm,A2B8C3_tP26_100_c_abcd_ac:K-O-V,26.0,A2B8C3_tP26_100_c_abcd_ac:K-O-V +mp-1201198,K2VO6,-5.8872166099,-1.3333459175,0.3842277166,0.3842277166,GGA+U,P2_1/c,A2B6C_mP72_14_4e_12e_2e:K-O-V,72.0,A2B6C_mP72_14_4e_12e_2e:K-O-V +mp-1192668,KV3Ge2O9,-7.856056972,-2.3808322208,0.0,-0.0239902706,GGA+U,P6_3/mmc,A2BC9D3_hP30_194_e_c_bfk_g:Ge-K-O-V,30.0,A2BC9D3_hP30_194_e_c_bfk_g:Ge-K-O-V +mp-1223285,KV4O10,-8.1526092487,-2.358415226,0.029365885,0.029365885,GGA+U,Cm,AB10C4_mC30_8_a_10a_4a:K-O-V,,AB10C4_mC30_8_a_10a_4a:K-O-V +mp-767780,KV4O10,-8.1468710827,-2.35267706,0.035104051,0.035104051,GGA+U,Cmcm,AB10C4_oC60_63_c_5f_2f:K-O-V,30.0,"Invalid WP multiplicities - AB10C4_oC60_63_c_17f_3f:K-O-V, expected KV6O34 to be KV4O10" +mp-541253,KV4O10,-8.1564563713,-2.3622623487,0.0255187623,0.0255187623,GGA+U,Cmcm,AB10C4_oC60_63_c_5f_2f:K-O-V,30.0,AB10C4_oC60_63_c_5f_2f:K-O-V +mp-28280,K5V3O10,-6.9713161512,-2.4007272592,0.0,-0.0132567422,GGA+U,P4_12_12,A5B10C3_tP72_92_a2b_5b_ab:K-O-V,72.0,"Invalid WP multiplicities - A5B10C3_tP72_92_a2b_8b_ab:K-O-V, expected K5V3O16 to be K5V3O10" +mp-768095,KV13O20,-8.8200373574,-2.4043034726,0.0949441317,0.0949441317,GGA+U,P-1,AB20C13_aP68_2_i_20i_13i:K-O-V,68.0,"Invalid WP multiplicities - AB20C13_aP68_2_i_40i_26i:K-O-V, expected KV26O40 to be KV13O20" +mp-774428,K3V14O28,-8.4495609456,-2.4714905959,0.0183325271,0.0183325271,GGA+U,I4/m,A3B28C14_tI180_87_3e_2h6i_h3i:K-O-V,90.0,"Invalid WP multiplicities - A3B28C14_tI180_87_6e_8h40i_4h21i:K-O-V, expected K3V46O88 to be K3V14O28" +mp-731715,K4V2O9,-6.2875335833,-1.8122264947,0.2488618662,0.2488618662,GGA+U,Cmcm,A4B9C2_oC60_63_2cg_cfgh_f:K-O-V,30.0,A4B9C2_oC60_63_2cg_cfgh_f:K-O-V +mp-18815,KVO3,-7.4185030085,-2.4116287784,0.0,-0.0077784994,GGA+U,Pbcm,AB3C_oP20_57_d_c2d_d:K-O-V,20.0,AB3C_oP20_57_d_c2d_d:K-O-V +mp-1076633,KVO3,-7.201591718,-2.1947174879,0.2169112905,0.2091327911,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:K-O-V,5.0,AB3C_cP5_221_a_c_b:K-O-V +mp-675156,K3NO,-3.5224329364,-0.1995568409,0.6608367645000001,0.6608367645000001,GGA,P2,A3BC_mP25_3_abc6e_d2e_a2e:K-N-O,25.0,"Invalid WP multiplicities - A3BC_mP25_3_abd9e_c2e_a3e:K-N-O, expected K21N5O7 to be K3NO" +mp-28202,K3NO4,-5.3168898953,-1.3850840689,0.0,-0.0248201419,GGA,Pnma,A3BC4_oP32_62_cd_c_2cd:K-N-O,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_cd_c_2c2d:K-N-O, expected K3NO6 to be K3NO4" +mp-28111,K3NO3,-5.0790638029,-1.2922412458,0.0,-0.0055606244,GGA,I4cm,A3BC3_tI28_108_ac_b_ac:K-N-O,14.0,"Invalid WP multiplicities - A3BC3_tI28_108_ac_b_a2c:K-N-O, expected K3NO5 to be K3NO3" +mp-34857,KNO2,-6.128415495,-1.2933476714,0.0,-0.0026887146,GGA,Cm,ABC2_mC8_8_a_a_b:K-N-O,4.0,ABC2_mC8_8_a_a_b:K-N-O +mp-546787,KNO2,-6.1122727175,-1.2772048939,0.0161427775,0.0134540629,GGA,Cm,ABC2_mC8_8_a_a_b:K-N-O,4.0,ABC2_mC8_8_a_a_b:K-N-O +mp-29200,KNO2,-6.1268122369,-1.2917444132,0.0016032581,-0.0010854565,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:K-N-O,16.0,ABC2_mP16_14_e_e_2e:K-N-O +mp-1067154,KNO2,-6.12179623,-1.2867284064,0.006619265,0.0039305504,GGA,Imm2,ABC2_oI8_44_a_a_c:K-N-O,4.0,ABC2_oI8_44_a_a_c:K-N-O +mp-703272,K5NO4,-4.456088,-1.0885635495,0.190490118,0.190490118,GGA,P1,A5BC4_aP10_1_5a_a_4a:K-N-O,10.0,A5BC4_aP10_1_5a_a_4a:K-N-O +mp-3768,KN3O4,-6.5199736356,-0.7816438147,0.2393506881,0.2393506881,GGA,P2_1/c,AB3C4_mP32_14_e_3e_4e:K-N-O,32.0,"Invalid WP multiplicities - AB3C4_mP32_14_e_4e_5e:K-N-O, expected KN4O5 to be KN3O4" +mp-675625,KNO3,-6.273080306,-1.4156883048,0.0117643875,-0.3769915371,GGA,P1,ABC3_aP10_1_2a_2a_6a:K-N-O,10.0,ABC3_aP10_1_2a_2a_6a:K-N-O +mp-5158,KNO3,-6.2848446935,-1.4274526923,0.0,-0.3887559246,GGA,Pnma,ABC3_oP20_62_c_c_cd:K-N-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_c2d:K-N-O, expected KNO5 to be KNO3" +mp-36903,KNO3,-6.277345139,-1.4199531378,0.0074995545,-0.3812563701,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:K-N-O,10.0,"Invalid WP multiplicities - ABC3_mP10_11_e_e_e2f:K-N-O, expected KNO5 to be KNO3" +mp-1020193,KNO3,-6.2714432085,-1.4140512073,0.013401485,-0.3753544396,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:K-N-O,20.0,ABC3_mP20_14_e_e_3e:K-N-O +mp-1105365,KNO3,-6.238478935,-1.3810869338,0.0463657585,-0.3423901661,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:K-N-O,20.0,ABC3_mP20_14_e_e_3e:K-N-O +mp-672644,KNO3,-6.2405547975,-1.3831627963,0.044289896,-0.3444660286,GGA,Pnma,ABC3_oP20_62_c_c_cd:K-N-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_2c2d:K-N-O, expected KNO6 to be KNO3" +mp-9475,KNO3,-6.2705404885,-1.4131484874,0.014304205,-0.3744517196,GGA,Pnma,ABC3_oP20_62_c_c_cd:K-N-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_c_c2d:K-N-O, expected KNO5 to be KNO3" +mp-1190109,KNO3,-6.2412336905,-1.3838416893,0.043611003,-0.3451449216,GGA,Pnma,ABC3_oP20_62_c_c_cd:K-N-O,20.0,ABC3_oP20_62_c_c_cd:K-N-O +mp-676851,KNO3,-6.273790152,-1.4163981509,0.0110545415,-0.3777013831,GGA,R32,ABC3_hR15_155_b_a_d:K-N-O,5.0,ABC3_hR15_155_b_a_d:K-N-O +mp-6920,KNO3,-6.2823941340000005,-1.4250021328,0.0024505595,-0.3863053651,GGA,R3m,ABC3_hR15_160_a_a_b:K-N-O,5.0,ABC3_hR15_160_a_a_b:K-N-O +mp-1204211,KZrN3O11,-6.9896887231,-1.4221162121,0.051758047,0.051758047,GGA,P2_1/c,AB3C11D_mP64_14_e_3e_11e_e:K-N-O-Zr,64.0,AB3C11D_mP64_14_e_3e_11e_e:K-N-O-Zr +mp-1019799,K8NO3,-3.452126675,-0.7804806221,0.2021580393,0.2021580393,GGA,Pm-3m,A8BC3_cP12_221_g_a_c:K-N-O,12.0,A8BC3_cP12_221_g_a_c:K-N-O +mp-677509,K4N2O5,-5.425490195,-1.2574875410000002,0.0396652539,0.0396652539,GGA,C2/c,A4B2C5_mC44_15_2f_f_e2f:K-N-O,22.0,"Invalid WP multiplicities - A4B2C5_mC44_15_7f_f_2e6f:K-N-O, expected K7NO7 to be K4N2O5" +mp-752863,K4N2O5,-5.4561844755,-1.2881818214,0.0089709735,0.0089709735,GGA,Ccce,A4B2C5_oC44_68_de_e_ai:K-N-O,22.0,"Invalid WP multiplicities - A4B2C5_oC44_68_2d3e_e_2a3i:K-N-O, expected K5NO7 to be K4N2O5" +mp-1224097,K4N2O5,-5.4421592927,-1.2741566387,0.0229961562,0.0229961562,GGA,Immm,A4B2C5_oI22_71_abf_f_cm:K-N-O,11.0,A4B2C5_oI22_71_abf_f_cm:K-N-O +mp-1019800,K8N3O,-3.1366319875,0.0999817677,0.5513324487,0.5513324487,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:K-N-O,12.0,A8B3C_cP12_221_g_c_a:K-N-O +mp-1072340,K4NO,-3.291220525,-0.337090621,0.3799040503,0.3799040503,GGA,P4/mmm,A4BC_tP6_123_i_a_d:K-N-O,6.0,A4BC_tP6_123_i_a_d:K-N-O +mp-865973,PHPb2F10,-5.2245671579,-2.699844846,0.0,-0.0513967221,GGA,P-1,A10BCD2_aP14_2_5i_b_d_i:F-H-P-Pb,14.0,"Invalid WP multiplicities - A10BCD2_aP14_2_9i_b_d_i:F-H-P-Pb, expected PHPb2F18 to be PHPb2F10" +mp-13799,K2NaYF6,-5.707406638,-3.5595398274,0.0320464373,0.0320464373,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Y +mp-974267,KH8N3,-4.8655814571,-0.4271071169,0.0,-0.0002368488,GGA,C222_1,A8BC3_oC48_20_4c_a_bc:H-K-N,24.0,"Invalid WP multiplicities - A8BC3_oC48_20_13c_a_2b2c:H-K-N, expected K(H13N3)2 to be KH8N3" +mp-1196420,K2Zr(H2N)6,-5.3900057838,-0.5566638498,0.0107173927,0.0107173927,GGA,R-3c,A12B2C6D_hR126_167_2f_c_f_a:H-K-N-Zr,42.0,A12B2C6D_hR126_167_2f_c_f_a:H-K-N-Zr +mp-674456,Zr10HN8,-9.8134521774,-1.6259947171,0.015791505,0.015791505,GGA,P-1,AB8C10_aP19_2_a_4i_5i:H-N-Zr,19.0,"Invalid WP multiplicities - AB8C10_aP19_2_a_8i_8i:H-N-Zr, expected Zr16HN16 to be Zr10HN8" +mp-24428,KH2N,-4.4933344025,-0.435247912,0.0,-0.0594059481,GGA,P2_1/m,A2BC_mP8_11_f_e_e:H-K-N,8.0,A2BC_mP8_11_f_e_e:H-K-N +mp-1215753,YUB8,-7.645434926,-0.5261333970000001,0.0217279443,0.0217279443,GGA,Cmmm,A8BC_oC40_65_gim2p_h_j:B-U-Y,20.0,"Invalid WP multiplicities - A8BC_oC40_65_gim3p_h_j:B-U-Y, expected YUB10 to be YUB8" +mp-1216402,YU2(BRh)12,-7.7874160348,-0.4698720784,0.0547088543,0.0547088543,GGA,P-4m2,A12B12C2D_tP54_115_3j3k_3j3k_ace_f:B-Rh-U-Y,54.0,"Invalid WP multiplicities - A12B12C2D_tP54_115_12j12k_12j12k_ace_f:B-Rh-U-Y, expected YU2(BRh)48 to be YU2(BRh)12" +mp-1216448,YH18(BrO6)3,-5.2310338509,-1.200158308,0.0,-0.0414237632,GGA,P6_3mc,A3B18C18D_hP80_186_c_3d_4cd_b:Br-H-O-Y,80.0,"Invalid WP multiplicities - A3B18C18D_hP80_186_c_5d_6cd_b:Br-H-O-Y, expected YH30(BrO8)3 to be YH18(BrO6)3" +mp-673310,Y(HO)3,-6.72254799,-2.2247315068,0.0260503318,0.0260503318,GGA,Pm,A3B3C_mP14_6_3a3b_3a3b_ab:H-O-Y,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Y, expected Y(HO)6 to be Y(HO)3" +mp-625718,Y(HO)3,-6.7256945471,-2.227878064,0.0229037746,0.0229037746,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:H-O-Y,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:H-O-Y, expected Y(HO)6 to be Y(HO)3" +mp-625677,Y(HO)3,-6.7272367314,-2.2294202483,0.0213615904,0.0213615904,GGA,P6_3,A3B3C_hP14_173_c_c_b:H-O-Y,14.0,A3B3C_hP14_173_c_c_b:H-O-Y +mp-24076,Y(HO)3,-6.7284983686,-2.2306818854,0.0200999532,0.0200999532,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:H-O-Y,14.0,A3B3C_hP14_176_h_h_c:H-O-Y +mp-626151,YHO2,-7.9154713475,-2.9773277023,0.0,-0.0142552861,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:H-O-Y,8.0,AB2C_mP8_11_e_2e_e:H-O-Y +mp-754117,YHO2,-7.8965442437,-2.9584005985,0.0189271038,0.0046718177,GGA,Pmn2_1,AB2C_oP8_31_a_2a_a:H-O-Y,8.0,"Invalid WP multiplicities - AB2C_oP8_31_a_4a_a:H-O-Y, expected YHO4 to be YHO2" +mp-756402,YHO2,-7.8954378206,-2.9572941754,0.0200335269,0.0057782408,GGA,Pnma,AB2C_oP16_62_c_2c_c:H-O-Y,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:H-O-Y, expected YHO5 to be YHO2" +mp-768231,YHO2,-7.8333221112,-2.895178466,0.0821492363,0.0678939502,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:H-O-Y,8.0,AB2C_hP8_194_c_f_a:H-O-Y +mp-755210,Y4Cu2O7,-8.3835904815,-3.0996582683,0.1043127429,0.1043127429,GGA,C2/m,A2B7C4_mC26_12_ac_b3i_2i:Cu-O-Y,13.0,"Invalid WP multiplicities - A2B7C4_mC26_12_bc_a5i_3i:Cu-O-Y, expected Y6Cu2O11 to be Y4Cu2O7" +mp-1045605,YCu7O12,-5.9810986335,-1.2550395166,0.0,-0.0100600242,GGA,Im-3,A7B12C_cI40_204_bc_g_a:Cu-O-Y,20.0,A7B12C_cI40_204_bc_g_a:Cu-O-Y +mp-1340758,YCuO3,-7.498518463,-2.4173696796,0.0233522437,0.0233522437,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cu-O-Y,20.0,AB3C_oP20_62_a_cd_c:Cu-O-Y +mp-1333124,YCuO3,-7.509970871,-2.4288220876,0.0118998357,0.0118998357,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Cu-O-Y,30.0,AB3C_hP30_185_c_ab2c_ab:Cu-O-Y +mp-1432347,YCuO3,-7.299427534,-2.2182787506,0.2224431727,0.2224431727,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-O-Y,5.0,AB3C_cP5_221_b_c_a:Cu-O-Y +mp-867628,Y6Cu11O24,-7.0049827251,-2.0632600637,0.0,-0.0002784284,GGA,P-1,A11B24C6_aP41_2_abe4i_12i_3i:Cu-O-Y,41.0,"Invalid WP multiplicities - A11B24C6_aP41_2_abe7i_22i_4i:Cu-O-Y, expected Y8Cu17O44 to be Y6Cu11O24" +mp-1372494,Y(CuO2)3,-5.847341568,-1.0029192289,0.6571713811000001,0.6571713811000001,GGA,Cm,A3B6C_mC40_8_6a_12a_2a:Cu-O-Y,20.0,A3B6C_mC40_8_6a_12a_2a:Cu-O-Y +mp-1389441,Y(CuO2)3,-5.812804782,-0.9683824429,0.6917081671,0.6917081671,GGA,C2/m,A3B6C_mC20_12_ai_3i_c:Cu-O-Y,10.0,"Invalid WP multiplicities - A3B6C_mC20_12_ai_5i_c:Cu-O-Y, expected YCu3O10 to be Y(CuO2)3" +mp-530641,Y4Cu7O16,-6.9989509839,-2.0468268904,0.0138264952,0.0138264952,GGA,P-1,A7B16C4_aP54_2_abcf5i_16i_4i:Cu-O-Y,54.0,"Invalid WP multiplicities - A7B16C4_aP54_2_abcf10i_32i_7i:Cu-O-Y, expected Y7(Cu3O8)4 to be Y4Cu7O16" +mp-2882,Y2Cu2O5,-7.6754534108,-2.5793646194,0.0464288946,0.0464288946,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Y,36.0,A2B5C2_oP36_33_2a_5a_2a:Cu-O-Y +mp-510475,Y2Cu2O5,-7.6815621036,-2.5854733122,0.0403202018,0.0403202018,GGA,Pnma,A2B5C2_oP36_62_2c_c2d_d:Cu-O-Y,36.0,A2B5C2_oP36_62_2c_c2d_d:Cu-O-Y +mp-1245564,YCuO,-7.00148336,-1.8306945285,0.476086818,0.476086818,GGA,R3m,ABC_hR9_160_a_a_a:Cu-O-Y,3.0,ABC_hR9_160_a_a_a:Cu-O-Y +mp-1335004,Y4(Cu2O5)3,-7.0538698971,-2.0674116914,0.0671179258,0.0671179258,GGA,P2_1,A6B15C4_mP100_4_12a_30a_8a:Cu-O-Y,100.0,"Invalid WP multiplicities - A6B15C4_mP100_4_20a_50a_12a:Cu-O-Y, expected Y6(Cu2O5)5 to be Y4(Cu2O5)3" +mp-1338483,Y4(Cu2O5)3,-6.8896521418,-1.9031939361,0.2313356811,0.2313356811,GGA,P2_12_12_1,A6B15C4_oP100_19_6a_15a_4a:Cu-O-Y,100.0,"Invalid WP multiplicities - A6B15C4_oP100_19_22a_55a_12a:Cu-O-Y, expected Y12(Cu2O5)11 to be Y4(Cu2O5)3" +mp-1147560,KY(CuO2)2,-6.4628429162,-2.0175881356,0.0378483034,0.0378483034,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Cu-K-O-Y,8.0,A2BC4D_tP8_123_h_a_i_b:Cu-K-O-Y +mp-6972,YCuO2,-7.8378543325,-2.723090531,0.0010602036,0.0010602036,GGA,R-3m,AB2C_hR12_166_a_c_b:Cu-O-Y,4.0,AB2C_hR12_166_a_c_b:Cu-O-Y +mp-2918,YCuO2,-7.83859662,-2.7238328185,0.0003179161,0.0003179161,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Cu-O-Y,8.0,AB2C_hP8_194_c_f_a:Cu-O-Y +mp-755924,Y2CuO4,-8.3325462664,-3.0727028748,0.0337656177,0.0337656177,GGA,Cmce,AB4C2_oC28_64_a_ef_d:Cu-O-Y,14.0,"Invalid WP multiplicities - AB4C2_oC28_64_a_2e3f_d:Cu-O-Y, expected Y2CuO10 to be Y2CuO4" +mp-754364,Y2CuO4,-8.3151686771,-3.0553252855,0.051143207,0.051143207,GGA,I4/mmm,AB4C2_tI14_139_a_cd_e:Cu-O-Y,7.0,"Invalid WP multiplicities - AB4C2_tI14_139_a_2c2d_e:Cu-O-Y, expected Y2CuO8 to be Y2CuO4" +mp-1048799,Y2(CuO2)3,-6.9999484091,-2.0080670905,0.3118423462,0.3118423462,GGA,P2_1,A3B6C2_mP22_4_3a_6a_2a:Cu-O-Y,22.0,A3B6C2_oC44_36_6a_12a_4a:Cu-O-Y +mp-1048365,Y2(CuO2)3,-6.9835396518,-1.9916583333,0.3282511035,0.3282511035,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:Cu-O-Y,11.0,"Invalid WP multiplicities - A3B6C2_mC22_12_ai_6i_i:Cu-O-Y, expected Y2(CuO4)3 to be Y2(CuO2)3" +mp-22618,Y(CuO2)2,-6.9896534771,-2.0679907202,0.0,-0.0343051707,GGA,I4_1/a,A2B4C_tI28_88_c_f_b:Cu-O-Y,14.0,A2B4C_tI28_88_c_f_b:Cu-O-Y +mp-1384218,Y(CuO2)2,-6.6894644221,-1.7678016652,0.300189055,0.2658838843,GGA,Fd-3m,A2B4C_cF56_227_c_e_b:Cu-O-Y,14.0,A2B4C_cF56_227_c_e_b:Cu-O-Y +mp-554835,KZrVF7,-6.7855959403,-3.5733600983,0.0,-0.0039809957,GGA+U,Pnna,A7BCD_oP40_52_d3e_c_d_d:F-K-V-Zr,40.0,A7BCD_oP40_52_d3e_c_d_d:F-K-V-Zr +mp-1110847,K2YAgF6,-5.464147641,-3.1652777594,0.0854140663,0.0854140663,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Ag-F-K-Y +mp-1199150,CeB2O4F,-8.4498732273,-3.3261099137,0.0230073218,0.0230073218,GGA,Pbca,A2BCD4_oP64_61_2c_c_c_4c:B-Ce-F-O,64.0,A2BCD4_oP64_61_2c_c_c_4c:B-Ce-F-O +mp-1219930,Pr4B3O10F,-8.5771562808,-3.5471471468,0.0166154482,0.0166154482,GGA,P-1,A3BC10D4_aP36_2_3i_i_10i_4i:B-F-O-Pr,36.0,A3BC10D4_aP36_2_3i_i_10i_4i:B-F-O-Pr +mp-1197562,Pr4B4O11F2,-8.4762769717,-3.5201948830000003,0.0061434654,0.0061434654,GGA,C2/c,A4B2C11D4_mC84_15_2f_f_e5f_2f:B-F-O-Pr,42.0,A4B2C11D4_mC84_15_2f_f_e5f_2f:B-F-O-Pr +mp-558716,WSNCl5,-5.3511743197,-1.0169545295,0.1059839729,0.1059839729,GGA,P2_1/c,A5BCD_mP32_14_5e_e_e_e:Cl-N-S-W,32.0,"Invalid WP multiplicities - A5BCD_mP32_14_17e_e_e_e:Cl-N-S-W, expected WSNCl17 to be WSNCl5" +mp-555688,WS2(NCl)3,-6.3080536961,-0.5540398385,0.2328591332,0.2328591332,GGA,P2_1/c,A3B3C2D_mP36_14_3e_3e_2e_e:Cl-N-S-W,36.0,"Invalid WP multiplicities - A3B3C2D_mP36_14_9e_10e_3e_e:Cl-N-S-W, expected WS3N10Cl9 to be WS2(NCl)3" +mp-728567,W(S2N)2,-5.3991941121,1.1975086804,1.6920674398000002,1.6920674398000002,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:N-S-W,28.0,A2B4C_oP28_62_2c_2cd_c:N-S-W +mp-1224064,K(V3S4)2,-7.216178752,-1.3024831319,0.0,-0.0125997214,GGA,P-3,AB8C6_hP15_147_a_dg_g:K-S-V,,AB8C6_hP15_147_a_dg_g:K-S-V +mp-676628,K(V5S8)3,-6.8793513373,-0.9632566672,0.3135915039,0.3135915039,GGA,P-1,AB24C15_aP40_2_b_12i_c7i:K-S-V,40.0,"Invalid WP multiplicities - AB24C15_aP40_2_b_23i_c13i:K-S-V, expected KV27S46 to be K(V5S8)3" +mp-1223283,KV5S8,-6.9783684429,-1.2911164263,0.0207366857,0.0207366857,GGA,C2,AB8C5_mC28_5_a_4c_b2c:K-S-V,,AB8C5_mC28_5_a_4c_b2c:K-S-V +mp-1103728,KV5S8,-6.9734502721,-1.2861982556,0.0256548564,0.0256548564,GGA,C2/m,AB8C5_mC28_12_a_4i_d2i:K-S-V,14.0,AB8C5_mC28_12_a_4i_c2i:K-S-V +mp-27889,K(V5S8)2,-7.1441629648,-1.2873978716,0.0,-0.0039315879,GGA,P2/c,AB16C10_mP54_13_e_8g_2f4g:K-S-V,54.0,"Invalid WP multiplicities - AB16C10_mP54_13_e_17g_4f8g:K-S-V, expected K(V10S17)2 to be K(V5S8)2" +mp-558121,K4Ba(VS4)2,-5.3788834417,-1.5375513215,0.0,-0.0370186763,GGA,Ibam,AB4C8D2_oI60_72_a_fj_2jk_j:Ba-K-S-V,30.0,"Invalid WP multiplicities - AB4C8D2_oI60_72_a_3f2j_7j6k_j:Ba-K-S-V, expected K10Ba(VS19)2 to be K4Ba(VS4)2" +mp-3529,K3VS4,-5.0439384531,-1.4238256558,0.0,-0.1859220659,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:K-S-V,32.0,"Invalid WP multiplicities - A3B4C_oP32_62_c2d_2c2d_c:K-S-V, expected K5VS6 to be K3VS4" +mp-1223993,K(VS2)2,-6.4088900229,-1.2911742294,0.030267849,0.030267849,GGA,Pm,AB4C2_mP7_6_a_2a2b_ab:K-S-V,7.0,AB4C2_mP7_6_a_2a2b_ab:K-S-V +mp-675593,K3(VS2)5,-6.281159415,-1.2747579783,0.066338826,0.066338826,GGA,P1,A3B10C5_aP18_1_3a_10a_5a:K-S-V,18.0,A3B10C5_aP18_1_3a_10a_5a:K-S-V +mp-705061,UAg2(WO5)2,-8.3380447382,-2.1820667656,0.0149992323,0.0149992323,GGA+U,P2_1/c,A2B10CD2_mP60_14_2e_10e_e_2e:Ag-O-U-W,60.0,"Invalid WP multiplicities - A2B10CD2_mP60_14_5e_35e_e_5e:Ag-O-U-W, expected UAg5(WO7)5 to be UAg2(WO5)2" +mp-559318,UAg2(WO5)2,-8.3325751467,-2.1765971741,0.0204688238,0.0204688238,GGA+U,Pnma,A2B10CD2_oP60_62_2c_4c3d_c_d:Ag-O-U-W,60.0,"Invalid WP multiplicities - A2B10CD2_oP60_62_3c_13c18d_c_d:Ag-O-U-W, expected UAg3W2O49 to be UAg2(WO5)2" +mp-1019777,K2La2B2O7,-7.7737403125,-3.1523236491,0.0,-0.0312302182,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-K-La-O,52.0,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-K-La-O +mp-760149,W5(O2F11)2,-6.7845465074,-2.6997096274,0.0136693221,0.0136693221,GGA+U,P-1,A22B4C5_aP62_2_22i_4i_5i:F-O-W,62.0,"Invalid WP multiplicities - A22B4C5_tI124_88_2e37f_f_2a3f:F-O-W, expected W7(OF38)2 to be W5(O2F11)2" +mp-1101179,W5(O2F11)2,-6.7839535115,-2.6991166315,0.0142623181,0.0142623181,GGA+U,I4_1/a,A22B4C5_tI124_88_e5f_f_af:F-O-W,62.0,"Invalid WP multiplicities - A22B4C5_tI124_88_2e37f_f_2a3f:F-O-W, expected W7(OF38)2 to be W5(O2F11)2" +mp-753526,WO2F,-8.4989610446,-2.3082143896,0.0201764068,0.0201764068,GGA+U,P-1,AB2C_aP24_2_cf2i_abdg4i_3i:F-O-W,24.0,"Invalid WP multiplicities - AB2C_aP24_2_cf4i_abdg7i_6i:F-O-W, expected W6O9F5 to be WO2F" +mp-753367,WO2F,-8.4605396462,-2.2697929913,0.0585978051,0.0585978051,GGA+U,Cc,AB2C_mC16_9_a_2a_a:F-O-W,8.0,"Invalid WP multiplicities - AB2C_mC16_9_a_4a_a:F-O-W, expected WO4F to be WO2F" +mp-765195,WO2F,-8.506981679999999,-2.316235025,0.0121557714,0.0121557714,GGA+U,C2/c,AB2C_mC16_15_e_f_c:F-O-W,8.0,AB2C_mC16_15_e_f_a:F-O-W +mp-2675517,WO2F,-8.5120283738,-2.3212817188,0.0071090776,0.0071090776,GGA+U,C2/c,AB2C_mC16_15_e_f_c:F-O-W,8.0,AB2C_mC16_15_e_f_a:F-O-W +mp-752961,WO2F,-8.4137151625,-2.2229685075,0.1054222889,0.1054222889,GGA+U,Imma,AB2C_oI16_74_e_g_a:F-O-W,8.0,AB2C_oI16_74_e_g_a:F-O-W +mp-759764,W(OF)2,-7.819899874,-2.4850067565,0.0025899651,0.0025899651,GGA+U,Pmc2_1,A2B2C_oP10_26_c_2a_a:F-O-W,10.0,"Invalid WP multiplicities - A2B2C_oP10_26_c_4a_a:F-O-W, expected W(O2F)2 to be W(OF)2" +mp-759856,W(OF)2,-7.819716215,-2.4848230975,0.0027736241,0.0027736241,GGA+U,Cmcm,A2B2C_oC20_63_f_g_c:F-O-W,10.0,A2B2C_oC20_63_f_g_c:F-O-W +mp-753704,WOF4,-6.8859165433000005,-2.6274607415,0.05732391,0.0479517237,GGA+U,P-1,A4BC_aP12_2_4i_i_i:F-O-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:F-O-W, expected WOF7 to be WOF4" +mp-754003,WOF4,-6.8843070125,-2.6258512106,0.0589334408,0.0495612546,GGA+U,P-1,A4BC_aP12_2_4i_i_i:F-O-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:F-O-W, expected WOF7 to be WOF4" +mp-2422872,WOF4,-6.8973505883,-2.6388947865,0.045889865,0.0365176787,GGA+U,P-1,A4BC_aP12_2_4i_i_i:F-O-W,12.0,"Invalid WP multiplicities - A4BC_aP12_2_7i_i_i:F-O-W, expected WOF7 to be WOF4" +mp-540636,WOF4,-6.9328505425,-2.6743947406,0.0103899108,0.0010177246,GGA+U,C2/m,A4BC_mC48_12_2i3j_j_gi:F-O-W,24.0,"Invalid WP multiplicities - A4BC_mC48_12_4i7j_j_gi:F-O-W, expected WOF9 to be WOF4" +mp-760185,WOF4,-6.8830950808,-2.624639279,0.0601453725,0.0507731862,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-O-W,48.0,"Invalid WP multiplicities - A4BC_mP48_14_27e_5e_3e:F-O-W, expected W3O5F27 to be WOF4" +mp-760144,WOF4,-6.9024847567,-2.6440289548,0.0407556967,0.0313835104,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-O-W,48.0,"Invalid WP multiplicities - A4BC_mP48_14_19e_3e_7e:F-O-W, expected W7O3F19 to be WOF4" +mp-753852,WOF4,-6.8871507942,-2.6286949923,0.0560896592,0.0467174729,GGA+U,P2_1/c,A4BC_mP24_14_4e_e_e:F-O-W,24.0,"Invalid WP multiplicities - A4BC_mP24_14_15e_e_e:F-O-W, expected WOF15 to be WOF4" +mp-761113,WOF4,-6.8838944919,-2.62543869,0.0593459615,0.0499737752,GGA+U,P2_1/c,A4BC_mP48_14_8e_2e_2e:F-O-W,48.0,"Invalid WP multiplicities - A4BC_mP48_14_31e_3e_3e:F-O-W, expected W3O3F31 to be WOF4" +mp-759818,WOF4,-6.8959879994,-2.6375321975,0.047252454,0.0378802677,GGA+U,C2/c,A4BC_mC96_15_8f_2f_2f:F-O-W,48.0,"Invalid WP multiplicities - A4BC_mC96_15_29f_7f_7f:F-O-W, expected W7O7F29 to be WOF4" +mp-761107,WOF4,-6.9005812406,-2.6421254388,0.0426592127,0.0332870265,GGA+U,Pca2_1,A4BC_oP48_29_8a_2a_2a:F-O-W,48.0,"Invalid WP multiplicities - A4BC_oP48_29_29a_5a_5a:F-O-W, expected W5O5F29 to be WOF4" +mp-752955,WOF4,-6.9432404533,-2.6847846515,0.0,-0.0093721863,GGA+U,I4,A4BC_tI12_79_c_a_a:F-O-W,6.0,A4BC_tI12_79_c_a_a:F-O-W +mp-753120,WOF4,-6.9318618304,-2.6734060285,0.0113786229,0.0020064367,GGA+U,I-4,A4BC_tI48_82_4g_g_g:F-O-W,24.0,"Invalid WP multiplicities - A4BC_tI48_82_11g_g_g:F-O-W, expected WOF11 to be WOF4" +mp-1193011,W2(OF3)3,-6.2938924561,-2.1539183631,0.2748687628,0.2748687628,GGA+U,P2/c,A9B3C2_mP28_13_e4g_fg_g:F-O-W,28.0,A9B3C2_mP28_13_e4g_fg_g:F-O-W +mp-1221334,Pb5W3O9F10,-6.8021170344,-2.3179461412,0.1464204531,0.1464204531,GGA+U,P1,A10B9C5D3_aP54_1_20a_18a_10a_6a:F-O-Pb-W,54.0,A10B9C5D3_aP54_1_20a_18a_10a_6a:F-O-Pb-W +mp-759488,W3O7F,-9.0166345691,-2.1609354203,0.0384615483,0.0384615483,GGA+U,Cmmm,AB7C3_oC22_65_a_chp_bg:F-O-W,11.0,"Invalid WP multiplicities - AB7C3_oC22_65_a_ch2p_bg:F-O-W, expected W3O11F to be W3O7F" +mp-760157,W7(OF5)6,-6.8234205284,-2.6901318562,0.0152672892,0.0152672892,GGA+U,P-1,A30B6C7_aP43_2_15i_3i_a3i:F-O-W,43.0,"Invalid WP multiplicities - A30B6C7_aP43_2_29i_5i_a5i:F-O-W, expected W11(O5F29)2 to be W7(OF5)6" +mp-764257,W7(OF5)6,-6.823508533,-2.6902198609,0.0151792845,0.0151792845,GGA+U,R-3,A30B6C7_hR129_148_5f_f_af:F-O-W,43.0,"Invalid WP multiplicities - A30B6C7_hR129_148_21f_f_af:F-O-W, expected W7(OF21)6 to be W7(OF5)6" +mp-760102,W2OF8,-6.8363170264,-2.6404278526,0.0387009257,0.0387009257,GGA+U,P2/c,A8BC2_mP44_13_ef7g_g_2g:F-O-W,44.0,"Invalid WP multiplicities - A8BC2_mP44_13_2e2f27g_g_3g:F-O-W, expected W3OF29 to be W2OF8" +mp-766126,W5O12F,-9.1223312206,-2.118864851,0.0518668227,0.0518668227,GGA+U,Pmma,AB12C5_oP36_51_a_ef3i2j_e2i:F-O-W,36.0,"Invalid WP multiplicities - AB12C5_oP36_51_a_2e2f5i4j_2e3i:F-O-W, expected W8O22F to be W5O12F" +mp-753808,WOF3,-7.1905235225,-2.4626723537,0.1495048635,0.1165736425,GGA+U,Cm,A3BC_mC40_8_2a5b_2ab_2ab:F-O-W,20.0,"Invalid WP multiplicities - A3BC_mC40_8_2a10b_2ab_2ab:F-O-W, expected W2O2F11 to be WOF3" +mp-753398,WOF3,-7.340028386,-2.6121772173,0.0,-0.032931221,GGA+U,P2_12_12_1,A3BC_oP20_19_3a_a_a:F-O-W,20.0,"Invalid WP multiplicities - A3BC_oP20_19_9a_a_a:F-O-W, expected WOF9 to be WOF3" +mp-766847,WOF3,-7.203203196,-2.4753520272,0.13682519,0.103893969,GGA+U,P-42_1m,A3BC_tP20_113_ef_e_e:F-O-W,20.0,"Invalid WP multiplicities - A3BC_tP20_136_3f2i_f_g:F-O-W, expected WOF7 to be WOF3" +mp-1006888,KYS2,-6.098564375,-2.1361219265,0.0,-0.1925887256,GGA,R-3m,AB2C_hR12_166_a_c_b:K-S-Y,4.0,AB2C_hR12_166_a_c_b:K-S-Y +mp-863755,KYGeS4,-5.6433222643,-1.5367940667000002,0.0,-0.0162780409,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:Ge-K-S-Y,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_7a_a:Ge-K-S-Y, expected KYGeS7 to be KYGeS4" +mp-1041627,YRe(WO4)2,-9.2216844983,-2.1882871276,0.2835712459,0.2835712459,GGA+U,P-1,A8BC2D_aP12_2_4i_a_i_e:O-Re-W-Y,12.0,"Invalid WP multiplicities - A8BC2D_aP12_2_8i_a_i_e:O-Re-W-Y, expected YRe(WO8)2 to be YRe(WO4)2" +mp-1043439,YRe(WO4)2,-9.3546335646,-2.3212361939,0.1506221796,0.1506221796,GGA+U,P2/c,A8BC2D_mP24_13_4g_e_g_f:O-Re-W-Y,24.0,A8BC2D_mP24_13_4g_e_g_f:O-Re-W-Y +mp-1211369,KNb(BO3)2,-8.305830967,-2.8807689874,0.007267611,0.007267611,GGA,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:B-K-Nb-O,20.0,A2BCD6_oP20_31_b_a_a_2a2b:B-K-Nb-O +mp-1200391,KNb(BO3)2,-8.3129707396,-2.88790876,0.0001278383,0.0001278383,GGA,Pna2_1,A2BCD6_oP160_33_8a_4a_4a_24a:B-K-Nb-O,160.0,A2BCD6_oP160_33_8a_4a_4a_24a:B-K-Nb-O +mp-557711,K3Nb3(BO6)2,-8.1990196634,-2.8813116615,0.0001627621,-0.0036275142,GGA,Pmc2_1,A2B3C3D12_oP80_26_2c_ab2c_ab2c_2a2b10c:B-K-Nb-O,80.0,"Invalid WP multiplicities - A2B3C3D12_oP80_26_5c_2a2b5c_2a2b8c_4a4b38c:B-K-Nb-O, expected K7Nb10B5O42 to be K3Nb3(BO6)2" +mp-558828,K3Nb3(BO6)2,-8.1991824255,-2.8814744236000003,0.0,-0.0037902763,GGA,P31m,A2B3C3D12_hP20_157_b_c_c_2cd:B-K-Nb-O,20.0,"Invalid WP multiplicities - A2B3C3D12_hP20_157_b_c_c_5c4d:B-K-Nb-O, expected K3Nb3B2O39 to be K3Nb3(BO6)2" +mp-15248,K3Nb3(BO6)2,-8.1955825305,-2.8778745286,0.003599895,-0.0001903813,GGA,P-62m,A2B3C3D12_hP20_189_c_g_f_fgj:B-K-Nb-O,20.0,A2B3C3D12_hP20_189_c_g_f_fgj:B-K-Nb-O +mp-24239,K(BH)6,-5.1901334419,-0.4560483772,0.0,-0.0984531638,GGA,Fm-3,A6B6C_cF104_202_h_h_c:B-H-K,26.0,A6B6C_cF104_202_h_h_c:B-H-K +mp-23950,K(BH)3,-4.8512500143,-0.3759996722,0.0474738209,0.0474738209,GGA,Fm-3m,A3B3C_cF56_225_e_e_c:B-H-K,14.0,A3B3C_cF56_225_e_e_c:B-H-K +mp-24270,K(BH)5,-5.0617919149,-0.3826111852,0.066527368,0.066527368,GGA,P2_1/c,A5B5C_mP88_14_10e_10e_2e:B-H-K,88.0,A5B5C_mP88_14_10e_10e_2e:B-H-K +mp-24814,KBH4,-3.7553120379,-0.1951962216,0.3156108762,0.0466949115,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-H-K,24.0,AB4C_oP24_62_c_2cd_c:B-H-K +mp-37722,KBH4,-4.0709229142,-0.5108070979,0.0,-0.2689159647,GGA,P4_2/nmc,AB4C_tP12_137_a_g_b:B-H-K,12.0,AB4C_tP12_137_a_g_b:B-H-K +mp-1223473,KBH4,-4.0673477617,-0.5072319454,0.0035751525,-0.2653408122,GGA,F-43m,AB4C_cF24_216_a_e_b:B-H-K,6.0,AB4C_cF24_216_a_e_b:B-H-K +mp-1198890,K(B7H6)3,-5.3269868815,-0.2658195079,0.0,-0.0145095847,GGA,C2,A21B18C_mC160_5_21c_18c_ab:B-H-K,80.0,A21B18C_mC160_5_21c_18c_ab:B-H-K +mp-1197966,KLi(BH4)2,-4.1043033879,-0.4776439116,0.0028645988,0.0028645988,GGA,Pnma,A2B8CD_oP48_62_2c_4c2d_c_c:B-H-K-Li,48.0,A2B8CD_oP48_62_2c_4c2d_c_c:B-H-K-Li +mp-757860,K2W4O13,-8.4842659326,-2.2547779295,0.0,-0.0069514759,GGA+U,P1,A2B13C4_aP57_1_6a_39a_12a:K-O-W,57.0,A2B13C4_aP57_1_6a_39a_12a:K-O-W +mp-504840,K4WO5,-6.3012430388,-2.0879260814,0.0,-0.1292885343,GGA+U,P-1,A4B5C_aP60_2_12i_15i_3i:K-O-W,60.0,A4B5C_aP60_2_12i_15i_3i:K-O-W +mp-685441,K(WO3)9,-8.9995716232,-2.207837401,0.0062435748,0.0062435748,GGA+U,P-62m,AB27C9_hP148_189_2e_6ijk5l_fg5i:K-O-W,148.0,"Invalid WP multiplicities - AB27C9_hP148_189_4e_36i6j6k48l_3f3g24i:K-O-W, expected K4(W3O16)27 to be K(WO3)9" +mp-19037,K2W2O7,-7.9943693941,-2.288562182,0.0,-0.0263437732,GGA+U,P2_1/c,A2B7C2_mP22_14_e_a3e_e:K-O-W,22.0,A2B7C2_oP22_55_h_a2gh_g:K-O-W +mp-1040472,KWO3,-7.920365188,-2.1386461259,0.0676837248,0.0676837248,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:K-O-W,5.0,AB3C_cP5_221_a_c_b:K-O-W +mp-1181389,K2W2O15,-6.2261455863,-0.8399672167000001,0.4849898361,0.4849898361,GGA+U,P-1,A2B15C2_aP38_2_2i_15i_2i:K-O-W,38.0,A2B15C2_aP38_2_2i_15i_2i:K-O-W +mp-772962,K2W3O10,-8.2992902117,-2.2618184986,0.0053469902,0.0053469902,GGA+U,P2/c,A2B10C3_mP90_13_3g_ef14g_e4g:K-O-W,90.0,"Invalid WP multiplicities - A2B10C3_mP90_13_9g_2e2f55g_2e15g:K-O-W, expected K9W16O57 to be K2W3O10" +mp-997523,K(WO3)3,-8.7260838545,-2.2257001592,0.0097663027,0.0097663027,GGA+U,P1,AB9C3_aP65_1_5a_45a_15a:K-O-W,65.0,"Invalid WP multiplicities - AB9C3_oC130_35_b3d_a2c14d24f_ac4d5f:K-O-W, expected K7W31O129 to be K(WO3)3" +mp-1178164,K(WO3)3,-8.7264362394,-2.2260525441,0.0094139178,0.0094139178,GGA+U,P2,AB9C3_mP65_3_d2e_abc21e_abc6e:K-O-W,65.0,"Invalid WP multiplicities - AB9C3_oC130_35_b3d_a2c14d24f_ac4d5f:K-O-W, expected K7W31O129 to be K(WO3)3" +mp-1178157,K(WO3)3,-8.7315243073,-2.2311406121,0.0043258498,0.0043258498,GGA+U,Cc,AB9C3_mC52_9_a_9a_3a:K-O-W,26.0,"Invalid WP multiplicities - AB9C3_mC52_9_a_17a_5a:K-O-W, expected KW5O17 to be K(WO3)3" +mp-758294,K(WO3)3,-8.6947023583,-2.1943186631,0.0411477988,0.0411477988,GGA+U,Cmm2,AB9C3_oC130_35_b2d_ac7d7f_ac2d2f:K-O-W,65.0,"Invalid WP multiplicities - AB9C3_oC130_35_b3d_a2c14d24f_ac4d5f:K-O-W, expected K7W31O129 to be K(WO3)3" +mp-1223833,K(WO3)3,-8.7277827608,-2.2273990655,0.0080673964,0.0080673964,GGA+U,P6mm,AB9C3_hP13_183_a_ce_c:K-O-W,13.0,AB9C3_hP13_183_a_ce_c:K-O-W +mp-775277,K(WO3)3,-8.7256939562,-2.2253102609,0.010156201,0.010156201,GGA+U,P6_3mc,AB9C3_hP26_186_a_3c_c:K-O-W,26.0,"Invalid WP multiplicities - AB9C3_hP26_186_a_13c_c:K-O-W, expected K(WO13)3 to be K(WO3)3" +mp-698623,K4W11O35,-7.8475104916,-1.4452078274,0.7944589575000001,0.7944589575000001,GGA+U,P1,A4B35C11_aP50_1_4a_35a_11a:K-O-W,50.0,A4B35C11_aP50_1_4a_35a_11a:K-O-W +mp-18780,K2WO4,-7.2581729264,-2.2630753594,0.0,-0.0700541777,GGA+U,C2/m,A2B4C_mC28_12_2i_2ij_i:K-O-W,14.0,A2B4C_mC28_12_2i_2ij_i:K-O-W +mp-771961,K2WO4,-7.2452492157,-2.2501516487,0.0129237107,-0.057130467,GGA+U,P2_1/c,A2B4C_mP28_14_2e_4e_e:K-O-W,28.0,"Invalid WP multiplicities - A2B4C_mP28_14_7e_15e_e:K-O-W, expected K7WO15 to be K2WO4" +mp-685308,KW5O13,-8.8570167079,-2.0039639004,0.1689914854,0.1689914854,GGA+U,P1,AB13C5_aP114_1_6a_78a_30a:K-O-W,114.0,AB13C5_aP114_1_6a_78a_30a:K-O-W +mp-761779,K9(WO3)20,-8.6015513194,-2.2424780858,0.0,-0.0100066978,GGA+U,P-1,A9B60C20_aP89_2_a4i_30i_bcef8i:K-O-W,89.0,"Invalid WP multiplicities - A9B60C20_aP89_2_a8i_58i_bcef16i:K-O-W, expected K17(W9O29)4 to be K9(WO3)20" +mp-757677,K9(WO3)20,-8.5842175697,-2.225144336,0.0173337498,0.007327052,GGA+U,I4/m,A9B60C20_tI178_87_a2h_5h5i_f2i:K-O-W,89.0,"Invalid WP multiplicities - A9B60C20_tI178_87_a7h_19h20i_2f4i:K-O-W, expected K29(W10O59)4 to be K9(WO3)20" +mp-29347,K2WO8,-6.2922055962,-1.3147112495,0.1254276156,0.1254276156,GGA+U,R-3c,A2B8C_hR198_167_bce_4f_e:K-O-W,66.0,"Invalid WP multiplicities - A2B8C_hR198_167_bce_5f_e:K-O-W, expected K2WO10 to be K2WO8" +mp-17870,KYb(WO4)2,-8.0923932512,-2.4140784698,0.0,-0.000117409,GGA+U,C2/c,AB8C2D_mC48_15_e_4f_f_e:K-O-W-Yb,,AB8C2D_mC48_15_e_4f_f_e:K-O-W-Yb +mp-675140,K(WO3)6,-8.9392897472,-2.223306662,0.0014620652,-0.009410043,GGA+U,P-31m,AB18C6_hP25_162_a_fgl_k:K-O-W,25.0,"Invalid WP multiplicities - AB18C6_hP25_162_a_3f3g4l_k:K-O-W, expected K(WO11)6 to be K(WO3)6" +mp-34278,K(WO3)6,-8.9407518124,-2.2247687272,0.0,-0.0108721082,GGA+U,P6/mmm,AB18C6_hP25_191_a_fgo_i:K-O-W,25.0,"Invalid WP multiplicities - AB18C6_hP25_191_a_3f3g4o_i:K-O-W, expected K(WO11)6 to be K(WO3)6" +mp-1097834,K2W2O5,-7.6750728439,-1.8005726316,0.3052510363,0.3052510363,GGA+U,P1,A2B5C2_aP18_1_4a_10a_4a:K-O-W,18.0,A2B5C2_aP18_1_4a_10a_4a:K-O-W +mp-1332956,K2W2O5,-5.6292923139,0.2452078984,2.3510315663,2.3510315663,GGA+U,P1,A2B5C2_aP18_1_4a_10a_4a:K-O-W,18.0,A2B5C2_aP18_1_4a_10a_4a:K-O-W +mp-1097805,K2W2O5,-7.6630682917,-1.7885680794,0.3172555885,0.3172555885,GGA+U,P-1,A2B5C2_aP18_2_2i_bf4i_aei:K-O-W,18.0,A2B5C2_mC36_15_f_c2f_ae:K-O-W +mp-1376023,K2W2O5,-5.7988928244,0.0756073878,2.1814310557,2.1814310557,GGA+U,P-1,A2B5C2_aP18_2_2i_bf4i_aei:K-O-W,18.0,"Invalid WP multiplicities - A2B5C2_aP18_2_2i_bf5i_aei:K-O-W, expected KWO3 to be K2W2O5" +mp-1076391,K2W2O5,-7.6503082689,-1.7758080566,0.3300156113,0.3300156113,GGA+U,Ima2,A2B5C2_oI36_46_c_b2c_ab:K-O-W,18.0,A2B5C2_oI36_46_c_b2c_ab:K-O-W +mp-556997,Dy3BWO9,-8.9572699875,-3.3874070645,0.0032527068,0.0032527068,GGA+U,P6_3,AB3C9D_hP28_173_a_c_3c_b:B-Dy-O-W,28.0,"Invalid WP multiplicities - AB3C9D_hP28_173_a_c_11c_b:B-Dy-O-W, expected Dy3BWO33 to be Dy3BWO9" +mp-1192160,DyB4W,-7.9767674558,-0.5963534303,0.0,-0.0666179641,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Dy-W,24.0,A4BC_oP24_55_4h_g_g:B-Dy-W +mp-1191614,Dy3B7W,-7.2710434595,-0.5861131736,0.0,-0.03119212,GGA,Cmcm,A7B3C_oC44_63_c3f_cf_c:B-Dy-W,22.0,A7B3C_oC44_63_c3f_cf_c:B-Dy-W +mp-1100889,Y3B3O7,-8.56317748,-2.8659152007,0.4314124761,0.4314124761,GGA,Amm2,A3B7C3_oC52_38_ab2c_7c_3c:B-O-Y,26.0,"Invalid WP multiplicities - A3B7C3_oC52_38_ab2c_12c_4c:B-O-Y, expected Y4(BO4)3 to be Y3B3O7" +mp-754903,Y(BO2)3,-8.776311013,-3.1578331437,0.0073502525,0.0073502525,GGA,C2/c,A3B6C_mC40_15_ef_3f_e:B-O-Y,20.0,"Invalid WP multiplicities - A3B6C_mC40_15_2ef_9f_e:B-O-Y, expected Y(B2O9)2 to be Y(BO2)3" +mp-768887,Y(BO2)3,-8.7545345205,-3.1360566512,0.029126745,0.029126745,GGA,Pca2_1,A3B6C_oP40_29_3a_6a_a:B-O-Y,40.0,"Invalid WP multiplicities - A3B6C_oP40_29_9a_21a_a:B-O-Y, expected Y(B3O7)3 to be Y(BO2)3" +mp-1200404,Y(BO2)6,-8.2196044537,-2.6457578077,0.1249254348,0.1249254348,GGA,R3c,A6B12C_hR114_161_2b_4b_a:B-O-Y,38.0,A6B12C_hR114_161_2b_4b_a:B-O-Y +mp-768961,YB5O9,-8.6681486785,-3.0425734539,0.0004887056,0.0004887056,GGA,P2_1/c,A5B9C_mP60_14_5e_9e_e:B-O-Y,60.0,"Invalid WP multiplicities - A5B9C_mP60_14_19e_35e_e:B-O-Y, expected YB19O35 to be YB5O9" +mp-760457,YBO3,-9.043673593,-3.4464877894,0.0850593167,-0.0173712091,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Y,10.0,"Invalid WP multiplicities - AB3C_oC20_40_b_2b2c_a:B-O-Y, expected YBO6 to be YBO3" +mp-1100876,YBO3,-9.052236671,-3.4550508674,0.0764962387,-0.0259342871,GGA,Ama2,AB3C_oC20_40_b_bc_a:B-O-Y,10.0,"Invalid WP multiplicities - AB3C_oC20_40_b_2bc_a:B-O-Y, expected YBO4 to be YBO3" +mp-1100874,YBO3,-9.092416329,-3.4952305254,0.0363165807,-0.0661139451,GGA,Pnma,AB3C_oP20_62_c_cd_a:B-O-Y,20.0,"Invalid WP multiplicities - AB3C_oP20_62_c_2c3d_a:B-O-Y, expected YBO8 to be YBO3" +mp-29205,YBO3,-9.1287329097,-3.5315471061,0.0,-0.1024305257,GGA,Cmcm,AB3C_oC60_63_cg_cfgh_ae:B-O-Y,30.0,AB3C_oC60_63_c2g_cf2g2h_a2e:B-O-Y +mp-1216067,YBO3,-9.078990353,-3.4818045494,0.0497425567,-0.0526879691,GGA,Cmcm,AB3C_oC20_63_c_cf_a:B-O-Y,10.0,AB3C_oC20_63_c_cf_a:B-O-Y +mp-20450,YCrB4,-7.7927651646,-0.6532508868,0.0,-0.090978475,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Cr-Y,24.0,A4BC_oP24_55_4h_g_g:B-Cr-Y +mp-1232521,YCr(BO3)2,-8.983379405,-3.0675359657,0.0086785638,0.0086785638,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:B-Cr-O-Y,40.0,A2BC6D_hR30_148_c_a_f_b:B-Cr-O-Y +mp-675766,K4CO6,-5.2749543482,-1.3340094802,0.3262217298,0.3262217298,GGA,P1,AB4C6_aP11_1_a_4a_6a:C-K-O,11.0,AB4C6_aP11_1_a_4a_6a:C-K-O +mp-1197458,K4Th(C2O5)4,-6.994525007,-1.4000234251,0.7328456405,0.7328456405,GGA,P-1,A8B4C20D_aP66_2_8i_4i_20i_i:C-K-O-Th,66.0,A8B4C20D_aP66_2_8i_4i_20i_i:C-K-O-Th +mp-3963,K2CO3,-6.4993026937,-2.1177144404,0.0,-0.3560700283,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:C-K-O,24.0,AB2C3_mP24_14_e_2e_3e:C-K-O +mp-554072,K2CO3,-6.4970135558,-2.1154253025,0.0022891379,-0.3537808904,GGA,C2/c,AB2C3_mC24_15_e_ae_ef:C-K-O,12.0,"Invalid WP multiplicities - AB2C3_mC24_15_e_ce_e2f:C-K-O, expected K2CO5 to be K2CO3" +mp-10662,K2CO3,-6.4922650592,-2.1106768058,0.0070376346,-0.3490323937,GGA,P6_3/mmc,AB2C3_hP12_194_c_ad_h:C-K-O,12.0,AB2C3_hP12_194_c_ad_h:C-K-O +mp-35889,K4C2O3,-5.1445372778,-0.9513158437,0.4648405935,0.4648405935,GGA,P1,A2B4C3_aP9_1_2a_4a_3a:C-K-O,9.0,A2B4C3_aP9_1_2a_4a_3a:C-K-O +mp-1070737,K3CO,-3.312135066,0.189175143,1.0414770915,1.0414770915,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-K-O,5.0,AB3C_cP5_221_a_c_b:C-K-O +mp-560616,KCO2,-6.96488518,-1.9067747145,0.013450603,0.013450603,GGA,Pbam,ABC2_oP16_55_g_h_2g:C-K-O,16.0,"Invalid WP multiplicities - ABC2_oP16_55_g_h_6g:C-K-O, expected KCO6 to be KCO2" +mp-1211856,K4C2O9,-5.8734927227,-1.3788843777,0.3152871746,0.3152871746,GGA,C2/c,A2B4C9_mC60_15_f_2ef_e4f:C-K-O,30.0,A2B4C9_mC60_15_f_2ef_e4f:C-K-O +mp-1105868,KCO3,-6.8399012805,-1.8040751659,0.011834445,-0.0023433221,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-K-O,20.0,ABC3_mP20_14_e_e_3e:C-K-O +mp-1106094,KCO3,-6.8517357255,-1.8159096108,0.0,-0.0141777671,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:C-K-O,20.0,ABC3_mP20_14_e_e_3e:C-K-O +mp-1182825,K4CO4,-4.6823563022,-0.9649100661,0.8629937781,0.8629937781,GGA,P1,AB4C4_aP9_1_a_4a_4a:C-K-O,9.0,AB4C4_aP9_1_a_4a_4a:C-K-O +mp-551561,K4CO4,-5.3568026289,-1.6393563927,0.1885474514,0.1885474514,GGA,C2,AB4C4_mC18_5_a_2c_2c:C-K-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_5_a_4c_2c:C-K-O, expected K8CO4 to be K4CO4" +mp-605843,K4CO4,-5.3543056033,-1.6368593672,0.1910444769,0.1910444769,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-K-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_2a2b_2ab:C-K-O, expected K6CO4 to be K4CO4" +mp-550547,K4CO4,-5.28442334,-1.5669771038,0.2609267403,0.2609267403,GGA,Cm,AB4C4_mC18_8_a_2b_2ab:C-K-O,9.0,"Invalid WP multiplicities - AB4C4_mC18_8_a_3b_2a2b:C-K-O, expected K6CO6 to be K4CO4" +mp-550895,K4CO4,-5.3243276622,-1.6068814261000002,0.2210224181,0.2210224181,GGA,Cm,AB4C4_mC18_8_a_2ab_2ab:C-K-O,9.0,AB4C4_mC18_8_a_2ab_2ab:C-K-O +mp-546643,K4CO4,-5.3505043011,-1.6330580649000002,0.1948457792,0.1948457792,GGA,I-4,AB4C4_tI18_82_a_g_g:C-K-O,9.0,AB4C4_tI18_82_a_g_g:C-K-O +mp-572537,K4CO4,-5.3844409589,-1.6669947227000002,0.1609091214,0.1609091214,GGA,P4_2/n,AB4C4_tP18_86_a_g_g:C-K-O,18.0,AB4C4_tP18_86_a_g_g:C-K-O +mp-549687,K4CO4,-5.3625098267,-1.6450635905,0.1828402536,0.1828402536,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-K-O,9.0,AB4C4_tI18_121_a_i_i:C-K-O +mp-549869,K4CO4,-5.3508514633,-1.6334052272,0.1944986169,0.1944986169,GGA,I-42m,AB4C4_tI18_121_a_i_i:C-K-O,9.0,AB4C4_tI18_121_a_i_i:C-K-O +mp-545387,K4CO4,-5.26149127,-1.5440450338,0.2838588103,0.2838588103,GGA,R3,AB4C4_hR27_146_a_ab_ab:C-K-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_146_a_a2b_a2b:C-K-O, expected K7CO7 to be K4CO4" +mp-545630,K4CO4,-5.2606504922,-1.5432042561,0.2846995881,0.2846995881,GGA,R3m,AB4C4_hR27_160_a_ab_ab:C-K-O,9.0,"Invalid WP multiplicities - AB4C4_hR27_160_a_ab_a2b:C-K-O, expected K4CO7 to be K4CO4" +mp-551736,K4CO4,-5.2628187033,-1.5453724672,0.2825313769,0.2825313769,GGA,P-43m,AB4C4_cP9_215_a_e_e:C-K-O,9.0,AB4C4_cP9_215_a_e_e:C-K-O +mp-574029,KC4N3,-7.91243856,-0.0331203485,0.2571553074,0.2571553074,GGA,P-1,A4BC3_aP16_2_4i_i_3i:C-K-N,16.0,"Invalid WP multiplicities - A4BC3_aP16_2_7i_i_6i:C-K-N, expected KC7N6 to be KC4N3" +mp-10408,K2CN2,-6.241317896,-0.6168272487,0.0,-0.1278112355,GGA,C2/m,AB2C2_mC10_12_a_i_i:C-K-N,5.0,AB2C2_mC10_12_a_i_i:C-K-N +mp-676693,KCN,-5.9855156883,0.2396707665,0.7536934737000001,0.7536934737000001,GGA,P1,ABC_aP12_1_4a_4a_4a:C-K-N,12.0,ABC_aP12_1_4a_4a_4a:C-K-N +mp-1223490,KCN,-6.61317316,-0.3879867052,0.1260360021,0.1260360021,GGA,P1,ABC_aP12_1_4a_4a_4a:C-K-N,12.0,ABC_aP12_1_4a_4a_4a:C-K-N +mp-20134,KCN,-6.5700904067,-0.3449039518,0.1691187554,0.1691187554,GGA,Cm,ABC_mC6_8_a_a_a:C-K-N,3.0,ABC_mC6_8_a_a_a:C-K-N +mp-1180837,KCN,-5.7700603567,0.4551260982,0.9691488054,0.9691488054,GGA,Cm,ABC_mC6_8_a_a_a:C-K-N,3.0,ABC_mC6_8_a_a_a:C-K-N +mp-1077078,KCN,-6.6136516033,-0.3884651485,0.1255575587,0.1255575587,GGA,Cc,ABC_mC12_9_a_a_a:C-K-N,6.0,ABC_mC12_9_a_a_a:C-K-N +mp-35035,KCN,-6.60000859,-0.3748221352,0.1392005721,0.1392005721,GGA,Imm2,ABC_oI6_44_a_b_a:C-K-N,3.0,ABC_oI6_44_a_b_a:C-K-N +mp-1211608,KCN2,-6.85978988,-0.1067763076,0.3559189563,0.3559189563,GGA,I4/mcm,ABC2_tI16_140_d_a_h:C-K-N,8.0,ABC2_tI16_140_d_a_h:C-K-N +mp-637235,KC2N3,-7.69638878,-0.2668529955,0.1201812124,0.0117070408,GGA,P2_1/c,A2BC3_mP24_14_2e_e_3e:C-K-N,24.0,"Invalid WP multiplicities - A2BC3_mP24_14_5e_e_8e:C-K-N, expected KC5N8 to be KC2N3" +mp-567823,KC2N3,-7.8165699924,-0.3870342079,0.0,-0.1084741715,GGA,P2_1/c,A2BC3_mP72_14_6e_3e_9e:C-K-N,72.0,"Invalid WP multiplicities - A2BC3_mP72_14_22e_9e_28e:C-K-N, expected K9(C11N14)2 to be KC2N3" +mp-1181186,KC2N3,-7.0890586721,0.3404771124,0.7275113203,0.6190371487,GGA,P2_1/c,A2BC3_mP24_14_2e_e_3e:C-K-N,24.0,A2BC3_mP24_14_2e_e_3e:C-K-N +mp-571394,KC2N3,-7.6903485229,-0.2608127384,0.1262214694,0.0177472979,GGA,Pbcm,A2BC3_oP24_57_2d_c_3d:C-K-N,24.0,"Invalid WP multiplicities - A2BC3_oP24_57_7d_c_11d:C-K-N, expected KC7N11 to be KC2N3" +mp-637256,KC2N3,-7.6962650846,-0.2667293001,0.1203049078,0.0118307362,GGA,Pnma,A2BC3_oP24_62_2c_c_3c:C-K-N,24.0,"Invalid WP multiplicities - A2BC3_oP24_62_6c_c_8c:C-K-N, expected K(C3N4)2 to be KC2N3" +mp-569711,K5Nb(CN)8,-7.4586117532,-0.3597670661,0.1433546556,0.1433546556,GGA,I-4,A8B5C8D_tI44_82_2g_ag_2g_c:C-K-N-Nb,22.0,"Invalid WP multiplicities - A8B5C8D_tI44_82_8g_ag_6g_c:C-K-N-Nb, expected K5Nb(C4N3)8 to be K5Nb(CN)8" +mp-1029504,KNbN2,-7.9094499805,-0.9382765212,0.0,-0.1627990424,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-Nb,64.0,AB2C_oP64_61_2c_4c_2c:K-N-Nb +mp-1103814,K5(CN2)3,-6.4708714971,-0.5239457284,0.0488438104,0.0488438104,GGA,Im-3m,A3B5C6_cI28_229_b_ac_e:C-K-N,14.0,A3B5C6_cI28_229_b_ac_e:C-K-N +mp-1047387,YCr(WO4)2,-9.3126871813,-2.5119131201,0.1167491907,0.1167491907,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Cr-O-W-Y,24.0,"Invalid WP multiplicities - AB8C2D_aP12_1_a_8a_4a_a:Cr-O-W-Y, expected YCr(WO2)4 to be YCr(WO4)2" +mp-1042879,YCr(WO4)2,-9.3627223721,-2.561948311,0.0667139999,0.0667139999,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Cr-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Cr-O-W-Y +mp-28052,B9H11C2,-5.3689199634,-0.1011088989,0.1051498588,0.1051498588,GGA,C2/c,A9B2C11_mC352_15_18f_4f_22f:B-C-H,176.0,"Invalid WP multiplicities - A9B2C11_mC352_15_20f_4f_27f:B-C-H, expected B20H27C4 to be B9H11C2" +mp-1200055,H3CSe,-4.7653317318,-0.1847807107,0.0060034639,0.0060034639,GGA,Fdd2,AB3C_oF160_43_2b_6b_2b:C-H-Se,40.0,AB3C_oF160_43_2b_6b_2b:C-H-Se +mp-29655,B2H4C,-5.2963279632,-0.1308489326,0.0852106172,0.0852106172,GGA,P2_1/c,A2BC4_mP56_14_4e_2e_8e:B-C-H,56.0,A2BC4_mP56_14_4e_2e_8e:B-C-H +mp-1214830,B(HC)2,-5.7088121453,0.6756228238,0.8278984960000001,0.8278984960000001,GGA,P-1,AB2C2_aP30_2_3i_6i_6i:B-C-H,30.0,AB2C2_aP30_2_3i_6i_6i:B-C-H +mp-1229024,B10H11C2,-5.5328716088,-0.2036874702,0.0,-0.0209998174,GGA,P2_1/c,A10B2C11_mP92_14_10e_2e_11e:B-C-H,92.0,A10B2C11_mP92_14_10e_2e_11e:B-C-H +mp-1194548,B10H11C2,-5.4756278342,-0.1464436956,0.0572437746,0.0362439572,GGA,C2/c,A10B2C11_mC184_15_10f_2f_11f:B-C-H,92.0,A10B2C11_mC184_15_10f_2f_11f:B-C-H +mp-1199920,B10H16CSe,-4.8830537729,-0.1044069372,0.1098363634,0.1098363634,GGA,P2_1/c,A10BC16D_mP112_14_10e_e_16e_e:B-C-H-Se,112.0,A10BC16D_mP112_14_10e_e_16e_e:B-C-H-Se +mp-1218036,Ta8V(CS2)4,-9.3946527505,-1.1112057021,0.0099897321,0.0099897321,GGA,R-3m,A4B8C8D_hR63_166_bd_ch_ch_a:C-S-Ta-V,21.0,"Invalid WP multiplicities - A4B8C8D_hR63_166_b2d_2c2h_2c2h_a:C-S-Ta-V, expected Ta16VC7S16 to be Ta8V(CS2)4" +mp-1198275,PrV2IO9,-7.6029152481,-2.2996627368,0.0,-0.0067669844,GGA+U,Pbcm,AB9CD2_oP52_57_d_c4d2e_d_cd:I-O-Pr-V,52.0,AB9CD2_oP52_57_d_c4d2e_d_cd:I-O-Pr-V +mp-1197271,EuV2IO9,-7.860530266,-2.1360395974,0.0034509853,0.0034509853,GGA+U,Pbcm,ABC9D2_oP52_57_d_d_c4d2e_cd:Eu-I-O-V,52.0,ABC9D2_oP52_57_d_d_c4d2e_cd:Eu-I-O-V +mp-581324,Ba2VI5O17,-5.7209812659,-1.5456854342000002,0.0049074341,0.0049074341,GGA+U,P2_1/c,A2B5C17D_mP100_14_2e_5e_17e_e:Ba-I-O-V,100.0,"Invalid WP multiplicities - A2B5C17D_mP100_14_5e_17e_63e_e:Ba-I-O-V, expected Ba5VI17O63 to be Ba2VI5O17" +mp-1111119,K2YInF6,-5.553084419,-3.2623017648,0.1401387026,0.1401387026,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-K-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-K-Y +mp-1221127,NaU4V3O20,-9.2357218414,-3.0688054926,0.0021014087,0.0021014087,GGA+U,C2/c,AB20C4D3_mC112_15_a_10f_2f_ef:Na-O-U-V,56.0,"Invalid WP multiplicities - AB20C4D3_mC112_15_c_26f_2f_ef:Na-O-U-V, expected NaU4V3O52 to be NaU4V3O20" +mp-1202065,NaUVO6,-8.6385250458,-2.929861308,0.0,-0.0016074308,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Na-O-U-V,36.0,AB6CD_mP36_14_e_6e_e_e:Na-O-U-V +mp-1221190,NaUVO7,-8.0736135303,-2.441147295,0.1957278821,0.1957278821,GGA+U,Pc,AB7CD_mP40_7_2a_14a_2a_2a:Na-O-U-V,40.0,"Invalid WP multiplicities - AB7CD_mP40_7_2a_21a_3a_3a:Na-O-U-V, expected Na2U3V3O21 to be NaUVO7" +mp-700033,Na6U5V2O23,-8.5210805397,-3.0673623644,0.0,-0.0007482986,GGA+U,P2_1/c,A6B23C5D2_mP144_14_6e_23e_5e_2e:Na-O-U-V,144.0,"Invalid WP multiplicities - A6B23C5D2_mP144_14_22e_88e_16e_6e:Na-O-U-V, expected Na11U8V3O44 to be Na6U5V2O23" +mp-1215812,YV2Fe10N,-8.5874500593,-0.1823793251,0.1577027114,0.1577027114,GGA,Immm,A10BC2D_oI28_71_efgk_a_h_c:Fe-N-V-Y,14.0,A10BC2D_oI28_71_efgk_a_h_c:Fe-N-V-Y +mp-1212044,KCaV2F9,-6.4080149454,-3.4474671243,0.0181169503,0.0181169503,GGA+U,C222_1,AB9CD2_oC156_20_bc_a13c_ac_3c:Ca-F-K-V,78.0,AB9CD2_oC156_20_bc_a13c_ac_3c:Ca-F-K-V +mp-625961,H5IO6,-5.0012357071,-0.9914749702,0.0349291449,0.0349291449,GGA,P1,A5BC6_aP48_1_20a_4a_24a:H-I-O,48.0,A5BC6_aP48_1_20a_4a_24a:H-I-O +mp-626014,H5IO6,-4.9710267392,-0.9612660023,0.0651381128,0.0651381128,GGA,P1,A5BC6_aP48_1_20a_4a_24a:H-I-O,48.0,A5BC6_aP48_1_20a_4a_24a:H-I-O +mp-1181667,H5IO6,-4.9859838069,-0.97622307,0.0501810451,0.0501810451,GGA,P1,A5BC6_aP48_1_20a_4a_24a:H-I-O,48.0,A5BC6_aP48_1_20a_4a_24a:H-I-O +mp-625274,H5IO6,-4.9852587565,-0.9754980196,0.0509060955,0.0509060955,GGA,P2_1,A5BC6_mP48_4_10a_2a_12a:H-I-O,48.0,"Invalid WP multiplicities - A5BC6_mP48_4_14a_3a_18a:H-I-O, expected H14(IO6)3 to be H5IO6" +mp-625890,H5IO6,-4.9894143427,-0.9796536058,0.0467505093,0.0467505093,GGA,P2_1,A5BC6_mP48_4_10a_2a_12a:H-I-O,48.0,"Invalid WP multiplicities - A5BC6_mP48_4_14a_3a_18a:H-I-O, expected H14(IO6)3 to be H5IO6" +mp-1181371,H5IO6,-5.0089494063,-0.9991886694,0.0272154457,0.0272154457,GGA,P2_1,A5BC6_mP48_4_10a_2a_12a:H-I-O,48.0,"Invalid WP multiplicities - A5BC6_mP48_4_14a_3a_18a:H-I-O, expected H14(IO6)3 to be H5IO6" +mp-625256,H5IO6,-5.0025680085,-0.9928072717,0.0335968434,0.0335968434,GGA,Pc,A5BC6_mP48_7_10a_2a_12a:H-I-O,48.0,A5BC6_mP48_7_10a_2a_12a:H-I-O +mp-625174,H5IO6,-5.0129553358,-1.003194599,0.0232095161,0.0232095161,GGA,P2_1/c,A5BC6_mP48_14_5e_e_6e:H-I-O,48.0,A5BC6_mP48_14_5e_e_6e:H-I-O +mp-27773,H5IO6,-5.019453041,-1.0096923042,0.0167118109,0.0167118109,GGA,P2_1/c,A5BC6_mP48_14_5e_e_6e:H-I-O,48.0,"Invalid WP multiplicities - A5BC6_mP48_14_5e_e_12e:H-I-O, expected H5IO12 to be H5IO6" +mp-697025,HI,-2.6352469844,-0.2022007869,0.0,-0.0454478352,GGA,C2/c,AB_mC32_15_2f_2f:H-I,16.0,AB_mC32_15_2f_2f:H-I +mp-643069,Li2HIO,-4.398880745,-1.6727553771,0.0,-0.025606209,GGA,Pnma,ABC2D_oP20_62_c_c_d_c:H-I-Li-O,20.0,ABC2D_oP20_62_c_c_d_c:H-I-Li-O +mp-23963,HIO3,-4.849783467,-0.9085517613,0.0163532905,0.0163532905,GGA,P2_12_12_1,ABC3_oP20_19_a_a_3a:H-I-O,20.0,ABC3_oP20_19_a_a_3a:H-I-O +mp-556216,HIO3,-4.8480139358,-0.90678223,0.0181228218,0.0181228218,GGA,Pbca,ABC3_oP40_61_c_c_3c:H-I-O,40.0,"Invalid WP multiplicities - ABC3_oP40_61_c_c_20c:H-I-O, expected HIO20 to be HIO3" +mp-1184859,HI3,-2.1883357013,-0.2351294275,0.0,-0.1340290341,GGA,P-1,AB3_aP8_2_i_3i:H-I,8.0,"Invalid WP multiplicities - AB3_aP8_2_i_6i:H-I, expected HI6 to be HI3" +mp-625928,HI3O8,-4.7627735637,-0.8139123317,0.0217054779,0.0217054779,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:H-I-O,48.0,AB3C8_mP48_14_e_3e_8e:H-I-O +mp-542694,HI3O8,-4.7767094785,-0.8278482465,0.0077695631,0.0077695631,GGA,P2_1/c,AB3C8_mP48_14_e_3e_8e:H-I-O,48.0,AB3C8_mP48_14_e_3e_8e:H-I-O +mp-1224433,HIO4,-4.8209769708,-0.7121690975,0.0585851123,0.0585851123,GGA,C2,ABC4_mC24_5_c_ab_4c:H-I-O,12.0,ABC4_mC24_5_c_ab_4c:H-I-O +mp-676362,HIO4,-4.81526585,-0.7064579767,0.0642962331,0.0642962331,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:H-I-O,24.0,"Invalid WP multiplicities - ABC4_mP24_14_e_e_13e:H-I-O, expected HIO13 to be HIO4" +mp-643708,LiH2IO,-4.377305135,-1.3544191314,0.001135803,-0.0061277205,GGA,P2/m,A2BCD_mP10_10_o_n_ac_m:H-I-Li-O,10.0,A2BCD_oP10_51_k_f_a_e:H-I-Li-O +mp-1180504,LiH2IO,-4.378440938,-1.3555549344,0.0,-0.0072635235,GGA,Pmma,A2BCD_oP10_51_k_f_a_e:H-I-Li-O,10.0,A2BCD_oP10_51_k_f_a_e:H-I-Li-O +mp-1335741,Zr3Ti(PbO3)4,-6.6750098105,-1.2875374744,1.5527242826,1.5527242826,GGA,P1,A12B4CD3_aP20_1_12a_4a_a_3a:O-Pb-Ti-Zr,20.0,A12B4CD3_aP20_1_12a_4a_a_3a:O-Pb-Ti-Zr +mp-1215936,Zr3Ti(PbO3)4,-8.2002077595,-2.8127354234,0.0275263336,0.0275263336,GGA,Pm,A12B4CD3_mP20_6_ab5c_abc_a_bc:O-Pb-Ti-Zr,20.0,"Invalid WP multiplicities - A12B4CD3_mP20_6_ab10c_ab2c_a_b2c:O-Pb-Ti-Zr, expected Zr5Ti(Pb3O11)2 to be Zr3Ti(PbO3)4" +mp-1216434,Zr4Ti(PbO3)5,-8.2099885214,-2.8159940992,0.0315282309,0.0315282309,GGA,P1,A15B5CD4_aP50_1_30a_10a_2a_8a:O-Pb-Ti-Zr,50.0,A15B5CD4_aP50_1_30a_10a_2a_8a:O-Pb-Ti-Zr +mp-1350831,Zr4Ti(PbO3)5,-7.9766504424,-2.5826560202,0.2648663098,0.2648663098,GGA,P1,A15B5CD4_aP50_1_30a_10a_2a_8a:O-Pb-Ti-Zr,50.0,A15B5CD4_aP50_1_30a_10a_2a_8a:O-Pb-Ti-Zr +mp-1215653,Zr4Ti(PbO3)5,-8.2105772408,-2.8165828186,0.0309395114,0.0309395114,GGA,Cm,A15B5CD4_mC50_8_5a5b_5a_a_4a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5CD4_mC50_8_5a10b_5a_a_4a:O-Pb-Ti-Zr, expected Zr4Ti(PbO5)5 to be Zr4Ti(PbO3)5" +mp-1215944,Zr2Ti(PbO3)3,-8.178980572,-2.8023783795,0.0257824225,0.0257824225,GGA,Cm,A9B3CD2_mC30_8_a4b_ab_a_b:O-Pb-Ti-Zr,15.0,"Invalid WP multiplicities - A9B3CD2_mC30_8_a7b_a2b_a_b:O-Pb-Ti-Zr, expected Zr2Ti(PbO3)5 to be Zr2Ti(PbO3)3" +mp-1215967,Zr2Ti(PbO3)3,-8.1759208927,-2.7993187001,0.0288421019,0.0288421019,GGA,Cm,A9B3CD2_mC30_8_3a3b_3a_a_2a:O-Pb-Ti-Zr,15.0,"Invalid WP multiplicities - A9B3CD2_mC30_8_3a6b_3a_a_2a:O-Pb-Ti-Zr, expected Zr2Ti(PbO5)3 to be Zr2Ti(PbO3)3" +mp-1215873,Zr2Ti(PbO3)3,-8.1696809133,-2.7930787208,0.0350820812,0.0350820812,GGA,P3m1,A9B3CD2_hP15_156_3d_abc_a_bc:O-Pb-Ti-Zr,15.0,"Invalid WP multiplicities - A9B3CD2_hP15_156_9d_abc_a_bc:O-Pb-Ti-Zr, expected Zr2Ti(PbO9)3 to be Zr2Ti(PbO3)3" +mp-1216408,Zr2Ti3(PbO3)5,-7.6345473908,-2.2927296577,0.4967080883,0.4967080883,GGA,Cm,A15B5C3D2_mC50_8_5a5b_5a_3a_2a:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C3D2_mC50_8_5a10b_5a_3a_2a:O-Pb-Ti-Zr, expected Zr2Ti3(PbO5)5 to be Zr2Ti3(PbO3)5" +mp-1216039,Zr2Ti3(PbO3)5,-8.1064573436,-2.7646396105,0.0247981355,0.0247981355,GGA,Pmm2,A15B5C3D2_oP25_25_abc4e2f_d2f_ae_e:O-Pb-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C3D2_oP25_25_abc7e4f_d3f_a2e_e:O-Pb-Ti-Zr, expected Zr2Ti5Pb7O25 to be Zr2Ti3(PbO3)5" +mp-1216998,Zr5Ti5Pb6,-6.682205765,-0.1514654117,0.0,-0.053291231,GGA,Amm2,A6B5C5_oC32_38_abde_af_bde:Pb-Ti-Zr,16.0,A6B5C5_oC32_38_abde_af_bde:Pb-Ti-Zr +mp-1027932,Mg14ZrTi,-2.3722645225,0.0556800617,0.0744641627,0.0744641627,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ti-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ti-Zr, expected Mg18ZrTi to be Mg14ZrTi" +mp-1027919,Mg14ZrTi,-2.3434616019,0.0844829823,0.1032670834,0.1032670834,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ti-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ti-Zr, expected Mg26ZrTi to be Mg14ZrTi" +mp-1022541,Mg6ZrTi,-3.1079422638,0.1476668546,0.1637675127,0.1637675127,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ti-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ti-Zr, expected Mg12ZrTi to be Mg6ZrTi" +mp-1022545,Mg6ZrTi,-3.1472257856,0.1083833327,0.1244839908,0.1244839908,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ti-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ti-Zr, expected Mg12ZrTi to be Mg6ZrTi" +mp-1215294,ZrTi(PbO3)2,-8.130514585,-2.7756526796000003,0.0283062124,0.0283062124,GGA,P1,A6B2CD_aP10_1_6a_2a_a_a:O-Pb-Ti-Zr,10.0,A6B2CD_aP10_1_6a_2a_a_a:O-Pb-Ti-Zr +mp-1215309,ZrTi(PbO3)2,-8.128936633,-2.7740747276,0.0298841644,0.0298841644,GGA,P1,A6B2CD_aP10_1_6a_2a_a_a:O-Pb-Ti-Zr,10.0,A6B2CD_aP10_1_6a_2a_a_a:O-Pb-Ti-Zr +mp-1079056,ZrTi(PbO3)2,-8.140023223,-2.7851613176,0.0187975744,0.0187975744,GGA,P4mm,A6B2CD_tP10_99_abd_c_a_b:O-Pb-Ti-Zr,10.0,A6B2CD_tP10_99_abd_c_a_b:O-Pb-Ti-Zr +mp-1079416,ZrTi(PbO3)2,-8.123131774,-2.7682698686,0.0356890234,0.0356890234,GGA,P4mm,A6B2CD_tP10_99_2a2c_2b_a_a:O-Pb-Ti-Zr,10.0,A6B2CD_tP10_99_2a2c_2b_a_a:O-Pb-Ti-Zr +mp-1215297,ZrTi(PbO3)2,-8.125771714,-2.7709098086,0.0330490834,0.0330490834,GGA,R3m,A6B2CD_hR30_160_2b_2a_a_a:O-Pb-Ti-Zr,10.0,"Invalid WP multiplicities - A6B2CD_hR30_160_6b_2a_a_a:O-Pb-Ti-Zr, expected ZrTi(PbO9)2 to be ZrTi(PbO3)2" +mp-1233752,CaTl6Si2O7,-5.6585773594,-1.804895122,0.2526615411,0.2526615411,GGA,P1,AB7C2D6_aP16_1_a_7a_2a_6a:Ca-O-Si-Tl,16.0,AB7C2D6_aP16_1_a_7a_2a_6a:Ca-O-Si-Tl +mp-703276,Ca5Al11TlSi13O48,-7.8277598135,-3.1923473877,0.1775880404,0.1775880404,GGA,P1,A11B5C48D13E_aP78_1_11a_5a_48a_13a_a:Al-Ca-O-Si-Tl,78.0,A11B5C48D13E_aP78_1_11a_5a_48a_13a_a:Al-Ca-O-Si-Tl +mp-1254519,Ca5Al11TlSi13O48,-7.8520633164,-3.2166508907,0.1532845375,0.1532845375,GGA,P1,A11B5C48D13E_aP78_1_11a_5a_48a_13a_a:Al-Ca-O-Si-Tl,78.0,A11B5C48D13E_aP78_1_11a_5a_48a_13a_a:Al-Ca-O-Si-Tl +mp-1203830,Ca2Al4Si4O17,-7.7810424543,-3.1592467768,0.1539421072,0.1539421072,GGA,C2/c,A4B2C17D4_mC108_15_2f_f_e8f_2f:Al-Ca-O-Si,54.0,A4B2C17D4_mC108_15_2f_f_e8f_2f:Al-Ca-O-Si +mp-1194616,Ca2Al4(Si2O7)3,-7.8853836852,-3.1755087095,0.1294698482,0.1294698482,GGA,Pc,A4B2C21D6_mP66_7_4a_2a_21a_6a:Al-Ca-O-Si,66.0,A4B2C21D6_mP66_7_4a_2a_21a_6a:Al-Ca-O-Si +mp-1214005,CaAl2(SiO3)4,-7.9377545105,-3.1715288161,0.2054101803,0.2054101803,GGA,C2/c,A2BC12D4_mC76_15_f_e_6f_2f:Al-Ca-O-Si,38.0,A2BC12D4_mC76_15_f_e_6f_2f:Al-Ca-O-Si +mp-7704,Ca(AlSi)2,-4.3406109520000005,-0.271133432,0.0,-0.0519007877,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ca-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Ca-Si +mp-1233677,CaAl2(Si3O8)2,-8.164479304,-3.31665214,0.0341491986,0.0341491986,GGA,P1,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Ca-O-Si,25.0,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Ca-O-Si +mp-560993,CaAl12Si4O27,-7.9604439661,-3.364662667,0.0438229542,0.0438229542,GGA,P-3,A12BC27D4_hP44_147_2g_a_bd4g_2d:Al-Ca-O-Si,44.0,"Invalid WP multiplicities - A12BC27D4_hP44_147_9g_a_bd16g_2d:Al-Ca-O-Si, expected CaAl54Si4O99 to be CaAl12Si4O27" +mp-1227806,Ca3Al4SiO12,-7.4211181525,-3.1318838762,0.1842092033,0.1842092033,GGA,P1,A4B3C12D_aP20_1_4a_3a_12a_a:Al-Ca-O-Si,20.0,A4B3C12D_aP20_1_4a_3a_12a_a:Al-Ca-O-Si +mp-1196952,CaAl2Si3O13,-7.2644298616,-2.5233951839,0.3467177741,0.3467177741,GGA,Cc,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si,38.0,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si +mp-1202125,CaAl2Si3O13,-7.1608905124,-2.4198558347,0.4502571233,0.4502571233,GGA,Cc,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si,38.0,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si +mp-1202493,CaAl2Si3O13,-7.2859286255,-2.5448939478,0.3252190102,0.3252190102,GGA,Cc,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si,38.0,A2BC13D3_mC76_9_2a_a_13a_3a:Al-Ca-O-Si +mp-1228177,AlTlSi3O8,-7.8495695523,-3.0835939556,0.0,-0.012238408,GGA,P-1,AB8C3D_aP26_2_i_8i_3i_i:Al-O-Si-Tl,26.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_14i_5i_i:Al-O-Si-Tl, expected AlTlSi5O14 to be AlTlSi3O8" +mp-1229169,CaAl2(Si8O19)2,-8.0482164933,-3.0609180539,0.1318082212,0.1318082212,GGA,Cmcm,A2BC38D16_oC228_63_g_c_2ce3f2g6h_2g3h:Al-Ca-O-Si,114.0,"Invalid WP multiplicities - A2BC38D16_oC228_63_g_c_4c4e9f4g32h_5g20h:Al-Ca-O-Si, expected CaAl2(Si45O83)2 to be CaAl2(Si8O19)2" +mp-1226977,CaAl4(SiO6)2,-7.6670314655,-3.0776207395,0.2070117356,0.2070117356,GGA,C2/c,A4BC12D2_mC76_15_2f_e_6f_f:Al-Ca-O-Si,38.0,A4BC12D2_mC76_15_2f_e_6f_f:Al-Ca-O-Si +mp-9577,Ca3(AlSi)2,-3.8881233071,-0.4083251129,0.02168512,0.02168512,GGA,Immm,A2B3C2_oI14_71_e_af_f:Al-Ca-Si,7.0,A2B3C2_oI14_71_e_af_f:Al-Ca-Si +mp-1214212,Ca2Al3Si3O13,-7.8525910614,-3.2892179859,0.0827829691,0.0827829691,GGA,P2_1/m,A3B2C13D3_mP42_11_ade_2e_7e3f_3e:Al-Ca-O-Si,42.0,A3B2C13D3_mP42_11_abe_2e_7e3f_3e:Al-Ca-O-Si +mp-732195,Ca2Al3Si3O13,-7.8621078193,-3.2987347438,0.0732662113,0.0732662113,GGA,Pnma,A3B2C13D3_oP84_62_cd_2c_7c3d_3c:Al-Ca-O-Si,84.0,A3B2C13D3_oP84_62_cd_2c_7c3d_3c:Al-Ca-O-Si +mp-1227478,Ca2Al2SiO8,-7.4400430673,-3.0937985181,0.1386227242,0.1386227242,GGA,I-42m,A2B2C8D_tI52_121_f_i_2ij_d:Al-Ca-O-Si,26.0,"Invalid WP multiplicities - A2B2C8D_tI52_121_f_i_5i4j_d:Al-Ca-O-Si, expected Ca2Al2SiO26 to be Ca2Al2SiO8" +mp-1201693,CaAl2(Si2O7)2,-7.6091516479,-2.8257389994,0.2378915944,0.2378915944,GGA,C2,A2BC14D4_mC84_5_2c_c_14c_4c:Al-Ca-O-Si,42.0,A2BC14D4_mC84_5_2c_c_14c_4c:Al-Ca-O-Si +mp-1197555,CaAl2(Si2O7)2,-7.6097317279,-2.8263190794,0.2373115144,0.2373115144,GGA,Cm,A2BC14D4_mC84_8_2b_2a_4a12b_4b:Al-Ca-O-Si,42.0,A2BC14D4_mC84_8_2b_2a_4a12b_4b:Al-Ca-O-Si +mp-1227927,CaAl2(Si2O7)2,-7.6153907439,-2.8319780955,0.2316524983,0.2316524983,GGA,C2/c,A2BC14D4_mC168_15_2f_f_14f_4f:Al-Ca-O-Si,84.0,A2BC14D4_mC168_15_2f_f_14f_4f:Al-Ca-O-Si +mp-1019572,CaAl2SiO6,-7.8723370302,-3.4121168465,0.03369007,0.03369007,GGA,P1,A2BC6D_aP40_1_8a_4a_24a_4a:Al-Ca-O-Si,40.0,A2BC6D_aP40_1_8a_4a_24a_4a:Al-Ca-O-Si +mp-1019573,CaAl2SiO6,-7.889089964,-3.4288697803,0.0169371363,0.0169371363,GGA,P1,A2BC6D_aP40_1_8a_4a_24a_4a:Al-Ca-O-Si,40.0,A2BC6D_aP40_1_8a_4a_24a_4a:Al-Ca-O-Si +mp-1019586,CaAl2SiO6,-7.88920543,-3.4289852462,0.0168216703,0.0168216703,GGA,C2,A2BC6D_mC40_5_abc_ab_6c_c:Al-Ca-O-Si,20.0,"Invalid WP multiplicities - A2BC6D_mC40_5_abc_ab_12c_c:Al-Ca-O-Si, expected CaAl2SiO12 to be CaAl2SiO6" +mp-1019587,CaAl2SiO6,-7.8551144885,-3.3948943048,0.0509126118,0.0509126118,GGA,Cc,A2BC6D_mC40_9_2a_a_6a_a:Al-Ca-O-Si,20.0,"Invalid WP multiplicities - A2BC6D_mC40_9_2a_a_12a_a:Al-Ca-O-Si, expected CaAl2SiO12 to be CaAl2SiO6" +mp-1019584,CaAl2SiO6,-7.8892383025,-3.4290181188,0.0167887978,0.0167887978,GGA,P2/c,A2BC6D_mP40_13_efg_ef_6g_g:Al-Ca-O-Si,40.0,"Invalid WP multiplicities - A2BC6D_mP40_13_2efg_2ef_24g_g:Al-Ca-O-Si, expected Ca3Al5(SiO24)2 to be CaAl2SiO6" +mp-1019583,CaAl2SiO6,-7.856779956,-3.3965597722,0.0492471443,0.0492471443,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Al-Ca-O-Si,40.0,"Invalid WP multiplicities - A2BC6D_mP40_14_2e_e_24e_e:Al-Ca-O-Si, expected CaAl2SiO24 to be CaAl2SiO6" +mp-758658,CaAl2(SiO4)2,-8.0344084875,-3.425108696,0.0020950267,-0.0213403759,GGA,P-1,A2BC8D2_aP52_2_4i_2i_16i_4i:Al-Ca-O-Si,52.0,"Invalid WP multiplicities - A2BC8D2_aP52_2_7i_3i_31i_7i:Al-Ca-O-Si, expected Ca3Al7Si7O31 to be CaAl2(SiO4)2" +mp-6532,CaAl2(SiO4)2,-8.0357615641,-3.4264617726,0.0007419501,-0.0226934525,GGA,P-1,A2BC8D2_aP104_2_8i_4i_32i_8i:Al-Ca-O-Si,104.0,"Invalid WP multiplicities - A2BC8D2_aP104_2_10i_4i_35i_10i:Al-Ca-O-Si, expected Ca4Al10(Si2O7)5 to be CaAl2(SiO4)2" +mp-1227479,CaAl2(SiO4)2,-8.0178242181,-3.4085244265,0.0186792962,-0.0047561065,GGA,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Al-Ca-O-Si,26.0,A2BC8D2_aP26_2_2i_i_8i_2i:Al-Ca-O-Si +mp-1227323,CaAl2(SiO4)2,-8.0365035142,-3.4272037227,0.0,-0.0234354026,GGA,P-3c1,A2BC8D2_hP26_165_d_b_dg_d:Al-Ca-O-Si,26.0,A2BC8D2_hP26_165_d_b_dg_d:Al-Ca-O-Si +mp-1521882,CaAl4SiO12,-7.0320141989,-2.4890427675,0.4333972747,0.4333972747,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Al-Ca-O-Si,,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Al-Ca-O-Si, expected CaAl4SiO18 to be CaAl4SiO12" +mp-1228003,Ca3Al2(SiO6)2,-7.2905937192,-2.8843383563,0.2348965239,0.2348965239,GGA,I4_1/acd,A2B3C12D2_tI152_142_c_be_3g_e:Al-Ca-O-Si,76.0,"Invalid WP multiplicities - A2B3C12D2_tI152_142_c_2b2e_11g_e:Al-Ca-O-Si, expected Ca3AlSiO22 to be Ca3Al2(SiO6)2" +mp-1214062,CaAl2(SiO4)3,-7.4977110847,-2.7681016311,0.2614620468,0.2614620468,GGA,Cc,A2BC12D3_mC72_9_2a_a_12a_3a:Al-Ca-O-Si,36.0,A2BC12D3_mC72_9_2a_a_12a_3a:Al-Ca-O-Si +mp-1183017,AlTlSiO4,-6.8831103468,-2.4087829394,0.4939927156,0.4514272518,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Al-O-Si-Tl,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_12e_e_e:Al-O-Si-Tl, expected AlTlSiO12 to be AlTlSiO4" +mp-669421,AlTlSiO4,-6.9961415936,-2.5218141862,0.3809614688,0.338396005,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Al-O-Si-Tl,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_c_5c4d_c_c:Al-O-Si-Tl, expected AlTlSiO13 to be AlTlSiO4" +mp-1192378,AlTlSiO4,-7.3764079629,-2.9020805555,0.0006950995,-0.0418703643,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Al-O-Si-Tl,28.0,AB4CD_oP28_62_c_2cd_c_c:Al-O-Si-Tl +mp-1228209,AlTlSiO4,-7.3771030624,-2.902775655,0.0,-0.0425654638,GGA,R3c,AB4CD_hR126_161_b_4b_b_b:Al-O-Si-Tl,42.0,"Invalid WP multiplicities - AB4CD_hR126_161_b_19b_b_b:Al-O-Si-Tl, expected AlTlSiO19 to be AlTlSiO4" +mp-1213985,CaAlSiO5,-7.6583728988,-3.1696307367,0.0908655284,0.0908655284,GGA,C2/c,ABC5D_mC32_15_a_e_e2f_e:Al-Ca-O-Si,16.0,ABC5D_mC32_15_c_e_e2f_e:Al-Ca-O-Si +mp-1080186,CaAl2Si3O10,-7.7363916916,-3.0339171452,0.3634418963,0.3634418963,GGA,P1,A2BC10D3_aP32_1_4a_2a_20a_6a:Al-Ca-O-Si,32.0,A2BC10D3_aP32_1_4a_2a_20a_6a:Al-Ca-O-Si +mp-1236884,CaAl2Si3O10,-7.8498170531,-3.1473425067,0.2500165347,0.2500165347,GGA,P1,A2BC10D3_aP32_1_4a_2a_20a_6a:Al-Ca-O-Si,32.0,A2BC10D3_aP32_1_4a_2a_20a_6a:Al-Ca-O-Si +mp-1195158,CaAl2Si3O10,-8.0280798156,-3.3256052692,0.0717537722,0.0717537722,GGA,Cc,A2BC10D3_mC64_9_2a_a_10a_3a:Al-Ca-O-Si,32.0,A2BC10D3_mC64_9_2a_a_10a_3a:Al-Ca-O-Si +mp-1182478,Ca2Al4Si4O21,-7.1339057318,-2.4701883725,0.4154922684,0.4154922684,GGA,C2/c,A4B2C21D4_mC124_15_2f_f_e10f_2f:Al-Ca-O-Si,62.0,A4B2C21D4_mC124_15_2f_f_e10f_2f:Al-Ca-O-Si +mp-1093659,Ca2AlTl,-1.0618491125,1.4680055717,1.8193795857,1.8193795857,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ca-Tl,4.0,AB2C_oI8_71_a_e_b:Al-Ca-Tl +mp-1233248,CaAl4Tl4O12,-6.3574801252,-2.2718258242,0.1629581592,0.1629581592,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Ca-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Ca-O-Tl +mp-1233423,CaAl4Tl4O12,-6.1991926576,-2.1135383566,0.3212456268,0.3212456268,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Ca-O-Tl,21.0,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Ca-O-Tl +mp-1228237,Ca2Al4Si8O31,-7.1929199998,-2.3986222805,0.4607662737,0.4607662737,GGA,C2,A4B2C31D8_mC90_5_2c_c_a15c_4c:Al-Ca-O-Si,45.0,"Invalid WP multiplicities - A4B2C31D8_mC90_5_3c_c_a21c_6c:Al-Ca-O-Si, expected Ca2Al6Si12O43 to be Ca2Al4Si8O31" +mp-6008,Ca3Al2(SiO4)3,-7.9036038169,-3.4463953206,0.0009067951,0.0009067951,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Ca-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Ca-O-Si +mp-1228280,Ca2Al4Si8O33,-7.1110180889,-2.3102356466,0.4274767989,0.4274767989,GGA,P1,A4B2C33D8_aP47_1_4a_2a_33a_8a:Al-Ca-O-Si,47.0,A4B2C33D8_aP47_1_4a_2a_33a_8a:Al-Ca-O-Si +mp-1198125,Ca2Al4Si8O33,-7.0942475219,-2.2934650795,0.444247366,0.444247366,GGA,C2/m,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si,47.0,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si +mp-1200127,Ca2Al4Si8O33,-7.1555638102,-2.3547813678,0.3829310777,0.3829310777,GGA,C2/m,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si,47.0,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si +mp-1203564,Ca2Al4Si8O33,-7.1090524521,-2.3082700098,0.4294424357,0.4294424357,GGA,C2/m,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si,47.0,A4B2C33D8_mC94_12_j_i_ah3i6j_2j:Al-Ca-O-Si +mp-1227202,CaAl4(SiO3)8,-7.8118089957,-2.9709717927,0.305584819,0.305584819,GGA,P1,A4BC24D8_aP37_1_4a_a_24a_8a:Al-Ca-O-Si,37.0,A4BC24D8_aP37_1_4a_a_24a_8a:Al-Ca-O-Si +mp-3173,CaAlSi,-4.0866845167,-0.3611866033,0.0042011372,0.0026249625,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Ca-Si,3.0,ABC_hP3_187_a_d_e:Al-Ca-Si +mp-567191,CaAlSi,-4.0880856007,-0.3625876873,0.0028000532,0.0012238785,GGA,P-6m2,ABC_hP15_187_agh_f2i_cgh:Al-Ca-Si,15.0,"Invalid WP multiplicities - ABC_hP15_187_a2gh_f2i_c2gh:Al-Ca-Si, expected Ca5(AlSi)7 to be CaAlSi" +mp-570150,CaAlSi,-4.0908856539,-0.3653877406,0.0,-0.0015761747,GGA,P6_3/mmc,ABC_hP18_194_cf_ae_df:Al-Ca-Si,18.0,"Invalid WP multiplicities - ABC_hP18_194_2c3f_2a2e_d2f:Al-Ca-Si, expected Ca6Al8Si5 to be CaAlSi" +mp-1203968,CaAl2(Si2O7)3,-7.0901307363,-2.2258266478,0.5723211857,0.5723211857,GGA,P2_1,A2BC21D6_mP60_4_2a_a_21a_6a:Al-Ca-O-Si,60.0,A2BC21D6_mP60_4_2a_a_21a_6a:Al-Ca-O-Si +mp-1227551,CaAl2Si4O15,-7.2458587286,-2.455024441,0.4693502167,0.4693502167,GGA,P-1,A2BC15D4_aP44_2_2i_i_15i_4i:Al-Ca-O-Si,44.0,"Invalid WP multiplicities - A2BC15D4_aP44_2_4i_i_27i_8i:Al-Ca-O-Si, expected CaAl4Si8O27 to be CaAl2Si4O15" +mp-1227812,CaAl2Si4O15,-7.2452279289,-2.4543936412000003,0.4699810165,0.4699810165,GGA,P-1,A2BC15D4_aP44_2_2i_i_15i_4i:Al-Ca-O-Si,44.0,"Invalid WP multiplicities - A2BC15D4_aP44_2_4i_i_27i_8i:Al-Ca-O-Si, expected CaAl4Si8O27 to be CaAl2Si4O15" +mp-1227582,Ca2Al2(SiO4)3,-7.7132943292,-3.1270538005,0.1346323315,0.1346323315,GGA,P2/c,A2B2C12D3_mP38_13_af_g_6g_eg:Al-Ca-O-Si,38.0,"Invalid WP multiplicities - A2B2C12D3_mP38_13_af_g_18g_eg:Al-Ca-O-Si, expected Ca2Al2(SiO12)3 to be Ca2Al2(SiO4)3" +mp-1198493,Ca2Al2(SiO4)3,-7.7118290037,-3.125588475,0.136097657,0.136097657,GGA,Pma2,A2B2C12D3_oP38_28_ac_d_2c5d_bd:Al-Ca-O-Si,38.0,A2B2C12D3_oP38_28_ac_d_2c5d_bd:Al-Ca-O-Si +mp-1226904,CaAl4Si2O11,-7.898046757799999,-3.3284848087,0.0987496533,0.0987496533,GGA,Cc,A4BC11D2_mC72_9_4a_a_11a_2a:Al-Ca-O-Si,36.0,"Invalid WP multiplicities - A4BC11D2_mC72_9_6a_a_22a_4a:Al-Ca-O-Si, expected CaAl6(Si2O11)2 to be CaAl4Si2O11" +mp-1202111,CaAl2(Si3O10)2,-7.4465985726,-2.5851353331,0.3095003567,0.3095003567,GGA,P2_1,A2BC20D6_mP58_4_2a_a_20a_6a:Al-Ca-O-Si,58.0,A2BC20D6_mP58_4_2a_a_20a_6a:Al-Ca-O-Si +mp-1197130,CaAl2(Si3O10)2,-7.450421501,-2.5889582616,0.3056774283,0.3056774283,GGA,Pc,A2BC20D6_mP58_7_2a_a_20a_6a:Al-Ca-O-Si,58.0,A2BC20D6_mP58_7_2a_a_20a_6a:Al-Ca-O-Si +mp-1201995,CaAl2(Si3O10)2,-7.2684103626,-2.4069471231,0.4876885667,0.4876885667,GGA,Pc,A2BC20D6_mP58_7_2a_a_20a_6a:Al-Ca-O-Si,58.0,A2BC20D6_mP58_7_2a_a_20a_6a:Al-Ca-O-Si +mp-1227499,Ca2Al2SiO7,-7.7610892358,-3.4648817001,0.0002044732,0.0002044732,GGA,P2_1,A2B2C7D_mP24_4_2a_2a_7a_a:Al-Ca-O-Si,24.0,A2B2C7D_mP24_4_2a_2a_7a_a:Al-Ca-O-Si +mp-677549,Ca2Al2SiO7,-7.4517824725,-3.1555749368,0.3095112365,0.3095112365,GGA,P2_12_12_1,A2B2C7D_oP48_19_2a_2a_7a_a:Al-Ca-O-Si,48.0,"Invalid WP multiplicities - A2B2C7D_oP48_19_4a_6a_27a_a:Al-Ca-O-Si, expected Ca6Al4SiO27 to be Ca2Al2SiO7" +mp-1252396,Ca2Al2SiO7,-7.5870320375,-3.2908245018,0.1742616715,0.1742616715,GGA,P2_12_12_1,A2B2C7D_oP48_19_2a_2a_7a_a:Al-Ca-O-Si,48.0,"Invalid WP multiplicities - A2B2C7D_oP48_19_4a_6a_27a_a:Al-Ca-O-Si, expected Ca6Al4SiO27 to be Ca2Al2SiO7" +mp-559691,Ca2Al2SiO7,-7.740008175,-3.4438006393,0.021285534,0.021285534,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Al-Ca-O-Si,24.0,"Invalid WP multiplicities - A2B2C7D_tP24_113_e_e_c4e5f_a:Al-Ca-O-Si, expected Ca2Al2SiO29 to be Ca2Al2SiO7" +mp-1214160,Ca2Al(SiO3)4,-7.8343936455,-3.1597456326,0.1526832742,0.1526832742,GGA,Pmna,AB2C12D4_oP38_53_a_e_eh2i_fg:Al-Ca-O-Si,38.0,AB2C12D4_oP38_53_a_e_eh2i_fg:Al-Ca-O-Si +mp-1214293,Ca2Al3Si3O14,-7.6398587132,-3.0590621997,0.1596659847,0.1596659847,GGA,C2/m,A3B2C14D3_mC88_12_ej_2i_8i3j_3i:Al-Ca-O-Si,44.0,A3B2C14D3_mC88_12_ej_2i_8i3j_3i:Al-Ca-O-Si +mp-1182031,CaAl2(SiO5)2,-6.974204285,-2.3199193042,0.6619506915000001,0.6619506915000001,GGA,P2_1/m,A2BC10D2_mP30_11_ad_e_2e4f_f:Al-Ca-O-Si,30.0,A2BC10D2_mP30_11_ac_e_2e4f_f:Al-Ca-O-Si +mp-1194156,CaAl2(SiO5)2,-7.3226588817,-2.6683739008,0.3134960948,0.3134960948,GGA,P2_1/m,A2BC10D2_mP30_11_ad_e_2e4f_f:Al-Ca-O-Si,30.0,A2BC10D2_mP30_11_ac_e_2e4f_f:Al-Ca-O-Si +mp-1182812,CaAl2(SiO5)2,-7.230919607,-2.5766346262,0.4052353695,0.4052353695,GGA,P2_12_12_1,A2BC10D2_oP120_19_4a_2a_20a_4a:Al-Ca-O-Si,120.0,A2BC10D2_oP120_19_4a_2a_20a_4a:Al-Ca-O-Si +mp-1192758,CaAl2(SiO5)2,-7.0845186233,-2.4302336425,0.5516363531,0.5516363531,GGA,Cmcm,A2BC10D2_oC60_63_d_c_2c2fh_f:Al-Ca-O-Si,30.0,A2BC10D2_oC60_63_d_c_2c2fh_f:Al-Ca-O-Si +mp-1194309,CaAl2(SiO5)2,-7.36353615,-2.7092511692,0.2726188265,0.2726188265,GGA,Cmcm,A2BC10D2_oC60_63_d_c_2c2fh_f:Al-Ca-O-Si,30.0,A2BC10D2_oC60_63_d_c_2c2fh_f:Al-Ca-O-Si +mp-1182213,CaAl2(SiO6)2,-7.0075426875,-2.3188572678,0.3122044931,0.3122044931,GGA,P2_1,A2BC12D2_mP68_4_4a_2a_24a_4a:Al-Ca-O-Si,68.0,A2BC12D2_mP68_4_4a_2a_24a_4a:Al-Ca-O-Si +mp-1199448,CaAl2(SiO6)2,-6.9019630737,-2.213277654,0.4177841069,0.4177841069,GGA,P2_1,A2BC12D2_mP68_4_4a_2a_24a_4a:Al-Ca-O-Si,68.0,A2BC12D2_mP68_4_4a_2a_24a_4a:Al-Ca-O-Si +mp-1228769,CaAl2(SiO6)2,-6.9920343681,-2.3033489484,0.3277128125,0.3277128125,GGA,P2_1/c,A2BC12D2_mP68_14_2e_e_12e_2e:Al-Ca-O-Si,68.0,A2BC12D2_mP68_14_2e_e_12e_2e:Al-Ca-O-Si +mp-1214098,Ca2AlSi2O7,-7.6507644217,-3.2145783693,0.1663482672,0.1663482672,GGA,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Al-Ca-O-Si,24.0,AB2C7D2_tP24_113_a_e_cef_e:Al-Ca-O-Si +mp-1218855,Sr2AlGa3,-3.1350262967,-0.4335511626,0.0069241608,0.0069241608,GGA,P-6m2,AB3C2_hP6_187_a_bcd_i:Al-Ga-Sr,6.0,AB3C2_hP6_187_a_bcd_i:Al-Ga-Sr +mp-1048054,Sr2Ti2AlGaO7,-7.4801608904,-2.8208944464,0.3990143275,0.3990143275,GGA,P1,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-Ti,26.0,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-Ti +mp-1208847,Sr2Ti5Al17O38,-8.1793926294,-3.4293054176,0.0212932744,0.0212932744,GGA,C2/c,A17B38C2D5_mC248_15_e8f_19f_f_e2f:Al-O-Sr-Ti,124.0,A17B38C2D5_mC248_15_e8f_19f_f_e2f:Al-O-Sr-Ti +mp-1048055,Sr2Ti2GaO7,-7.7239014396,-2.9884941111,0.2887534752,0.2887534752,GGA,Cm,AB7C2D2_mC48_8_2a_2a6b_2b_2b:Ga-O-Sr-Ti,24.0,"Invalid WP multiplicities - AB7C2D2_mC48_8_2a_2a11b_3b_2b:Ga-O-Sr-Ti, expected Sr3Ti2GaO12 to be Sr2Ti2GaO7" +mp-772187,AlGaO3,-7.1425415768,-2.8197939795,0.0287432352,0.0287432352,GGA,Pna2_1,ABC3_oP40_33_2a_2a_6a:Al-Ga-O,40.0,"Invalid WP multiplicities - ABC3_oP40_33_5a_5a_21a:Al-Ga-O, expected Al5Ga5O21 to be AlGaO3" +mp-772898,AlGaO3,-7.143614212,-2.8208666147,0.0276706,0.0276706,GGA,Pna2_1,ABC3_oP40_33_2a_2a_6a:Al-Ga-O,40.0,"Invalid WP multiplicities - ABC3_oP40_33_5a_5a_21a:Al-Ga-O, expected Al5Ga5O21 to be AlGaO3" +mp-756686,AlGaO3,-7.063751335,-2.7410037378,0.107533477,0.107533477,GGA,Pnma,ABC3_oP20_62_a_c_cd:Al-Ga-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Al-Ga-O, expected AlGaO7 to be AlGaO3" +mp-1218603,Sr3Ti(GaO2)10,-6.7864990179,-2.6047723466,0.0197261147,0.0197261147,GGA,C2/m,A10B20C3D_mC68_12_h2j_2i4j_ai_b:Ga-O-Sr-Ti,34.0,A10B20C3D_mC68_12_h2j_2i4j_ai_b:Ga-O-Sr-Ti +mp-1207102,Sr(AlGa)2,-3.421965374,-0.3745979423,0.0,-0.048744095,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Ga-Sr,5.0,A2B2C_tI10_139_d_e_a:Al-Ga-Sr +mp-1218356,SrAlGa,-3.19055966,-0.3695045581,0.0113167283,0.0113167283,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Ga-Sr,3.0,ABC_hP3_187_a_c_f:Al-Ga-Sr +mp-961672,SrAlGa,-2.4092281333,0.4118269686,0.792648255,0.792648255,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Ga-Sr,3.0,ABC_cF12_216_a_b_c:Al-Ga-Sr +mp-1217828,SrTi3Al8O19,-8.28361618,-3.4665948362,0.0,-0.002761875,GGA,C2,A8B19CD3_mC248_5_ab15c_38c_2c_ab5c:Al-O-Sr-Ti,124.0,A8B19CD3_mC248_5_ab15c_38c_2c_ab5c:Al-O-Sr-Ti +mp-1208750,Sr3Ti3(Ga2O5)4,-7.2274704456,-2.7594263628,0.0364702504,0.0364702504,GGA,C2/m,A8B20C3D3_mC68_12_2j_2i4j_ai_bh:Ga-O-Sr-Ti,34.0,A8B20C3D3_mC68_12_2j_2i4j_ai_bh:Ga-O-Sr-Ti +mp-753469,Co2NiO6,-6.4641998417,-0.9445437819,0.0506914446,0.0506914446,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Co-Ni-O,18.0,A2BC6_mC18_12_i_a_3i:Co-Ni-O +mp-752759,Co2NiO6,-6.4645717811,-0.9449157214,0.0503195051,0.0503195051,GGA+U,Cmce,A2BC6_oC36_64_d_a_fg:Co-Ni-O,18.0,A2BC6_oC36_64_d_a_fg:Co-Ni-O +mp-754464,Li3Co4NiO8,-6.5294328069,-1.5598274225000002,0.0675678395,0.0675678395,GGA+U,C2/m,A4B3CD8_mC32_12_ade_cf_b_2ij:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ace_b2f_d_3i2j:Co-Li-Ni-O, expected Li5Co4NiO14 to be Li3Co4NiO8" +mp-772319,Li4Co3Ni5O16,-6.1981690221,-1.3050137496,0.0300405794,0.0300405794,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Co-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Co-Li-Ni-O, expected Li4Co3(NiO4)5 to be Li4Co3Ni5O16" +mp-762164,Li4Nb2Co3Ni3O16,-7.0854798732,-1.8836697178,0.0484335635,0.0484335635,GGA+U,P1,A3B4C2D3E16_aP28_1_3a_4a_2a_3a_16a:Co-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Co-Li-Nb-Ni-O, expected Li4Nb2Co3Ni3O20 to be Li4Nb2Co3Ni3O16" +mp-757382,Li3NbNi3O8,-6.7184607987,-1.868994574,0.0700277548,0.0700277548,GGA+U,C2/m,A3BC3D8_mC30_12_cf_b_ae_2ij:Li-Nb-Ni-O,30.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_ce_a_2b2f_2ij:Li-Nb-Ni-O, expected Li3Nb(Ni3O4)2 to be Li3NbNi3O8" +mp-1222861,Li5Co4NiO10,-6.270033959,-1.6087884937,0.099186727,0.099186727,GGA+U,C2/m,A4B5CD10_mC40_12_2i_a2i_d_5i:Co-Li-Ni-O,20.0,"Invalid WP multiplicities - A4B5CD10_mC40_12_3i_a3i_c_10i:Co-Li-Ni-O, expected Li7Co6NiO20 to be Li5Co4NiO10" +mp-1648324,Li4Co5NiO12,-6.4154094195,-1.4918784352,0.0685728453,0.0685728453,GGA+U,P1,A5B4CD12_aP44_1_10a_8a_2a_24a:Co-Li-Ni-O,44.0,A5B4CD12_aP44_1_10a_8a_2a_24a:Co-Li-Ni-O +mp-755767,Li4Co5NiO12,-6.4050844986,-1.4815535142,0.0788977662,0.0788977662,GGA+U,C2/m,A5B4CD12_mC88_12_adghj_2j_i_4i4j:Co-Li-Ni-O,44.0,"Invalid WP multiplicities - A5B4CD12_mC88_12_ac2ghj_7j_i_6i12j:Co-Li-Ni-O, expected Li14Co6NiO30 to be Li4Co5NiO12" +mp-1641824,Li4Co5NiO12,-6.4002835659,-1.4767525815,0.083698699,0.083698699,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Co-Li-Ni-O,44.0,"Invalid WP multiplicities - A5B4CD12_aP22_2_b2i_3i_e_8i:Co-Li-Ni-O, expected Li6Co5NiO16 to be Li4Co5NiO12" +mp-760934,Li6Co3Ni5O16,-6.1052389187,-1.4110324732,0.0688913398,0.0688913398,GGA+U,Cm,A3B6C5D16_mC60_8_ab_2a2b_3ab_8a4b:Co-Li-Ni-O,30.0,"Invalid WP multiplicities - A3B6C5D16_mC60_8_ab_2a2b_3ab_8a7b:Co-Li-Ni-O, expected Li6Co3Ni5O22 to be Li6Co3Ni5O16" +mp-773511,Co5NiO12,-6.600237525,-1.0067936256,0.0316475698,0.0316475698,GGA+U,C2/m,A5BC12_mC36_12_agh_d_2i2j:Co-Ni-O,18.0,"Invalid WP multiplicities - A5BC12_mC36_12_a2gh_c_4i5j:Co-Ni-O, expected Co7NiO28 to be Co5NiO12" +mp-766793,Li5Co5(NiO6)2,-6.240468955,-1.4068547382,0.2567410437,0.2567410437,GGA+U,P1,A5B5C2D12_aP24_1_5a_5a_2a_12a:Co-Li-Ni-O,24.0,A5B5C2D12_aP24_1_5a_5a_2a_12a:Co-Li-Ni-O +mp-765645,Li5Co5(NiO6)2,-6.3902591304,-1.5566449136,0.1069508683,0.1069508683,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_12c:Co-Li-Ni-O, expected Li9Co5(NiO12)2 to be Li5Co5(NiO6)2" +mp-1178037,Li2CoNi3O8,-6.1387972159,-1.2930769832,0.0026659551,0.0026659551,GGA+U,P1,AB2C3D8_aP56_1_4a_8a_12a_32a:Co-Li-Ni-O,56.0,AB2C3D8_aP56_1_4a_8a_12a_32a:Co-Li-Ni-O +mp-1178027,Li2CoNi3O8,-6.1077676571,-1.2620474244,0.0336955138,0.0336955138,GGA+U,P-1,AB2C3D8_aP14_2_a_bg_cde_4i:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_aP14_2_d_bg_ace_7i:Co-Li-Ni-O, expected Li2CoNi3O14 to be Li2CoNi3O8" +mp-1412166,Li2CoNi3O8,-2.58659304,2.2591271927,3.554870131,3.554870131,GGA+U,P-1,AB2C3D8_aP14_2_d_bg_ace_4i:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_aP14_2_a_bg_cde_7i:Co-Li-Ni-O, expected Li2CoNi3O14 to be Li2CoNi3O8" +mp-775285,Li2CoNi3O8,-6.132113383,-1.2863931503,0.0093497879,0.0093497879,GGA+U,P2_12_12_1,AB2C3D8_oP56_19_a_2a_3a_8a:Co-Li-Ni-O,56.0,"Invalid WP multiplicities - AB2C3D8_mP56_4_2a_6a_10a_30a:Co-Li-Ni-O, expected Li3Co(NiO3)5 to be Li2CoNi3O8" +mp-1178042,Li2CoNi3O8,-5.9232142045,-1.0774939717,0.2182489665,0.2182489665,GGA+U,P4_32_12,AB2C3D8_tP56_96_a_b_ab_4b:Co-Li-Ni-O,56.0,"Invalid WP multiplicities - AB2C3D8_tP56_96_a_b_4a5b_25b:Co-Li-Ni-O, expected Li2Co(Ni7O25)2 to be Li2CoNi3O8" +mp-887677,Li2CoNi3O8,-6.0923503202,-1.2466300874,0.0491128508,0.0491128508,GGA+U,P4_132,AB2C3D8_cP56_213_a_c_d_ce:Co-Li-Ni-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_213_a_c_d_8c9e:Co-Li-Ni-O, expected Li2CoNi3O70 to be Li2CoNi3O8" +mp-1275132,Co2NiO4,-6.8618899593,-1.1785289429,0.05503512,0.05503512,GGA+U,P-1,A2BC4_aP14_2_abcd_i_4i:Co-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_abcd_i_8i:Co-Ni-O, expected Co2NiO8 to be Co2NiO4" +mp-1304693,Co2NiO4,-6.856987715,-1.1736266986,0.0599373643,0.0599373643,GGA+U,C2/c,A2BC4_mC28_15_ac_e_2f:Co-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_15_ac_e_4f:Co-Ni-O, expected Co2NiO8 to be Co2NiO4" +mp-38683,Co2NiO4,-6.880768155,-1.1974071386,0.0361569243,0.0361569243,GGA+U,Imma,A2BC4_oI28_74_ae_c_hi:Co-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_a2e_c_4h3i:Co-Ni-O, expected Co3NiO14 to be Co2NiO4" +mp-1153924,Co2NiO4,-6.599183495,-0.9158224786,0.3177415843,0.3177415843,GGA+U,R-3m,A2BC4_hR42_166_ad_c_ch:Co-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_hR42_166_ad_c_2c2h:Co-Ni-O, expected Co2NiO8 to be Co2NiO4" +mp-1096547,Co2NiO4,-6.7310311764,-1.04767016,0.1858939029,0.1858939029,GGA+U,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Ni-O,14.0,"Invalid WP multiplicities - A2BC4_hR42_166_ad_c_2c2h:Co-Ni-O, expected Co2NiO8 to be Co2NiO4" +mp-757774,Li2Co(NiO3)2,-6.0924303909,-1.3500150131,0.0713057943,0.0713057943,GGA+U,Aea2,AB2C2D6_oC44_41_a_b_2a_3b:Co-Li-Ni-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_41_a_b_2a_5b:Co-Li-Ni-O, expected Li2Co(NiO5)2 to be Li2Co(NiO3)2" +mp-753214,Li4NbCo5O12,-6.9103672964000005,-1.7904195683,0.1133898078,0.1133898078,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Co-Li-Nb-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2gh_j_c_4i5j:Co-Li-Nb-O, expected Li4Nb(CoO4)7 to be Li4NbCo5O12" +mp-1222736,Li5Co(Ni2O5)2,-5.9517281025,-1.4897098045,0.0658994945,0.0658994945,GGA+U,C2/m,AB5C4D10_mC40_12_a_d2i_2i_5i:Co-Li-Ni-O,20.0,"Invalid WP multiplicities - AB5C4D10_mC40_12_a_c3i_3i_10i:Co-Li-Ni-O, expected Li7Co(Ni3O10)2 to be Li5Co(Ni2O5)2" +mp-753483,Co3NiO8,-6.4915525638,-0.9350025842,0.0818356268,0.0818356268,GGA+U,R-3m,A3BC8_hR36_166_d_a_ch:Co-Ni-O,24.0,A3BC8_hR36_166_d_a_ch:Co-Ni-O +mp-752738,Co3NiO8,-6.5344403712,-0.9778903917,0.0389478193,0.0389478193,GGA+U,R-3m,A3BC8_hR36_166_d_b_ch:Co-Ni-O,24.0,A3BC8_hR36_166_d_b_ch:Co-Ni-O +mp-773140,Co3NiO8,-6.4909301296,-0.93438015,0.0824580609,0.0824580609,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Co-Ni-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Ni-O, expected Co3NiO30 to be Co3NiO8" +mp-1303410,Li4Co3NiO8,-6.2768775831,-1.6322343818,0.0645919819,0.0645919819,GGA+U,P1,A3B4CD8_aP32_1_6a_8a_2a_16a:Co-Li-Ni-O,32.0,A3B4CD8_aP32_1_6a_8a_2a_16a:Co-Li-Ni-O +mp-1287572,Li4Co3NiO8,-6.2620512944,-1.617408093,0.0794182706,0.0794182706,GGA+U,P-1,A3B4CD8_aP32_2_abcefh_4i_dg_8i:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_abcdgh_4i_ef_14i:Co-Li-Ni-O, expected Li4Co3NiO14 to be Li4Co3NiO8" +mp-1293179,Li4Co3NiO8,-6.2770073328,-1.6323641315,0.0644622322,0.0644622322,GGA+U,P-1,A3B4CD8_aP32_2_abcefh_4i_dg_8i:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_abcefh_4i_dg_14i:Co-Li-Ni-O, expected Li4Co3NiO14 to be Li4Co3NiO8" +mp-1307939,Li4Co3NiO8,-6.2816646903,-1.637021489,0.0598048747,0.0598048747,GGA+U,P-1,A3B4CD8_aP32_2_adghi_bcef2i_i_8i:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_bc2fi_aceh2i_i_16i:Co-Li-Ni-O, expected Li4Co3NiO16 to be Li4Co3NiO8" +mp-1284600,Li4Co3NiO8,-6.2686050084,-1.6239618071000002,0.0728645566,0.0728645566,GGA+U,C2,A3B4CD8_mC64_5_ab2c_4c_ab_8c:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_mC64_5_ab4c_6c_ab_12c:Co-Li-Ni-O, expected Li6Co5NiO12 to be Li4Co3NiO8" +mp-1275876,Li4Co3NiO8,-6.2687157134,-1.6240725121,0.0727538516,0.0727538516,GGA+U,C2/m,A3B4CD8_mC64_12_adj_ef2i_bc_4i2j:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_mC64_12_ac2j_2e2f2i_bd_6i6j:Co-Li-Ni-O, expected Li6Co5NiO18 to be Li4Co3NiO8" +mp-867537,Li4Co3NiO8,-6.3312296819,-1.6865864805,0.0102398831,0.0102398831,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_a2e_b_2c3h:Co-Li-Ni-O, expected Li7Co3NiO22 to be Li4Co3NiO8" +mp-1315383,Li4Co3NiO8,-6.2761493728,-1.6315061715,0.0653201922,0.0653201922,GGA+U,R-3m,A3B4CD8_hR96_166_de_ch_ab_2c2h:Co-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_hR96_166_de_ch_ab_3c9h:Co-Li-Ni-O, expected Li4Co3NiO30 to be Li4Co3NiO8" +mp-1290435,Li2Co3NiO8,-6.4044379671,-1.3689775751,0.0753935542,0.0753935542,GGA+U,P-1,A3B2CD8_aP28_2_abcefh_2i_dg_8i:Co-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B2CD8_aP28_2_abcefh_2i_dg_13i:Co-Li-Ni-O, expected Li2Co3NiO13 to be Li2Co3NiO8" +mp-778768,Li2Co3NiO8,-6.4567360893,-1.4212756973,0.0230954321,0.0230954321,GGA+U,C2/m,A3B2CD8_mC28_12_ae_cd_b_2ij:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_ce_ab_d_4ij:Co-Li-Ni-O, expected Li2Co3NiO12 to be Li2Co3NiO8" +mp-755696,Li2Co3NiO8,-6.3710319293,-1.3355715373,0.1087995921,0.1087995921,GGA+U,C2/m,A3B2CD8_mC28_12_ae_f_b_2ij:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_aP14_2_ace_bf_d_5i:Co-Li-Ni-O, expected Li2Co3NiO10 to be Li2Co3NiO8" +mp-752876,Li2Co3NiO8,-6.4065389229,-1.3710785308,0.0732925985,0.0732925985,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Co-Li-Ni-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Co-Li-Ni-O +mp-753237,Li2Co3NiO8,-6.2539913293,-1.2185309373,0.2258401921,0.2258401921,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Co-Li-Ni-O, expected Li2Co3NiO22 to be Li2Co3NiO8" +mp-756196,Li2Co3NiO8,-6.4754548332,-1.4399944412,0.0043766881,0.0043766881,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Co-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Co-Li-Ni-O, expected Li3Co3NiO30 to be Li2Co3NiO8" +mp-757851,Li2Co3NiO8,-6.4020949384,-1.3666345464,0.0777365829,0.0777365829,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Co-Li-Ni-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Co-Li-Ni-O, expected Li2Co3NiO70 to be Li2Co3NiO8" +mp-777820,Li3Co3NiO8,-6.34165829,-1.514633733,0.0673190936,0.0673190936,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Co-Li-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_b2f_c2e_a_3i4j:Co-Li-Ni-O, expected Li5Co5NiO22 to be Li3Co3NiO8" +mp-753764,Li3Co3NiO8,-6.3540407967,-1.5270162397,0.0549365869,0.0549365869,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Co-Li-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_c2h:Co-Li-Ni-O, expected Li3Co3NiO14 to be Li3Co3NiO8" +mp-759916,Li3Co3NiO8,-6.2991953757,-1.4721708187,0.1097820079,0.1097820079,GGA+U,P6_3mc,A3B3CD8_hP30_186_c_c_b_ab2c:Co-Li-Ni-O,30.0,"Invalid WP multiplicities - A3B3CD8_hP30_186_c_c_b_2a2b10c:Co-Li-Ni-O, expected Li3Co3NiO34 to be Li3Co3NiO8" +mp-761167,Li8Co3NiO8,-5.778798083,-1.6812989486,0.0875605916,0.0875605916,GGA+U,P1,A3B8CD8_aP20_1_3a_8a_a_8a:Co-Li-Ni-O,20.0,A3B8CD8_aP20_1_3a_8a_a_8a:Co-Li-Ni-O +mp-754509,LiCoNiO4,-6.3149560321,-1.3743657198,0.0,-0.007522218,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h3i:Co-Li-Ni-O, expected LiCoNiO10 to be LiCoNiO4" +mp-753047,LiCoNiO4,-6.2522799057,-1.3116895933,0.0626761264,0.0551539084,GGA+U,Imma,ABCD4_oI28_74_c_a_b_hi:Co-Li-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_c_a_b_3h4i:Co-Li-Ni-O, expected LiCoNiO14 to be LiCoNiO4" +mp-1320203,Li5Co2Ni3O10,-6.1225736217,-1.594146268,0.0184448839,0.0184448839,GGA+U,P1,A2B5C3D10_aP20_1_2a_5a_3a_10a:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - A2B5C3D10_aP20_1_2a_5a_6a_10a:Co-Li-Ni-O, expected Li5Co2(Ni3O5)2 to be Li5Co2Ni3O10" +mp-1367287,Li5Co2Ni3O10,-4.3855548915,0.1428724623,1.7554636142,1.7554636142,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ei_5i:Co-Li-Ni-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ei_9i:Co-Li-Ni-O, expected Li9Co2(NiO6)3 to be Li5Co2Ni3O10" +mp-769553,Li5Co2Ni3O10,-6.1128991273,-1.5844717735,0.0281193784,0.0281193784,GGA+U,P2/m,A2B5C3D10_mP40_10_bcm_eg2m2n_m2n_5m5n:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - A2B5C3D10_mP40_10_bc2m_dh3m4n_2m3n_10m10n:Co-Li-Ni-O, expected Li8Co3(NiO4)5 to be Li5Co2Ni3O10" +mp-772703,Li4CoNi5O12,-5.9947199623,-1.3126764533,0.0586116749,0.0586116749,GGA+U,C2,AB4C5D12_mC44_5_a_2c_2a3b_6c:Co-Li-Ni-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_5_a_2c_2a3b_11c:Co-Li-Ni-O, expected Li4CoNi5O22 to be Li4CoNi5O12" +mp-756070,Li4CoNi5O12,-5.9820843568,-1.3000408479,0.0712472803,0.0712472803,GGA+U,C2/m,AB4C5D12_mC44_12_a_j_dgh_2i2j:Co-Li-Ni-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_12_a_j_cg2h_4i5j:Co-Li-Ni-O, expected Li4Co(NiO4)7 to be Li4CoNi5O12" +mp-863417,Co(NiO2)2,-6.5687505579,-1.0751297007,0.0901764936,0.089101505,GGA+U,P2_1/c,AB2C4_mP28_14_e_2e_4e:Co-Ni-O,28.0,"Invalid WP multiplicities - AB2C4_mP28_14_e_7e_13e:Co-Ni-O, expected CoNi7O13 to be Co(NiO2)2" +mp-754168,Co(NiO2)2,-6.6589270514,-1.1653061943,0.0,-0.0010749886,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Ni-O,14.0,AB2C4_cF56_227_a_d_e:Co-Ni-O +mp-779900,Li4Co2Ni3O10,-6.1246518768,-1.4583558658,0.055496003,0.055496003,GGA+U,P-1,A2B4C3D10_aP19_2_i_2i_ai_5i:Co-Li-Ni-O,19.0,"Invalid WP multiplicities - A2B4C3D10_aP19_2_i_3i_ai_9i:Co-Li-Ni-O, expected Li6Co2(NiO6)3 to be Li4Co2Ni3O10" +mp-778996,Li4Co2Ni3O10,-6.0413985968,-1.3751025858,0.138749283,0.138749283,GGA+U,P2/m,A2B4C3D10_mP38_10_bcm_egm2n_m2n_5m5n:Co-Li-Ni-O,38.0,"Invalid WP multiplicities - A2B4C3D10_mP38_10_bc2m_dh2m4n_2m3n_9m9n:Co-Li-Ni-O, expected Li7Co3Ni5O18 to be Li4Co2Ni3O10" +mp-867666,Li6CoNi5O12,-5.9576410725,-1.5066909504,0.0394213731,0.0394213731,GGA+U,P-1,AB6C5D12_aP24_2_b_3i_d2i_6i:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - AB6C5D12_aP24_2_b_5i_d4i_10i:Co-Li-Ni-O, expected Li10CoNi9O20 to be Li6CoNi5O12" +mp-752702,LiNbNiO4,-7.7213233982,-2.3531634794,0.0666719539,0.0666719539,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Li-Nb-Ni-O,28.0,ABCD4_oI28_74_e_a_c_hi:Li-Nb-Ni-O +mp-777650,LiNbNiO4,-7.7695363625,-2.4013764437000003,0.0184589896,0.0184589896,GGA+U,P4_322,ABCD4_tP28_95_a_c_b_2d:Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_c_b_3d:Li-Nb-Ni-O, expected LiNbNiO6 to be LiNbNiO4" +mp-1272871,Li2CoNiO4,-6.1447458888,-1.5831140071,0.0579680712,0.0579680712,GGA+U,P-1,AB2CD4_aP8_2_b_cd_h_2i:Co-Li-Ni-O,8.0,AB2CD4_aP8_2_b_cd_h_2i:Co-Li-Ni-O +mp-753276,Li2CoNiO4,-6.1376333369000005,-1.5760014552,0.0650806231,0.0650806231,GGA+U,P2/m,AB2CD4_mP8_10_b_ch_d_mn:Co-Li-Ni-O,16.0,AB2CD4_mP8_10_b_ce_g_mn:Co-Li-Ni-O +mp-1222816,Li2CoNiO4,-6.1252180088,-1.5635861271,0.0774959512,0.0774959512,GGA+U,C2/m,AB2CD4_mC16_12_a_i_d_2i:Co-Li-Ni-O,8.0,"Invalid WP multiplicities - AB2CD4_mC16_12_a_i_c_3i:Co-Li-Ni-O, expected Li2CoNiO6 to be Li2CoNiO4" +mp-1276757,Li2CoNiO4,-6.1490170788,-1.5873851971,0.0536968812,0.0536968812,GGA+U,C2/m,AB2CD4_mC32_12_ab_hi_e_2ij:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_12_ab_hi_f_4ij:Co-Li-Ni-O, expected Li2CoNiO6 to be Li2CoNiO4" +mp-1279456,Li2CoNiO4,-6.1206792931,-1.5590474115,0.0820346669,0.0820346669,GGA+U,C222,AB2CD4_oC32_21_ac_bdk_k_efl:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oC32_21_ac_bdk_k_2e2fl:Co-Li-Ni-O, expected Li2CoNiO6 to be Li2CoNiO4" +mp-1272479,Li2CoNiO4,-6.1168562031,-1.5552243215,0.0858577569,0.0858577569,GGA+U,Imm2,AB2CD4_oI16_44_a_ab_b_2a2b:Co-Li-Ni-O,16.0,AB2CD4_oI16_44_a_ab_b_2a2b:Co-Li-Ni-O +mp-753536,Li2CoNiO4,-6.1856945744,-1.6240626927,0.0170193856,0.0170193856,GGA+U,Imma,AB2CD4_oI32_74_a_bc_d_hi:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oI32_74_a_2bc_d_2h3i:Co-Li-Ni-O, expected Li3CoNiO10 to be Li2CoNiO4" +mp-761608,Li2CoNiO4,-6.1145662269,-1.5529343452000002,0.0881477331,0.0881477331,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Co-Li-Ni-O,16.0,AB2CD4_tI16_119_a_bc_d_ef:Co-Li-Ni-O +mp-771953,Li2NbNi3O8,-6.8359914075,-1.7764863715,0.0435619981,0.0435619981,GGA+U,P6_3mc,A2BC3D8_hP28_186_ab_b_c_ab2c:Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A2BC3D8_hP28_186_a2b_b_c_a2b9c:Li-Nb-Ni-O, expected Li3Nb(NiO10)3 to be Li2NbNi3O8" +mp-777850,Li4Co3(NiO4)3,-6.2516427195,-1.4488554729,0.0224980136,0.0224980136,GGA+U,P-1,A3B4C3D12_aP22_2_ai_cei_di_6i:Co-Li-Ni-O,22.0,"Invalid WP multiplicities - A3B4C3D12_aP22_2_a2i_cei_di_12i:Co-Li-Ni-O, expected Li4Co5(NiO8)3 to be Li4Co3(NiO4)3" +mp-754376,Li2Co2NiO6,-6.2922635673,-1.4291044517,0.0867979318,0.0867979318,GGA+U,P-1,A2B2CD6_aP22_2_2i_adi_ce_6i:Co-Li-Ni-O,22.0,"Invalid WP multiplicities - A2B2CD6_aP22_2_4i_adi_ce_11i:Co-Li-Ni-O, expected Li2Co4NiO11 to be Li2Co2NiO6" +mp-1272234,CoNiO3,-6.66452157,-1.1188174482,0.023617661,0.021391037,GGA+U,P1,ABC3_aP10_1_2a_2a_6a:Co-Ni-O,10.0,ABC3_aP10_1_2a_2a_6a:Co-Ni-O +mp-1279343,CoNiO3,-6.68777252,-1.1420683983,0.000366711,-0.001859913,GGA+U,P-1,ABC3_aP10_2_i_i_3i:Co-Ni-O,10.0,"Invalid WP multiplicities - ABC3_aP10_2_i_i_5i:Co-Ni-O, expected CoNiO5 to be CoNiO3" +mp-1178424,CoNiO3,-6.688139231,-1.1424351092,0.0,-0.002226624,GGA+U,R-3,ABC3_hR30_148_c_c_f:Co-Ni-O,10.0,ABC3_hR30_148_c_c_f:Co-Ni-O +mp-1238777,CoNiO2,-6.6970959,-1.0016379256,0.2502311756,0.2502311756,GGA+U,P4/mmm,ABC2_tP4_123_a_d_bc:Co-Ni-O,4.0,ABC2_tP4_123_a_d_bc:Co-Ni-O +mp-1273342,Li3Co2NiO6,-6.2107221775,-1.593749416,0.0844955192,0.0844955192,GGA+U,P1,A2B3CD6_aP12_1_2a_3a_a_6a:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP12_1_3a_3a_a_6a:Co-Li-Ni-O, expected Li3Co3NiO6 to be Li3Co2NiO6" +mp-1286317,Li3Co2NiO6,-6.2237490667,-1.6067763052,0.07146863,0.07146863,GGA+U,P1,A2B3CD6_aP24_1_4a_6a_2a_12a:Co-Li-Ni-O,24.0,A2B3CD6_aP24_1_4a_6a_2a_12a:Co-Li-Ni-O +mp-1274234,Li3Co2NiO6,-6.238064445,-1.6210916835,0.0571532517,0.0571532517,GGA+U,P1,A2B3CD6_aP24_1_4a_6a_2a_12a:Co-Li-Ni-O,24.0,A2B3CD6_aP24_1_4a_6a_2a_12a:Co-Li-Ni-O +mp-1274281,Li3Co2NiO6,-6.20532056,-1.5883477985,0.0898971367,0.0898971367,GGA+U,P-1,A2B3CD6_aP12_2_i_ai_c_3i:Co-Li-Ni-O,12.0,"Invalid WP multiplicities - A2B3CD6_aP12_2_i_a2i_c_6i:Co-Li-Ni-O, expected Li5Co2NiO12 to be Li3Co2NiO6" +mp-1276403,Li3Co2NiO6,-6.2536121471,-1.6366393856,0.0416055496,0.0416055496,GGA+U,Cm,A2B3CD6_mC48_8_4a_6a_2a_12a:Co-Li-Ni-O,24.0,A2B3CD6_mC48_8_4a_6a_2a_12a:Co-Li-Ni-O +mp-1301359,Li3Co2NiO6,-6.27568747,-1.6587147085,0.0195302267,0.0195302267,GGA+U,P2_1/m,A2B3CD6_mP24_11_2e_3e_e_6e:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B3CD6_mP24_11_4e_5e_e_11e:Co-Li-Ni-O, expected Li5Co4NiO11 to be Li3Co2NiO6" +mp-765538,Li3Co2NiO6,-6.280746545,-1.6637737835,0.0144711517,0.0144711517,GGA+U,C2/m,A2B3CD6_mC48_12_2i_ac2i_i_6i:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B3CD6_mC48_12_3i_ad3i_i_10i:Co-Li-Ni-O, expected Li4Co3NiO10 to be Li3Co2NiO6" +mp-1222507,Li3Co2NiO6,-6.2569157458,-1.6399429844,0.0383019508,0.0383019508,GGA+U,P-3m1,A2B3CD6_hP12_164_d_ad_b_c2d:Co-Li-Ni-O,12.0,"Invalid WP multiplicities - A2B3CD6_hP12_164_d_a2d_b_c4d:Co-Li-Ni-O, expected Li5Co2NiO10 to be Li3Co2NiO6" +mp-756594,Co(NiO2)4,-6.3466581954,-0.977244795,0.0262451896,0.0262451896,GGA+U,C2/m,AB4C8_mC26_12_a_bce_2ij:Co-Ni-O,13.0,"Invalid WP multiplicities - AB4C8_mC26_12_a_bc2e_2i2j:Co-Ni-O, expected Co(NiO2)6 to be Co(NiO2)4" +mp-755736,Li5Nb2Ni3O10,-7.036991905,-2.2092658267,0.0885894224,0.0885894224,GGA+U,P-1,A5B2C3D10_aP20_2_b2i_i_ei_5i:Li-Nb-Ni-O,20.0,"Invalid WP multiplicities - A5B2C3D10_aP20_2_b4i_i_ei_9i:Li-Nb-Ni-O, expected Li9Nb2(NiO6)3 to be Li5Nb2Ni3O10" +mp-772632,Li4Co5Ni3O16,-6.3019410675,-1.3139157153,0.0954527092,0.0954527092,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Co-Li-Ni-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Co-Li-Ni-O, expected Li4Co7Ni3O20 to be Li4Co5Ni3O16" +mp-1177722,Li3Co2Ni3O10,-6.1534367436,-1.3339533357,0.0691071598,0.0691071598,GGA+U,P2/m,A2B3C3D10_mP36_10_bcm_m2n_m2n_5m5n:Co-Li-Ni-O,36.0,"Invalid WP multiplicities - A2B3C3D10_mP36_10_bc2m_2m3n_2m3n_9m9n:Co-Li-Ni-O, expected Li5Co3Ni5O18 to be Li3Co2Ni3O10" +mp-760155,Li5Co4(NiO6)2,-6.2604928613,-1.5257788001,0.0767407228,0.0767407228,GGA+U,P1,A4B5C2D12_aP69_1_12a_15a_6a_36a:Co-Li-Ni-O,69.0,A4B5C2D12_aP69_1_12a_15a_6a_36a:Co-Li-Ni-O +mp-774300,Li3CoNi3O8,-6.0783487524,-1.4284150108,0.0148181708,0.0148181708,GGA+U,P-1,AB3C3D8_aP45_2_ci_bfg3i_ade3i_12i:Co-Li-Ni-O,45.0,"Invalid WP multiplicities - AB3C3D8_aP45_2_c2i_bfg5i_ade6i_24i:Co-Li-Ni-O, expected Li13Co5(Ni5O16)3 to be Li3CoNi3O8" +mp-764661,Li3CoNi3O8,-6.024320021,-1.3743862793,0.0688469023,0.0688469023,GGA+U,P31c,AB3C3D8_hP30_159_b_c_c_ab2c:Co-Li-Ni-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_159_b_c_c_2a2b10c:Co-Li-Ni-O, expected Li3CoNi3O34 to be Li3CoNi3O8" +mp-757871,Li3CoNi3O8,-6.0782216973,-1.4282879557,0.0149452259,0.0149452259,GGA+U,R-3m,AB3C3D8_hR45_166_a_d_e_ch:Co-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_d_e_c2h:Co-Li-Ni-O, expected Li3CoNi3O14 to be Li3CoNi3O8" +mp-760328,Li3CoNi3O8,-5.8735413603,-1.2236076187,0.2196255629,0.2196255629,GGA+U,P6_3mc,AB3C3D8_hP30_186_b_c_c_ab2c:Co-Li-Ni-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_186_b_c_c_2a2b10c:Co-Li-Ni-O, expected Li3CoNi3O34 to be Li3CoNi3O8" +mp-754319,Li3Nb(NiO2)4,-6.8195605169,-1.9119273887,0.0562998005,0.0562998005,GGA+U,C2/m,A3BC4D8_mC32_12_ae_d_bcf_2ij:Li-Nb-Ni-O,16.0,"Invalid WP multiplicities - A3BC4D8_mC32_12_ae_c_bd2f_2ij:Li-Nb-Ni-O, expected Li3Nb(Ni3O4)2 to be Li3Nb(NiO2)4" +mp-755037,LiNbCoO4,-7.9348742796,-2.3769742015,0.0618027486,0.0618027486,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Li-Nb-O,28.0,ABCD4_oI28_74_a_e_c_hi:Co-Li-Nb-O +mp-777452,LiNbCoO4,-7.9966046629,-2.4387045848,7.23654e-05,7.23654e-05,GGA+U,P4_322,ABCD4_tP28_95_c_a_b_2d:Co-Li-Nb-O,28.0,ABCD4_tP28_95_c_a_b_2d:Co-Li-Nb-O +mp-771821,LiNbCoO4,-7.9665676125,-2.4086675344,0.0301094157,0.0301094157,GGA+U,P4_322,ABCD4_tP28_95_a_b_c_2d:Co-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_b_c_3d:Co-Li-Nb-O, expected LiNbCoO6 to be LiNbCoO4" +mp-755029,Li5Nb2Co5O12,-7.2514687004,-2.0577571203,0.0851032359,0.0851032359,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Co-Li-Nb-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Co-Li-Nb-O, expected Li9Nb2Co5O12 to be Li5Nb2Co5O12" +mp-850772,Li8CoNi9O20,-5.9611517254,-1.3997121182,0.0251925649,0.0251925649,GGA+U,Pm,AB8C9D20_mP76_6_ab_7a9b_9a9b_20a20b:Co-Li-Ni-O,76.0,AB8C9D20_mP76_6_ab_7a9b_9a9b_20a20b:Co-Li-Ni-O +mp-1176867,Li8CoNi9O20,-5.9618511587,-1.4004115515,0.0244931316,0.0244931316,GGA+U,Pm,AB8C9D20_mP76_6_2a_6a10b_8a10b_20a20b:Co-Li-Ni-O,76.0,AB8C9D20_mP76_6_2a_6a10b_8a10b_20a20b:Co-Li-Ni-O +mp-1282499,LiCo2NiO6,-6.3960891995,-1.2375064591,0.0669684401,0.0669684401,GGA+U,P1,A2BCD6_aP20_1_4a_2a_2a_12a:Co-Li-Ni-O,20.0,A2BCD6_aP20_1_4a_2a_2a_12a:Co-Li-Ni-O +mp-754424,Li4NbNi3O8,-6.6575989988,-1.991916734,0.0462869551,0.0462869551,GGA+U,R-3m,A4BC3D8_hR48_166_ae_b_d_ch:Li-Nb-Ni-O,16.0,"Invalid WP multiplicities - A4BC3D8_hR48_166_ae_b_d_2c2h:Li-Nb-Ni-O, expected Li4NbNi3O16 to be Li4NbNi3O8" +mp-759805,Li6Co5Ni3O16,-6.258939085,-1.4761872318,0.0730964036,0.0730964036,GGA+U,Cm,A5B6C3D16_mC60_8_3ab_2a2b_ab_8a4b:Co-Li-Ni-O,30.0,"Invalid WP multiplicities - A5B6C3D16_mC60_8_3ab_2a2b_ab_8a7b:Co-Li-Ni-O, expected Li6Co5Ni3O22 to be Li6Co5Ni3O16" +mp-759912,Li10CoNi9O20,-5.949237102,-1.5204233318,0.0066950407,0.0066950407,GGA+U,P1,AB10C9D20_aP40_1_a_10a_9a_20a:Co-Li-Ni-O,40.0,AB10C9D20_aP40_1_a_10a_9a_20a:Co-Li-Ni-O +mp-769507,Li10CoNi9O20,-5.947880964,-1.5190671938,0.0080511787,0.0080511787,GGA+U,P2/m,AB10C9D20_mP40_10_b_eg2m2n_c2m2n_5m5n:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - AB10C9D20_mP40_10_b_dh4m4n_c4m3n_10m9n:Co-Li-Ni-O, expected Li18CoNi15O38 to be Li10CoNi9O20" +mp-1310345,LiCo3NiO8,-6.5018768146,-1.225913536,0.0289181038,0.0289181038,GGA+U,P-1,A3BCD8_aP26_2_af2i_i_bd_8i:Co-Li-Ni-O,26.0,"Invalid WP multiplicities - A3BCD8_mC52_15_a2f_e_b_8f:Co-Li-Ni-O, expected LiCo5NiO16 to be LiCo3NiO8" +mp-1176785,LiCo3NiO8,-6.4481297846,-1.172166506,0.0826651338,0.0826651338,GGA+U,C2/m,A3BCD8_mC26_12_be_c_a_2ij:Co-Li-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_a2f_c_b_3i4j:Co-Li-Ni-O, expected LiCo5NiO22 to be LiCo3NiO8" +mp-1301164,LiCo3NiO8,-6.5025845531,-1.2266212745,0.0282103654,0.0282103654,GGA+U,C2/m,A3BCD8_mC26_12_ae_c_b_2ij:Co-Li-Ni-O,26.0,"Invalid WP multiplicities - A3BCD8_aP13_2_acd_b_e_6i:Co-Li-Ni-O, expected LiCo3NiO12 to be LiCo3NiO8" +mp-1275497,LiCo3NiO8,-6.5063662069,-1.2304029283,0.0244287115,0.0244287115,GGA+U,C2/c,A3BCD8_mC52_15_abc_e_d_4f:Co-Li-Ni-O,26.0,"Invalid WP multiplicities - A3BCD8_mC52_15_2a2b2c_e_d_8f:Co-Li-Ni-O, expected LiCo6NiO16 to be LiCo3NiO8" +mp-1318786,LiCo3NiO8,-6.5022106935,-1.2262474149,0.028584225,0.028584225,GGA+U,C2/c,A3BCD8_mC52_15_cf_e_d_4f:Co-Li-Ni-O,26.0,"Invalid WP multiplicities - A3BCD8_aP26_2_af2i_i_bd_16i:Co-Li-Ni-O, expected LiCo3NiO16 to be LiCo3NiO8" +mp-779166,LiCo3NiO8,-6.4964856962,-1.2205224176,0.0343092223,0.0343092223,GGA+U,R-3m,A3BCD8_hR39_166_d_a_b_ch:Co-Li-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_hR39_166_d_a_b_2c3h:Co-Li-Ni-O, expected LiCo3NiO22 to be LiCo3NiO8" +mp-757125,Li5Nb2Co3O10,-7.2491910335,-2.222237788,0.0921912884,0.0921912884,GGA+U,P-1,A3B5C2D10_aP20_2_bi_c2i_i_5i:Co-Li-Nb-O,20.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_bi_c4i_i_9i:Co-Li-Nb-O, expected Li9Nb2(CoO6)3 to be Li5Nb2Co3O10" +mp-756787,Li3Co(NiO2)4,-6.2006131781,-1.4800417528,0.0198365096,0.0198365096,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_c2e_bd2f_2i2j:Co-Li-Ni-O, expected Li5Co(NiO2)6 to be Li3Co(NiO2)4" +mp-1177871,Li2NbCo3O8,-7.2344568564,-1.8903415815,0.0998899244,0.0998899244,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Co-Li-Nb-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Co-Li-Nb-O, expected Li2NbCo3O22 to be Li2NbCo3O8" +mp-757558,Li2NbCo3O8,-7.3124226254,-1.9683073505,0.0219241555,0.0219241555,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Co-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Co-Li-Nb-O, expected Li3Nb(CoO10)3 to be Li2NbCo3O8" +mp-758062,Li2NbCo3O8,-7.308046391299999,-1.9639311164,0.0263003896,0.0263003896,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Co-Li-Nb-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Co-Li-Nb-O, expected Li2NbCo3O70 to be Li2NbCo3O8" +mp-1177650,Li4Co2Ni5O12,-6.2030111883,-1.415477493,0.047047346,0.047047346,GGA+U,P1,A2B4C5D12_aP69_1_6a_12a_15a_36a:Co-Li-Ni-O,69.0,A2B4C5D12_aP69_1_6a_12a_15a_36a:Co-Li-Ni-O +mp-756616,Li3Nb4NiO12,-8.2575379665,-2.6939184678,0.0798194613,0.0798194613,GGA+U,P1,A3B4CD12_aP20_1_3a_4a_a_12a:Li-Nb-Ni-O,20.0,A3B4CD12_aP20_1_3a_4a_a_12a:Li-Nb-Ni-O +mp-2215121,Co4NiO8,-6.7225385946,-1.04662186,0.117683105,0.117683105,GGA+U,P-1,A4BC8_aP13_2_abcd_e_4i:Co-Ni-O,13.0,"Invalid WP multiplicities - A4BC8_aP13_2_abcd_e_7i:Co-Ni-O, expected Co4NiO14 to be Co4NiO8" +mp-755484,Co4NiO8,-6.6988236977,-1.0229069631,0.1413980019,0.1413980019,GGA+U,C2/m,A4BC8_mC26_12_bce_a_2ij:Co-Ni-O,13.0,"Invalid WP multiplicities - A4BC8_mC26_12_bce_a_3i2j:Co-Ni-O, expected Co4NiO14 to be Co4NiO8" +mp-772083,Li3Nb(CoO2)4,-7.1840888275,-1.9444104206,0.056964423,0.056964423,GGA+U,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Co-Li-Nb-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ade_cf_b_4i2j:Co-Li-Nb-O, expected Li3Nb(CoO4)4 to be Li3Nb(CoO2)4" +mp-867640,Li4CoNi3O8,-6.0426784944,-1.5640579324,0.0057968298,0.0057968298,GGA+U,C2/m,AB4C3D8_mC32_12_a_cde_bf_2ij:Co-Li-Ni-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_cd2f_be_3i4j:Co-Li-Ni-O, expected Li6CoNi3O22 to be Li4CoNi3O8" +mp-1277588,Li5Co3(NiO5)2,-6.1533923727,-1.5585559632,0.1048238292,0.1048238292,GGA+U,P1,A3B5C2D10_aP40_1_6a_10a_4a_20a:Co-Li-Ni-O,40.0,A3B5C2D10_aP40_1_6a_10a_4a_20a:Co-Li-Ni-O +mp-755076,Li5Co3(NiO5)2,-6.160716958,-1.5658805485,0.097499244,0.097499244,GGA+U,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_2b2i_d2i_i_5i:Co-Li-Ni-O, expected Li5Co6(NiO5)2 to be Li5Co3(NiO5)2" +mp-886018,Li5Co3(NiO5)2,-3.3515749265,1.243261483,2.9066412755,2.9066412755,GGA+U,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Co-Li-Ni-O,20.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_bi_d4i_i_9i:Co-Li-Ni-O, expected Li9Co3(NiO9)2 to be Li5Co3(NiO5)2" +mp-1344714,Li5Co3(NiO5)2,-4.714123235,-0.1192868255,1.544092967,1.544092967,GGA+U,P-1,A3B5C2D10_aP20_2_bi_c2i_i_5i:Co-Li-Ni-O,20.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_bi_c4i_i_9i:Co-Li-Ni-O, expected Li9Co3(NiO9)2 to be Li5Co3(NiO5)2" +mp-769524,Li11Nb4(Ni3O8)3,-6.9396800329,-2.1033231395,0.0647078865,0.0647078865,GGA+U,P1,A11B4C9D24_aP48_1_11a_4a_9a_24a:Li-Nb-Ni-O,48.0,A11B4C9D24_aP48_1_11a_4a_9a_24a:Li-Nb-Ni-O +mp-1120825,Li5CoNi9O20,-5.9872158866,-1.1984177016,0.0501515677,0.0501515677,GGA+U,P1,AB5C9D20_aP35_1_a_5a_9a_20a:Co-Li-Ni-O,35.0,AB5C9D20_aP35_1_a_5a_9a_20a:Co-Li-Ni-O +mp-779959,Li3Co2(NiO4)2,-6.2354008473,-1.496921698,0.0196927463,0.0196927463,GGA+U,P-1,A2B3C2D8_aP15_2_ad_efg_bc_4i:Co-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_ad_efg_bc_7i:Co-Li-Ni-O, expected Li3Co2(NiO7)2 to be Li3Co2(NiO4)2" +mp-755212,Li3Co2(NiO4)2,-6.1783048793,-1.43982573,0.0767887143,0.0767887143,GGA+U,C2/m,A2B3C2D8_mC30_12_ac_bf_e_2ij:Co-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_de_cfg_ab_7i:Co-Li-Ni-O, expected Li3Co2(NiO7)2 to be Li3Co2(NiO4)2" +mp-765625,Li5Co2Ni5O12,-6.1726213158,-1.5050297384,0.0419164626,0.0419164626,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2c_a2bc_12c:Co-Li-Ni-O, expected Li5Co2Ni5O24 to be Li5Co2Ni5O12" +mp-776283,Li4NbCo3O8,-6.9597086475,-2.0449924236,0.0732708933,0.0732708933,GGA+U,P1,A3B4CD8_aP16_1_3a_4a_a_8a:Co-Li-Nb-O,16.0,A3B4CD8_aP16_1_3a_4a_a_8a:Co-Li-Nb-O +mp-1304239,Li4NbCo3O8,-6.9666928497,-2.0519766258,0.0662866911,0.0662866911,GGA+U,P-1,A3B4CD8_aP32_2_ah2i_bdeg2i_cf_8i:Co-Li-Nb-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_ah2i_bdeg2i_cf_15i:Co-Li-Nb-O, expected Li4Nb(CoO5)3 to be Li4NbCo3O8" +mp-1177461,Li4NbCo3O8,-6.9686880369,-2.053971813,0.0642915039,0.0642915039,GGA+U,C2/m,A3B4CD8_mC32_12_ae_cdf_b_2ij:Co-Li-Nb-O,32.0,A3B4CD8_mC32_12_af_cde_b_2ij:Co-Li-Nb-O +mp-1273584,Li4NbCo3O8,-6.9704723512,-2.0557561274,0.0625071895,0.0625071895,GGA+U,C2/c,A3B4CD8_mC64_15_abc_2ef_d_4f:Co-Li-Nb-O,32.0,"Invalid WP multiplicities - A3B4CD8_mC64_15_2a2b2c_2ef_d_9f:Co-Li-Nb-O, expected Li4Nb(CoO3)6 to be Li4NbCo3O8" +mp-756727,Li4NbCo3O8,-6.9480043194,-2.0332880955,0.0849752214,0.0849752214,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Co-Li-Nb-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_ae_b_2c2h:Co-Li-Nb-O, expected Li4NbCo3O16 to be Li4NbCo3O8" +mp-756737,Li5Nb2Ni5O12,-6.9336946983,-2.0166875172,0.1013120983,0.1013120983,GGA+U,C2,A5B2C5D12_mC48_5_4ab_ab_a4b_6c:Li-Nb-Ni-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_4ab_ab_a4b_10c:Li-Nb-Ni-O, expected Li5Nb2(NiO4)5 to be Li5Nb2Ni5O12" +mp-771156,Li5Nb2Ni5O12,-6.9317840833,-2.0147769022,0.1032227133,0.1032227133,GGA+U,C2,A5B2C5D12_mC48_5_a2c_ab_a2bc_6c:Li-Nb-Ni-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a4c_ab_a2bc_6c:Li-Nb-Ni-O, expected Li9Nb2Ni5O12 to be Li5Nb2Ni5O12" +mp-775480,Li5Nb6NiO18,-8.2609718852,-2.7618726166,0.0540463453,0.0540463453,GGA+U,P1,A5B6CD18_aP60_1_10a_12a_2a_36a:Li-Nb-Ni-O,60.0,A5B6CD18_aP60_1_10a_12a_2a_36a:Li-Nb-Ni-O +mp-775263,Li6CoNi9O20,-5.9804803908,-1.2716787425,0.0396551746,0.0396551746,GGA+U,C2/m,AB6C9D20_mC72_12_a_3i_c4i_10i:Co-Li-Ni-O,36.0,"Invalid WP multiplicities - AB6C9D20_mC72_12_a_5i_d7i_18i:Co-Li-Ni-O, expected Li10Co(Ni5O12)3 to be Li6CoNi9O20" +mp-754316,Li3Co(NiO3)2,-6.0831184117,-1.5768274098,0.0167697911,0.0167697911,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Co-Li-Ni-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_di_i_5i:Co-Li-Ni-O, expected Li3Co(NiO5)2 to be Li3Co(NiO3)2" +mp-760869,Li3Co(NiO3)2,-6.0448483242,-1.5385573223,0.0550398786,0.0550398786,GGA+U,C2/c,AB3C2D6_mC48_15_c_ef_f_3f:Co-Li-Ni-O,24.0,"Invalid WP multiplicities - AB3C2D6_mC48_15_a_2e3f_f_10f:Co-Li-Ni-O, expected Li8Co(NiO10)2 to be Li3Co(NiO3)2" +mp-1222524,Li3Co(NiO3)2,-6.0261264625,-1.5198354606,0.0737617403,0.0737617403,GGA+U,P-3m1,AB3C2D6_hP12_164_a_bd_d_c2d:Co-Li-Ni-O,12.0,"Invalid WP multiplicities - AB3C2D6_hP12_164_a_b2d_d_c4d:Co-Li-Ni-O, expected Li5Co(NiO5)2 to be Li3Co(NiO3)2" +mp-759780,Li2Nb6NiO18,-8.573837137,-2.6758293794,0.0730727784,0.0730727784,GGA+U,P1,A2B6CD18_aP54_1_4a_12a_2a_36a:Li-Nb-Ni-O,54.0,A2B6CD18_aP54_1_4a_12a_2a_36a:Li-Nb-Ni-O +mp-769462,Li2Nb6NiO18,-8.571315583,-2.6733078253,0.0755943325,0.0755943325,GGA+U,P1,A2B6CD18_aP54_1_4a_12a_2a_36a:Li-Nb-Ni-O,54.0,A2B6CD18_aP54_1_4a_12a_2a_36a:Li-Nb-Ni-O +mp-769555,Li10Co3Ni7O20,-6.062876072,-1.5676532461,0.0164469793,0.0164469793,GGA+U,P-1,A3B10C7D20_aP40_2_ai_5i_b3i_10i:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - A3B10C7D20_mC80_12_a2i_9i_d5i_19i:Co-Li-Ni-O, expected Li18Co5Ni11O38 to be Li10Co3Ni7O20" +mp-1178111,Li10Co3Ni7O20,-6.0565229438,-1.5613001178,0.0228001076,0.0228001076,GGA+U,C2/m,A3B10C7D20_mC80_12_ai_5i_c3i_10i:Co-Li-Ni-O,40.0,"Invalid WP multiplicities - A3B10C7D20_mC80_12_a2i_9i_d5i_19i:Co-Li-Ni-O, expected Li18Co5Ni11O38 to be Li10Co3Ni7O20" +mp-780463,Ti11BeO20,-9.2799167263,-3.357304249,0.0289338014,0.0289338014,GGA,P-1,AB20C11_aP64_2_i_20i_11i:Be-O-Ti,64.0,"Invalid WP multiplicities - AB20C11_aP64_2_i_39i_21i:Be-O-Ti, expected Ti21BeO39 to be Ti11BeO20" +mp-1095481,TiSiO4,-8.7475152792,-3.2295877972,0.1556713725,0.1556713725,GGA,Cmcm,A4BC_oC24_63_fg_c_a:O-Si-Ti,12.0,A4BC_oC24_63_fg_c_a:O-Si-Ti +mp-1095453,TiSiO4,-8.6893038883,-3.1713764064,0.2138827633,0.2138827633,GGA,I4_1/a,A4BC_tI24_88_f_a_b:O-Si-Ti,12.0,A4BC_tI24_88_f_a_b:O-Si-Ti +mp-1101756,TiSiO4,-8.7497097817,-3.2317822997,0.15347687,0.15347687,GGA,I4_1/amd,A4BC_tI24_141_h_a_b:O-Si-Ti,12.0,A4BC_tI24_141_h_a_b:O-Si-Ti +mp-1364577,TiSiO4,-8.4819930022,-2.9640655203,0.4211936494,0.4211936494,GGA,Ia-3d,A4BC_cI144_230_h_d_c:O-Si-Ti,72.0,A4BC_cI144_230_h_d_c:O-Si-Ti +mp-1043372,MgTi(Si2O5)2,-8.0980996956,-3.0566039894,0.1610452563,0.1610452563,GGA,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Mg-O-Si-Ti,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Mg-O-Si-Ti, expected MgTi(Si2O11)2 to be MgTi(Si2O5)2" +mp-971724,Ti2Si2O5,-7.8406849467,-2.1323445412,0.8281758381000001,0.8281758381000001,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Si-Ti,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_h_ab:O-Si-Ti, expected Ti2Si2O9 to be Ti2Si2O5" +mp-1199408,TiSi5O13,-8.2238483813,-2.9960044122,0.1370450661,0.1370450661,GGA,C2/c,A13B5C_mC304_15_26f_2e9f_acf:O-Si-Ti,152.0,A13B5C_mC304_15_26f_2e9f_acf:O-Si-Ti +mp-1098351,Mg30TiSiO32,-6.3681892173,-2.9365759313,0.1029408627,0.1029408627,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-Ti, expected Mg90TiSiO80 to be Mg30TiSiO32" +mp-1098353,Mg30TiSiO32,-6.3689170972,-2.9373038111,0.1022129829,0.1022129829,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-Ti, expected Mg110TiSiO72 to be Mg30TiSiO32" +mp-2230918,MgTi2(SiO3)4,-8.2452067768,-3.0634804222,0.2056788674,0.2056788674,GGA,C2,AB12C4D2_mC38_5_a_6c_2c_ab:Mg-O-Si-Ti,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_5_a_12c_4c_ab:Mg-O-Si-Ti, expected MgTi2(SiO3)8 to be MgTi2(SiO3)4" +mp-2230845,MgTi2(SiO3)4,-8.3811106589,-3.1993843043,0.0697749853,0.0697749853,GGA,C2,AB12C4D2_mC38_5_a_6c_2c_ab:Mg-O-Si-Ti,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_5_a_12c_4c_ab:Mg-O-Si-Ti, expected MgTi2(SiO3)8 to be MgTi2(SiO3)4" +mp-1047872,MgTi2Be3(SiO4)3,-7.9175840154,-2.9535020485,0.2000076065,0.2000076065,GGA,P2_1/c,A3BC12D3E2_mP84_14_3e_e_12e_3e_2e:Be-Mg-O-Si-Ti,84.0,"Invalid WP multiplicities - A3BC12D3E2_mP84_14_4e_e_17e_3e_2e:Be-Mg-O-Si-Ti, expected MgTi2Be4Si3O17 to be MgTi2Be3(SiO4)3" +mp-1250045,Mg3Ti2(Si2O7)2,-7.9944762759,-3.1446180906,0.1104810076,0.1104810076,GGA,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Mg-O-Si-Ti,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Mg-O-Si-Ti, expected Mg3TiSi5O27 to be Mg3Ti2(Si2O7)2" +mp-1021368,Mg6TiSi,-2.7818018262,0.0835094671,0.2825325388,0.2825325388,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-Ti, expected Mg12TiSi to be Mg6TiSi" +mp-1021369,Mg6TiSi,-2.7763750119,0.0889362815,0.2879593532,0.2879593532,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Ti, expected Mg12TiSi to be Mg6TiSi" +mp-1034210,Mg14TiSiO16,-6.4164672841,-2.8267250926000003,0.1982681961,0.1982681961,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-Ti,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-Ti, expected Mg18TiSiO20 to be Mg14TiSiO16" +mp-1034194,Mg14TiSiO16,-6.41714123,-2.8273990385000003,0.1975942501,0.1975942501,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-Ti,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-Ti, expected Mg30TiSiO32 to be Mg14TiSiO16" +mp-1256211,MgTiSiO5,-8.2275144525,-3.2706977459,0.0669099769,0.0669099769,GGA,P1,AB5CD_aP16_1_2a_10a_2a_2a:Mg-O-Si-Ti,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Mg-O-Si-Ti +mp-1046534,MgTiSiO5,-8.20376555,-3.2469488434,0.0906588794,0.0906588794,GGA,Cc,AB5CD_mC32_9_a_5a_a_a:Mg-O-Si-Ti,16.0,"Invalid WP multiplicities - AB5CD_mC32_9_a_7a_a_a:Mg-O-Si-Ti, expected MgTiSiO7 to be MgTiSiO5" +mp-25301,Ti(SiO3)2,-8.6873991,-3.3067035062,0.03947997,0.03947997,GGA,C2/c,A6B2C_mC36_15_3f_f_e:O-Si-Ti,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_9f_f_e:O-Si-Ti, expected Ti(SiO9)2 to be Ti(SiO3)2" +mp-766596,Ti(SiO3)2,-8.6802174012,-3.2995218075,0.0466616687,0.0466616687,GGA,Pbca,A6B2C_oP72_61_6c_2c_c:O-Si-Ti,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_21c_5c_c:O-Si-Ti, expected TiSi5O21 to be Ti(SiO3)2" +mp-1041763,Ti(SiO3)2,-8.6824901572,-3.3017945634,0.0443889128,0.0443889128,GGA,Pbca,A6B2C_oP72_61_6c_2c_c:O-Si-Ti,72.0,"Invalid WP multiplicities - A6B2C_oP72_61_41c_8c_c:O-Si-Ti, expected TiSi8O41 to be Ti(SiO3)2" +mp-1026490,Mg14TiSi,-2.1829522631,0.0498434085,0.1598131182,0.1598131182,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Ti, expected Mg18TiSi to be Mg14TiSi" +mp-1026493,Mg14TiSi,-2.1687567469,0.0640389248,0.1740086344,0.1740086344,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Ti, expected Mg26TiSi to be Mg14TiSi" +mp-1154515,MgTi(SiO3)2,-8.0288989725,-3.0262449331,0.1611746066,0.1611746066,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-Ti,20.0,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-Ti +mp-1041491,MgTi(SiO3)2,-8.0186011525,-3.0159471131,0.1714724266,0.1714724266,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Mg-O-Si-Ti,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Mg-O-Si-Ti, expected MgTiSi8O41 to be MgTi(SiO3)2" +mp-1262556,Mg3Ti2(SiO4)3,-7.9428832835,-3.1314811431,0.1216780065,0.1216780065,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Ti,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Ti +mp-1031147,Mg6TiSiO8,-6.4971849337,-2.5911849315,0.4047613465,0.4047613465,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-Ti, expected Mg6TiSiO12 to be Mg6TiSiO8" +mp-1031157,Mg6TiSiO8,-6.5305958644,-2.6245958621,0.3713504159,0.3713504159,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-Ti, expected Mg6TiSiO12 to be Mg6TiSiO8" +mp-1041165,Ti2Be3(SiO4)3,-8.1867372921,-3.0544652295,0.1750016938,0.1750016938,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Be-O-Si-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_4e_17e_3e_2e:Be-O-Si-Ti, expected Ti2Be4Si3O17 to be Ti2Be3(SiO4)3" +mp-1187465,TiBeO3,-7.608062538,-2.3130683349,1.029820195,1.029820195,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Ti,5.0,AB3C_cP5_221_b_c_a:Be-O-Ti +mp-1217602,Ti4Si2O17,-7.7172339247,-2.2160899152,0.4638243256,0.4638243256,GGA,P-42_1c,A17B2C4_tP92_114_d8e_e_2e:O-Si-Ti,92.0,"Invalid WP multiplicities - A17B2C4_tP92_114_d35e_e_11e:O-Si-Ti, expected Ti22Si2O71 to be Ti4Si2O17" +mp-1178991,Ti4(SiO8)3,-7.0314279616,-1.6579295349,0.646655104,0.646655104,GGA,P-43m,A24B3C4_cP31_215_ad2ei_c_e:O-Si-Ti,31.0,A24B3C4_cP31_215_ad2ei_c_e:O-Si-Ti +mp-2227821,MgTi2(SiO4)2,-8.2378475292,-3.0212775421,0.2484019938,0.2484019938,GGA,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Si-Ti,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-Si-Ti, expected MgTi2(SiO8)2 to be MgTi2(SiO4)2" +mp-2219637,MgTi2(SiO4)2,-8.1544962577,-2.9379262705,0.3317532654,0.3317532654,GGA,C2/m,AB8C2D2_mC26_12_b_2ij_i_ac:Mg-O-Si-Ti,13.0,AB8C2D2_mC26_12_b_2ij_i_ac:Mg-O-Si-Ti +mp-2219565,MgTi2(SiO4)2,-8.1389562023,-2.9223862151,0.3472933208,0.3472933208,GGA,C2/m,AB8C2D2_mC26_12_a_2ij_i_i:Mg-O-Si-Ti,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_12_a_4i2j_i_i:Mg-O-Si-Ti, expected MgTi2(SiO8)2 to be MgTi2(SiO4)2" +mp-2219002,MgTi2(SiO4)2,-7.9806313808,-2.7640613936,0.5056181423,0.5056181423,GGA,Amm2,AB8C2D2_oC26_38_a_2cde_ab_c:Mg-O-Si-Ti,13.0,"Invalid WP multiplicities - AB8C2D2_oC26_38_a_4cd2e_ab_c:Mg-O-Si-Ti, expected MgTi2(SiO7)2 to be MgTi2(SiO4)2" +mp-2219468,MgTi2(SiO4)2,-8.3602453154,-3.1436753282,0.1260042077,0.1260042077,GGA,Amm2,AB8C2D2_oC26_38_a_2cde_ab_c:Mg-O-Si-Ti,13.0,"Invalid WP multiplicities - AB8C2D2_oC26_38_a_4cd2e_ab_c:Mg-O-Si-Ti, expected MgTi2(SiO7)2 to be MgTi2(SiO4)2" +mp-1043406,Ti(Si2O5)2,-8.4069000128,-3.1359899296,0.1789329918,0.1789329918,GGA,P4/ncc,A10B4C_tP60_130_f2g_g_c:O-Si-Ti,60.0,"Invalid WP multiplicities - A10B4C_tP60_130_f5g_g_c:O-Si-Ti, expected Ti(Si2O11)2 to be Ti(Si2O5)2" +mp-669318,Eu5Si(Cl3O2)2,-8.5273573344,-3.0530884697,0.0,-0.0072787988,GGA,C2/c,A6B5C4D_mC64_15_ce2f_e2f_2f_e:Cl-Eu-O-Si,32.0,"Invalid WP multiplicities - A6B5C4D_mC64_15_2a2e5f_2e2f_5f_e:Cl-Eu-O-Si, expected Eu6Si(Cl7O5)2 to be Eu5Si(Cl3O2)2" +mp-14629,Li2EuSiO4,-7.9001516612,-2.9892866102,0.0,-0.0142726291,GGA,P3_121,AB2C4D_hP24_152_a_c_2c_b:Eu-Li-O-Si,24.0,"Invalid WP multiplicities - AB2C4D_hP24_152_a_c_5c_b:Eu-Li-O-Si, expected Li2EuSiO10 to be Li2EuSiO4" +mp-1223068,Li7Eu8Si4Cl7O16,-7.9546204606,-2.97351278,0.0031341467,0.0031341467,GGA,Pc,A7B8C7D16E4_mP84_7_7a_8a_7a_16a_4a:Cl-Eu-Li-O-Si,84.0,"Invalid WP multiplicities - A7B8C7D16E4_mP84_7_10a_12a_10a_24a_6a:Cl-Eu-Li-O-Si, expected Li5Eu6Si3Cl5O12 to be Li7Eu8Si4Cl7O16" +mp-679929,LiEu3SiCl3O4,-8.3240457071,-3.0375781136,0.0,-0.0057569304,GGA,Pmna,A3B3CD4E_oP48_53_hi_fgh_ab_2hi_h:Cl-Eu-Li-O-Si,48.0,"Invalid WP multiplicities - A3B3CD4E_oP48_53_4h4i_3f3g3h_2a2b_6h4i_h:Cl-Eu-Li-O-Si, expected Li2Eu9Si(Cl6O7)2 to be LiEu3SiCl3O4" +mp-581678,LiEu2Si3,-6.9377332358,-0.4879198097,0.0,-0.0221842784,GGA,C2/m,A2BC3_mC24_12_2i_i_3i:Eu-Li-Si,12.0,"Invalid WP multiplicities - A2BC3_mC24_12_4i_i_5i:Eu-Li-Si, expected LiEu4Si5 to be LiEu2Si3" +mp-555322,Eu2SiCl2O3,-8.7248263419,-3.1652687064,0.0,-0.0270956389,GGA,I4/m,A2B2C3D_tI64_87_deh_i_hi_h:Cl-Eu-O-Si,32.0,"Invalid WP multiplicities - A2B2C3D_tI64_87_2d2e2h_i_4h3i_h:Cl-Eu-O-Si, expected Eu2Si(Cl2O5)2 to be Eu2SiCl2O3" +mp-22484,Ba7MnFe6F34,-6.257423065,-3.3739803144,0.0,-0.0005705897,GGA+U,C2/m,A7B34C6D_mC96_12_aij_3i7j_ij_d:Ba-F-Fe-Mn,48.0,"Invalid WP multiplicities - A7B34C6D_mC96_12_aij_3i7j_i2j_d:Ba-F-Fe-Mn, expected Ba7MnFe10F34 to be Ba7MnFe6F34" +mp-1205910,MnCd3F6,-4.159584976,-1.8196291383,0.559298874,0.559298874,GGA+U,P-1,A3B6C_aP10_2_bce_3i_a:Cd-F-Mn,10.0,A3B6C_aP10_2_bce_3i_a:Cd-F-Mn +mp-1214631,Ba2MnCdFe2F14,-6.0336470323,-3.1524668874,0.0070019605,0.0070019605,GGA+U,C2/c,A2BC14D2E_mC80_15_f_e_7f_f_a:Ba-Cd-F-Fe-Mn,40.0,A2BC14D2E_mC80_15_f_e_7f_f_c:Ba-Cd-F-Fe-Mn +mp-22728,BaMnFeF7,-6.5164786412,-3.2233422198,0.009269062,0.009269062,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Fe-Mn,40.0,AB7CD_mP40_14_e_7e_e_e:Ba-F-Fe-Mn +mp-1214477,BaCdFeF7,-5.5481231205,-3.0788992522,0.0074271618,0.0074271618,GGA+U,C2/c,ABC7D_mC80_15_f_ae_7f_f:Ba-Cd-F-Fe,40.0,ABC7D_mC80_15_f_ce_7f_f:Ba-Cd-F-Fe +mp-557222,MnCdF5,-5.4461647907,-2.6401219493,0.0039620893,0.0039620893,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_ab:Cd-F-Mn,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_17e_2ad:Cd-F-Mn, expected Mn3Cd2F34 to be MnCdF5" +mp-1180135,MnCdF5,-5.4455580111,-2.6395151697,0.0045688689,0.0045688689,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_ab:Cd-F-Mn,28.0,"Invalid WP multiplicities - AB5C_mP28_14_e_17e_2ad:Cd-F-Mn, expected Mn3Cd2F34 to be MnCdF5" +mp-556506,MnCdF5,-5.446072995,-2.6400301536,0.004053885,0.004053885,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Cd-F-Mn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Cd-F-Mn, expected MnCdF7 to be MnCdF5" +mp-1520438,CaEu(GeO3)4,-7.0055317139,-1.9991440675,0.2803708626,0.2803708626,GGA,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ca-Eu-Ge-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ca-Eu-Ge-O, expected CaEu(GeO4)4 to be CaEu(GeO3)4" +mp-1229313,CaEu2(GeO3)4,-7.8773077971,-2.5945720374,0.0,-0.0097178994,GGA,Cmme,AB2C4D12_oC76_67_c_ae_o_mn2o:Ca-Eu-Ge-O,38.0,"Invalid WP multiplicities - AB2C4D12_oC76_67_c_ae_o_3m2n9o:Ca-Eu-Ge-O, expected CaEu2(Ge2O23)2 to be CaEu2(GeO3)4" +mp-1522640,CaCeEuGeO6,-8.265683493,-3.0157983973,0.1840370485,0.1840370485,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-Eu-Ge-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-Eu-Ge-O +mp-865847,Lu2CuPt,-5.6448782475,-0.84181799,0.0,-0.0138117882,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Lu-Pt,4.0,AB2C_cF16_225_a_c_b:Cu-Lu-Pt +mp-21868,Ba2Lu(CuO2)3,-6.4433900642,-2.2486690077,0.0240037867,0.0240037867,GGA,P4/mmm,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-Lu-O,12.0,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-Lu-O +mp-20324,Ba2LuCu3O7,-6.4492052192,-2.196640497,0.0403003135,0.0403003135,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Lu-O,13.0,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Lu-O +mp-1214446,Ba8Lu3(Pt2O9)2,-7.0042500976,-2.6939597593,0.0,-0.0190448171,GGA,Pm-3m,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Lu-O-Pt,33.0,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Lu-O-Pt +mp-1214855,Ba2Lu2CuPtO8,-7.1822323579,-2.7091108864,0.0232556401,0.0232556401,GGA,Pnma,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Lu-O-Pt,56.0,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Lu-O-Pt +mp-753414,Lu2Pt2O7,-7.5717233559,-2.4979971142,0.0,-0.1171865217,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Lu-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Lu-O-Pt, expected LuPtO10 to be Lu2Pt2O7" +mp-505268,BaLu2CuO5,-7.5549919939,-3.1334890821,0.0436899729,0.0436899729,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Lu-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Lu-O +mp-1516455,NaCaTbSeO6,-6.50059768,-2.3867441781,0.1889704771,0.1889704771,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Se-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Se-Tb +mp-999127,NaTbSe2,-5.17412897,-1.9369503828,0.0,-0.1328698597,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-Se-Tb,4.0,AB2C_hR12_166_a_c_b:Na-Se-Tb +mp-1521314,NaEu(NiO3)4,-6.0000725183,-0.7744981656000001,0.3787300192,0.3787300192,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Eu-Na-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Eu-Na-Ni-O, expected NaEu(Ni2O9)2 to be NaEu(NiO3)4" +mp-1520656,NaEuZr2O6,-9.126850049,-3.2913439869,0.0877626985,0.0877626985,GGA,Cmmm,ABC6D2_oC20_65_a_b_ehj_f:Eu-Na-O-Zr,10.0,ABC6D2_oC20_65_a_b_ehj_f:Eu-Na-O-Zr +mp-1520576,NaEuZr2O6,-9.048100923,-3.2125948609,0.1665118245,0.1665118245,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Eu-Na-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:Eu-Na-O-Zr +mp-1522086,CaNdZrCrO6,-8.673179574,-3.207716806,0.199055479,0.199055479,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-Nd-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-Nd-O-Zr +mp-755055,ZrCrO3,-9.6000272715,-2.9918644248,0.0859321942,0.0859321942,GGA+U,Pnma,AB3C_oP20_62_a_cd_c:Cr-O-Zr,20.0,AB3C_oP20_62_a_cd_c:Cr-O-Zr +mp-1227184,CaNd3Cr4O16,-8.2402863758,-2.6540675659,0.0089262867,0.0089262867,GGA+U,P-4m2,AB4C3D16_tP24_115_a_bdg_cg_2j2k:Ca-Cr-Nd-O,24.0,"Invalid WP multiplicities - AB4C3D16_tP24_115_a_bdg_cg_8j8k:Ca-Cr-Nd-O, expected CaNd3Cr4O64 to be CaNd3Cr4O16" +mp-1227175,CaNdCrO4,-8.3221293771,-3.1487651446,0.0407122411,0.0407122411,GGA+U,C2/m,ABCD4_mC28_12_i_ad_i_2ij:Ca-Cr-Nd-O,14.0,ABCD4_mC28_12_i_ac_i_2ij:Ca-Cr-Nd-O +mp-1227141,CaNdCrO4,-8.3164307521,-3.1430665196,0.0464108661,0.0464108661,GGA+U,Cmc2_1,ABCD4_oC28_36_a_a_a_2ab:Ca-Cr-Nd-O,14.0,"Invalid WP multiplicities - ABCD4_oC28_36_a_a_a_4ab:Ca-Cr-Nd-O, expected CaNdCrO6 to be CaNdCrO4" +mp-1227067,CaNdCrO4,-8.30046987,-3.1271056375,0.0623717482,0.0623717482,GGA+U,I4mm,ABCD4_tI14_107_a_a_a_2ab:Ca-Cr-Nd-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Ca-Cr-Nd-O +mp-1650178,ZrCrO4,-9.20063016,-2.8693796692,0.062127835,0.062127835,GGA+U,P1,AB4C_aP24_1_4a_16a_4a:Cr-O-Zr,24.0,AB4C_aP24_1_4a_16a_4a:Cr-O-Zr +mp-756487,ZrCrO4,-9.1939819825,-2.8627314917,0.0687760125,0.0687760125,GGA+U,Pbcn,AB4C_oP24_60_c_2d_c:Cr-O-Zr,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Cr-O-Zr, expected ZrCrO10 to be ZrCrO4" +mp-1518380,CaNdCr4O12,-7.9242151633,-2.104981734,0.3020575539,0.3020575539,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ca-Cr-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ca-Cr-Nd-O, expected CaNdCr4O18 to be CaNdCr4O12" +mp-1521692,BaZn(SeO3)4,-5.1975064933,-0.9462493269,0.6101922729,0.6101922729,GGA,P4/mmm,AB12C4D_tP18_123_a_efr_i_d:Ba-O-Se-Zn,18.0,"Invalid WP multiplicities - AB12C4D_tP18_123_a_2e2fr_i_d:Ba-O-Se-Zn, expected BaZn(SeO4)4 to be BaZn(SeO3)4" +mp-1046965,BaZn(AgO2)4,-4.5653847629,-0.7023524590000001,0.2857957946,0.2857957946,GGA,P-31m,A4BC8D_hP14_162_h_a_ck_b:Ag-Ba-O-Zn,14.0,A4BC8D_hP14_162_h_a_ck_b:Ag-Ba-O-Zn +mp-1190528,Ba2ZnSe3,-4.43242232,-1.8348509995,0.004843865,0.004843865,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ba-Se-Zn,24.0,A2B3C_oP24_62_2c_3c_c:Ba-Se-Zn +mp-657353,BaZn(SeO3)2,-5.1934718888,-1.2084045115,0.7092826272,0.7026132711,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Ba-O-Se-Zn,40.0,"Invalid WP multiplicities - AB6C2D_mP40_14_e_19e_6e_e:Ba-O-Se-Zn, expected BaZnSe6O19 to be BaZn(SeO3)2" +mp-1182842,BaZn(SeO3)2,-5.637052398,-1.6519850207,0.265702118,0.2590327619,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Ba-O-Se-Zn,40.0,"Invalid WP multiplicities - AB6C2D_mP40_14_e_19e_6e_e:Ba-O-Se-Zn, expected BaZnSe6O19 to be BaZn(SeO3)2" +mp-1205399,BaZn(SeO3)2,-5.902754516,-1.9176871387,0.0,-0.0066693561,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Ba-O-Se-Zn,40.0,AB6C2D_mP40_14_e_6e_2e_e:Ba-O-Se-Zn +mp-622268,Ba2ZnAg2(SeO)2,-4.7300617556,-1.6580611028,0.0153108174,0.0153108174,GGA,Cmce,A2B2C2D2E_oC36_64_e_d_f_d_a:Ag-Ba-O-Se-Zn,18.0,A2B2C2D2E_oC36_64_e_d_f_d_a:Ag-Ba-O-Se-Zn +mp-1097365,Ba2ZnAg,-0.8169048775000001,1.1656574958,1.3917020052,1.3917020052,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ba-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Ba-Zn +mp-1147544,Ba2TlCu3O7,-5.6879458962000005,-1.601404818,0.0668505374,0.0668505374,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Tl,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Tl +mp-20942,Ba2TlCuO5,-5.7739732489,-1.8813906652,0.0657838089,0.0657838089,GGA,P4/mmm,A2BC5D_tP9_123_h_b_ceg_a:Ba-Cu-O-Tl,9.0,A2BC5D_tP9_123_h_b_ceg_a:Ba-Cu-O-Tl +mp-1228363,Ba2Tl2CuO6,-5.6311456255,-1.7818206154,0.0110571762,0.0110571762,GGA,C2/m,A2BC6D2_mC22_12_i_a_e2i_i:Ba-Cu-O-Tl,11.0,A2BC6D2_mC22_12_i_a_f2i_i:Ba-Cu-O-Tl +mp-6027,Ba2Tl2CuO6,-5.6362812441,-1.786956234,0.0059215576,0.0059215576,GGA,Cmce,A2BC6D2_oC44_64_f_a_e2f_f:Ba-Cu-O-Tl,22.0,A2BC6D2_oC44_64_f_a_e2f_f:Ba-Cu-O-Tl +mp-550722,Ba2Tl2CuO6,-5.6323194218,-1.7829944117,0.0098833799,0.0098833799,GGA,I4/mmm,A2BC6D2_tI22_139_e_a_c2e_e:Ba-Cu-O-Tl,11.0,A2BC6D2_tI22_139_e_a_c2e_e:Ba-Cu-O-Tl +mp-1046130,Ba2Tl2Zn2Cu3O10,-5.3292376479,-1.4951728839,0.1294889868,0.1294889868,GGA,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Cu-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Cu-O-Tl-Zn +mp-1371798,Ba2Tl2Zn3(CuO3)4,-5.2201679930000005,-1.3897524183,0.1901827225,0.1901827225,GGA,I4/mmm,A2B4C12D2E3_tI46_139_e_2e_2e2g_e_ae:Ba-Cu-O-Tl-Zn,23.0,"Invalid WP multiplicities - A2B4C12D2E3_tI46_139_e_3e_4e6g_e_ae:Ba-Cu-O-Tl-Zn, expected Ba2Tl2Zn3(Cu3O16)2 to be Ba2Tl2Zn3(CuO3)4" +mp-984724,Ba2TlZn,-2.1592832925,-0.2941991333,0.0,-0.0506838346,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Tl-Zn,4.0,A2BC_cF16_225_c_a_b:Ba-Tl-Zn +mp-1228311,Ba4Tl4Cu2O11,-5.5366823229,-1.7396127271,0.0604185879,0.0604185879,GGA,Cm,A4B2C11D4_mC42_8_4a_2a_7a2b_4a:Ba-Cu-O-Tl,21.0,"Invalid WP multiplicities - A4B2C11D4_mC42_8_4a_2a_7a3b_4a:Ba-Cu-O-Tl, expected Ba4Tl4Cu2O13 to be Ba4Tl4Cu2O11" +mp-1046963,BaZn(CuO2)4,-5.3927222964,-1.1677898021,0.1744377667,0.1744377667,GGA,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Cu-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Cu-O-Zn +mp-1386589,BaTlCuO4,-5.5041953114,-1.4802553683,0.1530334416,0.1530334416,GGA,I4/mmm,ABC4D_tI28_139_e_e_2eg_e:Ba-Cu-O-Tl,14.0,"Invalid WP multiplicities - ABC4D_tI28_139_e_e_4e2g_e:Ba-Cu-O-Tl, expected BaTlCuO8 to be BaTlCuO4" +mp-1522095,NaPrNb4O12,-8.9398952122,-3.058288782,0.0930885054,0.0930885054,GGA,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Na-Nb-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Na-Nb-O-Pr, expected NaPrNb4O16 to be NaPrNb4O12" +mp-1522162,NaPrNb2O6,-8.554257487,-2.9556401474,0.1595066115,0.1595066115,GGA,Fm-3m,AB2C6D_cF40_225_a_c_d_b:Na-Nb-O-Pr,10.0,AB2C6D_cF40_225_a_c_d_b:Na-Nb-O-Pr +mp-1522403,NaPrHfNbO6,-8.806244279,-3.2220385404,0.1487446377,0.1487446377,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Pr +mp-1522861,Sr2SmCrO6,-7.538500495,-2.7954252171,0.1895668292,0.1895668292,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sm-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sm-Sr +mp-1521525,SrSmCr4O12,-7.8947461572,-2.0958276015,0.3224249051,0.3224249051,GGA+U,P4/mmm,A4B12CD_tP18_123_i_efr_a_d:Cr-O-Sm-Sr,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_i_2e2fr_a_d:Cr-O-Sm-Sr, expected SrSmCr4O16 to be SrSmCr4O12" +mp-1521920,Sr2CrSnO6,-7.217492921,-2.5453190711,0.0972841491,0.0972841491,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sn-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sn-Sr +mp-2883,Sm2Sn2O7,-7.7347689659,-2.9999383333000003,0.0,-0.0941601131,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sm-Sn,22.0,A7B2C2_cF88_227_af_c_d:O-Sm-Sn +mp-1516332,SrSmCrSnO6,-7.699768172,-2.7246850539,0.1805870845,0.1805870845,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_b_d:Cr-O-Sm-Sn-Sr,10.0,AB6CDE_cF40_216_a_f_c_b_d:Cr-O-Sm-Sn-Sr +mp-1516557,Sr2TbNbO6,-8.2235958388,-3.4441168073,0.0166617772,0.0166617772,GGA,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Nb-O-Sr-Tb,40.0,AB6C2D_cP40_201_b_h_ad_c:Nb-O-Sr-Tb +mp-1516644,Sr2TbNbO6,-8.173567813,-3.3940887816,0.0666898029,0.0666898029,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Tb +mp-1521856,NaSrTbNbO6,-7.707947106,-2.9651648906,0.1321745247,0.1321745247,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sr-Tb +mp-1220869,NaSrNb2O6,-8.323929275,-3.0344531656,0.0,-0.0012586098,GGA,Cmmm,AB2C6D_oC20_65_a_f_ehj_b:Na-Nb-O-Sr,10.0,AB2C6D_oC20_65_a_f_ehj_b:Na-Nb-O-Sr +mp-6361,NaSr3NbO6,-7.2601408277,-3.0626460131,0.0,-0.0271603625,GGA,R-3c,ABC6D3_hR66_167_a_b_f_e:Na-Nb-O-Sr,22.0,ABC6D3_hR66_167_a_b_f_e:Na-Nb-O-Sr +mp-1220952,NaSr2Nb5O15,-8.7277960976,-3.101345312,0.0521982411,0.0521982411,GGA,Cmm2,AB5C15D2_oC92_35_d_ab2f_abde6f_ce:Na-Nb-O-Sr,46.0,"Invalid WP multiplicities - AB5C15D2_oC92_35_d_ab3f_abde9f_ce:Na-Nb-O-Sr, expected NaSr2Nb7O21 to be NaSr2Nb5O15" +mp-1221316,Na2Sr2Nb4O13,-8.25021543,-2.97706253,0.1077765571,0.1077765571,GGA,Imm2,A2B4C13D2_oI42_44_c_cd_2a3b2e_d:Na-Nb-O-Sr,21.0,A2B4C13D2_oI42_44_c_cd_2a3b2e_d:Na-Nb-O-Sr +mp-555812,NaSr3BiO6,-6.1356385355,-2.5073088036,0.0,-0.0596969362,GGA,R-3c,ABC6D3_hR66_167_b_a_f_e:Bi-Na-O-Sr,22.0,ABC6D3_hR66_167_b_a_f_e:Bi-Na-O-Sr +mp-1519218,NaSrZrBiO6,-7.053613215,-2.5455791376,0.0833115368,0.0833115368,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Zr +mp-1518505,SrSmZrCrO6,-8.658306005,-3.2294100094,0.1880122245,0.1880122245,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Cr-O-Sm-Sr-Zr,10.0,AB6CDE_cF40_216_a_f_c_d_b:Cr-O-Sm-Sr-Zr +mp-1080742,Sr2ZrCrO6,-8.2449456918,-3.1189589643,0.035371137,0.035371137,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Zr,40.0,"Invalid WP multiplicities - AB6C2D_tP20_136_a_e7f7g_d_b:Cr-O-Sr-Zr, expected Sr2ZrCrO30 to be Sr2ZrCrO6" +mp-1036838,SrMg30NiO32,-6.2979938142,-2.9578052143,0.0409891533,0.0409891533,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Sr, expected SrMg90NiO80 to be SrMg30NiO32" +mp-1036839,SrMg30NiO32,-6.3013236902,-2.9611350903,0.0376592773,0.0376592773,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Sr, expected SrMg110NiO72 to be SrMg30NiO32" +mp-1031799,SrMg6NiO8,-6.1728452769,-2.6325440192,0.2005125531,0.2005125531,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Sr, expected SrMg6NiO12 to be SrMg6NiO8" +mp-1031806,SrMg6NiO8,-6.1739883475,-2.6336870898,0.1993694825,0.1993694825,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Sr, expected SrMg6NiO12 to be SrMg6NiO8" +mp-1198840,SrNiRu5O11,-7.5547914616,-1.5406126473,0.0544767185,0.0544767185,GGA+U,P6_3/m,AB11C5D_hP144_176_ch_f4h5i_e3i_dh:Ni-O-Ru-Sr,144.0,AB11C5D_hP144_176_ch_f4h5i_e3i_dh:Ni-O-Ru-Sr +mp-2233353,Sr2MgRu3O10,-7.1924610794,-2.0506259738,0.0923303772,0.0923303772,GGA,P1,AB10C3D2_aP16_1_a_10a_3a_2a:Mg-O-Ru-Sr,16.0,AB10C3D2_aP16_1_a_10a_3a_2a:Mg-O-Ru-Sr +mp-2233117,Sr2MgRu3O10,-7.2005331444,-2.0586980388,0.0842583122,0.0842583122,GGA,P1,AB10C3D2_aP16_1_a_10a_3a_2a:Mg-O-Ru-Sr,16.0,AB10C3D2_aP16_1_a_10a_3a_2a:Mg-O-Ru-Sr +mp-2228091,SrMgNiO3,-6.3250957717,-2.3400997188,0.1149256767,0.1149256767,GGA+U,Cm,ABC3D_mC12_8_a_a_3a_a:Mg-Ni-O-Sr,6.0,ABC3D_mC12_8_a_a_3a_a:Mg-Ni-O-Sr +mp-1078758,Sr2NiRuO6,-6.9550142735,-2.1436484341,0.0,-0.050304139,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ni-O-Ru-Sr,20.0,AB6CD2_cF40_225_a_e_b_c:Ni-O-Ru-Sr +mp-1034783,SrMg14NiO16,-6.2562305372,-2.849337718,0.0942107178,0.0942107178,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Sr, expected SrMg18NiO20 to be SrMg14NiO16" +mp-1034738,SrMg14NiO16,-6.2554395487,-2.8485467296,0.0950017063,0.0950017063,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Sr, expected SrMg30NiO32 to be SrMg14NiO16" +mp-2240136,SrMg(RuO3)2,-7.088893983,-1.9370228979,0.2073191605,0.2073191605,GGA,Cm,AB6C2D_mC20_8_a_2a2b_b_a:Mg-O-Ru-Sr,10.0,AB6C2D_mC20_8_a_2a2b_b_a:Mg-O-Ru-Sr +mp-2226699,SrMg(RuO3)2,-7.185409751,-2.0335386659,0.1108033925,0.1108033925,GGA,Imm2,AB6C2D_oI20_44_a_abe_c_b:Mg-O-Ru-Sr,10.0,"Invalid WP multiplicities - AB6C2D_oI20_44_a_ab2e_c_b:Mg-O-Ru-Sr, expected SrMg(RuO5)2 to be SrMg(RuO3)2" +mp-2239945,SrMg(RuO3)2,-7.097166985,-1.9452958999,0.1990461585,0.1990461585,GGA,P312,AB6C2D_hP10_149_a_l_bd_e:Mg-O-Ru-Sr,10.0,AB6C2D_hP10_149_a_l_bd_e:Mg-O-Ru-Sr +mp-2240073,SrMg(RuO3)2,-7.198503689,-2.0466326039,0.0977094545,0.0977094545,GGA,P-31m,AB6C2D_hP10_162_a_k_c_b:Mg-O-Ru-Sr,10.0,"Invalid WP multiplicities - AB6C2D_mC20_12_a_2i2j_g_c:Mg-O-Ru-Sr, expected SrMg(RuO6)2 to be SrMg(RuO3)2" +mp-2228500,SrMg(NiO2)4,-6.1533572407,-1.4402265326,0.1687702296,0.1687702296,GGA+U,Cm,AB4C8D_mC28_8_a_2ab_4a2b_a:Mg-Ni-O-Sr,14.0,"Invalid WP multiplicities - AB4C8D_mC28_8_a_2ab_4a3b_a:Mg-Ni-O-Sr, expected SrMg(Ni2O5)2 to be SrMg(NiO2)4" +mp-2228533,SrMg(NiO2)4,-6.1533434914,-1.4402127833,0.1687839789,0.1687839789,GGA+U,C2/m,AB4C8D_mC28_12_c_abe_2ij_d:Mg-Ni-O-Sr,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_a_cde_3i3j_b:Mg-Ni-O-Sr, expected SrMg(Ni2O9)2 to be SrMg(NiO2)4" +mp-2223668,Sr2MgNiRuO6,-6.4890459545,-1.9695970051,0.3846169173,0.3846169173,GGA+U,Cm,ABC6DE2_mC22_8_a_a_2a2b_a_2a:Mg-Ni-O-Ru-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_mC22_8_a_a_2a4b_a_2a:Mg-Ni-O-Ru-Sr, expected Sr2MgNiRuO10 to be Sr2MgNiRuO6" +mp-2226143,Sr2MgNiRuO6,-6.4652446,-1.9457956505,0.4084182718,0.4084182718,GGA+U,Immm,ABC6DE2_oI22_71_c_a_el_b_f:Mg-Ni-O-Ru-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_oI22_71_c_a_2e2l_b_f:Mg-Ni-O-Ru-Sr, expected Sr2MgNiRuO12 to be Sr2MgNiRuO6" +mp-2223673,Sr2MgNiRuO6,-6.5664770445,-2.0470280951,0.3071858273,0.3071858273,GGA+U,R3m,ABC6DE2_hR33_160_a_a_2b_a_2a:Mg-Ni-O-Ru-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_hR33_160_a_a_6b_a_2a:Mg-Ni-O-Ru-Sr, expected Sr2MgNiRuO18 to be Sr2MgNiRuO6" +mp-1047131,BaCa(BiO2)4,-6.1828727914,-1.9785841464,0.1351581768,0.1351581768,GGA,P-31m,AB4CD8_hP14_162_a_h_b_ck:Ba-Bi-Ca-O,14.0,AB4CD8_hP14_162_a_h_b_ck:Ba-Bi-Ca-O +mp-1518502,Ba2EuBiO6,-7.3677125368,-2.606155229,0.0,-0.0691962101,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Eu-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Eu-O +mp-1518556,Ba2EuBiO6,-7.359637736,-2.5980804283,0.0080748007,-0.0611214094,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Eu-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Eu-O +mp-1147549,Ba4Ca(BiO4)3,-6.398923598,-2.3707620197,0.009724715,0.009724715,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Bi-Ca-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_3d4e:Ba-Bi-Ca-O, expected Ba4Ca(BiO14)3 to be Ba4Ca(BiO4)3" +mp-1214698,Ba2CaBiO6,-6.384652957,-2.4482358413,0.0275477205,0.0275477205,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ca-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ca-O +mp-1228277,Ba3CaBi2O9,-6.4235292627,-2.4259491719,0.0,-0.0269066287,GGA,Immm,A3B2CD9_oI60_71_fn_abg_h_e3ln:Ba-Bi-Ca-O,30.0,"Invalid WP multiplicities - A3B2CD9_oI60_71_2f2n_abg_h_2e12l2n:Ba-Bi-Ca-O, expected Ba6Ca(BiO15)2 to be Ba3CaBi2O9" +mp-1516652,BaCaEuBiO6,-7.359307242,-2.5890874403,0.0199212234,0.0199212234,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-Eu-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-Eu-O, expected BaCaEuBiO12 to be BaCaEuBiO6" +mp-1516505,BaCaEuBiO6,-7.3572106597,-2.586990858,0.0220178056,0.0220178056,GGA,P222,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Eu-O,40.0,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Eu-O +mp-1523341,BaCaEuBiO6,-7.3420821725,-2.5718623707,0.0371462929,0.0371462929,GGA,Pnnn,ABCDE6_oP40_48_ab_e_f_cd_3m:Ba-Bi-Ca-Eu-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_f_2c2d_6m:Ba-Bi-Ca-Eu-O, expected BaCaEu2BiO12 to be BaCaEuBiO6" +mp-1516643,BaCaEuBiO6,-7.244172378,-2.4739525763,0.1350560874,0.1350560874,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Eu-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Eu-O +mp-1523088,BaCaEuBiO6,-7.207350592,-2.4371307903,0.1718778734,0.1718778734,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ca-Eu-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ca-Eu-O +mp-1220472,NbGaCu,-5.9500370367,-0.2071677925,0.0367029617,0.0367029617,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-Ga-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-Ga-Nb, expected Nb3(GaCu)2 to be NbGaCu" +mp-1043833,Ca2Nb2CuO8,-8.0452546008,-2.8232141238,0.1128273902,0.1128273902,GGA,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Ca-Cu-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Ca-Cu-Nb-O, expected Ca2Nb2CuO10 to be Ca2Nb2CuO8" +mp-1227237,CaNb2Ga2(CuO4)3,-7.1953242835,-2.199209956,0.1085318516,0.1085318516,GGA,C2/m,AB3C2D2E12_mC40_12_a_bcd_e_f_2i2j:Ca-Cu-Ga-Nb-O,20.0,AB3C2D2E12_mC40_12_a_bcd_f_e_2i2j:Ca-Cu-Ga-Nb-O +mp-686705,CaNb2Ga2(CuO4)3,-7.2172477742,-2.2211334467,0.0866083609,0.0866083609,GGA,Pn-3,AB3C2D2E12_cP40_201_a_d_b_c_h:Ca-Cu-Ga-Nb-O,40.0,AB3C2D2E12_cP40_201_a_d_b_c_h:Ca-Cu-Ga-Nb-O +mp-1204714,Ca4NbGaO8,-7.4826535525,-3.1451313902,0.0151947785,0.0151947785,GGA,P2_1/c,A4BCD8_mP56_14_4e_e_e_8e:Ca-Ga-Nb-O,56.0,A4BCD8_mP56_14_4e_e_e_8e:Ca-Ga-Nb-O +mp-1103862,Ba3SrNb2O9,-8.0548856413,-3.2436038577,0.0209230403,-0.0038809371,GGA,P-3m1,A3B2C9D_hP15_164_ad_d_ei_b:Ba-Nb-O-Sr,15.0,A3B2C9D_hP15_164_ad_d_ei_b:Ba-Nb-O-Sr +mp-540949,Ba3SrNb2O9,-8.0758086817,-3.264526898,0.0,-0.0248039774,GGA,P6_3/m,A3B2C9D_hP30_176_af_f_hi_b:Ba-Nb-O-Sr,30.0,A3B2C9D_hP30_176_af_f_hi_b:Ba-Nb-O-Sr +mp-540794,Ba3SrNb2O9,-8.0600204203,-3.2487386367,0.0157882613,-0.0090157161,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Nb-O-Sr,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Nb-O-Sr +mp-1522073,BaSrSmNbO6,-8.207185865,-3.3963366814,0.0231699684,0.0231699684,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Sm-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Sm-Sr +mp-1521926,BaSrSmNbO6,-8.170939667,-3.3600904834,0.0594161664,0.0594161664,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Sm-Sr +mp-1228768,Ba2Sr3Nb10O30,-8.9342267071,-3.1937791076,0.0322170306,0.0322170306,GGA,P1,A2B10C30D3_aP45_1_2a_10a_30a_3a:Ba-Nb-O-Sr,45.0,A2B10C30D3_aP45_1_2a_10a_30a_3a:Ba-Nb-O-Sr +mp-1228700,Ba2Sr3Nb10O30,-8.927611008,-3.1871634085,0.0388327297,0.0388327297,GGA,P2,A2B10C30D3_mP45_3_e_bc4e_bc14e_ae:Ba-Nb-O-Sr,45.0,A2B10C30D3_mP45_3_e_ac4e_ac14e_be:Ba-Nb-O-Sr +mp-8496,Sr2SmNbO6,-8.214991039,-3.4270900041,0.0032816766,0.0032816766,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Nb-O-Sm-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Nb-O-Sm-Sr +mp-1516711,Sr2SmNbO6,-8.1810290812,-3.3931280463,0.0372436343,0.0372436343,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Sm-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Sm-Sr +mp-1516728,Sr2SmNbO6,-8.115141449,-3.3272404141,0.1031312666,0.1031312666,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sm-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sm-Sr +mp-1520939,Ba2SmNbO6,-8.2311852168,-3.3973878845,0.0,-0.0135502429,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Sm,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Sm +mp-22184,Ba2SmNbO6,-8.230807519,-3.3970101867,0.0003776978,-0.0131725452,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Sm +mp-510544,SrSm2Nb2O9,-8.8550095943,-3.4371900082,0.066312735,0.066312735,GGA,Cmc2_1,A2B9C2D_oC56_36_b_a4b_b_a:Nb-O-Sm-Sr,28.0,A2B9C2D_oC56_36_b_a4b_b_a:Nb-O-Sm-Sr +mp-1519357,BaSrNb4O12,-8.8928434856,-3.1498460918,0.0729256757,0.0729256757,GGA,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Nb-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Nb-O-Sr, expected BaSrNb4O16 to be BaSrNb4O12" +mp-1227501,BaSrSm4O8,-8.0230402457,-3.5904457726,0.0166701285,0.0166701285,GGA,Pmc2_1,AB8C4D_oP28_26_a_4a4b_2a2b_b:Ba-O-Sm-Sr,28.0,AB8C4D_oP28_26_a_4a4b_2a2b_b:Ba-O-Sm-Sr +mp-9757,BaSm2PtO5,-7.6940778083,-3.0095529099,0.0028959483,0.0028959483,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pt-Sm,18.0,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pt-Sm +mp-9737,Ba4Sm4Zn3PtO15,-6.9282217054,-2.8318906269,0.0081232563,0.0081232563,GGA,P6_3mc,A4B15CD4E3_hP54_186_bc_3cd_b_ac_c:Ba-O-Pt-Sm-Zn,54.0,"Invalid WP multiplicities - A4B15CD4E3_hP54_186_bc_3cd_b_2a2c_c:Ba-O-Pt-Sm-Zn, expected Ba4Sm8Zn3PtO15 to be Ba4Sm4Zn3PtO15" +mp-1208902,Sm2ZnPtO6,-7.2510863795,-2.6062682328,0.0341532431,0.0341532431,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Pt-Sm-Zn,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Pt-Sm-Zn +mp-6452,BaSm2ZnO5,-7.3379261656,-3.1880001237,0.0095354264,0.0095354264,GGA,Pnma,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Sm-Zn,36.0,"Invalid WP multiplicities - AB5C2D_oP36_62_c_c2d_4c_c:Ba-O-Sm-Zn, expected BaSm4ZnO5 to be BaSm2ZnO5" +mp-562920,CsAl(SiO3)2,-7.760606773,-3.24343212,0.0,-0.0243987791,GGA,I4_1/acd,ABC6D2_tI160_142_f_f_3g_g:Al-Cs-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_tI160_142_f_f_29g_g:Al-Cs-O-Si, expected CsAl(SiO29)2 to be CsAl(SiO3)2" +mp-1204107,Al4Fe2Si5O18,-8.2119652662,-3.1054365527,0.0,-0.0112025552,GGA+U,Cccm,A4B2C18D5_oC116_66_kl_g_3l3m_a2l:Al-Fe-O-Si,58.0,A4B2C18D5_oC116_66_kl_g_3l3m_a2l:Al-Fe-O-Si +mp-1201495,Cs2Al2Si3O10,-7.6232480162,-3.2100246276,0.0110307499,0.0110307499,GGA,Fdd2,A2B2C10D3_oF136_43_b_b_5b_ab:Al-Cs-O-Si,34.0,A2B2C10D3_oF136_43_b_b_5b_ab:Al-Cs-O-Si +mp-1192933,CsAlSiO4,-7.4538101846,-3.1890886022,0.0,-0.0475573025,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Al-Cs-O-Si,28.0,ABC4D_oP28_33_a_a_4a_a:Al-Cs-O-Si +mp-561457,CsAlSiO4,-7.4535954721,-3.1888738897,0.0002147125,-0.04734259,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Al-Cs-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_5c4d_c:Al-Cs-O-Si, expected CsAlSiO13 to be CsAlSiO4" +mp-1226105,CsAlFe3(SiO4)3,-7.9447960365,-2.6604330136,0.0362138909,0.0362138909,GGA+U,P1,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Al-Cs-Fe-O-Si,20.0,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Al-Cs-Fe-O-Si +mp-6172,Al2Fe3(SiO4)3,-8.2126151158,-2.78574342,0.0244395585,0.0244395585,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Fe-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Fe-O-Si +mp-1198093,Al2Fe(SiO5)2,-7.6264115665,-2.5411651637,0.2293545997,0.2293545997,GGA+U,Ccce,A2BC10D2_oC120_68_ef_e_5i_i:Al-Fe-O-Si,60.0,A2BC10D2_oC120_68_ef_e_5i_i:Al-Fe-O-Si +mp-1197460,Al4Fe(SiO6)2,-7.9106470237,-2.9810035961,0.1325711362,0.1325711362,GGA+U,Cmcm,A4BC12D2_oC76_63_eg_c_f3gh_g:Al-Fe-O-Si,38.0,A4BC12D2_oC76_63_eg_c_f3gh_g:Al-Fe-O-Si +mp-644325,CsFeSiO4,-7.4480140868,-2.5083717358,0.0,-0.0391476341,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cs-Fe-O-Si,28.0,ABC4D_oP28_33_a_a_4a_a:Cs-Fe-O-Si +mp-1229042,Al9Fe2(SiO6)4,-8.0454038731,-3.1461211531,0.0353945664,0.0353945664,GGA+U,C2/m,A9B2C24D4_mC78_12_aghj_i_2i5j_j:Al-Fe-O-Si,39.0,"Invalid WP multiplicities - A9B2C24D4_mC78_12_a2g2hj_i_2i7j_j:Al-Fe-O-Si, expected Al13Fe2(SiO8)4 to be Al9Fe2(SiO6)4" +mp-1226735,CsAl3(SiO4)3,-7.5752437455,-2.9558569830000003,0.1977422043,0.1977422043,GGA,Cc,A3BC12D3_mC76_9_3a_a_12a_3a:Al-Cs-O-Si,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_9_4a_a_18a_4a:Al-Cs-O-Si, expected CsAl4(Si2O9)2 to be CsAl3(SiO4)3" +mp-1215154,Al2FeSiO5,-7.5456719146,-2.4212347528,0.579320979,0.579320979,GGA+U,Ccce,A2BC5D_oC144_68_2i_i_5i_i:Al-Fe-O-Si,72.0,A2BC5D_oC144_68_2i_i_5i_i:Al-Fe-O-Si +mp-1250723,AlFe3(SiO4)3,-7.9455088959,-2.4301479441,0.2446758418,0.2446758418,GGA+U,Ia-3,AB3C12D3_cI152_206_a_d_2e_d:Al-Fe-O-Si,76.0,"Invalid WP multiplicities - AB3C12D3_cI152_206_a_d_19e_d:Al-Fe-O-Si, expected AlFe3(SiO38)3 to be AlFe3(SiO4)3" +mp-1226440,CsAlSi5O12,-8.0394163553,-3.2432146244,0.0118701126,0.0118701126,GGA,Cc,ABC12D5_mC76_9_a_a_12a_5a:Al-Cs-O-Si,38.0,"Invalid WP multiplicities - ABC12D5_mC76_9_a_a_17a_7a:Al-Cs-O-Si, expected CsAlSi7O17 to be CsAlSi5O12" +mp-1522197,NaLa(NiO3)4,-5.7467474872,-0.8167839509,0.4449687006,0.4449687006,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:La-Na-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:La-Na-Ni-O, expected NaLa(Ni2O9)2 to be NaLa(NiO3)4" +mp-1220731,NaLaNb2O7,-8.7302727591,-3.1768215357,0.0580641714,0.0580641714,GGA,I-4m2,ABC2D7_tI22_119_a_c_e_be2f:La-Na-Nb-O,11.0,"Invalid WP multiplicities - ABC2D7_tI22_119_a_c_e_be3f:La-Na-Nb-O, expected NaLaNb2O9 to be NaLaNb2O7" +mp-1220780,NaLaNb4O12,-9.0138153694,-3.1235921976,0.0452598384,0.0452598384,GGA,I4/mmm,ABC4D12_tI36_139_a_b_g_cdm:La-Na-Nb-O,18.0,ABC4D12_tI36_139_a_b_g_cdm:La-Na-Nb-O +mp-1520737,NaLaNb2O6,-8.643472146,-3.0293446714,0.117256635,0.117256635,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:La-Na-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:La-Na-Nb-O +mp-1211522,La2NbNiO6,-8.609308728,-3.0659499082,0.1719843384,0.1719843384,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:La-Nb-Ni-O,20.0,A2BCD6_mP20_14_e_a_d_3e:La-Nb-Ni-O +mp-1044544,BaCaMn4O8,-7.9351115171,-2.2103868258,0.186917712,0.186917712,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Mn-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Mn-O +mp-1048549,Ba2Ca3Mn4Tl2O12,-7.0656665296,-2.2574768984,0.146125556,0.146125556,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Mn-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Mn-O-Tl, expected Ba2Ca3Mn6Tl2O32 to be Ba2Ca3Mn4Tl2O12" +mp-1095980,BaCaTl2,-0.9225095275,1.2399557508,1.6092681475,1.6092681475,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Tl,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Tl +mp-1046494,Ba2Ca2Mn3Tl2O10,-6.9383844626,-2.2264176773,0.1228773252,0.1228773252,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Mn-O-Tl,19.0,A2B2C3D10E2_mC38_8_2a_2a_3a_10a_2a:Ba-Ca-Mn-O-Tl +mp-1048461,Ba2Mn2TlO7,-6.8724442325,-1.9431571834,0.2940039535,0.2940039535,GGA+U,P4/mmm,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Mn-O-Tl,12.0,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Mn-O-Tl +mp-556409,Ba7Ca2Mn5O20,-7.37477829,-2.6045466716,0.0,-0.0136547676,GGA+U,R-3m,A7B2C5D20_hR102_166_a3c_c_b2c_c3h:Ba-Ca-Mn-O,34.0,"Invalid WP multiplicities - A7B2C5D20_hR102_166_a4c_c_b2c_2c14h:Ba-Ca-Mn-O, expected Ba9Ca2Mn5O88 to be Ba7Ca2Mn5O20" +mp-1522423,BaCaMn4O12,-7.2341143422,-1.6822865354,0.3395453515,0.3395453515,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Ca-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Ca-Mn-O, expected BaCaMn4O16 to be BaCaMn4O12" +mp-1046464,BaMn2TlO6,-6.8833328475,-1.6547547537,0.3666400571,0.3666400571,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Ba-Mn-O-Tl,20.0,AB2C6D_aP20_1_2a_4a_12a_2a:Ba-Mn-O-Tl +mp-1344591,Ba2Mn3Tl2O10,-6.8908676612,-1.8605047693,0.1774053702,0.1774053702,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Mn-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Mn-O-Tl +mp-1205690,Sr2NbCrO6,-8.3867394497,-3.1053922813,0.0,-0.0297418848,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Nb-O-Sr,40.0,ABC6D2_cF40_225_a_b_e_c:Cr-Nb-O-Sr +mp-1520209,Sr2EuNbO6,-8.553363086000001,-3.2116204846,0.0493648534,0.0493648534,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Eu-Nb-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Eu-Nb-O-Sr +mp-1520277,Sr2EuNbO6,-8.486518424,-3.1447758226,0.1162095154,0.1162095154,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Eu-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Eu-Nb-O-Sr +mp-1516448,SrEuNb4O12,-9.3725896567,-3.1663685484,0.0300600337,0.0300600337,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Eu-Nb-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Eu-Nb-O-Sr, expected SrEuNb4O18 to be SrEuNb4O12" +mp-1517600,Sr2EuCrO6,-7.947151999,-2.6502351546,0.1653705491,0.1653705491,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Eu-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Eu-O-Sr +mp-1518389,SrEuNbCrO6,-9.212595751,-3.0744977479,0.0091166534,0.0091166534,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sr +mp-1032309,BaMg6CoO8,-6.0216072387,-2.3839520684,0.4270428304,0.4270428304,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Co-Mg-O, expected BaMg6CoO12 to be BaMg6CoO8" +mp-1032360,BaMg6CoO8,-6.0552919744,-2.4176368041,0.3933580948,0.3933580948,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Co-Mg-O, expected BaMg6CoO12 to be BaMg6CoO8" +mp-1037023,BaMg30CoO32,-6.272424203,-2.9078971249,0.0853818243,0.0853818243,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Co-Mg-O, expected BaMg90CoO80 to be BaMg30CoO32" +mp-1036978,BaMg30CoO32,-6.2655536373,-2.9010265593,0.0922523899,0.0922523899,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Co-Mg-O, expected BaMg110CoO72 to be BaMg30CoO32" +mp-1233724,Ba4MgTl8O16,-5.3815348514,-1.6806953906,0.0872891225,0.0872891225,GGA,Pm,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl,29.0,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl +mp-1234007,Ba4MgTl8O16,-5.3632073059,-1.6623678451,0.105616668,0.105616668,GGA,Pm,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl,29.0,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl +mp-1234206,Ba4MgTl8O16,-5.3524759928,-1.651636532,0.1163479811,0.1163479811,GGA,Pm,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl,29.0,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl +mp-1234949,Ba4MgTl8O16,-5.358614499,-1.6577750382,0.1102094749,0.1102094749,GGA,Pm,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl,29.0,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl +mp-1234967,Ba4MgTl8O16,-5.391086391,-1.6902469302,0.0777375829,0.0777375829,GGA,Pm,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl,29.0,A4BC16D8_mP29_6_2a2b_a_8a8b_4a4b:Ba-Mg-O-Tl +mp-1035119,BaMg14CoO16,-6.1986030762,-2.7430333008,0.1894842983,0.1894842983,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Co-Mg-O, expected BaMg18CoO20 to be BaMg14CoO16" +mp-1035182,BaMg14CoO16,-6.1779314316,-2.7223616561,0.210155943,0.210155943,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Co-Mg-O, expected BaMg30CoO32 to be BaMg14CoO16" +mp-2210607,BaMgCoO3,-6.1264451117,-1.8818386252,0.5240806061000001,0.5240806061000001,GGA+U,P4/mmm,ABCD3_tP6_123_a_d_b_ce:Ba-Co-Mg-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_a_d_b_c2e:Ba-Co-Mg-O, expected BaMgCoO5 to be BaMgCoO3" +mp-1044533,BaMg(CoO2)4,-6.740729955,-1.6317273936,0.2193522213,0.2193522213,GGA+U,P-31m,AB4CD8_hP14_162_a_h_b_ck:Ba-Co-Mg-O,14.0,AB4CD8_hP14_162_a_h_b_ck:Ba-Co-Mg-O +mp-1046491,Ba2Mg2Tl2Co3O10,-6.1720149821,-1.8269814679,0.1676852032,0.1676852032,GGA+U,P1,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Co-Mg-O-Tl,19.0,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Co-Mg-O-Tl +mp-1022077,BaMg6Co,-2.1226561244,0.205965505,0.2650209189,0.2650209189,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Co-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Co-Mg, expected BaMg12Co to be BaMg6Co" +mp-1022221,BaMg6Co,-2.1299123225,0.1987093069,0.2577647208,0.2577647208,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Co-Mg,8.0,ABC6_oC16_38_a_b_abde:Ba-Co-Mg +mp-1028411,BaMg14Co,-1.8356686025,0.1287822372,0.1705567703,0.1705567703,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Co-Mg, expected BaMg18Co to be BaMg14Co" +mp-1028406,BaMg14Co,-1.7979451812,0.1665056584,0.2082801916,0.2082801916,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Co-Mg, expected BaMg26Co to be BaMg14Co" +mp-2228363,Ba4Mg(Co2O5)2,-6.6190031168,-2.0307747957,0.1621704216,0.1621704216,GGA+U,P1,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Co-Mg-O,19.0,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Co-Mg-O +mp-2230717,Ba4Mg(Co2O5)2,-6.6692448642,-2.081016543,0.1119286743,0.1119286743,GGA+U,Cm,A4B4CD10_mC38_8_2b_2ab_a_2a4b:Ba-Co-Mg-O,19.0,"Invalid WP multiplicities - A4B4CD10_mC38_8_3b_2ab_a_2a6b:Ba-Co-Mg-O, expected Ba6Mg(Co2O7)2 to be Ba4Mg(Co2O5)2" +mp-1097631,Ba2MgTl,-0.8659771425,1.0842411267,1.330456515,1.25853093,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Mg-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Mg-Tl +mp-1183219,Ba2MgTl,-2.1964336575,-0.2462153883,0.0,-0.071925585,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Ba-Mg-Tl +mp-2217280,MgTl2(CoO3)2,-5.9699710518,-1.4043043063,0.1414013529,0.1414013529,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Tl,11.0,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Tl +mp-2217929,MgTl2(CoO3)2,-5.8370352518,-1.2713685063,0.2743371529,0.2743371529,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Tl,11.0,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Tl +mp-2227473,Ba2Mg(CoO3)2,-6.6011193364,-2.1161195375,0.1576158761,0.1576158761,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Ba-Co-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Ba-Co-Mg-O +mp-2217341,Ba2Mg(CoO3)2,-6.3343782109,-1.849378412,0.4243570016,0.4243570016,GGA+U,C2,A2B2CD6_mC22_5_ab_c_a_ab2c:Ba-Co-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_5_ab_c_a_ab3c:Ba-Co-Mg-O, expected Ba2Mg(CoO4)2 to be Ba2Mg(CoO3)2" +mp-2217607,Ba2Mg(CoO3)2,-6.5516837409,-2.066683942,0.2070514716,0.2070514716,GGA+U,C2/m,A2B2CD6_mC22_12_i_ac_b_ij:Ba-Co-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_12_i_bc_a_i2j:Ba-Co-Mg-O, expected Ba2Mg(CoO5)2 to be Ba2Mg(CoO3)2" +mp-2217970,Ba2Mg(CoO3)2,-6.3194579373,-1.8344581384,0.4392772752,0.4392772752,GGA+U,P-6m2,A2B2CD6_hP11_187_bc_i_a_jk:Ba-Co-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_hP11_187_bc_i_a_2j2k:Ba-Co-Mg-O, expected Ba2Mg(CoO6)2 to be Ba2Mg(CoO3)2" +mp-1093902,BaMgTl2,-0.8980679050000001,1.1630674158,1.4627840725,1.4627840725,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Mg-Tl,4.0,ABC2_oI8_71_a_b_e:Ba-Mg-Tl +mp-1046344,Ba2Mg3Tl2(CoO3)4,-6.0236968017,-1.6255397566,0.4003825848,0.4003825848,GGA+U,I4/mmm,A2B4C3D12E2_tI46_139_e_2e_ae_2e2g_e:Ba-Co-Mg-O-Tl,23.0,"Invalid WP multiplicities - A2B4C3D12E2_tI46_139_e_3e_ae_4e6g_e:Ba-Co-Mg-O-Tl, expected Ba2Mg3Tl2(Co3O16)2 to be Ba2Mg3Tl2(CoO3)4" +mp-1518287,Sr2BiSbO6,-6.5545383788,-2.4516774243,0.0271328979,0.0271328979,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Sb-Sr +mp-1518359,Sr2BiSbO6,-6.488395183,-2.3855342286,0.0932760936,0.0932760936,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sb-Sr +mp-1013585,Sr3BiSb,-3.286778262,-0.6791841160000001,0.310150757,0.310150757,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Bi-Sb-Sr,5.0,ABC3_cP5_221_a_b_c:Bi-Sb-Sr +mp-1013706,Sr3BiSb,-3.138934002,-0.531339856,0.457995017,0.457995017,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Bi-Sb-Sr,5.0,ABC3_cP5_221_b_a_c:Bi-Sb-Sr +mp-555078,Ba3SrSb2O9,-6.7399527227,-2.7249781124,0.0,-0.0608342105,GGA,P-1,A3B9C2D_aP30_2_3i_9i_2i_ab:Ba-O-Sb-Sr,30.0,"Invalid WP multiplicities - A3B9C2D_aP30_2_4i_17i_3i_ab:Ba-O-Sb-Sr, expected Ba4SrSb3O17 to be Ba3SrSb2O9" +mp-1013584,Ba3BiSb,-3.419603402,-0.6743203640000001,0.3368021082,0.3368021082,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-Bi-Sb,5.0,A3BC_cP5_221_c_a_b:Ba-Bi-Sb +mp-1013719,Ba3BiSb,-3.285428436,-0.540145398,0.4709770742,0.4709770742,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-Bi-Sb,5.0,A3BC_cP5_221_c_b_a:Ba-Bi-Sb +mp-1518348,BaSrBiSbO6,-6.5856677705,-2.4598586674,0.0104577007,0.0104577007,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Bi-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Bi-O-Sb-Sr, expected BaSrBiSbO12 to be BaSrBiSbO6" +mp-1518566,BaSrBiSbO6,-6.5781427043,-2.4523336012,0.017982767,0.017982767,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Sb-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Sb-Sr +mp-1227677,BaSrBiSbO6,-6.584089173,-2.4582800699,0.0120362982,0.0120362982,GGA,R3,ABC6DE_hR30_146_a_a_2b_a_a:Ba-Bi-O-Sb-Sr,10.0,ABC6DE_hR30_146_a_a_2b_a_a:Ba-Bi-O-Sb-Sr +mp-1518516,BaSrBiSbO6,-6.540485897,-2.4146767939,0.0556395742,0.0556395742,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Sb-Sr +mp-988230,Ba2BiSbO6,-4.453890156,-0.3051329043,2.153592163,2.1057620442,GGA,P-1,A2BC6D_aP10_2_i_a_3i_c:Ba-Bi-O-Sb,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_a_6i_c:Ba-Bi-O-Sb, expected Ba2BiSbO12 to be Ba2BiSbO6" +mp-643903,Ba2BiSbO6,-5.145418606,-0.9966613542,1.462063713,1.4142335942,GGA,P-1,A2BC6D_aP10_2_i_a_3i_c:Ba-Bi-O-Sb,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_a_6i_c:Ba-Bi-O-Sb, expected Ba2BiSbO12 to be Ba2BiSbO6" +mp-1182508,Ba2BiSbO6,-5.654959083,-1.5062018313,0.952523236,0.9046931172,GGA,P-1,A2BC6D_aP10_2_i_a_3i_d:Ba-Bi-O-Sb,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_a_6i_d:Ba-Bi-O-Sb, expected Ba2BiSbO12 to be Ba2BiSbO6" +mp-1407554,Ba2BiSbO6,-4.70550104,-0.5567437883,1.901981279,1.8541511602,GGA,P-1,A2BC6D_aP10_2_i_a_3i_c:Ba-Bi-O-Sb,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_a_6i_c:Ba-Bi-O-Sb, expected Ba2BiSbO12 to be Ba2BiSbO6" +mp-23127,Ba2BiSbO6,-6.607482319,-2.4587250672,0.0,-0.0478301188,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Sb,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Sb +mp-23091,Ba2BiSbO6,-6.607341224,-2.4585839723,0.000141095,-0.0476890238,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Sb,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Sb +mp-1521651,Ba2BiSbO6,-6.5992607467,-2.450503495,0.0082215722,-0.0396085465,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Sb +mp-545603,Ba2BiSbO6,-6.598717748,-2.4499604963,0.008764571,-0.0390655478,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Sb +mp-1220439,Nd2(CoNi)5,-6.2804697533,-0.11558915,0.0758254513,0.0758254513,GGA,Pmmm,A5B2C5_oP12_47_eij_bc_hx:Co-Nd-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oP12_47_e2ij_bc_hx:Co-Nd-Ni, expected Nd2Co7Ni5 to be Nd2(CoNi)5" +mp-1220568,Nd2CoNiO6,-7.7340948625,-2.5236067017,0.0,-0.0472153912,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-Nd-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_5e:Co-Nd-Ni-O, expected Nd2CoNiO10 to be Nd2CoNiO6" +mp-771907,Li4Mn5Sn3O16,-7.2332232496,-2.0681695756,0.0568987168,0.0568987168,GGA+U,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Mn-O-Sn, expected Li4Mn5Sn3O20 to be Li4Mn5Sn3O16" +mp-770554,Mn3Co3(SnO8)2,-7.2144393438,-1.5487242458,0.061480292,0.061480292,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Mn-O-Sn,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Mn-O-Sn, expected Mn3Co3(SnO10)2 to be Mn3Co3(SnO8)2" +mp-1275695,Li2Mn3SnO8,-7.4367526782,-2.0876831672,0.0186401504,0.0186401504,GGA+U,P-1,A2B3C8D_aP28_2_2i_bcefi_8i_i:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_aP28_2_3i_2bcdi_14i_i:Li-Mn-O-Sn, expected Li3Mn3SnO14 to be Li2Mn3SnO8" +mp-1282790,Li2Mn3SnO8,-7.4383936096,-2.0893240986,0.0169992189,0.0169992189,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_2i2j_b:Li-Mn-O-Sn, expected Li2Mn6SnO12 to be Li2Mn3SnO8" +mp-1290385,Li2Mn3SnO8,-7.4370197393,-2.0879502282,0.0183730893,0.0183730893,GGA+U,C2/c,A2B3C8D_mC56_15_f_abc_4f_e:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_mC56_15_f_2a2cd_10f_e:Li-Mn-O-Sn, expected Li2Mn5SnO20 to be Li2Mn3SnO8" +mp-1177993,Li2Mn3SnO8,-7.4325346491,-2.0834651381,0.0228581795,0.0228581795,GGA+U,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Li-Mn-O-Sn,56.0,"Invalid WP multiplicities - A2B3C8D_oP56_19_5a_9a_29a_a:Li-Mn-O-Sn, expected Li5Mn9SnO29 to be Li2Mn3SnO8" +mp-772578,Li2Mn3SnO8,-7.4517491118,-2.1026796007,0.0036437168,0.0036437168,GGA+U,Cmc2_1,A2B3C8D_oC56_36_2a_ab_4a2b_a:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_oC56_36_3a_a2b_6a6b_a:Li-Mn-O-Sn, expected Li3Mn5SnO18 to be Li2Mn3SnO8" +mp-756918,Li2Mn3SnO8,-7.406026865,-2.056957354,0.0493659636,0.0493659636,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-Sn,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Mn-O-Sn, expected Li2Mn3SnO10 to be Li2Mn3SnO8" +mp-774798,Li2Mn3SnO8,-7.4325906729,-2.0835211618,0.0228021557,0.0228021557,GGA+U,P4_32_12,A2B3C8D_tP56_96_b_ab_4b_a:Li-Mn-O-Sn,56.0,"Invalid WP multiplicities - A2B3C8D_tP56_96_b_2a3b_29b_a:Li-Mn-O-Sn, expected Li2Mn8SnO58 to be Li2Mn3SnO8" +mp-773330,Li2Mn3SnO8,-7.3573695507,-2.0083000397,0.0980232779,0.0980232779,GGA+U,R3m,A2B3C8D_hR42_160_2a_b_2a2b_a:Li-Mn-O-Sn,14.0,A2B3C8D_hR42_160_2a_b_2a2b_a:Li-Mn-O-Sn +mp-771545,Li4Mn5CoO12,-7.401831915,-1.9511796306,0.0859282494,0.0859282494,GGA+U,C2,AB4C5D12_mC44_5_a_2c_2a3b_6c:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_5_a_2c_2a3b_11c:Co-Li-Mn-O, expected Li4Mn5CoO22 to be Li4Mn5CoO12" +mp-885819,Li4Mn5CoO12,-7.3910771364,-1.940424852,0.096683028,0.096683028,GGA+U,C2/m,AB4C5D12_mC44_12_a_j_dgh_2i2j:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_12_a_j_cg2h_4i5j:Co-Li-Mn-O, expected Li4Mn7CoO28 to be Li4Mn5CoO12" +mp-861685,Li6Mn5CoO12,-7.1950631696,-2.0395550033,0.0530543528,0.0530543528,GGA+U,P-1,AB6C5D12_aP24_2_b_3i_c2i_6i:Co-Li-Mn-O,24.0,AB6C5D12_aP24_2_b_3i_c2i_6i:Co-Li-Mn-O +mp-861128,Li6Mn5CoO12,-7.1986469429,-2.0431387767,0.0494705795,0.0494705795,GGA+U,P-1,AB6C5D12_aP24_2_b_3i_d2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB6C5D12_aP24_2_b_6i_d4i_10i:Co-Li-Mn-O, expected Li12Mn9CoO20 to be Li6Mn5CoO12" +mp-1641416,Li6Mn5CoO12,-7.1932364104,-2.0377282442,0.054881112,0.054881112,GGA+U,P-1,AB6C5D12_aP48_2_bh_6i_cd4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB6C5D12_aP48_2_bh_9i_cd6i_18i:Co-Li-Mn-O, expected Li9Mn7CoO18 to be Li6Mn5CoO12" +mp-1666754,Li6Mn5CoO12,-7.1907380871,-2.0352299208,0.0573794353,0.0573794353,GGA+U,P-1,AB6C5D12_aP48_2_bc_6i_5i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB6C5D12_aP48_2_bc_9i_7i_18i:Co-Li-Mn-O, expected Li9Mn7CoO18 to be Li6Mn5CoO12" +mp-1177755,Li3Co2SnO6,-6.303882845,-1.8344571523,0.0765639925,0.0765639925,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Co-Li-O-Sn,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Co-Li-O-Sn, expected Li3Co2SnO10 to be Li3Co2SnO6" +mp-771140,Li5Mn5(SnO6)2,-7.2240953025,-2.1101745092,0.0225230262,0.0225230262,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Mn-O-Sn,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Mn-O-Sn, expected Li9Mn5(SnO6)2 to be Li5Mn5(SnO6)2" +mp-1176665,LiMn2CoO6,-7.469444963,-1.7673046117000002,0.0467037613,0.0467037613,GGA+U,C2/m,ABC2D6_mC20_12_a_c_i_3i:Co-Li-Mn-O,10.0,"Invalid WP multiplicities - ABC2D6_mC20_12_a_d_i_6i:Co-Li-Mn-O, expected LiMn2CoO12 to be LiMn2CoO6" +mp-757164,Li3Mn2(CoO4)2,-6.929427696,-1.7400313984,0.1691954216,0.1691954216,GGA+U,P1,A2B3C2D8_aP15_1_2a_3a_2a_8a:Co-Li-Mn-O,15.0,A2B3C2D8_aP15_1_2a_3a_2a_8a:Co-Li-Mn-O +mp-778583,Li3Mn2(CoO4)2,-6.7077567693,-1.5183604717,0.3908663483,0.3908663483,GGA+U,P-1,A2B3C2D8_aP15_2_bc_dfg_ae_4i:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_bc_dfg_ae_7i:Co-Li-Mn-O, expected Li3Mn2(CoO7)2 to be Li3Mn2(CoO4)2" +mp-779153,Li3Mn2(CoO4)2,-6.9927006447,-1.8033043471,0.105922473,0.105922473,GGA+U,P-1,A2B3C2D8_aP15_2_ab_cfg_de_4i:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_ab_cfg_de_7i:Co-Li-Mn-O, expected Li3Mn2(CoO7)2 to be Li3Mn2(CoO4)2" +mp-1444506,Li3Mn2(CoO4)2,-4.3958439067,0.7935523909000001,2.702779211,2.702779211,GGA+U,P-1,A2B3C2D8_aP15_2_ab_efg_cd_4i:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_ab_efg_cd_7i:Co-Li-Mn-O, expected Li3Mn2(CoO7)2 to be Li3Mn2(CoO4)2" +mp-757112,Li5Co3(SnO5)2,-6.295212219,-1.877432292,0.065278952,0.065278952,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Co-Li-O-Sn,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Co-Li-O-Sn, expected Li9Co3(SnO9)2 to be Li5Co3(SnO5)2" +mp-803661,Li5Co3(SnO5)2,-3.4225310115,0.9952489155,2.9379601595,2.9379601595,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Co-Li-O-Sn,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Co-Li-O-Sn, expected Li9Co3(SnO9)2 to be Li5Co3(SnO5)2" +mp-1366770,Li5Co3(SnO5)2,-4.840014081,-0.422234154,1.52047709,1.52047709,GGA+U,P-1,A3B5C10D2_aP20_2_bi_c2i_5i_i:Co-Li-O-Sn,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_c4i_9i_i:Co-Li-O-Sn, expected Li9Co3(SnO9)2 to be Li5Co3(SnO5)2" +mp-778482,Li4Mn2Co3O10,-6.9168422174,-1.8246547148,0.0515918586,0.0515918586,GGA+U,P-1,A3B4C2D10_aP38_2_bd2i_4i_2i_10i:Co-Li-Mn-O,38.0,"Invalid WP multiplicities - A3B4C2D10_aP38_2_bd2i_6i_2i_16i:Co-Li-Mn-O, expected Li6Mn2Co3O16 to be Li4Mn2Co3O10" +mp-768354,Li4Mn5Co3O16,-7.3433710625,-1.8463088949,0.0390486447,0.0390486447,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Co-Li-Mn-O, expected Li4Mn5Co3O20 to be Li4Mn5Co3O16" +mp-753188,Li5Mn2Co5O12,-6.4900706638,-1.3746332293,0.4361752358,0.4361752358,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_12c:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li5Mn2Co5O12" +mp-1174700,Li7Mn2(CoO4)3,-6.56652128,-1.8843667562,0.0822930067,0.0822930067,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174708,Li7Mn2(CoO4)3,-6.5542925867,-1.8721380629,0.0945217,0.0945217,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174781,Li7Mn2(CoO4)3,-6.5119454354,-1.8297909116,0.1368688513,0.1368688513,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174884,Li7Mn2(CoO4)3,-6.56992195,-1.8877674262,0.0788923367,0.0788923367,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174918,Li7Mn2(CoO4)3,-6.5742830017,-1.8921284779,0.074531285,0.074531285,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174919,Li7Mn2(CoO4)3,-6.5841929096000005,-1.9020383858,0.0646213771,0.0646213771,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174920,Li7Mn2(CoO4)3,-6.5852445279000005,-1.9030900041,0.0635697587,0.0635697587,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174921,Li7Mn2(CoO4)3,-6.5853816329,-1.9032271091,0.0634326537,0.0634326537,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174922,Li7Mn2(CoO4)3,-6.5690175046,-1.8868629808,0.0797967821,0.0797967821,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174923,Li7Mn2(CoO4)3,-6.58406779,-1.9019132662,0.0647464967,0.0647464967,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174924,Li7Mn2(CoO4)3,-6.5758477433,-1.8936932195,0.0729665433,0.0729665433,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174925,Li7Mn2(CoO4)3,-6.5837202658,-1.901565742,0.0650940208,0.0650940208,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174927,Li7Mn2(CoO4)3,-6.5706432788,-1.888488755,0.0781710079,0.0781710079,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174928,Li7Mn2(CoO4)3,-6.5722818071,-1.8901272833,0.0765324796,0.0765324796,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174929,Li7Mn2(CoO4)3,-6.5714465417,-1.8892920179,0.077367745,0.077367745,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174930,Li7Mn2(CoO4)3,-6.5701607454,-1.8880062216,0.0786535412,0.0786535412,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174932,Li7Mn2(CoO4)3,-6.5816025783,-1.8994480545,0.0672117083,0.0672117083,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174933,Li7Mn2(CoO4)3,-6.5736833371,-1.8915288133,0.0751309496,0.0751309496,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174934,Li7Mn2(CoO4)3,-6.5668788392,-1.8847243154,0.0819354475,0.0819354475,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174935,Li7Mn2(CoO4)3,-6.5858098492,-1.9036553254,0.0630044375,0.0630044375,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174936,Li7Mn2(CoO4)3,-6.5194296429000005,-1.8372751191,0.1293846438,0.1293846438,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174937,Li7Mn2(CoO4)3,-6.5909175946000005,-1.9087630708,0.0578966921,0.0578966921,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174938,Li7Mn2(CoO4)3,-6.5500788542,-1.8679243304,0.0987354325,0.0987354325,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174939,Li7Mn2(CoO4)3,-6.57893693,-1.8967824062,0.0698773567,0.0698773567,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174940,Li7Mn2(CoO4)3,-6.5694668013,-1.8873122775,0.0793474854,0.0793474854,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174943,Li7Mn2(CoO4)3,-6.5937825629,-1.9116280391,0.0550317238,0.0550317238,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174949,Li7Mn2(CoO4)3,-6.576199095,-1.8940445712,0.0726151917,0.0726151917,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174951,Li7Mn2(CoO4)3,-6.5755075154,-1.8933529916,0.0733067713,0.0733067713,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174953,Li7Mn2(CoO4)3,-6.5753267896,-1.8931722658,0.0734874971,0.0734874971,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174955,Li7Mn2(CoO4)3,-6.5849171404,-1.9027626166,0.0638971463,0.0638971463,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174956,Li7Mn2(CoO4)3,-6.5767659296000005,-1.8946114058,0.0720483571,0.0720483571,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174963,Li7Mn2(CoO4)3,-6.5626829933,-1.8805284695,0.0861312933,0.0861312933,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174964,Li7Mn2(CoO4)3,-6.5553005546000005,-1.8731460308,0.0935137321,0.0935137321,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174972,Li7Mn2(CoO4)3,-6.5731425771000005,-1.8909880533,0.0756717096,0.0756717096,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174973,Li7Mn2(CoO4)3,-6.5821388446,-1.8999843208,0.0666754421,0.0666754421,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174988,Li7Mn2(CoO4)3,-6.5743335258,-1.892179002,0.0744807608,0.0744807608,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174992,Li7Mn2(CoO4)3,-6.5581924783000005,-1.8760379545,0.0906218083,0.0906218083,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174997,Li7Mn2(CoO4)3,-6.5705427546,-1.8883882308,0.0782715321,0.0782715321,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174999,Li7Mn2(CoO4)3,-6.4675579908,-1.785403467,0.1812562958,0.1812562958,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175016,Li7Mn2(CoO4)3,-6.5422597646,-1.8601052408,0.1065545221,0.1065545221,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175025,Li7Mn2(CoO4)3,-6.5789001563,-1.8967456325,0.0699141304,0.0699141304,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_3_a2c_a3b3d_ac_12e:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1175029,Li7Mn2(CoO4)3,-6.5416880667,-1.8595335429,0.10712622,0.10712622,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175032,Li7Mn2(CoO4)3,-6.5384652612,-1.8563107375,0.1103490254,0.1103490254,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175033,Li7Mn2(CoO4)3,-6.5426230033,-1.8604684795,0.1061912833,0.1061912833,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175034,Li7Mn2(CoO4)3,-6.5832402288,-1.901085705,0.0655740579,0.0655740579,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175036,Li7Mn2(CoO4)3,-6.5413439083,-1.8591893845,0.1074703783,0.1074703783,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175038,Li7Mn2(CoO4)3,-6.5411385004,-1.8589839766,0.1076757862,0.1076757862,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175039,Li7Mn2(CoO4)3,-6.5408146246,-1.8586601008,0.1079996621,0.1079996621,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175042,Li7Mn2(CoO4)3,-6.5132580033,-1.8311034795,0.1355562833,0.1355562833,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175043,Li7Mn2(CoO4)3,-6.5387980675,-1.8566435437,0.1100162192,0.1100162192,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175044,Li7Mn2(CoO4)3,-6.5163784233,-1.8342238995,0.1324358633,0.1324358633,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175045,Li7Mn2(CoO4)3,-6.5392560663,-1.8571015425,0.1095582204,0.1095582204,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175046,Li7Mn2(CoO4)3,-6.5385127725,-1.8563582487,0.1103015142,0.1103015142,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175047,Li7Mn2(CoO4)3,-6.5185135617,-1.8363590379,0.130300725,0.130300725,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175048,Li7Mn2(CoO4)3,-6.5418024475,-1.8596479237,0.1070118392,0.1070118392,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175049,Li7Mn2(CoO4)3,-6.5419932525,-1.8598387287,0.1068210342,0.1068210342,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175050,Li7Mn2(CoO4)3,-6.5307701229,-1.8486155991,0.1180441638,0.1180441638,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175052,Li7Mn2(CoO4)3,-6.5162828833,-1.8341283595,0.1325314033,0.1325314033,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175053,Li7Mn2(CoO4)3,-6.5357014604,-1.8535469366,0.1131128263,0.1131128263,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175054,Li7Mn2(CoO4)3,-6.5345355079,-1.8523809841,0.1142787788,0.1142787788,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175056,Li7Mn2(CoO4)3,-6.5445603137,-1.86240579,0.1042539729,0.1042539729,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175057,Li7Mn2(CoO4)3,-6.3470425038,-1.66488798,0.3017717829,0.3017717829,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175058,Li7Mn2(CoO4)3,-6.5409604954,-1.8588059716,0.1078537913,0.1078537913,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175059,Li7Mn2(CoO4)3,-6.5377835279,-1.8556290041,0.1110307588,0.1110307588,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175060,Li7Mn2(CoO4)3,-6.5535321442,-1.8713776204,0.0952821425,0.0952821425,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175061,Li7Mn2(CoO4)3,-6.5282731204,-1.8461185966,0.1205411663,0.1205411663,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175062,Li7Mn2(CoO4)3,-6.5172346888,-1.835080165,0.1315795979,0.1315795979,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175063,Li7Mn2(CoO4)3,-6.5646796704,-1.8825251466,0.0841346163,0.0841346163,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175064,Li7Mn2(CoO4)3,-6.5434867087,-1.861332185,0.1053275779,0.1053275779,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175065,Li7Mn2(CoO4)3,-6.5053052429000005,-1.8231507191,0.1435090438,0.1435090438,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175066,Li7Mn2(CoO4)3,-6.5134423796,-1.8312878558,0.1353719071,0.1353719071,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175067,Li7Mn2(CoO4)3,-6.5100248546,-1.8278703308,0.1387894321,0.1387894321,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175068,Li7Mn2(CoO4)3,-6.5240435129000005,-1.8418889891,0.1247707738,0.1247707738,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175069,Li7Mn2(CoO4)3,-6.5414416821,-1.8592871583,0.1073726046,0.1073726046,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175075,Li7Mn2(CoO4)3,-6.5156768846,-1.8335223608,0.1331374021,0.1331374021,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175076,Li7Mn2(CoO4)3,-6.5169780229,-1.8348234991,0.1318362638,0.1318362638,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175078,Li7Mn2(CoO4)3,-6.5560277567,-1.8738732329,0.09278653,0.09278653,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175079,Li7Mn2(CoO4)3,-6.5253722158,-1.843217692,0.1234420708,0.1234420708,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175080,Li7Mn2(CoO4)3,-6.544980015,-1.8628254912,0.1038342717,0.1038342717,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175082,Li7Mn2(CoO4)3,-6.5035256904,-1.8213711666,0.1452885963,0.1452885963,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175083,Li7Mn2(CoO4)3,-6.5229347058,-1.840780182,0.1258795808,0.1258795808,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175085,Li7Mn2(CoO4)3,-6.5415209717,-1.8593664479,0.107293315,0.107293315,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175086,Li7Mn2(CoO4)3,-6.5333076783,-1.8511531545,0.1155066083,0.1155066083,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175088,Li7Mn2(CoO4)3,-6.5523401654,-1.8701856416,0.0964741213,0.0964741213,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175094,Li7Mn2(CoO4)3,-6.5113435625000005,-1.8291890387,0.1374707242,0.1374707242,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175095,Li7Mn2(CoO4)3,-6.5480332037,-1.86587868,0.1007810829,0.1007810829,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1345097,Li7Mn2(CoO4)3,-6.0435759396,-1.3614214158,0.6052383471,0.6052383471,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1648338,Li7Mn2(CoO4)3,-6.5351711717,-1.8530166479,0.113643115,0.113643115,GGA+U,P1,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_aP24_1_3a_7a_2a_12a:Co-Li-Mn-O +mp-1649779,Li7Mn2(CoO4)3,-6.5780602604,-1.8959057366,0.0707540263,0.0707540263,GGA+U,P1,A3B7C2D12_aP48_1_6a_14a_4a_24a:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_aP48_2_6i_bd10i_4i_20i:Co-Li-Mn-O, expected Li11Mn4(Co3O10)2 to be Li7Mn2(CoO4)3" +mp-1979362,Li7Mn2(CoO4)3,-6.5506865935,-1.8685320698,0.0981276931,0.0981276931,GGA+U,P1,A3B7C2D12_aP48_1_6a_14a_4a_24a:Co-Li-Mn-O,48.0,A3B7C2D12_aP48_1_6a_14a_4a_24a:Co-Li-Mn-O +mp-1174506,Li7Mn2(CoO4)3,-6.5915805975,-1.9094260737,0.0572336892,0.0572336892,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_cfh3i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174511,Li7Mn2(CoO4)3,-6.5712590729,-1.8891045491,0.0775552138,0.0775552138,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cde2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_cde4i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174512,Li7Mn2(CoO4)3,-6.5715017663,-1.8893472425,0.0773125204,0.0773125204,GGA+U,P-1,A3B7C2D12_aP24_2_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_c6i_i_12i:Co-Li-Mn-O, expected Li13Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174514,Li7Mn2(CoO4)3,-6.5691272333,-1.8869727095,0.0796870533,0.0796870533,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cde2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_cde4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174516,Li7Mn2(CoO4)3,-6.58289734,-1.9007428162,0.0659169467,0.0659169467,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cde2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_cde4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174523,Li7Mn2(CoO4)3,-6.5741653925,-1.8920108687,0.0746488942,0.0746488942,GGA+U,P-1,A3B7C2D12_aP24_2_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174528,Li7Mn2(CoO4)3,-6.5758229865,-1.8936684627,0.0729913002,0.0729913002,GGA+U,P-1,A3B7C2D12_aP24_2_ai_d3i_i_6i:Co-Li-Mn-O,48.0,A3B7C2D12_aP24_2_ai_d3i_i_6i:Co-Li-Mn-O +mp-1174530,Li7Mn2(CoO4)3,-6.5750404596,-1.8928859358,0.0737738271,0.0737738271,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cde2i_i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_2a2i_cde2i_i_6i:Co-Li-Mn-O, expected Li7Mn2(CoO2)6 to be Li7Mn2(CoO4)3" +mp-1174533,Li7Mn2(CoO4)3,-6.5700009517,-1.8878464279,0.078813335,0.078813335,GGA+U,P-1,A3B7C2D12_aP24_2_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_c5i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174535,Li7Mn2(CoO4)3,-6.587074175,-1.9049196512,0.0617401117,0.0617401117,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_cfh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174539,Li7Mn2(CoO4)3,-6.5816789438,-1.89952442,0.0671353429,0.0671353429,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_cfh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174543,Li7Mn2(CoO4)3,-6.5739032238,-1.8917487,0.0749110629,0.0749110629,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_b2i_e6i_i_12i:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174545,Li7Mn2(CoO4)3,-6.5870372596,-1.9048827358,0.0617770271,0.0617770271,GGA+U,P-1,A3B7C2D12_aP24_2_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_c4i_i_11i:Co-Li-Mn-O, expected Li9Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-1174555,Li7Mn2(CoO4)3,-6.5745070567,-1.8923525329,0.07430723,0.07430723,GGA+U,P-1,A3B7C2D12_aP24_2_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_c6i_i_12i:Co-Li-Mn-O, expected Li13Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174569,Li7Mn2(CoO4)3,-6.5799166837000005,-1.89776216,0.0688976029,0.0688976029,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_cfh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174576,Li7Mn2(CoO4)3,-6.5786197971,-1.8964652733,0.0701944896,0.0701944896,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_e5i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174622,Li7Mn2(CoO4)3,-6.5937494962,-1.9115949725,0.0550647904,0.0550647904,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_e4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174656,Li7Mn2(CoO4)3,-6.5709148204,-1.8887602966,0.0778994662,0.0778994662,GGA+U,P-1,A3B7C2D12_aP24_2_bi_cdh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_b2i_cdh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174838,Li7Mn2(CoO4)3,-6.5575179062,-1.8753633825,0.0912963804,0.0912963804,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_2ai_cfh2i_i_6i:Co-Li-Mn-O, expected Li7Mn2(CoO3)4 to be Li7Mn2(CoO4)3" +mp-1174851,Li7Mn2(CoO4)3,-6.3839272129,-1.7017726891,0.2648870738,0.2648870738,GGA+U,P-1,A3B7C2D12_aP24_2_bi_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_b2i_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174854,Li7Mn2(CoO4)3,-6.5737091621,-1.8915546383,0.0751051246,0.0751051246,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_b5i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1174855,Li7Mn2(CoO4)3,-6.5825505742,-1.9003960504,0.0662637125,0.0662637125,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_e5i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1174860,Li7Mn2(CoO4)3,-6.5108304896,-1.8286759658,0.1379837971,0.1379837971,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_cfh3i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174863,Li7Mn2(CoO4)3,-6.5809890342,-1.8988345104,0.0678252525,0.0678252525,GGA+U,P-1,A3B7C2D12_aP24_2_bi_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174864,Li7Mn2(CoO4)3,-6.5816973921,-1.8995428683,0.0671168946,0.0671168946,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_d4i_i_11i:Co-Li-Mn-O, expected Li9Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1174865,Li7Mn2(CoO4)3,-6.5125162771,-1.8303617533,0.1362980096,0.1362980096,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_b5i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174867,Li7Mn2(CoO4)3,-6.5116548483,-1.8295003245,0.1371594383,0.1371594383,GGA+U,P-1,A3B7C2D12_aP24_2_ai_beh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_beh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174868,Li7Mn2(CoO4)3,-6.5660019688,-1.883847445,0.0828123179,0.0828123179,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_e4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174869,Li7Mn2(CoO4)3,-6.5762128779,-1.8940583541,0.0726014088,0.0726014088,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,48.0,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O +mp-1174871,Li7Mn2(CoO4)3,-6.5714467421,-1.8892922183,0.0773675446,0.0773675446,GGA+U,P-1,A3B7C2D12_aP24_2_ai_beh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_beh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174872,Li7Mn2(CoO4)3,-6.4794779083,-1.7973233845,0.1693363783,0.1693363783,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_cfh4i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-1174875,Li7Mn2(CoO4)3,-6.51664927,-1.8344947462,0.1321650167,0.1321650167,GGA+U,P-1,A3B7C2D12_aP24_2_bi_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_b2i_e5i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-1174876,Li7Mn2(CoO4)3,-6.5108562133,-1.8287016895,0.1379580733,0.1379580733,GGA+U,P-1,A3B7C2D12_aP24_2_ai_beh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_beh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174877,Li7Mn2(CoO4)3,-6.5219395125,-1.8397849887,0.1268747742,0.1268747742,GGA+U,P-1,A3B7C2D12_aP24_2_ai_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_e6i_i_12i:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174878,Li7Mn2(CoO4)3,-6.5181438792,-1.8359893554,0.1306704075,0.1306704075,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_a2i_b4i_i_11i:Co-Li-Mn-O, expected Li9Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-1174880,Li7Mn2(CoO4)3,-6.5161276321,-1.8339731083,0.1326866546,0.1326866546,GGA+U,P-1,A3B7C2D12_aP24_2_bi_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174886,Li7Mn2(CoO4)3,-6.5815715571,-1.8994170333,0.0672427296,0.0672427296,GGA+U,P-1,A3B7C2D12_aP24_2_bi_cdh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_cdh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174888,Li7Mn2(CoO4)3,-6.4553624846,-1.7732079608,0.1934518021,0.1934518021,GGA+U,P-1,A3B7C2D12_aP24_2_ai_e3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_c6i_i_12i:Co-Li-Mn-O, expected Li13Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174890,Li7Mn2(CoO4)3,-6.5149090317,-1.8327545079,0.133905255,0.133905255,GGA+U,P-1,A3B7C2D12_aP24_2_bi_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_bi_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174895,Li7Mn2(CoO4)3,-6.5183129662,-1.8361584425,0.1305013204,0.1305013204,GGA+U,P-1,A3B7C2D12_aP24_2_ai_b3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_b5i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1174905,Li7Mn2(CoO4)3,-6.5113015758,-1.829147052,0.1375127108,0.1375127108,GGA+U,P-1,A3B7C2D12_aP24_2_ai_cfh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_cfh4i_i_11i:Co-Li-Mn-O, expected Li11Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1174908,Li7Mn2(CoO4)3,-6.5290852242,-1.8469307004,0.1197290625,0.1197290625,GGA+U,P-1,A3B7C2D12_aP24_2_bi_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_b2i_c6i_i_12i:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174913,Li7Mn2(CoO4)3,-6.4832521279,-1.8010976041000002,0.1655621588,0.1655621588,GGA+U,P-1,A3B7C2D12_aP24_2_ai_beh2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_aP24_2_ai_beh4i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1978268,Li7Mn2(CoO4)3,-6.5509240248000005,-1.868769501,0.0978902619,0.0978902619,GGA+U,P-1,A3B7C2D12_aP48_2_af2i_ch6i_2i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_aP48_2_af2i_ch10i_4i_22i:Co-Li-Mn-O, expected Li11Mn4Co3O22 to be Li7Mn2(CoO4)3" +mp-1175072,Li7Mn2(CoO4)3,-6.5899058013000005,-1.9077512775,0.0589084854,0.0589084854,GGA+U,P2,A3B7C2D12_mP24_3_a2c_a3b3d_ac_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_3_a2c_a3b3d_ac_12e:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1175073,Li7Mn2(CoO4)3,-6.5696879092,-1.8875333854,0.0791263775,0.0791263775,GGA+U,P2,A3B7C2D12_mP24_3_a2c_a3b3d_ac_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_3_a2c_a3b3d_ac_12e:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1175081,Li7Mn2(CoO4)3,-6.5886744629,-1.9065199391,0.0601398238,0.0601398238,GGA+U,P2,A3B7C2D12_mP24_3_2ac_a3b3d_2c_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_3_2ac_a3b3d_2c_12e:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1175089,Li7Mn2(CoO4)3,-6.5704819321,-1.8883274083,0.0783323546,0.0783323546,GGA+U,P2,A3B7C2D12_mP24_3_a2c_a3b3d_ac_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_3_a2c_a3b3d_ac_12e:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174887,Li7Mn2(CoO4)3,-6.598680545,-1.9165260212,0.0501337417,0.0501337417,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a4c_ab_12c:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174906,Li7Mn2(CoO4)3,-6.5872943233,-1.9051397995,0.0615199633,0.0615199633,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a5c_ab_12c:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174907,Li7Mn2(CoO4)3,-6.5467198421,-1.8645653183,0.1020944446,0.1020944446,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a5c_ab_12c:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174910,Li7Mn2(CoO4)3,-6.5505262479,-1.8683717241,0.0982880387,0.0982880387,GGA+U,C2,A3B7C2D12_mC48_5_2ab_a3c_2b_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_2ab_a3c_2b_12c:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174912,Li7Mn2(CoO4)3,-6.5937316771,-1.9115771533,0.0550826096,0.0550826096,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a5c_ab_12c:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174931,Li7Mn2(CoO4)3,-6.4098365292,-1.7276820054000002,0.2389777575,0.2389777575,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a6c_ab_12c:Co-Li-Mn-O, expected Li13Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174985,Li7Mn2(CoO4)3,-6.5675340271,-1.8853795033,0.0812802596,0.0812802596,GGA+U,C2,A3B7C2D12_mC48_5_a2b_a3c_ab_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_a2b_a4c_ab_12c:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1639121,Li7Mn2(CoO4)3,-6.5408895738,-1.85873505,0.1079247129,0.1079247129,GGA+U,C2,A3B7C2D12_mC48_5_2ab_a3c_2b_6c:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_mC48_5_2ab_a3c_3b_10c:Co-Li-Mn-O, expected Li7Mn3Co3O20 to be Li7Mn2(CoO4)3" +mp-1979194,Li7Mn2(CoO4)3,-6.5315398133,-1.8493852895,0.1172744733,0.1172744733,GGA+U,C2,A3B7C2D12_mC96_5_ab2c_7c_2a2b_12c:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_mC96_5_ab2c_10c_2a2b_22c:Co-Li-Mn-O, expected Li10Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1175004,Li7Mn2(CoO4)3,-6.5451705246,-1.8630160008,0.1036437621,0.1036437621,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175101,Li7Mn2(CoO4)3,-6.5483927783,-1.8662382545,0.1004215083,0.1004215083,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175105,Li7Mn2(CoO4)3,-6.5315626629,-1.8494081391,0.1172516238,0.1172516238,GGA+U,Pm,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O +mp-1175106,Li7Mn2(CoO4)3,-6.4778527392,-1.7956982154,0.1709615475,0.1709615475,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175107,Li7Mn2(CoO4)3,-6.5508875538,-1.86873303,0.0979267329,0.0979267329,GGA+U,Pm,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O +mp-1175108,Li7Mn2(CoO4)3,-6.5454498479000005,-1.8632953241,0.1033644387,0.1033644387,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175110,Li7Mn2(CoO4)3,-6.5518555633,-1.8697010395,0.0969587233,0.0969587233,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175116,Li7Mn2(CoO4)3,-6.5371604175,-1.8550058937,0.1116538692,0.1116538692,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175124,Li7Mn2(CoO4)3,-6.5126032404,-1.8304487166,0.1362110463,0.1362110463,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175128,Li7Mn2(CoO4)3,-6.3497600446,-1.6676055208,0.2990542421,0.2990542421,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175136,Li7Mn2(CoO4)3,-6.5408467346,-1.8586922108,0.1079675521,0.1079675521,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175140,Li7Mn2(CoO4)3,-6.5374204829,-1.8552659591,0.1113938038,0.1113938038,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175146,Li7Mn2(CoO4)3,-6.5396329975,-1.8574784737,0.1091812892,0.1091812892,GGA+U,Pm,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O +mp-1175147,Li7Mn2(CoO4)3,-6.3988376304,-1.7166831066,0.2499766563,0.2499766563,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1175157,Li7Mn2(CoO4)3,-6.5110176987,-1.828863175,0.1377965879,0.1377965879,GGA+U,Pm,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_a2b_3a4b_2a_6a6b:Co-Li-Mn-O +mp-1175179,Li7Mn2(CoO4)3,-6.5251587004000005,-1.8430041766,0.1236555862,0.1236555862,GGA+U,Pm,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O,24.0,A3B7C2D12_mP24_6_2ab_3a4b_ab_6a6b:Co-Li-Mn-O +mp-1174986,Li7Mn2(CoO4)3,-6.5161685208,-1.834013997,0.1326457658,0.1326457658,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175006,Li7Mn2(CoO4)3,-6.5174844508,-1.835329927,0.1313298358,0.1313298358,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175008,Li7Mn2(CoO4)3,-6.5315586833,-1.8494041595,0.1172556033,0.1172556033,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175014,Li7Mn2(CoO4)3,-6.5086131642,-1.8264586404,0.1402011225,0.1402011225,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175015,Li7Mn2(CoO4)3,-6.5476597863,-1.8655052625,0.1011545004,0.1011545004,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175024,Li7Mn2(CoO4)3,-6.5405852496,-1.8584307258,0.1082290371,0.1082290371,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175051,Li7Mn2(CoO4)3,-6.4440285767,-1.7618740529,0.20478571,0.20478571,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175071,Li7Mn2(CoO4)3,-6.4498425075,-1.7676879837,0.1989717792,0.1989717792,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175084,Li7Mn2(CoO4)3,-6.4517939546,-1.7696394308,0.1970203321,0.1970203321,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175090,Li7Mn2(CoO4)3,-6.5422218408,-1.860067317,0.1065924458,0.1065924458,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175091,Li7Mn2(CoO4)3,-6.5264146833,-1.8442601595,0.1223996033,0.1223996033,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175092,Li7Mn2(CoO4)3,-6.4272715413,-1.7451170175,0.2215427454,0.2215427454,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175093,Li7Mn2(CoO4)3,-6.54610107,-1.8639465462,0.1027132167,0.1027132167,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175096,Li7Mn2(CoO4)3,-6.5492777525,-1.8671232287,0.0995365342,0.0995365342,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175098,Li7Mn2(CoO4)3,-6.5393224442,-1.8571679204,0.1094918425,0.1094918425,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175099,Li7Mn2(CoO4)3,-6.5251264067,-1.8429718829,0.12368788,0.12368788,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175100,Li7Mn2(CoO4)3,-6.5420122912,-1.8598577675,0.1068019954,0.1068019954,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175102,Li7Mn2(CoO4)3,-6.5465513533,-1.8643968295,0.1022629333,0.1022629333,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175103,Li7Mn2(CoO4)3,-6.5392213621,-1.8570668383,0.1095929246,0.1095929246,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175104,Li7Mn2(CoO4)3,-6.5268892912,-1.8447347675,0.1219249954,0.1219249954,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175111,Li7Mn2(CoO4)3,-6.5416737246,-1.8595192008,0.1071405621,0.1071405621,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175114,Li7Mn2(CoO4)3,-6.54410203,-1.8619475062,0.1047122567,0.1047122567,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175120,Li7Mn2(CoO4)3,-6.4224678033,-1.7403132795,0.2263464833,0.2263464833,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175126,Li7Mn2(CoO4)3,-6.5267902129,-1.8446356891,0.1220240738,0.1220240738,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175129,Li7Mn2(CoO4)3,-6.5264414504,-1.8442869266,0.1223728363,0.1223728363,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175134,Li7Mn2(CoO4)3,-6.5093591146000005,-1.8272045908,0.1394551721,0.1394551721,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175151,Li7Mn2(CoO4)3,-6.5300136283,-1.8478591045,0.1188006583,0.1188006583,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175152,Li7Mn2(CoO4)3,-6.5340778192,-1.8519232954,0.1147364675,0.1147364675,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175165,Li7Mn2(CoO4)3,-6.4629965054,-1.7808419816,0.1858177813,0.1858177813,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175166,Li7Mn2(CoO4)3,-6.4473721112,-1.7652175875,0.2014421754,0.2014421754,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175188,Li7Mn2(CoO4)3,-6.5251435817,-1.8429890579,0.123670705,0.123670705,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1175220,Li7Mn2(CoO4)3,-6.5044000129,-1.8222454891,0.1444142738,0.1444142738,GGA+U,Cm,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O,24.0,A3B7C2D12_mC48_8_3a_7a_2a_12a:Co-Li-Mn-O +mp-1174866,Li7Mn2(CoO4)3,-6.5097339492,-1.8275794254,0.1390803375,0.1390803375,GGA+U,P2/m,A3B7C2D12_mP24_10_an_cehmn_m_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_a2n_ceh2m2n_m_6m5n:Co-Li-Mn-O, expected Li11Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-1174874,Li7Mn2(CoO4)3,-6.5940112158,-1.911856692,0.0548030708,0.0548030708,GGA+U,P2/m,A3B7C2D12_mP24_10_bj_cdhkl_i_mn2o:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_a2j_ceh2k2l_i_2m2n8o:Co-Li-Mn-O, expected Li11Mn2(CoO8)5 to be Li7Mn2(CoO4)3" +mp-1174881,Li7Mn2(CoO4)3,-6.5834260104,-1.9012714866,0.0653882763,0.0653882763,GGA+U,P2/m,A3B7C2D12_mP24_10_bm_cegmn_n_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_b2m_cdh2m2n_n_6m6n:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174891,Li7Mn2(CoO4)3,-6.5880459946,-1.9058914708,0.0607682921,0.0607682921,GGA+U,P2/m,A3B7C2D12_mP24_10_bi_cdhkl_j_mn2o:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_ai_ceh2k2l_j_2m2n8o:Co-Li-Mn-O, expected Li11Mn2Co3O40 to be Li7Mn2(CoO4)3" +mp-1174892,Li7Mn2(CoO4)3,-6.5211889188,-1.839034395,0.1276253679,0.1276253679,GGA+U,P2/m,A3B7C2D12_mP24_10_am_cehmn_n_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_a2m_cehmn_n_6m6n:Co-Li-Mn-O, expected Li7Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174900,Li7Mn2(CoO4)3,-6.4788114554,-1.7966569316,0.1700028312,0.1700028312,GGA+U,P2/m,A3B7C2D12_mP24_10_an_cehmn_m_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_an_cehmn_m_6m6n:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174903,Li7Mn2(CoO4)3,-6.5863298608,-1.904175337,0.0624844258,0.0624844258,GGA+U,P2/m,A3B7C2D12_mP24_10_bm_cegmn_n_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_bm_cdhmn_n_6m6n:Co-Li-Mn-O, expected Li7Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174914,Li7Mn2(CoO4)3,-6.5049431742,-1.8227886504,0.1438711125,0.1438711125,GGA+U,P2/m,A3B7C2D12_mP24_10_bn_cegmn_m_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_b2n_cdhmn_m_6m6n:Co-Li-Mn-O, expected Li7Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174917,Li7Mn2(CoO4)3,-6.5106178379,-1.8284633141,0.1381964488,0.1381964488,GGA+U,P2/m,A3B7C2D12_mP24_10_am_cehmn_n_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mP24_10_am_ceh2m2n_n_6m6n:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174467,Li7Mn2(CoO4)3,-6.6162138629000005,-1.9340593391,0.0326004238,0.0326004238,GGA+U,C2/m,A3B7C2D12_mC48_12_ag_dij_h_2i2j:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ag_c2i3j_h_4i7j:Co-Li-Mn-O, expected Li17Mn2(CoO12)3 to be Li7Mn2(CoO4)3" +mp-1174483,Li7Mn2(CoO4)3,-6.3573284304,-1.6751739066,0.2914858562,0.2914858562,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174485,Li7Mn2(CoO4)3,-6.5848778746,-1.9027233508,0.0639364121,0.0639364121,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174493,Li7Mn2(CoO4)3,-6.5873223592,-1.9051678354,0.0614919275,0.0614919275,GGA+U,C2/m,A3B7C2D12_mC48_12_ag_dij_h_2i2j:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2g_d2i3j_h_4i7j:Co-Li-Mn-O, expected Li17Mn2Co5O36 to be Li7Mn2(CoO4)3" +mp-1174495,Li7Mn2(CoO4)3,-6.5829709871,-1.9008164633,0.0658432996,0.0658432996,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174500,Li7Mn2(CoO4)3,-6.5359868671,-1.8538323433,0.1128274196,0.1128274196,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_c6i_i_12i:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174501,Li7Mn2(CoO4)3,-6.5815042738,-1.89934975,0.0673100129,0.0673100129,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174502,Li7Mn2(CoO4)3,-6.5003732471,-1.8182187233,0.1484410396,0.1484410396,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_d5i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174505,Li7Mn2(CoO4)3,-6.6009309967,-1.9187764729,0.04788329,0.04788329,GGA+U,C2/m,A3B7C2D12_mC48_12_ah_dij_g_2i2j:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ah_d2i3j_g_4i7j:Co-Li-Mn-O, expected Li17Mn2(CoO12)3 to be Li7Mn2(CoO4)3" +mp-1174508,Li7Mn2(CoO4)3,-6.5495511392,-1.8673966154,0.0992631475,0.0992631475,GGA+U,C2/m,A3B7C2D12_mC48_12_ah_dij_g_2i2j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2h_dij_g_2i2j:Co-Li-Mn-O, expected Li7Mn2Co5O12 to be Li7Mn2(CoO4)3" +mp-1174509,Li7Mn2(CoO4)3,-6.3612829917,-1.6791284679,0.287531295,0.287531295,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_c5i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174510,Li7Mn2(CoO4)3,-6.4942878883,-1.8121333645,0.1545263983,0.1545263983,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174515,Li7Mn2(CoO4)3,-6.5891570217,-1.9070024979,0.059657265,0.059657265,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174525,Li7Mn2(CoO4)3,-6.5070873663,-1.8249328425,0.1417269204,0.1417269204,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174526,Li7Mn2(CoO4)3,-6.5084680296,-1.8263135058,0.1403462571,0.1403462571,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_c4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174527,Li7Mn2(CoO4)3,-6.4929818029,-1.8108272791,0.1558324838,0.1558324838,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_d3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_c5i_i_12i:Co-Li-Mn-O, expected Li11Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174551,Li7Mn2(CoO4)3,-6.4974586187,-1.815304095,0.1513556679,0.1513556679,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_d5i_i_12i:Co-Li-Mn-O, expected Li11Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174571,Li7Mn2(CoO4)3,-6.4398708396,-1.7577163158,0.2089434471,0.2089434471,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_a2i_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2Co5O24 to be Li7Mn2(CoO4)3" +mp-1174572,Li7Mn2(CoO4)3,-6.4284948392,-1.7463403154,0.2203194475,0.2203194475,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1174578,Li7Mn2(CoO4)3,-6.5471650925,-1.8650105687,0.1016491942,0.1016491942,GGA+U,C2/m,A3B7C2D12_mC48_12_ai_c3i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_mC48_12_ai_d4i_i_12i:Co-Li-Mn-O, expected Li9Mn2(CoO8)3 to be Li7Mn2(CoO4)3" +mp-1175177,Li7Mn2(CoO4)3,-6.4092959083,-1.7271413845,0.2395183783,0.2395183783,GGA+U,P3m1,A3B7C2D12_hP24_156_a2b_2a2b3c_ac_4a4b4c:Co-Li-Mn-O,24.0,A3B7C2D12_hP24_156_a2b_2a2b3c_ac_4a4b4c:Co-Li-Mn-O +mp-1175196,Li7Mn2(CoO4)3,-6.4065438704,-1.7243893466,0.2422704163,0.2422704163,GGA+U,P3m1,A3B7C2D12_hP24_156_a2b_2a2b3c_ac_4a4b4c:Co-Li-Mn-O,24.0,A3B7C2D12_hP24_156_a2b_2a2b3c_ac_4a4b4c:Co-Li-Mn-O +mp-1175207,Li7Mn2(CoO4)3,-6.3788892979,-1.6967347741,0.2699249887,0.2699249887,GGA+U,P3m1,A3B7C2D12_hP24_156_2ab_2a3b2c_2c_4a4b4c:Co-Li-Mn-O,24.0,A3B7C2D12_hP24_156_2ab_2a3b2c_2c_4a4b4c:Co-Li-Mn-O +mp-1175227,Li7Mn2(CoO4)3,-6.3973765296,-1.7152220058,0.2514377571,0.2514377571,GGA+U,P3m1,A3B7C2D12_hP24_156_abc_2a2b3c_ab_4a4b4c:Co-Li-Mn-O,24.0,A3B7C2D12_hP24_156_abc_2a2b3c_ab_4a4b4c:Co-Li-Mn-O +mp-1175139,Li7Mn2(CoO4)3,-6.4285799567,-1.7464254329000002,0.22023433,0.22023433,GGA+U,P-3m1,A3B7C2D12_hP24_164_ad_bc2d_d_2c4d:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_hP24_164_ad_b2c3d_d_4c7d:Co-Li-Mn-O, expected Li11Mn2Co3O22 to be Li7Mn2(CoO4)3" +mp-1175209,Li7Mn2(CoO4)3,-6.2198566992,-1.5377021754,0.4289575875,0.4289575875,GGA+U,P-3m1,A3B7C2D12_hP24_164_ad_bc2d_d_2c4d:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B7C2D12_hP24_164_a2d_b2c3d_d_4c7d:Co-Li-Mn-O, expected Li11Mn2Co5O22 to be Li7Mn2(CoO4)3" +mp-755577,Li3Mn4CoO8,-7.5715489788,-2.0055079004,0.0229806702,0.0229806702,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_d2e_bcf_3i2j:Co-Li-Mn-O, expected Li5Mn4CoO14 to be Li3Mn4CoO8" +mp-1314136,LiMnCo3O8,-6.9859430812,-1.4498352939,0.0374710177,0.0374710177,GGA+U,P-1,A3BCD8_aP26_2_af2i_i_bd_8i:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_aP26_2_af4i_i_bd_16i:Co-Li-Mn-O, expected LiMnCo5O16 to be LiMnCo3O8" +mp-1303340,LiMnCo3O8,-6.9780059169,-1.4418981297,0.0454081819,0.0454081819,GGA+U,Pm,A3BCD8_mP26_6_ab2c_ab_ab_4a4b4c:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_mP26_6_ab4c_ab_ab_4a4b8c:Co-Li-Mn-O, expected LiMnCo5O12 to be LiMnCo3O8" +mp-1313454,LiMnCo3O8,-6.9959355673,-1.4598277801,0.0274785315,0.0274785315,GGA+U,P2/m,A3BCD8_mP26_10_bgo_ce_ah_2m2n2o:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_mP26_10_bdo_ch_ae_4m4n8o:Co-Li-Mn-O, expected LiMn(CoO8)3 to be LiMnCo3O8" +mp-755862,LiMnCo3O8,-6.99240497,-1.4562971828,0.0310091288,0.0310091288,GGA+U,C2/m,A3BCD8_mC52_12_adj_i_bc_4i2j:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_mC52_12_acj_i_bd_8i8j:Co-Li-Mn-O, expected LiMn(CoO8)3 to be LiMnCo3O8" +mp-1296423,LiMnCo3O8,-7.002332135,-1.4662243478,0.0210819638,0.0210819638,GGA+U,C2/m,A3BCD8_mC52_12_adj_i_bc_4i2j:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_mC52_12_ac3j_i_bd_8i8j:Co-Li-Mn-O, expected LiMnCo7O24 to be LiMnCo3O8" +mp-1287546,LiMnCo3O8,-7.0010433608,-1.4649355736,0.0223707381,0.0223707381,GGA+U,C2/m,A3BCD8_mC52_12_adj_i_bc_4i2j:Co-Li-Mn-O,26.0,"Invalid WP multiplicities - A3BCD8_mC52_12_ac3j_i_bd_8i8j:Co-Li-Mn-O, expected LiMnCo7O24 to be LiMnCo3O8" +mp-756037,LiMnCo3O8,-7.0058484692,-1.469740682,0.0175656296,0.0175656296,GGA+U,R-3m,A3BCD8_hR39_166_d_a_b_ch:Co-Li-Mn-O,26.0,A3BCD8_hR39_166_d_a_b_ch:Co-Li-Mn-O +mp-1343846,Li2Co3SnO8,-6.5608822139,-1.651890738,0.0578170456,0.0578170456,GGA+U,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Co-Li-O-Sn,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Co-Li-O-Sn +mp-1178056,Li2Co3SnO8,-6.5579149261000005,-1.6489234501,0.0607843335,0.0607843335,GGA+U,C2,A3B2C8D_mC112_5_ab5c_4c_16c_abc:Co-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_mC112_5_ab10c_6c_32c_ab2c:Co-Li-O-Sn, expected Li6Co11Sn3O32 to be Li2Co3SnO8" +mp-756663,Li2Co3SnO8,-6.3713691043,-1.4623776283,0.2473301553,0.2473301553,GGA+U,R3m,A3B2C8D_hR42_160_b_2a_2a2b_a:Co-Li-O-Sn,14.0,A3B2C8D_hR42_160_b_2a_2a2b_a:Co-Li-O-Sn +mp-757136,Li2Co3SnO8,-6.4043229729,-1.4953314969,0.2143762867,0.2143762867,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Li-O-Sn,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Li-O-Sn, expected Li2Co3SnO22 to be Li2Co3SnO8" +mp-772420,Li2Co3SnO8,-6.5817305171000005,-1.6727390412,0.0369687424,0.0369687424,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Co-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Co-Li-O-Sn, expected Li3Co3SnO30 to be Li2Co3SnO8" +mp-757875,Li2Co3SnO8,-6.5857438995,-1.6767524235,0.0329553601,0.0329553601,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Co-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Co-Li-O-Sn, expected Li2Co3SnO70 to be Li2Co3SnO8" +mp-760336,Li5Mn5CoO12,-7.2930523781,-1.9963883293,0.0778722147,0.0778722147,GGA+U,P1,AB5C5D12_aP69_1_3a_15a_15a_36a:Co-Li-Mn-O,69.0,AB5C5D12_aP69_1_3a_15a_15a_36a:Co-Li-Mn-O +mp-861490,Li5Mn2Co3O10,-6.7844350685,-1.8514107978,0.0645560093,0.0645560093,GGA+U,P1,A3B5C2D10_aP20_1_3a_5a_2a_10a:Co-Li-Mn-O,20.0,A3B5C2D10_aP20_1_3a_5a_2a_10a:Co-Li-Mn-O +mp-1291343,Li3Mn4SnO8,-7.4562442966,-2.0838748395,0.0331934689,0.0331934689,GGA+U,P1,A3B4C8D_aP32_1_6a_8a_16a_2a:Li-Mn-O-Sn,32.0,A3B4C8D_aP32_1_6a_8a_16a_2a:Li-Mn-O-Sn +mp-1290720,Li3Mn4SnO8,-7.4568522159,-2.0844827589,0.0325855495,0.0325855495,GGA+U,P-1,A3B4C8D_aP32_2_3i_abcefhi_8i_dg:Li-Mn-O-Sn,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_3i_abcefhi_13i_dg:Li-Mn-O-Sn, expected Li3Mn4SnO13 to be Li3Mn4SnO8" +mp-1305682,Li3Mn4SnO8,-7.4565078628,-2.0841384057,0.0329299027,0.0329299027,GGA+U,P-1,A3B4C8D_aP32_2_ah2i_bcdefgi_8i_i:Li-Mn-O-Sn,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_ab2i_a3d2fi_13i_i:Li-Mn-O-Sn, expected Li3Mn4SnO13 to be Li3Mn4SnO8" +mp-756844,Li3Mn4SnO8,-7.4553536212,-2.0829841642,0.0340841442,0.0340841442,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Mn-O-Sn,16.0,A3B4C8D_mC32_12_ae_bcf_2ij_d:Li-Mn-O-Sn +mp-1175545,Li9Mn2Co5O16,-6.5370442794,-1.8435147563,0.0696227281,0.0696227281,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175547,Li9Mn2Co5O16,-6.5318005291,-1.838271006,0.0748664784,0.0748664784,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175551,Li9Mn2Co5O16,-6.5250523666,-1.8315228435,0.0816146409,0.0816146409,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175557,Li9Mn2Co5O16,-6.5327549063,-1.8392253832,0.0739121013,0.0739121013,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175560,Li9Mn2Co5O16,-6.5329741259,-1.8394446028,0.0736928816,0.0736928816,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175562,Li9Mn2Co5O16,-6.5436731919,-1.8501436688,0.0629938156,0.0629938156,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175567,Li9Mn2Co5O16,-6.5343334619,-1.8408039388,0.0723335456,0.0723335456,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175568,Li9Mn2Co5O16,-6.5381672587,-1.8446377357,0.0684997488,0.0684997488,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175578,Li9Mn2Co5O16,-6.5418882441,-1.848358721,0.0647787634,0.0647787634,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175583,Li9Mn2Co5O16,-6.5271352359,-1.8336057128,0.0795317716,0.0795317716,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175590,Li9Mn2Co5O16,-6.5288592984000005,-1.8353297753,0.0778077091,0.0778077091,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175593,Li9Mn2Co5O16,-6.5328199753,-1.8392904522,0.0738470322,0.0738470322,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175597,Li9Mn2Co5O16,-6.5241341941,-1.830604671,0.0825328134,0.0825328134,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175599,Li9Mn2Co5O16,-6.5381737756,-1.8446442525,0.0684932319,0.0684932319,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175604,Li9Mn2Co5O16,-6.537018345,-1.8434888219,0.0696486625,0.0696486625,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175609,Li9Mn2Co5O16,-6.5343604566,-1.8408309335,0.0723065509,0.0723065509,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175613,Li9Mn2Co5O16,-6.4952910731,-1.80176155,0.1113759344,0.1113759344,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175616,Li9Mn2Co5O16,-6.5264191425,-1.8328896194,0.080247865,0.080247865,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175617,Li9Mn2Co5O16,-6.5379850962,-1.8444555732,0.0686819113,0.0686819113,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175621,Li9Mn2Co5O16,-6.5466589619,-1.8531294388,0.0600080456,0.0600080456,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175622,Li9Mn2Co5O16,-6.5441909812,-1.8506614582,0.0624760263,0.0624760263,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175627,Li9Mn2Co5O16,-6.5418578881,-1.848328365,0.0648091194,0.0648091194,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175631,Li9Mn2Co5O16,-6.5189730691,-1.825443546,0.0876939384,0.0876939384,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175637,Li9Mn2Co5O16,-6.5517882478,-1.8582587247,0.0548787597,0.0548787597,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175653,Li9Mn2Co5O16,-6.5269032928,-1.8333737697,0.0797637147,0.0797637147,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175661,Li9Mn2Co5O16,-6.5066940462,-1.8131645232,0.0999729613,0.0999729613,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175663,Li9Mn2Co5O16,-6.5385627406,-1.8450332175,0.0681042669,0.0681042669,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175669,Li9Mn2Co5O16,-6.5432939119,-1.8497643888,0.0633730956,0.0633730956,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175670,Li9Mn2Co5O16,-6.5271229294,-1.8335934063,0.0795440781,0.0795440781,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175685,Li9Mn2Co5O16,-6.5069455622,-1.8134160391,0.0997214453,0.0997214453,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175688,Li9Mn2Co5O16,-6.5356080025,-1.8420784794,0.071059005,0.071059005,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175691,Li9Mn2Co5O16,-6.5515517147,-1.8580221916,0.0551152928,0.0551152928,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175705,Li9Mn2Co5O16,-6.5474020594,-1.8538725363,0.0592649481,0.0592649481,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175708,Li9Mn2Co5O16,-6.54646745,-1.8529379269,0.0601995575,0.0601995575,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175710,Li9Mn2Co5O16,-6.5246238675,-1.8310943444,0.08204314,0.08204314,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175711,Li9Mn2Co5O16,-6.5202012622000005,-1.8266717391,0.0864657453,0.0864657453,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175712,Li9Mn2Co5O16,-6.5397766625,-1.8462471394,0.066890345,0.066890345,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175714,Li9Mn2Co5O16,-6.461113345,-1.7675838219000002,0.1455536625,0.1455536625,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175715,Li9Mn2Co5O16,-6.5346866891,-1.841157166,0.0719803184,0.0719803184,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175722,Li9Mn2Co5O16,-6.5159148406,-1.8223853175,0.0907521669,0.0907521669,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175724,Li9Mn2Co5O16,-6.5518384325,-1.8583089094,0.054828575,0.054828575,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175725,Li9Mn2Co5O16,-6.5335923128,-1.8400627897,0.0730746947,0.0730746947,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175727,Li9Mn2Co5O16,-6.5357627766,-1.8422332535,0.0709042309,0.0709042309,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175728,Li9Mn2Co5O16,-6.549463605,-1.8559340819,0.0572034025,0.0572034025,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175734,Li9Mn2Co5O16,-6.5094882897,-1.8159587666,0.0971787178,0.0971787178,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175736,Li9Mn2Co5O16,-6.5331554922,-1.8396259691,0.0735115153,0.0735115153,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175737,Li9Mn2Co5O16,-6.53559576,-1.8420662369,0.0710712475,0.0710712475,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175746,Li9Mn2Co5O16,-6.5395662903,-1.8460367672,0.0671007172,0.0671007172,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175750,Li9Mn2Co5O16,-6.5288783841,-1.835348861,0.0777886234,0.0777886234,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175753,Li9Mn2Co5O16,-6.5280640497,-1.8345345266,0.0786029578,0.0786029578,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175760,Li9Mn2Co5O16,-6.5018499559,-1.8083204328,0.1048170516,0.1048170516,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175764,Li9Mn2Co5O16,-6.550395695,-1.8568661719,0.0562713125,0.0562713125,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175766,Li9Mn2Co5O16,-6.5132892669,-1.8197597438,0.0933777406,0.0933777406,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175768,Li9Mn2Co5O16,-6.5152669462,-1.8217374232,0.0914000613,0.0914000613,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175769,Li9Mn2Co5O16,-6.5349165516,-1.8413870285,0.0717504559,0.0717504559,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175775,Li9Mn2Co5O16,-6.5268786197,-1.8333490966,0.0797883878,0.0797883878,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175778,Li9Mn2Co5O16,-6.5288745253,-1.8353450022,0.0777924822,0.0777924822,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175779,Li9Mn2Co5O16,-6.5271247522,-1.8335952291,0.0795422553,0.0795422553,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175781,Li9Mn2Co5O16,-6.5237343941,-1.830204871,0.0829326134,0.0829326134,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175783,Li9Mn2Co5O16,-6.5297398528,-1.8362103297,0.0769271547,0.0769271547,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175784,Li9Mn2Co5O16,-6.5473824906,-1.8538529675,0.0592845169,0.0592845169,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175785,Li9Mn2Co5O16,-6.5437377531,-1.85020823,0.0629292544,0.0629292544,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175786,Li9Mn2Co5O16,-6.5255307691,-1.832001246,0.0811362384,0.0811362384,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175790,Li9Mn2Co5O16,-6.5349704003,-1.8414408772,0.0716966072,0.0716966072,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175791,Li9Mn2Co5O16,-6.5323803063,-1.8388507832,0.0742867013,0.0742867013,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175794,Li9Mn2Co5O16,-6.5551331422,-1.8616036191,0.0515338653,0.0515338653,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175795,Li9Mn2Co5O16,-6.4498691606000005,-1.7563396375,0.1567978469,0.1567978469,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175797,Li9Mn2Co5O16,-6.5092790291,-1.815749506,0.0973879784,0.0973879784,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175803,Li9Mn2Co5O16,-6.5268735528,-1.8333440297,0.0797934547,0.0797934547,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175806,Li9Mn2Co5O16,-6.5239603978,-1.8304308747,0.0827066097,0.0827066097,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175809,Li9Mn2Co5O16,-6.4457175222,-1.7521879991,0.1609494853,0.1609494853,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175812,Li9Mn2Co5O16,-6.5330165456,-1.8394870225,0.0736504619,0.0736504619,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175822,Li9Mn2Co5O16,-6.5370870688,-1.8435575457,0.0695799388,0.0695799388,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175827,Li9Mn2Co5O16,-6.4977046141,-1.804175091,0.1089623934,0.1089623934,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175830,Li9Mn2Co5O16,-6.5266348072,-1.8331052841,0.0800322003,0.0800322003,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175837,Li9Mn2Co5O16,-6.4426081666,-1.7490786435,0.1640588409,0.1640588409,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175838,Li9Mn2Co5O16,-6.5182767309,-1.8247472078,0.0883902766,0.0883902766,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175840,Li9Mn2Co5O16,-6.5226365072,-1.8291069841,0.0840305003,0.0840305003,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175841,Li9Mn2Co5O16,-6.5280610372,-1.8345315141,0.0786059703,0.0786059703,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175844,Li9Mn2Co5O16,-6.5192223606,-1.8256928375,0.0874446469,0.0874446469,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175845,Li9Mn2Co5O16,-6.5302045178,-1.8366749947,0.0764624897,0.0764624897,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175846,Li9Mn2Co5O16,-6.5217654625,-1.8282359394,0.084901545,0.084901545,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175847,Li9Mn2Co5O16,-6.5216414656,-1.8281119425,0.0850255419,0.0850255419,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175848,Li9Mn2Co5O16,-6.5239394516,-1.8304099285,0.0827275559,0.0827275559,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175850,Li9Mn2Co5O16,-6.5163470794,-1.8228175563,0.0903199281,0.0903199281,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175851,Li9Mn2Co5O16,-6.5422560831,-1.84872656,0.0644109244,0.0644109244,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175853,Li9Mn2Co5O16,-6.5262087291,-1.832679206,0.0804582784,0.0804582784,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175859,Li9Mn2Co5O16,-6.5287341503,-1.8352046272,0.0779328572,0.0779328572,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175861,Li9Mn2Co5O16,-6.5223442781,-1.828814755,0.0843227294,0.0843227294,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175862,Li9Mn2Co5O16,-6.4891444688,-1.7956149457,0.1175225388,0.1175225388,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175864,Li9Mn2Co5O16,-6.5344706925,-1.8409411694,0.072196315,0.072196315,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175865,Li9Mn2Co5O16,-6.5304436316,-1.8369141085,0.0762233759,0.0762233759,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175870,Li9Mn2Co5O16,-6.5247922709,-1.8312627478,0.0818747366,0.0818747366,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175872,Li9Mn2Co5O16,-6.5317848494,-1.8382553263,0.0748821581,0.0748821581,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175877,Li9Mn2Co5O16,-6.5334227572,-1.8398932341,0.0732442503,0.0732442503,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175878,Li9Mn2Co5O16,-6.533114365,-1.8395848419,0.0735526425,0.0735526425,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175886,Li9Mn2Co5O16,-6.5281150403,-1.8345855172,0.0785519672,0.0785519672,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175888,Li9Mn2Co5O16,-6.5388712325,-1.8453417094,0.067795775,0.067795775,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175889,Li9Mn2Co5O16,-6.4258383212,-1.7323087982,0.1808286863,0.1808286863,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175891,Li9Mn2Co5O16,-6.5312674972,-1.8377379741,0.0753995103,0.0753995103,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175895,Li9Mn2Co5O16,-6.5183574881,-1.824827965,0.0883095194,0.0883095194,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175896,Li9Mn2Co5O16,-6.5216923203,-1.8281627972,0.0849746872,0.0849746872,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175901,Li9Mn2Co5O16,-6.5114912956,-1.8179617725,0.0951757119,0.0951757119,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175902,Li9Mn2Co5O16,-6.5159950331,-1.82246551,0.0906719744,0.0906719744,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175903,Li9Mn2Co5O16,-6.5375845894,-1.8440550663,0.0690824181,0.0690824181,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175904,Li9Mn2Co5O16,-6.4083437147,-1.7148141916,0.1983232928,0.1983232928,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175905,Li9Mn2Co5O16,-6.5267923281,-1.833262805,0.0798746794,0.0798746794,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175909,Li9Mn2Co5O16,-6.5326596784,-1.8391301553,0.0740073291,0.0740073291,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175910,Li9Mn2Co5O16,-6.5114388009,-1.8179092778,0.0952282066,0.0952282066,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175917,Li9Mn2Co5O16,-6.5124337681,-1.818904245,0.0942332394,0.0942332394,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175919,Li9Mn2Co5O16,-6.5164935128,-1.8229639897,0.0901734947,0.0901734947,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175920,Li9Mn2Co5O16,-6.5111292134,-1.8175996903,0.0955377941,0.0955377941,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175921,Li9Mn2Co5O16,-6.5075333062,-1.8140037832,0.0991337013,0.0991337013,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175923,Li9Mn2Co5O16,-6.5302986453,-1.8367691222,0.0763683622,0.0763683622,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175929,Li9Mn2Co5O16,-6.5139438219,-1.8204142988,0.0927231856,0.0927231856,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175930,Li9Mn2Co5O16,-6.5236903856,-1.8301608625,0.0829766219,0.0829766219,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175933,Li9Mn2Co5O16,-6.4051028837,-1.7115733607,0.2015641238,0.2015641238,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175936,Li9Mn2Co5O16,-6.5118410722,-1.8183115491,0.0948259353,0.0948259353,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175942,Li9Mn2Co5O16,-6.5147854081,-1.821255885,0.0918815994,0.0918815994,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175943,Li9Mn2Co5O16,-6.5049752031,-1.81144568,0.1016918044,0.1016918044,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175946,Li9Mn2Co5O16,-6.5208877472,-1.8273582241,0.0857792603,0.0857792603,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175947,Li9Mn2Co5O16,-6.5230106059,-1.8294810828,0.0836564016,0.0836564016,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175950,Li9Mn2Co5O16,-6.5251527147,-1.8316231916,0.0815142928,0.0815142928,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175952,Li9Mn2Co5O16,-6.4734331928,-1.7799036697,0.1332338147,0.1332338147,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175953,Li9Mn2Co5O16,-6.5223551366,-1.8288256135,0.0843118709,0.0843118709,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175955,Li9Mn2Co5O16,-6.5262148238,-1.8326853007,0.0804521838,0.0804521838,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175958,Li9Mn2Co5O16,-6.4828643116,-1.7893347885000002,0.1238026959,0.1238026959,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175960,Li9Mn2Co5O16,-6.3467946544,-1.6532651313,0.2598723531,0.2598723531,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175963,Li9Mn2Co5O16,-6.3412301481,-1.647700625,0.2654368594,0.2654368594,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175965,Li9Mn2Co5O16,-6.5239725106,-1.8304429875,0.0826944969,0.0826944969,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175968,Li9Mn2Co5O16,-6.5122836853,-1.8187541622,0.0943833222,0.0943833222,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175969,Li9Mn2Co5O16,-6.5073063269,-1.8137768038,0.0993606806,0.0993606806,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175970,Li9Mn2Co5O16,-6.5206026456,-1.8270731225,0.0860643619,0.0860643619,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175975,Li9Mn2Co5O16,-6.5307034572,-1.8371739341,0.0759635503,0.0759635503,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175976,Li9Mn2Co5O16,-6.5109777862,-1.8174482632,0.0956892213,0.0956892213,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175978,Li9Mn2Co5O16,-6.5225961491,-1.829066626,0.0840708584,0.0840708584,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175979,Li9Mn2Co5O16,-6.4519420253,-1.7584125022,0.1547249822,0.1547249822,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175981,Li9Mn2Co5O16,-6.4713287294,-1.7777992063,0.1353382781,0.1353382781,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175982,Li9Mn2Co5O16,-6.5163969272,-1.8228674041,0.0902700803,0.0902700803,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175985,Li9Mn2Co5O16,-6.3494402669,-1.6559107438,0.2572267406,0.2572267406,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175987,Li9Mn2Co5O16,-6.5215524722,-1.8280229491,0.0851145353,0.0851145353,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175988,Li9Mn2Co5O16,-6.4291968688,-1.7356673457,0.1774701388,0.1774701388,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175989,Li9Mn2Co5O16,-6.4951308906000005,-1.8016013675,0.1115361169,0.1115361169,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175992,Li9Mn2Co5O16,-6.4943643619,-1.8008348388000002,0.1123026456,0.1123026456,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175994,Li9Mn2Co5O16,-6.5124957406,-1.8189662175,0.0941712669,0.0941712669,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175995,Li9Mn2Co5O16,-6.5018089013,-1.8082793782,0.1048581063,0.1048581063,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175996,Li9Mn2Co5O16,-6.508092565,-1.8145630419,0.0985744425,0.0985744425,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175997,Li9Mn2Co5O16,-6.4137022028,-1.7201726797,0.1929648047,0.1929648047,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175998,Li9Mn2Co5O16,-6.5083972206,-1.8148676975,0.0982697869,0.0982697869,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175999,Li9Mn2Co5O16,-6.5005594022,-1.8070298791,0.1061076053,0.1061076053,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176000,Li9Mn2Co5O16,-6.455950585,-1.7624210619,0.1507164225,0.1507164225,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176001,Li9Mn2Co5O16,-6.5292899809,-1.8357604578,0.0773770266,0.0773770266,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176002,Li9Mn2Co5O16,-6.5089489091,-1.815419386,0.0977180984,0.0977180984,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176003,Li9Mn2Co5O16,-6.5144482831,-1.82091876,0.0922187244,0.0922187244,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176004,Li9Mn2Co5O16,-6.517775395,-1.8242458719,0.0888916125,0.0888916125,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176008,Li9Mn2Co5O16,-6.5134446834,-1.8199151603,0.0932223241,0.0932223241,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176009,Li9Mn2Co5O16,-6.5219184328,-1.8283889097,0.0847485747,0.0847485747,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176011,Li9Mn2Co5O16,-6.5176324594,-1.8241029363,0.0890345481,0.0890345481,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176012,Li9Mn2Co5O16,-6.4969983544,-1.8034688313,0.1096686531,0.1096686531,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176014,Li9Mn2Co5O16,-6.5236414388,-1.8301119157,0.0830255688,0.0830255688,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176015,Li9Mn2Co5O16,-6.5065325309,-1.8130030078,0.1001344766,0.1001344766,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176016,Li9Mn2Co5O16,-6.4996559772,-1.8061264541,0.1070110303,0.1070110303,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176017,Li9Mn2Co5O16,-6.47961787,-1.7860883469000002,0.1270491375,0.1270491375,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176019,Li9Mn2Co5O16,-6.5031373409,-1.8096078178,0.1035296666,0.1035296666,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176020,Li9Mn2Co5O16,-6.5097603041,-1.816230781,0.0969067034,0.0969067034,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176021,Li9Mn2Co5O16,-6.5172411513,-1.8237116282,0.0894258563,0.0894258563,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176022,Li9Mn2Co5O16,-6.5131071556,-1.8195776325,0.0935598519,0.0935598519,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176023,Li9Mn2Co5O16,-6.4983543241,-1.804824801,0.1083126834,0.1083126834,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176024,Li9Mn2Co5O16,-6.5029884031,-1.80945888,0.1036786044,0.1036786044,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176025,Li9Mn2Co5O16,-6.5121576944,-1.8186281713,0.0945093131,0.0945093131,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176026,Li9Mn2Co5O16,-6.4322763378,-1.7387468147,0.1743906697,0.1743906697,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176030,Li9Mn2Co5O16,-6.5158815363,-1.8223520132,0.0907854713,0.0907854713,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176031,Li9Mn2Co5O16,-6.5300947703,-1.8365652472,0.0765722372,0.0765722372,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176033,Li9Mn2Co5O16,-6.5007171394,-1.8071876163,0.1059498681,0.1059498681,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176034,Li9Mn2Co5O16,-6.5105989297,-1.8170694066,0.0960680778,0.0960680778,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176035,Li9Mn2Co5O16,-6.5141217431000005,-1.82059222,0.0925452644,0.0925452644,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176036,Li9Mn2Co5O16,-6.5102232228,-1.8166936997,0.0964437847,0.0964437847,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176037,Li9Mn2Co5O16,-6.4679698178,-1.7744402947,0.1386971897,0.1386971897,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176038,Li9Mn2Co5O16,-6.5130597006,-1.8195301775,0.0936073069,0.0936073069,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176039,Li9Mn2Co5O16,-6.5011350128,-1.8076054897,0.1055319947,0.1055319947,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176040,Li9Mn2Co5O16,-6.5112448113,-1.8177152882,0.0954221963,0.0954221963,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176042,Li9Mn2Co5O16,-6.4990888606,-1.8055593375,0.1075781469,0.1075781469,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176043,Li9Mn2Co5O16,-6.4640272094,-1.7704976863000002,0.1426397981,0.1426397981,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176044,Li9Mn2Co5O16,-6.5256024019000005,-1.8320728788,0.0810646056,0.0810646056,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_a2c2e_a2b2d4e_e_16e:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1176045,Li9Mn2Co5O16,-6.5123020172,-1.8187724941,0.0943649903,0.0943649903,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176046,Li9Mn2Co5O16,-6.4969807366,-1.8034512135,0.1096862709,0.1096862709,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176049,Li9Mn2Co5O16,-6.5043712759,-1.8108417528,0.1022957316,0.1022957316,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176051,Li9Mn2Co5O16,-6.5133366462,-1.8198071232,0.0933303613,0.0933303613,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176052,Li9Mn2Co5O16,-6.4986386928,-1.8051091697,0.1080283147,0.1080283147,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176053,Li9Mn2Co5O16,-6.5104133069,-1.8168837838,0.0962537006,0.0962537006,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176057,Li9Mn2Co5O16,-6.4964404944,-1.8029109713,0.1102265131,0.1102265131,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176058,Li9Mn2Co5O16,-6.5083506425,-1.8148211194,0.098316365,0.098316365,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176059,Li9Mn2Co5O16,-6.4983111975,-1.8047816744,0.10835581,0.10835581,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176060,Li9Mn2Co5O16,-6.5157985400000005,-1.8222690169,0.0908684675,0.0908684675,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176063,Li9Mn2Co5O16,-6.5052140944,-1.8116845713,0.1014529131,0.1014529131,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176066,Li9Mn2Co5O16,-6.4992971759,-1.8057676528,0.1073698316,0.1073698316,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176068,Li9Mn2Co5O16,-6.4996227984,-1.8060932753,0.1070442091,0.1070442091,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176070,Li9Mn2Co5O16,-6.4919897319,-1.7984602088,0.1146772756,0.1146772756,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176073,Li9Mn2Co5O16,-6.5022076678000005,-1.8086781447,0.1044593397,0.1044593397,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1228501,Ba3La3(Cu3O7)2,-6.5950687431,-2.1945368926,0.1029640809,0.1029640809,GGA,Pmmm,A3B6C3D14_oP26_47_dk_agil_fj_Aiu:Ba-Cu-La-O,26.0,A3B6C3D14_oP26_47_dk_agil_fj_Aiu:Ba-Cu-La-O +mp-1228391,Ba3CaLa2Cu6O13,-6.4545606032,-2.1930913162,0.0379715473,0.0379715473,GGA,Cm,A3BC6D2E13_mC50_8_3a_a_3b_2a_5a4b:Ba-Ca-Cu-La-O,25.0,A3BC6D2E13_mC50_8_3a_a_3b_2a_5a4b:Ba-Ca-Cu-La-O +mp-1228590,Ba3CaLa2Cu6O13,-6.4641041088,-2.2026348218,0.0284280417,0.0284280417,GGA,Cm,A3BC6D2E13_mC50_8_3a_a_3b_2a_5a4b:Ba-Ca-Cu-La-O,25.0,A3BC6D2E13_mC50_8_3a_a_3b_2a_5a4b:Ba-Ca-Cu-La-O +mp-505315,Ba2LaCu3O8,-6.37639244,-2.0446005339,0.0619549534,0.0619549534,GGA,P4/mmm,A2B3CD8_tP14_123_h_bg_c_egi:Ba-Cu-La-O,14.0,A2B3CD8_tP14_123_h_bg_c_egi:Ba-Cu-La-O +mp-1228470,Ba3CaLa2(Cu3O7)2,-6.4647144446,-2.1768905643,0.0365247196,0.0365247196,GGA,Cmm2,A3BC6D2E14_oC52_35_a2b_a_3c_ab_2c2d3e:Ba-Ca-Cu-La-O,26.0,A3BC6D2E14_oC52_35_a2b_a_3c_ab_2c2d3e:Ba-Ca-Cu-La-O +mp-1214453,BaCa2Cu3O5,-5.8254990868,-1.9199319717,0.1956392238,0.1956392238,GGA,P4/mmm,AB2C3D5_tP22_123_h_2h_ab2g_e2i:Ba-Ca-Cu-O,22.0,AB2C3D5_tP22_123_h_2h_ab2g_e2i:Ba-Ca-Cu-O +mp-1097098,CaLaCu2,-2.0028576625,1.7821474188000002,1.9468763444,1.9468763444,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Cu-La,4.0,AB2C_oI8_71_a_e_b:Ca-Cu-La +mp-1214137,Ca2La2Cu3O8,-6.8137236813,-2.43010077,0.1351441624,0.1351441624,GGA,I4/mmm,A2B3C2D8_tI30_139_e_ae_e_ceg:Ca-Cu-La-O,15.0,A2B3C2D8_tI30_139_e_ae_e_ceg:Ca-Cu-La-O +mp-622210,Ba2LaCu3O7,-6.4541113754,-2.1696192236,0.0206142507,0.0206142507,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-La-O,13.0,"Invalid WP multiplicities - A2B3CD7_oP13_47_k_cj_f_a2i2j2l:Ba-Cu-La-O, expected Ba2LaCu3O13 to be Ba2LaCu3O7" +mp-1228519,Ba2LaCu3O7,-6.4079967277,-2.1235045759,0.0667288984,0.0667288984,GGA,P4mm,A2B3CD7_tP13_99_2a_3b_a_b3c:Ba-Cu-La-O,13.0,A2B3CD7_tP13_99_2a_3b_a_b3c:Ba-Cu-La-O +mp-1517926,NdEu2SbO6,-8.8579040418,-2.9487755877,0.0835823518,0.0835823518,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Eu-Nd-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Eu-Nd-O-Sb +mp-1517747,NdEu2SbO6,-8.792910224,-2.88378177,0.1485761695,0.1485761695,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nd-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nd-O-Sb +mp-1519082,Ba2EuSbO6,-7.645446718,-2.8550381992,0.000581832,-0.0712078291,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Eu-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Eu-O-Sb +mp-21370,Ba2EuSbO6,-7.64602855,-2.8556200312,0.0,-0.0717896611,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-Sb +mp-1518347,BaNdEuSbO6,-8.0622746245,-2.9869488565,0.0381691079,0.0381691079,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Eu-Nd-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Eu-Nd-O-Sb, expected BaNdEuSbO12 to be BaNdEuSbO6" +mp-1518353,BaNdEuSbO6,-8.050680652,-2.975354884,0.0497630804,0.0497630804,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Eu-Nd-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Eu-Nd-O-Sb, expected BaNdEu2SbO12 to be BaNdEuSbO6" +mp-1518563,BaNdEuSbO6,-8.019008807,-2.943683039,0.0814349254,0.0814349254,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-Sb +mp-1194762,Na2NdGeO5,-6.5010756456,-2.4155568199,0.06462261,0.06462261,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:Ge-Na-Nd-O,36.0,AB2CD5_oP36_62_c_d_c_3cd:Ge-Na-Nd-O +mp-1221045,NaNd9(Ge3O13)2,-7.8887430579,-3.1128400624,0.0,-0.0020605319,GGA,P3,A6BC9D26_hP42_143_2d_a_a2b2d_2c8d:Ge-Na-Nd-O,42.0,A6BC9D26_hP42_143_2d_a_a2b2d_2c8d:Ge-Na-Nd-O +mp-1013808,Na3Ni2(GeO4)3,-5.9790347471,-1.5411748801,0.1661812618,0.1661812618,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Na-Ni-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Na-Ni-O +mp-1080730,Sr2ZrMnO6,-8.153845127,-3.0769616174,0.004860289,0.004860289,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Zr,20.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Zr +mp-1516749,SrEuZr2O6,-9.494654028,-3.6224511499,0.032641559,0.032641559,GGA,Cmmm,AB6CD2_oC20_65_a_ehj_b_f:Eu-O-Sr-Zr,10.0,AB6CD2_oC20_65_a_ehj_b_f:Eu-O-Sr-Zr +mp-1520433,SrEuMn4O12,-6.9057526117,-0.9082625585,1.154379242,1.154379242,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Eu-Mn-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Eu-Mn-O-Sr, expected SrEuMn4O16 to be SrEuMn4O12" +mp-1516719,SrEuZr4O12,-9.018304895,-3.1573292112,0.216252395,0.216252395,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Eu-O-Sr-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Eu-O-Sr-Zr, expected SrEuZr4O18 to be SrEuZr4O12" +mp-1521062,SrEuZrMnO6,-9.004794256,-3.0711599117,0.090223118,0.090223118,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Sr-Zr +mp-1218365,SrCr2BiO6,-7.750046145,-2.2984251659,0.0499424999,0.0499424999,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Bi-Cr-O-Sr,10.0,AB2C6D_hR30_146_a_2a_2b_a:Bi-Cr-O-Sr +mp-1520897,Sr2CrBiO6,-7.003229817,-2.3479642396,0.1130312872,0.1130312872,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Cr-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Cr-O-Sr +mp-1517668,SrCrSnBiO6,-7.053197918,-2.1659245004,0.1708907246,0.1708907246,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Bi-Cr-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Bi-Cr-O-Sn-Sr +mp-1208727,Sr3Sn4Bi,-3.7257895319,-0.6073824181,0.0,-0.0077356013,GGA,I4/mcm,AB4C3_tI32_140_c_l_ah:Bi-Sn-Sr,16.0,AB4C3_tI32_140_c_l_ah:Bi-Sn-Sr +mp-1197841,Pr6Fe13Cu,-7.1263546768,0.0183911698,0.033567256,0.033567256,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Cu-Fe-Pr,40.0,AB13C6_tI80_140_a_dk2l_fl:Cu-Fe-Pr +mp-1220053,PrFeCu,-5.7252900808,0.0580877975,0.1592617058,0.1592617058,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-Fe-Pr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-Fe-Pr, expected Pr3(FeCu)2 to be PrFeCu" +mp-1105690,PrFe4(CuO4)3,-7.1614636685,-1.6455199115,0.0161059577,0.0161059577,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Pr,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Pr +mp-755431,PrNdO2,-7.9166918912,-3.0560842387,0.0861641321,0.0861641321,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Nd-O-Pr,8.0,AB2C_tI16_141_a_e_b:Nd-O-Pr +mp-867722,PrNdO2,-7.9200149275,-3.059407275,0.0828410959,0.0828410959,GGA,R-3m,AB2C_hR12_166_a_c_b:Nd-O-Pr,4.0,AB2C_hR12_166_a_c_b:Nd-O-Pr +mp-1521864,NaCaTbFeO6,-6.798340388,-2.1870759129,0.1970185921,0.1970185921,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Na-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Na-O-Tb +mp-1517296,Ca2TbFeO6,-7.258839223,-2.5792672892,0.1946290974,0.1946290974,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-Tb +mp-1228146,Ba4Tm2Cu6O13,-6.443026952,-2.2218363971,0.0286154148,0.0286154148,GGA,Fmmm,A4B6C13D2_oF100_69_m_gn_a2ijn_c:Ba-Cu-O-Tm,25.0,"Invalid WP multiplicities - A4B6C13D2_oF100_69_m_gn_a3ijn_c:Ba-Cu-O-Tm, expected Ba4Tm2(Cu2O5)3 to be Ba4Tm2Cu6O13" +mp-1216605,TmFeCu,-5.7843107367,-0.1026229689,0.1133690208,0.1133690208,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Tm,6.0,ABC_oI12_74_a_c_e:Cu-Fe-Tm +mp-1205946,BaTmFeCuO5,-7.3475105811,-2.4922348256,0.0090600751,0.0090600751,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Tm,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Tm +mp-1189973,TmFe4(CuO4)3,-7.14144796,-1.6407577196,0.0523508397,0.0523508397,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Tm,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Tm +mp-22202,BaTm2CuO5,-7.5360626767,-3.1245853419,0.0351831475,0.0351831475,GGA,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Tm,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Tm +mp-1103591,BaTmFe4O7,-7.95553155,-2.1938610745,0.0735860594,0.0735860594,GGA+U,I-4,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Tm,13.0,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Tm +mp-622108,Ba2TmCu3O7,-6.4461060454,-2.1970117152,0.0360076917,0.0360076917,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Tm,13.0,"Invalid WP multiplicities - A2B3C7D_oP13_47_k_cj_ai2j2l_f:Ba-Cu-O-Tm, expected Ba2TmCu3O11 to be Ba2TmCu3O7" +mp-6710,Ba2Tm(CuO2)4,-6.3527569673,-2.0671488558,0.0,-0.0074949581,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Tm,15.0,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Tm +mp-1208968,SrZn2Fe16O27,-7.6724125285,-1.7313274146,0.0552232838,0.0552232838,GGA+U,P6_3/mmc,A16B27CD2_hP92_194_c3fgk_e2fh3k_b_e:Fe-O-Sr-Zn,92.0,A16B27CD2_hP92_194_c3fgk_e2fh3k_b_e:Fe-O-Sr-Zn +mp-1520156,Ba2MnSnO6,-7.124067115,-2.4551001855,0.0805565765,0.0805565765,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sn +mp-743694,Ba2La4Mn5SnO18,-8.2313749497,-2.8166408357,0.1611270904,0.1611270904,GGA+U,P1,A2B4C5D18E_aP30_1_2a_4a_5a_18a_a:Ba-La-Mn-O-Sn,30.0,A2B4C5D18E_aP30_1_2a_4a_5a_18a_a:Ba-La-Mn-O-Sn +mp-1185122,LaSnO3,-7.205669656,-2.4485406373,0.5257415092000001,0.5257415092000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:La-O-Sn,5.0,AB3C_cP5_221_a_c_b:La-O-Sn +mp-1227906,BaLaMnSnO6,-7.717231576,-2.74656143,0.1244432709,0.1244432709,GGA+U,Cm,ABCD6E_mC20_8_a_a_a_2a2b_a:Ba-La-Mn-O-Sn,10.0,"Invalid WP multiplicities - ABCD6E_mC20_8_a_a_a_2a4b_a:Ba-La-Mn-O-Sn, expected BaLaMnSnO10 to be BaLaMnSnO6" +mp-743838,Ba4La8Mn11SnO36,-8.3136882165,-2.8130800453,0.154761524,0.154761524,GGA+U,P1,A4B8C11D36E_aP60_1_4a_8a_11a_36a_a:Ba-La-Mn-O-Sn,60.0,A4B8C11D36E_aP60_1_4a_8a_11a_36a_a:Ba-La-Mn-O-Sn +mp-4086,La2Sn2O7,-7.792445157299999,-3.0180834392,0.0,-0.106764024,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:La-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:La-O-Sn +mp-1520704,NaSrLaMnO6,-6.980349404,-2.3013320629000003,0.2608823081,0.2608823081,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:La-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:La-Mn-Na-O-Sr +mp-1520145,NaLaMn4O12,-7.3687222617,-1.6872301449,0.3261962368,0.3261962368,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:La-Mn-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:La-Mn-Na-O, expected NaLaMn4O18 to be NaLaMn4O12" +mp-1220767,NaLa2Mn3O9,-8.132414215,-2.5856952963,0.1880931626,0.1880931626,GGA+U,P-3m1,A2B3CD9_hP15_164_d_bd_a_ei:La-Mn-Na-O,30.0,"Invalid WP multiplicities - A2B3CD9_mC30_12_i_2c2i_b_a2fi2j:La-Mn-Na-O, expected NaLa2Mn6O15 to be NaLa2Mn3O9" +mp-1520029,NaCaPrFeO6,-6.751043949,-2.1251255084,0.199924877,0.199924877,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ca-Fe-Na-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ca-Fe-Na-O-Pr +mp-1044754,CaPr(FeO3)2,-7.849835493,-2.5091674608,0.0,-0.0076161102,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Fe-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ca-Fe-O-Pr, expected CaPr(FeO6)2 to be CaPr(FeO3)2" +mp-1227161,CaPr3(FeO3)4,-8.1171191485,-2.6376858225,0.0,-0.002723039,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Fe-O-Pr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:Ca-Fe-O-Pr, expected CaPr3(Fe2O5)4 to be CaPr3(FeO3)4" +mp-1522287,NaPr(FeO3)4,-6.9168118128,-1.3977129004,0.2443038764,0.2443038764,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Fe-Na-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Fe-Na-O-Pr, expected NaPr(FeO4)4 to be NaPr(FeO3)4" +mp-683950,Ca10Pr4Cu24O41,-6.1746035008,-1.8660614874,0.0596898074,0.0596898074,GGA,Cccm,A10B24C41D4_oC316_66_l2m_ad2i2jl3m_eg3k2l7m_m:Ca-Cu-O-Pr,158.0,"Invalid WP multiplicities - A10B24C41D4_oC316_66_4l11m_2ad8i8j4l20m_2e4g11k8l50m_m:Ca-Cu-O-Pr, expected Ca52Pr4Cu123O248 to be Ca10Pr4Cu24O41" +mp-1228492,CaFe2CuO5,-7.1474015829,-1.8387024133,0.0754254214,0.0754254214,GGA+U,Cc,ABC2D5_mC144_9_4a_4a_8a_20a:Ca-Cu-Fe-O,72.0,"Invalid WP multiplicities - ABC2D5_mC144_9_6a_5a_11a_30a:Ca-Cu-Fe-O, expected Ca6Fe11(CuO6)5 to be CaFe2CuO5" +mp-1041467,CaFe2(CuO4)2,-6.475785141,-1.343664731,0.2344938334,0.2344938334,GGA+U,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ca-Cu-Fe-O,52.0,"Invalid WP multiplicities - AB2C2D8_mP52_14_e_6e_5e_26e:Ca-Cu-Fe-O, expected CaFe5(Cu3O13)2 to be CaFe2(CuO4)2" +mp-1044464,CaPr(CuO3)2,-6.549111945,-2.0826068208,0.049036955,0.049036955,GGA,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Cu-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ca-Cu-O-Pr, expected CaPr(CuO6)2 to be CaPr(CuO3)2" +mp-1043124,CaFe4(CuO4)3,-6.896997374,-1.5198189108,0.0371843864,0.0371843864,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Fe-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Fe-O +mp-1201096,CaCrBi12(Mo2O17)2,-7.0759975111,-1.8968718662,0.0091121119,0.0091121119,GGA+U,P2/c,A12BCD4E34_mP104_13_6g_a_e_2g_2f16g:Bi-Ca-Cr-Mo-O,104.0,A12BCD4E34_mP104_13_6g_a_e_2g_2f16g:Bi-Ca-Cr-Mo-O +mp-1044358,CaCrBiO5,-7.265317545,-2.2362450405,0.0347884033,0.0347884033,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Cr-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Cr-O, expected CaCrBiO15 to be CaCrBiO5" +mp-1042669,CaCrBiO5,-7.2740707823,-2.2449982778,0.0260351659,0.0260351659,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Cr-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Cr-O, expected CaCrBiO31 to be CaCrBiO5" +mp-1044350,CaBiMoO5,-7.4386880712,-2.2605402367,0.067903617,0.067903617,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Mo-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Mo-O, expected CaBiMoO15 to be CaBiMoO5" +mp-1851458,CaBiMoO5,-7.4698341123,-2.2916862778,0.0367575759,0.0367575759,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Mo-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Mo-O, expected CaBiMoO31 to be CaBiMoO5" +mp-1223093,La4Mn(NiO4)3,-7.926433942,-2.6460980276,0.025947427,0.025947427,GGA+U,P-1,A4BC3D12_aP20_2_2i_b_ci_6i:La-Mn-Ni-O,20.0,"Invalid WP multiplicities - A4BC3D12_aP20_2_3i_b_ci_12i:La-Mn-Ni-O, expected La6Mn(NiO8)3 to be La4Mn(NiO4)3" +mp-1332851,Ca5La10Mn14(NiO24)2,-8.2557102901,-2.7283986947,0.1431760856,0.1431760856,GGA+U,P1,A5B10C14D2E48_aP79_1_5a_10a_14a_2a_48a:Ca-La-Mn-Ni-O,79.0,A5B10C14D2E48_aP79_1_5a_10a_14a_2a_48a:Ca-La-Mn-Ni-O +mp-1272167,CaLa2MnO6,-8.2647329035,-3.1927567385,0.0824624277,0.0824624277,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Ca-La-Mn-O,40.0,AB2CD6_hR30_148_a_c_b_f:Ca-La-Mn-O +mp-697834,Ca4La4Mn7NiO24,-8.129230655,-2.7192006366,0.1038222828,0.1038222828,GGA+U,P1,A4B4C7DE24_aP40_1_4a_4a_7a_a_24a:Ca-La-Mn-Ni-O,40.0,A4B4C7DE24_aP40_1_4a_4a_7a_a_24a:Ca-La-Mn-Ni-O +mp-1227476,CaLa3Mn4O10,-8.6116803908,-2.8934265311000003,0.0828878315,0.0828878315,GGA+U,Pc,AB3C4D10_mP36_7_a_3a_4a_10a:Ca-La-Mn-O,36.0,"Invalid WP multiplicities - AB3C4D10_mP36_7_a_6a_5a_19a:Ca-La-Mn-O, expected CaLa6Mn5O19 to be CaLa3Mn4O10" +mp-1315251,Ca3LaMn4O12,-7.978107168,-2.6300505456,0.0785132176,0.0785132176,GGA+U,P1,A3BC4D12_aP20_1_3a_a_4a_12a:Ca-La-Mn-O,20.0,A3BC4D12_aP20_1_3a_a_4a_12a:Ca-La-Mn-O +mp-1227732,Ca3LaMn4O12,-7.9905581165,-2.6425014941,0.0660622691,0.0660622691,GGA+U,Pm,A3BC4D12_mP20_6_a2b_a_2c_2a2b4c:Ca-La-Mn-O,20.0,"Invalid WP multiplicities - A3BC4D12_mP20_6_a2b_a_4c_2a2b8c:Ca-La-Mn-O, expected Ca3LaMn8O20 to be Ca3LaMn4O12" +mp-1227659,Ca2LaMn3O9,-8.0845469085,-2.6876501657,0.0783427239,0.0783427239,GGA+U,Pnma,A2BC3D9_oP60_62_2c_c_ad_3c3d:Ca-La-Mn-O,60.0,"Invalid WP multiplicities - A2BC3D9_oP60_62_6c_c_4a5d_11c21d:Ca-La-Mn-O, expected Ca6LaMn14O53 to be Ca2LaMn3O9" +mp-39207,Ca3La5Mn7NiO24,-8.2685776083,-2.7852874093,0.1311680625,0.1311680625,GGA+U,P1,A3B5C7DE24_aP40_1_3a_5a_7a_a_24a:Ca-La-Mn-Ni-O,40.0,A3B5C7DE24_aP40_1_3a_5a_7a_a_24a:Ca-La-Mn-Ni-O +mp-1303495,CaLa3Mn4O12,-8.533514189,-2.8924168441,0.1557286072,0.1557286072,GGA+U,P1,AB3C4D12_aP20_1_a_3a_4a_12a:Ca-La-Mn-O,20.0,AB3C4D12_aP20_1_a_3a_4a_12a:Ca-La-Mn-O +mp-1227182,CaLa3Mn4O12,-8.5358434005,-2.8947460556,0.1533993957,0.1533993957,GGA+U,Pm,AB3C4D12_mP20_6_a_a2b_2c_2a2b4c:Ca-La-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mP20_6_a_a2b_4c_2a2b8c:Ca-La-Mn-O, expected CaLa3Mn8O20 to be CaLa3Mn4O12" +mp-694892,CaLa3Mn4O12,-8.5294716797,-2.8883743348,0.1597711164,0.1597711164,GGA+U,R-3c,AB3C4D12_hR120_167_a_e_bd_2ef:Ca-La-Mn-O,40.0,"Invalid WP multiplicities - AB3C4D12_hR120_167_a_e_2b3d_12e7f:Ca-La-Mn-O, expected CaLa3Mn11O78 to be CaLa3Mn4O12" +mp-1188812,La2MnNiO6,-8.2786985705,-2.8292687255,0.0423540875,0.0423540875,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:La-Mn-Ni-O,20.0,A2BCD6_mP20_14_e_a_d_3e:La-Mn-Ni-O +mp-1223253,La2MnNiO6,-8.273782222,-2.8243523770000003,0.047270436,0.047270436,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:La-Mn-Ni-O,10.0,A2BCD6_hR30_148_c_a_b_f:La-Mn-Ni-O +mp-1079517,La2MnNiO6,-8.224152001,-2.774722156,0.096900657,0.096900657,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:La-Mn-Ni-O,10.0,A2BCD6_cF40_225_c_a_b_e:La-Mn-Ni-O +mp-1223131,La4Mn3NiO12,-8.5354268065,-2.9169030309,0.1444862401,0.1444862401,GGA+U,P-1,A4B3CD12_aP20_2_2i_abe_h_6i:La-Mn-Ni-O,20.0,"Invalid WP multiplicities - A4B3CD12_aP20_2_4i_abe_h_12i:La-Mn-Ni-O, expected La8Mn3NiO24 to be La4Mn3NiO12" +mp-22533,Ca3MnNiO6,-7.1795089177,-2.5759558378,0.0009029779,0.0009029779,GGA+U,R-3c,A3BCD6_hR66_167_e_b_a_f:Ca-Mn-Ni-O,22.0,A3BCD6_hR66_167_e_b_a_f:Ca-Mn-Ni-O +mp-1357240,Ca2La5Mn7NiO24,-8.2381741259,-2.6657123803,0.1579295157,0.1579295157,GGA+U,P1,A2B5C7DE24_aP39_1_2a_5a_7a_a_24a:Ca-La-Mn-Ni-O,39.0,A2B5C7DE24_aP39_1_2a_5a_7a_a_24a:Ca-La-Mn-Ni-O +mp-1275931,CaLaMn2O6,-8.257536695,-2.7629597113,0.1178914309,0.1178914309,GGA+U,P1,ABC2D6_aP20_1_2a_2a_4a_12a:Ca-La-Mn-O,20.0,ABC2D6_aP20_1_2a_2a_4a_12a:Ca-La-Mn-O +mp-1227570,CaLaMn2O6,-8.2696743855,-2.7750974018,0.1057537404,0.1057537404,GGA+U,Pm,ABC2D6_mP40_6_2a2b_2a2b_4c_4a4b8c:Ca-La-Mn-O,40.0,"Invalid WP multiplicities - ABC2D6_mP40_6_2a2b_2a2b_5c_4a4b12c:Ca-La-Mn-O, expected Ca2La2Mn5O16 to be CaLaMn2O6" +mp-1272533,CaLaMn2O6,-8.2586641045,-2.7640871208,0.1167640214,0.1167640214,GGA+U,Pc,ABC2D6_mP20_7_a_a_2a_6a:Ca-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_7_a_a_3a_8a:Ca-La-Mn-O, expected CaLaMn3O8 to be CaLaMn2O6" +mp-1227410,CaLaMn2O6,-8.2580260225,-2.7634490388,0.1174021034,0.1174021034,GGA+U,P2_1/m,ABC2D6_mP20_11_e_e_ad_2e2f:Ca-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_11_e_e_2a2c_2e2f:Ca-La-Mn-O, expected CaLaMn4O6 to be CaLaMn2O6" +mp-39689,CaLaMn2O6,-8.2703384645,-2.7757614808,0.1050896614,0.1050896614,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ca-La-Mn-O,20.0,ABC2D6_oP20_31_a_a_b_2a2b:Ca-La-Mn-O +mp-1198744,CaLaMn2O6,-8.2653358162,-2.7707588326,0.1100923097,0.1100923097,GGA+U,Pmn2_1,ABC2D6_oP40_31_2a_2a_2b_4a4b:Ca-La-Mn-O,40.0,ABC2D6_oP40_31_2a_2a_2b_4a4b:Ca-La-Mn-O +mp-21507,CaLaMn2O6,-8.2664976787,-2.7719206951,0.1089304472,0.1089304472,GGA+U,Pnnm,ABC2D6_oP40_58_g_g_h_ef2gh:Ca-La-Mn-O,40.0,"Invalid WP multiplicities - ABC2D6_oP40_58_g_g_h_ef3g2h:Ca-La-Mn-O, expected CaLaMn2O9 to be CaLaMn2O6" +mp-1297871,Ca2LaMn2O7,-7.9921719712,-2.8340004356,0.1178181062,0.1178181062,GGA+U,Cmcm,A2BC2D7_oC48_63_2c_c_2c_3ch:Ca-La-Mn-O,24.0,"Invalid WP multiplicities - A2BC2D7_oC48_63_4c_c_2c_5ch:Ca-La-Mn-O, expected Ca4LaMn2O9 to be Ca2LaMn2O7" +mp-1287534,Ca2LaMn2O7,-7.9872570046,-2.8290854689,0.1227330728,0.1227330728,GGA+U,Immm,A2BC2D7_oI24_71_e_a_e_be2f:Ca-La-Mn-O,24.0,A2BC2D7_oI24_71_e_a_e_be2f:Ca-La-Mn-O +mp-1214095,Ca2LaMn2O7,-8.00282896,-2.8446574243,0.1071611174,0.1071611174,GGA+U,I4/mmm,A2BC2D7_tI24_139_e_a_e_beg:Ca-La-Mn-O,12.0,A2BC2D7_tI24_139_e_a_e_beg:Ca-La-Mn-O +mp-1227850,CaLa2Mn3O9,-8.449218982,-2.8569617575,0.1387476374,0.1387476374,GGA+U,P2_1/c,AB2C3D9_mP60_14_e_2e_ab2e_9e:Ca-La-Mn-O,60.0,"Invalid WP multiplicities - AB2C3D9_mP60_14_e_6e_2a2b5e_33e:Ca-La-Mn-O, expected CaLa6Mn7O33 to be CaLa2Mn3O9" +mp-1227500,CaLa2Mn3O9,-8.4496199672,-2.8573627427,0.1383466523,0.1383466523,GGA+U,Pnma,AB2C3D9_oP60_62_c_2c_ad_3c3d:Ca-La-Mn-O,60.0,"Invalid WP multiplicities - AB2C3D9_oP60_62_c_6c_4a5d_11c22d:Ca-La-Mn-O, expected CaLa6Mn14O55 to be CaLa2Mn3O9" +mp-1227187,CaLa2Mn3O9,-8.446049407,-2.8537921825,0.1419172124,0.1419172124,GGA+U,P-3c1,AB2C3D9_hP30_165_a_d_bd_fg:Ca-La-Mn-O,30.0,"Invalid WP multiplicities - AB2C3D9_hP30_165_a_d_2b3d_6f7g:Ca-La-Mn-O, expected CaLa2Mn8O60 to be CaLa2Mn3O9" +mp-1329093,Ca5Mn2(NiO6)2,-7.0151029271,-2.28783779,0.1040128692,0.1040128692,GGA+U,C2,A5B2C2D12_mC42_5_a2c_c_ab_6c:Ca-Mn-Ni-O,21.0,"Invalid WP multiplicities - A5B2C2D12_mC42_5_a3c_c_ab_12c:Ca-Mn-Ni-O, expected Ca7Mn2(NiO12)2 to be Ca5Mn2(NiO6)2" +mp-706340,Ca9LaMn10O30,-7.818068309,-2.5579239033,0.0472674324,0.0472674324,GGA+U,P1,A9BC10D30_aP100_1_18a_2a_20a_60a:Ca-La-Mn-O,100.0,A9BC10D30_aP100_1_18a_2a_20a_60a:Ca-La-Mn-O +mp-2231483,Na3Mg(NiO2)5,-5.6464136216,-1.2287595983,0.2026159585,0.2026159585,GGA+U,P1,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O,19.0,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O +mp-2231103,Na3Mg(NiO2)5,-5.7751635489,-1.3575095256,0.0738660311,0.0738660311,GGA+U,P1,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O,19.0,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O +mp-2231717,Na3Mg(NiO2)5,-5.6586782526,-1.2410242293,0.1903513275,0.1903513275,GGA+U,P1,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O,19.0,AB3C5D10_aP19_1_a_3a_5a_10a:Mg-Na-Ni-O +mp-976775,NaMgO3,-4.949683258,-1.3971089626,0.372954516,0.372954516,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Mg-Na-O,5.0,ABC3_cP5_221_b_a_c:Mg-Na-O +mp-2225014,Na6Mg(NiO3)2,-4.8648452173,-1.4797893881,0.1177292283,0.1177292283,GGA+U,P-1,AB6C2D6_aP15_2_a_3i_i_3i:Mg-Na-Ni-O,15.0,"Invalid WP multiplicities - AB6C2D6_aP15_2_a_5i_i_5i:Mg-Na-Ni-O, expected Na10Mg(NiO5)2 to be Na6Mg(NiO3)2" +mp-2232294,Na6Mg(NiO3)2,-4.8352410867,-1.4501852575,0.147333359,0.147333359,GGA+U,P-1,AB6C2D6_aP15_2_a_3i_i_3i:Mg-Na-Ni-O,15.0,"Invalid WP multiplicities - AB6C2D6_aP15_2_a_5i_i_5i:Mg-Na-Ni-O, expected Na10Mg(NiO5)2 to be Na6Mg(NiO3)2" +mp-2229804,Na6Mg(SbO4)2,-5.2764536776,-1.9019275611,0.167653014,0.167653014,GGA,P1,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-Sb,17.0,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-Sb +mp-2229633,Na6Mg(SbO4)2,-5.3201048929,-1.9455787764,0.1240017987,0.1240017987,GGA,P1,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-Sb,17.0,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-Sb +mp-1034329,NaMg14SbO16,-6.1412779887,-2.7974509071,0.1070723036,0.1070723036,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Na-O-Sb,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Na-O-Sb, expected NaMg18SbO20 to be NaMg14SbO16" +mp-1034338,NaMg14SbO16,-6.1432330072,-2.7994059255,0.1051172852,0.1051172852,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Na-O-Sb,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Na-O-Sb, expected NaMg30SbO32 to be NaMg14SbO16" +mp-1039690,NaMg30SbO32,-6.2371168537,-2.9284611226,0.0508206324,0.0508206324,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Na-O-Sb,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Na-O-Sb, expected NaMg90SbO80 to be NaMg30SbO32" +mp-1039675,NaMg30SbO32,-6.238664442,-2.9300087109,0.0492730441,0.0492730441,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Na-O-Sb,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Na-O-Sb, expected NaMg110SbO72 to be NaMg30SbO32" +mp-2231734,MgNi2(SbO3)4,-6.3499524674,-1.6638038934,0.2446073305,0.2446073305,GGA+U,P2,AB2C12D4_mP19_3_a_bc_6e_2b2c:Mg-Ni-O-Sb,19.0,"Invalid WP multiplicities - AB2C12D4_mP19_3_c_ab_9e_2a2b:Mg-Ni-O-Sb, expected MgNi2(Sb2O9)2 to be MgNi2(SbO3)4" +mp-2230390,MgNi2(SbO3)4,-6.4079943674,-1.7218457934,0.1865654305,0.1865654305,GGA+U,P2,AB2C12D4_mP19_3_a_bc_6e_2b2c:Mg-Ni-O-Sb,19.0,"Invalid WP multiplicities - AB2C12D4_mP19_3_c_ab_9e_2a2b:Mg-Ni-O-Sb, expected MgNi2(Sb2O9)2 to be MgNi2(SbO3)4" +mp-2231333,MgNi2(SbO3)4,-6.3846180716,-1.6984694976,0.2099417263,0.2099417263,GGA+U,Cm,AB2C12D4_mC38_8_a_2a_6a3b_4a:Mg-Ni-O-Sb,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_8_a_2a_6a5b_4a:Mg-Ni-O-Sb, expected MgNi2(SbO4)4 to be MgNi2(SbO3)4" +mp-2231411,MgNi2(SbO3)4,-6.3949838042,-1.7088352303,0.1995759936,0.1995759936,GGA+U,Cm,AB2C12D4_mC38_8_a_2a_6a3b_4a:Mg-Ni-O-Sb,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_8_a_2a_6a4b_4a:Mg-Ni-O-Sb, expected MgNi2(Sb2O7)2 to be MgNi2(SbO3)4" +mp-2217696,Na2Mg(SbO3)2,-5.8914462355,-2.056585746,0.1147472573,0.1147472573,GGA,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Na-O-Sb,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Na-O-Sb +mp-2217564,Na2Mg(SbO3)2,-5.8020078064,-1.9671473169,0.2041856864,0.2041856864,GGA,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Na-O-Sb,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Na-O-Sb +mp-2217379,Na2Mg(SbO3)2,-5.7961672009,-1.9613067114,0.2100262918,0.2100262918,GGA,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Na-O-Sb,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Na-O-Sb +mp-2217653,Na2Mg(SbO3)2,-5.80123359,-1.9663731005,0.2049599027,0.2049599027,GGA,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Na-O-Sb,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Na-O-Sb +mp-754369,Na4MgO3,-4.4889103344,-1.7726044147,0.0701254906,0.0701254906,GGA,Cc,AB4C3_mC32_9_a_4a_3a:Mg-Na-O,16.0,"Invalid WP multiplicities - AB4C3_mC32_9_a_6a_3a:Mg-Na-O, expected Na6MgO3 to be Na4MgO3" +mp-1374281,Mg2NiSbO6,-6.3457964505,-2.0668134218,0.1047718642,0.1047718642,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Ni-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_2e_a_4e6f_c:Mg-Ni-O-Sb, expected Mg2NiSbO16 to be Mg2NiSbO6" +mp-2227506,Na3MgNi2SbO6,-5.4823837515000005,-1.5641327671,0.3486719902,0.3486719902,GGA+U,Cm,AB3C2D6E_mC26_8_a_ab_b_2a2b_a:Mg-Na-Ni-O-Sb,13.0,"Invalid WP multiplicities - AB3C2D6E_mC26_8_a_ab_b_2a3b_a:Mg-Na-Ni-O-Sb, expected Na3MgNi2SbO8 to be Na3MgNi2SbO6" +mp-2223893,Na2Mg(NiO2)2,-5.3616578167,-1.4069512787,0.2962732328,0.2962732328,GGA+U,P3m1,AB2C2D4_hP9_156_a_ab_2c_2a2b:Mg-Na-Ni-O,9.0,AB2C2D4_hP9_156_a_ab_2c_2a2b:Mg-Na-Ni-O +mp-2217469,Na2Mg(NiO2)2,-4.77008162,-0.8153750820000001,0.8878494294,0.8878494294,GGA+U,P-6m2,AB2C2D4_hP9_187_a_cf_g_hi:Mg-Na-Ni-O,9.0,"Invalid WP multiplicities - AB2C2D4_hP9_187_a_cf_g_h2i:Mg-Na-Ni-O, expected Na2Mg(NiO3)2 to be Na2Mg(NiO2)2" +mp-2227786,Na7MgSbO6,-4.6570368053,-1.6792307646,0.1718270595,0.1718270595,GGA,P1,AB7C6D_aP15_1_a_7a_6a_a:Mg-Na-O-Sb,15.0,AB7C6D_aP15_1_a_7a_6a_a:Mg-Na-O-Sb +mp-2227099,Na7MgSbO6,-4.72108413,-1.7432780892,0.1077797348,0.1077797348,GGA,P1,AB7C6D_aP15_1_a_7a_6a_a:Mg-Na-O-Sb,15.0,AB7C6D_aP15_1_a_7a_6a_a:Mg-Na-O-Sb +mp-2227616,Na7MgSbO6,-4.65679289,-1.6789868492000002,0.1720709748,0.1720709748,GGA,R3,AB7C6D_hR45_146_a_a2b_2b_a:Mg-Na-O-Sb,15.0,"Invalid WP multiplicities - AB7C6D_hR45_146_a_a4b_4b_a:Mg-Na-O-Sb, expected Na13MgSbO12 to be Na7MgSbO6" +mp-2242232,Na7MgSbO6,-4.7123550807,-1.7345490399,0.1165087842,0.1165087842,GGA,R3,AB7C6D_hR45_146_a_a2b_2b_a:Mg-Na-O-Sb,15.0,"Invalid WP multiplicities - AB7C6D_hR45_146_a_a4b_4b_a:Mg-Na-O-Sb, expected Na13MgSbO12 to be Na7MgSbO6" +mp-2226994,NaMgNiO2,-5.24083214,-1.5215682508,0.3813150695,0.3813150695,GGA+U,P1,ABCD2_aP5_1_a_a_a_2a:Mg-Na-Ni-O,5.0,ABCD2_aP5_1_a_a_a_2a:Mg-Na-Ni-O +mp-2224452,NaMgNiO2,-4.826656944,-1.1073930548,0.7954902655,0.7954902655,GGA+U,P-1,ABCD2_aP5_2_a_e_b_i:Mg-Na-Ni-O,5.0,ABCD2_aP5_2_a_e_b_i:Mg-Na-Ni-O +mp-2227538,NaMgNiO2,-5.194358702,-1.4750948128,0.4277885075,0.4277885075,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Mg-Na-Ni-O,5.0,ABCD2_mC10_8_a_a_a_2a:Mg-Na-Ni-O +mp-2227579,NaMgNiO2,-5.152874918,-1.4336110288,0.4692722915,0.4692722915,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Mg-Na-Ni-O,5.0,ABCD2_aP5_1_a_a_a_2a:Mg-Na-Ni-O +mp-2228122,NaMgNiO2,-4.950015612,-1.2307517228,0.6721315975000001,0.6721315975000001,GGA+U,P2/m,ABCD2_mP5_10_b_c_e_m:Mg-Na-Ni-O,5.0,ABCD2_mP5_10_c_b_d_n:Mg-Na-Ni-O +mp-2210654,NaMgNiO2,-4.86937306,-1.1501091708,0.7527741495,0.7527741495,GGA+U,C2/m,ABCD2_mC10_12_a_c_b_i:Mg-Na-Ni-O,5.0,ABCD2_mC10_12_b_c_a_i:Mg-Na-Ni-O +mp-2226156,NaMgNiO2,-4.514275174,-0.7950112848,1.1078720355,1.1078720355,GGA+U,C2/m,ABCD2_mC10_12_a_b_c_i:Mg-Na-Ni-O,5.0,ABCD2_mC10_12_b_a_c_i:Mg-Na-Ni-O +mp-2225889,NaMgNiO2,-5.155703992,-1.4364401028,0.4664432175,0.4664432175,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Mg-Na-Ni-O,5.0,ABCD2_hR15_160_a_a_a_2a:Mg-Na-Ni-O +mp-2228929,Na2Mg(NiO2)5,-5.8524420856,-1.2628364661,0.0918794472,0.0918794472,GGA+U,P1,AB2C5D10_aP18_1_a_2a_5a_10a:Mg-Na-Ni-O,18.0,AB2C5D10_aP18_1_a_2a_5a_10a:Mg-Na-Ni-O +mp-2229074,Na2Mg(NiO2)5,-5.8489706394,-1.25936502,0.0953508933,0.0953508933,GGA+U,P1,AB2C5D10_aP18_1_a_2a_5a_10a:Mg-Na-Ni-O,18.0,AB2C5D10_aP18_1_a_2a_5a_10a:Mg-Na-Ni-O +mp-2229155,Na2Mg(NiO2)5,-5.8745791372,-1.2849735178,0.0697423956,0.0697423956,GGA+U,P-1,AB2C5D10_aP18_2_a_i_c2i_5i:Mg-Na-Ni-O,18.0,"Invalid WP multiplicities - AB2C5D10_aP18_2_a_i_c3i_9i:Mg-Na-Ni-O, expected Na2MgNi7O18 to be Na2Mg(NiO2)5" +mp-2230651,Na4Mg(Ni2O5)2,-5.49315173,-1.3101088323,0.1385833101,0.1385833101,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O +mp-2230285,Na4Mg(Ni2O5)2,-5.5173461658,-1.3343032681,0.1143888743,0.1143888743,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O +mp-2231875,Na4Mg(Ni2O5)2,-5.5945997289000005,-1.4115568312,0.0371353111,0.0371353111,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O +mp-2230549,Na4Mg(Ni2O5)2,-5.4256297063,-1.2425868086,0.2061053337,0.2061053337,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Na-Ni-O +mp-755084,Na6MgO4,-4.3790002573,-1.7133469249000002,0.0192638536,0.0192638536,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Mg-Na-O,22.0,"Invalid WP multiplicities - AB6C4_tP22_137_a_2d3f_g:Mg-Na-O, expected Na16MgO4 to be Na6MgO4" +mp-753816,Na6MgO4,-4.3873857959,-1.7217324636,0.010878315,0.010878315,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Mg-Na-O,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_9c_2b3c:Mg-Na-O, expected Na27MgO11 to be Na6MgO4" +mp-2231219,Na8Mg(NiO4)2,-4.8110089558,-1.4786791954,0.1092654396,0.1092654396,GGA+U,P1,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O,19.0,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O +mp-2230685,Na8Mg(NiO4)2,-4.8481128063,-1.5157830459,0.072161589,0.072161589,GGA+U,P1,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O,19.0,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O +mp-2231589,Na8Mg(NiO4)2,-4.8481343905,-1.5158046301,0.0721400048,0.0721400048,GGA+U,P1,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O,19.0,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O +mp-2230778,Na8Mg(NiO4)2,-4.8269197732,-1.4945900128,0.0933546222,0.0933546222,GGA+U,P1,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O,19.0,AB8C2D8_aP19_1_a_8a_2a_8a:Mg-Na-Ni-O +mp-2218154,Na5MgSbO5,-4.8601976,-1.7705849905000002,0.183497346,0.183497346,GGA,P1,AB5C5D_aP12_1_a_5a_5a_a:Mg-Na-O-Sb,12.0,AB5C5D_aP12_1_a_5a_5a_a:Mg-Na-O-Sb +mp-2218130,Na5MgSbO5,-4.7005127717,-1.6109001622,0.3431821744,0.3431821744,GGA,P1,AB5C5D_aP12_1_a_5a_5a_a:Mg-Na-O-Sb,12.0,AB5C5D_aP12_1_a_5a_5a_a:Mg-Na-O-Sb +mp-2218133,Na5MgSbO5,-4.467139815,-1.3775272055,0.576555131,0.576555131,GGA,C2/m,AB5C5D_mC24_12_a_b2i_c2i_d:Mg-Na-O-Sb,12.0,"Invalid WP multiplicities - AB5C5D_mC24_12_a_b3i_d3i_c:Mg-Na-O-Sb, expected Na7MgSbO7 to be Na5MgSbO5" +mp-2224805,Na4Mg(NiO3)2,-5.17093141,-1.4685631907,0.1674414085,0.1674414085,GGA+U,P1,AB4C2D6_aP13_1_a_4a_2a_6a:Mg-Na-Ni-O,13.0,AB4C2D6_aP13_1_a_4a_2a_6a:Mg-Na-Ni-O +mp-2218325,Na4Mg(NiO3)2,-5.1029692354,-1.4006010161,0.2354035831,0.2354035831,GGA+U,P-1,AB4C2D6_aP13_2_c_abi_i_3i:Mg-Na-Ni-O,13.0,"Invalid WP multiplicities - AB4C2D6_aP13_2_c_abi_i_6i:Mg-Na-Ni-O, expected Na4Mg(NiO6)2 to be Na4Mg(NiO3)2" +mp-2218772,Na4Mg(NiO3)2,-5.1237461831,-1.4213779637,0.2146266354,0.2146266354,GGA+U,Cm,AB4C2D6_mC26_8_a_2ab_b_2a2b:Mg-Na-Ni-O,13.0,AB4C2D6_mC26_8_a_2ab_b_2a2b:Mg-Na-Ni-O +mp-2218622,Na4Mg(NiO3)2,-5.1026311054,-1.4002628861,0.2357417131,0.2357417131,GGA+U,Cm,AB4C2D6_mC26_8_a_2ab_b_2a2b:Mg-Na-Ni-O,13.0,AB4C2D6_mC26_8_a_2ab_b_2a2b:Mg-Na-Ni-O +mp-2230166,Na4Mg(NiO2)5,-5.6375429045,-1.3746453177,0.124943107,0.124943107,GGA+U,P1,AB4C5D10_aP20_1_a_4a_5a_10a:Mg-Na-Ni-O,20.0,AB4C5D10_aP20_1_a_4a_5a_10a:Mg-Na-Ni-O +mp-2230011,Na4Mg(NiO2)5,-5.5003884115,-1.2374908247,0.2620976,0.2620976,GGA+U,P1,AB4C5D10_aP20_1_a_4a_5a_10a:Mg-Na-Ni-O,20.0,AB4C5D10_aP20_1_a_4a_5a_10a:Mg-Na-Ni-O +mp-2230006,Na4Mg(NiO2)5,-5.691967916,-1.4290703292,0.0705180955,0.0705180955,GGA+U,P-1,AB4C5D10_aP20_2_a_2i_c2i_5i:Mg-Na-Ni-O,20.0,"Invalid WP multiplicities - AB4C5D10_aP20_2_a_3i_c3i_9i:Mg-Na-Ni-O, expected Na6MgNi7O18 to be Na4Mg(NiO2)5" +mp-1030662,NaMg6SbO8,-6.0094060175,-2.5952362348,0.1597698872,0.1597698872,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Na-O-Sb,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Na-O-Sb, expected NaMg6SbO12 to be NaMg6SbO8" +mp-1030677,NaMg6SbO8,-5.95604577,-2.5418759873,0.2131301347,0.2131301347,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Na-O-Sb,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Na-O-Sb, expected NaMg6SbO12 to be NaMg6SbO8" +mp-1024037,NaMg3O4,-5.6996689525,-2.4609039164,0.1567088792,0.1567088792,GGA,Pm-3m,A3BC4_cP8_221_c_a_bd:Mg-Na-O,8.0,"Invalid WP multiplicities - A3BC4_cP8_221_c_a_b2d:Mg-Na-O, expected NaMg3O7 to be NaMg3O4" +mp-1076695,Sr7CaTi8O20,-8.1536388224,-3.266700922,0.0712842911,0.0712842911,GGA,P1,AB20C7D8_aP144_1_4a_80a_28a_32a:Ca-O-Sr-Ti,144.0,AB20C7D8_aP144_1_4a_80a_28a_32a:Ca-O-Sr-Ti +mp-1218476,SrCa3Ti4O12,-8.4787381505,-3.5463118658,0.0095791831,0.0095791831,GGA,Pm,A3B12CD4_mP20_6_a2b_2a2b4c_a_2c:Ca-O-Sr-Ti,20.0,"Invalid WP multiplicities - A3B12CD4_mP20_6_a2b_2a2b8c_a_4c:Ca-O-Sr-Ti, expected SrCa3Ti8O20 to be SrCa3Ti4O12" +mp-1218423,Sr4HfTi3O12,-8.5873221385,-3.5992269671,0.0189612863,0.0189612863,GGA,Cmmm,AB12C4D3_oC40_65_a_cde2ghi_q_bg:Hf-O-Sr-Ti,20.0,"Invalid WP multiplicities - AB12C4D3_oC40_65_a_cd2e2g2h2i_q_b2g:Hf-O-Sr-Ti, expected Sr4HfTi5O18 to be Sr4HfTi3O12" +mp-1075922,Sr7CaTi8O24,-8.4369898582,-3.5440768768,0.0094154607,0.0094154607,GGA,Pm-3m,AB24C7D8_cP40_221_a_ij_bcd_g:Ca-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB24C7D8_cP40_221_a_6i6j_b3c3d_g:Ca-O-Sr-Ti, expected Sr19CaTi8O144 to be Sr7CaTi8O24" +mp-1218574,Sr4Hf3TiO12,-8.926946246,-3.7326813733,0.0158581962,0.0158581962,GGA,P-1,A3B12C4D_aP20_2_abe_6i_2i_h:Hf-O-Sr-Ti,20.0,"Invalid WP multiplicities - A3B12C4D_aP20_2_abe_12i_4i_h:Hf-O-Sr-Ti, expected Sr8Hf3TiO24 to be Sr4Hf3TiO12" +mp-1518656,SrCaHfTiO6,-8.738613622,-3.6158229572,0.07153406,0.07153406,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-Ti +mp-1518238,SrCaTi4O12,-8.2313465778,-2.9737173592,0.1732139482,0.1732139482,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ca-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ca-O-Sr-Ti, expected SrCaTi4O18 to be SrCaTi4O12" +mp-1516534,Ca2HfTiO6,-8.727567963,-3.5731666556,0.1161093308,0.1161093308,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Ti,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Ti +mp-1523046,Sr2HfTiO6,-8.752828999,-3.6616489769,0.0217149345,0.0217149345,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Ti +mp-1218364,SrCaTi2O6,-8.45327093,-3.5366499666,0.0182815978,0.0182815978,GGA,Cmcm,AB6CD2_oC40_63_c_efg_c_d:Ca-O-Sr-Ti,20.0,AB6CD2_oC40_63_c_efg_c_d:Ca-O-Sr-Ti +mp-1218577,Sr3CaTi4O12,-8.444876943,-3.5440613009,0.0099107789,0.0099107789,GGA,C2,AB12C3D4_mC40_5_a_ab5c_bc_2c:Ca-O-Sr-Ti,20.0,"Invalid WP multiplicities - AB12C3D4_mC40_5_a_ab8c_bc_4c:Ca-O-Sr-Ti, expected Sr3CaTi8O18 to be Sr3CaTi4O12" +mp-1218872,Sr2CaTi3O9,-8.4484061815,-3.542322099,0.011969809,0.011969809,GGA,P1,AB9C2D3_aP60_1_4a_36a_8a_12a:Ca-O-Sr-Ti,60.0,AB9C2D3_aP60_1_4a_36a_8a_12a:Ca-O-Sr-Ti +mp-1218886,Sr2CaTi3O9,-8.4480279635,-3.541943881,0.012348027,0.012348027,GGA,Pm,AB9C2D3_mP60_6_2ac_2a2b16c_2b3c_6c:Ca-O-Sr-Ti,60.0,"Invalid WP multiplicities - AB9C2D3_mP60_6_2ac_2a2b28c_2b3c_12c:Ca-O-Sr-Ti, expected Sr2CaTi6O15 to be Sr2CaTi3O9" +mp-1218859,Sr2CaTi3O9,-8.4429802577,-3.5368961751,0.0173957328,0.0173957328,GGA,Fmm2,AB9C2D3_oF120_42_c_b3cd2e_2ac_be:Ca-O-Sr-Ti,30.0,"Invalid WP multiplicities - AB9C2D3_oF120_42_c_2b6c2d5e_2ac_2b3e:Ca-O-Sr-Ti, expected Sr2CaTi8O20 to be Sr2CaTi3O9" +mp-1218851,Sr2CaTi3O9,-8.4368462333,-3.5307621508,0.0235297572,0.0235297572,GGA,P4/mmm,AB9C2D3_tP15_123_c_aegi_h_bg:Ca-O-Sr-Ti,15.0,"Invalid WP multiplicities - AB9C2D3_tP15_123_c_a2eg3i_h_bg:Ca-O-Sr-Ti, expected Sr2CaTi3O19 to be Sr2CaTi3O9" +mp-17341,Ba3MnSb2O9,-7.0755763037,-2.5624335708,0.0,-0.0562071583,GGA+U,C2/c,A3BC9D2_mC60_15_ef_a_e4f_f:Ba-Mn-O-Sb,30.0,A3BC9D2_mC60_15_ef_c_e4f_f:Ba-Mn-O-Sb +mp-18787,Ba2Mn3(SbO)2,-6.8727501594,-1.3754861974,0.0161198417,0.0161198417,GGA+U,I4/mmm,A2B3C2D2_tI18_139_e_ad_c_e:Ba-Mn-O-Sb,18.0,"Invalid WP multiplicities - A2B3C2D2_tI18_139_e_2a2d_c_e:Ba-Mn-O-Sb, expected BaMn3SbO to be Ba2Mn3(SbO)2" +mp-1191110,La3Mn2Sb3O14,-7.9464851895,-2.7295443906,0.0053620851,0.0053620851,GGA+U,R-3m,A3B2C14D3_hR66_166_d_ab_c2h_e:La-Mn-O-Sb,44.0,A3B2C14D3_hR66_166_d_ab_c2h_e:La-Mn-O-Sb +mp-1227869,BaLaMnSbO6,-7.748317831,-2.7657047465,0.0790888793,0.0790888793,GGA+U,I-4,ABCD6E_tI20_82_c_d_a_eg_b:Ba-La-Mn-O-Sb,20.0,ABCD6E_tI20_82_c_d_a_eg_b:Ba-La-Mn-O-Sb +mp-1223293,La2Mn3Sb3O14,-7.8529383839,-2.4439063037,0.0711520746,0.0711520746,GGA+U,C2/m,A2B3C14D3_mC44_12_ac_bf_3i2j_de:La-Mn-O-Sb,44.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_ad_2b2e_3i2j_cf:La-Mn-O-Sb, expected La2Mn6Sb3O14 to be La2Mn3Sb3O14" +mp-19213,Ba2Mn2Sb2O,-6.2759165314,-1.2235348664,0.0,-0.029448757,GGA+U,P6_3/mmc,A2B2CD2_hP14_194_ab_f_c_f:Ba-Mn-O-Sb,14.0,A2B2CD2_hP14_194_ab_f_c_f:Ba-Mn-O-Sb +mp-18745,LaMnSbO,-7.6733055225,-1.8798774354,0.0133903402,0.0133903402,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:La-Mn-O-Sb,8.0,ABCD_tP8_129_c_a_b_c:La-Mn-O-Sb +mp-556375,Ba2LaSbO6,-7.2839189055,-3.0256098563,0.0070594635,-0.0693454862,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-La-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_b:Ba-La-O-Sb, expected Ba2LaSbO20 to be Ba2LaSbO6" +mp-551269,Ba2LaSbO6,-7.290978369,-3.0326693198,0.0,-0.0764049497,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Sb,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Sb +mp-1523089,Ba2LaSbO6,-7.2840592772,-3.025750228,0.0069190917,-0.0694858579,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-Sb +mp-1523148,Ba2LaSbO6,-7.282915586,-3.0246065368,0.008062783,-0.0683421667,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Sb +mp-1221264,Na2TiNiO4,-6.8676924056,-2.3542631396,0.0182938933,0.0182938933,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Na-Ni-O-Ti,16.0,A2BC4D_mP8_10_bg_c_mn_e:Na-Ni-O-Ti +mp-14996,Na2Eu2Ti3O10,-8.8275226641,-3.1620863494,0.0339387072,0.0339387072,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:Eu-Na-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_c3eg_ae:Eu-Na-O-Ti, expected Na2Eu2Ti3O12 to be Na2Eu2Ti3O10" +mp-1221612,Na2Eu2Ti2O9,-8.3186391487,-2.7539567072,0.150697609,0.150697609,GGA,Imm2,A2B2C9D2_oI30_44_c_c_a4c_c:Eu-Na-O-Ti,15.0,"Invalid WP multiplicities - A2B2C9D2_oI30_44_c_c_a6c_c:Eu-Na-O-Ti, expected Na2Eu2Ti2O13 to be Na2Eu2Ti2O9" +mp-1516933,NaEuTi4O12,-8.1430071594,-2.447353843,0.5315782233,0.5315782233,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-Na-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-Na-O-Ti, expected NaEuTi4O18 to be NaEuTi4O12" +mp-21307,NaEuTiO4,-8.6966762661,-3.0878514153,0.0242782092,0.0242782092,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Eu-Na-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Eu-Na-O-Ti +mp-1519459,CaDy(FeO3)4,-7.1957415817,-1.6483673542,0.2394900948,0.2394900948,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Dy-Fe-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Dy-Fe-O, expected CaDy(Fe2O9)2 to be CaDy(FeO3)4" +mp-1227204,Ca4MnFe3O10,-7.5884892242,-2.4739689156,0.0285291787,0.0285291787,GGA+U,P2_1/c,A4B3CD10_mP36_14_2e_ae_d_5e:Ca-Fe-Mn-O,36.0,"Invalid WP multiplicities - A4B3CD10_mP36_14_4e_ae_d_9e:Ca-Fe-Mn-O, expected Ca8Mn(FeO6)3 to be Ca4MnFe3O10" +mp-1519834,Ca2DyFeO6,-7.271048076,-2.5942340682,0.1861876115,0.1861876115,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ca-Dy-Fe-O,,A2BCD6_cF40_225_c_a_b_e:Ca-Dy-Fe-O +mp-1521466,Ca2DyMnO6,-7.479342845,-2.7333294290000003,0.1991967272,0.1991967272,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ca-Dy-Mn-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ca-Dy-Mn-O +mp-1212984,DyMnFeO5,-8.3996730788,-2.5281397165,0.0,-0.0032062222,GGA+U,Pbam,ABCD5_oP32_55_g_h_e_fghi:Dy-Fe-Mn-O,32.0,ABCD5_oP32_55_g_h_e_fghi:Dy-Fe-Mn-O +mp-1355282,CaMnFeO5,-7.4424652597,-1.8960802674,0.2337747478,0.2337747478,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:Ca-Fe-Mn-O,32.0,ABCD5_oP32_19_a_a_a_5a:Ca-Fe-Mn-O +mp-1358203,Ca3Mn2(FeO5)2,-7.6028346262,-2.2647311111,0.1354941917,0.1354941917,GGA+U,Pc,A3B2C2D10_mP34_7_3a_2a_2a_10a:Ca-Fe-Mn-O,34.0,"Invalid WP multiplicities - A3B2C2D10_mP34_7_6a_4a_2a_20a:Ca-Fe-Mn-O, expected Ca3Mn(FeO5)2 to be Ca3Mn2(FeO5)2" +mp-505314,Ca2MnFeO5,-7.6710870167,-2.5181225924,0.0299765183,0.0299765183,GGA+U,Pnma,A2BCD5_oP36_62_d_c_a_c2d:Ca-Fe-Mn-O,36.0,A2BCD5_oP36_62_d_c_a_c2d:Ca-Fe-Mn-O +mp-1520547,CaDyMn4O12,-7.6402023483,-1.9390516582,0.2706872355,0.2706872355,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Dy-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Dy-Mn-O, expected CaDyMn4O18 to be CaDyMn4O12" +mp-1223138,La2TiMnO6,-9.1274868358,-3.4665214571,0.013629247,0.013629247,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mn-O-Ti,40.0,A2BC6D_mP20_14_e_a_3e_b:La-Mn-O-Ti +mp-1247661,Ca8TiMn7O20,-7.8677247812,-2.6730533277,0.0941245864,0.0941245864,GGA+U,P1,A8B7C20D_aP144_1_32a_28a_80a_4a:Ca-Mn-O-Ti,144.0,A8B7C20D_aP144_1_32a_28a_80a_4a:Ca-Mn-O-Ti +mp-1268194,Ca8TiMn7O20,-7.8557666294,-2.6610951759,0.1060827382,0.1060827382,GGA+U,Cm,A8B7C20D_mC72_8_4a2b_3a2b_2a9b_a:Ca-Mn-O-Ti,36.0,"Invalid WP multiplicities - A8B7C20D_mC72_8_4a4b_3a4b_2a18b_a:Ca-Mn-O-Ti, expected Ca12TiMn11O38 to be Ca8TiMn7O20" +mp-40866,CaLaTiMnO6,-8.6299000888,-3.2619754326,0.0855209312,0.0855209312,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-La-Mn-O-Ti,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-La-Mn-O-Ti +mp-1247608,Ca8Ti3Mn5O20,-8.0420408492,-2.9177317999,0.1051996554,0.1051996554,GGA+U,P1,A8B5C20D3_aP36_1_8a_5a_20a_3a:Ca-Mn-O-Ti,36.0,A8B5C20D3_aP36_1_8a_5a_20a_3a:Ca-Mn-O-Ti +mp-1247624,Ca8Ti3Mn5O20,-8.062596204,-2.9382871546,0.0846443006,0.0846443006,GGA+U,P1,A8B5C20D3_aP144_1_32a_20a_80a_12a:Ca-Mn-O-Ti,144.0,A8B5C20D3_aP144_1_32a_20a_80a_12a:Ca-Mn-O-Ti +mp-1280567,CaLa2Ti2Mn2O12,-8.6374754534,-3.0925863354,0.1321569398,0.1321569398,GGA+U,P1,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-La-Mn-O-Ti,38.0,"Invalid WP multiplicities - AB2C2D12E2_aP19_1_a_2a_4a_12a_2a:Ca-La-Mn-O-Ti, expected CaLa2Ti2Mn4O12 to be CaLa2Ti2Mn2O12" +mp-1247694,Ca8TiMn7O22,-7.8340628874,-2.6524431571,0.0669205011,0.0669205011,GGA+U,P1,A8B7C22D_aP152_1_32a_28a_88a_4a:Ca-Mn-O-Ti,152.0,A8B7C22D_aP152_1_32a_28a_88a_4a:Ca-Mn-O-Ti +mp-1247695,Ca8TiMn7O22,-7.7762788955,-2.5946591653,0.124704493,0.124704493,GGA+U,P4mm,A8B7C22D_tP38_99_2d_a2b2c_ab2c2e2f_a:Ca-Mn-O-Ti,38.0,"Invalid WP multiplicities - A8B7C22D_tP38_99_8d_a2b4c_ab4c8e8f_a:Ca-Mn-O-Ti, expected Ca32TiMn11O74 to be Ca8TiMn7O22" +mp-1247725,Ca4TiMn3O11,-7.9410735995,-2.7927834291,0.0608663014,0.0608663014,GGA+U,P1,A4B3C11D_aP76_1_16a_12a_44a_4a:Ca-Mn-O-Ti,76.0,A4B3C11D_aP76_1_16a_12a_44a_4a:Ca-Mn-O-Ti +mp-1247688,Ca4TiMn3O11,-7.8858985216,-2.7376083512,0.1160413793,0.1160413793,GGA+U,Pmm2,A4B3C11D_oP38_25_2i_ab2c2d_2abc2d2e2f2g2h_ab:Ca-Mn-O-Ti,38.0,"Invalid WP multiplicities - A4B3C11D_oP38_25_8i_ab2c2d_2abc2d4e4f4g4h_ab:Ca-Mn-O-Ti, expected Ca16TiMn3O19 to be Ca4TiMn3O11" +mp-1247702,Ca8TiMn7O21,-7.850191554,-2.6622223368,0.0871497028,0.0871497028,GGA+U,P1,A8B7C21D_aP148_1_32a_28a_84a_4a:Ca-Mn-O-Ti,148.0,A8B7C21D_aP148_1_32a_28a_84a_4a:Ca-Mn-O-Ti +mp-1247724,Ca8TiMn7O21,-7.8130972041,-2.6251279868,0.1242440527,0.1242440527,GGA+U,Pm,A8B7C21D_mP37_6_4c_3a4b_6a7b4c_a:Ca-Mn-O-Ti,37.0,"Invalid WP multiplicities - A8B7C21D_mP37_6_8c_3a4b_6a7b8c_a:Ca-Mn-O-Ti, expected Ca16TiMn7O29 to be Ca8TiMn7O21" +mp-1211393,LaTi4Mn3O12,-9.2834315908,-3.1152173116,0.035399058,0.035399058,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:La-Mn-O-Ti,40.0,AB3C12D4_cI40_204_a_b_g_c:La-Mn-O-Ti +mp-1247663,Ca8Ti3Mn5O22,-8.0412048436,-2.9262442331000003,0.0616915697,0.0616915697,GGA+U,P1,A8B5C22D3_aP152_1_32a_20a_88a_12a:Ca-Mn-O-Ti,152.0,A8B5C22D3_aP152_1_32a_20a_88a_12a:Ca-Mn-O-Ti +mp-1247630,Ca8Ti3Mn5O22,-7.9984536537,-2.8834930432,0.1044427596,0.1044427596,GGA+U,Pmm2,A8B5C22D3_oP38_25_2i_a2b2d_2abc2d2e2f2g2h_a2c:Ca-Mn-O-Ti,38.0,"Invalid WP multiplicities - A8B5C22D3_oP38_25_8i_a2b2d_2abc2d4e4f4g4h_a2c:Ca-Mn-O-Ti, expected Ca32Ti3Mn5O38 to be Ca8Ti3Mn5O22" +mp-706246,Ca9LaTi6Mn4O30,-8.292787926799999,-3.1846263142,0.0329095111,0.0329095111,GGA+U,P1,A9BC4D30E6_aP100_1_18a_2a_8a_60a_12a:Ca-La-Mn-O-Ti,100.0,A9BC4D30E6_aP100_1_18a_2a_8a_60a_12a:Ca-La-Mn-O-Ti +mp-1194928,CaTi2MnO6,-8.9021096433,-3.238236496,0.017872487,0.017872487,GGA+U,P4_2mc,ABC6D2_tP40_105_ab_2c_2d2ef_f:Ca-Mn-O-Ti,40.0,ABC6D2_tP40_105_ab_2c_2d2ef_f:Ca-Mn-O-Ti +mp-1445473,CaLa2TiO6,-8.627717193,-3.6823933556,0.0631174278,0.0631174278,GGA,R-3,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Ti,10.0,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Ti +mp-1247628,Ca8TiMn7O23,-7.8150730735,-2.6394772155,0.0514169528,0.0514169528,GGA+U,P1,A8B7C23D_aP156_1_32a_28a_92a_4a:Ca-Mn-O-Ti,156.0,A8B7C23D_aP156_1_32a_28a_92a_4a:Ca-Mn-O-Ti +mp-1247653,Ca8TiMn7O23,-7.7661615515,-2.5905656936,0.1003284747,0.1003284747,GGA+U,P4mm,A8B7C23D_tP39_99_2d_a2b2c_a2b2c2e2f_a:Ca-Mn-O-Ti,39.0,"Invalid WP multiplicities - A8B7C23D_tP39_99_8d_a2b4c_a2b4c8e8f_a:Ca-Mn-O-Ti, expected Ca32TiMn11O75 to be Ca8TiMn7O23" +mp-686651,Ca9LaTi10O30,-8.5839689404,-3.5771291898,0.0,-0.0093738937,GGA,P1,A9BC30D10_aP100_1_18a_2a_60a_20a:Ca-La-O-Ti,100.0,A9BC30D10_aP100_1_18a_2a_60a_20a:Ca-La-O-Ti +mp-1247666,Ca8Ti3Mn5O23,-8.0190177559,-2.9083718095,0.0442080381,0.0442080381,GGA+U,P1,A8B5C23D3_aP156_1_32a_20a_92a_12a:Ca-Mn-O-Ti,156.0,A8B5C23D3_aP156_1_32a_20a_92a_12a:Ca-Mn-O-Ti +mp-1247641,Ca8Ti3Mn5O23,-7.9700849297,-2.8594389834,0.0931408642,0.0931408642,GGA+U,Pmm2,A8B5C23D3_oP39_25_2i_a2b2d_2a2bc2d2e2f2g2h_a2c:Ca-Mn-O-Ti,39.0,"Invalid WP multiplicities - A8B5C23D3_oP39_25_8i_a2b2d_2a2bc2d4e4f4g4h_a2c:Ca-Mn-O-Ti, expected Ca32Ti3Mn5O39 to be Ca8Ti3Mn5O23" +mp-1247681,Ca8Ti2Mn6O23,-7.9164822626,-2.7733613604,0.0483756475,0.0483756475,GGA+U,P1,A8B6C23D2_aP156_1_32a_24a_92a_8a:Ca-Mn-O-Ti,156.0,A8B6C23D2_aP156_1_32a_24a_92a_8a:Ca-Mn-O-Ti +mp-1247662,Ca8Ti2Mn6O23,-7.876121871,-2.7330009689,0.0887360391,0.0887360391,GGA+U,Pmm2,A8B6C23D2_oP39_25_2i_ab2c2d_2ab2c2d2e2f2g2h_ab:Ca-Mn-O-Ti,39.0,"Invalid WP multiplicities - A8B6C23D2_oP39_25_8i_ab2c2d_2ab2c2d4e4f4g4h_ab:Ca-Mn-O-Ti, expected Ca32Ti2Mn6O39 to be Ca8Ti2Mn6O23" +mp-1247605,Ca8Ti3Mn5O24,-7.9981861182,-2.8916391027,0.0273525875,0.0273525875,GGA+U,Pm,A8B5C24D3_mP160_6_8a8b8c_10c_8a8b40c_6c:Ca-Mn-O-Ti,160.0,"Invalid WP multiplicities - A8B5C24D3_mP160_6_8a8b16c_20c_8a8b80c_12c:Ca-Mn-O-Ti, expected Ca6Ti3Mn5O22 to be Ca8Ti3Mn5O24" +mp-1247713,Ca8Ti3Mn5O24,-7.9408096797,-2.8342626642,0.0847290259,0.0847290259,GGA+U,P4/mmm,A8B5C24D3_tP40_123_r_abcf_ghilmno_de:Ca-Mn-O-Ti,40.0,"Invalid WP multiplicities - A8B5C24D3_tP40_123_r_abc2f_2g2h3i3l3m3n3o_de:Ca-Mn-O-Ti, expected Ca8Ti3Mn7O68 to be Ca8Ti3Mn5O24" +mp-694916,Ca9LaTi8Mn2O30,-8.449602175,-3.3921014934,0.0295491618,0.0295491618,GGA+U,P1,A9BC2D30E8_aP100_1_18a_2a_4a_60a_16a:Ca-La-Mn-O-Ti,100.0,A9BC2D30E8_aP100_1_18a_2a_4a_60a_16a:Ca-La-Mn-O-Ti +mp-694954,Ca9LaTi9MnO30,-8.5262235154,-3.4940532993,0.0209264002,0.0209264002,GGA+U,Pm,A9BCD30E9_mP100_6_2a8c_2b_c_2a2b28c_9c:Ca-La-Mn-O-Ti,100.0,"Invalid WP multiplicities - A9BCD30E9_mP100_6_2a13c_2b_c_2a2b45c_16c:Ca-La-Mn-O-Ti, expected Ca14LaTi16MnO47 to be Ca9LaTi9MnO30" +mp-1247614,Ca8Ti3Mn5O21,-8.0536233341,-2.9341148345,0.0775932723,0.0775932723,GGA+U,P1,A8B5C21D3_aP148_1_32a_20a_84a_12a:Ca-Mn-O-Ti,148.0,A8B5C21D3_aP148_1_32a_20a_84a_12a:Ca-Mn-O-Ti +mp-1247673,Ca8Ti3Mn5O21,-8.0249578346,-2.905449335,0.1062587718,0.1062587718,GGA+U,Pm,A8B5C21D3_mP37_6_4c_a4b_6a7b4c_3a:Ca-Mn-O-Ti,37.0,"Invalid WP multiplicities - A8B5C21D3_mP37_6_8c_a4b_6a7b8c_3a:Ca-Mn-O-Ti, expected Ca16Ti3Mn5O29 to be Ca8Ti3Mn5O21" +mp-1227706,Ca2TiMnO6,-8.11615471,-3.0412707764,0.0052926824,0.0052926824,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mn-O-Ti,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mn-O-Ti +mp-744380,Ca9LaTi4Mn6O30,-8.1412195098,-2.9823969662,0.0310240293,0.0310240293,GGA+U,P1,A9BC6D30E4_aP100_1_18a_2a_12a_60a_8a:Ca-La-Mn-O-Ti,100.0,A9BC6D30E4_aP100_1_18a_2a_12a_60a_8a:Ca-La-Mn-O-Ti +mp-1247707,Ca4TiMn3O12,-7.904513001,-2.7663029036,0.0251170179,0.0251170179,GGA+U,Pm,A4B3C12D_mP80_6_4a4b4c_6c_4a4b20c_2c:Ca-Mn-O-Ti,80.0,"Invalid WP multiplicities - A4B3C12D_mP80_6_4a4b4c_12c_4a4b36c_3c:Ca-Mn-O-Ti, expected Ca8Ti3Mn12O40 to be Ca4TiMn3O12" +mp-1247651,Ca4TiMn3O12,-7.8351537575,-2.6969436601,0.0944762614,0.0944762614,GGA+U,P4/mmm,A4B3C12D_tP20_123_k_af_bdeln_c:Ca-Mn-O-Ti,20.0,"Invalid WP multiplicities - A4B3C12D_tP20_123_k_af_bde3l3n_c:Ca-Mn-O-Ti, expected Ca4TiMn3O28 to be Ca4TiMn3O12" +mp-1247703,Ca8Ti2Mn6O21,-7.9526021174,-2.798863259,0.0884242061,0.0884242061,GGA+U,P1,A8B6C21D2_aP148_1_32a_24a_84a_8a:Ca-Mn-O-Ti,148.0,A8B6C21D2_aP148_1_32a_24a_84a_8a:Ca-Mn-O-Ti +mp-1247626,Ca8Ti2Mn6O21,-7.9195477614,-2.7658089029,0.1214785622,0.1214785622,GGA+U,Pm,A8B6C21D2_mP37_6_4c_2a4b_6a7b4c_2a:Ca-Mn-O-Ti,37.0,"Invalid WP multiplicities - A8B6C21D2_mP37_6_8c_2a4b_6a7b8c_2a:Ca-Mn-O-Ti, expected Ca16Ti2Mn6O29 to be Ca8Ti2Mn6O21" +mp-1227811,Ca2La4Ti5O18,-8.8977861159,-3.6469900791,0.0786413798,0.0786413798,GGA,R-3m,A2B4C18D5_hR87_166_c_2c_3h_a2c:Ca-La-O-Ti,29.0,A2B4C18D5_hR87_166_c_2c_3h_a2c:Ca-La-O-Ti +mp-1247583,Ca4TiMn3O10,-7.9782265478,-2.8187362964,0.0763183883,0.0763183883,GGA+U,P1,A4B3C10D_aP36_1_8a_6a_20a_2a:Ca-Mn-O-Ti,36.0,A4B3C10D_aP36_1_8a_6a_20a_2a:Ca-Mn-O-Ti +mp-1247634,Ca4TiMn3O10,-7.9690699785,-2.8095797271,0.0854749576,0.0854749576,GGA+U,P1,A4B3C10D_aP72_1_16a_12a_40a_4a:Ca-Mn-O-Ti,72.0,A4B3C10D_aP72_1_16a_12a_40a_4a:Ca-Mn-O-Ti +mp-1247708,Ca8TiMn7O24,-7.7936701319,-2.6237969526,0.0400512002,0.0400512002,GGA+U,Pm,A8B7C24D_mP160_6_8a8b8c_14c_8a8b40c_2c:Ca-Mn-O-Ti,160.0,"Invalid WP multiplicities - A8B7C24D_mP160_6_8a8b16c_28c_8a8b80c_3c:Ca-Mn-O-Ti, expected Ca24Ti3Mn28O88 to be Ca8TiMn7O24" +mp-1247635,Ca8TiMn7O24,-7.7304768292,-2.56060365,0.1032445029,0.1032445029,GGA+U,Pm-3m,A8B7C24D_cP40_221_g_acd_efh_b:Ca-Mn-O-Ti,40.0,"Invalid WP multiplicities - A8B7C24D_cP40_221_g_a2c2d_5e5f6h_b:Ca-Mn-O-Ti, expected Ca8TiMn13O132 to be Ca8TiMn7O24" +mp-769557,LiMnNbO4,-8.4314939311,-2.5802084963,0.080271455,0.076146409,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Li-Mn-Nb-O,28.0,ABCD4_oI28_74_e_a_c_hi:Li-Mn-Nb-O +mp-771705,LiMnNbO4,-8.5117653861,-2.6604799513,0.0,-0.004125046,GGA+U,P4_322,ABCD4_tP28_95_a_c_b_2d:Li-Mn-Nb-O,28.0,ABCD4_tP28_95_a_c_b_2d:Li-Mn-Nb-O +mp-861271,LiMnNbO4,-8.4948002107,-2.6435147759,0.0169651754,0.0128401294,GGA+U,P4_322,ABCD4_tP28_95_a_b_c_2d:Li-Mn-Nb-O,28.0,ABCD4_tP28_95_a_b_c_2d:Li-Mn-Nb-O +mp-754724,Li2MnNbO4,-7.7782473031,-2.4197571893,0.1058278317,0.1058278317,GGA+U,Imma,A2BCD4_oI32_74_ac_b_d_hi:Li-Mn-Nb-O,16.0,"Invalid WP multiplicities - A2BCD4_oI32_74_2a2c_b_d_4h3i:Li-Mn-Nb-O, expected Li4MnNbO14 to be Li2MnNbO4" +mp-756491,Li4MnCu3O8,-5.8732580931000005,-1.5814558145,0.0798626794,0.0798626794,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Cu-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_ae_b_2c2h:Cu-Li-Mn-O, expected Li4MnCu3O16 to be Li4MnCu3O8" +mp-1311588,Li4Mn3NbO8,-7.6265347725,-2.3267502679,0.0672065114,0.0672065114,GGA+U,P1,A4B3CD8_aP16_1_4a_3a_a_8a:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_aP16_2_aefg_2b2c2d_h_7i:Li-Mn-Nb-O, expected Li4Mn6NbO14 to be Li4Mn3NbO8" +mp-1311406,Li4Mn3NbO8,-7.63235542,-2.3325709154,0.0613858639,0.0613858639,GGA+U,P1,A4B3CD8_aP32_1_8a_6a_2a_16a:Li-Mn-Nb-O,32.0,A4B3CD8_aP32_1_8a_6a_2a_16a:Li-Mn-Nb-O +mp-1305382,Li4Mn3NbO8,-7.62639512,-2.3266106154,0.0673461639,0.0673461639,GGA+U,P-1,A4B3CD8_aP16_2_abeh_cdf_g_4i:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_aP16_2_abeh_2c2d2f_g_7i:Li-Mn-Nb-O, expected Li4Mn6NbO14 to be Li4Mn3NbO8" +mp-1313407,Li4Mn3NbO8,-7.6326853906,-2.3329008861,0.0610558933,0.0610558933,GGA+U,P-1,A4B3CD8_aP32_2_abeh2i_cdfgi_i_8i:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_aP32_2_abch2i_abehi_i_15i:Li-Mn-Nb-O, expected Li4Mn3NbO15 to be Li4Mn3NbO8" +mp-1310474,Li4Mn3NbO8,-7.62746727,-2.3276827654,0.0662740139,0.0662740139,GGA+U,P-1,A4B3CD8_aP32_2_4i_abcefh_dg_8i:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_aP32_2_4i_abcefh_dg_12i:Li-Mn-Nb-O, expected Li4Mn3NbO12 to be Li4Mn3NbO8" +mp-1318717,Li4Mn3NbO8,-7.6230861106,-2.3233016061,0.0706551733,0.0706551733,GGA+U,P-1,A4B3CD8_aP32_2_acfh2i_bdegi_i_8i:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_aP32_2_3be2i_3afi_i_16i:Li-Mn-Nb-O, expected Li4Mn3NbO16 to be Li4Mn3NbO8" +mp-1396411,Li4Mn3NbO8,-7.2270700062,-1.9272855017,0.4666712777,0.4666712777,GGA+U,Cm,A4B3CD8_mC32_8_2ab_ab_a_4a2b:Li-Mn-Nb-O,16.0,A4B3CD8_mC32_8_2ab_ab_a_4a2b:Li-Mn-Nb-O +mp-1177385,Li4Mn3NbO8,-7.6179040781,-2.3181195736,0.0758372058,0.0758372058,GGA+U,C2/m,A4B3CD8_mC32_12_abf_ce_d_2ij:Li-Mn-Nb-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_abe_cf_d_4i3j:Li-Mn-Nb-O, expected Li4Mn3NbO20 to be Li4Mn3NbO8" +mp-1302578,Li4Mn3NbO8,-7.6308186778,-2.3310341733,0.0629226061,0.0629226061,GGA+U,P2/c,A4B3CD8_mP32_13_ac2f_bde_e_4g:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_mP32_13_2a2c2f_2bde_e_10g:Li-Mn-Nb-O, expected Li6Mn4NbO20 to be Li4Mn3NbO8" +mp-1304742,Li4Mn3NbO8,-7.6327105103,-2.3329260058,0.0610307736,0.0610307736,GGA+U,C2/c,A4B3CD8_mC64_15_cdf_abe_e_4f:Li-Mn-Nb-O,32.0,"Invalid WP multiplicities - A4B3CD8_mC64_15_abf_2c2d2e_e_8f:Li-Mn-Nb-O, expected Li4Mn6NbO16 to be Li4Mn3NbO8" +mp-756901,Li4Mn3NbO8,-7.6135690494,-2.3137845448,0.0801722345,0.0801722345,GGA+U,R3m,A4B3CD8_hR48_160_ab_b_a_2a2b:Li-Mn-Nb-O,16.0,"Invalid WP multiplicities - A4B3CD8_hR48_166_ae_d_b_2c2h:Li-Mn-Nb-O, expected Li4Mn3NbO16 to be Li4Mn3NbO8" +mp-771729,Li4Mn3NbO8,-7.6173418963,-2.3175573917,0.0763993877,0.0763993877,GGA+U,R-3m,A4B3CD8_hR48_166_ae_d_b_ch:Li-Mn-Nb-O,32.0,A4B3CD8_hR48_166_ae_d_b_ch:Li-Mn-Nb-O +mp-772148,Li4Mn5Nb3O16,-8.2602171546,-2.4424777822,0.0833205257,0.0833205257,GGA+U,P1,A4B5C3D16_aP28_1_4a_5a_3a_16a:Li-Mn-Nb-O,28.0,A4B5C3D16_aP28_1_4a_5a_3a_16a:Li-Mn-Nb-O +mp-780417,Li3MnNb4O12,-8.5310953665,-2.7983819371000003,0.0323619076,0.0323619076,GGA+U,P1,A3BC4D12_aP20_1_3a_a_4a_12a:Li-Mn-Nb-O,20.0,A3BC4D12_aP20_1_3a_a_4a_12a:Li-Mn-Nb-O +mp-756875,Li4NbCu3O8,-6.2059960269,-1.855488139,0.1020404886,0.1020404886,GGA,C2/m,A3B4CD8_mC32_12_af_cde_b_2ij:Cu-Li-Nb-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2e_cd2f_b_4i3j:Cu-Li-Nb-O, expected Li6Nb(CuO4)5 to be Li4NbCu3O8" +mp-764234,Li13Mn3Nb2O16,-6.7814494179,-2.3211061061,0.092192822,0.092192822,GGA+U,Cm,A13B3C2D16_mC68_8_7a3b_ab_2a_8a4b:Li-Mn-Nb-O,34.0,"Invalid WP multiplicities - A13B3C2D16_mC68_8_7a5b_ab_2a_8a8b:Li-Mn-Nb-O, expected Li17Mn3Nb2O24 to be Li13Mn3Nb2O16" +mp-849516,Li4Mn5(CuO6)2,-7.1094338746,-1.8483710136,0.0777448446,0.0777448446,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Cu-Li-Mn-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Cu-Li-Mn-O, expected Li8Mn10(CuO8)3 to be Li4Mn5(CuO6)2" +mp-1275582,Li2Mn3NbO8,-8.1229941368,-2.3388008268,0.0370670296,0.0370670296,GGA+U,P-1,A2B3CD8_aP28_2_2i_bcefi_i_8i:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B3CD8_aP28_2_3i_a2bdi_i_14i:Li-Mn-Nb-O, expected Li3Mn3NbO14 to be Li2Mn3NbO8" +mp-1287629,Li2Mn3NbO8,-8.11233442,-2.32814111,0.0477267464,0.0477267464,GGA+U,Cm,A2B3CD8_mC28_8_2a_ab_a_4a2b:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B3CD8_mC28_12_i_2c2e_a_3ij:Li-Mn-Nb-O, expected Li2Mn6NbO10 to be Li2Mn3NbO8" +mp-756486,Li2Mn3NbO8,-8.1446778611,-2.3604845511,0.0153833054,0.0153833054,GGA+U,Cc,A2B3CD8_mC56_9_2a_3a_a_8a:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B3CD8_mC56_9_3a_5a_a_14a:Li-Mn-Nb-O, expected Li3Mn5NbO14 to be Li2Mn3NbO8" +mp-1304290,Li2Mn3NbO8,-8.1243029129,-2.3401096029,0.0357582536,0.0357582536,GGA+U,C2/m,A2B3CD8_mC28_12_i_ae_c_2ij:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B3CD8_mC28_12_i_2ce_b_3i3j:Li-Mn-Nb-O, expected Li2Mn4NbO18 to be Li2Mn3NbO8" +mp-1301502,Li2Mn3NbO8,-8.1197440043,-2.3355506943,0.0403171621,0.0403171621,GGA+U,P2_1/c,A2B3CD8_mP28_14_e_ae_b_4e:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B3CD8_mP28_14_e_2a2e_b_8e:Li-Mn-Nb-O, expected Li2Mn6NbO16 to be Li2Mn3NbO8" +mp-754248,Li2Mn3NbO8,-8.0832205364,-2.2990272265,0.07684063,0.07684063,GGA+U,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Li-Mn-Nb-O,28.0,A2B3CD8_hR42_166_c_d_a_ch:Li-Mn-Nb-O +mp-774515,Li2Mn3NbO8,-8.095674052,-2.311480742,0.0643871145,0.0643871145,GGA+U,P4_332,A2B3CD8_cP56_212_c_d_a_ce:Li-Mn-Nb-O,56.0,"Invalid WP multiplicities - A2B3CD8_cP56_212_c_d_a_8c9e:Li-Mn-Nb-O, expected Li2Mn3NbO70 to be Li2Mn3NbO8" +mp-756973,Li3Mn(CuO3)2,-6.0382179208,-1.6409404625,0.0904116767,0.0904116767,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Cu-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_d_5i:Cu-Li-Mn-O, expected Li3Mn(CuO5)2 to be Li3Mn(CuO3)2" +mp-776319,LiNbCuO4,-7.3690958593,-2.241068799,0.1001122464,0.1001122464,GGA,P4_322,ABCD4_tP28_95_a_b_c_2d:Cu-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_b_c_3d:Cu-Li-Nb-O, expected LiNbCuO6 to be LiNbCuO4" +mp-774473,LiNbCuO4,-7.3575118921,-2.2294848319,0.1116962136,0.1116962136,GGA,P4_322,ABCD4_tP28_95_c_a_b_2d:Cu-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_c_a_b_3d:Cu-Li-Nb-O, expected LiNbCuO6 to be LiNbCuO4" +mp-753827,Li3Mn4CuO8,-7.30941514,-1.931443507,0.0740271281,0.0740271281,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Cu-Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_d2e_bcf_3i2j:Cu-Li-Mn-O, expected Li5Mn4CuO14 to be Li3Mn4CuO8" +mp-769514,Li9Mn12Cu3O32,-7.2040436068,-1.8876838197,0.0249526568,0.0249526568,GGA+U,R3,A3B9C12D32_hR168_146_b_3a2b_4b_2a10b:Cu-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B9C12D32_hR168_146_b_3a5b_10b_2a28b:Cu-Li-Mn-O, expected Li18Mn30Cu3O86 to be Li9Mn12Cu3O32" +mp-756390,Li3MnCu3O8,-5.9155971233,-1.4649362172,0.0729301406,0.0729301406,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Cu-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_2c2h:Cu-Li-Mn-O, expected Li3MnCu3O16 to be Li3MnCu3O8" +mp-1273241,Li2MnCuO4,-6.3976321888,-1.7894043712,0.0820150587,0.0820150587,GGA+U,Cm,AB2CD4_mC32_8_2a_4a_2a_8a:Cu-Li-Mn-O,16.0,AB2CD4_mC32_8_2a_4a_2a_8a:Cu-Li-Mn-O +mp-776054,Li2MnCuO4,-6.3976084894,-1.7893806718,0.0820387581,0.0820387581,GGA+U,C2/c,AB2CD4_mC32_15_c_ad_b_2f:Cu-Li-Mn-O,16.0,AB2CD4_mC32_15_a_bc_d_2f:Cu-Li-Mn-O +mp-755371,Li2MnCuO4,-6.4085291088,-1.8003012912,0.0711181387,0.0711181387,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Cu-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_bc_d_2e2f:Cu-Li-Mn-O, expected Li2MnCuO8 to be Li2MnCuO4" +mp-764735,Li5Mn2Cu5O12,-6.0553789875,-1.5668397041,0.0798813571,0.0798813571,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Cu-Li-Mn-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Cu-Li-Mn-O, expected Li9Mn2Cu5O12 to be Li5Mn2Cu5O12" +mp-755903,Li2Mn2CuO6,-6.8503836455,-1.7666368041,0.1088953245,0.1088953245,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Cu-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_64_a_e_d_2f3g:Cu-Li-Mn-O, expected Li2Mn2CuO16 to be Li2Mn2CuO6" +mp-756927,Li5Nb2Cu5O12,-6.4703970454,-1.9035836163,0.1121805823,0.1121805823,GGA,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Cu-Li-Nb-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Cu-Li-Nb-O, expected Li9Nb2Cu5O12 to be Li5Nb2Cu5O12" +mp-757232,Li3Mn2CuO6,-6.7187130079,-1.8995348311,0.0713734519,0.0713734519,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Cu-Li-Mn-O,24.0,AB3C2D6_mC24_12_a_di_i_3i:Cu-Li-Mn-O +mp-773500,LiMnCuO4,-6.6270900193,-1.6332472088,0.0036463491,0.0036463491,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Cu-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h3i:Cu-Li-Mn-O, expected LiMnCuO10 to be LiMnCuO4" +mp-849474,Li2Mn5(CuO6)2,-7.3180702057,-1.7377559167,0.0843133345,0.0843133345,GGA+U,P2_1,A2B2C5D12_mP42_4_2a_2a_5a_12a:Cu-Li-Mn-O,42.0,"Invalid WP multiplicities - A2B2C5D12_mP42_4_3a_4a_10a_24a:Cu-Li-Mn-O, expected Li4Mn10(CuO8)3 to be Li2Mn5(CuO6)2" +mp-754267,Li2MnCu3O8,-5.985310945,-1.3530973218,0.0295288798,0.0295288798,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cu-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2ch:Cu-Li-Mn-O, expected Li2MnCu3O10 to be Li2MnCu3O8" +mp-760025,Li2MnCu3O8,-5.9837233712,-1.351509748,0.0311164535,0.0311164535,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Cu-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Cu-Li-Mn-O, expected Li2MnCu3O70 to be Li2MnCu3O8" +mp-756860,LiMn5(CuO6)2,-7.4221529415,-1.6582690814,0.0706007139,0.0706007139,GGA+U,C2,A2BC5D12_mC40_5_ab_a_a2bc_6c:Cu-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BC5D12_mC40_5_ab_a_a2bc_12c:Cu-Li-Mn-O, expected LiMn5(CuO12)2 to be LiMn5(CuO6)2" +mp-753851,Li4Mn5CuO12,-7.2066047491,-1.8927302431,0.1043162382,0.1043162382,GGA+U,C2,AB4C5D12_mC44_5_a_2c_2a3b_6c:Cu-Li-Mn-O,22.0,AB4C5D12_aP22_1_a_4a_5a_12a:Cu-Li-Mn-O +mp-1177346,Li4Mn5CuO12,-7.0980201718,-1.7841456658,0.2129008155,0.2129008155,GGA+U,C2/m,AB4C5D12_mC44_12_a_j_dgh_2i2j:Cu-Li-Mn-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_12_a_j_cg2h_4i5j:Cu-Li-Mn-O, expected Li4Mn7CuO28 to be Li4Mn5CuO12" +mp-752865,Li4Mn5Cu3O16,-6.8706392511,-1.6959818469,0.061296887,0.061296887,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Cu-Li-Mn-O, expected Li4Mn5Cu3O20 to be Li4Mn5Cu3O16" +mp-772110,Li4Mn3Nb5O16,-8.4922131979,-2.6073817006,0.0928633795,0.0928633795,GGA+U,Cm,A4B3C5D16_mC56_8_4a_ab_3ab_8a4b:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A4B3C5D16_mC56_8_4a_ab_3ab_8a6b:Li-Mn-Nb-O, expected Li4Mn3Nb5O20 to be Li4Mn3Nb5O16" +mp-756259,Li4Mn5NbO12,-7.7991924195,-2.2124952604,0.0881674041,0.0881674041,GGA+U,C2/m,A4B5CD12_mC44_12_j_agh_d_2i2j:Li-Mn-Nb-O,44.0,"Invalid WP multiplicities - A4B5CD12_mC44_12_j_a2gh_d_2i2j:Li-Mn-Nb-O, expected Li4Mn7NbO12 to be Li4Mn5NbO12" +mp-755312,Li5Nb2Cu3O10,-6.729495428,-2.1539088512,0.0763219693,0.0763219693,GGA,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Cu-Li-Nb-O,20.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_bi_d4i_i_9i:Cu-Li-Nb-O, expected Li9Nb2(CuO6)3 to be Li5Nb2Cu3O10" +mp-755123,Li5Mn3Nb2O10,-7.7683669942,-2.4333591241,0.0599390856,0.0599390856,GGA+U,P-1,A5B3C2D10_aP20_2_b2i_ei_i_5i:Li-Mn-Nb-O,40.0,"Invalid WP multiplicities - A5B3C2D10_aP20_2_b2i_2e2i_i_5i:Li-Mn-Nb-O, expected Li5Mn6Nb2O10 to be Li5Mn3Nb2O10" +mp-773427,Li4Mn3CuO8,-6.8575966069,-1.9329432504,0.0877094591,0.0877094591,GGA+U,R-3m,AB4C3D8_hR48_166_a_bd_e_ch:Cu-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_bd_e_2c2h:Cu-Li-Mn-O, expected Li4Mn3CuO16 to be Li4Mn3CuO8" +mp-849464,Li3Mn5(CuO6)2,-7.2130661823,-1.7996333216,0.0830527591,0.0830527591,GGA+U,C2,A2B3C5D12_mC44_5_ab_ac_a2bc_6c:Cu-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C5D12_mC44_5_ab_ac_a2bc_12c:Cu-Li-Mn-O, expected Li3Mn5(CuO12)2 to be Li3Mn5(CuO6)2" +mp-770974,Li4Mn3Nb2Cu3O16,-7.2847570029,-2.0430074738,0.0645727515,0.0645727515,GGA+U,P1,A3B4C3D2E16_aP28_1_3a_4a_3a_2a_16a:Cu-Li-Mn-Nb-O,28.0,A3B4C3D2E16_aP28_1_3a_4a_3a_2a_16a:Cu-Li-Mn-Nb-O +mp-1222641,Li3Nb4CuO12,-8.203126923,-2.7235539248,0.0319381029,0.0319381029,GGA,P1,AB3C4D12_aP20_1_a_3a_4a_12a:Cu-Li-Nb-O,20.0,AB3C4D12_aP20_1_a_3a_4a_12a:Cu-Li-Nb-O +mp-775209,Li2MnNb3O8,-8.5484110429,-2.6300334832,0.1099767258,0.1099767258,GGA+U,R3m,A2BC3D8_hR42_160_2a_a_b_2a2b:Li-Mn-Nb-O,14.0,A2BC3D8_hR42_160_2a_a_b_2a2b:Li-Mn-Nb-O +mp-752436,Li2MnNb3O8,-8.5510266829,-2.6326491232,0.1073610858,0.1073610858,GGA+U,P6_3mc,A2BC3D8_hP28_186_ab_b_c_ab2c:Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2BC3D8_hP28_186_a2b_b_c_a2b9c:Li-Mn-Nb-O, expected Li3MnNb3O30 to be Li2MnNb3O8" +mp-773062,Li2Mn3CuO8,-7.221906503,-1.8664345052,0.0061929355,0.0061929355,GGA+U,P1,AB2C3D8_aP56_1_4a_8a_12a_32a:Cu-Li-Mn-O,56.0,AB2C3D8_aP56_1_4a_8a_12a_32a:Cu-Li-Mn-O +mp-772456,Li2Mn3CuO8,-7.1762553254,-1.8207833275,0.0518441132,0.0518441132,GGA+U,Cc,AB2C3D8_mC56_9_a_2a_3a_8a:Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mC56_9_a_3a_5a_14a:Cu-Li-Mn-O, expected Li3Mn5CuO14 to be Li2Mn3CuO8" +mp-775165,Li2Mn3CuO8,-7.2062542382,-1.8507822404,0.0218452003,0.0218452003,GGA+U,P2_12_12_1,AB2C3D8_oP56_19_a_2a_3a_8a:Cu-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_oP56_19_a_5a_9a_29a:Cu-Li-Mn-O, expected Li5Mn9CuO29 to be Li2Mn3CuO8" +mp-849420,Li2Mn3CuO8,-7.1885061821,-1.8330341843,0.0395932564,0.0395932564,GGA+U,R3m,AB2C3D8_hR42_160_a_2a_b_2a2b:Cu-Li-Mn-O,14.0,AB2C3D8_hR42_160_a_2a_b_2a2b:Cu-Li-Mn-O +mp-756596,Li2Mn3CuO8,-7.2093820964,-1.8539100986,0.0187173421,0.0187173421,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Cu-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2ch:Cu-Li-Mn-O, expected Li2Mn3CuO10 to be Li2Mn3CuO8" +mp-849495,Li4Mn2Cu3O10,-6.2397602811,-1.6226955877,0.0741777742,0.0741777742,GGA+U,P-1,A3B4C2D10_aP19_2_ai_2i_i_5i:Cu-Li-Mn-O,19.0,"Invalid WP multiplicities - A3B4C2D10_aP19_2_ai_3i_i_9i:Cu-Li-Mn-O, expected Li6Mn2(CuO6)3 to be Li4Mn2Cu3O10" +mp-755755,Li3Nb(CuO2)4,-6.1983507244,-1.7109500987,0.1196319117,0.1196319117,GGA,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Cu-Li-Nb-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ace_df_b_4i2j:Cu-Li-Nb-O, expected Li3Nb(CuO4)4 to be Li3Nb(CuO2)4" +mp-773172,Li7Mn12Cu5O32,-7.2044218836,-1.809837675,0.02128772,0.02128772,GGA+U,R3,A5B7C12D32_hR168_146_2ab_a2b_4b_2a10b:Cu-Li-Mn-O,56.0,"Invalid WP multiplicities - A5B7C12D32_hR168_146_2ab_a4b_10b_2a28b:Cu-Li-Mn-O, expected Li13Mn30Cu5O86 to be Li7Mn12Cu5O32" +mp-755409,Li5Mn2Cu3O10,-6.2223093043,-1.7406517023,0.0467273532,0.0467273532,GGA+U,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Cu-Li-Mn-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_2b2i_d2i_i_5i:Cu-Li-Mn-O, expected Li5Mn2(Cu3O5)2 to be Li5Mn2Cu3O10" +mp-760337,Li16Mn15(CuO12)3,-7.0989711224,-1.9796652815,0.0678637898,0.0678637898,GGA+U,P1,A3B16C15D36_aP70_1_3a_16a_15a_36a:Cu-Li-Mn-O,70.0,A3B16C15D36_aP70_1_3a_16a_15a_36a:Cu-Li-Mn-O +mp-1045463,Ba2MgCu3F14,-5.024646342,-2.7998185678,0.0,-0.0719848807,GGA,P-1,A2B3C14D_aP40_2_2i_ab2i_14i_i:Ba-Cu-F-Mg,40.0,"Invalid WP multiplicities - A2B3C14D_aP40_2_4i_ab2i_27i_i:Ba-Cu-F-Mg, expected Ba4MgCu3F27 to be Ba2MgCu3F14" +mp-1041212,BaMgCuF7,-5.2010650545,-3.1011836113,0.0,-0.0509206882,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Cu-F-Mg,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Cu-F-Mg, expected BaMgCuF23 to be BaMgCuF7" +mp-1358843,Ba2MgCo2CuF14,-5.462570104,-2.9368312172,0.0281528722,0.0281528722,GGA+U,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ba-Co-Cu-F-Mg,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ba-Co-Cu-F-Mg, expected Ba2MgCo2CuF48 to be Ba2MgCo2CuF14" +mp-1047866,BaMgCoF7,-5.6282316990000005,-3.2274391432,0.0341736398,0.0341736398,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Co-F-Mg,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Co-F-Mg, expected BaMgCoF23 to be BaMgCoF7" +mp-1201175,LiBeAsO5,-6.1763453669,-1.7962331553,0.2218890995,0.2218890995,GGA,Pna2_1,ABCD5_oP32_33_a_a_a_5a:As-Be-Li-O,32.0,ABCD5_oP32_33_a_a_a_5a:As-Be-Li-O +mp-1211024,Li2BeAs2,-3.1674894,0.2076096817,0.6913587342,0.6913587342,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:As-Be-Li,5.0,A2BC2_tP5_123_g_a_g:As-Be-Li +mp-9562,LiBeAs,-3.9178650717,-0.4820470261,0.0,-0.1578456313,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Be-Li,6.0,ABC_tP6_129_c_a_c:As-Be-Li +mp-982975,LiBeO3,-5.445053,-1.3473726269,0.5701234884,0.5701234884,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Li-O,5.0,ABC3_cP5_221_b_a_c:Be-Li-O +mp-1211214,Li4Be3As3BrO12,-6.4143102741,-2.3384590506,0.0,-0.0693007293,GGA,P-43n,A3B3CD4E12_cP46_218_c_d_a_e_i:As-Be-Br-Li-O,46.0,A3B3CD4E12_cP46_218_c_d_a_e_i:As-Be-Br-Li-O +mp-1517911,NdEuHf4O12,-9.8539565922,-3.5087249318,0.1730044469,0.1730044469,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Hf-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Hf-Nd-O, expected NdEuHf4O18 to be NdEuHf4O12" +mp-1190845,Nd2Hf2O7,-9.8068484468,-3.9816217283,0.0,-0.0693027275,GGA,Fd-3m,A2B2C7_cF88_227_d_c_af:Hf-Nd-O,22.0,A2B2C7_cF88_227_d_c_af:Hf-Nd-O +mp-1519733,NdEuHfMnO6,-9.571321417,-3.1888728348,0.1966037995,0.1966037995,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Eu-Hf-Mn-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Eu-Hf-Mn-Nd-O +mp-1210644,NdHfO14,-5.8406117116,-0.5919255603,0.7767569088,0.7767569088,GGA,Fd-3m,ABC14_cF128_227_b_a_cg:Hf-Nd-O,32.0,ABC14_cF128_227_b_a_cg:Hf-Nd-O +mp-1214933,Ba4Gd(CuO3)3,-6.9926192,-2.3708638817,0.0,-0.0082241883,GGA,Pm-3n,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Gd-O,34.0,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Gd-O +mp-19813,Ba2GdCu3O7,-7.1586163208,-2.1710383893,0.0282650169,0.0282650169,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Gd-O,13.0,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Gd-O +mp-1228407,Ba4PrGd(Cu3O7)2,-6.7840177981,-2.153948193,0.0335117883,0.0335117883,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Gd-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Gd-O-Pr, expected Ba8PrGd(Cu5O13)2 to be Ba4PrGd(Cu3O7)2" +mp-1182677,BaGd2CuO5,-9.5691190814,-3.0242446763,0.0258974053,0.0258974053,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Gd-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Gd-O +mp-1229327,Ba8Gd4(Cu4O9)3,-7.1710742386,-2.1826945578,0.0275089789,0.0275089789,GGA,C2/m,A8B12C4D27_mC102_12_4i_eg2j_cdi_a5i4j:Ba-Cu-Gd-O,51.0,"Invalid WP multiplicities - A8B12C4D27_mC102_12_8i_eh3j_abi_c9i7j:Ba-Cu-Gd-O, expected Ba16Gd4Cu16O47 to be Ba8Gd4(Cu4O9)3" +mp-1214720,Ba2Gd(CuO2)4,-6.9708903313,-2.0452630987,0.0,-0.0167937488,GGA,Cmmm,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Gd-O,15.0,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Gd-O +mp-554837,Ba3LiIr2O9,-6.8452472363,-2.1877196065,0.0,-0.0711247017,GGA,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Li-O,30.0,"Invalid WP multiplicities - A3B2CD9_hP30_194_2b2f_f_a_4h5k:Ba-Ir-Li-O, expected Ba6Li(IrO21)2 to be Ba3LiIr2O9" +mp-867806,LiLa2Ir,-5.53331479,-0.3784719758,0.0892470421,0.0892470421,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-La-Li,4.0,AB2C_cF16_225_a_c_b:Ir-La-Li +mp-561089,Ba3LaIr2O9,-7.354834406,-2.4955011603,0.0,-0.0124635055,GGA,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Ba-Ir-La-O,30.0,"Invalid WP multiplicities - A3B2CD9_mC60_15_e2f_f_c_2e12f:Ba-Ir-La-O, expected Ba5La(IrO13)2 to be Ba3LaIr2O9" +mp-1182400,Ba3LaIr2O9,-7.3544916207,-2.4951583749,0.0003427853,-0.0121207201,GGA,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-La-O,30.0,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-La-O +mp-11992,LiLa2IrO6,-7.8056474525,-2.7756971001,0.0,-0.061470779,GGA,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-La-Li-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_4e:Ir-La-Li-O, expected LiLa2IrO8 to be LiLa2IrO6" +mp-1228761,Ba4Li(IrO4)3,-6.9088203693,-2.1358008843,0.0109585193,0.0109585193,GGA,C2/m,A4B3CD12_mC120_12_6i_a4i_di_6i6j:Ba-Ir-Li-O,60.0,"Invalid WP multiplicities - A4B3CD12_mC120_12_9i_a6i_ci_12i21j:Ba-Ir-Li-O, expected Ba18Li3Ir13O108 to be Ba4Li(IrO4)3" +mp-15889,Ba2LaIrO6,-7.441869428,-2.7126170847,0.0,-0.0511230907,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-Ir-La-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-Ir-La-O +mp-1188273,Ba2LaIrO6,-7.439893736,-2.7106413928,0.001975692,-0.0491473987,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ba-Ir-La-O,20.0,A2BCD6_mP20_14_e_a_d_3e:Ba-Ir-La-O +mp-550081,Ba2LaIrO6,-7.441750021,-2.7124976778,0.000119407,-0.0510036837,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:Ba-Ir-La-O,10.0,A2BCD6_hR30_148_c_a_b_f:Ba-Ir-La-O +mp-1080123,Ba2LaIrO6,-7.439511276,-2.7102589328,0.002358152,-0.0487649387,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-La-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-La-O +mp-1235628,Ba2LiLaIrO6,-6.9767285336,-2.5038697792,0.1321936068,0.1321936068,GGA,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Ir-La-Li-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Ir-La-Li-O +mp-1235349,Ba2LiLaIrO6,-6.9564683736,-2.4836096192,0.1524537668,0.1524537668,GGA,P-1,A2BCDE6_aP11_2_i_c_d_a_3i:Ba-Ir-La-Li-O,11.0,"Invalid WP multiplicities - A2BCDE6_aP11_2_i_c_d_a_6i:Ba-Ir-La-Li-O, expected Ba2LiLaIrO12 to be Ba2LiLaIrO6" +mp-1235355,Ba2LiLaIrO6,-6.9966219291,-2.5237631746,0.1123002114,0.1123002114,GGA,R3,A2BCDE6_hR33_146_2a_a_a_a_2b:Ba-Ir-La-Li-O,11.0,A2BCDE6_hR33_146_2a_a_a_a_2b:Ba-Ir-La-Li-O +mp-1208975,Sr2CaNbO6,-7.5962013223,-3.0795989128,0.0560197027,0.0560197027,GGA,P4/mnc,ABC6D2_tP20_128_a_b_eh_d:Ca-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_tP20_128_a_b_2e3h_d:Ca-Nb-O-Sr, expected Sr2CaNbO16 to be Sr2CaNbO6" +mp-1523005,SrCaGdNbO6,-9.1400102625,-3.3847449744,0.0726205587,0.0726205587,GGA,P-4n2,ABCD6E_tP20_118_c_a_b_ei_d:Ca-Gd-Nb-O-Sr,20.0,ABCD6E_tP20_118_c_a_b_ei_d:Ca-Gd-Nb-O-Sr +mp-1522834,SrCaGdNbO6,-9.040132049,-3.2848667609,0.1724987722,0.1724987722,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Gd-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Gd-Nb-O-Sr +mp-1518774,Sr2GdNbO6,-9.1389814075,-3.4153267621,0.0234097497,0.0234097497,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Gd-Nb-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Gd-Nb-O-Sr +mp-1518802,Sr2GdNbO6,-9.081989598,-3.3583349526,0.0804015592,0.0804015592,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Gd-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Gd-Nb-O-Sr +mp-1519971,SrCaNb4O12,-8.9059575767,-3.1581476862,0.0804907571,0.0804907571,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Nb-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Nb-O-Sr, expected SrCaNb4O18 to be SrCaNb4O12" +mp-1218418,Sr3Se2(ClO3)2,-5.9672664131,-2.4720734206,0.0,-0.0217746485,GGA,C2,A2B6C2D3_mC26_5_c_3c_c_ac:Cl-O-Se-Sr,13.0,"Invalid WP multiplicities - A2B6C2D3_mC26_5_c_4c_c_ac:Cl-O-Se-Sr, expected Sr3Se2(ClO4)2 to be Sr3Se2(ClO3)2" +mp-554805,Sr3Se3(ClO4)2,-5.9202987077,-2.243623845,0.0,-0.0073109983,GGA,Pnma,A2B8C3D3_oP64_62_2c_2c3d_3c_3c:Cl-O-Se-Sr,64.0,"Invalid WP multiplicities - A2B8C3D3_oP64_62_6c_7c15d_9c_8c:Cl-O-Se-Sr, expected Sr8Se9Cl6O37 to be Sr3Se3(ClO4)2" +mp-553947,Sr2NiSe2(ClO3)2,-5.8785999492,-2.0687420931,0.0,-0.0031126934,GGA+U,P2_1/c,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Ni-O-Se-Sr,52.0,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Ni-O-Se-Sr +mp-1105005,Ni3Se4(ClO5)2,-5.6809121547,-1.2341744504,0.0,-0.01373136,GGA+U,C2/m,A2B3C10D4_mC38_12_i_ah_h2j_j:Cl-Ni-O-Se,38.0,"Invalid WP multiplicities - A2B3C10D4_mC38_12_i_2a2h_h2j_j:Cl-Ni-O-Se, expected Ni3Se2ClO5 to be Ni3Se4(ClO5)2" +mp-1194096,Sr2Ni(SeO3)3,-6.2626953137,-1.9848915523,0.0,-0.0215971353,GGA+U,P-1,AB9C3D2_aP30_2_i_9i_3i_2i:Ni-O-Se-Sr,60.0,AB9C3D2_aP30_2_i_9i_3i_2i:Ni-O-Se-Sr +mp-1283966,Sr2NiClO3,-6.0310522857,-2.3385199457,0.0086026436,0.0086026436,GGA+U,Pmma,ABC3D2_oP28_51_ef_ef_efl_2e2f:Cl-Ni-O-Sr,28.0,"Invalid WP multiplicities - ABC3D2_oP28_51_2ef_e2f_2efl_2e4f:Cl-Ni-O-Sr, expected Sr6Ni3Cl3O7 to be Sr2NiClO3" +mp-1291861,Sr2NiClO3,-6.0312471293,-2.3387147892,0.0084078001,0.0084078001,GGA+U,Imma,ABC3D2_oI56_74_2e_2e_2ej_4e:Cl-Ni-O-Sr,28.0,"Invalid WP multiplicities - ABC3D2_oI56_74_3e_3e_3ej_6e:Cl-Ni-O-Sr, expected Sr6Ni3Cl3O7 to be Sr2NiClO3" +mp-1104703,Sr2NiClO3,-6.0373913129,-2.3448589728,0.0022636165,0.0022636165,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:Cl-Ni-O-Sr,28.0,ABC3D2_tP14_129_c_c_cf_2c:Cl-Ni-O-Sr +mp-1194971,Ni5Se4(ClO6)2,-5.8744742774,-1.2683148354,0.0,-0.0368278639,GGA+U,P-1,A2B5C12D4_aP46_2_2i_5i_12i_4i:Cl-Ni-O-Se,46.0,A2B5C12D4_aP46_2_2i_5i_12i_4i:Cl-Ni-O-Se +mp-1228088,Ba4SrHf5O15,-9.118754262,-3.7846875007,0.0080379666,0.0080379666,GGA,R-3m,A4B5C15D_hR75_166_2c_a2c_d2h_b:Ba-Hf-O-Sr,25.0,"Invalid WP multiplicities - A4B5C15D_hR75_166_3c_a4c_3d8h_b:Ba-Hf-O-Sr, expected Ba6SrHf9O57 to be Ba4SrHf5O15" +mp-1516483,BaSrHf4O12,-8.9753300011,-3.2643583873,0.187303929,0.187303929,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ba-Hf-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ba-Hf-O-Sr, expected BaSrHf4O18 to be BaSrHf4O12" +mp-1522455,BaSrCeHfO6,-8.59109965,-3.6732117654,0.032911532,0.032911532,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Ce-Hf-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Ce-Hf-O-Sr, expected BaSrCeHfO12 to be BaSrCeHfO6" +mp-1522444,BaSrCeHfO6,-8.5868106673,-3.6689227827,0.0372005147,0.0372005147,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Ce-Hf-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Ce-Hf-O-Sr +mp-1522393,BaSrCeHfO6,-8.55123571,-3.6333478254,0.072775472,0.072775472,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Hf-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Hf-O-Sr +mp-1518549,Ba2CeHfO6,-8.6092380713,-3.668402038,0.0210231118,0.0210231118,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Ce-Hf-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Ce-Hf-O +mp-1518368,Ba2CeHfO6,-8.607437084,-3.6666010507,0.022824099,0.022824099,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Hf-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Hf-O +mp-1520500,Sr2CeHfO6,-8.5637444855,-3.6688047496,0.050437148,0.050437148,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Ce-Hf-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Ce-Hf-O-Sr +mp-1520596,Sr2CeHfO6,-8.499054086,-3.6041143501,0.1151275475,0.1151275475,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Hf-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Hf-O-Sr +mp-1519537,BaSrCe2O6,-8.107839551,-3.5923616539000003,0.015708766,0.015708766,GGA,P2_1/m,AB2C6D_mP20_11_e_ad_2e2f_e:Ba-Ce-O-Sr,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_e_2a2c_4e8f_e:Ba-Ce-O-Sr, expected BaSrCe4O20 to be BaSrCe2O6" +mp-1519751,BaSrCe2O6,-8.069860223,-3.5543823259,0.053688094,0.053688094,GGA,Cmmm,AB2C6D_oC20_65_a_f_ehj_b:Ba-Ce-O-Sr,10.0,AB2C6D_oC20_65_a_f_ehj_b:Ba-Ce-O-Sr +mp-1519731,BaSrCe2O6,-8.014946609,-3.4994687119,0.108601708,0.108601708,GGA,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:Ba-Ce-O-Sr,10.0,"Invalid WP multiplicities - AB2C6D_tP10_123_c_g_ab2i_d:Ba-Ce-O-Sr, expected BaSrCe2O10 to be BaSrCe2O6" +mp-1519519,BaSrCe4O12,-7.8640752411,-3.047348044,0.3017505544,0.3017505544,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ba-Ce-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ba-Ce-O-Sr, expected BaSrCe4O18 to be BaSrCe4O12" +mp-1218336,SrCaZn2,-1.7765416850000002,-0.2228965467,0.0052591094,0.0052591094,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Ca-Sr-Zn,8.0,ABC2_oP8_26_a_b_ab:Ca-Sr-Zn +mp-1097624,SrCaZn2,-0.3479962275,1.2056489108,1.4338045669,1.4338045669,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Sr-Zn,4.0,ABC2_oI8_71_a_b_e:Ca-Sr-Zn +mp-1516863,SrZn(SeO3)2,-5.706473068,-1.7443538394,0.1657465789,0.1657465789,GGA,Pmc2_1,A6B2CD_oP20_26_ab2c_c_a_b:O-Se-Sr-Zn,,"Invalid WP multiplicities - A6B2CD_oP20_26_2ab6c_c_a_b:O-Se-Sr-Zn, expected SrZnSe2O15 to be SrZn(SeO3)2" +mp-1084796,CaZn3Se4,-3.61940206,-1.1483424824,0.129907735,0.129907735,GGA,P-43m,AB4C3_cP8_215_a_e_c:Ca-Se-Zn,8.0,AB4C3_cP8_215_a_e_c:Ca-Se-Zn +mp-1516822,SrZn(SeO3)4,-5.3899953367,-1.1514871417,0.4032831222,0.4032831222,GGA,Amm2,A12B4CD_oC36_38_2cdef_f_a_b:O-Se-Sr-Zn,18.0,"Invalid WP multiplicities - A12B4CD_oC36_38_3c2d2ef_f_a_b:O-Se-Sr-Zn, expected SrZn(Se2O9)2 to be SrZn(SeO3)4" +mp-1079594,Ca3ZnSe4,-4.3445706675,-1.6870470224,0.2445815675,0.2445815675,GGA,P-43m,A3B4C_cP8_215_c_e_a:Ca-Se-Zn,8.0,A3B4C_cP8_215_c_e_a:Ca-Se-Zn +mp-1018089,CaZnSe2,-3.965686735,-1.4013951237,0.20354428,0.20354428,GGA,P-4m2,AB2C_tP4_115_a_g_c:Ca-Se-Zn,4.0,AB2C_tP4_115_a_g_c:Ca-Se-Zn +mp-553248,CsLaNb2O7,-8.7113600545,-3.1967381877,0.033167479,0.033167479,GGA,P4/mmm,ABC2D7_tP11_123_b_a_h_chi:Cs-La-Nb-O,11.0,"Invalid WP multiplicities - ABC2D7_tP11_123_b_a_h_c2hi:Cs-La-Nb-O, expected CsLaNb2O9 to be CsLaNb2O7" +mp-1030982,CsLaMg6O8,-5.8744518131,-2.4365393464,0.5835431131000001,0.5835431131000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cs-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cs-La-Mg-O, expected CsLaMg6O12 to be CsLaMg6O8" +mp-2218221,CsLaMgNb2O7,-7.5243099133,-2.3358831978,0.7495832529,0.7495832529,GGA,Pmmm,ABCD2E7_oP12_47_d_c_a_k_eikl:Cs-La-Mg-Nb-O,12.0,"Invalid WP multiplicities - ABCD2E7_oP12_47_d_c_a_k_e2i2k2l:Cs-La-Mg-Nb-O, expected CsLaMgNb2O13 to be CsLaMgNb2O7" +mp-2218137,CsLaMgNb2O7,-7.9755516858,-2.7871249703,0.2983414804,0.2983414804,GGA,P4mm,ABCD2E7_tP12_99_a_a_a_2b_3b2c:Cs-La-Mg-Nb-O,12.0,ABCD2E7_tP12_99_a_a_a_2b_3b2c:Cs-La-Mg-Nb-O +mp-1017484,LaMg6Nb,-2.8855007206,0.194373335,0.2682626397,0.2682626397,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Nb, expected LaMg12Nb to be LaMg6Nb" +mp-1021155,LaMg6Nb,-2.8972229444,0.1826511112,0.2565404159,0.2565404159,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Nb, expected LaMg12Nb to be LaMg6Nb" +mp-1026627,CsMg14Nb,-1.8106551031,0.2768841539,0.2913759653,0.2913759653,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Nb, expected CsMg18Nb to be CsMg14Nb" +mp-1026591,CsMg14Nb,-1.8332921869,0.2542470701,0.2687388816,0.2687388816,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Nb, expected CsMg26Nb to be CsMg14Nb" +mp-1026780,CsLaMg14,-1.6104760431,0.1542320929,0.1939749006,0.1939749006,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-La-Mg, expected CsLaMg18 to be CsLaMg14" +mp-1026767,CsLaMg14,-1.6122385569,0.1524695792,0.1922123869,0.1922123869,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-La-Mg, expected CsLaMg26 to be CsLaMg14" +mp-1017072,CsMg6Nb,-2.0526222144,0.5221762496,0.5345978023,0.5345978023,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Nb, expected CsMg12Nb to be CsMg6Nb" +mp-1017109,CsMg6Nb,-2.1713657763,0.4034326878,0.4158542404,0.4158542404,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Cs-Mg-Nb,8.0,AB6C_tP8_123_a_fk_c:Cs-Mg-Nb +mp-1035572,CsLaMg14O16,-6.0053379503,-2.6496395267,0.3874218528,0.3874218528,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cs-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cs-La-Mg-O, expected CsLaMg18O20 to be CsLaMg14O16" +mp-1034853,CsLaMg14O16,-6.0441126441,-2.6884142204,0.3486471591,0.3486471591,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cs-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cs-La-Mg-O, expected CsLaMg30O32 to be CsLaMg14O16" +mp-1017492,CsLaMg6,-1.680677885,0.2484583371,0.3223476418,0.3223476418,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-La-Mg, expected CsLaMg12 to be CsLaMg6" +mp-1021161,CsLaMg6,-1.7166991588,0.2124370634,0.286326368,0.286326368,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:Cs-La-Mg +mp-1211365,La2MgNbO6,-8.568148244,-3.4427750872000003,0.0535227984,0.0535227984,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:La-Mg-Nb-O,20.0,A2BCD6_mP20_14_e_a_b_3e:La-Mg-Nb-O +mp-1211235,La2MgNbO6,-8.438101855,-3.3127286982,0.1835691874,0.1835691874,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:La-Mg-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:La-Mg-Nb-O +mp-1039992,CsLaMg30O32,-6.1996793084,-2.8850879063,0.1604629331,0.1604629331,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cs-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cs-La-Mg-O, expected CsLaMg110O72 to be CsLaMg30O32" +mp-1040015,CsLaMg30O32,-6.1786481975,-2.8640567954,0.1814940441,0.1814940441,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cs-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cs-La-Mg-O, expected CsLaMg90O80 to be CsLaMg30O32" +mp-1026756,LaMg14Nb,-2.2536498556,0.0864271972,0.1321737553,0.1321737553,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Nb, expected LaMg18Nb to be LaMg14Nb" +mp-1026748,LaMg14Nb,-2.2232911938,0.1167858591,0.1625324172,0.1625324172,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Nb, expected LaMg26Nb to be LaMg14Nb" +mp-1223356,La3Mg2NbO9,-8.2602702893,-3.4182646323,0.1274071678,0.1274071678,GGA,Immm,A3B2CD9_oI60_71_fn_abg_h_e3ln:La-Mg-Nb-O,30.0,"Invalid WP multiplicities - A3B2CD9_oI60_71_2f2n_abg_h_2e12l2n:La-Mg-Nb-O, expected La6Mg2NbO30 to be La3Mg2NbO9" +mp-631336,LaMgNb2,-6.04176464,0.6429596687,0.698060805,0.698060805,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Mg-Nb,4.0,ABC2_cF16_225_a_b_c:La-Mg-Nb +mp-1213716,Cs2LaNb2O7,-8.1033611442,-2.9736742352,0.0020632906,0.0020632906,GGA,Cmcm,A2BC2D7_oC48_63_g_c_g_c2eg:Cs-La-Nb-O,24.0,A2BC2D7_oC48_63_g_c_g_c2eg:Cs-La-Nb-O +mp-1517407,Sr2PrCoO6,-6.919542535,-2.4247082626,0.1722626185,0.1722626185,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-O-Pr-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Co-O-Pr-Sr +mp-1516664,Sr2CeCoO6,-7.33166537,-2.7216127576,0.1063623982,0.1063623982,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Co-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Co-O-Sr +mp-1218498,Sr4CePrO8,-7.3495602243,-3.2748831948,0.035262601,0.035262601,GGA,P2/m,AB8CD4_mP14_10_c_2m2n_d_2n:Ce-O-Pr-Sr,14.0,AB8CD4_mP14_10_a_2m2n_d_2n:Ce-O-Pr-Sr +mp-1523044,SrCePrCoO6,-7.804974761,-2.8857809184,0.1923985309,0.1923985309,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Ce-Co-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Ce-Co-O-Pr-Sr +mp-1218091,SrPr(CoO3)2,-7.2972293785,-2.2605126719,0.011671166,0.011671166,GGA+U,Pc,A2B6CD_mP20_7_2a_6a_a_a:Co-O-Pr-Sr,20.0,A2B6CD_mP20_7_2a_6a_a_a:Co-O-Pr-Sr +mp-1521782,BaNaPrSbO6,-6.7263040953,-2.5431501457,0.0904935896,0.0904935896,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Na-O-Pr-Sb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Na-O-Pr-Sb, expected BaNa2PrSbO12 to be BaNaPrSbO6" +mp-1521652,BaNaPrSbO6,-6.720785657,-2.5376317074,0.0960120279,0.0960120279,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-Sb +mp-6273,Ba4Na(SbO4)3,-6.5785527835,-2.5412681181,0.0,-0.0130755042,GGA,Im-3m,A4BC12D3_cI40_229_c_a_de_b:Ba-Na-O-Sb,20.0,A4BC12D3_cI40_229_c_a_de_b:Ba-Na-O-Sb +mp-6692,Ba2PrSbO6,-7.239475308,-2.9966763938,0.0,-0.0751736351,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:Ba-O-Pr-Sb,10.0,A2B6CD_hR30_148_c_f_a_b:Ba-O-Pr-Sb +mp-1521617,Ba2PrSbO6,-7.23377844,-2.9909795258000003,0.005696868,-0.0694767671,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Sb,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Sb +mp-10731,Ba2PrSbO6,-7.233027661,-2.9902287468,0.006447647,-0.0687259881,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Sb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Sb +mp-1190024,Ba3NaSbO6,-6.3684443886,-2.6513004231,0.0,-0.1043780347,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Sb,22.0,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Sb +mp-14735,La2CuSnO6,-7.5404249325,-2.7743324322,0.0449900207,0.0449900207,GGA,P2_1/m,AB2C6D_mP40_11_ab_4e_4e4f_cd:Cu-La-O-Sn,40.0,AB2C6D_mP40_11_ad_4e_4e4f_bc:Cu-La-O-Sn +mp-1218269,SrLa3(Cu2O5)2,-6.9905426839,-2.414918875,0.0257281942,0.0257281942,GGA,Pm,A4B3C10D_mP18_6_4b_3a_4a6b_a:Cu-La-O-Sr,18.0,A4B3C10D_mP18_6_4b_3a_4a6b_a:Cu-La-O-Sr +mp-1218240,SrLa2(CuO3)2,-7.1464352982,-2.6518850008,0.0404047177,0.0404047177,GGA,I4/mmm,A2B2C6D_tI22_139_e_e_eg_a:Cu-La-O-Sr,11.0,A2B2C6D_tI22_139_e_e_eg_a:Cu-La-O-Sr +mp-1218202,SrLaCuO4,-6.9929012029,-2.6341209067,0.0114488747,0.0114488747,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Cu-La-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Cu-La-O-Sr +mp-1046211,Sr2Cu2SnO7,-6.0268206946,-1.8423379379,0.1599295255,0.1599295255,GGA,Ima2,A2B7CD2_oI48_46_c_b3c_b_c:Cu-O-Sn-Sr,24.0,A2B7CD2_oI48_46_c_b3c_b_c:Cu-O-Sn-Sr +mp-1218623,Sr3La(CuO2)4,-6.3266656034,-2.2032391137,0.0284600019,0.0284600019,GGA,Pmc2_1,A4BC8D3_oP32_26_4b_a_2a6b_3a:Cu-La-O-Sr,32.0,"Invalid WP multiplicities - A4BC8D3_oP32_26_6b_a_4a11b_4a:Cu-La-O-Sr, expected Sr4La(Cu2O5)3 to be Sr3La(CuO2)4" +mp-694970,SrLa7Cu4(SnO6)4,-7.3948328373,-2.7099031783000003,0.0483338944,0.0483338944,GGA,Pm,A4B7C24D4E_mP40_6_2c_3a4b_4a4b8c_2c_a:Cu-La-O-Sn-Sr,40.0,"Invalid WP multiplicities - A4B7C24D4E_mP40_6_4c_3a4b_4a4b16c_3c_a:Cu-La-O-Sn-Sr, expected SrLa7Cu8(Sn3O20)2 to be SrLa7Cu4(SnO6)4" +mp-17119,SrCu3(SnO3)4,-6.3140492145,-1.8447659436,0.0466892089,0.0466892089,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Sr,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Sr +mp-1218244,SrLa3(CuO4)2,-7.4078910057,-2.8172168773,0.03974291,0.03974291,GGA,Amm2,A2B3C8D_oC28_38_ab_a2b_2a2bf_a:Cu-La-O-Sr,14.0,A2B3C8D_oC28_38_ab_a2b_2a2bf_a:Cu-La-O-Sr +mp-1232038,CuBiSeO,-4.7157945225,-0.6202205253,0.3433450438,0.3377055916,GGA,Pmm2,ABCD_oP4_25_a_b_b_a:Bi-Cu-O-Se,4.0,ABCD_oP4_25_a_b_b_a:Bi-Cu-O-Se +mp-23116,CuBiSeO,-5.0591395662,-0.963565569,0.0,-0.0056394522,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Bi-Cu-O-Se,8.0,ABCD_tP8_129_c_a_b_c:Bi-Cu-O-Se +mp-1225836,Cu4Bi3Pb(SeO)4,-5.0654203212,-0.9778364528,0.0,-0.0172776231,GGA,I4mm,A3B4C4DE4_tI32_107_ab_c_c_a_2ab:Bi-Cu-O-Pb-Se,16.0,A3B4C4DE4_tI32_107_ab_c_c_a_2ab:Bi-Cu-O-Pb-Se +mp-1213034,CuBi2Se2O,-4.2591655367,-0.3060494372,0.5526739567,0.5526739567,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Bi-Cu-O-Se,6.0,A2BCD2_tP6_123_g_a_b_g:Bi-Cu-O-Se +mp-556635,CuBi2(SeO3)4,-5.8479504018,-1.3677348558,0.0009913545,-0.0008901828,GGA,P2_1/c,A2BC12D4_mP38_14_e_a_6e_2e:Bi-Cu-O-Se,38.0,"Invalid WP multiplicities - A2BC12D4_mP38_14_e_a_23e_6e:Bi-Cu-O-Se, expected CuBi2(Se6O23)2 to be CuBi2(SeO3)4" +mp-556303,CuBi2(SeO3)4,-5.8489417563,-1.3687262102,0.0,-0.0018815373,GGA,P2_1/c,A2BC12D4_mP38_14_e_a_6e_2e:Bi-Cu-O-Se,38.0,"Invalid WP multiplicities - A2BC12D4_mP38_14_e_a_17e_6e:Bi-Cu-O-Se, expected CuBi2(Se6O17)2 to be CuBi2(SeO3)4" +mp-1202656,CuBi2Se3O11,-5.7631926815,-1.252516494,0.1113808059,0.1113808059,GGA,Aem2,A2BC11D3_oC68_39_d_c_a2c4d_cd:Bi-Cu-O-Se,34.0,A2BC11D3_oC68_39_d_c_a2c4d_cd:Bi-Cu-O-Se +mp-579463,Cu2Pb(SeO3)3,-5.6825937387,-1.2213275224,0.0,-0.0007476991,GGA,P-1,A2B9CD3_aP60_2_4i_18i_2i_6i:Cu-O-Pb-Se,60.0,"Invalid WP multiplicities - A2B9CD3_aP60_2_7i_36i_3i_11i:Cu-O-Pb-Se, expected Cu7Pb3Se11O36 to be Cu2Pb(SeO3)3" +mp-1522649,Ba2EuCrO6,-8.0273888487,-2.684575707,0.1073074095,0.1073074095,GGA+U,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Cr-Eu-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Cr-Eu-O +mp-1522590,Ba2EuCrO6,-8.020532299,-2.6777191573,0.1141639593,0.1141639593,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Cr-Eu-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Cr-Eu-O +mp-1183392,BaSr2Eu,-3.85518773,0.0335531817,0.03732956,0.03732956,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Eu-Sr,4.0,ABC2_cF16_225_a_b_c:Ba-Eu-Sr +mp-1522661,BaEuCr4O12,-7.5591393139,-1.4397820275,0.9003811217000001,0.9003811217000001,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Cr-Eu-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Cr-Eu-O, expected BaEuCr4O16 to be BaEuCr4O12" +mp-1522607,Ba2SrCrO6,-7.0016633665,-2.5156010594,0.14211007,0.14211007,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Cr-O-Sr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Cr-O-Sr +mp-1522756,Ba2SrCrO6,-7.006725921,-2.5206636139,0.1370475155,0.1370475155,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sr +mp-1227979,BaSrEu4O8,-9.1215728268,-3.106573878,0.0165702892,0.0165702892,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Eu-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Eu-O-Sr +mp-1520342,BaSrEuCrO6,-7.980298653,-2.6604336599,0.1560803551,0.1560803551,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Eu-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Eu-O-Sr +mp-1183344,BaSrEu2,-5.9845155975,0.0461024008,0.04799059,0.04799059,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Eu-Sr,4.0,AB2C_cF16_225_a_c_b:Ba-Eu-Sr +mp-1517417,BaSrCr4O12,-7.5465857356,-1.9032011351,0.4170935154,0.4170935154,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Cr-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Cr-O-Sr, expected BaSrCr4O16 to be BaSrCr4O12" +mp-542185,NaCu4(AsO4)3,-5.9882540905,-1.4354055043,0.0,-0.0129516723,GGA,C2/c,A3B4CD12_mC80_15_ef_2ef_e_6f:As-Cu-Na-O,40.0,A3B4CD12_mC80_15_ef_2ef_e_6f:As-Cu-Na-O +mp-559209,NaCuAsO4,-5.8587169411,-1.5919161963,0.0311227179,0.0311227179,GGA,P2_1/c,ABCD4_mP56_14_2e_2e_2e_8e:As-Cu-Na-O,56.0,"Invalid WP multiplicities - ABCD4_mP56_14_5e_6e_8e_28e:As-Cu-Na-O, expected Na8Cu6As5O28 to be NaCuAsO4" +mp-669361,Cu2BiAsO6,-6.0405245612,-1.402709247,0.0397980452,0.0397980452,GGA,Pnma,ABC2D6_oP40_62_c_c_2c_2c2d:As-Bi-Cu-O,40.0,"Invalid WP multiplicities - ABC2D6_oP40_62_c_c_6c_6c9d:As-Bi-Cu-O, expected Cu6BiAsO24 to be Cu2BiAsO6" +mp-1203302,Na7Cu4(AsO4)5,-5.8147680235,-1.7068827462,0.0203969513,0.0203969513,GGA,C2/c,A5B4C7D20_mC288_15_5f_4f_7f_20f:As-Cu-Na-O,144.0,A5B4C7D20_mC288_15_5f_4f_7f_20f:As-Cu-Na-O +mp-1213474,Cu6Bi(AsO7)3,-5.5247941026,-0.8056474154000001,0.3060062768,0.3060062768,GGA,P6_3/m,A3BC6D21_hP62_176_h_c_i_5hi:As-Bi-Cu-O,62.0,A3BC6D21_hP62_176_h_c_i_5hi:As-Bi-Cu-O +mp-555821,Na4Cu(AsO4)2,-5.742533046,-1.8571294231,0.016087371,0.016087371,GGA,P-1,A2BC4D8_aP15_2_i_a_2i_4i:As-Cu-Na-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_i_a_2i_7i:As-Cu-Na-O, expected Na4Cu(AsO7)2 to be Na4Cu(AsO4)2" +mp-1193279,Na5Cu3(AsO4)4,-5.8487040486,-1.6810704958,0.011532687,0.011532687,GGA,P-1,A4B3C5D16_aP28_2_2i_bi_d2i_8i:As-Cu-Na-O,28.0,A4B3C5D16_aP28_2_2i_bi_d2i_8i:As-Cu-Na-O +mp-560658,Na5Bi2As5O18,-6.1389917775,-1.9180053257,0.0,-0.0189181866,GGA,P-1,A5B2C5D18_aP60_2_5i_2i_5i_18i:As-Bi-Na-O,60.0,"Invalid WP multiplicities - A5B2C5D18_aP60_2_8i_4i_10i_34i:As-Bi-Na-O, expected Na5Bi2As4O17 to be Na5Bi2As5O18" +mp-1191242,Na2Cu3Bi2As2O13,-5.8049119436000005,-1.4299647203,0.1243152239,0.1243152239,GGA,C2,A2B2C3D2E13_mC44_5_c_c_ac_c_b6c:As-Bi-Cu-Na-O,22.0,A2B2C3D2E13_mC44_5_c_c_ac_c_b6c:As-Bi-Cu-Na-O +mp-1233805,MgAg4Te8(MoO12)2,-6.0224424087,-1.4458070113,0.0777565515,0.0777565515,GGA+U,P1,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te,39.0,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te +mp-1233997,MgAg4Te8(MoO12)2,-6.0304471754,-1.4538117779,0.0697517848,0.0697517848,GGA+U,P1,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te,39.0,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te +mp-1234308,MgAg4Te8(MoO12)2,-6.0360940464,-1.459458649,0.0641049138,0.0641049138,GGA+U,P1,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te,39.0,A4BC2D24E8_aP39_1_4a_a_2a_24a_8a:Ag-Mg-Mo-O-Te +mp-1190916,Ag2Te3Mo3O16,-6.84871223,-1.5662539218,0.0102886643,0.0102886643,GGA+U,C2,A2B3C16D3_mC48_5_ab_ac_8c_bc:Ag-Mo-O-Te,24.0,A2B3C16D3_mC48_5_ab_ac_8c_bc:Ag-Mo-O-Te +mp-29607,Ag(TeMo)6,-6.8999761246,-0.225645969,0.1734254272,0.1734254272,GGA,C2/m,AB6C6_mC26_12_a_3i_3i:Ag-Mo-Te,13.0,"Invalid WP multiplicities - AB6C6_mC26_12_a_3i_4i:Ag-Mo-Te, expected Ag(Te4Mo3)2 to be Ag(TeMo)6" +mp-1210722,MgTeMoO6,-7.125222235,-2.0952924216,0.011280701,0.011280701,GGA+U,P2_12_12,ABC6D_oP18_18_b_a_3c_a:Mg-Mo-O-Te,18.0,ABC6D_oP18_18_b_a_3c_a:Mg-Mo-O-Te +mp-1197464,Ag2Te4MoO12,-6.0661611847,-1.4112006466,0.0056133127,0.0056133127,GGA+U,C2/c,A2BC12D4_mC76_15_f_e_6f_2f:Ag-Mo-O-Te,38.0,A2BC12D4_mC76_15_f_e_6f_2f:Ag-Mo-O-Te +mp-1233828,MgAg6Mo10O33,-7.4853934574,-1.6795365646,0.0464273992,0.0464273992,GGA+U,P1,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O,50.0,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O +mp-1233948,MgAg6Mo10O33,-7.468804803,-1.6629479102,0.0630160536,0.0630160536,GGA+U,P1,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O,50.0,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O +mp-1234022,MgAg6Mo10O33,-7.4869186658,-1.681061773,0.0449021908,0.0449021908,GGA+U,P1,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O,50.0,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O +mp-1234516,MgAg6Mo10O33,-7.4764364778,-1.670579585,0.0553843788,0.0553843788,GGA+U,P1,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O,50.0,A6BC10D33_aP50_1_6a_a_10a_33a:Ag-Mg-Mo-O +mp-2232168,MgAg4(MoO4)2,-6.0706497647,-1.1242954998,0.4265643308,0.4265643308,GGA+U,F-43m,A4BC2D8_cF60_216_e_a_bc_2e:Ag-Mg-Mo-O,15.0,A4BC2D8_cF60_216_e_a_bc_2e:Ag-Mg-Mo-O +mp-2225569,NaMgCuO2,-5.067835974,-1.6847580868,0.276587144,0.276587144,GGA,Cm,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Na-O +mp-2218579,Na2Mg(Cu2O3)2,-5.0454592577,-1.174513905,0.2909008706,0.2909008706,GGA,Pm,A4BC2D6_mP13_6_2c_a_ab_ab2c:Cu-Mg-Na-O,13.0,"Invalid WP multiplicities - A4BC2D6_mP13_6_2c_a_ab_ab3c:Cu-Mg-Na-O, expected Na2Mg(CuO2)4 to be Na2Mg(Cu2O3)2" +mp-2229154,Na4Mg(CuO2)4,-5.1438751676,-1.4461858974,0.0873314344,0.0873314344,GGA,P1,A4BC4D8_aP17_1_4a_a_4a_8a:Cu-Mg-Na-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:Cu-Mg-Na-O +mp-2229811,Na4Mg(CuO2)4,-5.05895225,-1.3612629798,0.1722543521,0.1722543521,GGA,P-1,A4BC4D8_aP17_2_2i_f_aci_4i:Cu-Mg-Na-O,17.0,"Invalid WP multiplicities - A4BC4D8_aP17_2_3i_f_ac2i_7i:Cu-Mg-Na-O, expected Na6Mg(Cu3O7)2 to be Na4Mg(CuO2)4" +mp-2210740,NaMgCu2O3,-5.1359730414,-1.4272180675,0.2502829432,0.2502829432,GGA,Pm,A2BCD3_mP7_6_2a_b_b_3a:Cu-Mg-Na-O,7.0,A2BCD3_mP7_6_2a_b_b_3a:Cu-Mg-Na-O +mp-2210685,NaMgCu2O3,-5.15172246,-1.4429674861,0.2345335246,0.2345335246,GGA,P2/m,A2BCD3_mP7_10_n_c_a_en:Cu-Mg-Na-O,7.0,"Invalid WP multiplicities - A2BCD3_mP7_10_n_a_c_e2n:Cu-Mg-Na-O, expected NaMgCu2O5 to be NaMgCu2O3" +mp-2210768,NaMgCu2O3,-5.1522696429,-1.443514669,0.2339863418,0.2339863418,GGA,Pmmm,A2BCD3_oP7_47_k_d_c_ei:Cu-Mg-Na-O,7.0,"Invalid WP multiplicities - A2BCD3_mP7_10_n_a_c_e2n:Cu-Mg-Na-O, expected NaMgCu2O5 to be NaMgCu2O3" +mp-2210763,NaMgCu2O3,-4.8518063643,-1.1430513904,0.5344496204,0.5344496204,GGA,Cmmm,A2BCD3_oC14_65_g_b_c_ag:Cu-Mg-Na-O,7.0,"Invalid WP multiplicities - A2BCD3_oC14_65_g_b_c_a2g:Cu-Mg-Na-O, expected NaMgCu2O5 to be NaMgCu2O3" +mp-17771,NaMg4(AsO4)3,-6.472773979,-2.4197107168,0.0,-0.0156967046,GGA,I-42d,A3B4CD12_tI80_122_ad_cd_b_3e:As-Mg-Na-O,40.0,A3B4CD12_tI80_122_ad_cd_b_3e:As-Mg-Na-O +mp-2223318,Na3Mg(CuO2)2,-4.828642369,-1.4733399575,0.2002230115,0.2002230115,GGA,Cm,A2BC3D4_mC20_8_2a_a_3a_4a:Cu-Mg-Na-O,10.0,A2BC3D4_mC20_8_2a_a_3a_4a:Cu-Mg-Na-O +mp-2240739,Na3Mg(CuO2)2,-4.768382539,-1.4130801275,0.2604828415,0.2604828415,GGA,Cm,A2BC3D4_mC20_8_2a_a_3a_4a:Cu-Mg-Na-O,10.0,A2BC3D4_mC20_8_2a_a_3a_4a:Cu-Mg-Na-O +mp-1042399,MgCuAs2O7,-6.3247082268,-1.8115678169,0.0124537928,0.0124537928,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Cu-Mg-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Cu-Mg-O +mp-1347026,MgCuAsO5,-6.08932175,-1.7028156648,0.1283973535,0.1283973535,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Cu-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Cu-Mg-O +mp-2224161,Na2MgCuO2,-4.397443735,-1.3577912801,0.37970204,0.37970204,GGA,P1,ABC2D2_aP6_1_a_a_2a_2a:Cu-Mg-Na-O,6.0,ABC2D2_aP6_1_a_a_2a_2a:Cu-Mg-Na-O +mp-2227940,Na2MgCuO2,-4.4850685167,-1.4454160618,0.2920772583,0.2920772583,GGA,C2/m,ABC2D2_mC12_12_a_d_i_i:Cu-Mg-Na-O,6.0,ABC2D2_aP6_2_a_e_i_i:Cu-Mg-Na-O +mp-2226128,Na2MgCuO2,-4.2877533,-1.2481008451,0.489392475,0.489392475,GGA,Immm,ABC2D2_oI12_71_a_b_e_f:Cu-Mg-Na-O,6.0,ABC2D2_oI12_71_a_b_e_f:Cu-Mg-Na-O +mp-2232860,Na4MgCu(AsO4)2,-5.6115059444,-1.8689225448,0.1706366132,0.1706366132,GGA,P1,A2BCD4E8_aP16_1_2a_a_a_4a_8a:As-Cu-Mg-Na-O,16.0,A2BCD4E8_aP16_1_2a_a_a_4a_8a:As-Cu-Mg-Na-O +mp-2232672,Na4MgCu(AsO4)2,-5.5887803206,-1.846196921,0.193362237,0.193362237,GGA,P-1,A2BCD4E8_aP16_2_i_a_c_2i_4i:As-Cu-Mg-Na-O,16.0,"Invalid WP multiplicities - A2BCD4E8_aP16_2_i_a_c_2i_7i:As-Cu-Mg-Na-O, expected Na4MgCu(AsO7)2 to be Na4MgCu(AsO4)2" +mp-1022090,NaMg6Cu,-1.7851753944,0.0927511386,0.1492491369,0.1492491369,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Na, expected NaMg12Cu to be NaMg6Cu" +mp-1022102,NaMg6Cu,-1.7854811556,0.0924453773,0.1489433757,0.1489433757,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Na, expected NaMg12Cu to be NaMg6Cu" +mp-2231232,Na7MgCu3O8,-4.7242044221,-1.4226735377,0.1628553668,0.1628553668,GGA,P1,A3BC7D8_aP19_1_3a_a_7a_8a:Cu-Mg-Na-O,19.0,A3BC7D8_aP19_1_3a_a_7a_8a:Cu-Mg-Na-O +mp-2231739,Na7MgCu3O8,-4.7722195047,-1.4706886203,0.1148402842,0.1148402842,GGA,P1,A3BC7D8_aP19_1_3a_a_7a_8a:Cu-Mg-Na-O,19.0,A3BC7D8_aP19_1_3a_a_7a_8a:Cu-Mg-Na-O +mp-2232639,NaMg(Cu3O4)2,-5.0981779412,-0.9049557504,0.4052576447,0.4052576447,GGA,Fm-3m,A6BCD8_cF64_225_d_a_b_f:Cu-Mg-Na-O,16.0,A6BCD8_cF64_225_d_a_b_f:Cu-Mg-Na-O +mp-1210695,Mg3Cu2(AsO4)3,-6.3688293365,-2.0519856745,0.0,-0.0202276824,GGA,C2/c,A3B2C3D12_mC80_15_ef_ae_ef_6f:As-Cu-Mg-O,40.0,A3B2C3D12_mC80_15_ef_ae_ef_6f:As-Cu-Mg-O +mp-1026885,NaMg14Cu,-1.6894992744,0.0496040171,0.0898200959,0.0898200959,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Na, expected NaMg18Cu to be NaMg14Cu" +mp-1026857,NaMg14Cu,-1.6886594338,0.0504438577,0.0906599365,0.0906599365,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Na, expected NaMg26Cu to be NaMg14Cu" +mp-2217358,Na4Mg(CuO2)2,-4.4808246764,-1.3103201847,0.323534015,0.323534015,GGA,Pm,A2BC4D4_mP11_6_ab_a_2a2b_2a2b:Cu-Mg-Na-O,11.0,A2BC4D4_mP11_6_ab_a_2a2b_2a2b:Cu-Mg-Na-O +mp-2217328,Na4Mg(CuO2)2,-4.5629632491,-1.3924587574,0.2413954423,0.2413954423,GGA,Cm,A2BC4D4_mC22_8_2a_a_4a_4a:Cu-Mg-Na-O,11.0,A2BC4D4_mC22_8_2a_a_4a_4a:Cu-Mg-Na-O +mp-2217670,Na4Mg(CuO2)2,-4.47342046,-1.3029159683,0.3309382314,0.3309382314,GGA,Cm,A2BC4D4_mC22_8_2a_a_4a_4a:Cu-Mg-Na-O,11.0,A2BC4D4_mC22_8_2a_a_4a_4a:Cu-Mg-Na-O +mp-1349320,Mg3Cu3(AsO4)4,-6.2826003775,-1.8640637175,0.0221494806,0.0221494806,GGA,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Cu-Mg-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Cu-Mg-O, expected Mg3Cu3(As5O29)2 to be Mg3Cu3(AsO4)4" +mp-1095367,MgCu2AsO7,-5.8658907736,-1.4036514306,0.117660852,0.117660852,GGA,P1,AB2CD7_aP11_1_a_2a_a_7a:As-Cu-Mg-O,11.0,AB2CD7_aP11_1_a_2a_a_7a:As-Cu-Mg-O +mp-2217459,Na2Mg(CuO2)2,-5.1243883089,-1.5432217731,0.1487503361,0.1487503361,GGA,Cm,A2BC2D4_mC18_8_2a_a_2a_4a:Cu-Mg-Na-O,9.0,A2BC2D4_mC18_8_2a_a_2a_4a:Cu-Mg-Na-O +mp-2222930,Na2Mg(CuO2)2,-5.1145711233,-1.5334045876,0.1585675217,0.1585675217,GGA,Cm,A2BC2D4_mC18_8_2a_a_2a_4a:Cu-Mg-Na-O,9.0,A2BC2D4_mC18_8_2a_a_2a_4a:Cu-Mg-Na-O +mp-2217264,Na2Mg(CuO2)2,-4.9979549311,-1.4167883953,0.2751837139,0.2751837139,GGA,C2/m,A2BC2D4_mC18_12_i_a_i_2i:Cu-Mg-Na-O,9.0,A2BC2D4_mC18_12_i_a_i_2i:Cu-Mg-Na-O +mp-2217251,Na2Mg(CuO2)2,-4.9159000478,-1.334733512,0.3572385972,0.3572385972,GGA,Amm2,A2BC2D4_oC18_38_ab_a_ab_2c:Cu-Mg-Na-O,9.0,"Invalid WP multiplicities - A2BC2D4_oC18_38_ab_a_ab_4c:Cu-Mg-Na-O, expected Na2Mg(CuO4)2 to be Na2Mg(CuO2)2" +mp-1017254,Mg6GaSb,-2.1886022512,-0.0937550559,0.1086966359,0.1086966359,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Sb, expected Mg12GaSb to be Mg6GaSb" +mp-1017269,Mg6GaSb,-2.1911889625,-0.0963417672,0.1061099247,0.1061099247,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Sb, expected Mg12GaSb to be Mg6GaSb" +mp-1026449,Mg14GaSb,-1.8893645375,-0.0418009148,0.0727652321,0.0727652321,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Sb, expected Mg18GaSb to be Mg14GaSb" +mp-1026420,Mg14GaSb,-1.9077345281,-0.0601709055,0.0543952415,0.0543952415,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Sb, expected Mg26GaSb to be Mg14GaSb" +mp-2222770,Sr2MgGaSbO6,-6.1779108973,-2.3764112167,0.3043945014,0.3043945014,GGA,P-1,ABC6DE2_aP11_2_d_a_3i_c_i:Ga-Mg-O-Sb-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_aP11_2_d_a_4i_c_i:Ga-Mg-O-Sb-Sr, expected Sr2MgGaSbO8 to be Sr2MgGaSbO6" +mp-2227298,Sr2MgGaSbO6,-5.9898678473,-2.1883681667,0.4924375514,0.4924375514,GGA,Immm,ABC6DE2_oI22_71_a_c_el_b_f:Ga-Mg-O-Sb-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_oI22_71_a_c_2e2l_b_f:Ga-Mg-O-Sb-Sr, expected Sr2MgGaSbO12 to be Sr2MgGaSbO6" +mp-2217402,SrMg(SbO3)2,-6.425612889,-2.3028220639,0.1767897059,0.1767897059,GGA,P312,AB6C2D_hP10_149_a_l_bd_e:Mg-O-Sb-Sr,10.0,AB6C2D_hP10_149_a_l_bd_e:Mg-O-Sb-Sr +mp-2217220,SrMg(SbO3)2,-6.333103809,-2.2103129839,0.2692987859,0.2692987859,GGA,P-31m,AB6C2D_hP10_162_a_k_c_b:Mg-O-Sb-Sr,10.0,AB6C2D_hP10_162_a_k_c_b:Mg-O-Sb-Sr +mp-1016342,SrMg6Sb,-2.0222197619,-0.0946978877,0.2185413396,0.2185413396,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Sr, expected SrMg12Sb to be SrMg6Sb" +mp-1016353,SrMg6Sb,-2.0310301681,-0.103508294,0.2097309334,0.2097309334,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Sr, expected SrMg12Sb to be SrMg6Sb" +mp-1026577,SrMg14Sb,-1.8104767912,-0.0465758292,0.1193641578,0.1193641578,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Sr, expected SrMg18Sb to be SrMg14Sb" +mp-1026561,SrMg14Sb,-1.7611850881,0.002715874,0.1686558609,0.1686558609,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Sr, expected SrMg26Sb to be SrMg14Sb" +mp-9566,Sr(MgSb)2,-3.457815288,-0.8282040813,0.0,-0.1745028507,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mg-Sb-Sr,5.0,A2B2C_hP5_164_d_d_a:Mg-Sb-Sr +mp-1521510,Sr2CeFeO6,-7.586032725,-2.8398097711,0.098343971,0.098343971,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Fe-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Fe-O-Sr +mp-704634,Ba2Nd2Fe4O11,-7.9131922179,-2.562249828,0.0,-0.0110951426,GGA+U,Cmmm,A2B4C2D11_oC38_65_f_2g_j_ag2hp:Ba-Fe-Nd-O,19.0,A2B4C2D11_oC38_65_f_2g_j_ag2hp:Ba-Fe-Nd-O +mp-2232127,Ba2Mg(FeO2)4,-7.0208307367,-1.7613757727,0.4210874467,0.4210874467,GGA+U,P312,A2B4CD8_hP15_149_cd_gi_a_bel:Ba-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hP15_149_cd_g2i_a_bel:Ba-Fe-Mg-O, expected Ba2Mg(Fe3O4)2 to be Ba2Mg(FeO2)4" +mp-2232179,Ba2Mg(FeO2)4,-7.157626624,-1.89817166,0.2842915594,0.2842915594,GGA+U,P321,A2B4CD8_hP15_150_c_2d_a_def:Ba-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hP15_150_c_4d_a_d2e2f:Ba-Fe-Mg-O, expected Ba2Mg(Fe4O7)2 to be Ba2Mg(FeO2)4" +mp-2231775,Ba4Mg(Fe2O5)2,-7.0228712174,-2.147968493,0.1875154541,0.1875154541,GGA+U,P1,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O,19.0,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O +mp-2230705,Ba4Mg(Fe2O5)2,-7.1183647679,-2.2434620436,0.0920219036,0.0920219036,GGA+U,P1,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O,19.0,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O +mp-2230502,Ba4Mg(Fe2O5)2,-7.0784894195,-2.2035866951,0.131897252,0.131897252,GGA+U,P1,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O,,A4B4CD10_aP19_1_4a_4a_a_10a:Ba-Fe-Mg-O +mp-2230883,Ba4Mg(Fe2O5)2,-7.1275920732,-2.2526893488,0.0827945983,0.0827945983,GGA+U,Cm,A4B4CD10_mC38_8_2b_2ab_a_2a4b:Ba-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B4CD10_mC38_8_3b_2ab_a_2a6b:Ba-Fe-Mg-O, expected Ba6Mg(Fe2O7)2 to be Ba4Mg(Fe2O5)2" +mp-1032440,BaMg6FeO8,-6.18345741,-2.4606957762,0.3787678496,0.3787678496,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Fe-Mg-O, expected BaMg6FeO12 to be BaMg6FeO8" +mp-1032152,BaMg6FeO8,-6.1937003062,-2.4709386725,0.3685249533,0.3685249533,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Fe-Mg-O, expected BaMg6FeO12 to be BaMg6FeO8" +mp-1035662,BaMg14FeO16,-6.2572557469,-2.7591327397,0.1876192229,0.1876192229,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Fe-Mg-O, expected BaMg18FeO20 to be BaMg14FeO16" +mp-1035521,BaMg14FeO16,-6.2249232397,-2.7268002325,0.2199517301,0.2199517301,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Fe-Mg-O, expected BaMg30FeO32 to be BaMg14FeO16" +mp-1182187,BaNdFe2O5,-7.9046303861,-2.5312294585,0.0076474863,0.0076474863,GGA+U,Pmc2_1,AB2CD5_oP18_26_a_2b_a_2a3b:Ba-Fe-Nd-O,18.0,"Invalid WP multiplicities - AB2CD5_oP18_51_a_3f_c_3e2f3j:Ba-Fe-Nd-O, expected BaNdFe3O11 to be BaNdFe2O5" +mp-2236509,BaNdFe2O5,-7.8962033839,-2.5228024562,0.0160744886,0.0160744886,GGA+U,Pmma,AB2CD5_oP18_51_a_2f_c_2efj:Ba-Fe-Nd-O,18.0,"Invalid WP multiplicities - AB2CD5_oP18_51_a_3f_c_3e2f3j:Ba-Fe-Nd-O, expected BaNdFe3O11 to be BaNdFe2O5" +mp-638374,BaNdFe2O5,-7.8971838056,-2.5237828779,0.0150940669,0.0150940669,GGA+U,P4/mmm,AB2CD5_tP9_123_a_h_b_ci:Ba-Fe-Nd-O,9.0,"Invalid WP multiplicities - AB2CD5_tP9_123_a_h_b_c2i:Ba-Fe-Nd-O, expected BaNdFe2O9 to be BaNdFe2O5" +mp-1037500,BaMg30FeO32,-6.3048640484,-2.9190603545,0.0813357765,0.0813357765,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Fe-Mg-O, expected BaMg110FeO72 to be BaMg30FeO32" +mp-1037485,BaMg30FeO32,-6.3067538902,-2.9209501963,0.0794459347,0.0794459347,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Fe-Mg-O, expected BaMg90FeO80 to be BaMg30FeO32" +mp-2230159,Ba2Nd2Mg(Fe2O5)2,-7.5644189874,-2.3896033691,0.1801284141,0.1801284141,GGA+U,P1,A2B4CD2E10_aP19_1_2a_4a_a_2a_10a:Ba-Fe-Mg-Nd-O,19.0,A2B4CD2E10_aP19_1_2a_4a_a_2a_10a:Ba-Fe-Mg-Nd-O +mp-2230169,Ba2Nd2Mg(Fe2O5)2,-7.6083107516,-2.4334951333,0.1362366499,0.1362366499,GGA+U,Pm,A2B4CD2E10_mP19_6_2a_4b_a_2a_4a6b:Ba-Fe-Mg-Nd-O,19.0,A2B4CD2E10_mP19_6_2a_4b_a_2a_4a6b:Ba-Fe-Mg-Nd-O +mp-2230026,Ba2Nd2Mg(Fe2O5)2,-7.5613680726,-2.3865524543,0.1831793289,0.1831793289,GGA+U,Pm,A2B4CD2E10_mP19_6_2a_4b_a_2a_4a6b:Ba-Fe-Mg-Nd-O,19.0,A2B4CD2E10_mP19_6_2a_4b_a_2a_4a6b:Ba-Fe-Mg-Nd-O +mp-1233160,BaMg(FeO2)4,-7.2353287664,-1.7372680864,0.3619233875,0.3619233875,GGA+U,P312,AB4CD8_hP14_149_e_gh_b_acl:Ba-Fe-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_hP14_149_e_2g2h_b_acl:Ba-Fe-Mg-O, expected BaMg(FeO)8 to be BaMg(FeO2)4" +mp-1044425,BaMg(FeO2)4,-7.5215203279,-2.0234596479,0.0757318261,0.0757318261,GGA+U,P-31m,AB4CD8_hP14_162_a_h_b_ck:Ba-Fe-Mg-O,14.0,AB4CD8_hP14_162_a_h_b_ck:Ba-Fe-Mg-O +mp-1227836,BaNd(FeO3)2,-7.729741787,-2.399012081,0.0650948457,0.0650948457,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ba-Fe-Nd-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ba-Fe-Nd-O +mp-1522481,BaNd(FeO3)4,-7.1934013544,-1.6418751463,0.2050360204,0.2050360204,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Fe-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Fe-Nd-O, expected BaNd(FeO4)4 to be BaNd(FeO3)4" +mp-1228695,Ba6Nd2Fe4O15,-7.4650111406,-2.6823978067,0.0,-0.0287660541,GGA+U,Cc,A6B4C2D15_mC108_9_6a_4a_2a_15a:Ba-Fe-Nd-O,54.0,"Invalid WP multiplicities - A6B4C2D15_mC108_9_9a_7a_4a_30a:Ba-Fe-Nd-O, expected Ba9Nd4Fe7O30 to be Ba6Nd2Fe4O15" +mp-1521193,NaNd(FeO3)4,-6.9176769356,-1.3992868188,0.2472886358,0.2472886358,GGA+U,P4/mmm,A4BCD12_tP18_123_i_a_d_efr:Fe-Na-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_tP18_123_i_a_d_2e2fr:Fe-Na-Nd-O, expected NaNd(FeO4)4 to be NaNd(FeO3)4" +mp-1013864,Na3Fe2(GeO4)3,-6.4983001729,-1.7914518529,0.085431849,0.085431849,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Na-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Na-O +mp-1210319,NdFeGe2O7,-7.650521263,-2.458608051,0.0,-0.0109305412,GGA+U,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Fe-Ge-Nd-O,44.0,AB2CD7_mP44_14_e_2e_e_7e:Fe-Ge-Nd-O +mp-1223416,La2MnPbO9,-7.0356537546,-1.8612787567,0.4493129414,0.4493129414,GGA+U,P3m1,A2BC9D_hP13_156_ab_a_3d_c:La-Mn-O-Pb,13.0,"Invalid WP multiplicities - A2BC9D_hP13_156_ab_a_9d_c:La-Mn-O-Pb, expected La2MnPbO27 to be La2MnPbO9" +mp-1106340,La5MnPb3,-5.3640019611,-0.3662250692,0.124584613,0.124584613,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:La-Mn-Pb,18.0,A5BC3_hP18_193_dg_b_g:La-Mn-Pb +mp-706223,La4TiMn5(PbO9)2,-8.3885121537,-2.7246692257,0.1715754853,0.1715754853,GGA+U,P1,A4B5C18D2E_aP30_1_4a_5a_18a_2a_a:La-Mn-O-Pb-Ti,30.0,A4B5C18D2E_aP30_1_4a_5a_18a_2a_a:La-Mn-O-Pb-Ti +mp-690564,La2Mn3PbO9,-8.280443272,-2.5743829015,0.1593225571,0.1593225571,GGA+U,P-3c1,A2B3C9D_hP30_165_d_bd_fg_a:La-Mn-O-Pb,30.0,"Invalid WP multiplicities - A2B3C9D_hP30_165_d_2b2d_4f3g_a:La-Mn-O-Pb, expected La2Mn6PbO30 to be La2Mn3PbO9" +mp-1223172,La2Ti3CuO10,-8.7531663975,-3.3078798948,0.068828302,0.068828302,GGA,I-4m2,AB2C10D3_tI32_119_c_e_2e3f_ae:Cu-La-O-Ti,16.0,"Invalid WP multiplicities - AB2C10D3_tI32_119_c_e_2e4f_ae:Cu-La-O-Ti, expected La2Ti3CuO12 to be La2Ti3CuO10" +mp-1223189,La2TiCuO6,-8.348455548,-3.1937710316,0.0790948617,0.0790948617,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-La-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Cu-La-O-Ti, expected La2TiCuO10 to be La2TiCuO6" +mp-1228245,BaLa4Ti4O15,-9.0275068919,-3.7172859712,0.0304989723,0.0304989723,GGA,P3c1,AB4C15D4_hP48_158_a_a2bc_5d_ab2c:Ba-La-O-Ti,48.0,AB4C15D4_hP48_158_a_a2bc_5d_ab2c:Ba-La-O-Ti +mp-1228002,BaLa4Ti4O15,-9.0151972494,-3.7049763287,0.0428086148,0.0428086148,GGA,P-3c1,AB4C15D4_hP48_165_a_2d_f2g_cd:Ba-La-O-Ti,48.0,AB4C15D4_hP48_165_a_2d_f2g_cd:Ba-La-O-Ti +mp-1147699,Ba4Ti(CuO3)3,-6.6583616182,-2.4001727837,0.0505787109,0.0505787109,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Ti,34.0,"Invalid WP multiplicities - A4B3C9D_cP34_223_e_b_3c3f_a:Ba-Cu-O-Ti, expected Ba4Ti(CuO9)3 to be Ba4Ti(CuO3)3" +mp-1214655,Ba2La2Ti2Cu2O11,-7.9074462684,-3.0593969375,0.0150372091,0.0150372091,GGA,P4/mmm,A2B2C2D11E2_tP19_123_g_h_ab_ch2i_h:Ba-Cu-La-O-Ti,19.0,A2B2C2D11E2_tP19_123_g_h_ab_ch2i_h:Ba-Cu-La-O-Ti +mp-1223151,La2Ti2CuO8,-8.5765361592,-3.2430196513,0.104662841,0.104662841,GGA,P-4m2,AB2C8D2_tP13_115_a_g_ef2g_g:Cu-La-O-Ti,13.0,"Invalid WP multiplicities - AB2C8D2_tP13_115_a_g_2e2f2g_g:Cu-La-O-Ti, expected La2Ti2CuO12 to be La2Ti2CuO8" +mp-1228650,Ba2La4Ti5O18,-8.8685746583,-3.6237527553,0.0801038124,0.0801038124,GGA,R3m,A2B4C18D5_hR87_160_2a_4a_6b_5a:Ba-La-O-Ti,29.0,A2B4C18D5_hR87_160_2a_4a_6b_5a:Ba-La-O-Ti +mp-1204676,BaLa2Ti3O10,-8.9906188025,-3.681596783,0.0124683352,0.0124683352,GGA,Cmc2_1,AB2C10D3_oC64_36_a_2a_10a_3a:Ba-La-O-Ti,32.0,AB2C10D3_oC64_36_a_2a_10a_3a:Ba-La-O-Ti +mp-1200651,BaLa2Ti3O10,-8.9931286266,-3.684106607,0.0099585111,0.0099585111,GGA,Ama2,AB2C10D3_oC64_40_b_2b_a3b3c_ac:Ba-La-O-Ti,32.0,AB2C10D3_oC64_40_b_2b_a3b3c_ac:Ba-La-O-Ti +mp-1202623,BaLa2Ti3O10,-8.9910376316,-3.682015612,0.0120495061,0.0120495061,GGA,Cmcm,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-La-O-Ti,32.0,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-La-O-Ti +mp-1228859,BaLa2Ti3O10,-8.9310828494,-3.6220608298,0.0720042883,0.0720042883,GGA,Cmcm,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-La-O-Ti,,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-La-O-Ti +mp-695277,BaLaTiCuO6,-7.7780328075,-2.9250515076,0.0363980964,0.0363980964,GGA,Pmma,ABCD6E_oP40_51_2f_2e_2f_ac4f3i_2e:Ba-Cu-La-O-Ti,40.0,"Invalid WP multiplicities - ABCD6E_oP40_51_3f_4e_3f_2a2c6f11i_3e:Ba-Cu-La-O-Ti, expected Ba3La3Ti3(CuO8)4 to be BaLaTiCuO6" +mp-1227852,BaLaTiCuO6,-7.69161219,-2.8386308901,0.1228187139,0.1228187139,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cu-La-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cu-La-O-Ti +mp-1519829,BaLaTiCuO6,-6.754856234,-1.9018749341,1.0595746699,1.0595746699,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cu-La-O-Ti,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cu-La-O-Ti +mp-1521300,NaPrCr4O12,-7.6572094344,-1.8752157976,0.3054116239,0.3054116239,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Cr-Na-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Cr-Na-O-Pr, expected NaPrCr4O16 to be NaPrCr4O12" +mp-1210226,NaCr2FeO10,-6.8159088379,-1.2040853696,0.290397736,0.290397736,GGA+U,C2/m,A2BCD10_mC28_12_i_a_c_3ij:Cr-Fe-Na-O,14.0,A2BCD10_mC28_12_i_a_d_3ij:Cr-Fe-Na-O +mp-1193386,NaCr2FeO10,-6.8211889918,-1.2093655235,0.2851175821,0.2851175821,GGA+U,C2/c,A2BCD10_mC56_15_f_c_e_5f:Cr-Fe-Na-O,28.0,A2BCD10_mC56_15_f_a_e_5f:Cr-Fe-Na-O +mp-1210261,NaCr2FeO8,-7.4630799408,-1.7404006797,0.0031629434,0.0031629434,GGA+U,C2/m,A2BCD8_mC24_12_i_a_c_2ij:Cr-Fe-Na-O,12.0,A2BCD8_mC24_12_i_a_d_2ij:Cr-Fe-Na-O +mp-1517398,LiNdMn4O12,-7.3494065656,-1.6446623432,0.34078415,0.34078415,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Li-Mn-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Li-Mn-Nd-O, expected LiNdMn4O16 to be LiNdMn4O12" +mp-850530,Co3Ni3(TeO8)2,-6.3045169763,-1.1337255349,0.0897488318,0.0897488318,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Ni-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Ni-O-Te, expected Co3Ni3(TeO10)2 to be Co3Ni3(TeO8)2" +mp-772004,Li3Co3TeO8,-6.3536939687,-1.7024581308000002,0.0360040393,0.0360040393,GGA+U,C2/m,A3B3C8D_mC30_12_bf_ce_2ij_a:Co-Li-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_be_cf_4i2j_a:Co-Li-O-Te, expected Li3Co3TeO16 to be Li3Co3TeO8" +mp-756586,Li3Co3TeO8,-6.219104928,-1.5678690901,0.17059308,0.17059308,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Co-Li-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_2c2h_a:Co-Li-O-Te, expected Li3Co3TeO16 to be Li3Co3TeO8" +mp-772478,Li4Co3TeO8,-6.2431173475,-1.7632760703,0.0500906584,0.0500906584,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Co-Li-O-Te,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Co-Li-O-Te, expected Li4Co3TeO16 to be Li4Co3TeO8" +mp-781593,Li4Co5Te3O16,-6.2874953768,-1.5819876089,0.0958714063,0.0958714063,GGA+U,P1,A5B4C16D3_aP28_1_5a_4a_16a_3a:Co-Li-O-Te,28.0,A5B4C16D3_aP28_1_5a_4a_16a_3a:Co-Li-O-Te +mp-756161,Li3Co4TeO8,-6.3802928931,-1.5754894329,0.1118870086,0.1118870086,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Co-Li-O-Te,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_cf_4i2j_b:Co-Li-O-Te, expected Li3Co4TeO16 to be Li3Co4TeO8" +mp-1226017,CoNiTe2,-5.13508133,-0.3413147646,0.049292338,0.049292338,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Ni-Te,4.0,ABC2_hP4_164_a_b_d:Co-Ni-Te +mp-757998,Li2Ni3TeO8,-6.0126121793,-1.4501070824,0.0801613171,0.0589791868,GGA+U,C2/m,A2B3C8D_mC28_12_ab_ce_2ij_d:Li-Ni-O-Te,14.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_cd_ae_3i2j_b:Li-Ni-O-Te, expected Li2Ni3TeO14 to be Li2Ni3TeO8" +mp-1280510,Li2Ni3TeO8,-6.0927734964,-1.5302683995000002,0.0,-0.0211821303,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2a3e_3i3j_c:Li-Ni-O-Te, expected Li2Ni8TeO18 to be Li2Ni3TeO8" +mp-1305455,Li2Ni3TeO8,-6.0922187982,-1.5297137013,0.0005546982,-0.0206274321,GGA+U,C2/c,A2B3C8D_mC56_15_f_abc_4f_e:Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_mC56_15_f_2a2cd_10f_e:Li-Ni-O-Te, expected Li2Ni5TeO20 to be Li2Ni3TeO8" +mp-764098,Li2Ni3TeO8,-6.0923321671,-1.5298270702,0.0004413293,-0.020740801,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Ni-O-Te,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Ni-O-Te, expected Li2Ni3TeO10 to be Li2Ni3TeO8" +mp-771960,Li2Ni3TeO8,-6.0807534946,-1.5182483977,0.0120200018,-0.0091621285,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Ni-O-Te, expected Li3Ni3TeO30 to be Li2Ni3TeO8" +mp-1226048,CoNiTe4,-4.7496139483,-0.5060009403,0.0,-0.009433895,GGA,P2/m,ABC4_mP6_10_b_c_mn:Co-Ni-Te,6.0,"Invalid WP multiplicities - ABC4_mP6_10_b_c_m2n:Co-Ni-Te, expected CoNiTe6 to be CoNiTe4" +mp-1226054,CoNiTe4,-4.745375005,-0.5017619969,0.0042389433,-0.0051949517,GGA,C2/m,ABC4_mC12_12_a_d_2i:Co-Ni-Te,6.0,"Invalid WP multiplicities - ABC4_mC12_12_a_d_4i:Co-Ni-Te, expected CoNiTe8 to be CoNiTe4" +mp-1226039,CoNiTe4,-4.7030359192,-0.4594229111,0.0465780292,0.0371441342,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Co-Ni-Te,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Co-Ni-Te, expected CoNiTe8 to be CoNiTe4" +mp-1226586,Co2Ni2Te5,-5.0108831894,-0.4005011431,0.028570572,0.028570572,GGA,P-1,A2B2C5_aP18_2_2i_2i_5i:Co-Ni-Te,18.0,"Invalid WP multiplicities - A2B2C5_aP18_2_3i_2i_10i:Co-Ni-Te, expected Co3(NiTe5)2 to be Co2Ni2Te5" +mp-1178437,Co3Ni2Te3O16,-6.2643772958,-1.203453804,0.1368812157,0.1368812157,GGA+U,P1,A3B2C16D3_aP24_1_3a_2a_16a_3a:Co-Ni-O-Te,24.0,A3B2C16D3_aP24_1_3a_2a_16a_3a:Co-Ni-O-Te +mp-757443,Co3Ni2Te3O16,-6.272587285,-1.2116637931,0.1286712266,0.1286712266,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Co-Ni-O-Te,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Co-Ni-O-Te, expected Co3Ni2Te3O20 to be Co3Ni2Te3O16" +mp-1178026,Li2Co3TeO8,-6.412722535,-1.5656071992,0.0605825663,0.0605825663,GGA+U,P-1,A3B2C8D_aP14_2_acd_bg_4i_e:Co-Li-O-Te,14.0,"Invalid WP multiplicities - A3B2C8D_aP14_2_acd_bg_7i_e:Co-Li-O-Te, expected Li2Co3TeO14 to be Li2Co3TeO8" +mp-1178025,Li2Co3TeO8,-6.3792921707,-1.5321768349,0.0940129305,0.0940129305,GGA+U,Cc,A3B2C8D_mC56_9_3a_2a_8a_a:Co-Li-O-Te,28.0,"Invalid WP multiplicities - A3B2C8D_mC56_9_5a_3a_14a_a:Co-Li-O-Te, expected Li3Co5TeO14 to be Li2Co3TeO8" +mp-755343,Li2Co3TeO8,-6.38604196,-1.5389266242,0.0872631413,0.0872631413,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Li-O-Te,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Co-Li-O-Te, expected Li2Co3TeO10 to be Li2Co3TeO8" +mp-756871,Li4Ni3TeO8,-5.9597542181000005,-1.7289469,0.0436243191,0.0436243191,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Ni-O-Te,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-Te, expected Li4Ni3TeO16 to be Li4Ni3TeO8" +mp-757279,Li4Co3Ni3(TeO8)2,-6.2799597132,-1.5751494968,0.0355251113,0.0355251113,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-Te, expected Li4Co3Ni3(TeO10)2 to be Li4Co3Ni3(TeO8)2" +mp-1177536,Li3Ni3TeO8,-6.0265223833,-1.6409227684,0.0185738015,0.0185738015,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Li-Ni-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_d_e_2c2h_a:Li-Ni-O-Te, expected Li3Ni3TeO16 to be Li3Ni3TeO8" +mp-1222462,Li4CoTeO6,-5.9534373383,-1.9894833865,0.0,-0.0212463585,GGA+U,C2,AB4C6D_mC24_5_a_a3b_3c_a:Co-Li-O-Te,12.0,"Invalid WP multiplicities - AB4C6D_mC24_5_a_a3b_4c_a:Co-Li-O-Te, expected Li4CoTeO8 to be Li4CoTeO6" +mp-1075962,Sr5Ca3Ti3Mn5O24,-7.9251179497,-2.8580842376,0.0521595564,0.0521595564,GGA+U,P1,A3B5C24D5E3_aP40_1_3a_5a_24a_5a_3a:Ca-Mn-O-Sr-Ti,40.0,A3B5C24D5E3_aP40_1_3a_5a_24a_5a_3a:Ca-Mn-O-Sr-Ti +mp-1076170,Sr3CaTi3MnO10,-8.1432127825,-3.1771317439,0.1511182565,0.1511182565,GGA+U,P1,ABC10D3E3_aP144_1_8a_8a_80a_24a_24a:Ca-Mn-O-Sr-Ti,144.0,ABC10D3E3_aP144_1_8a_8a_80a_24a_24a:Ca-Mn-O-Sr-Ti +mp-1077659,Sr5Ca3Ti5Mn3O24,-8.135518708,-3.1318111596,0.0399253565,0.0399253565,GGA+U,P1,A3B3C24D5E5_aP40_1_3a_3a_24a_5a_5a:Ca-Mn-O-Sr-Ti,40.0,A3B3C24D5E5_aP40_1_3a_3a_24a_5a_5a:Ca-Mn-O-Sr-Ti +mp-1247647,SrCa7Ti2Mn6O22,-7.9185608566,-2.7785892764,0.0745554623,0.0745554623,GGA+U,P1,A7B6C22DE2_aP152_1_28a_24a_88a_4a_8a:Ca-Mn-O-Sr-Ti,152.0,A7B6C22DE2_aP152_1_28a_24a_88a_4a_8a:Ca-Mn-O-Sr-Ti +mp-1247655,SrCa7Ti2Mn6O22,-7.8972149761,-2.7572433959,0.0959013428,0.0959013428,GGA+U,P1,A7B6C22DE2_aP38_1_7a_6a_22a_a_2a:Ca-Mn-O-Sr-Ti,38.0,A7B6C22DE2_aP38_1_7a_6a_22a_a_2a:Ca-Mn-O-Sr-Ti +mp-1076827,Sr7CaTi3Mn5O24,-7.9192937095,-2.8680653187000003,0.0343353881,0.0343353881,GGA+U,Cm,AB5C24D7E3_mC80_8_a_3ab_4a10b_3a2b_ab:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB5C24D7E3_mC80_8_a_3ab_4a20b_3a4b_ab:Ca-Mn-O-Sr-Ti, expected Sr11CaTi3Mn5O44 to be Sr7CaTi3Mn5O24" +mp-1206645,Sr2TiMnO6,-8.040935327,-3.0292726787,0.0,-0.0024490407,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Mn-O-Sr-Ti,20.0,AB6C2D_tI20_87_a_eh_d_b:Mn-O-Sr-Ti +mp-1218381,Sr2TiMnO6,-8.0313972318,-3.0197345835,0.0095380953,0.0070890545,GGA+U,P4/mmm,AB6C2D_tP10_123_a_bdj_e_c:Mn-O-Sr-Ti,40.0,AB6C2D_tP10_123_a_bdj_e_c:Mn-O-Sr-Ti +mp-1218688,Sr2TiMnO6,-8.022434739,-3.0107720907,0.018500588,0.0160515473,GGA+U,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Mn-O-Sr-Ti,20.0,AB6C2D_tP10_123_a_efg_h_b:Mn-O-Sr-Ti +mp-1099881,Sr2TiMnO6,-8.026855673,-3.0151930247,0.014079654,0.0116306133,GGA+U,Pm-3m,AB6C2D_cP40_221_ad_efh_g_bc:Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB6C2D_cP40_221_ad_5e5f6h_g_bc:Mn-O-Sr-Ti, expected Sr2TiMnO33 to be Sr2TiMnO6" +mp-1218686,Sr2TiMnO6,-8.0409097115,-3.0292470632,2.56155e-05,-0.0024234252,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Ti,20.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Ti +mp-1247610,SrCa7TiMn7O23,-7.7982514327,-2.6307608677000003,0.0596412572,0.0596412572,GGA+U,P1,A7B7C23DE_aP156_1_28a_28a_92a_4a_4a:Ca-Mn-O-Sr-Ti,156.0,A7B7C23DE_aP156_1_28a_28a_92a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1247726,SrCa7TiMn7O23,-7.7987801054,-2.6312895404,0.0591125845,0.0591125845,GGA+U,Cm,A7B7C23DE_mC78_8_3a2b_3a2b_3a10b_a_a:Ca-Mn-O-Sr-Ti,39.0,"Invalid WP multiplicities - A7B7C23DE_mC78_8_3a4b_3a4b_3a20b_a_a:Ca-Mn-O-Sr-Ti, expected SrCa11TiMn11O43 to be SrCa7TiMn7O23" +mp-1099855,Sr3CaTiMn3O12,-7.8144929907,-2.7236988574,0.0518298774,0.0518298774,GGA+U,Pma2,AB3C12D3E_oP40_28_c_a2b_2a2b4c2d_3c_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB3C12D3E_oP40_28_c_2a4b_4a4b8c4d_6c_a:Ca-Mn-O-Sr-Ti, expected Sr6CaTiMn6O24 to be Sr3CaTiMn3O12" +mp-1099702,Sr2Ca6TiMn7O24,-7.7223727182,-2.5683048603,0.0914092156,0.0914092156,GGA+U,Amm2,A6B7C24D2E_oC80_38_cf_a2bde_2c4d4ef_c_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A6B7C24D2E_oC80_38_2c3f_a2bde_4c8d8e2f_c_a:Ca-Mn-O-Sr-Ti, expected Sr2Ca16TiMn7O48 to be Sr2Ca6TiMn7O24" +mp-1077695,Sr3Ca5TiMn7O20,-7.8541268401,-2.6857975889,0.0653609857,0.0653609857,GGA+U,P1,A5B7C20D3E_aP144_1_20a_28a_80a_12a_4a:Ca-Mn-O-Sr-Ti,144.0,A5B7C20D3E_aP144_1_20a_28a_80a_12a_4a:Ca-Mn-O-Sr-Ti +mp-1076134,Sr3Ca5Ti3Mn5O20,-8.0585110981,-2.960544251,0.0607880633,0.0607880633,GGA+U,P1,A5B5C20D3E3_aP144_1_20a_20a_80a_12a_12a:Ca-Mn-O-Sr-Ti,144.0,A5B5C20D3E3_aP144_1_20a_20a_80a_12a_12a:Ca-Mn-O-Sr-Ti +mp-1076877,Sr2Ca6TiMn7O20,-7.8682564859,-2.6911465005,0.0683419535,0.0683419535,GGA+U,P1,A6B7C20D2E_aP144_1_24a_28a_80a_8a_4a:Ca-Mn-O-Sr-Ti,144.0,A6B7C20D2E_aP144_1_24a_28a_80a_8a_4a:Ca-Mn-O-Sr-Ti +mp-1099889,Sr7CaTi7MnO20,-8.142321261,-3.2202021586,0.1173343698,0.1173343698,GGA+U,P1,ABC20D7E7_aP144_1_4a_4a_80a_28a_28a:Ca-Mn-O-Sr-Ti,144.0,ABC20D7E7_aP144_1_4a_4a_80a_28a_28a:Ca-Mn-O-Sr-Ti +mp-1076628,Sr3Ca5Ti3Mn5O24,-7.931439152,-2.8486001185000003,0.0689523448,0.0689523448,GGA+U,P1,A5B5C24D3E3_aP40_1_5a_5a_24a_3a_3a:Ca-Mn-O-Sr-Ti,40.0,A5B5C24D3E3_aP40_1_5a_5a_24a_3a_3a:Ca-Mn-O-Sr-Ti +mp-1076561,Sr4Ca4TiMn7O24,-7.7141456357,-2.5758830991,0.0765223074,0.0765223074,GGA+U,Cm,A4B7C24D4E_mC80_8_2ab_3a2b_4a10b_2ab_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A4B7C24D4E_mC80_8_2a2b_3a4b_4a20b_2a2b_a:Ca-Mn-O-Sr-Ti, expected Sr6Ca6TiMn11O44 to be Sr4Ca4TiMn7O24" +mp-1076138,Sr3CaTi2Mn2O12,-8.0305425485,-3.0030745789,0.0342612415,0.0342612415,GGA+U,Cmm2,AB2C12D3E2_oC80_35_d_2ac_2a2b2c4f_d2e_2bc:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB2C12D3E2_oC80_35_d_2a2c_2a2b4c12f_2d4e_2b2c:Ca-Mn-O-Sr-Ti, expected Sr6CaTi3Mn3O30 to be Sr3CaTi2Mn2O12" +mp-1076192,Sr5Ca3TiMn7O20,-7.8314737747,-2.6807059915,0.053792824,0.053792824,GGA+U,P1,A3B7C20D5E_aP144_1_12a_28a_80a_20a_4a:Ca-Mn-O-Sr-Ti,144.0,A3B7C20D5E_aP144_1_12a_28a_80a_20a_4a:Ca-Mn-O-Sr-Ti +mp-1076875,Sr3CaTi2Mn2O10,-8.1215883917,-3.0851449489,0.0515651956,0.0515651956,GGA+U,P1,AB2C10D3E2_aP144_1_8a_16a_80a_24a_16a:Ca-Mn-O-Sr-Ti,144.0,AB2C10D3E2_aP144_1_8a_16a_80a_24a_16a:Ca-Mn-O-Sr-Ti +mp-1247577,SrCa7TiMn7O22,-7.8163303644,-2.6430292244,0.075829442,0.075829442,GGA+U,P1,A7B7C22DE_aP152_1_28a_28a_88a_4a_4a:Ca-Mn-O-Sr-Ti,152.0,A7B7C22DE_aP152_1_28a_28a_88a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1247581,SrCa7TiMn7O22,-7.7923590418,-2.6190579018,0.0998007646,0.0998007646,GGA+U,Cm,A7B7C22DE_mC76_8_3a2b_3a2b_2a10b_a_a:Ca-Mn-O-Sr-Ti,38.0,"Invalid WP multiplicities - A7B7C22DE_mC76_8_3a4b_3a4b_2a20b_a_a:Ca-Mn-O-Sr-Ti, expected SrCa11TiMn11O42 to be SrCa7TiMn7O22" +mp-1099762,Sr5Ca3Ti3Mn5O20,-8.0337257688,-2.9533203899,0.0548725646,0.0548725646,GGA+U,P1,A3B5C20D5E3_aP144_1_12a_20a_80a_20a_12a:Ca-Mn-O-Sr-Ti,144.0,A3B5C20D5E3_aP144_1_12a_20a_80a_20a_12a:Ca-Mn-O-Sr-Ti +mp-1099703,Sr3CaTi3MnO12,-8.2354192443,-3.2712774384,0.0275511041,0.0275511041,GGA+U,Pma2,ABC12D3E3_oP40_28_c_a_2a2b4c2d_3c_a2b:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - ABC12D3E3_oP40_28_c_a_2a2b4c4d_6c_a2b:Ca-Mn-O-Sr-Ti, expected Sr6CaTi3MnO16 to be Sr3CaTi3MnO12" +mp-1076680,Sr2Ca2TiMn3O10,-7.941785199,-2.8174178839,0.0622578806,0.0622578806,GGA+U,P1,A2B3C10D2E_aP144_1_16a_24a_80a_16a_8a:Ca-Mn-O-Sr-Ti,144.0,A2B3C10D2E_aP144_1_16a_24a_80a_16a_8a:Ca-Mn-O-Sr-Ti +mp-1076074,SrCa3TiMn3O12,-7.8322903365,-2.7098855604,0.0805748765,0.0805748765,GGA+U,Amm2,A3B3C12DE_oC40_38_ad_be_2ad4e_a_b:Ca-Mn-O-Sr-Ti,40.0,A3B3C12DE_oC40_38_ad_be_2ad4e_a_b:Ca-Mn-O-Sr-Ti +mp-1075948,Sr7CaTi5Mn3O24,-8.1315965805,-3.1436943534,0.0205763116,0.0205763116,GGA+U,Cm,AB3C24D7E5_mC80_8_a_ab_4a10b_3a2b_3ab:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB3C24D7E5_mC80_8_a_ab_4a18b_3a4b_3ab:Ca-Mn-O-Sr-Ti, expected Sr11CaTi5Mn3O40 to be Sr7CaTi5Mn3O24" +mp-1077669,Sr2Ca2TiMn3O12,-7.820559066,-2.7139596113,0.0691921563,0.0691921563,GGA+U,Pm,A2B3C12D2E_mP40_6_2a2b_3c_4a4b8c_2a2b_c:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A2B3C12D2E_mP40_6_2a2b_6c_4a4b16c_2a2b_c:Ca-Mn-O-Sr-Ti, expected Sr2Ca2TiMn6O20 to be Sr2Ca2TiMn3O12" +mp-1247689,SrCa7Ti3Mn5O22,-8.0026531513,-2.896011131,0.0914196799,0.0914196799,GGA+U,P1,A7B5C22DE3_aP38_1_7a_5a_22a_a_3a:Ca-Mn-O-Sr-Ti,38.0,A7B5C22DE3_aP38_1_7a_5a_22a_a_3a:Ca-Mn-O-Sr-Ti +mp-1247696,SrCa7Ti3Mn5O22,-8.0203896016,-2.9137475813,0.0736832296,0.0736832296,GGA+U,P1,A7B5C22DE3_aP152_1_28a_20a_88a_4a_12a:Ca-Mn-O-Sr-Ti,152.0,A7B5C22DE3_aP152_1_28a_20a_88a_4a_12a:Ca-Mn-O-Sr-Ti +mp-1077688,SrCa7TiMn7O20,-7.8813921625,-2.6955014431,0.0711434241,0.0711434241,GGA+U,P1,A7B7C20DE_aP144_1_28a_28a_80a_4a_4a:Ca-Mn-O-Sr-Ti,144.0,A7B7C20DE_aP144_1_28a_28a_80a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1247573,SrCa7TiMn7O20,-7.8510414853,-2.6651507659,0.1014941012,0.1014941012,GGA+U,P1,A7B7C20DE_aP144_1_28a_28a_80a_4a_4a:Ca-Mn-O-Sr-Ti,144.0,A7B7C20DE_aP144_1_28a_28a_80a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1247603,SrCa7TiMn7O20,-7.7577421203,-2.5718514008,0.1947934663,0.1947934663,GGA+U,Cm,A7B7C20DE_mC72_8_3a2b_3a2b_2a9b_a_a:Ca-Mn-O-Sr-Ti,36.0,"Invalid WP multiplicities - A7B7C20DE_mC72_8_3a4b_3a4b_2a18b_a_a:Ca-Mn-O-Sr-Ti, expected SrCa11TiMn11O38 to be SrCa7TiMn7O20" +mp-1247602,SrCa7TiMn7O24,-7.7764441557,-2.6144736371,0.0488947734,0.0488947734,GGA+U,P1,A7B7C24DE_aP160_1_28a_28a_96a_4a_4a:Ca-Mn-O-Sr-Ti,160.0,A7B7C24DE_aP160_1_28a_28a_96a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1077663,SrCa7TiMn7O24,-7.7261584155,-2.5641878969,0.0991805137,0.0991805137,GGA+U,R3m,A7B7C24DE_hR120_160_a2b_a2b_4b2c_a_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A7B7C24DE_hR120_160_a6b_a4b_12b9c_a_a:Ca-Mn-O-Sr-Ti, expected SrCa19TiMn13O90 to be SrCa7TiMn7O24" +mp-1218391,SrCaTiMnO6,-8.0649125715,-3.0216392805,0.0230052092,0.0230052092,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:Ca-Mn-O-Sr-Ti,20.0,ABC6DE_mP20_4_a_a_6a_a_a:Ca-Mn-O-Sr-Ti +mp-1278576,SrCaTiMnO6,-8.049276725,-3.006003434,0.0386410557,0.0386410557,GGA+U,Pma2,ABC6DE_oP20_28_c_c_2a2b2c_c_c:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - ABC6DE_oP20_28_c_c_6a8b2c_c_c:Ca-Mn-O-Sr-Ti, expected SrCaTiMnO16 to be SrCaTiMnO6" +mp-1218351,SrCaTiMnO6,-8.0336380945,-2.9903648035,0.0542796862,0.0542796862,GGA+U,P4mm,ABC6DE_tP10_99_b_a_2a2c_b_a:Ca-Mn-O-Sr-Ti,20.0,ABC6DE_tP10_99_b_a_2a2c_b_a:Ca-Mn-O-Sr-Ti +mp-1247582,SrCa7Ti3Mn5O21,-8.0114027814,-2.9004376987,0.1107517678,0.1107517678,GGA+U,P1,A7B5C21DE3_aP37_1_7a_5a_21a_a_3a:Ca-Mn-O-Sr-Ti,37.0,A7B5C21DE3_aP37_1_7a_5a_21a_a_3a:Ca-Mn-O-Sr-Ti +mp-1247645,SrCa7Ti3Mn5O21,-8.0356711805,-2.9247060978,0.0864833687,0.0864833687,GGA+U,P1,A7B5C21DE3_aP148_1_28a_20a_84a_4a_12a:Ca-Mn-O-Sr-Ti,148.0,A7B5C21DE3_aP148_1_28a_20a_84a_4a_12a:Ca-Mn-O-Sr-Ti +mp-1247572,SrCa7TiMn7O21,-7.833038007,-2.6536122067,0.0952411925,0.0952411925,GGA+U,P1,A7B7C21DE_aP148_1_28a_28a_84a_4a_4a:Ca-Mn-O-Sr-Ti,148.0,A7B7C21DE_aP148_1_28a_28a_84a_4a_4a:Ca-Mn-O-Sr-Ti +mp-1247574,SrCa7TiMn7O21,-7.8430408257,-2.6636150254,0.0852383739,0.0852383739,GGA+U,P1,A7B7C21DE_aP37_1_7a_7a_21a_a_a:Ca-Mn-O-Sr-Ti,37.0,A7B7C21DE_aP37_1_7a_7a_21a_a_a:Ca-Mn-O-Sr-Ti +mp-1247600,SrCa7Ti3Mn5O20,-8.0446163678,-2.9290880526,0.0933103557,0.0933103557,GGA+U,P1,A7B5C20DE3_aP144_1_28a_20a_80a_4a_12a:Ca-Mn-O-Sr-Ti,144.0,A7B5C20DE3_aP144_1_28a_20a_80a_4a_12a:Ca-Mn-O-Sr-Ti +mp-1247669,SrCa7Ti3Mn5O20,-8.0302297794,-2.9147014642,0.1076969441,0.1076969441,GGA+U,P1,A7B5C20DE3_aP36_1_7a_5a_20a_a_3a:Ca-Mn-O-Sr-Ti,36.0,A7B5C20DE3_aP36_1_7a_5a_20a_a_3a:Ca-Mn-O-Sr-Ti +mp-1076776,SrCa3TiMn3O10,-7.9676247916,-2.8256960083,0.0682925824,0.0682925824,GGA+U,P1,A3B3C10DE_aP144_1_24a_24a_80a_8a_8a:Ca-Mn-O-Sr-Ti,144.0,A3B3C10DE_aP144_1_24a_24a_80a_8a_8a:Ca-Mn-O-Sr-Ti +mp-1076570,Sr7CaTi7MnO24,-8.337221999,-3.4126459357,0.0132746332,0.0132746332,GGA+U,R3m,ABC24D7E7_hR120_160_a_a_4b2c_a2b_a2b:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - ABC24D7E7_hR120_160_a_a_12b10c_a6b_a4b:Ca-Mn-O-Sr-Ti, expected Sr19CaTi13MnO96 to be Sr7CaTi7MnO24" +mp-1076202,Sr7CaTi5Mn3O20,-8.1332051828,-3.1407236762,0.0857734494,0.0857734494,GGA+U,P1,AB3C20D7E5_aP144_1_4a_12a_80a_28a_20a:Ca-Mn-O-Sr-Ti,144.0,AB3C20D7E5_aP144_1_4a_12a_80a_28a_20a:Ca-Mn-O-Sr-Ti +mp-1076627,Sr2TiMnO5,-8.0990011633,-3.0801191887,0.0392921011,0.0392921011,GGA+U,Ima2,AB5C2D_oI36_46_b_b2c_c_a:Mn-O-Sr-Ti,36.0,AB5C2D_oI36_46_b_b2c_c_a:Mn-O-Sr-Ti +mp-1247714,SrCa7Ti3Mn5O24,-7.98227512,-2.8836307652,0.0348811827,0.0348811827,GGA+U,P1,A7B5C24DE3_aP160_1_28a_20a_96a_4a_12a:Ca-Mn-O-Sr-Ti,160.0,A7B5C24DE3_aP160_1_28a_20a_96a_4a_12a:Ca-Mn-O-Sr-Ti +mp-1247718,SrCa7Ti3Mn5O24,-7.9372853712,-2.8386410164,0.0798709315,0.0798709315,GGA+U,Cm,A7B5C24DE3_mC80_8_3a2b_3ab_4a10b_a_ab:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A7B5C24DE3_mC80_8_3a4b_3a2b_4a20b_a_ab:Ca-Mn-O-Sr-Ti, expected SrCa11Ti3Mn7O44 to be SrCa7Ti3Mn5O24" +mp-1099799,Sr4Ca4TiMn7O20,-7.8412232819,-2.6816747647,0.0611539304,0.0611539304,GGA+U,P1,A4B7C20D4E_aP144_1_16a_28a_80a_16a_4a:Ca-Mn-O-Sr-Ti,144.0,A4B7C20D4E_aP144_1_16a_28a_80a_16a_4a:Ca-Mn-O-Sr-Ti +mp-1247576,SrCa7Ti2Mn6O20,-7.9617474833,-2.811037966,0.0834836717,0.0834836717,GGA+U,P1,A7B6C20DE2_aP36_1_7a_6a_20a_a_2a:Ca-Mn-O-Sr-Ti,36.0,A7B6C20DE2_aP36_1_7a_6a_20a_a_2a:Ca-Mn-O-Sr-Ti +mp-1247691,SrCa7Ti2Mn6O20,-7.9463017513,-2.795592234,0.0989294037,0.0989294037,GGA+U,P1,A7B6C20DE2_aP144_1_28a_24a_80a_4a_8a:Ca-Mn-O-Sr-Ti,144.0,A7B6C20DE2_aP144_1_28a_24a_80a_4a_8a:Ca-Mn-O-Sr-Ti +mp-1099877,SrCaTiMnO5,-8.1498734451,-3.0958685342,0.0528075037,0.0528075037,GGA+U,P1,ABC5DE_aP144_1_16a_16a_80a_16a_16a:Ca-Mn-O-Sr-Ti,144.0,ABC5DE_aP144_1_16a_16a_80a_16a_16a:Ca-Mn-O-Sr-Ti +mp-1076183,Sr7CaTi3Mn5O20,-8.0081404469,-2.9452965361,0.0460768855,0.0460768855,GGA+U,P1,AB5C20D7E3_aP144_1_4a_20a_80a_28a_12a:Ca-Mn-O-Sr-Ti,144.0,AB5C20D7E3_aP144_1_4a_20a_80a_28a_12a:Ca-Mn-O-Sr-Ti +mp-1076217,Sr3Ca5TiMn7O24,-7.7186557755,-2.5724905782,0.083569163,0.083569163,GGA+U,Cm,A5B7C24D3E_mC80_8_3ab_3a2b_4a10b_ab_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A5B7C24D3E_mC80_8_3a2b_3a4b_4a20b_a2b_a:Ca-Mn-O-Sr-Ti, expected Sr5Ca7TiMn11O44 to be Sr3Ca5TiMn7O24" +mp-1075976,Sr5Ca3TiMn7O24,-7.711378302,-2.5810184261,0.0676383368,0.0676383368,GGA+U,Cm,A3B7C24D5E_mC80_8_ab_3a2b_4a10b_3ab_a:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A3B7C24D5E_mC80_8_a2b_3a4b_4a20b_3a2b_a:Ca-Mn-O-Sr-Ti, expected Sr7Ca5TiMn11O44 to be Sr5Ca3TiMn7O24" +mp-1247639,SrCa7Ti3Mn5O23,-8.0032042242,-2.9006635708,0.0514242335,0.0514242335,GGA+U,P1,A7B5C23DE3_aP156_1_28a_20a_92a_4a_12a:Ca-Mn-O-Sr-Ti,156.0,A7B5C23DE3_aP156_1_28a_20a_92a_4a_12a:Ca-Mn-O-Sr-Ti +mp-1247721,SrCa7Ti3Mn5O23,-7.9645893567,-2.8620487033,0.090039101,0.090039101,GGA+U,P1,A7B5C23DE3_aP39_1_7a_5a_23a_a_3a:Ca-Mn-O-Sr-Ti,39.0,A7B5C23DE3_aP39_1_7a_5a_23a_a_3a:Ca-Mn-O-Sr-Ti +mp-1247584,SrCa7Ti2Mn6O23,-7.9002257792,-2.76521017,0.0560347946,0.0560347946,GGA+U,P1,A7B6C23DE2_aP156_1_28a_24a_92a_4a_8a:Ca-Mn-O-Sr-Ti,156.0,A7B6C23DE2_aP156_1_28a_24a_92a_4a_8a:Ca-Mn-O-Sr-Ti +mp-1247592,SrCa7Ti2Mn6O23,-7.8704412972,-2.7354256880000003,0.0858192766,0.0858192766,GGA+U,P1,A7B6C23DE2_aP39_1_7a_6a_23a_a_2a:Ca-Mn-O-Sr-Ti,39.0,A7B6C23DE2_aP39_1_7a_6a_23a_a_2a:Ca-Mn-O-Sr-Ti +mp-1076557,Sr5Ca3Ti5Mn3O20,-8.1601145001,-3.1500715254,0.0883914938,0.0883914938,GGA+U,P1,A3B3C20D5E5_aP144_1_12a_12a_80a_20a_20a:Ca-Mn-O-Sr-Ti,144.0,A3B3C20D5E5_aP144_1_12a_12a_80a_20a_20a:Ca-Mn-O-Sr-Ti +mp-1247570,SrCa7Ti2Mn6O21,-7.9367427583,-2.7915473168,0.095221508,0.095221508,GGA+U,P1,A7B6C21DE2_aP148_1_28a_24a_84a_4a_8a:Ca-Mn-O-Sr-Ti,148.0,A7B6C21DE2_aP148_1_28a_24a_84a_4a_8a:Ca-Mn-O-Sr-Ti +mp-1247580,SrCa7Ti2Mn6O21,-7.9270526884,-2.7818572469,0.104911578,0.104911578,GGA+U,P1,A7B6C21DE2_aP37_1_7a_6a_21a_a_2a:Ca-Mn-O-Sr-Ti,37.0,A7B6C21DE2_aP37_1_7a_6a_21a_a_2a:Ca-Mn-O-Sr-Ti +mp-1076505,Sr3CaTiMn3O10,-7.9167588533,-2.8099530064,0.0530629991,0.0530629991,GGA+U,P1,AB3C10D3E_aP144_1_8a_24a_80a_24a_8a:Ca-Mn-O-Sr-Ti,144.0,AB3C10D3E_aP144_1_8a_24a_80a_24a_8a:Ca-Mn-O-Sr-Ti +mp-1247687,SrCa7Ti2Mn6O24,-7.8798391259,-2.7495316891,0.0414084901,0.0414084901,GGA+U,P1,A7B6C24DE2_aP160_1_28a_24a_96a_4a_8a:Ca-Mn-O-Sr-Ti,160.0,A7B6C24DE2_aP160_1_28a_24a_96a_4a_8a:Ca-Mn-O-Sr-Ti +mp-1247654,SrCa7Ti2Mn6O24,-7.831422002,-2.7011145653,0.0898256139,0.0898256139,GGA+U,Amm2,A7B6C24DE2_oC80_38_a2bde_cf_2a2bde4f_a_c:Ca-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A7B6C24DE2_oC80_38_a2bde_2c2f_2a2bde16f_a_c:Ca-Mn-O-Sr-Ti, expected SrCa7Ti2Mn12O72 to be SrCa7Ti2Mn6O24" +mp-1104462,Ca(Al2Fe)4,-5.4139637885,-0.3485567608,0.0,-0.0203597736,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ca-Fe,13.0,A8BC4_tI26_139_ij_a_f:Al-Ca-Fe +mp-1227858,Ca6Al2Fe4O15,-7.4773835767,-2.7512663008,0.0316461419,0.0316461419,GGA+U,P1,A2B6C4D15_aP108_1_8a_24a_16a_60a:Al-Ca-Fe-O,108.0,A2B6C4D15_aP108_1_8a_24a_16a_60a:Al-Ca-Fe-O +mp-1228507,Ba2(CaAl3)3,-3.4007119057,-0.2889310493,0.0081655602,0.0081655602,GGA,R3m,A9B2C3_hR42_160_3a2b_2a_3a:Al-Ba-Ca,14.0,A9B2C3_hR42_160_3a2b_2a_3a:Al-Ba-Ca +mp-1519251,BaCa(FeO3)4,-6.8424472778,-1.4443959336,0.2503244164,0.2503244164,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Ca-Fe-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Ca-Fe-O, expected BaCa(FeO4)4 to be BaCa(FeO3)4" +mp-1048153,Ba2AlFe3O8,-7.3319619271,-2.1485977107,0.2809904242,0.2809904242,GGA+U,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Fe-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Fe-O, expected Ba2AlFe5O16 to be Ba2AlFe3O8" +mp-1229206,BaCa(Fe12O19)2,-7.8985505569,-1.7238746993,0.0784250533,0.0784250533,GGA+U,P-6m2,ABC24D38_hP64_187_c_f_abg2h2i2n_2ghijk4n:Ba-Ca-Fe-O,64.0,"Invalid WP multiplicities - ABC24D38_hP64_187_c_f_abg2h4i3n_3gh2ijk6n:Ba-Ca-Fe-O, expected BaCa(Fe17O27)2 to be BaCa(Fe12O19)2" +mp-1048504,Ba2AlFe3O7,-7.3878025131,-2.1862324886,0.2215864232,0.2215864232,GGA+U,P1,AB2C3D7_aP13_1_a_2a_3a_7a:Al-Ba-Fe-O,13.0,AB2C3D7_aP13_2_f_i_ci_a3i:Al-Ba-Fe-O +mp-1253719,Ba2AlFe3O7,-7.4721847431,-2.2706147186,0.1372041932,0.1372041932,GGA+U,P1,AB2C3D7_aP13_1_a_2a_3a_7a:Al-Ba-Fe-O,13.0,AB2C3D7_aP13_1_a_2a_3a_7a:Al-Ba-Fe-O +mp-1234250,Ba2CaAl2(Fe4O7)2,-7.5533917811,-1.9849283345,0.2511309805,0.2511309805,GGA+U,P1,A2B2CD8E14_aP27_1_2a_2a_a_8a_14a:Al-Ba-Ca-Fe-O,27.0,A2B2CD8E14_aP27_1_2a_2a_a_8a_14a:Al-Ba-Ca-Fe-O +mp-18950,BaCa(FeO2)4,-7.6339086493,-2.1068965529,0.0327068542,0.0327068542,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Fe-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Fe-O +mp-1214299,CaAlFe3O7,-7.8053367891,-2.3229984292,0.0356053403,0.0356053403,GGA+U,P-1,ABC3D7_aP96_2_4i_4i_12i_28i:Al-Ca-Fe-O,96.0,ABC3D7_aP96_2_4i_4i_12i_28i:Al-Ca-Fe-O +mp-1048359,BaAlFe4O7,-7.6807231438,-1.9752264832,0.2000345222,0.2000345222,GGA+U,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Fe-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Fe-O +mp-1227241,Ca8Al3(FeO4)5,-7.4660527553,-2.783680344,0.0399840193,0.0399840193,GGA+U,P1,A3B8C5D20_aP36_1_3a_8a_5a_20a:Al-Ca-Fe-O,36.0,A3B8C5D20_aP36_1_3a_8a_5a_20a:Al-Ca-Fe-O +mp-1193438,BaCaFe4O7,-7.6467265665,-2.0750742097,0.0276013107,0.0276013107,GGA+U,Cc,ABC4D7_mC52_9_a_a_4a_7a:Ba-Ca-Fe-O,26.0,"Invalid WP multiplicities - ABC4D7_mC52_9_a_a_7a_13a:Ba-Ca-Fe-O, expected BaCaFe7O13 to be BaCaFe4O7" +mp-1257214,Ca2AlFeO5,-7.4736410417,-2.9225032243,0.0234169008,0.0234169008,GGA+U,Ima2,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Fe-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Fe-O +mp-1227552,Ca2AlFeO5,-7.4565511144,-2.9054132971,0.040506828,0.040506828,GGA+U,Pnma,AB2CD5_oP36_62_a_d_c_c2d:Al-Ca-Fe-O,36.0,AB2CD5_oP36_62_a_d_c_c2d:Al-Ca-Fe-O +mp-768392,Li24Ti7Cr5O36,-7.2154974996,-2.6678777236,0.012362595,0.012362595,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-771282,Li24Ti7Cr5O36,-7.2146381883,-2.6670184123,0.0132219062,0.0132219062,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768420,Li24Ti7Cr5O36,-7.2082066043,-2.6605868283,0.0196534902,0.0196534902,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768449,Li24Ti7Cr5O36,-7.2150352736,-2.6674154976,0.0128248209,0.0128248209,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768405,Li24Ti7Cr5O36,-7.2147736713,-2.6671538953,0.0130864233,0.0130864233,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768391,Li24Ti7Cr5O36,-7.2153425503,-2.6677227743,0.0125175443,0.0125175443,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768406,Li24Ti7Cr5O36,-7.2123483118,-2.6647285358,0.0155117827,0.0155117827,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768430,Li24Ti7Cr5O36,-7.2126160628,-2.6649962868,0.0152440318,0.0152440318,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-768475,Li24Ti7Cr5O36,-7.2143938568,-2.6667740808,0.0134662377,0.0134662377,GGA+U,P1,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti,72.0,A5B24C36D7_aP72_1_5a_24a_36a_7a:Cr-Li-O-Ti +mp-755762,Li3Ti3CrO8,-8.1402008767,-2.8975474227,0.0780624184,0.0780624184,GGA+U,R-3m,AB3C8D3_hR45_166_a_d_ch_e:Cr-Li-O-Ti,15.0,"Invalid WP multiplicities - AB3C8D3_hR45_166_a_d_2c2h_e:Cr-Li-O-Ti, expected Li3Ti3CrO16 to be Li3Ti3CrO8" +mp-756280,Li2Ti3CrO8,-8.5458865518,-3.0651094844,0.002243393,0.002243393,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Li-O-Ti,56.0,AB2C8D3_hR42_166_a_c_ch_d:Cr-Li-O-Ti +mp-777904,Li2Ti3CrO8,-8.5156973221,-3.0349202548,0.0324326226,0.0324326226,GGA+U,P6_3mc,AB2C8D3_hP28_186_b_ab_ab2c_c:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - AB2C8D3_hP28_186_b_a2b_a2b9c_c:Cr-Li-O-Ti, expected Li3Ti3CrO30 to be Li2Ti3CrO8" +mp-774760,Li2Ti3CrO8,-8.5431825475,-3.0624054801,0.0049473973,0.0049473973,GGA+U,P4_332,AB2C8D3_cP56_212_a_c_ce_d:Cr-Li-O-Ti,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_212_a_c_8c9e_d:Cr-Li-O-Ti, expected Li2Ti3CrO70 to be Li2Ti3CrO8" +mp-777735,Li32Ti5Cr11O48,-7.080597558,-2.4536436817,0.0300689863,0.0300689863,GGA+U,P1,A11B32C48D5_aP96_1_11a_32a_48a_5a:Cr-Li-O-Ti,96.0,A11B32C48D5_aP96_1_11a_32a_48a_5a:Cr-Li-O-Ti +mp-777532,Li32Ti5Cr11O48,-7.0815855256,-2.4546316493,0.0290810187,0.0290810187,GGA+U,C2,A11B32C48D5_mC192_5_a2b4c_ab15c_24c_a2c:Cr-Li-O-Ti,96.0,"Invalid WP multiplicities - A11B32C48D5_mC192_5_a2b8c_ab28c_48c_a4c:Cr-Li-O-Ti, expected Li58Ti9Cr19O96 to be Li32Ti5Cr11O48" +mp-768397,Li24Ti5Cr7O36,-7.1400947137,-2.5436539529,0.015646273,0.015646273,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768407,Li24Ti5Cr7O36,-7.1395595308,-2.54311877,0.0161814559,0.0161814559,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768398,Li24Ti5Cr7O36,-7.1402296281,-2.5437888672,0.0155113586,0.0155113586,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768421,Li24Ti5Cr7O36,-7.1377154476,-2.5412746868,0.0180255391,0.0180255391,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768408,Li24Ti5Cr7O36,-7.1394847442,-2.5430439834,0.0162562425,0.0162562425,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768433,Li24Ti5Cr7O36,-7.1393151233,-2.5428743625,0.0164258634,0.0164258634,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768431,Li24Ti5Cr7O36,-7.1399548217,-2.5435140609,0.015786165,0.015786165,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768532,Li24Ti5Cr7O36,-7.1345697743,-2.5381290135,0.0211712124,0.0211712124,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-768480,Li24Ti5Cr7O36,-7.1399851207,-2.5435443599000003,0.015755866,0.015755866,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-771365,Li24Ti5Cr7O36,-7.1395135918,-2.543072831,0.0162273949,0.0162273949,GGA+U,P1,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti,72.0,A7B24C36D5_aP72_1_7a_24a_36a_5a:Cr-Li-O-Ti +mp-1216859,TiCrSbO6,-8.2784915908,-2.5720834804,0.0091422922,0.0091422922,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Ti,36.0,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Ti +mp-1177857,Li2Ti2Sb2O,-5.9885369414,-1.3008910903,0.0,-0.0171717807,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_e_c:Li-O-Sb-Ti,7.0,A2BC2D2_tI14_139_e_a_e_c:Li-O-Sb-Ti +mp-1217253,Ti10CrSb5,-7.3302743362,-0.5019634715,0.0,-0.0020189444,GGA,I422,AB5C10_tI32_97_a_bj_ck:Cr-Sb-Ti,16.0,AB5C10_tI32_97_a_bj_ck:Cr-Sb-Ti +mp-758653,Li4Ti3Cr3(SbO8)2,-7.8828911821,-2.6083793326,0.0515030388,0.0515030388,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Sb-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Cr-Li-O-Sb-Ti, expected Li4Ti3Cr3(SbO10)2 to be Li4Ti3Cr3(SbO8)2" +mp-677323,Li11TiSb5,-3.5408304071,-0.6267921865,0.0338604913,0.0338604913,GGA,Cm,A11B5C_mC34_8_11a_5a_a:Li-Sb-Ti,17.0,A11B5C_mC34_8_11a_5a_a:Li-Sb-Ti +mp-777936,Li32Ti11Cr5O48,-7.2612863612,-2.7441797008,0.0116481757,0.0116481757,GGA+U,P1,A5B32C48D11_aP96_1_5a_32a_48a_11a:Cr-Li-O-Ti,96.0,A5B32C48D11_aP96_1_5a_32a_48a_11a:Cr-Li-O-Ti +mp-777154,Li32Ti11Cr5O48,-7.2556207672,-2.7385141067000003,0.0173137698,0.0173137698,GGA+U,C2,A5B32C48D11_mC192_5_a2c_ab15c_24c_a2b4c:Cr-Li-O-Ti,96.0,"Invalid WP multiplicities - A5B32C48D11_mC192_5_a4c_ab28c_48c_a2b8c:Cr-Li-O-Ti, expected Li58Ti19Cr9O96 to be Li32Ti11Cr5O48" +mp-861696,Li4Ti4Cr5O18,-8.4078186327,-2.7135188364,0.0973574633,0.0973574633,GGA+U,Pbam,A5B4C18D4_oP62_55_agh_2g_4g5h_gh:Cr-Li-O-Ti,62.0,"Invalid WP multiplicities - A5B4C18D4_oP62_55_2a4g2h_5g_12g20h_3g2h:Cr-Li-O-Ti, expected Li5Ti5Cr7O32 to be Li4Ti4Cr5O18" +mp-779077,Li24TiCr11O36,-6.9919263208,-2.2978435904,0.0195764502,0.0195764502,GGA+U,P1,A11B24C36D_aP72_1_11a_24a_36a_a:Cr-Li-O-Ti,72.0,A11B24C36D_aP72_1_11a_24a_36a_a:Cr-Li-O-Ti +mp-777351,Li24TiCr11O36,-6.9892888258,-2.2952060954,0.0222139452,0.0222139452,GGA+U,C2,A11B24C36D_mC144_5_a2b4c_ab11c_18c_a:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - A11B24C36D_mC144_5_a2b8c_ab22c_36c_a:Cr-Li-O-Ti, expected Li46TiCr19O72 to be Li24TiCr11O36" +mp-780842,Li24TiCr11O36,-6.9886730369,-2.2945903065,0.0228297341,0.0228297341,GGA+U,C2,A11B24C36D_mC144_5_a2b4c_ab11c_18c_a:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - A11B24C36D_mC144_5_a2b8c_ab22c_36c_a:Cr-Li-O-Ti, expected Li46TiCr19O72 to be Li24TiCr11O36" +mp-1178068,Li24TiCr11O36,-6.98984001,-2.2957572796,0.021662761,0.021662761,GGA+U,C2,A11B24C36D_mC144_5_5a6b_3a3b9c_18c_a:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - A11B24C36D_mC144_5_5a6b_3a3b16c_32c_a:Cr-Li-O-Ti, expected Li38TiCr11O64 to be Li24TiCr11O36" +mp-759088,Li9Ti7Cr6O30,-8.0541321671,-2.6932149349000003,0.0932014568,0.0932014568,GGA+U,P3,A6B9C30D7_hP52_143_2ab3c_2a3b4c_10d_3a4b:Cr-Li-O-Ti,52.0,"Invalid WP multiplicities - A6B9C30D7_hP52_143_2ab3c_2a3b4c_29d_3a4b:Cr-Li-O-Ti, expected Li9Ti7Cr6O87 to be Li9Ti7Cr6O30" +mp-1306033,Li3TiCr2O6,-7.7870456575,-2.5696716722,0.0566955628,0.0566955628,GGA+U,P-1,A2B3C6D_aP24_2_2i_ad2i_6i_i:Cr-Li-O-Ti,24.0,"Invalid WP multiplicities - A2B3C6D_aP24_2_2i_ad4i_12i_i:Cr-Li-O-Ti, expected Li5TiCr2O12 to be Li3TiCr2O6" +mp-1312729,Li3TiCr2O6,-7.7807481025,-2.5633741172,0.0629931178,0.0629931178,GGA+U,P2_1/m,A2B3C6D_mP24_11_2e_3e_6e_e:Cr-Li-O-Ti,24.0,A2B3C6D_mC24_12_i_ai_3i_d:Cr-Li-O-Ti +mp-755147,Li3TiCr2O6,-7.7862039867,-2.5688300013000003,0.0575372337,0.0575372337,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Cr-Li-O-Ti,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Cr-Li-O-Ti, expected Li3TiCr2O10 to be Li3TiCr2O6" +mp-776968,Li32Ti3Cr13O48,-7.037737498,-2.3741678831,0.0188397154,0.0188397154,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-776969,Li32Ti3Cr13O48,-7.0381225177,-2.3745529028,0.0184546957,0.0184546957,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777044,Li32Ti3Cr13O48,-7.0378284026,-2.3742587877,0.0187488108,0.0187488108,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777345,Li32Ti3Cr13O48,-7.0378660996,-2.3742964847,0.0187111138,0.0187111138,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777482,Li32Ti3Cr13O48,-7.037606321,-2.3740367061,0.0189708924,0.0189708924,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777558,Li32Ti3Cr13O48,-7.0382419721,-2.3746723572,0.0183352413,0.0183352413,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777397,Li32Ti3Cr13O48,-7.0372352837,-2.3736656688,0.0193419297,0.0193419297,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-777593,Li32Ti3Cr13O48,-7.037279144,-2.373709529,0.0192980695,0.0192980695,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-778621,Li32Ti3Cr13O48,-7.0378131892,-2.3742435742,0.0187640242,0.0187640242,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-1177743,Li32Ti3Cr13O48,-7.0377915372,-2.3742219223,0.0187856762,0.0187856762,GGA+U,P1,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti,96.0,A13B32C48D3_aP96_1_13a_32a_48a_3a:Cr-Li-O-Ti +mp-780807,Li2TiCr3O8,-8.2337674982,-2.5019110804,0.08293581,0.08293581,GGA+U,P-1,A3B2C8D_aP14_2_acd_bf_4i_e:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP14_2_2a2c2d_bf_4i_e:Cr-Li-O-Ti, expected Li2TiCr6O8 to be Li2TiCr3O8" +mp-1391871,Li2TiCr3O8,-4.2509962271,1.4808601907,4.0657070811,4.0657070811,GGA+U,P-1,A3B2C8D_aP14_2_acd_bg_4i_e:Cr-Li-O-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_aP14_2_acd_bg_7i_e:Cr-Li-O-Ti, expected Li2TiCr3O14 to be Li2TiCr3O8" +mp-1307652,Li2TiCr3O8,-8.23870016,-2.5068437421,0.0780031482,0.0780031482,GGA+U,P2_1/m,A3B2C8D_mP28_11_ade_bc_4e2f_e:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_a2f_e_2ij_b:Cr-Li-O-Ti, expected Li2TiCr5O8 to be Li2TiCr3O8" +mp-1177851,Li2TiCr3O8,-8.2387561329,-2.5068997150000003,0.0779471753,0.0779471753,GGA+U,C2/m,A3B2C8D_mC28_12_ae_f_2ij_b:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2a2f_e_2ij_b:Cr-Li-O-Ti, expected Li2TiCr6O8 to be Li2TiCr3O8" +mp-754695,Li2TiCr3O8,-8.2193398164,-2.4874833986,0.0973634918,0.0973634918,GGA+U,C2/m,A3B2C8D_mC28_12_ae_cd_2ij_b:Cr-Li-O-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_ce_ab_3i2j_d:Cr-Li-O-Ti, expected Li2TiCr3O14 to be Li2TiCr3O8" +mp-1275461,Li2TiCr3O8,-8.3012819214,-2.5694255036,0.0154213868,0.0154213868,GGA+U,C2/m,A3B2C8D_mC28_12_ae_i_2ij_c:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP14_2_2b2c2e_i_6i_a:Cr-Li-O-Ti, expected Li2TiCr6O12 to be Li2TiCr3O8" +mp-1291363,Li2TiCr3O8,-8.3011186314,-2.5692622136,0.0155846768,0.0155846768,GGA+U,C2/c,A3B2C8D_mC56_15_abc_f_4f_e:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_mC56_15_2a2cd_f_10f_e:Cr-Li-O-Ti, expected Li2TiCr5O20 to be Li2TiCr3O8" +mp-1318887,Li2TiCr3O8,-8.2998781289,-2.5680217111,0.0168251793,0.0168251793,GGA+U,C2/c,A3B2C8D_mC56_15_abe_f_4f_c:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_mC56_15_cde_f_9f_a:Cr-Li-O-Ti, expected Li2TiCr3O18 to be Li2TiCr3O8" +mp-1178000,Li2TiCr3O8,-8.3000237307,-2.5681673129,0.0166795775,0.0166795775,GGA+U,C222_1,A3B2C8D_oC112_20_ab2c_2c_8c_ab:Cr-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B2C8D_oC112_20_2a2b8c_4c_28c_2a2b:Cr-Li-O-Ti, expected Li2TiCr5O14 to be Li2TiCr3O8" +mp-1177849,Li2TiCr3O8,-8.2922217593,-2.5603653414,0.0244815489,0.0244815489,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Cr-Li-O-Ti, expected Li2TiCr3O10 to be Li2TiCr3O8" +mp-772612,Li2TiCr3O8,-8.27492689,-2.5430704721,0.0417764182,0.0417764182,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Cr-Li-O-Ti, expected Li3TiCr3O30 to be Li2TiCr3O8" +mp-867983,Li2TiCr3O8,-8.2888872111,-2.5570307932,0.0278160971,0.0278160971,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Cr-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Cr-Li-O-Ti, expected Li2TiCr3O70 to be Li2TiCr3O8" +mp-1222347,LiTiCrO4,-8.4692462743,-2.8629295317,0.0242141618,0.0148548614,GGA+U,Pmc2_1,ABC4D_oP14_26_b_a_2a2b_a:Cr-Li-O-Ti,28.0,ABC4D_oP14_26_b_a_2a2b_a:Cr-Li-O-Ti +mp-756275,LiTiCrO4,-8.4934604361,-2.8871436935,0.0,-0.0093593004,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Ti,28.0,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Ti +mp-774449,Li2Ti3SbO8,-7.9847345457,-2.898532209,0.0894174767,0.0894174767,GGA,P6_3mc,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Sb-Ti,28.0,"Invalid WP multiplicities - A2B8CD3_hP28_186_a2b_a2b9c_b_c:Li-O-Sb-Ti, expected Li3Ti3SbO30 to be Li2Ti3SbO8" +mp-756972,Li3Ti2CrO6,-7.8331790992,-2.7622680683,0.0799470708,0.0799470708,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Cr-Li-O-Ti,48.0,AB3C6D2_mC24_12_a_di_3i_i:Cr-Li-O-Ti +mp-759597,Li4TiCr5O12,-8.0531559011,-2.455124748,0.0658716369,0.0658716369,GGA+U,P-1,A5B4C12D_aP66_2_b7i_6i_18i_di:Cr-Li-O-Ti,66.0,"Invalid WP multiplicities - A5B4C12D_aP66_2_b13i_10i_35i_d2i:Cr-Li-O-Ti, expected Li20Ti5Cr27O70 to be Li4TiCr5O12" +mp-771327,Li4TiCr5O12,-8.0277186077,-2.4296874546,0.0913089302,0.0913089302,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Cr-Li-O-Ti,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Cr-Li-O-Ti, expected Li4TiCr7O28 to be Li4TiCr5O12" +mp-779361,Li24Ti11CrO36,-7.36909232,-2.9191145136000003,0.0030059902,0.0030059902,GGA+U,P1,AB24C36D11_aP72_1_a_24a_36a_11a:Cr-Li-O-Ti,72.0,AB24C36D11_aP72_1_a_24a_36a_11a:Cr-Li-O-Ti +mp-779092,Li24Ti11CrO36,-7.3689735046,-2.9189956982,0.0031248057,0.0031248057,GGA+U,C2,AB24C36D11_mC144_5_a_ab11c_18c_a2b4c:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - AB24C36D11_mC144_5_a_ab22c_36c_a2b8c:Cr-Li-O-Ti, expected Li46Ti19CrO72 to be Li24Ti11CrO36" +mp-779227,Li24Ti11CrO36,-7.3688487628,-2.9188709564,0.0032495475,0.0032495475,GGA+U,C2,AB24C36D11_mC144_5_a_ab11c_18c_a2b4c:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - AB24C36D11_mC144_5_a_ab21c_36c_a2b8c:Cr-Li-O-Ti, expected Li44Ti19CrO72 to be Li24Ti11CrO36" +mp-779775,Li24Ti11CrO36,-7.3685699003,-2.9185920939,0.00352841,0.00352841,GGA+U,C2,AB24C36D11_mC144_5_a_3a3b9c_18c_5a6b:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - AB24C36D11_mC144_5_a_3a3b16c_32c_5a6b:Cr-Li-O-Ti, expected Li38Ti11CrO64 to be Li24Ti11CrO36" +mp-778889,Li24Ti11CrO36,-7.3689704213,-2.9189926149,0.003127889,0.003127889,GGA+U,C2,AB24C36D11_mC144_5_a_ab11c_18c_a2b4c:Cr-Li-O-Ti,72.0,"Invalid WP multiplicities - AB24C36D11_mC144_5_a_ab22c_36c_a2b8c:Cr-Li-O-Ti, expected Li46Ti19CrO72 to be Li24Ti11CrO36" +mp-776967,Li32Ti13Cr3O48,-7.3198343133,-2.8393433915,0.0071895545,0.0071895545,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-777110,Li32Ti13Cr3O48,-7.3201434266,-2.8396525047,0.0068804413,0.0068804413,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-777374,Li32Ti13Cr3O48,-7.3200324252,-2.8395415033,0.0069914426,0.0069914426,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-777376,Li32Ti13Cr3O48,-7.3196754175,-2.8391844956,0.0073484503,0.0073484503,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-1177737,Li32Ti13Cr3O48,-7.3198633058,-2.839372384,0.007160562,0.007160562,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-1177811,Li32Ti13Cr3O48,-7.3202463717,-2.8397554498,0.0067774962,0.0067774962,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-1177824,Li32Ti13Cr3O48,-7.320467215,-2.8399762931,0.0065566528,0.0065566528,GGA+U,P1,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti,96.0,A3B32C48D13_aP96_1_3a_32a_48a_13a:Cr-Li-O-Ti +mp-774674,Li6Ti7Cr5O24,-8.5112303767,-2.9467601925,0.000453229,0.000453229,GGA+U,P-1,A5B6C24D7_aP42_2_abci_3i_12i_f3i:Cr-Li-O-Ti,42.0,"Invalid WP multiplicities - A5B6C24D7_aP42_2_abc2i_4i_23i_f6i:Cr-Li-O-Ti, expected Li8Ti13Cr7O46 to be Li6Ti7Cr5O24" +mp-768386,Li4TiCrO6,-7.1777474521,-2.6057171837,0.0140530885,0.0140530885,GGA+U,P1,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti,48.0,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti +mp-768438,Li4TiCrO6,-7.1762650094,-2.604234741,0.0155355312,0.0155355312,GGA+U,P1,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti,48.0,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti +mp-768387,Li4TiCrO6,-7.1785709623,-2.6065406939,0.0132295783,0.0132295783,GGA+U,P1,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti,48.0,AB4C6D_aP48_1_4a_16a_24a_4a:Cr-Li-O-Ti +mp-753412,Li4TiCrO6,-7.17392767,-2.6018974016,0.0178728706,0.0178728706,GGA+U,C2/c,AB4C6D_mC48_15_e_cef_3f_e:Cr-Li-O-Ti,48.0,AB4C6D_mC48_15_e_aef_3f_e:Cr-Li-O-Ti +mp-768403,Li4TiCrO6,-7.1727725721,-2.6007423037,0.0190279685,0.0190279685,GGA+U,C2,AB4C6D_mC96_5_abc_ab7c_12c_abc:Cr-Li-O-Ti,48.0,"Invalid WP multiplicities - AB4C6D_mC96_5_abc_ab14c_22c_abc:Cr-Li-O-Ti, expected Li15Ti2Cr2O22 to be Li4TiCrO6" +mp-754105,Li4TiCrO6,-7.1702191575,-2.5981888891,0.0215813831,0.0215813831,GGA+U,C2,AB4C6D_mC24_5_a_a3b_3c_a:Cr-Li-O-Ti,12.0,AB4C6D_mC24_5_a_a3b_3c_a:Cr-Li-O-Ti +mp-1653381,Li4TiCrO6,-7.1759780304,-2.603947762,0.0158225102,0.0158225102,GGA+U,P2_1/c,AB4C6D_mP48_14_e_ad3e_6e_e:Cr-Li-O-Ti,48.0,"Invalid WP multiplicities - AB4C6D_mP48_14_e_2ad8e_17e_e:Cr-Li-O-Ti, expected Li19Ti2Cr2O34 to be Li4TiCrO6" +mp-768404,Li4TiCrO6,-7.1740663656,-2.6020360972,0.017734175,0.017734175,GGA+U,C2/c,AB4C6D_mC96_15_f_c3e2f_6f_f:Cr-Li-O-Ti,48.0,"Invalid WP multiplicities - AB4C6D_aP48_2_3i_bc13i_23i_3i:Cr-Li-O-Ti, expected Li14Ti3Cr3O23 to be Li4TiCrO6" +mp-754193,Li3TiCr3O8,-8.070439764,-2.5934455829000003,0.0388257408,0.0388257408,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Cr-Li-O-Ti,30.0,A3B3C8D_hR45_166_e_d_ch_a:Cr-Li-O-Ti +mp-757225,Li3TiCr3O8,-8.063579463,-2.5865852819,0.0456860418,0.0456860418,GGA+U,C2/m,A3B3C8D_mC30_12_ae_cf_2ij_b:Cr-Li-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_2b2f_ce_2ij_a:Cr-Li-O-Ti, expected Li3TiCr6O8 to be Li3TiCr3O8" +mp-765747,Li4TiCr3O8,-7.7710157256,-2.5170260017,0.0550639246,0.0550639246,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Cr-Li-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2ch_b:Cr-Li-O-Ti, expected Li4TiCr3O10 to be Li4TiCr3O8" +mp-777464,Li4Ti5Cr3O16,-8.4946180425,-2.9510711375,0.0261771479,0.0261771479,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Cr-Li-O-Ti, expected Li4Ti7Cr3O20 to be Li4Ti5Cr3O16" +mp-756669,Li4Ti3CrO8,-7.8269128344,-2.7926175421,0.1022982423,0.1022982423,GGA+U,R-3m,AB4C8D3_hR48_166_a_bd_ch_e:Cr-Li-O-Ti,16.0,"Invalid WP multiplicities - AB4C8D3_hR48_166_a_bd_2c2h_e:Cr-Li-O-Ti, expected Li4Ti3CrO16 to be Li4Ti3CrO8" +mp-776079,Ti2Cr3Sb3O16,-8.0310506146,-2.3525443836,0.1135238293,0.1135238293,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Cr-O-Sb-Ti,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Cr-O-Sb-Ti, expected Ti2Cr3Sb3O20 to be Ti2Cr3Sb3O16" +mp-771120,Li4Ti3Cr5O16,-8.3700382868,-2.7009517065,0.0350435853,0.0350435853,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Cr-Li-O-Ti, expected Li4Ti3Cr5O20 to be Li4Ti3Cr5O16" +mp-757086,Li2TiCr2O6,-8.1491994518,-2.631057183,0.0823098948,0.0823098948,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-Ti,22.0,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-Ti +mp-1302453,Li2TiCrO4,-7.8046443466,-2.6605018384,0.074420014,0.074420014,GGA+U,C2,AB2C4D_mC64_5_2c_4c_8c_2c:Cr-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_5_2c_8c_14c_4c:Cr-Li-O-Ti, expected Li4Ti2CrO7 to be Li2TiCrO4" +mp-1285671,Li2TiCrO4,-7.7990699425,-2.6549274344,0.079994418,0.079994418,GGA+U,Cm,AB2C4D_mC32_8_2a_4a_8a_2a:Cr-Li-O-Ti,32.0,AB2C4D_mC32_8_3a_6a_12a_3a:Cr-Li-O-Ti +mp-1276032,Li2TiCrO4,-7.7959905,-2.6518479919,0.0830738605,0.0830738605,GGA+U,Cm,AB2C4D_mC32_8_2a_2ab_4a2b_b:Cr-Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C4D_aP16_2_2b_2i_8i_2c:Cr-Li-O-Ti, expected Li2TiCrO8 to be Li2TiCrO4" +mp-1284253,Li2TiCrO4,-7.7983576566,-2.6542151484,0.080706704,0.080706704,GGA+U,Cm,AB2C4D_mC64_8_4a_8a_16a_4a:Cr-Li-O-Ti,32.0,AB2C4D_mC64_8_4a_8a_16a_4a:Cr-Li-O-Ti +mp-752969,Li2TiCrO4,-7.7966244425,-2.6524819344,0.082439918,0.082439918,GGA+U,P2/m,AB2C4D_mP8_10_b_ch_mn_d:Cr-Li-O-Ti,8.0,"Invalid WP multiplicities - AB2C4D_mP8_10_b_ce_2m2n_g:Cr-Li-O-Ti, expected Li2TiCrO8 to be Li2TiCrO4" +mp-1273630,Li2TiCrO4,-7.798039565,-2.6538970569,0.0810247955,0.0810247955,GGA+U,C2/m,AB2C4D_mC64_12_abg_fij_2i3j_2h:Cr-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_12_ab2g_2e2ij_4i9j_3h:Cr-Li-O-Ti, expected Li6Ti3Cr3O22 to be Li2TiCrO4" +mp-1280664,Li2TiCrO4,-7.7998452538,-2.6557027456,0.0792191068,0.0792191068,GGA+U,C2/m,AB2C4D_mC64_12_ef_adij_4i2j_bci:Cr-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_12_ef_acij_7i5j_bdi:Cr-Li-O-Ti, expected Li4Ti2Cr2O17 to be Li2TiCrO4" +mp-1272966,Li2TiCrO4,-7.7985291106,-2.6543866025,0.0805352499,0.0805352499,GGA+U,C222,AB2C4D_oC32_21_ac_bdk_efl_k:Cr-Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C4D_oC32_21_ac_bdk_2efl_k:Cr-Li-O-Ti, expected Li2TiCrO5 to be Li2TiCrO4" +mp-755743,Li2TiCrO4,-7.7991875437,-2.6550450356,0.0798768168,0.0798768168,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Cr-Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_3h4i_d:Cr-Li-O-Ti, expected Li4TiCrO14 to be Li2TiCrO4" +mp-1177868,Li2TiCrO4,-7.7987034297,-2.6545609216,0.0803609308,0.0803609308,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Cr-Li-O-Ti,32.0,AB2C4D_tI16_119_a_bc_ef_d:Cr-Li-O-Ti +mp-1276652,Li2TiCrO4,-7.7990810322,-2.6549385241,0.0799833283,0.0799833283,GGA+U,I-42d,AB2C4D_tI64_122_ab_cd_2ce_d:Cr-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_tI64_122_ab_cd_6ce_d:Cr-Li-O-Ti, expected Li2TiCrO8 to be Li2TiCrO4" +mp-1368365,CaBiF5,-5.5362983504,-3.3358006579,0.0694930111,0.0694930111,GGA,P2_1/c,ABC5_mP28_14_e_e_5e:Bi-Ca-F,28.0,ABC5_mP28_14_e_e_5e:Bi-Ca-F +mp-1407843,CaBiF5,-5.539044275,-3.3385465825,0.0667470864,0.0667470864,GGA,C2/c,ABC5_mC28_15_a_e_e2f:Bi-Ca-F,14.0,"Invalid WP multiplicities - ABC5_mC28_15_c_e_e3f:Bi-Ca-F, expected CaBiF7 to be CaBiF5" +mp-1044511,BaCaCuF7,-5.3397765727,-3.1993631465,0.0,-0.0080839261,GGA,P2_1/c,ABCD7_mP40_14_e_e_e_7e:Ba-Ca-Cu-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_14_e_e_e_23e:Ba-Ca-Cu-F, expected BaCaCuF23 to be BaCaCuF7" +mp-1387328,CaBiF6,-5.24278937,-3.0784190181,0.0050501594,0.0050501594,GGA,R-3,ABC6_hR24_148_a_b_f:Bi-Ca-F,8.0,ABC6_hR24_148_a_b_f:Bi-Ca-F +mp-676105,Ba8Bi2F17,-5.4286044748,-3.3720148368,0.4704949095,0.4704949095,GGA,R3m,A8B2C17_hR81_160_8a_2a_17a:Ba-Bi-F,27.0,A8B2C17_hR81_160_8a_2a_17a:Ba-Bi-F +mp-1044589,Ba2Bi2F11,-5.304666448,-3.1349866625,0.1017705623,0.1017705623,GGA,P3_2,A2B2C11_hP45_145_2a_2a_11a:Ba-Bi-F,45.0,"Invalid WP multiplicities - A2B2C11_hP45_145_5a_5a_31a:Ba-Bi-F, expected Ba5Bi5F31 to be Ba2Bi2F11" +mp-1045459,Ba2CaCu3F14,-5.1379765315,-2.8928827658,0.0,-0.0636965535,GGA,C2/c,A2BC3D14_mC80_15_f_e_af_7f:Ba-Ca-Cu-F,40.0,"Invalid WP multiplicities - A2BC3D14_mC80_15_f_e_cf_24f:Ba-Ca-Cu-F, expected Ba2CaCu3F48 to be Ba2CaCu3F14" +mp-1786455,CaCuF5,-5.0061326021,-2.7686752611000003,0.0,-0.0031755536,GGA,P-1,ABC5_aP14_2_i_ab_5i:Ca-Cu-F,14.0,"Invalid WP multiplicities - ABC5_mC28_15_e_a_e3f:Ca-Cu-F, expected CaCuF7 to be CaCuF5" +mp-1337320,CaCuF5,-5.0004255004,-2.7629681593,0.0057071018,0.0025315482,GGA,P2_1/c,ABC5_mP28_14_e_e_5e:Ca-Cu-F,28.0,ABC5_mP28_14_e_e_5e:Ca-Cu-F +mp-1442904,CaCuF5,-4.9952893493,-2.7578320082000003,0.0108432529,0.0076676993,GGA,C2/c,ABC5_mC28_15_e_a_e2f:Ca-Cu-F,14.0,"Invalid WP multiplicities - ABC5_mC28_15_e_c_e3f:Ca-Cu-F, expected CaCuF7 to be CaCuF5" +mp-22941,CaCuBi,-3.79287633,-0.47777777,0.0535448103,0.0535448103,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Bi-Ca-Cu,6.0,ABC_hP6_194_c_a_d:Bi-Ca-Cu +mp-12266,CaCuF4,-5.3337887842,-3.0420017142,0.0,-0.0233912858,GGA,I4/mcm,ABC4_tI24_140_a_d_l:Ca-Cu-F,12.0,ABC4_tI24_140_a_d_l:Ca-Cu-F +mp-1045638,Ba2CaCuBi2F14,-5.4760601458,-3.256838134,0.041795412,0.041795412,GGA,C2/c,A2B2CDE14_mC80_15_f_f_e_a_7f:Ba-Bi-Ca-Cu-F,40.0,"Invalid WP multiplicities - A2B2CDE14_mC80_15_f_f_e_c_24f:Ba-Bi-Ca-Cu-F, expected Ba2CaCuBi2F48 to be Ba2CaCuBi2F14" +mp-675179,Ba3Bi2F12,-5.6237776841,-3.4840335259,0.0658913778,0.0658913778,GGA,P1,A3B2C12_aP17_1_3a_2a_12a:Ba-Bi-F,17.0,A3B2C12_aP17_1_3a_2a_12a:Ba-Bi-F +mp-38357,Ba4Bi3F17,-5.6654007696,-3.511546203,0.0,-0.0340275958,GGA,P1,A4B3C17_aP48_1_8a_6a_34a:Ba-Bi-F,48.0,A4B3C17_aP48_1_8a_6a_34a:Ba-Bi-F +mp-31145,BaCuBi,-3.83935694,-0.55313336,0.0410707087,0.0410707087,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Bi-Cu,6.0,ABC_hP6_194_a_c_d:Ba-Bi-Cu +mp-1041345,BaCaBiF7,-5.7087643245,-3.5942226522,0.059094708,0.059094708,GGA,P2_1/c,ABCD7_mP40_14_e_e_e_7e:Ba-Bi-Ca-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_14_e_e_e_23e:Ba-Bi-Ca-F, expected BaCaBiF23 to be BaCaBiF7" +mp-1404968,CaCu2F8,-4.6854543255,-2.3676502382,0.0,-0.1113278643,GGA,I422,AB2C8_tI22_97_a_d_k:Ca-Cu-F,11.0,AB2C8_tI22_97_a_d_k:Ca-Cu-F +mp-29333,Rb2PuCl5,-5.5707001356,-2.3867514137,0.0,-0.069324465,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Cl-Pu-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Cl-Pu-Rb +mp-1235022,Rb12Li(ClO)4,-3.304050499,-1.3585155837,0.2273273562,0.2273273562,GGA,P1,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Li-O-Rb,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Li-O-Rb +mp-1235840,Rb12Li(ClO)4,-3.3197455138,-1.3742105985,0.2116323415,0.2116323415,GGA,P1,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Li-O-Rb,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Li-O-Rb +mp-1235279,Rb12Li(ClO)4,-3.3301693548,-1.3846344394,0.2012085005,0.2012085005,GGA,Pm,A4BC4D12_mP21_6_2a2b_a_2c_2a2b4c:Cl-Li-O-Rb,21.0,A4BC4D12_mP21_6_2a2b_a_2c_2a2b4c:Cl-Li-O-Rb +mp-1235316,Rb2LiPu(Cl2O)2,-6.034968394,-2.4924330536,0.041787656,0.041787656,GGA,P1,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb +mp-1235412,Rb2LiPu(Cl2O)2,-5.996599003,-2.4540636626,0.080157047,0.080157047,GGA,P1,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb +mp-1235786,Rb2LiPu(Cl2O)2,-6.040171734,-2.4976363936,0.036584316,0.036584316,GGA,P1,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_aP10_1_4a_a_2a_a_2a:Cl-Li-O-Pu-Rb +mp-1232995,Rb2LiPu(Cl2O)2,-6.026822173,-2.4842868326,0.049933877,0.049933877,GGA,Cm,A4BC2DE2_mC20_8_2b_a_2a_a_2a:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_mC20_8_2b_a_2a_a_2a:Cl-Li-O-Pu-Rb +mp-1235035,Rb2LiPu(Cl2O)2,-6.036176642,-2.4936413016,0.040579408,0.040579408,GGA,C2/m,A4BC2DE2_mC20_12_j_a_i_c_i:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_mC20_12_j_a_i_c_i:Cl-Li-O-Pu-Rb +mp-1235490,Rb2LiPu(Cl2O)2,-5.975649524,-2.4331141836,0.101106526,0.101106526,GGA,C2/m,A4BC2DE2_mC20_12_j_a_i_d_i:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_mC20_12_j_a_i_c_i:Cl-Li-O-Pu-Rb +mp-1236120,Rb2LiPu(Cl2O)2,-5.977887091,-2.4353517506,0.098868959,0.098868959,GGA,C2/m,A4BC2DE2_mC20_12_j_a_i_b_i:Cl-Li-O-Pu-Rb,10.0,A4BC2DE2_mC20_12_j_a_i_b_i:Cl-Li-O-Pu-Rb +mp-1095062,Rb2Pu(Cl2O)2,-6.1913130644,-2.4672652269,0.0,-0.1557501681,GGA,C2/m,A4B2CD2_mC18_12_j_i_a_i:Cl-O-Pu-Rb,9.0,A4B2CD2_mC18_12_j_i_a_i:Cl-O-Pu-Rb +mp-29336,Rb2PuCl6,-5.3283573006000005,-2.2927876967,0.0,-0.1712308844,GGA,P6_3mc,A6BC2_hP18_186_2c_b_ab:Cl-Pu-Rb,18.0,A6BC2_hP18_186_2c_b_ab:Cl-Pu-Rb +mp-6704,BaNd2CuO5,-7.4422940778,-2.9658585187,0.0210255347,0.0210255347,GGA,P4/mbm,ABC2D5_tP18_127_b_c_g_ak:Ba-Cu-Nd-O,18.0,ABC2D5_tP18_127_b_c_g_ak:Ba-Cu-Nd-O +mp-560766,Ba4Nd2Cu2O9,-6.8299521712,-2.7163753261,0.0103352951,0.0103352951,GGA,P-4n2,A4B2C2D9_tP34_118_i_f_f_afgi:Ba-Cu-Nd-O,34.0,"Invalid WP multiplicities - A4B2C2D9_tP34_118_i_f_f_2a4f3g4i:Ba-Cu-Nd-O, expected Ba2NdCuO16 to be Ba4Nd2Cu2O9" +mp-6562,Ba2CuHgO4,-5.4578516225,-1.9544026525,0.0234340381,0.0234340381,GGA,P4/mmm,A2BCD4_tP8_123_h_b_a_eg:Ba-Cu-Hg-O,8.0,A2BCD4_tP8_123_h_b_a_eg:Ba-Cu-Hg-O +mp-22719,Ba2NdCu3O7,-6.4278753131,-2.1562954437,0.0180149053,0.0180149053,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Nd-O,13.0,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Nd-O +mp-1147526,BaCu2(HgO2)2,-4.6277604633,-1.2375933683,0.054186075,0.054186075,GGA,P4/nbm,AB2C2D4_tP18_125_a_f_h_m:Ba-Cu-Hg-O,18.0,AB2C2D4_tP18_125_a_f_h_m:Ba-Cu-Hg-O +mp-1228592,Ba4Nd5Cu9O22,-6.6531743162,-2.2222581012,0.0662774527,0.0662774527,GGA,P2/m,A4B9C5D22_mP40_10_2m_b4n_c2m_ae4m6n:Ba-Cu-Nd-O,40.0,"Invalid WP multiplicities - A4B9C5D22_mP40_10_3m_b8n_c3m_ah8m12n:Ba-Cu-Nd-O, expected Ba6Nd7Cu17O42 to be Ba4Nd5Cu9O22" +mp-1228353,Ba3Nd3(Cu3O7)2,-6.614839955,-2.2336765283,0.0371612161,0.0371612161,GGA,Fmm2,A3B6C3D14_oF104_42_3a_3b_3a_2b2c3d:Ba-Cu-Nd-O,26.0,A3B6C3D14_oF104_42_3a_3b_3a_2b2c3d:Ba-Cu-Nd-O +mp-614981,Ba2Nd(CuO2)3,-6.427165845,-2.2118450458,0.0,-0.010532877,GGA,P4/mmm,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-Nd-O,12.0,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-Nd-O +mp-1228333,Ba6Cu3Hg3O13,-5.4485640968,-1.8873855372,0.0696063429,0.0696063429,GGA,C2/m,A6B3C3D13_mC50_12_3i_ci_bi_af3ij:Ba-Cu-Hg-O,25.0,"Invalid WP multiplicities - A6B3C3D13_mC50_12_5i_ci_bi_a2f6i2j:Ba-Cu-Hg-O, expected Ba10Cu3Hg3O25 to be Ba6Cu3Hg3O13" +mp-1397195,Ba2Cu2HgO6,-5.3380658909,-1.5180499043,0.1889952331,0.1889952331,GGA,P4/mmm,A2B2CD6_tP11_123_h_g_a_gi:Ba-Cu-Hg-O,11.0,A2B2CD6_tP11_123_h_g_a_gi:Ba-Cu-Hg-O +mp-1214587,Ba2NdCu2HgO7,-6.0424293715,-2.0628130641,0.0993035318,0.0993035318,GGA,P4/mmm,A2B2CDE7_tP13_123_g_h_c_b_ahi:Ba-Cu-Hg-Nd-O,13.0,A2B2CDE7_tP13_123_g_h_c_b_ahi:Ba-Cu-Hg-Nd-O +mp-1229200,Ba10Cu5Hg5O21,-5.4622637344000005,-1.9236137951,0.0428575288,0.0428575288,GGA,P-1,A10B5C5D21_aP41_2_5i_c2i_b2i_aeh9i:Ba-Cu-Hg-O,41.0,"Invalid WP multiplicities - A10B5C5D21_aP41_2_9i_c2i_b4i_aeh18i:Ba-Cu-Hg-O, expected Ba18Cu5(Hg3O13)3 to be Ba10Cu5Hg5O21" +mp-11691,Nd2HgO4,-7.1677526579,-2.9353626471,0.0,-0.05122943,GGA,C2/m,AB2C4_mC28_12_i_2i_4i:Hg-Nd-O,14.0,AB2C4_mC28_12_i_2i_4i:Hg-Nd-O +mp-1228184,Ba4Nd2Cu6O13,-6.4270460244,-2.1824705088,0.0098564948,0.0098564948,GGA,Fmmm,A4B6C2D13_oF100_69_m_gn_c_a2ijn:Ba-Cu-Nd-O,25.0,"Invalid WP multiplicities - A4B6C2D13_oF100_69_m_gn_c_a4i2jn:Ba-Cu-Nd-O, expected Ba4Nd2(Cu2O7)3 to be Ba4Nd2Cu6O13" +mp-1228271,Ba8Cu4Hg4O17,-5.4601988945,-1.9130153869,0.0507006965,0.0507006965,GGA,C2/m,A8B4C4D17_mC66_12_4i_eg_j_abci3j:Ba-Cu-Hg-O,33.0,"Invalid WP multiplicities - A8B4C4D17_mC66_12_8i_fg_j_abci5j:Ba-Cu-Hg-O, expected Ba16Cu4Hg4O25 to be Ba8Cu4Hg4O17" +mp-1520930,Eu2ZrCrO6,-10.01257145,-3.1730830533,0.051844231,0.051844231,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Zr,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Zr +mp-1521677,SmEuZrCrO6,-9.49339195,-3.2077451197,0.201760691,0.201760691,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sm-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sm-Zr +mp-1023278,BaMg6Al,-1.8059656531,0.1023132306,0.1888477114,0.1888477114,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Ba-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Ba-Mg, expected BaMg12Al to be BaMg6Al" +mp-1023362,BaMg6Al,-1.8460192775,0.0622596063,0.1487940871,0.1487940871,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Ba-Mg,8.0,ABC6_oC16_38_a_a_2bde:Al-Ba-Mg +mp-640340,Ca4MgAl3,-2.8226191759,-0.2151932934,0.0,-0.0003245005,GGA,Pbcm,A3B4C_oP32_57_c2d_4d_a:Al-Ca-Mg,32.0,"Invalid WP multiplicities - A3B4C_oP32_57_2c3d_14d_a:Al-Ca-Mg, expected Ca14MgAl5 to be Ca4MgAl3" +mp-1028112,BaCaMg14,-1.5745032,0.07102777,0.1299332844,0.1299332844,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Ca-Mg, expected BaCaMg18 to be BaCaMg14" +mp-1028108,BaCaMg14,-1.5887533131,0.0567776569,0.1156831713,0.1156831713,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Ca-Mg, expected BaCaMg26 to be BaCaMg14" +mp-1095925,BaCaMg2,-0.383596395,1.397687335,1.4772889063,1.4772889063,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Mg,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Mg +mp-1023159,BaCaMg6,-1.6054956,0.08528629,0.1707343438,0.1707343438,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Ca-Mg, expected BaCaMg12 to be BaCaMg6" +mp-1023179,BaCaMg6,-1.6075981756000002,0.0831837144,0.1686317682,0.1686317682,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Ca-Mg, expected BaCaMg12 to be BaCaMg6" +mp-18065,BaCaAlF7,-6.208068279,-4.1030179368,0.0,-0.0037036297,GGA,P2/c,ABCD7_mP40_13_g_g_ef_7g:Al-Ba-Ca-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_13_g_g_2e2f_7g:Al-Ba-Ca-F, expected BaCa2AlF7 to be BaCaAlF7" +mp-540862,Ba2CaMgAl2F14,-6.1297242188,-4.044939868,0.0,-0.0030038701,GGA,C2/c,A2B2CD14E_mC80_15_f_f_e_7f_a:Al-Ba-Ca-F-Mg,40.0,A2B2CD14E_mC80_15_f_f_e_7f_c:Al-Ba-Ca-F-Mg +mp-1028264,BaMg14Al,-1.6926333394,0.0616461275,0.1180540471,0.1180540471,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Ba-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Ba-Mg, expected BaMg18Al to be BaMg14Al" +mp-1028249,BaMg14Al,-1.6744461844,0.0798332825,0.1362412021,0.1362412021,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Ba-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Ba-Mg, expected BaMg26Al to be BaMg14Al" +mp-1023479,CaMg6Al,-1.9075018694,0.0116051319,0.1094989144,0.1094989144,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Ca-Mg, expected CaMg12Al to be CaMg6Al" +mp-1023487,CaMg6Al,-1.91079375,0.0083132512,0.1062070338,0.1062070338,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Ca-Mg, expected CaMg12Al to be CaMg6Al" +mp-1093696,Ca2MgAl,-0.8246139875,1.5146499225,1.6871992915,1.6871992915,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ca-Mg,4.0,AB2C_oI8_71_a_e_b:Al-Ca-Mg +mp-1028211,CaMg14Al,-1.7597756488,-8.21231e-05,0.0613490189,0.0613490189,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Ca-Mg, expected CaMg18Al to be CaMg14Al" +mp-1028190,CaMg14Al,-1.7482158356,0.01147769,0.072908832,0.072908832,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Ca-Mg, expected CaMg26Al to be CaMg14Al" +mp-13026,YbZnPt,-3.882763885,-0.9259354817,0.0,-0.1639471867,GGA,Pnma,ABC_oP12_62_c_c_c:Pt-Yb-Zn,,ABC_oP12_62_c_c_c:Pt-Yb-Zn +mp-1187797,YbZnO3,-5.47792792,-1.9500443152,0.2187094462,0.2187094462,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Yb-Zn,,A3BC_cP5_221_c_a_b:O-Yb-Zn +mp-680165,Ba17Yb16Zn8Pt4O57,-6.25487751,-2.5923280476,0.0018984117,0.0018984117,GGA,I4/m,A17B57C4D16E8_tI204_87_a4h_b4h5i_h_4h_2h:Ba-O-Pt-Yb-Zn,,"Invalid WP multiplicities - A17B57C4D16E8_tI204_87_a12h_b14h38i_h_13h_5h:Ba-O-Pt-Yb-Zn, expected Ba49Yb52Zn20Pt4O361 to be Ba17Yb16Zn8Pt4O57" +mp-18204,Ba5Yb8Zn4O21,-6.1279068176,-2.6849810725000003,0.0611117936,0.0611117936,GGA,I4/m,A5B21C8D4_tI76_87_ah_bh2i_2h_h:Ba-O-Yb-Zn,,"Invalid WP multiplicities - A5B21C8D4_tI76_87_ah_b2h2i_2h_h:Ba-O-Yb-Zn, expected Ba5Yb8Zn4O25 to be Ba5Yb8Zn4O21" +mp-1187480,YbPtO3,-6.198825088,-1.7086635413,0.299946908,0.299946908,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Pt-Yb,,A3BC_cP5_221_c_b_a:O-Pt-Yb +mp-1208484,Tb4MgRu,-5.1401614088,-0.2381369104,0.0,-0.0054449563,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ru-Tb,24.0,ABC4_cF96_216_e_e_efg:Mg-Ru-Tb +mp-1233544,Sr4Tb2Mg(RuO6)2,-7.2519025562,-2.7025665715,0.1866290195,0.1866290195,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb +mp-1233668,Sr4Tb2Mg(RuO6)2,-7.2784400786,-2.7291040939,0.1600914971,0.1600914971,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb +mp-1233856,Sr4Tb2Mg(RuO6)2,-7.2633418067,-2.714005822,0.175189769,0.175189769,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Tb +mp-6068,Sr2TbRuO6,-7.546700514,-2.8499117326,0.0,-0.0151723751,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Ru-Sr-Tb,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Ru-Sr-Tb +mp-1517130,NaCeHf2O6,-9.201740622,-3.5167281444,0.1010883621,0.1010883621,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ce-Hf-Na-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ce-Hf-Na-O +mp-1522830,NaCeHfNbO6,-8.930021485,-3.2305974064,0.173531718,0.173531718,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ce-Hf-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ce-Hf-Na-Nb-O +mp-1225682,Eu2NbGaO7,-9.1796136532,-2.973229504,0.0230343573,0.0230343573,GGA,Imma,A2BCD7_oI44_74_ac_b_d_3ej:Eu-Ga-Nb-O,22.0,"Invalid WP multiplicities - A2BCD7_oI44_74_ac_b_d_5e2j:Eu-Ga-Nb-O, expected Eu2NbGaO13 to be Eu2NbGaO7" +mp-1519267,NaEuNb2O6,-9.15953995,-3.0133130059,0.0,-0.0113156538,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Eu-Na-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Eu-Na-Nb-O +mp-1228702,Ba4Nd2Cu6NiO15,-6.4115388411,-2.0619709127,0.0440830862,0.0440830862,GGA+U,Imm2,A4B6C2DE15_oI56_44_4a_6a_2a_a_4a11b:Ba-Cu-Nd-Ni-O,28.0,A4B6C2DE15_oI56_44_4a_6a_2a_a_4a11b:Ba-Cu-Nd-Ni-O +mp-1522925,BaNd(NiO3)4,-6.0141203367,-1.0603462463,0.3908705114,0.3908705114,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Nd-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Nd-Ni-O, expected BaNd(NiO4)4 to be BaNd(NiO3)4" +mp-18763,BaNd2NiO5,-7.6739892533,-3.0107836932,0.0,-0.0067335381,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Nd-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Nd-Ni-O +mp-1520326,NaPr(NiO3)4,-5.7118575694,-0.7905107748,0.4539852142,0.4539852142,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Na-Ni-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Na-Ni-O-Pr, expected NaPr(NiO4)4 to be NaPr(NiO3)4" +mp-13187,Mg2Tl2(MoO4)3,-7.4003740168,-2.1465286875,0.0,-0.0106916032,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Mg-Mo-O-Tl,76.0,"Invalid WP multiplicities - A2B3C12D2_cP76_198_2a_b_8b_2a:Mg-Mo-O-Tl, expected Mg2Tl2(MoO8)3 to be Mg2Tl2(MoO4)3" +mp-2228615,MgTl4(MoO4)2,-6.452112792,-1.6310686222,0.1419664361,0.1419664361,GGA+U,P1,AB2C8D4_aP15_1_a_2a_8a_4a:Mg-Mo-O-Tl,15.0,AB2C8D4_aP15_1_a_2a_8a_4a:Mg-Mo-O-Tl +mp-2228731,MgTl4(MoO4)2,-6.422542232,-1.6014980622,0.1715369961,0.1715369961,GGA+U,C2,AB2C8D4_mC30_5_a_c_4c_abc:Mg-Mo-O-Tl,15.0,"Invalid WP multiplicities - AB2C8D4_mC30_5_a_c_7c_ab2c:Mg-Mo-O-Tl, expected MgTl6(MoO7)2 to be MgTl4(MoO4)2" +mp-2228641,MgTl4(MoO4)2,-6.3967982113,-1.5757540416,0.1972810168,0.1972810168,GGA+U,P3m1,AB2C8D4_hP15_156_c_ab_ab2d_ab2c:Mg-Mo-O-Tl,15.0,"Invalid WP multiplicities - AB2C8D4_hP15_156_c_ab_ab5d_ab2c:Mg-Mo-O-Tl, expected MgTl4Mo2O17 to be MgTl4(MoO4)2" +mp-962071,MgScTl,-3.18972379,0.2420736439,0.382752605,0.382752605,GGA,F-43m,ABC_cF12_216_a_c_b:Mg-Sc-Tl,3.0,ABC_cF12_216_a_c_b:Mg-Sc-Tl +mp-2218801,MgScTl(MoO4)2,-7.6256942631,-2.1210633237,0.352011686,0.352011686,GGA+U,P3m1,AB2C8DE_hP13_156_a_bc_bc2d_a_a:Mg-Mo-O-Sc-Tl,13.0,"Invalid WP multiplicities - AB2C8DE_hP13_156_a_bc_bc3d_a_a:Mg-Mo-O-Sc-Tl, expected MgScTlMo2O11 to be MgScTl(MoO4)2" +mp-2218524,MgScTl(MoO4)2,-7.6037152392,-2.0990842999,0.3739907099,0.3739907099,GGA+U,P3m1,AB2C8DE_hP13_156_a_ab_ab2d_c_c:Mg-Mo-O-Sc-Tl,13.0,"Invalid WP multiplicities - AB2C8DE_hP13_156_a_ab_ab3d_c_c:Mg-Mo-O-Sc-Tl, expected MgScTlMo2O11 to be MgScTl(MoO4)2" +mp-2218557,MgScMo3O8,-8.5606809669,-2.4035110304,0.1131542435,0.1131542435,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Sc,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Sc +mp-2218785,MgScMo3O8,-8.4899511323,-2.3327811958,0.1838840781,0.1838840781,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Sc,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Sc +mp-2218443,MgScMo3O8,-8.4457334085,-2.2885634719,0.228101802,0.228101802,GGA+U,P-1,AB3C8D_aP13_2_a_bcg_4i_d:Mg-Mo-O-Sc,13.0,"Invalid WP multiplicities - AB3C8D_aP13_2_a_bcg_8i_d:Mg-Mo-O-Sc, expected MgScMo3O16 to be MgScMo3O8" +mp-2240906,MgScMo3O8,-8.4181502654,-2.2609803288,0.255684945,0.255684945,GGA+U,C2/m,AB3C8D_mC26_12_a_cf_2ij_b:Mg-Mo-O-Sc,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_b_c2e_4i4j_a:Mg-Mo-O-Sc, expected MgScMo5O24 to be MgScMo3O8" +mp-605486,ScTl(MoO4)2,-8.168641294,-2.3386477805,0.0109868494,0.0005057403,GGA+U,Pnma,A2B8CD_oP48_62_2c_4c2d_c_c:Mo-O-Sc-Tl,48.0,"Invalid WP multiplicities - A2B8CD_oP48_62_5c_14c13d_c_c:Mo-O-Sc-Tl, expected ScTl(MoO8)5 to be ScTl(MoO4)2" +mp-19450,ScTl(MoO4)2,-8.1796281433,-2.3496346299,0.0,-0.0104811091,GGA+U,P-3m1,A2B8CD_hP12_164_d_di_a_b:Mo-O-Sc-Tl,12.0,"Invalid WP multiplicities - A2B8CD_hP12_164_d_d2i_a_b:Mo-O-Sc-Tl, expected ScTl(MoO7)2 to be ScTl(MoO4)2" +mp-1096373,MgScTl2,-1.6481110025,1.5163978596,1.6219070804,1.6219070804,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Sc-Tl,4.0,ABC2_oI8_71_a_b_e:Mg-Sc-Tl +mp-866080,MgSc2Tl,-4.3497347225,-0.1927693708,0.0,-0.0409178287,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Sc-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Sc-Tl +mp-554909,Ba3MgIr2O9,-6.961008297,-2.3240568549,0.0,-0.1037893722,GGA,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Mg-O,30.0,"Invalid WP multiplicities - A3B2CD9_hP30_194_2b2f_f_a_6h7k:Ba-Ir-Mg-O, expected Ba6Mg(IrO30)2 to be Ba3MgIr2O9" +mp-1228263,Ba3MgIrRuO9,-7.043569742,-2.3775537426,0.000525234,0.000525234,GGA,P-3m1,A3BCD9E_hP30_164_c2d_d_ab_3i_d:Ba-Ir-Mg-O-Ru,30.0,A3BCD9E_hP30_164_c2d_d_ab_3i_d:Ba-Ir-Mg-O-Ru +mp-6520,Ba3MgRu2O9,-7.127181655,-2.4321010983,0.0,-0.0901699419,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Mg-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Mg-O-Ru +mp-1233093,Ba6Mg(IrO3)6,-6.9351521906,-1.9291802044,0.1746596261,0.1746596261,GGA,P1,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O,31.0,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O +mp-1233352,Ba6Mg(IrO3)6,-6.9190149026,-1.9130429164,0.1907969142,0.1907969142,GGA,P1,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O,31.0,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O +mp-1233626,Ba6Mg(IrO3)6,-6.9293763719,-1.9234043857,0.1804354448,0.1804354448,GGA,P1,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O,31.0,"Invalid WP multiplicities - A6B6CD18_mC62_8_6a_6a_a_6a12b:Ba-Ir-Mg-O, expected Ba6Mg(IrO5)6 to be Ba6Mg(IrO3)6" +mp-1234326,Ba6Mg(IrO3)6,-6.9258842461,-1.9199122599,0.1839275706,0.1839275706,GGA,P1,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O,31.0,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O +mp-1234622,Ba6Mg(IrO3)6,-6.9265372039,-1.9205652177,0.1832746129,0.1832746129,GGA,P1,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O,31.0,A6B6CD18_aP31_1_6a_6a_a_18a:Ba-Ir-Mg-O +mp-1233320,Ba6Mg(IrO3)6,-6.9202742503,-1.9143022641,0.1895375664,0.1895375664,GGA,P-1,A6B6CD18_aP31_2_3i_ab2i_c_9i:Ba-Ir-Mg-O,31.0,"Invalid WP multiplicities - A6B6CD18_aP31_2_5i_ab4i_c_17i:Ba-Ir-Mg-O, expected Ba10Mg(Ir5O17)2 to be Ba6Mg(IrO3)6" +mp-1234911,Ba6Mg(IrO3)6,-6.9809971058,-1.9750251196,0.1288147109,0.1288147109,GGA,P-1,A6B6CD18_aP31_2_3i_ab2i_d_9i:Ba-Ir-Mg-O,31.0,"Invalid WP multiplicities - A6B6CD18_aP31_2_5i_ab4i_d_17i:Ba-Ir-Mg-O, expected Ba10Mg(Ir5O17)2 to be Ba6Mg(IrO3)6" +mp-1234098,Ba6Mg(IrO3)6,-6.9081596058,-1.9021876196,0.2016522109,0.2016522109,GGA,C2,A6B6CD18_mC62_5_ab2c_3c_a_ab8c:Ba-Ir-Mg-O,31.0,A6B6CD18_mC62_5_ab2c_3c_a_ab8c:Ba-Ir-Mg-O +mp-1518750,NaEu(FeO3)4,-5.0814657533,0.7418607171,2.2965870758,2.2965870758,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Fe-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Fe-Na-O, expected NaEu(Fe2O9)2 to be NaEu(FeO3)4" +mp-1523129,NaEuDyFeO6,-7.752565412,-2.3189186709,0.2013088856,0.2013088856,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Dy-Eu-Fe-Na-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Dy-Eu-Fe-Na-O +mp-1521034,NaDy(FeO3)4,-6.89871618,-1.3892905406,0.2800572289,0.2800572289,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Dy-Fe-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Dy-Fe-Na-O, expected NaDy(Fe2O9)2 to be NaDy(FeO3)4" +mp-1228649,Ba2LaNb5O15,-9.0577274739,-3.2542138716,0.0095635313,0.0095635313,GGA,P4/mbm,A2BC5D15_tP46_127_g_a_cj_dhi2j:Ba-La-Nb-O,46.0,A2BC5D15_tP46_127_g_a_cj_dhi2j:Ba-La-Nb-O +mp-31627,Ba2NbCrO6,-8.384206667,-3.0569632012,0.0,-0.0261466419,GGA+U,P6_3/mmc,A2BCD6_hP40_194_acf_e_f_ghk:Ba-Cr-Nb-O,40.0,"Invalid WP multiplicities - A2BCD6_hP40_194_acf_e_f_g2hk:Ba-Cr-Nb-O, expected Ba4Nb2Cr2O15 to be Ba2NbCrO6" +mp-1522286,Ba2LaCrO6,-7.6395527597,-2.8288390875,0.1349885483,0.1349885483,GGA+U,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Cr-La-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Cr-La-O +mp-1522336,Ba2LaCrO6,-7.615097076,-2.8043834037,0.159444232,0.159444232,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Cr-La-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Cr-La-O +mp-1519828,BaNb2CrO6,-8.860087407,-2.7146109312,0.1713739912,0.1713739912,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Ba-Cr-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Ba-Cr-Nb-O +mp-1223155,La2NbCrO6,-9.063751851,-3.1331019522,0.188914777,0.188914777,GGA+U,I4/m,AB2CD6_tI20_87_a_d_b_eh:Cr-La-Nb-O,10.0,AB2CD6_tI20_87_a_d_b_eh:Cr-La-Nb-O +mp-553281,Ba2LaNbO6,-8.244283973,-3.3887445438,0.0,-0.0018592449,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-La-Nb-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-La-Nb-O +mp-1516258,Ba2LaNbO6,-8.2307575238,-3.3752180945,0.0135264492,0.0116672043,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-La-Nb-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-La-Nb-O +mp-1516433,Ba2LaNbO6,-8.220792245,-3.3652528157,0.023491728,0.0216324831,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-La-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-La-Nb-O +mp-1519975,BaNb4CrO12,-9.0543244267,-2.8689073653,0.1457907886,0.1457907886,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ba-Cr-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ba-Cr-Nb-O, expected BaNb4CrO18 to be BaNb4CrO12" +mp-1228150,Ba3LaNb3O12,-8.5818530605,-3.2998998195,0.0609715146,0.0609715146,GGA,R3m,A3BC3D12_hR57_160_3a_a_3a_4b:Ba-La-Nb-O,19.0,A3BC3D12_hR57_160_3a_a_3a_4b:Ba-La-Nb-O +mp-1227851,BaLaNbCrO6,-8.696294436,-3.0673477537,0.1269996647,0.1269996647,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-La-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-La-Nb-O +mp-1519489,BaLaNbCrO6,-7.728826215,-2.0998795327,1.0944678857,1.0944678857,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Cr-La-Nb-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Cr-La-Nb-O +mp-2230422,Ba4MgCo(ReO6)2,-7.618159688,-2.5864688625000003,0.0834091126,0.0834091126,GGA+U,R-3m,A4BCD12E2_hR60_166_2c_a_b_2h_c:Ba-Co-Mg-O-Re,20.0,A4BCD12E2_hR60_166_2c_a_b_2h_c:Ba-Co-Mg-O-Re +mp-545792,Ba2CoReO6,-7.7585774833,-2.4514847705,0.047448686,0.047448686,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-Re,40.0,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-Re +mp-1106249,Ba4Co(ReO6)2,-7.8427476626,-2.63045627,0.0,-0.0513599745,GGA+U,R-3m,A4BC12D2_hR57_166_2c_a_2h_c:Ba-Co-O-Re,19.0,A4BC12D2_hR57_166_2c_a_2h_c:Ba-Co-O-Re +mp-2218227,MgCo(ReO4)2,-8.0372589625,-1.9396621371,0.2637971404,0.2637971404,GGA+U,P-3m1,ABC8D2_hP12_164_a_b_di_d:Co-Mg-O-Re,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_a_d_6i_i:Co-Mg-O-Re, expected MgCo(ReO6)2 to be MgCo(ReO4)2" +mp-22441,Ba2MgReO6,-7.597111432,-2.8408224937,0.0,-0.0363587195,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-Re +mp-559151,BaSrTa2O7,-9.1224421141,-3.4905471475,0.0,-0.0165844076,GGA,Immm,AB7CD2_oI44_71_e_efg2n_bc_n:Ba-O-Sr-Ta,22.0,"Invalid WP multiplicities - AB7CD2_oI44_71_e_2e2f2g7n_bc_n:Ba-O-Sr-Ta, expected BaSrTa2O20 to be BaSrTa2O7" +mp-23611,BaTa2Bi2O9,-8.3514448093,-2.7917514621,0.0298770737,0.0298770737,GGA,I4/mmm,AB2C9D2_tI28_139_a_e_bdeg_e:Ba-Bi-O-Ta,14.0,"Invalid WP multiplicities - AB2C9D2_tI28_139_a_e_b2deg_e:Ba-Bi-O-Ta, expected BaTa2Bi2O11 to be BaTa2Bi2O9" +mp-545544,Ba2TaBiO6,-7.878894666,-2.9572597752,0.0,-0.0121448347,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Ta,10.0,"Invalid WP multiplicities - A2BC6D_mC20_12_i_a_2i2j_d:Ba-Bi-O-Ta, expected Ba2TaBiO12 to be Ba2TaBiO6" +mp-23092,Ba2TaBiO6,-7.878597351,-2.9569624603,0.000297315,-0.0118475197,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Ta,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Ta +mp-552200,Ba2TaBiO6,-7.864531307,-2.9428964162,0.014363359,0.0022185243,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Ta +mp-23089,SrTa2Bi2O9,-8.3906115611,-2.8473097486,0.0,-0.0020408334,GGA,Cmc2_1,A2B9CD2_oC56_36_b_a4b_a_b:Bi-O-Sr-Ta,28.0,"Invalid WP multiplicities - A2B9CD2_oC56_36_b_a5b_a_b:Bi-O-Sr-Ta, expected SrTa2Bi2O11 to be SrTa2Bi2O9" +mp-556569,SrTa2Bi2O9,-8.3154204046,-2.7721185922,0.0751911564,0.073150323,GGA,Cmc2_1,A2B9CD2_oC56_36_b_a4b_a_b:Bi-O-Sr-Ta,28.0,"Invalid WP multiplicities - A2B9CD2_oC56_36_b_2a13b_a_b:Bi-O-Sr-Ta, expected SrTa2(BiO14)2 to be SrTa2Bi2O9" +mp-559951,SrTa2Bi2O9,-8.3800064011,-2.8367045886,0.01060516,0.0085643266,GGA,Aea2,A2B9CD2_oC56_41_b_a4b_a_b:Bi-O-Sr-Ta,28.0,"Invalid WP multiplicities - A2B9CD2_oC56_41_b_a14b_a_b:Bi-O-Sr-Ta, expected SrTa2Bi2O29 to be SrTa2Bi2O9" +mp-554675,SrTa2Bi2O9,-8.3661651879,-2.8228633754,0.0244463732,0.0224055398,GGA,I4/mmm,A2B9CD2_tI28_139_e_adeg_b_e:Bi-O-Sr-Ta,14.0,"Invalid WP multiplicities - A2B9CD2_tI28_139_e_a2d2e4g_b_e:Bi-O-Sr-Ta, expected SrTa2Bi2O25 to be SrTa2Bi2O9" +mp-7980,Ba3SrTa2O9,-8.4372312907,-3.3917531617,0.014886689,-0.0136858874,GGA,P-3m1,A3B9CD2_hP15_164_ad_ei_b_d:Ba-O-Sr-Ta,15.0,"Invalid WP multiplicities - A3B9CD2_hP15_164_a2d_ei_b_d:Ba-O-Sr-Ta, expected Ba5SrTa2O9 to be Ba3SrTa2O9" +mp-540950,Ba3SrTa2O9,-8.4521179797,-3.4066398507,0.0,-0.0285725764,GGA,P6_3/m,A3B9CD2_hP30_176_af_hi_b_f:Ba-O-Sr-Ta,30.0,A3B9CD2_hP30_176_af_hi_b_f:Ba-O-Sr-Ta +mp-540795,Ba3SrTa2O9,-8.4360171133,-3.3905389844,0.0161008663,-0.0124717101,GGA,P6_3/mmc,A3B9CD2_hP30_194_bf_hk_a_f:Ba-O-Sr-Ta,30.0,A3B9CD2_hP30_194_bf_hk_a_f:Ba-O-Sr-Ta +mp-1229255,Ba2SrTa6(Bi2O9)3,-8.3456704705,-2.7914409682,0.042830464,0.042830464,GGA,Immm,A2B6C27DE6_oI84_71_g_en_be3fh4n_a_en:Ba-Bi-O-Sr-Ta,42.0,"Invalid WP multiplicities - A2B6C27DE6_oI84_71_g_2e3n_b2e6f2h12n_a_2e3n:Ba-Bi-O-Sr-Ta, expected Ba2SrTa16Bi16O69 to be Ba2SrTa6(Bi2O9)3" +mp-1522487,BaHfTiInO6,-8.326227909,-3.1058807106,0.1902210667,0.1902210667,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-In-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-In-O-Ti +mp-1520442,LiNd(FeO3)4,-6.9306160433,-1.3796482837,0.3086492811,0.3086492811,GGA+U,P4/mmm,A4BCD12_tP18_123_i_a_d_efr:Fe-Li-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_tP18_123_i_a_d_2e2fr:Fe-Li-Nd-O, expected LiNd(FeO4)4 to be LiNd(FeO3)4" +mp-1517148,CaEu(FeO3)4,-7.3989541372,-1.5376790786,0.2355569595,0.2355569595,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ca-Eu-Fe-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ca-Eu-Fe-O, expected CaEu(FeO4)4 to be CaEu(FeO3)4" +mp-1518402,BaEu(FeO3)4,-7.3846922206,-1.5282296586,0.226832412,0.226832412,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Eu-Fe-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Eu-Fe-O, expected BaEu(FeO4)4 to be BaEu(FeO3)4" +mp-1228898,Ba5Eu5(Fe5O13)2,-8.3564793209,-2.3957401406,0.0,-0.01107555,GGA+U,P-1,A5B5C10D26_aP46_2_b2i_d2i_5i_ch12i:Ba-Eu-Fe-O,46.0,"Invalid WP multiplicities - A5B5C10D26_aP46_2_b3i_d3i_10i_ch24i:Ba-Eu-Fe-O, expected Ba7Eu7(Fe2O5)10 to be Ba5Eu5(Fe5O13)2" +mp-639347,BaEuFe2O5,-8.3584301789,-2.3751565437,0.0141460767,0.0063964634,GGA+U,P4mm,ABC2D5_tP9_99_a_a_2b_b2c:Ba-Eu-Fe-O,9.0,"Invalid WP multiplicities - ABC2D5_tP9_99_a_a_2b_b4c:Ba-Eu-Fe-O, expected BaEuFe2O9 to be BaEuFe2O5" +mp-656144,BaEuFe2O5,-8.3725762556,-2.3893026204,0.0,-0.0077496133,GGA+U,P4/mmm,ABC2D5_tP9_123_a_b_h_ci:Ba-Eu-Fe-O,9.0,ABC2D5_tP9_123_a_b_h_ci:Ba-Eu-Fe-O +mp-1519654,BaCaEuFeO6,-7.643068258,-2.4098952482,0.1433133128,0.1433133128,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ca-Eu-Fe-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ca-Eu-Fe-O +mp-1229152,Ba3Eu3(Fe3O8)2,-8.3201358314,-2.3738830864,0.0138650957,0.0138650957,GGA+U,C2/m,A3B3C6D16_mC56_12_ai_di_3i_bci3j:Ba-Eu-Fe-O,28.0,"Invalid WP multiplicities - A3B3C6D16_mC56_12_a2i_di_6i_bc2i11j:Ba-Eu-Fe-O, expected Ba5Eu3(Fe6O25)2 to be Ba3Eu3(Fe3O8)2" +mp-1041415,ZnCu2(MoO4)2,-7.0115840952,-1.5713558752,0.0722142099,0.0722142099,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cu-Mo-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_6e_5e_26e_e:Cu-Mo-O-Zn, expected ZnCu6Mo5O26 to be ZnCu2(MoO4)2" +mp-631379,ZnCuMo,-4.4340447967,0.9674886667,1.02799202,1.02799202,GGA,F-43m,ABC_cF12_216_a_c_b:Cu-Mo-Zn,3.0,ABC_cF12_216_a_c_b:Cu-Mo-Zn +mp-1216412,Zn11Cu(MoO4)12,-7.2469332397,-1.8921381586,0.001878639,0.001878639,GGA+U,P1,AB12C48D11_aP72_1_a_12a_48a_11a:Cu-Mo-O-Zn,72.0,AB12C48D11_aP72_1_a_12a_48a_11a:Cu-Mo-O-Zn +mp-1407332,La2ZnMoO6,-8.043507139,-2.8777531193,0.0577701432,0.0577701432,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mo-O-Zn,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mo-O-Zn +mp-558757,La4Cu6(MoO4)9,-7.9794107749,-2.1606669015,0.0174804634,0.0174804634,GGA+U,R3c,A6B4C9D36_hR330_161_2b_ab_3b_12b:Cu-La-Mo-O,110.0,"Invalid WP multiplicities - A6B4C9D36_hR330_161_7b_2a2b_13b_67b:Cu-La-Mo-O, expected La8Cu21(Mo13O67)3 to be La4Cu6(MoO4)9" +mp-1216064,ZnCu(MoO4)2,-7.2883533433,-1.7363733275,0.0231636277,0.0231636277,GGA+U,P1,AB2C8D_aP36_1_3a_6a_24a_3a:Cu-Mo-O-Zn,36.0,AB2C8D_aP36_1_3a_6a_24a_3a:Cu-Mo-O-Zn +mp-1223504,La4Cu3MoO12,-7.7400031095,-2.6276249558,0.0565332953,0.0565332953,GGA+U,P-1,A3B4CD12_aP40_2_abcdeh_4i_fg_12i:Cu-La-Mo-O,40.0,"Invalid WP multiplicities - A3B4CD12_aP40_2_abcdeh_4i_fg_20i:Cu-La-Mo-O, expected La4Cu3MoO20 to be La4Cu3MoO12" +mp-1203941,La4Cu3MoO12,-7.7888949125,-2.6765167588,0.0076414923,0.0076414923,GGA+U,Pm,A3B4CD12_mP40_6_3a3b_4c_ab_4a4b8c:Cu-La-Mo-O,40.0,A3B4CD12_mP40_6_3a3b_4c_ab_4a4b8c:Cu-La-Mo-O +mp-554177,La4Cu3MoO12,-7.7899797897,-2.677601636,0.006556615,0.006556615,GGA+U,P2_1/m,A3B4CD12_mP40_11_3e_2f_e_4e4f:Cu-La-Mo-O,40.0,"Invalid WP multiplicities - A3B4CD12_mP40_11_4e_6f_e_8e15f:Cu-La-Mo-O, expected La12Cu4MoO38 to be La4Cu3MoO12" +mp-1147539,La4Cu3MoO12,-7.571907561,-2.4595294073,0.2246288438,0.2246288438,GGA+U,Im-3m,A3B4CD12_cI40_229_b_c_a_de:Cu-La-Mo-O,20.0,"Invalid WP multiplicities - A3B4CD12_cI40_229_b_c_a_2de:Cu-La-Mo-O, expected La4Cu3MoO18 to be La4Cu3MoO12" +mp-1223629,La4ZnCu2MoO12,-7.7225297155,-2.7521247147,0.016772713,0.016772713,GGA+U,P-1,A2B4CD12E_aP40_2_2i_acde2i_i_12i_i:Cu-La-Mo-O-Zn,40.0,A2B4CD12E_aP40_2_2i_acde2i_i_12i_i:Cu-La-Mo-O-Zn +mp-1041894,ZnCuMo2O7,-7.2498493827,-1.6428428847,0.1280251997,0.1280251997,GGA+U,P2/c,AB2C7D_mP66_13_eg_3g_f10g_eg:Cu-Mo-O-Zn,66.0,"Invalid WP multiplicities - AB2C7D_mP66_13_2e3g_9g_2f38g_2e3g:Cu-Mo-O-Zn, expected Zn4Cu4(Mo3O13)3 to be ZnCuMo2O7" +mp-1216462,Zn7Cu8(MoO4)12,-7.1488155383,-1.6928059637,0.0326408823,0.0326408823,GGA+U,P1,A8B12C48D7_aP75_1_8a_12a_48a_7a:Cu-Mo-O-Zn,75.0,A8B12C48D7_aP75_1_8a_12a_48a_7a:Cu-Mo-O-Zn +mp-1043065,ZnCu3(MoO3)4,-7.364981105,-1.5499696753,0.1274682168,0.1274682168,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mo-O-Zn,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mo-O-Zn +mp-1212602,LaCu(MoO4)2,-8.1240850618,-2.2657497547,0.025024632,0.025024632,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-La-Mo-O,96.0,ABC2D8_oP96_61_c_c_2c_8c:Cu-La-Mo-O +mp-1268193,Ca8Mn7CrO23,-7.7373105416,-2.5166491592,0.0661120104,0.0661120104,GGA+U,P1,A8BC7D23_aP156_1_32a_4a_28a_92a:Ca-Cr-Mn-O,156.0,A8BC7D23_aP156_1_32a_4a_28a_92a:Ca-Cr-Mn-O +mp-1247680,Ca8Mn7CrO23,-7.6826857697,-2.4620243874,0.1207367822,0.1207367822,GGA+U,P4mm,A8BC7D23_tP39_99_2d_a_a2b2c_a2b2c2e2f:Ca-Cr-Mn-O,39.0,"Invalid WP multiplicities - A8BC7D23_tP39_99_8d_a_a2b4c_a2b4c8e8f:Ca-Cr-Mn-O, expected Ca32Mn11CrO75 to be Ca8Mn7CrO23" +mp-1247652,Ca8Mn6Cr2O21,-7.7956089009,-2.546867045,0.1124643687,0.1124643687,GGA+U,P1,A8B2C6D21_aP148_1_32a_8a_24a_84a:Ca-Cr-Mn-O,148.0,A8B2C6D21_aP148_1_32a_8a_24a_84a:Ca-Cr-Mn-O +mp-1247719,Ca8Mn6Cr2O21,-7.76200677,-2.5132649141,0.1460664997,0.1460664997,GGA+U,Pm,A8B2C6D21_mP37_6_4c_2a_2a4b_6a7b4c:Ca-Cr-Mn-O,37.0,"Invalid WP multiplicities - A8B2C6D21_mP37_6_8c_2a_2a4b_6a7b8c:Ca-Cr-Mn-O, expected Ca16Mn6Cr2O29 to be Ca8Mn6Cr2O21" +mp-1247715,Ca4Mn3CrO12,-7.7561445066,-2.5300566366,0.0408551667,0.0408551667,GGA+U,Pm,A4BC3D12_mP80_6_4a4b4c_2c_6c_4a4b20c:Ca-Cr-Mn-O,80.0,"Invalid WP multiplicities - A4BC3D12_mP80_6_4a4b4c_3c_12c_4a4b36c:Ca-Cr-Mn-O, expected Ca8Mn12Cr3O40 to be Ca4Mn3CrO12" +mp-1247672,Ca4Mn3CrO12,-7.673319641,-2.4472317709,0.1236800323,0.1236800323,GGA+U,P4/mmm,A4BC3D12_tP20_123_k_a_cf_bdeln:Ca-Cr-Mn-O,20.0,"Invalid WP multiplicities - A4BC3D12_tP20_123_k_a_cf_bde3l3n:Ca-Cr-Mn-O, expected Ca4Mn3CrO28 to be Ca4Mn3CrO12" +mp-1247615,Ca4Mn3CrO11,-7.7936891321,-2.5528960432,0.0787964795,0.0787964795,GGA+U,P1,A4BC3D11_aP76_1_16a_4a_12a_44a:Ca-Cr-Mn-O,76.0,A4BC3D11_aP76_1_16a_4a_12a_44a:Ca-Cr-Mn-O +mp-1247657,Ca4Mn3CrO11,-7.7287678189,-2.48797473,0.1437177926,0.1437177926,GGA+U,Pmm2,A4BC3D11_oP38_25_2i_ab_ab2c2d_2abc2d2e2f2g2h:Ca-Cr-Mn-O,38.0,"Invalid WP multiplicities - A4BC3D11_oP38_25_8i_ab_ab2c2d_2abc2d4e4f4g4h:Ca-Cr-Mn-O, expected Ca16Mn3CrO19 to be Ca4Mn3CrO11" +mp-1247684,Ca8Mn7CrO20,-7.7848596935,-2.5413672552,0.1225362161,0.1225362161,GGA+U,P1,A8BC7D20_aP144_1_32a_4a_28a_80a:Ca-Cr-Mn-O,144.0,A8BC7D20_aP144_1_32a_4a_28a_80a:Ca-Cr-Mn-O +mp-1247700,Ca8Mn7CrO20,-7.7309068797,-2.4874144414,0.1764890298,0.1764890298,GGA+U,Cm,A8BC7D20_mC72_8_4a2b_a_3a2b_2a9b:Ca-Cr-Mn-O,36.0,"Invalid WP multiplicities - A8BC7D20_mC72_8_4a4b_a_3a4b_2a18b:Ca-Cr-Mn-O, expected Ca12Mn11CrO38 to be Ca8Mn7CrO20" +mp-1247704,Ca8Mn7CrO21,-7.7738120578,-2.5383413419,0.097052672,0.097052672,GGA+U,P1,A8BC7D21_aP148_1_32a_4a_28a_84a:Ca-Cr-Mn-O,148.0,A8BC7D21_aP148_1_32a_4a_28a_84a:Ca-Cr-Mn-O +mp-1247711,Ca8Mn7CrO21,-7.7369938451,-2.5015231292,0.1338708847,0.1338708847,GGA+U,Pm,A8BC7D21_mP37_6_4c_a_3a4b_6a7b4c:Ca-Cr-Mn-O,37.0,"Invalid WP multiplicities - A8BC7D21_mP37_6_8c_a_3a4b_6a7b8c:Ca-Cr-Mn-O, expected Ca16Mn7CrO29 to be Ca8Mn7CrO21" +mp-706248,Ca6Pr6Mn11CrO36,-8.2418250437,-2.7545743254,0.0035801367,0.0035801367,GGA+U,P1,A6BC11D36E6_aP60_1_6a_a_11a_36a_6a:Ca-Cr-Mn-O-Pr,60.0,A6BC11D36E6_aP60_1_6a_a_11a_36a_6a:Ca-Cr-Mn-O-Pr +mp-1247613,Ca8Mn7CrO22,-7.7584946369,-2.5306234474,0.0777616069,0.0777616069,GGA+U,P1,A8BC7D22_aP152_1_32a_4a_28a_88a:Ca-Cr-Mn-O,152.0,A8BC7D22_aP152_1_32a_4a_28a_88a:Ca-Cr-Mn-O +mp-1247622,Ca8Mn7CrO22,-7.6924401982,-2.4645690086,0.1438160457,0.1438160457,GGA+U,P4mm,A8BC7D22_tP38_99_2d_a_a2b2c_ab2c2e2f:Ca-Cr-Mn-O,38.0,"Invalid WP multiplicities - A8BC7D22_tP38_99_8d_a_a2b4c_ab4c8e8f:Ca-Cr-Mn-O, expected Ca32Mn11CrO74 to be Ca8Mn7CrO22" +mp-1147781,CaPr2Mn3O9,-8.0800592507,-2.5084822062,0.3030315863,0.3030315863,GGA+U,P1,AB3C9D2_aP15_1_a_3a_9a_2a:Ca-Mn-O-Pr,15.0,AB3C9D2_aP15_1_a_3a_9a_2a:Ca-Mn-O-Pr +mp-40630,CaPrMn2O6,-8.222691291,-2.7436244423,0.0,-0.0018400038,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Mn-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ca-Mn-O-Pr, expected CaPrMn2O12 to be CaPrMn2O6" +mp-1247629,Ca4Mn3CrO10,-7.8137279256,-2.5565957045000003,0.1319100944,0.1319100944,GGA+U,P1,A4BC3D10_aP72_1_16a_4a_12a_40a:Ca-Cr-Mn-O,72.0,A4BC3D10_aP72_1_16a_4a_12a_40a:Ca-Cr-Mn-O +mp-1247727,Ca4Mn3CrO10,-7.7454464106,-2.4883141895,0.2001916094,0.2001916094,GGA+U,P1,A4BC3D10_aP36_1_8a_2a_6a_20a:Ca-Cr-Mn-O,36.0,A4BC3D10_aP36_1_8a_2a_6a_20a:Ca-Cr-Mn-O +mp-1247675,Ca8Mn7CrO24,-7.717651064,-2.5038389984,0.0497550953,0.0497550953,GGA+U,Pm,A8BC7D24_mP160_6_8a8b8c_2c_14c_8a8b40c:Ca-Cr-Mn-O,160.0,"Invalid WP multiplicities - A8BC7D24_mP160_6_8a8b16c_3c_28c_8a8b80c:Ca-Cr-Mn-O, expected Ca24Mn28Cr3O88 to be Ca8Mn7CrO24" +mp-1247642,Ca8Mn7CrO24,-7.6397548938,-2.4259428281,0.1276512656,0.1276512656,GGA+U,Pm-3m,A8BC7D24_cP40_221_g_a_bcd_efh:Ca-Cr-Mn-O,40.0,"Invalid WP multiplicities - A8BC7D24_cP40_221_g_a_b2c2d_5e5f6h:Ca-Cr-Mn-O, expected Ca8Mn13CrO132 to be Ca8Mn7CrO24" +mp-1247648,Ca8Mn6Cr2O23,-7.6981585223,-2.4649065713,0.1405644392,0.1405644392,GGA+U,Pmm2,A8B2C6D23_oP39_25_2i_ab_ab2c2d_2ab2c2d2e2f2g2h:Ca-Cr-Mn-O,39.0,"Invalid WP multiplicities - A8B2C6D23_oP39_25_8i_ab_ab2c2d_2ab2c2d4e4f4g4h:Ca-Cr-Mn-O, expected Ca32Mn6Cr2O39 to be Ca8Mn6Cr2O23" +mp-532591,Ca9Pr11Mn20O60,-8.2677383183,-2.7609184109,0.0030728365,0.0030728365,GGA+U,Pm,A9B20C60D11_mP100_6_a4c_10c_2a2b28c_a2b4c:Ca-Mn-O-Pr,100.0,"Invalid WP multiplicities - A9B20C60D11_mP100_6_a6c_16c_2a2b51c_a2b7c:Ca-Mn-O-Pr, expected Ca13Pr17Mn32O106 to be Ca9Pr11Mn20O60" +mp-1022613,LaMg6Zn,-1.9753462869,-0.00066741,0.1298325065,0.1298325065,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Zn, expected LaMg12Zn to be LaMg6Zn" +mp-1099271,LaMg6Zn,-1.99095087,-0.0162719931,0.1142279234,0.1142279234,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:La-Mg-Zn +mp-1189728,La7ZnNi2,-4.955926776,-0.2187201055,0.0,-0.0046016443,GGA,P4/mbm,A7B2C_tP20_127_cgj_g_a:La-Ni-Zn,20.0,A7B2C_tP20_127_cgj_g_a:La-Ni-Zn +mp-1093885,La2MgZn,-1.03866124,2.1443482275,2.3573566625,2.3573566625,GGA,Immm,A2BC_oI8_71_e_a_b:La-Mg-Zn,4.0,A2BC_oI8_71_e_a_b:La-Mg-Zn +mp-1222749,LaZn2Ni3,-4.49270403,-0.3600533025,0.0,-0.0086971683,GGA,P6/mmm,AB3C2_hP6_191_a_g_c:La-Ni-Zn,6.0,AB3C2_hP6_191_a_g_c:La-Ni-Zn +mp-862662,LaMgZn2,-2.6035021175,-0.3395585238,0.0,-0.0518735508,GGA,Fm-3m,ABC2_cF16_225_a_b_c:La-Mg-Zn,4.0,ABC2_cF16_225_a_b_c:La-Mg-Zn +mp-1037547,Mg30ZnNiO32,-6.2878010466,-2.954327288,0.004273588,0.004273588,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Zn, expected Mg110ZnNiO72 to be Mg30ZnNiO32" +mp-1037533,Mg30ZnNiO32,-6.2877716086,-2.95429785,0.0043030259,0.0043030259,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Zn, expected Mg90ZnNiO80 to be Mg30ZnNiO32" +mp-1391671,La2MgNiO6,-7.510339147,-2.8170828262,0.0,-0.0013141001,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:La-Mg-Ni-O,10.0,A2BCD6_hR30_148_c_a_b_f:La-Mg-Ni-O +mp-2228083,LaMgNiO3,-6.3272186333,-1.8011369719,1.0394035484,1.0394035484,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:La-Mg-Ni-O,6.0,ABCD3_tP6_123_a_b_d_ce:La-Mg-Ni-O +mp-1027977,LaMg14Zn,-1.7838905356,0.0035889278,0.0813201857,0.0813201857,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Zn, expected LaMg18Zn to be LaMg14Zn" +mp-1027958,LaMg14Zn,-1.7731153806000002,0.0143640828,0.0920953407,0.0920953407,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Zn, expected LaMg26Zn to be LaMg14Zn" +mp-1035175,Mg14ZnNiO16,-6.2402934975,-2.8468303609000003,0.0163310916,0.0163310916,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Zn, expected Mg18ZnNiO20 to be Mg14ZnNiO16" +mp-1035172,Mg14ZnNiO16,-6.2402872425,-2.8468241059,0.0163373466,0.0163373466,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Zn, expected Mg30ZnNiO32 to be Mg14ZnNiO16" +mp-18573,La3ZnNi3,-5.1207554636,-0.34815904,0.0070670026,0.0070670026,GGA,Cmcm,A3B3C_oC28_63_cf_cf_a:La-Ni-Zn,14.0,"Invalid WP multiplicities - A3B3C_oC28_63_c2f_cf_a:La-Ni-Zn, expected La5ZnNi3 to be La3ZnNi3" +mp-2227945,MgZn(NiO2)4,-5.804910725,-1.1224764343,0.2804017026,0.2804017026,GGA+U,Cm,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn,14.0,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn +mp-2226839,MgZn(NiO2)4,-5.8430698757,-1.160635585,0.2422425519,0.2422425519,GGA+U,Cm,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn,14.0,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn +mp-2226845,MgZn(NiO2)4,-5.9364203057000005,-1.253986015,0.1488921219,0.1488921219,GGA+U,Cm,AB4C8D_mC28_8_a_2ab_4a2b_a:Mg-Ni-O-Zn,14.0,"Invalid WP multiplicities - AB4C8D_mC28_8_a_2a2b_4a3b_a:Mg-Ni-O-Zn, expected MgZn(Ni3O5)2 to be MgZn(NiO2)4" +mp-2241031,MgZn(NiO2)4,-5.853102715,-1.1706684243,0.2322097126,0.2322097126,GGA+U,Cm,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn,14.0,AB4C8D_mC28_8_a_4a_8a_a:Mg-Ni-O-Zn +mp-2227280,MgZn(NiO2)4,-6.0039538864,-1.3215195957,0.0813585412,0.0813585412,GGA+U,C2/m,AB4C8D_mC28_12_a_hi_2ij_b:Mg-Ni-O-Zn,,"Invalid WP multiplicities - AB4C8D_mC28_12_a_hi_4i3j_b:Mg-Ni-O-Zn, expected MgZn(NiO5)4 to be MgZn(NiO2)4" +mp-1176074,Li9Mn2Co5O16,-6.4801223869,-1.7865928638000002,0.1265446206,0.1265446206,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176075,Li9Mn2Co5O16,-6.5185757422,-1.8250462191,0.0880912653,0.0880912653,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176078,Li9Mn2Co5O16,-6.4928982731,-1.79936875,0.1137687344,0.1137687344,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176079,Li9Mn2Co5O16,-6.4735234325,-1.7799939094,0.133143575,0.133143575,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176081,Li9Mn2Co5O16,-6.4886252916,-1.7950957685,0.1180417159,0.1180417159,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176082,Li9Mn2Co5O16,-6.5276883366,-1.8341588135,0.0789786709,0.0789786709,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176086,Li9Mn2Co5O16,-6.5122401537,-1.8187106307,0.0944268538,0.0944268538,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176087,Li9Mn2Co5O16,-6.4759433328,-1.7824138097,0.1307236747,0.1307236747,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176088,Li9Mn2Co5O16,-6.4987310931,-1.80520157,0.1079359144,0.1079359144,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176090,Li9Mn2Co5O16,-6.4817385206,-1.7882089975,0.1249284869,0.1249284869,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176091,Li9Mn2Co5O16,-6.5159086397,-1.8223791166,0.0907583678,0.0907583678,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176092,Li9Mn2Co5O16,-6.4786090313,-1.7850795082,0.1280579763,0.1280579763,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176095,Li9Mn2Co5O16,-6.4782298491,-1.784700326,0.1284371584,0.1284371584,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176099,Li9Mn2Co5O16,-6.4990232869,-1.8054937638,0.1076437206,0.1076437206,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176104,Li9Mn2Co5O16,-6.5047420663,-1.8112125432,0.1019249413,0.1019249413,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176105,Li9Mn2Co5O16,-6.4783346509,-1.7848051278,0.1283323566,0.1283323566,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176106,Li9Mn2Co5O16,-6.4935685681,-1.800039045,0.1130984394,0.1130984394,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176109,Li9Mn2Co5O16,-6.4670854247000005,-1.7735559016,0.1395815828,0.1395815828,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176112,Li9Mn2Co5O16,-6.4873083906,-1.7937788675,0.1193586169,0.1193586169,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176114,Li9Mn2Co5O16,-6.4759362575,-1.7824067344,0.13073075,0.13073075,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176115,Li9Mn2Co5O16,-6.4772351828,-1.7837056597,0.1294318247,0.1294318247,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176116,Li9Mn2Co5O16,-6.4870620644,-1.7935325413,0.1196049431,0.1196049431,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176117,Li9Mn2Co5O16,-6.4956169216,-1.8020873985,0.1110500859,0.1110500859,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176119,Li9Mn2Co5O16,-6.4993704297,-1.8058409066,0.1072965778,0.1072965778,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176120,Li9Mn2Co5O16,-6.5009628359,-1.8074333128,0.1057041716,0.1057041716,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176121,Li9Mn2Co5O16,-6.4820090184,-1.7884794953,0.1246579891,0.1246579891,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176126,Li9Mn2Co5O16,-6.5092175538,-1.8156880307,0.0974494538,0.0974494538,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176127,Li9Mn2Co5O16,-6.4792452244,-1.7857157013,0.1274217831,0.1274217831,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176130,Li9Mn2Co5O16,-6.3408767212,-1.6473471982,0.2657902863,0.2657902863,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176132,Li9Mn2Co5O16,-6.4826447831,-1.78911526,0.1240222244,0.1240222244,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176133,Li9Mn2Co5O16,-6.5061582856,-1.8126287625,0.1005087219,0.1005087219,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176134,Li9Mn2Co5O16,-6.4824186091,-1.7888890860000002,0.1242483984,0.1242483984,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176136,Li9Mn2Co5O16,-6.5235483466,-1.8300188235,0.0831186609,0.0831186609,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176139,Li9Mn2Co5O16,-6.5188407875,-1.8253112644,0.08782622,0.08782622,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176140,Li9Mn2Co5O16,-6.49446209,-1.8009325669,0.1122049175,0.1122049175,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176141,Li9Mn2Co5O16,-6.4928794887,-1.7993499657,0.1137875188,0.1137875188,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176143,Li9Mn2Co5O16,-6.5293552684,-1.8358257453,0.0773117391,0.0773117391,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176144,Li9Mn2Co5O16,-6.4821914525,-1.7886619294,0.124475555,0.124475555,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176145,Li9Mn2Co5O16,-6.4826195297,-1.7890900066,0.1240474778,0.1240474778,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176146,Li9Mn2Co5O16,-6.5139105781,-1.820381055,0.0927564294,0.0927564294,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176150,Li9Mn2Co5O16,-6.4831294803,-1.7895999572,0.1235375272,0.1235375272,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176151,Li9Mn2Co5O16,-6.5209191619,-1.8273896388,0.0857478456,0.0857478456,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176152,Li9Mn2Co5O16,-6.4751572134,-1.7816276903,0.1315097941,0.1315097941,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176153,Li9Mn2Co5O16,-6.4817178225,-1.7881882994,0.124949185,0.124949185,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176154,Li9Mn2Co5O16,-6.3737978625,-1.6802683394,0.232869145,0.232869145,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176155,Li9Mn2Co5O16,-6.5151408056,-1.8216112825,0.0915262019,0.0915262019,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176159,Li9Mn2Co5O16,-6.5023456187,-1.8088160957,0.1043213888,0.1043213888,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176160,Li9Mn2Co5O16,-6.5061232203,-1.8125936972,0.1005437872,0.1005437872,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176162,Li9Mn2Co5O16,-6.5111134341,-1.817583911,0.0955535734,0.0955535734,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176164,Li9Mn2Co5O16,-6.4829460116,-1.7894164885,0.1237209959,0.1237209959,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176169,Li9Mn2Co5O16,-6.5048560572,-1.8113265341,0.1018109503,0.1018109503,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176171,Li9Mn2Co5O16,-6.4866636109,-1.7931340878,0.1200033966,0.1200033966,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176172,Li9Mn2Co5O16,-6.4984507013,-1.8049211782,0.1082163063,0.1082163063,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176173,Li9Mn2Co5O16,-6.4116468475,-1.7181173244,0.19502016,0.19502016,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176174,Li9Mn2Co5O16,-6.3573829153,-1.6638533922,0.2492840922,0.2492840922,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176176,Li9Mn2Co5O16,-6.4832131428,-1.7896836197,0.1234538647,0.1234538647,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176178,Li9Mn2Co5O16,-6.4834885753,-1.7899590522,0.1231784322,0.1231784322,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176179,Li9Mn2Co5O16,-6.4923395872,-1.7988100641,0.1143274203,0.1143274203,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176181,Li9Mn2Co5O16,-6.4942867025,-1.8007571794,0.112380305,0.112380305,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176183,Li9Mn2Co5O16,-6.4832499984,-1.7897204753,0.1234170091,0.1234170091,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176186,Li9Mn2Co5O16,-6.34885087,-1.6553213469,0.2578161375,0.2578161375,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176187,Li9Mn2Co5O16,-6.4209037872,-1.7273742641,0.1857632203,0.1857632203,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176188,Li9Mn2Co5O16,-6.5184856316,-1.8249561085,0.0881813759,0.0881813759,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176189,Li9Mn2Co5O16,-6.5029752006,-1.8094456775,0.1036918069,0.1036918069,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176190,Li9Mn2Co5O16,-6.4681336038,-1.7746040807,0.1385334038,0.1385334038,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176192,Li9Mn2Co5O16,-6.4952911059,-1.8017615828,0.1113759016,0.1113759016,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176193,Li9Mn2Co5O16,-6.4958117825,-1.8022822594,0.110855225,0.110855225,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176194,Li9Mn2Co5O16,-6.4858163569,-1.7922868338,0.1208506506,0.1208506506,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176195,Li9Mn2Co5O16,-6.5025240716,-1.8089945485,0.1041429359,0.1041429359,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176196,Li9Mn2Co5O16,-6.4922817538,-1.7987522307,0.1143852538,0.1143852538,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176198,Li9Mn2Co5O16,-6.5060203481,-1.812490825,0.1006466594,0.1006466594,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176199,Li9Mn2Co5O16,-6.5141443156,-1.8206147925,0.0925226919,0.0925226919,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176200,Li9Mn2Co5O16,-6.5014966513,-1.8079671282,0.1051703563,0.1051703563,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176201,Li9Mn2Co5O16,-6.4776955206,-1.7841659975000002,0.1289714869,0.1289714869,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176202,Li9Mn2Co5O16,-6.4820396963,-1.7885101732000002,0.1246273113,0.1246273113,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176203,Li9Mn2Co5O16,-6.4819754847,-1.7884459616,0.1246915228,0.1246915228,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176205,Li9Mn2Co5O16,-6.5002551606,-1.8067256375,0.1064118469,0.1064118469,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176207,Li9Mn2Co5O16,-6.4783023753,-1.7847728522,0.1283646322,0.1283646322,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176210,Li9Mn2Co5O16,-6.4853456825,-1.7918161594000002,0.121321325,0.121321325,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176211,Li9Mn2Co5O16,-6.4774469606,-1.7839174375,0.1292200469,0.1292200469,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176212,Li9Mn2Co5O16,-6.5064117466,-1.8128822235,0.1002552609,0.1002552609,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176215,Li9Mn2Co5O16,-6.5055308759,-1.8120013528,0.1011361316,0.1011361316,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176216,Li9Mn2Co5O16,-6.4742224787,-1.7806929557000002,0.1324445288,0.1324445288,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176218,Li9Mn2Co5O16,-6.4782425209,-1.7847129978,0.1284244866,0.1284244866,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176219,Li9Mn2Co5O16,-6.4835895194,-1.7900599963,0.1230774881,0.1230774881,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176221,Li9Mn2Co5O16,-6.48983676,-1.7963072369000002,0.1168302475,0.1168302475,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176222,Li9Mn2Co5O16,-6.5097014375,-1.8161719144,0.09696557,0.09696557,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176223,Li9Mn2Co5O16,-6.5013434891,-1.807813966,0.1053235184,0.1053235184,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176224,Li9Mn2Co5O16,-6.5210546425,-1.8275251194,0.085612365,0.085612365,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176226,Li9Mn2Co5O16,-6.4821294216,-1.7885998985,0.1245375859,0.1245375859,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176227,Li9Mn2Co5O16,-6.4730190453,-1.7794895222,0.1336479622,0.1336479622,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176228,Li9Mn2Co5O16,-6.4773824866,-1.7838529635,0.1292845209,0.1292845209,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176229,Li9Mn2Co5O16,-6.5113041206,-1.8177745975,0.0953628869,0.0953628869,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176231,Li9Mn2Co5O16,-6.3427654906,-1.6492359675,0.2639015169,0.2639015169,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176232,Li9Mn2Co5O16,-6.5077096353,-1.8141801122,0.0989573722,0.0989573722,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176234,Li9Mn2Co5O16,-6.4436627166000005,-1.7501331935,0.1630042909,0.1630042909,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176235,Li9Mn2Co5O16,-6.5032994197,-1.8097698966,0.1033675878,0.1033675878,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176236,Li9Mn2Co5O16,-6.4991295244,-1.8056000013,0.1075374831,0.1075374831,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176237,Li9Mn2Co5O16,-6.3639632422,-1.6704337191,0.2427037653,0.2427037653,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176239,Li9Mn2Co5O16,-6.3439578294,-1.6504283063,0.2627091781,0.2627091781,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176243,Li9Mn2Co5O16,-6.49790046,-1.8043709369,0.1087665475,0.1087665475,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176244,Li9Mn2Co5O16,-6.4997390106,-1.8062094875,0.1069279969,0.1069279969,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176246,Li9Mn2Co5O16,-6.5052727344,-1.8117432113,0.1013942731,0.1013942731,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176247,Li9Mn2Co5O16,-6.5261705331,-1.83264101,0.0804964744,0.0804964744,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176248,Li9Mn2Co5O16,-6.4861020219,-1.7925724988,0.1205649856,0.1205649856,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176249,Li9Mn2Co5O16,-6.5197830728,-1.8262535497,0.0868839347,0.0868839347,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176250,Li9Mn2Co5O16,-6.4034919734,-1.7099624503,0.2031750341,0.2031750341,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176254,Li9Mn2Co5O16,-6.4770315284,-1.7835020053,0.1296354791,0.1296354791,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176256,Li9Mn2Co5O16,-6.4936324472,-1.8001029241,0.1130345603,0.1130345603,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176257,Li9Mn2Co5O16,-6.4818480328,-1.7883185097,0.1248189747,0.1248189747,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176262,Li9Mn2Co5O16,-6.4883734397,-1.7948439166,0.1182935678,0.1182935678,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176263,Li9Mn2Co5O16,-6.4132057722,-1.7196762491,0.1934612353,0.1934612353,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176270,Li9Mn2Co5O16,-6.4795416266,-1.7860121035,0.1271253809,0.1271253809,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176271,Li9Mn2Co5O16,-6.4924031422,-1.7988736191,0.1142638653,0.1142638653,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176274,Li9Mn2Co5O16,-6.4792550816,-1.7857255585,0.1274119259,0.1274119259,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176276,Li9Mn2Co5O16,-6.5010667775,-1.8075372544,0.10560023,0.10560023,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176279,Li9Mn2Co5O16,-6.4799090297,-1.7863795066,0.1267579778,0.1267579778,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176289,Li9Mn2Co5O16,-6.4770489194,-1.7835193963,0.1296180881,0.1296180881,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176290,Li9Mn2Co5O16,-6.5181622825000005,-1.8246327594,0.088504725,0.088504725,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176298,Li9Mn2Co5O16,-6.5059456963,-1.8124161732,0.1007213113,0.1007213113,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176301,Li9Mn2Co5O16,-6.4897830591,-1.796253536,0.1168839484,0.1168839484,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176311,Li9Mn2Co5O16,-6.3269995259,-1.6334700028,0.2796674816,0.2796674816,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176319,Li9Mn2Co5O16,-6.4967168838,-1.8031873607,0.1099501238,0.1099501238,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1232442,Li9Mn2Co5O16,-6.4891595347,-1.7956300116,0.1175074728,0.1175074728,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1344061,Li9Mn2Co5O16,-5.3430297669,-0.6495002438,1.2636372406,1.2636372406,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1341389,Li9Mn2Co5O16,-5.5090818769,-0.8155523538,1.0975851306,1.0975851306,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1343228,Li9Mn2Co5O16,-5.4084046534,-0.7148751303,1.1982623541,1.1982623541,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1372792,Li9Mn2Co5O16,-4.5537156678,0.1398138553,2.0529513397,2.0529513397,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1373337,Li9Mn2Co5O16,-5.5249403309,-0.8314108078,1.0817266766,1.0817266766,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1373887,Li9Mn2Co5O16,-5.3467159091,-0.653186386,1.2599510984,1.2599510984,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1378747,Li9Mn2Co5O16,-5.4019167853,-0.7083872622,1.2047502222,1.2047502222,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1375399,Li9Mn2Co5O16,-5.4958585544,-0.8023290313,1.1108084531,1.1108084531,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1375549,Li9Mn2Co5O16,-5.5969652809,-0.9034357578,1.0097017266,1.0097017266,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1372681,Li9Mn2Co5O16,-5.5069849181,-0.8134553950000001,1.0996820894,1.0996820894,GGA+U,P1,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_aP32_1_5a_9a_2a_16a:Co-Li-Mn-O +mp-1175386,Li9Mn2Co5O16,-6.5148952653,-1.8213657422,0.0917717422,0.0917717422,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175387,Li9Mn2Co5O16,-6.5354008691,-1.841871346,0.0712661384,0.0712661384,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175388,Li9Mn2Co5O16,-6.4838111216,-1.7902815985,0.1228558859,0.1228558859,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175391,Li9Mn2Co5O16,-6.5327042838,-1.8391747607,0.0739627238,0.0739627238,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175393,Li9Mn2Co5O16,-6.5448240791,-1.851294556,0.0618429284,0.0618429284,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_ce_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_d7i_ce_16i:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175397,Li9Mn2Co5O16,-6.4718304475,-1.7783009244,0.13483656,0.13483656,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bdf3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_bdf6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175403,Li9Mn2Co5O16,-6.5308673366,-1.8373378135,0.0757996709,0.0757996709,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cde3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_cde5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175404,Li9Mn2Co5O16,-6.3977431303,-1.7042136072,0.2089238772,0.2089238772,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_cf_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_e8i_cf_16i:Co-Li-Mn-O, expected Li17Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175406,Li9Mn2Co5O16,-6.5281088056000005,-1.8345792825,0.0785582019,0.0785582019,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_c8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175407,Li9Mn2Co5O16,-6.5292826006,-1.8357530775,0.0773844069,0.0773844069,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_d8i_i_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175408,Li9Mn2Co5O16,-6.5361550937,-1.8426255707,0.0705119138,0.0705119138,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cef3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_cef6i_i_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175411,Li9Mn2Co5O16,-6.5136150578,-1.8200855347,0.0930519497,0.0930519497,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_ef_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_c8i_ef_16i:Co-Li-Mn-O, expected Li17Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175417,Li9Mn2Co5O16,-6.5294117544,-1.8358822313,0.0772552531,0.0772552531,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_e7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175421,Li9Mn2Co5O16,-6.5326632459,-1.8391337228,0.0740037616,0.0740037616,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_e8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175422,Li9Mn2Co5O16,-6.5229388656000005,-1.8294093425,0.0837281419,0.0837281419,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175424,Li9Mn2Co5O16,-6.5340154184,-1.8404858953,0.0726515891,0.0726515891,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cef3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cef5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175425,Li9Mn2Co5O16,-6.5291854247,-1.8356559016,0.0774815828,0.0774815828,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cef3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cef5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175426,Li9Mn2Co5O16,-6.4703624178,-1.7768328947,0.1363045897,0.1363045897,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_d8i_i_15i:Co-Li-Mn-O, expected Li17Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175431,Li9Mn2Co5O16,-6.5453718941,-1.851842371,0.0612951134,0.0612951134,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cde3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_cde5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175432,Li9Mn2Co5O16,-6.5447169659,-1.8511874428,0.0619500416,0.0619500416,GGA+U,P-1,A5B9C2D16_aP32_2_acfi_bdegh2i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_acfi_bdegh4i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175438,Li9Mn2Co5O16,-6.5461796481,-1.852650125,0.0604873594,0.0604873594,GGA+U,P-1,A5B9C2D16_aP32_2_bcei_f4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_bce2i_f8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175441,Li9Mn2Co5O16,-6.5465095075,-1.8529799844,0.0601574999999999,0.0601574999999999,GGA+U,P-1,A5B9C2D16_aP32_2_bcei_f4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_bce2i_f7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175453,Li9Mn2Co5O16,-6.5470298553,-1.8535003322,0.0596371522,0.0596371522,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175454,Li9Mn2Co5O16,-6.5277768419,-1.8342473188,0.0788901656,0.0788901656,GGA+U,P-1,A5B9C2D16_aP32_2_bcei_f4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_bce2i_f8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175461,Li9Mn2Co5O16,-6.5358069172,-1.8422773941,0.0708600903,0.0708600903,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175470,Li9Mn2Co5O16,-6.5271294012,-1.8335998782,0.0795376063,0.0795376063,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bdegh2i_cf_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bdegh4i_cf_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175481,Li9Mn2Co5O16,-6.5252553569,-1.8317258338,0.0814116506,0.0814116506,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cde3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_cde5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175484,Li9Mn2Co5O16,-6.5337137003,-1.8401841772,0.0729533072,0.0729533072,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_d7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175489,Li9Mn2Co5O16,-6.5279193744,-1.8343898513,0.0787476331,0.0787476331,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_beh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175494,Li9Mn2Co5O16,-6.5427329522,-1.8492034291,0.0639340553,0.0639340553,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_ce_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_d7i_ce_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175501,Li9Mn2Co5O16,-6.4851273772,-1.7915978541,0.1215396303,0.1215396303,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_h4i_be_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_h7i_be_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175510,Li9Mn2Co5O16,-6.5289221731,-1.83539265,0.0777448344,0.0777448344,GGA+U,P-1,A5B9C2D16_aP32_2_abdi_cefgh2i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abd2i_cefgh4i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175518,Li9Mn2Co5O16,-6.5343770847,-1.8408475616,0.0722899228,0.0722899228,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_cf_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_e7i_cf_16i:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175526,Li9Mn2Co5O16,-6.5303372159,-1.8368076928,0.0763297916,0.0763297916,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cef3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cef6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175530,Li9Mn2Co5O16,-6.5262537325,-1.8327242094,0.080413275,0.080413275,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175531,Li9Mn2Co5O16,-6.5041260284,-1.8105965053,0.1025409791,0.1025409791,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175532,Li9Mn2Co5O16,-6.5242925706,-1.8307630475,0.0823744369,0.0823744369,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175533,Li9Mn2Co5O16,-6.5274864962,-1.8339569732,0.0791805113,0.0791805113,GGA+U,P-1,A5B9C2D16_aP32_2_abci_g4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abc2i_g8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175534,Li9Mn2Co5O16,-6.5016033684,-1.8080738453,0.1050636391,0.1050636391,GGA+U,P-1,A5B9C2D16_aP32_2_abcdg_h4i_ef_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abcdg_h7i_ef_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175535,Li9Mn2Co5O16,-6.4875401906,-1.7940106675,0.1191268169,0.1191268169,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175537,Li9Mn2Co5O16,-6.4717732681,-1.7782437450000002,0.1348937394,0.1348937394,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cef3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cef6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175544,Li9Mn2Co5O16,-6.5230343931,-1.82950487,0.0836326144,0.0836326144,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175550,Li9Mn2Co5O16,-6.5082746816,-1.8147451585,0.0983923259,0.0983923259,GGA+U,P-1,A5B9C2D16_aP32_2_abcdh_g4i_ef_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abcdh_g7i_ef_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175553,Li9Mn2Co5O16,-6.5235821337,-1.8300526107,0.0830848738,0.0830848738,GGA+U,P-1,A5B9C2D16_aP32_2_abci_g4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abc2i_g8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175554,Li9Mn2Co5O16,-6.5176192166,-1.8240896935,0.0890477909,0.0890477909,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_cg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_b6i_cg_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175561,Li9Mn2Co5O16,-6.5228036931,-1.82927417,0.0838633144,0.0838633144,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175563,Li9Mn2Co5O16,-6.5175499069,-1.8240203838,0.0891171006,0.0891171006,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_h4i_cf_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_h8i_cf_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175566,Li9Mn2Co5O16,-6.5359148047,-1.8423852816,0.0707522028,0.0707522028,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175570,Li9Mn2Co5O16,-6.5293619891,-1.835832466,0.0773050184,0.0773050184,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175573,Li9Mn2Co5O16,-6.4928961406,-1.7993666175,0.1137708669,0.1137708669,GGA+U,P-1,A5B9C2D16_aP32_2_acfi_h4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_acfi_h7i_i_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175575,Li9Mn2Co5O16,-6.5295914069,-1.8360618838,0.0770756006,0.0770756006,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_cg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_b8i_cg_16i:Co-Li-Mn-O, expected Li17Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175576,Li9Mn2Co5O16,-6.5344488181,-1.840919295,0.0722181894,0.0722181894,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175580,Li9Mn2Co5O16,-6.5324950772,-1.8389655541,0.0741719303,0.0741719303,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcefg2i_dh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_bcefg4i_dh_16i:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175591,Li9Mn2Co5O16,-6.5275123469,-1.8339828238,0.0791546606,0.0791546606,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcegh2i_df_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_bcegh4i_df_16i:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175595,Li9Mn2Co5O16,-6.5155310106,-1.8220014875,0.0911359969,0.0911359969,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175598,Li9Mn2Co5O16,-6.5206856903,-1.8271561672,0.0859813172,0.0859813172,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_g4i_bc_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_g8i_bc_16i:Co-Li-Mn-O, expected Li17Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175600,Li9Mn2Co5O16,-6.5065827956,-1.8130532725,0.1000842119,0.1000842119,GGA+U,P-1,A5B9C2D16_aP32_2_abceh_g4i_df_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abceh_g7i_df_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175601,Li9Mn2Co5O16,-6.5300215797,-1.8364920566,0.0766454278,0.0766454278,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_defgh2i_bc_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_defgh4i_bc_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175603,Li9Mn2Co5O16,-6.5286858966,-1.8351563735,0.0779811109,0.0779811109,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175607,Li9Mn2Co5O16,-6.5237565447,-1.8302270216,0.0829104628,0.0829104628,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_h4i_cf_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_h6i_cf_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175611,Li9Mn2Co5O16,-6.5496287369,-1.8560992138,0.0570382706,0.0570382706,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175612,Li9Mn2Co5O16,-6.5272335728,-1.8337040497,0.0794334347,0.0794334347,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_beh6i_i_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175614,Li9Mn2Co5O16,-6.4707107044,-1.7771811813,0.1359563031,0.1359563031,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175624,Li9Mn2Co5O16,-6.53186113,-1.8383316069,0.0748058775,0.0748058775,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_ef_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_ef_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175628,Li9Mn2Co5O16,-6.5450658469,-1.8515363238,0.0616011606,0.0616011606,GGA+U,P-1,A5B9C2D16_aP32_2_abci_g4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abci_g8i_i_15i:Co-Li-Mn-O, expected Li17Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175629,Li9Mn2Co5O16,-6.5107129562,-1.8171834332,0.0959540513,0.0959540513,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_c8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175633,Li9Mn2Co5O16,-6.5212660578,-1.8277365347,0.0854009497,0.0854009497,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_d7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175638,Li9Mn2Co5O16,-6.4733011887,-1.7797716657,0.1333658188,0.1333658188,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_beh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175639,Li9Mn2Co5O16,-6.4817872656,-1.7882577425,0.1248797419,0.1248797419,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175640,Li9Mn2Co5O16,-6.5183922069,-1.8248626838,0.0882748006,0.0882748006,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_f4i_ch_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_f8i_ch_15i:Co-Li-Mn-O, expected Li17Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175641,Li9Mn2Co5O16,-6.4489136516,-1.7553841285,0.1577533559,0.1577533559,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_b7i_i_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175643,Li9Mn2Co5O16,-6.4777026484,-1.7841731253000002,0.1289643591,0.1289643591,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_b7i_i_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175652,Li9Mn2Co5O16,-6.4940721341,-1.800542611,0.1125948734,0.1125948734,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175655,Li9Mn2Co5O16,-6.5033825038,-1.8098529807,0.1032845038,0.1032845038,GGA+U,P-1,A5B9C2D16_aP32_2_acfi_h4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_acf2i_h7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175657,Li9Mn2Co5O16,-6.4835361478,-1.7900066247000002,0.1231308597,0.1231308597,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_d8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175660,Li9Mn2Co5O16,-6.5077455994,-1.8142160763,0.0989214081,0.0989214081,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_f4i_ce_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_f8i_ce_16i:Co-Li-Mn-O, expected Li17Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175664,Li9Mn2Co5O16,-6.5319253903,-1.8383958672,0.0747416172,0.0747416172,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_e7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175666,Li9Mn2Co5O16,-6.5069251594,-1.8133956363,0.0997418481,0.0997418481,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175668,Li9Mn2Co5O16,-6.4883385706,-1.7948090475,0.1183284369,0.1183284369,GGA+U,P-1,A5B9C2D16_aP32_2_abcdg_e4i_fh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abceh_d7i_fg_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175671,Li9Mn2Co5O16,-6.4896923597,-1.7961628366,0.1169746478,0.1169746478,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175673,Li9Mn2Co5O16,-6.4727321291,-1.779202606,0.1339348784,0.1339348784,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_h4i_cd_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_h7i_cd_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175674,Li9Mn2Co5O16,-6.5115380888,-1.8180085657,0.0951289188,0.0951289188,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175676,Li9Mn2Co5O16,-6.5098428647,-1.8163133416,0.0968241428,0.0968241428,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_fh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c8i_fh_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175677,Li9Mn2Co5O16,-6.4852206713000005,-1.7916911482,0.1214463362,0.1214463362,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_bg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c7i_bg_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175680,Li9Mn2Co5O16,-6.4134632569,-1.7199337338,0.1932037506,0.1932037506,GGA+U,P-1,A5B9C2D16_aP32_2_abci_g4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abc2i_g7i_i_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175681,Li9Mn2Co5O16,-6.5134926306,-1.8199631075,0.0931743769,0.0931743769,GGA+U,P-1,A5B9C2D16_aP32_2_acdi_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_acdi_e8i_i_15i:Co-Li-Mn-O, expected Li17Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175683,Li9Mn2Co5O16,-6.5082584709,-1.8147289478,0.0984085366,0.0984085366,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175686,Li9Mn2Co5O16,-6.4805588916,-1.7870293685,0.1261081159,0.1261081159,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_e6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175687,Li9Mn2Co5O16,-6.5152777275,-1.8217482044,0.09138928,0.09138928,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcdeg2i_fh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcdeg4i_fh_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175694,Li9Mn2Co5O16,-6.5242277962,-1.8306982732,0.0824392113,0.0824392113,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_bg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c6i_bg_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175695,Li9Mn2Co5O16,-6.3706154853,-1.6770859622,0.2360515222,0.2360515222,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175698,Li9Mn2Co5O16,-6.4913146444,-1.7977851213,0.1153523631,0.1153523631,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_bg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c7i_bg_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175699,Li9Mn2Co5O16,-6.4816477569,-1.7881182338,0.1250192506,0.1250192506,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175704,Li9Mn2Co5O16,-6.4923505859,-1.7988210628,0.1143164216,0.1143164216,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_d8i_i_15i:Co-Li-Mn-O, expected Li17Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175706,Li9Mn2Co5O16,-6.4961787675,-1.8026492444,0.11048824,0.11048824,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_dh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_dh_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175707,Li9Mn2Co5O16,-6.530137805,-1.8366082819,0.0765292025,0.0765292025,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_d8i_i_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175713,Li9Mn2Co5O16,-6.5041492819,-1.8106197588,0.1025177256,0.1025177256,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_d7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175717,Li9Mn2Co5O16,-6.4766055,-1.7830759769000002,0.1300615075,0.1300615075,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175718,Li9Mn2Co5O16,-6.4911950947,-1.7976655716,0.1154719128,0.1154719128,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_d7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175720,Li9Mn2Co5O16,-6.5106783684,-1.8171488453,0.0959886391,0.0959886391,GGA+U,P-1,A5B9C2D16_aP32_2_abcfh_g4i_de_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abcfh_g7i_de_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175721,Li9Mn2Co5O16,-6.510849335,-1.8173198119,0.0958176725,0.0958176725,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175726,Li9Mn2Co5O16,-6.4822916063000005,-1.7887620832,0.1243754013,0.1243754013,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175731,Li9Mn2Co5O16,-6.4984827781,-1.804953255,0.1081842294,0.1081842294,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_fh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c6i_fh_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175732,Li9Mn2Co5O16,-6.541728265,-1.8481987419,0.0649387425,0.0649387425,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_b6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175733,Li9Mn2Co5O16,-6.4729130056,-1.7793834825,0.1337540019,0.1337540019,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c6i_i_15i:Co-Li-Mn-O, expected Li13Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175735,Li9Mn2Co5O16,-6.4231453762,-1.7296158532,0.1835216313,0.1835216313,GGA+U,P-1,A5B9C2D16_aP32_2_acdi_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_acd2i_e8i_i_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175741,Li9Mn2Co5O16,-6.4945119547,-1.8009824316,0.1121550528,0.1121550528,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_beh6i_i_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175744,Li9Mn2Co5O16,-6.4956867397,-1.8021572166,0.1109802678,0.1109802678,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_ch_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b2i_d7i_ch_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175745,Li9Mn2Co5O16,-6.50944347,-1.8159139469,0.0972235375,0.0972235375,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_bcg5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175747,Li9Mn2Co5O16,-6.4858573387,-1.7923278157,0.1208096688,0.1208096688,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_cdh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_cdh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175749,Li9Mn2Co5O16,-6.5179797425,-1.8244502194,0.088687265,0.088687265,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_f4i_ce_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_f7i_ce_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175759,Li9Mn2Co5O16,-6.5033525872,-1.8098230641,0.1033144203,0.1033144203,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_beh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175763,Li9Mn2Co5O16,-6.4702951956,-1.7767656725,0.1363718119,0.1363718119,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c6i_i_15i:Co-Li-Mn-O, expected Li13Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175770,Li9Mn2Co5O16,-6.4809091928,-1.7873796697,0.1257578147,0.1257578147,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175777,Li9Mn2Co5O16,-6.5099816188,-1.8164520957,0.0966853888,0.0966853888,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175789,Li9Mn2Co5O16,-6.4801852262,-1.7866557032,0.1264817813,0.1264817813,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_e6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175799,Li9Mn2Co5O16,-6.4693808388,-1.7758513157,0.1372861688,0.1372861688,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175801,Li9Mn2Co5O16,-6.5190153019,-1.8254857788,0.0876517056,0.0876517056,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cde3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_cde5i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175802,Li9Mn2Co5O16,-6.4851257506,-1.7915962275,0.1215412569,0.1215412569,GGA+U,P-1,A5B9C2D16_aP32_2_abci_g4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abc2i_g8i_i_15i:Co-Li-Mn-O, expected Li17Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175811,Li9Mn2Co5O16,-6.4834337991,-1.789904276,0.1232332084,0.1232332084,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_e7i_i_15i:Co-Li-Mn-O, expected Li15Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1175834,Li9Mn2Co5O16,-6.5092689697,-1.8157394466,0.0973980378,0.0973980378,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cdefh2i_bg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_cdefh4i_bg_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175835,Li9Mn2Co5O16,-6.4857595462,-1.7922300232,0.1209074613,0.1209074613,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_e7i_i_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175836,Li9Mn2Co5O16,-6.5271102409,-1.8335807178,0.0795567666,0.0795567666,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_beh3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_beh6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175843,Li9Mn2Co5O16,-6.5013468791,-1.807817356,0.1053201284,0.1053201284,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_cg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_b7i_cg_16i:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175854,Li9Mn2Co5O16,-6.4711273866,-1.7775978635,0.1355396209,0.1355396209,GGA+U,P-1,A5B9C2D16_aP32_2_abei_h4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abe2i_h6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175856,Li9Mn2Co5O16,-6.4725758847,-1.7790463616,0.1340911228,0.1340911228,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_b4i_eh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_b7i_eh_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175857,Li9Mn2Co5O16,-6.4744155631,-1.78088604,0.1322514444,0.1322514444,GGA+U,P-1,A5B9C2D16_aP32_2_bcdi_h4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_bcd2i_h8i_i_16i:Co-Li-Mn-O, expected Li17Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175866,Li9Mn2Co5O16,-6.4988370763,-1.8053075532,0.1078299313,0.1078299313,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_e4i_bh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_e7i_bh_15i:Co-Li-Mn-O, expected Li15Mn2(Co3O10)3 to be Li9Mn2Co5O16" +mp-1175868,Li9Mn2Co5O16,-6.5086722759,-1.8151427528,0.0979947316,0.0979947316,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_e6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175912,Li9Mn2Co5O16,-6.5023157209,-1.8087861978,0.1043512866,0.1043512866,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b3i_e6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175941,Li9Mn2Co5O16,-6.4997196409,-1.8061901178,0.1069473666,0.1069473666,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_cde3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_cde6i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1232429,Li9Mn2Co5O16,-6.5473710584,-1.8538415353,0.0592959491,0.0592959491,GGA+U,P-1,A5B9C2D16_aP32_2_abei_h4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abe2i_h6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1341790,Li9Mn2Co5O16,-5.5164564431,-0.82292692,1.0902105644,1.0902105644,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_bcefg2i_dh_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a2i_bcefg4i_dh_16i:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1375814,Li9Mn2Co5O16,-5.4285571588,-0.7350276357000001,1.1781098488,1.1781098488,GGA+U,P-1,A5B9C2D16_aP32_2_b2i_e4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_b4i_e7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1372518,Li9Mn2Co5O16,-5.1903838147,-0.4968542916,1.4162831928,1.4162831928,GGA+U,P-1,A5B9C2D16_aP32_2_abceh_d4i_fg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_abcdg_e7i_fh_15i:Co-Li-Mn-O, expected Li15Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1370648,Li9Mn2Co5O16,-5.4160923447,-0.7225628216000001,1.1905746628,1.1905746628,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1369691,Li9Mn2Co5O16,-5.5296435609,-0.8361140378,1.0770234466,1.0770234466,GGA+U,P-1,A5B9C2D16_aP32_2_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1378924,Li9Mn2Co5O16,-5.5090520009,-0.8155224778,1.0976150066,1.0976150066,GGA+U,P-1,A5B9C2D16_aP32_2_adgi_bcefh2i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_aP32_2_adg2i_bcefh4i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175684,Li9Mn2Co5O16,-6.5583107141,-1.864781191,0.0483562934,0.0483562934,GGA+U,P2,A5B9C2D16_mP32_3_2bc2d_a4e_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_a2c2d_b7e_ab_16e:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175898,Li9Mn2Co5O16,-6.4959059284,-1.8023764053,0.1107610791,0.1107610791,GGA+U,P2,A5B9C2D16_mP32_3_abc2d_c4e_ab_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_abc2d_a7e_bc_16e:Co-Li-Mn-O, expected Li15Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176240,Li9Mn2Co5O16,-6.5286573184,-1.8351277953,0.0780096891,0.0780096891,GGA+U,P2,A5B9C2D16_mP32_3_a2de_a2b2c2e_e_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_a2ce_a2b2d2e_e_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176260,Li9Mn2Co5O16,-6.4915021906,-1.7979726675,0.1151648169,0.1151648169,GGA+U,P2,A5B9C2D16_mP32_3_a2c2d_b4e_ab_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2ab2d_c4e_bc_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176273,Li9Mn2Co5O16,-6.5224548888000005,-1.8289253657,0.0842121188,0.0842121188,GGA+U,P2,A5B9C2D16_mP32_3_2a3b_b4c4d_2a_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3d_4b4cd_2a_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176278,Li9Mn2Co5O16,-6.5021857944,-1.8086562713,0.1044812131,0.1044812131,GGA+U,P2,A5B9C2D16_mP32_3_2a3c_a4b4d_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3c_a4b4d_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176280,Li9Mn2Co5O16,-6.5513769819,-1.8578474588,0.0552900256,0.0552900256,GGA+U,P2,A5B9C2D16_mP32_3_2a3c_a4b4d_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3c_a4b4d_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176288,Li9Mn2Co5O16,-6.4859122313,-1.7923827082,0.1207547763,0.1207547763,GGA+U,P2,A5B9C2D16_mP32_3_2a3b_a4c4d_ab_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3d_a4b4c_ad_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176292,Li9Mn2Co5O16,-6.5350930616,-1.8415635385,0.0715739459,0.0715739459,GGA+U,P2,A5B9C2D16_mP32_3_a2de_a2b2c2e_e_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_a2c2e_a2b2d4e_e_15e:Co-Li-Mn-O, expected Li13Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1176295,Li9Mn2Co5O16,-6.5290806809,-1.8355511578,0.0775863266,0.0775863266,GGA+U,P2,A5B9C2D16_mP32_3_abc2d_b4e_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_abc2d_c4e_ab_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176299,Li9Mn2Co5O16,-6.5218301469,-1.8283006238,0.0848368606,0.0848368606,GGA+U,P2,A5B9C2D16_mP32_3_abc2d_a4e_bc_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_abc2d_b4e_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176302,Li9Mn2Co5O16,-6.5131054706,-1.8195759475,0.0935615369,0.0935615369,GGA+U,P2,A5B9C2D16_mP32_3_2a3c_a4b4d_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3c_a4b4d_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176305,Li9Mn2Co5O16,-6.5236710362,-1.8301415132,0.0829959713,0.0829959713,GGA+U,P2,A5B9C2D16_mP32_3_abc2d_b4e_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_abc2d_c4e_ab_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176313,Li9Mn2Co5O16,-6.5093440569,-1.8158145338,0.0973229506,0.0973229506,GGA+U,P2,A5B9C2D16_mP32_3_a4c_a4b4d_2a_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_a4c_a4b4d_2a_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176315,Li9Mn2Co5O16,-6.5111218016,-1.8175922785,0.0955452059,0.0955452059,GGA+U,P2,A5B9C2D16_mP32_3_2a3c_a4b4d_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3c_a4b4d_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176320,Li9Mn2Co5O16,-6.5292497022,-1.8357201791,0.0774173053,0.0774173053,GGA+U,P2,A5B9C2D16_mP32_3_2a3c_a4b4d_ac_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3c_a4b4d_ac_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1232437,Li9Mn2Co5O16,-6.5332159381,-1.839686415,0.0734510694,0.0734510694,GGA+U,P2,A5B9C2D16_mP32_3_2a3b_b4c4d_2a_8e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_3_2a3d_4b4cd_2a_16e:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175632,Li9Mn2Co5O16,-6.5183129331,-1.82478341,0.0883540744,0.0883540744,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a4b2c_2a_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a2c_a4b2c_2a_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175635,Li9Mn2Co5O16,-6.5263496137,-1.8328200907,0.0803173938,0.0803173938,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a4b2c_2a_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a4c_a4b4c_2a_16c:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175642,Li9Mn2Co5O16,-6.5580284197,-1.8644988966,0.0486385878,0.0486385878,GGA+U,C2,A5B9C2D16_mC64_5_a2c_b4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a2c_b6c_ab_16c:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175644,Li9Mn2Co5O16,-6.5374929166,-1.8439633935,0.0691740909,0.0691740909,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175647,Li9Mn2Co5O16,-6.5376616456,-1.8441321225,0.0690053619,0.0690053619,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_b4c_2a_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_b4c_2a_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175650,Li9Mn2Co5O16,-6.5308705069,-1.8373409838,0.0757965006,0.0757965006,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175651,Li9Mn2Co5O16,-6.534639915,-1.8411103919,0.0720270925,0.0720270925,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a2b3c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a3c_a2b5c_c_16c:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175654,Li9Mn2Co5O16,-6.5306615628,-1.8371320397,0.0760054447,0.0760054447,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175656,Li9Mn2Co5O16,-6.5023582469,-1.8088287238,0.1043087606,0.1043087606,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175658,Li9Mn2Co5O16,-6.5243173475,-1.8307878244,0.08234966,0.08234966,GGA+U,C2,A5B9C2D16_mC64_5_a2c_b4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a2c_b5c_ab_15c:Co-Li-Mn-O, expected Li11Mn2(CoO6)5 to be Li9Mn2Co5O16" +mp-1175662,Li9Mn2Co5O16,-6.5007698766,-1.8072403535,0.1058971309,0.1058971309,GGA+U,C2,A5B9C2D16_mC64_5_a4b_a4c_2a_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a4b_a4c_2a_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175667,Li9Mn2Co5O16,-6.5107750422,-1.8172455191,0.0958919653,0.0958919653,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175672,Li9Mn2Co5O16,-6.5413424341,-1.847812911,0.0653245734,0.0653245734,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_b4c_2a_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_b4c_2a_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175696,Li9Mn2Co5O16,-6.4602620603,-1.7667325372,0.1464049472,0.1464049472,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a2b3c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a3c_a2b5c_c_16c:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175716,Li9Mn2Co5O16,-6.5328917578,-1.8393622347,0.0737752497,0.0737752497,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a2b3c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a4c_a2b6c_c_16c:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1175743,Li9Mn2Co5O16,-6.5382698797,-1.8447403566,0.0683971278,0.0683971278,GGA+U,C2,A5B9C2D16_mC64_5_a2bc_a4c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a2b2c_a6c_c_16c:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175748,Li9Mn2Co5O16,-6.5327171231,-1.8391876,0.0739498844,0.0739498844,GGA+U,C2,A5B9C2D16_mC64_5_a2c_a2b3c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a3c_a2b6c_c_16c:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175755,Li9Mn2Co5O16,-6.5341963234,-1.8406668003,0.0724706841,0.0724706841,GGA+U,C2,A5B9C2D16_mC64_5_2a3b_a4c_ab_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_2a3b_a4c_ab_16c:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1175757,Li9Mn2Co5O16,-6.5355794288,-1.8420499057,0.0710875788,0.0710875788,GGA+U,C2,A5B9C2D16_mC64_5_3ac_a4b2c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_3a2c_a4b4c_c_16c:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175780,Li9Mn2Co5O16,-6.5289427372,-1.8354132141,0.0777242703,0.0777242703,GGA+U,C2,A5B9C2D16_mC64_5_a2bc_a4c_c_8c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_5_a2b2c_a7c_c_16c:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100560,Li9Mn2Co5O16,-6.468437615,-1.7749080919,0.1382293925,0.1382293925,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100561,Li9Mn2Co5O16,-6.4831934784000005,-1.7896639553,0.1234735291,0.1234735291,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100563,Li9Mn2Co5O16,-6.4717997503,-1.7782702272000002,0.1348672572,0.1348672572,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100564,Li9Mn2Co5O16,-6.3517006244,-1.6581711013,0.2549663831,0.2549663831,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100565,Li9Mn2Co5O16,-6.4841524403,-1.7906229172,0.1225145672,0.1225145672,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100566,Li9Mn2Co5O16,-6.4859719072,-1.7924423841,0.1206951003,0.1206951003,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100567,Li9Mn2Co5O16,-6.4609162722,-1.7673867491,0.1457507353,0.1457507353,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100568,Li9Mn2Co5O16,-6.4496170253,-1.7560875022,0.1570499822,0.1570499822,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100569,Li9Mn2Co5O16,-6.4879912922,-1.7944617691,0.1186757153,0.1186757153,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100570,Li9Mn2Co5O16,-6.5034411809,-1.8099116578,0.1032258266,0.1032258266,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100571,Li9Mn2Co5O16,-6.4962601994,-1.8027306763,0.1104068081,0.1104068081,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100572,Li9Mn2Co5O16,-6.494563255,-1.8010337319,0.1121037525,0.1121037525,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100573,Li9Mn2Co5O16,-6.4754703981,-1.781940875,0.1311966094,0.1311966094,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100574,Li9Mn2Co5O16,-6.5006743991,-1.807144876,0.1059926084,0.1059926084,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100575,Li9Mn2Co5O16,-6.4920955247,-1.7985660016,0.1145714828,0.1145714828,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100576,Li9Mn2Co5O16,-6.5004204756,-1.8068909525,0.1062465319,0.1062465319,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100577,Li9Mn2Co5O16,-6.4812505869,-1.7877210638,0.1254164206,0.1254164206,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100578,Li9Mn2Co5O16,-6.4672164431,-1.77368692,0.1394505644,0.1394505644,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100579,Li9Mn2Co5O16,-6.4875462437,-1.7940167207000002,0.1191207638,0.1191207638,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100582,Li9Mn2Co5O16,-6.4996712091,-1.806141686,0.1069957984,0.1069957984,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100583,Li9Mn2Co5O16,-6.4991706025,-1.8056410794,0.107496405,0.107496405,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100584,Li9Mn2Co5O16,-6.4764015016,-1.7828719785,0.1302655059,0.1302655059,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100585,Li9Mn2Co5O16,-6.4780333691,-1.784503846,0.1286336384,0.1286336384,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100586,Li9Mn2Co5O16,-6.5025829834,-1.8090534603,0.1040840241,0.1040840241,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100587,Li9Mn2Co5O16,-6.4831473059,-1.7896177828000002,0.1235197016,0.1235197016,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100588,Li9Mn2Co5O16,-6.4962195094,-1.8026899863,0.1104474981,0.1104474981,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100589,Li9Mn2Co5O16,-6.4775861531,-1.78405663,0.1290808544,0.1290808544,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100590,Li9Mn2Co5O16,-6.5040852947,-1.8105557716,0.1025817128,0.1025817128,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100591,Li9Mn2Co5O16,-6.4757080322,-1.7821785091,0.1309589753,0.1309589753,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100592,Li9Mn2Co5O16,-6.5263094522,-1.8327799291,0.0803575553,0.0803575553,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100593,Li9Mn2Co5O16,-6.5027685294,-1.8092390063,0.1038984781,0.1038984781,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100594,Li9Mn2Co5O16,-6.496083595,-1.8025540719,0.1105834125,0.1105834125,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100595,Li9Mn2Co5O16,-6.5110139347,-1.8174844116,0.0956530728,0.0956530728,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100596,Li9Mn2Co5O16,-6.5211328075,-1.8276032844,0.0855341999999999,0.0855341999999999,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100597,Li9Mn2Co5O16,-6.4793001891,-1.785770666,0.1273668184,0.1273668184,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100598,Li9Mn2Co5O16,-6.4981389031,-1.80460938,0.1085281044,0.1085281044,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100599,Li9Mn2Co5O16,-6.4584538459,-1.7649243228,0.1482131616,0.1482131616,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100600,Li9Mn2Co5O16,-6.4855716584,-1.7920421353,0.1210953491,0.1210953491,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100601,Li9Mn2Co5O16,-6.4063406691,-1.712811146,0.2003263384,0.2003263384,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100602,Li9Mn2Co5O16,-6.3840752278,-1.6905457047,0.2225917797,0.2225917797,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100603,Li9Mn2Co5O16,-6.4937570744,-1.8002275513,0.1129099331,0.1129099331,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100604,Li9Mn2Co5O16,-6.5136840291,-1.820154506,0.0929829784,0.0929829784,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100605,Li9Mn2Co5O16,-6.5194734647,-1.8259439416,0.0871935428,0.0871935428,GGA+U,Pm,A5B9C2D16_mP32_6_2abc_2a3b2c_c_4a4b4c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_6_2ab2c_2a3b4c_c_4a4b8c:Co-Li-Mn-O, expected Li13Mn2Co7O24 to be Li9Mn2Co5O16" +mp-1100606,Li9Mn2Co5O16,-6.52069129,-1.8271617669,0.0859757175,0.0859757175,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100607,Li9Mn2Co5O16,-6.4984903903,-1.8049608672,0.1081766172,0.1081766172,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100608,Li9Mn2Co5O16,-6.4962699834,-1.8027404603,0.1103970241,0.1103970241,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100609,Li9Mn2Co5O16,-6.5119174237,-1.8183879007,0.0947495838,0.0947495838,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_4a5b_2a_8a8b:Co-Li-Mn-O +mp-1100610,Li9Mn2Co5O16,-6.4958109422,-1.8022814191,0.1108560653,0.1108560653,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100611,Li9Mn2Co5O16,-6.4983738963,-1.8048443732,0.1082931113,0.1082931113,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100612,Li9Mn2Co5O16,-6.5081310784,-1.8146015553,0.0985359291,0.0985359291,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100613,Li9Mn2Co5O16,-6.5197452034,-1.8262156803,0.0869218041,0.0869218041,GGA+U,Pm,A5B9C2D16_mP32_6_2abc_2a3b2c_c_4a4b4c:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_6_2ab2c_2a3b4c_c_4a4b8c:Co-Li-Mn-O, expected Li13Mn2Co7O24 to be Li9Mn2Co5O16" +mp-1100648,Li9Mn2Co5O16,-6.4880428288,-1.7945133057,0.1186241788,0.1186241788,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100754,Li9Mn2Co5O16,-6.4874576878,-1.7939281647,0.1192093197,0.1192093197,GGA+U,Pm,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_a4b_5a4b_2a_8a8b:Co-Li-Mn-O +mp-1100761,Li9Mn2Co5O16,-6.4660215169,-1.7724919938,0.1406454906,0.1406454906,GGA+U,Pm,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O,32.0,A5B9C2D16_mP32_6_2a3b_5a4b_ab_8a8b:Co-Li-Mn-O +mp-1100614,Li9Mn2Co5O16,-6.4895083766,-1.7959788535,0.1171586309,0.1171586309,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100615,Li9Mn2Co5O16,-6.4922138875,-1.7986843644,0.11445312,0.11445312,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100616,Li9Mn2Co5O16,-6.3598940322,-1.6663645091,0.2467729753,0.2467729753,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100617,Li9Mn2Co5O16,-6.4950055191,-1.801475996,0.1116614884,0.1116614884,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100618,Li9Mn2Co5O16,-6.4845333637,-1.7910038407000002,0.1221336438,0.1221336438,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100619,Li9Mn2Co5O16,-6.4547272134,-1.7611976903,0.1519397941,0.1519397941,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100620,Li9Mn2Co5O16,-6.4727893675,-1.7792598444,0.13387764,0.13387764,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100621,Li9Mn2Co5O16,-6.4925003681,-1.798970845,0.1141666394,0.1141666394,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100622,Li9Mn2Co5O16,-6.4715808847,-1.7780513616,0.1350861228,0.1350861228,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100623,Li9Mn2Co5O16,-6.5013787138,-1.8078491907,0.1052882938,0.1052882938,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100624,Li9Mn2Co5O16,-6.4793476653,-1.7858181422,0.1273193422,0.1273193422,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100625,Li9Mn2Co5O16,-6.4914562716,-1.7979267485,0.1152107359,0.1152107359,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100626,Li9Mn2Co5O16,-6.5026077887,-1.8090782657,0.1040592188,0.1040592188,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100627,Li9Mn2Co5O16,-6.4867830344,-1.7932535113,0.1198839731,0.1198839731,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100628,Li9Mn2Co5O16,-6.473696115,-1.7801665919,0.1329708925,0.1329708925,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100629,Li9Mn2Co5O16,-6.4300862378,-1.7365567147,0.1765807697,0.1765807697,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100630,Li9Mn2Co5O16,-6.4213294578,-1.7277999347000002,0.1853375497,0.1853375497,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100631,Li9Mn2Co5O16,-6.4004690044,-1.7069394813,0.2061980031,0.2061980031,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100632,Li9Mn2Co5O16,-6.4833408791,-1.789811356,0.1233261284,0.1233261284,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100633,Li9Mn2Co5O16,-6.4987199503,-1.8051904272,0.1079470572,0.1079470572,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100634,Li9Mn2Co5O16,-6.4744889544,-1.7809594313,0.1321780531,0.1321780531,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100635,Li9Mn2Co5O16,-6.3520744922,-1.6585449691,0.2545925153,0.2545925153,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100636,Li9Mn2Co5O16,-6.5026526972,-1.8091231741,0.1040143103,0.1040143103,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100637,Li9Mn2Co5O16,-6.4776547359,-1.7841252128,0.1290122716,0.1290122716,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100638,Li9Mn2Co5O16,-6.4024456062,-1.7089160832,0.2042214013,0.2042214013,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100639,Li9Mn2Co5O16,-6.3934900781,-1.699960555,0.2131769294,0.2131769294,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100640,Li9Mn2Co5O16,-6.3870608397,-1.6935313166,0.2196061678,0.2196061678,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100641,Li9Mn2Co5O16,-6.3915755966,-1.6980460735,0.2150914109,0.2150914109,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100642,Li9Mn2Co5O16,-6.5074807094,-1.8139511863,0.0991862981,0.0991862981,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100643,Li9Mn2Co5O16,-6.4984477872,-1.8049182641,0.1082192203,0.1082192203,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100644,Li9Mn2Co5O16,-6.5062234688,-1.8126939457,0.1004435388,0.1004435388,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100645,Li9Mn2Co5O16,-6.4991890878,-1.8056595647,0.1074779197,0.1074779197,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100646,Li9Mn2Co5O16,-6.49645656,-1.8029270369,0.1102104475,0.1102104475,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100647,Li9Mn2Co5O16,-6.4971288247,-1.8035993016,0.1095381828,0.1095381828,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100649,Li9Mn2Co5O16,-6.4832416841,-1.7897121610000002,0.1234253234,0.1234253234,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100650,Li9Mn2Co5O16,-6.4791739631,-1.78564444,0.1274930444,0.1274930444,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100651,Li9Mn2Co5O16,-6.5016675775,-1.8081380544,0.10499943,0.10499943,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100652,Li9Mn2Co5O16,-6.4826774988,-1.7891479757000002,0.1239895088,0.1239895088,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100653,Li9Mn2Co5O16,-6.5073508706,-1.8138213475,0.0993161369,0.0993161369,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100654,Li9Mn2Co5O16,-6.5259087378,-1.8323792147,0.0807582697,0.0807582697,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100655,Li9Mn2Co5O16,-6.4939081753,-1.8003786522,0.1127588322,0.1127588322,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100656,Li9Mn2Co5O16,-6.4930544159,-1.7995248928,0.1136125916,0.1136125916,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100657,Li9Mn2Co5O16,-6.4542979191,-1.760768396,0.1523690884,0.1523690884,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100658,Li9Mn2Co5O16,-6.4622328831,-1.76870336,0.1444341244,0.1444341244,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100659,Li9Mn2Co5O16,-6.4987480581,-1.805218535,0.1079189494,0.1079189494,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100660,Li9Mn2Co5O16,-6.4903784338,-1.7968489107,0.1162885738,0.1162885738,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100661,Li9Mn2Co5O16,-6.4396672728,-1.7461377497,0.1669997347,0.1669997347,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100662,Li9Mn2Co5O16,-6.5115029463,-1.8179734232,0.0951640613,0.0951640613,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100663,Li9Mn2Co5O16,-6.49704386,-1.8035143369,0.1096231475,0.1096231475,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100664,Li9Mn2Co5O16,-6.4946508375,-1.8011213144,0.11201617,0.11201617,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100665,Li9Mn2Co5O16,-6.5018892075,-1.8083596844,0.1047777999999999,0.1047777999999999,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100666,Li9Mn2Co5O16,-6.5020914366,-1.8085619135,0.1045755709,0.1045755709,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100667,Li9Mn2Co5O16,-6.5251458481,-1.831616325,0.0815211594,0.0815211594,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100668,Li9Mn2Co5O16,-6.4600469853,-1.7665174622,0.1466200222,0.1466200222,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100669,Li9Mn2Co5O16,-6.4941819238,-1.8006524007,0.1124850838,0.1124850838,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100670,Li9Mn2Co5O16,-6.5146831763,-1.8211536532,0.0919838313,0.0919838313,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100671,Li9Mn2Co5O16,-6.5209988678,-1.8274693447,0.0856681397,0.0856681397,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100672,Li9Mn2Co5O16,-6.5065111394,-1.8129816163,0.1001558681,0.1001558681,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100673,Li9Mn2Co5O16,-6.5237449106,-1.8302153875,0.0829220969,0.0829220969,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100674,Li9Mn2Co5O16,-6.4985320744,-1.8050025513,0.1081349331,0.1081349331,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100675,Li9Mn2Co5O16,-6.5065860941,-1.813056571,0.1000809134,0.1000809134,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100676,Li9Mn2Co5O16,-6.5079556469,-1.8144261238,0.0987113606,0.0987113606,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100677,Li9Mn2Co5O16,-6.5200319531,-1.82650243,0.0866350544,0.0866350544,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_3a2b_5a4b_b_8a8b:Co-Li-Mn-O, expected Li13Mn2Co7O24 to be Li9Mn2Co5O16" +mp-1100678,Li9Mn2Co5O16,-6.5260328444,-1.8325033213,0.0806341631,0.0806341631,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O +mp-1100679,Li9Mn2Co5O16,-6.3948182063,-1.7012886832,0.2118488013,0.2118488013,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_3a2b_5a3b_b_8a6b:Co-Li-Mn-O, expected Li11Mn2Co7O20 to be Li9Mn2Co5O16" +mp-1100680,Li9Mn2Co5O16,-6.5327523591,-1.839222836,0.0739146484,0.0739146484,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_3a3b_b_4a6b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_a4b_3a6b_b_4a12b:Co-Li-Mn-O, expected Li15Mn2Co9O28 to be Li9Mn2Co5O16" +mp-1100681,Li9Mn2Co5O16,-6.5120743256,-1.8185448025,0.0945926819,0.0945926819,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O +mp-1100682,Li9Mn2Co5O16,-6.5123525672,-1.8188230441,0.0943144403,0.0943144403,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_3ab_5a4b_b_8a8b:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li9Mn2Co5O16" +mp-1100683,Li9Mn2Co5O16,-6.5368087534,-1.8432792303,0.0698582541,0.0698582541,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_3a3b_b_4a6b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_a3b_3a5b_b_4a10b:Co-Li-Mn-O, expected Li13Mn2Co7O24 to be Li9Mn2Co5O16" +mp-1100684,Li9Mn2Co5O16,-6.5255539062,-1.8320243832,0.0811131013,0.0811131013,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_5a2b_2a_8a4b:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_a2b_5a2b_2a_8a4b:Co-Li-Mn-O +mp-1100685,Li9Mn2Co5O16,-6.5140385916,-1.8205090685,0.0926284159,0.0926284159,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_5a2b_2a_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_a4b_5a4b_2a_8a8b:Co-Li-Mn-O, expected Li13Mn2(Co3O8)3 to be Li9Mn2Co5O16" +mp-1100686,Li9Mn2Co5O16,-6.5232047541,-1.829675231,0.0834622534,0.0834622534,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_5a2b_2a_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_a4b_5a4b_2a_8a8b:Co-Li-Mn-O, expected Li13Mn2(Co3O8)3 to be Li9Mn2Co5O16" +mp-1100688,Li9Mn2Co5O16,-6.5309243794,-1.8373948563,0.0757426281,0.0757426281,GGA+U,Cm,A5B9C2D16_mC64_8_a2b_5a2b_2a_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_a4b_5a3b_2a_8a6b:Co-Li-Mn-O, expected Li11Mn2Co9O20 to be Li9Mn2Co5O16" +mp-1100692,Li9Mn2Co5O16,-6.4955500206,-1.8020204975,0.1111169869,0.1111169869,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100755,Li9Mn2Co5O16,-6.4798234669,-1.7862939438,0.1268435406,0.1268435406,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100756,Li9Mn2Co5O16,-6.5232829759,-1.8297534528,0.0833840316,0.0833840316,GGA+U,Cm,A5B9C2D16_mC64_8_3ab_5a2b_b_8a4b:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_8_3ab_5a4b_b_8a8b:Co-Li-Mn-O, expected Li13Mn2Co5O24 to be Li9Mn2Co5O16" +mp-1100757,Li9Mn2Co5O16,-6.4941990759,-1.8006695528,0.1124679316,0.1124679316,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100758,Li9Mn2Co5O16,-6.5076814084,-1.8141518853,0.0989855991,0.0989855991,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100759,Li9Mn2Co5O16,-6.4800429459,-1.7865134228,0.1266240616,0.1266240616,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100760,Li9Mn2Co5O16,-6.5166962338,-1.8231667107,0.0899707738,0.0899707738,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1176281,Li9Mn2Co5O16,-6.5028343481,-1.809304825,0.1038326594,0.1038326594,GGA+U,Cm,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O,32.0,A5B9C2D16_mC64_8_5a_9a_2a_16a:Co-Li-Mn-O +mp-1100687,Li9Mn2Co5O16,-6.4844708222000005,-1.7909412991,0.1221961853,0.1221961853,GGA+U,P2/m,A5B9C2D16_mP32_10_bmn_d2m2n_ch_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_bm2n_g3m3n_ce_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100689,Li9Mn2Co5O16,-6.4734843397,-1.7799548166,0.1331826678,0.1331826678,GGA+U,P2/m,A5B9C2D16_mP32_10_emn_achm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_em2n_ach2m4n_m_8m8n:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100690,Li9Mn2Co5O16,-6.4700067575,-1.7764772344000002,0.13666025,0.13666025,GGA+U,P2/m,A5B9C2D16_mP32_10_bcdn_h2m2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_bcem_g2m2n_n_8m8n:Co-Li-Mn-O, expected Li9Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1100691,Li9Mn2Co5O16,-6.5024161294,-1.8088866063,0.1042508781,0.1042508781,GGA+U,P2/m,A5B9C2D16_mP32_10_a2n_cdgm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a3n_cdg2m3n_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100693,Li9Mn2Co5O16,-6.4788173522,-1.7852878291,0.1278496553,0.1278496553,GGA+U,P2/m,A5B9C2D16_mP32_10_amn_cdgm2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2mn_cdg2m3n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100694,Li9Mn2Co5O16,-6.3736691244,-1.6801396013,0.2329978831,0.2329978831,GGA+U,P2/m,A5B9C2D16_mP32_10_cik_defj2l_i_mn3o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_cj2k_abf2i4l_j_2m2n12o:Co-Li-Mn-O, expected Li15Mn2(CoO8)7 to be Li9Mn2Co5O16" +mp-1100695,Li9Mn2Co5O16,-6.3016731175,-1.6081435944,0.30499389,0.30499389,GGA+U,P2/m,A5B9C2D16_mP32_10_b2m_cdhm2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_b3m_ceg2m4n_n_8m8n:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100696,Li9Mn2Co5O16,-6.5349946022,-1.8414650791,0.0716724053,0.0716724053,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_gjkmn_bh_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2o_d2k2l2mn_be_4m4n8o:Co-Li-Mn-O, expected Li15Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100697,Li9Mn2Co5O16,-6.5143995153,-1.8208699922,0.0922674922,0.0922674922,GGA+U,P2/m,A5B9C2D16_mP32_10_bmn_cdhm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_b2m2n_ceg2m4n_m_8m8n:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100698,Li9Mn2Co5O16,-6.4310762628,-1.7375467397,0.1755907447,0.1755907447,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_bcdefo_gh_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_ao_bcfgh2o_de_4m4n8o:Co-Li-Mn-O, expected Li13Mn2Co5O48 to be Li9Mn2Co5O16" +mp-1100699,Li9Mn2Co5O16,-6.5425412491,-1.849011726,0.0641257584,0.0641257584,GGA+U,P2/m,A5B9C2D16_mP32_10_emn_achm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_e2mn_achm4n_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100700,Li9Mn2Co5O16,-6.5142245422,-1.8206950191,0.0924424653,0.0924424653,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_hjkmn_bg_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2o_e2k2lm2n_bd_4m4n8o:Co-Li-Mn-O, expected Li15Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100701,Li9Mn2Co5O16,-6.5124601,-1.8189305769,0.0942069075,0.0942069075,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_bjkmn_gh_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2o_b2k2lm2n_de_4m4n8o:Co-Li-Mn-O, expected Li15Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100702,Li9Mn2Co5O16,-6.5547199694,-1.8611904463,0.0519470381,0.0519470381,GGA+U,P2/m,A5B9C2D16_mP32_10_abgj_hmno_k_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_abdk_e2mn4o_l_4m4n8o:Co-Li-Mn-O, expected Li23Mn2Co5O48 to be Li9Mn2Co5O16" +mp-1100714,Li9Mn2Co5O16,-6.5396601644,-1.8461306413,0.0670068431,0.0670068431,GGA+U,P2/m,A5B9C2D16_mP32_10_amn_cdgm2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2mn_cdg2m3n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100715,Li9Mn2Co5O16,-6.551547095,-1.8580175719,0.0551199125,0.0551199125,GGA+U,P2/m,A5B9C2D16_mP32_10_acen_h2m2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_acen_h3m3n_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1100716,Li9Mn2Co5O16,-6.5098694013,-1.8163398782,0.0967976062,0.0967976062,GGA+U,P2/m,A5B9C2D16_mP32_10_a2n_ceh2mn_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a4n_ceh4mn_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100717,Li9Mn2Co5O16,-6.4743250834,-1.7807955603,0.1323419241,0.1323419241,GGA+U,P2/m,A5B9C2D16_mP32_10_acdn_g2m2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_acd2n_g4m2n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100718,Li9Mn2Co5O16,-6.5146399072,-1.8211103841,0.0920271003,0.0920271003,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_cdefho_bg_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2o_cefgh2o_bd_4m4n8o:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100719,Li9Mn2Co5O16,-6.5320207544,-1.8384912313,0.0746462531,0.0746462531,GGA+U,P2/m,A5B9C2D16_mP32_10_ao_cdefgo_bh_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2o_cdfgh2o_be_4m4n8o:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100720,Li9Mn2Co5O16,-6.5089217328,-1.8153922097,0.0977452747,0.0977452747,GGA+U,P2/m,A5B9C2D16_mP32_10_a2n_cdgm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a3n_cdg2m3n_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100721,Li9Mn2Co5O16,-6.5034190484,-1.8098895253,0.1032479591,0.1032479591,GGA+U,P2/m,A5B9C2D16_mP32_10_abgk_hmno_j_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_abd2l_emn2o_k_4m4n8o:Co-Li-Mn-O, expected Li13Mn2Co7O48 to be Li9Mn2Co5O16" +mp-1100722,Li9Mn2Co5O16,-6.4684115772,-1.7748820541,0.1382554303,0.1382554303,GGA+U,P2/m,A5B9C2D16_mP32_10_a2n_d2m2n_cg_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a4n_g4m2n_cd_8m8n:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100723,Li9Mn2Co5O16,-6.5073977881000005,-1.813868265,0.0992692194,0.0992692194,GGA+U,P2/m,A5B9C2D16_mP32_10_a2n_g2m2n_cd_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a4n_d4m2n_cg_8m8n:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100724,Li9Mn2Co5O16,-6.4542590803,-1.7607295572,0.1524079272,0.1524079272,GGA+U,P2/m,A5B9C2D16_mP32_10_amn_c2m2n_eh_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2mn_c3m3n_eh_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100725,Li9Mn2Co5O16,-6.5055023388,-1.8119728157,0.1011646688,0.1011646688,GGA+U,P2/m,A5B9C2D16_mP32_10_amn_h2m2n_ce_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2mn_e3m3n_ch_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100726,Li9Mn2Co5O16,-6.5009979069,-1.8074683838,0.1056691006,0.1056691006,GGA+U,P2/m,A5B9C2D16_mP32_10_bcdm_h2m2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_bce2n_g2m2n_m_8m8n:Co-Li-Mn-O, expected Li9Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100727,Li9Mn2Co5O16,-6.4881285512,-1.7945990282,0.1185384563,0.1185384563,GGA+U,P2/m,A5B9C2D16_mP32_10_emn_achm2n_m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_e2mn_achm4n_m_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100728,Li9Mn2Co5O16,-6.4754786222,-1.7819490991,0.1311883853,0.1311883853,GGA+U,P2/m,A5B9C2D16_mP32_10_ajk_bmno_gh_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2k2l_bmn2o_de_4m4n8o:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100729,Li9Mn2Co5O16,-6.5215139147,-1.8279843916,0.0851530928,0.0851530928,GGA+U,P2/m,A5B9C2D16_mP32_10_ajk_hmno_bg_2m2n2o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_a2k2l_emn2o_bd_4m4n8o:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100731,Li9Mn2Co5O16,-6.4839580922,-1.7904285691,0.1227089153,0.1227089153,GGA+U,P2/m,A5B9C2D16_mP32_10_amn_cdgm2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_amn_cdg2m3n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1100732,Li9Mn2Co5O16,-6.4868606244,-1.7933311013000002,0.1198063831,0.1198063831,GGA+U,P2/m,A5B9C2D16_mP32_10_bmn_h2m2n_cd_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_bm2n_e3m3n_cg_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100734,Li9Mn2Co5O16,-6.537985615,-1.8444560919,0.0686813925,0.0686813925,GGA+U,P2/m,A5B9C2D16_mP32_10_acdn_g2m2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_acd2n_g4m2n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100735,Li9Mn2Co5O16,-6.48054669,-1.7870171669,0.1261203175,0.1261203175,GGA+U,P2/m,A5B9C2D16_mP32_10_acem_h2m2n_n_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_ace2m_h3m3n_n_8m8n:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100737,Li9Mn2Co5O16,-6.5348776419,-1.8413481188,0.0717893656,0.0717893656,GGA+U,P2/m,A5B9C2D16_mP32_10_cik_defj2l_i_mn3o:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mP32_10_c2j2k_abf2i4l_j_2m2n12o:Co-Li-Mn-O, expected Li15Mn2Co9O56 to be Li9Mn2Co5O16" +mp-1100730,Li9Mn2Co5O16,-6.4621067962,-1.7685772732,0.1445602113,0.1445602113,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100733,Li9Mn2Co5O16,-6.4664800903,-1.7729505672,0.1401869172,0.1401869172,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100736,Li9Mn2Co5O16,-6.4818651647,-1.7883356416,0.1248018428,0.1248018428,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100738,Li9Mn2Co5O16,-6.4989351466,-1.8054056235,0.1077318609,0.1077318609,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_beh2i_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_bfh4i_i_8i4j:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100739,Li9Mn2Co5O16,-6.5034967066,-1.8099671835,0.1031703009,0.1031703009,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_beh2i_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_b2f2h4i_i_8i8j:Co-Li-Mn-O, expected Li17Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1100740,Li9Mn2Co5O16,-6.5156332622,-1.8221037391,0.0910337453,0.0910337453,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100741,Li9Mn2Co5O16,-6.5080402216,-1.8145106985,0.0986267859,0.0986267859,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100742,Li9Mn2Co5O16,-6.3506723134,-1.6571427903,0.2559946941,0.2559946941,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100743,Li9Mn2Co5O16,-6.4810929587,-1.7875634357,0.1255740488,0.1255740488,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100744,Li9Mn2Co5O16,-6.4794674091,-1.785937886,0.1271995984,0.1271995984,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100745,Li9Mn2Co5O16,-6.4643891078,-1.7708595847000002,0.1422778997,0.1422778997,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100746,Li9Mn2Co5O16,-6.4626231094,-1.7690935863,0.1440438981,0.1440438981,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100747,Li9Mn2Co5O16,-6.4905205212,-1.7969909982,0.1161464863,0.1161464863,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100748,Li9Mn2Co5O16,-6.4529912178,-1.7594616947,0.1536757897,0.1536757897,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100749,Li9Mn2Co5O16,-6.479560815,-1.7860312919,0.1271061925,0.1271061925,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100750,Li9Mn2Co5O16,-6.4823678816,-1.7888383585,0.1242991259,0.1242991259,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100751,Li9Mn2Co5O16,-6.4024420294,-1.7089125063,0.2042249781,0.2042249781,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1100752,Li9Mn2Co5O16,-6.4251621709,-1.7316326478,0.1815048366,0.1815048366,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1100753,Li9Mn2Co5O16,-6.4158520809,-1.7223225578,0.1908149266,0.1908149266,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1175395,Li9Mn2Co5O16,-6.5446411534,-1.8511116303,0.0620258541,0.0620258541,GGA+U,C2/m,A5B9C2D16_mC64_12_abce_d2ij_f_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_abc2e_d4ij_f_7i8j:Co-Li-Mn-O, expected Li13Mn2Co7O46 to be Li9Mn2Co5O16" +mp-1175474,Li9Mn2Co5O16,-6.5543986109,-1.8608690878,0.0522683966,0.0522683966,GGA+U,C2/m,A5B9C2D16_mC64_12_aei_b2ij_h_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2f2i_b4i3j_h_7i8j:Co-Li-Mn-O, expected Li21Mn2Co9O46 to be Li9Mn2Co5O16" +mp-1176242,Li9Mn2Co5O16,-6.5451236287,-1.8515941057,0.0615433788,0.0615433788,GGA+U,C2/m,A5B9C2D16_mC64_12_ahi_b2ij_e_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_ah2i_b3ij_f_8i8j:Co-Li-Mn-O, expected Li11Mn2Co7O48 to be Li9Mn2Co5O16" +mp-1176255,Li9Mn2Co5O16,-6.5380725387,-1.8445430157,0.0685944688,0.0685944688,GGA+U,C2/m,A5B9C2D16_mC64_12_a2h_bfij_g_2i3j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4h_bei2j_g_4i10j:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1176265,Li9Mn2Co5O16,-6.538221675,-1.8446921519,0.0684453325,0.0684453325,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1176272,Li9Mn2Co5O16,-6.4994354975,-1.8059059744,0.10723151,0.10723151,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_bcdij_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_bcd2i2j_i_8i8j:Co-Li-Mn-O, expected Li15Mn2Co5O48 to be Li9Mn2Co5O16" +mp-1176275,Li9Mn2Co5O16,-6.5469850672,-1.8534555441,0.0596819403,0.0596819403,GGA+U,C2/m,A5B9C2D16_mC64_12_agh_bfij_h_2i3j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_ag2h_bei2j_h_4i10j:Co-Li-Mn-O, expected Li13Mn2Co7O48 to be Li9Mn2Co5O16" +mp-1176277,Li9Mn2Co5O16,-6.5416257928,-1.8480962697,0.0650412147,0.0650412147,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_bcdhj_g_2i3j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_bcdh2j_g_4i10j:Co-Li-Mn-O, expected Li13Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1176283,Li9Mn2Co5O16,-6.5366770775,-1.8431475544,0.06998993,0.06998993,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c7i_i_16i:Co-Li-Mn-O, expected Li15Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1176285,Li9Mn2Co5O16,-6.5424398106,-1.8489102875,0.0642271969,0.0642271969,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_d4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1176286,Li9Mn2Co5O16,-6.5410976234,-1.8475681003,0.0655693841,0.0655693841,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_bf2hi_g_2i3j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_b2e4h2i_g_4i12j:Co-Li-Mn-O, expected Li17Mn2Co9O56 to be Li9Mn2Co5O16" +mp-1176287,Li9Mn2Co5O16,-6.5500508259,-1.8565213028,0.0566161816,0.0566161816,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_d6i_i_15i:Co-Li-Mn-O, expected Li13Mn2Co7O30 to be Li9Mn2Co5O16" +mp-1176291,Li9Mn2Co5O16,-6.5130561338,-1.8195266107,0.0936108738,0.0936108738,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_b2ij_cd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_b3i2j_cd_8i7j:Co-Li-Mn-O, expected Li15Mn2Co5O44 to be Li9Mn2Co5O16" +mp-1176293,Li9Mn2Co5O16,-6.4365494725,-1.7430199494,0.170117535,0.170117535,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_c2ij_bd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_c3i2j_bd_8i7j:Co-Li-Mn-O, expected Li15Mn2Co5O44 to be Li9Mn2Co5O16" +mp-1176296,Li9Mn2Co5O16,-6.534030845,-1.8405013219,0.0726361625,0.0726361625,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_d2ij_bc_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_d3i2j_bc_8i7j:Co-Li-Mn-O, expected Li15Mn2Co5O44 to be Li9Mn2Co5O16" +mp-1176297,Li9Mn2Co5O16,-6.4952837547,-1.8017542316,0.1113832528,0.1113832528,GGA+U,C2/m,A5B9C2D16_mC64_12_aei_b2ij_h_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_afi_b3ij_h_7i8j:Co-Li-Mn-O, expected Li11Mn2Co5O46 to be Li9Mn2Co5O16" +mp-1176303,Li9Mn2Co5O16,-6.4714485944,-1.7779190713,0.1352184131,0.1352184131,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_def2i_bc_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_def4i_bc_8i4j:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1176304,Li9Mn2Co5O16,-6.5198424894,-1.8263129663,0.0868245181,0.0868245181,GGA+U,C2/m,A5B9C2D16_mC64_12_aef_c2ij_bd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2e2f_c3i2j_bd_8i7j:Co-Li-Mn-O, expected Li15Mn2Co9O44 to be Li9Mn2Co5O16" +mp-1176306,Li9Mn2Co5O16,-6.4420572544,-1.7485277313,0.1646097531,0.1646097531,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_bcdij_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_bcd2i3j_i_8i8j:Co-Li-Mn-O, expected Li19Mn2Co5O48 to be Li9Mn2Co5O16" +mp-1176308,Li9Mn2Co5O16,-6.5484352506,-1.8549057275,0.0582317569,0.0582317569,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a3i_d6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co7O32 to be Li9Mn2Co5O16" +mp-1176309,Li9Mn2Co5O16,-6.5263543759,-1.8328248528,0.0803126316,0.0803126316,GGA+U,C2/m,A5B9C2D16_mC64_12_a2i_c4i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a4i_c6i_i_16i:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1176310,Li9Mn2Co5O16,-6.5247079062,-1.8311783832,0.0819591013,0.0819591013,GGA+U,C2/m,A5B9C2D16_mC64_12_agh_bfij_h_2i3j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_ag2h_bei2j_h_4i10j:Co-Li-Mn-O, expected Li13Mn2Co7O48 to be Li9Mn2Co5O16" +mp-1176312,Li9Mn2Co5O16,-6.3900120163,-1.6964824932,0.2166549913,0.2166549913,GGA+U,C2/m,A5B9C2D16_mC64_12_aeh_b2ij_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2f2h_b3i2j_i_8i7j:Co-Li-Mn-O, expected Li15Mn2Co9O44 to be Li9Mn2Co5O16" +mp-1176314,Li9Mn2Co5O16,-6.5376439847,-1.8441144616,0.0690230228,0.0690230228,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_cef2i_bd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_aj_cef4i_bd_8i4j:Co-Li-Mn-O, expected Li13Mn2Co5O32 to be Li9Mn2Co5O16" +mp-1176316,Li9Mn2Co5O16,-6.5151364897,-1.8216069666,0.0915305178,0.0915305178,GGA+U,C2/m,A5B9C2D16_mC64_12_aef_d2ij_bc_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2e2f_d3i2j_bc_8i7j:Co-Li-Mn-O, expected Li15Mn2Co9O44 to be Li9Mn2Co5O16" +mp-1176318,Li9Mn2Co5O16,-6.4831619384,-1.7896324153,0.1235050691,0.1235050691,GGA+U,C2/m,A5B9C2D16_mC64_12_aeh_b2ij_i_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2f2h_b3i2j_i_8i8j:Co-Li-Mn-O, expected Li15Mn2(Co3O16)3 to be Li9Mn2Co5O16" +mp-1176322,Li9Mn2Co5O16,-6.5058143941,-1.812284871,0.1008526134,0.1008526134,GGA+U,C2/m,A5B9C2D16_mC64_12_aj_bef2i_cd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2j_bef4i_cd_8i4j:Co-Li-Mn-O, expected Li13Mn2Co9O32 to be Li9Mn2Co5O16" +mp-1176323,Li9Mn2Co5O16,-6.4938339369,-1.8003044138000002,0.1128330706,0.1128330706,GGA+U,C2/m,A5B9C2D16_mC64_12_aef_b2ij_cd_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_a2e2f_b3i2j_cd_8i7j:Co-Li-Mn-O, expected Li15Mn2Co9O44 to be Li9Mn2Co5O16" +mp-1176324,Li9Mn2Co5O16,-6.4766806628,-1.7831511397000002,0.1299863447,0.1299863447,GGA+U,C2/m,A5B9C2D16_mC64_12_abcf_d2ij_e_4i2j:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A5B9C2D16_mC64_12_abc2f_d4ij_e_7i8j:Co-Li-Mn-O, expected Li13Mn2Co7O46 to be Li9Mn2Co5O16" +mp-849767,Mn3SnO8,-7.7089839508,-1.7865566657,0.0955344865,0.0955344865,GGA+U,R-3m,A3B8C_hR36_166_d_ch_a:Mn-O-Sn,24.0,A3B8C_hR36_166_d_ch_a:Mn-O-Sn +mp-753706,Mn3SnO8,-7.7603960008,-1.8379687157,0.0441224365,0.0441224365,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mn-O-Sn,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Mn-O-Sn, expected Mn3SnO30 to be Mn3SnO8" +mp-770865,Mn3SnO8,-7.7157789435,-1.7933516584,0.0887394937,0.0887394937,GGA+U,P4_332,A3B8C_cP48_212_d_ce_a:Mn-O-Sn,48.0,"Invalid WP multiplicities - A3B8C_cP48_212_d_8c9e_a:Mn-O-Sn, expected Mn3SnO70 to be Mn3SnO8" +mp-1173931,Li3Mn(CoO3)2,-6.7073107688,-1.8085147896,0.0802193244,0.0802193244,GGA+U,P-1,A2B3CD6_aP12_2_i_ai_c_3i:Co-Li-Mn-O,24.0,A2B3CD6_aP12_2_i_ai_c_3i:Co-Li-Mn-O +mp-1173934,Li3Mn(CoO3)2,-6.7341690558,-1.8353730767,0.0533610373,0.0533610373,GGA+U,P-1,A2B3CD6_aP24_2_2i_ah2i_cf_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_2i_ah4i_cf_9i:Co-Li-Mn-O, expected Li5MnCo2O9 to be Li3Mn(CoO3)2" +mp-1173940,Li3Mn(CoO3)2,-6.6879266683,-1.7891306892,0.0996034248,0.0996034248,GGA+U,P-1,A2B3CD6_aP12_2_i_ai_e_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_aP12_2_i_a2i_e_5i:Co-Li-Mn-O, expected Li5Mn(CoO5)2 to be Li3Mn(CoO3)2" +mp-1173944,Li3Mn(CoO3)2,-6.7057142767,-1.8069182975,0.0818158165,0.0818158165,GGA+U,P-1,A2B3CD6_aP12_2_i_bi_c_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_aP12_2_i_bi_c_6i:Co-Li-Mn-O, expected Li3Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1272557,Li3Mn(CoO3)2,-6.7070192329000005,-1.8082232538,0.0805108602,0.0805108602,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_be_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_2i_4i_be_12i:Co-Li-Mn-O, expected Li4Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1275523,Li3Mn(CoO3)2,-6.6810393875,-1.7822434084,0.1064907056,0.1064907056,GGA+U,P-1,A2B3CD6_aP24_2_2i_ah2i_cf_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_2i_ah3i_cf_11i:Co-Li-Mn-O, expected Li4MnCo2O11 to be Li3Mn(CoO3)2" +mp-1275547,Li3Mn(CoO3)2,-6.7069552938,-1.8081593146,0.0805747994,0.0805747994,GGA+U,P-1,A2B3CD6_aP24_2_2i_be2i_i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_3i_bc3i_i_11i:Co-Li-Mn-O, expected Li4MnCo3O11 to be Li3Mn(CoO3)2" +mp-1301636,Li3Mn(CoO3)2,-6.7201236663,-1.8213276871,0.0674064269,0.0674064269,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_be_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_2i_4i_be_12i:Co-Li-Mn-O, expected Li4Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-761633,Li3Mn(CoO3)2,-6.7085564308,-1.8097604517,0.0789736623,0.0789736623,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Co-Li-Mn-O,24.0,A2B3CD6_mC24_12_i_ai_d_3i:Co-Li-Mn-O +mp-1173925,Li3Mn(CoO3)2,-6.7267379833,-1.8279420042,0.0607921098,0.0607921098,GGA+U,C2/m,A2B3CD6_mC24_12_g_ch_b_ij:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_g_ch_a_2i2j:Co-Li-Mn-O, expected Li3Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1173932,Li3Mn(CoO3)2,-6.7066593183,-1.8078633392,0.0808707748,0.0808707748,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_d_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_a2i_c_5i:Co-Li-Mn-O, expected Li5Mn(CoO5)2 to be Li3Mn(CoO3)2" +mp-1173953,Li3Mn(CoO3)2,-6.6893350042,-1.7905390250000002,0.098195089,0.098195089,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_c_6i:Co-Li-Mn-O, expected Li3Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1173976,Li3Mn(CoO3)2,-6.7209898308,-1.8221938517,0.0665402623,0.0665402623,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_d_6i:Co-Li-Mn-O, expected Li3Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1302582,Li3Mn(CoO3)2,-6.707827875,-1.8090318959,0.0797022181,0.0797022181,GGA+U,C2/m,A2B3CD6_mC24_12_g_ch_b_ij:Co-Li-Mn-O,24.0,A2B3CD6_mC24_12_g_ch_a_ij:Co-Li-Mn-O +mp-1173922,Li3Mn(CoO3)2,-6.6561775867,-1.7573816075000002,0.1313525065,0.1313525065,GGA+U,P-3m1,A2B3CD6_hP12_164_d_ad_b_c2d:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_hP12_164_d_ad_b_2c4d:Co-Li-Mn-O, expected Li3Mn(CoO6)2 to be Li3Mn(CoO3)2" +mp-1306381,Li3MnCo3O8,-6.7494795997,-1.6969964685,0.0983209124,0.0983209124,GGA+U,P1,A3B3CD8_aP30_1_6a_6a_2a_16a:Co-Li-Mn-O,30.0,A3B3CD8_aP30_1_6a_6a_2a_16a:Co-Li-Mn-O +mp-1280534,Li3MnCo3O8,-6.7372398683,-1.6847567372,0.1105606438,0.1105606438,GGA+U,P-1,A3B3CD8_aP30_2_abcefh_3i_dg_8i:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_aP30_2_abcefh_3i_dg_13i:Co-Li-Mn-O, expected Li3MnCo3O13 to be Li3MnCo3O8" +mp-1301147,Li3MnCo3O8,-6.732901035,-1.6804179039,0.1148994771,0.1148994771,GGA+U,P-1,A3B3CD8_aP30_2_abcefh_3i_dg_8i:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_aP30_2_abcefh_3i_dg_13i:Co-Li-Mn-O, expected Li3MnCo3O13 to be Li3MnCo3O8" +mp-1282801,Li3MnCo3O8,-6.7413470673,-1.6888639362,0.1064534448,0.1064534448,GGA+U,C2,A3B3CD8_mC60_5_ab2c_3c_ab_8c:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_aP30_2_ah4i_bcefi_dg_16i:Co-Li-Mn-O, expected Li3MnCo5O16 to be Li3MnCo3O8" +mp-758163,Li3MnCo3O8,-6.782501276,-1.7300181449,0.0652992361,0.0652992361,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_ae_c2f_b_4i3j:Co-Li-Mn-O, expected Li5MnCo3O20 to be Li3MnCo3O8" +mp-1275723,Li3MnCo3O8,-6.7504833793,-1.6980002482,0.0973171328,0.0973171328,GGA+U,C2/m,A3B3CD8_mC30_12_be_cf_a_2ij:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_2a2f_c2e_b_3ij:Co-Li-Mn-O, expected Li5Mn(Co3O5)2 to be Li3MnCo3O8" +mp-1291752,Li3MnCo3O8,-6.7524965063,-1.7000133752000002,0.0953040058,0.0953040058,GGA+U,C2/c,A3B3CD8_mC60_15_abc_ef_d_4f:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_aP30_2_abcefh_3i_dg_14i:Co-Li-Mn-O, expected Li3MnCo3O14 to be Li3MnCo3O8" +mp-774219,Li3MnCo3O8,-6.8175336507,-1.7650505195,0.0302668614,0.0302668614,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_c2h:Co-Li-Mn-O, expected Li3MnCo3O14 to be Li3MnCo3O8" +mp-1173950,Li3Mn2CoO6,-7.0473323417,-1.9773949044,0.0473176969,0.0473176969,GGA+U,P-1,AB3C2D6_aP12_2_a_ei_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_aP12_2_a_ei_i_6i:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-1173956,Li3Mn2CoO6,-7.0442690492,-1.9743316119,0.0503809894,0.0503809894,GGA+U,P-1,AB3C2D6_aP12_2_a_ci_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_aP12_2_a_ci_i_6i:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-1173957,Li3Mn2CoO6,-7.0382089975,-1.9682715603,0.056441041,0.056441041,GGA+U,P-1,AB3C2D6_aP12_2_b_ci_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_aP12_2_b_c2i_i_5i:Co-Li-Mn-O, expected Li5Mn2CoO10 to be Li3Mn2CoO6" +mp-1173959,Li3Mn2CoO6,-7.04764049,-1.9777030528,0.0470095485,0.0470095485,GGA+U,P-1,AB3C2D6_aP12_2_b_di_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_aP12_2_b_di_i_6i:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-1280502,Li3Mn2CoO6,-7.0315574767,-1.9616200394,0.0630925619,0.0630925619,GGA+U,P-1,AB3C2D6_aP24_2_ab_3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB3C2D6_aP24_2_ab_5i_3i_11i:Co-Li-Mn-O, expected Li5Mn3CoO11 to be Li3Mn2CoO6" +mp-1275688,Li3Mn2CoO6,-7.0479510213,-1.978013584,0.0466990173,0.0466990173,GGA+U,P-1,AB3C2D6_aP12_2_b_ci_i_3i:Co-Li-Mn-O,24.0,AB3C2D6_aP12_2_b_ci_i_3i:Co-Li-Mn-O +mp-1310833,Li3Mn2CoO6,-7.0452538758,-1.9753164386,0.0493961627,0.0493961627,GGA+U,P-1,AB3C2D6_aP24_2_bd_3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB3C2D6_aP24_2_bd_4i_2i_9i:Co-Li-Mn-O, expected Li4Mn2CoO9 to be Li3Mn2CoO6" +mp-1304514,Li3Mn2CoO6,-7.0477185733,-1.9777811361,0.0469314652,0.0469314652,GGA+U,P-1,AB3C2D6_aP24_2_bd_3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB3C2D6_aP24_2_bd_4i_2i_9i:Co-Li-Mn-O, expected Li4Mn2CoO9 to be Li3Mn2CoO6" +mp-1304294,Li3Mn2CoO6,-7.0740509983,-2.0041135611,0.0205990402,0.0205990402,GGA+U,C2,AB3C2D6_mC24_5_a_3b_2a_3c:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_5_a_3b_2a_6c:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-752794,Li3Mn2CoO6,-7.0475855133,-1.9776480761,0.0470645252,0.0470645252,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Co-Li-Mn-O,24.0,AB3C2D6_mC24_12_a_di_i_3i:Co-Li-Mn-O +mp-1173936,Li3Mn2CoO6,-7.0565824042,-1.9866449669,0.0380676344,0.0380676344,GGA+U,C2/m,AB3C2D6_mC24_12_a_dh_g_ij:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_ch_g_2i2j:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-1173946,Li3Mn2CoO6,-7.0319148333,-1.9619773961,0.0627352052,0.0627352052,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_d2i_i_5i:Co-Li-Mn-O, expected Li5Mn2CoO10 to be Li3Mn2CoO6" +mp-1173948,Li3Mn2CoO6,-7.0267016775,-1.9567642403,0.067948361,0.067948361,GGA+U,C2/m,AB3C2D6_mC24_12_a_di_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_ci_i_6i:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-1173968,Li3Mn2CoO6,-7.0486468783,-1.9787094411,0.0460031602,0.0460031602,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Co-Li-Mn-O,24.0,AB3C2D6_mC24_12_a_di_i_3i:Co-Li-Mn-O +mp-1173988,Li3Mn2CoO6,-7.0518567325,-1.9819192953,0.042793306,0.042793306,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_c2i_i_5i:Co-Li-Mn-O, expected Li5Mn2CoO10 to be Li3Mn2CoO6" +mp-1275606,Li3Mn2CoO6,-7.0722810521,-2.0023436149,0.0223689865,0.0223689865,GGA+U,C2/m,AB3C2D6_mC48_12_ad_ij_gh_2i2j:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB3C2D6_mC48_12_ac_ij_2g2h_4i6j:Co-Li-Mn-O, expected Li3Mn4CoO16 to be Li3Mn2CoO6" +mp-1306526,Li3Mn2CoO6,-7.0688101054,-1.9988726682,0.0258399331,0.0258399331,GGA+U,C2/c,AB3C2D6_mC48_15_e_cf_2e_3f:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB3C2D6_mC48_15_e_af_4e_7f:Co-Li-Mn-O, expected Li3Mn4CoO14 to be Li3Mn2CoO6" +mp-1173938,Li3Mn2CoO6,-6.978769275,-1.9088318378,0.1158807635,0.1158807635,GGA+U,P-3m1,AB3C2D6_hP12_164_a_bd_d_c2d:Co-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_hP12_164_a_bd_d_2c4d:Co-Li-Mn-O, expected Li3Mn2CoO12 to be Li3Mn2CoO6" +mp-756595,Li4Mn5SnO12,-7.350262608199999,-2.040462412,0.0891708145,0.0891708145,GGA+U,C2/m,A4B5C12D_mC44_12_j_agh_2i2j_d:Li-Mn-O-Sn,22.0,"Invalid WP multiplicities - A4B5C12D_mC44_12_j_a2gh_4i5j_c:Li-Mn-O-Sn, expected Li4Mn7SnO28 to be Li4Mn5SnO12" +mp-1295069,Li3Co4SnO8,-6.5619101606,-1.7029650778,0.0515549697,0.0515549697,GGA+U,P-1,A4B3C8D_aP16_2_abce_dfg_4i_h:Co-Li-O-Sn,32.0,"Invalid WP multiplicities - A4B3C8D_aP16_2_abce_dfg_5i_h:Co-Li-O-Sn, expected Li3Co4SnO10 to be Li3Co4SnO8" +mp-1302608,Li3Co4SnO8,-6.5652390644,-1.7062939816,0.0482260659,0.0482260659,GGA+U,P-1,A4B3C8D_aP32_2_abcefhi_dg2i_8i_i:Co-Li-O-Sn,32.0,"Invalid WP multiplicities - A4B3C8D_aP32_2_abd2efi_cg2i_13i_i:Co-Li-O-Sn, expected Li3Co4SnO13 to be Li3Co4SnO8" +mp-1309647,Li3Co4SnO8,-6.5559280678,-1.696982985,0.0575370625,0.0575370625,GGA+U,P-1,A4B3C8D_aP32_2_adgh2i_be2i_8i_cf:Co-Li-O-Sn,32.0,"Invalid WP multiplicities - A4B3C8D_aP32_2_2acg2i_ad2i_13i_ab:Co-Li-O-Sn, expected Li3Co4SnO13 to be Li3Co4SnO8" +mp-1301284,Li3Co4SnO8,-6.5497983412,-1.6908532584,0.0636667891,0.0636667891,GGA+U,P2/m,A4B3C8D_mP32_10_aceho_bgo_2m2n2o_df:Co-Li-O-Sn,32.0,"Invalid WP multiplicities - A4B3C8D_mP32_10_aceho_bdo_2m4n7o_fg:Co-Li-O-Sn, expected Li3Co4SnO20 to be Li3Co4SnO8" +mp-754169,Li3Co4SnO8,-6.5568378425,-1.6978927597,0.0566272878,0.0566272878,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Co-Li-O-Sn,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_c2f_3i2j_b:Co-Li-O-Sn, expected Li5Co4SnO14 to be Li3Co4SnO8" +mp-775491,Li3Mn5(CoO6)2,-7.5499358035,-1.862947386,0.1015922814,0.1015922814,GGA+U,C2,A2B3C5D12_mC132_5_ab2c_a4c_a2b6c_18c:Co-Li-Mn-O,66.0,"Invalid WP multiplicities - A2B3C5D12_mC132_5_ab2c_a6c_a2b9c_35c:Co-Li-Mn-O, expected Li13Mn21(Co3O35)2 to be Li3Mn5(CoO6)2" +mp-779065,Li2Mn2CoO6,-7.2423337432,-1.885031345,0.0767699463,0.0767699463,GGA+U,P-1,AB2C2D6_aP22_2_ac_dei_2i_6i:Co-Li-Mn-O,22.0,AB2C2D6_aP22_2_ac_dei_2i_6i:Co-Li-Mn-O +mp-754926,Li2Mn2CoO6,-7.2432306255,-1.8859282273,0.075873064,0.075873064,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Co-Li-Mn-O,22.0,AB2C2D6_oC44_64_a_e_d_fg:Co-Li-Mn-O +mp-757409,Li4Mn3SnO8,-7.0490221491,-2.1299709686,0.0322600817,0.0322600817,GGA+U,C2/m,A4B3C8D_mC32_12_abf_ce_2ij_d:Li-Mn-O-Sn,32.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_abe_2c2f_2ij_d:Li-Mn-O-Sn, expected Li4Mn6SnO8 to be Li4Mn3SnO8" +mp-1311476,LiCoSnO4,-6.5314896143,-1.843837134,0.0612018943,0.0612018943,GGA+U,C2/m,ABC4D_mC28_12_ac_i_2ij_e:Co-Li-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_ad_i_3i2j_e:Co-Li-O-Sn, expected LiCoSnO7 to be LiCoSnO4" +mp-1308196,LiCoSnO4,-6.5324061986,-1.8447537183,0.06028531,0.06028531,GGA+U,C2/m,ABC4D_mC56_12_adi_2i_4i2j_ef:Co-Li-O-Sn,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_ab2i_3i_14i_cdfg:Co-Li-O-Sn, expected Li3Co3(SnO7)2 to be LiCoSnO4" +mp-1302037,LiCoSnO4,-6.5309554407,-1.8433029605,0.0617360679,0.0617360679,GGA+U,C2/c,ABC4D_mC56_15_ab_f_4f_ce:Co-Li-O-Sn,28.0,"Invalid WP multiplicities - ABC4D_mC56_15_cd_f_8f_ae:Co-Li-O-Sn, expected LiCoSnO8 to be LiCoSnO4" +mp-1311767,LiCoSnO4,-6.5239659593,-1.836313479,0.0687255493,0.0687255493,GGA+U,C2/c,ABC4D_mC28_15_a_e_2f_c:Co-Li-O-Sn,28.0,ABC4D_mC28_15_a_e_2f_c:Co-Li-O-Sn +mp-753496,LiCoSnO4,-6.5349044807,-1.8472520005,0.0577870279,0.0577870279,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Li-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_h2i_c:Co-Li-O-Sn, expected LiCoSnO6 to be LiCoSnO4" +mp-780098,LiCoSnO4,-6.5234364343,-1.835783954,0.0692550743,0.0692550743,GGA+U,Imma,ABC4D_oI28_74_c_a_hi_b:Co-Li-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_c_a_4h3i_b:Co-Li-O-Sn, expected LiCoSnO14 to be LiCoSnO4" +mp-758081,LiCoSnO4,-6.4951330896,-1.8074806094,0.0975584189,0.0975584189,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Sn,28.0,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Sn +mp-1235264,LiMn4(CoO6)2,-7.4872629679,-1.5854795911,0.1171595554,0.1171595554,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Li-Mn-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Li-Mn-O +mp-1235243,LiMn4(CoO6)2,-7.4656732563,-1.5638898795,0.138749267,0.138749267,GGA+U,C2,A2BC4D12_mC38_5_c_a_2c_6c:Co-Li-Mn-O,19.0,"Invalid WP multiplicities - A2BC4D12_mC38_5_c_a_4c_12c:Co-Li-Mn-O, expected LiMn8(CoO12)2 to be LiMn4(CoO6)2" +mp-566593,Li2MnSn3O8,-6.7171059277000005,-2.1040997649,0.0459153549,0.0459153549,GGA+U,Cmc2_1,A2BC8D3_oC168_36_2a2b_ab_4a10b_a4b:Li-Mn-O-Sn,84.0,"Invalid WP multiplicities - A2BC8D3_oC168_36_3a6b_a2b_8a39b_a10b:Li-Mn-O-Sn, expected Li15Mn5Sn21O86 to be Li2MnSn3O8" +mp-1174020,Li3MnCoO5,-6.612755319,-1.9397007947,0.069776791,0.069776791,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174022,Li3MnCoO5,-6.615592322,-1.9425377977,0.066939788,0.066939788,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174052,Li3MnCoO5,-6.617225643,-1.9441711187,0.065306467,0.065306467,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174079,Li3MnCoO5,-6.6303537875,-1.9572992632,0.0521783225,0.0521783225,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174096,Li3MnCoO5,-6.576182325,-1.9031278007,0.106349785,0.106349785,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174101,Li3MnCoO5,-6.6315535915,-1.9584990672,0.0509785185,0.0509785185,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174118,Li3MnCoO5,-6.6195444995,-1.9464899752,0.0629876105,0.0629876105,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174144,Li3MnCoO5,-6.5632489745,-1.8901944502,0.1192831355,0.1192831355,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174159,Li3MnCoO5,-6.553200392,-1.8801458677,0.129331718,0.129331718,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174162,Li3MnCoO5,-6.569259016,-1.8962044917,0.113273094,0.113273094,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174178,Li3MnCoO5,-6.5992930395,-1.9262385152,0.0832390705,0.0832390705,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174180,Li3MnCoO5,-6.564762103,-1.8917075787,0.117770007,0.117770007,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174208,Li3MnCoO5,-6.5734475465,-1.9003930222,0.1090845635,0.1090845635,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174235,Li3MnCoO5,-6.5945128835,-1.9214583592,0.0880192265,0.0880192265,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174255,Li3MnCoO5,-6.565670133,-1.8926156087,0.116861977,0.116861977,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174268,Li3MnCoO5,-6.582099837,-1.9090453127,0.100432273,0.100432273,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O +mp-1306361,Li3MnCoO5,-6.5884264555000005,-1.9153719312,0.0941056545,0.0941056545,GGA+U,P1,AB3CD5_aP20_1_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_5_c_ab2c_c_5c:Co-Li-Mn-O +mp-1173955,Li3MnCoO5,-6.63021974,-1.9571652157,0.05231237,0.05231237,GGA+U,P-1,AB3CD5_aP20_2_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ac4i_i_10i:Co-Li-Mn-O, expected Li5MnCoO10 to be Li3MnCoO5" +mp-1173971,Li3MnCoO5,-6.5444229915,-1.8713684672,0.1381091185,0.1381091185,GGA+U,P-1,AB3CD5_aP20_2_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1173974,Li3MnCoO5,-6.563399552,-1.8903450277,0.119132558,0.119132558,GGA+U,P-1,AB3CD5_aP20_2_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ac4i_i_10i:Co-Li-Mn-O, expected Li5MnCoO10 to be Li3MnCoO5" +mp-1173984,Li3MnCoO5,-6.6334636775,-1.9604091532,0.0490684325,0.0490684325,GGA+U,P-1,AB3CD5_aP20_2_i_bc2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bc4i_i_9i:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-1173985,Li3MnCoO5,-6.5665782125,-1.8935236882,0.1159538975,0.1159538975,GGA+U,P-1,AB3CD5_aP20_2_i_bd2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bd3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1173998,Li3MnCoO5,-6.6288008855000005,-1.9557463612,0.0537312245,0.0537312245,GGA+U,P-1,AB3CD5_aP20_2_i_ae2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ae3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174010,Li3MnCoO5,-6.54480802,-1.8717534957,0.13772409,0.13772409,GGA+U,P-1,AB3CD5_aP20_2_i_bd2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bd3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174030,Li3MnCoO5,-6.5445364075,-1.8714818832,0.1379957025,0.1379957025,GGA+U,P-1,AB3CD5_aP20_2_i_bd2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bd4i_i_10i:Co-Li-Mn-O, expected Li5MnCoO10 to be Li3MnCoO5" +mp-1174047,Li3MnCoO5,-6.546379639,-1.8733251147,0.136152471,0.136152471,GGA+U,P-1,AB3CD5_aP20_2_i_ab2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ab4i_i_9i:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-1174056,Li3MnCoO5,-6.5444141185,-1.8713595942,0.1381179915,0.1381179915,GGA+U,P-1,AB3CD5_aP20_2_i_ae2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ae4i_i_9i:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-1174057,Li3MnCoO5,-6.6159583365,-1.9429038122,0.0665737735,0.0665737735,GGA+U,P-1,AB3CD5_aP20_2_i_be2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_be3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174097,Li3MnCoO5,-6.6081865615,-1.9351320372,0.0743455485,0.0743455485,GGA+U,P-1,AB3CD5_aP20_2_i_ae2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ae3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174117,Li3MnCoO5,-6.5902019880000005,-1.9171474637,0.092330122,0.092330122,GGA+U,P-1,AB3CD5_aP20_2_i_ac2i_i_5i:Co-Li-Mn-O,20.0,AB3CD5_aP20_2_i_ac2i_i_5i:Co-Li-Mn-O +mp-1174139,Li3MnCoO5,-6.6130160535,-1.9399615292,0.0695160565,0.0695160565,GGA+U,P-1,AB3CD5_aP20_2_i_bd2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bd3i_i_9i:Co-Li-Mn-O, expected Li4MnCoO9 to be Li3MnCoO5" +mp-1174188,Li3MnCoO5,-6.613048232,-1.9399937077,0.069483878,0.069483878,GGA+U,P-1,AB3CD5_aP20_2_i_ab2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_ab3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1372639,Li3MnCoO5,-5.076961432,-0.4039069077,1.605570678,1.605570678,GGA+U,P-1,AB3CD5_aP20_2_i_bc2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_aP20_2_i_bc3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174046,Li3MnCoO5,-6.626059971,-1.9530054467,0.056472139,0.056472139,GGA+U,C2,AB3CD5_mC40_5_2a_a5b_2a_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_5_2a_a5b_2a_10c:Co-Li-Mn-O, expected Li3MnCoO10 to be Li3MnCoO5" +mp-1174072,Li3MnCoO5,-6.6311488485,-1.9580943242,0.0513832615,0.0513832615,GGA+U,C2,AB3CD5_mC40_5_2a_a5b_2a_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_5_2a_a5b_2a_10c:Co-Li-Mn-O, expected Li3MnCoO10 to be Li3MnCoO5" +mp-1174066,Li3MnCoO5,-6.5848058505,-1.9117513262,0.0977262595,0.0977262595,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174150,Li3MnCoO5,-6.5683526475,-1.8952981232,0.1141794625,0.1141794625,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174168,Li3MnCoO5,-6.585587493,-1.9125329687,0.096944617,0.096944617,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174194,Li3MnCoO5,-6.528394132,-1.8553396077,0.154137978,0.154137978,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174195,Li3MnCoO5,-6.5394593775,-1.8664048532,0.1430727325,0.1430727325,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174200,Li3MnCoO5,-6.5820738655,-1.9090193412,0.1004582445,0.1004582445,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174226,Li3MnCoO5,-6.5770228265,-1.9039683022,0.1055092835,0.1055092835,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174234,Li3MnCoO5,-6.579506564,-1.9064520397,0.103025546,0.103025546,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174277,Li3MnCoO5,-6.5923101965,-1.9192556722,0.0902219135,0.0902219135,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174284,Li3MnCoO5,-6.5727939015,-1.8997393772,0.1097382085,0.1097382085,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174290,Li3MnCoO5,-6.4308970925,-1.7578425682,0.2516350175,0.2516350175,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1232448,Li3MnCoO5,-6.3920059595,-1.7189514352000002,0.2905261505,0.2905261505,GGA+U,Cm,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_mC40_8_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174029,Li3MnCoO5,-6.6215342175,-1.9484796932,0.0609978925,0.0609978925,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174053,Li3MnCoO5,-6.631169968,-1.9581154437,0.051362142,0.051362142,GGA+U,C2/m,AB3CD5_mC40_12_g_ad2h_g_i2j:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_g_ac3h_g_2i6j:Co-Li-Mn-O, expected Li4MnCoO14 to be Li3MnCoO5" +mp-1174064,Li3MnCoO5,-6.62548502,-1.9524304957,0.05704709,0.05704709,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174074,Li3MnCoO5,-6.589228906,-1.9161743817,0.093303204,0.093303204,GGA+U,C2/m,AB3CD5_mC40_12_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ad3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174075,Li3MnCoO5,-6.6162976645,-1.9432431402,0.0662344455,0.0662344455,GGA+U,C2/m,AB3CD5_mC40_12_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ad4i_i_9i:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-1174084,Li3MnCoO5,-6.5239194695,-1.8508649452,0.1586126405,0.1586126405,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac2i_i_10i:Co-Li-Mn-O, expected Li3MnCoO10 to be Li3MnCoO5" +mp-1174099,Li3MnCoO5,-6.6134950085,-1.9404404842,0.0690371015,0.0690371015,GGA+U,C2/m,AB3CD5_mC40_12_g_ad2h_g_i2j:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_g_ac4h_g_2i5j:Co-Li-Mn-O, expected Li5MnCoO12 to be Li3MnCoO5" +mp-1174102,Li3MnCoO5,-6.619008615,-1.9459540907,0.063523495,0.063523495,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174184,Li3MnCoO5,-6.5130471935,-1.8399926692,0.1694849165,0.1694849165,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac4i_i_9i:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-1174221,Li3MnCoO5,-6.466921557,-1.7938670327,0.215610553,0.215610553,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174240,Li3MnCoO5,-6.5729248955,-1.8998703712,0.1096072145,0.1096072145,GGA+U,C2/m,AB3CD5_mC40_12_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ad3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174247,Li3MnCoO5,-6.5822343865,-1.9091798622,0.1002977235,0.1002977235,GGA+U,C2/m,AB3CD5_mC40_12_i_ac2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ad3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174278,Li3MnCoO5,-6.572934377,-1.8998798527,0.109597733,0.109597733,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ad3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174306,Li3MnCoO5,-6.4631850285,-1.7901305042,0.2193470815,0.2193470815,GGA+U,C2/m,AB3CD5_mC40_12_i_ad2i_i_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_mC40_12_i_ac3i_i_10i:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174409,Li3MnCoO5,-6.445801768,-1.7727472437,0.236730342,0.236730342,GGA+U,R3m,AB3CD5_hR60_160_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_hR60_160_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174413,Li3MnCoO5,-6.4222481925,-1.7491936682,0.2602839175,0.2602839175,GGA+U,R3m,AB3CD5_hR60_160_2a_6a_2a_10a:Co-Li-Mn-O,20.0,AB3CD5_hR60_160_2a_6a_2a_10a:Co-Li-Mn-O +mp-1174206,Li3MnCoO5,-6.4099438445,-1.7368893202,0.2725882655,0.2725882655,GGA+U,R-3m,AB3CD5_hR60_166_c_ab2c_c_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_hR60_166_c_ab3c_c_10c:Co-Li-Mn-O, expected Li4MnCoO10 to be Li3MnCoO5" +mp-1174405,Li3MnCoO5,-6.4268589795,-1.7538044552,0.2556731305,0.2556731305,GGA+U,R-3m,AB3CD5_hR60_166_c_ab2c_c_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB3CD5_hR60_166_c_ab4c_c_9c:Co-Li-Mn-O, expected Li5MnCoO9 to be Li3MnCoO5" +mp-774397,Li4Mn2Co5O12,-6.957091385,-1.7022402737,0.0776776363,0.0776776363,GGA+U,P2_1,A5B4C2D12_mP46_4_5a_4a_2a_12a:Co-Li-Mn-O,46.0,"Invalid WP multiplicities - A5B4C2D12_mP46_4_10a_8a_3a_24a:Co-Li-Mn-O, expected Li8Mn3(Co5O12)2 to be Li4Mn2Co5O12" +mp-1174583,Li4MnCo2O7,-6.5516034314,-1.862948908,0.0731266957,0.0731266957,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174584,Li4MnCo2O7,-6.5410585057,-1.8524039823,0.0836716214,0.0836716214,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174585,Li4MnCo2O7,-6.5684958564,-1.879841333,0.0562342707,0.0562342707,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174591,Li4MnCo2O7,-6.5361860136,-1.8475314902,0.0885441136,0.0885441136,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174594,Li4MnCo2O7,-6.5430492914,-1.854394768,0.0816808357,0.0816808357,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174598,Li4MnCo2O7,-6.5402095679,-1.8515550445,0.0845205593,0.0845205593,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174599,Li4MnCo2O7,-6.5496817204,-1.861027197,0.0750484068,0.0750484068,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174602,Li4MnCo2O7,-6.5362843579,-1.8476298345,0.0884457693,0.0884457693,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174603,Li4MnCo2O7,-6.5444886982,-1.8558341748,0.0802414289,0.0802414289,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174606,Li4MnCo2O7,-6.5333715818,-1.8447170584,0.0913585454,0.0913585454,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174607,Li4MnCo2O7,-6.533721275,-1.8450667516,0.0910088521,0.0910088521,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174608,Li4MnCo2O7,-6.551637505,-1.8629829816,0.0730926221,0.0730926221,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174610,Li4MnCo2O7,-6.5313760732,-1.8427215498,0.0933540539,0.0933540539,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174611,Li4MnCo2O7,-6.5466424471,-1.8579879238,0.07808768,0.07808768,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174612,Li4MnCo2O7,-6.5414027218,-1.8527481984,0.0833274054,0.0833274054,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174614,Li4MnCo2O7,-6.5587029364,-1.870048413,0.0660271907,0.0660271907,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174621,Li4MnCo2O7,-6.5511328125,-1.8624782891,0.0735973146,0.0735973146,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174626,Li4MnCo2O7,-6.5365400925,-1.8478855691,0.0881900346,0.0881900346,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174628,Li4MnCo2O7,-6.5377237268,-1.8490692034,0.0870064004,0.0870064004,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174630,Li4MnCo2O7,-6.5250744632,-1.8364199398,0.0996556639,0.0996556639,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174631,Li4MnCo2O7,-6.5424843843,-1.8538298609,0.0822457429,0.0822457429,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174632,Li4MnCo2O7,-6.540154695,-1.8515001716,0.0845754321,0.0845754321,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174639,Li4MnCo2O7,-6.4926092579,-1.8039547345,0.1321208693,0.1321208693,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174644,Li4MnCo2O7,-6.5486180439,-1.8599635205,0.0761120832,0.0761120832,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174645,Li4MnCo2O7,-6.5397160346,-1.8510615113,0.0850140925,0.0850140925,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174668,Li4MnCo2O7,-6.5013597164,-1.812705193,0.1233704107,0.1233704107,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174670,Li4MnCo2O7,-6.5505420321,-1.8618875088,0.074188095,0.074188095,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174671,Li4MnCo2O7,-6.5520201246,-1.8633656013,0.0727100025,0.0727100025,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174672,Li4MnCo2O7,-6.5372524314,-1.848597908,0.0874776957,0.0874776957,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174674,Li4MnCo2O7,-6.5311893154,-1.842534792,0.0935408118,0.0935408118,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174676,Li4MnCo2O7,-6.5190499114,-1.830395388,0.1056802157,0.1056802157,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174678,Li4MnCo2O7,-6.4362114804,-1.747556957,0.1885186468,0.1885186468,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174682,Li4MnCo2O7,-6.5508291543,-1.8621746309,0.0739009729,0.0739009729,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174684,Li4MnCo2O7,-6.5042592504,-1.815604727,0.1204708768,0.1204708768,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174686,Li4MnCo2O7,-6.5513825164,-1.862727993,0.0733476107,0.0733476107,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174687,Li4MnCo2O7,-6.4187947379,-1.7301402145,0.2059353893,0.2059353893,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174692,Li4MnCo2O7,-6.5437582911,-1.8551037677,0.0809718361,0.0809718361,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174696,Li4MnCo2O7,-6.5529073593,-1.8642528359,0.0718227679,0.0718227679,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174697,Li4MnCo2O7,-6.5148612143,-1.8262066909,0.1098689129,0.1098689129,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174701,Li4MnCo2O7,-6.4894304786,-1.8007759552,0.1352996486,0.1352996486,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174702,Li4MnCo2O7,-6.5195984029,-1.8309438795,0.1051317243,0.1051317243,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174703,Li4MnCo2O7,-6.5181038086,-1.8294492852,0.1066263186,0.1066263186,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174704,Li4MnCo2O7,-6.5044355414,-1.815781018,0.1202945857,0.1202945857,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174706,Li4MnCo2O7,-6.5257245643,-1.8370700409,0.0990055629,0.0990055629,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174710,Li4MnCo2O7,-6.5165155707,-1.8278610473,0.1082145564,0.1082145564,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174714,Li4MnCo2O7,-6.5215668843,-1.8329123609,0.1031632429,0.1031632429,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174718,Li4MnCo2O7,-6.5015256343,-1.8128711109,0.1232044929,0.1232044929,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174720,Li4MnCo2O7,-6.3932396239,-1.7045851005,0.2314905032,0.2314905032,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174721,Li4MnCo2O7,-6.5132305889,-1.8245760655,0.1114995382,0.1114995382,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174725,Li4MnCo2O7,-6.4909403339,-1.8022858105,0.1337897932,0.1337897932,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174726,Li4MnCo2O7,-6.5119373054,-1.823282782,0.1127928218,0.1127928218,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174727,Li4MnCo2O7,-6.5227060179,-1.8340514945,0.1020241093,0.1020241093,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174729,Li4MnCo2O7,-6.5153513296,-1.8266968063,0.1093787975,0.1093787975,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174730,Li4MnCo2O7,-6.5022772136,-1.8136226902,0.1224529136,0.1224529136,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174731,Li4MnCo2O7,-6.5003011286,-1.8116466052,0.1244289986,0.1244289986,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174732,Li4MnCo2O7,-6.5161285436,-1.8274740202,0.1086015836,0.1086015836,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174738,Li4MnCo2O7,-6.4984065646,-1.8097520413,0.1263235625,0.1263235625,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174742,Li4MnCo2O7,-6.4947424764,-1.806087953,0.1299876507,0.1299876507,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174743,Li4MnCo2O7,-6.5112112964,-1.822556773,0.1135188307,0.1135188307,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174744,Li4MnCo2O7,-6.4806561336,-1.7920016102,0.1440739936,0.1440739936,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174745,Li4MnCo2O7,-6.5140904343,-1.8254359109,0.1106396929,0.1106396929,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174747,Li4MnCo2O7,-6.4960230143,-1.8073684909,0.1287071129,0.1287071129,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174748,Li4MnCo2O7,-6.5158011757,-1.8271466523,0.1089289514,0.1089289514,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174749,Li4MnCo2O7,-6.5112435546,-1.8225890313,0.1134865725,0.1134865725,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174751,Li4MnCo2O7,-6.4937482004,-1.805093677,0.1309819268,0.1309819268,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174753,Li4MnCo2O7,-6.3764297593,-1.6877752359,0.2483003679,0.2483003679,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174755,Li4MnCo2O7,-6.4972489564,-1.808594433,0.1274811707,0.1274811707,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174756,Li4MnCo2O7,-6.5135983621,-1.8249438388,0.111131765,0.111131765,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174757,Li4MnCo2O7,-6.4978873454,-1.809232822,0.1268427818,0.1268427818,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174759,Li4MnCo2O7,-6.5163988336,-1.8277443102,0.1083312936,0.1083312936,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174760,Li4MnCo2O7,-6.5316420475,-1.8429875241,0.0930880796,0.0930880796,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174762,Li4MnCo2O7,-6.5227330532,-1.8340785298,0.1019970739,0.1019970739,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174765,Li4MnCo2O7,-6.5176986607,-1.8290441373,0.1070314664,0.1070314664,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174767,Li4MnCo2O7,-6.46821383,-1.7795593066,0.1565162971,0.1565162971,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174769,Li4MnCo2O7,-6.4045410579,-1.7158865345,0.2201890693,0.2201890693,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174776,Li4MnCo2O7,-6.5137340354,-1.825079512,0.1109960918,0.1109960918,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174784,Li4MnCo2O7,-6.4882777807,-1.7996232573,0.1364523464,0.1364523464,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174785,Li4MnCo2O7,-6.5156335114,-1.826978988,0.1090966157,0.1090966157,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174794,Li4MnCo2O7,-6.4904608368,-1.8018063134,0.1342692904,0.1342692904,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1324966,Li4MnCo2O7,-4.7809140475,-0.0922595241,1.8438160796,1.8438160796,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1344252,Li4MnCo2O7,-4.7755696714,-0.086915148,1.8491604557,1.8491604557,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1371658,Li4MnCo2O7,-4.7985295682,-0.1098750448,1.8262005589,1.8262005589,GGA+U,P1,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_aP28_1_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174389,Li4MnCo2O7,-6.5470440364,-1.858389513,0.0776860907,0.0776860907,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_bd5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174393,Li4MnCo2O7,-6.5633358436,-1.8746813202,0.0613942836,0.0613942836,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174394,Li4MnCo2O7,-6.5660500154,-1.877395492,0.0586801118,0.0586801118,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ab6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174415,Li4MnCo2O7,-6.5047819736,-1.8161274502,0.1199481536,0.1199481536,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174418,Li4MnCo2O7,-6.5537159882000005,-1.8650614648,0.0710141389,0.0710141389,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174419,Li4MnCo2O7,-6.5345914218,-1.8459368984,0.0901387054,0.0901387054,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_be4i_i_14i:Co-Li-Mn-O, expected Li5Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174421,Li4MnCo2O7,-6.5531906357,-1.8645361123,0.0715394914,0.0715394914,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ae5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174423,Li4MnCo2O7,-6.5364695539,-1.8478150305,0.0882605732,0.0882605732,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174425,Li4MnCo2O7,-6.5542079357,-1.8655534123,0.0705221914,0.0705221914,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174432,Li4MnCo2O7,-6.5547371721,-1.8660826488,0.069992955,0.069992955,GGA+U,P-1,A2B4CD7_aP28_2_2i_bc3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bc5i_i_13i:Co-Li-Mn-O, expected Li6MnCo3O13 to be Li4MnCo2O7" +mp-1174433,Li4MnCo2O7,-6.5531163168,-1.8644617934,0.0716138104,0.0716138104,GGA+U,P-1,A2B4CD7_aP28_2_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ad6i_i_13i:Co-Li-Mn-O, expected Li7MnCo3O13 to be Li4MnCo2O7" +mp-1174434,Li4MnCo2O7,-6.5505471682,-1.8618926448,0.0741829589,0.0741829589,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_be4i_i_14i:Co-Li-Mn-O, expected Li5Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174437,Li4MnCo2O7,-6.5208874936,-1.8322329702,0.1038426336,0.1038426336,GGA+U,P-1,A2B4CD7_aP28_2_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ad4i_i_14i:Co-Li-Mn-O, expected Li5MnCo3O14 to be Li4MnCo2O7" +mp-1174441,Li4MnCo2O7,-6.5343561929,-1.8457016695,0.0903739343,0.0903739343,GGA+U,P-1,A2B4CD7_aP28_2_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ad5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174444,Li4MnCo2O7,-6.4993812589,-1.8107267355,0.1253488682,0.1253488682,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174448,Li4MnCo2O7,-6.5389678186,-1.8503132952,0.0857623086,0.0857623086,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_be5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174450,Li4MnCo2O7,-6.5361763964,-1.847521873,0.0885537307,0.0885537307,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ab5i_i_13i:Co-Li-Mn-O, expected Li6MnCo2O13 to be Li4MnCo2O7" +mp-1174455,Li4MnCo2O7,-6.50074574,-1.8120912166,0.1239843871,0.1239843871,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ac6i_i_14i:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174457,Li4MnCo2O7,-6.4961803686,-1.8075258452,0.1285497586,0.1285497586,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ab4i_i_14i:Co-Li-Mn-O, expected Li5MnCo3O14 to be Li4MnCo2O7" +mp-1174459,Li4MnCo2O7,-6.4965918811,-1.8079373577,0.1281382461,0.1281382461,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174460,Li4MnCo2O7,-6.5483545382,-1.8597000148,0.0763755889,0.0763755889,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_bd5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174464,Li4MnCo2O7,-6.4985763921,-1.8099218688,0.126153735,0.126153735,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174465,Li4MnCo2O7,-6.4912857904,-1.802631267,0.1334443368,0.1334443368,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd6i_i_13i:Co-Li-Mn-O, expected Li7MnCo3O13 to be Li4MnCo2O7" +mp-1174466,Li4MnCo2O7,-6.5101346511,-1.8214801277,0.1145954761,0.1145954761,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ac4i_i_14i:Co-Li-Mn-O, expected Li5Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174468,Li4MnCo2O7,-6.5380858179,-1.8494312945,0.0866443093,0.0866443093,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ae5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174471,Li4MnCo2O7,-6.5015746239,-1.8129201005,0.1231555032,0.1231555032,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac4i_i_14i:Co-Li-Mn-O, expected Li5MnCo3O14 to be Li4MnCo2O7" +mp-1174473,Li4MnCo2O7,-6.5304188714,-1.841764348,0.0943112557,0.0943112557,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174475,Li4MnCo2O7,-6.4998092525,-1.8111547291,0.1249208746,0.1249208746,GGA+U,P-1,A2B4CD7_aP28_2_2i_bc3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bc5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174476,Li4MnCo2O7,-6.5424731779,-1.8538186545,0.0822569493,0.0822569493,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ae5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174480,Li4MnCo2O7,-6.4988968746,-1.8102423513,0.1258332525,0.1258332525,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_bd5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174481,Li4MnCo2O7,-6.4986155596,-1.8099610363,0.1261145675,0.1261145675,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ac5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174482,Li4MnCo2O7,-6.4950461486,-1.8063916252,0.1296839786,0.1296839786,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ae6i_i_13i:Co-Li-Mn-O, expected Li7MnCo3O13 to be Li4MnCo2O7" +mp-1174486,Li4MnCo2O7,-6.4979617968,-1.8093072734,0.1267683304,0.1267683304,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ab5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174490,Li4MnCo2O7,-6.4901269275,-1.8014724041,0.1346031996,0.1346031996,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174491,Li4MnCo2O7,-6.4857831654,-1.797128642,0.1389469618,0.1389469618,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_be5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174497,Li4MnCo2O7,-6.4963864536,-1.8077319302,0.1283436736,0.1283436736,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_be5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174503,Li4MnCo2O7,-6.5390910268,-1.8504365034,0.0856391004,0.0856391004,GGA+U,P-1,A2B4CD7_aP28_2_2i_be3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_be5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174507,Li4MnCo2O7,-6.518842805,-1.8301882816,0.1058873221,0.1058873221,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ab5i_i_13i:Co-Li-Mn-O, expected Li6MnCo3O13 to be Li4MnCo2O7" +mp-1174517,Li4MnCo2O7,-6.4888344514,-1.800179928,0.1358956757,0.1358956757,GGA+U,P-1,A2B4CD7_aP28_2_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ac4i_i_14i:Co-Li-Mn-O, expected Li5MnCo3O14 to be Li4MnCo2O7" +mp-1174524,Li4MnCo2O7,-6.4883407075,-1.7996861841,0.1363894196,0.1363894196,GGA+U,P-1,A2B4CD7_aP28_2_2i_bc3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_bc5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174541,Li4MnCo2O7,-6.4900331796,-1.8013786563,0.1346969475,0.1346969475,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ae6i_i_13i:Co-Li-Mn-O, expected Li7MnCo3O13 to be Li4MnCo2O7" +mp-1174544,Li4MnCo2O7,-6.5161945225,-1.8275399991,0.1085356046,0.1085356046,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ab5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174561,Li4MnCo2O7,-6.4910207314,-1.802366208,0.1337093957,0.1337093957,GGA+U,P-1,A2B4CD7_aP28_2_2i_ab3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_3i_ab5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174568,Li4MnCo2O7,-6.4530196186,-1.7643650952,0.1717105086,0.1717105086,GGA+U,P-1,A2B4CD7_aP28_2_2i_ae3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ae5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1374732,Li4MnCo2O7,-4.760894405,-0.0722398816,1.8638357221,1.8638357221,GGA+U,P-1,A2B4CD7_aP28_2_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_ad5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1371062,Li4MnCo2O7,-4.5444271296,0.1442273937,2.0803029975,2.0803029975,GGA+U,P-1,A2B4CD7_aP28_2_2i_bd3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_aP28_2_2i_bd4i_i_14i:Co-Li-Mn-O, expected Li5Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174772,Li4MnCo2O7,-6.5250971568,-1.8364426334,0.0996329704,0.0996329704,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174773,Li4MnCo2O7,-6.5255346014,-1.836880078,0.0991955257,0.0991955257,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174780,Li4MnCo2O7,-6.5237914604,-1.835136937,0.1009386668,0.1009386668,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174782,Li4MnCo2O7,-6.5337830054,-1.845128482,0.0909471218,0.0909471218,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174783,Li4MnCo2O7,-6.4570912686,-1.7684367452,0.1676388586,0.1676388586,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174786,Li4MnCo2O7,-6.5732294821,-1.8845749588,0.051500645,0.051500645,GGA+U,C2,A2B4CD7_mC56_5_4a_a7b_2a_7c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_5_4a_a7b_2a_14c:Co-Li-Mn-O, expected Li4Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174318,Li4MnCo2O7,-6.5028208182,-1.8141662948,0.1219093089,0.1219093089,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174325,Li4MnCo2O7,-6.4786554154000005,-1.790000892,0.1460747118,0.1460747118,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174347,Li4MnCo2O7,-6.511837145,-1.8231826216,0.1128929821,0.1128929821,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174372,Li4MnCo2O7,-6.5118137629,-1.8231592395,0.1129163643,0.1129163643,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174381,Li4MnCo2O7,-6.4794143507,-1.7907598273,0.1453157764,0.1453157764,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174436,Li4MnCo2O7,-6.4194630621,-1.7308085388,0.205267065,0.205267065,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174447,Li4MnCo2O7,-6.4299234646,-1.7412689413,0.1948066625,0.1948066625,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174453,Li4MnCo2O7,-6.409783095,-1.7211285716,0.2149470321,0.2149470321,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174479,Li4MnCo2O7,-6.4905500018,-1.8018954784,0.1341801254,0.1341801254,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174529,Li4MnCo2O7,-6.4336178446,-1.7449633213,0.1911122825,0.1911122825,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174549,Li4MnCo2O7,-6.4298508725,-1.7411963491,0.1948792546,0.1948792546,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174667,Li4MnCo2O7,-6.4357711668,-1.7471166434,0.1889589604,0.1889589604,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174736,Li4MnCo2O7,-6.5182436975,-1.8295891741,0.1064864296,0.1064864296,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174790,Li4MnCo2O7,-6.5018669564,-1.813212433,0.1228631707,0.1228631707,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174792,Li4MnCo2O7,-6.3469203646,-1.6582658413,0.2778097625,0.2778097625,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174793,Li4MnCo2O7,-6.5257736907,-1.8371191673,0.0989564364,0.0989564364,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174799,Li4MnCo2O7,-6.5131466039,-1.8244920805,0.1115835232,0.1115835232,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174800,Li4MnCo2O7,-6.5112312846,-1.8225767613,0.1134988425,0.1134988425,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174802,Li4MnCo2O7,-6.5327162425,-1.8440617191,0.0920138846,0.0920138846,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174803,Li4MnCo2O7,-6.5273915243000005,-1.8387370009,0.0973386029,0.0973386029,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174806,Li4MnCo2O7,-6.5482322711,-1.8595777477,0.0764978561,0.0764978561,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174807,Li4MnCo2O7,-6.5081765304,-1.819522007,0.1165535968,0.1165535968,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174810,Li4MnCo2O7,-6.5166895339,-1.8280350105,0.1080405932,0.1080405932,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174814,Li4MnCo2O7,-6.5127416725,-1.8240871491,0.1119884546,0.1119884546,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174815,Li4MnCo2O7,-6.4894371168,-1.8007825934,0.1352930104,0.1352930104,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174817,Li4MnCo2O7,-6.492263775,-1.8036092516,0.1324663521,0.1324663521,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174819,Li4MnCo2O7,-6.5163732321,-1.8277187088,0.108356895,0.108356895,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174823,Li4MnCo2O7,-6.5358347857,-1.8471802623,0.0888953414,0.0888953414,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174824,Li4MnCo2O7,-6.507326995,-1.8186724716,0.1174031321,0.1174031321,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174825,Li4MnCo2O7,-6.5381520025,-1.8494974791,0.0865781246,0.0865781246,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174831,Li4MnCo2O7,-6.5119456532,-1.8232911298,0.1127844739,0.1127844739,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174832,Li4MnCo2O7,-6.5210962521,-1.8324417288,0.103633875,0.103633875,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174833,Li4MnCo2O7,-6.3729260379,-1.6842715145,0.2518040893,0.2518040893,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174836,Li4MnCo2O7,-6.5300841564,-1.841429633,0.0946459707,0.0946459707,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174840,Li4MnCo2O7,-6.5151890236,-1.8265345002,0.1095411036,0.1095411036,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174841,Li4MnCo2O7,-6.5087627282,-1.8201082048,0.1159673989,0.1159673989,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174842,Li4MnCo2O7,-6.4932398857,-1.8045853623,0.1314902414,0.1314902414,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174844,Li4MnCo2O7,-6.5232897543,-1.8346352309,0.1014403729,0.1014403729,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174845,Li4MnCo2O7,-6.3907766143,-1.7021220909,0.2339535129,0.2339535129,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174846,Li4MnCo2O7,-6.5223360954,-1.833681572,0.1023940318,0.1023940318,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174850,Li4MnCo2O7,-6.5182367207,-1.8295821973,0.1064934064,0.1064934064,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174862,Li4MnCo2O7,-6.2720514496,-1.5833969263,0.3526786775,0.3526786775,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174870,Li4MnCo2O7,-6.5004158714,-1.811761348,0.1243142557,0.1243142557,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174873,Li4MnCo2O7,-6.5135505357,-1.8248960123,0.1111795914,0.1111795914,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174882,Li4MnCo2O7,-6.4825230729,-1.7938685495,0.1422070543,0.1422070543,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174883,Li4MnCo2O7,-6.5216599243,-1.8330054009,0.1030702029,0.1030702029,GGA+U,Cm,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O,28.0,A2B4CD7_mC56_8_4a_8a_2a_14a:Co-Li-Mn-O +mp-1174531,Li4MnCo2O7,-6.5595820443,-1.8709275209,0.0651480829,0.0651480829,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac3i_i_14i:Co-Li-Mn-O, expected Li4MnCo3O14 to be Li4MnCo2O7" +mp-1174534,Li4MnCo2O7,-6.5572785175,-1.8686239941,0.0674516096,0.0674516096,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ac5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174536,Li4MnCo2O7,-6.5553420925,-1.8666875691,0.0693880346,0.0693880346,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174542,Li4MnCo2O7,-6.5554435071,-1.8667889838,0.06928662,0.06928662,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac5i_i_13i:Co-Li-Mn-O, expected Li6MnCo3O13 to be Li4MnCo2O7" +mp-1174548,Li4MnCo2O7,-6.5172681104,-1.828613587,0.1074620168,0.1074620168,GGA+U,C2/m,A2B4CD7_mC56_12_2g_ad3h_g_i3j:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3g_ac5h_g_2i10j:Co-Li-Mn-O, expected Li6MnCo3O22 to be Li4MnCo2O7" +mp-1174556,Li4MnCo2O7,-6.5640277329,-1.8753732095,0.0607023943,0.0607023943,GGA+U,C2/m,A2B4CD7_mC56_12_2g_ad3h_g_i3j:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3g_ac5h_g_2i10j:Co-Li-Mn-O, expected Li6MnCo3O22 to be Li4MnCo2O7" +mp-1174562,Li4MnCo2O7,-6.4242251854,-1.7355706620000002,0.2005049418,0.2005049418,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ad5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174564,Li4MnCo2O7,-6.4923610961,-1.8037065727,0.1323690311,0.1323690311,GGA+U,C2/m,A2B4CD7_mC56_12_2g_ad3h_g_i3j:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2g_ac5h_g_2i10j:Co-Li-Mn-O, expected Li6Mn(CoO11)2 to be Li4MnCo2O7" +mp-1174566,Li4MnCo2O7,-6.5606551329,-1.8720006095,0.0640749943,0.0640749943,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174574,Li4MnCo2O7,-6.4778903786,-1.7892358552,0.1468397486,0.1468397486,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174575,Li4MnCo2O7,-6.5255896879,-1.8369351645,0.0991404393,0.0991404393,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174579,Li4MnCo2O7,-6.5184686425,-1.8298141191,0.1062614846,0.1062614846,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174580,Li4MnCo2O7,-6.5160310761,-1.8273765527,0.1086990511,0.1086990511,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ac5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174581,Li4MnCo2O7,-6.5563871675000005,-1.8677326441,0.0683429596,0.0683429596,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174586,Li4MnCo2O7,-6.5180896929,-1.8294351695,0.1066404343,0.1066404343,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ad5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174588,Li4MnCo2O7,-6.4831439929,-1.7944894695,0.1415861343,0.1415861343,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac6i_i_14i:Co-Li-Mn-O, expected Li7MnCo3O14 to be Li4MnCo2O7" +mp-1174592,Li4MnCo2O7,-6.4944314,-1.8057768766,0.1302987271,0.1302987271,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174593,Li4MnCo2O7,-6.4775845236,-1.7889300002,0.1471456036,0.1471456036,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174600,Li4MnCo2O7,-6.5166924386,-1.8280379152,0.1080376886,0.1080376886,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad4i_i_14i:Co-Li-Mn-O, expected Li5MnCo3O14 to be Li4MnCo2O7" +mp-1174613,Li4MnCo2O7,-6.5017807857,-1.8131262623,0.1229493414,0.1229493414,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ad5i_i_13i:Co-Li-Mn-O, expected Li6MnCo2O13 to be Li4MnCo2O7" +mp-1174623,Li4MnCo2O7,-6.4408422118,-1.7521876884,0.1838879154,0.1838879154,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ac5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174640,Li4MnCo2O7,-6.4843252807,-1.7956707573,0.1404048464,0.1404048464,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174643,Li4MnCo2O7,-6.4431324686,-1.7544779452,0.1815976586,0.1815976586,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-1174650,Li4MnCo2O7,-6.4109896682,-1.7223351448000002,0.2137404589,0.2137404589,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ac3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_2i_ac5i_i_14i:Co-Li-Mn-O, expected Li6Mn(CoO7)2 to be Li4MnCo2O7" +mp-1174664,Li4MnCo2O7,-6.4725255893,-1.7838710659,0.1522045379,0.1522045379,GGA+U,C2/m,A2B4CD7_mC56_12_2i_ad3i_i_7i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B4CD7_mC56_12_3i_ad5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo2O7" +mp-753328,Li5Mn3(CoO5)2,-6.954790482,-1.9190813364,0.078472563,0.078472563,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ci_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Co-Li-Mn-O, expected Li9Mn3(CoO9)2 to be Li5Mn3(CoO5)2" +mp-801720,Li5Mn3(CoO5)2,-3.7829094805,1.2527996651,3.2503535645,3.2503535645,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ci_5i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Co-Li-Mn-O, expected Li9Mn3(CoO9)2 to be Li5Mn3(CoO5)2" +mp-36884,Mn2SnO4,-8.0884258636,-2.0712319658,0.0,-0.0165185757,GGA+U,Imma,A2B4C_oI28_74_ae_hi_c:Mn-O-Sn,14.0,A2B4C_oI28_74_ae_hi_c:Mn-O-Sn +mp-773184,Li2MnSnO4,-6.7208511775,-2.1238277118,0.0401282778,0.0401282778,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Mn-O-Sn,16.0,A2BC4D_mC32_15_ac_b_2f_d:Li-Mn-O-Sn +mp-755365,Li2MnSnO4,-6.7369334256,-2.1399099599,0.0240460297,0.0240460297,GGA+U,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Li-Mn-O-Sn,32.0,A2BC4D_tI16_119_ac_b_ef_d:Li-Mn-O-Sn +mp-757467,Mn5SnO12,-7.8526521722,-1.7871014583,0.0698520218,0.0698520218,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Mn-O-Sn,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2gh_4i5j_c:Mn-O-Sn, expected Mn7SnO28 to be Mn5SnO12" +mp-767308,Mn21Sn9O40,-8.0837137547,-1.9929135222,0.0763088736,0.0763088736,GGA+U,I-4,A21B40C9_tI140_82_a5g_10g_c2g:Mn-O-Sn,70.0,"Invalid WP multiplicities - A21B40C9_tI140_82_a16g_38g_c5g:Mn-O-Sn, expected Mn65Sn21O152 to be Mn21Sn9O40" +mp-759545,Li7Mn3Co3O16,-6.6403823466,-1.7672623911,0.0799962867,0.0799962867,GGA+U,Cm,A3B7C3D16_mC58_8_ab_5ab_ab_8a4b:Co-Li-Mn-O,29.0,"Invalid WP multiplicities - A3B7C3D16_mC58_8_ab_5a2b_ab_8a7b:Co-Li-Mn-O, expected Li9Mn3Co3O22 to be Li7Mn3Co3O16" +mp-1370917,Li5Mn3(SnO5)2,-5.384594475,-0.6587599234,1.5045060905,1.5045060905,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ei_5i_i:Li-Mn-O-Sn,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_ei_9i_i:Li-Mn-O-Sn, expected Li9Mn3(SnO9)2 to be Li5Mn3(SnO5)2" +mp-1174885,Li7Mn4CoO12,-6.9109620642,-2.0576660823,0.0450646568,0.0450646568,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175184,Li7Mn4CoO12,-6.9173551592,-2.0640591773,0.0386715618,0.0386715618,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175186,Li7Mn4CoO12,-6.9148478325,-2.0615518506,0.0411788884,0.0411788884,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175187,Li7Mn4CoO12,-6.9339220508,-2.080626069,0.0221046701,0.0221046701,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175194,Li7Mn4CoO12,-6.9104175233,-2.0571215415,0.0456091976,0.0456091976,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175195,Li7Mn4CoO12,-6.9260956483000005,-2.0727996665,0.0299310726,0.0299310726,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175198,Li7Mn4CoO12,-6.9241984533,-2.0709024715,0.0318282676,0.0318282676,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175199,Li7Mn4CoO12,-6.9182723313,-2.0649763494,0.0377543897,0.0377543897,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175201,Li7Mn4CoO12,-6.8998687133,-2.0465727315,0.0561580076,0.0561580076,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175202,Li7Mn4CoO12,-6.8981895471,-2.0448935652,0.0578371739,0.0578371739,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175203,Li7Mn4CoO12,-6.917028415,-2.0637324331,0.0389983059,0.0389983059,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175206,Li7Mn4CoO12,-6.9189990871,-2.0657031052,0.0370276339,0.0370276339,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175214,Li7Mn4CoO12,-6.9242368662,-2.0709408844,0.0317898547,0.0317898547,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175215,Li7Mn4CoO12,-6.9057329271,-2.0524369452,0.0502937939,0.0502937939,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175216,Li7Mn4CoO12,-6.9012508979,-2.047954916,0.054775823,0.054775823,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175217,Li7Mn4CoO12,-6.9182702579,-2.064974276,0.037756463,0.037756463,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175219,Li7Mn4CoO12,-6.9209833417,-2.0676873598,0.0350433793,0.0350433793,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175221,Li7Mn4CoO12,-6.9034086942,-2.0501127123,0.0526180268,0.0526180268,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175222,Li7Mn4CoO12,-6.9165032554,-2.0632072735,0.0395234655,0.0395234655,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175226,Li7Mn4CoO12,-6.9193396417,-2.0660436598,0.0366870793,0.0366870793,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175230,Li7Mn4CoO12,-6.9178007312,-2.0645047494,0.0382259897,0.0382259897,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175239,Li7Mn4CoO12,-6.9113259496,-2.0580299677,0.0447007714,0.0447007714,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175243,Li7Mn4CoO12,-6.8911672717,-2.0378712898,0.0648594493,0.0648594493,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175244,Li7Mn4CoO12,-6.8986272825,-2.0453313006,0.0573994384,0.0573994384,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175245,Li7Mn4CoO12,-6.9128177875,-2.0595218056,0.0432089334,0.0432089334,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175246,Li7Mn4CoO12,-6.9093019775,-2.0560059956,0.0467247434,0.0467247434,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175250,Li7Mn4CoO12,-6.6542938887,-1.8009979069000002,0.3017328322,0.3017328322,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175251,Li7Mn4CoO12,-6.8666194912,-2.0133235094,0.0894072297,0.0894072297,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175252,Li7Mn4CoO12,-6.8960800658,-2.042784084,0.0599466551,0.0599466551,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175253,Li7Mn4CoO12,-6.89525495,-2.0419589681,0.0607717709,0.0607717709,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175254,Li7Mn4CoO12,-6.8765939658,-2.023297984,0.0794327551,0.0794327551,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175255,Li7Mn4CoO12,-6.8718779833,-2.0185820015,0.0841487376,0.0841487376,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175256,Li7Mn4CoO12,-6.8964930296,-2.0431970477,0.0595336914,0.0595336914,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175259,Li7Mn4CoO12,-6.8959768317000005,-2.0426808498,0.0600498893,0.0600498893,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175262,Li7Mn4CoO12,-6.8668296892,-2.0135337073,0.0891970318,0.0891970318,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175263,Li7Mn4CoO12,-6.8936431775,-2.0403471956,0.0623835434,0.0623835434,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175264,Li7Mn4CoO12,-6.8986637529,-2.045367771,0.057362968,0.057362968,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175273,Li7Mn4CoO12,-6.8632050454,-2.0099090635,0.0928216755,0.0928216755,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175276,Li7Mn4CoO12,-6.8635564904,-2.0102605085,0.0924702305,0.0924702305,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175283,Li7Mn4CoO12,-6.8727951213,-2.0194991394,0.0832315997,0.0832315997,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175285,Li7Mn4CoO12,-6.8606740779,-2.007378096,0.095352643,0.095352643,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175286,Li7Mn4CoO12,-6.8735026292,-2.0202066473,0.0825240918,0.0825240918,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175287,Li7Mn4CoO12,-6.8687738829,-2.015477901,0.087252838,0.087252838,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175289,Li7Mn4CoO12,-6.8620109129,-2.008714931,0.094015808,0.094015808,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175291,Li7Mn4CoO12,-6.8722960779,-2.019000096,0.083730643,0.083730643,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175297,Li7Mn4CoO12,-6.8637976033,-2.0105016215,0.0922291176,0.0922291176,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1175301,Li7Mn4CoO12,-6.8722195642,-2.0189235823,0.0838071568,0.0838071568,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1651188,Li7Mn4CoO12,-6.9321588023,-2.0788628204,0.0238679186,0.0238679186,GGA+U,P1,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O,48.0,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O +mp-1651930,Li7Mn4CoO12,-6.8931558104,-2.0398598285,0.0628709105,0.0628709105,GGA+U,P1,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O,48.0,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O +mp-1667122,Li7Mn4CoO12,-6.9298196248,-2.0765236429,0.0262070961,0.0262070961,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP24_1_a_7a_8a_12a:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1666339,Li7Mn4CoO12,-6.9365386283,-2.0832426465,0.0194880926,0.0194880926,GGA+U,P1,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_aP24_1_a_7a_4a_12a:Co-Li-Mn-O +mp-1977436,Li7Mn4CoO12,-6.917359506,-2.0640635242,0.0386672149,0.0386672149,GGA+U,P1,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O,48.0,AB7C4D12_aP48_1_2a_14a_8a_24a:Co-Li-Mn-O +mp-1175125,Li7Mn4CoO12,-6.9260500956,-2.0727541138,0.0299766253,0.0299766253,GGA+U,P-1,AB7C4D12_aP24_2_b_d3i_2i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_b_d3i_4i_6i:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1175141,Li7Mn4CoO12,-6.936069096,-2.0827731142,0.0199576249,0.0199576249,GGA+U,P-1,AB7C4D12_aP48_2_bd_ch6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_bd_ch9i_7i_21i:Co-Li-Mn-O, expected Li10Mn7CoO21 to be Li7Mn4CoO12" +mp-1175148,Li7Mn4CoO12,-6.9311269577,-2.0778309758,0.0248997632,0.0248997632,GGA+U,P-1,AB7C4D12_aP48_2_ab_eh6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ab_eh9i_6i_18i:Co-Li-Mn-O, expected Li10Mn6CoO18 to be Li7Mn4CoO12" +mp-1175149,Li7Mn4CoO12,-6.9210553133,-2.0677593315,0.0349714076,0.0349714076,GGA+U,P-1,AB7C4D12_aP24_2_a_cde2i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_a_cde4i_2i_12i:Co-Li-Mn-O, expected Li11Mn4CoO24 to be Li7Mn4CoO12" +mp-1175153,Li7Mn4CoO12,-6.9189322683,-2.0656362865,0.0370944526,0.0370944526,GGA+U,P-1,AB7C4D12_aP24_2_a_d3i_2i_6i:Co-Li-Mn-O,48.0,AB7C4D12_aP24_2_a_d3i_2i_6i:Co-Li-Mn-O +mp-1175158,Li7Mn4CoO12,-6.921751335,-2.0684553531,0.0342753859,0.0342753859,GGA+U,P-1,AB7C4D12_aP24_2_a_c3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_a_c6i_2i_12i:Co-Li-Mn-O, expected Li13Mn4CoO24 to be Li7Mn4CoO12" +mp-1175159,Li7Mn4CoO12,-6.9128636079,-2.059567626,0.043163113,0.043163113,GGA+U,P-1,AB7C4D12_aP24_2_a_c3i_2i_6i:Co-Li-Mn-O,24.0,AB7C4D12_aP24_2_a_c3i_2i_6i:Co-Li-Mn-O +mp-1175160,Li7Mn4CoO12,-6.9174322777,-2.0641362958,0.0385944432,0.0385944432,GGA+U,P-1,AB7C4D12_aP24_2_a_cde2i_2i_6i:Co-Li-Mn-O,48.0,AB7C4D12_aP24_2_a_cde2i_2i_6i:Co-Li-Mn-O +mp-1175161,Li7Mn4CoO12,-6.9208856798,-2.0675896979,0.0351410411,0.0351410411,GGA+U,P-1,AB7C4D12_aP24_2_a_cfh2i_2i_6i:Co-Li-Mn-O,48.0,AB7C4D12_aP24_2_a_cfh2i_2i_6i:Co-Li-Mn-O +mp-1175164,Li7Mn4CoO12,-6.8935916117,-2.0402956298,0.0624351093,0.0624351093,GGA+U,P-1,AB7C4D12_aP48_2_ad_bcefgh4i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ad_bcefgh7i_7i_19i:Co-Li-Mn-O, expected Li10Mn7CoO19 to be Li7Mn4CoO12" +mp-1175169,Li7Mn4CoO12,-6.9190255692,-2.0657295873,0.0370011518,0.0370011518,GGA+U,P-1,AB7C4D12_aP24_2_a_cde2i_2i_6i:Co-Li-Mn-O,24.0,AB7C4D12_aP24_2_a_cde2i_2i_6i:Co-Li-Mn-O +mp-1175170,Li7Mn4CoO12,-6.8982058346,-2.0449098527,0.0578208864,0.0578208864,GGA+U,P-1,AB7C4D12_aP48_2_ad_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ad_12i_7i_20i:Co-Li-Mn-O, expected Li12Mn7CoO20 to be Li7Mn4CoO12" +mp-1175171,Li7Mn4CoO12,-6.8950739846,-2.0417780027,0.0609527364,0.0609527364,GGA+U,P-1,AB7C4D12_aP24_2_b_d3i_2i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_b_d3i_4i_6i:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1175172,Li7Mn4CoO12,-6.8956646183,-2.0423686365,0.0603621026,0.0603621026,GGA+U,P-1,AB7C4D12_aP24_2_b_e3i_2i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_b_e3i_4i_6i:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1175175,Li7Mn4CoO12,-6.8965711029,-2.043275121,0.059455618,0.059455618,GGA+U,P-1,AB7C4D12_aP24_2_a_b3i_2i_6i:Co-Li-Mn-O,24.0,AB7C4D12_aP24_2_a_b3i_2i_6i:Co-Li-Mn-O +mp-1175183,Li7Mn4CoO12,-6.9001053379,-2.046809356,0.055921383,0.055921383,GGA+U,P-1,AB7C4D12_aP48_2_ad_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ad_10i_8i_22i:Co-Li-Mn-O, expected Li10Mn8CoO22 to be Li7Mn4CoO12" +mp-1175191,Li7Mn4CoO12,-6.8939918367,-2.0406958548,0.0620348843,0.0620348843,GGA+U,P-1,AB7C4D12_aP48_2_ad_ce6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ad_ce9i_4i_18i:Co-Li-Mn-O, expected Li10Mn4CoO18 to be Li7Mn4CoO12" +mp-1175204,Li7Mn4CoO12,-6.9048924994,-2.0515965175,0.0511342216,0.0511342216,GGA+U,P-1,AB7C4D12_aP48_2_ac_fh6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ac_fh10i_6i_22i:Co-Li-Mn-O, expected Li11Mn6CoO22 to be Li7Mn4CoO12" +mp-1175210,Li7Mn4CoO12,-6.8387590483,-1.9854630665,0.1172676726,0.1172676726,GGA+U,P-1,AB7C4D12_aP24_2_a_beh2i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_a_beh4i_2i_12i:Co-Li-Mn-O, expected Li11Mn4CoO24 to be Li7Mn4CoO12" +mp-1175225,Li7Mn4CoO12,-6.681595765,-1.8282997831,0.2744309559,0.2744309559,GGA+U,P-1,AB7C4D12_aP24_2_b_c3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_b_c4i_2i_12i:Co-Li-Mn-O, expected Li9Mn4CoO24 to be Li7Mn4CoO12" +mp-1175242,Li7Mn4CoO12,-6.8468288758,-1.993532894,0.1091978451,0.1091978451,GGA+U,P-1,AB7C4D12_aP24_2_a_e3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_aP24_2_a_e6i_2i_12i:Co-Li-Mn-O, expected Li13Mn4CoO24 to be Li7Mn4CoO12" +mp-1641408,Li7Mn4CoO12,-6.9122791096,-2.0589831277,0.0437476114,0.0437476114,GGA+U,P-1,AB7C4D12_aP24_2_a_c3i_2i_6i:Co-Li-Mn-O,24.0,AB7C4D12_aP24_2_a_c3i_2i_6i:Co-Li-Mn-O +mp-1641094,Li7Mn4CoO12,-6.8964840944,-2.0431881125,0.0595426266,0.0595426266,GGA+U,P-1,AB7C4D12_aP48_2_ag_bc6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ag_bc9i_4i_23i:Co-Li-Mn-O, expected Li10Mn4CoO23 to be Li7Mn4CoO12" +mp-1639498,Li7Mn4CoO12,-6.8949722754,-2.0416762935,0.0610544455,0.0610544455,GGA+U,P-1,AB7C4D12_aP48_2_af_ch6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_af_ch12i_8i_22i:Co-Li-Mn-O, expected Li13Mn8CoO22 to be Li7Mn4CoO12" +mp-1645043,Li7Mn4CoO12,-6.924489344,-2.0711933621,0.031537377,0.031537377,GGA+U,P-1,AB7C4D12_aP48_2_bh_cd6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_bh_cd11i_7i_22i:Co-Li-Mn-O, expected Li12Mn7CoO22 to be Li7Mn4CoO12" +mp-1643277,Li7Mn4CoO12,-6.9170625262000005,-2.0637665444,0.0389641947,0.0389641947,GGA+U,P-1,AB7C4D12_aP48_2_ah_cf6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ah_cf11i_8i_22i:Co-Li-Mn-O, expected Li12Mn8CoO22 to be Li7Mn4CoO12" +mp-1650226,Li7Mn4CoO12,-6.9335891515,-2.0802931696,0.0224375695,0.0224375695,GGA+U,P-1,AB7C4D12_aP48_2_i_abdf5i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_i_abdf9i_7i_24i:Co-Li-Mn-O, expected Li11Mn7CoO24 to be Li7Mn4CoO12" +mp-1640193,Li7Mn4CoO12,-6.8919161421,-2.0386201602,0.0641105789,0.0641105789,GGA+U,P-1,AB7C4D12_aP48_2_bd_ch6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_bd_ch11i_8i_22i:Co-Li-Mn-O, expected Li12Mn8CoO22 to be Li7Mn4CoO12" +mp-1645663,Li7Mn4CoO12,-6.8937139977,-2.0404180158,0.0623127232,0.0623127232,GGA+U,P-1,AB7C4D12_aP48_2_be_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_be_12i_7i_22i:Co-Li-Mn-O, expected Li12Mn7CoO22 to be Li7Mn4CoO12" +mp-1647854,Li7Mn4CoO12,-6.8946534254,-2.0413574435,0.0613732955,0.0613732955,GGA+U,P-1,AB7C4D12_aP48_2_bc_dh6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_bc_dh9i_4i_22i:Co-Li-Mn-O, expected Li10Mn4CoO22 to be Li7Mn4CoO12" +mp-1640232,Li7Mn4CoO12,-6.8948367902,-2.0415408083,0.0611899307,0.0611899307,GGA+U,P-1,AB7C4D12_aP48_2_be_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_be_12i_8i_22i:Co-Li-Mn-O, expected Li12Mn8CoO22 to be Li7Mn4CoO12" +mp-1639368,Li7Mn4CoO12,-6.9244755063,-2.0711795244,0.0315512147,0.0315512147,GGA+U,P-1,AB7C4D12_aP48_2_ab_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ab_13i_8i_23i:Co-Li-Mn-O, expected Li13Mn8CoO23 to be Li7Mn4CoO12" +mp-1667712,Li7Mn4CoO12,-6.9176532242,-2.0643572423,0.0383734968,0.0383734968,GGA+U,P-1,AB7C4D12_aP48_2_be_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_be_11i_7i_22i:Co-Li-Mn-O, expected Li11Mn7CoO22 to be Li7Mn4CoO12" +mp-1666320,Li7Mn4CoO12,-6.9144790352,-2.0611830533,0.0415476857,0.0415476857,GGA+U,P-1,AB7C4D12_aP48_2_af_bd6i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_af_bd9i_4i_18i:Co-Li-Mn-O, expected Li10Mn4CoO18 to be Li7Mn4CoO12" +mp-1666476,Li7Mn4CoO12,-6.9242564142,-2.0709604323,0.0317703068,0.0317703068,GGA+U,P-1,AB7C4D12_aP48_2_bd_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_bd_12i_4i_22i:Co-Li-Mn-O, expected Li12Mn4CoO22 to be Li7Mn4CoO12" +mp-1666595,Li7Mn4CoO12,-6.8908771102,-2.0375811283,0.0651496107,0.0651496107,GGA+U,P-1,AB7C4D12_aP48_2_bc_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_be_12i_4i_22i:Co-Li-Mn-O, expected Li12Mn4CoO22 to be Li7Mn4CoO12" +mp-1977420,Li7Mn4CoO12,-6.8917900954,-2.0384941135,0.0642366255,0.0642366255,GGA+U,P-1,AB7C4D12_aP48_2_be_7i_4i_12i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_aP48_2_ae_13i_8i_24i:Co-Li-Mn-O, expected Li13Mn8CoO24 to be Li7Mn4CoO12" +mp-1175272,Li7Mn4CoO12,-6.9151275096,-2.0618315277,0.0408992114,0.0408992114,GGA+U,P2,AB7C4D12_mP24_3_a_a3c3d_a3b_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mP24_3_a_a3b3c_a3d_12e:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175274,Li7Mn4CoO12,-6.9103826113,-2.0570866294,0.0456441097,0.0456441097,GGA+U,P2,AB7C4D12_mP24_3_a_b3c3d_2a2b_6e:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mP24_3_a_3b3cd_2a2d_12e:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1653341,Li7Mn4CoO12,-6.9320387904,-2.0787428085,0.0239879305,0.0239879305,GGA+U,P2,AB7C4D12_mP48_3_ab_cd6e_2a2b2c2d_12e:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mP48_3_ad_bc12e_2a2b2c2d_24e:Co-Li-Mn-O, expected Li13Mn4CoO24 to be Li7Mn4CoO12" +mp-1175265,Li7Mn4CoO12,-6.9114629392,-2.0581669573,0.0445637818,0.0445637818,GGA+U,C2,AB7C4D12_mC48_5_a_a3c_a3b_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_5_a_a3c_a3b_12c:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175266,Li7Mn4CoO12,-6.7541177154,-1.9008217335,0.2019090055,0.2019090055,GGA+U,C2,AB7C4D12_mC48_5_a_b3c_2a2b_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_5_a_b3c_2a2b_12c:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175269,Li7Mn4CoO12,-6.935212665,-2.0819166831,0.0208140559,0.0208140559,GGA+U,C2,AB7C4D12_mC48_5_a_b3c_2a2b_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_5_a_b3c_2a2b_12c:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175270,Li7Mn4CoO12,-6.8983877454,-2.0450917635,0.0576389755,0.0576389755,GGA+U,C2,AB7C4D12_mC48_5_a_a3c_a3b_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_5_a_a3c_a3b_12c:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1650471,Li7Mn4CoO12,-6.9283805827,-2.0750846008,0.0276461382,0.0276461382,GGA+U,C2,AB7C4D12_mC96_5_2a_2b6c_4a4b_12c:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_5_2a_2b6c_4a4b_22c:Co-Li-Mn-O, expected Li7Mn4CoO22 to be Li7Mn4CoO12" +mp-1175298,Li7Mn4CoO12,-6.8655091437,-2.0122131619,0.0905175772,0.0905175772,GGA+U,Pm,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O +mp-1175300,Li7Mn4CoO12,-6.893205425,-2.0399094431,0.0628212959,0.0628212959,GGA+U,Pm,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O +mp-1175302,Li7Mn4CoO12,-6.8928304158,-2.039534434,0.0631963051,0.0631963051,GGA+U,Pm,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O +mp-1175303,Li7Mn4CoO12,-6.8651155396,-2.0118195577,0.0909111814,0.0909111814,GGA+U,Pm,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O +mp-1175307,Li7Mn4CoO12,-6.8814212104,-2.0281252285,0.0746055105,0.0746055105,GGA+U,Pm,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O +mp-1175309,Li7Mn4CoO12,-6.8851330058,-2.031837024,0.0708937151,0.0708937151,GGA+U,Pm,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O +mp-1175320,Li7Mn4CoO12,-6.87500052,-2.0217045381,0.0810262009,0.0810262009,GGA+U,Pm,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_3a4b_2a2b_6a6b:Co-Li-Mn-O +mp-1175329,Li7Mn4CoO12,-6.6996123608,-1.846316379,0.2564143601,0.2564143601,GGA+U,Pm,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O,24.0,AB7C4D12_mP24_6_a_4a3b_a3b_6a6b:Co-Li-Mn-O +mp-1667092,Li7Mn4CoO12,-6.8932809717,-2.0399849898,0.0627457493,0.0627457493,GGA+U,Pm,AB7C4D12_mP48_6_2a_6a8b_4a4b_12a12b:Co-Li-Mn-O,48.0,AB7C4D12_mP48_6_2a_6a8b_4a4b_12a12b:Co-Li-Mn-O +mp-1175284,Li7Mn4CoO12,-6.8820507804,-2.0287547985,0.0739759405,0.0739759405,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175288,Li7Mn4CoO12,-6.8994230846,-2.0461271027,0.0566036364,0.0566036364,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175294,Li7Mn4CoO12,-6.8945937029,-2.041297721,0.061433018,0.061433018,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175295,Li7Mn4CoO12,-6.8958018721,-2.0425058902,0.0602248489,0.0602248489,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175296,Li7Mn4CoO12,-6.8971949371,-2.0438989552,0.0588317839,0.0588317839,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175304,Li7Mn4CoO12,-6.8629920362,-2.0096960544,0.0930346847,0.0930346847,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175305,Li7Mn4CoO12,-6.8968409029,-2.043544921,0.059185818,0.059185818,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175306,Li7Mn4CoO12,-6.8519029904,-1.9986070085,0.1041237305,0.1041237305,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175311,Li7Mn4CoO12,-6.8901518412,-2.0368558594,0.0658748797,0.0658748797,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175312,Li7Mn4CoO12,-6.8570677946,-2.0037718127,0.0989589264,0.0989589264,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175333,Li7Mn4CoO12,-6.7767080254,-1.9234120435,0.1793186955,0.1793186955,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175348,Li7Mn4CoO12,-6.8801714212,-2.0268754394,0.0758552997,0.0758552997,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175352,Li7Mn4CoO12,-6.8852662371,-2.0319702552,0.0707604839,0.0707604839,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1175355,Li7Mn4CoO12,-6.7773120563,-1.9240160744,0.1787146647,0.1787146647,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1232447,Li7Mn4CoO12,-6.7794381317,-1.9261421498,0.1765885893,0.1765885893,GGA+U,Cm,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O,24.0,AB7C4D12_mC48_8_a_7a_4a_12a:Co-Li-Mn-O +mp-1666304,Li7Mn4CoO12,-6.8997103571,-2.0464143752,0.0563163639,0.0563163639,GGA+U,Cm,AB7C4D12_mC96_8_2a_14a_8a_24a:Co-Li-Mn-O,48.0,AB7C4D12_mC96_8_2a_14a_8a_24a:Co-Li-Mn-O +mp-1175271,Li7Mn4CoO12,-6.8926316421,-2.0393356602,0.0633950789,0.0633950789,GGA+U,P2/m,AB7C4D12_mP24_10_a_cehmn_mn_3m3n:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mP24_10_a_cehmn_2m2n_3m3n:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1175275,Li7Mn4CoO12,-6.9264972187,-2.0732012369,0.0295295022,0.0295295022,GGA+U,P2/m,AB7C4D12_mP24_10_b_cdhjl_ik_mn2o:Co-Li-Mn-O,48.0,AB7C4D12_mP24_10_a_cehjk_il_mn2o:Co-Li-Mn-O +mp-1175292,Li7Mn4CoO12,-6.8930830296,-2.0397870477,0.0629436914,0.0629436914,GGA+U,P2/m,AB7C4D12_mP24_10_b_cegmn_mn_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mP24_10_b_cdhm2n_mn_6m6n:Co-Li-Mn-O, expected Li9Mn4CoO24 to be Li7Mn4CoO12" +mp-1175293,Li7Mn4CoO12,-6.8738963883,-2.0206004065,0.0821303326,0.0821303326,GGA+U,P2/m,AB7C4D12_mP24_10_b_cegmn_mn_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mP24_10_b_cdhmn_mn_6m6n:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175299,Li7Mn4CoO12,-6.8427863288,-1.9894903469,0.1132403922,0.1132403922,GGA+U,P2/m,AB7C4D12_mP24_10_a_cehmn_mn_3m3n:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mP24_10_a_cehmn_mn_6m6n:Co-Li-Mn-O, expected Li7Mn4CoO24 to be Li7Mn4CoO12" +mp-1175162,Li7Mn4CoO12,-6.9283663988,-2.0750704169,0.0276603222,0.0276603222,GGA+U,C2/m,AB7C4D12_mC48_12_a_dij_gh_2i2j:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_di2j_gh_4i7j:Co-Li-Mn-O, expected Li11Mn4CoO36 to be Li7Mn4CoO12" +mp-1175268,Li7Mn4CoO12,-6.9253040835,-2.0720081017,0.0307226374,0.0307226374,GGA+U,C2/m,AB7C4D12_mC48_12_a_dij_gh_2i2j:Co-Li-Mn-O,48.0,AB7C4D12_mC48_12_a_cij_gh_2i2j:Co-Li-Mn-O +mp-1175277,Li7Mn4CoO12,-6.8956806929,-2.042384711,0.060346028,0.060346028,GGA+U,C2/m,AB7C4D12_mC48_12_a_d3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_c4i_2i_11i:Co-Li-Mn-O, expected Li9Mn4CoO22 to be Li7Mn4CoO12" +mp-1175278,Li7Mn4CoO12,-6.8960586854,-2.0427627035,0.0599680355,0.0599680355,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_d4i_2i_11i:Co-Li-Mn-O, expected Li9Mn4CoO22 to be Li7Mn4CoO12" +mp-1175279,Li7Mn4CoO12,-6.8990506967,-2.0457547148,0.0569760243,0.0569760243,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_c4i_2i_12i:Co-Li-Mn-O, expected Li9Mn4CoO24 to be Li7Mn4CoO12" +mp-1175280,Li7Mn4CoO12,-6.8976443194,-2.0443483375,0.0583824016,0.0583824016,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,48.0,AB7C4D12_mC48_12_a_d3i_2i_6i:Co-Li-Mn-O +mp-1175281,Li7Mn4CoO12,-6.8983945496,-2.0450985677,0.0576321714,0.0576321714,GGA+U,C2/m,AB7C4D12_mC48_12_a_d3i_2i_6i:Co-Li-Mn-O,24.0,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O +mp-1175282,Li7Mn4CoO12,-6.8457595425,-1.9924635606,0.1102671784,0.1102671784,GGA+U,C2/m,AB7C4D12_mC48_12_a_d3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_c4i_2i_12i:Co-Li-Mn-O, expected Li9Mn4CoO24 to be Li7Mn4CoO12" +mp-1175290,Li7Mn4CoO12,-6.8973673665,-2.0440713846,0.0586593545,0.0586593545,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_d3i_4i_6i:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1175361,Li7Mn4CoO12,-6.7843933942,-1.9310974123,0.1716333268,0.1716333268,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_c4i_2i_12i:Co-Li-Mn-O, expected Li9Mn4CoO24 to be Li7Mn4CoO12" +mp-1643524,Li7Mn4CoO12,-6.9286071363,-2.0753111544,0.0274195847,0.0274195847,GGA+U,C2/m,AB7C4D12_mC96_12_ad_3i2j_ghj_4i4j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_ac_5i7j_2g2hj_8i13j:Co-Li-Mn-O, expected Li19Mn6CoO34 to be Li7Mn4CoO12" +mp-1640528,Li7Mn4CoO12,-6.8966009802,-2.0433049983,0.0594257407,0.0594257407,GGA+U,C2/m,AB7C4D12_mC96_12_ab_cdef2ij_2ij_6i3j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_ab_cdef3ij_3ij_11i3j:Co-Li-Mn-O, expected Li8Mn5CoO17 to be Li7Mn4CoO12" +mp-1642922,Li7Mn4CoO12,-6.9217730706000005,-2.0684770888,0.0342536503,0.0342536503,GGA+U,C2/m,AB7C4D12_mC96_12_ab_e3hij_2gj_2i5j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_ab_f5hij_4gj_3i15j:Co-Li-Mn-O, expected Li9Mn6CoO33 to be Li7Mn4CoO12" +mp-1650552,Li7Mn4CoO12,-6.922144016,-2.0688480342,0.0338827049,0.0338827049,GGA+U,C2/m,AB7C4D12_mC96_12_ab_ehi2j_2g2h_2i5j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_ab_ehi2j_4g4h_3i15j:Co-Li-Mn-O, expected Li7Mn8CoO33 to be Li7Mn4CoO12" +mp-1639391,Li7Mn4CoO12,-6.924801429,-2.0715054471,0.031225292,0.031225292,GGA+U,C2/m,AB7C4D12_mC96_12_ad_3i2j_ghj_4i4j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_ac_4i5j_2ghj_6i12j:Co-Li-Mn-O, expected Li14Mn5CoO30 to be Li7Mn4CoO12" +mp-1639755,Li7Mn4CoO12,-6.8959116869,-2.042615705,0.0601150341,0.0601150341,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,48.0,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O +mp-1667041,Li7Mn4CoO12,-6.9381462656,-2.0848502838,0.0178804553,0.0178804553,GGA+U,C2/m,AB7C4D12_mC96_12_e_abcdf2hj_2gj_2i5j:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC96_12_e_abcdf3gj_3hj_3i13j:Co-Li-Mn-O, expected Li8Mn5CoO29 to be Li7Mn4CoO12" +mp-1977559,Li7Mn4CoO12,-6.8902787783,-2.0369827965,0.0657479426,0.0657479426,GGA+U,C2/m,AB7C4D12_mC48_12_a_c3i_2i_6i:Co-Li-Mn-O,48.0,"Invalid WP multiplicities - AB7C4D12_mC48_12_a_d3i_4i_6i:Co-Li-Mn-O, expected Li7Mn8CoO12 to be Li7Mn4CoO12" +mp-1181816,MnSnO3,-7.532897433,-1.9305667768,0.154089912,0.1517946595,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Mn-O-Sn,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Mn-O-Sn, expected MnSnO6 to be MnSnO3" +mp-20569,MnSnO3,-7.686987345,-2.0846566888,0.0,-0.0022952525,GGA+U,R-3,AB3C_hR30_148_c_f_c:Mn-O-Sn,10.0,AB3C_hR30_148_c_f_c:Mn-O-Sn +mp-691106,MnSnO3,-7.664667748,-2.0623370918,0.022319597,0.0200243445,GGA+U,R3c,AB3C_hR30_161_a_b_a:Mn-O-Sn,10.0,AB3C_hR30_161_a_b_a:Mn-O-Sn +mp-1176681,LiMn2(CoO4)2,-7.2836711223,-1.5895866046,0.0650345467,0.0650345467,GGA+U,P-1,A2BC2D8_aP13_2_bd_g_ae_4i:Co-Li-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_aP13_2_bd_g_ae_7i:Co-Li-Mn-O, expected LiMn2(CoO7)2 to be LiMn2(CoO4)2" +mp-778584,LiMn2(CoO4)2,-7.2989283815,-1.6048438638,0.0497772875,0.0497772875,GGA+U,C2/m,A2BC2D8_mC26_12_ac_b_f_2ij:Co-Li-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_12_ac_b_e_3i4j:Co-Li-Mn-O, expected LiMn2(CoO11)2 to be LiMn2(CoO4)2" +mp-755918,Li4Mn3(CoO4)3,-7.0512471059,-1.787294594,0.0983049738,0.0983049738,GGA+U,P-1,A3B4C3D12_aP22_2_ai_cei_di_6i:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - A3B4C3D12_aP22_2_ai_ce2i_di_12i:Co-Li-Mn-O, expected Li2MnCoO8 to be Li4Mn3(CoO4)3" +mp-1642421,Li4Mn3(CoO4)3,-7.0570006907,-1.7930481787,0.092551389,0.092551389,GGA+U,P-1,A3B4C3D12_aP44_2_bc2i_4i_ef2i_12i:Co-Li-Mn-O,44.0,"Invalid WP multiplicities - A3B4C3D12_aP44_2_de2i_5i_bc4i_21i:Co-Li-Mn-O, expected Li5Mn5(CoO7)3 to be Li4Mn3(CoO4)3" +mp-756302,Li3Mn(CoO2)4,-6.8600867231,-1.6791139255,0.0586908489,0.0586908489,GGA+U,C2/m,A4B3CD8_mC32_12_ade_cf_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ade_c2f_b_3i2j:Co-Li-Mn-O, expected Li5Mn(Co2O7)2 to be Li3Mn(CoO2)4" +mp-754774,Li2Mn3(CoO4)3,-7.2862341765,-1.6867787,0.0309800016,0.0309800016,GGA+U,P-1,A3B2C3D12_aP20_2_ai_i_di_6i:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C3D12_aP20_2_ai_i_di_11i:Co-Li-Mn-O, expected Li2Mn3Co3O22 to be Li2Mn3(CoO4)3" +mp-772511,Li4Co3Sn5O16,-6.5234844389,-1.9465014565,0.027447545,0.027447545,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn +mp-1661736,Li4Co3Sn5O16,-6.5198960773,-1.9429130949,0.0310359066,0.0310359066,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn +mp-1661768,Li4Co3Sn5O16,-6.5230959382,-1.9461129558,0.0278360457,0.0278360457,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn +mp-1664575,Li4Co3Sn5O16,-6.5119577163,-1.9349747339,0.0389742677,0.0389742677,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sn +mp-1177466,Li4Co3Sn5O16,-6.4971446561,-1.9201616737,0.0537873279,0.0537873279,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Co-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Co-Li-O-Sn, expected Li4Co3Sn7O20 to be Li4Co3Sn5O16" +mp-1314393,Li3Mn3CoO8,-7.278070285,-1.9517608209,0.0697652548,0.0697652548,GGA+U,P1,AB3C3D8_aP30_1_2a_6a_6a_16a:Co-Li-Mn-O,30.0,AB3C3D8_aP30_1_2a_6a_6a_16a:Co-Li-Mn-O +mp-1299461,Li3Mn3CoO8,-7.2734134583,-1.9471039943,0.0744220815,0.0744220815,GGA+U,P-1,AB3C3D8_aP30_2_ah_3i_bcdefg_8i:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_aP30_2_ah_3i_bcdefg_14i:Co-Li-Mn-O, expected Li3Mn3CoO14 to be Li3Mn3CoO8" +mp-1177742,Li3Mn3CoO8,-7.2456428653,-1.9193334013,0.1021926745,0.1021926745,GGA+U,Cc,AB3C3D8_mC60_9_a_3a_3a_8a:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_mC60_9_a_6a_6a_15a:Co-Li-Mn-O, expected Li6Mn6CoO15 to be Li3Mn3CoO8" +mp-1177633,Li3Mn3CoO8,-7.248831792,-1.9225223279,0.0990037478,0.0990037478,GGA+U,Cmc2_1,AB3C3D8_oC60_36_a_ab_ab_4a2b:Co-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_oC60_36_a_a2b_a2b_6a8b:Co-Li-Mn-O, expected Li5Mn5CoO22 to be Li3Mn3CoO8" +mp-753150,Li3Mn3CoO8,-7.270915964,-1.9446064999,0.0769195758,0.0769195758,GGA+U,R-3m,AB3C3D8_hR45_166_a_d_e_ch:Co-Li-Mn-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_d_e_2c3h:Co-Li-Mn-O, expected Li3Mn3CoO22 to be Li3Mn3CoO8" +mp-1290756,Li3Mn2SnO6,-6.9327738096,-2.1210652007,0.0417408294,0.0417408294,GGA+U,P-1,A3B2C6D_aP24_2_3i_2i_6i_ad:Li-Mn-O-Sn,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_4i_2i_9i_ad:Li-Mn-O-Sn, expected Li4Mn2SnO9 to be Li3Mn2SnO6" +mp-1317444,Li3Mn2SnO6,-6.9306569367,-2.1189483278,0.0438577023,0.0438577023,GGA+U,P-1,A3B2C6D_aP24_2_ac2i_2i_6i_de:Li-Mn-O-Sn,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_ac3i_2i_10i_de:Li-Mn-O-Sn, expected Li4Mn2SnO10 to be Li3Mn2SnO6" +mp-754187,Li3Mn2SnO6,-6.9170524879,-2.105343879,0.057462151,0.057462151,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Mn-O-Sn,24.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Mn-O-Sn +mp-755501,Li2CoSnO4,-6.3125870594,-1.9722757808,0.0179706119,0.0179706119,GGA+U,P2/m,AB2C4D_mP8_10_b_dh_mn_c:Co-Li-O-Sn,16.0,AB2C4D_mP8_10_b_eg_mn_c:Co-Li-O-Sn +mp-768412,Li2CoSnO4,-6.3084402825,-1.968129004,0.0221173887,0.0221173887,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Co-Li-O-Sn,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_4h3i_d:Co-Li-O-Sn, expected Li4CoSnO14 to be Li2CoSnO4" +mp-754851,Li2CoSnO4,-6.3037355022,-1.9634242236,0.0268221691,0.0268221691,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Co-Li-O-Sn,32.0,AB2C4D_tI16_119_a_bc_ef_d:Co-Li-O-Sn +mp-1284710,Li2MnCoO4,-6.8780897081,-1.8937229999,0.0630928466,0.0630928466,GGA+U,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O,16.0,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O +mp-1275612,Li2MnCoO4,-6.8551097544,-1.8707430462,0.0860728003,0.0860728003,GGA+U,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O,16.0,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O +mp-1310532,Li2MnCoO4,-6.8794913300000005,-1.8951246218,0.0616912247,0.0616912247,GGA+U,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O,16.0,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O +mp-1301210,Li2MnCoO4,-6.8785852994,-1.8942185912,0.0625972553,0.0625972553,GGA+U,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O,16.0,AB2CD4_aP16_1_2a_4a_2a_8a:Co-Li-Mn-O +mp-1173882,Li2MnCoO4,-6.88549302,-1.9011263118,0.0556895347,0.0556895347,GGA+U,P-1,AB2CD4_aP16_2_i_2i_i_4i:Co-Li-Mn-O,16.0,AB2CD4_aP16_2_i_2i_i_4i:Co-Li-Mn-O +mp-1173885,Li2MnCoO4,-6.9196214494,-1.9352547412,0.0215611053,0.0215611053,GGA+U,P-1,AB2CD4_aP16_2_i_abi_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_ab2i_i_8i:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-1173895,Li2MnCoO4,-6.8723079156,-1.8879412074,0.0688746391,0.0688746391,GGA+U,P-1,AB2CD4_aP16_2_i_2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_3i_i_7i:Co-Li-Mn-O, expected Li3MnCoO7 to be Li2MnCoO4" +mp-1173897,Li2MnCoO4,-6.874362145,-1.8899954368,0.0668204097,0.0668204097,GGA+U,P-1,AB2CD4_aP8_2_b_cd_h_2i:Co-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_aP8_2_b_cd_h_4i:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-1173902,Li2MnCoO4,-6.8631710988,-1.8788043906,0.0780114559,0.0780114559,GGA+U,P-1,AB2CD4_aP8_2_a_i_e_2i:Co-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_aP8_2_a_i_e_3i:Co-Li-Mn-O, expected Li2MnCoO6 to be Li2MnCoO4" +mp-1173911,Li2MnCoO4,-6.8266750906,-1.8423083824,0.1145074641,0.1145074641,GGA+U,P-1,AB2CD4_aP16_2_i_abi_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_bdi_i_8i:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-1173915,Li2MnCoO4,-6.8588911869,-1.8745244787,0.0822913678,0.0822913678,GGA+U,P-1,AB2CD4_aP16_2_i_bci_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_bci_i_8i:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-1173916,Li2MnCoO4,-6.8898384506,-1.9054717424,0.0513441041,0.0513441041,GGA+U,P-1,AB2CD4_aP16_2_i_2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_4i_i_8i:Co-Li-Mn-O, expected Li4MnCoO8 to be Li2MnCoO4" +mp-1173917,Li2MnCoO4,-6.8591739769,-1.8748072687,0.0820085778,0.0820085778,GGA+U,P-1,AB2CD4_aP16_2_i_abi_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_ab2i_i_8i:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-1173920,Li2MnCoO4,-6.8688521194,-1.8844854112,0.0723304353,0.0723304353,GGA+U,P-1,AB2CD4_aP16_2_i_2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_aP16_2_i_3i_i_7i:Co-Li-Mn-O, expected Li3MnCoO7 to be Li2MnCoO4" +mp-1304023,Li2MnCoO4,-6.8691016969,-1.8847349887,0.0720808578,0.0720808578,GGA+U,P-1,AB2CD4_aP16_2_i_bei_i_4i:Co-Li-Mn-O,16.0,AB2CD4_aP16_2_i_bei_i_4i:Co-Li-Mn-O +mp-1296374,Li2MnCoO4,-6.8501984669,-1.8658317587,0.0909840878,0.0909840878,GGA+U,C2,AB2CD4_mC32_5_ab_2c_ab_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_5_ab_2c_ab_8c:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-753482,Li2MnCoO4,-6.9069767550000005,-1.9226100468,0.0342057997,0.0342057997,GGA+U,P2/m,AB2CD4_mP8_10_b_dh_c_mn:Co-Li-Mn-O,8.0,AB2CD4_mP8_10_b_eg_c_mn:Co-Li-Mn-O +mp-1173912,Li2MnCoO4,-6.8649705994,-1.8806038912,0.0762119553,0.0762119553,GGA+U,P2_1/m,AB2CD4_mP16_11_e_2e_e_4e:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mP16_11_e_3e_e_7e:Co-Li-Mn-O, expected Li3MnCoO7 to be Li2MnCoO4" +mp-1173918,Li2MnCoO4,-6.8602314644,-1.8758647562,0.0809510903,0.0809510903,GGA+U,P2_1/m,AB2CD4_mP16_11_e_2e_e_4e:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mP16_11_e_3e_e_7e:Co-Li-Mn-O, expected Li3MnCoO7 to be Li2MnCoO4" +mp-1173919,Li2MnCoO4,-6.8574296181,-1.8730629099,0.0837529366,0.0837529366,GGA+U,P2_1/m,AB2CD4_mP16_11_e_2e_e_4e:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mP16_11_e_2e_e_8e:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-1173884,Li2MnCoO4,-6.9086822794,-1.9243155712,0.0325002753,0.0325002753,GGA+U,C2/m,AB2CD4_mC32_12_i_adi_i_4i:Co-Li-Mn-O,16.0,AB2CD4_mC32_12_i_aci_i_4i:Co-Li-Mn-O +mp-1173893,Li2MnCoO4,-6.9123759588,-1.9280092506,0.0288065959,0.0288065959,GGA+U,C2/m,AB2CD4_mC16_12_a_i_d_2i:Co-Li-Mn-O,16.0,AB2CD4_mC16_12_a_i_c_2i:Co-Li-Mn-O +mp-1173896,Li2MnCoO4,-6.8755519813,-1.8911852731,0.0656305734,0.0656305734,GGA+U,C2/m,AB2CD4_mC32_12_i_aci_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_12_i_ad2i_i_8i:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-1173901,Li2MnCoO4,-6.8563716675,-1.8720049593,0.0848108872,0.0848108872,GGA+U,C2/m,AB2CD4_mC16_12_a_i_d_2i:Co-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_mC16_12_a_i_c_3i:Co-Li-Mn-O, expected Li2MnCoO6 to be Li2MnCoO4" +mp-1173905,Li2MnCoO4,-6.8458009106,-1.8614342024,0.0953816441,0.0953816441,GGA+U,C2/m,AB2CD4_mC32_12_i_adi_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_12_i_ad2i_i_8i:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-1173906,Li2MnCoO4,-6.8589561356,-1.8745894274,0.0822264191,0.0822264191,GGA+U,C2/m,AB2CD4_mC32_12_i_aci_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_12_i_ac2i_i_8i:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-1173910,Li2MnCoO4,-6.9196561644,-1.9352894562,0.0215263903,0.0215263903,GGA+U,P2/c,AB2CD4_mP16_13_e_2f_e_2g:Co-Li-Mn-O,16.0,AB2CD4_mP16_13_e_2f_e_2g:Co-Li-Mn-O +mp-765552,Li2MnCoO4,-6.8791755431,-1.8948088349,0.0620070116,0.0620070116,GGA+U,C2/c,AB2CD4_mC32_15_a_bc_d_2f:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_15_a_2bc_d_5f:Co-Li-Mn-O, expected Li3MnCoO10 to be Li2MnCoO4" +mp-1173929,Li2MnCoO4,-6.9203647231000005,-1.9359980149,0.0208178316,0.0208178316,GGA+U,C2/c,AB2CD4_mC32_15_e_f_e_2f:Co-Li-Mn-O,16.0,AB2CD4_mC32_15_e_f_e_2f:Co-Li-Mn-O +mp-1173949,Li2MnCoO4,-6.8912816481,-1.9069149399,0.0499009066,0.0499009066,GGA+U,C2/c,AB2CD4_mC32_15_e_f_e_2f:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_15_e_f_e_6f:Co-Li-Mn-O, expected Li2MnCoO12 to be Li2MnCoO4" +mp-1177941,Li2MnCoO4,-6.8418977975,-1.8575310893,0.0992847572,0.0992847572,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Co-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_bc_d_2e2f:Co-Li-Mn-O, expected Li2MnCoO8 to be Li2MnCoO4" +mp-1173886,Li2MnCoO4,-6.8406834738,-1.8563167656,0.1004990809,0.1004990809,GGA+U,R-3m,AB2CD4_hR24_166_a_c_b_2c:Co-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_hR24_166_a_c_b_3c:Co-Li-Mn-O, expected Li2MnCoO6 to be Li2MnCoO4" +mp-1173904,Li2MnCoO4,-6.8545797375,-1.8702130293,0.0866028172,0.0866028172,GGA+U,R-3m,AB2CD4_hR48_166_c_abc_c_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_hR48_166_c_ab2c_c_8c:Co-Li-Mn-O, expected Li3MnCoO8 to be Li2MnCoO4" +mp-755934,LiMnSnO4,-7.11742142,-2.136383583,0.0017614236,0.0017614236,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Sn,14.0,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Sn +mp-1176598,LiMnSnO4,-7.0290327532,-2.0479949163,0.0901500904,0.0901500904,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_b_3d_c:Li-Mn-O-Sn, expected LiMnSnO6 to be LiMnSnO4" +mp-1174768,Li6Mn3CoO10,-6.829196379,-2.0534569798,0.0377186849,0.0377186849,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174770,Li6Mn3CoO10,-6.8220448010000005,-2.0463054018,0.0448702629,0.0448702629,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174771,Li6Mn3CoO10,-6.8368820105,-2.0611426113,0.0300330534,0.0300330534,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174775,Li6Mn3CoO10,-6.824896103,-2.0491567038,0.0420189609,0.0420189609,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174791,Li6Mn3CoO10,-6.8217443305,-2.0460049313,0.0451707334,0.0451707334,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174808,Li6Mn3CoO10,-6.770949677,-1.9952102778,0.0959653869,0.0959653869,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174809,Li6Mn3CoO10,-6.766536393,-1.9907969938,0.1003786709,0.1003786709,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174816,Li6Mn3CoO10,-6.8039382745,-2.0281988753,0.0629767894,0.0629767894,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174821,Li6Mn3CoO10,-6.797451861,-2.0217124618,0.0694632029,0.0694632029,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174822,Li6Mn3CoO10,-6.802383234,-2.0266438348,0.0645318299,0.0645318299,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174829,Li6Mn3CoO10,-6.771089356,-1.9953499568,0.0958257079,0.0958257079,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174830,Li6Mn3CoO10,-6.769962487,-1.9942230878,0.0969525769,0.0969525769,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174834,Li6Mn3CoO10,-6.7678341595,-1.9920947603,0.0990809044,0.0990809044,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174835,Li6Mn3CoO10,-6.616530892,-1.8407914928,0.2503841719,0.2503841719,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174849,Li6Mn3CoO10,-6.797753866,-2.0220144668,0.0691611979,0.0691611979,GGA+U,P1,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_aP20_1_a_6a_3a_10a:Co-Li-Mn-O +mp-1174811,Li6Mn3CoO10,-6.8223010955,-2.0465616963,0.0446139684,0.0446139684,GGA+U,C2,AB6C3D10_mC40_5_a_a5b_3a_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB6C3D10_mC40_5_a_a5b_3a_10c:Co-Li-Mn-O, expected Li6Mn3CoO20 to be Li6Mn3CoO10" +mp-1174826,Li6Mn3CoO10,-6.800342245,-2.0246028458,0.0665728189,0.0665728189,GGA+U,C2,AB6C3D10_mC40_5_a_a5b_3a_5c:Co-Li-Mn-O,20.0,"Invalid WP multiplicities - AB6C3D10_mC40_5_a_a5b_3a_10c:Co-Li-Mn-O, expected Li6Mn3CoO20 to be Li6Mn3CoO10" +mp-1174251,Li6Mn3CoO10,-6.8045063500000005,-2.0287669508,0.0624087139,0.0624087139,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174280,Li6Mn3CoO10,-6.781174036,-2.0054346368,0.0857410279,0.0857410279,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174282,Li6Mn3CoO10,-6.802032643,-2.0262932438,0.0648824209,0.0648824209,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174304,Li6Mn3CoO10,-6.8017061385,-2.0259667393,0.0652089254,0.0652089254,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174309,Li6Mn3CoO10,-6.503014738,-1.7272753388000002,0.3639003259,0.3639003259,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174332,Li6Mn3CoO10,-6.7569435695,-1.9812041703,0.1099714944,0.1099714944,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174362,Li6Mn3CoO10,-6.784189707,-2.0084503078,0.0827253569,0.0827253569,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174363,Li6Mn3CoO10,-6.7832016280000005,-2.0074622288,0.0837134359,0.0837134359,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174388,Li6Mn3CoO10,-6.6558926985,-1.8801532993,0.2110223654,0.2110223654,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174416,Li6Mn3CoO10,-6.6601431025,-1.8844037033,0.2067719614,0.2067719614,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1174818,Li6Mn3CoO10,-6.8023075815,-2.0265681823,0.0646074824,0.0646074824,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-1232438,Li6Mn3CoO10,-6.7967297055,-2.0209903063,0.0701853584,0.0701853584,GGA+U,Cm,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O,20.0,AB6C3D10_mC40_8_a_6a_3a_10a:Co-Li-Mn-O +mp-850186,Li4Mn2Co3Sn3O16,-6.8066109446,-1.8615962882,0.0892485941,0.0892485941,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Sn,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Sn +mp-849534,Li4Mn2Co3Sn3O16,-6.8030141757,-1.8579995193,0.092845363,0.092845363,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Mn-O-Sn,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Sn +mp-777381,Li2Mn(CoO3)2,-6.8597991905,-1.6891965647,0.1202012794,0.1202012794,GGA+U,P-1,A2B2CD6_aP22_2_2i_adi_ce_6i:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B2CD6_aP22_2_3i_ad2i_ce_11i:Co-Li-Mn-O, expected Li3MnCo3O11 to be Li2Mn(CoO3)2" +mp-1177992,Li2Mn(CoO3)2,-6.8637752527,-1.693172627,0.1162252171,0.1162252171,GGA+U,Cmce,A2B2CD6_oC44_64_d_e_a_fg:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B2CD6_oC44_64_d_e_a_2f2g:Co-Li-Mn-O, expected Li2Mn(CoO6)2 to be Li2Mn(CoO3)2" +mp-1174038,Li5Mn(CoO4)2,-6.3622044606,-1.831156029,0.0929683203,0.0929683203,GGA+U,P1,A2B5CD8_aP16_1_2a_5a_a_8a:Co-Li-Mn-O,16.0,A2B5CD8_aP16_1_2a_5a_a_8a:Co-Li-Mn-O +mp-1174089,Li5Mn(CoO4)2,-6.394357575,-1.8633091434,0.0608152059,0.0608152059,GGA+U,P-1,A2B5CD8_aP16_2_i_a2i_b_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_aP16_2_i_a2i_b_8i:Co-Li-Mn-O, expected Li5Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174124,Li5Mn(CoO4)2,-6.3900141663,-1.8589657347,0.0651586147,0.0651586147,GGA+U,P-1,A2B5CD8_aP16_2_ag_b2i_c_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_aP16_2_ag_b3i_c_7i:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li5Mn(CoO4)2" +mp-1390220,Li5Mn(CoO4)2,-3.6651285106,0.865919921,2.7900442703,2.7900442703,GGA+U,P-1,A2B5CD8_aP16_2_ab_c2i_g_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_aP16_2_ab_c3i_g_7i:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li5Mn(CoO4)2" +mp-1174000,Li5Mn(CoO4)2,-6.417784215,-1.8867357834,0.0373885659,0.0373885659,GGA+U,P2,A2B5CD8_mP16_3_ac_2bc2d_a_4e:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_3_ac_2bc2d_a_8e:Co-Li-Mn-O, expected Li5Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174011,Li5Mn(CoO4)2,-6.4116369169,-1.8805884853,0.0435358641,0.0435358641,GGA+U,C2,A2B5CD8_mC32_5_ab_a2c_b_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_5_ab_a4c_b_8c:Co-Li-Mn-O, expected Li9Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174032,Li5Mn(CoO4)2,-6.373947835,-1.8428994034,0.0812249459,0.0812249459,GGA+U,Pm,A2B5CD8_mP16_6_ab_2a3b_a_4a4b:Co-Li-Mn-O,16.0,A2B5CD8_mP16_6_ab_2a3b_a_4a4b:Co-Li-Mn-O +mp-1174095,Li5Mn(CoO4)2,-6.3570664006,-1.826017969,0.0981063803,0.0981063803,GGA+U,Pm,A2B5CD8_mP16_6_ab_2a3b_a_4a4b:Co-Li-Mn-O,16.0,A2B5CD8_mP16_6_ab_2a3b_a_4a4b:Co-Li-Mn-O +mp-1174137,Li5Mn(CoO4)2,-6.3729757706,-1.841927339,0.0821970103,0.0821970103,GGA+U,Cm,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O,16.0,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O +mp-1174172,Li5Mn(CoO4)2,-6.3727211269,-1.8416726953,0.0824516541,0.0824516541,GGA+U,Cm,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O,16.0,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O +mp-1174236,Li5Mn(CoO4)2,-6.3656942075,-1.8346457759,0.0894785734,0.0894785734,GGA+U,Cm,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O,16.0,A2B5CD8_mC32_8_2a_5a_a_8a:Co-Li-Mn-O +mp-1173997,Li5Mn(CoO4)2,-6.3634851556,-1.832436724,0.0916876253,0.0916876253,GGA+U,P2/m,A2B5CD8_mP16_10_m_bcdn_h_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_m_bcg2n_e_4m4n:Co-Li-Mn-O, expected Li7Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1173999,Li5Mn(CoO4)2,-6.3506057281,-1.8195572965,0.1045670528,0.1045670528,GGA+U,P2/m,A2B5CD8_mP16_10_bh_cmn_d_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_be_c2m2n_g_4m4n:Co-Li-Mn-O, expected Li9Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174001,Li5Mn(CoO4)2,-6.3796996706,-1.848651239,0.0754731103,0.0754731103,GGA+U,P2/m,A2B5CD8_mP16_10_i_cdfl_e_mno:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_j_acf2l_b_2m2n4o:Co-Li-Mn-O, expected Li7Mn(CoO12)2 to be Li5Mn(CoO4)2" +mp-1174004,Li5Mn(CoO4)2,-6.3635707031,-1.8325222715,0.0916020778,0.0916020778,GGA+U,P2/m,A2B5CD8_mP16_10_n_acdn_g_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_n_acd2n_g_4m4n:Co-Li-Mn-O, expected Li7Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174028,Li5Mn(CoO4)2,-6.3272821187,-1.7962336872,0.1278906622,0.1278906622,GGA+U,P2/m,A2B5CD8_mP16_10_bc_dmn_h_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_bc_e2m2n_g_4m4n:Co-Li-Mn-O, expected Li9Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174120,Li5Mn(CoO4)2,-6.370346865,-1.8392984334,0.0848259159,0.0848259159,GGA+U,P2/m,A2B5CD8_mP16_10_bd_cmn_h_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mP16_10_bg_c2m2n_e_4m4n:Co-Li-Mn-O, expected Li9Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1173992,Li5Mn(CoO4)2,-6.3777957287,-1.8467472972,0.0773770522,0.0773770522,GGA+U,C2/m,A2B5CD8_mC32_12_h_aei_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_h_a2f2i_b_4i4j:Co-Li-Mn-O, expected Li9Mn(CoO12)2 to be Li5Mn(CoO4)2" +mp-1174059,Li5Mn(CoO4)2,-6.3744757637,-1.8434273322,0.0806970172,0.0806970172,GGA+U,C2/m,A2B5CD8_mC32_12_i_a2i_d_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_i_a2i_c_8i:Co-Li-Mn-O, expected Li5Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174060,Li5Mn(CoO4)2,-6.3349940794,-1.8039456478,0.1201787016,0.1201787016,GGA+U,C2/m,A2B5CD8_mC32_12_i_a2i_d_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_i_a3i_d_7i:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li5Mn(CoO4)2" +mp-1174085,Li5Mn(CoO4)2,-6.3869172844,-1.8558688528,0.0682554966,0.0682554966,GGA+U,C2/m,A2B5CD8_mC32_12_e_ahi_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_f_ah2i_b_3i2j:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li5Mn(CoO4)2" +mp-1174160,Li5Mn(CoO4)2,-6.3658969287,-1.8348484972,0.0892758522,0.0892758522,GGA+U,C2/m,A2B5CD8_mC32_12_e_acdf_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_e_abcf_d_4i2j:Co-Li-Mn-O, expected Li5Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174217,Li5Mn(CoO4)2,-6.363359555,-1.8323111234,0.0918132259,0.0918132259,GGA+U,C2/m,A2B5CD8_mC32_12_i_a2i_c_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_mC32_12_i_a3i_d_7i:Co-Li-Mn-O, expected Li7Mn(CoO7)2 to be Li5Mn(CoO4)2" +mp-1174300,Li5Mn(CoO4)2,-6.2313355281,-1.7002870965,0.2238372528,0.2238372528,GGA+U,R3m,A2B5CD8_hR48_160_2a_5a_a_8a:Co-Li-Mn-O,16.0,A2B5CD8_hR48_160_2a_5a_a_8a:Co-Li-Mn-O +mp-1174310,Li5Mn(CoO4)2,-6.2308785644,-1.6998301328,0.2242942166,0.2242942166,GGA+U,R-3m,A2B5CD8_hR48_166_c_a2c_b_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A2B5CD8_hR48_166_c_a2c_b_8c:Co-Li-Mn-O, expected Li5Mn(CoO8)2 to be Li5Mn(CoO4)2" +mp-1174149,Li4Mn3CoO8,-7.1260447381,-2.0133219364,0.0453390423,0.0453390423,GGA+U,P-1,AB4C3D8_aP16_2_b_2i_cdh_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_b_3i_cdh_7i:Co-Li-Mn-O, expected Li6Mn3CoO14 to be Li4Mn3CoO8" +mp-1174183,Li4Mn3CoO8,-7.1311996219000005,-2.0184768201,0.0401841586,0.0401841586,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_3i_b2i_7i:Co-Li-Mn-O, expected Li6Mn5CoO14 to be Li4Mn3CoO8" +mp-1174190,Li4Mn3CoO8,-7.1377606463,-2.0250378445,0.0336231342,0.0336231342,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O,16.0,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O +mp-1174192,Li4Mn3CoO8,-7.13491389,-2.0221910883,0.0364698905,0.0364698905,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_bcg_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_4i_bcg_8i:Co-Li-Mn-O, expected Li8Mn3CoO16 to be Li4Mn3CoO8" +mp-1174204,Li4Mn3CoO8,-7.1226437213,-2.0099209195,0.0487400592,0.0487400592,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_ei_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_2i_e2i_8i:Co-Li-Mn-O, expected Li4Mn5CoO16 to be Li4Mn3CoO8" +mp-1174205,Li4Mn3CoO8,-7.1261854825,-2.0134626808,0.045198298,0.045198298,GGA+U,P-1,AB4C3D8_aP16_2_b_dhi_ci_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_b_dh2i_c2i_8i:Co-Li-Mn-O, expected Li6Mn5CoO16 to be Li4Mn3CoO8" +mp-1174214,Li4Mn3CoO8,-7.13826283,-2.0255400283,0.0331209505,0.0331209505,GGA+U,P-1,AB4C3D8_aP16_2_a_ehi_bi_4i:Co-Li-Mn-O,16.0,AB4C3D8_aP16_2_a_ehi_bi_4i:Co-Li-Mn-O +mp-1174215,Li4Mn3CoO8,-7.1309634606,-2.0182406589,0.0404203198,0.0404203198,GGA+U,P-1,AB4C3D8_aP16_2_a_bci_gi_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_bci_g2i_8i:Co-Li-Mn-O, expected Li4Mn5CoO16 to be Li4Mn3CoO8" +mp-1174216,Li4Mn3CoO8,-7.1311259394,-2.0184031376,0.0402578411,0.0402578411,GGA+U,P-1,AB4C3D8_aP16_2_a_bci_gi_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_bc2i_g2i_7i:Co-Li-Mn-O, expected Li6Mn5CoO14 to be Li4Mn3CoO8" +mp-1174238,Li4Mn3CoO8,-7.1385015963,-2.0257787945,0.0328821842,0.0328821842,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O,16.0,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O +mp-1174262,Li4Mn3CoO8,-7.1265558619,-2.0138330601,0.0448279186,0.0448279186,GGA+U,P-1,AB4C3D8_aP16_2_b_2i_ci_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_b_4i_ci_8i:Co-Li-Mn-O, expected Li8Mn3CoO16 to be Li4Mn3CoO8" +mp-1174279,Li4Mn3CoO8,-7.1371275038,-2.024404702,0.0342562767,0.0342562767,GGA+U,P-1,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O,16.0,AB4C3D8_aP16_2_a_2i_bi_4i:Co-Li-Mn-O +mp-1273442,Li4Mn3CoO8,-7.1364041091,-2.0236813073,0.0349796714,0.0349796714,GGA+U,P-1,AB4C3D8_aP32_2_af_4i_ch2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_aP32_2_af_5i_ch2i_13i:Co-Li-Mn-O, expected Li5Mn3CoO13 to be Li4Mn3CoO8" +mp-1308768,Li4Mn3CoO8,-7.1266615978,-2.0139387961,0.0447221827,0.0447221827,GGA+U,P-1,AB4C3D8_aP16_2_b_2i_ei_4i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_b_2i_2e2i_4i:Co-Li-Mn-O, expected Li4Mn6CoO8 to be Li4Mn3CoO8" +mp-1301464,Li4Mn3CoO8,-7.1414088981,-2.0286860964,0.0299748823,0.0299748823,GGA+U,P-1,AB4C3D8_aP32_2_i_acfh2i_bdegi_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_aP32_2_i_abcd2i_2afh2i_16i:Co-Li-Mn-O, expected Li4Mn4CoO16 to be Li4Mn3CoO8" +mp-1305882,Li4Mn3CoO8,-7.1321167056,-2.0193939039,0.0392670748,0.0392670748,GGA+U,P-1,AB4C3D8_aP32_2_ae_4i_3i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_aP32_2_ae_8i_5i_16i:Co-Li-Mn-O, expected Li8Mn5CoO16 to be Li4Mn3CoO8" +mp-1174165,Li4Mn3CoO8,-7.1192228044,-2.0065000026,0.0521609761,0.0521609761,GGA+U,P2/m,AB4C3D8_mP16_10_b_mn_cdh_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mP16_10_b_mn_ceg_4m4n:Co-Li-Mn-O, expected Li4Mn3CoO16 to be Li4Mn3CoO8" +mp-1174170,Li4Mn3CoO8,-7.1090978088,-1.996375007,0.0622859717,0.0622859717,GGA+U,P2/m,AB4C3D8_mP16_10_b_cdn_hm_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mP16_10_b_cg2n_e2m_4m4n:Co-Li-Mn-O, expected Li6Mn5CoO16 to be Li4Mn3CoO8" +mp-1174173,Li4Mn3CoO8,-7.1387844969,-2.0260616951,0.0325992836,0.0325992836,GGA+U,P2/m,AB4C3D8_mP16_10_a_ghj_bk_mno:Co-Li-Mn-O,16.0,AB4C3D8_mP16_10_a_cfj_bl_mno:Co-Li-Mn-O +mp-1174187,Li4Mn3CoO8,-7.1308429575,-2.0181201558,0.040540823,0.040540823,GGA+U,P2/m,AB4C3D8_mP16_10_b_cdn_hm_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mP16_10_b_cg2n_e2m_4m4n:Co-Li-Mn-O, expected Li6Mn5CoO16 to be Li4Mn3CoO8" +mp-1174209,Li4Mn3CoO8,-7.1091017788,-1.996378977,0.0622820017,0.0622820017,GGA+U,P2/m,AB4C3D8_mP16_10_a_cdn_gn_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mP16_10_a_cg2n_d2n_4m4n:Co-Li-Mn-O, expected Li6Mn5CoO16 to be Li4Mn3CoO8" +mp-1174218,Li4Mn3CoO8,-7.1080053356,-1.9952825339,0.0633784448,0.0633784448,GGA+U,P2/m,AB4C3D8_mP16_10_b_mn_cdh_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mP16_10_b_2m2n_ceg_4m4n:Co-Li-Mn-O, expected Li8Mn3CoO16 to be Li4Mn3CoO8" +mp-1174136,Li4Mn3CoO8,-7.1151542856,-2.0024314839,0.0562294948,0.0562294948,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_di_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_3i_c2i_7i:Co-Li-Mn-O, expected Li6Mn5CoO14 to be Li4Mn3CoO8" +mp-1174169,Li4Mn3CoO8,-7.1181116788,-2.005388877,0.0532721017,0.0532721017,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_ci_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_3i_d2i_7i:Co-Li-Mn-O, expected Li6Mn5CoO14 to be Li4Mn3CoO8" +mp-1174175,Li4Mn3CoO8,-7.1094444238,-1.996721622,0.0619393567,0.0619393567,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_di_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_2i_c2i_8i:Co-Li-Mn-O, expected Li4Mn5CoO16 to be Li4Mn3CoO8" +mp-1174185,Li4Mn3CoO8,-7.1249781019,-2.0122553001,0.0464056786,0.0464056786,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_ci_4i:Co-Li-Mn-O,16.0,AB4C3D8_mC32_12_a_2i_ci_4i:Co-Li-Mn-O +mp-1174186,Li4Mn3CoO8,-7.1124650413,-1.9997422395,0.0589187392,0.0589187392,GGA+U,C2/m,AB4C3D8_mC32_12_a_ei_bh_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_fi_bh_4i2j:Co-Li-Mn-O, expected Li4Mn3CoO16 to be Li4Mn3CoO8" +mp-1174189,Li4Mn3CoO8,-7.109188815,-1.9964660133,0.0621949655,0.0621949655,GGA+U,C2/m,AB4C3D8_mC32_12_a_ei_bh_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_2f2i_b2h_4i4j:Co-Li-Mn-O, expected Li8Mn5CoO24 to be Li4Mn3CoO8" +mp-1174203,Li4Mn3CoO8,-7.140389055,-2.0276662533,0.0309947255,0.0309947255,GGA+U,C2/m,AB4C3D8_mC32_12_a_cde_bf_2ij:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_cdf_2b2e_3i2j:Co-Li-Mn-O, expected Li4Mn6CoO14 to be Li4Mn3CoO8" +mp-1174243,Li4Mn3CoO8,-7.1147931681,-2.0020703664,0.0565906123,0.0565906123,GGA+U,C2/m,AB4C3D8_mC32_12_a_hi_be_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_2hi_bf_4i3j:Co-Li-Mn-O, expected Li6Mn3CoO20 to be Li4Mn3CoO8" +mp-1174259,Li4Mn3CoO8,-7.12952944,-2.0168066383,0.0418543405,0.0418543405,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_di_4i:Co-Li-Mn-O,16.0,AB4C3D8_mC32_12_a_2i_ci_4i:Co-Li-Mn-O +mp-1174267,Li4Mn3CoO8,-7.1085417125,-1.9958189108,0.062842068,0.062842068,GGA+U,C2/m,AB4C3D8_mC32_12_a_2i_ci_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_3i_d2i_7i:Co-Li-Mn-O, expected Li6Mn5CoO14 to be Li4Mn3CoO8" +mp-1174270,Li4Mn3CoO8,-7.1389927663,-2.0262699645,0.0323910142,0.0323910142,GGA+U,C2/m,AB4C3D8_mC32_12_a_hi_be_2ij:Co-Li-Mn-O,32.0,AB4C3D8_mC32_12_a_hi_bf_2ij:Co-Li-Mn-O +mp-1297796,Li4Mn3CoO8,-7.1414481522,-2.0287253504,0.0299356283,0.0299356283,GGA+U,C2/c,AB4C3D8_mC64_15_c_2ef_abd_4f:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB4C3D8_mC64_15_a_2e2f_2b2c2d_11f:Co-Li-Mn-O, expected Li6Mn6CoO22 to be Li4Mn3CoO8" +mp-1174110,Li4Mn3CoO8,-7.0589619325,-1.9462391308,0.112421848,0.112421848,GGA+U,R-3m,AB4C3D8_hR48_166_a_bd_e_ch:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_bd_e_2c2h:Co-Li-Mn-O, expected Li4Mn3CoO16 to be Li4Mn3CoO8" +mp-1174314,Li4Mn3CoO8,-7.069872445,-1.9571496433,0.1015113355,0.1015113355,GGA+U,R-3m,AB4C3D8_hR48_166_a_2c_bc_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_2c_b2c_8c:Co-Li-Mn-O, expected Li4Mn5CoO16 to be Li4Mn3CoO8" +mp-1176657,LiMnCoO4,-7.122028435,-1.6983126066,0.1188372965,0.1188372965,GGA+U,P-1,ABCD4_aP14_2_af_bc_dh_4i:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_aP14_2_af_bc_dh_7i:Co-Li-Mn-O, expected LiMnCoO7 to be LiMnCoO4" +mp-753984,LiMnCoO4,-7.2138160964,-1.790100268,0.0270496351,0.0270496351,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_h2i:Co-Li-Mn-O, expected LiMnCoO6 to be LiMnCoO4" +mp-1176646,LiMnCoO4,-7.1276252557,-1.7039094273000002,0.1132404758,0.1132404758,GGA+U,Imma,ABCD4_oI28_74_a_b_c_hi:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_b_c_3h4i:Co-Li-Mn-O, expected LiMnCoO14 to be LiMnCoO4" +mp-1177382,Li4MnCo5O12,-6.81044886,-1.7331961205000002,0.0,-0.0270292838,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Co-Li-Mn-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2gh_j_c_4i5j:Co-Li-Mn-O, expected Li4Mn(CoO4)7 to be Li4MnCo5O12" +mp-756714,Li5Co5(SnO6)2,-6.4563506713,-1.7702835232,0.0628119727,0.0628119727,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Co-Li-O-Sn,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Co-Li-O-Sn, expected Li9Co5(SnO6)2 to be Li5Co5(SnO6)2" +mp-765629,Li5Mn5(CoO6)2,-7.3427393921,-1.9705897705,0.0440014479,0.0440014479,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Co-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2c_a2bc_12c:Co-Li-Mn-O, expected Li5Mn5(CoO12)2 to be Li5Mn5(CoO6)2" +mp-1639651,Li4Co5SnO12,-6.4959703023,-1.6529195372,0.0723747429,0.0723747429,GGA+U,P1,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Sn,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Sn +mp-1643264,Li4Co5SnO12,-6.493271105,-1.6502203399000002,0.0750739402,0.0750739402,GGA+U,P1,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Sn,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Sn +mp-1977794,Li4Co5SnO12,-6.4605936989,-1.6175429338,0.1077513463,0.1077513463,GGA+U,P-1,A5B4C12D_aP44_2_ae4i_4i_12i_i:Co-Li-O-Sn,44.0,"Invalid WP multiplicities - A5B4C12D_aP44_2_2a6i_7i_21i_i:Co-Li-O-Sn, expected Li7Co7SnO21 to be Li4Co5SnO12" +mp-1641817,Li4Co5SnO12,-6.4868099105,-1.6437591454,0.0815351347,0.0815351347,GGA+U,C2,A5B4C12D_mC44_5_2a3b_2c_6c_a:Co-Li-O-Sn,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_5_2a3b_2c_11c_a:Co-Li-O-Sn, expected Li4Co5SnO22 to be Li4Co5SnO12" +mp-1645496,Li4Co5SnO12,-6.4880887795,-1.6450380145,0.0802562656,0.0802562656,GGA+U,C2,A5B4C12D_mC88_5_3a3b2c_4c_12c_c:Co-Li-O-Sn,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_5_3a3b2c_8c_24c_c:Co-Li-O-Sn, expected Li8Co5SnO24 to be Li4Co5SnO12" +mp-1644567,Li4Co5SnO12,-6.500575185,-1.6575244199,0.0677698602,0.0677698602,GGA+U,C2,A5B4C12D_mC88_5_3a3b2c_4c_12c_c:Co-Li-O-Sn,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_5_3a3b2c_8c_23c_c:Co-Li-O-Sn, expected Li8Co5SnO23 to be Li4Co5SnO12" +mp-756712,Li4Co5SnO12,-6.520482375,-1.6774316099000002,0.0478626702,0.0478626702,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Co-Li-O-Sn,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Co-Li-O-Sn, expected Li4Co7SnO28 to be Li4Co5SnO12" +mp-1644852,Li4Co5SnO12,-6.4811113,-1.6380605349,0.0872337452,0.0872337452,GGA+U,C2/m,A5B4C12D_mC88_12_adghj_2j_4i4j_i:Co-Li-O-Sn,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_12_ad2g2hj_8j_8i16j_i:Co-Li-O-Sn, expected Li16Co7SnO40 to be Li4Co5SnO12" +mp-1977502,Li4Co5SnO12,-6.4809959916,-1.6379452265,0.0873490536,0.0873490536,GGA+U,C2/m,A5B4C12D_mC88_12_adghj_2j_4i4j_i:Co-Li-O-Sn,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_12_ac2ghj_7j_7i12j_i:Co-Li-O-Sn, expected Li14Co6SnO31 to be Li4Co5SnO12" +mp-1222848,Li2Mn2CoO8,-6.8772974331,-1.5831663713,0.126130697,0.126130697,GGA+U,C2/m,AB2C2D8_mC26_12_a_i_e_2ij:Co-Li-Mn-O,13.0,"Invalid WP multiplicities - AB2C2D8_mC26_12_a_i_f_4i2j:Co-Li-Mn-O, expected Li2Mn2CoO16 to be Li2Mn2CoO8" +mp-1287612,Mn5SnO8,-8.3696451268,-1.984419555,0.0767645607,0.0767645607,GGA+U,P1,A5B8C_aP28_1_10a_16a_2a:Mn-O-Sn,28.0,A5B8C_aP28_1_10a_16a_2a:Mn-O-Sn +mp-1297694,Mn5SnO8,-8.3717960436,-1.9865704718,0.0746136439,0.0746136439,GGA+U,C2,A5B8C_mC28_5_a2c_4c_b:Mn-O-Sn,28.0,"Invalid WP multiplicities - A5B8C_mC28_5_2a6c_6c_b:Mn-O-Sn, expected Mn14SnO12 to be Mn5SnO8" +mp-1221361,Mn5SnO8,-8.3581875614,-1.9729619896,0.0882221261,0.0882221261,GGA+U,I-4m2,A5B8C_tI28_119_ai_2i_c:Mn-O-Sn,28.0,"Invalid WP multiplicities - A5B8C_tI28_119_2a2i_2i_c:Mn-O-Sn, expected Mn10SnO8 to be Mn5SnO8" +mp-758340,Li4Mn3(SnO5)2,-6.9748491237,-2.1007560623,0.0603928387,0.0603928387,GGA+U,P-1,A4B3C10D2_aP38_2_4i_bd2i_10i_2i:Li-Mn-O-Sn,38.0,"Invalid WP multiplicities - A4B3C10D2_aP38_2_6i_bd2i_18i_2i:Li-Mn-O-Sn, expected Li6Mn3(SnO9)2 to be Li4Mn3(SnO5)2" +mp-773180,Li4Mn3Sn5O16,-6.9365198182,-2.1394978183,0.0046736434,0.0046736434,GGA+U,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Mn-O-Sn,56.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_2a2b_8a4b_3ab:Li-Mn-O-Sn, expected Li4Mn6Sn5O16 to be Li4Mn3Sn5O16" +mp-754275,Li4Mn3Co5O16,-7.0381026875,-1.6877331983,0.0612090684,0.0612090684,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Co-Li-Mn-O, expected Li4Mn3Co7O20 to be Li4Mn3Co5O16" +mp-754419,Li2Mn2SnO6,-7.1715344845,-2.0959362627,0.0503400545,0.0503400545,GGA+U,Cmce,A2B2C6D_oC44_64_e_d_fg_a:Li-Mn-O-Sn,22.0,A2B2C6D_oC44_64_e_d_fg_a:Li-Mn-O-Sn +mp-1174018,Li4MnCo3O8,-6.6224020209,-1.7663914063,0.0883018414,0.0883018414,GGA+U,P-1,A3B4CD8_aP32_2_3i_ab3i_cg_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_4i_ag4i_bc_14i:Co-Li-Mn-O, expected Li5Mn(Co2O7)2 to be Li4MnCo3O8" +mp-1174058,Li4MnCo3O8,-6.6501716138,-1.7941609991,0.0605322486,0.0605322486,GGA+U,P-1,A3B4CD8_aP16_2_bcd_2i_h_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_bcd_3i_h_7i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo3O8" +mp-1174071,Li4MnCo3O8,-6.64156331,-1.7855526954,0.0691405523,0.0691405523,GGA+U,P-1,A3B4CD8_aP16_2_ai_2i_b_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_a2i_3i_b_7i:Co-Li-Mn-O, expected Li6MnCo5O14 to be Li4MnCo3O8" +mp-1174081,Li4MnCo3O8,-6.5189722069,-1.6629615923,0.1917316555,0.1917316555,GGA+U,P-1,A3B4CD8_aP16_2_bi_dhi_c_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_b2i_dh2i_c_8i:Co-Li-Mn-O, expected Li6MnCo5O16 to be Li4MnCo3O8" +mp-1174090,Li4MnCo3O8,-6.6157222031,-1.7597115885,0.0949816592,0.0949816592,GGA+U,P-1,A3B4CD8_aP16_2_bi_2i_c_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_bi_3i_c_7i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo3O8" +mp-1174093,Li4MnCo3O8,-6.6526833406,-1.7966727260000002,0.0580205217,0.0580205217,GGA+U,P-1,A3B4CD8_aP16_2_ai_2i_e_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_a2i_3i_e_7i:Co-Li-Mn-O, expected Li6MnCo5O14 to be Li4MnCo3O8" +mp-1174103,Li4MnCo3O8,-6.6174238056,-1.761413191,0.0932800567,0.0932800567,GGA+U,P-1,A3B4CD8_aP16_2_abc_2i_g_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_abc_4i_g_8i:Co-Li-Mn-O, expected Li8MnCo3O16 to be Li4MnCo3O8" +mp-1174105,Li4MnCo3O8,-6.6347415913,-1.7787309766,0.0759622711,0.0759622711,GGA+U,P-1,A3B4CD8_aP16_2_ai_ehi_b_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_a2i_eh2i_b_8i:Co-Li-Mn-O, expected Li6MnCo5O16 to be Li4MnCo3O8" +mp-1174113,Li4MnCo3O8,-6.6157334888,-1.7597228741,0.0949703736,0.0949703736,GGA+U,P-1,A3B4CD8_aP16_2_ai_2i_b_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_ai_2i_b_8i:Co-Li-Mn-O, expected Li4MnCo3O16 to be Li4MnCo3O8" +mp-1174126,Li4MnCo3O8,-6.6315520281,-1.7755414135,0.0791518342,0.0791518342,GGA+U,P-1,A3B4CD8_aP16_2_ai_bci_g_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_a2i_bci_g_8i:Co-Li-Mn-O, expected Li4MnCo5O16 to be Li4MnCo3O8" +mp-1287590,Li4MnCo3O8,-6.6199262309,-1.7639156163,0.0907776314,0.0907776314,GGA+U,P-1,A3B4CD8_aP32_2_ab2i_cg3i_i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_ab2i_ab5i_i_14i:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo3O8" +mp-1395344,Li4MnCo3O8,-5.7001546169,-0.8441440023000001,1.0105492455,1.0105492455,GGA+U,P-1,A3B4CD8_aP16_2_abc_2i_g_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_abc_4i_g_8i:Co-Li-Mn-O, expected Li8MnCo3O16 to be Li4MnCo3O8" +mp-1173981,Li4MnCo3O8,-6.6317412794,-1.7757306648000002,0.078962583,0.078962583,GGA+U,P2/m,A3B4CD8_mP16_10_bm_cdn_h_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mP16_10_bm_cg2n_e_4m4n:Co-Li-Mn-O, expected Li6MnCo3O16 to be Li4MnCo3O8" +mp-1174024,Li4MnCo3O8,-6.6328454175000005,-1.7768348029,0.0778584448,0.0778584448,GGA+U,P2/m,A3B4CD8_mP16_10_aj_ghk_b_mno:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mP16_10_a2j_cf2l_b_2m2n4o:Co-Li-Mn-O, expected Li6MnCo5O24 to be Li4MnCo3O8" +mp-1174027,Li4MnCo3O8,-6.6264590694,-1.7704484548,0.084244793,0.084244793,GGA+U,P2/m,A3B4CD8_mP16_10_bcd_mn_h_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mP16_10_bce_2m2n_g_4m4n:Co-Li-Mn-O, expected Li8MnCo3O16 to be Li4MnCo3O8" +mp-1174232,Li4MnCo3O8,-6.5882402963,-1.7322296816,0.1224635661,0.1224635661,GGA+U,P2/m,A3B4CD8_mP16_10_an_cdn_g_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mP16_10_a2n_cg2n_d_4m4n:Co-Li-Mn-O, expected Li6MnCo5O16 to be Li4MnCo3O8" +mp-861547,Li4MnCo3O8,-6.6346689731,-1.7786583585,0.0760348892,0.0760348892,GGA+U,C2/m,A3B4CD8_mC32_12_ae_cdf_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_af_cd2e_b_4i3j:Co-Li-Mn-O, expected Li6MnCo3O20 to be Li4MnCo3O8" +mp-1174023,Li4MnCo3O8,-6.5332107163,-1.6772001016,0.1774931461,0.1774931461,GGA+U,C2/m,A3B4CD8_mC32_12_ah_ei_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2h_2f2i_b_4i4j:Co-Li-Mn-O, expected Li8MnCo5O24 to be Li4MnCo3O8" +mp-1174043,Li4MnCo3O8,-6.5968532244,-1.7408426098,0.113850638,0.113850638,GGA+U,C2/m,A3B4CD8_mC32_12_ai_2i_c_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2i_2i_d_8i:Co-Li-Mn-O, expected Li4MnCo5O16 to be Li4MnCo3O8" +mp-1174080,Li4MnCo3O8,-6.6183016156,-1.762291001,0.0924022467,0.0924022467,GGA+U,C2/m,A3B4CD8_mC32_12_ai_2i_d_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2i_2i_c_8i:Co-Li-Mn-O, expected Li4MnCo5O16 to be Li4MnCo3O8" +mp-1174135,Li4MnCo3O8,-6.6293472094,-1.7733365948,0.081356653,0.081356653,GGA+U,C2/m,A3B4CD8_mC32_12_ae_hi_b_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_af_h2i_b_3i2j:Co-Li-Mn-O, expected Li6MnCo3O14 to be Li4MnCo3O8" +mp-1174140,Li4MnCo3O8,-6.5671599919,-1.7111493773,0.1435438705,0.1435438705,GGA+U,C2/m,A3B4CD8_mC32_12_ai_2i_d_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2i_2i_d_8i:Co-Li-Mn-O, expected Li4MnCo5O16 to be Li4MnCo3O8" +mp-1174166,Li4MnCo3O8,-6.6175183544,-1.7615077398,0.093185508,0.093185508,GGA+U,C2/m,A3B4CD8_mC32_12_ai_2i_d_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2i_2i_d_8i:Co-Li-Mn-O, expected Li4MnCo5O16 to be Li4MnCo3O8" +mp-1174054,Li4MnCo3O8,-6.6207998706,-1.764789256,0.0899039917,0.0899039917,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_ae_b_2c2h:Co-Li-Mn-O, expected Li4MnCo3O16 to be Li4MnCo3O8" +mp-1174154,Li4MnCo3O8,-6.6009121744,-1.7449015598000002,0.109791688,0.109791688,GGA+U,R-3m,A3B4CD8_hR48_166_ac_2c_b_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_a2c_3c_b_7c:Co-Li-Mn-O, expected Li6MnCo5O14 to be Li4MnCo3O8" +mp-774784,Li4Mn3Co2Sn3O16,-6.9570863714,-1.9387253758,0.0731424203,0.0731424203,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Co-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Co-Li-Mn-O-Sn, expected Li4Mn3Co2Sn3O20 to be Li4Mn3Co2Sn3O16" +mp-753584,Li2Co2SnO6,-6.4273104845,-1.7251118077,0.1244841736,0.1244841736,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Co-Li-O-Sn,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_d_e_2f2g_a:Co-Li-O-Sn, expected Li2Co2SnO12 to be Li2Co2SnO6" +mp-1306790,Li2Mn3CoO8,-7.489368475,-1.9189599682,0.0346052079,0.0266656444,GGA+U,P-1,AB2C3D8_aP28_2_cf_2i_abehi_8i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_aP28_2_2b_4i_bc2e2i_16i:Co-Li-Mn-O, expected Li4Mn4CoO16 to be Li2Mn3CoO8" +mp-1304017,Li2Mn3CoO8,-7.5234118704,-1.9530033636,0.0005618125,-0.007377751,GGA+U,P2/m,AB2C3D8_mP28_10_bg_mn_ceo_2m2n2o:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mP28_10_ae_2m2n_cho_4m4n8o:Co-Li-Mn-O, expected Li4Mn3CoO24 to be Li2Mn3CoO8" +mp-1287701,Li2Mn3CoO8,-7.5239736829,-1.9535651761,0.0,-0.0079395635,GGA+U,C2/m,AB2C3D8_mC28_12_a_i_ce_2ij:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mC28_12_c_i_2a2e_3i3j:Co-Li-Mn-O, expected Li2Mn6CoO18 to be Li2Mn3CoO8" +mp-775027,Li2Mn3CoO8,-7.4935031579,-1.9230946511,0.030470525,0.0225309615,GGA+U,R3m,AB2C3D8_hR42_160_a_2a_b_2a2b:Co-Li-Mn-O,14.0,AB2C3D8_hR42_160_a_2a_b_2a2b:Co-Li-Mn-O +mp-774822,Li2Mn3CoO8,-7.5061874021,-1.9357788954,0.0177862807,0.0098467173,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Co-Li-Mn-O,14.0,AB2C3D8_hR42_166_a_c_d_ch:Co-Li-Mn-O +mp-754784,Li2Mn3CoO8,-7.4862202468,-1.91581174,0.0377534361,0.0298138726,GGA+U,P6_3mc,AB2C3D8_hP28_186_b_ab_c_ab2c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_hP28_186_b_a2b_c_a2b9c:Co-Li-Mn-O, expected Li3Mn3CoO30 to be Li2Mn3CoO8" +mp-757513,Li2Mn3CoO8,-7.519300917,-1.9488924102,0.0046727659,-0.0032667976,GGA+U,P2_13,AB2C3D8_cP56_198_a_2a_b_2a2b:Co-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_198_a_5a_b_8a13b:Co-Li-Mn-O, expected Li5Mn3CoO47 to be Li2Mn3CoO8" +mp-1177935,Li2Mn3CoO8,-7.4488193852,-1.8784108784,0.0751542977,0.0672147342,GGA+U,P4_332,AB2C3D8_cP56_212_a_c_d_ce:Co-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_212_a_c_d_8c9e:Co-Li-Mn-O, expected Li2Mn3CoO70 to be Li2Mn3CoO8" +mp-777041,Li4Mn3Co3(SnO8)2,-7.0336884312,-1.9046579378,0.0286696228,0.0286696228,GGA+U,P1,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sn,56.0,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sn +mp-1661403,Li4Mn3Co3(SnO8)2,-7.0163667982,-1.8873363047,0.0459912558,0.0459912558,GGA+U,P1,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sn,56.0,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sn +mp-776237,Li4Mn3Co3(SnO8)2,-7.0276271571,-1.8985966636,0.0347308969,0.0347308969,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Mn-O-Sn, expected Li4Mn3Co3(SnO10)2 to be Li4Mn3Co3(SnO8)2" +mp-1277684,Li2MnCo3O8,-6.8432274596,-1.5662043096,0.113446063,0.1050560672,GGA+U,P-1,A3B2CD8_aP28_2_abcefh_2i_dg_8i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_aP28_2_abcefh_2i_dg_13i:Co-Li-Mn-O, expected Li2MnCo3O13 to be Li2MnCo3O8" +mp-1304075,Li2MnCo3O8,-6.8368353436,-1.5598121935,0.1198381791,0.1114481833,GGA+U,P-1,A3B2CD8_aP14_2_ace_bf_d_4i:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_aP14_2_ace_bf_d_7i:Co-Li-Mn-O, expected Li2MnCo3O14 to be Li2MnCo3O8" +mp-1306185,Li2MnCo3O8,-6.8400707207,-1.5630475707,0.116602802,0.1082128062,GGA+U,P-1,A3B2CD8_aP28_2_abcefh_2i_dg_8i:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_aP28_2_abcefh_2i_dg_13i:Co-Li-Mn-O, expected Li2MnCo3O13 to be Li2MnCo3O8" +mp-761940,Li2MnCo3O8,-6.9566735227,-1.6796503726,0.0,-0.0083899958,GGA+U,C2,A3B2CD8_mC112_5_ab5c_4c_abc_16c:Co-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_213_d_c_a_8c9e:Co-Li-Mn-O, expected Li2MnCo3O70 to be Li2MnCo3O8" +mp-755265,Li2MnCo3O8,-6.9109515164,-1.6339283664000002,0.0457220063,0.0373320104,GGA+U,C2/m,A3B2CD8_mC28_12_ae_f_b_2ij:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_af_e_b_3i2j:Co-Li-Mn-O, expected Li2MnCo3O14 to be Li2MnCo3O8" +mp-754108,Li2MnCo3O8,-6.8956036207,-1.6185804707,0.061069902,0.0526799062,GGA+U,C2/m,A3B2CD8_mC28_12_ae_cd_b_2ij:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_ce_ab_d_3i2j:Co-Li-Mn-O, expected Li2MnCo3O14 to be Li2MnCo3O8" +mp-1291754,Li2MnCo3O8,-6.8613620307000005,-1.5843388807,0.095311492,0.0869214962,GGA+U,P2/c,A3B2CD8_mP28_13_ace_2f_e_4g:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_mP28_13_2acf_2e_f_7g:Co-Li-Mn-O, expected Li2Mn(Co2O7)2 to be Li2MnCo3O8" +mp-1306729,Li2MnCo3O8,-6.8671256954,-1.5901025453000002,0.0895478273,0.0811578315,GGA+U,C2/c,A3B2CD8_mC56_15_abe_f_e_4f:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_mC56_15_cd2e_f_e_7f:Co-Li-Mn-O, expected Li2Mn(Co2O7)2 to be Li2MnCo3O8" +mp-753177,Li2MnCo3O8,-6.9218178064,-1.6447946564,0.0348557163,0.0264657204,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Co-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2c3h:Co-Li-Mn-O, expected Li2MnCo3O22 to be Li2MnCo3O8" +mp-757026,Li2MnCo3O8,-6.9001900368,-1.6231668868,0.0564834859,0.0480934901,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Co-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Co-Li-Mn-O, expected Li3Mn(CoO10)3 to be Li2MnCo3O8" +mp-757572,Li2MnCo3O8,-6.9395998591,-1.6625767091,0.0170736636,0.0086836678,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Co-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Co-Li-Mn-O, expected Li2MnCo3O70 to be Li2MnCo3O8" +mp-1174375,Li5Mn2CoO8,-6.69253641,-2.0331318848,0.040572435,0.040572435,GGA+U,P1,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O +mp-1174382,Li5Mn2CoO8,-6.6909034909,-2.0314989658,0.0422053541,0.0422053541,GGA+U,P1,AB5C2D8_aP32_1_2a_10a_4a_16a:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_mP16_3_a_2bc2d_2ac_8e:Co-Li-Mn-O, expected Li5Mn3CoO16 to be Li5Mn2CoO8" +mp-1174383,Li5Mn2CoO8,-6.6883844450000005,-2.0289799198,0.0447244,0.0447244,GGA+U,P1,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O +mp-1174406,Li5Mn2CoO8,-6.6194241881,-1.960019663,0.1136846569,0.1136846569,GGA+U,P1,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O +mp-1392819,Li5Mn2CoO8,-5.3760894519,-0.7166849267000001,1.3570193931,1.3570193931,GGA+U,P1,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_aP16_1_a_5a_2a_8a:Co-Li-Mn-O +mp-1174006,Li5Mn2CoO8,-6.6823618672,-2.022957342,0.0507469778,0.0507469778,GGA+U,P-1,AB5C2D8_aP32_2_bc_5i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_bc_8i_2i_14i:Co-Li-Mn-O, expected Li8Mn2CoO14 to be Li5Mn2CoO8" +mp-1174009,Li5Mn2CoO8,-6.6877761287,-2.0283716036,0.0453327163,0.0453327163,GGA+U,P-1,AB5C2D8_aP16_2_a_c2i_bg_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_aP16_2_a_c4i_bg_8i:Co-Li-Mn-O, expected Li9Mn2CoO16 to be Li5Mn2CoO8" +mp-1174324,Li5Mn2CoO8,-6.5797884675,-1.9203839423,0.1533203775,0.1533203775,GGA+U,P-1,AB5C2D8_aP16_2_b_h2i_cd_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_aP16_2_b_h3i_cd_7i:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1174333,Li5Mn2CoO8,-6.579316615,-1.9199120898,0.15379223,0.15379223,GGA+U,P-1,AB5C2D8_aP16_2_a_e2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_aP16_2_a_e3i_i_7i:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1174361,Li5Mn2CoO8,-6.6693860725,-2.0099815473,0.0637227725,0.0637227725,GGA+U,P-1,AB5C2D8_aP16_2_a_b2i_i_4i:Co-Li-Mn-O,32.0,AB5C2D8_aP16_2_a_b2i_i_4i:Co-Li-Mn-O +mp-1273567,Li5Mn2CoO8,-6.65951599,-2.0001114648,0.073592855,0.073592855,GGA+U,P-1,AB5C2D8_aP16_2_a_bcgi_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_aP16_2_b_b2c2i_i_7i:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1292609,Li5Mn2CoO8,-6.6637953675,-2.0043908423,0.0693134775,0.0693134775,GGA+U,P-1,AB5C2D8_aP16_2_b_cdhi_i_4i:Co-Li-Mn-O,32.0,AB5C2D8_aP16_2_c_b2di_i_4i:Co-Li-Mn-O +mp-1297691,Li5Mn2CoO8,-6.6521666763,-1.9927621511,0.0809421688,0.0809421688,GGA+U,P-1,AB5C2D8_aP32_2_bc_dh4i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_bc_dh5i_2i_14i:Co-Li-Mn-O, expected Li6Mn2CoO14 to be Li5Mn2CoO8" +mp-1290640,Li5Mn2CoO8,-6.6733496634,-2.0139451383,0.0597591816,0.0597591816,GGA+U,P-1,AB5C2D8_aP32_2_bd_5i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_be_8i_3i_14i:Co-Li-Mn-O, expected Li8Mn3CoO14 to be Li5Mn2CoO8" +mp-1291385,Li5Mn2CoO8,-6.6722820534,-2.0128775283,0.0608267916,0.0608267916,GGA+U,P-1,AB5C2D8_aP16_2_b_e2i_i_4i:Co-Li-Mn-O,32.0,AB5C2D8_aP16_2_b_e2i_i_4i:Co-Li-Mn-O +mp-1304644,Li5Mn2CoO8,-6.672707705,-2.0133031798,0.06040114,0.06040114,GGA+U,P-1,AB5C2D8_aP32_2_be_5i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_be_8i_2i_14i:Co-Li-Mn-O, expected Li8Mn2CoO14 to be Li5Mn2CoO8" +mp-1310376,Li5Mn2CoO8,-6.6787998209,-2.0193952958,0.0543090241,0.0543090241,GGA+U,P-1,AB5C2D8_aP32_2_bc_dh4i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_bc_dh5i_4i_15i:Co-Li-Mn-O, expected Li6Mn4CoO15 to be Li5Mn2CoO8" +mp-1314680,Li5Mn2CoO8,-6.6809739762,-2.0215694511,0.0521348688,0.0521348688,GGA+U,P-1,AB5C2D8_aP32_2_ae_bh4i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_ah_be6i_2i_12i:Co-Li-Mn-O, expected Li7Mn2CoO12 to be Li5Mn2CoO8" +mp-1302354,Li5Mn2CoO8,-6.6726620328,-2.0132575077,0.0604468122,0.0604468122,GGA+U,P-1,AB5C2D8_aP32_2_ah_be4i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_ah_be6i_2i_14i:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1301686,Li5Mn2CoO8,-6.6706622156,-2.0112576905,0.0624466294,0.0624466294,GGA+U,P-1,AB5C2D8_aP32_2_ae_5i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_ae_8i_2i_14i:Co-Li-Mn-O, expected Li8Mn2CoO14 to be Li5Mn2CoO8" +mp-1174385,Li5Mn2CoO8,-6.6941632225,-2.0347586973,0.0389456225,0.0389456225,GGA+U,P2,AB5C2D8_mP16_3_a_2bc2d_ac_4e:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_mP16_3_a_2bc2d_ac_8e:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1174329,Li5Mn2CoO8,-6.6934672038,-2.0340626786,0.0396416413,0.0396416413,GGA+U,C2,AB5C2D8_mC32_5_a_b2c_ab_4c:Co-Li-Mn-O,16.0,AB5C2D8_mC32_5_a_b2c_ab_4c:Co-Li-Mn-O +mp-1174400,Li5Mn2CoO8,-6.6108724412,-1.9514679161,0.1222364038,0.1222364038,GGA+U,Pm,AB5C2D8_mP16_6_a_2a3b_ab_4a4b:Co-Li-Mn-O,16.0,AB5C2D8_mP16_6_a_2a3b_ab_4a4b:Co-Li-Mn-O +mp-1174411,Li5Mn2CoO8,-6.6431655531,-1.983761028,0.0899432919,0.0899432919,GGA+U,Pm,AB5C2D8_mP16_6_a_2a3b_ab_4a4b:Co-Li-Mn-O,16.0,AB5C2D8_mP16_6_a_2a3b_ab_4a4b:Co-Li-Mn-O +mp-1174417,Li5Mn2CoO8,-6.6162736588,-1.9568691336,0.1168351863,0.1168351863,GGA+U,Cm,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O +mp-1174420,Li5Mn2CoO8,-6.6011979163,-1.9417933911,0.1319109288,0.1319109288,GGA+U,Cm,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O +mp-1174428,Li5Mn2CoO8,-6.615589185,-1.9561846598,0.11751966,0.11751966,GGA+U,Cm,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O +mp-1174474,Li5Mn2CoO8,-6.4820034144,-1.8225988892,0.2511054306,0.2511054306,GGA+U,Cm,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_mC32_8_a_5a_2a_8a:Co-Li-Mn-O +mp-1174134,Li5Mn2CoO8,-6.6846457012,-2.0252411761,0.0484631438,0.0484631438,GGA+U,P2/m,AB5C2D8_mP16_10_a_bghk_j_mno:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mP16_10_a_bcf2l_j_2m2n4o:Co-Li-Mn-O, expected Li7Mn2CoO24 to be Li5Mn2CoO8" +mp-1174334,Li5Mn2CoO8,-6.6667522431,-2.007347718,0.0663566019,0.0663566019,GGA+U,P2/m,AB5C2D8_mP16_10_b_cdhn_m_2m2n:Co-Li-Mn-O,32.0,AB5C2D8_mP16_10_b_cegn_m_2m2n:Co-Li-Mn-O +mp-1174343,Li5Mn2CoO8,-6.6318392525,-1.9724347273,0.1012695925,0.1012695925,GGA+U,P2/m,AB5C2D8_mP16_10_b_hmn_cd_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mP16_10_b_emn_cg_4m4n:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1174346,Li5Mn2CoO8,-6.682363,-2.0229584748,0.050745845,0.050745845,GGA+U,P2/m,AB5C2D8_mP16_10_a_cdgn_n_2m2n:Co-Li-Mn-O,32.0,AB5C2D8_mP16_10_a_cdgn_n_2m2n:Co-Li-Mn-O +mp-1174355,Li5Mn2CoO8,-6.6338090375,-1.9744045123,0.0992998075,0.0992998075,GGA+U,P2/m,AB5C2D8_mP16_10_b_cmn_dh_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mP16_10_b_cmn_eg_4m4n:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1174357,Li5Mn2CoO8,-6.5766626656,-1.9172581405,0.1564461794,0.1564461794,GGA+U,P2/m,AB5C2D8_mP16_10_b_dmn_ch_2m2n:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mP16_10_b_gmn_ce_4m4n:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1313101,Li5Mn2CoO8,-6.6614822559,-2.0020777308,0.0716265891,0.0716265891,GGA+U,P2/m,AB5C2D8_mP32_10_bh_cdm3n_2m_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_mP32_10_be_cgm4n_2m_7m7n:Co-Li-Mn-O, expected Li6Mn2CoO14 to be Li5Mn2CoO8" +mp-1320662,Li5Mn2CoO8,-6.6789393184,-2.0195347933,0.0541695266,0.0541695266,GGA+U,P2/m,AB5C2D8_mP32_10_ae_ch2m2n_mn_4m4n:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_mP32_10_ah_ce2m4n_mn_6m6n:Co-Li-Mn-O, expected Li7Mn2CoO12 to be Li5Mn2CoO8" +mp-1173973,Li5Mn2CoO8,-6.6862969413,-2.0268924161,0.0468119038,0.0468119038,GGA+U,C2/m,AB5C2D8_mC32_12_a_bei_h_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mC32_12_a_b2ei_h_4i2j:Co-Li-Mn-O, expected Li7Mn2CoO16 to be Li5Mn2CoO8" +mp-1173979,Li5Mn2CoO8,-6.6861981375,-2.0267936123,0.0469107075,0.0469107075,GGA+U,C2/m,AB5C2D8_mC32_12_a_bhi_e_2ij:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mC32_12_a_bh2i_f_3i2j:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1174049,Li5Mn2CoO8,-6.6849430725,-2.0255385473,0.0481657725,0.0481657725,GGA+U,C2/m,AB5C2D8_mC32_12_a_bcdf_e_2ij:Co-Li-Mn-O,32.0,AB5C2D8_mC32_12_a_bcde_f_2ij:Co-Li-Mn-O +mp-1174091,Li5Mn2CoO8,-6.6707143487,-2.0113098236,0.0623944963,0.0623944963,GGA+U,C2/m,AB5C2D8_mC32_12_a_c2i_i_4i:Co-Li-Mn-O,32.0,AB5C2D8_mC32_12_a_d2i_i_4i:Co-Li-Mn-O +mp-1174098,Li5Mn2CoO8,-6.6759019028,-2.0164973777,0.0572069422,0.0572069422,GGA+U,C2/m,AB5C2D8_mC32_12_a_d2i_i_4i:Co-Li-Mn-O,32.0,AB5C2D8_aP16_2_b_c2i_i_4i:Co-Li-Mn-O +mp-1174121,Li5Mn2CoO8,-6.5758000494,-1.9163955242,0.1573087956,0.1573087956,GGA+U,C2/m,AB5C2D8_mC32_12_a_d2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mC32_12_a_c2i_i_8i:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1174167,Li5Mn2CoO8,-6.3840094812,-1.7246049561,0.3490993638,0.3490993638,GGA+U,C2/m,AB5C2D8_mC32_12_a_d2i_i_4i:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_mC32_12_a_d2i_i_8i:Co-Li-Mn-O, expected Li5Mn2CoO16 to be Li5Mn2CoO8" +mp-1295190,Li5Mn2CoO8,-6.6540473044,-1.9946427792,0.0790615406,0.0790615406,GGA+U,C2/m,AB5C2D8_mC64_12_ab_fg2hi_j_2i3j:Co-Li-Mn-O,32.0,AB5C2D8_mP16_10_a_bcfl_j_mno:Co-Li-Mn-O +mp-1304043,Li5Mn2CoO8,-6.6814091116,-2.0220045864,0.0516997334,0.0516997334,GGA+U,C2/m,AB5C2D8_mC64_12_ad_5i_2i_8i:Co-Li-Mn-O,32.0,"Invalid WP multiplicities - AB5C2D8_aP32_2_be_8i_2i_14i:Co-Li-Mn-O, expected Li8Mn2CoO14 to be Li5Mn2CoO8" +mp-1174601,Li5Mn2CoO8,-6.4430177313,-1.7836132061,0.2900911137,0.2900911137,GGA+U,R3m,AB5C2D8_hR48_160_a_5a_2a_8a:Co-Li-Mn-O,16.0,AB5C2D8_hR48_160_a_5a_2a_8a:Co-Li-Mn-O +mp-1174567,Li5Mn2CoO8,-6.4549938556,-1.7955893305,0.2781149894,0.2781149894,GGA+U,R-3m,AB5C2D8_hR48_166_a_b2c_c_4c:Co-Li-Mn-O,16.0,"Invalid WP multiplicities - AB5C2D8_hR48_166_a_b3c_c_7c:Co-Li-Mn-O, expected Li7Mn2CoO14 to be Li5Mn2CoO8" +mp-1275184,BaLaMn2O6,-8.17597229,-2.6900578003,0.1514038253,0.1514038253,GGA+U,Cc,ABC2D6_mC40_9_a_a_2a_6a:Ba-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_mC40_9_a_a_4a_10a:Ba-La-Mn-O, expected BaLaMn4O10 to be BaLaMn2O6" +mp-1275970,BaLaMn2O6,-8.15112696,-2.6652124703,0.1762491553,0.1762491553,GGA+U,I-4m2,ABC2D6_tI20_119_c_d_ab_eg:Ba-La-Mn-O,10.0,ABC2D6_tI20_119_c_d_ab_eg:Ba-La-Mn-O +mp-19245,BaLaMn2O6,-8.217453315,-2.7315388253,0.1099228003,0.1099228003,GGA+U,P4/mmm,ABC2D6_tP10_123_c_d_g_abi:Ba-La-Mn-O,10.0,ABC2D6_tP10_123_c_d_g_abi:Ba-La-Mn-O +mp-1295929,BaLaMn2O6,-8.160415441,-2.6745009513,0.1669606743,0.1669606743,GGA+U,I4/mmm,ABC2D6_tI20_139_a_b_d_cf:Ba-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_tI20_139_a_b_d_c2f:Ba-La-Mn-O, expected BaLaMn2O10 to be BaLaMn2O6" +mp-1227844,BaLaMn2O6,-8.172284813,-2.6863703233000003,0.1550913023,0.1550913023,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Ba-La-Mn-O,10.0,ABC2D6_cF40_225_a_b_c_d:Ba-La-Mn-O +mp-1273441,BaLa3Mn4O12,-8.489736366,-2.8529702681,0.1574558883,0.1574558883,GGA+U,P1,AB3C4D12_aP20_1_a_3a_4a_12a:Ba-La-Mn-O,20.0,AB3C4D12_aP20_1_a_3a_4a_12a:Ba-La-Mn-O +mp-1228047,BaLa3Mn4O12,-8.5015197955,-2.8647536976,0.1456724588,0.1456724588,GGA+U,P2,AB3C4D12_mP20_3_a_bcd_2e_abcd4e:Ba-La-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mP20_3_a_bcd_4e_abcd7e:Ba-La-Mn-O, expected BaLa3Mn8O18 to be BaLa3Mn4O12" +mp-1314330,BaLa3Mn4O12,-8.474878025,-2.8381119271,0.1723142293,0.1723142293,GGA+U,C2/m,AB3C4D12_mC40_12_a_bf_cde_gi2j:Ba-La-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mC40_12_a_b2f_cde_gi7j:Ba-La-Mn-O, expected BaLa5Mn4O32 to be BaLa3Mn4O12" +mp-743768,BaLa3Mn4O12,-8.499986641,-2.8632205431,0.1472056133,0.1472056133,GGA+U,R-3c,AB3C4D12_hR120_167_a_e_bd_2ef:Ba-La-Mn-O,40.0,"Invalid WP multiplicities - AB3C4D12_hR120_167_a_e_2b2d_12e7f:Ba-La-Mn-O, expected BaLa3Mn8O78 to be BaLa3Mn4O12" +mp-1227923,BaLa3Mn4O12,-8.4858103005,-2.8490442026,0.1613819538,0.1613819538,GGA+U,Im-3m,AB3C4D12_cI40_229_a_b_c_h:Ba-La-Mn-O,20.0,AB3C4D12_cI40_229_a_b_c_h:Ba-La-Mn-O +mp-1214651,Ba2La2Mn4O11,-8.3048485195,-2.7905537257,0.052853537,0.052853537,GGA+U,Cmmm,A2B2C4D11_oC38_65_f_j_2g_ag2hp:Ba-La-Mn-O,19.0,A2B2C4D11_oC38_65_f_j_2g_ag2hp:Ba-La-Mn-O +mp-690460,BaLa2Mn3O9,-8.4078728903,-2.8213906618,0.1356846938,0.1356846938,GGA+U,P-3c1,AB2C3D9_hP30_165_a_d_bd_fg:Ba-La-Mn-O,30.0,"Invalid WP multiplicities - AB2C3D9_hP30_165_a_d_b2d_3f4g:Ba-La-Mn-O, expected BaLa2Mn5O33 to be BaLa2Mn3O9" +mp-1281647,Ba2LaMn2O7,-7.9030914112,-2.7593573656,0.0827016217,0.0827016217,GGA+U,Cmcm,A2BC2D7_oC48_63_2c_c_2c_3ch:Ba-La-Mn-O,24.0,"Invalid WP multiplicities - A2BC2D7_oC48_63_4c_c_2c_5ch:Ba-La-Mn-O, expected Ba4LaMn2O9 to be Ba2LaMn2O7" +mp-1279234,Ba2LaMn2O7,-7.9185066642,-2.7747726185,0.0672863688,0.0672863688,GGA+U,Cmmm,A2BC2D7_oC48_65_gh_ac_gh_bdghr:Ba-La-Mn-O,24.0,"Invalid WP multiplicities - A2BC2D7_oC48_65_2gh_ac_gh_bd2ghr:Ba-La-Mn-O, expected Ba3LaMn2O8 to be Ba2LaMn2O7" +mp-1272850,Ba2LaMn2O7,-7.9229430525,-2.7792090068,0.0628499804,0.0628499804,GGA+U,Immm,A2BC2D7_oI24_71_e_a_e_be2f:Ba-La-Mn-O,24.0,"Invalid WP multiplicities - A2BC2D7_oI24_71_e_a_e_be4f:Ba-La-Mn-O, expected Ba2LaMn2O11 to be Ba2LaMn2O7" +mp-1228437,Ba2LaMn2O7,-7.9267623342,-2.7830282885,0.0590306988,0.0590306988,GGA+U,I4/mmm,A2BC2D7_tI24_139_e_a_e_beg:Ba-La-Mn-O,12.0,A2BC2D7_tI24_139_e_a_e_beg:Ba-La-Mn-O +mp-20399,Ba2MnMoO6,-7.9829948435,-2.6304200885,0.0,-0.0703190499,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Mo-O,20.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Mo-O +mp-40356,BaLaMnMoO6,-8.299269618,-2.6449916465000003,0.1935011793,0.1935011793,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-La-Mn-Mo-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-La-Mn-Mo-O +mp-1228080,BaLa4Mn5O15,-8.5388412484,-2.8719048288,0.170531808,0.170531808,GGA+U,C2/m,AB4C5D15_mC50_12_a_2i_c2i_bf2i2j:Ba-La-Mn-O,25.0,"Invalid WP multiplicities - AB4C5D15_mC50_12_b_3i_c3i_a2e4i5j:Ba-La-Mn-O, expected BaLa6Mn7O33 to be BaLa4Mn5O15" +mp-1228230,BaLa3Mn4O10,-8.58002799,-2.8665866269,0.0591000064,0.0591000064,GGA+U,Cc,AB3C4D10_mC72_9_a_3a_4a_10a:Ba-La-Mn-O,36.0,"Invalid WP multiplicities - AB3C4D10_mC72_9_a_4a_5a_15a:Ba-La-Mn-O, expected BaLa4Mn5O15 to be BaLa3Mn4O10" +mp-557014,Rb5ErHf(MoO4)6,-7.9302374185,-2.4377507176,0.0,-0.0098394343,GGA+U,R-3c,ABC6D24E5_hR222_167_b_a_f_4f_ce:Er-Hf-Mo-O-Rb,74.0,"Invalid WP multiplicities - ABC6D24E5_hR222_167_b_a_f_34f_2c2e:Er-Hf-Mo-O-Rb, expected Rb10ErHf(MoO34)6 to be Rb5ErHf(MoO4)6" +mp-1209244,RbEr(MoO4)2,-8.0933198,-2.5255645673,0.0258724519,-0.0015258414,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:Er-Mo-O-Rb,24.0,AB2C8D_mC48_15_e_f_4f_e:Er-Mo-O-Rb +mp-1209587,RbEr(MoO4)2,-8.1191922519,-2.5514370192,0.0,-0.0273982932,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:Er-Mo-O-Rb,48.0,AB2C8D_oP48_60_c_d_4d_c:Er-Mo-O-Rb +mp-557890,Er2Hf2O7,-9.7996982782,-4.0109131274,0.0266543986,0.0266543986,GGA,Fd-3m,A2B2C7_cF88_227_c_d_af:Er-Hf-O,22.0,"Invalid WP multiplicities - A2B2C7_cF88_227_c_d_2a2f:Er-Hf-O, expected ErHfO7 to be Er2Hf2O7" +mp-1199670,Rb5Er(MoO4)4,-7.4436522071,-2.3667287843,0.0,-0.0043284889,GGA+U,P2/c,AB4C16D5_mP52_13_e_2g_8g_f2g:Er-Mo-O-Rb,52.0,AB4C16D5_mP52_13_e_2g_8g_f2g:Er-Mo-O-Rb +mp-1209493,Rb8Hf(MoO4)6,-7.4824454536,-2.3133200346,0.0,-0.0076478711,GGA+U,C2/m,AB6C24D8_mC78_12_a_ij_2i5j_hij:Hf-Mo-O-Rb,39.0,AB6C24D8_mC78_12_a_ij_2i5j_hij:Hf-Mo-O-Rb +mp-1647269,SrLa3Cr4O12,-8.7638992255,-3.0404007663,0.0190520419,0.0190520419,GGA+U,P1,A4B3C12D_aP20_1_4a_3a_12a_a:Cr-La-O-Sr,20.0,A4B3C12D_aP20_1_4a_3a_12a_a:Cr-La-O-Sr +mp-1218265,SrLa3Cr4O12,-8.751909814,-3.0284113548,0.0310414534,0.0310414534,GGA+U,P2,A4B3C12D_mP20_3_2e_abc_abcd4e_d:Cr-La-O-Sr,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_3_4e_abc_abcd4e_d:Cr-La-O-Sr, expected SrLa3Cr8O12 to be SrLa3Cr4O12" +mp-1378182,LaCrFeO6,-7.9635435606,-2.1036315547,0.2410740858,0.2410740858,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Cr-Fe-La-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_10a:Cr-Fe-La-O, expected LaCrFeO10 to be LaCrFeO6" +mp-1223369,La2CrFeO6,-8.7881443145,-3.0206227987,0.0049151517,0.0049151517,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Cr-Fe-La-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_d_e_5e:Cr-Fe-La-O, expected La2CrFeO10 to be La2CrFeO6" +mp-1650920,SrLa4Cr5O15,-8.7820632904,-3.0260996947,0.060939896,0.060939896,GGA+U,Cm,A5B4C15D_mC50_8_5a_4a_5a5b_a:Cr-La-O-Sr,25.0,"Invalid WP multiplicities - A5B4C15D_mC50_8_5a_4a_5a8b_a:Cr-La-O-Sr, expected SrLa4Cr5O21 to be SrLa4Cr5O15" +mp-1218283,SrLa4Cr5O15,-8.7666877108,-3.0107241151,0.0763154756,0.0763154756,GGA+U,C2/m,A5B4C15D_mC50_12_c2i_2i_bf2i2j_a:Cr-La-O-Sr,25.0,"Invalid WP multiplicities - A5B4C15D_mC50_12_c3i_3i_a2e4i6j_b:Cr-La-O-Sr, expected SrLa6Cr7O37 to be SrLa4Cr5O15" +mp-1218634,Sr4LaCrFe4O15,-7.5963922332,-2.4192944773,0.0460979313,0.0460979313,GGA+U,Cm,AB4CD15E4_mC50_8_a_4a_a_5a5b_4a:Cr-Fe-La-O-Sr,25.0,"Invalid WP multiplicities - AB4CD15E4_mC50_8_a_4a_a_5a10b_4a:Cr-Fe-La-O-Sr, expected Sr4LaCrFe4O25 to be Sr4LaCrFe4O15" +mp-1079391,Sr2LaCrO6,-7.51592683,-2.7511094551,0.2369302485,0.2369302485,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-La-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-La-O-Sr +mp-1218189,SrLaCrO4,-8.3275413932,-3.1753552685,0.0,-0.0121570414,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Cr-La-O-Sr,28.0,ABC4D_tI14_107_a_a_2ab_a:Cr-La-O-Sr +mp-1221390,Na2LaCeTi4O12,-8.641515719000001,-3.4186967466,0.0060843416,0.0060843416,GGA,C2,ABC2D12E4_mC40_5_a_b_c_ab5c_2c:Ce-La-Na-O-Ti,20.0,"Invalid WP multiplicities - ABC2D12E4_mC40_5_a_b_c_ab8c_4c:Ce-La-Na-O-Ti, expected Na2LaCeTi8O18 to be Na2LaCeTi4O12" +mp-1523025,NaCeTi4O12,-8.4563953456,-3.0009593983,0.1729363018,0.1729363018,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ce-Na-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ce-Na-O-Ti, expected NaCeTi4O18 to be NaCeTi4O12" +mp-6514,NaLaTiO4,-8.2242668457,-3.3755840943,0.0090452003,0.0090452003,GGA,P4/nmm,ABC4D_tP14_129_c_c_2cf_c:La-Na-O-Ti,14.0,ABC4D_tP14_129_c_c_2cf_c:La-Na-O-Ti +mp-1519680,NaLaTi4O12,-8.3252904239,-2.9252479239,0.1664873577,0.1664873577,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:La-Na-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:La-Na-O-Ti, expected NaLaTi4O18 to be NaLaTi4O12" +mp-6144,Na2La2Ti3O10,-8.4551970141,-3.4157600753,0.012504804,0.012504804,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:La-Na-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_2c2eg_ae:La-Na-O-Ti, expected Na2La2Ti3O12 to be Na2La2Ti3O10" +mp-1520517,NaPrZr4O12,-8.5709804956,-3.0346194898,0.2047687908,0.2047687908,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Na-O-Pr-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Na-O-Pr-Zr, expected NaPrZr4O18 to be NaPrZr4O12" +mp-1215954,Zr10Al6O,-7.3550384982,-0.7140296752,0.0178363289,0.0178363289,GGA,P3m1,A6BC10_hP51_156_6d_abc_6d2e:Al-O-Zr,51.0,A6BC10_hP51_156_6d_abc_6d2e:Al-O-Zr +mp-1215691,Zr10Al6O,-7.3444134018,-0.7034045787000001,0.0284614254,0.0284614254,GGA,P-31m,A6BC10_hP17_162_k_a_cdk:Al-O-Zr,17.0,A6BC10_hP17_162_k_a_cdk:Al-O-Zr +mp-559916,Na17Al5O16,-5.4425733392,-2.2752620624,0.0005219429,0.0005219429,GGA,Cm,A5B17C16_mC76_8_a2b_a8b_2a7b:Al-Na-O,38.0,"Invalid WP multiplicities - A5B17C16_mC76_8_a2b_a15b_2a14b:Al-Na-O, expected Na31Al5O30 to be Na17Al5O16" +mp-676014,NaAl11O17,-7.7242448445,-3.3581218267,0.0036900359,0.0012328977,GGA,Cm,A11BC17_mC116_8_14a4b_2a_18a8b:Al-Na-O,58.0,"Invalid WP multiplicities - A11BC17_mC116_8_14a6b_2a_18a13b:Al-Na-O, expected NaAl13O22 to be NaAl11O17" +mp-759230,NaAl11O17,-7.7242161879,-3.3580931702,0.0037186924,0.0012615542,GGA,R3m,A11BC17_hR87_160_5a2b_a_5a4b:Al-Na-O,29.0,"Invalid WP multiplicities - A11BC17_hR87_160_5a3b_a_5a12b:Al-Na-O, expected NaAl14O41 to be NaAl11O17" +mp-3405,NaAl11O17,-7.7279348803,-3.3618118626,0.0,-0.0024571382,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_c_def2k:Al-Na-O,58.0,A11BC17_hP58_194_a2fk_c_def2k:Al-Na-O +mp-860798,NaAl11O17,-7.7197194347,-3.3535964169,0.0082154457,0.0057583075,GGA,P6_3/mmc,A11BC17_hP58_194_a2fk_b_cef2k:Al-Na-O,58.0,"Invalid WP multiplicities - A11BC17_hP58_194_a6f3k_b_2ce3f10k:Al-Na-O, expected NaAl31O70 to be NaAl11O17" +mp-1210303,Na3Al4O8,-6.41833452,-2.5167752606,0.4202424561,0.4202424561,GGA,Im-3m,A4B3C8_cI60_229_f_d_ch:Al-Na-O,30.0,A4B3C8_cI60_229_f_d_ch:Al-Na-O +mp-13998,Na5AlO4,-5.0960134539,-2.0815177397,0.0,-0.0053571831,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Al-Na-O,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_7c_7c:Al-Na-O, expected Na7AlO7 to be Na5AlO4" +mp-9212,NaAlO2,-6.6749764869,-2.9346068504,0.0,-0.1106443961,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Na-O,16.0,ABC2_oP16_33_a_a_2a:Al-Na-O +mp-7748,NaAlO2,-6.6099463825,-2.869576746,0.0650301044,-0.0456142917,GGA,R-3m,ABC2_hR12_166_a_b_c:Al-Na-O,4.0,ABC2_hR12_166_a_b_c:Al-Na-O +mp-1186097,NaAlO3,-6.112593596,-2.1309601446,0.2167253357,0.2167253357,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Na-O,5.0,ABC3_cP5_221_b_a_c:Al-Na-O +mp-972066,ZrAlO3,-8.373685418,-2.9470168992,0.5159898236,0.5159898236,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Al-O-Zr,5.0,AB3C_cP5_221_b_c_a:Al-O-Zr +mp-31008,Na14Al4O13,-5.4161417732,-2.2611543321,0.0,-0.0015168119,GGA,P2_1/c,A4B14C13_mP62_14_2e_7e_a6e:Al-Na-O,62.0,"Invalid WP multiplicities - A4B14C13_mP62_14_2e_12e_a6e:Al-Na-O, expected Na24Al4O13 to be Na14Al4O13" +mp-556168,Na7Al3O8,-5.8144547375,-2.4773483912,0.0,-0.006699856,GGA,P-1,A3B7C8_aP36_2_3i_7i_8i:Al-Na-O,36.0,"Invalid WP multiplicities - A3B7C8_aP36_2_3i_13i_16i:Al-Na-O, expected Na13Al3O16 to be Na7Al3O8" +mp-1410367,Na7Al3O8,-4.3234976278,-0.9863912814,1.4909571097,1.4842572538,GGA,P-1,A3B7C8_aP36_2_3i_7i_8i:Al-Na-O,36.0,"Invalid WP multiplicities - A3B7C8_aP36_2_3i_13i_16i:Al-Na-O, expected Na13Al3O16 to be Na7Al3O8" +mp-1520589,NaPrZr2O6,-8.635589724999999,-3.3476932674,0.1945260672,0.1945260672,GGA,Fm-3m,AB6CD2_cF40_225_a_d_b_c:Na-O-Pr-Zr,10.0,AB6CD2_cF40_225_a_d_b_c:Na-O-Pr-Zr +mp-1247692,Sr3Ca5Mn8O22,-7.682967046,-2.4929735264,0.0805640553,0.0805640553,GGA+U,P1,A5B8C22D3_aP152_1_20a_32a_88a_12a:Ca-Mn-O-Sr,152.0,A5B8C22D3_aP152_1_20a_32a_88a_12a:Ca-Mn-O-Sr +mp-1247670,Sr3Ca5Mn8O22,-7.6625785287,-2.4725850091,0.1009525726,0.1009525726,GGA+U,P2/m,A5B8C22D3_mP38_10_abcdf_2o_2mn4o_egh:Ca-Mn-O-Sr,38.0,"Invalid WP multiplicities - A5B8C22D3_mP38_10_abcgh_3o_4m2n6o_def:Ca-Mn-O-Sr, expected Sr3Ca5Mn12O36 to be Sr3Ca5Mn8O22" +mp-1097486,SrLi2Ca,-0.6686791025000001,1.2095556642,1.2183031183,1.2183031183,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Li-Sr,4.0,AB2C_oI8_71_a_e_b:Ca-Li-Sr +mp-1521761,Sr2CaMnO6,-6.887548047,-2.4648746124,0.1118690113,0.1118690113,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ca-Mn-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ca-Mn-O-Sr +mp-1076184,SrCa3Mn4O10,-7.7663011947,-2.5540100072,0.0686313774,0.0686313774,GGA+U,P1,A3B4C10D_aP144_1_24a_32a_80a_8a:Ca-Mn-O-Sr,144.0,A3B4C10D_aP144_1_24a_32a_80a_8a:Ca-Mn-O-Sr +mp-1247594,SrCa3Mn4O10,-7.7091523372,-2.4968611498,0.1257802348,0.1257802348,GGA+U,P1,A3B4C10D_aP36_1_6a_8a_20a_2a:Ca-Mn-O-Sr,36.0,A3B4C10D_aP36_1_6a_8a_20a_2a:Ca-Mn-O-Sr +mp-1247699,SrCa3Mn4O10,-7.7333029692,-2.5210117817,0.1016296028,0.1016296028,GGA+U,P1,A3B4C10D_aP72_1_12a_16a_40a_4a:Ca-Mn-O-Sr,72.0,A3B4C10D_aP72_1_12a_16a_40a_4a:Ca-Mn-O-Sr +mp-1218332,SrCaMnO4,-7.3734222621,-2.7100131949,0.0254896068,0.0254896068,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Ca-Mn-O-Sr,14.0,ABC4D_tI14_107_a_a_2ab_a:Ca-Mn-O-Sr +mp-1218411,Sr3CaMn2O8,-7.3431730514,-2.7023430147000003,0.0227188309,0.0227188309,GGA+U,P4mm,AB2C8D3_tP14_99_a_ab_2a2b2c_a2b:Ca-Mn-O-Sr,28.0,AB2C8D3_tP14_99_a_ab_2a2b2c_a2b:Ca-Mn-O-Sr +mp-1247665,Sr3Ca5Mn8O20,-7.7095537643,-2.5060433109,0.1082681941,0.1082681941,GGA+U,P1,A5B8C20D3_aP144_1_20a_32a_80a_12a:Ca-Mn-O-Sr,144.0,A5B8C20D3_aP144_1_20a_32a_80a_12a:Ca-Mn-O-Sr +mp-1247685,Sr3Ca5Mn8O20,-7.675277065,-2.4717666116,0.1425448934,0.1425448934,GGA+U,P1,A5B8C20D3_aP36_1_5a_8a_20a_3a:Ca-Mn-O-Sr,36.0,A5B8C20D3_aP36_1_5a_8a_20a_3a:Ca-Mn-O-Sr +mp-1218618,Sr6CaMn4O13,-7.409170546,-2.6967715871,0.02930287,0.02930287,GGA+U,P2_1,AB4C13D6_mP48_4_a_4a_13a_6a:Ca-Mn-O-Sr,48.0,AB4C13D6_mP48_4_a_4a_13a_6a:Ca-Mn-O-Sr +mp-1277077,SrCaMn2O6,-7.6029554855,-2.433029867,0.0886291785,0.0886291785,GGA+U,Pmm2,AB2C6D_oP10_25_a_bd_ac2f_c:Ca-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB2C6D_oP10_25_a_2b2d_ac3f_c:Ca-Mn-O-Sr, expected SrCaMn4O8 to be SrCaMn2O6" +mp-1218393,SrCaMn2O6,-7.628624167,-2.4586985485,0.062960497,0.062960497,GGA+U,Pmc2_1,AB2C6D_oP20_26_a_c_ab2c_b:Ca-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_26_a_c_ab3c_b:Ca-Mn-O-Sr, expected SrCaMn2O8 to be SrCaMn2O6" +mp-1218366,SrCaMn2O6,-7.6304099215,-2.460484303,0.0611747425,0.0611747425,GGA+U,I-42m,AB2C6D_tI20_121_a_d_ci_b:Ca-Mn-O-Sr,20.0,AB2C6D_tI20_121_a_d_ci_b:Ca-Mn-O-Sr +mp-1076213,SrCaMn2O6,-7.6019578102,-2.4320321918,0.0896268537,0.0896268537,GGA+U,P4/mmm,AB2C6D_tP40_123_ade_r_jkst_bcf:Ca-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB2C6D_tP40_123_ad2e_r_2j2k5s5t_bc2f:Ca-Mn-O-Sr, expected Sr3Ca3Mn4O48 to be SrCaMn2O6" +mp-1218322,SrCaMn2O6,-7.6078352685,-2.43790965,0.0837493955,0.0837493955,GGA+U,P4/mmm,AB2C6D_tP10_123_a_e_fk_c:Ca-Mn-O-Sr,20.0,AB2C6D_oC20_65_a_f_ehj_b:Ca-Mn-O-Sr +mp-1268192,SrCa7Mn8O22,-7.7131958478,-2.5065651478,0.0746657701,0.0746657701,GGA+U,P1,A7B8C22D_aP152_1_28a_32a_88a_4a:Ca-Mn-O-Sr,152.0,A7B8C22D_aP152_1_28a_32a_88a_4a:Ca-Mn-O-Sr +mp-1247644,SrCa7Mn8O22,-7.6692898342,-2.4626591343,0.1185717836,0.1185717836,GGA+U,Cmmm,A7B8C22D_oC76_65_abcef_no_ghi2r_d:Ca-Mn-O-Sr,38.0,"Invalid WP multiplicities - A7B8C22D_oC76_65_abc2e2f_2no_2g2h2i6r_d:Ca-Mn-O-Sr, expected SrCa11Mn12O60 to be SrCa7Mn8O22" +mp-1247618,Sr2Ca6Mn8O23,-7.6786782957,-2.486818068,0.0657371895,0.0657371895,GGA+U,P1,A6B8C23D2_aP156_1_24a_32a_92a_8a:Ca-Mn-O-Sr,156.0,A6B8C23D2_aP156_1_24a_32a_92a_8a:Ca-Mn-O-Sr +mp-1247627,Sr2Ca6Mn8O23,-7.681895319,-2.4900350912,0.0625201663,0.0625201663,GGA+U,Pmm2,A6B8C23D2_oP39_25_g2h_2e2f_2ab2c2d2e2f2i_g:Ca-Mn-O-Sr,39.0,"Invalid WP multiplicities - A6B8C23D2_oP39_25_2g4h_2e2f_2ab2c2d2e2f4i_g:Ca-Mn-O-Sr, expected Sr2Ca12Mn8O31 to be Sr2Ca6Mn8O23" +mp-1247640,SrCa3Mn4O11,-7.7035595263,-2.5052474166,0.0721368333,0.0721368333,GGA+U,P1,A3B4C11D_aP76_1_12a_16a_44a_4a:Ca-Mn-O-Sr,76.0,A3B4C11D_aP76_1_12a_16a_44a_4a:Ca-Mn-O-Sr +mp-1247667,SrCa3Mn4O11,-7.66155706,-2.4632449502,0.1141392996,0.1141392996,GGA+U,Pmma,A3B4C11D_oP38_51_abc_2k_2ef2kl_d:Ca-Mn-O-Sr,38.0,"Invalid WP multiplicities - A3B4C11D_oP38_51_2a2b2c_3k_4e2f4kl_d:Ca-Mn-O-Sr, expected SrCa6Mn6O18 to be SrCa3Mn4O11" +mp-1247636,Sr3Ca5Mn8O24,-7.6369368381,-2.459108559,0.0662048212,0.0662048212,GGA+U,P-1,A5B8C24D3_aP160_2_10i_16i_48i_6i:Ca-Mn-O-Sr,160.0,"Invalid WP multiplicities - A5B8C24D3_aP160_2_20i_26i_96i_12i:Ca-Mn-O-Sr, expected Sr6Ca10Mn13O48 to be Sr3Ca5Mn8O24" +mp-1247664,Sr3Ca5Mn8O24,-7.607816624,-2.4299883448,0.0953250353,0.0953250353,GGA+U,P4/mmm,A5B8C24D3_tP40_123_abcf_r_jkst_de:Ca-Mn-O-Sr,40.0,"Invalid WP multiplicities - A5B8C24D3_tP40_123_abc2f_r_2j2k5s5t_de:Ca-Mn-O-Sr, expected Sr3Ca7Mn8O96 to be Sr3Ca5Mn8O24" +mp-1247621,SrCa3Mn4O12,-7.6657597111,-2.4800287713,0.0489389435,0.0489389435,GGA+U,P-1,A3B4C12D_aP80_2_6i_abcg6i_24i_2i:Ca-Mn-O-Sr,80.0,"Invalid WP multiplicities - A3B4C12D_aP80_2_12i_abcg9i_48i_2i:Ca-Mn-O-Sr, expected Sr2Ca12Mn11O48 to be SrCa3Mn4O12" +mp-1094044,SrCa3Mn4O12,-7.6657812695,-2.4800503297,0.0489173851,0.0489173851,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:Ca-Mn-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_3c_2a2b7c_a:Ca-Mn-O-Sr, expected SrCa3Mn6O18 to be SrCa3Mn4O12" +mp-1076020,SrCa3Mn4O12,-7.61135948,-2.4256285402,0.1033391746,0.1033391746,GGA+U,P4/mmm,A3B4C12D_tP20_123_be_j_kln_d:Ca-Mn-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_tP20_123_b2e_j_k2l3n_d:Ca-Mn-O-Sr, expected SrCa5Mn4O24 to be SrCa3Mn4O12" +mp-1094041,SrCa3Mn4O12,-7.6091910675,-2.4234601277,0.1055075871,0.1055075871,GGA+U,P4/mmm,A3B4C12D_tP20_123_ch_2g_abg2i_d:Ca-Mn-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_tP20_123_c2h_2g_ab2g4i_d:Ca-Mn-O-Sr, expected SrCa5Mn4O22 to be SrCa3Mn4O12" +mp-1247589,Sr2Ca6Mn8O21,-7.7135986695,-2.5084859274,0.0950694225,0.0950694225,GGA+U,P1,A6B8C21D2_aP148_1_24a_32a_84a_8a:Ca-Mn-O-Sr,148.0,A6B8C21D2_aP148_1_24a_32a_84a_8a:Ca-Mn-O-Sr +mp-1247591,Sr2Ca6Mn8O21,-7.7108915357,-2.5057787935,0.0977765563,0.0977765563,GGA+U,P1,A6B8C21D2_aP37_1_6a_8a_21a_2a:Ca-Mn-O-Sr,37.0,A6B8C21D2_aP37_1_6a_8a_21a_2a:Ca-Mn-O-Sr +mp-1247632,SrCa7Mn8O23,-7.6915598505,-2.4915943298,0.0647089633,0.0647089633,GGA+U,P1,A7B8C23D_aP156_1_28a_32a_92a_4a:Ca-Mn-O-Sr,156.0,A7B8C23D_aP156_1_28a_32a_92a_4a:Ca-Mn-O-Sr +mp-1247649,SrCa7Mn8O23,-7.6613655841,-2.4614000634,0.0949032297,0.0949032297,GGA+U,Amm2,A7B8C23D_oC78_38_a2bde_2cf_a2bde4f_a:Ca-Mn-O-Sr,39.0,"Invalid WP multiplicities - A7B8C23D_oC78_38_a2b2d2e_2cf_a2b2d2e8f_a:Ca-Mn-O-Sr, expected SrCa11Mn8O43 to be SrCa7Mn8O23" +mp-1247682,SrCa7Mn8O20,-7.7432490008,-2.5221770792,0.1087941848,0.1087941848,GGA+U,P1,A7B8C20D_aP144_1_28a_32a_80a_4a:Ca-Mn-O-Sr,144.0,A7B8C20D_aP144_1_28a_32a_80a_4a:Ca-Mn-O-Sr +mp-1247616,SrCa7Mn8O20,-7.6894720681,-2.4684001465,0.1625711175,0.1625711175,GGA+U,Cm,A7B8C20D_mC72_8_3a2b_4a2b_2a9b_a:Ca-Mn-O-Sr,36.0,"Invalid WP multiplicities - A7B8C20D_mC72_8_3a4b_4a4b_2a18b_a:Ca-Mn-O-Sr, expected SrCa11Mn12O38 to be SrCa7Mn8O20" +mp-1247590,SrCa7Mn8O21,-7.7279721943,-2.5143160352,0.0931899467,0.0931899467,GGA+U,P1,A7B8C21D_aP148_1_28a_32a_84a_4a:Ca-Mn-O-Sr,148.0,A7B8C21D_aP148_1_28a_32a_84a_4a:Ca-Mn-O-Sr +mp-1247723,SrCa7Mn8O21,-7.7286149465,-2.5149587874,0.0925471945,0.0925471945,GGA+U,P1,A7B8C21D_aP37_1_7a_8a_21a_a:Ca-Mn-O-Sr,37.0,A7B8C21D_aP37_1_7a_8a_21a_a:Ca-Mn-O-Sr +mp-1247638,SrCa7Mn8O24,-7.6718771022,-2.4782435017,0.0543785478,0.0543785478,GGA+U,P-1,A7B8C24D_aP160_2_14i_16i_48i_2i:Ca-Mn-O-Sr,160.0,"Invalid WP multiplicities - A7B8C24D_aP160_2_28i_26i_96i_2i:Ca-Mn-O-Sr, expected SrCa14Mn13O48 to be SrCa7Mn8O24" +mp-1247690,SrCa7Mn8O24,-7.6157375128,-2.4221039123,0.1105181372,0.1105181372,GGA+U,Pm-3m,A7B8C24D_cP40_221_acd_g_ij_b:Ca-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7B8C24D_cP40_221_a2c2d_g_7i7j_b:Ca-Mn-O-Sr, expected SrCa13Mn8O168 to be SrCa7Mn8O24" +mp-1076496,SrCaMn2O5,-7.7450772306,-2.5503475113,0.0556341143,0.0556341143,GGA+U,P1,AB2C5D_aP144_1_16a_32a_80a_16a:Ca-Mn-O-Sr,144.0,AB2C5D_aP144_1_16a_32a_80a_16a:Ca-Mn-O-Sr +mp-1247599,Sr3Ca5Mn8O21,-7.6977546877,-2.5011853625,0.0984193553,0.0984193553,GGA+U,P1,A5B8C21D3_aP148_1_20a_32a_84a_12a:Ca-Mn-O-Sr,148.0,A5B8C21D3_aP148_1_20a_32a_84a_12a:Ca-Mn-O-Sr +mp-1247709,Sr3Ca5Mn8O21,-7.6990621224,-2.5024927972,0.0971119205,0.0971119205,GGA+U,P1,A5B8C21D3_aP37_1_5a_8a_21a_3a:Ca-Mn-O-Sr,37.0,A5B8C21D3_aP37_1_5a_8a_21a_3a:Ca-Mn-O-Sr +mp-1247676,Sr3Ca5Mn8O23,-7.6635046233,-2.4797496885,0.0690575334,0.0690575334,GGA+U,P1,A5B8C23D3_aP156_1_20a_32a_92a_12a:Ca-Mn-O-Sr,156.0,A5B8C23D3_aP156_1_20a_32a_92a_12a:Ca-Mn-O-Sr +mp-1247625,Sr3Ca5Mn8O23,-7.6770313613,-2.4932764265,0.0555307954,0.0555307954,GGA+U,Pm,A5B8C23D3_mP39_6_2a3b_4c_3a4b8c_2ab:Ca-Mn-O-Sr,39.0,A5B8C23D3_mP39_6_2a3b_4c_3a4b8c_2ab:Ca-Mn-O-Sr +mp-1218408,SrCa3Mn2O8,-7.4073504707,-2.721362373,0.024581385,0.024581385,GGA+U,P4mm,A3B2C8D_tP14_99_a2b_ab_2a2b2c_a:Ca-Mn-O-Sr,28.0,"Invalid WP multiplicities - A3B2C8D_tP14_99_a2b_2a2b_2a2b2c_a:Ca-Mn-O-Sr, expected SrCa3Mn4O8 to be SrCa3Mn2O8" +mp-645690,Eu(DySe2)2,-6.9809583657,-2.2017838813,0.0,-0.0200172743,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Dy-Eu-Se,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_6c_c_12c:Dy-Eu-Se, expected Eu(DySe2)6 to be Eu(DySe2)2" +mp-1222309,LiDySe2,-5.2219147625,-1.845031597,0.083562335,0.0259963625,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Dy-Li-Se,4.0,ABC2_tP4_123_a_d_bc:Dy-Li-Se +mp-35717,LiDySe2,-5.2895110612,-1.9126278958,0.0159660363,-0.0415999363,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Dy-Li-Se,8.0,ABC2_tI16_141_a_b_e:Dy-Li-Se +mp-15795,LiDySe2,-5.3054770975,-1.928593932,0.0,-0.0575659725,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Li-Se,4.0,ABC2_hR12_166_a_b_c:Dy-Li-Se +mp-6793,BaLa2ZnO5,-7.3892788222,-3.1910370093,0.0132711125,0.0132711125,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-La-O-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-La-O-Zn +mp-581206,Ba5Eu8Zn4O21,-8.0782882711,-2.8001217848,0.0237158589,0.0237158589,GGA,I4/m,A5B8C21D4_tI76_87_ah_2h_bh2i_h:Ba-Eu-O-Zn,38.0,"Invalid WP multiplicities - A5B8C21D4_tI76_87_a2h_4h_b3h12i_h:Ba-Eu-O-Zn, expected Ba9Eu16Zn4O109 to be Ba5Eu8Zn4O21" +mp-510479,BaEu2ZnO5,-8.1674202258,-2.7867351474,0.0343863081,0.0343863081,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Eu-O-Zn,36.0,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Eu-O-Zn +mp-1227966,BaLaEuZnO5,-7.7661338233,-2.9766703776,0.036044411,0.036044411,GGA,Fmmm,ABCD5E_oF72_69_f_g_h_emn_i:Ba-Eu-La-O-Zn,18.0,"Invalid WP multiplicities - ABCD5E_oF72_69_f_g_h_e2m2n_i:Ba-Eu-La-O-Zn, expected BaLaEuZnO9 to be BaLaEuZnO5" +mp-975616,LaEuZn2,-4.7235618125,-0.2954377813,0.0,-0.000905965,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-La-Zn,4.0,ABC2_cF16_225_a_b_c:Eu-La-Zn +mp-862729,Sr(DySe2)2,-5.7725438432,-2.2172991226,0.0,-0.0299474475,GGA,Pnma,A2B4C_oP28_62_2c_4c_c:Dy-Se-Sr,28.0,A2B4C_oP28_62_2c_4c_c:Dy-Se-Sr +mp-1521091,NaSrDySeO6,-6.521974022,-2.4424890888,0.1281964,0.1281964,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Dy-Na-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Dy-Na-O-Se-Sr +mp-1517072,Sr2DySeO6,-6.7790360960000005,-2.6628543468,0.1801594538,0.1801594538,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Dy-O-Se-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Dy-O-Se-Sr +mp-999488,NaDySe2,-5.1667338425,-1.9364500703,0.0,-0.1398794688,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Na-Se,4.0,ABC2_hR12_166_a_b_c:Dy-Na-Se +mp-1202647,La2SbS5Br,-5.7749348922,-1.7486801017,0.0,-0.0060256514,GGA,Pnma,AB2C5D_oP36_62_c_2c_3cd_c:Br-La-S-Sb,36.0,AB2C5D_oP36_62_c_2c_3cd_c:Br-La-S-Sb +mp-680417,CeSb(SBr)2,-5.1431328325,-1.5696250344,0.0201975855,0.0201975855,GGA,P2_1/c,A2BC2D_mP48_14_4e_2e_4e_2e:Br-Ce-S-Sb,48.0,"Invalid WP multiplicities - A2BC2D_mP48_14_12e_4e_13e_4e:Br-Ce-S-Sb, expected Ce4Sb4S13Br12 to be CeSb(SBr)2" +mp-570305,La7Sb11Br4,-5.3184582877,-1.4010411652,0.0,-0.003550997,GGA,Pnma,A4B7C11_oP88_62_4c_7c_11c:Br-La-Sb,88.0,"Invalid WP multiplicities - A4B7C11_oP88_62_14c_25c_36c:Br-La-Sb, expected La25(Sb18Br7)2 to be La7Sb11Br4" +mp-29684,La5Sb3Br,-5.6623329722,-1.3712143528,0.0,-0.0452294179,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Br-La-Sb,18.0,AB5C3_hP18_193_b_dg_g:Br-La-Sb +mp-1223434,LaCeSb2(SBr)4,-5.1229990962,-1.632581469,0.0106769809,0.0106769809,GGA,P2_1/c,A4BCD4E2_mP48_14_4e_e_e_4e_2e:Br-Ce-La-S-Sb,48.0,A4BCD4E2_mP48_14_4e_e_e_4e_2e:Br-Ce-La-S-Sb +mp-680334,LaSb(SBr)2,-5.0992085471,-1.6918810906,0.0,-0.0049041447,GGA,P2_1/c,A2BC2D_mP48_14_4e_2e_4e_2e:Br-La-S-Sb,48.0,"Invalid WP multiplicities - A2BC2D_mP48_14_13e_5e_12e_7e:Br-La-S-Sb, expected La5Sb7S12Br13 to be LaSb(SBr)2" +mp-567777,La9Sb16Br3,-5.3556141987,-1.2432153139,0.0,-0.0141702237,GGA,P6_3/m,A3B9C16_hP56_176_h_3h_c5h:Br-La-Sb,56.0,"Invalid WP multiplicities - A3B9C16_hP56_176_h_12h_2c27h:Br-La-Sb, expected La36Sb83Br3 to be La9Sb16Br3" +mp-1223297,LaCeSbS5Br,-5.8200879608000005,-1.6830462759,0.0354076324,0.0354076324,GGA,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:Br-Ce-La-S-Sb,36.0,ABCD5E_oP36_19_a_a_a_5a_a:Br-Ce-La-S-Sb +mp-629511,Ce2SbS5Br,-5.9360562942,-1.6882277148,0.0,-0.0444047039,GGA,Pnma,AB2C5D_oP36_62_c_2c_3cd_c:Br-Ce-S-Sb,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_8c5d_c:Br-Ce-S-Sb, expected Ce4SbS18Br to be Ce2SbS5Br" +mp-1214717,Ba3Sr2Re3ClO15,-7.9004015077,-2.7954698156,0.0,-0.0072921444,GGA,P6_3cm,A3BC15D3E2_hP48_185_c_a_c2d_c_b:Ba-Cl-O-Re-Sr,48.0,A3BC15D3E2_hP48_185_c_a_c2d_c_b:Ba-Cl-O-Re-Sr +mp-667283,Sr5Re3ClO15,-7.8522451026,-2.7759985963,0.0,-0.0892065661,GGA,Pnma,AB15C3D5_oP96_62_c_c7d_cd_c2d:Cl-O-Re-Sr,96.0,"Invalid WP multiplicities - AB15C3D5_oP96_62_c_4c50d_3c3d_2c12d:Cl-O-Re-Sr, expected Sr26Re9ClO104 to be Sr5Re3ClO15" +mp-556647,Ba5Re3ClO15,-7.9164475506,-2.7923924013,0.0,-0.1108049623,GGA,P6_3cm,A5BC15D3_hP48_185_bc_a_c2d_c:Ba-Cl-O-Re,48.0,"Invalid WP multiplicities - A5BC15D3_hP48_185_2b2c_a_5c9d_c:Ba-Cl-O-Re, expected Ba10Re3ClO69 to be Ba5Re3ClO15" +mp-1228531,Ba4SrRe3ClO15,-7.9067307835,-2.7922373628,0.0016937456,0.0016937456,GGA,P31m,A4BC15D3E_hP48_157_b2c_2a_2c4d_2c_b:Ba-Cl-O-Re-Sr,48.0,A4BC15D3E_hP48_157_b2c_2a_2c4d_2c_b:Ba-Cl-O-Re-Sr +mp-29566,CsNaGe2,-3.0592558353,-0.1932599914,0.0,-0.0100584698,GGA,P2_1/c,AB2C_mP32_14_2e_4e_2e:Cs-Ge-Na,32.0,"Invalid WP multiplicities - AB2C_mP32_14_2e_8e_4e:Cs-Ge-Na, expected Cs(NaGe2)2 to be CsNaGe2" +mp-1195224,Na2Li18Ge17,-3.4037092671,-0.2794623557,0.0018591849,0.0018591849,GGA,P31m,A17B18C2_hP111_157_ab4c6d_8c5d_abc:Ge-Li-Na,111.0,A17B18C2_hP111_157_ab4c6d_8c5d_abc:Ge-Li-Na +mp-6663,NaLiGe4O9,-6.5899856882,-2.1737351561,0.0,-0.00077863,GGA,Pca2_1,A4BCD9_oP60_29_4a_a_a_9a:Ge-Li-Na-O,60.0,"Invalid WP multiplicities - A4BCD9_oP60_29_4a_a_a_13a:Ge-Li-Na-O, expected NaLiGe4O13 to be NaLiGe4O9" +mp-8313,Cs2Li2GeO4,-5.4410849439,-2.1057034797,0.0,-0.0234826826,GGA,P-1,A2BC2D4_aP18_2_2i_i_2i_4i:Cs-Ge-Li-O,18.0,A2BC2D4_aP18_2_2i_i_2i_4i:Cs-Ge-Li-O +mp-17125,CsNa3Li12(GeO4)4,-5.7095252158,-2.2259367866,0.000568081,0.000568081,GGA,I4/m,AB4C12D3E16_tI72_87_a_h_hi_bd_2hi:Cs-Ge-Li-Na-O,36.0,"Invalid WP multiplicities - AB4C12D3E16_tI72_87_a_h_hi_bd_5hi:Cs-Ge-Li-Na-O, expected CsNa3Li12(GeO7)4 to be CsNa3Li12(GeO4)4" +mp-640321,CsNa2Ge17,-4.1859335752,-0.0793372506,0.0,-0.0252171301,GGA,Fd-3m,AB17C2_cF160_227_b_aeg_c:Cs-Ge-Na,40.0,AB17C2_cF160_227_b_aeg_c:Cs-Ge-Na +mp-561254,NaLi3GeO4,-5.7301001011,-2.2346471463,0.0,-0.0062744532,GGA,I4_1/a,AB3CD4_tI144_88_f_3f_f_4f:Ge-Li-Na-O,72.0,"Invalid WP multiplicities - AB3CD4_tI144_88_f_22f_f_27f:Ge-Li-Na-O, expected NaLi22GeO27 to be NaLi3GeO4" +mp-774513,Li4Ti4Co5O18,-7.472508241,-2.1886487148,0.1875228517,0.1875228517,GGA+U,Pbam,A5B4C18D4_oP62_55_agh_2g_4g5h_gh:Co-Li-O-Ti,62.0,"Invalid WP multiplicities - A5B4C18D4_oP62_55_2a4g2h_5g_12g20h_3g2h:Co-Li-O-Ti, expected Li5Ti5Co7O32 to be Li4Ti4Co5O18" +mp-1177884,Li2Ti3MnO8,-8.5014756882,-3.0557723478,0.0352947525,0.0285018818,GGA+U,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Mn-O-Ti,56.0,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Mn-O-Ti +mp-756536,Li2Ti3MnO8,-8.4919633789,-3.0462600385,0.0448070618,0.0380141911,GGA+U,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Li-Mn-O-Ti,28.0,A2BC8D3_hR42_166_c_a_ch_d:Li-Mn-O-Ti +mp-777480,Li2Ti3MnO8,-8.5033354752,-3.0576321348,0.0334349655,0.0266420948,GGA+U,P6_3mc,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Mn-O-Ti,56.0,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Mn-O-Ti +mp-775865,Li2Ti3MnO8,-8.5367704407,-3.0910671003,0.0,-0.0067928707,GGA+U,P2_13,A2BC8D3_cP56_198_2a_a_2a2b_b:Li-Mn-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_198_5a_a_8a13b_b:Li-Mn-O-Ti, expected Li5Ti3MnO47 to be Li2Ti3MnO8" +mp-774582,Li2Ti3MnO8,-8.512764593,-3.0670612526,0.0240058477,0.017212977,GGA+U,P4_332,A2BC8D3_cP56_212_c_a_ce_d:Li-Mn-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_212_c_a_8c9e_d:Li-Mn-O-Ti, expected Li2Ti3MnO70 to be Li2Ti3MnO8" +mp-1640674,Li4Ti3(CoO4)3,-7.5221474057,-2.4309026131,0.1060005125,0.1060005125,GGA+U,P1,A3B4C12D3_aP44_1_6a_8a_24a_6a:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A3B4C12D3_aP22_1_6a_4a_12a_3a:Co-Li-O-Ti, expected Li4Ti3(CoO2)6 to be Li4Ti3(CoO4)3" +mp-780162,Li4Ti3(CoO4)3,-7.522081843,-2.4308370504,0.1060660752,0.1060660752,GGA+U,P-1,A3B4C12D3_aP44_2_ah2i_be3i_12i_3i:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A3B4C12D3_aP44_2_ah2i_be4i_19i_5i:Co-Li-O-Ti, expected Li5Ti5Co3O19 to be Li4Ti3(CoO4)3" +mp-1644256,Li4Ti3(CoO4)3,-7.5218992507,-2.4306544581,0.1062486675,0.1062486675,GGA+U,P-1,A3B4C12D3_aP44_2_ah2i_be3i_12i_3i:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A3B4C12D3_aP44_2_ah2i_be4i_19i_5i:Co-Li-O-Ti, expected Li5Ti5Co3O19 to be Li4Ti3(CoO4)3" +mp-1642451,Li4Ti3(CoO4)3,-7.5232506011,-2.4320058086,0.104897317,0.104897317,GGA+U,P-1,A3B4C12D3_aP44_2_ag2i_bc3i_12i_3i:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A3B4C12D3_aP44_2_bc2i_ac5i_20i_4i:Co-Li-O-Ti, expected Li6Ti4Co3O20 to be Li4Ti3(CoO4)3" +mp-1302395,Li2Ti2Mn3O10,-8.2198271506,-2.5397234591,0.0627206576,0.0627206576,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Li-Mn-O-Ti,34.0,"Invalid WP multiplicities - A2B3C10D2_aP17_1_2a_6a_10a_2a:Li-Mn-O-Ti, expected LiTiMn3O5 to be Li2Ti2Mn3O10" +mp-752542,Li2Ti2Mn3O10,-8.2084201,-2.5283164085000003,0.0741277082,0.0741277082,GGA+U,P-1,A2B3C10D2_aP17_2_i_ai_5i_i:Li-Mn-O-Ti,17.0,"Invalid WP multiplicities - A2B3C10D2_aP17_2_i_ai_9i_i:Li-Mn-O-Ti, expected Li2Ti2Mn3O18 to be Li2Ti2Mn3O10" +mp-1273561,Li2Ti2Mn3O10,-8.2260644618,-2.5459607703,0.0564833465,0.0564833465,GGA+U,P-1,A2B3C10D2_aP34_2_2i_3i_10i_2i:Li-Mn-O-Ti,34.0,A2B3C10D2_aP34_2_4i_6i_20i_4i:Li-Mn-O-Ti +mp-769508,Li4Ti2Mn7O18,-7.9851431152,-2.2883308782,0.073127739,0.073127739,GGA+U,Pbam,A4B7C18D2_oP62_55_2g_ag2h_4g5h_g:Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B7C18D2_oP62_55_5g_2a4g6h_12g20h_g:Li-Mn-O-Ti, expected Li5TiMn11O32 to be Li4Ti2Mn7O18" +mp-772982,Li3Ti6Co3O16,-8.3529810634,-2.8682777254,0.0293712745,0.0293712745,GGA+U,P2_1,A3B3C16D6_mP56_4_3a_3a_16a_6a:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B3C16D6_mP56_4_5a_5a_32a_12a:Co-Li-O-Ti, expected Li5Ti12Co5O32 to be Li3Ti6Co3O16" +mp-1309814,LiTiCoO4,-7.6797859129,-2.437001981,0.0655324971,0.0655324971,GGA+U,C2/m,ABC4D_mC28_12_ac_i_2ij_e:Co-Li-O-Ti,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_ad_i_3ij_e:Co-Li-O-Ti, expected LiTiCoO5 to be LiTiCoO4" +mp-1313679,LiTiCoO4,-7.6777615668,-2.4349776349,0.0675568432,0.0675568432,GGA+U,C2/c,ABC4D_mC28_15_a_e_2f_c:Co-Li-O-Ti,28.0,ABC4D_mC28_15_c_e_2f_a:Co-Li-O-Ti +mp-1176576,LiTiCoO4,-7.686320012899999,-2.443536081,0.0589983971,0.0589983971,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Li-O-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2hi_c:Co-Li-O-Ti, expected LiTiCoO6 to be LiTiCoO4" +mp-753505,LiTiCoO4,-7.6674335118,-2.4246495799,0.0778848982,0.0778848982,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Ti,28.0,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Ti +mp-775264,Li4Ti2Co3O10,-7.2798491342,-2.3209798712,0.0552835701,0.0552835701,GGA+U,P-1,A3B4C10D2_aP38_2_bd2i_4i_10i_2i:Co-Li-O-Ti,38.0,"Invalid WP multiplicities - A3B4C10D2_aP38_2_bd2i_6i_16i_2i:Co-Li-O-Ti, expected Li6Ti2Co3O16 to be Li4Ti2Co3O10" +mp-863690,Ti2MnCo,-8.4005486425,-0.3852193624,0.0,-0.0655564641,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-Mn-Ti,4.0,ABC2_cF16_225_a_b_c:Co-Mn-Ti +mp-774525,Li4Ti3Mn4(CoO9)2,-7.8619564261,-2.3384963914,0.0755319232,0.0755319232,GGA+U,Pmc2_1,A2B4C4D18E3_oP62_26_ab_4a_2a2b_8a10b_2ab:Co-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A2B4C4D18E3_oP62_26_2ab_6a_4a2b_14a20b_3ab:Co-Li-Mn-O-Ti, expected Li6Ti4Mn6Co3O34 to be Li4Ti3Mn4(CoO9)2" +mp-763447,Li5Ti2Co5O12,-7.1229127108,-2.1130188826,0.0987104192,0.0987104192,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Co-Li-O-Ti,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a3c_12c_ab:Co-Li-O-Ti, expected Li7Ti2Co5O24 to be Li5Ti2Co5O12" +mp-767679,Li8TiMn3O12,-6.8774019869,-2.2935192635,0.0876900317,0.0876900317,GGA+U,P2,A8B3C12D_mP24_3_2a2b2c2d_abc_6e_d:Li-Mn-O-Ti,48.0,"Invalid WP multiplicities - A8B3C12D_mP24_3_2a2b2c2d_2abc_6e_d:Li-Mn-O-Ti, expected Li8TiMn4O12 to be Li8TiMn3O12" +mp-865537,TiMnCo2,-8.1119545325,-0.2934188078,0.0,-0.0509105617,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mn-Ti,4.0,A2BC_cF16_225_c_a_b:Co-Mn-Ti +mp-771355,Li5Ti2Mn8O20,-7.9677101501,-2.3229817236,0.0184473061,0.0184473061,GGA+U,C2/m,A5B8C20D2_mC140_12_5i_ace2i2j_10i5j_2i:Li-Mn-O-Ti,70.0,"Invalid WP multiplicities - A5B8C20D2_mC140_12_8i_ace4i6j_20i9j_2i:Li-Mn-O-Ti, expected Li4TiMn9O19 to be Li5Ti2Mn8O20" +mp-757980,Li4Ti3Mn2Co3O16,-7.6968521271,-2.3354888819,0.0721475617,0.0721475617,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Co-Li-Mn-O-Ti, expected Li4Ti3Mn2Co3O20 to be Li4Ti3Mn2Co3O16" +mp-755233,Li3TiMn3O8,-7.7602780833,-2.3814903378,0.0622622057,0.0622622057,GGA+U,P-1,A3B3C8D_aP15_2_adg_cef_4i_b:Li-Mn-O-Ti,30.0,A3B3C8D_aP15_2_adg_cef_4i_b:Li-Mn-O-Ti +mp-759205,Li3TiMn3O8,-7.7667816584,-2.3879939129,0.0557586306,0.0557586306,GGA+U,P-1,A3B3C8D_aP45_2_bcd3i_efg3i_12i_ai:Li-Mn-O-Ti,45.0,"Invalid WP multiplicities - A3B3C8D_aP45_2_bcd6i_efg6i_23i_ai:Li-Mn-O-Ti, expected Li15Ti3Mn15O46 to be Li3TiMn3O8" +mp-765565,Li3TiMn3O8,-7.7564340823,-2.3776463368,0.0661062067,0.0661062067,GGA+U,Cc,A3B3C8D_mC60_9_3a_3a_8a_a:Li-Mn-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_mC60_9_5a_5a_14a_a:Li-Mn-O-Ti, expected Li5TiMn5O14 to be Li3TiMn3O8" +mp-1177858,Li2TiCoO4,-7.3464455063,-2.5203942075,0.0378028941,0.0378028941,GGA+U,P2/m,AB2C4D_mP8_10_b_dh_mn_c:Co-Li-O-Ti,16.0,AB2C4D_mP8_10_b_eg_mn_c:Co-Li-O-Ti +mp-1177850,Li2TiCoO4,-7.3436590009,-2.5176077022,0.0405893994,0.0405893994,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Co-Li-O-Ti,32.0,AB2C4D_oI32_74_a_bc_hi_d:Co-Li-O-Ti +mp-761572,Li2TiCoO4,-7.3263940556,-2.5003427569,0.0578543447,0.0578543447,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Co-Li-O-Ti,16.0,AB2C4D_tI16_119_a_bc_ef_d:Co-Li-O-Ti +mp-1177861,Li2TiCo3O8,-7.1094229371,-1.9228657354,0.0855897731,0.0855897731,GGA+U,P1,A3B2C8D_aP56_1_12a_8a_32a_4a:Co-Li-O-Ti,56.0,A3B2C8D_aP56_1_12a_8a_32a_4a:Co-Li-O-Ti +mp-1661621,Li2TiCo3O8,-7.1196610432,-1.9331038414,0.0753516671,0.0753516671,GGA+U,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Co-Li-O-Ti,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Co-Li-O-Ti +mp-762215,Li2TiCo3O8,-7.1031103743,-1.9165531725,0.091902336,0.091902336,GGA+U,C2,A3B2C8D_mC112_5_ab5c_4c_16c_abc:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B2C8D_mC112_5_ab10c_6c_32c_ab2c:Co-Li-O-Ti, expected Li6Ti3Co11O32 to be Li2TiCo3O8" +mp-773179,Li2TiCo3O8,-7.1589728407,-1.9724156389,0.0360398696,0.0360398696,GGA+U,Cc,A3B2C8D_mC56_9_3a_2a_8a_a:Co-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Co-Li-O-Ti, expected Li3Ti(CoO10)3 to be Li2TiCo3O8" +mp-757968,Li2TiCo3O8,-7.1669412825,-1.9803840807,0.0280714278,0.0280714278,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Co-Li-O-Ti, expected Li2TiCo3O70 to be Li2TiCo3O8" +mp-774904,Li4Ti(Co4O9)2,-6.8286431881,-1.6209618124,0.0858124405,0.0858124405,GGA+U,Pmc2_1,A8B4C18D_oP62_26_4a4b_4a_8a10b_a:Co-Li-O-Ti,62.0,"Invalid WP multiplicities - A8B4C18D_oP62_26_8a6b_6a_14a20b_a:Co-Li-O-Ti, expected Li6Ti(Co7O17)2 to be Li4Ti(Co4O9)2" +mp-777945,TiMn4O10,-8.3316161405,-2.064253454,0.0815863048,0.0815863048,GGA+U,C2/m,A4B10C_mC120_12_ace2i2j_10i5j_2i:Mn-O-Ti,60.0,"Invalid WP multiplicities - A4B10C_mC120_12_ade4i6j_20i9j_2i:Mn-O-Ti, expected TiMn9O19 to be TiMn4O10" +mp-1177251,Li4Ti5Co3O16,-7.9569589386,-2.6860616416000003,0.0577521536,0.0577521536,GGA+U,P1,A3B4C16D5_aP28_1_3a_4a_16a_5a:Co-Li-O-Ti,28.0,A3B4C16D5_aP28_1_3a_4a_16a_5a:Co-Li-O-Ti +mp-776297,Li4Ti5Co3O16,-7.9521446946,-2.6812473977,0.0625663975,0.0625663975,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Co-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Co-Li-O-Ti, expected Li4Ti7Co3O20 to be Li4Ti5Co3O16" +mp-782664,Ti3MnO8,-9.01962217,-2.9844554173,0.0940788044,0.0940788044,GGA+U,P6_3mc,AB8C3_hP24_186_b_ab2c_c:Mn-O-Ti,24.0,"Invalid WP multiplicities - AB8C3_hP24_186_b_a2b9c_c:Mn-O-Ti, expected Ti3MnO30 to be Ti3MnO8" +mp-756808,TiMn3O8,-8.4018991417,-2.1556451764,0.0749849881,0.0749849881,GGA+U,R-3m,A3B8C_hR36_166_d_ch_b:Mn-O-Ti,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2c2h_b:Mn-O-Ti, expected TiMn3O16 to be TiMn3O8" +mp-756589,TiMn3O8,-8.3829043042,-2.1366503389,0.0939798256,0.0939798256,GGA+U,R-3m,A3B8C_hR36_166_d_ch_a:Mn-O-Ti,24.0,A3B8C_hR36_166_d_ch_a:Mn-O-Ti +mp-755307,TiMn3O8,-8.4349304075,-2.1886764423,0.0419537223,0.0419537223,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Mn-O-Ti, expected TiMn3O30 to be TiMn3O8" +mp-774302,TiMn3O8,-8.3869892765,-2.1407353112,0.0898948533,0.0898948533,GGA+U,P4_332,A3B8C_cP48_212_d_ce_a:Mn-O-Ti,48.0,"Invalid WP multiplicities - A3B8C_cP48_212_d_8c9e_a:Mn-O-Ti, expected TiMn3O70 to be TiMn3O8" +mp-1645499,Li4TiCo5O12,-6.80932169,-1.7896381903,0.1257682784,0.1257682784,GGA+U,P1,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti +mp-1646154,Li4TiCo5O12,-6.8776939782,-1.8580104785,0.0573959902,0.0573959902,GGA+U,P1,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti +mp-1639499,Li4TiCo5O12,-6.9000311905,-1.8803476908,0.0350587779,0.0350587779,GGA+U,P1,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti +mp-1640620,Li4TiCo5O12,-6.8403933441,-1.8207098444,0.0946966243,0.0946966243,GGA+U,P-1,A5B4C12D_aP44_2_5i_4i_12i_ab:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_aP44_2_9i_7i_20i_ab:Co-Li-O-Ti, expected Li7TiCo9O20 to be Li4TiCo5O12" +mp-1647689,Li4TiCo5O12,-6.8377281648,-1.8180446651,0.0973618036,0.0973618036,GGA+U,C2,A5B4C12D_mC44_5_2a3b_2c_6c_a:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_mC44_5_2a6b_2c_8c_a:Co-Li-O-Ti, expected Li4Ti(CoO2)8 to be Li4TiCo5O12" +mp-1645697,Li4TiCo5O12,-6.874653028,-1.8549695283,0.0604369404,0.0604369404,GGA+U,C2,A5B4C12D_mC88_5_3a3b2c_4c_12c_c:Co-Li-O-Ti,44.0,A5B4C12D_aP44_1_10a_8a_24a_2a:Co-Li-O-Ti +mp-1667834,Li4TiCo5O12,-6.837269133,-1.8175856333,0.0978208354,0.0978208354,GGA+U,C2,A5B4C12D_mC88_5_2a2b3c_4c_12c_ab:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_5_2a2b4c_6c_22c_ab:Co-Li-O-Ti, expected Li6Ti(Co3O11)2 to be Li4TiCo5O12" +mp-770955,Li4TiCo5O12,-6.8734348764,-1.8537513767,0.061655092,0.061655092,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Co-Li-O-Ti,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Co-Li-O-Ti, expected Li4Ti(CoO4)7 to be Li4TiCo5O12" +mp-1641494,Li4TiCo5O12,-6.8876432182,-1.8679597185,0.0474467502,0.0474467502,GGA+U,C2/m,A5B4C12D_mC88_12_adghj_2j_4i4j_i:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_12_ac2ghj_7j_6i12j_i:Co-Li-O-Ti, expected Li14Ti(CoO5)6 to be Li4TiCo5O12" +mp-1645230,Li4TiCo5O12,-6.9005990516,-1.8809155519,0.0344909168,0.0344909168,GGA+U,C2/m,A5B4C12D_mC88_12_adghj_2j_4i4j_i:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_12_ac2ghj_7j_6i12j_i:Co-Li-O-Ti, expected Li14Ti(CoO5)6 to be Li4TiCo5O12" +mp-1643720,Li4TiCo5O12,-6.8773205761,-1.8576370764,0.0577693922,0.0577693922,GGA+U,C2/c,A5B4C12D_mC88_15_c2ef_2f_6f_e:Co-Li-O-Ti,44.0,"Invalid WP multiplicities - A5B4C12D_mC88_15_a3e2f_5f_14f_e:Co-Li-O-Ti, expected Li10Ti(Co2O7)4 to be Li4TiCo5O12" +mp-1978851,Li4TiCo5O12,-6.8866378089,-1.8669543092,0.0484521595,0.0484521595,GGA+U,C2/c,A5B4C12D_mC88_15_c2ef_2f_6f_e:Co-Li-O-Ti,44.0,A5B4C12D_mC44_12_agh_j_2i2j_d:Co-Li-O-Ti +mp-769509,Li4TiMn8O18,-7.8730236529,-2.1353558264,0.0722181429,0.0722181429,GGA+U,Pmc2_1,A4B8C18D_oP62_26_4a_4a4b_8a10b_a:Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B8C18D_oP62_26_6a_8a6b_14a20b_a:Li-Mn-O-Ti, expected Li6TiMn14O34 to be Li4TiMn8O18" +mp-771220,Li3Ti(CoO3)2,-6.9998520008,-2.206599628,0.0830553227,0.0830553227,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Co-Li-O-Ti,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Co-Li-O-Ti, expected Li3Ti(CoO5)2 to be Li3Ti(CoO3)2" +mp-752782,Li5Ti2Mn3O10,-7.710478502,-2.5960519342,0.0215746468,0.0215746468,GGA+U,P1,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Mn-O-Ti,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_2d2i_9i_i:Li-Mn-O-Ti, expected Li9Ti2Mn6O18 to be Li5Ti2Mn3O10" +mp-1370295,Li5Ti2Mn3O10,-5.972903448,-0.8584768802,1.7591497008,1.7591497008,GGA+U,P1,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Mn-O-Ti,20.0,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Mn-O-Ti +mp-1311067,Li5Ti2Mn3O10,-7.7130627402,-2.5986361725,0.0189904085,0.0189904085,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_di_5i_i:Li-Mn-O-Ti,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_2d2i_9i_i:Li-Mn-O-Ti, expected Li9Ti2Mn6O18 to be Li5Ti2Mn3O10" +mp-758979,Li2Ti2Mn5O12,-8.3673768062,-2.4255115318,0.0923142982,0.0923142982,GGA+U,P2_1,A2B5C12D2_mP42_4_2a_5a_12a_2a:Li-Mn-O-Ti,42.0,"Invalid WP multiplicities - A2B5C12D2_mP42_4_4a_10a_24a_3a:Li-Mn-O-Ti, expected Li4Ti3Mn10O24 to be Li2Ti2Mn5O12" +mp-754102,Li4TiMn3O8,-7.5048995559,-2.3429783653,0.1032280394,0.1032280394,GGA+U,P1,A4B3C8D_aP16_1_4a_3a_8a_a:Li-Mn-O-Ti,32.0,"Invalid WP multiplicities - A4B3C8D_aP16_1_4a_6a_8a_a:Li-Mn-O-Ti, expected Li4TiMn6O8 to be Li4TiMn3O8" +mp-760999,Li4TiMn3O8,-7.5599681892,-2.3980469986,0.0481594061,0.0481594061,GGA+U,P1,A4B3C8D_aP48_1_12a_9a_24a_3a:Li-Mn-O-Ti,48.0,A4B3C8D_aP48_1_12a_9a_24a_3a:Li-Mn-O-Ti +mp-754620,Li4TiMn5O12,-7.716807395,-2.2303744642,0.0940856143,0.0940856143,GGA+U,C2/m,A4B5C12D_mC44_12_j_agh_2i2j_d:Li-Mn-O-Ti,22.0,"Invalid WP multiplicities - A4B5C12D_mC44_12_j_a2gh_4i5j_c:Li-Mn-O-Ti, expected Li4TiMn7O28 to be Li4TiMn5O12" +mp-757180,Ti3Mn2Co3O16,-7.9768361367,-2.0400661617,0.1306534027,0.1306534027,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Co-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Co-Mn-O-Ti, expected Ti3Mn2Co3O20 to be Ti3Mn2Co3O16" +mp-775296,TiMnO4,-8.74214502,-2.601434661,0.0531475321,0.0531475321,GGA+U,I-4m2,AB4C_tI12_119_a_ef_c:Mn-O-Ti,12.0,AB4C_tI12_119_a_ef_c:Mn-O-Ti +mp-756331,Li4Ti3Co5O16,-7.3097757568,-2.0951051899,0.1603898033,0.1603898033,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Co-Li-O-Ti,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Co-Li-O-Ti, expected Li4Ti3(CoO4)5 to be Li4Ti3Co5O16" +mp-1177329,Li4Ti2Co7O18,-7.0571038868,-1.8240297943,0.1058768965,0.1058768965,GGA+U,Pm,A7B4C18D2_mP62_6_6a8b_8a_16a20b_4a:Co-Li-O-Ti,62.0,A7B4C18D2_mP62_6_6a8b_8a_16a20b_4a:Co-Li-O-Ti +mp-774947,Li4Ti2Co7O18,-7.0579055635,-1.824831471,0.1050752197,0.1050752197,GGA+U,Pbam,A7B4C18D2_oP62_55_ag2h_2g_4g5h_g:Co-Li-O-Ti,62.0,"Invalid WP multiplicities - A7B4C18D2_oP62_55_2a4g6h_5g_12g20h_g:Co-Li-O-Ti, expected Li5TiCo11O32 to be Li4Ti2Co7O18" +mp-772994,Li6Ti15Co3O32,-8.5782364884,-3.0513631028,0.0893101724,0.0893101724,GGA+U,R3m,A3B6C32D15_hR168_160_b_3ab_2a6b2c_3bc:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B6C32D15_hR168_160_b_3a2b_2a18b8c_8b4c:Co-Li-O-Ti, expected Li9Ti48Co3O104 to be Li6Ti15Co3O32" +mp-757214,Li3TiCo3O8,-6.9955093433,-2.0274610972,0.075092672,0.075092672,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Co-Li-O-Ti,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_c2h_a:Co-Li-O-Ti, expected Li3TiCo3O14 to be Li3TiCo3O8" +mp-761172,Li3TiCo3O8,-7.0052150207,-2.0371667746,0.0653869947,0.0653869947,GGA+U,P6_3mc,A3B3C8D_hP30_186_c_c_ab2c_b:Co-Li-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_hP30_186_c_c_2a2b10c_b:Co-Li-O-Ti, expected Li3TiCo3O34 to be Li3TiCo3O8" +mp-530557,TiMn2O4,-9.1915211653,-2.6191958159,0.0574538197,0.0574538197,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Mn-O-Ti,70.0,A2B4C_aP70_1_20a_40a_10a:Mn-O-Ti +mp-540763,TiMn2O4,-9.2487471207,-2.6764217713000003,0.0002278643,0.0002278643,GGA+U,P4_322,A2B4C_tP28_95_ac_2d_b:Mn-O-Ti,28.0,A2B4C_tP28_95_ac_2d_b:Mn-O-Ti +mp-775166,Li2TiMn3O8,-8.0208245132,-2.3941892763,0.0153886689,0.0153886689,GGA+U,P1,A2B3C8D_aP56_1_8a_12a_32a_4a:Li-Mn-O-Ti,56.0,A2B3C8D_aP56_1_8a_12a_32a_4a:Li-Mn-O-Ti +mp-758872,Li2TiMn3O8,-7.9629121055,-2.3362768686,0.0733010767,0.0733010767,GGA+U,P-1,A2B3C8D_aP42_2_ag2i_bce3i_12i_fi:Li-Mn-O-Ti,42.0,"Invalid WP multiplicities - A2B3C8D_aP42_2_ag4i_bce6i_24i_f2i:Li-Mn-O-Ti, expected Li10Ti5Mn15O48 to be Li2TiMn3O8" +mp-771575,Li2TiMn3O8,-8.0094132275,-2.3827779906,0.0267999546,0.0267999546,GGA+U,Cmc2_1,A2B3C8D_oC56_36_2a_ab_4a2b_a:Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A2B3C8D_oC56_36_3a_a2b_6a6b_a:Li-Mn-O-Ti, expected Li3TiMn5O18 to be Li2TiMn3O8" +mp-756866,Li2TiMn3O8,-7.9819285457,-2.3552933088,0.0542846364,0.0542846364,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-Ti,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_c2h_a:Li-Mn-O-Ti, expected Li2TiMn3O14 to be Li2TiMn3O8" +mp-771146,Li2TiMn3O8,-7.9303894429,-2.303754206,0.1058237393,0.1058237393,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Mn-O-Ti, expected Li3TiMn3O30 to be Li2TiMn3O8" +mp-1217173,Ti4Mn2O,-8.3395354339,-0.5034372393000001,0.5110423998,0.5110423998,GGA+U,F-43m,A2BC4_cF112_216_2e_e_efg:Mn-O-Ti,28.0,A2BC4_cF112_216_2e_e_efg:Mn-O-Ti +mp-1273456,Li3TiMn4O8,-7.9601892909,-2.3449498238,0.0560938391,0.0560938391,GGA+U,P-1,A3B4C8D_aP32_2_3i_abcefhi_8i_dg:Li-Mn-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_3i_abcefhi_13i_dg:Li-Mn-O-Ti, expected Li3TiMn4O13 to be Li3TiMn4O8" +mp-1292671,Li3TiMn4O8,-7.9615909797,-2.3463515125,0.0546921503,0.0546921503,GGA+U,P-1,A3B4C8D_aP32_2_ah2i_bdeg2i_8i_cf:Li-Mn-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_df2i_2abe2i_13i_cg:Li-Mn-O-Ti, expected Li3TiMn4O13 to be Li3TiMn4O8" +mp-1290530,Li3TiMn4O8,-7.9643856844,-2.3491462172,0.0518974456,0.0518974456,GGA+U,P-1,A3B4C8D_aP16_2_abc_defg_4i_h:Li-Mn-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_aP16_2_abc_defg_5i_h:Li-Mn-O-Ti, expected Li3TiMn4O10 to be Li3TiMn4O8" +mp-1307881,Li3TiMn4O8,-7.9631425287,-2.3479030616,0.0531406012,0.0531406012,GGA+U,P-1,A3B4C8D_aP32_2_ag2i_bcdefhi_8i_i:Li-Mn-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_2a2i_acd3ei_13i_i:Li-Mn-O-Ti, expected Li3TiMn4O13 to be Li3TiMn4O8" +mp-771024,Li3TiMn4O8,-7.9542317631,-2.3389922959,0.0620513669,0.0620513669,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Mn-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_a2e_bdf_3i2j_c:Li-Mn-O-Ti, expected Li5TiMn4O14 to be Li3TiMn4O8" +mp-775831,TiMn2O6,-8.4980414556,-2.2869686924,0.084978815,0.084978815,GGA+U,C2/m,A2B6C_mC18_12_i_3i_a:Mn-O-Ti,9.0,"Invalid WP multiplicities - A2B6C_mC18_12_i_5i_a:Mn-O-Ti, expected TiMn2O10 to be TiMn2O6" +mp-1101349,TiMn2O6,-8.4909150294,-2.2798422663,0.0921052411,0.0921052411,GGA+U,Cmce,A2B6C_oC36_64_d_fg_a:Mn-O-Ti,18.0,"Invalid WP multiplicities - A2B6C_oC36_64_d_2f3g_a:Mn-O-Ti, expected TiMn2O16 to be TiMn2O6" +mp-779764,Li10Ti2Mn3Co3O16,-6.9558354421,-2.1664756967,0.1234777386,0.1234777386,GGA+U,P1,A3B10C3D16E2_aP34_1_3a_10a_3a_16a_2a:Co-Li-Mn-O-Ti,34.0,A3B10C3D16E2_aP34_1_3a_10a_3a_16a_2a:Co-Li-Mn-O-Ti +mp-752796,Li4Ti2Mn3O10,-7.8809345784,-2.5977972895,0.0416258926,0.0416258926,GGA+U,P-1,A4B3C10D2_aP19_2_2i_ai_5i_i:Li-Mn-O-Ti,38.0,"Invalid WP multiplicities - A4B3C10D2_aP19_2_2i_2a2i_5i_i:Li-Mn-O-Ti, expected Li2TiMn3O5 to be Li4Ti2Mn3O10" +mp-759056,Li4Ti2Mn3O10,-7.8747952529,-2.591657964,0.0477652182,0.0477652182,GGA+U,P-1,A4B3C10D2_aP38_2_4i_ae2i_10i_2i:Li-Mn-O-Ti,38.0,"Invalid WP multiplicities - A4B3C10D2_aP38_2_6i_ae2i_18i_2i:Li-Mn-O-Ti, expected Li6Ti2Mn3O18 to be Li4Ti2Mn3O10" +mp-861729,Li4Ti2Mn3Co3O16,-7.5717326268,-2.1651364075,0.0705787135,0.0705787135,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Co-Li-Mn-O-Ti,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Co-Li-Mn-O-Ti +mp-754180,Li3Ti2CoO6,-7.5508654479,-2.6920152233,0.0962983932,0.0962983932,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Co-Li-O-Ti,24.0,AB3C6D2_mC24_12_a_di_3i_i:Co-Li-O-Ti +mp-769512,Li4Ti4Mn5O18,-8.2221076311,-2.6070065732,0.0622213398,0.0622213398,GGA+U,Pbam,A4B5C18D4_oP62_55_2g_agh_4g5h_gh:Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B5C18D4_oP62_55_5g_2a4g2h_12g20h_3g2h:Li-Mn-O-Ti, expected Li5Ti5Mn7O32 to be Li4Ti4Mn5O18" +mp-753110,Li2Ti(CoO3)2,-7.1706517909,-2.1151876448,0.1146327136,0.1146327136,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Co-Li-O-Ti,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_d_e_2f2g_a:Co-Li-O-Ti, expected Li2Ti(CoO6)2 to be Li2Ti(CoO3)2" +mp-767219,Li4Ti4Mn(Co2O9)2,-7.7102647539,-2.3601569214,0.0977102901,0.0977102901,GGA+U,Pbam,A4B4CD18E4_oP62_55_gh_2g_a_4g5h_gh:Co-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4CD18E4_oP62_55_3g2h_5g_a_12g20h_3g2h:Co-Li-Mn-O-Ti, expected Li10Ti10Mn(Co5O32)2 to be Li4Ti4Mn(Co2O9)2" +mp-761095,Li2TiMn2O6,-7.8845743021,-2.4557106111,0.0869220617,0.0869220617,GGA+U,P2_1/c,A2B2C6D_mP66_14_3e_3e_9e_ae:Li-Mn-O-Ti,66.0,"Invalid WP multiplicities - A2B2C6D_mP66_14_9e_11e_33e_2a2e:Li-Mn-O-Ti, expected Li9Ti3Mn11O33 to be Li2TiMn2O6" +mp-776053,Li2TiMn2O6,-7.8999341127,-2.4710704217,0.0715622511,0.0715622511,GGA+U,Cmce,A2B2C6D_oC44_64_e_d_fg_a:Li-Mn-O-Ti,22.0,A2B2C6D_oC44_64_e_d_fg_a:Li-Mn-O-Ti +mp-756540,Li3Ti4MnO12,-8.1118990805,-2.8203482558,0.1206027974,0.1206027974,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-Ti,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-Ti +mp-803475,TiMn9O20,-7.1955866127,-0.8860064837,1.0902524637,1.0902524637,GGA+U,P-1,A9B20C_aP60_2_ce8i_20i_ab:Mn-O-Ti,60.0,"Invalid WP multiplicities - A9B20C_aP60_2_ce16i_39i_ab:Mn-O-Ti, expected TiMn17O39 to be TiMn9O20" +mp-771265,TiMn9O20,-8.2265891352,-1.9170090062,0.0592499412,0.0592499412,GGA+U,C2/m,A9B20C_mC120_12_e4i2j_10i5j_ac:Mn-O-Ti,60.0,"Invalid WP multiplicities - A9B20C_mC120_12_2e8i7j_19i16j_ad:Mn-O-Ti, expected TiMn24O51 to be TiMn9O20" +mp-774293,Li4Ti4Mn4CoO18,-8.0920019044,-2.5431491528,0.0782195398,0.0782195398,GGA+U,Pbam,AB4C4D18E4_oP62_55_a_2g_gh_4g5h_gh:Co-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - AB4C4D18E4_oP62_55_a_5g_3g2h_12g20h_3g2h:Co-Li-Mn-O-Ti, expected Li10Ti10Mn10CoO64 to be Li4Ti4Mn4CoO18" +mp-754914,Li2TiMnO4,-7.7484840256,-2.6657205397,0.0661861587,0.0661861587,GGA+U,P2/m,A2BC4D_mP8_10_bc_d_mn_h:Li-Mn-O-Ti,32.0,A2BC4D_mP8_10_bc_e_mn_g:Li-Mn-O-Ti +mp-755668,Li2TiMnO4,-7.7473605288,-2.6645970429,0.0673096556,0.0673096556,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Mn-O-Ti,32.0,A2BC4D_oI32_74_ac_b_hi_d:Li-Mn-O-Ti +mp-754547,Li2TiMnO4,-7.7554276941,-2.6726642082,0.0592424903,0.0592424903,GGA+U,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Li-Mn-O-Ti,32.0,A2BC4D_tI16_119_ac_b_ef_d:Li-Mn-O-Ti +mp-761048,Li5TiMn3O8,-7.2947743912,-2.3242060432,0.0837020182,0.0837020182,GGA+U,P1,A5B3C8D_aP68_1_20a_12a_32a_4a:Li-Mn-O-Ti,68.0,A5B3C8D_aP68_1_20a_12a_32a_4a:Li-Mn-O-Ti +mp-770956,Li2TiMn2O5,-8.002715809,-2.52563462,0.0558617675,0.0558617675,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Li-Mn-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_9c_ab:Li-Mn-O-Ti, expected Li2TiMn2O9 to be Li2TiMn2O5" +mp-770961,Li2TiMn2O5,-7.9910882735,-2.5140070845,0.067489303,0.067489303,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Li-Mn-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_9c_ab:Li-Mn-O-Ti, expected Li2TiMn2O9 to be Li2TiMn2O5" +mp-776100,Ti5Mn3O16,-8.8599726612,-2.7720341054,0.094524102,0.094524102,GGA+U,Cm,A3B16C5_mC48_8_ab_8a4b_3ab:Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B16C5_mC48_8_ab_8a6b_3a2b:Mn-O-Ti, expected Ti7Mn3O20 to be Ti5Mn3O16" +mp-761137,Li10Ti3Mn5O16,-7.3719332444,-2.438615581,0.1037396775,0.1037396775,GGA+U,P1,A10B5C16D3_aP34_1_10a_5a_16a_3a:Li-Mn-O-Ti,34.0,A10B5C16D3_aP34_1_10a_5a_16a_3a:Li-Mn-O-Ti +mp-743867,TiMnO3,-9.134469726,-2.7549550375000003,0.200412395,0.1692860775,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Mn-O-Ti,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Mn-O-Ti, expected TiMnO6 to be TiMnO3" +mp-697089,TiMnO3,-8.471604507,-2.0920898185,0.863277614,0.8321512965000001,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Mn-O-Ti,10.0,"Invalid WP multiplicities - AB3C_aP10_2_i_6i_i:Mn-O-Ti, expected TiMnO6 to be TiMnO3" +mp-2234285,TiMnO3,-9.135411479,-2.7558967905,0.199470642,0.1683443245,GGA+U,C2/m,AB3C_mC20_12_i_3i_i:Mn-O-Ti,10.0,"Invalid WP multiplicities - AB3C_mC20_12_i_6i_i:Mn-O-Ti, expected TiMnO6 to be TiMnO3" +mp-556925,TiMnO3,-9.274892319,-2.8953776305,0.059989802,0.0288634845,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Mn-O-Ti,20.0,AB3C_oP20_62_c_cd_a:Mn-O-Ti +mp-19082,TiMnO3,-9.334882121,-2.9553674325,0.0,-0.0311263175,GGA+U,R-3,AB3C_hR30_148_c_f_c:Mn-O-Ti,10.0,AB3C_hR30_148_c_f_c:Mn-O-Ti +mp-19376,TiMnO3,-9.2985630085,-2.91904832,0.0363191125,0.005192795,GGA+U,R3c,AB3C_hR30_161_a_b_a:Mn-O-Ti,20.0,AB3C_hR30_161_a_b_a:Mn-O-Ti +mp-1301329,LiTiMnO4,-8.2669181521,-2.7307488635,0.0195736593,0.0195736593,GGA+U,C2/c,ABC4D_mC28_15_e_c_2f_a:Li-Mn-O-Ti,28.0,ABC4D_mC28_15_e_a_2f_c:Li-Mn-O-Ti +mp-850215,LiTiMnO4,-8.254082595,-2.7179133064,0.0324092164,0.0324092164,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Ti,28.0,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Ti +mp-774782,LiTiMnO4,-8.1936957236,-2.6575264349000003,0.0927960879,0.0927960879,GGA+U,P4_322,ABC4D_tP28_95_a_c_2d_b:Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_c_3d_b:Li-Mn-O-Ti, expected LiTiMnO6 to be LiTiMnO4" +mp-754722,Li4Ti3MnO8,-7.8167551344,-2.8131493532,0.0855557675,0.0855557675,GGA+U,R-3m,A4BC8D3_hR48_166_ae_b_ch_d:Li-Mn-O-Ti,16.0,"Invalid WP multiplicities - A4BC8D3_hR48_166_ae_b_2c2h_d:Li-Mn-O-Ti, expected Li4Ti3MnO16 to be Li4Ti3MnO8" +mp-771262,Li5Ti2Mn5O12,-7.9067428988,-2.4689954253,0.042335916,0.042335916,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Mn-O-Ti,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Mn-O-Ti, expected Li9Ti2Mn5O12 to be Li5Ti2Mn5O12" +mp-781664,Li3Ti2(CoO4)2,-7.4692264887,-2.4486999611,0.0938815581,0.0938815581,GGA+U,P-1,A2B3C8D2_aP15_2_ac_deg_4i_bf:Co-Li-O-Ti,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_ac_deg_7i_bf:Co-Li-O-Ti, expected Li3Ti2(CoO7)2 to be Li3Ti2(CoO4)2" +mp-762834,LiTi2Co3O10,-7.6116603613,-2.0809261489,0.097854774,0.097854774,GGA+U,P1,A3BC10D2_aP16_1_3a_a_10a_2a:Co-Li-O-Ti,16.0,A3BC10D2_aP16_1_3a_a_10a_2a:Co-Li-O-Ti +mp-758512,Li3Ti2Mn5O12,-8.2052905335,-2.4467408231,0.0881984642,0.0881984642,GGA+U,P1,A3B5C12D2_aP66_1_9a_15a_36a_6a:Li-Mn-O-Ti,66.0,A3B5C12D2_aP66_1_9a_15a_36a_6a:Li-Mn-O-Ti +mp-756906,Li4TiCo3O8,-6.8536156056,-2.0767626957,0.0786211795,0.0786211795,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Co-Li-O-Ti,16.0,A3B4C8D_aP16_1_3a_4a_8a_a:Co-Li-O-Ti +mp-1293153,Li4TiCo3O8,-6.8389907681,-2.0621378582,0.093246017,0.093246017,GGA+U,P1,A3B4C8D_aP32_1_6a_8a_16a_2a:Co-Li-O-Ti,32.0,A3B4C8D_aP32_1_6a_8a_16a_2a:Co-Li-O-Ti +mp-1297766,Li4TiCo3O8,-6.8613568828,-2.0845039729,0.0708799023,0.0708799023,GGA+U,P1,A3B4C8D_aP32_1_6a_8a_16a_2a:Co-Li-O-Ti,32.0,A3B4C8D_aP32_1_6a_8a_16a_2a:Co-Li-O-Ti +mp-803628,Li4TiCo3O8,-6.8507632506,-2.0739103407,0.0814735345,0.0814735345,GGA+U,P-1,A3B4C8D_aP32_2_ah2i_bcef2i_8i_dg:Co-Li-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_ah2i_bcef2i_14i_dg:Co-Li-O-Ti, expected Li4TiCo3O14 to be Li4TiCo3O8" +mp-1275013,Li4TiCo3O8,-6.8605933169,-2.083740407,0.0716434683,0.0716434683,GGA+U,P-1,A3B4C8D_aP32_2_adghi_bcef2i_8i_i:Co-Li-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_abefi_abce2i_14i_i:Co-Li-O-Ti, expected Li4TiCo3O14 to be Li4TiCo3O8" +mp-756719,Li4TiCo3O8,-6.8527573072,-2.0759043973,0.079479478,0.079479478,GGA+U,C2/m,A3B4C8D_mC32_12_ae_cdf_2ij_b:Co-Li-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_abcefh_4i_14i_dg:Co-Li-O-Ti, expected Li4TiCo3O14 to be Li4TiCo3O8" +mp-1277669,Li4TiCo3O8,-6.8350785253,-2.0582256154,0.0971582598,0.0971582598,GGA+U,C2/c,A3B4C8D_mC64_15_abc_2ef_4f_d:Co-Li-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_mC64_15_a2c2d_2e2f_10f_b:Co-Li-O-Ti, expected Li6Ti(CoO4)5 to be Li4TiCo3O8" +mp-1307386,Li4TiCo3O8,-6.8503691259,-2.073516216,0.0818676592,0.0818676592,GGA+U,C2/c,A3B4C8D_mC64_15_abc_2ef_4f_d:Co-Li-O-Ti,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_abcefh_4i_14i_dg:Co-Li-O-Ti, expected Li4TiCo3O14 to be Li4TiCo3O8" +mp-1664613,Li2Ti3CoO8,-8.2274467262,-2.9284360642,0.056657048,0.0455035296,GGA+U,Cm,AB2C8D3_mC112_8_4a_8a_16a8b_4a4b:Co-Li-O-Ti,56.0,AB2C8D3_hP28_186_b_ab_ab2c_c:Co-Li-O-Ti +mp-1662153,Li2Ti3CoO8,-8.226935373,-2.927924711,0.0571684013,0.0460148829,GGA+U,Pmc2_1,AB2C8D3_oP56_26_ab_2a2b_4a4b4c_ab2c:Co-Li-O-Ti,56.0,AB2C8D3_hP28_186_b_ab_ab2c_c:Co-Li-O-Ti +mp-761669,Li2Ti3CoO8,-8.2487809459,-2.9497702839,0.0353228284,0.02416931,GGA+U,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Co-Li-O-Ti,56.0,AB2C8D3_hR42_160_a_2a_2a2b_b:Co-Li-O-Ti +mp-754780,Li2Ti3CoO8,-8.2304122914,-2.9314016294,0.0536914829,0.0425379645,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Li-O-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2ch_d:Co-Li-O-Ti, expected Li2Ti3CoO10 to be Li2Ti3CoO8" +mp-775110,Li2Ti3CoO8,-8.2279070782,-2.9288964162,0.0561966961,0.0450431777,GGA+U,P6_3mc,AB2C8D3_hP28_186_b_ab_ab2c_c:Co-Li-O-Ti,28.0,"Invalid WP multiplicities - AB2C8D3_hP28_186_b_a2b_a2b9c_c:Co-Li-O-Ti, expected Li3Ti3CoO30 to be Li2Ti3CoO8" +mp-768110,Li2Ti3CoO8,-8.2841037743,-2.9850931123,0.0,-0.0111535184,GGA+U,P2_13,AB2C8D3_cP56_198_a_2a_2a2b_b:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_198_a_4a_8a19b_b:Co-Li-O-Ti, expected Li4Ti3CoO65 to be Li2Ti3CoO8" +mp-1177906,Li2Ti3CoO8,-8.1825533441,-2.8835426821,0.1015504302,0.0903969118,GGA+U,P4_332,AB2C8D3_cP56_212_a_c_ce_d:Co-Li-O-Ti,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_212_a_c_8c9e_d:Co-Li-O-Ti, expected Li2Ti3CoO70 to be Li2Ti3CoO8" +mp-753655,LiTi2Mn3O10,-8.4060806919,-2.4902781988,0.0697892446,0.0697892446,GGA+U,P1,AB3C10D2_aP16_1_a_3a_10a_2a:Li-Mn-O-Ti,16.0,AB3C10D2_aP16_1_a_3a_10a_2a:Li-Mn-O-Ti +mp-772622,Li8Ti6Mn7O30,-7.8983215212,-2.5026528268,0.0926652022,0.0926652022,GGA+U,P3,A8B7C30D6_hP51_143_2a2b4c_3a4b_10d_2ab3c:Li-Mn-O-Ti,51.0,"Invalid WP multiplicities - A8B7C30D6_hP51_143_2a2b4c_3a4b_28d_2ab3c:Li-Mn-O-Ti, expected Li8Ti6Mn7O84 to be Li8Ti6Mn7O30" +mp-1101292,Ti3Mn5O16,-8.5606722508,-2.3671900887,0.0754160901,0.0754160901,GGA+U,Cm,A5B16C3_mC48_8_3ab_8a4b_ab:Mn-O-Ti,24.0,"Invalid WP multiplicities - A5B16C3_mC48_8_3ab_8a6b_ab:Mn-O-Ti, expected Ti3Mn5O20 to be Ti3Mn5O16" +mp-504732,Ti3Mn3O,-8.4285510421,-0.4115209511,0.6152340559,0.6152340559,GGA+U,Fd-3m,A3BC3_cF112_227_ce_d_f:Mn-O-Ti,28.0,A3BC3_cF112_227_ce_d_f:Mn-O-Ti +mp-759309,LiTiMn3O8,-8.16653507,-2.2539219585,0.0886642218,0.0886642218,GGA+U,P-1,AB3C8D_aP39_2_ai_bef3i_12i_ci:Li-Mn-O-Ti,39.0,"Invalid WP multiplicities - AB3C8D_aP39_2_ai_bef6i_23i_c2i:Li-Mn-O-Ti, expected Li3Ti5Mn15O46 to be LiTiMn3O8" +mp-1292456,Li3TiMn2O6,-7.6221100963,-2.4865748072,0.0548650287,0.0548650287,GGA+U,P-1,A3B2C6D_aP24_2_ad2i_2i_6i_i:Li-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_ad4i_3i_12i_i:Li-Mn-O-Ti, expected Li5TiMn3O12 to be Li3TiMn2O6" +mp-1304913,Li3TiMn2O6,-7.6153038954,-2.4797686064,0.0616712296,0.0616712296,GGA+U,Cm,A3B2C6D_mC24_8_3a_2a_6a_a:Li-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B2C6D_mC24_8_3a_4a_6a_a:Li-Mn-O-Ti, expected Li3TiMn4O6 to be Li3TiMn2O6" +mp-762163,Li3TiMn2O6,-7.6063327817,-2.4707974926,0.0706423433,0.0706423433,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Mn-O-Ti,12.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Mn-O-Ti +mp-1304450,Li3TiMn2O6,-7.6135881954,-2.4780529064,0.0633869296,0.0633869296,GGA+U,C2/m,A3B2C6D_mC48_12_ac2i_2i_6i_i:Li-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B2C6D_mC48_12_ac3i_2i_10i_i:Li-Mn-O-Ti, expected Li4TiMn2O10 to be Li3TiMn2O6" +mp-759589,Li4Ti2Mn5O12,-8.0494836102,-2.45830898,0.0664067172,0.0664067172,GGA+U,P2_1,A4B5C12D2_mP46_4_4a_5a_12a_2a:Li-Mn-O-Ti,46.0,"Invalid WP multiplicities - A4B5C12D2_mP46_4_8a_10a_24a_3a:Li-Mn-O-Ti, expected Li8Ti3Mn10O24 to be Li4Ti2Mn5O12" +mp-771056,Li7Ti5Mn12O32,-8.1918813596,-2.4583431022,0.0346328944,0.0346328944,GGA+U,P1,A7B12C32D5_aP56_1_7a_12a_32a_5a:Li-Mn-O-Ti,56.0,A7B12C32D5_aP56_1_7a_12a_32a_5a:Li-Mn-O-Ti +mp-769513,Li4Ti3Mn6O18,-8.1063261426,-2.4503694951,0.06497377,0.06497377,GGA+U,Pmc2_1,A4B6C18D3_oP62_26_4a_3a3b_8a10b_2ab:Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B6C18D3_oP62_26_6a_6a4b_14a20b_3ab:Li-Mn-O-Ti, expected Li3Ti2Mn5O17 to be Li4Ti3Mn6O18" +mp-756324,Li3Ti(CoO2)4,-7.0750628725,-1.9732477796,0.0652476223,0.0652476223,GGA+U,C2/m,A4B3C8D_mC32_12_ade_cf_2ij_b:Co-Li-O-Ti,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_b2f_3i2j_c:Co-Li-O-Ti, expected Li5Ti(Co2O7)2 to be Li3Ti(CoO2)4" +mp-757064,TiMn5O12,-8.3160283667,-2.0345931993,0.0547196224,0.0547196224,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Mn-O-Ti,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2gh_4i5j_c:Mn-O-Ti, expected TiMn7O28 to be TiMn5O12" +mp-761142,Li5Ti2Co3O10,-7.1655406625,-2.3591687193,0.0379030918,0.0379030918,GGA+U,P1,A3B5C10D2_aP20_1_3a_5a_10a_2a:Co-Li-O-Ti,20.0,A3B5C10D2_aP20_1_3a_5a_10a_2a:Co-Li-O-Ti +mp-1286093,Ti2MnO4,-9.3151385568,-2.9237451039,0.0783859678,0.0783859678,GGA+U,R-3m,AB4C2_hR84_166_2c_2c2h_abh:Mn-O-Ti,28.0,AB4C2_cF56_227_a_e_d:Mn-O-Ti +mp-561097,Ti2MnO4,-9.3184534014,-2.9270599485,0.0750711232,0.0750711232,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-O-Ti,14.0,AB4C2_cF56_227_a_e_d:Mn-O-Ti +mp-757277,Li2Ti2CoO6,-7.8684813289,-2.7414558898,0.0884023094,0.0884023094,GGA+U,Cmce,AB2C6D2_oC44_64_a_e_fg_d:Co-Li-O-Ti,44.0,AB2C6D2_oC44_64_a_e_fg_d:Co-Li-O-Ti +mp-753035,Li3Ti2Mn3O10,-8.0511329286,-2.5805392829,0.0428616648,0.0428616648,GGA+U,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Li-Mn-O-Ti,36.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_2e2i_5i_i:Li-Mn-O-Ti, expected Li3Ti2Mn6O10 to be Li3Ti2Mn3O10" +mp-771910,Ti2Mn3Co3O16,-7.8891795083,-1.8996377302,0.0591058199,0.0591058199,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Mn-O-Ti, expected Ti2Mn3Co3O20 to be Ti2Mn3Co3O16" +mp-778500,Li5TiMn9O20,-7.87078034,-2.1898655342,0.0152656646,0.0152656646,GGA+U,P1,A5B9C20D_aP70_1_10a_18a_40a_2a:Li-Mn-O-Ti,70.0,A5B9C20D_aP70_1_10a_18a_40a_2a:Li-Mn-O-Ti +mp-775413,Li5TiMn9O20,-7.7958808164,-2.1149660106,0.0901651881,0.0901651881,GGA+U,C2/m,A5B9C20D_mC140_12_5i_e4i2j_10i5j_ac:Li-Mn-O-Ti,70.0,"Invalid WP multiplicities - A5B9C20D_mC140_12_9i_2e8i7j_19i16j_ad:Li-Mn-O-Ti, expected Li9TiMn24O51 to be Li5TiMn9O20" +mp-753046,Li3Ti2Co3O10,-7.3108559006,-2.1825451711,0.1533306783,0.1533306783,GGA+U,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Co-Li-O-Ti,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_e2i_9i_i:Co-Li-O-Ti, expected Li5Ti2(CoO6)3 to be Li3Ti2Co3O10" +mp-769510,Li5Ti4Co3O16,-7.4781621145,-2.4210708586000003,0.1098313517,0.1098313517,GGA+U,P1,A3B5C16D4_aP56_1_6a_10a_32a_8a:Co-Li-O-Ti,56.0,A3B5C16D4_aP56_1_6a_10a_32a_8a:Co-Li-O-Ti +mp-770518,Li4Ti3Mn3(CoO8)2,-7.842301655,-2.4075920706,0.0617370736,0.0617370736,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Co-Li-Mn-O-Ti,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Co-Li-Mn-O-Ti +mp-777417,Li4Ti5Mn3O16,-8.3713959268,-2.8804596123,0.0402351993,0.0402351993,GGA+U,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_ab_8a6b_3a2b:Li-Mn-O-Ti, expected Li4Ti7Mn3O20 to be Li4Ti5Mn3O16" +mp-754147,Li2TiCo2O5,-7.180462299,-2.1141206094,0.189440423,0.189440423,GGA+U,P1,A2B2C5D_aP20_1_4a_4a_10a_2a:Co-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Co-Li-O-Ti, expected Li2Ti(CoO5)2 to be Li2TiCo2O5" +mp-770850,Li2TiCo2O5,-7.2691126205,-2.2027709309,0.1007901015,0.1007901015,GGA+U,P-1,A2B2C5D_aP20_2_2i_aci_de4i_i:Co-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_aP20_2_4i_ac2i_de8i_i:Co-Li-O-Ti, expected Li3TiCo4O9 to be Li2TiCo2O5" +mp-769646,Li2TiCo2O5,-7.2862864865,-2.2199447969,0.0836162355,0.0836162355,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Co-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Co-Li-O-Ti, expected Li2Ti(CoO5)2 to be Li2TiCo2O5" +mp-753453,Li2TiCo2O5,-7.2783940845,-2.2120523949,0.0915086375,0.0915086375,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Co-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Co-Li-O-Ti, expected Li2Ti(CoO5)2 to be Li2TiCo2O5" +mp-770848,Li2TiCo2O5,-7.3102524555,-2.2439107659,0.0596502665,0.0596502665,GGA+U,C2/c,A2B2C5D_mC40_15_2e_2e_c2f_e:Co-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_15_4e_4e_2a6f_e:Co-Li-O-Ti, expected Li4Ti(Co2O7)2 to be Li2TiCo2O5" +mp-766836,Li4Ti5Mn4O18,-8.3286741202,-2.7544286517,0.0686839092,0.0686839092,GGA+U,Pbam,A4B4C18D5_oP62_55_2g_gh_4g5h_agh:Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4C18D5_oP62_55_5g_3g2h_12g20h_2a4g2h:Li-Mn-O-Ti, expected Li5Ti7Mn5O32 to be Li4Ti5Mn4O18" +mp-756623,Li3Ti2MnO6,-7.8024294667,-2.7724377839,0.0802066772,0.0802066772,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Mn-O-Ti,24.0,A3BC6D2_mC24_12_ai_d_3i_i:Li-Mn-O-Ti +mp-772971,Li4Ti3Mn5O16,-8.1184606218,-2.537058359,0.042891875,0.042891875,GGA+U,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Mn-O-Ti, expected Li4Ti3Mn5O20 to be Li4Ti3Mn5O16" +mp-760216,Li11Ti4Mn12O32,-7.820140785099999,-2.3825417704,0.0537901219,0.0537901219,GGA+U,C2,A11B12C32D4_mC118_5_2ab4c_ab5c_16c_abc:Li-Mn-O-Ti,59.0,"Invalid WP multiplicities - A11B12C32D4_mC118_5_2ab6c_ab10c_32c_abc:Li-Mn-O-Ti, expected Li15Ti4Mn22O64 to be Li11Ti4Mn12O32" +mp-1517530,NaSm(NiO3)4,-5.7300989739,-0.8122143804,0.4443281365,0.4443281365,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Na-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Na-Ni-O-Sm, expected NaSm(NiO4)4 to be NaSm(NiO3)4" +mp-1519393,NaSmHf2O6,-9.06161156,-3.4980493844,0.1346428055,0.1346428055,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Hf-Na-O-Sm,10.0,A2BC6D_cF40_225_c_a_d_b:Hf-Na-O-Sm +mp-1519351,NaSmHf4O12,-9.0493090072,-3.2031905581,0.1812772153,0.1812772153,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Hf-Na-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Hf-Na-O-Sm, expected NaSmHf4O18 to be NaSmHf4O12" +mp-14526,Na4Hf2(GeO4)3,-7.3723872879,-2.6850621767,0.0,-0.0042850883,GGA,R-3c,A3B2C4D12_hR126_167_e_c_be_2f:Ge-Hf-Na-O,42.0,"Invalid WP multiplicities - A3B2C4D12_hR126_167_e_c_2b2e_2f:Ge-Hf-Na-O, expected Na8Hf2(GeO4)3 to be Na4Hf2(GeO4)3" +mp-2232111,MgCu4(GeO4)2,-5.8479689487,-1.39352414,0.2562314211,0.2562314211,GGA,C2/m,A4B2CD8_mC30_12_ace_i_b_2ij:Cu-Ge-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_12_bcf_i_a_4i3j:Cu-Ge-Mg-O, expected MgCu4(GeO10)2 to be MgCu4(GeO4)2" +mp-2232124,MgCu4(GeO4)2,-5.8924404367,-1.437995628,0.2117599331,0.2117599331,GGA,Imm2,A4B2CD8_oI30_44_cd_ab_a_2c2d:Cu-Ge-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_oI30_44_2cd_ab_a_3c3d:Cu-Ge-Mg-O, expected MgCu6(GeO6)2 to be MgCu4(GeO4)2" +mp-1205707,Tb2MgCu2,-4.042919293,-0.229434175,0.0,-0.0269327277,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Tb,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Tb +mp-2230139,MgCu3(GeO3)4,-6.2991005025,-1.7115867018,0.1467099665,0.1467099665,GGA,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Ge-Mg-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Ge-Mg-O +mp-1042915,MgCu(GeO3)2,-6.4950287585,-2.0324612887,0.0600069742,0.0600069742,GGA,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Cu-Ge-Mg-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Cu-Ge-Mg-O +mp-1042890,MgCu(GeO3)2,-6.4885591515,-2.0259916817,0.0664765812,0.0664765812,GGA,C2/c,AB2CD6_mC40_15_e_f_e_3f:Cu-Ge-Mg-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Cu-Ge-Mg-O +mp-1208539,Tb2Cu(GeO4)2,-7.4960144938,-2.7123603192,0.0184073117,0.0184073117,GGA,Cm,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Tb,26.0,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Tb +mp-10966,Tb2Cu(GeO3)4,-7.3204764384,-2.5194072371000003,0.0051983198,0.0051983198,GGA,P-1,AB4C12D2_aP19_2_a_2i_6i_i:Cu-Ge-O-Tb,19.0,"Invalid WP multiplicities - AB4C12D2_aP19_2_a_2i_7i_i:Cu-Ge-O-Tb, expected Tb2Cu(Ge2O7)2 to be Tb2Cu(GeO3)4" +mp-542933,TbMg2Cu9,-3.9033467437,-0.1760312246,0.0,-0.0102244521,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Tb,24.0,A9B2C_hP24_194_abck_f_d:Cu-Mg-Tb +mp-1206656,TbMg2Cu,-2.93079735,0.0527358675,0.2099499995,0.2099499995,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Mg-Tb,4.0,AB2C_cF16_225_a_c_b:Cu-Mg-Tb +mp-2239972,MgCu2(GeO3)2,-6.0794259173,-1.6498912475,0.2567095761,0.2567095761,GGA,P2/m,A2B2CD6_mP11_10_ac_n_d_m2n:Cu-Ge-Mg-O,11.0,A2B2CD6_mP11_10_ac_n_d_m2n:Cu-Ge-Mg-O +mp-2217873,MgCu2(GeO3)2,-5.9745130427,-1.5449783730000002,0.3616224506,0.3616224506,GGA,Pmm2,A2B2CD6_oP11_25_e_bd_a_ac2f:Cu-Ge-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_oP11_25_e_bd_a_ac4f:Cu-Ge-Mg-O, expected MgCu2(GeO5)2 to be MgCu2(GeO3)2" +mp-2218067,MgCu2(GeO3)2,-5.9718987309,-1.5423640611,0.3642367624,0.3642367624,GGA,Pmm2,A2B2CD6_oP11_25_f_ac_a_bd2e:Cu-Ge-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_oP11_25_f_ac_a_bd4e:Cu-Ge-Mg-O, expected MgCu2(GeO5)2 to be MgCu2(GeO3)2" +mp-2230010,Tb2MgCu(GeO3)4,-7.102356884,-2.4613271402,0.1712197335,0.1712197335,GGA,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Tb,20.0,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Tb +mp-2229984,Tb2MgCu(GeO3)4,-7.0629645225,-2.4219347788,0.210612095,0.210612095,GGA,P-1,AB4CD12E2_aP20_2_a_2i_d_6i_i:Cu-Ge-Mg-O-Tb,20.0,"Invalid WP multiplicities - AB4CD12E2_aP20_2_a_2i_d_7i_i:Cu-Ge-Mg-O-Tb, expected Tb2MgCu(Ge2O7)2 to be Tb2MgCu(GeO3)4" +mp-567690,TbMg4Cu,-2.6395407142,-0.1170918858,0.0,-0.0074979076,GGA,Cmmm,AB4C_oC48_65_q_acgp2q_gi:Cu-Mg-Tb,24.0,"Invalid WP multiplicities - AB4C_oC48_65_q_acg2p6q_gi:Cu-Mg-Tb, expected TbMg9Cu to be TbMg4Cu" +mp-1329932,Mg3Cu2(GeO4)3,-6.33250671,-2.0210766305,0.1080050548,0.1080050548,GGA,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Cu-Ge-Mg-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Cu-Ge-Mg-O +mp-1227742,BaSr(SnO3)2,-6.720190809,-2.5894163719,0.0240539227,0.0240539227,GGA,P4/mmm,AB6C2D_tP10_123_c_abi_g_d:Ba-O-Sn-Sr,10.0,AB6C2D_tP10_123_c_abi_g_d:Ba-O-Sn-Sr +mp-1227736,BaSr(SnO3)2,-6.715938556,-2.5851641189,0.0283061757,0.0283061757,GGA,Fm-3m,AB6C2D_cF40_225_a_d_c_b:Ba-O-Sn-Sr,10.0,AB6C2D_cF40_225_a_d_c_b:Ba-O-Sn-Sr +mp-1517243,Sr2PrSnO6,-6.9779432585,-2.7929835801,0.1083547477,0.1083547477,GGA,Pn-3,A6BCD2_cP40_201_h_b_c_ad:O-Pr-Sn-Sr,40.0,A6BCD2_cP40_201_h_b_c_ad:O-Pr-Sn-Sr +mp-1517092,Sr2PrSnO6,-6.899536004,-2.7145763256,0.1867620022,0.1867620022,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:O-Pr-Sn-Sr,10.0,A6BCD2_cF40_225_e_a_b_c:O-Pr-Sn-Sr +mp-1227830,BaSr2(SnO3)3,-6.7333514243,-2.6102263701,0.0116568067,0.0116568067,GGA,C2,AB9C3D2_mC60_5_c_ab8c_3c_abc:Ba-O-Sn-Sr,30.0,"Invalid WP multiplicities - AB9C3D2_mC60_5_c_ab14c_6c_abc:Ba-O-Sn-Sr, expected BaSr2(Sn2O5)3 to be BaSr2(SnO3)3" +mp-1228128,Ba3SrSn12,-3.8856771856,-0.4130971523,0.0216353153,0.0216353153,GGA,Pmm2,A3B12C_oP16_25_abc_abcd2e2f_d:Ba-Sn-Sr,16.0,"Invalid WP multiplicities - A3B12C_oP16_25_abc_abcd4e4f_d:Ba-Sn-Sr, expected Ba3SrSn20 to be Ba3SrSn12" +mp-1228079,Ba3Sr(SnO3)4,-6.7296903655,-2.5874418541,0.0134091174,0.0134091174,GGA,Pmmm,A3B12C4D_oP20_47_ci_abj2x_efl_d:Ba-O-Sn-Sr,20.0,"Invalid WP multiplicities - A3B12C4D_oP20_47_c2i_ab2j4x_ef2l_d:Ba-O-Sn-Sr, expected Ba5Sr(Sn3O11)2 to be Ba3Sr(SnO3)4" +mp-1522690,BaSrPrSnO6,-7.017907464,-2.8099996369,0.0753969462,0.0753969462,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Ba-O-Pr-Sn-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Ba-O-Pr-Sn-Sr, expected BaSrPrSnO12 to be BaSrPrSnO6" +mp-1522692,BaSrPrSnO6,-7.01030206,-2.8023942329,0.0830023502,0.0830023502,GGA,P222,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Pr-Sn-Sr,40.0,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Pr-Sn-Sr +mp-1522571,BaSrPrSnO6,-6.961719739,-2.7538119119,0.1315846712,0.1315846712,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Pr-Sn-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Pr-Sn-Sr +mp-1227795,BaSr3(SnO3)4,-6.7242445275,-2.6049441647,0.0211454531,0.0211454531,GGA,Pm,AB12C4D3_mP20_6_a_2a2b4c_2c_a2b:Ba-O-Sn-Sr,20.0,"Invalid WP multiplicities - AB12C4D3_mP20_6_a_2a2b8c_4c_a2b:Ba-O-Sn-Sr, expected BaSr3(Sn2O5)4 to be BaSr3(SnO3)4" +mp-1228394,Ba2PrSnO6,-7.031946495,-2.8010905192,0.0630019792,0.0630019792,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:Ba-O-Pr-Sn,10.0,A2B6CD_hR30_148_c_f_a_b:Ba-O-Pr-Sn +mp-962062,BaSrSn,-2.7383610367,-0.1990142872,0.41453405,0.41453405,GGA,F-43m,ABC_cF12_216_a_b_c:Ba-Sn-Sr,3.0,ABC_cF12_216_a_b_c:Ba-Sn-Sr +mp-1228076,Ba4Sr(SnO3)5,-6.7319136596,-2.5873703333,0.0109567735,0.0109567735,GGA,P4/mmm,A4B15C5D_tP25_123_2h_ae2g2i_b2g_c:Ba-O-Sn-Sr,25.0,"Invalid WP multiplicities - A4B15C5D_tP25_123_3h_a2e3g6i_b3g_c:Ba-O-Sn-Sr, expected Ba6Sr(SnO5)7 to be Ba4Sr(SnO3)5" +mp-1228101,Ba4Sr(SnO3)5,-6.7312782016,-2.5867348753,0.0115922315,0.0115922315,GGA,R-3m,A4B15C5D_hR75_166_2c_d2h_a2c_b:Ba-O-Sn-Sr,25.0,"Invalid WP multiplicities - A4B15C5D_hR75_166_3c_3d8h_a4c_b:Ba-O-Sn-Sr, expected Ba6Sr(Sn3O19)3 to be Ba4Sr(SnO3)5" +mp-6122,Ba2NdSbO6,-7.255721778,-3.014198696,0.0,-0.0810832646,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Nd-O-Sb,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-Nd-O-Sb +mp-1522439,Ba2NdSbO6,-7.250960619,-3.009437537,0.004761159,-0.0763221056,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-Sb +mp-14292,Ba2NdSbO6,-7.251232548,-3.009709466,0.00448923,-0.0765940346,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Sb +mp-1046897,BaMg(SbO2)4,-6.1533997471,-1.8956304871,0.3032715983,0.3032715983,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Sb,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Sb +mp-1016609,BaMg6Sb,-2.0206899812,-0.0644829212,0.2515773855,0.2515773855,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Sb, expected BaMg12Sb to be BaMg6Sb" +mp-1016618,BaMg6Sb,-2.0188924737,-0.0626854137,0.253374893,0.253374893,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Sb, expected BaMg12Sb to be BaMg6Sb" +mp-16978,Ba3MgSb2O9,-6.7093345083,-2.7003074583,0.0,-0.0508563583,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Mg-O-Sb,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Mg-O-Sb +mp-2239922,Ba2NdMgSbO6,-6.7550289,-2.7536188209,0.2121618821,0.2121618821,GGA,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Nd-O-Sb,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Nd-O-Sb +mp-2240747,Ba2NdMgSbO6,-6.5375461973,-2.5361361182,0.4296445848,0.4296445848,GGA,P-1,A2BCD6E_aP11_2_i_a_c_3i_d:Ba-Mg-Nd-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_aP11_2_i_a_c_6i_d:Ba-Mg-Nd-O-Sb, expected Ba2NdMgSbO12 to be Ba2NdMgSbO6" +mp-2239904,Ba2NdMgSbO6,-6.8102805518,-2.8088704727,0.1569102303,0.1569102303,GGA,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nd-O-Sb,11.0,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nd-O-Sb +mp-9567,Ba(MgSb)2,-3.521034274,-0.84552677,0.0,-0.1672778645,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Mg-Sb,5.0,AB2C2_hP5_164_a_d_d:Ba-Mg-Sb +mp-1026541,BaMg14Sb,-1.8001274669,-0.0218839119,0.145257318,0.145257318,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Sb, expected BaMg18Sb to be BaMg14Sb" +mp-1026549,BaMg14Sb,-1.7454829338,0.0327606213,0.1999018512,0.1999018512,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Sb, expected BaMg26Sb to be BaMg14Sb" +mp-2224172,BaMg(SbO3)2,-6.427347488,-2.2816085143,0.1866764175,0.1866764175,GGA,P312,ABC6D2_hP10_149_c_a_l_bf:Ba-Mg-O-Sb,10.0,ABC6D2_hP10_149_c_a_l_bf:Ba-Mg-O-Sb +mp-2223085,BaMg(SbO3)2,-6.355439572,-2.2097005982,0.2585843335,0.2585843335,GGA,P-31m,ABC6D2_hP10_162_b_a_k_c:Ba-Mg-O-Sb,10.0,ABC6D2_hP10_162_b_a_k_c:Ba-Mg-O-Sb +mp-1522185,CaPrHfCrO6,-8.923013326,-3.3153258857,0.1581912028,0.1581912028,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Cr-Hf-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Cr-Hf-O-Pr +mp-1227145,CaPrCrO4,-8.3061988914,-3.1310120414,0.0461272111,0.0461272111,GGA+U,Cmc2_1,ABC4D_oC28_36_a_a_2ab_a:Ca-Cr-O-Pr,14.0,"Invalid WP multiplicities - ABC4D_oC28_36_a_a_4ab_a:Ca-Cr-O-Pr, expected CaPrCrO6 to be CaPrCrO4" +mp-1044723,CaPrCr2O6,-8.435189288,-2.8579160038,0.0421593954,0.0421593954,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Cr-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ca-Cr-O-Pr, expected CaPrCr2O12 to be CaPrCr2O6" +mp-1235024,LiNb2Te4Cl10O,-4.6756797372,-1.4469679688,0.0394722475,0.0394722475,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235031,LiNb2Te4Cl10O,-4.6821156039,-1.4534038355,0.0330363808,0.0330363808,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235057,LiNb2Te4Cl10O,-4.6801178533000005,-1.4514060849,0.0350341314,0.0350341314,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235095,LiNb2Te4Cl10O,-4.6663095,-1.4375977316,0.0488424847,0.0488424847,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235201,LiNb2Te4Cl10O,-4.6687164933,-1.4400047249,0.0464354914,0.0464354914,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235324,LiNb2Te4Cl10O,-4.6798275944,-1.451115826,0.0353243903,0.0353243903,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235510,LiNb2Te4Cl10O,-4.672466385,-1.4437546166000002,0.0426855997,0.0426855997,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235735,LiNb2Te4Cl10O,-4.6727246089,-1.4440128405,0.0424273758,0.0424273758,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1236046,LiNb2Te4Cl10O,-4.6611064911,-1.4323947227,0.0540454936,0.0540454936,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1236135,LiNb2Te4Cl10O,-4.6867514561,-1.4580396877,0.0284005286,0.0284005286,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Li-Nb-O-Te +mp-1235262,LiNb2Te4Cl10O,-4.6509997244,-1.422287956,0.0641522603,0.0641522603,GGA,P-1,A10BC2DE4_aP18_2_5i_b_i_c_2i:Cl-Li-Nb-O-Te,18.0,"Invalid WP multiplicities - A10BC2DE4_aP18_2_10i_b_i_c_3i:Cl-Li-Nb-O-Te, expected LiNb2Te6Cl20O to be LiNb2Te4Cl10O" +mp-754519,LiNb(TeO4)3,-6.5492366129,-1.7962713117,0.0199760082,0.0199760082,GGA,P1,ABC12D3_aP17_1_a_a_12a_3a:Li-Nb-O-Te,17.0,ABC12D3_aP17_1_a_a_12a_3a:Li-Nb-O-Te +mp-761922,LiNb(TeO4)3,-6.5453493721000005,-1.7923840708,0.0238632491,0.0238632491,GGA,P1,ABC12D3_aP34_1_2a_2a_24a_6a:Li-Nb-O-Te,34.0,ABC12D3_aP34_1_2a_2a_24a_6a:Li-Nb-O-Te +mp-849223,LiNb(TeO4)3,-6.5542171429,-1.8012518417,0.0149954782,0.0149954782,GGA,P2,ABC12D3_mP17_3_a_a_6e_bcd:Li-Nb-O-Te,17.0,"Invalid WP multiplicities - ABC12D3_mP17_3_a_a_11e_bcd:Li-Nb-O-Te, expected LiNbTe3O22 to be LiNb(TeO4)3" +mp-758389,LiNb(TeO4)3,-6.5562354559,-1.8032701546,0.0129771653,0.0129771653,GGA,P2,ABC12D3_mP17_3_a_d_6e_abc:Li-Nb-O-Te,17.0,"Invalid WP multiplicities - ABC12D3_mP17_3_a_b_11e_acd:Li-Nb-O-Te, expected LiNbTe3O22 to be LiNb(TeO4)3" +mp-754751,Li3Nb3TeO12,-7.7693818326,-2.5833684564,0.0183036486,0.0183036486,GGA,P1,A3B3C12D_aP19_1_3a_3a_12a_a:Li-Nb-O-Te,19.0,A3B3C12D_aP19_1_3a_3a_12a_a:Li-Nb-O-Te +mp-756755,Li3Nb3TeO12,-7.7675554363,-2.5815420601,0.0201300449,0.0201300449,GGA,P1,A3B3C12D_aP19_1_3a_3a_12a_a:Li-Nb-O-Te,19.0,A3B3C12D_aP19_1_3a_3a_12a_a:Li-Nb-O-Te +mp-759998,Li4Nb(TeO4)3,-6.32532927,-1.9989703339,0.0866416029,0.0866416029,GGA,P1,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Nb-O-Te,20.0,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Nb-O-Te +mp-756515,Li4Nb(TeO4)3,-6.3281433695,-2.0017844334,0.0838275034,0.0838275034,GGA,P2,A4BC12D3_mP20_3_abcd_a_6e_bcd:Li-Nb-O-Te,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_3_abcd_a_11e_bcd:Li-Nb-O-Te, expected Li4NbTe3O22 to be Li4Nb(TeO4)3" +mp-1204459,NbTe4Cl4O,-4.6860293625,-1.184492966,0.0179641623,0.0179641623,GGA,P-1,A4BCD4_aP40_2_8i_2i_2i_8i:Cl-Nb-O-Te,40.0,A4BCD4_aP40_2_8i_2i_2i_8i:Cl-Nb-O-Te +mp-29713,NbTeCl9,-4.1563334073,-1.4398387824,0.0108386541,0.0108386541,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-Nb-Te,22.0,A9BC_aP22_2_9i_i_i:Cl-Nb-Te +mp-669348,NbTeCl9,-4.1639871,-1.4474924752,0.0031849614,0.0031849614,GGA,C2/c,A9BC_mC88_15_9f_f_f:Cl-Nb-Te,44.0,"Invalid WP multiplicities - A9BC_mC88_15_34f_f_f:Cl-Nb-Te, expected NbTeCl34 to be NbTeCl9" +mp-555641,Nb2Te4Cl10O,-4.7019487271,-1.3956023174,0.0077542865,0.0077542865,GGA,P-1,A10B2CD4_aP17_2_5i_i_a_2i:Cl-Nb-O-Te,17.0,"Invalid WP multiplicities - A10B2CD4_aP17_2_10i_i_a_3i:Cl-Nb-O-Te, expected Nb2Te6Cl20O to be Nb2Te4Cl10O" +mp-669521,Nb3Te4ClO15,-7.3570045266,-2.1863086126,0.001205458,-0.005687522,GGA,P1,AB3C15D4_aP92_1_4a_12a_60a_16a:Cl-Nb-O-Te,92.0,"Invalid WP multiplicities - AB3C15D4_mC184_15_3e_12f_57f_12f:Cl-Nb-O-Te, expected Nb8Te8ClO38 to be Nb3Te4ClO15" +mp-1199992,Nb3Te4ClO15,-7.3582099847,-2.1875140707,0.0,-0.0068929801,GGA,C2/c,AB3C15D4_mC184_15_2e_3f_15f_4f:Cl-Nb-O-Te,92.0,AB3C15D4_mC184_15_2e_3f_15f_4f:Cl-Nb-O-Te +mp-755915,Li4Nb3TeO12,-7.6115111085,-2.5893522577,0.0393724065,0.0393724065,GGA,P1,A4B3C12D_aP20_1_4a_3a_12a_a:Li-Nb-O-Te,20.0,A4B3C12D_aP20_1_4a_3a_12a_a:Li-Nb-O-Te +mp-28938,Nb3TeCl7,-5.8467360291,-1.6297380624,0.0,-0.0393343935,GGA,P-3m1,A7B3C_hP22_164_d2i_i_d:Cl-Nb-Te,22.0,"Invalid WP multiplicities - A7B3C_hP22_164_d3i_i_d:Cl-Nb-Te, expected Nb3TeCl10 to be Nb3TeCl7" +mp-1521618,CaEuZrMnO6,-8.994537028,-3.029292041,0.1360556455,0.1360556455,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mn-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mn-O-Zr +mp-1516447,CaEuMn4O12,-7.6990492622,-1.6839977409,0.4065455449,0.4065455449,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ca-Eu-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ca-Eu-Mn-O, expected CaEuMn4O16 to be CaEuMn4O12" +mp-1520797,NaGdMn4O12,-7.5163338028,-1.3270575118,0.6374403432,0.6374403432,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Gd-Mn-Na-O,,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Gd-Mn-Na-O, expected NaGdMn4O18 to be NaGdMn4O12" +mp-1518489,NaSrGdMnO6,-7.958154026,-2.3651251714,0.1423044138,0.1423044138,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Gd-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Gd-Mn-Na-O-Sr +mp-1522511,NaSr2MnO6,-6.38591822,-2.031552244,0.1637252115,0.1637252115,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Mn-Na-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Mn-Na-O-Sr +mp-1520338,NaCeNb2O6,-8.68245694,-2.9686212604,0.1272109805,0.1272109805,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Ce-Na-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Ce-Na-Nb-O +mp-1519099,NaNdMn4O12,-7.3348199783,-1.6626533989,0.295574656,0.295574656,GGA+U,P4/mmm,A4BCD12_tP18_123_i_a_d_efr:Mn-Na-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_tP18_123_i_a_d_2e2fr:Mn-Na-Nd-O, expected NaNdMn4O16 to be NaNdMn4O12" +mp-1517834,NaSrNdMnO6,-6.950418284,-2.2881869101,0.193350719,0.193350719,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Mn-Na-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Mn-Na-Nd-O-Sr +mp-559926,PrMn4(CuO4)3,-7.4942884145,-1.8399458411,0.0257541056,0.0257541056,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Pr,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Pr +mp-1221009,NaPr3Mn4O12,-8.2528267015,-2.6691482884,0.0121492131,0.0121492131,GGA+U,Pm,A4BC12D3_mP20_6_2c_a_2a2b4c_a2b:Mn-Na-O-Pr,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_6_4c_a_2a2b8c_a2b:Mn-Na-O-Pr, expected NaPr3Mn8O20 to be NaPr3Mn4O12" +mp-1193558,Hf9FeMo4,-10.2470626154,-0.1422538354,0.0,-0.0295184735,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:Fe-Hf-Mo,28.0,AB9C4_hP28_194_c_hk_ah:Fe-Hf-Mo +mp-1224453,HfTl2Fe2(MoO4)6,-8.2054255197,-2.0506555919,0.0,-0.0006294428,GGA+U,P-1,A2BC6D24E2_aP35_2_cd_b_3i_12i_i:Fe-Hf-Mo-O-Tl,35.0,"Invalid WP multiplicities - A2BC6D24E2_aP35_2_bd_c_6i_24i_i:Fe-Hf-Mo-O-Tl, expected HfTl2Fe2(MoO4)12 to be HfTl2Fe2(MoO4)6" +mp-645513,HfTl8(MoO4)6,-7.3625546905,-1.9099197179,0.0,-0.0016233898,GGA+U,C2/m,AB6C24D8_mC78_12_a_ij_2i5j_hij:Hf-Mo-O-Tl,39.0,"Invalid WP multiplicities - AB6C24D8_mC78_12_a_2i2j_4i19j_2h2i3j:Hf-Mo-O-Tl, expected HfTl20(MoO7)12 to be HfTl8(MoO4)6" +mp-753856,HfFeO3,-9.596060445,-2.9426051703,0.0626525855,0.0626525855,GGA+U,Pnma,ABC3_oP20_62_c_a_cd:Fe-Hf-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_c_a_3c2d:Fe-Hf-O, expected HfFeO7 to be HfFeO3" +mp-753790,HfFeO3,-9.5625204465,-2.9090651717,0.096192584,0.096192584,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Fe-Hf-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c2d:Fe-Hf-O, expected HfFeO7 to be HfFeO3" +mp-645796,TlFe(MoO4)2,-7.8387797521,-1.8306568965,0.0,-0.0011163711,GGA+U,Pnma,AB2C8D_oP48_62_c_2c_4c2d_c:Fe-Mo-O-Tl,48.0,"Invalid WP multiplicities - AB2C8D_oP48_62_c_5c_15c12d_c:Fe-Mo-O-Tl, expected TlFeMo5O39 to be TlFe(MoO4)2" +mp-1195752,Sr7Cu44As23,-4.2864859478,-0.2411985023,0.0014703328,0.0014703328,GGA,Fm-3m,A23B44C7_cF296_225_acfh_fik_be:As-Cu-Sr,74.0,A23B44C7_cF296_225_acfh_fik_be:As-Cu-Sr +mp-19060,Sr2Mn3(AsO)2,-6.9849692867,-1.4208973961,0.0672357636,0.0672357636,GGA+U,I4/mmm,A2B3C2D2_tI18_139_e_ad_c_e:As-Mn-O-Sr,9.0,A2B3C2D2_tI18_139_e_ad_c_e:As-Mn-O-Sr +mp-4343,Sr(MnAs)2,-6.31453452,-0.4481823505,0.0903263744,0.0903263744,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Mn-Sr,5.0,A2B2C_hP5_164_d_d_a:As-Mn-Sr +mp-10441,Sr(Cu2As)2,-4.2595515686,-0.3446148624,0.0218646029,0.0218646029,GGA,R-3m,A2B4C_hR21_166_c_2c_a:As-Cu-Sr,7.0,"Invalid WP multiplicities - A2B4C_hR21_166_c_4c_a:As-Cu-Sr, expected Sr(Cu4As)2 to be Sr(Cu2As)2" +mp-12557,SrCuAs,-4.288289945,-0.8056837689,0.0,-0.0885509717,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:As-Cu-Sr,6.0,ABC_hP6_194_c_d_a:As-Cu-Sr +mp-4861,Sr(CuAs)2,-4.354299972,-0.5130712513,0.0,-0.0239235524,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Cu-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Cu-Sr +mp-560187,SrCuAs2O7,-6.4924253084,-1.9711745891,0.0280993757,0.0280993757,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Cu-O-Sr,44.0,"Invalid WP multiplicities - A2BC7D_mP44_14_7e_e_27e_e:As-Cu-O-Sr, expected SrCuAs7O27 to be SrCuAs2O7" +mp-1218681,Sr4Mn2CuO9,-7.1038821577,-2.4975440659,0.0,-0.0055111894,GGA+U,P1,AB2C9D4_aP48_1_3a_6a_27a_12a:Cu-Mn-O-Sr,48.0,AB2C9D4_aP48_1_3a_6a_27a_12a:Cu-Mn-O-Sr +mp-530564,Sr14MnAs11,-4.3175843028,-1.0843063761,0.0,-0.0073253047,GGA,Iba2,A11BC14_oI208_45_11c_c_ab13c:As-Mn-Sr,104.0,"Invalid WP multiplicities - A11BC14_oI208_45_42c_c_2a2b50c:As-Mn-Sr, expected Sr52MnAs42 to be Sr14MnAs11" +mp-1218747,Sr2Mn2Cu(AsO)2,-6.4538842256,-1.4523466263,0.0357865333,0.0357865333,GGA+U,I-4m2,A2BC2D2E2_tI18_119_f_a_bc_e_f:As-Cu-Mn-O-Sr,9.0,A2BC2D2E2_tI18_119_f_a_bc_e_f:As-Cu-Mn-O-Sr +mp-1211623,Sr2MnSn2,-2.005569566,2.1064596157,2.6473005704,2.6473005704,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Sn-Sr,5.0,AB2C2_tP5_123_a_g_g:Mn-Sn-Sr +mp-20759,SrMnSn,-5.1823701117,-0.2286765782,0.2220242174,0.2220242174,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Sn-Sr,6.0,ABC_tP6_129_a_c_c:Mn-Sn-Sr +mp-1218522,Sr3Ca(SnO3)4,-6.7624850965,-2.6388534868,0.0102901321,0.0102901321,GGA,Pm,AB12C4D3_mP20_6_a_2a2b4c_2c_a2b:Ca-O-Sn-Sr,20.0,"Invalid WP multiplicities - AB12C4D3_mP20_6_a_2a2b8c_4c_a2b:Ca-O-Sn-Sr, expected Sr3Ca(Sn2O5)4 to be Sr3Ca(SnO3)4" +mp-1518901,SrCa(SnO3)4,-6.31009275,-1.9160013451,0.2668083111,0.2668083111,GGA,Amm2,AB12C4D_oC36_38_a_2cdef_f_b:Ca-O-Sn-Sr,18.0,"Invalid WP multiplicities - AB12C4D_oC36_38_a_3c2d2ef_f_b:Ca-O-Sn-Sr, expected SrCa(Sn2O9)2 to be SrCa(SnO3)4" +mp-20233,CaMnSn,-5.308908205,-0.2498458626,0.182228234,0.182228234,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ca-Mn-Sn,6.0,ABC_tP6_129_c_a_c:Ca-Mn-Sn +mp-1218487,SrCa3(SnO3)4,-6.8079080575,-2.6526658051,0.0173471694,0.0173471694,GGA,Pm,A3B12C4D_mP20_6_a2b_2a2b4c_2c_a:Ca-O-Sn-Sr,20.0,"Invalid WP multiplicities - A3B12C4D_mP20_6_a2b_2a2b8c_4c_a:Ca-O-Sn-Sr, expected SrCa3(Sn2O5)4 to be SrCa3(SnO3)4" +mp-20626,DyTiGe,-6.3977622767,-0.6893267061,0.0,-0.0183638183,GGA,P4/nmm,ABC_tP6_129_c_c_a:Dy-Ge-Ti,6.0,ABC_tP6_129_c_c_a:Dy-Ge-Ti +mp-6228,Na2TiGeO5,-7.0513256178,-2.6183240606,0.0,-0.0190256739,GGA,P4/nmm,AB2C5D_tP18_129_a_e_ci_c:Ge-Na-O-Ti,18.0,AB2C5D_tP18_129_a_e_ci_c:Ge-Na-O-Ti +mp-1012670,Na3Ti2(GeO4)3,-7.1238175036,-2.4744221029,0.0378881462,0.0378881462,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Na-O-Ti,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Na-O-Ti +mp-1232815,Ca3MnCoO6,-7.3347504018,-2.6104535841,0.0,-0.021541076,GGA+U,Cc,A3BCD6_mC44_9_3a_a_a_6a:Ca-Co-Mn-O,22.0,A3BCD6_hR66_167_e_a_b_f:Ca-Co-Mn-O +mp-561610,Ca3MnCoO6,-7.3347347936,-2.6104379759,1.56082e-05,-0.0215254678,GGA+U,R-3c,A3BCD6_hR66_167_e_a_b_f:Ca-Co-Mn-O,22.0,A3BCD6_hR66_167_e_a_b_f:Ca-Co-Mn-O +mp-1042685,CaMn2CoO7,-7.40507368,-1.7628219311,0.2072122542,0.2072122542,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Ca-Co-Mn-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_3e_2e_7e_17e:Ca-Co-Mn-O, expected Ca3Mn7Co2O17 to be CaMn2CoO7" +mp-1234878,CaMn4(CoO6)2,-7.6803207921,-1.7734491514,0.0922070097,0.0922070097,GGA+U,P1,AB2C4D12_aP19_1_a_2a_4a_12a:Ca-Co-Mn-O,19.0,AB2C4D12_aP19_1_a_2a_4a_12a:Ca-Co-Mn-O +mp-1233435,CaMn4(CoO6)2,-7.6833300363,-1.7764583956000002,0.0891977655,0.0891977655,GGA+U,C2,AB2C4D12_mC38_5_a_c_2c_6c:Ca-Co-Mn-O,19.0,"Invalid WP multiplicities - AB2C4D12_mC38_5_a_c_4c_12c:Ca-Co-Mn-O, expected CaMn8(CoO12)2 to be CaMn4(CoO6)2" +mp-1048225,Bi3Se2ClO8,-5.5429477089,-1.2618522307,0.2914770817,0.2914770817,GGA,Pmmn,A3BC8D2_oP28_59_ac_b_2eg_e:Bi-Cl-O-Se,28.0,"Invalid WP multiplicities - A3BC8D2_oP28_59_a2c_b_5e3g_e:Bi-Cl-O-Se, expected Bi5Se2ClO22 to be Bi3Se2ClO8" +mp-1048242,AlBi3Se2ClO8,-5.7067540347,-1.4613598663,0.373103347,0.373103347,GGA,Pmmn,AB3CD8E2_oP30_59_a_ac_b_2eg_e:Al-Bi-Cl-O-Se,30.0,"Invalid WP multiplicities - AB3CD8E2_oP30_59_a_a2c_b_5e3g_e:Al-Bi-Cl-O-Se, expected AlBi5Se2ClO22 to be AlBi3Se2ClO8" +mp-556378,BiSeClO3,-5.4800455575,-1.4758783239,0.0,-0.0265647324,GGA,P2_12_12_1,ABC3D_oP24_19_a_a_3a_a:Bi-Cl-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_19_a_a_10a_a:Bi-Cl-O-Se, expected BiSeClO10 to be BiSeClO3" +mp-556362,BiSeClO3,-5.4729271121,-1.4687598785,0.0071184454,-0.0194462869,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Bi-Cl-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_4c3d_c:Bi-Cl-O-Se, expected BiSeClO10 to be BiSeClO3" +mp-11700,BaCuSb,-4.1403356183,-0.757941335,0.0,-0.0383849592,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Cu-Sb,6.0,ABC_hP6_194_a_c_d:Ba-Cu-Sb +mp-17145,Ba3CuSb2O9,-6.5168614813,-2.3412393233,0.0267972153,0.0267972153,GGA,P6_3mc,A3BC9D2_hP30_186_a2b_b_3c_ab:Ba-Cu-O-Sb,30.0,A3BC9D2_hP30_186_a2b_b_3c_ab:Ba-Cu-O-Sb +mp-1195461,Ba7Al4Sb9,-4.145770958,-0.866964005,0.0,-0.0060771957,GGA,Pmmn,A4B7C9_oP40_59_ef_aeg_a2beg:Al-Ba-Sb,40.0,A4B7C9_oP40_59_ef_aeg_a2beg:Al-Ba-Sb +mp-1080702,Ba(CuSb)2,-4.217544095,-0.5424659430000001,0.0,-0.0328977003,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ba-Cu-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ba-Cu-Sb +mp-1048141,BaAlCu4O7,-5.9900868704,-1.629456222,0.1626442833,0.1626442833,GGA,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Cu-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Cu-O +mp-1360762,Ba3Al2(Sb2O7)3,-6.7172943453,-2.2828397561,0.2606040084,0.2606040084,GGA,C2,A2B3C21D6_mC64_5_c_ac_b10c_3c:Al-Ba-O-Sb,32.0,"Invalid WP multiplicities - A2B3C21D6_mC64_5_c_ac_b20c_6c:Al-Ba-O-Sb, expected Ba3Al2Sb12O41 to be Ba3Al2(Sb2O7)3" +mp-1252320,Ba3Al2(Sb2O7)3,-6.7544308094000005,-2.3199762201,0.2234675443,0.2234675443,GGA,C2,A2B3C21D6_mC64_5_c_ac_b10c_3c:Al-Ba-O-Sb,32.0,"Invalid WP multiplicities - A2B3C21D6_mC64_5_c_ac_b20c_6c:Al-Ba-O-Sb, expected Ba3Al2Sb12O41 to be Ba3Al2(Sb2O7)3" +mp-1042435,Ba2AlCu3O8,-5.9928986564,-1.7461375557,0.2904473217,0.2904473217,GGA,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Cu-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Cu-O, expected Ba2AlCu5O16 to be Ba2AlCu3O8" +mp-1196877,BaAl4(SbO6)2,-7.3843267413,-2.9359296216,0.0,-0.0057879655,GGA,I4/m,A4BC12D2_tI76_87_i_e_2h2i_h:Al-Ba-O-Sb,38.0,A4BC12D2_tI76_87_i_e_2h2i_h:Al-Ba-O-Sb +mp-1042217,BaCuSbO5,-6.0334979813,-1.6734196805,0.3439562865,0.3439562865,GGA,P4mm,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Sb,8.0,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Sb +mp-1042186,BaAlCu2O5,-6.0860956689,-1.7976059282,0.3716809842,0.3716809842,GGA,P4mm,ABC2D5_tP9_99_a_a_2b_b2c:Al-Ba-Cu-O,9.0,ABC2D5_tP9_99_a_a_2b_b2c:Al-Ba-Cu-O +mp-18439,Ba3AlSb3,-4.1228894089,-0.9958173561,0.0,-0.0355329047,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Al-Ba-Sb,28.0,AB3C3_oC56_64_d_fg_fg:Al-Ba-Sb +mp-1042580,Ba2AlSb3O8,-6.2608407014,-2.00769505,0.5362611593000001,0.5362611593000001,GGA,P4/mmm,AB2C8D3_tP14_123_c_h_egi_bg:Al-Ba-O-Sb,14.0,"Invalid WP multiplicities - AB2C8D3_tP14_123_c_h_2e2g2i_b2g:Al-Ba-O-Sb, expected Ba2AlSb5O16 to be Ba2AlSb3O8" +mp-1358157,Ba3Al4(Sb2O7)3,-6.7300024888,-2.3360701795,0.3271153558,0.3271153558,GGA,C2,A4B3C21D6_mC68_5_2c_ac_b10c_3c:Al-Ba-O-Sb,34.0,"Invalid WP multiplicities - A4B3C21D6_mC68_5_3c_a2c_b18c_5c:Al-Ba-O-Sb, expected Ba5Al6Sb10O37 to be Ba3Al4(Sb2O7)3" +mp-1045633,AlCu3(SbO3)4,-5.9780743155,-1.3821010488,0.399608641,0.399608641,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Sb,20.0,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Sb +mp-12885,BaAl2Sb2O7,-7.12753517,-2.7696226651,0.0,-0.0275684906,GGA,R32,A2BC7D2_hR36_155_c_a_bf_c:Al-Ba-O-Sb,12.0,"Invalid WP multiplicities - A2BC7D2_hR36_155_c_a_b2f_c:Al-Ba-O-Sb, expected BaAl2Sb2O13 to be BaAl2Sb2O7" +mp-1266326,BaAlCuSbO5,-6.18187462,-1.8900743715,0.6400197021,0.6400197021,GGA,Cm,ABCD5E_mC18_8_a_a_a_a2b_a:Al-Ba-Cu-O-Sb,9.0,ABCD5E_mC18_8_a_a_a_a2b_a:Al-Ba-Cu-O-Sb +mp-1042194,BaAlCuSbO5,-6.1792026356,-1.8874023871,0.6426916865,0.6426916865,GGA,P4mm,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Sb,9.0,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Sb +mp-1048073,Ba2AlCu3O7,-6.0527912477,-1.8598707324,0.2779266088,0.2779266088,GGA,Pmmm,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Cu-O,13.0,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Cu-O +mp-530714,Ba14AlSb11,-4.0352915237,-1.1110515764,0.0,-0.016412699,GGA,I4_1/acd,AB14C11_tI208_142_a_e3g_bf2g:Al-Ba-Sb,104.0,"Invalid WP multiplicities - AB14C11_tI208_142_a_6e33g_3b6f10g:Al-Ba-Sb, expected Ba144AlSb55 to be Ba14AlSb11" +mp-556373,NaFe(TeO3)2,-6.2511913439,-1.6752622881,0.0,-0.0050959874,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Na-O-Te,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_36c_7c:Fe-Na-O-Te, expected NaFeTe7O36 to be NaFe(TeO3)2" +mp-1220862,Na6Al3Fe3(TeO6)4,-6.470896915,-2.0740045269,0.0016451951,0.0016451951,GGA+U,I-43d,A3B3C6D24E4_cI160_220_a_b_d_2e_c:Al-Fe-Na-O-Te,80.0,"Invalid WP multiplicities - A3B3C6D24E4_cI160_220_a_b_d_4e_c:Al-Fe-Na-O-Te, expected Na6Al3Fe3(TeO12)4 to be Na6Al3Fe3(TeO6)4" +mp-1221220,Na4AlFe3O8,-6.67618663,-2.0499834848,0.0361503161,0.0361503161,GGA+U,P1,AB3C4D8_aP16_1_a_3a_4a_8a:Al-Fe-Na-O,16.0,AB3C4D8_aP16_1_a_3a_4a_8a:Al-Fe-Na-O +mp-1221194,Na4Al3FeO8,-6.6763616056,-2.6407141329,0.0110683677,0.0110683677,GGA+U,P1,A3BC4D8_aP16_1_3a_a_4a_8a:Al-Fe-Na-O,16.0,A3BC4D8_aP16_1_3a_a_4a_8a:Al-Fe-Na-O +mp-684024,Li2SiN2,-6.2908962395,-1.1076655168,0.0,-0.0549772445,GGA,Pbca,A2B2C_oP160_61_8c_8c_4c:Li-N-Si,160.0,"Invalid WP multiplicities - A2B2C_oP160_61_60c_53c_23c:Li-N-Si, expected Li60Si23N53 to be Li2SiN2" +mp-30156,LiMgN,-4.7061466708,-0.7575807236000001,0.0007051925,-0.0570502493,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Mg-N,12.0,ABC_oP12_62_c_c_c:Li-Mg-N +mp-37906,LiMgN,-4.7068518633,-0.7582859161000001,0.0,-0.0577554418,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Mg-N,3.0,ABC_cF12_216_a_b_c:Li-Mg-N +mp-1020016,Li4Ca2Mg(SiN3)2,-6.0562818293,-1.1151633702,0.0,-0.014944809,GGA,C2/m,A2B4CD6E2_mC30_12_g_j_a_ij_i:Ca-Li-Mg-N-Si,15.0,A2B4CD6E2_mC30_12_g_j_a_ij_i:Ca-Li-Mg-N-Si +mp-1199122,Li2Ca(SiN2)2,-6.8216349223,-1.2638503253,0.0,-0.0235314701,GGA,Pa-3,AB2C4D2_cP108_205_ac_d_2d_d:Ca-Li-N-Si,108.0,AB2C4D2_cP108_205_ac_d_2d_d:Ca-Li-N-Si +mp-1020108,LiCaMgSiN3,-6.3088790529,-1.1732211098,0.0039582342,0.0039582342,GGA,C2/m,ABCD3E_mC28_12_g_i_h_ij_i:Ca-Li-Mg-N-Si,14.0,ABCD3E_mC28_12_g_i_h_ij_i:Ca-Li-Mg-N-Si +mp-531773,Li28Mg22N25,-4.6492512844,-0.6883396245000001,0.0326744788,0.0326744788,GGA,R3m,A28B22C25_hR225_160_28a_22a_25a:Li-Mg-N,75.0,A28B22C25_hR225_160_28a_22a_25a:Li-Mg-N +mp-1246397,Ca5MgN4,-5.327717091,-0.830291176,0.1052108826,0.1052108826,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Ca-Mg-N,20.0,A5BC4_oP20_59_ag_b_ef:Ca-Mg-N +mp-865965,Li2CaSi,-3.1135254225,-0.3013345117,0.0,-0.0047776242,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Li-Si,4.0,AB2C_cF16_225_a_c_b:Ca-Li-Si +mp-1247107,Ca2MgN2,-5.338117386,-0.881223454,0.0563861897,0.0563861897,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:Ca-Mg-N,20.0,A2BC2_mP20_14_2e_e_2e:Ca-Mg-N +mp-1246586,Ca2MgN2,-5.117339348,-0.6604454160000001,0.2771642278,0.2771642278,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Ca-Mg-N,5.0,A2BC2_hP5_164_d_a_d:Ca-Mg-N +mp-567219,Li4Ca3(SiN3)2,-6.0982255373,-1.1300857562,0.0,-0.0288845874,GGA,C2/m,A3B4C6D2_mC30_12_ah_j_ij_i:Ca-Li-N-Si,15.0,"Invalid WP multiplicities - A3B4C6D2_mC30_12_ah_j_i2j_i:Ca-Li-N-Si, expected Li4Ca3(SiN5)2 to be Li4Ca3(SiN3)2" +mp-1020056,LiCa3Si2N5,-6.7967638707,-1.3005063078,0.0,-0.0073248463,GGA,C2/c,A3BC5D2_mC88_15_3f_2e_5f_2f:Ca-Li-N-Si,44.0,A3BC5D2_mC88_15_3f_2e_5f_2f:Ca-Li-N-Si +mp-20150,LiCa2Si3,-4.1206093967,-0.4212632772,0.0,-0.0045679,GGA,Pnnm,A2BC3_oP24_58_2g_g_3g:Ca-Li-Si,24.0,A2BC3_oP24_58_2g_g_3g:Ca-Li-Si +mp-5795,CaMg2N2,-5.31765478,-0.941824814,0.0,-0.033679429,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Mg-N,5.0,AB2C2_hP5_164_a_d_d:Ca-Mg-N +mp-685266,LiMg7N5,-5.0037340153,-0.7888603351,0.0749909076,0.0749909076,GGA,P1,AB7C5_aP78_1_6a_42a_30a:Li-Mg-N,78.0,AB7C5_aP78_1_6a_42a_30a:Li-Mg-N +mp-13916,LiCaSi2,-4.0648499662,-0.3735602646,0.0,-0.014033223,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ca-Li-Si,16.0,ABC2_oP16_62_c_c_2c:Ca-Li-Si +mp-1019579,CaMg3SiN4,-6.2299729474,-1.1657798629,0.0,-0.0271325747,GGA,I4_1/a,AB3C4D_tI144_88_f_3f_4f_f:Ca-Mg-N-Si,72.0,AB3C4D_tI144_88_f_3f_4f_f:Ca-Mg-N-Si +mp-1095343,Ca2Mg3Si,-2.5129590733,-0.1400660833,0.1193350396,0.1193350396,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Ca-Mg-Si,12.0,A2B3C_hP12_194_f_h_a:Ca-Mg-Si +mp-5473,CaMgSi,-3.4230661375,-0.4126668175,0.0,-0.0700243565,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Mg-Si,12.0,ABC_oP12_62_c_c_c:Ca-Mg-Si +mp-1245857,Ca7Mg2N6,-5.340218818,-0.8563035640000001,0.079901023,0.079901023,GGA,C2/m,A7B2C6_mC30_12_ahj_i_ij:Ca-Mg-N,15.0,A7B2C6_mC30_12_ahj_i_ij:Ca-Mg-N +mp-686208,Li5SiN3,-5.3133816262,-0.8712241664,0.0,-0.0528355387,GGA,P1,A5B3C_aP144_1_80a_48a_16a:Li-N-Si,144.0,A5B3C_aP144_1_80a_48a_16a:Li-N-Si +mp-1028201,CaMg14Si,-1.8549243838,0.0097530294,0.1044251381,0.1044251381,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Si, expected CaMg18Si to be CaMg14Si" +mp-1028181,CaMg14Si,-1.8249857406,0.0396916725,0.1343637812,0.1343637812,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Si, expected CaMg26Si to be CaMg14Si" +mp-5853,LiSi2N3,-7.6197250483,-1.3248844314,0.0,-0.1052613265,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Li-N-Si,12.0,"Invalid WP multiplicities - AB3C2_oC24_36_a_a2b_b:Li-N-Si, expected LiSi2N5 to be LiSi2N3" +mp-1023336,CaMg6Si,-2.1108859775,0.0181887988,0.1862443018,0.1862443018,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Si, expected CaMg12Si to be CaMg6Si" +mp-1214041,Ca7(Mg3Si7)2,-3.9413119607,-0.2525959652,0.0597719578,0.0597719578,GGA,P6/mmm,A7B6C14_hP27_191_al_m_c2k:Ca-Mg-Si,27.0,A7B6C14_hP27_191_al_m_c2k:Ca-Mg-Si +mp-753442,CrCoO4,-7.6039078742,-1.5125545225,0.0578661408,0.0525435883,GGA+U,Pnma,ABC4_oP24_62_c_c_2cd:Co-Cr-O,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_5c3d:Co-Cr-O, expected CrCoO11 to be CrCoO4" +mp-18788,CrCoO4,-7.661774015,-1.5704206633000002,0.0,-0.0053225525,GGA+U,Cmcm,ABC4_oC24_63_a_c_fg:Co-Cr-O,12.0,ABC4_oC24_63_a_c_fg:Co-Cr-O +mp-1279201,Li3Cr(CoO3)2,-6.8509289746,-1.9112136473,0.0602527854,0.0602527854,GGA+U,P1,A2BC3D6_aP24_1_4a_2a_6a_12a:Co-Cr-Li-O,24.0,A2BC3D6_aP24_1_4a_2a_6a_12a:Co-Cr-Li-O +mp-1277232,Li3Cr(CoO3)2,-6.8528665542,-1.9131512269,0.0583152058,0.0583152058,GGA+U,P1,A2BC3D6_aP24_1_4a_2a_6a_12a:Co-Cr-Li-O,24.0,A2BC3D6_aP24_1_4a_2a_6a_12a:Co-Cr-Li-O +mp-1283691,Li3Cr(CoO3)2,-6.8526184617,-1.9129031344,0.0585632983,0.0585632983,GGA+U,P-1,A2BC3D6_aP24_2_2i_be_3i_6i:Co-Cr-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_2i_be_4i_12i:Co-Cr-Li-O, expected Li4Cr(CoO6)2 to be Li3Cr(CoO3)2" +mp-1275904,Li3Cr(CoO3)2,-6.8531095758,-1.9133942485,0.0580721842,0.0580721842,GGA+U,P-1,A2BC3D6_aP24_2_2i_ah_cf2i_6i:Co-Cr-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_4i_ah_cf3i_11i:Co-Cr-Li-O, expected Li4CrCo4O11 to be Li3Cr(CoO3)2" +mp-1279412,Li3Cr(CoO3)2,-6.8509079804,-1.9111926531,0.0602737796,0.0602737796,GGA+U,P-1,A2BC3D6_aP12_2_i_a_ci_3i:Co-Cr-Li-O,24.0,A2BC3D6_aP12_2_i_a_ci_3i:Co-Cr-Li-O +mp-761831,Li3Cr(CoO3)2,-6.8323004771,-1.8925851498,0.0788812829,0.0788812829,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Co-Cr-Li-O,24.0,A2BC3D6_mC24_12_i_a_di_3i:Co-Cr-Li-O +mp-772115,Li2Cr3(CoO6)2,-7.3588403491,-1.7612672823,0.0023511248,0.0023511248,GGA+U,Pbcn,A2B3C2D12_oP76_60_d_cd_d_6d:Co-Cr-Li-O,76.0,"Invalid WP multiplicities - A2B3C2D12_oP76_60_d_2c2d_d_21d:Co-Cr-Li-O, expected LiCr3CoO21 to be Li2Cr3(CoO6)2" +mp-763359,LiCr2CoO6,-7.66166547,-1.8613186831,0.0926029512,0.0926029512,GGA+U,Cm,AB2CD6_mC20_8_a_2a_a_6a:Co-Cr-Li-O,10.0,AB2CD6_mC20_8_a_2a_a_6a:Co-Cr-Li-O +mp-756763,Li3Cr(CoO2)4,-6.8838666656,-1.6722043569,0.1276496566,0.1276496566,GGA+U,C2/m,A4BC3D8_mC32_12_ade_b_cf_2ij:Co-Cr-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_ace_d_b2f_3i2j:Co-Cr-Li-O, expected Li5Cr(Co2O7)2 to be Li3Cr(CoO2)4" +mp-1662512,Li4Co3Sb5O16,-6.4555857775,-1.8572761192,0.0543845285,0.0543845285,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sb,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sb +mp-1663218,Li4Co3Sb5O16,-6.4547460643,-1.856436406,0.0552242417,0.0552242417,GGA+U,P1,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sb,56.0,A3B4C16D5_aP56_1_6a_8a_32a_10a:Co-Li-O-Sb +mp-1661597,Li4Co3Sb5O16,-6.4586263689,-1.8603167107,0.0513439371,0.0513439371,GGA+U,Pm,A3B4C16D5_mP56_6_ab2c_4a4b_8a8b8c_3a3b2c:Co-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B4C16D5_mP56_6_ab2c_4a4b_8a8b16c_3a3b4c:Co-Li-O-Sb, expected Li4Co3Sb7O24 to be Li4Co3Sb5O16" +mp-770677,Li4Co3Sb5O16,-6.4527659521,-1.8544562939,0.0572043539,0.0572043539,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Co-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_2a2b_4a_8a4b_3ab:Co-Li-O-Sb, expected Li4Co6Sb5O16 to be Li4Co3Sb5O16" +mp-1661499,Li4Co3Sb5O16,-6.4598648473,-1.861555189,0.0501054587,0.0501054587,GGA+U,Cm,A3B4C16D5_mC112_8_2a2b_8a_16a8b_6a2b:Co-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B4C16D5_mC112_8_2a4b_8a_16a16b_6a4b:Co-Li-O-Sb, expected Li4Co5Sb7O24 to be Li4Co3Sb5O16" +mp-773157,Li9Cr12Co7O48,-7.2669351809,-1.7377752053000002,0.0399140559,0.0399140559,GGA+U,P1,A7B12C9D48_aP76_1_7a_12a_9a_48a:Co-Cr-Li-O,76.0,A7B12C9D48_aP76_1_7a_12a_9a_48a:Co-Cr-Li-O +mp-772364,Li9Cr12Co7O48,-7.2672506922,-1.7380907166,0.0395985446,0.0395985446,GGA+U,P1,A7B12C9D48_aP76_1_7a_12a_9a_48a:Co-Cr-Li-O,76.0,A7B12C9D48_aP76_1_7a_12a_9a_48a:Co-Cr-Li-O +mp-1206748,Li2CoSb,-3.88515252,-0.1213613279,0.3748165475,0.3748165475,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Co-Li-Sb,4.0,AB2C_cF16_225_a_c_b:Co-Li-Sb +mp-756950,CrCo5O12,-6.9464679044,-1.1378622944,0.1067093694,0.1067093694,GGA+U,C2/m,A5BC12_mC36_12_agh_d_2i2j:Co-Cr-O,18.0,"Invalid WP multiplicities - A5BC12_mC36_12_a2gh_c_4i5j:Co-Cr-O, expected Cr(CoO4)7 to be CrCo5O12" +mp-1316235,LiCr(CoO3)2,-6.964431725,-1.4185579056,0.2560703889,0.2560703889,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Li-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Li-O +mp-1305214,LiCr(CoO3)2,-7.141851305,-1.5959774856,0.0786508089,0.0786508089,GGA+U,P1,A2BCD6_aP20_1_4a_2a_2a_12a:Co-Cr-Li-O,20.0,A2BCD6_aP20_1_4a_2a_2a_12a:Co-Cr-Li-O +mp-756072,LiCr(CoO3)2,-7.162117304,-1.6162434846,0.0583848099,0.0583848099,GGA+U,C2/m,A2BCD6_mC20_12_i_a_c_3i:Co-Cr-Li-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_5i:Co-Cr-Li-O, expected LiCr(CoO5)2 to be LiCr(CoO3)2" +mp-886491,Li3Co3SbO8,-5.6166666173,-0.8997177563000001,0.9207852442,0.9207852442,GGA+U,P-1,A3B3C8D_aP15_2_bef_adg_4i_c:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_bef_adg_8i_c:Co-Li-O-Sb, expected Li3Co3SbO16 to be Li3Co3SbO8" +mp-772208,Li3Co3SbO8,-6.446988044,-1.730039183,0.0904638175,0.0904638175,GGA+U,P-1,A3B3C8D_aP15_2_bef_adg_4i_c:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_bef_adg_8i_c:Co-Li-O-Sb, expected Li3Co3SbO16 to be Li3Co3SbO8" +mp-1282858,Li3Co3SbO8,-6.443295939,-1.726347078,0.0941559225,0.0941559225,GGA+U,P-1,A3B3C8D_aP30_2_acfhi_bdegi_8i_i:Co-Li-O-Sb,30.0,"Invalid WP multiplicities - A3B3C8D_aP30_2_ab2di_a2dhi_16i_i:Co-Li-O-Sb, expected Li3Co3SbO16 to be Li3Co3SbO8" +mp-1293029,Li3Co3SbO8,-6.4402546797,-1.7233058187,0.0971971818,0.0971971818,GGA+U,P-1,A3B3C8D_aP30_2_abcefh_3i_8i_dg:Co-Li-O-Sb,30.0,"Invalid WP multiplicities - A3B3C8D_aP30_2_abcdgh_3i_12i_ef:Co-Li-O-Sb, expected Li3Co3SbO12 to be Li3Co3SbO8" +mp-1305703,Li3Co3SbO8,-6.4406810427,-1.7237321817,0.0967708188,0.0967708188,GGA+U,P-1,A3B3C8D_aP30_2_ah2i_cdfgi_8i_be:Co-Li-O-Sb,30.0,"Invalid WP multiplicities - A3B3C8D_aP30_2_ah2i_cdfgi_16i_be:Co-Li-O-Sb, expected Li3Co3SbO16 to be Li3Co3SbO8" +mp-1403321,Li3Co3SbO8,-4.677090428,0.039858433,1.8603614335,1.8603614335,GGA+U,P-1,A3B3C8D_aP15_2_abf_ceg_4i_d:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_abf_ceg_8i_d:Co-Li-O-Sb, expected Li3Co3SbO16 to be Li3Co3SbO8" +mp-757171,Li3Co3SbO8,-6.43819258,-1.721243719,0.0992592815,0.0992592815,GGA+U,C2/m,A3B3C8D_mC30_12_be_cf_2ij_a:Co-Li-O-Sb,30.0,A3B3C8D_mC30_12_af_ce_2ij_b:Co-Li-O-Sb +mp-765542,Li3Cr3(CoO6)2,-7.208251972,-1.7951114153,0.0806355095,0.0806355095,GGA+U,P2_1/c,A2B3C3D12_mP80_14_2e_3e_3e_12e:Co-Cr-Li-O,80.0,"Invalid WP multiplicities - A2B3C3D12_mP80_14_3e_11e_9e_43e:Co-Cr-Li-O, expected Li9Cr11Co3O43 to be Li3Cr3(CoO6)2" +mp-771058,Li4Cr3CoO8,-7.43714155,-2.2323502149,0.0127359475,0.0127359475,GGA+U,P-1,AB3C4D8_aP32_2_i_ac2i_4i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_ac4i_6i_13i:Co-Cr-Li-O, expected Li6Cr5CoO13 to be Li4Cr3CoO8" +mp-768691,Li4Cr3CoO8,-7.4376200706,-2.2328287355,0.0122574269,0.0122574269,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_ac6i_16i:Co-Cr-Li-O, expected Li7Cr6CoO16 to be Li4Cr3CoO8" +mp-768741,Li4Cr3CoO8,-7.4375329897,-2.2327416546,0.0123445078,0.0123445078,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_abcg2i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_abcg4i_16i:Co-Cr-Li-O, expected Li6Cr5CoO16 to be Li4Cr3CoO8" +mp-768718,Li4Cr3CoO8,-7.4382404291,-2.233449094,0.0116370684,0.0116370684,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_bc3i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_bc6i_16i:Co-Cr-Li-O, expected Li7Cr5CoO16 to be Li4Cr3CoO8" +mp-768946,Li4Cr3CoO8,-7.4383454875,-2.2335541524,0.01153201,0.01153201,GGA+U,P-1,AB3C4D8_aP16_2_a_bi_2i_4i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP16_2_b_2d2i_2i_4i:Co-Cr-Li-O, expected Li4Cr6CoO8 to be Li4Cr3CoO8" +mp-768934,Li4Cr3CoO8,-7.4382089603,-2.2334176252,0.0116685372,0.0116685372,GGA+U,P-1,AB3C4D8_aP32_2_i_bc2i_4i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_bc3i_7i_16i:Co-Cr-Li-O, expected Li7Cr4CoO16 to be Li4Cr3CoO8" +mp-1305983,Li4Cr3CoO8,-7.4313968231,-2.226605488,0.0184806744,0.0184806744,GGA+U,P-1,AB3C4D8_aP32_2_ah_cf2i_4i_8i:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_af_ac2i_6i_16i:Co-Cr-Li-O, expected Li6Cr3CoO16 to be Li4Cr3CoO8" +mp-754195,Li4Cr3CoO8,-7.4306008956,-2.2258095605,0.0192766019,0.0192766019,GGA+U,P2/m,AB3C4D8_mP16_10_a_bj_ghk_mno:Co-Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mP16_10_a_bj_cfl_m2n3o:Co-Cr-Li-O, expected Li4Cr3CoO18 to be Li4Cr3CoO8" +mp-756252,Li4Cr3CoO8,-7.4289580513,-2.2241667161,0.0209194463,0.0209194463,GGA+U,C2/m,AB3C4D8_mC32_12_a_bh_ei_2ij:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_2b2h_fi_2ij:Co-Cr-Li-O, expected Li4Cr6CoO8 to be Li4Cr3CoO8" +mp-755387,Li4Cr3CoO8,-7.4265212447,-2.2217299096,0.0233562528,0.0233562528,GGA+U,C2/m,AB3C4D8_mC32_12_a_be_hi_2ij:Co-Cr-Li-O,32.0,AB3C4D8_mC32_12_a_be_hi_2ij:Co-Cr-Li-O +mp-1303805,Li4Cr3CoO8,-7.4221609284,-2.2173695933,0.0277165691,0.0277165691,GGA+U,P2_1/c,AB3C4D8_mP32_14_a_ce_2e_4e:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_bc_cd2i_8i_16i:Co-Cr-Li-O, expected Li8Cr3CoO16 to be Li4Cr3CoO8" +mp-1308674,Li4Cr3CoO8,-7.4255104631,-2.220719128,0.0243670344,0.0243670344,GGA+U,C2/c,AB3C4D8_mC64_15_a_b2e_2f_4f:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mC64_15_a_b3e_2f_7f:Co-Cr-Li-O, expected Li4Cr4CoO14 to be Li4Cr3CoO8" +mp-1317623,Li4Cr3CoO8,-7.4271745834,-2.2223832483,0.0227029141,0.0227029141,GGA+U,C2/c,AB3C4D8_mC64_15_c_df_2ef_4f:Co-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mC64_15_c_df_4ef_7f:Co-Cr-Li-O, expected Li6Cr3CoO14 to be Li4Cr3CoO8" +mp-1177445,Li4Cr3CoO8,-7.4286325556,-2.2238412205,0.0212449419,0.0212449419,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Co-Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_hR48_166_a_e_b2d_2c3h:Co-Cr-Li-O, expected Li7Cr3CoO22 to be Li4Cr3CoO8" +mp-756555,Cr3Co5O16,-7.3421325362,-1.3568095877,0.0914177008,0.0914177008,GGA+U,Cm,A5B3C16_mC48_8_3ab_ab_8a4b:Co-Cr-O,24.0,"Invalid WP multiplicities - A5B3C16_mC48_8_3ab_ab_8a6b:Co-Cr-O, expected Cr3(CoO4)5 to be Cr3Co5O16" +mp-756225,Li3Co4SbO8,-6.5955834756,-1.7291740563,0.0205111669,0.0205111669,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Co-Li-O-Sb,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_cf_4i2j_b:Co-Li-O-Sb, expected Li3Co4SbO16 to be Li3Co4SbO8" +mp-759149,Li3CrCo3O8,-6.8627469497,-1.77752834,0.0500806175,0.0500806175,GGA+U,C2/m,A3BC3D8_mC30_12_ae_b_cf_2ij:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_2b2f_a_ce_2ij:Co-Cr-Li-O, expected Li3Cr(Co3O4)2 to be Li3CrCo3O8" +mp-1314550,Li3CrCo3O8,-6.7942430657,-1.709024456,0.1185845015,0.1185845015,GGA+U,C2/m,A3BC3D8_mC60_12_adef_bc_ij_4i2j:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_mC60_12_ac2e2f_bd_ij_6i8j:Co-Cr-Li-O, expected Li3CrCo5O22 to be Li3CrCo3O8" +mp-1318775,Li3CrCo3O8,-6.797878852,-1.7126602423,0.1149487151,0.1149487151,GGA+U,C2/m,A3BC3D8_mC60_12_adef_bc_ij_4i2j:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_mC60_12_ad2e2f_bc_ij_6i8j:Co-Cr-Li-O, expected Li3CrCo5O22 to be Li3CrCo3O8" +mp-1275494,Li3CrCo3O8,-6.7550683553,-1.6698497457,0.1577592118,0.1577592118,GGA+U,C2/c,A3BC3D8_mC60_15_abc_d_ef_4f:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_aP30_2_abcefh_dg_3i_14i:Co-Cr-Li-O, expected Li3CrCo3O14 to be Li3CrCo3O8" +mp-849768,Li3CrCo3O8,-6.8523232673,-1.7671046577,0.0605042998,0.0605042998,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Co-Cr-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_c2h:Co-Cr-Li-O, expected Li3CrCo3O14 to be Li3CrCo3O8" +mp-775869,Li4Cr5SbO12,-7.7135347859,-2.286707759,0.0700740398,0.0700740398,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Cr-Li-O-Sb,44.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2g2h_j_2i2j_c:Cr-Li-O-Sb, expected Li4Cr9SbO12 to be Li4Cr5SbO12" +mp-756128,Li2Cr3CoO8,-7.7052089357,-2.029579248,0.083283019,0.083283019,GGA+U,P1,AB3C2D8_aP28_1_2a_6a_4a_16a:Co-Cr-Li-O,28.0,AB3C2D8_aP28_1_2a_6a_4a_16a:Co-Cr-Li-O +mp-1178061,Li2Cr3CoO8,-7.7167152932,-2.0410856055,0.0717766615,0.0717766615,GGA+U,P1,AB3C2D8_aP56_1_4a_12a_8a_32a:Co-Cr-Li-O,56.0,AB3C2D8_aP56_1_4a_12a_8a_32a:Co-Cr-Li-O +mp-763336,Li2Cr3CoO8,-7.707781925,-2.0321522373,0.0807100298,0.0807100298,GGA+U,C2/m,AB3C2D8_mC28_12_a_be_f_2ij:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_mC28_12_a_be_f_3i2j:Co-Cr-Li-O, expected Li2Cr3CoO14 to be Li2Cr3CoO8" +mp-761675,Li2Cr3CoO8,-7.7170128464,-2.0413831587,0.0714791083,0.0714791083,GGA+U,R3m,AB3C2D8_hR42_160_a_b_2a_2a2b:Co-Cr-Li-O,14.0,AB3C2D8_hR42_160_a_b_2a_2a2b:Co-Cr-Li-O +mp-756414,Li2Cr3CoO8,-7.7329996257,-2.057369938,0.055492329,0.055492329,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2ch:Co-Cr-Li-O, expected Li2Cr3CoO10 to be Li2Cr3CoO8" +mp-759951,Li2Cr3CoO8,-7.7001048077,-2.0244751199,0.0883871471,0.0883871471,GGA+U,P4_332,AB3C2D8_cP56_212_a_d_c_ce:Co-Cr-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_212_a_d_c_8c9e:Co-Cr-Li-O, expected Li2Cr3CoO70 to be Li2Cr3CoO8" +mp-1176846,Li8Cr3SbO12,-6.6700934629,-2.181768833,0.086367061,0.086367061,GGA+U,P1,A3B8C12D_aP24_1_3a_8a_12a_a:Cr-Li-O-Sb,24.0,A3B8C12D_aP24_1_3a_8a_12a_a:Cr-Li-O-Sb +mp-753875,Li8Cr3SbO12,-6.6687001375,-2.1803755076,0.0877603865,0.0877603865,GGA+U,P2,A3B8C12D_mP24_3_abc_2a2b2c2d_6e_d:Cr-Li-O-Sb,24.0,"Invalid WP multiplicities - A3B8C12D_mP24_3_abc_2a2b2c2d_11e_d:Cr-Li-O-Sb, expected Li8Cr3SbO22 to be Li8Cr3SbO12" +mp-1178263,Li2CrCo3O8,-6.9794138391,-1.6673169621,0.0465548195,0.0465548195,GGA+U,P1,A3BC2D8_aP56_1_12a_4a_8a_32a:Co-Cr-Li-O,56.0,A3BC2D8_aP56_1_12a_4a_8a_32a:Co-Cr-Li-O +mp-1309291,Li2CrCo3O8,-6.9254427911,-1.613345914,0.1005258675,0.1005258675,GGA+U,P-1,A3BC2D8_aP28_2_abcefh_i_2i_8i:Co-Cr-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_aP28_2_abcefg_i_3i_14i:Co-Cr-Li-O, expected Li3CrCo3O14 to be Li2CrCo3O8" +mp-762609,Li2CrCo3O8,-6.9903436523,-1.6782467753,0.0356250063,0.0356250063,GGA+U,C2,A3BC2D8_mC112_5_ab5c_abc_4c_16c:Co-Cr-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_hR168_155_3d3e4f_ae_c2f_2c26f:Co-Cr-Li-O, expected Li7Cr2Co21O80 to be Li2CrCo3O8" +mp-752954,Li2CrCo3O8,-6.9829759068,-1.6708790298,0.0429927518,0.0429927518,GGA+U,C2/m,A3BC2D8_mC28_12_ae_b_cd_2ij:Co-Cr-Li-O,28.0,A3BC2D8_mC28_12_ce_d_ab_2ij:Co-Cr-Li-O +mp-1302768,Li2CrCo3O8,-7.0058708157,-1.6937739387,0.0200978429,0.0200978429,GGA+U,C2/m,A3BC2D8_mC56_12_adef_i_2i_4i2j:Co-Cr-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_aP28_2_abcefg_i_3i_14i:Co-Cr-Li-O, expected Li3CrCo3O14 to be Li2CrCo3O8" +mp-1178130,Li2CrCo3O8,-7.0116506595,-1.6995537824,0.0143179991,0.0143179991,GGA+U,R32,A3BC2D8_hR168_155_def_ae_cf_c5f:Co-Cr-Li-O,56.0,A3BC2D8_aP56_1_12a_4a_8a_32a:Co-Cr-Li-O +mp-761748,Li2CrCo3O8,-7.0063708229,-1.6942739458,0.0195978358,0.0195978358,GGA+U,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2c3h:Co-Cr-Li-O, expected Li2CrCo3O22 to be Li2CrCo3O8" +mp-765293,Li2CrCo3O8,-6.9904723525,-1.6783754755,0.0354963061,0.0354963061,GGA+U,P6_3mc,A3BC2D8_hP28_186_c_b_ab_ab2c:Co-Cr-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_hP28_186_c_b_a2b_a2b9c:Co-Cr-Li-O, expected Li3Cr(CoO10)3 to be Li2CrCo3O8" +mp-757991,Li2CrCo3O8,-6.9681243237,-1.6560274467,0.0578443349,0.0578443349,GGA+U,P4_332,A3BC2D8_cP56_212_d_a_c_ce:Co-Cr-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_cP56_212_d_a_c_8c9e:Co-Cr-Li-O, expected Li2CrCo3O70 to be Li2CrCo3O8" +mp-1177495,Li4Co3SbO8,-6.27701144,-1.7355642036,0.1310094928,0.1310094928,GGA+U,C2/m,A3B4C8D_mC32_12_af_cde_2ij_b:Co-Li-O-Sb,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_ae_cdf_4i2j_b:Co-Li-O-Sb, expected Li4Co3SbO16 to be Li4Co3SbO8" +mp-758153,Li4Cr3Co3(SbO8)2,-7.2054380082,-2.0152662539,0.0255323893,0.0255323893,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-Sb, expected Li4Cr3Co3(SbO10)2 to be Li4Cr3Co3(SbO8)2" +mp-754343,Li3Co2SbO6,-6.2495121142,-1.7701339727,0.1344407396,0.1344407396,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Co-Li-O-Sb,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Co-Li-O-Sb, expected Li3Co2SbO10 to be Li3Co2SbO6" +mp-758629,LiCrCo3O8,-7.0883307958,-1.5144513026,0.0257917553,0.0257917553,GGA+U,R-3m,A3BCD8_hR39_166_d_b_a_ch:Co-Cr-Li-O,26.0,A3BCD8_hR39_166_d_b_a_ch:Co-Cr-Li-O +mp-771036,Li5Co5(SbO6)2,-6.431192895,-1.7351732982,0.0771545452,0.0771545452,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Co-Li-O-Sb,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Co-Li-O-Sb, expected Li9Co5(SbO6)2 to be Li5Co5(SbO6)2" +mp-877888,Li3Cr3CoO8,-6.002662479,-0.5781465793,1.6052350986,1.6052350986,GGA+U,P-1,AB3C3D8_aP30_2_i_3i_ac2i_8i:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_aP30_2_i_6i_ac4i_16i:Co-Cr-Li-O, expected Li5Cr6CoO16 to be Li3Cr3CoO8" +mp-756512,Li3Cr3CoO8,-7.5540951843,-2.1295792847,0.0538023932,0.0538023932,GGA+U,P-1,AB3C3D8_aP30_2_i_3i_ac2i_8i:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_aP30_2_i_6i_ac4i_16i:Co-Cr-Li-O, expected Li5Cr6CoO16 to be Li3Cr3CoO8" +mp-1346704,Li3Cr3CoO8,-6.465434465,-1.0409185653,1.1424631126,1.1424631126,GGA+U,P-1,AB3C3D8_aP30_2_i_3i_ac2i_8i:Co-Cr-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_aP30_2_i_6i_ac4i_16i:Co-Cr-Li-O, expected Li5Cr6CoO16 to be Li3Cr3CoO8" +mp-763184,Li3Cr3CoO8,-7.508866052,-2.0843501523,0.0990315256,0.0990315256,GGA+U,C2/m,AB3C3D8_mC30_12_b_ae_cf_2ij:Co-Cr-Li-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_b_a2e_cf_4ij:Co-Cr-Li-O, expected Li3Cr5CoO12 to be Li3Cr3CoO8" +mp-759061,Li3Cr3CoO8,-7.58281454,-2.1582986403,0.0250830376,0.0250830376,GGA+U,R-3m,AB3C3D8_hR45_166_a_e_d_ch:Co-Cr-Li-O,30.0,AB3C3D8_hR45_166_a_e_d_ch:Co-Cr-Li-O +mp-801858,Li2CrCoO4,-6.8818993081,-1.8361535777,0.2447607469,0.2447607469,GGA+U,P1,ABC2D4_aP16_1_2a_2a_4a_8a:Co-Cr-Li-O,16.0,ABC2D4_aP16_1_2a_2a_4a_8a:Co-Cr-Li-O +mp-752940,Li2CrCoO4,-7.044801295,-1.9990555646,0.08185876,0.08185876,GGA+U,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Co-Cr-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_mP8_10_b_g_ce_2mn:Co-Cr-Li-O, expected Li2CrCoO6 to be Li2CrCoO4" +mp-1275616,Li2CrCoO4,-7.0779045862,-2.0321588558,0.0487554688,0.0487554688,GGA+U,C2/c,ABC2D4_mC32_15_a_c_bd_2f:Co-Cr-Li-O,16.0,ABC2D4_mC32_15_a_c_bd_2f:Co-Cr-Li-O +mp-757085,Li2CrCoO4,-7.0517164844,-2.005970754,0.0749435706,0.0749435706,GGA+U,Imma,ABC2D4_oI32_74_a_c_bd_hi:Co-Cr-Li-O,16.0,ABC2D4_oI32_74_a_c_bd_hi:Co-Cr-Li-O +mp-754115,Li2CrCoO4,-7.0232893763,-1.9775436458,0.1033706788,0.1033706788,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Co-Cr-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_119_a_c_bd_2e2f:Co-Cr-Li-O, expected Li2CrCoO8 to be Li2CrCoO4" +mp-752462,Cr(CoO3)2,-7.2712094533,-1.3212299725,0.0862661911,0.0862661911,GGA+U,C2/m,A2BC6_mC18_12_i_a_3i:Co-Cr-O,9.0,"Invalid WP multiplicities - A2BC6_mC18_12_i_a_6i:Co-Cr-O, expected Cr(CoO6)2 to be Cr(CoO3)2" +mp-755124,Cr(CoO3)2,-7.2677284044,-1.3177489236,0.08974724,0.08974724,GGA+U,Cmce,A2BC6_oC36_64_d_a_fg:Co-Cr-O,18.0,"Invalid WP multiplicities - A2BC6_oC36_64_d_a_2f3g:Co-Cr-O, expected Cr(CoO8)2 to be Cr(CoO3)2" +mp-771079,Li4CrCo5O12,-6.7614476573,-1.6618752733000002,0.0660688237,0.0660688237,GGA+U,C2/m,A5BC4D12_mC44_12_agh_d_j_2i2j:Co-Cr-Li-O,22.0,"Invalid WP multiplicities - A5BC4D12_mC44_12_a2gh_c_j_4i5j:Co-Cr-Li-O, expected Li4Cr(CoO4)7 to be Li4CrCo5O12" +mp-1638651,Li2Cr(CoO3)2,-6.9182842118,-1.7030422972,0.1518533179,0.1518533179,GGA+U,P2_1,A2BC2D6_mP22_4_2a_a_2a_6a:Co-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_4_3a_a_2a_10a:Co-Cr-Li-O, expected Li2CrCo3O10 to be Li2Cr(CoO3)2" +mp-1643671,Li2Cr(CoO3)2,-6.9676708159,-1.7524289013,0.1024667138,0.1024667138,GGA+U,C222_1,A2BC2D6_oC44_20_2a_a_2b_3c:Co-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oC44_20_4a_a_2b_6c:Co-Cr-Li-O, expected Li2Cr(CoO3)4 to be Li2Cr(CoO3)2" +mp-757009,Li2Cr(CoO3)2,-6.9921306995,-1.7768887849,0.0780068302,0.0780068302,GGA+U,Cmce,A2BC2D6_oC44_64_d_a_e_fg:Co-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oC44_64_d_a_e_2f2g:Co-Cr-Li-O, expected Li2Cr(CoO6)2 to be Li2Cr(CoO3)2" +mp-764773,Li4Cr3Co2Sb3O16,-7.1292329021,-2.0454653105,0.0670023754,0.0670023754,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Cr-Li-O-Sb,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Cr-Li-O-Sb, expected Li4Cr3Co2Sb3O20 to be Li4Cr3Co2Sb3O16" +mp-771118,Li4Co5Sb3O16,-6.5595225596,-1.748404576,0.078066355,0.078066355,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Co-Li-O-Sb,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Co-Li-O-Sb, expected Li4Co5Sb3O20 to be Li4Co5Sb3O16" +mp-753037,Li2Cr3(CoO4)3,-7.4253268845,-1.7522165813,0.062058383,0.062058383,GGA+U,P-1,A3B3C2D12_aP20_2_ai_di_i_6i:Co-Cr-Li-O,20.0,"Invalid WP multiplicities - A3B3C2D12_aP20_2_a2i_d2i_i_11i:Co-Cr-Li-O, expected Li2Cr5Co5O22 to be Li2Cr3(CoO4)3" +mp-1641878,Li5Co3(SbO5)2,-6.278915696,-1.8491928305,0.0685972304,0.0685972304,GGA+U,P1,A3B5C10D2_aP20_1_3a_5a_10a_2a:Co-Li-O-Sb,40.0,"Invalid WP multiplicities - A3B5C10D2_aP20_1_6a_5a_10a_2a:Co-Li-O-Sb, expected Li5Co6(SbO5)2 to be Li5Co3(SbO5)2" +mp-755267,Li5Co3(SbO5)2,-6.2808107028,-1.8510878372,0.0667022237,0.0667022237,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Co-Li-O-Sb,40.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_2b2i_d2i_5i_i:Co-Li-O-Sb, expected Li5Co6(SbO5)2 to be Li5Co3(SbO5)2" +mp-1340716,Li5Co3(SbO5)2,-4.6192753490000005,-0.1895524835,1.7282375774,1.7282375774,GGA+U,P-1,A3B5C10D2_aP20_2_bi_c2i_5i_i:Co-Li-O-Sb,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_c4i_9i_i:Co-Li-O-Sb, expected Li9Co3(SbO9)2 to be Li5Co3(SbO5)2" +mp-759210,Li2Cr2CoO6,-7.4807091464,-2.0341281704,0.067116663,0.067116663,GGA+U,P-1,AB2C2D6_aP33_2_ai_3i_3i_9i:Co-Cr-Li-O,33.0,"Invalid WP multiplicities - AB2C2D6_aP33_2_ai_4i_5i_18i:Co-Cr-Li-O, expected Li10Cr8(CoO12)3 to be Li2Cr2CoO6" +mp-1272899,Li2Cr2CoO6,-7.4687218409,-2.0221408649,0.0791039685,0.0791039685,GGA+U,P-1,AB2C2D6_aP11_2_a_i_i_3i:Co-Cr-Li-O,11.0,"Invalid WP multiplicities - AB2C2D6_aP11_2_a_i_i_5i:Co-Cr-Li-O, expected Li2Cr2CoO10 to be Li2Cr2CoO6" +mp-758963,Li2Cr2CoO6,-7.503685263599999,-2.0571042877,0.0441405458,0.0441405458,GGA+U,C2/m,AB2C2D6_mC22_12_a_i_i_3i:Co-Cr-Li-O,22.0,AB2C2D6_mC22_12_a_i_i_3i:Co-Cr-Li-O +mp-753885,Li4Cr2Co3Sb3O16,-6.9135937279,-1.9207093389,0.0964260954,0.0964260954,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Cr-Li-O-Sb,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Cr-Li-O-Sb +mp-753507,CrCo3O8,-7.1359814533,-1.2566889079,0.0693450058,0.0693450058,GGA+U,R-3m,A3BC8_hR36_166_d_b_ch:Co-Cr-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_b_c2h:Co-Cr-O, expected CrCo3O14 to be CrCo3O8" +mp-754623,CrCo3O8,-7.1018676192,-1.2225750738,0.10345884,0.10345884,GGA+U,R-3m,A3BC8_hR36_166_d_a_ch:Co-Cr-O,12.0,"Invalid WP multiplicities - A3BC8_hR36_166_d_a_2ch:Co-Cr-O, expected CrCo3O10 to be CrCo3O8" +mp-861562,CrCo3O8,-7.1401236033,-1.2608310579,0.0652028558,0.0652028558,GGA+U,P6_3mc,A3BC8_hP24_186_c_b_ab2c:Co-Cr-O,24.0,"Invalid WP multiplicities - A3BC8_hP24_186_c_b_a2b9c:Co-Cr-O, expected Cr(CoO10)3 to be CrCo3O8" +mp-757593,Li4Co5SbO12,-6.5258494295,-1.6773700561,0.0766204725,0.0766204725,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Co-Li-O-Sb,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Co-Li-O-Sb, expected Li4Co7SbO28 to be Li4Co5SbO12" +mp-771854,Li4Cr5Co3O16,-7.5242786864,-1.9395322014,0.0735824443,0.0735824443,GGA+U,P1,A3B5C4D16_aP28_1_3a_5a_4a_16a:Co-Cr-Li-O,28.0,A3B5C4D16_aP28_1_3a_5a_4a_16a:Co-Cr-Li-O +mp-756547,Li4Cr5Co3O16,-7.5181671729,-1.9334206878,0.0796939579,0.0796939579,GGA+U,Cm,A3B5C4D16_mC56_8_ab_3ab_4a_8a4b:Co-Cr-Li-O,28.0,"Invalid WP multiplicities - A3B5C4D16_mC56_8_ab_3a2b_4a_8a6b:Co-Cr-Li-O, expected Li4Cr7Co3O20 to be Li4Cr5Co3O16" +mp-1308819,Li3Cr2(CoO4)2,-7.148034154,-1.8931668993,0.1150981516,0.1150981516,GGA+U,P-1,A2B2C3D8_aP15_2_cf_ab_deg_4i:Co-Cr-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_aP15_2_cf_ab_deg_5i:Co-Cr-Li-O, expected Li3Cr2(CoO5)2 to be Li3Cr2(CoO4)2" +mp-763114,Li3Cr2(CoO4)2,-7.140511386,-1.8856441313,0.1226209196,0.1226209196,GGA+U,C2/m,A2B2C3D8_mC30_12_e_ac_bf_2ij:Co-Cr-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_mC30_12_f_ac_b2e_3i4j:Co-Cr-Li-O, expected Li5Cr2(CoO11)2 to be Li3Cr2(CoO4)2" +mp-1178030,Li2Cr3SbO8,-7.7853288889,-2.3225075265,0.0042878714,-0.0318950198,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-Sb,28.0,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-Sb +mp-771704,Li2Cr3SbO8,-7.7820952346,-2.3192738723,0.0075215257,-0.0286613655,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-Sb,28.0,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-Sb +mp-775393,Li2Cr3SbO8,-7.7896167604,-2.326795398,0.0,-0.0361828912,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Cr-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Cr-Li-O-Sb, expected Li2Cr3SbO70 to be Li2Cr3SbO8" +mp-1018082,CrCo2Sb,-7.00806968,-0.008398605,0.1203814712,0.1203814712,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Cr-Sb,4.0,A2BC_cF16_225_c_a_b:Co-Cr-Sb +mp-1236276,LiCo5SbO8,-6.8033274433,-1.3931259252,0.1780149988,0.1780149988,GGA+U,Cm,A5BC8D_mC30_8_3ab_a_4a2b_a:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A5BC8D_mC30_8_3ab_a_4a3b_a:Co-Li-O-Sb, expected LiCo5SbO10 to be LiCo5SbO8" +mp-1236052,LiCo5SbO8,-6.8398425887,-1.4296410706,0.1414998535,0.1414998535,GGA+U,C2/m,A5BC8D_mC30_12_cei_b_2ij_a:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A5BC8D_mC30_12_ce2i_b_3i3j_a:Co-Li-O-Sb, expected LiCo7SbO18 to be LiCo5SbO8" +mp-1235263,LiCo5SbO8,-6.6596946707,-1.2494931526,0.3216477715,0.3216477715,GGA+U,R3m,A5BC8D_hR45_160_2ab_a_2a2b_a:Co-Li-O-Sb,15.0,A5BC8D_hR45_160_2ab_a_2a2b_a:Co-Li-O-Sb +mp-1236250,LiCo5SbO8,-6.8526983133,-1.4424967952,0.1286441288,0.1286441288,GGA+U,R-3m,A5BC8D_hR45_166_cd_b_ch_a:Co-Li-O-Sb,15.0,"Invalid WP multiplicities - A5BC8D_hR45_166_2cd_b_c2h_a:Co-Li-O-Sb, expected LiCo7SbO14 to be LiCo5SbO8" +mp-757879,Cr3Co3(SbO8)2,-7.3603270029,-1.623280434,0.1000342898,0.1000342898,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Cr-O-Sb,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Cr-O-Sb +mp-773085,LiCoSbO4,-6.6028537946,-1.8981399737,0.0,-0.0126133255,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Li-O-Sb,28.0,ABC4D_oI28_74_a_e_hi_c:Co-Li-O-Sb +mp-757813,LiCoSbO4,-6.5879768404,-1.8832630194,0.0148769543,0.0022636288,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Sb,28.0,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-Sb +mp-756706,Li4CrCo3O8,-6.6806675956,-1.7939674699,0.1227750169,0.1227750169,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Co-Cr-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_ae_2c3h:Co-Cr-Li-O, expected Li4CrCo3O22 to be Li4CrCo3O8" +mp-1666930,Li5Cr2Co3O10,-6.9067399745,-1.924612486,0.0906331035,0.0906331035,GGA+U,P1,A3B2C5D10_aP40_1_6a_4a_10a_20a:Co-Cr-Li-O,40.0,A3B2C5D10_aP40_1_6a_4a_10a_20a:Co-Cr-Li-O +mp-756240,Li5Cr2Co3O10,-6.9050634162,-1.9229359277,0.0923096618,0.0923096618,GGA+U,P-1,A3B2C5D10_aP20_2_bi_i_d2i_5i:Co-Cr-Li-O,40.0,"Invalid WP multiplicities - A3B2C5D10_aP20_2_2b2i_i_d2i_5i:Co-Cr-Li-O, expected Li5Cr2(Co3O5)2 to be Li5Cr2Co3O10" +mp-861261,Cr3(CoO6)2,-7.4938213529,-1.4622894391,0.0193318694,0.0193318694,GGA+U,P2_1/c,A2B3C12_mP68_14_2e_3e_12e:Co-Cr-O,68.0,"Invalid WP multiplicities - A2B3C12_mP68_14_3e_11e_43e:Co-Cr-O, expected Cr11Co3O43 to be Cr3(CoO6)2" +mp-772720,Cr3(CoO6)2,-7.4412270504,-1.4096951366,0.0719261719,0.0719261719,GGA+U,Pbcn,A2B3C12_oP68_60_d_cd_6d:Co-Cr-O,68.0,"Invalid WP multiplicities - A2B3C12_oP68_60_d_2c2d_21d:Co-Cr-O, expected Cr3CoO21 to be Cr3(CoO6)2" +mp-20758,Cr2CoO4,-8.7368901343,-2.1367233371,0.0,-0.0786105889,GGA+U,Fd-3m,AB2C4_cF56_227_a_d_e:Co-Cr-O,14.0,AB2C4_cF56_227_a_d_e:Co-Cr-O +mp-756713,Li5Cr2Co5O12,-6.8001045325,-1.6437477499000002,0.249793034,0.249793034,GGA+U,C2,A5B2C5D12_mC48_5_a2bc_ab_a2c_6c:Co-Cr-Li-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a2bc_ab_a4c_6c:Co-Cr-Li-O, expected Li9Cr2Co5O12 to be Li5Cr2Co5O12" +mp-773191,Li6Cr3Sb3O16,-6.8405814711,-2.1281992314,0.0787051941,0.0787051941,GGA+U,Cm,A3B6C16D3_mC56_8_ab_6a_8a4b_ab:Cr-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B6C16D3_mC56_8_ab_6a_8a6b_ab:Cr-Li-O-Sb, expected Li6Cr3Sb3O20 to be Li6Cr3Sb3O16" +mp-761676,Li2Co3SbO8,-6.6628659686,-1.7453438223000002,0.0094580661,-0.0322541647,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Li-O-Sb,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Li-O-Sb, expected Li2Co3SbO22 to be Li2Co3SbO8" +mp-757930,Li2Co3SbO8,-6.6442257393,-1.726703593,0.0280982954,-0.0136139354,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Co-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Co-Li-O-Sb, expected Li3Co3SbO30 to be Li2Co3SbO8" +mp-757613,Li2Co3SbO8,-6.6723240346,-1.7548018883,0.0,-0.0417122308,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Co-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Co-Li-O-Sb, expected Li2Co3SbO70 to be Li2Co3SbO8" +mp-753039,Li4Cr3(CoO4)3,-7.2669485973,-1.936037152,0.0458099812,0.0458099812,GGA+U,P-1,A3B3C4D12_aP22_2_ai_di_cei_6i:Co-Cr-Li-O,22.0,"Invalid WP multiplicities - A3B3C4D12_aP22_2_ai_di_cei_12i:Co-Cr-Li-O, expected Li4Cr3(CoO8)3 to be Li4Cr3(CoO4)3" +mp-1312869,LiCrCoO4,-7.3690638643,-1.8752005819,0.0381664424,0.0381664424,GGA+U,P-1,ABCD4_aP14_2_ab_cf_i_4i:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - ABCD4_aP14_2_ab_cf_i_6i:Co-Cr-Li-O, expected LiCrCoO6 to be LiCrCoO4" +mp-1308550,LiCrCoO4,-7.336881385,-1.8430181026,0.0703489217,0.0703489217,GGA+U,C2/m,ABCD4_mC28_12_ac_e_i_2ij:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_ad_e_i_3ij:Co-Cr-Li-O, expected LiCrCoO5 to be LiCrCoO4" +mp-1306460,LiCrCoO4,-7.3248035821,-1.8309402998,0.0824267245,0.0824267245,GGA+U,C2/c,ABCD4_mC28_15_a_c_e_2f:Co-Cr-Li-O,14.0,ABCD4_mC28_15_c_a_e_2f:Co-Cr-Li-O +mp-762011,LiCrCoO4,-7.3804263121,-1.8865630298,0.0268039945,0.0268039945,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Co-Cr-Li-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2hi:Co-Cr-Li-O, expected LiCrCoO6 to be LiCrCoO4" +mp-753687,Li3Cr2CoO6,-7.3170538383,-2.1652777048,0.0250845117,0.0250845117,GGA+U,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Co-Cr-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_d2i_6i:Co-Cr-Li-O, expected Li5Cr2CoO12 to be Li3Cr2CoO6" +mp-1226307,CrCo4SbO8,-7.5199808364,-1.6779215807,0.0097173525,0.0097173525,GGA+U,C2/m,A4BC8D_mC28_12_ei_a_2ij_c:Co-Cr-O-Sb,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_ei_c_4i2j_b:Co-Cr-O-Sb, expected CrCo4SbO16 to be CrCo4SbO8" +mp-1661766,Li4Ti3Co2Sn3O16,-7.3263948932,-2.4437328199,0.0780921358,0.0780921358,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Sn-Ti,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Sn-Ti +mp-774375,Li4Ti3Co2Sn3O16,-7.317390035,-2.4347279617,0.0870969941,0.0870969941,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Co-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A2B4C16D3E3_mC56_8_2a_4a_8a6b_ab_ab:Co-Li-O-Sn-Ti, expected Li4Ti3Co2Sn3O20 to be Li4Ti3Co2Sn3O16" +mp-1663956,Li4Ti2Co3Sn3O16,-7.0589575275,-2.2044088193,0.0862345322,0.0862345322,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Co-Li-O-Sn-Ti,56.0,"Invalid WP multiplicities - A3B4C16D3E2_aP28_1_6a_4a_16a_3a_2a:Co-Li-O-Sn-Ti, expected Li4Ti2Co6Sn3O16 to be Li4Ti2Co3Sn3O16" +mp-774845,Li4Ti2Co3Sn3O16,-7.0646076411,-2.2100589329,0.0805844186,0.0805844186,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Co-Li-O-Sn-Ti, expected Li4Ti2Co3Sn3O20 to be Li4Ti2Co3Sn3O16" +mp-754822,Li4Ti3Sn5O16,-7.1249536964,-2.4636306189,0.1009993847,0.1009993847,GGA,Cm,A4B16C5D3_mC56_8_4a_8a4b_3ab_ab:Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B16C5D3_mC56_8_4a_8a6b_3ab_ab:Li-O-Sn-Ti, expected Li4Ti3(SnO4)5 to be Li4Ti3Sn5O16" +mp-771832,Li2Ti3SnO8,-7.9876440282,-2.9099723619,0.1028759454,0.1028759454,GGA,P6_3mc,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A2B8CD3_hP28_186_a2b_a2b9c_b_c:Li-O-Sn-Ti, expected Li3Ti3SnO30 to be Li2Ti3SnO8" +mp-779116,Li2Ti3SnO8,-8.0264950068,-2.9488233405,0.0640249668,0.0640249668,GGA,P2_13,A2B8CD3_cP56_198_2a_2a2b_a_b:Li-O-Sn-Ti,56.0,"Invalid WP multiplicities - A2B8CD3_cP56_198_5a_8a13b_a_b:Li-O-Sn-Ti, expected Li5Ti3SnO47 to be Li2Ti3SnO8" +mp-777668,Li4Ti3Co3(SnO8)2,-7.3807943043,-2.3874627332,0.0576033371,0.0576033371,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Co-Li-O-Sn-Ti, expected Li4Ti3Co3(SnO10)2 to be Li4Ti3Co3(SnO8)2" +mp-12881,Ba3NbGa3(SiO7)2,-7.5936373413,-3.0263853437,0.0,-0.0154773625,GGA,P321,A3B3CD14E2_hP23_150_e_f_a_d2g_d:Ba-Ga-Nb-O-Si,23.0,"Invalid WP multiplicities - A3B3CD14E2_hP23_150_e_f_a_d3g_d:Ba-Ga-Nb-O-Si, expected Ba3NbGa3(SiO10)2 to be Ba3NbGa3(SiO7)2" +mp-560469,Ba6Nb14Si4O47,-8.9327995823,-3.1986057549,0.0,-0.0048195857,GGA,P6_3cm,A6B14C47D4_hP142_185_2c_b4c_b7c4d_2b:Ba-Nb-O-Si,142.0,"Invalid WP multiplicities - A6B14C47D4_hP142_185_8c_4b17c_4b38c44d_5b:Ba-Nb-O-Si, expected Ba24Nb59(Si5O193)2 to be Ba6Nb14Si4O47" +mp-6759,BaGa2(SiO4)2,-7.4729222937,-2.9806674679,0.0,-0.0390572592,GGA,C2/c,AB2C8D2_mC104_15_f_2f_8f_2f:Ba-Ga-O-Si,52.0,AB2C8D2_mC104_15_f_2f_8f_2f:Ba-Ga-O-Si +mp-6101,Ba3Nb6(Si2O13)2,-8.8002212751,-3.2443255399,0.0,-0.0187888029,GGA,P-62m,A3B6C26D4_hP39_189_f_i_dfgil_h:Ba-Nb-O-Si,39.0,"Invalid WP multiplicities - A3B6C26D4_hP39_189_f_i_dfgi2l_h:Ba-Nb-O-Si, expected Ba3Nb6(Si2O19)2 to be Ba3Nb6(Si2O13)2" +mp-555764,BaNb10SiO19,-9.4000438456,-2.8728042042,0.0,-0.0032294544,GGA,P6_3,AB10C19D_hP62_173_b_b3c_a6c_a:Ba-Nb-O-Si,62.0,"Invalid WP multiplicities - AB10C19D_hP62_173_b_2b14c_2a29c_a:Ba-Nb-O-Si, expected BaNb44SiO89 to be BaNb10SiO19" +mp-1193750,NaMn2(SiO3)3,-8.119756033,-2.7569088084,0.0422283886,0.0422283886,GGA+U,P-1,A2BC9D3_aP30_2_2i_i_9i_3i:Mn-Na-O-Si,30.0,A2BC9D3_aP30_2_2i_i_9i_3i:Mn-Na-O-Si +mp-1210357,Na5Mn4(SiO3)6,-7.6340268597,-2.6384816288,0.0794829236,0.0794829236,GGA+U,Pmn2_1,A4B5C18D6_oP66_31_4a_a2b_4a7b_2a2b:Mn-Na-O-Si,66.0,A4B5C18D6_oP66_31_4a_a2b_4a7b_2a2b:Mn-Na-O-Si +mp-540871,Na2Mn2Si2O7,-7.7555308048,-2.6442586348,0.0,-0.000837386,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Mn-Na-O-Si,52.0,A2B2C7D2_mP52_14_2e_2e_7e_2e:Mn-Na-O-Si +mp-1204505,Na2InSiO5,-6.1025354497,-2.1519247938,0.2029474592,0.2029474592,GGA,Pnma,AB2C5D_oP36_62_c_d_3cd_c:In-Na-O-Si,36.0,AB2C5D_oP36_62_c_d_3cd_c:In-Na-O-Si +mp-19349,NaMn(SiO3)2,-7.8879680585,-2.7864371672,0.0076973677,0.0076973677,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Mn-Na-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Mn-Na-O-Si +mp-1221917,Na13Mn5(SiO3)12,-7.3703338171,-2.7311290408,0.0198184581,0.0198184581,GGA+U,Pm,A5B13C36D12_mP66_6_2a3b_3a2b4c_4a4b14c_2a2b4c:Mn-Na-O-Si,66.0,A5B13C36D12_mP66_6_2a3b_3a2b4c_4a4b14c_2a2b4c:Mn-Na-O-Si +mp-1221423,Na2Mn(SiO3)2,-7.4872691236,-2.7292841958,0.0214430666,0.0214430666,GGA+U,Pmn2_1,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Mn-Na-O-Si,66.0,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Mn-Na-O-Si +mp-1201570,Na2Mn(SiO3)2,-7.4866775355,-2.7286926076,0.0220346548,0.0220346548,GGA+U,Pnnm,AB2C6D2_oP66_58_ag_bch_f2g3h_gh:Mn-Na-O-Si,66.0,AB2C6D2_oP66_58_ag_bch_f2g3h_gh:Mn-Na-O-Si +mp-1180382,Na2MnInSi2O9,-6.9366319283,-2.274659657,0.1796734306,0.1796734306,GGA+U,Cmc2_1,ABC2D9E2_oC60_36_a_a_b_a4b_b:In-Mn-Na-O-Si,30.0,ABC2D9E2_oC60_36_a_a_b_a4b_b:In-Mn-Na-O-Si +mp-6333,NaIn(SiO3)2,-7.2612772465,-2.8007795114,0.0,-0.0138813164,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:In-Na-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_8f_f:In-Na-O-Si, expected NaIn(SiO8)2 to be NaIn(SiO3)2" +mp-560549,AuSeClO3,-4.8260040663,-0.9162713543,0.0,-0.0206335319,GGA,P-1,ABC3D_aP24_2_abi_2i_6i_2i:Au-Cl-O-Se,24.0,"Invalid WP multiplicities - ABC3D_aP24_2_ab2i_2i_12i_3i:Au-Cl-O-Se, expected Au3Se3(ClO6)2 to be AuSeClO3" +mp-1232974,LiAu4Se4(ClO3)4,-4.7956878372,-0.9659875191,0.0640477672,0.0640477672,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1235050,LiAu4Se4(ClO3)4,-4.8124135604,-0.9827132423,0.047322044,0.047322044,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1235220,LiAu4Se4(ClO3)4,-4.8104562584,-0.9807559403,0.049279346,0.049279346,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1235291,LiAu4Se4(ClO3)4,-4.8135227756,-0.9838224575,0.0462128288,0.0462128288,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1235328,LiAu4Se4(ClO3)4,-4.8095943268,-0.9798940087,0.0501412776,0.0501412776,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1235582,LiAu4Se4(ClO3)4,-4.8101719652,-0.9804716471,0.0495636392,0.0495636392,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1236013,LiAu4Se4(ClO3)4,-4.8152803732,-0.9855800551,0.0444552312,0.0444552312,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-1236160,LiAu4Se4(ClO3)4,-4.8036458372,-0.9739455191,0.0560897672,0.0560897672,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Li-O-Se +mp-28372,AuSeCl7,-2.9900086808,-0.80005867,0.0,-0.0163085897,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Au-Cl-Se,36.0,AB7C_mP36_14_e_7e_e:Au-Cl-Se +mp-570324,Rb2TeBr6,-3.0729348111,-1.4704299202,0.0,-0.0614048279,GGA,I4/m,A6B2C_tI18_87_eh_d_a:Br-Rb-Te,9.0,"Invalid WP multiplicities - A6B2C_tI18_87_2e3h_d_a:Br-Rb-Te, expected Rb2TeBr16 to be Rb2TeBr6" +mp-23383,Rb2TeBr6,-3.0718684311,-1.4693635402,0.00106638,-0.0603384479,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-Rb-Te,9.0,A6B2C_cF36_225_e_c_a:Br-Rb-Te +mp-5808,RbNdTe2,-4.6241427075,-1.6153193846,0.0,-0.1153656516,GGA,R-3m,ABC2_hR12_166_a_b_c:Nd-Rb-Te,4.0,ABC2_hR12_166_a_b_c:Nd-Rb-Te +mp-11011,RbNdTe4,-4.2937578783,-1.2401070319,0.0037039748,0.0037039748,GGA,P4/nbm,ABC4_tP12_125_a_b_m:Nd-Rb-Te,12.0,ABC4_tP12_125_a_b_m:Nd-Rb-Te +mp-556060,NdTeBrO3,-6.3892144758,-2.3384565109,0.0956182188,0.0956182188,GGA,P4/nmm,ABC3D_tP24_129_2c_2c_ac2f_2c:Br-Nd-O-Te,24.0,"Invalid WP multiplicities - ABC3D_tP24_129_2c_2c_2ac7f_4c:Br-Nd-O-Te, expected Nd2Te4Br2O17 to be NdTeBrO3" +mp-557410,NdTe2BrO5,-6.2765220222,-2.1274963438,0.0138713828,0.0138713828,GGA,I4/mmm,ABC5D2_tI36_139_c_d_em_2e:Br-Nd-O-Te,18.0,"Invalid WP multiplicities - ABC5D2_tI36_139_c_d_2e3m_4e:Br-Nd-O-Te, expected NdTe4BrO14 to be NdTe2BrO5" +mp-1195449,Rb7Nd11Te12(Br4O9)4,-6.0646160677,-2.4065395083,0.0,-0.029343444,GGA,I4/mcm,A16B11C36D7E12_tI328_140_fglm_aejl_l4m_bhk_lm:Br-Nd-O-Rb-Te,164.0,A16B11C36D7E12_tI328_140_fglm_aejl_l4m_bhk_lm:Br-Nd-O-Rb-Te +mp-1523004,NaSrTbSeO6,-6.515693831,-2.4334509718,0.1307092239,0.1307092239,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Se-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Se-Sr-Tb +mp-1193917,Sr(TbSe2)2,-5.7799786761,-2.2168541669,0.0,-0.0209197243,GGA,Pnma,A4BC2_oP28_62_4c_c_2c:Se-Sr-Tb,28.0,A4BC2_oP28_62_4c_c_2c:Se-Sr-Tb +mp-1520448,Sr2TbSeO6,-6.771293504,-2.6523538288,0.1841346787,0.1841346787,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Se-Sr-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:O-Se-Sr-Tb +mp-34196,Ca(Sm2Se3)4,-6.0140559152,-2.1233308347,0.0326299549,0.0326299549,GGA,Cc,AB12C8_mC84_9_a_12a_8a:Ca-Se-Sm,42.0,"Invalid WP multiplicities - AB12C8_mC84_9_a_24a_16a:Ca-Se-Sm, expected Ca(Sm2Se3)8 to be Ca(Sm2Se3)4" +mp-559160,NaSmSe2O7,-6.4094975584,-2.0767925255,0.0,-0.0423352356,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-Se-Sm,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_4e_e:Na-O-Se-Sm, expected NaSmSe4O27 to be NaSmSe2O7" +mp-1228221,Ba4PrHo(Cu3O7)2,-6.4321041519,-2.1671773687,0.0347826625,0.0347826625,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Ho-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Ho-O-Pr, expected Ba8PrHo(Cu5O13)2 to be Ba4PrHo(Cu3O7)2" +mp-6779,Ba2Pr(CuO2)4,-6.3318152887,-2.025869155,0.0,-0.0208237292,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Pr,15.0,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Pr +mp-17878,BaHo2CuO5,-7.532579529699999,-3.0974192068,0.0295317029,0.0295317029,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Ho-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_62_c_c_4c_c2d:Ba-Cu-Ho-O, expected BaHo4CuO5 to be BaHo2CuO5" +mp-1229045,Ba10Ho5(Cu5O11)3,-6.4442840275,-2.2088773406,0.029619862,0.029619862,GGA,P-1,A10B15C5D33_aP63_2_5i_a7i_c2i_f16i:Ba-Cu-Ho-O,63.0,"Invalid WP multiplicities - A10B15C5D33_aP63_2_10i_a13i_c3i_f32i:Ba-Cu-Ho-O, expected Ba20Ho7Cu27O65 to be Ba10Ho5(Cu5O11)3" +mp-20936,Ba2PrCu3O7,-6.4182522354,-2.1456909566,0.0256000173,0.0256000173,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Pr,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Pr +mp-616166,Ba2Ho(CuO2)3,-6.4447626333,-2.2449200477,0.011724907,0.011724907,GGA,P4/mmm,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-Ho-O,12.0,"Invalid WP multiplicities - A2B3CD6_tP12_123_h_ag_d_2g2i:Ba-Cu-Ho-O, expected Ba2Ho(CuO4)3 to be Ba2Ho(CuO2)3" +mp-20212,BaPr2CuO5,-7.4198785361,-2.9406077943,0.0204703199,0.0204703199,GGA,P4/mbm,ABC5D2_tP18_127_b_c_ak_g:Ba-Cu-O-Pr,18.0,ABC5D2_tP18_127_b_c_ak_g:Ba-Cu-O-Pr +mp-6616,Ba2HoCu3O7,-6.4493141592,-2.1920218716,0.0318518345,0.0318518345,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Ho-O,13.0,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Ho-O +mp-1228546,Ba2Pr(CuO2)3,-6.1894849917,-1.973100999,0.2277255767,0.2244842605,GGA,P-4m2,A2B3C6D_tP12_115_f_ae_e2g_c:Ba-Cu-O-Pr,12.0,A2B3C6D_tP12_115_f_ae_e2g_c:Ba-Cu-O-Pr +mp-1214585,Ba2Pr(CuO2)3,-6.4172105683,-2.2008265756,0.0,-0.0032413161,GGA,P4/mmm,A2B3C6D_tP12_123_h_ag_gi_d:Ba-Cu-O-Pr,12.0,A2B3C6D_tP12_123_h_ag_gi_d:Ba-Cu-O-Pr +mp-1227911,BaPrCu2O5,-6.5753177115,-2.1717913125,0.0719176912,0.0719176912,GGA,Pmm2,AB2C5D_oP27_25_2ac_3f_2b3d3e2f_a2c:Ba-Cu-O-Pr,27.0,AB2C5D_oP27_25_2ac_3f_2b3d3e2f_a2c:Ba-Cu-O-Pr +mp-1228176,Ba4Pr2Cu6O13,-6.418923568,-2.1733273866,0.015430269,0.015430269,GGA,Fmmm,A4B6C13D2_oF100_69_m_gn_a2ijn_c:Ba-Cu-O-Pr,25.0,"Invalid WP multiplicities - A4B6C13D2_oF100_69_m_gn_a4i2jn_c:Ba-Cu-O-Pr, expected Ba4Pr2(Cu2O7)3 to be Ba4Pr2Cu6O13" +mp-6205,Ba2Ho(CuO2)4,-6.3557735893,-2.0630605813,0.0,-0.0132519575,GGA,Cmmm,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Ho-O,15.0,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Ho-O +mp-1214501,Ba4Ho(CuO3)3,-6.4600316159,-2.3967300252,0.0,-0.0141373637,GGA,Pm-3n,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Ho-O,34.0,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Ho-O +mp-1228247,Ba4Pr2(Cu2O5)3,-6.3798242793,-2.0822953178,0.066730964,0.066730964,GGA,Fmmm,A4B6C15D2_oF108_69_m_gn_ae2ijn_c:Ba-Cu-O-Pr,27.0,"Invalid WP multiplicities - A4B6C15D2_oF108_69_m_gn_ae4i2jn_c:Ba-Cu-O-Pr, expected Ba4Pr2Cu6O23 to be Ba4Pr2(Cu2O5)3" +mp-614964,Ba2PrCu3O8,-6.3428482921,-2.0221350539,0.0592917997,0.0592917997,GGA,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Cu-O-Pr,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_bg_2eg3i_c:Ba-Cu-O-Pr, expected Ba2Pr(CuO6)3 to be Ba2PrCu3O8" +mp-684802,Sr8La3(RuO7)3,-7.33179447,-2.7595761986,0.0117316281,0.0117316281,GGA,P1,A3B21C3D8_aP35_1_3a_21a_3a_8a:La-O-Ru-Sr,35.0,A3B21C3D8_aP35_1_3a_21a_3a_8a:La-O-Ru-Sr +mp-1095906,SrLaZn2,-0.7172676725,1.5689792721,1.8502506833,1.8502506833,GGA,Immm,ABC2_oI8_71_a_b_e:La-Sr-Zn,4.0,ABC2_oI8_71_a_b_e:La-Sr-Zn +mp-1218253,SrLa(RuO3)2,-7.8654721735,-2.3800283829,0.0186353615,0.0186353615,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:La-O-Ru-Sr,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_3a6b_b_a:La-O-Ru-Sr, expected SrLaRu2O15 to be SrLa(RuO3)2" +mp-1218204,SrLaZnRuO6,-7.206087636,-2.5221097384,0.0015352007,0.0015352007,GGA,Pc,AB6CDE_mP20_7_a_6a_a_a_a:La-O-Ru-Sr-Zn,20.0,AB6CDE_mP20_7_a_6a_a_a_a:La-O-Ru-Sr-Zn +mp-1173198,Sr6La4Zn3(RuO10)2,-7.1052708306,-2.786905137,0.0300782824,0.0300782824,GGA,P1,A4B20C2D6E3_aP35_1_4a_20a_2a_6a_3a:La-O-Ru-Sr-Zn,35.0,A4B20C2D6E3_aP35_1_4a_20a_2a_6a_3a:La-O-Ru-Sr-Zn +mp-1218437,Sr3LaZnRuO8,-6.9844797429,-2.6907552211,0.0105596645,0.0105596645,GGA,Amm2,AB8CD3E_oC28_38_a_2a2bf_b_a2b_a:La-O-Ru-Sr-Zn,14.0,AB8CD3E_oC28_38_a_2a2bf_b_a2b_a:La-O-Ru-Sr-Zn +mp-1173238,Sr3La3Zn2RuO12,-7.1841860629,-2.8493929214,0.0447028538,0.0447028538,GGA,Cm,A3B12CD3E2_mC42_8_3a_6a3b_a_3a_2a:La-O-Ru-Sr-Zn,21.0,"Invalid WP multiplicities - A3B12CD3E2_mC42_8_3a_6a5b_a_3a_2a:La-O-Ru-Sr-Zn, expected Sr3La3Zn2RuO16 to be Sr3La3Zn2RuO12" +mp-867847,La2ZnRu,-5.33364095,-0.23210086,0.0589644271,0.0589644271,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:La-Ru-Zn +mp-1521970,SrCaEuBiO6,-7.3016579853,-2.5543863322,0.0606674216,0.0606674216,GGA,P222,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Eu-O-Sr,40.0,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Eu-O-Sr +mp-1522023,SrCaEuBiO6,-7.295452087,-2.5481804339,0.0668733198,0.0668733198,GGA,P42_12,ABCD6E_tP20_90_c_a_c_2cg_b:Bi-Ca-Eu-O-Sr,20.0,ABCD6E_tP20_90_c_a_c_2cg_b:Bi-Ca-Eu-O-Sr +mp-1522007,SrCaEuBiO6,-7.185097083,-2.4378254299,0.1772283238,0.1772283238,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Eu-O-Sr +mp-1517423,BaNaLaSeO6,-6.526863525,-2.3915084166,0.1243775361,0.1243775361,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-La-Na-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-La-Na-O-Se +mp-1522181,NaLa(SeO3)4,-5.8393789233,-1.4170209876,0.2491626403,0.2491626403,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:La-Na-O-Se,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:La-Na-O-Se, expected NaLa(Se2O9)2 to be NaLa(SeO3)4" +mp-1200482,NaLa(SeO5)2,-5.908034288,-1.4282312547,0.1819098976,0.1819098976,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:La-Na-O-Se,56.0,ABC10D2_mP56_14_e_e_10e_2e:La-Na-O-Se +mp-1521966,NaLa(SeO3)2,-6.05654987,-1.7635011079,0.4166729204,0.4166729204,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Se,,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Se +mp-554063,SmSeClO3,-6.61409566,-2.4635789256,0.0,-0.0688449225,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Sm,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_3c3d_c_c:Cl-O-Se-Sm, expected SmSeClO9 to be SmSeClO3" +mp-559195,SmMnSe2ClO6,-6.8642248577,-2.1004891023,0.0,-0.0059718198,GGA+U,P-1,ABC6D2E_aP22_2_i_i_6i_2i_i:Cl-Mn-O-Se-Sm,22.0,"Invalid WP multiplicities - ABC6D2E_aP22_2_i_i_12i_2i_i:Cl-Mn-O-Se-Sm, expected SmMnSe2ClO12 to be SmMnSe2ClO6" +mp-1228239,Ba4La2Cu6O13,-6.4571672232,-2.1991629338,0.0077650191,0.0077650191,GGA,Fmmm,A4B6C2D13_oF100_69_m_gn_c_a2ijn:Ba-Cu-La-O,25.0,"Invalid WP multiplicities - A4B6C2D13_oF100_69_m_gn_c_a4i2jn:Ba-Cu-La-O, expected Ba4La2(Cu2O7)3 to be Ba4La2Cu6O13" +mp-558557,BaLa4Cu5O12,-7.0585054577,-2.4439917648,0.030217944,0.030217944,GGA,P4/m,AB5C4D12_tP22_83_a_dk_j_j2k:Ba-Cu-La-O,22.0,"Invalid WP multiplicities - AB5C4D12_tP22_83_a_d2k_j_2j7k:Ba-Cu-La-O, expected BaLa4(CuO4)9 to be BaLa4Cu5O12" +mp-1046980,BaCa(CuO2)4,-5.71003486,-1.4318269179,0.200691335,0.200691335,GGA,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Cu-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Cu-O +mp-1213978,CaLa2Cu2O7,-7.0712936108,-2.5127229101,0.0998870943,0.0998870943,GGA,I4/mmm,AB2C2D7_tI24_139_a_e_e_beg:Ca-Cu-La-O,12.0,AB2C2D7_tI24_139_a_e_e_beg:Ca-Cu-La-O +mp-1228413,Ba2La(CuO2)3,-6.4533390275,-2.2240299223,0.0009837158,0.0009837158,GGA,P4/mmm,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-La-O,12.0,A2B3CD6_tP12_123_h_ag_d_gi:Ba-Cu-La-O +mp-1228365,Ba3La3(Cu3O7)2,-6.6705653819,-2.2700335314,0.027467442,0.027467442,GGA,Fmm2,A3B6C3D14_oF104_42_3a_3b_3a_2b2c3d:Ba-Cu-La-O,26.0,A3B6C3D14_oF104_42_3a_3b_3a_2b2c3d:Ba-Cu-La-O +mp-2228001,MgZn(NiO2)4,-6.0058482221,-1.3234139314,0.0794642055,0.0794642055,GGA+U,C2/m,AB4C8D_mC28_12_c_abe_2ij_d:Mg-Ni-O-Zn,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_c_abe_3i3j_d:Mg-Ni-O-Zn, expected MgZn(Ni2O9)2 to be MgZn(NiO2)4" +mp-2228901,MgZn2Ni3O8,-5.6977012836,-1.3381522121,0.149549981,0.149549981,GGA+U,P-1,AB3C8D2_aP14_2_a_ei_4i_i:Mg-Ni-O-Zn,14.0,"Invalid WP multiplicities - AB3C8D2_aP14_2_a_ei_5i_i:Mg-Ni-O-Zn, expected MgZn2Ni3O10 to be MgZn2Ni3O8" +mp-2227286,MgZn2Ni3O8,-5.6059057929,-1.2463567214,0.2413454717,0.2413454717,GGA+U,Cm,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Ni-O-Zn,14.0,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Ni-O-Zn +mp-2228510,MgZn2Ni3O8,-5.6995584029,-1.3400093314,0.1476928617,0.1476928617,GGA+U,C2/m,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Ni-O-Zn,14.0,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Ni-O-Zn +mp-1222733,LaZn4Ni,-2.9690279833,-0.3431749458,0.0011050126,0.0011050126,GGA,P-6m2,ABC4_hP6_187_a_c_ek:La-Ni-Zn,6.0,ABC4_hP6_187_a_c_ek:La-Ni-Zn +mp-1385224,La2ZnNiO6,-7.198416903,-2.5392142262,0.0240534919,0.0240534919,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:La-Ni-O-Zn,10.0,A2BC6D_hR30_148_c_a_f_b:La-Ni-O-Zn +mp-2241389,La2MgZnNiO6,-7.0604914791,-2.6793726775,0.1872001651,0.1872001651,GGA+U,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Ni-O-Zn,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Ni-O-Zn +mp-13532,La2ZnNi2,-4.897450658,-0.359044422,0.0071762837,0.0071762837,GGA,Immm,A2B2C_oI10_71_e_g_c:La-Ni-Zn,5.0,A2B2C_oI10_71_e_g_c:La-Ni-Zn +mp-1212250,LaZnNi2,-4.7737925567,-0.3347865379,0.0308848205,0.0308848205,GGA,P6_3/mmc,AB2C_hP24_194_cf_k_abd:La-Ni-Zn,24.0,AB2C_hP24_194_cf_k_abd:La-Ni-Zn +mp-1222765,LaZn3Ni2,-3.747283815,-0.3680319325,0.0,-0.0164178083,GGA,P6/mmm,AB2C3_hP6_191_a_c_g:La-Ni-Zn,6.0,AB2C3_hP6_191_a_c_g:La-Ni-Zn +mp-2228439,La4MgNiO8,-8.051219355,-3.2870797236,0.0931890702,0.0931890702,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_c_ghn:La-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_gh_a_c_gh2n:La-Mg-Ni-O, expected La4MgNiO12 to be La4MgNiO8" +mp-2226862,La4MgNiO8,-7.5907999414,-2.8266603100000003,0.5536084838,0.5536084838,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_b_ghn:La-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_gh_a_b_gh2n:La-Mg-Ni-O, expected La4MgNiO12 to be La4MgNiO8" +mp-2228535,La4MgNiO8,-7.5604628693,-2.7963232379000003,0.5839455559,0.5839455559,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_d_ghn:La-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_gh_a_d_gh2n:La-Mg-Ni-O, expected La4MgNiO12 to be La4MgNiO8" +mp-1222791,LaZnNi4,-5.2207299083,-0.3346803358,0.0,-0.0137987408,GGA,P-6m2,AB4C_hP6_187_a_ck_e:La-Ni-Zn,6.0,AB4C_hP6_187_a_ck_e:La-Ni-Zn +mp-2224743,MgZn2(NiO2)4,-5.7727043953,-1.3184494833,0.229033665,0.229033665,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Ni-O-Zn +mp-2232875,MgZn2(NiO2)4,-5.5493569813,-1.0951020693,0.452381079,0.452381079,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Ni-O-Zn +mp-2224809,MgZn2(NiO2)4,-5.5497115827,-1.0954566707,0.4520264777,0.4520264777,GGA+U,C2,AB4C8D2_mC30_5_a_2c_4c_ab:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_5_a_2c_6c_ab:Mg-Ni-O-Zn, expected MgZn2(NiO3)4 to be MgZn2(NiO2)4" +mp-2232737,MgZn2(NiO2)4,-5.6227854007,-1.1685304887,0.3789526597,0.3789526597,GGA+U,Pm,AB4C8D2_mP15_6_a_2c_ab3c_ab:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mP15_6_a_4c_ab4c_ab:Mg-Ni-O-Zn, expected MgZn2(Ni4O5)2 to be MgZn2(NiO2)4" +mp-2226900,MgZn2(NiO2)4,-5.7012011313,-1.2469462193,0.300536929,0.300536929,GGA+U,Pm,AB4C8D2_mP15_6_a_2c_ab3c_ab:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mP15_6_a_4c_ab4c_ab:Mg-Ni-O-Zn, expected MgZn2(Ni4O5)2 to be MgZn2(NiO2)4" +mp-2226682,MgZn2(NiO2)4,-5.7797936847,-1.3255387727,0.2219443757,0.2219443757,GGA+U,Cm,AB4C8D2_mC30_8_a_2ab_4a2b_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_mC30_8_a_2ab_4a2b_2a:Mg-Ni-O-Zn +mp-2226798,MgZn2(NiO2)4,-5.7506213347,-1.2963664227,0.2511167257,0.2511167257,GGA+U,Cm,AB4C8D2_mC30_8_a_2ab_4a2b_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Ni-O-Zn +mp-2227949,MgZn2(NiO2)4,-5.7279446,-1.2736896880000002,0.2737934603,0.2737934603,GGA+U,Cm,AB4C8D2_mC30_8_a_2ab_4a2b_2a:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_8_a_2a2b_4a4b_2a:Mg-Ni-O-Zn, expected MgZn2(NiO2)6 to be MgZn2(NiO2)4" +mp-2226940,MgZn2(NiO2)4,-5.7603461453,-1.3060912333,0.241391915,0.241391915,GGA+U,Cm,AB4C8D2_mC30_8_a_2ab_4a2b_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_hR45_160_a_ab_2a2b_2a:Mg-Ni-O-Zn +mp-2226868,MgZn2(NiO2)4,-5.8311074453,-1.3768525333,0.170630615,0.170630615,GGA+U,C2/m,AB4C8D2_mC30_12_b_ace_2ij_i:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_b_ac2f_4i3j_i:Mg-Ni-O-Zn, expected MgZn2(Ni3O10)2 to be MgZn2(NiO2)4" +mp-2232632,MgZn2(NiO2)4,-5.7479171073,-1.2936621953,0.253820953,0.253820953,GGA+U,Imm2,AB4C8D2_oI30_44_a_cd_2c2d_ab:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_5_a_3c_7c_ab:Mg-Ni-O-Zn, expected MgZn2(Ni3O7)2 to be MgZn2(NiO2)4" +mp-2232699,MgZn2(NiO2)4,-5.789904776,-1.335649864,0.2118332843,0.2118332843,GGA+U,R3m,AB4C8D2_hR45_160_a_ab_2a2b_2a:Mg-Ni-O-Zn,15.0,AB4C8D2_hR45_160_a_ab_2a2b_2a:Mg-Ni-O-Zn +mp-2227113,MgZn2(NiO2)4,-5.8304478407,-1.3761929287,0.1712902197,0.1712902197,GGA+U,R-3m,AB4C8D2_hR45_166_b_ad_ch_c:Mg-Ni-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_a_bc2f_4i3j_i:Mg-Ni-O-Zn, expected MgZn2(Ni3O10)2 to be MgZn2(NiO2)4" +mp-13534,LaZnNi,-4.3838373844,-0.3918749194,0.0,-0.028585604,GGA,P-62m,ABC_hP9_189_f_ad_g:La-Ni-Zn,9.0,ABC_hP9_189_f_ad_g:La-Ni-Zn +mp-2217604,La2Mg(NiO3)2,-7.2858854782,-2.493821852,0.2686030247,0.2686030247,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:La-Mg-Ni-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:La-Mg-Ni-O +mp-2217996,La2Mg(NiO3)2,-7.2302268155,-2.4381631893,0.3242616874,0.3242616874,GGA+U,R3,A2BC2D6_hR33_146_2a_a_2a_2b:La-Mg-Ni-O,11.0,A2BC2D6_hR33_146_2a_a_2a_2b:La-Mg-Ni-O +mp-1032644,Mg6ZnNiO8,-6.1485387806,-2.6350968881,0.0371857175,0.0371857175,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Zn, expected Mg6ZnNiO12 to be Mg6ZnNiO8" +mp-1032645,Mg6ZnNiO8,-6.1510949094,-2.6376530169,0.0346295887,0.0346295887,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Zn, expected Mg6ZnNiO12 to be Mg6ZnNiO8" +mp-1215009,BaFe2PbO5,-7.2091447547,-1.9530216451,0.0,-0.0009995026,GGA+U,Pnma,AB2C5D_oP36_62_c_2c_5c_c:Ba-Fe-O-Pb,36.0,AB2C5D_oP36_62_c_2c_5c_c:Ba-Fe-O-Pb +mp-1228450,Ba4Bi(PbO4)3,-6.2549900195,-2.1542602877,0.0,-0.0035991759,GGA,P2/m,A4BC12D3_mP20_10_mn_a_mn2o_ceh:Ba-Bi-O-Pb,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_10_2mn_e_2mn7o_ach:Ba-Bi-O-Pb, expected Ba6BiPb3O34 to be Ba4Bi(PbO4)3" +mp-1228269,Ba4Bi(PbO4)3,-6.253621382,-2.1528916502,0.0013686375,-0.0022305384,GGA,C2/m,A4BC12D3_mC40_12_2i_a_2i2j_di:Ba-Bi-O-Pb,20.0,"Invalid WP multiplicities - A4BC12D3_mC40_12_4i_a_4i8j_ci:Ba-Bi-O-Pb, expected Ba8BiPb3O40 to be Ba4Bi(PbO4)3" +mp-1228189,Ba4Bi(PbO4)3,-6.232427224,-2.1316974922,0.0225627955,0.0189636196,GGA,P4/mmm,A4BC12D3_tP20_123_2h_a_ef2gi_bg:Ba-Bi-O-Pb,20.0,"Invalid WP multiplicities - A4BC12D3_tP20_123_3h_a_2e2f3g4i_b2g:Ba-Bi-O-Pb, expected Ba6Bi(PbO6)5 to be Ba4Bi(PbO4)3" +mp-1228896,Ba5BiPb4O15,-6.2435030754,-2.1440517643,0.0012791718,0.0012791718,GGA,P-1,A5BC15D4_aP50_2_5i_i_15i_be3i:Ba-Bi-O-Pb,50.0,"Invalid WP multiplicities - A5BC15D4_aP50_2_9i_i_28i_be6i:Ba-Bi-O-Pb, expected Ba9Bi(PbO4)7 to be Ba5BiPb4O15" +mp-1228869,Ba5BiPb4O15,-6.242534449,-2.1430831379,0.0022477982,0.0022477982,GGA,C2/m,A5BC15D4_mC100_12_5i_i_5i5j_ad3i:Ba-Bi-O-Pb,50.0,"Invalid WP multiplicities - A5BC15D4_mC100_12_10i_i_10i20j_ac5i:Ba-Bi-O-Pb, expected Ba10Bi(Pb3O25)2 to be Ba5BiPb4O15" +mp-1228771,BaFe5Bi4O15,-7.0922789452,-1.7390242181,0.0624156302,0.0624156302,GGA+U,Cc,AB4C5D15_mC100_9_a_4a_5a_15a:Ba-Bi-Fe-O,50.0,"Invalid WP multiplicities - AB4C5D15_mC100_9_a_8a_10a_30a:Ba-Bi-Fe-O, expected BaFe10(Bi4O15)2 to be BaFe5Bi4O15" +mp-1228457,Ba3BiPb2O9,-6.264537124,-2.1616766913,0.0025657227,0.0025657227,GGA,P-1,A3BC9D2_aP30_2_3i_i_9i_aei:Ba-Bi-O-Pb,30.0,"Invalid WP multiplicities - A3BC9D2_aP30_2_6i_i_18i_aei:Ba-Bi-O-Pb, expected Ba6Bi(PbO9)2 to be Ba3BiPb2O9" +mp-1228508,Ba2Fe4Bi2O11,-7.1093448011,-1.8560506535,0.1323614255,0.1323614255,GGA+U,P4mm,A2B2C4D11_tP19_99_2a_2a_4b_3b4c:Ba-Bi-Fe-O,19.0,A2B2C4D11_tP19_99_2a_2a_4b_3b4c:Ba-Bi-Fe-O +mp-1228606,Ba2Fe5BiPb2O13,-7.128121567,-1.8341740693,0.064789915,0.064789915,GGA+U,C2/m,A2BC5D13E2_mC46_12_i_c_b2i_a6i_i:Ba-Bi-Fe-O-Pb,23.0,A2BC5D13E2_mC46_12_i_c_a2i_b6i_i:Ba-Bi-Fe-O-Pb +mp-1228338,Ba4Bi3PbO12,-6.3242805315,-2.2107665938,0.003386451,0.003386451,GGA,C2/m,A4B3C12D_mC40_12_2i_ai_2i2j_d:Ba-Bi-O-Pb,20.0,"Invalid WP multiplicities - A4B3C12D_mC40_12_3i_ai_3i5j_c:Ba-Bi-O-Pb, expected Ba6Bi3PbO26 to be Ba4Bi3PbO12" +mp-1228435,Ba3Bi2PbO9,-6.3134829243,-2.2020996876,0.002071231,0.002071231,GGA,C2/m,A3B2C9D_mC60_12_3i_aci_3i3j_i:Ba-Bi-O-Pb,30.0,"Invalid WP multiplicities - A3B2C9D_mC60_12_6i_ad2i_6i9j_i:Ba-Bi-O-Pb, expected Ba6Bi3PbO24 to be Ba3Bi2PbO9" +mp-1221279,Na3LiGa4(SiO3)8,-7.3672857228,-2.8644868191,0.0284215615,0.0284215615,GGA,P2,A4BC3D24E8_mP40_3_abcd_a_bcd_12e_4e:Ga-Li-Na-O-Si,40.0,"Invalid WP multiplicities - A4BC3D24E8_mP40_3_abcd_a_bcd_24e_8e:Ga-Li-Na-O-Si, expected Na3LiGa4(SiO3)16 to be Na3LiGa4(SiO3)8" +mp-540945,Na2Li3GaO4,-5.1971128852,-2.0784458798,0.0,-0.0181620446,GGA,Pnnm,AB3C2D4_oP40_58_g_gh_eg_2gh:Ga-Li-Na-O,40.0,AB3C2D4_oP40_58_g_gh_eg_2gh:Ga-Li-Na-O +mp-1221494,Na3Ga3Si3O16,-6.1265929462,-1.7875994495,0.4921224728,0.4921224728,GGA,R3c,A3B3C16D3_hR150_161_b_b_a5b_b:Ga-Na-O-Si,50.0,"Invalid WP multiplicities - A3B3C16D3_hR150_161_b_b_2a21b_b:Ga-Na-O-Si, expected Na3Ga3Si3O65 to be Na3Ga3Si3O16" +mp-6822,NaGa(SiO3)2,-7.3486465525,-2.8605075882,0.0196703072,0.0196703072,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ga-Na-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Ga-Na-O-Si +mp-1195858,Na4Ga4Si19,-4.4388370787,0.023515804,0.0636156911,0.0636156911,GGA,P1,A4B4C19_aP54_1_8a_8a_38a:Ga-Na-Si,54.0,A4B4C19_aP54_1_8a_8a_38a:Ga-Na-Si +mp-560632,NaGaSiO4,-6.9371966967,-2.7139546694,0.0,-0.0358439283,GGA,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Ga-Na-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_2a4b_19c_c:Ga-Na-O-Si, expected Na2GaSiO19 to be NaGaSiO4" +mp-559904,NaLi3SiO4,-6.2156578225,-2.6310615149,0.0,-0.0268074299,GGA,I4_1/a,A3BC4D_tI144_88_3f_f_4f_f:Li-Na-O-Si,72.0,"Invalid WP multiplicities - A3BC4D_tI144_88_15f_f_26f_f:Li-Na-O-Si, expected NaLi15SiO26 to be NaLi3SiO4" +mp-28612,Na(LiSi2)3,-4.045068117,-0.0849479097,0.0196430911,0.0196430911,GGA,Pnma,A3BC6_oP40_62_3c_c_6c:Li-Na-Si,40.0,A3BC6_oP40_62_3c_c_6c:Li-Na-Si +mp-1220982,NaLiGa2(SiO3)4,-7.387014147,-2.869555304,0.0360835618,0.0360835618,GGA,C2,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ga-Li-Na-O-Si,20.0,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ga-Li-Na-O-Si +mp-1220817,NaLi3Ga4(SiO3)8,-7.4104156145,-2.8782968322,0.0400725188,0.0400725188,GGA,C2,A4B3CD24E8_mC80_5_abc_ac_b_12c_4c:Ga-Li-Na-O-Si,40.0,"Invalid WP multiplicities - A4B3CD24E8_mC80_5_abc_ac_b_21c_7c:Ga-Li-Na-O-Si, expected NaLi3Ga4(SiO3)14 to be NaLi3Ga4(SiO3)8" +mp-1042982,CaTi(GeO3)2,-7.60232786,-2.7195998726,0.0355172693,0.0355172693,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-Ti,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-Ti +mp-1042950,CaTi(GeO3)2,-7.528999424,-2.6462714366,0.1088457053,0.1088457053,GGA,C2/c,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-Ti,20.0,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-Ti +mp-17784,CaTiGeO5,-7.9571832625,-3.049987849,0.0,-0.0173396792,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Ca-Ge-O-Ti,32.0,ABC5D_mP32_14_e_e_5e_e:Ca-Ge-O-Ti +mp-1205333,CaTiGeO5,-7.9551044369,-3.0479090234,0.0020788256,-0.0152608535,GGA,C2/c,ABC5D_mC32_15_e_e_e2f_a:Ca-Ge-O-Ti,16.0,ABC5D_mC32_15_e_e_e2f_c:Ca-Ge-O-Ti +mp-1520361,SrCa(GeO3)4,-6.4525769522,-1.9221619918,0.3107326337,0.3107326337,GGA,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Ge-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Ge-O-Sr, expected SrCa(GeO4)4 to be SrCa(GeO3)4" +mp-1218580,SrCaTi2(GeO5)2,-7.9348728347,-3.0474340729,0.0002256448,0.0002256448,GGA,P2_1,AB2C10DE2_mP32_4_a_2a_10a_a_2a:Ca-Ge-O-Sr-Ti,32.0,AB2C10DE2_mP32_4_a_2a_10a_a_2a:Ca-Ge-O-Sr-Ti +mp-559957,SrTiGeO5,-7.9130136966,-3.0453315864,0.0,-0.0166082182,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Ge-O-Sr-Ti,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_17e_e_e:Ge-O-Sr-Ti, expected SrTiGeO17 to be SrTiGeO5" +mp-1324516,Ca3Ti2(GeO4)3,-7.6528759858,-2.9010193971,0.0623880073,0.0623880073,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Ti,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Ti +mp-2227250,Na2MgFe4O7,-6.8187706929,-1.6221823746,0.26804465,0.26804465,GGA+U,Cm,A4BC2D7_mC28_8_2ab_a_b_3a2b:Fe-Mg-Na-O,14.0,"Invalid WP multiplicities - A4BC2D7_mC28_8_2ab_a_b_3a3b:Fe-Mg-Na-O, expected Na2MgFe4O9 to be Na2MgFe4O7" +mp-2230864,Na4Mg(Fe2O5)2,-6.3944319158,-1.6450975381,0.194956768,0.194956768,GGA+U,C2,A4BC4D10_mC38_5_abc_a_2c_5c:Fe-Mg-Na-O,19.0,"Invalid WP multiplicities - A4BC4D10_mC38_5_ab2c_a_4c_10c:Fe-Mg-Na-O, expected Na8Mg(Fe3O10)2 to be Na4Mg(Fe2O5)2" +mp-2230090,Na4Mg(Fe2O5)2,-6.4196350111000005,-1.6703006334,0.1697536727,0.1697536727,GGA+U,Cm,A4BC4D10_mC38_8_2ab_a_2b_2a4b:Fe-Mg-Na-O,19.0,"Invalid WP multiplicities - A4BC4D10_mC38_8_2a2b_a_2b_2a6b:Fe-Mg-Na-O, expected Na4Mg(Fe3O7)2 to be Na4Mg(Fe2O5)2" +mp-2232376,Na2Mg(FeO2)4,-6.9441862273,-1.7642578829,0.1815009317,0.1815009317,GGA+U,R-3m,A4BC2D8_hR45_166_ad_b_c_ch:Fe-Mg-Na-O,15.0,"Invalid WP multiplicities - A4BC2D8_hR45_166_ad_b_c_2c2h:Fe-Mg-Na-O, expected Na2Mg(FeO4)4 to be Na2Mg(FeO2)4" +mp-1523161,NaLa(FeO3)4,-6.9219723561,-1.394256702,0.2735742619,0.2735742619,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Fe-La-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Fe-La-Na-O, expected NaLa(Fe2O9)2 to be NaLa(FeO3)4" +mp-2228454,La4MgFeO8,-8.2687273829,-3.3124531421,0.1097800819,0.1097800819,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Fe-La-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_2gh_c_g2hn:Fe-La-Mg-O, expected La6MgFeO10 to be La4MgFeO8" +mp-2228462,La4MgFeO8,-7.7219808321,-2.7657065914,0.6565266326,0.6565266326,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_b_ghn:Fe-La-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_2gh_b_g2hn:Fe-La-Mg-O, expected La6MgFeO10 to be La4MgFeO8" +mp-1026760,NaLaMg14,-1.7405306262,0.0508726924,0.1004564128,0.1004564128,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Na, expected NaLaMg18 to be NaLaMg14" +mp-1026781,NaLaMg14,-1.7546300788,0.0367732399,0.0863569603,0.0863569603,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Na, expected NaLaMg26 to be NaLaMg14" +mp-1021204,NaLaMg6,-1.8979786244,0.0845479629,0.1597812445,0.1597812445,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Na, expected NaLaMg12 to be NaLaMg6" +mp-1021209,NaLaMg6,-1.9088937212,0.0736328661,0.1488661476,0.1488661476,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Na, expected NaLaMg12 to be NaLaMg6" +mp-1031108,NaLaMg6O8,-6.3422084475,-2.8776007982,0.1732437984,0.1732437984,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:La-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:La-Mg-Na-O, expected NaLaMg6O12 to be NaLaMg6O8" +mp-1031159,NaLaMg6O8,-6.2641664512,-2.799558802,0.2512857947,0.2512857947,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:La-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:La-Mg-Na-O, expected NaLaMg6O12 to be NaLaMg6O8" +mp-2224450,NaMgFeO2,-5.870140768,-1.6128999728,0.4049382543,0.4049382543,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Fe-Mg-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Fe-Mg-Na-O +mp-2240957,NaMgFeO2,-5.861726052,-1.6044852568,0.4133529703,0.4133529703,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Fe-Mg-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Fe-Mg-Na-O +mp-2226166,NaMgFeO2,-5.287243614,-1.0300028188,0.9878354083,0.9878354083,GGA+U,C2/m,ABCD2_mC10_12_c_a_b_i:Fe-Mg-Na-O,5.0,ABCD2_mC10_12_c_a_b_i:Fe-Mg-Na-O +mp-2210678,NaMgFeO2,-5.828896008,-1.5716552128,0.4461830143,0.4461830143,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Fe-Mg-Na-O,5.0,ABCD2_hR15_160_a_a_a_2a:Fe-Mg-Na-O +mp-1272866,La2MgFeO6,-7.9675720065,-3.0053272327,0.0010520354,0.0010520354,GGA+U,P-1,AB2CD6_aP10_2_b_i_d_3i:Fe-La-Mg-O,20.0,"Invalid WP multiplicities - AB2CD6_aP10_2_b_i_d_6i:Fe-La-Mg-O, expected La2MgFeO12 to be La2MgFeO6" +mp-1295386,La2MgFeO6,-7.958540431,-2.9962956573,0.0100836109,0.0100836109,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Fe-La-Mg-O,10.0,AB2CD6_hR30_148_a_c_b_f:Fe-La-Mg-O +mp-1037628,NaMg30FeO32,-6.3397635761,-2.9632794079,0.0125902134,0.0125902134,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Fe-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Fe-Mg-Na-O, expected NaMg90FeO80 to be NaMg30FeO32" +mp-1037565,NaMg30FeO32,-6.3368974256,-2.9604132574,0.0154563639,0.0154563639,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Fe-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Fe-Mg-Na-O, expected NaMg110FeO72 to be NaMg30FeO32" +mp-2240076,La2Mg(FeO3)2,-7.9639519127,-2.682818372,0.1890773178,0.1890773178,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Fe-La-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Fe-La-Mg-O +mp-2217547,La2Mg(FeO3)2,-7.91467439,-2.6335408493,0.2383548405,0.2383548405,GGA+U,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Fe-La-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Fe-La-Mg-O +mp-2228107,Na4Mg(FeO3)2,-5.95080266,-1.8346060514,0.108828565,0.108828565,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O +mp-2233548,Na4Mg(FeO3)2,-5.8830783615,-1.766881753,0.1765528635,0.1765528635,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O +mp-2224261,Na4Mg(FeO3)2,-5.9535855238,-1.8373889153,0.1060457012,0.1060457012,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O +mp-2233921,Na4Mg(FeO3)2,-5.9404577115,-1.824261103,0.1191735135,0.1191735135,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O +mp-2233710,Na4Mg(FeO3)2,-5.90361742,-1.7874208114,0.156013805,0.156013805,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Fe-Mg-Na-O +mp-2218472,Na4Mg(FeO3)2,-5.9307248231,-1.8145282145,0.1289064019,0.1289064019,GGA+U,Cm,A2BC4D6_mC26_8_2a_a_2b_2a2b:Fe-Mg-Na-O,13.0,"Invalid WP multiplicities - A2BC4D6_mC26_8_2a_a_4b_2a4b:Fe-Mg-Na-O, expected Na8Mg(FeO5)2 to be Na4Mg(FeO3)2" +mp-2233734,Na4Mg(FeO3)2,-5.9069721154,-1.7907755068000002,0.1526591096,0.1526591096,GGA+U,Amm2,A2BC4D6_oC26_38_ab_a_f_cde:Fe-Mg-Na-O,13.0,A2BC4D6_oC26_38_ab_a_f_cde:Fe-Mg-Na-O +mp-1035183,NaLaMg14O16,-6.295326975,-2.92628096,0.126161488,0.126161488,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:La-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:La-Mg-Na-O, expected NaLaMg18O20 to be NaLaMg14O16" +mp-1035030,NaLaMg14O16,-6.3051676172,-2.9361216022,0.1163208458,0.1163208458,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:La-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:La-Mg-Na-O, expected NaLaMg30O32 to be NaLaMg14O16" +mp-2231815,Na8Mg(FeO4)2,-5.3501682579,-1.7346927575,0.0804875771,0.0804875771,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O +mp-2230177,Na8Mg(FeO4)2,-5.3719470737,-1.7564715733,0.0587087613,0.0587087613,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O +mp-2231632,Na8Mg(FeO4)2,-5.3694583705,-1.7539828701,0.0611974645,0.0611974645,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O +mp-2230529,Na8Mg(FeO4)2,-5.3710313763,-1.7555558759,0.0596244587,0.0596244587,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-Na-O +mp-2223664,LaMgFeO3,-6.7901166583,-1.8157209085,1.0713468726,1.0713468726,GGA+U,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Fe-La-Mg-O,6.0,ABCD3_tP6_123_b_c_d_ae:Fe-La-Mg-O +mp-2226544,LaMgFeO3,-7.12741968,-2.1530239302,0.7340438509,0.7340438509,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:Fe-La-Mg-O,6.0,ABCD3_hR18_160_a_a_a_b:Fe-La-Mg-O +mp-2224830,Na4Mg(FeO2)4,-6.4500446618,-1.723928441,0.1424777089,0.1424777089,GGA+U,P1,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O +mp-2229053,Na4Mg(FeO2)4,-6.4343970135,-1.7082807927,0.1581253572,0.1581253572,GGA+U,P1,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O +mp-2229153,Na4Mg(FeO2)4,-6.4257701988,-1.6996539780000002,0.1667521719,0.1667521719,GGA+U,P1,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:Fe-Mg-Na-O +mp-2224731,Na4Mg(FeO2)4,-6.3722930276,-1.6461768068,0.220229343,0.220229343,GGA+U,C2,A4BC4D8_mC34_5_abc_a_abc_4c:Fe-Mg-Na-O,17.0,"Invalid WP multiplicities - A4BC4D8_mC34_5_abc_a_abc_8c:Fe-Mg-Na-O, expected Na4Mg(FeO4)4 to be Na4Mg(FeO2)4" +mp-1035481,NaMg14FeO16,-6.3468511291,-2.8673671733,0.03033177,0.03033177,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Fe-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Fe-Mg-Na-O, expected NaMg18FeO20 to be NaMg14FeO16" +mp-1035457,NaMg14FeO16,-6.3383481478,-2.8588641921,0.0388347513,0.0388347513,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Fe-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Fe-Mg-Na-O, expected NaMg30FeO32 to be NaMg14FeO16" +mp-1032374,NaMg6FeO8,-6.3449391537,-2.6594556229,0.0819019644,0.0819019644,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Fe-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Fe-Mg-Na-O, expected NaMg6FeO12 to be NaMg6FeO8" +mp-1032382,NaMg6FeO8,-6.3420957662,-2.6566122354,0.0847453519,0.0847453519,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Fe-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Fe-Mg-Na-O, expected NaMg6FeO12 to be NaMg6FeO8" +mp-1039932,NaLaMg30O32,-6.3215702775,-3.0003050797,0.052936294,0.052936294,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:La-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:La-Mg-Na-O, expected NaLaMg110O72 to be NaLaMg30O32" +mp-1039999,NaLaMg30O32,-6.3164806995,-2.9952155017,0.058025872,0.058025872,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:La-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:La-Mg-Na-O, expected NaLaMg90O80 to be NaLaMg30O32" +mp-1043839,LaMg(FeO3)2,-7.692265464,-2.3766192798,0.0936246708,0.0936246708,GGA+U,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Fe-La-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a2b:Fe-La-Mg-O, expected LaMg(FeO4)2 to be LaMg(FeO3)2" +mp-2232174,NaMgFe5O8,-7.2682488787,-1.6118208064,0.2482969637,0.2482969637,GGA+U,Cm,A5BCD8_mC30_8_3ab_a_a_4a2b:Fe-Mg-Na-O,15.0,"Invalid WP multiplicities - A5BCD8_mC30_8_3a2b_a_a_4a4b:Fe-Mg-Na-O, expected NaMgFe7O12 to be NaMgFe5O8" +mp-2232432,NaMgFe5O8,-7.2575593453,-1.6011312731,0.258986497,0.258986497,GGA+U,C2/m,A5BCD8_mC30_12_cei_b_a_2ij:Fe-Mg-Na-O,15.0,"Invalid WP multiplicities - A5BCD8_mC30_12_c2e2i_b_a_3i2j:Fe-Mg-Na-O, expected NaMgFe9O14 to be NaMgFe5O8" +mp-2232210,NaMgFe5O8,-7.0244114013,-1.3679833291,0.492134441,0.492134441,GGA+U,R3m,A5BCD8_hR45_160_2ab_a_a_2a2b:Fe-Mg-Na-O,15.0,"Invalid WP multiplicities - A5BCD8_hR45_160_2a3b_a_a_2a3b:Fe-Mg-Na-O, expected NaMg(FeO)11 to be NaMgFe5O8" +mp-2232356,NaMgFe5O8,-7.324390648,-1.6679625758,0.1921551943,0.1921551943,GGA+U,R-3m,A5BCD8_hR45_166_cd_b_a_ch:Fe-Mg-Na-O,15.0,"Invalid WP multiplicities - A5BCD8_hR45_166_2c3d_b_a_c2h:Fe-Mg-Na-O, expected NaMgFe13O14 to be NaMgFe5O8" +mp-1202535,Ca(Al4Ni)2,-4.3412443682,-0.3839280155,0.0013025745,0.0013025745,GGA,Pbam,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ca-Ni,44.0,A8BC2_oP44_55_ad2g5h_g_2g:Al-Ca-Ni +mp-3479,CaAl9Ni,-4.0130084755,-0.2406521999999999,0.0,-0.0026637586,GGA,P6_3/mmc,A9BC_hP22_194_hk_b_c:Al-Ca-Ni,22.0,A9BC_hP22_194_hk_b_c:Al-Ca-Ni +mp-1516746,CaEu(NiO3)4,-6.1665207317,-0.9029977908,0.4576961617,0.4576961617,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ca-Eu-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ca-Eu-Ni-O, expected CaEu(NiO4)4 to be CaEu(NiO3)4" +mp-1257498,Ca2AlNiO5,-6.9753754217,-2.7231136632,0.0084017521,0.0084017521,GGA+U,Ima2,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Ni-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Ni-O +mp-1218150,SrNdAlO4,-7.8029061986,-3.518624547,0.0114216562,0.0114216562,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-Nd-O-Sr +mp-1173209,Sr4Nd3Ta2Al5O21,-8.3204239617,-3.5379578629,0.0292146393,0.0292146393,GGA,R-3m,A5B3C21D4E2_hR105_166_a2c_bc_d3h_2c_c:Al-Nd-O-Sr-Ta,35.0,"Invalid WP multiplicities - A5B3C21D4E2_hR105_166_a3c_b2c_2d9h_2c_c:Al-Nd-O-Sr-Ta, expected Sr4Nd5Ta2Al7O60 to be Sr4Nd3Ta2Al5O21" +mp-1232353,Sr3NdTaAl3O12,-8.007983066,-3.3934131936,0.0419238919,0.0419238919,GGA,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Al-Nd-O-Sr-Ta,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Al-Nd-O-Sr-Ta +mp-1232350,Sr3NdTaAl3O12,-7.9996350072,-3.3850651349,0.0502719506,0.0502719506,GGA,C2,A3BC12D3E_mC80_5_3c_ab_2a2b10c_ab2c_c:Al-Nd-O-Sr-Ta,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_5_6c_ab_2a2b19c_ab3c_c:Al-Nd-O-Sr-Ta, expected Sr4NdTaAl6O21 to be Sr3NdTaAl3O12" +mp-1218172,SrNdAl3O7,-7.9164211792,-3.5563220663,0.0,-0.0074856802,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Al-Nd-O-Sr,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Al-Nd-O-Sr, expected SrNdAl5O19 to be SrNdAl3O7" +mp-1210290,Nd6Ta4Al43,-4.7782474976,-0.3046671994,0.0,-0.0082635246,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-Ta,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-Ta +mp-1208759,Sr2NdTaO6,-8.4849721455,-3.5164677218,0.0,-7.45954e-05,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Nd-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Nd-O-Sr-Ta +mp-1147547,Sr2TaAlO6,-8.30244337,-3.4361961066,0.051430604,0.0239478565,GGA,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Al-O-Sr-Ta,10.0,"Invalid WP multiplicities - AB6C2D_tP10_123_a_2e2fg_h_b:Al-O-Sr-Ta, expected Sr2TaAlO10 to be Sr2TaAlO6" +mp-1205594,Sr2TaAlO6,-8.353873974,-3.4876267106,0.0,-0.0274827475,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-O-Sr-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Al-O-Sr-Ta +mp-756781,Sr3Li2Nb4O13,-8.2654496527,-3.1018814937,0.0166366308,0.0166366308,GGA,I4/mmm,A2B4C13D3_tI44_139_d_2e_a2e2g_be:Li-Nb-O-Sr,22.0,"Invalid WP multiplicities - A2B4C13D3_tI44_139_d_3e_a4e6g_b2e:Li-Nb-O-Sr, expected Sr5Li2Nb6O33 to be Sr3Li2Nb4O13" +mp-753864,Sr2Li2Nb4O13,-8.4190926805,-3.0900923926,0.027410544,0.027410544,GGA,I4/mmm,A2B4C13D2_tI42_139_d_2e_a2e2g_e:Li-Nb-O-Sr,21.0,"Invalid WP multiplicities - A2B4C13D2_tI42_139_d_4e_a3e6g_e:Li-Nb-O-Sr, expected Sr2Li2Nb8O31 to be Sr2Li2Nb4O13" +mp-772997,Li8Ti7Nb6O30,-8.4707323455,-2.9893927646,0.0829354738,0.0829354738,GGA,P3,A8B6C30D7_hP51_143_2a2b4c_2ab3c_10d_3a4b:Li-Nb-O-Ti,51.0,"Invalid WP multiplicities - A8B6C30D7_hP51_143_2a2b4c_2ab3c_28d_3a4b:Li-Nb-O-Ti, expected Li8Ti7Nb6O84 to be Li8Ti7Nb6O30" +mp-774908,LiTiNbO4,-8.5901517614,-2.9197982231,0.1167067857,0.1167067857,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Nb-O-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h2i_c:Li-Nb-O-Ti, expected LiTiNbO10 to be LiTiNbO4" +mp-756684,Sr2Li2Nb3O10,-8.2008013941,-3.0850581663,0.0069275764,0.0069275764,GGA,Fmm2,A2B3C10D2_oF68_42_b_ac_2cde_c:Li-Nb-O-Sr,17.0,"Invalid WP multiplicities - A2B3C10D2_oF68_42_b_ac_4c2d4e_c:Li-Nb-O-Sr, expected Sr2Li2Nb3O28 to be Sr2Li2Nb3O10" +mp-1208770,Sr3Li6Nb2O11,-6.982327973,-2.839682361,0.0,-0.0124275511,GGA,Pmma,A6B2C11D3_oP44_51_g2k_af_fijkl_eh:Li-Nb-O-Sr,44.0,A6B2C11D3_oP44_51_g2k_af_fijkl_eh:Li-Nb-O-Sr +mp-772993,Li2Ti7Nb6O30,-9.1071894656,-3.1495276561,0.0750933407,0.0750933407,GGA,P3,A2B6C30D7_hP45_143_2a_2ab3c_10d_3a4b:Li-Nb-O-Ti,45.0,"Invalid WP multiplicities - A2B6C30D7_hP45_143_2a_2ab3c_28d_3a4b:Li-Nb-O-Ti, expected Li2Ti7Nb6O84 to be Li2Ti7Nb6O30" +mp-759382,Li2Ti7Nb6O30,-9.1277287082,-3.1700668987,0.054554098,0.054554098,GGA,P3,A2B6C30D7_hP45_143_ab_a3b2c_10d_4a3c:Li-Nb-O-Ti,45.0,"Invalid WP multiplicities - A2B6C30D7_hP45_143_ab_a3b2c_28d_4a3c:Li-Nb-O-Ti, expected Li2Ti7Nb6O84 to be Li2Ti7Nb6O30" +mp-16691,SrLi2Ti6O14,-8.7042432242,-3.3940722136,0.0,-0.0162269405,GGA,Cmce,A2B14CD6_oC184_64_g_2d2f5g_f_de2g:Li-O-Sr-Ti,92.0,"Invalid WP multiplicities - A2B14CD6_oC184_64_g_3d2f8g_f_d3e5g:Li-O-Sr-Ti, expected SrLi2Ti14O21 to be SrLi2Ti6O14" +mp-767392,Li7Ti7Nb5O30,-8.5416963624,-3.0817353273,0.0498426626,0.0498426626,GGA,P3,A7B5C30D7_hP49_143_2ab4c_ab3c_10d_3a4b:Li-Nb-O-Ti,49.0,"Invalid WP multiplicities - A7B5C30D7_hP49_143_2ab4c_ab3c_28d_3a4b:Li-Nb-O-Ti, expected Li7Ti7Nb5O84 to be Li7Ti7Nb5O30" +mp-1218661,Sr3TiNb4O15,-8.805508466300001,-3.2590074574,0.0481728972,0.0481728972,GGA,Pc,A4B15C3D_mP46_7_4a_15a_3a_a:Nb-O-Sr-Ti,46.0,"Invalid WP multiplicities - A4B15C3D_mP46_7_6a_29a_5a_a:Nb-O-Sr-Ti, expected Sr5TiNb6O29 to be Sr3TiNb4O15" +mp-756854,Sr2LiNb3O10,-8.4542027056,-3.1380332053,0.0427902139,0.0427902139,GGA,C2,AB3C10D2_mC32_5_a_bc_5c_c:Li-Nb-O-Sr,16.0,"Invalid WP multiplicities - AB3C10D2_mC32_5_a_bc_10c_c:Li-Nb-O-Sr, expected Sr2LiNb3O20 to be Sr2LiNb3O10" +mp-1177566,Li3Ti2NbO6,-7.9162275208,-2.8079616924,0.078193509,0.078193509,GGA,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Nb-O-Ti,12.0,"Invalid WP multiplicities - A3BC6D2_mC24_12_ai_d_5i_i:Li-Nb-O-Ti, expected Li3Ti2NbO10 to be Li3Ti2NbO6" +mp-1177875,Li2Ti3NbO8,-8.5962441929,-3.0834487276,0.0582724854,0.0582724854,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Li-Nb-O-Ti,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2ch_d:Li-Nb-O-Ti, expected Li2Ti3NbO10 to be Li2Ti3NbO8" +mp-775796,Li2Ti3NbO8,-8.5717462439,-3.0589507787,0.0827704343,0.0827704343,GGA,P6_3mc,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A2BC8D3_hP28_186_a2b_b_a2b9c_c:Li-Nb-O-Ti, expected Li3Ti3NbO30 to be Li2Ti3NbO8" +mp-776215,Li2Ti3NbO8,-8.5962915695,-3.0834961042,0.0582251087,0.0582251087,GGA,P4_332,A2BC8D3_cP56_212_c_a_ce_d:Li-Nb-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_212_c_a_8c9e_d:Li-Nb-O-Ti, expected Li2Ti3NbO70 to be Li2Ti3NbO8" +mp-772157,Li4Ti5Nb3O16,-8.5690616125,-2.9774871107000003,0.1116260002,0.1116260002,GGA,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_ab_8a6b_3a2b:Li-Nb-O-Ti, expected Li4Ti7Nb3O20 to be Li4Ti5Nb3O16" +mp-770800,Li4Ti3Nb5O16,-8.6072372407,-2.8581046658,0.116281563,0.116281563,GGA,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Nb-O-Ti, expected Li4Ti3Nb5O20 to be Li4Ti3Nb5O16" +mp-772710,Li2TiNb3O8,-8.6412132461,-2.8133016346,0.0989658143,0.0989658143,GGA,P1,A2B3C8D_aP56_1_8a_12a_32a_4a:Li-Nb-O-Ti,56.0,A2B3C8D_aP56_1_8a_12a_32a_4a:Li-Nb-O-Ti +mp-756660,Li4Ti3NbO8,-7.8851115187,-2.8228001283,0.0882470885,0.0882470885,GGA,R-3m,A4BC8D3_hR48_166_ae_b_ch_d:Li-Nb-O-Ti,16.0,"Invalid WP multiplicities - A4BC8D3_hR48_166_ae_b_2c2h_d:Li-Nb-O-Ti, expected Li4Ti3NbO16 to be Li4Ti3NbO8" +mp-1190404,Sr3LiNbO6,-7.3531858268,-3.1023821419,0.0,-0.0092170111,GGA,R-3c,ABC6D3_hR66_167_a_b_f_e:Li-Nb-O-Sr,22.0,ABC6D3_hR66_167_a_b_f_e:Li-Nb-O-Sr +mp-766433,Sr3Li4Nb6O20,-8.273441823,-3.0538728445,0.0305235418,0.0305235418,GGA,P1,A4B6C20D3_aP33_1_4a_6a_20a_3a:Li-Nb-O-Sr,33.0,A4B6C20D3_aP33_1_4a_6a_20a_3a:Li-Nb-O-Sr +mp-1218571,Sr3Li4Nb6O20,-8.2683141888,-3.0487452103,0.0356511761,0.0356511761,GGA,Amm2,A4B6C20D3_oC66_38_f_3a3b_4a4b3f_2ab:Li-Nb-O-Sr,33.0,A4B6C20D3_oC66_38_f_3a3b_4a4b3f_2ab:Li-Nb-O-Sr +mp-557857,SrLi2Nb2O7,-8.0438681117,-3.0158039245,0.0106559988,0.0106559988,GGA,Cmcm,A2B2C7D_oC48_63_e_g_c2eg_c:Li-Nb-O-Sr,24.0,"Invalid WP multiplicities - A2B2C7D_oC48_63_e_g_2c7e4g_c:Li-Nb-O-Sr, expected SrLi2Nb2O24 to be SrLi2Nb2O7" +mp-561294,SrLi2Nb2O7,-8.0381028408,-3.0100386537,0.0164212696,0.0164212696,GGA,I4/mmm,A2B2C7D_tI24_139_d_e_aeg_b:Li-Nb-O-Sr,12.0,"Invalid WP multiplicities - A2B2C7D_tI24_139_d_e_a2e3g_b:Li-Nb-O-Sr, expected SrLi2Nb2O17 to be SrLi2Nb2O7" +mp-1218495,Sr4Ti3Nb2O15,-8.6069996767,-3.4050250678,0.0301929121,0.0301929121,GGA,R-3m,A2B15C4D3_hR72_166_c_d2h_2c_ac:Nb-O-Sr-Ti,24.0,"Invalid WP multiplicities - A2B15C4D3_hR72_166_c_3d8h_3c_a2c:Nb-O-Sr-Ti, expected Sr6Ti5Nb2O57 to be Sr4Ti3Nb2O15" +mp-767498,Li10Ti11Nb6O42,-8.5414513594,-3.1166919832,0.0335492661,0.0335492661,GGA,P3,A10B6C42D11_hP69_143_3a3b4c_ab4c_14d_5a6b:Li-Nb-O-Ti,69.0,"Invalid WP multiplicities - A10B6C42D11_hP69_143_3a3b4c_ab4c_42d_5a6b:Li-Nb-O-Ti, expected Li10Ti11Nb6O126 to be Li10Ti11Nb6O42" +mp-767490,Li9Ti12NbO30,-8.3822798825,-3.1817380291,0.0180681156,0.0180681156,GGA,R3,A9BC30D12_hR156_146_9a_a_10b_12a:Li-Nb-O-Ti,52.0,"Invalid WP multiplicities - A9BC30D12_hR156_146_9a_a_30b_12a:Li-Nb-O-Ti, expected Li9Ti12NbO90 to be Li9Ti12NbO30" +mp-767497,Li9Ti7Nb5O30,-8.346704878,-3.0260002417,0.0540404882,0.0540404882,GGA,P3,A9B5C30D7_hP51_143_2a3b4c_ab3c_10d_4a3b:Li-Nb-O-Ti,51.0,"Invalid WP multiplicities - A9B5C30D7_hP51_143_2a3b4c_ab3c_28d_4a3b:Li-Nb-O-Ti, expected Li9Ti7Nb5O84 to be Li9Ti7Nb5O30" +mp-767393,Li15Ti11Nb5O42,-8.1769224515,-3.0570360644,0.0255597535,0.0255597535,GGA,P3,A15B5C42D11_hP73_143_4a4b7c_a4c_14d_5a6b:Li-Nb-O-Ti,73.0,"Invalid WP multiplicities - A15B5C42D11_hP73_143_4a4b7c_a4c_42d_5a6b:Li-Nb-O-Ti, expected Li15Ti11Nb5O126 to be Li15Ti11Nb5O42" +mp-767146,Li7Ti12NbO30,-8.560824904,-3.2286182911,0.0264849849,0.0264849849,GGA,R3,A7BC30D12_hR150_146_7a_a_10b_12a:Li-Nb-O-Ti,50.0,"Invalid WP multiplicities - A7BC30D12_hR150_146_7a_a_30b_12a:Li-Nb-O-Ti, expected Li7Ti12NbO90 to be Li7Ti12NbO30" +mp-1228238,Ba3TiFe2O9,-7.615142742,-2.6076322315,0.0051363303,-0.0092691058,GGA+U,P-3m1,A3B2C9D_hP30_164_c2d_abd_3i_d:Ba-Fe-O-Ti,30.0,A3B2C9D_hP30_164_c2d_abd_3i_d:Ba-Fe-O-Ti +mp-1228231,Ba3TiFe2O9,-7.6202790723,-2.6127685618000003,0.0,-0.0144054361,GGA+U,P6_3mc,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Fe-O-Ti,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_186_a4b_ab_5c_b:Ba-Fe-O-Ti, expected Ba5TiFe2O15 to be Ba3TiFe2O9" +mp-1018735,BaTi2As2O,-7.0277167,-1.6985692842,0.0,-0.0215710037,GGA,P4/mmm,A2BCD2_tP6_123_h_a_b_e:As-Ba-O-Ti,6.0,A2BCD2_tP6_123_h_a_b_e:As-Ba-O-Ti +mp-1103080,Ba2Ti2Fe2As4O,-6.4412971273,-0.972920885,0.2098722632,0.2098722632,GGA+U,I4/mmm,A4B2C2DE2_tI22_139_2e_e_d_a_c:As-Ba-Fe-O-Ti,11.0,A4B2C2DE2_tI22_139_2e_e_d_a_c:As-Ba-Fe-O-Ti +mp-1214314,BaTi(AsO4)2,-7.4218827967,-2.5296983419,0.0,-0.0098669692,GGA,C2/m,A2BC8D_mC24_12_i_a_2ij_c:As-Ba-O-Ti,12.0,A2BC8D_mC24_12_i_a_2ij_d:As-Ba-O-Ti +mp-15503,Ba4TiAs4,-4.9076984901,-1.1068245572,0.0,-0.0846942496,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:As-Ba-Ti,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_2e3i_ei_2ac:As-Ba-Ti, expected Ba16Ti5As44 to be Ba4TiAs4" +mp-1214656,Ba2Ti4Fe2O13,-8.4539721438,-2.8984048289,0.1999648814,0.1999648814,GGA+U,C2/m,A2B2C13D4_mC42_12_i_i_a6i_2i:Ba-Fe-O-Ti,21.0,A2B2C13D4_mC42_12_i_i_a6i_2i:Ba-Fe-O-Ti +mp-1228283,Ba3Ti(FeO4)2,-7.7303628525,-2.7185079277,0.0263136221,0.0263136221,GGA+U,Ama2,A3B2C8D_oC56_40_bc_c_2b3c_a:Ba-Fe-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_oC56_40_bc_c_4b12c_a:Ba-Fe-O-Ti, expected Ba3Ti(FeO14)2 to be Ba3Ti(FeO4)2" +mp-1227611,BaTi2Fe4O11,-8.3379657472,-2.4488757674,0.0701127008,0.0701127008,GGA+U,C2/c,AB4C11D2_mC72_15_e_cef_e5f_ad:Ba-Fe-O-Ti,36.0,"Invalid WP multiplicities - AB4C11D2_mC72_15_e_aef_2e15f_2b2c:Ba-Fe-O-Ti, expected BaTi4(FeO8)4 to be BaTi2Fe4O11" +mp-1227638,BaTi2Fe4O11,-8.3408804472,-2.4517904674,0.0671980008,0.0671980008,GGA+U,C2/c,AB4C11D2_mC72_15_e_acf_e5f_de:Ba-Fe-O-Ti,36.0,"Invalid WP multiplicities - AB4C11D2_mC72_15_e_2a2cf_2e15f_be:Ba-Fe-O-Ti, expected BaTi2(Fe3O16)2 to be BaTi2Fe4O11" +mp-1228536,Ba2TiFeO6,-7.8060521087,-2.8176925713000003,0.0151339411,0.0151339411,GGA+U,P3m1,A2BC6D_hP30_156_2a2b2c_a2b_6d_a2c:Ba-Fe-O-Ti,30.0,A2BC6D_hP30_156_2a2b2c_a2b_6d_a2c:Ba-Fe-O-Ti +mp-753243,Li6Fe5NiO12,-6.7409386433,-1.7849367906,0.0861451959,0.0861451959,GGA+U,C2,A5B6CD12_mC48_5_2a3b_3c_a_6c:Fe-Li-Ni-O,24.0,"Invalid WP multiplicities - A5B6CD12_mC48_5_2a3b_6c_a_11c:Fe-Li-Ni-O, expected Li12Fe5NiO22 to be Li6Fe5NiO12" +mp-765833,Li6Fe5NiO12,-6.7890413588000005,-1.833039506,0.0380424805,0.0380424805,GGA+U,C2/m,A5B6CD12_mC48_12_agh_ij_d_2i2j:Fe-Li-Ni-O,24.0,"Invalid WP multiplicities - A5B6CD12_mC48_12_agh_2ij_c_3i4j:Fe-Li-Ni-O, expected Li8Fe5NiO22 to be Li6Fe5NiO12" +mp-754094,Li3Fe3NiO8,-6.789942208,-1.690576968,0.037310396,0.037310396,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_af_ce_b_4i3j:Fe-Li-Ni-O, expected Li3Fe3NiO20 to be Li3Fe3NiO8" +mp-757161,Li3Fe3NiO8,-6.8087656327,-1.7094003927,0.0184869714,0.0184869714,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_2c2h:Fe-Li-Ni-O, expected Li3Fe3NiO16 to be Li3Fe3NiO8" +mp-753185,Li3Fe5(NiO6)2,-7.0158119777,-1.6068386802,0.0777380707,0.0777380707,GGA+U,C2,A5B3C2D12_mC44_5_a2bc_ac_ab_6c:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A5B3C2D12_mC44_5_a2bc_ac_ab_10c:Fe-Li-Ni-O, expected Li3Fe5(NiO10)2 to be Li3Fe5(NiO6)2" +mp-755008,Li2FeNiO4,-6.4119194525,-1.680074644,0.0420255264,0.0420255264,GGA+U,P2/m,AB2CD4_mP8_10_b_dh_c_mn:Fe-Li-Ni-O,8.0,AB2CD4_mP8_10_b_eg_c_mn:Fe-Li-Ni-O +mp-1274697,Li2FeNiO4,-6.4389282706,-1.7070834621,0.0150167082,0.0150167082,GGA+U,Imm2,AB2CD4_oI16_44_a_ab_b_2a2b:Fe-Li-Ni-O,16.0,AB2CD4_oI16_44_a_ab_b_2a2b:Fe-Li-Ni-O +mp-753050,Li2FeNiO4,-6.450234415,-1.7183896065000002,0.0037105639,0.0037105639,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Fe-Li-Ni-O,16.0,AB2CD4_tI16_119_a_bc_d_ef:Fe-Li-Ni-O +mp-754367,Li4Nb3Fe3(NiO8)2,-7.7071007618,-2.2050663705,0.1183883835,0.1183883835,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Fe-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Fe-Li-Nb-Ni-O, expected Li4Nb3Fe3(NiO10)2 to be Li4Nb3Fe3(NiO8)2" +mp-768591,Li4Nb3Fe5O16,-7.9700468193,-2.2758778187,0.0774659071,0.0774659071,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Fe-Li-Nb-O, expected Li4Nb3Fe7O20 to be Li4Nb3Fe5O16" +mp-754201,Li8Nb(FeO4)3,-6.663072195,-2.0737798559,0.0956909802,0.0956909802,GGA+U,P-1,A3B8CD12_aP24_2_abe_4i_h_6i:Fe-Li-Nb-O,24.0,"Invalid WP multiplicities - A3B8CD12_aP24_2_abe_7i_h_10i:Fe-Li-Nb-O, expected Li14NbFe3O20 to be Li8Nb(FeO4)3" +mp-758177,Li4Fe5(NiO6)2,-6.9611595328,-1.704362341,0.0558012494,0.0558012494,GGA+U,P2_1,A5B4C2D12_mP46_4_5a_4a_2a_12a:Fe-Li-Ni-O,46.0,"Invalid WP multiplicities - A5B4C2D12_mP46_4_10a_8a_3a_24a:Fe-Li-Ni-O, expected Li8Fe10(NiO8)3 to be Li4Fe5(NiO6)2" +mp-763729,Li3NbFe3O8,-7.5136439453,-2.1262008147,0.0913560422,0.0913560422,GGA+U,P-1,A3B3CD8_aP15_2_abc_def_g_4i:Fe-Li-Nb-O,15.0,"Invalid WP multiplicities - A3B3CD8_aP15_2_abc_def_g_7i:Fe-Li-Nb-O, expected Li3NbFe3O14 to be Li3NbFe3O8" +mp-772060,Li3NbFe3O8,-7.5094284507,-2.12198532,0.0955715368,0.0955715368,GGA+U,C2/m,A3B3CD8_mC30_12_bf_ce_a_2ij:Fe-Li-Nb-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_b2e_c2f_a_4i3j:Fe-Li-Nb-O, expected Li5Nb(FeO4)5 to be Li3NbFe3O8" +mp-753114,Li3NbFe3O8,-7.490592872,-2.1031497413,0.1144071155,0.1144071155,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Fe-Li-Nb-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_be_cf_a_4ij:Fe-Li-Nb-O, expected Li3Nb(FeO4)3 to be Li3NbFe3O8" +mp-757126,Li3NbFe3O8,-7.4749957107,-2.08755258,0.1300042768,0.1300042768,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Fe-Li-Nb-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_2c2h:Fe-Li-Nb-O, expected Li3NbFe3O16 to be Li3NbFe3O8" +mp-764250,Li4Nb3Fe2Ni3O16,-7.5699023179,-2.1639352312,0.0916819053,0.0916819053,GGA+U,P1,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Nb-Ni-O,28.0,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Nb-Ni-O +mp-761119,Li4Nb3Fe2Ni3O16,-7.5614728732,-2.1555057865,0.1001113499,0.1001113499,GGA+U,Cm,A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a4b:Fe-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a6b:Fe-Li-Nb-Ni-O, expected Li4Nb3Fe2Ni3O20 to be Li4Nb3Fe2Ni3O16" +mp-760174,Li7Fe4NiO12,-6.4275834383,-1.7449606833,0.0938945957,0.0938945957,GGA+U,P1,A4B7CD12_aP24_1_4a_7a_a_12a:Fe-Li-Ni-O,24.0,A4B7CD12_aP24_1_4a_7a_a_12a:Fe-Li-Ni-O +mp-759182,Li3Fe2Ni5O12,-6.4066841347,-1.3645132731,0.0741793962,0.0741793962,GGA+U,P1,A2B3C5D12_aP66_1_6a_9a_15a_36a:Fe-Li-Ni-O,66.0,A2B3C5D12_aP66_1_6a_9a_15a_36a:Fe-Li-Ni-O +mp-758641,Li4Fe2Ni5O12,-6.3868706937,-1.4809280058,0.0460466549,0.0460466549,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Fe-Li-Ni-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Fe-Li-Ni-O, expected Li8Fe3(Ni5O12)2 to be Li4Fe2Ni5O12" +mp-771319,Li5Fe2Ni5O12,-6.3654494638,-1.5843826017,0.0165756606,0.0165756606,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Fe-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a4c_a2bc_6c:Fe-Li-Ni-O, expected Li9Fe2Ni5O12 to be Li5Fe2Ni5O12" +mp-771236,Li5Fe5(NiO6)2,-6.9142656779,-1.7969632497,0.027467737,0.027467737,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Fe-Li-Ni-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Fe-Li-Ni-O, expected Li9Fe5(NiO6)2 to be Li5Fe5(NiO6)2" +mp-755337,Li4NbFe3O8,-7.3295647562,-2.1595291421,0.0562694309,0.0562694309,GGA+U,P1,A3B4CD8_aP16_1_3a_4a_a_8a:Fe-Li-Nb-O,16.0,A3B4CD8_aP16_1_3a_4a_a_8a:Fe-Li-Nb-O +mp-770958,Li4NbFe3O8,-7.339656115,-2.1696205008,0.0461780722,0.0461780722,GGA+U,C2/m,A3B4CD8_mC32_12_af_cde_b_2ij:Fe-Li-Nb-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2e_cd2f_b_4i3j:Fe-Li-Nb-O, expected Li6Nb(FeO4)5 to be Li4NbFe3O8" +mp-774943,Li2Fe3NiO8,-6.8406472043,-1.5133932233,0.0917844305,0.0917844305,GGA+U,P1,A3B2CD8_aP56_1_12a_8a_4a_32a:Fe-Li-Ni-O,56.0,A3B2CD8_aP56_1_12a_8a_4a_32a:Fe-Li-Ni-O +mp-767972,Li2Fe3NiO8,-6.4132058686,-1.0859518876,0.5192257662,0.5192257662,GGA+U,P-1,A3B2CD8_aP14_2_acd_bg_e_4i:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_aP14_2_acd_bg_e_7i:Fe-Li-Ni-O, expected Li2Fe3NiO14 to be Li2Fe3NiO8" +mp-1409449,Li2Fe3NiO8,-4.0127346464,1.3145193345,2.9196969884,2.9196969884,GGA+U,P-1,A3B2CD8_aP14_2_acd_bg_e_4i:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_aP14_2_acd_bg_e_7i:Fe-Li-Ni-O, expected Li2Fe3NiO14 to be Li2Fe3NiO8" +mp-1178127,Li2Fe3NiO8,-6.8453286389,-1.5180746580000002,0.0871029959,0.0871029959,GGA+U,P2_1,A3B2CD8_mP56_4_6a_4a_2a_16a:Fe-Li-Ni-O,56.0,A3B2CD8_aP56_1_12a_8a_4a_32a:Fe-Li-Ni-O +mp-753695,Li2Fe3NiO8,-6.739494415,-1.412240434,0.1929372198,0.1929372198,GGA+U,C2/m,A3B2CD8_mC28_12_ae_cd_b_2ij:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_c2e_ab_d_3i4j:Fe-Li-Ni-O, expected Li2Fe5NiO22 to be Li2Fe3NiO8" +mp-783903,Li2Fe3NiO8,-6.8496917439,-1.522437763,0.0827398909,0.0827398909,GGA+U,Cmc2_1,A3B2CD8_oC56_36_ab_2a_a_4a2b:Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B2CD8_oC56_36_a2b_3a_a_6a6b:Fe-Li-Ni-O, expected Li3Fe5NiO18 to be Li2Fe3NiO8" +mp-774837,Li2Fe3NiO8,-6.8026084091,-1.4753544282,0.1298232257,0.1298232257,GGA+U,P4_32_12,A3B2CD8_tP56_96_ab_b_a_4b:Fe-Li-Ni-O,56.0,"Invalid WP multiplicities - A3B2CD8_tP56_96_2a3b_b_a_29b:Fe-Li-Ni-O, expected Li2Fe8NiO58 to be Li2Fe3NiO8" +mp-756185,Li2Fe3NiO8,-6.7709768514,-1.4437228705,0.1614547834,0.1614547834,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Fe-Li-Ni-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Fe-Li-Ni-O +mp-775286,Li2Fe3NiO8,-6.8415058964,-1.5142519155,0.0909257384,0.0909257384,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2ch:Fe-Li-Ni-O, expected Li2Fe3NiO10 to be Li2Fe3NiO8" +mp-776112,Li2Fe3NiO8,-6.8966589971,-1.5694050162000002,0.0357726377,0.0357726377,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Fe-Li-Ni-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Fe-Li-Ni-O, expected Li2Fe3NiO70 to be Li2Fe3NiO8" +mp-774238,Li4Nb(FeO4)3,-6.8915467375,-1.7661805039,0.1438138377,0.1438138377,GGA+U,P2,A3B4CD12_mP20_3_abc_abcd_d_6e:Fe-Li-Nb-O,20.0,"Invalid WP multiplicities - A3B4CD12_mP20_3_abc_abcd_d_11e:Fe-Li-Nb-O, expected Li4NbFe3O22 to be Li4Nb(FeO4)3" +mp-772168,Li4Fe3Ni5O16,-6.3370842382,-1.2980321712,0.1154081303,0.1154081303,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Fe-Li-Ni-O, expected Li4Fe3(NiO4)5 to be Li4Fe3Ni5O16" +mp-753971,Li5Fe(Ni2O5)2,-6.105886959,-1.5757834902,0.0122330455,0.0122330455,GGA+U,R-3m,AB5C4D10_hR60_166_a_b2c_2c_5c:Fe-Li-Ni-O,20.0,"Invalid WP multiplicities - AB5C4D10_hR60_166_a_b3c_3c_9c:Fe-Li-Ni-O, expected Li7Fe(NiO3)6 to be Li5Fe(Ni2O5)2" +mp-758983,Li2Fe(NiO3)2,-6.3052723845,-1.4390657872,0.0470718034,0.0470718034,GGA+U,P-1,AB2C2D6_aP33_2_ai_3i_3i_9i:Fe-Li-Ni-O,33.0,"Invalid WP multiplicities - AB2C2D6_aP33_2_ai_5i_6i_18i:Fe-Li-Ni-O, expected Li10Fe3(NiO3)12 to be Li2Fe(NiO3)2" +mp-756434,Li2Fe(NiO3)2,-6.2602671027,-1.3940605054,0.0920770853,0.0920770853,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_64_a_e_d_2f3g:Fe-Li-Ni-O, expected Li2Fe(NiO8)2 to be Li2Fe(NiO3)2" +mp-759765,Li5FeNi3O8,-6.019349205,-1.6117871301000002,0.0664647265,0.0664647265,GGA+U,Cc,AB5C3D8_mC68_9_a_5a_3a_8a:Fe-Li-Ni-O,34.0,"Invalid WP multiplicities - AB5C3D8_mC68_9_a_9a_6a_15a:Fe-Li-Ni-O, expected Li9Fe(Ni2O5)3 to be Li5FeNi3O8" +mp-752655,Li4Nb2Fe3Ni3O16,-7.3292899475,-1.9815829976,0.0419782245,0.0419782245,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Fe-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Fe-Li-Nb-Ni-O, expected Li4Nb2Fe3Ni3O20 to be Li4Nb2Fe3Ni3O16" +mp-758854,Li4Fe3(NiO4)3,-6.4971443455,-1.5086702695,0.0598299677,0.0598299677,GGA+U,P-1,A3B4C3D12_aP22_2_ai_cei_di_6i:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A3B4C3D12_aP22_2_a2i_cei_d2i_12i:Fe-Li-Ni-O, expected Li4Fe5Ni5O24 to be Li4Fe3(NiO4)3" +mp-1177431,Li4Fe3(NiO4)3,-6.4848707414,-1.4963966654,0.0721035718,0.0721035718,GGA+U,F222,A3B4C3D12_oF88_22_ae_ej_cj_fi2k:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A3B4C3D12_oF88_22_ae_ej_cj_2f2i7k:Fe-Li-Ni-O, expected Li4Fe3(NiO12)3 to be Li4Fe3(NiO4)3" +mp-771052,Li10Fe3Ni7O20,-6.2213021078,-1.6239515257,0.0087595549,0.0087595549,GGA+U,P2/m,A3B10C7D20_mP40_10_bm_dh2m2n_cm2n_5m5n:Fe-Li-Ni-O,40.0,"Invalid WP multiplicities - A3B10C7D20_mP40_10_b2m_eg4m3n_c2m4n_10m9n:Fe-Li-Ni-O, expected Li16Fe5Ni13O38 to be Li10Fe3Ni7O20" +mp-755275,LiFeNiO4,-6.5722679829,-1.4371486112,0.0417317385,0.0417317385,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h3i:Fe-Li-Ni-O, expected LiFeNiO10 to be LiFeNiO4" +mp-753174,LiFeNiO4,-6.526161515,-1.3910421433,0.0878382064,0.0878382064,GGA+U,Imma,ABCD4_oI28_74_c_a_b_hi:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_c_a_b_3h4i:Fe-Li-Ni-O, expected LiFeNiO14 to be LiFeNiO4" +mp-776318,Li2FeNi3O8,-6.2697784677,-1.3267937053,0.0212065479,0.0212065479,GGA+U,P1,AB2C3D8_aP56_1_4a_8a_12a_32a:Fe-Li-Ni-O,56.0,AB2C3D8_aP56_1_4a_8a_12a_32a:Fe-Li-Ni-O +mp-753978,Li2FeNi3O8,-6.2270409707,-1.2840562083,0.0639440449,0.0639440449,GGA+U,C2/m,AB2C3D8_mC28_12_a_f_be_2ij:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_mC28_12_a_e_bf_3i2j:Fe-Li-Ni-O, expected Li2FeNi3O14 to be Li2FeNi3O8" +mp-772596,Li2FeNi3O8,-6.2355302771,-1.2925455148,0.0554547384,0.0554547384,GGA+U,Cmc2_1,AB2C3D8_oC56_36_a_2a_ab_4a2b:Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - AB2C3D8_mC56_9_a_3a_5a_14a:Fe-Li-Ni-O, expected Li3FeNi5O14 to be Li2FeNi3O8" +mp-768413,Li2FeNi3O8,-6.2557685057,-1.3127837433,0.0352165099,0.0352165099,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Fe-Li-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2ch:Fe-Li-Ni-O, expected Li2FeNi3O10 to be Li2FeNi3O8" +mp-772095,Li2FeNi3O8,-6.205388995,-1.2624042326,0.0855960206,0.0855960206,GGA+U,P6_3mc,AB2C3D8_hP28_186_b_ab_c_ab2c:Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - AB2C3D8_hP28_186_b_a2b_c_a2b9c:Fe-Li-Ni-O, expected Li3Fe(NiO10)3 to be Li2FeNi3O8" +mp-757010,Li3Fe(NiO2)4,-6.3364672488,-1.53078936,0.0095979484,0.0095979484,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Fe-Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_c2e_bdf_3i2j:Fe-Li-Ni-O, expected Li5Fe(Ni2O7)2 to be Li3Fe(NiO2)4" +mp-757287,Li3Fe(Ni2O5)2,-6.1270591219,-1.305713364,0.0758063356,0.0758063356,GGA+U,P2/m,AB3C4D10_mP36_10_bd_ch2m_2m2n_5m5n:Fe-Li-Ni-O,36.0,"Invalid WP multiplicities - AB3C4D10_mP36_10_bg_ce3m_3m2n_8m8n:Fe-Li-Ni-O, expected Li4FeNi5O16 to be Li3Fe(Ni2O5)2" +mp-752981,Li3Fe2Ni3O10,-6.3606942106,-1.3899104232,0.0934049071,0.0934049071,GGA+U,P1,A2B3C3D10_aP18_1_2a_3a_3a_10a:Fe-Li-Ni-O,18.0,A2B3C3D10_aP18_1_2a_3a_3a_10a:Fe-Li-Ni-O +mp-756149,Li3Nb4FeO12,-8.4391022455,-2.7409885203,0.0511036889,0.0511036889,GGA+U,P1,AB3C4D12_aP20_1_a_3a_4a_12a:Fe-Li-Nb-O,20.0,AB3C4D12_aP20_1_a_3a_4a_12a:Fe-Li-Nb-O +mp-758623,Li6FeNi9O20,-6.0303110503,-1.2836843071,0.046925893,0.046925893,GGA+U,P-1,AB6C9D20_aP36_2_b_ch2i_d4i_10i:Fe-Li-Ni-O,36.0,"Invalid WP multiplicities - AB6C9D20_aP36_2_b_ch3i_d7i_18i:Fe-Li-Ni-O, expected Li8Fe(Ni5O12)3 to be Li6FeNi9O20" +mp-773709,Li3Fe(NiO3)2,-6.2540352883,-1.6342690019,0.0133402603,0.0133402603,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Fe-Li-Ni-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_di_i_5i:Fe-Li-Ni-O, expected Li3Fe(NiO5)2 to be Li3Fe(NiO3)2" +mp-756145,Li4NbFe5O12,-7.4426299995,-2.0132042227,0.1051004284,0.1051004284,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Fe-Li-Nb-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2g2h_j_c_3i4j:Fe-Li-Nb-O, expected Li4NbFe9O22 to be Li4NbFe5O12" +mp-755981,Li4Fe3NiO8,-6.5316738062,-1.6317112146,0.2021253179,0.2021253179,GGA+U,P-1,A3B4CD8_aP16_2_acd_bfgh_e_4i:Fe-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_acd_bfgh_e_8i:Fe-Li-Ni-O, expected Li4Fe3NiO16 to be Li4Fe3NiO8" +mp-769856,Li4Fe3NiO8,-6.7255467338,-1.8255841421,0.0082523904,0.0082523904,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Fe-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_hR48_166_d_ae_b_2c2h:Fe-Li-Ni-O, expected Li4Fe3NiO16 to be Li4Fe3NiO8" +mp-759197,Li8FeNi9O20,-6.0170645708,-1.4197906632,0.0233757617,0.0233757617,GGA+U,P-1,AB8C9D20_aP38_2_b_ch3i_d4i_10i:Fe-Li-Ni-O,38.0,"Invalid WP multiplicities - AB8C9D20_aP38_2_b_ch5i_d7i_18i:Fe-Li-Ni-O, expected Li12Fe(Ni5O12)3 to be Li8FeNi9O20" +mp-753275,Li3FeNi3O8,-6.2095281253,-1.468814156,0.0206821049,0.0206821049,GGA+U,C2/m,AB3C3D8_mC30_12_b_cf_ae_2ij:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_a_c2e_bf_4i3j:Fe-Li-Ni-O, expected Li5FeNi3O20 to be Li3FeNi3O8" +mp-756498,Li3FeNi3O8,-6.1937417513,-1.453027782,0.0364684789,0.0364684789,GGA+U,R-3m,AB3C3D8_hR45_166_a_d_e_ch:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_d_e_2c2h:Fe-Li-Ni-O, expected Li3FeNi3O16 to be Li3FeNi3O8" +mp-761063,Li3FeNi3O8,-6.1732997007,-1.4325857313,0.0569105296,0.0569105296,GGA+U,P6_3mc,AB3C3D8_hP30_186_b_c_c_ab2c:Fe-Li-Ni-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_186_b_c_c_a2b10c:Fe-Li-Ni-O, expected Li3Fe(NiO11)3 to be Li3FeNi3O8" +mp-1406778,Li4FeNi3O8,-3.8867968619,0.6769301635,2.2872939717,2.2872939717,GGA+U,P-1,AB4C3D8_aP16_2_a_bfgh_cde_4i:Fe-Li-Ni-O,16.0,"Invalid WP multiplicities - AB4C3D8_aP16_2_a_bfgh_cde_7i:Fe-Li-Ni-O, expected Li4FeNi3O14 to be Li4FeNi3O8" +mp-771042,Li6Nb3Fe3O16,-7.5082129521,-2.2826938332,0.1174831723,0.1174831723,GGA+U,Cm,A3B6C3D16_mC56_8_ab_6a_ab_8a4b:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B6C3D16_mC56_8_ab_6a_ab_8a6b:Fe-Li-Nb-O, expected Li6Nb3Fe3O20 to be Li6Nb3Fe3O16" +mp-758197,Li2Fe2NiO6,-6.6399267621,-1.5291852075,0.1195437818,0.1195437818,GGA+U,C2/m,A2B2CD6_mC66_12_ij_hj_ag_3i3j:Fe-Li-Ni-O,33.0,"Invalid WP multiplicities - A2B2CD6_mC66_12_ij_h2j_a2g_6i8j:Fe-Li-Ni-O, expected Li10Fe6Ni5O44 to be Li2Fe2NiO6" +mp-777153,Li2Fe2NiO6,-6.6389117591,-1.5281702045,0.1205587848,0.1205587848,GGA+U,Cmce,A2B2CD6_oC44_64_d_e_a_fg:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A2B2CD6_oC44_64_d_e_a_2f3g:Fe-Li-Ni-O, expected Li2Fe2NiO16 to be Li2Fe2NiO6" +mp-767955,Li3Fe2(NiO4)2,-6.4942342833,-1.5741946787,0.0360238489,0.0360238489,GGA+U,P-1,A2B3C2D8_aP15_2_bf_deg_ac_4i:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_bf_deg_ac_7i:Fe-Li-Ni-O, expected Li3Fe2(NiO7)2 to be Li3Fe2(NiO4)2" +mp-753582,Li3Fe2(NiO4)2,-6.4390462433,-1.5190066387,0.0912118889,0.0912118889,GGA+U,C2/m,A2B3C2D8_mC30_12_ac_bf_e_2ij:Fe-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B3C2D8_mC30_12_bc_a2e_f_4i3j:Fe-Li-Ni-O, expected Li5Fe2(NiO10)2 to be Li3Fe2(NiO4)2" +mp-769502,Li4Nb2Fe3O10,-7.7490040213,-2.3429381114,0.0331556793,0.0331556793,GGA+U,P-1,A3B4C2D10_aP19_2_ai_2i_i_5i:Fe-Li-Nb-O,38.0,"Invalid WP multiplicities - A3B4C2D10_aP19_2_2a2i_2i_i_5i:Fe-Li-Nb-O, expected Li2NbFe3O5 to be Li4Nb2Fe3O10" +mp-1305525,Li5Nb2Fe3O10,-7.5214473343,-2.2902385765,0.0737147002,0.0737147002,GGA+U,P1,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Nb-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_2b2i_e2i_i_5i:Fe-Li-Nb-O, expected Li5Nb2(Fe3O5)2 to be Li5Nb2Fe3O10" +mp-754582,Li5Nb2Fe3O10,-7.522058733,-2.2908499752,0.0731033014,0.0731033014,GGA+U,P-1,A3B5C2D10_aP20_2_bi_e2i_i_5i:Fe-Li-Nb-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_2b2i_e2i_i_5i:Fe-Li-Nb-O, expected Li5Nb2(Fe3O5)2 to be Li5Nb2Fe3O10" +mp-776115,Li2NbFe3O8,-7.7978516546,-2.1619427908,0.0473818353,0.0473818353,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Fe-Li-Nb-O,28.0,A3B2CD8_hR42_166_d_c_a_ch:Fe-Li-Nb-O +mp-775011,Li2NbFe3O8,-7.81929856,-2.1833896962,0.0259349299,0.0259349299,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Fe-Li-Nb-O, expected Li3Nb(FeO10)3 to be Li2NbFe3O8" +mp-760364,Li2NbFe3O8,-7.7961281063,-2.1602192424,0.0491053837,0.0491053837,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Fe-Li-Nb-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Fe-Li-Nb-O, expected Li2NbFe3O70 to be Li2NbFe3O8" +mp-752667,Li6NbFe5O12,-7.1970388633,-2.060988329,0.0647350179,0.0647350179,GGA+U,Cm,A5B6CD12_mC48_8_a2b_2a2b_a_4a4b:Fe-Li-Nb-O,24.0,"Invalid WP multiplicities - A5B6CD12_mC48_8_a3b_2a4b_a_4a8b:Fe-Li-Nb-O, expected Li10NbFe7O20 to be Li6NbFe5O12" +mp-1306620,LiNbFeO4,-8.2078196404,-2.455390503,0.0410804161,0.0397118125,GGA+U,C2/c,ABCD4_mC56_15_ce_f_f_4f:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_mC56_15_2c2e_f_f_9f:Fe-Li-Nb-O, expected LiNbFe2O9 to be LiNbFeO4" +mp-1306952,LiNbFeO4,-8.1949245296,-2.4424953923,0.0539755268,0.0526069232,GGA+U,C2/c,ABCD4_mC56_15_ab_f_ce_4f:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_mC56_15_cd_f_ae_9f:Fe-Li-Nb-O, expected LiNbFeO9 to be LiNbFeO4" +mp-1274978,LiNbFeO4,-8.2034905461,-2.4510614087,0.0454095104,0.0440409068,GGA+U,I2_12_12_1,ABCD4_oI28_24_a_b_c_2d:Fe-Li-Nb-O,28.0,ABCD4_mC28_5_c_ab_c_4c:Fe-Li-Nb-O +mp-1303296,LiNbFeO4,-8.2091898232,-2.4567606858,0.0397102332,0.0383416296,GGA+U,Pnma,ABCD4_oP28_62_a_c_c_2cd:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_a_c_c_5cd:Fe-Li-Nb-O, expected LiNbFeO7 to be LiNbFeO4" +mp-754546,LiNbFeO4,-8.1928659307,-2.4404367933,0.0560341257,0.0546655221,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Fe-Li-Nb-O,14.0,ABCD4_oI28_74_a_e_c_hi:Fe-Li-Nb-O +mp-756415,LiNbFeO4,-8.2489000564,-2.496470919,0.0,-0.0013686036,GGA+U,P4_322,ABCD4_tP28_95_c_a_b_2d:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_c_a_b_3d:Fe-Li-Nb-O, expected LiNbFeO6 to be LiNbFeO4" +mp-771892,LiNbFeO4,-8.2433779575,-2.4909488201,0.0055220989,0.0041534954,GGA+U,P4_322,ABCD4_tP28_95_a_b_c_2d:Fe-Li-Nb-O,28.0,ABCD4_tP28_95_a_b_c_2d:Fe-Li-Nb-O +mp-753638,Li3Nb2Fe3O10,-7.9267595689,-2.3264079343,0.0538487922,0.0538487922,GGA+U,P1,A3B3C2D10_aP18_1_3a_3a_2a_10a:Fe-Li-Nb-O,18.0,A3B3C2D10_aP18_1_3a_3a_2a_10a:Fe-Li-Nb-O +mp-769877,Li7Nb2Fe3O16,-6.9595756,-2.0266415587,0.1141352372,0.1141352372,GGA+U,P1,A3B7C2D16_aP28_1_3a_7a_2a_16a:Fe-Li-Nb-O,28.0,A3B7C2D16_aP28_1_3a_7a_2a_16a:Fe-Li-Nb-O +mp-754259,Li7Nb2Fe3O16,-6.9453885986,-2.0124545573,0.1283222386,0.1283222386,GGA+U,Cm,A3B7C2D16_mC56_8_ab_5ab_2a_8a4b:Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B7C2D16_mC56_8_ab_5a2b_2a_8a6b:Fe-Li-Nb-O, expected Li9Nb2Fe3O20 to be Li7Nb2Fe3O16" +mp-756803,Li3Fe4NiO8,-7.0895547038,-1.7795234656,0.0278555197,0.0278555197,GGA+U,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Fe-Li-Ni-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ace_d2f_b_3i2j:Fe-Li-Ni-O, expected Li5Fe4NiO14 to be Li3Fe4NiO8" +mp-757135,Li3Fe2NiO6,-6.6306608350000005,-1.7867375044,0.009853574,0.009853574,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Fe-Li-Ni-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_d_5i:Fe-Li-Ni-O, expected Li3Fe2NiO10 to be Li3Fe2NiO6" +mp-772705,Li5Nb2Fe5O12,-7.6159695563,-2.1385697647,0.0784172216,0.0784172216,GGA+U,P1,A5B5C2D12_aP24_1_5a_5a_2a_12a:Fe-Li-Nb-O,24.0,A5B5C2D12_aP24_1_5a_5a_2a_12a:Fe-Li-Nb-O +mp-756267,Li5Nb2Fe5O12,-7.5796605887,-2.1022607972,0.1147261891,0.1147261891,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Fe-Li-Nb-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Fe-Li-Nb-O, expected Li9Nb2Fe5O12 to be Li5Nb2Fe5O12" +mp-756815,Li4Fe5Ni3O16,-6.6487935829,-1.4176069065,0.1245338706,0.1245338706,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Fe-Li-Ni-O, expected Li4Fe7Ni3O20 to be Li4Fe5Ni3O16" +mp-759370,Li8Fe3Ni7O20,-6.2558020382,-1.5169552606,0.0227155458,0.0227155458,GGA+U,P2/m,A3B8C7D20_mP38_10_bm_dhm2n_cm2n_5m5n:Fe-Li-Ni-O,38.0,"Invalid WP multiplicities - A3B8C7D20_mP38_10_b2m_eg2m4n_c2m3n_9m9n:Fe-Li-Ni-O, expected Li14Fe5Ni11O36 to be Li8Fe3Ni7O20" +mp-754035,Li4Fe2Ni3O10,-6.3365332805,-1.5269000679,0.0610229292,0.0610229292,GGA+U,P-1,A2B4C3D10_aP19_2_i_2i_ai_5i:Fe-Li-Ni-O,19.0,"Invalid WP multiplicities - A2B4C3D10_aP19_2_i_3i_ai_9i:Fe-Li-Ni-O, expected Li6Fe2(NiO6)3 to be Li4Fe2Ni3O10" +mp-893545,Li4Fe2Ni3O10,-3.6619615342,1.1476716784,2.7355946755,2.7355946755,GGA+U,P-1,A2B4C3D10_aP19_2_i_2i_ai_5i:Fe-Li-Ni-O,19.0,"Invalid WP multiplicities - A2B4C3D10_aP19_2_i_3i_ai_9i:Fe-Li-Ni-O, expected Li6Fe2(NiO6)3 to be Li4Fe2Ni3O10" +mp-752964,Li4Fe3(NiO5)2,-6.5639530389,-1.6127469564,0.0680724906,0.0680724906,GGA+U,P1,A3B4C2D10_aP19_1_3a_4a_2a_10a:Fe-Li-Ni-O,19.0,A3B4C2D10_aP19_1_3a_4a_2a_10a:Fe-Li-Ni-O +mp-753897,Li2Nb2Fe3O10,-8.1254696682,-2.307975165,0.0758071691,0.0758071691,GGA+U,P1,A3B2C2D10_aP17_1_3a_2a_2a_10a:Fe-Li-Nb-O,17.0,A3B2C2D10_aP17_1_3a_2a_2a_10a:Fe-Li-Nb-O +mp-755202,Li4Fe5NiO12,-6.8544270932,-1.6214180599,0.1075396815,0.1075396815,GGA+U,C2,A5B4CD12_mC44_5_2a3b_2c_a_6c:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_5_2a3b_2c_a_11c:Fe-Li-Ni-O, expected Li4Fe5NiO22 to be Li4Fe5NiO12" +mp-1177537,Li4Fe5NiO12,-6.8733898273000005,-1.640380794,0.0885769474,0.0885769474,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Fe-Li-Ni-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2gh_j_c_4i5j:Fe-Li-Ni-O, expected Li4Fe7NiO28 to be Li4Fe5NiO12" +mp-769545,Li10FeNi9O20,-5.9955272125,-1.532670857,0.0106511339,0.0106511339,GGA+U,P-1,AB10C9D20_aP40_2_b_ch4i_d4i_10i:Fe-Li-Ni-O,40.0,"Invalid WP multiplicities - AB10C9D20_aP40_2_b_ch6i_d7i_17i:Fe-Li-Ni-O, expected Li14FeNi15O34 to be Li10FeNi9O20" +mp-1177575,Li3Nb(FeO2)4,-7.6398627844,-2.0597585237,0.0401857092,0.0401857092,GGA+U,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Fe-Li-Nb-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ade_cf_b_4i2j:Fe-Li-Nb-O, expected Li3Nb(FeO4)4 to be Li3Nb(FeO2)4" +mp-20437,Sr2SmCu3(PbO4)2,-6.2633220994,-2.0511972943,0.0207838728,0.0207838728,GGA,P4/mmm,A3B8C2DE2_tP16_123_ah_ghi_h_b_g:Cu-O-Pb-Sm-Sr,16.0,"Invalid WP multiplicities - A3B8C2DE2_tP16_123_ah_2ghi_h_b_g:Cu-O-Pb-Sm-Sr, expected Sr2SmCu3(PbO5)2 to be Sr2SmCu3(PbO4)2" +mp-20637,SmCuPb,-4.5815336833,-0.4047203917,0.0,-0.0436751818,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Pb-Sm,6.0,ABC_hP6_186_b_b_a:Cu-Pb-Sm +mp-1077744,SmCuPb,-4.54142869,-0.3646153983,0.0401049933,-0.0035701885,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Pb-Sm,6.0,ABC_hP6_194_c_d_a:Cu-Pb-Sm +mp-1209722,Sm5CuPb3,-4.8066705883,-0.4922174156,0.0079535869,0.0079535869,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Pb-Sm,18.0,AB3C5_hP18_193_b_g_dg:Cu-Pb-Sm +mp-1227776,BaSrLa4O8,-8.0751325532,-3.580417803,0.0346956772,0.0346956772,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-La-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-La-O-Sr +mp-1208818,Sr2LaBeO5,-7.2435231139,-3.1559841769,0.0085555852,0.0085555852,GGA,Pnma,ABC5D2_oP36_62_c_c_3cd_d:Be-La-O-Sr,36.0,ABC5D2_oP36_62_c_c_3cd_d:Be-La-O-Sr +mp-1227956,BaSrLa4Be2O10,-7.9339692669,-3.4729576194,0.0367841782,0.0367841782,GGA,P2_1,AB2C4D10E_mP36_4_a_2a_4a_10a_a:Ba-Be-La-O-Sr,36.0,"Invalid WP multiplicities - AB2C4D10E_mP36_4_a_4a_6a_20a_a:Ba-Be-La-O-Sr, expected BaSrLa6Be4O20 to be BaSrLa4Be2O10" +mp-1218277,SrLa2BeO5,-7.9724076864,-3.5241450103,0.0070704047,0.0070704047,GGA,Pna2_1,AB2C5D_oP36_33_a_2a_5a_a:Be-La-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_33_a_2a_10a_a:Be-La-O-Sr, expected SrLa2BeO10 to be SrLa2BeO5" +mp-18414,BaLa2BeO5,-7.9620287992,-3.4882681801,0.0,-0.0117585942,GGA,P2_1/c,ABC2D5_mP36_14_e_e_2e_5e:Ba-Be-La-O,36.0,"Invalid WP multiplicities - ABC2D5_mP36_14_e_e_3e_11e:Ba-Be-La-O, expected BaLa3BeO11 to be BaLa2BeO5" +mp-554410,Ba2LaRuO6,-7.552541685,-2.7796925057,0.001492497,-0.0371932084,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-La-O-Ru,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-La-O-Ru +mp-12911,Ba2LaRuO6,-7.554034182,-2.7811850027,0.0,-0.0386857054,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Ru,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Ru +mp-1215053,Ba4La(RuO4)3,-7.4728281917,-2.4830592407,0.0035614594,0.0035614594,GGA,C2/m,A4BC12D3_mC40_12_2i_a_2i2j_di:Ba-La-O-Ru,60.0,"Invalid WP multiplicities - A4BC12D3_mC40_12_3i_a_5i5j_2di:Ba-La-O-Ru, expected Ba6La(Ru2O15)2 to be Ba4La(RuO4)3" +mp-558624,Ba3LaRu2O9,-7.5032958317,-2.5858334712,0.0,-0.0020493406,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-La-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_194_2b2f_a_5h5k_f:Ba-La-O-Ru, expected Ba6LaRu2O45 to be Ba3LaRu2O9" +mp-1228246,Ba3LaIrRuO9,-7.4300593047,-2.5416615016,0.0,-0.0009941858,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_b_a_3c_b:Ba-Ir-La-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_b_a_5c_b:Ba-Ir-La-O-Ru, expected Ba5LaIrRuO15 to be Ba3LaIrRuO9" +mp-936504,Ca(La2Se3)4,-6.2557783538,-2.2822262371,0.0726549902,0.0100321141,GGA,P1,AB8C12_aP42_1_2a_16a_24a:Ca-La-Se,42.0,"Invalid WP multiplicities - AB8C12_mC84_9_a_16a_24a:Ca-La-Se, expected Ca(La2Se3)8 to be Ca(La2Se3)4" +mp-674712,Ca(La2Se3)4,-6.3284333440000005,-2.3548812273,0.0,-0.0626228761,GGA,Cc,AB8C12_mC84_9_a_8a_12a:Ca-La-Se,42.0,"Invalid WP multiplicities - AB8C12_mC84_9_a_16a_24a:Ca-La-Se, expected Ca(La2Se3)8 to be Ca(La2Se3)4" +mp-1521407,NaCaLaSeO6,-6.530927692,-2.3869100896,0.1614453189,0.1614453189,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-La-Na-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-La-Na-O-Se +mp-556645,RbNbAsClO5,-7.0349192156,-2.3323705785,0.0,-0.0375850583,GGA,P4/nmm,ABCD5E_tP18_129_a_c_c_ci_b:As-Cl-Nb-O-Rb,18.0,ABCD5E_tP18_129_a_c_c_ci_b:As-Cl-Nb-O-Rb +mp-728976,Rb2Nb3Cl7O5,-6.5626148994,-2.4486041088,0.0127534688,-0.0315973688,GGA,P1,A7B3C5D2_aP34_1_14a_6a_10a_4a:Cl-Nb-O-Rb,34.0,"Invalid WP multiplicities - A7B3C5D2_mC68_9_14a_6a_10a_3a:Cl-Nb-O-Rb, expected Rb3Nb6(Cl7O5)2 to be Rb2Nb3Cl7O5" +mp-558393,Rb2Nb3Cl7O5,-6.5753683682,-2.4613575776,0.0,-0.0443508377,GGA,C2/c,A7B3C5D2_mC68_15_e3f_ef_a2f_f:Cl-Nb-O-Rb,34.0,"Invalid WP multiplicities - A7B3C5D2_mC68_15_2e8f_2e2f_2c5f_f:Cl-Nb-O-Rb, expected RbNb3(Cl3O2)3 to be Rb2Nb3Cl7O5" +mp-38347,Ca(Pr2Se3)4,-6.0615258388,-2.1470599506,0.0160791905,0.0160791905,GGA,Cc,AB8C12_mC84_9_a_8a_12a:Ca-Pr-Se,42.0,"Invalid WP multiplicities - AB8C12_mC84_9_a_16a_24a:Ca-Pr-Se, expected Ca(Pr2Se3)8 to be Ca(Pr2Se3)4" +mp-1220945,NaPr2Se3,-5.5244919933,-1.9624801206,0.0,-0.0006422383,GGA,Immm,AB2C3_oI12_71_a_e_cf:Na-Pr-Se,6.0,AB2C3_oI12_71_a_e_cf:Na-Pr-Se +mp-34713,Na(Pr2Se3)4,-5.993227341,-2.111288814,0.0027006997,0.0027006997,GGA,I-42d,AB8C12_tI84_122_a_cde_3e:Na-Pr-Se,42.0,"Invalid WP multiplicities - AB8C12_tI84_122_a_4c3d4e_15e:Na-Pr-Se, expected Na(PrSe2)30 to be Na(Pr2Se3)4" +mp-1519049,NaCaPrSeO6,-6.461523235,-2.3330157676,0.1805780296,0.1805780296,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ca-Na-O-Pr-Se,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ca-Na-O-Pr-Se +mp-1210478,NaPr(SeO5)2,-5.8763306614,-1.407606296,0.284302263,0.284302263,GGA,P2_1/c,AB10CD2_mP56_14_e_10e_e_2e:Na-O-Pr-Se,56.0,AB10CD2_mP56_14_e_10e_e_2e:Na-O-Pr-Se +mp-999461,NaPrSe2,-5.1803830625,-1.9065695616,0.0,-0.0937842414,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Pr-Se,4.0,ABC2_hR12_166_a_b_c:Na-Pr-Se +mp-560898,NaPr(SeO4)2,-6.36295696,-1.9738933189,0.0,-0.1255021677,GGA,P-1,AB8CD2_aP24_2_i_8i_i_2i:Na-O-Pr-Se,24.0,"Invalid WP multiplicities - AB8CD2_aP24_2_i_16i_i_3i:Na-O-Pr-Se, expected NaPrSe3O16 to be NaPr(SeO4)2" +mp-1518145,SrEuZrSbO6,-8.340381713,-2.9100487739,0.184962813,0.184962813,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Zr +mp-1227138,CaSmCrO4,-8.3249102971,-3.15862625,0.0517291439,0.0517291439,GGA+U,Cmc2_1,ABC4D_oC28_36_a_a_2ab_a:Ca-Cr-O-Sm,14.0,"Invalid WP multiplicities - ABC4D_oC28_36_a_a_4ab_a:Ca-Cr-O-Sm, expected CaSmCrO6 to be CaSmCrO4" +mp-1522389,CaSmCr4O12,-7.9377648117,-2.1212847878,0.2912056778,0.2912056778,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Cr-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Cr-O-Sm, expected CaSmCr4O18 to be CaSmCr4O12" +mp-1147552,SrNb2CuO7,-8.2108286618,-2.7000894634,0.1214473336,0.1214473336,GGA,I-4m2,AB2C7D_tI22_119_c_e_ae2f_b:Cu-Nb-O-Sr,11.0,"Invalid WP multiplicities - AB2C7D_tI22_119_c_e_a2e2f_b:Cu-Nb-O-Sr, expected SrNb2CuO9 to be SrNb2CuO7" +mp-16786,Sr2EuNb(CuO4)2,-7.6979926829,-2.5901914845,0.0182817648,0.0182817648,GGA,I4/mcm,A2BCD8E2_tI56_140_f_b_c_fhl_g:Cu-Eu-Nb-O-Sr,28.0,A2BCD8E2_tI56_140_f_b_c_fhl_g:Cu-Eu-Nb-O-Sr +mp-1218633,Sr3Nb2CuO9,-7.8698854353,-2.9438524013,0.0373246937,0.0373246937,GGA,C2/m,AB2C9D3_mC30_12_c_i_beij_ai:Cu-Nb-O-Sr,15.0,"Invalid WP multiplicities - AB2C9D3_mC30_12_c_i_a2fi3j_b2i:Cu-Nb-O-Sr, expected Sr5Nb2CuO19 to be Sr3Nb2CuO9" +mp-1516290,Sr2NbCuO6,-7.360611289,-2.6346482006,0.056184576,0.056184576,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cu-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cu-Nb-O-Sr +mp-1079926,La2ZrNiO6,-8.533204111,-3.1452057322,0.2178443018,0.2178443018,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Zr +mp-1220787,NaLaZr2O6,-8.849133365,-3.5457267724,0.0389939705,0.0389939705,GGA,Imm2,ABC6D2_oI20_44_a_b_abe_c:La-Na-O-Zr,10.0,ABC6D2_oI20_44_a_b_abe_c:La-Na-O-Zr +mp-1518296,NaLaZr2O6,-8.71358962,-3.4101830274,0.1745377155,0.1745377155,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Zr +mp-1097510,Mn2NbGa,-5.0824619375,2.7808959742,2.9572625154,2.9572625154,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Mn-Nb,4.0,AB2C_oI8_71_a_e_b:Ga-Mn-Nb +mp-1185972,Mn2NbGa,-8.031042325,-0.1676844133,0.0086821279,0.0086821279,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Mn-Nb,4.0,AB2C_cF16_225_a_c_b:Ga-Mn-Nb +mp-1229284,Eu8Mn3Nb5O28,-9.8465389598,-3.0611782918,0.0,-0.0233227144,GGA+U,C2,A8B3C5D28_mC88_5_4c_a2b_a2c_14c:Eu-Mn-Nb-O,44.0,A8B3C5D28_mC88_5_4c_a2b_a2c_14c:Eu-Mn-Nb-O +mp-1228419,BaLa4(CoO3)5,-7.6920235448,-2.4358266247,0.0594690494,0.0594690494,GGA+U,C2/c,AB5C4D15_mC100_15_e_a2f_2f_e7f:Ba-Co-La-O,50.0,"Invalid WP multiplicities - AB5C4D15_mC100_15_e_2a7f_4f_2e27f:Ba-Co-La-O, expected BaLa8(Co2O7)8 to be BaLa4(CoO3)5" +mp-20477,BaLa(CoO3)2,-7.307138851,-2.2319638607,0.0977113755,0.0977113755,GGA+U,P4/mmm,AB2CD6_tP10_123_c_g_d_abi:Ba-Co-La-O,10.0,"Invalid WP multiplicities - AB2CD6_tP10_123_c_g_d_ab2i:Ba-Co-La-O, expected BaLa(CoO5)2 to be BaLa(CoO3)2" +mp-1227951,BaLa(CoO3)2,-7.213134481,-2.1379594908,0.1917157455,0.1917157455,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ba-Co-La-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ba-Co-La-O +mp-1290736,BaLa2(CoO3)3,-7.5264238243,-2.3506810953,0.0710054953,0.0710054953,GGA+U,P1,AB3C2D9_aP30_1_2a_6a_4a_18a:Ba-Co-La-O,30.0,AB3C2D9_aP30_1_2a_6a_4a_18a:Ba-Co-La-O +mp-1275887,BaLa2(CoO3)3,-7.530054019,-2.3543112899,0.0673753007,0.0673753007,GGA+U,Cm,AB3C2D9_mC60_8_2a_6a_4a_6a6b:Ba-Co-La-O,30.0,AB3C2D9_aP30_1_2a_6a_4a_18a:Ba-Co-La-O +mp-1302177,BaLa2(CoO3)3,-7.5305950837,-2.3548523546,0.066834236,0.066834236,GGA+U,C2/m,AB3C2D9_mC60_12_i_ad2i_2i_ef3i2j:Ba-Co-La-O,30.0,AB3C2D9_hP15_164_a_bd_d_ei:Ba-Co-La-O +mp-1227960,BaLa2(CoO3)3,-7.524006462,-2.3482637329,0.0734228577,0.0734228577,GGA+U,P-3m1,AB3C2D9_hP15_164_a_bd_d_ei:Ba-Co-La-O,15.0,"Invalid WP multiplicities - AB3C2D9_hP15_164_a_bd_d_3e4i:Ba-Co-La-O, expected BaLa2(CoO11)3 to be BaLa2(CoO3)3" +mp-1227929,BaLa3(CoO3)4,-7.589520829,-2.3634942305,0.1041980372,0.1041980372,GGA+U,Im-3m,AB4C3D12_cI40_229_a_c_b_h:Ba-Co-La-O,20.0,AB4C3D12_cI40_229_a_c_b_h:Ba-Co-La-O +mp-1228530,Ba4La4Co8O23,-7.3763590767,-2.2978895664,0.0519698141,0.0519698141,GGA+U,C2/m,A4B8C4D23_mC78_12_eg_4i_j_c7i2j:Ba-Co-La-O,39.0,"Invalid WP multiplicities - A4B8C4D23_mC78_12_eh_8i_j_a13i4j:Ba-Co-La-O, expected Ba4La4Co16O43 to be Ba4La4Co8O23" +mp-1206732,BaLaCo2O5,-7.4459333622,-2.3564821187,0.0556072333,0.0556072333,GGA+U,Pmmm,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-La-O,9.0,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-La-O +mp-1229302,Ba4La4Co8O17,-7.3929746677,-2.2905450122,0.1266945155,0.1266945155,GGA+U,P2_1/c,A4B8C4D17_mP132_14_abcd2e_8e_4e_17e:Ba-Co-La-O,132.0,"Invalid WP multiplicities - A4B8C4D17_oP132_60_2a2b2d_20d_2d_6c18d:Ba-Co-La-O, expected Ba4La2Co20O21 to be Ba4La4Co8O17" +mp-1228747,Ba6La2Co4O15,-7.1385705326,-2.5452569882,0.0,-0.0009846615,GGA+U,Cc,A6B4C2D15_mC108_9_6a_4a_2a_15a:Ba-Co-La-O,54.0,"Invalid WP multiplicities - A6B4C2D15_mC108_9_9a_7a_4a_30a:Ba-Co-La-O, expected Ba9La4Co7O30 to be Ba6La2Co4O15" +mp-18862,La2CoIrO6,-8.0838363355,-2.5339464902,0.0488974431,0.0488974431,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Co-Ir-La-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_14_a_b_e_7e:Co-Ir-La-O, expected La2CoIrO14 to be La2CoIrO6" +mp-1214637,Ba3CoIr2O9,-7.0628640817,-2.0587101233,0.0,-0.0157832498,GGA+U,P6_3/mmc,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Co-Ir-O,30.0,A3BC2D9_hP30_194_bf_a_f_hk:Ba-Co-Ir-O +mp-1228112,BaLaCoIrO6,-7.507647988,-2.2594613593,0.0772746005,0.0772746005,GGA+U,P1,ABCDE6_aP10_1_a_a_a_a_6a:Ba-Co-Ir-La-O,10.0,ABCDE6_aP10_1_a_a_a_a_6a:Ba-Co-Ir-La-O +mp-1229198,Ba10Co7(IrO10)3,-6.8637736214,-1.9864948646,0.0694273362,0.0694273362,GGA+U,Cm,A10B7C3D30_mC100_8_10a_7a_3a_10a10b:Ba-Co-Ir-O,50.0,"Invalid WP multiplicities - A10B7C3D30_mC100_8_10a_7a_3a_10a12b:Ba-Co-Ir-O, expected Ba10Co7Ir3O34 to be Ba10Co7(IrO10)3" +mp-1096474,La2CoIr,-4.9528554525,1.5018360938000002,1.9741060721,1.9741060721,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Ir-La,4.0,ABC2_oI8_71_a_b_e:Co-Ir-La +mp-2229536,CsSr2MgNb3O10,-7.9883124529,-2.9503435376,0.1188603311,0.1188603311,GGA,Pmm2,ABC3D10E2_oP17_25_b_a_3c_3a4c3d_2b:Cs-Mg-Nb-O-Sr,17.0,ABC3D10E2_oP17_25_b_a_3c_3a4c3d_2b:Cs-Mg-Nb-O-Sr +mp-2229366,CsSr2MgNb3O10,-7.8259068376,-2.7879379223000003,0.2812659464,0.2812659464,GGA,Pmm2,ABC3D10E2_oP17_25_d_c_ae_ab3ef_f:Cs-Mg-Nb-O-Sr,17.0,"Invalid WP multiplicities - ABC3D10E2_oP17_25_d_c_ae_ab4e2f_f:Cs-Mg-Nb-O-Sr, expected CsSr2MgNb3O14 to be CsSr2MgNb3O10" +mp-2228917,CsSr2MgNb3O10,-7.9294815035,-2.8915125882,0.1776912805,0.1776912805,GGA,P4mm,ABC3D10E2_tP17_99_a_a_3b_4b3c_2a:Cs-Mg-Nb-O-Sr,17.0,ABC3D10E2_tP17_99_a_a_3b_4b3c_2a:Cs-Mg-Nb-O-Sr +mp-1026599,SrMg14Nb,-2.0009591919,0.1362107577,0.1709276927,0.1709276927,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Sr, expected SrMg18Nb to be SrMg14Nb" +mp-1026571,SrMg14Nb,-2.0037101544,0.1334597952,0.1681767302,0.1681767302,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Sr, expected SrMg26Nb to be SrMg14Nb" +mp-1033433,SrMg6NbO8,-6.4519785863,-2.641604306,0.3420422733,0.3420422733,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Sr, expected SrMg6NbO12 to be SrMg6NbO8" +mp-1033520,SrMg6NbO8,-6.3976369506,-2.5872626704,0.3963839089,0.3963839089,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Sr, expected SrMg6NbO12 to be SrMg6NbO8" +mp-1017085,CsSrMg6,-1.2968110325,0.2265109832,0.2747458402,0.2747458402,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cs-Mg-Sr, expected CsSrMg12 to be CsSrMg6" +mp-1017086,CsSrMg6,-1.263528415,0.2597936007,0.3080284577,0.3080284577,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-Sr, expected CsSrMg12 to be CsSrMg6" +mp-1016321,SrMg6Nb,-2.3976487938,0.2764110554,0.3246459125,0.3246459125,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Sr, expected SrMg12Nb to be SrMg6Nb" +mp-1016329,SrMg6Nb,-2.5078985625,0.1661612867,0.2143961437,0.2143961437,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Nb-Sr,8.0,A6BC_tP8_123_ej_b_d:Mg-Nb-Sr +mp-1034483,SrMg14NbO16,-6.3581608306,-2.8162315002,0.2026119391,0.2026119391,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Sr, expected SrMg18NbO20 to be SrMg14NbO16" +mp-1034479,SrMg14NbO16,-6.3676341625,-2.8257048321,0.1931386073,0.1931386073,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Sr, expected SrMg30NbO32 to be SrMg14NbO16" +mp-22264,CsSr2Nb3O10,-8.4076983969,-3.1548739274,0.0010900627,0.0010900627,GGA,P4/mmm,AB3C10D2_tP16_123_c_bg_e2gi_h:Cs-Nb-O-Sr,16.0,AB3C10D2_tP16_123_c_bg_e2gi_h:Cs-Nb-O-Sr +mp-1038702,SrMg30NbO32,-6.3468890162000005,-2.9391821607,0.0972597086,0.0972597086,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Sr, expected SrMg90NbO80 to be SrMg30NbO32" +mp-1038705,SrMg30NbO32,-6.352565662,-2.9448588065,0.0915830628,0.0915830628,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Sr, expected SrMg110NbO72 to be SrMg30NbO32" +mp-1026616,CsSrMg14,-1.3878978369,0.173903196,0.208620131,0.208620131,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Sr, expected CsSrMg18 to be CsSrMg14" +mp-1026601,CsSrMg14,-1.3858300769,0.175970956,0.210687891,0.210687891,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Sr, expected CsSrMg26 to be CsSrMg14" +mp-1218750,Sr2NbInO6,-7.527948708,-2.9367379136,0.030102099,0.030102099,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:In-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:In-Nb-O-Sr +mp-1518614,Ca2NbInO6,-7.466501911,-2.8120698313,0.1893376234,0.1893376234,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ca-In-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ca-In-Nb-O +mp-1522466,SrCaNbInO6,-7.496489656,-2.8736682189,0.115619122,0.115619122,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-In-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-In-Nb-O-Sr +mp-1227820,Ca10Nb5InO24,-8.0387418915,-3.2378734715,0.0144291545,0.0144291545,GGA,P1,A10BC5D24_aP40_1_10a_a_5a_24a:Ca-In-Nb-O,40.0,A10BC5D24_aP40_1_10a_a_5a_24a:Ca-In-Nb-O +mp-1357695,Ca10Nb5InO24,-3.6851426477,1.1157257722,4.3680283982,4.3680283982,GGA,P1,A10BC5D24_aP40_1_10a_a_5a_24a:Ca-In-Nb-O,40.0,A10BC5D24_aP40_1_10a_a_5a_24a:Ca-In-Nb-O +mp-1519263,SrDyMn4O12,-7.59319569,-1.909606468,0.2722309404,0.2722309404,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Dy-Mn-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Dy-Mn-O-Sr, expected SrDyMn4O16 to be SrDyMn4O12" +mp-1227771,BaSrDy4O8,-8.1078350532,-3.7071832358,0.0063049389,0.0063049389,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Dy-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Dy-O-Sr +mp-1218420,Sr3DyMn2O8,-7.695703105,-2.8690739997,0.0296101394,0.0296101394,GGA+U,Amm2,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:Dy-Mn-O-Sr,14.0,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:Dy-Mn-O-Sr +mp-1522044,BaSrDyMnO6,-7.54198093,-2.8362406507,0.0645955775,0.0645955775,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Mn-O-Sr +mp-1517693,BaDyMn4O12,-7.5785198,-1.8821816065,0.3045648843,0.3045648843,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Dy-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Dy-Mn-O, expected BaDyMn4O16 to be BaDyMn4O12" +mp-1519151,Sr2DyMnO6,-7.518931475,-2.8361393444000003,0.0732275449,0.0732275449,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Dy-Mn-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Dy-Mn-O-Sr +mp-541007,BaDy2MnO5,-8.2973078719,-3.294195931,0.0103449125,0.0103449125,GGA+U,Pnma,AB2CD5_oP36_62_c_2c_c_c2d:Ba-Dy-Mn-O,36.0,AB2CD5_oP36_62_c_2c_c_c2d:Ba-Dy-Mn-O +mp-1351744,CaCr2(CuO4)2,-7.0785523096,-1.7644278596,0.7715502360000001,0.7715502360000001,GGA+U,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ca-Cr-Cu-O,52.0,"Invalid WP multiplicities - AB2C2D8_mP52_14_e_5e_6e_26e:Ca-Cr-Cu-O, expected CaCr5(Cu3O13)2 to be CaCr2(CuO4)2" +mp-1048852,CaLaCr2O6,-8.4994647965,-2.9066813772,0.0294210134,0.0294210134,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Cr-La-O,20.0,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Cr-La-O +mp-1383318,CaLa2CrO6,-8.343381047,-3.2223016642,0.0625899062,0.0625899062,GGA+U,R-3,ABC2D6_hR30_148_a_b_c_f:Ca-Cr-La-O,10.0,ABC2D6_hR30_148_a_b_c_f:Ca-Cr-La-O +mp-1106068,LaCr4(CuO4)3,-7.8054863455,-2.045182269,0.9259008341,0.9259008341,GGA+U,Im-3,A4B3CD12_cI40_204_c_b_a_g:Cr-Cu-La-O,20.0,A4B3CD12_cI40_204_c_b_a_g:Cr-Cu-La-O +mp-1043224,CaCr4(CuO4)3,-7.5093944015,-1.8956106863,0.9352392304,0.9352392304,GGA+U,Im-3,AB4C3D12_cI40_204_a_c_b_g:Ca-Cr-Cu-O,20.0,AB4C3D12_cI40_204_a_c_b_g:Ca-Cr-Cu-O +mp-1042403,CaCr2CuO7,-7.4070835288,-1.9491087589,0.8028465263,0.8028465263,GGA+U,P2/c,AB2CD7_mP66_13_eg_3g_eg_f10g:Ca-Cr-Cu-O,66.0,"Invalid WP multiplicities - AB2CD7_mP66_13_2e3g_9g_2e3g_2f38g:Ca-Cr-Cu-O, expected Ca4Cr9Cu4O39 to be CaCr2CuO7" +mp-1040903,CaLaCrCuO6,-7.493722422,-2.4563230827,0.4919005499,0.4919005499,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-Cu-La-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_12a:Ca-Cr-Cu-La-O, expected CaLaCrCuO12 to be CaLaCrCuO6" +mp-1040880,LaCrCuO6,-7.37981263,-2.0055466842,0.5199891576,0.5199891576,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-Cu-La-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-Cu-La-O +mp-1220342,Nb6GaSn,-8.603092025,-0.1474047603,0.0480320459,0.0480320459,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ga-Nb-Sn,8.0,AB6C_cP8_200_a_f_b:Ga-Nb-Sn +mp-17230,Nb5GaSn2,-7.9351468187,-0.2409262022,0.0,-0.0194064956,GGA,I4/mcm,AB5C2_tI32_140_a_bk_h:Ga-Nb-Sn,16.0,AB5C2_tI32_140_a_bk_h:Ga-Nb-Sn +mp-1042909,Ca2Nb2SnO8,-8.1658796935,-2.9507342023,0.0909853825,0.0909853825,GGA,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Ca-Nb-O-Sn,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Ca-Nb-O-Sn, expected Ca2Nb2SnO10 to be Ca2Nb2SnO8" +mp-1214159,Ca3Ga3(SnO6)2,-6.6862024177,-2.5621776201,0.0,-0.0079245433,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ga-O-Sn,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ga-O-Sn +mp-1518242,NbGa(SnO3)2,-7.185411163,-2.102543459,0.1901473592,0.1901473592,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Sn,10.0,ABC6D2_cF40_225_a_b_e_c:Ga-Nb-O-Sn +mp-1228716,Ca3Ga2(SnO4)3,-6.7604479681,-2.5873493789,0.0003506536,0.0003506536,GGA,I4_1/acd,A3B2C12D3_tI160_142_be_e_3g_ac:Ca-Ga-O-Sn,80.0,"Invalid WP multiplicities - A3B2C12D3_tI160_142_2b2e_e_11g_ac:Ca-Ga-O-Sn, expected Ca6Ga2Sn3O44 to be Ca3Ga2(SnO4)3" +mp-1214317,Ca3Ga2(SnO4)3,-6.6547812635,-2.4816826742,0.1060173582,0.1060173582,GGA,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ga-O-Sn,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ga-O-Sn +mp-1228364,BaMn2Ru4O11,-7.9591885886,-1.7506223937,0.0374310466,0.0374310466,GGA+U,C2/c,AB2C11D4_mC72_15_e_ce_e5f_adf:Ba-Mn-O-Ru,36.0,"Invalid WP multiplicities - AB2C11D4_mC72_15_e_ae_2e15f_2b2cf:Ba-Mn-O-Ru, expected BaMn2(Ru3O16)2 to be BaMn2Ru4O11" +mp-690567,BaLaMnRuO6,-8.041454671,-2.5443014565,0.1467667638,0.1467667638,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ba-La-Mn-O-Ru,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_10a_a:Ba-La-Mn-O-Ru, expected BaLaMnRuO10 to be BaLaMnRuO6" +mp-1272796,BaLaMnRuO6,-8.065213157,-2.5680599425,0.1230082778,0.1230082778,GGA+U,Cm,ABCD6E_mC20_8_a_a_a_2a2b_a:Ba-La-Mn-O-Ru,10.0,ABCD6E_mC20_8_a_a_a_2a2b_a:Ba-La-Mn-O-Ru +mp-1227855,BaLaMnRuO6,-7.997878093,-2.5007248785,0.1903433418,0.1903433418,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mn-O-Ru,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mn-O-Ru +mp-1223380,La2MnRuO6,-8.5767160285,-2.7778595975,0.1259618949,0.1259618949,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mn-O-Ru,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_b:La-Mn-O-Ru, expected La2MnRuO10 to be La2MnRuO6" +mp-1228678,Ba2MnRuO6,-7.513347739,-2.317897741,0.0181343902,0.0181343902,GGA+U,C2/m,A2BC6D_mC60_12_3i_ai_3i3j_ci:Ba-Mn-O-Ru,30.0,"Invalid WP multiplicities - A2BC6D_mC60_12_3i_ai_6i6j_di:Ba-Mn-O-Ru, expected Ba2MnRuO12 to be Ba2MnRuO6" +mp-1228085,Ba3Mn2RuO9,-7.5553677713,-2.363664015,0.0213846978,0.0213846978,GGA+U,R3m,A3B2C9D_hR45_160_3a_2a_3b_a:Ba-Mn-O-Ru,15.0,A3B2C9D_hR45_160_3a_2a_3b_a:Ba-Mn-O-Ru +mp-1078968,LaCoSb2,-5.846561575,-0.77097973,0.0394108125,0.0394108125,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Co-La-Sb,8.0,ABC2_tP8_129_a_c_bc:Co-La-Sb +mp-1223367,La2CoSb4,-5.64802285,-0.862831855,0.0477273239,0.0477273239,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Co-La-Sb,7.0,AB2C4_tP7_115_c_g_abg:Co-La-Sb +mp-19337,Ba3CoSb2O9,-6.8149955962,-2.4387660298,0.0,-0.0251847357,GGA+U,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Co-O-Sb,60.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Co-O-Sb +mp-1203722,La6Co13Sb,-6.517556956,-0.2098981958,0.0,-0.0082470263,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Co-La-Sb,40.0,A13B6C_tI80_140_dk2l_fl_a:Co-La-Sb +mp-1227876,BaLaCoSbO6,-7.296814987,-2.5195716523,0.1203520597,0.1203520597,GGA+U,I-4,ABCD6E_tI20_82_c_a_d_eg_b:Ba-Co-La-O-Sb,10.0,ABCD6E_tI20_82_c_a_d_eg_b:Ba-Co-La-O-Sb +mp-570885,LaCoSb3,-5.6093224975,-0.7230567735,0.006437704,0.006437704,GGA,Pbcm,ABC3_oP40_57_e_cd_2c2de:Co-La-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_e_c2d_7c7d6e:Co-La-Sb, expected La3(CoSb13)2 to be LaCoSb3" +mp-1225024,La8ScTi6NbO28,-9.2567763,-3.7612747773,0.0160067814,0.0160067814,GGA,Pc,A8BC28DE6_mP88_7_8a_a_28a_a_6a:La-Nb-O-Sc-Ti,88.0,"Invalid WP multiplicities - A8BC28DE6_mP88_7_12a_a_42a_a_8a:La-Nb-O-Sc-Ti, expected La12ScTi8NbO42 to be La8ScTi6NbO28" +mp-1222787,LaTiNbO6,-9.3655827528,-3.5197009273,0.0202751822,0.0202751822,GGA,C2,ABC6D_mC36_5_ab_c_6c_c:La-Nb-O-Ti,18.0,ABC6D_mC36_5_ab_c_6c_c:La-Nb-O-Ti +mp-1222933,LaTiNbO6,-9.3755424358,-3.5296606104,0.0103154992,0.0103154992,GGA,Pna2_1,ABC6D_oP36_33_a_a_6a_a:La-Nb-O-Ti,36.0,"Invalid WP multiplicities - ABC6D_oP36_33_a_a_16a_a:La-Nb-O-Ti, expected LaTiNbO16 to be LaTiNbO6" +mp-1177448,Li4Cr(TeO4)3,-6.194196245,-1.8902501874,0.0425245707,0.0425245707,GGA+U,P2,AB4C12D3_mP20_3_a_abcd_6e_bcd:Cr-Li-O-Te,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_3_a_abcd_11e_bcd:Cr-Li-O-Te, expected Li4CrTe3O22 to be Li4Cr(TeO4)3" +mp-1275836,Li2Cr3SnO8,-7.716049375,-2.261758683,0.0196774691,0.0196774691,GGA+U,C2/m,A3B2C8D_mC28_12_ae_i_2ij_c:Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2c2e_i_3ij_b:Cr-Li-O-Sn, expected Li2Cr6SnO10 to be Li2Cr3SnO8" +mp-1307565,Li2Cr3SnO8,-7.7149415718,-2.2606508798,0.0207852723,0.0207852723,GGA+U,C2/c,A3B2C8D_mC56_15_abc_f_4f_e:Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2ce_i_3i3j_a:Cr-Li-O-Sn, expected Li2Cr4SnO18 to be Li2Cr3SnO8" +mp-774276,Li2Cr3SnO8,-7.723222878,-2.268932186,0.0125039661,0.0125039661,GGA+U,P4_32_12,A3B2C8D_tP56_96_ab_b_4b_a:Cr-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_tP56_96_3a2b_b_29b_a:Cr-Li-O-Sn, expected Li2Cr7SnO58 to be Li2Cr3SnO8" +mp-756832,Li2Cr3SnO8,-7.662132706399999,-2.2078420144,0.0735941377,0.0735941377,GGA+U,R3m,A3B2C8D_hR42_160_b_2a_2a2b_a:Cr-Li-O-Sn,14.0,A3B2C8D_hR42_160_b_2a_2a2b_a:Cr-Li-O-Sn +mp-768681,Li2Cr3SnO8,-7.7042880614,-2.2499973694,0.0314387827,0.0314387827,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-Sn,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Cr-Li-O-Sn, expected Li2Cr3SnO10 to be Li2Cr3SnO8" +mp-772964,Li2Cr3SnO8,-7.7048338927,-2.2505432007,0.0308929514,0.0308929514,GGA+U,P2_13,A3B2C8D_cP56_198_b_2a_2a2b_a:Cr-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Cr-Li-O-Sn, expected Li2Cr3SnO70 to be Li2Cr3SnO8" +mp-756493,Li2Cr2SnO6,-7.414557045,-2.2496802454,0.0775277109,0.0775277109,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-Sn,22.0,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-Sn +mp-774846,Li4Cr3Sn3(TeO8)2,-6.8386606979,-2.0509042476,0.0855446103,0.0855446103,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-Sn-Te,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-Sn-Te, expected Li4Cr3Sn3(TeO10)2 to be Li4Cr3Sn3(TeO8)2" +mp-754139,Li2Cr3TeO8,-7.5581150543,-2.1657005024,0.0289979135,0.0289979135,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-Te,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Cr-Li-O-Te, expected Li2Cr3TeO10 to be Li2Cr3TeO8" +mp-778197,Li2Cr3TeO8,-7.5641791057,-2.1717645538,0.0229338621,0.0229338621,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-Te,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Cr-Li-O-Te, expected Li3Cr3TeO30 to be Li2Cr3TeO8" +mp-773182,Li4Cr3Sn5O16,-7.0546799871,-2.2050473967,0.0278483066,0.0278483066,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Cr-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_2a2b_4a_8a4b_3ab:Cr-Li-O-Sn, expected Li4Cr6Sn5O16 to be Li4Cr3Sn5O16" +mp-767678,Li8Cr3TeO12,-6.5969270925,-2.149673102,0.0946841809,0.0946841809,GGA+U,P2,A3B8C12D_mP24_3_abc_2a2b2c2d_6e_d:Cr-Li-O-Te,24.0,"Invalid WP multiplicities - A3B8C12D_mP24_3_abc_2a2b2c2d_11e_d:Cr-Li-O-Te, expected Li8Cr3TeO22 to be Li8Cr3TeO12" +mp-1178016,Li2CrTeO6,-6.548371734,-1.9189385976,0.0857127282,0.0857127282,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Cr-Li-O-Te,40.0,AB2C6D_hR30_146_a_2a_2b_a:Cr-Li-O-Te +mp-770671,Li4Cr5Sn3O16,-7.4820652807,-2.2293272892,0.0515518953,0.0515518953,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Cr-Li-O-Sn, expected Li4Cr5Sn3O20 to be Li4Cr5Sn3O16" +mp-756864,LiCrSnO4,-7.3315075079,-2.2803222169,0.0,-3.32736e-05,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Sn,28.0,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Sn +mp-774243,LiCrSnO4,-7.2439358854,-2.1927505944,0.0875716225,0.0875383489,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Cr-Li-O-Sn,28.0,ABC4D_tP28_95_a_b_2d_c:Cr-Li-O-Sn +mp-8673,Li2SnTeO6,-6.0698080605,-2.0047224856,0.0,-0.0068331058,GGA,Pnn2,A2B6CD_oP20_34_ab_3c_a_b:Li-O-Sn-Te,20.0,"Invalid WP multiplicities - A2B6CD_oP20_34_ab_6c_a_b:Li-O-Sn-Te, expected Li2SnTeO12 to be Li2SnTeO6" +mp-1189102,Sr2LaSbO6,-7.258521146,-3.0461083941,0.0,-0.0460963612,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:La-O-Sb-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:La-O-Sb-Sr +mp-1518170,Sr2LaSbO6,-7.2260964982,-3.0136837463,0.0324246478,-0.0136717134,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:La-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:La-O-Sb-Sr +mp-1206332,Sr2LaSbO6,-7.164715625,-2.9523028731,0.093805521,0.0477091598,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:La-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:La-O-Sb-Sr +mp-727395,SrLaMnSbO6,-7.7785563733,-2.8188914375,0.0166318922,0.0166318922,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sb-Sr,40.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sb-Sr +mp-19246,Sr2Mn3(SbO)2,-6.7836554644,-1.3373873883,0.0866488202,0.0866488202,GGA+U,I4/mmm,A3B2C2D2_tI18_139_ad_c_e_e:Mn-O-Sb-Sr,9.0,A3B2C2D2_tI18_139_ad_c_e_e:Mn-O-Sb-Sr +mp-1218763,Sr2MnSbO6,-7.22355378,-2.5885402094,0.0,-0.0165692097,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Mn-O-Sb-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Mn-O-Sb-Sr +mp-557296,Sr2MnSbO6,-7.203589581,-2.5685760104,0.019964199,0.0033949893,GGA+U,I4/mmm,AB6CD2_tI20_139_a_eh_b_d:Mn-O-Sb-Sr,10.0,"Invalid WP multiplicities - AB6CD2_tI20_139_a_2e2h_b_d:Mn-O-Sb-Sr, expected Sr2MnSbO12 to be Sr2MnSbO6" +mp-548149,Sr2MnSbO6,-7.198053491,-2.5630399204,0.025500289,0.0089310793,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mn-O-Sb-Sr,10.0,"Invalid WP multiplicities - AB6CD2_tI20_139_a_2e2h_b_d:Mn-O-Sb-Sr, expected Sr2MnSbO12 to be Sr2MnSbO6" +mp-1218479,Sr4ZrTi3O12,-8.4699648165,-3.5523440651,0.0281676644,0.0281676644,GGA,Pmmm,A12B4C3D_oP20_47_abj2x_cdi_el_f:O-Sr-Ti-Zr,20.0,"Invalid WP multiplicities - A12B4C3D_oP20_47_ab2j5x_cd2i_e2l_f:O-Sr-Ti-Zr, expected Sr6ZrTi5O26 to be Sr4ZrTi3O12" +mp-1218457,Sr4ZrTi3O12,-8.4612501085,-3.5436293571,0.0368823724,0.0368823724,GGA,P4/mmm,A12B4C3D_tP20_123_ef2gi_2h_ag_b:O-Sr-Ti-Zr,20.0,"Invalid WP multiplicities - A12B4C3D_tP20_123_2e2f3g3i_3h_a2g_b:O-Sr-Ti-Zr, expected Sr6ZrTi5O26 to be Sr4ZrTi3O12" +mp-1228778,Ca2Zr5Ti2O16,-9.3801584516,-3.7126501987,0.0014657011,-0.0012304148,GGA,Iba2,A2B16C2D5_oI200_45_2c_2a2b14c_2c_5c:Ca-O-Ti-Zr,100.0,"Invalid WP multiplicities - A2B16C2D5_oI200_45_3c_2a2b28c_2c_9c:Ca-O-Ti-Zr, expected Ca3Zr9Ti2O30 to be Ca2Zr5Ti2O16" +mp-667369,Ca2Zr5Ti2O16,-9.3816241527,-3.7141158998,0.0,-0.002696116,GGA,Pbca,A2B16C2D5_oP200_61_2c_16c_2c_5c:Ca-O-Ti-Zr,200.0,"Invalid WP multiplicities - A2B16C2D5_oP200_61_8c_124c_8c_32c:Ca-O-Ti-Zr, expected Ca2Zr8Ti2O31 to be Ca2Zr5Ti2O16" +mp-1218576,Sr3ZrTi2O9,-8.5001372033,-3.5716463084,0.0180317992,0.0180317992,GGA,C2/m,A9B3C2D_mC60_12_g6ij_hj_abi_i:O-Sr-Ti-Zr,30.0,"Invalid WP multiplicities - A9B3C2D_mC60_12_2g12i2j_2h3j_abi_i:O-Sr-Ti-Zr, expected Sr8ZrTi2O18 to be Sr3ZrTi2O9" +mp-1205663,Sr2ZrTiO6,-8.513280479,-3.5630492969,0.0449615668,0.0449615668,GGA,P4mm,A6B2CD_tP10_99_2a2c_2b_a_a:O-Sr-Ti-Zr,10.0,A6B2CD_tP10_99_2a2c_2b_a_a:O-Sr-Ti-Zr +mp-1518526,Sr2ZrTiO6,-8.528079287,-3.5778481049,0.0301627587,0.0301627587,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Ti-Zr,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-Ti-Zr +mp-1218504,Sr5ZrTi4O15,-8.4573837404,-3.5462850751,0.0287268275,0.0287268275,GGA,Cmmm,A15B5C4D_oC50_65_bf2g2q_a2g_2h_c:O-Sr-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C4D_oC50_65_b2f4g4q_a3g_3h_c:O-Sr-Ti-Zr, expected Sr7ZrTi6O29 to be Sr5ZrTi4O15" +mp-1218512,Sr5ZrTi4O15,-8.454929514,-3.5438308487,0.0311810539,0.0311810539,GGA,P4/mmm,A15B5C4D_tP25_123_ae2g2i_c2h_2g_b:O-Sr-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C4D_tP25_123_a2e4g6i_c4h_3g_b:O-Sr-Ti-Zr, expected Sr9ZrTi6O37 to be Sr5ZrTi4O15" +mp-1218534,Sr5ZrTi4O15,-8.4693250268,-3.5582263615,0.0167855411,0.0167855411,GGA,R-3m,A15B5C4D_hR75_166_d2h_b2c_2c_a:O-Sr-Ti-Zr,25.0,"Invalid WP multiplicities - A15B5C4D_hR75_166_3d6h_b2c_3c_a:O-Sr-Ti-Zr, expected Sr5ZrTi6O45 to be Sr5ZrTi4O15" +mp-1518628,Ca2ZrTiO6,-8.493657134,-3.4802046666,0.133689823,0.133689823,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Ti-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Ti-Zr +mp-1227163,CaZrTi2O7,-9.1655521018,-3.6227243271,0.0,-0.0031207218,GGA,P-1,AB7C2D_aP44_2_2i_14i_4i_2i:Ca-O-Ti-Zr,44.0,"Invalid WP multiplicities - AB7C2D_aP44_2_4i_28i_6i_4i:Ca-O-Ti-Zr, expected Ca2Zr2Ti3O14 to be CaZrTi2O7" +mp-1218572,Sr4Zr3TiO12,-8.602949041,-3.6201074282,0.0154025696,0.0154025696,GGA,P-1,A12B4CD3_aP20_2_6i_2i_a_beh:O-Sr-Ti-Zr,20.0,"Invalid WP multiplicities - A12B4CD3_aP20_2_12i_4i_a_beh:O-Sr-Ti-Zr, expected Sr8Zr3TiO24 to be Sr4Zr3TiO12" +mp-1520998,SrCaZrTiO6,-8.509468204000001,-3.5276263792,0.0843491412,0.0843491412,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Ti-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Ti-Zr +mp-695042,Sr9LaTi10O30,-8.5257927486,-3.5758521548,0.0,-0.0036777044,GGA,P-1,AB30C9D10_aP100_2_i_30i_9i_10i:La-O-Sr-Ti,100.0,"Invalid WP multiplicities - AB30C9D10_aP100_2_i_57i_15i_20i:La-O-Sr-Ti, expected Sr15LaTi20O57 to be Sr9LaTi10O30" +mp-1218562,Sr4LaTi5O15,-8.6062071724,-3.5913363056,0.0,-0.005479039,GGA,C2/m,AB15C4D5_mC50_12_a_bf2i2j_2i_c2i:La-O-Sr-Ti,25.0,"Invalid WP multiplicities - AB15C4D5_mC50_12_b_a2e4i6j_3i_c3i:La-O-Sr-Ti, expected Sr6LaTi7O37 to be Sr4LaTi5O15" +mp-1218234,SrLa3Ti2(CoO6)2,-8.4140434575,-3.1207735112,0.0894984758,0.0894984758,GGA+U,P-4m2,A2B3C12DE2_tP20_115_g_abc_2gl_d_g:Co-La-O-Sr-Ti,20.0,A2B3C12DE2_tP20_115_g_abc_2gl_d_g:Co-La-O-Sr-Ti +mp-1211314,La2TiCoO6,-8.7829798283,-3.3273841993,0.0137988272,0.0137988272,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-La-O-Ti,40.0,AB2C6D_mP20_14_a_e_3e_b:Co-La-O-Ti +mp-1078893,La2TiCoO6,-8.598985667,-3.1433900381,0.1977929885,0.1977929885,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Co-La-O-Ti,10.0,AB2C6D_cF40_225_a_c_e_b:Co-La-O-Ti +mp-1223096,La2TiCo16,-7.0096806742,-0.0885969402,0.0021106216,0.0021106216,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Co-La-Ti,19.0,A16B2C_hR57_160_a3bc_2a_a:Co-La-Ti +mp-1218904,SrLa2Ti3O9,-8.9296659733,-3.6117871657,0.0230435554,0.0230435554,GGA,P-3m1,A2B9CD3_hP15_164_d_ei_a_bd:La-O-Sr-Ti,15.0,"Invalid WP multiplicities - A2B9CD3_hP15_164_d_3e4i_a_bd:La-O-Sr-Ti, expected SrLa2Ti3O33 to be SrLa2Ti3O9" +mp-1223127,La2Ti2CoO8,-8.8955061542,-3.3305195597,0.0697145735,0.0697145735,GGA+U,P-4m2,AB2C8D2_tP13_115_a_g_ef2g_g:Co-La-O-Ti,52.0,AB2C8D2_tP13_115_a_g_ef2g_g:Co-La-O-Ti +mp-1223091,La2Ti3CoO10,-9.0037546206,-3.3703986727,0.0538408575,0.0538408575,GGA+U,I-4m2,AB2C10D3_tI32_119_c_e_2e3f_ae:Co-La-O-Ti,16.0,"Invalid WP multiplicities - AB2C10D3_tI32_119_c_e_2e4f_ae:Co-La-O-Ti, expected La2Ti3CoO12 to be La2Ti3CoO10" +mp-1208909,Sr2La3Ti2O10,-8.4959582315,-3.5874359157,0.0541419949,0.0541419949,GGA,P2_1/m,A3B10C2D2_mP34_11_3e_a5e2f_2e_2e:La-O-Sr-Ti,34.0,A3B10C2D2_mP34_11_3e_a5e2f_2e_2e:La-O-Sr-Ti +mp-1521395,NaEuTiBiO6,-7.764576852,-2.4650128012,0.1765381927,0.1765381927,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-Na-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-Na-O-Ti +mp-1221823,NaTi8(Bi3O10)3,-7.7072624517,-2.5520223489,0.071781989,0.071781989,GGA,Cmmm,A9BC30D8_oC96_65_a2g2h_c_bd2g2hm2r_2g2h:Bi-Na-O-Ti,48.0,"Invalid WP multiplicities - A9BC30D8_oC96_65_a2g4h_c_bd2g4hm2r_2g4h:Bi-Na-O-Ti, expected NaTi12Bi13O34 to be NaTi8(Bi3O10)3" +mp-1094149,NaTi2BiO6,-7.888281129,-2.8248680566,0.0275404062,0.0275404062,GGA,C2/m,ABC6D2_mC20_12_a_d_ij_i:Bi-Na-O-Ti,10.0,ABC6D2_mC20_12_a_c_ij_i:Bi-Na-O-Ti +mp-1220903,NaTi2BiO6,-7.898915803,-2.8355027306,0.0169057322,0.0169057322,GGA,Cmm2,ABC6D2_oC20_35_a_b_cde_c:Bi-Na-O-Ti,10.0,ABC6D2_oC20_35_a_b_cde_c:Bi-Na-O-Ti +mp-39681,NaTi2BiO6,-7.901984264,-2.8385711916,0.0138372712,0.0138372712,GGA,R3,ABC6D2_hR30_146_a_a_2b_2a:Bi-Na-O-Ti,10.0,ABC6D2_hR30_146_a_a_2b_2a:Bi-Na-O-Ti +mp-5920,LiAlGe,-3.7171956433,-0.2913534594,0.0,-0.1041529592,GGA,F-43m,ABC_cF12_216_a_c_b:Al-Ge-Li,3.0,ABC_cF12_216_a_c_b:Al-Ge-Li +mp-961645,LiAlGe,-3.37679619,0.0490459939,0.3403994533,0.2362464942,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Ge-Li,3.0,ABC_cF12_216_a_b_c:Al-Ge-Li +mp-1190840,Li8Pr7Ge10,-4.4836849064,-0.6849648357,0.001005696,0.001005696,GGA,Cmmm,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Pr,25.0,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Pr +mp-6765,Li3AlGeO5,-6.515963515,-2.6330819309,0.0,-0.0060200118,GGA,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:Al-Ge-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_3a_8a:Al-Ge-Li-O, expected Li3AlGeO8 to be Li3AlGeO5" +mp-1102495,Li4Pr3Ge4,-4.3436407627,-0.6645025671,0.0,-0.0133317001,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Pr,11.0,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Pr +mp-865658,LiPrGe2,-4.6518842838,-0.6679132008,0.0,-0.0434589642,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-Li-Pr,16.0,"Invalid WP multiplicities - A2BC_oP16_62_5c_c_c:Ge-Li-Pr, expected LiPrGe5 to be LiPrGe2" +mp-1519840,LiPr(GeO3)4,-6.5404357544,-1.8436466113,0.2808452697,0.2808452697,GGA,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Ge-Li-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Ge-Li-O-Pr, expected LiPr(GeO4)4 to be LiPr(GeO3)4" +mp-1222525,LiAlGeO4,-7.0095434143,-2.7146460719,0.0,-0.0371113778,GGA,R3,ABCD4_hR126_146_2b_2b_2b_8b:Al-Ge-Li-O,42.0,ABCD4_hR126_146_2b_2b_2b_8b:Al-Ge-Li-O +mp-16947,LiAlGeO4,-6.9829923645,-2.6880950221,0.0265510498,-0.010560328,GGA,R-3,ABCD4_hR126_148_f_f_f_4f:Al-Ge-Li-O,42.0,"Invalid WP multiplicities - ABCD4_hR126_148_f_f_f_10f:Al-Ge-Li-O, expected LiAlGeO10 to be LiAlGeO4" +mp-8481,LiPrGe,-4.4438591244,-0.6729069656000001,0.0,-0.0588747318,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Pr,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Pr +mp-861657,Li2PrAl,-3.274045395,-0.1879635654,0.0052731321,0.0052731321,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Li-Pr,4.0,AB2C_cF16_225_a_c_b:Al-Li-Pr +mp-1020030,LiAl(GeO3)2,-6.963075699,-2.5050070316,0.0186215377,0.0186215377,GGA,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Al-Ge-Li-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Al-Ge-Li-O +mp-1079867,Li2PrGe,-3.66044946,-0.3550046242,0.1496756,0.1496756,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Ge-Li-Pr,8.0,AB2C_hP8_194_a_f_c:Ge-Li-Pr +mp-1209642,PrAlGe2O7,-7.6184586416,-2.8548806167,0.0,-0.0580487445,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Pr,44.0,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Pr +mp-1104368,Li2Pr2Ge3,-4.5955154764,-0.7028382181,0.0,-0.0132380291,GGA,Cmcm,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Pr,14.0,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Pr +mp-4960,Li(PrGe3)2,-4.7800315644,-0.4234869526,0.0948122722,0.0948122722,GGA,Cmmm,A6BC2_oC18_65_g2h_a_g:Ge-Li-Pr,9.0,"Invalid WP multiplicities - A6BC2_oC18_65_2g2h_a_g:Ge-Li-Pr, expected Li(PrGe4)2 to be Li(PrGe3)2" +mp-1204433,LiAlGeO5,-6.4725541947,-2.0961829312,0.2791323817,0.2791323817,GGA,Pna2_1,ABCD5_oP32_33_a_a_a_5a:Al-Ge-Li-O,32.0,ABCD5_oP32_33_a_a_a_5a:Al-Ge-Li-O +mp-1197150,Li(PrGe)4,-5.18547558,-0.7938469904000001,0.0,-0.0133512969,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Pr,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Pr +mp-1185391,LiPr2Al,-3.991843205,-0.1877656533,0.0054710442,0.0054710442,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Pr,4.0,ABC2_cF16_225_a_b_c:Al-Li-Pr +mp-1207174,LiAl2Ge,-3.43073293,0.0750426654,0.29355776,0.29355776,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Ge-Li,4.0,A2BC_cF16_225_c_a_b:Al-Ge-Li +mp-772016,Li3Ni3SbO8,-6.0815603687,-1.6302477307,0.0657876666,0.0657876666,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Li-Ni-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_d_e_2c2h_a:Li-Ni-O-Sb, expected Li3Ni3SbO16 to be Li3Ni3SbO8" +mp-772885,Li3Cr3(NiO6)2,-7.0523292651,-1.7720068199,0.0633475139,0.0633475139,GGA+U,P2_1/c,A3B3C2D12_mP80_14_3e_3e_2e_12e:Cr-Li-Ni-O,80.0,"Invalid WP multiplicities - A3B3C2D12_mP80_14_11e_9e_3e_43e:Cr-Li-Ni-O, expected Li9Cr11Ni3O43 to be Li3Cr3(NiO6)2" +mp-762510,Li4Ni5Sb3O16,-6.2369744936,-1.6630317090000002,0.055951783,0.055951783,GGA+U,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Ni-O-Sb, expected Li4Ni5Sb3O20 to be Li4Ni5Sb3O16" +mp-768708,LiCrNiO4,-7.0380958593,-1.7339727362,0.102633022,0.102633022,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Li-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h3i:Cr-Li-Ni-O, expected LiCrNiO10 to be LiCrNiO4" +mp-756842,Li3Cr2NiO6,-7.1490932425,-2.1079988685,0.0266823698,0.0266823698,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Cr-Li-Ni-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_d_5i:Cr-Li-Ni-O, expected Li3Cr2NiO10 to be Li3Cr2NiO6" +mp-764319,Li4Cr2Ni3Sb3O16,-6.7699791471,-1.9193998776,0.0692789474,0.0692789474,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Ni-O-Sb, expected Li4Cr2Ni3Sb3O20 to be Li4Cr2Ni3Sb3O16" +mp-1302740,Li4Ni3SbO8,-6.0771633616,-1.7847500843000002,0.0261610361,0.0261610361,GGA+U,C2/m,A4B3C8D_mC32_12_abf_ce_2ij_d:Li-Ni-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_abe_2c2f_3i2j_d:Li-Ni-O-Sb, expected Li4Ni6SbO14 to be Li4Ni3SbO8" +mp-1306001,Li4Ni3SbO8,-6.0800932031,-1.7876799258,0.0232311946,0.0232311946,GGA+U,P2/c,A4B3C8D_mP32_13_ac2f_bde_4g_e:Li-Ni-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mP32_13_2a2c2f_2bde_11g_e:Li-Ni-O-Sb, expected Li6Ni4SbO22 to be Li4Ni3SbO8" +mp-1305992,Li4Ni3SbO8,-6.0810180578,-1.7886047805,0.0223063399,0.0223063399,GGA+U,C2/c,A4B3C8D_mC64_15_cdf_abe_4f_e:Li-Ni-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mC64_15_ab2f_2c2de_11f_e:Li-Ni-O-Sb, expected Li6Ni5SbO22 to be Li4Ni3SbO8" +mp-1311728,Li4Ni3SbO8,-6.0794110875,-1.7869978102,0.0239133102,0.0239133102,GGA+U,C2/c,A4B3C8D_mC64_15_2ef_abc_4f_d:Li-Ni-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mC64_15_2e2f_2a2bc_10f_d:Li-Ni-O-Sb, expected Li6Ni5SbO20 to be Li4Ni3SbO8" +mp-754228,Li4Ni3SbO8,-6.0790292831,-1.7866160058,0.0242951146,0.0242951146,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Ni-O-Sb,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-Sb, expected Li4Ni3SbO16 to be Li4Ni3SbO8" +mp-1185260,LiNi2Sb,-4.756680005,-0.3571306383,0.0007651767,0.0007651767,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ni-Sb,4.0,AB2C_cF16_225_a_c_b:Li-Ni-Sb +mp-759984,Li5Cr3NiO8,-7.0816093279,-2.1488209095,0.0590970276,0.0590970276,GGA+U,Cmc2_1,A3B5CD8_oC68_36_ab_3ab_a_4a2b:Cr-Li-Ni-O,34.0,"Invalid WP multiplicities - A3B5CD8_hP34_186_c_a2b3c_b_a2b10c:Cr-Li-Ni-O, expected Li12Cr3NiO33 to be Li5Cr3NiO8" +mp-759272,Li5Cr3NiO8,-7.0908359191,-2.1580475007,0.0498704365,0.0498704365,GGA+U,P4_332,A3B5CD8_cP68_212_d_cd_a_ce:Cr-Li-Ni-O,68.0,"Invalid WP multiplicities - A3B5CD8_cP68_212_d_4c4d_a_8c9e:Cr-Li-Ni-O, expected Li20Cr3NiO70 to be Li5Cr3NiO8" +mp-1273683,Li2CrNiO4,-6.7995243531,-1.9198012621,0.0775915953,0.0775915953,GGA+U,Cm,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Ni-O,16.0,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Ni-O +mp-1285073,Li2CrNiO4,-6.79608652,-1.916363429,0.0810294284,0.0810294284,GGA+U,Cm,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Ni-O,16.0,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Ni-O +mp-1178023,Li2CrNiO4,-6.8421631162,-1.9624400252,0.0349528322,0.0349528322,GGA+U,P2/m,AB2CD4_mP8_10_b_dh_c_mn:Cr-Li-Ni-O,8.0,"Invalid WP multiplicities - AB2CD4_mP8_10_b_eg_c_2m2n:Cr-Li-Ni-O, expected Li2CrNiO8 to be Li2CrNiO4" +mp-1273921,Li2CrNiO4,-6.7975385563,-1.9178154652,0.0795773922,0.0795773922,GGA+U,C222,AB2CD4_oC32_21_k_ack_bd_efl:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oC32_21_k_ack_bd_2e2fl:Cr-Li-Ni-O, expected Li2CrNiO6 to be Li2CrNiO4" +mp-762507,Li2CrNiO4,-6.8386929788,-1.9589698877,0.0384229697,0.0384229697,GGA+U,Imma,AB2CD4_oI32_74_a_bc_d_hi:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oI32_74_a_2b2c_d_4h3i:Cr-Li-Ni-O, expected Li4CrNiO14 to be Li2CrNiO4" +mp-754910,Li2CrNiO4,-6.80438185,-1.924658759,0.0727340984,0.0727340984,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Cr-Li-Ni-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_bc_d_2e2f:Cr-Li-Ni-O, expected Li2CrNiO8 to be Li2CrNiO4" +mp-1639439,Li2Ni2SbO6,-6.1797800577,-1.7082116395,0.0472817583,0.0472817583,GGA+U,C222_1,A2B2C6D_oC44_20_2b_2a_3c_a:Li-Ni-O-Sb,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_20_2b_2a_7c_a:Li-Ni-O-Sb, expected Li2Ni2SbO14 to be Li2Ni2SbO6" +mp-771754,Li2Ni2SbO6,-6.1716512541,-1.7000828358,0.055410562,0.055410562,GGA+U,Cmce,A2B2C6D_oC44_64_e_d_fg_a:Li-Ni-O-Sb,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_e_d_2f3g_a:Li-Ni-O-Sb, expected Li2Ni2SbO16 to be Li2Ni2SbO6" +mp-757137,Li4CrNi3O8,-6.3693218556,-1.731655689,0.0380795299,0.0380795299,GGA+U,R-3m,AB4C3D8_hR48_166_a_bd_e_ch:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_bd_e_2c2h:Cr-Li-Ni-O, expected Li4CrNi3O16 to be Li4CrNi3O8" +mp-756608,Li4Cr3Ni2Sb3O16,-7.0206534011,-2.031755889,0.0730935095,0.0730935095,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Ni-O-Sb, expected Li4Cr3Ni2Sb3O20 to be Li4Cr3Ni2Sb3O16" +mp-754956,Li3Ni4SbO8,-6.23035292,-1.6959887794,0.0449458413,0.0449458413,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Ni-O-Sb,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_ae_bcf_4i2j_d:Li-Ni-O-Sb, expected Li3Ni4SbO16 to be Li3Ni4SbO8" +mp-756352,Li3Cr(NiO2)4,-6.5356264306,-1.6560094006,0.0437493184,0.0437493184,GGA+U,C2/m,AB3C4D8_mC32_12_a_de_bcf_2ij:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_d2e_bcf_3i2j:Cr-Li-Ni-O, expected Li5Cr(Ni2O7)2 to be Li3Cr(NiO2)4" +mp-849457,Li3Ni(SbO3)4,-6.3074276093,-1.9382688705,0.0598150379,0.0598150379,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Ni-O-Sb,40.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Ni-O-Sb +mp-1177306,Li4Ni5SbO12,-6.0134079268,-1.4667878977,0.0774011753,0.0774011753,GGA+U,C2/m,A4B5C12D_mC44_12_j_agh_2i2j_d:Li-Ni-O-Sb,22.0,"Invalid WP multiplicities - A4B5C12D_mC44_12_j_a2g2h_3i4j_c:Li-Ni-O-Sb, expected Li4Ni9SbO22 to be Li4Ni5SbO12" +mp-850867,Li2Cr2NiO6,-7.2723193664,-1.9464821281,0.1046019231,0.1046019231,GGA+U,C2/m,A2B2CD6_mC66_12_ij_hj_ag_3i3j:Cr-Li-Ni-O,33.0,"Invalid WP multiplicities - A2B2CD6_mC66_12_ij_h2j_a2g_6i8j:Cr-Li-Ni-O, expected Li10Cr6Ni5O44 to be Li2Cr2NiO6" +mp-804134,Li5Ni3(SbO5)2,-3.279251589,0.9512441093,2.8758046811,2.8758046811,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_di_5i_i:Li-Ni-O-Sb,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_di_9i_i:Li-Ni-O-Sb, expected Li9Ni3(SbO9)2 to be Li5Ni3(SbO5)2" +mp-757079,Li5Ni3(SbO5)2,-6.0634934377,-1.8329977395,0.0915628324,0.0915628324,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_di_5i_i:Li-Ni-O-Sb,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b2i_2d2i_5i_i:Li-Ni-O-Sb, expected Li5Ni6(SbO5)2 to be Li5Ni3(SbO5)2" +mp-1323680,Li5Ni3(SbO5)2,-4.572578946,-0.3420832477,1.5824773241,1.5824773241,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ci_5i_i:Li-Ni-O-Sb,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_ci_9i_i:Li-Ni-O-Sb, expected Li9Ni3(SbO9)2 to be Li5Ni3(SbO5)2" +mp-755220,Li3CrNi3O8,-6.4296179207,-1.610035534,0.0894580627,0.0894580627,GGA+U,C2/m,AB3C3D8_mC30_12_b_cf_ae_2ij:Cr-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_a_ce_bf_4i3j:Cr-Li-Ni-O, expected Li3CrNi3O20 to be Li3CrNi3O8" +mp-756403,Li3Ni2SbO6,-6.0663125542,-1.8082979319,0.1067077467,0.0741783442,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Ni-O-Sb,12.0,"Invalid WP multiplicities - A3B2C6D_mC24_12_ai_i_5i_d:Li-Ni-O-Sb, expected Li3Ni2SbO10 to be Li3Ni2SbO6" +mp-1102490,Li3Ni2SbO6,-6.1730203008,-1.9150056785,0.0,-0.0325294025,GGA+U,C2/m,A3B2C6D_mC24_12_ag_h_ij_d:Li-Ni-O-Sb,12.0,A3B2C6D_mC24_12_ag_h_ij_c:Li-Ni-O-Sb +mp-780190,Li2Cr3(NiO6)2,-7.1941824683,-1.73641794,0.0045654473,0.0045654473,GGA+U,Pbcn,A3B2C2D12_oP76_60_cd_d_d_6d:Cr-Li-Ni-O,76.0,"Invalid WP multiplicities - A3B2C2D12_oP76_60_2c2d_d_d_21d:Cr-Li-Ni-O, expected LiCr3NiO21 to be Li2Cr3(NiO6)2" +mp-756974,Li5Ni5(SbO6)2,-6.1502710979,-1.7309559001,0.0814485584,0.0814485584,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Ni-O-Sb,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Ni-O-Sb, expected Li9Ni5(SbO6)2 to be Li5Ni5(SbO6)2" +mp-1094134,LiNiSbO4,-6.2134012029,-1.6984275412,0.1844758579,0.1659198788,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_4c2d_c:Li-Ni-O-Sb, expected LiNiSbO8 to be LiNiSbO4" +mp-756254,LiNiSbO4,-6.3978770607,-1.882903399,0.0,-0.018555979,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Sb,28.0,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Sb +mp-754431,Li3Cr(NiO3)2,-6.5170918392,-1.798740031,0.0613644454,0.0613644454,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Cr-Li-Ni-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_di_i_5i:Cr-Li-Ni-O, expected Li3Cr(NiO5)2 to be Li3Cr(NiO3)2" +mp-1306592,Li2Ni3SbO8,-6.1713402693,-1.5384283619,0.0166352232,0.0166352232,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_3ij_a:Li-Ni-O-Sb, expected Li2Ni6SbO10 to be Li2Ni3SbO8" +mp-1303958,Li2Ni3SbO8,-6.1872563154,-1.554344408,0.0007191771,0.0007191771,GGA+U,R-3,A2B3C8D_hR42_148_c_d_cf_a:Li-Ni-O-Sb,28.0,A2B3C8D_hR42_148_c_d_cf_a:Li-Ni-O-Sb +mp-772333,Li2Ni3SbO8,-6.1734691193,-1.5405572119,0.0145063732,0.0145063732,GGA+U,P31c,A2B3C8D_hP28_159_ab_c_ab2c_b:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_159_a2b_c_a2b9c_b:Li-Ni-O-Sb, expected Li3Ni3SbO30 to be Li2Ni3SbO8" +mp-754735,Li2Ni3SbO8,-6.1707943957,-1.5378824883000002,0.0171810968,0.0171810968,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Ni-O-Sb,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Ni-O-Sb, expected Li2Ni3SbO10 to be Li2Ni3SbO8" +mp-1306720,Li2Ni3SbO8,-6.1750363586,-1.5421244512,0.0129391339,0.0129391339,GGA+U,R-3c,A2B3C8D_hR84_167_c_d_cf_a:Li-Ni-O-Sb,28.0,A2B3C8D_hR84_167_c_d_cf_a:Li-Ni-O-Sb +mp-771708,Li2Ni3SbO8,-6.1584176,-1.5255056926,0.0295578925,0.0295578925,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Ni-O-Sb, expected Li3Ni3SbO30 to be Li2Ni3SbO8" +mp-774819,Li2Ni3SbO8,-6.1664189841,-1.5335070767,0.0215565084,0.0215565084,GGA+U,P4_332,A2B3C8D_cP56_212_c_d_ce_a:Li-Ni-O-Sb,56.0,"Invalid WP multiplicities - A2B3C8D_cP56_212_c_d_8c9e_a:Li-Ni-O-Sb, expected Li2Ni3SbO70 to be Li2Ni3SbO8" +mp-775440,Li2Cr3NiO8,-7.5875246888,-2.0067650807,0.0585074567,0.0585074567,GGA+U,P1,A3B2CD8_aP56_1_12a_8a_4a_32a:Cr-Li-Ni-O,56.0,A3B2CD8_aP56_1_12a_8a_4a_32a:Cr-Li-Ni-O +mp-771776,Li2Cr3NiO8,-7.6009461071,-2.020186499,0.0450860383,0.0450860383,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2ch:Cr-Li-Ni-O, expected Li2Cr3NiO10 to be Li2Cr3NiO8" +mp-1178044,Li2Cr3NiO8,-7.5947530641,-2.013993456,0.0512790814,0.0512790814,GGA+U,P4_3,A3B2CD8_tP56_78_3a_2a_a_8a:Cr-Li-Ni-O,56.0,"Invalid WP multiplicities - A3B2CD8_tP56_78_12a_8a_a_32a:Cr-Li-Ni-O, expected Li8Cr12NiO32 to be Li2Cr3NiO8" +mp-775015,Li2Cr3NiO8,-7.5758384364,-1.9950788283,0.070193709,0.070193709,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Li-Ni-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Li-Ni-O +mp-772613,Li2Cr3NiO8,-7.58130411,-2.0005445019,0.0647280355,0.0647280355,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Cr-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Cr-Li-Ni-O, expected Li3Cr3NiO30 to be Li2Cr3NiO8" +mp-774237,Li5Cr2Ni5O12,-6.6290152329000005,-1.7493628492000002,0.0496072493,0.0496072493,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Cr-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a4c_a2bc_6c:Cr-Li-Ni-O, expected Li9Cr2Ni5O12 to be Li5Cr2Ni5O12" +mp-756855,Li5Cr2Ni3O10,-6.653001067,-1.8701007457,0.0449190831,0.0449190831,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ei_5i:Cr-Li-Ni-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ei_9i:Cr-Li-Ni-O, expected Li9Cr2(NiO6)3 to be Li5Cr2Ni3O10" +mp-756976,Li3Cr2(NiO4)2,-6.9281362547,-1.8503598153,0.0919685958,0.0919685958,GGA+U,C2/m,A2B3C2D8_mC30_12_e_bf_ac_2ij:Cr-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B3C2D8_mC30_12_f_a2e_bc_3i4j:Cr-Li-Ni-O, expected Li5Cr2(NiO11)2 to be Li3Cr2(NiO4)2" +mp-768676,Li3Cr3NiO8,-7.4157724138,-2.0798019218,0.0667951825,0.0667951825,GGA+U,P2/m,A3B3CD8_mP60_10_2n2o_acdh2o_2m_4m4n4o:Cr-Li-Ni-O,60.0,"Invalid WP multiplicities - A3B3CD8_mP60_10_4n4o_acdh4o_3m_7m8n8o:Cr-Li-Ni-O, expected Li10Cr12Ni3O31 to be Li3Cr3NiO8" +mp-756615,Li3Cr3NiO8,-7.4268160247,-2.0908455327,0.0557515716,0.0557515716,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Cr-Li-Ni-O,30.0,A3B3CD8_hR45_166_e_d_a_ch:Cr-Li-Ni-O +mp-780469,Li4Cr2Ni5O12,-6.6641181452,-1.6553036086,0.099127818,0.099127818,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Cr-Li-Ni-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Cr-Li-Ni-O, expected Li8Cr3(Ni5O12)2 to be Li4Cr2Ni5O12" +mp-1661518,Li4Ni3Sb5O16,-6.300625032,-1.8446204932,0.0581616947,0.0581616947,GGA+U,Pm,A4B3C16D5_mP56_6_4a4b_ab2c_8a8b8c_3a3b2c:Li-Ni-O-Sb,56.0,"Invalid WP multiplicities - A4B3C16D5_mP56_6_4a4b_ab2c_8a8b16c_3a3b4c:Li-Ni-O-Sb, expected Li4Ni3Sb7O24 to be Li4Ni3Sb5O16" +mp-774248,Li4Ni3Sb5O16,-6.2897521493,-1.8337476105,0.0690345774,0.0690345774,GGA+U,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_ab_8a6b_3a2b:Li-Ni-O-Sb, expected Li4Ni3Sb7O20 to be Li4Ni3Sb5O16" +mp-1177063,Li9Cr12Ni7O48,-7.1278417486,-1.7210142441,0.0357979347,0.0357979347,GGA+U,P1,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Ni-O,76.0,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Ni-O +mp-754443,Li4Cr3NiO8,-7.2528351856,-2.1310551702,0.0722702586,0.0722702586,GGA+U,P-1,A3B4CD8_aP16_2_ai_2i_b_4i:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_aP16_2_ai_2i_b_6i:Cr-Li-Ni-O, expected Li4Cr3NiO12 to be Li4Cr3NiO8" +mp-768700,Li4Cr3NiO8,-7.2998667553,-2.1780867399,0.0252386889,0.0252386889,GGA+U,P-1,A3B4CD8_aP32_2_bc2i_4i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_bc4i_7i_i_13i:Cr-Li-Ni-O, expected Li7Cr5NiO13 to be Li4Cr3NiO8" +mp-768717,Li4Cr3NiO8,-7.3016302866,-2.1798502711,0.0234751577,0.0234751577,GGA+U,P-1,A3B4CD8_aP32_2_3i_abcg2i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_5i_abcg4i_i_16i:Cr-Li-Ni-O, expected Li6Cr5NiO16 to be Li4Cr3NiO8" +mp-768769,Li4Cr3NiO8,-7.3012272941,-2.1794472786,0.0238781502,0.0238781502,GGA+U,P-1,A3B4CD8_aP32_2_3i_be3i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_5i_be5i_i_16i:Cr-Li-Ni-O, expected Li6Cr5NiO16 to be Li4Cr3NiO8" +mp-753765,Li4Cr3NiO8,-7.3025527362,-2.1807727208,0.022552708,0.022552708,GGA+U,P-1,A3B4CD8_aP32_2_ac2i_4i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_ac4i_8i_i_13i:Cr-Li-Ni-O, expected Li8Cr5NiO13 to be Li4Cr3NiO8" +mp-756061,Li4Cr3NiO8,-7.3017851894,-2.180005174,0.0233202548,0.0233202548,GGA+U,P-1,A3B4CD8_aP32_2_3i_ac3i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_6i_ac4i_i_16i:Cr-Li-Ni-O, expected Li5Cr6NiO16 to be Li4Cr3NiO8" +mp-1317583,Li4Cr3NiO8,-7.2675726416,-2.1457926261,0.0575328027,0.0575328027,GGA+U,P-1,A3B4CD8_aP32_2_adghi_bcef2i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_a2bdi_c3h2i_i_15i:Cr-Li-Ni-O, expected Li4Cr3NiO15 to be Li4Cr3NiO8" +mp-1311864,Li4Cr3NiO8,-7.3065379497,-2.1847579343,0.0185674945,0.0185674945,GGA+U,P-1,A3B4CD8_aP32_2_abcefh_4i_dg_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_2abd2e_8i_cd_16i:Cr-Li-Ni-O, expected Li8Cr3NiO16 to be Li4Cr3NiO8" +mp-1370081,Li4Cr3NiO8,-6.3373757053,-1.2155956899,0.9877297389,0.9877297389,GGA+U,P-1,A3B4CD8_aP32_2_3i_ac3i_i_8i:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_6i_ac4i_i_16i:Cr-Li-Ni-O, expected Li5Cr6NiO16 to be Li4Cr3NiO8" +mp-754209,Li4Cr3NiO8,-7.3077871181,-2.1860071027,0.0173183261,0.0173183261,GGA+U,P2/m,A3B4CD8_mP16_10_aj_ghk_b_mno:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_mP16_10_aj_cfl_b_2m2n2o:Cr-Li-Ni-O, expected Li4Cr3NiO16 to be Li4Cr3NiO8" +mp-754279,Li4Cr3NiO8,-7.3066155613,-2.1848355458,0.018489883,0.018489883,GGA+U,C2/m,A3B4CD8_mC32_12_ae_hi_b_2ij:Cr-Li-Ni-O,16.0,A3B4CD8_mC32_12_af_hi_b_2ij:Cr-Li-Ni-O +mp-755661,Li4Cr3NiO8,-7.3080691594,-2.186289144,0.0170362848,0.0170362848,GGA+U,C2/m,A3B4CD8_mC32_12_ah_ei_b_2ij:Cr-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_ah_ei_b_4i2j:Cr-Li-Ni-O, expected Li4Cr3NiO16 to be Li4Cr3NiO8" +mp-1290930,Li4Cr3NiO8,-7.3071676672,-2.1853876518,0.017937777,0.017937777,GGA+U,C2/m,A3B4CD8_mC64_12_adj_ef2i_bc_4i2j:Cr-Li-Ni-O,32.0,"Invalid WP multiplicities - A3B4CD8_aP32_2_ah2i_bcef2i_dg_15i:Cr-Li-Ni-O, expected Li4Cr3NiO15 to be Li4Cr3NiO8" +mp-754314,Li4Cr3NiO8,-7.3026439675,-2.1808639521,0.0224614767,0.0224614767,GGA+U,R-3m,A3B4CD8_hR48_166_d_ae_b_ch:Cr-Li-Ni-O,16.0,A3B4CD8_hR48_166_d_ae_b_ch:Cr-Li-Ni-O +mp-1211325,La2TiNiO6,-8.639669076,-3.3168915586,0.0110324063,0.0110324063,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Ni-O-Ti,40.0,A2BC6D_mP20_14_e_a_3e_b:La-Ni-O-Ti +mp-1079373,La2TiNiO6,-8.546707826,-3.2239303086,0.1039936563,0.1039936563,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Ti,10.0,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-Ti +mp-1147531,LaTiNiO4,-8.350103905,-2.8646195269,0.2832699812,0.2832699812,GGA+U,P4/nmm,ABC4D_tP14_129_c_a_2cf_c:La-Ni-O-Ti,14.0,ABC4D_tP14_129_c_a_2cf_c:La-Ni-O-Ti +mp-1223170,La2Ti3NiO10,-8.8382576988,-3.2879130705,0.1258628942,0.1258628942,GGA+U,I-4m2,A2BC10D3_tI32_119_e_c_2e3f_ae:La-Ni-O-Ti,16.0,"Invalid WP multiplicities - A2BC10D3_tI32_119_e_c_2e4f_ae:La-Ni-O-Ti, expected La2Ti3NiO12 to be La2Ti3NiO10" +mp-694960,NaLa2Ti2MnO9,-8.661637266,-3.2837881173,0.068759875,0.068759875,GGA+U,P1,A2BCD9E2_aP30_1_4a_2a_2a_18a_4a:La-Mn-Na-O-Ti,30.0,A2BCD9E2_aP30_1_4a_2a_2a_18a_4a:La-Mn-Na-O-Ti +mp-690559,NaLa2Ti2MnO9,-8.662061252,-3.2842121033,0.068335889,0.068335889,GGA+U,C2,A2BCD9E2_mC60_5_abc_c_c_ab8c_2c:La-Mn-Na-O-Ti,30.0,"Invalid WP multiplicities - A2BCD9E2_mC60_5_abc_c_c_ab14c_3c:La-Mn-Na-O-Ti, expected NaLa2Ti3MnO15 to be NaLa2Ti2MnO9" +mp-1173697,NaLa2Ti2MnO9,-8.661692824,-3.2838436753,0.068704317,0.068704317,GGA+U,Cm,A2BCD9E2_mC60_8_4a_2a_2a_6a6b_4a:La-Mn-Na-O-Ti,30.0,"Invalid WP multiplicities - A2BCD9E2_mC60_8_4a_2a_2a_6a12b_4a:La-Mn-Na-O-Ti, expected NaLa2Ti2MnO15 to be NaLa2Ti2MnO9" +mp-1173810,Na2La7Ti8Mn2O30,-8.9109532659,-3.4602241154,0.0515253179,0.0515253179,GGA+U,P1,A7B2C2D30E8_aP49_1_7a_2a_2a_30a_8a:La-Mn-Na-O-Ti,49.0,A7B2C2D30E8_aP49_1_7a_2a_2a_30a_8a:La-Mn-Na-O-Ti +mp-766831,Na4Ti5Mn4O18,-8.2306652274,-2.732083962,0.0257242575,0.0257242575,GGA+U,Pbam,A4B4C18D5_oP62_55_gh_2g_4g5h_agh:Mn-Na-O-Ti,62.0,"Invalid WP multiplicities - A4B4C18D5_oP62_55_3g2h_5g_12g20h_2a4g2h:Mn-Na-O-Ti, expected Na5Ti7Mn5O32 to be Na4Ti5Mn4O18" +mp-1173864,Na3La8Ti9Mn3O36,-8.7983547654,-3.3732378103,0.0714359661,0.0714359661,GGA+U,P1,A8B3C3D36E9_aP59_1_8a_3a_3a_36a_9a:La-Mn-Na-O-Ti,59.0,A8B3C3D36E9_aP59_1_8a_3a_3a_36a_9a:La-Mn-Na-O-Ti +mp-1209968,NaHoCl4,-4.7374168567,-2.5209033894,0.0,-0.0188437092,GGA,P-1,A4BC_aP12_2_4i_i_i:Cl-Ho-Na,12.0,A4BC_aP12_2_4i_i_i:Cl-Ho-Na +mp-23120,Cs2NaYCl6,-4.567437064,-2.5003349529,0.0,-0.0188916048,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Y,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Na-Y +mp-1226690,Cs8Na4Y3HoCl24,-4.520778488,-2.500777933,0.0003483892,0.0003483892,GGA,Pmmm,A24B8CD4E3_oP40_47_ij2u2vx_klw_a_bdr_ct:Cl-Cs-Ho-Na-Y,40.0,"Invalid WP multiplicities - A24B8CD4E3_oP40_47_2i2j8u8v4x_2k2l4w_a_bd2r_c2t:Cl-Cs-Ho-Na-Y, expected Cs24Na6Y5HoCl88 to be Cs8Na4Y3HoCl24" +mp-1226675,Cs8Na4Y3HoCl24,-4.5210203755,-2.5010198205,0.0001065017,0.0001065017,GGA,P4/mmm,A24B8CD4E3_tP40_123_2g2hjkr_2i_a_cdg_bh:Cl-Cs-Ho-Na-Y,40.0,"Invalid WP multiplicities - A24B8CD4E3_tP40_123_4g4h4j4k8r_5i_a_cd2g_b2h:Cl-Cs-Ho-Na-Y, expected Cs20Na6Y5HoCl112 to be Cs8Na4Y3HoCl24" +mp-29836,Na3HoCl6,-4.3297416305,-2.3656211595,0.0,-0.0092324945,GGA,P2_1/c,A6BC3_mP20_14_3e_a_de:Cl-Ho-Na,20.0,"Invalid WP multiplicities - A6BC3_mP20_14_6e_a_b2e:Cl-Ho-Na, expected Na5HoCl12 to be Na3HoCl6" +mp-542951,Cs2NaHoCl6,-4.382182784,-2.5034868972,0.0,-0.0191110915,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ho-Na,10.0,A6B2CD_cF40_225_e_c_a_b:Cl-Cs-Ho-Na +mp-1226101,Cs8Na4YHo3Cl24,-4.4285065035,-2.5027090607,0.0,-3.37035e-05,GGA,R-3m,A24B8C3D4E_hR120_166_4h_4c_ac_2c_b:Cl-Cs-Ho-Na-Y,40.0,"Invalid WP multiplicities - A24B8C3D4E_hR120_166_19h_7c_a2c_3c_b:Cl-Cs-Ho-Na-Y, expected Cs14Na6YHo5Cl114 to be Cs8Na4YHo3Cl24" +mp-555650,NdSeClO3,-6.5932419994,-2.4344650487,0.0,-0.0427680344,GGA,Pnma,ABC3D_oP48_62_2c_2c_2c2d_2c:Cl-Nd-O-Se,48.0,"Invalid WP multiplicities - ABC3D_oP48_62_3c_5c_7c12d_4c:Cl-Nd-O-Se, expected Nd5Se4Cl3O31 to be NdSeClO3" +mp-686599,SrNd10Se12(Cl2O9)4,-5.8313647806,-1.5897081777,0.8245462015,0.8069158638,GGA,Pc,A8B10C36D12E_mP134_7_8a_10a_36a_12a_a:Cl-Nd-O-Se-Sr,134.0,"Invalid WP multiplicities - A8B10C36D12E_mP134_7_16a_20a_72a_24a_a:Cl-Nd-O-Se-Sr, expected SrNd20Se24(Cl2O9)8 to be SrNd10Se12(Cl2O9)4" +mp-1218343,SrNd10Se12(Cl2O9)4,-6.6559109821,-2.4142543792,0.0,-0.0176303377,GGA,Cc,A8B10C36D12E_mC268_9_8a_10a_36a_12a_a:Cl-Nd-O-Se-Sr,134.0,A8B10C36D12E_mC268_9_8a_10a_36a_12a_a:Cl-Nd-O-Se-Sr +mp-39033,Sr(NdSe2)2,-5.8072331757,-2.2058854287,0.0,-0.0031852245,GGA,I-42d,A2B4C_tI28_122_d_e_a:Nd-Se-Sr,14.0,A2B4C_tI28_122_d_e_a:Nd-Se-Sr +mp-1197266,Nd7Se4Cl3O17,-7.2386789815,-2.8193242715,0.0,-0.0258610682,GGA,P-1,A3B7C17D4_aP62_2_3i_7i_17i_4i:Cl-Nd-O-Se,62.0,A3B7C17D4_aP62_2_3i_7i_17i_4i:Cl-Nd-O-Se +mp-1518441,CaSmEuSbO6,-8.0519291982,-2.972897066,0.083468053,0.083468053,GGA,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ca-Eu-O-Sb-Sm,,ABC6DE_oP40_16_abch_defg_6u_u_u:Ca-Eu-O-Sb-Sm +mp-1518467,CaSmEuSbO6,-7.967336899,-2.8883047668,0.1680603522,0.1680603522,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Sm +mp-1517734,SmEu2SbO6,-8.8865197627,-2.9823474385,0.0665100467,0.0665100467,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Sb-Sm,40.0,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Sb-Sm +mp-1517917,SmEu2SbO6,-8.831098211,-2.9269258867,0.1219315984,0.1219315984,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Sm +mp-653450,CuAg7As4ClO14,-5.3145577269,-1.1047150998,0.0168582968,0.0168582968,GGA,Cc,A7B4CDE14_mC108_9_7a_4a_a_a_14a:Ag-As-Cl-Cu-O,54.0,"Invalid WP multiplicities - A7B4CDE14_mC108_9_13a_6a_a_a_27a:Ag-As-Cl-Cu-O, expected CuAg13As6ClO27 to be CuAg7As4ClO14" +mp-556402,CuAg5As3O11,-5.4528277358,-1.1201818495,0.0018660457,0.0018660457,GGA,P-1,A5B3CD11_aP40_2_5i_3i_bd_11i:Ag-As-Cu-O,40.0,"Invalid WP multiplicities - A5B3CD11_aP40_2_10i_5i_bd_21i:Ag-As-Cu-O, expected CuAg10As5O21 to be CuAg5As3O11" +mp-617283,Cu2AsClO4,-5.5008089275,-1.1892060213,0.0472371119,0.0472371119,GGA,P2_1/m,ABC2D4_mP16_11_e_e_ae_2ef:As-Cl-Cu-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_11_e_e_ae_3e3f:As-Cl-Cu-O, expected Cu2AsClO9 to be Cu2AsClO4" +mp-1195958,CuAg(AsO4)2,-5.6924956377,-1.0405365399,0.130846682,0.130846682,GGA,P2_1/c,AB2CD8_mP48_14_e_2e_e_8e:Ag-As-Cu-O,48.0,AB2CD8_mP48_14_e_2e_e_8e:Ag-As-Cu-O +mp-532348,Cu29(Ag6As7)2,-3.924335382,0.0410341296,0.0410341296,0.0410341296,GGA,P1,A12B14C29_aP110_1_24a_28a_58a:Ag-As-Cu,110.0,A12B14C29_aP110_1_24a_28a_58a:Ag-As-Cu +mp-1213317,Cu4AsClO6,-5.5217019133,-1.1396507456,0.0,-0.0008782938,GGA,Pbcm,ABC4D6_oP48_57_c_d_2de_3e:As-Cl-Cu-O,48.0,ABC4D6_oP48_57_c_d_2de_3e:As-Cl-Cu-O +mp-14455,Cu4Ag(AsO4)3,-5.9019656943,-1.2736155726,0.0,-0.0087509419,GGA,C2/c,AB3C4D12_mC80_15_e_ef_2ef_6f:Ag-As-Cu-O,40.0,"Invalid WP multiplicities - AB3C4D12_mC80_15_e_e2f_2e2f_6f:Ag-As-Cu-O, expected Cu6AgAs5O12 to be Cu4Ag(AsO4)3" +mp-1516679,NaNdHf4O12,-9.0471918472,-3.1983199927,0.1809627534,0.1809627534,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Hf-Na-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Hf-Na-Nd-O, expected NaNdHf4O18 to be NaNdHf4O12" +mp-1516757,NaNdHf2O6,-9.091403624,-3.5228853187,0.0935367237,0.0935367237,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Hf-Na-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_d:Hf-Na-Nd-O +mp-1520207,BaNaNdSeO6,-6.480093023,-2.3615238819,0.1302323772,0.1302323772,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nd-O-Se,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nd-O-Se +mp-1210496,NaNd(SeO5)2,-5.8785955988000005,-1.4107825421,0.1732424382,0.1732424382,GGA,P2_1/c,ABC10D2_mP56_14_e_e_10e_2e:Na-Nd-O-Se,56.0,ABC10D2_mP56_14_e_e_10e_2e:Na-Nd-O-Se +mp-1224856,Ga2Ag2SeS3,-4.1917494363,-0.738428795,0.0044686628,0.0044686628,GGA,C2,A2B2C3D_mC16_5_c_c_ac_b:Ag-Ga-S-Se,8.0,A2B2C3D_mC16_5_c_c_ac_b:Ag-Ga-S-Se +mp-1213864,CdGa(AgSe2)2,-3.5382734744,-0.5883055119,0.0356775857,0.0356775857,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Ag-Cd-Ga-Se,16.0,A2BCD4_oP16_31_b_a_a_2ab:Ag-Cd-Ga-Se +mp-1226958,Cd2GaAgSe4,-3.4171763938,-0.7059167117,0.0672046569,0.0672046569,GGA,Pm,AB2CD4_mP8_6_a_2b_a_2a2b:Ag-Cd-Ga-Se,8.0,AB2CD4_mP8_6_a_2b_a_2a2b:Ag-Cd-Ga-Se +mp-1226972,Cd2GaAgSe4,-3.43519503,-0.7239353479,0.0491860206,0.0491860206,GGA,Cm,AB2CD4_mC16_8_a_2a_a_4a:Ag-Cd-Ga-Se,8.0,AB2CD4_mC16_8_a_2a_a_4a:Ag-Cd-Ga-Se +mp-1224864,Ga2Ag2Se3S,-3.9962837475,-0.7030977036,0.0049547897,0.0049547897,GGA,C2,A2B2CD3_mC16_5_c_c_a_bc:Ag-Ga-S-Se,8.0,A2B2CD3_mC16_5_c_c_a_bc:Ag-Ga-S-Se +mp-1226810,CdGa2(SeS)2,-4.1052967757,-0.9276104194,0.0038565679,0.0038565679,GGA,C2,AB2C2D2_mC14_5_a_ab_c_c:Cd-Ga-S-Se,7.0,AB2C2D2_mC14_5_a_ab_c_c:Cd-Ga-S-Se +mp-1224820,GaAgSeS,-4.0930302888,-0.7197769462,0.0056980294,0.0056980294,GGA,Cc,ABCD_mC16_9_a_a_a_a:Ag-Ga-S-Se,8.0,ABCD_mC16_9_a_a_a_a:Ag-Ga-S-Se +mp-1224845,GaAgSeS,-4.0912136787,-0.7179603362,0.0075146394,0.0075146394,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Ag-Ga-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Ag-Ga-S-Se +mp-1213860,CdGa(AgS2)2,-3.8820084562,-0.6117712992000001,0.0452989928,0.0452989928,GGA,Pmn2_1,A2BCD4_oP16_31_b_a_a_2ab:Ag-Cd-Ga-S,16.0,A2BCD4_oP16_31_b_a_a_2ab:Ag-Cd-Ga-S +mp-6356,Cd2GaAgS4,-3.8541187463,-0.8225898696,0.0,-0.0005099725,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Ag-Cd-Ga-S,16.0,AB2CD4_oP16_31_a_b_a_2ab:Ag-Cd-Ga-S +mp-1226965,Cd2GaAg(SeS)2,-3.5806927962,-0.7092985169,0.0986678162,0.0986678162,GGA,Pm,AB2CD2E2_mP8_6_a_2b_a_2b_2a:Ag-Cd-Ga-S-Se,8.0,AB2CD2E2_mP8_6_a_2b_a_2b_2a:Ag-Cd-Ga-S-Se +mp-1226974,Cd2GaAg(SeS)2,-3.5943643213,-0.7229700419,0.0849962912,0.0849962912,GGA,Cm,AB2CD2E2_mC16_8_a_2a_a_2a_2a:Ag-Cd-Ga-S-Se,8.0,AB2CD2E2_mC16_8_a_2a_a_2a_2a:Ag-Cd-Ga-S-Se +mp-1265053,Mn3Al2F15,-6.2520376897,-3.0695685873,0.1385459823,0.1385459823,GGA+U,P2_1/m,A2B15C3_mP40_11_2e_3e6f_af:Al-F-Mn,40.0,"Invalid WP multiplicities - A2B15C3_mP40_11_3e_5e20f_2a3f:Al-F-Mn, expected Mn8Al3F45 to be Mn3Al2F15" +mp-1214705,Ba2MnAl2CuF14,-6.1115976997,-3.5440462474,0.00517432,0.00517432,GGA+U,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Al-Ba-Cu-F-Mn,40.0,A2B2CD14E_mC80_15_f_f_c_7f_e:Al-Ba-Cu-F-Mn +mp-1358927,Mn3AlF15,-5.6487310508,-2.4958991445,0.2124143236,0.2124143236,GGA+U,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Mn,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Mn, expected Mn6AlF54 to be Mn3AlF15" +mp-28850,MnAlF5,-6.6841740236,-3.4748903151,0.0088913286,0.0088913286,GGA+U,Cmcm,AB5C_oC28_63_c_c2f_a:Al-F-Mn,14.0,"Invalid WP multiplicities - AB5C_oC28_63_c_c3f_a:Al-F-Mn, expected MnAlF7 to be MnAlF5" +mp-1251981,MnAlF5,-6.6839790486,-3.4746953401000003,0.0090863036,0.0090863036,GGA+U,Immm,AB5C_oI14_71_a_ceg_b:Al-F-Mn,7.0,AB5C_oI14_71_a_ceg_b:Al-F-Mn +mp-1228786,Ba2AlCuF9,-5.7748538981,-3.5528505837,0.0166217054,0.0166217054,GGA,P2_1,AB2CD9_mP26_4_a_2a_a_9a:Al-Ba-Cu-F,26.0,AB2CD9_mP26_4_a_2a_a_9a:Al-Ba-Cu-F +mp-561318,Ba2AlCu2F11,-5.5453493292000005,-3.2448363484,0.0,-0.0021465516,GGA,P3_2,AB2C2D11_hP48_145_a_2a_2a_11a:Al-Ba-Cu-F,48.0,"Invalid WP multiplicities - AB2C2D11_hP48_145_a_5a_5a_31a:Al-Ba-Cu-F, expected Ba5AlCu5F31 to be Ba2AlCu2F11" +mp-556036,Ba3Al2Cu2F16,-5.7487598185,-3.4865792402,0.0020156015,0.0020156015,GGA,P2_1,A2B3C2D16_mP46_4_2a_3a_2a_16a:Al-Ba-Cu-F,46.0,"Invalid WP multiplicities - A2B3C2D16_mP46_4_3a_4a_4a_31a:Al-Ba-Cu-F, expected Ba4Al3Cu4F31 to be Ba3Al2Cu2F16" +mp-1044811,Ba2Mn2AlF11,-6.5626103154,-3.6292462569,0.0387866586,0.0387866586,GGA+U,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-Mn,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-Mn, expected Ba5Mn5AlF31 to be Ba2Mn2AlF11" +mp-1045769,Ba2Mn2CuF14,-5.7573989739,-2.9667730435,0.0,-0.0970946463,GGA+U,C2/c,A2BC14D2_mC76_15_f_a_7f_f:Ba-Cu-F-Mn,38.0,"Invalid WP multiplicities - A2BC14D2_mC76_15_f_c_24f_f:Ba-Cu-F-Mn, expected Ba2Mn2CuF48 to be Ba2Mn2CuF14" +mp-553943,Ba4Al3Cu2F21,-5.8566719676000005,-3.6149353373,0.0036640341,0.0036640341,GGA,P2_12_12_1,A3B4C2D21_oP120_19_3a_4a_2a_21a:Al-Ba-Cu-F,120.0,"Invalid WP multiplicities - A3B4C2D21_oP120_19_7a_13a_4a_82a:Al-Ba-Cu-F, expected Ba13Al7Cu4F82 to be Ba4Al3Cu2F21" +mp-1214444,BaMnAlF7,-6.5367758807000005,-3.7160839973,0.0064452305,0.0064452305,GGA+U,C2/c,ABC7D_mC80_15_f_f_7f_ae:Al-Ba-F-Mn,40.0,ABC7D_mC80_15_f_f_7f_ce:Al-Ba-F-Mn +mp-1518432,NaEuHf2O6,-9.509665493,-3.3922617509,0.074723602,0.074723602,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Eu-Hf-Na-O,10.0,AB2CD6_cF40_225_a_c_b_d:Eu-Hf-Na-O +mp-1522824,NaEuHfSnO6,-8.341273726,-2.8186317014,0.155075458,0.155075458,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Sn +mp-1518553,NaEuHfNbO6,-9.415845913,-3.2840305699,0.0144793104,0.0144793104,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Eu-Hf-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Eu-Hf-Na-Nb-O +mp-1518357,Eu2HfNbO6,-10.42160128,-3.3963382863,0.042261904,0.042261904,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-Hf-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-Hf-Nb-O +mp-1327823,Ca3Ni2(GeO4)3,-6.8064194436,-2.2660983886,0.0504668353,0.0504668353,GGA+U,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Ni-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:Ca-Ge-Ni-O +mp-1043139,CaNi(GeO3)2,-6.9294829422,-2.2582904885,0.0185255652,0.0170280269,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Ca-Ge-Ni-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Ca-Ge-Ni-O +mp-1043165,CaNi(GeO3)2,-6.9480085075,-2.2768160538,0.0,-0.0014975383,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Ca-Ge-Ni-O,40.0,AB2CD6_mC40_15_e_f_e_3f:Ca-Ge-Ni-O +mp-1205745,Er2MgCu2,-4.027298218,-0.240472016,0.0,-0.0170252692,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Cu-Er-Mg,10.0,A2B2C_tP10_127_g_h_a:Cu-Er-Mg +mp-2241055,Ba2ErMg(CuO2)4,-6.1188458031,-1.9953279838,0.205521982,0.205521982,GGA,P2/m,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Er-Mg-O,16.0,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Er-Mg-O +mp-1218599,Sr6Pr3Cu6O17,-6.6054402772,-2.4439207117,0.0134273415,0.0134273415,GGA,Imm2,A6B17C3D6_oI64_44_ce_acd3e_bd_ce:Cu-O-Pr-Sr,32.0,A6B17C3D6_oI64_44_ce_acd3e_bd_ce:Cu-O-Pr-Sr +mp-1188561,Pr5CuBi3,-5.112177795,-0.7204885911000001,0.005579069,0.005579069,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Pr,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-Pr +mp-1516990,Sr2PrBiO6,-6.9430256325,-2.7749742266,0.0,-0.0344810591,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Bi-O-Pr-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Bi-O-Pr-Sr +mp-1516905,Sr2PrBiO6,-6.8986733017,-2.7306218958,0.0443523307,0.0098712717,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Pr-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Pr-Sr +mp-1517044,Sr2PrBiO6,-6.800499354,-2.6324479481000003,0.1425262785,0.1080452194,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-O-Pr-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-O-Pr-Sr +mp-1208752,Sr2PrCu2(BiO4)2,-6.36488981,-2.1240368799,0.1121055123,0.1121055123,GGA,I4/mmm,A2B2C8DE2_tI30_139_e_e_2eg_a_e:Bi-Cu-O-Pr-Sr,15.0,A2B2C8DE2_tI30_139_e_e_2eg_a_e:Bi-Cu-O-Pr-Sr +mp-641487,EuMn4(CuO4)3,-7.6922292615,-1.7640818858,0.0159068333,0.0159068333,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Eu-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Eu-Mn-O +mp-1517893,NaSrNbBiO6,-7.097898463,-2.4345039446,0.1351545146,0.1351545146,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Na-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Na-Nb-O-Sr +mp-1221291,Na3Nb6Bi5O24,-7.8565918692,-2.5276871103,0.0149729403,0.0149729403,GGA,P1,A5B3C6D24_aP38_1_5a_3a_6a_24a:Bi-Na-Nb-O,38.0,A5B3C6D24_aP38_1_5a_3a_6a_24a:Bi-Na-Nb-O +mp-1522192,Na2NbBiO6,-6.725557858,-2.0988601556,0.121667607,0.121667607,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Na-Nb-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Na-Nb-O +mp-1210214,NaNb2Bi2O9,-7.6394515314,-2.3732863861,0.0443422799,0.0443422799,GGA,Cmc2_1,A2BC2D9_oC56_36_b_a_b_a4b:Bi-Na-Nb-O,28.0,A2BC2D9_oC56_36_b_a_b_a4b:Bi-Na-Nb-O +mp-1221019,NaNb4Bi5O18,-7.7903155979,-2.4342231726,0.0,-0.0045344269,GGA,Cm,A5BC4D18_mC56_8_a2b_a_2b_2a8b:Bi-Na-Nb-O,28.0,A5BC4D18_mC56_8_a2b_a_2b_2a8b:Bi-Na-Nb-O +mp-23614,SrNb2Bi2O9,-7.9808407318,-2.688463575,0.0,-0.0114678223,GGA,Cmc2_1,A2B2C9D_oC56_36_b_b_a4b_a:Bi-Nb-O-Sr,28.0,"Invalid WP multiplicities - A2B2C9D_oC56_36_b_b_a5b_a:Bi-Nb-O-Sr, expected SrNb2Bi2O11 to be SrNb2Bi2O9" +mp-1518801,Sr2NbBiO6,-7.5251595888,-2.8250682543,0.0606823335,0.0606823335,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Nb-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Nb-O-Sr +mp-1518803,Sr2NbBiO6,-7.444373428,-2.7442820936,0.1414684942,0.1414684942,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Nb-O-Sr +mp-1206136,BaPrFeCuO5,-7.3089747533,-2.4198022943,0.0020511947,0.0020511947,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Pr,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Pr +mp-1228619,Ba4Pr4Fe4Cu4O21,-7.268424387,-2.3776974347,0.0250720067,0.0250720067,GGA+U,I4/mmm,A4B4C4D21E4_tI74_139_g_2e_2e_a2e2m_cd:Ba-Cu-Fe-O-Pr,37.0,"Invalid WP multiplicities - A4B4C4D21E4_tI74_139_g_3e_4e_a2e16m_2c2d:Ba-Cu-Fe-O-Pr, expected Ba4Pr8Fe8Cu6O133 to be Ba4Pr4Fe4Cu4O21" +mp-1228608,Ba6Pr2Fe4O15,-7.4603757619,-2.6768173671,0.0,-0.0326544014,GGA+U,Cc,A6B4C15D2_mC108_9_6a_4a_15a_2a:Ba-Fe-O-Pr,54.0,"Invalid WP multiplicities - A6B4C15D2_mC108_9_9a_7a_30a_4a:Ba-Fe-O-Pr, expected Ba9Pr4Fe7O30 to be Ba6Pr2Fe4O15" +mp-532691,Ca6Nd6Mn11CrO36,-8.2293598795,-2.7433849935,0.0246490174,0.0246490174,GGA+U,P1,A6BC11D6E36_aP60_1_6a_a_11a_6a_36a:Ca-Cr-Mn-Nd-O,60.0,A6BC11D6E36_aP60_1_6a_a_11a_6a_36a:Ca-Cr-Mn-Nd-O +mp-699041,Ca5Nd5Mn9CrO30,-8.2524860582,-2.7648743982,0.0060159024,0.0060159024,GGA+U,P1,A5BC9D5E30_aP100_1_10a_2a_18a_10a_60a:Ca-Cr-Mn-Nd-O,100.0,A5BC9D5E30_aP100_1_10a_2a_18a_10a_60a:Ca-Cr-Mn-Nd-O +mp-1521061,Eu2TiNbO6,-10.169371741,-3.3502784486,0.0077496655,0.0077496655,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Ti,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Ti +mp-1519303,NdEuTi4O12,-8.4367776756,-2.549700907,0.8042330533000001,0.8042330533000001,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-Nd-O-Ti, expected NdEuTi4O18 to be NdEuTi4O12" +mp-1521018,NdEu2NbO6,-9.8331071702,-3.3267483363,0.0819970865,0.0819970865,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Eu-Nb-Nd-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Eu-Nb-Nd-O +mp-1521261,NdEu2NbO6,-9.727502736,-3.221143902,0.1876015208,0.1876015208,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-Nb-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-Nb-Nd-O +mp-1517474,NdEuTiNbO6,-9.542188242,-3.2719803863,0.1569537948,0.1569537948,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Nb-Nd-O-Ti,,ABCD6E_cF40_216_c_a_d_f_b:Eu-Nb-Nd-O-Ti +mp-997488,Ca3TiNiO6,-6.4922667595,-2.0038521592,1.036903997,1.036903997,GGA+U,C2/c,A3BC6D_mC44_15_ef_e_3f_c:Ca-Ni-O-Ti,22.0,"Invalid WP multiplicities - A3BC6D_mC44_15_2e2f_e_11f_c:Ca-Ni-O-Ti, expected Ca6TiNiO22 to be Ca3TiNiO6" +mp-997184,Ca3TiNiO6,-7.4709487073,-2.9825341069,0.0582220493,0.0582220493,GGA+U,R-3c,A3BC6D_hR66_167_e_a_f_b:Ca-Ni-O-Ti,22.0,A3BC6D_hR66_167_e_a_f_b:Ca-Ni-O-Ti +mp-1516799,CaNdTi4O12,-8.5705448906,-3.1418793398,0.160873277,0.160873277,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ca-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ca-Nd-O-Ti, expected CaNdTi4O18 to be CaNdTi4O12" +mp-754100,Li2FeCuO4,-6.1776401975,-1.6559116402,0.0424835859,0.0424835859,GGA+U,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Cu-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_mP8_10_b_g_ce_2m2n:Cu-Fe-Li-O, expected Li2FeCuO8 to be Li2FeCuO4" +mp-755826,Li2FeCuO4,-6.1775104925,-1.6557819352,0.0426132909,0.0426132909,GGA+U,Imma,ABC2D4_oI32_74_a_c_bd_hi:Cu-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oI32_74_a_c_2b2d_4h3i:Cu-Fe-Li-O, expected Li4FeCuO14 to be Li2FeCuO4" +mp-1177950,Li2FeCuO4,-6.2108196363,-1.689091079,0.0093041472,0.0093041472,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Cu-Fe-Li-O,16.0,ABC2D4_tI16_119_a_c_bd_ef:Cu-Fe-Li-O +mp-756959,Li3Fe3CuO8,-6.54123578,-1.5539325407,0.1568563418,0.1568563418,GGA+U,C2/m,AB3C3D8_mC30_12_a_be_cf_2ij:Cu-Fe-Li-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_b_af_ce_4i3j:Cu-Fe-Li-O, expected Li3Fe3CuO20 to be Li3Fe3CuO8" +mp-771398,Li3Fe3CuO8,-6.6544751853,-1.667171946,0.0436169364,0.0436169364,GGA+U,R-3m,AB3C3D8_hR45_166_a_e_d_ch:Cu-Fe-Li-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_e_d_2c2h:Cu-Fe-Li-O, expected Li3Fe3CuO16 to be Li3Fe3CuO8" +mp-753104,Li4Fe3CuO8,-6.5801670637,-1.7852625977,0.0367214627,0.0367214627,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Cu-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_hR48_166_a_e_b2d_2ch:Cu-Fe-Li-O, expected Li7Fe3CuO10 to be Li4Fe3CuO8" +mp-775462,LiFeCuO4,-6.2990349814,-1.4040484683,0.0364397858,0.0364397858,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Cu-Fe-Li-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h3i:Cu-Fe-Li-O, expected LiFeCuO10 to be LiFeCuO4" +mp-757148,Li5Fe5(CuO6)2,-6.7058533554,-1.728628428,0.0499208324,0.0499208324,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2bc_a2c_6c:Cu-Fe-Li-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2bc_a4c_6c:Cu-Fe-Li-O, expected Li9Fe5(CuO6)2 to be Li5Fe5(CuO6)2" +mp-781767,Li3Fe2(CuO4)2,-6.204771222,-1.5088556187000002,0.0701051739,0.0701051739,GGA+U,P-1,A2B2C3D8_aP15_2_bf_ac_deg_4i:Cu-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_aP15_2_bf_ac_deg_7i:Cu-Fe-Li-O, expected Li3Fe2(CuO7)2 to be Li3Fe2(CuO4)2" +mp-755106,Li3Fe2(CuO4)2,-6.1164255547,-1.4205099513,0.1584508413,0.1584508413,GGA+U,C2/m,A2B2C3D8_mC30_12_ac_e_bf_2ij:Cu-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_mC30_12_bc_f_a2e_4ij:Cu-Fe-Li-O, expected Li5Fe2(CuO6)2 to be Li3Fe2(CuO4)2" +mp-849448,Li2Fe2CuO6,-6.5067343282,-1.5488045927,0.0766082854,0.0766082854,GGA+U,P1,AB2C2D6_aP33_1_3a_6a_6a_18a:Cu-Fe-Li-O,33.0,"Invalid WP multiplicities - AB2C2D6_aP33_2_ai_4i_5i_18i:Cu-Fe-Li-O, expected Li10Fe8(CuO12)3 to be Li2Fe2CuO6" +mp-1177754,Li3Fe(CuO2)4,-5.7765906069,-1.3911452206,0.0567145542,0.0567145542,GGA+U,C2/m,A4BC3D8_mC32_12_ade_b_cf_2ij:Cu-Fe-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_ace_d_b2f_3i2j:Cu-Fe-Li-O, expected Li5Fe(Cu2O7)2 to be Li3Fe(CuO2)4" +mp-755201,Li3Fe(CuO3)2,-5.9062874258,-1.566676141,0.049326529,0.049326529,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Cu-Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_di_5i:Cu-Fe-Li-O, expected Li3Fe(CuO5)2 to be Li3Fe(CuO3)2" +mp-774280,Li2Fe3CuO8,-6.7041190396,-1.496931488,0.0867771911,0.0867771911,GGA+U,P1,AB3C2D8_aP56_1_4a_12a_8a_32a:Cu-Fe-Li-O,56.0,AB3C2D8_aP56_1_4a_12a_8a_32a:Cu-Fe-Li-O +mp-755351,Li2Fe3CuO8,-6.708238995,-1.5010514433000002,0.0826572357,0.0826572357,GGA+U,P-1,AB3C2D8_aP14_2_a_bdf_ch_4i:Cu-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_aP14_2_a_bdf_ch_7i:Cu-Fe-Li-O, expected Li2Fe3CuO14 to be Li2Fe3CuO8" +mp-1178069,Li2Fe3CuO8,-6.7001289536,-1.4929414019,0.0907672772,0.0907672772,GGA+U,C2/m,AB3C2D8_mC28_12_a_be_f_2ij:Cu-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_mC28_12_a_bf_e_3i2j:Cu-Fe-Li-O, expected Li2Fe3CuO14 to be Li2Fe3CuO8" +mp-759907,Li2Fe3CuO8,-6.6970737957,-1.489886244,0.093822435,0.093822435,GGA+U,R3m,AB3C2D8_hR42_160_a_b_2a_2a2b:Cu-Fe-Li-O,14.0,AB3C2D8_hR42_160_a_b_2a_2a2b:Cu-Fe-Li-O +mp-772177,Li2Fe3CuO8,-6.7417799143,-1.5345923626,0.0491163165,0.0491163165,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cu-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2ch:Cu-Fe-Li-O, expected Li2Fe3CuO10 to be Li2Fe3CuO8" +mp-768294,Li2Fe3CuO8,-6.7042586911,-1.4970711394,0.0866375397,0.0866375397,GGA+U,P6_3mc,AB3C2D8_hP28_186_b_c_ab_ab2c:Cu-Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C2D8_hP28_186_b_c_a2b_a2b9c:Cu-Fe-Li-O, expected Li3Fe3CuO30 to be Li2Fe3CuO8" +mp-772934,Li2Fe3CuO8,-6.7059704846,-1.498782933,0.0849257461,0.0849257461,GGA+U,P2_13,AB3C2D8_cP56_198_a_b_2a_2a2b:Cu-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_198_a_b_5a_8a13b:Cu-Fe-Li-O, expected Li5Fe3CuO47 to be Li2Fe3CuO8" +mp-775479,Li2Fe3CuO8,-6.7483224602,-1.5411349085,0.0425737706,0.0425737706,GGA+U,P4_332,AB3C2D8_cP56_212_a_d_c_ce:Cu-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_212_a_d_c_8c9e:Cu-Fe-Li-O, expected Li2Fe3CuO70 to be Li2Fe3CuO8" +mp-756110,Li2Fe(CuO3)2,-5.9020219118,-1.3414389527,0.1029508664,0.1029508664,GGA+U,C2/m,A2BC2D6_mC22_12_i_a_i_3i:Cu-Fe-Li-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_12_i_a_i_6i:Cu-Fe-Li-O, expected Li2Fe(CuO6)2 to be Li2Fe(CuO3)2" +mp-849416,Li4Fe2Cu3O10,-5.9984716068,-1.4542483958,0.0978190842,0.0978190842,GGA+U,P-1,A3B2C4D10_aP19_2_ai_i_2i_5i:Cu-Fe-Li-O,19.0,"Invalid WP multiplicities - A3B2C4D10_aP19_2_ai_i_3i_9i:Cu-Fe-Li-O, expected Li6Fe2(CuO6)3 to be Li4Fe2Cu3O10" +mp-756375,Li4FeCu3O8,-5.7663048537,-1.5177522052,0.0570541867,0.0570541867,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Cu-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_ae_2c2h:Cu-Fe-Li-O, expected Li4FeCu3O16 to be Li4FeCu3O8" +mp-771233,Li5Fe2Cu3O10,-5.9900257285,-1.5775675347,0.0713921578,0.0713921578,GGA+U,P-1,A3B2C5D10_aP20_2_bi_i_d2i_5i:Cu-Fe-Li-O,20.0,"Invalid WP multiplicities - A3B2C5D10_aP20_2_bi_i_d4i_9i:Cu-Fe-Li-O, expected Li9Fe2(CuO6)3 to be Li5Fe2Cu3O10" +mp-756606,Li4Fe5Cu3O16,-6.4932390375,-1.4421520051,0.070934483,0.070934483,GGA+U,Cm,A3B5C4D16_mC56_8_ab_3ab_4a_8a4b:Cu-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B5C4D16_mC56_8_ab_3ab_4a_8a6b:Cu-Fe-Li-O, expected Li4Fe5Cu3O20 to be Li4Fe5Cu3O16" +mp-755180,Li3Fe2CuO6,-6.457106,-1.7532601702,0.0275276121,0.0275276121,GGA+U,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Cu-Fe-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_di_5i:Cu-Fe-Li-O, expected Li3Fe2CuO10 to be Li3Fe2CuO6" +mp-867783,Li6Fe5CuO12,-6.6734033408,-1.7874402385,0.0757400999,0.0757400999,GGA+U,C2/m,AB5C6D12_mC48_12_a_dgh_ij_2i2j:Cu-Fe-Li-O,24.0,"Invalid WP multiplicities - AB5C6D12_mC48_12_a_cgh_i2j_3i4j:Cu-Fe-Li-O, expected Li10Fe5CuO22 to be Li6Fe5CuO12" +mp-886266,Li5Fe3(CuO5)2,-3.462281729,1.1687171918,2.9165479516,2.9165479516,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_d2i_5i:Cu-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_d4i_9i:Cu-Fe-Li-O, expected Li9Fe3(CuO9)2 to be Li5Fe3(CuO5)2" +mp-1369722,Li5Fe3(CuO5)2,-5.192234062,-0.5612351412000001,1.1865956186,1.1865956186,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_c2i_5i:Cu-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_c4i_9i:Cu-Fe-Li-O, expected Li9Fe3(CuO9)2 to be Li5Fe3(CuO5)2" +mp-756367,Li3Fe4CuO8,-6.9105318694,-1.7055587569,0.0840578573,0.0840578573,GGA+U,C2/m,AB4C3D8_mC32_12_a_bcf_de_2ij:Cu-Fe-Li-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_bcf_d2e_3i2j:Cu-Fe-Li-O, expected Li5Fe4CuO14 to be Li3Fe4CuO8" +mp-771350,Li3FeCu3O8,-5.740468612,-1.3359406447,0.1102699047,0.1102699047,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Cu-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_2c2h:Cu-Fe-Li-O, expected Li3FeCu3O16 to be Li3FeCu3O8" +mp-771192,Li5Fe2Cu5O12,-5.8707023862,-1.4398292763,0.0915423156,0.0915423156,GGA+U,C2,A5B2C5D12_mC48_5_a2bc_ab_a2c_6c:Cu-Fe-Li-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a2bc_ab_a4c_6c:Cu-Fe-Li-O, expected Li9Fe2Cu5O12 to be Li5Fe2Cu5O12" +mp-1519771,Sr2TbTiO6,-7.85867624,-3.2997785109,0.1236557324,0.1236557324,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-Ti,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-Ti +mp-1522242,SrCaTbTiO6,-7.823913502,-3.2334051303,0.2017579018,0.2017579018,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Tb-Ti,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Tb-Ti +mp-2231888,MgZn2(BiO3)4,-5.61430333,-1.4647249971,0.1922607739,0.1922607739,GGA,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn +mp-2230273,MgZn2(BiO3)4,-5.7013581774,-1.5517798445,0.1052059266,0.1052059266,GGA,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn +mp-2230573,MgZn2(BiO3)4,-5.70995648,-1.5603781471,0.0966076239,0.0966076239,GGA,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Zn +mp-1032529,Mg6ZnBiO8,-5.7649518969,-2.3727379762,0.3148913081,0.3148913081,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Zn, expected Mg6ZnBiO12 to be Mg6ZnBiO8" +mp-1032565,Mg6ZnBiO8,-5.7834200781,-2.3912061575,0.2964231269,0.2964231269,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Zn, expected Mg6ZnBiO12 to be Mg6ZnBiO8" +mp-1035784,Mg14ZnBiO16,-6.0358902803,-2.7030411297,0.1677936622,0.1677936622,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Zn, expected Mg18ZnBiO20 to be Mg14ZnBiO16" +mp-1035769,Mg14ZnBiO16,-6.0375542859,-2.7047051353,0.1661296566,0.1661296566,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Zn, expected Mg30ZnBiO32 to be Mg14ZnBiO16" +mp-1027905,Mg14ZnBi,-1.7252750731000002,-0.0062654831,0.0617288447,0.0617288447,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Zn, expected Mg18ZnBi to be Mg14ZnBi" +mp-1027906,Mg14ZnBi,-1.7397669256,-0.0207573356,0.0472369922,0.0472369922,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Zn, expected Mg26ZnBi to be Mg14ZnBi" +mp-2229087,MgZn2(Bi2O5)2,-5.6951915982,-1.6393909569,0.1689930674,0.1689930674,GGA,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Bi-Mg-O-Zn,17.0,"Invalid WP multiplicities - A4BC10D2_mP17_6_3c_a_ab7c_ab:Bi-Mg-O-Zn, expected MgZn2(Bi3O8)2 to be MgZn2(Bi2O5)2" +mp-1037109,Mg30ZnBiO32,-6.1806355353,-2.8774687697,0.0849687759,0.0849687759,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Zn, expected Mg110ZnBiO72 to be Mg30ZnBiO32" +mp-1037110,Mg30ZnBiO32,-6.1825768758,-2.8794101102000003,0.0830274355,0.0830274355,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Zn, expected Mg90ZnBiO80 to be Mg30ZnBiO32" +mp-1022588,Mg6ZnBi,-1.8543923262,-0.0166531963,0.0928734757,0.0928734757,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Zn, expected Mg12ZnBi to be Mg6ZnBi" +mp-1022592,Mg6ZnBi,-1.8602315131,-0.0224923831,0.0870342888,0.0870342888,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Zn, expected Mg12ZnBi to be Mg6ZnBi" +mp-2228505,MgZn2Bi3O8,-5.7552546629,-1.8113443521,0.057523268,0.057523268,GGA,P-1,A3BC8D2_aP14_2_ai_c_4i_i:Bi-Mg-O-Zn,14.0,"Invalid WP multiplicities - A3BC8D2_aP14_2_ai_c_5i_i:Bi-Mg-O-Zn, expected MgZn2Bi3O10 to be MgZn2Bi3O8" +mp-2226516,MgZn2Bi3O8,-5.5777993493,-1.6338890386,0.2349785816,0.2349785816,GGA,C2,A3BC8D2_mC28_5_a2b_a_4c_c:Bi-Mg-O-Zn,14.0,"Invalid WP multiplicities - A3BC8D2_mC28_5_a2b_a_6c_c:Bi-Mg-O-Zn, expected MgZn2(BiO4)3 to be MgZn2Bi3O8" +mp-2228449,MgZn2Bi3O8,-5.6817166893,-1.7378063786,0.1310612416,0.1310612416,GGA,Cm,A3BC8D2_mC28_8_ab_a_4a2b_2a:Bi-Mg-O-Zn,14.0,A3BC8D2_mC28_8_ab_a_4a2b_2a:Bi-Mg-O-Zn +mp-1096481,MgZn2Ru,-1.4713040725,1.87723838,2.0227301477,2.0227301477,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Ru-Zn,4.0,ABC2_oI8_71_a_b_e:Mg-Ru-Zn +mp-1233993,MgZn2Bi6Ru8O27,-6.8620477775,-1.5229905599,0.1004339427,0.1004339427,GGA,P1,A6BC27D8E2_aP44_1_6a_a_27a_8a_2a:Bi-Mg-O-Ru-Zn,44.0,A6BC27D8E2_aP44_1_6a_a_27a_8a_2a:Bi-Mg-O-Ru-Zn +mp-1234306,MgZn2Bi6Ru8O27,-6.8395366668,-1.5004794492,0.1229450534,0.1229450534,GGA,P1,A6BC27D8E2_aP44_1_6a_a_27a_8a_2a:Bi-Mg-O-Ru-Zn,44.0,A6BC27D8E2_aP44_1_6a_a_27a_8a_2a:Bi-Mg-O-Ru-Zn +mp-1215916,Zn2Bi6Ru8O27,-6.9446078588,-1.5186023350000002,0.0514060988,0.0514060988,GGA,C2,A6B27C8D2_mC86_5_3c_2a3b11c_4c_c:Bi-O-Ru-Zn,43.0,"Invalid WP multiplicities - A6B27C8D2_mC86_5_6c_2a3b17c_8c_c:Bi-O-Ru-Zn, expected Zn2Bi12Ru16O39 to be Zn2Bi6Ru8O27" +mp-1046001,Ba2AlTlCu2O7,-5.9330281731,-1.8736894673,0.2771601099,0.2771601099,GGA,P4/mmm,AB2C2D7E_tP13_123_b_g_h_ahi_c:Al-Ba-Cu-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_tP13_123_b_g_h_a2h2i_c:Al-Ba-Cu-O-Tl, expected Ba2AlTlCu2O13 to be Ba2AlTlCu2O7" +mp-1021296,LiLaMg6,-2.0301917731,0.0256345108,0.1167475623,0.1167475623,GGA,Amm2,ABC6_oC16_38_a_b_abde:La-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:La-Li-Mg, expected LiLaMg12 to be LiLaMg6" +mp-1021293,LiLaMg6,-2.0205762788,0.0352500052,0.1263630567,0.1263630567,GGA,Amm2,ABC6_oC16_38_a_a_2bde:La-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:La-Li-Mg, expected LiLaMg12 to be LiLaMg6" +mp-1078209,LiLa2FeO6,-7.7557971905,-2.7626881351,0.0,-0.0273358689,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Fe-La-Li-O,20.0,AB2CD6_hR30_148_a_c_b_f:Fe-La-Li-O +mp-1520090,LiLa(FeO3)4,-6.9670625283,-1.4067692313,0.3027838427,0.3027838427,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Fe-La-Li-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Fe-La-Li-O, expected LiLa(Fe2O9)2 to be LiLa(FeO3)4" +mp-554531,Li11La12Fe3O28,-7.5493653043,-3.0281137424,0.0252229056,0.0252229056,GGA+U,P4/mbm,A3B12C11D28_tP108_127_ag_ghl_bh2k_ef2i2j2k:Fe-La-Li-O,108.0,"Invalid WP multiplicities - A3B12C11D28_tP108_127_2a2g_2g4h7l_2b4h13k_4e4f15i15j12k:Fe-La-Li-O, expected Li31La34Fe3O92 to be Li11La12Fe3O28" +mp-771996,Li3Mg2Fe19O32,-7.6513609746,-1.7915079309,0.0674622447,0.0674622447,GGA+U,Cm,A19B3C2D32_mC112_8_11a4b_3a_2a_16a8b:Fe-Li-Mg-O,56.0,"Invalid WP multiplicities - A19B3C2D32_mC112_8_11a5b_3a_2a_16a12b:Fe-Li-Mg-O, expected Li3Mg2Fe21O40 to be Li3Mg2Fe19O32" +mp-756753,Li3La7(FeO8)2,-7.9351995714,-3.0649895666,0.0463486308,0.0463486308,GGA+U,Cm,A2B7C3D16_mC56_8_2a_3a2b_ab_4a6b:Fe-La-Li-O,28.0,"Invalid WP multiplicities - A2B7C3D16_mC56_8_2a_3a4b_a2b_4a12b:Fe-La-Li-O, expected Li5La11(FeO14)2 to be Li3La7(FeO8)2" +mp-1032467,LiMg6FeO8,-6.473377605,-2.7512442258,0.0256792223,0.0256792223,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Fe-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Fe-Li-Mg-O, expected LiMg6FeO12 to be LiMg6FeO8" +mp-1032500,LiMg6FeO8,-6.4646208456,-2.7424874665,0.0344359817,0.0344359817,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Fe-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Fe-Li-Mg-O, expected LiMg6FeO12 to be LiMg6FeO8" +mp-756904,LiLa4FeO8,-8.2338595436,-3.2555393874,0.06812892,0.06812892,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Fe-La-Li-O,28.0,AB4CD8_oC28_65_a_gh_c_ghn:Fe-La-Li-O +mp-1030989,LiLaMg6O8,-6.3737385663,-2.8724810686,0.2168178558,0.2168178558,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:La-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:La-Li-Mg-O, expected LiLaMg6O12 to be LiLaMg6O8" +mp-1030894,LiLaMg6O8,-6.4310657706,-2.929808273,0.1594906514,0.1594906514,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:La-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:La-Li-Mg-O, expected LiLaMg6O12 to be LiLaMg6O8" +mp-1040140,LiLaMg30O32,-6.3481665467,-3.0177388868,0.0451160688,0.0451160688,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:La-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:La-Li-Mg-O, expected LiLaMg110O72 to be LiLaMg30O32" +mp-1040126,LiLaMg30O32,-6.3465836895,-3.0161560297,0.046698926,0.046698926,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:La-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:La-Li-Mg-O, expected LiLaMg90O80 to be LiLaMg30O32" +mp-1035545,LiLaMg14O16,-6.3558200087,-2.9684490696,0.1032205423,0.1032205423,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:La-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:La-Li-Mg-O, expected LiLaMg18O20 to be LiLaMg14O16" +mp-1035532,LiLaMg14O16,-6.3578841253,-2.9705131862,0.1011564257,0.1011564257,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:La-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:La-Li-Mg-O, expected LiLaMg30O32 to be LiLaMg14O16" +mp-1022353,LiMg6Fe,-2.3536097556,0.1439682915,0.1788549392,0.1788549392,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Fe-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Fe-Li-Mg, expected LiMg12Fe to be LiMg6Fe" +mp-1099277,LiMg6Fe,-2.357257515,0.1403205321,0.1752071798,0.1752071798,GGA,Amm2,ABC6_oC16_38_a_b_abde:Fe-Li-Mg,8.0,ABC6_oC16_38_a_b_abde:Fe-Li-Mg +mp-773699,LiMg(Fe5O8)2,-7.6993477125,-1.7223321983000002,0.1041761903,0.1041761903,GGA+U,R3m,A10BCD16_hR84_160_4a2b_a_a_4a4b:Fe-Li-Mg-O,28.0,"Invalid WP multiplicities - A10BCD16_hR84_160_4a3b_a_a_4a7b:Fe-Li-Mg-O, expected LiMgFe13O25 to be LiMg(Fe5O8)2" +mp-1035435,LiMg14FeO16,-6.4035561712,-2.9057472914,0.0097345824,0.0097345824,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Fe-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Fe-Li-Mg-O, expected LiMg18FeO20 to be LiMg14FeO16" +mp-1035445,LiMg14FeO16,-6.3962885212,-2.8984796414,0.0170022324,0.0170022324,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Fe-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Fe-Li-Mg-O, expected LiMg30FeO32 to be LiMg14FeO16" +mp-1027926,LiMg14Fe,-1.9760438425,0.072885206,0.1037039541,0.1037039541,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Fe-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Fe-Li-Mg, expected LiMg18Fe to be LiMg14Fe" +mp-1027898,LiMg14Fe,-1.9388628444,0.1100662042,0.1408849522,0.1408849522,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Fe-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Fe-Li-Mg, expected LiMg26Fe to be LiMg14Fe" +mp-1026861,LiLaMg14,-1.8066796231,0.0213735439,0.0803054937,0.0803054937,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:La-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:La-Li-Mg, expected LiLaMg18 to be LiLaMg14" +mp-1026837,LiLaMg14,-1.8151353406,0.0129178264,0.0718497762,0.0718497762,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:La-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:La-Li-Mg, expected LiLaMg26 to be LiLaMg14" +mp-1037677,LiMg30FeO32,-6.3682519084,-2.9826052782,0.0021558084,0.0021558084,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Fe-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Fe-Li-Mg-O, expected LiMg90FeO80 to be LiMg30FeO32" +mp-1037593,LiMg30FeO32,-6.3635253958,-2.9778787655,0.0068823211,0.0068823211,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Fe-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Fe-Li-Mg-O, expected LiMg110FeO72 to be LiMg30FeO32" +mp-1045829,AlCu3(NiO3)4,-5.930246121,-1.0040457663,0.2394856992,0.2394856992,GGA+U,C2/m,AB3C4D12_mC40_12_a_bcd_ef_2i2j:Al-Cu-Ni-O,20.0,"Invalid WP multiplicities - AB3C4D12_mC40_12_a_bcd_2e2f_3i7j:Al-Cu-Ni-O, expected AlCu3(Ni4O17)2 to be AlCu3(NiO3)4" +mp-1048224,Ba2AlNi3O8,-6.3707641186,-1.76380373,0.3349480081,0.3349480081,GGA+U,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Ni-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Ni-O, expected Ba2AlNi5O16 to be Ba2AlNi3O8" +mp-1048397,BaAlNi4O7,-6.5704101131,-1.6925702309,0.2423440276,0.2423440276,GGA+U,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Ni-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Ni-O +mp-1042478,BaAlCuNiO5,-6.2944975722,-1.8192378304,0.4039073822,0.4039073822,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Ni-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Ni-O +mp-1048483,Ba2AlNi3O7,-6.4215503769,-1.8407229362,0.3586070818,0.3586070818,GGA+U,Pmmm,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Ni-O,13.0,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Ni-O +mp-1042464,BaAlFeCuO5,-6.7818148178,-2.0076790171,0.3579923571,0.3579923571,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Fe-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Fe-O +mp-1045728,AlFe4(CuO4)3,-6.785890039,-1.3217127782,0.2842251972,0.2842251972,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Fe-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Fe-O +mp-1179833,PtRh2(NCl)10,-4.0785084991,1.2541030187,1.7788036804,1.7788036804,GGA,C2/m,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Pt-Rh,23.0,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Pt-Rh +mp-1219807,PtBr3N2,-3.80933586,0.7578655,1.2383280013,1.2383280013,GGA,Imm2,A3B2C_oI12_44_ac_d_a:Br-N-Pt,6.0,A3B2C_oI12_44_ac_d_a:Br-N-Pt +mp-1192293,PtBr3N2,-3.6492091538,0.9179922063,1.3984547075,1.3984547075,GGA,Pmmn,A3B2C_oP24_59_2a2e_2f_2a:Br-N-Pt,24.0,A3B2C_oP24_59_2a2e_2f_2a:Br-N-Pt +mp-1192022,PtBr3N2,-3.6694373404,0.8977640196000001,1.3782265208,1.3782265208,GGA,Fddd,A3B2C_oF96_70_2ef_2g_ab:Br-N-Pt,24.0,A3B2C_oF96_70_2ef_2g_ab:Br-N-Pt +mp-1219906,Pt(Br3N2)2,-3.2368420273,1.1936382455,1.4557087007,1.4557087007,GGA,F222,A6B4C_oF44_22_efi_gh_a:Br-N-Pt,11.0,"Invalid WP multiplicities - A6B4C_oF44_22_efi_2g2h_a:Br-N-Pt, expected Pt(Br3N4)2 to be Pt(Br3N2)2" +mp-1211787,PtRhBr4N5Cl,-4.3168767265,0.9480037565,1.4301721056,1.4301721056,GGA,Pnma,A4BC5DE_oP48_62_2cd_c_c2d_c_c:Br-Cl-N-Pt-Rh,48.0,A4BC5DE_oP48_62_2cd_c_c2d_c_c:Br-Cl-N-Pt-Rh +mp-1200294,PtRhBr6N5Cl,-3.8474279014,0.8871879882,1.3896061475,1.3896061475,GGA,P2_1/m,A6BC5DE_mP56_11_6e3f_2e_4e3f_2e_2e:Br-Cl-N-Pt-Rh,56.0,A6BC5DE_mP56_11_6e3f_2e_4e3f_2e_2e:Br-Cl-N-Pt-Rh +mp-758639,Li4Fe(SiO3)3,-7.245770195,-2.7221310675,0.0814449949,0.0814449949,GGA+U,C2,AB4C9D3_mC68_5_c_2a2b2c_ab8c_3c:Fe-Li-O-Si,34.0,"Invalid WP multiplicities - AB4C9D3_mC68_5_c_2a2b4c_ab16c_5c:Fe-Li-O-Si, expected Li6FeSi5O17 to be Li4Fe(SiO3)3" +mp-752650,Li4Fe(SiO4)2,-6.934269877,-2.4989459819,0.0930875481,0.0930875481,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-Si,60.0,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-Si +mp-1091362,Li(NdSi)2,-5.026324037,-0.5671532787,0.0142402143,0.0142402143,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Li-Nd-Si,10.0,AB2C2_tP10_127_a_h_g:Li-Nd-Si +mp-766530,Li2Fe2Si3O10,-7.7114618656,-2.6231836682000003,0.0528717629,0.0528717629,GGA+U,P1,A2B2C10D3_aP34_1_4a_4a_20a_6a:Fe-Li-O-Si,34.0,A2B2C10D3_aP34_1_4a_4a_20a_6a:Fe-Li-O-Si +mp-860893,Li2Fe2Si3O10,-7.6646227353,-2.5763445379,0.0997108932,0.0997108932,GGA+U,Fdd2,A2B2C10D3_oF136_43_b_b_5b_ab:Fe-Li-O-Si,34.0,"Invalid WP multiplicities - A2B2C10D3_oF136_43_b_b_17b_2a2b:Fe-Li-O-Si, expected LiFeSi3O17 to be Li2Fe2Si3O10" +mp-758795,Li2Fe2(SiO3)3,-7.729567847,-2.6324403067,0.072225953,0.072225953,GGA+U,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_3e_3e_35e_11e:Fe-Li-O-Si, expected Li3Fe3Si11O35 to be Li2Fe2(SiO3)3" +mp-1268159,Li2Fe2(SiO3)3,-7.7418959523,-2.6447684121,0.0598978477,0.0598978477,GGA+U,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_3e_3e_35e_11e:Fe-Li-O-Si, expected Li3Fe3Si11O35 to be Li2Fe2(SiO3)3" +mp-758516,Li2Fe2(SiO3)3,-7.724385790899999,-2.6272582507,0.0774080091,0.0774080091,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Fe-Li-O-Si, expected Li2Fe2(Si3O11)3 to be Li2Fe2(SiO3)3" +mp-758830,Li2Fe2(SiO3)3,-7.1599630575,-2.0628355172,0.6418307425,0.6418307425,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Fe-Li-O-Si, expected Li2Fe2(Si3O11)3 to be Li2Fe2(SiO3)3" +mp-861716,Li2Fe2(SiO3)3,-7.7412736904,-2.6441461501,0.0605201096,0.0605201096,GGA+U,P3_2,A2B2C9D3_hP96_145_4a_4a_18a_6a:Fe-Li-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_hP96_145_8a_10a_53a_16a:Fe-Li-O-Si, expected Li10Fe8Si16O53 to be Li2Fe2(SiO3)3" +mp-1261131,Li2Fe2(SiO3)3,-7.7494520703,-2.65232453,0.0523417297,0.0523417297,GGA+U,P3_2,A2B2C9D3_hP96_145_4a_4a_18a_6a:Fe-Li-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_hP96_145_8a_10a_53a_16a:Fe-Li-O-Si, expected Li10Fe8Si16O53 to be Li2Fe2(SiO3)3" +mp-759270,Li5Fe(SiO4)2,-6.8315711373,-2.5541473065,0.0948942169,0.0948942169,GGA+U,Pnma,AB5C8D2_oP128_62_d_2c4d_4c6d_2cd:Fe-Li-O-Si,128.0,"Invalid WP multiplicities - AB5C8D2_oP128_62_d_8c13d_15c22d_7c2d:Fe-Li-O-Si, expected Li34Fe2Si11O59 to be Li5Fe(SiO4)2" +mp-753109,Li4Fe2SiO7,-6.8913067464,-2.275030111,0.0725248571,0.0725248571,GGA+U,P-1,A2B4C7D_aP14_2_i_2i_b3i_e:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - A2B4C7D_aP14_2_i_3i_b5i_e:Fe-Li-O-Si, expected Li6Fe2SiO11 to be Li4Fe2SiO7" +mp-752799,Li2FeSiO4,-7.2201005312,-2.532608054,0.0312945266,0.0068708016,GGA+U,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Fe-Li-O-Si,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Fe-Li-O-Si +mp-759942,Li2FeSiO4,-7.2440837422,-2.5565912649,0.0073113156,-0.0171124094,GGA+U,P2_1,AB2C4D_mP32_4_2a_4a_8a_2a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_6e_13e_e:Fe-Li-O-Si, expected Li6FeSiO13 to be Li2FeSiO4" +mp-764344,Li2FeSiO4,-7.2297913391,-2.5422988618,0.0216037188,-0.0028200063,GGA+U,P2_1,AB2C4D_mP16_4_a_2a_4a_a:Fe-Li-O-Si,32.0,AB2C4D_mP16_4_a_2a_4a_a:Fe-Li-O-Si +mp-1177998,Li2FeSiO4,-7.2292143775,-2.5417219002,0.0221806803,-0.0022430447,GGA+U,P2_1,AB2C4D_mP32_4_2a_4a_8a_2a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_4_2a_6a_13a_2a:Fe-Li-O-Si, expected Li6Fe2Si2O13 to be Li2FeSiO4" +mp-752913,Li2FeSiO4,-7.2472054919,-2.5597130146,0.0041895659,-0.0202341591,GGA+U,Pc,AB2C4D_mP16_7_a_2a_4a_a:Fe-Li-O-Si,32.0,AB2C4D_mP16_7_a_2a_4a_a:Fe-Li-O-Si +mp-757426,Li2FeSiO4,-7.1788721662,-2.491379689,0.0725228916,0.0480991666,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_13e_e:Fe-Li-O-Si, expected Li3FeSiO13 to be Li2FeSiO4" +mp-758465,Li2FeSiO4,-7.2286703431,-2.5411778658,0.0227247147,-0.0016990103,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_7e_e:Fe-Li-O-Si, expected Li3FeSiO7 to be Li2FeSiO4" +mp-559518,Li2FeSiO4,-7.2503850944,-2.5628926171,0.0010099634,-0.0234137616,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Fe-Li-O-Si,32.0,AB2C4D_mP32_14_e_2e_4e_e:Fe-Li-O-Si +mp-1265539,Li2FeSiO4,-7.2292168028,-2.5417243255,0.022178255,-0.00224547,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_13e_e:Fe-Li-O-Si, expected Li3FeSiO13 to be Li2FeSiO4" +mp-752900,Li2FeSiO4,-7.2405116575,-2.5530191802,0.0108834003,-0.0135403247,GGA+U,C222_1,AB2C4D_oC32_20_a_ab_2c_b:Fe-Li-O-Si,32.0,AB2C4D_oC32_20_a_ab_2c_b:Fe-Li-O-Si +mp-758421,Li2FeSiO4,-7.196705845,-2.5092133677,0.0546892128,0.0302654878,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_5a_13a_29a_5a:Fe-Li-O-Si, expected Li13Fe5Si5O29 to be Li2FeSiO4" +mp-18968,Li2FeSiO4,-7.2513950578,-2.5639025805,0.0,-0.024423725,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Fe-Li-O-Si,32.0,AB2C4D_oP16_31_a_b_2ab_a:Fe-Li-O-Si +mp-757833,Li2FeSiO4,-7.2377874644,-2.5502949871,0.0136075934,-0.0108161316,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Fe-Li-O-Si, expected Li5FeSiO13 to be Li2FeSiO4" +mp-758823,Li2FeSiO4,-7.2428710728,-2.5553785955,0.008523985,-0.01589974,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Fe-Li-O-Si, expected Li5FeSiO13 to be Li2FeSiO4" +mp-764340,Li2FeSiO4,-7.2318786144,-2.5443861371,0.0195164434,-0.0049072816,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Fe-Li-O-Si, expected Li5FeSiO13 to be Li2FeSiO4" +mp-764346,Li2FeSiO4,-7.2459316119,-2.5584391346,0.0054634459,-0.0189602791,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_15a_a:Fe-Li-O-Si, expected Li5FeSiO15 to be Li2FeSiO4" +mp-758209,Li2FeSiO4,-7.2461992288,-2.5587067515,0.0051958291,-0.0192278959,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Fe-Li-O-Si,32.0,AB2C4D_oP32_62_c_d_2cd_c:Fe-Li-O-Si +mp-759575,Li2FeSiO4,-7.2512293378,-2.5637368605,0.00016572,-0.024258005,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_6c3d_c:Fe-Li-O-Si, expected Li2FeSiO12 to be Li2FeSiO4" +mp-752853,Li2FeSiO4,-7.2364683772,-2.5489758999000003,0.0149266806,-0.0094970444,GGA+U,I-42m,AB2C4D_tI16_121_a_d_i_b:Fe-Li-O-Si,32.0,AB2C4D_tI16_121_a_d_i_b:Fe-Li-O-Si +mp-753118,Li2FeSiO4,-7.203141706,-2.5156492288,0.0482533518,0.0238296268,GGA+U,P3_121,AB2C4D_hP24_152_a_c_2c_b:Fe-Li-O-Si,48.0,AB2C4D_hP24_152_a_c_2c_b:Fe-Li-O-Si +mp-863392,LiFe(Si3O7)2,-8.0427291455,-2.9434339539,0.095879881,0.095879881,GGA+U,Ibam,ABC14D6_oI176_72_f_ad_2j6k_2j2k:Fe-Li-O-Si,88.0,"Invalid WP multiplicities - ABC14D6_oI176_72_f_ad_7j20k_6j3k:Fe-Li-O-Si, expected LiFeSi12O47 to be LiFe(Si3O7)2" +mp-757427,Li3Fe(Si2O5)3,-7.7743135615,-2.9363524152,0.0398989548,0.0398989548,GGA+U,Pnma,AB3C15D6_oP100_62_c_cd_5c5d_2c2d:Fe-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_oP100_62_c_2c2d_19c20d_8c7d:Fe-Li-O-Si, expected Li6FeSi22O59 to be Li3Fe(Si2O5)3" +mp-765285,Li3Fe(Si2O5)3,-7.7786142043,-2.940653058,0.035598312,0.035598312,GGA+U,Cmce,AB3C15D6_oC200_64_e_def_3f6g_3g:Fe-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_oC200_64_e_4d2ef_8f20g_5g:Fe-Li-O-Si, expected Li7Fe(Si5O24)2 to be Li3Fe(Si2O5)3" +mp-777799,Li3Fe(Si2O5)3,-7.7650800698,-2.9271189235,0.0491324465,0.0491324465,GGA+U,P6/mcc,AB3C15D6_hP100_192_c_adf_l2m_m:Fe-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_hP100_192_c_a3d3f_3l8m_m:Fe-Li-O-Si, expected Li8Fe(Si2O19)3 to be Li3Fe(Si2O5)3" +mp-753111,Li7Fe3(SiO6)2,-6.8768531438,-2.3358771316,0.0786748489,0.0786748489,GGA+U,C2/m,A3B7C12D2_mC48_12_ag_dij_2i2j_h:Fe-Li-O-Si,24.0,"Invalid WP multiplicities - A3B7C12D2_mC48_12_ag_c2i3j_4i8j_h:Fe-Li-O-Si, expected Li17Fe3(SiO20)2 to be Li7Fe3(SiO6)2" +mp-767753,Li2Fe2Si8O19,-7.9877960726,-2.8862632369,0.0909993919,0.0909993919,GGA+U,P1,A2B2C19D8_aP31_1_2a_2a_19a_8a:Fe-Li-O-Si,31.0,"Invalid WP multiplicities - A2B2C19D8_mC62_5_c_c_a17c_7c:Fe-Li-O-Si, expected Li2Fe2(Si2O5)7 to be Li2Fe2Si8O19" +mp-758493,Li2Fe2Si8O19,-8.013197481,-2.9116646453,0.0655979835,0.0655979835,GGA+U,P1,A2B2C19D8_aP31_1_2a_2a_19a_8a:Fe-Li-O-Si,31.0,"Invalid WP multiplicities - A2B2C19D8_mC62_5_c_c_a17c_7c:Fe-Li-O-Si, expected Li2Fe2(Si2O5)7 to be Li2Fe2Si8O19" +mp-765416,Li2Fe2Si8O19,-8.0157656181,-2.9142327824,0.0630298465,0.0630298465,GGA+U,C2,A2B2C19D8_mC62_5_c_c_a9c_4c:Fe-Li-O-Si,31.0,"Invalid WP multiplicities - A2B2C19D8_mC62_5_c_c_a17c_7c:Fe-Li-O-Si, expected Li2Fe2(Si2O5)7 to be Li2Fe2Si8O19" +mp-752472,Li3FeSiO5,-6.84907877,-2.4135236304,0.0948241672,0.0948241672,GGA+U,P-1,AB3C5D_aP20_2_i_3i_5i_i:Fe-Li-O-Si,20.0,"Invalid WP multiplicities - AB3C5D_aP20_2_i_5i_9i_i:Fe-Li-O-Si, expected Li5FeSiO9 to be Li3FeSiO5" +mp-772106,Li3FeSiO5,-6.8607635025,-2.4252083629,0.0831394348,0.0831394348,GGA+U,P-1,AB3C5D_aP20_2_i_ac2i_5i_i:Fe-Li-O-Si,20.0,"Invalid WP multiplicities - AB3C5D_aP20_2_i_ac3i_9i_i:Fe-Li-O-Si, expected Li4FeSiO9 to be Li3FeSiO5" +mp-764341,Li3FeSiO5,-6.934381748,-2.4988266084,0.0095211893,0.0095211893,GGA+U,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Fe-Li-O-Si,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_7a_12a_a:Fe-Li-O-Si, expected Li7FeSiO12 to be Li3FeSiO5" +mp-757596,LiFeSi3O8,-7.9286644338,-2.8341715218,0.0467989063,0.0467989063,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-781030,LiFeSi3O8,-2.7242129358,2.3702799763,5.2512504044,5.2512504044,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-757037,LiFeSi3O8,-7.9415819481,-2.847089036,0.0338813921,0.0338813921,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-757183,LiFeSi3O8,-7.9023068969,-2.8078139849,0.0731564433,0.0731564433,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-1371287,LiFeSi3O8,-3.8871200412,1.2073728709,4.088343299,4.088343299,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-1368706,LiFeSi3O8,-2.9147497231,2.179743189,5.0607136171,5.0607136171,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Fe-Li-O-Si, expected LiFe(SiO3)5 to be LiFeSi3O8" +mp-758141,LiFeSi3O8,-7.9106158215,-2.8161229095,0.0648475187,0.0648475187,GGA+U,C2,ABC8D3_mC52_5_c_c_2a7c_3c:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_mC52_5_c_c_2a13c_5c:Fe-Li-O-Si, expected LiFeSi5O14 to be LiFeSi3O8" +mp-765631,LiFeSi3O8,-7.9295793394,-2.8350864274000003,0.0458840008,0.0458840008,GGA+U,P2_1/c,ABC8D3_mP52_14_e_e_8e_3e:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_mP52_14_e_e_26e_11e:Fe-Li-O-Si, expected LiFeSi11O26 to be LiFeSi3O8" +mp-758763,LiFeSi3O8,-7.9211777173,-2.8266848053,0.0542856229,0.0542856229,GGA+U,C2/c,ABC8D3_mC104_15_f_f_8f_3f:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_mC104_15_f_f_30f_9f:Fe-Li-O-Si, expected LiFe(Si3O10)3 to be LiFeSi3O8" +mp-1263751,LiFeSi3O8,-7.9360534494,-2.8415605374,0.0394098908,0.0394098908,GGA+U,C2/c,ABC8D3_mC104_15_f_f_8f_3f:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_mC104_15_f_f_30f_9f:Fe-Li-O-Si, expected LiFe(Si3O10)3 to be LiFeSi3O8" +mp-757618,LiFeSi3O8,-7.9009600477,-2.8064671356,0.0745032925,0.0745032925,GGA+U,P2_12_12_1,ABC8D3_oP52_19_a_a_8a_3a:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_oP52_19_a_a_29a_9a:Fe-Li-O-Si, expected LiFeSi9O29 to be LiFeSi3O8" +mp-863356,Li5Fe5Si7O24,-7.6610822956,-2.573460938,0.0809368105,0.0809368105,GGA+U,P1,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si,41.0,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si +mp-767276,Li5Fe5Si7O24,-7.650195012,-2.5625736543,0.0918240942,0.0918240942,GGA+U,P1,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si,41.0,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si +mp-767328,Li5Fe5Si7O24,-7.6614814761,-2.5738601185,0.0805376301,0.0805376301,GGA+U,P1,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si,41.0,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si +mp-860959,Li5Fe5Si7O24,-7.6613942829,-2.5737729253,0.0806248232,0.0806248232,GGA+U,P1,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si,41.0,A5B5C24D7_aP41_1_5a_5a_24a_7a:Fe-Li-O-Si +mp-1295198,Li2Fe2Si2O7,-7.5792538565,-2.4842273033,0.0904314573,0.0904314573,GGA+U,P-1,A2B2C7D2_aP13_2_i_i_a3i_i:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_aP13_2_i_i_a5i_i:Fe-Li-O-Si, expected Li2Fe2Si2O11 to be Li2Fe2Si2O7" +mp-759016,Li2Fe2Si2O7,-7.6191158571,-2.5240893039,0.0505694567,0.0505694567,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Fe-Li-O-Si, expected LiFeSiO5 to be Li2Fe2Si2O7" +mp-758631,Li2Fe2Si2O7,-7.5831954758,-2.4881689225,0.0864898381,0.0864898381,GGA+U,Ama2,A2B2C7D2_oC52_40_c_ab_b3c_c:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_oC52_40_c_ab_2b6c_c:Fe-Li-O-Si, expected LiFeSiO7 to be Li2Fe2Si2O7" +mp-757107,Li2Fe2Si2O7,-7.6249758669,-2.5299493137,0.0447094469,0.0447094469,GGA+U,Ama2,A2B2C7D2_oC52_40_ab_c_b3c_c:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_oC52_40_2a2b_c_b3c_c:Fe-Li-O-Si, expected Li2Fe4Si2O7 to be Li2Fe2Si2O7" +mp-752892,Li2Fe2Si2O7,-7.5789471296,-2.4839205764,0.0907381842,0.0907381842,GGA+U,P-3,A2B2C7D2_hP13_147_d_d_ag_c:Fe-Li-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_aP13_2_i_i_a5i_i:Fe-Li-O-Si, expected Li2Fe2Si2O11 to be Li2Fe2Si2O7" +mp-861290,Li2FeSi3O8,-2.1964260979,2.6705260967,5.5361984666,5.5361984666,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Fe-Li-O-Si,28.0,AB2C8D3_aP28_1_2a_4a_16a_6a:Fe-Li-O-Si +mp-867661,Li2FeSi3O8,-7.6568040355,-2.789851841,0.0758205289,0.0758205289,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - AB2C8D3_aP28_1_4a_4a_16a_6a:Fe-Li-O-Si, expected Li2Fe2Si3O8 to be Li2FeSi3O8" +mp-772029,Li2FeSi3O8,-7.6604163218,-2.7934641273,0.0722082427,0.0722082427,GGA+U,P1,AB2C8D3_aP14_1_a_2a_8a_3a:Fe-Li-O-Si,28.0,AB2C8D3_aP14_1_a_2a_8a_3a:Fe-Li-O-Si +mp-1347683,Li2FeSi3O8,-5.2426815471,-0.3757293526,2.4899430173,2.4899430173,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Fe-Li-O-Si,28.0,AB2C8D3_aP28_1_2a_4a_16a_6a:Fe-Li-O-Si +mp-753540,Li2FeSi3O8,-7.6748941804,-2.8079419858,0.0577303841,0.0577303841,GGA+U,P2_1,AB2C8D3_mP28_4_a_2a_8a_3a:Fe-Li-O-Si,56.0,AB2C8D3_mP28_4_a_2a_8a_3a:Fe-Li-O-Si +mp-767149,Li2FeSi3O8,-7.6577010239,-2.7907488294,0.0749235405,0.0749235405,GGA+U,P2_1,AB2C8D3_mP28_4_a_2a_8a_3a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - AB2C8D3_mP28_4_a_2a_16a_4a:Fe-Li-O-Si, expected Li2Fe(SiO4)4 to be Li2FeSi3O8" +mp-757311,Li2Fe3(Si3O8)2,-7.9780804959,-2.7585680173,0.0504022025,0.0504022025,GGA+U,P-1,A3B2C16D6_aP54_2_3i_2i_16i_6i:Fe-Li-O-Si,54.0,"Invalid WP multiplicities - A3B2C16D6_aP54_2_5i_3i_31i_11i:Fe-Li-O-Si, expected Li3Fe5Si11O31 to be Li2Fe3(Si3O8)2" +mp-1177108,Li5Fe4(Si3O10)2,-7.6258329426,-2.6283934689,0.0473974531,0.0473974531,GGA+U,P1,A4B5C20D6_aP35_1_4a_5a_20a_6a:Fe-Li-O-Si,35.0,A4B5C20D6_aP35_1_4a_5a_20a_6a:Fe-Li-O-Si +mp-759121,LiFeSiO4,-7.5549477521,-2.470516759,0.0786865311,0.0786865311,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Fe-Li-O-Si, expected LiFeSiO5 to be LiFeSiO4" +mp-757540,LiFeSiO4,-7.5571155069,-2.4726845138,0.0765187763,0.0765187763,GGA+U,P2,ABC4D_mP84_3_6e_2a3b2c5d_24e_6e:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_3_12e_2a3b2c5d_47e_11e:Fe-Li-O-Si, expected Li6Fe12Si11O47 to be LiFeSiO4" +mp-752718,LiFeSiO4,-7.5343576781,-2.449926685,0.0992766051,0.0992766051,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b16c_a4b:Fe-Li-O-Si, expected Li3Fe3Si5O53 to be LiFeSiO4" +mp-758434,LiFeSiO4,-7.557334155399999,-2.4729031623,0.0763001279,0.0763001279,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Fe-Li-O-Si, expected LiFeSiO5 to be LiFeSiO4" +mp-766458,LiFeSiO4,-7.5635198929,-2.4790888998,0.0701143904,0.0701143904,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_2a_2a_14a_2a:Fe-Li-O-Si, expected LiFeSiO7 to be LiFeSiO4" +mp-758506,LiFeSiO4,-7.6122839961,-2.527853003,0.0213502871,0.0213502871,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Fe-Li-O-Si +mp-758939,LiFeSiO4,-7.5916845421,-2.507253549,0.0419497411,0.0419497411,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Fe-Li-O-Si +mp-758968,LiFeSiO4,-7.5634440846,-2.4790130915,0.0701901986,0.0701901986,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Fe-Li-O-Si +mp-756984,LiFeSiO4,-7.5619686321,-2.477537639,0.0716656511,0.0716656511,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-805388,LiFeSiO4,-6.6589048686,-1.5744738755,0.9747294146,0.9747294146,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-754842,LiFeSiO4,-7.6005937029,-2.5161627098,0.0330405804,0.0330405804,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-764355,LiFeSiO4,-7.5686741407,-2.4842431476,0.0649601425,0.0649601425,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-1222541,LiFeSiO4,-7.60049688,-2.5160658869,0.0331374032,0.0331374032,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-Si,28.0,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-Si +mp-759738,LiFeSiO4,-7.5808884614,-2.4964574683,0.0527458218,0.0527458218,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-758892,LiFeSiO4,-6.9013837926,-1.8169527995,0.7322504906,0.7322504906,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Fe-Li-O-Si,112.0,ABC4D_mC224_9_16a_16a_64a_16a:Fe-Li-O-Si +mp-759401,LiFeSiO4,-7.6099705356,-2.5255395425,0.0236637476,0.0236637476,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Fe-Li-O-Si,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_15a_64a_14a:Fe-Li-O-Si, expected Li15Fe16(Si7O32)2 to be LiFeSiO4" +mp-759315,LiFeSiO4,-7.300543701,-2.2161127079,0.3330905822,0.3330905822,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Fe-Li-O-Si,112.0,ABC4D_mC224_9_16a_16a_64a_16a:Fe-Li-O-Si +mp-752893,LiFeSiO4,-7.5715182107,-2.4870872176,0.0621160725,0.0621160725,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Fe-Li-O-Si, expected LiFeSiO8 to be LiFeSiO4" +mp-757117,LiFeSiO4,-7.5643746736,-2.4799436805,0.0692596096,0.0692596096,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758519,LiFeSiO4,-7.5298929032,-2.4454619101,0.10374138,0.10374138,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758940,LiFeSiO4,-7.5544367446,-2.4700057515,0.0791975386,0.0791975386,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Fe-Li-O-Si, expected Li3Fe3Si3O31 to be LiFeSiO4" +mp-764348,LiFeSiO4,-7.603172973599999,-2.5187419805,0.0304613096,0.0304613096,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758436,LiFeSiO4,-7.5738810032,-2.4894500101,0.05975328,0.05975328,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Fe-Li-O-Si, expected LiFeSiO5 to be LiFeSiO4" +mp-758862,LiFeSiO4,-7.5729057494,-2.4884747563,0.0607285338,0.0607285338,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Fe-Li-O-Si, expected Li9Fe9Si9O47 to be LiFeSiO4" +mp-1192570,LiFeSiO4,-7.565395185,-2.4809641919,0.0682390982,0.0682390982,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-Si,28.0,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-Si +mp-758977,LiFeSiO4,-7.5459072271,-2.461476234,0.0877270561,0.0877270561,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-753362,LiFeSiO4,-7.6000459661,-2.515614973,0.0335883171,0.0335883171,GGA+U,C222_1,ABC4D_oC28_20_a_a_2c_b:Fe-Li-O-Si,28.0,ABC4D_oC28_20_a_a_2c_b:Fe-Li-O-Si +mp-758572,LiFeSiO4,-7.5677596014,-2.4833286083,0.0658746818,0.0658746818,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Fe-Li-O-Si, expected Li5Fe5Si5O29 to be LiFeSiO4" +mp-759087,LiFeSiO4,-7.6010286345,-2.5165976414,0.0326056488,0.0326056488,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Fe-Li-O-Si, expected Li5Fe5Si5O29 to be LiFeSiO4" +mp-758507,LiFeSiO4,-7.6008723429,-2.5164413498,0.0327619404,0.0327619404,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Fe-Li-O-Si, expected Li5Fe5Si5O29 to be LiFeSiO4" +mp-757544,LiFeSiO4,-7.5555474721,-2.471116479,0.0780868111,0.0780868111,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758499,LiFeSiO4,-7.6058790521,-2.521448059,0.0277552311,0.0277552311,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758991,LiFeSiO4,-7.529222307299999,-2.4447913142,0.1044119759,0.1044119759,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Fe-Li-O-Si,56.0,ABC4D_oP56_33_4a_4a_16a_4a:Fe-Li-O-Si +mp-758602,LiFeSiO4,-7.5454522432,-2.4610212501,0.08818204,0.08818204,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-758614,LiFeSiO4,-7.5689077882,-2.4844767951,0.064726495,0.064726495,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_7a_a:Fe-Li-O-Si, expected LiFeSiO7 to be LiFeSiO4" +mp-759053,LiFeSiO4,-7.5649529718,-2.4805219787,0.0686813114,0.0686813114,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_11a_a:Fe-Li-O-Si, expected LiFeSiO11 to be LiFeSiO4" +mp-766664,LiFeSiO4,-7.588192403,-2.5037614099,0.0454418802,0.0454418802,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_60_2a2d_2c3d_25d_2c3d:Fe-Li-O-Si, expected Li4Fe3Si4O25 to be LiFeSiO4" +mp-758574,LiFeSiO4,-7.5986534189,-2.5142224258,0.0349808643,0.0349808643,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-766529,LiFeSiO4,-7.5713658671,-2.486934874,0.0622684161,0.0622684161,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_12a_a:Fe-Li-O-Si, expected LiFeSiO12 to be LiFeSiO4" +mp-766542,LiFeSiO4,-7.5817369004,-2.4973059073,0.0518973829,0.0518973829,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-861039,LiFeSiO4,-7.5532414904,-2.4688104973,0.0803927929,0.0803927929,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-849257,LiFeSiO4,-7.5660716957,-2.4816407026,0.0675625875,0.0675625875,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_12a_a:Fe-Li-O-Si, expected LiFeSiO12 to be LiFeSiO4" +mp-765353,LiFeSiO4,-7.5828467781,-2.498415785,0.0507875051,0.0507875051,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Fe-Li-O-Si,,"Invalid WP multiplicities - ABC4D_oP84_33_8a_9a_46a_9a:Fe-Li-O-Si, expected Li9Fe8Si9O46 to be LiFeSiO4" +mp-1176688,LiFeSiO4,-7.5838148835,-2.4993838904,0.0498193998,0.0498193998,GGA+U,Pbcn,ABC4D_oP84_60_ad_cd_6d_cd:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mC28_8_6a_6a_13a6b_6a:Fe-Li-O-Si, expected Li6Fe6Si6O25 to be LiFeSiO4" +mp-759064,LiFeSiO4,-7.540769135,-2.4563381419,0.0928651482,0.0928651482,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Fe-Li-O-Si, expected LiFeSiO13 to be LiFeSiO4" +mp-863368,LiFeSiO4,-7.6123784511,-2.527947458,0.0212558321,0.0212558321,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c2d_c:Fe-Li-O-Si, expected LiFeSiO11 to be LiFeSiO4" +mp-861542,LiFeSiO4,-7.5834085396,-2.4989775465,0.0502257436,0.0502257436,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Fe-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_7c2d_c:Fe-Li-O-Si, expected LiFeSiO11 to be LiFeSiO4" +mp-762643,LiFeSiO4,-7.5913537821,-2.506922789,0.0422805011,0.0422805011,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-Si,14.0,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-Si +mp-756430,LiFeSiO4,-7.5497646079,-2.4653336148,0.0838696754,0.0838696754,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-Si,28.0,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-Si +mp-752925,LiFeSiO4,-7.55473,-2.4702990069,0.0789042832,0.0789042832,GGA+U,I-4,ABC4D_tI14_82_c_a_g_b:Fe-Li-O-Si,14.0,ABC4D_tI14_82_c_a_g_b:Fe-Li-O-Si +mp-758596,LiFeSiO4,-7.5653894261,-2.480958433,0.0682448571,0.0682448571,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Fe-Li-O-Si,28.0,ABC4D_tP28_95_a_b_2d_c:Fe-Li-O-Si +mp-758562,LiFeSiO4,-7.6219253057,-2.5374943126,0.0117089775,0.0117089775,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_4b_5b_23b_5b:Fe-Li-O-Si, expected Li5Fe4Si5O23 to be LiFeSiO4" +mp-762632,LiFeSiO4,-7.551133155,-2.4667021619,0.0825011282,0.0825011282,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_hR42_148_c_c_c2f_c:Fe-Li-O-Si, expected LiFeSiO7 to be LiFeSiO4" +mp-759020,LiFeSiO4,-7.5684681507,-2.4840371576,0.0651661325,0.0651661325,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Fe-Li-O-Si, expected LiFeSiO17 to be LiFeSiO4" +mp-863415,LiFeSiO4,-7.5785079845,-2.4940769914,0.0551262987,0.0551262987,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Fe-Li-O-Si, expected LiFeSiO17 to be LiFeSiO4" +mp-859102,LiFeSiO4,-7.5427617695,-2.4583307764,0.0908725137,0.0908725137,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Fe-Li-O-Si, expected LiFeSiO17 to be LiFeSiO4" +mp-767248,LiFeSiO4,-7.573694513299999,-2.4892635202,0.0599397699,0.0599397699,GGA+U,R3c,ABC4D_hR126_161_b_b_4b_b:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_161_b_b_23b_b:Fe-Li-O-Si, expected LiFeSiO23 to be LiFeSiO4" +mp-849804,LiFeSiO4,-7.560549182,-2.4761181889,0.0730851012,0.0730851012,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Fe-Li-O-Si,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Fe-Li-O-Si, expected LiFeSiO5 to be LiFeSiO4" +mp-758257,LiFeSiO4,-7.5674617871,-2.4830307940000003,0.0661724961,0.0661724961,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_19c_c:Fe-Li-O-Si, expected Li5Fe3(SiO19)3 to be LiFeSiO4" +mp-758603,LiFeSiO4,-7.568845606,-2.4844146129,0.0647886773,0.0647886773,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_21c_c:Fe-Li-O-Si, expected Li5Fe3(SiO21)3 to be LiFeSiO4" +mp-758695,LiFeSiO4,-7.5606975757,-2.4762665826,0.0729367075,0.0729367075,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_19c_c:Fe-Li-O-Si, expected Li5Fe3(SiO19)3 to be LiFeSiO4" +mp-763740,LiFeSiO4,-7.5862281829,-2.5017971898,0.0474061004,0.0474061004,GGA+U,P6_3,ABC4D_hP14_173_b_a_bc_b:Fe-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_hP14_173_b_a_2b3c_b:Fe-Li-O-Si, expected LiFeSiO11 to be LiFeSiO4" +mp-1260096,LiFeSiO4,-7.5714068352,-2.4869758421,0.062227448,0.062227448,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Fe-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_19c_c:Fe-Li-O-Si, expected Li5Fe3(SiO19)3 to be LiFeSiO4" +mp-762623,LiFeSiO4,-7.5708729626,-2.4864419695,0.0627613206,0.0627613206,GGA+U,P6_422,ABC4D_hP21_181_c_a_k_d:Fe-Li-O-Si,42.0,ABC4D_hP21_181_c_a_k_d:Fe-Li-O-Si +mp-762644,LiFeSiO4,-7.5953243169,-2.5108933238,0.0383099663,0.0383099663,GGA+U,P6_422,ABC4D_hP21_181_d_a_k_c:Fe-Li-O-Si,42.0,ABC4D_hP21_181_d_a_k_c:Fe-Li-O-Si +mp-759281,LiFeSiO4,-7.5813568895,-2.4969258964,0.0522773937,0.0522773937,GGA+U,P6_422,ABC4D_hP84_181_gi_bcf_4k_hj:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_6g5i_b3c4f_37k_3h2j:Fe-Li-O-Si, expected Li6Fe11Si5O74 to be LiFeSiO4" +mp-758825,LiFeSiO4,-7.5921996267,-2.5077686336,0.0414346565,0.0414346565,GGA+U,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Fe-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_3g2i_a3d4f_37k_6h5j:Fe-Li-O-Si, expected Li6Fe5Si11O74 to be LiFeSiO4" +mp-757447,LiFeSiO4,-7.5893894118,-2.5049584187,0.0442448714,0.0442448714,GGA+U,P2_13,ABC4D_cP28_198_a_a_ab_a:Fe-Li-O-Si,28.0,ABC4D_cP28_198_a_a_ab_a:Fe-Li-O-Si +mp-759501,Li4Fe2Si4O13,-7.4956339322,-2.6876357038,0.0444694474,0.0444694474,GGA+U,Pna2_1,A2B4C13D4_oP92_33_2a_4a_13a_4a:Fe-Li-O-Si,92.0,"Invalid WP multiplicities - A2B4C13D4_oP92_33_5a_13a_49a_13a:Fe-Li-O-Si, expected Li13Fe5Si13O49 to be Li4Fe2Si4O13" +mp-767668,Li9Fe5(SiO8)2,-6.9087975297,-2.2360454269,0.0612617821,0.0612617821,GGA+U,P2/m,A5B9C16D2_mP32_10_dij_cefk2l_mn3o_i:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - A5B9C16D2_mP32_10_a2i2j_bcf2k4l_2m2n12o_j:Fe-Li-O-Si, expected Li15Fe9(SiO28)2 to be Li9Fe5(SiO8)2" +mp-1211190,LiFe2SiO4,-7.5472094206,-2.0395796504,0.2495335286,0.2495335286,GGA+U,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Fe-Li-O-Si,16.0,A2BC4D_oP16_31_b_a_2ab_a:Fe-Li-O-Si +mp-759106,Li2Fe3(SiO4)2,-7.7020422233,-2.3919052158,0.0498155085,0.0498155085,GGA+U,P1,A3B2C8D2_aP45_1_9a_6a_24a_6a:Fe-Li-O-Si,45.0,A3B2C8D2_aP45_1_9a_6a_24a_6a:Fe-Li-O-Si +mp-753684,LiFe(SiO3)2,-7.8193100315,-2.7283387911,0.0365131387,0.0365131387,GGA+U,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Fe-Li-O-Si,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Fe-Li-O-Si +mp-772502,LiFe(SiO3)2,-7.813039426,-2.7220681856,0.0427837442,0.0427837442,GGA+U,P1,ABC6D2_aP80_1_8a_8a_48a_16a:Fe-Li-O-Si,80.0,ABC6D2_aP80_1_8a_8a_48a_16a:Fe-Li-O-Si +mp-859111,LiFe(SiO3)2,-7.81770352,-2.7267322796,0.0381196502,0.0381196502,GGA+U,P-1,ABC6D2_aP30_2_ai_di_9i_3i:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - ABC6D2_aP30_2_a2i_d2i_17i_5i:Fe-Li-O-Si, expected Li5Fe5(Si5O17)2 to be LiFe(SiO3)2" +mp-777840,LiFe(SiO3)2,-7.821385737,-2.7304144966,0.0344374332,0.0344374332,GGA+U,Cc,ABC6D2_mC40_9_a_a_6a_2a:Fe-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_9_a_a_11a_3a:Fe-Li-O-Si, expected LiFeSi3O11 to be LiFe(SiO3)2" +mp-19061,LiFe(SiO3)2,-7.8476472492,-2.7566760088,0.008175921,0.008175921,GGA+U,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Fe-Li-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_11e_3e:Fe-Li-O-Si, expected LiFeSi3O11 to be LiFe(SiO3)2" +mp-510708,LiFe(SiO3)2,-7.8474552415,-2.7564840011,0.0083679287,0.0083679287,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Fe-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_6f_f:Fe-Li-O-Si, expected LiFe(SiO6)2 to be LiFe(SiO3)2" +mp-863416,LiFe(SiO3)2,-7.7847415958,-2.6937703553,0.0710815745,0.0710815745,GGA+U,C222_1,ABC6D2_oC80_20_c_ab_6c_abc:Fe-Li-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_oC80_20_c_2ab_19c_a2b2c:Fe-Li-O-Si, expected Li3Fe2Si7O38 to be LiFe(SiO3)2" +mp-1259488,LiFe(SiO3)2,-7.8230327933,-2.7320615528000003,0.032790377,0.032790377,GGA+U,C222_1,ABC6D2_oC80_20_c_ab_6c_abc:Fe-Li-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_oC80_20_c_2ab_19c_a2b2c:Fe-Li-O-Si, expected Li3Fe2Si7O38 to be LiFe(SiO3)2" +mp-752617,LiFe(SiO3)2,-7.838282975,-2.7473117346,0.0175401952,0.0175401952,GGA+U,C222,ABC6D2_oC20_21_a_b_fl_k:Fe-Li-O-Si,10.0,"Invalid WP multiplicities - ABC6D2_oC20_21_a_b_f2l_k:Fe-Li-O-Si, expected LiFe(SiO5)2 to be LiFe(SiO3)2" +mp-757449,LiFe(SiO3)2,-7.847137871,-2.7561666306,0.0086852992,0.0086852992,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Fe-Li-O-Si, expected LiFeSi5O21 to be LiFe(SiO3)2" +mp-757570,LiFe(SiO3)2,-7.7978236969,-2.7068524565,0.0579994734,0.0579994734,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Fe-Li-O-Si, expected LiFeSi5O21 to be LiFe(SiO3)2" +mp-1266318,LiFe(SiO3)2,-7.8293948357,-2.7384235953,0.0264283345,0.0264283345,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Fe-Li-O-Si, expected LiFeSi5O21 to be LiFe(SiO3)2" +mp-757648,LiFe(SiO3)2,-7.7667786759,-2.6758074355,0.0890444944,0.0890444944,GGA+U,I4_1/a,ABC6D2_tI160_88_f_f_6f_2f:Fe-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_tI160_88_f_f_31f_7f:Fe-Li-O-Si, expected LiFeSi7O31 to be LiFe(SiO3)2" +mp-772589,Li2Fe(Si2O5)2,-7.7958101324,-2.886632122,0.0500449043,0.0500449043,GGA+U,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Fe-Li-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_3i_19i_7i:Fe-Li-O-Si, expected Li3FeSi7O19 to be Li2Fe(Si2O5)2" +mp-758911,Li2Fe(Si2O5)2,-7.784174974,-2.8749969636,0.0616800626,0.0616800626,GGA+U,P2_1/c,AB2C10D4_mP68_14_e_2e_10e_4e:Fe-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_14_e_5e_37e_13e:Fe-Li-O-Si, expected Li5FeSi13O37 to be Li2Fe(Si2O5)2" +mp-759584,Li2Fe(Si2O5)2,-7.7689751826,-2.8597971723,0.076879854,0.076879854,GGA+U,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Fe-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e15f_7f:Fe-Li-O-Si, expected Li7Fe2(Si7O19)2 to be Li2Fe(Si2O5)2" +mp-759063,Li2Fe(Si2O5)2,-7.7707884016,-2.8616103913,0.075066635,0.075066635,GGA+U,P2_12_12_1,AB2C10D4_oP68_19_a_2a_10a_4a:Fe-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_oP68_19_a_5a_37a_13a:Fe-Li-O-Si, expected Li5FeSi13O37 to be Li2Fe(Si2O5)2" +mp-757438,Li4Fe2Si3O10,-7.4086602366,-2.6550510214000003,0.0200299026,0.0200299026,GGA+U,C2/c,A2B4C10D3_mC76_15_f_2f_5f_ef:Fe-Li-O-Si,38.0,"Invalid WP multiplicities - A2B4C10D3_mC76_15_f_7f_15f_2e3f:Fe-Li-O-Si, expected Li7FeSi4O15 to be Li4Fe2Si3O10" +mp-759075,Li9Fe4(SiO5)4,-6.9664160905,-2.3259988747,0.1027626582,0.1027626582,GGA+U,P1,A4B9C20D4_aP37_1_4a_9a_20a_4a:Fe-Li-O-Si,37.0,A4B9C20D4_aP37_1_4a_9a_20a_4a:Fe-Li-O-Si +mp-757523,Li2Fe2Si5O13,-7.9244063077,-2.8247957827,0.0335157032,0.0335157032,GGA+U,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Fe-Li-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_3i_3i_25i_9i:Fe-Li-O-Si, expected Li3Fe3Si9O25 to be Li2Fe2Si5O13" +mp-571109,Li2Nd2Si3,-4.8176324021,-0.5847617324000001,0.0,-0.0655125063,GGA,Cmcm,A2B2C3_oC28_63_f_2c_cf:Li-Nd-Si,14.0,A2B2C3_oC28_63_f_2c_cf:Li-Nd-Si +mp-757294,Li2Fe3Si3O10,-7.8290238103,-2.5528710011,0.026568284,0.026568284,GGA+U,C2/c,A3B2C10D3_mC72_15_cf_f_5f_ef:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - A3B2C10D3_mC72_15_a2f_f_17f_ef:Fe-Li-O-Si, expected Li2Fe5Si3O34 to be Li2Fe3Si3O10" +mp-796827,Li2Fe5(Si2O7)2,-5.89848129,-0.4135666556,2.0882132385,2.0882132385,GGA+U,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Fe-Li-O-Si,25.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_a3i_i_13i_3i:Fe-Li-O-Si, expected Li2Fe7(Si3O13)2 to be Li2Fe5(Si2O7)2" +mp-757408,Li2Fe5(Si2O7)2,-7.9557494384,-2.470834804,0.0309450901,0.0309450901,GGA+U,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Fe-Li-O-Si,25.0,A5B2C14D4_aP25_2_a2i_i_7i_2i:Fe-Li-O-Si +mp-758900,Li10Fe(SiO5)2,-6.268372715,-2.447643452,0.0549921412,0.0549921412,GGA+U,C2/m,AB10C10D2_mC92_12_i_4i3j_g5i2j_2i:Fe-Li-O-Si,46.0,"Invalid WP multiplicities - AB10C10D2_mC92_12_i_7i6j_g9i4j_3i:Fe-Li-O-Si, expected Li19Fe(SiO6)3 to be Li10Fe(SiO5)2" +mp-759034,Li2FeSi4O11,-7.6542450325,-2.7429830943,0.0921803753,0.0921803753,GGA+U,C2/c,AB2C11D4_mC72_15_c_2e_e5f_2f:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C11D4_mC72_15_a_3e_2e17f_3f:Fe-Li-O-Si, expected Li3Fe(SiO6)6 to be Li2FeSi4O11" +mp-758998,Li2FeSi4O11,-7.6636727853,-2.7524108471,0.0827526225,0.0827526225,GGA+U,I4/m,AB2C11D4_tI72_87_e_h_abh2i_i:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C11D4_tI72_87_e_h_ab3h6i_i:Fe-Li-O-Si, expected Li2FeSi4O31 to be Li2FeSi4O11" +mp-760086,Li17Fe6(Si2O7)6,-7.2501317245,-2.6249816177,0.0653527941,0.0653527941,GGA+U,P1,A6B17C42D12_aP77_1_6a_17a_42a_12a:Fe-Li-O-Si,77.0,A6B17C42D12_aP77_1_6a_17a_42a_12a:Fe-Li-O-Si +mp-757429,Li2Fe2Si4O11,-7.8803415495,-2.7817764917,0.0118422674,0.0118422674,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Fe-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Fe-Li-O-Si, expected Li3Fe3(SiO3)7 to be Li2Fe2Si4O11" +mp-797054,Li2Fe2Si4O11,-7.1214068374,-2.0228417796,0.7707769795,0.7707769795,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Fe-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Fe-Li-O-Si, expected Li3Fe3(SiO3)7 to be Li2Fe2Si4O11" +mp-801999,Li2Fe2Si4O11,-6.101275785,-1.0027107273,1.7909080318,1.7909080318,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Fe-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Fe-Li-O-Si, expected Li3Fe3(SiO3)7 to be Li2Fe2Si4O11" +mp-765771,Li2Fe2Si4O11,-7.8113160558,-2.712750998,0.0808677611,0.0808677611,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Fe-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Fe-Li-O-Si, expected Li3Fe3(SiO3)7 to be Li2Fe2Si4O11" +mp-758113,LiFe2(SiO4)2,-7.6659123131,-2.3372114641,0.1184575206,0.1184575206,GGA+U,P1,A2BC8D2_aP39_1_6a_3a_24a_6a:Fe-Li-O-Si,39.0,A2BC8D2_aP39_1_6a_3a_24a_6a:Fe-Li-O-Si +mp-780871,LiFe2(SiO4)2,-7.6641071153,-2.3354062663,0.1202627185,0.1202627185,GGA+U,P2,A2BC8D2_mP78_3_6e_2abc2d_24e_6e:Fe-Li-O-Si,78.0,"Invalid WP multiplicities - A2BC8D2_mP78_3_11e_2a2bcd_47e_11e:Fe-Li-O-Si, expected Li3Fe11Si11O47 to be LiFe2(SiO4)2" +mp-850962,LiFe2(SiO4)2,-7.6670132737,-2.3383124247,0.11735656,0.11735656,GGA+U,P6_422,A2BC8D2_hP78_181_gi_ad_4k_hj:Fe-Li-O-Si,78.0,"Invalid WP multiplicities - A2BC8D2_hP78_181_2gi_a2d_19k_4h3j:Fe-Li-O-Si, expected Li3Fe6(Si7O38)2 to be LiFe2(SiO4)2" +mp-753647,Li2Fe2SiO6,-7.3676346982,-2.2891493845,0.0599833468,0.0599833468,GGA+U,C222,A2B2C6D_oC22_21_k_i_el_c:Fe-Li-O-Si,22.0,A2B2C6D_oC22_21_k_i_el_c:Fe-Li-O-Si +mp-759160,Li2Fe2SiO6,-7.3256877756,-2.2472024619,0.1019302694,0.1019302694,GGA+U,Fdd2,A2B2C6D_oF264_43_2a2b_2a2b_9b_ab:Fe-Li-O-Si,66.0,"Invalid WP multiplicities - A2B2C6D_oF264_43_4a6b_4a6b_33b_2a2b:Fe-Li-O-Si, expected Li8Fe8(SiO11)3 to be Li2Fe2SiO6" +mp-778793,Li4Fe3(SiO4)3,-7.3940907764,-2.4540010617,0.1005474249,0.1005474249,GGA+U,P1,A3B4C12D3_aP22_1_3a_4a_12a_3a:Fe-Li-O-Si,22.0,A3B4C12D3_aP22_1_3a_4a_12a_3a:Fe-Li-O-Si +mp-777652,Li4Fe3(SiO4)3,-7.3779287455,-2.4378390308,0.1167094558,0.1167094558,GGA+U,C2,A3B4C12D3_mC44_5_ac_2c_6c_bc:Fe-Li-O-Si,22.0,"Invalid WP multiplicities - A3B4C12D3_mC44_5_ac_2c_11c_b2c:Fe-Li-O-Si, expected Li4Fe3Si5O22 to be Li4Fe3(SiO4)3" +mp-1177429,Li4Fe3(SiO4)3,-7.4030124408,-2.4629227262,0.0916257605,0.0916257605,GGA+U,P2_1/c,A3B4C12D3_mP88_14_3e_4e_12e_3e:Fe-Li-O-Si,88.0,"Invalid WP multiplicities - A3B4C12D3_mP88_14_9e_13e_47e_9e:Fe-Li-O-Si, expected Li13Fe9Si9O47 to be Li4Fe3(SiO4)3" +mp-756994,Li7Fe7SiO16,-7.0948662797,-2.0230938298,0.0656777165,0.0656777165,GGA+U,P1,A7B7C16D_aP31_1_7a_7a_16a_a:Fe-Li-O-Si,31.0,A7B7C16D_aP31_1_7a_7a_16a_a:Fe-Li-O-Si +mp-756759,Li7Fe7SiO16,-7.0378422426,-1.9660697927,0.1227017536,0.1227017536,GGA+U,P1,A7B7C16D_aP31_1_7a_7a_16a_a:Fe-Li-O-Si,31.0,A7B7C16D_aP31_1_7a_7a_16a_a:Fe-Li-O-Si +mp-765575,Li7Fe7SiO16,-7.0919845255,-2.0202120756,0.0685594707,0.0685594707,GGA+U,C222,A7B7C16D_oC62_21_bi2k_aj2k_ef3l_c:Fe-Li-O-Si,31.0,"Invalid WP multiplicities - A7B7C16D_oC62_21_b2i4k_a2j4k_ef10l_c:Fe-Li-O-Si, expected Li13Fe13SiO44 to be Li7Fe7SiO16" +mp-753932,Li6Fe(SiO4)2,-6.6992460415,-2.5611457968,0.0618104934,0.0618104934,GGA+U,P-1,AB6C8D2_aP17_2_a_3i_4i_i:Fe-Li-O-Si,34.0,AB6C8D2_aP17_2_a_3i_4i_i:Fe-Li-O-Si +mp-758766,Li3FeSi2O7,-7.231034089,-2.6407074084,0.0628010092,0.0628010092,GGA+U,Pnma,AB3C7D2_oP52_62_a_cd_c3d_d:Fe-Li-O-Si,52.0,"Invalid WP multiplicities - AB3C7D2_oP52_62_a_2c3d_4c9d_d:Fe-Li-O-Si, expected Li8Fe(SiO11)2 to be Li3FeSi2O7" +mp-759383,Li3FeSi2O7,-7.2577163115,-2.6673896309,0.0361187867,0.0361187867,GGA+U,P6_3,AB3C7D2_hP78_173_a2b_a2b2c_7c_2c:Fe-Li-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_173_a3b_a4b9c_41c_9c:Fe-Li-O-Si, expected Li32Fe4(Si9O41)3 to be Li3FeSi2O7" +mp-857353,LiFe(Si2O5)2,-8.0376230131,-2.9409290563,0.0126154333,0.0126154333,GGA+U,P2/c,ABC10D4_mP32_13_e_e_bf4g_2g:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - ABC10D4_mP32_13_e_e_2b2f15g_5g:Fe-Li-O-Si, expected LiFe(Si5O17)2 to be LiFe(Si2O5)2" +mp-765958,LiFe(Si2O5)2,-8.0033897084,-2.9066957516,0.046848738,0.046848738,GGA+U,Pnc2,ABC10D4_oP32_30_a_b_ab4c_2c:Fe-Li-O-Si,32.0,"Invalid WP multiplicities - ABC10D4_oP32_30_a_b_ab8c_3c:Fe-Li-O-Si, expected LiFe(SiO3)6 to be LiFe(Si2O5)2" +mp-757120,LiFe(Si2O5)2,-7.9619976972,-2.8653037404,0.0882407492,0.0882407492,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Fe-Li-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_4f13g_g:Fe-Li-O-Si, expected LiFe(SiO15)4 to be LiFe(Si2O5)2" +mp-753713,Li4FeSi2O7,-7.0807469209,-2.6819490841,0.0189371332,0.0189371332,GGA+U,C2,AB4C7D2_mC28_5_a_2c_b3c_c:Fe-Li-O-Si,56.0,AB4C7D2_mC28_5_a_2c_b3c_c:Fe-Li-O-Si +mp-757988,Li4FeSi2O7,-7.0893228811,-2.6905250443,0.010361173,0.010361173,GGA+U,Cc,AB4C7D2_mC56_9_2a_8a_14a_4a:Fe-Li-O-Si,56.0,AB4C7D2_mC56_9_a_4a_7a_2a:Fe-Li-O-Si +mp-758011,Li2Fe4Si4O13,-7.9278060878,-2.5492775687,0.032863752,0.032863752,GGA+U,P-1,A4B2C13D4_aP46_2_4i_2i_13i_4i:Fe-Li-O-Si,46.0,"Invalid WP multiplicities - A4B2C13D4_aP46_2_7i_3i_25i_7i:Fe-Li-O-Si, expected Li3Fe7Si7O25 to be Li2Fe4Si4O13" +mp-763619,Li2Fe(SiO3)2,-7.5049623914,-2.7032682758,0.0526696252,0.0526696252,GGA+U,P2_1,AB2C6D2_mP22_4_a_2a_6a_2a:Fe-Li-O-Si,22.0,AB2C6D2_mP22_4_a_2a_6a_2a:Fe-Li-O-Si +mp-753951,Li2Fe(SiO3)2,-7.5061928477,-2.7044987322000003,0.0514391689,0.0514391689,GGA+U,C2/c,AB2C6D2_mC44_15_e_f_ae2f_f:Fe-Li-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_mC44_15_e_f_2a2e4f_f:Fe-Li-O-Si, expected Li2Fe(SiO6)2 to be Li2Fe(SiO3)2" +mp-758910,Li2Fe(SiO3)2,-7.4660909097,-2.6643967942,0.0915411069,0.0915411069,GGA+U,Pmn2_1,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Fe-Li-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oP66_31_6a_4a6b_8a26b_4a6b:Fe-Li-O-Si, expected Li8Fe3(Si4O15)2 to be Li2Fe(SiO3)2" +mp-863407,Li2Fe(SiO3)2,-7.4713830095,-2.669688894,0.086249007,0.086249007,GGA+U,Pmn2_1,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Fe-Li-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oP66_31_6a_4a6b_8a26b_4a6b:Fe-Li-O-Si, expected Li8Fe3(Si4O15)2 to be Li2Fe(SiO3)2" +mp-753634,Li2Fe(SiO3)2,-7.5460746616,-2.7443805461,0.011557355,0.011557355,GGA+U,Fdd2,AB2C6D2_oF88_43_a_b_3b_b:Fe-Li-O-Si,44.0,AB2C6D2_oF88_43_a_b_3b_b:Fe-Li-O-Si +mp-863428,Li2Fe(SiO3)2,-7.500209765,-2.6985156495,0.0574222516,0.0574222516,GGA+U,Fdd2,AB2C6D2_oF264_43_ab_2a2b_9b_2a2b:Fe-Li-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oF264_43_2a2b_4a6b_33b_4a6b:Fe-Li-O-Si, expected Li8Fe3Si8O33 to be Li2Fe(SiO3)2" +mp-780681,LiFe3(SiO4)2,-7.9163187245,-2.3632378498,0.0627808653,0.0627808653,GGA+U,P1,A3BC8D2_aP42_1_9a_3a_24a_6a:Fe-Li-O-Si,42.0,A3BC8D2_aP42_1_9a_3a_24a_6a:Fe-Li-O-Si +mp-767707,Li2Fe5Si5O16,-7.9790836282,-2.5347421527,0.0491361908,0.0491361908,GGA+U,P1,A5B2C16D5_aP28_1_5a_2a_16a_5a:Fe-Li-O-Si,28.0,A5B2C16D5_aP28_1_5a_2a_16a_5a:Fe-Li-O-Si +mp-883454,Li2Fe5Si5O16,-7.9495235429,-2.5051820674,0.0786962762,0.0786962762,GGA+U,P2_1,A5B2C16D5_mP56_4_5a_2a_16a_5a:Fe-Li-O-Si,56.0,"Invalid WP multiplicities - A5B2C16D5_mP56_4_9a_4a_30a_7a:Fe-Li-O-Si, expected Li4Fe9Si7O30 to be Li2Fe5Si5O16" +mp-1262173,Li2Fe2Si2O9,-7.3456514275,-2.2704032532,0.1095919083,0.1095919083,GGA+U,Pna2_1,A2B2C9D2_oP60_33_2a_2a_9a_2a:Fe-Li-O-Si,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_33_8a_8a_34a_8a:Fe-Li-O-Si, expected Li4Fe4Si4O17 to be Li2Fe2Si2O9" +mp-758821,Li2Fe2Si2O9,-7.3383751547,-2.2631269804,0.1168681811,0.1168681811,GGA+U,Pbcn,A2B2C9D2_oP60_60_d_d_c4d_d:Fe-Li-O-Si,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_60_d_d_2c15d_d:Fe-Li-O-Si, expected LiFeSiO16 to be Li2Fe2Si2O9" +mp-1178074,Li15Fe15SiO32,-6.9909764217,-1.9210793116,0.0949564116,0.0949564116,GGA+U,P1,A15B15C32D_aP63_1_15a_15a_32a_a:Fe-Li-O-Si,63.0,A15B15C32D_aP63_1_15a_15a_32a_a:Fe-Li-O-Si +mp-754087,Li3Fe2(SiO4)2,-7.3885599873,-2.515829536,0.0412133757,0.0412133757,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si +mp-850922,Li3Fe2(SiO4)2,-7.3562562933,-2.483525842,0.0735170697,0.0735170697,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si +mp-752644,Li3Fe2(SiO4)2,-7.3661741227,-2.4934436713,0.0635992403,0.0635992403,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si +mp-764102,Li3Fe2(SiO4)2,-7.3704863817,-2.4977559303,0.0592869813,0.0592869813,GGA+U,P1,A2B3C8D2_aP30_1_4a_6a_16a_4a:Fe-Li-O-Si,30.0,A2B3C8D2_aP30_1_4a_6a_16a_4a:Fe-Li-O-Si +mp-1306409,Li3Fe2(SiO4)2,-7.3858175533,-2.513087102,0.0439558097,0.0439558097,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Fe-Li-O-Si +mp-758569,Li3Fe2(SiO4)2,-7.3698163513,-2.4970859,0.0599570117,0.0599570117,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_2a_5a_12a_2a:Fe-Li-O-Si, expected Li5Fe2(SiO6)2 to be Li3Fe2(SiO4)2" +mp-758173,Li3Fe2(SiO4)2,-7.388955227,-2.5162247757,0.040818136,0.040818136,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_2a_4a_16a_2a:Fe-Li-O-Si, expected Li2FeSiO8 to be Li3Fe2(SiO4)2" +mp-758973,Li3Fe2(SiO4)2,-7.367681503,-2.4949510517,0.06209186,0.06209186,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_2a_5a_14a_2a:Fe-Li-O-Si, expected Li5Fe2(SiO7)2 to be Li3Fe2(SiO4)2" +mp-1303127,Li3Fe2(SiO4)2,-7.3886252567,-2.5158948053,0.0411481063,0.0411481063,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_3a_4a_12a_2a:Fe-Li-O-Si, expected Li4Fe3(SiO6)2 to be Li3Fe2(SiO4)2" +mp-1177678,Li3Fe2(SiO4)2,-7.3600435093,-2.487313058,0.0697298537,0.0697298537,GGA+U,C2,A2B3C8D2_mC30_5_c_ac_4c_ab:Fe-Li-O-Si,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_5_c_ac_6c_ab:Fe-Li-O-Si, expected Li3Fe2(SiO6)2 to be Li3Fe2(SiO4)2" +mp-1308156,Li3Fe2(SiO4)2,-7.3873132423,-2.514582791,0.0424601207,0.0424601207,GGA+U,C2,A2B3C8D2_mC60_5_2c_ab2c_8c_abc:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mC60_5_2c_ab3c_14c_abc:Fe-Li-O-Si, expected Li2FeSiO7 to be Li3Fe2(SiO4)2" +mp-774106,Li3Fe2(SiO4)2,-7.372820185,-2.5000897337,0.056953178,0.056953178,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_7_2a_4a_14a_2a:Fe-Li-O-Si, expected Li2FeSiO7 to be Li3Fe2(SiO4)2" +mp-778622,Li3Fe2(SiO4)2,-7.3563828387,-2.4836523873000003,0.0733905243,0.0733905243,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Fe-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_7_4a_3a_12a_2a:Fe-Li-O-Si, expected Li3Fe4(SiO6)2 to be Li3Fe2(SiO4)2" +mp-760096,Li3Fe2(SiO4)2,-7.367459419,-2.4947289677,0.062313944,0.062313944,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Fe-Li-O-Si,30.0,A2B3C8D2_mP30_7_4a_6a_16a_4a:Fe-Li-O-Si +mp-1177679,Li3Fe2(SiO4)2,-7.391906891,-2.5191764397,0.037866472,0.037866472,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Fe-Li-O-Si,30.0,A2B3C8D2_mP30_7_4a_6a_16a_4a:Fe-Li-O-Si +mp-760971,Li3Fe2(SiO4)2,-7.357565124,-2.4848346727,0.072208239,0.072208239,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Fe-Li-O-Si,30.0,A2B3C8D2_mP30_7_4a_6a_16a_4a:Fe-Li-O-Si +mp-1177702,Li3Fe2(SiO4)2,-7.396237105,-2.5235066537,0.033536258,0.033536258,GGA+U,P2_1/c,A2B3C8D2_mP60_14_2e_3e_8e_2e:Fe-Li-O-Si,60.0,"Invalid WP multiplicities - A2B3C8D2_mP60_14_5e_9e_29e_5e:Fe-Li-O-Si, expected Li9Fe5Si5O29 to be Li3Fe2(SiO4)2" +mp-772312,Li2Fe2(Si2O5)3,-7.7973830497,-2.6969779696,0.2104999887,0.2104999887,GGA+U,Cmce,A2B2C15D6_oC200_64_de_ef_3f6g_3g:Fe-Li-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_3d2e_2ef_9f16g_7g:Fe-Li-O-Si, expected Li3Fe5Si14O41 to be Li2Fe2(Si2O5)3" +mp-757339,Li16Fe4SiO16,-6.0976227697,-2.0707257936,0.1047961709,0.1047961709,GGA+U,P1,A4B16C16D_aP37_1_4a_16a_16a_a:Fe-Li-O-Si,37.0,A4B16C16D_aP37_1_4a_16a_16a_a:Fe-Li-O-Si +mp-779820,Li3Fe4(Si3O10)2,-7.7441901327,-2.5595678344,0.0834847534,0.0834847534,GGA+U,P1,A4B3C20D6_aP33_1_4a_3a_20a_6a:Fe-Li-O-Si,33.0,A4B3C20D6_aP33_1_4a_3a_20a_6a:Fe-Li-O-Si +mp-775750,LiFe(Si2O5)3,-7.8940741749,-2.8014140477,0.1062375057,0.1062375057,GGA+U,Cmce,ABC15D6_oC184_64_e_d_3f6g_3g:Fe-Li-O-Si,92.0,"Invalid WP multiplicities - ABC15D6_oC184_64_e_d_12f47g_19g:Fe-Li-O-Si, expected LiFe(Si19O53)2 to be LiFe(Si2O5)3" +mp-757348,Li2Fe(Si2O5)3,-7.807601089,-2.847596681,0.0957839436,0.0957839436,GGA+U,P-1,AB2C15D6_aP24_2_b_i_e7i_3i:Fe-Li-O-Si,48.0,AB2C15D6_aP24_2_b_i_e7i_3i:Fe-Li-O-Si +mp-766984,Li2Fe(Si2O5)3,-7.8153030748,-2.8552986668,0.0880819577,0.0880819577,GGA+U,P2_1,AB2C15D6_mP48_4_a_2a_15a_6a:Fe-Li-O-Si,48.0,"Invalid WP multiplicities - AB2C15D6_mP48_4_a_3a_29a_11a:Fe-Li-O-Si, expected Li3FeSi11O29 to be Li2Fe(Si2O5)3" +mp-757460,Li2Fe(Si2O5)3,-7.8028285477,-2.8428241397000003,0.1005564848,0.1005564848,GGA+U,Cc,AB2C15D6_mC96_9_a_2a_15a_6a:Fe-Li-O-Si,48.0,"Invalid WP multiplicities - AB2C15D6_mC96_9_a_4a_30a_12a:Fe-Li-O-Si, expected Li4Fe(Si2O5)6 to be Li2Fe(Si2O5)3" +mp-775303,Li2Fe(Si2O5)3,-7.8441967239,-2.8841923159,0.0591883087,0.0591883087,GGA+U,Cmce,AB2C15D6_oC192_64_e_de_3f6g_3g:Fe-Li-O-Si,96.0,"Invalid WP multiplicities - AB2C15D6_oC192_64_e_2d3e_12f47g_19g:Fe-Li-O-Si, expected Li5Fe(Si19O53)2 to be Li2Fe(Si2O5)3" +mp-1176885,Li7Fe6(SiO4)6,-7.5246304744,-2.5140485075,0.0378895343,0.0378895343,GGA+U,P1,A6B7C24D6_aP43_1_6a_7a_24a_6a:Fe-Li-O-Si,43.0,A6B7C24D6_aP43_1_6a_7a_24a_6a:Fe-Li-O-Si +mp-780866,LiFe2Si2O7,-7.8710745923,-2.5105393985,0.056878521,0.056878521,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Fe-Li-O-Si,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_5e_e_25e_5e:Fe-Li-O-Si, expected LiFe5(SiO5)5 to be LiFe2Si2O7" +mp-752904,Li3Fe3SiO8,-7.2237413247,-2.1480306613,0.0934861135,0.0934861135,GGA+U,P2/m,A3B3C8D_mP15_10_aj_gk_mno_b:Fe-Li-O-Si,15.0,"Invalid WP multiplicities - A3B3C8D_mP15_10_aj_cl_2m2n3o_b:Fe-Li-O-Si, expected Li3Fe3SiO20 to be Li3Fe3SiO8" +mp-759321,Li2FeSiO5,-7.0142760747,-2.2979840159,0.0997178231,0.0997178231,GGA+U,P2_1/c,AB2C5D_mP72_14_2e_4e_10e_2e:Fe-Li-O-Si,72.0,"Invalid WP multiplicities - AB2C5D_mP72_14_7e_13e_37e_7e:Fe-Li-O-Si, expected Li13Fe7Si7O37 to be Li2FeSiO5" +mp-758787,Li2FeSiO5,-6.9956030344,-2.2793109756,0.1183908634,0.1183908634,GGA+U,Pmc2_1,AB2C5D_oP36_26_ab_abc_ab4c_c:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C5D_oP36_26_ab_ab2c_ab8c_c:Fe-Li-O-Si, expected Li3FeSiO9 to be Li2FeSiO5" +mp-1304341,Li2FeSiO5,-7.0187350572,-2.3024429984,0.0952588406,0.0952588406,GGA+U,Pmmn,AB2C5D_oP18_59_a_c_aef_b:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C5D_oP18_59_a_c_a2e3f_b:Fe-Li-O-Si, expected Li2FeSiO11 to be Li2FeSiO5" +mp-1303469,Li2FeSiO5,-7.01826845,-2.3019763912,0.0957254479,0.0957254479,GGA+U,Ibca,AB2C5D_oI72_73_c_ae_c2f_d:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C5D_oI72_73_c_2a2e_c9f_d:Fe-Li-O-Si, expected Li4FeSiO19 to be Li2FeSiO5" +mp-753936,Li2FeSiO5,-7.0212929828,-2.3050009239,0.0927009151,0.0927009151,GGA+U,P4/nmm,AB2C5D_tP18_129_c_d_ci_b:Fe-Li-O-Si,18.0,"Invalid WP multiplicities - AB2C5D_tP18_129_c_d_2c3i_b:Fe-Li-O-Si, expected Li2FeSiO14 to be Li2FeSiO5" +mp-1304562,Li2FeSiO5,-7.02700589,-2.3107138312,0.0869880079,0.0869880079,GGA+U,P4/nmm,AB2C5D_tP36_129_2c_de_2c2i_f:Fe-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C5D_tP36_129_3c_4d4e_3c11i_f:Fe-Li-O-Si, expected Li16Fe3Si2O47 to be Li2FeSiO5" +mp-1518098,Sr2PrNiO6,-6.687436466,-2.3254203051,0.1662599952,0.1662599952,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ni-O-Pr-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ni-O-Pr-Sr +mp-1218716,Sr2Pr2TlNi2O9,-6.91456287,-2.4530682872,0.0,-0.0009036113,GGA+U,Fmm2,A2B9C2D2E_oF64_42_c_a2ce_c_c_a:Ni-O-Pr-Sr-Tl,16.0,A2B9C2D2E_oF64_42_c_a2ce_c_c_a:Ni-O-Pr-Sr-Tl +mp-1095865,Ti2FeRh,-5.1005690525,2.8057592258,3.386860365,3.386860365,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Fe-Rh-Ti +mp-1217275,Ti2FeB6(Os2Rh)3,-8.7491996117,-0.2050616084,0.2557004754,0.2557004754,GGA,Amm2,A6BC6D3E2_oC36_38_2bde_a_3e_ad_d:B-Fe-Os-Rh-Ti,18.0,"Invalid WP multiplicities - A6BC6D3E2_oC36_38_2bde_a_6e_ad_d:B-Fe-Os-Rh-Ti, expected Ti2FeB6(Os4Rh)3 to be Ti2FeB6(Os2Rh)3" +mp-1189775,Ti2FeB2Rh5,-8.009112035,-0.5649792215,0.0923228076,0.0923228076,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Rh-Ti,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Rh-Ti +mp-1093687,Ti2OsRh,-5.65458179,2.9410830433,3.6652994275,3.6652994275,GGA,Immm,ABC2_oI8_71_a_b_e:Os-Rh-Ti,4.0,ABC2_oI8_71_a_b_e:Os-Rh-Ti +mp-1187424,Ti2OsRh,-9.30465479,-0.7089899567,0.0152264275,0.0152264275,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Os-Rh-Ti,4.0,ABC2_cF16_225_a_b_c:Os-Rh-Ti +mp-1095843,Ti2FeOs,-5.58578031,3.2863128583,3.8510284775,3.850258255,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Os-Ti,4.0,ABC2_oI8_71_a_b_e:Fe-Os-Ti +mp-1187427,Ti2FeOs,-9.4368087875,-0.5647156192,0.0,-0.0007702225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Os-Ti,4.0,ABC2_cF16_225_a_b_c:Fe-Os-Ti +mp-1518751,NaPrHfZrO6,-8.870471041,-3.4416257434,0.1475651138,0.1475651138,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Zr +mp-6468,BaNd2ZnO5,-7.3012606706,-3.1403210071,0.0125450288,0.0125450288,GGA,I4/mcm,AB2C5D_tI36_140_a_h_cl_b:Ba-Nd-O-Zn,18.0,AB2C5D_tI36_140_a_h_cl_b:Ba-Nd-O-Zn +mp-1209914,Nd2ZnPtO6,-7.2335658065,-2.5788354002,0.0172368044,0.0172368044,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Nd-O-Pt-Zn,20.0,A2B6CD_mP20_14_e_3e_a_b:Nd-O-Pt-Zn +mp-9837,Ba4Nd4Zn3PtO15,-6.9145438785,-2.8108703856,0.0,-0.0006361786,GGA,P6_3mc,A4B4C15DE3_hP54_186_bc_ac_3cd_b_c:Ba-Nd-O-Pt-Zn,54.0,"Invalid WP multiplicities - A4B4C15DE3_hP54_186_bc_2a2c_3cd_b_c:Ba-Nd-O-Pt-Zn, expected Ba4Nd8Zn3PtO15 to be Ba4Nd4Zn3PtO15" +mp-556525,BaNd2PtO5,-7.6705080706,-2.9749695504,0.0,-0.0071902065,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Nd-O-Pt,18.0,"Invalid WP multiplicities - AB2C5D_tP18_127_b_g_2a2k_c:Ba-Nd-O-Pt, expected BaNd2PtO10 to be BaNd2PtO5" +mp-1518847,Sr2HfNbO6,-8.754552909000001,-3.4427915846,0.0586534828,0.0586534828,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Hf-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Hf-Nb-O-Sr +mp-1096004,Hf2NbIn,-4.7139789,3.4778628075,3.5246964875,3.5246964875,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-In-Nb,4.0,A2BC_oI8_71_e_a_b:Hf-In-Nb +mp-1519782,SrHfNbInO6,-8.484331213,-3.0663508609,0.1222718614,0.1222718614,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Hf-In-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Hf-In-Nb-O-Sr +mp-37520,Ca(PrTe2)2,-5.1874406686,-1.738778531,0.0151041323,0.0151041323,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-Pr-Te,14.0,AB2C4_tI28_122_a_d_e:Ca-Pr-Te +mp-40186,LiCaPrTeO6,-6.878232544,-2.7263458777,0.0178366566,0.0178366566,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Ca-Li-O-Pr-Te,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Ca-Li-O-Pr-Te, expected LiCaPrTeO12 to be LiCaPrTeO6" +mp-1211386,Li3Pr3(TeO6)2,-6.9956468874,-2.709828778,0.0,-0.0383063642,GGA,Ia-3d,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Pr-Te,80.0,A3B12C3D2_cI160_230_d_h_c_a:Li-O-Pr-Te +mp-1211115,LiCa2TeO6,-6.269074603,-2.3947185242,0.0610868248,0.0610868248,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Li-O-Te,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Li-O-Te +mp-1227458,BaSrPrCu3O7,-6.4128833915,-2.1579745348,0.0362322275,0.0362322275,GGA,Pmm2,AB3C7DE_oP13_25_a_3d_2b3c2d_a_a:Ba-Cu-O-Pr-Sr,13.0,AB3C7DE_oP13_25_a_3d_2b3c2d_a_a:Ba-Cu-O-Pr-Sr +mp-1218846,Sr2CoRuO6,-7.070557754,-2.1263738031,0.034161035,0.034161035,GGA+U,R-3,AB6CD2_hR30_148_a_f_b_c:Co-O-Ru-Sr,10.0,AB6CD2_hR30_148_a_f_b_c:Co-O-Ru-Sr +mp-1218146,SrNdCoO4,-7.4545644236,-2.6898910627,0.040107127,0.040107127,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Co-Nd-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Co-Nd-O-Sr, expected SrNdCoO6 to be SrNdCoO4" +mp-1218151,SrNdCoO4,-7.4754426657,-2.7107693049,0.0192288848,0.0192288848,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Co-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Co-Nd-O-Sr +mp-1218485,Sr3CoRuO7,-6.9712180042,-2.2980495314,0.0386792571,0.0386792571,GGA+U,I4mm,AB7CD3_tI24_107_a_3a2b_a_3a:Co-O-Ru-Sr,12.0,AB7CD3_tI24_107_a_3a2b_a_3a:Co-O-Ru-Sr +mp-1521245,SrNd(CoO3)4,-6.6453834528,-1.409206975,0.2333907767,0.2333907767,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Nd-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Nd-O-Sr, expected SrNd(CoO4)4 to be SrNd(CoO3)4" +mp-1218466,Sr3Nd(CoO4)2,-7.0678332971,-2.5230637920000003,0.0294233698,0.0294233698,GGA+U,Amm2,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Co-Nd-O-Sr,14.0,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Co-Nd-O-Sr +mp-1220183,NdCoRu,-7.1531949,-0.1029056442,0.02855835,0.02855835,GGA,Imma,ABC_oI12_74_a_e_c:Co-Nd-Ru,6.0,ABC_oI12_74_a_e_c:Co-Nd-Ru +mp-1210035,Nd2CoRuO6,-8.051903146,-2.4919883993000003,0.0937507208,0.0937507208,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Nd-O-Ru,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Nd-O-Ru +mp-1218181,SrNdCoRuO6,-7.5952816765,-2.3432323277,0.0501822781,0.0501822781,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Co-Nd-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Co-Nd-O-Ru-Sr +mp-1218219,SrNdCoRuO6,-7.5893470338,-2.3372976849,0.0561169208,0.0561169208,GGA+U,P2/c,ABC6DE_mP40_13_ab_ef_6g_cd_ef:Co-Nd-O-Ru-Sr,40.0,"Invalid WP multiplicities - ABC6DE_mP40_13_ab_ef_12g_cd_ef:Co-Nd-O-Ru-Sr, expected SrNdCoRuO12 to be SrNdCoRuO6" +mp-1274523,Sr3CoRuO6,-7.0004391364,-2.3521361398,0.0302780277,0.0157858834,GGA+U,P1,AB6CD3_aP22_1_2a_12a_2a_6a:Co-O-Ru-Sr,22.0,AB6CD3_aP22_1_2a_12a_2a_6a:Co-O-Ru-Sr +mp-1284324,Sr3CoRuO6,-7.0307171641,-2.3824141675,0.0,-0.0144921443,GGA+U,P-1,AB6CD3_aP22_2_i_6i_be_3i:Co-O-Ru-Sr,22.0,"Invalid WP multiplicities - AB6CD3_mC44_15_e_12f_a_2e3f:Co-O-Ru-Sr, expected Sr8CoRuO24 to be Sr3CoRuO6" +mp-1272663,Sr3CoRuO6,-7.0174338164,-2.3691308198,0.0132833477,-0.0012087966,GGA+U,C2/c,AB6CD3_mC44_15_e_3f_c_ef:Co-O-Ru-Sr,22.0,"Invalid WP multiplicities - AB6CD3_mC44_15_e_12f_c_2e3f:Co-O-Ru-Sr, expected Sr8CoRuO24 to be Sr3CoRuO6" +mp-1191382,Sr3CoRuO6,-7.0032635036,-2.354960507,0.0274536605,0.0129615161,GGA+U,R-3c,AB6CD3_hR66_167_a_f_b_e:Co-O-Ru-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Co-O-Ru-Sr +mp-1518586,NaCaZrBiO6,-7.017659866,-2.4780151459,0.1548401853,0.1548401853,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-Na-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-Na-O-Zr +mp-658695,Na3Ca2BiO6,-5.7369746892,-2.2786916027,0.0092743208,-0.0211932163,GGA,P1,AB2C3D6_aP24_1_2a_4a_6a_12a:Bi-Ca-Na-O,24.0,AB2C3D6_aP24_1_2a_4a_6a_12a:Bi-Ca-Na-O +mp-557506,Na3Ca2BiO6,-5.74624901,-2.2879659235,0.0,-0.0304675371,GGA,Fddd,AB2C3D6_oF96_70_a_e_be_fh:Bi-Ca-Na-O,24.0,"Invalid WP multiplicities - AB2C3D6_oF96_70_a_e_be_3f3h:Bi-Ca-Na-O, expected Na3Ca2BiO18 to be Na3Ca2BiO6" +mp-22531,Ba2GdNbO6,-9.194270486,-3.4247195433,0.0,-0.0325170705,GGA,I4/m,A2BCD6_tI20_87_d_a_b_eh:Ba-Gd-Nb-O,10.0,A2BCD6_tI20_87_d_a_b_eh:Ba-Gd-Nb-O +mp-19996,Ba2GdNbO6,-9.189213558,-3.4196626153,0.005056928,-0.0274601425,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Gd-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Gd-Nb-O +mp-1228688,BaSrGd4O8,-10.7297123861,-3.6235361687,0.0108170312,0.0108170312,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Gd-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Gd-O-Sr +mp-1522883,BaSrGdNbO6,-9.166736428,-3.4201336339,0.0115943936,0.0115943936,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Gd-Nb-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Gd-Nb-O-Sr, expected BaSrGdNbO12 to be BaSrGdNbO6" +mp-1522918,BaSrGdNbO6,-9.1634141535,-3.4168113594,0.0149166681,0.0149166681,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Gd-Nb-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Gd-Nb-O-Sr +mp-1522933,BaSrGdNbO6,-9.133214481,-3.3866116869000003,0.0451163406,0.0451163406,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Gd-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Gd-Nb-O-Sr +mp-1522264,EuZrFeBiO6,-8.571504517,-2.4919700132,0.1741589778,0.1741589778,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Fe-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Fe-O-Zr +mp-1522366,EuZrFeBiO6,-7.516195482,-1.4366609783,1.2294680127,1.2294680127,GGA+U,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Bi-Eu-Fe-O-Zr,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Bi-Eu-Fe-O-Zr +mp-1519374,Eu2ZrFeO6,-9.702818781,-2.9816330103,0.0652114332,0.0652114332,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-Zr +mp-1205897,Zr6FeBi2,-7.8162845378,-0.3232619544,0.0,-0.0541102304,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Zr,9.0,A2BC6_hP9_189_c_b_fg:Bi-Fe-Zr +mp-1218481,Sr3PrMn4O12,-7.899138531,-2.6062529401,0.0093336151,0.0093336151,GGA+U,Amm2,A4B12CD3_oC40_38_f_2cdef_a_a2b:Mn-O-Pr-Sr,20.0,"Invalid WP multiplicities - A4B12CD3_oC40_38_f_4cd2ef_a_a2b:Mn-O-Pr-Sr, expected Sr3PrMn4O18 to be Sr3PrMn4O12" +mp-1218433,Sr3PrMn4O12,-7.889583581,-2.5966979901,0.0188885651,0.0188885651,GGA+U,Im-3m,A4B12CD3_cI40_229_c_h_a_b:Mn-O-Pr-Sr,20.0,A4B12CD3_cI40_229_c_h_a_b:Mn-O-Pr-Sr +mp-1218591,Sr4PrMn5O15,-7.828189548,-2.5662180801,0.0263781001,0.0263781001,GGA+U,C2/m,A5B15CD4_mC50_12_c2i_bf2i2j_a_2i:Mn-O-Pr-Sr,25.0,"Invalid WP multiplicities - A5B15CD4_mC50_12_c3i_a2e3i8j_b_3i:Mn-O-Pr-Sr, expected Sr6PrMn7O43 to be Sr4PrMn5O15" +mp-1217972,SrPrMnO4,-8.0361065814,-2.9762252464000003,0.0157278266,0.0157278266,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Mn-O-Pr-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Mn-O-Pr-Sr +mp-1517368,Sr2PrNbO6,-8.131704208,-3.3375712111,0.0610865154,0.0610865154,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Pr-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Pr-Sr +mp-1205687,Sr2PrNbO6,-8.046289555,-3.2521565581,0.1465011684,0.1465011684,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Nb-O-Pr-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Nb-O-Pr-Sr +mp-1522937,SrPrMnNbO6,-8.549886395,-3.0085012142,0.1393680018,0.1393680018,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Mn-Nb-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Mn-Nb-O-Pr-Sr +mp-1218264,SrPr2Mn3O9,-8.3576762953,-2.8071730126,0.0,-0.004864069,GGA+U,C2/c,A3B9C2D_mC60_15_af_e4f_f_e:Mn-O-Pr-Sr,30.0,"Invalid WP multiplicities - A3B9C2D_mC60_15_2c3f_2e14f_f_e:Mn-O-Pr-Sr, expected SrPr2Mn8O30 to be SrPr2Mn3O9" +mp-1218059,SrPrMn2O6,-8.177273375,-2.729817169,0.0007212606,0.0007212606,GGA+U,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Mn-O-Pr-Sr,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_3a6b_a_a:Mn-O-Pr-Sr, expected SrPrMn2O15 to be SrPrMn2O6" +mp-1218779,Sr2PrMn3O9,-7.993171135,-2.6487620057,0.0051418409,0.0051418409,GGA+U,C2/c,A3B9CD2_mC60_15_af_e4f_e_f:Mn-O-Pr-Sr,30.0,"Invalid WP multiplicities - A3B9CD2_mC60_15_2c3f_e13f_e_f:Mn-O-Pr-Sr, expected Sr2PrMn8O27 to be Sr2PrMn3O9" +mp-1218451,Sr3PrMn2O8,-7.70710798,-2.8680418093,0.0,-0.0149540035,GGA+U,Amm2,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Mn-O-Pr-Sr,14.0,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Mn-O-Pr-Sr +mp-2222849,Ba2DyMgSbO6,-6.5438074109,-2.5570664766,0.4750997066,0.4750997066,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Dy-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Dy-Mg-O-Sb, expected Ba2DyMgSbO12 to be Ba2DyMgSbO6" +mp-2240528,Ba2DyMgSbO6,-6.6474080573,-2.660667123,0.3714990603,0.3714990603,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Dy-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Dy-Mg-O-Sb, expected Ba2DyMgSbO12 to be Ba2DyMgSbO6" +mp-2240337,Ba2DyMgSbO6,-6.7911947809,-2.8044538466,0.2277123366,0.2277123366,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Dy-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Dy-Mg-O-Sb, expected Ba2DyMgSbO15 to be Ba2DyMgSbO6" +mp-1522418,Ba2DySbO6,-7.3173943498,-3.092007327,0.0021736912,-0.1018584172,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Dy-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Dy-O-Sb +mp-6192,Ba2DySbO6,-7.319568041,-3.0941810182,0.0,-0.1040321085,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-Sb +mp-1234228,Dy6Mg(Sb5O12)2,-7.1710617005,-2.5551704185,0.1203220006,0.1203220006,GGA,Cm,A6BC24D10_mC82_8_3b_a_4a10b_4a3b:Dy-Mg-O-Sb,41.0,A6BC24D10_mC82_8_3b_a_4a10b_4a3b:Dy-Mg-O-Sb +mp-1233253,Dy6Mg(Sb5O12)2,-7.145950101,-2.530058819,0.1454336001,0.1454336001,GGA,I-42m,A6BC24D10_tI82_121_df_a_2i2j_egi:Dy-Mg-O-Sb,41.0,"Invalid WP multiplicities - A6BC24D10_tI82_121_d2f_a_5i5j_eg2i:Dy-Mg-O-Sb, expected Dy10Mg(Sb7O30)2 to be Dy6Mg(Sb5O12)2" +mp-1234638,Dy6Mg(Sb5O12)2,-7.1699768827,-2.5540856007,0.1214068184,0.1214068184,GGA,R3m,A6BC24D10_hR123_160_c_a_4b2c_a3b:Dy-Mg-O-Sb,41.0,"Invalid WP multiplicities - A6BC24D10_hR123_160_c_a_8b5c_a5b:Dy-Mg-O-Sb, expected Dy6Mg(Sb8O27)2 to be Dy6Mg(Sb5O12)2" +mp-1234592,Dy6Mg(Sb5O12)2,-7.1560024527,-2.5401111707,0.1353812484,0.1353812484,GGA,I-43m,A6BC24D10_cI82_217_d_a_2g_ce:Dy-Mg-O-Sb,41.0,"Invalid WP multiplicities - A6BC24D10_cI82_217_d_a_5g_2c2e:Dy-Mg-O-Sb, expected Dy6Mg(SbO3)20 to be Dy6Mg(Sb5O12)2" +mp-1218432,Sr3Sm(FeO4)2,-7.4310773914,-2.6953189196,0.0160138978,0.0160138978,GGA+U,Amm2,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Fe-O-Sm-Sr,14.0,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Fe-O-Sm-Sr +mp-1518753,Sr2SmFeO6,-7.249252849,-2.6244801971,0.1086362491,0.1086362491,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sm-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sm-Sr +mp-1521076,SrSm(FeO3)4,-7.1983683994,-1.6623445681,0.2089762473,0.2089762473,GGA+U,P4/mmm,A4B12CD_tP18_123_i_efr_a_d:Fe-O-Sm-Sr,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_i_2e2fr_a_d:Fe-O-Sm-Sr, expected SrSm(FeO4)4 to be SrSm(FeO3)4" +mp-1219455,Sm4ZrFe33,-8.0674454774,0.0097320253,0.0318912429,0.0318912429,GGA,Cm,A33B4C_mC76_8_9a12b_4a_a:Fe-Sm-Zr,38.0,"Invalid WP multiplicities - A33B4C_mC76_8_9a23b_4a_a:Fe-Sm-Zr, expected Sm4ZrFe55 to be Sm4ZrFe33" +mp-1219342,Sm2ZrFe16,-7.8377979647,0.2414237332,0.2857421684,0.2857421684,GGA,R3m,A16B2C_hR57_160_a3bc_2a_a:Fe-Sm-Zr,19.0,A16B2C_hR57_160_a3bc_2a_a:Fe-Sm-Zr +mp-1520386,Sr2ZrFeO6,-7.898865144,-2.8911810426,0.0524901238,0.0524901238,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Zr +mp-1518874,SrSmZrFeO6,-8.353070118,-3.0424767484,0.1913113205,0.1913113205,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Fe-O-Sm-Sr-Zr,,AB6CDE_cF40_216_a_f_c_d_b:Fe-O-Sm-Sr-Zr +mp-1517699,BaNaCaMnO6,-6.443995842,-2.0350710747,0.1618076421,0.1618076421,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Mn-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Mn-Na-O +mp-1516498,Ba2NaMnO6,-6.457919045,-2.0576567717,0.1251001528,0.1251001528,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Na-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Na-O +mp-554477,Ba4NaMn2O9,-6.9677581273,-2.4775922499,0.0,-0.0290997935,GGA+U,P321,A4B2CD9_hP48_150_efg_c2d_ad_f4g:Ba-Mn-Na-O,48.0,"Invalid WP multiplicities - A4B2CD9_hP48_150_3e3f3g_c3d_a2d_3f18g:Ba-Mn-Na-O, expected Ba36Na5Mn8O117 to be Ba4NaMn2O9" +mp-1516706,NaSm(FeO3)4,-6.9145685989,-1.3989318876,0.2552540279,0.2552540279,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Fe-Na-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Fe-Na-O-Sm, expected NaSm(FeO4)4 to be NaSm(FeO3)4" +mp-1517805,NaSrSmFeO6,-6.786538357,-2.1984625211,0.1520193011,0.1520193011,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Fe-Na-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Fe-Na-O-Sm-Sr +mp-1519070,NaSrCoBiO6,-5.966073228,-1.6019774341000002,0.2126236525,0.2126236525,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Co-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Co-Na-O-Sr +mp-1521488,NaCo4BiO12,-6.0343176444,-0.8700648590000001,0.3210724703,0.3210724703,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Bi-Co-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Bi-Co-Na-O, expected NaCo4BiO18 to be NaCo4BiO12" +mp-1519628,Sr2CoBiO6,-6.389739518,-1.9889469081,0.1613866716,0.1613866716,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Co-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Co-O-Sr +mp-704097,Sr6Co4Bi2O15,-6.6518272755,-2.1906590966,0.0281404424,0.0281404424,GGA+U,C222,A2B4C15D6_oC216_21_2l_4l_efgh2k12l_6l:Bi-Co-O-Sr,108.0,"Invalid WP multiplicities - A2B4C15D6_oC216_21_8l_14l_2e2f2g2h3k46l_20l:Bi-Co-O-Sr, expected Sr40Co28Bi16O103 to be Sr6Co4Bi2O15" +mp-561336,Li2Mg2Si4O11,-7.4926199061,-3.1171854967,0.01497333,0.01497333,GGA,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Li-Mg-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_4i_3i_22i_8i:Li-Mg-O-Si, expected Li4Mg3(Si4O11)2 to be Li2Mg2Si4O11" +mp-1026841,NaLiMg14,-1.5797703919,0.0224401619,0.0532589099,0.0532589099,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Na, expected NaLiMg18 to be NaLiMg14" +mp-1026839,NaLiMg14,-1.5760061781,0.0262043756,0.0570231237,0.0570231237,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Na, expected NaLiMg26 to be NaLiMg14" +mp-1222909,Li2MgSi5O12,-7.6351039341,-3.0398549107,0.1070694691,0.1070694691,GGA,I4_1/acd,A2BC12D5_tI160_142_e_b_3g_ace:Li-Mg-O-Si,80.0,"Invalid WP multiplicities - A2BC12D5_tI160_142_e_b_11g_2ac2e:Li-Mg-O-Si, expected Li2Mg(Si2O11)4 to be Li2MgSi5O12" +mp-1035536,LiMg14SiO16,-6.3138850031,-2.9112230976,0.1159678533,0.1159678533,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Li-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Li-Mg-O-Si, expected LiMg18SiO20 to be LiMg14SiO16" +mp-1035527,LiMg14SiO16,-6.3037849228,-2.9011230173,0.1260679336,0.1260679336,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Li-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Li-Mg-O-Si, expected LiMg30SiO32 to be LiMg14SiO16" +mp-1040157,LiMg30SiO32,-6.3211794894,-2.9831063463,0.0575092788,0.0575092788,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Li-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Li-Mg-O-Si, expected LiMg90SiO80 to be LiMg30SiO32" +mp-1040138,LiMg30SiO32,-6.3152188584,-2.9771457154,0.0634699098,0.0634699098,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Li-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Li-Mg-O-Si, expected LiMg110SiO72 to be LiMg30SiO32" +mp-1030910,NaLiMg6O7,-5.7333180353,-2.5693214061000003,0.224009012,0.224009012,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_a2b2c:Li-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_a2b4c:Li-Mg-Na-O, expected NaLiMg10O11 to be NaLiMg6O7" +mp-1030924,NaLiMg6O7,-5.6225111827,-2.4585145534,0.3348158647,0.3348158647,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_2ab2c:Li-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_2ab4c:Li-Mg-Na-O, expected NaLiMg10O11 to be NaLiMg6O7" +mp-1030911,NaLiMg6O7,-5.671004858,-2.5070082287,0.2863221893,0.2863221893,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_a2b2c:Li-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_a2b4c:Li-Mg-Na-O, expected NaLiMg10O11 to be NaLiMg6O7" +mp-1031012,NaLiMg6O7,-5.6681056027,-2.5041089734,0.2892214447,0.2892214447,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_2ab2c:Li-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_2ab4c:Li-Mg-Na-O, expected NaLiMg10O11 to be NaLiMg6O7" +mp-1221159,NaMg3(SiO3)4,-7.2956407849,-2.93639568,0.1461341505,0.1461341505,GGA,P2_1,A3BC12D4_mP80_4_6a_2a_24a_8a:Mg-Na-O-Si,80.0,A3BC12D4_mP80_4_6a_2a_24a_8a:Mg-Na-O-Si +mp-1199476,NaMg4(SiO3)6,-7.3001981638,-2.8410274577,0.1808834224,0.1808834224,GGA,C2/c,A4BC18D6_mC116_15_4e_e_9f_3f:Mg-Na-O-Si,58.0,A4BC18D6_mC116_15_4e_e_9f_3f:Mg-Na-O-Si +mp-1035394,NaLiMg14O15,-6.0399317819,-2.8194253455,0.1084650113,0.1084650113,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Li-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Li-Mg-Na-O +mp-1035403,NaLiMg14O15,-6.03275402,-2.8122475836,0.1156427732,0.1156427732,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Li-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Li-Mg-Na-O +mp-1035418,NaLiMg14O15,-6.0438268281,-2.8233203916000003,0.1045699652,0.1045699652,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Li-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Li-Mg-Na-O +mp-1035393,NaLiMg14O15,-6.0495230635,-2.8290166271,0.0988737297,0.0988737297,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Li-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Li-Mg-Na-O +mp-1221511,Na2Mg5(Si2O5)6,-7.7581262954,-3.1836175498,0.0029324892,0.0029324892,GGA,P-62c,A5B2C30D12_hP98_190_fg_ac_2h4i_2i:Mg-Na-O-Si,98.0,A5B2C30D12_hP98_190_fg_ac_2h4i_2i:Mg-Na-O-Si +mp-1040127,NaLiMg30O31,-6.1924028065,-2.9449869381,0.04697958,0.04697958,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:Li-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2a2bc2d2e2f4g4h2i:Li-Mg-Na-O, expected NaLiMg38O39 to be NaLiMg30O31" +mp-1040115,NaLiMg30O31,-6.1927840551,-2.9453681867,0.0465983314,0.0465983314,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_2ab2c2d2e2f2g2h2i:Li-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_2ab2c2d4e4f2g2h2i:Li-Mg-Na-O, expected NaLiMg38O39 to be NaLiMg30O31" +mp-1040085,NaLiMg30O31,-6.1959163192,-2.9485004508,0.0434660673,0.0434660673,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_a2b2c2d2e2f2g2h2i:Li-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_a2b2c2d4e4f2g2h2i:Li-Mg-Na-O, expected NaLiMg38O39 to be NaLiMg30O31" +mp-1040107,NaLiMg30O31,-6.1944499133,-2.9470340449,0.0449324732,0.0449324732,GGA,P4mm,AB30CD31_tP63_99_a_ab2c2d2e2f_b_a2b2c2d2e2f:Li-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_tP63_99_a_ab2c2d6e6f_b_a2b2c2d6e6f:Li-Mg-Na-O, expected NaLiMg62O63 to be NaLiMg30O31" +mp-1030909,LiMg6SiO8,-6.2984594025,-2.7666199721,0.2337216303,0.2337216303,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Li-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Li-Mg-O-Si, expected LiMg6SiO12 to be LiMg6SiO8" +mp-1030903,LiMg6SiO8,-6.2981504081,-2.7663109777,0.2340306247,0.2340306247,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Li-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Li-Mg-O-Si, expected LiMg6SiO12 to be LiMg6SiO8" +mp-1031074,NaMg6SiO8,-6.181475545,-2.6862859629,0.2769421012,0.2769421012,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Na-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Na-O-Si, expected NaMg6SiO12 to be NaMg6SiO8" +mp-1030808,NaMg6SiO8,-6.1692913088,-2.6741017267,0.2891263375,0.2891263375,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Na-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Na-O-Si, expected NaMg6SiO12 to be NaMg6SiO8" +mp-11189,Li2MgSiO4,-6.7852061794,-2.9564313471,0.0,-0.0302729725,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Mg-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_2e_e_8e_e:Li-Mg-O-Si, expected Li2MgSiO8 to be Li2MgSiO4" +mp-1222742,Li2MgSiO4,-6.7823027534,-2.9535279211,0.0029034259,-0.0273695466,GGA,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Mg-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_2a_a_6a_a:Li-Mg-O-Si, expected Li2MgSiO6 to be Li2MgSiO4" +mp-560603,Na2MgSi5O12,-7.5910817612,-3.0544724952,0.0439106354,0.0439106354,GGA,P2/c,AB2C12D5_mP40_13_e_ef_6g_f2g:Mg-Na-O-Si,40.0,"Invalid WP multiplicities - AB2C12D5_mP40_13_e_ef_21g_2f7g:Mg-Na-O-Si, expected Na2Mg(Si8O21)2 to be Na2MgSi5O12" +mp-1221383,Na2MgSi5O12,-7.5199168609,-2.9833075948000003,0.1150755358,0.1150755358,GGA,I4_1/acd,AB2C12D5_tI160_142_b_e_3g_ace:Mg-Na-O-Si,80.0,"Invalid WP multiplicities - AB2C12D5_tI160_142_b_e_22g_2ac2e:Mg-Na-O-Si, expected Na2Mg(SiO11)8 to be Na2MgSi5O12" +mp-1034646,NaMg14SiO16,-6.2593072262,-2.8749702449,0.1336639369,0.1336639369,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Na-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Na-O-Si, expected NaMg18SiO20 to be NaMg14SiO16" +mp-1034659,NaMg14SiO16,-6.2459208375,-2.8615838561,0.1470503256,0.1470503256,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Na-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Na-O-Si, expected NaMg30SiO32 to be NaMg14SiO16" +mp-1021281,NaLiMg6,-1.5604783719,0.0436626856,0.0785493333,0.0785493333,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Na, expected NaLiMg12 to be NaLiMg6" +mp-1021282,NaLiMg6,-1.563284955,0.0408561025,0.0757427502,0.0757427502,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Na, expected NaLiMg12 to be NaLiMg6" +mp-1039959,NaMg30SiO32,-6.2896480444,-2.9607373634,0.0705998772,0.0705998772,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Na-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Na-O-Si, expected NaMg110SiO72 to be NaMg30SiO32" +mp-1039915,NaMg30SiO32,-6.29688694,-2.9679762590000003,0.0633609816,0.0633609816,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Na-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Na-O-Si, expected NaMg90SiO80 to be NaMg30SiO32" +mp-12187,Na2Mg2(Si2O5)3,-7.6313737882,-3.1274598068,0.0,-0.0030487929,GGA,Cmce,A2B2C15D6_oC200_64_de_ef_3f6g_3g:Mg-Na-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_de_ef_3f10g_3g:Mg-Na-O-Si, expected Na2Mg2Si6O23 to be Na2Mg2(Si2O5)3" +mp-6406,Na2MgSiO4,-6.4901526331,-2.8079771941,0.0,-0.0195567,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Mg-Na-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_4a_5a_a:Mg-Na-O-Si, expected Na4MgSiO5 to be Na2MgSiO4" +mp-6426,Na2MgSiO4,-6.4879107731,-2.8057353341,0.00224186,-0.01731484,GGA,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Mg-Na-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_4a_5a_a:Mg-Na-O-Si, expected Na4MgSiO5 to be Na2MgSiO4" +mp-695366,Na3LiMg4(Si2O5)6,-6.9597194503,-2.4440775174,0.6927094401,0.6927094401,GGA,Ccc2,AB4C3D30E12_oC200_37_c_acd_bd_15d_6d:Li-Mg-Na-O-Si,100.0,"Invalid WP multiplicities - AB4C3D30E12_oC200_37_c_2a2c2d_2bd_60d_23d:Li-Mg-Na-O-Si, expected Na4LiMg8(Si23O60)2 to be Na3LiMg4(Si2O5)6" +mp-1221336,Na3LiMg4(Si2O5)6,-7.6477869061,-3.1321449732,0.0046419843,0.0046419843,GGA,Ccc2,AB4C3D30E12_oC200_37_c_acd_bd_15d_6d:Li-Mg-Na-O-Si,100.0,"Invalid WP multiplicities - AB4C3D30E12_oC200_37_c_2a2cd_bd_57d_23d:Li-Mg-Na-O-Si, expected Na3LiMg6(Si23O57)2 to be Na3LiMg4(Si2O5)6" +mp-1190900,BaZn2Si2O7,-7.0124844888,-2.8528245555,0.0039527967,-0.0035164245,GGA,Cmc2_1,AB7C2D2_oC48_36_a_a3b_b_b:Ba-O-Si-Zn,24.0,AB7C2D2_oC48_36_a_a3b_b_b:Ba-O-Si-Zn +mp-560441,BaZn2Si2O7,-7.0164372854,-2.8567773522,0.0,-0.0074692212,GGA,Cmcm,AB7C2D2_oC48_63_c_cgh_g_e:Ba-O-Si-Zn,24.0,"Invalid WP multiplicities - AB7C2D2_oC48_63_c_2c4g4h_g_e:Ba-O-Si-Zn, expected BaZn2(SiO13)2 to be BaZn2Si2O7" +mp-1070267,Ba(ZnSi)2,-3.326986788,-0.269167144,0.0,-0.0351237536,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Si-Zn,5.0,AB2C2_tI10_139_a_e_d:Ba-Si-Zn +mp-31147,BaZnSi,-3.2195780617,-0.3515658683,0.0,-0.040149633,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Si-Zn,6.0,ABC_hP6_194_a_c_d:Ba-Si-Zn +mp-1046656,ZnCoSiO5,-6.7701079706,-1.9542550967,0.146272228,0.146272228,GGA+U,P-1,AB5CD_aP16_2_ab_5i_i_i:Co-O-Si-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Co-O-Si-Zn, expected ZnCoSiO9 to be ZnCoSiO5" +mp-562027,BaCoSiO4,-7.6830478133,-2.791709869,0.0166379233,0.0166379233,GGA+U,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Ba-Co-O-Si,42.0,ABC4D_hP42_173_a2b_c_4c_c:Ba-Co-O-Si +mp-1264233,ZnCo(SiO3)2,-7.4467317143,-2.556848741,0.0283001901,0.0283001901,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Co-O-Si-Zn,40.0,AB6C2D_mC40_15_e_3f_f_e:Co-O-Si-Zn +mp-1041850,ZnCo(SiO3)2,-7.4284694563,-2.538586483,0.0465624481,0.0465624481,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Co-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Co-O-Si-Zn, expected ZnCoSi8O41 to be ZnCo(SiO3)2" +mp-1120751,Ba6ZnCo5(SiO4)6,-7.5689299393,-2.8168437613,0.015704879,0.015704879,GGA+U,P1,A6B5C24D6E_aP42_1_6a_5a_24a_6a_a:Ba-Co-O-Si-Zn,42.0,A6B5C24D6E_aP42_1_6a_5a_24a_6a_a:Ba-Co-O-Si-Zn +mp-1327416,Zn3Co2(SiO4)3,-6.883782277,-2.2021780248,0.1517200729,0.1517200729,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Co-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Co-O-Si-Zn +mp-561305,BaZnSiO4,-6.9985816812,-2.9427543348,0.0105557877,0.0105557877,GGA,P6_3,AB4CD_hP42_173_a2b_4c_c_c:Ba-O-Si-Zn,42.0,"Invalid WP multiplicities - AB4CD_hP42_173_2a3b_22c_c_c:Ba-O-Si-Zn, expected Ba5Zn3(SiO22)3 to be BaZnSiO4" +mp-562216,Ba2CoSi2O7,-7.7628257512,-3.0608486918,0.0013876067,-0.009365414,GGA+U,C2/c,A2BC7D2_mC48_15_f_e_e3f_f:Ba-Co-O-Si,48.0,A2BC7D2_mC48_15_f_e_e3f_f:Ba-Co-O-Si +mp-510015,Ba2CoSi2O7,-7.7642133579,-3.0622362984,0.0,-0.0107530206,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ba-Co-O-Si,24.0,A2BC7D2_tP24_113_e_a_cef_e:Ba-Co-O-Si +mp-19203,BaCo2Si2O7,-7.8181735971,-2.6837512997,0.0,-0.0133323827,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Co-O-Si,48.0,"Invalid WP multiplicities - AB2C7D2_mC96_15_f_3e3f_7f_2f:Ba-Co-O-Si, expected Ba2Co9(Si2O7)2 to be BaCo2Si2O7" +mp-558629,Ba2ZnSi2O7,-7.3615351438,-3.1469392664,0.0,-0.0110362379,GGA,C2/c,A2B7C2D_mC48_15_f_e3f_f_e:Ba-O-Si-Zn,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_15_f_2e11f_f_e:Ba-O-Si-Zn, expected Ba2Zn(SiO12)2 to be Ba2ZnSi2O7" +mp-1043509,ZnCo(Si2O5)2,-7.7221941667,-2.7511803769,0.0900497385,0.0900497385,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Co-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Co-O-Si-Zn, expected ZnCo(Si2O11)2 to be ZnCo(Si2O5)2" +mp-1262752,Zn3Co2(Si2O7)2,-7.0772987559,-2.3403082995,0.1328246666,0.1328246666,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Co-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Co-O-Si-Zn, expected Zn3CoSi5O27 to be Zn3Co2(Si2O7)2" +mp-1099792,Ba3Sr5Ti8O20,-8.1356127303,-3.2383321068,0.0784926471,0.0784926471,GGA,P1,A3B20C5D8_aP144_1_12a_80a_20a_32a:Ba-O-Sr-Ti,144.0,A3B20C5D8_aP144_1_12a_80a_20a_32a:Ba-O-Sr-Ti +mp-1521222,BaSrZr4O12,-8.4892884667,-3.0915364973,0.2126012776,0.2126012776,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ba-O-Sr-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ba-O-Sr-Zr, expected BaSrZr4O18 to be BaSrZr4O12" +mp-1227688,BaSr3Ti4O12,-8.4307942395,-3.5343098444,0.003699693,0.003699693,GGA,P4/mmm,AB12C3D4_tP20_123_c_abg2i_dh_2g:Ba-O-Sr-Ti,20.0,"Invalid WP multiplicities - AB12C3D4_tP20_123_c_ab2g6i_d2h_3g:Ba-O-Sr-Ti, expected BaSr5Ti6O30 to be BaSr3Ti4O12" +mp-1227775,BaSr3Zr4O12,-8.6747738705,-3.6478477528,0.0093921826,0.0093921826,GGA,Pm,AB12C3D4_mP20_6_a_2a2b4c_a2b_2c:Ba-O-Sr-Zr,20.0,"Invalid WP multiplicities - AB12C3D4_mP20_6_a_2a2b8c_a2b_4c:Ba-O-Sr-Zr, expected BaSr3Zr8O20 to be BaSr3Zr4O12" +mp-1521140,BaSrZr2O6,-8.662091154,-3.6236909619,0.0277797768,0.0277797768,GGA,Cmmm,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sr-Zr,10.0,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sr-Zr +mp-1521172,BaSrZr2O6,-8.661697,-3.6232968079,0.0281739308,0.0281739308,GGA,P4/mmm,AB6CD2_tP10_123_c_abi_d_g:Ba-O-Sr-Zr,10.0,"Invalid WP multiplicities - AB6CD2_tP10_123_c_ab2i_d_g:Ba-O-Sr-Zr, expected BaSrZr2O10 to be BaSrZr2O6" +mp-1227710,BaSr4Ti5O15,-8.4295960716,-3.5354064914,0.0056036576,0.0056036576,GGA,P4/mmm,AB15C4D5_tP25_123_c_ae2g2i_2h_b2g:Ba-O-Sr-Ti,25.0,"Invalid WP multiplicities - AB15C4D5_tP25_123_c_a2e3g7i_3h_b4g:Ba-O-Sr-Ti, expected BaSr6Ti9O39 to be BaSr4Ti5O15" +mp-1099778,BaSr7Ti8O24,-8.4321755295,-3.5414281716,0.0040828947,0.0040828947,GGA,Pm-3m,AB24C7D8_cP40_221_a_ij_bcd_g:Ba-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB24C7D8_cP40_221_a_6i6j_b3c3d_g:Ba-O-Sr-Ti, expected BaSr19Ti8O144 to be BaSr7Ti8O24" +mp-1520689,BaSrTi4O12,-8.2231426683,-2.9703259464,0.1728255196,0.1728255196,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sr-Ti, expected BaSrTi4O16 to be BaSrTi4O12" +mp-1075943,Ba3Sr5Ti8O24,-8.4249312225,-3.5227097902,0.0077982182,0.0077982182,GGA,P4/mmm,A3B24C5D8_tP40_123_af_jkst_bcde_r:Ba-O-Sr-Ti,40.0,"Invalid WP multiplicities - A3B24C5D8_tP40_123_a2f_2j2k5s5t_bcd2e_r:Ba-O-Sr-Ti, expected Ba5Sr7Ti8O96 to be Ba3Sr5Ti8O24" +mp-1078457,Ba2ZrTiO6,-8.557808588,-3.5616811086,0.004785246,0.004785246,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ti-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ti-Zr +mp-1228038,Ba4Zr3TiO12,-8.6167994515,-3.5880615414,0.0151378085,0.0151378085,GGA,P4/mmm,A4B12CD3_tP20_123_2h_ef2gi_a_bg:Ba-O-Ti-Zr,20.0,"Invalid WP multiplicities - A4B12CD3_tP20_123_2h_2e2f2g4i_a_b2g:Ba-O-Ti-Zr, expected Ba4Zr5TiO28 to be Ba4Zr3TiO12" +mp-1228362,Ba2SrTi3O9,-8.42135117,-3.5057433177,0.0072611233,0.0072611233,GGA,Cmm2,A2B9CD3_oC30_35_d_acdf_b_ad:Ba-O-Sr-Ti,15.0,"Invalid WP multiplicities - A2B9CD3_oC30_35_d_a2cd3f_b_ad:Ba-O-Sr-Ti, expected Ba2SrTi3O19 to be Ba2SrTi3O9" +mp-1099682,BaSr7Ti8O20,-8.141865218,-3.257333566,0.0696095295,0.0696095295,GGA,P1,AB20C7D8_aP144_1_4a_80a_28a_32a:Ba-O-Sr-Ti,144.0,AB20C7D8_aP144_1_4a_80a_28a_32a:Ba-O-Sr-Ti +mp-1227746,BaSr3Zr2Ti2O12,-8.5253204495,-3.5636151931,0.0386264739,0.0386264739,GGA,R3m,AB12C3D2E2_hR60_160_a_4b_3a_2a_2a:Ba-O-Sr-Ti-Zr,20.0,"Invalid WP multiplicities - AB12C3D2E2_hR60_160_a_12b_3a_2a_2a:Ba-O-Sr-Ti-Zr, expected BaSr3Zr2Ti2O36 to be BaSr3Zr2Ti2O12" +mp-1222633,Mg4FeClO13,-5.1394725553,-0.8749130123000001,0.7451057484,0.7451057484,GGA+U,C2,ABC4D13_mC38_5_a_b_4b_3a5c:Cl-Fe-Mg-O,19.0,"Invalid WP multiplicities - ABC4D13_mC38_5_a_b_4b_3a10c:Cl-Fe-Mg-O, expected Mg4FeClO23 to be Mg4FeClO13" +mp-1042940,Mg3Fe4(MoO4)6,-8.0753197273,-2.0624723024,0.0644924125,0.0644924125,GGA+U,P-1,A4B3C6D24_aP37_2_2i_ai_3i_12i:Fe-Mg-Mo-O,37.0,"Invalid WP multiplicities - A4B3C6D24_aP37_2_2i_ai_5i_13i:Fe-Mg-Mo-O, expected Mg3Fe4(Mo5O13)2 to be Mg3Fe4(MoO4)6" +mp-25247,FeMoClO4,-7.5966250757,-1.7464875293,0.0180713447,0.0180713447,GGA+U,P2_1/m,ABCD4_mP14_11_e_e_e_2ef:Cl-Fe-Mo-O,14.0,ABCD4_mP14_11_e_e_e_2ef:Cl-Fe-Mo-O +mp-1272202,FeMoClO4,-7.5888232986,-1.7386857521,0.0258731218,0.0258731218,GGA+U,P4mm,ABCD4_tP14_99_ab_ab_c_ef:Cl-Fe-Mo-O,14.0,ABCD4_tP14_99_ab_ab_c_ef:Cl-Fe-Mo-O +mp-23123,FeMoClO4,-7.5972265943,-1.7470890479,0.0174698261,0.0174698261,GGA+U,P4/nmm,ABCD4_tP14_129_c_c_a_i:Cl-Fe-Mo-O,14.0,ABCD4_tP14_129_c_c_a_i:Cl-Fe-Mo-O +mp-2219271,MgMo2(Cl4O)2,-5.2999414454,-1.6096913706,0.0673695033,0.0673695033,GGA+U,P1,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-Mo-O,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-Mo-O +mp-2218944,MgMo2(Cl4O)2,-5.2404890508,-1.5502389760000002,0.1268218979,0.1268218979,GGA+U,P1,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-Mo-O,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:Cl-Mg-Mo-O +mp-2219404,MgMo2(Cl4O)2,-5.2959370746,-1.6056869998,0.071373874,0.071373874,GGA+U,P-1,A8BC2D2_aP13_2_4i_a_i_i:Cl-Mg-Mo-O,13.0,A8BC2D2_aP13_2_4i_a_i_i:Cl-Mg-Mo-O +mp-2226689,MgFe2(ClO)2,-6.0642541714,-1.4741437125,0.3437382771,0.3437382771,GGA+U,Pmm2,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Mg-O,7.0,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Mg-O +mp-2227175,MgFe2(ClO)2,-6.2287396271,-1.6386291682,0.1792528214,0.1792528214,GGA+U,Pmm2,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Mg-O,7.0,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Mg-O +mp-2242040,MgFe2(ClO)2,-6.2491618843,-1.6590514254,0.1588305643,0.1588305643,GGA+U,Pmm2,A2B2CD2_oP7_25_ad_bc_a_ad:Cl-Fe-Mg-O,7.0,A2B2CD2_oP7_25_ad_bc_a_ad:Cl-Fe-Mg-O +mp-2227032,MgFe2Mo2(ClO4)2,-7.3875191413,-1.820705428,0.1489458533,0.1459610198,GGA+U,P1,A2B2CD2E8_aP15_1_2a_2a_a_2a_8a:Cl-Fe-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mP15_3_ac_ac_b_bd_7e:Cl-Fe-Mg-Mo-O, expected MgFe2Mo2(ClO7)2 to be MgFe2Mo2(ClO4)2" +mp-2227666,MgFe2Mo2(ClO4)2,-7.3875938447,-1.8207801313,0.14887115,0.1458863165,GGA+U,P2,A2B2CD2E8_mP15_3_bc_bc_a_ad_4e:Cl-Fe-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mP15_3_ac_ac_b_bd_6e:Cl-Fe-Mg-Mo-O, expected MgFe2Mo2(ClO6)2 to be MgFe2Mo2(ClO4)2" +mp-2226849,MgFe2Mo2(ClO4)2,-7.4404693233,-1.87365561,0.0959956713,0.0930108378,GGA+U,Pm,A2B2CD2E8_mP15_6_ab_ab_a_ab_2a2b2c:Cl-Fe-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mP15_6_ab_ab_a_ab_2a2b3c:Cl-Fe-Mg-Mo-O, expected MgFe2Mo2(ClO5)2 to be MgFe2Mo2(ClO4)2" +mp-2226919,MgFe2Mo2(ClO4)2,-7.4200311533,-1.85321744,0.1164338413,0.1134490078,GGA+U,Cm,A2B2CD2E8_mC30_8_2a_2a_a_b_4b:Cl-Fe-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_8_2a_2a_a_b_6b:Cl-Fe-Mg-Mo-O, expected MgFe2Mo2(ClO6)2 to be MgFe2Mo2(ClO4)2" +mp-2226692,MgFe2Mo2(ClO4)2,-7.5364649947,-1.9696512813,0.0,-0.0029848335,GGA+U,C2/m,A2B2CD2E8_mC30_12_i_i_a_h_2j:Cl-Fe-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_12_i_i_a_h_6j:Cl-Fe-Mg-Mo-O, expected MgFe2Mo2(ClO12)2 to be MgFe2Mo2(ClO4)2" +mp-1022733,Ba2NbFeO6,-8.0871159007,-2.8781750609000003,0.0181420358,-0.0272367872,GGA+U,P-3m1,A2BCD6_hP30_164_c2d_ad_bd_3i:Ba-Fe-Nb-O,30.0,A2BCD6_hP30_164_c2d_ad_bd_3i:Ba-Fe-Nb-O +mp-1022808,Ba2NbFeO6,-8.082959452,-2.8740186122,0.0222984845,-0.0230803385,GGA+U,P6_3/mmc,A2BCD6_hP40_194_acf_e_f_ghk:Ba-Fe-Nb-O,40.0,A2BCD6_hP40_194_acf_e_f_ghk:Ba-Fe-Nb-O +mp-1021504,Ba2NbFeO6,-8.1052579365,-2.8963170967,0.0,-0.045378823,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Fe-Nb-O,20.0,A2BCD6_cF40_225_c_a_b_e:Ba-Fe-Nb-O +mp-1096853,Ba2NbFeO6,-5.159803392,0.0491374478,2.9454545445,2.9000757215,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Ba-Fe-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_d:Ba-Fe-Nb-O +mp-1021950,BaNb2(FeO3)4,-8.3860236974,-2.3143429397,0.1034674033,0.1034674033,GGA+U,I4/m,AB4C2D12_tI76_87_e_i_h_2h2i:Ba-Fe-Nb-O,38.0,AB4C2D12_tI76_87_e_i_h_2h2i:Ba-Fe-Nb-O +mp-1214455,BaFe2Si2O7,-8.12330332,-2.7619304534,0.0,-0.0003910258,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Ba-Fe-O-Si,48.0,AB2C7D2_mP48_14_e_2e_7e_2e:Ba-Fe-O-Si +mp-1096881,BaNb4(FeO7)2,-8.83322077,-2.7133217473,0.0865246011,0.0865246011,GGA+U,P-1,AB2C4D14_aP21_2_a_i_2i_7i:Ba-Fe-Nb-O,42.0,AB2C4D14_aP21_2_a_i_2i_7i:Ba-Fe-Nb-O +mp-1096871,BaNb4(FeO7)2,-8.7634946707,-2.643595648,0.1562507004,0.1562507004,GGA+U,C2/c,AB2C4D14_mC84_15_c_ae_2f_7f:Ba-Fe-Nb-O,42.0,AB2C4D14_mC84_15_a_ce_2f_7f:Ba-Fe-Nb-O +mp-1022809,Ba4NbFeO8,-7.606661243,-2.9051801216,0.0,-0.0294453798,GGA+U,P2_1/c,A4BCD8_mP56_14_4e_e_e_8e:Ba-Fe-Nb-O,56.0,A4BCD8_mP56_14_4e_e_e_8e:Ba-Fe-Nb-O +mp-504885,BaFe(Si2O5)2,-8.1987711334,-3.101448922,0.0022169425,0.0020243278,GGA+U,P2_12_12,ABC10D4_oP32_18_a_b_5c_2c:Ba-Fe-O-Si,32.0,ABC10D4_oP32_18_a_b_5c_2c:Ba-Fe-O-Si +mp-603241,BaFe(Si2O5)2,-8.1902115409,-3.0928893295,0.010776535,0.0105839203,GGA+U,P4/nmm,ABC10D4_tP32_129_a_c_eij_j:Ba-Fe-O-Si,64.0,ABC10D4_tP32_129_a_c_eij_j:Ba-Fe-O-Si +mp-19165,BaFe(Si2O5)2,-8.2009880759,-3.1036658645,0.0,-0.0001926147,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ba-Fe-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ba-Fe-O-Si, expected BaFe(Si2O11)2 to be BaFe(Si2O5)2" +mp-31758,Ba3NbFe3(SiO7)2,-8.0875071278,-2.8104388014,0.0050417044,0.0050417044,GGA+U,P321,A3B3CD14E2_hP23_150_e_f_a_d2g_d:Ba-Fe-Nb-O-Si,23.0,"Invalid WP multiplicities - A3B3CD14E2_hP23_150_e_f_a_2d7g_d:Ba-Fe-Nb-O-Si, expected Ba3NbFe3(SiO23)2 to be Ba3NbFe3(SiO7)2" +mp-1096902,BaNb2Fe2O9,-8.5420052975,-2.5718748803,0.0994910391,0.0994910391,GGA+U,Cmc2_1,AB2C2D9_oC56_36_a_b_b_a4b:Ba-Fe-Nb-O,28.0,AB2C2D9_oC56_36_a_b_b_a4b:Ba-Fe-Nb-O +mp-1022731,BaNb2Fe2O9,-8.5474962279,-2.5773658106,0.0940001087,0.0940001087,GGA+U,Fmm2,AB2C2D9_oF56_42_a_c_c_abce:Ba-Fe-Nb-O,14.0,AB2C2D9_oF56_42_a_c_c_abce:Ba-Fe-Nb-O +mp-1521009,NaCeZrNbO6,-8.708897221,-3.1504219824,0.1918491563,0.1918491563,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ce-Na-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ce-Na-Nb-O-Zr +mp-1100785,SrEuIn2,-4.792229135,-0.4297634567,0.0,-0.0101882951,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Eu-In-Sr,4.0,AB2C_cF16_225_a_c_b:Eu-In-Sr +mp-1518266,Sr2InBiO6,-6.2743417555,-2.3092125521,0.0027959373,0.0027959373,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-In-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-In-O-Sr +mp-1518215,Sr2InBiO6,-6.206222825,-2.2410936216,0.0709148678,0.0709148678,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-In-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-In-O-Sr +mp-1518284,SrEuInBiO6,-7.215502441,-2.3936224029,0.0380658949,0.0380658949,GGA,P-1,ABCD6E_aP20_2_ah_i_be_6i_i:Bi-Eu-In-O-Sr,,"Invalid WP multiplicities - ABCD6E_aP20_2_ah_i_be_12i_i:Bi-Eu-In-O-Sr, expected SrEuInBiO12 to be SrEuInBiO6" +mp-1518471,SrEuInBiO6,-7.063566,-2.2416859619,0.1900023359,0.1900023359,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-In-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-In-O-Sr +mp-640825,Sr5(InBi3)2,-3.5311194069000003,-0.6854448295000001,0.0,-0.0092128933,GGA,Pbam,A6B2C5_oP26_55_g2h_h_a2g:Bi-In-Sr,26.0,"Invalid WP multiplicities - A6B2C5_oP26_55_3g5h_h_2a7g:Bi-In-Sr, expected Sr8InBi8 to be Sr5(InBi3)2" +mp-39995,SrNbFeO6,-7.8499677933,-2.3009731299,0.1911413918,0.1911413918,GGA+U,I-4,ABC6D_tI18_82_a_b_eg_c:Fe-Nb-O-Sr,9.0,"Invalid WP multiplicities - ABC6D_tI18_82_a_b_2e2g_c:Fe-Nb-O-Sr, expected SrNbFeO12 to be SrNbFeO6" +mp-772076,Sr4Li4Nb5FeO20,-8.04917532,-2.9814110284,0.0233457516,0.0233457516,GGA+U,C2/m,AB4C5D20E4_mC68_12_a_j_dgh_2g2h2i2j_gh:Fe-Li-Nb-O-Sr,34.0,"Invalid WP multiplicities - AB4C5D20E4_mC68_12_a_j_cgh_4g4h4i8j_gh:Fe-Li-Nb-O-Sr, expected Sr4Li4Nb5FeO56 to be Sr4Li4Nb5FeO20" +mp-1218744,Sr2NbFeO6,-8.05966247,-2.8966179276,0.028689801,-0.0028570759,GGA+U,P4/mmm,ABC6D2_tP10_123_a_c_bdj_e:Fe-Nb-O-Sr,10.0,ABC6D2_tP10_123_a_c_bdj_e:Fe-Nb-O-Sr +mp-1218741,Sr2NbFeO6,-8.088352271,-2.9253077286,0.0,-0.0315468769,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Fe-Nb-O-Sr,20.0,ABC6D2_cF40_225_a_b_e_c:Fe-Nb-O-Sr +mp-1028242,YMg14Fe,-2.2385866875,0.0951891265,0.1346148868,0.1346148868,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-Y, expected YMg18Fe to be YMg14Fe" +mp-1028094,YMg14Fe,-2.2454913581,0.0882844558,0.1277102162,0.1277102162,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-Y, expected YMg26Fe to be YMg14Fe" +mp-1028048,YMg14Si,-2.1559031963,-0.012421331,0.1139999261,0.1139999261,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Y, expected YMg18Si to be YMg14Si" +mp-1028034,YMg14Si,-2.1179254456,0.0255564196,0.1519776767,0.1519776767,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Y, expected YMg26Si to be YMg14Si" +mp-31080,YAlSi,-5.820156625,-0.6077016339,0.0,-0.0005865517,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Si-Y,6.0,ABC_oC12_63_a_c_c:Al-Si-Y +mp-1200402,Y5Mg5Al12(Fe2Si3)2,-5.1042754044,-0.363254817,0.0917266299,0.0917266299,GGA,P4/mmm,A12B4C5D6E5_tP32_123_jp_m_ck_el_bo:Al-Fe-Mg-Si-Y,32.0,A12B4C5D6E5_tP32_123_jp_m_ck_el_bo:Al-Fe-Mg-Si-Y +mp-10527,Y2AlSi2,-6.214686758,-0.7088559347000001,0.0,-0.017582383,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Si-Y,5.0,AB2C2_oI10_71_a_f_h:Al-Si-Y +mp-9177,Y2Al3Si2,-5.53734387,-0.5344430448,0.0,-0.01355593,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Si-Y,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Si-Y, expected Y2Al5Si2 to be Y2Al3Si2" +mp-1205496,Y2MgSi2,-5.781067395,-0.7042957277,0.0,-0.0470300496,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Mg-Si-Y,10.0,AB2C2_tP10_127_a_g_h:Mg-Si-Y +mp-10435,Y(AlSi)2,-5.312653004,-0.3510012373,0.023108894,0.023108894,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Si-Y,5.0,A2B2C_hP5_164_d_d_a:Al-Si-Y +mp-1207790,Y12Al7Si,-5.8743698223,-0.4122697122,0.0,-0.0073534323,GGA,I4/mcm,A7BC12_tI80_140_chl_a_ghm:Al-Si-Y,40.0,A7BC12_tI80_140_chl_a_ghm:Al-Si-Y +mp-1022917,YMg6Fe,-2.92589835,0.1413732279,0.1958943387,0.1958943387,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-Y, expected YMg12Fe to be YMg6Fe" +mp-1022967,YMg6Fe,-2.9120694588,0.1552021192,0.2097232299,0.2097232299,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-Y, expected YMg12Fe to be YMg6Fe" +mp-1022635,YMg6Si,-2.6931908812,-0.0065072008,0.2269278472,0.2269278472,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-Y, expected YMg12Si to be YMg6Si" +mp-1022831,YMg6Si,-2.7125297512,-0.0258460708,0.2075889772,0.2075889772,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Y, expected YMg12Si to be YMg6Si" +mp-19224,Ca3MnZnO6,-6.8601576918,-2.6675494364,0.0134573452,0.0134573452,GGA+U,R-3c,A3BC6D_hR66_167_e_b_f_a:Ca-Mn-O-Zn,22.0,A3BC6D_hR66_167_e_b_f_a:Ca-Mn-O-Zn +mp-768238,Li3LaNiO4,-6.3242320814,-2.2987135003,0.0794874028,0.0794874028,GGA+U,P-1,AB3CD4_aP36_2_2i_6i_2i_8i:La-Li-Ni-O,36.0,"Invalid WP multiplicities - AB3CD4_aP36_2_3i_11i_3i_15i:La-Li-Ni-O, expected Li11La3(NiO5)3 to be Li3LaNiO4" +mp-776434,Li3LaNiO4,-6.3190319,-2.2935133189,0.0846875842,0.0846875842,GGA+U,I4_1/a,AB3CD4_tI144_88_f_3f_f_4f:La-Li-Ni-O,72.0,"Invalid WP multiplicities - AB3CD4_tI144_88_f_14f_f_21f:La-Li-Ni-O, expected Li14LaNiO21 to be Li3LaNiO4" +mp-6521,LiLaTiO4,-8.3849214407,-3.4524676074,0.028770968,0.028770968,GGA,P4/nmm,ABC4D_tP14_129_c_a_2cf_c:La-Li-O-Ti,14.0,ABC4D_tP14_129_c_a_2cf_c:La-Li-O-Ti +mp-9406,Li2La2Ti3O10,-8.5896701759,-3.4812452873,0.0204343316,0.0204343316,GGA,I4/mmm,A2B2C10D3_tI34_139_e_d_c2eg_ae:La-Li-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_d_2c2e3g_ae:La-Li-O-Ti, expected Li2La2Ti3O20 to be Li2La2Ti3O10" +mp-1305999,Li3Ti(NiO2)4,-6.6973158356,-1.9275460215,0.022602839,0.022602839,GGA+U,P-1,A3B4C8D_aP16_2_acd_befg_4i_h:Li-Ni-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_aP16_2_acd_befg_5i_h:Li-Ni-O-Ti, expected Li3Ti(Ni2O5)2 to be Li3Ti(NiO2)4" +mp-756694,Li3Ti(NiO2)4,-6.6961329025000005,-1.9263630883,0.0237857721,0.0237857721,GGA+U,C2/m,A3B4C8D_mC32_12_ae_bcf_2ij_d:Li-Ni-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_a2f_bde_3i2j_c:Li-Ni-O-Ti, expected Li5Ti(Ni2O7)2 to be Li3Ti(NiO2)4" +mp-1290806,LiTiNiO4,-7.3959613843,-2.3429176117,0.0456779438,0.0456779438,GGA+U,C2/c,ABC4D_mC28_15_e_c_2f_a:Li-Ni-O-Ti,14.0,ABC4D_mC28_15_e_a_2f_c:Li-Ni-O-Ti +mp-773607,LiTiNiO4,-7.3877251161,-2.3346813435,0.053914212,0.053914212,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Ti,28.0,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Ti +mp-755155,Li3Ti2NiO6,-7.4105813275,-2.6624128624,0.1156719342,0.1156719342,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Ni-O-Ti,12.0,"Invalid WP multiplicities - A3BC6D2_mC24_12_ai_d_5i_i:Li-Ni-O-Ti, expected Li3Ti2NiO10 to be Li3Ti2NiO6" +mp-759757,Li4Ti2Ni5O12,-6.8879407393,-2.0319571117,0.0562715436,0.0562715436,GGA+U,P2_1,A4B5C12D2_mP46_4_4a_5a_12a_2a:Li-Ni-O-Ti,46.0,"Invalid WP multiplicities - A4B5C12D2_mP46_4_8a_10a_24a_3a:Li-Ni-O-Ti, expected Li8Ti3(Ni5O12)2 to be Li4Ti2Ni5O12" +mp-756861,LiLa4Ti3O12,-8.884514021,-3.6495294274,0.030648867,0.030648867,GGA,P-1,A4BC12D3_aP20_2_2i_a_6i_beh:La-Li-O-Ti,20.0,"Invalid WP multiplicities - A4BC12D3_aP20_2_3i_a_11i_beh:La-Li-O-Ti, expected LiLa6Ti3O22 to be LiLa4Ti3O12" +mp-770539,Li5Ti2Ni5O12,-6.850047325,-2.1168578958,0.0304491026,0.0304491026,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Ni-O-Ti,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Ni-O-Ti, expected Li9Ti2Ni5O12 to be Li5Ti2Ni5O12" +mp-771000,Li4Ti5Ni3O16,-7.7636847771,-2.6350925996,0.0387663798,0.0387663798,GGA+U,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_ab_8a6b_3a2b:Li-Ni-O-Ti, expected Li4Ti7Ni3O20 to be Li4Ti5Ni3O16" +mp-770852,Li2TiNi2O5,-7.0382640625,-2.2375585959,0.039484313,0.039484313,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Li-Ni-O-Ti, expected Li2Ti(NiO5)2 to be Li2TiNi2O5" +mp-770851,Li2TiNi2O5,-7.030060682,-2.2293552154,0.0476876935,0.0476876935,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Li-Ni-O-Ti, expected Li2Ti(NiO5)2 to be Li2TiNi2O5" +mp-1177867,Li2TiNi2O5,-6.9748928095,-2.1741873429,0.102855566,0.102855566,GGA+U,C2/m,A2B2C5D_mC40_12_aci_2i_bd4i_i:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_12_ad2i_4i_bc8i_i:Li-Ni-O-Ti, expected Li3TiNi4O9 to be Li2TiNi2O5" +mp-755348,Li2TiNi2O5,-7.0324802535,-2.2317747869,0.045268122,0.045268122,GGA+U,C2/c,A2B2C5D_mC40_15_2e_2e_c2f_e:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_15_2e_4e_a2f_e:Li-Ni-O-Ti, expected Li2TiNi4O5 to be Li2TiNi2O5" +mp-760950,Li8TiNi7O16,-6.2024238563,-1.7407097597,0.0186666434,0.0186666434,GGA+U,P1,A8B7C16D_aP32_1_8a_7a_16a_a:Li-Ni-O-Ti,32.0,A8B7C16D_aP32_1_8a_7a_16a_a:Li-Ni-O-Ti +mp-752433,LiLa3Ti4O12,-8.9492259555,-3.5662671163,0.0287253576,0.0287253576,GGA,Cm,A3BC12D4_mC40_8_3a_a_4a4b_2b:La-Li-O-Ti,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_8_3a_a_4a8b_4b:La-Li-O-Ti, expected LiLa3Ti8O20 to be LiLa3Ti4O12" +mp-1222522,LiLa3Ti4O12,-8.9164688635,-3.5335100243,0.0614824496,0.0614824496,GGA,I4/mmm,A3BC12D4_tI40_139_ae_b_cdm_g:La-Li-O-Ti,20.0,A3BC12D4_tI40_139_ae_b_cdm_g:La-Li-O-Ti +mp-776015,Li2Ti3NiO8,-8.1105734321,-2.9064328498,0.0526895538,0.0500248121,GGA+U,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Ni-O-Ti,56.0,A2BC8D3_hR42_160_2a_a_2a2b_b:Li-Ni-O-Ti +mp-756409,Li2Ti3NiO8,-8.1480107995,-2.9438702171,0.0152521864,0.0125874448,GGA+U,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Li-Ni-O-Ti,56.0,A2BC8D3_hR42_166_c_a_ch_d:Li-Ni-O-Ti +mp-774680,Li2Ti3NiO8,-8.1220292888,-2.9178887064000003,0.0412336971,0.0385689555,GGA+U,P6_3mc,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Ni-O-Ti,56.0,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Ni-O-Ti +mp-775448,Li2Ti3NiO8,-8.0581917761,-2.8540511937,0.1050712098,0.1024064682,GGA+U,P2_13,A2BC8D3_cP56_198_2a_a_2a2b_b:Li-Ni-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_198_5a_a_8a13b_b:Li-Ni-O-Ti, expected Li5Ti3NiO47 to be Li2Ti3NiO8" +mp-775326,Li2Ti3NiO8,-8.1632629859,-2.9591224035,0.0,-0.0026647416,GGA+U,P4_332,A2BC8D3_cP56_212_c_a_ce_d:Li-Ni-O-Ti,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_212_c_a_8c9e_d:Li-Ni-O-Ti, expected Li2Ti3NiO70 to be Li2Ti3NiO8" +mp-760001,Li11Ti12(NiO8)4,-7.8928295137,-2.8562423745,0.0762508823,0.0762508823,GGA+U,R32,A11B4C32D12_hR177_155_c2de_ae_c5f_def:Li-Ni-O-Ti,59.0,"Invalid WP multiplicities - A11B4C32D12_hR177_155_2c3d6e_b2d_2c26f_3d3e2f:Li-Ni-O-Ti, expected Li31Ti30Ni7O160 to be Li11Ti12(NiO8)4" +mp-1378345,Li4Ti3(NiO4)3,-7.2119404177,-2.3018112317,0.1454860432,0.1454860432,GGA+U,P1,A4B3C12D3_aP22_1_4a_3a_12a_3a:Li-Ni-O-Ti,22.0,"Invalid WP multiplicities - A4B3C12D3_mC44_5_ab2c_ac_10c_bc:Li-Ni-O-Ti, expected Li6Ti3Ni3O20 to be Li4Ti3(NiO4)3" +mp-752963,Li4Ti3(NiO4)3,-7.2839378673,-2.3738086813,0.0734885937,0.0734885937,GGA+U,C2,A4B3C12D3_mC44_5_abc_ac_6c_bc:Li-Ni-O-Ti,22.0,"Invalid WP multiplicities - A4B3C12D3_mC44_5_ab2c_ac_10c_bc:Li-Ni-O-Ti, expected Li6Ti3Ni3O20 to be Li4Ti3(NiO4)3" +mp-758326,Li6TiNi7O16,-6.2346398283,-1.6027396498000002,0.0426499488,0.0426499488,GGA+U,P1,A6B7C16D_aP30_1_6a_7a_16a_a:Li-Ni-O-Ti,30.0,A6B7C16D_aP30_1_6a_7a_16a_a:Li-Ni-O-Ti +mp-1523191,LiLaTi4O12,-8.3477494561,-2.9151293131,0.2001776722,0.2001776722,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:La-Li-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:La-Li-O-Ti, expected LiLaTi4O18 to be LiLaTi4O12" +mp-755096,Li2TiNiO4,-7.1668827206,-2.5068540613,0.0347692131,0.0347692131,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Li-Ni-O-Ti,16.0,A2BC4D_mP8_10_bg_c_mn_e:Li-Ni-O-Ti +mp-764019,Li2TiNiO4,-7.1666396469,-2.5066109875,0.0350122869,0.0350122869,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-Ti,32.0,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-Ti +mp-1290956,Li3Ti2(NiO4)2,-7.2417459937,-2.3983102814,0.0762471972,0.0762471972,GGA+U,P-1,A3B2C8D2_aP15_2_deg_ac_4i_bf:Li-Ni-O-Ti,30.0,"Invalid WP multiplicities - A3B2C8D2_aP15_2_deg_a2c_4i_bf:Li-Ni-O-Ti, expected Li3Ti2Ni3O8 to be Li3Ti2(NiO4)2" +mp-753424,Li3Ti2(NiO4)2,-7.2531017567,-2.4096660444,0.0648914342,0.0648914342,GGA+U,C2/m,A3B2C8D2_mC30_12_bf_ac_2ij_e:Li-Ni-O-Ti,15.0,"Invalid WP multiplicities - A3B2C8D2_mC30_12_af_bc_3i2j_e:Li-Ni-O-Ti, expected Li3Ti2(NiO7)2 to be Li3Ti2(NiO4)2" +mp-752816,Li3Ti2(NiO4)2,-7.2379656387,-2.3945299264,0.0800275522,0.0800275522,GGA+U,C2/m,A3B2C8D2_mC30_12_bf_e_2ij_ac:Li-Ni-O-Ti,15.0,"Invalid WP multiplicities - A3B2C8D2_mC30_12_a2e_f_4ij_bc:Li-Ni-O-Ti, expected Li5Ti2(NiO6)2 to be Li3Ti2(NiO4)2" +mp-775328,Li2TiNi3O8,-6.6685313552,-1.7665843923,0.0405066724,0.0405066724,GGA+U,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Li-Ni-O-Ti,56.0,"Invalid WP multiplicities - A2B3C8D_oP56_19_5a_9a_29a_a:Li-Ni-O-Ti, expected Li5TiNi9O29 to be Li2TiNi3O8" +mp-1306670,Li3TiNi3O8,-6.5897702067,-1.8873581836,0.0361636359,0.0361636359,GGA+U,P-1,A3B3C8D_aP15_2_ceg_abd_4i_f:Li-Ni-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_ceg_a2bd_5i_f:Li-Ni-O-Ti, expected Li3Ti(Ni2O5)2 to be Li3TiNi3O8" +mp-1305541,Li3TiNi3O8,-6.590189413,-1.8877773899,0.0357444296,0.0357444296,GGA+U,P-1,A3B3C8D_aP30_2_abcgi_defhi_8i_i:Li-Ni-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_aP30_2_4di_2b2ci_16i_i:Li-Ni-O-Ti, expected Li3TiNi3O16 to be Li3TiNi3O8" +mp-758244,Li3TiNi3O8,-6.5890083753,-1.8865963522,0.0369254673,0.0369254673,GGA+U,C2/m,A3B3C8D_mC30_12_cf_ae_2ij_b:Li-Ni-O-Ti,30.0,A3B3C8D_mC30_12_ce_bf_2ij_a:Li-Ni-O-Ti +mp-1303223,Li3TiNi3O8,-6.590979398,-1.8885673749,0.0349544446,0.0349544446,GGA+U,C2/c,A3B3C8D_mC60_15_cf_abe_4f_e:Li-Ni-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_mC60_15_af_cd2e_8f_e:Li-Ni-O-Ti, expected Li3Ti(NiO4)4 to be Li3TiNi3O8" +mp-758922,Li4Ti2Ni3O10,-6.9689101763,-2.2197537209,0.0515290836,0.0515290836,GGA+U,P-1,A4B3C10D2_aP38_2_4i_bd2i_10i_2i:Li-Ni-O-Ti,38.0,"Invalid WP multiplicities - A4B3C10D2_aP38_2_6i_bd2i_16i_2i:Li-Ni-O-Ti, expected Li6Ti2Ni3O16 to be Li4Ti2Ni3O10" +mp-19445,LiLa4NiO8,-7.9710908843,-3.1849053374,0.0110642704,0.0110642704,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_c_ghn:La-Li-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_gh_a_c_g2hn:La-Li-Ni-O, expected LiLa4NiO10 to be LiLa4NiO8" +mp-1177671,Li3La5Ti8O24,-8.7914229577,-3.4841412245,0.0733737965,0.0733737965,GGA,C2/m,A5B3C24D8_mC80_12_a2i_bi_fh4i3j_2j:La-Li-O-Ti,40.0,"Invalid WP multiplicities - A5B3C24D8_mC80_12_a3i_bi_2e2h8i11j_4j:La-Li-O-Ti, expected Li3La7Ti16O68 to be Li3La5Ti8O24" +mp-766995,LiLa3Ti2O9,-8.7854076373,-3.6501991962,0.0304985893,0.0304985893,GGA,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_abe:La-Li-O-Ti,60.0,"Invalid WP multiplicities - A3BC9D2_mP60_14_8e_e_32e_2a2b3e:La-Li-O-Ti, expected LiLa8Ti5O32 to be LiLa3Ti2O9" +mp-767070,LiLa5Ti8O24,-9.1132866474,-3.6271439212,0.0386177651,0.0386177651,GGA,P1,A5BC24D8_aP38_1_5a_a_24a_8a:La-Li-O-Ti,38.0,A5BC24D8_aP38_1_5a_a_24a_8a:La-Li-O-Ti +mp-557492,LiLa5Ti8O24,-9.1076621892,-3.621519463,0.0442422233,0.0442422233,GGA,Pm,A5BC24D8_mP38_6_2a3b_a_4a4b8c_4c:La-Li-O-Ti,38.0,"Invalid WP multiplicities - A5BC24D8_mP38_6_2a3b_a_4a4b16c_5c:La-Li-O-Ti, expected LiLa5Ti10O40 to be LiLa5Ti8O24" +mp-768320,LiLa5Ti8O24,-9.1054222095,-3.6192794833,0.046482203,0.046482203,GGA,Cm,A5BC24D8_mC76_8_5a_a_8a8b_4b:La-Li-O-Ti,38.0,"Invalid WP multiplicities - A5BC24D8_mC76_8_5a_a_8a16b_7b:La-Li-O-Ti, expected LiLa5Ti14O40 to be LiLa5Ti8O24" +mp-560293,LiLa5Ti8O24,-9.1252256287,-3.6390829025,0.0266787838,0.0266787838,GGA,Pmm2,A5BC24D8_oP38_25_2a2bc_d_2e2f2g2h2i_2i:La-Li-O-Ti,38.0,"Invalid WP multiplicities - A5BC24D8_oP38_25_2a2bc_d_4e4f2g4h8i_4i:La-Li-O-Ti, expected LiLa5Ti16O60 to be LiLa5Ti8O24" +mp-1222315,LiLaTi2O6,-8.615212162,-3.3836075347,0.1181930789,0.1181930789,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:La-Li-O-Ti,10.0,ABC6D2_cF40_225_a_b_d_c:La-Li-O-Ti +mp-831246,Li2Ti2NiO6,-7.7278763175,-2.7215946162,0.085946158,0.085946158,GGA+U,Cmce,A2BC6D2_oC44_64_e_a_fg_d:Li-Ni-O-Ti,44.0,A2BC6D2_oC44_64_e_a_fg_d:Li-Ni-O-Ti +mp-755014,Li5Ti2Ni3O10,-6.925485142,-2.318340366,0.0146837427,0.0146837427,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_di_5i_i:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_di_9i_i:Li-Ni-O-Ti, expected Li9Ti2(NiO6)3 to be Li5Ti2Ni3O10" +mp-1345532,Li5Ti2Ni3O10,-4.976314913,-0.369170137,1.9638539717,1.9638539717,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ei_5i_i:Li-Ni-O-Ti,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_ei_9i_i:Li-Ni-O-Ti, expected Li9Ti2(NiO6)3 to be Li5Ti2Ni3O10" +mp-1210901,LiLa2TiO6,-8.2872420485,-3.3515859124,0.0627550397,0.0627550397,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Li-O-Ti,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Li-O-Ti +mp-1275017,Li3Ti(NiO3)2,-6.7269599429,-2.1550710892,0.038886909,0.038886909,GGA+U,P-1,A3B2C6D_aP24_2_ad2i_2i_6i_ce:Li-Ni-O-Ti,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_ad3i_3i_10i_ce:Li-Ni-O-Ti, expected Li4TiNi3O10 to be Li3Ti(NiO3)2" +mp-774353,Li3Ti(NiO3)2,-6.7266414221,-2.1547525684,0.0392054299,0.0392054299,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Ni-O-Ti,24.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Ni-O-Ti +mp-1306771,Li4TiNi3O8,-6.52664661,-1.9988276592,0.021297701,0.021297701,GGA+U,P1,A4B3C8D_aP32_1_8a_6a_16a_2a:Li-Ni-O-Ti,32.0,A4B3C8D_aP32_1_8a_6a_16a_2a:Li-Ni-O-Ti +mp-1298695,Li4TiNi3O8,-6.5245746756,-1.9967557248,0.0233696354,0.0233696354,GGA+U,P-1,A4B3C8D_aP32_2_adgh2i_bcefi_8i_i:Li-Ni-O-Ti,32.0,"Invalid WP multiplicities - A4B3C8D_aP32_2_bc2d2i_abdf2i_16i_i:Li-Ni-O-Ti, expected Li4Ti(NiO4)4 to be Li4TiNi3O8" +mp-1303744,Li4TiNi3O8,-6.5251522634,-1.9973333126,0.0227920476,0.0227920476,GGA+U,P-1,A4B3C8D_aP32_2_adgh2i_bcefi_8i_i:Li-Ni-O-Ti,32.0,"Invalid WP multiplicities - A4B3C8D_aP32_2_a2de2i_2bcgi_12i_i:Li-Ni-O-Ti, expected Li4Ti(NiO4)3 to be Li4TiNi3O8" +mp-1277563,Li4TiNi3O8,-6.5269018847,-1.9990829339,0.0210424264,0.0210424264,GGA+U,C2/m,A4B3C8D_mC32_12_abe_cf_2ij_d:Li-Ni-O-Ti,32.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_abf_2c2e_2ij_d:Li-Ni-O-Ti, expected Li4Ti(Ni3O4)2 to be Li4TiNi3O8" +mp-756601,Li4TiNi3O8,-6.5204169363,-1.9925979854,0.0275273748,0.0275273748,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Ni-O-Ti,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ab2f_c2e_4i2j_d:Li-Ni-O-Ti, expected Li6TiNi5O16 to be Li4TiNi3O8" +mp-758759,Li2Ti(NiO3)2,-6.8198890403,-2.0059123696,0.0685514157,0.0685514157,GGA+U,C2/m,A2B2C6D_mC66_12_hj_ij_3i3j_ag:Li-Ni-O-Ti,33.0,"Invalid WP multiplicities - A2B2C6D_mC66_12_hj_2i2j_6i8j_a2g:Li-Ni-O-Ti, expected Li6Ti5(Ni3O11)4 to be Li2Ti(NiO3)2" +mp-859186,CaFe3Si2O9,-8.0456008963,-2.5265010316,0.0575736299,0.0575736299,GGA+U,Pnma,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si,60.0,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si +mp-1204015,CaFe3Si2O9,-7.7005219175,-2.1814220527,0.4026526087,0.4026526087,GGA+U,Pnma,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si,60.0,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si +mp-1238485,CaFe3Si2O9,-7.8379537308,-2.3188538661,0.2652207954,0.2652207954,GGA+U,Pnma,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si,60.0,AB3C9D2_oP60_62_c_cd_5c2d_2c:Ca-Fe-O-Si +mp-1320262,ZnFe(SiO3)2,-7.6400094623,-2.6139561475,0.0289306525,0.0289306525,GGA+U,P-1,AB6C2D_aP40_2_2i_12i_4i_2i:Fe-O-Si-Zn,40.0,AB6C2D_mC40_15_e_3f_f_e:Fe-O-Si-Zn +mp-1255447,ZnFe(SiO3)2,-7.6418720065,-2.6158186918,0.0270681082,0.0270681082,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Fe-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Fe-O-Si-Zn +mp-1041868,ZnFe(SiO3)2,-7.6278322973,-2.6017789825,0.0411078175,0.0411078175,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Fe-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Fe-O-Si-Zn, expected ZnFeSi8O41 to be ZnFe(SiO3)2" +mp-1105632,CaZnSiO5,-6.5371656869,-2.3591525523,0.2442295843,0.2442295843,GGA,Cc,AB5CD_mC32_9_a_5a_a_a:Ca-O-Si-Zn,16.0,AB5CD_mC32_9_a_5a_a_a:Ca-O-Si-Zn +mp-1254209,Ca3Fe2(Si2O7)2,-7.960717615,-3.0080325655,0.0411360871,0.0411360871,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Fe-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Fe-O-Si, expected Ca3FeSi5O27 to be Ca3Fe2(Si2O7)2" +mp-6693,CaZn(SiO3)2,-7.413358658,-3.0337474763,0.0376036568,0.0376036568,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Zn +mp-1214297,Ca2Fe3Si3O14,-7.716112055,-2.4910729897,0.1061094104,0.1061094104,GGA+U,C2/m,A2B3C14D3_mC88_12_2i_ej_8i3j_3i:Ca-Fe-O-Si,44.0,A2B3C14D3_mC88_12_2i_ej_8i3j_3i:Ca-Fe-O-Si +mp-1251946,Ca2Fe2(SiO4)3,-7.7595826154,-2.6760320467,0.1065140574,0.1065140574,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_e_c_3g_ae:Ca-Fe-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_e_c_34g_3a4e:Ca-Fe-O-Si, expected Ca2Fe2Si11O136 to be Ca2Fe2(SiO4)3" +mp-1233925,CaZn2(FeO2)4,-6.808084082,-1.6095053067,0.2884546962,0.2884546962,GGA+U,C2/m,AB4C8D2_mC30_12_b_aci_2ij_e:Ca-Fe-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_a_bci_4ij_f:Ca-Fe-O-Zn, expected CaZn2(FeO3)4 to be CaZn2(FeO2)4" +mp-1233230,CaZn2(FeO2)4,-6.8641858807,-1.6656071053,0.2323528976,0.2323528976,GGA+U,Imm2,AB4C8D2_oI30_44_a_abc_2c2d_d:Ca-Fe-O-Zn,15.0,AB4C8D2_oI30_44_a_abc_2c2d_d:Ca-Fe-O-Zn +mp-818683,Ca2Fe2(SiO3)5,-8.058593879,-2.9636704207,0.0561866007,0.0561866007,GGA+U,P-1,A2B2C15D5_aP48_2_2i_2i_15i_5i:Ca-Fe-O-Si,48.0,A2B2C15D5_aP48_2_2i_2i_15i_5i:Ca-Fe-O-Si +mp-554905,CaZnSi3O8,-7.6590186788,-3.1117258119,0.0050132341,0.0050132341,GGA,P-1,AB8C3D_aP26_2_i_8i_3i_i:Ca-O-Si-Zn,52.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_28i_7i_i:Ca-O-Si-Zn, expected CaZn(SiO4)7 to be CaZnSi3O8" +mp-1408914,CaZnSi3O8,-3.7918940912,0.7553987758,3.8721378218,3.8721378218,GGA,P-1,AB8C3D_aP26_2_i_8i_3i_i:Ca-O-Si-Zn,26.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_13i_4i_i:Ca-O-Si-Zn, expected CaZnSi4O13 to be CaZnSi3O8" +mp-1043643,CaFe(Si2O5)2,-8.199547493,-3.0968112228,0.0164089243,0.0164089243,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Fe-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Fe-O-Si, expected CaFe(Si2O11)2 to be CaFe(Si2O5)2" +mp-12137,Ca(ZnSi)2,-3.339943986,-0.264799354,0.0059291915,0.0059291915,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Si-Zn,5.0,AB2C2_tI10_139_a_e_d:Ca-Si-Zn +mp-1048600,ZnFeSiO5,-7.0788673994,-2.0928015986,0.1255666251,0.1255666251,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Fe-O-Si-Zn,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Fe-O-Si-Zn +mp-1255391,ZnFeSiO5,-7.079257275,-2.0931914742,0.1251767495,0.1251767495,GGA+U,P-1,AB5CD_aP16_2_ab_5i_i_i:Fe-O-Si-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Fe-O-Si-Zn, expected ZnFeSiO9 to be ZnFeSiO5" +mp-1262781,Zn3Fe2(Si2O7)2,-7.3082645315,-2.4528650825,0.1022441611,0.1022441611,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Fe-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Fe-O-Si-Zn, expected Zn3FeSi5O27 to be Zn3Fe2(Si2O7)2" +mp-1227865,Ca4Fe5(Si3O14)2,-7.5360578937,-2.3864835294,0.1718045817,0.1718045817,GGA+U,P-1,A4B5C28D6_aP43_2_2i_a2i_14i_3i:Ca-Fe-O-Si,43.0,"Invalid WP multiplicities - A4B5C28D6_aP43_2_2i_a4i_20i_3i:Ca-Fe-O-Si, expected Ca4Fe9(Si3O20)2 to be Ca4Fe5(Si3O14)2" +mp-1171010,CaFe2(SiO3)4,-8.1407966921,-2.8772609576,0.0287424887,0.0287424887,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Fe-O-Si,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_5_a_ab_11c_3c:Ca-Fe-O-Si, expected CaFe2(Si3O11)2 to be CaFe2(SiO3)4" +mp-1227996,Ca3Fe7(SiO4)6,-8.079761627,-2.665276993,0.02832516,0.02832516,GGA+U,I4_132,A3B7C24D6_cI160_214_c_de_2i_f:Ca-Fe-O-Si,80.0,"Invalid WP multiplicities - A3B7C24D6_cI160_214_c_de_3i_f:Ca-Fe-O-Si, expected Ca3Fe7(SiO6)6 to be Ca3Fe7(SiO4)6" +mp-1227662,Ca2ZnFe(SiO3)4,-7.7620385067,-3.021913445,0.0239286125,0.0239286125,GGA+U,C2,A2BC12D4E_mC40_5_ab_a_6c_2c_b:Ca-Fe-O-Si-Zn,40.0,A2BC12D4E_mC40_5_ab_a_6c_2c_b:Ca-Fe-O-Si-Zn +mp-6227,Ca2ZnSi2O7,-7.3861908938,-3.1571575264,0.015429446,0.015429446,GGA,P-42_1m,A2B7C2D_tP24_113_e_cef_e_a:Ca-O-Si-Zn,24.0,"Invalid WP multiplicities - A2B7C2D_tP24_113_e_c2ef_e_a:Ca-O-Si-Zn, expected Ca2ZnSi2O9 to be Ca2ZnSi2O7" +mp-6672,Ca3Fe2(SiO4)3,-7.9459921714,-3.0163391371,0.0,-0.0027774686,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Fe-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Fe-O-Si +mp-1227080,Ca4Zn3Fe(SiO3)8,-7.5872040345,-3.0273359127,0.0312606825,0.0312606825,GGA+U,P1,A4BC24D8E3_aP40_1_4a_a_24a_8a_3a:Ca-Fe-O-Si-Zn,40.0,A4BC24D8E3_aP40_1_4a_a_24a_8a_3a:Ca-Fe-O-Si-Zn +mp-1227384,CaFe3(SiO3)4,-8.2112874525,-2.7874274442,0.018673371,0.018673371,GGA+U,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Ca-Fe-O-Si,40.0,"Invalid WP multiplicities - AB3C12D4_mC40_5_a_2a2b_6c_2c:Ca-Fe-O-Si, expected CaFe4(SiO3)4 to be CaFe3(SiO3)4" +mp-1227136,Ca4ZnFe3(SiO3)8,-7.9356194665,-3.0152374648,0.0178500549,0.0178500549,GGA+U,P2,A4B3C24D8E_mP40_3_abcd_abc_12e_4e_d:Ca-Fe-O-Si-Zn,40.0,"Invalid WP multiplicities - A4B3C24D8E_mP40_3_abcd_abc_24e_8e_d:Ca-Fe-O-Si-Zn, expected Ca4ZnFe3(SiO3)16 to be Ca4ZnFe3(SiO3)8" +mp-1046733,CaFeSiO5,-7.7053301006,-2.6260322661,0.0654852158,0.0654852158,GGA+U,C2/c,ABC5D_mC32_15_e_a_e2f_e:Ca-Fe-O-Si,16.0,ABC5D_mC32_15_e_c_e2f_e:Ca-Fe-O-Si +mp-18890,CaFe(SiO3)2,-8.1127060302,-3.0120670885,0.0082658933,0.0082658933,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Fe-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Fe-O-Si +mp-1041922,CaFe(SiO3)2,-8.0799068456,-2.9792679039000003,0.041065078,0.041065078,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Fe-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Fe-O-Si, expected CaFeSi8O41 to be CaFe(SiO3)2" +mp-1043537,ZnFe(Si2O5)2,-7.8618172486,-2.8056969953,0.0716192881,0.0716192881,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Fe-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Fe-O-Si-Zn, expected ZnFe(Si2O11)2 to be ZnFe(Si2O5)2" +mp-1193195,CaZn2(SiO4)2,-6.7150129842,-2.4881489188,0.1563849134,0.1563849134,GGA,Ama2,AB8C2D2_oC52_40_b_2b3c_c_2a:Ca-O-Si-Zn,26.0,AB8C2D2_oC52_40_b_2b3c_c_2a:Ca-O-Si-Zn +mp-1227003,CaZnSi,-3.2888998267,-0.3920126533,0.0357452017,-0.0235814894,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-Si-Zn,3.0,ABC_hP3_187_b_c_e:Ca-Si-Zn +mp-16266,CaZnSi,-3.3246450283,-0.427757855,0.0,-0.059326691,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Si-Zn,6.0,ABC_hP6_194_a_c_d:Ca-Si-Zn +mp-1100433,CaZnSi,-3.1030007133,-0.20611354,0.221644315,0.162317624,GGA,F-43m,ABC_cF12_216_a_b_c:Ca-Si-Zn,3.0,ABC_cF12_216_a_b_c:Ca-Si-Zn +mp-1258162,Zn3Fe2(SiO4)3,-7.1361906751,-2.3184160814,0.1297547354,0.1297547354,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Fe-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Fe-O-Si-Zn +mp-2228448,MgCr3(FeO4)2,-8.4567891114,-2.2372909279,0.0388946863,0.0388946863,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Fe-Mg-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Fe-Mg-O +mp-1033361,Mg6CrBiO8,-6.2905511013,-2.3737556894000003,0.3886534153,0.3886534153,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Cr-Mg-O, expected Mg6CrBiO12 to be Mg6CrBiO8" +mp-1033378,Mg6CrBiO8,-6.3266435375,-2.4098481256,0.3525609791,0.3525609791,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Cr-Mg-O, expected Mg6CrBiO12 to be Mg6CrBiO8" +mp-2217296,MgFe2(BiO3)2,-6.8147192491,-1.7327707948,0.1170697555,0.1170697555,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Fe-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Fe-Mg-O +mp-2217838,MgFe2(BiO3)2,-6.7422435491,-1.6602950948,0.1895454555,0.1895454555,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Fe-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Fe-Mg-O +mp-2217949,MgFe2(BiO3)2,-6.7415568118,-1.6596083575,0.1902321927,0.1902321927,GGA+U,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Bi-Fe-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Bi-Fe-Mg-O +mp-2240903,MgCr2(FeO3)2,-8.0259880273,-1.8872107839,0.3279085309,0.3279085309,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Cr-Fe-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Cr-Fe-Mg-O +mp-2217593,MgCr2(FeO3)2,-8.1968464436,-2.0580692002,0.1570501145,0.1570501145,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Cr-Fe-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Cr-Fe-Mg-O +mp-2217293,MgCr2(FeO3)2,-8.2006789218,-2.0619016784,0.1532176364,0.1532176364,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Cr-Fe-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Cr-Fe-Mg-O +mp-1037419,Mg30FeBiO32,-6.2862644805,-2.8704371273,0.0823323019,0.0823323019,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Fe-Mg-O, expected Mg90FeBiO80 to be Mg30FeBiO32" +mp-1037415,Mg30FeBiO32,-6.2884682841,-2.8726409309000003,0.0801284983,0.0801284983,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Fe-Mg-O, expected Mg110FeBiO72 to be Mg30FeBiO32" +mp-2229112,MgCr2(Fe2O5)2,-8.0689187459,-1.9363689257,0.1528215224,0.1528215224,GGA+U,P1,A2B4CD10_aP17_1_2a_4a_a_10a:Cr-Fe-Mg-O,17.0,A2B4CD10_aP17_1_2a_4a_a_10a:Cr-Fe-Mg-O +mp-2229926,MgCr2(Fe2O5)2,-8.0006713035,-1.8681214834,0.2210689647,0.2210689647,GGA+U,C2/m,A2B4CD10_mC34_12_i_2i_a_5i:Cr-Fe-Mg-O,17.0,"Invalid WP multiplicities - A2B4CD10_mC34_12_i_4i_a_9i:Cr-Fe-Mg-O, expected MgCr2(Fe4O9)2 to be MgCr2(Fe2O5)2" +mp-2229133,MgCr2(Fe2O5)2,-8.0593954488,-1.9268456287,0.1623448194,0.1623448194,GGA+U,Amm2,A2B4CD10_oC34_38_ab_2c_a_ab4c:Cr-Fe-Mg-O,17.0,"Invalid WP multiplicities - A2B4CD10_oC34_38_ab_2c_a_ab5c:Cr-Fe-Mg-O, expected MgCr2(FeO3)4 to be MgCr2(Fe2O5)2" +mp-1032130,Mg6CrFeO8,-6.8275023012,-2.6213611344,0.147104115,0.147104115,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-Fe-Mg-O, expected Mg6CrFeO12 to be Mg6CrFeO8" +mp-1032138,Mg6CrFeO8,-6.8175931625,-2.6114519956,0.1570132537,0.1570132537,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cr-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cr-Fe-Mg-O, expected Mg6CrFeO12 to be Mg6CrFeO8" +mp-1026499,Mg14CrBi,-2.1984881144,0.0451029669,0.0981525111,0.0981525111,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Cr-Mg, expected Mg18CrBi to be Mg14CrBi" +mp-1026478,Mg14CrBi,-2.1894844956,0.0541065856,0.1071561299,0.1071561299,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Cr-Mg, expected Mg26CrBi to be Mg14CrBi" +mp-1044380,MgFeBiO5,-6.6591293297,-1.8286000864,0.0597580966,0.0597580966,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Fe-Mg-O, expected MgFeBiO15 to be MgFeBiO5" +mp-1042813,MgFeBiO5,-6.569415955,-1.7388867117,0.1494714713,0.1494714713,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Fe-Mg-O, expected MgFeBiO31 to be MgFeBiO5" +mp-1222216,Mg3Cr8FeO16,-8.5758042793,-2.5171521186,0.003593278,0.003593278,GGA+U,R3m,A8BC3D16_hR84_160_2a2b_a_3a_4a4b:Cr-Fe-Mg-O,28.0,"Invalid WP multiplicities - A8BC3D16_hR84_160_2a6b_a_3a_4a12b:Cr-Fe-Mg-O, expected Mg3Cr20FeO40 to be Mg3Cr8FeO16" +mp-1038546,Mg30CrBiO32,-6.3140631472,-2.8797510088,0.101381492,0.101381492,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Cr-Mg-O, expected Mg90CrBiO80 to be Mg30CrBiO32" +mp-1038638,Mg30CrBiO32,-6.3125456089,-2.8782334705,0.1028990302,0.1028990302,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Cr-Mg-O, expected Mg110CrBiO72 to be Mg30CrBiO32" +mp-2219913,MgCr2(FeO4)2,-7.68331126,-1.7279322523,0.3801503621,0.3801503621,GGA+U,Pm,A2B2CD8_mP13_6_ab_c_a_2a2b2c:Cr-Fe-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_ab_c_a_2c2d2e:Cr-Fe-Mg-O, expected MgCr2(FeO6)2 to be MgCr2(FeO4)2" +mp-2219892,MgCr2(FeO4)2,-7.6662182646,-1.7108392569,0.3972433575,0.3972433575,GGA+U,C2/m,A2B2CD8_mC26_12_i_ac_b_2ij:Cr-Fe-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_i_bc_a_3i2j:Cr-Fe-Mg-O, expected MgCr2(FeO7)2 to be MgCr2(FeO4)2" +mp-2227391,MgCr2(FeO4)2,-7.6267729846,-1.6713939769,0.4366886375,0.4366886375,GGA+U,Amm2,A2B2CD8_oC26_38_ab_c_a_2cde:Cr-Fe-Mg-O,13.0,A2B2CD8_mP13_6_ab_c_a_2a2b2c:Cr-Fe-Mg-O +mp-1222099,MgCr8Fe3O16,-8.8362879029,-2.286939945,0.0073847234,0.0073847234,GGA+U,P-4m2,A8B3CD16_tP28_115_jk_ag_c_2j2k:Cr-Fe-Mg-O,28.0,"Invalid WP multiplicities - A8B3CD16_tP28_115_3j4k_cg_a_7j8k:Cr-Fe-Mg-O, expected MgCr28(FeO20)3 to be MgCr8Fe3O16" +mp-1035540,Mg14FeBiO16,-6.2342246084,-2.6760542828,0.1754442762,0.1754442762,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Fe-Mg-O, expected Mg18FeBiO20 to be Mg14FeBiO16" +mp-1035533,Mg14FeBiO16,-6.2386201503,-2.6804498247,0.1710487344,0.1710487344,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Fe-Mg-O, expected Mg30FeBiO32 to be Mg14FeBiO16" +mp-1360929,Mg3Cr6(FeO6)4,-7.7347913819,-1.9153389797,0.1106144896,0.1106144896,GGA+U,P-1,A6B4C3D24_aP37_2_3i_2i_ai_12i:Cr-Fe-Mg-O,37.0,"Invalid WP multiplicities - A6B4C3D24_aP37_2_5i_2i_ai_13i:Cr-Fe-Mg-O, expected Mg3Cr10(Fe2O13)2 to be Mg3Cr6(FeO6)4" +mp-1222043,MgCr4FeO8,-8.7055797929,-2.4015797336,0.0059552989,0.0059552989,GGA+U,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Fe-Mg-O,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Fe-Mg-O +mp-1016620,Mg6CrBi,-2.7931589988,0.0937431138,0.1752583836,0.1752583836,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Cr-Mg, expected Mg12CrBi to be Mg6CrBi" +mp-1016635,Mg6CrBi,-2.78776802,0.0991340925,0.1806493623,0.1806493623,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Cr-Mg, expected Mg12CrBi to be Mg6CrBi" +mp-2223110,MgCrFe(BiO3)2,-7.0113294464,-1.8218331502,0.1930289068,0.1930289068,GGA+U,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Bi-Cr-Fe-Mg-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Bi-Cr-Fe-Mg-O +mp-2222831,MgCrFe(BiO3)2,-6.9620316073,-1.7725353111,0.2423267459,0.2423267459,GGA+U,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Bi-Cr-Fe-Mg-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Bi-Cr-Fe-Mg-O +mp-1043056,Mg3Fe4(BiO4)6,-6.4774814324,-1.6006060584,0.1139890834,0.1139890834,GGA+U,P-1,A6B4C3D24_aP37_2_3i_2i_ai_12i:Bi-Fe-Mg-O,37.0,"Invalid WP multiplicities - A6B4C3D24_aP37_2_5i_2i_ai_13i:Bi-Fe-Mg-O, expected Mg3Fe4(Bi5O13)2 to be Mg3Fe4(BiO4)6" +mp-1032215,Mg6FeBiO8,-6.1839959075,-2.3411396369,0.3078171819,0.3078171819,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Fe-Mg-O, expected Mg6FeBiO12 to be Mg6FeBiO8" +mp-1032234,Mg6FeBiO8,-6.1482760194,-2.3054197487,0.34353707,0.34353707,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Fe-Mg-O, expected Mg6FeBiO12 to be Mg6FeBiO8" +mp-2227859,MgFeBiO3,-6.2606658767,-1.468856456,0.5049612283,0.5049612283,GGA+U,Pmm2,ABCD3_oP6_25_c_b_a_abd:Bi-Fe-Mg-O,6.0,ABCD3_oP6_25_c_b_a_abd:Bi-Fe-Mg-O +mp-2226121,MgFeBiO3,-6.1292967717,-1.337487351,0.6363303333,0.6363303333,GGA+U,P4mm,ABCD3_tP6_99_b_a_a_ac:Bi-Fe-Mg-O,6.0,ABCD3_tP6_99_b_a_a_ac:Bi-Fe-Mg-O +mp-2225597,MgFeBiO3,-6.3481121733,-1.5563027527000002,0.4175149317,0.4175149317,GGA+U,P4mm,ABCD3_tP6_99_a_b_a_bc:Bi-Fe-Mg-O,6.0,ABCD3_tP6_99_a_b_a_bc:Bi-Fe-Mg-O +mp-1022117,Mg6FeBi,-2.620717645,0.118306185,0.1998214548,0.1998214548,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Fe-Mg, expected Mg12FeBi to be Mg6FeBi" +mp-1022184,Mg6FeBi,-2.6062392519,0.1327845781,0.214299848,0.214299848,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Fe-Mg, expected Mg12FeBi to be Mg6FeBi" +mp-1033843,Mg14CrBiO16,-6.2998890234000005,-2.7047491272,0.2034755748,0.2034755748,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Cr-Mg-O, expected Mg18CrBiO20 to be Mg14CrBiO16" +mp-1033847,Mg14CrBiO16,-6.2981225191,-2.7029826228,0.2052420792,0.2052420792,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Cr-Mg-O, expected Mg30CrBiO32 to be Mg14CrBiO16" +mp-1044166,MgCrBiO5,-7.0786534462,-2.1002459205,0.0446265599,0.0446265599,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Cr-Mg-O, expected MgCrBiO15 to be MgCrBiO5" +mp-1042618,MgCrBiO5,-7.0206093712,-2.0422018455,0.1026706349,0.1026706349,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Cr-Mg-O, expected MgCrBiO31 to be MgCrBiO5" +mp-1222047,MgCrFeO4,-8.00629611,-2.3619955993,0.0092613246,0.0092613246,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Fe-Mg-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Cr-Fe-Mg-O, expected MgCrFeO8 to be MgCrFeO4" +mp-1035602,Mg14CrFeO16,-6.6024297109,-2.8626169372,0.0486358372,0.0486358372,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-Fe-Mg-O, expected Mg18CrFeO20 to be Mg14CrFeO16" +mp-1035597,Mg14CrFeO16,-6.5718567463,-2.8320439725,0.0792088019,0.0792088019,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cr-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cr-Fe-Mg-O, expected Mg30CrFeO32 to be Mg14CrFeO16" +mp-1027992,Mg14FeBi,-2.1096161862,0.0600357538,0.113085298,0.113085298,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Fe-Mg, expected Mg18FeBi to be Mg14FeBi" +mp-1027809,Mg14FeBi,-2.0808527325,0.0887992075,0.1418487517,0.1418487517,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Fe-Mg, expected Mg26FeBi to be Mg14FeBi" +mp-1037531,Mg30CrFeO32,-6.46671051,-2.9600619328,0.0225846041,0.0225846041,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-Fe-Mg-O, expected Mg110CrFeO72 to be Mg30CrFeO32" +mp-1037552,Mg30CrFeO32,-6.4497650608,-2.9431164836,0.0395300533,0.0395300533,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-Fe-Mg-O, expected Mg90CrFeO80 to be Mg30CrFeO32" +mp-551086,CrFe(BiO3)2,-7.382505712,-1.8340877912,0.015868009,0.015868009,GGA+U,R3,A2BCD6_hR30_146_2a_a_a_2b:Bi-Cr-Fe-O,20.0,A2BCD6_hR30_146_2a_a_a_2b:Bi-Cr-Fe-O +mp-2218370,MgCr2(BiO4)2,-7.1660703662,-1.9229270631,0.2021724706,0.2021724706,GGA+U,C2,A2B2CD8_mC26_5_ab_ab_a_4c:Bi-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_ab_ab_a_6c:Bi-Cr-Mg-O, expected MgCr2(BiO6)2 to be MgCr2(BiO4)2" +mp-2218406,MgCr2(BiO4)2,-7.1914449715,-1.9483016685,0.1767978653,0.1767978653,GGA+U,C2,A2B2CD8_mC26_5_c_c_a_4c:Bi-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_5_c_c_a_7c:Bi-Cr-Mg-O, expected MgCr2(BiO7)2 to be MgCr2(BiO4)2" +mp-753409,Li2FeCoO4,-6.6724575925,-1.7745901446,0.0744816272,0.0744816272,GGA+U,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Co-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_mP8_10_b_g_ce_2mn:Co-Fe-Li-O, expected Li2FeCoO6 to be Li2FeCoO4" +mp-1177967,Li2FeCoO4,-6.6178780656,-1.7200106177,0.1290611541,0.1290611541,GGA+U,C2/c,ABC2D4_mC32_15_a_c_bd_2f:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mC32_15_c_a_b2d_5f:Co-Fe-Li-O, expected Li3FeCoO10 to be Li2FeCoO4" +mp-1177955,Li2FeCoO4,-6.6617972,-1.7639297521,0.0851420197,0.0851420197,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Co-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_119_a_c_bd_2e2f:Co-Fe-Li-O, expected Li2FeCoO8 to be Li2FeCoO4" +mp-1222775,Li2FeCoO4,-6.6066756675,-1.7088082196,0.1402635522,0.1402635522,GGA+U,R-3m,ABC2D4_hR24_166_a_b_c_2c:Co-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_hR24_166_a_b_c_4c:Co-Fe-Li-O, expected Li2FeCoO8 to be Li2FeCoO4" +mp-756153,Li3Fe(SbO3)4,-6.4744037778,-1.9707508125,0.0552214467,0.0552214467,GGA+U,P1,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-Sb,40.0,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-Sb +mp-758042,Li4Fe3Co3(SbO8)2,-6.8805104107,-1.8170914699,0.0252618091,0.0252618091,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-Sb, expected Li4Fe3Co3(SbO10)2 to be Li4Fe3Co3(SbO8)2" +mp-754123,Li4FeCo3O8,-6.4931013706,-1.6803403861,0.1204808242,0.1204808242,GGA+U,P1,A3BC4D8_aP16_1_3a_a_4a_8a:Co-Fe-Li-O,16.0,A3BC4D8_aP16_1_3a_a_4a_8a:Co-Fe-Li-O +mp-765603,Li4FeCo3O8,-6.46703643,-1.6542754455000002,0.1465457648,0.1465457648,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_a2e_2c3h:Co-Fe-Li-O, expected Li7FeCo3O22 to be Li4FeCo3O8" +mp-761602,Li3Fe(CoO3)2,-6.6247767217,-1.783646916,0.0332578148,0.0332578148,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Co-Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_d2i_6i:Co-Fe-Li-O, expected Li5Fe(CoO6)2 to be Li3Fe(CoO3)2" +mp-776141,Li4Fe3Co2Sb3O16,-6.776918265,-1.8199034869,0.0941188348,0.0941188348,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Fe-Li-O-Sb, expected Li4Fe3Co2Sb3O20 to be Li4Fe3Co2Sb3O16" +mp-759810,Li6Fe3Co7O20,-6.7557054297,-1.6013832181,0.0334073874,0.0334073874,GGA+U,P2/m,A7B3C6D20_mP36_10_bm2n_cm_egmn_5m5n:Co-Fe-Li-O,36.0,"Invalid WP multiplicities - A7B3C6D20_mP36_10_b2m3n_c2m_dh2m2n_9m9n:Co-Fe-Li-O, expected Li10Fe5Co11O36 to be Li6Fe3Co7O20" +mp-759547,Li4FeCo9O20,-6.7042859915,-1.4391581369,0.0289924927,0.0289924927,GGA+U,P1,A9BC4D20_aP34_1_9a_a_4a_20a:Co-Fe-Li-O,34.0,A9BC4D20_aP34_1_9a_a_4a_20a:Co-Fe-Li-O +mp-752999,LiFeCo3O8,-6.8434191092,-1.360541636,0.0329363707,0.0329363707,GGA+U,R-3m,A3BCD8_hR39_166_d_b_a_ch:Co-Fe-Li-O,13.0,"Invalid WP multiplicities - A3BCD8_hR39_166_d_b_a_2c3h:Co-Fe-Li-O, expected LiFeCo3O22 to be LiFeCo3O8" +mp-757039,Fe3Co3(SbO8)2,-6.9554690779,-1.3663007915,0.134843264,0.134843264,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Fe-O-Sb,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Fe-O-Sb, expected Fe3Co3(SbO10)2 to be Fe3Co3(SbO8)2" +mp-763428,Li3Fe3CoO8,-6.92739312,-1.7394824723000002,0.0613694582,0.0613694582,GGA+U,Cm,AB3C3D8_mC30_8_a_ab_ab_4a2b:Co-Fe-Li-O,15.0,AB3C3D8_mC30_8_a_ab_ab_4a2b:Co-Fe-Li-O +mp-753590,Li3Fe3CoO8,-6.971756464,-1.7838458163,0.0170061142,0.0170061142,GGA+U,R-3m,AB3C3D8_hR45_166_a_e_d_ch:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_e_d_c2h:Co-Fe-Li-O, expected Li3Fe3CoO14 to be Li3Fe3CoO8" +mp-881189,Li4Fe3(CoO4)3,-6.7716389973,-1.6020493147,0.1093684241,0.1093684241,GGA+U,P-1,A3B3C4D12_aP22_2_ai_di_cei_6i:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A3B3C4D12_aP22_2_ai_di_cei_12i:Co-Fe-Li-O, expected Li4Fe3(CoO8)3 to be Li4Fe3(CoO4)3" +mp-1178151,Li2Fe3CoO8,-6.9817321973,-1.5596081367,0.120237762,0.120237762,GGA+U,P1,AB3C2D8_aP56_1_4a_12a_8a_32a:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_hR168_146_a2b_10b_2a4b_2a28b:Co-Fe-Li-O, expected Li14Fe30Co7O86 to be Li2Fe3CoO8" +mp-762595,Li2Fe3CoO8,-6.9700612414,-1.5479371808,0.1319087179,0.1319087179,GGA+U,P2_1,AB3C2D8_mP56_4_2a_6a_4a_16a:Co-Fe-Li-O,56.0,AB3C2D8_aP56_1_4a_12a_8a_32a:Co-Fe-Li-O +mp-757499,Li2Fe3CoO8,-7.0370206021,-1.6148965415,0.0649493572,0.0649493572,GGA+U,C2/m,AB3C2D8_mC28_12_a_be_f_2ij:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_mC28_12_a_bf_e_3i2j:Co-Fe-Li-O, expected Li2Fe3CoO14 to be Li2Fe3CoO8" +mp-759180,Li2Fe3CoO8,-7.0319372486,-1.609813188,0.0700327108,0.0700327108,GGA+U,C2/m,AB3C2D8_mC28_12_a_bh_e_2ij:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_mC28_12_a_bh_e_3i2j:Co-Fe-Li-O, expected Li2Fe3CoO14 to be Li2Fe3CoO8" +mp-762142,Li2Fe3CoO8,-7.0699567543,-1.6478326937,0.0320132051,0.0320132051,GGA+U,P4_32_12,AB3C2D8_tP56_96_a_ab_b_4b:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_tP56_96_a_2a3b_b_29b:Co-Fe-Li-O, expected Li2Fe8CoO58 to be Li2Fe3CoO8" +mp-756518,Li2Fe3CoO8,-6.9822208543,-1.5600967937,0.1197491051,0.1197491051,GGA+U,R3m,AB3C2D8_hR42_160_a_b_2a_2a2b:Co-Fe-Li-O,14.0,AB3C2D8_hR42_160_a_b_2a_2a2b:Co-Fe-Li-O +mp-756157,Li2Fe3CoO8,-7.0637453171,-1.6416212565,0.0382246422,0.0382246422,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2ch:Co-Fe-Li-O, expected Li2Fe3CoO10 to be Li2Fe3CoO8" +mp-756292,Li2Fe3CoO8,-7.0185185296,-1.596394469,0.0834514297,0.0834514297,GGA+U,P6_3mc,AB3C2D8_hP28_186_b_c_ab_ab2c:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C2D8_hP28_186_b_c_a2b_a2b9c:Co-Fe-Li-O, expected Li3Fe3CoO30 to be Li2Fe3CoO8" +mp-758375,Li2Fe3CoO8,-6.9170054293,-1.4948813687,0.1849645301,0.1849645301,GGA+U,P2_13,AB3C2D8_cP56_198_a_b_2a_2a2b:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_198_a_b_5a_8a13b:Co-Fe-Li-O, expected Li5Fe3CoO47 to be Li2Fe3CoO8" +mp-757897,Li2Fe3CoO8,-6.9500528314,-1.5279287708,0.1519171279,0.1519171279,GGA+U,P4_332,AB3C2D8_cP56_212_a_d_c_ce:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_212_a_d_c_8c9e:Co-Fe-Li-O, expected Li2Fe3CoO70 to be Li2Fe3CoO8" +mp-878729,Li2Fe3CoO8,-7.0576856563,-1.6355615957,0.0442843031,0.0442843031,GGA+U,P4_132,AB3C2D8_cP56_213_a_d_c_ce:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_cP56_213_a_d_c_8c9e:Co-Fe-Li-O, expected Li2Fe3CoO70 to be Li2Fe3CoO8" +mp-765027,Li4Fe9CoO20,-7.1058899171,-1.5203612589,0.1342554993,0.1342554993,GGA+U,P2/m,AB9C4D20_mP34_10_b_c2m2n_mn_5m5n:Co-Fe-Li-O,34.0,"Invalid WP multiplicities - AB9C4D20_mP34_10_b_c3m4n_mn_9m9n:Co-Fe-Li-O, expected Li4Fe15CoO36 to be Li4Fe9CoO20" +mp-756115,Li3Fe5(CoO6)2,-7.1675222695,-1.6378052343,0.129531314,0.129531314,GGA+U,C2,A2B5C3D12_mC44_5_ab_a2bc_ac_6c:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A2B5C3D12_mC44_5_ab_a2bc_ac_11c:Co-Fe-Li-O, expected Li3Fe5(CoO11)2 to be Li3Fe5(CoO6)2" +mp-759051,Li2FeCo9O20,-6.7448120578,-1.2699213915,0.0330666032,0.0330666032,GGA+U,P-1,A9BC2D20_aP32_2_b4i_c_i_10i:Co-Fe-Li-O,32.0,"Invalid WP multiplicities - A9BC2D20_aP32_2_b7i_c_i_19i:Co-Fe-Li-O, expected Li2FeCo15O38 to be Li2FeCo9O20" +mp-778012,Li3Fe2SbO6,-6.5962012008,-1.8898724902,0.0819468983,0.0819468983,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Fe-Li-O-Sb,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Fe-Li-O-Sb, expected Li3Fe2SbO10 to be Li3Fe2SbO6" +mp-772131,Li3Fe3SbO8,-6.8949740707,-1.9056845267,0.0434034017,0.0434034017,GGA+U,C2/m,A3B3C8D_mC30_12_bf_ce_2ij_a:Fe-Li-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_a2e_c2f_4i3j_b:Fe-Li-O-Sb, expected Li5Fe5SbO20 to be Li3Fe3SbO8" +mp-756407,Li3Fe3SbO8,-6.8692702447,-1.8799807007,0.0691072277,0.0691072277,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Fe-Li-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_2c2h_a:Fe-Li-O-Sb, expected Li3Fe3SbO16 to be Li3Fe3SbO8" +mp-771004,Li6Fe3Sb3O16,-6.4534152957,-1.8677858696,0.1096231593,0.1096231593,GGA+U,P1,A3B6C16D3_aP28_1_3a_6a_16a_3a:Fe-Li-O-Sb,28.0,A3B6C16D3_aP28_1_3a_6a_16a_3a:Fe-Li-O-Sb +mp-771508,Li6Fe3Sb3O16,-6.4891347261,-1.9035053,0.073903729,0.073903729,GGA+U,Cm,A3B6C16D3_mC56_8_ab_6a_8a4b_ab:Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B6C16D3_mC56_8_ab_6a_8a6b_ab:Fe-Li-O-Sb, expected Li6Fe3Sb3O20 to be Li6Fe3Sb3O16" +mp-763429,LiFe(CoO3)2,-6.85077587,-1.4232046766,0.0638225829,0.0638225829,GGA+U,C2/m,A2BCD6_mC20_12_i_a_c_3i:Co-Fe-Li-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_5i:Co-Fe-Li-O, expected LiFe(CoO5)2 to be LiFe(CoO3)2" +mp-761944,Li2FeCo3O8,-6.796905445,-1.5693104437,0.0002225485,0.0002225485,GGA+U,P1,A3BC2D8_aP56_1_12a_4a_8a_32a:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_cP56_212_d_a_c_8c9e:Co-Fe-Li-O, expected Li2FeCo3O70 to be Li2FeCo3O8" +mp-1299471,Li2FeCo3O8,-6.7532707271,-1.5256757258,0.0438572663,0.0438572663,GGA+U,P-1,A3BC2D8_aP28_2_abcefh_i_2i_8i:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_aP28_2_abcefh_i_3i_14i:Co-Fe-Li-O, expected Li3FeCo3O14 to be Li2FeCo3O8" +mp-1177976,Li2FeCo3O8,-6.7671863402,-1.5395913389,0.0299416533,0.0299416533,GGA+U,C2,A3BC2D8_mC112_5_ab5c_abc_4c_16c:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_hR168_155_3d3e4f_a2e_cf_2c26f:Co-Fe-Li-O, expected Li8Fe7(Co21O80)2 to be Li2FeCo3O8" +mp-761763,Li2FeCo3O8,-6.7574109196,-1.5298159183,0.0397170738,0.0397170738,GGA+U,Cc,A3BC2D8_mC56_9_3a_a_2a_8a:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC56_9_5a_a_3a_14a:Co-Fe-Li-O, expected Li3FeCo5O14 to be Li2FeCo3O8" +mp-763922,Li2FeCo3O8,-6.7015102329000005,-1.4739152315,0.0956177606,0.0956177606,GGA+U,C2/m,A3BC2D8_mC28_12_ae_b_cd_2ij:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_mC28_12_ae_b_cd_3i4j:Co-Fe-Li-O, expected Li2FeCo3O22 to be Li2FeCo3O8" +mp-1291664,Li2FeCo3O8,-6.6911054229,-1.4635104215,0.1060225706,0.1060225706,GGA+U,C2/m,A3BC2D8_mC28_12_ae_c_i_2ij:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC28_12_c2e_b_i_3ij:Co-Fe-Li-O, expected Li2Fe(CoO2)5 to be Li2FeCo3O8" +mp-1284679,Li2FeCo3O8,-6.7957258736,-1.5681308723,0.0014021199,0.0014021199,GGA+U,C2/c,A3BC2D8_mC56_15_abc_e_f_4f:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC56_15_2acd_e_f_10f:Co-Fe-Li-O, expected Li2Fe(CoO5)4 to be Li2FeCo3O8" +mp-1304790,Li2FeCo3O8,-6.7783424179,-1.5507474165,0.0187855756,0.0187855756,GGA+U,C2/c,A3BC2D8_mC56_15_abc_e_f_4f:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC56_15_2a2b2c_e_f_10f:Co-Fe-Li-O, expected Li2Fe(Co3O10)2 to be Li2FeCo3O8" +mp-757856,Li2FeCo3O8,-6.7147440775,-1.4871490762,0.082383916,0.082383916,GGA+U,P6_3mc,A3BC2D8_hP28_186_c_b_ab_ab2c:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_hP28_186_c_b_a2b_a2b9c:Co-Fe-Li-O, expected Li3Fe(CoO10)3 to be Li2FeCo3O8" +mp-775721,Li2FeCo3O8,-6.7009209971,-1.4733259958,0.0962069963,0.0962069963,GGA+U,R3m,A3BC2D8_hR42_160_b_a_2a_2a2b:Co-Fe-Li-O,14.0,A3BC2D8_hR42_160_b_a_2a_2a2b:Co-Fe-Li-O +mp-861570,Li2FeCo3O8,-6.7960953946,-1.5685003933,0.0010325988,0.0010325988,GGA+U,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC28_12_2c2e_b_i_3i3j:Co-Fe-Li-O, expected Li2Fe(CoO3)6 to be Li2FeCo3O8" +mp-758079,Li2FeCo3O8,-6.7672116018,-1.5396166005,0.0299163917,0.0299163917,GGA+U,P4_332,A3BC2D8_cP56_212_d_a_c_ce:Co-Fe-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_cP56_212_d_a_c_8c9e:Co-Fe-Li-O, expected Li2FeCo3O70 to be Li2FeCo3O8" +mp-759442,Li8Fe9CoO20,-7.016895835,-1.8183783128,0.0294273898,0.0294273898,GGA+U,P2/m,AB9C8D20_mP38_10_b_c2m2n_2m2n_5m5n:Co-Fe-Li-O,38.0,"Invalid WP multiplicities - AB9C8D20_mP38_10_b_c3m4n_3m3n_9m9n:Co-Fe-Li-O, expected Li12Fe15CoO36 to be Li8Fe9CoO20" +mp-759569,Li2Fe2Co3O10,-6.7823788332,-1.3971006773,0.1476532694,0.1476532694,GGA+U,Pm,A3B2C2D10_mP34_6_2a4b_3ab_2a2b_10a10b:Co-Fe-Li-O,34.0,A3B2C2D10_mP34_6_2a4b_3ab_2a2b_10a10b:Co-Fe-Li-O +mp-755944,Li3Fe2(CoO4)2,-6.78108517,-1.68395475,0.065429915,0.065429915,GGA+U,P-1,A2B2C3D8_aP15_2_ac_be_dfg_4i:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_aP15_2_ac_be_dfg_7i:Co-Fe-Li-O, expected Li3Fe2(CoO7)2 to be Li3Fe2(CoO4)2" +mp-1385162,Li3Fe2(CoO4)2,-3.97976729,1.11736313,2.866747795,2.866747795,GGA+U,P-1,A2B2C3D8_aP15_2_ac_bd_efg_4i:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_aP15_2_ac_bd_efg_7i:Co-Fe-Li-O, expected Li3Fe2(CoO7)2 to be Li3Fe2(CoO4)2" +mp-1177761,Li3Fe2(CoO4)2,-6.807317818,-1.710187398,0.039197267,0.039197267,GGA+U,C2/m,A2B2C3D8_mC30_12_ac_f_be_2ij:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_mC30_12_ac_e_bf_3i4j:Co-Fe-Li-O, expected Li3Fe2(CoO11)2 to be Li3Fe2(CoO4)2" +mp-765615,Li6Fe5SbO12,-6.8190240696,-1.9318195269,0.0268766147,0.0268766147,GGA+U,C2/m,A5B6C12D_mC48_12_agh_ij_2i2j_d:Fe-Li-O-Sb,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_12_a2gh_2i3j_3i6j_c:Fe-Li-O-Sb, expected Li16Fe7SbO30 to be Li6Fe5SbO12" +mp-764985,Li8Fe3Co7O20,-6.6858760279,-1.7023643081,0.0263809718,0.0263809718,GGA+U,Pm,A7B3C8D20_mP38_6_2a5b_3a_4a4b_10a10b:Co-Fe-Li-O,38.0,A7B3C8D20_mP38_6_2a5b_3a_4a4b_10a10b:Co-Fe-Li-O +mp-772179,Li4Fe5Co3O16,-6.9671353929,-1.5936435971,0.058624075,0.058624075,GGA+U,Cm,A3B5C4D16_mC56_8_ab_3ab_4a_8a4b:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B5C4D16_mC56_8_ab_3ab_4a_8a6b:Co-Fe-Li-O, expected Li4Fe5Co3O20 to be Li4Fe5Co3O16" +mp-760848,Li10Fe3Co7O20,-6.6267526363,-1.7969703591,0.0135009636,0.0135009636,GGA+U,P2/m,A7B3C10D20_mP40_10_bm2n_cm_eg2m2n_5m5n:Co-Fe-Li-O,40.0,"Invalid WP multiplicities - A7B3C10D20_mP40_10_b2m3n_cm_dh4m4n_9m9n:Co-Fe-Li-O, expected Li18Fe3Co11O36 to be Li10Fe3Co7O20" +mp-756791,Li5Fe5(SbO6)2,-6.8162594612,-1.836551653,0.0562260529,0.0562260529,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Fe-Li-O-Sb,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Fe-Li-O-Sb, expected Li9Fe5(SbO6)2 to be Li5Fe5(SbO6)2" +mp-756767,Li3Fe(CoO2)4,-6.7092714775,-1.57154831,0.112384427,0.112384427,GGA+U,P-1,A4BC3D8_aP16_2_abdh_g_cef_4i:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_aP16_2_abdh_g_cef_7i:Co-Fe-Li-O, expected Li3Fe(Co2O7)2 to be Li3Fe(CoO2)4" +mp-1177773,Li3Fe(CoO2)4,-6.7201888294,-1.5824656619000002,0.1014670752,0.1014670752,GGA+U,C2/m,A4BC3D8_mC32_12_ade_b_cf_2ij:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_ade_c_b2f_3i2j:Co-Fe-Li-O, expected Li5Fe(Co2O7)2 to be Li3Fe(CoO2)4" +mp-759196,Li3Fe2Co3O10,-6.7908558825,-1.598708576,0.0585760435,0.0585760435,GGA+U,Pm,A3B2C3D10_mP36_6_2a4b_3ab_3a3b_10a10b:Co-Fe-Li-O,36.0,A3B2C3D10_mP36_6_2a4b_3ab_3a3b_10a10b:Co-Fe-Li-O +mp-781613,Li4Fe3Co5O16,-6.7906988071,-1.514471541,0.0826396778,0.0826396778,GGA+U,Cm,A5B3C4D16_mC56_8_3ab_ab_4a_8a4b:Co-Fe-Li-O,28.0,A5B3C4D16_aP28_1_5a_3a_4a_16a:Co-Fe-Li-O +mp-753106,Li4Fe3Co5O16,-6.8062579561,-1.5300306899,0.0670805289,0.0670805289,GGA+U,P2/m,A5B3C4D16_mP28_10_bmn_hm_cdm_4m4n:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A5B3C4D16_mP28_10_b2m2n_e2m_cg2m_8m6n:Co-Fe-Li-O, expected Li6Fe5Co9O28 to be Li4Fe3Co5O16" +mp-763869,Li10Fe5Co3O16,-6.5514781385,-1.7893808597,0.0842915684,0.0842915684,GGA+U,P1,A3B5C10D16_aP34_1_3a_5a_10a_16a:Co-Fe-Li-O,34.0,A3B5C10D16_aP34_1_3a_5a_10a_16a:Co-Fe-Li-O +mp-759769,Li10Fe5Co3O16,-6.4897964215,-1.7276991426,0.1459732854,0.1459732854,GGA+U,Cm,A3B5C10D16_mC68_8_ab_3ab_6a2b_8a4b:Co-Fe-Li-O,34.0,"Invalid WP multiplicities - A3B5C10D16_mC68_8_a2b_3ab_6a3b_8a7b:Co-Fe-Li-O, expected Li12Fe5Co5O22 to be Li10Fe5Co3O16" +mp-802872,Li5Fe2Co3O10,-3.6306504455,1.233174417,3.0629459642,3.0629459642,GGA+U,P-1,A3B2C5D10_aP20_2_bi_i_c2i_5i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A3B2C5D10_aP20_2_bi_i_c4i_9i:Co-Fe-Li-O, expected Li9Fe2(CoO6)3 to be Li5Fe2Co3O10" +mp-755858,Li5Fe2Co3O10,-6.596171177,-1.7323463145,0.0974252328,0.0974252328,GGA+U,P-1,A3B2C5D10_aP20_2_bi_i_c2i_5i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A3B2C5D10_aP20_2_bi_i_c4i_9i:Co-Fe-Li-O, expected Li9Fe2(CoO6)3 to be Li5Fe2Co3O10" +mp-769566,Li5Fe2Co3O10,-6.6735863037000005,-1.8097614412,0.020010106,0.020010106,GGA+U,Pm,A3B2C5D10_mP40_6_2a4b_3ab_5a5b_10a10b:Co-Fe-Li-O,40.0,A3B2C5D10_mP40_6_2a4b_3ab_5a5b_10a10b:Co-Fe-Li-O +mp-774920,LiFeSbO4,-6.8518519704,-1.9526090901,0.0,-0.0092898712,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Sb,28.0,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Sb +mp-754807,LiFeSbO4,-6.8495760207,-1.9503331405,0.0022759496,-0.0070139215,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Fe-Li-O-Sb,28.0,ABC4D_tP28_95_c_a_2d_b:Fe-Li-O-Sb +mp-764865,Li8FeCo9O20,-6.5692497034,-1.6574065844,0.0287184584,0.0287184584,GGA+U,P-1,A9BC8D20_aP38_2_b4i_c_4i_10i:Co-Fe-Li-O,38.0,"Invalid WP multiplicities - A9BC8D20_aP38_2_b7i_c_7i_19i:Co-Fe-Li-O, expected Li14FeCo15O38 to be Li8FeCo9O20" +mp-770854,Li10Fe3Sb7O24,-6.3331593495,-1.9667313939,0.082739432,0.082739432,GGA+U,P1,A3B10C24D7_aP44_1_3a_10a_24a_7a:Fe-Li-O-Sb,44.0,A3B10C24D7_aP44_1_3a_10a_24a_7a:Fe-Li-O-Sb +mp-757626,Li2Fe3Co7O20,-6.8487041278,-1.288706998,0.0783244548,0.0783244548,GGA+U,P2/m,A7B3C2D20_mP32_10_bm2n_cm_eg_5m5n:Co-Fe-Li-O,32.0,"Invalid WP multiplicities - A7B3C2D20_mP32_10_b2m3n_c2m_dh_9m9n:Co-Fe-Li-O, expected Li2Fe5Co11O36 to be Li2Fe3Co7O20" +mp-763920,Li6Fe5CoO12,-6.8788275458,-1.8674848133,0.0459210403,0.0459210403,GGA+U,C2/m,AB5C6D12_mC48_12_a_dgh_ij_2i2j:Co-Fe-Li-O,24.0,"Invalid WP multiplicities - AB5C6D12_mC48_12_a_cgh_i2j_4i3j:Co-Fe-Li-O, expected Li10Fe5CoO20 to be Li6Fe5CoO12" +mp-850359,Li5Fe5(CoO6)2,-7.0091240863,-1.7811398984,0.0543403064,0.0543403064,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2bc_a2c_6c:Co-Fe-Li-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2bc_a4c_6c:Co-Fe-Li-O, expected Li9Fe5(CoO6)2 to be Li5Fe5(CoO6)2" +mp-1295199,Li5Fe3(SbO5)2,-6.5448719345,-1.9108935567,0.0630895335,0.0630895335,GGA+U,P1,A3B5C10D2_aP20_1_3a_5a_10a_2a:Fe-Li-O-Sb,20.0,A3B5C10D2_aP20_1_3a_5a_10a_2a:Fe-Li-O-Sb +mp-1275686,Li5Fe3(SbO5)2,-6.5638164852,-1.9298381075,0.0441449827,0.0441449827,GGA+U,P1,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb,40.0,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb +mp-1304822,Li5Fe3(SbO5)2,-6.5584214477,-1.92444307,0.0495400202,0.0495400202,GGA+U,P1,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb,40.0,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb +mp-1306566,Li5Fe3(SbO5)2,-6.5641958292,-1.9302174515,0.0437656387,0.0437656387,GGA+U,P1,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb,40.0,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb +mp-1318211,Li5Fe3(SbO5)2,-6.5620994635,-1.9281210857,0.0458620045,0.0458620045,GGA+U,P1,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb,40.0,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb +mp-1638622,Li5Fe3(SbO5)2,-6.5646586247,-1.930680247,0.0433028432,0.0433028432,GGA+U,P1,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb,40.0,A3B5C10D2_aP40_1_6a_10a_20a_4a:Fe-Li-O-Sb +mp-754805,Li5Fe3(SbO5)2,-6.534986288,-1.9010079102,0.07297518,0.07297518,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Fe-Li-O-Sb,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Fe-Li-O-Sb, expected Li9Fe3(SbO9)2 to be Li5Fe3(SbO5)2" +mp-886023,Li5Fe3(SbO5)2,-3.4192613535,1.2147170243,3.1887001145,3.1887001145,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Fe-Li-O-Sb,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Fe-Li-O-Sb, expected Li9Fe3(SbO9)2 to be Li5Fe3(SbO5)2" +mp-1368231,Li5Fe3(SbO5)2,-4.9660931085,-0.3321147307,1.6418683595,1.6418683595,GGA+U,P-1,A3B5C10D2_aP20_2_bi_c2i_5i_i:Fe-Li-O-Sb,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_c4i_9i_i:Fe-Li-O-Sb, expected Li9Fe3(SbO9)2 to be Li5Fe3(SbO5)2" +mp-756107,Li2Fe3SbO8,-7.1316540593,-1.922338324,0.0075663457,0.0036415985,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Sb,28.0,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Sb +mp-771712,Li2Fe3SbO8,-7.139220405,-1.9299046698,0.0,-0.0039247472,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Fe-Li-O-Sb, expected Li3Fe3SbO30 to be Li2Fe3SbO8" +mp-774583,Li2Fe3SbO8,-7.1368523495,-1.9275366142,0.0023680555,-0.0015566917,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Fe-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Fe-Li-O-Sb, expected Li2Fe3SbO70 to be Li2Fe3SbO8" +mp-753569,Li5Fe2Co5O12,-6.7009036046,-1.6431323436,0.0958467383,0.0958467383,GGA+U,C2,A5B2C5D12_mC48_5_a2bc_ab_a2c_6c:Co-Fe-Li-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a2bc_ab_a4c_12c:Co-Fe-Li-O, expected Li9Fe2Co5O24 to be Li5Fe2Co5O12" +mp-765504,Li8Fe3Co5O16,-6.6712850553,-1.8159708391,0.008975652,0.008975652,GGA+U,P2/m,A5B3C8D16_mP32_10_bmn_hm_cdm2n_4m4n:Co-Fe-Li-O,32.0,"Invalid WP multiplicities - A5B3C8D16_mP32_10_bm2n_em_cg2m4n_8m6n:Co-Fe-Li-O, expected Li14Fe3(CoO4)7 to be Li8Fe3Co5O16" +mp-769792,Li4Fe5CoO12,-6.9626935864,-1.6693126842,0.107389606,0.107389606,GGA+U,C2,AB5C4D12_mC44_5_a_2a3b_2c_6c:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - AB5C4D12_mC44_5_a_2a3b_2c_11c:Co-Fe-Li-O, expected Li4Fe5CoO22 to be Li4Fe5CoO12" +mp-756756,Li4Fe5CoO12,-6.8662315823,-1.5728506802000002,0.2038516101,0.2038516101,GGA+U,C2/m,AB5C4D12_mC44_12_a_dgh_j_2i2j:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - AB5C4D12_mC44_12_a_dg2h_j_4i5j:Co-Fe-Li-O, expected Li4Fe7CoO28 to be Li4Fe5CoO12" +mp-759337,Li2Fe2CoO6,-6.9094164918,-1.6779311995,0.0702949259,0.0702949259,GGA+U,C2/m,AB2C2D6_mC22_12_a_i_i_3i:Co-Fe-Li-O,11.0,"Invalid WP multiplicities - AB2C2D6_mC22_12_a_i_i_5i:Co-Fe-Li-O, expected Li2Fe2CoO10 to be Li2Fe2CoO6" +mp-1177978,Li2Fe2SbO6,-6.8081986855,-1.8475603527,0.1026479453,0.1026479453,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Fe-Li-O-Sb,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_d_e_2f3g_a:Fe-Li-O-Sb, expected Li2Fe2SbO16 to be Li2Fe2SbO6" +mp-752780,Li8FeCo3O8,-5.9478638985,-1.7158705376,0.0981258083,0.0981258083,GGA+U,P1,A3BC8D8_aP20_1_3a_a_8a_8a:Co-Fe-Li-O,20.0,A3BC8D8_aP20_1_3a_a_8a_8a:Co-Fe-Li-O +mp-1177408,Li4Fe5SbO12,-6.9935955605,-1.8356381381,0.099964068,0.099964068,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Fe-Li-O-Sb,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2g2h_j_3i4j_c:Fe-Li-O-Sb, expected Li4Fe9SbO22 to be Li4Fe5SbO12" +mp-759403,Li4Fe2Co3Sb3O16,-6.7151225218,-1.8067400085,0.0780985163,0.0780985163,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Sb,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Sb +mp-761710,LiFeCoO4,-6.9350602464,-1.6102007155,0.01448873,0.01448873,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_h2i:Co-Fe-Li-O, expected LiFeCoO6 to be LiFeCoO4" +mp-850214,LiFeCoO4,-6.9051893007,-1.5803297698,0.0443596757,0.0443596757,GGA+U,Imma,ABCD4_oI28_74_c_a_b_hi:Co-Fe-Li-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_c_a_b_4h3i:Co-Fe-Li-O, expected LiFeCoO14 to be LiFeCoO4" +mp-757050,LiFeCoO4,-6.8583023811,-1.5334428501,0.0912465953,0.0912465953,GGA+U,P4_322,ABCD4_tP28_95_a_c_b_2d:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_c_b_3d:Co-Fe-Li-O, expected LiFeCoO6 to be LiFeCoO4" +mp-759074,Li6Fe3Co5O16,-6.7071041577,-1.6553638515,0.0670279966,0.0670279966,GGA+U,Pm,A5B3C6D16_mP30_6_2a3b_2ab_4a2b_8a8b:Co-Fe-Li-O,30.0,A5B3C6D16_mP30_6_2a3b_2ab_4a2b_8a8b:Co-Fe-Li-O +mp-765392,Li6Fe9CoO20,-7.0689035742,-1.6876307933,0.0689467967,0.0689467967,GGA+U,Pm,AB9C6D20_mP36_6_a_4a5b_3a3b_10a10b:Co-Fe-Li-O,36.0,AB9C6D20_mP36_6_a_4a5b_3a3b_10a10b:Co-Fe-Li-O +mp-796968,Li5Fe3(CoO5)2,-3.8360363625,1.0958736708,2.9642456671,2.9642456671,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_d2i_5i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_d4i_9i:Co-Fe-Li-O, expected Li9Fe3(CoO9)2 to be Li5Fe3(CoO5)2" +mp-752962,Li5Fe3(CoO5)2,-6.715321649,-1.7834116157,0.0849603806,0.0849603806,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_d2i_5i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_d4i_9i:Co-Fe-Li-O, expected Li9Fe3(CoO9)2 to be Li5Fe3(CoO5)2" +mp-1347745,Li5Fe3(CoO5)2,-5.5245721375,-0.5926621042,1.2757098921,1.2757098921,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_c2i_5i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_c4i_9i:Co-Fe-Li-O, expected Li9Fe3(CoO9)2 to be Li5Fe3(CoO5)2" +mp-770651,Li10Fe9CoO20,-6.9552268275,-1.9211890381,0.0050836319,0.0050836319,GGA+U,P2/m,AB9C10D20_mP40_10_b_c2m2n_eg2m2n_5m5n:Co-Fe-Li-O,40.0,"Invalid WP multiplicities - AB9C10D20_mP40_10_b_c4m4n_dh4m3n_10m10n:Co-Fe-Li-O, expected Li16Fe17CoO40 to be Li10Fe9CoO20" +mp-756320,Li3Fe4SbO8,-7.0573875106,-1.8505522375,0.0,-0.002297625,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Fe-Li-O-Sb,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_cf_4i2j_b:Fe-Li-O-Sb, expected Li3Fe4SbO16 to be Li3Fe4SbO8" +mp-759050,Li6FeCo9O20,-6.5940856522,-1.5154136303,0.0743889471,0.0743889471,GGA+U,P-1,A9BC6D20_aP36_2_b4i_c_3i_10i:Co-Fe-Li-O,36.0,"Invalid WP multiplicities - A9BC6D20_aP36_2_b7i_c_4i_19i:Co-Fe-Li-O, expected Li8FeCo15O38 to be Li6FeCo9O20" +mp-759773,Li4Fe3Co7O20,-6.7807184262,-1.4354903707,0.0865520952,0.0865520952,GGA+U,P2/m,A7B3C4D20_mP34_10_bm2n_cm_egm_5m5n:Co-Fe-Li-O,34.0,"Invalid WP multiplicities - A7B3C4D20_mP34_10_b2m3n_c2m_dh2m_9m9n:Co-Fe-Li-O, expected Li6Fe5Co11O36 to be Li4Fe3Co7O20" +mp-764262,Li10FeCo9O20,-6.489961298,-1.7282641916,0.0436066819,0.0436066819,GGA+U,P1,A9BC10D20_aP40_1_9a_a_10a_20a:Co-Fe-Li-O,40.0,A9BC10D20_aP40_1_9a_a_10a_20a:Co-Fe-Li-O +mp-761094,Li10FeCo9O20,-6.47796331,-1.7162662036,0.0556046699,0.0556046699,GGA+U,P-1,A9BC10D20_aP40_2_b4i_e_5i_10i:Co-Fe-Li-O,40.0,"Invalid WP multiplicities - A9BC10D20_aP40_2_b6i_e_7i_20i:Co-Fe-Li-O, expected Li14FeCo13O40 to be Li10FeCo9O20" +mp-752817,Li2Fe3Co5O16,-6.849303,-1.3140523185,0.1188370471,0.1188370471,GGA+U,P2/m,A5B3C2D16_mP26_10_cmn_dn_n_4m4n:Co-Fe-Li-O,26.0,"Invalid WP multiplicities - A5B3C2D16_mP26_10_a2m2n_d2n_n_6m8n:Co-Fe-Li-O, expected Li2Fe5Co9O28 to be Li2Fe3Co5O16" +mp-775227,Li4Fe5(CoO6)2,-7.0862228537,-1.7139316519,0.0889581085,0.0889581085,GGA+U,P2_1,A2B5C4D12_mP46_4_2a_5a_4a_12a:Co-Fe-Li-O,46.0,"Invalid WP multiplicities - A2B5C4D12_mP46_4_3a_10a_8a_24a:Co-Fe-Li-O, expected Li8Fe10(CoO8)3 to be Li4Fe5(CoO6)2" +mp-756592,Li3Fe4CoO8,-7.1743460794,-1.7813035216,0.025041998,0.025041998,GGA+U,C2/m,AB4C3D8_mC32_12_a_bcf_de_2ij:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_bde_c2f_3i2j:Co-Fe-Li-O, expected Li5Fe4CoO14 to be Li3Fe4CoO8" +mp-768602,Li4Fe5Sb3O16,-6.9552211725,-1.9009418648,0.0403150152,0.0403150152,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Fe-Li-O-Sb, expected Li4Fe5Sb3O20 to be Li4Fe5Sb3O16" +mp-772702,Li6Fe3Co3O16,-6.423418,-1.5185760859,0.0875361845,0.0875361845,GGA+U,P1,A3B3C6D16_aP28_1_3a_3a_6a_16a:Co-Fe-Li-O,28.0,A3B3C6D16_aP28_1_3a_3a_6a_16a:Co-Fe-Li-O +mp-755973,Li6Fe3Co3O16,-6.4237194186,-1.5188775045,0.0872347659,0.0872347659,GGA+U,Cm,A3B3C6D16_mC56_8_ab_ab_6a_8a4b:Co-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C6D16_mC56_8_ab_ab_6a_8a6b:Co-Fe-Li-O, expected Li6Fe3Co3O20 to be Li6Fe3Co3O16" +mp-1222680,Li5Fe(Co2O5)2,-6.427686021,-1.6319463292,0.1592247689,0.1592247689,GGA+U,R-3m,A4BC5D10_hR60_166_2c_a_b2c_5c:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A4BC5D10_hR60_166_3c_a_b2c_9c:Co-Fe-Li-O, expected Li5Fe(CoO3)6 to be Li5Fe(Co2O5)2" +mp-1178389,Fe2Co3Sb3O16,-6.8867143292,-1.4784218748,0.117530758,0.117530758,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Co-Fe-O-Sb,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Co-Fe-O-Sb, expected Fe2Co3Sb3O20 to be Fe2Co3Sb3O16" +mp-752595,Li2Fe3(CoO4)3,-6.949322396,-1.4536660318,0.073742583,0.073742583,GGA+U,P-1,A3B3C2D12_aP20_2_ai_di_i_6i:Co-Fe-Li-O,20.0,"Invalid WP multiplicities - A3B3C2D12_aP20_2_a2i_d2i_i_11i:Co-Fe-Li-O, expected Li2Fe5Co5O22 to be Li2Fe3(CoO4)3" +mp-780303,Li4Fe3SbO8,-6.7470116713,-1.9502450446,0.0150127205,0.0150127205,GGA+U,C2/m,A3B4C8D_mC32_12_af_cde_2ij_b:Fe-Li-O-Sb,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_a2e_cd2f_4i3j_b:Fe-Li-O-Sb, expected Li6Fe5SbO20 to be Li4Fe3SbO8" +mp-769870,Li4Fe3Sb5O16,-6.6521048636,-1.9078984108,0.0473536352,0.0473536352,GGA+U,P1,A3B4C16D5_aP28_1_3a_4a_16a_5a:Fe-Li-O-Sb,28.0,A3B4C16D5_aP28_1_3a_4a_16a_5a:Fe-Li-O-Sb +mp-753521,Li4Fe3Sb5O16,-6.6327422654,-1.8885358126,0.0667162334,0.0667162334,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Fe-Li-O-Sb, expected Li4Fe3Sb7O20 to be Li4Fe3Sb5O16" +mp-761592,Li3Fe2CoO6,-6.8235588958,-1.8689538056,0.0122850071,0.0122850071,GGA+U,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Co-Fe-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_di_5i:Co-Fe-Li-O, expected Li3Fe2CoO10 to be Li3Fe2CoO6" +mp-1222513,Li3Fe2CoO6,-6.8247037225,-1.8700986323,0.0111401804,0.0111401804,GGA+U,C2/m,AB2C3D6_mC24_12_a_g_dh_ij:Co-Fe-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_g_c2h_2i2j:Co-Fe-Li-O, expected Li5Fe2CoO12 to be Li3Fe2CoO6" +mp-1303115,Li3Fe2CoO6,-6.8086313633,-1.8540262731,0.0272125396,0.0272125396,GGA+U,C2/m,AB2C3D6_mC48_12_ad_gh_ij_2i2j:Co-Fe-Li-O,24.0,"Invalid WP multiplicities - AB2C3D6_mC48_12_ad_2g2h_ij_4i8j:Co-Fe-Li-O, expected Li3Fe4CoO20 to be Li3Fe2CoO6" +mp-756543,Li4FeCo5O12,-6.6171259045,-1.5713274415,0.066473524,0.066473524,GGA+U,C2/m,A5BC4D12_mC44_12_agh_d_j_2i2j:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A5BC4D12_mC44_12_a2gh_c_j_4i5j:Co-Fe-Li-O, expected Li4Fe(CoO4)7 to be Li4FeCo5O12" +mp-756829,Li4Fe3CoO8,-6.8057119787,-1.8227380674,0.0745842658,0.0745842658,GGA+U,P1,AB3C4D8_aP16_1_a_3a_4a_8a:Co-Fe-Li-O,16.0,AB3C4D8_aP16_1_a_3a_4a_8a:Co-Fe-Li-O +mp-752777,Li4Fe3CoO8,-6.8686062575,-1.8856323461,0.011689987,0.011689987,GGA+U,C2/m,AB3C4D8_mC32_12_a_bh_ei_2ij:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_bh_fi_3i2j:Co-Fe-Li-O, expected Li4Fe3CoO14 to be Li4Fe3CoO8" +mp-1296443,Li4Fe3CoO8,-6.8537835344,-1.870809623,0.0265127102,0.0265127102,GGA+U,C2/m,AB3C4D8_mC32_12_a_be_cdf_2ij:Co-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_2b3f_cd2e_3i3j:Co-Fe-Li-O, expected Li6Fe8CoO18 to be Li4Fe3CoO8" +mp-1291817,Li4Fe3CoO8,-6.8505644578,-1.8675905465,0.0297317867,0.0297317867,GGA+U,C2/c,AB3C4D8_mC64_15_c_abd_2ef_4f:Co-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_ah_bcdefg_4i_15i:Co-Fe-Li-O, expected Li4Fe3CoO15 to be Li4Fe3CoO8" +mp-756405,Li4Fe3CoO8,-6.8639669094,-1.880992998,0.0163293352,0.0163293352,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Co-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_hR48_166_a_e_bd_2c2h:Co-Fe-Li-O, expected Li4Fe3CoO16 to be Li4Fe3CoO8" +mp-1176746,LiFe2(CoO4)2,-6.9451056085000005,-1.3574817187,0.1148190058,0.1148190058,GGA+U,C2/m,A2B2CD8_mC26_12_e_ac_b_2ij:Co-Fe-Li-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_e_ac_b_4i3j:Co-Fe-Li-O, expected LiFe2(CoO10)2 to be LiFe2(CoO4)2" +mp-752570,Li3FeCo3O8,-6.6487057253,-1.642355533,0.0530434983,0.0530434983,GGA+U,C2/m,A3BC3D8_mC30_12_ae_b_cf_2ij:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_bf_a_c2e_4ij:Co-Fe-Li-O, expected Li5Fe(CoO4)3 to be Li3FeCo3O8" +mp-753893,Li3FeCo3O8,-6.581682926,-1.5753327337,0.1200662976,0.1200662976,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Co-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_c2h:Co-Fe-Li-O, expected Li3FeCo3O14 to be Li3FeCo3O8" +mp-1646935,Li2Fe(CoO3)2,-6.68959549,-1.5819014172,0.0927079349,0.0927079349,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:Co-Fe-Li-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:Co-Fe-Li-O +mp-1980704,Li2Fe(CoO3)2,-6.6647096,-1.5570155272,0.1175938249,0.1175938249,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:Co-Fe-Li-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:Co-Fe-Li-O +mp-1643412,Li2Fe(CoO3)2,-6.6308683386,-1.5231742658,0.1514350863,0.1514350863,GGA+U,P2_1,A2BC2D6_mP22_4_2a_a_2a_6a:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_4_3a_a_2a_10a:Co-Fe-Li-O, expected Li2FeCo3O10 to be Li2Fe(CoO3)2" +mp-1571236,Li2Fe(CoO3)2,-6.7116970077,-1.6040029349,0.0706064172,0.0706064172,GGA+U,C2,A2BC2D6_mC44_5_2a2b_ab_2c_6c:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_5_2a2b_ab_2c_8c:Co-Fe-Li-O, expected Li2Fe(CoO4)2 to be Li2Fe(CoO3)2" +mp-1640067,Li2Fe(CoO3)2,-6.727829515,-1.6201354422,0.0544739099,0.0544739099,GGA+U,C2,A2BC2D6_mC44_5_2a2b_ab_2c_6c:Co-Fe-Li-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:Co-Fe-Li-O +mp-1980018,Li2Fe(CoO3)2,-6.6230016959,-1.5153076231,0.159301729,0.159301729,GGA+U,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:Co-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_9_2a_a_3a_9a:Co-Fe-Li-O, expected Li3FeCo2O9 to be Li2Fe(CoO3)2" +mp-1639830,Li2Fe(CoO3)2,-6.6826507227,-1.5749566499,0.0996527022,0.0996527022,GGA+U,Aea2,A2BC2D6_oC44_41_2a_a_b_3b:Co-Fe-Li-O,22.0,A2BC2D6_oC44_41_2a_a_b_3b:Co-Fe-Li-O +mp-757742,Li2Fe(CoO3)2,-6.7017948068,-1.594100734,0.0805086181,0.0805086181,GGA+U,Cmce,A2BC2D6_oC44_64_d_a_e_fg:Co-Fe-Li-O,22.0,A2BC2D6_oC44_64_d_a_e_fg:Co-Fe-Li-O +mp-1105550,NaTi(SiO3)2,-8.0792183495,-3.1043397857,0.0116235135,0.0116235135,GGA,P-1,AB6C2D_aP20_2_i_6i_2i_i:Na-O-Si-Ti,20.0,"Invalid WP multiplicities - AB6C2D_mC40_15_e_5f_f_e:Na-O-Si-Ti, expected NaTi(SiO5)2 to be NaTi(SiO3)2" +mp-6465,NaTi(SiO3)2,-8.079236468,-3.1043579042,0.011605395,0.011605395,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Na-O-Si-Ti,20.0,"Invalid WP multiplicities - AB6C2D_mC40_15_e_5f_f_e:Na-O-Si-Ti, expected NaTi(SiO5)2 to be NaTi(SiO3)2" +mp-1200505,Na2Ti2Si4O13,-8.1535244774,-3.1799882875,0.0136017863,0.0136017863,GGA,C2/c,A2B13C4D2_mC84_15_f_e6f_2f_f:Na-O-Si-Ti,42.0,A2B13C4D2_mC84_15_f_e6f_2f_f:Na-O-Si-Ti +mp-1201366,Na4SrSi8O23,-7.0730043715,-2.5131160597,0.234285266,0.234285266,GGA,P2/c,A4B23C8D_mP144_13_ef3g_23g_8g_ef:Na-O-Si-Sr,144.0,A4B23C8D_mP144_13_ef3g_23g_8g_ef:Na-O-Si-Sr +mp-1202866,Na4Ti4Si3O22,-6.9921283176,-2.0837896819,0.4914320054,0.4914320054,GGA,R3m,A4B22C3D4_hR99_160_ab_a5bc_b_ab:Na-O-Si-Ti,33.0,A4B22C3D4_hR99_160_ab_a5bc_b_ab:Na-O-Si-Ti +mp-1202699,Na2Ti(SiO4)2,-7.3496384737,-2.6600470618000003,0.1714995945,0.1714995945,GGA,C2/c,A2B8C2D_mC104_15_2ef_8f_2f_f:Na-O-Si-Ti,52.0,A2B8C2D_mC104_15_2ef_8f_2f_f:Na-O-Si-Ti +mp-1428949,Na4Sr(SiO3)3,-6.8574066512,-2.8705979972,0.0477226259,0.0477226259,GGA,P1,A4B9C3D_aP17_1_4a_9a_3a_a:Na-O-Si-Sr,17.0,A4B9C3D_aP17_1_4a_9a_3a_a:Na-O-Si-Sr +mp-1105620,Na4Sr(SiO3)3,-6.8645890441,-2.8777803901,0.0405402329,0.0405402329,GGA,C2,A4B9C3D_mC34_5_abc_a4c_bc_a:Na-O-Si-Sr,17.0,"Invalid WP multiplicities - A4B9C3D_hR51_155_bd_2df_e_a:Na-O-Si-Sr, expected Na4Sr(SiO4)3 to be Na4Sr(SiO3)3" +mp-559773,Na4Sr(SiO3)3,-6.86483697,-2.878028316,0.0402923071,0.0402923071,GGA,R32,A4B9C3D_hR51_155_bd_df_e_a:Na-O-Si-Sr,17.0,"Invalid WP multiplicities - A4B9C3D_hR51_155_bd_2d2f_e_a:Na-O-Si-Sr, expected Na4Sr(SiO6)3 to be Na4Sr(SiO3)3" +mp-1180388,Na2Ti2Si2O11,-7.4236323176,-2.5000884056,0.2915115365,0.2915115365,GGA,P1,A2B11C2D2_aP34_1_4a_22a_4a_4a:Na-O-Si-Ti,34.0,A2B11C2D2_aP34_1_4a_22a_4a_4a:Na-O-Si-Ti +mp-1198063,Na2Ti2Si2O11,-7.4237746797,-2.5002307677,0.2913691744,0.2913691744,GGA,P-1,A2B11C2D2_aP34_2_2i_11i_2i_2i:Na-O-Si-Ti,34.0,A2B11C2D2_aP34_2_2i_11i_2i_2i:Na-O-Si-Ti +mp-1222203,Na16Ti7(SiO5)8,-7.3069843472,-2.8323513683,0.0583719445,0.0583719445,GGA,C2/m,A16B40C8D7_mC142_12_fg2i2j_2i9j_2hj_aij:Na-O-Si-Ti,71.0,"Invalid WP multiplicities - A16B40C8D7_mC142_12_eg4i7j_4i33j_4h2j_aij:Na-O-Si-Ti, expected Na40Ti7(Si4O35)4 to be Na16Ti7(SiO5)8" +mp-5996,Na2Ti2Si2O9,-8.0842712065,-3.1638132677,0.0,-0.0093089155,GGA,Pbcn,A2B9C2D2_oP60_60_d_c4d_d_d:Na-O-Si-Ti,60.0,"Invalid WP multiplicities - A2B9C2D2_oP60_60_d_c8d_d_d:Na-O-Si-Ti, expected Na2Ti2Si2O17 to be Na2Ti2Si2O9" +mp-1221321,Na2Sr(SiO3)2,-7.0789035915,-3.0002388308,0.037230918,0.037230918,GGA,C2/m,A2B6C2D_mC66_12_bcfi_h2i3j_ij_ae:Na-O-Si-Sr,33.0,"Invalid WP multiplicities - A2B6C2D_mC66_12_bcei_2h4i7j_2i3j_af:Na-O-Si-Sr, expected Na6Sr3(Si2O5)8 to be Na2Sr(SiO3)2" +mp-556283,Na2TiSi4O11,-7.9369378019,-3.1227494382,0.01160051,0.01160051,GGA,I4/m,A2B11C4D_tI72_87_h_abh2i_i_e:Na-O-Si-Ti,36.0,"Invalid WP multiplicities - A2B11C4D_tI72_87_h_ab3h12i_i_e:Na-O-Si-Ti, expected Na2TiSi4O55 to be Na2TiSi4O11" +mp-559208,SrTiSi2O7,-8.4025134623,-3.3968368706,0.0152964959,0.0152964959,GGA,Cmcm,A7B2CD_oC44_63_a2ch_f_c_c:O-Si-Sr-Ti,22.0,"Invalid WP multiplicities - A7B2CD_oC44_63_2a4c4h_f_c_c:O-Si-Sr-Ti, expected SrTi(SiO11)2 to be SrTiSi2O7" +mp-1219453,Sr12Ti4Si16O61,-7.5652744374,-2.8296939065,0.265326945,0.265326945,GGA,Cm,A61B16C12D4_mC186_8_11a25b_8b_6a3b_2b:O-Si-Sr-Ti,93.0,"Invalid WP multiplicities - A61B16C12D4_mC186_8_11a43b_15b_6a3b_4b:O-Si-Sr-Ti, expected Sr12Ti8Si30O97 to be Sr12Ti4Si16O61" +mp-2716309,Na4Ti2(SiO4)3,-7.6258343788,-3.020248482,0.0186142226,0.0186142226,GGA,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Na-O-Si-Ti,126.0,A4B12C3D2_hR126_167_be_2f_e_c:Na-O-Si-Ti +mp-1192641,Sr2Ti(SiO4)2,-8.1713560585,-3.4253080067,0.0317885046,0.0317885046,GGA,P4bm,A8B2C2D_tP26_100_abcd_c_c_a:O-Si-Sr-Ti,26.0,A8B2C2D_tP26_100_abcd_c_c_a:O-Si-Sr-Ti +mp-1210298,Na3Sr2Ti3(Si2O9)2,-7.8709216257,-3.1450980337,0.0442180976,0.0442180976,GGA,C2/m,A3B18C4D2E3_mC60_12_ah_3i3j_j_i_bi:Na-O-Si-Sr-Ti,30.0,A3B18C4D2E3_mC60_12_ah_3i3j_j_i_bi:Na-O-Si-Sr-Ti +mp-1180462,NaTi2SiO9,-7.2626061033,-2.1042195065,0.5293234365,0.5293234365,GGA,P4_2/mcm,AB9CD2_tP52_132_f_gijop_e_o:Na-O-Si-Ti,52.0,AB9CD2_tP52_132_f_gijop_e_o:Na-O-Si-Ti +mp-555976,Na2TiSiO5,-7.5201151022,-2.9979701922,0.002697615,-0.0195005946,GGA,Pmc2_1,A2B5CD_oP36_26_abc_ab4c_c_ab:Na-O-Si-Ti,36.0,"Invalid WP multiplicities - A2B5CD_oP36_26_2ab3c_2a2b14c_c_a2b:Na-O-Si-Ti, expected Na9Ti3(SiO16)2 to be Na2TiSiO5" +mp-621926,Na2TiSiO5,-7.4412706043,-2.9191256943,0.0815421129,0.0593439033,GGA,P4_2/m,A2B5CD_tP72_84_2jk_2j4k_efi_2j:Na-O-Si-Ti,72.0,"Invalid WP multiplicities - A2B5CD_tP72_84_7j5k_8j31k_ef2i_8j:Na-O-Si-Ti, expected Na17Ti8Si3O70 to be Na2TiSiO5" +mp-6138,Na2TiSiO5,-7.5228127172,-3.0006678072,0.0,-0.0221982096,GGA,P4/nmm,A2B5CD_tP18_129_d_ci_b_c:Na-O-Si-Ti,18.0,A2B5CD_tP18_129_d_ci_b_c:Na-O-Si-Ti +mp-1204561,Sr3TiSi4O15,-7.6865970974,-2.9533112206,0.1753511618,0.1753511618,GGA,P2_1/m,A15B4C3D_mP46_11_5e5f_2f_3e_a:O-Si-Sr-Ti,46.0,A15B4C3D_mP46_11_5e5f_2f_3e_a:O-Si-Sr-Ti +mp-558553,Sr4Ti5(Si2O11)2,-8.5199379314,-3.4695419982,0.0,-0.0012897329,GGA,C2/m,A22B4C4D5_mC70_12_5i3j_2i_2i_ahi:O-Si-Sr-Ti,35.0,"Invalid WP multiplicities - A22B4C4D5_mC70_12_9i11j_3i_4i_a2h2i:O-Si-Sr-Ti, expected Sr8Ti9(Si3O31)2 to be Sr4Ti5(Si2O11)2" +mp-1228233,Ba3ZnIrRuO9,-6.8232190930000005,-2.1799055229,0.0,-0.0056782922,GGA,P-3m1,A3BC9DE_hP30_164_c2d_d_3i_d_ab:Ba-Ir-O-Ru-Zn,30.0,A3BC9DE_hP30_164_c2d_d_3i_d_ab:Ba-Ir-O-Ru-Zn +mp-542939,Ba3ZnIr2O9,-6.7280694127,-2.1138203999,0.0,-0.0454871812,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Zn,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_194_2b2f_f_5h4k_a:Ba-Ir-O-Zn, expected Ba6ZnIr2O39 to be Ba3ZnIr2O9" +mp-17137,Ba3ZnRu2O9,-6.907012189,-2.2346340616,0.0,-0.0610369106,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Zn,30.0,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Zn +mp-1202499,BaZnRu5O11,-7.4024809554,-1.626686118,0.0312215731,0.0312215731,GGA,P6_3/m,AB11C5D_hP144_176_ch_f4h5i_e3i_dh:Ba-O-Ru-Zn,144.0,AB11C5D_hP144_176_ch_f4h5i_e3i_dh:Ba-O-Ru-Zn +mp-1226705,CdTe2Pb,-3.257121205,-0.5265840508,0.1164418625,0.1164418625,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Cd-Pb-Te,4.0,ABC2_tP4_123_a_d_bc:Cd-Pb-Te +mp-1203009,CdTe(Pb3O5)2,-5.7326460411,-1.5210368641,0.0,-0.005006782,GGA,C222_1,AB10C6D_oC72_20_a_5c_ab2c_b:Cd-O-Pb-Te,36.0,AB10C6D_oC72_20_a_5c_ab2c_b:Cd-O-Pb-Te +mp-1204674,Ni9Te5(PbO5)6,-6.2419045403,-1.4736184734,0.0,-0.0210666598,GGA+U,P6_322,A9B30C6D5_hP100_182_bf2h_5i_2g_fh:Ni-O-Pb-Te,100.0,A9B30C6D5_hP100_182_bf2h_5i_2g_fh:Ni-O-Pb-Te +mp-1226837,Cd4Te5Pb,-2.905592948,-0.5935193903,0.065276161,0.065276161,GGA,Imm2,A4BC5_oI20_44_2c_a_b2c:Cd-Pb-Te,10.0,"Invalid WP multiplicities - A4BC5_oI20_44_3c_a_b3c:Cd-Pb-Te, expected Cd6Te7Pb to be Cd4Te5Pb" +mp-1194532,Cd2Ni6Te3PbO18,-6.0660877643,-1.4424357259,0.0,-0.0044456911,GGA+U,P6_3/m,A2B6C18DE3_hP60_176_f_i_2h2i_b_h:Cd-Ni-O-Pb-Te,60.0,A2B6C18DE3_hP60_176_f_i_2h2i_b_h:Cd-Ni-O-Pb-Te +mp-1521073,SrNdHf4O12,-9.30594385,-3.4366848755,0.1795068502,0.1795068502,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Hf-Nd-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Hf-Nd-O-Sr, expected SrNdHf4O18 to be SrNdHf4O12" +mp-1521236,SrNdHf2O6,-9.26589993,-3.6606848087,0.1249861879,0.1249861879,GGA,Cmmm,A2BC6D_oC20_65_f_a_ehj_b:Hf-Nd-O-Sr,10.0,A2BC6D_oC20_65_f_a_ehj_b:Hf-Nd-O-Sr +mp-18296,Ba5Dy8Zn4O21,-7.3396995721,-3.2510520248,0.007140439,0.007140439,GGA,I4/m,A5B8C21D4_tI76_87_ah_2h_bh2i_h:Ba-Dy-O-Zn,38.0,"Invalid WP multiplicities - A5B8C21D4_tI76_87_ah_2h_b2h2i_h:Ba-Dy-O-Zn, expected Ba5Dy8Zn4O25 to be Ba5Dy8Zn4O21" +mp-1214436,Ba8Dy3(Pt2O9)2,-6.9741944067,-2.6561007666,0.0,-0.0071851628,GGA,Pm-3m,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Dy-O-Pt,33.0,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Dy-O-Pt +mp-6643,BaDy2ZnO5,-7.3889606106,-3.2638788565,0.0157282424,0.0157282424,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Dy-O-Zn,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Ba-Dy-O-Zn, expected BaDy4ZnO5 to be BaDy2ZnO5" +mp-555356,Ba13Dy8Zn4Pt4O37,-6.9906445342,-2.836826974,0.0,-0.0118100423,GGA,I4/m,A13B8C37D4E4_tI132_87_a3h_2h_b3h3i_h_h:Ba-Dy-O-Pt-Zn,66.0,"Invalid WP multiplicities - A13B8C37D4E4_tI132_87_a8h_5h_b11h21i_h_h:Ba-Dy-O-Pt-Zn, expected Ba33Dy20Zn4Pt4O213 to be Ba13Dy8Zn4Pt4O37" +mp-1184070,Dy2ZnPt,-4.9292444575,-0.793131805,0.0268968881,0.0268968881,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Pt-Zn,4.0,A2BC_cF16_225_c_a_b:Dy-Pt-Zn +mp-556377,Ba17Dy16Zn8Pt4O57,-7.1335018611,-2.9898263501,0.0032759621,0.0032759621,GGA,I4/m,A17B16C57D4E8_tI204_87_a4h_4h_b4h5i_h_2h:Ba-Dy-O-Pt-Zn,102.0,"Invalid WP multiplicities - A17B16C57D4E8_tI204_87_a12h_14h_b14h37i_h_4h:Ba-Dy-O-Pt-Zn, expected Ba49Dy56Zn16Pt4O353 to be Ba17Dy16Zn8Pt4O57" +mp-1045211,Mo3Se2ClO8,-7.1242738757,-1.3420724732,0.2869299058,0.2869299058,GGA+U,P1,AB3C8D2_aP28_1_2a_6a_16a_4a:Cl-Mo-O-Se,28.0,AB3C8D2_aP28_1_2a_6a_16a_4a:Cl-Mo-O-Se +mp-671913,MoSe2Cl4O,-4.6944411859,-0.9221526339,0.1656144673,0.1656144673,GGA+U,P2_1/c,A4BCD2_mP64_14_8e_2e_2e_4e:Cl-Mo-O-Se,64.0,"Invalid WP multiplicities - A4BCD2_mP64_14_29e_7e_6e_14e:Cl-Mo-O-Se, expected Mo7Se14Cl29O6 to be MoSe2Cl4O" +mp-683684,MoSe2Cl4O,-4.7966601216,-1.0243715695,0.0633955316,0.0633955316,GGA+U,P2_1/c,A4BCD2_mP128_14_16e_4e_4e_8e:Cl-Mo-O-Se,128.0,"Invalid WP multiplicities - A4BCD2_mP128_14_60e_11e_15e_29e:Cl-Mo-O-Se, expected Mo11Se29(Cl4O)15 to be MoSe2Cl4O" +mp-554217,HfMo2Se8(Cl7O)2,-4.6628810635,-1.1299672956,0.0772807737,0.0772807737,GGA+U,P2_1/c,A14BC2D2E8_mP54_14_7e_a_e_e_4e:Cl-Hf-Mo-O-Se,54.0,"Invalid WP multiplicities - A14BC2D2E8_mP54_14_25e_a_e_e_9e:Cl-Hf-Mo-O-Se, expected HfMo2Se18(Cl25O)2 to be HfMo2Se8(Cl7O)2" +mp-1224584,Hf15Mo11Se2,-9.9922981354,-0.1475906491,0.1623945497,0.1623945497,GGA,P-6m2,A15B11C2_hP28_187_j2n_ij2k_ad:Hf-Mo-Se,28.0,"Invalid WP multiplicities - A15B11C2_hP28_187_j3n_ij2k_ad:Hf-Mo-Se, expected Hf21Mo11Se2 to be Hf15Mo11Se2" +mp-1212479,Hf9Mo4Se,-10.0333015979,-0.2837863702,0.0,-0.0031406343,GGA,P6_3/mmc,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Se,28.0,A9B4C_hP28_194_hk_ah_c:Hf-Mo-Se +mp-631294,HfMoSe,-7.6169125667,0.4826709726,1.4065179014,1.4065179014,GGA,F-43m,ABC_cF12_216_c_a_b:Hf-Mo-Se,3.0,ABC_cF12_216_c_a_b:Hf-Mo-Se +mp-557464,MoSeCl7O,-4.353922263,-1.1311215711,0.0326182026,0.0326182026,GGA+U,P-1,A7BCD_aP20_2_7i_i_i_i:Cl-Mo-O-Se,20.0,"Invalid WP multiplicities - A7BCD_aP20_2_14i_i_i_i:Cl-Mo-O-Se, expected MoSeCl14O to be MoSeCl7O" +mp-753769,Sr3Li3La5O12,-7.3968023091,-3.2735175691,0.0387342533,0.0387342533,GGA,Pm,A5B3C12D3_mP23_6_2a3b_2ab_6a6b_2ab:La-Li-O-Sr,23.0,A5B3C12D3_mP23_6_2a3b_2ab_6a6b_2ab:La-Li-O-Sr +mp-761869,Sr3Li3La5O12,-7.3978641672,-3.2745794272,0.0376723952,0.0376723952,GGA,Pm,A5B3C12D3_mP69_6_2a3b5c_a2b3c_6a6b12c_2ab3c:La-Li-O-Sr,69.0,"Invalid WP multiplicities - A5B3C12D3_mP69_6_2a3b8c_a2b5c_6a6b14c_2ab4c:La-Li-O-Sr, expected Sr11Li13La21O40 to be Sr3Li3La5O12" +mp-557028,Sr2LaTa3O11,-9.3402018865,-3.5577370203000003,0.0198034478,0.0198034478,GGA,Immm,AB11C2D3_oI34_71_a_ce2m_f_bf:La-O-Sr-Ta,17.0,"Invalid WP multiplicities - AB11C2D3_oI34_71_a_ce4m_f_bf:La-O-Sr-Ta, expected Sr2LaTa3O19 to be Sr2LaTa3O11" +mp-559776,Li5La3Ta2O12,-7.835564521,-2.95245291,0.2944123635,0.2944123635,GGA,Ia-3d,A3B5C12D2_cI176_230_c_bd_h_a:La-Li-O-Ta,88.0,"Invalid WP multiplicities - A3B5C12D2_cI176_230_c_4b4d_h_a:La-Li-O-Ta, expected Li20La3Ta2O12 to be Li5La3Ta2O12" +mp-1205692,Sr2LaTaO6,-8.388687447,-3.4033970561,0.1361450091,0.1361450091,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:La-O-Sr-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:La-O-Sr-Ta +mp-1208758,Sr3Li6Ta2O11,-7.2425616582,-2.9402367198,0.0,-0.0081064448,GGA,Pmma,A6B11C3D2_oP44_51_g2k_eijkl_fh_be:Li-O-Sr-Ta,44.0,A6B11C3D2_oP44_51_g2k_eijkl_fh_be:Li-O-Sr-Ta +mp-1235222,Sr2LiLaTaO6,-7.6485449527,-2.9429243367,0.334529541,0.334529541,GGA,Immm,ABC6D2E_oI22_71_a_c_el_f_b:La-Li-O-Sr-Ta,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_a_c_e2l_f_b:La-Li-O-Sr-Ta, expected Sr2LiLaTaO10 to be Sr2LiLaTaO6" +mp-1235205,Sr2LiLaTaO6,-7.7905950573,-3.0849744413,0.1924794364,0.1924794364,GGA,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:La-Li-O-Sr-Ta,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_5b_2a_a:La-Li-O-Sr-Ta, expected Sr2LiLaTaO15 to be Sr2LiLaTaO6" +mp-1236131,Sr2LiLaTaO6,-7.69249991,-2.986879294,0.2905745837,0.2905745837,GGA,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:La-Li-O-Sr-Ta,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_5b_2a_a:La-Li-O-Sr-Ta, expected Sr2LiLaTaO15 to be Sr2LiLaTaO6" +mp-1190486,Sr3LiTaO6,-7.6199430686,-3.2094600573,0.0,-0.0184600026,GGA,R-3c,AB6C3D_hR66_167_a_f_e_b:Li-O-Sr-Ta,22.0,AB6C3D_hR66_167_a_f_e_b:Li-O-Sr-Ta +mp-756936,Sr3Li4La5O12,-7.1706386954,-3.1396190335,0.0352600474,0.0352600474,GGA,Pm,A5B4C12D3_mP24_6_2a3b_2a2b_6a6b_2ab:La-Li-O-Sr,24.0,A5B4C12D3_mP24_6_2a3b_2a2b_6a6b_2ab:La-Li-O-Sr +mp-1218499,Sr3LaTa3O12,-9.0288848411,-3.5058277416,0.0500679169,0.0500679169,GGA,R3m,AB12C3D3_hR57_160_a_4b_3a_3a:La-O-Sr-Ta,19.0,AB12C3D3_hR57_160_a_4b_3a_3a:La-O-Sr-Ta +mp-1222361,LiLaTa2O7,-9.3041822845,-3.3780635381,0.0702092802,0.0702092802,GGA,I-4m2,ABC7D2_tI22_119_a_c_be2f_e:La-Li-O-Ta,11.0,"Invalid WP multiplicities - ABC7D2_tI22_119_a_c_be3f_e:La-Li-O-Ta, expected LiLaTa2O9 to be LiLaTa2O7" +mp-558054,SrLi2Ta2O7,-8.5331076546,-3.2122980358,0.0,-0.0019610685,GGA,Cmcm,A2B7CD2_oC48_63_e_c2eg_c_g:Li-O-Sr-Ta,24.0,"Invalid WP multiplicities - A2B7CD2_oC48_63_e_2c7e4g_c_g:Li-O-Sr-Ta, expected SrLi2Ta2O24 to be SrLi2Ta2O7" +mp-6259,SrLi2Ta2O7,-8.5310988017,-3.2102891829,0.0020088529,4.77844e-05,GGA,I4/mmm,A2B7CD2_tI24_139_d_aeg_b_e:Li-O-Sr-Ta,12.0,A2B7CD2_tI24_139_d_aeg_b_e:Li-O-Sr-Ta +mp-15901,Li2LaTa2O7,-8.8076196433,-3.2162672202,0.0426995797,0.0426995797,GGA,I4/mmm,AB2C7D2_tI24_139_a_d_beg_e:La-Li-O-Ta,12.0,"Invalid WP multiplicities - AB2C7D2_tI24_139_a_d_b2eg_e:La-Li-O-Ta, expected Li2LaTa2O9 to be Li2LaTa2O7" +mp-1218960,Sn2SeS,-4.5829936875,-0.6701174239000001,0.00874949,0.00874949,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:S-Se-Sn,8.0,ABC2_oP8_26_a_b_ab:S-Se-Sn +mp-1219003,Sn2SeS2,-4.633258068,-0.6756670837000001,0.0178014695,0.0178014695,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:S-Se-Sn,20.0,A2BC2_oP20_62_2c_c_2c:S-Se-Sn +mp-1218912,SnSeS,-4.54669952,-0.6660551202,0.015866875,0.015866875,GGA,P3m1,ABC_hP3_156_a_b_c:S-Se-Sn,3.0,ABC_hP3_156_a_b_c:S-Se-Sn +mp-1226317,CrAgSn(SeS)2,-5.2369232107,-0.6997949225,0.0117799406,0.0117799406,GGA,Imm2,ABC2D2E_oI28_44_ab_c_cd_cd_d:Ag-Cr-S-Se-Sn,14.0,ABC2D2E_oI28_44_ab_c_cd_cd_d:Ag-Cr-S-Se-Sn +mp-1226303,CrAgSnSe4,-5.0163014671,-0.6621841473,0.0,-0.0250676856,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Ag-Cr-Se-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Ag-Cr-Se-Sn, expected CrAgSnSe8 to be CrAgSnSe4" +mp-1226291,CrAgSnS4,-5.4809316786,-0.7607924220000001,0.0,-0.038747959,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Ag-Cr-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Ag-Cr-S-Sn, expected CrAgSnS8 to be CrAgSnS4" +mp-1520523,BaSrTbSbO6,-7.2842597065,-3.0790629064,0.0,-0.011815865,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_i_be:Ba-O-Sb-Sr-Tb,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_i_be:Ba-O-Sb-Sr-Tb, expected BaSrTbSbO12 to be BaSrTbSbO6" +mp-1520387,BaSrTbSbO6,-7.2832137885,-3.0780169884,0.001045918,-0.010769947,GGA,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sb-Sr-Tb,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sb-Sr-Tb +mp-1520471,BaSrTbSbO6,-7.269288659,-3.0640918589,0.0149710475,0.0031551825,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sr-Tb +mp-6265,Ba2TbSbO6,-7.313260506,-3.0851155573,0.0,-0.1014919406,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Tb +mp-1228297,Ba3DyIrRuO9,-7.45591387,-2.5894640846,0.0,-0.0438750238,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_a_b_3c_b:Ba-Dy-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_a_b_5c_b:Ba-Dy-Ir-O-Ru, expected Ba5DyIrRuO15 to be Ba3DyIrRuO9" +mp-541720,Ba3DyRu2O9,-7.5300325647,-2.6345182219,0.0,-0.0601481795,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Dy-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Dy-O-Ru +mp-865219,Dy2IrRu,-7.4469170125,-0.6153144125000001,0.0166992846,0.0166992846,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Dy-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Dy-Ir-Ru +mp-1516939,BaNaHfBiO6,-7.299439461,-2.6275083949,0.063616727,0.063616727,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Hf-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Hf-Na-O +mp-643105,Ba3NaBiO6,-5.5515464286,-1.8606308367,0.5822736441,0.4776442556,GGA,C2/c,A3BCD6_mC44_15_ef_a_e_3f:Ba-Bi-Na-O,22.0,"Invalid WP multiplicities - A3BCD6_mC44_15_2e3f_c_e_12f:Ba-Bi-Na-O, expected Ba8NaBiO24 to be Ba3NaBiO6" +mp-556316,Ba3NaBiO6,-6.1338200727,-2.4429044808,0.0,-0.1046293885,GGA,R-3c,A3BCD6_hR66_167_e_b_a_f:Ba-Bi-Na-O,22.0,A3BCD6_hR66_167_e_b_a_f:Ba-Bi-Na-O +mp-31235,BaNaBi,-3.1391238789,-0.7784607577,0.0,-0.0960737544,GGA,P-62m,ABC_hP9_189_f_ad_g:Ba-Bi-Na,9.0,ABC_hP9_189_f_ad_g:Ba-Bi-Na +mp-559352,Ba4Na(BiO4)3,-6.1856220445,-2.1916141956,0.0,-0.0302471642,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Bi-Na-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_3d4e:Ba-Bi-Na-O, expected Ba4Na(BiO14)3 to be Ba4Na(BiO4)3" +mp-1173622,Pr5Te7MoCl3O23,-6.8881104519,-2.3734240294,0.0,-0.0218537259,GGA+U,C2,A3BC23D5E7_mC156_5_2a2bc_c_23c_2a4c_7c:Cl-Mo-O-Pr-Te,78.0,"Invalid WP multiplicities - A3BC23D5E7_mC156_5_2a2bc_c_33c_2a6c_10c:Cl-Mo-O-Pr-Te, expected Pr7Te10Mo(ClO11)3 to be Pr5Te7MoCl3O23" +mp-541868,Te3MoCl16,-3.6439830112,-1.1513752937,0.0014320496,0.0014320496,GGA,Cmc2_1,A16BC3_oC80_36_4a6b_a_ab:Cl-Mo-Te,40.0,A16BC3_oC80_36_4a6b_a_ab:Cl-Mo-Te +mp-1018941,PrTeCl,-5.4388216717,-2.1812389022,0.0,-0.004463391,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-Pr-Te,6.0,ABC_tP6_129_a_c_c:Cl-Pr-Te +mp-616455,TeMoCl7O,-4.4480248028,-1.2604846693,0.0342791254,0.0342791254,GGA+U,P2_1/c,A7BCD_mP40_14_7e_e_e_e:Cl-Mo-O-Te,40.0,"Invalid WP multiplicities - A7BCD_mP40_14_28e_e_e_e:Cl-Mo-O-Te, expected TeMoCl28O to be TeMoCl7O" +mp-541756,Te2MoCl12,-3.7787487698,-1.1577686487,0.0126446252,0.0126446252,GGA,R-3,A12BC2_hR135_148_6f_ac_f:Cl-Mo-Te,45.0,A12BC2_hR135_148_6f_ac_f:Cl-Mo-Te +mp-556092,Pr2Te4MoO14,-7.09248427,-2.2241829771,0.0,-0.0057220442,GGA+U,P-1,AB14C2D4_aP42_2_i_14i_2i_4i:Mo-O-Pr-Te,42.0,"Invalid WP multiplicities - AB14C2D4_aP42_2_i_28i_3i_6i:Mo-O-Pr-Te, expected Pr3Te6MoO28 to be Pr2Te4MoO14" +mp-554135,Te2MoCl4O,-4.7459252706,-1.0617881146,0.1092881608,0.1092881608,GGA+U,P2_1/c,A4BCD2_mP32_14_4e_e_e_2e:Cl-Mo-O-Te,32.0,"Invalid WP multiplicities - A4BCD2_mP32_14_16e_e_e_5e:Cl-Mo-O-Te, expected Te5MoCl16O to be Te2MoCl4O" +mp-1197647,PrMoClO4,-7.9780235186,-2.6549024657,2.16052e-05,2.16052e-05,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cl-Mo-O-Pr,56.0,ABC4D_mP56_14_2e_2e_8e_2e:Cl-Mo-O-Pr +mp-1221745,Pr2Te(Mo3O23)2,-6.3943266582,-0.8429321349000001,0.4879366812,0.4879366812,GGA+U,P-1,A6B46C2D_aP55_2_3i_23i_i_a:Mo-O-Pr-Te,55.0,A6B46C2D_aP55_2_3i_23i_i_a:Mo-O-Pr-Te +mp-1217517,Te15Mo2(Cl6O)2,-3.9644566955,-0.7090790838000001,0.0756539899,0.0756539899,GGA+U,P1,A12B2C2D15_aP31_1_12a_2a_2a_15a:Cl-Mo-O-Te,31.0,A12B2C2D15_aP31_1_12a_2a_2a_15a:Cl-Mo-O-Te +mp-1218258,SrLa3CoNiO8,-7.84537415,-2.9196970833,0.0225975733,0.0225975733,GGA+U,Amm2,AB3CD8E_oC28_38_b_a2b_a_2a2bf_a:Co-La-Ni-O-Sr,14.0,AB3CD8E_oC28_38_b_a2b_a_2a2bf_a:Co-La-Ni-O-Sr +mp-1218450,Sr3La(NiO4)2,-6.8041925607,-2.4371732382,0.0,-0.0051885852,GGA+U,Amm2,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:La-Ni-O-Sr,14.0,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:La-Ni-O-Sr +mp-1218178,SrLaNiO4,-7.26221377,-2.6633006152,0.0063057971,0.000147032,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:La-Ni-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:La-Ni-O-Sr, expected SrLaNiO6 to be SrLaNiO4" +mp-1218155,SrLaNiO4,-7.2685195671,-2.6696064124000003,0.0,-0.0061587652,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:La-Ni-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:La-Ni-O-Sr +mp-1218254,SrLa3(NiO4)2,-7.7120915236,-2.8812845365,0.0115169022,0.0115169022,GGA+U,Amm2,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:La-Ni-O-Sr,14.0,A3B2C8D_oC28_38_a2b_ab_2a2bf_a:La-Ni-O-Sr +mp-1275360,La2CoNiO6,-7.7794089425,-2.5353488472,0.0406831365,0.0037398505,GGA+U,P-1,AB2CD6_aP10_2_b_i_e_3i:Co-La-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_aP20_2_ah_4i_be_12i:Co-La-Ni-O, expected La4CoNiO12 to be La2CoNiO6" +mp-1223259,La2CoNiO6,-7.820092079,-2.5760319838,0.0,-0.036943286,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Co-La-Ni-O,10.0,AB2CD6_hR30_148_a_c_b_f:Co-La-Ni-O +mp-1043030,CaSn(GeO3)2,-6.7689420262,-2.274806055,0.0624367384,0.0624367384,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-Sn,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-Sn +mp-1042953,CaSn(GeO3)2,-6.7660429285,-2.2719069572,0.0653358362,0.0653358362,GGA,C2/c,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-Sn,20.0,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-Sn +mp-1334680,Ca3Sn2(GeO4)3,-6.8325191155,-2.469254543,0.0733893503,0.0733893503,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sn,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sn +mp-1078274,Ca2SnGe2,-4.001534846,-0.548169381,0.0095131953,0.0095131953,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ca-Ge-Sn,10.0,A2B2C_tP10_127_h_g_a:Ca-Ge-Sn +mp-1410247,La2ZnCrO6,-7.942438012,-2.8959442562,0.0814309054,0.0814309054,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Cr-La-O-Zn,10.0,AB2C6D_hR30_148_a_c_f_b:Cr-La-O-Zn +mp-1662022,Ta2Zn2CrO8,-8.4535359446,-2.6487975108,0.0403370747,0.0403370747,GGA+U,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:Cr-O-Ta-Zn,52.0,"Invalid WP multiplicities - AB8C2D2_aP26_2_i_15i_4i_4i:Cr-O-Ta-Zn, expected Ta4Zn4CrO15 to be Ta2Zn2CrO8" +mp-1046112,Ta2Zn2CrO8,-8.4484229065,-2.6436844727,0.0454501128,0.0454501128,GGA+U,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Cr-O-Ta-Zn,26.0,"Invalid WP multiplicities - AB8C2D2_mC52_15_e_5f_f_f:Cr-O-Ta-Zn, expected Ta2Zn2CrO10 to be Ta2Zn2CrO8" +mp-1326240,TaZn2CrO6,-7.768045285,-2.3970008262,0.1126310905,0.1126310905,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Cr-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Cr-O-Ta-Zn, expected TaZn3CrO18 to be TaZn2CrO6" +mp-1049235,LaTaZnCrO6,-8.61592194,-2.8772511317,0.149160914,0.149160914,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Cr-La-O-Ta-Zn,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Cr-La-O-Ta-Zn, expected LaTaZnCrO12 to be LaTaZnCrO6" +mp-1040853,LaTaCrO6,-9.2627644956,-3.0264351097,0.1332190603,0.1332190603,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Ta,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Ta +mp-1049221,LaZnCr2O6,-7.971573763,-2.4533759708,0.1694629708,0.1694629708,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Cr-La-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Cr-La-O-Zn, expected LaZnCr2O12 to be LaZnCr2O6" +mp-646670,Ba2Co4ClO7,-6.75463832,-1.8441684129,0.032956619,0.032956619,GGA+U,R-3m,A2BC4D7_hR84_166_2c_c_a2ce_c2h:Ba-Cl-Co-O,28.0,"Invalid WP multiplicities - A2BC4D7_hR84_166_2c_c_a4ce_2c8h:Ba-Cl-Co-O, expected Ba2Co6ClO26 to be Ba2Co4ClO7" +mp-1228260,Ba6Mn4Co2ClO16,-7.3248172162,-2.3808826494,0.0051440956,0.0051440956,GGA+U,Amm2,A6BC2D4E16_oC58_38_ab2c_a_c_2c_ab2ce2f:Ba-Cl-Co-Mn-O,29.0,"Invalid WP multiplicities - A6BC2D4E16_oC58_38_ab2c_a_c_2c_ab4ce5f:Ba-Cl-Co-Mn-O, expected Ba6Mn4Co2ClO32 to be Ba6Mn4Co2ClO16" +mp-1228475,Ba5Mn(Co2O7)2,-6.9914716023,-2.1396464719,0.0209923465,0.0209923465,GGA+U,P2_1/m,A5B4CD14_mP48_11_5e_4e_e_6e4f:Ba-Co-Mn-O,48.0,"Invalid WP multiplicities - A5B4CD14_mP48_11_9e_6e_e_12e16f:Ba-Co-Mn-O, expected Ba9Mn(Co3O22)2 to be Ba5Mn(Co2O7)2" +mp-23580,Ba5Co5ClO13,-6.6914935273000005,-2.0543287947,0.0429940958,0.0429940958,GGA+U,P6_3/mmc,A5BC5D13_hP48_194_b2f_c_aef_d2k:Ba-Cl-Co-O,48.0,"Invalid WP multiplicities - A5BC5D13_hP48_194_b2f_c_2ae3f_d2k:Ba-Cl-Co-O, expected Ba5Co10ClO13 to be Ba5Co5ClO13" +mp-560883,Ba5Mn3ClO12,-7.1771808857,-2.4967179442000003,0.0,-0.0299130713,GGA+U,P6_3/m,A5BC3D12_hP42_176_fh_b_h_2hi:Ba-Cl-Mn-O,42.0,"Invalid WP multiplicities - A5BC3D12_hP42_176_3f4h_b_h_10h8i:Ba-Cl-Mn-O, expected Ba18Mn3ClO78 to be Ba5Mn3ClO12" +mp-29812,Ba2CoCl6,-4.7182870978,-2.2696773606,0.0364141489,0.0364141489,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ba-Cl-Co,36.0,A2B6C_mP36_14_2e_6e_e:Ba-Cl-Co +mp-1228330,Ba8Mn6Co2ClO22,-7.4117184559,-2.4061744772,0.0047403423,0.0047403423,GGA+U,Amm2,A8BC2D6E22_oC78_38_ab3c_a_c_3c_ab3ce3f:Ba-Cl-Co-Mn-O,39.0,"Invalid WP multiplicities - A8BC2D6E22_oC78_38_ab3c_a_c_3c_ab6c2e8f:Ba-Cl-Co-Mn-O, expected Ba8Mn6Co2ClO50 to be Ba8Mn6Co2ClO22" +mp-1105414,La2MnCoO6,-8.337960441,-2.7557124845,0.4718047625,0.1611863141,GGA+U,C2/m,AB2CD6_mC20_12_a_i_d_ij:Co-La-Mn-O,10.0,AB2CD6_mC20_12_a_i_d_ij:Co-La-Mn-O +mp-19208,La2MnCoO6,-8.8097652035,-3.227517247,0.0,-0.3106184484,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-La-Mn-O,20.0,AB2CD6_mP20_14_a_e_d_3e:Co-La-Mn-O +mp-1188521,La5CoPb3,-5.2638953267,-0.4943070456,0.017650232,0.017650232,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:Co-La-Pb,18.0,AB5C3_hP18_193_b_dg_g:Co-La-Pb +mp-743770,La4Mn5Co(PbO9)2,-8.1391813483,-2.5015775611,0.2289133855,0.2289133855,GGA+U,P1,AB4C5D18E2_aP30_1_a_4a_5a_18a_2a:Co-La-Mn-O-Pb,30.0,AB4C5D18E2_aP30_1_a_4a_5a_18a_2a:Co-La-Mn-O-Pb +mp-1197673,La6Co13Pb,-6.4270994422,-0.1402583905,0.0,-0.0074478006,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Co-La-Pb,40.0,A13B6C_tI80_140_dk2l_fl_a:Co-La-Pb +mp-1211847,La12Co6Pb,-5.75032267,-0.1927100858,0.0,-0.029695052,GGA,Im-3,A6B12C_cI38_204_e_g_a:Co-La-Pb,19.0,A6B12C_cI38_204_e_g_a:Co-La-Pb +mp-705288,La5Mn7Co(PbO8)3,-8.1043471575,-2.4598238914,0.2085387676,0.2085387676,GGA+U,P1,AB5C7D24E3_aP40_1_a_5a_7a_24a_3a:Co-La-Mn-O-Pb,40.0,AB5C7D24E3_aP40_1_a_5a_7a_24a_3a:Co-La-Mn-O-Pb +mp-579071,BaEu2Mn2O7,-9.0012317254,-2.7192458835,0.0023209879,-0.0125513641,GGA+U,Cmcm,AB2C2D7_oC48_63_c_g_g_c2eg:Ba-Eu-Mn-O,24.0,"Invalid WP multiplicities - AB2C2D7_oC48_63_c_g_g_2c6e3g:Ba-Eu-Mn-O, expected BaEu2Mn2O20 to be BaEu2Mn2O7" +mp-1183437,BaEu2Mn2O7,-9.0035527133,-2.7215668714,0.0,-0.014872352,GGA+U,I4/mmm,AB2C2D7_tI24_139_a_e_e_beg:Ba-Eu-Mn-O,12.0,AB2C2D7_tI24_139_a_e_e_beg:Ba-Eu-Mn-O +mp-1519543,BaNaEuMnO6,-7.350198221,-2.1161332617,0.2117468832,0.2117468832,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Mn-Na-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Mn-Na-O +mp-1518262,Na2EuMnO6,-6.6264141128,-1.4519941181,0.4985613413,0.4985613413,GGA+U,Pn-3,ABC2D6_cP40_201_b_c_ad_h:Eu-Mn-Na-O,,ABC2D6_cP40_201_b_c_ad_h:Eu-Mn-Na-O +mp-1518085,Na2EuMnO6,-6.924073648,-1.7496536534,0.200901806,0.200901806,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Eu-Mn-Na-O,10.0,ABC2D6_cF40_225_a_b_c_e:Eu-Mn-Na-O +mp-1519587,NaEuMn4O12,-7.5698176628,-1.5927147296,0.2726766509,0.2726766509,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Mn-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Mn-Na-O, expected NaEuMn4O18 to be NaEuMn4O12" +mp-1236275,LiPrNdO2,-6.061207814,-1.7909371187,0.7228615780000001,0.7228615780000001,GGA,C2/m,ABC2D_mC10_12_a_c_i_b:Li-Nd-O-Pr,5.0,ABC2D_mC10_12_b_c_i_a:Li-Nd-O-Pr +mp-1236682,LiPrNdO2,-6.05510067,-1.7848299747,0.7289687220000001,0.7289687220000001,GGA,C2/m,ABC2D_mC10_12_a_b_i_c:Li-Nd-O-Pr,5.0,ABC2D_mC10_12_b_a_i_c:Li-Nd-O-Pr +mp-1236322,LiPrNdO2,-6.502146662,-2.2318759667,0.28192273,0.28192273,GGA,R3m,ABC2D_hR15_160_a_a_2a_a:Li-Nd-O-Pr,5.0,ABC2D_hR15_160_a_a_2a_a:Li-Nd-O-Pr +mp-1236395,LiPrNdO2,-6.55593608,-2.2856653847,0.228133312,0.228133312,GGA,R3m,ABC2D_hR15_160_a_a_2a_a:Li-Nd-O-Pr,5.0,ABC2D_hR15_160_a_a_2a_a:Li-Nd-O-Pr +mp-554817,Ba3CaSb2O9,-6.7991068497,-2.7630584776,0.0,-0.0792797945,GGA,C2/c,A3BC9D2_mC60_15_ef_a_e4f_f:Ba-Ca-O-Sb,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_2ef_c_2e14f_f:Ba-Ca-O-Sb, expected Ba4Ca(SbO15)2 to be Ba3CaSb2O9" +mp-1043686,CaBiSbO5,-6.533002375,-2.1944356492,0.109275415,0.109275415,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-Sb,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-Sb, expected CaBiSbO15 to be CaBiSbO5" +mp-1042360,CaBiSbO5,-6.5565013442,-2.2179346184,0.0857764458,0.0857764458,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-Sb,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-Sb, expected CaBiSbO31 to be CaBiSbO5" +mp-1522525,BaCaBiSbO6,-6.6005413767,-2.443121631,0.0555965503,0.0555965503,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Sb,40.0,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Sb +mp-1522558,BaCaBiSbO6,-6.494959084,-2.3375393383,0.1611788431,0.1611788431,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Sb +mp-1047093,BaCa(SbO2)4,-6.3013820121,-2.0146613357,0.2225007841,0.2225007841,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Sb,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Sb +mp-1013704,Ca3BiSb,-3.29573292,-0.498474918,0.4590146441,0.4590146441,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-Ca-Sb,5.0,AB3C_cP5_221_b_c_a:Bi-Ca-Sb +mp-1013733,Ca3BiSb,-3.452892968,-0.655634966,0.3018545961,0.3018545961,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-Ca-Sb,5.0,AB3C_cP5_221_a_c_b:Bi-Ca-Sb +mp-1521669,Ca2BiSbO6,-6.553957205,-2.3878749653,0.1244812624,0.1244812624,GGA,P4/mnc,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-Sb,20.0,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-Sb +mp-1521626,Ca2BiSbO6,-6.402548526,-2.2364662862,0.2758899414,0.2758899414,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-Sb +mp-1043921,LaZn(FeO3)2,-7.377099105,-2.0955065648,0.1215050791,0.1215050791,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Fe-La-O-Zn,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a2b_a:Fe-La-O-Zn, expected LaZn(FeO4)2 to be LaZn(FeO3)2" +mp-1518302,LaZnFeSnO6,-6.579413788,-1.7438661832,0.706246762,0.706246762,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Fe-La-O-Sn-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Fe-La-O-Sn-Zn +mp-1522793,LaZnFeSnO6,-6.85108405,-2.0155364452,0.4345765,0.4345765,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Fe-La-O-Sn-Zn,,ABC6DE_cF40_216_a_c_f_b_d:Fe-La-O-Sn-Zn +mp-1274023,La2ZnFeO6,-7.667136865,-2.7389457353,0.0149325249,0.0149325249,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Fe-La-O-Zn,10.0,AB2C6D_hR30_148_a_c_f_b:Fe-La-O-Zn +mp-1408168,La2ZnSnO6,-7.390711703,-2.9085655088,0.0784140528,0.0784140528,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:La-O-Sn-Zn,10.0,A2B6CD_hR30_148_c_f_a_b:La-O-Sn-Zn +mp-20190,LaZnSn,-4.0761318558,-0.6743576658,0.0,-0.0640985208,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:La-Sn-Zn,12.0,ABC_hP12_194_ab_f_f:La-Sn-Zn +mp-1205365,La2Zn5Sn,-2.9992104169,-0.4766724025,0.0,-0.0102146334,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:La-Sn-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:La-Sn-Zn +mp-1178212,FeSnO3,-7.323507478,-1.8595756383,0.0,-0.001715304,GGA+U,P-1,AB3C_aP10_2_i_3i_i:Fe-O-Sn,20.0,AB3C_aP10_2_i_3i_i:Fe-O-Sn +mp-1178214,FeSnO3,-7.2883229435,-1.8243911038,0.0351845345,0.0334692305,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Fe-O-Sn,20.0,AB3C_oP20_62_c_cd_a:Fe-O-Sn +mp-1207083,FeSnO3,-6.546368164,-1.0824363243,0.777139314,0.77542401,GGA+U,Pm-3m,AB3C_cP5_221_a_c_b:Fe-O-Sn,5.0,AB3C_cP5_221_a_c_b:Fe-O-Sn +mp-863767,Fe13(SnO10)2,-7.8372358621,-1.6354303289,0.0528224346,0.0528224346,GGA+U,P-1,A13B20C2_aP70_2_abef11i_20i_2i:Fe-O-Sn,70.0,"Invalid WP multiplicities - A13B20C2_aP70_2_abef20i_38i_3i:Fe-O-Sn, expected Fe22Sn3O38 to be Fe13(SnO10)2" +mp-690495,Fe5SnO8,-7.7973772143,-1.6592923861000002,0.0395418039,0.0395418039,GGA+U,R-3m,A5B8C_hR42_166_cd_ch_a:Fe-O-Sn,14.0,"Invalid WP multiplicities - A5B8C_hR42_166_cd_c2h_a:Fe-O-Sn, expected Fe5SnO14 to be Fe5SnO8" +mp-1202032,FeSnO6,-5.9460891722,-0.6761235056,0.6482049226000001,0.6482049226000001,GGA+U,Pn-3,AB6C_cP32_201_b_h_c:Fe-O-Sn,32.0,AB6C_cP32_201_b_h_c:Fe-O-Sn +mp-1197322,FeSnO6,-5.9433543025,-0.6733886359,0.6509397923,0.6509397923,GGA+U,Fm-3m,AB6C_cF32_225_a_e_b:Fe-O-Sn,8.0,AB6C_cF32_225_a_e_b:Fe-O-Sn +mp-568049,NdMgSi2,-4.7911421038,-0.4863762181,0.0,-0.0358466365,GGA,I4_1/amd,ABC2_tI32_141_e_e_2e:Mg-Nd-Si,16.0,"Invalid WP multiplicities - ABC2_tI32_141_e_e_6e:Mg-Nd-Si, expected NdMgSi6 to be NdMgSi2" +mp-1205494,Nd2MgSi2,-5.044883921,-0.647441726,0.0,-0.0621535454,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Mg-Nd-Si,10.0,AB2C2_tP10_127_a_h_g:Mg-Nd-Si +mp-1173532,Nd4Mg2Ti3(Si2O11)2,-8.5513435981,-3.5088278939,0.0261090778,0.0261090778,GGA,P2_1/c,A2B4C22D4E3_mP70_14_bc_2e_11e_2e_ae:Mg-Nd-O-Si-Ti,70.0,"Invalid WP multiplicities - A2B4C22D4E3_mP70_14_2ab_5e_41e_5e_2c2e:Mg-Nd-O-Si-Ti, expected Nd10Mg3Ti6(Si5O41)2 to be Nd4Mg2Ti3(Si2O11)2" +mp-744410,Ca5Gd3Ti5Mn3O24,-9.2810997498,-3.332589721,0.0150488226,0.0150488226,GGA+U,P1,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Gd-Mn-O-Ti,40.0,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Gd-Mn-O-Ti +mp-1233240,Nd4MgTa4Ti4O24,-9.3843782697,-3.4815005012,0.0934108296,0.0934108296,GGA,P1,AB4C24D4E4_aP37_1_a_4a_24a_4a_4a:Mg-Nd-O-Ta-Ti,37.0,AB4C24D4E4_aP37_1_a_4a_24a_4a_4a:Mg-Nd-O-Ta-Ti +mp-1234296,Nd4MgTa4Ti4O24,-9.4320088092,-3.5291310406000003,0.0457802901,0.0457802901,GGA,P1,AB4C24D4E4_aP37_1_a_4a_24a_4a_4a:Mg-Nd-O-Ta-Ti,37.0,AB4C24D4E4_aP37_1_a_4a_24a_4a_4a:Mg-Nd-O-Ta-Ti +mp-1369747,Mg2TaTiO6,-8.4168939365,-3.1534977351,0.110305657,0.110305657,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Ta-Ti,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Mg-O-Ta-Ti, expected Mg3TaTiO18 to be Mg2TaTiO6" +mp-1220331,NdMg2TaO6,-8.1274781175,-3.1768163745,0.2521436445,0.2521436445,GGA,Imma,A2BC6D_oI40_74_ab_c_2ej_d:Mg-Nd-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_oI40_74_ab_c_4e2j_d:Mg-Nd-O-Ta, expected NdMg2TaO12 to be NdMg2TaO6" +mp-1220116,NdTaTiO6,-9.6506898403,-3.6282954684,0.0,-0.0081957192,GGA,Pna2_1,AB6CD_oP36_33_a_6a_a_a:Nd-O-Ta-Ti,36.0,"Invalid WP multiplicities - AB6CD_oP36_33_a_16a_a_a:Nd-O-Ta-Ti, expected NdTaTiO16 to be NdTaTiO6" +mp-1045930,Mg2Ta2TiO8,-8.8791599908,-3.1572279087,0.0836297716,0.0836297716,GGA,C2/c,A2B8C2D_mC52_15_f_4f_f_e:Mg-O-Ta-Ti,26.0,"Invalid WP multiplicities - A2B8C2D_mC52_15_f_5f_f_e:Mg-O-Ta-Ti, expected Mg2Ta2TiO10 to be Mg2Ta2TiO8" +mp-560633,Al2SnCl6O,-4.8352314063,-2.0813681876,0.0,-0.0386804385,GGA,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Al-Cl-O-Sn,40.0,"Invalid WP multiplicities - A2B6CD_mP40_14_6e_23e_e_e:Al-Cl-O-Sn, expected Al6SnCl23O to be Al2SnCl6O" +mp-560193,SnSe2(Cl4O)2,-3.9004865304,-1.1556353371,0.0,-0.0123079144,GGA,C2/c,A8B2C2D_mC52_15_4f_f_f_e:Cl-O-Se-Sn,26.0,"Invalid WP multiplicities - A8B2C2D_mC52_15_9f_f_f_e:Cl-O-Se-Sn, expected SnSe2(Cl9O)2 to be SnSe2(Cl4O)2" +mp-1048499,AlSn3Se2ClO8,-5.9930426917,-1.7138319783,0.2590709993,0.2590709993,GGA,P1,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-Sn,30.0,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-Sn +mp-1250779,AlSn3Se2ClO8,-6.00126891,-1.7220581966,0.250844781,0.250844781,GGA,P2_1,ABC8D2E3_mP30_4_a_a_8a_2a_3a:Al-Cl-O-Se-Sn,30.0,"Invalid WP multiplicities - ABC8D2E3_mP30_4_a_a_15a_2a_5a:Al-Cl-O-Se-Sn, expected AlSn5Se2ClO15 to be AlSn3Se2ClO8" +mp-774749,RbNa3Li12Ti4O16,-6.4950929064,-2.6455325786,0.0,-0.0121704746,GGA,I4/m,A12B3C16DE4_tI72_87_hi_ad_2hi_b_h:Li-Na-O-Rb-Ti,36.0,"Invalid WP multiplicities - A12B3C16DE4_tI72_87_4h3i_ad_8h3i_b_h:Li-Na-O-Rb-Ti, expected RbNa3Li40Ti4O56 to be RbNa3Li12Ti4O16" +mp-555420,NaLiTi3O7,-8.3364216215,-3.2076928557,0.0005713004,0.0005713004,GGA,Cmce,ABC7D3_oC192_64_g_2f_2d2f5g_de2g:Li-Na-O-Ti,96.0,"Invalid WP multiplicities - ABC7D3_oC192_64_g_4f_8d8f35g_4d3e10g:Li-Na-O-Ti, expected Na4Li2Ti27O86 to be NaLiTi3O7" +mp-1205423,NaLiTi3O7,-8.3359967115,-3.2072679457,0.0009962104,0.0009962104,GGA,Cmme,ABC7D3_oC96_67_n_m_him2no_abo:Li-Na-O-Ti,48.0,ABC7D3_oC96_67_n_m_him2no_abo:Li-Na-O-Ti +mp-1981564,NaLiTi3O7,-8.3363390654,-3.2076102997,0.0006538565,0.0006538565,GGA,Fmmm,ABC7D3_oF96_69_i_g_gjmn_fn:Li-Na-O-Ti,24.0,ABC7D3_oF96_69_i_g_gjmn_fn:Li-Na-O-Ti +mp-775424,Na5Li4Ti5O14,-7.2368204243,-2.8446982823,0.0167596018,0.0167596018,GGA,P1,A4B5C14D5_aP28_1_4a_5a_14a_5a:Li-Na-O-Ti,28.0,A4B5C14D5_aP28_1_4a_5a_14a_5a:Li-Na-O-Ti +mp-560476,Rb3NaTiO4,-5.9116822633,-2.3620851108,0.0,-0.0138648127,GGA,P2_1/c,AB4C3D_mP36_14_e_4e_3e_e:Na-O-Rb-Ti,36.0,"Invalid WP multiplicities - AB4C3D_mP36_14_e_14e_10e_e:Na-O-Rb-Ti, expected Rb10NaTiO14 to be Rb3NaTiO4" +mp-556185,RbNaTiO3,-6.9489981675,-2.7758952481,0.0,-0.0214010686,GGA,C2/c,AB3CD_mC24_15_e_ef_e_e:Na-O-Rb-Ti,12.0,"Invalid WP multiplicities - AB3CD_mC24_15_e_2e2f_e_e:Na-O-Rb-Ti, expected RbNaTiO6 to be RbNaTiO3" +mp-774609,Na5Li3Ti5O14,-7.3977667104,-2.9136742249000003,0.0198350252,0.0198350252,GGA,P1,A3B5C14D5_aP27_1_3a_5a_14a_5a:Li-Na-O-Ti,27.0,A3B5C14D5_aP27_1_3a_5a_14a_5a:Li-Na-O-Ti +mp-761849,Na5Li3Ti5O14,-7.3769215826,-2.8928290971,0.040680153,0.040680153,GGA,P1,A3B5C14D5_aP27_1_3a_5a_14a_5a:Li-Na-O-Ti,27.0,A3B5C14D5_aP27_1_3a_5a_14a_5a:Li-Na-O-Ti +mp-1101408,PrSmO2,-7.9163317688,-3.0681144406,0.1243871339,0.1243871339,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:O-Pr-Sm,8.0,A2BC_tI16_141_e_a_b:O-Pr-Sm +mp-867735,PrSmO2,-7.9453821675,-3.0971648394,0.0953367351,0.0953367351,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Pr-Sm,4.0,A2BC_hR12_166_c_a_b:O-Pr-Sm +mp-1520473,LiPrMn4O12,-7.3462350544,-1.6407820364,0.3391667297,0.3391667297,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Li-Mn-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Li-Mn-O-Pr, expected LiPrMn4O16 to be LiPrMn4O12" +mp-999052,Ti2MnAl,-7.424667625,-0.2500238361,0.0767592167,0.0767592167,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Mn-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Mn-Ti +mp-1204502,Pr(TiAl10)2,-4.3808785987,-0.229426147,0.0,-0.0144084535,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Pr-Ti,46.0,A20BC2_cF184_227_cfg_a_d:Al-Pr-Ti +mp-1216913,TiMnAl,-7.23746513,-0.3031040838,0.0563838667,0.0563838667,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Mn-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Mn-Ti, expected Ti3(MnAl)2 to be TiMnAl" +mp-865531,TiMn2Al,-7.8270342675,-0.3357596598,0.0,-0.0337122934,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Mn-Ti +mp-1222772,Li(TiTe2)5,-5.550513615,-0.9992984973,0.0,-0.0024664758,GGA,P-1,AB10C5_aP16_2_a_5i_e2i:Li-Te-Ti,16.0,"Invalid WP multiplicities - AB10C5_aP16_2_a_10i_e2i:Li-Te-Ti, expected Li(TiTe4)5 to be Li(TiTe2)5" +mp-10189,LiTiTe2,-5.0588111475,-1.03605448,0.0157450606,0.0157450606,GGA,P-3m1,AB2C_hP4_164_a_d_b:Li-Te-Ti,4.0,AB2C_hP4_164_a_d_b:Li-Te-Ti +mp-754528,Ti2Ni3Te3O16,-6.8933549746,-1.8221745107,0.1127409346,0.1127409346,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Ni-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Ni-O-Te-Ti, expected Ti2Ni3Te3O20 to be Ti2Ni3Te3O16" +mp-1222726,Li(TiTe2)2,-5.3427628657,-1.018029941,0.0039592514,0.0039592514,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Li-Te-Ti,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_4i_i:Li-Te-Ti, expected Li(TiTe4)2 to be Li(TiTe2)2" +mp-756117,Li2TiTeO6,-6.8726946955,-2.4190171044,0.0,-0.0028809098,GGA,Pnn2,A2B6CD_oP20_34_ab_3c_a_b:Li-O-Te-Ti,20.0,"Invalid WP multiplicities - A2B6CD_oP20_34_2ab_9c_b_a:Li-O-Te-Ti, expected Li3TiTeO18 to be Li2TiTeO6" +mp-763178,Li4Ti3Ni3(TeO8)2,-7.0770135127,-2.2878632011,0.0292660447,0.0292660447,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Te-Ti,56.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_2a2b_8a4b_2a_ab:Li-Ni-O-Te-Ti, expected Li4Ti3Ni6(TeO8)2 to be Li4Ti3Ni3(TeO8)2" +mp-850190,Li4Ti(TeO4)3,-6.3027764995,-2.0867082146,0.0298281242,0.0298281242,GGA,P2,A4B12C3D_mP20_3_abcd_6e_abc_d:Li-O-Te-Ti,20.0,"Invalid WP multiplicities - A4B12C3D_mP20_3_abcd_11e_abc_d:Li-O-Te-Ti, expected Li4TiTe3O22 to be Li4Ti(TeO4)3" +mp-771243,Ti3Ni3(TeO8)2,-7.2915079879,-2.0223197689,0.1089692552,0.1089692552,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Ni-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Ni-O-Te-Ti, expected Ti3Ni3(TeO10)2 to be Ti3Ni3(TeO8)2" +mp-756432,Li2Ti(TeO4)3,-6.389202865,-1.9167850892,0.0238401308,0.0238401308,GGA,P2,A2B12C3D_mP18_3_ac_6e_abc_d:Li-O-Te-Ti,18.0,"Invalid WP multiplicities - A2B12C3D_mP18_3_ac_11e_abc_d:Li-O-Te-Ti, expected Li2TiTe3O22 to be Li2Ti(TeO4)3" +mp-758894,Li2Ti(TeO4)3,-6.4034285019,-1.9310107261,0.0096144939,0.0096144939,GGA,P2,A2B12C3D_mP36_3_abe_12e_abcde_e:Li-O-Te-Ti,36.0,"Invalid WP multiplicities - A2B12C3D_mP36_3_ade_22e_abcd2e_e:Li-O-Te-Ti, expected Li2Ti(Te2O11)2 to be Li2Ti(TeO4)3" +mp-1217047,TiAlCu2,-5.15616925,-0.1962989533,0.10872942,0.0376045508,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Cu-Ti,4.0,AB2C_tP4_123_a_h_b:Al-Cu-Ti +mp-4771,TiAlCu2,-5.26489867,-0.3050283733,0.0,-0.0711248692,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Cu-Ti,4.0,AB2C_cF16_225_a_c_b:Al-Cu-Ti +mp-1197399,LaTi2Al9O19,-8.2847463462,-3.4968670197,0.0011503192,0.0011503192,GGA,C2/c,A9BC19D2_mC248_15_2e8f_f_19f_2f:Al-La-O-Ti,124.0,A9BC19D2_mC248_15_2e8f_f_19f_2f:Al-La-O-Ti +mp-999079,Ti2AlCu,-5.9659156025,-0.0569739692,0.2351186538,0.2351186538,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Cu-Ti,4.0,ABC2_cF16_216_a_c_bd:Al-Cu-Ti +mp-697332,La7Ti27Al5(CuO4)24,-7.9966647845,-2.7153988116,0.0784292386,0.0784292386,GGA,P1,A5B24C7D96E27_aP159_1_5a_24a_7a_96a_27a:Al-Cu-La-O-Ti,159.0,A5B24C7D96E27_aP159_1_5a_24a_7a_96a_27a:Al-Cu-La-O-Ti +mp-1217214,TiAlCu,-5.5420813625,-0.2953231903,0.0436772358,0.0436772358,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cu-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cu-Ti, expected Ti3(AlCu)2 to be TiAlCu" +mp-555471,La3Ti5Al15O37,-8.3018260166,-3.4102159972,0.1229293735,0.1229293735,GGA,Cc,A15B3C37D5_mC240_9_15a_3a_37a_5a:Al-La-O-Ti,120.0,"Invalid WP multiplicities - A15B3C37D5_mC240_9_29a_6a_72a_10a:Al-La-O-Ti, expected La6Ti10Al29O72 to be La3Ti5Al15O37" +mp-1045600,Ti4Al(CuO4)3,-7.8174856965,-2.4682142744,0.305541808,0.305541808,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Ti,20.0,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Ti +mp-765723,Na3Li6Mn5O9,-6.3973053752,-1.799418943,0.0896997588,0.0896997588,GGA+U,P1,A6B5C3D9_aP23_1_6a_5a_3a_9a:Li-Mn-Na-O,23.0,"Invalid WP multiplicities - A6B5C3D9_mC46_8_2a3b_a2b_ab_3a4b:Li-Mn-Na-O, expected Na3Li8Mn5O11 to be Na3Li6Mn5O9" +mp-765725,Na3Li5Mn5O9,-6.5808306891,-1.8607186402,0.0633210144,0.0633210144,GGA+U,P1,A5B5C3D9_aP22_1_5a_5a_3a_9a:Li-Mn-Na-O,22.0,A5B5C3D9_aP22_1_5a_5a_3a_9a:Li-Mn-Na-O +mp-774261,Na3Li5Mn5O9,-6.5695430032,-1.8494309543,0.0746087003,0.0746087003,GGA+U,P1,A5B5C3D9_aP22_1_5a_5a_3a_9a:Li-Mn-Na-O,22.0,A5B5C3D9_aP22_1_5a_5a_3a_9a:Li-Mn-Na-O +mp-762649,Na3LiMn5O9,-7.3451852739,-2.0003645179,0.0537898785,0.0537898785,GGA+U,P1,AB5C3D9_aP18_1_a_5a_3a_9a:Li-Mn-Na-O,18.0,AB5C3D9_aP18_1_a_5a_3a_9a:Li-Mn-Na-O +mp-1523240,LiLaMn4O12,-7.3958824339,-1.6818126742,0.358235689,0.358235689,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:La-Li-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:La-Li-Mn-O, expected LiLaMn4O18 to be LiLaMn4O12" +mp-754290,LiLa4MnO8,-8.3742954991,-3.3465471942,0.068667311,0.068667311,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_c_ghn:La-Li-Mn-O,56.0,A4BCD8_oC28_65_gh_a_c_ghn:La-Li-Mn-O +mp-770950,LiLa4MnO8,-8.3743552266,-3.3466069217,0.0686075835,0.0686075835,GGA+U,I4_1/amd,A4BCD8_tI56_141_2e_a_b_2eg:La-Li-Mn-O,56.0,A4BCD8_tI56_141_2e_a_b_2eg:La-Li-Mn-O +mp-753127,Na3Li4Mn5O9,-6.7164424962,-1.8624642958,0.09232357,0.09232357,GGA+U,P1,A4B5C3D9_aP21_1_4a_5a_3a_9a:Li-Mn-Na-O,21.0,A4B5C3D9_aP21_1_4a_5a_3a_9a:Li-Mn-Na-O +mp-1222383,LiLa2Mn3O9,-8.1529218473,-2.5671097571,0.2510075813,0.2510075813,GGA+U,P-3m1,A2BC3D9_hP15_164_d_a_bd_ei:La-Li-Mn-O,15.0,"Invalid WP multiplicities - A2BC3D9_hP15_164_d_a_bd_2e2i:La-Li-Mn-O, expected LiLa2Mn3O18 to be LiLa2Mn3O9" +mp-554028,Na5LiMn2O8,-5.974557907,-1.8233648065,0.0155447318,0.0155447318,GGA+U,Pnma,AB2C5D8_oP128_62_d_2cd_2c4d_4c6d:Li-Mn-Na-O,128.0,"Invalid WP multiplicities - AB2C5D8_oP128_62_d_6c4d_7c25d_16c37d:Li-Mn-Na-O, expected Na57Li2Mn14O90 to be Na5LiMn2O8" +mp-1222623,LiLa3MnO7,-8.252439667099999,-3.210291296,0.0434561418,0.0434561418,GGA+U,P2_1/m,A3BCD7_mP24_11_3e_e_e_3e2f:La-Li-Mn-O,24.0,"Invalid WP multiplicities - A3BCD7_mP24_11_5e_e_e_5e2f:La-Li-Mn-O, expected LiLa5MnO9 to be LiLa3MnO7" +mp-769464,LiLa3MnO7,-8.2484760627,-3.2063276917,0.0474197462,0.0474197462,GGA+U,P2_1/c,A3BCD7_mP48_14_3e_e_e_7e:La-Li-Mn-O,48.0,"Invalid WP multiplicities - A3BCD7_mP48_14_9e_e_e_28e:La-Li-Mn-O, expected LiLa9MnO28 to be LiLa3MnO7" +mp-771258,LiLa6Mn3O14,-8.5249148106,-3.1805542552,0.1161083019,0.1161083019,GGA+U,Pc,A6BC3D14_mP48_7_6a_a_3a_14a:La-Li-Mn-O,48.0,"Invalid WP multiplicities - A6BC3D14_mP48_7_10a_a_4a_26a:La-Li-Mn-O, expected LiLa10Mn4O26 to be LiLa6Mn3O14" +mp-557019,RbErSeCl2O3,-5.88308947,-2.4354264933,0.0,-0.0023158694,GGA,P2_1/c,A2BC3DE_mP32_14_2e_e_3e_e_e:Cl-Er-O-Rb-Se,32.0,"Invalid WP multiplicities - A2BC3DE_mP32_14_5e_e_9e_e_e:Cl-Er-O-Rb-Se, expected RbErSeCl5O9 to be RbErSeCl2O3" +mp-23086,ErSeClO3,-6.6212288408,-2.4958566606,0.0,-0.0713381166,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Er-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_c2d_c:Cl-Er-O-Se, expected ErSeClO5 to be ErSeClO3" +mp-1177280,Li4Ti3Mn3(SnO8)2,-7.8018200421,-2.5884494535,0.0310666479,0.0310666479,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Mn-O-Sn-Ti, expected Li4Ti3Mn3(SnO10)2 to be Li4Ti3Mn3(SnO8)2" +mp-776644,Ti3Mn3(SnO8)2,-8.1835567575,-2.4194448818,0.0985743132,0.0985743132,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Mn-O-Sn-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Mn-O-Sn-Ti, expected Ti3Mn3(SnO10)2 to be Ti3Mn3(SnO8)2" +mp-755012,Li4Ti3Mn2Sn3O16,-7.5956135846,-2.566258833,0.0637836104,0.0637836104,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Mn-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Mn-O-Sn-Ti, expected Li4Ti3Mn2Sn3O20 to be Li4Ti3Mn2Sn3O16" +mp-772989,Li4Ti2Mn3Sn3O16,-7.4726209061,-2.3980331803,0.0706815436,0.0706815436,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-Sn-Ti, expected Li4Ti2Mn3Sn3O20 to be Li4Ti2Mn3Sn3O16" +mp-1519753,Sr2HfZrO6,-8.850695345,-3.6942944616,0.0440677182,0.0440677182,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Zr +mp-1522408,SrEuHf4O12,-9.4858661817,-3.3116708534,0.212817227,0.212817227,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Eu-Hf-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Eu-Hf-O-Sr, expected SrEuHf4O18 to be SrEuHf4O12" +mp-1519163,SrEuHfZrO6,-9.680149889,-3.6669981709,0.0634475857,0.0634475857,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-Zr +mp-561346,Na2ZrGeO5,-7.1965855526,-2.6911163717,0.0070496685,0.0070496685,GGA,P2_1/c,AB2C5D_mP72_14_2e_4e_10e_2e:Ge-Na-O-Zr,72.0,"Invalid WP multiplicities - AB2C5D_mP72_14_4e_16e_34e_6e:Ge-Na-O-Zr, expected Na8Zr3Ge2O17 to be Na2ZrGeO5" +mp-557109,Na4Zr2(GeO4)3,-7.1675651531,-2.6144770324,0.0118750752,0.0118750752,GGA,R-3,A3B4C12D2_hR126_148_f_abf_4f_2c:Ge-Na-O-Zr,42.0,"Invalid WP multiplicities - A3B4C12D2_hR126_148_f_ab2f_18f_4c:Ge-Na-O-Zr, expected Na7Zr4(GeO18)3 to be Na4Zr2(GeO4)3" +mp-561166,Na2ZrGe2O7,-7.1612939837,-2.5724916583,0.0,-0.0078529267,GGA,P-1,A2B2C7D_aP24_2_2i_2i_7i_i:Ge-Na-O-Zr,24.0,"Invalid WP multiplicities - A2B2C7D_aP24_2_4i_4i_12i_i:Ge-Na-O-Zr, expected Na4Zr(GeO3)4 to be Na2ZrGe2O7" +mp-728013,Na4Zr2Ge5O17,-6.9863979164,-2.3580282807,0.0774815824,0.0774815824,GGA,P2/c,A5B4C17D2_mP56_13_e2g_2g_f8g_g:Ge-Na-O-Zr,56.0,A5B4C17D2_mP56_13_e2g_2g_f8g_g:Ge-Na-O-Zr +mp-541722,CsBa2Br5,-4.0822455306,-2.5199337929,0.0,-0.0187249181,GGA,P2_1/c,A2B5C_mP32_14_2e_5e_e:Ba-Br-Cs,32.0,A2B5C_mP32_14_2e_5e_e:Ba-Br-Cs +mp-1203665,Cs2BaTa6(Br5O)3,-5.792272743,-1.6073862042,0.2898184926,0.2898184926,GGA,C2/c,AB15C2D3E6_mC108_15_e_e7f_f_ef_3f:Ba-Br-Cs-O-Ta,54.0,"Invalid WP multiplicities - AB15C2D3E6_mC108_15_e_2e26f_f_2e3f_12f:Ba-Br-Cs-O-Ta, expected Cs2BaTa24(Br27O4)2 to be Cs2BaTa6(Br5O)3" +mp-1226237,Cs2BaBr4,-3.7206630821,-2.3032497958,0.0345044911,0.0345044911,GGA,I-42d,AB4C2_tI28_122_a_e_d:Ba-Br-Cs,14.0,AB4C2_tI28_122_a_e_d:Ba-Br-Cs +mp-1096482,LiLa2Ge,-2.3681519025,1.7328393304,2.196463475,2.196463475,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-La-Li,4.0,AB2C_oI8_71_a_e_b:Ge-La-Li +mp-1198622,Li7La3Hf2O12,-7.6626254401,-3.1857452744,0.009410282,0.009410282,GGA,I4_1/acd,A2B3C7D12_tI192_142_c_be_afg_3g:Hf-La-Li-O,96.0,A2B3C7D12_tI192_142_c_be_afg_3g:Hf-La-Li-O +mp-1188255,LiLaGe2,-4.7232226025,-0.7004761821000001,0.0,-0.0763873596,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-La-Li,16.0,A2BC_oP16_62_2c_c_c:Ge-La-Li +mp-1173369,Pr2EuSe4,-7.045351455,-2.2164287092,0.0,-0.0161309952,GGA,I-42d,AB2C4_tI28_122_a_d_e:Eu-Pr-Se,14.0,AB2C4_tI28_122_a_d_e:Eu-Pr-Se +mp-1220394,Nd2CoSb4,-5.5558334643,-0.8186023757,0.0432952411,0.0432952411,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Co-Nd-Sb,7.0,AB2C4_tP7_115_c_g_abg:Co-Nd-Sb +mp-1210632,Nd12Co6Pb,-5.6091451884,-0.1575492395,0.0,-0.024871028,GGA,Im-3,A6B12C_cI38_204_e_g_a:Co-Nd-Pb,19.0,A6B12C_cI38_204_e_g_a:Co-Nd-Pb +mp-1220261,NdCoSbPbO6,-7.0564934765,-2.116668896,0.12066247,0.12066247,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Co-Nd-O-Pb-Sb,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Co-Nd-O-Pb-Sb +mp-570956,NdCoSb3,-5.537991686,-0.6852978965000001,0.0101334875,0.0101334875,GGA,Pbcm,ABC3_oP40_57_e_cd_2c2de:Co-Nd-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_e_3c3d_8c8d6e:Co-Nd-Sb, expected Nd3CoSb14 to be NdCoSb3" +mp-1078695,NdCoSb2,-5.7605094125,-0.7268924856,0.04091919,0.04091919,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Co-Nd-Sb,8.0,ABC2_tP8_129_a_c_bc:Co-Nd-Sb +mp-1199265,Nb2Pb2Se4O15,-6.9274130665,-1.8921139013,0.0,-0.0196807307,GGA,C2/c,A2B15C2D4_mC92_15_f_e7f_f_2f:Nb-O-Pb-Se,46.0,A2B15C2D4_mC92_15_f_e7f_f_2f:Nb-O-Pb-Se +mp-1104699,Nb5PbSe8,-6.8868206943,-1.0163589735,0.0718963749,0.0718963749,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Nb-Pb-Se,14.0,A5BC8_mC28_12_a2i_c_4i:Nb-Pb-Se +mp-1193560,NbPb2Se2ClO8,-6.5641300636,-1.8540966003,0.0,-0.0095251874,GGA,P2_1,ABC8D2E2_mP28_4_a_a_8a_2a_2a:Cl-Nb-O-Pb-Se,28.0,ABC8D2E2_mP28_4_a_a_8a_2a_2a:Cl-Nb-O-Pb-Se +mp-1220882,Nb12PbSe16,-7.2950879003,-1.0584364799,0.0365784214,0.0365784214,GGA,P-1,A12BC16_aP29_2_6i_a_8i:Nb-Pb-Se,29.0,"Invalid WP multiplicities - A12BC16_aP29_2_12i_a_15i:Nb-Pb-Se, expected Nb24PbSe30 to be Nb12PbSe16" +mp-1043413,Sr2CrCu2O7,-6.5238083571,-1.8690359658,0.485755759,0.485755759,GGA+U,Ima2,AB2C7D2_oI48_46_b_c_b3c_c:Cr-Cu-O-Sr,24.0,AB2C7D2_oI48_46_b_c_b3c_c:Cr-Cu-O-Sr +mp-1218860,Sr6Tl3Cu3O16,-5.4571977479000005,-1.5761431211,0.3599637687,0.3599637687,GGA,C2/m,A3B16C6D3_mC56_12_ai_eh4ij_3i_di:Cu-O-Sr-Tl,28.0,"Invalid WP multiplicities - A3B16C6D3_mC56_12_ai_2eh7i3j_6i_d2i:Cu-O-Sr-Tl, expected Sr12Tl5Cu3O32 to be Sr6Tl3Cu3O16" +mp-620290,Sr2TlCuO5,-5.8286442622,-1.9870575645,0.0150626707,0.0150626707,GGA,P4/mmm,AB5C2D_tP9_123_b_ceg_h_a:Cu-O-Sr-Tl,9.0,"Invalid WP multiplicities - AB5C2D_tP9_123_b_c2eg_h_a:Cu-O-Sr-Tl, expected Sr2TlCuO7 to be Sr2TlCuO5" +mp-559339,Sr8Tl3Cr(CuO5)4,-6.0958603611,-2.0517624322,0.1709095314,0.1709095314,GGA+U,Cmmm,AB4C20D8E3_oC72_65_a_eg_f2gh2j2p_2q_bi:Cr-Cu-O-Sr-Tl,36.0,"Invalid WP multiplicities - AB4C20D8E3_oC72_65_a_e2g_2f4g2h4j8p_5q_b2i:Cr-Cu-O-Sr-Tl, expected Sr20Tl5Cr(Cu3O28)2 to be Sr8Tl3Cr(CuO5)4" +mp-1229314,CuAg64Hg3(As4S15)4,-3.8348215397,-0.2999137726,0.0052672885,0.0052672885,GGA,P1,A64B16CD3E60_aP144_1_64a_16a_a_3a_60a:Ag-As-Cu-Hg-S,144.0,A64B16CD3E60_aP144_1_64a_16a_a_3a_60a:Ag-As-Cu-Hg-S +mp-1215118,Ag16HgAs4S15,-3.8091190331,-0.3005690875,0.0036921485,0.0036921485,GGA,C2,A16B4CD15_mC288_5_4a30c_8c_2c_2b29c:Ag-As-Hg-S,144.0,A16B4CD15_mC288_5_4a30c_8c_2c_2b29c:Ag-As-Hg-S +mp-6215,AgHgAsS3,-3.7369156483,-0.3694649193,0.0,-0.0012075126,GGA,Cc,ABCD3_mC24_9_a_a_a_3a:Ag-As-Hg-S,12.0,"Invalid WP multiplicities - ABCD3_mC24_9_a_a_a_4a:Ag-As-Hg-S, expected AgHgAsS4 to be AgHgAsS3" +mp-6287,Cu6Hg3(AsS3)4,-4.1733742784,-0.4221681529,0.0015603564,0.0015603564,GGA,R3,A4B6C3D12_hR75_146_ab_2b_b_4b:As-Cu-Hg-S,25.0,"Invalid WP multiplicities - A4B6C3D12_hR75_146_ab_4b_b_8b:As-Cu-Hg-S, expected Cu12Hg3(AsS6)4 to be Cu6Hg3(AsS3)4" +mp-1218137,SrNdCrO4,-8.2482545171,-3.1200483456,0.0048960302,0.0048960302,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Cr-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Cr-Nd-O-Sr +mp-1521039,SrNdCr4O12,-7.9129426072,-2.1112706461,0.3015306829,0.3015306829,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Cr-Nd-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Cr-Nd-O-Sr, expected SrNdCr4O18 to be SrNdCr4O12" +mp-1517084,BaNdCr4O12,-7.878952855,-2.0645319224,0.3522799531,0.3522799531,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Cr-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Cr-Nd-O, expected BaNdCr4O16 to be BaNdCr4O12" +mp-1519085,BaSrNdCrO6,-7.539354036,-2.7683744797000003,0.1974245965,0.1974245965,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Nd-O-Sr +mp-1518851,Sr2CeSbO6,-7.2995353295,-2.9874143726,0.0831065311,0.0831065311,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Ce-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Ce-O-Sb-Sr +mp-1518760,Sr2CeSbO6,-7.246754432,-2.9346334751,0.1358874286,0.1358874286,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-O-Sb-Sr +mp-561045,Ba8Ce3(SbO6)4,-7.310804029,-2.9931732337,0.0,-0.0439197274,GGA,I4/mmm,A8B3C24D4_tI78_139_m_ad_2egijn_ce:Ba-Ce-O-Sb,39.0,"Invalid WP multiplicities - A8B3C24D4_tI78_139_m_ad_4e4g4i4j5n_ce:Ba-Ce-O-Sb, expected Ba8Ce3(SbO24)4 to be Ba8Ce3(SbO6)4" +mp-1518051,BaSrCeSbO6,-7.346536925,-3.0114678194,0.0669103642,0.0669103642,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Ce-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Ce-O-Sb-Sr, expected BaSrCeSbO12 to be BaSrCeSbO6" +mp-1518131,BaSrCeSbO6,-7.321654728,-2.9865856224,0.0917925612,0.0917925612,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Ce-O-Sb-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Ce-O-Sb-Sr +mp-1518087,BaSrCeSbO6,-7.29809247,-2.9630233644,0.1153548192,0.1153548192,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ce-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ce-O-Sb-Sr +mp-1214380,BaLiGd2(MoO4)4,-9.0395379696,-2.6016312151000003,0.04305724,0.04305724,GGA+U,C2/c,AB2CD4E16_mC96_15_e_f_e_2f_8f:Ba-Gd-Li-Mo-O,48.0,AB2CD4E16_mC96_15_e_f_e_2f_8f:Ba-Gd-Li-Mo-O +mp-1210959,LiGd(MoO4)2,-8.9326475842,-2.4951596661,0.03574687,0.03574687,GGA+U,P2/c,ABC2D8_mP24_13_e_f_g_4g:Gd-Li-Mo-O,24.0,ABC2D8_mP24_13_e_f_g_4g:Gd-Li-Mo-O +mp-1079839,Ba2GdMoO6,-8.885329848,-3.0413443982,0.0,-0.0706757599,GGA+U,P-1,A2BCD6_aP10_2_i_a_e_3i:Ba-Gd-Mo-O,10.0,A2BCD6_aP10_2_i_a_e_3i:Ba-Gd-Mo-O +mp-1078907,Ba2GdMoO6,-8.85359767,-3.0096122202,0.031732178,-0.0389435819,GGA+U,I4/m,A2BCD6_tI20_87_d_a_b_eh:Ba-Gd-Mo-O,10.0,A2BCD6_tI20_87_d_a_b_eh:Ba-Gd-Mo-O +mp-1095074,Ba2GdMoO6,-8.875755319,-3.0317698692,0.009574529,-0.0611012309,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Gd-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Gd-Mo-O +mp-1201155,Cu5Se4(ClO6)2,-5.3187515378,-1.0780116632,0.0,-0.0016809668,GGA,P2_1/c,A2B5C12D4_mP46_14_e_a2e_6e_2e:Cl-Cu-O-Se,46.0,A2B5C12D4_mP46_14_e_a2e_6e_2e:Cl-Cu-O-Se +mp-1210264,NaCu2(SeO5)2,-5.444666012,-1.0460227652,0.045620152,0.045620152,GGA,C2/m,A2BC10D2_mC30_12_f_a_3ij_i:Cu-Na-O-Se,15.0,A2BC10D2_mC30_12_e_a_3ij_i:Cu-Na-O-Se +mp-23119,Cu5Se2(ClO4)2,-5.1900582,-1.0277970638,0.0078788626,0.0043733236,GGA,P2_1/c,A2B5C8D2_mP34_14_e_a2e_4e_e:Cl-Cu-O-Se,34.0,"Invalid WP multiplicities - A2B5C8D2_mP34_14_e_2a5e_13e_e:Cl-Cu-O-Se, expected Cu6SeClO13 to be Cu5Se2(ClO4)2" +mp-554163,Cu5Se2(ClO4)2,-5.1979370626,-1.0356759265,0.0,-0.003505539,GGA,P2_1/c,A2B5C8D2_mP34_14_e_a2e_4e_e:Cl-Cu-O-Se,34.0,"Invalid WP multiplicities - A2B5C8D2_mP34_14_e_a5e_12e_e:Cl-Cu-O-Se, expected Cu11Se2(ClO12)2 to be Cu5Se2(ClO4)2" +mp-1196410,NaCu5Se2Cl3O8,-5.0334961824,-1.1424697998,0.0062525111,0.0062525111,GGA,Pnma,A3B5CD8E2_oP76_62_3c_3cd_c_4c2d_2c:Cl-Cu-Na-O-Se,76.0,A3B5CD8E2_oP76_62_3c_3cd_c_4c2d_2c:Cl-Cu-Na-O-Se +mp-1213564,CuSeClO5,-4.5011272942,-0.2289899987,0.6206172526,0.6206172526,GGA,Pnma,ABC5D_oP64_62_d_ac_2c4d_d:Cl-Cu-O-Se,64.0,ABC5D_oP64_62_d_ac_2c4d_d:Cl-Cu-O-Se +mp-557946,Cu3Se2(ClO3)2,-5.0930906738,-1.0418100159,0.0176014354,0.0176014354,GGA,P-1,A2B3C6D2_aP26_2_2i_3i_6i_2i:Cl-Cu-O-Se,26.0,"Invalid WP multiplicities - A2B3C6D2_aP26_2_2i_6i_12i_2i:Cl-Cu-O-Se, expected Cu3SeClO6 to be Cu3Se2(ClO3)2" +mp-557136,Cu3Se2(ClO3)2,-5.1049266377,-1.0536459798,0.0057654715,0.0057654715,GGA,C2/m,A2B3C6D2_mC26_12_i_ai_ij_i:Cl-Cu-O-Se,13.0,"Invalid WP multiplicities - A2B3C6D2_mC26_12_i_a2i_i2j_i:Cl-Cu-O-Se, expected Cu5Se2(ClO5)2 to be Cu3Se2(ClO3)2" +mp-558647,Cu9Se4(Cl3O7)2,-5.0051738112,-1.0287687246,0.0054515511,0.0054515511,GGA,C2/m,A6B9C14D4_mC66_12_3i_af3i_3i2j_2i:Cl-Cu-O-Se,33.0,"Invalid WP multiplicities - A6B9C14D4_mC66_12_5i_a2f5i_6i5j_2i:Cl-Cu-O-Se, expected Cu15Se4(Cl5O16)2 to be Cu9Se4(Cl3O7)2" +mp-680211,Cu9Se4(Cl3O7)2,-4.9964850003,-1.0200799137,0.014140362,0.014140362,GGA,P2_1/c,A6B9C14D4_mP66_14_3e_a4e_7e_2e:Cl-Cu-O-Se,66.0,"Invalid WP multiplicities - A6B9C14D4_mP66_14_11e_2a14e_27e_6e:Cl-Cu-O-Se, expected Cu15Se6Cl11O27 to be Cu9Se4(Cl3O7)2" +mp-1104648,Na2Cu(SeO5)2,-5.2971993773,-1.0836682224,0.1520728347,0.1520728347,GGA,P-1,AB2C10D2_aP15_2_a_i_5i_i:Cu-Na-O-Se,15.0,AB2C10D2_aP15_2_a_i_5i_i:Cu-Na-O-Se +mp-1195946,Cu7Se2(Cl3O4)2,-4.7486714176,-0.9942801439,0.0103872348,0.0103872348,GGA,P2_1/c,A6B7C8D2_mP92_14_6e_ac6e_8e_2e:Cl-Cu-O-Se,92.0,A6B7C8D2_mP92_14_6e_ac6e_8e_2e:Cl-Cu-O-Se +mp-1225822,Cu5SeCl5O4,-4.504809605,-0.9700507402,0.0,-0.0048402443,GGA,P2_1,A5B5C4D_mP30_4_5a_5a_4a_a:Cl-Cu-O-Se,30.0,A5B5C4D_mP30_4_5a_5a_4a_a:Cl-Cu-O-Se +mp-1041817,ZnCr2CuO7,-6.9489026406,-1.5587329862,0.9169355237,0.9169355237,GGA+U,P2/c,A2BC7D_mP66_13_3g_eg_f10g_eg:Cr-Cu-O-Zn,66.0,"Invalid WP multiplicities - A2BC7D_mP66_13_9g_2e3g_2f38g_2e3g:Cr-Cu-O-Zn, expected Zn4Cr9Cu4O39 to be ZnCr2CuO7" +mp-1041447,ZnCr2(CuO4)2,-6.7082743408,-1.45152345,0.809797889,0.809797889,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cr-Cu-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_5e_6e_26e_e:Cr-Cu-O-Zn, expected ZnCr5(Cu3O13)2 to be ZnCr2(CuO4)2" +mp-1043069,ZnCr4(CuO4)3,-7.2081692905,-1.6316783887,1.0206446361,1.0206446361,GGA+U,Im-3,A4B3C12D_cI40_204_c_b_g_a:Cr-Cu-O-Zn,20.0,A4B3C12D_cI40_204_c_b_g_a:Cr-Cu-O-Zn +mp-1043900,CaLa(FeO3)2,-7.896879739,-2.5407015718,0.0007842218,0.0007842218,GGA+U,Pmn2_1,AB2CD6_oP20_31_a_b_a_2a2b:Ca-Fe-La-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_31_a_b_a_4a2b:Ca-Fe-La-O, expected CaLa(FeO4)2 to be CaLa(FeO3)2" +mp-1223100,La4Fe(NiO4)3,-7.8047166737,-2.5589804635,0.0088009072,0.0088009072,GGA+U,P-1,AB4C3D12_aP20_2_b_2i_ci_6i:Fe-La-Ni-O,40.0,AB4C3D12_aP20_2_b_2i_ci_6i:Fe-La-Ni-O +mp-1223166,La4Fe(NiO4)3,-7.8109970255,-2.5652608152000003,0.0025205555,0.0025205555,GGA+U,P-1,AB4C3D12_aP20_2_a_2i_beh_6i:Fe-La-Ni-O,20.0,"Invalid WP multiplicities - AB4C3D12_aP20_2_a_4i_beh_12i:Fe-La-Ni-O, expected La8Fe(NiO8)3 to be La4Fe(NiO4)3" +mp-1223077,La4Fe(NiO5)2,-8.0279993541,-2.7785164069,0.071067223,0.071067223,GGA+U,I4mm,AB4C2D10_tI34_107_a_4a_2a_4a3b:Fe-La-Ni-O,17.0,"Invalid WP multiplicities - AB4C2D10_tI34_107_a_4a_2a_4a4b:Fe-La-Ni-O, expected La4Fe(NiO6)2 to be La4Fe(NiO5)2" +mp-1272475,CaLa2FeO6,-8.0126126813,-3.0098359245,0.0475120901,0.0475120901,GGA+U,P-1,ABC2D6_aP10_2_b_d_i_3i:Ca-Fe-La-O,40.0,"Invalid WP multiplicities - ABC2D6_aP10_2_b_d_i_6i:Ca-Fe-La-O, expected CaLa2FeO12 to be CaLa2FeO6" +mp-1276311,CaLa2FeO6,-8.0102014593,-3.0074247025,0.0499233121,0.0499233121,GGA+U,P-1,ABC2D6_aP10_2_b_d_i_3i:Ca-Fe-La-O,40.0,"Invalid WP multiplicities - ABC2D6_aP10_2_b_d_i_6i:Ca-Fe-La-O, expected CaLa2FeO12 to be CaLa2FeO6" +mp-1410863,CaLa2FeO6,-7.979145001,-2.9763682443,0.0809797703,0.0809797703,GGA+U,R-3,ABC2D6_hR30_148_a_b_c_f:Ca-Fe-La-O,10.0,ABC2D6_hR30_148_a_b_c_f:Ca-Fe-La-O +mp-1223185,La4Fe3NiO12,-8.259506168,-2.7447815048,0.013610408,0.013610408,GGA+U,P-1,A3B4CD12_aP20_2_abe_2i_h_6i:Fe-La-Ni-O,20.0,"Invalid WP multiplicities - A3B4CD12_aP20_2_abe_4i_h_12i:Fe-La-Ni-O, expected La8Fe3NiO24 to be La4Fe3NiO12" +mp-1227525,CaLa2(FeO3)3,-8.0921379225,-2.6382795144,0.0072740747,0.0072740747,GGA+U,Pnma,AB3C2D9_oP60_62_c_ad_2c_3c3d:Ca-Fe-La-O,60.0,"Invalid WP multiplicities - AB3C2D9_oP60_62_c_4a5d_6c_11c21d:Ca-Fe-La-O, expected CaLa6Fe14O53 to be CaLa2(FeO3)3" +mp-1223335,La2FeNiO6,-8.043325082,-2.6630946452,0.0,-1.6007e-05,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Fe-La-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_d_5e:Fe-La-Ni-O, expected La2FeNiO10 to be La2FeNiO6" +mp-1227123,CaLaFeO4,-7.9338170993,-2.905476665,0.077631475,0.077631475,GGA+U,C222_1,ABCD4_oC28_20_a_a_a_2ac:Ca-Fe-La-O,14.0,"Invalid WP multiplicities - ABCD4_oC28_20_a_a_a_3ac:Ca-Fe-La-O, expected CaLaFeO5 to be CaLaFeO4" +mp-1227068,CaLaFeO4,-7.9347973614,-2.9064569271,0.0766512129,0.0766512129,GGA+U,I4mm,ABCD4_tI14_107_a_a_a_2ab:Ca-Fe-La-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Ca-Fe-La-O +mp-1223348,La5Fe4NiO15,-8.2955115688,-2.7538880602,0.023563306,0.023563306,GGA+U,C2/m,A4B5CD15_mC100_12_ad3i_5i_i_5i5j:Fe-La-Ni-O,50.0,"Invalid WP multiplicities - A4B5CD15_mC100_12_ac5i_9i_i_10i18j:Fe-La-Ni-O, expected La9Fe6NiO46 to be La5Fe4NiO15" +mp-1223413,La5Fe4NiO15,-8.2949623436,-2.7533388351,0.0241125312,0.0241125312,GGA+U,C2/m,A4B5CD15_mC100_12_ad3i_5i_i_5i5j:Fe-La-Ni-O,50.0,"Invalid WP multiplicities - A4B5CD15_mC100_12_ac6i_10i_i_9i20j:Fe-La-Ni-O, expected La10Fe7NiO49 to be La5Fe4NiO15" +mp-1638745,CaLaFeNiO6,-7.4364974175,-2.3493077032,0.0040918225,0.0015675483,GGA+U,P1,ABCDE6_aP20_1_2a_2a_2a_2a_12a:Ca-Fe-La-Ni-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Ni-O +mp-1043874,CaLaFeNiO6,-7.440589239999999,-2.3533995257,0.0,-0.0025242742,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Ni-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Ca-Fe-La-Ni-O, expected CaLaFeNiO10 to be CaLaFeNiO6" +mp-1227194,CaLa3(FeO3)4,-8.1876834485,-2.68498492,0.0126025669,0.0126025669,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Ca-Fe-La-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Ca-Fe-La-O, expected CaLa3(Fe2O5)4 to be CaLa3(FeO3)4" +mp-1519522,Sr2NdFeO6,-7.214488814,-2.5847600323,0.1282551324,0.1282551324,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Fe-Nd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Fe-Nd-O-Sr +mp-1218438,Sr3Nd(FeO4)2,-7.4330420043,-2.6937434398,0.0039982676,0.0039982676,GGA+U,Amm2,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Fe-Nd-O-Sr,14.0,A2BC8D3_oC28_38_ab_a_2a2bf_a2b:Fe-Nd-O-Sr +mp-1218798,Sr2Nd(FeO3)3,-7.6165581033,-2.4113983453,0.0,-0.0027864293,GGA+U,C2/c,A3BC9D2_mC60_15_af_e_e4f_f:Fe-Nd-O-Sr,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_c2f_e_2e14f_f:Fe-Nd-O-Sr, expected Sr2Nd(FeO6)5 to be Sr2Nd(FeO3)3" +mp-1218180,SrNd2Fe2O7,-7.9956141625,-2.7628931861,0.0754924064,0.0754924064,GGA+U,I4mm,A2B2C7D_tI24_107_2a_2a_3a2b_a:Fe-Nd-O-Sr,12.0,A2B2C7D_tI24_107_2a_2a_3a2b_a:Fe-Nd-O-Sr +mp-1218098,SrNdFeO4,-7.8140353943,-2.8548329742,0.0272785081,0.0272785081,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Fe-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Fe-Nd-O-Sr +mp-1516413,NaSrNdFeO6,-6.755819069,-2.1627871033,0.1685801755,0.1685801755,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Fe-Na-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Fe-Na-Nd-O-Sr +mp-1520356,Ba2PrTiO6,-7.8396696795,-3.2202216876,0.1093533286,0.1093533286,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Ti,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Ti +mp-1520146,Ba2PrTiO6,-7.839757988,-3.2203099961,0.1092650201,0.1092650201,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ti +mp-557074,BaPr2Ti3O10,-8.9338705859,-3.6442362352,0.0033806648,0.0033806648,GGA,Cmcm,AB10C2D3_oC64_63_c_a3c3f_2c_bf:Ba-O-Pr-Ti,32.0,"Invalid WP multiplicities - AB10C2D3_oC64_63_c_2a6c11f_2c_2b2f:Ba-O-Pr-Ti, expected BaPr2Ti6O30 to be BaPr2Ti3O10" +mp-1522037,BaPrDyTiO6,-8.393607765,-3.5053785831,0.1912325753,0.1912325753,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Pr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Pr-Ti +mp-1517360,BaDyTi4O12,-8.5323116322,-3.1174230555,0.1973140498,0.1973140498,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Dy-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Dy-O-Ti, expected BaDyTi4O16 to be BaDyTi4O12" +mp-1212369,Ho2Cu(SiO3)4,-8.2076225816,-3.2431193676,0.0179619582,0.0179619582,GGA,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Cu-Ho-O-Si,19.0,AB2C12D4_aP19_2_a_i_6i_2i:Cu-Ho-O-Si +mp-1043306,MgCu(Si2O5)2,-7.6996870122,-2.8954591402,0.0720329616,0.0720329616,GGA,P4/ncc,ABC10D4_tP64_130_c_b_f2g_g:Cu-Mg-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_c_b_f5g_g:Cu-Mg-O-Si, expected MgCu(Si2O11)2 to be MgCu(Si2O5)2" +mp-1254120,Mg3Cu2(Si2O7)2,-7.1535078198,-2.6337614038,0.0843136453,0.0843136453,GGA,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Cu-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Cu-Mg-O-Si, expected Mg3CuSi5O27 to be Mg3Cu2(Si2O7)2" +mp-1248614,MgCu(SiO3)2,-7.317943229,-2.6949177242,0.092250385,0.092250385,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cu-Mg-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Cu-Mg-O-Si +mp-1041479,MgCu(SiO3)2,-7.3591211124,-2.7360956076000003,0.0510725016,0.0510725016,GGA,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Cu-Mg-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Cu-Mg-O-Si, expected MgCuSi8O41 to be MgCu(SiO3)2" +mp-1233437,Ho2MgCu(SiO3)4,-7.908702008,-3.1124099523,0.2101055173,0.2101055173,GGA,P1,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Mg-O-Si,20.0,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Mg-O-Si +mp-1234765,Ho2MgCu(SiO3)4,-7.8749020665,-3.0786100108,0.2439054588,0.2439054588,GGA,C2/m,AB2CD12E4_mC40_12_a_g_c_hi2j_j:Cu-Ho-Mg-O-Si,20.0,"Invalid WP multiplicities - AB2CD12E4_mC40_12_a_g_d_hi4j_j:Cu-Ho-Mg-O-Si, expected Ho2MgCu(SiO5)4 to be Ho2MgCu(SiO3)4" +mp-1035249,Mg14CuSiO16,-6.2756736881,-2.8045654137,0.1908819678,0.1908819678,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Si, expected Mg18CuSiO20 to be Mg14CuSiO16" +mp-1035222,Mg14CuSiO16,-6.2552283944,-2.78412012,0.2113272616,0.2113272616,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Si, expected Mg30CuSiO32 to be Mg14CuSiO16" +mp-1037409,Mg30CuSiO32,-6.2931397155,-2.920843388,0.1039004525,0.1039004525,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Si, expected Mg110CuSiO72 to be Mg30CuSiO32" +mp-1037328,Mg30CuSiO32,-6.3043591453,-2.9320628178,0.0926810227,0.0926810227,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Si, expected Mg90CuSiO80 to be Mg30CuSiO32" +mp-1205678,Ho2MgSi2,-5.006090928,-0.6829441580000001,0.0,-0.0455605989,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Ho-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:Ho-Mg-Si +mp-1205563,Ho2MgCu2,-4.027971995,-0.235269769,0.0,-0.0169737599,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Cu-Ho-Mg,10.0,A2B2C_tP10_127_g_h_a:Cu-Ho-Mg +mp-766403,Mg3Cu9(SiO3)16,-7.3054536376,-2.4904556534,0.0695460477,0.0695460477,GGA,P-1,A9B3C48D16_aP76_2_b4i_ci_24i_8i:Cu-Mg-O-Si,76.0,"Invalid WP multiplicities - A9B3C48D16_aP76_2_b7i_ci_46i_16i:Cu-Mg-O-Si, expected Mg3Cu15(Si8O23)4 to be Mg3Cu9(SiO3)16" +mp-13226,HoMg2Cu9,-3.8983235267,-0.1753377767,0.0,-0.004894665,GGA,P6_3/mmc,A9BC2_hP24_194_abck_d_f:Cu-Ho-Mg,24.0,"Invalid WP multiplicities - A9BC2_hP24_194_abc2k_d_f:Cu-Ho-Mg, expected HoMg2Cu15 to be HoMg2Cu9" +mp-1098218,Mg30CuSiO32,-6.3041371313,-2.9318408038,0.0929030367,0.0929030367,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Si, expected Mg90CuSiO80 to be Mg30CuSiO32" +mp-1098339,Mg30CuSiO32,-6.2929686002,-2.9206722727,0.1040715678,0.1040715678,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Si, expected Mg110CuSiO72 to be Mg30CuSiO32" +mp-756830,MgCu2(SiO3)4,-7.3379657116,-2.5558483408,0.0632292051,0.0632292051,GGA,P-1,A2BC12D4_aP19_2_i_a_6i_2i:Cu-Mg-O-Si,19.0,"Invalid WP multiplicities - A2BC12D4_aP19_2_i_a_10i_3i:Cu-Mg-O-Si, expected MgCu2(Si3O10)2 to be MgCu2(SiO3)4" +mp-2223095,Ho2MgCuO4,-6.6997171675,-2.3683347544,0.9166947323,0.9166947323,GGA,I4/mmm,AB2CD4_tI16_139_a_e_b_cd:Cu-Ho-Mg-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_139_a_e_b_2c2d:Cu-Ho-Mg-O, expected Ho2MgCuO8 to be Ho2MgCuO4" +mp-1265011,Mg3Cu2(SiO4)3,-6.9469359949000005,-2.5151623891,0.1204191039,0.1204191039,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cu-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cu-Mg-O-Si +mp-1032273,Mg6CuSiO8,-6.183964975,-2.5152328069000003,0.4216216569,0.4216216569,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Si, expected Mg6CuSiO12 to be Mg6CuSiO8" +mp-1032102,Mg6CuSiO8,-6.21846721,-2.5497350419,0.3871194219,0.3871194219,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Si, expected Mg6CuSiO12 to be Mg6CuSiO8" +mp-2225394,EuMgFeO3,-7.81829612,-1.957067921,0.6476466781,0.6476466781,GGA+U,P4/mmm,ABCD3_tP6_123_a_d_b_ce:Eu-Fe-Mg-O,6.0,ABCD3_tP6_123_a_d_b_ce:Eu-Fe-Mg-O +mp-2226109,EuMgFeO3,-7.9326733,-2.071445101,0.5332694981,0.5332694981,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:Eu-Fe-Mg-O,6.0,ABCD3_hR18_160_a_a_a_b:Eu-Fe-Mg-O +mp-2230294,Eu4Mg(Fe2O5)2,-8.9763153953,-2.3460385951,0.1357098075,0.1357098075,GGA+U,Cm,A4B4CD10_mC38_8_2b_2ab_a_2a4b:Eu-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B4CD10_mC38_8_3b_2ab_a_2a6b:Eu-Fe-Mg-O, expected Eu6Mg(Fe2O7)2 to be Eu4Mg(Fe2O5)2" +mp-1067840,EuMg2Fe,-5.1320825775,0.3498132,0.4359128263,0.4359128263,GGA,P-3m1,ABC2_hP4_164_a_b_d:Eu-Fe-Mg,4.0,ABC2_hP4_164_a_b_d:Eu-Fe-Mg +mp-2223114,Eu2MgFe2O5,-8.635053911,-2.2562769484,0.2585725107,0.2585725107,GGA+U,Pm,A2B2CD5_mP10_6_ab_c_a_b2c:Eu-Fe-Mg-O,10.0,A2B2CD5_mP10_6_ab_c_a_b2c:Eu-Fe-Mg-O +mp-2241404,Eu2MgFe2O5,-8.325542083,-1.9467651204,0.5680843387,0.5680843387,GGA+U,Pmmm,A2B2CD5_oP10_47_cd_k_a_eil:Eu-Fe-Mg-O,10.0,A2B2CD5_oP10_47_cd_k_a_eil:Eu-Fe-Mg-O +mp-2240715,BaEuMgFe2O5,-7.672358165,-2.1273838884,0.3244021422,0.3244021422,GGA+U,Amm2,ABC2DE5_oC20_38_a_b_c_b_af:Ba-Eu-Fe-Mg-O,10.0,ABC2DE5_oC20_38_a_b_c_b_af:Ba-Eu-Fe-Mg-O +mp-2240372,BaEuMgFe2O5,-7.497559087,-1.9525848104,0.4992012202,0.4992012202,GGA+U,Pmmm,ABC2DE5_oP10_47_c_d_k_a_eil:Ba-Eu-Fe-Mg-O,10.0,ABC2DE5_oP10_47_c_d_k_a_eil:Ba-Eu-Fe-Mg-O +mp-2217483,BaEuMgFe2O5,-7.6077641,-2.0627898234,0.3889962072,0.3889962072,GGA+U,P4mm,ABC2DE5_tP10_99_a_a_2b_a_b2c:Ba-Eu-Fe-Mg-O,10.0,"Invalid WP multiplicities - ABC2DE5_tP10_99_a_a_2b_a_b4c:Ba-Eu-Fe-Mg-O, expected BaEuMgFe2O9 to be BaEuMgFe2O5" +mp-866015,CaPrZn2,-2.6339924425,-0.3074942288,0.0,-0.0270865387,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Pr-Zn +mp-1227270,CaTi8Zn2O19,-8.6532311763,-3.2640275514,0.0237784317,0.0237784317,GGA,P1,AB19C8D2_aP60_1_2a_38a_16a_4a:Ca-O-Ti-Zn,60.0,AB19C8D2_aP60_1_2a_38a_16a_4a:Ca-O-Ti-Zn +mp-686602,CaPr2Ti2ZnO9,-8.2801370738,-3.4042479115,0.0256584567,0.0256584567,GGA,P1,AB9C2D2E_aP60_1_4a_36a_8a_8a_4a:Ca-O-Pr-Ti-Zn,60.0,AB9C2D2E_aP60_1_4a_36a_8a_8a_4a:Ca-O-Pr-Ti-Zn +mp-1044426,CaPrTi2O6,-8.813064408,-3.5873022144,0.0,-0.0139540882,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Ca-O-Pr-Ti,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Ca-O-Pr-Ti, expected CaPrTi2O12 to be CaPrTi2O6" +mp-1044485,PrTi2ZnO6,-8.2991902615,-3.1480136949,0.1280052388,0.1280052388,GGA,Pmn2_1,A6BC2D_oP20_31_2a2b_a_b_a:O-Pr-Ti-Zn,20.0,"Invalid WP multiplicities - A6BC2D_oP20_31_4a4b_a_b_a:O-Pr-Ti-Zn, expected PrTi2ZnO12 to be PrTi2ZnO6" +mp-1192837,AlSb5Se5Cl4,-4.2442767213,-0.9599909841,0.0003983818,0.0003983818,GGA,P-1,AB4C5D5_aP30_2_i_4i_5i_5i:Al-Cl-Sb-Se,30.0,AB4C5D5_aP30_2_i_4i_5i_5i:Al-Cl-Sb-Se +mp-1048241,AlSb3Se2ClO8,-5.687816504,-1.3847199136,0.4409030947,0.4409030947,GGA,Pmm2,ABC8D3E2_oP30_25_ad_bc_2e2f2i_adi_ef:Al-Cl-O-Sb-Se,30.0,"Invalid WP multiplicities - ABC8D3E2_oP30_25_ad_bc_4e4f6i_ad2i_2e2f:Al-Cl-O-Sb-Se, expected AlSb5Se4ClO20 to be AlSb3Se2ClO8" +mp-1048178,Sb3Se2ClO8,-5.5724989782000005,-1.2295794764,0.2774954491,0.2774954491,GGA,Pmmn,AB8C3D2_oP28_59_a_2eg_bc_e:Cl-O-Sb-Se,28.0,"Invalid WP multiplicities - AB8C3D2_oP28_59_a_5e3g_b2c_e:Cl-O-Sb-Se, expected Sb5Se2ClO22 to be Sb3Se2ClO8" +mp-572726,SbSeCl7O,-3.6651417311,-1.1140059262,0.0,-0.0236390437,GGA,P2_1/c,A7BCD_mP80_14_14e_2e_2e_2e:Cl-O-Sb-Se,80.0,"Invalid WP multiplicities - A7BCD_mP80_14_54e_6e_6e_6e:Cl-O-Sb-Se, expected SbSeCl9O to be SbSeCl7O" +mp-1194909,AlSb2(SeCl2)2,-4.2335156925,-1.301343703,0.0,-0.0235531111,GGA,P-1,AB4C2D2_aP36_2_2i_8i_4i_4i:Al-Cl-Sb-Se,36.0,AB4C2D2_aP36_2_2i_8i_4i_4i:Al-Cl-Sb-Se +mp-1036147,SrMg14MnO16,-6.4046567578,-2.892080232,0.0963039134,0.0963039134,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Sr, expected SrMg18MnO20 to be SrMg14MnO16" +mp-1036160,SrMg14MnO16,-6.4100649566,-2.8974884308,0.0908957147,0.0908957147,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Sr,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Sr, expected SrMg30MnO32 to be SrMg14MnO16" +mp-2228187,Sr2MgMnO4,-6.9386020925,-2.6975974558,0.0997399012,0.0997399012,GGA+U,P4mm,ABC4D2_tP8_99_a_b_abc_ab:Mg-Mn-O-Sr,8.0,ABC4D2_tP8_99_a_b_abc_ab:Mg-Mn-O-Sr +mp-2227561,Sr2MgMnO4,-6.5672354512,-2.3262308145,0.4711065425,0.4711065425,GGA+U,I-4m2,ABC4D2_tI16_119_c_a_ef_e:Mg-Mn-O-Sr,8.0,ABC4D2_tI16_119_c_a_ef_e:Mg-Mn-O-Sr +mp-2227896,Sr2MgMnO4,-6.6179295025,-2.3769248658,0.4204124912,0.4204124912,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Mg-Mn-O-Sr,8.0,ABC4D2_tI16_139_a_b_ce_e:Mg-Mn-O-Sr +mp-23597,Sr4Mn3(ClO4)2,-7.1781901594,-2.6185076477,0.0,-0.0061097347,GGA+U,I4/mmm,A2B3C8D4_tI34_139_e_ae_ceg_2e:Cl-Mn-O-Sr,17.0,"Invalid WP multiplicities - A2B3C8D4_tI34_139_e_ae_c2e3g_2e:Cl-Mn-O-Sr, expected Sr4Mn3(ClO9)2 to be Sr4Mn3(ClO4)2" +mp-2210609,SrMgMnO3,-6.6228165317,-2.0741740435,0.6297001017,0.6297001017,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Mn-O-Sr,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Mn-O-Sr +mp-2210709,SrMgMnO3,-6.7677538717,-2.2191113835,0.4847627617,0.4847627617,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Mn-O-Sr,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Mn-O-Sr +mp-2230221,Sr3MgMn4O12,-7.360683322,-2.2268290163,0.2417829344,0.2417829344,GGA+U,Cm,AB4C12D3_mC40_8_a_4a_4a4b_3a:Mg-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_mC40_8_a_4a_4a7b_3a:Mg-Mn-O-Sr, expected Sr3MgMn4O18 to be Sr3MgMn4O12" +mp-1028062,SrMg14Mn,-1.9802781156,0.0981862247,0.1329031597,0.1329031597,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Sr, expected SrMg18Mn to be SrMg14Mn" +mp-1028053,SrMg14Mn,-1.9757646831,0.1026996572,0.1374165922,0.1374165922,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Sr, expected SrMg26Mn to be SrMg14Mn" +mp-2228330,Sr4MgMn4O10,-7.4511407679,-2.4788669708,0.1321097714,0.1321097714,GGA+U,P1,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Mn-O-Sr,19.0,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Mn-O-Sr +mp-2228427,Sr4MgMn4O10,-7.4600224811,-2.487748684,0.1232280582,0.1232280582,GGA+U,P1,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Mn-O-Sr,19.0,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Mn-O-Sr +mp-2228369,Sr4MgMn4O10,-7.47723845,-2.5049646529,0.1060120893,0.1060120893,GGA+U,Cm,AB4C10D4_mC38_8_a_2ab_2a4b_2b:Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB4C10D4_mC38_8_a_2ab_2a6b_3b:Mg-Mn-O-Sr, expected Sr6MgMn4O14 to be Sr4MgMn4O10" +mp-2229285,Sr4MgMn3(ClO4)2,-6.8927626617,-2.4974913978,0.1883105278,0.1883105278,GGA+U,I4mm,A2BC3D8E4_tI36_107_2a_a_3a_2a3b_4a:Cl-Mg-Mn-O-Sr,18.0,"Invalid WP multiplicities - A2BC3D8E4_tI36_107_2a_a_3a_2a5b_4a:Cl-Mg-Mn-O-Sr, expected Sr4MgMn3(ClO6)2 to be Sr4MgMn3(ClO4)2" +mp-2229807,Sr4MgMn3(ClO4)2,-6.8177408378,-2.4224695739,0.2633323517,0.2633323517,GGA+U,I-4m2,A2BC3D8E4_tI36_119_e_c_ae_e3f_2e:Cl-Mg-Mn-O-Sr,18.0,"Invalid WP multiplicities - A2BC3D8E4_tI36_119_e_c_ae_2e4f_2e:Cl-Mg-Mn-O-Sr, expected Sr4MgMn3(ClO6)2 to be Sr4MgMn3(ClO4)2" +mp-542187,Sr2MnClO3,-6.90970384,-2.7340459839,0.0,-0.005054649,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:Cl-Mn-O-Sr,14.0,ABC3D2_tP14_129_c_c_cf_2c:Cl-Mn-O-Sr +mp-1038040,SrMg30MnO32,-6.3738347506,-2.9808042974,0.040407925,0.040407925,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Sr, expected SrMg110MnO72 to be SrMg30MnO32" +mp-1038085,SrMg30MnO32,-6.3713537387,-2.9783232855,0.0428889369,0.0428889369,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Sr,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Sr, expected SrMg90MnO80 to be SrMg30MnO32" +mp-2218972,Sr3MgMn2O7,-7.2657407869,-2.679616789,0.0522538683,0.0522538683,GGA+U,Pmm2,AB2C7D3_oP13_25_a_ad_2a2b2cd_a2d:Mg-Mn-O-Sr,13.0,AB2C7D3_oP13_25_a_ad_2a2b2cd_a2d:Mg-Mn-O-Sr +mp-2228145,Sr3MgMn2O7,-6.9055417985,-2.3194178005,0.4124528567,0.4124528567,GGA+U,Immm,AB2C7D3_oI26_71_c_e_ae2f_be:Mg-Mn-O-Sr,13.0,"Invalid WP multiplicities - AB2C7D3_oI26_71_c_e_a2e4f_be:Mg-Mn-O-Sr, expected Sr3MgMn2O13 to be Sr3MgMn2O7" +mp-2218909,Sr3MgMn2O7,-7.0847375108,-2.4986135129,0.2332571444,0.2332571444,GGA+U,I-4m2,AB2C7D3_tI26_119_c_e_ae2f_be:Mg-Mn-O-Sr,13.0,"Invalid WP multiplicities - AB2C7D3_tI26_119_c_e_a2e3f_be:Mg-Mn-O-Sr, expected Sr3MgMn2O11 to be Sr3MgMn2O7" +mp-1234842,Sr8MgMn6O20,-7.3712650583,-2.5420623825,0.0970938535,0.0970938535,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-1234849,Sr8MgMn6O20,-7.3869923543,-2.5577896785,0.0813665575,0.0813665575,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216743,Sr8MgMn6O20,-7.3604385951,-2.5312359193,0.1079203166,0.1079203166,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216973,Sr8MgMn6O20,-7.3615444609,-2.532341785,0.1068144509,0.1068144509,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216849,Sr8MgMn6O20,-7.3711990526,-2.5419963767,0.0971598592,0.0971598592,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216785,Sr8MgMn6O20,-7.3998332591,-2.5706305833,0.0685256526,0.0685256526,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216739,Sr8MgMn6O20,-7.391109494,-2.5619068182,0.0772494177,0.0772494177,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216868,Sr8MgMn6O20,-7.3723974849,-2.543194809,0.0959614269,0.0959614269,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2220228,Sr8MgMn6O20,-7.3567039329,-2.527501257,0.1116549789,0.1116549789,GGA+U,P1,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr,35.0,AB6C20D8_aP35_1_a_6a_20a_8a:Mg-Mn-O-Sr +mp-2216760,Sr8MgMn6O20,-7.3931169846,-2.5639143087000003,0.0752419272,0.0752419272,GGA+U,Cm,AB6C20D8_mC70_8_a_6a_8a6b_8a:Mg-Mn-O-Sr,35.0,"Invalid WP multiplicities - AB6C20D8_mC70_8_a_6a_8a11b_8a:Mg-Mn-O-Sr, expected Sr8MgMn6O30 to be Sr8MgMn6O20" +mp-2217020,Sr8MgMn6O20,-7.34516003,-2.5159573542,0.1231988817,0.1231988817,GGA+U,C2/m,AB6C20D8_mC70_12_a_bc2i_4i3j_4i:Mg-Mn-O-Sr,35.0,"Invalid WP multiplicities - AB6C20D8_mC70_12_b_ac2i_5i5j_4i:Mg-Mn-O-Sr, expected Sr8MgMn6O30 to be Sr8MgMn6O20" +mp-2227745,Sr4MgMn2(ClO3)2,-6.5098425073,-2.505876505,0.2491754196,0.2491754196,GGA+U,Pmm2,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Mn-O-Sr,15.0,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Mn-O-Sr +mp-2228751,Sr4MgMn2(ClO3)2,-6.536343774,-2.5323777717,0.2226741529,0.2226741529,GGA+U,P4mm,A2BC2D6E4_tP15_99_ab_a_ab_ab2c_2a2b:Cl-Mg-Mn-O-Sr,15.0,A2BC2D6E4_tP15_99_ab_a_ab_ab2c_2a2b:Cl-Mg-Mn-O-Sr +mp-2227030,Sr4MgMn2(ClO3)2,-6.4954375527,-2.4914715503,0.2635803742,0.2635803742,GGA+U,P-4m2,A2BC2D6E4_tP15_115_g_a_g_efg_2g:Cl-Mg-Mn-O-Sr,15.0,"Invalid WP multiplicities - A2BC2D6E4_tP15_115_g_a_g_e2fg_2g:Cl-Mg-Mn-O-Sr, expected Sr4MgMn2(ClO4)2 to be Sr4MgMn2(ClO3)2" +mp-2226734,Sr4MgMn2(ClO3)2,-6.4679272433,-2.463961241,0.2910906836,0.2910906836,GGA+U,P-4m2,A2BC2D6E4_tP15_115_g_a_g_efg_2g:Cl-Mg-Mn-O-Sr,15.0,"Invalid WP multiplicities - A2BC2D6E4_tP15_115_g_a_g_2efg_2g:Cl-Mg-Mn-O-Sr, expected Sr4MgMn2(ClO4)2 to be Sr4MgMn2(ClO3)2" +mp-1023063,SrMg6Mn,-2.3493762431,0.2072723876,0.2555072446,0.2555072446,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Sr, expected SrMg12Mn to be SrMg6Mn" +mp-1032448,SrMg6MnO8,-6.5045311812,-2.7528625103,0.1698654812,0.1698654812,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Sr, expected SrMg6MnO12 to be SrMg6MnO8" +mp-1032466,SrMg6MnO8,-6.4784203225,-2.7267516515,0.19597634,0.19597634,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Sr,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Sr, expected SrMg6MnO12 to be SrMg6MnO8" +mp-28088,Ca5(AlBi3)2,-3.7328602846,-0.6126998354000001,0.0084848222,0.0084848222,GGA,Pbam,A2B6C5_oP26_55_h_g2h_a2g:Al-Bi-Ca,26.0,A2B6C5_oP26_55_h_g2h_a2g:Al-Bi-Ca +mp-1368847,Ca2AlBiO5,-6.8191011611,-2.7823557971,0.1406319469,0.1406319469,GGA,P1,ABC2D5_aP18_1_2a_2a_4a_10a:Al-Bi-Ca-O,18.0,ABC2D5_aP18_1_2a_2a_4a_10a:Al-Bi-Ca-O +mp-1251079,Ca2AlBiO5,-6.8205655033,-2.7838201393,0.1391676047,0.1391676047,GGA,Cc,ABC2D5_mC36_9_a_a_2a_5a:Al-Bi-Ca-O,18.0,"Invalid WP multiplicities - ABC2D5_mC36_9_a_a_3a_8a:Al-Bi-Ca-O, expected Ca3AlBiO8 to be Ca2AlBiO5" +mp-1522941,CaEuAlBiO6,-7.1676750837,-2.214795193,0.5908050016,0.5908050016,GGA,P222,ABCDE6_oP40_16_u_u_abcf_degh_6u:Al-Bi-Ca-Eu-O,,ABCDE6_oP40_16_u_u_abcf_degh_6u:Al-Bi-Ca-Eu-O +mp-1523034,CaEuAlBiO6,-7.554961918,-2.6020820272,0.2035181674,0.2035181674,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-Ca-Eu-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-Ca-Eu-O +mp-1369579,Mg2FeSbO6,-6.8284948105000005,-2.2805233288,0.0764758886,0.0764758886,GGA+U,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Fe-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Fe-Mg-O-Sb, expected Mg2FeSbO16 to be Mg2FeSbO6" +mp-1043995,LaFeSbO6,-7.4346840383,-2.1885549469,0.1864636251,0.1864636251,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-Sb,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_10a_a:Fe-La-O-Sb, expected LaFeSbO10 to be LaFeSbO6" +mp-1403741,La2MgSbO6,-7.544756084,-3.0166133072,0.1718516514,0.1718516514,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Sb,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Sb +mp-1026725,LaMg14Sb,-2.043898155,-0.0770900897,0.1068327381,0.1068327381,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Sb, expected LaMg18Sb to be LaMg14Sb" +mp-1026722,LaMg14Sb,-1.9915863219,-0.0247782566,0.1591445712,0.1591445712,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Sb, expected LaMg26Sb to be LaMg14Sb" +mp-2228347,MgFe(SbO3)4,-6.6841197039,-1.9093102175,0.1399506321,0.1399506321,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb +mp-2229252,MgFe(SbO3)4,-6.6862277378,-1.9114182514,0.1378425982,0.1378425982,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb +mp-2229756,MgFe(SbO3)4,-6.6659446089,-1.8911351225,0.1581257271,0.1581257271,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb +mp-2228847,MgFe(SbO3)4,-6.6835222589,-1.9087127725,0.1405480771,0.1405480771,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Fe-Mg-O-Sb +mp-1042658,Mg3Fe4(SbO4)6,-6.8042334765,-1.8805723549,0.2069511924,0.2069511924,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mg-O-Sb,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_2i_ai_13i_5i:Fe-Mg-O-Sb, expected Mg3Fe4(Sb5O13)2 to be Mg3Fe4(SbO4)6" +mp-1192585,La6Mg23Sb,-2.5447104893,-0.192994322,0.0,-0.0083422385,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:La-Mg-Sb,30.0,A6B23C_cF120_225_e_ad2f_b:La-Mg-Sb +mp-2222767,MgFeSbO4,-6.71598831,-1.8608372607,0.2790627666,0.2790627666,GGA+U,P2/m,ABC4D_mP7_10_e_b_mn_c:Fe-Mg-O-Sb,7.0,ABC4D_mP7_10_d_c_mn_b:Fe-Mg-O-Sb +mp-2240530,MgFeSbO4,-6.6722084329,-1.8170573836,0.3228426437,0.3228426437,GGA+U,Amm2,ABC4D_oC14_38_b_a_2bd_a:Fe-Mg-O-Sb,7.0,ABC4D_oC14_38_b_a_2bd_a:Fe-Mg-O-Sb +mp-2230937,MgFe2(SbO3)4,-6.7833820242,-1.8140877103,0.16040684,0.16040684,GGA+U,P2,A2BC12D4_mP19_3_bc_a_6e_2b2c:Fe-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_3_ab_c_8e_2a2b:Fe-Mg-O-Sb, expected MgFe2(SbO4)4 to be MgFe2(SbO3)4" +mp-2230359,MgFe2(SbO3)4,-6.7126629595,-1.7433686455,0.2311259048,0.2311259048,GGA+U,P-4,A2BC12D4_tP19_81_g_a_3h_2g:Fe-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_tP19_81_g_a_5h_4g:Fe-Mg-O-Sb, expected MgFe2(Sb2O5)4 to be MgFe2(SbO3)4" +mp-2218640,MgFe2(SbO4)2,-7.0122251815,-1.90669944,0.106012703,0.106012703,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Sb,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Sb +mp-2218651,MgFe2(SbO4)2,-6.9008256923,-1.7952999508,0.2174121922,0.2174121922,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_8_2a_a_4a4b_2a:Fe-Mg-O-Sb, expected MgFe2(SbO6)2 to be MgFe2(SbO4)2" +mp-2218792,MgFe2(SbO4)2,-6.9666981115,-1.86117237,0.151539773,0.151539773,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Fe-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_8_2a_a_4a4b_2a:Fe-Mg-O-Sb, expected MgFe2(SbO6)2 to be MgFe2(SbO4)2" +mp-1017462,LaMg6Sb,-2.4899749869,-0.1566389062,0.1957550793,0.1957550793,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Sb, expected LaMg12Sb to be LaMg6Sb" +mp-1021156,LaMg6Sb,-2.5002447731,-0.1669086925,0.1854852931,0.1854852931,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Sb, expected LaMg12Sb to be LaMg6Sb" +mp-694938,BaLa4TiCr4O15,-8.923050015,-3.228209378,0.0283000714,0.0283000714,GGA+U,P-1,AB4C4D15E_aP50_2_i_4i_4i_15i_ac:Ba-Cr-La-O-Ti,50.0,"Invalid WP multiplicities - AB4C4D15E_aP50_2_i_7i_7i_29i_ac:Ba-Cr-La-O-Ti, expected BaLa7TiCr7O29 to be BaLa4TiCr4O15" +mp-1352809,BaLa4TiCr4O15,-8.7533248746,-3.0584842376,0.1980252118,0.1980252118,GGA+U,C2/c,AB4C4D15E_mC100_15_e_2f_4e_5e5f_c:Ba-Cr-La-O-Ti,50.0,"Invalid WP multiplicities - AB4C4D15E_mC100_15_e_5f_7e_10e19f_a:Ba-Cr-La-O-Ti, expected BaLa7TiCr10O48 to be BaLa4TiCr4O15" +mp-1227678,BaLa4TiCr4O15,-8.8943237128,-3.1994830758,0.0570263736,0.0570263736,GGA+U,Cmmm,AB4C4D15E_oC50_65_a_2h_2g_bf2g2q_c:Ba-Cr-La-O-Ti,25.0,"Invalid WP multiplicities - AB4C4D15E_oC50_65_a_4h_2g_bf2g2q_c:Ba-Cr-La-O-Ti, expected BaLa4TiCr8O15 to be BaLa4TiCr4O15" +mp-699403,BaLa3TiCr3O12,-8.8902158862,-3.2431211254,0.0281690061,0.0281690061,GGA+U,P2/c,AB3C3D12E_mP40_13_f_ag_2ef_2e2f4g_c:Ba-Cr-La-O-Ti,40.0,"Invalid WP multiplicities - AB3C3D12E_mP40_13_e_2a3g_2e3f_4e3f14g_c:Ba-Cr-La-O-Ti, expected BaLa5TiCr8O35 to be BaLa3TiCr3O12" +mp-1227949,BaLa3TiCr3O12,-8.870100899,-3.2230061382,0.0482839934,0.0482839934,GGA+U,Pmmm,AB3C3D12E_oP20_47_c_fl_di_abj2x_e:Ba-Cr-La-O-Ti,40.0,"Invalid WP multiplicities - AB3C3D12E_oP20_47_c_2f2l_di_abj2x_e:Ba-Cr-La-O-Ti, expected BaLa3TiCr6O12 to be BaLa3TiCr3O12" +mp-697840,Ba3La7Ti3Cr7O30,-8.8559173258,-3.2565684411,0.0295023726,0.0295023726,GGA+U,P1,A3B7C7D30E3_aP50_1_3a_7a_7a_30a_3a:Ba-Cr-La-O-Ti,50.0,A3B7C7D30E3_aP50_1_3a_7a_7a_30a_3a:Ba-Cr-La-O-Ti +mp-41732,BaLa2TiCr2O9,-8.6358298444,-3.0683115439,0.2276130579,0.2276130579,GGA+U,Cmmm,AB2C2D9E_oC90_65_ag_3h_3g_bf4g4q_ch:Ba-Cr-La-O-Ti,45.0,"Invalid WP multiplicities - AB2C2D9E_oC90_65_a2g_5h_5g_b2f7g13q_c2h:Ba-Cr-La-O-Ti, expected Ba5La10Ti5Cr10O71 to be BaLa2TiCr2O9" +mp-1227920,BaLa2TiCr2O9,-8.8255069987,-3.2579886981,0.0379359037,0.0379359037,GGA+U,Cmmm,AB2C2D9E_oC30_65_a_h_g_bfgq_c:Ba-Cr-La-O-Ti,30.0,AB2C2D9E_oC30_65_a_h_g_bfgq_c:Ba-Cr-La-O-Ti +mp-39208,BaLaTiCrO6,-8.7065168312,-3.2981514513,0.047042091,0.047042091,GGA+U,Pmma,ABCD6E_oP40_51_2f_2e_2f_ac4f3i_2e:Ba-Cr-La-O-Ti,40.0,"Invalid WP multiplicities - ABCD6E_oP40_51_3f_4e_3f_2a2c6f11i_4e:Ba-Cr-La-O-Ti, expected Ba3La3Ti4Cr4O32 to be BaLaTiCrO6" +mp-1227861,BaLaTiCrO6,-8.6999572415,-3.2915918616,0.0536016808,0.0536016808,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-La-O-Ti,40.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-La-O-Ti +mp-755384,La3Ti3CrO12,-9.2112606512,-3.5529548949,0.0453552732,0.0453552732,GGA+U,P1,AB3C12D3_aP19_1_a_3a_12a_3a:Cr-La-O-Ti,76.0,AB3C12D3_aP19_1_a_3a_12a_3a:Cr-La-O-Ti +mp-684820,Ba3La2Ti3Cr2O15,-8.6598130732,-3.3469394457,0.027815461,0.027815461,GGA+U,Cmmm,A3B2C2D15E3_oC50_65_ag_h_g_bf2g2q_ch:Ba-Cr-La-O-Ti,50.0,A3B2C2D15E3_oC50_65_ag_h_g_bf2g2q_ch:Ba-Cr-La-O-Ti +mp-766382,La2Ti2CrO9,-9.0628871766,-3.3602983113,0.0525906742,0.0525906742,GGA+U,P2_1,AB2C9D2_mP56_4_2a_4a_18a_4a:Cr-La-O-Ti,56.0,"Invalid WP multiplicities - AB2C9D2_mP56_4_3a_6a_35a_8a:Cr-La-O-Ti, expected La6Ti8Cr3O35 to be La2Ti2CrO9" +mp-1276293,La2TiCrO6,-9.1106670775,-3.4005984811,0.0810239917,0.0810239917,GGA+U,P-1,AB2C6D_aP40_2_2i_4i_12i_2i:Cr-La-O-Ti,40.0,"Invalid WP multiplicities - AB2C6D_aP40_2_2i_8i_24i_2i:Cr-La-O-Ti, expected La4TiCrO12 to be La2TiCrO6" +mp-1279644,La2TiCrO6,-9.1106527315,-3.4005841351,0.0810383377,0.0810383377,GGA+U,P-1,AB2C6D_aP20_2_bc_2i_6i_i:Cr-La-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_2a_4i_12i_i:Cr-La-O-Ti, expected La4TiCrO12 to be La2TiCrO6" +mp-1276363,La2TiCrO6,-9.1107720295,-3.4007034331,0.0809190397,0.0809190397,GGA+U,P-1,AB2C6D_aP40_2_2i_4i_12i_2i:Cr-La-O-Ti,40.0,"Invalid WP multiplicities - AB2C6D_aP40_2_2i_8i_24i_3i:Cr-La-O-Ti, expected La8Ti3Cr2O24 to be La2TiCrO6" +mp-1277771,La2TiCrO6,-9.1118406655,-3.4017720691,0.0798504037,0.0798504037,GGA+U,P-1,AB2C6D_aP20_2_ah_2i_6i_be:Cr-La-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_ah_4i_12i_be:Cr-La-O-Ti, expected La4TiCrO12 to be La2TiCrO6" +mp-1225793,La2TiCrO6,-9.104245876,-3.3941772796,0.0874451932,0.0874451932,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Cr-La-O-Ti,10.0,AB2C6D_hR30_148_a_c_f_b:Cr-La-O-Ti +mp-1228511,Ba2Ti4Cr2O13,-8.9163696374,-3.2481331549,0.0072595117,0.0072595117,GGA+U,C2/m,A2B2C13D4_mC42_12_i_i_a6i_2i:Ba-Cr-O-Ti,42.0,A2B2C13D4_mC42_12_i_i_a6i_2i:Ba-Cr-O-Ti +mp-684872,Ba2La3Ti2Cr3O15,-8.7787021562,-3.2748450239,0.0407871541,0.0407871541,GGA+U,Cmmm,A2B3C3D15E2_oC50_65_g_ch_ag_bf2g2q_h:Ba-Cr-La-O-Ti,50.0,"Invalid WP multiplicities - A2B3C3D15E2_oC50_65_g_2c2h_ag_bf2g2q_h:Ba-Cr-La-O-Ti, expected Ba2La3Ti2Cr6O15 to be Ba2La3Ti2Cr3O15" +mp-1346591,LaTiCrO6,-8.6482428922,-2.8521674634,0.1691774475,0.1691774475,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Cr-La-O-Ti,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_12a_a:Cr-La-O-Ti, expected LaTiCrO12 to be LaTiCrO6" +mp-1228142,Ba4LaTi4CrO15,-8.5366507687,-3.4147606459,0.0191169894,0.0191169894,GGA+U,Cmmm,A4BCD15E4_oC50_65_2g_c_a_bf2g2q_2h:Ba-Cr-La-O-Ti,100.0,A4BCD15E4_oC50_65_2g_c_a_bf2g2q_2h:Ba-Cr-La-O-Ti +mp-694922,BaLa5TiCr5O18,-8.9460407138,-3.2193694927,0.0272861686,0.0272861686,GGA+U,P1,AB5C5D18E_aP60_1_2a_10a_10a_36a_2a:Ba-Cr-La-O-Ti,60.0,AB5C5D18E_aP60_1_2a_10a_10a_36a_2a:Ba-Cr-La-O-Ti +mp-1177319,Li4Nb3Cr3(NiO8)2,-8.0284058993,-2.3996186944,0.0957205005,0.0957205005,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Cr-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Cr-Li-Nb-Ni-O, expected Li4Nb3Cr3(NiO10)2 to be Li4Nb3Cr3(NiO8)2" +mp-755986,Li2NbCr3O8,-8.4442493232,-2.5548348323,0.0148218011,0.0148218011,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Li-Nb-O,28.0,A3B2CD8_hR42_166_d_c_a_ch:Cr-Li-Nb-O +mp-758202,Li2NbCr3O8,-8.4589810157,-2.5695665248,9.01086e-05,9.01086e-05,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Cr-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Cr-Li-Nb-O, expected Li3NbCr3O30 to be Li2NbCr3O8" +mp-775164,Li2NbCr3O8,-8.4494701507,-2.5600556598,0.0096009736,0.0096009736,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Cr-Li-Nb-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Cr-Li-Nb-O, expected Li2NbCr3O70 to be Li2NbCr3O8" +mp-779200,Li4Nb2Cr3Ni3O16,-7.6756629604,-2.2012031969,0.0413507885,0.0413507885,GGA+U,P1,A3B4C2D3E16_aP28_1_3a_4a_2a_3a_16a:Cr-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Cr-Li-Nb-Ni-O, expected Li4Nb2Cr3Ni3O20 to be Li4Nb2Cr3Ni3O16" +mp-777759,Li4Nb2Cr3Ni3O16,-7.6674357139,-2.1929759505,0.0495780349,0.0495780349,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Cr-Li-Nb-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Cr-Li-Nb-Ni-O, expected Li4Nb2Cr3Ni3O20 to be Li4Nb2Cr3Ni3O16" +mp-756524,Li4NbCr5O12,-8.1349958114,-2.4367004299,0.0746294277,0.0746294277,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Cr-Li-Nb-O,44.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2g2h_j_c_2i2j:Cr-Li-Nb-O, expected Li4NbCr9O12 to be Li4NbCr5O12" +mp-755005,LiNbCrO4,-8.4893909611,-2.5679580723,0.0810588689,0.0810588689,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Li-Nb-O,28.0,ABCD4_oI28_74_a_e_c_hi:Cr-Li-Nb-O +mp-771962,LiNbCrO4,-8.5005316596,-2.5790987708,0.0699181704,0.0699181704,GGA+U,P4_322,ABCD4_tP28_95_a_b_c_2d:Cr-Li-Nb-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_b_c_3d:Cr-Li-Nb-O, expected LiNbCrO6 to be LiNbCrO4" +mp-1220594,NbCrNi,-8.6098073458,-0.0983109492,0.0502469054,0.0502469054,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Cr-Nb-Ni,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Cr-Nb-Ni, expected Nb3(CrNi)2 to be NbCrNi" +mp-756891,Li4Nb3Cr5O16,-8.4485116854,-2.5430879955,0.0662487918,0.0662487918,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Cr-Li-Nb-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Cr-Li-Nb-O, expected Li4Nb3Cr7O20 to be Li4Nb3Cr5O16" +mp-755780,Li3Nb2CrO6,-7.9440417137,-2.505495179,0.0889368729,0.0889368729,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Cr-Li-Nb-O,48.0,AB3C2D6_mC24_12_a_di_i_3i:Cr-Li-Nb-O +mp-771179,Li4Nb5Cr3O16,-8.5187231314,-2.5812810437,0.1044395378,0.1044395378,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Cr-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Cr-Li-Nb-O, expected Li4Nb5Cr3O20 to be Li4Nb5Cr3O16" +mp-559600,LiMo2AsO9,-7.5326887062,-1.9342625605,0.0151377098,0.0151377098,GGA+U,Pmmn,ABC2D9_oP26_59_b_a_e_aefg:As-Li-Mo-O,26.0,"Invalid WP multiplicities - ABC2D9_oP26_59_b_a_e_2a3e3f4g:As-Li-Mo-O, expected LiMo2AsO30 to be LiMo2AsO9" +mp-1201040,LiAlAs2,-3.9819132622,-0.2387293855,0.2469927419,0.2469927419,GGA,Ibca,AB2C_oI64_73_f_acde_f:Al-As-Li,32.0,AB2C_oI64_73_f_acde_f:Al-As-Li +mp-547017,LiAlAs2O7,-6.72605842,-2.2170078304,0.0204565914,0.0204565914,GGA,C2,AB2CD7_mC22_5_a_c_a_b3c:Al-As-Li-O,11.0,"Invalid WP multiplicities - AB2CD7_mC22_5_a_c_a_b6c:Al-As-Li-O, expected LiAlAs2O13 to be LiAlAs2O7" +mp-19209,LiAl(MoO4)2,-7.9287864004,-2.3521773499,0.0144723034,0.0144723034,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Al-Li-Mo-O,24.0,ABC2D8_aP24_2_i_i_2i_8i:Al-Li-Mo-O +mp-1235027,LiAlAsO4,-6.5398791343,-2.239825999,0.2870543615,0.2870543615,GGA,I-4,ABCD4_tI14_82_c_a_b_g:Al-As-Li-O,7.0,ABCD4_tI14_82_c_a_b_g:Al-As-Li-O +mp-1236207,LiAlAsO4,-6.5334623457,-2.2334092105,0.2934711501,0.2934711501,GGA,I-4,ABCD4_tI14_82_a_c_b_g:Al-As-Li-O,7.0,ABCD4_tI14_82_a_c_b_g:Al-As-Li-O +mp-555962,LiMoAsO6,-7.1707893844,-1.9381423123,0.0218686685,0.0218686685,GGA+U,P2_1,ABCD6_mP36_4_2a_2a_2a_12a:As-Li-Mo-O,36.0,"Invalid WP multiplicities - ABCD6_mP36_4_4a_4a_3a_22a:As-Li-Mo-O, expected Li4Mo3(As2O11)2 to be LiMoAsO6" +mp-560015,LiMoAsO6,-7.1599432142,-1.927296142,0.0327148387,0.0327148387,GGA+U,Pna2_1,ABCD6_oP36_33_a_a_a_6a:As-Li-Mo-O,36.0,"Invalid WP multiplicities - ABCD6_oP36_33_a_a_a_21a:As-Li-Mo-O, expected LiMoAsO21 to be LiMoAsO6" +mp-560164,Li3AlMo2(AsO7)2,-7.1687158273,-2.1807374901,0.0139780114,0.0139780114,GGA+U,P-1,AB2C3D2E14_aP22_2_b_i_ei_i_7i:Al-As-Li-Mo-O,22.0,"Invalid WP multiplicities - AB2C3D2E14_aP22_2_b_i_ei_i_14i:Al-As-Li-Mo-O, expected Li3AlMo2(AsO14)2 to be Li3AlMo2(AsO7)2" +mp-17103,Sr3Ta6(Si2O13)2,-9.2255634056,-3.4170935402,0.0051588603,0.0051588603,GGA,P-62m,A26B4C3D6_hP39_189_cfgil_h_g_i:O-Si-Sr-Ta,39.0,"Invalid WP multiplicities - A26B4C3D6_hP39_189_cfgi2l_h_g_i:O-Si-Sr-Ta, expected Sr3Ta6(Si2O19)2 to be Sr3Ta6(Si2O13)2" +mp-1173237,Sr3Ta7Si(BiO4)9,-8.1863368259,-2.7194897263,0.0381672608,0.0381672608,GGA,P1,A9B36CD3E7_aP56_1_9a_36a_a_3a_7a:Bi-O-Si-Sr-Ta,56.0,A9B36CD3E7_aP56_1_9a_36a_a_3a_7a:Bi-O-Si-Sr-Ta +mp-1202933,Sr3Ta7Si(BiO4)9,-8.1909869666,-2.7241398671,0.0335171201,0.0335171201,GGA,P1,A9B36CD3E7_aP56_1_9a_36a_a_3a_7a:Bi-O-Si-Sr-Ta,56.0,A9B36CD3E7_aP56_1_9a_36a_a_3a_7a:Bi-O-Si-Sr-Ta +mp-1228033,BaFeCuF7,-5.657782672,-2.8709271128,0.0150668482,0.0150668482,GGA+U,C2,ABC7D_mC40_5_ab_c_ab6c_c:Ba-Cu-F-Fe,20.0,ABC7D_mC40_5_ab_c_ab6c_c:Ba-Cu-F-Fe +mp-556590,BaFeCuF7,-5.6490148615,-2.8621593023000003,0.0238346587,0.0238346587,GGA+U,Cc,ABC7D_mC40_9_a_a_7a_a:Ba-Cu-F-Fe,20.0,"Invalid WP multiplicities - ABC7D_mC40_9_a_a_14a_a:Ba-Cu-F-Fe, expected BaFeCuF14 to be BaFeCuF7" +mp-1027986,Mg14FeCu,-2.0993794037,0.0864423825,0.1195818761,0.1195818761,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-Fe-Mg, expected Mg18FeCu to be Mg14FeCu" +mp-1027869,Mg14FeCu,-2.0973268912,0.088494895,0.1216343886,0.1216343886,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-Fe-Mg, expected Mg26FeCu to be Mg14FeCu" +mp-1022415,Mg6FeCu,-2.6101590112,0.1612045113,0.2129847861,0.2129847861,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-Fe-Mg, expected Mg12FeCu to be Mg6FeCu" +mp-1022464,Mg6FeCu,-2.61404267,0.1573208525,0.2091011274,0.2091011274,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-Fe-Mg, expected Mg12FeCu to be Mg6FeCu" +mp-1045836,Ba2MgFe2CuF14,-5.815919,-3.1540097718,0.0344552652,0.0344552652,GGA+U,C2/c,A2BC14D2E_mC80_15_f_a_7f_f_e:Ba-Cu-F-Fe-Mg,40.0,"Invalid WP multiplicities - A2BC14D2E_mC80_15_f_c_24f_f_e:Ba-Cu-F-Fe-Mg, expected Ba2MgFe2CuF48 to be Ba2MgFe2CuF14" +mp-1047894,BaMgFeF7,-6.0143894885,-3.4774265912,0.0135095217,0.0135095217,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Fe-Mg,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Fe-Mg, expected BaMgFeF23 to be BaMgFeF7" +mp-553974,Ba7Fe6CuF34,-6.0795830669,-3.3016154959,0.0015799915,0.0015799915,GGA+U,C2/m,A7BC34D6_mC96_12_aij_d_3i7j_ij:Ba-Cu-F-Fe,48.0,A7BC34D6_mC96_12_aij_d_3i7j_ij:Ba-Cu-F-Fe +mp-1361380,Ba2Fe2CuF14,-5.5211986021,-2.8034141539,0.0,-0.037822534,GGA+U,C2/c,A2BC14D2_mC76_15_f_a_7f_f:Ba-Cu-F-Fe,38.0,"Invalid WP multiplicities - A2BC14D2_mC76_15_f_c_24f_f:Ba-Cu-F-Fe, expected Ba2Fe2CuF48 to be Ba2Fe2CuF14" +mp-9746,Ba3NaIrO6,-6.5216424673,-2.3763682345,0.0,-0.0833073452,GGA,R-3c,A3BCD6_hR66_167_e_b_a_f:Ba-Ir-Na-O,22.0,A3BCD6_hR66_167_e_b_a_f:Ba-Ir-Na-O +mp-1228273,Ba3NaIrRuO9,-6.8559242023,-2.2084251867,0.0,-0.0025011277,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_b_a_3c_b:Ba-Ir-Na-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_b_a_5c_b:Ba-Ir-Na-O-Ru, expected Ba5NaIrRuO15 to be Ba3NaIrRuO9" +mp-1228077,Ba4Na(IrO4)3,-6.783634871,-2.0399352646,0.0821512437,0.0821512437,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Ir-Na-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_4d4e:Ba-Ir-Na-O, expected Ba4Na(IrO16)3 to be Ba4Na(IrO4)3" +mp-20529,Ba3NaIr2O9,-6.767178405,-2.1487439467,0.006078466,-0.0898993574,GGA,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Ba-Ir-Na-O,30.0,"Invalid WP multiplicities - A3B2CD9_mC60_15_2e3f_f_c_e4f:Ba-Ir-Na-O, expected Ba8NaIr2O9 to be Ba3NaIr2O9" +mp-21876,Ba3NaIr2O9,-6.773256871,-2.1548224127,0.0,-0.0959778234,GGA,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Na-O,30.0,"Invalid WP multiplicities - A3B2CD9_hP30_194_2b3f_f_a_hk:Ba-Ir-Na-O, expected Ba8NaIr2O9 to be Ba3NaIr2O9" +mp-1521429,BaNaEuSeO6,-6.8779544040000005,-2.2104998261,0.1383089942,0.1383089942,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-Na-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-Na-O-Se +mp-1013760,Sn5(S2Cl)2,-4.4591832409,-0.7963894170000001,0.087269973,0.087269973,GGA,P-1,A2B4C5_aP22_2_2i_4i_5i:Cl-S-Sn,22.0,"Invalid WP multiplicities - A2B4C5_mC44_15_f_8f_e2f:Cl-S-Sn, expected Sn5(S8Cl)2 to be Sn5(S2Cl)2" +mp-1014204,Sn5(S2Cl)2,-4.5077048877,-0.8449110639,0.0387483261,0.0387483261,GGA,Pma2,A2B4C5_oP22_28_2c_2d_c2d:Cl-S-Sn,22.0,A2B4C5_oP22_28_2c_2d_c2d:Cl-S-Sn +mp-1194731,CsBa2SnS4Cl,-4.8530701094,-1.8378189723,0.0,-0.0110407556,GGA,P2_1/c,A2BCD4E_mP36_14_2e_e_e_4e_e:Ba-Cl-Cs-S-Sn,36.0,A2BCD4E_mP36_14_2e_e_e_4e_e:Ba-Cl-Cs-S-Sn +mp-1518455,NaSrZrSbO6,-7.371720397,-2.8348351086,0.0273869578,0.0273869578,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sb-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sb-Sr-Zr +mp-557735,BaCuTe2O7,-6.0803139436,-1.8138035459,0.0,-0.0065880001,GGA,Ama2,ABC7D2_oC44_40_b_b_a2b2c_2b:Ba-Cu-O-Te,22.0,"Invalid WP multiplicities - ABC7D2_oC44_40_b_b_2a4b5c_3b:Ba-Cu-O-Te, expected BaCuTe3O16 to be BaCuTe2O7" +mp-551456,Ba2CuClO2,-5.7300448417,-2.4501997363,0.0,-0.0772198575,GGA,R-3m,A2BCD2_hR18_166_c_a_b_c:Ba-Cl-Cu-O,6.0,A2BCD2_hR18_166_c_a_b_c:Ba-Cl-Cu-O +mp-1147751,Ba2CuTeO2,-5.4724974733,-1.9768574957,0.0760072278,0.0760072278,GGA,P4/mmm,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-Te,6.0,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-Te +mp-581276,Cu2Te2Cl2O5,-5.1301980827,-1.2287851734,0.008541802,0.008541802,GGA,P-4,A2B2C5D2_tP22_81_h_h_g2h_h:Cl-Cu-O-Te,22.0,"Invalid WP multiplicities - A2B2C5D2_tP22_81_h_h_2g5h_h:Cl-Cu-O-Te, expected CuTeClO6 to be Cu2Te2Cl2O5" +mp-560502,Ba2CuTeO6,-6.2543942205,-2.1783347494,0.0,-0.0119692718,GGA,C2/m,A2BC6D_mC40_12_2i_i_2i2j_ad:Ba-Cu-O-Te,20.0,"Invalid WP multiplicities - A2BC6D_mC40_12_2i_i_3i8j_ac:Ba-Cu-O-Te, expected Ba2CuTeO19 to be Ba2CuTeO6" +mp-10335,Ba2CuTeO6,-6.235991402,-2.1599319309,0.0184028185,0.0064335467,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-Te,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-Te +mp-559757,Ba3Cu2(ClO2)2,-5.6517898982,-2.2482293232,0.0240445724,0.0240445724,GGA,Pmma,A3B2C2D4_oP22_51_e2f_ef_ae_l:Ba-Cl-Cu-O,22.0,"Invalid WP multiplicities - A3B2C2D4_oP22_51_e3f_2ef_2a2e_l:Ba-Cl-Cu-O, expected Ba4Cu4Cl3O4 to be Ba3Cu2(ClO2)2" +mp-558364,Cu4Te5(ClO3)4,-5.2081618688,-1.2534511759,0.0148626639,0.0148626639,GGA,P4/n,A4B4C12D5_tP50_85_g_g_3g_cg:Cl-Cu-O-Te,50.0,"Invalid WP multiplicities - A4B4C12D5_tP50_85_g_g_15g_c2g:Cl-Cu-O-Te, expected Cu4Te9(ClO15)4 to be Cu4Te5(ClO3)4" +mp-561174,Ba2Cu4Te4Cl4O11,-5.441798024,-1.6571691201,0.0014130634,0.0014130634,GGA,P-1,A2B4C4D11E4_aP50_2_2i_4i_4i_11i_4i:Ba-Cl-Cu-O-Te,50.0,"Invalid WP multiplicities - A2B4C4D11E4_aP50_2_4i_6i_5i_21i_5i:Ba-Cl-Cu-O-Te, expected Ba4Cu5Te5(Cl2O7)3 to be Ba2Cu4Te4Cl4O11" +mp-1356028,Ba2Cu4Te4Cl4O11,-1.950566297,1.8340626069,3.4926447904,3.4926447904,GGA,P-1,A2B4C4D11E4_aP50_2_2i_4i_4i_11i_4i:Ba-Cl-Cu-O-Te,50.0,"Invalid WP multiplicities - A2B4C4D11E4_aP50_2_4i_6i_5i_21i_5i:Ba-Cl-Cu-O-Te, expected Ba4Cu5Te5(Cl2O7)3 to be Ba2Cu4Te4Cl4O11" +mp-554401,BaCu2Te2(ClO3)2,-5.4858474654,-1.6565239535,0.0089949056,0.0089949056,GGA,P2_1,AB2C2D6E2_mP26_4_a_2a_2a_6a_2a:Ba-Cl-Cu-O-Te,26.0,"Invalid WP multiplicities - AB2C2D6E2_mP26_4_a_3a_3a_10a_3a:Ba-Cl-Cu-O-Te, expected BaCu3Te3Cl3O10 to be BaCu2Te2(ClO3)2" +mp-23085,Ba2Cu3(ClO2)2,-5.4942377773,-1.8924743177,0.0,-0.0077932321,GGA,I4/mmm,A2B2C3D4_tI22_139_e_d_ac_h:Ba-Cl-Cu-O,11.0,A2B2C3D4_tI22_139_e_d_ac_h:Ba-Cl-Cu-O +mp-559813,Ba9Cu7Cl2O15,-5.6778504976,-1.9244376146,0.2199947476,0.2199947476,GGA,P6/mmm,A9B2C7D15_hP33_191_fm_c_bl_gn:Ba-Cl-Cu-O,33.0,"Invalid WP multiplicities - A9B2C7D15_hP33_191_2f2m_c_b2l_3g3n:Ba-Cl-Cu-O, expected Ba18Cu13Cl2O45 to be Ba9Cu7Cl2O15" +mp-1037798,CaMg30BiO32,-6.2285822286,-2.9137614587,0.0968627902,0.0968627902,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Ca-Mg-O, expected CaMg110BiO72 to be CaMg30BiO32" +mp-1516567,CaEuMgBiO6,-7.111559643,-2.3732093302,0.1713389197,0.1713389197,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-Eu-Mg-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-Eu-Mg-O +mp-1006146,Eu(MgBi)2,-4.802968898,-0.575260866,0.0,-0.1115594218,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Bi-Eu-Mg,5.0,A2BC2_hP5_164_d_a_d:Bi-Eu-Mg +mp-1031768,CaMg6BiO8,-6.0101326181,-2.5713026806,0.3090734172,0.3090734172,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Ca-Mg-O, expected CaMg6BiO12 to be CaMg6BiO8" +mp-1031781,CaMg6BiO8,-5.9590312919,-2.5202013544,0.3601747435,0.3601747435,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Ca-Mg-O, expected CaMg6BiO12 to be CaMg6BiO8" +mp-1023152,CaMg6Bi,-2.0130547456,-0.0820835819,0.1529644689,0.1529644689,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Ca-Mg, expected CaMg12Bi to be CaMg6Bi" +mp-1023153,CaMg6Bi,-2.0252658731,-0.0942947094,0.1407533414,0.1407533414,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Ca-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Ca-Mg, expected CaMg12Bi to be CaMg6Bi" +mp-29208,Ca(MgBi)2,-3.12595578,-0.5485281320000001,0.0,-0.1117216178,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Bi-Ca-Mg,5.0,A2BC2_hP5_164_d_a_d:Bi-Ca-Mg +mp-1036254,CaMg14BiO16,-6.1240895009,-2.7679323419,0.1992758567,0.1992758567,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Ca-Mg-O, expected CaMg18BiO20 to be CaMg14BiO16" +mp-1036258,CaMg14BiO16,-6.1340207869,-2.7778636278,0.1893445708,0.1893445708,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Ca-Mg-O, expected CaMg30BiO32 to be CaMg14BiO16" +mp-1519061,BaCaZrNbO6,-8.54004998,-3.3146787043,0.1136387274,0.1136387274,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Zr +mp-1228321,Ba3ZrNb5O12,-8.9655424343,-3.0526179017,0.0058704219,0.0058704219,GGA,P4/nmm,A3B5C12D_tP42_129_bf_3cd_a3c2j_c:Ba-Nb-O-Zr,42.0,"Invalid WP multiplicities - A3B5C12D_tP42_129_bf_4cd_a4c2j_c:Ba-Nb-O-Zr, expected Ba3ZrNb6O13 to be Ba3ZrNb5O12" +mp-1228044,Ba4ZrNb9O18,-9.074070255,-2.9435783002,0.0016524824,0.0016524824,GGA,I4/mmm,A4B9C18D_tI64_139_g_a2ef_d2ehm_b:Ba-Nb-O-Zr,32.0,"Invalid WP multiplicities - A4B9C18D_tI64_139_g_a4ef_d4ehm_b:Ba-Nb-O-Zr, expected Ba4ZrNb13O22 to be Ba4ZrNb9O18" +mp-1228755,Ba8ZrNb19O36,-9.0658218489,-2.9110548252,0.0,-6.885080000000001e-05,GGA,P4/mmm,A8B19C36D_tP64_123_4h_a5g2i_ef4g2h5i_b:Ba-Nb-O-Zr,64.0,"Invalid WP multiplicities - A8B19C36D_tP64_123_7h_a9g5i_2e2f7g3h19i_b:Ba-Nb-O-Zr, expected Ba14ZrNb39O104 to be Ba8ZrNb19O36" +mp-1228352,Ba3ZrNb4O15,-8.8929191767,-3.2881289038,0.0206536075,0.0206536075,GGA,P4bm,A3B4C15D_tP46_100_ac_d_bc3d_b:Ba-Nb-O-Zr,46.0,A3B4C15D_tP46_100_ac_d_bc3d_b:Ba-Nb-O-Zr +mp-2232107,Tb2MgMo2(ClO4)2,-7.6942329573,-2.6388399253,0.1298528798,0.1298528798,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Tb,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Tb, expected Tb2MgMo2(ClO7)2 to be Tb2MgMo2(ClO4)2" +mp-2232185,Tb2MgMo2(ClO4)2,-7.717683834,-2.662290802,0.1064020032,0.1064020032,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Tb,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Tb, expected Tb2MgMo2(ClO7)2 to be Tb2MgMo2(ClO4)2" +mp-2229989,Tb5Mg(MoO6)2,-8.51250657,-3.2213228047,0.1051767754,0.1051767754,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Tb,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Tb +mp-2230696,Tb5Mg(MoO6)2,-8.483971435499999,-3.1927876702,0.1337119099,0.1337119099,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Tb,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Tb +mp-2230949,Tb5Mg(MoO6)2,-8.5823251805,-3.2911414153,0.0353581649,0.0353581649,GGA+U,C2/m,AB2C12D5_mC40_12_a_h_2i2j_b2i:Mg-Mo-O-Tb,20.0,AB2C12D5_mC40_12_a_h_2i2j_b2i:Mg-Mo-O-Tb +mp-558223,TbMoClO4,-7.9924154157,-2.6902285993,0.0,-0.0195115368,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Tb,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_4i2j_i:Cl-Mo-O-Tb, expected TbMoClO8 to be TbMoClO4" +mp-1219722,PrNiSb,-5.7694494067,-0.8727681817,0.0151576617,-0.0153382064,GGA,P-6m2,ABC_hP3_187_a_d_e:Ni-Pr-Sb,3.0,ABC_hP3_187_a_d_e:Ni-Pr-Sb +mp-1024955,PrNiSb,-5.7846070683,-0.8879258433,0.0,-0.0304958681,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ni-Pr-Sb,6.0,ABC_hP6_194_c_a_d:Ni-Pr-Sb +mp-1080568,PrNiSb2,-5.5312211688,-0.82645994,0.0,-0.0024943063,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Ni-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Ni-Pr-Sb +mp-570394,PrNiSb3,-5.3261003043,-0.7364910733000001,0.0,-0.0279528398,GGA,Pbcm,ABC3_oP60_57_ce_de_c2d3e:Ni-Pr-Sb,60.0,"Invalid WP multiplicities - ABC3_oP60_57_2c2e_2d3e_4c5d20e:Ni-Pr-Sb, expected Pr8Ni6Sb49 to be PrNiSb3" +mp-1078736,Pr(NiSb)2,-5.645405311,-0.725568992,0.0,-0.046134612,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ni-Pr-Sb,10.0,A2BC2_tP10_129_ac_c_bc:Ni-Pr-Sb +mp-568703,Pr(NiSb)2,-5.595173706,-0.675337387,0.050231605,0.004096993,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Pr-Sb,5.0,A2BC2_tI10_139_d_a_e:Ni-Pr-Sb +mp-1210359,Pr5NiSb2,-5.4978723912,-0.7550388994,0.0104451351,0.0104451351,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ni-Pr-Sb,32.0,AB5C2_oP32_62_c_3cd_d:Ni-Pr-Sb +mp-1522379,NaCaSnSbO6,-6.322971946,-2.2082888924,0.162652434,0.162652434,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sb-Sn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sb-Sn +mp-30252,Na10CaSn12,-3.0174039643,-0.2632424394,0.0,-0.0061934236,GGA,I-43m,AB10C12_cI46_217_a_cd_g:Ca-Na-Sn,23.0,"Invalid WP multiplicities - AB10C12_cI46_217_a_c2d_g:Ca-Na-Sn, expected Na16CaSn12 to be Na10CaSn12" +mp-1344994,Ca2SnSbO6,-6.725329601,-2.5423390887,0.075901853,0.075901853,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Sb-Sn,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Ca-O-Sb-Sn, expected Ca2SnSbO16 to be Ca2SnSbO6" +mp-568234,Na4CaSn6,-3.1479189455,-0.2976342015,0.0022667458,0.0022667458,GGA,P6_3/mmc,AB4C6_hP22_194_b_ch_k:Ca-Na-Sn,22.0,"Invalid WP multiplicities - AB4C6_hP22_194_b_2c3h_k:Ca-Na-Sn, expected Na11CaSn6 to be Na4CaSn6" +mp-542934,CeMg2Cu9,-3.9656276104,-0.13008517,0.0010098932,0.0010098932,GGA,P6_3/mmc,AB9C2_hP24_194_c_abdk_f:Ce-Cu-Mg,24.0,AB9C2_hP24_194_c_abdk_f:Ce-Cu-Mg +mp-510569,CsCeCuS3,-5.5503841508,-1.6608761846,0.0,-0.1539481831,GGA,Cmcm,ABCD3_oC24_63_a_c_c_cf:Ce-Cs-Cu-S,12.0,"Invalid WP multiplicities - ABCD3_oC24_63_a_c_c_2c2f:Ce-Cs-Cu-S, expected CsCeCuS6 to be CsCeCuS3" +mp-1205969,CeMgCu,-3.9512998922,-0.0737746006,0.0293306299,0.0293306299,GGA,P-62m,ABC_hP9_189_f_ad_g:Ce-Cu-Mg,9.0,ABC_hP9_189_f_ad_g:Ce-Cu-Mg +mp-22237,CeMgCu2,-4.0542353062,-0.12128967,0.0216352609,0.0216352609,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ce-Cu-Mg,8.0,AB2C_hP8_194_c_f_a:Ce-Cu-Mg +mp-2218552,Cs2Ce2Mg(CuS3)2,-5.1948354423,-1.4814219311,0.1614950542,0.1614950542,GGA,Amm2,A2B2C2DE6_oC26_38_c_ab_ab_a_ab2c:Ce-Cs-Cu-Mg-S,13.0,"Invalid WP multiplicities - A2B2C2DE6_oC26_38_c_ab_ab_a_ab4c:Ce-Cs-Cu-Mg-S, expected Cs2Ce2Mg(CuS5)2 to be Cs2Ce2Mg(CuS3)2" +mp-1099304,CeMg6Cu,-2.36393554,0.0903114756,0.1490068487,0.1490068487,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-Cu-Mg,8.0,ABC6_oC16_38_a_b_abde:Ce-Cu-Mg +mp-1099323,CeMg6Cu,-2.3847633775,0.0694836381,0.1281790112,0.1281790112,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ce-Cu-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ce-Cu-Mg +mp-22810,Ce2MgCu2,-4.432602296,-0.099627956,0.0147119887,0.0147119887,GGA,P4/mbm,A2B2C_tP10_127_h_g_a:Ce-Cu-Mg,10.0,A2B2C_tP10_127_h_g_a:Ce-Cu-Mg +mp-1022142,CsMg6Cu,-1.5833410963,0.2411950715,0.2857259903,0.2857259903,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cs-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cs-Cu-Mg, expected CsMg12Cu to be CsMg6Cu" +mp-1022452,CsMg6Cu,-1.6108374625000002,0.2136987053,0.258229624,0.258229624,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cs-Cu-Mg, expected CsMg12Cu to be CsMg6Cu" +mp-1099285,CsMg6Cu,-1.483724645,0.3408115228,0.3853424415,0.3853424415,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cs-Cu-Mg,8.0,ABC6_oC16_38_a_b_abde:Cs-Cu-Mg +mp-30504,CeMg2Cu,-3.1716627125,0.1365512687,0.2256131062,0.2256131062,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ce-Cu-Mg,4.0,ABC2_cF16_225_a_b_c:Ce-Cu-Mg +mp-1099091,CeMg14Cu,-1.9571326869,0.0701308459,0.0994785325,0.0994785325,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-Cu-Mg, expected CeMg26Cu to be CeMg14Cu" +mp-1026881,CsMg14Cu,-1.5175708744,0.1948372345,0.2171026939,0.2171026939,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cs-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cs-Cu-Mg, expected CsMg18Cu to be CsMg14Cu" +mp-1026866,CsMg14Cu,-1.5085073856,0.2039007233,0.2261661826,0.2261661826,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cs-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cs-Cu-Mg, expected CsMg26Cu to be CsMg14Cu" +mp-766401,Na5Fe6(SiO3)12,-7.7936738981,-2.698464344,0.0215877412,0.0215877412,GGA+U,C2,A6B5C36D12_mC118_5_ab2c_a2c_18c_6c:Fe-Na-O-Si,59.0,"Invalid WP multiplicities - A6B5C36D12_mC118_5_ab4c_a3c_36c_12c:Fe-Na-O-Si, expected Na7Fe10(SiO3)24 to be Na5Fe6(SiO3)12" +mp-1304778,NaFe2(SiO3)4,-7.8506461868,-2.6230617464,0.0716160479,0.0716160479,GGA+U,P2,A2BC12D4_mP38_3_abcd_ad_12e_4e:Fe-Na-O-Si,38.0,A2BC12D4_mC38_5_ab_a_6c_2c:Fe-Na-O-Si +mp-755636,NaFe2(SiO3)4,-7.8558824289,-2.6282979885,0.0663798058,0.0663798058,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Fe-Na-O-Si,19.0,"Invalid WP multiplicities - A2BC12D4_mC38_5_ab_a_12c_4c:Fe-Na-O-Si, expected NaFe2(SiO3)8 to be NaFe2(SiO3)4" +mp-555604,Na3Dy(Si2O5)3,-7.7796350867,-3.1665710239,0.0,-0.0067942046,GGA,Cmce,AB3C15D6_oC200_64_e_def_3f6g_3g:Dy-Na-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_oC200_64_e_4d3e3f_12f39g_16g:Dy-Na-O-Si, expected Na10Dy(Si16O45)2 to be Na3Dy(Si2O5)3" +mp-559532,NaFe3Si3O10,-7.9895583754,-2.5498271916,0.005210394,0.005210394,GGA+U,P-1,A3BC10D3_aP68_2_be5i_2i_20i_6i:Fe-Na-O-Si,68.0,"Invalid WP multiplicities - A3BC10D3_aP68_2_be9i_4i_39i_11i:Fe-Na-O-Si, expected Na4Fe10Si11O39 to be NaFe3Si3O10" +mp-780575,Na2Fe(Si2O5)3,-7.7496368158,-2.8384988723,0.0699868067,0.0699868067,GGA+U,Cmce,AB2C15D6_oC192_64_e_ef_3f6g_3g:Fe-Na-O-Si,96.0,"Invalid WP multiplicities - AB2C15D6_oC192_64_e_2ef_10f18g_5g:Fe-Na-O-Si, expected Na3Fe(Si5O23)2 to be Na2Fe(Si2O5)3" +mp-775293,Na9Fe10(SiO3)20,-7.7814702832,-2.7116660103,0.0132558883,0.0132558883,GGA+U,P1,A10B9C60D20_aP99_1_10a_9a_60a_20a:Fe-Na-O-Si,99.0,A10B9C60D20_aP99_1_10a_9a_60a_20a:Fe-Na-O-Si +mp-818474,NaFe2(Si2O5)3,-7.9104055349,-2.7014552615,0.2024064377,0.2024064377,GGA+U,Cmce,A2BC15D6_oC192_64_de_e_3f6g_3g:Fe-Na-O-Si,96.0,A2BC15D6_oC192_64_de_e_3f6g_3g:Fe-Na-O-Si +mp-21867,NaFe(SiO3)2,-7.7644363565,-2.7321048734,0.0,-0.0176996884,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Fe-Na-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Fe-Na-O-Si +mp-1176384,Na3Fe5(SiO3)10,-7.8365420134,-2.6496352724000003,0.05283983,0.05283983,GGA+U,P1,A5B3C30D10_aP96_1_10a_6a_60a_20a:Fe-Na-O-Si,96.0,A5B3C30D10_aP96_1_10a_6a_60a_20a:Fe-Na-O-Si +mp-560149,SrFe2(SeO3)4,-6.5017171263,-1.6610094253,0.0,-0.0071999146,GGA+U,P2/m,A2B12C4D_mP19_10_ce_mn2o_mn_a:Fe-O-Se-Sr,38.0,A2B12C4D_mP19_10_ae_mn2o_mn_c:Fe-O-Se-Sr +mp-556960,Sr3Fe2(SeO3)6,-6.4651378895,-1.9125727706,0.0,-0.0253570205,GGA+U,R-3c,A2B18C6D3_hR174_167_ab_3f_f_e:Fe-O-Se-Sr,58.0,"Invalid WP multiplicities - A2B18C6D3_hR174_167_ab_26f_f_e:Fe-O-Se-Sr, expected Sr3Fe2(SeO26)6 to be Sr3Fe2(SeO3)6" +mp-1218625,Sr6Fe5Ag3(Se2O5)2,-6.3092649189,-1.8651482117,0.064711536,0.064711536,GGA+U,C222,A3B5C10D4E6_oC56_21_abc_dl_2e2fk_l_kl:Ag-Fe-O-Se-Sr,28.0,"Invalid WP multiplicities - A3B5C10D4E6_oC56_21_abc_dl_4e4fk_l_kl:Ag-Fe-O-Se-Sr, expected Sr6Fe5Ag3(Se2O9)2 to be Sr6Fe5Ag3(Se2O5)2" +mp-704626,FeAg(SeO3)2,-6.0470493682,-1.2495961246,0.0,-0.0394951775,GGA+U,Pna2_1,ABC6D2_oP40_33_a_a_6a_2a:Ag-Fe-O-Se,40.0,"Invalid WP multiplicities - ABC6D2_oP40_33_a_a_23a_7a:Ag-Fe-O-Se, expected FeAgSe7O23 to be FeAg(SeO3)2" +mp-1095252,SrFe2Se2O,-6.496863485,-1.402188895,0.02727554,0.02727554,GGA+U,Pmmn,A2BC2D_oP12_59_e_a_e_b:Fe-O-Se-Sr,12.0,A2BC2D_oP12_59_e_a_e_b:Fe-O-Se-Sr +mp-1096959,FeAgSe2,-4.8771916163,-0.3035915741,0.1986961458,0.1986961458,GGA,I-42d,ABC2_tI16_122_a_b_d:Ag-Fe-Se,8.0,ABC2_tI16_122_a_b_d:Ag-Fe-Se +mp-1219128,Sr2Ca2NdMn5O15,-7.8688307176,-2.5820810685,0.0298218493,0.0298218493,GGA+U,P1,A2B5CD15E2_aP50_1_4a_10a_2a_30a_4a:Ca-Mn-Nd-O-Sr,50.0,A2B5CD15E2_aP50_1_4a_10a_2a_30a_4a:Ca-Mn-Nd-O-Sr +mp-1218723,Sr3CaNdMn5O15,-7.8539562492,-2.5798508571000003,0.0248575784,0.0248575784,GGA+U,P1,AB5CD15E3_aP50_1_2a_10a_2a_30a_6a:Ca-Mn-Nd-O-Sr,50.0,AB5CD15E3_aP50_1_2a_10a_2a_30a_6a:Ca-Mn-Nd-O-Sr +mp-1218772,Sr3CaNdMn5O15,-7.8546279734,-2.5805225813,0.0241858542,0.0241858542,GGA+U,P1,AB5CD15E3_aP50_1_2a_10a_2a_30a_6a:Ca-Mn-Nd-O-Sr,50.0,AB5CD15E3_aP50_1_2a_10a_2a_30a_6a:Ca-Mn-Nd-O-Sr +mp-1518192,SrCaNdMnO6,-7.4840322565,-2.753493424,0.1145251634,0.1145251634,GGA+U,P-4n2,ABCD6E_tP20_118_a_b_c_ei_d:Ca-Mn-Nd-O-Sr,20.0,ABCD6E_tP20_118_a_b_c_ei_d:Ca-Mn-Nd-O-Sr +mp-1518220,SrCaNdMnO6,-7.405203287,-2.6746644545,0.1933541329,0.1933541329,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ca-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ca-Mn-Nd-O-Sr +mp-1205966,Sr2Zn3(AsO)2,-4.3839822356,-1.4540009056,0.0002415339,0.0002415339,GGA,I4/mmm,A2B2C2D3_tI18_139_e_c_e_ad:As-O-Sr-Zn,9.0,A2B2C2D3_tI18_139_e_c_e_ad:As-O-Sr-Zn +mp-15740,SrZn2(AsO4)2,-6.216437436,-2.1317661149,0.0,-0.0339743863,GGA,P2_1/c,A2B8CD2_mP52_14_2e_8e_e_2e:As-O-Sr-Zn,52.0,A2B8CD2_mP52_14_2e_8e_e_2e:As-O-Sr-Zn +mp-698622,Sr10Mn5Zn9(AsO)10,-5.1652694239,-1.2993427274,0.2345170003,0.2345170003,GGA+U,P1,A10B5C10D10E9_aP44_1_10a_5a_10a_10a_9a:As-Mn-O-Sr-Zn,44.0,A10B5C10D10E9_aP44_1_10a_5a_10a_10a_9a:As-Mn-O-Sr-Zn +mp-673816,Sr10Mn5Zn9(AsO)10,-5.1047371398,-1.2388104433,0.2950492844,0.2950492844,GGA+U,P1,A10B5C10D10E9_aP44_1_10a_5a_10a_10a_9a:As-Mn-O-Sr-Zn,44.0,A10B5C10D10E9_aP44_1_10a_5a_10a_10a_9a:As-Mn-O-Sr-Zn +mp-1210774,Mn3Zn2(AsO6)2,-6.7952642695000005,-1.6013677199,0.2334502266,0.2334502266,GGA+U,C2/m,A2B3C12D2_mC38_12_i_ai_6i_i:As-Mn-O-Zn,19.0,A2B3C12D2_mC38_12_i_ai_6i_i:As-Mn-O-Zn +mp-8322,Mn2ZnAs2,-5.6958681680000005,0.0845340328,0.3027908197,0.3027908197,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Mn-Zn,5.0,A2B2C_hP5_164_d_d_a:As-Mn-Zn +mp-1358311,MnZnAsO5,-6.8008917325,-1.8241016246,0.0159925364,0.0159925364,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Mn-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Mn-O-Zn +mp-1222639,Mn3Zn2AsO12,-6.3618607867,-1.1382543402,0.5095421496,0.5095421496,GGA+U,Cm,AB3C12D2_mC36_8_a_3a_12a_2a:As-Mn-O-Zn,18.0,AB3C12D2_mC36_8_a_3a_12a_2a:As-Mn-O-Zn +mp-1239057,Mn3Zn2AsO12,-6.1187591211,-0.8951526747,0.7526438151,0.7526438151,GGA+U,Cm,AB3C12D2_mC36_8_a_3a_12a_2a:As-Mn-O-Zn,18.0,AB3C12D2_mC36_8_a_3a_12a_2a:As-Mn-O-Zn +mp-862748,Sr2MnZn2(AsO)2,-5.31481833,-1.5068068132,0.0,-0.0113913756,GGA+U,I4/mmm,A2BC2D2E2_tI18_139_e_a_c_e_d:As-Mn-O-Sr-Zn,9.0,A2BC2D2E2_tI18_139_e_a_c_e_d:As-Mn-O-Sr-Zn +mp-1041525,Mn3Zn3(AsO4)4,-6.7845622777,-1.8211480582,0.0376965982,0.0376965982,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Mn-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Mn-O-Zn, expected Mn3Zn3(As5O29)2 to be Mn3Zn3(AsO4)4" +mp-1042806,MnZnAs2O7,-6.7473804407,-1.8049425597,0.0292498824,0.0292498824,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Mn-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Mn-O-Zn +mp-676382,Yb2Zr2O7,-8.25048297,-3.2685339883,0.1322107647,0.1322107647,GGA,Pmma,A7B2C2_oP22_51_3e2j_af_cf:O-Yb-Zr,,"Invalid WP multiplicities - A7B2C2_oP22_51_6e4j_a2f_2c2f:O-Yb-Zr, expected Yb3Zr4O14 to be Yb2Zr2O7" +mp-676389,Yb2Zr8O19,-9.2630647859,-3.5579645406,0.09957268,0.09957268,GGA,P-4m2,A19B2C8_tP29_115_abc4e4f_g_4g:O-Yb-Zr,,"Invalid WP multiplicities - A19B2C8_tP29_115_abc8e8f_g_7g:O-Yb-Zr, expected Yb2Zr14O35 to be Yb2Zr8O19" +mp-676491,Ca3Yb2Zr3Ti8O28,-8.5868190964,-3.2138568659,0.3518646803,0.3518646803,GGA,P1,A3B28C8D2E3_aP44_1_3a_28a_8a_2a_3a:Ca-O-Ti-Yb-Zr,,A3B28C8D2E3_aP44_1_3a_28a_8a_2a_3a:Ca-O-Ti-Yb-Zr +mp-1233481,CaYb4Ti2O10,-7.5734055076,-3.2544699697,0.1858516106,0.1858516106,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Ca-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Ca-O-Ti-Yb +mp-1234540,CaYb4Ti2O10,-7.5981486435,-3.2792131055,0.1611084747,0.1611084747,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Ca-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Ca-O-Ti-Yb +mp-532178,Yb4Zr3O12,-8.0956019925,-3.2976125428,0.0378078105,0.0378078105,GGA,P1,A12B4C3_aP76_1_48a_16a_12a:O-Yb-Zr,,A12B4C3_aP76_1_48a_16a_12a:O-Yb-Zr +mp-675744,Yb4Zr3O12,-8.0934228524,-3.2954334026,0.0399869507,0.0399869507,GGA,P-1,A12B4C3_aP38_2_12i_4i_3i:O-Yb-Zr,,"Invalid WP multiplicities - A12B4C3_aP38_2_24i_8i_5i:O-Yb-Zr, expected Yb8Zr5O24 to be Yb4Zr3O12" +mp-1215736,Yb4Zr3O12,-8.0924550047,-3.294465555,0.0409547983,0.0409547983,GGA,P-1,A12B4C3_aP19_2_6i_2i_ai:O-Yb-Zr,,"Invalid WP multiplicities - A12B4C3_aP19_2_12i_4i_ai:O-Yb-Zr, expected Yb8Zr3O24 to be Yb4Zr3O12" +mp-1518635,SmTi4SnO12,-8.6122585806,-3.0750146588,0.1766239988,0.1766239988,GGA,Amm2,A12BCD4_oC36_38_2cdef_a_b_f:O-Sm-Sn-Ti,18.0,"Invalid WP multiplicities - A12BCD4_oC36_38_3c2d2ef_a_b_f:O-Sm-Sn-Ti, expected SmTi4SnO18 to be SmTi4SnO12" +mp-774825,Li4Nb3Co3(TeO8)2,-7.3439489587,-2.1761564181,0.0836593302,0.0836593302,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Nb-O-Te,56.0,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Nb-O-Te +mp-571471,NbCoTe2,-6.4630688044,-0.589010149,0.0,-0.0321807156,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Co-Nb-Te,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_5e:Co-Nb-Te, expected NbCoTe5 to be NbCoTe2" +mp-5603,NbCoTe2,-6.462827575,-0.5887689196,0.0002412294,-0.0319394863,GGA,Cmce,ABC2_oC32_64_f_d_ef:Co-Nb-Te,16.0,ABC2_oC32_64_f_d_ef:Co-Nb-Te +mp-1520137,NaCaTiBiO6,-6.8792262310000005,-2.4048023722,0.1710090027,0.1710090027,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-Na-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-Na-O-Ti +mp-1043855,CaTiBiO5,-7.5278032925,-2.7184252196000003,0.0585291322,0.0585291322,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-Ti,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-Ti, expected CaTiBiO15 to be CaTiBiO5" +mp-1042367,CaTiBiO5,-7.4893259256,-2.6799478528,0.0970064991,0.0970064991,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-Ti,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-Ti, expected CaTiBiO31 to be CaTiBiO5" +mp-1227907,Ca2Ti5(Bi2O9)2,-7.9640267007,-2.8643365915,0.0458159728,0.0458159728,GGA,Aea2,A4B2C18D5_oC116_41_2b_b_9b_a2b:Bi-Ca-O-Ti,58.0,A4B2C18D5_oC116_41_2b_b_9b_a2b:Bi-Ca-O-Ti +mp-1235361,LiDy2Mn4O8,-8.266291406,-2.443353579,0.2615383183,0.2615383183,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Dy-Li-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Dy-Li-Mn-O +mp-1235635,LiDy2Mn4O8,-8.338644248,-2.515706421,0.1891854763,0.1891854763,GGA+U,Cm,A2BC4D8_mC30_8_2a_a_2ab_4a2b:Dy-Li-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Dy-Li-Mn-O +mp-768185,Ba4Li4Ti19O44,-8.7869354454,-3.3928475181,0.0472498192,0.0472498192,GGA,P1,A4B4C44D19_aP71_1_4a_4a_44a_19a:Ba-Li-O-Ti,71.0,A4B4C44D19_aP71_1_4a_4a_44a_19a:Ba-Li-O-Ti +mp-762032,Ba4Li4Ti19O44,-8.7888632963,-3.394775369,0.0453219682,0.0453219682,GGA,P1,A4B4C44D19_aP71_1_4a_4a_44a_19a:Ba-Li-O-Ti,71.0,A4B4C44D19_aP71_1_4a_4a_44a_19a:Ba-Li-O-Ti +mp-773058,Ba6Ti7(Sb3O14)3,-7.6311309186,-2.7607523125,0.043389673,0.043389673,GGA,Cm,A6B42C9D7_mC128_8_2a2b_6a18b_a4b_3a2b:Ba-O-Sb-Ti,64.0,"Invalid WP multiplicities - A6B42C9D7_mC128_8_2a3b_6a36b_a7b_3a3b:Ba-O-Sb-Ti, expected Ba8Ti9(Sb5O26)3 to be Ba6Ti7(Sb3O14)3" +mp-7971,Ba4Li(SbO4)3,-6.624656933,-2.5580523889,0.0,-0.0205595035,GGA,Im-3m,A4BC12D3_cI40_229_c_a_de_b:Ba-Li-O-Sb,20.0,"Invalid WP multiplicities - A4BC12D3_cI40_229_c_a_2de_b:Ba-Li-O-Sb, expected Ba4Li(SbO6)3 to be Ba4Li(SbO4)3" +mp-1235314,Ba3LiTi3O8,-7.758552632,-3.0301637369,0.1518734537,0.1518734537,GGA,P1,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti,15.0,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti +mp-1235466,Ba3LiTi3O8,-7.7257486407,-2.9973597456,0.184677445,0.184677445,GGA,P1,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti,15.0,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti +mp-1235944,Ba3LiTi3O8,-7.771164274,-3.0427753789,0.1392618117,0.1392618117,GGA,P1,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti,15.0,A3BC8D3_aP15_1_3a_a_8a_3a:Ba-Li-O-Ti +mp-1236649,Ba3LiTi3O8,-7.7245585273,-2.9961696322,0.1858675583,0.1858675583,GGA,P-1,A3BC8D3_aP15_2_di_b_ac3i_fi:Ba-Li-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_aP15_2_di_b_ac6i_fi:Ba-Li-O-Ti, expected Ba3LiTi3O14 to be Ba3LiTi3O8" +mp-1235029,Ba3LiTi3O8,-7.7806205147,-3.0522316196,0.129805571,0.129805571,GGA,Cm,A3BC8D3_mC30_8_3a_a_2a3b_3a:Ba-Li-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_8_3a_a_2a6b_3a:Ba-Li-O-Ti, expected Ba3LiTi3O14 to be Ba3LiTi3O8" +mp-1235114,Ba3LiTi3O8,-7.758900712,-3.0305118169,0.1515253737,0.1515253737,GGA,Cm,A3BC8D3_mC30_8_3a_a_2a3b_3a:Ba-Li-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_8_3a_a_2a6b_3a:Ba-Li-O-Ti, expected Ba3LiTi3O14 to be Ba3LiTi3O8" +mp-1235522,Ba3LiTi3O8,-7.7391256947,-3.0107367996,0.171300391,0.171300391,GGA,Cm,A3BC8D3_mC30_8_3a_a_2a3b_3a:Ba-Li-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_8_3a_a_2a6b_3a:Ba-Li-O-Ti, expected Ba3LiTi3O14 to be Ba3LiTi3O8" +mp-1236377,Ba3LiTi3O8,-7.768790712699999,-3.0404018176,0.141635373,0.141635373,GGA,C2/m,A3BC8D3_mC30_12_ci_b_fij_ai:Ba-Li-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_12_ci_a_2e2i4j_bi:Ba-Li-O-Ti, expected Ba3LiTi3O24 to be Ba3LiTi3O8" +mp-767511,Ba4Li6Ti19O44,-8.653108954,-3.3545050009,0.0352152949,0.0352152949,GGA,P1,A4B6C44D19_aP73_1_4a_6a_44a_19a:Ba-Li-O-Ti,73.0,A4B6C44D19_aP73_1_4a_6a_44a_19a:Ba-Li-O-Ti +mp-695259,Ba3LiTi5(SbO7)3,-7.9288655873,-2.9770239380000003,0.0346875157,0.0346875157,GGA,P1,A3BC21D3E5_aP66_1_6a_2a_42a_6a_10a:Ba-Li-O-Sb-Ti,66.0,A3BC21D3E5_aP66_1_6a_2a_42a_6a_10a:Ba-Li-O-Sb-Ti +mp-766108,Ba3LiTi5(SbO7)3,-7.9337665344,-2.9819248851,0.0297865686,0.0297865686,GGA,Cmc2_1,A3BC21D3E5_oC132_36_ab_a_3a9b_ab_a2b:Ba-Li-O-Sb-Ti,66.0,"Invalid WP multiplicities - A3BC21D3E5_oC132_36_ab_a_6a36b_2a2b_2a6b:Ba-Li-O-Sb-Ti, expected Ba3LiTi14(SbO13)6 to be Ba3LiTi5(SbO7)3" +mp-772829,Ba6Li2Ti7(Sb3O14)3,-7.5035610495,-2.7229235265,0.0687816844,0.0687816844,GGA,Cm,A6B2C42D9E7_mC132_8_2a2b_2a_6a18b_a4b_3a2b:Ba-Li-O-Sb-Ti,66.0,"Invalid WP multiplicities - A6B2C42D9E7_mC132_8_2a3b_2a_6a36b_a7b_3a3b:Ba-Li-O-Sb-Ti, expected Ba8Li2Ti9(Sb5O26)3 to be Ba6Li2Ti7(Sb3O14)3" +mp-767384,Ba2LiTi11O24,-9.01877029,-3.4577751847,0.0140098763,0.0140098763,GGA,P1,A2BC24D11_aP38_1_2a_a_24a_11a:Ba-Li-O-Ti,38.0,A2BC24D11_aP38_1_2a_a_24a_11a:Ba-Li-O-Ti +mp-775484,Ba6Li2Ti16O39,-8.7771925227,-3.4663920881,0.0155769354,0.0155769354,GGA,C2/m,A6B2C39D16_mC126_12_ij_i_ag6i6j_2i3j:Ba-Li-O-Ti,63.0,"Invalid WP multiplicities - A6B2C39D16_mC126_12_2ij_i_a2g12i14j_3i6j:Ba-Li-O-Ti, expected Ba8Li2Ti30O85 to be Ba6Li2Ti16O39" +mp-1228624,Ba3Ti4Sb4O21,-7.7800945692,-2.8508645448000003,0.0281497455,0.0281497455,GGA,C2/c,A3B21C4D4_mC128_15_ef_e10f_2f_2f:Ba-O-Sb-Ti,64.0,"Invalid WP multiplicities - A3B21C4D4_mC128_15_2e2f_2e37f_2f_8f:Ba-O-Sb-Ti, expected Ba3Ti8(SbO19)2 to be Ba3Ti4Sb4O21" +mp-1070806,BaTi2Sb2O,-6.7033877183,-1.5509460242,0.0,-0.0379030171,GGA,P4/mmm,ABC2D2_tP6_123_a_b_h_e:Ba-O-Sb-Ti,6.0,ABC2D2_tP6_123_a_b_h_e:Ba-O-Sb-Ti +mp-558083,BaLi2Ti6O14,-8.713532066700001,-3.3933836002,0.0,-0.013715596,GGA,Cmce,AB2C14D6_oC184_64_f_g_2d2f5g_de2g:Ba-Li-O-Ti,92.0,"Invalid WP multiplicities - AB2C14D6_oC184_64_f_g_7d6f35g_4d4e13g:Ba-Li-O-Ti, expected BaLi2Ti34O83 to be BaLi2Ti6O14" +mp-1214869,Al2CuMo,-5.7227048475,-0.1137027375,0.1613991389,0.1613991389,GGA,I4/mmm,A2BC_tI8_139_d_a_b:Al-Cu-Mo,4.0,A2BC_tI8_139_d_a_b:Al-Cu-Mo +mp-1043885,Sr2AlCu2MoO7,-6.8256853015,-2.1491124427,0.3369257521,0.3369257521,GGA+U,Cm,AB2CD7E2_mC52_8_b_2b_2a_2a6b_2b:Al-Cu-Mo-O-Sr,26.0,"Invalid WP multiplicities - AB2CD7E2_mC52_8_b_3b_2a_2a9b_3b:Al-Cu-Mo-O-Sr, expected Sr3AlCu3MoO10 to be Sr2AlCu2MoO7" +mp-1218517,Sr4Al6MoO16,-7.7051158678,-3.289408524,0.0058626083,-0.0058207758,GGA+U,I-4m2,A6BC16D4_tI54_119_abi_c_h3i_g:Al-Mo-O-Sr,27.0,"Invalid WP multiplicities - A6BC16D4_tI54_119_ab3i_c_4h9i_g:Al-Mo-O-Sr, expected Sr4Al14MoO52 to be Sr4Al6MoO16" +mp-6120,Sr4Al6MoO16,-7.7109784761,-3.2952711322,0.0,-0.0116833841,GGA+U,I4_1/acd,A6BC16D4_tI432_142_abf2g_e_8g_2fg:Al-Mo-O-Sr,216.0,A6BC16D4_tI432_142_abf2g_e_8g_2fg:Al-Mo-O-Sr +mp-1079351,Sr2CuMoO6,-7.163793362,-2.3633957666,0.067924766,0.067924766,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Cu-Mo-O-Sr,10.0,ABC6D2_tI20_87_a_b_eh_d:Cu-Mo-O-Sr +mp-1043112,Sr2Cu2MoO7,-6.5672547567,-1.813098812,0.3702401467,0.3702401467,GGA+U,Cm,A2BC7D2_mC48_8_2b_2a_2a6b_2b:Cu-Mo-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_8_3b_2a_2a9b_3b:Cu-Mo-O-Sr, expected Sr3Cu3MoO10 to be Sr2Cu2MoO7" +mp-1045851,AlCu3(MoO3)4,-7.496265971,-1.5569629302,0.3287434325,0.3287434325,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Mo-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Mo-O +mp-1228135,Al5CuMo2,-5.8405547925,-0.2757565375,0.0318500727,0.0318500727,GGA,P4/mmm,A5BC2_tP8_123_ai_d_bc:Al-Cu-Mo,8.0,A5BC2_tP8_123_ai_d_bc:Al-Cu-Mo +mp-756939,Li4Mn3TeO12,-6.706765264,-1.8254998754,0.0713831558,0.0713831558,GGA+U,P2,A4B3C12D_mP20_3_abcd_abc_6e_d:Li-Mn-O-Te,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_3_abcd_abc_11e_d:Li-Mn-O-Te, expected Li4Mn3TeO22 to be Li4Mn3TeO12" +mp-778817,Li4Mn3Nb3(TeO8)2,-7.7239942339,-2.3361626757,0.0915537037,0.0915537037,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Nb-O-Te,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Nb-O-Te, expected Li4Mn3Nb3(TeO10)2 to be Li4Mn3Nb3(TeO8)2" +mp-12681,LiMnTe2,-4.858863575,-0.5194760886,0.1498501586,0.1498501586,GGA,P3m1,ABC2_hP4_156_b_a_ac:Li-Mn-Te,4.0,ABC2_hP4_156_b_a_ac:Li-Mn-Te +mp-756626,Li4Mn(TeO4)3,-6.094165855,-1.8147714063,0.0647254522,0.0647254522,GGA+U,P1,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Mn-O-Te,20.0,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Mn-O-Te +mp-777779,Li4Mn(TeO4)3,-6.1138132375,-1.8344187888,0.0450780697,0.0450780697,GGA+U,P2,A4BC12D3_mP20_3_abcd_a_6e_bcd:Li-Mn-O-Te,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_3_abcd_a_11e_bcd:Li-Mn-O-Te, expected Li4MnTe3O22 to be Li4Mn(TeO4)3" +mp-773469,Li4Mn5Te3O16,-6.9585717146,-1.8863322508,0.083384723,0.083384723,GGA+U,P1,A4B5C16D3_aP28_1_4a_5a_16a_3a:Li-Mn-O-Te,28.0,A4B5C16D3_aP28_1_4a_5a_16a_3a:Li-Mn-O-Te +mp-1301741,Li2Mn3TeO8,-7.2829829514,-1.9957895805,0.0073799878,0.0073799878,GGA+U,P-1,A2B3C8D_aP28_2_2i_abcefh_8i_i:Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_aP28_2_3i_abcefh_14i_i:Li-Mn-O-Te, expected Li3Mn3TeO14 to be Li2Mn3TeO8" +mp-1303020,Li2Mn3TeO8,-7.2824566368,-1.9952632659,0.0079063025,0.0079063025,GGA+U,C2/m,A2B3C8D_mC28_12_i_ce_2ij_a:Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_2i2j_a:Li-Mn-O-Te, expected Li2Mn6TeO12 to be Li2Mn3TeO8" +mp-1306845,Li2Mn3TeO8,-7.2842652818,-1.9970719109,0.0060976575,0.0060976575,GGA+U,C2/c,A2B3C8D_mC56_15_f_abc_4f_e:Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_mC56_15_f_2a2c2d_8f_e:Li-Mn-O-Te, expected Li2Mn6TeO16 to be Li2Mn3TeO8" +mp-755971,Li2Mn3TeO8,-7.276343845,-1.9891504741,0.0140190942,0.0140190942,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-Te,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Mn-O-Te, expected Li2Mn3TeO10 to be Li2Mn3TeO8" +mp-753235,Li2Mn3TeO8,-7.2869935846,-1.9998002137,0.0033693546,0.0033693546,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Mn-O-Te, expected Li3Mn3TeO30 to be Li2Mn3TeO8" +mp-1210977,LiMn2TeO6,-7.235553488,-1.9299143268,0.0,-0.0031398283,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Li-Mn-O-Te,20.0,AB2C6D_aP20_1_2a_4a_12a_2a:Li-Mn-O-Te +mp-1313661,Li3Mn3TeO8,-7.076562781,-2.0145874437,0.0486368714,0.0486368714,GGA+U,P2_1,A3B3C8D_mP30_4_3a_3a_8a_a:Li-Mn-O-Te,30.0,"Invalid WP multiplicities - A3B3C8D_mP30_4_5a_5a_15a_a:Li-Mn-O-Te, expected Li5Mn5TeO15 to be Li3Mn3TeO8" +mp-1290858,Li3Mn3TeO8,-7.0745688977,-2.0125935604,0.0506307548,0.0506307548,GGA+U,C2/m,A3B3C8D_mC30_12_ce_bf_2ij_a:Li-Mn-O-Te,30.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_cf_2b2e_3i2j_a:Li-Mn-O-Te, expected Li3Mn6TeO14 to be Li3Mn3TeO8" +mp-1311690,Li3Mn3TeO8,-7.0794522227,-2.0174768854,0.0457474298,0.0457474298,GGA+U,P2/c,A3B3C8D_mP30_13_acf_bde_4g_e:Li-Mn-O-Te,30.0,"Invalid WP multiplicities - A3B3C8D_mP30_13_2acf_2bde_11g_e:Li-Mn-O-Te, expected Li4Mn4TeO22 to be Li3Mn3TeO8" +mp-1299593,Li3Mn3TeO8,-7.0812348173,-2.01925948,0.0439648351,0.0439648351,GGA+U,C2/c,A3B3C8D_mC60_15_ef_abc_4f_d:Li-Mn-O-Te,30.0,"Invalid WP multiplicities - A3B3C8D_mC60_15_e2f_a2cd_10f_b:Li-Mn-O-Te, expected Li5Mn4TeO20 to be Li3Mn3TeO8" +mp-1302799,Li3Mn3TeO8,-7.0828757827,-2.0209004454,0.0423238698,0.0423238698,GGA+U,C2/c,A3B3C8D_mC60_15_cf_abe_4f_e:Li-Mn-O-Te,30.0,"Invalid WP multiplicities - A3B3C8D_mC60_15_af_2c2de_11f_e:Li-Mn-O-Te, expected Li3Mn5TeO22 to be Li3Mn3TeO8" +mp-756611,Li3Mn3TeO8,-7.066734705,-2.0047593677,0.0584649474,0.0584649474,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Li-Mn-O-Te,30.0,A3B3C8D_hR45_166_d_e_ch_a:Li-Mn-O-Te +mp-1521513,SrSmEuNiO6,-7.666813845,-2.4542788114,0.2164223937,0.2164223937,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Ni-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Ni-O-Sm-Sr +mp-1521550,SmEu(NiO3)4,-6.22603402,-0.8117896206,0.7196373004000001,0.7196373004000001,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Eu-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Eu-Ni-O-Sm, expected SmEu(NiO4)4 to be SmEu(NiO3)4" +mp-1184153,DySnO3,-6.844083536,-2.1527985702,0.8484255742,0.8484255742,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Dy-O-Sn,5.0,AB3C_cP5_221_a_c_b:Dy-O-Sn +mp-20845,Dy2Sn2O7,-7.744707809999999,-3.0302043219,0.0,-0.0572766527,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Dy-O-Sn +mp-1521304,BaEuDySnO6,-8.0753581883,-3.028111418,0.0649081822,0.0649081822,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Dy-Eu-O-Sn,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Dy-Eu-O-Sn, expected BaEu2DySnO12 to be BaEuDySnO6" +mp-1521440,BaEuDySnO6,-7.97406592,-2.9268191498,0.1662004504,0.1662004504,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-Sn +mp-1232285,Tb2MgSe4,-5.3242334404000005,-1.7738537031,0.19095865,0.19095865,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Tb,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Tb +mp-1232289,Tb2MgSe4,-5.4924231641,-1.9420434269,0.0227689263,0.0227689263,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Tb,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Tb +mp-1232284,Tb2MgSe4,-5.4952808086000005,-1.9449010713,0.0199112818,0.0199112818,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Tb,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Tb +mp-1232286,Tb2MgSe4,-5.4556794057,-1.9052996685,0.0595126846,0.0595126846,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-Se-Tb,28.0,AB4C2_oP28_62_c_4c_2c:Mg-Se-Tb +mp-1232345,Tb2MgSe4,-5.2935872596,-1.7432075224,0.2216048307,0.2216048307,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Tb,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Tb +mp-1232278,Tb2MgSe4,-5.4376186579,-1.8872389206,0.0775734325,0.0775734325,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-Se-Tb,14.0,AB4C2_tI28_122_a_e_d:Mg-Se-Tb +mp-1232301,Tb2MgSe4,-5.5099265286,-1.9595467913,0.0052655618,0.0052655618,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-Se-Tb,14.0,AB4C2_cF56_227_a_e_d:Mg-Se-Tb +mp-1232315,TbMgSe3,-4.777536038,-1.4330599214,0.3044605607,0.3044605607,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Tb,20.0,AB3C_mC20_12_g_ij_i:Mg-Se-Tb +mp-1237963,TbMgSe3,-4.738442848,-1.3939667314,0.3435537507,0.3435537507,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Tb,10.0,AB3C_mC20_12_g_ij_i:Mg-Se-Tb +mp-1232347,TbMgSe3,-4.8476744143,-1.5031982977,0.2343221843,0.2343221843,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-Se-Tb,30.0,AB3C_hR30_148_c_f_c:Mg-Se-Tb +mp-1519386,SrEuHfNbO6,-9.586245667,-3.4177335079,0.0674514624,0.0674514624,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Nb-O-Sr +mp-1228360,Ba2InCuO4,-6.03627111,-2.2268217194,0.0,-1.09087e-05,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_eg:Ba-Cu-In-O,8.0,A2BCD4_tP8_123_h_a_b_eg:Ba-Cu-In-O +mp-679985,Ba3In4(CuO4)3,-5.9793173757,-1.9601562718,0.0348199268,0.0348199268,GGA,I4/mcm,A3B3C4D12_tI88_140_ch_bh_j_ikl:Ba-Cu-In-O,44.0,"Invalid WP multiplicities - A3B3C4D12_tI88_140_2c2h_2b2h_j_6i6k5l:Ba-Cu-In-O, expected Ba3In2Cu3O34 to be Ba3In4(CuO4)3" +mp-21067,ScInCu2,-4.633405225,-0.3127636812,0.0,-0.00944676,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-In-Sc,4.0,A2BC_cF16_225_c_a_b:Cu-In-Sc +mp-13240,ScInCu4,-4.506963465,-0.2601335458,0.0,-0.051624425,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-In-Sc,6.0,A4BC_cF24_216_e_a_c:Cu-In-Sc +mp-1147688,BaIn(Cu3O4)2,-5.4514946444,-1.1490316206,0.196313297,0.196313297,GGA,Fm-3m,AB6CD8_cF64_225_a_d_b_f:Ba-Cu-In-O,16.0,AB6CD8_cF64_225_a_d_b_f:Ba-Cu-In-O +mp-1078544,Sc2InCu2,-5.091552127,-0.368545071,0.0,-0.039686343,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-In-Sc,10.0,A2BC2_tP10_127_g_a_h:Cu-In-Sc +mp-1219449,ScInO6,-6.08780002,-1.2422643822,0.6225239885,0.6225239885,GGA,C2/m,AB6C_mC32_12_e_2i2j_f:In-O-Sc,16.0,AB6C_mC32_12_e_2i2j_f:In-O-Sc +mp-1093961,Sc2InCu,-2.7436262175,2.135330935,2.5060582356000003,2.5060582356000003,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-In-Sc,4.0,ABC2_oI8_71_a_b_e:Cu-In-Sc +mp-1228709,Ba3Sc3In(CuO4)3,-7.1664483857,-2.658998367,0.0084128654,0.0084128654,GGA,I222,A3B3CD12E3_oI88_23_jk_ack_e_6k_fgh:Ba-Cu-In-O-Sc,44.0,"Invalid WP multiplicities - A3B3CD12E3_oI88_23_jk_ack_e_9k_fgh:Ba-Cu-In-O-Sc, expected Ba3Sc3In(CuO6)3 to be Ba3Sc3In(CuO4)3" +mp-1228084,Ba4Sc2Cu2O9,-7.1075553688,-2.8099406799,0.0,-0.0132788713,GGA,Fmmm,A4B2C9D2_oF68_69_m_g_afin_d:Ba-Cu-O-Sc,17.0,A4B2C9D2_oF68_69_m_g_afin_d:Ba-Cu-O-Sc +mp-16435,Ba3Sc4(CuO4)3,-7.5585414009,-2.8883284107,0.0031361454,0.0031361454,GGA,I4/mcm,A3B3C12D4_tI88_140_ch_bh_ikl_j:Ba-Cu-O-Sc,44.0,A3B3C12D4_tI88_140_ch_bh_ikl_j:Ba-Cu-O-Sc +mp-768358,ScInO3,-7.694859255,-2.9100154612,0.0736459319,0.0736459319,GGA,P6_3/mmc,AB3C_hP10_194_a_bf_c:In-O-Sc,10.0,AB3C_hP10_194_a_bf_c:In-O-Sc +mp-1228350,Ba2ScCuO4,-7.1376462637,-2.8805987012000003,0.0,-0.0481155958,GGA,P4/mmm,A2BC4D_tP8_123_h_a_eg_b:Ba-Cu-O-Sc,8.0,A2BC4D_tP8_123_h_a_eg_b:Ba-Cu-O-Sc +mp-1229195,Ba4CaGd3(Co4O11)2,-7.5300215637,-1.8036120803,0.5099033109000001,0.5099033109000001,GGA+U,Fmm2,A4BC8D3E22_oF152_42_2c_a_2e_3a_2b4cd2e:Ba-Ca-Co-Gd-O,38.0,"Invalid WP multiplicities - A4BC8D3E22_oF152_42_2c_a_2e_3a_2b8cd3e:Ba-Ca-Co-Gd-O, expected Ba4CaGd3(Co4O17)2 to be Ba4CaGd3(Co4O11)2" +mp-1519242,SrPrEuNbO6,-9.025180352,-3.3742965204,0.027133619,0.027133619,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Eu-Nb-O-Pr-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Eu-Nb-O-Pr-Sr, expected SrPrEuNbO12 to be SrPrEuNbO6" +mp-1519406,SrPrEuNbO6,-8.9676556393,-3.3167718077,0.0846583318,0.0846583318,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:Eu-Nb-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_f_2c2d:Eu-Nb-O-Pr-Sr, expected Sr2PrEuNbO12 to be SrPrEuNbO6" +mp-1519336,SrPrEuNbO6,-8.872852937,-3.2219691054,0.179461034,0.179461034,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nb-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nb-O-Pr-Sr +mp-1521671,NaSrPrSbO6,-6.7082307075,-2.5480249066000003,0.0981104532,0.0981104532,GGA,Pnnn,AB6CDE_oP40_48_ab_3m_e_f_cd:Na-O-Pr-Sb-Sr,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_e_f_2c2d:Na-O-Pr-Sb-Sr, expected NaSr2PrSbO12 to be NaSrPrSbO6" +mp-1521871,NaSrPrSbO6,-6.658877433,-2.4986716321,0.1474637277,0.1474637277,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Pr-Sb-Sr +mp-4991,Tb2Sn2O7,-7.7476396536,-3.0281217547,0.0,-0.0670582547,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Sn-Tb,22.0,A7B2C2_cF88_227_af_d_c:O-Sn-Tb +mp-686370,Ba6Tb3Nb(SnO9)2,-7.4352444099,-3.0159846268,0.0834820604,0.0834820604,GGA,P3m1,A6BC18D2E3_hP90_156_6a6b6c_2ab_18d_a2b3c_3a3b3c:Ba-Nb-O-Sn-Tb,90.0,"Invalid WP multiplicities - A6BC18D2E3_hP90_156_6a6b6c_2ab_39d_a2b3c_3a3b3c:Ba-Nb-O-Sn-Tb, expected Ba6Tb3NbSn2O39 to be Ba6Tb3Nb(SnO9)2" +mp-1104137,Tb(NbSn)6,-7.1835682823,-0.3143661692,0.0,-0.0556254023,GGA,P6/mmm,A6B6C_hP13_191_i_cde_a:Nb-Sn-Tb,13.0,A6B6C_hP13_191_i_cde_a:Nb-Sn-Tb +mp-677468,Ba16Tb8Nb5(SnO16)3,-7.8388699593,-3.2419346249,0.0120366564,0.0120366564,GGA,P4,A16B5C48D3E8_tP80_75_8c_2a3b_8a8b8d_2ab_4a4b:Ba-Nb-O-Sn-Tb,80.0,"Invalid WP multiplicities - A16B5C48D3E8_tP80_75_16c_2a3b_8a8b30d_2ab_4a4b:Ba-Nb-O-Sn-Tb, expected Ba32Tb8Nb5Sn3O136 to be Ba16Tb8Nb5(SnO16)3" +mp-1517918,BaTbNbSnO6,-8.0377263635,-3.0032913433,0.1275897332,0.1275897332,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Nb-O-Sn-Tb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Nb-O-Sn-Tb, expected BaTbNbSnO12 to be BaTbNbSnO6" +mp-1517744,BaTbNbSnO6,-8.0351416883,-3.000706668,0.1301744084,0.1301744084,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Nb-O-Sn-Tb,40.0,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Nb-O-Sn-Tb +mp-1517735,BaTbNbSnO6,-7.99476851,-2.9603334898,0.1705475867,0.1705475867,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sn-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sn-Tb +mp-1519256,Ba2TbSnO6,-7.1210338992,-2.904831889,0.0180581192,0.0180581192,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sn-Tb,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sn-Tb +mp-1228305,Ba2TbSnO6,-7.122305245,-2.9061032347,0.0167867734,0.0167867734,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-Tb +mp-1517794,BaSmCrSnO6,-7.686911969,-2.6888807022,0.1911527898,0.1911527898,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sm-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sm-Sn +mp-1521461,Ba2CrSnO6,-7.222270676,-2.5042005287,0.1004475473,0.1004475473,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sn +mp-1228582,Ba4Sr2Sm2Co4O15,-7.1491172057,-2.588907547,0.0,-0.0174073585,GGA+U,P1,A4B4C15D2E2_aP54_1_8a_8a_30a_4a_4a:Ba-Co-O-Sm-Sr,54.0,A4B4C15D2E2_aP54_1_8a_8a_30a_4a_4a:Ba-Co-O-Sm-Sr +mp-1521847,SrSm(CoO3)4,-6.6418855711,-1.4084624987,0.2438725445,0.2438725445,GGA+U,P4/mmm,A4B12CD_tP18_123_i_efr_a_d:Co-O-Sm-Sr,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_i_2e2fr_a_d:Co-O-Sm-Sr, expected SrSm(CoO4)4 to be SrSm(CoO3)4" +mp-1205695,BaSm(CoO3)2,-7.252505414,-2.1990725207,0.114387874,0.114387874,GGA+U,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:Ba-Co-O-Sm,10.0,AB2C6D_tP10_123_c_g_abi_d:Ba-Co-O-Sm +mp-1516805,BaSm(CoO3)4,-6.6245732356,-1.3784011917,0.2693665835,0.2693665835,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Co-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Co-O-Sm, expected BaSm(CoO4)4 to be BaSm(CoO3)4" +mp-1218459,Sr3Sm(CoO4)2,-7.0900358736,-2.5488064611,0.0180387589,0.0180387589,GGA+U,Amm2,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Co-O-Sm-Sr,14.0,A2B8CD3_oC28_38_ab_2a2bf_a_a2b:Co-O-Sm-Sr +mp-1217772,SrSmCoO4,-7.4575327086,-2.6999395331,0.0587747729,0.0587747729,GGA+U,Cmcm,AB4CD_oC28_63_c_2cd_c_c:Co-O-Sm-Sr,14.0,"Invalid WP multiplicities - AB4CD_oC28_63_c_4cd_c_c:Co-O-Sm-Sr, expected SrSmCoO6 to be SrSmCoO4" +mp-1217761,SrSmCoO4,-7.47828271,-2.7206895345,0.0380247715,0.0380247715,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Co-O-Sm-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Co-O-Sm-Sr +mp-1214473,BaSm2(CoO3)2,-7.6572149166,-2.6342226377,0.1196073441,0.1196073441,GGA+U,Pnnm,AB2C6D2_oP44_58_g_h_2efgh_h:Ba-Co-O-Sm,44.0,AB2C6D2_oP44_58_g_h_2efgh_h:Ba-Co-O-Sm +mp-19248,BaSm2CoO5,-7.8800005389,-3.080232921,0.0,-0.0090091425,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Co-O-Sm,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Co-O-Sm +mp-1220174,NdFeNi4,-6.2595617783,-0.1997758846,0.0551026053,0.0551026053,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Fe-Nd-Ni,6.0,ABC4_hP6_187_a_c_ek:Fe-Nd-Ni +mp-1227142,CaNdFeO4,-7.8844265907,-2.8800661096,0.0518765763,0.0518765763,GGA+U,Cmc2_1,ABCD4_oC28_36_a_a_a_2ab:Ca-Fe-Nd-O,14.0,"Invalid WP multiplicities - ABCD4_oC28_36_a_a_a_4ab:Ca-Fe-Nd-O, expected CaNdFeO6 to be CaNdFeO4" +mp-974527,NdSmZn2,-3.3227451675,-0.3211899706,0.001036685,0.001036685,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Nd-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Nd-Sm-Zn +mp-1519418,NdSm(FeO3)4,-7.5151744311,-1.8081142676,0.216772144,0.216772144,GGA+U,Cmmm,A4BC12D_oC36_65_m_a_efno_c:Fe-Nd-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_oC36_65_m_a_2e2fno_c:Fe-Nd-O-Sm, expected NdSm(FeO4)4 to be NdSm(FeO3)4" +mp-1196648,Nd6ZnFe13,-7.0160807112,-0.0171355145,0.0143379414,0.0143379414,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Zn,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Zn +mp-1197024,FeBi(SeO3)3,-6.2506830479,-1.4422228211,0.0,-0.0182328163,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Bi-Fe-O-Se,56.0,ABC9D3_oP56_19_a_a_9a_3a:Bi-Fe-O-Se +mp-1192577,FeBi2Se2Cl3O7,-5.7078427437,-1.4868258514,0.0,-0.007447159,GGA+U,P2_1/m,A2B3CD7E2_mP30_11_2e_ef_a_3e2f_2e:Bi-Cl-Fe-O-Se,30.0,A2B3CD7E2_mP30_11_2e_ef_a_3e2f_2e:Bi-Cl-Fe-O-Se +mp-1396276,CaLa2SnO6,-7.80596328,-3.2492314588,0.0442027452,0.0442027452,GGA,R-3,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Sn,10.0,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Sn +mp-694915,CaLaMnSnO6,-7.7812904955,-2.8019578555,0.1171894927,0.1171894927,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-La-Mn-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Ca-La-Mn-O-Sn, expected CaLaMnSnO12 to be CaLaMnSnO6" +mp-1218539,SrCaNbCrO6,-8.4153062,-3.1023483889,0.0024713149,0.0024713149,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-Nb-O-Sr,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-Nb-O-Sr +mp-1225974,CsLa2Ti2NbO10,-8.84334057,-3.460428522,0.0276743729,0.0276743729,GGA,Cm,AB2CD10E2_mC32_8_a_2a_a_4a3b_2a:Cs-La-Nb-O-Ti,16.0,AB2CD10E2_mC32_8_a_2a_a_4a3b_2a:Cs-La-Nb-O-Ti +mp-1026729,LaMg14Bi,-1.9979190594,-0.0491430009,0.0996815222,0.0996815222,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-La-Mg, expected LaMg18Bi to be LaMg14Bi" +mp-1026730,LaMg14Bi,-1.9517995262,-0.0030234678,0.1458010553,0.1458010553,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-La-Mg, expected LaMg26Bi to be LaMg14Bi" +mp-1017475,LaMg6Bi,-2.4028192731,-0.1055472062,0.1751863318,0.1751863318,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-La-Mg, expected LaMg12Bi to be LaMg6Bi" +mp-1099320,LaMg6Bi,-2.39063807,-0.0933660031,0.1873675349,0.1873675349,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:Bi-La-Mg +mp-568964,La3MgBi5,-4.7085515828,-0.7518019144,0.0201951761,0.0201951761,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Bi-La-Mg,18.0,"Invalid WP multiplicities - A5B3C_hP18_193_3d3g_g_b:Bi-La-Mg, expected La3MgBi15 to be La3MgBi5" +mp-1044928,LaMgCr2O6,-8.282117439,-2.7298660028,0.1432686164,0.1432686164,GGA+U,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Cr-La-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a4b:Cr-La-Mg-O, expected LaMgCr2O12 to be LaMgCr2O6" +mp-1049203,LaMgCrBiO6,-7.472137109,-2.5011415067,0.1724305368,0.1724305368,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Bi-Cr-La-Mg-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_12a:Bi-Cr-La-Mg-O, expected LaMgCrBiO12 to be LaMgCrBiO6" +mp-1233043,La2MgCrO6,-8.294066096,-3.2135186962,0.0163574734,0.0163574734,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Cr-La-Mg-O,10.0,AB2CD6_hR30_148_a_c_b_f:Cr-La-Mg-O +mp-1040863,LaCrBiO6,-7.5266137406,-2.1810941881,0.185552321,0.185552321,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Bi-Cr-La-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_12a:Bi-Cr-La-O, expected LaCrBiO12 to be LaCrBiO6" +mp-2230758,La4MgCr2O12,-8.2118173853,-2.9480980197,0.1846601602,0.1846601602,GGA+U,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Cr-La-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Cr-La-Mg-O +mp-2228331,La4MgCr2O12,-8.2306545326,-2.9669351671,0.1658230128,0.1658230128,GGA+U,C2,A2B4CD12_mC38_5_ab_2c_a_6c:Cr-La-Mg-O,19.0,"Invalid WP multiplicities - A2B4CD12_mC38_5_ab_2c_a_12c:Cr-La-Mg-O, expected La4MgCr2O24 to be La4MgCr2O12" +mp-1223055,La4MgCr3O12,-8.6942950583,-3.2111092875,0.0025221577,0.0025221577,GGA+U,P-1,A3B4CD12_aP20_2_abe_2i_h_6i:Cr-La-Mg-O,40.0,"Invalid WP multiplicities - A3B4CD12_aP20_2_2abh_2i_e_6i:Cr-La-Mg-O, expected La4MgCr4O12 to be La4MgCr3O12" +mp-1393845,La2MgBiO6,-7.410365416,-2.9110738503,0.1015074721,0.1015074721,GGA,R-3,AB2CD6_hR30_148_a_c_b_f:Bi-La-Mg-O,10.0,AB2CD6_hR30_148_a_c_b_f:Bi-La-Mg-O +mp-1173276,Sr2La2FeCu3O10,-7.0329424611,-2.3948574917,0.005823775,0.005823775,GGA+U,Pbam,A3BC2D10E2_oP36_55_bh_d_g_acg3h_g:Cu-Fe-La-O-Sr,36.0,"Invalid WP multiplicities - A3BC2D10E2_oP36_55_bh_d_g_2a2c3g11h_g:Cu-Fe-La-O-Sr, expected Sr2La2FeCu3O32 to be Sr2La2FeCu3O10" +mp-1173271,Sr2La6FeCu7O20,-7.1690820169,-2.472046693,0.0197190579,0.0197190579,GGA+U,Pm,A7BC6D20E2_mP36_6_7a_a_6b_12a8b_2b:Cu-Fe-La-O-Sr,36.0,A7BC6D20E2_mP36_6_7a_a_6b_12a8b_2b:Cu-Fe-La-O-Sr +mp-1218789,Sr2La3Fe4CuO15,-7.703421009,-2.488755793,0.0273769946,0.0273769946,GGA+U,R-3m,AB4C3D15E2_hR75_166_a_2c_bc_d2h_c:Cu-Fe-La-O-Sr,50.0,AB4C3D15E2_hR75_166_a_2c_bc_d2h_c:Cu-Fe-La-O-Sr +mp-1519757,BaNaMnSnO6,-6.625877213,-2.0165552482,0.164822733,0.164822733,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Na-O-Sn,,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Na-O-Sn +mp-1221384,Na2Fe3SbO8,-6.9256049514,-1.8000602981,0.0613458771,0.0613458771,GGA+U,Pmn2_1,A3B2C8D_oP28_31_3a_2a_8a_a:Fe-Na-O-Sb,28.0,"Invalid WP multiplicities - A3B2C8D_oP28_31_4a_3a_12a_a:Fe-Na-O-Sb, expected Na3Fe4SbO12 to be Na2Fe3SbO8" +mp-1224759,Gd2FeSbO7,-9.6944511405,-2.8418976942,0.0,-0.007144572,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Fe-Gd-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Fe-Gd-O-Sb, expected Gd2FeSbO13 to be Gd2FeSbO7" +mp-19844,Na(FeSb3)4,-5.1993163776,-0.2139854945,0.0,-0.0192862339,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Na-Sb,17.0,A4BC12_cI34_204_c_a_g:Fe-Na-Sb +mp-677372,Ti10Bi(Pb3O10)3,-7.9958573302,-2.7036594449,0.0219981907,0.0219981907,GGA,P1,AB30C9D10_aP50_1_a_30a_9a_10a:Bi-O-Pb-Ti,50.0,AB30C9D10_aP50_1_a_30a_9a_10a:Bi-O-Pb-Ti +mp-1217509,Ti3NiBi2(PbO6)2,-7.6032157446,-2.4065582614,0.0349254519,0.0349254519,GGA+U,P1,A2BC12D2E3_aP20_1_2a_a_12a_2a_3a:Bi-Ni-O-Pb-Ti,80.0,A2BC12D2E3_aP20_1_2a_a_12a_2a_3a:Bi-Ni-O-Pb-Ti +mp-571457,Ti4NiBi2,-6.7315071271,-0.2967809833,0.0,-0.0634308866,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Bi-Ni-Ti,14.0,A2BC4_tI28_140_h_a_k:Bi-Ni-Ti +mp-1217792,Ti5Bi4(PbO9)2,-7.8218620128,-2.6044445112,0.0158853332,0.0158853332,GGA,Cc,A4B18C2D5_mC116_9_4a_18a_2a_5a:Bi-O-Pb-Ti,58.0,"Invalid WP multiplicities - A4B18C2D5_mC116_9_5a_27a_2a_7a:Bi-O-Pb-Ti, expected Ti7Bi5Pb2O27 to be Ti5Bi4(PbO9)2" +mp-698793,Ba5SrLa2Fe4O15,-7.513272910099999,-2.7267248408,0.0018393718,-0.0136048968,GGA+U,Cc,A5B4C2D15E_mC216_9_10a_8a_4a_30a_2a:Ba-Fe-La-O-Sr,108.0,"Invalid WP multiplicities - A5B4C2D15E_mC216_9_17a_12a_5a_52a_2a:Ba-Fe-La-O-Sr, expected Ba17Sr2La5(Fe3O13)4 to be Ba5SrLa2Fe4O15" +mp-1228552,Ba5SrLa2Fe4O15,-7.5151122819,-2.7285642125000003,0.0,-0.0154442685,GGA+U,Cc,A5B4C2D15E_mC108_9_5a_4a_2a_15a_a:Ba-Fe-La-O-Sr,54.0,"Invalid WP multiplicities - A5B4C2D15E_mC108_9_8a_7a_4a_30a_a:Ba-Fe-La-O-Sr, expected Ba8SrLa4Fe7O30 to be Ba5SrLa2Fe4O15" +mp-1651542,Ba4Sr(FeO3)5,-7.1914874204,-2.1548542231,0.0108480223,0.0108480223,GGA+U,I4mm,A4B5C15D_tI100_107_4b_10a_10a5c_b:Ba-Fe-O-Sr,50.0,"Invalid WP multiplicities - A4B5C15D_tI100_107_4b_10a_10a9c_b:Ba-Fe-O-Sr, expected Ba4SrFe5O23 to be Ba4Sr(FeO3)5" +mp-1228328,Ba4Sr(FeO3)5,-7.1938114508,-2.1571782535,0.0085239919,0.0085239919,GGA+U,P4/mmm,A4B5C15D_tP25_123_2h_b2g_ae2g2i_c:Ba-Fe-O-Sr,25.0,"Invalid WP multiplicities - A4B5C15D_tP25_123_3h_b3g_a2e3g6i_c:Ba-Fe-O-Sr, expected Ba6Sr(FeO5)7 to be Ba4Sr(FeO3)5" +mp-1666361,Ba4Sr(FeO3)5,-7.1915725404,-2.1549393431,0.0107629023,0.0107629023,GGA+U,I4/mmm,A4B5C15D_tI100_139_2g_ab4e_5eh2m_d:Ba-Fe-O-Sr,50.0,"Invalid WP multiplicities - A4B5C15D_tI100_139_2g_ab7e_9eh2m_d:Ba-Fe-O-Sr, expected Ba4SrFe8O19 to be Ba4Sr(FeO3)5" +mp-1228024,BaSr(FeO2)4,-7.6045021482,-2.1000690823,0.0194449758,0.0194449758,GGA+U,Cmc2_1,AB4C8D_oC56_36_a_2b_2a3b_a:Ba-Fe-O-Sr,28.0,AB4C8D_oC56_36_a_2b_2a3b_a:Ba-Fe-O-Sr +mp-22427,BaSr(FeO2)4,-7.6005093114,-2.0960762455,0.0234378126,0.0234378126,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Fe-O-Sr,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Fe-O-Sr +mp-554814,BaSr(FeO2)4,-7.1319782579,-1.6275451919,0.4919688662,0.4919688662,GGA+U,P-6m2,AB4C8D_hP14_187_a_hi_cfn_b:Ba-Fe-O-Sr,14.0,"Invalid WP multiplicities - AB4C8D_hP14_187_a_hi_cf2n_b:Ba-Fe-O-Sr, expected BaSr(Fe2O7)2 to be BaSr(FeO2)4" +mp-1518522,BaSr(FeO3)4,-6.8349195583,-1.4544296823,0.2389158882,0.2389158882,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Fe-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Fe-O-Sr, expected BaSr(FeO4)4 to be BaSr(FeO3)4" +mp-1099685,BaSr7(FeO3)8,-7.2163505633,-2.2106973667,0.0044747472,0.0044747472,GGA+U,Pm-3m,AB8C24D7_cP40_221_a_g_ij_bcd:Ba-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB8C24D7_cP40_221_a_g_6i6j_b3c3d:Ba-Fe-O-Sr, expected BaSr19(FeO18)8 to be BaSr7(FeO3)8" +mp-1076090,BaSr7(Fe2O5)4,-7.3681645575,-2.3559597514,0.0083732843,0.0083732843,GGA+U,P1,AB8C20D7_aP144_1_4a_32a_80a_28a:Ba-Fe-O-Sr,144.0,AB8C20D7_aP144_1_4a_32a_80a_28a:Ba-Fe-O-Sr +mp-1227721,BaSr4(FeO2)5,-7.2821551587,-2.257458063,0.0287813946,0.0287813946,GGA+U,P2/m,AB5C10D4_mP20_10_b_d2m_ce2m2n_2n:Ba-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB5C10D4_mP20_10_c_2e4n_bd2m2n_2m:Ba-Fe-O-Sr, expected BaSr4(FeO)10 to be BaSr4(FeO2)5" +mp-1227731,BaSr4(FeO2)5,-7.272757574,-2.2480604782,0.0381789794,0.0381789794,GGA+U,P4/mmm,AB5C10D4_tP20_123_a_d2h_e2i_2g:Ba-Fe-O-Sr,20.0,"Invalid WP multiplicities - AB5C10D4_tP20_123_a_d3h_2e6i_3g:Ba-Fe-O-Sr, expected BaSr6(FeO4)7 to be BaSr4(FeO2)5" +mp-1227727,BaSr4(FeO3)5,-7.2148364692,-2.2057410503,0.0039344115,0.0039344115,GGA+U,Cmmm,AB5C15D4_oC50_65_a_c2h_bf2g2q_2g:Ba-Fe-O-Sr,25.0,"Invalid WP multiplicities - AB5C15D4_oC50_65_a_c3h_b2f3g5q_3g:Ba-Fe-O-Sr, expected BaSr6Fe7O31 to be BaSr4(FeO3)5" +mp-1643334,BaSr4(FeO3)5,-7.2118966478,-2.2028012289,0.0068742329,0.0068742329,GGA+U,Immm,AB5C15D4_oI100_71_f_ab2g2h_e5l2n_2n:Ba-Fe-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_oI100_71_f_ab2g4h_e11l2n_2n:Ba-Fe-O-Sr, expected BaSr4Fe7O27 to be BaSr4(FeO3)5" +mp-1666600,BaSr4(FeO3)5,-7.2140211386,-2.2049257197,0.0047497421,0.0047497421,GGA+U,P4mm,AB5C15D4_tP25_99_a_5b_5b5c_4a:Ba-Fe-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_tP25_99_a_6b_5b9c_4a:Ba-Fe-O-Sr, expected BaSr4Fe6O23 to be BaSr4(FeO3)5" +mp-1227739,BaSr4(FeO3)5,-7.2150989176,-2.2060034987,0.0036719631,0.0036719631,GGA+U,P4/mmm,AB5C15D4_tP25_123_c_b2g_ae2g2i_2h:Ba-Fe-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_tP25_123_c_2b4g_ae2g2i_2h:Ba-Fe-O-Sr, expected BaSr4(Fe2O3)5 to be BaSr4(FeO3)5" +mp-1517079,Ba2SrFeO6,-6.6450006912,-2.2772410102,0.0914100735,0.0914100735,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Fe-O-Sr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Fe-O-Sr +mp-1516973,Ba2SrFeO6,-6.655252603,-2.2874929219,0.0811581617,0.0811581617,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Sr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Sr +mp-720103,Ba4La6Mn(Co3O10)3,-7.5208018622,-2.3442122787,0.1650313597,0.1650313597,GGA+U,P4/mmm,A4B9C6DE30_tP50_123_i_a2g2h_ei_c_bd2g2hj2r:Ba-Co-La-Mn-O,50.0,"Invalid WP multiplicities - A4B9C6DE30_tP50_123_i_a3g3h_ei_c_bd4g2h4j11r:Ba-Co-La-Mn-O, expected Ba4La6MnCo13O118 to be Ba4La6Mn(Co3O10)3" +mp-694945,Ba3La7Mn2(Co4O15)2,-7.7418270548,-2.4638228781,0.2249891625,0.2249891625,GGA+U,P2/m,A3B8C7D2E30_mP50_10_am_4n_c3m_n_eh5m9n:Ba-Co-La-Mn-O,50.0,"Invalid WP multiplicities - A3B8C7D2E30_mP50_10_am_7n_c6m_n_eh9m17n:Ba-Co-La-Mn-O, expected Ba3La13Mn2(Co7O27)2 to be Ba3La7Mn2(Co4O15)2" +mp-704461,Ba3La7Mn(Co3O10)3,-7.6536391382,-2.4167089114,0.1477415396,0.1477415396,GGA+U,P2/m,A3B9C7DE30_mP50_10_bm_c2m2n_gm2n_e_ah2m2n5o:Ba-Co-La-Mn-O,50.0,"Invalid WP multiplicities - A3B9C7DE30_mP50_10_bm_c3m3n_d2m4n_h_ae4m4n10o:Ba-Co-La-Mn-O, expected Ba3La13MnCo13O58 to be Ba3La7Mn(Co3O10)3" +mp-1222343,LiZnFeO3,-6.2365720833000005,-1.8234464466,0.0707805696,0.0707805696,GGA+U,Imm2,ABC3D_oI12_44_a_a_3b_a:Fe-Li-O-Zn,6.0,ABC3D_oI12_44_a_a_3b_a:Fe-Li-O-Zn +mp-1222267,LuZnFeO4,-7.4157530029,-2.5532572621,0.0487105719,0.0487105719,GGA+U,R3m,ABC4D_hR21_160_a_a_4a_a:Fe-Lu-O-Zn,7.0,ABC4D_hR21_160_a_a_4a_a:Fe-Lu-O-Zn +mp-1222463,LuZn4FeO7,-6.2407246588,-2.1902041089,0.0377179214,0.0377179214,GGA+U,P6_3/mmc,ABC7D4_hP26_194_c_a_be2f_ef:Fe-Lu-O-Zn,26.0,ABC7D4_hP26_194_c_a_be2f_ef:Fe-Lu-O-Zn +mp-1235383,LiLuZnFeO4,-6.9302139787,-2.4369148473,0.0832674932,0.0832674932,GGA+U,Cm,ABCD4E_mC16_8_a_a_a_4a_a:Fe-Li-Lu-O-Zn,8.0,ABCD4E_mC16_8_a_a_a_4a_a:Fe-Li-Lu-O-Zn +mp-1235493,LiLuZnFeO4,-6.8331589,-2.3398597685,0.1803225719,0.1803225719,GGA+U,R3m,ABCD4E_hR24_160_a_a_a_4a_a:Fe-Li-Lu-O-Zn,8.0,ABCD4E_hR24_160_a_a_a_4a_a:Fe-Li-Lu-O-Zn +mp-771267,LiZnFe7O12,-7.4969663102,-1.6960577635,0.069709352,0.069709352,GGA+U,Cm,A7BC12D_mC84_8_8a3b_2a_12a6b_2a:Fe-Li-O-Zn,42.0,"Invalid WP multiplicities - A7BC12D_mC84_8_8a5b_2a_12a12b_2a:Fe-Li-O-Zn, expected LiZn(FeO2)9 to be LiZnFe7O12" +mp-755444,LiZn(FeO2)4,-7.1493614929,-1.6763428495,0.0590101492,0.0590101492,GGA+U,R3m,A4BC8D_hR42_160_ab_a_2a2b_a:Fe-Li-O-Zn,14.0,"Invalid WP multiplicities - A4BC8D_hR42_160_ab_a_2a3b_a:Fe-Li-O-Zn, expected LiZnFe4O11 to be LiZn(FeO2)4" +mp-771993,LiZn2Fe9O16,-7.398755835,-1.6914122508,0.0693513199,0.0693513199,GGA+U,Cm,A9BC16D2_mC112_8_10a4b_2a_16a8b_4a:Fe-Li-O-Zn,56.0,"Invalid WP multiplicities - A9BC16D2_mC112_8_10a6b_2a_16a13b_4a:Fe-Li-O-Zn, expected LiZn2Fe11O21 to be LiZn2Fe9O16" +mp-773576,LiZn2Fe9O16,-7.3910160321,-1.683672448,0.0770911228,0.0770911228,GGA+U,Cm,A9BC16D2_mC56_8_5a2b_a_8a4b_2a:Fe-Li-O-Zn,28.0,A9BC16D2_mC56_8_5a2b_a_8a4b_2a:Fe-Li-O-Zn +mp-1235171,LiZn2(FeO2)4,-6.7564371487,-1.5643035076,0.2056927405,0.2056927405,GGA+U,C2/m,A4BC8D2_mC30_12_ei_b_2ij_ac:Fe-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_fi_b_3i2j_ac:Fe-Li-O-Zn, expected LiZn2(Fe2O7)2 to be LiZn2(FeO2)4" +mp-1236231,LiZn2(FeO2)4,-6.7877107993,-1.5955771582,0.1744190898,0.1744190898,GGA+U,C2/m,A4BC8D2_mC30_12_aci_b_2ij_e:Fe-Li-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bci_a_4ij_e:Fe-Li-O-Zn, expected LiZn2(FeO3)4 to be LiZn2(FeO2)4" +mp-1235023,LiZn2(FeO2)4,-6.8072821673,-1.6151485262,0.1548477218,0.1548477218,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn +mp-1235225,LiZn2(FeO2)4,-6.745667936,-1.5535342949,0.2164619532,0.2164619532,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn +mp-1236067,LiZn2(FeO2)4,-6.6201266607,-1.4279930196,0.3420032285,0.3420032285,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Li-O-Zn +mp-771170,Li3Zn2Fe19O32,-7.5472197513,-1.6995287232,0.0687401647,0.0687401647,GGA+U,P1,A19B3C32D2_aP56_1_19a_3a_32a_2a:Fe-Li-O-Zn,56.0,"Invalid WP multiplicities - A19B3C32D2_mC112_8_11a6b_3a_16a14b_2a:Fe-Li-O-Zn, expected Li3Zn2Fe23O44 to be Li3Zn2Fe19O32" +mp-1177501,Li3Zn2Fe19O32,-7.5507173232,-1.7030262952,0.0652425927,0.0652425927,GGA+U,Cm,A19B3C32D2_mC112_8_11a4b_3a_16a8b_2a:Fe-Li-O-Zn,56.0,"Invalid WP multiplicities - A19B3C32D2_mC112_8_11a6b_3a_16a14b_2a:Fe-Li-O-Zn, expected Li3Zn2Fe23O44 to be Li3Zn2Fe19O32" +mp-769606,LiZn4Fe13O24,-7.2851709798,-1.6713923582,0.0843676678,0.0843676678,GGA+U,Cm,A13BC24D4_mC84_8_7a3b_a_12a6b_4a:Fe-Li-O-Zn,42.0,"Invalid WP multiplicities - A13BC24D4_mC84_8_7a6b_a_12a12b_4a:Fe-Li-O-Zn, expected LiZn4Fe19O36 to be LiZn4Fe13O24" +mp-756921,LiZn(Fe5O8)2,-7.6188075182,-1.6539540198,0.0818530812,0.0818530812,GGA+U,R3m,A10BC16D_hR84_160_4a2b_a_4a4b_a:Fe-Li-O-Zn,28.0,"Invalid WP multiplicities - A10BC16D_hR84_160_4a3b_a_4a5b_a:Fe-Li-O-Zn, expected LiZnFe13O19 to be LiZn(Fe5O8)2" +mp-771780,Li3Zn(Fe5O8)4,-7.66293949,-1.6864935048,0.0692971482,0.0692971482,GGA+U,Cm,A20B3C32D_mC112_8_6a7b_ab_8a12b_a:Fe-Li-O-Zn,56.0,"Invalid WP multiplicities - A20B3C32D_mC112_8_6a14b_a2b_8a24b_a:Fe-Li-O-Zn, expected Li5Zn(Fe17O28)2 to be Li3Zn(Fe5O8)4" +mp-771348,LiZn6Fe17O32,-7.2288862764,-1.6618901361,0.0913681175,0.0913681175,GGA+U,Cm,A17BC32D6_mC112_8_9a4b_a_16a8b_6a:Fe-Li-O-Zn,56.0,"Invalid WP multiplicities - A17BC32D6_mC112_8_9a4b_a_16a9b_6a:Fe-Li-O-Zn, expected LiZn6(FeO2)17 to be LiZn6Fe17O32" +mp-1227230,CaDyAl4,-4.0006769983,-0.4015619917,0.0232221625,0.0232221625,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-Dy,6.0,A4BC_cF24_216_e_a_c:Al-Ca-Dy +mp-1045601,AlFe3Se2ClO8,-6.7582164227,-1.5869158383,0.1646668173,0.1646668173,GGA+U,P-1,ABC3D8E2_aP30_2_i_i_abdfi_8i_2i:Al-Cl-Fe-O-Se,30.0,"Invalid WP multiplicities - ABC3D8E2_aP30_2_i_i_abdfi_15i_2i:Al-Cl-Fe-O-Se, expected AlFe3Se2ClO15 to be AlFe3Se2ClO8" +mp-1208323,Ti5CuBi3,-6.3036575372,-0.1816426324,0.0,-0.0099447672,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Ti,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-Ti +mp-1217434,Ti12Cu9(BiO18)2,-7.8918401027,-2.5121699994,0.0580419603,0.0580419603,GGA,P-3,A2B9C36D12_hP59_147_d_fg_6g_adeg:Bi-Cu-O-Ti,59.0,"Invalid WP multiplicities - A2B9C36D12_hP59_147_d_3f3g_32g_ad3e4g:Bi-Cu-O-Ti, expected Ti36Cu27(BiO96)2 to be Ti12Cu9(BiO18)2" +mp-1210081,NaTi8Cu6BiO24,-7.8118808045,-2.5208128133,0.0536576188,0.0536576188,GGA,Pm-3,AB6CD24E8_cP40_200_a_cd_b_jk_i:Bi-Cu-Na-O-Ti,40.0,AB6CD24E8_cP40_200_a_cd_b_jk_i:Bi-Cu-Na-O-Ti +mp-1210001,NaTi4(CuO4)3,-7.747351128,-2.5192322327000003,0.0419968768,0.0419968768,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-Ti,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-Ti +mp-1188660,Ba2LuIrO6,-7.503409994,-2.8156633093,0.001868727,-0.069713815,GGA,P4/mnc,A2BCD6_tP20_128_d_a_b_eh:Ba-Ir-Lu-O,20.0,A2BCD6_tP20_128_d_a_b_eh:Ba-Ir-Lu-O +mp-22594,Ba2LuIrO6,-7.505278721,-2.8175320363000003,0.0,-0.071582542,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-Lu-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-Lu-O +mp-1228300,Ba3LuIrRuO9,-7.477701595,-2.6169742309,0.0,-0.0029785978,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_b_a_3c_b:Ba-Ir-Lu-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_b_a_5c_b:Ba-Ir-Lu-O-Ru, expected Ba5LuIrRuO15 to be Ba3LuIrRuO9" +mp-6145,Ba2LuRuO6,-7.619908672,-2.8885651512,0.0,-0.0696001864,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Ru,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Ru +mp-555246,Ba3LuRu2O9,-7.551579199,-2.6617872776,0.0,-0.0064163812,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Lu-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_194_bf_a_2h2k_f:Ba-Lu-O-Ru, expected Ba3Lu(RuO9)2 to be Ba3LuRu2O9" +mp-556674,Ba3LuIr2O9,-7.3978667953,-2.5662039886,0.0,-0.0132230328,GGA,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Lu-O,30.0,"Invalid WP multiplicities - A3B2CD9_hP30_194_2b2f_f_a_6h6k:Ba-Ir-Lu-O, expected Ba6Lu(IrO27)2 to be Ba3LuIr2O9" +mp-865321,Lu2IrRu,-7.565717,-0.77703256,0.0,-0.0365889175,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Lu-Ru,4.0,AB2C_cF16_225_a_c_b:Ir-Lu-Ru +mp-1518458,BaSrCeNiO6,-7.137184219,-2.6370015694,0.0857351905,0.0857351905,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Ni-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Ni-O-Sr +mp-1517357,Sr2CeNiO6,-7.126067292,-2.6488327911000003,0.072029789,0.072029789,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Ni-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Ni-O-Sr +mp-1517202,LaEu2NbO6,-9.8568071722,-3.333662371,0.1019500755,0.1019500755,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Eu-La-Nb-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Eu-La-Nb-O +mp-1517095,LaEu2NbO6,-9.737475309,-3.2143305078,0.2212819387,0.2212819387,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-La-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-La-Nb-O +mp-1519994,SrLaEuNbO6,-9.07346147,-3.4070675034,0.0296718987,0.0296718987,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Eu-La-Nb-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Eu-La-Nb-O-Sr, expected SrLaEuNbO12 to be SrLaEuNbO6" +mp-1519835,SrLaEuNbO6,-9.010783778,-3.3443898114,0.0923495907,0.0923495907,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Eu-La-Nb-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Eu-La-Nb-O-Sr +mp-1519952,SrLaEuNbO6,-9.0056313175,-3.3392373509,0.0975020512,0.0975020512,GGA,P42_12,ABCD6E_tP20_90_a_c_c_2cg_b:Eu-La-Nb-O-Sr,20.0,ABCD6E_tP20_90_a_c_c_2cg_b:Eu-La-Nb-O-Sr +mp-1519929,SrLaEuNbO6,-8.911103941,-3.2447099744,0.1920294277,0.1920294277,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-La-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-La-Nb-O-Sr +mp-1208845,Sr2HoBiO6,-7.0188652365,-2.8706635191,0.0,-0.0555275936,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Ho-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Ho-O-Sr +mp-17734,SrHo2CuO5,-7.5121268392,-3.1024644592,0.0628797579,0.0628797579,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Cu-Ho-O-Sr,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Cu-Ho-O-Sr, expected SrHo4CuO5 to be SrHo2CuO5" +mp-1208840,Sr2HoCu2(BiO4)2,-6.395984534,-2.1683647296,0.1152107453,0.1152107453,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Ho-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Ho-O-Sr +mp-1522238,NaPrEuNiO6,-7.141765749,-1.9596955694,0.3126581253,0.3126581253,GGA+U,P-4n2,ABCD6E_tP20_118_c_a_b_ei_d:Eu-Na-Ni-O-Pr,20.0,ABCD6E_tP20_118_c_a_b_ei_d:Eu-Na-Ni-O-Pr +mp-6167,Ba2NdNbO6,-8.213877411,-3.375123949,0.0,-0.0113875889,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-Nb-Nd-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-Nb-Nd-O +mp-1518033,Ba2NdNbO6,-8.201882715,-3.363129253,0.011994696,0.0006071071,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Nb-Nd-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Nb-Nd-O +mp-12637,Ba2NdNbO6,-8.198297198,-3.359543736,0.015580213,0.0041926241,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Nb-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Nb-Nd-O +mp-1518054,BaNdNb4O12,-9.0918816039,-3.1778478779,0.0859336594,0.0859336594,GGA,Cmmm,AB4CD12_oC36_65_a_m_c_efno:Ba-Nb-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_65_a_m_c_2e2fno:Ba-Nb-Nd-O, expected BaNdNb4O16 to be BaNdNb4O12" +mp-1518460,BaNdEuNbO6,-9.0298611605,-3.3573050125,0.0424128212,0.0424128212,GGA,P-1,ABCDE6_aP20_2_i_i_ah_be_6i:Ba-Eu-Nb-Nd-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_i_ah_be_12i:Ba-Eu-Nb-Nd-O, expected BaNdEuNbO12 to be BaNdEuNbO6" +mp-1518383,BaNdEuNbO6,-8.960487464,-3.287931316,0.1117865177,0.1117865177,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Nb-Nd-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Nb-Nd-O +mp-557737,Al2BiS4,-5.1585304864,-1.1760390211,0.0,-0.0477494798,GGA,P4/nnc,A2BC4_tP28_126_cd_e_k:Al-Bi-S,28.0,"Invalid WP multiplicities - A2BC4_tP28_126_3c3d_e_k:Al-Bi-S, expected Al6BiS4 to be Al2BiS4" +mp-561350,AlBiSCl4,-4.3185245746,-1.5875729365,0.0,-0.0228638268,GGA,I-4,ABC4D_tI56_82_g_g_4g_g:Al-Bi-Cl-S,28.0,"Invalid WP multiplicities - ABC4D_tI56_82_g_g_11g_g:Al-Bi-Cl-S, expected AlBiSCl11 to be AlBiSCl4" +mp-558368,AgBi2S3Cl,-4.2621623614,-0.7233880009,0.0078617631,0.0078617631,GGA,P2_1/m,AB2CD3_mP14_11_e_2e_e_3e:Ag-Bi-Cl-S,14.0,"Invalid WP multiplicities - AB2CD3_mP14_11_e_2e_e_4e:Ag-Bi-Cl-S, expected AgBi2S4Cl to be AgBi2S3Cl" +mp-1194539,Al2Ag2Bi2S3Cl8,-4.1803907218,-1.3548092625,0.0,-0.0072435265,GGA,P-62c,A2B2C2D8E3_hP34_190_bc_f_f_fi_h:Ag-Al-Bi-Cl-S,34.0,A2B2C2D8E3_hP34_190_bc_f_f_fi_h:Ag-Al-Bi-Cl-S +mp-559071,Ag2Bi2S3Cl2,-4.0344361275,-0.7619346622000001,0.0005119586,0.0005119586,GGA,P-1,A2B2C2D3_aP36_2_4i_4i_4i_6i:Ag-Bi-Cl-S,36.0,"Invalid WP multiplicities - A2B2C2D3_aP36_2_6i_6i_8i_12i:Ag-Bi-Cl-S, expected Ag3Bi3(S3Cl2)2 to be Ag2Bi2S3Cl2" +mp-556094,AgBiSCl2,-3.859084348,-0.957770684,0.0,-0.018820845,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:Ag-Bi-Cl-S,10.0,ABC2D_oC20_63_a_c_f_c:Ag-Bi-Cl-S +mp-1248289,Al4(BiS4)3,-4.8203369761,-0.8129070228,0.1909963953,0.1909963953,GGA,Ccce,A4B3C12_oC152_68_4h_3g_6i:Al-Bi-S,76.0,"Invalid WP multiplicities - A4B3C12_oC152_68_14h_11g_45i:Al-Bi-S, expected Al14Bi11S90 to be Al4(BiS4)3" +mp-1215010,AlBiS,-3.9203525725,-0.0128476302,0.7417880394,0.7417880394,GGA,I4/mcm,ABC_tI24_140_e_h_h:Al-Bi-S,,ABC_tI24_140_e_h_h:Al-Bi-S +mp-1248520,Al5(BiS4)3,-4.9689264962,-0.9745892491,0.1232946758,0.1232946758,GGA,Ccc2,A5B3C12_oC160_37_5a5b_6c_12d:Al-Bi-S,80.0,"Invalid WP multiplicities - A5B3C12_oC160_37_10a10b_11c_46d:Al-Bi-S, expected Al20Bi11S92 to be Al5(BiS4)3" +mp-1365819,Al5(BiS4)3,-4.9112024909,-0.9168652438,0.1810186812,0.1810186812,GGA,P-42c,A5B3C12_tP80_112_af2k2l_3m_6n:Al-Bi-S,80.0,"Invalid WP multiplicities - A5B3C12_tP80_112_2a2f5k3l_11m_46n:Al-Bi-S, expected Al10Bi11S92 to be Al5(BiS4)3" +mp-1223254,LaMg2TaO6,-8.1667436115,-3.1992959013,0.2514442542,0.2514442542,GGA,Imma,AB2C6D_oI40_74_a_cd_2ej_b:La-Mg-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_oI40_74_a_cd_4e2j_b:La-Mg-O-Ta, expected LaMg2TaO12 to be LaMg2TaO6" +mp-1223326,La3Mg2TaO9,-8.5645682195,-3.6054643898,0.0155753582,0.0155753582,GGA,P2_1/c,A3B2C9D_mP60_14_3e_abe_9e_e:La-Mg-O-Ta,60.0,"Invalid WP multiplicities - A3B2C9D_mP60_14_11e_2ab3e_33e_e:La-Mg-O-Ta, expected La22Mg9Ta2O66 to be La3Mg2TaO9" +mp-1103508,Sr3MgTa2O9,-8.42866071,-3.4350264386,0.0,-0.0289537041,GGA,P-3m1,AB9C3D2_hP15_164_b_ei_ad_d:Mg-O-Sr-Ta,15.0,AB9C3D2_hP15_164_b_ei_ad_d:Mg-O-Sr-Ta +mp-1218203,SrLaMgTaO6,-8.511517637,-3.5351485864,0.0,-0.0071154932,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mg-O-Sr-Ta,20.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mg-O-Sr-Ta +mp-1518397,BaLiHfBiO6,-7.312297257,-2.5817264336,0.1349982529,0.1349982529,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Hf-Li-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Hf-Li-O +mp-1219095,SmBiRu2O7,-7.6676409255,-2.0553953506,0.0030884915,0.0030884915,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Bi-O-Ru-Sm,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e4j_bc_d:Bi-O-Ru-Sm, expected SmBiRu2O21 to be SmBiRu2O7" +mp-1219094,SmBi3(Ru2O7)2,-7.3793869836,-1.807054909,0.0039015735,0.0039015735,GGA,R-3m,A3B14C4D_hR66_166_d_c2h_be_a:Bi-O-Ru-Sm,22.0,"Invalid WP multiplicities - A3B14C4D_hR66_166_d_c4h_be_a:Bi-O-Ru-Sm, expected SmBi3(Ru2O13)2 to be SmBi3(Ru2O7)2" +mp-1234754,Sm3MgBi(Ru2O7)2,-7.6987366326,-2.2227462108,0.1531881717,0.1531881717,GGA,Cm,ABC14D4E3_mC46_8_a_a_6a4b_2ab_ab:Bi-Mg-O-Ru-Sm,23.0,ABC14D4E3_mC46_8_a_a_6a4b_2ab_ab:Bi-Mg-O-Ru-Sm +mp-1234253,Sm3MgBi(Ru2O7)2,-7.7385315726,-2.2625411508,0.1133932317,0.1133932317,GGA,R3m,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Mg-O-Ru-Sm,23.0,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Mg-O-Ru-Sm +mp-1234862,Sm3MgBi(Ru2O7)2,-7.7023738052,-2.2263833834,0.1495509991,0.1495509991,GGA,R3m,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Mg-O-Ru-Sm,23.0,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Mg-O-Ru-Sm +mp-1208945,Sm4MgRu,-5.1622470688,-0.2040758804,0.0,-0.0119324592,GGA,F-43m,ABC4_cF96_216_e_e_efg:Mg-Ru-Sm,24.0,ABC4_cF96_216_e_e_efg:Mg-Ru-Sm +mp-1219209,Sm3Bi(Ru2O7)2,-7.9581702768,-2.3060112017,0.0,-0.001655754,GGA,R-3m,AB14C4D3_hR66_166_a_c2h_be_d:Bi-O-Ru-Sm,22.0,"Invalid WP multiplicities - AB14C4D3_hR66_166_a_c4h_be_d:Bi-O-Ru-Sm, expected Sm3Bi(Ru2O13)2 to be Sm3Bi(Ru2O7)2" +mp-2218573,Sm2Mg(BiO4)2,-6.9785702308,-2.4945748254,0.164969534,0.164969534,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Bi-Mg-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:Bi-Mg-O-Sm, expected Sm2Mg(BiO6)2 to be Sm2Mg(BiO4)2" +mp-2224811,Sm2Mg(BiO4)2,-6.9967820823,-2.5127866769,0.1467576825,0.1467576825,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Bi-Mg-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:Bi-Mg-O-Sm, expected Sm2Mg(BiO6)2 to be Sm2Mg(BiO4)2" +mp-1068021,Sm(MgBi)2,-3.551531644,-0.431506745,0.0566746189,0.0566746189,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Bi-Mg-Sm,5.0,A2B2C_hP5_164_d_d_a:Bi-Mg-Sm +mp-972493,Sm2MgRu,-5.19438647,-0.116422755,0.0986503473,0.0986503473,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Mg-Ru-Sm +mp-1191783,Sm2Ga2(Fe5C)3,-7.8433905159,-0.1056778367,0.0286171827,0.0286171827,GGA,R-3m,A3B15C2D2_hR66_166_e_dfh_c_c:C-Fe-Ga-Sm,22.0,A3B15C2D2_hR66_166_e_dfh_c_c:C-Fe-Ga-Sm +mp-1188192,Sm2Mn2Fe15,-8.0889805032,0.0589942865,0.0589942865,0.0589942865,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Fe-Mn-Sm,19.0,A15B2C2_hR57_166_dfh_c_c:Fe-Mn-Sm +mp-1219425,Sm2Ga3(Fe7C)2,-7.5241115395,-0.116535908,0.0516175993,0.0516175993,GGA,C2/m,A2B14C3D2_mC42_12_e_h2i2j_af_i:C-Fe-Ga-Sm,21.0,"Invalid WP multiplicities - A2B14C3D2_mC42_12_f_2h3i3j_ae_i:C-Fe-Ga-Sm, expected Sm2Ga3(Fe11C)2 to be Sm2Ga3(Fe7C)2" +mp-1219379,Sm2Ga2Fe15C,-7.64440396,-0.0557865621,0.0814830316,0.0814830316,GGA,C2/m,AB15C2D2_mC40_12_a_degi2j_i_i:C-Fe-Ga-Sm,20.0,"Invalid WP multiplicities - AB15C2D2_mC40_12_a_df2g2i3j_i_i:C-Fe-Ga-Sm, expected Sm2Ga2Fe23C to be Sm2Ga2Fe15C" +mp-1219405,Sm2Mn2Ga2Fe13C,-7.520329619,0.1374871871,0.2780467896,0.2780467896,GGA,C2/m,AB13C2D2E2_mC40_12_a_dgi2j_i_e_i:C-Fe-Ga-Mn-Sm,20.0,"Invalid WP multiplicities - AB13C2D2E2_mC40_12_a_c2g2i3j_i_f_i:C-Fe-Ga-Mn-Sm, expected Sm2Mn2Ga2Fe21C to be Sm2Mn2Ga2Fe13C" +mp-1219412,Sm2Ga2Fe15C2,-7.5194620076,0.1472529186,0.2879429389,0.2879429389,GGA,Cm,A2B15C2D2_mC42_8_b_5a5b_b_2a:C-Fe-Ga-Sm,21.0,"Invalid WP multiplicities - A2B15C2D2_mC42_8_b_5a8b_b_2a:C-Fe-Ga-Sm, expected Sm2Ga2Fe21C2 to be Sm2Ga2Fe15C2" +mp-10602,Sm3GaC,-5.59850173,-0.315997746,0.022991253,0.022991253,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ga-Sm,5.0,ABC3_cP5_221_b_a_c:C-Ga-Sm +mp-1518318,Eu2HfFeO6,-9.93772049,-3.0755858793,0.0438798483,0.0438798483,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-Hf-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-Hf-O +mp-1517536,SmEuHfFeO6,-9.429050442,-3.1207573978,0.1735618765,0.1735618765,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Sm,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Sm +mp-582736,Eu(MgSb)2,-5.159739332,-0.8166264560000001,0.0,-0.1490151676,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-Mg-Sb,5.0,AB2C2_hP5_164_a_d_d:Eu-Mg-Sb +mp-1521166,CaEuMgSbO6,-7.484344531,-2.7171430072,0.121297243,0.121297243,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mg-O-Sb,,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mg-O-Sb +mp-1228067,Ba2ZrSnO6,-7.747614924,-3.1400794608,0.0,-0.025997464,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-Zr +mp-1522474,Sr2ZrSnO6,-7.687482367,-3.1258432011,0.0250158355,0.0250158355,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Zr,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Zr +mp-1519541,SrZr2SnO6,-8.38978889,-3.1423290064,0.1632318976,0.1632318976,GGA,P4/mmm,A6BCD2_tP10_123_abi_c_d_g:O-Sn-Sr-Zr,10.0,"Invalid WP multiplicities - A6BCD2_tP10_123_ab2i_c_d_g:O-Sn-Sr-Zr, expected SrZr2SnO10 to be SrZr2SnO6" +mp-1519544,SrZr2SnO6,-8.437776529,-3.1903166454,0.1152442585,0.1152442585,GGA,Cmmm,A6BCD2_oC20_65_ehj_a_b_f:O-Sn-Sr-Zr,10.0,A6BCD2_oC20_65_ehj_a_b_f:O-Sn-Sr-Zr +mp-1521649,BaZr2SnO6,-8.434283933,-3.1638759007,0.126497767,0.126497767,GGA,Cmmm,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sn-Zr,10.0,AB6CD2_oC20_65_a_ehj_b_f:Ba-O-Sn-Zr +mp-1521703,BaZr2SnO6,-8.426395032,-3.1559869998,0.134386668,0.134386668,GGA,P4/mmm,AB6CD2_tP10_123_c_abi_d_g:Ba-O-Sn-Zr,10.0,AB6CD2_tP10_123_c_abi_d_g:Ba-O-Sn-Zr +mp-1521841,BaZr2SnO6,-8.4251436427,-3.1547356105,0.1356380573,0.1356380573,GGA,P4_2/mmc,AB6CD2_tP40_131_ac_opq_bd_n:Ba-O-Sn-Zr,40.0,"Invalid WP multiplicities - AB6CD2_tP40_131_ac_5o5pq_2b2d_n:Ba-O-Sn-Zr, expected BaZr2(SnO11)2 to be BaZr2SnO6" +mp-1521791,BaZr2SnO6,-8.4258096732,-3.155401641,0.1349720268,0.1349720268,GGA,Pm-3m,AB6CD2_cP40_221_ad_ij_bc_g:Ba-O-Sn-Zr,40.0,"Invalid WP multiplicities - AB6CD2_cP40_221_ad_7i7j_bc_g:Ba-O-Sn-Zr, expected BaZr2SnO42 to be BaZr2SnO6" +mp-1519570,SrZr4SnO12,-8.5702258506,-3.0563296081,0.224862108,0.224862108,GGA,Amm2,A12BCD4_oC36_38_2cdef_a_b_f:O-Sn-Sr-Zr,18.0,"Invalid WP multiplicities - A12BCD4_oC36_38_3c2d2ef_a_b_f:O-Sn-Sr-Zr, expected SrZr4SnO18 to be SrZr4SnO12" +mp-1521719,BaZr4SnO12,-8.5412942433,-3.0146490294,0.2583945866,0.2583945866,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ba-O-Sn-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ba-O-Sn-Zr, expected BaZr4SnO18 to be BaZr4SnO12" +mp-1516294,BaSrZrSnO6,-7.713876204,-3.1292888894,0.0161803592,0.0161803592,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sn-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sn-Sr-Zr +mp-1518776,NaTbMn4O12,-7.3321204239,-1.6673861407,0.3134747303,0.3134747303,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Mn-Na-O-Tb,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Mn-Na-O-Tb, expected NaTbMn4O16 to be NaTbMn4O12" +mp-1523204,NaSrTbMnO6,-7.029572998,-2.3807197574,0.1496341801,0.1496341801,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sr-Tb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sr-Tb +mp-1517681,SrNbCrSnO6,-8.133695192,-2.6203401834,0.1135047,0.1135047,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Cr-Nb-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Cr-Nb-O-Sn-Sr +mp-1517880,NbCr(SnO3)2,-7.88733426,-2.1419714113,0.175117182,0.175117182,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Nb-O-Sn,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Nb-O-Sn +mp-1034854,BaMg14NiO16,-6.153542075,-2.7394779594000003,0.1882299678,0.1882299678,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ba-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ba-Mg-Ni-O, expected BaMg18NiO20 to be BaMg14NiO16" +mp-1034838,BaMg14NiO16,-6.1517047722,-2.7376406566,0.1900672706,0.1900672706,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ba-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ba-Mg-Ni-O, expected BaMg30NiO32 to be BaMg14NiO16" +mp-2218666,MgNi2(MoO4)2,-7.2838526592,-1.5588247115,0.3961446352,0.3961446352,GGA+U,P1,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mo-Ni-O,13.0,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mo-Ni-O +mp-2218442,MgNi2(MoO4)2,-7.47789599,-1.7528680423,0.2021013044,0.2021013044,GGA+U,P2,AB2C2D8_mP13_3_a_ab_cd_4e:Mg-Mo-Ni-O,13.0,AB2C2D8_mP13_3_a_ad_bc_4e:Mg-Mo-Ni-O +mp-2218787,MgNi2(MoO4)2,-7.2666511215,-1.5416231738,0.4133461729,0.4133461729,GGA+U,P2,AB2C2D8_mP13_3_a_bd_ac_4e:Mg-Mo-Ni-O,13.0,AB2C2D8_mP13_3_a_bd_ac_4e:Mg-Mo-Ni-O +mp-2217752,Ba2MgNiMoO6,-6.76477264,-2.0607590957,0.5178225391,0.5178225391,GGA+U,Cm,A2BCDE6_mC22_8_2a_a_a_a_2a2b:Ba-Mg-Mo-Ni-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a4b:Ba-Mg-Mo-Ni-O, expected Ba2MgNiMoO10 to be Ba2MgNiMoO6" +mp-2218092,Ba2MgNiMoO6,-6.9149560664,-2.210942522,0.3676391127,0.3676391127,GGA+U,Immm,A2BCDE6_oI22_71_f_c_a_b_el:Ba-Mg-Mo-Ni-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_c_a_b_2e2l:Ba-Mg-Mo-Ni-O, expected Ba2MgNiMoO12 to be Ba2MgNiMoO6" +mp-2217871,Ba2MgNiMoO6,-6.8172384945,-2.1132249502,0.4653566845,0.4653566845,GGA+U,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Mg-Mo-Ni-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_6b:Ba-Mg-Mo-Ni-O, expected Ba2MgNiMoO18 to be Ba2MgNiMoO6" +mp-1031859,BaMg6NiO8,-5.8987593088,-2.3441154581,0.4572600969,0.4572600969,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ba-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ba-Mg-Ni-O, expected BaMg6NiO12 to be BaMg6NiO8" +mp-1031870,BaMg6NiO8,-5.9625600594,-2.4079162088,0.3934593462,0.3934593462,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ba-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ba-Mg-Ni-O, expected BaMg6NiO12 to be BaMg6NiO8" +mp-2227363,BaMgNiO3,-5.8628905917,-1.8396476244,0.5308950583000001,0.5308950583000001,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Ni-O,6.0,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Ni-O +mp-2228591,BaMg(NiO2)4,-6.0813925157,-1.3518702729,0.2603366181,0.2603366181,GGA+U,C2/m,ABC4D8_mC28_12_c_d_abe_2ij:Ba-Mg-Ni-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_12_a_b_cd2e_3i3j:Ba-Mg-Ni-O, expected BaMg(NiO3)6 to be BaMg(NiO2)4" +mp-2228542,BaMg(NiO2)4,-6.1114380093,-1.3819157664,0.2302911245,0.2302911245,GGA+U,R3m,ABC4D8_hR42_160_a_a_ab_2a2b:Ba-Mg-Ni-O,14.0,"Invalid WP multiplicities - ABC4D8_hR42_160_a_a_ab_2a3b:Ba-Mg-Ni-O, expected BaMgNi4O11 to be BaMg(NiO2)4" +mp-552567,Ba2NiMoO6,-7.4644024,-2.4500155062,0.0,-0.048175173,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mo-Ni-O,20.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mo-Ni-O +mp-2215845,Ba2Mg(NiO3)2,-6.1735727545,-1.9300604311,0.1905560105,0.1905560105,GGA+U,Cm,A2BC2D6_mC22_8_2a_a_2a_2a2b:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_8_2a_a_2a_2a4b:Ba-Mg-Ni-O, expected Ba2Mg(NiO5)2 to be Ba2Mg(NiO3)2" +mp-2220470,Ba2Mg(NiO3)2,-6.1669325355,-1.923420212,0.1971962295,0.1971962295,GGA+U,Cm,A2BC2D6_mC22_8_2a_a_2a_2a2b:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_8_2a_a_2a_2a4b:Ba-Mg-Ni-O, expected Ba2Mg(NiO5)2 to be Ba2Mg(NiO3)2" +mp-2217981,Ba2Mg(NiO3)2,-6.1412711991,-1.8977588757,0.2228575659,0.2228575659,GGA+U,Cm,A2BC2D6_mC22_8_2a_a_2a_2a2b:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_8_2a_a_2a_2a4b:Ba-Mg-Ni-O, expected Ba2Mg(NiO5)2 to be Ba2Mg(NiO3)2" +mp-2215935,Ba2Mg(NiO3)2,-6.19366055,-1.9501482266,0.170468215,0.170468215,GGA+U,C2/m,A2BC2D6_mC22_12_i_b_ac_ij:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_12_i_a_bc_i2j:Ba-Mg-Ni-O, expected Ba2Mg(NiO5)2 to be Ba2Mg(NiO3)2" +mp-2215831,Ba2Mg(NiO3)2,-6.0069432582,-1.7634309348,0.3571855068,0.3571855068,GGA+U,P3m1,A2BC2D6_hP11_156_ab_a_2c_2d:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_hP11_156_ab_a_2c_5d:Ba-Mg-Ni-O, expected Ba2MgNi2O15 to be Ba2Mg(NiO3)2" +mp-2217302,Ba2Mg(NiO3)2,-5.9679495845,-1.7244372611,0.3961791805,0.3961791805,GGA+U,P-6m2,A2BC2D6_hP11_187_bc_a_i_jk:Ba-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_hP11_187_bc_a_i_3j2k:Ba-Mg-Ni-O, expected Ba2MgNi2O15 to be Ba2Mg(NiO3)2" +mp-1036835,BaMg30NiO32,-6.2576646322,-2.9138903841,0.0769837292,0.0769837292,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ba-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ba-Mg-Ni-O, expected BaMg90NiO80 to be BaMg30NiO32" +mp-1036861,BaMg30NiO32,-6.2569797947,-2.9132055466,0.0776685667,0.0776685667,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ba-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ba-Mg-Ni-O, expected BaMg110NiO72 to be BaMg30NiO32" +mp-1520882,BaNaZrBiO6,-7.091793678,-2.5608114519000003,0.056540829,0.056540829,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Zr +mp-1521929,NaLaZrTiO6,-8.645480554,-3.4072948227,0.1138282972,0.1138282972,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Ti-Zr +mp-630641,Sr2FeClO3,-6.7298986796,-2.653097121,0.0,-0.0484958184,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:Cl-Fe-O-Sr,28.0,ABC3D2_tP14_129_c_c_cf_2c:Cl-Fe-O-Sr +mp-2227860,SrMgFeO3,-6.9138998567000005,-2.4805897155,0.0751420233,0.0751420233,GGA+U,Cm,ABC3D_mC12_8_a_a_3a_a:Fe-Mg-O-Sr,6.0,ABC3D_mC12_8_a_a_3a_a:Fe-Mg-O-Sr +mp-2230150,Sr4MgFe4O11,-7.0828157875,-2.2502200611,0.1913515833,0.1913515833,GGA+U,P1,A4BC11D4_aP20_1_4a_a_11a_4a:Fe-Mg-O-Sr,20.0,A4BC11D4_aP20_1_4a_a_11a_4a:Fe-Mg-O-Sr +mp-2230796,Sr4MgFe4O11,-7.070550915,-2.2379551886,0.2036164558,0.2036164558,GGA+U,P1,A4BC11D4_aP20_1_4a_a_11a_4a:Fe-Mg-O-Sr,20.0,A4BC11D4_aP20_1_4a_a_11a_4a:Fe-Mg-O-Sr +mp-2231293,Sr4MgFe4O11,-7.1298583665,-2.2972626401,0.1443090043,0.1443090043,GGA+U,Pm,A4BC11D4_mP20_6_2a2b_a_2ab4c_2a2b:Fe-Mg-O-Sr,20.0,"Invalid WP multiplicities - A4BC11D4_mP20_6_2a2b_a_2ab8c_2a2b:Fe-Mg-O-Sr, expected Sr4MgFe4O19 to be Sr4MgFe4O11" +mp-2229988,Sr4MgFe4O11,-6.997884064,-2.1652883376,0.2762833068,0.2762833068,GGA+U,P2/m,A4BC11D4_mP20_10_agn_b_fm2o_cdn:Fe-Mg-O-Sr,20.0,"Invalid WP multiplicities - A4BC11D4_mP20_10_adn_b_fm4o_cgn:Fe-Mg-O-Sr, expected Sr4MgFe4O19 to be Sr4MgFe4O11" +mp-2230058,Sr4MgFe4O11,-7.0024327545,-2.1698370281,0.2717346163,0.2717346163,GGA+U,Amm2,A4BC11D4_oC40_38_de_a_a2b2f_2a2b:Fe-Mg-O-Sr,20.0,"Invalid WP multiplicities - A4BC11D4_oC40_38_de_a_a2b6f_2a2b:Fe-Mg-O-Sr, expected Sr4MgFe4O27 to be Sr4MgFe4O11" +mp-2230209,Sr4Mg(Fe2O5)2,-7.1082248337,-2.2816340013,0.1382413147,0.1382413147,GGA+U,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Fe-Mg-O-Sr,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:Fe-Mg-O-Sr +mp-2228813,Sr4Mg(Fe2O5)2,-7.1294882226,-2.3028973902,0.1169779258,0.1169779258,GGA+U,Cm,A4BC10D4_mC38_8_2ab_a_2a4b_2b:Fe-Mg-O-Sr,19.0,"Invalid WP multiplicities - A4BC10D4_mC38_8_2ab_a_2a6b_3b:Fe-Mg-O-Sr, expected Sr6Mg(Fe2O7)2 to be Sr4Mg(Fe2O5)2" +mp-1147563,Sr4Fe3ClO8,-7.0314756188,-2.4320953817,0.0637393679,0.0637393679,GGA+U,P4/mmm,AB3C8D4_tP16_123_a_bg_egi_2h:Cl-Fe-O-Sr,16.0,"Invalid WP multiplicities - AB3C8D4_tP16_123_a_bg_2e2g3i_4h:Cl-Fe-O-Sr, expected Sr8Fe3ClO20 to be Sr4Fe3ClO8" +mp-23081,Sr3Fe2Cl2O5,-6.7173935742,-2.5141402695,0.0277986028,0.0277986028,GGA+U,I4/mmm,A2B2C5D3_tI24_139_e_e_ag_be:Cl-Fe-O-Sr,12.0,"Invalid WP multiplicities - A2B2C5D3_tI24_139_e_e_a2g_be:Cl-Fe-O-Sr, expected Sr3Fe2Cl2O9 to be Sr3Fe2Cl2O5" +mp-1032435,SrMg6FeO8,-6.3829945012,-2.6745754604,0.1925991288,0.1925991288,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Sr, expected SrMg6FeO12 to be SrMg6FeO8" +mp-1032456,SrMg6FeO8,-6.3177809606,-2.6093619198,0.2578126694,0.2578126694,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Sr, expected SrMg6FeO12 to be SrMg6FeO8" +mp-2218262,Sr3Mg(FeO3)2,-6.8283024242,-2.3875578327,0.1729308487,0.1729308487,GGA+U,Cm,A2BC6D3_mC24_8_2a_a_2a2b_3a:Fe-Mg-O-Sr,12.0,A2BC6D3_aP12_1_2a_a_6a_3a:Fe-Mg-O-Sr +mp-2226884,Sr3Mg(FeO3)2,-6.6859872492,-2.2452426577,0.3152460237,0.3152460237,GGA+U,I-4m2,A2BC6D3_tI24_119_e_c_e2f_ae:Fe-Mg-O-Sr,12.0,"Invalid WP multiplicities - A2BC6D3_tI24_119_e_c_e3f_ae:Fe-Mg-O-Sr, expected Sr3Mg(FeO4)2 to be Sr3Mg(FeO3)2" +mp-2218122,Sr3Mg(FeO3)2,-6.4454857425,-2.004741151,0.5557475304,0.5557475304,GGA+U,I4/mmm,A2BC6D3_tI24_139_e_a_eg_be:Fe-Mg-O-Sr,12.0,A2BC6D3_tI24_139_e_a_eg_be:Fe-Mg-O-Sr +mp-2228702,Sr4MgFe2(ClO3)2,-6.3631976113,-2.4514974866,0.2131522663,0.2131522663,GGA+U,P1,A2B2CD6E4_aP15_1_2a_2a_a_6a_4a:Cl-Fe-Mg-O-Sr,15.0,A2B2CD6E4_aP15_1_2a_2a_a_6a_4a:Cl-Fe-Mg-O-Sr +mp-2228633,Sr4MgFe2(ClO3)2,-6.278738022,-2.3670378973,0.2976118556,0.2976118556,GGA+U,P-4m2,A2B2CD6E4_tP15_115_g_g_a_efg_2g:Cl-Fe-Mg-O-Sr,15.0,"Invalid WP multiplicities - A2B2CD6E4_oC30_21_k_k_a_2ij2k_3k:Cl-Fe-Mg-O-Sr, expected Sr6MgFe2(ClO5)2 to be Sr4MgFe2(ClO3)2" +mp-1103214,Sr3Fe2(ClO2)2,-6.6076273436,-2.4719590759,0.0431808189,0.0431808189,GGA+U,I4/mmm,A2B2C4D3_tI22_139_e_e_g_ae:Cl-Fe-O-Sr,22.0,A2B2C4D3_tI22_139_e_e_g_ae:Cl-Fe-O-Sr +mp-2241597,Sr2MgFeO4,-6.7216710263,-2.5671656498,0.1202786431,0.1202786431,GGA+U,Cm,ABC4D2_mC16_8_a_a_2ab_2a:Fe-Mg-O-Sr,8.0,ABC4D2_tP8_99_a_b_abc_ab:Fe-Mg-O-Sr +mp-2227249,Sr2MgFeO4,-6.4522531113,-2.2977477348,0.3896965581,0.3896965581,GGA+U,I-4m2,ABC4D2_tI16_119_a_c_ef_e:Fe-Mg-O-Sr,8.0,ABC4D2_tI16_119_a_c_ef_e:Fe-Mg-O-Sr +mp-2227157,Sr2MgFeO4,-6.3708681787,-2.2163628023,0.4710814906,0.4710814906,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Fe-Mg-O-Sr,8.0,ABC4D2_tI16_139_a_b_ce_e:Fe-Mg-O-Sr +mp-2240805,Sr3MgFe2O7,-6.7759047254,-2.2962413555,0.3027594215,0.3027594215,GGA+U,C2/m,A2BC7D3_mC26_12_i_a_b3i_ci:Fe-Mg-O-Sr,13.0,"Invalid WP multiplicities - A2BC7D3_mC26_12_i_b_a5i_ci:Fe-Mg-O-Sr, expected Sr3MgFe2O11 to be Sr3MgFe2O7" +mp-2240893,Sr3MgFe2O7,-7.00962116,-2.5299577901,0.0690429869,0.0690429869,GGA+U,P4mm,A2BC7D3_tP13_99_ab_a_2ab2c_a2b:Fe-Mg-O-Sr,13.0,"Invalid WP multiplicities - A2BC7D3_tP13_99_ab_a_2ab4c_a2b:Fe-Mg-O-Sr, expected Sr3MgFe2O11 to be Sr3MgFe2O7" +mp-1035624,SrMg14FeO16,-6.3585494944,-2.8675977836,0.0930096606,0.0930096606,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Sr, expected SrMg18FeO20 to be SrMg14FeO16" +mp-1035509,SrMg14FeO16,-6.328035,-2.8370832893,0.123524155,0.123524155,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Sr, expected SrMg30FeO32 to be SrMg14FeO16" +mp-1147559,Sr3Fe2ClO5,-6.8089054527,-2.3915869985,0.1355029725,0.1355029725,GGA+U,P4/mmm,AB2C5D3_tP11_123_b_g_ai_ch:Cl-Fe-O-Sr,11.0,AB2C5D3_tP11_123_b_g_ai_ch:Cl-Fe-O-Sr +mp-1037572,SrMg30FeO32,-6.3503507802,-2.9681327345,0.0391911373,0.0391911373,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Sr, expected SrMg90FeO80 to be SrMg30FeO32" +mp-1037458,SrMg30FeO32,-6.3489326025,-2.9667145568,0.040609315,0.040609315,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Sr, expected SrMg110FeO72 to be SrMg30FeO32" +mp-1199236,Zn3Fe16Ni5O32,-7.3932383675,-1.5629831470000002,0.0865293881,0.0865293881,GGA+U,P1,A16B5C32D3_aP56_1_16a_5a_32a_3a:Fe-Ni-O-Zn,56.0,A16B5C32D3_aP56_1_16a_5a_32a_3a:Fe-Ni-O-Zn +mp-1201822,ZnFe4NiO8,-7.3395545836,-1.5900206679000002,0.0787399475,0.0787399475,GGA+U,Cm,A4BC8D_mC112_8_4a6b_2ab_8a12b_2ab:Fe-Ni-O-Zn,56.0,"Invalid WP multiplicities - A4BC8D_mC112_8_4a10b_2a2b_8a22b_2a2b:Fe-Ni-O-Zn, expected Zn3Fe12Ni3O26 to be ZnFe4NiO8" +mp-1215703,ZnFe4NiO8,-7.3707346093,-1.6212006936,0.0475599218,0.0475599218,GGA+U,R3m,A4BC8D_hR42_160_ab_a_2a2b_a:Fe-Ni-O-Zn,14.0,A4BC8D_hR42_160_ab_a_2a2b_a:Fe-Ni-O-Zn +mp-1215616,ZnFe4NiO8,-7.3770665293,-1.6275326136,0.0412280018,0.0412280018,GGA+U,F-43m,A4BC8D_cF56_216_e_a_2e_c:Fe-Ni-O-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Fe-Ni-O-Zn +mp-1203466,ZnFe8Ni3O16,-7.4392700982,-1.5282935729,0.101970882,0.101970882,GGA+U,Cm,A8B3C16D_mC112_8_6a5b_3b_8a12b_2a:Fe-Ni-O-Zn,56.0,"Invalid WP multiplicities - A8B3C16D_mC112_8_6a6b_6b_8a21b_2a:Fe-Ni-O-Zn, expected ZnFe9Ni6O25 to be ZnFe8Ni3O16" +mp-1198303,ZnFe16Ni7O32,-7.5090636241,-1.5173657939,0.0936505806,0.0936505806,GGA+U,P1,A16B7C32D_aP56_1_16a_7a_32a_a:Fe-Ni-O-Zn,56.0,A16B7C32D_aP56_1_16a_7a_32a_a:Fe-Ni-O-Zn +mp-1220900,NaLa9(Ge3O13)2,-7.988869006,-3.1769960807,0.0,-0.0080567224,GGA,P3,A6B9CD26_hP42_143_2d_a2b2d_a_2c8d:Ge-La-Na-O,42.0,A6B9CD26_hP42_143_2d_a2b2d_a_2c8d:Ge-La-Na-O +mp-20085,LaTiGe3,-6.058804812,-0.7186882747000001,0.0,-0.0531565472,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ge-La-Ti,10.0,A3BC_hP10_194_h_c_a:Ge-La-Ti +mp-20756,LaTiGe,-6.43405887,-0.6158832111,0.0024791531,0.0024791531,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-La-Ti,6.0,ABC_tP6_129_c_c_a:Ge-La-Ti +mp-861480,Li4Nb3Fe3(SbO8)2,-7.6862204611,-2.3021243155,0.0668790447,0.0668790447,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-Sb,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-Sb +mp-867556,Li4Nb3Fe3(SbO8)2,-7.6723624189,-2.2882662733,0.0807370868,0.0807370868,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Nb-O-Sb,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Nb-O-Sb, expected Li4Nb3Fe3(SbO10)2 to be Li4Nb3Fe3(SbO8)2" +mp-1177322,Li4Nb2Fe3Sb3O16,-7.3060946839,-2.1352951026,0.0976091841,0.0976091841,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-Sb,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-Sb +mp-765650,Li4Nb2Fe3Sb3O16,-7.2983183354,-2.127518754,0.1053855327,0.1053855327,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Nb-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Nb-O-Sb, expected Li4Nb2Fe3Sb3O20 to be Li4Nb2Fe3Sb3O16" +mp-1037244,Mg30ZnFeO32,-6.3359702575,-2.9604670531,0.0049985648,0.0049985648,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Zn, expected Mg90ZnFeO80 to be Mg30ZnFeO32" +mp-1037212,Mg30ZnFeO32,-6.3360337788,-2.9605305744,0.0049350436,0.0049350436,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Zn, expected Mg110ZnFeO72 to be Mg30ZnFeO32" +mp-1227632,BaZnFe6O11,-7.5185337439,-1.8126168159,0.0499262487,0.0499262487,GGA+U,Cm,AB6C11D_mC76_8_2a_8a2b_10a6b_2a:Ba-Fe-O-Zn,38.0,AB6C11D_mC76_8_2a_8a2b_10a6b_2a:Ba-Fe-O-Zn +mp-2228479,MgZn(FeO2)4,-7.143655345,-1.6926826171,0.2344728946,0.2344728946,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn +mp-2228908,MgZn(FeO2)4,-7.1181941829,-1.667221455,0.2599340568,0.2599340568,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn +mp-2228470,MgZn(FeO2)4,-7.2057984321,-1.7548257043,0.1723298075,0.1723298075,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Fe-Mg-O-Zn +mp-1221978,MgZn(FeO2)4,-7.3698606157,-1.9188878879,0.0082676239,0.0082676239,GGA+U,R3m,A4BC8D_hR42_160_ab_a_2a2b_a:Fe-Mg-O-Zn,14.0,A4BC8D_hR42_160_ab_a_2a2b_a:Fe-Mg-O-Zn +mp-1035831,Mg14ZnFeO16,-6.3433309525,-2.8658089244,0.0110820122,0.0110820122,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Zn, expected Mg18ZnFeO20 to be Mg14ZnFeO16" +mp-1035812,Mg14ZnFeO16,-6.3139676178,-2.8364455897000003,0.0404453469,0.0404453469,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Zn, expected Mg30ZnFeO32 to be Mg14ZnFeO16" +mp-2217870,MgZn2(FeO3)2,-6.4488959900000005,-1.8361739939,0.157103065,0.157103065,GGA+U,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Fe-Mg-O-Zn,11.0,"Invalid WP multiplicities - A2BC6D2_hR33_146_2a_a_4b_2a:Fe-Mg-O-Zn, expected MgZn2(FeO6)2 to be MgZn2(FeO3)2" +mp-2218033,MgZn2(FeO3)2,-6.4594343709,-1.8467123748,0.1465646841,0.1465646841,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Fe-Mg-O-Zn,11.0,A2BC6D2_hR33_148_c_a_f_c:Fe-Mg-O-Zn +mp-2217317,MgZn2(FeO3)2,-6.5217938773,-1.9090718811,0.0842051777,0.0842051777,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Fe-Mg-O-Zn,11.0,A2BC6D2_hR33_148_c_a_f_c:Fe-Mg-O-Zn +mp-1044403,BaZn(FeO2)4,-7.28397207,-1.8102354214,0.1075534771,0.1075534771,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Fe-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Fe-O-Zn +mp-1032615,Mg6ZnFeO8,-6.2959238912,-2.6143642156,0.0853773581,0.0853773581,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Zn, expected Mg6ZnFeO12 to be Mg6ZnFeO8" +mp-1032625,Mg6ZnFeO8,-6.294738275,-2.6131785994,0.0865629744,0.0865629744,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Zn, expected Mg6ZnFeO12 to be Mg6ZnFeO8" +mp-2230844,MgZn4(Fe2O5)2,-6.3602685379,-1.6241513567,0.2190492129,0.2190492129,GGA+U,Pm,A4BC10D4_mP19_6_4b_a_4a6b_4a:Fe-Mg-O-Zn,19.0,A4BC10D4_mP19_6_4b_a_4a6b_4a:Fe-Mg-O-Zn +mp-2233108,BaMgZn(FeO2)4,-6.9450681413,-1.7295619327,0.2901586699,0.2901586699,GGA+U,C2,AB4CD8E_mC30_5_a_2c_b_2a3c_b:Ba-Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - AB4CD8E_mC30_5_a_4c_b_2a5c_b:Ba-Fe-Mg-O-Zn, expected BaMgZn(Fe2O3)4 to be BaMgZn(FeO2)4" +mp-2224730,MgZn2(FeO2)4,-6.835566776,-1.6640093227,0.192968663,0.192968663,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Fe-Mg-O-Zn,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Fe-Mg-O-Zn +mp-2233141,MgZn2(FeO2)4,-6.838109562,-1.6665521087,0.190425877,0.190425877,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Fe-Mg-O-Zn,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Fe-Mg-O-Zn +mp-2232624,MgZn2(FeO2)4,-6.8584840413,-1.686926588,0.1700513977,0.1700513977,GGA+U,C2,A4BC8D2_mC30_5_2c_a_4c_c:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_5_3c_a_7c_c:Fe-Mg-O-Zn, expected MgZn2(Fe3O7)2 to be MgZn2(FeO2)4" +mp-2233129,MgZn2(FeO2)4,-6.8112385693,-1.639681116,0.2172968697,0.2172968697,GGA+U,Pm,A4BC8D2_mP15_6_2c_a_ab3c_ab:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mP15_6_4c_a_ab4c_ab:Fe-Mg-O-Zn, expected MgZn2(Fe4O5)2 to be MgZn2(FeO2)4" +mp-2232652,MgZn2(FeO2)4,-6.841514704,-1.6699572507,0.187020735,0.187020735,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2a2b_a_4a4b_2a:Fe-Mg-O-Zn, expected MgZn2(FeO2)6 to be MgZn2(FeO2)4" +mp-2232660,MgZn2(FeO2)4,-6.84080553,-1.6692480767,0.187729909,0.187729909,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Mg-O-Zn,15.0,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Mg-O-Zn +mp-2232693,MgZn2(FeO2)4,-6.8472816887,-1.6757242353,0.1812537503,0.1812537503,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a4b_2a:Fe-Mg-O-Zn, expected MgZn2(FeO3)4 to be MgZn2(FeO2)4" +mp-2215910,MgZn2(FeO2)4,-6.8105750587,-1.6390176053,0.2179603803,0.2179603803,GGA+U,C2/m,A4BC8D2_mC30_12_aci_b_2ij_e:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bci_a_4ij_e:Fe-Mg-O-Zn, expected MgZn2(FeO3)4 to be MgZn2(FeO2)4" +mp-2215804,MgZn2(FeO2)4,-6.6816800607,-1.5101226073,0.3468553783,0.3468553783,GGA+U,C2/m,A4BC8D2_mC30_12_fi_b_2ij_ac:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_fi_a_3i2j_bc:Fe-Mg-O-Zn, expected MgZn2(Fe2O7)2 to be MgZn2(FeO2)4" +mp-2232657,MgZn2(FeO2)4,-6.870414084,-1.6988566307,0.158121355,0.158121355,GGA+U,C2/m,A4BC8D2_mC30_12_ace_b_2ij_i:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bcf_a_4i3j_i:Fe-Mg-O-Zn, expected MgZn2(FeO5)4 to be MgZn2(FeO2)4" +mp-2232936,MgZn2(FeO2)4,-6.5652080627,-1.3936506093,0.4633273763,0.4633273763,GGA+U,C2/m,A4BC8D2_mC30_12_ei_b_2ij_ac:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_fi_b_3i2j_ac:Fe-Mg-O-Zn, expected MgZn2(Fe2O7)2 to be MgZn2(FeO2)4" +mp-2232795,MgZn2(FeO2)4,-6.825496606,-1.6539391527,0.203038833,0.203038833,GGA+U,C2/m,A4BC8D2_mC30_12_2i_a_4i_i:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_3i_a_7i_i:Fe-Mg-O-Zn, expected MgZn2(Fe3O7)2 to be MgZn2(FeO2)4" +mp-2233111,MgZn2(FeO2)4,-6.4512915,-1.2797340467,0.577243939,0.577243939,GGA+U,C2/m,A4BC8D2_mC30_12_ei_b_2ij_ac:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_fi_b_3i2j_ac:Fe-Mg-O-Zn, expected MgZn2(Fe2O7)2 to be MgZn2(FeO2)4" +mp-2232649,MgZn2(FeO2)4,-6.703977288,-1.5324198347,0.324558151,0.324558151,GGA+U,Amm2,A4BC8D2_oC30_38_2c_a_ab3c_ab:Fe-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oC30_38_4c_a_ab4c_ab:Fe-Mg-O-Zn, expected MgZn2(Fe4O5)2 to be MgZn2(FeO2)4" +mp-2215914,MgZn2(FeO2)4,-6.8254386233,-1.65388117,0.2030968157,0.2030968157,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn +mp-2215799,MgZn2(FeO2)4,-6.7908810607,-1.6193236073,0.2376543783,0.2376543783,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn +mp-2215904,MgZn2(FeO2)4,-6.600373656,-1.4288162027,0.428161783,0.428161783,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Zn +mp-2232442,MgZn2(FeO2)4,-6.8289379547,-1.6573805013,0.1995974843,0.1995974843,GGA+U,R3m,A4BC8D2_hR45_160_ab_a_2a2b_2a:Fe-Mg-O-Zn,15.0,A4BC8D2_hR45_160_ab_a_2a2b_2a:Fe-Mg-O-Zn +mp-1209074,Sr2GdCu2HgO7,-6.79592505,-2.1356155246,0.0809285771,0.0809285771,GGA,P4/mmm,A2BCD7E2_tP13_123_h_b_c_ahi_g:Cu-Gd-Hg-O-Sr,13.0,A2BCD7E2_tP13_123_h_b_c_ahi_g:Cu-Gd-Hg-O-Sr +mp-756040,Gd2HgO4,-9.8760732779,-2.9842618936000003,0.0,-0.0187969261,GGA,C2/m,A2BC4_mC28_12_2i_i_4i:Gd-Hg-O,14.0,"Invalid WP multiplicities - A2BC4_mC28_12_3i_i_7i:Gd-Hg-O, expected Gd3HgO7 to be Gd2HgO4" +mp-1018780,Li3SmBi2,-3.71631633,-0.6952608308,0.0,-0.019468545,GGA,P-3m1,A2B3C_hP6_164_d_ad_b:Bi-Li-Sm,6.0,A2B3C_hP6_164_d_ad_b:Bi-Li-Sm +mp-1210954,LiSm2RuO6,-7.859963636,-2.8299006416,0.0,-0.0210986682,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Li-O-Ru-Sm,20.0,AB6CD2_mP20_14_a_3e_b_e:Li-O-Ru-Sm +mp-1235554,LiSm3Bi(Ru2O7)2,-7.7317219435,-2.2423122687,0.0676918104,0.0676918104,GGA,Cm,ABC14D4E3_mC46_8_a_a_6a4b_2ab_ab:Bi-Li-O-Ru-Sm,23.0,ABC14D4E3_mC46_8_a_a_6a4b_2ab_ab:Bi-Li-O-Ru-Sm +mp-1236198,LiSm3Bi(Ru2O7)2,-7.7464948922,-2.2570852174,0.0529188617,0.0529188617,GGA,R3m,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Li-O-Ru-Sm,23.0,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Li-O-Ru-Sm +mp-1236389,LiSm3Bi(Ru2O7)2,-7.733921323,-2.2445116483,0.0654924308,0.0654924308,GGA,R3m,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Li-O-Ru-Sm,23.0,ABC14D4E3_hR69_160_a_a_2a4b_ab_b:Bi-Li-O-Ru-Sm +mp-865708,LiSm2Ru,-5.351724315,-0.1965998958,0.0002846551,0.0002846551,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Li-Ru-Sm +mp-1521537,SrEu(GeO3)4,-6.9969266456,-2.0081004673,0.2644395165,0.2644395165,GGA,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Eu-Ge-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Eu-Ge-O-Sr, expected SrEu(GeO4)4 to be SrEu(GeO3)4" +mp-1518560,SrEuZrGeO6,-8.61592714,-3.1361915394,0.0596294229,0.0596294229,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ge-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ge-O-Sr-Zr +mp-1218845,Sr2Eu3Ge10,-5.8813399967,-0.5226552729,0.0034310463,0.0034310463,GGA,P-3m1,A3B10C2_hP15_164_ac_5d_c:Eu-Ge-Sr,15.0,"Invalid WP multiplicities - A3B10C2_hP15_164_a2c_10d_c:Eu-Ge-Sr, expected Sr2(EuGe4)5 to be Sr2Eu3Ge10" +mp-1523090,Sr2ZrGeO6,-7.784224592,-3.1612398261,0.0424975594,0.0424975594,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ge-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Ge-O-Sr-Zr +mp-1224814,Ga2CuAgS4,-4.4731808725,-0.7814615993,0.0130733375,0.0130733375,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-S,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-Ga-S +mp-1226976,Cd2GaCuS4,-3.9736594938,-0.7837992838000001,0.07249561,0.07249561,GGA,Cm,A2BCD4_mC16_8_2a_a_a_4a:Cd-Cu-Ga-S,8.0,A2BCD4_mC16_8_2a_a_a_4a:Cd-Cu-Ga-S +mp-1518518,PrZn(BiO3)2,-6.080845284,-1.7406692948,0.432468771,0.432468771,GGA,I4/m,A2B6CD_tI20_87_d_eh_a_b:Bi-O-Pr-Zn,10.0,A2B6CD_tI20_87_d_eh_a_b:Bi-O-Pr-Zn +mp-1518425,PrZn(BiO3)2,-6.1504640718,-1.8102880825,0.3628499832,0.3628499832,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Bi-O-Pr-Zn,40.0,A2B6CD_cP40_201_ad_h_b_c:Bi-O-Pr-Zn +mp-1518374,PrZn(BiO3)2,-5.815950622,-1.4757746328,0.697363433,0.697363433,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Bi-O-Pr-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Bi-O-Pr-Zn +mp-1218415,Sr2ZnBi2,-3.060317942,-0.5963761867,0.1004118803,0.1004118803,GGA,P-6m2,A2B2C_hP5_187_bc_i_a:Bi-Sr-Zn,5.0,A2B2C_hP5_187_bc_i_a:Bi-Sr-Zn +mp-1219845,Pr2ZnBi4,-4.3266511,-0.5861494371,0.0,-0.017941928,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:Bi-Pr-Zn,7.0,A4B2C_tP7_115_abg_g_c:Bi-Pr-Zn +mp-29623,SrZnBi2,-3.1137294075,-0.4561755767,0.0196251558,0.0196251558,GGA,I4/mmm,A2BC_tI16_139_ce_e_d:Bi-Sr-Zn,8.0,A2BC_tI16_139_ce_e_d:Bi-Sr-Zn +mp-1522142,SrPrZnBiO6,-6.398511293,-2.2734348714,0.1968420555,0.1968420555,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Bi-O-Pr-Sr-Zn,10.0,AB6CDE_cF40_216_a_f_c_d_b:Bi-O-Pr-Sr-Zn +mp-1522764,BaCaLaSbO6,-7.269424567,-3.0024530238,0.0642097025,0.0642097025,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-La-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-La-O-Sb, expected BaCaLaSbO12 to be BaCaLaSbO6" +mp-1522537,BaCaLaSbO6,-7.2628553267,-2.9958837835,0.0707789427,0.0707789427,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Ca-La-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Ca-La-O-Sb, expected BaCa2LaSbO12 to be BaCaLaSbO6" +mp-1522593,BaCaLaSbO6,-7.174639695,-2.9076681518000003,0.1589945745,0.1589945745,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-La-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-La-O-Sb +mp-1410589,CaLa2SbO6,-7.640471571,-3.0717968113,0.1725597466,0.1725597466,GGA,R-3,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Sb,10.0,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-Sb +mp-1214026,Ca3La2Sb3O14,-7.27337636,-2.8402191087,0.0051289088,0.0051289088,GGA,C2/m,A3B2C14D3_mC44_12_abc_f_3i2j_de:Ca-La-O-Sb,22.0,A3B2C14D3_mC44_12_abc_e_3i2j_df:Ca-La-O-Sb +mp-1227469,Ca2LaSbO6,-7.37629017,-3.1006561328,0.0,-0.0308507312,GGA,Pc,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Sb,20.0,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Sb +mp-1106181,Ca2LaSbO6,-7.325852145,-3.0502181078,0.050438025,0.0195872938,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-La-O-Sb,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-La-O-Sb +mp-1518749,Ca2LaSbO6,-7.2119622095,-2.9363281722,0.1643279605,0.1334772293,GGA,P4/mnc,A2BC6D_tP20_128_d_a_eh_b:Ca-La-O-Sb,20.0,A2BC6D_tP20_128_d_a_eh_b:Ca-La-O-Sb +mp-1518672,Ca2LaSbO6,-7.2595930588,-2.9839590215,0.1166971112,0.0858463801,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ca-La-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ca-La-O-Sb +mp-1518723,Ca2LaSbO6,-7.0750303,-2.7993962628,0.30125987,0.2704091388,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-La-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-La-O-Sb +mp-1227578,Ca2La5Sb5O14,-6.91208713,-2.3509377668,0.5790874037,0.5790874037,GGA,P2/m,A2B5C14D5_mP26_10_ac_do_3m2o_go:Ca-La-O-Sb,26.0,A2B5C14D5_mP26_10_ac_do_3m2o_go:Ca-La-O-Sb +mp-1216816,TlSbPbS3,-4.3376335717,-0.5686933955,0.0763048992,0.0763048992,GGA,P1,AB3CD_aP6_1_a_3a_a_a:Pb-S-Sb-Tl,6.0,AB3CD_aP6_1_a_3a_a_a:Pb-S-Sb-Tl +mp-1216976,Tl5Sb10As3S22,-4.5009308005,-0.54886879,0.0,-0.0029695707,GGA,P1,A3B22C10D5_aP40_1_3a_22a_10a_5a:As-S-Sb-Tl,40.0,A3B22C10D5_aP40_1_3a_22a_10a_5a:As-S-Sb-Tl +mp-1352443,Tl5Sb10As3S22,-3.8662092822,0.0858527282,0.6347215183,0.6317519476,GGA,P1,A3B22C10D5_aP40_1_3a_22a_10a_5a:As-S-Sb-Tl,40.0,A3B22C10D5_aP40_1_3a_22a_10a_5a:As-S-Sb-Tl +mp-647900,TlAs3PbS6,-4.6031984016,-0.5239852531,0.004354898,0.004354898,GGA,Fdd2,A3BC6D_oF176_43_3b_b_6b_b:As-Pb-S-Tl,44.0,"Invalid WP multiplicities - A3BC6D_oF176_43_12b_b_23b_b:As-Pb-S-Tl, expected TlAs12PbS23 to be TlAs3PbS6" +mp-1209142,TlAs5PbS9,-4.661645682,-0.4992124918,0.0,-0.0035788875,GGA,Pbca,A5BC9D_oP128_61_5c_c_9c_c:As-Pb-S-Tl,128.0,A5BC9D_oP128_61_5c_c_9c_c:As-Pb-S-Tl +mp-558174,TlSb3(AsS4)2,-4.5950746241,-0.5122544376,0.0073052734,0.0073052734,GGA,Pna2_1,A2B8C3D_oP112_33_4a_16a_6a_2a:As-S-Sb-Tl,112.0,"Invalid WP multiplicities - A2B8C3D_oP112_33_11a_62a_21a_4a:As-S-Sb-Tl, expected Tl4Sb21As11S62 to be TlSb3(AsS4)2" +mp-581586,Tl8Sb21As19(PbS17)4,-4.6180337444,-0.5325120766,0.0,-0.0011245856,GGA,P1,A19B4C68D21E8_aP120_1_19a_4a_68a_21a_8a:As-Pb-S-Sb-Tl,120.0,A19B4C68D21E8_aP120_1_19a_4a_68a_21a_8a:As-Pb-S-Sb-Tl +mp-1208201,TlSbAs2PbS6,-4.587923267,-0.5569025881,0.0,-0.0006685952,GGA,P2_1/c,A2BC6DE_mP44_14_2e_e_6e_e_e:As-Pb-S-Sb-Tl,44.0,A2BC6DE_mP44_14_2e_e_6e_e_e:As-Pb-S-Sb-Tl +mp-2227369,Ba2PrMgNbO6,-7.3957413855,-2.8502347498,0.2903264272,0.2903264272,GGA,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Nb-O-Pr,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Nb-O-Pr +mp-2217352,Ba2PrMgNbO6,-7.2912339782,-2.7457273425,0.3948338345,0.3948338345,GGA,C2/m,A2BCD6E_mC22_12_i_a_c_ij_b:Ba-Mg-Nb-O-Pr,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_12_i_a_c_2i3j_b:Ba-Mg-Nb-O-Pr, expected Ba2PrMgNbO16 to be Ba2PrMgNbO6" +mp-2217292,Ba2PrMgNbO6,-7.2939661236,-2.748459488,0.392101689,0.392101689,GGA,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nb-O-Pr,11.0,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nb-O-Pr +mp-2224757,Ba2PrMgNbO6,-7.3990472891,-2.8535406534,0.2870205235,0.2870205235,GGA,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nb-O-Pr,11.0,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-Mg-Nb-O-Pr +mp-2219766,Pr2MgNb2O8,-8.5895025408,-3.1327170538,0.2137744724,0.2137744724,GGA,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Pr,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Pr +mp-1520941,NaEu(CoO3)4,-6.5952295217,-1.0745038101,0.3115220526,0.3115220526,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Co-Eu-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Co-Eu-Na-O, expected NaEu(Co2O9)2 to be NaEu(CoO3)4" +mp-1204616,RbLiMoO5,-6.5067288028,-1.6981599771,0.2779221573,0.2779221573,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Li-Mo-O-Rb,64.0,ABC5D_oP64_61_c_c_5c_c:Li-Mo-O-Rb +mp-557676,LiGa(MoO4)2,-7.6122716188,-2.0954525522,0.0082376773,0.0082376773,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Ga-Li-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_aP24_2_i_i_2i_13i:Ga-Li-Mo-O, expected LiGaMo2O13 to be LiGa(MoO4)2" +mp-1209478,Rb2Li3GaO4,-5.078486431,-2.0282176697,0.0,-0.0225852083,GGA,Ibam,AB3C4D2_oI40_72_a_bf_k_j:Ga-Li-O-Rb,20.0,AB3C4D2_oI40_72_a_bf_k_j:Ga-Li-O-Rb +mp-1209544,Rb3Li2Ga(MoO4)4,-7.269652405,-2.1805307206,0.0162215152,0.0162215152,GGA+U,I-42d,AB2C4D16E3_tI104_122_a_d_e_4e_bd:Ga-Li-Mo-O-Rb,52.0,AB2C4D16E3_tI104_122_a_d_e_4e_bd:Ga-Li-Mo-O-Rb +mp-556209,RbLiMoO4,-7.0472169957,-2.2583795823,0.0,-0.0212981907,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Li-Mo-O-Rb,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_6a_a:Li-Mo-O-Rb, expected RbLiMoO6 to be RbLiMoO4" +mp-1047825,Be3Fe2(SiO4)3,-7.881275173,-2.691550191,0.1388296619,0.1388296619,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Fe-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Fe-O-Si, expected Be4Fe2Si3O17 to be Be3Fe2(SiO4)3" +mp-704536,Be3Fe4Si3SeO12,-7.7740294276,-2.3727053608,0.1729425463,0.1729425463,GGA+U,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Fe-O-Se-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Fe-O-Se-Si +mp-770566,Be(FeO2)2,-7.8372174386,-2.0563302771,0.0502779436,0.0502779436,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:Be-Fe-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_5c4d:Be-Fe-O, expected BeFe4O13 to be Be(FeO2)2" +mp-770953,Be(FeO2)2,-7.79554992,-2.0146627586,0.0919454621,0.0919454621,GGA+U,Pnma,AB2C4_oP28_62_c_2c_4c:Be-Fe-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_13c:Be-Fe-O, expected BeFe5O13 to be Be(FeO2)2" +mp-862669,BeFe2Si,-6.90540297,-0.3792096413,0.0,-0.0206037733,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Fe-Si,4.0,AB2C_cF16_225_a_c_b:Be-Fe-Si +mp-5910,CaCuSb,-4.1430907917,-0.7318215283,0.0,-0.0681246847,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Cu-Sb,6.0,ABC_hP6_194_a_c_d:Ca-Cu-Sb +mp-1041622,CaCuSb2O7,-6.3045340017,-1.8509312736,0.2611612111,0.2611612111,GGA,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Ca-Cu-O-Sb,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Ca-Cu-O-Sb, expected Ca4Cu4(Sb3O13)3 to be CaCuSb2O7" +mp-1041041,CaCu2(SbO4)2,-6.1603296946,-1.6960585108,0.2362399131,0.2362399131,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-Sb,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-Sb, expected CaCu6Sb5O26 to be CaCu2(SbO4)2" +mp-1042703,CaCu3(SbO3)4,-6.1723240655,-1.6633495962,0.1466523676,0.1466523676,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Sb,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Sb +mp-21539,CaCr2Cu3(SbO6)2,-6.9438970363,-1.882517944,0.5559401860000001,0.5559401860000001,GGA+U,Pn-3,AB2C3D12E2_cP40_201_a_b_d_h_c:Ca-Cr-Cu-O-Sb,40.0,AB2C3D12E2_cP40_201_a_b_d_h_c:Ca-Cr-Cu-O-Sb +mp-1221060,Na5Zr2Si12O37,-7.3849727136,-2.5306990278,0.2829607149,0.2829607149,GGA,C2,A5B37C12D2_mC112_5_a2c_2a3b16c_6c_c:Na-O-Si-Zr,56.0,"Invalid WP multiplicities - A5B37C12D2_mC112_5_a4c_2a3b32c_12c_c:Na-O-Si-Zr, expected Na9Zr2(Si8O23)3 to be Na5Zr2Si12O37" +mp-1221284,Na2ZrSi3O11,-7.3645145647,-2.5479097923,0.2565180707,0.2565180707,GGA,C2/c,A2B11C3D_mC68_15_ac_e5f_ef_b:Na-O-Si-Zr,34.0,"Invalid WP multiplicities - A2B11C3D_mC68_15_2a2c_2e14f_2e3f_d:Na-O-Si-Zr, expected Na4Zr(Si4O15)2 to be Na2ZrSi3O11" +mp-1221301,Na2ZrSi3O11,-7.3477280618,-2.5311232894,0.2733045737,0.2733045737,GGA,C2/c,A2B11C3D_mC68_15_f_ace4f_ef_b:Na-O-Si-Zr,34.0,"Invalid WP multiplicities - A2B11C3D_mC68_15_f_2a2c2e14f_2e3f_d:Na-O-Si-Zr, expected Na2Zr(Si4O17)2 to be Na2ZrSi3O11" +mp-1200500,Na2ZrSi3O11,-7.3759166735,-2.5593119011,0.2451159619,0.2451159619,GGA,Pna2_1,A2B11C3D_oP68_33_2a_11a_3a_a:Na-O-Si-Zr,68.0,A2B11C3D_oP68_33_2a_11a_3a_a:Na-O-Si-Zr +mp-728912,Na4Zr(SiO3)6,-7.3920543668,-2.7220506845,0.1635288511,0.1635288511,GGA,Pnc2,A4B18C6D_oP116_30_ab3c_18c_6c_c:Na-O-Si-Zr,116.0,A4B18C6D_oP116_30_ab3c_18c_6c_c:Na-O-Si-Zr +mp-1221344,Na2Zr(Si2O5)3,-8.1272295355,-3.2128549495,0.0017017818,0.0017017818,GGA,Cmce,A2B15C6D_oC192_64_ef_e2f6g_3g_c:Na-O-Si-Zr,96.0,A2B15C6D_oC192_64_ef_e2f6g_3g_c:Na-O-Si-Zr +mp-6824,Na2ZrSi4O11,-8.0471537875,-3.1967316119,0.0,-0.0045678031,GGA,C2/c,A2B11C4D_mC72_15_2e_e5f_2f_c:Na-O-Si-Zr,36.0,"Invalid WP multiplicities - A2B11C4D_mC72_15_2e_e6f_3f_a:Na-O-Si-Zr, expected Na2ZrSi6O13 to be Na2ZrSi4O11" +mp-1220870,Na6Zr2Si4O17,-7.1857350879,-2.6745098041,0.1444077715,0.1444077715,GGA,C2/m,A6B17C4D2_mC58_12_3i_b4i2j_2i_ac:Na-O-Si-Zr,29.0,A6B17C4D2_mC58_12_3i_a4i2j_2i_bc:Na-O-Si-Zr +mp-1210412,Na2ZrSi6O19,-7.3298131579,-2.4108222682,0.3445120729,0.3445120729,GGA,C2,A2B19C6D_mC56_5_c_3a8c_3c_b:Na-O-Si-Zr,28.0,A2B19C6D_mC56_5_c_3a8c_3c_b:Na-O-Si-Zr +mp-1196189,Na2Zr(SiO3)6,-7.3404385665,-2.4224735221,0.434910239,0.434910239,GGA,Pma2,A2B18C6D_oP54_28_ac_4c7d_3d_a:Na-O-Si-Zr,54.0,A2B18C6D_oP54_28_ac_4c7d_3d_a:Na-O-Si-Zr +mp-734338,Na2Zr(SiO3)6,-7.3379192667,-2.4199542222,0.4374295388,0.4374295388,GGA,Pma2,A2B18C6D_oP54_28_ac_4c7d_3d_a:Na-O-Si-Zr,54.0,A2B18C6D_oP54_28_ac_4c7d_3d_a:Na-O-Si-Zr +mp-733539,Na2Zr(SiO3)6,-7.3367644706,-2.4187994262,0.4385843349,0.4385843349,GGA,Pbcm,A2B18C6D_oP108_57_cd_4d7e_3e_c:Na-O-Si-Zr,108.0,A2B18C6D_oP108_57_cd_4d7e_3e_c:Na-O-Si-Zr +mp-558191,Na2ZrSi2O7,-7.8732988821,-3.1507815274,0.0,-0.0067844993,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Na-O-Si-Zr,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_2i_12i_4i_i:Na-O-Si-Zr, expected Na2Zr(SiO3)4 to be Na2ZrSi2O7" +mp-556709,Na2ZrSiO5,-7.6747059625,-3.0800934288,0.0,-0.0086844058,GGA,P2_1/c,A2B5CD_mP72_14_4e_10e_2e_2e:Na-O-Si-Zr,72.0,"Invalid WP multiplicities - A2B5CD_mP72_14_13e_37e_5e_5e:Na-O-Si-Zr, expected Na13Zr5Si5O37 to be Na2ZrSiO5" +mp-725970,NaZrSi2O7,-8.0765650495,-3.0449575075,0.0929025601,0.0929025601,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Na-O-Si-Zr,22.0,AB7C2D_aP22_2_i_7i_2i_i:Na-O-Si-Zr +mp-1210380,Na3Zr(SiO3)6,-7.4373480268,-2.6477915449,0.2241935994,0.2241935994,GGA,C2,A3B18C6D_mC56_5_ac_2a8c_3c_b:Na-O-Si-Zr,28.0,A3B18C6D_mC56_5_ac_2a8c_3c_b:Na-O-Si-Zr +mp-1180329,Na2ZrSi3O10,-7.6481577088,-2.8396831825,0.140021422,0.140021422,GGA,P2_12_12_1,A2B10C3D_oP64_19_2a_10a_3a_a:Na-O-Si-Zr,64.0,A2B10C3D_oP64_19_2a_10a_3a_a:Na-O-Si-Zr +mp-1210886,Na2ZrSi3O10,-7.6295502709,-2.8210757447,0.1586288598,0.1586288598,GGA,P2_12_12_1,A2B10C3D_oP64_19_2a_10a_3a_a:Na-O-Si-Zr,64.0,A2B10C3D_oP64_19_2a_10a_3a_a:Na-O-Si-Zr +mp-555472,Na4Zr2(SiO4)3,-7.7887652845,-3.1210642817,0.0003322105,-0.0005776537,GGA,R3c,A4B12C3D2_hR126_161_ab_4b_b_2a:Na-O-Si-Zr,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_161_2a2b_20b_b_4a:Na-O-Si-Zr, expected Na8Zr4(SiO20)3 to be Na4Zr2(SiO4)3" +mp-6150,Na4Zr2(SiO4)3,-7.789097495,-3.1213964922,0.0,-0.0009098642,GGA,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Na-O-Si-Zr,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_167_2b2e_2f_e_c:Na-O-Si-Zr, expected Na8Zr2(SiO4)3 to be Na4Zr2(SiO4)3" +mp-1221466,Na2Zr(SiO4)2,-7.4937608231,-2.7539995179,0.1544141997,0.1544141997,GGA,Cc,A2B8C2D_mC52_9_2a_8a_2a_a:Na-O-Si-Zr,26.0,"Invalid WP multiplicities - A2B8C2D_mC52_9_2a_11a_3a_a:Na-O-Si-Zr, expected Na2ZrSi3O11 to be Na2Zr(SiO4)2" +mp-1194403,PdPb2Se2(ClO3)2,-5.4251785842,-1.3502397771,0.0,-0.0244250885,GGA,P2_1/c,A2B6C2DE2_mP26_14_e_3e_e_a_e:Cl-O-Pb-Pd-Se,26.0,A2B6C2DE2_mP26_14_e_3e_e_a_e:Cl-O-Pb-Pd-Se +mp-1078089,Pd3(PbSe)2,-4.8235803271,-0.5440428235,0.0,-0.0100331282,GGA,R-3m,A2B3C2_hR21_166_ab_d_c:Pb-Pd-Se,7.0,A2B3C2_hR21_166_ab_d_c:Pb-Pd-Se +mp-29469,Pd(Se3Cl)2,-3.6482967611,-0.3313607616,0.3118861156,0.3118861156,GGA,P2_1/c,A2BC6_mP18_14_e_a_3e:Cl-Pd-Se,18.0,"Invalid WP multiplicities - A2BC6_mP18_14_e_a_7e:Cl-Pd-Se, expected Pd(Se7Cl)2 to be Pd(Se3Cl)2" +mp-567437,Pd(Se4Cl)2,-3.9702739275,-0.6207969319000001,0.0,-0.2684110488,GGA,Pbca,A2BC8_oP44_61_c_a_4c:Cl-Pd-Se,44.0,"Invalid WP multiplicities - A2BC8_oP44_61_c_a_27c:Cl-Pd-Se, expected Pd(Se27Cl)2 to be Pd(Se4Cl)2" +mp-28982,Pd(PbCl3)2,-3.9648410761,-1.3319081972,0.0054519267,0.0054519267,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Cl-Pb-Pd,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_4e_e_a:Cl-Pb-Pd, expected Pd(PbCl4)2 to be Pd(PbCl3)2" +mp-28323,Pd2Cl2O,-4.615048607,-0.8143434767000001,0.035959309,0.035959309,GGA,I4_1/amd,A2BC2_tI20_141_e_a_c:Cl-O-Pd,10.0,A2BC2_tI20_141_e_a_c:Cl-O-Pd +mp-28175,Pd(SeCl3)2,-3.3734268311,-0.7886574172,0.0295541137,0.0295541137,GGA,C2/c,A6BC2_mC36_15_3f_e_f:Cl-Pd-Se,18.0,"Invalid WP multiplicities - A6BC2_mC36_15_4f_e_f:Cl-Pd-Se, expected Pd(SeCl4)2 to be Pd(SeCl3)2" +mp-1201579,BaFeCoPbO5,-6.9175959256,-1.8127731954,0.0402745513,0.0402745513,GGA+U,Pnma,ABCD5E_oP36_62_c_c_c_5c_c:Ba-Co-Fe-O-Pb,36.0,ABCD5E_oP36_62_c_c_c_5c_c:Ba-Co-Fe-O-Pb +mp-2716478,Na4Hf2(SiO4)3,-7.9903565725,-3.1884185793,0.0,-0.0234720891,GGA,R-3c,A2B4C12D3_hR126_167_c_be_2f_e:Hf-Na-O-Si,126.0,A2B4C12D3_hR126_167_c_be_2f_e:Hf-Na-O-Si +mp-1211250,Mg(MnGe)6,-6.6534935,-0.1680674283,0.0,-0.0271374508,GGA,P6/mmm,A6BC6_hP13_191_cde_a_i:Ge-Mg-Mn,13.0,A6BC6_hP13_191_cde_a_i:Ge-Mg-Mn +mp-2229141,Pr2MgMn2(GeO5)2,-7.8456159882,-2.6574356961000003,0.0656051933,0.0656051933,GGA+U,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Mn-O-Pr,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Mn-O-Pr +mp-2229749,Pr2MgMn2(GeO5)2,-7.8785196388,-2.6903393467,0.0327015427,0.0327015427,GGA+U,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Mn-O-Pr,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Mn-O-Pr +mp-2229194,Pr2MgMn2(GeO5)2,-7.7086903665,-2.5205100743,0.2025308151,0.2025308151,GGA+U,P-1,A2BC2D10E2_aP17_2_i_c_ab_5i_i:Ge-Mg-Mn-O-Pr,17.0,"Invalid WP multiplicities - A2BC2D10E2_aP17_2_i_c_ab_9i_i:Ge-Mg-Mn-O-Pr, expected Pr2MgMn2(GeO9)2 to be Pr2MgMn2(GeO5)2" +mp-1044891,MgMn(GeO3)2,-7.2991157553,-2.3302674233,0.0123729362,0.0123729362,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:Ge-Mg-Mn-O,40.0,A2BCD6_mP40_14_2e_e_e_6e:Ge-Mg-Mn-O +mp-1043454,MgMn(GeO3)2,-7.3024369015,-2.3335885695,0.00905179,0.00905179,GGA+U,C2/c,A2BCD6_mC40_15_f_e_e_3f:Ge-Mg-Mn-O,20.0,A2BCD6_mC40_15_f_e_e_3f:Ge-Mg-Mn-O +mp-20354,MgMnGe,-5.3299366633,-0.2014955976,0.0,-0.0001441062,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Mg-Mn,6.0,ABC_tP6_129_c_c_a:Ge-Mg-Mn +mp-2231275,MgMn2(GeO3)4,-7.2923547184,-2.146213319,0.0421426246,0.0421426246,GGA+U,C2,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mn-O,19.0,A4BC2D12_mC38_5_2c_a_ab_6c:Ge-Mg-Mn-O +mp-1211445,Mg2MnGe2,-1.921652384,2.4000738364,2.6208040036,2.6208040036,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Mg-Mn,5.0,A2B2C_tP5_123_g_g_a:Ge-Mg-Mn +mp-1222069,MgMnGeO4,-7.4499005443,-2.4253179668,0.0,-0.002560228,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:Ge-Mg-Mn-O,28.0,ABCD4_oP28_62_c_a_c_2cd:Ge-Mg-Mn-O +mp-1044531,PrMgMn2O6,-8.02314321,-2.5846083443,0.1061874908,0.1061874908,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Mg-Mn-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Mg-Mn-O-Pr, expected PrMgMn2O12 to be PrMgMn2O6" +mp-619064,PrMnGeO5,-8.0900730725,-2.6776490152,0.0,-0.0563708085,GGA+U,P-1,ABC5D_aP16_2_i_ab_5i_i:Ge-Mn-O-Pr,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_ab_9i_i:Ge-Mn-O-Pr, expected PrMnGeO9 to be PrMnGeO5" +mp-1327961,Mg3Mn2(GeO4)3,-7.141157589,-2.3234466473,0.1008327468,0.1008327468,GGA+U,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Mn-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:Ge-Mg-Mn-O +mp-988996,FeSbAs,-5.93498859,-0.1822749717,0.027786775,0.027786775,GGA,Pmn2_1,ABC_oP6_31_a_a_a:As-Fe-Sb,6.0,ABC_oP6_31_a_a_a:As-Fe-Sb +mp-1372141,Ca2FeSbO6,-7.148562398,-2.5195269502,0.0134684204,0.0134684204,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Fe-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_2e_a_4e6f_c:Ca-Fe-O-Sb, expected Ca2FeSbO16 to be Ca2FeSbO6" +mp-1042824,CaFeAs2O7,-7.0538042614,-2.1064698178,0.0086072407,0.0086072407,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Fe-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Fe-O +mp-1214001,CaFe2(AsO5)2,-6.9448794227,-1.7628283412,0.1449181881,0.1449181881,GGA+U,C2/m,A2BC2D10_mC30_12_i_a_f_3ij:As-Ca-Fe-O,15.0,A2BC2D10_mC30_12_i_a_e_3ij:As-Ca-Fe-O +mp-1196503,CaFe2(AsO5)2,-6.9567639637,-1.7747128822,0.1330336471,0.1330336471,GGA+U,Cccm,A2BC2D10_oC120_66_gl_ae_m_g3l3m:As-Ca-Fe-O,60.0,A2BC2D10_oC120_66_gl_ae_m_g3l3m:As-Ca-Fe-O +mp-1042781,Ca3Fe4(SbO4)6,-6.9628762932,-2.0063514016,0.1860002943,0.1860002943,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Ca-Fe-O-Sb,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_13i_5i:Ca-Fe-O-Sb, expected Ca3Fe4(Sb5O13)2 to be Ca3Fe4(SbO4)6" +mp-1368120,Ca3Fe2(SbO6)2,-6.9617206253,-2.1946096213,0.1192789349,0.1192789349,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Fe-O-Sb,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Fe-O-Sb +mp-1214233,Ca3Fe3(SbO6)2,-7.2905032295,-2.3382467152,0.0040918246,0.0040918246,GGA+U,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Fe-O-Sb,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Fe-O-Sb +mp-1013544,Ca3SbAs,-3.910329466,-0.949345609,0.1571986,0.1571986,GGA,Pm-3m,AB3C_cP5_221_b_c_a:As-Ca-Sb,5.0,AB3C_cP5_221_b_c_a:As-Ca-Sb +mp-1013738,Ca3SbAs,-3.430508728,-0.469524871,0.637019338,0.637019338,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Ca-Sb,5.0,AB3C_cP5_221_a_c_b:As-Ca-Sb +mp-1325009,CaFeAsO5,-7.1899504444,-2.206427563,0.054631535,0.054631535,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Fe-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Fe-O +mp-557398,CaFeSbAs2O7,-6.753496975,-1.8743569651,0.1442247213,0.1442247213,GGA+U,I4_1/a,A2BCD7E_tI192_88_2f_f_f_7f_f:As-Ca-Fe-O-Sb,96.0,"Invalid WP multiplicities - A2BCD7E_tI192_88_11f_f_f_51f_f:As-Ca-Fe-O-Sb, expected CaFeSbAs11O51 to be CaFeSbAs2O7" +mp-1047058,CaSbAsO5,-6.6429438363,-2.2020484511,0.0950141343,0.0950141343,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Ca-O-Sb,32.0,ABC5D_oP32_19_a_a_5a_a:As-Ca-O-Sb +mp-1047531,Ca3Fe3(AsO4)4,-7.1721390315,-2.2025099442,7.594100000000001e-06,7.594100000000001e-06,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Fe-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Fe-O, expected Ca3Fe3(As5O29)2 to be Ca3Fe3(AsO4)4" +mp-546321,Ba2NdBiO6,-6.982322426,-2.769650555,0.0,-0.084386632,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-Bi-Nd-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-Bi-Nd-O +mp-1518355,Ba2NdBiO6,-6.970882364,-2.758210493,0.011440062,-0.07294657,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Nd-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Nd-O +mp-1518570,Ba2NdBiO6,-6.959149429,-2.746477558,0.023172997,-0.061213635,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Nd-O +mp-1522954,BaNdNiBiO6,-6.737481229,-2.138693184,0.215222619,0.215222619,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Nd-Ni-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Nd-Ni-O +mp-1262309,CaCoSi2O7,-7.5408303977,-2.577978151,0.1759331521,0.1759331521,GGA+U,P2,ABC7D2_mP22_3_e_ad_bc6e_2e:Ca-Co-O-Si,22.0,"Invalid WP multiplicities - ABC7D2_mP22_3_e_ac_bd9e_3e:Ca-Co-O-Si, expected CaCoSi3O10 to be CaCoSi2O7" +mp-1341160,CaCoSi2O7,-7.5354425382,-2.5725902915,0.1813210117,0.1813210117,GGA+U,Cmm2,ABC7D2_oC44_35_d_c_abde2f_de:Ca-Co-O-Si,22.0,"Invalid WP multiplicities - ABC7D2_oC44_35_d_c_ab2d2e5f_d2e:Ca-Co-O-Si, expected CaCo(SiO5)3 to be CaCoSi2O7" +mp-1043607,CaCo(Si2O5)2,-8.0618455209,-3.0442157142,0.0329182648,0.0329182648,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Co-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Co-O-Si, expected CaCo(Si2O11)2 to be CaCo(Si2O5)2" +mp-1048770,CaBe3Co2(SiO4)3,-7.6763627842,-2.7679488465,0.1204376066,0.1204376066,GGA+U,P2_1/c,A3BC2D12E3_mP84_14_3e_e_2e_12e_3e:Be-Ca-Co-O-Si,84.0,"Invalid WP multiplicities - A3BC2D12E3_mP84_14_4e_e_2e_17e_3e:Be-Ca-Co-O-Si, expected CaBe4Co2Si3O17 to be CaBe3Co2(SiO4)3" +mp-6208,Ca2BeSi2O7,-7.8265855046,-3.3909130326,0.0003333881,0.0003333881,GGA,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Be-Ca-O-Si,24.0,AB2C7D2_tP24_113_a_e_cef_e:Be-Ca-O-Si +mp-1227218,CaBeSi,-4.0209084367,-0.297464845,0.0472234447,0.0472234447,GGA,P-6m2,ABC_hP3_187_a_d_e:Be-Ca-Si,3.0,ABC_hP3_187_a_d_e:Be-Ca-Si +mp-1227294,BeCo2Si,-6.345769855,-0.5004282338,0.07930595,-0.0572932844,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Be-Co-Si,4.0,AB2C_tP4_123_a_h_b:Be-Co-Si +mp-865901,BeCo2Si,-6.425075805,-0.5797341838,0.0,-0.1365992344,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Co-Si,4.0,AB2C_cF16_225_a_c_b:Be-Co-Si +mp-1018658,CaCoSi,-5.3551829567,-0.5087710550000001,0.0,-0.0156682717,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ca-Co-Si,6.0,ABC_tP6_129_c_a_c:Ca-Co-Si +mp-18894,CaCo(SiO3)2,-7.917340188,-2.9528715878,0.0097235252,0.0097235252,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Co-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Co-O-Si +mp-1041912,CaCo(SiO3)2,-7.8775804963,-2.913111896,0.049483217,0.049483217,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Co-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Co-O-Si, expected CaCoSi8O41 to be CaCo(SiO3)2" +mp-1214917,CaBe(SiO4)3,-6.5792233225,-1.7920920654,0.7414877765,0.7414877765,GGA,P2/c,ABC12D3_mP68_13_g_2e_12g_3g:Be-Ca-O-Si,68.0,ABC12D3_mP68_13_g_2e_12g_3g:Be-Ca-O-Si +mp-1227139,Ca5Co3(SiO4)4,-7.7146252693,-2.9931522591,0.0,-0.0008819264,GGA+U,P-1,A5B3C16D4_aP28_2_a2i_cfh_8i_2i:Ca-Co-O-Si,28.0,"Invalid WP multiplicities - A5B3C16D4_aP28_2_a4i_cfh_16i_4i:Ca-Co-O-Si, expected Ca9Co3(SiO4)8 to be Ca5Co3(SiO4)4" +mp-1070152,Ca(CoSi)2,-6.006297646,-0.59172334,0.0,-0.0543028595,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Co-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Co-Si +mp-1163930,Ca3Co2(SiO4)3,-7.6607354521,-2.8672527594,0.029898166,0.029898166,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Co-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Co-O-Si +mp-1227277,Be2CoSi,-5.1940276,-0.1909122112,0.1107113669,0.1107113669,GGA,F-43m,A2BC_cF16_216_ac_b_d:Be-Co-Si,4.0,A2BC_cF16_216_ac_b_d:Be-Co-Si +mp-1199429,Ca2CoSi2O7,-7.7777165873,-3.0613020378,0.0268651839,0.0268651839,GGA+U,P2_12_12,A2BC7D2_oP216_18_9c_a4c_b31c_9c:Ca-Co-O-Si,216.0,A2BC7D2_oP216_18_9c_a4c_b31c_9c:Ca-Co-O-Si +mp-18786,Ca2CoSi2O7,-7.7861252369,-3.0697106874,0.0184565343,0.0184565343,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ca-Co-O-Si,48.0,A2BC7D2_tP24_113_e_a_cef_e:Ca-Co-O-Si +mp-1256217,Ca3Co2(Si2O7)2,-7.7221875774,-2.8879115205,0.0576152088,0.0576152088,GGA+U,Cm,A3B2C14D4_mC46_8_ab_b_4a5b_2ab:Ca-Co-O-Si,23.0,"Invalid WP multiplicities - A3B2C14D4_mC46_8_ab_b_4a10b_2ab:Ca-Co-O-Si, expected Ca3Co2(SiO6)4 to be Ca3Co2(Si2O7)2" +mp-1249267,Ca3Co2(Si2O7)2,-7.7484519787,-2.9141759218,0.0313508075,0.0313508075,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Co-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Co-O-Si, expected Ca3CoSi5O27 to be Ca3Co2(Si2O7)2" +mp-1227278,CaCo3(SiO3)4,-7.913967429,-2.694362933,0.025131079,0.025131079,GGA+U,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Ca-Co-O-Si,20.0,AB3C12D4_mC40_5_a_a2b_6c_2c:Ca-Co-O-Si +mp-1196785,Ca6Co3Si6O5,-5.6463848878,-1.1141896677,0.7743040896000001,0.7743040896000001,GGA+U,P-4,A6B3C5D6_tP120_81_9h_ac4h_g7h_9h:Ca-Co-O-Si,120.0,A6B3C5D6_tP120_81_9h_ac4h_g7h_9h:Ca-Co-O-Si +mp-1248436,CaCo2(SiO3)4,-7.7911667689,-2.6709682361,0.1115230356,0.1115230356,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Co-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Co-O-Si +mp-1517332,BaSrPrTiO6,-7.8167422835,-3.2202424402,0.1269650205,0.1269650205,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_i_be:Ba-O-Pr-Sr-Ti,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_i_be:Ba-O-Pr-Sr-Ti, expected BaSrPrTiO12 to be BaSrPrTiO6" +mp-1517214,BaSrPrTiO6,-7.8134559685,-3.2169561253,0.1302513355,0.1302513355,GGA,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-Ti,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-Ti +mp-1517173,BaSrPrTiO6,-7.781138891,-3.1846390478,0.162568413,0.162568413,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-Ti,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-Ti +mp-1521301,NaEuTiSnO6,-8.015826607,-2.6993542837,0.1400547464,0.1400547464,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sn-Ti +mp-1519079,EuTi4SnO12,-8.8187977244,-2.9738640435,0.179084995,0.179084995,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Eu-O-Sn-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Eu-O-Sn-Ti, expected EuTi4SnO18 to be EuTi4SnO12" +mp-650954,LaFe5(GeO5)3,-7.7210324921,-2.0812188509,0.0282782899,0.0282782899,GGA+U,Cmce,A5B3CD15_oC192_64_f2g_dg_e_e2f6g:Fe-Ge-La-O,96.0,"Invalid WP multiplicities - A5B3CD15_oC192_64_3f9g_2d3g_e_4e7f42g:Fe-Ge-La-O, expected LaFe21Ge8O95 to be LaFe5(GeO5)3" +mp-19980,LaFeGe2O7,-7.6904114455,-2.4832382633,0.0,-0.0097844338,GGA+U,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Fe-Ge-La-O,44.0,"Invalid WP multiplicities - AB2CD7_mP44_14_e_5e_e_7e:Fe-Ge-La-O, expected LaFeGe5O7 to be LaFeGe2O7" +mp-21270,LiFe(GeO3)2,-7.0026945035,-2.0721812981,0.0,-0.0071843211,GGA+U,P2_1/c,AB2CD6_mP40_14_e_2e_e_6e:Fe-Ge-Li-O,40.0,AB2CD6_mP40_14_e_2e_e_6e:Fe-Ge-Li-O +mp-22173,LiFe(GeO3)2,-6.995982033,-2.0654688276,0.0067124705,-0.0004718506,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Fe-Ge-Li-O,20.0,"Invalid WP multiplicities - AB2CD6_mC40_15_e_f_e_10f:Fe-Ge-Li-O, expected LiFe(GeO10)2 to be LiFe(GeO3)2" +mp-1188169,LiFe(GeO3)2,-6.9951850805,-2.0646718751,0.007509423,0.0003251019,GGA+U,C2/c,AB2CD6_mC40_15_e_f_e_3f:Fe-Ge-Li-O,20.0,AB2CD6_mC40_15_e_f_e_3f:Fe-Ge-Li-O +mp-1013849,Li3Fe2(GeO4)3,-6.6090497952,-1.8142418393,0.1326260889,0.1326260889,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Li-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Fe-Ge-Li-O +mp-1210923,Li2FeGeO4,-6.7296654412,-2.1424592358,0.0,-0.0298525175,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Fe-Ge-Li-O,32.0,ABC2D4_oP16_31_a_a_b_2ab:Fe-Ge-Li-O +mp-10824,ZnCu2GeSe4,-4.1028757675,-0.594771928,0.0039360237,0.0039360237,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-Se-Zn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-Se-Zn +mp-1215417,ZnCu2Ge(SeS)2,-4.3136357506,-0.6453973139,0.0053576144,0.0053576144,GGA,Pmn2_1,A2BC2D2E_oP16_31_b_a_2a_b_a:Cu-Ge-S-Se-Zn,16.0,A2BC2D2E_oP16_31_b_a_2a_b_a:Cu-Ge-S-Se-Zn +mp-1215643,ZnCu2Ge(SeS)2,-4.3045101388,-0.636271702,0.0144832263,0.0144832263,GGA,Fmm2,A2BC2D2E_oF32_42_b_a_c_d_a:Cu-Ge-S-Se-Zn,8.0,A2BC2D2E_oF32_42_b_a_c_d_a:Cu-Ge-S-Se-Zn +mp-1105527,ZnCu2GeS4,-4.5245714794000005,-0.6961984453000001,0.0028652444,-0.0017799462,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Ge-S-Zn,16.0,A2BC4D_oP16_31_b_a_2ab_a:Cu-Ge-S-Zn +mp-6408,ZnCu2GeS4,-4.5274367238,-0.6990636897,0.0,-0.0046451905,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-S-Zn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Ge-S-Zn +mp-1518128,Eu2TiInO6,-9.054481303,-2.9703501416,0.1081528554,0.1081528554,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-In-O-Ti,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-In-O-Ti +mp-1519071,SrEuTi4O12,-8.7652672056,-3.0492267692,0.1488858816,0.1488858816,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Eu-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Eu-O-Sr-Ti, expected SrEuTi4O16 to be SrEuTi4O12" +mp-1519580,SrEuTiInO6,-8.143656965,-2.9162766382000003,0.1559789699,0.1559789699,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-In-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-In-O-Sr-Ti +mp-1519054,NaNdTi4O12,-8.2958512322,-2.9051342696,0.1703950503,0.1703950503,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Na-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Na-Nd-O-Ti, expected NaNdTi4O16 to be NaNdTi4O12" +mp-6119,Na2Nd2Ti3O10,-8.38205352,-3.362364778,0.0318962537,0.0318962537,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:Na-Nd-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_2c2eg_ae:Na-Nd-O-Ti, expected Na2Nd2Ti3O12 to be Na2Nd2Ti3O10" +mp-20980,NaNdTiO4,-8.1633988629,-3.3386960646,0.005789103,0.005789103,GGA,P4/nmm,ABC4D_tP14_129_c_c_2cf_c:Na-Nd-O-Ti,14.0,ABC4D_tP14_129_c_c_2cf_c:Na-Nd-O-Ti +mp-1222338,LiTiAlO4,-7.9902806636,-3.227888441,0.0358861139,0.0358861139,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Al-Li-O-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Al-Li-O-Ti, expected LiTiAlO8 to be LiTiAlO4" +mp-1520817,PrEuHfFeO6,-9.466188431,-3.1516634248,0.1047363353,0.1047363353,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Pr +mp-1193263,BaMn2FeSi2O9,-8.2808417673,-2.675251021,0.0264181267,0.0264181267,GGA+U,C2/m,ABC2D9E2_mC60_12_i_i_abh_3i3j_j:Ba-Fe-Mn-O-Si,30.0,ABC2D9E2_mC60_12_i_i_abh_3i3j_j:Ba-Fe-Mn-O-Si +mp-1249697,Mn2Fe3(SiO4)3,-8.344682195,-2.376166553,0.1041330804,0.1041330804,GGA+U,I4_1/acd,A3B2C12D3_tI160_142_be_c_3g_ae:Fe-Mn-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_tI160_142_2b3e_c_31g_3a4e:Fe-Mn-O-Si, expected Mn2Fe8Si11O124 to be Mn2Fe3(SiO4)3" +mp-555470,Mn2Fe3(SiO4)3,-8.3197343444,-2.3512187024,0.129080931,0.129080931,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Fe-Mn-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Fe-Mn-O-Si +mp-1210841,Mn2Fe5(SiO3)8,-8.3691990269,-2.656450054,0.0342414321,0.0342414321,GGA+U,Pnnm,A5B2C24D8_oP78_58_aef_f_2g5h_2h:Fe-Mn-O-Si,78.0,A5B2C24D8_oP78_58_aef_f_2g5h_2h:Fe-Mn-O-Si +mp-1228385,BaMn3Fe3O11,-8.0378110631,-1.9695521592,0.0281820883,0.0281820883,GGA+U,Cmc2_1,AB3C3D11_oC72_36_a_3a_ab_5a3b:Ba-Fe-Mn-O,36.0,"Invalid WP multiplicities - AB3C3D11_oC72_36_a_5a_2a3b_10a11b:Ba-Fe-Mn-O, expected BaMn8Fe5O32 to be BaMn3Fe3O11" +mp-1221755,MnFeSiO4,-8.5556060921,-2.4350190383,0.0135368975,0.0135368975,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Mn-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Fe-Mn-O-Si +mp-1228499,BaMn2Fe4O11,-7.9448038572,-1.914989069,0.0295695329,0.0295695329,GGA+U,Cc,AB4C2D11_mC72_9_a_4a_2a_11a:Ba-Fe-Mn-O,36.0,"Invalid WP multiplicities - AB4C2D11_mC72_9_a_6a_4a_22a:Ba-Fe-Mn-O, expected BaMn4(Fe3O11)2 to be BaMn2Fe4O11" +mp-558695,Ba2Mn2Si2O9,-8.1108889923,-2.9420346639,0.0,-0.0006225358,GGA+U,Pbca,A2B2C9D2_oP120_61_2c_2c_9c_2c:Ba-Mn-O-Si,120.0,"Invalid WP multiplicities - A2B2C9D2_oP120_61_9c_5c_63c_11c:Ba-Mn-O-Si, expected Ba9Mn5Si11O63 to be Ba2Mn2Si2O9" +mp-672226,BaMnSi2,-5.5967028712,-0.1137962982,0.2963459756,0.2963459756,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ba-Mn-Si,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_6c:Ba-Mn-Si, expected BaMnSi6 to be BaMnSi2" +mp-6239,Mn3Fe2(SiO4)3,-8.5016285572,-2.4985132112,0.0330514887,0.0330514887,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Fe-Mn-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Fe-Mn-O-Si +mp-1196057,BaMn2Si2O7,-8.4120508594,-2.9353456458,0.0,-0.0029226631,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Mn-O-Si,48.0,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Mn-O-Si +mp-1210713,Mn13Fe(SiO11)2,-8.6710205979,-2.1643361844,0.0664261493,0.0664261493,GGA+U,P-3m1,AB13C22D2_hP38_164_a_befi_cd3i_d:Fe-Mn-O-Si,38.0,AB13C22D2_hP38_164_a_befi_cd3i_d:Fe-Mn-O-Si +mp-767657,Li4Ti2Nb3Co3O16,-8.0932174311,-2.5859830245,0.0866001399,0.0866001399,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Nb-O-Ti, expected Li4Ti2Nb3Co3O20 to be Li4Ti2Nb3Co3O16" +mp-776073,Li4Ti3Nb2Co3O16,-8.1195641634,-2.6911087933,0.0208262379,0.0208262379,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Nb-O-Ti,56.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_2a2b_4a_2a_8a4b_ab:Co-Li-Nb-O-Ti, expected Li4Ti3Nb2(Co3O8)2 to be Li4Ti3Nb2Co3O16" +mp-752786,Ti3Co3(TeO8)2,-7.5104570029,-2.0752461445,0.1008467085,0.1008467085,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Co-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Co-O-Te-Ti, expected Ti3Co3(TeO10)2 to be Ti3Co3(TeO8)2" +mp-850363,Ti2Co3Te3O16,-7.0828372075,-1.8456341042,0.1211693789,0.1211693789,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Co-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Co-O-Te-Ti, expected Ti2Co3Te3O20 to be Ti2Co3Te3O16" +mp-753426,Li4Ti3Co3(TeO8)2,-7.2312562246,-2.2998007936,0.0386893654,0.0386893654,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Te-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Co-Li-O-Te-Ti, expected Li4Ti3Co3(TeO10)2 to be Li4Ti3Co3(TeO8)2" +mp-27608,Be4TeO7,-6.9671851333,-2.5732036057,0.0,-0.0566638513,GGA,F-43m,A4B7C_cF48_216_e_cf_a:Be-O-Te,12.0,A4B7C_cF48_216_e_cf_a:Be-O-Te +mp-1134064,Be3Fe4Si3TeO12,-7.9091161126,-2.5231227233,0.0084884486,0.0084884486,GGA+U,Cc,A3B4C12D3E_mC92_9_3a_4a_12a_3a_a:Be-Fe-O-Si-Te,46.0,A3B4C12D3E_aP46_1_6a_8a_24a_6a_2a:Be-Fe-O-Si-Te +mp-704630,Be3Fe4Si3TeO12,-7.7291584665,-2.3431650772,0.1884460947,0.1884460947,GGA+U,P-43n,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Fe-O-Si-Te,46.0,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Fe-O-Si-Te +mp-1199517,Pr7Si5Ni2,-5.7761154518,-0.6223151807,0.0,-0.0024370251,GGA,Pnma,A2B7C5_oP56_62_2c_7c_5c:Ni-Pr-Si,56.0,A2B7C5_oP56_62_2c_7c_5c:Ni-Pr-Si +mp-4439,Pr(SiNi)2,-6.202950604,-0.764587569,0.0,-0.0847622774,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Pr-Si,5.0,A2BC2_tI10_139_d_a_e:Ni-Pr-Si +mp-569462,Pr15Si10Ni7,-5.8139375827,-0.6130712269,0.0,-0.0129498497,GGA,P6_3/m,A7B15C10_hP64_176_b2h_5h_c3h:Ni-Pr-Si,64.0,"Invalid WP multiplicities - A7B15C10_hP64_176_b5h_26h_2c13h:Ni-Pr-Si, expected Pr78Si41Ni16 to be Pr15Si10Ni7" +mp-1219833,Pr3Si3Ni,-5.88137346,-0.6815437407,0.01522721,0.01522721,GGA,Imm2,AB3C3_oI14_44_a_a2b_a2b:Ni-Pr-Si,7.0,AB3C3_oI14_44_a_a2b_a2b:Ni-Pr-Si +mp-1190679,PrSi2Ni9,-6.0973764292,-0.4596454346,0.0,-0.0587600811,GGA,I4_1/amd,A9BC2_tI48_141_ai_b_c:Ni-Pr-Si,24.0,A9BC2_tI48_141_ai_b_c:Ni-Pr-Si +mp-1220056,Pr6Si3Ni2,-5.59355422,-0.4552213127,0.0732318021,0.0732318021,GGA,Pm,A2B6C3_mP22_6_2ac_6a6b_2a4b:Ni-Pr-Si,22.0,A2B6C3_mP22_6_2ac_6a6b_2a4b:Ni-Pr-Si +mp-648256,Pr14Si11Ni6,-5.8188691858,-0.6159014768000001,0.028794161,0.028794161,GGA,C2/m,A6B14C11_mC124_12_6i_ad13i_11i:Ni-Pr-Si,62.0,"Invalid WP multiplicities - A6B14C11_mC124_12_10i_ad26i_19i:Ni-Pr-Si, expected Pr27Si19Ni10 to be Pr14Si11Ni6" +mp-1206335,PrSiNi,-6.0133910983,-0.6846042767,0.0,-0.0115426798,GGA,I4_1md,ABC_tI12_109_a_a_a:Ni-Pr-Si,6.0,ABC_tI12_109_a_a_a:Ni-Pr-Si +mp-5493,PrSi2Ni,-6.1271077112,-0.7741880875,0.0,-0.0880110694,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Ni-Pr-Si,8.0,ABC2_oC16_63_c_c_2c:Ni-Pr-Si +mp-1191765,Pr3(SiNi3)2,-5.9503758855,-0.5072692123,0.0087478343,0.0087478343,GGA,Im-3m,A6B3C2_cI44_229_h_e_c:Ni-Pr-Si,22.0,A6B3C2_cI44_229_h_e_c:Ni-Pr-Si +mp-505307,Na2Si4NiO10,-7.5147201685,-2.8327586097,0.0054010168,0.0054010168,GGA+U,P-1,A2BC10D4_aP34_2_2i_i_10i_4i:Na-Ni-O-Si,34.0,A2BC10D4_aP34_2_2i_i_10i_4i:Na-Ni-O-Si +mp-650277,Pr6Si4Ni7,-5.9415290219,-0.5975488213,0.0,-0.0276806937,GGA,Pbcm,A7B6C4_oP68_57_d3e_cd2e_2e:Ni-Pr-Si,68.0,"Invalid WP multiplicities - A7B6C4_oP68_57_4d16e_4c4d11e_9e:Ni-Pr-Si, expected Pr5(SiNi2)3 to be Pr6Si4Ni7" +mp-1219858,Pr2Si3Ni,-5.8991878933,-0.6295375133000001,0.1218865304,0.1218865304,GGA,P-6m2,AB2C3_hP6_187_a_i_bcd:Ni-Pr-Si,6.0,AB2C3_hP6_187_a_i_bcd:Ni-Pr-Si +mp-1078410,Ba2ZnTeO6,-6.160366103,-2.3682529379,0.0,-0.0435978102,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Te-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Te-Zn +mp-1190380,Ba2ZnTe3,-3.9578138575,-1.5365453292,0.0272254542,0.0272254542,GGA,Pnma,A2B3C_oP24_62_2c_3c_c:Ba-Te-Zn,24.0,A2B3C_oP24_62_2c_3c_c:Ba-Te-Zn +mp-14448,Ba2SiTe4,-4.4223834721,-1.3028846888,0.0,-0.0390119293,GGA,P2_1/m,A2BC4_mP14_11_2e_e_2ef:Ba-Si-Te,14.0,"Invalid WP multiplicities - A2BC4_mP14_11_2e_e_2e2f:Ba-Si-Te, expected Ba2SiTe6 to be Ba2SiTe4" +mp-1191811,BaZnTe2O7,-5.9880359582,-1.9796585659,0.0,-0.0083483792,GGA,Ama2,AB7C2D_oC44_40_b_a2b2c_2b_b:Ba-O-Te-Zn,22.0,AB7C2D_oC44_40_b_a2b2c_2b_b:Ba-O-Te-Zn +mp-543034,Ba3Zn6Si4TeO20,-6.6599949374000005,-2.6278261515,0.0,-0.003277511,GGA,C2/m,A3B20C4DE6_mC68_12_ai_2i4j_j_b_hj:Ba-O-Si-Te-Zn,34.0,A3B20C4DE6_mC68_12_ai_2i4j_j_b_hj:Ba-O-Si-Te-Zn +mp-1201300,ReRhBr6N5Cl,-4.1240494261,1.0658088825,1.6129383331,1.6129383331,GGA,P-1,A6BC5DE_aP56_2_12i_2i_10i_2i_2i:Br-Cl-N-Re-Rh,56.0,A6BC5DE_aP56_2_12i_2i_10i_2i_2i:Br-Cl-N-Re-Rh +mp-1209811,ReRhN5Cl7,-4.4107950779,0.9057096579,1.6072468613000002,1.6072468613000002,GGA,P2_1/m,A7B5CD_mP56_11_8e3f_4e3f_2e_2e:Cl-N-Re-Rh,56.0,A7B5CD_mP56_11_8e3f_4e3f_2e_2e:Cl-N-Re-Rh +mp-1041309,BaZnAgF7,-4.5025191575,-2.5633564249000003,0.0,-0.0003954842,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ag-Ba-F-Zn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ag-Ba-F-Zn, expected BaZnAgF23 to be BaZnAgF7" +mp-1188802,CuAgF3,-4.0972582215,-1.5640183063,0.0173620945,0.0173620945,GGA,P-1,ABC3_aP20_2_2i_abeh_6i:Ag-Cu-F,20.0,ABC3_aP20_2_2i_abeh_6i:Ag-Cu-F +mp-998414,CuAgF3,-4.079691454,-1.5464515388,0.034928862,0.034928862,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ag-Cu-F,5.0,ABC3_cP5_221_a_b_c:Ag-Cu-F +mp-998422,CuAgF3,-4.101862777,-1.5686228618,0.012757539,0.012757539,GGA,R-3c,ABC3_hR30_167_a_b_e:Ag-Cu-F,10.0,ABC3_hR30_167_a_b_e:Ag-Cu-F +mp-1045718,Ba2ZnCuAg2F14,-4.5217357190000005,-2.4405998334,0.0442665807,0.0442665807,GGA,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ag-Ba-Cu-F-Zn,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ag-Ba-Cu-F-Zn, expected Ba2ZnCuAg2F48 to be Ba2ZnCuAg2F14" +mp-1217589,TbCuNi4,-5.6176206833,-0.3086007683,0.0,-0.00283717,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Cu-Ni-Tb,6.0,AB4C_hP6_187_a_ck_e:Cu-Ni-Tb +mp-1217570,TbCu2Ni3,-5.315613305,-0.2867483917,0.0,-0.0080549942,GGA,P6/mmm,A2B3C_hP6_191_c_g_a:Cu-Ni-Tb,6.0,A2B3C_hP6_191_c_g_a:Cu-Ni-Tb +mp-1518616,NaSrHfSbO6,-7.587660414,-2.9098262856,0.0277488285,0.0277488285,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Hf-Na-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Hf-Na-O-Sb-Sr +mp-1188264,La5Cu4As4(ClO2)2,-6.5317863658,-2.1529882611,0.0,-0.0023329474,GGA,I4/mmm,A4B2C4D5E4_tI38_139_2e_e_g_a2e_g:As-Cl-Cu-La-O,19.0,A4B2C4D5E4_tI38_139_2e_e_g_a2e_g:As-Cl-Cu-La-O +mp-1211261,La3Cu4(As2O)2,-6.0743947569,-1.4794179079,0.0,-0.0437533101,GGA,I4/mmm,A4B4C3D2_tI26_139_2e_g_ae_d:As-Cu-La-O,13.0,A4B4C3D2_tI26_139_2e_g_ae_d:As-Cu-La-O +mp-555073,La3As2ClO7,-7.7385233485,-3.0768605974,0.0,-0.0398165881,GGA,P4_2/mnm,A2BC3D7_tP52_136_i_f_gi_dik:As-Cl-La-O,52.0,"Invalid WP multiplicities - A2BC3D7_tP52_136_i_f_3g3i_2d7i6k:As-Cl-La-O, expected La9As2ClO40 to be La3As2ClO7" +mp-1522084,BaHfInSbO6,-7.488570489,-2.6448723683,0.1864485573,0.1864485573,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-In-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-In-O-Sb +mp-1206536,Ba2InSbO6,-6.577128483,-2.5372517712,0.0,-0.0317446711,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Sb +mp-1228129,Ba4InSbO8,-6.547581365,-2.6811460493,0.0,-0.06188654,GGA,Cmmm,A4BC8D_oC28_65_gh_a_ghn_c:Ba-In-O-Sb,14.0,"Invalid WP multiplicities - A4BC8D_oC28_65_2gh_a_2ghn_c:Ba-In-O-Sb, expected Ba6InSbO10 to be Ba4InSbO8" +mp-1218805,Sr2LaGa11O20,-6.6818405444,-2.5477868831,0.0150241775,0.0150241775,GGA,Cm,A11BC20D2_mC68_8_a5b_a_4a8b_2a:Ga-La-O-Sr,34.0,"Invalid WP multiplicities - A11BC20D2_mC68_8_a7b_a_4a12b_2a:Ga-La-O-Sr, expected Sr2LaGa15O28 to be Sr2LaGa11O20" +mp-1218197,SrLaGa3O7,-7.0558350167,-2.8611175496,0.0,-0.0152951279,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Ga-La-O-Sr,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Ga-La-O-Sr, expected SrLaGa5O19 to be SrLaGa3O7" +mp-1218226,SrLaGaCuO5,-6.9211146806,-2.6448650353,0.0363784832,0.0363784832,GGA,Cm,ABCD5E_mC36_8_b_2a_b_2a4b_b:Cu-Ga-La-O-Sr,18.0,"Invalid WP multiplicities - ABCD5E_mC36_8_b_2a_b_2a8b_b:Cu-Ga-La-O-Sr, expected SrLaGaCuO9 to be SrLaGaCuO5" +mp-1173173,SrLaGaCuO5,-6.9306968561,-2.6544472109,0.0267963076,0.0267963076,GGA,Cc,ABCD5E_mC36_9_a_a_a_5a_a:Cu-Ga-La-O-Sr,18.0,"Invalid WP multiplicities - ABCD5E_mC36_9_a_a_a_10a_a:Cu-Ga-La-O-Sr, expected SrLaGaCuO10 to be SrLaGaCuO5" +mp-1218152,SrLaGaO4,-7.3155997514,-3.109835262,0.0501973922,0.0501973922,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Ga-La-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Ga-La-O-Sr +mp-1218758,Sr2LaGaO5,-7.1200502289,-3.1115464966,0.0301960106,0.0301960106,GGA,Fmmm,ABC5D2_oF72_69_g_h_cno_fi:Ga-La-O-Sr,18.0,"Invalid WP multiplicities - ABC5D2_oF72_69_g_h_c2n2o_fi:Ga-La-O-Sr, expected Sr2LaGaO9 to be Sr2LaGaO5" +mp-541332,Sr2LaGaCu2O7,-6.6489591327,-2.4821649517,0.013768458,0.013768458,GGA,Ima2,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-La-O-Sr,26.0,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-La-O-Sr +mp-2226817,Dy2Mg(CuO2)4,-6.4088322027,-1.9565528627,0.2906306353,0.2906306353,GGA,I-4,A4B2CD8_tI30_82_g_ac_b_2g:Cu-Dy-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_tI30_82_g_ac_b_3g:Cu-Dy-Mg-O, expected Dy2Mg(CuO3)4 to be Dy2Mg(CuO2)4" +mp-6691,Ba2Dy(CuO2)4,-6.3559718187,-2.0616336127,0.0,-0.0158227268,GGA,Cmmm,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Dy-O,15.0,A2B4CD8_oC30_65_g_2h_a_g3h:Ba-Cu-Dy-O +mp-1214524,Ba4Dy(CuO3)3,-6.4562731771,-2.3915375882,0.0,-0.0124723425,GGA,Pm-3n,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Dy-O,34.0,A4B3CD9_cP34_223_e_b_a_cf:Ba-Cu-Dy-O +mp-622105,Ba2DyCu3O7,-6.4490010438,-2.1898335278,0.0304161612,0.0304161612,GGA,Pmmm,A2B3CD7_oP13_47_k_cj_f_aijl:Ba-Cu-Dy-O,13.0,"Invalid WP multiplicities - A2B3CD7_oP13_47_k_cj_f_a2i2j2l:Ba-Cu-Dy-O, expected Ba2DyCu3O13 to be Ba2DyCu3O7" +mp-2232919,Ba2DyMg(CuO2)4,-6.08591151,-1.9599519387,0.2363991871,0.2363991871,GGA,Pm,A2B4CDE8_mP16_6_2a_4b_a_b_2a6b:Ba-Cu-Dy-Mg-O,16.0,A2B4CDE8_mP16_6_2a_4b_a_b_2a6b:Ba-Cu-Dy-Mg-O +mp-2233040,Ba2DyMg(CuO2)4,-6.1189349381,-1.9929753669,0.203375759,0.203375759,GGA,P2/m,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Dy-Mg-O,16.0,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Dy-Mg-O +mp-22550,BaDy2CuO5,-7.5269181231,-3.0863404735,0.0272846431,0.0272846431,GGA,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Dy-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Cu-Dy-O +mp-1205987,Dy2MgCu2,-4.038151109,-0.235697695,0.0,-0.0294282883,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Cu-Dy-Mg,10.0,A2B2C_tP10_127_g_h_a:Cu-Dy-Mg +mp-13225,DyMg2Cu9,-3.8985569775,-0.17353973,0.0,-0.0067538717,GGA,P6_3/mmc,A9BC2_hP24_194_abck_d_f:Cu-Dy-Mg,24.0,"Invalid WP multiplicities - A9BC2_hP24_194_2a2b2c6k_d_f:Cu-Dy-Mg, expected Dy(MgCu21)2 to be DyMg2Cu9" +mp-1518988,NdEuZrFeO6,-9.218257674,-3.04595734,0.1662154763,0.1662154763,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-Nd-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-Nd-O-Zr +mp-1228279,Ba3NaSr(SbO4)3,-6.558891041,-2.5330804499,0.02794383,0.02794383,GGA,Cmme,A3BC12D3E_oC80_67_cde_g_ab2g2o_gl_f:Ba-Na-O-Sb-Sr,40.0,"Invalid WP multiplicities - A3BC12D3E_oC80_67_cde_g_2a2b3g2o_gl_f:Ba-Na-O-Sb-Sr, expected Ba3NaSr(SbO5)3 to be Ba3NaSr(SbO4)3" +mp-1097658,BaNa2Sr,-0.5972277425,0.9661520026,0.9766507652,0.9766507652,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Na-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Na-Sr +mp-1227913,BaNaSr3(SbO4)3,-6.5524673025,-2.5496048601,0.0325594201,0.0325594201,GGA,C222_1,ABC12D3E3_oC80_20_a_b_2a5c_bc_ac:Ba-Na-O-Sb-Sr,40.0,"Invalid WP multiplicities - ABC12D3E3_oC80_20_a_b_2a7c_bc_ac:Ba-Na-O-Sb-Sr, expected BaNaSr3Sb3O16 to be BaNaSr3(SbO4)3" +mp-1228553,Ba2NaSr2(SbO4)3,-6.554753578,-2.5404170612,0.0324333801,0.0324333801,GGA,Cmce,A2BC12D3E2_oC80_64_f_a_ef2g_bc_e:Ba-Na-O-Sb-Sr,40.0,A2BC12D3E2_oC80_64_f_a_ef2g_bc_e:Ba-Na-O-Sb-Sr +mp-1228577,Ba2NaSr2(SbO4)3,-6.5460867095,-2.5317501927,0.0411002486,0.0411002486,GGA,P-4n2,A2BC12D3E2_tP40_118_f_a_cde2i_bh_g:Ba-Na-O-Sb-Sr,40.0,A2BC12D3E2_tP40_118_f_a_cde2i_bh_g:Ba-Na-O-Sb-Sr +mp-1516901,SrEuBiSbO6,-7.439914118,-2.4803023289,0.0142809863,0.0142809863,GGA,P-1,ABC6DE_aP20_2_ah_i_6i_be_i:Bi-Eu-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_ah_i_12i_be_i:Bi-Eu-O-Sb-Sr, expected SrEuBiSbO12 to be SrEuBiSbO6" +mp-1517078,SrEuBiSbO6,-7.3902648447,-2.4306530557,0.0639302596,0.0639302596,GGA,P222,ABC6DE_oP40_16_u_abch_6u_u_defg:Bi-Eu-O-Sb-Sr,40.0,ABC6DE_oP40_16_u_abch_6u_u_defg:Bi-Eu-O-Sb-Sr +mp-1516811,SrEuBiSbO6,-7.313578292,-2.3539665029,0.1406168123,0.1406168123,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-Eu-O-Sb-Sr +mp-1517831,Eu2BiSbO6,-8.2294181305,-2.4130555067,0.08070757,0.08070757,GGA,Pn-3,AB2C6D_cP40_201_b_ad_h_c:Bi-Eu-O-Sb,40.0,AB2C6D_cP40_201_b_ad_h_c:Bi-Eu-O-Sb +mp-1517851,Eu2BiSbO6,-8.13899586,-2.3226332363,0.1711298405,0.1711298405,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Eu-O-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Eu-O-Sb +mp-2217916,Ba2TbMgBiO6,-6.6397691809,-2.6767494148,0.2422845919,0.2422845919,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Bi-Mg-O-Tb,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Bi-Mg-O-Tb, expected Ba2TbMgBiO10 to be Ba2TbMgBiO6" +mp-2217805,Ba2TbMgBiO6,-6.56299466,-2.5999748939,0.3190591128,0.3190591128,GGA,C2/m,A2BCD6E_mC22_12_i_c_a_ij_b:Ba-Bi-Mg-O-Tb,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_12_i_c_b_i2j_a:Ba-Bi-Mg-O-Tb, expected Ba2TbMgBiO10 to be Ba2TbMgBiO6" +mp-2220769,Sr4MgIn2(SbO6)2,-6.3457603376,-2.4657656548,0.0994207253,0.0994207253,GGA,P1,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr,21.0,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr +mp-2220880,Sr4MgIn2(SbO6)2,-6.3187294881,-2.4387348053,0.1264515749,0.1264515749,GGA,P1,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr,21.0,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr +mp-2220672,Sr4MgIn2(SbO6)2,-6.3300221119,-2.4500274291,0.115158951,0.115158951,GGA,P1,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr,21.0,A2BC12D2E4_aP21_1_2a_a_12a_2a_4a:In-Mg-O-Sb-Sr +mp-1208897,Sr(MgIn)2,-2.351231108,-0.2725469053,0.0064262066,0.0064262066,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:In-Mg-Sr,5.0,A2B2C_tI10_139_e_d_a:In-Mg-Sr +mp-571443,SrMgIn3,-2.61227041,-0.3033054713,0.0,-0.0113106126,GGA,I-4m2,A3BC_tI10_119_af_b_c:In-Mg-Sr,5.0,A3BC_tI10_119_af_b_c:In-Mg-Sr +mp-1095971,Sr2MgIn,-0.682041745,1.2506959267,1.513676875,1.5114829371,GGA,Immm,ABC2_oI8_71_a_b_e:In-Mg-Sr,4.0,ABC2_oI8_71_a_b_e:In-Mg-Sr +mp-1187121,Sr2MgIn,-2.19571862,-0.2629809483,0.0,-0.0021939379,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Sr,4.0,ABC2_cF16_225_a_b_c:In-Mg-Sr +mp-1518061,Sr2InSbO6,-6.523831518,-2.5298511036,0.0174949473,0.0174949473,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:In-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:In-O-Sb-Sr +mp-649033,Sr5(InSb3)2,-3.8693263604,-0.8904923476000001,0.0,-0.0339123128,GGA,Pbam,A2B6C5_oP26_55_h_g2h_a2g:In-Sb-Sr,26.0,"Invalid WP multiplicities - A2B6C5_oP26_55_h_3g6h_2a6g:In-Sb-Sr, expected Sr7InSb9 to be Sr5(InSb3)2" +mp-1218786,Sr2Mg3In5,-2.484279236,-0.2904546653,0.010706168,0.010706168,GGA,P-4m2,A5B3C2_tP10_115_a2g_bcd_g:In-Mg-Sr,10.0,"Invalid WP multiplicities - A5B3C2_tP10_115_a4g_bcd_g:In-Mg-Sr, expected Sr2(MgIn3)3 to be Sr2Mg3In5" +mp-578752,Sr11InSb9,-3.8720715874,-1.0864943075,0.0,-0.062882222,GGA,Iba2,AB9C11_oI84_45_a_b4c_a5c:In-Sb-Sr,42.0,"Invalid WP multiplicities - AB9C11_oI84_45_a_2b14c_2a19c:In-Sb-Sr, expected Sr40InSb30 to be Sr11InSb9" +mp-555616,CaNb2Bi2O9,-7.4400756893,-2.1251195021,0.5505508849,0.5505508849,GGA,I4/mmm,A2BC2D9_tI28_139_e_a_e_bdeg:Bi-Ca-Nb-O,14.0,"Invalid WP multiplicities - A2BC2D9_tI28_139_e_a_e_bd2e2g:Bi-Ca-Nb-O, expected CaNb2Bi2O15 to be CaNb2Bi2O9" +mp-1223383,Na2CaNb4Bi2O15,-8.0206020402,-2.7315528921,0.0214600553,0.0214600553,GGA,Cmc2_1,A2BC2D4E15_oC96_36_b_a_b_2b_a7b:Bi-Ca-Na-Nb-O,48.0,A2BC2D4E15_oC96_36_b_a_b_2b_a7b:Bi-Ca-Na-Nb-O +mp-1042164,Ca2Nb2BiO8,-8.0407574173,-2.8386182896000003,0.1653964752,0.1653964752,GGA,C2/c,AB2C2D8_mC52_15_e_f_f_4f:Bi-Ca-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_15_e_f_f_5f:Bi-Ca-Nb-O, expected Ca2Nb2BiO10 to be Ca2Nb2BiO8" +mp-1221182,NaCa2Nb8(BiO4)9,-7.9016049648,-2.5660806586,0.0,-0.0111338788,GGA,Pm,A9B2CD8E36_mP56_6_a4c_2b_a_4c_2a2b16c:Bi-Ca-Na-Nb-O,56.0,"Invalid WP multiplicities - A9B2CD8E36_mP56_6_a6c_2b_a_6c_2a2b24c:Bi-Ca-Na-Nb-O, expected NaCa2Nb12(BiO4)13 to be NaCa2Nb8(BiO4)9" +mp-1221100,NaCaNb3(BiO6)2,-7.9721199616,-2.6735261148,0.0549420006,0.0549420006,GGA,I4mm,A2BCD3E12_tI38_107_2a_a_a_3a_4a4b:Bi-Ca-Na-Nb-O,19.0,"Invalid WP multiplicities - A2BCD3E12_tI38_107_2a_a_a_3a_4a5b:Bi-Ca-Na-Nb-O, expected NaCaNb3(BiO7)2 to be NaCaNb3(BiO6)2" +mp-1049223,LaZnCrSbO6,-7.291392178,-2.3255990087,0.2341023666,0.2341023666,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Cr-La-O-Sb-Zn,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Cr-La-O-Sb-Zn, expected LaZnCrSbO12 to be LaZnCrSbO6" +mp-1347006,Zn2CrSbO6,-6.5087739105,-1.9106070907,0.093493237,0.093493237,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Cr-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Cr-O-Sb-Zn, expected Zn2CrSbO16 to be Zn2CrSbO6" +mp-12515,LaZnSbO,-5.7997133075,-1.9818531409,0.0,-0.0802719949,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:La-O-Sb-Zn,8.0,ABCD_tP8_129_c_a_c_b:La-O-Sb-Zn +mp-1403373,La2ZnSbO6,-7.241071432,-2.7469822992,0.1889816514,0.1889816514,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:La-O-Sb-Zn,10.0,A2B6CD_hR30_148_c_f_a_b:La-O-Sb-Zn +mp-1207077,La2ZnSb3,-2.160861425,1.758932165,2.746854615,2.746854615,GGA,P4/mmm,A2B3C_tP6_123_g_ag_b:La-Sb-Zn,6.0,A2B3C_tP6_123_g_ag_b:La-Sb-Zn +mp-1223048,La2ZnSb4,-4.8578854714,-0.9082050743,0.0,-0.0443337091,GGA,P-4m2,A2B4C_tP7_115_g_abg_c:La-Sb-Zn,7.0,A2B4C_tP7_115_g_abg_c:La-Sb-Zn +mp-1223644,La2Mn3ZnO9,-8.110755509,-2.5682220358,0.2120354504,0.2120354504,GGA+U,Pnma,A2B3C9D_oP60_62_2c_ad_3c3d_c:La-Mn-O-Zn,60.0,"Invalid WP multiplicities - A2B3C9D_oP60_62_6c_4a5d_11c21d_c:La-Mn-O-Zn, expected La6Mn14ZnO53 to be La2Mn3ZnO9" +mp-1275611,La2MnZnO6,-7.898754498,-2.90136396,0.0705637311,0.0705637311,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mn-O-Zn,40.0,A2BC6D_hR30_148_c_a_f_b:La-Mn-O-Zn +mp-1173272,Sr2La2MnZnO8,-7.471849765,-2.9542590715,0.0582628184,0.0582628184,GGA+U,C2/m,A2BC8D2E_mC56_12_2i_i_ac7i_2i_i:La-Mn-O-Sr-Zn,28.0,"Invalid WP multiplicities - A2BC8D2E_mC56_12_4i_i_ad12i_3i_i:La-Mn-O-Sr-Zn, expected Sr3La4MnZnO13 to be Sr2La2MnZnO8" +mp-1986412,Sr2La2MnZnO8,-7.4165806282,-2.8989899347,0.1135319552,0.1135319552,GGA+U,C2/m,A2BC8D2E_mC112_12_4i_2i_abfh7i3j_2j_j:La-Mn-O-Sr-Zn,56.0,A2BC8D2E_tP14_123_g_a_efgh_h_d:La-Mn-O-Sr-Zn +mp-1218782,Sr2La2MnZnO8,-7.4750595495,-2.957468856,0.0550530339,0.0550530339,GGA+U,Amm2,A2BC8D2E_oC28_38_ab_a_2a2bf_ab_b:La-Mn-O-Sr-Zn,56.0,A2BC8D2E_oC28_38_ab_a_2a2bf_ab_b:La-Mn-O-Sr-Zn +mp-1302239,Sr2La2MnZnO8,-7.4229243759,-2.9053336824,0.1071882075,0.1071882075,GGA+U,Cmmm,A2BC8D2E_oC112_65_2o_2h_abcdghmn2opq_mn_ei:La-Mn-O-Sr-Zn,56.0,A2BC8D2E_tP14_123_g_a_efgh_h_d:La-Mn-O-Sr-Zn +mp-1303430,Sr2La2MnZnO8,-7.4205993132,-2.9030086197,0.1095132702,0.1095132702,GGA+U,Fmmm,A2BC8D2E_oF112_69_2i_ab_cdgh2ij_j_f:La-Mn-O-Sr-Zn,28.0,"Invalid WP multiplicities - A2BC8D2E_oF112_69_4i_ab_cdgh4ij_j_f:La-Mn-O-Sr-Zn, expected Sr2La4MnZnO10 to be Sr2La2MnZnO8" +mp-1218735,Sr2La2MnZnO8,-7.4238035632,-2.9062128697,0.1063090202,0.1063090202,GGA+U,P4/mmm,A2BC8D2E_tP14_123_g_a_efgh_h_d:La-Mn-O-Sr-Zn,56.0,A2BC8D2E_tP14_123_g_a_efgh_h_d:La-Mn-O-Sr-Zn +mp-1310183,Sr2La2MnZnO8,-7.4213696004,-2.9037789069,0.1087429831,0.1087429831,GGA+U,I4/mmm,A2BC8D2E_tI112_139_4e_2e_4ef2ghm_2g_cd:La-Mn-O-Sr-Zn,56.0,"Invalid WP multiplicities - A2BC8D2E_oF224_69_7i_2i_2c2d2g2h7i7jmn_7j_2e2f:La-Mn-O-Sr-Zn, expected Sr14La7Mn2Zn4O33 to be Sr2La2MnZnO8" +mp-1521819,NdEuHfTiO6,-9.804983358,-3.5491871033,0.1450414426,0.1450414426,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Nd-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Nd-O-Ti +mp-1521653,Eu2HfTiO6,-10.433767048,-3.6290853566,0.0169940925,0.0169940925,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Ti,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-Ti +mp-1189319,Sr2CrFeAsO3,-7.0991378606,-1.9739828449,0.1376312885,0.1376312885,GGA+U,P4/nmm,ABCD3E2_tP16_129_c_c_a_cf_2c:As-Cr-Fe-O-Sr,16.0,ABCD3E2_tP16_129_c_c_a_cf_2c:As-Cr-Fe-O-Sr +mp-570031,Sr(CrAs)2,-6.510354696,-0.4475896553,0.053767509,0.053767509,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Cr-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Cr-Sr +mp-556182,Ba7Ca2Mn3Cr2O20,-7.4650248638,-2.6659089997,0.0022746896,0.0022746896,GGA+U,R-3m,A7B2C2D3E20_hR102_166_a3c_c_c_bc_c3h:Ba-Ca-Cr-Mn-O,34.0,"Invalid WP multiplicities - A7B2C2D3E20_hR102_166_a5c_c_c_bc_c12h:Ba-Ca-Cr-Mn-O, expected Ba11Ca2Mn3Cr2O74 to be Ba7Ca2Mn3Cr2O20" +mp-2226697,Sr2MgMoO4,-6.4297995213,-1.9783405323,0.7512824834,0.7512824834,GGA+U,I-4m2,ABC4D2_tI16_119_c_a_ef_e:Mg-Mo-O-Sr,8.0,ABC4D2_tI16_119_c_a_ef_e:Mg-Mo-O-Sr +mp-2226766,Sr2MgMoO4,-6.48777609,-2.036317101,0.6933059147,0.6933059147,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Mg-Mo-O-Sr,8.0,ABC4D2_tI16_139_a_b_ce_e:Mg-Mo-O-Sr +mp-1272828,Sr2MnMoO6,-7.9214638265,-2.6147853689,0.0353744575,-0.0024800861,GGA+U,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Mn-Mo-O-Sr,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Mn-Mo-O-Sr +mp-555929,Sr2MnMoO6,-7.956838284,-2.6501598264,0.0,-0.0378545436,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Mn-Mo-O-Sr +mp-1279341,Sr2MnMoO6,-7.9319991715,-2.6253207139,0.0248391125,-0.0130154311,GGA+U,P4/m,ABC6D2_tP20_83_ad_bc_ghjk_i:Mn-Mo-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_tP20_83_ad_bc_2gh4j4k_i:Mn-Mo-O-Sr, expected Sr2MnMoO19 to be Sr2MnMoO6" +mp-705116,Sr2MnMoO6,-7.950498417,-2.6438199594,0.006339867,-0.0315146766,GGA+U,P4_2/n,ABC6D2_tP40_86_c_d_3g_abe:Mn-Mo-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_tP40_86_c_d_19g_2ab3e:Mn-Mo-O-Sr, expected Sr9Mn2(MoO38)2 to be Sr2MnMoO6" +mp-1095141,Sr2MnMoO6,-7.9500653765,-2.6433869189,0.0067729075,-0.0310816361,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Mn-Mo-O-Sr,20.0,ABC6D2_tI20_87_a_b_eh_d:Mn-Mo-O-Sr +mp-1218596,Sr6MgMo3O14,-7.497167005,-2.7668406276,0.0225187263,0.0225187263,GGA+U,Amm2,AB3C14D6_oC48_38_a_a2b_3a3b2f_3a3b:Mg-Mo-O-Sr,24.0,AB3C14D6_oC48_38_a_a2b_3a3b2f_3a3b:Mg-Mo-O-Sr +mp-2237662,SrMgMoO3,-6.4391000483,-1.6098517572,1.0037365996,1.0037365996,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Mo-O-Sr,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Mo-O-Sr +mp-2239917,SrMgMoO3,-6.7330567967,-1.9038085055,0.7097798512,0.7097798512,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Mo-O-Sr,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Mo-O-Sr +mp-2218779,MgMn2(MoO4)2,-8.32760375,-2.0822867851,0.1170090512,0.1170090512,GGA+U,P1,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mn-Mo-O,13.0,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mn-Mo-O +mp-2217329,Sr2MgMnMoO6,-7.45335911,-2.4836259622,0.1722549441,0.1722549441,GGA+U,P-1,ABCD6E2_aP11_2_a_c_d_3i_i:Mg-Mn-Mo-O-Sr,11.0,ABCD6E2_aP11_2_a_c_d_3i_i:Mg-Mn-Mo-O-Sr +mp-1026582,SrMg14Mo,-2.0211066144,0.1625849021,0.1973018371,0.1973018371,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Sr, expected SrMg18Mo to be SrMg14Mo" +mp-1026559,SrMg14Mo,-2.0151324044,0.1685591121,0.2032760471,0.2032760471,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Sr, expected SrMg26Mo to be SrMg14Mo" +mp-2217968,Sr2Mg(MoO3)2,-7.3916852182,-2.2688943596,0.337739753,0.337739753,GGA+U,C2/m,AB2C6D2_mC22_12_a_bc_ij_i:Mg-Mo-O-Sr,11.0,AB2C6D2_mC22_12_a_bc_ij_i:Mg-Mo-O-Sr +mp-2219849,Sr2Mg(MoO4)2,-7.6241041546,-2.5284059341000003,0.1713470169,0.1713470169,GGA+U,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Mo-O-Sr,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Mo-O-Sr +mp-1078539,Sr2MgMoO6,-7.415587566,-2.8650826326,0.0,-0.0390029075,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Mg-Mo-O-Sr,10.0,ABC6D2_tI20_87_a_b_eh_d:Mg-Mo-O-Sr +mp-1206730,Sr2MgMoO6,-7.407793759,-2.8572888256,0.007793807,-0.0312091005,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Mg-Mo-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Mg-Mo-O-Sr +mp-1016266,SrMg6Mo,-2.4249455725,0.3421574104,0.3903922675,0.3903922675,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Sr, expected SrMg12Mo to be SrMg6Mo" +mp-1016296,SrMg6Mo,-2.5539537275,0.2131492554,0.2613841125,0.2613841125,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Mo-Sr,8.0,A6BC_tP8_123_ej_b_d:Mg-Mo-Sr +mp-1214682,Ba6Gd2Al4O15,-8.1637840496,-3.3916089345,0.0,-0.0114401078,GGA,P2/c,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Gd-O,54.0,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Gd-O +mp-1214525,Ba5Gd2ZrAl2O13,-8.5753668304,-3.4408918428,0.0177147186,0.0177147186,GGA,P6_3/mmc,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Gd-O-Zr,46.0,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Gd-O-Zr +mp-1228388,Ba3TiNb4O15,-8.8371265133,-3.2606931365,0.0141230264,0.0141230264,GGA,Pc,A3B4C15D_mP46_7_3a_4a_15a_a:Ba-Nb-O-Ti,46.0,"Invalid WP multiplicities - A3B4C15D_mP46_7_4a_6a_25a_a:Ba-Nb-O-Ti, expected Ba4TiNb6O25 to be Ba3TiNb4O15" +mp-557072,Ba3TiNb4O15,-8.8426725102,-3.2662391335,0.0085770294,0.0085770294,GGA,P4bm,A3B4C15D_tP46_100_ac_d_bc3d_b:Ba-Nb-O-Ti,46.0,"Invalid WP multiplicities - A3B4C15D_tP46_100_2a2c_d_b3c19d_b:Ba-Nb-O-Ti, expected Ba6TiNb4O83 to be Ba3TiNb4O15" +mp-1228588,Ba2Ti3Nb4O18,-9.1190776448,-3.3053723525,0.0,-0.0001103265,GGA,P2_1/c,A2B4C18D3_mP54_14_e_2e_9e_ae:Ba-Nb-O-Ti,54.0,A2B4C18D3_mP54_14_e_2e_9e_ae:Ba-Nb-O-Ti +mp-1228174,Ba7Ti2Nb4O21,-8.4386766435,-3.3354562991,0.0017909497,0.0017909497,GGA,R-3m,A7B4C21D2_hR102_166_a3c_2c_e3h_c:Ba-Nb-O-Ti,34.0,A7B4C21D2_hR102_166_a3c_2c_e3h_c:Ba-Nb-O-Ti +mp-1522797,BaTiNbGaO6,-8.166716065,-2.9043160363,0.1413898153,0.1413898153,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ga-Nb-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ga-Nb-O-Ti +mp-1228557,Ba8Ti3Nb4O24,-8.4198982979,-3.3387694569,0.01844614,0.01844614,GGA,P3m1,A8B4C24D3_hP39_156_2a3b3c_ab2c_8d_2ab:Ba-Nb-O-Ti,39.0,A8B4C24D3_hP39_156_2a3b3c_ab2c_8d_2ab:Ba-Nb-O-Ti +mp-1216751,TiNbGaO6,-8.5603495089,-2.9264578037,0.0577982539,0.0577982539,GGA,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Ga-Nb-O-Ti,18.0,"Invalid WP multiplicities - ABC6D_tP18_102_a_a_12c_a:Ga-Nb-O-Ti, expected TiNbGaO24 to be TiNbGaO6" +mp-1228214,Ba4TiNb9O18,-9.0284081519,-2.9182977163,0.0040141322,0.0040141322,GGA,P4/mmm,A4B9C18D_tP32_123_2h_a2gi_ef2gh2i_b:Ba-Nb-O-Ti,32.0,"Invalid WP multiplicities - A4B9C18D_tP32_123_3h_a3gi_2e2f3gh7i_b:Ba-Nb-O-Ti, expected Ba6TiNb11O44 to be Ba4TiNb9O18" +mp-773061,Ba6Ti7Nb9O42,-9.0336568664,-3.3234230385,0.0,-0.0046734328,GGA,Cm,A6B9C42D7_mC128_8_2a2b_a4b_6a18b_3a2b:Ba-Nb-O-Ti,64.0,"Invalid WP multiplicities - A6B9C42D7_mC128_8_2a3b_a7b_6a36b_3a3b:Ba-Nb-O-Ti, expected Ba8Ti9Nb15O78 to be Ba6Ti7Nb9O42" +mp-2227802,Sr2MgTiO4,-6.8777523412,-2.795063114,0.2545378284,0.2545378284,GGA,Cm,AB4C2D_mC16_8_a_2ab_2a_a:Mg-O-Sr-Ti,8.0,AB4C2D_mC16_8_a_2ab_2a_a:Mg-O-Sr-Ti +mp-2227467,Sr2MgTiO4,-6.5915964775,-2.5089072502,0.5406936921000001,0.5406936921000001,GGA,I-4m2,AB4C2D_tI16_119_c_ef_e_a:Mg-O-Sr-Ti,8.0,AB4C2D_tI16_119_c_ef_e_a:Mg-O-Sr-Ti +mp-2228130,Sr2MgTiO4,-6.5943855937,-2.5116963665,0.5379045759000001,0.5379045759000001,GGA,I4/mmm,AB4C2D_tI16_139_a_ce_e_b:Mg-O-Sr-Ti,8.0,AB4C2D_tI16_139_a_ce_e_b:Mg-O-Sr-Ti +mp-2217331,Sr2MgTi2O6,-7.62834795,-3.041949472,0.2395142548,0.2395142548,GGA,P1,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Sr-Ti,11.0,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Sr-Ti +mp-2217575,Sr2MgTi2O6,-7.4924873318,-2.9060888539,0.375374873,0.375374873,GGA,C2/m,AB6C2D2_mC22_12_a_ghi_i_e:Mg-O-Sr-Ti,11.0,"Invalid WP multiplicities - AB6C2D2_mC22_12_a_g2hi_i_f:Mg-O-Sr-Ti, expected Sr2MgTi2O8 to be Sr2MgTi2O6" +mp-2229402,Sr4MgTi3O10,-7.7719751133,-3.2435519452,0.1015087391,0.1015087391,GGA,Pm,AB10C4D3_mP18_6_a_5a5b_a3b_2ab:Mg-O-Sr-Ti,18.0,AB10C4D3_mP18_6_a_5a5b_a3b_2ab:Mg-O-Sr-Ti +mp-2229779,Sr4MgTi3O10,-7.753535035,-3.2251118669,0.1199488174,0.1199488174,GGA,Cm,AB10C4D3_mC36_8_a_4a3b_4a_3a:Mg-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB10C4D3_mC36_8_a_4a4b_4a_3a:Mg-O-Sr-Ti, expected Sr4MgTi3O12 to be Sr4MgTi3O10" +mp-2229185,Sr4MgTi3O10,-7.6731682178,-3.1447450497,0.2003156346,0.2003156346,GGA,I-4m2,AB10C4D3_tI36_119_c_2e3f_2e_ae:Mg-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB10C4D3_tI36_119_c_2e5f_2e_ae:Mg-O-Sr-Ti, expected Sr4MgTi3O14 to be Sr4MgTi3O10" +mp-2229235,Sr4MgTi3O10,-7.6506571633,-3.1222339952,0.2228266891,0.2228266891,GGA,I4/mmm,AB10C4D3_tI36_139_a_c2eg_2e_be:Mg-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB10C4D3_tI36_139_a_c2e2g_2e_be:Mg-O-Sr-Ti, expected Sr4MgTi3O14 to be Sr4MgTi3O10" +mp-1216722,TiMoO4,-9.13313591,-2.7118197481,0.0506250692,0.0506250692,GGA+U,Cmmm,AB4C_oC12_65_a_gj_c:Mo-O-Ti,6.0,AB4C_oC12_65_a_gj_c:Mo-O-Ti +mp-1078580,Sr2TiMoO6,-8.229051396,-3.0490252659,0.0266255415,0.0266255415,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Mo-O-Sr-Ti,10.0,AB6C2D_tI20_87_a_eh_d_b:Mo-O-Sr-Ti +mp-1218376,Sr2TiMoO6,-8.219891325,-3.0398651949,0.0357856125,0.0357856125,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mo-O-Sr-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Mo-O-Sr-Ti +mp-2219785,Sr3MgTi2O7,-7.4836418062,-3.0923675429,0.1658128321,0.1658128321,GGA,Cm,AB7C3D2_mC26_8_a_3a2b_3a_2a:Mg-O-Sr-Ti,13.0,"Invalid WP multiplicities - AB7C3D2_mC26_8_a_3a3b_3a_2a:Mg-O-Sr-Ti, expected Sr3MgTi2O9 to be Sr3MgTi2O7" +mp-2219990,Sr3MgTi2O7,-7.5209479162,-3.1296736529,0.1285067221,0.1285067221,GGA,Cm,AB7C3D2_mC26_8_a_3a2b_3a_2a:Mg-O-Sr-Ti,13.0,"Invalid WP multiplicities - AB7C3D2_mC26_8_a_3a3b_3a_2a:Mg-O-Sr-Ti, expected Sr3MgTi2O9 to be Sr3MgTi2O7" +mp-2219645,Sr3MgTi2O7,-7.1396723092,-2.748398046,0.509782329,0.509782329,GGA,Immm,AB7C3D2_oI26_71_c_ae2f_be_e:Mg-O-Sr-Ti,13.0,"Invalid WP multiplicities - AB7C3D2_oI26_71_c_a2e4f_b2e_e:Mg-O-Sr-Ti, expected Sr5MgTi2O13 to be Sr3MgTi2O7" +mp-2219012,Sr3MgTi2O7,-7.3415141477,-2.9502398845,0.3079404905,0.3079404905,GGA,I-4m2,AB7C3D2_tI26_119_c_ae2f_be_e:Mg-O-Sr-Ti,13.0,"Invalid WP multiplicities - AB7C3D2_tI26_119_c_a2e3f_b2e_e:Mg-O-Sr-Ti, expected Sr5MgTi2O11 to be Sr3MgTi2O7" +mp-2240169,Sr2MgTiMoO6,-7.6510138155,-2.7964191472,0.2552016366,0.2552016366,GGA+U,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Mg-Mo-O-Sr-Ti,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Mg-Mo-O-Sr-Ti +mp-2223077,Sr2MgTiMoO6,-7.4204130145,-2.5658183463,0.4858024375,0.4858024375,GGA+U,P-1,ABC6D2E_aP11_2_a_c_3i_i_d:Mg-Mo-O-Sr-Ti,11.0,ABC6D2E_aP11_2_a_c_3i_i_d:Mg-Mo-O-Sr-Ti +mp-1034164,SrMg14TiO16,-6.3776547797,-2.9046571063,0.1467929355,0.1467929355,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sr-Ti,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sr-Ti, expected SrMg18TiO20 to be SrMg14TiO16" +mp-1034137,SrMg14TiO16,-6.3809959522,-2.9079982788,0.143451763,0.143451763,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sr-Ti,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sr-Ti, expected SrMg30TiO32 to be SrMg14TiO16" +mp-1031217,SrMg6TiO8,-6.430213955,-2.7577029887,0.2911567954,0.2911567954,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sr-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sr-Ti, expected SrMg6TiO12 to be SrMg6TiO8" +mp-1031365,SrMg6TiO8,-6.4567876738,-2.7842767075,0.2645830767,0.2645830767,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sr-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sr-Ti, expected SrMg6TiO12 to be SrMg6TiO8" +mp-1040370,SrMg30TiO32,-6.3567533422,-2.9835123152,0.0692328554,0.0692328554,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sr-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sr-Ti, expected SrMg90TiO80 to be SrMg30TiO32" +mp-1040356,SrMg30TiO32,-6.3573695297,-2.9841285027,0.0686166679,0.0686166679,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sr-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sr-Ti, expected SrMg110TiO72 to be SrMg30TiO32" +mp-2210739,SrMgTiO3,-6.5997432133,-2.2621879377,0.7780376545000001,0.7780376545000001,GGA,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sr-Ti,6.0,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sr-Ti +mp-1227554,BaTi4Bi4O15,-7.8219523625,-2.694317771,0.073209089,0.073209089,GGA,I4/mmm,AB4C15D4_tI48_139_a_2e_bd2e2g_2e:Ba-Bi-O-Ti,24.0,AB4C15D4_tI48_139_a_2e_bd2e2g_2e:Ba-Bi-O-Ti +mp-1232615,Ba(MnBi)2,-5.756526154,-0.1717293972,0.2263523575,0.2263523575,GGA,C2/m,AB2C2_mC10_12_a_i_i:Ba-Bi-Mn,10.0,AB2C2_mC10_12_a_i_i:Ba-Bi-Mn +mp-1068010,Ba(MnBi)2,-5.804126834,-0.2193300772,0.1787516775,0.1787516775,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-Bi-Mn,5.0,AB2C2_tI10_139_a_e_d:Ba-Bi-Mn +mp-556391,Ba2Mn2Bi2O,-6.034011115,-1.0640614814,0.0471770942,0.0471770942,GGA+U,P6_3/mmc,A2B2C2D_hP14_194_ab_f_f_c:Ba-Bi-Mn-O,14.0,A2B2C2D_hP14_194_ab_f_f_c:Ba-Bi-Mn-O +mp-1228358,Ba2TiMnO6,-8.0300500243,-2.9724910786,0.0155500413,0.0155500413,GGA+U,R-3m,A2BC6D_hR60_166_2c_ab_2h_c:Ba-Mn-O-Ti,40.0,"Invalid WP multiplicities - A2BC6D_hR60_166_2c_2a2b_2h_c:Ba-Mn-O-Ti, expected Ba2TiMn2O6 to be Ba2TiMnO6" +mp-569743,Ti4MnBi2,-7.1993107086,-0.2814590488,0.0,-0.0931353864,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Bi-Mn-Ti,14.0,A2BC4_tI28_140_h_a_k:Bi-Mn-Ti +mp-19502,BaTi18Mn3O38,-9.3250941012,-3.3334599654,0.0125810692,0.0125810692,GGA+U,R-3,AB3C38D18_hR180_148_a_bc_c6f_3f:Ba-Mn-O-Ti,60.0,"Invalid WP multiplicities - AB3C38D18_hR180_148_a_bc_c9f_3f:Ba-Mn-O-Ti, expected BaTi18Mn3O56 to be BaTi18Mn3O38" +mp-1070808,BaTi2Bi2O,-6.3966789467,-1.3404079559,0.0203358641,0.0203358641,GGA,P4/mmm,AB2CD2_tP6_123_a_h_b_e:Ba-Bi-O-Ti,6.0,AB2CD2_tP6_123_a_h_b_e:Ba-Bi-O-Ti +mp-1227378,BaTiMnBiO6,-7.750479028,-2.5007686634,0.1681322265,0.1681322265,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Bi-Mn-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Bi-Mn-O-Ti +mp-567518,Ba14MnBi11,-3.9095841159,-0.8990823896000001,0.0,-0.0063451503,GGA,I4_1/acd,A14B11C_tI208_142_e3g_bf2g_a:Ba-Bi-Mn,104.0,"Invalid WP multiplicities - A14B11C_tI208_142_7e35g_4b8f18g_a:Ba-Bi-Mn, expected Ba154MnBi92 to be Ba14MnBi11" +mp-1079799,BaMnBi2,-5.0093934762,-0.3189013532,0.1787008401,0.1787008401,GGA,I4/mmm,AB2C_tI16_139_e_ce_d:Ba-Bi-Mn,8.0,AB2C_tI16_139_e_ce_d:Ba-Bi-Mn +mp-1229191,Ba2Ti5(Bi2O9)2,-7.8946075405,-2.8008915651,0.0927888948,0.0927888948,GGA,Cc,A2B4C18D5_mC116_9_2a_4a_18a_5a:Ba-Bi-O-Ti,58.0,"Invalid WP multiplicities - A2B4C18D5_mC116_9_2a_5a_27a_7a:Ba-Bi-O-Ti, expected Ba2Ti7Bi5O27 to be Ba2Ti5(Bi2O9)2" +mp-1228482,Ba2Ti5(Bi2O9)2,-7.9185956352,-2.8248796598,0.0688008002,0.0688008002,GGA,I4/mmm,A2B4C18D5_tI58_139_e_2e_cd3e2g_a2e:Ba-Bi-O-Ti,29.0,A2B4C18D5_tI58_139_e_2e_cd3e2g_a2e:Ba-Bi-O-Ti +mp-1235155,LiCu2(RhO2)4,-6.3423901453,-1.0665183202,0.1054781577,0.1054781577,GGA,Imm2,A2BC8D4_oI30_44_ab_a_2c2d_cd:Cu-Li-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_oI30_44_ab_a_3c4d_cd:Cu-Li-O-Rh, expected LiCu2(Rh2O7)2 to be LiCu2(RhO2)4" +mp-1235381,LiCu2(RhO2)4,-6.3519613093,-1.0760894842,0.0959069937,0.0959069937,GGA,R-3m,A2BC8D4_hR45_166_c_b_ch_ad:Cu-Li-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_166_c_b_c2h_a2d:Cu-Li-O-Rh, expected LiCu2(RhO2)7 to be LiCu2(RhO2)4" +mp-1235296,LiCu2(RhO2)4,-6.0987365413,-0.8228647162,0.3491317617,0.3491317617,GGA,F-43m,A2BC8D4_cF60_216_ac_b_2e_e:Cu-Li-O-Rh,15.0,"Invalid WP multiplicities - A2BC8D4_cF60_216_ac_b_4e_e:Cu-Li-O-Rh, expected LiCu2(RhO4)4 to be LiCu2(RhO2)4" +mp-1222686,LiCuRu2(RhO4)2,-6.9363598343,-1.303569831,0.0410195914,0.0410195914,GGA,Imm2,ABC8D2E2_oI28_44_a_b_2c2d_c_d:Cu-Li-O-Rh-Ru,14.0,ABC8D2E2_oI28_44_a_b_2c2d_c_d:Cu-Li-O-Rh-Ru +mp-1222456,LiRuRhO4,-6.9564909693,-1.480149809,0.0343322743,0.0343322743,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Rh-Ru,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Li-O-Rh-Ru, expected LiRuRhO8 to be LiRuRhO4" +mp-1518409,CaEuHfGaO6,-8.618107502,-3.125305602,0.1659412633,0.1659412633,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Ga-Hf-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Ga-Hf-O +mp-1522936,CaEuZrGaO6,-8.382140721,-3.030287661,0.1824073843,0.1824073843,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Ga-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Ga-O-Zr +mp-1523377,CaHfNbInO6,-8.455332536,-3.0057415413,0.181025669,0.181025669,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Hf-In-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Hf-In-Nb-O +mp-1214311,Bi6As4PbO20,-6.4298195477,-1.7741476221,0.0,-0.0282118554,GGA,P-1,A4B6C20D_aP31_2_2i_3i_10i_a:As-Bi-O-Pb,31.0,A4B6C20D_aP31_2_2i_3i_10i_a:As-Bi-O-Pb +mp-554493,BiAsPbO5,-6.3487155431,-1.730503273,0.0110763194,0.0110763194,GGA,C2/m,ABC5D_mC32_12_i_i_g2ij_i:As-Bi-O-Pb,16.0,"Invalid WP multiplicities - ABC5D_mC32_12_i_i_g4i3j_i:As-Bi-O-Pb, expected BiAsPbO11 to be BiAsPbO5" +mp-1214947,Bi17As5Pb5O43,-6.2570106281,-1.6876569543,0.0199493827,0.0199493827,GGA,Cm,A5B17C43D5_mC140_8_a2b_5a6b_5a19b_3ab:As-Bi-O-Pb,70.0,A5B17C43D5_mC140_8_a2b_5a6b_5a19b_3ab:As-Bi-O-Pb +mp-1235033,LiBi2As2(PbO5)2,-6.1404617288,-1.6816194236,0.1110385845,0.1110385845,GGA,P1,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb,17.0,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb +mp-1236201,LiBi2As2(PbO5)2,-6.1247322882,-1.665889983,0.1267680251,0.1267680251,GGA,P1,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb,17.0,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb +mp-1236358,LiBi2As2(PbO5)2,-6.1212075918,-1.6623652865,0.1302927215,0.1302927215,GGA,P1,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb,17.0,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb +mp-1236484,LiBi2As2(PbO5)2,-6.1200156376,-1.6611733324,0.1314846756,0.1314846756,GGA,P1,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb,17.0,A2B2CD10E2_aP17_1_2a_2a_a_10a_2a:As-Bi-Li-O-Pb +mp-1235202,LiBi2As2(PbO5)2,-6.0751593294,-1.6163170242,0.1763409839,0.1763409839,GGA,P-1,A2B2CD10E2_aP17_2_i_i_a_5i_i:As-Bi-Li-O-Pb,17.0,"Invalid WP multiplicities - A2B2CD10E2_aP17_2_i_i_a_8i_i:As-Bi-Li-O-Pb, expected LiBi2As2(PbO8)2 to be LiBi2As2(PbO5)2" +mp-1520149,NaLaZrNbO6,-8.671210499,-3.2124434654,0.1553908298,0.1553908298,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:La-Na-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:La-Na-Nb-O-Zr +mp-1228307,Ba4Ce2In2O11,-7.2047891632,-3.0227354077,0.0160325545,0.0160325545,GGA,Pm,A4B2C2D11_mP19_6_2a2b_c_c_2ab4c:Ba-Ce-In-O,19.0,"Invalid WP multiplicities - A4B2C2D11_mP19_6_2a2b_c_c_2ab8c:Ba-Ce-In-O, expected Ba4Ce2In2O19 to be Ba4Ce2In2O11" +mp-1521419,CeNb2InO6,-8.581374824000001,-2.7246233007000003,0.2286939098,0.2286939098,GGA,I-42m,ABC2D6_tI20_121_a_b_d_ci:Ce-In-Nb-O,10.0,ABC2D6_tI20_121_a_b_d_ci:Ce-In-Nb-O +mp-1519083,BaCeNbInO6,-8.040358923,-3.0018404097,0.1333760777,0.1333760777,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Ce-In-Nb-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Ce-In-Nb-O, expected BaCeNbIn2O12 to be BaCeNbInO6" +mp-1518977,BaCeNbInO6,-8.03659528,-2.9980767668,0.1371397207,0.1371397207,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-In-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-In-Nb-O +mp-1201917,Na9Sc(MoO4)6,-7.3008068563,-2.2500661943,0.0040163174,0.0040163174,GGA+U,R-3,A6B9C24D_hR240_148_2f_3f_8f_c:Mo-Na-O-Sc,80.0,A6B9C24D_hR240_148_2f_3f_8f_c:Mo-Na-O-Sc +mp-1209180,RbSc(MoO4)2,-8.2370797125,-2.5222619552000003,0.0,-0.0261630903,GGA+U,P-3m1,A2B8CD_hP12_164_d_di_a_b:Mo-O-Rb-Sc,12.0,A2B8CD_hP12_164_d_di_a_b:Mo-O-Rb-Sc +mp-1220926,Rb3Na3Sc2(MoO4)6,-7.7356843125,-2.3838804694,0.0076932999,0.0076932999,GGA+U,P2_1/c,A6B3C24D3E2_mP152_14_6e_3e_24e_3e_2e:Mo-Na-O-Rb-Sc,152.0,"Invalid WP multiplicities - A6B3C24D3E2_mP152_14_24e_3e_96e_9e_2e:Mo-Na-O-Rb-Sc, expected Rb9Na3Sc2(MoO4)24 to be Rb3Na3Sc2(MoO4)6" +mp-1210415,Na3Sc2(MoO4)3,-7.882566106,-2.4560796582,0.1231918567,0.1231918567,GGA+U,C2/c,A3B3C12D2_mC80_15_ef_a2e_6f_f:Mo-Na-O-Sc,40.0,A3B3C12D2_mC80_15_ef_a2e_6f_f:Mo-Na-O-Sc +mp-2210618,EuMgMnO3,-8.0564518333,-2.0798912874,0.6446117767,0.6446117767,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Eu-Mg-Mn-O,6.0,ABCD3_tP6_123_a_b_d_ce:Eu-Mg-Mn-O +mp-1227963,Ba3TmIrRuO9,-7.4668583547,-2.6091386637,0.0,-0.0158482315,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_b_a:Ba-Ir-O-Ru-Tm,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_b_a:Ba-Ir-O-Ru-Tm, expected Ba5TmIrRuO15 to be Ba3TmIrRuO9" +mp-12729,Ba2TmRuO6,-7.604828262,-2.8779962509,0.0,-0.0681065585,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Tm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Tm +mp-1214484,Ba3TmRu2O9,-7.5408673203,-2.654083072,0.0,-0.0057581092,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Tm,30.0,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Tm +mp-865381,Tm2IrRu,-7.489687125,-0.7235602333000001,0.0,-0.0196159967,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Tm +mp-1192296,LiSnSb,-3.58686085,-0.2376955294,0.1088625794,0.1088625794,GGA,P6_3mc,ABC_hP24_186_bc_ac_bc:Li-Sb-Sn,24.0,ABC_hP24_186_bc_ac_bc:Li-Sb-Sn +mp-1095830,Sr2LiSn,-1.20780591,1.1165644971,1.5857501567,1.5857501567,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Sn-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Sn-Sr +mp-1522292,SrLiSnSbO6,-6.360261784,-2.2185496158,0.1830749235,0.1830749235,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Li-O-Sb-Sn-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Li-O-Sb-Sn-Sr +mp-867171,SrLi2Sn,-2.8531361625,-0.4739084021,0.0,-0.0180930174,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Sn-Sr,4.0,A2BC_cF16_225_c_a_b:Li-Sn-Sr +mp-866805,SrSn3Sb4,-4.1469270231,-0.3676502758,0.0,-0.02699402,GGA,Pnma,A4B3C_oP32_62_4c_3c_c:Sb-Sn-Sr,32.0,A4B3C_oP32_62_4c_3c_c:Sb-Sn-Sr +mp-41829,BaNdNiSbO6,-7.180301149,-2.552661893,0.0520023736,0.0520023736,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ba-Nd-Ni-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_10a_a:Ba-Nd-Ni-O-Sb, expected BaNdNiSbO10 to be BaNdNiSbO6" +mp-18611,Ba3NiSb2O9,-6.7000089792,-2.4123248204,0.013774152,-0.0075829008,GGA+U,P6_3mc,A3BC9D2_hP30_186_a2b_b_3c_ab:Ba-Ni-O-Sb,60.0,A3BC9D2_hP30_186_a2b_b_3c_ab:Ba-Ni-O-Sb +mp-17269,Ba3NiSb2O9,-6.7137831312,-2.4260989724,0.0,-0.0213570528,GGA+U,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ni-O-Sb,60.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ni-O-Sb +mp-697818,Sr2Pr2MnCuO8,-7.3741614557,-2.6759093079,0.1550973453,0.1550973453,GGA+U,C2/m,ABC8D2E2_mC56_12_i_i_ac7i_2i_2i:Cu-Mn-O-Pr-Sr,28.0,"Invalid WP multiplicities - ABC8D2E2_mC56_12_i_i_ac13i_4i_3i:Cu-Mn-O-Pr-Sr, expected Sr3Pr4MnCuO14 to be Sr2Pr2MnCuO8" +mp-1218720,Sr2Pr2MnCuO8,-7.4730230486,-2.7747709008,0.0562357524,0.0562357524,GGA+U,P4/mmm,ABC8D2E2_tP14_123_a_d_efgh_h_g:Cu-Mn-O-Pr-Sr,14.0,"Invalid WP multiplicities - ABC8D2E2_tP14_123_a_d_2efg2h_h_g:Cu-Mn-O-Pr-Sr, expected Sr2Pr2MnCuO12 to be Sr2Pr2MnCuO8" +mp-1218561,Sr3Pr3Mn2Cu2O13,-7.4701582904,-2.6770889515,0.048786183,0.048786183,GGA+U,Amm2,A2B2C13D3E3_oC46_38_2a_2b_2a3b2f_2ab_a2b:Cu-Mn-O-Pr-Sr,23.0,A2B2C13D3E3_oC46_38_2a_2b_2a3b2f_2ab_a2b:Cu-Mn-O-Pr-Sr +mp-561642,Sr2CoTeO6,-6.6669557265,-2.3358814402,0.0,-0.0213209434,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-Te,20.0,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-Te +mp-562327,Co5Te4Cl4O11,-5.9847703015,-1.404664676,0.0,-0.0288316683,GGA+U,P-1,A4B5C11D4_aP48_2_4i_5i_11i_4i:Cl-Co-O-Te,48.0,"Invalid WP multiplicities - A4B5C11D4_aP48_2_8i_9i_20i_8i:Cl-Co-O-Te, expected Co9Te8(Cl2O5)4 to be Co5Te4Cl4O11" +mp-562378,SrCo2Te3(ClO4)2,-6.0361571597,-1.7482428014,0.0,-0.0037046441,GGA+U,P2_1/c,A2B2C8DE3_mP64_14_2e_2e_8e_e_3e:Cl-Co-O-Sr-Te,64.0,"Invalid WP multiplicities - A2B2C8DE3_mP64_14_4e_7e_31e_e_6e:Cl-Co-O-Sr-Te, expected SrCo7Te6Cl4O31 to be SrCo2Te3(ClO4)2" +mp-561564,Co5Te4(ClO6)2,-6.2397680598,-1.4061963031,0.0178756493,0.0178756493,GGA+U,C2/c,A2B5C12D4_mC92_15_f_e2f_6f_2f:Cl-Co-O-Te,46.0,"Invalid WP multiplicities - A2B5C12D4_mC92_15_f_2e4f_22f_7f:Cl-Co-O-Te, expected Co5Te7ClO22 to be Co5Te4(ClO6)2" +mp-1218587,Sr4Te3(ClO2)4,-5.7601836547000005,-2.4362074535,0.0,-0.0181754317,GGA,C2,A4B8C4D3_mC76_5_ab3c_8c_4c_3c:Cl-O-Sr-Te,38.0,"Invalid WP multiplicities - A4B8C4D3_mC76_5_ab3c_11c_4c_3c:Cl-O-Sr-Te, expected Sr4Te3Cl4O11 to be Sr4Te3(ClO2)4" +mp-1218444,Sr3Co2TeO9,-6.652807618,-2.1895662684,0.0673522805,0.0673522805,GGA+U,Immm,A2B9C3D_oI60_71_abg_e3ln_fn_h:Co-O-Sr-Te,30.0,"Invalid WP multiplicities - A2B9C3D_oI60_71_abg_2e12l2n_2f2n_h:Co-O-Sr-Te, expected Sr6Co2TeO30 to be Sr3Co2TeO9" +mp-562912,Co6Te3(ClO6)2,-6.4336591052,-1.4276955267,0.0,-0.0189784771,GGA+U,P4_2/mbc,A2B6C12D3_tP92_135_e_fi_gh2i_dh:Cl-Co-O-Te,92.0,"Invalid WP multiplicities - A2B6C12D3_tP92_135_e_6f7i_8g7h23i_3d4h:Cl-Co-O-Te, expected Co40Te11(ClO61)2 to be Co6Te3(ClO6)2" +mp-550564,Co2TeCl2O3,-5.685884235,-1.1987491179,0.1191499429,0.1191499429,GGA+U,P2_1/m,A2B2C3D_mP16_11_2e_ae_ef_e:Cl-Co-O-Te,16.0,"Invalid WP multiplicities - A2B2C3D_mP16_11_3e_ae_e2f_e:Cl-Co-O-Te, expected Co2TeCl3O5 to be Co2TeCl2O3" +mp-1516596,Eu2NbFeO6,-9.770205663,-2.8936594513,0.0371735163,0.0371735163,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-Nb-O +mp-1523150,PrEuNbFeO6,-9.19201165,-2.8630750428,0.2127521362,0.2127521362,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Pr +mp-4593,Mn3AlC,-8.283628118,-0.1915706783,0.0,-0.0352093779,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Mn,5.0,ABC3_cP5_221_a_b_c:Al-C-Mn +mp-1219246,Sm2Mn2Al2Fe13,-7.6852290153,-0.0345642656,0.0563396574,0.0563396574,GGA,C2/m,A2B13C2D2_mC38_12_i_ahi2j_f_i:Al-Fe-Mn-Sm,19.0,"Invalid WP multiplicities - A2B13C2D2_mC38_12_i_a2h2i3j_e_i:Al-Fe-Mn-Sm, expected Sm2Mn2Al2Fe21 to be Sm2Mn2Al2Fe13" +mp-22793,AlFe3C,-7.837073892,-0.1602129015,0.0,-0.0010983615,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Fe,5.0,ABC3_cP5_221_a_b_c:Al-C-Fe +mp-1219359,Sm2Al2Fe15C,-7.643100897,0.0172644816,0.1290606296,0.1290606296,GGA,C2/m,A2BC15D2_mC40_12_i_a_degi2j_i:Al-C-Fe-Sm,20.0,"Invalid WP multiplicities - A2BC15D2_mC40_12_i_a_df2g2i3j_i:Al-C-Fe-Sm, expected Sm2Al2Fe23C to be Sm2Al2Fe15C" +mp-7144,Sm3AlC,-5.682542038,-0.2565420925,0.0026391753,0.0026391753,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-C-Sm,5.0,ABC3_cP5_221_a_b_c:Al-C-Sm +mp-1219317,Sm2Mn2Al2Fe13C,-7.7875380145,-0.0579732277,0.0547385002,0.0547385002,GGA,P-1,A2BC13D2E2_aP20_2_i_a_c6i_bh_i:Al-C-Fe-Mn-Sm,20.0,"Invalid WP multiplicities - A2BC13D2E2_aP20_2_i_a_c12i_bh_i:Al-C-Fe-Mn-Sm, expected Sm2Mn2Al2Fe25C to be Sm2Mn2Al2Fe13C" +mp-1396966,CaLa2BiO6,-7.537111008,-2.9972874592,0.0776133489,0.0776133489,GGA,R-3,ABC2D6_hR30_148_a_b_c_f:Bi-Ca-La-O,10.0,ABC2D6_hR30_148_a_b_c_f:Bi-Ca-La-O +mp-1518480,CaLaCrBiO6,-7.431215906,-2.4196883208,0.3201100658,0.3201100658,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Cr-La-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Cr-La-O +mp-1194369,NaZnSiO4,-6.2553663214,-2.2847460674,0.1109327222,0.1109327222,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Na-O-Si-Zn,28.0,AB4CD_oP28_19_a_4a_a_a:Na-O-Si-Zn +mp-6391,Na2ZnSiO4,-6.1326734744,-2.4930650904,0.0,-0.0202708562,GGA,Pc,A2B4CD_mP16_7_2a_4a_a_a:Na-O-Si-Zn,16.0,"Invalid WP multiplicities - A2B4CD_mP16_7_4a_5a_a_a:Na-O-Si-Zn, expected Na4ZnSiO5 to be Na2ZnSiO4" +mp-17709,Na2ZnSiO4,-6.1283198866,-2.4887115026,0.0043535878,-0.0159172684,GGA,Pna2_1,A2B4CD_oP32_33_2a_4a_a_a:Na-O-Si-Zn,32.0,"Invalid WP multiplicities - A2B4CD_oP32_33_4a_5a_a_a:Na-O-Si-Zn, expected Na4ZnSiO5 to be Na2ZnSiO4" +mp-556413,Na4Cd2Si3O10,-6.3756137034,-2.5398914984000003,0.0,-0.0086728675,GGA,C2/c,A2B4C10D3_mC76_15_f_2f_5f_ef:Cd-Na-O-Si,38.0,"Invalid WP multiplicities - A2B4C10D3_mC76_15_f_4f_17f_2e2f:Cd-Na-O-Si, expected Na4CdSi3O17 to be Na4Cd2Si3O10" +mp-555300,Na2Zn3(SiO4)2,-6.2674393298,-2.4775441853,0.0,-0.0027059471,GGA,P1,A2B8C2D3_aP45_1_6a_24a_6a_9a:Na-O-Si-Zn,45.0,A2B8C2D3_aP45_1_6a_24a_6a_9a:Na-O-Si-Zn +mp-662522,Na2Zn(SiO3)2,-6.7305177991,-2.690921206,0.0258922464,0.0218124565,GGA,P1,A2B6C2D_aP22_1_4a_12a_4a_2a:Na-O-Si-Zn,22.0,A2B6C2D_aP22_1_4a_12a_4a_2a:Na-O-Si-Zn +mp-558580,Na2Zn(SiO3)2,-6.7488056668,-2.7092090737000003,0.0076043786,0.0035245888,GGA,C2/c,A2B6C2D_mC44_15_f_ae2f_f_e:Na-O-Si-Zn,22.0,"Invalid WP multiplicities - A2B6C2D_mC44_15_f_2c2e5f_f_e:Na-O-Si-Zn, expected Na2Zn(SiO7)2 to be Na2Zn(SiO3)2" +mp-6675,Na2Zn(SiO3)2,-6.7564100455,-2.7168134523000003,0.0,-0.0040797899,GGA,Fdd2,A2B6C2D_oF88_43_b_3b_b_a:Na-O-Si-Zn,22.0,A2B6C2D_oF88_43_b_3b_b_a:Na-O-Si-Zn +mp-1221167,Na4ZnCd(SiO3)4,-6.6910525773,-2.6667675228,0.0134298943,0.0134298943,GGA,C2,AB4C12D4E_mC44_5_a_2c_6c_2c_b:Cd-Na-O-Si-Zn,22.0,AB4C12D4E_mC44_5_a_2c_6c_2c_b:Cd-Na-O-Si-Zn +mp-6481,Na2ZnSi3O8,-7.1037817218,-2.8356204377000003,0.0,-0.0006887061,GGA,P2_1,A2B8C3D_mP28_4_2a_8a_3a_a:Na-O-Si-Zn,28.0,A2B8C3D_mP28_4_2a_8a_3a_a:Na-O-Si-Zn +mp-6078,Na2Cd3Si3O10,-6.4452401978000005,-2.4920979161,0.0,-0.0120395447,GGA,C2/c,A3B2C10D3_mC72_15_cf_f_5f_ef:Cd-Na-O-Si,36.0,A3B2C10D3_mC72_15_af_f_5f_ef:Cd-Na-O-Si +mp-1193671,NaCd2(SiO3)3,-6.7911783237000005,-2.52688117,0.0459499938,0.0459499938,GGA,P-1,A2BC9D3_aP30_2_2i_i_9i_3i:Cd-Na-O-Si,30.0,A2BC9D3_aP30_2_2i_i_9i_3i:Cd-Na-O-Si +mp-6507,Na2Zn2Si2O7,-6.4754998385,-2.5799617734,0.0,-0.0011882828,GGA,Ama2,A2B7C2D2_oC52_40_ab_b3c_c_c:Na-O-Si-Zn,26.0,A2B7C2D2_oC52_40_ab_b3c_c_c:Na-O-Si-Zn +mp-555363,Na2Cd(SiO3)2,-6.6322714721,-2.6232979563,0.0202834255,0.0202834255,GGA,Pmn2_1,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Cd-Na-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oP66_31_5a_4a6b_8a26b_4a7b:Cd-Na-O-Si, expected Na16Cd5(Si3O10)6 to be Na2Cd(SiO3)2" +mp-561024,CaEu2(CuO3)2,-7.8635775664,-2.3728367402,0.0356133936,0.0356133936,GGA,C2/c,AB2C2D6_mC44_15_e_f_f_3f:Ca-Cu-Eu-O,22.0,"Invalid WP multiplicities - AB2C2D6_mC44_15_e_f_f_8f:Ca-Cu-Eu-O, expected CaEu2(CuO8)2 to be CaEu2(CuO3)2" +mp-1228042,Ca2Eu(CuO3)2,-7.0670000977,-2.3263867189000003,0.02886043,0.02886043,GGA,Cc,A2B2CD6_mC44_9_2a_2a_a_6a:Ca-Cu-Eu-O,22.0,A2B2CD6_mC44_9_2a_2a_a_6a:Ca-Cu-Eu-O +mp-1522145,CaLaPrMnO6,-8.033237624,-2.976771594,0.2636859608,0.2636859608,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-La-Mn-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-La-Mn-O-Pr +mp-1222923,LaPr3Mn4O12,-8.7182749795,-2.9539224758,0.0502518622,0.0502518622,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:La-Mn-O-Pr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:La-Mn-O-Pr, expected LaPr3Mn8O20 to be LaPr3Mn4O12" +mp-1222975,LaPrMn2O6,-8.743074947,-2.9709673758,0.0900888073,0.0900888073,GGA+U,Pmc2_1,AB2C6D_oP20_26_a_c_ab2c_b:La-Mn-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_26_a_c_ab3c_b:La-Mn-O-Pr, expected LaPrMn2O8 to be LaPrMn2O6" +mp-1223133,La3PrMn4O12,-8.765909817,-2.9860471783,0.1264633197,0.1264633197,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:La-Mn-O-Pr,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_4c_2a2b8c_a:La-Mn-O-Pr, expected La3PrMn8O20 to be La3PrMn4O12" +mp-1516331,SrDy(NiO3)4,-6.0050491922,-1.0729885506,0.3976801076,0.3976801076,GGA+U,Cmmm,AB4C12D_oC36_65_a_m_efno_c:Dy-Ni-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_65_a_m_2e2fno_c:Dy-Ni-O-Sr, expected SrDy(NiO4)4 to be SrDy(NiO3)4" +mp-1522156,SrSmTi4O12,-8.5584089789,-3.1500583017,0.1460439216,0.1460439216,GGA,P4/mmm,A12BCD4_tP18_123_efr_a_d_i:O-Sm-Sr-Ti,18.0,"Invalid WP multiplicities - A12BCD4_tP18_123_2e2fr_a_d_i:O-Sm-Sr-Ti, expected SrSmTi4O16 to be SrSmTi4O12" +mp-1516441,SrSmZrTiO6,-8.717014213,-3.4638737628,0.1881030624,0.1881030624,GGA,F-43m,A6BCDE_cF40_216_f_c_d_a_b:O-Sm-Sr-Ti-Zr,10.0,A6BCDE_cF40_216_f_c_d_a_b:O-Sm-Sr-Ti-Zr +mp-2230574,La4Mg(MoO6)2,-8.547838112600001,-3.1585816271,0.0301973045,0.0301973045,GGA+U,P-1,A4BC2D12_aP19_2_2i_a_be_6i:La-Mg-Mo-O,19.0,"Invalid WP multiplicities - A4BC2D12_aP19_2_4i_a_be_12i:La-Mg-Mo-O, expected La8Mg(MoO12)2 to be La4Mg(MoO6)2" +mp-1040803,LaCrMoO6,-8.1464165733,-2.0225458008,0.6835238945000001,0.6835238945000001,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mo-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mo-O +mp-2240259,LaMgCrMoO6,-8.368539138,-2.6970274377,0.1222297214,0.1222297214,GGA+U,P1,ABCDE6_aP10_1_a_a_a_a_6a:Cr-La-Mg-Mo-O,10.0,ABCDE6_aP10_1_a_a_a_a_6a:Cr-La-Mg-Mo-O +mp-1049205,LaMgCrMoO6,-8.4015651275,-2.7300534273,0.0892037319,0.0892037319,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Cr-La-Mg-Mo-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Cr-La-Mg-Mo-O +mp-1233315,La2MgMoO6,-8.198334334,-2.9985266703,0.1894976002,0.1894976002,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:La-Mg-Mo-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:La-Mg-Mo-O +mp-2217098,La2MgMoO6,-8.007631087,-2.8078234233,0.3802008472,0.3802008472,GGA+U,I222,A2BCD6_oI20_23_e_c_a_fk:La-Mg-Mo-O,10.0,A2BCD6_oI20_23_e_c_a_fk:La-Mg-Mo-O +mp-2217164,La2MgMoO6,-7.880144489,-2.6803368252,0.5076874452,0.5076874452,GGA+U,Fmm2,A2BCD6_oF40_42_2a_a_a_bcd:La-Mg-Mo-O,10.0,"Invalid WP multiplicities - A2BCD6_oF40_42_2a_a_a_b2c2d:La-Mg-Mo-O, expected La2MgMoO10 to be La2MgMoO6" +mp-2217111,La2MgMoO6,-8.153841132,-2.9540334682,0.2339908022,0.2339908022,GGA+U,I-42m,A2BCD6_tI20_121_e_a_b_di:La-Mg-Mo-O,10.0,A2BCD6_tI20_121_e_a_b_di:La-Mg-Mo-O +mp-1233115,La2MgMoO6,-8.383746016,-3.1839383522,0.0040859182,0.0040859182,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:La-Mg-Mo-O,10.0,A2BCD6_hR30_148_c_a_b_f:La-Mg-Mo-O +mp-1223257,La2CrMoO6,-9.012380587,-3.0072961813,0.0316855382,0.0316855382,GGA+U,I4/m,AB2CD6_tI20_87_a_d_b_eh:Cr-La-Mo-O,10.0,AB2CD6_tI20_87_a_d_b_eh:Cr-La-Mo-O +mp-1520955,Eu2FeSnO6,-8.761957288,-2.4945843948,0.0723807127,0.0723807127,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-Sn +mp-1228409,Ba2ScTi2BiO9,-8.1340969353,-3.1792908987,0.088010124,0.088010124,GGA,Cmmm,A2BC9DE2_oC30_65_g_a_bfgq_c_h:Ba-Bi-O-Sc-Ti,15.0,"Invalid WP multiplicities - A2BC9DE2_oC30_65_g_a_b2fg3q_c_h:Ba-Bi-O-Sc-Ti, expected Ba2ScTi2BiO19 to be Ba2ScTi2BiO9" +mp-1228157,Ba4ScTi4BiO15,-8.238704348,-3.2934580788,0.0641226804,0.0641226804,GGA,Cmmm,A4BC15DE4_oC50_65_2g_a_bf2g2q_c_2h:Ba-Bi-O-Sc-Ti,25.0,"Invalid WP multiplicities - A4BC15DE4_oC50_65_3g_a_b2f3g6q_c_3h:Ba-Bi-O-Sc-Ti, expected Ba6ScTi6BiO35 to be Ba4ScTi4BiO15" +mp-1096405,BaSr2Ca,-0.31415645,1.5117339817,1.51551036,1.51551036,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Sr,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Sr +mp-1183321,BaSr2Ca,-1.805366885,0.0205235467,0.024299925,0.024299925,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Ca-Sr,4.0,ABC2_cF16_225_a_b_c:Ba-Ca-Sr +mp-1097376,Ba2SrCa,-0.3423161525,1.5409446508,1.54283284,1.54283284,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Ca-Sr,4.0,A2BC_oI8_71_e_a_b:Ba-Ca-Sr +mp-1521728,BaSrCaFeO6,-6.730754526,-2.3543323509,0.070477615,0.070477615,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Fe-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Fe-O-Sr +mp-1093566,BaSrCa2,-0.3423004225,1.5626166158,1.564504805,1.564504805,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Ca-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Ca-Sr +mp-690817,SrFeMoO5,-7.862786345,-2.1454603038,0.2247364131,0.2247364131,GGA+U,P1,ABC5D_aP8_1_a_a_5a_a:Fe-Mo-O-Sr,8.0,ABC5D_aP8_1_a_a_5a_a:Fe-Mo-O-Sr +mp-1043944,LaFeMoO6,-8.3949431661,-2.4025197558,0.1203564906,0.1203564906,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Fe-La-Mo-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_10a:Fe-La-Mo-O, expected LaFeMoO10 to be LaFeMoO6" +mp-1218549,Sr4Fe3MoO12,-7.5496338715,-2.4309362671,0.0021995938,0.0021995938,GGA+U,P4/mmm,A3BC12D4_tP20_123_abc_d_ghjk_i:Fe-Mo-O-Sr,20.0,"Invalid WP multiplicities - A3BC12D4_tP20_123_abc_d_2g2h4j4k_i:Fe-Mo-O-Sr, expected Sr4Fe3MoO40 to be Sr4Fe3MoO12" +mp-1218513,Sr4Fe3MoO12,-7.542680659,-2.4239830546,0.0091528063,0.0091528063,GGA+U,Im-3m,A3BC12D4_cI40_229_b_a_de_c:Fe-Mo-O-Sr,20.0,"Invalid WP multiplicities - A3BC12D4_cI40_229_b_a_3d4e_c:Fe-Mo-O-Sr, expected Sr4Fe3MoO42 to be Sr4Fe3MoO12" +mp-1218421,Sr3FeMoO7,-7.5290147367,-2.6114336818,0.0235955402,0.0235955402,GGA+U,I4mm,ABC7D3_tI24_107_a_a_3a2b_3a:Fe-Mo-O-Sr,12.0,ABC7D3_tI24_107_a_a_3a2b_3a:Fe-Mo-O-Sr +mp-1218610,Sr5FeMo4O15,-7.9140661784,-2.5340493950000003,0.0384986688,0.0384986688,GGA+U,C2/m,AB4C15D5_mC50_12_c_2i_bf2i2j_a2i:Fe-Mo-O-Sr,25.0,"Invalid WP multiplicities - AB4C15D5_mC50_12_c_3i_a2e4i6j_b4i:Fe-Mo-O-Sr, expected Sr9FeMo6O37 to be Sr5FeMo4O15" +mp-1173284,Sr2FeMoO6,-7.7714156794,-2.53393663,0.0,-0.0064538801,GGA+U,P1,ABC6D2_aP120_1_12a_12a_72a_24a:Fe-Mo-O-Sr,120.0,ABC6D2_aP120_1_12a_12a_72a_24a:Fe-Mo-O-Sr +mp-1173281,Sr2FeMoO6,-7.7689342202,-2.5314551708,0.0024814592,-0.0039724209,GGA+U,P2,ABC6D2_mP100_3_5a5d_5a5d_10a10d20e_10b10c:Fe-Mo-O-Sr,100.0,"Invalid WP multiplicities - ABC6D2_tP100_81_8g_9g_20g36h_abcd8e8f:Fe-Mo-O-Sr, expected Sr18Fe8Mo9O92 to be Sr2FeMoO6" +mp-1173282,Sr2FeMoO6,-7.7712013885,-2.5337223391,0.0002142909,-0.0062395892,GGA+U,P2/c,ABC6D2_mP100_13_5e_5e_10e10g_10f:Fe-Mo-O-Sr,100.0,"Invalid WP multiplicities - ABC6D2_mP100_13_8e_9e_20e38g_19f:Fe-Mo-O-Sr, expected Sr19Fe8(Mo3O32)3 to be Sr2FeMoO6" +mp-18857,Sr2FeMoO6,-7.770334578,-2.5328555286,0.0010811014,-0.0053727787,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Fe-Mo-O-Sr,10.0,ABC6D2_tI20_87_a_b_eh_d:Fe-Mo-O-Sr +mp-19127,Sr2FeMoO6,-7.770677546,-2.5331984966,0.0007381334,-0.0057157467,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Fe-Mo-O-Sr,20.0,ABC6D2_tI20_139_a_b_eh_d:Fe-Mo-O-Sr +mp-1218333,Sr4FeMoO8,-7.3963207036,-2.7072382162,0.0,-0.0179329111,GGA+U,Cmmm,ABC8D4_oC28_65_a_c_ghn_gh:Fe-Mo-O-Sr,14.0,"Invalid WP multiplicities - ABC8D4_oC28_65_a_c_2ghn_2gh:Fe-Mo-O-Sr, expected Sr6FeMoO10 to be Sr4FeMoO8" +mp-1218650,Sr3Fe2MoO9,-7.6488692527,-2.4905778333,1.80875e-05,1.80875e-05,GGA+U,C2/m,A2BC9D3_mC60_12_abi_i_g6ij_hj:Fe-Mo-O-Sr,30.0,"Invalid WP multiplicities - A2BC9D3_mC60_12_abi_i_2g12i3j_2h3j:Fe-Mo-O-Sr, expected Sr8Fe2MoO20 to be Sr3Fe2MoO9" +mp-735565,Sr11LaFe6(MoO6)6,-7.8490210322,-2.5574334219,0.0085119531,0.0085119531,GGA+U,P1,A6BC6D36E11_aP60_1_6a_a_6a_36a_11a:Fe-La-Mo-O-Sr,60.0,A6BC6D36E11_aP60_1_6a_a_6a_36a_11a:Fe-La-Mo-O-Sr +mp-1650411,Sr5Fe4MoO15,-7.4818327384,-2.386891423,0.0062908382,0.0062908382,GGA+U,Cm,A4BC15D5_mC100_8_8a_2a_10a10b_10a:Fe-Mo-O-Sr,50.0,"Invalid WP multiplicities - A4BC15D5_mC50_8_7a_a_5a9b_5a:Fe-Mo-O-Sr, expected Sr5Fe7MoO23 to be Sr5Fe4MoO15" +mp-1218594,Sr5Fe4MoO15,-7.4846694304,-2.389728115,0.0034541462,0.0034541462,GGA+U,C2/m,A4BC15D5_mC50_12_2i_c_bf2i2j_a2i:Fe-Mo-O-Sr,25.0,A4BC15D5_mC50_12_2i_c_ae2i2j_b2i:Fe-Mo-O-Sr +mp-1221230,Na3LaTi2Nb2O12,-8.340639059,-3.1277669773,0.019742063,0.019742063,GGA,C2,AB3C2D12E2_mC40_5_a_a2b_c_6c_c:La-Na-Nb-O-Ti,20.0,"Invalid WP multiplicities - AB3C2D12E2_mC40_5_a_a2b_c_10c_c:La-Na-Nb-O-Ti, expected Na3LaTi2Nb2O20 to be Na3LaTi2Nb2O12" +mp-695512,Na3LaTi2Nb2O12,-8.3426322625,-3.1297601808,0.0177488595,0.0177488595,GGA,P2/c,AB3C2D12E2_mP40_13_e_e2f_ab_6g_cd:La-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_mP40_13_e_e3f_ab_18g_cd:La-Na-Nb-O-Ti, expected Na4LaTi2Nb2O36 to be Na3LaTi2Nb2O12" +mp-1096730,Ti2NbSn,-4.3516318325,3.1238333996,3.3806049375,3.3806049375,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Sn-Ti,4.0,ABC2_oI8_71_a_b_e:Nb-Sn-Ti +mp-1217094,Ti3Nb3Sn2,-7.9865250188,-0.2353331588,0.0,-0.0035779775,GGA,R32,A3B2C3_hR24_155_d_c_e:Nb-Sn-Ti,8.0,A3B2C3_hR24_155_d_c_e:Nb-Sn-Ti +mp-1521905,TiNb(SnO3)2,-7.998133568,-2.4285262646,0.1853104025,0.1853104025,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sn-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sn-Ti +mp-1516396,CaTiNbSnO6,-8.229041743,-2.8598316371,0.1793052376,0.1793052376,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sn-Ti +mp-1202238,Cs2Fe2(MoO4)3,-7.5975031392,-1.7749735587000002,0.2404763986,0.2404763986,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Fe-Mo-O,76.0,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Fe-Mo-O +mp-1017097,CsMg6Mo,-2.2287757563,0.4390658415,0.4496347751,0.4496347751,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Mo,8.0,AB6C_tP8_123_a_fk_c:Cs-Mg-Mo +mp-1100171,CsMg6Mo,-2.0719994688,0.595842129,0.6064110626,0.6064110626,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Mo,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Mo +mp-1095445,CsFe(MoO4)2,-7.9113493242,-2.0254965332,0.0011672792,-0.0148942576,GGA+U,P-3,ABC2D8_hP12_147_a_b_d_dg:Cs-Fe-Mo-O,12.0,ABC2D8_hP12_147_a_b_d_dg:Cs-Fe-Mo-O +mp-1104989,CsFe(MoO4)2,-7.9125166033,-2.0266638123,0.0,-0.0160615368,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Cs-Fe-Mo-O,12.0,ABC2D8_hP12_164_a_b_d_di:Cs-Fe-Mo-O +mp-1226269,Cs4Fe(MoO4)3,-7.315801195,-2.1183589168,0.0,-0.0020706247,GGA+U,Cc,A4BC3D12_mC80_9_4a_a_3a_12a:Cs-Fe-Mo-O,40.0,"Invalid WP multiplicities - A4BC3D12_mC80_9_8a_a_5a_23a:Cs-Fe-Mo-O, expected Cs8FeMo5O23 to be Cs4Fe(MoO4)3" +mp-1213820,Cs2Mg2(MoO4)3,-7.4580102625,-2.3586113304,0.0,-0.0216275587,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Mg-Mo-O,76.0,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Mg-Mo-O +mp-1037605,CsMg30FeO32,-6.2210488641,-2.8512384915,0.1203662336,0.1203662336,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cs-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cs-Fe-Mg-O, expected CsMg90FeO80 to be CsMg30FeO32" +mp-1203205,Cs2Mg(MoO6)2,-6.3333586947,-1.3661440153,0.4065411554,0.4065411554,GGA+U,P2_1/c,A2BC2D12_mP34_14_e_a_e_6e:Cs-Mg-Mo-O,34.0,A2BC2D12_mP34_14_e_a_e_6e:Cs-Mg-Mo-O +mp-1199975,Cs3FeMo4O15,-7.5986013779,-2.0012466199,0.0835691299,0.0835691299,GGA+U,P2_1/c,A3BC4D15_mP92_14_3e_ab_4e_15e:Cs-Fe-Mo-O,92.0,A3BC4D15_mP92_14_3e_ab_4e_15e:Cs-Fe-Mo-O +mp-2219036,CsMgFe(MoO4)2,-7.5954383238,-2.0392449745,0.1542155955,0.1542155955,GGA+U,P1,ABCD2E8_aP13_1_a_a_a_2a_8a:Cs-Fe-Mg-Mo-O,13.0,ABCD2E8_aP13_1_a_a_a_2a_8a:Cs-Fe-Mg-Mo-O +mp-1026634,CsMg14Mo,-1.8286212556,0.3054395683,0.3177699908,0.3177699908,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Mo, expected CsMg18Mo to be CsMg14Mo" +mp-1026600,CsMg14Mo,-1.8433248738,0.2907359501,0.3030663727,0.3030663727,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Mo, expected CsMg26Mo to be CsMg14Mo" +mp-1196710,CsFe5(MoO4)7,-8.2028699754,-1.9181786801,0.0113529587,0.0113529587,GGA+U,P2_1/m,AB5C7D28_mP82_11_e_e2f_e3f_2e13f:Cs-Fe-Mo-O,82.0,AB5C7D28_mP82_11_e_e2f_e3f_2e13f:Cs-Fe-Mo-O +mp-1035604,CsMg14FeO16,-6.0760385853,-2.6099022209,0.27926693,0.27926693,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cs-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cs-Fe-Mg-O, expected CsMg30FeO32 to be CsMg14FeO16" +mp-1021365,NaMg6Ti,-2.1646050956,0.1878571056,0.2058077251,0.2058077251,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Ti, expected NaMg12Ti to be NaMg6Ti" +mp-1021382,NaMg6Ti,-2.1617333212,0.19072888,0.2086794994,0.2086794994,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Ti, expected NaMg12Ti to be NaMg6Ti" +mp-1044092,PrMgTi2O6,-8.598521878,-3.4132916674,0.0712571563,0.0712571563,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Mg-O-Pr-Ti,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Mg-O-Pr-Ti, expected PrMgTi2O12 to be PrMgTi2O6" +mp-2230313,Pr2MgTi4O12,-8.7740063916,-3.4000945936,0.1953671554,0.1953671554,GGA,P1,AB12C2D4_aP19_1_a_12a_2a_4a:Mg-O-Pr-Ti,19.0,AB12C2D4_aP19_1_a_12a_2a_4a:Mg-O-Pr-Ti +mp-2231577,Pr2MgTi4O12,-8.8936353395,-3.5197235415,0.0757382075,0.0757382075,GGA,Pm,AB12C2D4_mP19_6_a_2a2b4c_ab_2c:Mg-O-Pr-Ti,19.0,AB12C2D4_mP19_6_a_2a2b4c_ab_2c:Mg-O-Pr-Ti +mp-1026521,NaMg14Ti,-1.8829687506,0.093402375,0.1143447643,0.1143447643,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Ti, expected NaMg18Ti to be NaMg14Ti" +mp-1026483,NaMg14Ti,-1.8970161638,0.0793549619,0.1002973512,0.1002973512,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Ti, expected NaMg26Ti to be NaMg14Ti" +mp-1031173,NaMg6TiO8,-6.5346226813,-2.885047225,0.1044408036,0.1044408036,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Na-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Na-O-Ti, expected NaMg6TiO12 to be NaMg6TiO8" +mp-1031198,NaMg6TiO8,-6.549485845,-2.8999103887,0.0895776399,0.0895776399,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Na-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Na-O-Ti, expected NaMg6TiO12 to be NaMg6TiO8" +mp-1098348,NaMg30TiO32,-6.3823445178,-3.0148373683,0.0230648634,0.0230648634,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Na-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Na-O-Ti, expected NaMg110TiO72 to be NaMg30TiO32" +mp-1098352,NaMg30TiO32,-6.3876753328,-3.0201681833,0.0177340484,0.0177340484,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Na-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Na-O-Ti, expected NaMg90TiO80 to be NaMg30TiO32" +mp-2226551,Na2MgTiO3,-6.0181297071,-2.1637170232,0.3064837574,0.3064837574,GGA,Cm,AB2C3D_mC14_8_a_2a_3a_a:Mg-Na-O-Ti,7.0,AB2C3D_mC14_8_a_2a_3a_a:Mg-Na-O-Ti +mp-2225851,Na2MgTiO3,-5.9752336357,-2.1208209518,0.3493798288,0.3493798288,GGA,Imm2,AB2C3D_oI14_44_b_c_ac_a:Mg-Na-O-Ti,7.0,AB2C3D_oI14_44_b_c_ac_a:Mg-Na-O-Ti +mp-2230162,Na8MgTi2O8,-5.7364427105,-2.1814439673,0.1621344433,0.1621344433,GGA,C2/m,AB8C8D2_mC38_12_a_ghj_2ij_i:Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - AB8C8D2_mC38_12_a_2g2hj_4i2j_i:Mg-Na-O-Ti, expected Na12MgTi2O16 to be Na8MgTi2O8" +mp-2230276,Na8MgTi2O8,-5.6839098032,-2.12891106,0.2146673507,0.2146673507,GGA,Amm2,AB8C8D2_oC38_38_a_def_2cde_ab:Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - AB8C8D2_oC38_38_a_d2e2f_3c2d2e_ab:Mg-Na-O-Ti, expected Na14MgTi2O14 to be Na8MgTi2O8" +mp-2230868,Na8MgTi2O8,-5.7370735932,-2.18207485,0.1615035607,0.1615035607,GGA,Amm2,AB8C8D2_oC38_38_a_def_2cde_ab:Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - AB8C8D2_oC38_38_a_d2e2f_3c2d2e_ab:Mg-Na-O-Ti, expected Na14MgTi2O14 to be Na8MgTi2O8" +mp-2232821,Na4MgTi3O8,-7.0857070744,-2.7013091391,0.1127030614,0.1127030614,GGA,P1,AB4C8D3_aP16_1_a_4a_8a_3a:Mg-Na-O-Ti,16.0,AB4C8D3_aP16_1_a_4a_8a_3a:Mg-Na-O-Ti +mp-2232864,Na4MgTi3O8,-6.8781803412,-2.493782406,0.3202297945,0.3202297945,GGA,Cm,AB4C8D3_mC32_8_a_2ab_4a2b_ab:Mg-Na-O-Ti,16.0,AB4C8D3_mC32_8_a_2ab_4a2b_ab:Mg-Na-O-Ti +mp-2232918,Na4MgTi3O8,-7.0857895162,-2.701391581,0.1126206195,0.1126206195,GGA,C2/m,AB4C8D3_mC32_12_a_bce_2ij_df:Mg-Na-O-Ti,16.0,"Invalid WP multiplicities - AB4C8D3_mC32_12_a_bce_4ij_df:Mg-Na-O-Ti, expected Na4MgTi3O12 to be Na4MgTi3O8" +mp-2224464,Na2MgTi2O5,-7.13149127,-2.6545154474,0.1929575856,0.1929575856,GGA,Cm,AB2C5D2_mC20_8_a_2a_5a_2a:Mg-Na-O-Ti,10.0,AB2C5D2_mC20_8_a_2a_5a_2a:Mg-Na-O-Ti +mp-2217187,Na2MgTi2O5,-7.118348635,-2.6413728124,0.2061002206,0.2061002206,GGA,C2/m,AB2C5D2_mC20_12_a_i_d2i_i:Mg-Na-O-Ti,10.0,"Invalid WP multiplicities - AB2C5D2_mC20_12_a_i_c3i_i:Mg-Na-O-Ti, expected Na2MgTi2O7 to be Na2MgTi2O5" +mp-2227303,Na2Pr2MgTi2O8,-7.6322764167,-3.0208340253,0.1373444948,0.1373444948,GGA,Cm,AB2C8D2E2_mC30_8_a_2a_4a2b_2a_2a:Mg-Na-O-Pr-Ti,15.0,AB2C8D2E2_mC30_8_a_2a_4a2b_2a_2a:Mg-Na-O-Pr-Ti +mp-2227732,Na2Pr2MgTi2O8,-7.6275111033,-3.016068712,0.1421098081,0.1421098081,GGA,P4mm,AB2C8D2E2_tP15_99_a_ab_2a2b2c_ab_ab:Mg-Na-O-Pr-Ti,15.0,AB2C8D2E2_tP15_99_a_ab_2a2b2c_ab_ab:Mg-Na-O-Pr-Ti +mp-2227301,Na2Pr2MgTi2O8,-7.5342739787,-2.9228315873,0.2353469328,0.2353469328,GGA,P-4m2,AB2C8D2E2_tP15_115_a_g_ef2g_g_g:Mg-Na-O-Pr-Ti,15.0,"Invalid WP multiplicities - AB2C8D2E2_tP15_115_a_g_e2f2g_g_g:Mg-Na-O-Pr-Ti, expected Na2Pr2MgTi2O10 to be Na2Pr2MgTi2O8" +mp-2242179,Na2Pr2MgTi2O8,-7.5359671767,-2.9245247853,0.2336537348,0.2336537348,GGA,P-4m2,AB2C8D2E2_tP15_115_a_g_ef2g_g_g:Mg-Na-O-Pr-Ti,15.0,"Invalid WP multiplicities - AB2C8D2E2_tP15_115_a_g_2ef2g_g_g:Mg-Na-O-Pr-Ti, expected Na2Pr2MgTi2O10 to be Na2Pr2MgTi2O8" +mp-1034101,NaMg14TiO16,-6.4411857203,-2.9796558019,0.0421083621,0.0421083621,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Na-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Na-O-Ti, expected NaMg18TiO20 to be NaMg14TiO16" +mp-1034083,NaMg14TiO16,-6.4339549706,-2.9724250522,0.0493391118,0.0493391118,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Na-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Na-O-Ti, expected NaMg30TiO32 to be NaMg14TiO16" +mp-645302,Al14Co5Si2,-5.0928186464,-0.38661452,0.0080501008,0.0080501008,GGA,Pnma,A14B5C2_oP168_62_2c13d_2c4d_2cd:Al-Co-Si,168.0,"Invalid WP multiplicities - A14B5C2_oP168_62_8c100d_8c27d_7c4d:Al-Co-Si, expected Al208Co62Si15 to be Al14Co5Si2" +mp-1214980,Al11(CoSi)6,-5.4715942282,-0.4105877464,0.0,-0.0114489237,GGA,P2_1/c,A11B6C6_mP92_14_11e_6e_6e:Al-Co-Si,92.0,A11B6C6_mP92_14_11e_6e_6e:Al-Co-Si +mp-6186,Al2Co3(SiO4)3,-7.914228779,-2.6916125955,0.0480725111,0.0480725111,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Co-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Co-O-Si +mp-1163946,AlCo3(SiO4)3,-7.4945855332,-2.1942303837,0.3046185468,0.3046185468,GGA+U,Ia-3,AB3C12D3_cI152_206_a_d_2e_d:Al-Co-O-Si,76.0,"Invalid WP multiplicities - AB3C12D3_cI152_206_a_d_19e_d:Al-Co-O-Si, expected AlCo3(SiO38)3 to be AlCo3(SiO4)3" +mp-10010,Al(CoSi)2,-6.273086738,-0.510517242,0.0,-0.0008077497,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Al-Co-Si,5.0,AB2C2_hP5_164_a_d_d:Al-Co-Si +mp-1044552,Al4Co13Si2(SbO14)2,-7.4859905512,-2.077697549,0.0175646136,0.0175646136,GGA+U,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Co-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Co-O-Sb-Si, expected Al4Co37Si2(SbO46)2 to be Al4Co13Si2(SbO14)2" +mp-1015811,AlCo2Si,-5.3793710875,0.467511275,1.0634468481,1.0634468481,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Co-Si,4.0,AB2C_oI8_71_a_e_b:Al-Co-Si +mp-1214851,Al3Co3Si4,-5.8541264585,-0.427831159,0.0,-0.0010985841,GGA,Im-3m,A3B3C4_cI40_229_d_e_f:Al-Co-Si,20.0,A3B3C4_cI40_229_d_e_f:Al-Co-Si +mp-1214536,Ba3HoRu2O9,-7.5344084183,-2.6405192736,0.0,-0.0024573857,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ho-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ho-O-Ru +mp-560380,Ba4Ho(RuO4)3,-7.5000493855,-2.5279603463,0.0,-0.0003252944,GGA,R-3m,A4BC12D3_hR60_166_2c_a_2h_bc:Ba-Ho-O-Ru,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_166_2c_a_5h_b2c:Ba-Ho-O-Ru, expected Ba4Ho(RuO6)5 to be Ba4Ho(RuO4)3" +mp-6609,Ba2HoRuO6,-7.595754327,-2.8582649713,0.0,-0.065002452,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Ru,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Ru +mp-866111,Ho2IrRu,-7.469969075,-0.65055546,0.0079624961,0.0079624961,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Ir-Ru +mp-1228398,Ba3HoIrRuO9,-7.461055328,-2.5962307406000003,0.0,-0.0160944948,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_a_b_3c_b:Ba-Ho-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_a_b_5c_b:Ba-Ho-Ir-O-Ru, expected Ba5HoIrRuO15 to be Ba3HoIrRuO9" +mp-865318,Lu2MgRu,-5.2404663625,-0.261320455,0.0746382871,0.0746382871,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Lu-Mg-Ru,4.0,A2BC_cF16_225_c_a_b:Lu-Mg-Ru +mp-2240300,Ba2LuMgRuO6,-7.1184279855,-2.6717265984000003,0.2467234707,0.2467234707,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Lu-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Lu-Mg-O-Ru, expected Ba2LuMgRuO10 to be Ba2LuMgRuO6" +mp-2222944,Ba2LuMgRuO6,-7.0024598518,-2.5557584648,0.3626916044,0.3626916044,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Lu-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Lu-Mg-O-Ru, expected Ba2LuMgRuO12 to be Ba2LuMgRuO6" +mp-1521559,NaLaHfSnO6,-8.014838057,-3.0242955019,0.1426308544,0.1426308544,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Sn +mp-1518369,NaLaHf2O6,-9.18057724,-3.5952729674,0.0548997847,0.0548997847,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Hf-La-Na-O,10.0,A2BCD6_cF40_225_c_a_b_d:Hf-La-Na-O +mp-1521749,NaLa(SnO3)2,-6.804939288,-2.4091584504,0.1890701661,0.1890701661,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Sn,10.0,ABC6D2_cF40_225_a_b_d_c:La-Na-O-Sn +mp-20620,Ba2NbInO6,-7.59820443,-2.9610973383,0.0,-0.0434819653,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-In-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-In-Nb-O +mp-1516647,BaHfNbInO6,-8.508775878,-3.0678473772,0.094773492,0.094773492,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Hf-In-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Hf-In-Nb-O +mp-1228349,Ba3HfNb4O15,-8.9874901098,-3.3214177324,0.0142595553,0.0142595553,GGA,P4bm,A3BC4D15_tP46_100_ac_b_d_bc3d:Ba-Hf-Nb-O,46.0,A3BC4D15_tP46_100_ac_b_d_bc3d:Ba-Hf-Nb-O +mp-1523375,Sr2GdSbO6,-8.1794380512,-3.0530137858,0.0,-0.049151544,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Gd-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Gd-O-Sb-Sr +mp-1523327,Sr2GdSbO6,-8.14064434,-3.0142200746,0.0387937112,-0.0103578328,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Gd-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Gd-O-Sb-Sr +mp-1523308,BaSrGdSbO6,-8.1999142657,-3.0505418517,0.0047624599,0.0047624599,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Gd-O-Sb-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Gd-O-Sb-Sr +mp-1516185,Ba2GdSbO6,-8.2289719345,-3.0566513717,0.0009434655,-0.0950698278,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Gd-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Gd-O-Sb +mp-753668,Ba2GdSbO6,-8.2299154,-3.0575948372,0.0,-0.0960132933,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-Sb +mp-608408,Ba2GdSbO6,-6.231239381,-1.0589188183,1.998676019,1.9026627257,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Ba-Gd-O-Sb,10.0,A2BC6D_cF40_225_c_a_d_b:Ba-Gd-O-Sb +mp-1023142,CaMg6Nb,-2.5045456381,0.2090275144,0.2611524472,0.2611524472,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Nb, expected CaMg12Nb to be CaMg6Nb" +mp-1023193,CaMg6Nb,-2.6003832300000003,0.1131899225,0.1653148553,0.1653148553,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ca-Mg-Nb,8.0,AB6C_tP8_123_a_fk_c:Ca-Mg-Nb +mp-1031860,CaMg6NbO8,-6.5984113787,-2.7682804469,0.238923239,0.238923239,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ca-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ca-Mg-Nb-O, expected CaMg6NbO12 to be CaMg6NbO8" +mp-1031872,CaMg6NbO8,-6.5475261094,-2.7173951775000003,0.2898085083,0.2898085083,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ca-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ca-Mg-Nb-O, expected CaMg6NbO12 to be CaMg6NbO8" +mp-1037899,CaMg30NbO32,-6.3874902825,-2.9748442641,0.0674868819,0.0674868819,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ca-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ca-Mg-Nb-O, expected CaMg110NbO72 to be CaMg30NbO32" +mp-1037903,CaMg30NbO32,-6.3849122959,-2.9722662775,0.0700648685,0.0700648685,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ca-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ca-Mg-Nb-O, expected CaMg90NbO80 to be CaMg30NbO32" +mp-1520122,CaEuMgNbO6,-8.448883605,-3.0844517013,0.1379016575,0.1379016575,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Mg-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Mg-Nb-O +mp-1028115,CaMg14Nb,-2.0576863531,0.0992402481,0.1376268617,0.1376268617,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Nb, expected CaMg18Nb to be CaMg14Nb" +mp-1028106,CaMg14Nb,-2.0605390775,0.0963875237,0.1347741374,0.1347741374,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Nb, expected CaMg26Nb to be CaMg14Nb" +mp-1036357,CaMg14NbO16,-6.4372593556,-2.8854516994,0.1451702932,0.1451702932,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ca-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ca-Mg-Nb-O, expected CaMg18NbO20 to be CaMg14NbO16" +mp-1036325,CaMg14NbO16,-6.4426988234,-2.8908911672,0.1397308254,0.1397308254,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ca-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ca-Mg-Nb-O, expected CaMg30NbO32 to be CaMg14NbO16" +mp-1183637,CaEuMg2,-3.9255094475,-0.0597190025,0.0263806237,0.0263806237,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Mg,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Mg +mp-1210150,NaZn2Se2O7,-5.2620843698,-1.4736963325,0.1273408819,0.1273408819,GGA,Pnma,AB7C2D2_oP48_62_c_3c2d_2c_ac:Na-O-Se-Zn,48.0,AB7C2D2_oP48_62_c_3c2d_2c_ac:Na-O-Se-Zn +mp-1523141,BaSr(NiO3)4,-5.6420661078,-0.8593283495,0.4214928197,0.4214928197,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Ni-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Ni-O-Sr, expected BaSr(NiO4)4 to be BaSr(NiO3)4" +mp-1517390,BaSrNiBiO6,-6.247662887,-1.9567402399,0.0925285979,0.0925285979,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ni-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ni-O-Sr +mp-2232458,Gd2MgMo2(ClO4)2,-8.95347379,-2.6391799393,0.1216279585,0.1216279585,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Gd-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_8c:Cl-Gd-Mg-Mo-O, expected Gd2MgMo2(ClO8)2 to be Gd2MgMo2(ClO4)2" +mp-2232476,Gd2MgMo2(ClO4)2,-8.9340914147,-2.619797564,0.1410103338,0.1410103338,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Gd-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_8c:Cl-Gd-Mg-Mo-O, expected Gd2MgMo2(ClO8)2 to be Gd2MgMo2(ClO4)2" +mp-559032,GdMoClO4,-9.3216941457,-2.6706850236,0.0,-0.0216837017,GGA+U,C2/m,ABCD4_mC28_12_i_i_i_2ij:Cl-Gd-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_4i3j:Cl-Gd-Mo-O, expected GdMoClO10 to be GdMoClO4" +mp-2217660,Ba2TbMgSbO6,-6.6425207018,-2.653272562,0.3714537922,0.3714537922,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-Sb-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a3b_a_a:Ba-Mg-O-Sb-Tb, expected Ba2TbMgSbO8 to be Ba2TbMgSbO6" +mp-2218091,Ba2TbMgSbO6,-6.5346786482,-2.5454305084,0.4792958458,0.4792958458,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Sb-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_e2l_a_b:Ba-Mg-O-Sb-Tb, expected Ba2TbMgSbO10 to be Ba2TbMgSbO6" +mp-2217735,Ba2TbMgSbO6,-6.7874472873,-2.7981991475,0.2265272067,0.2265272067,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Sb-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Sb-Tb, expected Ba2TbMgSbO15 to be Ba2TbMgSbO6" +mp-1518037,BaEuNbSbO6,-8.408945157,-2.8003036282,0.1261766505,0.1261766505,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Eu-Nb-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Eu-Nb-O-Sb, expected BaEuNbSbO12 to be BaEuNbSbO6" +mp-1518109,BaEuNbSbO6,-8.3779283215,-2.7692867928,0.157193486,0.157193486,GGA,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Eu-Nb-O-Sb,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Eu-Nb-O-Sb +mp-1518210,BaEuNbSbO6,-8.35200253,-2.7433610012000003,0.1831192775,0.1831192775,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Sb +mp-2230105,Ba2Tb2MgCo4O11,-7.0212701275,-2.1435796708,0.3600640226,0.3600640226,GGA+U,Pmmm,A2B4CD11E2_oP20_47_n_ik_b_aefjly_p:Ba-Co-Mg-O-Tb,20.0,A2B4CD11E2_oP20_47_n_ik_b_aefjly_p:Ba-Co-Mg-O-Tb +mp-2229990,Ba2Tb2MgCo4O11,-7.0614156035,-2.1837251468,0.3199185466,0.3199185466,GGA+U,Pmmm,A2B4CD11E2_oP20_47_n_ik_c_abejly_p:Ba-Co-Mg-O-Tb,20.0,A2B4CD11E2_oP20_47_n_ik_c_abejly_p:Ba-Co-Mg-O-Tb +mp-1070837,TbMgCo4,-5.919536655,-0.1415504333,0.0,-0.0235406699,GGA,F-43m,A4BC_cF24_216_e_a_c:Co-Mg-Tb,6.0,A4BC_cF24_216_e_a_c:Co-Mg-Tb +mp-1208464,Tb4MgCo,-4.6866464654,-0.1456360913,0.0,-0.0225443704,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Mg-Tb,24.0,ABC4_cF96_216_e_e_efg:Co-Mg-Tb +mp-22456,Ba2Tb2Co4O11,-7.3588454347,-2.3086596935,0.0912453618,0.0912453618,GGA+U,Pmmm,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Tb,19.0,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Tb +mp-569343,Tb4Mg3Co2,-4.3296121078,-0.1568409811,0.0,-0.0259313344,GGA,P2/m,A2B3C4_mP9_10_m_am_2n:Co-Mg-Tb,9.0,"Invalid WP multiplicities - A2B3C4_mP9_10_m_a2m_2n:Co-Mg-Tb, expected Tb4Mg5Co2 to be Tb4Mg3Co2" +mp-1030980,RbNaMg6O7,-5.367762474,-2.265658431,0.4358006541,0.4358006541,GGA,P4mm,A6BC7D_tP15_99_ab2c_a_a2b2c_b:Mg-Na-O-Rb,15.0,"Invalid WP multiplicities - A6BC7D_tP15_99_ab4c_a_a2b4c_b:Mg-Na-O-Rb, expected RbNaMg10O11 to be RbNaMg6O7" +mp-1030794,RbNaMg6O7,-5.3230137887,-2.2209097457,0.4805493394,0.4805493394,GGA,P4mm,A6BC7D_tP15_99_2b2c_a_2ab2c_a:Mg-Na-O-Rb,15.0,"Invalid WP multiplicities - A6BC7D_tP15_99_2b4c_a_2ab4c_a:Mg-Na-O-Rb, expected RbNaMg10O11 to be RbNaMg6O7" +mp-1030747,RbNaMg6O7,-5.327311814,-2.225207771,0.4762513141,0.4762513141,GGA,P4mm,A6BC7D_tP15_99_2b2c_a_a2b2c_a:Mg-Na-O-Rb,15.0,"Invalid WP multiplicities - A6BC7D_tP15_99_2b4c_a_a2b4c_a:Mg-Na-O-Rb, expected RbNaMg10O11 to be RbNaMg6O7" +mp-1030758,RbNaMg6O7,-5.255586288,-2.153482245,0.5479768401,0.5479768401,GGA,P4mm,A6BC7D_tP15_99_ab2c_a_2ab2c_b:Mg-Na-O-Rb,15.0,"Invalid WP multiplicities - A6BC7D_tP15_99_ab4c_a_2ab4c_b:Mg-Na-O-Rb, expected RbNaMg10O11 to be RbNaMg6O7" +mp-2217629,Na2Mg(MoO3)2,-7.0486302927,-1.9925609178,0.2130586441,0.2130586441,GGA+U,P1,AB2C2D6_aP11_1_a_2a_2a_6a:Mg-Mo-Na-O,11.0,AB2C2D6_aP11_1_a_2a_2a_6a:Mg-Mo-Na-O +mp-1210518,Na3Mg2(MoO4)3,-7.2246214035,-2.2713538612,0.0471591958,0.0471591958,GGA+U,C2/c,A2B3C3D12_mC80_15_f_ef_a2e_6f:Mg-Mo-Na-O,40.0,A2B3C3D12_mC80_15_f_ef_a2e_6f:Mg-Mo-Na-O +mp-1104938,Rb3Na(MoO4)2,-6.8714137893,-2.1907754021,0.0,-0.0015193843,GGA+U,P-3m1,A2BC8D3_hP14_164_d_a_di_bd:Mo-Na-O-Rb,14.0,A2BC8D3_hP14_164_d_a_di_bd:Mo-Na-O-Rb +mp-1221800,Na2Mg3(MoO4)4,-7.5536502129,-2.3546297907,0.0,-0.0010932724,GGA+U,P1,A3B4C2D16_aP75_1_9a_12a_6a_48a:Mg-Mo-Na-O,75.0,A3B4C2D16_aP75_1_9a_12a_6a_48a:Mg-Mo-Na-O +mp-2227755,RbMgMoO3,-6.1911975533,-1.480109159,0.8214527513000001,0.8214527513000001,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Mo-O-Rb,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Mo-O-Rb +mp-2242203,RbMgMoO3,-6.4166901817,-1.7056017873,0.5959601229,0.5959601229,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Mo-O-Rb,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Mo-O-Rb +mp-555325,RbNaMo3O10,-7.6957369037,-2.0752771164,0.0097773594,0.0097773594,GGA+U,Pnma,A3BC10D_oP60_62_cd_c_4c3d_c:Mo-Na-O-Rb,60.0,"Invalid WP multiplicities - A3BC10D_oP60_62_4c5d_c_13c20d_c:Mo-Na-O-Rb, expected RbNaMo14O53 to be RbNaMo3O10" +mp-2230377,Na4Mg(Mo2O5)2,-7.0808250216,-1.8313582439,0.2428865387,0.2428865387,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O +mp-2230140,Na4Mg(Mo2O5)2,-7.1069390621,-1.8574722844,0.2167724982,0.2167724982,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O +mp-2230460,Na4Mg(Mo2O5)2,-7.0297649011,-1.7802981234000002,0.2939466592,0.2939466592,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O +mp-2231904,Na4Mg(Mo2O5)2,-7.0810577479,-1.8315909702,0.2426538124,0.2426538124,GGA+U,P1,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O,19.0,AB4C4D10_aP19_1_a_4a_4a_10a:Mg-Mo-Na-O +mp-2230012,Na4Mg(Mo2O5)2,-7.0606500489,-1.8111832712,0.2630615113,0.2630615113,GGA+U,C2,AB4C4D10_mC38_5_a_abc_2c_5c:Mg-Mo-Na-O,19.0,AB4C4D10_mC38_5_a_abc_2c_5c:Mg-Mo-Na-O +mp-1017345,RbNaMg6,-1.2537983781,0.2342940801,0.2522446995,0.2522446995,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Rb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Rb, expected RbNaMg12 to be RbNaMg6" +mp-1017390,RbNaMg6,-1.2647139362,0.223378522,0.2413291414,0.2413291414,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Rb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Rb, expected RbNaMg12 to be RbNaMg6" +mp-1026692,RbNaMg14,-1.4048059194,0.1393803347,0.1603227241,0.1603227241,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Rb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Rb, expected RbNaMg18 to be RbNaMg14" +mp-1026667,RbNaMg14,-1.3846128888,0.1595733654,0.1805157547,0.1805157547,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Rb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Rb, expected RbNaMg26 to be RbNaMg14" +mp-1210397,Na3Mg4(MoO4)6,-7.5219378703,-2.2742858213,0.0239149297,0.0239149297,GGA+U,P-1,A4B6C3D24_aP37_2_2i_3i_ai_12i:Mg-Mo-Na-O,37.0,A4B6C3D24_aP37_2_2i_3i_ai_12i:Mg-Mo-Na-O +mp-1039846,RbNaMg30O31,-6.1090166489,-2.8763371106,0.0937552807,0.0937552807,GGA,Pmm2,A30BC31D_oP63_25_ab2c2d2e2f2g2h2i_a_2ab2c2d2e2f2g2h2i_b:Mg-Na-O-Rb,63.0,"Invalid WP multiplicities - A30BC31D_oP63_25_ab2c2d4e4f2g2h2i_a_2ab2c2d4e4f2g2h2i_b:Mg-Na-O-Rb, expected RbNaMg38O39 to be RbNaMg30O31" +mp-1039809,RbNaMg30O31,-6.0883535459,-2.8556740075,0.1144183837,0.1144183837,GGA,Pmm2,A30BC31D_oP63_25_2abc2d2e2f2g2h2i_b_2a2b2cd2e2f2g2h2i_c:Mg-Na-O-Rb,63.0,"Invalid WP multiplicities - A30BC31D_oP63_25_2abc2d2e2f4g4h2i_b_2a2b2cd2e2f4g4h2i_c:Mg-Na-O-Rb, expected RbNaMg38O39 to be RbNaMg30O31" +mp-1039970,RbNaMg30O31,-6.0784134608,-2.8457339225,0.1243584688,0.1243584688,GGA,Pmm2,A30BC31D_oP63_25_ab2c2d2e2f2g2h2i_a_a2b2c2d2e2f2g2h2i_b:Mg-Na-O-Rb,63.0,"Invalid WP multiplicities - A30BC31D_oP63_25_ab2c2d4e4f2g2h2i_a_a2b2c2d4e4f2g2h2i_b:Mg-Na-O-Rb, expected RbNaMg38O39 to be RbNaMg30O31" +mp-1039826,RbNaMg30O31,-6.0853627065,-2.8526831682,0.117409223,0.117409223,GGA,P4mm,A30BC31D_tP63_99_ab2c2d2e2f_a_a2b2c2d2e2f_b:Mg-Na-O-Rb,63.0,"Invalid WP multiplicities - A30BC31D_tP63_99_ab2c2d6e6f_a_a2b2c2d6e6f_b:Mg-Na-O-Rb, expected RbNaMg62O63 to be RbNaMg30O31" +mp-1221409,Na2Mg5(MoO4)6,-7.6336203589,-2.3784614247,0.0,-0.0051977517,GGA+U,P1,A5B6C2D24_aP37_1_5a_6a_2a_24a:Mg-Mo-Na-O,37.0,A5B6C2D24_aP37_1_5a_6a_2a_24a:Mg-Mo-Na-O +mp-1017321,NaMg6Mo,-2.5038614475000003,0.2173705154,0.2353211349,0.2353211349,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Na,16.0,"Invalid WP multiplicities - A6BC_tP8_123_2e2j_b_d:Mg-Mo-Na, expected NaMg12Mo to be NaMg6Mo" +mp-1017325,NaMg6Mo,-2.4024502787,0.3187816842,0.3367323036,0.3367323036,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Na,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Na, expected NaMg12Mo to be NaMg6Mo" +mp-1098241,NaMg6Mo,-2.5064797175,0.2147522454,0.2327028649,0.2327028649,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Mo-Na,8.0,A6BC_tP8_123_ej_b_d:Mg-Mo-Na +mp-2228624,Rb4Mg(MoO4)2,-6.50533919,-2.05285744,0.1513158012,0.1513158012,GGA+U,P1,AB2C8D4_aP15_1_a_2a_8a_4a:Mg-Mo-O-Rb,15.0,AB2C8D4_aP15_1_a_2a_8a_4a:Mg-Mo-O-Rb +mp-2232370,Rb3NaMg(MoO4)2,-6.5075646873,-2.0322835226,0.1879405623,0.1879405623,GGA+U,C2/m,AB2CD8E3_mC30_12_b_i_a_2ij_ci:Mg-Mo-Na-O-Rb,15.0,"Invalid WP multiplicities - AB2CD8E3_mC30_12_a_i_b_3i2j_ci:Mg-Mo-Na-O-Rb, expected Rb3NaMg(MoO7)2 to be Rb3NaMg(MoO4)2" +mp-2232108,Rb3NaMg(MoO4)2,-6.4744691367,-1.9991879719,0.221036113,0.221036113,GGA+U,P3m1,AB2CD8E3_hP15_156_a_bc_a_bc2d_abc:Mg-Mo-Na-O-Rb,15.0,AB2CD8E3_hP15_156_a_bc_a_bc2d_abc:Mg-Mo-Na-O-Rb +mp-1026681,NaMg14Mo,-2.0041123687,0.1566436377,0.177586027,0.177586027,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Na,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Na, expected NaMg18Mo to be NaMg14Mo" +mp-1026661,NaMg14Mo,-2.0210921612,0.1396638452,0.1606062345,0.1606062345,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Na,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Na, expected NaMg26Mo to be NaMg14Mo" +mp-1100163,RbMg6Mo,-2.16644572,0.5120373403,0.5226062739,0.5226062739,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Rb,8.0,A6BC_oC16_38_abde_a_b:Mg-Mo-Rb +mp-1017220,RbMg6Mo,-2.2810672812,0.3974157791,0.4079847127,0.4079847127,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Mo-Rb,8.0,A6BC_tP8_123_ej_b_d:Mg-Mo-Rb +mp-1017158,RbMg6Mo,-2.2307029175,0.4477801428,0.4583490764,0.4583490764,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Mg-Mo-Rb,8.0,A6BC_hP8_187_jk_a_d:Mg-Mo-Rb +mp-2227232,NaMgMoO3,-6.4547779867,-1.6866910555,0.5937253517000001,0.5937253517000001,GGA+U,P4mm,ABCD3_tP6_99_a_b_a_bc:Mg-Mo-Na-O,6.0,ABCD3_tP6_99_a_b_a_bc:Mg-Mo-Na-O +mp-2225340,NaMgMoO3,-6.5418245467,-1.7737376155,0.5066787917,0.5066787917,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:Mg-Mo-Na-O,6.0,ABCD3_hR18_160_a_a_a_b:Mg-Mo-Na-O +mp-1210378,Rb2Mg2(MoO4)3,-7.4592931871,-2.3509330234,0.0,-0.0168491887,GGA+U,P2_13,A2B3C12D2_cP76_198_2a_b_4b_2a:Mg-Mo-O-Rb,76.0,A2B3C12D2_cP76_198_2a_b_4b_2a:Mg-Mo-O-Rb +mp-2228694,Na4Mg(MoO4)2,-6.589646136,-2.0459667271,0.1532249448,0.1532249448,GGA+U,C2,AB2C4D8_mC30_5_a_ab_2c_4c:Mg-Mo-Na-O,15.0,"Invalid WP multiplicities - AB2C4D8_mC30_5_a_ab_2c_7c:Mg-Mo-Na-O, expected Na4Mg(MoO7)2 to be Na4Mg(MoO4)2" +mp-2228637,Na4Mg(MoO4)2,-6.5042260107,-1.9605466017,0.2386450701,0.2386450701,GGA+U,F222,AB2C4D8_oF60_22_a_bc_ej_2k:Mg-Mo-Na-O,15.0,AB2C4D8_oF60_22_a_bc_ej_2k:Mg-Mo-Na-O +mp-2228651,Na4Mg(MoO4)2,-6.5866771867,-2.0429977777,0.1561938941,0.1561938941,GGA+U,Imm2,AB2C4D8_oI30_44_a_ab_cd_2c2d:Mg-Mo-Na-O,15.0,"Invalid WP multiplicities - AB2C4D8_oI30_44_a_ab_2cd_4c3d:Mg-Mo-Na-O, expected Na6Mg(MoO7)2 to be Na4Mg(MoO4)2" +mp-2228638,Na4Mg(MoO4)2,-6.447253128,-1.9035737191,0.2956179528,0.2956179528,GGA+U,R-3m,AB2C4D8_hR45_166_b_c_ad_ch:Mg-Mo-Na-O,15.0,"Invalid WP multiplicities - AB2C4D8_hR45_166_b_c_ad_2c3h:Mg-Mo-Na-O, expected Na4Mg(MoO11)2 to be Na4Mg(MoO4)2" +mp-2228712,Na4Mg(MoO4)2,-6.3776514287,-1.8339720197,0.3652196521,0.3652196521,GGA+U,F-43m,AB2C4D8_cF60_216_a_bc_e_2e:Mg-Mo-Na-O,15.0,"Invalid WP multiplicities - AB2C4D8_cF60_216_a_bc_e_5e:Mg-Mo-Na-O, expected Na4Mg(MoO10)2 to be Na4Mg(MoO4)2" +mp-1026710,RbMg14Mo,-1.8641770244,0.2752045308,0.2875349533,0.2875349533,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Rb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Rb, expected RbMg18Mo to be RbMg14Mo" +mp-1026673,RbMg14Mo,-1.8809135369,0.2584680183,0.2707984408,0.2707984408,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Rb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Rb, expected RbMg26Mo to be RbMg14Mo" +mp-1034563,RbNaMg14O15,-5.8677414655,-2.6771830547,0.2062534313,0.2062534313,GGA,Pmm2,A14BC15D_oP31_25_a2bc2d2e2f_a_2a2bc2d2e2f_c:Mg-Na-O-Rb,31.0,A14BC15D_oP31_25_a2bc2d2e2f_a_2a2bc2d2e2f_c:Mg-Na-O-Rb +mp-1034663,RbNaMg14O15,-5.8389962713,-2.6484378605,0.2349986255,0.2349986255,GGA,Pmm2,A14BC15D_oP31_25_a2bc2d2e2f_a_2a2bc2d2e2f_c:Mg-Na-O-Rb,31.0,A14BC15D_oP31_25_a2bc2d2e2f_a_2a2bc2d2e2f_c:Mg-Na-O-Rb +mp-1034797,RbNaMg14O15,-5.8664599894,-2.6759015786,0.2075349075,0.2075349075,GGA,Pmm2,A14BC15D_oP31_25_a2bc2d2e2f_a_a2b2c2d2e2f_c:Mg-Na-O-Rb,31.0,A14BC15D_oP31_25_a2bc2d2e2f_a_a2b2c2d2e2f_c:Mg-Na-O-Rb +mp-1034839,RbNaMg14O15,-5.8313713368,-2.640812926,0.24262356,0.24262356,GGA,Pmm2,A14BC15D_oP31_25_a2bc2d2e2f_a_a2b2c2d2e2f_c:Mg-Na-O-Rb,31.0,A14BC15D_oP31_25_a2bc2d2e2f_a_a2b2c2d2e2f_c:Mg-Na-O-Rb +mp-1076761,Sr3Ca(Fe2O5)2,-7.402470516,-2.3790787276,0.0152852207,0.0152852207,GGA+U,P1,AB4C10D3_aP144_1_8a_32a_80a_24a:Ca-Fe-O-Sr,144.0,AB4C10D3_aP144_1_8a_32a_80a_24a:Ca-Fe-O-Sr +mp-1517238,SrCa(FeO3)4,-6.8591254111,-1.4738230384,0.2376964995,0.2376964995,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Fe-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Fe-O-Sr, expected SrCa(FeO4)4 to be SrCa(FeO3)4" +mp-1652433,Sr4Ca(FeO3)5,-7.2259368596,-2.2133764431,0.0119465987,0.0119465987,GGA+U,P2/m,AB5C15D4_mP25_10_h_a2m_bcd4m2n_2n:Ca-Fe-O-Sr,50.0,"Invalid WP multiplicities - AB5C15D4_tP25_83_c_2b2k_afj2k_j:Ca-Fe-O-Sr, expected Sr4Ca(Fe2O3)5 to be Sr4Ca(FeO3)5" +mp-1218523,Sr4Ca(FeO3)5,-7.226000559,-2.2134401425,0.0118828993,0.0118828993,GGA+U,P4/m,AB5C15D4_tP25_83_c_bk_afj2k_j:Ca-Fe-O-Sr,50.0,AB5C15D4_tP25_83_c_bk_afj2k_j:Ca-Fe-O-Sr +mp-1981530,SrEu2Fe2O7,-8.6890776371,-2.5415475994,0.0393086633,0.0393086633,GGA+U,Cmcm,A2B2C7D_oC48_63_g_g_c2eg_c:Eu-Fe-O-Sr,24.0,A2B2C7D_oC48_63_g_g_c2eg_c:Eu-Fe-O-Sr +mp-603128,SrEu2Fe2O7,-8.7129777752,-2.5654477375,0.0154085252,0.0154085252,GGA+U,P4_2/mnm,A2B2C7D_tP48_136_j_j_2efhj_g:Eu-Fe-O-Sr,48.0,"Invalid WP multiplicities - A2B2C7D_tP48_136_j_j_7e4f7h6j_g:Eu-Fe-O-Sr, expected SrEu2Fe2O37 to be SrEu2Fe2O7" +mp-21671,SrEu2Fe2O7,-8.6897447819,-2.5422147442,0.0386415185,0.0386415185,GGA+U,P4_2/mnm,A2B2C7D_tP48_136_j_j_2efhj_g:Eu-Fe-O-Sr,48.0,A2B2C7D_tP48_136_j_j_2efhj_g:Eu-Fe-O-Sr +mp-1218406,SrCa2(FeO2)3,-7.3578202483,-2.2919128224,0.0732166883,0.0732166883,GGA+U,P4/mmm,A2B3C6D_tP12_123_g_dh_ei_a:Ca-Fe-O-Sr,12.0,"Invalid WP multiplicities - A2B3C6D_tP12_123_g_dh_2e3i_a:Ca-Fe-O-Sr, expected SrCa2Fe3O16 to be SrCa2(FeO2)3" +mp-1218462,Sr4Ca(FeO2)5,-7.3187814642,-2.2897531215,0.0343899527,0.0343899527,GGA+U,Cmmm,AB5C10D4_oC40_65_c_a2g_e2p_2h:Ca-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB5C10D4_oC40_65_c_2a4g_e2p_2h:Ca-Fe-O-Sr, expected Sr4Ca(FeO)10 to be Sr4Ca(FeO2)5" +mp-1218832,Sr2EuFeO5,-7.9083524483,-2.7039687291,0.0604888183,0.0604888183,GGA+U,Fmmm,ABC5D2_oF72_69_g_h_dmo_fi:Eu-Fe-O-Sr,18.0,"Invalid WP multiplicities - ABC5D2_oF72_69_g_h_d2m2o_fi:Eu-Fe-O-Sr, expected Sr2EuFeO9 to be Sr2EuFeO5" +mp-1519945,SrCaEuFeO6,-7.630431307,-2.4202064459,0.1517977154,0.1517977154,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-Eu-Fe-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-Eu-Fe-O-Sr +mp-1218122,SrCa4(FeO2)5,-7.372872597,-2.2964282902,0.080411631,0.080411631,GGA+U,P4/mmm,A4B5C10D_tP20_123_2g_d2h_e2i_a:Ca-Fe-O-Sr,20.0,"Invalid WP multiplicities - A4B5C10D_tP20_123_3g_d3h_2e7i_a:Ca-Fe-O-Sr, expected SrCa6Fe7O32 to be SrCa4(FeO2)5" +mp-1641665,Sr3Ca(FeO3)4,-7.182986991,-2.1672655103,0.0583049919,0.0583049919,GGA+U,P1,AB4C12D3_aP20_1_a_4a_12a_3a:Ca-Fe-O-Sr,20.0,AB4C12D3_aP20_1_a_4a_12a_3a:Ca-Fe-O-Sr +mp-1094055,Sr3Ca(FeO3)4,-7.2280789775,-2.2123574968,0.0132130054,0.0132130054,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Fe-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_3c_2a2b7c_a2b:Ca-Fe-O-Sr, expected Sr3Ca(FeO3)6 to be Sr3Ca(FeO3)4" +mp-1076424,Sr3Ca(FeO3)4,-7.2261809555,-2.2104594748,0.0151110274,0.0151110274,GGA+U,P4/mmm,AB4C12D3_tP20_123_a_i_efr_bcd:Ca-Fe-O-Sr,20.0,"Invalid WP multiplicities - AB4C12D3_tP20_123_a_i_ef2r_bcd:Ca-Fe-O-Sr, expected Sr3Ca(FeO5)4 to be Sr3Ca(FeO3)4" +mp-1520248,SrNdHfTiO6,-8.966762401,-3.567716981,0.1439888243,0.1439888243,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Nd-O-Sr-Ti,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Nd-O-Sr-Ti +mp-1519398,SrNdTi4O12,-8.5673048,-3.1562007174,0.1410118951,0.1410118951,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Nd-O-Sr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Nd-O-Sr-Ti, expected SrNdTi4O18 to be SrNdTi4O12" +mp-1218162,SrNd2Ti4O12,-8.9298177305,-3.5525534716,0.0983500059,0.0983500059,GGA,P4/mmm,A2B12CD4_tP19_123_bc_efr_a_i:Nd-O-Sr-Ti,19.0,"Invalid WP multiplicities - A2B12CD4_tP19_123_bc_ef2r_a_i:Nd-O-Sr-Ti, expected SrNd2Ti4O20 to be SrNd2Ti4O12" +mp-1221327,Na2MnNiO4,-6.2360907338,-1.5643460583,0.1727083444,0.1727083444,GGA+U,R-3m,AB2CD4_hR24_166_a_c_b_2c:Mn-Na-Ni-O,8.0,"Invalid WP multiplicities - AB2CD4_hR24_166_a_c_b_3c:Mn-Na-Ni-O, expected Na2MnNiO6 to be Na2MnNiO4" +mp-555904,NaSmGeO4,-7.1834662021,-2.8333384695,0.0,-0.0430212638,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Sm,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Sm +mp-1206574,Sm2TiGe2,-4.739876948,0.5758670513,1.3323898859,1.3323898859,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Sm-Ti,5.0,A2B2C_tP5_123_g_g_a:Ge-Sm-Ti +mp-5919,SmTiGe,-6.3993560517,-0.6536540494,0.0,-0.0114454103,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Sm-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Sm-Ti +mp-10454,SmTiGe,-6.3657121217,-0.6200101194000001,0.03364393,0.0221985197,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-Sm-Ti,6.0,ABC_tI12_139_e_e_c:Ge-Sm-Ti +mp-1198914,Dy6Al43Cr4,-4.5586520993,-0.2697337671,0.0,-0.011214265,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Dy,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Dy +mp-1225667,Dy(AlCr)6,-6.6540009177,-0.1156527146,0.1013861677,0.1013861677,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cr-Dy,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cr-Dy +mp-985207,Dy(Al2Cr)4,-5.8414044854,-0.2118980731,0.0116447905,0.0116447905,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Dy,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cr-Dy, expected Dy(Al3Cr)4 to be Dy(Al2Cr)4" +mp-1228228,Al7Cr(Bi2O9)2,-7.4506933787,-2.7748789919,0.0,-0.0012389239,GGA+U,P2,A7B4CD18_mP30_3_a2d2e_2e_a_bc8e:Al-Bi-Cr-O,30.0,A7B4CD18_mP30_3_a2c2e_2e_a_bd8e:Al-Bi-Cr-O +mp-5594,Sc2Si2O7,-8.893929204500001,-3.6082569092,0.0,-0.0213775801,GGA,C2/m,A7B2C2_mC22_12_aij_h_i:O-Sc-Si,11.0,A7B2C2_mC22_12_aij_h_i:O-Sc-Si +mp-7640,Sc2Si2O7,-8.8088701991,-3.5231979037,0.0850590055,0.0636814253,GGA,Fd-3m,A7B2C2_cF88_227_af_c_d:O-Sc-Si,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_a2f_c_d:O-Sc-Si, expected Sc2Si2O13 to be Sc2Si2O7" +mp-849995,Li7Sc9Fe(SiO3)20,-8.2190524651,-3.2279969342,0.041921694,0.041921694,GGA+U,P1,AB7C60D9E20_aP97_1_a_7a_60a_9a_20a:Fe-Li-O-Sc-Si,97.0,AB7C60D9E20_aP97_1_a_7a_60a_9a_20a:Fe-Li-O-Sc-Si +mp-760050,Li7Sc9Fe(SiO3)20,-8.2173072871,-3.2262517562,0.043666872,0.043666872,GGA+U,C2,AB7C60D9E20_mC194_5_a_a3c_30c_b4c_10c:Fe-Li-O-Sc-Si,97.0,"Invalid WP multiplicities - AB7C60D9E20_mC194_5_a_a6c_60c_b7c_18c:Fe-Li-O-Sc-Si, expected Li13Sc15Fe(Si3O10)12 to be Li7Sc9Fe(SiO3)20" +mp-1186993,ScSiO3,-8.084743016000001,-2.7651723622,0.70782659,0.70782659,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Sc-Si,5.0,A3BC_cP5_221_c_a_b:O-Sc-Si +mp-766133,Li6ScFe5(SiO3)12,-7.9082164698,-2.8528710978,0.0082912877,0.0082912877,GGA+U,P1,A5B6C36DE12_aP60_1_5a_6a_36a_a_12a:Fe-Li-O-Sc-Si,60.0,A5B6C36DE12_aP60_1_5a_6a_36a_a_12a:Fe-Li-O-Sc-Si +mp-6224,LiScSiO4,-8.1537878886,-3.3747214819,0.0,-0.012554379,GGA,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-Sc-Si,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_5c3d_c_c:Li-O-Sc-Si, expected LiScSiO11 to be LiScSiO4" +mp-1209079,Sc2SiO5,-9.0568421166,-3.703879642,0.0172644884,0.0172644884,GGA,C2/c,A5B2C_mC64_15_5f_2f_f:O-Sc-Si,32.0,A5B2C_mC64_15_5f_2f_f:O-Sc-Si +mp-775186,Li8Sc5Fe3(SiO3)16,-8.0773131591,-3.1199389253,0.0060772135,0.0060772135,GGA+U,P2,A3B8C48D5E16_mP80_3_abc_abcd2e_24e_d2e_8e:Fe-Li-O-Sc-Si,80.0,"Invalid WP multiplicities - A3B8C48D5E16_mP80_3_abc_abcd4e_47e_d2e_16e:Fe-Li-O-Sc-Si, expected Li12Sc5Fe3(Si16O47)2 to be Li8Sc5Fe3(SiO3)16" +mp-766037,Li4ScFe3(SiO3)8,-7.9388053999,-2.9012729621,0.0080446513,0.0080446513,GGA+U,P1,A3B4C24DE8_aP80_1_6a_8a_48a_2a_16a:Fe-Li-O-Sc-Si,80.0,A3B4C24DE8_aP80_1_6a_8a_48a_2a_16a:Fe-Li-O-Sc-Si +mp-1222629,Li4ScFe3(SiO3)8,-7.9386985145,-2.9011660767,0.0081515367,0.0081515367,GGA+U,P2,A3B4C24DE8_mP40_3_abc_abcd_12e_d_4e:Fe-Li-O-Sc-Si,40.0,"Invalid WP multiplicities - A3B4C24DE8_mP40_3_abc_abcd_24e_d_8e:Fe-Li-O-Sc-Si, expected Li4ScFe3(SiO3)16 to be Li4ScFe3(SiO3)8" +mp-775172,Li5Sc2Fe3(SiO3)10,-7.9938565708,-2.9883874146,0.007609609,0.007609609,GGA+U,C2,A3B5C30D2E10_mC200_5_a5b_5a5b_30c_4a_10c:Fe-Li-O-Sc-Si,100.0,"Invalid WP multiplicities - A3B5C30D2E10_mC200_5_a5b_5a5b_60c_4a_19c:Fe-Li-O-Sc-Si, expected Li5Sc2Fe3Si19O60 to be Li5Sc2Fe3(SiO3)10" +mp-771836,Li2ScFe(SiO3)4,-8.030803552,-3.0467099168,0.0070733801,0.0070733801,GGA+U,C2,AB2C12DE4_mC40_5_a_ab_6c_b_2c:Fe-Li-O-Sc-Si,20.0,"Invalid WP multiplicities - AB2C12DE4_mC40_5_a_ab_12c_b_4c:Fe-Li-O-Sc-Si, expected Li2ScFe(SiO3)8 to be Li2ScFe(SiO3)4" +mp-1235717,LiSc4(Si2O7)2,-8.438071593,-3.2992144903,0.2085625156,0.2085625156,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Li-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a9b_ab_ab:Li-O-Sc-Si, expected LiSc4Si4O29 to be LiSc4(Si2O7)2" +mp-1235436,LiSc4(Si2O7)2,-8.3924608087,-3.2536037059,0.2541733,0.2541733,GGA,F-43m,AB14C4D4_cF92_216_a_bcfg_e_e:Li-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_cF92_216_a_bc3f3g_e_e:Li-O-Sc-Si, expected LiSc4(Si2O19)2 to be LiSc4(Si2O7)2" +mp-962070,LiScSi,-4.49746059,0.0581094106,0.5955924512,0.5955924512,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Sc-Si,3.0,ABC_cF12_216_a_c_b:Li-Sc-Si +mp-1235319,LiSc4(FeO3)4,-8.3932892886,-2.6561869713,0.1532768929,0.1532768929,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc +mp-1236487,LiSc4(FeO3)4,-8.4167741305,-2.6796718133,0.129792051,0.129792051,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc +mp-1236546,LiSc4(FeO3)4,-8.3882580729,-2.6511557556,0.1583081086,0.1583081086,GGA+U,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Fe-Li-O-Sc +mp-775203,Li8ScFe7(SiO3)16,-7.893169805,-2.8289179659,0.0081668057,0.0081668057,GGA+U,P1,A7B8C48DE16_aP80_1_7a_8a_48a_a_16a:Fe-Li-O-Sc-Si,80.0,A7B8C48DE16_aP80_1_7a_8a_48a_a_16a:Fe-Li-O-Sc-Si +mp-1178101,Li10Sc9Fe(SiO3)20,-8.1800635326,-3.2814719816,0.003456409,0.003456409,GGA+U,C2,AB10C60D9E20_mC200_5_a_ab4c_30c_b4c_10c:Fe-Li-O-Sc-Si,100.0,"Invalid WP multiplicities - AB10C60D9E20_mC200_5_a_ab8c_58c_b7c_18c:Fe-Li-O-Sc-Si, expected Li18Sc15Fe(Si9O29)4 to be Li10Sc9Fe(SiO3)20" +mp-6099,LiSc(SiO3)2,-8.2187844288,-3.3415683988,0.0011462652,0.0011462652,GGA,P2_1/c,AB6CD2_mP40_14_e_6e_e_2e:Li-O-Sc-Si,40.0,AB6CD2_mP40_14_e_6e_e_2e:Li-O-Sc-Si +mp-1180540,LiSc(SiO3)2,-8.2180640558,-3.3408480258,0.0018666382,0.0018666382,GGA,P2_1/c,AB6CD2_mP40_14_e_6e_e_2e:Li-O-Sc-Si,40.0,"Invalid WP multiplicities - AB6CD2_mP40_14_e_21e_e_4e:Li-O-Sc-Si, expected LiScSi4O21 to be LiSc(SiO3)2" +mp-6553,LiSc(SiO3)2,-8.2187617295,-3.3415456996,0.0011689645,0.0011689645,GGA,C2/c,AB6CD2_mC40_15_e_3f_e_f:Li-O-Sc-Si,20.0,"Invalid WP multiplicities - AB6CD2_mC40_15_e_5f_e_f:Li-O-Sc-Si, expected LiSc(SiO5)2 to be LiSc(SiO3)2" +mp-1213966,Cs3Li2Al(MoO4)4,-7.4203259587,-2.3134317856,0.006696491,0.006696491,GGA+U,I-42d,AB3C2D4E16_tI104_122_a_bd_d_e_4e:Al-Cs-Li-Mo-O,52.0,AB3C2D4E16_tI104_122_a_bd_d_e_4e:Al-Cs-Li-Mo-O +mp-551629,CsLiMoO4,-7.0395917214,-2.2629159795,0.0,-0.0218989591,GGA+U,F-43m,ABCD4_cF28_216_a_c_b_e:Cs-Li-Mo-O,7.0,ABCD4_cF28_216_a_c_b_e:Cs-Li-Mo-O +mp-505784,CsAl(MoO4)2,-7.8790249658,-2.3868759565,0.0,-0.0166757032,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Al-Cs-Mo-O,12.0,ABC2D8_hP12_164_a_b_d_di:Al-Cs-Mo-O +mp-774912,Li4Nb2Co3Sb3O16,-7.1097922582,-2.0848894714,0.1041130615,0.1041130615,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Nb-O-Sb,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Nb-O-Sb +mp-1518617,NaCeHfZrO6,-8.966945961,-3.4228823234,0.1658616738,0.1658616738,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-Na-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-Na-O-Zr +mp-1075969,Sr6Ca2MnFe7O24,-7.2759413918,-2.2429200589,0.0212567757,0.0212567757,GGA+U,Cmm2,A2B7CD24E6_oC80_35_d_a2b2c_a_2a2b2c4f_d2e:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A2B7CD24E6_oC80_35_d_a2b4c_a_2a2b4c12f_2d4e:Ca-Fe-Mn-O-Sr, expected Sr12Ca2MnFe11O60 to be Sr6Ca2MnFe7O24" +mp-1076163,Sr4Ca4Mn7FeO20,-7.6991744408,-2.5236667794,0.059514338,0.059514338,GGA+U,P1,A4BC7D20E4_aP144_1_16a_4a_28a_80a_16a:Ca-Fe-Mn-O-Sr,144.0,A4BC7D20E4_aP144_1_16a_4a_28a_80a_16a:Ca-Fe-Mn-O-Sr +mp-1099672,Sr5Ca3Mn7FeO20,-7.6890066303,-2.5222797029,0.052571535,0.052571535,GGA+U,P1,A3BC7D20E5_aP144_1_12a_4a_28a_80a_20a:Ca-Fe-Mn-O-Sr,144.0,A3BC7D20E5_aP144_1_12a_4a_28a_80a_20a:Ca-Fe-Mn-O-Sr +mp-1076177,Sr6Ca2Mn3(FeO4)5,-7.5009803381,-2.4199223761,0.0491200231,0.0491200231,GGA+U,P1,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Fe-Mn-O-Sr,144.0,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Fe-Mn-O-Sr +mp-1077671,Sr6Ca2Mn5(FeO8)3,-7.460648801,-2.35842806,0.0493727075,0.0493727075,GGA+U,P2,A2B3C5D24E6_mP40_3_e_a2c_a2b2d_2a2b2c2d8e_3e:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A2B3C5D24E6_mP40_3_e_a2d_a2b2c_2a2b2c2d12e_6e:Ca-Fe-Mn-O-Sr, expected Sr12Ca2Mn5Fe3O32 to be Sr6Ca2Mn5(FeO8)3" +mp-1099661,Sr7CaMn3(FeO4)5,-7.4882648881,-2.4159876602,0.0426325507,0.0426325507,GGA+U,P1,AB5C3D20E7_aP144_1_4a_20a_12a_80a_28a:Ca-Fe-Mn-O-Sr,144.0,AB5C3D20E7_aP144_1_4a_20a_12a_80a_28a:Ca-Fe-Mn-O-Sr +mp-1076445,Sr8MnFe7O24,-7.2733263675,-2.256110356,0.0027605296,0.0027605296,GGA+U,Pm-3m,A7BC24D8_cP40_221_acd_b_efh_g:Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7BC24D8_cP40_221_a2c2d_b_5e5f7h_g:Fe-Mn-O-Sr, expected Sr8MnFe13O144 to be Sr8MnFe7O24" +mp-1076487,Sr7CaMnFe7O20,-7.4226492873,-2.3888161751,0.0200184019,0.0200184019,GGA+U,P1,AB7CD20E7_aP144_1_4a_28a_4a_80a_28a:Ca-Fe-Mn-O-Sr,144.0,AB7CD20E7_aP144_1_4a_28a_4a_80a_28a:Ca-Fe-Mn-O-Sr +mp-1099692,Sr7CaMn4(FeO5)4,-7.5234980713,-2.4319987856,0.0515142423,0.0515142423,GGA+U,P1,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ca-Fe-Mn-O-Sr,144.0,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ca-Fe-Mn-O-Sr +mp-1076409,Sr8MnFe7O20,-7.4098497799,-2.3847974018,0.0136149869,0.0136149869,GGA+U,Cm,A7BC20D8_mC288_8_4a12b_4a_8a36b_16b:Fe-Mn-O-Sr,144.0,"Invalid WP multiplicities - A7BC20D8_mC288_8_4a22b_4a_8a72b_32b:Fe-Mn-O-Sr, expected Sr16Mn(Fe6O19)2 to be Sr8MnFe7O20" +mp-1099674,Sr2Ca2Mn3FeO12,-7.514270351,-2.3789444366,0.0725215669,0.0725215669,GGA+U,Pm,A2BC3D12E2_mP40_6_2a2b_c_3c_4a4b8c_2a2b:Ca-Fe-Mn-O-Sr,40.0,A2BC3D12E2_mP40_6_2a2b_c_3c_4a4b8c_2a2b:Ca-Fe-Mn-O-Sr +mp-1077670,Sr6Ca2Mn3Fe5O24,-7.369026865,-2.3014058281,0.0367358163,0.0367358163,GGA+U,P2,A2B5C3D24E6_mP40_3_e_a2b2d_a2c_2a2b2c2d8e_3e:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A2B5C3D24E6_mP40_3_e_a2b2c_a2d_2a2b2c2d12e_6e:Ca-Fe-Mn-O-Sr, expected Sr12Ca2Mn3Fe5O32 to be Sr6Ca2Mn3Fe5O24" +mp-1076597,Sr7CaMn2(FeO4)6,-7.3205886652,-2.2781701411,0.0205550313,0.0205550313,GGA+U,Amm2,AB6C2D24E7_oC80_38_a_cf_c_2a2bde4f_a2bde:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB6C2D24E7_oC80_38_a_2c2f_c_2a2bde16f_a2b2d2e:Ca-Fe-Mn-O-Sr, expected Sr11CaMn2(FeO6)12 to be Sr7CaMn2(FeO4)6" +mp-1076268,Sr2Ca6Mn5(FeO8)3,-7.4739517345,-2.3401203508,0.0801441183,0.0801441183,GGA+U,Amm2,A6B3C5D24E2_oC80_38_cf_ad_a2be_2c4d4ef_c:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A6B3C5D24E2_oC80_38_2c3f_ad_a2be_4c8d8e2f_c:Ca-Fe-Mn-O-Sr, expected Sr2Ca16Mn5(FeO16)3 to be Sr2Ca6Mn5(FeO8)3" +mp-1099788,Sr2Ca6Mn7FeO24,-7.5664545975,-2.3980235097,0.0958476841,0.0958476841,GGA+U,Amm2,A6BC7D24E2_oC80_38_cf_a_a2bde_2c4d4ef_c:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A6BC7D24E2_oC80_38_2c3f_a_a2bde_4c8d8e2f_c:Ca-Fe-Mn-O-Sr, expected Sr2Ca16Mn7FeO48 to be Sr2Ca6Mn7FeO24" +mp-1218555,Sr6Mn3FeO14,-7.3591843558,-2.5530731157,0.0157139098,0.0157139098,GGA+U,Amm2,AB3C14D6_oC48_38_a_a2b_3a3b2f_3a3b:Fe-Mn-O-Sr,24.0,AB3C14D6_oC48_38_a_a2b_3a3b2f_3a3b:Fe-Mn-O-Sr +mp-1076449,SrCa7Mn7FeO20,-7.7346622822,-2.5328124185,0.0753583373,0.0753583373,GGA+U,P1,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Fe-Mn-O-Sr,144.0,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Fe-Mn-O-Sr +mp-1120829,Sr3Ca5Mn7FeO24,-7.561748927,-2.4012204999,0.0889963593,0.0889963593,GGA+U,Cm,A5BC7D24E3_mC80_8_3ab_a_3a2b_4a10b_ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A5BC7D24E3_mC80_8_3a2b_a_3a4b_4a20b_a2b:Ca-Fe-Mn-O-Sr, expected Sr5Ca7Mn11FeO44 to be Sr3Ca5Mn7FeO24" +mp-1076080,Sr5Ca3Mn7FeO24,-7.555550155,-2.4108270492,0.0714386592,0.0714386592,GGA+U,Cm,A3BC7D24E5_mC80_8_ab_a_3a2b_4a10b_3ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A3BC7D24E5_mC80_8_a2b_a_3a4b_4a20b_3a2b:Ca-Fe-Mn-O-Sr, expected Sr7Ca5Mn11FeO44 to be Sr5Ca3Mn7FeO24" +mp-1075968,Sr3Ca5Mn4(FeO6)4,-7.425480793,-2.316851922,0.0644196492,0.0644196492,GGA+U,Cm,A5B4C4D24E3_mC80_8_3ab_2ab_2ab_4a10b_ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A5B4C4D24E3_mC80_8_3a2b_2a2b_2a2b_4a20b_a2b:Ca-Fe-Mn-O-Sr, expected Sr5Ca7Mn6(Fe3O22)2 to be Sr3Ca5Mn4(FeO6)4" +mp-1076482,Sr3Ca5Mn3(FeO4)5,-7.5342061997,-2.4268060355,0.0735029286,0.0735029286,GGA+U,P1,A5B5C3D20E3_aP144_1_20a_20a_12a_80a_12a:Ca-Fe-Mn-O-Sr,144.0,A5B5C3D20E3_aP144_1_20a_20a_12a_80a_12a:Ca-Fe-Mn-O-Sr +mp-1099696,SrCa7Mn7FeO24,-7.5702286717,-2.3938949233,0.1033885629,0.1033885629,GGA+U,R3m,A7BC7D24E_hR120_160_a2b_a_a2b_4b2c_a:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7BC7D24E_hR120_160_a6b_a_a4b_12b10c_a:Ca-Fe-Mn-O-Sr, expected SrCa19Mn13FeO96 to be SrCa7Mn7FeO24" +mp-1076410,Sr2Ca2Mn(FeO4)3,-7.3260061603,-2.2598796541,0.0441408147,0.0441408147,GGA+U,Pm,A2B3CD12E2_mP40_6_2a2b_3c_c_4a4b8c_2a2b:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A2B3CD12E2_mP40_6_2a2b_6c_c_4a4b16c_2a2b:Ca-Fe-Mn-O-Sr, expected Sr2Ca2Mn(Fe3O10)2 to be Sr2Ca2Mn(FeO4)3" +mp-1076796,Sr5Ca3Mn4(FeO6)4,-7.4201994365,-2.3273758869,0.0497586554,0.0497586554,GGA+U,Cm,A3B4C4D24E5_mC80_8_ab_2ab_2ab_4a10b_3ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A3B4C4D24E5_mC80_8_a2b_2a2b_2a2b_4a20b_3a2b:Ca-Fe-Mn-O-Sr, expected Sr7Ca5Mn6(Fe3O22)2 to be Sr5Ca3Mn4(FeO6)4" +mp-1076092,Sr7CaMn2(Fe3O10)2,-7.4557243615,-2.4026691915,0.0310582025,0.0310582025,GGA+U,P1,AB6C2D20E7_aP144_1_4a_24a_8a_80a_28a:Ca-Fe-Mn-O-Sr,144.0,AB6C2D20E7_aP144_1_4a_24a_8a_80a_28a:Ca-Fe-Mn-O-Sr +mp-1076197,Sr2Ca2Mn3FeO10,-7.6514552472,-2.4951696435,0.0652109656,0.0652109656,GGA+U,P1,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ca-Fe-Mn-O-Sr,144.0,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ca-Fe-Mn-O-Sr +mp-1076199,Sr5Ca3MnFe7O20,-7.4497446472,-2.3983500668,0.0313288867,0.0313288867,GGA+U,P1,A3B7CD20E5_aP144_1_12a_28a_4a_80a_20a:Ca-Fe-Mn-O-Sr,144.0,A3B7CD20E5_aP144_1_12a_28a_4a_80a_20a:Ca-Fe-Mn-O-Sr +mp-1076141,Sr5Ca3Mn4(FeO5)4,-7.5454129433,-2.4363521894,0.0680052151,0.0680052151,GGA+U,P1,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ca-Fe-Mn-O-Sr,144.0,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ca-Fe-Mn-O-Sr +mp-1076862,Sr2Ca6Mn5Fe3O20,-7.6148482476,-2.4602232336,0.0940166263,0.0940166263,GGA+U,P1,A6B3C5D20E2_aP144_1_24a_12a_20a_80a_8a:Ca-Fe-Mn-O-Sr,144.0,A6B3C5D20E2_aP144_1_24a_12a_20a_80a_8a:Ca-Fe-Mn-O-Sr +mp-1076651,Sr7CaMn3Fe5O24,-7.3673452238,-2.3076268475,0.025708979,0.025708979,GGA+U,Cm,AB5C3D24E7_mC80_8_a_3ab_ab_4a10b_3a2b:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB5C3D24E7_mC80_8_a_3ab_ab_4a20b_3a4b:Ca-Fe-Mn-O-Sr, expected Sr11CaMn3Fe5O44 to be Sr7CaMn3Fe5O24" +mp-1099701,Sr7CaMnFe7O24,-7.274746464,-2.2496277919,0.0136983067,0.0136983067,GGA+U,R3m,AB7CD24E7_hR120_160_a_a2b_a_4b2c_a2b:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB7CD24E7_hR120_160_a_a4b_a_12b9c_a6b:Ca-Fe-Mn-O-Sr, expected Sr19CaMnFe13O90 to be Sr7CaMnFe7O24" +mp-1076359,Sr4Ca4Mn7FeO24,-7.55750136,-2.4048755936,0.0816869309,0.0816869309,GGA+U,Cm,A4BC7D24E4_mC80_8_2ab_a_3a2b_4a10b_2ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A4BC7D24E4_mC80_8_2a2b_a_3a4b_4a20b_2a2b:Ca-Fe-Mn-O-Sr, expected Sr6Ca6Mn11FeO44 to be Sr4Ca4Mn7FeO24" +mp-1077691,SrCa7Mn6(FeO10)2,-7.6860318603,-2.5034040545,0.0819661932,0.0819661932,GGA+U,P1,A7B2C6D20E_aP144_1_28a_8a_24a_80a_4a:Ca-Fe-Mn-O-Sr,144.0,A7B2C6D20E_aP144_1_28a_8a_24a_80a_4a:Ca-Fe-Mn-O-Sr +mp-1076601,Sr5Ca3Mn6(FeO10)2,-7.6425470075,-2.4950421379,0.0570085917,0.0570085917,GGA+U,P1,A3B2C6D20E5_aP144_1_12a_8a_24a_80a_20a:Ca-Fe-Mn-O-Sr,144.0,A3B2C6D20E5_aP144_1_12a_8a_24a_80a_20a:Ca-Fe-Mn-O-Sr +mp-1076854,Sr3Ca5Mn3Fe5O24,-7.3774035157,-2.2860744968,0.0571709553,0.0571709553,GGA+U,P1,A5B5C3D24E3_aP40_1_5a_5a_3a_24a_3a:Ca-Fe-Mn-O-Sr,40.0,A5B5C3D24E3_aP40_1_5a_5a_3a_24a_3a:Ca-Fe-Mn-O-Sr +mp-1076190,Sr4Ca4Mn5Fe3O20,-7.6047723393,-2.4677087935,0.0698713074,0.0698713074,GGA+U,P1,A4B3C5D20E4_aP144_1_16a_12a_20a_80a_16a:Ca-Fe-Mn-O-Sr,144.0,A4B3C5D20E4_aP144_1_16a_12a_20a_80a_16a:Ca-Fe-Mn-O-Sr +mp-1076079,Sr5Ca3MnFe7O24,-7.2788688432,-2.2379448498,0.0268506357,0.0268506357,GGA+U,Cm,A3B7CD24E5_mC80_8_ab_3a2b_a_4a10b_3ab:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A3B7CD24E5_mC80_8_a2b_3a4b_a_4a20b_3a2b:Ca-Fe-Mn-O-Sr, expected Sr7Ca5Mn(FeO4)11 to be Sr5Ca3MnFe7O24" +mp-1076450,Sr3Ca5Mn4(FeO5)4,-7.5647121631,-2.4380899411,0.0850195311,0.0850195311,GGA+U,P1,A5B4C4D20E3_aP144_1_20a_16a_16a_80a_12a:Ca-Fe-Mn-O-Sr,144.0,A5B4C4D20E3_aP144_1_20a_16a_16a_80a_12a:Ca-Fe-Mn-O-Sr +mp-1099603,Sr5Ca3Mn6(FeO12)2,-7.5093938345,-2.3819705808,0.0655385352,0.0655385352,GGA+U,Pm,A3B2C6D24E5_mP40_6_2ab_c_3c_4a4b8c_2a3b:Ca-Fe-Mn-O-Sr,40.0,A3B2C6D24E5_mP40_6_2ab_c_3c_4a4b8c_2a3b:Ca-Fe-Mn-O-Sr +mp-1218341,Sr3CaMn2FeO10,-7.3763120241,-2.4742520743,0.0442817987,0.0442817987,GGA+U,I4mm,ABC2D10E3_tI34_107_a_a_2a_4a3b_3a:Ca-Fe-Mn-O-Sr,17.0,ABC2D10E3_tI34_107_a_a_2a_4a3b_3a:Ca-Fe-Mn-O-Sr +mp-1218360,Sr3CaMn2FeO10,-7.3917598665,-2.4896999167,0.0288339563,0.0288339563,GGA+U,I4mm,ABC2D10E3_tI34_107_a_a_2a_4a3b_3a:Ca-Fe-Mn-O-Sr,17.0,ABC2D10E3_tI34_107_a_a_2a_4a3b_3a:Ca-Fe-Mn-O-Sr +mp-1076058,Sr4Ca4Mn5(FeO8)3,-7.4663500863,-2.3483240239,0.0678034163,0.0678034163,GGA+U,P1,A4B3C5D24E4_aP40_1_4a_3a_5a_24a_4a:Ca-Fe-Mn-O-Sr,40.0,A4B3C5D24E4_aP40_1_4a_3a_5a_24a_4a:Ca-Fe-Mn-O-Sr +mp-1099713,Sr7CaMn4(FeO6)4,-7.4169652773,-2.339947049,0.0279264626,0.0279264626,GGA+U,R3m,AB4C4D24E7_hR120_160_a_ab_ab_4b2c_a2b:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB4C4D24E7_hR120_160_a_ab_ab_12b10c_a6b:Ca-Fe-Mn-O-Sr, expected Sr19CaMn4(FeO24)4 to be Sr7CaMn4(FeO6)4" +mp-1099974,Sr6Ca2MnFe7O20,-7.4362160506,-2.3936022043,0.0256545609,0.0256545609,GGA+U,P1,A2B7CD20E6_aP144_1_8a_28a_4a_80a_24a:Ca-Fe-Mn-O-Sr,144.0,A2B7CD20E6_aP144_1_8a_28a_4a_80a_24a:Ca-Fe-Mn-O-Sr +mp-1077667,SrCa7Mn6(FeO12)2,-7.523700191,-2.3646662946,0.0945910725,0.0945910725,GGA+U,Amm2,A7B2C6D24E_oC80_38_a2bde_c_cf_2a2bde4f_a:Ca-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7B2C6D24E_oC80_38_a2b2d2e_c_cf_2a2b2d2e8f_a:Ca-Fe-Mn-O-Sr, expected SrCa11Mn6(FeO22)2 to be SrCa7Mn6(FeO12)2" +mp-1076182,Sr6Ca2Mn5Fe3O20,-7.5844738017,-2.4649717241,0.0538563091,0.0538563091,GGA+U,P1,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ca-Fe-Mn-O-Sr,144.0,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ca-Fe-Mn-O-Sr +mp-1099810,Sr2Ca6Mn7FeO20,-7.7213227759,-2.5282536463,0.0715872301,0.0715872301,GGA+U,P1,A6BC7D20E2_aP144_1_24a_4a_28a_80a_8a:Ca-Fe-Mn-O-Sr,144.0,A6BC7D20E2_aP144_1_24a_4a_28a_80a_8a:Ca-Fe-Mn-O-Sr +mp-1218469,Sr5Mn(Fe2O5)2,-7.3578341908,-2.3100114652,0.0414942115,0.0414942115,GGA+U,Pmmm,A4BC10D5_oP20_47_2i_a_bc2i2j_h2l:Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A4BC10D5_oP20_47_4i_a_bc2i2j_h2l:Fe-Mn-O-Sr, expected Sr5Mn(Fe4O5)2 to be Sr5Mn(Fe2O5)2" +mp-1645234,Sr5Mn(Fe2O5)2,-7.3555500483,-2.3077273227,0.043778354,0.043778354,GGA+U,Cmmm,A4BC10D5_oC80_65_4g_ab_5gi2p_f2q:Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A4BC10D5_oC80_65_4g_ab_7gi2p_f2q:Fe-Mn-O-Sr, expected Sr5Mn(FeO3)4 to be Sr5Mn(Fe2O5)2" +mp-1315609,Sr5Mn(Fe2O5)2,-7.3599583142,-2.3121355887,0.039370088,0.039370088,GGA+U,Fmmm,A4BC10D5_oF160_69_4g_ab_5gh2o_f2l:Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - A4BC10D5_oF160_69_6g_ab_7gh2o_f2l:Fe-Mn-O-Sr, expected Sr5Mn(FeO2)6 to be Sr5Mn(Fe2O5)2" +mp-1076750,Sr3Ca5Mn7FeO20,-7.7096226646,-2.525334269,0.0661767278,0.0661767278,GGA+U,P1,A5BC7D20E3_aP144_1_20a_4a_28a_80a_12a:Ca-Fe-Mn-O-Sr,144.0,A5BC7D20E3_aP144_1_20a_4a_28a_80a_12a:Ca-Fe-Mn-O-Sr +mp-1076444,Sr2Ca2MnFe3O10,-7.4926582559,-2.4132608836,0.0517330752,0.0517330752,GGA+U,P1,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Fe-Mn-O-Sr,144.0,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Fe-Mn-O-Sr +mp-1304800,Sr3MnFeO7,-7.2704783654,-2.493200212,0.0175375442,0.0175375442,GGA+U,Aea2,ABC7D3_oC48_41_a_a_3a2b_3a:Fe-Mn-O-Sr,24.0,ABC7D3_oC48_41_a_a_3a2b_3a:Fe-Mn-O-Sr +mp-1218478,Sr3MnFeO7,-7.27335924,-2.4960810866,0.0146566696,0.0146566696,GGA+U,I4mm,ABC7D3_tI24_107_a_a_3a2b_3a:Fe-Mn-O-Sr,24.0,ABC7D3_tI24_107_a_a_3a2b_3a:Fe-Mn-O-Sr +mp-1228282,Ba4Nd8Cu3PtO20,-7.4982077144,-2.9669964151,0.0169090126,0.0169090126,GGA,P2/m,A4B3C8D20E_mP36_10_acm_dm_4n_bfn4o_g:Ba-Cu-Nd-O-Pt,36.0,"Invalid WP multiplicities - A4B3C8D20E_mP36_10_acm_dm_8n_bfn16o_g:Ba-Cu-Nd-O-Pt, expected Ba4Nd16Cu3PtO68 to be Ba4Nd8Cu3PtO20" +mp-1229276,BaCa2Er10O18,-8.350385336,-3.8133608327,0.0702257955,0.0702257955,GGA,P1,AB2C10D18_aP62_1_2a_4a_20a_36a:Ba-Ca-Er-O,,AB2C10D18_aP62_1_2a_4a_20a_36a:Ba-Ca-Er-O +mp-1044567,BaCa(NiO2)4,-6.285004115,-1.5265304557,0.1292156514,0.1292156514,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Ni-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Ni-O +mp-1522623,BaCa(NiO3)4,-5.6534851344,-0.8531859081000001,0.4349871934,0.4349871934,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Ca-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Ca-Ni-O, expected BaCa(NiO4)4 to be BaCa(NiO3)4" +mp-1228555,Ba2CaEr3(NiO5)2,-7.4615657417,-2.985239816,0.0098063364,0.0098063364,GGA+U,C2,A2BC3D2E10_mC36_5_c_a_a2b_c_ab4c:Ba-Ca-Er-Ni-O,18.0,"Invalid WP multiplicities - A2BC3D2E10_mC36_5_c_a_a2b_c_ab8c:Ba-Ca-Er-Ni-O, expected Ba2CaEr3(NiO9)2 to be Ba2CaEr3(NiO5)2" +mp-1519369,CaEuZrCrO6,-9.106301145,-3.0919529402,0.144855424,0.144855424,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-Eu-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-Eu-O-Zr +mp-1214040,Ca3Nd2Sb3O14,-7.2297379927,-2.8118407117,0.0045587692,0.0045587692,GGA,C2/m,A3B2C14D3_mC44_12_abc_f_3i2j_de:Ca-Nd-O-Sb,22.0,A3B2C14D3_mC44_12_abc_e_3i2j_df:Ca-Nd-O-Sb +mp-1521785,BaCaNdSbO6,-7.2337238025,-2.9835382265,0.0509609948,0.0509609948,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Nd-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Nd-O-Sb, expected BaCaNdSbO12 to be BaCaNdSbO6" +mp-1521688,BaCaNdSbO6,-7.2297559615,-2.9795703855,0.0549288358,0.0549288358,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Ca-Nd-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Ca-Nd-O-Sb, expected BaCa2NdSbO12 to be BaCaNdSbO6" +mp-1521716,BaCaNdSbO6,-7.15132167,-2.901136094,0.1333631273,0.1333631273,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nd-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nd-O-Sb +mp-1520180,Sr2TiSbO6,-7.423248219,-2.9148869759,0.1209962626,0.1209962626,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Ti +mp-1190151,Sr3LiSbO6,-6.4863719218,-2.778504946,0.0,-0.078854387,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Li-O-Sb-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Li-O-Sb-Sr +mp-1228343,Ba5Ca2Nb3O15,-7.938466499,-3.214053689,0.0220268982,0.0220268982,GGA,I4/m,A5B2C3D15_tI100_87_di_h_abh_e5hi:Ba-Ca-Nb-O,50.0,"Invalid WP multiplicities - A5B2C3D15_tI100_87_2d2i_h_ab2h_2e20h4i:Ba-Ca-Nb-O, expected Ba10Ca2Nb5O58 to be Ba5Ca2Nb3O15" +mp-1516716,BaCaCeNbO6,-8.309714018,-3.3458038897,0.1089803892,0.1089803892,GGA,P-1,ABCDE6_aP20_2_i_i_ah_be_6i:Ba-Ca-Ce-Nb-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_i_ah_be_12i:Ba-Ca-Ce-Nb-O, expected BaCaCeNbO12 to be BaCaCeNbO6" +mp-1516489,BaCaCeNbO6,-8.3118984477,-3.3479883195,0.1067959595,0.1067959595,GGA,P222,ABCDE6_oP40_16_abcf_degh_u_u_6u:Ba-Ca-Ce-Nb-O,40.0,ABCDE6_oP40_16_abcf_degh_u_u_6u:Ba-Ca-Ce-Nb-O +mp-1516542,BaCaCeNbO6,-8.219069875,-3.2551597467,0.1996245322,0.1996245322,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Nb-O +mp-1214569,Ba3CaNb2O9,-8.1363021167,-3.3039465713,0.0,-0.037059736,GGA,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Ca-Nb-O,15.0,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Ca-Nb-O +mp-1214679,Ba2CaNbO6,-7.651080661,-3.0885819543,0.045699657,0.045699657,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Nb-O +mp-1079632,Ba2CeNbO6,-8.331966038000001,-3.3767184038,0.008726701,0.008726701,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-Ce-Nb-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-Ce-Nb-O +mp-1522928,Ba2CeNbO6,-8.3250833587,-3.3698357245,0.0156093803,0.0156093803,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Ce-Nb-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Ce-Nb-O +mp-1228422,Ba2CeNbO6,-8.322647785000001,-3.3674001507,0.018044954,0.018044954,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Nb-O +mp-1521580,BaCaNb4O12,-8.883560599399999,-3.1230017375,0.0995148522,0.0995148522,GGA,Cmmm,ABC4D12_oC36_65_a_c_m_efno:Ba-Ca-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_65_a_c_m_2e2fno:Ba-Ca-Nb-O, expected BaCaNb4O16 to be BaCaNb4O12" +mp-1228256,Ba8Ca3Nb5O24,-8.0034040975,-3.2385127617,0.0230175695,0.0230175695,GGA,I4/mmm,A8B3C5D24_tI80_139_m_ad_bce_2egijn:Ba-Ca-Nb-O,40.0,"Invalid WP multiplicities - A8B3C5D24_tI80_139_m_a2d_b2c2e_4e4g4i4j8n:Ba-Ca-Nb-O, expected Ba8Ca5Nb9O120 to be Ba8Ca3Nb5O24" +mp-1247722,Sr2Ca14Mn14Al2O45,-7.6497035521,-2.5871354615,0.075309296,0.075309296,GGA+U,P1,A2B14C14D45E2_aP154_1_4a_28a_28a_90a_4a:Al-Ca-Mn-O-Sr,154.0,A2B14C14D45E2_aP154_1_4a_28a_28a_90a_4a:Al-Ca-Mn-O-Sr +mp-1247609,Ca16Mn14Al2O41,-7.6931512244,-2.6155731286,0.1077078871,0.1077078871,GGA+U,P1,A2B16C14D41_aP146_1_4a_32a_28a_82a:Al-Ca-Mn-O,146.0,A2B16C14D41_aP146_1_4a_32a_28a_82a:Al-Ca-Mn-O +mp-1247717,Ca4Mn3AlO11,-7.632054973,-2.702181444,0.0713376751,0.0713376751,GGA+U,P1,AB4C3D11_aP152_1_8a_32a_24a_88a:Al-Ca-Mn-O,152.0,AB4C3D11_aP152_1_8a_32a_24a_88a:Al-Ca-Mn-O +mp-1247656,Ca4Mn3AlO11,-7.5278445605,-2.5979710316,0.1755480875,0.1755480875,GGA+U,P4/mmm,AB4C3D11_tP19_123_c_k_af_beln:Al-Ca-Mn-O,19.0,"Invalid WP multiplicities - AB4C3D11_tP19_123_c_k_af_be3l3n:Al-Ca-Mn-O, expected Ca4Mn3AlO27 to be Ca4Mn3AlO11" +mp-1247697,Ca16Mn14Al2O47,-7.6486520782,-2.5810149483,0.0576411965,0.0576411965,GGA+U,P1,A2B16C14D47_aP158_1_4a_32a_28a_94a:Al-Ca-Mn-O,158.0,A2B16C14D47_aP158_1_4a_32a_28a_94a:Al-Ca-Mn-O +mp-1255429,Ca6Mn3Al2O15,-7.469837804,-2.8078713623,0.098741922,0.098741922,GGA+U,Cc,A2B6C3D15_mC104_9_2a_6a_3a_15a:Al-Ca-Mn-O,52.0,"Invalid WP multiplicities - A2B6C3D15_mC104_9_3a_11a_5a_29a:Al-Ca-Mn-O, expected Ca11Mn5Al3O29 to be Ca6Mn3Al2O15" +mp-1247668,Ca16Mn14Al2O45,-7.6644272038,-2.5936485566,0.0717505128,0.0717505128,GGA+U,P1,A2B16C14D45_aP154_1_4a_32a_28a_90a:Al-Ca-Mn-O,154.0,A2B16C14D45_aP154_1_4a_32a_28a_90a:Al-Ca-Mn-O +mp-1218404,Sr3CaAl8,-3.3622737492,-0.2757165092,0.0036025017,0.0036025017,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Al-Ca-Sr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Al-Ca-Sr, expected Sr3CaAl20 to be Sr3CaAl8" +mp-1247585,SrCa7Mn6Al2O20,-7.6339584216,-2.7137998035,0.1221532742,0.1221532742,GGA+U,P1,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Al-Ca-Mn-O-Sr,144.0,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Al-Ca-Mn-O-Sr +mp-1247712,SrCa7Mn6Al2O20,-7.6613801414,-2.7412215233,0.0947315544,0.0947315544,GGA+U,P1,A2B7C6D20E_aP36_1_2a_7a_6a_20a_a:Al-Ca-Mn-O-Sr,36.0,A2B7C6D20E_aP36_1_2a_7a_6a_20a_a:Al-Ca-Mn-O-Sr +mp-1247587,Ca16Mn14Al2O43,-7.6833799685,-2.6092922563,0.084276027,0.084276027,GGA+U,P1,A2B16C14D43_aP150_1_4a_32a_28a_86a:Al-Ca-Mn-O,150.0,A2B16C14D43_aP150_1_4a_32a_28a_86a:Al-Ca-Mn-O +mp-1247643,Sr2Ca14Mn14Al2O43,-7.6689860322,-2.6033278247,0.087207365,0.087207365,GGA+U,P1,A2B14C14D43E2_aP150_1_4a_28a_28a_86a_4a:Al-Ca-Mn-O-Sr,150.0,A2B14C14D43E2_aP150_1_4a_28a_28a_86a_4a:Al-Ca-Mn-O-Sr +mp-1247716,Sr2Ca14Mn14Al2O41,-7.679672334,-2.6107546883,0.1094101354,0.1094101354,GGA+U,P1,A2B14C14D41E2_aP146_1_4a_28a_28a_82a_4a:Al-Ca-Mn-O-Sr,146.0,A2B14C14D41E2_aP146_1_4a_28a_28a_82a_4a:Al-Ca-Mn-O-Sr +mp-1247683,Ca8Mn6Al2O21,-7.643773874,-2.7143548094,0.0906363521,0.0906363521,GGA+U,P1,A2B8C6D21_aP148_1_8a_32a_24a_84a:Al-Ca-Mn-O,148.0,A2B8C6D21_aP148_1_8a_32a_24a_84a:Al-Ca-Mn-O +mp-1247686,Ca8Mn6Al2O21,-7.5238233151,-2.5944042506,0.210586911,0.210586911,GGA+U,P4/mmm,A2B8C6D21_tP37_123_h_jk_gi_aefst:Al-Ca-Mn-O,37.0,"Invalid WP multiplicities - A2B8C6D21_tP37_123_h_4j4k_gi_a2e2f3s3t:Al-Ca-Mn-O, expected Ca32Mn6Al2O57 to be Ca8Mn6Al2O21" +mp-1247705,SrCa7Mn6Al2O23,-7.5897139171,-2.6675145226,0.0740616683,0.0740616683,GGA+U,P1,A2B7C6D23E_aP156_1_8a_28a_24a_92a_4a:Al-Ca-Mn-O-Sr,156.0,A2B7C6D23E_aP156_1_8a_28a_24a_92a_4a:Al-Ca-Mn-O-Sr +mp-1247693,SrCa7Mn6Al2O23,-7.5485513287,-2.6263519342,0.1152242567,0.1152242567,GGA+U,Amm2,A2B7C6D23E_oC78_38_c_a2bde_cf_a2bde4f_a:Al-Ca-Mn-O-Sr,39.0,"Invalid WP multiplicities - A2B7C6D23E_oC78_38_c_a2b2d2e_cf_a2b2d2e8f_a:Al-Ca-Mn-O-Sr, expected SrCa11Mn6Al2O43 to be SrCa7Mn6Al2O23" +mp-1247620,Ca8Mn4Al4O21,-7.4227261305,-2.7860875774,0.2124381316,0.2124381316,GGA+U,P4/mmm,A4B8C4D21_tP37_123_gh_jk_i_aefst:Al-Ca-Mn-O,37.0,"Invalid WP multiplicities - A4B8C4D21_tP37_123_gh_4j4k_i_a2e2f3s3t:Al-Ca-Mn-O, expected Ca32Mn4Al4O57 to be Ca8Mn4Al4O21" +mp-1227750,Ca6MnAl11,-3.7597869892,-0.2932898391,0.0159787317,0.0159787317,GGA,P3m1,A11B6C_hP72_156_3a5b12d_6a6b12c_3ab:Al-Ca-Mn,72.0,"Invalid WP multiplicities - A11B6C_hP72_156_3a5b35d_6a6b12c_3ab:Al-Ca-Mn, expected Ca24Mn4Al113 to be Ca6MnAl11" +mp-10878,Ca(MnAl2)4,-5.5467070792,-0.2683787955,0.0194082408,0.0194082408,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ca-Mn,13.0,"Invalid WP multiplicities - A8BC4_tI26_139_3i2j_a_f:Al-Ca-Mn, expected Ca(MnAl5)4 to be Ca(MnAl2)4" +mp-1218345,SrCaAl4,-3.3946353867,-0.2817359444,0.015388865,0.015388865,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-Sr,6.0,A4BC_cF24_216_e_a_c:Al-Ca-Sr +mp-1247679,SrCa7Mn6Al2O21,-7.6314757948,-2.7106001472,0.0921934839,0.0921934839,GGA+U,P1,A2B7C6D21E_aP148_1_8a_28a_24a_84a_4a:Al-Ca-Mn-O-Sr,148.0,A2B7C6D21E_aP148_1_8a_28a_24a_84a_4a:Al-Ca-Mn-O-Sr +mp-1247646,SrCa7Mn6Al2O21,-7.5214044849,-2.6005288372,0.2022647938,0.2022647938,GGA+U,Amm2,A2B7C6D21E_oC74_38_c_a2bde_cf_ade4f_a:Al-Ca-Mn-O-Sr,37.0,"Invalid WP multiplicities - A2B7C6D21E_oC74_38_c_a2b2d2e_cf_a2d2e8f_a:Al-Ca-Mn-O-Sr, expected SrCa11Mn6Al2O41 to be SrCa7Mn6Al2O21" +mp-1227419,Ca(MnAl3)3,-5.1164476054,-0.2547685111,0.0345696646,0.0345696646,GGA,C2/m,A9BC3_mC26_12_a2j_c_bf:Al-Ca-Mn,13.0,A9BC3_mC26_12_b2j_c_ae:Al-Ca-Mn +mp-1247593,Ca4Mn3AlO10,-7.6461078085,-2.7171684564,0.1210431944,0.1210431944,GGA+U,P1,AB4C3D10_aP144_1_8a_32a_24a_80a:Al-Ca-Mn-O,144.0,AB4C3D10_aP144_1_8a_32a_24a_80a:Al-Ca-Mn-O +mp-1247677,Ca4Mn3AlO10,-7.6930421408,-2.7641027887,0.0741088621,0.0741088621,GGA+U,Pm,AB4C3D10_mP36_6_2a_4c_2a4b_5a7b4c:Al-Ca-Mn-O,36.0,"Invalid WP multiplicities - AB4C3D10_mP36_6_2a_8c_2a4b_5a7b8c:Al-Ca-Mn-O, expected Ca8Mn3AlO14 to be Ca4Mn3AlO10" +mp-1227726,Ca4Mn2Al2O11,-7.5441505342,-2.8993527664,0.0626078858,0.0626078858,GGA+U,C2/m,A2B4C2D11_mC76_12_ei_2j_j_3g3hi2j:Al-Ca-Mn-O,38.0,"Invalid WP multiplicities - A2B4C2D11_mC76_12_ei_2j_j_3g6hi2j:Al-Ca-Mn-O, expected Ca2MnAlO7 to be Ca4Mn2Al2O11" +mp-1247637,Ca4Mn2Al2O11,-7.4838228984,-2.8390251306,0.1229355216,0.1229355216,GGA+U,P4/mmm,A2B4C2D11_tP19_123_h_ef_g_abcr:Al-Ca-Mn-O,19.0,"Invalid WP multiplicities - A2B4C2D11_tP19_123_h_2e2f_g_abcr:Al-Ca-Mn-O, expected Ca8Mn2Al2O11 to be Ca4Mn2Al2O11" +mp-1247597,Sr2Ca14Mn14Al2O47,-7.6300338316,-2.5703993961,0.0653772296,0.0653772296,GGA+U,P1,A2B14C14D47E2_aP158_1_4a_28a_28a_94a_4a:Al-Ca-Mn-O-Sr,158.0,A2B14C14D47E2_aP158_1_4a_28a_28a_94a_4a:Al-Ca-Mn-O-Sr +mp-1247671,Ca2MnAlO5,-7.5570797956,-2.9290537469,0.1080684111,0.1080684111,GGA+U,Pm,AB2CD5_mP36_6_2a2b_4c_2a2b_5a7b4c:Al-Ca-Mn-O,36.0,"Invalid WP multiplicities - AB2CD5_mP36_6_2a2b_8c_2a2b_5a7b8c:Al-Ca-Mn-O, expected Ca4MnAlO7 to be Ca2MnAlO5" +mp-18907,Ca2MnAlO5,-7.654884515,-3.0268584663,0.0102636916,0.0102636916,GGA+U,Ima2,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Mn-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Mn-O +mp-1247619,Ca8Mn6Al2O23,-7.6086108437,-2.6783061563,0.0653548713,0.0653548713,GGA+U,P1,A2B8C6D23_aP156_1_8a_32a_24a_92a:Al-Ca-Mn-O,156.0,A2B8C6D23_aP156_1_8a_32a_24a_92a:Al-Ca-Mn-O +mp-1247660,Ca8Mn6Al2O23,-7.5560238423,-2.6257191548,0.1179418727,0.1179418727,GGA+U,P4/mmm,A2B8C6D23_tP39_123_h_jk_gi_abcefst:Al-Ca-Mn-O,39.0,"Invalid WP multiplicities - A2B8C6D23_tP39_123_h_4j4k_gi_abc2e2f3s3t:Al-Ca-Mn-O, expected Ca32Mn6Al2O59 to be Ca8Mn6Al2O23" +mp-1247617,SrCa7Mn6Al2O22,-7.6140157819,-2.6924608431,0.0789185752,0.0789185752,GGA+U,P1,A2B7C6D22E_aP152_1_8a_28a_24a_88a_4a:Al-Ca-Mn-O-Sr,152.0,A2B7C6D22E_aP152_1_8a_28a_24a_88a_4a:Al-Ca-Mn-O-Sr +mp-1247607,SrCa7Mn6Al2O22,-7.5223746313,-2.6008196925,0.1705597258,0.1705597258,GGA+U,Amm2,A2B7C6D22E_oC76_38_c_a2bde_cf_abde4f_a:Al-Ca-Mn-O-Sr,38.0,"Invalid WP multiplicities - A2B7C6D22E_oC76_38_c_a2b2d2e_cf_ab2d2e8f_a:Al-Ca-Mn-O-Sr, expected SrCa11Mn6Al2O42 to be SrCa7Mn6Al2O22" +mp-1807035,Ba2Ca3Tl2(CoO3)4,-6.3637147809,-1.9126899318,0.1735372235,0.1735372235,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Co-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Co-O-Tl, expected Ba2Ca3Tl2(Co3O16)2 to be Ba2Ca3Tl2(CoO3)4" +mp-1044463,BaCa(CoO2)4,-6.8520396371,-1.7140856593,0.1461730914,0.1461730914,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Co-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Co-O +mp-562177,BaCaCo4O7,-6.5803112744,-1.4276445838,0.4640182992,0.4640182992,GGA+U,Pna2_1,ABC4D7_oP52_33_a_a_4a_7a:Ba-Ca-Co-O,52.0,"Invalid WP multiplicities - ABC4D7_oP52_33_a_a_13a_24a:Ba-Ca-Co-O, expected BaCaCo13O24 to be BaCaCo4O7" +mp-1521211,BaCa(CoO3)4,-6.2989846061,-1.2035340208,0.3103067906,0.3103067906,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Ca-Co-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Ca-Co-O, expected BaCa(CoO4)4 to be BaCa(CoO3)4" +mp-1046474,Ba2Ca2Tl2Co3O10,-6.3717629653,-1.9840642057,0.0580347407,0.0580347407,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Co-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Co-O-Tl +mp-6254,Ba2TbNbO6,-8.277995374,-3.4526200452,0.0,-0.0383754998,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Nb-O-Tb,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Nb-O-Tb +mp-1516964,Ba2TbNbO6,-8.270904723,-3.4455293942000003,0.007090651,-0.0312848488,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Tb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Tb +mp-1228310,Ba2TbNbO6,-8.274320138,-3.4489448092,0.003675236,-0.0347002638,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Tb +mp-1522360,BaSrTbNbO6,-8.246225132,-3.4437979519,0.012901363,0.012901363,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sr-Tb,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sr-Tb +mp-1522327,BaSrTbNbO6,-8.221440476,-3.4190132959,0.037686019,0.037686019,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Tb +mp-1518073,SrEuZrCrO6,-9.117948452,-3.1352108899,0.0976328175,0.0976328175,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-Zr +mp-1521945,Sr2SmMnO6,-7.452422813,-2.7584507529,0.1139839395,0.1139839395,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mn-O-Sm-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Mn-O-Sm-Sr +mp-561515,SmMn4(CuO4)3,-7.498853165,-1.8476265726,0.0304464553,0.0304464553,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Sm,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Sm +mp-1218118,SrSm3Mn4O12,-8.459879083,-2.8672002049,0.0036847447,0.0036847447,GGA+U,Pm,A4B12C3D_mP20_6_2c_2a2b4c_a2b_a:Mn-O-Sm-Sr,20.0,"Invalid WP multiplicities - A4B12C3D_mP20_6_3c_2a2b8c_a2b_a:Mn-O-Sm-Sr, expected SrSm3Mn6O20 to be SrSm3Mn4O12" +mp-1522852,SrSmMn4O12,-7.6051112017,-1.9153109077,0.249014165,0.249014165,GGA+U,P4/mmm,A4B12CD_tP18_123_i_efr_a_d:Mn-O-Sm-Sr,18.0,"Invalid WP multiplicities - A4B12CD_tP18_123_i_2e2fr_a_d:Mn-O-Sm-Sr, expected SrSmMn4O16 to be SrSmMn4O12" +mp-1026537,BaMg14Bi,-1.7594654688,0.0007460794,0.1387192971,0.1387192971,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Bi-Mg, expected BaMg18Bi to be BaMg14Bi" +mp-1026527,BaMg14Bi,-1.7063777194,0.0538338287,0.1918070465,0.1918070465,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Bi-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Bi-Mg, expected BaMg26Bi to be BaMg14Bi" +mp-1033925,BaMg14BiO16,-5.9550874331,-2.6016373034,0.3451254577,0.3451254577,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Bi-Mg-O, expected BaMg18BiO20 to be BaMg14BiO16" +mp-1033835,BaMg14BiO16,-5.9827482750000005,-2.6292981453,0.3174646158,0.3174646158,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Bi-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Bi-Mg-O, expected BaMg30BiO32 to be BaMg14BiO16" +mp-2223089,Ba2LuMgBiO6,-6.6158456018,-2.663136343,0.2885783961,0.2885783961,GGA,P-1,A2BCDE6_aP11_2_i_b_d_a_3i:Ba-Bi-Lu-Mg-O,11.0,"Invalid WP multiplicities - A2BCDE6_aP11_2_i_b_d_a_6i:Ba-Bi-Lu-Mg-O, expected Ba2LuMgBiO12 to be Ba2LuMgBiO6" +mp-1147558,Ba4Mg(BiO4)3,-6.332441993,-2.3245464062,0.0,-0.01041168,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Bi-Mg-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_3d4e:Ba-Bi-Mg-O, expected Ba4Mg(BiO14)3 to be Ba4Mg(BiO4)3" +mp-2232039,Ba5MgBi3O11,-6.233071296,-2.3765613978,0.0897873692,0.0897873692,GGA,P1,A5B3CD11_aP20_1_5a_3a_a_11a:Ba-Bi-Mg-O,20.0,A5B3CD11_aP20_1_5a_3a_a_11a:Ba-Bi-Mg-O +mp-2230062,Ba5MgBi3O11,-6.120374077,-2.2638641788,0.2024845882,0.2024845882,GGA,Pm,A5B3CD11_mP20_6_a2c_a2b_b_3a4b2c:Ba-Bi-Mg-O,20.0,"Invalid WP multiplicities - A5B3CD11_mP20_6_a2c_a2b_b_3a4b4c:Ba-Bi-Mg-O, expected Ba5Mg(BiO5)3 to be Ba5MgBi3O11" +mp-2231399,Ba5MgBi3O11,-6.116226893,-2.2597169948,0.2066317722,0.2066317722,GGA,Cm,A5B3CD11_mC40_8_a2b_3a_a_7a2b:Ba-Bi-Mg-O,20.0,"Invalid WP multiplicities - A5B3CD11_mC40_8_a4b_3a_a_7a2b:Ba-Bi-Mg-O, expected Ba9MgBi3O11 to be Ba5MgBi3O11" +mp-2217712,Ba2Mg(BiO3)2,-6.2010011482,-2.3101520157,0.127062785,0.127062785,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Ba-Bi-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Ba-Bi-Mg-O +mp-2217353,Ba2Mg(BiO3)2,-6.1293152355,-2.238466103,0.1987486977,0.1987486977,GGA,Cm,A2B2CD6_mC22_8_2a_2a_a_2a2b:Ba-Bi-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_8_2a_2a_a_2a4b:Ba-Bi-Mg-O, expected Ba2Mg(BiO5)2 to be Ba2Mg(BiO3)2" +mp-2217984,Ba2Mg(BiO3)2,-6.1763855827,-2.2855364502,0.1516783505,0.1516783505,GGA,Cm,A2B2CD6_mC22_8_2a_2a_a_2a2b:Ba-Bi-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_8_2a_2a_a_2a3b:Ba-Bi-Mg-O, expected Ba2Mg(BiO4)2 to be Ba2Mg(BiO3)2" +mp-2217992,Ba2Mg(BiO3)2,-6.0334825536,-2.1426334211,0.2945813795,0.2945813795,GGA,C2/m,A2B2CD6_mC22_12_i_bc_a_ij:Ba-Bi-Mg-O,11.0,A2B2CD6_mC22_12_i_ac_b_ij:Ba-Bi-Mg-O +mp-2217553,Ba2Mg(BiO3)2,-5.90653976,-2.0156906275,0.4215241732,0.4215241732,GGA,I4/mmm,A2B2CD6_tI22_139_e_c_a_dh:Ba-Bi-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_tI22_139_e_c_a_2d3h:Ba-Bi-Mg-O, expected Ba2Mg(BiO8)2 to be Ba2Mg(BiO3)2" +mp-1038632,BaMg30BiO32,-6.1548692778,-2.8414020227,0.1589995076,0.1589995076,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Bi-Mg-O, expected BaMg110BiO72 to be BaMg30BiO32" +mp-1038613,BaMg30BiO32,-6.1411525537,-2.8276852986,0.1727162316,0.1727162316,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Bi-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Bi-Mg-O, expected BaMg90BiO80 to be BaMg30BiO32" +mp-1046893,BaMg(BiO2)4,-6.0388411671,-1.8635039386,0.2026415384,0.2026415384,GGA,P-31m,AB4CD8_hP14_162_a_h_b_ck:Ba-Bi-Mg-O,14.0,AB4CD8_hP14_162_a_h_b_ck:Ba-Bi-Mg-O +mp-1016566,BaMg6Bi,-1.9342521675,-0.0141091212,0.2416177899,0.2416177899,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Bi-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Bi-Mg, expected BaMg12Bi to be BaMg6Bi" +mp-1016607,BaMg6Bi,-1.9411908131,-0.0210477669,0.2346791443,0.2346791443,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Bi-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Bi-Mg, expected BaMg12Bi to be BaMg6Bi" +mp-1033406,BaMg6BiO8,-5.7785002969,-2.3450844181,0.4944008047,0.4944008047,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Bi-Mg-O, expected BaMg6BiO12 to be BaMg6BiO8" +mp-1033430,BaMg6BiO8,-5.6656954906,-2.2322796119,0.6072056109,0.6072056109,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Bi-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Bi-Mg-O, expected BaMg6BiO12 to be BaMg6BiO8" +mp-2227887,BaMgBi2O5,-5.6440815689,-1.6514508126,0.6390484497000001,0.6390484497000001,GGA,P4/mmm,AB2CD5_tP9_123_b_h_a_ci:Ba-Bi-Mg-O,9.0,"Invalid WP multiplicities - AB2CD5_tP9_123_b_h_a_c2i:Ba-Bi-Mg-O, expected BaMgBi2O9 to be BaMgBi2O5" +mp-2242142,BaMgBi2O5,-5.5327013556,-1.5400705993,0.7504286631,0.7504286631,GGA,P4/mmm,AB2CD5_tP9_123_c_g_a_bi:Ba-Bi-Mg-O,9.0,"Invalid WP multiplicities - AB2CD5_tP9_123_c_g_a_b2i:Ba-Bi-Mg-O, expected BaMgBi2O9 to be BaMgBi2O5" +mp-1078394,Ba2LuBiO6,-7.058071263,-2.8701190832,0.0,-0.0983199423,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:Ba-Bi-Lu-O,10.0,A2BCD6_hR30_148_c_a_b_f:Ba-Bi-Lu-O +mp-1205706,Ba2LuBiO6,-7.056411537,-2.8684593572,0.001659726,-0.0966602163,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Lu-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Lu-O +mp-29209,Ba(MgBi)2,-3.184069918,-0.6239672580000001,0.0,-0.1550403285,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Bi-Mg,5.0,AB2C2_hP5_164_a_d_d:Ba-Bi-Mg +mp-1040816,LaCrSbO6,-7.7642091878,-2.3866327342,0.1976754307,0.1976754307,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Sb,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Sb +mp-19861,LaCrSb3,-6.0115911135,-0.6163794545,0.0,-0.003519456,GGA,Pbcm,ABC3_oP20_57_c_d_c2d:Cr-La-Sb,20.0,ABC3_oP20_57_c_d_c2d:Cr-La-Sb +mp-1518020,NaLaCr4O12,-7.6938202244,-1.9032098459,0.2945302746,0.2945302746,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Cr-La-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Cr-La-Na-O, expected NaLaCr4O18 to be NaLaCr4O12" +mp-1219319,Sm2CoNiO6,-7.746714621,-2.5461387197,0.0,-0.032643106,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Co-Ni-O-Sm,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_5e_e:Co-Ni-O-Sm, expected Sm2CoNiO10 to be Sm2CoNiO6" +mp-1100812,Zr4FeBiPb4O15,-8.026229914,-2.6041406417,0.0341273952,0.0341273952,GGA+U,Cc,ABC15D4E4_mC100_9_a_a_15a_4a_4a:Bi-Fe-O-Pb-Zr,50.0,"Invalid WP multiplicities - ABC15D4E4_mC100_9_a_a_27a_7a_6a:Bi-Fe-O-Pb-Zr, expected Zr6FeBiPb7O27 to be Zr4FeBiPb4O15" +mp-1517740,LiSm(FeO3)4,-6.92779042,-1.3795760657,0.3163319598,0.3163319598,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Fe-Li-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Fe-Li-O-Sm, expected LiSm(FeO4)4 to be LiSm(FeO3)4" +mp-1217679,Tb3SmFe34,-8.0647374153,0.003746942,0.0209249241,0.0209249241,GGA,Cm,A34BC3_mC76_8_10a12b_a_3a:Fe-Sm-Tb,38.0,"Invalid WP multiplicities - A34BC3_mC76_8_10a23b_a_3a:Fe-Sm-Tb, expected Tb3SmFe56 to be Tb3SmFe34" +mp-1216808,TiNbCrO6,-9.3590327475,-2.9890353259,0.016379764,0.016379764,GGA+U,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Cr-Nb-O-Ti,36.0,ABC6D_tP18_102_a_a_3c_a:Cr-Nb-O-Ti +mp-1216666,TiNbCr4,-9.523066655,-0.0882354989,0.0,-0.0209419775,GGA,F-43m,A4BC_cF24_216_e_a_c:Cr-Nb-Ti,6.0,A4BC_cF24_216_e_a_c:Cr-Nb-Ti +mp-777531,Ti3Nb2Cr3O16,-9.1844830746,-2.8513477446,0.0965929864,0.0965929864,GGA+U,P1,A3B2C16D3_aP24_1_3a_2a_16a_3a:Cr-Nb-O-Ti,24.0,A3B2C16D3_aP24_1_3a_2a_16a_3a:Cr-Nb-O-Ti +mp-763490,Li4Ti3Nb3Cr2O16,-8.5264267768,-2.8093125998,0.0929800633,0.0929800633,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Nb-O-Ti, expected Li4Ti3Nb3Cr2O20 to be Li4Ti3Nb3Cr2O16" +mp-757702,Li4Ti2Nb3Cr3O16,-8.489109429300001,-2.7092254146,0.0961952315,0.0961952315,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Nb-O-Ti, expected Li4Ti2Nb3Cr3O20 to be Li4Ti2Nb3Cr3O16" +mp-774924,Li4Ti3Nb2Cr3O16,-8.5158082246,-2.8147032465,0.0502490877,0.0502490877,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Nb-O-Ti, expected Li4Ti3Nb2Cr3O20 to be Li4Ti3Nb2Cr3O16" +mp-1518075,NaPrTi4O12,-8.2973047106,-2.9058789522,0.1654079505,0.1654079505,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Na-O-Pr-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Na-O-Pr-Ti, expected NaPrTi4O16 to be NaPrTi4O12" +mp-1104533,NaPrTiO4,-8.155072132899999,-3.3285467171,0.0017594048,0.0017594048,GGA,P4/nmm,AB4CD_tP14_129_c_2cf_c_c:Na-O-Pr-Ti,14.0,AB4CD_tP14_129_c_2cf_c_c:Na-O-Pr-Ti +mp-1522207,NaPrHfTiO6,-8.805995537,-3.4423711007,0.0950409556,0.0950409556,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Ti,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Pr-Ti +mp-1521981,NaPrZrTiO6,-8.572730636,-3.3500550397,0.1307020443,0.1307020443,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Ti-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Ti-Zr +mp-1201802,Ba4NaGe3S10Cl,-5.0822989918,-1.6043756262,0.0058248151,0.0058248151,GGA,P6_3,A4BC3DE10_hP38_173_bc_a_c_a_b3c:Ba-Cl-Ge-Na-S,38.0,A4BC3DE10_hP38_173_bc_a_c_a_b3c:Ba-Cl-Ge-Na-S +mp-1522072,CaEuHfZrO6,-9.650582068,-3.6058197073,0.1286191552,0.1286191552,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Zr +mp-1522139,Ca2HfZrO6,-8.7925266,-3.5729044312,0.1734155113,0.1734155113,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Zr +mp-1517903,NaLaDyMnO6,-7.638022992,-2.6672763122000003,0.2474080818,0.2474080818,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Dy-La-Mn-Na-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Dy-La-Mn-Na-O +mp-1519221,BaSrEuSbO6,-7.6157703575,-2.8483099874,0.0031915557,0.0031915557,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Eu-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Eu-O-Sb-Sr, expected BaSrEuSbO12 to be BaSrEuSbO6" +mp-1519465,BaSrEuSbO6,-7.6152405675,-2.8477801974,0.0037213457,0.0037213457,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Eu-O-Sb-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Eu-O-Sb-Sr +mp-1519387,BaSrEuSbO6,-7.593614102,-2.8261537319,0.0253478113,0.0253478113,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Eu-O-Sb-Sr +mp-1076457,Sr6Ca2Fe5(CoO8)3,-7.029754144,-2.1161604194,0.038600661,0.038600661,GGA+U,P2,A2B3C5D24E6_mP40_3_e_a2c_a2b2d_2a2b2c2d8e_3e:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A2B3C5D24E6_mP40_3_e_a2b_a2c2d_2a2b2c2d12e_6e:Ca-Co-Fe-O-Sr, expected Sr12Ca2Fe5Co3O32 to be Sr6Ca2Fe5(CoO8)3" +mp-1076861,SrCa7FeCo7O24,-6.7797115937,-1.9627749073,0.1066205963,0.1066205963,GGA+U,R3m,A7B7CD24E_hR120_160_a2b_a2b_a_4b2c_a:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A7B7CD24E_hR120_160_a6b_a4b_a_12b10c_a:Ca-Co-Fe-O-Sr, expected SrCa19FeCo13O96 to be SrCa7FeCo7O24" +mp-1203339,Ca2FeCoO5,-7.2120623686,-2.2872865551,0.0434986422,0.0434986422,GGA+U,Pbcm,A2BCD5_oP72_57_2e_ac_2d_2d4e:Ca-Co-Fe-O,72.0,A2BCD5_oP72_57_2e_ac_2d_2d4e:Ca-Co-Fe-O +mp-1076479,Sr3Ca5FeCo7O20,-6.9594295865,-2.1744712599,0.0401697414,0.0401697414,GGA+U,P1,A5B7CD20E3_aP144_1_20a_28a_4a_80a_12a:Ca-Co-Fe-O-Sr,144.0,A5B7CD20E3_aP144_1_20a_28a_4a_80a_12a:Ca-Co-Fe-O-Sr +mp-1099653,Sr2Ca6FeCo7O20,-6.9700566614,-2.1763176006,0.0455101625,0.0455101625,GGA+U,P1,A6B7CD20E2_aP144_1_24a_28a_4a_80a_8a:Ca-Co-Fe-O-Sr,144.0,A6B7CD20E2_aP144_1_24a_28a_4a_80a_8a:Ca-Co-Fe-O-Sr +mp-1076674,Sr4Ca4Fe3Co5O24,-6.9118881705,-2.0505742953,0.0599188717,0.0599188717,GGA+U,P1,A4B5C3D24E4_aP40_1_4a_5a_3a_24a_4a:Ca-Co-Fe-O-Sr,40.0,A4B5C3D24E4_aP40_1_4a_5a_3a_24a_4a:Ca-Co-Fe-O-Sr +mp-1075997,Sr4Ca4FeCo7O24,-6.7727828427,-1.9795541383,0.079713389,0.079713389,GGA+U,Cm,A4B7CD24E4_mC80_8_2ab_3a2b_a_4a10b_2ab:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A4B7CD24E4_mC80_8_2a2b_3a4b_a_4a20b_2a2b:Ca-Co-Fe-O-Sr, expected Sr6Ca6Fe(CoO4)11 to be Sr4Ca4FeCo7O24" +mp-1076198,Sr2Ca6Fe3(CoO4)5,-7.100330245,-2.2309409945,0.0539427089,0.0539427089,GGA+U,P1,A6B5C3D20E2_aP144_1_24a_20a_12a_80a_8a:Ca-Co-Fe-O-Sr,144.0,A6B5C3D20E2_aP144_1_24a_20a_12a_80a_8a:Ca-Co-Fe-O-Sr +mp-1076516,Sr5Ca3Fe7CoO20,-7.3433457609,-2.3489983332,0.0272703717,0.0272703717,GGA+U,P1,A3BC7D20E5_aP144_1_12a_4a_28a_80a_20a:Ca-Co-Fe-O-Sr,144.0,A3BC7D20E5_aP144_1_12a_4a_28a_80a_20a:Ca-Co-Fe-O-Sr +mp-1076758,Sr7CaFe5Co3O20,-7.1674594297,-2.2663236598,0.0320658052,0.0320658052,GGA+U,P1,AB3C5D20E7_aP144_1_4a_12a_20a_80a_28a:Ca-Co-Fe-O-Sr,144.0,AB3C5D20E7_aP144_1_4a_12a_20a_80a_28a:Ca-Co-Fe-O-Sr +mp-1076260,Sr5Ca3Fe2(CoO4)6,-6.8365447518,-2.0171761226,0.0643241176,0.0643241176,GGA+U,Pm,A3B6C2D24E5_mP40_6_2ab_3c_c_4a4b8c_2a3b:Ca-Co-Fe-O-Sr,40.0,A3B6C2D24E5_mP40_6_2ab_3c_c_4a4b8c_2a3b:Ca-Co-Fe-O-Sr +mp-1099745,SrCa7Fe2(Co3O10)2,-7.0527248024,-2.2123799127,0.0481625825,0.0481625825,GGA+U,P1,A7B6C2D20E_aP144_1_28a_24a_8a_80a_4a:Ca-Co-Fe-O-Sr,144.0,A7B6C2D20E_aP144_1_28a_24a_8a_80a_4a:Ca-Co-Fe-O-Sr +mp-1075966,Sr2Ca2Fe3CoO12,-7.0983746962,-2.1349330649,0.0468336945,0.0468336945,GGA+U,Pm,A2BC3D12E2_mP40_6_2a2b_c_3c_4a4b8c_2a2b:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A2BC3D12E2_mP40_6_2a2b_c_6c_4a4b16c_2a2b:Ca-Co-Fe-O-Sr, expected Sr2Ca2Fe6CoO20 to be Sr2Ca2Fe3CoO12" +mp-1076829,SrCa7Fe2(CoO4)6,-6.8456440672,-1.9946647954,0.0978314437,0.0978314437,GGA+U,Amm2,A7B6C2D24E_oC80_38_a2bde_cf_c_2a2bde4f_a:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A7B6C2D24E_oC80_38_a2b2d2e_cf_c_2a2b2d2e8f_a:Ca-Co-Fe-O-Sr, expected SrCa11Fe2(Co3O22)2 to be SrCa7Fe2(CoO4)6" +mp-1076805,Sr6Ca2Fe3Co5O24,-6.9014369432,-2.0559283894,0.0475329843,0.0475329843,GGA+U,P2,A2B5C3D24E6_mP40_3_e_a2c2d_a2b_2a2b2c2d8e_3e:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A2B5C3D24E6_mP40_3_e_a2b2c_a2d_2a2b2c2d12e_6e:Ca-Co-Fe-O-Sr, expected Sr12Ca2Fe3Co5O32 to be Sr6Ca2Fe3Co5O24" +mp-1076062,Sr7CaFe5(CoO8)3,-7.0264471475,-2.1207560835,0.029985238,0.029985238,GGA+U,Cm,AB3C5D24E7_mC80_8_a_ab_3ab_4a10b_3a2b:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB3C5D24E7_mC80_8_a_ab_3ab_4a20b_3a4b:Ca-Co-Fe-O-Sr, expected Sr11CaFe5Co3O44 to be Sr7CaFe5(CoO8)3" +mp-1099946,Sr7CaFe7CoO20,-6.6252931873000005,-1.6485072278,0.7069171006,0.7069171006,GGA+U,P1,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Ca-Co-Fe-O-Sr,144.0,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Ca-Co-Fe-O-Sr +mp-1076399,Sr6Ca2Fe7CoO24,-7.1607374807,-2.1790585854,0.0239913946,0.0239913946,GGA+U,Cmm2,A2BC7D24E6_oC80_35_d_a_a2b2c_2a2b2c4f_d2e:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A2BC7D24E6_oC80_35_d_a_a2b4c_2a2b4c12f_2d4e:Ca-Co-Fe-O-Sr, expected Sr12Ca2Fe11CoO60 to be Sr6Ca2Fe7CoO24" +mp-1076159,Sr7CaFe4(CoO5)4,-7.0957777049,-2.23246703,0.0374050034,0.0374050034,GGA+U,P1,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ca-Co-Fe-O-Sr,144.0,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ca-Co-Fe-O-Sr +mp-1227684,Ca12FeCo7O24,-6.9863980784,-2.4178532283,0.0129761045,0.0129761045,GGA+U,P2,A12B7CD24_mP44_3_abcd4e_abc2e_d_12e:Ca-Co-Fe-O,44.0,"Invalid WP multiplicities - A12B7CD24_mP44_3_abcd7e_abc4e_d_24e:Ca-Co-Fe-O, expected Ca18FeCo11O48 to be Ca12FeCo7O24" +mp-1099827,Sr3Ca5FeCo7O24,-6.7688869098,-1.9677555446,0.0949291232,0.0949291232,GGA+U,Cm,A5B7CD24E3_mC80_8_3ab_3a2b_a_4a10b_ab:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A5B7CD24E3_mC80_8_3a2b_3a4b_a_4a20b_a2b:Ca-Co-Fe-O-Sr, expected Sr5Ca7Fe(CoO4)11 to be Sr3Ca5FeCo7O24" +mp-1076502,Sr4Ca4Fe3(CoO4)5,-7.0737712596,-2.2219434773,0.0479370163,0.0479370163,GGA+U,P1,A4B5C3D20E4_aP144_1_16a_20a_12a_80a_16a:Ca-Co-Fe-O-Sr,144.0,A4B5C3D20E4_aP144_1_16a_20a_12a_80a_16a:Ca-Co-Fe-O-Sr +mp-1076631,Sr7CaFe6(CoO10)2,-7.2447742677,-2.305813403,0.0210934937,0.0210934937,GGA+U,P1,AB2C6D20E7_aP144_1_4a_8a_24a_80a_28a:Ca-Co-Fe-O-Sr,144.0,AB2C6D20E7_aP144_1_4a_8a_24a_80a_28a:Ca-Co-Fe-O-Sr +mp-1100009,Sr4Ca4FeCo7O20,-6.9480472622,-2.1718696696,0.0354946146,0.0354946146,GGA+U,P1,A4B7CD20E4_aP144_1_16a_28a_4a_80a_16a:Ca-Co-Fe-O-Sr,144.0,A4B7CD20E4_aP144_1_16a_28a_4a_80a_16a:Ca-Co-Fe-O-Sr +mp-1099665,Sr2Ca2FeCo3O10,-7.0118984089,-2.1978957214,0.0407266675,0.0407266675,GGA+U,P1,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Co-Fe-O-Sr,144.0,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Co-Fe-O-Sr +mp-1076614,Sr3Ca5Fe5Co3O20,-7.2211324944,-2.2848737883,0.0552044298,0.0552044298,GGA+U,P1,A5B3C5D20E3_aP144_1_20a_12a_20a_80a_12a:Ca-Co-Fe-O-Sr,144.0,A5B3C5D20E3_aP144_1_20a_12a_20a_80a_12a:Ca-Co-Fe-O-Sr +mp-1076428,Sr5Ca3Fe4(CoO5)4,-7.1249203395,-2.2440481964,0.0466682136,0.0466682136,GGA+U,P1,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ca-Co-Fe-O-Sr,144.0,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ca-Co-Fe-O-Sr +mp-1076488,Sr6Ca2Fe3(CoO4)5,-7.046896156,-2.2126298419,0.0391469482,0.0391469482,GGA+U,P1,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Co-Fe-O-Sr,144.0,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Co-Fe-O-Sr +mp-1076747,Sr7CaFe4(CoO6)4,-6.957350693,-2.0857022144,0.0380650983,0.0380650983,GGA+U,R3m,AB4C4D24E7_hR120_160_a_ab_ab_4b2c_a2b:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB4C4D24E7_hR120_160_a_ab_ab_12b10c_a6b:Ca-Co-Fe-O-Sr, expected Sr19CaFe4(CoO24)4 to be Sr7CaFe4(CoO6)4" +mp-1076602,Sr3Ca5Fe4(CoO6)4,-6.9769624233,-2.073703302,0.0630608506,0.0630608506,GGA+U,Cm,A5B4C4D24E3_mC80_8_3ab_2ab_2ab_4a10b_ab:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A5B4C4D24E3_mC80_8_3a2b_2a2b_2a2b_4a20b_a2b:Ca-Co-Fe-O-Sr, expected Sr5Ca7Fe6(Co3O22)2 to be Sr3Ca5Fe4(CoO6)4" +mp-1099890,Sr2Ca6Fe3Co5O24,-6.9134030535,-2.036283857,0.0783463389,0.0783463389,GGA+U,Amm2,A6B5C3D24E2_oC80_38_cf_a2be_ad_2c4d4ef_c:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A6B5C3D24E2_oC80_38_2c3f_a2be_ad_4c8d8e2f_c:Ca-Co-Fe-O-Sr, expected Sr2Ca16Fe3Co5O48 to be Sr2Ca6Fe3Co5O24" +mp-1076107,Sr5Ca3FeCo7O24,-6.780725829,-1.9953997852,0.0604506016,0.0604506016,GGA+U,Cm,A3B7CD24E5_mC80_8_ab_3a2b_a_4a10b_3ab:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A3B7CD24E5_mC80_8_a2b_3a4b_a_4a20b_3a2b:Ca-Co-Fe-O-Sr, expected Sr7Ca5Fe(CoO4)11 to be Sr5Ca3FeCo7O24" +mp-1099708,Sr3Ca5Fe4(CoO5)4,-7.1519345569,-2.2535009456,0.0553191679,0.0553191679,GGA+U,P1,A5B4C4D20E3_aP144_1_20a_16a_16a_80a_12a:Ca-Co-Fe-O-Sr,144.0,A5B4C4D20E3_aP144_1_20a_16a_16a_80a_12a:Ca-Co-Fe-O-Sr +mp-1075955,Sr5Ca3Fe7CoO24,-7.1622860597,-2.1727045037,0.0309641271,0.0309641271,GGA+U,Cm,A3BC7D24E5_mC80_8_ab_a_3a2b_4a10b_3ab:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A3BC7D24E5_mC80_8_a2b_a_3a4b_4a20b_3a2b:Ca-Co-Fe-O-Sr, expected Sr7Ca5Fe11CoO44 to be Sr5Ca3Fe7CoO24" +mp-1233966,CaFe3Co5O16,-6.9363262528,-1.2521553782,0.2007857879,0.2007857879,GGA+U,P1,AB5C3D16_aP25_1_a_5a_3a_16a:Ca-Co-Fe-O,25.0,AB5C3D16_aP25_1_a_5a_3a_16a:Ca-Co-Fe-O +mp-1099605,Sr2Ca2Fe(CoO4)3,-6.8468185915,-2.0195473017,0.0653947681,0.0653947681,GGA+U,Pm,A2B3CD12E2_mP40_6_2a2b_3c_c_4a4b8c_2a2b:Ca-Co-Fe-O-Sr,40.0,A2B3CD12E2_mP40_6_2a2b_3c_c_4a4b8c_2a2b:Ca-Co-Fe-O-Sr +mp-1076372,Sr7CaFe6(CoO12)2,-7.0915861258,-2.1518524764,0.0248697374,0.0248697374,GGA+U,Amm2,AB2C6D24E7_oC80_38_a_c_cf_2a2bde4f_a2bde:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB2C6D24E7_oC80_38_a_c_2c2f_2a2bde16f_a2b2d2e:Ca-Co-Fe-O-Sr, expected Sr11CaFe12(CoO36)2 to be Sr7CaFe6(CoO12)2" +mp-1076147,Sr2Ca2Fe3CoO10,-7.2834937044,-2.3181906375,0.039982824,0.039982824,GGA+U,P1,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ca-Co-Fe-O-Sr,144.0,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ca-Co-Fe-O-Sr +mp-1099816,Sr5Ca3FeCo7O20,-6.9354626632,-2.1680658047,0.0316169643,0.0316169643,GGA+U,P1,A3B7CD20E5_aP144_1_12a_28a_4a_80a_20a:Ca-Co-Fe-O-Sr,144.0,A3B7CD20E5_aP144_1_12a_28a_4a_80a_20a:Ca-Co-Fe-O-Sr +mp-1099798,Sr5Ca3Fe2(Co3O10)2,-6.9979555888,-2.1927336354,0.0382072383,0.0382072383,GGA+U,P1,A3B6C2D20E5_aP144_1_12a_24a_8a_80a_20a:Ca-Co-Fe-O-Sr,144.0,A3B6C2D20E5_aP144_1_12a_24a_8a_80a_20a:Ca-Co-Fe-O-Sr +mp-1076626,Sr2Ca6FeCo7O24,-6.783565923,-1.9745318972,0.0915699111,0.0915699111,GGA+U,Amm2,A6B7CD24E2_oC80_38_cf_a2bde_a_2c4d4ef_c:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - A6B7CD24E2_oC80_38_2c3f_a2bde_a_4c8d8e2f_c:Ca-Co-Fe-O-Sr, expected Sr2Ca16FeCo7O48 to be Sr2Ca6FeCo7O24" +mp-1076769,Sr6Ca2Fe5Co3O20,-7.1830259578,-2.2731094539,0.0357021994,0.0357021994,GGA+U,P1,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ca-Co-Fe-O-Sr,144.0,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ca-Co-Fe-O-Sr +mp-1099847,SrCa7FeCo7O20,-6.9887583262,-2.1862385314,0.0427759937,0.0427759937,GGA+U,P1,A7B7CD20E_aP144_1_28a_28a_4a_80a_4a:Ca-Co-Fe-O-Sr,144.0,A7B7CD20E_aP144_1_28a_28a_4a_80a_4a:Ca-Co-Fe-O-Sr +mp-1076858,Sr7CaFe7CoO24,-7.158297108,-2.1845208733,0.0176783706,0.0176783706,GGA+U,R3m,ABC7D24E7_hR120_160_a_a_a2b_4b2c_a2b:Ca-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - ABC7D24E7_hR120_160_a_a_a4b_12b9c_a6b:Ca-Co-Fe-O-Sr, expected Sr19CaFe13CoO90 to be Sr7CaFe7CoO24" +mp-1227494,Ca6Fe(CoO4)3,-7.0582417489,-2.4587490939,0.0,-0.0037172609,GGA+U,R32,A6B3CD12_hR66_155_de_ac_b_2f:Ca-Co-Fe-O,44.0,"Invalid WP multiplicities - A6B3CD12_hR66_155_de_ac_b_3f:Ca-Co-Fe-O, expected Ca6Fe(CoO6)3 to be Ca6Fe(CoO4)3" +mp-1076802,Sr3Ca5Fe5(CoO8)3,-7.037350127,-2.1000484204,0.0598164678,0.0598164678,GGA+U,P1,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:Ca-Co-Fe-O-Sr,40.0,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:Ca-Co-Fe-O-Sr +mp-1076884,Sr6Ca2Fe7CoO20,-7.3276039554,-2.3420372618,0.0238092548,0.0238092548,GGA+U,P1,A2BC7D20E6_aP144_1_8a_4a_28a_80a_24a:Ca-Co-Fe-O-Sr,144.0,A2BC7D20E6_aP144_1_8a_4a_28a_80a_24a:Ca-Co-Fe-O-Sr +mp-1338518,CaFe2CoO7,-7.061584972,-1.5451503290000002,0.1697044672,0.1697044672,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Ca-Co-Fe-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_3e_2e_7e_17e:Ca-Co-Fe-O, expected Ca3Fe7Co2O17 to be CaFe2CoO7" +mp-1521804,BaCaHfNbO6,-8.747754759,-3.3814346433,0.1210748107,0.1210748107,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Hf-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Hf-Nb-O +mp-1518468,BaCaHf4O12,-8.9723886533,-3.2438555714,0.2100251371,0.2100251371,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ba-Ca-Hf-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ba-Ca-Hf-O, expected BaCaHf4O18 to be BaCaHf4O12" +mp-1523252,Ca2HfNbO6,-8.707916982,-3.3329343723,0.1862676064,0.1862676064,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ca-Hf-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ca-Hf-Nb-O +mp-1228104,Ca9Nb2Ga10(SiO7)6,-7.4047412557,-2.9287006284,0.0295974772,0.0295974772,GGA,R3,A9B10C2D42E6_hR207_146_3b_a3b_2a_14b_2b:Ca-Ga-Nb-O-Si,69.0,"Invalid WP multiplicities - A9B10C2D42E6_hR207_146_8b_a8b_2a_34b_2b:Ca-Ga-Nb-O-Si, expected Ca24Nb2Ga25(SiO17)6 to be Ca9Nb2Ga10(SiO7)6" +mp-1227558,Ca4GaSi3,-3.9170940588,-0.5012878547,0.0007712163,0.0007712163,GGA,Pmm2,A4BC3_oP8_25_abcd_a_bcd:Ca-Ga-Si,8.0,A4BC3_oP8_25_abcd_a_bcd:Ca-Ga-Si +mp-1214038,Ca3NbGa3(SiO7)2,-7.6068983022,-3.0283473993,0.0054003403,0.0054003403,GGA,P321,A3B3CD14E2_hP23_150_e_f_a_d2g_d:Ca-Ga-Nb-O-Si,23.0,A3B3CD14E2_hP23_150_e_f_a_d2g_d:Ca-Ga-Nb-O-Si +mp-1227300,Ca2GaSi,-3.6173059925,-0.5011525394,0.0,-0.0083121033,GGA,Amm2,A2BC_oC8_38_ab_a_b:Ca-Ga-Si,4.0,A2BC_oC8_38_ab_a_b:Ca-Ga-Si +mp-14050,Ca3Ga2(SiO4)3,-7.5277129106,-3.1422523951,0.0117856024,0.0117856024,GGA,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ga-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ga-O-Si +mp-1227042,CaGaSi,-3.9067286233,-0.4203906458,0.0067739642,0.0067739642,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-Ga-Si,3.0,ABC_hP3_187_b_c_e:Ca-Ga-Si +mp-1214106,Ca2GaSi2O7,-7.3972409892,-3.0208449207,0.1683972924,0.1683972924,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ca-Ga-O-Si,24.0,A2BC7D2_tP24_113_e_a_cef_e:Ca-Ga-O-Si +mp-1227526,Ca2Ga2SiO7,-7.1523370479,-2.9757094801,0.0104445092,0.0104445092,GGA,P2_1,A2B2C7D_mP24_4_2a_2a_7a_a:Ca-Ga-O-Si,24.0,A2B2C7D_mP24_4_2a_2a_7a_a:Ca-Ga-O-Si +mp-1228717,Ca13Nb3(Si2O9)4,-8.0236195705,-3.3926187138,0.0168286372,0.0168286372,GGA,P1,A13B3C36D8_aP60_1_13a_3a_36a_8a:Ca-Nb-O-Si,60.0,A13B3C36D8_aP60_1_13a_3a_36a_8a:Ca-Nb-O-Si +mp-1218910,Sr2CeMn3O9,-8.1238705237,-2.7026491677,0.029123934,0.029123934,GGA+U,C2/m,AB3C9D2_mC60_12_i_ac2i_3i3j_2i:Ce-Mn-O-Sr,30.0,"Invalid WP multiplicities - AB3C9D2_mC60_12_i_ad2i_6i12j_4i:Ce-Mn-O-Sr, expected Sr4CeMn3O30 to be Sr2CeMn3O9" +mp-1226606,CeMn5Co7,-7.7684452462,0.0393539985,0.1174476546,0.1174476546,GGA,Imm2,AB7C5_oI26_44_a_2ab2c_be:Ce-Co-Mn,13.0,AB7C5_oI26_44_a_2ab2c_be:Ce-Co-Mn +mp-1218667,Sr4CeMn4CoO15,-7.743770407199999,-2.5178595032,0.0569669375,0.0569669375,GGA+U,Cm,ABC4D15E4_mC50_8_a_a_4a_5a5b_4a:Ce-Co-Mn-O-Sr,25.0,"Invalid WP multiplicities - ABC4D15E4_mC50_8_a_a_4a_5a10b_4a:Ce-Co-Mn-O-Sr, expected Sr4CeMn4CoO25 to be Sr4CeMn4CoO15" +mp-1197208,Sr9Mn5Co2O21,-7.3737124282,-2.5328309129,0.0,-0.0029190337,GGA+U,R-3c,A2B5C21D9_hR222_167_c_b2c_e3f_ef:Co-Mn-O-Sr,74.0,A2B5C21D9_hR222_167_c_b2c_e3f_ef:Co-Mn-O-Sr +mp-1104214,Ce(MnCo2)4,-7.6378789577,0.0119435564,0.0872507618,0.0872507618,GGA,I4/mmm,AB8C4_tI26_139_a_ij_f:Ce-Co-Mn,13.0,AB8C4_tI26_139_a_ij_f:Ce-Co-Mn +mp-1226889,Ce(MnCo2)4,-7.6297240531,0.020098461,0.0954056664,0.0954056664,GGA,I4/mmm,AB8C4_tI26_139_a_fi_j:Ce-Co-Mn,13.0,AB8C4_tI26_139_a_fi_j:Ce-Co-Mn +mp-1218672,Sr4CeMn5O15,-7.9160560244,-2.6079972205,0.0313205128,0.0313205128,GGA+U,C2/m,AB5C15D4_mC50_12_a_c2i_bf2i2j_2i:Ce-Mn-O-Sr,25.0,"Invalid WP multiplicities - AB5C15D4_mC50_12_b_c3i_a2e3i7j_3i:Ce-Mn-O-Sr, expected Sr6CeMn7O39 to be Sr4CeMn5O15" +mp-1218514,Sr3CeMn4O12,-7.9878489645,-2.6373542036,0.0366342929,0.0366342929,GGA+U,Im-3m,AB4C12D3_cI40_229_a_c_h_b:Ce-Mn-O-Sr,20.0,AB4C12D3_cI40_229_a_c_h_b:Ce-Mn-O-Sr +mp-562909,Sr4Mn2CoO9,-7.3057886094,-2.5113810723,0.0174992907,0.0174992907,GGA+U,P321,AB2C9D4_hP48_150_ad_c2d_f4g_efg:Co-Mn-O-Sr,48.0,"Invalid WP multiplicities - AB2C9D4_hP48_150_a2d_2c3d_2f19g_2e2f5g:Co-Mn-O-Sr, expected Sr42Mn10(CoO24)5 to be Sr4Mn2CoO9" +mp-1228094,BaFe4Sn2O11,-7.4614263764,-2.0041053034,0.0150444819,0.0150444819,GGA+U,Cmcm,AB4C11D2_oC72_63_c_acd_c2fgh_f:Ba-Fe-O-Sn,36.0,"Invalid WP multiplicities - AB4C11D2_hP36_194_c_dg_fh2k_e:Ba-Fe-O-Sn, expected BaFe4Sn2O17 to be BaFe4Sn2O11" +mp-1229071,BaFe4Sn2O11,-7.4213280117,-1.9640069387,0.0551428467,0.0551428467,GGA+U,Cmcm,AB4C11D2_oC72_63_c_acf_c2fgh_d:Ba-Fe-O-Sn,36.0,AB4C11D2_oC72_63_c_acf_c2fgh_d:Ba-Fe-O-Sn +mp-1214965,Ba3Fe8Sn3O20,-7.3934587209,-1.9675885947,0.1031680868,0.1031680868,GGA+U,C2/m,A3B8C20D3_mC68_12_ai_2j_2i4j_bh:Ba-Fe-O-Sn,34.0,A3B8C20D3_mC68_12_ai_2j_2i4j_bh:Ba-Fe-O-Sn +mp-1228526,Ba3Fe10SnO20,-7.6376416432,-1.9493921432,0.0467158174,0.0467158174,GGA+U,C2/m,A3B10C20D_mC68_12_ai_h2j_2i4j_b:Ba-Fe-O-Sn,34.0,A3B10C20D_mC68_12_ai_h2j_2i4j_b:Ba-Fe-O-Sn +mp-1220032,Pr2FeSn4,-5.3642997857,-0.4971397657,0.0513330043,0.0513330043,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Fe-Pr-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Fe-Pr-Sn +mp-1197173,Pr6Fe13Sn,-7.21513261,-0.0748685042,0.0158811653,0.0158811653,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Sn,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Sn +mp-1520852,BaPrFeSnO6,-7.453521406,-2.5675608033,0.106934074,0.106934074,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Fe-O-Pr-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Fe-O-Pr-Sn +mp-1521717,SrCaFeSnO6,-6.917597096,-2.3321152294,0.120275197,0.120275197,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Fe-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Fe-O-Sn-Sr +mp-757114,Ca3Fe5Sn3O16,-7.3337919922,-2.1655460428,0.0665827657,0.0665827657,GGA+U,Pm,A3B5C16D3_mP27_6_a2b_a4b_8a8b_3a:Ca-Fe-O-Sn,27.0,A3B5C16D3_mP27_6_a2b_a4b_8a8b_3a:Ca-Fe-O-Sn +mp-1295905,Sr2FeSnO6,-6.939332784,-2.3854615601,0.0460595108,0.0460595108,GGA+U,Pmmm,AB6CD2_oP20_47_ab_cdghikmo_ef_z:Fe-O-Sn-Sr,20.0,"Invalid WP multiplicities - AB6CD2_oP20_47_ab_cdghik2m2o_ef_z:Fe-O-Sn-Sr, expected Sr2FeSnO8 to be Sr2FeSnO6" +mp-1297347,Sr2FeSnO6,-6.9284686172,-2.3745973933,0.0569236775,0.0569236775,GGA+U,Cmcm,AB6CD2_oC80_63_2c_4c2f2g_2c_de:Fe-O-Sn-Sr,40.0,"Invalid WP multiplicities - AB6CD2_oC80_63_2c_8c4f2g_2c_4d4e:Fe-O-Sn-Sr, expected Sr8FeSnO10 to be Sr2FeSnO6" +mp-1272721,Sr2FeSnO6,-6.929724989,-2.3758537651,0.0556673057,0.0556673057,GGA+U,Cmmm,AB6CD2_oC80_65_2j_eg4nq_abi_fhp:Fe-O-Sn-Sr,40.0,"Invalid WP multiplicities - AB6CD2_oC80_65_2j_2e2g14nq_ab2i_2f2hp:Fe-O-Sn-Sr, expected Sr6Fe2Sn3O34 to be Sr2FeSnO6" +mp-1274243,Sr2FeSnO6,-6.933793984,-2.3799227601,0.0515983108,0.0515983108,GGA+U,Cmmm,AB6CD2_oC40_65_ab_cde2ghi_g_q:Fe-O-Sn-Sr,20.0,"Invalid WP multiplicities - AB6CD2_oC40_65_ab_cde4ghi_g_q:Fe-O-Sn-Sr, expected Sr2FeSnO8 to be Sr2FeSnO6" +mp-1274766,Sr2FeSnO6,-6.928722019,-2.3748507951,0.0566702757,0.0566702757,GGA+U,Fmmm,AB6CD2_oF160_69_2i_ef4mn_ch_dgj:Fe-O-Sn-Sr,40.0,"Invalid WP multiplicities - AB6CD2_oF160_69_2i_2e2f14mn_2c2h_2d2gj:Fe-O-Sn-Sr, expected Sr3FeSn2O17 to be Sr2FeSnO6" +mp-1292799,Sr2FeSnO6,-6.9394525837,-2.3855813598,0.045939711,0.045939711,GGA+U,Fmmm,AB6CD2_oF160_69_2h_abchik2mo_m_jn:Fe-O-Sn-Sr,40.0,"Invalid WP multiplicities - AB6CD2_oF160_69_2h_ab2c2h2ik5mo_m_4j4n:Fe-O-Sn-Sr, expected Sr16Fe2Sn2O21 to be Sr2FeSnO6" +mp-1218818,Sr2FeSnO6,-6.939353657,-2.3854824331,0.0460386377,0.0460386377,GGA+U,P4/mmm,AB6CD2_tP10_123_a_efg_b_h:Fe-O-Sn-Sr,10.0,"Invalid WP multiplicities - AB6CD2_tP10_123_a_2e2fg_b_h:Fe-O-Sn-Sr, expected Sr2FeSnO10 to be Sr2FeSnO6" +mp-1218821,Sr2FeSnO6,-6.930371507,-2.3765002831,0.0550207877,0.0550207877,GGA+U,P4/mmm,AB6CD2_tP10_123_a_bdj_c_e:Fe-O-Sn-Sr,10.0,AB6CD2_tP10_123_a_bdj_c_e:Fe-O-Sn-Sr +mp-1218817,Sr2FeSnO6,-6.9312827850000005,-2.3774115611,0.0541095098,0.0541095098,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sn-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sn-Sr +mp-1228383,Ca3Fe6(SnO8)2,-7.4537519941,-2.1203042167,0.0733063693,0.0733063693,GGA+U,Pm,A3B6C16D2_mP27_6_2ab_2a4b_8a8b_2a:Ca-Fe-O-Sn,27.0,A3B6C16D2_mP27_6_2ab_2a4b_8a8b_2a:Ca-Fe-O-Sn +mp-756422,Li4CuSi2O7,-6.6549228271,-2.5683260289,0.0380478979,0.0380478979,GGA,C2,AB4C7D2_mC28_5_a_2c_b3c_c:Cu-Li-O-Si,14.0,"Invalid WP multiplicities - AB4C7D2_mC28_5_a_3c_b5c_c:Cu-Li-O-Si, expected Li6CuSi2O11 to be Li4CuSi2O7" +mp-765980,Li4CuSi2O7,-6.6436590611,-2.5570622628,0.0493116639,0.0493116639,GGA,Cc,AB4C7D2_mC56_9_a_4a_7a_2a:Cu-Li-O-Si,28.0,AB4C7D2_mC56_9_a_4a_7a_2a:Cu-Li-O-Si +mp-766023,Li2Cu2Si4O11,-7.2255582008,-2.5870788841,0.0724731847,0.0724731847,GGA,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Cu-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Cu-Li-O-Si, expected Li3Cu3(SiO3)7 to be Li2Cu2Si4O11" +mp-757404,Li2Cu2Si5O13,-7.3653526,-2.6630888514,0.0794377657,0.0794377657,GGA,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Cu-Li-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_3i_3i_25i_9i:Cu-Li-O-Si, expected Li3Cu3Si9O25 to be Li2Cu2Si5O13" +mp-1212343,Li22(Cu3Si2)7,-3.8455243243,-0.2659787882,0.0,-0.0555485648,GGA,P3_1,A21B22C14_hP171_144_21a_22a_14a:Cu-Li-Si,171.0,A21B22C14_hP171_144_21a_22a_14a:Cu-Li-Si +mp-1201607,Li7CuSi2,-3.051074781,-0.2198445013,0.0,-0.0026466468,GGA,Pnma,AB7C2_oP40_62_c_7c_2c:Cu-Li-Si,40.0,AB7C2_oP40_62_c_7c_2c:Cu-Li-Si +mp-766013,Li2Cu4Si4O13,-6.8616323096,-2.2432454496,0.1178507967,0.1178507967,GGA,P-1,A4B2C13D4_aP46_2_4i_2i_13i_4i:Cu-Li-O-Si,46.0,"Invalid WP multiplicities - A4B2C13D4_aP46_2_7i_3i_25i_7i:Cu-Li-O-Si, expected Li3Cu7Si7O25 to be Li2Cu4Si4O13" +mp-1266446,Li10Cu(SiO5)2,-6.0360897517,-2.4053959035,0.0530780524,0.0530780524,GGA,P-1,AB10C10D2_aP46_2_i_10i_10i_2i:Cu-Li-O-Si,46.0,"Invalid WP multiplicities - AB10C10D2_aP46_2_i_19i_18i_3i:Cu-Li-O-Si, expected Li19Cu(SiO6)3 to be Li10Cu(SiO5)2" +mp-756983,Li10Cu(SiO5)2,-6.0318181554,-2.4011243072,0.0573496487,0.0573496487,GGA,C2/m,AB10C10D2_mC92_12_i_4i3j_g5i2j_2i:Cu-Li-O-Si,46.0,"Invalid WP multiplicities - AB10C10D2_mC92_12_i_7i6j_g9i4j_3i:Cu-Li-O-Si, expected Li19Cu(SiO6)3 to be Li10Cu(SiO5)2" +mp-757514,Li4Cu2Si3O10,-6.7600787613,-2.4665552871,0.0715754061,0.0715754061,GGA,C2/c,A2B4C10D3_mC76_15_f_2f_5f_ef:Cu-Li-O-Si,38.0,"Invalid WP multiplicities - A2B4C10D3_mC76_15_f_7f_15f_2e3f:Cu-Li-O-Si, expected Li7CuSi4O15 to be Li4Cu2Si3O10" +mp-860886,Li7Cu(SiO4)2,-6.2183446864,-2.4469106594,0.0940083371,0.0940083371,GGA,C2/m,AB7C8D2_mC72_12_i_ab2i2j_4i2j_2i:Cu-Li-O-Si,36.0,"Invalid WP multiplicities - AB7C8D2_mC72_12_i_ab4i3j_8i3j_3i:Cu-Li-O-Si, expected Li11CuSi3O14 to be Li7Cu(SiO4)2" +mp-554014,Li2Cu5(Si2O7)2,-6.7878591528,-2.1771074264,0.0705756074,0.0705756074,GGA,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Cu-Li-O-Si,25.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_a2i_i_13i_3i:Cu-Li-O-Si, expected Li2Cu5(Si3O13)2 to be Li2Cu5(Si2O7)2" +mp-757685,Li2Cu(SiO3)2,-6.96786418,-2.5635168408,0.0761590314,0.0761590314,GGA,Fdd2,AB2C6D2_oF88_43_a_b_3b_b:Cu-Li-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_oF88_43_a_b_9b_b:Cu-Li-O-Si, expected Li2Cu(SiO9)2 to be Li2Cu(SiO3)2" +mp-7473,LiCu2Si,-4.085286135,-0.2021225758,0.0,-0.0101569567,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Li-Si,4.0,A2BC_cF16_225_c_a_b:Cu-Li-Si +mp-757101,Li2Cu(Si2O5)2,-7.4324073315,-2.7803360588,0.0811125959,0.0811125959,GGA,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Cu-Li-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_3i_19i_7i:Cu-Li-O-Si, expected Li3CuSi7O19 to be Li2Cu(Si2O5)2" +mp-849775,Li2Cu(Si2O5)2,-7.4097551335,-2.7576838608000003,0.1037647938,0.1037647938,GGA,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Cu-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e15f_7f:Cu-Li-O-Si, expected Li7Cu2(Si7O19)2 to be Li2Cu(Si2O5)2" +mp-1262892,Li2Cu(Si2O5)2,-7.4391543719,-2.7870830992,0.0743655554,0.0743655554,GGA,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Cu-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e15f_7f:Cu-Li-O-Si, expected Li7Cu2(Si7O19)2 to be Li2Cu(Si2O5)2" +mp-1178070,Li2Cu(Si2O5)2,-7.4280117982,-2.7759405255000003,0.0855081291,0.0855081291,GGA,P2_12_12_1,AB2C10D4_oP68_19_a_2a_10a_4a:Cu-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_oP68_19_a_5a_37a_13a:Cu-Li-O-Si, expected Li5CuSi13O37 to be Li2Cu(Si2O5)2" +mp-759054,Li2Cu2Si2O7,-6.6676239194,-2.2450303723,0.133684764,0.133684764,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Cu-Li-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Cu-Li-O-Si, expected LiCuSiO5 to be Li2Cu2Si2O7" +mp-758844,Li3CuSiO4,-6.2009040878,-2.3077876272,0.0986018892,0.0986018892,GGA,I4_1/a,AB3C4D_tI144_88_f_3f_4f_f:Cu-Li-O-Si,72.0,"Invalid WP multiplicities - AB3C4D_tI144_88_f_14f_18f_f:Cu-Li-O-Si, expected Li14CuSiO18 to be Li3CuSiO4" +mp-1235332,LiHo2Cu(SiO3)4,-7.981543145,-3.1698189484,0.0707694144,0.0707694144,GGA,P1,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Li-O-Si,20.0,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Li-O-Si +mp-1235972,LiHo2Cu(SiO3)4,-7.936962802,-3.1252386054,0.1153497574,0.1153497574,GGA,P1,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Li-O-Si,20.0,AB2CD12E4_aP20_1_a_2a_a_12a_4a:Cu-Ho-Li-O-Si +mp-1235309,LiHo2Cu(SiO3)4,-7.978655903,-3.1669317064,0.0736566564,0.0736566564,GGA,P-1,AB2CD12E4_aP20_2_a_i_d_6i_2i:Cu-Ho-Li-O-Si,20.0,AB2CD12E4_aP20_2_a_i_d_6i_2i:Cu-Ho-Li-O-Si +mp-756392,LiCuSi2O5,-7.2297794744,-2.6084229019,0.0967189625,0.0967189625,GGA,P2_1,ABC5D2_mP18_4_a_a_5a_2a:Cu-Li-O-Si,18.0,"Invalid WP multiplicities - ABC5D2_mP18_4_a_a_9a_3a:Cu-Li-O-Si, expected LiCu(SiO3)3 to be LiCuSi2O5" +mp-757077,Li2Cu2Si8O19,-7.6108698265,-2.7913250256,0.1037676963,0.1037676963,GGA,P1,A2B2C19D8_aP31_1_2a_2a_19a_8a:Cu-Li-O-Si,31.0,"Invalid WP multiplicities - A2B2C19D8_mC62_5_c_c_a17c_7c:Cu-Li-O-Si, expected Li2Cu2(Si2O5)7 to be Li2Cu2Si8O19" +mp-1178014,Li2Cu2Si8O19,-7.6116362361,-2.7920914353,0.1030012866,0.1030012866,GGA,C2,A2B2C19D8_mC62_5_c_c_a9c_4c:Cu-Li-O-Si,31.0,"Invalid WP multiplicities - A2B2C19D8_mC62_5_c_c_a17c_7c:Cu-Li-O-Si, expected Li2Cu2(Si2O5)7 to be Li2Cu2Si8O19" +mp-1176748,LiCu3(SiO3)2,-6.6800070183,-2.118564418,0.0715243644,0.0715243644,GGA,C2/m,A3BC6D2_mC24_12_ag_d_ij_h:Cu-Li-O-Si,12.0,"Invalid WP multiplicities - A3BC6D2_mC24_12_a2g_c_i2j_h:Cu-Li-O-Si, expected LiCu5(SiO5)2 to be LiCu3(SiO3)2" +mp-757870,Li2Cu2(Si2O5)3,-7.4382618173,-2.6875219004,0.1180653733,0.1180653733,GGA,Cmce,A2B2C15D6_oC200_64_de_ef_3f6g_3g:Cu-Li-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_3d2e_2ef_11f16g_7g:Cu-Li-O-Si, expected Li3Cu5Si14O43 to be Li2Cu2(Si2O5)3" +mp-760485,Li2CuSiO4,-6.4202891425,-2.2791484827,0.1193575894,0.1193575894,GGA,P2_1,AB2C4D_mP16_4_a_2a_4a_a:Cu-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_mP16_4_a_3a_7a_a:Cu-Li-O-Si, expected Li3CuSiO7 to be Li2CuSiO4" +mp-758498,Li2CuSiO4,-6.4675031556,-2.3263624958,0.0721435763,0.0721435763,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Cu-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_4a_8a_a:Cu-Li-O-Si, expected Li4CuSiO8 to be Li2CuSiO4" +mp-765955,Li2CuSiO4,-6.4325770506,-2.2914363908,0.1070696813,0.1070696813,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_13e_e:Cu-Li-O-Si, expected Li3CuSiO13 to be Li2CuSiO4" +mp-758325,Li2CuSiO4,-6.4626702897,-2.3215296299,0.0769764422,0.0769764422,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:Cu-Li-O-Si, expected Li3CuSiO11 to be Li2CuSiO4" +mp-758793,Li2CuSiO4,-6.4757030194,-2.3345623596,0.0639437125,0.0639437125,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_5e_13e_e:Cu-Li-O-Si, expected Li5CuSiO13 to be Li2CuSiO4" +mp-752888,Li2CuSiO4,-6.4557999706,-2.3146593108,0.0838467613,0.0838467613,GGA,C222_1,AB2C4D_oC32_20_a_ab_2c_b:Cu-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_oC32_20_a_a2b_3c_b:Cu-Li-O-Si, expected Li3CuSiO6 to be Li2CuSiO4" +mp-752858,Li2CuSiO4,-6.4766418731,-2.3355012133,0.0630048588,0.0630048588,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cu-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_oP16_31_a_b_4a2b_a:Cu-Li-O-Si, expected Li2CuSiO8 to be Li2CuSiO4" +mp-758435,Li2CuSiO4,-6.4702528397,-2.3291121799,0.0693938922,0.0693938922,GGA,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Cu-Li-O-Si, expected Li5CuSiO13 to be Li2CuSiO4" +mp-758708,Li2CuSiO4,-6.4717312988,-2.330590639,0.0679154331,0.0679154331,GGA,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Cu-Li-O-Si, expected Li5CuSiO13 to be Li2CuSiO4" +mp-758743,Li2CuSiO4,-6.4639625812,-2.3228219215,0.0756841506,0.0756841506,GGA,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Cu-Li-O-Si, expected Li5CuSiO13 to be Li2CuSiO4" +mp-758311,Li2CuSiO4,-6.4854157244,-2.3442750646,0.0542310075,0.0542310075,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_7c3d_c:Cu-Li-O-Si, expected Li2CuSiO13 to be Li2CuSiO4" +mp-758758,Li2CuSiO4,-6.4748170931,-2.3336764333,0.0648296388,0.0648296388,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cu-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_5c3d_c:Cu-Li-O-Si, expected Li2CuSiO11 to be Li2CuSiO4" +mp-752606,Li2CuSiO4,-6.4811875187,-2.340046859,0.0584592131,0.0584592131,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Cu-Li-O-Si,8.0,AB2C4D_tI16_121_a_d_i_b:Cu-Li-O-Si +mp-758715,Li2CuSiO4,-6.4727191304,-2.3315784706,0.0669276015,0.0669276015,GGA,P3_121,AB2C4D_hP24_152_a_c_2c_b:Cu-Li-O-Si,24.0,"Invalid WP multiplicities - AB2C4D_hP24_152_a_c_6c_b:Cu-Li-O-Si, expected Li2CuSiO12 to be Li2CuSiO4" +mp-774294,Li4Mn2Nb3Co3O16,-7.8188679993,-2.2211676444,0.1353149653,0.1353149653,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Co-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Co-Li-Mn-Nb-O, expected Li4Mn2Nb3Co3O20 to be Li4Mn2Nb3Co3O16" +mp-850531,Mn3Nb2Co3O16,-8.0634344862,-1.8900749562,0.0653288194,0.0653288194,GGA+U,Cm,A3B3C2D16_mC48_8_ab_ab_2a_8a4b:Co-Mn-Nb-O,24.0,"Invalid WP multiplicities - A3B3C2D16_mC48_8_ab_ab_2a_8a6b:Co-Mn-Nb-O, expected Mn3Nb2Co3O20 to be Mn3Nb2Co3O16" +mp-1191227,ReIr2(NCl)10,-5.0187250657,0.7191754298,1.2918339238,1.2918339238,GGA,C2/m,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Re,23.0,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Re +mp-1200188,ReIrBr6N5Cl,-4.3375520845,0.9576009605,1.4654955851,1.4654955851,GGA,P-1,A6BCD5E_aP56_2_12i_2i_2i_10i_2i:Br-Cl-Ir-N-Re,56.0,A6BCD5E_aP56_2_12i_2i_2i_10i_2i:Br-Cl-Ir-N-Re +mp-1229338,Ba13Ca2Re9(ClO15)3,-7.9089215083,-2.7824601107,0.0,-0.0040229753,GGA,P3,A13B2C3D45E9_hP144_143_a2b2c7d_ad_2d_30d_6d:Ba-Ca-Cl-O-Re,144.0,"Invalid WP multiplicities - A13B2C3D45E9_hP144_143_a2b2c18d_ad_2d_86d_17d:Ba-Ca-Cl-O-Re, expected Ba59Ca4Re51(ClO43)6 to be Ba13Ca2Re9(ClO15)3" +mp-12417,Ba2CaReO6,-7.713658638,-2.9168377168,0.0,-0.0618508945,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Ca-O-Re,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Ca-O-Re +mp-6635,Ba2CaReO6,-7.713477629,-2.9166567078,0.000181009,-0.0616698855,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Re +mp-1522984,SrCaHfZrO6,-8.820763436,-3.6327519099,0.1096033758,0.1096033758,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-Zr +mp-1521686,SmEuCrSnO6,-8.536171096,-2.7043371432,0.1882303381,0.1882303381,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sm-Sn,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sm-Sn +mp-1521253,Eu2CrSnO6,-9.046288169,-2.6606126497,0.0474998969,0.0474998969,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Sn,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Sn +mp-605835,Nd4MgRu,-5.1720045537,-0.1807925004,0.0,-0.0107664691,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Nd-Ru,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_4e4f6g_e:Mg-Nd-Ru, expected Nd19MgRu to be Nd4MgRu" +mp-6200,Ba2NdRuO6,-7.518524293,-2.762461081,0.0,-0.0428827874,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Nd-O-Ru,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Nd-O-Ru +mp-545735,Ba2NdRuO6,-7.515374183,-2.759310971,0.00315011,-0.0397326774,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Ru,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-Ru +mp-2217832,Ba2NdMgRuO6,-6.8950227127,-2.4258488791,0.3915859764,0.3915859764,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nd-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2el_b:Ba-Mg-Nd-O-Ru, expected Ba2NdMgRuO8 to be Ba2NdMgRuO6" +mp-2218072,Ba2NdMgRuO6,-6.8665256609,-2.3973518273,0.4200830282,0.4200830282,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nd-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Mg-Nd-O-Ru, expected Ba2NdMgRuO12 to be Ba2NdMgRuO6" +mp-2217822,Ba2NdMgRuO6,-6.9459458136,-2.47677198,0.3406628755,0.3406628755,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nd-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_6b_a:Ba-Mg-Nd-O-Ru, expected Ba2NdMgRuO18 to be Ba2NdMgRuO6" +mp-1214781,Ba4Nd(RuO4)3,-7.4561127075,-2.4747367401,0.0035243491,0.0035243491,GGA,C2/m,A4BC12D3_mC40_12_2i_a_2i2j_di:Ba-Nd-O-Ru,20.0,A4BC12D3_mC40_12_2i_a_2i2j_di:Ba-Nd-O-Ru +mp-6580,Ba3NdRu2O9,-7.4809137137,-2.5746419981,4.5325300000000005e-05,-0.0033404819,GGA,C2/c,A3BC9D2_mC60_15_ef_a_e4f_f:Ba-Nd-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_2e2f_c_e4f_f:Ba-Nd-O-Ru, expected Ba6NdRu2O9 to be Ba3NdRu2O9" +mp-6018,Ba3NdRu2O9,-7.480959039,-2.5746873234,0.0,-0.0033858072,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Nd-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_hP30_194_2b2f_a_hk_f:Ba-Nd-O-Ru, expected Ba6NdRu2O9 to be Ba3NdRu2O9" +mp-1210490,Nd23Mg4Ru7,-5.5140333388,-0.1908177821,0.0025327595,0.0025327595,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Ru,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Nd-Ru +mp-755108,Tl2Pb2O7,-5.3923574895,-1.1398664521,0.0716456136,0.0716456136,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pb-Tl,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pb-Tl, expected TlPbO10 to be Tl2Pb2O7" +mp-760447,Tl2(PbO3)3,-5.456138845,-1.1430369947,0.0875428914,0.0875428914,GGA,I-4m2,A9B3C2_tI28_119_c4f_ae_e:O-Pb-Tl,14.0,"Invalid WP multiplicities - A9B3C2_tI28_119_c7f_a2e_e:O-Pb-Tl, expected Tl2(PbO3)5 to be Tl2(PbO3)3" +mp-705900,Hf3Tl10Mo12PbO48,-7.8171857482,-2.0766518957,0.0,-0.0032594481,GGA+U,R-3,A3B12C48DE10_hR222_148_ac_2f_8f_b_2cf:Hf-Mo-O-Pb-Tl,74.0,"Invalid WP multiplicities - A3B12C48DE10_hR222_148_ac_3f_39f_b_4cf:Hf-Mo-O-Pb-Tl, expected Hf3Tl14Mo18PbO234 to be Hf3Tl10Mo12PbO48" +mp-1523223,SrCaSmSbO6,-7.142309948,-2.9200286504,0.1412240509,0.1412240509,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ca-O-Sb-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ca-O-Sb-Sm-Sr +mp-8449,Rb2Li2SiO4,-5.9419294394,-2.4984864669,0.0,-0.0246721447,GGA,P-1,A2B4C2D_aP18_2_2i_4i_2i_i:Li-O-Rb-Si,18.0,A2B4C2D_aP18_2_2i_4i_2i_i:Li-O-Rb-Si +mp-554752,RbLi7(SiO4)2,-6.2332435344,-2.6350690962,0.0,-0.0038611221,GGA,C2/m,A7B8CD2_mC72_12_ab2i2j_4i2j_i_2i:Li-O-Rb-Si,36.0,"Invalid WP multiplicities - A7B8CD2_mC72_12_ab4i5j_8i6j_i_2i:Li-O-Rb-Si, expected RbLi15(SiO10)2 to be RbLi7(SiO4)2" +mp-557656,RbNaSi2O5,-7.1167756589,-2.9070935498,0.0,-0.0097468161,GGA,P2_1/c,AB5CD2_mP36_14_e_5e_e_2e:Na-O-Rb-Si,36.0,"Invalid WP multiplicities - AB5CD2_mP36_14_e_19e_e_6e:Na-O-Rb-Si, expected RbNaSi6O19 to be RbNaSi2O5" +mp-16836,RbNa2Si17,-4.7707999575,0.021999601,0.0237350244,0.0237350244,GGA,Fd-3m,A2BC17_cF160_227_c_b_aeg:Na-Rb-Si,40.0,"Invalid WP multiplicities - A2BC17_cF160_227_c_b_ae2g:Na-Rb-Si, expected RbNa2Si29 to be RbNa2Si17" +mp-1202504,Rb7NaSi8,-3.2394854578,-0.0151849553,0.0,-0.0102732964,GGA,Pa-3,AB7C8_cP64_205_a_bd_cd:Na-Rb-Si,64.0,AB7C8_cP64_205_a_bd_cd:Na-Rb-Si +mp-559711,Rb2Na2SiO4,-5.6479127692,-2.3347803684,0.0,-0.0152911526,GGA,Pbca,A2B4C2D_oP72_61_2c_4c_2c_c:Na-O-Rb-Si,72.0,"Invalid WP multiplicities - A2B4C2D_oP72_61_10c_25c_7c_c:Na-O-Rb-Si, expected Rb7Na10SiO25 to be Rb2Na2SiO4" +mp-17240,RbNa3Li12(SiO4)4,-6.2009045536,-2.6258080021,0.0,-0.0013890918,GGA,I4/m,A12B3C16DE4_tI72_87_hi_ad_2hi_b_h:Li-Na-O-Rb-Si,36.0,A12B3C16DE4_tI72_87_hi_ad_2hi_b_h:Li-Na-O-Rb-Si +mp-560653,RbNaLi6(SiO4)2,-6.1833731011,-2.6177763058,0.0,-0.00405712,GGA,C2/m,A6BC8DE2_mC72_12_2i2j_g_4i2j_i_2i:Li-Na-O-Rb-Si,36.0,"Invalid WP multiplicities - A6BC8DE2_mC72_12_4i4j_g_8i7j_i_2i:Li-Na-O-Rb-Si, expected RbNaLi12(SiO11)2 to be RbNaLi6(SiO4)2" +mp-2228645,Dy2MgMo2(ClO4)2,-7.6902685613,-2.638552764,0.1529306232,0.1529306232,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Dy-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_7c:Cl-Dy-Mg-Mo-O, expected Dy2MgMo2(ClO7)2 to be Dy2MgMo2(ClO4)2" +mp-2228768,Dy2MgMo2(ClO4)2,-7.714359676,-2.6626438787,0.1288395085,0.1288395085,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Dy-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_7c:Cl-Dy-Mg-Mo-O, expected Dy2MgMo2(ClO7)2 to be Dy2MgMo2(ClO4)2" +mp-555683,DyMoClO4,-7.9874903664,-2.6892434443,0.0,-0.0172108488,GGA+U,C2/m,ABCD4_mC28_12_i_i_i_2ij:Cl-Dy-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_3i3j:Cl-Dy-Mo-O, expected DyMoClO9 to be DyMoClO4" +mp-552191,Ba2TbBiO6,-7.031945859,-2.8326521212,0.0,-0.0954275188,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Tb,10.0,"Invalid WP multiplicities - A2BC6D_mC20_12_i_a_i2j_d:Ba-Bi-O-Tb, expected Ba2TbBiO10 to be Ba2TbBiO6" +mp-1520515,Ba2TbBiO6,-7.0246943367,-2.825400599,0.0072515222,-0.0881759965,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Tb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Tb +mp-1520436,Ba2TbBiO6,-7.021167418,-2.8218736803,0.010778441,-0.0846490778,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Tb +mp-1518219,BaSrTbBiO6,-6.9999215553,-2.8235759662,0.003335424,0.003335424,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_cd_f:Ba-Bi-O-Sr-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_2c2d_f:Ba-Bi-O-Sr-Tb, expected BaSr2TbBiO12 to be BaSrTbBiO6" +mp-1518186,BaSrTbBiO6,-6.961880386,-2.7855347969,0.0413765932,0.0413765932,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Tb +mp-1520641,Sr2TbBiO6,-6.9745680995,-2.8211706591,0.0,-0.0185566336,GGA,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Bi-O-Sr-Tb,40.0,AB6C2D_cP40_201_b_h_ad_c:Bi-O-Sr-Tb +mp-1520629,Sr2TbBiO6,-6.906428276,-2.7530308356,0.0681398235,0.0495831899,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Tb +mp-1520946,BaNaCeSbO6,-7.1205670065,-2.8221947169,0.0335073972,0.0335073972,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ce-Na-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ce-Na-O-Sb, expected BaNa2CeSbO12 to be BaNaCeSbO6" +mp-1520760,BaNaCeSbO6,-7.118810177,-2.8204378874,0.0352642267,0.0352642267,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Na-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Na-O-Sb +mp-1520503,SrNdDyMnO6,-8.028082034,-3.0374245055,0.1610816721,0.1610816721,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Nd-O-Sr +mp-2240232,Ba2YbMgSbO6,-6.2373315964,-2.5294250766,0.3678187512,0.3678187512,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Sb-Yb,,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Sb-Yb, expected Ba2YbMgSbO12 to be Ba2YbMgSbO6" +mp-2239903,Ba2YbMgSbO6,-6.2563448782,-2.5484383584,0.3488054694,0.3488054694,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Sb-Yb,,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_4b_a_a:Ba-Mg-O-Sb-Yb, expected Ba2YbMgSbO12 to be Ba2YbMgSbO6" +mp-2239928,Ba2YbMgSbO6,-6.27311008,-2.5652035602,0.3320402675,0.3320402675,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Sb-Yb,,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Sb-Yb, expected Ba2YbMgSbO15 to be Ba2YbMgSbO6" +mp-14294,Ba2YbSbO6,-6.729459843,-2.8107906763,0.0,-0.0773804235,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Yb +mp-14223,Ba2YbSbO6,-4.98302141,-1.0643522432,1.746438433,1.6690580095,GGA,Fm-3m,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Yb,,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Yb +mp-10996,Yb(MgSb)2,-3.3877049,-0.788070728,0.0,-0.136031882,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mg-Sb-Yb,,A2B2C_hP5_164_d_d_a:Mg-Sb-Yb +mp-1520655,Ca2GaBiO6,-6.285949228,-2.22995751,0.1688876771,0.1688876771,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Ga-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Ga-O +mp-1228575,Ba2Ga11BiO20,-6.4932618168000005,-2.3779303614,0.0022050469,0.0022050469,GGA,Cm,A2BC11D20_mC68_8_2a_a_a5b_4a8b:Ba-Bi-Ga-O,34.0,"Invalid WP multiplicities - A2BC11D20_mC68_8_2a_a_a7b_4a12b:Ba-Bi-Ga-O, expected Ba2Ga15BiO28 to be Ba2Ga11BiO20" +mp-561446,BaCa(GaO2)4,-6.6072551364,-2.6350788079000003,0.0,-0.0082554276,GGA,Imm2,ABC4D8_oI28_44_a_b_e_cde:Ba-Ca-Ga-O,14.0,"Invalid WP multiplicities - ABC4D8_oI28_44_a_b_e_cd2e:Ba-Ca-Ga-O, expected BaCa(GaO3)4 to be BaCa(GaO2)4" +mp-1519159,BaCaGaBiO6,-6.315262424,-2.2679332,0.1343929583,0.1343929583,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Ga-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Ga-O +mp-1275082,Ca2CrSbO6,-7.429057914,-2.6817198402,0.0219257395,0.0219257395,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Cr-O-Sb,20.0,A2BC6D_mP20_11_2e_a_2e2f_c:Ca-Cr-O-Sb +mp-1518431,BaCaCr4O12,-7.5587651894,-1.8978191208,0.4167134886,0.4167134886,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Ca-Cr-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Ca-Cr-O, expected BaCaCr4O16 to be BaCaCr4O12" +mp-1516519,BaCaCrSbO6,-7.306922853,-2.5682472732,0.1201911953,0.1201911953,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Cr-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Cr-O-Sb +mp-1520172,Ba2CaCrO6,-7.12386944,-2.6061964903,0.0973003485,0.0973003485,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Cr-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Cr-O +mp-1044468,BaCaCr4O8,-8.1205889479,-2.2555693486,0.3971525473,0.3971525473,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Cr-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Cr-O +mp-1210331,Na2PrSiO5,-6.9875050333,-2.8114252635,0.0262340056,0.0262340056,GGA,Pnma,A2B5CD_oP36_62_d_3cd_c_c:Na-O-Pr-Si,36.0,A2B5CD_oP36_62_d_3cd_c_c:Na-O-Pr-Si +mp-557126,NaPr(Si3O7)2,-8.1863365069,-3.2813828167,0.0,-0.0023783628,GGA,Ibam,AB14CD6_oI176_72_ad_2j6k_f_2j2k:Na-O-Pr-Si,88.0,"Invalid WP multiplicities - AB14CD6_oI176_72_2a2d_8j40k_f_8j15k:Na-O-Pr-Si, expected Na2Pr(Si19O44)2 to be NaPr(Si3O7)2" +mp-1032037,BaMg6ZnO8,-5.7700565062,-2.4979372225,0.3841080479,0.3841080479,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Zn, expected BaMg6ZnO12 to be BaMg6ZnO8" +mp-1032040,BaMg6ZnO8,-5.7648453469,-2.4927260631,0.3893192073,0.3893192073,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Zn, expected BaMg6ZnO12 to be BaMg6ZnO8" +mp-1037462,Mg30NbZnO32,-6.3387544661,-2.9377624519000003,0.0654984524,0.0654984524,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Zn, expected Mg110NbZnO72 to be Mg30NbZnO32" +mp-1037466,Mg30NbZnO32,-6.3374608042,-2.93646879,0.0667921143,0.0667921143,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Zn, expected Mg90NbZnO80 to be Mg30NbZnO32" +mp-1022598,Mg6NbZn,-2.4862377056,0.1341034131,0.1855888681,0.1855888681,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Zn, expected Mg12NbZn to be Mg6NbZn" +mp-1022602,Mg6NbZn,-2.49674487,0.1235962487,0.1750817037,0.1750817037,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Zn, expected Mg12NbZn to be Mg6NbZn" +mp-1032050,Mg6NbZnO8,-6.36447149,-2.580956575,0.269966144,0.269966144,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Zn, expected Mg6NbZnO12 to be Mg6NbZnO8" +mp-1032083,Mg6NbZnO8,-6.3629972387,-2.5794823237,0.2714403952,0.2714403952,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Zn, expected Mg6NbZnO12 to be Mg6NbZnO8" +mp-1037601,BaMg30ZnO32,-6.1994306637,-2.9262875573,0.0847539848,0.0847539848,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Zn, expected BaMg110ZnO72 to be BaMg30ZnO32" +mp-1037611,BaMg30ZnO32,-6.2013259606,-2.9281828542,0.0828586879,0.0828586879,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Zn, expected BaMg90ZnO80 to be BaMg30ZnO32" +mp-7249,Ba3Nb2ZnO9,-7.8547045787,-3.0720727846,0.0,-0.0072019867,GGA,P-3m1,A3B2C9D_hP15_164_ad_d_ei_b:Ba-Nb-O-Zn,15.0,A3B2C9D_hP15_164_ad_d_ei_b:Ba-Nb-O-Zn +mp-1034964,BaMg14ZnO16,-6.0501699622,-2.77736813,0.1906746549,0.1906746549,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Zn, expected BaMg18ZnO20 to be BaMg14ZnO16" +mp-1034935,BaMg14ZnO16,-6.0458796434,-2.7730778112000003,0.1949649736,0.1949649736,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Zn, expected BaMg30ZnO32 to be BaMg14ZnO16" +mp-1097603,Ba2MgZn,-0.3421016975,1.3323916875,1.4581642303,1.4581642303,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Mg-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Mg-Zn +mp-2232700,Ba3MgNb2ZnO9,-7.2781277644,-2.6943929543,0.3701291863,0.3701291863,GGA,Cm,A3BC2D9E_mC32_8_3a_a_2a_3a3b_a:Ba-Mg-Nb-O-Zn,16.0,"Invalid WP multiplicities - A3BC2D9E_mC32_8_3a_a_2a_3a5b_a:Ba-Mg-Nb-O-Zn, expected Ba3MgNb2ZnO13 to be Ba3MgNb2ZnO9" +mp-2232814,Ba3MgNb2ZnO9,-7.4813938931,-2.897659083,0.1668630575,0.1668630575,GGA,Cm,A3BC2D9E_mC32_8_3a_a_2a_3a3b_a:Ba-Mg-Nb-O-Zn,16.0,A3BC2D9E_mC32_8_3a_a_2a_3a3b_a:Ba-Mg-Nb-O-Zn +mp-2233355,Ba3MgNb2ZnO9,-7.3475979138,-2.7638631037,0.3006590369,0.3006590369,GGA,C2/m,A3BC2D9E_mC32_12_ai_d_i_beij_c:Ba-Mg-Nb-O-Zn,16.0,"Invalid WP multiplicities - A3BC2D9E_mC32_12_ci_a_i_de2i3j_b:Ba-Mg-Nb-O-Zn, expected Ba3MgNb2ZnO19 to be Ba3MgNb2ZnO9" +mp-1022622,BaMg6Zn,-1.5586006662,0.03894919,0.122060215,0.122060215,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:Ba-Mg-Zn +mp-1022652,BaMg6Zn,-1.5198022894,0.0777475669,0.1608585919,0.1608585919,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Zn, expected BaMg12Zn to be BaMg6Zn" +mp-1034949,Mg14NbZnO16,-6.3429185384,-2.8144188906,0.1380626185,0.1380626185,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Zn, expected Mg18NbZnO20 to be Mg14NbZnO16" +mp-1035709,Mg14NbZnO16,-6.3454766344,-2.8169769866000003,0.1355045226,0.1355045226,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Zn, expected Mg30NbZnO32 to be Mg14NbZnO16" +mp-1028089,BaMg14Zn,-1.5419028094,0.0570121437,0.113199225,0.113199225,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Zn, expected BaMg18Zn to be BaMg14Zn" +mp-1027995,BaMg14Zn,-1.5262704106,0.0726445425,0.1288316237,0.1288316237,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Zn, expected BaMg26Zn to be BaMg14Zn" +mp-1028003,Mg14NbZn,-2.045769135,0.0645414494,0.1033841468,0.1033841468,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Zn, expected Mg18NbZn to be Mg14NbZn" +mp-1027996,Mg14NbZn,-2.0519991556,0.0583114288,0.0971541262,0.0971541262,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Zn, expected Mg26NbZn to be Mg14NbZn" +mp-1211881,LaZnCo2,-5.2195327238,-0.1164361475,0.0595592854,0.0595592854,GGA,P6_3/mmc,A2BC_hP24_194_k_cf_abd:Co-La-Zn,24.0,A2BC_hP24_194_k_cf_abd:Co-La-Zn +mp-1040836,LaCrCoO6,-7.7522174661,-2.0436058397,0.1725668933,0.1725668933,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Co-Cr-La-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_12a:Co-Cr-La-O, expected LaCrCoO12 to be LaCrCoO6" +mp-1025485,LaZn2Co,-3.8307898988,-0.1898368688,0.0914345425,0.0914345425,GGA,Cmcm,ABC2_oC16_63_c_c_g:Co-La-Zn,8.0,ABC2_oC16_63_c_c_g:Co-La-Zn +mp-1277156,La2ZnCoO6,-7.4407614318,-2.6487406435,0.0083354453,-0.0173436562,GGA+U,P-1,AB2C6D_aP20_2_bc_2i_6i_i:Co-La-O-Zn,40.0,AB2C6D_hR30_148_a_c_f_b:Co-La-O-Zn +mp-1272890,La2ZnCoO6,-7.449096877,-2.6570760888,0.0,-0.0256791015,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Co-La-O-Zn,20.0,AB2C6D_hR30_148_a_c_f_b:Co-La-O-Zn +mp-1042883,ZnCr2CoO7,-7.2855214711,-1.6217962599,0.1540298786,0.1540298786,GGA+U,P2_1/c,AB2C7D_mP88_14_2e_4e_14e_2e:Co-Cr-O-Zn,88.0,"Invalid WP multiplicities - AB2C7D_mP88_14_2e_7e_17e_3e:Co-Cr-O-Zn, expected Zn3Cr7Co2O17 to be ZnCr2CoO7" +mp-1215697,ZnCr4CoO8,-8.3871071629,-2.2046956646,0.0026488754,0.0026488754,GGA+U,F-43m,AB4C8D_cF56_216_a_e_2e_c:Co-Cr-O-Zn,28.0,AB4C8D_cF56_216_a_e_2e_c:Co-Cr-O-Zn +mp-2226684,Ba2LuMgSbO6,-6.5837417318,-2.6048040993,0.4576323681,0.4576323681,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Lu-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e3l_b:Ba-Lu-Mg-O-Sb, expected Ba2LuMgSbO16 to be Ba2LuMgSbO6" +mp-2217285,Ba2LuMgSbO6,-6.6697343391,-2.6907967066,0.3716397609,0.3716397609,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Lu-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_3b_a:Ba-Lu-Mg-O-Sb, expected Ba2LuMgSbO9 to be Ba2LuMgSbO6" +mp-2227020,Ba2LuMgSbO6,-6.8086155900000005,-2.8296779575,0.23275851,0.23275851,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Lu-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_3b_a:Ba-Lu-Mg-O-Sb, expected Ba2LuMgSbO9 to be Ba2LuMgSbO6" +mp-647903,Ba2LuSbO6,-5.117678137,-0.9008747462,2.228488095,2.1178734358,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Ba-Lu-O-Sb,10.0,A2BC6D_cF40_225_c_a_d_b:Ba-Lu-O-Sb +mp-1078185,Ba2LuSbO6,-7.346166232,-3.1293628412,0.0,-0.1106146592,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Lu-O-Sb +mp-1521491,LiLaHfTiO6,-8.901309623,-3.4635352944,0.1869873418,0.1869873418,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Li-O-Ti,,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Li-O-Ti +mp-554733,Li4Al3Ge3BrO12,-6.721822855,-2.6498752295,0.0,-0.0079937172,GGA,P-43n,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Br-Ge-Li-O,46.0,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Br-Ge-Li-O +mp-1180582,LiAl2BrO6,-5.6989177105,-1.6355941981000002,0.5441363734,0.5441363734,GGA,Cmcm,A2BCD6_oC40_63_e_c_a_fh:Al-Br-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_oC40_63_e_c_a_4f4h:Al-Br-Li-O, expected LiAl2BrO24 to be LiAl2BrO6" +mp-1106116,LiAl2BrO6,-5.831478072,-1.7681545596,0.4115760119,0.4115760119,GGA,P6_3/mcm,A2BCD6_hP20_193_d_a_b_k:Al-Br-Li-O,20.0,A2BCD6_hP20_193_d_a_b_k:Al-Br-Li-O +mp-1214833,AlBrO,-6.0266289458,-2.6115313221000003,0.0,-0.0048060239,GGA,Pca2_1,ABC_oP12_29_a_a_a:Al-Br-O,12.0,ABC_oP12_29_a_a_a:Al-Br-O +mp-1288525,Ba2FeMoO6,-7.7851213155,-2.5017459687,0.0001280155,-0.0302122536,GGA+U,C2/c,A2BCD6_mC40_15_f_e_c_3f:Ba-Fe-Mo-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_e_c_6f:Ba-Fe-Mo-O, expected Ba2FeMoO12 to be Ba2FeMoO6" +mp-1288978,Ba2FeMoO6,-7.785249331,-2.5018739842,0.0,-0.0303402691,GGA+U,C2/c,A2BCD6_mC40_15_f_e_c_3f:Ba-Fe-Mo-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_e_a_9f:Ba-Fe-Mo-O, expected Ba2FeMoO18 to be Ba2FeMoO6" +mp-1277787,Ba2FeMoO6,-7.784411908,-2.5010365612000003,0.000837423,-0.0295028461,GGA+U,P4_2/mnm,A2BCD6_tP20_136_d_a_b_efg:Ba-Fe-Mo-O,20.0,"Invalid WP multiplicities - A2BCD6_tP20_136_d_a_b_e2f3g:Ba-Fe-Mo-O, expected Ba2FeMoO12 to be Ba2FeMoO6" +mp-18995,Ba2FeMoO6,-7.781958845,-2.4985834982,0.003290486,-0.0270497831,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Fe-Mo-O,10.0,A2BCD6_mC20_12_i_a_c_ij:Ba-Fe-Mo-O +mp-2217283,Ba2MgFeMoO6,-7.3330497,-2.3845011984,0.1940804364,0.1940804364,GGA+U,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Fe-Mg-Mo-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Fe-Mg-Mo-O +mp-2218098,Ba2MgFeMoO6,-7.1763697164,-2.2278212148,0.35076042,0.35076042,GGA+U,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Fe-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e2l:Ba-Fe-Mg-Mo-O, expected Ba2MgFeMoO12 to be Ba2MgFeMoO6" +mp-2217706,Ba2MgFeMoO6,-7.1108147027,-2.1622662011,0.4163154336,0.4163154336,GGA+U,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Fe-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_3b:Ba-Fe-Mg-Mo-O, expected Ba2MgFeMoO9 to be Ba2MgFeMoO6" +mp-18733,AlTl(MoO4)2,-7.8192115767,-2.2047925028,0.0,-0.0160080832,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:Al-Mo-O-Tl,12.0,"Invalid WP multiplicities - AB2C8D_hP12_164_a_d_d2i_b:Al-Mo-O-Tl, expected AlTl(MoO7)2 to be AlTl(MoO4)2" +mp-1185759,Mg17Al11Tl,-2.4550031245,-0.0147018098,0.0135019613,0.0135019613,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Tl,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Tl, expected Mg27Al19Tl to be Mg17Al11Tl" +mp-1233987,MgAl4Tl4O12,-6.2663786233,-2.2000252666,0.2024436607,0.2024436607,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Mg-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Mg-O-Tl +mp-1234785,MgAl4Tl4O12,-6.2729139324,-2.2065605756,0.1959083517,0.1959083517,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Mg-O-Tl,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Al-Mg-O-Tl +mp-1233153,MgAl4Tl4O12,-6.2150846867,-2.1487313299,0.2537375974,0.2537375974,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Mg-O-Tl,21.0,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Mg-O-Tl +mp-1233311,MgAl4Tl4O12,-6.2200206133,-2.1536672566,0.2488016707,0.2488016707,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Mg-O-Tl,21.0,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Al-Mg-O-Tl +mp-1185714,Mg16Al12Tl,-2.528562981,-0.0142859498,0.0132259584,0.0132259584,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Tl,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Tl, expected Mg26Al20Tl to be Mg16Al12Tl" +mp-1232421,Mg16Al12Tl,-2.5297419759,-0.0154649446,0.0120469636,0.0120469636,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Tl,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a9b5c_a:Al-Mg-Tl, expected Mg58Al48Tl to be Mg16Al12Tl" +mp-1185715,Mg16Al12Tl,-2.5229353459,-0.0086583146,0.0188535936,0.0188535936,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Tl,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_4c4g_a:Al-Mg-Tl, expected Mg64Al12Tl to be Mg16Al12Tl" +mp-2219284,MgAlTl(MoO4)2,-7.2700437946,-1.9644046456,0.4190445216,0.4190445216,GGA+U,P3m1,ABC2D8E_hP13_156_b_a_ac_ac2d_b:Al-Mg-Mo-O-Tl,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_b_a_ac_ac3d_b:Al-Mg-Mo-O-Tl, expected MgAlTlMo2O11 to be MgAlTl(MoO4)2" +mp-2241198,MgAlTl(MoO4)2,-7.2819308885,-1.9762917395,0.4071574278,0.4071574278,GGA+U,P3m1,ABC2D8E_hP13_156_a_a_bc_bc2d_a:Al-Mg-Mo-O-Tl,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_a_a_bc_bc3d_a:Al-Mg-Mo-O-Tl, expected MgAlTlMo2O11 to be MgAlTl(MoO4)2" +mp-1183418,BeCdO3,-5.172055926,-1.2715821743,0.5159536892000001,0.5159536892000001,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Cd-O,5.0,ABC3_cP5_221_b_a_c:Be-Cd-O +mp-16793,Be3Cd4Si3SeO12,-6.6744849433,-2.5857054764000003,0.0,-0.0427003975,GGA,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Cd-O-Se-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Cd-O-Se-Si +mp-1371485,Sr2GaFe2O7,-6.8872284292,-2.0560662352,0.270318161,0.270318161,GGA+U,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Fe-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_oI48_46_c_b_2b7c_c:Fe-Ga-O-Sr, expected Sr2Ga(FeO8)2 to be Sr2GaFe2O7" +mp-1048505,Sr2AlGaFe2O7,-7.2276988769,-2.4800433263,0.107882104,0.107882104,GGA+U,Cc,AB2CD7E2_mC52_9_a_2a_a_7a_2a:Al-Fe-Ga-O-Sr,26.0,"Invalid WP multiplicities - AB2CD7E2_mC52_9_a_4a_a_10a_4a:Al-Fe-Ga-O-Sr, expected Sr4AlGa(Fe2O5)2 to be Sr2AlGaFe2O7" +mp-1218880,Sr2Al3FeO8,-7.5945840014,-3.1189236231,0.0133631383,0.0133631383,GGA+U,P2_1,A3BC8D2_mP28_4_3a_a_8a_2a:Al-Fe-O-Sr,28.0,A3BC8D2_mP28_4_3a_a_8a_2a:Al-Fe-O-Sr +mp-1187287,Tb(Mg4Al3)4,-2.6579099486,-0.0652976431,0.0180996956,0.0180996956,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Tb,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Tb, expected TbMg49Al48 to be Tb(Mg4Al3)4" +mp-1187293,Tb(Mg4Al3)4,-2.6636192734,-0.0710069679,0.0123903707,0.0123903707,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Tb,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Tb, expected Tb(Mg5Al)12 to be Tb(Mg4Al3)4" +mp-1233298,Tb4MgAl2(FeO6)2,-8.1044366562,-3.1554269864,0.1521966239,0.1521966239,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb +mp-1233341,Tb4MgAl2(FeO6)2,-8.0988252324,-3.1498155626,0.1578080477,0.1578080477,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb +mp-1233783,Tb4MgAl2(FeO6)2,-8.1169712476,-3.1679615779,0.1396620324,0.1396620324,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Mg-O-Tb +mp-1217718,Tb2AlFeO6,-8.3966702735,-3.2802241227,0.0179092136,0.0179092136,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Al-Fe-O-Tb,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_5e_e:Al-Fe-O-Tb, expected Tb2AlFeO10 to be Tb2AlFeO6" +mp-1036658,Mg14AlFeO16,-6.4562580822,-2.9010537972,0.091255203,0.091255203,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Fe-Mg-O, expected Mg18AlFeO20 to be Mg14AlFeO16" +mp-1036709,Mg14AlFeO16,-6.4323385884,-2.8771343034,0.1151746968,0.1151746968,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Fe-Mg-O, expected Mg30AlFeO32 to be Mg14AlFeO16" +mp-1033177,Mg6AlFeO8,-6.5583157775,-2.7213915881,0.209186113,0.209186113,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Fe-Mg-O, expected Mg6AlFeO12 to be Mg6AlFeO8" +mp-1033183,Mg6AlFeO8,-6.5120889631,-2.6751647737,0.2554129273,0.2554129273,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Fe-Mg-O, expected Mg6AlFeO12 to be Mg6AlFeO8" +mp-1038379,Mg30AlFeO32,-6.3949738159,-2.9806294831,0.0425451667,0.0425451667,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Fe-Mg-O, expected Mg90AlFeO80 to be Mg30AlFeO32" +mp-1038385,Mg30AlFeO32,-6.3827023775,-2.9683580447,0.0548166051,0.0548166051,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Fe-Mg-O, expected Mg110AlFeO72 to be Mg30AlFeO32" +mp-1222041,MgAlFeO4,-7.5056551086,-2.7052791179,0.0365205529,0.0365205529,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Al-Fe-Mg-O,28.0,ABCD4_oI28_74_a_e_c_hi:Al-Fe-Mg-O +mp-757731,Li4Nb2Fe3Co3O16,-7.5572080489,-2.0671959796,0.0413750425,0.0413750425,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Co-Fe-Li-Nb-O, expected Li4Nb2Fe3Co3O20 to be Li4Nb2Fe3Co3O16" +mp-1220766,Nb2FeCo3,-8.4872718925,-0.1543411133,0.0017787848,0.0017787848,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-Fe-Nb,12.0,A3BC2_hP12_194_h_a_f:Co-Fe-Nb +mp-8070,Li2BeSiO4,-7.0665825912,-2.9704161571,0.0,-0.03189487,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Be-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_2a_7a_a:Be-Li-O-Si, expected Li2BeSiO7 to be Li2BeSiO4" +mp-554159,Li2BeSiO4,-7.0609233512,-2.9647569171,0.00565924,-0.02623563,GGA,C222_1,AB2C4D_oC32_20_a_ab_2c_b:Be-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_oC32_20_a_2a2b_5c_b:Be-Li-O-Si, expected Li4BeSiO10 to be Li2BeSiO4" +mp-1212878,Er2Be2SiO7,-8.3146183737,-3.5924181772,0.0003891542,0.0003891542,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Be-Er-O-Si,24.0,A2B2C7D_tP24_113_e_e_cef_a:Be-Er-O-Si +mp-1236195,LiEr4Be4(SiO7)2,-7.9316133016,-3.3219441982,0.1659647627,0.1659647627,GGA,Cm,A4B4CD14E2_mC50_8_2ab_2ab_a_4a5b_b:Be-Er-Li-O-Si,25.0,"Invalid WP multiplicities - A4B4CD14E2_mC50_8_2ab_2ab_a_4a7b_b:Be-Er-Li-O-Si, expected LiEr4Be4(SiO9)2 to be LiEr4Be4(SiO7)2" +mp-1236263,LiEr4Be4(SiO7)2,-7.8958964444,-3.286227341,0.2016816199,0.2016816199,GGA,Cm,A4B4CD14E2_mC50_8_2ab_2ab_a_4a5b_b:Be-Er-Li-O-Si,25.0,"Invalid WP multiplicities - A4B4CD14E2_mC50_8_2ab_2ab_a_4a7b_b:Be-Er-Li-O-Si, expected LiEr4Be4(SiO9)2 to be LiEr4Be4(SiO7)2" +mp-1236794,LiEr4Be4(SiO7)2,-7.9494381148,-3.3397690114,0.1481399495,0.1481399495,GGA,P-4,A4B4CD14E2_tP25_81_h_h_b_g3h_ac:Be-Er-Li-O-Si,25.0,"Invalid WP multiplicities - A4B4CD14E2_tP25_81_h_h_b_g5h_ac:Be-Er-Li-O-Si, expected LiEr4Be4(SiO11)2 to be LiEr4Be4(SiO7)2" +mp-1047971,BaCaNiF7,-5.5754817295,-3.2669753022,0.0737975383,0.0737975383,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Ni,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Ni, expected BaCaNiF23 to be BaCaNiF7" +mp-1046122,Ba2CaCuNi2F14,-5.375093015,-2.9619062482,0.0594105414,0.0594105414,GGA+U,P1,A2BCD14E2_aP40_1_4a_2a_2a_28a_4a:Ba-Ca-Cu-F-Ni,40.0,"Invalid WP multiplicities - A2BCD14E2_aP40_2_4i_i_ab_27i_2i:Ba-Ca-Cu-F-Ni, expected Ba4CaCuNi2F27 to be Ba2CaCuNi2F14" +mp-644828,AuXe2F17,-2.7125819557,-0.9205133164,0.0,-0.0243847833,GGA,Pnma,AB17C2_oP80_62_c_7c5d_2c:Au-F-Xe,80.0,"Invalid WP multiplicities - AB17C2_oP80_62_c_28c36d_3c:Au-F-Xe, expected AuXe3F100 to be AuXe2F17" +mp-554574,Sb4Au(Xe2F11)2,-4.1468834165,-2.1472988705,0.0,-0.0176637895,GGA,P-1,AB22C4D4_aP62_2_i_22i_4i_4i:Au-F-Sb-Xe,62.0,"Invalid WP multiplicities - AB22C4D4_aP62_2_i_43i_8i_8i:Au-F-Sb-Xe, expected Sb8AuXe8F43 to be Sb4Au(Xe2F11)2" +mp-1201410,Sb4Au(Xe2F11)2,-4.1468044524,-2.1472199065,7.8964e-05,-0.0175848255,GGA,P4_32_12,AB22C4D4_tP124_96_a_11b_2b_2ab:Au-F-Sb-Xe,124.0,AB22C4D4_tP124_96_a_11b_2b_2ab:Au-F-Sb-Xe +mp-1214780,AuXeF9,-2.8476601282000003,-0.9828085939,0.0254595969,0.0254595969,GGA,I4/m,AB9C_tI44_87_c_e2i_e:Au-F-Xe,22.0,AB9C_tI44_87_c_e2i_e:Au-F-Xe +mp-1190046,Sb2Au(XeF6)2,-4.0974672747,-2.0655860729,0.0018323144,0.0018323144,GGA,P-1,AB12C2D2_aP17_2_a_6i_i_i:Au-F-Sb-Xe,17.0,AB12C2D2_aP17_2_a_6i_i_i:Au-F-Sb-Xe +mp-1205033,Sb3Au(XeF9)2,-4.2651554127,-2.1759947679,0.0,-0.0067077806,GGA,P2_1/c,AB18C3D2_mP96_14_e_18e_3e_2e:Au-F-Sb-Xe,96.0,AB18C3D2_mP96_14_e_18e_3e_2e:Au-F-Sb-Xe +mp-1201608,Sb2AsAuXeF14,-4.5473306983,-2.2848105614,0.0,-0.0068816338,GGA,Pna2_1,ABC14D2E_oP76_33_a_a_14a_2a_a:As-Au-F-Sb-Xe,76.0,ABC14D2E_oP76_33_a_a_14a_2a_a:As-Au-F-Sb-Xe +mp-1193919,Sb3Au2Xe2F19,-4.2272063619,-2.0993134218,0.0,-0.0111607517,GGA,P-1,A2B19C3D2_aP26_2_i_b9i_ci_i:Au-F-Sb-Xe,26.0,A2B19C3D2_aP26_2_i_b9i_ci_i:Au-F-Sb-Xe +mp-758923,SbAsAuF9,-4.7329557025,-2.2941796731,0.0134922493,0.0134922493,GGA,P2_1/c,ABC9D_mP48_14_e_e_9e_e:As-Au-F-Sb,48.0,"Invalid WP multiplicities - ABC9D_mP48_14_e_e_33e_e:As-Au-F-Sb, expected SbAsAuF33 to be SbAsAuF9" +mp-555884,ErCuTe2ClO6,-6.2278842011,-2.0022290926,0.0,-0.0002505586,GGA,P2_1/c,ABCD6E2_mP44_14_e_e_e_6e_2e:Cl-Cu-Er-O-Te,44.0,"Invalid WP multiplicities - ABCD6E2_mP44_14_e_e_e_20e_6e:Cl-Cu-Er-O-Te, expected ErCuTe6ClO20 to be ErCuTe2ClO6" +mp-1218113,SrPrNiRuO6,-7.5114852015,-2.3909781319,0.0,-0.0133022553,GGA+U,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Ni-O-Pr-Ru-Sr,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Ni-O-Pr-Ru-Sr +mp-1520664,SrSmHfCrO6,-8.89486267,-3.3250178344,0.1677574473,0.1677574473,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Cr-Hf-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Cr-Hf-O-Sm-Sr +mp-866181,Li2NdIn,-3.14987942,-0.315460196,0.0,-0.0506971202,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Nd,4.0,AB2C_cF16_225_a_c_b:In-Li-Nd +mp-1185415,LiNdIn2,-3.4333617975,-0.3882523577,0.0360087141,0.0360087141,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Nd,4.0,A2BC_cF16_225_c_a_b:In-Li-Nd +mp-1235949,LiNd4Nb2In2O14,-8.1029454204,-3.0620266337,0.1073930901,0.1073930901,GGA,Cm,A2BC2D4E14_mC46_8_2a_a_b_2ab_6a4b:In-Li-Nb-Nd-O,23.0,"Invalid WP multiplicities - A2BC2D4E14_mC46_8_2a_a_b_2ab_6a6b:In-Li-Nb-Nd-O, expected LiNd4Nb2In2O18 to be LiNd4Nb2In2O14" +mp-1220555,Nd2NbInO7,-8.3906757236,-3.207393486,0.0284209644,0.0284209644,GGA,Imma,ABC2D7_oI44_74_a_c_bd_3ej:In-Nb-Nd-O,22.0,"Invalid WP multiplicities - ABC2D7_oI44_74_a_c_bd_5e2j:In-Nb-Nd-O, expected Nd2NbInO13 to be Nd2NbInO7" +mp-1183606,CaEuGa2,-5.0454021325,-0.4657037012,0.0083249225,0.0083249225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Ga,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Ga +mp-1516293,CaEu(SnO3)4,-6.8784263289,-2.0083622381,0.2594309173,0.2594309173,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ca-Eu-O-Sn,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ca-Eu-O-Sn, expected CaEu(Sn2O9)2 to be CaEu(SnO3)4" +mp-1518540,Ca2ZrSnO6,-7.63361493,-3.0087544788,0.1669385703,0.1669385703,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sn-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sn-Zr +mp-1519892,CaEuZrSnO6,-8.485741517,-3.0357408737,0.1280710953,0.1280710953,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sn-Zr +mp-1518454,BaSrDyNbO6,-8.2560643195,-3.4563950654,0.007518864,0.007518864,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Dy-Nb-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Dy-Nb-O-Sr, expected BaSrDyNbO12 to be BaSrDyNbO6" +mp-1518293,BaSrDyNbO6,-8.254621205,-3.4549519509,0.0089619785,0.0089619785,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Dy-Nb-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Dy-Nb-O-Sr +mp-1518304,BaSrDyNbO6,-8.232254553,-3.4325852989,0.0313286305,0.0313286305,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Nb-O-Sr +mp-1517354,Sr2DyNbO6,-8.232664853,-3.4559437476,0.01136013,0.01136013,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Dy-Nb-O-Sr,,ABC6D2_cP40_201_b_c_h_ad:Dy-Nb-O-Sr +mp-1517204,Sr2DyNbO6,-8.186629368,-3.4099082626,0.057395615,0.057395615,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Dy-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Dy-Nb-O-Sr +mp-1516884,Ba2DyNbO6,-8.2789163573,-3.4562989545,0.0042250267,-0.035529116,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Dy-Nb-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Dy-Nb-O +mp-12640,Ba2DyNbO6,-8.283141384,-3.4605239812,0.0,-0.0397541428,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Dy-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Dy-Nb-O +mp-561965,Ca3Nb2CoO9,-8.2455430258,-3.0556812981,0.0,-0.0069893057,GGA+U,P2_1/c,A3BC2D9_mP60_14_3e_ad_2e_9e:Ca-Co-Nb-O,60.0,"Invalid WP multiplicities - A3BC2D9_mP60_14_10e_ad_6e_33e:Ca-Co-Nb-O, expected Ca10Nb6CoO33 to be Ca3Nb2CoO9" +mp-1324889,Ca5Nb4(CoO9)2,-8.1832253874,-2.883561527,0.0739811675,0.0739811675,GGA+U,Pc,A5B2C4D18_mP58_7_5a_2a_4a_18a:Ca-Co-Nb-O,58.0,"Invalid WP multiplicities - A5B2C4D18_mP58_7_9a_2a_7a_35a:Ca-Co-Nb-O, expected Ca9Nb7Co2O35 to be Ca5Nb4(CoO9)2" +mp-1047021,Ca2Nb2CoO8,-8.3444014942,-2.8908909308,0.0977022242,0.0977022242,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Ca-Co-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Ca-Co-Nb-O, expected Ca2Nb2CoO10 to be Ca2Nb2CoO8" +mp-1364209,Ca2Nb2CoO9,-8.1414203729,-2.7241113703,0.1019628992,0.1019628992,GGA+U,P2_1/c,A2BC2D9_mP56_14_2e_ad_2e_9e:Ca-Co-Nb-O,56.0,"Invalid WP multiplicities - A2BC2D9_mP56_14_4e_ad_6e_33e:Ca-Co-Nb-O, expected Ca4Nb6CoO33 to be Ca2Nb2CoO9" +mp-1520376,CaEu(CoO3)4,-6.8494416472,-1.2907673475,0.2777106176,0.2777106176,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ca-Co-Eu-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ca-Co-Eu-O, expected CaEu(CoO4)4 to be CaEu(CoO3)4" +mp-19118,BaNd2CoO5,-7.8418357222,-3.0310544826,0.0,-0.0045002184,GGA+U,Immm,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Nd-O,9.0,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Nd-O +mp-1228541,Ba4Sr2Nd2Co4O15,-7.1377209346,-2.5738400687,0.0,-0.0172297182,GGA+U,Cc,A4B4C2D15E2_mC108_9_4a_4a_2a_15a_2a:Ba-Co-Nd-O-Sr,54.0,"Invalid WP multiplicities - A4B4C2D15E2_mC108_9_7a_7a_4a_30a_2a:Ba-Co-Nd-O-Sr, expected Ba7Sr2Nd4Co7O30 to be Ba4Sr2Nd2Co4O15" +mp-1517422,BaSr(CoO3)4,-6.2860826689,-1.2081935518,0.2952384872,0.2952384872,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Co-O-Sr,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Co-O-Sr, expected BaSr(CoO4)4 to be BaSr(CoO3)4" +mp-561781,Ba2Nd2Co4O11,-7.3514592995,-2.2871913127,0.0595472317,0.0595472317,GGA+U,Pmm2,A2B4C2D11_oP19_25_f_2a2c_f_2a2bc2d2e:Ba-Co-Nd-O,19.0,"Invalid WP multiplicities - A2B4C2D11_oP19_25_f_2a2c_f_2a2bc2d3e:Ba-Co-Nd-O, expected Ba2Nd2Co4O13 to be Ba2Nd2Co4O11" +mp-21072,Ba2Nd2Co4O11,-7.2966504889,-2.2323825022,0.1143560422,0.1143560422,GGA+U,Pmmm,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Nd-O,19.0,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Nd-O +mp-1228483,Ba2Nd2Co4O11,-7.3757601953,-2.3114922085,0.0352463359,0.0352463359,GGA+U,I4/mmm,A2B4C2D11_tI38_139_d_2e_c_aem:Ba-Co-Nd-O,19.0,"Invalid WP multiplicities - A2B4C2D11_tI38_139_d_3e_c_aem:Ba-Co-Nd-O, expected Ba2Nd2Co6O11 to be Ba2Nd2Co4O11" +mp-1228415,Ba3Nd3(Co3O8)2,-7.3833855411,-2.3170179244,0.0424587587,0.0424587587,GGA+U,C2/m,A3B6C3D16_mC56_12_ai_3i_di_bci3j:Ba-Co-Nd-O,28.0,"Invalid WP multiplicities - A3B6C3D16_mC56_12_ai_5i_d2i_bc2i12j:Ba-Co-Nd-O, expected Ba3Nd5(Co5O27)2 to be Ba3Nd3(Co3O8)2" +mp-1642439,Ba3Sr(CoO3)4,-6.803267225,-2.0412695256,0.0054824563,0.0054824563,GGA+U,P2,A3B4C12D_mP20_3_abc_2e_abcd4e_d:Ba-Co-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_3_abc_4e_abcd4e_d:Ba-Co-O-Sr, expected Ba3Sr(Co2O3)4 to be Ba3Sr(CoO3)4" +mp-1228377,Ba3Sr(CoO3)4,-6.798672643,-2.0366749436,0.0100770383,0.0100770383,GGA+U,Pmm2,A3B4C12D_oP20_25_abc_ef_abcd2g2h_d:Ba-Co-O-Sr,20.0,"Invalid WP multiplicities - A3B4C12D_oP20_25_abc_2e2f_abcd2g2h_d:Ba-Co-O-Sr, expected Ba3Sr(Co2O3)4 to be Ba3Sr(CoO3)4" +mp-1523095,BaNd(CoO3)4,-6.6270613611,-1.3781359118,0.2598945717,0.2598945717,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Co-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Co-Nd-O, expected BaNd(CoO4)4 to be BaNd(CoO3)4" +mp-24853,BaNdCo2O5,-7.4029627944,-2.3321626257,0.0542056833,0.0542056833,GGA+U,Pmmm,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-Nd-O,9.0,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-Nd-O +mp-1182245,BaNdCo2O5,-7.37878613,-2.3079859613,0.0783823478,0.0783823478,GGA+U,P4mm,AB2CD5_tP9_99_a_2b_a_b2c:Ba-Co-Nd-O,9.0,"Invalid WP multiplicities - AB2CD5_tP9_123_a_h_b_c2i:Ba-Co-Nd-O, expected BaNdCo2O9 to be BaNdCo2O5" +mp-20926,BaNdCo2O5,-7.4020219922,-2.3312218235,0.0551464856,0.0551464856,GGA+U,P4/mmm,AB2CD5_tP9_123_a_h_b_ci:Ba-Co-Nd-O,9.0,AB2CD5_tP9_123_a_h_b_ci:Ba-Co-Nd-O +mp-1566976,BaSr3(CoO3)4,-6.7668907375,-2.0278411868,0.0051324125,-0.0098316111,GGA+U,Pm,AB4C12D3_mP20_6_a_2a2b_2a2b4c_a2b:Ba-Co-O-Sr,20.0,AB4C12D3_mP20_6_a_2a2b_2a2b4c_a2b:Ba-Co-O-Sr +mp-1227831,BaSr3(CoO3)4,-6.77202315,-2.0329735992,0.0,-0.0149640236,GGA+U,Pmm2,AB4C12D3_oP20_25_a_ef_abcd2g2h_bcd:Ba-Co-O-Sr,20.0,AB4C12D3_oP20_25_a_ef_abcd2g2h_bcd:Ba-Co-O-Sr +mp-1227932,BaNd3(CoO3)4,-7.5706208515,-2.3697732039,0.0387014898,0.0387014898,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Ba-Co-Nd-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Ba-Co-Nd-O, expected BaNd3(Co2O5)4 to be BaNd3(CoO3)4" +mp-1228268,BaNd4(CoO3)5,-7.5730544484,-2.3437150759,0.0884151858,0.0884151858,GGA+U,C2/c,AB5C4D15_mC100_15_e_a2f_2f_e7f:Ba-Co-Nd-O,50.0,"Invalid WP multiplicities - AB5C4D15_mC100_15_e_2a7f_4f_2e27f:Ba-Co-Nd-O, expected BaNd8(Co2O7)8 to be BaNd4(CoO3)5" +mp-2236112,BaNd(CoO3)2,-7.236151753,-2.17776273,0.1124341235,0.1124341235,GGA+U,Pmmm,AB2CD6_oP10_47_g_i_h_abjk:Ba-Co-Nd-O,10.0,"Invalid WP multiplicities - AB2CD6_oP10_47_g_i_h_ab2j2k:Ba-Co-Nd-O, expected BaNd(CoO5)2 to be BaNd(CoO3)2" +mp-1228658,Ba3Nd3Co6O17,-7.3238836167,-2.2616428588,0.0688183484,0.0688183484,GGA+U,P-1,A3B6C3D17_aP58_2_3i_6i_3i_abeh15i:Ba-Co-Nd-O,58.0,"Invalid WP multiplicities - A3B6C3D17_aP58_2_5i_12i_6i_abeh28i:Ba-Co-Nd-O, expected Ba5Nd6(Co2O5)6 to be Ba3Nd3Co6O17" +mp-1228468,Ba3Nd3Co6O17,-7.3304022586,-2.2681615007,0.0622997065,0.0622997065,GGA+U,C2/m,A3B6C3D17_mC58_12_bi_3i_ci_a2i3j:Ba-Co-Nd-O,29.0,"Invalid WP multiplicities - A3B6C3D17_mC58_12_bi_6i_c2i_a2i12j:Ba-Co-Nd-O, expected Ba3Nd5Co12O53 to be Ba3Nd3Co6O17" +mp-1205807,BaSr(CoO3)2,-6.76537172,-2.0148480949,0.0250146957,0.0250146957,GGA+U,P-6m2,AB2C6D_hP10_187_a_i_jk_d:Ba-Co-O-Sr,10.0,AB2C6D_hP10_187_a_i_jk_d:Ba-Co-O-Sr +mp-1217996,TaCu3Se3S,-5.629699175,-0.7822514325000001,0.0,-0.0007035513,GGA,R3m,A3BC3D_hR24_160_b_a_b_a:Cu-S-Se-Ta,8.0,A3BC3D_hR24_160_b_a_b_a:Cu-S-Se-Ta +mp-1217991,TaCu3(TeSe)2,-5.2906765362,-0.6114474885,0.0017474919,0.0017474919,GGA,Cmm2,A3B2CD2_oC16_35_ac_d_a_e:Cu-Se-Ta-Te,8.0,A3B2CD2_oC16_35_ac_d_a_e:Cu-Se-Ta-Te +mp-1218006,TaCu3TeSe2S,-5.5165580112,-0.7131859668,0.0004724566,0.0004724566,GGA,Cm,A3BC2DE_mC16_8_ab_a_b_a_a:Cu-S-Se-Ta-Te,8.0,A3BC2DE_mC16_8_ab_a_b_a_a:Cu-S-Se-Ta-Te +mp-1218032,TaCu3(SeS)2,-5.7398757113,-0.8123606701,0.0,-0.0009760846,GGA,Cmm2,A3B2C2D_oC16_35_ac_d_e_a:Cu-S-Se-Ta,8.0,A3B2C2D_oC16_35_ac_d_e_a:Cu-S-Se-Ta +mp-1096018,BaLi2Sn,-1.2818281575,1.1547699746,1.6066370873,1.6066370873,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Li-Sn,4.0,AB2C_oI8_71_a_e_b:Ba-Li-Sn +mp-1093592,Li2SnBi,-1.8890284775,1.0279482021,1.3985018887,1.3985018887,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Li-Sn,4.0,AB2C_oI8_71_a_e_b:Bi-Li-Sn +mp-30254,Ba3(LiSn2)4,-3.5502894347,-0.5190100262,0.0,-0.0151554638,GGA,C2/m,A3B4C8_mC30_12_ai_hi_2ij:Ba-Li-Sn,15.0,"Invalid WP multiplicities - A3B4C8_mC30_12_a2i_hi_2i2j:Ba-Li-Sn, expected Ba5(LiSn3)4 to be Ba3(LiSn2)4" +mp-1517901,BaLiSnBiO6,-6.079967423,-1.9441583171,0.1729431799,0.1729431799,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Li-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Li-O-Sn +mp-1517551,Sr2CrInO6,-6.917155575,-2.3707705376,0.1660701489,0.1660701489,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-In-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-In-O-Sr +mp-1516271,SrNbCrInO6,-7.942132488,-2.5545662919,0.1861820098,0.1861820098,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-In-Nb-O-Sr,,ABCD6E_cF40_216_a_c_b_f_d:Cr-In-Nb-O-Sr +mp-1219904,Pr3DyFe34,-8.0355555974,0.0415555933,0.0488525014,0.0488525014,GGA,Cm,AB34C3_mC76_8_a_10a12b_3a:Dy-Fe-Pr,38.0,"Invalid WP multiplicities - AB34C3_mC76_8_a_10a23b_3a:Dy-Fe-Pr, expected Pr3DyFe56 to be Pr3DyFe34" +mp-1214367,BaTbFe4O7,-7.9401662227,-2.1663010797,0.0801538919,0.0801538919,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Fe-O-Tb,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Fe-O-Tb +mp-1227304,BaTbFe2O5,-7.9144659767,-2.5559296415,0.0302139689,0.0302139689,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Fe-O-Tb,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Fe-O-Tb +mp-1517069,BaTbNdFeO6,-7.762501456,-2.815337261,0.2018485365,0.2018485365,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Nd-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Nd-O-Tb +mp-1190091,EuFe4(CuO4)3,-7.349073041,-1.5593244818,0.0328942549,0.0328942549,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Eu-Fe-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Eu-Fe-O +mp-1228144,BaEuFeCuO5,-7.7602414922,-2.2626139171,0.0,-0.0010578015,GGA+U,P4mm,ABCDE5_tP9_99_b_a_b_a_a2c:Ba-Cu-Eu-Fe-O,9.0,ABCDE5_tP9_99_b_a_b_a_a2c:Ba-Cu-Eu-Fe-O +mp-616616,Sr15Fe10(Bi5O23)2,-6.8854604906,-2.243544615,0.0169970561,0.0169970561,GGA+U,C222,A10B10C46D15_oC324_21_5l_5l_2e3fk20l_k7l:Bi-Fe-O-Sr,162.0,"Invalid WP multiplicities - A10B10C46D15_oC324_21_16l_17l_4e6f2k77l_2k27l:Bi-Fe-O-Sr, expected Sr28Fe17Bi16O83 to be Sr15Fe10(Bi5O23)2" +mp-1218304,SrFe5Bi4O15,-7.0735542136,-1.7294787459,0.0775168126,0.0775168126,GGA+U,P1,A4B5C15D_aP25_1_4a_5a_15a_a:Bi-Fe-O-Sr,25.0,A4B5C15D_aP25_1_4a_5a_15a_a:Bi-Fe-O-Sr +mp-1218774,Sr4Fe4Bi5PbO18,-6.6396995162,-1.8711511358,0.1813774357,0.1813774357,GGA+U,Amm2,A5B4C18DE4_oC64_38_2a3b_2a2b_5a5b2f_a_2a2b:Bi-Fe-O-Pb-Sr,32.0,A5B4C18DE4_oC64_38_2a3b_2a2b_5a5b2f_a_2a2b:Bi-Fe-O-Pb-Sr +mp-1218295,SrFe3Bi2O9,-7.0471518207,-1.7604362377,0.127835229,0.127835229,GGA+U,P-3m1,A2B3C9D_hP15_164_d_bd_ei_a:Bi-Fe-O-Sr,15.0,"Invalid WP multiplicities - A2B3C9D_hP15_164_d_bd_3e4i_a:Bi-Fe-O-Sr, expected SrFe3Bi2O33 to be SrFe3Bi2O9" +mp-1218820,Sr4Fe6Bi7PbO24,-6.7041619026,-1.7780975902,0.1889776715,0.1889776715,GGA+U,Amm2,A7B6C24DE4_oC84_38_3a4b_3a3b_6a6b3f_a_2a2b:Bi-Fe-O-Pb-Sr,42.0,A7B6C24DE4_oC84_38_3a4b_3a3b_6a6b3f_a_2a2b:Bi-Fe-O-Pb-Sr +mp-1208668,SrFeBi2O5,-6.4944911028,-1.7640537162,0.2191161261,0.2191161261,GGA+U,P4/mmm,A2BC5D_tP18_123_cdg_g_abghi_h:Bi-Fe-O-Sr,18.0,A2BC5D_tP18_123_cdg_g_abghi_h:Bi-Fe-O-Sr +mp-1205525,Sr2FeBiO6,-6.755814448,-2.2188514966,0.0301351423,0.0301351423,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Fe-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Fe-O-Sr +mp-1218840,Sr2FeBiPbO6,-6.57447085,-2.112445706,0.0935212068,0.0935212068,GGA+U,I4mm,ABC6DE2_tI22_107_a_a_4ab_a_2a:Bi-Fe-O-Pb-Sr,11.0,ABC6DE2_tI22_107_a_a_4ab_a_2a:Bi-Fe-O-Pb-Sr +mp-1173875,NaCa2La7Mn10O30,-8.3706700565,-2.7725382756,0.1871831652,0.1871831652,GGA+U,P1,A2B7C10DE30_aP100_1_4a_14a_20a_2a_60a:Ca-La-Mn-Na-O,100.0,A2B7C10DE30_aP100_1_4a_14a_20a_2a_60a:Ca-La-Mn-Na-O +mp-866061,CaSmZn2,-2.6169409725,-0.3060226638,0.0,-0.0132664563,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Sm-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Sm-Zn +mp-1517111,CaSm(FeO3)4,-7.1982238133,-1.6446385139,0.228057081,0.228057081,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Fe-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Fe-O-Sm, expected CaSm(FeO4)4 to be CaSm(FeO3)4" +mp-1516183,NdEuZrTiO6,-9.58146451,-3.4666170953,0.161819239,0.161819239,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Nd-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Nd-O-Ti-Zr +mp-1520462,Eu2ZrTiO6,-10.207813664,-3.5440808126,0.0622610167,0.0622610167,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ti-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Ti-Zr +mp-1220211,Nd4Zr3TiO14,-9.3420210677,-3.8027108134,0.0153802652,0.0153802652,GGA,R-3m,A4B14CD3_hR66_166_ad_c2h_b_e:Nd-O-Ti-Zr,22.0,"Invalid WP multiplicities - A4B14CD3_hR66_166_ad_c9h_b_e:Nd-O-Ti-Zr, expected Nd4Zr3TiO56 to be Nd4Zr3TiO14" +mp-8961,Ba3NaTaO6,-7.5010312836,-3.0812712826,0.0,-0.0629914451,GGA,R-3c,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Ta,22.0,A3BC6D_hR66_167_e_a_f_b:Ba-Na-O-Ta +mp-1214895,Ba6Na2Ta2Mn2O17,-7.6519254022,-2.8142635346,0.0,-0.0187498888,GGA+U,P6_3/mmc,A6B2C2D17E2_hP58_194_ab2f_f_e_fh2k_f:Ba-Mn-Na-O-Ta,58.0,A6B2C2D17E2_hP58_194_ab2f_f_e_fh2k_f:Ba-Mn-Na-O-Ta +mp-1214505,Ba3Ta2MnO9,-8.819092332,-3.2754460804,0.0,-0.0554769838,GGA+U,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Mn-O-Ta,60.0,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Mn-O-Ta +mp-1307944,Ba2TaMnO6,-8.5253729185,-3.0715854115,0.0057696177,0.0057696177,GGA+U,C2/c,A2BC6D_mC40_15_f_c_3f_e:Ba-Mn-O-Ta,40.0,"Invalid WP multiplicities - A2BC6D_mC40_15_f_c_13f_e:Ba-Mn-O-Ta, expected Ba2TaMnO26 to be Ba2TaMnO6" +mp-1291775,Ba2TaMnO6,-8.52630191,-3.072514403,0.0048406262,0.0048406262,GGA+U,Pnma,A2BC6D_oP40_62_d_c_4cd_c:Ba-Mn-O-Ta,40.0,"Invalid WP multiplicities - A2BC6D_oP40_62_d_c_14cd_c:Ba-Mn-O-Ta, expected Ba2TaMnO16 to be Ba2TaMnO6" +mp-1309882,Ba2TaMnO6,-8.5268908955,-3.0731033885,0.0042516407,0.0042516407,GGA+U,I4/mmm,A2BC6D_tI20_139_d_a_eh_b:Ba-Mn-O-Ta,40.0,A2BC6D_tI20_139_d_a_eh_b:Ba-Mn-O-Ta +mp-1228319,Ba2TaMnO6,-8.50451834,-3.050730833,0.0266241962,0.0266241962,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Ta +mp-1521174,NdDy(NiO3)4,-6.3604060572,-1.2573090835,0.3837551632,0.3837551632,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Dy-Nd-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Dy-Nd-Ni-O, expected NdDy(Ni2O9)2 to be NdDy(NiO3)4" +mp-1521167,Sr2NbSnO6,-7.527864795,-2.8108651881,0.1586138733,0.1586138733,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sn-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sn-Sr +mp-1518938,SrNbFeSnO6,-7.845057654,-2.4500052714,0.1470775555,0.1470775555,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Fe-Nb-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Fe-Nb-O-Sn-Sr +mp-1517097,Ca2FeBiO6,-6.708135263,-2.1079510262,0.144137749,0.144137749,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Fe-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Fe-O +mp-1044379,CaFeBiO5,-6.8314668431,-1.9502726211,0.0084919692,0.0084919692,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Fe-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Fe-O, expected CaFeBiO15 to be CaFeBiO5" +mp-1042711,CaFeBiO5,-6.6901656531,-1.8089714311,0.1497931592,0.1497931592,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Fe-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Fe-O, expected CaFeBiO31 to be CaFeBiO5" +mp-1227229,CaFe2BiO6,-7.106670359,-1.8600439892,0.1313309472,0.1313309472,GGA+U,I4mm,ABC2D6_tI20_107_a_a_b_bc:Bi-Ca-Fe-O,10.0,ABC2D6_tI20_107_a_a_b_bc:Bi-Ca-Fe-O +mp-1519427,BaCaFeBiO6,-6.745223061,-2.1537013183,0.094611981,0.094611981,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Fe-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Fe-O +mp-1228156,Ba2(AlAg)5,-3.3402796525,-0.2795622319,0.0,-0.0798799268,GGA,Amm2,A5B5C2_oC24_38_ade_bf_ab:Ag-Al-Ba,12.0,"Invalid WP multiplicities - A5B5C2_oC24_38_a2de_bf_ab:Ag-Al-Ba, expected Ba2Al5Ag7 to be Ba2(AlAg)5" +mp-1042222,Ba2AlAg3O8,-5.3741174593,-1.3987815014,0.3523136331,0.3523136331,GGA,P4/mmm,A3BC2D8_tP14_123_bg_c_h_egi:Ag-Al-Ba-O,14.0,"Invalid WP multiplicities - A3BC2D8_tP14_123_b2g_c_h_2e2g2i:Ag-Al-Ba-O, expected Ba2AlAg5O16 to be Ba2AlAg3O8" +mp-1096847,BaCu2(AgO2)2,-5.0725495267,-1.1204100676,0.1341640697,0.1341640697,GGA,P4/nbm,A2BC2D4_tP18_125_e_b_h_m:Ag-Ba-Cu-O,18.0,A2BC2D4_tP18_125_e_b_h_m:Ag-Ba-Cu-O +mp-1045607,AlCu3(AgO3)4,-4.916305824,-0.5796216046,0.3659177371,0.3659177371,GGA,Im-3,A4BC3D12_cI40_204_c_a_b_g:Ag-Al-Cu-O,20.0,A4BC3D12_cI40_204_c_a_b_g:Ag-Al-Cu-O +mp-1268088,BaAlCuAgO5,-5.9497903456,-1.8020395678,0.2494928551,0.2494928551,GGA,P1,ABCDE5_aP9_1_a_a_a_a_5a:Ag-Al-Ba-Cu-O,9.0,ABCDE5_aP9_1_a_a_a_a_5a:Ag-Al-Ba-Cu-O +mp-1042181,BaAlCuAgO5,-5.7327091067,-1.5849583289,0.466574094,0.466574094,GGA,P4mm,ABCDE5_tP9_99_a_b_b_a_a2c:Ag-Al-Ba-Cu-O,9.0,ABCDE5_tP9_99_a_b_b_a_a2c:Ag-Al-Ba-Cu-O +mp-1516857,Ca2NiBiO6,-6.189171018,-1.8579752342,0.1925574822,0.1925574822,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Ni-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Ca-Ni-O +mp-1044575,CaNiBiO5,-6.2057153828,-1.660756727,0.0665668903,0.0665668903,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Ni-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Ni-O, expected CaNiBiO15 to be CaNiBiO5" +mp-1042779,CaNiBiO5,-6.0689010441,-1.5239423883,0.2033812291,0.2033812291,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Ni-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Ni-O, expected CaNiBiO31 to be CaNiBiO5" +mp-23143,Ca2Cu(ClO)2,-5.5079263929,-2.4078039396,0.0191531283,0.0191531283,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_c:Ca-Cl-Cu-O,7.0,A2B2CD2_tI14_139_e_e_a_c:Ca-Cl-Cu-O +mp-1214003,Ca4Sm2Cu3(ClO2)4,-6.2725276238,-2.6189634271,0.0119961597,0.0119961597,GGA,I4/mmm,A4B4C3D8E2_tI42_139_2e_2e_ae_cdg_e:Ca-Cl-Cu-O-Sm,21.0,A4B4C3D8E2_tI42_139_2e_2e_ae_cdg_e:Ca-Cl-Cu-O-Sm +mp-620364,CaSmCuClO3,-6.6485898179,-2.7183047495,0.0146560969,0.0146560969,GGA,P4/nmm,ABCD3E_tP14_129_c_c_c_af_c:Ca-Cl-Cu-O-Sm,14.0,"Invalid WP multiplicities - ABCD3E_tP14_129_c_c_c_2a2f_c:Ca-Cl-Cu-O-Sm, expected CaSmCuClO6 to be CaSmCuClO3" +mp-23095,Ca3Cu2(ClO2)2,-5.7409542991,-2.3137687405,0.0099752332,0.0099752332,GGA,I4/mmm,A3B2C2D4_tI22_139_ae_e_e_g:Ca-Cl-Cu-O,11.0,A3B2C2D4_tI22_139_ae_e_e_g:Ca-Cl-Cu-O +mp-1517448,BaSrTbSeO6,-6.798933951,-2.6570461272,0.1814052648,0.1814052648,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Se-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Se-Sr-Tb +mp-1523293,Ba2SrSeO6,-6.367159934,-2.4968112262,0.0,-0.0221910472,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Se-Sr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Se-Sr +mp-1227548,Ca2La3Cu4AgO12,-6.6958058345,-2.268130003,0.1104089519,0.1104089519,GGA,Amm2,AB2C4D3E12_oC44_38_a_ab_2a2b_a2b_2a2b2f:Ag-Ca-Cu-La-O,22.0,AB2C4D3E12_oC44_38_a_ab_2a2b_a2b_2a2b2f:Ag-Ca-Cu-La-O +mp-862795,CaLaAg2,-3.476035785,-0.3243560371,0.0,-0.0286774675,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ca-La,4.0,A2BC_cF16_225_c_a_b:Ag-Ca-La +mp-1227346,Ca2CuAg,-2.9605013925,-0.2247607842,0.0156885675,0.0156885675,GGA,Amm2,AB2C_oC8_38_a_ab_b:Ag-Ca-Cu,4.0,AB2C_oC8_38_a_ab_b:Ag-Ca-Cu +mp-1517564,BaCaCeZrO6,-8.3909948215,-3.5824451342,0.0776455355,0.0776455355,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Ce-O-Zr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Ce-O-Zr, expected BaCaCeZrO12 to be BaCaCeZrO6" +mp-1517492,BaCaCeZrO6,-8.393645736,-3.5850960488,0.074994621,0.074994621,GGA,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Ce-O-Zr,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Ce-O-Zr +mp-1517628,BaCaCeZrO6,-8.283218906,-3.4746692188,0.185421451,0.185421451,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Zr +mp-1523340,BaCaZr4O12,-8.4932711089,-3.0779576714,0.2243284208,0.2243284208,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ba-Ca-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ba-Ca-O-Zr, expected BaCaZr4O18 to be BaCaZr4O12" +mp-1523158,BaCaZr2O6,-8.686255558,-3.6162447233,0.0391906722,0.0391906722,GGA,Imm2,ABC6D2_oI20_44_a_b_abe_c:Ba-Ca-O-Zr,10.0,ABC6D2_oI20_44_a_b_abe_c:Ba-Ca-O-Zr +mp-1523321,BaCaZr2O6,-8.648629853,-3.5786190182,0.0768163773,0.0768163773,GGA,Cmmm,ABC6D2_oC20_65_a_b_ehj_f:Ba-Ca-O-Zr,10.0,ABC6D2_oC20_65_a_b_ehj_f:Ba-Ca-O-Zr +mp-1523234,BaCaZr2O6,-8.629198287,-3.5591874522,0.0962479433,0.0962479433,GGA,P4/mmm,ABC6D2_tP10_123_c_d_abi_g:Ba-Ca-O-Zr,10.0,"Invalid WP multiplicities - ABC6D2_tP10_123_c_d_ab2i_g:Ba-Ca-O-Zr, expected BaCaZr2O10 to be BaCaZr2O6" +mp-1228386,Ba2CeZrO6,-8.383761071,-3.5838738778,0.031778431,0.031778431,GGA,P4/mmm,A2BC6D_tP10_123_e_a_bdj_c:Ba-Ce-O-Zr,10.0,A2BC6D_tP10_123_e_a_bdj_c:Ba-Ce-O-Zr +mp-1228396,Ba2CeZrO6,-8.381394318,-3.5815071247,0.034145184,0.034145184,GGA,P4/mmm,A2BC6D_tP10_123_h_a_efg_b:Ba-Ce-O-Zr,10.0,"Invalid WP multiplicities - A2BC6D_tP10_123_h_a_2e2fg_b:Ba-Ce-O-Zr, expected Ba2CeZrO10 to be Ba2CeZrO6" +mp-1519368,Ba2CeZrO6,-8.39657936,-3.5966921667,0.018960142,0.018960142,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Zr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Zr +mp-1519247,Ba2CeZrO6,-8.391131402,-3.5912442088,0.0244081,0.0244081,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Zr +mp-1228741,Ba5Ce4ZrO15,-8.234258042,-3.5912475373,0.0098367496,0.0098367496,GGA,P-1,A5B4C15D_aP50_2_5i_be3i_15i_i:Ba-Ce-O-Zr,50.0,"Invalid WP multiplicities - A5B4C15D_aP50_2_10i_be5i_30i_i:Ba-Ce-O-Zr, expected Ba10Ce6ZrO30 to be Ba5Ce4ZrO15" +mp-1228442,Ba5Ce4ZrO15,-8.235602071,-3.5925915663,0.0084927206,0.0084927206,GGA,C2/m,A5B4C15D_mC100_12_5i_ac3i_5i5j_i:Ba-Ce-O-Zr,50.0,"Invalid WP multiplicities - A5B4C15D_mC100_12_10i_ac5i_10i20j_i:Ba-Ce-O-Zr, expected Ba10Ce6ZrO50 to be Ba5Ce4ZrO15" +mp-1228097,Ba5Ce4ZrO15,-8.20647083,-3.5634603253,0.0376239616,0.0376239616,GGA,Cmmm,A5B4C15D_oC50_65_a2g_2h_bf2g2q_c:Ba-Ce-O-Zr,25.0,"Invalid WP multiplicities - A5B4C15D_oC50_65_a4g_3h_bf4g6q_c:Ba-Ce-O-Zr, expected Ba9Ce6ZrO35 to be Ba5Ce4ZrO15" +mp-1228100,Ba4CaZr5O15,-8.666303106400001,-3.6014897681,0.0446437973,0.0446437973,GGA,Cmmm,A4BC15D5_oC50_65_2g_a_bf2g2q_c2h:Ba-Ca-O-Zr,25.0,"Invalid WP multiplicities - A4BC15D5_oC50_65_3g_a_b2f4g6q_c4h:Ba-Ca-O-Zr, expected Ba6CaZr9O37 to be Ba4CaZr5O15" +mp-1228072,Ba4CaZr5O15,-8.67003886,-3.6052255217,0.0409080437,0.0409080437,GGA,P4/m,A4BC15D5_tP25_83_j_c_afj2k_bk:Ba-Ca-O-Zr,25.0,"Invalid WP multiplicities - A4BC15D5_tP25_83_j_c_a2fj6k_bk:Ba-Ca-O-Zr, expected Ba4CaZr5O33 to be Ba4CaZr5O15" +mp-1228424,Ba4CaZr5O15,-8.6832087318,-3.6183953935,0.0277381719,0.0277381719,GGA,I-42m,A4BC15D5_tI100_121_ab3e_e_c2h5i_d2h:Ba-Ca-O-Zr,50.0,"Invalid WP multiplicities - A4BC15D5_tI100_121_ab5e_e_2c6h20i_2d5h:Ba-Ca-O-Zr, expected Ba6CaZr12O54 to be Ba4CaZr5O15" +mp-1228173,Ba4CaZr5O15,-8.6717129944,-3.606899656,0.0392339093,0.0392339093,GGA,P4/mmm,A4BC15D5_tP25_123_2h_c_ae2g2i_b2g:Ba-Ca-O-Zr,25.0,"Invalid WP multiplicities - A4BC15D5_tP25_123_3h_c_a2e3g6i_b3g:Ba-Ca-O-Zr, expected Ba6CaZr7O35 to be Ba4CaZr5O15" +mp-1519851,SrCaSmNbO6,-8.1766584542,-3.3571467767,0.0918539252,0.0918539252,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ca-Nb-O-Sm-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ca-Nb-O-Sm-Sr +mp-1519990,SrCaSmNbO6,-8.070841319,-3.2513296414,0.1976710605,0.1976710605,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Nb-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Nb-O-Sm-Sr +mp-1522152,BaEuHfSnO6,-8.755916731,-3.1736297418,0.0267590854,0.0267590854,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Hf-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Hf-O-Sn +mp-1518088,BaHf4SnO12,-9.0022490822,-3.1623842239,0.251410991,0.251410991,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ba-Hf-O-Sn,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ba-Hf-O-Sn, expected BaHf4SnO18 to be BaHf4SnO12" +mp-1518427,BaEu(SnO3)4,-6.7202301972,-1.8549786031,0.3848375605,0.3848375605,GGA,Cmmm,ABC12D4_oC36_65_a_c_efno_m:Ba-Eu-O-Sn,18.0,"Invalid WP multiplicities - ABC12D4_oC36_65_a_c_2e2fno_m:Ba-Eu-O-Sn, expected BaEu(SnO4)4 to be BaEu(SnO3)4" +mp-1520944,SrCaLaNbO6,-8.101143794,-3.2598900194,0.1959660662,0.1959660662,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-La-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-La-Nb-O-Sr +mp-1210067,Nd3Cu3Bi4,-4.787804447,-0.5914025642,0.0,-0.01132609,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Cu-Nd,20.0,A4B3C3_cI40_220_c_a_b:Bi-Cu-Nd +mp-1189755,Nd5CuBi3,-5.1012148656,-0.7166136186000001,0.0048004753,0.0048004753,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Nd,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-Nd +mp-1218159,SrNd2(CuO3)2,-7.0418978327,-2.5778674758,0.0702536336,0.0702536336,GGA,I4mm,A2B2C6D_tI22_107_2a_2a_2a2b_a:Cu-Nd-O-Sr,11.0,A2B2C6D_tI22_107_2a_2a_2a2b_a:Cu-Nd-O-Sr +mp-1218190,SrNd2(CuO3)2,-7.0538324827,-2.5898021258,0.0583189836,0.0583189836,GGA,I4/mmm,A2B2C6D_tI22_139_e_e_eg_a:Cu-Nd-O-Sr,11.0,A2B2C6D_tI22_139_e_e_eg_a:Cu-Nd-O-Sr +mp-1208768,Sr2NdCu2(BiO4)2,-6.373597696,-2.1335953207,0.1094789483,0.1094789483,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Nd-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Nd-O-Sr +mp-1516510,NaEu(GeO3)4,-6.7149453678,-1.7465063095,0.3032035378,0.3032035378,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Ge-Na-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Ge-Na-O, expected NaEu(Ge2O9)2 to be NaEu(GeO3)4" +mp-1019727,NaEuGeO4,-7.6969210696,-2.5555910992,0.0,-0.0211232371,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Eu-Ge-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Eu-Ge-Na-O +mp-1519036,Sr2DySbO6,-7.241819586,-3.0623288606,0.0,-0.029899253,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Dy-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Dy-O-Sb-Sr +mp-1518907,BaSrDySbO6,-7.2897115655,-3.0872726914,0.0,-0.009017752,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Dy-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Dy-O-Sb-Sr, expected BaSrDySbO12 to be BaSrDySbO6" +mp-1518893,BaSrDySbO6,-7.2895665357,-3.0871276617,0.0001450297,-0.0088727222,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Dy-O-Sb-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Dy-O-Sb-Sr +mp-1519060,BaSrDySbO6,-7.277603712,-3.0751648379,0.0121078535,0.0030901015,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Sb-Sr +mp-1519487,NaHfNbSnO6,-8.335798946,-2.8287265974,0.1266805377,0.1266805377,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Sn,10.0,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Sn +mp-1026901,Mg14NbCu,-2.1994734119,0.0883036137,0.1229906258,0.1229906258,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Nb, expected Mg18NbCu to be Mg14NbCu" +mp-1026869,Mg14NbCu,-2.2066703469,0.0811066787,0.1157936908,0.1157936908,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Nb, expected Mg26NbCu to be Mg14NbCu" +mp-2223679,MgNbCu3S4,-5.1522900767,-0.6472895692,0.3367493802,0.3367493802,GGA,P-42m,A3BCD4_tP9_111_af_b_c_n:Cu-Mg-Nb-S,9.0,A3BCD4_tP9_111_af_b_c_n:Cu-Mg-Nb-S +mp-2222826,MgNbCu3S4,-5.1690220567,-0.6640215492,0.3200174002,0.3200174002,GGA,R3m,A3BCD4_hR27_160_b_a_a_ab:Cu-Mg-Nb-S,9.0,"Invalid WP multiplicities - A3BCD4_hR27_160_b_a_a_a2b:Cu-Mg-Nb-S, expected MgNbCu3S7 to be MgNbCu3S4" +mp-2226170,MgNbCu3S4,-5.1565705344,-0.6515700269,0.3324689224,0.3324689224,GGA,P-43m,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Nb-S,9.0,A3BCD4_cP9_215_c_a_b_e:Cu-Mg-Nb-S +mp-1221395,Na(NbS2)2,-6.8524116714000005,-1.4137066942,0.0416982343,0.0416982343,GGA,P3m1,AB2C4_hP7_156_a_ab_4c:Na-Nb-S,7.0,AB2C4_hP7_156_a_ab_4c:Na-Nb-S +mp-7937,NaNbS2,-6.3831596988,-1.458977182,0.0,-0.0496557076,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Na-Nb-S,8.0,ABC2_hP8_194_a_b_f:Na-Nb-S +mp-1022069,Mg6NbCu,-2.7876933406,0.1875806606,0.2403926145,0.2403926145,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Nb, expected Mg12NbCu to be Mg6NbCu" +mp-1022078,Mg6NbCu,-2.8047063269,0.1705676744,0.2233796282,0.2233796282,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Nb, expected Mg12NbCu to be Mg6NbCu" +mp-554071,Na8Nb2Cu4S21,-4.7752394804,-0.9453798715,0.0035704275,0.0035704275,GGA,P2_12_12,A4B8C2D21_oP70_18_2c_ab3c_c_a10c:Cu-Na-Nb-S,70.0,"Invalid WP multiplicities - A4B8C2D21_oP70_18_4c_2a2b12c_c_2a40c:Cu-Na-Nb-S, expected Na14NbCu4S41 to be Na8Nb2Cu4S21" +mp-1210002,NaNbS6,-5.5411721938,-1.0108560019,0.0,-0.0627900298,GGA,Cc,ABC6_mC32_9_a_a_6a:Na-Nb-S,16.0,ABC6_mC32_9_a_a_6a:Na-Nb-S +mp-1198746,NaNbS6,-5.2918739669,-0.761557775,0.2492982269,0.1865081971,GGA,C2/c,ABC6_mC64_15_f_f_6f:Na-Nb-S,32.0,ABC6_mC64_15_f_f_6f:Na-Nb-S +mp-1196173,Na3NbS4,-5.176423397,-1.3495883486,0.0,-0.0659976505,GGA,Fdd2,A3BC4_oF256_43_2a5b_2b_8b:Na-Nb-S,64.0,A3BC4_oF256_43_2a5b_2b_8b:Na-Nb-S +mp-2229629,Na2MgNb2(CuS2)4,-5.2341886682,-0.8849906487,0.2091274014,0.2091274014,GGA,C2,A4BC2D2E8_mC34_5_abc_a_c_c_4c:Cu-Mg-Na-Nb-S,17.0,A4BC2D2E8_mC34_5_abc_a_c_c_4c:Cu-Mg-Na-Nb-S +mp-2229035,Na2MgNb2(CuS2)4,-5.2248597988,-0.8756617793,0.2184562708,0.2184562708,GGA,Pm,A4BC2D2E8_mP17_6_abc_a_ab_ab_2a2b2c:Cu-Mg-Na-Nb-S,17.0,"Invalid WP multiplicities - A4BC2D2E8_mP17_6_abc_a_ab_ab_2a2b4c:Cu-Mg-Na-Nb-S, expected Na2MgNb2(CuS3)4 to be Na2MgNb2(CuS2)4" +mp-1221421,Na(Nb3S4)2,-7.6947900713,-1.3599931068,0.0015055244,0.0015055244,GGA,P-3,AB6C8_hP15_147_a_g_dg:Na-Nb-S,15.0,AB6C8_hP15_147_a_g_dg:Na-Nb-S +mp-1221460,Na2(NbS2)3,-6.7359833268,-1.4843774261,0.0,-0.0542087364,GGA,R32,A2B3C6_hR66_155_2c_ace_2f:Na-Nb-S,22.0,"Invalid WP multiplicities - A2B3C6_hR66_155_3c_ace_2f:Na-Nb-S, expected NaNbS2 to be Na2(NbS2)3" +mp-1017347,NaMg6Nb,-2.454474505,0.1737143242,0.1916649436,0.1916649436,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Nb,8.0,A6BC_tP8_123_ej_b_d:Mg-Na-Nb +mp-1099340,NaMg6Nb,-2.3606869088,0.2675019204,0.2854525399,0.2854525399,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Nb,8.0,A6BC_oC16_38_abde_a_b:Mg-Na-Nb +mp-1026671,NaMg14Nb,-1.9867720788,0.1274623608,0.1484047502,0.1484047502,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Nb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Nb, expected NaMg18Nb to be NaMg14Nb" +mp-1026670,NaMg14Nb,-2.0093584813,0.1048759583,0.1258183477,0.1258183477,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Nb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Nb, expected NaMg26Nb to be NaMg14Nb" +mp-6181,NaNb(CuS2)2,-5.5209238669000005,-0.9999184743,0.015425668,0.015425668,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Cu-Na-Nb-S,16.0,"Invalid WP multiplicities - A2BCD4_oC32_40_ab_b_b_2b2c:Cu-Na-Nb-S, expected NaNb(CuS3)2 to be NaNb(CuS2)2" +mp-1189564,NaNb(CuS2)2,-5.5046711288,-0.9836657361,0.0316784061,0.0316784061,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Cu-Na-Nb-S,16.0,A2BCD4_oC32_40_ab_b_b_2bc:Cu-Na-Nb-S +mp-1079551,BaGdCo2O5,-8.4507447922,-2.3457252004,0.0722721226,0.0722721226,GGA+U,Pmmm,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-Gd-O,9.0,AB2CD5_oP9_47_a_l_b_gjk:Ba-Co-Gd-O +mp-1080062,BaGdCo2O5,-8.4459094422,-2.3408898504,0.0771074726,0.0771074726,GGA+U,P4/mmm,AB2CD5_tP9_123_a_h_b_ci:Ba-Co-Gd-O,9.0,AB2CD5_tP9_123_a_h_b_ci:Ba-Co-Gd-O +mp-1214665,BaGd(CoO3)2,-8.156296814,-2.1671103102,0.1426964437,0.1426964437,GGA+U,P4/mmm,AB2CD6_tP10_123_c_g_d_abi:Ba-Co-Gd-O,10.0,"Invalid WP multiplicities - AB2CD6_tP10_123_c_g_d_ab2i:Ba-Co-Gd-O, expected BaGd(CoO5)2 to be BaGd(CoO3)2" +mp-1218287,SrGd(CoO3)2,-7.810217129,-1.8439787739,0.4682838493,0.4682838493,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Co-Gd-O-Sr,10.0,A2BC6D_cF40_225_c_a_d_b:Co-Gd-O-Sr +mp-1229271,Ba4Sr2Gd2Co4O15,-7.8381062502,-2.5847457689,0.0,-0.0070494091,GGA+U,P1,A4B4C2D15E2_aP54_1_8a_8a_4a_30a_4a:Ba-Co-Gd-O-Sr,54.0,A4B4C2D15E2_aP54_1_8a_8a_4a_30a_4a:Ba-Co-Gd-O-Sr +mp-1218280,SrGdCoO4,-8.7924968364,-2.6981127888,0.0725512761,0.0725512761,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Co-Gd-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Co-Gd-O-Sr, expected SrGdCoO6 to be SrGdCoO4" +mp-1218232,SrGdCoO4,-8.8200940457,-2.7257099981,0.0449540668,0.0449540668,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Co-Gd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Co-Gd-O-Sr +mp-505313,BaGd2CoO5,-9.9690211111,-3.0898010254,0.0007154728,0.0007154728,GGA+U,Immm,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Gd-O,9.0,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Gd-O +mp-1189405,Ba2Gd2Co4O11,-8.3163017032,-2.2722468945,0.1044559789,0.1044559789,GGA+U,Pmmm,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Gd-O,19.0,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Gd-O +mp-573240,SrGd2Co2O7,-9.196994765,-2.6398952232,0.0616775611,0.0616775611,GGA+U,P4_2/mnm,A2B2C7D_tP48_136_j_j_2efhj_g:Co-Gd-O-Sr,48.0,"Invalid WP multiplicities - A2B2C7D_tP48_136_j_j_6e4f6h6j_g:Co-Gd-O-Sr, expected SrGd2(CoO17)2 to be SrGd2Co2O7" +mp-2240190,Ba2YbMgNbO6,-7.1225704536,-2.8717272248,0.3153031856,0.3153031856,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nb-O-Yb,,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Nb-O-Yb, expected Ba2YbMgNbO12 to be Ba2YbMgNbO6" +mp-2224207,Ba2YbMgNbO6,-7.1190872891,-2.8682440602,0.3187863502,0.3187863502,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Yb,,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Mg-Nb-O-Yb, expected Ba2YbMgNbO12 to be Ba2YbMgNbO6" +mp-2240727,Ba2YbMgNbO6,-7.1444426491,-2.8935994202,0.2934309902,0.2934309902,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Yb,,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Mg-Nb-O-Yb, expected Ba2YbMgNbO12 to be Ba2YbMgNbO6" +mp-2218460,Yb2MgNb2O8,-8.2809863408,-3.3228620038,0.0,-0.058041395,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Yb,,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Yb +mp-19751,Ba2YbNbO6,-7.676843037,-3.1609434903,0.01028204,0.01028204,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Yb,,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Yb +mp-1521852,BaSrSmCrO6,-7.574580117,-2.8085566904,0.1773436672,0.1773436672,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Cr-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Cr-O-Sm-Sr +mp-1523051,Ba2SmCrO6,-7.617815816,-2.8288442408,0.1324327469,0.1324327469,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Cr-O-Sm,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Cr-O-Sm +mp-1523013,Ba2SmCrO6,-7.616323849,-2.8273522738,0.1339247139,0.1339247139,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Cr-O-Sm +mp-1520355,BaSmCr4O12,-7.8783024933,-2.0666349661,0.3556280869,0.3556280869,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Cr-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Cr-O-Sm, expected BaSmCr4O16 to be BaSmCr4O12" +mp-554375,DyMn4(CuO4)3,-7.491804281,-1.8461676533,0.0419969304,0.0419969304,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Dy-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Dy-Mn-O +mp-1096557,NaMg2In,-0.7198890675,1.0988032134,1.1847993281,1.1847993281,GGA,Immm,AB2C_oI8_71_a_e_b:In-Mg-Na,4.0,AB2C_oI8_71_a_e_b:In-Mg-Na +mp-1221585,Na2In2Mo5O16,-7.6607254676,-1.9997779485,0.0557741474,0.0557741474,GGA+U,P3m1,A2B5C2D16_hP25_156_2b_acd_ab_2a2c4d:In-Mo-Na-O,25.0,A2B5C2D16_hP25_156_2b_acd_ab_2a2c4d:In-Mo-Na-O +mp-651301,NaIn(MoO4)2,-7.4862616031,-2.0413433587,0.0048580649,0.0048580649,GGA+U,P-1,AB2CD8_aP48_2_2i_4i_2i_16i:In-Mo-Na-O,48.0,"Invalid WP multiplicities - AB2CD8_aP48_2_2i_5i_2i_32i:In-Mo-Na-O, expected Na2In2Mo5O32 to be NaIn(MoO4)2" +mp-1221106,NaMg3In(MoO4)5,-7.6674576253,-2.2662218271,0.0062315974,0.0062315974,GGA+U,P1,AB3C5DE20_aP60_1_2a_6a_10a_2a_40a:In-Mg-Mo-Na-O,60.0,AB3C5DE20_aP60_1_2a_6a_10a_2a_40a:In-Mg-Mo-Na-O +mp-1093814,NaMgIn2,-0.9924471125,1.1140960884,1.2115693725,1.2115693725,GGA,Immm,A2BC_oI8_71_e_a_b:In-Mg-Na,4.0,A2BC_oI8_71_e_a_b:In-Mg-Na +mp-1324064,Ba2Mg2Tl2Cr3O10,-6.8843982063,-2.1375652697,0.2906097982,0.2906097982,GGA+U,P1,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Cr-Mg-O-Tl,19.0,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Cr-Mg-O-Tl +mp-1046536,Ba2Tl2Cr3O10,-6.8816644812,-1.764648852,0.417978553,0.417978553,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Cr-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Cr-O-Tl +mp-1517545,SmEuHf4O12,-9.8529614972,-3.5104832422,0.1764311638,0.1764311638,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Eu-Hf-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Eu-Hf-O-Sm, expected SmEuHf4O18 to be SmEuHf4O12" +mp-1517665,SmEuHf2O6,-10.094794613,-3.6377847868,0.116379466,0.116379466,GGA,Cmmm,AB2C6D_oC20_65_a_f_ehj_b:Eu-Hf-O-Sm,10.0,AB2C6D_oC20_65_a_f_ehj_b:Eu-Hf-O-Sm +mp-1219972,PrGaSi,-5.0847016233,-0.6732616875,0.0,-0.0487335058,GGA,I4_1md,ABC_tI12_109_a_a_a:Ga-Pr-Si,6.0,ABC_tI12_109_a_a_a:Ga-Pr-Si +mp-1522066,Sr2TbFeO6,-7.296872271,-2.6805216226,0.0830017274,0.0830017274,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Tb +mp-540740,SrTb2Fe2O7,-8.1101146854,-2.8996905977000003,0.0141544092,0.0141544092,GGA+U,P4_2/mnm,A2B7CD2_tP48_136_j_2efhj_g_j:Fe-O-Sr-Tb,48.0,A2B7CD2_tP48_136_j_2efhj_g_j:Fe-O-Sr-Tb +mp-1521849,BaSmMn4O12,-7.5771333233,-1.8745840579,0.2897576665,0.2897576665,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Mn-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Mn-O-Sm, expected BaSmMn4O16 to be BaSmMn4O12" +mp-1521735,NaSmMn4O12,-7.3353183378,-1.6659051638,0.3005730321,0.3005730321,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Mn-Na-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Mn-Na-O-Sm, expected NaSmMn4O16 to be NaSmMn4O12" +mp-1519192,Ba2SmMnO6,-7.524447792,-2.7845794345,0.0453015181,0.0453015181,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Sm +mp-19471,Ba5Sm8Mn4O21,-8.1580391663,-3.2140368536,0.0,-0.0121922176,GGA+U,I4/m,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Mn-O-Sm,38.0,"Invalid WP multiplicities - A5B4C21D8_tI76_87_ah_h_b2h2i_2h:Ba-Mn-O-Sm, expected Ba5Sm8Mn4O25 to be Ba5Sm8Mn4O21" +mp-1517761,BaNaSmMnO6,-7.021289334,-2.3410659412,0.1562005464,0.1562005464,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Na-O-Sm,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Na-O-Sm +mp-549776,BaPrMn2O5,-8.2754468844,-2.7468519027,0.0,-0.0291478409,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Pr,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Pr +mp-1518813,BaNaPrMnO6,-6.9659472548,-2.2794918999,0.1860606335,0.1860606335,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Mn-Na-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Mn-Na-O-Pr, expected BaNa2PrMnO12 to be BaNaPrMnO6" +mp-556632,Ba4PrMn3O12,-7.5910389945,-2.6258831982,0.0232875124,0.0232875124,GGA+U,R-3m,A4B3C12D_hR60_166_2c_ac_2h_b:Ba-Mn-O-Pr,20.0,"Invalid WP multiplicities - A4B3C12D_hR60_166_4c_ac_8h_b:Ba-Mn-O-Pr, expected Ba8PrMn3O48 to be Ba4PrMn3O12" +mp-1227914,BaPr2Mn3O9,-8.3277352393,-2.7619331908,0.0306224297,0.0306224297,GGA+U,C2/m,AB3C9D2_mC60_12_i_ac2i_3i3j_2i:Ba-Mn-O-Pr,30.0,"Invalid WP multiplicities - AB3C9D2_mC60_12_i_ad2i_5i9j_3i:Ba-Mn-O-Pr, expected BaPr3Mn3O23 to be BaPr2Mn3O9" +mp-19274,BaPrMn2O6,-8.160046614,-2.6896422593,0.025544925,0.025544925,GGA+U,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:Ba-Mn-O-Pr,10.0,"Invalid WP multiplicities - AB2C6D_tP10_123_c_g_ab2i_d:Ba-Mn-O-Pr, expected BaPrMn2O10 to be BaPrMn2O6" +mp-1221074,NaCaSb2O7,-6.3391183441,-2.1379411957,0.0967035187,0.0967035187,GGA,Imma,ABC7D2_oI44_74_a_c_3ej_bd:Ca-Na-O-Sb,22.0,"Invalid WP multiplicities - ABC7D2_oI44_74_a_c_5e4j_bd:Ca-Na-O-Sb, expected NaCaSb2O21 to be NaCaSb2O7" +mp-1516329,NaCaZrSbO6,-7.350542081,-2.7820461499,0.0841405733,0.0841405733,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sb-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sb-Zr +mp-1523256,NdEu(FeO3)4,-7.6749956789,-1.6602457563000002,0.2651810985,0.2651810985,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Eu-Fe-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Eu-Fe-Nd-O, expected NdEu(FeO4)4 to be NdEu(FeO3)4" +mp-705604,BaLaFe2Cu2O11,-6.52099106,-1.4382255524,0.2965717924,0.2965717924,GGA+U,Pmm2,AB2C2DE11_oP17_25_a_bc_bc_d_2bc2i:Ba-Cu-Fe-La-O,17.0,"Invalid WP multiplicities - AB2C2DE11_oP17_25_a_bc_bc_d_2bc4i:Ba-Cu-Fe-La-O, expected BaLaFe2Cu2O19 to be BaLaFe2Cu2O11" +mp-706229,Ba2La2Fe2Cu2O11,-7.2195050492,-2.3109789611,0.1037196591,0.1037196591,GGA+U,P4mm,A2B2C2D2E11_tP38_99_2c_2a2b_2a2b_2c_3a3b4d:Ba-Cu-Fe-La-O,38.0,"Invalid WP multiplicities - A2B2C2D2E11_tP38_99_4c_2a2b_2a2b_4c_3a3b8d:Ba-Cu-Fe-La-O, expected Ba4La4Fe2Cu2O19 to be Ba2La2Fe2Cu2O11" +mp-1228576,Ba2La2Fe2Cu2O11,-7.2142515795,-2.3057254914,0.1089731288,0.1089731288,GGA+U,P4mm,A2B2C2D2E11_tP19_99_c_ab_ab_c_2ab2d:Ba-Cu-Fe-La-O,19.0,"Invalid WP multiplicities - A2B2C2D2E11_tP19_99_c_ab_ab_c_2ab7d:Ba-Cu-Fe-La-O, expected Ba2La2Fe2Cu2O31 to be Ba2La2Fe2Cu2O11" +mp-1105546,LaFe4(CuO4)3,-7.2058948385,-1.682196014,0.0,-0.0082090843,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-La-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-La-O +mp-1227839,BaLaFeO4,-7.8437835143,-2.8278180714000003,0.0500398351,0.0500398351,GGA+U,I4mm,ABCD4_tI14_107_a_a_a_2ab:Ba-Fe-La-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Ba-Fe-La-O +mp-1228690,Ba6La2Fe4O15,-7.497218047,-2.7021706634,0.0,-0.0306650636,GGA+U,Cc,A6B4C2D15_mC108_9_6a_4a_2a_15a:Ba-Fe-La-O,54.0,"Invalid WP multiplicities - A6B4C2D15_mC108_9_9a_7a_4a_30a:Ba-Fe-La-O, expected Ba9La4Fe7O30 to be Ba6La2Fe4O15" +mp-1272303,BaLa(FeO3)2,-7.802499575,-2.4549839018,0.0473829417,0.0473829417,GGA+U,I-4m2,AB2CD6_tI20_119_c_ab_d_eg:Ba-Fe-La-O,20.0,"Invalid WP multiplicities - AB2CD6_tI20_119_c_2a2b_d_e2g:Ba-Fe-La-O, expected BaLa(Fe2O5)2 to be BaLa(FeO3)2" +mp-1227910,BaLa(FeO3)2,-7.8076507,-2.4601350268,0.0422318167,0.0422318167,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ba-Fe-La-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ba-Fe-La-O +mp-1227917,BaLa2Fe2O7,-8.1326651033,-2.8528440576,0.0149435463,0.0149435463,GGA+U,I4/mmm,AB2C2D7_tI24_139_a_e_e_beg:Ba-Fe-La-O,12.0,AB2C2D7_tI24_139_a_e_e_beg:Ba-Fe-La-O +mp-1228521,Ba2La(FeO3)3,-7.62327201,-2.3763240756,0.0089353222,0.0089353222,GGA+U,P-3m1,A2B3CD9_hP15_164_d_bd_a_ei:Ba-Fe-La-O,15.0,"Invalid WP multiplicities - A2B3CD9_hP15_164_d_bd_a_3e4i:Ba-Fe-La-O, expected Ba2La(FeO11)3 to be Ba2La(FeO3)3" +mp-1516721,CaZn(GeO3)4,-6.2174005944,-1.7108606253,0.3193534458,0.3193534458,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Ge-O-Zn,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Ge-O-Zn, expected CaZn(Ge2O9)2 to be CaZn(GeO3)4" +mp-16263,CaZnGe,-3.1597419833,-0.5302848683,0.0,-0.0647842473,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Ge-Zn,6.0,ABC_hP6_194_a_c_d:Ca-Ge-Zn +mp-1227800,Ca3Si2GeO9,-7.6091389543,-3.2084281573,0.0076851599,0.0076851599,GGA,P-1,A3BC9D2_aP30_2_3i_i_9i_2i:Ca-Ge-O-Si,30.0,A3BC9D2_aP30_2_3i_i_9i_2i:Ca-Ge-O-Si +mp-1227935,Ca20Si3Ge9O44,-7.1980157422,-3.0447327728,0.0207825742,0.0207825742,GGA,P1,A20B9C44D3_aP76_1_20a_9a_44a_3a:Ca-Ge-O-Si,76.0,A20B9C44D3_aP76_1_20a_9a_44a_3a:Ca-Ge-O-Si +mp-1019566,Ca3ZnGe5O14,-6.8178154122,-2.4854099999,0.022993577,0.022993577,GGA,C2,A3B5C14D_mC46_5_ac_b2c_7c_a:Ca-Ge-O-Zn,23.0,A3B5C14D_mC46_5_ac_b2c_7c_a:Ca-Ge-O-Zn +mp-1096151,Ca2ZnGe,-1.2271832775,1.2463095288,1.7615767796,1.7615767796,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Ge-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Ge-Zn +mp-1227205,Ca8Zn4Si3Ge5O28,-6.9457561442,-2.80029467,0.010941179,0.010941179,GGA,P1,A8B5C28D3E4_aP48_1_8a_5a_28a_3a_4a:Ca-Ge-O-Si-Zn,48.0,A8B5C28D3E4_aP48_1_8a_5a_28a_3a_4a:Ca-Ge-O-Si-Zn +mp-18596,Ca2ZnGe2O7,-6.6616723183,-2.5663539801,0.026740621,0.026740621,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Ca-Ge-O-Zn,24.0,"Invalid WP multiplicities - A2B2C7D_tP24_113_e_e_c2ef_a:Ca-Ge-O-Zn, expected Ca2ZnGe2O9 to be Ca2ZnGe2O7" +mp-13911,Ca(ZnGe)2,-3.078949066,-0.324720504,0.0022888276,0.0022888276,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-Ge-Zn,5.0,AB2C2_tI10_139_a_e_d:Ca-Ge-Zn +mp-1021415,LaMg6Sn,-2.4132312025,-0.094823795,0.1195394024,0.1195394024,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Sn, expected LaMg12Sn to be LaMg6Sn" +mp-1021411,LaMg6Sn,-2.3967418356,-0.0783344281,0.1360287693,0.1360287693,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Sn, expected LaMg12Sn to be LaMg6Sn" +mp-1032691,Mg6FeSnO8,-6.3138021994,-2.4603782584,0.2357951612,0.2357951612,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Sn, expected Mg6FeSnO12 to be Mg6FeSnO8" +mp-1032824,Mg6FeSnO8,-6.3186929756,-2.4652690347,0.230904385,0.230904385,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Sn, expected Mg6FeSnO12 to be Mg6FeSnO8" +mp-1211868,La2MgSnO6,-7.742344456,-3.2261446177,0.0133359518,0.0133359518,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mg-O-Sn,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Mg-O-Sn +mp-1444903,La2MgSnO6,-7.722506188,-3.2063063497,0.0331742198,0.0331742198,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Sn,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Sn +mp-1517671,LaMgFeSnO6,-7.178252899,-2.3086516503,0.3946936017,0.3946936017,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-La-Mg-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-La-Mg-O-Sn +mp-1036012,Mg14FeSnO16,-6.3193615819,-2.7559074211,0.1191994384,0.1191994384,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Sn, expected Mg18FeSnO20 to be Mg14FeSnO16" +mp-1035892,Mg14FeSnO16,-6.3178800934,-2.7544259327,0.1206809269,0.1206809269,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Sn, expected Mg30FeSnO32 to be Mg14FeSnO16" +mp-1036955,Mg30FeSnO32,-6.3285602736,-2.9100910029,0.0544825766,0.0544825766,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Sn, expected Mg90FeSnO80 to be Mg30FeSnO32" +mp-1036954,Mg30FeSnO32,-6.3102243695,-2.8917550988,0.0728184806,0.0728184806,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Sn, expected Mg110FeSnO72 to be Mg30FeSnO32" +mp-1028317,LaMg14Sn,-2.0084760312,-0.0491323025,0.0711088018,0.0711088018,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Sn, expected LaMg18Sn to be LaMg14Sn" +mp-1028306,LaMg14Sn,-1.9683555994,-0.0090118706,0.1112292337,0.1112292337,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Sn, expected LaMg26Sn to be LaMg14Sn" +mp-1227753,Ca4CrFe3O10,-7.6620989431,-2.520299069,0.0314036806,0.0314036806,GGA+U,P2_1/c,A4BC3D10_mP36_14_2e_a_de_5e:Ca-Cr-Fe-O,36.0,"Invalid WP multiplicities - A4BC3D10_mP36_14_4e_a_de_9e:Ca-Cr-Fe-O, expected Ca8Cr(FeO6)3 to be Ca4CrFe3O10" +mp-1214173,Ca2CrFeO5,-7.8185143075,-2.6109907524,0.035517669,0.035517669,GGA+U,Pnma,A2BCD5_oP36_62_d_a_c_c2d:Ca-Cr-Fe-O,36.0,A2BCD5_oP36_62_d_a_c_c2d:Ca-Cr-Fe-O +mp-1357678,Ca3Cr6(FeO6)4,-7.8520016186,-1.9996854465,0.1437488207,0.1437488207,GGA+U,P-1,A3B6C4D24_aP37_2_ai_3i_2i_12i:Ca-Cr-Fe-O,37.0,"Invalid WP multiplicities - A3B6C4D24_aP37_2_ai_5i_2i_13i:Ca-Cr-Fe-O, expected Ca3Cr10(Fe2O13)2 to be Ca3Cr6(FeO6)4" +mp-1103130,SrAl9Ni2,-4.2642868625,-0.3509577556,0.0109693956,0.0109693956,GGA,P6/mmm,A9B2C_hP12_191_fm_c_a:Al-Ni-Sr,12.0,A9B2C_hP12_191_fm_c_a:Al-Ni-Sr +mp-1046382,Sr2AlCu3O7,-6.1989583354,-2.0413426642,0.1026521946,0.1026521946,GGA,Cc,AB3C7D2_mC52_9_a_3a_7a_2a:Al-Cu-O-Sr,26.0,AB3C7D2_oI52_46_a_bc_b3c_c:Al-Cu-O-Sr +mp-1251156,Sr2AlCu3O7,-6.1970280596,-2.0394123884,0.1045824704,0.1045824704,GGA,Ima2,AB3C7D2_oI52_46_a_bc_b3c_c:Al-Cu-O-Sr,26.0,AB3C7D2_oI52_46_a_bc_b3c_c:Al-Cu-O-Sr +mp-1218506,Sr4Cu3NiO8,-6.0627818069,-2.0372042948,0.0688385034,0.0688385034,GGA+U,Amm2,A3BC8D4_oC32_38_ac_b_2a2b2c_abc:Cu-Ni-O-Sr,16.0,A3BC8D4_oC32_38_ac_b_2a2b2c_abc:Cu-Ni-O-Sr +mp-1044112,Sr2Cu2NiO7,-5.8441807867,-1.5121509612,0.1496807894,0.1496807894,GGA+U,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Cu-Ni-O-Sr,24.0,A2BC7D2_oI48_46_c_b_b3c_c:Cu-Ni-O-Sr +mp-1043524,Sr2AlCu2NiO7,-6.3318276492,-2.0449096696,0.1414375519,0.1414375519,GGA+U,Ima2,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Ni-O-Sr,26.0,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Ni-O-Sr +mp-1214645,Ba4Ti6Si4O25,-8.45553967,-3.316633471,0.0589061686,0.0589061686,GGA,P2/c,A4B25C4D6_mP78_13_2g_e12g_2fg_ef2g:Ba-O-Si-Ti,78.0,A4B25C4D6_mP78_13_2g_e12g_2fg_ef2g:Ba-O-Si-Ti +mp-1198599,BaTi(SiO3)3,-8.4289255702,-3.3853098954,0.0008008205,-0.0102682606,GGA,P31c,AB9C3D_hP84_159_a2b_9c_3c_c:Ba-O-Si-Ti,84.0,AB9C3D_hP84_159_a2b_9c_3c_c:Ba-O-Si-Ti +mp-6661,BaTi(SiO3)3,-8.4297263907,-3.3861107159,0.0,-0.0110690811,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:Ba-O-Si-Ti,28.0,"Invalid WP multiplicities - AB9C3D_hP28_188_a_2k3l_k_c:Ba-O-Si-Ti, expected BaTi(SiO8)3 to be BaTi(SiO3)3" +mp-1228423,Ba8Ti3Co(SiO4)8,-8.0520016812,-3.2857867511,0.0146877331,0.0146877331,GGA+U,P4,A8BC32D8E3_tP52_75_2d_a_abc7d_2d_bc:Ba-Co-O-Si-Ti,52.0,"Invalid WP multiplicities - A8BC32D8E3_tP52_75_7d_a_abc24d_7d_bc:Ba-Co-O-Si-Ti, expected Ba28Ti3Co(Si7O25)4 to be Ba8Ti3Co(SiO4)8" +mp-6081,Ba2Ti(SiO4)2,-8.2257622769,-3.444409381,0.0,-0.0121136784,GGA,P4bm,A2B8C2D_tP26_100_c_abcd_c_a:Ba-O-Si-Ti,26.0,A2B8C2D_tP26_100_c_abcd_c_a:Ba-O-Si-Ti +mp-2226819,MgTi3Zn2O8,-7.4786632129,-2.6658237121,0.3002083333,0.3002083333,GGA,C2/m,AB8C3D2_mC28_12_a_2ij_de_i:Mg-O-Ti-Zn,14.0,"Invalid WP multiplicities - AB8C3D2_mC28_12_a_3i3j_c2e_i:Mg-O-Ti-Zn, expected MgTi5Zn2O18 to be MgTi3Zn2O8" +mp-2227072,MgTi3Zn2O8,-7.5080283986,-2.6951888979,0.2708431476,0.2708431476,GGA,R-3m,AB8C3D2_hR42_166_a_ch_e_c:Mg-O-Ti-Zn,14.0,"Invalid WP multiplicities - AB8C3D2_hR42_166_a_c2h_e_c:Mg-O-Ti-Zn, expected MgTi3Zn2O14 to be MgTi3Zn2O8" +mp-2224234,MgTi3Zn2O8,-7.71740096,-2.9045614593,0.0614705861,0.0614705861,GGA,R-3m,AB8C3D2_hR42_166_a_ch_d_c:Mg-O-Ti-Zn,14.0,"Invalid WP multiplicities - AB8C3D2_hR42_166_a_c2h_d_c:Mg-O-Ti-Zn, expected MgTi3Zn2O14 to be MgTi3Zn2O8" +mp-1032012,Mg6TiZnO8,-6.4111100625,-2.7654584615,0.1976193783,0.1976193783,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Ti-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Ti-Zn, expected Mg6TiZnO12 to be Mg6TiZnO8" +mp-1032015,Mg6TiZnO8,-6.4104004069,-2.7647488058,0.1983290339,0.1983290339,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Ti-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Ti-Zn, expected Mg6TiZnO12 to be Mg6TiZnO8" +mp-1043778,TiZnBiO5,-6.9523374719,-2.2361914328,0.0811743339,0.0811743339,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-Ti-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-Ti-Zn, expected TiZnBiO15 to be TiZnBiO5" +mp-1042447,TiZnBiO5,-6.9560145822,-2.2398685431,0.0774972235,0.0774972235,GGA,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-Ti-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-Ti-Zn, expected TiZnBiO31 to be TiZnBiO5" +mp-2229330,MgTi4Zn2O10,-7.8399750282,-2.8300560606,0.2311448067,0.2311448067,GGA,Pm,AB10C4D2_mP17_6_a_5a5b_2a2b_ab:Mg-O-Ti-Zn,17.0,AB10C4D2_mP17_6_a_5a5b_2a2b_ab:Mg-O-Ti-Zn +mp-2229243,MgTi4Zn2O10,-7.8086628706,-2.798743903,0.2624569643,0.2624569643,GGA,Pmm2,AB10C4D2_oP17_25_a_bc2e2f_ef_ad:Mg-O-Ti-Zn,17.0,"Invalid WP multiplicities - AB10C4D2_oP17_25_a_bc4e3f_2ef_ad:Mg-O-Ti-Zn, expected MgTi6Zn2O16 to be MgTi4Zn2O10" +mp-2229884,MgTi4Zn2O10,-7.7213458565,-2.7114268889,0.3497739785,0.3497739785,GGA,Pmm2,AB10C4D2_oP17_25_a_ad2e2f_ef_bc:Mg-O-Ti-Zn,17.0,"Invalid WP multiplicities - AB10C4D2_oP17_25_a_ad3e4f_e2f_bc:Mg-O-Ti-Zn, expected MgTi6Zn2O16 to be MgTi4Zn2O10" +mp-2229552,MgTi4Zn2O10,-7.7795662424,-2.7696472748,0.2915535926,0.2915535926,GGA,Amm2,AB10C4D2_oC34_38_a_ab4c_2c_ab:Mg-O-Ti-Zn,17.0,"Invalid WP multiplicities - AB10C4D2_oC34_38_a_ab7c_3c_ab:Mg-O-Ti-Zn, expected MgTi6Zn2O16 to be MgTi4Zn2O10" +mp-1043725,MgTiBiO5,-7.3509043819,-2.5921912878,0.0689294631,0.0689294631,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-Ti,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-Ti, expected MgTiBiO15 to be MgTiBiO5" +mp-1042391,MgTiBiO5,-7.2948743856,-2.5361612915,0.1249594594,0.1249594594,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-Ti,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-Ti, expected MgTiBiO31 to be MgTiBiO5" +mp-1034061,Mg14TiBiO16,-6.2616152669,-2.7213989785,0.287160091,0.287160091,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Ti, expected Mg18TiBiO20 to be Mg14TiBiO16" +mp-1034059,Mg14TiBiO16,-6.2622898925,-2.7220736042,0.2864854654,0.2864854654,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Ti, expected Mg30TiBiO32 to be Mg14TiBiO16" +mp-1084840,TiZn(BiO3)2,-6.873106937,-2.2214723216,0.0447047055,0.0447047055,GGA,Cm,A2B6CD_mC20_8_2a_2a2b_a_a:Bi-O-Ti-Zn,10.0,A2B6CD_mC20_8_2a_2a2b_a_a:Bi-O-Ti-Zn +mp-1101073,TiZn(BiO3)2,-6.860427834,-2.2087932186,0.0573838085,0.0573838085,GGA,Amm2,A2B6CD_oC20_38_c_cde_a_b:Bi-O-Ti-Zn,10.0,A2B6CD_oC20_38_c_cde_a_b:Bi-O-Ti-Zn +mp-550469,TiZn(BiO3)2,-6.845626218,-2.1939916026,0.0721854245,0.0721854245,GGA,P4mm,A2B6CD_tP10_99_2b_2a2c_a_a:Bi-O-Ti-Zn,10.0,"Invalid WP multiplicities - A2B6CD_tP10_99_2b_2a4c_a_a:Bi-O-Ti-Zn, expected TiZn(BiO5)2 to be TiZn(BiO3)2" +mp-550998,TiZn(BiO3)2,-6.854858353,-2.2032237376,0.0629532895,0.0629532895,GGA,P4mm,A2B6CD_tP10_99_c_abd_a_b:Bi-O-Ti-Zn,10.0,"Invalid WP multiplicities - A2B6CD_tP10_99_c_ab2d_a_b:Bi-O-Ti-Zn, expected TiZn(BiO5)2 to be TiZn(BiO3)2" +mp-557950,TiZn(BiO3)2,-6.860302966,-2.2086683506,0.0575086765,0.0575086765,GGA,I4mm,A2B6CD_tI20_107_b_2ac_a_a:Bi-O-Ti-Zn,10.0,A2B6CD_tI20_107_b_2ac_a_a:Bi-O-Ti-Zn +mp-1084749,TiZn(BiO3)2,-6.627638669,-1.9760040536,0.2901729735,0.2901729735,GGA,P4/mmm,A2B6CD_tP10_123_h_efg_a_b:Bi-O-Ti-Zn,10.0,A2B6CD_tP10_123_h_efg_a_b:Bi-O-Ti-Zn +mp-1037362,Mg30TiZnO32,-6.3436979322,-2.9771717465,0.054127938,0.054127938,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Ti-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Ti-Zn, expected Mg110TiZnO72 to be Mg30TiZnO32" +mp-1037342,Mg30TiZnO32,-6.342854535,-2.9763283493,0.0549713352,0.0549713352,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Ti-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Ti-Zn, expected Mg90TiZnO80 to be Mg30TiZnO32" +mp-1222010,MgTi(BiO3)2,-7.193755273,-2.5080670136,0.0106110215,0.0106110215,GGA,R3,A2BC6D_hR30_146_2a_a_2b_a:Bi-Mg-O-Ti,10.0,A2BC6D_hR30_146_2a_a_2b_a:Bi-Mg-O-Ti +mp-1031345,Mg6TiBiO8,-6.219011895,-2.412063699,0.5510141408,0.5510141408,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Ti, expected Mg6TiBiO12 to be Mg6TiBiO8" +mp-1031351,Mg6TiBiO8,-6.2436087419,-2.4366605458,0.5264172939,0.5264172939,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Ti, expected Mg6TiBiO12 to be Mg6TiBiO8" +mp-2228634,MgTi2Zn4O8,-6.3991119473,-2.2655287331,0.278879014,0.278879014,GGA,C2/m,AB8C2D4_mC30_12_b_2ij_e_aci:Mg-O-Ti-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_mC30_12_b_3i2j_e_ac2i:Mg-O-Ti-Zn, expected MgTi2Zn6O14 to be MgTi2Zn4O8" +mp-2228669,MgTi2Zn4O8,-6.383633504,-2.2500502898,0.2943574573,0.2943574573,GGA,C2/m,AB8C2D4_mC30_12_b_2ij_ac_ei:Mg-O-Ti-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_mC30_12_a_4ij_bc_f2i:Mg-O-Ti-Zn, expected MgTi2Zn6O12 to be MgTi2Zn4O8" +mp-2228625,MgTi2Zn4O8,-6.1914786847,-2.0578954704,0.4865122767,0.4865122767,GGA,Imm2,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-Ti-Zn,15.0,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-Ti-Zn +mp-2232327,MgTi2Zn4O8,-6.3670794287,-2.2334962144,0.3109115327,0.3109115327,GGA,Imm2,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-Ti-Zn,15.0,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-Ti-Zn +mp-1034899,Mg14TiZnO16,-6.3642659759,-2.9046979851,0.1038610845,0.1038610845,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Ti-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Ti-Zn, expected Mg18TiZnO20 to be Mg14TiZnO16" +mp-1034882,Mg14TiZnO16,-6.3655277034,-2.9059597126,0.102599357,0.102599357,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Ti-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Ti-Zn, expected Mg30TiZnO32 to be Mg14TiZnO16" +mp-2230142,MgTi3(BiO3)4,-7.375157352,-2.3747084942,0.2337545651,0.2337545651,GGA,C2/m,A4BC12D3_mC40_12_2i_a_eh2ij_bi:Bi-Mg-O-Ti,20.0,"Invalid WP multiplicities - A4BC12D3_mC40_12_2i_a_f2h4i2j_bi:Bi-Mg-O-Ti, expected MgTi3(Bi2O11)2 to be MgTi3(BiO3)4" +mp-2229201,MgTi4Bi2O11,-8.1419275056,-2.8487718278000003,0.1593383289,0.1593383289,GGA,Cm,A2BC11D4_mC36_8_2a_a_11a_4a:Bi-Mg-O-Ti,18.0,A2BC11D4_mC36_8_2a_a_11a_4a:Bi-Mg-O-Ti +mp-2228403,MgTi4Bi2O11,-8.0818591078,-2.78870343,0.2194067267,0.2194067267,GGA,Cm,A2BC11D4_mC36_8_2a_a_11a_4a:Bi-Mg-O-Ti,18.0,A2BC11D4_mC36_8_2a_a_11a_4a:Bi-Mg-O-Ti +mp-2228437,MgTi4Bi2O11,-8.095347515,-2.8021918372,0.2059183194,0.2059183194,GGA,C2/m,A2BC11D4_mC36_12_i_a_d5i_2i:Bi-Mg-O-Ti,18.0,A2BC11D4_mC36_12_i_a_d5i_2i:Bi-Mg-O-Ti +mp-2229277,MgTi4Bi2O11,-8.0975449539,-2.8043892761,0.2037208806,0.2037208806,GGA,C2/m,A2BC11D4_mC36_12_i_a_b5i_2i:Bi-Mg-O-Ti,18.0,A2BC11D4_mC36_12_i_a_b5i_2i:Bi-Mg-O-Ti +mp-2229590,MgTi2(Bi2O5)2,-7.1049346206,-2.2684576961,0.1722972529,0.1722972529,GGA,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Bi-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Bi-Mg-O-Ti +mp-2228939,MgTi2(Bi2O5)2,-7.0099316224,-2.1734546979,0.2673002511,0.2673002511,GGA,Amm2,A4BC10D2_oC34_38_2c_a_ab4c_ab:Bi-Mg-O-Ti,17.0,A4BC10D2_oC34_38_2c_a_ab4c_ab:Bi-Mg-O-Ti +mp-2217642,MgTi2Zn2O6,-7.0791014827,-2.5708393399,0.2473402209,0.2473402209,GGA,P1,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Ti-Zn,11.0,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Ti-Zn +mp-2227761,MgTi2Zn2O6,-7.0629648473,-2.5547027045,0.2634768564,0.2634768564,GGA,P1,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Ti-Zn,11.0,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Ti-Zn +mp-2217725,MgTi2Zn2O6,-6.9875532536,-2.4792911108,0.33888845,0.33888845,GGA,P-1,AB6C2D2_aP11_2_a_3i_i_i:Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - AB6C2D2_aP11_2_a_6i_i_i:Mg-O-Ti-Zn, expected MgTi2Zn2O12 to be MgTi2Zn2O6" +mp-2217864,MgTi2Zn2O6,-7.0495211227,-2.5412589799000003,0.2769205809,0.2769205809,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Zn,11.0,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Zn +mp-2218034,MgTi2Zn2O6,-7.1141513282,-2.6058891854,0.2122903755,0.2122903755,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Zn,11.0,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Zn +mp-2217676,MgTi2Zn2O6,-7.0961030336,-2.5878408908,0.23033867,0.23033867,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Zn,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Zn +mp-2224461,MgTi2Zn2O6,-7.0407975118,-2.532535369,0.2856441918,0.2856441918,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Zn,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Zn +mp-1027959,Mg14TiZn,-1.9327061412,0.0397411292,0.0865067049,0.0865067049,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ti-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ti-Zn, expected Mg18TiZn to be Mg14TiZn" +mp-1027951,Mg14TiZn,-1.9343172637,0.0381300067,0.0848955824,0.0848955824,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ti-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ti-Zn, expected Mg26TiZn to be Mg14TiZn" +mp-2217310,MgTiZn(BiO3)2,-6.5312527982,-2.1570140523,0.2063682113,0.2063682113,GGA,P1,A2BC6DE_aP11_1_2a_a_6a_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_aP11_1_2a_a_6a_a_a:Bi-Mg-O-Ti-Zn +mp-2217305,MgTiZn(BiO3)2,-6.5235895255,-2.1493507796,0.214031484,0.214031484,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn +mp-2217631,MgTiZn(BiO3)2,-6.3798730173,-2.0056342714,0.3577479922,0.3577479922,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn +mp-2217816,MgTiZn(BiO3)2,-6.3900964691,-2.0158577233,0.3475245404,0.3475245404,GGA,Cm,A2BC6DE_mC22_8_b_a_4ab_a_a:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_b_a_4a2b_a_a:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO4)2 to be MgTiZn(BiO3)2" +mp-2217372,MgTiZn(BiO3)2,-6.3868985327,-2.0126597869,0.3507224767,0.3507224767,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Bi-Mg-O-Ti-Zn +mp-2217724,MgTiZn(BiO3)2,-6.3716218991,-1.9973831533,0.3659991104,0.3659991104,GGA,Pmm2,A2BC6DE_oP11_25_2d_b_2a2b2c_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_oP11_25_2d_b_2a2b2c_a_a:Bi-Mg-O-Ti-Zn +mp-2217628,MgTiZn(BiO3)2,-6.4477590564,-2.0735203105,0.2898619531,0.2898619531,GGA,Pmm2,A2BC6DE_oP11_25_ad_a_bci_b_c:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_oP11_25_ad_a_bc2i_b_c:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO5)2 to be MgTiZn(BiO3)2" +mp-2218101,MgTiZn(BiO3)2,-6.39131506,-2.0170763142,0.3463059495,0.3463059495,GGA,Pmm2,A2BC6DE_oP11_25_2d_b_2a2b2c_a_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_oP11_25_2d_b_2a2b2c_a_a:Bi-Mg-O-Ti-Zn +mp-2217709,MgTiZn(BiO3)2,-6.36696673,-1.9927279842,0.3706542795,0.3706542795,GGA,Amm2,A2BC6DE_oC22_38_c_a_cde_a_b:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_oC22_38_c_a_cde_a_b:Bi-Mg-O-Ti-Zn +mp-2217364,MgTiZn(BiO3)2,-6.3778721945,-2.0036334487,0.3597488149,0.3597488149,GGA,Amm2,A2BC6DE_oC22_38_c_a_cde_b_a:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_oC22_38_c_a_cde_b_a:Bi-Mg-O-Ti-Zn +mp-2227212,MgTiZn(BiO3)2,-6.4496237245,-2.0753849787,0.2879972849,0.2879972849,GGA,Amm2,A2BC6DE_oC22_38_c_a_cde_a_b:Bi-Mg-O-Ti-Zn,11.0,A2BC6DE_oC22_38_c_a_cde_a_b:Bi-Mg-O-Ti-Zn +mp-2217326,MgTiZn(BiO3)2,-6.3481481936,-1.9739094478,0.3894728158,0.3894728158,GGA,P4mm,A2BC6DE_tP11_99_2b_b_2a2c_a_a:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_tP11_99_2b_b_2a4c_a_a:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO5)2 to be MgTiZn(BiO3)2" +mp-2217316,MgTiZn(BiO3)2,-6.3908451127,-2.0166063669,0.3467758967,0.3467758967,GGA,P4mm,A2BC6DE_tP11_99_c_a_abd_b_a:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_tP11_99_c_a_ab2d_b_a:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO5)2 to be MgTiZn(BiO3)2" +mp-2217689,MgTiZn(BiO3)2,-6.5148375809,-2.1405988351,0.2227834286,0.2227834286,GGA,P4mm,A2BC6DE_tP11_99_2b_b_2a2c_a_a:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_tP11_99_2b_b_2a4c_a_a:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO5)2 to be MgTiZn(BiO3)2" +mp-2241056,MgTiZn(BiO3)2,-6.0785279255,-1.7042891796,0.659093084,0.659093084,GGA,P4mm,A2BC6DE_tP11_99_c_a_abd_a_b:Bi-Mg-O-Ti-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_tP11_99_c_a_ab2d_a_b:Bi-Mg-O-Ti-Zn, expected MgTiZn(BiO5)2 to be MgTiZn(BiO3)2" +mp-1093856,MgTiZn2,-1.258324045,1.7454907767,1.9024818044,1.9024818044,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Ti-Zn,4.0,ABC2_oI8_71_a_b_e:Mg-Ti-Zn +mp-1221954,MgTi2ZnO6,-7.916849485,-3.0837354889,0.016262028,0.016262028,GGA,R3,AB6C2D_hR30_146_a_2b_2a_a:Mg-O-Ti-Zn,10.0,AB6C2D_hR30_146_a_2b_2a_a:Mg-O-Ti-Zn +mp-1021320,Mg6TiBi,-2.6234205862,0.0437870946,0.1253023644,0.1253023644,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Ti, expected Mg12TiBi to be Mg6TiBi" +mp-1021362,Mg6TiBi,-2.6301255213,0.0370821596,0.1185974294,0.1185974294,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Ti, expected Mg12TiBi to be Mg6TiBi" +mp-1026398,Mg14TiBi,-2.1154199425,0.0183239229,0.0713734671,0.0713734671,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Ti, expected Mg18TiBi to be Mg14TiBi" +mp-1026392,Mg14TiBi,-2.1074454594,0.026298406,0.0793479503,0.0793479503,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Ti, expected Mg26TiBi to be Mg14TiBi" +mp-1040397,Mg30TiBiO32,-6.2919279622,-2.8850776277,0.1462220568,0.1462220568,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Ti, expected Mg110TiBiO72 to be Mg30TiBiO32" +mp-1040359,Mg30TiBiO32,-6.2948246655,-2.887974331,0.1433253535,0.1433253535,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Ti, expected Mg90TiBiO80 to be Mg30TiBiO32" +mp-1022608,Mg6TiZn,-2.2650618987,0.0795525921,0.1471989894,0.1471989894,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ti-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ti-Zn, expected Mg12TiZn to be Mg6TiZn" +mp-1022614,Mg6TiZn,-2.2737063987,0.0709080921,0.1385544894,0.1385544894,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ti-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ti-Zn, expected Mg12TiZn to be Mg6TiZn" +mp-1220554,Nd(TiCo5)2,-7.1766367946,-0.127228378,0.055427926,0.055427926,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Co-Nd-Ti,13.0,A10BC2_oI26_71_efhk_a_g:Co-Nd-Ti +mp-1173574,Nd4Ti3Co2(Si2O11)2,-8.5598869509,-3.2026262326,0.1205147083,0.1205147083,GGA+U,P2_1/c,A2B4C22D4E3_mP70_14_bc_2e_11e_2e_ae:Co-Nd-O-Si-Ti,70.0,"Invalid WP multiplicities - A2B4C22D4E3_mP70_14_2ab_5e_41e_5e_2c2e:Co-Nd-O-Si-Ti, expected Nd10Ti6Co3(Si5O41)2 to be Nd4Ti3Co2(Si2O11)2" +mp-1022026,BaMg6Ni,-2.0670649837,0.0955340063,0.2061163898,0.2061163898,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:Ba-Mg-Ni +mp-1022055,BaMg6Ni,-2.0647954444,0.0978035456,0.2083859292,0.2083859292,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Ni, expected BaMg12Ni to be BaMg6Ni" +mp-1047912,BaMgNiF7,-5.4426166417,-3.1746421975,0.047670395,0.047670395,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Ni,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Ni, expected BaMgNiF23 to be BaMgNiF7" +mp-1354763,Ba2MgCuNi2F14,-5.260129764,-2.8672089887,0.0708074569,0.0708074569,GGA+U,P1,A2BC14DE2_aP40_1_4a_2a_28a_2a_4a:Ba-Cu-F-Mg-Ni,40.0,A2BC14DE2_aP40_1_4a_2a_28a_2a_4a:Ba-Cu-F-Mg-Ni +mp-1028370,BaMg14Ni,-1.7979557313,0.0834837887,0.1542368276,0.1542368276,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Ni, expected BaMg18Ni to be BaMg14Ni" +mp-1099078,BaMg14Ni,-1.7620440363,0.1193954837,0.1901485226,0.1901485226,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Ni, expected BaMg26Ni to be BaMg14Ni" +mp-1398330,MgMoF6,-6.1691429875,-3.1797924919,0.0,-0.0630208278,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mg-Mo,8.0,A6BC_hR24_148_f_a_b:F-Mg-Mo +mp-1047848,BaMgMoF7,-6.2818783283,-3.507352541,0.0,-0.0027687018,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Mo,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Mo, expected BaMgMoF23 to be BaMgMoF7" +mp-1026880,Mg14CuMo,-2.2163429031,0.1179556894,0.1507900824,0.1507900824,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Mo, expected Mg18CuMo to be Mg14CuMo" +mp-1026872,Mg14CuMo,-2.2230049369,0.1112936556,0.1441280486,0.1441280486,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Mo, expected Mg26CuMo to be Mg14CuMo" +mp-1022070,Mg6CuMo,-2.8352644231,0.2330527119,0.2846295864,0.2846295864,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Mo, expected Mg12CuMo to be Mg6CuMo" +mp-1022101,Mg6CuMo,-2.84357261,0.224744525,0.2763213995,0.2763213995,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Mo, expected Mg12CuMo to be Mg6CuMo" +mp-1348431,MgMoF5,-6.3008818221,-3.1575496796,0.0644340414,0.0644340414,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Mo,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Mo +mp-1445001,MgMoF5,-6.3056153021,-3.1622831596,0.0597005614,0.0597005614,GGA+U,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-Mo,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_c:F-Mg-Mo, expected MgMoF7 to be MgMoF5" +mp-1045817,Ba2CuMo2F14,-6.0329502524,-3.0650996042,0.0,-0.0369690167,GGA+U,C2/c,A2BC14D2_mC76_15_f_a_7f_f:Ba-Cu-F-Mo,38.0,"Invalid WP multiplicities - A2BC14D2_mC76_15_f_c_24f_f:Ba-Cu-F-Mo, expected Ba2CuMo2F48 to be Ba2CuMo2F14" +mp-1045901,Ba2MgCuMo2F14,-6.0835462127,-3.1840740945,0.0293416152,0.0293416152,GGA+U,C2/c,A2BC14DE2_mC80_15_f_a_7f_e_f:Ba-Cu-F-Mg-Mo,40.0,"Invalid WP multiplicities - A2BC14DE2_mC80_15_f_c_24f_e_f:Ba-Cu-F-Mg-Mo, expected Ba2MgCuMo2F48 to be Ba2MgCuMo2F14" +mp-1191603,Yb2Cu3Te4(ClO3)4,-5.4907622328,-1.7025833801,0.0,-0.0200832472,GGA,P-1,A4B3C12D4E2_aP25_2_2i_ai_6i_2i_i:Cl-Cu-O-Te-Yb,,A4B3C12D4E2_aP25_2_2i_ai_6i_2i_i:Cl-Cu-O-Te-Yb +mp-1204000,Yb3Cu3Te4(ClO2)6,-5.3822681395,-1.8129412495,0.0170098396,0.0170098396,GGA,P2/c,A6B3C12D4E3_mP56_13_3g_eg_6g_2g_fg:Cl-Cu-O-Te-Yb,,A6B3C12D4E3_mP56_13_3g_eg_6g_2g_fg:Cl-Cu-O-Te-Yb +mp-1199127,La6Co13Sn,-6.46229066,-0.160603369,0.0,-0.0101662071,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Co-La-Sn,40.0,A13B6C_tI80_140_dk2l_fl_a:Co-La-Sn +mp-11356,La3Co2Sn7,-5.3326938467,-0.5750555225,0.0,-0.0310383989,GGA,Cmmm,A2B3C7_oC24_65_g_ah_c2gh:Co-La-Sn,12.0,"Invalid WP multiplicities - A2B3C7_oC24_65_g_ah_c2g2h:Co-La-Sn, expected La3Co2Sn9 to be La3Co2Sn7" +mp-1223377,La2CoSn4,-5.3152730129,-0.5983273807,0.0119503591,0.0119503591,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Co-La-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Co-La-Sn +mp-1206347,La4Co2Sn5,-5.5281069355,-0.6182411823,0.0088789635,0.0088789635,GGA,C2/m,A2B4C5_mC22_12_i_2i_a2i:Co-La-Sn,11.0,A2B4C5_mC22_12_i_2i_a2i:Co-La-Sn +mp-672373,La3Co4Sn13,-5.1684270003,-0.4001406698,0.0,-0.0117538029,GGA,Pm-3n,A4B3C13_cP40_223_e_c_ak:Co-La-Sn,40.0,"Invalid WP multiplicities - A4B3C13_cP40_223_e_c_2a3k:Co-La-Sn, expected La3(Co2Sn19)2 to be La3Co4Sn13" +mp-1228220,Ba4La2SbRuO12,-7.4219146245,-2.9063355103,0.000591651,0.000591651,GGA,P-1,A4B2C12DE_aP20_2_2i_i_6i_b_c:Ba-La-O-Ru-Sb,20.0,"Invalid WP multiplicities - A4B2C12DE_aP20_2_3i_i_9i_b_c:Ba-La-O-Ru-Sb, expected Ba6La2SbRuO18 to be Ba4La2SbRuO12" +mp-9976,Ba(Sb3Ru)4,-5.67425046,-0.4645681082,0.0,-0.0323755241,GGA,Im-3,AB4C12_cI34_204_a_c_g:Ba-Ru-Sb,17.0,AB4C12_cI34_204_a_c_g:Ba-Ru-Sb +mp-1188603,La(Sb3Ru)4,-5.8848562894,-0.4977014574,0.0,-0.0509992903,GGA,Im-3,AB4C12_cI34_204_a_c_g:La-Ru-Sb,17.0,AB4C12_cI34_204_a_c_g:La-Ru-Sb +mp-1069937,Ba(SbRu)2,-6.261906986,-0.5167504860000001,0.0302863548,0.0302863548,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Ru-Sb,5.0,AB2C2_tI10_139_a_d_e:Ba-Ru-Sb +mp-1147678,Sr4Cu3ClO6,-5.6884466514,-2.0752850264,0.1870404262,0.1870404262,GGA,Im-3m,AB3C6D4_cI28_229_a_b_d_c:Cl-Cu-O-Sr,14.0,AB3C6D4_cI28_229_a_b_d_c:Cl-Cu-O-Sr +mp-1232359,SrNb2CuClO7,-7.7267312942,-2.5211756407,0.117595446,0.117595446,GGA,P4/mmm,ABC2D7E_tP12_123_c_a_g_bgi_d:Cl-Cu-Nb-O-Sr,12.0,"Invalid WP multiplicities - ABC2D7E_tP12_123_c_a_g_b2g3i_d:Cl-Cu-Nb-O-Sr, expected SrNb2CuClO17 to be SrNb2CuClO7" +mp-561243,Sr2CuClO2,-5.7101297794,-2.5067785029,0.0,-0.0388846458,GGA,P3_121,ABC2D2_hP18_152_a_b_c_c:Cl-Cu-O-Sr,18.0,ABC2D2_hP18_152_a_b_c_c:Cl-Cu-O-Sr +mp-1147538,Sr2Cu(ClO)2,-5.0275954614,-2.0177891301,0.4315618657,0.4188750938,GGA,P4/mmm,A2BC2D2_tP7_123_e_b_ac_f:Cl-Cu-O-Sr,7.0,A2BC2D2_tP7_123_e_b_ac_f:Cl-Cu-O-Sr +mp-23102,Sr2Cu(ClO)2,-5.4591573271,-2.4493509958,0.0,-0.0126867719,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-O-Sr,7.0,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-O-Sr +mp-547517,Sr2Cu3(ClO2)2,-5.4464018164,-1.8863622635,0.0153814936,0.0153814936,GGA,I4/mmm,A2B3C4D2_tI22_139_d_ac_h_e:Cl-Cu-O-Sr,11.0,A2B3C4D2_tI22_139_d_ac_h_e:Cl-Cu-O-Sr +mp-1208767,Sr2SmCu2(BiO4)2,-6.384387126,-2.1476888372,0.1076241317,0.1076241317,GGA,I4/mmm,A2B2C8DE2_tI30_139_e_e_2eg_a_e:Bi-Cu-O-Sm-Sr,15.0,A2B2C8DE2_tI30_139_e_e_2eg_a_e:Bi-Cu-O-Sm-Sr +mp-1208755,Sr2SmBiO6,-6.9792194995,-2.8174000556000003,0.0,-0.0451929339,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Bi-O-Sm-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Bi-O-Sm-Sr +mp-1520392,Sr2SmBiO6,-6.9398808817,-2.7780614378,0.0393386178,-0.0058543162,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Sm-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Bi-O-Sm-Sr +mp-1520599,Sr2SmBiO6,-6.858268999,-2.6964495551,0.1209505005,0.0757575666,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sm-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Bi-O-Sm-Sr +mp-1519508,SrDyCr4O12,-7.9098179644,-2.1171104806,0.309723726,0.309723726,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Cr-Dy-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Cr-Dy-O-Sr, expected SrDyCr4O18 to be SrDyCr4O12" +mp-1517166,Sr2DyCrO6,-7.607987563,-2.8760922146,0.1458320287,0.1458320287,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Dy-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Dy-O-Sr +mp-1520871,SrEuDyCrO6,-8.504743757,-2.9160975739,0.2056317374,0.2056317374,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Cr-Dy-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Cr-Dy-Eu-O-Sr +mp-1522433,EuDyCr4O12,-8.1191946994,-1.8505145297,0.5961881756,0.5961881756,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Cr-Dy-Eu-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Cr-Dy-Eu-O, expected EuDyCr4O18 to be EuDyCr4O12" +mp-773078,Li7Ca8Nb12O40,-8.2992454461,-3.0978951769,0.0132289211,0.0132289211,GGA,P1,A8B7C12D40_aP67_1_8a_7a_12a_40a:Ca-Li-Nb-O,67.0,A8B7C12D40_aP67_1_8a_7a_12a_40a:Ca-Li-Nb-O +mp-773024,LiCa2Nb3O10,-8.5026692611,-3.1469864574,0.0320993184,0.0320993184,GGA,Pc,A2BC3D10_mP64_7_4a_2a_6a_20a:Ca-Li-Nb-O,64.0,"Invalid WP multiplicities - A2BC3D10_mP64_7_6a_3a_10a_28a:Ca-Li-Nb-O, expected Li3Ca6Nb10O28 to be LiCa2Nb3O10" +mp-766983,LiCa2Nb3O10,-8.5060290898,-3.1503462861,0.0287394897,0.0287394897,GGA,P2_1/c,A2BC3D10_mP64_14_2e_e_ad2e_10e:Ca-Li-Nb-O,64.0,"Invalid WP multiplicities - A2BC3D10_mP64_14_3e_e_2a2b6e_27e:Ca-Li-Nb-O, expected LiCa3Nb8O27 to be LiCa2Nb3O10" +mp-1222663,Li4Ca3Nb6O20,-8.1946945573,-2.9463886309,0.1370260739,0.1370260739,GGA,Amm2,A3B4C6D20_oC66_38_2ab_de_3a3b_4a4b3f:Ca-Li-Nb-O,33.0,"Invalid WP multiplicities - A3B4C6D20_oC66_38_2ab_d2e_3a3b_4a4b3f:Ca-Li-Nb-O, expected Li6Ca3Nb6O20 to be Li4Ca3Nb6O20" +mp-1520754,BaNbInSnO6,-7.324112227,-2.4779454438,0.1385292223,0.1385292223,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-In-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-In-Nb-O-Sn +mp-1520089,NaEuNbSbO6,-8.071244935,-2.5222483709,0.1776945275,0.1776945275,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-Sb +mp-1048048,Sr2GaBi2O7,-6.3016531779000005,-2.2420796639,0.0956227513,0.0956227513,GGA,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Bi-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_oI48_46_c_b_2b7c_c:Bi-Ga-O-Sr, expected Sr2Ga(BiO8)2 to be Sr2GaBi2O7" +mp-1516278,SrCaGaBiO6,-6.304344734,-2.2799636587,0.1246590468,0.1246590468,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Ga-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Ga-O-Sr +mp-1523254,Sr2GaBiO6,-6.326530505,-2.3337600723,0.0695142052,0.0695142052,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Ga-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Ga-O-Sr +mp-1028135,CaMg14Bi,-1.810024145,-0.0443985381,0.0839272911,0.0839272911,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Ca-Mg, expected CaMg18Bi to be CaMg14Bi" +mp-1028126,CaMg14Bi,-1.7716990338,-0.0060734269,0.1222524023,0.1222524023,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Ca-Mg, expected CaMg26Bi to be CaMg14Bi" +mp-1037782,CaMg30BiO32,-6.2240429898,-2.90922222,0.101402029,0.101402029,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Ca-Mg-O, expected CaMg90BiO80 to be CaMg30BiO32" +mp-2242218,Ba2LuMgRuO6,-6.9302279982,-2.4835266111,0.434923458,0.434923458,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Lu-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a3b_a:Ba-Lu-Mg-O-Ru, expected Ba2LuMgRuO8 to be Ba2LuMgRuO6" +mp-1218757,Sr2La2TlNi2O9,-6.9741666244000005,-2.4932843728,0.0063201575,0.0063201575,GGA+U,Fmm2,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:La-Ni-O-Sr-Tl,32.0,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:La-Ni-O-Sr-Tl +mp-1096712,SrLaTl2,-1.39844549,1.4392512229,1.86566108,1.86566108,GGA,Immm,ABC2_oI8_71_a_b_e:La-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:La-Sr-Tl +mp-554949,Ba6Ru2Pt(ClO6)2,-6.6975033039,-2.3848456563,0.0,-0.0055026759,GGA,P-3m1,A6B2C12DE2_hP23_164_3d_d_2i_a_c:Ba-Cl-O-Pt-Ru,23.0,"Invalid WP multiplicities - A6B2C12DE2_hP23_164_6d_d_5i_a_c:Ba-Cl-O-Pt-Ru, expected Ba12Ru2Pt(ClO15)2 to be Ba6Ru2Pt(ClO6)2" +mp-556954,Ba5Ru2Cl2O9,-6.7078929394,-2.465617856,0.0574574322,0.0574574322,GGA,Pnma,A5B2C9D2_oP72_62_5c_2c_3c3d_2c:Ba-Cl-O-Ru,72.0,"Invalid WP multiplicities - A5B2C9D2_oP72_62_17c_3c_10c21d_5c:Ba-Cl-O-Ru, expected Ba17Ru5Cl3O52 to be Ba5Ru2Cl2O9" +mp-556443,Ba5Ru2Cl2O9,-6.7522780853,-2.5100030019,0.0130722864,0.0130722864,GGA,P6_3/mmc,A5B2C9D2_hP36_194_c2f_f_hk_e:Ba-Cl-O-Ru,36.0,"Invalid WP multiplicities - A5B2C9D2_hP36_194_c5f_f_4h4k_e:Ba-Cl-O-Ru, expected Ba11Ru2(ClO18)2 to be Ba5Ru2Cl2O9" +mp-561481,Ba5Ru2ClO9,-6.8304799903,-2.4473967643,0.0685175001,0.0685175001,GGA,Cmc2_1,A5BC9D2_oC68_36_5a_a_3a3b_2a:Ba-Cl-O-Ru,34.0,"Invalid WP multiplicities - A5BC9D2_oC68_36_7a_a_6a8b_4a:Ba-Cl-O-Ru, expected Ba7Ru4ClO22 to be Ba5Ru2ClO9" +mp-558595,Ba6Ru3(ClO6)2,-6.95173957,-2.4998093476,0.0,-0.059593436,GGA,P-3m1,A6B2C12D3_hP23_164_3d_d_2i_ac:Ba-Cl-O-Ru,23.0,"Invalid WP multiplicities - A6B2C12D3_hP23_164_4d_d_5i_a2c:Ba-Cl-O-Ru, expected Ba8Ru5(ClO15)2 to be Ba6Ru3(ClO6)2" +mp-1229136,Ba20Ru11PtO48,-7.1024029427,-2.3035264652,0.0,-0.0123364829,GGA,Pm,A20B48CD11_mP80_6_10a10b_8a8b16c_a_5a6b:Ba-O-Pt-Ru,80.0,"Invalid WP multiplicities - A20B48CD11_mP80_6_10a10b_8a8b32c_a_5a6b:Ba-O-Pt-Ru, expected Ba20Ru11PtO80 to be Ba20Ru11PtO48" +mp-554143,Ba7Ru4Cl2O15,-6.9745421207,-2.3878335947,0.0564709385,0.0564709385,GGA,R-3m,A7B2C15D4_hR84_166_a3c_c_e2h_2c:Ba-Cl-O-Ru,28.0,"Invalid WP multiplicities - A7B2C15D4_hR84_166_a6c_c_2e7h_4c:Ba-Cl-O-Ru, expected Ba13Ru8(ClO24)2 to be Ba7Ru4Cl2O15" +mp-1047810,CaCu2(NiO4)2,-5.7023187394,-0.9840267187,0.3132820606,0.3132820606,GGA+U,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ca-Cu-Ni-O,52.0,"Invalid WP multiplicities - AB2C2D8_mP52_14_e_6e_5e_26e:Ca-Cu-Ni-O, expected CaCu6Ni5O26 to be CaCu2(NiO4)2" +mp-1043133,CaCu3(NiO3)4,-5.982163316,-1.1429617587,0.0489368178,0.0489368178,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ni-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ni-O +mp-1519609,NaSrCeSbO6,-7.07698807,-2.8015639291000003,0.0742375461,0.0742375461,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Ce-Na-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Ce-Na-O-Sb-Sr +mp-1218250,SrLiPrTeO6,-6.8374435365,-2.7171675129,0.0061269159,0.0061269159,GGA,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Li-O-Pr-Sr-Te,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Li-O-Pr-Sr-Te +mp-39144,SrLiPrTeO6,-6.826482943,-2.7062069194,0.0170875094,0.0170875094,GGA,Cm,AB6CDE_mC20_8_a_2a2b_a_a_a:Li-O-Pr-Sr-Te,10.0,"Invalid WP multiplicities - AB6CDE_mC20_8_a_2a3b_a_a_a:Li-O-Pr-Sr-Te, expected SrLiPrTeO8 to be SrLiPrTeO6" +mp-1208810,Sr2LiTeO6,-6.207887868,-2.3967530746,0.0207836635,0.0207836635,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Li-O-Sr-Te,20.0,AB6C2D_mP20_14_a_3e_e_b:Li-O-Sr-Te +mp-1208808,Sr2LiTeO6,-6.208008842,-2.3968740486,0.0206626895,0.0206626895,GGA,P4/mnc,AB6C2D_tP20_128_a_eh_d_b:Li-O-Sr-Te,20.0,AB6C2D_tP20_128_a_eh_d_b:Li-O-Sr-Te +mp-8809,BaLa2PtO5,-7.7643230861,-3.0314824165,0.0,-0.0122609867,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-La-O-Pt,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-La-O-Pt +mp-1228518,Ba2La4CuPtO10,-7.6423625294,-3.0190733404,0.0158309376,0.0158309376,GGA,Cmmm,A2BC4D10E_oC36_65_e_a_hj_fno_b:Ba-Cu-La-O-Pt,18.0,"Invalid WP multiplicities - A2BC4D10E_oC36_65_e_a_hj_f2n2o_b:Ba-Cu-La-O-Pt, expected Ba2La4CuPtO18 to be Ba2La4CuPtO10" +mp-1518671,SrTbEuCoO6,-7.948900937,-2.6119697954000003,0.1834748758,0.1834748758,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Co-Eu-O-Sr-Tb,,ABC6DE_cF40_216_a_c_f_d_b:Co-Eu-O-Sr-Tb +mp-1518694,SrTbEuCoO6,-6.9115309423,-1.5745998007000002,1.2208448706,1.2208448706,GGA+U,P222,ABC6DE_oP40_16_u_abch_6u_defg_u:Co-Eu-O-Sr-Tb,40.0,ABC6DE_oP40_16_u_abch_6u_defg_u:Co-Eu-O-Sr-Tb +mp-1517177,Sr2TbCoO6,-7.029662547,-2.5494822401,0.109609499,0.109609499,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Tb +mp-1521269,BaCaEuSbO6,-7.6238756715,-2.8248046587,0.053206016,0.053206016,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Eu-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Eu-O-Sb, expected BaCaEuSbO12 to be BaCaEuSbO6" +mp-1521122,BaCaEuSbO6,-7.6255718097,-2.826500797,0.0515098777,0.0515098777,GGA,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Eu-O-Sb,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Eu-O-Sb +mp-1520835,BaCaEuSbO6,-7.629664931,-2.8305939183,0.0474167565,0.0474167565,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ca-Eu-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ca-Eu-O-Sb, expected BaCaEu2SbO12 to be BaCaEuSbO6" +mp-1521158,BaCaEuSbO6,-7.552071058,-2.7530000453,0.1250106295,0.1250106295,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Eu-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Eu-O-Sb +mp-1520952,BaCaEuSbO6,-7.545794334,-2.7467233213,0.1312873535,0.1312873535,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-Sb +mp-1209770,Pr2CoRuO6,-8.0254251555,-2.4629587443,0.1354940793,0.1354940793,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Pr-Ru,20.0,AB6C2D_mP20_14_a_3e_e_b:Co-O-Pr-Ru +mp-1218107,SrPrCoRuO6,-7.589767525,-2.3364423439,0.0562689939,0.0562689939,GGA+U,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Co-O-Pr-Ru-Sr,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Co-O-Pr-Ru-Sr +mp-1213380,CsLaZr6CCl18,-5.9961067574,-2.3064794008,0.0,-0.0019377535,GGA,P-31c,AB18CDE6_hP54_163_b_3i_c_d_i:C-Cl-Cs-La-Zr,54.0,AB18CDE6_hP54_163_b_3i_c_d_i:C-Cl-Cs-La-Zr +mp-1213455,CsZr6CCl15,-6.0822614991,-2.2066823015,0.0,-0.0267647027,GGA,Pmma,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-Cs-Zr,92.0,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:C-Cl-Cs-Zr +mp-1223264,La2FeAs2RuO2,-7.6681894688,-1.8146829447,0.1647421217,0.1647421217,GGA+U,P-4m2,A2BC2D2E_tP8_115_g_a_g_cd_b:As-Fe-La-O-Ru,8.0,A2BC2D2E_tP8_115_g_a_g_cd_b:As-Fe-La-O-Ru +mp-1223053,La4FeAs4Ru3O4,-7.8809340203,-1.9771536631,0.0097494282,0.0097494282,GGA+U,P-42m,A4BC4D4E3_tP16_111_n_a_n_bcf_de:As-Fe-La-O-Ru,32.0,A4BC4D4E3_tP16_111_n_a_n_bcf_de:As-Fe-La-O-Ru +mp-1223024,La4FeAs4Ru3O4,-7.878118625,-1.9743382678,0.0125648235,0.0125648235,GGA+U,P-4m2,A4BC4D4E3_tP16_115_2g_a_2g_ef_bcd:As-Fe-La-O-Ru,32.0,A4BC4D4E3_tP16_115_2g_a_2g_ef_bcd:As-Fe-La-O-Ru +mp-1211381,La2FeAs2O,-5.6170239133,-0.1825304231,1.6339613581,1.6339613581,GGA+U,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Fe-La-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Fe-La-O +mp-1084754,LaAsRuO,-6.3132121838,-0.3591579934,1.6302377728000002,1.6302377728000002,GGA,P4/nmm,ABCD_tP8_129_c_c_a_b:As-La-O-Ru,8.0,ABCD_tP8_129_c_c_a_b:As-La-O-Ru +mp-1286896,LaFeAsO,-7.5093851638,-1.7564263059,0.1864687009,0.1864687009,GGA+U,P2_1/m,ABCD_mP8_11_e_e_e_e:As-Fe-La-O,16.0,ABCD_tP8_129_c_a_c_b:As-Fe-La-O +mp-1281007,LaFeAsO,-7.5236308481,-1.7706719903,0.1722230166,0.1722230166,GGA+U,Ibca,ABCD_oI32_73_c_d_c_e:As-Fe-La-O,16.0,ABCD_oI32_73_c_d_c_e:As-Fe-La-O +mp-20287,LaFeAsO,-7.5116522869,-1.7586934291,0.1842015778,0.1842015778,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Fe-La-O,16.0,ABCD_tP8_129_c_a_c_b:As-Fe-La-O +mp-569188,La(AsRu)2,-7.341115808,-0.780506009,0.0,-0.0358945195,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-La-Ru,5.0,A2BC2_tI10_139_e_a_d:As-La-Ru +mp-1519927,BaCaTbSnO6,-7.100638055,-2.8757735508,0.1033976859,0.1033976859,GGA,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Ca-O-Sn-Tb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Ca-O-Sn-Tb, expected BaCaTbSnO12 to be BaCaTbSnO6" +mp-1519861,BaCaTbSnO6,-7.0991952225,-2.8743307183,0.1048405184,0.1048405184,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Ca-O-Sn-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Ca-O-Sn-Tb, expected BaCa2TbSnO12 to be BaCaTbSnO6" +mp-1519885,BaCaTbSnO6,-7.024987742,-2.8001232378000003,0.1790479989,0.1790479989,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sn-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sn-Tb +mp-11265,BaCaSn,-3.32083246,-0.6761169017,0.0,-0.0485662379,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Ca-Sn,12.0,ABC_oP12_62_c_c_c:Ba-Ca-Sn +mp-583645,BaCaSn3,-3.7989578767,-0.6082997998,0.0015253983,0.0015253983,GGA,Cmce,ABC3_oC80_64_df_g_2f2g:Ba-Ca-Sn,40.0,"Invalid WP multiplicities - ABC3_oC80_64_3d3f_g_8f12g:Ba-Ca-Sn, expected Ba3CaSn16 to be BaCaSn3" +mp-1047389,BaCa(SnO2)4,-6.4049001571,-2.1523021621,0.1951800307,0.1951800307,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Sn,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Sn +mp-1523289,BaCa(SnO3)4,-6.2995245472,-1.8926841708,0.2762746675,0.2762746675,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ba-Ca-O-Sn,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ba-Ca-O-Sn, expected BaCa(Sn2O9)2 to be BaCa(SnO3)4" +mp-1227477,Ca2LaTaO6,-8.642248314,-3.5937366377,0.0,-0.005935095,GGA,Pc,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Ta,20.0,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Ta +mp-1023147,CaLaMg6,-2.04170895,0.0262019606,0.1353417549,0.1353417549,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-La-Mg, expected CaLaMg12 to be CaLaMg6" +mp-1023211,CaLaMg6,-2.04328686,0.0246240506,0.1337638449,0.1337638449,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-La-Mg, expected CaLaMg12 to be CaLaMg6" +mp-1028188,CaLaMg14,-1.8091967331,0.0248987472,0.0917927915,0.0917927915,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-La-Mg, expected CaLaMg18 to be CaLaMg14" +mp-1028180,CaLaMg14,-1.8216129919,0.0124824884,0.0793765328,0.0793765328,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-La-Mg, expected CaLaMg26 to be CaLaMg14" +mp-684801,CaLaMgTaO6,-8.5479749005,-3.5399952073,0.0,-0.0117205353,GGA,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-La-Mg-O-Ta,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Ca-La-Mg-O-Ta, expected CaLaMgTaO12 to be CaLaMgTaO6" +mp-861643,CaLaMg2,-2.6454977025,-0.1099559313,0.0,-0.0150540094,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-La-Mg,4.0,ABC2_cF16_225_a_b_c:Ca-La-Mg +mp-1519076,SrPrZrMnO6,-8.501111136,-3.1150863962,0.1900644163,0.1900644163,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Zr,10.0,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Zr +mp-1518126,SrEuNbGaO6,-8.512388962,-3.0367861037,0.0326740787,0.0326740787,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Ga-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Ga-Nb-O-Sr +mp-1517174,SrCaBiSbO6,-6.5506152133,-2.4161436162,0.0830939771,0.0830939771,GGA,P222,ABC6DE_oP40_16_u_abch_6u_u_defg:Bi-Ca-O-Sb-Sr,40.0,ABC6DE_oP40_16_u_abch_6u_u_defg:Bi-Ca-O-Sb-Sr +mp-1517305,SrCaBiSbO6,-6.444919932,-2.3104483349,0.1887892584,0.1887892584,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-Ca-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-Ca-O-Sb-Sr +mp-677573,NaCa2Mg2(AsO4)3,-6.6367311417,-2.5431358966,0.0,-0.0157165195,GGA,I4_1/acd,A3B2C2DE12_tI160_142_ae_e_c_b_3g:As-Ca-Mg-Na-O,80.0,"Invalid WP multiplicities - A3B2C2DE12_tI160_142_3a2e_e_c_b_38g:As-Ca-Mg-Na-O, expected NaCa2Mg2As7O152 to be NaCa2Mg2(AsO4)3" +mp-9564,Ca(MgAs)2,-3.84698178,-0.942102422,0.0,-0.1435294564,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ca-Mg,5.0,A2BC2_hP5_164_d_a_d:As-Ca-Mg +mp-1028186,NaCaMg14,-1.5703492381,0.037903629,0.0762902426,0.0762902426,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Na, expected NaCaMg18 to be NaCaMg14" +mp-1028183,NaCaMg14,-1.5760355237,0.0322173433,0.0706039569,0.0706039569,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Na, expected NaCaMg26 to be NaCaMg14" +mp-1228780,Ca19Mg(AsO4)14,-6.868530815,-2.624654112,0.0142187565,0.0142187565,GGA,R3,A14B19CD56_hR270_146_2a4b_a6b_a_2a18b:As-Ca-Mg-O,90.0,A14B19CD56_hR270_146_2a4b_a6b_a_2a18b:As-Ca-Mg-O +mp-1214201,Ca2Mg(AsO5)2,-6.3538418347,-2.0607349192,0.2117687297,0.2117687297,GGA,P2_1/c,A2B2CD10_mP30_14_e_e_a_5e:As-Ca-Mg-O,30.0,A2B2CD10_mP30_14_e_e_a_5e:As-Ca-Mg-O +mp-1023250,NaCaMg6,-1.5558351388,0.0603905454,0.1125154782,0.1125154782,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Na, expected NaCaMg12 to be NaCaMg6" +mp-1099110,NaCaMg6,-1.5575278862,0.0586977979,0.1108227307,0.1108227307,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Na,8.0,AB6C_oC16_38_a_abde_b:Ca-Mg-Na +mp-1193109,NaCaAsO4,-6.4717061143,-2.5039920538,0.0,-0.0476977368,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:As-Ca-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:As-Ca-Na-O +mp-1210085,NaCaAsO4,-6.4433523914,-2.4756383309,0.0283537229,-0.0193440139,GGA,Cmcm,ABCD4_oC28_63_c_a_c_fg:As-Ca-Na-O,14.0,ABCD4_oC28_63_c_a_c_fg:As-Ca-Na-O +mp-560545,Na2Ca(AsO3)4,-6.3848390658,-2.0349765067,0.0173400177,0.0173400177,GGA,P4/nbm,A4BC2D12_tP38_125_l_a_e_mn:As-Ca-Na-O,38.0,"Invalid WP multiplicities - A4BC2D12_tP38_125_l_a_e_8m7n:As-Ca-Na-O, expected Na2Ca(AsO22)4 to be Na2Ca(AsO3)4" +mp-1182651,Ca4MgAs4O27,-5.5841360219,-1.089143011,0.6254466183,0.6254466183,GGA,P-1,A4B4CD27_aP72_2_4i_4i_i_27i:As-Ca-Mg-O,72.0,A4B4CD27_aP72_2_4i_4i_i_27i:As-Ca-Mg-O +mp-1197953,Ca4MgAs4O27,-5.8201934253,-1.3252004143,0.389389215,0.389389215,GGA,P-1,A4B4CD27_aP72_2_4i_4i_i_27i:As-Ca-Mg-O,72.0,A4B4CD27_aP72_2_4i_4i_i_27i:As-Ca-Mg-O +mp-1214140,Ca3Mg2(AsO4)3,-6.7340160914,-2.6062671169,0.0366101375,0.0366101375,GGA,Ia-3d,A3B3C2D12_cI160_230_d_c_a_h:As-Ca-Mg-O,80.0,A3B3C2D12_cI160_230_d_c_a_h:As-Ca-Mg-O +mp-1038045,CaMg30FeO32,-6.3852695227,-2.9981123141,0.0147008127,0.0147008127,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Fe-Mg-O, expected CaMg90FeO80 to be CaMg30FeO32" +mp-1038124,CaMg30FeO32,-6.3672488739,-2.9800916653,0.0327214614,0.0327214614,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Fe-Mg-O, expected CaMg110FeO72 to be CaMg30FeO32" +mp-1183557,CaSmMg2,-2.5704684575,-0.0892819288,0.0003264106,0.0003264106,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Mg-Sm,4.0,AB2C_cF16_225_a_c_b:Ca-Mg-Sm +mp-1032929,CaMg6FeO8,-6.5392011481,-2.8110254556000003,0.0781061531,0.0781061531,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Fe-Mg-O, expected CaMg6FeO12 to be CaMg6FeO8" +mp-1032930,CaMg6FeO8,-6.4757672819,-2.7475915894,0.1415400194,0.1415400194,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Fe-Mg-O, expected CaMg6FeO12 to be CaMg6FeO8" +mp-1036463,CaMg14FeO16,-6.4384420694,-2.9376120328,0.0339739213,0.0339739213,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Fe-Mg-O, expected CaMg18FeO20 to be CaMg14FeO16" +mp-1036442,CaMg14FeO16,-6.4078655347,-2.9070354981,0.0645504559,0.0645504559,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Fe-Mg-O, expected CaMg30FeO32 to be CaMg14FeO16" +mp-19403,Ba2CaMoO6,-7.539842311,-2.9029090973,0.0,-0.0834819455,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Mo-O +mp-1044745,BaCa(MoO2)4,-8.0017626364,-1.7959994257,0.4944801007,0.4944801007,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Mo-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Ca-Mo-O +mp-1228205,Ba4CaMn2MoO12,-7.5894939235,-2.67892168,0.0140738065,0.0140738065,GGA+U,R3m,A4BC2DE12_hR60_160_4a_a_2a_a_4b:Ba-Ca-Mn-Mo-O,40.0,"Invalid WP multiplicities - A4BC2DE12_hR60_160_4a_a_4a_a_4b:Ba-Ca-Mn-Mo-O, expected Ba4CaMn4MoO12 to be Ba4CaMn2MoO12" +mp-1218104,SrPr3(FeO3)4,-8.095583434,-2.6319554293,0.0,-0.0025316372,GGA+U,Pm,A4B12C3D_mP20_6_2c_2a2b4c_a2b_a:Fe-O-Pr-Sr,20.0,"Invalid WP multiplicities - A4B12C3D_mP20_6_4c_2a2b8c_a2b_a:Fe-O-Pr-Sr, expected SrPr3(Fe2O5)4 to be SrPr3(FeO3)4" +mp-1218069,SrPr(FeO3)2,-7.8071468675,-2.4980894779,0.0,-1.7303e-06,GGA+U,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Fe-O-Pr-Sr,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_3a6b_a_a:Fe-O-Pr-Sr, expected SrPrFe2O15 to be SrPr(FeO3)2" +mp-1218109,SrPrFeCoO6,-7.563894379,-2.3910073309,0.0,-0.0054505626,GGA+U,P1,ABC6DE_aP10_1_a_a_6a_a_a:Co-Fe-O-Pr-Sr,10.0,ABC6DE_aP10_1_a_a_6a_a_a:Co-Fe-O-Pr-Sr +mp-1218794,Sr2Pr(FeO3)3,-7.6148529393,-2.4088426265000003,0.0,-0.002005241,GGA+U,C2/m,A3B9CD2_mC60_12_ac2i_3i3j_i_2i:Fe-O-Pr-Sr,30.0,"Invalid WP multiplicities - A3B9CD2_mC60_12_ad3i_6i12j_i_4i:Fe-O-Pr-Sr, expected Sr4Pr(Fe2O15)2 to be Sr2Pr(FeO3)3" +mp-1221522,Na2Al2(GeO4)3,-6.433275495,-2.0456149504,0.2440905462,0.2440905462,GGA,Fdd2,A2B3C2D12_oF152_43_b_ab_b_6b:Al-Ge-Na-O,38.0,"Invalid WP multiplicities - A2B3C2D12_oF152_43_b_ab_b_16b:Al-Ge-Na-O, expected Na2Al2Ge3O32 to be Na2Al2(GeO4)3" +mp-7400,NaAlGe,-3.4197402183,-0.1893638922,0.0,-0.0862430777,GGA,P4/nmm,ABC_tP6_129_a_c_c:Al-Ge-Na,6.0,ABC_tP6_129_a_c_c:Al-Ge-Na +mp-1210387,Na2AlGe2,-2.826979452,0.3003569734,0.4758477974,0.4758477974,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Al-Ge-Na,5.0,AB2C2_tP5_123_a_g_g:Al-Ge-Na +mp-1221447,Na2AlGe7O16,-6.7331868646,-2.1986160653,0.0407058687,0.0407058687,GGA,P1,AB7C2D16_aP26_1_a_7a_2a_16a:Al-Ge-Na-O,26.0,AB7C2D16_aP26_1_a_7a_2a_16a:Al-Ge-Na-O +mp-1221239,Na4Al3Ge3O13,-6.6206497978000005,-2.5031339076,0.0487058348,0.0487058348,GGA,R3c,A3B3C4D13_hR138_161_b_b_ab_a4b:Al-Ge-Na-O,46.0,"Invalid WP multiplicities - A3B3C4D13_hR138_161_b_b_2a2b_a19b:Al-Ge-Na-O, expected Na8Al3Ge3O58 to be Na4Al3Ge3O13" +mp-559286,Na4Al3Ge3ClO12,-6.6041901802,-2.6213765531,0.0,-0.0244676318,GGA,P-43n,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Cl-Ge-Na-O,46.0,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Cl-Ge-Na-O +mp-14511,NaAlGeO4,-6.8544439763,-2.6433177158000003,0.0,-0.0375248708,GGA,P2_1/c,ABCD4_mP84_14_3e_3e_3e_12e:Al-Ge-Na-O,84.0,"Invalid WP multiplicities - ABCD4_mP84_14_3e_3e_3e_14e:Al-Ge-Na-O, expected Na3Al3Ge3O14 to be NaAlGeO4" +mp-1220853,NaAlGeO4,-6.7780535968,-2.5669273363,0.0763903795,0.0388655087,GGA,Pmc2_1,ABCD4_oP28_26_2a_2b_ab_4a4b:Al-Ge-Na-O,28.0,ABCD4_oP28_26_2a_2b_ab_4a4b:Al-Ge-Na-O +mp-1221445,Na3Al3Ge3O16,-6.3335759028,-2.0047596502,0.215974391,0.215974391,GGA,R3c,A3B3C3D16_hR150_161_b_b_b_a5b:Al-Ge-Na-O,50.0,"Invalid WP multiplicities - A3B3C3D16_hR150_161_b_b_b_2a21b:Al-Ge-Na-O, expected Na3Al3Ge3O65 to be Na3Al3Ge3O16" +mp-1210204,Na4Al6ClO12,-6.5729637235,-2.7046003605,0.1846948516,0.1846948516,GGA,I-43m,A6BC4D12_cI46_217_d_a_c_g:Al-Cl-Na-O,23.0,A6BC4D12_cI46_217_d_a_c_g:Al-Cl-Na-O +mp-1521811,SrZrTiSnO6,-8.294236086,-3.1119970637,0.134916729,0.134916729,GGA,F-43m,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-Ti-Zr,10.0,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-Ti-Zr +mp-1215607,Zr2TiSnO8,-8.9711232258,-3.256625324,0.0533117642,0.0533117642,GGA,P2,A8BCD2_mP12_3_4e_a_d_bc:O-Sn-Ti-Zr,12.0,"Invalid WP multiplicities - A8BCD2_mP12_3_6e_a_b_cd:O-Sn-Ti-Zr, expected Zr2TiSnO12 to be Zr2TiSnO8" +mp-1215790,Zr2(TiSn)3,-6.92509415,-0.3237700406,0.122816649,0.122816649,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Sn-Ti-Zr,16.0,A3B3C2_hP16_193_g_g_d:Sn-Ti-Zr +mp-1516251,SrTi4SnO12,-8.1070062889,-2.7380452939,0.3515341412,0.3515341412,GGA,P4/mmm,A12BCD4_tP18_123_efr_a_d_i:O-Sn-Sr-Ti,18.0,"Invalid WP multiplicities - A12BCD4_tP18_123_2e2fr_a_d_i:O-Sn-Sr-Ti, expected SrTi4SnO16 to be SrTi4SnO12" +mp-1519075,Sr2TiSnO6,-7.569796923,-3.0733786184,0.0224821497,0.0224821497,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Ti +mp-541513,NaGdTiO4,-9.5104323511,-3.3560188661,0.0147343018,0.0147343018,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Gd-Na-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Gd-Na-O-Ti +mp-15275,NaGdTiO4,-9.4990305721,-3.3446170871,0.0261360807,0.0261360807,GGA,P4/nmm,ABC4D_tP14_129_c_c_2cf_c:Gd-Na-O-Ti,14.0,ABC4D_tP14_129_c_c_2cf_c:Gd-Na-O-Ti +mp-1221012,NaGdTi2O6,-9.507092932,-3.4201165486000003,0.0100255462,0.0100255462,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Gd-Na-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_3a6b_b:Gd-Na-O-Ti, expected NaGdTi2O15 to be NaGdTi2O6" +mp-2232182,Na2Gd2MgTi2O8,-8.8000842087,-2.9492796193,0.2477607921,0.2477607921,GGA,P-4m2,A2BC2D8E2_tP15_115_g_a_g_ef2g_g:Gd-Mg-Na-O-Ti,15.0,"Invalid WP multiplicities - A2BC2D8E2_tP15_115_g_a_g_2e2f2g_g:Gd-Mg-Na-O-Ti, expected Na2Gd2MgTi2O12 to be Na2Gd2MgTi2O8" +mp-2229494,Na2Gd2MgTi3O10,-8.8611685194,-2.9972275039,0.2869841517,0.2869841517,GGA,I4/mmm,A2BC2D10E3_tI36_139_e_a_e_c2eg_be:Gd-Mg-Na-O-Ti,18.0,"Invalid WP multiplicities - A2BC2D10E3_tI36_139_e_a_e_2c2eg_be:Gd-Mg-Na-O-Ti, expected Na2Gd2MgTi3O12 to be Na2Gd2MgTi3O10" +mp-20763,Na2Gd2Ti3O10,-9.4511848241,-3.3364402224,0.0738572842,0.0738572842,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:Gd-Na-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_2c2eg_ae:Gd-Na-O-Ti, expected Na2Gd2Ti3O12 to be Na2Gd2Ti3O10" +mp-1233894,Sm8MgTi4O20,-8.7620527818,-3.6146372842,0.1131089478,0.1131089478,GGA,Pm,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti,33.0,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti +mp-1234356,Sm8MgTi4O20,-8.7390483673,-3.5916328696,0.1361133624,0.1361133624,GGA,Pm,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti,33.0,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti +mp-1234381,Sm8MgTi4O20,-8.7158542485,-3.5684387509,0.1593074812,0.1593074812,GGA,Pm,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti,33.0,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti +mp-1234386,Sm8MgTi4O20,-8.7256378585,-3.5782223609,0.1495238712,0.1495238712,GGA,Pm,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti,33.0,AB20C8D4_mP33_6_a_10a10b_4a4b_2a2b:Mg-O-Sm-Ti +mp-2228338,Na2Sm2MgTi3O10,-7.9318096811,-3.1075948995,0.1739045816,0.1739045816,GGA,Cm,AB2C10D2E3_mC36_8_a_2a_4a3b_2a_3a:Mg-Na-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB2C10D2E3_mC36_8_a_2a_4a4b_2a_3a:Mg-Na-O-Sm-Ti, expected Na2Sm2MgTi3O12 to be Na2Sm2MgTi3O10" +mp-2229523,Na2Sm2MgTi3O10,-7.8771370228,-3.0529222411,0.2285772399,0.2285772399,GGA,I-4m2,AB2C10D2E3_tI36_119_c_e_2e3f_e_ae:Mg-Na-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB2C10D2E3_tI36_119_c_e_2e5f_e_ae:Mg-Na-O-Sm-Ti, expected Na2Sm2MgTi3O14 to be Na2Sm2MgTi3O10" +mp-2229870,Na2Sm2MgTi3O10,-7.812565025,-2.9883502434,0.2931492377,0.2931492377,GGA,I4/mmm,AB2C10D2E3_tI36_139_a_e_c2eg_e_be:Mg-Na-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB2C10D2E3_tI36_139_a_e_2c2eg_e_be:Mg-Na-O-Sm-Ti, expected Na2Sm2MgTi3O12 to be Na2Sm2MgTi3O10" +mp-2232341,Na2Sm2MgTi2O8,-7.637044066,-3.0339109573,0.1583334289,0.1583334289,GGA,Cm,AB2C8D2E2_mC30_8_a_2a_4a2b_2a_2a:Mg-Na-O-Sm-Ti,15.0,AB2C8D2E2_mC30_8_a_2a_4a2b_2a_2a:Mg-Na-O-Sm-Ti +mp-2232286,Na2Sm2MgTi2O8,-7.6334334647,-3.030300356,0.1619440303,0.1619440303,GGA,P4mm,AB2C8D2E2_tP15_99_a_ab_2a2b2c_ab_ab:Mg-Na-O-Sm-Ti,15.0,AB2C8D2E2_tP15_99_a_ab_2a2b2c_ab_ab:Mg-Na-O-Sm-Ti +mp-2232467,Na2Sm2MgTi2O8,-7.5371308307,-2.933997722,0.2582466643,0.2582466643,GGA,P-4m2,AB2C8D2E2_tP15_115_a_g_ef2g_g_g:Mg-Na-O-Sm-Ti,15.0,"Invalid WP multiplicities - AB2C8D2E2_tP15_115_a_g_2e2f2g_g_g:Mg-Na-O-Sm-Ti, expected Na2Sm2MgTi2O12 to be Na2Sm2MgTi2O8" +mp-2232544,Na2Sm2MgTi2O8,-7.533013826,-2.9298807173,0.2623636689,0.2623636689,GGA,P-4m2,AB2C8D2E2_tP15_115_a_g_ef2g_g_g:Mg-Na-O-Sm-Ti,15.0,"Invalid WP multiplicities - AB2C8D2E2_tP15_115_a_g_2e2f2g_g_g:Mg-Na-O-Sm-Ti, expected Na2Sm2MgTi2O12 to be Na2Sm2MgTi2O8" +mp-2222762,SmMgTiO3,-7.3212283783,-2.4788243224,0.6576506534000001,0.6576506534000001,GGA,R3m,AB3CD_hR18_160_a_b_a_a:Mg-O-Sm-Ti,6.0,AB3CD_hR18_160_a_b_a_a:Mg-O-Sm-Ti +mp-1219216,Sm3MgTi4O14,-8.81532854,-3.5157081546,0.0551565963,0.0551565963,GGA,R-3m,AB14C3D4_hR66_166_a_c2h_d_be:Mg-O-Sm-Ti,22.0,"Invalid WP multiplicities - AB14C3D4_hR66_166_a_c9h_d_be:Mg-O-Sm-Ti, expected Sm3MgTi4O56 to be Sm3MgTi4O14" +mp-1227989,BaSrAl20(CuO17)2,-7.6565123355,-3.261584499,0.0168088874,0.0168088874,GGA,P3m1,A20BC2D34E_hP58_156_3a3b2c4d_a_ab_3a3b4c8d_b:Al-Ba-Cu-O-Sr,58.0,A20BC2D34E_hP58_156_3a3b2c4d_a_ab_3a3b4c8d_b:Al-Ba-Cu-O-Sr +mp-1227842,BaLaTiFeO6,-8.4034561625,-3.1133934086,0.0599513635,0.0599513635,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-La-O-Ti,20.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-La-O-Ti +mp-641117,La5Ti4FeO17,-9.0998525828,-3.5877884016,0.0255800765,0.0255800765,GGA+U,Pnnm,AB5C17D4_oP54_58_a_c2g_b8g_2g:Fe-La-O-Ti,54.0,"Invalid WP multiplicities - AB5C17D4_oP54_58_a_2c6g_2b31g_5g:Fe-La-O-Ti, expected La14Ti10FeO64 to be La5Ti4FeO17" +mp-557631,AgAs(XeF5)2,-3.5136193521,-1.6079898933,0.0051928429,0.0051928429,GGA,I4/mcm,ABC10D2_tI56_140_d_c_fkl_e:Ag-As-F-Xe,28.0,"Invalid WP multiplicities - ABC10D2_tI56_140_d_c_3f6k6l_e:Ag-As-F-Xe, expected AgAs(XeF27)2 to be AgAs(XeF5)2" +mp-28586,AgXeF9,-2.7908829559,-0.9661519667,0.0189408439,0.0189408439,GGA,I4/m,AB9C_tI44_87_c_e2i_e:Ag-F-Xe,22.0,"Invalid WP multiplicities - AB9C_tI44_87_c_e3i_e:Ag-F-Xe, expected AgXeF13 to be AgXeF9" +mp-1212957,Fe4AgXeF5,-5.1401203568,-0.9304649158,0.8369148228000001,0.8369148228000001,GGA+U,I4/m,AB5C4D_tI44_87_c_ei_i_e:Ag-F-Fe-Xe,22.0,AB5C4D_tI44_87_c_ei_i_e:Ag-F-Fe-Xe +mp-1213657,Fe4AgAs(XeF3)2,-5.038485055,-1.258986384,0.4364301217,0.4364301217,GGA+U,I-4c2,ABC6D4E2_tI56_120_d_b_fi_i_e:Ag-As-F-Fe-Xe,28.0,ABC6D4E2_tI56_120_d_b_fi_i_e:Ag-As-F-Fe-Xe +mp-570271,Ti4FeBi2,-7.1215195943,-0.3025242319,0.0,-0.0620383852,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Bi-Fe-Ti,14.0,A2BC4_tI28_140_h_a_k:Bi-Fe-Ti +mp-1217638,Ti3Fe3(BiO3)7,-7.4149011988,-2.1248886539,0.0574872691,0.0574872691,GGA+U,Cm,A7B3C21D3_mC68_8_7a_3a_7a7b_3a:Bi-Fe-O-Ti,34.0,"Invalid WP multiplicities - A7B3C21D3_mC68_8_7a_3a_7a13b_3a:Bi-Fe-O-Ti, expected Ti3Fe3Bi7O33 to be Ti3Fe3(BiO3)7" +mp-1227513,BaTiFe3(BiO4)3,-7.406459092,-2.1011459664,0.0359153967,0.0359153967,GGA+U,R3,AB3C3D12E_hR60_146_a_3a_3a_4b_a:Ba-Bi-Fe-O-Ti,20.0,"Invalid WP multiplicities - AB3C3D12E_hR60_146_a_3a_3a_12b_a:Ba-Bi-Fe-O-Ti, expected BaTiFe3(BiO12)3 to be BaTiFe3(BiO4)3" +mp-1217452,Ti3Fe(BiO3)5,-7.6027817219,-2.3711453228,0.0130261597,0.0130261597,GGA+U,P2_1,A5BC15D3_mP48_4_5a_a_15a_3a:Bi-Fe-O-Ti,48.0,"Invalid WP multiplicities - A5BC15D3_mP48_4_9a_a_29a_5a:Bi-Fe-O-Ti, expected Ti5FeBi9O29 to be Ti3Fe(BiO3)5" +mp-1217245,Ti3Fe(BiO3)5,-7.5734302029,-2.3417938038,0.0423776786,0.0423776786,GGA+U,Cm,A5BC15D3_mC48_8_5a_a_5a5b_3a:Bi-Fe-O-Ti,24.0,"Invalid WP multiplicities - A5BC15D3_mC48_8_5a_a_5a9b_3a:Bi-Fe-O-Ti, expected Ti3FeBi5O23 to be Ti3Fe(BiO3)5" +mp-1208356,Ti4Fe(BiO3)6,-7.633793041,-2.3877474942,0.0566828541,0.0566828541,GGA+U,Fmm2,A6BC18D4_oF116_42_3c_a_b3cd2e_2c:Bi-Fe-O-Ti,29.0,A6BC18D4_oF116_42_3c_a_b3cd2e_2c:Bi-Fe-O-Ti +mp-1217235,Ti4FeBi3O14,-8.0988084657,-2.6066676191,0.0822566231,0.0822566231,GGA+U,R-3m,A3BC14D4_hR66_166_d_a_c2h_be:Bi-Fe-O-Ti,44.0,A3BC14D4_hR66_166_d_a_c2h_be:Bi-Fe-O-Ti +mp-1228452,Ba3Ti3Fe3(BiO9)2,-7.6565540879,-2.4298354823,0.1305167563,0.1305167563,GGA+U,P3m1,A3B2C3D18E3_hP29_156_a2b_ac_abc_6d_abc:Ba-Bi-Fe-O-Ti,29.0,"Invalid WP multiplicities - A3B2C3D18E3_hP29_156_a2b_ac_abc_18d_abc:Ba-Bi-Fe-O-Ti, expected Ba3Ti3Fe3(BiO27)2 to be Ba3Ti3Fe3(BiO9)2" +mp-1179469,TiFe(BiO3)2,-6.968801298,-1.5961389226,0.6081621595000001,0.6081621595000001,GGA+U,P1,A2BC6D_aP10_1_2a_a_6a_a:Bi-Fe-O-Ti,10.0,A2BC6D_aP10_1_2a_a_6a_a:Bi-Fe-O-Ti +mp-550745,TiFe(BiO3)2,-7.5615628047,-2.1889004293,0.0154006528,0.0154006528,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Bi-Fe-O-Ti,40.0,A2BC6D_aP40_1_8a_4a_24a_4a:Bi-Fe-O-Ti +mp-1217937,Ti6Fe(BiO3)9,-6.7863198137000005,-1.577762356,0.884678896,0.884678896,GGA+U,Pmm2,A9BC27D6_oP43_25_2a2b3c2d_a_a5b4cd4i_a2bc2d:Bi-Fe-O-Ti,43.0,A9BC27D6_oP43_25_2a2b3c2d_a_a5b4cd4i_a2bc2d:Bi-Fe-O-Ti +mp-1217427,Ti3Fe2(BiO3)6,-7.4808779159,-2.2150210175,0.0530952895,0.0530952895,GGA+U,Cm,A6B2C18D3_mC58_8_6a_2a_6a6b_3a:Bi-Fe-O-Ti,29.0,"Invalid WP multiplicities - A6B2C18D3_mC58_8_6a_2a_6a8b_3a:Bi-Fe-O-Ti, expected Ti3Fe2(Bi3O11)2 to be Ti3Fe2(BiO3)6" +mp-1214370,BaLiRu5O11,-7.4935458336,-1.6816854819,0.0263140625,0.0263140625,GGA,P6_3/mmc,ABC11D5_hP36_194_c_d_fhk_eg:Ba-Li-O-Ru,36.0,ABC11D5_hP36_194_c_d_fhk_eg:Ba-Li-O-Ru +mp-542122,Ba3LiRu2O9,-7.015275192,-2.2996184475,0.0,-0.0807469321,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Li-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Li-O-Ru +mp-1228318,Ba3LiIrRuO9,-6.9281451753,-2.2415529881,0.0021160388,0.0021160388,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_b_a_3c_b:Ba-Ir-Li-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_b_a_5c_b:Ba-Ir-Li-O-Ru, expected Ba5LiIrRuO15 to be Ba3LiIrRuO9" +mp-1228662,Ba7Li3(RuO5)4,-6.8314775156,-2.267036999,0.0318579006,0.0318579006,GGA,C2,A7B3C20D4_mC68_5_a3c_bc_10c_2c:Ba-Li-O-Ru,34.0,"Invalid WP multiplicities - A7B3C20D4_mC68_5_a3c_bc_17c_2c:Ba-Li-O-Ru, expected Ba7Li3(Ru2O17)2 to be Ba7Li3(RuO5)4" +mp-18713,Ba2Li(CuO2)3,-5.8019966025,-1.8249445172,0.0083821051,0.0083821051,GGA,Fmmm,A2B3CD6_oF96_69_fg_hm_i_np:Ba-Cu-Li-O,24.0,"Invalid WP multiplicities - A2B3CD6_oF96_69_fg_hm_i_2n2p:Ba-Cu-Li-O, expected Ba2Li(CuO4)3 to be Ba2Li(CuO2)3" +mp-1235964,Ba2LiTmCu3O7,-6.1260619457,-2.0441227201,0.1955808783,0.1955808783,GGA,Pm,A2B3CD7E_mP14_6_c_ac_b_a3c_b:Ba-Cu-Li-O-Tm,14.0,"Invalid WP multiplicities - A2B3CD7E_mP14_6_c_ac_b_a5c_b:Ba-Cu-Li-O-Tm, expected Ba2LiTmCu3O11 to be Ba2LiTmCu3O7" +mp-1235204,Ba2LiTmCu3O7,-6.1337579743,-2.0518187487,0.1878848497,0.1878848497,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Li-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Li-O-Tm +mp-1236002,Ba2LiTmCu3O7,-6.1949125014,-2.1129732758,0.1267303226,0.1267303226,GGA,Pmm2,A2B3CD7E_oP14_25_2a_3d_a_2b3c2d_a:Ba-Cu-Li-O-Tm,14.0,A2B3CD7E_oP14_25_2a_3d_a_2b3c2d_a:Ba-Cu-Li-O-Tm +mp-1236092,Ba2LiTmCu3O7,-6.1308721514,-2.0489329258,0.1907706726,0.1907706726,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Li-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Li-O-Tm +mp-1236128,Ba2LiTmCu3O7,-6.1753663364,-2.0934271108,0.1462764876,0.1462764876,GGA,Pmm2,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Li-O-Tm,14.0,"Invalid WP multiplicities - A2B3CD7E_oP14_25_e_bf_a_b2e3f_c:Ba-Cu-Li-O-Tm, expected Ba2LiTmCu3O11 to be Ba2LiTmCu3O7" +mp-1236757,Ba2LiTmCu3O7,-6.1340801721,-2.0521409465,0.1875626519,0.1875626519,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Li-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Li-O-Tm +mp-1518785,NaPrZrNbO6,-8.585835176,-3.1425782774,0.1861955325,0.1861955325,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Pr-Zr +mp-1522970,Sr2CeNbO6,-8.2696383887,-3.3602870518,0.0641987788,0.0641987788,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Ce-Nb-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Ce-Nb-O-Sr +mp-1522818,Sr2CeNbO6,-8.208310524,-3.2989591871,0.1255266436,0.1255266436,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Nb-O-Sr +mp-1522212,SrCeEuNbO6,-9.1481705285,-3.3820683569,0.0474752582,0.0474752582,GGA,P-1,ABCD6E_aP20_2_ah_i_be_6i_i:Ce-Eu-Nb-O-Sr,,"Invalid WP multiplicities - ABCD6E_aP20_2_ah_i_be_12i_i:Ce-Eu-Nb-O-Sr, expected SrCeEuNbO12 to be SrCeEuNbO6" +mp-1522289,SrCeEuNbO6,-9.1035645195,-3.3374623479,0.0920812672,0.0920812672,GGA,P-4n2,ABCD6E_tP20_118_a_c_b_ei_d:Ce-Eu-Nb-O-Sr,20.0,ABCD6E_tP20_118_a_c_b_ei_d:Ce-Eu-Nb-O-Sr +mp-1522354,SrCeEuNbO6,-9.036380246,-3.2702780744,0.1592655407,0.1592655407,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-Eu-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-Eu-Nb-O-Sr +mp-1519024,NaCaHfBiO6,-7.235902696,-2.5553091359,0.152927692,0.152927692,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Hf-Na-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Hf-Na-O +mp-6798,Ba2NaReO6,-7.419707455,-2.6911939924,0.0,-0.0796245121,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Na-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Na-O-Re +mp-1017318,BaNaMg6,-1.4842334519,0.1211641148,0.1764022035,0.1764022035,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Na, expected BaNaMg12 to be BaNaMg6" +mp-1017343,BaNaMg6,-1.4904435925,0.1149539742,0.1701920629,0.1701920629,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Na, expected BaNaMg12 to be BaNaMg6" +mp-2217618,Ba2NaMgReO6,-6.8355991282,-2.3914705213,0.2640904196,0.2640904196,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Na-O-Re,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Na-O-Re, expected Ba2NaMgReO12 to be Ba2NaMgReO6" +mp-2218675,Na5MgReO6,-5.7542518923,-1.8821314331,0.184814296,0.184814296,GGA,Cm,AB5C6D_mC26_8_a_a2b_2a2b_a:Mg-Na-O-Re,13.0,"Invalid WP multiplicities - AB5C6D_mC26_8_a_a3b_2a3b_a:Mg-Na-O-Re, expected Na7MgReO8 to be Na5MgReO6" +mp-1026686,BaNaMg14,-1.5167316325,0.0861071758,0.1279478503,0.1279478503,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Na, expected BaNaMg18 to be BaNaMg14" +mp-1026691,BaNaMg14,-1.5131898819,0.0896489265,0.1314896009,0.1314896009,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Na, expected BaNaMg26 to be BaNaMg14" +mp-1096498,Ba2NaMg,-0.5303864425,1.1598023634,1.1979743085,1.1979743085,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Mg-Na,4.0,A2BC_oI8_71_e_a_b:Ba-Mg-Na +mp-1518023,LiTbPrNiO6,-6.9066516085,-2.2282052416,0.3178372196,0.3178372196,GGA+U,Cccm,ABC6DE_oC40_66_e_f_k2l_a_b:Li-Ni-O-Pr-Tb,20.0,"Invalid WP multiplicities - ABC6DE_oC40_66_e_f_k3l_a_b:Li-Ni-O-Pr-Tb, expected LiTbPrNiO8 to be LiTbPrNiO6" +mp-1520242,BaNaPrSeO6,-6.466530097,-2.3466851236,0.1322882731,0.1322882731,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-Se,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-Se +mp-1521257,Ba2PrSeO6,-6.771217645,-2.591727707,0.1346878699,0.1346878699,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Se,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Se +mp-1521082,Ba2PrSeO6,-6.763917798,-2.58442786,0.1419877169,0.1419877169,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Se,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Se +mp-33606,Ba(PrSe2)2,-5.8327362464,-2.1949601949,0.0067633791,0.0067633791,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ba-Pr-Se,14.0,AB2C4_tI28_122_a_d_e:Ba-Pr-Se +mp-1209738,Pr2Cu(GeO4)2,-7.4641946542,-2.6579959173,0.0,-0.1125650203,GGA,Cm,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Pr,26.0,AB2C8D2_mC52_8_b_2ab_4a6b_2b:Cu-Ge-O-Pr +mp-18637,Na2Cu3(GeO3)4,-6.186548931,-1.7677371904,0.0407006333,0.0407006333,GGA,P-1,A3B4C2D12_aP21_2_ai_2i_i_6i:Cu-Ge-Na-O,21.0,"Invalid WP multiplicities - A3B4C2D12_aP21_2_ai_2i_i_7i:Cu-Ge-Na-O, expected Na2Cu3(Ge2O7)2 to be Na2Cu3(GeO3)4" +mp-1517440,BaNdCrSnO6,-7.7143778,-2.7113904035000003,0.1540284828,0.1540284828,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Nd-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Nd-O-Sn +mp-18804,BaDyCo4O7,-7.4240590442,-2.0713010489,0.0200617655,0.0200617655,GGA+U,P6_3mc,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Dy-O,26.0,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Dy-O +mp-1214700,Ba2Dy2Co4O11,-7.3529560479,-2.3056733866,0.1011003982,0.1011003982,GGA+U,Pmmm,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Dy-O,19.0,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Dy-O +mp-1523033,SrDy(CoO3)4,-6.6304237444,-1.403211744,0.2696411865,0.2696411865,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Dy-O-Sr,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Dy-O-Sr, expected SrDy(CoO4)4 to be SrDy(CoO3)4" +mp-1218284,SrDyCoO4,-7.437079885,-2.6954580374,0.11601655,0.11601655,GGA+U,Cmcm,ABC4D_oC28_63_c_c_2cd_c:Co-Dy-O-Sr,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_c_4cd_c:Co-Dy-O-Sr, expected SrDyCoO6 to be SrDyCoO4" +mp-19364,BaDy2CoO5,-7.8571419831,-3.0822186529,0.0710766744,0.0710766744,GGA+U,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Co-Dy-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_62_c_c_5c_3c13d:Ba-Co-Dy-O, expected BaDy5CoO29 to be BaDy2CoO5" +mp-19164,BaDy2CoO5,-7.92455646,-3.1496331299,0.0036621974,0.0036621974,GGA+U,Immm,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Dy-O,9.0,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Dy-O +mp-1228722,Ba4Sr2Dy2Co4O15,-7.1485078974,-2.5965796679,0.0022777035,0.0022777035,GGA+U,Cc,A4B4C2D15E2_mC108_9_4a_4a_2a_15a_2a:Ba-Co-Dy-O-Sr,54.0,"Invalid WP multiplicities - A4B4C2D15E2_mC108_9_7a_7a_4a_30a_2a:Ba-Co-Dy-O-Sr, expected Ba7Sr2Dy4Co7O30 to be Ba4Sr2Dy2Co4O15" +mp-1521027,BaDy(CoO3)4,-6.6140784028,-1.3741174308000002,0.2941682315,0.2941682315,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Co-Dy-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Co-Dy-O, expected BaDy(CoO4)4 to be BaDy(CoO3)4" +mp-1200345,Na4Ce2(Si4O11)3,-7.7005059667,-2.886764333,0.138528078,0.138528078,GGA,Pmm2,A2B4C33D12_oP51_25_e_fh_a3e3fgh4i_2e2i:Ce-Na-O-Si,51.0,A2B4C33D12_oP51_25_e_fh_a3e3fgh4i_2e2i:Ce-Na-O-Si +mp-1521536,Sr2NdNbO6,-8.1508048927,-3.3579477281,0.0523226711,0.0523226711,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Nb-Nd-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Nb-Nd-O-Sr +mp-1207215,Sr2NdNbO6,-8.072949757,-3.2800925923,0.1301778069,0.1301778069,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Nb-Nd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Nb-Nd-O-Sr +mp-1218643,Sr3Nd2Nb10O30,-9.0783174376,-3.2112399495,0.058445288,0.058445288,GGA,Amm2,A10B2C30D3_oC90_38_2b4e_d_2a2b4d9e_ad:Nb-Nd-O-Sr,45.0,"Invalid WP multiplicities - A10B2C30D3_oC90_38_2b8e_d_2a2b8d17e_ad:Nb-Nd-O-Sr, expected Sr3Nd2Nb18O54 to be Sr3Nd2Nb10O30" +mp-1522395,BaSrNdNbO6,-8.188487803,-3.3726824897,0.0267228787,0.0267228787,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Nb-Nd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Nb-Nd-O-Sr, expected BaSrNdNbO12 to be BaSrNdNbO6" +mp-1522453,BaSrNdNbO6,-8.176605378,-3.3608000647000003,0.0386053037,0.0386053037,GGA,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:Ba-Nb-Nd-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_f_6m_2c2d:Ba-Nb-Nd-O-Sr, expected BaSr2NdNbO12 to be BaSrNdNbO6" +mp-1522306,BaSrNdNbO6,-8.13364648,-3.3178411667,0.0815642017,0.0815642017,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Nb-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Nb-Nd-O-Sr +mp-1209247,RbNd(MoO4)2,-8.09405897,-2.5096013521,0.0233307367,-0.0160134092,GGA+U,C2/c,A2BC8D_mC48_15_f_e_4f_e:Mo-Nd-O-Rb,24.0,A2BC8D_mC48_15_f_e_4f_e:Mo-Nd-O-Rb +mp-1200745,RbNd(MoO4)2,-8.1173897067,-2.5329320888,0.0,-0.0393441458,GGA+U,Pbcn,A2BC8D_oP48_60_d_c_4d_c:Mo-Nd-O-Rb,48.0,A2BC8D_oP48_60_d_c_4d_c:Mo-Nd-O-Rb +mp-532538,Rb5NdHf(MoO4)6,-7.9205310177,-2.422627327,0.0,-0.0007176428,GGA+U,R-3c,AB6CD24E5_hR222_167_a_f_b_4f_ce:Hf-Mo-Nd-O-Rb,74.0,"Invalid WP multiplicities - AB6CD24E5_hR222_167_a_f_b_33f_3c2e:Hf-Mo-Nd-O-Rb, expected Rb12NdHf(MoO33)6 to be Rb5NdHf(MoO4)6" +mp-1519816,BaEuBiSbO6,-7.431311520499999,-2.4487515828,0.0326602753,0.0326602753,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Eu-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Eu-O-Sb, expected BaEuBiSbO12 to be BaEuBiSbO6" +mp-1519850,BaEuBiSbO6,-7.366104307,-2.3835443693,0.0978674888,0.0978674888,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sb +mp-2233424,NaMgCr3O8,-7.4403418177,-1.9437681682,0.2824841571,0.2824841571,GGA+U,C2,A3BCD8_mC26_5_bc_a_a_4c:Cr-Mg-Na-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_5_b2c_a_a_4c:Cr-Mg-Na-O, expected NaMgCr5O8 to be NaMgCr3O8" +mp-2227683,NaMgCr3O8,-7.5354300062,-2.0388563567,0.1873959686,0.1873959686,GGA+U,Cm,A3BCD8_mC26_8_3a_a_a_4a2b:Cr-Mg-Na-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_3a_a_a_4a3b:Cr-Mg-Na-O, expected NaMgCr3O10 to be NaMgCr3O8" +mp-2226898,NaMgCr3O8,-7.4643346992,-1.9677610497,0.2584912755,0.2584912755,GGA+U,Cm,A3BCD8_mC26_8_3a_a_a_4a2b:Cr-Mg-Na-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_3a_a_a_4a3b:Cr-Mg-Na-O, expected NaMgCr3O10 to be NaMgCr3O8" +mp-2218317,Pr2MgCr2O8,-8.1889514869,-2.8011287031,0.1305144625,0.1305144625,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Pr,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Cr-Mg-O-Pr, expected Pr2MgCr2O16 to be Pr2MgCr2O8" +mp-1017309,NaMg6Cr,-2.3588706694,0.2132859636,0.231236583,0.231236583,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Na, expected NaMg12Cr to be NaMg6Cr" +mp-1017317,NaMg6Cr,-2.3557597575,0.2163968754,0.2343474949,0.2343474949,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Na, expected NaMg12Cr to be NaMg6Cr" +mp-1034602,NaMg14CrO16,-6.4344838731,-2.9180303468,0.0369107274,0.0369107274,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cr-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cr-Mg-Na-O, expected NaMg18CrO20 to be NaMg14CrO16" +mp-1034594,NaMg14CrO16,-6.4258973344,-2.909443808,0.0454972662,0.0454972662,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cr-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cr-Mg-Na-O, expected NaMg30CrO32 to be NaMg14CrO16" +mp-2232319,Na4MgCr2O8,-6.3314697007,-1.9468039771,0.2140799949,0.2140799949,GGA+U,P-1,A2BC4D8_aP15_2_i_a_2i_4i:Cr-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_i_a_3i_7i:Cr-Mg-Na-O, expected Na6MgCr2O14 to be Na4MgCr2O8" +mp-2232615,Na4MgCr2O8,-6.3812150473,-1.9965493237,0.1643346483,0.1643346483,GGA+U,Pm,A2BC4D8_mP15_6_ab_a_abc_2a2b2c:Cr-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC4D8_mP15_6_ab_a_abc_2a2b3c:Cr-Mg-Na-O, expected Na4MgCr2O10 to be Na4MgCr2O8" +mp-2232165,Na4MgCr2O8,-6.3037553527,-1.9190896291,0.2417943429,0.2417943429,GGA+U,C2/m,A2BC4D8_mC30_12_i_b_aci_2ij:Cr-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_12_i_b_aci_4ij:Cr-Mg-Na-O, expected Na4MgCr2O12 to be Na4MgCr2O8" +mp-2232352,Na4MgCr2O8,-6.3987140887,-2.0140483651,0.1468356069,0.1468356069,GGA+U,Amm2,A2BC4D8_oC30_38_ab_a_abc_2cde:Cr-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC4D8_oC30_38_ab_a_abc_3c2d2e:Cr-Mg-Na-O, expected Na4MgCr2O14 to be Na4MgCr2O8" +mp-1026680,NaMg14Cr,-1.9769523688,0.1092659727,0.130208362,0.130208362,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Na, expected NaMg18Cr to be NaMg14Cr" +mp-1026656,NaMg14Cr,-1.9803294688,0.1058888727,0.126831262,0.126831262,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Na, expected NaMg26Cr to be NaMg14Cr" +mp-1030818,NaMg6CrO8,-6.5107565381,-2.751333866,0.104507983,0.104507983,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cr-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cr-Mg-Na-O, expected NaMg6CrO12 to be NaMg6CrO8" +mp-1030819,NaMg6CrO8,-6.5134354237,-2.7540127517,0.1018290973,0.1018290973,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cr-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cr-Mg-Na-O, expected NaMg6CrO12 to be NaMg6CrO8" +mp-2231606,Na8MgCr2O8,-5.5395067221000005,-1.7995021417,0.1556920976,0.1556920976,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Cr-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Cr-Mg-Na-O +mp-2230777,Na8MgCr2O8,-5.5326378221,-1.7926332417,0.1625609976,0.1625609976,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Cr-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Cr-Mg-Na-O +mp-1522964,PrMgCr4O12,-7.8397942906,-2.0423698339,0.2807509658,0.2807509658,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Cr-Mg-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Cr-Mg-O-Pr, expected PrMgCr4O18 to be PrMgCr4O12" +mp-1039737,NaMg30CrO32,-6.3885141569,-2.9935452034,0.0109454834,0.0109454834,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cr-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cr-Mg-Na-O, expected NaMg90CrO80 to be NaMg30CrO32" +mp-1039764,NaMg30CrO32,-6.3852779609,-2.9903090074,0.0141816793,0.0141816793,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cr-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cr-Mg-Na-O, expected NaMg110CrO72 to be NaMg30CrO32" +mp-1518772,NaLaDyFeO6,-7.42307438,-2.5215271084,0.1784796953,0.1784796953,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Dy-Fe-La-Na-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Dy-Fe-La-Na-O +mp-1022148,SrMg6Cu,-1.8551884969,0.068609056,0.1560750786,0.1560750786,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Sr, expected SrMg12Cu to be SrMg6Cu" +mp-1022174,SrMg6Cu,-1.8609406875,0.0628568654,0.150322888,0.150322888,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Sr, expected SrMg12Cu to be SrMg6Cu" +mp-2224190,SrMgCu2O3,-5.5758373286000005,-1.8146583318,0.2461315293,0.2461315293,GGA,Pmmm,A2BC3D_oP7_47_k_d_ei_c:Cu-Mg-O-Sr,7.0,A2BC3D_oP7_47_k_d_ei_c:Cu-Mg-O-Sr +mp-2225330,SrMgCu2O3,-4.86319934,-1.1020203433,0.9587695179,0.9587695179,GGA,Cmmm,A2BC3D_oC14_65_g_b_ag_c:Cu-Mg-O-Sr,7.0,A2BC3D_oC14_65_g_b_ag_c:Cu-Mg-O-Sr +mp-2240835,SrMgCuO2,-5.017227392,-1.5607558728000002,0.891951044,0.891951044,GGA,Pmm2,ABC2D_oP5_25_a_b_ac_d:Cu-Mg-O-Sr,5.0,ABC2D_oP5_25_a_b_ac_d:Cu-Mg-O-Sr +mp-1035266,Mg14CuBiO16,-6.1267939981,-2.7052116269,0.1274533125,0.1274533125,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-Cu-Mg-O, expected Mg18CuBiO20 to be Mg14CuBiO16" +mp-1035292,Mg14CuBiO16,-6.1290167941,-2.7074344228,0.1252305165,0.1252305165,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-Cu-Mg-O, expected Mg30CuBiO32 to be Mg14CuBiO16" +mp-1022056,Mg6CuBi,-2.1778452881,0.0148267244,0.1347269583,0.1347269583,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-Cu-Mg, expected Mg12CuBi to be Mg6CuBi" +mp-1022058,Mg6CuBi,-2.1961414562,-0.0034694437,0.1164307902,0.1164307902,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-Cu-Mg, expected Mg12CuBi to be Mg6CuBi" +mp-1044003,MgCuBiO5,-5.8020825531,-1.5179051273000002,0.1039497969,0.1039497969,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Cu-Mg-O, expected MgCuBiO15 to be MgCuBiO5" +mp-1328326,MgCuBiO5,-5.7926493692,-1.5084719434,0.1133829808,0.1133829808,GGA,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Cu-Mg-O, expected MgCuBiO31 to be MgCuBiO5" +mp-1042728,MgCu3(BiO3)4,-5.7601322415,-1.3291261858,0.1634249855,0.1634249855,GGA,Im-3,A4B3CD12_cI40_204_c_b_a_g:Bi-Cu-Mg-O,20.0,A4B3CD12_cI40_204_c_b_a_g:Bi-Cu-Mg-O +mp-1047773,MgCuBi2O7,-5.7551082767,-1.3908095531,0.1916870364,0.1916870364,GGA,P2/c,A2BCD7_mP66_13_3g_eg_eg_f10g:Bi-Cu-Mg-O,66.0,"Invalid WP multiplicities - A2BCD7_mP66_13_9g_2e3g_2e3g_2f38g:Bi-Cu-Mg-O, expected Mg4Cu4(Bi3O13)3 to be MgCuBi2O7" +mp-1034401,SrMg14BiO16,-6.0495272878,-2.7032484546,0.2549347178,0.2549347178,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Sr, expected SrMg18BiO20 to be SrMg14BiO16" +mp-1034358,SrMg14BiO16,-6.0674738353,-2.7211950021,0.2369881703,0.2369881703,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Sr, expected SrMg30BiO32 to be SrMg14BiO16" +mp-2241474,Sr2MgCu2(BiO4)2,-5.5967768033,-1.5679655869,0.511707943,0.511707943,GGA,I-4m2,A2B2CD8E2_tI30_119_e_e_c_2e2f_e:Bi-Cu-Mg-O-Sr,15.0,"Invalid WP multiplicities - A2B2CD8E2_tI30_119_e_e_c_3e4f_e:Bi-Cu-Mg-O-Sr, expected Sr2MgCu2(BiO7)2 to be Sr2MgCu2(BiO4)2" +mp-2232309,Sr2MgCu2(BiO4)2,-5.9597157733,-1.9309045569,0.148768973,0.148768973,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Mg-O-Sr,15.0,"Invalid WP multiplicities - A2B2CD8E2_tI30_139_e_e_a_3e2g_e:Bi-Cu-Mg-O-Sr, expected Sr2MgCu2(BiO7)2 to be Sr2MgCu2(BiO4)2" +mp-1026891,SrMg14Cu,-1.7098158263,0.0522229752,0.106555493,0.106555493,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Sr, expected SrMg18Cu to be SrMg14Cu" +mp-1026873,SrMg14Cu,-1.6945682825,0.067470519,0.1218030367,0.1218030367,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Sr, expected SrMg26Cu to be SrMg14Cu" +mp-1032276,SrMg6CuO8,-6.0351292506,-2.5998861185,0.2103905222,0.2103905222,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Sr, expected SrMg6CuO12 to be SrMg6CuO8" +mp-1032277,SrMg6CuO8,-6.0300381869,-2.5947950548,0.2154815859,0.2154815859,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Sr, expected SrMg6CuO12 to be SrMg6CuO8" +mp-2228873,Sr4Mg(Cu2O5)2,-5.8763620442,-1.9699426939,0.1530591329,0.1530591329,GGA,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Cu-Mg-O-Sr,,A4BC10D4_aP19_1_4a_a_10a_4a:Cu-Mg-O-Sr +mp-2228886,Sr4Mg(Cu2O5)2,-5.8924100837,-1.9859907334,0.1370110934,0.1370110934,GGA,Cm,A4BC10D4_mC38_8_2ab_a_2a4b_2b:Cu-Mg-O-Sr,,"Invalid WP multiplicities - A4BC10D4_mC38_8_2ab_a_2a6b_3b:Cu-Mg-O-Sr, expected Sr6Mg(Cu2O7)2 to be Sr4Mg(Cu2O5)2" +mp-1040980,MgCu2(BiO4)2,-5.7610480973,-1.3723418404,0.1169735944,0.1169735944,GGA,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:Bi-Cu-Mg-O,52.0,"Invalid WP multiplicities - A2B2CD8_mP52_14_5e_6e_e_26e:Bi-Cu-Mg-O, expected MgCu6Bi5O26 to be MgCu2(BiO4)2" +mp-1038678,SrMg30BiO32,-6.1953255052,-2.8854438982,0.1206678377,0.1206678377,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Sr, expected SrMg110BiO72 to be SrMg30BiO32" +mp-1038657,SrMg30BiO32,-6.1872440759,-2.877362469,0.1287492669,0.1287492669,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Sr, expected SrMg90BiO80 to be SrMg30BiO32" +mp-2218800,Sr2Mg(Cu2O3)2,-5.4345256331,-1.5071236404,0.3909343999999999,0.3909343999999999,GGA,Pmm2,A4BC6D2_oP13_25_ef_a_adef_bc:Cu-Mg-O-Sr,13.0,"Invalid WP multiplicities - A4BC6D2_oP13_25_ef_a_ad2e2f_bc:Cu-Mg-O-Sr, expected Sr2Mg(Cu2O5)2 to be Sr2Mg(Cu2O3)2" +mp-2218648,Sr2Mg(Cu2O3)2,-5.6831648715,-1.7557628789000002,0.1422951615,0.1422951615,GGA,Cmmm,A4BC6D2_oC26_65_2h_a_3h_g:Cu-Mg-O-Sr,13.0,"Invalid WP multiplicities - A4BC6D2_oC26_65_2h_a_4h_g:Cu-Mg-O-Sr, expected Sr2Mg(CuO2)4 to be Sr2Mg(Cu2O3)2" +mp-2217396,Sr2Mg(CuO2)2,-5.6184191456,-1.9557041298,0.3482333322,0.3482333322,GGA,Pm,A2BC4D2_mP9_6_ab_a_2a2b_ab:Cu-Mg-O-Sr,9.0,A2BC4D2_mP9_6_ab_a_2a2b_ab:Cu-Mg-O-Sr +mp-2222920,Sr2Mg(CuO2)2,-5.5181290422,-1.8554140265,0.4485234356,0.4485234356,GGA,Amm2,A2BC4D2_oC18_38_ab_a_2a2b_ab:Cu-Mg-O-Sr,9.0,A2BC4D2_oC18_38_ab_a_2a2b_ab:Cu-Mg-O-Sr +mp-2240714,Sr2Mg(CuO2)2,-5.7394035267,-2.0766885109,0.2272489511,0.2272489511,GGA,Immm,A2BC4D2_oI18_71_e_a_ef_e:Cu-Mg-O-Sr,9.0,A2BC4D2_oI18_71_e_a_ef_e:Cu-Mg-O-Sr +mp-2227752,Sr2MgCuO4,-5.81584278,-2.207689221,0.3842404238,0.3842404238,GGA,C2/m,ABC4D2_mC16_12_a_c_ei_i:Cu-Mg-O-Sr,8.0,"Invalid WP multiplicities - ABC4D2_mC16_12_c_b_2ei_i:Cu-Mg-O-Sr, expected Sr2MgCuO6 to be Sr2MgCuO4" +mp-2226548,Sr2MgCuO4,-5.8407223437,-2.2325687848,0.35936086,0.35936086,GGA,I-4m2,ABC4D2_tI16_119_a_c_ef_e:Cu-Mg-O-Sr,8.0,"Invalid WP multiplicities - ABC4D2_tI16_119_a_c_e2f_e:Cu-Mg-O-Sr, expected Sr2MgCuO6 to be Sr2MgCuO4" +mp-1037183,Mg30CuBiO32,-6.2312447336,-2.8837113577,0.0596412617,0.0596412617,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-Cu-Mg-O, expected Mg110CuBiO72 to be Mg30CuBiO32" +mp-1037154,Mg30CuBiO32,-6.2307818736,-2.8832484977,0.0601041217,0.0601041217,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-Cu-Mg-O, expected Mg90CuBiO80 to be Mg30CuBiO32" +mp-2232150,MgCu2(BiO2)4,-5.453875942,-1.138265302,0.5073295825,0.5073295825,GGA,Fmm2,A4B2CD8_oF60_42_cd_b_a_2e:Bi-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_3c_2a_b_8c:Bi-Cu-Mg-O, expected MgCu2(Bi3O8)2 to be MgCu2(BiO2)4" +mp-1069695,Sr(MgBi)2,-3.108692744,-0.5944863813,0.0,-0.1379307859,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Bi-Mg-Sr,5.0,A2B2C_hP5_164_d_d_a:Bi-Mg-Sr +mp-1016352,SrMg6Bi,-1.9381128725,-0.0466550121,0.2010008245,0.2010008245,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Sr, expected SrMg12Bi to be SrMg6Bi" +mp-1016359,SrMg6Bi,-1.9519093981,-0.0604515377,0.1872042989,0.1872042989,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Sr, expected SrMg12Bi to be SrMg6Bi" +mp-2240711,Sr2MgCu3O5,-5.69851596,-1.8793950034,0.1880115136,0.1880115136,GGA,P1,A3BC5D2_aP11_1_3a_a_5a_2a:Cu-Mg-O-Sr,,A3BC5D2_aP11_1_3a_a_5a_2a:Cu-Mg-O-Sr +mp-2240664,Sr2MgCu3O5,-5.7332975509,-1.9141765943,0.1532299227,0.1532299227,GGA,Pmmm,A3BC5D2_oP11_47_cj_f_aij_k:Cu-Mg-O-Sr,,A3BC5D2_oP11_47_cj_f_aij_k:Cu-Mg-O-Sr +mp-1026580,SrMg14Bi,-1.7688023269,-0.0229333717,0.111275014,0.111275014,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Sr, expected SrMg18Bi to be SrMg14Bi" +mp-1026550,SrMg14Bi,-1.7214893975,0.0243795577,0.1585879433,0.1585879433,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Sr, expected SrMg26Bi to be SrMg14Bi" +mp-30449,MgCuBi,-3.30552291,-0.12553096,0.0059562783,0.0059562783,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Cu-Mg,3.0,ABC_cF12_216_a_c_b:Bi-Cu-Mg +mp-1037249,SrMg30CuO32,-6.2593651564,-2.9454410879,0.0476582968,0.0476582968,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Sr, expected SrMg90CuO80 to be SrMg30CuO32" +mp-1037310,SrMg30CuO32,-6.2557112717,-2.9417872032,0.0513121815,0.0513121815,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Sr, expected SrMg110CuO72 to be SrMg30CuO32" +mp-1033410,SrMg6BiO8,-5.9116676969,-2.492594411,0.3697316344,0.3697316344,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Sr, expected SrMg6BiO12 to be SrMg6BiO8" +mp-1033482,SrMg6BiO8,-5.8321946188,-2.4131213329,0.4492047126,0.4492047126,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Sr, expected SrMg6BiO12 to be SrMg6BiO8" +mp-2242277,Sr2MgCuO3,-5.6542290571,-2.2372948057,0.3939892757,0.3939892757,GGA,Pm,ABC3D2_mP7_6_a_b_a2b_ab:Cu-Mg-O-Sr,7.0,ABC3D2_oP7_25_b_c_abc_bc:Cu-Mg-O-Sr +mp-2227095,Sr2MgCuO3,-5.3985778614,-1.9816436099,0.6496404714,0.6496404714,GGA,Imm2,ABC3D2_oI14_44_a_b_ac_c:Cu-Mg-O-Sr,7.0,ABC3D2_oI14_44_a_b_ac_c:Cu-Mg-O-Sr +mp-1035243,SrMg14CuO16,-6.1819141644,-2.827550408,0.104608062,0.104608062,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Sr, expected SrMg18CuO20 to be SrMg14CuO16" +mp-1035219,SrMg14CuO16,-6.1744790694,-2.820115313,0.112043157,0.112043157,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Sr, expected SrMg30CuO32 to be SrMg14CuO16" +mp-1032201,Mg6CuBiO8,-5.9743830531,-2.4047026912,0.206586888,0.206586888,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-Cu-Mg-O, expected Mg6CuBiO12 to be Mg6CuBiO8" +mp-1032207,Mg6CuBiO8,-5.926090675,-2.3564103131,0.2548792662,0.2548792662,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-Cu-Mg-O, expected Mg6CuBiO12 to be Mg6CuBiO8" +mp-1026898,Mg14CuBi,-1.8932167456,0.0032592856,0.0755013119,0.0755013119,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-Cu-Mg, expected Mg18CuBi to be Mg14CuBi" +mp-1026895,Mg14CuBi,-1.89933151,-0.0028554787,0.0693865475,0.0693865475,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-Cu-Mg, expected Mg26CuBi to be Mg14CuBi" +mp-1323783,Ca3Fe2(MoO6)2,-7.8731012563,-2.3989745818,0.0753085357,0.0753085357,GGA+U,P1,A3B2C2D12_aP19_1_3a_2a_2a_12a:Ca-Fe-Mo-O,19.0,A3B2C2D12_aP19_1_3a_2a_2a_12a:Ca-Fe-Mo-O +mp-1214052,CaFe(MoO3)2,-8.216099568,-2.0313942103,0.1818284682,0.1818284682,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Ca-Fe-Mo-O,20.0,ABC2D6_mP20_14_a_b_e_3e:Ca-Fe-Mo-O +mp-1228602,Ca3LaFe2(MoO6)2,-7.900363725,-2.453143029,0.1917053454,0.1917053454,GGA+U,P1,A3B2CD2E12_aP20_1_3a_2a_a_2a_12a:Ca-Fe-La-Mo-O,20.0,A3B2CD2E12_aP20_1_3a_2a_a_2a_12a:Ca-Fe-La-Mo-O +mp-1394560,CaLa2MoO6,-8.410647302,-3.1703076552,0.0772161374,0.0772161374,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Ca-La-Mo-O,10.0,AB2CD6_hR30_148_a_c_b_f:Ca-La-Mo-O +mp-18783,Ca2FeMoO6,-7.849526644,-2.5488263092,0.003955293,0.003955293,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Fe-Mo-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Ca-Fe-Mo-O +mp-1044000,CaLaFeMoO6,-8.3078347035,-2.7140936462000003,0.0228215003,0.0228215003,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Mo-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Ca-Fe-La-Mo-O, expected CaLaFeMoO10 to be CaLaFeMoO6" +mp-1043101,Ca3Fe4(MoO4)6,-8.2029876514,-2.1572764565,0.0807974919,0.0807974919,GGA+U,P-1,A3B4C6D24_aP37_2_ai_2i_3i_12i:Ca-Fe-Mo-O,37.0,"Invalid WP multiplicities - A3B4C6D24_aP37_2_ai_2i_5i_13i:Ca-Fe-Mo-O, expected Ca3Fe4(Mo5O13)2 to be Ca3Fe4(MoO4)6" +mp-1368738,CaFeMoO6,-7.7002466239,-2.0334240164,0.2012970506,0.2012970506,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Ca-Fe-Mo-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_10a:Ca-Fe-Mo-O, expected CaFeMoO10 to be CaFeMoO6" +mp-22973,NaMnBi,-4.7671275883,0.0078823168,0.2192256424,0.2192256424,GGA,P4/nmm,ABC_tP6_129_c_a_c:Bi-Mn-Na,6.0,ABC_tP6_129_c_a_c:Bi-Mn-Na +mp-1120814,NaMn2BiO6,-7.08665209,-1.7699343625,0.0954465077,0.0954465077,GGA+U,R3,AB2CD6_hR30_146_a_2a_a_2b:Bi-Mn-Na-O,10.0,AB2CD6_hR30_146_a_2a_a_2b:Bi-Mn-Na-O +mp-1518849,BaNaMnBiO6,-6.456881939,-1.8644682467,0.1744587995,0.1744587995,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Mn-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Mn-Na-O +mp-997585,La8Al7GaO24,-8.3163788308,-3.6299860122,0.0190064884,0.0190064884,GGA,Pm-3m,A7BC8D24_cP40_221_acd_b_g_efh:Al-Ga-La-O,40.0,"Invalid WP multiplicities - A7BC8D24_cP40_221_a2c2d_b_g_5e5f6h:Al-Ga-La-O, expected La8Al13GaO132 to be La8Al7GaO24" +mp-1223112,La3Al2Ga3SnO14,-7.6309295109,-3.0810740824,0.0019026351,0.0019026351,GGA,P321,A2B3C3D14E_hP23_150_d_f_e_d2g_a:Al-Ga-La-O-Sn,23.0,A2B3C3D14E_hP23_150_d_f_e_d2g_a:Al-Ga-La-O-Sn +mp-6788,La3Ga5SnO14,-7.3204304317,-2.8329645517,0.0,-0.005072725,GGA,P321,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Sn,23.0,"Invalid WP multiplicities - A5B3C14D_hP23_150_df_e_d3g_a:Ga-La-O-Sn, expected La3Ga5SnO20 to be La3Ga5SnO14" +mp-2232255,BaSrMg(FeO2)4,-7.257979648,-2.0138234498,0.190687456,0.190687456,GGA+U,Cm,AB4CD8E_mC30_8_a_2b_a_2a3b_a:Ba-Fe-Mg-O-Sr,15.0,"Invalid WP multiplicities - AB4CD8E_mC30_8_a_3b_a_2a4b_a:Ba-Fe-Mg-O-Sr, expected BaSrMg(Fe3O5)2 to be BaSrMg(FeO2)4" +mp-2232095,BaSrMg(FeO2)4,-7.2817704373,-2.0376142391,0.1668966666,0.1668966666,GGA+U,Cm,AB4CD8E_mC30_8_a_2b_a_2a3b_a:Ba-Fe-Mg-O-Sr,15.0,"Invalid WP multiplicities - AB4CD8E_mC30_8_a_3b_a_2a4b_a:Ba-Fe-Mg-O-Sr, expected BaSrMg(Fe3O5)2 to be BaSrMg(FeO2)4" +mp-2232119,BaSrMg(FeO2)4,-7.170650442,-1.9264942438,0.278016662,0.278016662,GGA+U,P312,AB4CD8E_hP15_149_c_gi_b_ael_d:Ba-Fe-Mg-O-Sr,15.0,AB4CD8E_hP15_149_c_gi_b_ael_d:Ba-Fe-Mg-O-Sr +mp-2232097,BaSrMg(FeO2)4,-7.1618206107,-1.9176644124,0.2868464933,0.2868464933,GGA+U,P31m,AB4CD8E_hP15_157_a_2b_a_b2c_a:Ba-Fe-Mg-O-Sr,15.0,"Invalid WP multiplicities - AB4CD8E_hP15_157_a_3b_a_b2c_a:Ba-Fe-Mg-O-Sr, expected BaSrMg(Fe3O4)2 to be BaSrMg(FeO2)4" +mp-1034712,BaSrMg14O16,-6.0462457441,-2.7600142293000003,0.2811463981,0.2811463981,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Sr, expected BaSrMg18O20 to be BaSrMg14O16" +mp-1034518,BaSrMg14O16,-6.0854516856,-2.7992201708,0.2419404566,0.2419404566,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Sr, expected BaSrMg30O32 to be BaSrMg14O16" +mp-1033527,BaSrMg6O8,-5.9522999294000005,-2.6533212804,0.374959675,0.374959675,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Sr, expected BaSrMg6O12 to be BaSrMg6O8" +mp-1033542,BaSrMg6O8,-5.8128730269,-2.5138943779,0.5143865775,0.5143865775,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Sr, expected BaSrMg6O12 to be BaSrMg6O8" +mp-1038708,BaSrMg30O32,-6.2141617936,-2.9343038459,0.1132966175,0.1132966175,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Sr, expected BaSrMg110O72 to be BaSrMg30O32" +mp-1038688,BaSrMg30O32,-6.194077633,-2.9142196853,0.1333807781,0.1333807781,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Sr, expected BaSrMg90O80 to be BaSrMg30O32" +mp-774479,LiCa2Ta3O10,-8.998636361900001,-3.3136149476,0.0683564184,0.0683564184,GGA,I-4m2,A2BC10D3_tI32_119_e_c_2e3f_ae:Ca-Li-O-Ta,16.0,"Invalid WP multiplicities - A2BC10D3_tI32_119_e_c_4e5f_ae:Ca-Li-O-Ta, expected LiCa2Ta3O18 to be LiCa2Ta3O10" +mp-15902,Li2Ca2Ta3O10,-8.6734710476,-3.2105730773,0.0400671972,0.0400671972,GGA,I4/mmm,A2B2C10D3_tI34_139_e_d_c2eg_ae:Ca-Li-O-Ta,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_d_2c2e3g_a2e:Ca-Li-O-Ta, expected Li2Ca2Ta5O20 to be Li2Ca2Ta3O10" +mp-677136,LiCa3Zr3TaO12,-8.7785779445,-3.5392346164,0.0052496643,0.0052496643,GGA,P2_1,A3BC12DE3_mP40_4_3a_a_12a_a_3a:Ca-Li-O-Ta-Zr,40.0,"Invalid WP multiplicities - A3BC12DE3_mP40_4_5a_a_23a_a_6a:Ca-Li-O-Ta-Zr, expected LiCa5Zr6TaO23 to be LiCa3Zr3TaO12" +mp-1194523,Li2CaTa2O7,-8.5577154921,-3.2105636711,0.0,-0.0071095035,GGA,Pnma,AB2C7D2_oP48_62_c_d_c3d_d:Ca-Li-O-Ta,48.0,AB2C7D2_oP48_62_c_d_c3d_d:Ca-Li-O-Ta +mp-1190183,Li2CaTa2O7,-8.5522282617,-3.2050764407,0.0054872304,-0.0016222731,GGA,Cmcm,AB2C7D2_oC48_63_c_e_c2eg_g:Ca-Li-O-Ta,24.0,AB2C7D2_oC48_63_c_e_c2eg_g:Ca-Li-O-Ta +mp-557861,Li2CaTa2O7,-8.5313868383,-3.1842350173,0.0263286538,0.0192191502,GGA,I4/mmm,AB2C7D2_tI24_139_a_d_beg_e:Ca-Li-O-Ta,12.0,"Invalid WP multiplicities - AB2C7D2_tI24_139_a_d_b2e3g_e:Ca-Li-O-Ta, expected Li2CaTa2O17 to be Li2CaTa2O7" +mp-756837,Ca4Zr3TaO12,-8.803197539,-3.5590203602,0.0330044249,0.0330044249,GGA,P-1,A4B12CD3_aP20_2_2i_6i_a_beh:Ca-O-Ta-Zr,20.0,"Invalid WP multiplicities - A4B12CD3_aP20_2_3i_11i_a_beh:Ca-O-Ta-Zr, expected Ca6Zr3TaO22 to be Ca4Zr3TaO12" +mp-1335753,Sr2CoCu2O7,-6.0902864283,-1.6475748433,0.0913679268,0.0913679268,GGA+U,Ima2,AB2C7D2_oI48_46_b_c_b3c_c:Co-Cu-O-Sr,24.0,AB2C7D2_oI48_46_b_c_b3c_c:Co-Cu-O-Sr +mp-16491,SrAl9Co2,-4.5374987142,-0.4028060881,0.0,-0.0371489473,GGA,P6/mmm,A9B2C_hP12_191_fm_c_a:Al-Co-Sr,12.0,A9B2C_hP12_191_fm_c_a:Al-Co-Sr +mp-1042971,Sr2AlCoCu2O7,-6.5315691208,-2.142483363,0.077124629,0.077124629,GGA+U,Ima2,ABC2D7E2_oI52_46_a_b_c_b3c_c:Al-Co-Cu-O-Sr,26.0,ABC2D7E2_oI52_46_a_b_c_b3c_c:Al-Co-Cu-O-Sr +mp-17017,Al12Co4Cu,-4.972321308,-0.4147102604,0.0,-0.0023222271,GGA,C2/m,A12B4C_mC102_12_h7i5j_4ij_ai:Al-Co-Cu,51.0,"Invalid WP multiplicities - A12B4C_mC102_12_h13i11j_8ij_ai:Al-Co-Cu, expected Al72Co20Cu3 to be Al12Co4Cu" +mp-1228194,Al6CoCu3,-4.489615805,-0.3016765265,0.0,-0.0050006993,GGA,P3m1,A6BC3_hP10_156_2a2b2c_a_a2b:Al-Co-Cu,10.0,A6BC3_hP10_156_2a2b2c_a_a2b:Al-Co-Cu +mp-17856,Al7CoCu2,-4.430875193,-0.2782989985,0.0,-0.002629735,GGA,P4/mnc,A7BC2_tP40_128_egi_e_h:Al-Co-Cu,40.0,A7BC2_tP40_128_egi_e_h:Al-Co-Cu +mp-1045723,AlCo4(CuO4)3,-6.330553153,-1.1387165752,0.2535104917,0.2535104917,GGA+U,Im-3,AB4C3D12_cI40_204_a_c_b_g:Al-Co-Cu-O,20.0,AB4C3D12_cI40_204_a_c_b_g:Al-Co-Cu-O +mp-1045637,AlCu3(BiO3)4,-5.740428193,-1.2021573483,0.4034817231,0.4034817231,GGA,Im-3,AB4C3D12_cI40_204_a_c_b_g:Al-Bi-Cu-O,20.0,AB4C3D12_cI40_204_a_c_b_g:Al-Bi-Cu-O +mp-1518543,Sr2AlBiO6,-6.698920062,-2.6344016486,0.0619679376,0.0619679376,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Bi-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Bi-O-Sr +mp-1218595,Sr6Al12Bi2O27,-7.4640601613,-3.2869230518,0.0,-0.0181835544,GGA,R3,A12B2C27D6_hR141_146_4b_2a_9b_2b:Al-Bi-O-Sr,47.0,A12B2C27D6_hR141_146_4b_2a_9b_2b:Al-Bi-O-Sr +mp-1046495,Sr2AlCu2BiO7,-6.3283761904,-2.1906618684,0.1027305004,0.1027305004,GGA,Cc,ABC2D7E2_mC52_9_a_a_2a_7a_2a:Al-Bi-Cu-O-Sr,26.0,ABC2D7E2_oI52_46_a_b_c_b3c_c:Al-Bi-Cu-O-Sr +mp-1212139,Li6La3(SbO6)2,-6.7290104128,-2.647278868,0.0877005295,0.0877005295,GGA,Ia-3,A3B6C12D2_cI184_206_d_e_2e_ab:La-Li-O-Sb,92.0,"Invalid WP multiplicities - A3B6C12D2_cI184_206_d_e_3e_ab:La-Li-O-Sb, expected Li6La3(SbO9)2 to be Li6La3(SbO6)2" +mp-775628,Li5La3(SbO6)2,-6.909228156,-2.7287325804,0.0567089778,0.0567089778,GGA,P1,A3B5C12D2_aP88_1_12a_20a_48a_8a:La-Li-O-Sb,88.0,A3B5C12D2_aP88_1_12a_20a_48a_8a:La-Li-O-Sb +mp-8405,Li3LaSb2,-4.0973660167,-0.9439029858,0.0,-0.036244825,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:La-Li-Sb,6.0,AB3C2_hP6_164_a_bd_d:La-Li-Sb +mp-6674,LiLa2SbO6,-7.6192389245,-3.0602318661,0.0031347195,0.0031347195,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Li-O-Sb,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_4e_b:La-Li-O-Sb, expected LiLa2SbO8 to be LiLa2SbO6" +mp-1023144,Mg6MnCu,-2.7395960125,0.1182667703,0.1687551884,0.1687551884,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Mn, expected Mg12MnCu to be Mg6MnCu" +mp-1023169,Mg6MnCu,-2.7373866181,0.1204761646,0.1709645827,0.1709645827,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Mn, expected Mg12MnCu to be Mg6MnCu" +mp-1047862,BaMgMnF7,-6.1270367688,-3.5208744633,0.0179443413,0.0179443413,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Mn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Mn, expected BaMgMnF23 to be BaMgMnF7" +mp-1214672,Ba2Mg2MnF10,-6.1375979867,-3.7832436569,0.007781596,0.007781596,GGA+U,C2/m,A2B10C2D_mC60_12_2i_eh4i2j_gi_i:Ba-F-Mg-Mn,30.0,A2B10C2D_mC60_12_2i_eg4i2j_hi_i:Ba-F-Mg-Mn +mp-1022982,BaMg6Mn,-2.35146591,0.2338679065,0.2891059952,0.2891059952,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Mn, expected BaMg12Mn to be BaMg6Mn" +mp-1023047,BaMg6Mn,-2.3432364581,0.2420973584,0.2973354471,0.2973354471,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Mn, expected BaMg12Mn to be BaMg6Mn" +mp-1046728,MgMnF4,-6.374008595,-3.305973393,0.0928988233,0.0928988233,GGA+U,Cm,A4BC_mC24_8_4a2b_2a_b:F-Mg-Mn,12.0,"Invalid WP multiplicities - A4BC_oF48_42_3c3d_2a_b:F-Mg-Mn, expected MgMnF6 to be MgMnF4" +mp-1028157,Mg14MnCu,-2.1620017,0.0670697164,0.0982714248,0.0982714248,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Mn, expected Mg18MnCu to be Mg14MnCu" +mp-1028141,Mg14MnCu,-2.1618933575,0.0671780589,0.0983797673,0.0983797673,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Mn, expected Mg26MnCu to be Mg14MnCu" +mp-1829192,MgMnF5,-6.0948581521,-3.1920452693,0.030052625,0.030052625,GGA+U,P-1,A5BC_aP14_2_5i_i_bc:F-Mg-Mn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_c:F-Mg-Mn, expected MgMnF7 to be MgMnF5" +mp-1388558,MgMnF5,-4.08445006,-1.1816371772,2.0404607171,2.0404607171,GGA+U,P-1,A5BC_aP14_2_5i_i_bd:F-Mg-Mn,14.0,"Invalid WP multiplicities - A5BC_aP14_2_9i_i_bd:F-Mg-Mn, expected MgMnF9 to be MgMnF5" +mp-1337197,MgMnF5,-6.090115955,-3.1873030722,0.0347948221,0.0347948221,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Mn,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Mn +mp-1028119,BaMg14Mn,-1.9665852731,0.1262216601,0.1653940492,0.1653940492,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Mn, expected BaMg18Mn to be BaMg14Mn" +mp-1028082,BaMg14Mn,-1.957296265,0.1355106683,0.1746830573,0.1746830573,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Mn, expected BaMg26Mn to be BaMg14Mn" +mp-1045910,Ba2MgMn2CuF14,-5.938311282,-3.2072026455,0.029145083,0.029145083,GGA+U,P1,A2BC14DE2_aP40_1_4a_2a_28a_2a_4a:Ba-Cu-F-Mg-Mn,40.0,"Invalid WP multiplicities - A2BC14DE2_mC80_15_f_c_24f_e_f:Ba-Cu-F-Mg-Mn, expected Ba2MgMn2CuF48 to be Ba2MgMn2CuF14" +mp-1391800,MgMnF6,-5.7981213775,-3.0192252341,0.0,-0.0841752634,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mg-Mn,8.0,A6BC_hR24_148_f_a_b:F-Mg-Mn +mp-1220822,NaLaScNbO6,-8.64966596,-3.4124220789,0.0012953005,0.0012953005,GGA,C2/m,ABCD6E_mC40_12_g_h_i_4ij_i:La-Na-Nb-O-Sc,20.0,ABCD6E_mC40_12_g_h_i_4ij_i:La-Na-Nb-O-Sc +mp-19176,La2NiRuO6,-8.094795139,-2.6341265693,0.0,-0.0037932457,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Ni-O-Ru +mp-694873,SrLaNiRuO6,-7.564981115,-2.4289639104000003,0.0,-0.0198817338,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Ni-O-Ru-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_10a_a_a:La-Ni-O-Ru-Sr, expected SrLaNiRuO10 to be SrLaNiRuO6" +mp-1519157,SrCaLaBiO6,-7.0623446605,-2.8471724769,0.0,-0.0568784172,GGA,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Bi-Ca-La-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_9a_a:Bi-Ca-La-O-Sr, expected SrCaLaBiO9 to be SrCaLaBiO6" +mp-1518932,SrCaLaBiO6,-6.9656725467000005,-2.7505003632,0.0966721138,0.0397936965,GGA,Pnnn,ABCD6E_oP40_48_e_f_ab_3m_cd:Bi-Ca-La-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_f_ab_6m_2c2d:Bi-Ca-La-O-Sr, expected Sr2CaLaBiO12 to be SrCaLaBiO6" +mp-1518887,SrCaLaBiO6,-6.9658109375,-2.7506387539,0.096533723,0.0396553058,GGA,P-4n2,ABCD6E_tP20_118_a_b_c_ei_d:Bi-Ca-La-O-Sr,20.0,ABCD6E_tP20_118_a_b_c_ei_d:Bi-Ca-La-O-Sr +mp-1519169,SrCaLaBiO6,-6.814445446,-2.5992732624,0.2478992145,0.1910207973,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ca-La-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ca-La-O-Sr +mp-1518084,Sr2LaBiO6,-6.996198664,-2.8126371231,0.0,-0.0373823442,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-La-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-La-O-Sr +mp-1518256,Sr2LaBiO6,-6.950616371,-2.7670548301,0.045582293,0.0081999488,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-La-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-La-O-Sr +mp-1518083,Sr2LaBiO6,-6.850147916,-2.6665863751,0.146050748,0.1086684038,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-La-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-La-O-Sr +mp-1517910,SrEuDyMnO6,-8.44156153,-2.9020185647,0.1472025517,0.1472025517,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Mn-O-Sr +mp-1521818,Eu2DyMnO6,-9.351166942,-2.9548731420000003,0.1739090977,0.1739090977,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Dy-Eu-Mn-O,10.0,AB2CD6_cF40_225_a_c_b_e:Dy-Eu-Mn-O +mp-1518593,BaNdDyMnO6,-8.035045204,-3.0214395268,0.1682902484,0.1682902484,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Dy-Mn-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Dy-Mn-Nd-O +mp-1219873,Pr2Ga7Ni,-4.200706103,-0.5468440683,0.0040148193,0.0040148193,GGA,P4mm,A7BC2_tP10_99_a2b2c_a_ab:Ga-Ni-Pr,10.0,"Invalid WP multiplicities - A7BC2_tP10_99_a2b4c_a_ab:Ga-Ni-Pr, expected Pr2Ga11Ni to be Pr2Ga7Ni" +mp-632810,Pr3Ga10Ni,-4.1566866536,-0.5564142129,0.0012109441,0.0012109441,GGA,Pmmm,A10BC3_oP14_47_i2k2l_c_bj:Ga-Ni-Pr,14.0,A10BC3_oP14_47_i2k2l_c_bj:Ga-Ni-Pr +mp-1194385,Pr2Ga12Ni,-3.8425254233,-0.3972520593,0.0,-0.0081365279,GGA,P4/nbm,A12BC2_tP30_125_2g2m_c_h:Ga-Ni-Pr,30.0,A12BC2_tP30_125_2g2m_c_h:Ga-Ni-Pr +mp-1207239,Pr2GaNi2,-5.27614686,-0.4461106815,0.0,-0.00785885,GGA,Immm,AB2C2_oI10_71_a_f_h:Ga-Ni-Pr,5.0,AB2C2_oI10_71_a_f_h:Ga-Ni-Pr +mp-1025536,PrGa2Ni,-4.7765906475,-0.6222820275000001,0.0,-0.0224391758,GGA,Cmmm,A2BC_oC16_65_acg_g_h:Ga-Ni-Pr,8.0,A2BC_oC16_65_acg_g_h:Ga-Ni-Pr +mp-1220010,PrGa3Ni,-4.46204914,-0.5329830395,0.046517406,0.046517406,GGA,I-4m2,A3BC_tI10_119_af_b_c:Ga-Ni-Pr,5.0,A3BC_tI10_119_af_b_c:Ga-Ni-Pr +mp-1191719,Pr3(GaNi3)2,-5.4353734023,-0.4281252759,0.0,-0.0092582418,GGA,Im-3m,A2B6C3_cI44_229_c_h_e:Ga-Ni-Pr,22.0,A2B6C3_cI44_229_c_h_e:Ga-Ni-Pr +mp-1193804,Pr3(GaNi)2,-5.0457190721,-0.4801215479,0.0040047864,0.0040047864,GGA,Pbcm,A2B2C3_oP28_57_cd_e_de:Ga-Ni-Pr,28.0,A2B2C3_oP28_57_cd_e_de:Ga-Ni-Pr +mp-1103558,PrGaNi,-5.0648886867,-0.5351758675,0.0,-0.01076681,GGA,Pnma,ABC_oP12_62_c_c_c:Ga-Ni-Pr,12.0,ABC_oP12_62_c_c_c:Ga-Ni-Pr +mp-1220050,PrGa2Ni3,-5.2023734133,-0.5061221067,0.0,-0.0421663156,GGA,P-62m,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Pr,18.0,A2B3C_hP18_189_fg_fk_bc:Ga-Ni-Pr +mp-1205884,Pr3(GaNi2)2,-5.2773781067,-0.4418829922,0.0166925654,0.0166925654,GGA,C2/m,A2B4C3_mC18_12_i_2i_ai:Ga-Ni-Pr,9.0,A2B4C3_mC18_12_i_2i_ai:Ga-Ni-Pr +mp-1522741,SrHf4SnO12,-8.9615740283,-3.1344581415,0.2866251847,0.2866251847,GGA,Cmmm,A4B12CD_oC36_65_m_efno_a_c:Hf-O-Sn-Sr,18.0,"Invalid WP multiplicities - A4B12CD_oC36_65_m_2e2fno_a_c:Hf-O-Sn-Sr, expected SrHf4SnO16 to be SrHf4SnO12" +mp-1520657,BaSrHfSnO6,-7.928985887,-3.2034497324,0.0096437518,0.0096437518,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Hf-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Hf-O-Sn-Sr +mp-1520511,Sr2HfSnO6,-7.910152207,-3.2075642011,0.0186478832,0.0186478832,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Hf-O-Sn-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Hf-O-Sn-Sr +mp-1522443,SrPrCrSnO6,-7.735504264,-2.7541891839,0.1278316555,0.1278316555,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_b_d:Cr-O-Pr-Sn-Sr,10.0,AB6CDE_cF40_216_a_f_c_b_d:Cr-O-Pr-Sn-Sr +mp-1220778,Nd4MnSn8,-5.1885562438,-0.5492347160000001,0.0403467725,0.0403467725,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Mn-Nd-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Mn-Nd-Sn +mp-1519799,SrNdMnSnO6,-7.564676742,-2.633740712,0.1677348527,0.1677348527,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Mn-Nd-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Mn-Nd-O-Sn-Sr +mp-643614,Nd(MnSn)6,-6.5720932274,-0.1261185878,0.0278458985,0.0278458985,GGA,Immm,A6BC6_oI78_71_hkno_af_3e3fgn:Mn-Nd-Sn,39.0,"Invalid WP multiplicities - A6BC6_oI78_71_2h3k4n6o_af_5e6f2g4n:Mn-Nd-Sn, expected Nd3(Mn40Sn21)2 to be Nd(MnSn)6" +mp-1102161,Nd3(MnSn)4,-6.3799698709,-0.2898979722,0.1642712408,0.1642712408,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Mn-Nd-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Mn-Nd-Sn +mp-1096623,BaCaIn2,-1.1385591925,1.2184263775,1.6632738288,1.6632738288,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-In,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-In +mp-1518821,BaCaNbInO6,-7.523768821,-2.8779992353,0.1074143301,0.1074143301,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-In-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-In-Nb-O +mp-1228325,BaCa2In6O12,-6.2424630833,-2.3471991969,0.0072448946,0.0072448946,GGA,P3,AB2C6D12_hP21_143_a_bc_2d_4d:Ba-Ca-In-O,21.0,AB2C6D12_hP21_143_a_bc_2d_4d:Ba-Ca-In-O +mp-505104,Cu3BiSe2ClO8,-5.5196507740000005,-1.2161855443,0.0,-0.0054521826,GGA,Pmmn,ABC3D8E2_oP30_59_a_b_ac_2eg_e:Bi-Cl-Cu-O-Se,30.0,ABC3D8E2_oP30_59_a_b_ac_2eg_e:Bi-Cl-Cu-O-Se +mp-1017242,NaMg6Bi,-1.8652779738,-0.0196911333,0.1044201252,0.1044201252,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Na, expected NaMg12Bi to be NaMg6Bi" +mp-1017243,NaMg6Bi,-1.8678788156,-0.0222919752,0.1018192833,0.1018192833,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Na, expected NaMg12Bi to be NaMg6Bi" +mp-1030664,NaMg6BiO8,-5.9080373681000005,-2.5118995923,0.2119517234,0.2119517234,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Bi-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Bi-Mg-Na-O, expected NaMg6BiO12 to be NaMg6BiO8" +mp-1030676,NaMg6BiO8,-5.9726923144,-2.5765545385,0.1472967772,0.1472967772,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Bi-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Bi-Mg-Na-O, expected NaMg6BiO12 to be NaMg6BiO8" +mp-1221097,NaBiSe2,-3.9242306075,-0.8855212628,0.094738865,0.002471245,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-Na-Se,4.0,ABC2_tP4_123_a_d_bc:Bi-Na-Se +mp-35015,NaBiSe2,-3.9730943862,-0.9343850416,0.0458750863,-0.0463925338,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Bi-Na-Se,8.0,ABC2_tI16_141_a_b_e:Bi-Na-Se +mp-1221101,NaBiSe2,-4.0189694725,-0.9802601278,0.0,-0.09226762,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Na-Se,4.0,ABC2_hR12_166_a_b_c:Bi-Na-Se +mp-1034357,NaMg14BiO16,-6.1168823053,-2.7820712271,0.1068745805,0.1068745805,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Bi-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Bi-Mg-Na-O, expected NaMg18BiO20 to be NaMg14BiO16" +mp-1034355,NaMg14BiO16,-6.1225732091,-2.7877621308,0.1011836767,0.1011836767,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Bi-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Bi-Mg-Na-O, expected NaMg30BiO32 to be NaMg14BiO16" +mp-1039742,NaMg30BiO32,-6.2296825044,-2.9255347749,0.0459582785,0.0459582785,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Bi-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Bi-Mg-Na-O, expected NaMg110BiO72 to be NaMg30BiO32" +mp-1039698,NaMg30BiO32,-6.2264380177,-2.9222902882,0.0492027652,0.0492027652,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Bi-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Bi-Mg-Na-O, expected NaMg90BiO80 to be NaMg30BiO32" +mp-1026660,NaMg14Bi,-1.7369677675,-0.0140343223,0.0603132163,0.0603132163,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Na, expected NaMg18Bi to be NaMg14Bi" +mp-1026649,NaMg14Bi,-1.7078374913,0.015095954,0.0894434925,0.0894434925,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Na, expected NaMg26Bi to be NaMg14Bi" +mp-2218244,Na5MgBiO5,-4.7817596008,-1.7161896672,0.160248169,0.160248169,GGA,P1,ABC5D5_aP12_1_a_a_5a_5a:Bi-Mg-Na-O,12.0,ABC5D5_aP12_1_a_a_5a_5a:Bi-Mg-Na-O +mp-2218660,Na4Mg(BiO3)2,-5.2097247723,-1.8057638684,0.1275832217,0.1275832217,GGA,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O +mp-2218508,Na4Mg(BiO3)2,-5.1947994392,-1.7908385353,0.1425085548,0.1425085548,GGA,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O +mp-2218608,Na4Mg(BiO3)2,-5.18933427,-1.7853733661,0.147973724,0.147973724,GGA,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O +mp-2218307,Na4Mg(BiO3)2,-5.2109321615,-1.8069712576,0.1263758325,0.1263758325,GGA,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Bi-Mg-Na-O +mp-2218486,Na4Mg(BiO3)2,-5.2157084508,-1.8117475468,0.1215995433,0.1215995433,GGA,Cm,A2BC4D6_mC26_8_b_a_2ab_2a2b:Bi-Mg-Na-O,13.0,A2BC4D6_mC26_8_b_a_2ab_2a2b:Bi-Mg-Na-O +mp-2218565,Na4Mg(BiO3)2,-5.1249437808,-1.7209828768,0.2123642133,0.2123642133,GGA,Cm,A2BC4D6_mC26_8_b_a_2ab_2a2b:Bi-Mg-Na-O,13.0,A2BC4D6_mC26_8_b_a_2ab_2a2b:Bi-Mg-Na-O +mp-2226665,Na2Mg(BiO3)2,-5.5994310091,-1.8170272669,0.1086511002,0.1086511002,GGA,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Bi-Mg-Na-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Bi-Mg-Na-O +mp-2239841,Na2Mg(BiO3)2,-5.5845170509,-1.8021133087,0.1235650584,0.1235650584,GGA,R3,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Na-O,11.0,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Na-O +mp-2227343,Na2Mg(BiO3)2,-5.6148194409,-1.8324156987,0.0932626684,0.0932626684,GGA,R-3,A2BC2D6_hR33_148_c_a_c_f:Bi-Mg-Na-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Bi-Mg-Na-O +mp-2240417,Na2Mg(BiO3)2,-5.5948215309,-1.8124177887,0.1132605784,0.1132605784,GGA,R-3,A2BC2D6_hR33_148_c_a_c_f:Bi-Mg-Na-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Bi-Mg-Na-O +mp-2224791,Na6Mg(BiO4)2,-5.12359565,-1.7830121347,0.1030898178,0.1030898178,GGA,P1,A2BC6D8_aP17_1_2a_a_6a_8a:Bi-Mg-Na-O,17.0,A2BC6D8_aP17_1_2a_a_6a_8a:Bi-Mg-Na-O +mp-2228973,Na6Mg(BiO4)2,-5.0940109512,-1.7534274358,0.1326745166,0.1326745166,GGA,P1,A2BC6D8_aP17_1_2a_a_6a_8a:Bi-Mg-Na-O,17.0,A2BC6D8_aP17_1_2a_a_6a_8a:Bi-Mg-Na-O +mp-2217391,Na3MgBiO4,-5.0548675578,-1.8109675683,0.2112962886,0.2112962886,GGA,Pm,ABC3D4_mP9_6_a_a_a2b_2a2b:Bi-Mg-Na-O,9.0,ABC3D4_mP9_6_a_a_a2b_2a2b:Bi-Mg-Na-O +mp-2217269,Na3MgBiO4,-5.03978867,-1.7958886805,0.2263751764,0.2263751764,GGA,Pm,ABC3D4_mP9_6_a_b_a2b_2a2b:Bi-Mg-Na-O,9.0,ABC3D4_mP9_6_a_b_a2b_2a2b:Bi-Mg-Na-O +mp-2224216,Na3MgBiO4,-5.0644843944,-1.820584405,0.2016794519,0.2016794519,GGA,Amm2,ABC3D4_oC18_38_a_b_ae_2ae:Bi-Mg-Na-O,9.0,"Invalid WP multiplicities - ABC3D4_oC18_38_a_b_a2e_2a2e:Bi-Mg-Na-O, expected Na5MgBiO6 to be Na3MgBiO4" +mp-1093660,LiMg2In,-0.8081100075000001,1.1571816667,1.3143400311,1.3143400311,GGA,Immm,ABC2_oI8_71_a_b_e:In-Li-Mg,4.0,ABC2_oI8_71_a_b_e:In-Li-Mg +mp-1185366,LiMg2In,-2.11029715,-0.1450054758,0.0121528886,0.0121528886,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Li-Mg,4.0,ABC2_cF16_225_a_b_c:In-Li-Mg +mp-22805,LiInMo3O8,-7.8293144092,-1.9238477464,0.123222891,0.123222891,GGA+U,P3m1,ABC3D8_hP13_156_b_a_d_ac2d:In-Li-Mo-O,13.0,ABC3D8_hP13_156_b_a_d_ac2d:In-Li-Mo-O +mp-1021305,LiMg6Mo,-2.64970702,0.1448246396,0.1797112873,0.1797112873,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Mo,8.0,AB6C_oC16_38_a_2bde_a:Li-Mg-Mo +mp-1021405,LiMg6Mo,-2.64003805,0.1544936096,0.1893802573,0.1893802573,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_hP8_187_a_2j2k_d:Li-Mg-Mo, expected LiMg12Mo to be LiMg6Mo" +mp-12128,Li2MgIn,-2.2682169875,-0.2257646092,0.0,-0.0034814642,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Mg,4.0,AB2C_cF16_225_a_c_b:In-Li-Mg +mp-558897,LiMgIn(MoO4)3,-7.6431967567,-2.1899688949,0.0,-0.0029356706,GGA+U,P-1,ABCD3E12_aP36_2_i_i_i_3i_12i:In-Li-Mg-Mo-O,36.0,"Invalid WP multiplicities - ABCD3E12_aP36_2_i_i_i_6i_23i:In-Li-Mg-Mo-O, expected LiMgInMo6O23 to be LiMgIn(MoO4)3" +mp-554101,LiIn(MoO4)2,-7.5530984263,-2.0593137174,0.0151939885,0.0151939885,GGA+U,P2_1/c,ABC2D8_mP48_14_e_e_2e_8e:In-Li-Mo-O,48.0,"Invalid WP multiplicities - ABC2D8_mP48_14_e_e_5e_29e:In-Li-Mo-O, expected LiInMo5O29 to be LiIn(MoO4)2" +mp-20105,LiIn(MoO4)2,-7.5463323733,-2.0525476644,0.0219600414,0.0219600414,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:In-Li-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_mC48_15_e_e_f_6f:In-Li-Mo-O, expected LiIn(MoO6)2 to be LiIn(MoO4)2" +mp-1026796,LiMg14Mo,-2.0869412694,0.1104645854,0.1412833334,0.1412833334,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Mo, expected LiMg18Mo to be LiMg14Mo" +mp-1026794,LiMg14Mo,-2.0967093044,0.1006965504,0.1315152984,0.1315152984,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Mo, expected LiMg26Mo to be LiMg14Mo" +mp-1096192,LiMgIn2,-1.130538445,1.1226041492,1.2950527825,1.2799637824,GGA,Immm,A2BC_oI8_71_e_a_b:In-Li-Mg,4.0,A2BC_oI8_71_e_a_b:In-Li-Mg +mp-1222290,LiMgIn2,-2.3423991175,-0.0892565233,0.08319211,0.0681031099,GGA,F-43m,A2BC_cF16_216_ac_b_d:In-Li-Mg,4.0,A2BC_cF16_216_ac_b_d:In-Li-Mg +mp-1185368,LiMgIn2,-2.4255912275,-0.1724486333,0.0,-0.0150890001,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Mg,4.0,A2BC_cF16_225_c_a_b:In-Li-Mg +mp-1221192,Na4LiNb5O15,-8.114597673,-2.8383624766,0.0187203758,0.0187203758,GGA,R3,AB4C5D15_hR150_146_2a_8a_10a_10b:Li-Na-Nb-O,50.0,"Invalid WP multiplicities - AB4C5D15_hR150_146_2a_8a_10a_30b:Li-Na-Nb-O, expected Na4LiNb5O45 to be Na4LiNb5O15" +mp-1516511,NaLiNb4O12,-8.3853564383,-2.663304613,0.1255347098,0.1255347098,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Li-Na-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Li-Na-Nb-O, expected NaLiNb4O18 to be NaLiNb4O12" +mp-1519434,NaLiNbBiO6,-6.740788246,-2.0554507862,0.192075836,0.192075836,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Li-Na-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Li-Na-Nb-O +mp-1219727,PrSmFe4,-7.1588284533,0.0711010017,0.0711010017,0.0711010017,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Pr-Sm,6.0,A4BC_cF24_216_e_a_c:Fe-Pr-Sm +mp-1516316,SmEu2NbO6,-9.771567194,-3.2701644897,0.1557792606,0.1557792606,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Sm +mp-1523172,SmEuTi4O12,-9.0732541683,-3.1889308052,0.1638927658,0.1638927658,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Eu-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Eu-O-Sm-Ti, expected SmEuTi4O16 to be SmEuTi4O12" +mp-1522188,SmEuTiNbO6,-9.517648523,-3.2523967971,0.1905997692,0.1905997692,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sm-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sm-Ti +mp-1518884,BaCaMnSnO6,-7.106897617,-2.4292681935,0.1524965705,0.1524965705,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-Sn +mp-1520435,Ba2SmFeO6,-7.31117152,-2.6405025708,0.0262522951,0.0262522951,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Sm +mp-1228654,Ba2SmNb4FeO15,-8.8146299372,-3.0914948044,0.0503189484,0.0503189484,GGA+U,Pc,A2BC4D15E_mP46_7_2a_a_4a_15a_a:Ba-Fe-Nb-O-Sm,46.0,"Invalid WP multiplicities - A2BC4D15E_mP46_7_3a_a_5a_22a_a:Ba-Fe-Nb-O-Sm, expected Ba3SmNb5FeO22 to be Ba2SmNb4FeO15" +mp-704632,Ba2Sm2Fe4O11,-7.8807376447,-2.5350122335,0.0305622724,0.0305622724,GGA+U,Cmmm,A2B4C11D2_oC38_65_f_2g_ag2hp_j:Ba-Fe-O-Sm,19.0,"Invalid WP multiplicities - A2B4C11D2_oC38_65_f_3g_a2g4h2p_j:Ba-Fe-O-Sm, expected Ba2Sm2(Fe2O7)3 to be Ba2Sm2Fe4O11" +mp-1523135,BaSm(FeO3)4,-7.1881186433,-1.6393458406,0.2151757869,0.2151757869,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ba-Fe-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ba-Fe-O-Sm, expected BaSm(FeO4)4 to be BaSm(FeO3)4" +mp-561315,Cs3AlGe2O7,-6.2784506831,-2.4088614804,0.0,-0.0813177521,GGA,C2/c,AB3C2D7_mC52_15_e_ef_f_e3f:Al-Cs-Ge-O,26.0,"Invalid WP multiplicities - AB3C2D7_mC52_15_e_2e3f_f_2e11f:Al-Cs-Ge-O, expected Cs8Al(GeO12)2 to be Cs3AlGe2O7" +mp-1226410,Cs2Na6Al6Ge7O30,-6.5365070204,-2.3607958869,0.0677555324,0.0677555324,GGA,P3,A6B2C7D6E30_hP51_143_2d_ab_c2d_2d_10d:Al-Cs-Ge-Na-O,51.0,A6B2C7D6E30_hP51_143_2d_ab_c2d_2d_10d:Al-Cs-Ge-Na-O +mp-1227115,CaNdAl3O7,-7.9351080729,-3.5486667578,0.0,-0.0022206825,GGA,Cmm2,A3BCD7_oC48_35_cde_d_e_abde2f:Al-Ca-Nd-O,24.0,"Invalid WP multiplicities - A3BCD7_oC48_35_c2d2e_d_e_ab2d2e7f:Al-Ca-Nd-O, expected CaNdAl5O19 to be CaNdAl3O7" +mp-1227041,CaNdAlO4,-7.8890254643,-3.5595857518000003,0.0089112293,0.0089112293,GGA,I4mm,ABCD4_tI14_107_a_a_a_2ab:Al-Ca-Nd-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Al-Ca-Nd-O +mp-1227105,CaNdNb2O7,-8.9103430409,-3.3100540981,0.0711961985,0.0711961985,GGA,Imma,AB2CD7_oI44_74_a_bc_d_3ej:Ca-Nb-Nd-O,22.0,"Invalid WP multiplicities - AB2CD7_oI44_74_a_bc_d_5e2j:Ca-Nb-Nd-O, expected CaNdNb2O13 to be CaNdNb2O7" +mp-1227471,Ca2NdNbO6,-8.301213639,-3.445135189,0.0023932528,0.0023932528,GGA,Pc,A2BCD6_mP20_7_2a_a_a_6a:Ca-Nb-Nd-O,20.0,A2BCD6_mP20_7_2a_a_a_6a:Ca-Nb-Nd-O +mp-1210336,Nd6Nb4Al43,-4.671196803,-0.3301804739,0.0,-0.0005569764,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Nd,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Nd +mp-16927,NaTbGeO4,-7.2082797904,-2.8701834913,0.0,-0.0410753721,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Tb,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Tb +mp-1208364,TbAlGe2O7,-7.6264835143,-2.8762272762,0.0032301638,0.0032301638,GGA,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Tb,44.0,AB2C7D_mP44_14_e_2e_7e_e:Al-Ge-O-Tb +mp-2217885,Ba2ErMgRuO6,-6.9837716118,-2.532818562,0.3668841437,0.3668841437,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Er-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Er-Mg-O-Ru, expected Ba2ErMgRuO12 to be Ba2ErMgRuO6" +mp-2217637,Ba2ErMgRuO6,-6.9201588964,-2.4692058466,0.4304968592,0.4304968592,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Er-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a3b_a:Ba-Er-Mg-O-Ru, expected Ba2ErMgRuO8 to be Ba2ErMgRuO6" +mp-1018684,Er2Mg3Ru,-4.1073679717000005,-0.2389212533,0.0151251156,0.0151251156,GGA,P4/mmm,A2B3C_tP6_123_g_ah_d:Er-Mg-Ru,6.0,A2B3C_tP6_123_g_ah_d:Er-Mg-Ru +mp-6621,Ba2ErRuO6,-7.602358978,-2.8663386282000003,0.0,-0.0663600152,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Ru,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Ru +mp-541721,Ba3ErRu2O9,-7.5390524637,-2.6461426562,0.0,-0.0026737443,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Er-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Er-O-Ru +mp-984788,Ba4Er(RuO4)3,-7.50338859,-2.5320340538,0.0,-0.0001814649,GGA,R-3m,A4BC12D3_hR60_166_2c_a_2h_bc:Ba-Er-O-Ru,20.0,A4BC12D3_hR60_166_2c_a_2h_bc:Ba-Er-O-Ru +mp-1070135,Er2Mg2Ru,-4.622509126,-0.300429074,0.0,-0.0317487636,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Er-Mg-Ru,5.0,A2B2C_tI10_139_e_e_a:Er-Mg-Ru +mp-1214824,Ba2Er2CuPtO8,-7.1730583095,-2.6932556537,0.0151879273,0.0151879273,GGA,Pnma,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Er-O-Pt,56.0,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Er-O-Pt +mp-1184114,Er2Pt2O5,-7.0016811578,-1.8893314004,0.7526907997000001,0.7526907997000001,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Er-O-Pt,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Er-O-Pt, expected Er2Pt2O9 to be Er2Pt2O5" +mp-8837,Ba3Er2Cu2PtO10,-6.8889604728,-2.5206940165,0.0286733739,0.0286733739,GGA,C2/m,A3B2C2D10E_mC36_12_ai_i_i_i2j_d:Ba-Cu-Er-O-Pt,18.0,A3B2C2D10E_mC36_12_ai_i_i_i2j_c:Ba-Cu-Er-O-Pt +mp-756440,Er2Pt2O7,-7.5610579523,-2.4788283851,0.0,-0.1284651777,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Er-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Er-O-Pt, expected ErPtO10 to be Er2Pt2O7" +mp-862940,Er2CuPt,-5.6246132875,-0.798168885,0.0017914401,0.0017914401,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Er-Pt,4.0,AB2C_cF16_225_a_c_b:Cu-Er-Pt +mp-1518805,NdEuHfCrO6,-9.754061392,-3.322509592,0.1121192328,0.1121192328,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Cr-Eu-Hf-Nd-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Cr-Eu-Hf-Nd-O +mp-1411498,Ba2TlNi2O7,-5.7199378025000005,-1.3542971887,0.372234078,0.372234078,GGA+U,P4/mmm,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Ni-O-Tl,12.0,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Ni-O-Tl +mp-1044577,BaZn(NiO2)4,-5.9375836164,-1.232385405,0.2074719579,0.2074719579,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Ni-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Ni-O-Zn +mp-1046591,Ba2Tl2Ni3O10,-5.5621768724,-1.1286160885,0.4106870747,0.4106870747,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Ni-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Ni-O-Tl +mp-1046932,BaTl(NiO3)2,-5.513828895,-0.9616265236,0.4693203424,0.4693203424,GGA+U,C2,AB2C6D_mC40_5_c_2c_6c_c:Ba-Ni-O-Tl,20.0,"Invalid WP multiplicities - AB2C6D_tI40_139_e_3e_4e6g_e:Ba-Ni-O-Tl, expected BaTlNi3O16 to be BaTl(NiO3)2" +mp-1046545,Ba2Tl2Zn2Ni3O10,-5.6371840105,-1.537709245,0.1562501378,0.1562501378,GGA+U,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Ni-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Ni-O-Tl-Zn +mp-1340134,Ba2Tl2Zn3(NiO3)4,-5.59331681,-1.4705655814,0.1905536223,0.1905536223,GGA+U,Cm,A2B4C12D2E3_mC46_8_2a_4a_12a_2a_3a:Ba-Ni-O-Tl-Zn,23.0,A2B4C12D2E3_oI46_44_2a_4a_4a8b_2a_3a:Ba-Ni-O-Tl-Zn +mp-13055,Ba2LaTaO6,-8.539526634,-3.5083399458,0.0,-0.0184845357,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-La-O-Ta,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-La-O-Ta +mp-557713,Ba2LaTaO6,-8.5395221295,-3.5083354412,4.5045e-06,-0.0184800312,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-La-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_10e_d:Ba-La-O-Ta, expected Ba2LaTaO20 to be Ba2LaTaO6" +mp-13056,Ba2LaTaO6,-8.539117808,-3.5079311198000003,0.000408826,-0.0180757097,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Ta,10.0,A2BC6D_hR30_148_c_a_f_b:Ba-La-O-Ta +mp-1214475,Ba3Ta2ZnO9,-8.2349360433,-3.2181079039,0.0,-0.0232481251,GGA,P-3m1,A3B9C2D_hP15_164_ad_ei_d_b:Ba-O-Ta-Zn,15.0,A3B9C2D_hP15_164_ad_ei_d_b:Ba-O-Ta-Zn +mp-42054,BaLaTaZnO6,-8.096213594,-3.1309500387,0.1202897818,0.1202897818,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-La-O-Ta-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-La-O-Ta-Zn +mp-1228180,Ba3LaTa3O12,-9.0276434563,-3.4683524379,0.052412022,0.052412022,GGA,R3m,A3BC12D3_hR57_160_3a_a_4b_3a:Ba-La-O-Ta,19.0,A3BC12D3_hR57_160_3a_a_4b_3a:Ba-La-O-Ta +mp-1520715,Ba2GdBiO6,-7.9461588158,-2.802689464,0.0,-0.0864166211,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Gd-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Gd-O +mp-1520731,Ba2GdBiO6,-7.940508143,-2.7970387912,0.0056506728,-0.0807659483,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Gd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Gd-O +mp-1523201,BaCaGdBiO6,-7.939428478,-2.7872966323,0.0006821849,0.0006821849,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-Gd-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-Gd-O, expected BaCaGdBiO12 to be BaCaGdBiO6" +mp-1523231,BaCaGdBiO6,-7.9384925865,-2.7863607407,0.0016180764,0.0016180764,GGA,P222,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Gd-O,40.0,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Gd-O +mp-1523232,BaCaGdBiO6,-7.829485291,-2.6773534453,0.1106253719,0.1106253719,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Gd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Gd-O +mp-1222546,LiCuSbO4,-6.0242630043,-1.7494222012,0.0336705911,0.0336705911,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_4a_2a_12a_2a:Cu-Li-O-Sb, expected LiCu2SbO6 to be LiCuSbO4" +mp-850358,LiCuSbO4,-6.0165520186,-1.7417112155,0.0413815768,0.0413815768,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cu-Li-O-Sb,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h3i_c:Cu-Li-O-Sb, expected LiCuSbO10 to be LiCuSbO4" +mp-775311,LiCuSbO4,-5.9474596689,-1.6726188658,0.1104739264,0.1104739264,GGA,P4_322,ABC4D_tP28_95_c_a_2d_b:Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Cu-Li-O-Sb, expected LiCuSbO6 to be LiCuSbO4" +mp-1567262,Li2Mn2SbO6,-7.1373305545,-2.0508751159,0.0753149551,0.0753149551,GGA+U,C222_1,A2B2C6D_oC44_20_2b_2a_3c_a:Li-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_20_2b_4a_5c_a:Li-Mn-O-Sb, expected Li2Mn4SbO10 to be Li2Mn2SbO6" +mp-755120,Li2Mn2SbO6,-7.1226618718,-2.0362064332,0.0899836378,0.0899836378,GGA+U,Cmce,A2B2C6D_oC44_64_e_d_fg_a:Li-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_e_d_2f3g_a:Li-Mn-O-Sb, expected Li2Mn2SbO16 to be Li2Mn2SbO6" +mp-1667016,Li5Mn3(SbO5)2,-6.8084190085,-2.0706415184,0.0512728795,0.0512728795,GGA+U,P1,A5B3C10D2_aP40_1_10a_6a_20a_4a:Li-Mn-O-Sb,40.0,A5B3C10D2_aP40_1_10a_6a_20a_4a:Li-Mn-O-Sb +mp-755766,Li5Mn3(SbO5)2,-6.7921907722,-2.0544132821,0.0675011157,0.0675011157,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ci_5i_i:Li-Mn-O-Sb,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b2i_2c2i_5i_i:Li-Mn-O-Sb, expected Li5Mn6(SbO5)2 to be Li5Mn3(SbO5)2" +mp-1207008,LiMnSb2,-4.6193278475,0.2129073122,0.5150247877,0.5150247877,GGA,P4/mmm,ABC2_tP4_123_a_b_g:Li-Mn-Sb,4.0,ABC2_tP4_123_a_b_g:Li-Mn-Sb +mp-775072,Li4Mn3Cu2Sb3O16,-6.6628518268,-1.8466313345,0.1013826791,0.1013826791,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Cu-Li-Mn-O-Sb,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Cu-Li-Mn-O-Sb +mp-1211177,Li4CuSbO6,-5.7365718387,-1.9412358684,0.0187391112,0.0187391112,GGA,C2/c,AB4C6D_mC48_15_e_cef_3f_e:Cu-Li-O-Sb,24.0,AB4C6D_mC48_15_e_aef_3f_e:Cu-Li-O-Sb +mp-1177697,Li3Cu4SbO8,-5.6128609194,-1.4987292812000002,0.0801631087,0.0801631087,GGA,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Cu-Li-O-Sb,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ace_df_4i2j_b:Cu-Li-O-Sb, expected Li3Cu4SbO16 to be Li3Cu4SbO8" +mp-771023,Li6Mn3Sb3O16,-6.7087201075,-2.0489484583,0.0719590409,0.0719590409,GGA+U,Cm,A6B3C16D3_mC56_8_6a_ab_8a4b_ab:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A6B3C16D3_mC56_8_6a_ab_8a6b_ab:Li-Mn-O-Sb, expected Li6Mn3Sb3O20 to be Li6Mn3Sb3O16" +mp-773202,Li5Mn5(SbO6)2,-7.1695715338,-2.0456982917,0.0525395638,0.0525395638,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Mn-O-Sb,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Mn-O-Sb, expected Li9Mn5(SbO6)2 to be Li5Mn5(SbO6)2" +mp-767480,Li3Cu2SbO6,-5.7284867917,-1.750627171,0.0400856525,0.0400856525,GGA,C2/c,A2B3C6D_mC48_15_ce_ef_3f_e:Cu-Li-O-Sb,24.0,"Invalid WP multiplicities - A2B3C6D_mC48_15_2ce_e2f_11f_e:Cu-Li-O-Sb, expected Li5Cu3SbO22 to be Li3Cu2SbO6" +mp-1177353,Li4Mn5SbO12,-7.3767569659,-2.0615281613,0.0687055741,0.0687055741,GGA+U,C2/m,A4B5C12D_mC44_12_j_agh_2i2j_d:Li-Mn-O-Sb,22.0,"Invalid WP multiplicities - A4B5C12D_mC44_12_j_a2g2h_3i4j_c:Li-Mn-O-Sb, expected Li4Mn9SbO22 to be Li4Mn5SbO12" +mp-757166,Li3Mn(SbO3)4,-6.551374293,-2.0131216236,0.0636895523,0.0636895523,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-Sb,40.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-Sb +mp-752791,Li2Mn3SbO8,-7.3795924314,-2.02199225,0.090942985,0.0748314798,GGA+U,P-1,A2B3C8D_aP14_2_ad_bce_4i_f:Li-Mn-O-Sb,14.0,"Invalid WP multiplicities - A2B3C8D_aP14_2_ad_bce_7i_f:Li-Mn-O-Sb, expected Li2Mn3SbO14 to be Li2Mn3SbO8" +mp-1311252,Li2Mn3SbO8,-7.4557149686,-2.0981147872,0.0148204479,-0.0012910573,GGA+U,P-1,A2B3C8D_aP28_2_2i_abcgi_8i_ef:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_aP28_2_4i_ab2ci_16i_de:Li-Mn-O-Sb, expected Li4Mn3SbO16 to be Li2Mn3SbO8" +mp-1275808,Li2Mn3SbO8,-7.4551468675,-2.0975466861,0.0153885489,-0.0007229563,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_3ij_a:Li-Mn-O-Sb, expected Li2Mn6SbO10 to be Li2Mn3SbO8" +mp-1293130,Li2Mn3SbO8,-7.4572281514,-2.09962797,0.013307265,-0.0028042402,GGA+U,P2_1/c,A2B3C8D_mP28_14_e_ae_4e_b:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_mP28_14_e_2a2e_8e_b:Li-Mn-O-Sb, expected Li2Mn6SbO16 to be Li2Mn3SbO8" +mp-763186,Li2Mn3SbO8,-7.4705354164,-2.112935235,0.0,-0.0161115052,GGA+U,P31c,A2B3C8D_hP28_159_ab_c_ab2c_b:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_159_a2b_c_a2b9c_b:Li-Mn-O-Sb, expected Li3Mn3SbO30 to be Li2Mn3SbO8" +mp-1177911,Li2Mn3SbO8,-7.44339719,-2.0857970086,0.0271382264,0.0110267212,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-Sb,28.0,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-Sb +mp-776741,Li2Mn3SbO8,-7.43629212,-2.0786919386,0.0342432964,0.0181317912,GGA+U,P4_332,A2B3C8D_cP56_212_c_d_ce_a:Li-Mn-O-Sb,56.0,"Invalid WP multiplicities - A2B3C8D_cP56_212_c_d_8c9e_a:Li-Mn-O-Sb, expected Li2Mn3SbO70 to be Li2Mn3SbO8" +mp-1221735,MnCu2SbO4,-6.4116012775,-1.2520781879,0.24672915,0.24672915,GGA+U,P-3m1,A2BC4D_hP8_164_d_a_2d_b:Cu-Mn-O-Sb,8.0,A2BC4D_hP8_164_d_a_2d_b:Cu-Mn-O-Sb +mp-756961,Li4Mn5Sb3O16,-7.2464160839,-2.0685664044,0.0381439402,0.0381439402,GGA+U,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Mn-O-Sb, expected Li4Mn5Sb3O20 to be Li4Mn5Sb3O16" +mp-756817,Li5Cu5(SbO6)2,-5.6943353946,-1.6252139488,0.0574727591,0.0574727591,GGA,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Cu-Li-O-Sb,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2b2c_a4c_12c_ab:Cu-Li-O-Sb, expected Li9Cu7(SbO12)2 to be Li5Cu5(SbO6)2" +mp-756948,Li4Cu3SbO8,-5.6037573888,-1.6265184883,0.0793205187,0.0793205187,GGA,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Cu-Li-O-Sb,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Cu-Li-O-Sb, expected Li4Cu3SbO16 to be Li4Cu3SbO8" +mp-756607,Li3Mn4SbO8,-7.4254499294,-2.0456161357,0.0514882812,0.0514882812,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Mn-O-Sb,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_ae_bcf_4i2j_d:Li-Mn-O-Sb, expected Li3Mn4SbO16 to be Li3Mn4SbO8" +mp-756729,Li3Mn3SbO8,-7.1978916493,-2.0702032889,0.06798227,0.06798227,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Li-Mn-O-Sb,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_d_e_2c2h_a:Li-Mn-O-Sb, expected Li3Mn3SbO16 to be Li3Mn3SbO8" +mp-1639020,Li6Mn5SbO12,-7.1452982838,-2.1139283073,0.0344185023,0.0344185023,GGA+U,C2,A6B5C12D_mC48_5_3c_2a3b_6c_a:Li-Mn-O-Sb,48.0,"Invalid WP multiplicities - A6B5C12D_mC48_5_3c_4a6b_6c_a:Li-Mn-O-Sb, expected Li6Mn10SbO12 to be Li6Mn5SbO12" +mp-760026,Li6Mn5SbO12,-7.1358964475,-2.104526471,0.0438203385,0.0438203385,GGA+U,C2/m,A6B5C12D_mC48_12_ij_agh_2i2j_d:Li-Mn-O-Sb,24.0,"Invalid WP multiplicities - A6B5C12D_mC48_12_2i3j_a2gh_3i6j_c:Li-Mn-O-Sb, expected Li16Mn7SbO30 to be Li6Mn5SbO12" +mp-1648716,Li6Mn5SbO12,-7.1484832519,-2.1171132754,0.0312335342,0.0312335342,GGA+U,C2/c,A6B5C12D_mC96_15_3f_c2ef_6f_e:Li-Mn-O-Sb,48.0,"Invalid WP multiplicities - A6B5C12D_mC96_15_7f_2a4e2f_14f_e:Li-Mn-O-Sb, expected Li14Mn10SbO28 to be Li6Mn5SbO12" +mp-753557,Li2CuSbO5,-5.8440639711,-1.7574531712,0.0647310064,0.0647310064,GGA,P1,AB2C5D_aP18_1_2a_4a_10a_2a:Cu-Li-O-Sb,18.0,AB2C5D_aP18_1_2a_4a_10a_2a:Cu-Li-O-Sb +mp-760049,Li13Mn3(SbO8)2,-6.2208362129,-2.1118048893,0.0734696357,0.0734696357,GGA+U,Cm,A13B3C16D2_mC68_8_7a3b_ab_8a4b_2a:Li-Mn-O-Sb,34.0,"Invalid WP multiplicities - A13B3C16D2_mC68_8_7a5b_ab_8a8b_2a:Li-Mn-O-Sb, expected Li17Mn3(SbO12)2 to be Li13Mn3(SbO8)2" +mp-1018786,LiMnSb,-5.2347803367,-0.1681338704,0.1925712715,0.1925712715,GGA,P4/nmm,ABC_tP6_129_a_b_c:Li-Mn-Sb,6.0,ABC_tP6_129_a_b_c:Li-Mn-Sb +mp-767395,Li3CuSbO5,-5.8080552785,-1.9392132719,0.0209558985,0.0209558985,GGA,P1,AB3C5D_aP20_1_2a_6a_10a_2a:Cu-Li-O-Sb,20.0,AB3C5D_aP20_1_2a_6a_10a_2a:Cu-Li-O-Sb +mp-772549,LiMnSbO4,-7.0745696161,-2.0764704384,0.0240150157,0.0027435121,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Sb,28.0,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Sb +mp-755701,LiMnSbO4,-7.0985846318,-2.1004854541,0.0,-0.0212715036,GGA+U,P4_322,ABC4D_tP28_95_a_c_2d_b:Li-Mn-O-Sb,28.0,ABC4D_tP28_95_a_c_2d_b:Li-Mn-O-Sb +mp-1177635,Li3Mn2SbO6,-6.8626625408,-2.0410014832,0.095186025,0.095186025,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Mn-O-Sb,12.0,"Invalid WP multiplicities - A3B2C6D_mC24_12_ai_i_5i_d:Li-Mn-O-Sb, expected Li3Mn2SbO10 to be Li3Mn2SbO6" +mp-756553,Li5Cu3(SbO5)2,-5.762760836,-1.7844046392,0.0461331924,0.0461331924,GGA,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Cu-Li-O-Sb,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Cu-Li-O-Sb, expected Li9Cu3(SbO9)2 to be Li5Cu3(SbO5)2" +mp-1309272,Li4Mn3SbO8,-7.0288673028,-2.1023517858,0.0399153731,0.0399153731,GGA+U,P1,A4B3C8D_aP16_1_4a_3a_8a_a:Li-Mn-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_aP16_1_4a_6a_8a_a:Li-Mn-O-Sb, expected Li4Mn6SbO8 to be Li4Mn3SbO8" +mp-1299412,Li4Mn3SbO8,-7.0285240016,-2.1020084845,0.0402586744,0.0402586744,GGA+U,C2/m,A4B3C8D_mC32_12_abf_ce_2ij_d:Li-Mn-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ab2e_2c3f_3i3j_d:Li-Mn-O-Sb, expected Li6Mn8SbO18 to be Li4Mn3SbO8" +mp-1315046,Li4Mn3SbO8,-7.0350236747,-2.1085081576,0.0337590012,0.0337590012,GGA+U,P2/c,A4B3C8D_mP32_13_ac2f_bde_4g_e:Li-Mn-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mP32_13_2a2c2f_2b2de_11g_e:Li-Mn-O-Sb, expected Li6Mn5SbO22 to be Li4Mn3SbO8" +mp-1290409,Li4Mn3SbO8,-7.0369855447,-2.1104700276,0.0317971312,0.0317971312,GGA+U,C2/c,A4B3C8D_mC64_15_cdf_abe_4f_e:Li-Mn-O-Sb,32.0,"Invalid WP multiplicities - A4B3C8D_mC64_15_ab2f_cde_11f_e:Li-Mn-O-Sb, expected Li6Mn3SbO22 to be Li4Mn3SbO8" +mp-773086,Li4Mn3SbO8,-7.0210367253,-2.0945212083,0.0477459506,0.0477459506,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Mn-O-Sb,32.0,A4B3C8D_hR48_166_ae_d_ch_b:Li-Mn-O-Sb +mp-1047012,Ca2Nb2NiO8,-8.2314436646,-2.8801008792,0.0982929975,0.0982929975,GGA+U,C2/c,A2B2CD8_mC52_15_f_f_e_4f:Ca-Nb-Ni-O,26.0,"Invalid WP multiplicities - A2B2CD8_mC52_15_f_f_e_5f:Ca-Nb-Ni-O, expected Ca2Nb2NiO10 to be Ca2Nb2NiO8" +mp-1207555,ZnAs2Pb2O9,-6.0313030496,-1.5653406953,0.0894625835,0.0894625835,GGA,P2_1/m,A2B9C2D_mP28_11_2e_5e2f_2e_a:As-O-Pb-Zn,28.0,A2B9C2D_mP28_11_2e_5e2f_2e_a:As-O-Pb-Zn +mp-1105438,Zn2As2PbO10,-5.5073608327,-1.1728769518,0.3731766321,0.3731766321,GGA,C2/m,A2B10CD2_mC30_12_i_3ij_a_f:As-O-Pb-Zn,15.0,A2B10CD2_mC30_12_i_3ij_a_e:As-O-Pb-Zn +mp-1207481,Zn3SbAs2Pb3O14,-5.9779989409,-1.7337358084,0.0231220984,0.0231220984,GGA,P321,A2B14C3DE3_hP23_150_d_d2g_e_a_f:As-O-Pb-Sb-Zn,23.0,A2B14C3DE3_hP23_150_d_d2g_e_a_f:As-O-Pb-Sb-Zn +mp-1047020,ZnSbAsO5,-6.0180237544,-1.670360403,0.134679704,0.134679704,GGA,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:As-O-Sb-Zn,32.0,AB5CD_oP32_19_a_5a_a_a:As-O-Sb-Zn +mp-545369,CuBiTeO,-4.8592403087000005,-0.8518177076000001,0.0214496844,0.0214496844,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:Bi-Cu-O-Te,8.0,ABCD_tP8_129_c_a_b_c:Bi-Cu-O-Te +mp-572778,Cu3BiTe2ClO8,-5.51346149,-1.2570103382,0.0611196862,0.0611196862,GGA,Pnma,ABC3D8E2_oP60_62_c_c_cd_4d_d:Bi-Cl-Cu-O-Te,60.0,"Invalid WP multiplicities - ABC3D8E2_oP60_62_c_c_4c4d_24d_d:Bi-Cl-Cu-O-Te, expected Cu12BiTe2ClO48 to be Cu3BiTe2ClO8" +mp-1213110,CuBi2Te2O,-4.1771195667,-0.341538662,0.4065985167,0.4065985167,GGA,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Bi-Cu-O-Te,6.0,A2BCD2_tP6_123_g_a_b_g:Bi-Cu-O-Te +mp-1191023,Bi3Te4(ClO2)5,-5.3014230405,-1.5375929779000002,0.0018358416,0.0018358416,GGA,C2/m,A3B5C10D4_mC44_12_ai_d2i_5i_2i:Bi-Cl-O-Te,22.0,A3B5C10D4_mC44_12_ai_c2i_5i_2i:Bi-Cl-O-Te +mp-17164,NaNbGeO5,-7.6793189884,-2.5817812704,0.0,-0.0096471537,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Ge-Na-Nb-O,32.0,ABCD5_mP32_14_e_e_e_5e:Ge-Na-Nb-O +mp-1221459,Na2Ca(Ge3O7)2,-6.6886401635,-2.2694027915,0.013007282,0.013007282,GGA,C2,AB6C2D14_mC46_5_a_ab2c_c_7c:Ca-Ge-Na-O,23.0,"Invalid WP multiplicities - AB6C2D14_mC46_5_a_ab2c_c_13c:Ca-Ge-Na-O, expected Na2Ca(Ge3O13)2 to be Na2Ca(Ge3O7)2" +mp-1208834,Sr2CrSbO6,-7.3581746082,-2.6740578198,0.0,-0.017901385,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Cr-O-Sb-Sr,40.0,AB6CD2_tI20_87_a_eh_b_d:Cr-O-Sb-Sr +mp-1518341,Sr2CrSbO6,-7.33176673,-2.6476499416,0.0264078782,0.0085064932,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cr-O-Sb-Sr +mp-1096037,BaSrIn2,-1.097591465,1.1803674983,1.6030768784,1.6030768784,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-In-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-In-Sr +mp-1519864,BaSrInSbO6,-6.54600253,-2.5290739669,0.0218192818,0.0218192818,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-In-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-In-O-Sb-Sr +mp-1227894,BaSr2In6O12,-6.1773862652,-2.3122277528,0.017201448,0.017201448,GGA,P3,AB6C12D2_hP21_143_a_2d_4d_bc:Ba-In-O-Sr,21.0,AB6C12D2_hP21_143_a_2d_4d_bc:Ba-In-O-Sr +mp-1227817,BaSr2In2O6,-6.2168739545000005,-2.5367410842,0.0448605759,0.0448605759,GGA,I4mm,AB2C6D2_tI22_107_a_2a_2a2b_2a:Ba-In-O-Sr,11.0,AB2C6D2_tI22_107_a_2a_2a2b_2a:Ba-In-O-Sr +mp-1279561,Sr2HfFeO6,-8.1207746975,-2.9721417561,0.046882458,0.046882458,GGA+U,C2/m,ABC6D2_mC40_12_ad_i_2i2j_2i:Fe-Hf-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_mC40_12_ac_i_3i6j_3i:Fe-Hf-O-Sr, expected Sr3HfFeO15 to be Sr2HfFeO6" +mp-1078912,Sr2HfFeO6,-8.1256466775,-2.9770137361,0.042010478,0.042010478,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Fe-Hf-O-Sr,20.0,ABC6D2_cF40_225_a_b_e_c:Fe-Hf-O-Sr +mp-1523358,SrSmHfFeO6,-8.591910432,-3.1403682224,0.1687728942,0.1687728942,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Fe-Hf-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Fe-Hf-O-Sm-Sr +mp-1226416,Cr2FeSeS3,-7.02317279,-0.7829760431,0.099837889,0.099837889,GGA,Cm,A2BC3D_mC14_8_2a_a_3a_a:Cr-Fe-S-Se,7.0,A2BC3D_mC14_8_2a_a_3a_a:Cr-Fe-S-Se +mp-1226413,Cr2FeSeS3,-7.0542489264,-0.8140521795000001,0.0687617526,0.0687617526,GGA,Imm2,A2BC3D_oI28_44_cd_ab_c2d_c:Cr-Fe-S-Se,14.0,A2BC3D_oI28_44_cd_ab_c2d_c:Cr-Fe-S-Se +mp-1224989,FeCuSeS,-5.4869336888,-0.4365363826,0.1399846912,0.1399846912,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Cu-Fe-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Cu-Fe-S-Se +mp-1226331,Cr4FeCu(SeS)4,-6.6251239893000005,-0.7886337651,0.0510291346,0.0510291346,GGA,F-43m,A4BCD4E4_cF56_216_e_a_c_e_e:Cr-Cu-Fe-S-Se,14.0,A4BCD4E4_cF56_216_e_a_c_e_e:Cr-Cu-Fe-S-Se +mp-6685,Cr4FeCuS8,-6.9068115314,-0.8873103389,0.0367583836,0.0367583836,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Fe-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Fe-S +mp-1226392,Cr2Cu(SeS)2,-6.3534536314,-0.8291644458,0.0080584618,0.0080584618,GGA,F-43m,A2BC2D2_cF56_216_e_ac_e_e:Cr-Cu-S-Se,14.0,A2BC2D2_cF56_216_e_ac_e_e:Cr-Cu-S-Se +mp-1226315,Cr4FeCuSe8,-6.3625578414,-0.7090785856,0.0293283986,0.0293283986,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Fe-Se,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Cu-Fe-Se +mp-1226582,Cr8Fe3CuS16,-7.0252055704,-0.8496038586,0.07568486,0.07568486,GGA,P-4m2,A8BC3D16_tP28_115_jk_a_cg_2j2k:Cr-Cu-Fe-S,28.0,"Invalid WP multiplicities - A8BC3D16_tP28_115_3j3k_a_cg_7j8k:Cr-Cu-Fe-S, expected Cr24Fe3CuS60 to be Cr8Fe3CuS16" +mp-1226186,Cr8Fe3CuS16,-7.0417059525,-0.8661042407,0.0591844779,0.0591844779,GGA,R3m,A8BC3D16_hR84_160_2a2b_a_3a_4a4b:Cr-Cu-Fe-S,28.0,"Invalid WP multiplicities - A8BC3D16_hR84_160_2a6b_a_3a_4a12b:Cr-Cu-Fe-S, expected Cr20Fe3CuS40 to be Cr8Fe3CuS16" +mp-1226396,Cr2FeSe3S,-6.7458823686,-0.68869659,0.1067277771,0.1067277771,GGA,Cm,A2BCD3_mC14_8_2a_a_a_3a:Cr-Fe-S-Se,7.0,A2BCD3_mC14_8_2a_a_a_3a:Cr-Fe-S-Se +mp-1227557,BiTe2Pb2AuS3,-4.2891772622,-0.5963298559,0.0176018673,0.0176018673,GGA,Pmn2_1,ABC2D3E2_oP18_31_a_a_2a_3a_2a:Au-Bi-Pb-S-Te,18.0,"Invalid WP multiplicities - ABC2D3E2_oP18_31_a_a_2a_4a_3a:Au-Bi-Pb-S-Te, expected BiTe3Pb2AuS4 to be BiTe2Pb2AuS3" +mp-1214261,BiPb3Au,-3.6981403225,-0.0476778545,0.0023172055,0.0023172055,GGA,P4_2/mnm,ABC3_tP20_136_f_g_fi:Au-Bi-Pb,20.0,ABC3_tP20_136_f_g_fi:Au-Bi-Pb +mp-1521637,Ca2ZrFeO6,-7.871521098,-2.8006157112,0.149494715,0.149494715,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-Zr +mp-1519616,CaEuZrFeO6,-8.792760944,-2.8967153653,0.1620101582,0.1620101582,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Fe-O-Zr,,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Fe-O-Zr +mp-757072,Li3Mn(FeO3)2,-7.1203511942,-1.9946046459,0.0226126542,0.0226126542,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Fe-Li-Mn-O,12.0,"Invalid WP multiplicities - A2B3CD6_mC24_12_i_ai_d_5i:Fe-Li-Mn-O, expected Li3Mn(FeO5)2 to be Li3Mn(FeO3)2" +mp-758874,Li2Mn2FeO6,-7.4566553261,-1.9755617083,0.0611275908,0.0611275908,GGA+U,P-1,AB2C2D6_aP33_2_ai_3i_3i_9i:Fe-Li-Mn-O,33.0,"Invalid WP multiplicities - AB2C2D6_aP33_2_ai_3i_6i_18i:Fe-Li-Mn-O, expected Li2Mn4FeO12 to be Li2Mn2FeO6" +mp-1571056,Li2Mn2FeO6,-7.431902015,-1.9508083973,0.0858809018,0.0858809018,GGA+U,C222_1,AB2C2D6_oC44_20_a_2b_2a_3c:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_20_a_2b_2a_5c:Fe-Li-Mn-O, expected Li2Mn2FeO10 to be Li2Mn2FeO6" +mp-1573004,Li2Mn2FeO6,-7.440142765,-1.9590491473,0.0776401518,0.0776401518,GGA+U,Aea2,AB2C2D6_oC44_41_a_b_2a_3b:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_41_a_b_4a_5b:Fe-Li-Mn-O, expected Li2Mn4FeO10 to be Li2Mn2FeO6" +mp-754476,Li2Mn2FeO6,-7.41131041,-1.9302167923,0.1064725068,0.1064725068,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_64_a_e_d_2f3g:Fe-Li-Mn-O, expected Li2Mn2FeO16 to be Li2Mn2FeO6" +mp-1290410,Li5Mn2Fe3O10,-7.1124669625,-1.9751871795,0.0563590016,0.0563590016,GGA+U,P1,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O,40.0,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O +mp-1302313,Li5Mn2Fe3O10,-7.1258553737,-1.9885755908,0.0429705904,0.0429705904,GGA+U,P1,A3B5C2D10_aP20_1_3a_5a_2a_10a:Fe-Li-Mn-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_1_6a_5a_4a_10a:Fe-Li-Mn-O, expected Li5Mn4(Fe3O5)2 to be Li5Mn2Fe3O10" +mp-1303877,Li5Mn2Fe3O10,-7.1263893462,-1.9891095633,0.0424366179,0.0424366179,GGA+U,P1,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O,40.0,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O +mp-1304518,Li5Mn2Fe3O10,-7.1288379757,-1.9915581928,0.0399879884,0.0399879884,GGA+U,P1,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O,40.0,A3B5C2D10_aP40_1_6a_10a_4a_20a:Fe-Li-Mn-O +mp-755514,Li5Mn2Fe3O10,-7.1419764745,-2.0046966915,0.0268494896,0.0268494896,GGA+U,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Fe-Li-Mn-O,40.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_2b2i_d2i_i_5i:Fe-Li-Mn-O, expected Li5Mn2(Fe3O5)2 to be Li5Mn2Fe3O10" +mp-753750,Li5Mn5(FeO6)2,-7.5124545167,-2.0268296105,0.0319236004,0.0319236004,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Fe-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a4c_a2bc_12c:Fe-Li-Mn-O, expected Li9Mn5(FeO12)2 to be Li5Mn5(FeO6)2" +mp-774685,Li3Mn5FeO12,-7.710766275,-2.026617189,0.0043853638,0.0043853638,GGA+U,C2/c,AB3C5D12_mC84_15_a_ef_c2f_6f:Fe-Li-Mn-O,42.0,"Invalid WP multiplicities - AB3C5D12_mC84_15_c_2e3f_2a7f_23f:Fe-Li-Mn-O, expected Li8Mn16FeO46 to be Li3Mn5FeO12" +mp-763959,Li3Mn3FeO8,-7.3926015807,-1.9755118889,0.097502476,0.097502476,GGA+U,P1,AB3C3D8_aP30_1_2a_6a_6a_16a:Fe-Li-Mn-O,30.0,AB3C3D8_aP30_1_2a_6a_6a_16a:Fe-Li-Mn-O +mp-1177852,Li3Mn3FeO8,-7.4032922353,-1.9862025436,0.0868118213,0.0868118213,GGA+U,P-1,AB3C3D8_aP15_2_d_ceg_abf_4i:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - AB3C3D8_aP15_2_d_ceg_abf_8i:Fe-Li-Mn-O, expected Li3Mn3FeO16 to be Li3Mn3FeO8" +mp-863869,Li3Mn3FeO8,-7.4043483327,-1.9872586409,0.085755724,0.085755724,GGA+U,C2/m,AB3C3D8_mC30_12_a_ce_bf_2ij:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_a_c2f_b2e_4i3j:Fe-Li-Mn-O, expected Li5Mn5FeO20 to be Li3Mn3FeO8" +mp-863333,Li3Mn3FeO8,-7.305485216,-1.8883955243,0.1846188407,0.1846188407,GGA+U,R-3m,AB3C3D8_hR45_166_a_d_e_ch:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_d_e_2c2h:Fe-Li-Mn-O, expected Li3Mn3FeO16 to be Li3Mn3FeO8" +mp-759910,Li3Mn3FeO8,-7.3312612337,-1.9141715419,0.158842823,0.158842823,GGA+U,P6_3mc,AB3C3D8_hP30_186_b_c_c_ab2c:Fe-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_186_b_c_c_a2b9c:Fe-Li-Mn-O, expected Li3Mn3FeO30 to be Li3Mn3FeO8" +mp-766973,Li8Mn(FeO4)3,-6.4315952925,-1.8814400262,0.0726937577,0.0726937577,GGA+U,P2,A3B8CD12_mP24_3_abc_2a2b2c2d_d_6e:Fe-Li-Mn-O,24.0,"Invalid WP multiplicities - A3B8CD12_mP24_3_abc_2a2b2c2d_d_11e:Fe-Li-Mn-O, expected Li8MnFe3O22 to be Li8Mn(FeO4)3" +mp-1661760,Li2Mn3FeO8,-7.6460093846,-1.9783363482,0.0337507971,0.0337507971,GGA+U,P1,AB2C3D8_aP28_1_2a_4a_6a_16a:Fe-Li-Mn-O,28.0,AB2C3D8_aP28_1_2a_4a_6a_16a:Fe-Li-Mn-O +mp-1664598,Li2Mn3FeO8,-7.64606885,-1.9783958136,0.0336913317,0.0336913317,GGA+U,P2_1,AB2C3D8_mP28_4_a_2a_3a_8a:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mP28_4_a_2a_4a_12a:Fe-Li-Mn-O, expected Li2Mn4FeO12 to be Li2Mn3FeO8" +mp-1661410,Li2Mn3FeO8,-7.6447416354,-1.977068599,0.0350185464,0.0350185464,GGA+U,Cc,AB2C3D8_mC56_9_a_2a_3a_8a:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mC56_9_a_2a_6a_13a:Fe-Li-Mn-O, expected Li2Mn6FeO13 to be Li2Mn3FeO8" +mp-1663998,Li2Mn3FeO8,-7.6481253171,-1.9804522807,0.0316348646,0.0316348646,GGA+U,Cmc2_1,AB2C3D8_oC56_36_a_2a_ab_4a2b:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_oC56_36_a_2a_2a3b_6a6b:Fe-Li-Mn-O, expected Li2Mn8FeO18 to be Li2Mn3FeO8" +mp-777396,Li2Mn3FeO8,-7.6724345911,-2.0047615547,0.0073255907,0.0073255907,GGA+U,P4_32_12,AB2C3D8_tP56_96_a_b_ab_4b:Fe-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_tP56_96_a_b_2a3b_29b:Fe-Li-Mn-O, expected Li2Mn8FeO58 to be Li2Mn3FeO8" +mp-1177938,Li2Mn3FeO8,-7.6060936136,-1.9384205772,0.0736665682,0.0736665682,GGA+U,R3m,AB2C3D8_hR42_160_a_2a_b_2a2b:Fe-Li-Mn-O,14.0,AB2C3D8_hR42_160_a_2a_b_2a2b:Fe-Li-Mn-O +mp-756879,Li2Mn3FeO8,-7.6552562864,-1.98758325,0.0245038953,0.0245038953,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Fe-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2ch:Fe-Li-Mn-O, expected Li2Mn3FeO10 to be Li2Mn3FeO8" +mp-770175,Li2Mn3FeO8,-7.631227375,-1.9635543386,0.0485328067,0.0485328067,GGA+U,P6_3mc,AB2C3D8_hP28_186_b_ab_c_ab2c:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_hP28_186_b_a2b_c_a2b9c:Fe-Li-Mn-O, expected Li3Mn3FeO30 to be Li2Mn3FeO8" +mp-775099,Li2Mn3FeO8,-7.6257949034,-1.958121867,0.0539652783,0.0539652783,GGA+U,P4_332,AB2C3D8_cP56_212_a_c_d_ce:Fe-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_212_a_c_d_8c9e:Fe-Li-Mn-O, expected Li2Mn3FeO70 to be Li2Mn3FeO8" +mp-1177469,Li4Mn3(FeO4)3,-7.3750353686,-1.9253960274,0.075847118,0.075847118,GGA+U,P-1,A3B4C3D12_aP22_2_bi_2i_ei_6i:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - A3B4C3D12_aP22_2_bi_2i_e2i_11i:Fe-Li-Mn-O, expected Li4Mn5Fe3O22 to be Li4Mn3(FeO4)3" +mp-771089,Li4MnFe5O12,-7.1589114227,-1.7721806344000002,0.1133070889,0.1133070889,GGA+U,C2,A5B4CD12_mC44_5_2a3b_2c_a_6c:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_5_2a3b_2c_a_11c:Fe-Li-Mn-O, expected Li4MnFe5O22 to be Li4MnFe5O12" +mp-755809,Li4MnFe5O12,-7.0429294468,-1.6561986585,0.2292890648,0.2292890648,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2gh_j_c_4i5j:Fe-Li-Mn-O, expected Li4Mn(FeO4)7 to be Li4MnFe5O12" +mp-849955,Li3Mn5(FeO6)2,-7.7532939738,-1.9425143367,0.0894468767,0.0894468767,GGA+U,P1,A2B3C5D12_aP66_1_6a_9a_15a_36a:Fe-Li-Mn-O,66.0,A2B3C5D12_aP66_1_6a_9a_15a_36a:Fe-Li-Mn-O +mp-756377,Li3Mn4FeO8,-7.6755910706,-2.0244435289,0.0371665361,0.0371665361,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_c2e_bdf_3i2j:Fe-Li-Mn-O, expected Li5Mn4FeO14 to be Li3Mn4FeO8" +mp-767363,Li3Mn2(FeO4)2,-7.2914200947,-1.9204633417,0.101225392,0.101225392,GGA+U,P-1,A2B3C2D8_aP15_2_ab_cef_dg_4i:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_ab_cef_dg_7i:Fe-Li-Mn-O, expected Li3Mn2(FeO7)2 to be Li3Mn2(FeO4)2" +mp-1392663,Li3Mn2(FeO4)2,-5.0174036127,0.3535531403,2.375241874,2.375241874,GGA+U,P-1,A2B3C2D8_aP15_2_cd_beg_af_4i:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_cd_beg_af_7i:Fe-Li-Mn-O, expected Li3Mn2(FeO7)2 to be Li3Mn2(FeO4)2" +mp-753880,Li3Mn2(FeO4)2,-7.2385928493,-1.8676360964,0.1540526373,0.1540526373,GGA+U,C2/m,A2B3C2D8_mC30_12_ac_bf_e_2ij:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_mC30_12_ac_bf_e_4i3j:Fe-Li-Mn-O, expected Li3Mn2(FeO10)2 to be Li3Mn2(FeO4)2" +mp-771896,Li5Mn8Fe11O32,-7.8315349086,-1.8618026096,0.0504084029,0.0504084029,GGA+U,Cm,A11B5C8D32_mC112_8_3a4b_5a_8a_16a8b:Fe-Li-Mn-O,56.0,"Invalid WP multiplicities - A11B5C8D32_mC112_8_3a4b_5a_8a_16a11b:Fe-Li-Mn-O, expected Li5Mn8Fe11O38 to be Li5Mn8Fe11O32" +mp-758305,Li2Mn5(FeO6)2,-7.8820287648,-1.8854464243,0.1060571819,0.1060571819,GGA+U,P2_1,A2B2C5D12_mP42_4_2a_2a_5a_12a:Fe-Li-Mn-O,42.0,"Invalid WP multiplicities - A2B2C5D12_mP42_4_3a_4a_10a_24a:Fe-Li-Mn-O, expected Li4Mn10(FeO8)3 to be Li2Mn5(FeO6)2" +mp-769550,Li2Mn5(FeO6)2,-7.9529143383,-1.9563319979,0.0351716083,0.0351716083,GGA+U,Cc,A2B2C5D12_mC84_9_2a_2a_5a_12a:Fe-Li-Mn-O,42.0,A2B2C5D12_mC84_9_4a_4a_10a_24a:Fe-Li-Mn-O +mp-756625,Li4Mn3FeO8,-7.235729135,-2.0378998698,0.068872937,0.068872937,GGA+U,R-3m,AB4C3D8_hR48_166_a_bd_e_ch:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_hR48_166_a_bd_e_2c2h:Fe-Li-Mn-O, expected Li4Mn3FeO16 to be Li4Mn3FeO8" +mp-1177555,Li4Mn5(Fe2O9)2,-7.5368785368,-1.8476446797,0.0951304087,0.0951304087,GGA+U,Pm,A4B4C5D18_mP62_6_4a4b_8a_6a4b_16a20b:Fe-Li-Mn-O,62.0,A4B4C5D18_mP62_6_4a4b_8a_6a4b_16a20b:Fe-Li-Mn-O +mp-769449,Li4Mn5(Fe2O9)2,-7.5363987916,-1.8471649345,0.0956101539,0.0956101539,GGA+U,P2/m,A4B4C5D18_mP62_10_2m2n_4m_cd2m2n_8m10n:Fe-Li-Mn-O,62.0,"Invalid WP multiplicities - A4B4C5D18_oP62_55_3g2h_5g_2a4g2h_12g20h:Fe-Li-Mn-O, expected Li5Mn7Fe5O32 to be Li4Mn5(Fe2O9)2" +mp-768066,Li4Mn5(Fe2O9)2,-7.5299307881,-1.840696931,0.1020781574,0.1020781574,GGA+U,Pbam,A4B4C5D18_oP62_55_gh_2g_agh_4g5h:Fe-Li-Mn-O,62.0,"Invalid WP multiplicities - A4B4C5D18_oP62_55_3g2h_5g_2a4g2h_12g20h:Fe-Li-Mn-O, expected Li5Mn7Fe5O32 to be Li4Mn5(Fe2O9)2" +mp-770934,Li5Mn2Fe5O12,-7.3039793704,-1.9048537245,0.0464328782,0.0464328782,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Fe-Li-Mn-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Fe-Li-Mn-O, expected Li9Mn2Fe5O12 to be Li5Mn2Fe5O12" +mp-763910,Li4MnFe3O8,-7.0980233863,-1.9866933813,0.0126128173,0.0126128173,GGA+U,C2/m,A3B4CD8_mC32_12_af_cde_b_2ij:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2e_cd2f_b_3i2j:Fe-Li-Mn-O, expected Li6MnFe5O14 to be Li4MnFe3O8" +mp-800159,Li5Mn3(FeO5)2,-3.8770426185,1.2948368686,3.369369693,3.369369693,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ci_5i:Fe-Li-Mn-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Fe-Li-Mn-O, expected Li9Mn3(FeO9)2 to be Li5Mn3(FeO5)2" +mp-757564,Li5Mn3(FeO5)2,-7.218806035,-2.0469265479,0.0276062765,0.0276062765,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ci_5i:Fe-Li-Mn-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Fe-Li-Mn-O, expected Li9Mn3(FeO9)2 to be Li5Mn3(FeO5)2" +mp-756080,LiMn2Fe3O8,-7.9133908821,-1.8264961128,0.0706415139,0.0706415139,GGA+U,Imm2,A3BC2D8_oI28_44_ac_b_d_2c2d:Fe-Li-Mn-O,14.0,A3BC2D8_oI28_44_ac_b_d_2c2d:Fe-Li-Mn-O +mp-1305328,Li6Mn(FeO3)2,-6.3739786497,-1.8915968377,0.0474918251,0.0474918251,GGA+U,P1,A2B6CD6_aP15_1_2a_6a_a_6a:Fe-Li-Mn-O,30.0,A2B6CD6_aP15_1_2a_6a_a_6a:Fe-Li-Mn-O +mp-1306251,Li6Mn(FeO3)2,-6.374864758,-1.892482946,0.0466057167,0.0466057167,GGA+U,P-1,A2B6CD6_aP30_2_2i_6i_bd_6i:Fe-Li-Mn-O,30.0,"Invalid WP multiplicities - A2B6CD6_aP30_2_2i_12i_bd_11i:Fe-Li-Mn-O, expected Li12MnFe2O11 to be Li6Mn(FeO3)2" +mp-1310460,Li6Mn(FeO3)2,-6.3726231967,-1.8902413847,0.0488472781,0.0488472781,GGA+U,P-1,A2B6CD6_aP30_2_2i_6i_be_6i:Fe-Li-Mn-O,30.0,A2B6CD6_aP15_2_i_3i_a_3i:Fe-Li-Mn-O +mp-760214,Li6Mn(FeO3)2,-6.378746991,-1.896365179,0.0427234837,0.0427234837,GGA+U,C2/m,A2B6CD6_mC30_12_i_3i_a_3i:Fe-Li-Mn-O,30.0,A2B6CD6_mC30_12_i_3i_a_3i:Fe-Li-Mn-O +mp-759297,Li2Mn(FeO3)2,-7.3133814048,-1.89519634,0.0706006515,0.0706006515,GGA+U,P-1,A2B2CD6_aP33_2_3i_3i_ai_9i:Fe-Li-Mn-O,33.0,"Invalid WP multiplicities - A2B2CD6_aP33_2_6i_5i_ai_18i:Fe-Li-Mn-O, expected Li10Mn3(FeO3)12 to be Li2Mn(FeO3)2" +mp-771651,Li8Mn13Fe3O32,-7.7022041377,-2.0221740641,0.0040996368,0.0040996368,GGA+U,P-1,A3B8C13D32_aP56_2_ai_4i_beh5i_16i:Fe-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B8C13D32_aP56_2_ai_7i_beh9i_32i:Fe-Li-Mn-O, expected Li14Mn21Fe3O64 to be Li8Mn13Fe3O32" +mp-1177588,Li3MnFe3O8,-7.0999887693,-1.7751649552000002,0.1852389438,0.1852389438,GGA+U,P-1,A3B3CD8_aP15_2_abf_ceg_d_4i:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_aP15_2_abf_ceg_d_7i:Fe-Li-Mn-O, expected Li3MnFe3O14 to be Li3MnFe3O8" +mp-753888,Li3MnFe3O8,-7.2056667173,-1.8808429032,0.0795609958,0.0795609958,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_ae_cf_b_4ij:Fe-Li-Mn-O, expected Li3Mn(FeO4)3 to be Li3MnFe3O8" +mp-757216,Li3MnFe3O8,-7.2623599167,-1.9375361025,0.0228677965,0.0228677965,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Fe-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_2c2h:Fe-Li-Mn-O, expected Li3MnFe3O16 to be Li3MnFe3O8" +mp-759988,Li3MnFe3O8,-7.2260153687,-1.9011915545,0.0592123445,0.0592123445,GGA+U,P6_3mc,A3B3CD8_hP30_186_c_c_b_ab2c:Fe-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B3CD8_hP30_186_c_c_b_2a2b9c:Fe-Li-Mn-O, expected Li3MnFe3O31 to be Li3MnFe3O8" +mp-756386,Li3Mn(FeO2)4,-7.3394607119,-1.8180620605,0.0739786345,0.0739786345,GGA+U,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ade_c2f_b_3i2j:Fe-Li-Mn-O, expected Li5Mn(Fe2O7)2 to be Li3Mn(FeO2)4" +mp-753998,Li2Mn3(FeO4)3,-7.5604239785,-1.7567129898,0.0979204051,0.0979204051,GGA+U,P-1,A3B2C3D12_aP20_2_ai_cf_hi_6i:Fe-Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C3D12_aP20_2_ai_cf_hi_11i:Fe-Li-Mn-O, expected Li2Mn3Fe3O22 to be Li2Mn3(FeO4)3" +mp-756774,LiMn3(FeO4)2,-7.9852565007,-1.8489335827,0.1039051429,0.1039051429,GGA+U,R3m,A2BC3D8_hR42_160_2a_a_b_2a2b:Fe-Li-Mn-O,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_160_2a_a_b_2a3b:Fe-Li-Mn-O, expected LiMn3Fe2O11 to be LiMn3(FeO4)2" +mp-772124,Li4Mn5Fe3O16,-7.5726239879,-1.9296650258,0.0540490083,0.0540490083,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Fe-Li-Mn-O, expected Li4Mn5Fe3O20 to be Li4Mn5Fe3O16" +mp-759959,Li10Mn5Fe3O16,-6.9723849944000005,-1.9883735786,0.0656094709,0.0656094709,GGA+U,P1,A3B10C5D16_aP34_1_3a_10a_5a_16a:Fe-Li-Mn-O,34.0,A3B10C5D16_aP34_1_3a_10a_5a_16a:Fe-Li-Mn-O +mp-758917,Li8Mn6(FeO6)3,-7.2385748154,-1.9616052406,0.1165450455,0.1165450455,GGA+U,Cc,A3B8C6D18_mC140_9_3a_8a_6a_18a:Fe-Li-Mn-O,70.0,"Invalid WP multiplicities - A3B8C6D18_mC140_9_4a_16a_12a_36a:Fe-Li-Mn-O, expected Li4Mn3FeO9 to be Li8Mn6(FeO6)3" +mp-768068,Li2MnFe3O8,-7.3277039864,-1.7588872475,0.0913144595,0.0913144595,GGA+U,C2/m,A3B2CD8_mC28_12_ae_f_b_2ij:Fe-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_mC28_12_a2e_f_b_3i4j:Fe-Li-Mn-O, expected Li2MnFe5O22 to be Li2MnFe3O8" +mp-754303,Li2MnFe3O8,-7.3225281957,-1.7537114568,0.0964902502,0.0964902502,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Fe-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2ch:Fe-Li-Mn-O, expected Li2MnFe3O10 to be Li2MnFe3O8" +mp-770757,Li2MnFe3O8,-7.3521192007,-1.7833024618,0.0668992452,0.0668992452,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Fe-Li-Mn-O, expected Li3Mn(FeO10)3 to be Li2MnFe3O8" +mp-773804,Li2MnFe3O8,-7.3878951907,-1.8190784518,0.0311232552,0.0311232552,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Fe-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Fe-Li-Mn-O, expected Li2MnFe3O70 to be Li2MnFe3O8" +mp-753645,Li4Mn3(FeO5)2,-7.3254349926,-1.9818209466,0.0722261642,0.0722261642,GGA+U,P1,A2B4C3D10_aP19_1_2a_4a_3a_10a:Fe-Li-Mn-O,19.0,A2B4C3D10_aP19_1_2a_4a_3a_10a:Fe-Li-Mn-O +mp-772071,Li4Mn3Fe5O16,-7.4434123654,-1.849881552,0.0496216187,0.0496216187,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Fe-Li-Mn-O, expected Li4Mn3Fe7O20 to be Li4Mn3Fe5O16" +mp-754607,Li2MnFeO4,-7.1772673563,-2.0226877212,0.0303517816,0.0303517816,GGA+U,P2/m,AB2CD4_mP8_10_b_ch_d_mn:Fe-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_mP8_10_b_ce_g_2m2n:Fe-Li-Mn-O, expected Li2MnFeO8 to be Li2MnFeO4" +mp-1177898,Li2MnFeO4,-7.1920100112,-2.0374303762,0.0156091266,0.0156091266,GGA+U,C2/c,AB2CD4_mC32_15_a_bc_d_2f:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_15_c_2a2d_b_7f:Fe-Li-Mn-O, expected Li4MnFeO14 to be Li2MnFeO4" +mp-770627,Li2MnFeO4,-7.1763785838,-2.0217989487,0.0312405541,0.0312405541,GGA+U,Imma,AB2CD4_oI32_74_a_bc_d_hi:Fe-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_oI32_74_a_2b2c_d_4h3i:Fe-Li-Mn-O, expected Li4MnFeO14 to be Li2MnFeO4" +mp-754336,Li2MnFeO4,-7.1845705475,-2.0299909124,0.0230485903,0.0230485903,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Fe-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_bc_d_2e2f:Fe-Li-Mn-O, expected Li2MnFeO8 to be Li2MnFeO4" +mp-753432,LiMnFeO4,-7.5597576614,-1.9415127738,0.0072918607,0.0072918607,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Fe-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2h3i:Fe-Li-Mn-O, expected LiMnFeO10 to be LiMnFeO4" +mp-756289,LiMnFeO4,-7.5025092343,-1.8842643466,0.0645402879,0.0645402879,GGA+U,P4_322,ABCD4_tP28_95_c_a_b_2d:Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_c_a_b_3d:Fe-Li-Mn-O, expected LiMnFeO6 to be LiMnFeO4" +mp-767746,Li12Mn2Fe3O16,-6.3305912697,-1.9127673911,0.0936385941,0.0936385941,GGA+U,P1,A3B12C2D16_aP33_1_3a_12a_2a_16a:Fe-Li-Mn-O,33.0,A3B12C2D16_aP33_1_3a_12a_2a_16a:Fe-Li-Mn-O +mp-775411,Li5Mn2Fe17O32,-7.6563537084,-1.7607636325,0.0654054258,0.0654054258,GGA+U,P1,A17B5C2D32_aP56_1_17a_5a_2a_32a:Fe-Li-Mn-O,56.0,A17B5C2D32_aP56_1_17a_5a_2a_32a:Fe-Li-Mn-O +mp-777446,Li3Mn2FeO6,-7.2184319833,-2.0350192615,0.053842444,0.053842444,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Fe-Li-Mn-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_di_i_5i:Fe-Li-Mn-O, expected Li3Mn2FeO10 to be Li3Mn2FeO6" +mp-753542,Li3Mn3(FeO5)2,-7.4515588,-1.9171285773,0.0887381161,0.0887381161,GGA+U,P-1,A2B3C3D10_aP18_2_i_bi_ei_5i:Fe-Li-Mn-O,18.0,"Invalid WP multiplicities - A2B3C3D10_aP18_2_i_b2i_ei_9i:Fe-Li-Mn-O, expected Li5Mn3(FeO9)2 to be Li3Mn3(FeO5)2" +mp-769530,Li3Mn4(FeO6)2,-7.638233096,-1.9870361091,0.0061356287,0.0061356287,GGA+U,P-1,A2B3C4D12_aP42_2_dei_3i_bc3i_12i:Fe-Li-Mn-O,42.0,"Invalid WP multiplicities - A2B3C4D12_aP42_2_dei_5i_bc5i_24i:Fe-Li-Mn-O, expected Li5Mn6(FeO12)2 to be Li3Mn4(FeO6)2" +mp-779755,Li5Mn7Fe3O20,-7.6484395173,-1.9906521106,0.0100857902,0.0100857902,GGA+U,P1,A3B5C7D20_aP70_1_6a_10a_14a_40a:Fe-Li-Mn-O,70.0,A3B5C7D20_aP70_1_6a_10a_14a_40a:Fe-Li-Mn-O +mp-775954,Li5Mn7Fe3O20,-7.5896153853,-1.9318279786,0.0689099222,0.0689099222,GGA+U,C2/m,A3B5C7D20_mC140_12_ac2i_5i_e2i2j_10i5j:Fe-Li-Mn-O,70.0,"Invalid WP multiplicities - A3B5C7D20_mC140_12_ac3i_9i_2e3i3j_19i13j:Fe-Li-Mn-O, expected Li9Mn11Fe4O45 to be Li5Mn7Fe3O20" +mp-756410,Li4Mn5FeO12,-7.48119408,-1.9686461858,0.1030378618,0.1030378618,GGA+U,C2/m,AB4C5D12_mC44_12_a_j_dgh_2i2j:Fe-Li-Mn-O,22.0,"Invalid WP multiplicities - AB4C5D12_mC44_12_a_j_cg2h_4i5j:Fe-Li-Mn-O, expected Li4Mn7FeO28 to be Li4Mn5FeO12" +mp-759127,Li4Mn5(FeO6)2,-7.643918552,-2.0027848614,0.059215415,0.059215415,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Fe-Li-Mn-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Fe-Li-Mn-O, expected Li8Mn10(FeO8)3 to be Li4Mn5(FeO6)2" +mp-765561,Li6Mn5FeO12,-7.254630567099999,-2.0423847585,0.0822991497,0.0822991497,GGA+U,C2/m,AB6C5D12_mC48_12_a_ij_dgh_2i2j:Fe-Li-Mn-O,24.0,"Invalid WP multiplicities - AB6C5D12_mC48_12_a_2i3j_c2g2h_3i6j:Fe-Li-Mn-O, expected Li16Mn9FeO30 to be Li6Mn5FeO12" +mp-758960,Li4Ti2Fe5O12,-7.7045453757,-2.2638042415,0.0510304602,0.0510304602,GGA+U,P2_1,A5B4C12D2_mP46_4_5a_4a_12a_2a:Fe-Li-O-Ti,46.0,"Invalid WP multiplicities - A5B4C12D2_mP46_4_10a_8a_24a_3a:Fe-Li-O-Ti, expected Li8Ti3(Fe5O12)2 to be Li4Ti2Fe5O12" +mp-1177296,Li4Ti4Fe5O18,-7.9256519497,-2.4221628405,0.1020798397,0.1020798397,GGA+U,P1,A5B4C18D4_aP62_1_10a_8a_36a_8a:Fe-Li-O-Ti,62.0,A5B4C18D4_aP62_1_10a_8a_36a_8a:Fe-Li-O-Ti +mp-849144,Li3Ti2(FeO4)2,-7.2904411813,-2.0883541984,0.5403291398,0.5403291398,GGA+U,P-1,A2B3C8D2_aP15_2_df_abg_4i_ce:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_df_abg_7i_ce:Fe-Li-O-Ti, expected Li3Ti2(FeO7)2 to be Li3Ti2(FeO4)2" +mp-762702,Li3Ti2(FeO4)2,-7.7578447213,-2.5557577384,0.0729255998,0.0729255998,GGA+U,P-1,A2B3C8D2_aP15_2_df_abg_4i_ce:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_df_abg_7i_ce:Fe-Li-O-Ti, expected Li3Ti2(FeO7)2 to be Li3Ti2(FeO4)2" +mp-1399132,Li3Ti2(FeO4)2,-4.9734631047,0.2286238782,2.8573072165,2.8573072165,GGA+U,P-1,A2B3C8D2_aP15_2_ef_bcg_4i_ad:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_ef_bcg_7i_ad:Fe-Li-O-Ti, expected Li3Ti2(FeO7)2 to be Li3Ti2(FeO4)2" +mp-753140,Li3Ti2(FeO4)2,-7.7522206167,-2.5501336338,0.0785497045,0.0785497045,GGA+U,C2/m,A2B3C8D2_mC30_12_f_be_2ij_ac:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_de_acg_7i_bf:Fe-Li-O-Ti, expected Li3Ti2(FeO7)2 to be Li3Ti2(FeO4)2" +mp-755734,Li3Ti(FeO2)4,-7.5581950237,-2.1159540771,0.0447189283,0.0447189283,GGA+U,C2/m,A4B3C8D_mC32_12_ade_cf_2ij_b:Fe-Li-O-Ti,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_c2f_3i2j_b:Fe-Li-O-Ti, expected Li5Ti(Fe2O7)2 to be Li3Ti(FeO2)4" +mp-762694,Li3Ti2Fe3O10,-7.7870382111,-2.4317769125,0.0641825663,0.0641825663,GGA+U,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Fe-Li-O-Ti,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_e2i_9i_i:Fe-Li-O-Ti, expected Li5Ti2(FeO6)3 to be Li3Ti2Fe3O10" +mp-756825,Li5Ti2Fe5O12,-7.5744630842,-2.2808810445,0.0287282245,0.0287282245,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Fe-Li-O-Ti,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Fe-Li-O-Ti, expected Li9Ti2Fe5O12 to be Li5Ti2Fe5O12" +mp-1222378,LiTiFeO4,-8.0345743629,-2.5972613717,0.0445177241,0.0445177241,GGA+U,Cm,ABC4D_mC28_8_2a_2a_4a2b_b:Fe-Li-O-Ti,14.0,ABC4D_mC28_8_2a_2a_4a2b_b:Fe-Li-O-Ti +mp-1235595,LiTiFeO4,-8.0032963557,-2.5659833645,0.0757957312,0.0757957312,GGA+U,Cm,ABC4D_mC14_8_a_a_4a_a:Fe-Li-O-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Fe-Li-O-Ti +mp-1235723,LiTiFeO4,-8.0008694386,-2.5635564474,0.0782226484,0.0782226484,GGA+U,Imm2,ABC4D_oI14_44_a_a_2a2b_b:Fe-Li-O-Ti,7.0,ABC4D_oI14_44_a_a_2a2b_b:Fe-Li-O-Ti +mp-1236165,LiTiFeO4,-7.9816681657,-2.5443551745,0.0974239212,0.0974239212,GGA+U,Imm2,ABC4D_oI14_44_b_a_2a2b_a:Fe-Li-O-Ti,7.0,ABC4D_oI14_44_b_a_2a2b_a:Fe-Li-O-Ti +mp-770739,LiTiFeO4,-8.0325626968,-2.5952497056,0.0465293902,0.0465293902,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_13c_c:Fe-Li-O-Ti, expected LiTiFeO13 to be LiTiFeO4" +mp-1222485,LiTiFeO4,-8.0171194354,-2.5798064442,0.0619726516,0.0619726516,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:Fe-Li-O-Ti,28.0,ABC4D_oP28_62_c_c_4c_c:Fe-Li-O-Ti +mp-755965,LiTiFeO4,-8.0555785821,-2.618265591,0.0235135048,0.0235135048,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Ti,28.0,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Ti +mp-752855,LiTiFeO4,-7.9814407054,-2.5441277142,0.0976513816,0.0976513816,GGA+U,Imma,ABC4D_oI28_74_a_b_hi_c:Fe-Li-O-Ti,28.0,ABC4D_oI28_74_a_b_hi_c:Fe-Li-O-Ti +mp-773989,LiTiFeO4,-8.0446984529,-2.6073854617,0.0343936341,0.0343936341,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Fe-Li-O-Ti, expected LiTiFeO6 to be LiTiFeO4" +mp-1235299,LiTiFe5O8,-7.973843902,-1.8586418604,0.1698674715,0.1698674715,GGA+U,P1,A5BC8D_aP15_1_5a_a_8a_a:Fe-Li-O-Ti,15.0,A5BC8D_mC30_8_3ab_a_4a2b_a:Fe-Li-O-Ti +mp-1235025,LiTiFe5O8,-8.0102302507,-1.8950282091,0.1334811228,0.1334811228,GGA+U,P-1,A5BC8D_aP15_2_abei_d_4i_c:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A5BC8D_aP15_2_abei_d_8i_c:Fe-Li-O-Ti, expected LiTiFe5O16 to be LiTiFe5O8" +mp-1235710,LiTiFe5O8,-7.968740628,-1.8535385864,0.1749707455,0.1749707455,GGA+U,Cm,A5BC8D_mC30_8_3ab_a_4a2b_a:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A5BC8D_mC30_8_3a2b_a_4a4b_a:Fe-Li-O-Ti, expected LiTiFe7O12 to be LiTiFe5O8" +mp-1236188,LiTiFe5O8,-7.9594741927,-1.8442721511,0.1842371808,0.1842371808,GGA+U,C2/m,A5BC8D_mC30_12_aei_b_2ij_c:Fe-Li-O-Ti,15.0,"Invalid WP multiplicities - A5BC8D_aP15_2_acei_d_8i_b:Fe-Li-O-Ti, expected LiTiFe5O16 to be LiTiFe5O8" +mp-1236132,LiTiFe5O8,-7.832268306,-1.7170662644,0.3114430675,0.3114430675,GGA+U,R3m,A5BC8D_hR45_160_2ab_a_2a2b_a:Fe-Li-O-Ti,15.0,A5BC8D_hR45_160_2ab_a_2a2b_a:Fe-Li-O-Ti +mp-753029,Ti3Fe3(SbO8)2,-7.9727012467,-2.2851361825,0.1238225302,0.1238225302,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Fe-O-Sb-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Fe-O-Sb-Ti, expected Ti3Fe3(SbO10)2 to be Ti3Fe3(SbO8)2" +mp-758964,Li2Ti(FeO3)2,-7.6271101839,-2.3240635987,0.0791015783,0.0791015783,GGA+U,C2/m,A2B2C6D_mC66_12_ij_hj_3i3j_ag:Fe-Li-O-Ti,33.0,"Invalid WP multiplicities - A2B2C6D_mC66_12_2i2j_hj_6i8j_a2g:Fe-Li-O-Ti, expected Li6Ti5(Fe3O11)4 to be Li2Ti(FeO3)2" +mp-774337,Li3Ti2FeO6,-7.67647112,-2.7041456108,0.1016465038,0.1016465038,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Fe-Li-O-Ti,12.0,"Invalid WP multiplicities - AB3C6D2_mC24_12_a_di_5i_i:Fe-Li-O-Ti, expected Li3Ti2FeO10 to be Li3Ti2FeO6" +mp-1177243,Li4TiFe3O8,-7.2667531587,-2.2345808585,0.0419464869,0.0419464869,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Ti,16.0,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Ti +mp-769962,Li4TiFe3O8,-7.2788225637,-2.2466502635,0.0298770819,0.0298770819,GGA+U,C2/m,A3B4C8D_mC32_12_ae_cdf_2ij_b:Fe-Li-O-Ti,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_ae_cdf_4i3j_b:Fe-Li-O-Ti, expected Li4TiFe3O20 to be Li4TiFe3O8" +mp-772995,Li7Ti12Fe5O32,-8.4436107348,-2.9301730727,0.0368199933,0.0368199933,GGA+U,R3,A5B7C32D12_hR168_146_2ab_a2b_2a10b_4b:Fe-Li-O-Ti,56.0,"Invalid WP multiplicities - A5B7C32D12_hR168_146_2a2b_a4b_2a28b_10b:Fe-Li-O-Ti, expected Li13Ti30(Fe4O43)2 to be Li7Ti12Fe5O32" +mp-759041,Li4Ti2Fe3O10,-7.6202327992,-2.4463577338,0.0437778453,0.0437778453,GGA+U,P-1,A3B4C10D2_aP38_2_ae2i_4i_10i_2i:Fe-Li-O-Ti,38.0,"Invalid WP multiplicities - A3B4C10D2_aP38_2_ae2i_6i_18i_2i:Fe-Li-O-Ti, expected Li6Ti2(FeO6)3 to be Li4Ti2Fe3O10" +mp-753064,Li2Ti2FeO6,-8.023750995,-2.7729343364,0.0950587677,0.0950587677,GGA+U,Cmce,AB2C6D2_oC44_64_a_e_fg_d:Fe-Li-O-Ti,22.0,"Invalid WP multiplicities - AB2C6D2_oC44_64_a_e_2f3g_d:Fe-Li-O-Ti, expected Li2Ti2FeO16 to be Li2Ti2FeO6" +mp-769637,Li5Ti6FeO16,-8.2310149455,-3.0690646947,0.0,-0.0053289553,GGA+U,P2_1,AB5C16D6_mP56_4_a_5a_16a_6a:Fe-Li-O-Ti,56.0,"Invalid WP multiplicities - AB5C16D6_mP56_4_a_8a_30a_10a:Fe-Li-O-Ti, expected Li8Ti10FeO30 to be Li5Ti6FeO16" +mp-774656,Li5Ti6FeO16,-8.1971337086,-3.0351834577,0.033881237,0.0285522817,GGA+U,Pm,AB5C16D6_mP28_6_a_2a3b_4a4b4c_ab2c:Fe-Li-O-Ti,28.0,AB5C16D6_mP28_6_a_2a3b_4a4b4c_ab2c:Fe-Li-O-Ti +mp-753225,LiTiFe2O5,-8.0313365411,-2.3115697789,0.0811754181,0.0811754181,GGA+U,P1,A2BC5D_aP18_1_4a_2a_10a_2a:Fe-Li-O-Ti,18.0,A2BC5D_aP18_1_4a_2a_10a_2a:Fe-Li-O-Ti +mp-771498,Li4Ti3Fe5O16,-7.8181910443,-2.3603591533,0.057549157,0.057549157,GGA+U,P1,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-Ti,28.0,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-Ti +mp-771001,Li4Ti3Fe5O16,-7.76526825,-2.307436359,0.1104719513,0.1104719513,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Fe-Li-O-Ti, expected Li4Ti3(FeO4)5 to be Li4Ti3Fe5O16" +mp-769463,Li11Ti8Fe5O32,-7.6603449236,-2.5745193436,0.0365757944,0.0365757944,GGA+U,P1,A5B11C32D8_aP56_1_5a_11a_32a_8a:Fe-Li-O-Ti,56.0,A5B11C32D8_aP56_1_5a_11a_32a_8a:Fe-Li-O-Ti +mp-777591,Li4Ti5Fe3O16,-8.2063393571,-2.7895452657,0.0348448014,0.0348448014,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Fe-Li-O-Ti, expected Li4Ti7Fe3O20 to be Li4Ti5Fe3O16" +mp-755645,Li4TiFe5O12,-7.3195698109,-1.9904082623,0.1137635537,0.1137635537,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Fe-Li-O-Ti,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Fe-Li-O-Ti, expected Li4Ti(FeO4)7 to be Li4TiFe5O12" +mp-1662795,Li4Ti2Fe3Sb3O16,-7.2635767946,-2.2503352864,0.0558899327,0.0558899327,GGA+U,P1,A3B4C16D3E2_aP56_1_6a_8a_32a_6a_4a:Fe-Li-O-Sb-Ti,56.0,A3B4C16D3E2_aP56_1_6a_8a_32a_6a_4a:Fe-Li-O-Sb-Ti +mp-756731,Li4Ti2Fe3Sb3O16,-7.253441545,-2.2402000368,0.0660251823,0.0660251823,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-Sb-Ti,56.0,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-Sb-Ti +mp-865132,Li4Ti3Fe3(SbO8)2,-7.5804552136,-2.4326961776,0.0481379648,0.0481379648,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-Ti,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-Ti +mp-863112,Li4Ti3Fe3(SbO8)2,-7.5670861129,-2.4193270769,0.0615070655,0.0615070655,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sb-Ti,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-Ti +mp-769653,Li2TiFe2O5,-7.671981603,-2.3332992304,0.0491173135,0.0491173135,GGA+U,P1,A2B2C5D_aP20_1_4a_4a_10a_2a:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Fe-Li-O-Ti, expected Li2Ti(FeO5)2 to be Li2TiFe2O5" +mp-756002,Li2TiFe2O5,-7.683573867,-2.3448914944,0.0375250495,0.0375250495,GGA+U,P1,A2B2C5D_aP20_1_4a_4a_10a_2a:Fe-Li-O-Ti,20.0,A2B2C5D_aP20_1_4a_4a_10a_2a:Fe-Li-O-Ti +mp-769662,Li2TiFe2O5,-7.6607143645,-2.3220319919,0.060384552,0.060384552,GGA+U,P-1,A2B2C5D_aP20_2_afi_2i_bd4i_i:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_aP20_2_afi_2i_bd7i_i:Fe-Li-O-Ti, expected Li2Ti(FeO4)2 to be Li2TiFe2O5" +mp-754099,Li2TiFe2O5,-7.6483904,-2.3097080274,0.0727085165,0.0727085165,GGA+U,P-1,A2B2C5D_aP20_2_2i_aci_de4i_i:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_aP20_2_4i_ac2i_de8i_i:Fe-Li-O-Ti, expected Li3TiFe4O9 to be Li2TiFe2O5" +mp-756682,Li2TiFe2O5,-7.6616548085,-2.3229724359,0.059444108,0.059444108,GGA+U,C2,A2B2C5D_mC40_5_2a2b_2a2b_5c_ab:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_5_2a2b_2a2b_10c_ab:Fe-Li-O-Ti, expected Li2Ti(FeO5)2 to be Li2TiFe2O5" +mp-1641121,Li2TiFe2O5,-7.6698242155,-2.3311418429,0.051274701,0.051274701,GGA+U,Cc,A2B2C5D_mC40_9_2a_2a_5a_a:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_15_4e_4e_2a6f_e:Fe-Li-O-Ti, expected Li4Ti(Fe2O7)2 to be Li2TiFe2O5" +mp-754166,Li2TiFe2O5,-7.638290676,-2.2996083034,0.0828082405,0.0828082405,GGA+U,C2/m,A2B2C5D_mC40_12_adi_2i_bc4i_i:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_12_aci_2i_bd7i_i:Fe-Li-O-Ti, expected Li2Ti(FeO4)2 to be Li2TiFe2O5" +mp-756567,Li2TiFe2O5,-7.670361893,-2.3316795204,0.0507370235,0.0507370235,GGA+U,C2/c,A2B2C5D_mC40_15_2e_2e_c2f_e:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A2B2C5D_mC40_15_4e_2e_a2f_e:Fe-Li-O-Ti, expected Li2TiFe4O5 to be Li2TiFe2O5" +mp-775306,Li2Ti3FeO8,-8.3974643045,-3.0011891128,0.0036893323,0.0036893323,GGA+U,R32,AB2C8D3_hR168_155_ae_cf_c5f_def:Fe-Li-O-Ti,56.0,"Invalid WP multiplicities - AB2C8D3_hR168_155_ae_c2f_2c26f_3d3e4f:Fe-Li-O-Ti, expected Li7Ti21(FeO40)2 to be Li2Ti3FeO8" +mp-755521,Li2Ti3FeO8,-8.3716835343,-2.9754083426,0.0294701025,0.0294701025,GGA+U,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Fe-Li-O-Ti,14.0,AB2C8D3_hR42_160_a_2a_2a2b_b:Fe-Li-O-Ti +mp-775874,Li2Ti3FeO8,-8.37125951,-2.9749843183,0.0298941268,0.0298941268,GGA+U,P6_3mc,AB2C8D3_hP28_186_b_ab_ab2c_c:Fe-Li-O-Ti,56.0,AB2C8D3_hP28_186_b_ab_ab2c_c:Fe-Li-O-Ti +mp-1177863,Li2Ti3FeO8,-8.3422689205,-2.9459937289,0.0588847162,0.0588847162,GGA+U,P2_13,AB2C8D3_cP56_198_a_2a_2a2b_b:Fe-Li-O-Ti,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_198_a_5a_8a13b_b:Fe-Li-O-Ti, expected Li5Ti3FeO47 to be Li2Ti3FeO8" +mp-775316,Li2TiFe3O8,-7.6258048666,-2.1474540759,0.0465834491,0.0465834491,GGA+U,P1,A3B2C8D_aP56_1_12a_8a_32a_4a:Fe-Li-O-Ti,56.0,A3B2C8D_aP56_1_12a_8a_32a_4a:Fe-Li-O-Ti +mp-1290754,Li2TiFe3O8,-7.6264314686,-2.1480806779,0.0459568471,0.0459568471,GGA+U,P1,A3B2C8D_aP14_1_3a_2a_8a_a:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP14_1_6a_2a_8a_a:Fe-Li-O-Ti, expected Li2Ti(Fe3O4)2 to be Li2TiFe3O8" +mp-1277589,Li2TiFe3O8,-7.6311157946,-2.1527650039,0.0412725211,0.0412725211,GGA+U,P-1,A3B2C8D_aP28_2_abcefh_2i_8i_i:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP28_2_abcefh_3i_14i_i:Fe-Li-O-Ti, expected Li3TiFe3O14 to be Li2TiFe3O8" +mp-1303907,Li2TiFe3O8,-7.6284622636,-2.1501114729,0.0439260521,0.0439260521,GGA+U,P-1,A3B2C8D_aP28_2_acfhi_2i_8i_be:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP28_2_abce2i_4i_16i_dh:Fe-Li-O-Ti, expected Li4Ti(FeO4)4 to be Li2TiFe3O8" +mp-1306027,Li2TiFe3O8,-7.6104179118,-2.1320671211,0.0619704039,0.0619704039,GGA+U,P-1,A3B2C8D_aP28_2_acfhi_2i_8i_i:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_aP28_2_a2cfi_3i_14i_i:Fe-Li-O-Ti, expected Li3TiFe3O14 to be Li2TiFe3O8" +mp-776147,Li2TiFe3O8,-7.6137091566,-2.1353583659,0.0586791591,0.0586791591,GGA+U,P2_1,A3B2C8D_mP56_4_6a_4a_16a_2a:Fe-Li-O-Ti,56.0,"Invalid WP multiplicities - A3B2C8D_tP56_96_3a2b_b_29b_a:Fe-Li-O-Ti, expected Li2TiFe7O58 to be Li2TiFe3O8" +mp-771820,Li2TiFe3O8,-7.6173272089,-2.1389764182,0.0550611068,0.0550611068,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Fe-Li-O-Ti, expected Li3Ti(FeO10)3 to be Li2TiFe3O8" +mp-850231,Li2TiFe3O8,-7.6260141993,-2.1476634086,0.0463741164,0.0463741164,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Ti,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Fe-Li-O-Ti, expected Li2TiFe3O10 to be Li2TiFe3O8" +mp-774498,Li3Ti(FeO3)2,-7.3427449492,-2.3225420072,0.0643034885,0.0643034885,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Fe-Li-O-Ti,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Fe-Li-O-Ti, expected Li3Ti(FeO5)2 to be Li3Ti(FeO3)2" +mp-771347,Li11Ti4Fe9O32,-7.2204800084,-2.0936166289,0.0630672842,0.0630672842,GGA+U,P1,A9B11C32D4_aP56_1_9a_11a_32a_4a:Fe-Li-O-Ti,56.0,A9B11C32D4_aP56_1_9a_11a_32a_4a:Fe-Li-O-Ti +mp-762700,Li2Ti2Fe3O10,-7.9030691565,-2.3450820677,0.0823659172,0.0823659172,GGA+U,P-1,A3B2C10D2_aP17_2_ai_i_5i_i:Fe-Li-O-Ti,17.0,"Invalid WP multiplicities - A3B2C10D2_aP17_2_ai_i_9i_i:Fe-Li-O-Ti, expected Li2Ti2(FeO6)3 to be Li2Ti2Fe3O10" +mp-1177123,Li5Ti2Fe3O10,-7.4654051125,-2.454777657,0.0203223589,0.0203223589,GGA+U,P1,A3B5C10D2_aP20_1_3a_5a_10a_2a:Fe-Li-O-Ti,20.0,A3B5C10D2_aP20_1_3a_5a_10a_2a:Fe-Li-O-Ti +mp-765709,Li5Ti2Fe3O10,-7.459951311,-2.4493238555,0.0257761604,0.0257761604,GGA+U,P-1,A3B5C10D2_aP20_2_bi_e2i_5i_i:Fe-Li-O-Ti,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_e4i_9i_i:Fe-Li-O-Ti, expected Li9Ti2(FeO6)3 to be Li5Ti2Fe3O10" +mp-1216868,TiFeSbO6,-7.9375783239,-2.3626175756,0.0283776206,0.0283776206,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Fe-O-Sb-Ti,18.0,"Invalid WP multiplicities - AB6CD_tP18_102_a_12c_a_a:Fe-O-Sb-Ti, expected TiFeSbO24 to be TiFeSbO6" +mp-758622,Li3TiFe3O8,-7.4290789367,-2.1886900076,0.0924505608,0.0924505608,GGA+U,P1,A3B3C8D_aP30_1_6a_6a_16a_2a:Fe-Li-O-Ti,30.0,A3B3C8D_aP30_1_6a_6a_16a_2a:Fe-Li-O-Ti +mp-755163,Li3TiFe3O8,-7.46671547,-2.2263265409,0.0548140275,0.0548140275,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Fe-Li-O-Ti,30.0,A3B3C8D_hR45_166_e_d_ch_a:Fe-Li-O-Ti +mp-760345,Li3TiFe3O8,-7.466282984,-2.2258940549,0.0552465135,0.0552465135,GGA+U,P6_3mc,A3B3C8D_hP30_186_c_c_ab2c_b:Fe-Li-O-Ti,30.0,"Invalid WP multiplicities - A3B3C8D_hP30_186_c_c_2a2b9c_b:Fe-Li-O-Ti, expected Li3TiFe3O31 to be Li3TiFe3O8" +mp-769659,Li2TiFeO4,-7.5253285137,-2.5290642881,0.0784175081,0.0784175081,GGA+U,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti +mp-1273123,Li2TiFeO4,-7.5651934778,-2.5689292522,0.0385525441,0.0385525441,GGA+U,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti +mp-1278188,Li2TiFeO4,-7.5615060909,-2.5652418653,0.0422399309,0.0422399309,GGA+U,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti +mp-1285010,Li2TiFeO4,-7.5670423469,-2.5707781213,0.036703675,0.036703675,GGA+U,P1,AB2C4D_aP8_1_a_2a_4a_a:Fe-Li-O-Ti,16.0,AB2C4D_aP8_1_a_2a_4a_a:Fe-Li-O-Ti +mp-1301347,Li2TiFeO4,-7.5628693984,-2.5666051728,0.0408766234,0.0408766234,GGA+U,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Fe-Li-O-Ti +mp-1277038,Li2TiFeO4,-7.5627358919,-2.5664716662,0.04101013,0.04101013,GGA+U,C2,AB2C4D_mC64_5_2c_ab3c_8c_abc:Fe-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_5_3c_ab5c_16c_abc:Fe-Li-O-Ti, expected Li6Ti2Fe3O16 to be Li2TiFeO4" +mp-1304342,Li2TiFeO4,-7.557158946599999,-2.5608947209,0.0465870753,0.0465870753,GGA+U,C2,AB2C4D_mC64_5_2c_4c_8c_2c:Fe-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_5_2c_6c_14c_4c:Fe-Li-O-Ti, expected Li3Ti2FeO7 to be Li2TiFeO4" +mp-769658,Li2TiFeO4,-7.5605509962,-2.5642867706,0.0431950256,0.0431950256,GGA+U,Cc,AB2C4D_mC32_9_a_2a_4a_a:Fe-Li-O-Ti,32.0,AB2C4D_mC32_9_a_2a_4a_a:Fe-Li-O-Ti +mp-1306478,Li2TiFeO4,-7.5671418338,-2.5708776081,0.0366041881,0.0366041881,GGA+U,Cc,AB2C4D_mC32_9_2a_4a_8a_2a:Fe-Li-O-Ti,32.0,AB2C4D_mC32_9_a_2a_4a_a:Fe-Li-O-Ti +mp-754391,Li2TiFeO4,-7.5578251653,-2.5615609397,0.0459208566,0.0459208566,GGA+U,P2/m,AB2C4D_mP8_10_b_dh_mn_c:Fe-Li-O-Ti,32.0,AB2C4D_mP8_10_b_eg_mn_c:Fe-Li-O-Ti +mp-1285981,Li2TiFeO4,-7.5645415072,-2.5682772816,0.0392045147,0.0392045147,GGA+U,C2/m,AB2C4D_mC64_12_j_abehi_4i2j_2i:Fe-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_12_j_abfhi_8i3j_4i:Fe-Li-O-Ti, expected Li2Ti2FeO7 to be Li2TiFeO4" +mp-1274264,Li2TiFeO4,-7.5641095144,-2.5678452888,0.0396365075,0.0396365075,GGA+U,C2/m,AB2C4D_mC32_12_e_abh_2ij_i:Fe-Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C4D_mC32_12_e_abh_4ij_i:Fe-Li-O-Ti, expected Li2TiFeO6 to be Li2TiFeO4" +mp-1290397,Li2TiFeO4,-7.5590910791,-2.5628268534,0.0446549428,0.0446549428,GGA+U,C2/c,AB2C4D_mC64_15_ce_abde_4f_f:Fe-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_mC64_15_2a2e_b2cde_9f_f:Fe-Li-O-Ti, expected Li5Ti2(Fe2O9)2 to be Li2TiFeO4" +mp-765697,Li2TiFeO4,-7.5560852956,-2.55982107,0.0476607263,0.0476607263,GGA+U,Imm2,AB2C4D_oI32_44_c_cd_2c2d_d:Fe-Li-O-Ti,32.0,AB2C4D_mC32_8_b_2ab_4a2b_2a:Fe-Li-O-Ti +mp-756484,Li2TiFeO4,-7.4985148794,-2.5022506538,0.1052311425,0.1052311425,GGA+U,Imm2,AB2C4D_oI32_44_2a_2a2b_4a4b_2b:Fe-Li-O-Ti,16.0,AB2C4D_oI32_44_2a_2a2b_4a4b_2b:Fe-Li-O-Ti +mp-1290528,Li2TiFeO4,-7.5651258397,-2.5688616141,0.0386201822,0.0386201822,GGA+U,Pnma,AB2C4D_oP32_62_a_bc_2cd_c:Fe-Li-O-Ti,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_a_bc_7cd_c:Fe-Li-O-Ti, expected Li2TiFeO9 to be Li2TiFeO4" +mp-1177839,Li2TiFeO4,-7.5497777941,-2.5535135684,0.0539682278,0.0539682278,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Fe-Li-O-Ti,32.0,AB2C4D_tI16_119_a_bc_ef_d:Fe-Li-O-Ti +mp-754096,Li2TiFeO4,-7.5249907275,-2.5287265019,0.0787552944,0.0787552944,GGA+U,P4_2/mmc,AB2C4D_tP16_131_e_cf_abi_d:Fe-Li-O-Ti,16.0,AB2C4D_tP16_131_e_cf_abi_d:Fe-Li-O-Ti +mp-1177837,Li2TiFeO4,-7.5258715181,-2.5296072925,0.0778745038,0.0778745038,GGA+U,I4/mmm,AB2C4D_tI16_139_a_d_ce_b:Fe-Li-O-Ti,32.0,AB2C4D_tI16_139_a_d_ce_b:Fe-Li-O-Ti +mp-861187,Li6TiFe5O12,-7.15787748,-2.1137358216,0.0524733735,0.0524733735,GGA+U,C2,A5B6C12D_mC48_5_2a3b_3c_6c_a:Fe-Li-O-Ti,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_5_2a3b_5c_12c_a:Fe-Li-O-Ti, expected Li10TiFe5O24 to be Li6TiFe5O12" +mp-867832,Li6TiFe5O12,-7.1025504233,-2.0584087649,0.1078004302,0.1078004302,GGA+U,C2/m,A5B6C12D_mC48_12_agh_ij_2i2j_d:Fe-Li-O-Ti,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_12_agh_i2j_4i3j_c:Fe-Li-O-Ti, expected Li10Ti(FeO4)5 to be Li6TiFe5O12" +mp-753168,Li4Ti3(FeO4)3,-7.8235620323,-2.5466304104,0.0889487302,0.0889487302,GGA+U,P-1,A3B4C12D3_aP22_2_ai_cei_6i_di:Fe-Li-O-Ti,22.0,"Invalid WP multiplicities - A3B4C12D3_aP22_2_a2i_ce2i_12i_d2i:Fe-Li-O-Ti, expected Li6Ti5Fe5O24 to be Li4Ti3(FeO4)3" +mp-1520321,BaCeInSbO6,-6.9542552547,-2.5129671215,0.2857512829,0.2857512829,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ce-In-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ce-In-O-Sb, expected BaCeIn2SbO12 to be BaCeInSbO6" +mp-1520190,BaCeInSbO6,-7.062592303,-2.6213041697,0.1774142346,0.1774142346,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-In-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-In-O-Sb +mp-1521941,NaSrHfNbO6,-8.577364984999999,-3.3023004766,0.0276987915,0.0276987915,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Hf-Na-Nb-O-Sr +mp-680135,Cu3Bi7(PbS5)3,-4.6432478618,-0.6301859642000001,0.0066527925,0.0066527925,GGA,Pnma,A7B3C3D15_oP112_62_7c_3c_3c_15c:Bi-Cu-Pb-S,112.0,"Invalid WP multiplicities - A7B3C3D15_oP112_62_27c_8c_8c_55c:Bi-Cu-Pb-S, expected Cu8Bi27Pb8S55 to be Cu3Bi7(PbS5)3" +mp-651706,Cu6AgBi12PbS22,-4.5631570739,-0.5577235091,0.0250659837,0.0250659837,GGA,P2_1/m,AB12C6DE22_mP84_11_e_12e_6e_e_22e:Ag-Bi-Cu-Pb-S,84.0,"Invalid WP multiplicities - AB12C6DE22_mP84_11_e_23e_10e_e_42e:Ag-Bi-Cu-Pb-S, expected Cu10AgBi23PbS42 to be Cu6AgBi12PbS22" +mp-672295,Cu4Bi5PbS11,-4.59533464,-0.5566266431,0.0270059435,0.0270059435,GGA,C2/m,A5B4CD11_mC84_12_5i_4i_ad_11i:Bi-Cu-Pb-S,42.0,"Invalid WP multiplicities - A5B4CD11_mC84_12_10i_6i_ac_22i:Bi-Cu-Pb-S, expected Cu6Bi10PbS22 to be Cu4Bi5PbS11" +mp-652196,Cu2Bi4Pb2S9,-4.639556131,-0.6269847897,0.0072123296,0.0072123296,GGA,Pnma,A4B2C2D9_oP68_62_4c_2c_2c_9c:Bi-Cu-Pb-S,68.0,"Invalid WP multiplicities - A4B2C2D9_oP68_62_11c_6c_6c_32c:Bi-Cu-Pb-S, expected Cu6Bi11(Pb3S16)2 to be Cu2Bi4Pb2S9" +mp-1196623,Cu3Ag2Bi7Pb3S16,-4.5447967015,-0.6039162174,0.0,-0.0021824038,GGA,P2_1/m,A2B7C3D3E16_mP62_11_2e_7e_3e_3e_16e:Ag-Bi-Cu-Pb-S,62.0,A2B7C3D3E16_mP62_11_2e_7e_3e_3e_16e:Ag-Bi-Cu-Pb-S +mp-624191,CuBiPbS3,-4.6220485888,-0.6117665103000001,0.0093812304,0.0093812304,GGA,Pnma,ABCD3_oP24_62_c_c_c_3c:Bi-Cu-Pb-S,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_7c:Bi-Cu-Pb-S, expected CuBiPbS7 to be CuBiPbS3" +mp-1229202,AgBi3PbS6,-4.5124539555,-0.6137839859,0.0201762245,0.0201762245,GGA,Cmc2_1,AB3CD6_oC44_36_a_3a_a_6a:Ag-Bi-Pb-S,22.0,"Invalid WP multiplicities - AB3CD6_oC44_36_a_4a_a_8a:Ag-Bi-Pb-S, expected AgBi4PbS8 to be AgBi3PbS6" +mp-1225935,Cu2AgBiPbS4,-4.3985767703,-0.4952539913,0.0177860777,0.0177860777,GGA,Pnma,ABC2DE4_oP36_62_c_c_2c_c_4c:Ag-Bi-Cu-Pb-S,36.0,ABC2DE4_oP36_62_c_c_2c_c_4c:Ag-Bi-Cu-Pb-S +mp-642316,CuBi5PbS9,-4.6595150908,-0.6443683288000001,0.0036973867,0.0036973867,GGA,Pnma,A5BCD9_oP64_62_5c_c_c_9c:Bi-Cu-Pb-S,64.0,"Invalid WP multiplicities - A5BCD9_oP64_62_19c_c_c_34c:Bi-Cu-Pb-S, expected CuBi19PbS34 to be CuBi5PbS9" +mp-680461,Cu2Bi8Pb2S15,-4.6551832533,-0.6405770117,0.0045780107,0.0045780107,GGA,Pnma,A8B2C2D15_oP108_62_8c_2c_2c_15c:Bi-Cu-Pb-S,108.0,"Invalid WP multiplicities - A8B2C2D15_oP108_62_29c_7c_5c_55c:Bi-Cu-Pb-S, expected Cu7Bi29(PbS11)5 to be Cu2Bi8Pb2S15" +mp-1227889,Cu2Bi5Pb5S14,-4.6301691129,-0.6350001715,0.0401167953,0.0401167953,GGA,Pmc2_1,A5B2C5D14_oP52_26_2a3b_ab_3a2b_7a7b:Bi-Cu-Pb-S,52.0,A5B2C5D14_oP52_26_2a3b_ab_3a2b_7a7b:Bi-Cu-Pb-S +mp-542302,CuBi3PbS6,-4.6497305368,-0.6359105067,0.0050107805,0.0050107805,GGA,Pmc2_1,A3BCD6_oP22_26_a2b_a_a_3a3b:Bi-Cu-Pb-S,22.0,A3BCD6_oP22_26_a2b_a_a_3a3b:Bi-Cu-Pb-S +mp-1225857,CuBi3PbS6,-4.6232335936,-0.6094135635,0.0315077236,0.0315077236,GGA,Pmc2_1,A3BCD6_oP22_26_2ab_a_b_3a3b:Bi-Cu-Pb-S,22.0,A3BCD6_oP22_26_2ab_a_b_3a3b:Bi-Cu-Pb-S +mp-1225886,CuBi3PbS6,-4.6333625823,-0.6195425522,0.021378735,0.021378735,GGA,Pmn2_1,A3BCD6_oP22_31_3a_a_a_6a:Bi-Cu-Pb-S,22.0,"Invalid WP multiplicities - A3BCD6_oP22_31_4a_a_a_9a:Bi-Cu-Pb-S, expected CuBi4PbS9 to be CuBi3PbS6" +mp-669445,Cu2Bi8Pb6S19,-4.6698647874,-0.6758431797000001,0.0016625666,0.0016625666,GGA,P-1,A8B2C6D19_aP35_2_4i_i_3i_a9i:Bi-Cu-Pb-S,35.0,"Invalid WP multiplicities - A8B2C6D19_mC70_12_7i_i_4i_a17i:Bi-Cu-Pb-S, expected Cu2Bi14Pb8S35 to be Cu2Bi8Pb6S19" +mp-1204427,Cu2Bi8Pb6S19,-4.6635539289,-0.6695323211,0.0079734251,0.0079734251,GGA,C2/m,A8B2C6D19_mC70_12_4i_i_3i_a9i:Bi-Cu-Pb-S,35.0,A8B2C6D19_mC70_12_4i_i_3i_a9i:Bi-Cu-Pb-S +mp-1229121,AgBiPbS3,-4.361041275,-0.5618676410000001,0.0378132269,0.0378132269,GGA,Imm2,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Pb-S,6.0,ABCD3_oI12_44_a_a_a_3b:Ag-Bi-Pb-S +mp-1228525,Ba2CuAg3(SnS4)2,-4.61044302,-1.0138450697,0.0094013714,0.0094013714,GGA,P1,A3B2CD8E2_aP16_1_3a_2a_a_8a_2a:Ag-Ba-Cu-S-Sn,16.0,A3B2CD8E2_aP16_1_3a_2a_a_8a_2a:Ag-Ba-Cu-S-Sn +mp-555166,BaAg2SnS4,-4.5306318113,-1.0131995276,0.0,-0.0459703556,GGA,I222,A2BC4D_oI16_23_f_a_k_b:Ag-Ba-S-Sn,8.0,A2BC4D_oI16_23_f_a_k_b:Ag-Ba-S-Sn +mp-17954,BaCu2SnS4,-4.8874821317,-1.0533871814,0.0,-0.0313652224,GGA,P3_121,AB2C4D_hP24_152_a_c_2c_b:Ba-Cu-S-Sn,24.0,AB2C4D_hP24_152_a_c_2c_b:Ba-Cu-S-Sn +mp-2218002,Sr2MgFeOsO6,-6.9941823118,-2.0526561423,0.3940666517,0.3940666517,GGA+U,Immm,ABC6DE2_oI22_71_a_c_el_b_f:Fe-Mg-O-Os-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_mC22_12_b_c_2g4i_a_h:Fe-Mg-O-Os-Sr, expected Sr2MgFeOsO12 to be Sr2MgFeOsO6" +mp-2241076,Sr2MgFeOsO6,-7.0286144909,-2.0870883214,0.3596344726,0.3596344726,GGA+U,R3m,ABC6DE2_hR33_160_a_a_2b_a_2a:Fe-Mg-O-Os-Sr,11.0,"Invalid WP multiplicities - ABC6DE2_hR33_160_a_a_6b_a_2a:Fe-Mg-O-Os-Sr, expected Sr2MgFeOsO18 to be Sr2MgFeOsO6" +mp-1276755,Sr2FeOsO6,-7.602338882,-2.3266881006,0.0067743905,-0.0375484197,GGA+U,R-3m,AB6CD2_hR60_166_c_2h_ab_2c:Fe-O-Os-Sr,20.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Os-Sr +mp-1095170,Sr2FeOsO6,-7.6091132725,-2.3334624911,0.0,-0.0443228102,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Fe-O-Os-Sr,20.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Os-Sr +mp-1078180,Sr2MgOsO6,-7.224491138,-2.6358144726,0.0,-0.063928799,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Mg-O-Os-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Mg-O-Os-Sr +mp-694926,CaLa9Ti5Cr5O30,-9.0507267016,-3.3992662497,0.0634652645,0.0634652645,GGA+U,P1,AB5C9D30E5_aP50_1_a_5a_9a_30a_5a:Ca-Cr-La-O-Ti,50.0,AB5C9D30E5_aP50_1_a_5a_9a_30a_5a:Ca-Cr-La-O-Ti +mp-39159,CaLaTiCrO6,-8.7945167233,-3.3774888493,0.0,-0.0003702222,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-Ti,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-Ti +mp-744126,Ca3La7Ti5Cr5O30,-8.9151975823,-3.3809534194,0.0420604116,0.0420604116,GGA+U,Pm,A3B5C7D30E5_mP100_6_ab2c_5c_ab6c_2a2b28c_5c:Ca-Cr-La-O-Ti,100.0,"Invalid WP multiplicities - A3B5C7D30E5_mP100_6_ab3c_10c_ab7c_2a2b48c_8c:Ca-Cr-La-O-Ti, expected Ca2La4Ti4Cr5O25 to be Ca3La7Ti5Cr5O30" +mp-695500,Ca8La2Ti5Cr5O30,-8.4443331832,-3.2031297428,0.0173663751,0.0173663751,GGA+U,P-1,A8B5C2D30E5_aP100_2_8i_ab4i_2i_30i_eh4i:Ca-Cr-La-O-Ti,100.0,"Invalid WP multiplicities - A8B5C2D30E5_aP100_2_16i_ab7i_3i_60i_eh8i:Ca-Cr-La-O-Ti, expected Ca16La3Ti9Cr8O60 to be Ca8La2Ti5Cr5O30" +mp-743953,Ca2La8Ti5Cr5O30,-8.990993385,-3.3981410776,0.0456994781,0.0456994781,GGA+U,P-1,A2B5C8D30E5_aP50_2_i_b2i_4i_15i_c2i:Ca-Cr-La-O-Ti,50.0,"Invalid WP multiplicities - A2B5C8D30E5_aP50_2_i_b4i_6i_28i_c4i:Ca-Cr-La-O-Ti, expected Ca2La12Ti9Cr9O56 to be Ca2La8Ti5Cr5O30" +mp-695477,Ca6La4Ti5Cr5O30,-8.6634483951,-3.3050286657,0.0201292732,0.0201292732,GGA+U,Pm,A6B5C4D30E5_mP100_6_2a5c_5c_2b3c_2a2b28c_5c:Ca-Cr-La-O-Ti,100.0,"Invalid WP multiplicities - A6B5C4D30E5_mP100_6_2a6c_7c_2b4c_2a2b50c_10c:Ca-Cr-La-O-Ti, expected Ca7La5Ti10Cr7O52 to be Ca6La4Ti5Cr5O30" +mp-1227769,Ca3LaTi2Cr2O12,-8.5023950125,-3.2318874998,0.0147740733,0.0147740733,GGA+U,P1,A3B2CD12E2_aP20_1_3a_2a_a_12a_2a:Ca-Cr-La-O-Ti,40.0,"Invalid WP multiplicities - A3B2CD12E2_aP20_1_3a_4a_a_12a_2a:Ca-Cr-La-O-Ti, expected Ca3LaTi2Cr4O12 to be Ca3LaTi2Cr2O12" +mp-744008,Ca7La3Ti5Cr5O30,-8.5576046526,-3.2577930677,0.0150339607,0.0150339607,GGA+U,Pm,A7B5C3D30E5_mP100_6_2a2b5c_5c_3c_2a2b28c_5c:Ca-Cr-La-O-Ti,100.0,"Invalid WP multiplicities - A7B5C3D30E5_mP100_6_2a2b6c_8c_3c_2a2b48c_8c:Ca-Cr-La-O-Ti, expected Ca8La3Ti8Cr8O50 to be Ca7La3Ti5Cr5O30" +mp-1214263,Ca3Ti3Cr2O12,-8.6973574336,-3.2788756754,0.0,-0.019399989,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cr-O-Ti,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cr-O-Ti +mp-1375159,CaLa2Ti2Cr2O12,-8.7431850011,-3.1466082854,0.0978226747,0.0978226747,GGA+U,P1,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Cr-La-O-Ti,19.0,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Cr-La-O-Ti +mp-1076473,BaSr7MnFe7O20,-7.4006214804,-2.3691946165,0.0208848537,0.0208848537,GGA+U,P1,AB7CD20E7_aP144_1_4a_28a_4a_80a_28a:Ba-Fe-Mn-O-Sr,144.0,AB7CD20E7_aP144_1_4a_28a_4a_80a_28a:Ba-Fe-Mn-O-Sr +mp-1076408,BaSr7Mn2(FeO4)6,-7.3124997845,-2.2722468838,0.0189675862,0.0189675862,GGA+U,Amm2,AB6C2D24E7_oC80_38_a_cf_c_2a2bde4f_a2bde:Ba-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB6C2D24E7_oC80_38_a_2c2f_c_2a2bde16f_a2b2d2e:Ba-Fe-Mn-O-Sr, expected BaSr11Mn2(FeO6)12 to be BaSr7Mn2(FeO4)6" +mp-1076592,BaSr7MnFe7O24,-7.2664983242,-2.2435452756,0.0131315094,0.0131315094,GGA+U,R3m,AB7CD24E7_hR120_160_a_a2b_a_4b2c_a2b:Ba-Fe-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB7CD24E7_hR120_160_a_a4b_a_12b9c_a6b:Ba-Fe-Mn-O-Sr, expected BaSr19MnFe13O90 to be BaSr7MnFe7O24" +mp-1076181,BaSr7Mn2(Fe3O10)2,-7.4352370131,-2.3845880913,0.030824778,0.030824778,GGA+U,P1,AB6C2D20E7_aP144_1_4a_24a_8a_80a_28a:Ba-Fe-Mn-O-Sr,144.0,AB6C2D20E7_aP144_1_4a_24a_8a_80a_28a:Ba-Fe-Mn-O-Sr +mp-1250467,Ca2Cr2(SiO4)3,-8.1041919559,-2.8961123072,0.1079126581,0.1079126581,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_e_c_3g_ae:Ca-Cr-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_e_c_34g_3a4e:Ca-Cr-O-Si, expected Ca2Cr2Si11O136 to be Ca2Cr2(SiO4)3" +mp-1250522,CaCr2(SiO4)3,-7.9175291603,-2.5315339689,0.2548620867,0.2548620867,GGA+U,I4_1/acd,AB2C12D3_tI144_142_b_c_3g_ae:Ca-Cr-O-Si,72.0,"Invalid WP multiplicities - AB2C12D3_tI144_142_b_c_34g_3a4e:Ca-Cr-O-Si, expected CaCr2Si11O136 to be CaCr2(SiO4)3" +mp-1163927,Ca3Si3(BiO6)2,-7.4035072579,-2.9368074316,0.0653677204,0.0653677204,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Bi-Ca-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Bi-Ca-O-Si +mp-1264770,Ca3Si4(BiO7)2,-7.4873222476,-2.9372052051,0.1141641686,0.1141641686,GGA,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Bi-Ca-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Bi-Ca-O-Si, expected Ca3Si5BiO27 to be Ca3Si4(BiO7)2" +mp-1264130,Ca3Cr2(Si2O7)2,-8.2082178652,-3.1526609671,0.0493666474,0.0493666474,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Cr-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Cr-O-Si, expected Ca3CrSi5O27 to be Ca3Cr2(Si2O7)2" +mp-6414,Ca3Cr2(SiO4)3,-8.2400826035,-3.1921269432,0.0,-0.0136911708,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cr-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cr-O-Si +mp-1157256,CaCr(SiO3)2,-8.2865158227,-3.067574255,0.0409200006,0.0409200006,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Cr-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Cr-O-Si +mp-1041945,CaCr(SiO3)2,-8.2682114019,-3.0492698341,0.0592244215,0.0592244215,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Cr-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Cr-O-Si, expected CaCrSi8O41 to be CaCr(SiO3)2" +mp-19441,CaCr(Si2O5)2,-8.3402274114,-3.163552,0.0047689432,0.0047689432,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Cr-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Cr-O-Si, expected CaCr(Si2O11)2 to be CaCr(Si2O5)2" +mp-1329473,CaCr2(Si2O5)4,-8.3050087524,-3.0260405819,0.1288204066,0.1288204066,GGA+U,P-42_1c,AB2C20D8_tP62_114_a_d_5e_2e:Ca-Cr-O-Si,62.0,"Invalid WP multiplicities - AB2C20D8_tP62_114_a_d_18e_7e:Ca-Cr-O-Si, expected CaCr2(Si7O18)4 to be CaCr2(Si2O5)4" +mp-1206057,Sr2NbAlO6,-8.058527036,-3.3679270316,0.0,-0.0153938771,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Al-Nb-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Al-Nb-O-Sr +mp-558114,Sr4NbAlO8,-7.5962487648,-3.2977941667,0.0,-0.0038592532,GGA,P2_1/c,ABC8D4_mP56_14_e_e_8e_4e:Al-Nb-O-Sr,56.0,"Invalid WP multiplicities - ABC8D4_mP56_14_e_e_29e_16e:Al-Nb-O-Sr, expected Sr16NbAlO29 to be Sr4NbAlO8" +mp-677283,Sr4NdNb2Al3O15,-8.0979946844,-3.411363105,0.0176252318,0.0176252318,GGA,R-3m,A3B2CD15E4_hR150_166_ab2c_2c_c_5h_4c:Al-Nb-Nd-O-Sr,50.0,"Invalid WP multiplicities - A3B2CD15E4_hR150_166_ab4c_3c_c_22h_7c:Al-Nb-Nd-O-Sr, expected Sr7NdNb3Al5O66 to be Sr4NdNb2Al3O15" +mp-1275133,MnZn2SbO6,-6.364685113,-1.815621511,0.0852590855,0.0852590855,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Mn-O-Sb-Zn,40.0,AB6CD2_mP20_11_a_2e2f_c_2e:Mn-O-Sb-Zn +mp-557740,Mn13Si2SbO24,-8.5405736782,-2.220414549,0.0106575438,0.0106575438,GGA+U,P31m,A13B24CD2_hP120_157_5c4d_2a2b10c6d_c_abc:Mn-O-Sb-Si,120.0,"Invalid WP multiplicities - A13B24CD2_hP120_157_15c20d_2a4b30c30d_c_a2b2c:Mn-O-Sb-Si, expected Mn165Si11Sb3O280 to be Mn13Si2SbO24" +mp-1043523,MnZn(Si2O5)2,-7.9672098327,-2.8678399492,0.0735576673,0.0735576673,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Mn-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Mn-O-Si-Zn, expected MnZn(Si2O11)2 to be MnZn(Si2O5)2" +mp-1171226,MnZn(SiO3)2,-7.819205651,-2.723952928,0.021464005,0.021464005,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Mn-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Mn-O-Si-Zn +mp-1041863,MnZn(SiO3)2,-7.7987870273,-2.7035343043,0.0418826288,0.0418826288,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Mn-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Mn-O-Si-Zn, expected MnZnSi8O41 to be MnZn(SiO3)2" +mp-1154534,Zn3Si3(SbO6)2,-6.5315766846,-2.1479040879,0.3106498451,0.3106498451,GGA,Ia-3d,A12B2C3D3_cI160_230_h_a_d_c:O-Sb-Si-Zn,80.0,A12B2C3D3_cI160_230_h_a_d_c:O-Sb-Si-Zn +mp-1180274,MnZn2SiO6,-6.858949645,-2.180254364,0.0795470937,0.0795470937,GGA+U,P2_1/c,AB6CD2_mP40_14_e_6e_e_2e:Mn-O-Si-Zn,40.0,AB6CD2_mP40_14_e_6e_e_2e:Mn-O-Si-Zn +mp-1252337,MnZnSiO5,-7.3543136475,-2.2817485865,0.0848246746,0.0848246746,GGA+U,P-1,AB5CD_aP16_2_ab_5i_i_i:Mn-O-Si-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Mn-O-Si-Zn, expected MnZnSiO9 to be MnZnSiO5" +mp-1046626,MnZnSiO5,-7.3118589244,-2.2392938633,0.1272793977,0.1272793977,GGA+U,C2/c,AB5CD_mC32_15_a_e2f_e_e:Mn-O-Si-Zn,16.0,AB5CD_mC32_15_c_e2f_e_e:Mn-O-Si-Zn +mp-1258846,Mn2Zn3(Si2O7)2,-7.4539561457,-2.5383832982,0.088947468,0.088947468,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Mn-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Mn-O-Si-Zn, expected MnZn3Si5O27 to be Mn2Zn3(Si2O7)2" +mp-1931800,Mn13Si2(SbO14)2,-8.0786851456,-1.9293046733,0.2480400459,0.2480400459,GGA+U,Cm,A13B28C2D2_mC90_8_a6b_4a12b_b_2a:Mn-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_mC90_12_a4g7j_4i21j_g_i:Mn-O-Sb-Si, expected Mn37Si2(SbO46)2 to be Mn13Si2(SbO14)2" +mp-1331450,Mn13Si2(SbO14)2,-8.078020136,-1.9286396637,0.2487050555,0.2487050555,GGA+U,C2/m,A13B28C2D2_mC90_12_a2g2j_2i6j_g_i:Mn-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_mC90_12_a4g7j_4i21j_g_i:Mn-O-Sb-Si, expected Mn37Si2(SbO46)2 to be Mn13Si2(SbO14)2" +mp-1254678,Zn3Si4(SbO7)2,-6.8678474298,-2.3899279782,0.1742100622,0.1742100622,GGA,C2/c,A14B2C4D3_mC92_15_7f_ae_2f_ef:O-Sb-Si-Zn,46.0,"Invalid WP multiplicities - A14B2C4D3_mC92_15_27f_ae_5f_2e2f:O-Sb-Si-Zn, expected Zn3Si5SbO27 to be Zn3Si4(SbO7)2" +mp-850230,Mn9Zn6Si4(SbO14)2,-7.5676355729,-2.2924690871,0.0,-0.0071904093,GGA+U,P-1,A9B28C2D4E6_aP49_2_a4i_14i_i_2i_3i:Mn-O-Sb-Si-Zn,49.0,"Invalid WP multiplicities - A9B28C2D4E6_aP49_2_a7i_27i_i_3i_5i:Mn-O-Sb-Si-Zn, expected Mn15Zn10Si6(SbO27)2 to be Mn9Zn6Si4(SbO14)2" +mp-1264019,Mn2Zn3(SiO4)3,-7.263319074,-2.376345072,0.1548804958,0.1548804958,GGA+U,I4_1/acd,A2B12C3D3_tI160_142_c_3g_ae_be:Mn-O-Si-Zn,80.0,"Invalid WP multiplicities - A2B12C3D3_tI160_142_c_37g_3a2e_3b3e:Mn-O-Si-Zn, expected Mn2Zn9Si7O148 to be Mn2Zn3(SiO4)3" +mp-1328058,Mn2Zn3(SiO4)3,-7.2357113184,-2.3487373164,0.1824882514,0.1824882514,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Mn-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Mn-O-Si-Zn +mp-1361075,Ba2CaCuSn2F14,-5.4560065963,-3.219876312,0.1325897403,0.1325897403,GGA,P1,A2BCD14E2_aP40_1_4a_2a_2a_28a_4a:Ba-Ca-Cu-F-Sn,40.0,A2BCD14E2_aP40_1_4a_2a_2a_28a_4a:Ba-Ca-Cu-F-Sn +mp-1041385,BaCaSnF7,-5.6402909038,-3.508840959,0.1317542085,0.1317542085,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Sn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Sn, expected BaCaSnF23 to be BaCaSnF7" +mp-1235116,Sr4LiTb2(RuO6)2,-7.3078347048,-2.7438014431,0.0798650542,0.0798650542,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb +mp-1235121,Sr4LiTb2(RuO6)2,-7.2929848938,-2.7289516321,0.0947148652,0.0947148652,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb +mp-1235837,Sr4LiTb2(RuO6)2,-7.3007525357,-2.736719274,0.0869472233,0.0869472233,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Tb +mp-1210924,LiTb2RuO6,-7.879645379,-2.8664263916,0.0,-0.0166391023,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Li-O-Ru-Tb,20.0,AB6CD2_mP20_14_a_3e_b_e:Li-O-Ru-Tb +mp-6721,Sr3LiRuO6,-6.7588552255,-2.5832244951,0.0,-0.0657532836,GGA,R-3c,AB6CD3_hR66_167_a_f_b_e:Li-O-Ru-Sr,22.0,AB6CD3_hR66_167_a_f_b_e:Li-O-Ru-Sr +mp-1218614,Sr4Li(RuO4)3,-7.048594205,-2.2560757633,0.0256682748,0.0256682748,GGA,P-1,AB12C3D4_aP20_2_a_6i_beh_2i:Li-O-Ru-Sr,20.0,"Invalid WP multiplicities - AB12C3D4_aP20_2_a_12i_beh_4i:Li-O-Ru-Sr, expected Sr8Li(RuO8)3 to be Sr4Li(RuO4)3" +mp-38586,Ca(Nd2Se3)4,-6.050368699,-2.1407631242,0.0139352427,0.0139352427,GGA,Cc,AB8C12_mC84_9_a_8a_12a:Ca-Nd-Se,42.0,"Invalid WP multiplicities - AB8C12_mC84_9_a_16a_24a:Ca-Nd-Se, expected Ca(Nd2Se3)8 to be Ca(Nd2Se3)4" +mp-1225152,EuGa3Cu,-5.106048172,-0.4179488645,0.0,-0.0200247074,GGA,I-4m2,ABC3_tI10_119_a_c_bf:Cu-Eu-Ga,5.0,ABC3_tI10_119_a_c_bf:Cu-Eu-Ga +mp-662575,Sr2EuGaCu2O7,-6.9312066977,-2.3551052325,0.0090966075,0.0090966075,GGA,Ima2,A2BCD7E2_oI52_46_c_a_b_b3c_c:Cu-Eu-Ga-O-Sr,26.0,"Invalid WP multiplicities - A2BCD7E2_oI52_46_c_a_b_2b9c_c:Cu-Eu-Ga-O-Sr, expected Sr2EuGa(CuO10)2 to be Sr2EuGaCu2O7" +mp-1225215,EuGaCu,-6.14427517,-0.3495070058,0.0045254693,0.0045254693,GGA,C2/m,ABC_mC12_12_i_i_i:Cu-Eu-Ga,6.0,ABC_mC12_12_i_i_i:Cu-Eu-Ga +mp-1232335,Na2Li2Cu(BrO)2,-4.0512646822,-1.4333161186,0.3370554285,0.3370554285,GGA,I4/mmm,A2BC2D2E2_tI18_139_e_a_d_e_c:Br-Cu-Li-Na-O,9.0,A2BC2D2E2_tI18_139_e_a_d_e_c:Br-Cu-Li-Na-O +mp-1518246,SrCaTbGeO6,-7.127906849,-2.8646448934,0.1978652078,0.1978652078,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ge-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ge-O-Sr-Tb +mp-1520630,Sr2TbGeO6,-7.150802218,-2.9191509051,0.116114932,0.116114932,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ge-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Ge-O-Sr-Tb +mp-1522542,BaHfZrSnO6,-8.650415247,-3.2390583747,0.125088134,0.125088134,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sn-Zr +mp-557130,Zn2TeCl2O3,-4.648720763,-1.6237291921,0.0,-0.0185440923,GGA,Pccn,A2B3CD2_oP64_56_2e_3e_e_2e:Cl-O-Te-Zn,64.0,"Invalid WP multiplicities - A2B3CD2_oP64_56_10e_16e_e_10e:Cl-O-Te-Zn, expected Zn10Te(Cl5O8)2 to be Zn2TeCl2O3" +mp-1207435,ZnCu3(ClO3)2,-4.661888395,-0.7506742944,0.1917678726,0.1917678726,GGA,P-3m1,A2B3C6D_hP12_164_d_e_i_a:Cl-Cu-O-Zn,12.0,A2B3C6D_hP12_164_d_e_i_a:Cl-Cu-O-Zn +mp-1350717,Zn3Cu10(TeO6)6,-5.51246083,-1.1176985301,0.0587299433,0.0587299433,GGA,P1,A10B36C6D3_aP55_1_10a_36a_6a_3a:Cu-O-Te-Zn,55.0,A10B36C6D3_aP55_1_10a_36a_6a_3a:Cu-O-Te-Zn +mp-1215702,Zn3Cu3(TeO6)2,-5.4677382032,-1.3815518452,0.0287677309,0.0287677309,GGA,I2_13,A3B12C2D3_cI80_199_b_2c_a_b:Cu-O-Te-Zn,40.0,A3B12C2D3_cI80_199_b_2c_a_b:Cu-O-Te-Zn +mp-1203217,Zn4Cu5(TeO6)3,-5.4753014038,-1.3417906614,0.0363027661,0.0363027661,GGA,C2,A5B18C3D4_mC120_5_ab4c_18c_3c_4c:Cu-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_2e2f_13f_cf_2f:Cu-O-Te-Zn, expected Zn4Cu6Te3O26 to be Zn4Cu5(TeO6)3" +mp-557936,Zn4Cu5(TeO6)3,-5.4887718535,-1.3552611111,0.0228323164,0.0228323164,GGA,C2/c,A5B18C3D4_mC120_15_e2f_9f_af_2f:Cu-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_e4f_35f_c2f_6f:Cu-O-Te-Zn, expected Zn12Cu9(TeO14)5 to be Zn4Cu5(TeO6)3" +mp-680388,ZnCuTeCl2O3,-4.7530370028,-1.3731125494,0.0089985587,0.0089985587,GGA,Pccn,A2BC3DE_oP64_56_2e_e_3e_e_e:Cl-Cu-O-Te-Zn,64.0,"Invalid WP multiplicities - A2BC3DE_oP64_56_10e_e_16e_e_e:Cl-Cu-O-Te-Zn, expected ZnCuTe(Cl5O8)2 to be ZnCuTeCl2O3" +mp-1041016,ZnCu2(TeO4)2,-5.491774174,-1.2365219874,0.1190983079,0.1190983079,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-Te-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-Te-Zn, expected ZnCu6Te5O26 to be ZnCu2(TeO4)2" +mp-2218336,Sm2MgNb2O8,-8.6052225685,-3.1580247154,0.2222340786,0.2222340786,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Sm,13.0,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Sm +mp-2218374,Sm2MgNb2O8,-8.5092650162,-3.0620671631,0.3181916309,0.3181916309,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Sm,13.0,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Sm +mp-2226827,Ba2SmMgNbO6,-7.3000371227,-2.760195907,0.411603368,0.411603368,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nb-O-Sm,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Nb-O-Sm, expected Ba2SmMgNbO12 to be Ba2SmMgNbO6" +mp-2222862,Ba2SmMgNbO6,-7.3924820364,-2.8526408207,0.3191584543,0.3191584543,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Sm,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Nb-O-Sm, expected Ba2SmMgNbO15 to be Ba2SmMgNbO6" +mp-2226844,Ba2SmMgNbO6,-7.2968042191,-2.7569630034,0.4148362716,0.4148362716,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Sm,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Nb-O-Sm, expected Ba2SmMgNbO15 to be Ba2SmMgNbO6" +mp-1046507,Ba2Tl2Zn2Co3O10,-5.8579515279,-1.5487639547,0.1845378177,0.1845378177,GGA+U,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Co-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Co-O-Tl-Zn +mp-1048339,Ba2Tl2Zn3(CoO3)4,-5.7435362113,-1.3897969627,0.3111176906,0.3111176906,GGA+U,I4/mmm,A2B4C12D2E3_tI46_139_e_2e_2e2g_e_ae:Ba-Co-O-Tl-Zn,23.0,"Invalid WP multiplicities - A2B4C12D2E3_tI46_139_e_3e_4e6g_e_ae:Ba-Co-O-Tl-Zn, expected Ba2Tl2Zn3(Co3O16)2 to be Ba2Tl2Zn3(CoO3)4" +mp-1226511,CeSnO4,-7.7851904183,-2.8302877758,0.1885329733,0.1885329733,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ce-O-Sn,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ce-O-Sn, expected CeSnO6 to be CeSnO4" +mp-1226901,Ce4SnO10,-8.615261096,-3.4680067235,0.0971083547,0.0971083547,GGA,Immm,A4B10C_oI30_71_2e_g2n_b:Ce-O-Sn,15.0,"Invalid WP multiplicities - A4B10C_oI30_71_3e_2g7n_b:Ce-O-Sn, expected Ce6SnO32 to be Ce4SnO10" +mp-1226854,Ce4SnO10,-8.6388302013,-3.4915758288,0.0735392493,0.0735392493,GGA,R-3m,A4B10C_hR45_166_2c_5c_a:Ce-O-Sn,15.0,"Invalid WP multiplicities - A4B10C_hR45_166_3c_10c_a:Ce-O-Sn, expected Ce6SnO20 to be Ce4SnO10" +mp-1518971,Sr2CeSnO6,-7.4108015075,-3.1106234891,0.0211152652,0.0211152652,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Ce-O-Sn-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Ce-O-Sn-Sr +mp-1519033,Sr2CeSnO6,-7.35921452,-3.0590365016,0.0727022527,0.0727022527,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Ce-O-Sn-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Ce-O-Sn-Sr +mp-1520688,Sr2CeCrO6,-7.873139545,-3.0086139651,0.1277380653,0.1277380653,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Cr-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Cr-O-Sr +mp-1517421,SrCeCrSnO6,-7.825734683,-2.7292012629,0.2064139009,0.2064139009,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ce-Cr-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ce-Cr-O-Sn-Sr +mp-1226805,Ce3SnO8,-8.4682851792,-3.3530894283,0.120976595,0.120976595,GGA,P4/mmm,A3B8C_tP12_123_ah_2i_b:Ce-O-Sn,12.0,"Invalid WP multiplicities - A3B8C_tP12_123_a2h_5i_b:Ce-O-Sn, expected Ce5SnO20 to be Ce3SnO8" +mp-1226979,Ce3SnO8,-8.4914071575,-3.3762114067,0.0978546167,0.0978546167,GGA,R-3m,A3B8C_hR36_166_ac_4c_b:Ce-O-Sn,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_a2c_7c_b:Ce-O-Sn, expected Ce5SnO14 to be Ce3SnO8" +mp-1211147,LiPr(MoO4)2,-8.1410521075,-2.4781655632,0.0483964002,0.0483964002,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Li-Mo-O-Pr,24.0,AB2C8D_mP24_13_e_g_4g_f:Li-Mo-O-Pr +mp-1222481,LiCe(MoO4)2,-8.2269747575,-2.4680729299,0.0733139487,0.0733139487,GGA+U,I-4,ABC2D8_tI24_82_a_c_bd_2g:Ce-Li-Mo-O,12.0,"Invalid WP multiplicities - ABC2D8_tI24_82_a_c_bd_3g:Ce-Li-Mo-O, expected LiCe(MoO6)2 to be LiCe(MoO4)2" +mp-1222777,Li2CePr(MoO4)4,-8.1904830125,-2.4795888265,0.0543855944,0.0543855944,GGA+U,P-4,AB2C4D16E_tP24_81_a_g_bcg_4h_d:Ce-Li-Mo-O-Pr,24.0,"Invalid WP multiplicities - AB2C4D16E_tP24_81_a_g_bcg_16h_d:Ce-Li-Mo-O-Pr, expected Li2CePr(MoO16)4 to be Li2CePr(MoO4)4" +mp-1234815,Dy2MgMn4O8,-8.2272715627,-2.4249099234,0.37503307,0.37503307,GGA+U,C2,A2BC4D8_mC30_5_ab_a_2c_4c:Dy-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_5_ab_a_4c_7c:Dy-Mg-Mn-O, expected Dy2MgMn8O14 to be Dy2MgMn4O8" +mp-2227904,DyMgMn2O4,-8.0050541763,-2.4653226364,0.2938970645,0.2938970645,GGA+U,R3m,ABC2D4_hR24_160_a_a_2a_4a:Dy-Mg-Mn-O,8.0,ABC2D4_hR24_160_a_a_2a_4a:Dy-Mg-Mn-O +mp-2225924,DyMgMn2O4,-7.9983976338,-2.4586660939,0.300553607,0.300553607,GGA+U,R-3m,ABC2D4_hR24_166_a_b_c_2c:Dy-Mg-Mn-O,8.0,ABC2D4_hR24_166_a_b_c_2c:Dy-Mg-Mn-O +mp-765243,Li4Ti2Si4O13,-7.7638491674,-3.0058099993,0.0759945242,0.0759945242,GGA,Pna2_1,A4B13C4D2_oP92_33_4a_13a_4a_2a:Li-O-Si-Ti,92.0,"Invalid WP multiplicities - A4B13C4D2_oP92_33_13a_49a_13a_5a:Li-O-Si-Ti, expected Li13Ti5Si13O49 to be Li4Ti2Si4O13" +mp-766202,Li7Ti3(SiO6)2,-7.3262184233,-2.8570585603,0.0747035202,0.0747035202,GGA,C2/m,A7B12C2D3_mC48_12_aij_2i2j_g_dh:Li-O-Si-Ti,24.0,"Invalid WP multiplicities - A7B12C2D3_mC48_12_a2i2j_4i8j_g_ch:Li-O-Si-Ti, expected Li13Ti3(SiO20)2 to be Li7Ti3(SiO6)2" +mp-757716,LiTi(Si2O5)2,-8.2051365953,-3.1443507131,0.0605402004,0.0605402004,GGA,P2/c,AB10C4D_mP32_13_e_bf4g_2g_e:Li-O-Si-Ti,32.0,"Invalid WP multiplicities - AB10C4D_mP32_13_e_2b2f15g_5g_e:Li-O-Si-Ti, expected LiTi(Si5O17)2 to be LiTi(Si2O5)2" +mp-867649,LiTi(Si2O5)2,-8.1832666809,-3.1224807987,0.0824101148,0.0824101148,GGA,Pnc2,AB10C4D_oP32_30_a_ab4c_2c_b:Li-O-Si-Ti,32.0,"Invalid WP multiplicities - AB10C4D_oP32_30_a_ab8c_3c_b:Li-O-Si-Ti, expected LiTi(SiO3)6 to be LiTi(Si2O5)2" +mp-753511,LiTiSiO4,-8.0614433286,-3.0590879345,0.0646214673,0.0646214673,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Li-O-Si-Ti,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_8c3d_c_c:Li-O-Si-Ti, expected LiTiSiO14 to be LiTiSiO4" +mp-1176604,LiTiSiO4,-8.0601700261,-3.057814632,0.0658947698,0.0658947698,GGA,Pbcn,AB4CD_oP84_60_cd_6d_cd_ad:Li-O-Si-Ti,84.0,"Invalid WP multiplicities - AB4CD_oP84_60_2c3d_25d_2c3d_2a2d:Li-O-Si-Ti, expected Li4Ti3Si4O25 to be LiTiSiO4" +mp-753580,LiTiSiO4,-8.0423954939,-3.0400400999,0.083669302,0.083669302,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_a:Li-O-Si-Ti,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_c_5c4d_c_a:Li-O-Si-Ti, expected LiTiSiO13 to be LiTiSiO4" +mp-753349,LiTiSiO4,-8.0582721557,-3.0559167617,0.0677926402,0.0677926402,GGA,Cmcm,AB4CD_oC28_63_c_fg_c_a:Li-O-Si-Ti,14.0,"Invalid WP multiplicities - AB4CD_oC28_63_c_f2g_c_a:Li-O-Si-Ti, expected LiTiSiO6 to be LiTiSiO4" +mp-753305,LiTiSiO4,-8.0506443564,-3.0482889624,0.0754204395,0.0754204395,GGA,Imma,AB4CD_oI28_74_a_hi_e_c:Li-O-Si-Ti,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_a_h2i_e_c:Li-O-Si-Ti, expected LiTiSiO6 to be LiTiSiO4" +mp-1176566,LiTiSiO4,-8.0495249046,-3.0471695106,0.0765398913,0.0765398913,GGA,P4_322,AB4CD_tP28_95_a_2d_c_b:Li-O-Si-Ti,28.0,"Invalid WP multiplicities - AB4CD_tP28_95_a_3d_c_b:Li-O-Si-Ti, expected LiTiSiO6 to be LiTiSiO4" +mp-757542,Li3Ti(Si2O5)3,-7.8951214864,-3.0801415078,0.0569715735,0.0569715735,GGA,Pnma,A3B15C6D_oP100_62_cd_5c5d_2c2d_c:Li-O-Si-Ti,100.0,"Invalid WP multiplicities - A3B15C6D_oP100_62_2c2d_19c20d_8c9d_c:Li-O-Si-Ti, expected Li6TiSi26O59 to be Li3Ti(Si2O5)3" +mp-772545,Li3Ti(Si2O5)3,-7.8992309179,-3.0842509393,0.052862142,0.052862142,GGA,Cmce,A3B15C6D_oC200_64_def_3f6g_3g_e:Li-O-Si-Ti,100.0,"Invalid WP multiplicities - A3B15C6D_oC200_64_4d2ef_10f20g_5g_e:Li-O-Si-Ti, expected Li7Ti(SiO5)10 to be Li3Ti(Si2O5)3" +mp-6332,Li2TiSiO5,-7.755938045,-3.1034825632,0.0,-0.0136331022,GGA,P4/nmm,A2B5CD_tP18_129_d_ci_b_c:Li-O-Si-Ti,18.0,A2B5CD_tP18_129_d_ci_b_c:Li-O-Si-Ti +mp-1105323,LiNdTi2O6,-8.6553686275,-3.4405499675,0.0343323524,0.0343323524,GGA,Pm,ABC6D2_mP20_6_2a_2b_2a2b4c_2c:Li-Nd-O-Ti,20.0,ABC6D2_mP20_6_2a_2b_2a2b4c_2c:Li-Nd-O-Ti +mp-1105497,LiNdTi2O6,-8.6801841835,-3.4653655235,0.0095167964,0.0095167964,GGA,Pmc2_1,ABC6D2_oP20_26_a_b_ab2c_c:Li-Nd-O-Ti,20.0,ABC6D2_oP20_26_a_b_ab2c_c:Li-Nd-O-Ti +mp-766449,Li3TiSiO5,-7.2099055735,-2.8318033532,0.0903125245,0.0903125245,GGA,Pna2_1,A3B5CD_oP40_33_3a_5a_a_a:Li-O-Si-Ti,40.0,"Invalid WP multiplicities - A3B5CD_oP40_33_6a_10a_a_a:Li-O-Si-Ti, expected Li6TiSiO10 to be Li3TiSiO5" +mp-1519505,LiNdTi4O12,-8.3083973956,-2.88510279,0.2165009418,0.2165009418,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Li-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Li-Nd-O-Ti, expected LiNdTi4O16 to be LiNdTi4O12" +mp-10520,LiNdTiO4,-8.3263653329,-3.4178914527,0.0232029957,0.0232029957,GGA,P4/nmm,ABC4D_tP14_129_a_c_2cf_c:Li-Nd-O-Ti,14.0,ABC4D_tP14_129_a_c_2cf_c:Li-Nd-O-Ti +mp-760462,Li5Ti(SiO4)2,-7.0845193194,-2.8430035631,0.0646430103,0.0646430103,GGA,C2,A5B8C2D_mC32_5_a2bc_4c_c_a:Li-O-Si-Ti,16.0,"Invalid WP multiplicities - A5B8C2D_mC32_5_a2b2c_8c_c_a:Li-O-Si-Ti, expected Li7Ti(SiO8)2 to be Li5Ti(SiO4)2" +mp-766251,LiTiSi3O8,-8.1541370177,-3.103838659,0.0864812139,0.0864812139,GGA,P-1,AB8C3D_aP26_2_i_8i_3i_i:Li-O-Si-Ti,26.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_15i_5i_i:Li-O-Si-Ti, expected LiTi(SiO3)5 to be LiTiSi3O8" +mp-1376587,LiTiSi3O8,-3.9714852427,1.078813116,4.2691329889,4.2691329889,GGA,P-1,AB8C3D_aP26_2_i_8i_3i_i:Li-O-Si-Ti,26.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_15i_5i_i:Li-O-Si-Ti, expected LiTi(SiO3)5 to be LiTiSi3O8" +mp-766170,Li9Ti5(SiO8)2,-7.4528951181,-2.8699132018,0.0739066323,0.0739066323,GGA,P-1,A9B16C2D5_aP32_2_b4i_8i_i_c2i:Li-O-Si-Ti,32.0,"Invalid WP multiplicities - A9B16C2D5_aP32_2_b7i_15i_i_c4i:Li-O-Si-Ti, expected Li15Ti9(SiO15)2 to be Li9Ti5(SiO8)2" +mp-757048,LiTi(SiO3)2,-8.129884246,-3.0963659249,0.0706402831,0.0706402831,GGA,P-1,AB6C2D_aP30_2_ai_9i_3i_di:Li-O-Si-Ti,30.0,"Invalid WP multiplicities - AB6C2D_aP30_2_a2i_17i_5i_d2i:Li-O-Si-Ti, expected Li5Ti5(Si5O17)2 to be LiTi(SiO3)2" +mp-11206,LiTi(SiO3)2,-8.168318998,-3.1348006769,0.0322055311,0.0322055311,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Li-O-Si-Ti,20.0,"Invalid WP multiplicities - AB6C2D_mC40_15_e_5f_f_e:Li-O-Si-Ti, expected LiTi(SiO5)2 to be LiTi(SiO3)2" +mp-757419,LiTi(SiO3)2,-8.1640352314,-3.1305169103,0.0364892978,0.0364892978,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Li-O-Si-Ti,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_21c_5c_c:Li-O-Si-Ti, expected LiTiSi5O21 to be LiTi(SiO3)2" +mp-1222961,LaSm3O6,-8.703982368,-3.8267925903,0.0389709105,0.0389709105,GGA,Cm,AB6C3_mC60_8_3a_18a_9a:La-O-Sm,30.0,AB6C3_mC60_8_3a_18a_9a:La-O-Sm +mp-1227930,BaLaSmMn3O9,-8.3695027087,-2.7975152115,0.0941174102,0.0941174102,GGA+U,P321,ABC3D9E_hP30_150_ab_d_c2d_ef2g_d:Ba-La-Mn-O-Sm,30.0,"Invalid WP multiplicities - ABC3D9E_hP30_150_ab_d_2c4d_3e3f7g_d:Ba-La-Mn-O-Sm, expected BaLaSmMn6O30 to be BaLaSmMn3O9" +mp-778450,LaSmO3,-8.7009754675,-3.8020435927,0.0667675653,0.0667675653,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:La-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_33_a_9a_a:La-O-Sm, expected LaSmO9 to be LaSmO3" +mp-1223203,La4SmMn5O15,-8.6723002088,-2.8933793414,0.2355945648,0.2355945648,GGA+U,Cmmm,A4B5C15D_oC50_65_2g_c2h_bf2g2q_a:La-Mn-O-Sm,25.0,"Invalid WP multiplicities - A4B5C15D_oC50_65_3g_c4h_b2f3g6q_a:La-Mn-O-Sm, expected La6SmMn9O35 to be La4SmMn5O15" +mp-1099865,La7SmMn8O20,-8.8041111292,-2.9290963395,0.1066618653,0.1066618653,GGA+U,P1,A7B8C20D_aP144_1_28a_32a_80a_4a:La-Mn-O-Sm,144.0,A7B8C20D_aP144_1_28a_32a_80a_4a:La-Mn-O-Sm +mp-1099923,La7SmMn8O24,-8.692534549,-2.9103523671,0.2195311859,0.2195311859,GGA+U,Pm-3m,A7B8C24D_cP40_221_acd_g_ij_b:La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A7B8C24D_cP40_221_a2c2d_g_7i6j_b:La-Mn-O-Sm, expected La13SmMn8O156 to be La7SmMn8O24" +mp-1044460,CaPr(BiO3)2,-6.85694483,-2.4421832138,0.0483298067,0.0483298067,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Bi-Ca-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Bi-Ca-O-Pr, expected CaPr(BiO6)2 to be CaPr(BiO3)2" +mp-2231257,Pr2Mg(BiO3)4,-6.6867284958,-2.1665015161,0.1176529253,0.1176529253,GGA,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Pr,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-Pr +mp-1522801,CaPrMgBiO6,-6.719843709,-2.5291030007,0.1920016905,0.1920016905,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Mg-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Mg-O-Pr +mp-1044422,PrMg(BiO3)2,-6.6527461315,-2.2785164982,0.1471225755,0.1471225755,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Bi-Mg-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Bi-Mg-O-Pr, expected PrMg(BiO6)2 to be PrMg(BiO3)2" +mp-1519697,PrMg(BiO3)2,-6.367224924,-1.9929952907,0.432643783,0.432643783,GGA,I4/m,A2BC6D_tI20_87_d_a_eh_b:Bi-Mg-O-Pr,10.0,A2BC6D_tI20_87_d_a_eh_b:Bi-Mg-O-Pr +mp-1519705,PrMg(BiO3)2,-6.360194132,-1.9859644987,0.439674575,0.439674575,GGA,P4/mnc,A2BC6D_tP20_128_d_a_eh_b:Bi-Mg-O-Pr,20.0,A2BC6D_tP20_128_d_a_eh_b:Bi-Mg-O-Pr +mp-1519716,PrMg(BiO3)2,-6.4739727348,-2.0997431015,0.3258959722,0.3258959722,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Bi-Mg-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Bi-Mg-O-Pr +mp-1519506,PrMg(BiO3)2,-6.053123084,-1.6788934507,0.746745623,0.746745623,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Bi-Mg-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Bi-Mg-O-Pr +mp-1520093,BaNaLaFeO6,-6.837357453,-2.2045913714,0.1404439085,0.1404439085,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Fe-La-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Fe-La-Na-O +mp-1330276,MgCoAsO5,-6.6250233366,-1.8623783608,0.1041137143,0.1041137143,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Co-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Co-Mg-O +mp-1227829,Ca4MgCo(AsO5)4,-6.4513405487,-1.974632375,0.1910398966,0.1910398966,GGA+U,P-1,A4B4CDE20_aP30_2_2i_2i_b_d_10i:As-Ca-Co-Mg-O,30.0,A4B4CDE20_aP30_2_2i_2i_b_d_10i:As-Ca-Co-Mg-O +mp-1038101,CaMg30CoO32,-6.3466829789,-2.9808023862,0.0258501537,0.0258501537,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Co-Mg-O, expected CaMg90CoO80 to be CaMg30CoO32" +mp-1038117,CaMg30CoO32,-6.3418457633,-2.9759651705000003,0.0306873693,0.0306873693,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Co-Mg-O, expected CaMg110CoO72 to be CaMg30CoO32" +mp-1099114,CaMg6Co,-2.1889417575,0.1505079894,0.2073074341,0.2073074341,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Co-Mg,8.0,ABC6_oC16_38_a_b_abde:Ca-Co-Mg +mp-1047370,Ca3Co3(AsO4)4,-6.9478306298,-2.1353211673,0.0041156946,0.0041156946,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Co-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Co-O, expected Ca3Co3(As5O29)2 to be Ca3Co3(AsO4)4" +mp-569298,Ca(CoAs)2,-5.719786554,-0.611692098,0.0,-0.054803532,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Co,5.0,A2BC2_tI10_139_e_a_d:As-Ca-Co +mp-1076128,Ca7Mg(CoO3)8,-6.628986227,-1.848322461,0.1863083239,0.1863083239,GGA+U,Pm-3m,A7B8CD24_cP40_221_acd_g_b_ij:Ca-Co-Mg-O,40.0,"Invalid WP multiplicities - A7B8CD24_cP40_221_a3c3d_g_b_6i6j:Ca-Co-Mg-O, expected Ca19Mg(CoO18)8 to be Ca7Mg(CoO3)8" +mp-1076526,Ca7Mg(Co2O5)4,-6.8831543452,-2.1209377953,0.074484842,0.074484842,GGA+U,P1,A7B8CD20_aP144_1_28a_32a_4a_80a:Ca-Co-Mg-O,144.0,A7B8CD20_aP144_1_28a_32a_4a_80a:Ca-Co-Mg-O +mp-1227904,Ca6Mg2Co(AsO5)6,-6.43213843,-2.0166306757,0.184652055,0.184652055,GGA+U,P-1,A6B6CD2E30_aP45_2_3i_3i_a_i_15i:As-Ca-Co-Mg-O,45.0,"Invalid WP multiplicities - A6B6CD2E30_aP45_2_6i_6i_a_i_30i:As-Ca-Co-Mg-O, expected Ca12Mg2Co(AsO5)12 to be Ca6Mg2Co(AsO5)6" +mp-1042739,CaCoAs2O7,-6.8730826507,-2.0495394267,0.0153555755,0.0153555755,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Co-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Co-O +mp-1036443,CaMg14CoO16,-6.3807938566,-2.9225170517,0.0367477287,0.0367477287,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Co-Mg-O, expected CaMg18CoO20 to be CaMg14CoO16" +mp-1036401,CaMg14CoO16,-6.3596127769,-2.901335972,0.0579288084,0.0579288084,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Co-Mg-O, expected CaMg30CoO32 to be CaMg14CoO16" +mp-1047775,Mg3Co3(AsO4)4,-6.721901851,-1.9561600612,0.0530211208,0.0530211208,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Co-Mg-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Co-Mg-O, expected Mg3Co3(As5O29)2 to be Mg3Co3(AsO4)4" +mp-1032949,CaMg6CoO8,-6.3795594188,-2.7364901897,0.1279990717,0.1279990717,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Co-Mg-O, expected CaMg6CoO12 to be CaMg6CoO8" +mp-1032957,CaMg6CoO8,-6.3834040881,-2.7403348591,0.1241544023,0.1241544023,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Co-Mg-O, expected CaMg6CoO12 to be CaMg6CoO8" +mp-1028339,CaMg14Co,-1.8943043175,0.0755605809,0.1162844505,0.1162844505,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Co-Mg, expected CaMg18Co to be CaMg14Co" +mp-1028179,CaMg14Co,-1.8772536938,0.0926112047,0.1333350742,0.1333350742,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Co-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Co-Mg, expected CaMg26Co to be CaMg14Co" +mp-1103860,Ca2Co(AsO5)2,-6.5446638613,-1.8843544295,0.1744864648,0.1744864648,GGA+U,P-1,A2B2CD10_aP15_2_i_i_a_5i:As-Ca-Co-O,15.0,A2B2CD10_aP15_2_i_i_a_5i:As-Ca-Co-O +mp-1042722,MgCoAs2O7,-6.7176828525,-1.9309868858,0.0101048824,0.0101048824,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Co-Mg-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Co-Mg-O +mp-1373701,CaCoAsO5,-6.8948277509,-2.0815177964,0.0325171562,0.0325171562,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Co-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Co-O +mp-1210906,Na2MnSb2,-3.04311325,0.9699004218,1.3050024109,1.3050024109,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Na-Sb,5.0,AB2C2_tP5_123_a_g_g:Mn-Na-Sb +mp-1094109,Na6MnNi3(SbO6)2,-6.0985994292,-1.8462725913,0.0045936633,0.0045936633,GGA+U,P2,AB6C3D12E2_mP24_3_a_3b3d_a2c_6e_ac:Mn-Na-Ni-O-Sb,24.0,"Invalid WP multiplicities - AB6C3D12E2_mP24_3_a_3b3d_a2c_10e_ac:Mn-Na-Ni-O-Sb, expected Na6MnNi3(SbO10)2 to be Na6MnNi3(SbO6)2" +mp-20970,NaMnSb,-5.0664104583,-0.1952298498,0.0840218078,0.0840218078,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Na-Sb,6.0,ABC_tP6_129_a_c_c:Mn-Na-Sb +mp-985626,Na3Mn2SbO6,-6.712026325,-2.0369646607,0.0,-0.0394495246,GGA+U,C2/m,A2B3C6D_mC24_12_g_ch_ij_b:Mn-Na-O-Sb,12.0,A2B3C6D_mC24_12_g_ch_ij_a:Mn-Na-O-Sb +mp-1218403,Sr3FeCo(ClO2)2,-6.4172805391,-2.4054034909,0.0835467355,0.0835467355,GGA+U,I4mm,A2BCD4E3_tI22_107_2a_a_a_2b_3a:Cl-Co-Fe-O-Sr,11.0,A2BCD4E3_tI22_107_2a_a_a_2b_3a:Cl-Co-Fe-O-Sr +mp-1516722,NaTbTi4O12,-8.2779681778,-2.8946835114,0.1977199415,0.1977199415,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Na-O-Tb-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Na-O-Tb-Ti, expected NaTbTi4O16 to be NaTbTi4O12" +mp-1310691,Li2FeTeO6,-6.2168237518,-1.7056932413,0.0875704321,0.0875704321,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Fe-Li-O-Te,40.0,AB2C6D_aP10_1_a_2a_6a_a:Fe-Li-O-Te +mp-1177983,Li2FeTeO6,-6.218141279,-1.7070107686,0.0862529048,0.0862529048,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Li-O-Te,10.0,"Invalid WP multiplicities - AB2C6D_hR30_146_a_2a_6b_a:Fe-Li-O-Te, expected Li2FeTeO18 to be Li2FeTeO6" +mp-799387,Li4Fe3TeO8,-5.8218985506,-1.0867378831,0.8367364658,0.8367364658,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Te,16.0,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Te +mp-759294,Li4Fe3TeO8,-6.5503160581,-1.8151553906,0.1083189583,0.1083189583,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Te,16.0,A3B4C8D_aP16_1_3a_4a_8a_a:Fe-Li-O-Te +mp-771580,Li4Fe3TeO8,-6.4912593369,-1.7560986694,0.1673756796,0.1673756796,GGA+U,C2/m,A3B4C8D_mC32_12_af_cde_2ij_b:Fe-Li-O-Te,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_ae_cdf_4i2j_b:Fe-Li-O-Te, expected Li4Fe3TeO16 to be Li4Fe3TeO8" +mp-771362,Li4Fe3TeO8,-6.5934826069,-1.8583219394,0.0651524096,0.0651524096,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Fe-Li-O-Te,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Fe-Li-O-Te, expected Li4Fe3TeO16 to be Li4Fe3TeO8" +mp-1308402,Li2Fe3TeO8,-6.9405021943000005,-1.8015932695,0.0342544107,0.0342544107,GGA+U,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Fe-Li-O-Te,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Fe-Li-O-Te +mp-1275810,Li2Fe3TeO8,-6.9465111832,-1.8076022585,0.0282454218,0.0282454218,GGA+U,C2/m,A3B2C8D_mC28_12_ae_i_2ij_c:Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2a3e_i_3i3j_d:Fe-Li-O-Te, expected Li2Fe8TeO18 to be Li2Fe3TeO8" +mp-1274949,Li2Fe3TeO8,-6.9479397929,-1.8090308681,0.0268168121,0.0268168121,GGA+U,P2/c,A3B2C8D_mP28_13_ace_g_4g_f:Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_13_2acf_g_8g_e:Fe-Li-O-Te, expected Li2Fe4TeO16 to be Li2Fe3TeO8" +mp-758547,Li2Fe3TeO8,-6.92077502,-1.7818660952,0.053981585,0.053981585,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Te,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Fe-Li-O-Te, expected Li2Fe3TeO10 to be Li2Fe3TeO8" +mp-775742,Li2Fe3TeO8,-6.9325960104,-1.7936870856,0.0421605946,0.0421605946,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Fe-Li-O-Te, expected Li3Fe3TeO30 to be Li2Fe3TeO8" +mp-777889,Li4Fe(TeO4)3,-6.020882142,-1.7760873974,0.0704311858,0.0704311858,GGA+U,P1,AB4C12D3_aP20_1_a_4a_12a_3a:Fe-Li-O-Te,20.0,AB4C12D3_aP20_1_a_4a_12a_3a:Fe-Li-O-Te +mp-755720,Li4Fe(TeO4)3,-6.0496925535,-1.8048978089,0.0416207743,0.0416207743,GGA+U,P2,AB4C12D3_mP20_3_a_abcd_6e_bcd:Fe-Li-O-Te,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_3_a_abcd_11e_bcd:Fe-Li-O-Te, expected Li4FeTe3O22 to be Li4Fe(TeO4)3" +mp-755294,Li4Fe3TeO12,-6.357513692,-1.5800474157000002,0.1154444211,0.1154444211,GGA+U,P2,A3B4C12D_mP20_3_abc_abcd_6e_d:Fe-Li-O-Te,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_3_abc_abcd_11e_d:Fe-Li-O-Te, expected Li4Fe3TeO22 to be Li4Fe3TeO12" +mp-1101915,Li2Cu2TeO6,-5.6050440673,-1.5287079551,0.0556218225,0.0556218225,GGA,C2/m,A2B2C6D_mC22_12_g_h_ij_a:Cu-Li-O-Te,11.0,A2B2C6D_mC22_12_g_h_ij_a:Cu-Li-O-Te +mp-772334,Li3Fe3TeO8,-6.7576840307,-1.8341075098,0.062797566,0.062797566,GGA+U,C2/m,A3B3C8D_mC30_12_bf_ce_2ij_a:Fe-Li-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_ae_cf_4i2j_b:Fe-Li-O-Te, expected Li3Fe3TeO16 to be Li3Fe3TeO8" +mp-756782,Li3Fe3TeO8,-6.7233369167,-1.7997603958,0.09714468,0.09714468,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Fe-Li-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_2c2h_a:Fe-Li-O-Te, expected Li3Fe3TeO16 to be Li3Fe3TeO8" +mp-754268,Li3Cu4TeO8,-5.4328164312,-1.3802907523,0.1283254716,0.1283254716,GGA,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Cu-Li-O-Te,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_cf_4i2j_b:Cu-Li-O-Te, expected Li3Cu4TeO16 to be Li3Cu4TeO8" +mp-1177187,Li5Cu5(TeO6)2,-5.4923395392,-1.5053593723,0.0845044891,0.0845044891,GGA,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Cu-Li-O-Te,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Cu-Li-O-Te, expected Li9Cu5(TeO6)2 to be Li5Cu5(TeO6)2" +mp-765617,Li4Fe2Cu3Te3O16,-6.0112999329,-1.5309323987,0.1192454104,0.1192454104,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cu-Fe-Li-O-Te,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cu-Fe-Li-O-Te +mp-756554,Li4Cu3TeO8,-5.4679971037,-1.5523641625,0.1169731725,0.1169731725,GGA,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Cu-Li-O-Te,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Cu-Li-O-Te, expected Li4Cu3TeO16 to be Li4Cu3TeO8" +mp-772822,Li3Cu3TeO8,-5.524671328,-1.4752577151,0.0735754705,0.0735754705,GGA,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Cu-Li-O-Te,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_2c2h_a:Cu-Li-O-Te, expected Li3Cu3TeO16 to be Li3Cu3TeO8" +mp-755347,LiCuTeO4,-5.6305403436,-1.4965131614,0.0687925592,0.0687925592,GGA,P4_322,ABC4D_tP28_95_c_a_2d_b:Cu-Li-O-Te,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Cu-Li-O-Te, expected LiCuTeO6 to be LiCuTeO4" +mp-777916,Li4Fe3Cu3(TeO8)2,-6.2923030679,-1.6216957010000002,0.0203743717,0.0203743717,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-Te, expected Li4Fe3Cu3(TeO10)2 to be Li4Fe3Cu3(TeO8)2" +mp-761021,Li3Cu(TeO3)4,-5.665506389,-1.5775332201,0.1016841955,0.1016841955,GGA,P1,AB3C12D4_aP20_1_a_3a_12a_4a:Cu-Li-O-Te,20.0,AB3C12D4_aP20_1_a_3a_12a_4a:Cu-Li-O-Te +mp-755495,Li5Cu3(TeO5)2,-5.4938875855,-1.6141009234,0.1050494924,0.1050494924,GGA,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Cu-Li-O-Te,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Cu-Li-O-Te, expected Li9Cu3(TeO9)2 to be Li5Cu3(TeO5)2" +mp-1517346,SrCaHfFeO6,-8.108148696,-2.9279051119,0.095112208,0.095112208,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Hf-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Hf-O-Sr +mp-2217983,Eu2MgTi2O6,-9.0526724655,-2.9085451972,0.3818923033,0.3818923033,GGA,C2/m,A2BC6D2_mC22_12_i_a_ghi_e:Eu-Mg-O-Ti,11.0,A2BC6D2_mC22_12_i_a_ghi_f:Eu-Mg-O-Ti +mp-2224836,Eu2MgTi2(ClO3)2,-8.6636103038,-3.1803431292,0.1283467431,0.1283467431,GGA,C2/m,A2B2CD6E2_mC26_12_i_i_a_3i_i:Cl-Eu-Mg-O-Ti,13.0,"Invalid WP multiplicities - A2B2CD6E2_mC26_12_i_i_a_5i_i:Cl-Eu-Mg-O-Ti, expected Eu2MgTi2(ClO5)2 to be Eu2MgTi2(ClO3)2" +mp-2210757,EuMgTiO3,-8.2481531083,-2.4826797749,0.5706541106,0.5706541106,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Eu-Mg-O-Ti,6.0,ABC3D_hR18_160_a_a_b_a:Eu-Mg-O-Ti +mp-555860,EuTiClO3,-9.010185055,-3.2033356199,0.0,-0.0029180117,GGA,C2/m,ABC3D_mC24_12_i_i_3i_i:Cl-Eu-O-Ti,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_i_5i_i:Cl-Eu-O-Ti, expected EuTiClO5 to be EuTiClO3" +mp-2241580,Eu2MgTiO4,-9.0502634125,-2.8256970985,0.2492067529,0.2492067529,GGA,Amm2,A2BC4D_oC16_38_2b_a_2a2b_a:Eu-Mg-O-Ti,8.0,A2BC4D_oC16_38_2b_a_2a2b_a:Eu-Mg-O-Ti +mp-1252241,Sr2AlTlCo2O7,-6.5455577308,-2.058583696,0.2161832315,0.2161832315,GGA+U,P1,AB2C7D2E_aP13_1_a_2a_7a_2a_a:Al-Co-O-Sr-Tl,13.0,AB2C7D2E_aP13_1_a_2a_7a_2a_a:Al-Co-O-Sr-Tl +mp-1045998,Sr2AlTlCo2O7,-6.4119890385,-1.9250150037,0.3497519238,0.3497519238,GGA+U,P4/mmm,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Co-O-Sr-Tl,13.0,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Co-O-Sr-Tl +mp-989543,Cs2BrCl6F,-2.846951419,-1.2122982188,0.0,-0.0656318329,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-F,10.0,AB6C2D_cF40_225_a_e_c_b:Br-Cl-Cs-F +mp-1220126,OsClF8,-4.49471481,-1.657941227,0.0512799974,0.0512799974,GGA,P1,AB8C_aP10_1_a_8a_a:Cl-F-Os,10.0,AB8C_aP10_1_a_8a_a:Cl-F-Os +mp-676815,OsClF8,-4.476674305,-1.639900722,0.0693205024,0.0693205024,GGA,P2/c,AB8C_mP20_13_e_4g_f:Cl-F-Os,20.0,"Invalid WP multiplicities - AB8C_mP20_13_e_16g_f:Cl-F-Os, expected OsClF32 to be OsClF8" +mp-1229109,Cs2OsBrClF4,-4.8614513778,-2.1874899295,0.0,-0.1302974214,GGA,I4mm,ABC2D4E_tI18_107_a_a_b_c_a:Br-Cl-Cs-F-Os,9.0,ABC2D4E_tI18_107_a_a_b_c_a:Br-Cl-Cs-F-Os +mp-1521569,BaCaCeHfO6,-8.6001045295,-3.6506060022,0.0832575085,0.0832575085,GGA,P-1,ABCDE6_aP20_2_i_i_ah_be_6i:Ba-Ca-Ce-Hf-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_i_ah_be_12i:Ba-Ca-Ce-Hf-O, expected BaCaCeHfO12 to be BaCaCeHfO6" +mp-1521543,BaCaCeHfO6,-8.6044534435,-3.6549549162,0.0789085945,0.0789085945,GGA,P222,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Ce-Hf-O,40.0,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Ce-Hf-O +mp-1521558,BaCaCeHfO6,-8.506539447,-3.5570409197,0.176822591,0.176822591,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Hf-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Hf-O +mp-1188807,Sr2CaReO6,-7.6731592265,-2.9222346026,0.0,-0.0119025888,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ca-O-Re-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Ca-O-Re-Sr +mp-1218473,Sr3Ca(CuO3)2,-6.1930128592,-2.4469607052,0.0160901529,0.0160901529,GGA,Cm,AB2C6D3_mC24_8_a_2a_6a_3a:Ca-Cu-O-Sr,12.0,AB2C6D3_mC24_8_a_2a_6a_3a:Ca-Cu-O-Sr +mp-1218738,Sr6Ca4Cu17O29,-5.9031635054,-1.7728091079,0.0257222243,0.0257222243,GGA,C2/m,A4B17C29D6_mC112_12_j_a3gi2j_d2h2i5j_ij:Ca-Cu-O-Sr,56.0,A4B17C29D6_mC112_12_j_a3gi2j_c2h2i5j_ij:Ca-Cu-O-Sr +mp-1218400,SrCa3(CuO3)2,-6.2903476342,-2.4916110758,0.0179763451,0.0179763451,GGA,Cm,A3B2C6D_mC24_8_3a_2a_6a_a:Ca-Cu-O-Sr,12.0,A3B2C6D_mC24_8_3a_2a_6a_a:Ca-Cu-O-Sr +mp-1218445,Sr3Ca(CuO2)4,-6.0253366069,-2.0850605687,0.0099589445,0.0099589445,GGA,Pmmm,AB4C8D3_oP16_47_e_2j_cd2ij_fk:Ca-Cu-O-Sr,16.0,"Invalid WP multiplicities - AB4C8D3_oP16_47_e_2j_cd2i2j_f2k:Ca-Cu-O-Sr, expected Sr5Ca(Cu2O5)2 to be Sr3Ca(CuO2)4" +mp-1218361,SrCaCuO3,-6.238149165,-2.4657548088,0.0224541475,0.0224541475,GGA,Imm2,ABC3D_oI12_44_a_a_2ab_a:Ca-Cu-O-Sr,6.0,ABC3D_oI12_44_a_a_2ab_a:Ca-Cu-O-Sr +mp-1218417,SrCa(CuO2)2,-6.0448308175,-2.0847981277,0.026255234,0.026255234,GGA,Amm2,AB2C4D_oC16_38_a_ab_2a2b_b:Ca-Cu-O-Sr,8.0,AB2C4D_oC16_38_a_ab_2a2b_b:Ca-Cu-O-Sr +mp-1218363,SrCa(CuO2)2,-6.0439211887,-2.083888499,0.0271648627,0.0271648627,GGA,I4/mmm,AB2C4D_tI16_139_a_d_f_b:Ca-Cu-O-Sr,8.0,AB2C4D_tI16_139_a_d_f_b:Ca-Cu-O-Sr +mp-21652,Sr8CaCu4(ReO8)3,-7.1244082765,-2.4250961562,0.0815269224,0.0815269224,GGA,Pm-3m,AB4C24D3E8_cP40_221_a_bc_efh_d_g:Ca-Cu-O-Re-Sr,40.0,"Invalid WP multiplicities - AB4C24D3E8_cP40_221_a_bc_e2fh_d_g:Ca-Cu-O-Re-Sr, expected Sr8CaCu4(ReO10)3 to be Sr8CaCu4(ReO8)3" +mp-1521255,BaSrPrZrO6,-7.9489913475,-3.2872706429,0.1058585613,0.1058585613,GGA,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-Zr,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-Zr +mp-1521221,BaSrPrZrO6,-7.874498565,-3.2127778604,0.1803513438,0.1803513438,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-Zr +mp-1519538,Ba2PrZrO6,-7.968245376,-3.2835765228,0.0881980049,0.0881980049,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Zr,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-Zr +mp-1519559,Ba2PrZrO6,-7.949556191,-3.2648873378,0.1068871899,0.1068871899,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Zr +mp-1232317,K2ZnSe2,-3.326145926,-1.2316730341,0.0,-0.044777142,GGA,Ibam,A2B2C_oI20_72_j_j_a:K-Se-Zn,10.0,A2B2C_oI20_72_j_j_a:K-Se-Zn +mp-1147626,K6ZnSe4,-3.2425116823,-1.2510768457,0.0,-0.0072697505,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:K-Se-Zn,22.0,A6B4C_hP22_186_2c_bc_b:K-Se-Zn +mp-1223703,K3Rb3Zn4Sn3Se13,-3.7009976369,-1.0553307803,0.0210640073,0.0210640073,GGA,R3m,A3B3C13D3E4_hR78_160_b_b_a2bc_b_ab:K-Rb-Se-Sn-Zn,26.0,A3B3C13D3E4_hR78_160_b_b_a2bc_b_ab:K-Rb-Se-Sn-Zn +mp-1195072,K2Zn(SnSe3)2,-3.9366489539,-0.9843622193,0.0,-0.0034532116,GGA,P4/ncc,A2B6C2D_tP44_130_2c_fg_e_b:K-Se-Sn-Zn,44.0,A2B6C2D_tP44_130_2c_fg_e_b:K-Se-Sn-Zn +mp-1232308,K2Zn3Se4,-3.3288607972,-1.1084525045,0.0,-0.0012736939,GGA,Ibam,A2B4C3_oI36_72_j_k_af:K-Se-Zn,18.0,A2B4C3_oI36_72_j_k_af:K-Se-Zn +mp-1038272,Mg30AlCrO32,-6.4182545217,-2.9854254036,0.0466989246,0.0466989246,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Cr-Mg-O, expected Mg90AlCrO80 to be Mg30AlCrO32" +mp-1038042,Mg30AlCrO32,-6.4121144988,-2.9792853806,0.0528389476,0.0528389476,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Cr-Mg-O, expected Mg110AlCrO72 to be Mg30AlCrO32" +mp-2228023,MgAlCrO4,-7.55619503,-2.5868152879,0.4176832196,0.4176832196,GGA+U,P1,ABCD4_aP7_1_a_a_a_4a:Al-Cr-Mg-O,7.0,"Invalid WP multiplicities - ABCD4_mC14_8_a_a_a_2a2b:Al-Cr-Mg-O, expected MgAlCrO6 to be MgAlCrO4" +mp-2227439,MgAlCrO4,-7.6469493329,-2.6775695907,0.3269289168,0.3269289168,GGA+U,Amm2,ABCD4_oC14_38_b_a_a_2bd:Al-Cr-Mg-O,7.0,"Invalid WP multiplicities - ABCD4_oC14_38_b_a_a_2b2d:Al-Cr-Mg-O, expected MgAlCrO6 to be MgAlCrO4" +mp-1033034,Mg6AlCrO8,-6.6307433913,-2.7198800606,0.2464963542,0.2464963542,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Cr-Mg-O, expected Mg6AlCrO12 to be Mg6AlCrO8" +mp-1033120,Mg6AlCrO8,-6.6748002819,-2.7639369512,0.2024394636,0.2024394636,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Cr-Mg-O, expected Mg6AlCrO12 to be Mg6AlCrO8" +mp-1229097,AlCrFeO4,-8.4943361821,-2.5435648457,0.0,-0.0008629296,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Al-Cr-Fe-O,14.0,ABCD4_oI28_74_a_c_e_hi:Al-Cr-Fe-O +mp-2229131,MgAl4Cr2O10,-7.9880747271,-2.967159114,0.13347819,0.13347819,GGA+U,P1,A4B2CD10_aP17_1_4a_2a_a_10a:Al-Cr-Mg-O,17.0,A4B2CD10_aP17_1_4a_2a_a_10a:Al-Cr-Mg-O +mp-2224718,MgAl4Cr2O10,-7.9525514029,-2.9316357899,0.1690015141,0.1690015141,GGA+U,Amm2,A4B2CD10_oC34_38_2c_ab_a_ab4c:Al-Cr-Mg-O,17.0,"Invalid WP multiplicities - A4B2CD10_oC34_38_2c_ab_a_ab6c:Al-Cr-Mg-O, expected MgAl4Cr2O14 to be MgAl4Cr2O10" +mp-2229810,MgAl4Cr2O10,-7.9184631171,-2.8975475040000003,0.2030898,0.2030898,GGA+U,C2/m,A4B2CD10_mC34_12_2i_i_a_5i:Al-Cr-Mg-O,17.0,"Invalid WP multiplicities - A4B2CD10_mC34_12_3i_i_a_9i:Al-Cr-Mg-O, expected MgAl6Cr2O18 to be MgAl4Cr2O10" +mp-1036586,Mg14AlCrO16,-6.5042442734,-2.9120704178,0.0981379393,0.0981379393,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Cr-Mg-O, expected Mg18AlCrO20 to be Mg14AlCrO16" +mp-1036585,Mg14AlCrO16,-6.4919463569,-2.8997725013,0.1104358559,0.1104358559,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Cr-Mg-O, expected Mg30AlCrO32 to be Mg14AlCrO16" +mp-1222061,MgAlCr3FeO8,-8.3919324536,-2.5098946543,0.0829117516,0.0829117516,GGA+U,R3m,AB3CDE8_hR42_160_a_b_a_a_2a2b:Al-Cr-Fe-Mg-O,14.0,AB3CDE8_hR42_160_a_b_a_a_2a2b:Al-Cr-Fe-Mg-O +mp-1516601,BaCaDyNbO6,-8.190780213,-3.3595003162,0.1290677146,0.1290677146,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Dy-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Dy-Nb-O +mp-1519474,Ba2SmSbO6,-7.2766463793,-3.040079427,0.0014060407,-0.0868627142,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sb-Sm,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sb-Sm +mp-6037,Ba2SmSbO6,-7.27805242,-3.0414854678,0.0,-0.0882687549,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Sm +mp-1518167,BaCaSmSbO6,-7.2561791575,-3.0109497113,0.0411734364,0.0411734364,GGA,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Ca-O-Sb-Sm,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Ca-O-Sb-Sm, expected BaCaSmSbO12 to be BaCaSmSbO6" +mp-1517996,BaCaSmSbO6,-7.259007898,-3.0137784518,0.0383446959,0.0383446959,GGA,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Ca-O-Sb-Sm,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Ca-O-Sb-Sm +mp-1518047,BaCaSmSbO6,-7.185557778,-2.9403283318,0.1117948159,0.1117948159,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Sm +mp-1519362,EuHfCrBiO6,-9.106857579,-2.7680716092,0.12564301,0.12564301,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Bi-Cr-Eu-Hf-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Bi-Cr-Eu-Hf-O +mp-1214699,Ba2ErCoCu2O7,-6.72085315,-2.2332207805,0.0403327442,0.0403327442,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Er-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Er-O +mp-21317,BaEr2CoO5,-7.8722132017,-3.105971656,0.0736641391,0.0736641391,GGA+U,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Co-Er-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_62_c_c_4c_c2d:Ba-Co-Er-O, expected BaEr4CoO5 to be BaEr2CoO5" +mp-18746,BaEr2CoO5,-7.9324500767,-3.166208531,0.0134272641,0.0134272641,GGA+U,Immm,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Er-O,9.0,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Er-O +mp-1225055,Er2Co3Cu,-5.9832125583,-0.2232796125,0.0302711412,0.0302711412,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Cu-Er,6.0,A3BC2_hR18_166_d_a_c:Co-Cu-Er +mp-562779,ErCoO3,-7.9621309465,-2.6589103987,0.0,-0.0120969115,GGA+U,Pnma,ABC3_oP20_62_a_c_cd:Co-Er-O,20.0,"Invalid WP multiplicities - ABC3_oP20_62_a_c_3c3d:Co-Er-O, expected ErCoO9 to be ErCoO3" +mp-560057,ZrMo2Se8(Cl7O)2,-4.5990707883,-1.1183602945,0.0659774097,0.0659774097,GGA+U,P2_1/c,A14B2C2D8E_mP54_14_7e_e_e_4e_a:Cl-Mo-O-Se-Zr,54.0,"Invalid WP multiplicities - A14B2C2D8E_mP54_14_26e_e_e_13e_a:Cl-Mo-O-Se-Zr, expected ZrMo2Se26(Cl26O)2 to be ZrMo2Se8(Cl7O)2" +mp-1520536,CaPrZrCrO6,-8.684564139999999,-3.2178255397,0.180310052,0.180310052,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Cr-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Cr-O-Pr-Zr +mp-1522133,BaSrNdSbO6,-7.2271673215,-3.0085923882,0.0,-0.0007936959,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Nd-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Nd-O-Sb-Sr, expected BaSrNdSbO12 to be BaSrNdSbO6" +mp-1522118,BaSrNdSbO6,-7.2221965453,-3.0036216119,0.0049707762,0.0041770804,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nd-O-Sb-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nd-O-Sb-Sr +mp-1521937,BaSrNdSbO6,-7.195121971,-2.9765470377,0.0320453505,0.0312516546,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nd-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nd-O-Sb-Sr +mp-1516795,Sr2NdSbO6,-7.1970254732,-3.0013986886,0.0,-0.0257402124,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Nd-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Nd-O-Sb-Sr +mp-1516994,Sr2NdSbO6,-7.143148162,-2.9475213773,0.0538773112,0.0281370988,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Nd-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Nd-O-Sb-Sr +mp-1522146,BaNaCeNbO6,-8.0863451907,-3.1907425212,0.0710473213,0.0710473213,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Ce-Na-Nb-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Ce-Na-Nb-O, expected BaNa2CeNbO12 to be BaNaCeNbO6" +mp-1521935,BaNaCeNbO6,-8.079833808,-3.1842311384,0.0775587041,0.0775587041,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Na-Nb-O +mp-8960,Ba3NaNbO6,-7.2393048727,-2.9792241981,0.0,-0.0487434616,GGA,R-3c,A3BCD6_hR66_167_e_a_b_f:Ba-Na-Nb-O,22.0,A3BCD6_hR66_167_e_a_b_f:Ba-Na-Nb-O +mp-1199624,Ba2NaNb5O15,-8.7707015422,-3.1242958447,0.0040135028,0.0040135028,GGA,Ama2,A2BC5D15_oC368_40_4b2c_2ac_4b8c_8b26c:Ba-Na-Nb-O,184.0,A2BC5D15_oC368_40_4b2c_2ac_4b8c_8b26c:Ba-Na-Nb-O +mp-41283,BaLaTaMnO6,-8.94372578,-3.1882350565,0.1167831702,0.1167831702,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mn-O-Ta,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mn-O-Ta +mp-1215727,ZnCu4Sn2HgS8,-4.3088151994,-0.6168781181,0.0070311181,0.0070311181,GGA,C2,A4BC8D2E_mC32_5_abc_a_4c_c_b:Cu-Hg-S-Sn-Zn,16.0,"Invalid WP multiplicities - A4BC8D2E_mC32_5_abc_a_6c_c_b:Cu-Hg-S-Sn-Zn, expected ZnCu4Sn2HgS12 to be ZnCu4Sn2HgS8" +mp-1216071,Zn2Cu10Sn5Hg3S20,-4.2828156955,-0.6028294048,0.0043098593,0.0043098593,GGA,C2,A10B3C20D5E2_mC80_5_5c_ac_10c_b2c_c:Cu-Hg-S-Sn-Zn,40.0,"Invalid WP multiplicities - A10B3C20D5E2_mC80_5_10c_a2c_20c_b3c_c:Cu-Hg-S-Sn-Zn, expected Zn2Cu20Sn7(HgS8)5 to be Zn2Cu10Sn5Hg3S20" +mp-556723,Na3Fe2(AsO4)3,-6.6026603787,-1.8903984762,0.0,-0.0446319342,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:As-Fe-Na-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:As-Fe-Na-O +mp-1220973,Na5Fe3Ag2(As2O7)4,-6.3710897629,-1.7304803443,0.0049085381,0.0049085381,GGA+U,C2/c,A2B8C3D5E28_mC184_15_f_4f_ef_e2f_14f:Ag-As-Fe-Na-O,92.0,A2B8C3D5E28_mC184_15_f_4f_ef_e2f_14f:Ag-As-Fe-Na-O +mp-1195747,Na7Fe4(AsO4)6,-6.5126022696,-1.8830168698,0.0149929687,0.0149929687,GGA+U,R-3c,A6B4C7D24_hR246_167_f_ae_bf_4f:As-Fe-Na-O,82.0,A6B4C7D24_hR246_167_f_ae_bf_4f:As-Fe-Na-O +mp-1022063,Mg6CuSb,-2.2821171325,-0.0533811062,0.1377445412,0.1377445412,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Sb, expected Mg12CuSb to be Mg6CuSb" +mp-1022083,Mg6CuSb,-2.2668352294,-0.0380992031,0.1530264443,0.1530264443,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Sb, expected Mg12CuSb to be Mg6CuSb" +mp-2230566,MgCu2(SbO3)4,-6.1908788863,-1.6816703134000002,0.1531416598,0.1531416598,GGA,P2/m,A2BC12D4_mP19_10_ce_b_mn2o_jk:Cu-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_10_bc_e_2m2n8o_i2k:Cu-Mg-O-Sb, expected MgCu2(Sb3O20)2 to be MgCu2(SbO3)4" +mp-2230547,MgCu2(SbO3)4,-6.0817208711,-1.5725122982,0.262299675,0.262299675,GGA,P-4,A2BC12D4_tP19_81_g_a_3h_2g:Cu-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_tP19_81_g_a_6h_3g:Cu-Mg-O-Sb, expected MgCu2(SbO4)6 to be MgCu2(SbO3)4" +mp-1042667,MgCu3(SbO3)4,-6.020862055,-1.5321535772,0.2132043616,0.2132043616,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Sb,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Sb +mp-3522,MgCuSb,-3.61188472,-0.3357220667,0.0,-0.074223996,GGA,F-43m,ABC_cF12_216_c_a_b:Cu-Mg-Sb,3.0,ABC_cF12_216_c_a_b:Cu-Mg-Sb +mp-2218795,Na3MgCu2SbO6,-5.4137531408,-1.7541067732000002,0.0992494012,0.0992494012,GGA,C2/m,A2BC3D6E_mC26_12_e_a_ch_ij_b:Cu-Mg-Na-O-Sb,13.0,"Invalid WP multiplicities - A2BC3D6E_mC26_12_e_d_ag_i2j_c:Cu-Mg-Na-O-Sb, expected Na3MgCu2SbO10 to be Na3MgCu2SbO6" +mp-1040928,MgCu2(SbO4)2,-6.0501452742,-1.6170525388,0.2157935388,0.2157935388,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-Sb,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-Sb, expected MgCu6Sb5O26 to be MgCu2(SbO4)2" +mp-1372341,Mg2CuSbO6,-6.1501633965,-2.0392733687,0.1045232416,0.1045232416,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Cu-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Cu-Mg-O-Sb, expected Mg2CuSbO16 to be Mg2CuSbO6" +mp-1026892,Mg14CuSb,-1.9343718225,-0.0198637844,0.0871279462,0.0871279462,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Sb, expected Mg18CuSb to be Mg14CuSb" +mp-1026894,Mg14CuSb,-1.9410576181,-0.02654958,0.0804421506,0.0804421506,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Sb, expected Mg26CuSb to be Mg14CuSb" +mp-1041592,MgCuSb2O7,-6.1898650848,-1.7731096141,0.2214482797,0.2214482797,GGA,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Cu-Mg-O-Sb,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Cu-Mg-O-Sb, expected Mg4Cu4(Sb3O13)3 to be MgCuSb2O7" +mp-1227538,CaZrNbFeO7,-8.8587092075,-3.0631230494,0.0145018076,0.0145018076,GGA+U,P-1,ABCD7E_aP44_2_2i_2i_2i_14i_2i:Ca-Fe-Nb-O-Zr,44.0,"Invalid WP multiplicities - ABCD7E_aP44_2_4i_2i_4i_28i_4i:Ca-Fe-Nb-O-Zr, expected Ca2Zr2Nb2FeO14 to be CaZrNbFeO7" +mp-1227280,CaZrNbFeO7,-8.8502592377,-3.0546730797,0.0229517774,0.0229517774,GGA+U,Cc,ABCD7E_mC88_9_2a_2a_2a_14a_2a:Ca-Fe-Nb-O-Zr,44.0,"Invalid WP multiplicities - ABCD7E_mC88_9_3a_2a_2a_21a_3a:Ca-Fe-Nb-O-Zr, expected Ca3Zr3Nb2Fe2O21 to be CaZrNbFeO7" +mp-1215290,ZrNbFe4,-8.937255735,-0.1824073167,0.025331385,0.025331385,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Nb-Zr,12.0,A4BC_hP12_164_abi_d_d:Fe-Nb-Zr +mp-1215224,ZrNbFe4,-8.942615705,-0.1877672867,0.019971415,0.019971415,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Nb-Zr,6.0,A4BC_cF24_216_e_a_c:Fe-Nb-Zr +mp-821906,Sr7PrFe4(MoO6)4,-6.4690561628,-1.1542918058,1.4167846556,1.4167846556,GGA+U,P1,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr,40.0,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr +mp-698609,Sr7PrFe4(MoO6)4,-7.8797903643,-2.5650260073,0.0060504541,0.0060504541,GGA+U,P1,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr,40.0,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr +mp-1354576,Sr7PrFe4(MoO6)4,-7.557837108,-2.243072751,0.3280037103,0.3280037103,GGA+U,P1,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr,40.0,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Pr-Sr +mp-756619,SrLiLa7Fe3O16,-8.215569375,-3.1188711941,0.0740089631,0.0740089631,GGA+U,P4mm,A3B7CD16E_tP28_99_ac_a2b2c_b_2a2b2c2d_a:Fe-La-Li-O-Sr,28.0,"Invalid WP multiplicities - A3B7CD16E_tP28_99_a2c_a2b4c_b_2a2b4c4d_a:Fe-La-Li-O-Sr, expected SrLiLa11Fe5O28 to be SrLiLa7Fe3O16" +mp-766044,SrLiLa3FeO8,-7.8426718579,-3.0962455339,0.0104963637,0.0104963637,GGA+U,Amm2,AB3CD8E_oC28_38_a_a2b_b_2a2bf_a:Fe-La-Li-O-Sr,14.0,AB3CD8E_oC28_38_a_a2b_b_2a2bf_a:Fe-La-Li-O-Sr +mp-1517075,SrEuTiSnO6,-8.406921778,-3.0537526388,0.0483555182,0.0483555182,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sn-Sr-Ti,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sn-Sr-Ti +mp-1228048,Ba4Ta2TiZnO12,-8.2630887335,-3.2677409744,0.0190900445,0.0190900445,GGA,P4/mmm,A4B12C2DE_tP20_123_i_ghjk_ad_b_c:Ba-O-Ta-Ti-Zn,20.0,"Invalid WP multiplicities - A4B12C2DE_tP20_123_i_2g2h2j2k_ad_b_c:Ba-O-Ta-Ti-Zn, expected Ba4Ta2TiZnO24 to be Ba4Ta2TiZnO12" +mp-676665,Ba4Ta2TiZnO12,-8.2731812127,-3.2778334537,0.0089975652,0.0089975652,GGA,I4_1/amd,A4B12C2DE_tI80_141_f_2e2h_e_a_b:Ba-O-Ta-Ti-Zn,40.0,"Invalid WP multiplicities - A4B12C2DE_tI80_141_f_5e10h_e_a_b:Ba-O-Ta-Ti-Zn, expected Ba4Ta2TiZnO50 to be Ba4Ta2TiZnO12" +mp-773084,Ba6Li2Ti7Nb9O42,-8.8634005118,-3.2683579251,0.0084659518,0.0084659518,GGA,Cm,A6B2C9D42E7_mC132_8_2a2b_2a_a4b_6a18b_3a2b:Ba-Li-Nb-O-Ti,66.0,"Invalid WP multiplicities - A6B2C9D42E7_mC132_8_2a3b_2a_a7b_6a36b_3a3b:Ba-Li-Nb-O-Ti, expected Ba8Li2Ti9Nb15O78 to be Ba6Li2Ti7Nb9O42" +mp-686745,Ba3LiTi5Nb3O21,-8.8339100986,-3.3391317403,0.0116843317,0.0116843317,GGA,P1,A3BC3D21E5_aP66_1_6a_2a_6a_42a_10a:Ba-Li-Nb-O-Ti,66.0,A3BC3D21E5_aP66_1_6a_2a_6a_42a_10a:Ba-Li-Nb-O-Ti +mp-766208,Ba3LiTi5Nb3O21,-8.8389444026,-3.3441660442,0.0066500278,0.0066500278,GGA,Cmc2_1,A3BC3D21E5_oC132_36_ab_a_ab_3a9b_a2b:Ba-Li-Nb-O-Ti,66.0,"Invalid WP multiplicities - A3BC3D21E5_oC132_36_ab_a_2a2b_6a34b_2a7b:Ba-Li-Nb-O-Ti, expected Ba3LiTi16Nb6O74 to be Ba3LiTi5Nb3O21" +mp-558318,Rb2TbGa(SiO3)4,-7.6768635451,-3.142610199,0.0,-0.0527531461,GGA,C2/c,AB12C2D4E_mC160_15_f_12f_2f_4f_f:Ga-O-Rb-Si-Tb,80.0,"Invalid WP multiplicities - AB12C2D4E_mC160_15_f_47f_5f_10f_f:Ga-O-Rb-Si-Tb, expected Rb5TbGaSi10O47 to be Rb2TbGa(SiO3)4" +mp-1184393,Gd2IrRu,-12.09066796,-0.52439766,0.0,-0.2347033053,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Ir-Ru +mp-1228796,Ba3GdIrRuO9,-8.0647562223,-2.5670174103,0.0,-0.0131211131,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_a_b_3c_b:Ba-Gd-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_a_b_5c_b:Ba-Gd-Ir-O-Ru, expected Ba5GdIrRuO15 to be Ba3GdIrRuO9" +mp-2646935,Ba2GdRuO6,-8.505765741,-2.8189050483,0.0,-0.0785743577,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Gd-O-Ru,20.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Gd-O-Ru +mp-752479,Li5Mn3Cr2O10,-7.5142713045,-2.2240891914,0.0359176753,0.0359176753,GGA+U,P1,A2B5C3D10_aP20_1_2a_5a_3a_10a:Cr-Li-Mn-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Cr-Li-Mn-O, expected Li9Mn3Cr2O18 to be Li5Mn3Cr2O10" +mp-777960,Li32Mn11Cr5O48,-6.8581785549,-2.1959494358,0.0243272164,0.0243272164,GGA+U,P1,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O,96.0,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O +mp-777734,Li32Mn11Cr5O48,-6.8584550339,-2.1962259147,0.0240507374,0.0240507374,GGA+U,P1,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O,96.0,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O +mp-1177783,Li32Mn11Cr5O48,-6.846112094,-2.1838829748,0.0363936773,0.0363936773,GGA+U,P1,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O,96.0,A5B32C11D48_aP96_1_5a_32a_11a_48a:Cr-Li-Mn-O +mp-778090,Li32Mn11Cr5O48,-6.8558970327,-2.1936679136,0.0266087386,0.0266087386,GGA+U,C2,A5B32C11D48_mC192_5_a2c_ab15c_a2b4c_24c:Cr-Li-Mn-O,96.0,"Invalid WP multiplicities - A5B32C11D48_mC192_5_a4c_ab28c_a2b8c_48c:Cr-Li-Mn-O, expected Li58Mn19Cr9O96 to be Li32Mn11Cr5O48" +mp-1177917,Li32Mn11Cr5O48,-6.8582737486,-2.1960446295,0.0242320227,0.0242320227,GGA+U,C2,A5B32C11D48_mC192_5_a2c_ab15c_a2b4c_24c:Cr-Li-Mn-O,96.0,"Invalid WP multiplicities - A5B32C11D48_mC192_5_a4c_ab28c_a2b8c_48c:Cr-Li-Mn-O, expected Li58Mn19Cr9O96 to be Li32Mn11Cr5O48" +mp-756602,Li3Mn4CrO8,-7.8634499194,-2.1383632364,0.039168105,0.039168105,GGA+U,C2/m,AB3C4D8_mC32_12_a_de_bcf_2ij:Cr-Li-Mn-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_c2f_bde_3i2j:Cr-Li-Mn-O, expected Li5Mn4CrO14 to be Li3Mn4CrO8" +mp-775158,Li8Mn13Cr3O32,-7.8718714413,-2.1284649609,0.0,-6.60841e-05,GGA+U,C2/m,A3B8C13D32_mC112_12_ah_2ij_bfi2j_4i6j:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B8C13D32_mC112_12_ah_4ij_bei5j_8i15j:Cr-Li-Mn-O, expected Li12Mn25Cr3O76 to be Li8Mn13Cr3O32" +mp-1177394,Li4Mn3CrO8,-7.4751590481,-2.2033906417,0.0193034416,0.0193034416,GGA+U,C2/m,AB4C3D8_mC32_12_a_cde_bf_2ij:Cr-Li-Mn-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_cd2f_b2e_4i3j:Cr-Li-Mn-O, expected Li6Mn5CrO20 to be Li4Mn3CrO8" +mp-774249,Li3MnCr2O6,-7.6266601542,-2.3037425625,0.0225981413,0.0225981413,GGA+U,C2/m,A2B3CD6_mC24_12_i_ai_c_3i:Cr-Li-Mn-O,24.0,A2B3CD6_mC24_12_i_ai_d_3i:Cr-Li-Mn-O +mp-735790,Li14Mn22Cr3Cu3O56,-7.5784002183,-2.0012513733,0.1682404018,0.1682404018,GGA+U,Cm,A3B3C14D22E56_mC196_8_3a_3a_14a_8a7b_28a14b:Cr-Cu-Li-Mn-O,98.0,"Invalid WP multiplicities - A3B3C14D22E56_mC196_8_3a_3a_14a_8a12b_28a27b:Cr-Cu-Li-Mn-O, expected Li14Mn32Cr3Cu3O82 to be Li14Mn22Cr3Cu3O56" +mp-770946,Li5Mn5Cr2O12,-7.7555622387,-2.1713518109,0.0419631019,0.0419631019,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Cr-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a4c_a2bc_6c:Cr-Li-Mn-O, expected Li9Mn5Cr2O12 to be Li5Mn5Cr2O12" +mp-755519,Li3MnCr3O8,-7.8273963467,-2.2659672805,0.058551858,0.058551858,GGA+U,C2/m,A3B3CD8_mC30_12_ae_cf_b_2ij:Cr-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_bf_ce_a_3i2j:Cr-Li-Mn-O, expected Li3MnCr3O14 to be Li3MnCr3O8" +mp-1177618,Li3MnCr3O8,-7.868801914,-2.3073728479,0.0171462907,0.0171462907,GGA+U,R-3m,A3B3CD8_hR45_166_e_d_a_ch:Cr-Li-Mn-O,15.0,"Invalid WP multiplicities - A3B3CD8_hR45_166_e_d_a_2c2h:Cr-Li-Mn-O, expected Li3MnCr3O16 to be Li3MnCr3O8" +mp-772050,Li4Mn5Cr3O16,-7.906116185,-2.1364044094,0.0515864101,0.0515864101,GGA+U,Cm,A3B4C5D16_mC56_8_ab_4a_3ab_8a4b:Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B4C5D16_mC56_8_ab_4a_3ab_8a6b:Cr-Li-Mn-O, expected Li4Mn5Cr3O20 to be Li4Mn5Cr3O16" +mp-756944,Li4MnCr3O8,-7.6635012175,-2.3303537888,0.0167162391,0.0167162391,GGA+U,C2/m,A3B4CD8_mC32_12_af_cde_b_2ij:Cr-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_ae_cdf_b_4i2j:Cr-Li-Mn-O, expected Li4MnCr3O16 to be Li4MnCr3O8" +mp-770492,Li24Mn11CrO36,-6.828167269,-2.1846928511,0.0065967658,0.0065967658,GGA+U,P1,AB24C11D36_aP72_1_a_24a_11a_36a:Cr-Li-Mn-O,72.0,AB24C11D36_aP72_1_a_24a_11a_36a:Cr-Li-Mn-O +mp-770619,Li24Mn11CrO36,-6.8268824111,-2.1834079932,0.0078816237,0.0078816237,GGA+U,C2,AB24C11D36_mC144_5_a_ab11c_a2b4c_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - AB24C11D36_mC144_5_a_ab22c_a2b8c_36c:Cr-Li-Mn-O, expected Li46Mn19CrO72 to be Li24Mn11CrO36" +mp-770668,Li24Mn11CrO36,-6.8281583926,-2.1846839748,0.0066056422,0.0066056422,GGA+U,C2,AB24C11D36_mC144_5_a_ab11c_a2b4c_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - AB24C11D36_mC144_5_a_ab21c_a2b8c_36c:Cr-Li-Mn-O, expected Li44Mn19CrO72 to be Li24Mn11CrO36" +mp-770669,Li24Mn11CrO36,-6.8278572047,-2.1843827868,0.0069068301,0.0069068301,GGA+U,C2,AB24C11D36_mC144_5_a_ab11c_a2b4c_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - AB24C11D36_mC144_5_a_ab22c_a2b8c_36c:Cr-Li-Mn-O, expected Li46Mn19CrO72 to be Li24Mn11CrO36" +mp-770622,Li24Mn11CrO36,-6.8276474579,-2.18417304,0.0071165769,0.0071165769,GGA+U,C2,AB24C11D36_mC144_5_a_3a3b9c_5a6b_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - AB24C11D36_mC144_5_a_3a3b16c_5a6b_32c:Cr-Li-Mn-O, expected Li38Mn11CrO64 to be Li24Mn11CrO36" +mp-867667,Li4Mn3Cr2Cu3O16,-6.9467030243,-1.7369718931,0.3943594484,0.3943594484,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Cr-Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Cr-Cu-Li-Mn-O, expected Li4Mn3Cr2Cu3O20 to be Li4Mn3Cr2Cu3O16" +mp-775291,Li2Mn2Cr3O12,-7.7670618553,-1.9533101046,0.0345288443,0.0345288443,GGA+U,Pbcn,A3B2C2D12_oP76_60_cd_d_d_6d:Cr-Li-Mn-O,76.0,"Invalid WP multiplicities - A3B2C2D12_oP76_60_2c2d_d_d_21d:Cr-Li-Mn-O, expected LiMnCr3O21 to be Li2Mn2Cr3O12" +mp-757000,Li4Mn3Cr3(CuO8)2,-7.3057923182,-1.8977097299,0.5441526216,0.5441526216,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Cr-Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Cr-Cu-Li-Mn-O, expected Li4Mn3Cr3(CuO10)2 to be Li4Mn3Cr3(CuO8)2" +mp-770985,Li24MnCr11O36,-6.9396602353,-2.2279869038,0.0268036443,0.0268036443,GGA+U,P1,A11B24CD36_aP72_1_11a_24a_a_36a:Cr-Li-Mn-O,72.0,A11B24CD36_aP72_1_11a_24a_a_36a:Cr-Li-Mn-O +mp-770667,Li24MnCr11O36,-6.9406657838,-2.2289924523,0.0257980958,0.0257980958,GGA+U,C2,A11B24CD36_mC144_5_a2b4c_ab11c_a_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - A11B24CD36_mC144_5_a2b8c_ab21c_a_36c:Cr-Li-Mn-O, expected Li44MnCr19O72 to be Li24MnCr11O36" +mp-770973,Li24MnCr11O36,-6.9361688667,-2.2244955352,0.0302950129,0.0302950129,GGA+U,C2,A11B24CD36_mC144_5_a2b4c_ab11c_a_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - A11B24CD36_mC144_5_a2b8c_ab22c_a_36c:Cr-Li-Mn-O, expected Li46MnCr19O72 to be Li24MnCr11O36" +mp-1178077,Li24MnCr11O36,-6.9426879344,-2.231014603,0.0237759451,0.0237759451,GGA+U,C2,A11B24CD36_mC144_5_a2b4c_ab11c_a_18c:Cr-Li-Mn-O,72.0,"Invalid WP multiplicities - A11B24CD36_mC144_5_a2b8c_ab22c_a_36c:Cr-Li-Mn-O, expected Li46MnCr19O72 to be Li24MnCr11O36" +mp-850956,Li2Mn3Cr3O12,-8.0438779505,-2.0627130228,0.0749433639,0.0749433639,GGA+U,P2/m,A3B2C3D12_mP20_10_bi_ch_dj_mn2o:Cr-Li-Mn-O,20.0,"Invalid WP multiplicities - A3B2C3D12_mP20_10_ai_ch_ej_2m2n4o:Cr-Li-Mn-O, expected Li2Mn3Cr3O24 to be Li2Mn3Cr3O12" +mp-771148,Li4Mn3Cr5O16,-8.0070740343,-2.2022885317,0.039105034,0.039105034,GGA+U,Cm,A5B4C3D16_mC56_8_3ab_4a_ab_8a4b:Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A5B4C3D16_mC56_8_3a2b_4a_ab_8a6b:Cr-Li-Mn-O, expected Li4Mn3Cr7O20 to be Li4Mn3Cr5O16" +mp-753261,Li5MnCr3O8,-7.3487707212,-2.2170482667,0.0813183248,0.0813183248,GGA+U,R-3m,A3B5CD8_hR51_166_d_ce_a_ch:Cr-Li-Mn-O,34.0,A3B5CD8_hR51_166_d_ce_a_ch:Cr-Li-Mn-O +mp-761082,Li5MnCr3O8,-7.3693670657,-2.2376446113,0.0607219802,0.0607219802,GGA+U,P4_32_12,A3B5CD8_tP68_96_ab_a2b_a_4b:Cr-Li-Mn-O,68.0,"Invalid WP multiplicities - A3B5CD8_tP68_96_3a3b_4a9b_a_29b:Cr-Li-Mn-O, expected Li22MnCr9O58 to be Li5MnCr3O8" +mp-760296,Li5MnCr3O8,-7.3673498118,-2.2356273573,0.0627392342,0.0627392342,GGA+U,P6_3mc,A3B5CD8_hP34_186_c_abc_b_ab2c:Cr-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B5CD8_hP34_186_c_2a2b5c_b_2a2b7c:Cr-Li-Mn-O, expected Li19MnCr3O25 to be Li5MnCr3O8" +mp-850919,Li2MnCr2O6,-7.8705979106,-2.2373171622,0.0563878448,0.0563878448,GGA+U,C2/m,A2B2CD6_mC66_12_ij_hj_ag_3i3j:Cr-Li-Mn-O,33.0,"Invalid WP multiplicities - A2B2CD6_mC66_12_2i2j_hj_a2g_6i8j:Cr-Li-Mn-O, expected Li6Mn5Cr12O44 to be Li2MnCr2O6" +mp-755886,Li2MnCr2O6,-7.8295997045,-2.1963189561,0.0973860509,0.0973860509,GGA+U,Cmce,A2B2CD6_oC44_64_d_e_a_fg:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B2CD6_oC44_64_d_e_a_2f3g:Cr-Li-Mn-O, expected Li2MnCr2O16 to be Li2MnCr2O6" +mp-777884,Li32Mn13Cr3O48,-6.8419972048,-2.1899979227,0.0144676193,0.0144676193,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-777838,Li32Mn13Cr3O48,-6.8419823637,-2.1899830817,0.0144824604,0.0144824604,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-777770,Li32Mn13Cr3O48,-6.8419115431,-2.189912261,0.014553281,0.014553281,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-778189,Li32Mn13Cr3O48,-6.8418598577,-2.1898605756,0.0146049664,0.0146049664,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-777750,Li32Mn13Cr3O48,-6.8418390474,-2.1898397653,0.0146257767,0.0146257767,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-778110,Li32Mn13Cr3O48,-6.8415679448,-2.1895686627,0.0148968793,0.0148968793,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-778088,Li32Mn13Cr3O48,-6.8417432103,-2.1897439282,0.0147216138,0.0147216138,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-1177747,Li32Mn13Cr3O48,-6.8417704516,-2.1897711695,0.0146943726,0.0146943726,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-1177789,Li32Mn13Cr3O48,-6.841884956,-2.189885674,0.0145798681,0.0145798681,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-777837,Li32Mn13Cr3O48,-6.8416427351,-2.189643453,0.014822089,0.014822089,GGA+U,P1,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O,96.0,A3B32C13D48_aP96_1_3a_32a_13a_48a:Cr-Li-Mn-O +mp-780441,Li24Mn7Cr5O36,-6.8719646538,-2.2012106704,0.0322419069,0.0322419069,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-777643,Li24Mn7Cr5O36,-6.8725897264,-2.2018357431,0.0316168342,0.0316168342,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-777641,Li24Mn7Cr5O36,-6.8729842567,-2.2022302733,0.031222304,0.031222304,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768925,Li24Mn7Cr5O36,-6.8681100071,-2.1973560238,0.0360965535,0.0360965535,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-770232,Li24Mn7Cr5O36,-6.8723409443,-2.201586961,0.0318656163,0.0318656163,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768724,Li24Mn7Cr5O36,-6.872155875,-2.2014018917,0.0320506856,0.0320506856,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768759,Li24Mn7Cr5O36,-6.8707661075,-2.2000121242,0.0334404531,0.0334404531,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-769012,Li24Mn7Cr5O36,-6.8724700317,-2.2017160483,0.031736529,0.031736529,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768929,Li24Mn7Cr5O36,-6.8721328528,-2.2013788695,0.0320737078,0.0320737078,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768841,Li24Mn7Cr5O36,-6.8719510657,-2.2011970824,0.0322554949,0.0322554949,GGA+U,P1,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O,72.0,A5B24C7D36_aP72_1_5a_24a_7a_36a:Cr-Li-Mn-O +mp-768594,Li4MnCrO6,-6.8838629065,-2.2062890318,0.0377042856,0.0125604037,GGA+U,P1,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O,48.0,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O +mp-768620,Li4MnCrO6,-6.8837021117,-2.206128237,0.0378650804,0.0127211985,GGA+U,P1,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O,48.0,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O +mp-768647,Li4MnCrO6,-6.8827452652000005,-2.2051713905,0.0388219269,0.013678045,GGA+U,P1,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O,48.0,AB4CD6_aP48_1_4a_16a_4a_24a:Cr-Li-Mn-O +mp-768649,Li4MnCrO6,-6.8833231054,-2.2057492307,0.0382440867,0.0131002048,GGA+U,C2,AB4CD6_mC96_5_abc_ab7c_abc_12c:Cr-Li-Mn-O,48.0,"Invalid WP multiplicities - AB4CD6_mC96_5_abc_ab14c_abc_22c:Cr-Li-Mn-O, expected Li15Mn2Cr2O22 to be Li4MnCrO6" +mp-1177331,Li4MnCrO6,-6.8834085425,-2.2058346678,0.0381586496,0.0130147677,GGA+U,C2,AB4CD6_mC24_5_a_a3b_a_3c:Cr-Li-Mn-O,12.0,AB4CD6_mC24_5_a_a3b_a_3c:Cr-Li-Mn-O +mp-768712,Li4MnCrO6,-6.9215671921,-2.2439933174,0.0,-0.0251438819,GGA+U,C2/c,AB4CD6_mC48_15_e_cef_e_3f:Cr-Li-Mn-O,24.0,AB4CD6_mC48_15_e_cef_e_3f:Cr-Li-Mn-O +mp-1177991,Li32Mn5Cr11O48,-6.9071975417,-2.2142789114,0.0345731598,0.0345731598,GGA+U,P1,A11B32C5D48_aP96_1_11a_32a_5a_48a:Cr-Li-Mn-O,96.0,A11B32C5D48_aP96_1_11a_32a_5a_48a:Cr-Li-Mn-O +mp-781106,Li32Mn5Cr11O48,-6.8927690473,-2.199850417,0.0490016542,0.0490016542,GGA+U,C2,A11B32C5D48_mC192_5_a2b4c_ab15c_a2c_24c:Cr-Li-Mn-O,96.0,"Invalid WP multiplicities - A11B32C5D48_mC192_5_a2b8c_ab28c_a4c_48c:Cr-Li-Mn-O, expected Li58Mn9Cr19O96 to be Li32Mn5Cr11O48" +mp-777689,Li32Mn5Cr11O48,-6.8951546351,-2.2022360049,0.0466160664,0.0466160664,GGA+U,C2,A11B32C5D48_mC192_5_a2b4c_ab15c_a2c_24c:Cr-Li-Mn-O,96.0,"Invalid WP multiplicities - A11B32C5D48_mC192_5_a2b8c_ab28c_a4c_48c:Cr-Li-Mn-O, expected Li58Mn9Cr19O96 to be Li32Mn5Cr11O48" +mp-778376,Li32Mn5Cr11O48,-6.9088029803,-2.2158843501,0.0329677211,0.0329677211,GGA+U,C2,A11B32C5D48_mC192_5_a2b4c_ab15c_a2c_24c:Cr-Li-Mn-O,96.0,"Invalid WP multiplicities - A11B32C5D48_mC192_5_a2b8c_ab28c_a4c_48c:Cr-Li-Mn-O, expected Li58Mn9Cr19O96 to be Li32Mn5Cr11O48" +mp-768905,Li24Mn5Cr7O36,-6.8947076756,-2.2103139095,0.035838854,0.035838854,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-777958,Li24Mn5Cr7O36,-6.8941295094,-2.2097357434,0.0364170201,0.0364170201,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-778112,Li24Mn5Cr7O36,-6.8950935783,-2.2106998123,0.0354529512,0.0354529512,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768825,Li24Mn5Cr7O36,-6.8944742332,-2.2100804671,0.0360722964,0.0360722964,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768726,Li24Mn5Cr7O36,-6.8946270915,-2.2102333255,0.0359194381,0.0359194381,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768843,Li24Mn5Cr7O36,-6.8944548044000005,-2.2100610384,0.0360917251,0.0360917251,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768784,Li24Mn5Cr7O36,-6.8947740794,-2.2103803134,0.0357724501,0.0357724501,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768842,Li24Mn5Cr7O36,-6.895191349,-2.210797583,0.0353551806,0.0353551806,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-768924,Li24Mn5Cr7O36,-6.8947514013,-2.2103576352,0.0357951283,0.0357951283,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-769037,Li24Mn5Cr7O36,-6.8942915893,-2.2098978233,0.0362549403,0.0362549403,GGA+U,P1,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O,72.0,A7B24C5D36_aP72_1_7a_24a_5a_36a:Cr-Li-Mn-O +mp-850972,Li4Mn5Cr2O12,-7.897740883,-2.1537353438,0.06072308,0.06072308,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Cr-Li-Mn-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Cr-Li-Mn-O, expected Li8Mn10Cr3O24 to be Li4Mn5Cr2O12" +mp-769505,Li7Mn10Cr6O32,-7.9932798789,-2.1533719413,0.0089650488,0.0089650488,GGA+U,P1,A6B7C10D32_aP55_1_6a_7a_10a_32a:Cr-Li-Mn-O,55.0,A6B7C10D32_aP55_1_6a_7a_10a_32a:Cr-Li-Mn-O +mp-774897,Li3Mn2CrO6,-7.4972399829,-2.2152417394,0.0281816679,0.0281816679,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Cr-Li-Mn-O,24.0,AB3C2D6_mC24_12_a_di_i_3i:Cr-Li-Mn-O +mp-754877,Li4Mn3Cr3O12,-7.8163852759,-2.2054241719,0.0434765945,0.0434765945,GGA+U,P2/m,A3B4C3D12_mP22_10_ai_kl_ej_mn2o:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - A3B4C3D12_mP22_10_a2i_kl_ej_2m2n6o:Cr-Li-Mn-O, expected Li4Mn3Cr5O32 to be Li4Mn3Cr3O12" +mp-780881,Li4Mn3Cr3O12,-7.7724732714,-2.1615121674,0.0873885991,0.0873885991,GGA+U,F222,A3B4C3D12_oF88_22_ae_ej_cj_fi2k:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - A3B4C3D12_oF88_22_ae_ej_cj_2f2i7k:Cr-Li-Mn-O, expected Li4Mn3Cr3O36 to be Li4Mn3Cr3O12" +mp-755722,Li2Mn3CrO8,-6.9127928364,-1.1606179243,0.9876889894,0.9876889894,GGA+U,P-1,AB2C3D8_aP14_2_a_bh_cde_4i:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_aP14_2_a_bh_cde_7i:Cr-Li-Mn-O, expected Li2Mn3CrO14 to be Li2Mn3CrO8" +mp-1405125,Li2Mn3CrO8,-4.3005625436,1.4516123685,3.5999192823,3.5999192823,GGA+U,P-1,AB2C3D8_aP14_2_c_bh_ade_4i:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_aP14_2_c_bh_ade_7i:Cr-Li-Mn-O, expected Li2Mn3CrO14 to be Li2Mn3CrO8" +mp-775679,Li2Mn3CrO8,-7.896289003,-2.1441140909,0.0041928228,0.0041928228,GGA+U,P4_32_12,AB2C3D8_tP56_96_a_b_ab_4b:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_tP56_96_a_b_4a5b_25b:Cr-Li-Mn-O, expected Li2Mn14CrO50 to be Li2Mn3CrO8" +mp-768844,Li2Mn3CrO8,-7.8831807236,-2.1310058115,0.0173011023,0.0173011023,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2c2h:Cr-Li-Mn-O, expected Li2Mn3CrO16 to be Li2Mn3CrO8" +mp-752417,Li2Mn3CrO8,-7.8448365107,-2.0926615986,0.0556453151,0.0556453151,GGA+U,P6_3mc,AB2C3D8_hP28_186_b_ab_c_ab2c:Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_hP28_186_b_a2b_c_a2b9c:Cr-Li-Mn-O, expected Li3Mn3CrO30 to be Li2Mn3CrO8" +mp-774820,Li2Mn3CrO8,-7.8580614389,-2.1058865268,0.0424203869,0.0424203869,GGA+U,P4_332,AB2C3D8_cP56_212_a_c_d_ce:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - AB2C3D8_cP56_212_a_c_d_8c9e:Cr-Li-Mn-O, expected Li2Mn3CrO70 to be Li2Mn3CrO8" +mp-850948,LiMnCr2O6,-8.090084381,-2.0843678444,0.0895691805,0.0895691805,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Cr-Li-Mn-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Cr-Li-Mn-O +mp-754440,Li4MnCr5O12,-7.8703013236,-2.2147009307,0.0964644187,0.0964644187,GGA+U,C2/m,A5B4CD12_mC44_12_agh_j_d_2i2j:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - A5B4CD12_mC44_12_a2gh_j_c_4i5j:Cr-Li-Mn-O, expected Li4MnCr7O28 to be Li4MnCr5O12" +mp-770856,Li2MnCrO4,-7.5634838353,-2.2610259178,0.0238561378,0.0238561378,GGA+U,P-1,AB2CD4_aP64_2_acdh2i_8i_befg2i_16i:Cr-Li-Mn-O,64.0,"Invalid WP multiplicities - AB2CD4_aP64_2_acdh3i_15i_befg3i_30i:Cr-Li-Mn-O, expected Li3MnCrO6 to be Li2MnCrO4" +mp-1288012,Li2MnCrO4,-7.5555938725,-2.2531359549,0.0317461006,0.0317461006,GGA+U,Cm,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Mn-O,16.0,AB2CD4_mC32_8_2a_4a_2a_8a:Cr-Li-Mn-O +mp-1101152,Li2MnCrO4,-7.5635489331,-2.2610910156,0.02379104,0.02379104,GGA+U,P2/m,AB2CD4_mP8_10_b_dh_c_mn:Cr-Li-Mn-O,16.0,AB2CD4_mP8_10_b_eg_c_mn:Cr-Li-Mn-O +mp-755443,Li2MnCrO4,-7.5752466862,-2.2727887687,0.0120932869,0.0120932869,GGA+U,C2/c,AB2CD4_mC32_15_a_bc_d_2f:Cr-Li-Mn-O,16.0,AB2CD4_mC32_15_c_ad_b_2f:Cr-Li-Mn-O +mp-1275319,Li2MnCrO4,-7.5654271369,-2.2629692193,0.0219128362,0.0219128362,GGA+U,C222_1,AB2CD4_oC32_20_b_ab_a_2ac:Cr-Li-Mn-O,16.0,"Invalid WP multiplicities - AB2CD4_oC32_20_b_ab_a_4ac:Cr-Li-Mn-O, expected Li2MnCrO6 to be Li2MnCrO4" +mp-754641,Li2MnCrO4,-7.5526449862,-2.2501870687,0.0346949869,0.0346949869,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Cr-Li-Mn-O,8.0,"Invalid WP multiplicities - AB2CD4_tI16_119_a_bc_d_2e2f:Cr-Li-Mn-O, expected Li2MnCrO8 to be Li2MnCrO4" +mp-850947,Li3Mn5Cr2O12,-8.0280102664,-2.1096827875,0.0833126019,0.0833126019,GGA+U,C2,A2B3C5D12_mC44_5_ab_ac_a2bc_6c:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B3C5D12_mC44_5_ab_ac_a2bc_11c:Cr-Li-Mn-O, expected Li3Mn5Cr2O22 to be Li3Mn5Cr2O12" +mp-764036,Li3Mn3CrO8,-7.600346121,-2.1043880119,0.0879252314,0.0879252314,GGA+U,Cc,AB3C3D8_mC60_9_a_3a_3a_8a:Cr-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_mC60_9_a_5a_5a_14a:Cr-Li-Mn-O, expected Li5Mn5CrO14 to be Li3Mn3CrO8" +mp-1177699,Li3Mn3CrO8,-7.61691617,-2.1209580609,0.0713551824,0.0713551824,GGA+U,C2/m,AB3C3D8_mC30_12_a_cf_be_2ij:Cr-Li-Mn-O,15.0,"Invalid WP multiplicities - AB3C3D8_mC30_12_a_ce_bf_4i3j:Cr-Li-Mn-O, expected Li3Mn3CrO20 to be Li3Mn3CrO8" +mp-760982,Li3Mn3CrO8,-7.528293414,-2.0323353049,0.1599779384,0.1599779384,GGA+U,Cmc2_1,AB3C3D8_oC60_36_a_ab_ab_4a2b:Cr-Li-Mn-O,30.0,"Invalid WP multiplicities - AB3C3D8_oC60_36_a_a2b_a2b_6a7b:Cr-Li-Mn-O, expected Li5Mn5CrO20 to be Li3Mn3CrO8" +mp-756884,Li3Mn2Cr2O8,-7.7262322447,-2.1975386571,0.0612675953,0.0612675953,GGA+U,P-1,A2B3C2D8_aP15_2_bd_cef_ag_4i:Cr-Li-Mn-O,15.0,"Invalid WP multiplicities - A2B3C2D8_aP15_2_bd_cef_ag_7i:Cr-Li-Mn-O, expected Li3Mn2Cr2O14 to be Li3Mn2Cr2O8" +mp-780408,Li3Mn2Cr2O8,-7.7281178022,-2.1994242146,0.0593820378,0.0593820378,GGA+U,P-1,A2B3C2D8_aP60_2_acdh2i_6i_befg2i_16i:Cr-Li-Mn-O,60.0,"Invalid WP multiplicities - A2B3C2D8_aP60_2_acdh4i_10i_befg4i_28i:Cr-Li-Mn-O, expected Li5Mn3Cr3O14 to be Li3Mn2Cr2O8" +mp-780849,LiMn2Cr2O8,-8.0944971929,-2.0089158021,0.0802691715,0.0802691715,GGA+U,P1,A2BC2D8_aP52_1_8a_4a_8a_32a:Cr-Li-Mn-O,52.0,A2BC2D8_aP52_1_8a_4a_8a_32a:Cr-Li-Mn-O +mp-780798,LiMn2Cr2O8,-8.0756946454,-1.9901132546,0.099071719,0.099071719,GGA+U,P-1,A2BC2D8_aP13_2_bc_h_ad_4i:Cr-Li-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_aP13_2_bc_h_ad_7i:Cr-Li-Mn-O, expected LiMn2Cr2O14 to be LiMn2Cr2O8" +mp-1176640,LiMnCrO4,-8.0149233643,-2.2276747252,0.0,-0.0304253856,GGA+U,Imma,ABCD4_oI28_74_a_e_c_hi:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_e_c_2hi:Cr-Li-Mn-O, expected LiMnCrO6 to be LiMnCrO4" +mp-1222520,Li5Mn2CrO8,-7.0083679981,-2.1899178683,0.0479582894,0.0479582894,GGA+U,C2/m,AB5C2D8_mC32_12_a_bcdf_e_2ij:Cr-Li-Mn-O,32.0,AB5C2D8_mC32_12_a_bcdf_e_2ij:Cr-Li-Mn-O +mp-760073,Li10Mn3Cr5O16,-7.3025333456,-2.185253014,0.0838486494,0.0838486494,GGA+U,P1,A5B10C3D16_aP34_1_5a_10a_3a_16a:Cr-Li-Mn-O,34.0,A5B10C3D16_aP34_1_5a_10a_3a_16a:Cr-Li-Mn-O +mp-754963,Li4Mn3Cr2O10,-7.6312533211,-2.163110195,0.0754915153,0.0754915153,GGA+U,P1,A2B4C3D10_aP19_1_2a_4a_3a_10a:Cr-Li-Mn-O,19.0,A2B4C3D10_aP19_1_2a_4a_3a_10a:Cr-Li-Mn-O +mp-1340817,Li4Mn3Cr2O10,-5.6109342674,-0.1427911413,2.0958105689,2.0958105689,GGA+U,P1,A2B4C3D10_aP19_1_2a_4a_3a_10a:Cr-Li-Mn-O,19.0,A2B4C3D10_aP19_1_2a_4a_3a_10a:Cr-Li-Mn-O +mp-805503,Li3Mn5Cr3O16,-4.6549243644,1.257779593,3.3918995206,3.3918995206,GGA+U,P1,A3B3C5D16_aP27_1_3a_3a_5a_16a:Cr-Li-Mn-O,27.0,A3B3C5D16_aP27_1_3a_3a_5a_16a:Cr-Li-Mn-O +mp-774662,Li3Mn5Cr3O16,-8.0414802085,-2.1287762511,0.0053436765,0.0053436765,GGA+U,Cm,A3B3C5D16_mC54_8_3a_3a_a2b_8a4b:Cr-Li-Mn-O,27.0,"Invalid WP multiplicities - A3B3C5D16_mC54_8_3a_3a_a4b_8a6b:Cr-Li-Mn-O, expected Li3Mn9Cr3O20 to be Li3Mn5Cr3O16" +mp-851099,Li9Mn7Cr12O48,-7.6351898051,-1.9168734811,0.058192906,0.058192906,GGA+U,P1,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Mn-O,76.0,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Mn-O +mp-780459,Li9Mn7Cr12O48,-7.6330997554,-1.9147834314,0.0602829557,0.0602829557,GGA+U,P1,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Mn-O,76.0,A12B9C7D48_aP76_1_12a_9a_7a_48a:Cr-Li-Mn-O +mp-780543,Li2MnCr3O8,-7.9837640164,-2.1614416503,0.0936707559,0.0936707559,GGA+U,P-1,A3B2CD8_aP14_2_ade_bg_c_4i:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_aP14_2_ade_bg_c_7i:Cr-Li-Mn-O, expected Li2MnCr3O14 to be Li2MnCr3O8" +mp-774951,Li2MnCr3O8,-8.0474669573,-2.2251445912,0.029967815,0.029967815,GGA+U,C222_1,A3B2CD8_oC112_20_ab2c_2c_ab_8c:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_oC112_20_2a2b8c_4c_2a2b_28c:Cr-Li-Mn-O, expected Li2MnCr5O14 to be Li2MnCr3O8" +mp-1177916,Li2MnCr3O8,-8.0707993927,-2.2484770266,0.0066353796,0.0066353796,GGA+U,P4_32_12,A3B2CD8_tP56_96_ab_b_a_4b:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_tP56_96_4a5b_b_a_25b:Cr-Li-Mn-O, expected Li2MnCr14O50 to be Li2MnCr3O8" +mp-775196,Li2MnCr3O8,-7.9733486479,-2.1510262818,0.1040861244,0.1040861244,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Li-Mn-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Li-Mn-O +mp-775295,Li2MnCr3O8,-8.0566070664,-2.2342847003,0.0208277059,0.0208277059,GGA+U,R-3m,A3B2CD8_hR42_166_d_c_a_ch:Cr-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD8_hR42_166_d_c_a_2ch:Cr-Li-Mn-O, expected Li2MnCr3O10 to be Li2MnCr3O8" +mp-774290,Li2MnCr3O8,-8.0135848182,-2.1912624521,0.0638499541,0.0638499541,GGA+U,P6_3mc,A3B2CD8_hP28_186_c_ab_b_ab2c:Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD8_hP28_186_c_a2b_b_a2b9c:Cr-Li-Mn-O, expected Li3MnCr3O30 to be Li2MnCr3O8" +mp-773456,Li2MnCr3O8,-8.0460971839,-2.2237748178,0.0313375884,0.0313375884,GGA+U,P4_332,A3B2CD8_cP56_212_d_c_a_ce:Cr-Li-Mn-O,56.0,"Invalid WP multiplicities - A3B2CD8_cP56_212_d_c_a_8c9e:Cr-Li-Mn-O, expected Li2MnCr3O70 to be Li2MnCr3O8" +mp-1568343,Li2Mn2CrO6,-7.7107996477,-2.1221581882,0.0814064358,0.0814064358,GGA+U,C222_1,AB2C2D6_oC44_20_a_2b_2a_3c:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_20_a_2b_4a_5c:Cr-Li-Mn-O, expected Li2Mn4CrO10 to be Li2Mn2CrO6" +mp-1568146,Li2Mn2CrO6,-7.7130268523,-2.1243853927,0.0791792312,0.0791792312,GGA+U,Aea2,AB2C2D6_oC44_41_a_b_2a_3b:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_41_a_b_4a_7b:Cr-Li-Mn-O, expected Li2Mn4CrO14 to be Li2Mn2CrO6" +mp-756038,Li2Mn2CrO6,-7.6923185691,-2.1036771095,0.0998875144,0.0998875144,GGA+U,Cmce,AB2C2D6_oC44_64_a_e_d_fg:Cr-Li-Mn-O,22.0,"Invalid WP multiplicities - AB2C2D6_oC44_64_a_e_d_2f3g:Cr-Li-Mn-O, expected Li2Mn2CrO16 to be Li2Mn2CrO6" +mp-778359,Li32Mn3Cr13O48,-6.926971601,-2.2238231338,0.0282681067,0.0282681067,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777797,Li32Mn3Cr13O48,-6.9271356811,-2.2239872139,0.0281040266,0.0281040266,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-778190,Li32Mn3Cr13O48,-6.9267024326,-2.2235539653,0.0285372751,0.0285372751,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777842,Li32Mn3Cr13O48,-6.9274239215,-2.2242754542,0.0278157863,0.0278157863,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777691,Li32Mn3Cr13O48,-6.9256278731,-2.2224794058,0.0296118346,0.0296118346,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777959,Li32Mn3Cr13O48,-6.9266019525,-2.2234534852,0.0286377552,0.0286377552,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777827,Li32Mn3Cr13O48,-6.9267962549,-2.2236477876,0.0284434528,0.0284434528,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777886,Li32Mn3Cr13O48,-6.9263653067,-2.2232168394,0.028874401,0.028874401,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777826,Li32Mn3Cr13O48,-6.9263695198,-2.2232210525,0.0288701879,0.0288701879,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-777576,Li32Mn3Cr13O48,-6.9269970199,-2.2238485526,0.0282426878,0.0282426878,GGA+U,P1,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O,96.0,A13B32C3D48_aP96_1_13a_32a_3a_48a:Cr-Li-Mn-O +mp-754504,LiMn3CrO8,-8.0249510677,-1.9771413829,0.0562272242,0.0562272242,GGA+U,C2/m,ABC3D8_mC26_12_a_c_be_2ij:Cr-Li-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_a_c_be_3i2j:Cr-Li-Mn-O, expected LiMn3CrO14 to be LiMn3CrO8" +mp-756504,LiMn3CrO8,-8.0705039862,-2.0226943013,0.0106743058,0.0106743058,GGA+U,R3m,ABC3D8_hR39_160_a_a_b_2a2b:Cr-Li-Mn-O,13.0,ABC3D8_hR39_160_a_a_b_2a2b:Cr-Li-Mn-O +mp-756839,Li3MnCr4O8,-8.0345272812,-2.2173720649,0.1009603719,0.1009603719,GGA+U,C2/m,A4B3CD8_mC32_12_ade_cf_b_2ij:Cr-Li-Mn-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ace_b2f_d_3i2j:Cr-Li-Mn-O, expected Li5MnCr4O14 to be Li3MnCr4O8" +mp-1187272,Tb2CuIr,-6.130015075,-0.5784218125,0.0235507863,0.0235507863,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-Tb,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-Tb +mp-1218764,Sr2TbCu2IrO8,-6.8021126379,-2.1861333367,0.0651306725,0.0651306725,GGA,Amm2,A2BC8D2E_oC28_38_c_a_cdf_c_b:Cu-Ir-O-Sr-Tb,14.0,A2BC8D2E_oC28_38_c_a_cdf_c_b:Cu-Ir-O-Sr-Tb +mp-6362,Sr2TbIrO6,-7.4275891225,-2.7743971771,0.0,-0.1102028118,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ir-O-Sr-Tb,20.0,AB6C2D_mP20_14_a_3e_e_b:Ir-O-Sr-Tb +mp-1228432,Ba8Ta2Ru3(BrO9)2,-7.5727929652,-2.7534894542,0.0145146326,0.0145146326,GGA,R-3m,A8B2C18D3E2_hR99_166_4c_c_3h_ac_c:Ba-Br-O-Ru-Ta,33.0,A8B2C18D3E2_hR99_166_4c_c_3h_ac_c:Ba-Br-O-Ru-Ta +mp-558725,Ba5Ru2Br2O9,-6.6771624819,-2.4677216574,0.0,-0.0516719241,GGA,P6_3/mmc,A5B2C9D2_hP36_194_c2f_f_hk_e:Ba-Br-O-Ru,36.0,"Invalid WP multiplicities - A5B2C9D2_hP36_194_2c3f_f_2h3k_e:Ba-Br-O-Ru, expected Ba4RuBrO12 to be Ba5Ru2Br2O9" +mp-556877,Ba7Ru4Br2O15,-6.9282970193,-2.3626962311,0.0054756867,0.0054756867,GGA,R-3m,A7B2C15D4_hR84_166_a3c_c_e2h_2c:Ba-Br-O-Ru,28.0,"Invalid WP multiplicities - A7B2C15D4_hR84_166_a4c_c_2e10h_4c:Ba-Br-O-Ru, expected Ba9Ru8(BrO33)2 to be Ba7Ru4Br2O15" +mp-695535,Ba13Ru10BrO36,-7.1482671359,-2.1928584433,0.0214716995,0.0214716995,GGA,C2/m,A13BC36D10_mC240_12_7i3j_i_6i15j_abe4i2j:Ba-Br-O-Ru,120.0,"Invalid WP multiplicities - A13BC36D10_mC240_12_14i6j_i_10i36j_abf8i4j:Ba-Br-O-Ru, expected Ba26Ru18BrO82 to be Ba13Ru10BrO36" +mp-1521539,CeEu2ZrO6,-10.0357130673,-3.568220502,0.0633847941,0.0633847941,GGA,Pn-3,AB2C6D_cP40_201_b_ad_h_c:Ce-Eu-O-Zr,40.0,AB2C6D_cP40_201_b_ad_h_c:Ce-Eu-O-Zr +mp-1521416,CeEu2ZrO6,-9.943172266,-3.4756797007,0.1559255954,0.1559255954,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-Zr,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-Zr +mp-1522522,BaCeEuNbO6,-9.1295439145,-3.3404935943,0.0749072116,0.0749072116,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Ce-Eu-Nb-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Ce-Eu-Nb-O, expected BaCeEuNbO12 to be BaCeEuNbO6" +mp-1522488,BaCeEuNbO6,-9.091464356,-3.3024140358,0.1129867701,0.1129867701,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Nb-O +mp-2227665,Sr2MgCu(BrO)2,-4.5263611637,-1.7666227001,0.7459133440000001,0.7459133440000001,GGA,Cm,A2BCD2E2_mC16_8_2a_a_a_2a_2a:Br-Cu-Mg-O-Sr,8.0,A2BCD2E2_mC16_8_2a_a_a_2a_2a:Br-Cu-Mg-O-Sr +mp-2228100,Sr2MgCu(BrO)2,-4.5380159037,-1.7782774401,0.7342586040000001,0.7342586040000001,GGA,I4mm,A2BCD2E2_tI16_107_2a_a_a_b_2a:Br-Cu-Mg-O-Sr,8.0,A2BCD2E2_tI16_107_2a_a_a_b_2a:Br-Cu-Mg-O-Sr +mp-2226869,Sr2MgCu(BrO)2,-4.5369838163,-1.7772453526,0.7352906915,0.7352906915,GGA,I-4m2,A2BCD2E2_tI16_119_e_a_c_f_e:Br-Cu-Mg-O-Sr,8.0,A2BCD2E2_tI16_119_e_a_c_f_e:Br-Cu-Mg-O-Sr +mp-2240648,Sr2MgCu(BrO)2,-4.2845658888,-1.5248274251,0.987708619,0.987708619,GGA,I4/mmm,A2BCD2E2_tI16_139_e_a_b_c_e:Br-Cu-Mg-O-Sr,,A2BCD2E2_tI16_139_e_a_b_c_e:Br-Cu-Mg-O-Sr +mp-1522105,CaTbEuNbO6,-8.96348799,-3.2956474813,0.1856916867,0.1856916867,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Tb +mp-1040029,RbLaMg30O32,-6.2445063783,-2.9285847933,0.1196747844,0.1196747844,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:La-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:La-Mg-O-Rb, expected RbLaMg110O72 to be RbLaMg30O32" +mp-1039978,RbLaMg30O32,-6.2285641944,-2.9126426094,0.1356169683,0.1356169683,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:La-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:La-Mg-O-Rb, expected RbLaMg90O80 to be RbLaMg30O32" +mp-1017488,RbLaMg6,-1.7225502619,0.2172274228,0.2911167275,0.2911167275,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Rb, expected RbLaMg12 to be RbLaMg6" +mp-1021288,RbLaMg6,-1.718112575,0.2216651097,0.2955544144,0.2955544144,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:La-Mg-Rb, expected RbLaMg12 to be RbLaMg6" +mp-1031004,RbLaMg6O8,-6.0505957031,-2.6073625052,0.4235549075,0.4235549075,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:La-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:La-Mg-O-Rb, expected RbLaMg6O12 to be RbLaMg6O8" +mp-1031038,RbLaMg6O8,-5.9202269444,-2.4769937464,0.5539236662,0.5539236662,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:La-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:La-Mg-O-Rb, expected RbLaMg6O12 to be RbLaMg6O8" +mp-2228906,Rb2LaMgNb2O8,-7.67854275,-2.8018659593,0.2076344793,0.2076344793,GGA,Pmmm,ABC2D8E2_oP14_47_g_d_i_abijk_l:La-Mg-Nb-O-Rb,14.0,"Invalid WP multiplicities - ABC2D8E2_oP14_47_g_d_i_abi2j2k_l:La-Mg-Nb-O-Rb, expected Rb2LaMgNb2O12 to be Rb2LaMgNb2O8" +mp-2227770,Rb2LaMgNb2O8,-7.4068143593,-2.5301375686,0.47936287,0.47936287,GGA,P4mm,ABC2D8E2_tP14_99_a_a_2b_4b2c_2a:La-Mg-Nb-O-Rb,14.0,ABC2D8E2_tP14_99_a_a_2b_4b2c_2a:La-Mg-Nb-O-Rb +mp-1035052,RbLaMg14O16,-6.1087821991,-2.7504234098,0.2920554463,0.2920554463,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:La-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:La-Mg-O-Rb, expected RbLaMg18O20 to be RbLaMg14O16" +mp-1035054,RbLaMg14O16,-6.1396496678,-2.7812908785,0.2611879775,0.2611879775,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:La-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:La-Mg-O-Rb, expected RbLaMg30O32 to be RbLaMg14O16" +mp-1026765,RbLaMg14,-1.6331574237000002,0.1368714436,0.1810508945,0.1810508945,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Rb, expected RbLaMg18 to be RbLaMg14" +mp-1026757,RbLaMg14,-1.64887073,0.1211581373,0.1653375883,0.1653375883,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Rb, expected RbLaMg26 to be RbLaMg14" +mp-1518767,EuCrSnBiO6,-7.911347644,-2.1673233918,0.1738906075,0.1738906075,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Cr-Eu-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Cr-Eu-O-Sn +mp-1046503,Ba2Ca2Tl2Cr3O10,-7.0610504242,-2.2715522423,0.2081652971,0.2081652971,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Cr-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Cr-O-Tl +mp-1838903,Ba2Ca3Tl2Cr4O12,-7.2120414187,-2.318454887,0.2360590343,0.2360590343,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Cr-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Cr-O-Tl, expected Ba2Ca3Tl2Cr6O32 to be Ba2Ca3Tl2Cr4O12" +mp-1286819,La2GaCoO6,-7.7973624468,-2.8285064172,0.0399696368,0.0399696368,GGA+U,P-1,ABC2D6_aP40_2_bci_2i_4i_12i:Co-Ga-La-O,40.0,"Invalid WP multiplicities - ABC2D6_aP40_2_bci_2i_8i_24i:Co-Ga-La-O, expected La4GaCoO12 to be La2GaCoO6" +mp-1223269,La2GaCoO6,-7.802168335,-2.8333123055,0.0351637486,0.0351637486,GGA+U,R-3,ABC2D6_hR30_148_a_b_c_f:Co-Ga-La-O,10.0,ABC2D6_hR30_148_a_b_c_f:Co-Ga-La-O +mp-1218696,Sr3LaGaCo2O9,-6.9040927469,-2.4185041545,0.1744399948,0.1744399948,GGA+U,Fmm2,A2BCD9E3_oF64_42_2a_a_a_3a2bc_3a:Co-Ga-La-O-Sr,16.0,"Invalid WP multiplicities - A2BCD9E3_oF64_42_2a_a_a_3a3bc_3a:Co-Ga-La-O-Sr, expected Sr3LaGaCo2O11 to be Sr3LaGaCo2O9" +mp-1173241,Sr3La7Ga(Co3O10)3,-7.5457018633,-2.4452189111,0.0384215512,0.0384215512,GGA+U,C2,A9BC7D30E3_mC200_5_9c_c_ab6c_ab29c_3c:Co-Ga-La-O-Sr,100.0,"Invalid WP multiplicities - A9BC7D30E3_mC200_5_16c_c_ab12c_ab56c_5c:Co-Ga-La-O-Sr, expected Sr5La13GaCo16O57 to be Sr3La7Ga(Co3O10)3" +mp-1521763,SrCrSnSbO6,-7.092283633,-2.1761590044,0.1831839508,0.1831839508,GGA+U,F-43m,AB6CDE_cF40_216_a_f_b_c_d:Cr-O-Sb-Sn-Sr,10.0,AB6CDE_cF40_216_a_f_b_c_d:Cr-O-Sb-Sn-Sr +mp-1218216,SrNd3Fe4(AsO)4,-7.0707028137,-1.5521247478,0.2957599582,0.2957599582,GGA+U,I4mm,A4B4C3D4E_tI32_107_2ab_c_ab_c_a:As-Fe-Nd-O-Sr,16.0,A4B4C3D4E_tI32_107_2ab_c_ab_c_a:As-Fe-Nd-O-Sr +mp-684784,SrNd7Fe8(AsO)8,-7.2215022706,-1.6067162678,0.2643469465,0.2643469465,GGA+U,I4mm,A8B8C7D8E_tI64_107_2abc_2d_abc_2d_a:As-Fe-Nd-O-Sr,32.0,"Invalid WP multiplicities - A8B8C7D8E_tI64_107_2a2b2c_4d_a2b2c_5d_a:As-Fe-Nd-O-Sr, expected SrNd13Fe16(As7O10)2 to be SrNd7Fe8(AsO)8" +mp-694989,SrNd5Fe6(AsO)6,-7.172989924,-1.5902732334,0.2730638115,0.2730638115,GGA+U,P-1,A6B6C5D6E_aP48_2_6i_6i_5i_6i_i:As-Fe-Nd-O-Sr,48.0,"Invalid WP multiplicities - A6B6C5D6E_aP48_2_11i_11i_9i_11i_i:As-Fe-Nd-O-Sr, expected SrNd9Fe11(AsO)11 to be SrNd5Fe6(AsO)6" +mp-1227718,Ca2TiRuO6,-7.9753484005,-2.8892257421,0.00292552,0.00292552,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Ru-Ti,20.0,"Invalid WP multiplicities - A2B6CD_mP20_14_e_5e_a_b:Ca-O-Ru-Ti, expected Ca2TiRuO10 to be Ca2TiRuO6" +mp-1227569,Ca2LaRuO6,-7.65140567,-2.8612315027,0.0,-0.0289233487,GGA,P-1,A2BC6D_aP20_2_ahi_i_6i_be:Ca-La-O-Ru,20.0,A2BC6D_aP20_2_ahi_i_6i_be:Ca-La-O-Ru +mp-1227546,Ca2LaRuO6,-7.651022865,-2.8608486977,0.000382805,-0.0285405437,GGA,Pc,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Ru,20.0,A2BC6D_mP20_7_2a_a_6a_a:Ca-La-O-Ru +mp-1227252,CaLa4Ti3RuO15,-8.7636376204,-3.3923527221,0.101121297,0.101121297,GGA,P3m1,AB4C15DE3_hP24_156_a_2b2c_5d_b_2ac:Ca-La-O-Ru-Ti,24.0,AB4C15DE3_hP24_156_a_2b2c_5d_b_2ac:Ca-La-O-Ru-Ti +mp-1206575,BaGdFeCuO5,-7.7883822167,-1.866407926,0.5838277068000001,0.5838277068000001,GGA+U,P4mm,ABCDE5_tP9_99_b_a_a_b_a2c:Ba-Cu-Fe-Gd-O,9.0,ABCDE5_tP9_99_b_a_a_b_a2c:Ba-Cu-Fe-Gd-O +mp-1046524,Ba2Tl2Zn2Fe3O10,-6.1701177742,-1.6459243986,0.2208387899,0.2208387899,GGA+U,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Fe-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Fe-O-Tl-Zn +mp-1048584,Ba2Tl2Zn3(FeO3)4,-6.1079160374,-1.5173588036,0.3325483542,0.3325483542,GGA+U,I4/mmm,A2B4C12D2E3_tI46_139_e_2e_2e2g_e_ae:Ba-Fe-O-Tl-Zn,23.0,"Invalid WP multiplicities - A2B4C12D2E3_tI46_139_e_3e_4e6g_e_ae:Ba-Fe-O-Tl-Zn, expected Ba2Tl2Zn3(Fe3O16)2 to be Ba2Tl2Zn3(FeO3)4" +mp-1517256,BaZrTiInO6,-8.10934743,-3.0299490716,0.1983372923,0.1983372923,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Ti-Zr +mp-694875,Ba2Ca2Zn5Fe3O14,-6.1848628721,-1.9998023614,0.1840668418,0.1840668418,GGA+U,P2_1,A2B2C3D14E5_mP52_4_2a_2a_3a_14a_5a:Ba-Ca-Fe-O-Zn,52.0,"Invalid WP multiplicities - A2B2C3D14E5_mP52_4_3a_3a_4a_25a_10a:Ba-Ca-Fe-O-Zn, expected Ba3Ca3Zn10Fe4O25 to be Ba2Ca2Zn5Fe3O14" +mp-694977,SrLa4TiCr4O15,-8.9236822865,-3.2380209089,0.0304909867,0.0304909867,GGA+U,P1,A4B4C15DE_aP100_1_16a_16a_60a_4a_4a:Cr-La-O-Sr-Ti,100.0,A4B4C15DE_aP100_1_16a_16a_60a_4a_4a:Cr-La-O-Sr-Ti +mp-706258,Sr2La3Ti2Cr3O15,-8.8006619376,-3.3151633242000003,0.0244737463,0.0244737463,GGA+U,P1,A3B3C15D2E2_aP100_1_12a_12a_60a_8a_8a:Cr-La-O-Sr-Ti,100.0,A3B3C15D2E2_aP100_1_12a_12a_60a_8a_8a:Cr-La-O-Sr-Ti +mp-1218781,Sr2La2MgTi3O12,-8.496644911,-3.6017438234,0.0222563419,0.0222563419,GGA,P1,A2BC12D2E3_aP20_1_2a_a_12a_2a_3a:La-Mg-O-Sr-Ti,20.0,A2BC12D2E3_aP20_1_2a_a_12a_2a_3a:La-Mg-O-Sr-Ti +mp-694982,Sr2La2MgTi3O12,-8.4897077725,-3.5948066849,0.0291934804,0.0291934804,GGA,P2_1/c,A2BC12D2E3_mP40_14_e_a_6e_e_be:La-Mg-O-Sr-Ti,40.0,"Invalid WP multiplicities - A2BC12D2E3_mP40_14_e_a_23e_e_2d2e:La-Mg-O-Sr-Ti, expected Sr2La2MgTi6O46 to be Sr2La2MgTi3O12" +mp-686467,Sr14La6Mg3Ti17O60,-8.4794290345,-3.5884842537,0.0071208836,0.0071208836,GGA,Cm,A6B3C60D14E17_mC200_8_6a_3a_20a20b_14a_17a:La-Mg-O-Sr-Ti,100.0,"Invalid WP multiplicities - A6B3C60D14E17_mC200_8_6a_3a_20a40b_14a_17a:La-Mg-O-Sr-Ti, expected Sr14La6Mg3Ti17O100 to be Sr14La6Mg3Ti17O60" +mp-691028,Sr6La14Mg7Ti13O60,-8.5270599976,-3.6282026033,0.02419259,0.02419259,GGA,P1,A14B7C60D6E13_aP100_1_14a_7a_60a_6a_13a:La-Mg-O-Sr-Ti,100.0,A14B7C60D6E13_aP100_1_14a_7a_60a_6a_13a:La-Mg-O-Sr-Ti +mp-1173180,SrLa7Ti4(Cu2O11)2,-8.2516619792,-3.1714648849,0.1146262177,0.1146262177,GGA,Pm,A4B7C22DE4_mP38_6_2c_a2b2c_ab10c_a_2c:Cu-La-O-Sr-Ti,38.0,"Invalid WP multiplicities - A4B7C22DE4_mP38_6_2c_a2b2c_ab14c_a_2c:Cu-La-O-Sr-Ti, expected SrLa7Ti4(Cu2O15)2 to be SrLa7Ti4(Cu2O11)2" +mp-684769,Sr2La6TiCu3O16,-7.8110612775,-3.0848055295,0.0633179948,0.0633179948,GGA,Cmmm,A3B6C16D2E_oC56_65_bk_go_gh2no_h_c:Cu-La-O-Sr-Ti,28.0,"Invalid WP multiplicities - A3B6C16D2E_oC56_65_bk_g2o_gh4n3o_h_c:Cu-La-O-Sr-Ti, expected Sr2La10TiCu3O32 to be Sr2La6TiCu3O16" +mp-1173245,Sr6La3Ti3Cu3O20,-7.6194863954,-3.0519763291,0.035301349,0.035301349,GGA,P1,A3B3C20D6E3_aP35_1_3a_3a_20a_6a_3a:Cu-La-O-Sr-Ti,35.0,A3B3C20D6E3_aP35_1_3a_3a_20a_6a_3a:Cu-La-O-Sr-Ti +mp-1256846,Ba2AlTlFe2O7,-6.8380545385,-2.1062828265,0.2757315105,0.2757315105,GGA+U,P1,AB2C2D7E_aP13_1_a_2a_2a_7a_a:Al-Ba-Fe-O-Tl,13.0,AB2C2D7E_aP13_1_a_2a_2a_7a_a:Al-Ba-Fe-O-Tl +mp-1046349,Ba2AlTlFe2O7,-6.6795098962,-1.9477381842,0.4342761528,0.4342761528,GGA+U,P4/mmm,AB2C2D7E_tP13_123_b_g_h_ahi_c:Al-Ba-Fe-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_tP13_123_b_g_h_a2h2i_c:Al-Ba-Fe-O-Tl, expected Ba2AlTlFe2O13 to be Ba2AlTlFe2O7" +mp-1233367,MgSc4(Si2O7)2,-8.2283158561,-3.1028780062,0.4074982354,0.4074982354,GGA,Imm2,AB14C4D4_oI46_44_a_3a3b2e_cd_cd:Mg-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_oI46_44_a_3a3b7e_cd_cd:Mg-O-Sc-Si, expected MgSc4(Si2O17)2 to be MgSc4(Si2O7)2" +mp-1233228,MgSc4(Si2O7)2,-8.3085284422,-3.1830905923,0.3272856493,0.3272856493,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Mg-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a9b_ab_ab:Mg-O-Sc-Si, expected MgSc4Si4O29 to be MgSc4(Si2O7)2" +mp-773046,Mg4Sc3(SiO3)8,-8.1095873359,-3.3013411609,0.0733306798,0.0733306798,GGA,P2,A4B24C3D8_mP39_3_2abc_12e_bcd_4e:Mg-O-Sc-Si,39.0,"Invalid WP multiplicities - A4B24C3D8_mP39_3_a2bc_24e_acd_8e:Mg-O-Sc-Si, expected Mg4Sc3(SiO3)16 to be Mg4Sc3(SiO3)8" +mp-695000,LiMg6Sc(SiO3)8,-7.5021822253,-3.0030285857,0.2597584772,0.2597584772,GGA,Pc,AB6C24DE8_mP80_7_a_6a_24a_a_8a:Li-Mg-O-Sc-Si,80.0,"Invalid WP multiplicities - AB6C24DE8_mP80_7_a_11a_39a_a_12a:Li-Mg-O-Sc-Si, expected LiMg11Sc(Si4O13)3 to be LiMg6Sc(SiO3)8" +mp-1218819,Sr2Gd2TlNi2O9,-8.0898705463,-2.4664739028,0.0357892548,0.0357892548,GGA+U,Fmm2,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Gd-Ni-O-Sr-Tl,16.0,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Gd-Ni-O-Sr-Tl +mp-1235294,Sr2LiCuBrO2,-4.8768412171,-1.9006237606,0.4200320794,0.4200320794,GGA,Cm,ABCD2E2_mC14_8_a_a_a_2a_2a:Br-Cu-Li-O-Sr,7.0,ABCD2E2_mC14_8_a_a_a_2a_2a:Br-Cu-Li-O-Sr +mp-1235297,Sr2LiCuBrO2,-4.8237852071,-1.8475677506,0.4730880894,0.4730880894,GGA,R3m,ABCD2E2_hR21_160_a_a_a_2a_2a:Br-Cu-Li-O-Sr,7.0,ABCD2E2_hR21_160_a_a_a_2a_2a:Br-Cu-Li-O-Sr +mp-1235608,Sr2LiCuBrO2,-4.8766409614,-1.9004235049,0.4202323351,0.4202323351,GGA,R3m,ABCD2E2_hR21_160_a_a_a_2a_2a:Br-Cu-Li-O-Sr,7.0,ABCD2E2_hR21_160_a_a_a_2a_2a:Br-Cu-Li-O-Sr +mp-1186785,PrEuZn2,-4.6742179925,-0.2848692988,0.0049037525,0.0049037525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Eu-Pr-Zn +mp-1518308,PrEuNbZnO6,-8.556665227,-2.9487563798,0.178044958,0.178044958,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Pr-Zn,,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Pr-Zn +mp-1104254,Bi4Pb(ClO3)2,-5.6052525731,-1.570498021,0.1206687865,0.1206687865,GGA,I4/mmm,A4B2C6D_tI26_139_2e_e_dg_a:Bi-Cl-O-Pb,13.0,A4B2C6D_tI26_139_2e_e_dg_a:Bi-Cl-O-Pb +mp-685855,Nb3(Bi5Cl9)2,-4.4197040802,-1.1299471027,0.0903886832,0.0903886832,GGA,P3,A10B18C3_hP62_143_2a6d_12d_2d:Bi-Cl-Nb,62.0,"Invalid WP multiplicities - A10B18C3_hP62_143_2a14d_36d_4d:Bi-Cl-Nb, expected Nb3Bi11Cl27 to be Nb3(Bi5Cl9)2" +mp-1228274,Bi13Pb3Cl7O19,-5.6294864955,-1.6296973994,0.0650014428,0.0650014428,GGA,Cm,A13B7C19D3_mC84_8_13a_7a_19a_3a:Bi-Cl-O-Pb,42.0,A13B7C19D3_mC84_8_13a_7a_19a_3a:Bi-Cl-O-Pb +mp-23084,BiPbClO2,-5.549365916,-1.6903558595,0.0,-0.054405031,GGA,Cmcm,ABC2D_oC20_63_c_c_e_c:Bi-Cl-O-Pb,10.0,ABC2D_oC20_63_c_c_e_c:Bi-Cl-O-Pb +mp-1229189,Bi14Pb4Cl8O21,-5.5932996987,-1.6084870963,0.0857497266,0.0857497266,GGA,Cm,A14B8C21D4_mC94_8_14a_8a_21a_4a:Bi-Cl-O-Pb,47.0,A14B8C21D4_mC94_8_14a_8a_21a_4a:Bi-Cl-O-Pb +mp-1220834,Nb2Bi3Pb2ClO11,-7.1648065242,-2.1431494666,0.0554221255,0.0554221255,GGA,P4/mmm,A3BC2D11E2_tP19_123_ah_b_h_ch2i_g:Bi-Cl-Nb-O-Pb,19.0,A3BC2D11E2_tP19_123_ah_b_h_ch2i_g:Bi-Cl-Nb-O-Pb +mp-23630,NbBi4ClO8,-6.8385885241,-2.0610665305,0.0,-0.0113405157,GGA,Pbcn,A4BCD8_oP56_60_2d_a_c_4d:Bi-Cl-Nb-O,56.0,"Invalid WP multiplicities - A4BCD8_oP56_60_5d_a_c_5d:Bi-Cl-Nb-O, expected NbBi10ClO10 to be NbBi4ClO8" +mp-1227872,Bi12Pb2Cl6O17,-5.6562052722,-1.6373919816,0.0578937502,0.0578937502,GGA,Cm,A12B6C17D2_mC74_8_12a_6a_17a_2a:Bi-Cl-O-Pb,37.0,A12B6C17D2_mC74_8_12a_6a_17a_2a:Bi-Cl-O-Pb +mp-1228281,Ba3ZrTa4O15,-9.3946955222,-3.4844317553,0.0064310472,0.0064310472,GGA,P4bm,A3B15C4D_tP46_100_ac_bc3d_d_b:Ba-O-Ta-Zr,46.0,A3B15C4D_tP46_100_ac_bc3d_d_b:Ba-O-Ta-Zr +mp-686330,Ba10Mg3ZrTa6O30,-8.3694400243,-3.3277276784,0.1116015351,0.1116015351,GGA,R-3m,A10B3C30D6E_hR300_166_10c_3c_10h_ab5c_c:Ba-Mg-O-Ta-Zr,100.0,"Invalid WP multiplicities - A10B3C30D6E_hR300_166_18c_5c_39h_ab10c_c:Ba-Mg-O-Ta-Zr, expected Ba18Mg5ZrTa11O117 to be Ba10Mg3ZrTa6O30" +mp-1208660,SmCrSb3,-5.9124406495,-0.5607131845000001,0.0161096345,0.0161096345,GGA,Pbcm,AB3C_oP20_57_c_c2d_d:Cr-Sb-Sm,20.0,AB3C_oP20_57_c_c2d_d:Cr-Sb-Sm +mp-1516756,BaSrCeCrO6,-7.90323059,-3.0157568614,0.1143819861,0.1143819861,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Cr-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Cr-O-Sr +mp-774612,Li4Mn2Fe3Cu3O16,-6.6466136979,-1.5460985168,0.0706247414,0.0706247414,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Cu-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Cu-Fe-Li-Mn-O, expected Li4Mn2Fe3Cu3O20 to be Li4Mn2Fe3Cu3O16" +mp-756989,Li4Mn3Fe3(CuO8)2,-6.9674868846,-1.6861571099,0.0576998264,0.0576998264,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Cu-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Cu-Fe-Li-Mn-O, expected Li4Mn3Fe3(CuO10)2 to be Li4Mn3Fe3(CuO8)2" +mp-1221984,Mn3Fe8CuO16,-8.0579796675,-1.6832496101,0.0667454461,0.0667454461,GGA+U,R3m,AB8C3D16_hR84_160_a_2a2b_3a_4a4b:Cu-Fe-Mn-O,28.0,"Invalid WP multiplicities - AB8C3D16_hR84_160_a_2a6b_3a_4a12b:Cu-Fe-Mn-O, expected Mn3Fe20CuO40 to be Mn3Fe8CuO16" +mp-779210,Li4Mn3Fe2Cu3O16,-6.7553241629,-1.6300949074000002,0.0357296767,0.0357296767,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Cu-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Cu-Fe-Li-Mn-O, expected Li4Mn3Fe2Cu3O20 to be Li4Mn3Fe2Cu3O16" +mp-1221688,MnFe4CuO8,-7.7837155279,-1.5898000641,0.073345965,0.073345965,GGA+U,F-43m,AB4CD8_cF56_216_a_e_c_2e:Cu-Fe-Mn-O,14.0,AB4CD8_cF56_216_a_e_c_2e:Cu-Fe-Mn-O +mp-1049286,LaZnCrBiO6,-7.210509349,-2.2735673908000003,0.147818692,0.147818692,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Bi-Cr-La-O-Zn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Bi-Cr-La-O-Zn, expected LaZnCrBiO12 to be LaZnCrBiO6" +mp-1044221,ZnCrBiO5,-6.6738799641,-1.7380394933,0.0725251139,0.0725251139,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Cr-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Cr-O-Zn, expected ZnCrBiO15 to be ZnCrBiO5" +mp-1042696,ZnCrBiO5,-6.6079747325,-1.6721342617,0.1384303454,0.1384303454,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Cr-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Cr-O-Zn, expected ZnCrBiO31 to be ZnCrBiO5" +mp-1049240,LaZnCrMoO6,-8.0899123325,-2.4524542763,0.1159558726,0.1159558726,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Cr-La-Mo-O-Zn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Cr-La-Mo-O-Zn, expected LaZnCrMoO12 to be LaZnCrMoO6" +mp-1516692,BaNaNdFeO6,-6.793495404,-2.1775152897,0.1432725845,0.1432725845,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Fe-Na-Nd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Fe-Na-Nd-O +mp-1173199,Sr6Nd4Mn3(RhO10)2,-7.1137714017,-2.2464003648,0.5807377064,0.5807377064,GGA+U,P1,A3B4C20D2E6_aP35_1_3a_4a_20a_2a_6a:Mn-Nd-O-Rh-Sr,35.0,A3B4C20D2E6_aP35_1_3a_4a_20a_2a_6a:Mn-Nd-O-Rh-Sr +mp-1220508,Nd2MnRhO6,-8.287427115,-2.7131520855,0.0169319088,0.0169319088,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Mn-Nd-O-Rh,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Mn-Nd-O-Rh, expected Nd2MnRhO10 to be Nd2MnRhO6" +mp-2233743,Sm2MgTi2(ClO3)2,-7.87607252,-3.2448692938,0.1094195112,0.1094195112,GGA,Cm,A2BC6D2E2_mC26_8_2a_a_6a_2a_2a:Cl-Mg-O-Sm-Ti,13.0,A2BC6D2E2_mC26_8_2a_a_6a_2a_2a:Cl-Mg-O-Sm-Ti +mp-2227055,Sm2MgTi2(ClO3)2,-7.7946968915,-3.1634936653,0.1907951396,0.1907951396,GGA,C2/m,A2BC6D2E2_mC26_12_i_a_3i_i_i:Cl-Mg-O-Sm-Ti,13.0,"Invalid WP multiplicities - A2BC6D2E2_mC26_12_i_a_6i_i_i:Cl-Mg-O-Sm-Ti, expected Sm2MgTi2(ClO6)2 to be Sm2MgTi2(ClO3)2" +mp-555184,SmTiClO3,-8.394986,-3.5112058424,0.0,-0.0149727558,GGA,C2/m,AB3CD_mC24_12_i_3i_i_i:Cl-O-Sm-Ti,12.0,"Invalid WP multiplicities - AB3CD_mC24_12_i_6i_i_i:Cl-O-Sm-Ti, expected SmTiClO6 to be SmTiClO3" +mp-1519895,CaEuTiNbO6,-9.314708989,-3.3207558886,0.0703490569,0.0703490569,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Ti,,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Ti +mp-1214540,Ba5Yb2ZrAl2O13,-7.246780548,-3.2024372091,0.0639115788,0.0639115788,GGA,P6_3/mmc,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Yb-Zr,,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Yb-Zr +mp-1518769,SrLaFeBiO6,-7.210613991,-2.3489996744,0.213783903,0.213783903,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-La-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-La-O-Sr +mp-1811371,Ba2Mg3Tl2(FeO3)4,-6.5148856952,-1.8799106649,0.2999815457,0.2999815457,GGA+U,I4/mmm,A2B4C3D12E2_tI46_139_e_2e_ae_2e2g_e:Ba-Fe-Mg-O-Tl,23.0,"Invalid WP multiplicities - A2B4C3D12E2_tI46_139_e_3e_ae_4e6g_e:Ba-Fe-Mg-O-Tl, expected Ba2Mg3Tl2(Fe3O16)2 to be Ba2Mg3Tl2(FeO3)4" +mp-2240587,MgTl2(FeO2)2,-5.9993612011,-1.2157652446,0.4242243787,0.4242243787,GGA+U,Cm,A2BC4D2_mC18_8_2a_a_2ab_2a:Fe-Mg-O-Tl,9.0,A2BC4D2_mC18_8_2a_a_2ab_2a:Fe-Mg-O-Tl +mp-2223690,MgTl2(FeO2)2,-5.7971530467,-1.0135570902,0.6264325331,0.6264325331,GGA+U,R-3m,A2BC4D2_hR27_166_c_b_ad_c:Fe-Mg-O-Tl,9.0,"Invalid WP multiplicities - A2BC4D2_hR27_166_c_b_a2d_c:Fe-Mg-O-Tl, expected MgTl2Fe2O7 to be MgTl2(FeO2)2" +mp-1046553,Ba2Mg2Tl2Fe3O10,-6.4695370742,-1.9094977576,0.2234408598,0.2234408598,GGA+U,P1,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Fe-Mg-O-Tl,19.0,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Fe-Mg-O-Tl +mp-1520444,BaPrEuFeO6,-8.15114481,-2.6404412127,0.1653386655,0.1653386655,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Eu-Fe-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Eu-Fe-O-Pr +mp-1521765,SrCaSmFeO6,-7.194470233,-2.5380869384,0.2033035656,0.2033035656,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Ca-Fe-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Ca-Fe-O-Sm-Sr +mp-1521866,SrCaSmFeO6,-7.223373286,-2.5669899914,0.1744005126,0.1744005126,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Fe-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Fe-O-Sm-Sr +mp-677233,NaAl3Tl2(SiO4)3,-7.3022749287,-2.8774769429,0.1079710361,0.1079710361,GGA,P4mm,A3BC12D3E2_tP84_99_3e_e_2c3d3ef2g_eg_2d:Al-Na-O-Si-Tl,84.0,"Invalid WP multiplicities - A3BC12D3E2_tP84_99_3e_e_2c5d3e3f2g_e2g_2d:Al-Na-O-Si-Tl, expected NaAl3Tl2Si5O16 to be NaAl3Tl2(SiO4)3" +mp-1221952,MgTi2NiO6,-8.2714271862,-2.9862738832,0.0,-0.0008391287,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Mg-Ni-O-Ti,40.0,ABC6D2_hR30_146_a_a_2b_2a:Mg-Ni-O-Ti +mp-2223109,La2MgTiNiO6,-7.6533241427,-2.668955486,0.6901242734,0.6901242734,GGA+U,Immm,A2BCD6E_oI22_71_f_c_a_el_b:La-Mg-Ni-O-Ti,11.0,A2BCD6E_oI22_71_f_c_a_el_b:La-Mg-Ni-O-Ti +mp-1037199,Mg30TiNiO32,-6.4104137161,-2.9732563886000003,0.0580432958,0.0580432958,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Ti, expected Mg90TiNiO80 to be Mg30TiNiO32" +mp-1037467,Mg30TiNiO32,-6.4038429534,-2.9666856260000003,0.0646140585,0.0646140585,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Ti, expected Mg110TiNiO72 to be Mg30TiNiO32" +mp-1031881,Mg6TiNiO8,-6.6486941181,-2.7205179502,0.2425598895,0.2425598895,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Ti, expected Mg6TiNiO12 to be Mg6TiNiO8" +mp-1031884,Mg6TiNiO8,-6.64047898,-2.7123028121,0.2507750277,0.2507750277,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Ti, expected Mg6TiNiO12 to be Mg6TiNiO8" +mp-2220307,MgTi8(NiO3)8,-8.0060480651,-2.4029788287,0.2259765401,0.2259765401,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220286,MgTi8(NiO3)8,-8.0733927959,-2.4703235594,0.1586318093,0.1586318093,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220227,MgTi8(NiO3)8,-8.0881901837,-2.4851209472,0.1438344215,0.1438344215,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220235,MgTi8(NiO3)8,-8.0525254156,-2.4494561792,0.1794991896,0.1794991896,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220239,MgTi8(NiO3)8,-8.0451858902,-2.4421166538,0.1868387149,0.1868387149,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220433,MgTi8(NiO3)8,-8.0106880449,-2.4076188085,0.2213365603,0.2213365603,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220251,MgTi8(NiO3)8,-8.0135042646,-2.4104350282,0.2185203405,0.2185203405,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220247,MgTi8(NiO3)8,-8.0577104729,-2.4546412365,0.1743141323,0.1743141323,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220256,MgTi8(NiO3)8,-8.0772912795,-2.4742220431,0.1547333257,0.1547333257,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220252,MgTi8(NiO3)8,-8.0861350654,-2.4830658289,0.1458895398,0.1458895398,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220257,MgTi8(NiO3)8,-8.0349864024,-2.431917166,0.1970382027,0.1970382027,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220259,MgTi8(NiO3)8,-8.0350310105,-2.4319617741,0.1969935947,0.1969935947,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220403,MgTi8(NiO3)8,-8.035166298,-2.4320970616,0.1968583071,0.1968583071,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220278,MgTi8(NiO3)8,-8.0697328924,-2.466663656,0.1622917127,0.1622917127,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220412,MgTi8(NiO3)8,-8.0872616332,-2.4841923967,0.144762972,0.144762972,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220281,MgTi8(NiO3)8,-8.0839013788,-2.4808321424,0.1481232264,0.1481232264,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220282,MgTi8(NiO3)8,-8.0776264134,-2.474557177,0.1543981918,0.1543981918,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2220447,MgTi8(NiO3)8,-8.0769451446,-2.4738759082,0.1550794605,0.1550794605,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Ni-O-Ti +mp-2217545,MgTi2(NiO3)2,-7.5086030791,-2.1784512872,0.536343152,0.536343152,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti +mp-2217663,MgTi2(NiO3)2,-7.6566785091,-2.3265267172,0.388267722,0.388267722,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti +mp-2217601,MgTi2(NiO3)2,-7.6020969345,-2.2719451427,0.4428492966,0.4428492966,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti +mp-2217974,MgTi2(NiO3)2,-7.5388054645,-2.2086536727,0.5061407666000001,0.5061407666000001,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti +mp-2217827,MgTi2(NiO3)2,-7.7093506582,-2.3791988663,0.335595573,0.335595573,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Ni-O-Ti +mp-2217560,MgTi2(NiO3)2,-7.66653964,-2.3363878481,0.3784065911,0.3784065911,GGA+U,P-1,AB2C6D2_aP11_2_a_i_3i_i:Mg-Ni-O-Ti,11.0,"Invalid WP multiplicities - AB2C6D2_aP11_2_a_i_6i_i:Mg-Ni-O-Ti, expected MgTi2(NiO6)2 to be MgTi2(NiO3)2" +mp-2217278,MgTi2(NiO3)2,-7.7092264236,-2.3790746317,0.3357198075,0.3357198075,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Ni-O-Ti,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Ni-O-Ti +mp-2217335,MgTi2(NiO3)2,-7.6735947845,-2.3434429927,0.3713514466,0.3713514466,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Ni-O-Ti,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Ni-O-Ti +mp-1034893,Mg14TiNiO16,-6.4892834319,-2.8884531576,0.120105912,0.120105912,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Ti, expected Mg18TiNiO20 to be Mg14TiNiO16" +mp-1034875,Mg14TiNiO16,-6.4799722797,-2.8791420054,0.1294170641,0.1294170641,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Ti, expected Mg30TiNiO32 to be Mg14TiNiO16" +mp-1218164,SrLaNd(CuO3)2,-7.0983734264,-2.6190830992,0.0647470967,0.0647470967,GGA,I4mm,A2BCD6E_tI22_107_2a_a_a_2a2b_a:Cu-La-Nd-O-Sr,11.0,A2BCD6E_tI22_107_2a_a_a_2a2b_a:Cu-La-Nd-O-Sr +mp-1522244,BaSrTbHfO6,-8.2472517298,-3.4592361507,0.0705768559,0.0705768559,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Hf-O-Sr-Tb,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Hf-O-Sr-Tb +mp-1522357,BaSrTbHfO6,-8.21477812,-3.4267625409,0.1030504657,0.1030504657,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sr-Tb +mp-1521114,Ba2TbHfO6,-8.2722693033,-3.4613055755,0.0466924447,0.0466924447,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Hf-O-Tb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Hf-O-Tb +mp-1521272,Ba2TbHfO6,-8.271606769,-3.4606430413,0.0473549789,0.0473549789,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-Tb +mp-1523019,Sr2TbHfO6,-8.2197372215,-3.4546697911,0.0869922179,0.0869922179,GGA,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Hf-O-Sr-Tb,40.0,AB6C2D_cP40_201_b_h_ad_c:Hf-O-Sr-Tb +mp-1523060,Sr2TbHfO6,-8.160705181,-3.3956377506,0.1460242584,0.1460242584,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-Tb +mp-1518311,BaPrDySnO6,-7.554207832,-3.0545706663,0.182768019,0.182768019,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Pr-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Pr-Sn +mp-1228253,Ba4LaPr(Cu3O7)2,-6.4362206519,-2.1576939366,0.0269668878,0.0269668878,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-La-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-La-O-Pr, expected Ba8LaPr(Cu5O13)2 to be Ba4LaPr(Cu3O7)2" +mp-1229252,Ba3La3Pr3Cu9O22,-6.8253172785,-2.3096254016,0.0625223818,0.0625223818,GGA,P1,A3B9C3D22E3_aP40_1_3a_9a_3a_22a_3a:Ba-Cu-La-O-Pr,40.0,A3B9C3D22E3_aP40_1_3a_9a_3a_22a_3a:Ba-Cu-La-O-Pr +mp-1519259,CaEuNbZnO6,-8.110702715,-2.7803244552,0.1895278955,0.1895278955,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Zn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Zn +mp-1518482,SrZrInSbO6,-7.267715768,-2.5879146359,0.1919562918,0.1919562918,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:In-O-Sb-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:In-O-Sb-Sr-Zr +mp-1523368,NaLaCeNiO6,-7.245564253,-2.4803752029,0.2046730094,0.2046730094,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Ce-La-Na-Ni-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Ce-La-Na-Ni-O +mp-1218666,Sr4La2Mn3(IrO6)3,-7.702978375,-2.3805872669,0.1281351435,0.1281351435,GGA+U,P-3m1,A3B2C3D18E4_hP30_164_ad_c_bd_3i_2d:Ir-La-Mn-O-Sr,30.0,"Invalid WP multiplicities - A3B2C3D18E4_hP30_164_a2d_c_bd_13i_2d:Ir-La-Mn-O-Sr, expected Sr4La2Mn3Ir5O78 to be Sr4La2Mn3(IrO6)3" +mp-1522402,BaSrTbSnO6,-7.091577881,-2.8983240194,0.0478373543,0.0478373543,GGA,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sn-Sr-Tb,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sn-Sr-Tb +mp-1522483,BaSrTbSnO6,-7.068008594,-2.8747547324,0.0714066413,0.0714066413,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sn-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sn-Sr-Tb +mp-1517981,Sr2TbSnO6,-7.065601354,-2.8952956411,0.0668074773,0.0668074773,GGA,Pn-3,A6BC2D_cP40_201_h_b_ad_c:O-Sn-Sr-Tb,40.0,A6BC2D_cP40_201_h_b_ad_c:O-Sn-Sr-Tb +mp-1517766,Sr2TbSnO6,-7.019939805,-2.8496340921,0.1124690263,0.1124690263,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Tb,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-Tb +mp-560285,Sr2GdCoCu2O7,-7.0502139277,-1.8664707538,0.4195103101,0.4195103101,GGA+U,Ima2,AB2CD7E2_oI52_46_b_c_a_b3c_c:Co-Cu-Gd-O-Sr,26.0,"Invalid WP multiplicities - AB2CD7E2_oI52_46_b_c_a_2b11c_c:Co-Cu-Gd-O-Sr, expected Sr2GdCo(CuO12)2 to be Sr2GdCoCu2O7" +mp-1209149,Sr2DyCu2(BiO4)2,-6.4196866863,-2.1904416839,0.089136053,0.089136053,GGA,Cccm,A2B2CD8E2_oC60_66_l_l_e_2g2l_l:Bi-Cu-Dy-O-Sr,30.0,A2B2CD8E2_oC60_66_l_l_e_2g2l_l:Bi-Cu-Dy-O-Sr +mp-1208859,Sr2DyCu2(BiO4)2,-6.3977488173,-2.1685038149,0.111073922,0.111073922,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Dy-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Dy-O-Sr +mp-1518052,BaSrCeSnO6,-7.4351891373,-3.1120629702,0.0122256891,0.0122256891,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Ce-O-Sn-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Ce-O-Sn-Sr +mp-1517991,BaSrCeSnO6,-7.408787625,-3.0856614579,0.0386272014,0.0386272014,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ce-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ce-O-Sn-Sr +mp-1518792,SrEuCrSnO6,-8.140898214,-2.6119735294,0.1161230838,0.1161230838,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Cr-Eu-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Cr-Eu-O-Sn-Sr +mp-19116,Sr2CaMoO6,-7.5118813395,-2.9208444231,0.0,-0.04424165,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Ca-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Ca-Mo-O-Sr +mp-1179251,Sr2CaMoO6,-7.440282894,-2.8492459776,0.0715984455,0.0273567955,GGA+U,Pmm2,ABC6D2_oP20_25_ad_bc_ef2g2h_ef:Ca-Mo-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_oP20_25_ad_bc_2ef4g4h_2e2f:Ca-Mo-O-Sr, expected Sr4CaMoO11 to be Sr2CaMoO6" +mp-19100,Sr2CaMoO6,-7.446956078,-2.8559191616,0.0649252615,0.0206836115,GGA+U,Pmmn,ABC6D2_oP20_59_a_b_e2f_e:Ca-Mo-O-Sr,20.0,"Invalid WP multiplicities - ABC6D2_oP20_59_a_b_e4f_e:Ca-Mo-O-Sr, expected Sr2CaMoO10 to be Sr2CaMoO6" +mp-18962,Sr2CaMoO6,-7.439077095,-2.8480401786,0.0728042445,0.0285625945,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ca-Mo-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ca-Mo-O-Sr +mp-1228050,Ba3SrCa2(MoO6)2,-7.512883799,-2.8874246596,0.0199682691,0.0199682691,GGA+U,P-4m2,A3B2C2D12E_tP20_115_abc_g_g_2gl_d:Ba-Ca-Mo-O-Sr,20.0,"Invalid WP multiplicities - A3B2C2D12E_tP20_115_abc_g_g_4g2l_d:Ba-Ca-Mo-O-Sr, expected Ba3SrCa2(MoO12)2 to be Ba3SrCa2(MoO6)2" +mp-1228193,Ba3Sr(MoO4)4,-8.0679973917,-2.6523291378,0.0057738146,0.0057738146,GGA+U,P1,A3B4C16D_aP24_1_3a_4a_16a_a:Ba-Mo-O-Sr,24.0,A3B4C16D_aP24_1_3a_4a_16a_a:Ba-Mo-O-Sr +mp-1227642,BaSrCaMoO6,-7.486118198,-2.8721331329,0.0397436272,0.0397436272,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Mo-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Mo-O-Sr +mp-1227697,BaSr3Ca2(MoO6)2,-7.462246209,-2.8597352183,0.0566253734,0.0566253734,GGA+U,R3m,AB2C2D12E3_hR60_160_a_2a_2a_4b_3a:Ba-Ca-Mo-O-Sr,20.0,"Invalid WP multiplicities - AB2C2D12E3_hR60_160_a_2a_2a_12b_3a:Ba-Ca-Mo-O-Sr, expected BaSr3Ca2(MoO18)2 to be BaSr3Ca2(MoO6)2" +mp-1227741,BaSr(MoO3)2,-8.008758021,-2.5107679329,0.0471563125,0.0471563125,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_d_b:Ba-Mo-O-Sr,10.0,AB2C6D_cF40_225_a_c_d_b:Ba-Mo-O-Sr +mp-2227258,Ba2GdMgMoO6,-8.1421503827,-2.683956333,0.297334995,0.297334995,GGA+U,P-1,A2BCDE6_aP11_2_i_d_a_b_3i:Ba-Gd-Mg-Mo-O,11.0,A2BCDE6_aP11_2_i_d_a_b_3i:Ba-Gd-Mg-Mo-O +mp-1182211,BaYbCo4O7,-7.0166842642,-1.8998630812,0.0530483904,0.0415988179,GGA+U,P1,AB4C7D_aP26_1_2a_8a_14a_2a:Ba-Co-O-Yb,,AB4C7D_aP26_1_2a_8a_14a_2a:Ba-Co-O-Yb +mp-1182402,BaYbCo4O7,-6.9768441965,-1.8600230136,0.0928884581,0.0814388856,GGA+U,Cc,AB4C7D_mC52_9_a_4a_7a_a:Ba-Co-O-Yb,,"Invalid WP multiplicities - AB4C7D_mC52_9_a_7a_14a_a:Ba-Co-O-Yb, expected BaYb(CoO2)7 to be BaYbCo4O7" +mp-22743,BaYbCo4O7,-7.0697326546,-1.9529114716,0.0,-0.0114495725,GGA+U,Pna2_1,AB4C7D_oP52_33_a_4a_7a_a:Ba-Co-O-Yb,,"Invalid WP multiplicities - AB4C7D_oP52_33_a_14a_21a_a:Ba-Co-O-Yb, expected BaYb(Co2O3)7 to be BaYbCo4O7" +mp-1844077,BaYbCo4O7,-6.9703547904,-1.8535336074,0.0993778642,0.0879282917,GGA+U,P3,AB4C7D_hP26_143_ab_2c2d_2c4d_ab:Ba-Co-O-Yb,,"Invalid WP multiplicities - AB4C7D_hP26_143_ab_2c4d_2c12d_ab:Ba-Co-O-Yb, expected BaYbCo7O19 to be BaYbCo4O7" +mp-22245,BaYbCo4O7,-6.9611966308,-1.8443754478,0.1085360238,0.0970864513,GGA+U,P31c,AB4C7D_hP26_159_b_ac_a2c_b:Ba-Co-O-Yb,,AB4C7D_hP26_159_b_ac_a2c_b:Ba-Co-O-Yb +mp-562270,BaYbCo4O7,-6.9908541796,-1.8740329966,0.078878475,0.0674289025,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Co-O-Yb,,"Invalid WP multiplicities - AB4C7D_hP26_186_b_2a2c_2a11c_b:Ba-Co-O-Yb, expected BaYbCo8O35 to be BaYbCo4O7" +mp-1233604,Ba4Yb8Mg(CoO5)4,-6.7212253197,-2.695276902,0.1082568819,0.1082568819,GGA+U,P1,A4B4CD20E8_aP37_1_4a_4a_a_20a_8a:Ba-Co-Mg-O-Yb,,A4B4CD20E8_aP37_1_4a_4a_a_20a_8a:Ba-Co-Mg-O-Yb +mp-1234861,Ba4Yb8Mg(CoO5)4,-6.72580568,-2.6998572623,0.1036765217,0.1036765217,GGA+U,P1,A4B4CD20E8_aP37_1_4a_4a_a_20a_8a:Ba-Co-Mg-O-Yb,,A4B4CD20E8_aP37_1_4a_4a_a_20a_8a:Ba-Co-Mg-O-Yb +mp-1233084,Ba4Yb8Mg(CoO5)4,-6.7074291368,-2.6814807191,0.1220530649,0.1220530649,GGA+U,Pm,A4B4CD20E8_mP37_6_2a2b_2a2b_a_2a2b8c_4a4b:Ba-Co-Mg-O-Yb,,"Invalid WP multiplicities - A4B4CD20E8_mP37_6_2a2b_2a2b_a_2a2b16c_4a4b:Ba-Co-Mg-O-Yb, expected Ba4Yb8Mg(CoO9)4 to be Ba4Yb8Mg(CoO5)4" +mp-1235012,Ba4Yb8Mg(CoO5)4,-6.7339908319,-2.7080424142,0.0954913698,0.0954913698,GGA+U,Pm,A4B4CD20E8_mP37_6_2a2b_2a2b_a_2a2b8c_4a4b:Ba-Co-Mg-O-Yb,,"Invalid WP multiplicities - A4B4CD20E8_mP37_6_2a2b_2a2b_a_2a2b16c_4a4b:Ba-Co-Mg-O-Yb, expected Ba4Yb8Mg(CoO9)4 to be Ba4Yb8Mg(CoO5)4" +mp-21083,BaYb2CoO5,-6.8455005683,-2.7521724737,0.0022277978,0.0022277978,GGA+U,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Yb,,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Yb +mp-2240191,BaNdMgCo2O5,-6.814163426,-2.0904152691,0.429240723,0.429240723,GGA+U,Pmm2,AB2CDE5_oP10_25_b_2c_a_b_2ac2d:Ba-Co-Mg-Nd-O,10.0,AB2CDE5_oP10_25_b_2c_a_b_2ac2d:Ba-Co-Mg-Nd-O +mp-2242118,BaNdMgCo2O5,-6.875102904,-2.1513547471,0.368301245,0.368301245,GGA+U,Pmm2,AB2CDE5_oP10_25_a_2d_a_a_2b2cd:Ba-Co-Mg-Nd-O,10.0,AB2CDE5_oP10_25_a_2d_a_a_2b2cd:Ba-Co-Mg-Nd-O +mp-2223610,BaNdMgCo2O5,-6.57862447,-1.8548763131,0.664779679,0.664779679,GGA+U,Pmmm,AB2CDE5_oP10_47_g_i_b_h_ajk:Ba-Co-Mg-Nd-O,10.0,AB2CDE5_oP10_47_g_i_b_h_ajk:Ba-Co-Mg-Nd-O +mp-1210019,Nd4MgCo,-4.7272336988,-0.0970357696,0.0,-0.0188127983,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Mg-Nd,24.0,ABC4_cF96_216_e_e_efg:Co-Mg-Nd +mp-2240082,BaNdMg(CoO3)2,-6.9738791027,-2.2298636227,0.2778995936,0.2778995936,GGA+U,Pmm2,AB2CDE6_oP11_25_a_2d_a_a_2b2c2d:Ba-Co-Mg-Nd-O,11.0,AB2CDE6_oP11_25_a_2d_a_a_2b2c2d:Ba-Co-Mg-Nd-O +mp-2223041,BaNdMg(CoO3)2,-6.6563870473,-1.9123715673,0.5953916491,0.5953916491,GGA+U,Pmmm,AB2CDE6_oP11_47_e_j_a_f_cdil:Ba-Co-Mg-Nd-O,11.0,"Invalid WP multiplicities - AB2CDE6_oP11_47_e_j_a_f_cd2i2l:Ba-Co-Mg-Nd-O, expected BaNdMg(CoO5)2 to be BaNdMg(CoO3)2" +mp-2224174,BaNdMg(CoO3)2,-6.6494555864,-1.9054401064,0.60232311,0.60232311,GGA+U,Pmmm,AB2CDE6_oP11_47_f_j_a_e_cdil:Ba-Co-Mg-Nd-O,11.0,"Invalid WP multiplicities - AB2CDE6_oP11_47_f_j_a_e_cd2i2l:Ba-Co-Mg-Nd-O, expected BaNdMg(CoO5)2 to be BaNdMg(CoO3)2" +mp-2230098,Ba2Nd2MgCo4O11,-7.0822367875,-2.1911681976,0.2619673105,0.2619673105,GGA+U,Pmm2,A2B4CD2E11_oP20_25_e_2b2d_a_e_2ab2c2d2f:Ba-Co-Mg-Nd-O,20.0,"Invalid WP multiplicities - A2B4CD2E11_oP20_25_e_2b2d_a_e_2ab2c2d4f:Ba-Co-Mg-Nd-O, expected Ba2Nd2MgCo4O15 to be Ba2Nd2MgCo4O11" +mp-2230008,Ba2Nd2MgCo4O11,-7.055734408,-2.1646658181,0.28846969,0.28846969,GGA+U,Pmmm,A2B4CD2E11_oP20_47_n_ik_b_p_aefjly:Ba-Co-Mg-Nd-O,20.0,A2B4CD2E11_oP20_47_n_ik_b_p_aefjly:Ba-Co-Mg-Nd-O +mp-567369,Nd4Mg3Co2,-4.33876444,-0.1065349433,0.0,-0.0072074623,GGA,P2/m,A2B3C4_mP9_10_m_am_2n:Co-Mg-Nd,9.0,"Invalid WP multiplicities - A2B3C4_mP9_10_m_am_3n:Co-Mg-Nd, expected Nd6Mg3Co2 to be Nd4Mg3Co2" +mp-1208792,Sr2PrTlCu2O7,-6.3095733262,-2.205898701,0.011396977,0.011396977,GGA,P4/mmm,A2B7CD2E_tP13_123_h_ahi_b_g_c:Cu-O-Pr-Sr-Tl,13.0,A2B7CD2E_tP13_123_h_ahi_b_g_c:Cu-O-Pr-Sr-Tl +mp-1208789,Sr2Pr2Tl2Cu3O10,-6.2721974132,-2.0916399483,0.08537818,0.08537818,GGA,I4/mmm,A3B10C2D2E2_tI38_139_ae_c2eg_e_e_e:Cu-O-Pr-Sr-Tl,19.0,A3B10C2D2E2_tI38_139_ae_c2eg_e_e_e:Cu-O-Pr-Sr-Tl +mp-41414,BaLaMgBiO6,-6.827639585,-2.6300512357,0.095708414,0.095708414,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-La-Mg-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-La-Mg-O +mp-2240254,Ba2LaMgBiO6,-6.6910189091,-2.7005772334,0.1924956525,0.1924956525,GGA,Cm,A2BCDE6_mC22_8_2a_a_a_a_2a2b:Ba-Bi-La-Mg-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a3b:Ba-Bi-La-Mg-O, expected Ba2LaMgBiO8 to be Ba2LaMgBiO6" +mp-2239886,Ba2LaMgBiO6,-6.5901074491,-2.5996657734,0.2934071125,0.2934071125,GGA,C2/m,A2BCDE6_mC22_12_i_c_b_a_ij:Ba-Bi-La-Mg-O,11.0,A2BCDE6_mC22_12_i_c_a_b_ij:Ba-Bi-La-Mg-O +mp-2222923,BaPrMg(CoO3)2,-7.1156756518,-2.3705003243,0.1267059169,0.1267059169,GGA+U,P1,AB2CD6E_aP11_1_a_2a_a_6a_a:Ba-Co-Mg-O-Pr,11.0,AB2CD6E_aP11_1_a_2a_a_6a_a:Ba-Co-Mg-O-Pr +mp-2222876,BaPrMg(CoO3)2,-6.9659235764,-2.2207482489,0.2764579923,0.2764579923,GGA+U,Pmm2,AB2CD6E_oP11_25_a_2d_a_2b2c2d_a:Ba-Co-Mg-O-Pr,11.0,AB2CD6E_oP11_25_a_2d_a_2b2c2d_a:Ba-Co-Mg-O-Pr +mp-2240130,BaPrMg(CoO3)2,-6.8351683173,-2.0899929898,0.4072132514,0.4072132514,GGA+U,Pmm2,AB2CD6E_oP11_25_b_2c_a_2a2c2d_b:Ba-Co-Mg-O-Pr,11.0,AB2CD6E_oP11_25_b_2c_a_2a2c2d_b:Ba-Co-Mg-O-Pr +mp-2240009,BaPrMg(CoO3)2,-6.8703426164,-2.1251672889,0.3720389523,0.3720389523,GGA+U,Pmm2,AB2CD6E_oP11_25_b_2c_a_2a2c2d_b:Ba-Co-Mg-O-Pr,11.0,AB2CD6E_oP11_25_b_2c_a_2a2c2d_b:Ba-Co-Mg-O-Pr +mp-645130,Pr4MgCo,-4.7214492613,-0.0827457838,0.0,-0.0151145908,GGA,F-43m,ABC4_cF96_216_e_e_efg:Co-Mg-Pr,24.0,"Invalid WP multiplicities - ABC4_cF96_216_e_e_4e4f4g:Co-Mg-Pr, expected Pr16MgCo to be Pr4MgCo" +mp-2210624,PrMgCoO3,-6.5076920783,-1.7860971227,1.0026941143,1.0026941143,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Pr,6.0,ABC3D_tP6_123_b_d_ae_c:Co-Mg-O-Pr +mp-2239942,PrMgCoO3,-6.6862948667,-1.964699911,0.8240913259,0.8240913259,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Co-Mg-O-Pr,6.0,ABC3D_hR18_160_a_a_b_a:Co-Mg-O-Pr +mp-1207236,Pr4Mg3Co2,-4.3295940078,-0.0916941456,0.0,-0.0002641068,GGA,P2/m,A2B3C4_mP9_10_m_am_2n:Co-Mg-Pr,9.0,A2B3C4_mP9_10_m_am_2n:Co-Mg-Pr +mp-1517171,PrMg(CoO3)4,-6.5420480967,-1.3101191233,0.2878258638,0.2878258638,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Co-Mg-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Co-Mg-O-Pr, expected PrMg(Co2O9)2 to be PrMg(CoO3)4" +mp-1519745,BaNdDyFeO6,-7.776125156,-2.831718887,0.1919922035,0.1919922035,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Dy-Fe-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Dy-Fe-Nd-O +mp-1517512,EuNbFeSnO6,-8.689228422,-2.4374252048,0.1319541813,0.1319541813,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Sn +mp-1222186,Mg8Al4Cu2Si7,-3.5435023471,-0.0215888581,0.1030677067,0.1030677067,GGA,Pm,A4B2C8D7_mP21_6_4a_ab_2a6b_4a3b:Al-Cu-Mg-Si,21.0,A4B2C8D7_mP21_6_4a_ab_2a6b_4a3b:Al-Cu-Mg-Si +mp-2215789,MgAl2(CuO3)2,-6.5295965473,-2.2595986093,0.2312207668,0.2312207668,GGA,P3m1,A2B2CD6_hP11_156_2b_ac_a_2a2b2c:Al-Cu-Mg-O,11.0,A2B2CD6_hP11_156_2b_ac_a_2a2b2c:Al-Cu-Mg-O +mp-2215794,MgAl2(CuO3)2,-6.4576166291,-2.1876186911,0.303200685,0.303200685,GGA,P3m1,A2B2CD6_hP11_156_2a_bc_a_2a2b2c:Al-Cu-Mg-O,11.0,A2B2CD6_hP11_156_2a_bc_a_2a2b2c:Al-Cu-Mg-O +mp-1036652,Mg14AlCuO16,-6.3422365516,-2.9236202209,0.0526024909,0.0526024909,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Cu-Mg-O, expected Mg18AlCuO20 to be Mg14AlCuO16" +mp-1036556,Mg14AlCuO16,-6.3275155109,-2.9088991803,0.0673235315,0.0673235315,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Cu-Mg-O, expected Mg30AlCuO32 to be Mg14AlCuO16" +mp-2228636,MgAl4(CuO4)2,-6.8047365873,-2.5144361607,0.3501247297,0.3501247297,GGA,C2,A4B2CD8_mC30_5_abc_c_a_4c:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_abc_c_a_5c:Al-Cu-Mg-O, expected MgAl4(CuO5)2 to be MgAl4(CuO4)2" +mp-2232986,MgAl4(CuO4)2,-6.8504628907,-2.560162464,0.3043984263,0.3043984263,GGA,C2,A4B2CD8_mC30_5_abc_c_a_4c:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_abc_c_a_5c:Al-Cu-Mg-O, expected MgAl4(CuO5)2 to be MgAl4(CuO4)2" +mp-2228730,MgAl4(CuO4)2,-6.7395880327,-2.449287606,0.4152732843,0.4152732843,GGA,Cm,A4B2CD8_mC30_8_2ab_2a_a_4a2b:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_abc_c_a_5c:Al-Cu-Mg-O, expected MgAl4(CuO5)2 to be MgAl4(CuO4)2" +mp-2226815,MgAl4(CuO4)2,-6.654928236,-2.3646278093,0.499933081,0.499933081,GGA,C2/m,A4B2CD8_mC30_12_aci_e_b_2ij:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_12_bci_f_a_3i2j:Al-Cu-Mg-O, expected MgAl4(CuO7)2 to be MgAl4(CuO4)2" +mp-2228117,MgAl4(CuO4)2,-6.8580742733,-2.5677738467,0.2967870437,0.2967870437,GGA,Imm2,A4B2CD8_oI30_44_cd_ab_a_2c2d:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_oI30_44_2c2d_ab_a_3c4d:Al-Cu-Mg-O, expected MgAl8(CuO7)2 to be MgAl4(CuO4)2" +mp-2227038,MgAl4(CuO4)2,-6.8817778313,-2.5914774047,0.2730834857,0.2730834857,GGA,R-3m,A4B2CD8_hR45_166_ad_c_b_ch:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_hR45_166_a2d_c_b_2c2h:Al-Cu-Mg-O, expected MgAl7(CuO8)2 to be MgAl4(CuO4)2" +mp-2226796,MgAl4(CuO4)2,-6.1870583767,-1.89675795,0.9678029403,0.9678029403,GGA,F-43m,A4B2CD8_cF60_216_e_ac_b_2e:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_cF60_216_e_ac_b_5e:Al-Cu-Mg-O, expected MgAl4(CuO10)2 to be MgAl4(CuO4)2" +mp-1038310,Mg30AlCuO32,-6.3311925566,-2.9851422009,0.0299893046,0.0299893046,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Cu-Mg-O, expected Mg110AlCuO72 to be Mg30AlCuO32" +mp-1038308,Mg30AlCuO32,-6.3367152075,-2.9906648519,0.0244666537,0.0244666537,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Cu-Mg-O, expected Mg90AlCuO80 to be Mg30AlCuO32" +mp-2242052,MgAl2(CuO2)4,-6.0574976967,-1.7200464913,0.3581360083,0.3581360083,GGA,C2/m,A2B4CD8_mC30_12_i_ace_b_2ij:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_i_bcf_a_4i2j:Al-Cu-Mg-O, expected MgAl2(CuO4)4 to be MgAl2(CuO2)4" +mp-2226987,MgAl2(CuO2)4,-5.7957583473,-1.458307142,0.6198753577,0.6198753577,GGA,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Al-Cu-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_cF60_216_ac_e_b_5e:Al-Cu-Mg-O, expected MgAl2(CuO5)4 to be MgAl2(CuO2)4" +mp-1033139,Mg6AlCuO8,-6.3442989512,-2.7805506706000003,0.1178544536,0.1178544536,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Cu-Mg-O, expected Mg6AlCuO12 to be Mg6AlCuO8" +mp-1033144,Mg6AlCuO8,-6.2980284431,-2.7342801625,0.1641249617,0.1641249617,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Cu-Mg-O, expected Mg6AlCuO12 to be Mg6AlCuO8" +mp-695202,Mg4Al9Cu(SiO4)9,-7.8364243598,-3.2411842714,0.0325002305,0.0325002305,GGA,P2,A9BC4D36E9_mP59_3_a2b2d2e_c_2e_18e_a4e:Al-Cu-Mg-O-Si,59.0,"Invalid WP multiplicities - A9BC4D36E9_mP59_3_a2b2c4e_d_4e_35e_a7e:Al-Cu-Mg-O-Si, expected Mg8Al13Cu(Si3O14)5 to be Mg4Al9Cu(SiO4)9" +mp-1522792,BaNaSrMnO6,-6.417329632,-2.0400155074,0.1533208218,0.1533208218,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Mn-Na-O-Sr +mp-886902,CeSmO2,-8.2972592187,-3.1609960406,0.0658678926,0.0658678926,GGA,Imm2,AB2C_oI16_44_ab_2a2b_ab:Ce-O-Sm,8.0,AB2C_oI16_44_ab_2a2b_ab:Ce-O-Sm +mp-755070,CeSmO2,-8.3029093625,-3.1666461844,0.0602177489,0.0602177489,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Ce-O-Sm,8.0,AB2C_tI16_141_a_e_b:Ce-O-Sm +mp-754040,CeSmO2,-8.30272347,-3.1664602919,0.0604036414,0.0604036414,GGA,R-3m,AB2C_hR12_166_a_c_b:Ce-O-Sm,4.0,AB2C_hR12_166_a_c_b:Ce-O-Sm +mp-753792,Ce5Sm2O13,-9.047499241,-3.8770206764,0.0356417576,0.0356417576,GGA,R3m,A5B13C2_hR60_160_5a_13a_2a:Ce-O-Sm,20.0,A5B13C2_hR60_160_5a_13a_2a:Ce-O-Sm +mp-676636,Ce9SmO20,-9.0803845597,-3.8453791345,0.0128940202,0.0128940202,GGA,P-1,A9B20C_aP30_2_a4i_10i_c:Ce-O-Sm,30.0,"Invalid WP multiplicities - A9B20C_aP30_2_a7i_19i_c:Ce-O-Sm, expected Ce15SmO38 to be Ce9SmO20" +mp-1211145,LiSm(MoO4)2,-8.1539574188,-2.4962641761,0.027902649,0.027902649,GGA+U,P2/c,AB2C8D_mP24_13_e_g_4g_f:Li-Mo-O-Sm,24.0,AB2C8D_mP24_13_e_g_4g_f:Li-Mo-O-Sm +mp-1223060,Li2CeSm(MoO4)4,-7.8607696,-2.1524720649,0.3852158333,0.3852158333,GGA+U,P-4,AB2C4D16E_tP24_81_a_g_bcg_4h_d:Ce-Li-Mo-O-Sm,24.0,"Invalid WP multiplicities - AB2C4D16E_tP24_81_a_g_bcg_15h_d:Ce-Li-Mo-O-Sm, expected Li2CeSm(MoO15)4 to be Li2CeSm(MoO4)4" +mp-1238771,Li2CeSm(MoO4)4,-8.1930661725,-2.4847686374,0.0529192608,0.0529192608,GGA+U,P-4,AB2C4D16E_tP24_81_a_g_bcg_4h_d:Ce-Li-Mo-O-Sm,24.0,"Invalid WP multiplicities - AB2C4D16E_tP24_81_a_g_bcg_15h_d:Ce-Li-Mo-O-Sm, expected Li2CeSm(MoO15)4 to be Li2CeSm(MoO4)4" +mp-1235612,LiSm4(Mo2O7)2,-8.6277121983,-2.8268639459,0.009479718,0.009479718,GGA+U,P1,AB4C14D4_aP23_1_a_4a_14a_4a:Li-Mo-O-Sm,23.0,AB4C14D4_aP23_1_a_4a_14a_4a:Li-Mo-O-Sm +mp-1236208,LiSm4(Mo2O7)2,-8.5961203426,-2.7952720903,0.0410715736,0.0410715736,GGA+U,R3,AB4C14D4_hR69_146_a_ab_2a4b_ab:Li-Mo-O-Sm,23.0,"Invalid WP multiplicities - AB4C14D4_hR69_146_a_ab_2a11b_a2b:Li-Mo-O-Sm, expected LiSm7Mo4O35 to be LiSm4(Mo2O7)2" +mp-754306,Ce4SmO9,-9.1092800814,-3.8970557131,0.0275080265,0.0275080265,GGA,Imm2,A4B9C_oI28_44_2c_a4c_b:Ce-O-Sm,14.0,"Invalid WP multiplicities - A4B9C_oI28_44_3c_a6c_b:Ce-O-Sm, expected Ce6SmO13 to be Ce4SmO9" +mp-752400,Ce2Sm2O7,-8.9028550445,-3.8182939937,0.0807466428,0.0807466428,GGA,Fd-3m,A2B7C2_cF88_227_d_af_c:Ce-O-Sm,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_d_2a3f_c:Ce-O-Sm, expected CeSmO10 to be Ce2Sm2O7" +mp-1226911,Ce4SmO10,-8.955523328,-3.7610013368,0.0262336751,0.0262336751,GGA,I4/m,A4B10C_tI30_87_h_di_a:Ce-O-Sm,15.0,"Invalid WP multiplicities - A4B10C_tI30_87_h_2d2i_a:Ce-O-Sm, expected Ce4SmO20 to be Ce4SmO10" +mp-1078292,CdCu2SnS4,-4.3697624525,-0.6601781497,0.0,-0.0053757494,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Cd-Cu-S-Sn,8.0,AB2C4D_tI16_121_a_d_i_b:Cd-Cu-S-Sn +mp-1226867,CdCu2Sn3S8,-4.5380389807,-0.6636377236000001,0.0179273093,0.0179273093,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cd-Cu-S-Sn,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Cd-Cu-S-Sn, expected CdCu2Sn3S16 to be CdCu2Sn3S8" +mp-1215746,ZnCdCu4(SnS4)2,-4.4093593919,-0.6787217234,0.0052469,0.0052469,GGA,P-42m,AB4C8D2E_tP16_111_a_m_2n_cd_b:Cd-Cu-S-Sn-Zn,16.0,"Invalid WP multiplicities - AB4C8D2E_tP16_111_a_m_7n_cd_b:Cd-Cu-S-Sn-Zn, expected ZnCdCu4(SnS14)2 to be ZnCdCu4(SnS4)2" +mp-1522267,BaNaPrFeO6,-6.777695898,-2.1604399514,0.1468915179,0.1468915179,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Na-O-Pr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Na-O-Pr +mp-1522308,BaSrCeTiO6,-8.2324342185,-3.5207160353,0.054612735,0.054612735,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ce-O-Sr-Ti,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ce-O-Sr-Ti, expected BaSrCeTiO12 to be BaSrCeTiO6" +mp-1522283,BaSrCeTiO6,-8.231679777,-3.5199615937,0.0553671765,0.0553671765,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Ti,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Ti +mp-1522329,BaSrCeTiO6,-8.217613749,-3.5058955658,0.0694332045,0.0694332045,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Ti +mp-1516411,NdTi4SnO12,-8.6067330144,-3.0667356873,0.1786650573,0.1786650573,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Nd-O-Sn-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Nd-O-Sn-Ti, expected NdTi4SnO18 to be NdTi4SnO12" +mp-778219,Li4Cr3Co3(SnO8)2,-7.1570708961,-1.9754298121,0.0335208356,0.0335208356,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cr-Li-O-Sn,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cr-Li-O-Sn +mp-1177516,Li4Cr3Co3(SnO8)2,-7.1353008646,-1.9536597807,0.055290867,0.055290867,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-Sn, expected Li4Cr3Co3(SnO10)2 to be Li4Cr3Co3(SnO8)2" +mp-774884,Li4Cr2Co3Sn3O16,-6.9105045479000005,-1.9304161644,0.0734890722,0.0734890722,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Co-Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Co-Cr-Li-O-Sn, expected Li4Cr2Co3Sn3O20 to be Li4Cr2Co3Sn3O16" +mp-775520,Li4Cr3Co2Sn3O16,-7.0620121075,-1.9910405214,0.1066855124,0.1066855124,GGA+U,P1,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cr-Li-O-Sn,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cr-Li-O-Sn +mp-774701,Li4Cr3Co2Sn3O16,-7.0418511371,-1.970879551,0.1268464827,0.1268464827,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Cr-Li-O-Sn,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Cr-Li-O-Sn, expected Li4Cr3Co2Sn3O20 to be Li4Cr3Co2Sn3O16" +mp-1214725,Ba2CaFe2CoF14,-6.1544325938,-3.3218018177,0.006697427,0.006697427,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Co-F-Fe,40.0,A2BCD14E2_mC80_15_f_e_c_7f_f:Ba-Ca-Co-F-Fe +mp-1047947,BaCaCoF7,-5.7698221755,-3.3284976367,0.0515753943,0.0515753943,GGA+U,P2_1/c,ABCD7_mP40_14_e_e_e_7e:Ba-Ca-Co-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_14_e_e_e_23e:Ba-Ca-Co-F, expected BaCaCoF23 to be BaCaCoF7" +mp-18554,Mn4Be3Si3SeO12,-8.2715008222,-2.7498299584,0.0,-0.063025574,GGA+U,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Mn-O-Se-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Mn-O-Se-Si +mp-697817,Na2Sr6ZnFe6F34,-5.9182795799,-3.2682353539,0.0065143657,0.0065143657,GGA+U,P1,A34B6C2D6E_aP98_1_68a_12a_4a_12a_2a:F-Fe-Na-Sr-Zn,98.0,A34B6C2D6E_aP98_1_68a_12a_4a_12a_2a:F-Fe-Na-Sr-Zn +mp-556802,NaSrFeF6,-5.8411704703,-3.2910689412,0.0,-0.0170283121,GGA+U,P2_12_12_1,A6BCD_oP36_19_6a_a_a_a:F-Fe-Na-Sr,36.0,"Invalid WP multiplicities - A6BCD_oP36_19_18a_a_a_a:F-Fe-Na-Sr, expected NaSrFeF18 to be NaSrFeF6" +mp-15548,Na2ZnFeF7,-5.1316077934,-2.790228868,0.0,-0.0003749244,GGA+U,C2/c,A7BC2D_mC176_15_14f_cef_abde2f_2f:F-Fe-Na-Zn,88.0,"Invalid WP multiplicities - A7BC2D_mC176_15_17f_aef_bcde2f_2f:F-Fe-Na-Zn, expected Na4Zn2Fe2F17 to be Na2ZnFeF7" +mp-581085,Na7Sr2Fe7F32,-5.7393518053,-2.9665572347,0.0139068682,0.0139068682,GGA+U,Fddd,A32B7C7D2_oF384_70_ef7h_ach_beh_e:F-Fe-Na-Sr,96.0,A32B7C7D2_oF384_70_ef7h_ach_beh_e:F-Fe-Na-Sr +mp-1518021,BaCaEuNbO6,-8.591545071,-3.1952436783,0.0870058131,0.0870058131,GGA,P-1,ABCDE6_aP20_2_i_i_ah_be_6i:Ba-Ca-Eu-Nb-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_i_ah_be_12i:Ba-Ca-Eu-Nb-O, expected BaCaEuNbO12 to be BaCaEuNbO6" +mp-1518007,BaCaEuNbO6,-8.5965908787,-3.200289486,0.0819600053,0.0819600053,GGA,P222,ABCDE6_oP40_16_abcf_degh_u_u_6u:Ba-Ca-Eu-Nb-O,40.0,ABCDE6_oP40_16_abcf_degh_u_u_6u:Ba-Ca-Eu-Nb-O +mp-1516493,BaCaEuNbO6,-8.5924675475,-3.1961661548,0.0860833366,0.0860833366,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Ca-Eu-Nb-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Ca-Eu-Nb-O, expected BaCaEu2NbO12 to be BaCaEuNbO6" +mp-1518229,BaCaEuNbO6,-8.494738051,-3.0984366583,0.1838128331,0.1838128331,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Eu-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Eu-Nb-O +mp-1516524,BaCaEuNbO6,-8.483801846,-3.0875004533,0.1947490381,0.1947490381,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ca-Eu-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ca-Eu-Nb-O +mp-1517259,NaSrTbBiO6,-6.493130584,-2.3764299596000003,0.0785312336,0.0785312336,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Bi-Na-O-Sr-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_ab_6m_2c2d_f:Bi-Na-O-Sr-Tb, expected NaSr2TbBiO12 to be NaSrTbBiO6" +mp-1517196,NaSrTbBiO6,-6.429310145,-2.3126095206,0.1423516726,0.1423516726,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Tb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Tb +mp-556868,SrCu2Te2(ClO3)2,-5.4616399981,-1.6499689083,0.0,-0.0014430779,GGA,P2_1,A2B2C6DE2_mP26_4_2a_2a_6a_a_2a:Cl-Cu-O-Sr-Te,26.0,"Invalid WP multiplicities - A2B2C6DE2_mP26_4_3a_4a_12a_a_4a:Cl-Cu-O-Sr-Te, expected SrCu4Te4(ClO4)3 to be SrCu2Te2(ClO3)2" +mp-1520970,Sr2TbCrO6,-7.594846172,-2.8601928976,0.1552060526,0.1552060526,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Tb,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Tb +mp-1522060,BaSrTbCrO6,-7.62222523,-2.8646238069,0.1516834546,0.1516834546,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sr-Tb +mp-1228731,Ba2Li3La3(MoO4)8,-8.1645186452,-2.551352407,0.0204417233,0.0204417233,GGA+U,P1,A2B3C3D8E32_aP48_1_2a_3a_3a_8a_32a:Ba-La-Li-Mo-O,48.0,A2B3C3D8E32_aP48_1_2a_3a_3a_8a_32a:Ba-La-Li-Mo-O +mp-729006,LiLa(MoO4)2,-8.2115468077,-2.5357351509,0.0081902044,0.0081902044,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:La-Li-Mo-O,96.0,ABC2D8_oP96_61_c_c_2c_8c:La-Li-Mo-O +mp-1185315,Li3La3(MoO6)2,-7.9736267585,-2.894309025,0.0,-0.0166569049,GGA+U,Ia-3d,A3B3C2D12_cI160_230_c_d_a_h:La-Li-Mo-O,80.0,A3B3C2D12_cI160_230_c_d_a_h:La-Li-Mo-O +mp-19377,LiLa2MoO6,-8.296819828,-3.0661478826,0.0,-0.0021144733,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:La-Li-Mo-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_5e:La-Li-Mo-O, expected LiLa2MoO10 to be LiLa2MoO6" +mp-2219864,Ce2MgNb2O8,-8.6968814715,-3.062837,0.2909422594,0.2909422594,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Ce-Mg-Nb-O,13.0,A2BC2D8_mC26_5_ab_a_ab_4c:Ce-Mg-Nb-O +mp-1099105,BaCeMg14,-1.7891568738,0.1018421759,0.1450645657,0.1450645657,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Ce-Mg, expected BaCeMg18 to be BaCeMg14" +mp-1026813,BaCeMg14,-1.8039079625,0.0870910872,0.130313477,0.130313477,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Ce-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Ce-Mg, expected BaCeMg26 to be BaCeMg14" +mp-2217812,Ba2CeMgNbO6,-7.5931958927,-2.9429453116,0.2306201224,0.2306201224,GGA,Cm,A2BCDE6_mC22_8_2a_a_a_a_2a2b:Ba-Ce-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a3b:Ba-Ce-Mg-Nb-O, expected Ba2CeMgNbO8 to be Ba2CeMgNbO6" +mp-2217772,Ba2CeMgNbO6,-7.4059643382,-2.755713757,0.4178516769,0.4178516769,GGA,C2/m,A2BCDE6_mC22_12_i_b_a_c_ij:Ba-Ce-Mg-Nb-O,11.0,A2BCDE6_mC22_12_i_a_b_c_ij:Ba-Ce-Mg-Nb-O +mp-1026718,CeMg14Nb,-2.3154506219,0.0869440591,0.1054127095,0.1054127095,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Nb, expected CeMg18Nb to be CeMg14Nb" +mp-1026744,CeMg14Nb,-2.2626896256,0.1397050553,0.1581737058,0.1581737058,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Nb, expected CeMg26Nb to be CeMg14Nb" +mp-1017452,CeMg6Nb,-3.05095802,0.1535512919,0.1739265226,0.1739265226,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Nb,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Nb +mp-1017460,CeMg6Nb,-3.0197294438,0.1847798681,0.2051550988,0.2051550988,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Nb,8.0,AB6C_oC16_38_a_2bde_a:Ce-Mg-Nb +mp-1017457,BaCeMg6,-2.0354973112,0.1462207381,0.2014588268,0.2014588268,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Ce-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Ce-Mg, expected BaCeMg12 to be BaCeMg6" +mp-1517547,BaNaSnBiO6,-6.067608494,-1.9904391454,0.101062787,0.101062787,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Sn +mp-1173263,Sr2MnBiPbO6,-6.8209296157,-2.2959959188,0.0,-0.008561605,GGA+U,P2,ABC6DE2_mP22_3_e_ac_6e_e_2e:Bi-Mn-O-Pb-Sr,44.0,ABC6DE2_mP22_3_e_ad_6e_e_2e:Bi-Mn-O-Pb-Sr +mp-1228169,Ba4NbCo2MoO12,-7.706363838,-2.5963760863000003,0.0269131021,0.0269131021,GGA+U,P4/mmm,A4B2CDE12_tP20_123_i_ad_b_c_ghjk:Ba-Co-Mo-Nb-O,20.0,"Invalid WP multiplicities - A4B2CDE12_tP20_123_i_ad_b_c_2g2h4j4k:Ba-Co-Mo-Nb-O, expected Ba4NbCo2MoO40 to be Ba4NbCo2MoO12" +mp-1228195,Ba7Nb4MoO20,-8.2515481334,-3.1385022248,0.0087598261,0.0087598261,GGA+U,P3m1,A7BC4D20_hP32_156_2a2b3c_a_a2bc_ab6d:Ba-Mo-Nb-O,32.0,A7BC4D20_hP32_156_2a2b3c_a_a2bc_ab6d:Ba-Mo-Nb-O +mp-555087,Ba5Si(Cl3O2)2,-6.0159803209,-3.14734485,0.0,-0.006527702,GGA,C2/c,A5B6C4D_mC64_15_e2f_ce2f_2f_e:Ba-Cl-O-Si,32.0,"Invalid WP multiplicities - A5B6C4D_mC64_15_2e5f_2a2e6f_7f_e:Ba-Cl-O-Si, expected Ba12Si(Cl8O7)2 to be Ba5Si(Cl3O2)2" +mp-558848,Ba2MnSi2ClO7,-7.7167875079,-3.0763291332,0.0,-0.000353487,GGA+U,P4bm,A2BCD7E2_tP26_100_c_a_a_bcd_c:Ba-Cl-Mn-O-Si,52.0,A2BCD7E2_tP26_100_c_a_a_bcd_c:Ba-Cl-Mn-O-Si +mp-1228733,Ba6Mn4Si12Cl3O34,-7.9534063256,-3.0890206759,0.0185810524,0.0185810524,GGA+U,Pm,A6B3C4D34E12_mP59_6_2a4b_3b_4a_6a4b12c_4a4c:Ba-Cl-Mn-O-Si,59.0,A6B3C4D34E12_mP59_6_2a4b_3b_4a_6a4b12c_4a4c:Ba-Cl-Mn-O-Si +mp-1519554,CaEuHfTiO6,-9.580598038,-3.6010565386,0.0925478675,0.0925478675,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Ti +mp-1218621,Sr4Mn2Nb4Bi4O23,-7.874321877,-2.6142402166,0.0721687825,0.0721687825,GGA+U,C2/m,A4B2C4D23E4_mC74_12_j_i_j_abc3g3h2j_j:Bi-Mn-Nb-O-Sr,37.0,"Invalid WP multiplicities - A4B2C4D23E4_mC74_12_j_i_j_abc6g6h2j_j:Bi-Mn-Nb-O-Sr, expected Sr4Mn2Nb4Bi4O35 to be Sr4Mn2Nb4Bi4O23" +mp-1522554,SrMnNbBiO6,-7.874607556,-2.4272640377,0.200223544,0.200223544,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Bi-Mn-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Bi-Mn-Nb-O-Sr +mp-1045649,Ba2CaCuAg2F14,-4.819785993,-2.7013572939,0.0185802169,0.0185802169,GGA,Cc,A2B2CDE14_mC80_9_2a_2a_a_a_14a:Ag-Ba-Ca-Cu-F,40.0,"Invalid WP multiplicities - A2B2CDE14_mC80_15_f_f_e_c_24f:Ag-Ba-Ca-Cu-F, expected Ba2CaCuAg2F48 to be Ba2CaCuAg2F14" +mp-1041316,BaCaAgF7,-5.0289368953,-3.0151885357,0.0279682316,0.0279682316,GGA,P2_1/c,ABCD7_mP40_14_e_e_e_7e:Ag-Ba-Ca-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_14_e_e_e_23e:Ag-Ba-Ca-F, expected BaCaAgF23 to be BaCaAgF7" +mp-1217948,TaMnNbO6,-9.7420867594,-2.9863945117,0.0,-0.0001042525,GGA+U,P2_12_12,ABC6D_oP36_18_ab_c_6c_c:Mn-Nb-O-Ta,36.0,ABC6D_oP36_18_ab_c_6c_c:Mn-Nb-O-Ta +mp-1046101,Mg2Ta2MnO8,-8.9225804173,-3.1032234679,0.0032246813,0.0032246813,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Mg-Mn-O-Ta,52.0,A2BC8D2_mC52_15_f_e_4f_f:Mg-Mn-O-Ta +mp-1290236,Mg2TaMnO6,-8.2368194493,-2.8467709203,0.0979174959,0.0979174959,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Mn-O-Ta,40.0,A2BC6D_mP20_11_2e_a_2e2f_c:Mg-Mn-O-Ta +mp-1097559,TaMn2Nb,-6.208824525,3.8619537885,4.0296327019,4.0296327019,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Nb-Ta,4.0,A2BC_oI8_71_e_a_b:Mn-Nb-Ta +mp-1210629,Mg2Ta2Mn2O9,-8.948719648299999,-2.964696692,0.0016964832,0.0016964832,GGA+U,P-3c1,A2B2C9D2_hP30_165_d_d_fg_c:Mg-Mn-O-Ta,30.0,A2B2C9D2_hP30_165_d_d_fg_c:Mg-Mn-O-Ta +mp-1233120,MgTa4Mn4Nb4O24,-9.5239700211,-2.9076132382,0.0565897132,0.0565897132,GGA+U,P1,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta,37.0,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta +mp-1233412,MgTa4Mn4Nb4O24,-9.5050494403,-2.8886926573,0.075510294,0.075510294,GGA+U,P1,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta,37.0,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta +mp-1234757,MgTa4Mn4Nb4O24,-9.5009802359,-2.884623453,0.0795794983,0.0795794983,GGA+U,P1,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta,37.0,AB4C4D24E4_aP37_1_a_4a_4a_24a_4a:Mg-Mn-Nb-O-Ta +mp-1233262,MgTa4Mn4Nb4O24,-9.5104383762,-2.8940815933,0.070121358,0.070121358,GGA+U,P2,AB4C4D24E4_mP37_3_a_abcd_2e_12e_2e:Mg-Mn-Nb-O-Ta,37.0,"Invalid WP multiplicities - AB4C4D24E4_mP37_3_a_abcd_3e_18e_3e:Mg-Mn-Nb-O-Ta, expected MgTa6Mn4Nb6O36 to be MgTa4Mn4Nb4O24" +mp-1234341,MgTa4Mn4Nb4O24,-9.5176589838,-2.9013022009,0.0629007505,0.0629007505,GGA+U,P2,AB4C4D24E4_mP37_3_a_abcd_2e_12e_2e:Mg-Mn-Nb-O-Ta,37.0,"Invalid WP multiplicities - AB4C4D24E4_mP37_3_a_abcd_3e_18e_3e:Mg-Mn-Nb-O-Ta, expected MgTa6Mn4Nb6O36 to be MgTa4Mn4Nb4O24" +mp-1206304,PrTiGe3,-5.964108153,-0.6550118857,0.0,-0.0078399244,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ge-Pr-Ti,10.0,A3BC_hP10_194_h_c_a:Ge-Pr-Ti +mp-21463,PrTiGe,-6.381826425,-0.6153512161,0.0047012371,0.0047012371,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Pr-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Pr-Ti +mp-1206965,Pr2TiGe2,-4.750447444,0.5902244033,1.3342873472,1.3342873472,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Pr-Ti,5.0,A2B2C_tP5_123_g_g_a:Ge-Pr-Ti +mp-1219865,Pr2FeSbO7,-7.9514483591,-2.7889342737,0.0,-0.0048134574,GGA+U,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Fe-O-Pr-Sb,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Fe-O-Pr-Sb, expected Pr2FeSbO13 to be Pr2FeSbO7" +mp-1188509,Pr(FeSb3)4,-5.5209810829,-0.332216055,0.0,-0.0151251505,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Pr-Sb,17.0,A4BC12_cI34_204_c_a_g:Fe-Pr-Sb +mp-1197545,Pr6Fe13Sb,-7.2634987557,-0.1172631807,0.0209088684,0.0209088684,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Sb,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Sb +mp-1200999,PrFeSb3,-5.7311699792,-0.6035838422,0.0210990551,0.0210990551,GGA,Pbcm,ABC3_oP40_57_e_cd_2c2de:Fe-Pr-Sb,40.0,ABC3_oP40_57_e_cd_2c2de:Fe-Pr-Sb +mp-1210142,PrFeSb3,-5.7114587018,-0.5838725648,0.0408103325,0.0408103325,GGA,Pbcm,ABC3_oP60_57_ce_de_c2d3e:Fe-Pr-Sb,60.0,ABC3_oP60_57_ce_de_c2d3e:Fe-Pr-Sb +mp-685871,Pr(FeSb3)5,-5.487041408,-0.2934209125,0.0073273393,0.0073273393,GGA,R-3,A5BC15_hR252_148_a2ce2f_2c_10f:Fe-Pr-Sb,84.0,"Invalid WP multiplicities - A5BC15_hR252_148_a4c2e7f_3c_55f:Fe-Pr-Sb, expected Pr2Fe19Sb110 to be Pr(FeSb3)5" +mp-1209713,Pr5Fe2Sb,-5.8238315606,-0.2021350062,0.1432951167,0.1432951167,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:Fe-Pr-Sb,16.0,A2B5C_tI32_140_h_cl_a:Fe-Pr-Sb +mp-1079872,PrFeSb2,-5.9756124675,-0.5983801063,0.1123552252,0.1123552252,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Fe-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Fe-Pr-Sb +mp-1177314,Li4NbCr(TeO6)2,-6.8188453120000005,-2.1669992971,0.0373318247,0.0373318247,GGA+U,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cr-Li-Nb-O-Te,40.0,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cr-Li-Nb-O-Te +mp-1226011,CoSi4Ni3,-6.2565887925,-0.4878387981,0.0054072569,0.0054072569,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Co-Ni-Si,8.0,AB3C4_mP8_6_a_a2b_2a2b:Co-Ni-Si +mp-1227707,Ca4Co3Si8NiO24,-7.8827592107,-2.9514951384,0.0091503573,0.0091503573,GGA+U,P1,A4B3CD24E8_aP40_1_4a_3a_a_24a_8a:Ca-Co-Ni-O-Si,40.0,A4B3CD24E8_aP40_1_4a_3a_a_24a_8a:Ca-Co-Ni-O-Si +mp-1102115,CoSiNi,-6.573889845,-0.46929901,0.0103818492,0.0103818492,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ni-Si,12.0,ABC_oP12_62_c_c_c:Co-Ni-Si +mp-1226006,CoSi4Ni,-6.1616181133,-0.3966636808,0.0,-0.0089322717,GGA,R-3m,ABC4_hR18_166_a_b_2c:Co-Ni-Si,6.0,"Invalid WP multiplicities - ABC4_hR18_166_a_b_3c:Co-Ni-Si, expected CoSi6Ni to be CoSi4Ni" +mp-1227711,Ca4CoSi8(NiO8)3,-7.8147870565,-2.9499320399,0.0068142212,0.0068142212,GGA+U,P2,A4BC3D24E8_mP40_3_abcd_a_bcd_12e_4e:Ca-Co-Ni-O-Si,40.0,"Invalid WP multiplicities - A4BC3D24E8_mP40_3_abcd_a_bcd_24e_8e:Ca-Co-Ni-O-Si, expected Ca4CoSi16(NiO16)3 to be Ca4CoSi8(NiO8)3" +mp-1227451,Ca2CoSi4NiO12,-7.848976598,-2.9509170535,0.0077788249,0.0077788249,GGA+U,C2,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ca-Co-Ni-O-Si,20.0,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ca-Co-Ni-O-Si +mp-7126,TiSnSb,-5.7395129175,-0.3948245469,0.0,-0.0070075758,GGA,Fddd,ABC_oF48_70_e_f_e:Sb-Sn-Ti,12.0,ABC_oF48_70_e_f_e:Sb-Sn-Ti +mp-1048457,Ba2Mn2AlTlO7,-7.0107520862,-2.1725197462,0.3459987327,0.3459987327,GGA+U,P4/mmm,AB2C2D7E_tP13_123_b_g_h_ahi_c:Al-Ba-Mn-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_tP13_123_b_g_h_a2h2i_c:Al-Ba-Mn-O-Tl, expected Ba2Mn2AlTlO13 to be Ba2Mn2AlTlO7" +mp-1034272,Mg14TiCrO16,-6.6247392191,-2.9028804826,0.105678587,0.105678587,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Ti, expected Mg18TiCrO20 to be Mg14TiCrO16" +mp-1034067,Mg14TiCrO16,-6.6258027597,-2.9039440232,0.1046150463,0.1046150463,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Ti, expected Mg30TiCrO32 to be Mg14TiCrO16" +mp-2229708,MgTi4Cr2O10,-8.92813507,-2.9307685895,0.1541563053,0.1541563053,GGA+U,P1,A2BC10D4_aP17_1_2a_a_10a_4a:Cr-Mg-O-Ti,17.0,A2BC10D4_aP17_1_2a_a_10a_4a:Cr-Mg-O-Ti +mp-2229737,MgTi4Cr2O10,-8.8562243941,-2.8588579136,0.2260669812,0.2260669812,GGA+U,P-1,A2BC10D4_aP17_2_ab_c_5i_2i:Cr-Mg-O-Ti,17.0,"Invalid WP multiplicities - A2BC10D4_aP17_2_ab_c_9i_3i:Cr-Mg-O-Ti, expected MgTi6Cr2O18 to be MgTi4Cr2O10" +mp-2230553,La3MgTi3CrO12,-8.876948599,-3.421544128,0.1090824162,0.1090824162,GGA+U,P1,AB3CD12E3_aP20_1_a_3a_a_12a_3a:Cr-La-Mg-O-Ti,20.0,AB3CD12E3_aP20_1_a_3a_a_12a_3a:Cr-La-Mg-O-Ti +mp-1031428,Mg6TiCrO8,-6.9365557575,-2.7663226652,0.1967551745,0.1967551745,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Ti, expected Mg6TiCrO12 to be Mg6TiCrO8" +mp-1031430,Mg6TiCrO8,-6.9192211906,-2.7489880983,0.2140897414,0.2140897414,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Ti, expected Mg6TiCrO12 to be Mg6TiCrO8" +mp-2227107,MgTiCrO4,-8.3097765243,-2.7475516126,0.238319104,0.238319104,GGA+U,I-4m2,ABC4D_tI14_119_c_a_ef_b:Cr-Mg-O-Ti,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_c_a_2e2f_b:Cr-Mg-O-Ti, expected MgTiCrO8 to be MgTiCrO4" +mp-2227419,MgTiCrO4,-8.3324001286,-2.7701752169,0.2156954998,0.2156954998,GGA+U,I-4m2,ABC4D_tI14_119_a_b_ef_c:Cr-Mg-O-Ti,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_b_2e2f_c:Cr-Mg-O-Ti, expected MgTiCrO8 to be MgTiCrO4" +mp-1098358,Mg30TiCrO32,-6.473117218,-2.9754456594,0.055854025,0.055854025,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Ti, expected Mg90TiCrO80 to be Mg30TiCrO32" +mp-1098369,Mg30TiCrO32,-6.4743725008,-2.9767009422,0.0545987422,0.0545987422,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Ti, expected Mg110TiCrO72 to be Mg30TiCrO32" +mp-2227368,Ba2MgCuTeO6,-6.0187894436,-2.167800829,0.1837980386,0.1837980386,GGA,P-1,A2BCD6E_aP11_2_i_c_a_3i_d:Ba-Cu-Mg-O-Te,,"Invalid WP multiplicities - A2BCD6E_aP11_2_i_c_a_4i_d:Ba-Cu-Mg-O-Te, expected Ba2MgCuTeO8 to be Ba2MgCuTeO6" +mp-2222836,Ba2MgCuTeO6,-5.9222554073,-2.0712667927,0.280332075,0.280332075,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Cu-Mg-O-Te,11.0,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Cu-Mg-O-Te +mp-1046341,Sr2AlCu2SbO7,-6.3841555812,-2.22424802,0.1895045534,0.1895045534,GGA,C2,AB2C7DE2_mC52_5_ab_2c_7c_c_2c:Al-Cu-O-Sb-Sr,26.0,AB2C7DE2_oI52_46_a_c_b3c_b_c:Al-Cu-O-Sb-Sr +mp-1208835,Sr2AlSbO6,-7.022184888,-2.9288152636,0.0104762387,0.0104762387,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Al-O-Sb-Sr +mp-1177278,Li4Ti2Mn3Sb3O16,-7.4168562911,-2.3294725598,0.0914302771,0.0914302771,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Sb-Ti,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-Sb-Ti, expected Li4Ti2Mn3Sb3O20 to be Li4Ti2Mn3Sb3O16" +mp-1208261,Ti5MnSb2,-7.5754021106,-0.4632173787,0.0,-0.0030916079,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Mn-Sb-Ti,16.0,AB2C5_tI32_140_a_h_bk:Mn-Sb-Ti +mp-758701,Li4Ti3Mn3(SbO8)2,-7.7496248186,-2.5277235595,0.0703979823,0.0703979823,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Sb-Ti,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Mn-O-Sb-Ti, expected Li4Ti3Mn3(SbO10)2 to be Li4Ti3Mn3(SbO8)2" +mp-1216728,TiMnSb,-7.3147697967,-0.2526002804,0.1429758104,0.1429758104,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Mn-Sb-Ti,6.0,ABC_hP6_194_c_d_a:Mn-Sb-Ti +mp-1228196,Ba3YbIrRuO9,-7.148296163,-2.4863249483,0.0,-0.0358381309,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_b_a:Ba-Ir-O-Ru-Yb,,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_b_a:Ba-Ir-O-Ru-Yb, expected Ba5YbIrRuO15 to be Ba3YbIrRuO9" +mp-1041269,BaMgSbF7,-5.5535177073,-3.450656807,0.0605297725,0.0605297725,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Sb,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Sb, expected BaMgSbF23 to be BaMgSbF7" +mp-1045695,Ba2MgCuSb2F14,-5.374472544,-3.1466653128,0.0620501908,0.0620501908,GGA,P-1,A2BC14DE2_aP40_2_2i_ab_14i_i_2i:Ba-Cu-F-Mg-Sb,40.0,"Invalid WP multiplicities - A2BC14DE2_aP40_2_4i_ab_27i_i_2i:Ba-Cu-F-Mg-Sb, expected Ba4MgCuSb2F27 to be Ba2MgCuSb2F14" +mp-1520532,SrCaDyBiO6,-7.021511056,-2.8392608989,0.0,-0.0065564821,GGA,Cm,ABCD6E_mC20_8_a_a_a_2a2b_a:Bi-Ca-Dy-O-Sr,10.0,"Invalid WP multiplicities - ABCD6E_mC20_8_a_a_a_2a3b_a:Bi-Ca-Dy-O-Sr, expected SrCaDyBiO8 to be SrCaDyBiO6" +mp-1520639,SrCaDyBiO6,-6.9754826647,-2.7932325077,0.0460283912,0.0394719091,GGA,P222,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Dy-O-Sr,40.0,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Dy-O-Sr +mp-1520385,SrCaDyBiO6,-6.8729953980000005,-2.6907452409,0.148515658,0.1419591759,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Dy-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Dy-O-Sr +mp-1228261,Ba4PrTm(Cu3O7)2,-6.4303023696,-2.1694745652,0.0362051275,0.0362051275,GGA,Pmmm,A4B6C14DE_oP26_47_2i_3l_2j3k2l_a_b:Ba-Cu-O-Pr-Tm,26.0,"Invalid WP multiplicities - A4B6C14DE_oP26_47_4i_5l_4j5k4l_a_b:Ba-Cu-O-Pr-Tm, expected Ba8PrTm(Cu5O13)2 to be Ba4PrTm(Cu3O7)2" +mp-1233008,LiTa2Te4Br10O,-4.5250783344,-1.2653742394,0.0426782487,0.0426782487,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1235131,LiTa2Te4Br10O,-4.5429300172,-1.2832259222,0.0248265659,0.0248265659,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1235353,LiTa2Te4Br10O,-4.5427907217,-1.2830866266,0.0249658615,0.0249658615,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1235409,LiTa2Te4Br10O,-4.5300259617,-1.2703218666,0.0377306215,0.0377306215,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1235468,LiTa2Te4Br10O,-4.5244245061,-1.264720411,0.043332077,0.043332077,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1235788,LiTa2Te4Br10O,-4.5403385106,-1.2806344155,0.0274180726,0.0274180726,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1236376,LiTa2Te4Br10O,-4.5286174467,-1.2689133516,0.0391391365,0.0391391365,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1236401,LiTa2Te4Br10O,-4.5284940189,-1.2687899238,0.0392625642,0.0392625642,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1236727,LiTa2Te4Br10O,-4.5397887217,-1.2800846266,0.0279678615,0.0279678615,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Li-O-Ta-Te +mp-1519575,PrEuZrCrO6,-9.531027507,-3.2391487147,0.147105797,0.147105797,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Pr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Pr-Zr +mp-1521899,NdEuNiSbO6,-7.919565691,-2.458123749,0.1653817152,0.1653817152,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-Nd-Ni-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-Nd-Ni-O-Sb +mp-1228276,Ba3NiSbRuO9,-6.9293327940000005,-2.2986218819,0.0079924686,0.0079924686,GGA+U,P-3m1,A3BC9DE_hP30_164_c2d_ab_3i_d_d:Ba-Ni-O-Ru-Sb,30.0,A3BC9DE_hP30_164_c2d_ab_3i_d_d:Ba-Ni-O-Ru-Sb +mp-1219954,NiSb6Ru,-5.3144074281,-0.3358390956,0.0,-0.0501342434,GGA,C2/m,ABC6_mC32_12_e_f_2i2j:Ni-Ru-Sb,16.0,ABC6_mC32_12_e_f_2i2j:Ni-Ru-Sb +mp-1214693,Ba2DyCoCu2O7,-6.7211516615,-2.2305140589,0.0359109563,0.0359109563,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Dy-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Dy-O +mp-1517138,SrCaInBiO6,-6.1680315740000005,-2.1712917279,0.1445158597,0.1445158597,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-In-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-In-O-Sr +mp-1519172,BaSrCuBiO6,-6.080280796,-1.9574511499,0.0585553768,0.0585553768,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Cu-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Cu-O-Sr +mp-1226289,Cr4FeNiS8,-7.0221731307,-0.8826055089,0.0505737328,0.0505737328,GGA,F-43m,A4BCD8_cF56_216_e_a_c_2e:Cr-Fe-Ni-S,14.0,A4BCD8_cF56_216_e_a_c_2e:Cr-Fe-Ni-S +mp-1226091,Cr8Cu3NiS16,-6.6880420986,-0.92070873,0.0,-0.0073310376,GGA,R3m,A8B3CD16_hR84_160_2a2b_3a_a_4a4b:Cr-Cu-Ni-S,28.0,"Invalid WP multiplicities - A8B3CD16_hR84_160_2a5b_3a_a_4a12b:Cr-Cu-Ni-S, expected Cr17Cu3NiS40 to be Cr8Cu3NiS16" +mp-1226423,Cr8Fe3NiS16,-6.8868216936,-0.6511867671,0.278657211,0.278657211,GGA,R3m,A8B3CD16_hR84_160_2a2b_3a_a_4a4b:Cr-Fe-Ni-S,28.0,"Invalid WP multiplicities - A8B3CD16_hR84_160_2a6b_3a_a_4a12b:Cr-Fe-Ni-S, expected Cr20Fe3NiS40 to be Cr8Fe3NiS16" +mp-1226149,Cr8Fe2CuNiS16,-6.94834413,-0.8688097229,0.0598142593,0.0598142593,GGA,R3m,A8BC2DE16_hR84_160_2a2b_a_2a_a_4a4b:Cr-Cu-Fe-Ni-S,28.0,"Invalid WP multiplicities - A8BC2DE16_hR84_160_2a5b_a_2a_a_4a12b:Cr-Cu-Fe-Ni-S, expected Cr17Fe2CuNiS40 to be Cr8Fe2CuNiS16" +mp-642975,CrBi12Mo4PbO34,-7.0288153498,-1.8168618744,0.0072957603,0.0072957603,GGA+U,P2/c,A12BC4D34E_mP104_13_6g_e_2g_2f16g_a:Bi-Cr-Mo-O-Pb,104.0,"Invalid WP multiplicities - A12BC4D34E_mP104_13_24g_e_5g_4f61g_a:Bi-Cr-Mo-O-Pb, expected CrBi48Mo10PbO126 to be CrBi12Mo4PbO34" +mp-560917,Mn13Al4Si2(SbO14)2,-8.4411482563,-2.4879967345000003,0.0,-0.0248184609,GGA+U,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Mn-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Mn-O-Sb-Si, expected Mn37Al4Si2(SbO46)2 to be Mn13Al4Si2(SbO14)2" +mp-562762,Ba2CoSe2(ClO3)2,-6.0426549473,-2.095324469,0.0,-0.0121877101,GGA+U,Pnnm,A2B2CD6E2_oP26_58_g_g_a_gh_g:Ba-Cl-Co-O-Se,52.0,A2B2CD6E2_oP26_58_g_g_a_gh_g:Ba-Cl-Co-O-Se +mp-1520239,CaTiNbInO6,-8.10715427,-2.8637329766,0.1786371473,0.1786371473,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-In-Nb-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-In-Nb-O-Ti +mp-777462,Li4Ni3Sn3(SbO8)2,-6.3880093282,-1.9448007949,0.0243193387,0.0243193387,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Sb-Sn,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Ni-O-Sb-Sn, expected Li4Ni3Sn3(SbO10)2 to be Li4Ni3Sn3(SbO8)2" +mp-776462,Li4Ni3Sn2Sb3O16,-6.34343069,-1.8959568215,0.0517297619,0.0517297619,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sb-Sn,56.0,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sb-Sn +mp-2217279,La2MgZnMoO6,-7.44450059,-2.6028805675,0.3332594608,0.3332594608,GGA+U,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mo-O-Zn,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mo-O-Zn +mp-2217758,La2MgZnMoO6,-7.4586687491,-2.6170487266,0.3190913017,0.3190913017,GGA+U,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mo-O-Zn,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mo-O-Zn +mp-2217591,La2MgZnMoO6,-7.4327062173,-2.5910861948,0.3450538335,0.3450538335,GGA+U,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:La-Mg-Mo-O-Zn,11.0,A2BCD6E_hR33_146_2a_a_a_2b_a:La-Mg-Mo-O-Zn +mp-1522144,CaDy(CoO3)4,-6.6486769206,-1.4039034519,0.2791959241,0.2791959241,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ca-Co-Dy-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ca-Co-Dy-O, expected CaDy(Co2O9)2 to be CaDy(CoO3)4" +mp-1197005,Pr6ZnFe13,-7.0075966542,-0.0048239607,0.025805746,0.025805746,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Zn,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Pr-Zn +mp-1044777,PrZn(FeO3)2,-7.3330723305,-2.0669899253,0.1035561816,0.1035561816,GGA+U,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Fe-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_4a4b_a_a:Fe-O-Pr-Zn, expected PrZn(FeO6)2 to be PrZn(FeO3)2" +mp-1194983,CaFe2Cu3(SbO6)2,-6.6654699208,-1.7223934545,0.0549073122,0.0549073122,GGA+U,Pn-3,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Fe-O-Sb,40.0,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Fe-O-Sb +mp-1045984,Sr2Mn2AlTlO7,-7.0327644777,-2.2298369818,0.3284678867,0.3284678867,GGA+U,P4/mmm,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Mn-O-Sr-Tl,13.0,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Mn-O-Sr-Tl +mp-1214515,Ba6Tm2Al4O15,-7.4925747989,-3.4315320405,0.0,-0.0148210779,GGA,P2/c,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Tm,54.0,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Tm +mp-1214492,Ba5Tm2ZrAl2O13,-7.8059706085,-3.5063031701,0.0,-0.0028148363,GGA,P6_3/mmc,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Tm-Zr,46.0,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Tm-Zr +mp-1233210,MgFe7(Ni3O8)2,-7.2629200067,-1.4389777407,0.1467896459,0.1467896459,GGA+U,P1,A7BC6D16_aP30_1_7a_a_6a_16a:Fe-Mg-Ni-O,30.0,A7BC6D16_aP30_1_7a_a_6a_16a:Fe-Mg-Ni-O +mp-1233499,MgFe7(Ni3O8)2,-7.2527187807,-1.4287765147,0.1569908719,0.1569908719,GGA+U,P-1,A7BC6D16_aP30_2_b3i_h_acdei_8i:Fe-Mg-Ni-O,30.0,"Invalid WP multiplicities - A7BC6D16_aP30_2_b6i_h_acde2i_16i:Fe-Mg-Ni-O, expected MgFe13(NiO4)8 to be MgFe7(Ni3O8)2" +mp-1233128,MgFe7(Ni3O8)2,-6.9313559813,-1.1074137153,0.4783536713,0.4783536713,GGA+U,Cm,A7BC6D16_mC60_8_3a2b_a_4ab_8a4b:Fe-Mg-Ni-O,30.0,A7BC6D16_mC60_8_3a2b_a_4ab_8a4b:Fe-Mg-Ni-O +mp-1234190,MgFe7(Ni3O8)2,-7.230391321,-1.406449055,0.1793183316,0.1793183316,GGA+U,Cm,A7BC6D16_mC60_8_3a2b_a_4ab_8a4b:Fe-Mg-Ni-O,30.0,A7BC6D16_mC60_8_3a2b_a_4ab_8a4b:Fe-Mg-Ni-O +mp-1234606,MgFe7(Ni3O8)2,-7.1797719567,-1.3558296907,0.2299376959,0.2299376959,GGA+U,C2/m,A7BC6D16_mC60_12_cij_d_abei_4i2j:Fe-Mg-Ni-O,30.0,"Invalid WP multiplicities - A7BC6D16_mC60_12_a2i2j_b_cde2i_8i4j:Fe-Mg-Ni-O, expected MgFe13(NiO4)8 to be MgFe7(Ni3O8)2" +mp-2232663,MgFe4(NiO4)2,-7.2695368893,-1.49526036,0.231558618,0.231558618,GGA+U,C2/m,A4BC2D8_mC30_12_aci_b_e_2ij:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_12_aci_b_e_4i3j:Fe-Mg-Ni-O, expected MgFe4(NiO10)2 to be MgFe4(NiO4)2" +mp-2232629,MgFe4(NiO4)2,-6.8201757267000005,-1.0458991973,0.6809197807,0.6809197807,GGA+U,C2/m,A4BC2D8_mC30_12_ei_b_ac_2ij:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_12_fi_b_ac_3i4j:Fe-Mg-Ni-O, expected MgFe4(NiO11)2 to be MgFe4(NiO4)2" +mp-2232541,MgFe4(NiO4)2,-7.2380734573,-1.463796928,0.26302205,0.26302205,GGA+U,Imm2,A4BC2D8_oI30_44_abc_a_d_2c2d:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_oI30_44_abc_a_d_4c4d:Fe-Mg-Ni-O, expected MgFe4(NiO8)2 to be MgFe4(NiO4)2" +mp-2232288,MgFe4(NiO4)2,-7.204015022,-1.4297384927,0.2970804853,0.2970804853,GGA+U,Imm2,A4BC2D8_oI30_44_abc_a_d_2c2d:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_oI30_44_abc_a_d_4c4d:Fe-Mg-Ni-O, expected MgFe4(NiO8)2 to be MgFe4(NiO4)2" +mp-1646328,LaMgFeNiO6,-7.238189891,-2.1915321598,0.0932269575,0.0932269575,GGA+U,P1,ABCDE6_aP20_1_2a_2a_2a_2a_12a:Fe-La-Mg-Ni-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Fe-La-Mg-Ni-O +mp-2232412,MgFe2(NiO2)4,-6.745627252,-1.3300019933,0.3094621557,0.3094621557,GGA+U,Imm2,A2BC4D8_oI30_44_ab_a_cd_2c2d:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_ab_a_2cd_2c3d:Fe-Mg-Ni-O, expected MgFe2(Ni3O5)2 to be MgFe2(NiO2)4" +mp-2232243,MgFe2(NiO2)4,-6.8238544953,-1.4082292367,0.2312349123,0.2312349123,GGA+U,R-3m,A2BC4D8_hR45_166_c_b_ad_ch:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_hR45_166_c_b_a2d_2c3h:Fe-Mg-Ni-O, expected MgFe2Ni7O22 to be MgFe2(NiO2)4" +mp-2232175,MgFe2(NiO2)4,-6.483840394,-1.0682151353,0.5712490137,0.5712490137,GGA+U,F-43m,A2BC4D8_cF60_216_ac_b_e_2e:Fe-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_cF60_216_ac_b_e_3e:Fe-Mg-Ni-O, expected MgFe2(NiO3)4 to be MgFe2(NiO2)4" +mp-2223661,MgFe2(NiO3)2,-7.0719024164,-1.6372907711,0.1551707241,0.1551707241,GGA+U,R3,A2BC2D6_hR33_146_2a_a_2a_2b:Fe-Mg-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_hR33_146_2a_a_2a_4b:Fe-Mg-Ni-O, expected MgFe2(NiO6)2 to be MgFe2(NiO3)2" +mp-2223665,MgFe2(NiO3)2,-7.0519984091,-1.6173867639,0.1750747314,0.1750747314,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Fe-Mg-Ni-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Fe-Mg-Ni-O +mp-2240275,MgFe2(NiO3)2,-7.0616715064,-1.6270598611,0.1654016341,0.1654016341,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Fe-Mg-Ni-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Fe-Mg-Ni-O +mp-1032469,Mg6FeNiO8,-6.5086610825,-2.54457684,0.0952281842,0.0952281842,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Fe-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Fe-Mg-Ni-O, expected Mg6FeNiO12 to be Mg6FeNiO8" +mp-1099232,Mg6FeNiO8,-6.5266832638,-2.5625990213,0.077206003,0.077206003,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Fe-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Fe-Mg-Ni-O, expected Mg6FeNiO12 to be Mg6FeNiO8" +mp-1035790,Mg14FeNiO16,-6.4475047619,-2.8287204503,0.0182022115,0.0182022115,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Fe-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Fe-Mg-Ni-O, expected Mg18FeNiO20 to be Mg14FeNiO16" +mp-1035767,Mg14FeNiO16,-6.4201922547,-2.8014079431,0.0455147187,0.0455147187,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Fe-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Fe-Mg-Ni-O, expected Mg30FeNiO32 to be Mg14FeNiO16" +mp-1222083,MgFe4NiO8,-7.5641407771,-1.79028283,0.0598803607,0.0598803607,GGA+U,C2/m,A4BCD8_mC28_12_ei_c_a_2ij:Fe-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_mC28_12_ei_a_c_4i2j:Fe-Mg-Ni-O, expected MgFe4NiO16 to be MgFe4NiO8" +mp-1221969,MgFe4NiO8,-7.5732633279,-1.7994053807,0.05075781,0.05075781,GGA+U,R3m,A4BCD8_hR42_160_ab_a_a_2a2b:Fe-Mg-Ni-O,14.0,A4BCD8_hR42_160_ab_a_a_2a2b:Fe-Mg-Ni-O +mp-1037305,Mg30FeNiO32,-6.393840387,-2.9477060409,0.0027754396,0.0027754396,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Fe-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Fe-Mg-Ni-O, expected Mg110FeNiO72 to be Mg30FeNiO32" +mp-1036994,Mg30FeNiO32,-6.3940054642,-2.9478711181,0.0026103625,0.0026103625,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Fe-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Fe-Mg-Ni-O, expected Mg90FeNiO80 to be Mg30FeNiO32" +mp-1638820,LaZnFeMoO6,-7.816395465,-2.2972400347,0.0946326225,0.0946326225,GGA+U,P1,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Fe-La-Mo-O-Zn,20.0,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Fe-La-Mo-O-Zn +mp-1044082,LaZnFeMoO6,-7.832438265,-2.3132828348,0.0785898225,0.0785898225,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mo-O-Zn,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mo-O-Zn +mp-1356436,Zn3Fe4(MoO4)6,-7.8085830465,-1.8233466843,0.0673773902,0.0673773902,GGA+U,P-1,A4B6C24D3_aP37_2_2i_3i_12i_ai:Fe-Mo-O-Zn,37.0,"Invalid WP multiplicities - A4B6C24D3_aP37_2_2i_5i_13i_ai:Fe-Mo-O-Zn, expected Zn3Fe4(Mo5O13)2 to be Zn3Fe4(MoO4)6" +mp-676456,Sr6La2Ta3Al5O24,-8.361186207,-3.535418306,0.0122465529,0.0122465529,GGA,R-3m,A5B2C24D6E3_hR120_166_a2c_c_4h_3c_bc:Al-La-O-Sr-Ta,40.0,"Invalid WP multiplicities - A5B2C24D6E3_hR120_166_a3c_c_19h_5c_b2c:Al-La-O-Sr-Ta, expected Sr10La2Ta5Al7O114 to be Sr6La2Ta3Al5O24" +mp-1232342,Sr3LaTaAl3O12,-8.0281413895,-3.4051785335,0.0449679522,0.0449679522,GGA,Amm2,A3BC12D3E_oC40_38_be_a_2ad4e_ad_b:Al-La-O-Sr-Ta,20.0,"Invalid WP multiplicities - A3BC12D3E_oC40_38_be_a_2a2d8e_ad_b:Al-La-O-Sr-Ta, expected Sr3LaTaAl3O22 to be Sr3LaTaAl3O12" +mp-1232343,Sr3LaTaAl3O12,-8.0400901955,-3.4171273395,0.0330191462,0.0330191462,GGA,Cmmm,A3BC12D3E_oC80_65_ghi_k_no2p2q_lm_j:Al-La-O-Sr-Ta,40.0,"Invalid WP multiplicities - A3BC12D3E_oC80_65_2g2h2i_k_4n3o6p6q_2l2m_j:Al-La-O-Sr-Ta, expected Sr6LaTaAl6O38 to be Sr3LaTaAl3O12" +mp-1198344,IrRhBr6N5Cl,-3.9671538062,0.9651264305,1.4827833451,1.4827833451,GGA,P2_1/m,A6BCD5E_mP56_11_6e3f_2e_2e_4e3f_2e:Br-Cl-Ir-N-Rh,56.0,A6BCD5E_mP56_11_6e3f_2e_2e_4e3f_2e:Br-Cl-Ir-N-Rh +mp-1212470,IrRhN5Cl7,-4.0859703671,0.9729562968,1.5557245379,1.5557245379,GGA,P2_1/m,A7BC5D_mP56_11_8e3f_2e_4e3f_2e:Cl-Ir-N-Rh,56.0,A7BC5D_mP56_11_8e3f_2e_4e3f_2e:Cl-Ir-N-Rh +mp-978256,Mg2TlPb,-2.368780895,-0.0498183158,0.0,-0.0074429058,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pb-Tl,4.0,A2BC_cF16_225_c_a_b:Mg-Pb-Tl +mp-1208111,TlPb2Br5,-3.4988861009,-1.3047512339,0.0054225197,0.0054225197,GGA,P2_1/c,A5B2C_mP32_14_5e_2e_e:Br-Pb-Tl,32.0,A5B2C_mP32_14_5e_2e_e:Br-Pb-Tl +mp-1233796,MgTl2Pb16(Br9O4)2,-4.1543640758,-1.1931209848,0.2696425849,0.2696425849,GGA,P1,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl,45.0,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl +mp-1233899,MgTl2Pb16(Br9O4)2,-4.1517754576,-1.1905323666,0.2722312031,0.2722312031,GGA,P1,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl,45.0,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl +mp-1234249,MgTl2Pb16(Br9O4)2,-4.1257940338,-1.1645509428,0.2982126269,0.2982126269,GGA,P1,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl,45.0,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl +mp-1234499,MgTl2Pb16(Br9O4)2,-4.1259742293,-1.1647311384,0.2980324313,0.2980324313,GGA,P1,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl,45.0,A18BC8D16E2_aP45_1_18a_a_8a_16a_2a:Br-Mg-O-Pb-Tl +mp-1233373,MgTl2Pb16(Br9O4)2,-4.1301540196,-1.1689109286,0.2938526411,0.2938526411,GGA,P2,A18BC8D16E2_mP45_3_ad8e_a_4e_8e_bc:Br-Mg-O-Pb-Tl,45.0,"Invalid WP multiplicities - A18BC8D16E2_mP45_3_ac16e_a_7e_15e_bd:Br-Mg-O-Pb-Tl, expected MgTl2Pb30(Br17O7)2 to be MgTl2Pb16(Br9O4)2" +mp-1233449,MgTl2Pb16(Br9O4)2,-4.1217088504,-1.1604657595,0.3022978102,0.3022978102,GGA,P4,A18BC8D16E2_tP45_75_c4d_a_2d_4d_ab:Br-Mg-O-Pb-Tl,45.0,"Invalid WP multiplicities - A18BC8D16E2_tP45_75_2c13d_a_6d_13d_ab:Br-Mg-O-Pb-Tl, expected MgTl2Pb52(Br7O3)8 to be MgTl2Pb16(Br9O4)2" +mp-1234467,MgTl2Pb16(Br9O4)2,-4.1320415658,-1.1707984748,0.2919650949,0.2919650949,GGA,P-4,A18BC8D16E2_tP45_81_ac4h_b_2h_4h_g:Br-Mg-O-Pb-Tl,45.0,"Invalid WP multiplicities - A18BC8D16E2_tP45_81_ac16h_b_4h_13h_g:Br-Mg-O-Pb-Tl, expected MgTl2Pb52(Br33O8)2 to be MgTl2Pb16(Br9O4)2" +mp-27451,Tl3PbBr5,-3.3036395325,-1.2407819592,0.0041437406,0.0041437406,GGA,P2_12_12_1,A5BC3_oP36_19_5a_a_3a:Br-Pb-Tl,36.0,A5BC3_oP36_19_5a_a_3a:Br-Pb-Tl +mp-570753,Tl3PbBr5,-3.2956330994,-1.2327755261,0.0121501736,0.0121501736,GGA,P4_1,A5BC3_tP36_76_5a_a_3a:Br-Pb-Tl,36.0,"Invalid WP multiplicities - A5BC3_tP36_76_17a_a_11a:Br-Pb-Tl, expected Tl11PbBr17 to be Tl3PbBr5" +mp-560133,TlPb8Br9O4,-4.4226142939,-1.4304402247,0.0,-0.0077947036,GGA,P4/n,A9B4C8D_tP44_85_a2g_g_2g_c:Br-O-Pb-Tl,44.0,"Invalid WP multiplicities - A9B4C8D_tP44_85_2a10g_g_11g_c:Br-O-Pb-Tl, expected TlPb44(Br21O2)2 to be TlPb8Br9O4" +mp-41219,BaLiPrTeO6,-6.755882215,-2.6126580427,0.0658720226,0.0658720226,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Li-O-Pr-Te,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Li-O-Pr-Te +mp-1522043,SrEuInSnO6,-7.260983415,-2.4221951044,0.1970911248,0.1970911248,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-In-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-In-O-Sn-Sr +mp-1518221,SrEuHfMnO6,-9.222793645,-3.1482104607,0.0885256168,0.0885256168,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Mn-O-Sr +mp-2241328,Ba2TmMg(CuO2)4,-6.1160979731,-1.9983228654,0.2063217142,0.2063217142,GGA,P2/m,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Tm,16.0,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Tm +mp-2215983,Ba2TmMgCu3O7,-6.200682755,-2.1407894449,0.2390839956,0.2390839956,GGA,Pm,A2B3CD7E_mP14_6_c_ac_b_a3c_b:Ba-Cu-Mg-O-Tm,14.0,"Invalid WP multiplicities - A2B3CD7E_mP14_6_c_ac_b_a5c_b:Ba-Cu-Mg-O-Tm, expected Ba2TmMgCu3O11 to be Ba2TmMgCu3O7" +mp-2215912,Ba2TmMgCu3O7,-6.1624618686,-2.1025685584,0.277304882,0.277304882,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Tm +mp-2215918,Ba2TmMgCu3O7,-6.1037045936,-2.0438112834,0.336062157,0.336062157,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Tm +mp-2215860,Ba2TmMgCu3O7,-6.1569970829,-2.0971037727,0.2827696677,0.2827696677,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Tm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Tm +mp-2215931,Ba2TmMgCu3O7,-6.1085298107,-2.0486365006,0.3312369399,0.3312369399,GGA,Pmm2,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Mg-O-Tm,14.0,"Invalid WP multiplicities - A2B3CD7E_oP14_25_e_bf_a_b2e3f_c:Ba-Cu-Mg-O-Tm, expected Ba2TmMgCu3O11 to be Ba2TmMgCu3O7" +mp-2215890,Ba2TmMgCu3O7,-6.1924249829,-2.1325316727,0.2473417677,0.2473417677,GGA,Pmm2,A2B3CD7E_oP14_25_2a_3d_a_2b3c2d_a:Ba-Cu-Mg-O-Tm,14.0,A2B3CD7E_oP14_25_2a_3d_a_2b3c2d_a:Ba-Cu-Mg-O-Tm +mp-1205970,Tm2MgCu2,-3.994475327,-0.2444024797,0.0,-0.009605721,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Tm,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Tm +mp-1518344,SrPrNiBiO6,-6.737124647,-2.1600089184,0.195705246,0.195705246,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Bi-Ni-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Bi-Ni-O-Pr-Sr +mp-2232282,Sm2Mg(CuO2)4,-6.4186857587,-1.951499846,0.2464407227,0.2464407227,GGA,I-4,A4BC8D2_tI30_82_g_a_2g_bc:Cu-Mg-O-Sm,15.0,"Invalid WP multiplicities - A4BC8D2_tI30_82_g_a_3g_bc:Cu-Mg-O-Sm, expected Sm2Mg(CuO3)4 to be Sm2Mg(CuO2)4" +mp-2217336,Sm2Mg(CuO3)2,-6.9388287082,-2.4919198057,0.1622060283,0.1622060283,GGA,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Cu-Mg-O-Sm,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Cu-Mg-O-Sm +mp-2227895,Sm2MgCuO4,-6.6799219775,-2.3144952481,0.8632122289,0.8632122289,GGA,I4/mmm,ABC4D2_tI16_139_a_b_cd_e:Cu-Mg-O-Sm,8.0,ABC4D2_tI16_139_a_b_cd_e:Cu-Mg-O-Sm +mp-2230645,Sm4Mg(Cu2O5)2,-7.0038133958,-2.459690323,0.195807198,0.195807198,GGA,P1,A4BC10D4_aP19_1_4a_a_10a_4a:Cu-Mg-O-Sm,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:Cu-Mg-O-Sm +mp-1206905,Sm2MgCu2,-4.05503872,-0.207865588,0.0,-0.02247189,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Sm,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Sm +mp-13222,SmMg2Cu9,-3.9063244621,-0.1719906067,0.0,-0.0133070596,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Sm,24.0,"Invalid WP multiplicities - A9B2C_hP24_194_abc2k_f_d:Cu-Mg-Sm, expected SmMg2Cu15 to be SmMg2Cu9" +mp-2228904,Ba2SmMgCu3O7,-6.0889044729,-2.0116718262,0.3304665502,0.3304665502,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Sm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Sm +mp-2228487,Ba2SmMgCu3O7,-6.1434998093,-2.0662671626,0.2758712138,0.2758712138,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Sm,14.0,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Sm +mp-2228492,Ba2SmMgCu3O7,-6.1361690279,-2.0589363812,0.2832019952,0.2832019952,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Sm,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Sm +mp-2240907,Ba2SmMgCu3O7,-6.1086445229,-2.0314118762,0.3107265002,0.3107265002,GGA,Pmm2,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Mg-O-Sm,14.0,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Mg-O-Sm +mp-1205628,Ba2ErMoO6,-7.950391485,-3.0572463783,0.0,-0.0079602395,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Er-Mo-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Er-Mo-O +mp-1228244,Ba3Er2MoO9,-7.9104090913,-3.2265283613,0.0,-0.0539700753,GGA+U,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Ba-Er-Mo-O,30.0,"Invalid WP multiplicities - A3B2CD9_mC60_15_2e2f_f_c_2e14f:Ba-Er-Mo-O, expected Ba6Er2MoO30 to be Ba3Er2MoO9" +mp-1227774,BaSrEr4O8,-8.1335320504,-3.7440425273,0.0036303309,0.0036303309,GGA,Pmc2_1,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Er-O-Sr,28.0,AB4C8D_oP28_26_a_2a2b_4a4b_b:Ba-Er-O-Sr +mp-1227875,BaSr2Er6O12,-8.1240866195,-3.7400609413,0.0183879243,0.0183879243,GGA,P-6,AB6C12D2_hP21_174_a_jk_2j2k_cf:Ba-Er-O-Sr,,AB6C12D2_hP21_174_a_jk_2j2k_cf:Ba-Er-O-Sr +mp-18744,Sr2ErMoO6,-7.9622603315,-3.1150115221,0.0,-0.0348031264,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Er-Mo-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Er-Mo-O-Sr +mp-1228234,Ba3SrEr2(MoO6)2,-7.969748674,-3.0880776416,0.0,-0.0163899774,GGA+U,P1,A3B2C2D12E_aP20_1_3a_2a_2a_12a_a:Ba-Er-Mo-O-Sr,20.0,A3B2C2D12E_aP20_1_3a_2a_2a_12a_a:Ba-Er-Mo-O-Sr +mp-2232172,Sr4MgNi2(ClO3)2,-5.78454698,-2.2314981259,0.3225298059,0.3225298059,GGA+U,Pmm2,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Ni-O-Sr,15.0,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Ni-O-Sr +mp-2232244,Sr4MgNi2(ClO3)2,-5.7125381867,-2.1594893326,0.3945385992,0.3945385992,GGA+U,Pmm2,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Ni-O-Sr,15.0,A2BC2D6E4_oP15_25_bc_a_bc_2abc2d_2b2c:Cl-Mg-Ni-O-Sr +mp-2232123,Sr4MgNi2(ClO3)2,-5.7488147467,-2.1957658926,0.3582620392,0.3582620392,GGA+U,P4mm,A2BC2D6E4_tP15_99_ab_a_ab_ab2c_2a2b:Cl-Mg-Ni-O-Sr,15.0,A2BC2D6E4_tP15_99_ab_a_ab_ab2c_2a2b:Cl-Mg-Ni-O-Sr +mp-2232270,Sr4MgNi2(ClO3)2,-5.7292492227,-2.1762003686,0.3778275632,0.3778275632,GGA+U,P-4m2,A2BC2D6E4_tP15_115_g_a_g_efg_2g:Cl-Mg-Ni-O-Sr,15.0,"Invalid WP multiplicities - A2BC2D6E4_tP15_115_g_a_g_2efg_2g:Cl-Mg-Ni-O-Sr, expected Sr4MgNi2(ClO4)2 to be Sr4MgNi2(ClO3)2" +mp-1337756,Ca3Ge3(SbO6)2,-6.8098175825,-2.4346100715,0.0665741392,0.0665741392,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sb,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-Sb +mp-560330,Ba3Fe2Cl2O5,-6.7930944171,-2.5324707407,0.0,-0.0614349432,GGA+U,I2_13,A3B2C2D5_cI48_199_b_a_a_ab:Ba-Cl-Fe-O,24.0,A3B2C2D5_cI48_199_b_a_a_ab:Ba-Cl-Fe-O +mp-867719,FePtO2,-7.2828276787,-1.1741946906,0.0742322753,0.0742322753,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Fe-O-Pt,8.0,AB2C_hR12_166_a_c_b:Fe-O-Pt +mp-1228981,Ba10Fe8Pt2Cl2O25,-7.0307795845,-2.2125566734,0.0246979999999999,0.0246979999999999,GGA+U,P-6m2,A10B2C8D25E2_hP47_187_ab2h2i_de_2ghi_c4n_g:Ba-Cl-Fe-O-Pt,47.0,"Invalid WP multiplicities - A10B2C8D25E2_hP47_187_ab4h2i_de_3g2hi_c6n_g:Ba-Cl-Fe-O-Pt, expected Ba14Fe12Pt2Cl2O37 to be Ba10Fe8Pt2Cl2O25" +mp-1516651,BaSrInBiO6,-6.2893955772,-2.3013182252,0.0006277219,0.0006277219,GGA,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:Ba-Bi-In-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_f_6m_2c2d:Ba-Bi-In-O-Sr, expected BaSr2InBiO12 to be BaSrInBiO6" +mp-1516558,BaSrInBiO6,-6.24987877,-2.2618014179,0.0401445291,0.0401445291,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-In-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-In-O-Sr +mp-743863,Ca5La7Mn7Ru5O36,-8.2179981928,-2.6652154848,0.1291531325,0.1291531325,GGA+U,P1,A5B7C7D36E5_aP60_1_5a_7a_7a_36a_5a:Ca-La-Mn-O-Ru,60.0,A5B7C7D36E5_aP60_1_5a_7a_7a_36a_5a:Ca-La-Mn-O-Ru +mp-690556,CaLaMnRuO6,-8.132673446,-2.6268577375,0.0865227902,0.0865227902,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-La-Mn-O-Ru,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Ca-La-Mn-O-Ru, expected CaLaMnRuO12 to be CaLaMnRuO6" +mp-1227919,BaLaPrMn3O9,-8.3724036033,-2.7962614648,0.0804771165,0.0804771165,GGA+U,P321,ABC3D9E_hP30_150_ab_d_c2d_ef2g_d:Ba-La-Mn-O-Pr,30.0,"Invalid WP multiplicities - ABC3D9E_hP30_150_ab_d_2c3d_3e3f7g_d:Ba-La-Mn-O-Pr, expected BaLaPrMn5O30 to be BaLaPrMn3O9" +mp-1227832,BaPrNbCoO6,-8.159300133,-2.8003365533,0.2059745751,0.2059745751,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Co-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Co-Nb-O-Pr +mp-1518608,SrHfTiInO6,-8.323596666,-3.1261976163,0.1894775806,0.1894775806,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-In-O-Sr-Ti,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-In-O-Sr-Ti +mp-1233820,Sr4CaMn2(GaO5)2,-6.8715979468,-2.5236672397,0.1978887824,0.1978887824,GGA+U,P1,AB2C2D10E4_aP19_1_a_2a_2a_10a_4a:Ca-Ga-Mn-O-Sr,19.0,AB2C2D10E4_aP19_1_a_2a_2a_10a_4a:Ca-Ga-Mn-O-Sr +mp-1233378,Sr4CaMn2(GaO5)2,-6.9146781653,-2.5667474582,0.1548085639,0.1548085639,GGA+U,P-1,AB2C2D10E4_aP19_2_a_i_cd_5i_2i:Ca-Ga-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB2C2D10E4_aP19_2_a_i_cd_6i_2i:Ca-Ga-Mn-O-Sr, expected Sr4CaMn2(GaO6)2 to be Sr4CaMn2(GaO5)2" +mp-1234870,Sr4CaMn2(GaO5)2,-6.9171620995000005,-2.5692313924,0.1523246297,0.1523246297,GGA+U,C2,AB2C2D10E4_mC38_5_a_c_c_2a2b3c_2c:Ca-Ga-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB2C2D10E4_mC38_5_a_c_c_2a2b5c_4c:Ca-Ga-Mn-O-Sr, expected Sr8CaMn2(GaO7)2 to be Sr4CaMn2(GaO5)2" +mp-1233017,Sr4CaMn2(GaO5)2,-6.9643735968,-2.6164428897,0.1051131324,0.1051131324,GGA+U,Cm,AB2C2D10E4_mC38_8_a_b_b_4a3b_4a:Ca-Ga-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB2C2D10E4_mC38_8_a_b_b_4a5b_4a:Ca-Ga-Mn-O-Sr, expected Sr4CaMn2(GaO7)2 to be Sr4CaMn2(GaO5)2" +mp-1233407,Sr4CaMn2(GaO5)2,-6.8649864095,-2.5170557024,0.2045003197,0.2045003197,GGA+U,Cm,AB2C2D10E4_mC38_8_a_b_b_4a3b_4a:Ca-Ga-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB2C2D10E4_oF76_42_a_c_c_2ab4cd_4d:Ca-Ga-Mn-O-Sr, expected Sr8CaMn2(GaO7)2 to be Sr4CaMn2(GaO5)2" +mp-1233350,Sr4CaMn2(GaO5)2,-6.9642932116,-2.6163625045,0.1051935176,0.1051935176,GGA+U,Fmmm,AB2C2D10E4_oF76_69_a_h_c_fgim_n:Ca-Ga-Mn-O-Sr,19.0,"Invalid WP multiplicities - AB2C2D10E4_oF76_69_a_h_c_fg2im_n:Ca-Ga-Mn-O-Sr, expected Sr4CaMn2(GaO6)2 to be Sr4CaMn2(GaO5)2" +mp-1233777,Sr4CaMn2Ga2O11,-6.932624728,-2.5547561207,0.185489142,0.185489142,GGA+U,P1,AB2C2D11E4_aP20_1_a_2a_2a_11a_4a:Ca-Ga-Mn-O-Sr,20.0,AB2C2D11E4_aP20_1_a_2a_2a_11a_4a:Ca-Ga-Mn-O-Sr +mp-1233094,Sr4CaMn2Ga2O11,-6.8051436275,-2.4272750202,0.3129702425,0.3129702425,GGA+U,P-1,AB2C2D11E4_aP20_2_c_i_ae_bfh4i_2i:Ca-Ga-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB2C2D11E4_aP20_2_c_i_ae_bfh6i_4i:Ca-Ga-Mn-O-Sr, expected Sr8CaMn2Ga2O15 to be Sr4CaMn2Ga2O11" +mp-1233414,Sr4CaMn2Ga2O11,-6.912619705,-2.5347510977,0.205494165,0.205494165,GGA+U,C2,AB2C2D11E4_mC40_5_a_c_2b_a2b4c_2c:Ca-Ga-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB2C2D11E4_mC40_5_a_c_2b_a2b6c_3c:Ca-Ga-Mn-O-Sr, expected Sr6CaMn2Ga2O15 to be Sr4CaMn2Ga2O11" +mp-1218355,SrCaMnGaO5,-7.2113997728,-2.698216639,0.0082927912,0.0082927912,GGA+U,C2,ABCD5E_mC36_5_c_c_ab_5c_c:Ca-Ga-Mn-O-Sr,18.0,ABCD5E_mC36_5_c_c_ab_5c_c:Ca-Ga-Mn-O-Sr +mp-1218239,SrCa5Mn4(GaO8)2,-7.4148110364,-2.6444979848,0.0074380201,0.0074380201,GGA+U,Pm,A5B2C4D16E_mP28_6_a2c_2b_2c_2a2b6c_a:Ca-Ga-Mn-O-Sr,28.0,A5B2C4D16E_mP28_6_a2c_2b_2c_2a2b6c_a:Ca-Ga-Mn-O-Sr +mp-1516846,CaEuGdSbO6,-8.968632639500001,-2.9538468967,0.1055837382,0.1055837382,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ca-Eu-Gd-O-Sb,,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ca-Eu-Gd-O-Sb, expected CaEuGdSbO12 to be CaEuGdSbO6" +mp-1516953,CaEuGdSbO6,-8.930134413,-2.9153486703,0.1440819647,0.1440819647,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Gd-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Gd-O-Sb +mp-1228179,Ba4PrDy(Cu3O7)2,-6.4320420442,-2.1661776468,0.0331131079,0.0331131079,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Dy-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Dy-O-Pr, expected Ba8PrDy(Cu5O13)2 to be Ba4PrDy(Cu3O7)2" +mp-1186258,Nd2ZnRu,-5.2417564425,-0.2241461887,0.0390388788,0.0390388788,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Nd-Ru-Zn,4.0,A2BC_cF16_225_c_a_b:Nd-Ru-Zn +mp-1218066,SrNdZnRuO6,-7.158698825,-2.4915068947,0.0032114118,0.0032114118,GGA,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Nd-O-Ru-Sr-Zn,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Nd-O-Ru-Sr-Zn +mp-1517147,CaNdEuSbO6,-8.020899752,-2.93691149,0.1025223835,0.1025223835,GGA,P-4n2,ABCD6E_tP20_118_c_d_a_ei_b:Ca-Eu-Nd-O-Sb,20.0,ABCD6E_tP20_118_c_d_a_ei_b:Ca-Eu-Nd-O-Sb +mp-1517322,CaNdEuSbO6,-7.926936853,-2.842948591,0.1964852825,0.1964852825,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nd-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nd-O-Sb +mp-2230049,MgMn5Cr2O12,-8.3472468615,-2.0434110622,0.1568167843,0.1568167843,GGA+U,P1,A2BC5D12_aP20_1_2a_a_5a_12a:Cr-Mg-Mn-O,20.0,A2BC5D12_aP20_1_2a_a_5a_12a:Cr-Mg-Mn-O +mp-2230094,MgMn5Cr2O12,-8.366956088,-2.0631202887,0.1371075578,0.1371075578,GGA+U,P1,A2BC5D12_aP20_1_2a_a_5a_12a:Cr-Mg-Mn-O,20.0,A2BC5D12_aP20_1_2a_a_5a_12a:Cr-Mg-Mn-O +mp-2230064,MgMn5Cr2O12,-8.388870446,-2.0850346467,0.1151931998,0.1151931998,GGA+U,C2,A2BC5D12_mC40_5_ab_a_a2bc_6c:Cr-Mg-Mn-O,20.0,A2BC5D12_mC40_5_ab_a_a2bc_6c:Cr-Mg-Mn-O +mp-2228203,MgMn2Cr2O8,-7.9214343838,-1.8595947481,0.3925405704,0.3925405704,GGA+U,C2/m,A2BC2D8_mC26_12_i_b_ac_2ij:Cr-Mg-Mn-O,13.0,A2BC2D8_mC26_12_i_b_ac_2ij:Cr-Mg-Mn-O +mp-2218507,MgMn2Cr2O8,-8.0878315054,-2.0259918697,0.2261434488,0.2261434488,GGA+U,Amm2,A2BC2D8_oC26_38_ab_a_c_2cde:Cr-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_oC26_38_ab_a_c_4c2de:Cr-Mg-Mn-O, expected MgMn2Cr2O14 to be MgMn2Cr2O8" +mp-2218839,MgMn3CrO8,-8.1097794277,-2.085711498,0.0946828444,0.0946828444,GGA+U,P-1,ABC3D8_aP13_2_d_b_acg_4i:Cr-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_aP13_2_d_b_acg_7i:Cr-Mg-Mn-O, expected MgMn3CrO14 to be MgMn3CrO8" +mp-2227372,MgMn3CrO8,-8.1526020462,-2.1285341164,0.0518602259,0.0518602259,GGA+U,Cm,ABC3D8_mC26_8_a_a_ab_4a2b:Cr-Mg-Mn-O,13.0,ABC3D8_aP13_1_a_a_3a_8a:Cr-Mg-Mn-O +mp-1036104,Mg14MnCrO16,-6.6556190225,-2.8941814337,0.0337982966,0.0337982966,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cr-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cr-Mg-Mn-O, expected Mg18MnCrO20 to be Mg14MnCrO16" +mp-1036101,Mg14MnCrO16,-6.6406159522,-2.8791783634,0.0488013669,0.0488013669,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cr-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cr-Mg-Mn-O, expected Mg30MnCrO32 to be Mg14MnCrO16" +mp-1032686,Mg6MnCrO8,-6.97062768,-2.721236883,0.0806822782,0.0806822782,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cr-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cr-Mg-Mn-O, expected Mg6MnCrO12 to be Mg6MnCrO8" +mp-1032690,Mg6MnCrO8,-6.9744675944,-2.7250767974,0.0768423638,0.0768423638,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cr-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cr-Mg-Mn-O, expected Mg6MnCrO12 to be Mg6MnCrO8" +mp-1037910,Mg30MnCrO32,-6.4915600942000005,-2.9740991095,0.0169109053,0.0169109053,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cr-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cr-Mg-Mn-O, expected Mg110MnCrO72 to be Mg30MnCrO32" +mp-1037844,Mg30MnCrO32,-6.471912262,-2.9544512773,0.0365587375,0.0365587375,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cr-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cr-Mg-Mn-O, expected Mg90MnCrO80 to be Mg30MnCrO32" +mp-2230828,MgMn4Cr2O12,-8.1878580268,-2.0344527272,0.0770119021,0.0770119021,GGA+U,C2,A2BC4D12_mC38_5_c_a_2c_6c:Cr-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC4D12_mC38_5_c_a_2c_12c:Cr-Mg-Mn-O, expected MgMn4Cr2O24 to be MgMn4Cr2O12" +mp-1044058,LaZnFeBiO6,-6.9405583140000005,-2.1219189818,0.106370875,0.106370875,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Bi-Fe-La-O-Zn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_10a_a:Bi-Fe-La-O-Zn, expected LaZnFeBiO10 to be LaZnFeBiO6" +mp-1207088,ZnFeBi,-3.8269726933,0.69644529,0.7172587439,0.7172587439,GGA,F-43m,ABC_cF12_216_c_a_b:Bi-Fe-Zn,3.0,ABC_cF12_216_c_a_b:Bi-Fe-Zn +mp-1043115,Zn3Fe4(BiO4)6,-6.2394607219000005,-1.3901964105,0.0858010088,0.0858010088,GGA+U,P-1,A6B4C24D3_aP37_2_3i_2i_12i_ai:Bi-Fe-O-Zn,37.0,"Invalid WP multiplicities - A6B4C24D3_aP37_2_5i_2i_13i_ai:Bi-Fe-O-Zn, expected Zn3Fe4(Bi5O13)2 to be Zn3Fe4(BiO4)6" +mp-1044413,ZnFeBiO5,-6.2629003972,-1.4749382089,0.0666933766,0.0666933766,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Fe-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Fe-O-Zn, expected ZnFeBiO15 to be ZnFeBiO5" +mp-1042918,ZnFeBiO5,-6.2156338775,-1.4276716892,0.1139598963,0.1139598963,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Fe-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Fe-O-Zn, expected ZnFeBiO31 to be ZnFeBiO5" +mp-555517,ErCu3Se2ClO8,-5.964451162,-1.6125039536,0.0135039229,0.0135039229,GGA,Pmmn,AB3CD8E2_oP30_59_b_ac_a_2eg_e:Cl-Cu-Er-O-Se,30.0,"Invalid WP multiplicities - AB3CD8E2_oP30_59_b_a2c_a_8e6g_e:Cl-Cu-Er-O-Se, expected ErCu5Se2ClO40 to be ErCu3Se2ClO8" +mp-22472,Ba3CuRu2O9,-6.9800751447,-2.1183994799,0.0,-0.0419754687,GGA,Cmcm,A3BC9D2_oC60_63_cf_a_cfgh_f:Ba-Cu-O-Ru,30.0,A3BC9D2_oC60_63_cf_a_cfgh_f:Ba-Cu-O-Ru +mp-1214483,BaCuRu5O11,-7.4643388303,-1.5307960451,0.0495946806,0.0495946806,GGA,P6_3/mmc,ABC11D5_hP36_194_c_d_fhk_eg:Ba-Cu-O-Ru,36.0,ABC11D5_hP36_194_c_d_fhk_eg:Ba-Cu-O-Ru +mp-677030,Ba9La9Cu9Ru9O46,-7.1425585638,-2.1473756124,0.2558074005,0.2558074005,GGA,P1,A9B9C9D46E9_aP82_1_9a_9a_9a_46a_9a:Ba-Cu-La-O-Ru,82.0,A9B9C9D46E9_aP82_1_9a_9a_9a_46a_9a:Ba-Cu-La-O-Ru +mp-41057,BaLaCuRuO6,-7.256987225,-2.2661148728,0.0757074438,0.0757074438,GGA,I-4,ABCD6E_tI20_82_c_a_d_eg_b:Ba-Cu-La-O-Ru,10.0,"Invalid WP multiplicities - ABCD6E_tI20_82_c_a_d_2e2g_b:Ba-Cu-La-O-Ru, expected BaLaCuRuO12 to be BaLaCuRuO6" +mp-2223125,Sr2HfMgFeO6,-7.5990316836,-2.7729762778,0.3545661377,0.3545661377,GGA+U,Immm,ABCD6E2_oI22_71_a_b_c_el_f:Fe-Hf-Mg-O-Sr,11.0,ABCD6E2_oI22_71_a_b_c_el_f:Fe-Hf-Mg-O-Sr +mp-1022127,HfMg6Fe,-3.288206935,0.2154043825,0.2960892351,0.2960892351,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Fe-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Fe-Hf-Mg, expected HfMg12Fe to be HfMg6Fe" +mp-1022136,HfMg6Fe,-3.3311819306,0.1724293869,0.2531142395,0.2531142395,GGA,Amm2,ABC6_oC16_38_a_b_abde:Fe-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Fe-Hf-Mg, expected HfMg12Fe to be HfMg6Fe" +mp-1027901,HfMg14Fe,-2.4273252131,0.1246204706,0.1747022546,0.1747022546,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Fe-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Fe-Hf-Mg, expected HfMg18Fe to be HfMg14Fe" +mp-1027813,HfMg14Fe,-2.3829018419,0.1690438419,0.2191256259,0.2191256259,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Fe-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Fe-Hf-Mg, expected HfMg26Fe to be HfMg14Fe" +mp-1037499,HfMg30FeO32,-6.4656133028,-2.9542125137,0.0974186686,0.0974186686,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Fe-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Fe-Hf-Mg-O, expected HfMg90FeO80 to be HfMg30FeO32" +mp-1037441,HfMg30FeO32,-6.4483124081,-2.9369116191,0.1147195633,0.1147195633,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Fe-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Fe-Hf-Mg-O, expected HfMg110FeO72 to be HfMg30FeO32" +mp-1099238,HfMg6FeO8,-6.8885987569000005,-2.6634487425,0.3809550889,0.3809550889,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Fe-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Fe-Hf-Mg-O, expected HfMg6FeO12 to be HfMg6FeO8" +mp-1032124,HfMg6FeO8,-6.8848569312,-2.6597069169000003,0.3846969145,0.3846969145,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Fe-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Fe-Hf-Mg-O, expected HfMg6FeO12 to be HfMg6FeO8" +mp-1035541,HfMg14FeO16,-6.6031577944,-2.8538405969,0.1953814685,0.1953814685,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Fe-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Fe-Hf-Mg-O, expected HfMg18FeO20 to be HfMg14FeO16" +mp-1035468,HfMg14FeO16,-6.5866331987,-2.8373160012,0.2119060641,0.2119060641,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Fe-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Fe-Hf-Mg-O, expected HfMg30FeO32 to be HfMg14FeO16" +mp-1522994,EuHfCrSnO6,-8.7068560857,-2.3511618435,0.5931197719,0.5931197719,GGA+U,P222,ABCD6E_oP40_16_u_abch_u_6u_defg:Cr-Eu-Hf-O-Sn,40.0,ABCD6E_oP40_16_u_abch_u_6u_defg:Cr-Eu-Hf-O-Sn +mp-1523067,EuHfCrSnO6,-9.116491185,-2.7607969427,0.1834846726,0.1834846726,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Sn,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Sn +mp-1222282,LiNdSe2,-5.23722494,-1.8200016264,0.0644562961,0.0644562961,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Li-Nd-Se,4.0,ABC2_tP4_123_a_d_bc:Li-Nd-Se +mp-37605,LiNdSe2,-5.2949548975,-1.8777315839,0.0067263386,0.0067263386,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Li-Nd-Se,8.0,ABC2_tI16_141_a_b_e:Li-Nd-Se +mp-1218882,Sr2GdCr(CuO4)2,-7.7080183593,-2.3594412417,0.3550519972,0.3550519972,GGA+U,Amm2,AB2CD8E2_oC28_38_a_c_b_cdf_c:Cr-Cu-Gd-O-Sr,14.0,AB2CD8E2_tP14_123_b_g_c_egi_h:Cr-Cu-Gd-O-Sr +mp-2233264,NaMgCo2(MoO5)2,-7.4053106212,-1.8867088546,0.1103595968,0.1103595968,GGA+U,P1,A2BC2DE10_aP16_1_2a_a_2a_a_10a:Co-Mg-Mo-Na-O,16.0,A2BC2DE10_aP16_1_2a_a_2a_a_10a:Co-Mg-Mo-Na-O +mp-1517509,NaSrCeNbO6,-8.029393035,-3.1567385141,0.1197447549,0.1197447549,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-Na-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-Na-Nb-O-Sr +mp-1219440,Sc2FeB2Ru2Rh3,-8.141283372,-0.6277362068,0.024212513,0.024212513,GGA,Pbam,A2BC3D2E2_oP20_55_g_a_dh_h_g:B-Fe-Rh-Ru-Sc,20.0,A2BC3D2E2_oP20_55_g_a_dh_h_g:B-Fe-Rh-Ru-Sc +mp-542023,Sc2FeB2Rh5,-7.850881766,-0.7193535348,0.0,-0.0050686628,GGA,P4/mbm,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Rh-Sc,20.0,A2BC5D2_tP20_127_g_a_cj_g:B-Fe-Rh-Sc +mp-1219428,Sc2FeB2RuRh4,-8.0243630785,-0.7018253803000001,0.0,-0.0240616745,GGA,P4/mbm,A2BC4DE2_tP20_127_g_a_j_c_g:B-Fe-Rh-Ru-Sc,20.0,A2BC4DE2_tP20_127_g_a_j_c_g:B-Fe-Rh-Ru-Sc +mp-1219435,Sc2FeB2Ru4Rh,-8.411996152,-0.5164300528,0.035765346,0.035765346,GGA,P4/mbm,A2BCD4E2_tP20_127_g_a_c_j_g:B-Fe-Rh-Ru-Sc,20.0,A2BCD4E2_tP20_127_g_a_c_j_g:B-Fe-Rh-Ru-Sc +mp-1095879,ScFeRh2,-5.053917185,2.3288593288,2.8900827962,2.8900827962,GGA,Immm,AB2C_oI8_71_a_e_b:Fe-Rh-Sc,4.0,AB2C_oI8_71_a_e_b:Fe-Rh-Sc +mp-862372,Sc2RuRh,-8.1454101125,-0.8194979575,0.0,-0.03235465,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Ru-Sc,4.0,ABC2_cF16_225_a_b_c:Rh-Ru-Sc +mp-1219434,Sc2Fe3Ru,-8.2078885292,-0.3163211325,0.0016754983,0.0016754983,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Fe-Ru-Sc,12.0,A3BC2_hP12_194_h_a_f:Fe-Ru-Sc +mp-1342876,CaMnIrO6,-7.2824511378,-1.7617642912,0.0842344946,0.0842344946,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Ca-Ir-Mn-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_12a:Ca-Ir-Mn-O, expected CaMnIrO12 to be CaMnIrO6" +mp-1227846,Ca3LaMn2(IrO6)2,-7.743754333,-2.4280558218,0.063726196,0.063726196,GGA+U,P1,A3B2CD2E12_aP20_1_3a_2a_a_2a_12a:Ca-Ir-La-Mn-O,20.0,A3B2CD2E12_aP20_1_3a_2a_a_2a_12a:Ca-Ir-La-Mn-O +mp-1340405,Ca3Mn2(IrO6)2,-7.4032652953,-2.0675830258,0.0276241036,0.0276241036,GGA+U,P1,A3B2C2D12_aP19_1_3a_2a_2a_12a:Ca-Ir-Mn-O,19.0,A3B2C2D12_aP19_1_3a_2a_2a_12a:Ca-Ir-Mn-O +mp-39440,Ca2MnIrO6,-7.4679625155,-2.2987843655,0.0207102732,0.0207102732,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ca-Ir-Mn-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_10e:Ca-Ir-Mn-O, expected Ca2MnIrO20 to be Ca2MnIrO6" +mp-1205064,CrPt(NCl)5,-5.3378582231,0.2162533365,0.9429943849,0.9429943849,GGA,Pnma,A5BC5D_oP48_62_3cd_c_c2d_c:Cl-Cr-N-Pt,48.0,A5BC5D_oP48_62_3cd_c_c2d_c:Cl-Cr-N-Pt +mp-1214330,CrPtBr4N5Cl,-5.3101024777,0.1455063052,0.7673132791,0.7673132791,GGA,Pnma,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Cr-N-Pt,48.0,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Cr-N-Pt +mp-10374,Cr3PtN,-9.06558658,-0.392232449,0.0,-0.021796812,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cr-N-Pt,5.0,A3BC_cP5_221_c_b_a:Cr-N-Pt +mp-1234469,Ho8Mg(Ge2O7)4,-7.6994574787,-2.9494339728,0.1133286215,0.1133286215,GGA,C2,A8B8CD28_mC90_5_4c_4c_a_ab13c:Ge-Ho-Mg-O,45.0,"Invalid WP multiplicities - A8B8CD28_mC90_5_5c_8c_a_ab26c:Ge-Ho-Mg-O, expected Ho16Mg(Ge5O27)2 to be Ho8Mg(Ge2O7)4" +mp-16056,Ho2Cu(GeO3)4,-7.3228200247,-2.5272200055000003,0.0053432806,0.0053432806,GGA,P-1,AB4C2D12_aP19_2_a_2i_i_6i:Cu-Ge-Ho-O,19.0,"Invalid WP multiplicities - AB4C2D12_aP19_2_a_2i_i_7i:Cu-Ge-Ho-O, expected Ho2Cu(Ge2O7)2 to be Ho2Cu(GeO3)4" +mp-1212393,Ho2Cu(GeO4)2,-7.4928275,-2.7171667454,0.0252314129,0.0252314129,GGA,Cm,AB2C2D8_mC52_8_b_2ab_2b_4a6b:Cu-Ge-Ho-O,26.0,AB2C2D8_mC52_8_b_2ab_2b_4a6b:Cu-Ge-Ho-O +mp-2230345,Ho2MgCu(GeO3)4,-7.06009001,-2.4242559893,0.2158507272,0.2158507272,GGA,P-1,AB4C2DE12_aP20_2_a_2i_i_d_6i:Cu-Ge-Ho-Mg-O,20.0,"Invalid WP multiplicities - AB4C2DE12_aP20_2_a_2i_i_d_7i:Cu-Ge-Ho-Mg-O, expected Ho2MgCu(Ge2O7)2 to be Ho2MgCu(GeO3)4" +mp-39288,BaLaMgNbO6,-8.140518192,-3.3168482518,0.0903994566,0.0903994566,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-La-Mg-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-La-Mg-Nb-O +mp-695250,BaLa7Mg5Nb3O24,-8.309105526,-3.4716837981,0.039381979,0.039381979,GGA,P1,AB7C5D3E24_aP40_1_a_7a_5a_3a_24a:Ba-La-Mg-Nb-O,40.0,AB7C5D3E24_aP40_1_a_7a_5a_3a_24a:Ba-La-Mg-Nb-O +mp-1173097,BaLa7Mg5Nb3O24,-8.306343492,-3.4689217641,0.042144013,0.042144013,GGA,Cm,AB7C5D3E24_mC80_8_a_7a_5a_3a_8a8b:Ba-La-Mg-Nb-O,40.0,"Invalid WP multiplicities - AB7C5D3E24_mC80_8_a_7a_5a_3a_8a16b:Ba-La-Mg-Nb-O, expected BaLa7Mg5Nb3O40 to be BaLa7Mg5Nb3O24" +mp-695214,Ba9La3Mg5Nb7O36,-8.105232868,-3.2907307862,0.0473048763,0.0473048763,GGA,Pmm2,A9B3C5D7E36_oP60_25_b2ce2f_be_aef_a2def_2a2d2e2f6i:Ba-La-Mg-Nb-O,60.0,"Invalid WP multiplicities - A9B3C5D7E36_oP60_25_b2c2e4f_b2e_a2ef_a2d2e2f_2a2d4e4f22i:Ba-La-Mg-Nb-O, expected Ba15La5Mg7Nb11O108 to be Ba9La3Mg5Nb7O36" +mp-2217682,Ba2LaMgNbO6,-7.3858011891,-2.8261944307,0.3479236154,0.3479236154,GGA,Cm,A2BCDE6_mC22_8_2a_a_a_a_2a2b:Ba-La-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a3b:Ba-La-Mg-Nb-O, expected Ba2LaMgNbO8 to be Ba2LaMgNbO6" +mp-2226768,Ba2LaMgNbO6,-7.30811794,-2.7485111816,0.4256068645,0.4256068645,GGA,C2/m,A2BCDE6_mC22_12_i_b_a_c_ij:Ba-La-Mg-Nb-O,11.0,A2BCDE6_mC22_12_i_a_b_c_ij:Ba-La-Mg-Nb-O +mp-695278,Ba3La9Mg7Nb5O36,-8.2087511848,-3.3759133862,0.100546368,0.100546368,GGA,Pmm2,A3B9C7D5E36_oP60_25_be_b2ce2f_a2def_aef_2a2d2e2f6i:Ba-La-Mg-Nb-O,60.0,"Invalid WP multiplicities - A3B9C7D5E36_oP60_25_b2e_b2c2e4f_a2d2e2f_a2e2f_2a2d4e4f20i:Ba-La-Mg-Nb-O, expected Ba5La15Mg11Nb9O100 to be Ba3La9Mg7Nb5O36" +mp-1235575,BaLiZrO3,-7.0899915133,-2.5540474183,0.4941947022,0.4941947022,GGA,P4/mmm,ABC3D_tP6_123_a_b_ce_d:Ba-Li-O-Zr,6.0,ABC3D_tP6_123_a_b_ce_d:Ba-Li-O-Zr +mp-1236336,BaLiZrO3,-7.273346785,-2.7374026899,0.3108394305,0.3108394305,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Ba-Li-O-Zr,6.0,ABC3D_hR18_160_a_a_b_a:Ba-Li-O-Zr +mp-1517265,BaLiZrBiO6,-7.103052114,-2.5134301306,0.1295217149,0.1295217149,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Li-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Li-O-Zr +mp-1043917,CaLaFeAgO6,-6.9668525598,-2.1744209132,0.055042357,0.055042357,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ag-Ca-Fe-La-O,40.0,ABCDE6_mP20_7_a_a_a_a_6a:Ag-Ca-Fe-La-O +mp-1518457,SrEuHfCrO6,-9.347174601,-3.2234881989,0.0847085562,0.0847085562,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Sr +mp-1218267,SrGdFeCoO6,-8.442426137,-2.3400174404,0.0745801882,0.0745801882,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Co-Fe-Gd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Co-Fe-Gd-O-Sr +mp-1523003,BaCaPrBiO6,-6.955722742,-2.7331125448,0.0293042798,0.0293042798,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Ca-O-Pr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Ca-O-Pr, expected BaCaPrBiO12 to be BaCaPrBiO6" +mp-1522866,BaCaPrBiO6,-6.950029704,-2.7274195068,0.0349973178,0.0349973178,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Pr,40.0,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Pr +mp-1522981,BaCaPrBiO6,-6.8157503340000005,-2.5931401368,0.1692766878,0.1692766878,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Pr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Pr +mp-2227599,NaMgTi2BiO6,-7.2754564009,-2.5268736032,0.3751573618,0.3751573618,GGA,Cm,ABCD6E2_mC22_8_a_a_a_2a2b_b:Bi-Mg-Na-O-Ti,11.0,"Invalid WP multiplicities - ABCD6E2_mC22_8_a_a_a_2a3b_b:Bi-Mg-Na-O-Ti, expected NaMgTi2BiO8 to be NaMgTi2BiO6" +mp-2222772,NaMgTi2BiO6,-7.2395572355,-2.4909744378,0.4110565273,0.4110565273,GGA,R3,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti,11.0,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti +mp-2240138,NaMgTi2BiO6,-7.3839917782,-2.6354089805000003,0.2666219845,0.2666219845,GGA,R3,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti,11.0,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti +mp-2240324,NaMgTi2BiO6,-7.1830856755,-2.4345028778,0.4675280873,0.4675280873,GGA,R3,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti,11.0,ABCD6E2_hR33_146_a_a_a_2b_2a:Bi-Mg-Na-O-Ti +mp-560591,NaTi2Al5O12,-8.1252676145,-3.3651849639,0.0,-0.007932501,GGA,Pbam,A5BC12D2_oP40_55_bgh_c_3g3h_g:Al-Na-O-Ti,40.0,"Invalid WP multiplicities - A5BC12D2_oP40_55_2b2g2h_c_11g10h_g:Al-Na-O-Ti, expected NaTi2Al10O42 to be NaTi2Al5O12" +mp-1220885,NaTi3AlO8,-8.5840850577,-3.3280783759,0.0126920528,0.0126920528,GGA,Cm,ABC8D3_mC26_8_a_a_8a_3a:Al-Na-O-Ti,13.0,ABC8D3_mC26_8_a_a_8a_3a:Al-Na-O-Ti +mp-1213707,Cs3Li2Fe(MoO4)4,-7.4258516437,-2.1372480329,0.0166284848,0.0166284848,GGA+U,I-42d,A3BC2D4E16_tI104_122_ad_b_d_e_4e:Cs-Fe-Li-Mo-O,52.0,A3BC2D4E16_tI104_122_ad_b_d_e_4e:Cs-Fe-Li-Mo-O +mp-756964,Li4Fe2Co3Te3O16,-6.4454050943,-1.6426327967,0.0944113883,0.0944113883,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Te,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Te +mp-1224955,FeCoTe2,-5.646024985,-0.1797872871,0.1946263363,0.1946263363,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Fe-Te,4.0,ABC2_hP4_164_a_b_d:Co-Fe-Te +mp-761932,Fe3Co3(TeO8)2,-6.8363606854,-1.3293336778,0.1129495899,0.1129495899,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Fe-O-Te,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Fe-O-Te +mp-758114,Fe3Co3(TeO8)2,-6.7596664042,-1.2526393966,0.1896438712,0.1896438712,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Fe-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Fe-O-Te, expected Fe3Co3(TeO10)2 to be Fe3Co3(TeO8)2" +mp-1177425,Li4Fe3Co3(TeO8)2,-6.7183760482,-1.7253639179,0.0192315063,0.0192315063,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Fe-Li-O-Te,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Fe-Li-O-Te +mp-849468,Li4Fe3Co3(TeO8)2,-6.6737151061,-1.6807029758,0.0638924484,0.0638924484,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-Te, expected Li4Fe3Co3(TeO10)2 to be Li4Fe3Co3(TeO8)2" +mp-1228404,BaCaFe2Co2O7,-7.3140227773,-1.9518632536,0.0901541811,0.0901541811,GGA+U,Cm,ABC2D2E7_mC52_8_2a_2a_2ab_2ab_6a4b:Ba-Ca-Co-Fe-O,26.0,ABC2D2E7_mC52_8_2a_2a_2ab_2ab_6a4b:Ba-Ca-Co-Fe-O +mp-1517961,BaEuNbSnO6,-8.377232731,-2.7805341407,0.1816606246,0.1816606246,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Sn +mp-1223608,Mn2Fe3Cu10(SnS4)5,-5.296888948,-0.6093135098,0.0270894846,0.0270894846,GGA,I222,A10B3C2D20E5_oI80_23_g2k_be_e_5k_c2f:Cu-Fe-Mn-S-Sn,40.0,"Invalid WP multiplicities - A10B3C2D20E5_oI80_23_2g7k_b2e_e_19k_c4f:Cu-Fe-Mn-S-Sn, expected Mn2Fe5Cu32Sn9S76 to be Mn2Fe3Cu10(SnS4)5" +mp-686239,Sr5Li25La7Nb8O48,-7.2684778837,-2.8709070543,0.1035308803,0.1035308803,GGA,P1,A7B25C8D48E5_aP93_1_7a_25a_8a_48a_5a:La-Li-Nb-O-Sr,93.0,A7B25C8D48E5_aP93_1_7a_25a_8a_48a_5a:La-Li-Nb-O-Sr +mp-1517804,BaNdEuFeO6,-8.124763856,-2.615336091,0.20205646,0.20205646,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Fe-Nd-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Fe-Nd-O +mp-774791,Li4Mn3Cr3(TeO8)2,-7.4189333275,-2.0791293661,0.0321643297,0.0321643297,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Mn-O-Te, expected Li4Mn3Cr3(TeO10)2 to be Li4Mn3Cr3(TeO8)2" +mp-772061,Mn3Cr3(TeO8)2,-7.7543904987,-1.8427730215,0.0818920131,0.0818920131,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cr-Mn-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cr-Mn-O-Te, expected Mn3Cr3(TeO10)2 to be Mn3Cr3(TeO8)2" +mp-773319,Mn3Cr2Te3O16,-7.357756605,-1.7173783602,0.1396410066,0.1396410066,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Cr-Mn-O-Te,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Cr-Mn-O-Te, expected Mn3Cr2Te3O20 to be Mn3Cr2Te3O16" +mp-756917,Mn3Cr2Te3O16,-7.2382880658,-1.597909821,0.2591095458,0.2591095458,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Cr-Mn-O-Te,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Cr-Mn-O-Te, expected Mn3Cr2Te3O20 to be Mn3Cr2Te3O16" +mp-1209938,NaThTi2O6,-8.853311686,-3.4325617016,0.0763084545,0.0763084545,GGA,P4/mmm,AB6CD2_tP10_123_c_abi_d_g:Na-O-Th-Ti,10.0,AB6CD2_tP10_123_c_abi_d_g:Na-O-Th-Ti +mp-1221270,Na2ThTi3O9,-8.5415875313,-3.3238819788,0.081143662,0.081143662,GGA,P-3m1,A2B9CD3_hP15_164_d_ei_a_bd:Na-O-Th-Ti,15.0,"Invalid WP multiplicities - A2B9CD3_hP15_164_d_3e4i_a_bd:Na-O-Th-Ti, expected Na2ThTi3O33 to be Na2ThTi3O9" +mp-686371,Na11La7Th2Ti20O60,-8.6059046546,-3.4195175799,0.0167858104,0.0167858104,GGA,P1,A7B11C60D2E20_aP100_1_7a_11a_60a_2a_20a:La-Na-O-Th-Ti,100.0,A7B11C60D2E20_aP100_1_7a_11a_60a_2a_20a:La-Na-O-Th-Ti +mp-1173844,Na7La7Th2Ti18O54,-8.7832159119,-3.4664262529,0.0574810311,0.0574810311,GGA,Fmm2,A7B7C54D2E18_oF352_42_7a_7a_9b9c9d_2a_9b:La-Na-O-Th-Ti,88.0,"Invalid WP multiplicities - A7B7C54D2E18_oF352_42_7a_7a_18b18c18d_2a_18b:La-Na-O-Th-Ti, expected Na7La7Th2Ti36O108 to be Na7La7Th2Ti18O54" +mp-677292,Cs2CaAl4(SiO4)4,-7.6184419136,-3.1878123045,0.1167644162,0.1167644162,GGA,P1,A4BC2D16E4_aP81_1_12a_3a_6a_48a_12a:Al-Ca-Cs-O-Si,81.0,A4BC2D16E4_aP81_1_12a_3a_6a_48a_12a:Al-Ca-Cs-O-Si +mp-1250398,Cs2CaAl4(SiO4)4,-7.6328978817,-3.2022682727,0.102308448,0.102308448,GGA,P1,A4BC2D16E4_aP81_1_12a_3a_6a_48a_12a:Al-Ca-Cs-O-Si,81.0,A4BC2D16E4_aP81_1_12a_3a_6a_48a_12a:Al-Ca-Cs-O-Si +mp-1354389,Ba2CaCo2CuF14,-5.5769879935,-3.0309831152,0.0,-0.0005715835,GGA+U,C2,A2BC2DE14_mC80_5_2c_ab_2c_c_14c:Ba-Ca-Co-Cu-F,40.0,"Invalid WP multiplicities - A2BC2DE14_mC80_5_3c_ab_3c_c_25c:Ba-Ca-Co-Cu-F, expected Ba3CaCo3CuF25 to be Ba2CaCo2CuF14" +mp-758756,Li4Ti2Mn3Nb3O16,-8.4612773279,-2.7340039037,0.0846928883,0.0846928883,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Nb-O-Ti,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Nb-O-Ti, expected Li4Ti2Mn3Nb3O20 to be Li4Ti2Mn3Nb3O16" +mp-776061,Li4Ti3Mn3Nb2O16,-8.4847173196,-2.836222932,0.0414192974,0.0414192974,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Nb-O-Ti,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Nb-O-Ti, expected Li4Ti3Mn3Nb2O20 to be Li4Ti3Mn3Nb2O16" +mp-760948,Li4Ti3Mn2Nb3O16,-8.5271820304,-2.8451415803,0.0718922633,0.0718922633,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Mn-Nb-O-Ti,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Mn-Nb-O-Ti, expected Li4Ti3Mn2Nb3O20 to be Li4Ti3Mn2Nb3O16" +mp-616601,Ba2InRuO6,-6.8389863337,-2.2845694919,0.0,-0.0153396163,GGA,P-3m1,A2BC6D_hP30_164_c2d_ad_3i_bd:Ba-In-O-Ru,30.0,"Invalid WP multiplicities - A2BC6D_hP30_164_c3d_a2d_12i_bd:Ba-In-O-Ru, expected Ba8In5(RuO24)3 to be Ba2InRuO6" +mp-684013,Ba2In13Ir4,-4.2493023232,-0.3038510026,0.0,-0.0257356178,GGA,Cmc2_1,A2B13C4_oC76_36_2a_13a_4a:Ba-In-Ir,38.0,"Invalid WP multiplicities - A2B13C4_oC76_36_4a_25a_8a:Ba-In-Ir, expected Ba4In25Ir8 to be Ba2In13Ir4" +mp-1228718,Ba3InIrRuO9,-6.955293323,-2.2125170783,0.0,-0.0060057553,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_a_b_3c_b:Ba-In-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_a_b_5c_b:Ba-In-Ir-O-Ru, expected Ba5InIrRuO15 to be Ba3InIrRuO9" +mp-638553,Ba2InIrO6,-6.7002039067,-2.1893839009,0.0,-0.016525244,GGA,P-3m1,A2BCD6_hP30_164_c2d_ad_bd_3i:Ba-In-Ir-O,30.0,"Invalid WP multiplicities - A2BCD6_hP30_164_c4d_ad_bd_10i:Ba-In-Ir-O, expected Ba10In3(IrO20)3 to be Ba2InIrO6" +mp-22352,Ba3InRu2O9,-7.035022698,-2.2631818959,0.0,-0.0104747724,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-In-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-In-O-Ru +mp-1214916,Ba3InIr2O9,-6.8635524373,-2.1498407499,0.0,-0.0109187265,GGA,P6_3/mmc,A3BC2D9_hP30_194_bf_a_f_hk:Ba-In-Ir-O,30.0,A3BC2D9_hP30_194_bf_a_f_hk:Ba-In-Ir-O +mp-1095357,BaIn9Ir2,-3.9461162533,-0.2493665142,0.0,-4.8479e-05,GGA,P6/mmm,AB9C2_hP12_191_a_fm_c:Ba-In-Ir,12.0,AB9C2_hP12_191_a_fm_c:Ba-In-Ir +mp-22780,BaIn2Ir,-4.4336015112,-0.3684073663,0.0,-0.0069669588,GGA,Cmcm,AB2C_oC16_63_c_f_c:Ba-In-Ir,8.0,AB2C_oC16_63_c_f_c:Ba-In-Ir +mp-639150,BaIn4Ir,-3.9743622467,-0.3470049067,0.0011990579,0.0011990579,GGA,Pmma,AB4C_oP12_51_e_afj_e:Ba-In-Ir,12.0,"Invalid WP multiplicities - AB4C_oP12_51_e_2af2j_e:Ba-In-Ir, expected BaIn7Ir to be BaIn4Ir" +mp-1225533,Er2GaCu,-4.4900215725,-0.4243364944,0.025712055,0.025712055,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Cu-Er-Ga,4.0,AB2C_tP4_123_a_h_b:Cu-Er-Ga +mp-1225618,Er2Ga6Cu11,-4.0545132689,-0.2442349992,0.0218673832,0.0218673832,GGA,R-3m,A11B2C6_hR57_166_cdf_c_h:Cu-Er-Ga,19.0,A11B2C6_hR57_166_cdf_c_h:Cu-Er-Ga +mp-1225514,ErGa2Cu3,-4.1815082183,-0.3612530742,0.0,-0.0335428842,GGA,Cmmm,A3BC2_oC12_65_ah_c_e:Cu-Er-Ga,6.0,A3BC2_oC12_65_ah_c_e:Cu-Er-Ga +mp-1225597,Er2Ga3Cu,-4.31211837,-0.5922963104,0.0,-0.0414203905,GGA,P3m1,AB2C3_hP6_156_a_2b_a2c:Cu-Er-Ga,6.0,AB2C3_hP6_156_a_2b_a2c:Cu-Er-Ga +mp-541324,Sr2ErGaCu2O7,-6.6413081208,-2.5028438086,0.0239883101,0.0239883101,GGA,Ima2,A2BCD7E2_oI52_46_c_a_b_b3c_c:Cu-Er-Ga-O-Sr,26.0,A2BCD7E2_oI52_46_c_a_b_b3c_c:Cu-Er-Ga-O-Sr +mp-1519810,NaLaNbInO6,-7.624141368,-2.7449760244,0.1847387915,0.1847387915,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:In-La-Na-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:In-La-Na-Nb-O +mp-1519016,BaEuHfNbO6,-9.608404628,-3.4169443202,0.052069121,0.052069121,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Hf-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-Hf-Nb-O +mp-1232136,PrMgSe3,-4.748535748,-1.3747517004,0.388387465,0.388387465,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Pr-Se,10.0,ABC3_mC20_12_g_i_ij:Mg-Pr-Se +mp-1232200,PrMgSe3,-4.8449085537,-1.4711245061,0.2920146593,0.2920146593,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-Pr-Se,30.0,ABC3_hR30_148_c_c_f:Mg-Pr-Se +mp-1232190,Pr2MgSe4,-5.3382002511,-1.745952041,0.2288086516,0.2288086516,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Pr-Se,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Pr-Se +mp-1232188,Pr2MgSe4,-5.5229135111000005,-1.930665301,0.0440953916,0.0440953916,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Pr-Se,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Pr-Se +mp-1232183,Pr2MgSe4,-5.5187155846,-1.9264673746,0.048293318,0.048293318,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Pr-Se,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Pr-Se +mp-1232189,Pr2MgSe4,-5.4661730921,-1.8739248821,0.1008358105,0.1008358105,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Pr-Se,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Pr-Se +mp-1232245,Pr2MgSe4,-5.37981026,-1.7875620499,0.1871986427,0.1871986427,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Pr-Se,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Pr-Se +mp-1232185,Pr2MgSe4,-5.4932849943,-1.9010367842,0.0737239084,0.0737239084,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Pr-Se,14.0,AB2C4_tI28_122_a_d_e:Mg-Pr-Se +mp-1232394,Pr2MgSe4,-5.5019024043,-1.9096541942,0.0651064984,0.0651064984,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Pr-Se,14.0,AB2C4_cF56_227_a_d_e:Mg-Pr-Se +mp-2223632,TmMgSb(PbO3)2,-6.64285535,-2.3418968845,0.0958529483,0.0958529483,GGA,P1,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Pb-Sb-Tm,11.0,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Pb-Sb-Tm +mp-2240173,TmMgSb(PbO3)2,-6.5794224482,-2.2784639827,0.1592858501,0.1592858501,GGA,R3,AB6C2DE_hR33_146_a_2b_2a_a_a:Mg-O-Pb-Sb-Tm,11.0,AB6C2DE_hR33_146_a_2b_2a_a_a:Mg-O-Pb-Sb-Tm +mp-2222815,MgSb2PbO6,-6.212700913,-1.8875947262,0.1802344543,0.1802344543,GGA,P312,AB6CD2_hP10_149_a_l_c_bf:Mg-O-Pb-Sb,10.0,AB6CD2_hP10_149_a_l_c_bf:Mg-O-Pb-Sb +mp-752411,Tm2Pb2O7,-7.1856695218,-2.5489617068,0.021082373,0.021082373,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pb-Tm,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_a2f_d_c:O-Pb-Tm, expected Tm2Pb2O13 to be Tm2Pb2O7" +mp-1079670,TmSb(PbO3)2,-6.892876685,-2.3218503779,0.0019986425,4.26836e-05,GGA,C2/m,A6B2CD_mC20_12_ij_i_a_d:O-Pb-Sb-Tm,10.0,A6B2CD_mC20_12_ij_i_a_c:O-Pb-Sb-Tm +mp-865526,TmSb(PbO3)2,-6.8948753275,-2.3238490204,0.0,-0.0019559589,GGA,C2/c,A6B2CD_mC40_15_3f_f_c_e:O-Pb-Sb-Tm,20.0,A6B2CD_mC40_15_3f_f_a_e:O-Pb-Sb-Tm +mp-1080812,TmSb(PbO3)2,-6.890610531,-2.3195842239,0.0042647965,0.0023088376,GGA,R-3,A6B2CD_hR30_148_f_c_a_b:O-Pb-Sb-Tm,10.0,A6B2CD_hR30_148_f_c_a_b:O-Pb-Sb-Tm +mp-1214892,BaCr2(RuO3)4,-8.046796123,-1.8529569349,0.0369514076,0.0369514076,GGA+U,P4,AB2C12D4_tP76_75_2a2b_2d_12d_4d:Ba-Cr-O-Ru,76.0,AB2C12D4_tP76_75_2a2b_2d_12d_4d:Ba-Cr-O-Ru +mp-559863,Ba6Na2Cr2Ru2O17,-7.0993813212,-2.4060189647,0.0042654453,0.0042654453,GGA+U,P6_3/mmc,A6B2C2D17E2_hP58_194_ab2f_f_e_fh2k_f:Ba-Cr-Na-O-Ru,58.0,"Invalid WP multiplicities - A6B2C2D17E2_hP58_194_a2b4f_f_e_4f5h17k_f:Ba-Cr-Na-O-Ru, expected Ba11Na2Cr2Ru2O125 to be Ba6Na2Cr2Ru2O17" +mp-1221868,MnCoCu4(SnS4)2,-5.2280152844,-0.6168963836,0.0194060894,0.0194060894,GGA,P1,AB4CD8E2_aP16_1_a_4a_a_8a_2a:Co-Cu-Mn-S-Sn,16.0,AB4CD8E2_aP16_1_a_4a_a_8a_2a:Co-Cu-Mn-S-Sn +mp-1221637,MnCoCuSn,-6.0520144,0.042763503,0.108998989,0.108998989,GGA,F-43m,ABCD_cF16_216_a_b_c_d:Co-Cu-Mn-Sn,4.0,ABCD_cF16_216_a_b_c_d:Co-Cu-Mn-Sn +mp-1222130,MnCo4Cu10(SnS4)5,-5.1180348235,-0.5839295789,0.0405389441,0.0405389441,GGA,I-4,A4B10CD20E5_tI80_82_2e_ac2e2f_b_5g_d2f:Co-Cu-Mn-S-Sn,40.0,"Invalid WP multiplicities - A4B10CD20E5_tI80_82_3e_ac3e3f_b_20g_d3f:Co-Cu-Mn-S-Sn, expected MnCo6Cu14Sn7S80 to be MnCo4Cu10(SnS4)5" +mp-1046171,Ca2Ta2CrO8,-9.093458975,-3.1739734227,0.0927901001,0.0927901001,GGA+U,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Ca-Cr-O-Ta,52.0,A2BC8D2_aP26_2_2i_i_8i_2i:Ca-Cr-O-Ta +mp-1040806,CaLaTaCrO6,-9.1067573392,-3.293500904,0.0351453209,0.0351453209,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-Ta,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-Ta +mp-1345721,Ca2TaCrO6,-8.7320578457,-3.211842133,0.0231553387,5.6076800000000005e-05,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Cr-O-Ta,40.0,A2BC6D_mP20_11_2e_a_2e2f_c:Ca-Cr-O-Ta +mp-1214103,Ca2TaCrO6,-8.7552131845,-3.2349974717,0.0,-0.0230992619,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Cr-O-Ta,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Cr-O-Ta +mp-1040828,LaCrAgO6,-7.1129623122,-1.8794353294,0.0860463933,0.0860463933,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Ag-Cr-La-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_12a:Ag-Cr-La-O, expected LaCrAgO12 to be LaCrAgO6" +mp-1049227,LaMgCrAgO6,-7.060693154,-2.1904908644,0.193481759,0.193481759,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ag-Cr-La-Mg-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_12a:Ag-Cr-La-Mg-O, expected LaMgCrAgO12 to be LaMgCrAgO6" +mp-862301,Ba2ScFeAsO3,-7.2120317434,-2.4445786517,0.0579975378,0.0579975378,GGA+U,P4/nmm,AB2CD3E_tP16_129_c_2c_a_cf_c:As-Ba-Fe-O-Sc,32.0,AB2CD3E_tP16_129_c_2c_a_cf_c:As-Ba-Fe-O-Sc +mp-1226277,Cs2Zr2Mn(MoO4)6,-8.4286265277,-2.3759793555,0.0029628189,0.0029628189,GGA+U,P-1,A2BC6D24E2_aP35_2_i_d_3i_12i_bc:Cs-Mn-Mo-O-Zr,35.0,"Invalid WP multiplicities - A2BC6D24E2_aP35_2_i_d_6i_24i_bc:Cs-Mn-Mo-O-Zr, expected Cs2Zr2Mn(MoO4)12 to be Cs2Zr2Mn(MoO4)6" +mp-1213801,Cs2Mn2(MoO4)3,-8.0371445455,-2.1417734827,0.0,-0.022322273,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Mn-Mo-O,76.0,A2B2C3D12_cP76_198_2a_2a_b_4b:Cs-Mn-Mo-O +mp-1226199,Cs2ZrMn(MoO4)4,-8.2565059979,-2.3385834777,0.0,-0.0177462008,GGA+U,C2/m,A2BC4D16E_mC48_12_i_a_2i_4i2j_d:Cs-Mn-Mo-O-Zr,48.0,A2BC4D16E_mC48_12_i_a_2i_4i2j_c:Cs-Mn-Mo-O-Zr +mp-1227467,Ca2LaNdMn4O12,-8.2488897085,-2.7627057085,0.0545961437,0.0545961437,GGA+U,Pm,A2BC4DE12_mP20_6_ab_a_2c_b_2a2b4c:Ca-La-Mn-Nd-O,20.0,"Invalid WP multiplicities - A2BC4DE12_mP20_6_ab_a_4c_b_2a2b8c:Ca-La-Mn-Nd-O, expected Ca2LaNdMn8O20 to be Ca2LaNdMn4O12" +mp-1046805,Ca4Fe5(TeO6)3,-7.018677803,-2.0572504679,0.128101783,0.128101783,GGA+U,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Ca-Fe-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Ca-Fe-O-Te, expected Ca12Fe9(TeO14)5 to be Ca4Fe5(TeO6)3" +mp-1233928,CaLa2Fe2(TeO6)2,-7.3233474147,-2.3515298973,0.1557924806,0.1557924806,GGA+U,P1,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Fe-La-O-Te,19.0,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Fe-La-O-Te +mp-1234351,CaLa2Fe2(TeO6)2,-7.3002758,-2.3284582825,0.1788640953,0.1788640953,GGA+U,P312,AB2C2D12E2_hP19_149_e_ad_i_2l_bc:Ca-Fe-La-O-Te,19.0,"Invalid WP multiplicities - AB2C2D12E2_hP19_149_e_ad_i_3l_bc:Ca-Fe-La-O-Te, expected CaLa2Fe2(TeO9)2 to be CaLa2Fe2(TeO6)2" +mp-36031,Ca(LaTe2)2,-5.3379399979,-1.8449631888,0.0130010805,0.0130010805,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-La-Te,14.0,AB2C4_tI28_122_a_d_e:Ca-La-Te +mp-1521691,NaPrZrFeO6,-7.949343134,-2.6692146184,0.1601868803,0.1601868803,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Pr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Pr-Zr +mp-1519261,NaSrPrFeO6,-6.737115722,-2.1428079241,0.1764032834,0.1764032834,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Fe-Na-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Fe-Na-O-Pr-Sr +mp-1224654,GdTiNbBi2O9,-8.8884728136,-2.8688945309,0.0067344107,0.0067344107,GGA,P2_1,A2BCD9E_mP28_4_2a_a_a_9a_a:Bi-Gd-Nb-O-Ti,28.0,"Invalid WP multiplicities - A2BCD9E_mP28_4_4a_a_a_17a_a:Bi-Gd-Nb-O-Ti, expected GdTiNbBi4O17 to be GdTiNbBi2O9" +mp-2218226,Ba2MgCu3(BrO2)2,-4.9029002142,-1.5171784271000002,0.4953099658,0.4953099658,GGA,I4/mmm,A2B2C3DE4_tI24_139_e_d_ac_b_h:Ba-Br-Cu-Mg-O,12.0,A2B2C3DE4_tI24_139_e_d_ac_b_h:Ba-Br-Cu-Mg-O +mp-1523280,BaEuZrNbO6,-9.403754979,-3.3532435113,0.0601036003,0.0601036003,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nb-O-Zr +mp-2217823,La2MgTiZnO6,-7.6240172945,-3.0505934623,0.308486297,0.308486297,GGA,P1,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Ti-Zn,11.0,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Ti-Zn +mp-2218055,La2MgTiZnO6,-7.4212269373,-2.8478031051,0.5112766543,0.5112766543,GGA,R3,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Ti-Zn,11.0,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Ti-Zn +mp-2222864,La2MgTiZnO6,-7.5223485082,-2.948924676,0.4101550834,0.4101550834,GGA,R3,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Ti-Zn,11.0,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Ti-Zn +mp-2233846,CsMgAl(MoO4)2,-7.2542483185,-2.0614738445,0.4729629628,0.4729629628,GGA+U,P3m1,ABCD2E8_hP13_156_b_b_a_ac_ac2d:Al-Cs-Mg-Mo-O,13.0,ABCD2E8_hP13_156_b_b_a_ac_ac2d:Al-Cs-Mg-Mo-O +mp-2234041,CsMgAl(MoO4)2,-7.3213123092,-2.1285378352,0.405898972,0.405898972,GGA+U,P3m1,ABCD2E8_hP13_156_a_a_a_bc_bc2d:Al-Cs-Mg-Mo-O,13.0,ABCD2E8_hP13_156_a_a_a_bc_bc2d:Al-Cs-Mg-Mo-O +mp-2222850,Sr2MgFeCoO6,-6.7116517191,-2.1445846073,0.2640819935,0.2640819935,GGA+U,Immm,ABCD6E2_oI22_71_a_b_c_el_f:Co-Fe-Mg-O-Sr,11.0,"Invalid WP multiplicities - ABCD6E2_oI22_71_a_b_c_2e3l_f:Co-Fe-Mg-O-Sr, expected Sr2MgFeCoO16 to be Sr2MgFeCoO6" +mp-1039906,SrMg30SiO32,-6.2694224597,-2.9347779012,0.1156124691,0.1156124691,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-Sr,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-Sr, expected SrMg110SiO72 to be SrMg30SiO32" +mp-1039905,SrMg30SiO32,-6.2670570908,-2.9324125323,0.117977838,0.117977838,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-Sr,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-Sr, expected SrMg90SiO80 to be SrMg30SiO32" +mp-1030826,SrMg6SiO8,-6.1160397644,-2.5979146723,0.4415259109,0.4415259109,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-Sr,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-Sr, expected SrMg6SiO12 to be SrMg6SiO8" +mp-1030841,SrMg6SiO8,-6.0835481756,-2.5654230835,0.4740174996,0.4740174996,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-Sr,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-Sr, expected SrMg6SiO12 to be SrMg6SiO8" +mp-554641,Sr3Mg(SiO4)2,-7.4569366907,-3.378871965,0.0093247352,0.0093247352,GGA,C2/c,AB8C2D3_mC56_15_a_4f_f_ef:Mg-O-Si-Sr,28.0,"Invalid WP multiplicities - AB8C2D3_mC56_15_c_8f_f_ef:Mg-O-Si-Sr, expected Sr3Mg(SiO8)2 to be Sr3Mg(SiO4)2" +mp-677497,SrMg2Al6(Si3O10)3,-8.0014423604,-3.3224416908,0.0329730201,0.0329730201,GGA,P1,A6B2C30D9E_aP96_1_12a_4a_60a_18a_2a:Al-Mg-O-Si-Sr,96.0,A6B2C30D9E_aP96_1_12a_4a_60a_18a_2a:Al-Mg-O-Si-Sr +mp-1034698,SrMg14SiO16,-6.1993800191,-2.8035752827,0.2431651586,0.2431651586,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-Sr,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-Sr, expected SrMg18SiO20 to be SrMg14SiO16" +mp-1034686,SrMg14SiO16,-6.2049597409,-2.8091550046,0.2375854367,0.2375854367,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-Sr,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-Sr, expected SrMg30SiO32 to be SrMg14SiO16" +mp-1246991,Sr2MgSi2O7,-7.5813006169,-3.3765736173,0.0260233873,0.0012470798,GGA,P2_1/c,AB7C2D2_mP48_14_e_7e_2e_2e:Mg-O-Si-Sr,48.0,"Invalid WP multiplicities - AB7C2D2_mP48_14_e_25e_8e_4e:Mg-O-Si-Sr, expected Sr4MgSi8O25 to be Sr2MgSi2O7" +mp-6564,Sr2MgSi2O7,-7.6073240042,-3.4025970045,0.0,-0.0247763075,GGA,P-42_1m,AB7C2D2_tP24_113_a_cef_e_e:Mg-O-Si-Sr,24.0,"Invalid WP multiplicities - AB7C2D2_tP24_113_a_c2ef_e_e:Mg-O-Si-Sr, expected Sr2MgSi2O9 to be Sr2MgSi2O7" +mp-1208707,SrLiTi3Cr2O11,-8.6316310736,-3.0202664551,0.0350100563,0.0350100563,GGA+U,Pnma,A2BC11DE3_oP72_62_d_c_5c3d_c_3c:Cr-Li-O-Sr-Ti,72.0,A2BC11DE3_oP72_62_d_c_5c3d_c_3c:Cr-Li-O-Sr-Ti +mp-1173174,SrLiTi4CrO11,-8.7891989703,-3.2754763214,0.0071052999,0.0071052999,GGA+U,P2_1/c,ABC11DE4_mP72_14_e_e_11e_e_4e:Cr-Li-O-Sr-Ti,72.0,"Invalid WP multiplicities - ABC11DE4_mP72_14_e_e_40e_e_13e:Cr-Li-O-Sr-Ti, expected SrLiTi13CrO40 to be SrLiTi4CrO11" +mp-1218301,SrLiTi4CrO11,-8.7837531403,-3.2700304914,0.0125511299,0.0125511299,GGA+U,Pna2_1,ABC11DE4_oP72_33_a_a_11a_a_4a:Cr-Li-O-Sr-Ti,72.0,"Invalid WP multiplicities - ABC11DE4_oP72_33_a_a_26a_a_4a:Cr-Li-O-Sr-Ti, expected SrLiTi4CrO26 to be SrLiTi4CrO11" +mp-1173163,SrLiTi4CrO11,-8.7675425896,-3.2538199407,0.0287616806,0.0287616806,GGA+U,Pnma,ABC11DE4_oP72_62_c_c_5c3d_c_2cd:Cr-Li-O-Sr-Ti,72.0,"Invalid WP multiplicities - ABC11DE4_oP72_62_c_c_18c11d_c_5c3d:Cr-Li-O-Sr-Ti, expected SrLiTi11CrO40 to be SrLiTi4CrO11" +mp-1218260,SrLiTi4CrO11,-8.7734592611,-3.2597366122,0.0228450091,0.0228450091,GGA+U,Pnma,ABC11DE4_oP72_62_c_c_5c3d_c_2cd:Cr-Li-O-Sr-Ti,72.0,ABC11DE4_oP72_62_c_c_5c3d_c_2cd:Cr-Li-O-Sr-Ti +mp-776780,Li4Ti3Cr3(SnO8)2,-7.929870711399999,-2.6638895323,0.0294054094,0.0294054094,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Cr-Li-O-Sn-Ti, expected Li4Ti3Cr3(SnO10)2 to be Li4Ti3Cr3(SnO8)2" +mp-776772,Li4Ti2Cr3Sn3O16,-7.5930790768,-2.4658807605,0.075708812,0.075708812,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-Sn-Ti, expected Li4Ti2Cr3Sn3O20 to be Li4Ti2Cr3Sn3O16" +mp-2233216,MgTi2(FeO2)4,-8.1810258973,-2.1247019898,0.303944214,0.303944214,GGA+U,P-1,A4BC8D2_aP15_2_bei_c_4i_ad:Fe-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_aP15_2_be2i_c_7i_ad:Fe-Mg-O-Ti, expected MgTi2(Fe3O7)2 to be MgTi2(FeO2)4" +mp-2232832,MgTi2(FeO2)4,-8.158672784,-2.1023488764,0.3262973273,0.3262973273,GGA+U,C2/m,A4BC8D2_mC30_12_ei_b_2ij_ac:Fe-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_f2i_b_3i2j_ac:Fe-Mg-O-Ti, expected MgTi2(Fe3O7)2 to be MgTi2(FeO2)4" +mp-2233035,MgTi2(FeO2)4,-8.1737235133,-2.1173996058,0.311246598,0.311246598,GGA+U,C2/m,A4BC8D2_mC30_12_aci_b_2ij_e:Fe-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bc2i_a_4ij_f:Fe-Mg-O-Ti, expected MgTi2(FeO2)6 to be MgTi2(FeO2)4" +mp-2232779,MgTi2(FeO2)4,-7.8289522093,-1.7726283018000002,0.656017902,0.656017902,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Ti,15.0,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-Ti +mp-2215958,MgTiFeO4,-8.15240943,-2.7591882698,0.071240465,0.071240465,GGA+U,P1,ABC4D_aP7_1_a_a_4a_a:Fe-Mg-O-Ti,7.0,ABC4D_aP7_1_a_a_4a_a:Fe-Mg-O-Ti +mp-2215853,MgTiFeO4,-8.0867328514,-2.6935116912,0.1369170436,0.1369170436,GGA+U,Imm2,ABC4D_oI14_44_a_a_2a2b_b:Fe-Mg-O-Ti,7.0,ABC4D_oI14_44_a_a_2a2b_b:Fe-Mg-O-Ti +mp-2215998,MgTiFeO4,-8.0177778843,-2.624556724,0.2058720107,0.2058720107,GGA+U,Imm2,ABC4D_oI14_44_b_a_2a2b_a:Fe-Mg-O-Ti,7.0,ABC4D_oI14_44_b_a_2a2b_a:Fe-Mg-O-Ti +mp-2228488,MgTi(FeO2)4,-7.885975915,-1.9610211581,0.2801644507,0.2801644507,GGA+U,P-1,A4BC8D_aP14_2_bdi_e_4i_c:Fe-Mg-O-Ti,14.0,"Invalid WP multiplicities - A4BC8D_aP14_2_bd2i_e_7i_c:Fe-Mg-O-Ti, expected MgTi(Fe3O7)2 to be MgTi(FeO2)4" +mp-2228463,MgTi(FeO2)4,-8.1073945221,-2.1824397652,0.0587458436,0.0587458436,GGA+U,C2/m,A4BC8D_mC28_12_ei_a_2ij_c:Fe-Mg-O-Ti,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_e2i_a_3i2j_d:Fe-Mg-O-Ti, expected MgTi(Fe3O7)2 to be MgTi(FeO2)4" +mp-2228537,MgTi(FeO2)4,-8.0031547071,-2.0781999502,0.1629856586,0.1629856586,GGA+U,C2/m,A4BC8D_mC28_12_ei_a_2ij_b:Fe-Mg-O-Ti,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_f2i_a_3i2j_b:Fe-Mg-O-Ti, expected MgTi(Fe3O7)2 to be MgTi(FeO2)4" +mp-2224156,MgTi2(FeO3)2,-8.2524783055,-2.433256599,0.33956803,0.33956803,GGA+U,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Fe-Mg-O-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_6i_i:Fe-Mg-O-Ti, expected MgTi2(FeO6)2 to be MgTi2(FeO3)2" +mp-2240030,MgTi2(FeO3)2,-8.2870196982,-2.4677979917,0.3050266373,0.3050266373,GGA+U,P-1,A2BC6D2_aP11_2_i_a_3i_i:Fe-Mg-O-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_6i_i:Fe-Mg-O-Ti, expected MgTi2(FeO6)2 to be MgTi2(FeO3)2" +mp-2227677,MgTi2(FeO3)2,-8.1728390736,-2.3536173672,0.4192072618,0.4192072618,GGA+U,Amm2,A2BC6D2_oC22_38_ab_a_ab2c_c:Fe-Mg-O-Ti,11.0,A2BC6D2_oC22_38_ab_a_ab2c_c:Fe-Mg-O-Ti +mp-2242328,MgTi2(FeO3)2,-8.1288853964,-2.3096636899,0.4631609391,0.4631609391,GGA+U,Amm2,A2BC6D2_oC22_38_ab_a_ab2c_c:Fe-Mg-O-Ti,11.0,A2BC6D2_oC22_38_ab_a_ab2c_c:Fe-Mg-O-Ti +mp-2222839,MgTi2(FeO3)2,-8.2561106409,-2.4368889345,0.3359356945,0.3359356945,GGA+U,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Fe-Mg-O-Ti,11.0,A2BC6D2_hR33_146_2a_a_2b_2a:Fe-Mg-O-Ti +mp-2227414,MgTi2(FeO3)2,-8.3241444627,-2.5049227563,0.2679018727,0.2679018727,GGA+U,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Fe-Mg-O-Ti,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Fe-Mg-O-Ti +mp-2230003,MgTi4(FeO4)3,-8.562905481,-2.6652766669,0.2250149635,0.2250149635,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Fe-Mg-O-Ti,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Fe-Mg-O-Ti +mp-2229993,MgTi4(FeO4)3,-8.6512864385,-2.7536576244,0.136634006,0.136634006,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Fe-Mg-O-Ti,20.0,A3BC12D4_cI40_204_b_a_g_c:Fe-Mg-O-Ti +mp-1032516,Mg6TiFeO8,-6.8212435025,-2.7249495515,0.2381282883,0.2381282883,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Ti, expected Mg6TiFeO12 to be Mg6TiFeO8" +mp-1032532,Mg6TiFeO8,-6.7976301387,-2.7013361877,0.261741652,0.261741652,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Ti, expected Mg6TiFeO12 to be Mg6TiFeO8" +mp-1221997,MgTi4FeO10,-8.9197262991,-3.2247790216,0.0,-0.0004252978,GGA+U,Amm2,ABC10D4_oC32_38_a_b_ab4c_2c:Fe-Mg-O-Ti,32.0,ABC10D4_oC32_38_a_b_ab4c_2c:Fe-Mg-O-Ti +mp-1035726,Mg14TiFeO16,-6.5539097566,-2.8690205907,0.1395384788,0.1395384788,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Ti, expected Mg18TiFeO20 to be Mg14TiFeO16" +mp-1035770,Mg14TiFeO16,-6.5736402991,-2.8887511332,0.1198079363,0.1198079363,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Ti, expected Mg30TiFeO32 to be Mg14TiFeO16" +mp-1037799,Mg30TiFeO32,-6.4484062605,-2.9692194872,0.0620801972,0.0620801972,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Ti, expected Mg110TiFeO72 to be Mg30TiFeO32" +mp-1036996,Mg30TiFeO32,-6.4486074619,-2.9694206886,0.0618789958,0.0618789958,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Ti, expected Mg90TiFeO80 to be Mg30TiFeO32" +mp-2229085,MgTi2(Fe2O5)2,-8.3054014218,-2.3796228314,0.0947694215,0.0947694215,GGA+U,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Fe-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Fe-Mg-O-Ti +mp-2229033,MgTi2(Fe2O5)2,-8.3212461171,-2.3954675267,0.0789247262,0.0789247262,GGA+U,P1,A4BC10D2_aP17_1_4a_a_10a_2a:Fe-Mg-O-Ti,17.0,A4BC10D2_aP17_1_4a_a_10a_2a:Fe-Mg-O-Ti +mp-2229034,MgTi2(Fe2O5)2,-8.2825322171,-2.3567536267,0.1176386262,0.1176386262,GGA+U,Pm,A4BC10D2_mP17_6_2c_a_ab4c_ab:Fe-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_mP17_6_3c_a_ab7c_ab:Fe-Mg-O-Ti, expected MgTi2(Fe3O8)2 to be MgTi2(Fe2O5)2" +mp-2229272,MgTi2(Fe2O5)2,-8.2885389947,-2.3627604044,0.1116318485,0.1116318485,GGA+U,Cm,A4BC10D2_mC34_8_4a_a_10a_2a:Fe-Mg-O-Ti,17.0,A4BC10D2_mC34_8_4a_a_10a_2a:Fe-Mg-O-Ti +mp-2229021,MgTi2(Fe2O5)2,-8.2617951065,-2.3360165161,0.1383757368,0.1383757368,GGA+U,Cm,A4BC10D2_mC34_8_4a_a_10a_2a:Fe-Mg-O-Ti,17.0,A4BC10D2_mC34_8_4a_a_10a_2a:Fe-Mg-O-Ti +mp-2229303,MgTi2(Fe2O5)2,-8.2523430529,-2.3265644626,0.1478277903,0.1478277903,GGA+U,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Fe-Mg-O-Ti,17.0,A4BC10D2_mC34_12_2i_a_5i_i:Fe-Mg-O-Ti +mp-2228914,MgTi4(FeO5)2,-8.6668608624,-2.8086739418,0.2264121962,0.2264121962,GGA+U,Amm2,A2BC10D4_oC34_38_ab_a_ab4c_2c:Fe-Mg-O-Ti,17.0,"Invalid WP multiplicities - A2BC10D4_oC34_38_ab_a_ab7c_3c:Fe-Mg-O-Ti, expected MgTi6(FeO8)2 to be MgTi4(FeO5)2" +mp-1227669,Ca4Al6CrO16,-7.6470489281,-3.2286814707,0.0,-0.0001352348,GGA+U,I-4,A6B4CD16_tI54_82_abg_g_c_4g:Al-Ca-Cr-O,27.0,"Invalid WP multiplicities - A6B4CD16_tI54_82_ab3g_g_c_13g:Al-Ca-Cr-O, expected Ca4Al14CrO52 to be Ca4Al6CrO16" +mp-30174,Ca4Al51Cr7,-4.4675433795,-0.1672514579,0.0,-0.0077162349,GGA,P-3m1,A51B4C7_hP62_164_eh5ij_2d_ai:Al-Ca-Cr,62.0,"Invalid WP multiplicities - A51B4C7_hP62_164_eh10ij_4d_ai:Al-Ca-Cr, expected Ca8Al81Cr7 to be Ca4Al51Cr7" +mp-1196837,Ca(Al10Cr)2,-4.3004646965,-0.1168468087,0.0052830656,0.0052830656,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Ca-Cr,46.0,A20BC2_cF184_227_cfg_a_d:Al-Ca-Cr +mp-18142,Ca(Al5Cr)2,-4.6996037327,-0.1790304158,0.0012491638,0.0012491638,GGA,P4/nmm,A10BC2_tP52_129_ghi2j_ac_i:Al-Ca-Cr,52.0,A10BC2_tP52_129_ghi2j_ac_i:Al-Ca-Cr +mp-1261316,Ca2AlCrO5,-7.8051601067,-3.1225749271,0.0129565415,0.0129565415,GGA+U,Ima2,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Cr-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Cr-O +mp-1218464,Sr4TlFe2O9,-6.763052555,-2.3517489437,0.0,-0.0090246712,GGA+U,Fmm2,A2B9C4D_oF64_42_c_a2ce_2c_a:Fe-O-Sr-Tl,16.0,A2B9C4D_oF64_42_c_a2ce_2c_a:Fe-O-Sr-Tl +mp-1218508,Sr3Tl(FeO4)2,-6.7874440457,-2.219967216,0.0077879816,0.0077879816,GGA+U,Pmm2,A2B8C3D_oP14_25_e_ad2ef_bf_c:Fe-O-Sr-Tl,14.0,"Invalid WP multiplicities - A2B8C3D_oP14_25_e_ad3e2f_bf_c:Fe-O-Sr-Tl, expected Sr3Tl(FeO6)2 to be Sr3Tl(FeO4)2" +mp-1045986,Sr2AlTlFe2O7,-6.7748750662,-2.0784081983,0.3480216193,0.3480216193,GGA+U,P4/mmm,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Fe-O-Sr-Tl,13.0,AB2C7D2E_tP13_123_b_h_ahi_g_c:Al-Fe-O-Sr-Tl +mp-1219881,Rb2TiFe2(MoO4)6,-8.1362254877,-2.1193388502,0.0072905608,0.0072905608,GGA+U,P-1,A2B6C24D2E_aP35_2_cd_3i_12i_i_b:Fe-Mo-O-Rb-Ti,35.0,"Invalid WP multiplicities - A2B6C24D2E_aP35_2_cd_6i_24i_i_b:Fe-Mo-O-Rb-Ti, expected Rb2TiFe2(MoO4)12 to be Rb2TiFe2(MoO4)6" +mp-1219542,RbTi3FeO8,-8.5843054692,-2.991186929,0.0291931208,0.0291931208,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Fe-O-Rb-Ti,13.0,AB8CD3_mC26_8_a_8a_a_3a:Fe-O-Rb-Ti +mp-1097301,Ti2FeMo,-5.2856903725,3.4909734658,3.7504721761,3.7504721761,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mo-Ti,4.0,ABC2_oI8_71_a_b_e:Fe-Mo-Ti +mp-22975,Rb2TeCl6,-3.4810890778,-1.6815786335,0.0,-0.0727522096,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Rb-Te,9.0,A6B2C_cF36_225_e_c_a:Cl-Rb-Te +mp-723393,Te(NCl3)2,-2.9671688456,0.4669995659,1.0781048726,1.0781048726,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Te,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Te +mp-677467,Rb5Te3H4NCl18,-3.7032595297,-1.4608838191,0.0,-0.0040505178,GGA,P3m1,A18B4CD5E3_hP31_156_6d_ad_a_a2b2c_abc:Cl-H-N-Rb-Te,31.0,"Invalid WP multiplicities - A18B4CD5E3_hP31_156_17d_a2d_a_a2b2c_abc:Cl-H-N-Rb-Te, expected Rb5Te3H7NCl51 to be Rb5Te3H4NCl18" +mp-677002,SrZr12B2I5Cl23,-5.943370128,-2.0479315353,0.0,-0.0416975728,GGA,Pc,A2B23C5DE12_mP86_7_2a_23a_5a_a_12a:B-Cl-I-Sr-Zr,86.0,A2B23C5DE12_mP86_7_2a_23a_5a_a_12a:B-Cl-I-Sr-Zr +mp-1208666,SrICl,-4.0888149367,-2.4183494489,0.0269217771,0.0269217771,GGA,Pnma,ABC_oP12_62_c_c_c:Cl-I-Sr,12.0,ABC_oP12_62_c_c_c:Cl-I-Sr +mp-1190355,LiAlSi2O7,-7.4234125109,-2.7750528986000003,0.1607144725,0.1607144725,GGA,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Al-Li-O-Si,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Al-Li-O-Si +mp-1191091,LiAlSi2O7,-7.2878525282,-2.6394929159,0.2962744553,0.2962744553,GGA,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Al-Li-O-Si,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Al-Li-O-Si +mp-1202325,LiAl(Si2O5)2,-8.0444698966,-3.243053776,0.001500755,0.000140659,GGA,Pc,ABC10D4_mP32_7_a_a_10a_4a:Al-Li-O-Si,32.0,ABC10D4_mP32_7_a_a_10a_4a:Al-Li-O-Si +mp-6442,LiAl(Si2O5)2,-8.0459706516,-3.244554531,0.0,-0.001360096,GGA,P2/c,ABC10D4_mP32_13_e_e_bf4g_2g:Al-Li-O-Si,32.0,"Invalid WP multiplicities - ABC10D4_mP32_13_e_e_bf9g_2g:Al-Li-O-Si, expected LiAl(SiO5)4 to be LiAl(Si2O5)2" +mp-1020023,Li3AlSiO5,-6.938458658,-2.9753480564,0.0,-0.0118217653,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Al-Li-O-Si,40.0,AB3C5D_oP40_33_a_3a_5a_a:Al-Li-O-Si +mp-1196415,Li2Al2(SiO4)3,-7.2310493947,-2.6549853938,0.2279310437,0.2279310437,GGA,Fdd2,A2B2C12D3_oF152_43_b_b_6b_ab:Al-Li-O-Si,38.0,A2B2C12D3_oF152_43_b_b_6b_ab:Al-Li-O-Si +mp-1198062,LiAlSiO5,-7.015657655,-2.5390001196,0.271246284,0.271246284,GGA,Pna2_1,ABC5D_oP32_33_a_a_5a_a:Al-Li-O-Si,32.0,ABC5D_oP32_33_a_a_5a_a:Al-Li-O-Si +mp-1222886,Li2Al2Si4O13,-7.5892001857,-2.955046721,0.1203520348,0.1203520348,GGA,P1,A2B2C13D4_aP21_1_2a_2a_13a_4a:Al-Li-O-Si,21.0,A2B2C13D4_aP21_1_2a_2a_13a_4a:Al-Li-O-Si +mp-30134,Li8Al3Si5,-3.3606758806,-0.0085070948,0.2060790742,0.2060790742,GGA,P-43m,A3B8C5_cP16_215_c_bde_ae:Al-Li-Si,16.0,"Invalid WP multiplicities - A3B8C5_cP16_215_c_b2d2e_a2e:Al-Li-Si, expected Li5AlSi3 to be Li8Al3Si5" +mp-3161,LiAlSi,-3.88454041,-0.1912681678,0.0,-0.069794322,GGA,F-43m,ABC_cF12_216_a_b_c:Al-Li-Si,3.0,ABC_cF12_216_a_b_c:Al-Li-Si +mp-14378,Li12Al3Si4,-3.0713742774,-0.1321598558,0.0907233272,0.0907233272,GGA,I-43d,A3B12C4_cI76_220_a_e_c:Al-Li-Si,38.0,A3B12C4_cI76_220_a_e_c:Al-Li-Si +mp-1222571,LiAlSi3O8,-7.9434254977,-3.212351461,0.026217973,0.026217973,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Li-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-Li-O-Si +mp-1344789,LiAlSi3O8,-3.3491995331,1.3818745036,4.6204439376,4.6204439376,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Li-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-Li-O-Si +mp-1222486,Li5Al(SiO4)2,-6.9078835762,-2.9257375817,0.0151791034,0.0151791034,GGA,C2,AB5C8D2_mC32_5_a_a2bc_4c_c:Al-Li-O-Si,16.0,"Invalid WP multiplicities - AB5C8D2_mC32_5_a_a2bc_6c_c:Al-Li-O-Si, expected Li5Al(SiO6)2 to be Li5Al(SiO4)2" +mp-1210755,Li2AlSi,-3.372460165,-0.1252752667,0.0819214118,0.0819214118,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Al-Li-Si,8.0,AB2C_hP8_194_b_f_c:Al-Li-Si +mp-1222720,Li2Al2SiO6,-7.3619945318,-3.1424992872,0.0222770263,0.0222770263,GGA,C222,A2B2C6D_oC22_21_k_i_el_c:Al-Li-O-Si,11.0,"Invalid WP multiplicities - A2B2C6D_oC22_21_k_i_2e2l_c:Al-Li-O-Si, expected Li2Al2SiO12 to be Li2Al2SiO6" +mp-558808,LiAl(SiO3)2,-7.823940839,-3.2054141366,0.0235791423,0.0235791423,GGA,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Al-Li-O-Si,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Al-Li-O-Si +mp-542874,LiAl(SiO3)2,-7.8108411593,-3.1923144568,0.036678822,0.036678822,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Al-Li-O-Si,40.0,ABC6D2_mP40_14_e_e_6e_2e:Al-Li-O-Si +mp-6340,LiAl(SiO3)2,-7.813877793,-3.1953510906,0.0336421883,0.0336421883,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Al-Li-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Al-Li-O-Si +mp-1222469,LiAl(SiO3)2,-7.846857136,-3.2283304336,0.0006628453,0.0006628453,GGA,C222,ABC6D2_oC20_21_a_b_fl_k:Al-Li-O-Si,10.0,"Invalid WP multiplicities - ABC6D2_oC20_21_a_b_2f2l_k:Al-Li-O-Si, expected LiAl(SiO6)2 to be LiAl(SiO3)2" +mp-1222553,LiAlSiO4,-7.5906583448,-3.1811481202,0.0300608705,0.007448658,GGA,P2,ABC4D_mP21_3_a2b_3c_6e_a2d:Al-Li-O-Si,21.0,"Invalid WP multiplicities - ABC4D_mP21_3_a2d_3c_12e_a2b:Al-Li-O-Si, expected LiAlSiO8 to be LiAlSiO4" +mp-556544,LiAlSiO4,-7.5983414025,-3.188831178,0.0223778127,-0.0002343997,GGA,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Al-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_3a_3a_16a_4a:Al-Li-O-Si, expected Li3Al3(SiO4)4 to be LiAlSiO4" +mp-559689,LiAlSiO4,-7.5935915325,-3.184081308,0.0271276827,0.0045154703,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Al-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_12a_a:Al-Li-O-Si, expected LiAlSiO12 to be LiAlSiO4" +mp-18220,LiAlSiO4,-7.6207192152,-3.2112089907,0.0,-0.0226122125,GGA,R3,ABC4D_hR126_146_2b_2b_8b_2b:Al-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_4b_2b_14b_2b:Al-Li-O-Si, expected LiAl2SiO7 to be LiAlSiO4" +mp-14399,LiAlSiO4,-7.6140321085,-3.2045218839,0.0066871068,-0.0159251057,GGA,P6_222,ABC4D_hP84_180_gi_adf_4k_hj:Al-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_hP84_180_2gi_adf_4k_h2j:Al-Li-O-Si, expected Li2Al3Si3O8 to be LiAlSiO4" +mp-558713,LiAlSiO4,-7.6012108757,-3.1917006512,0.0195083395,-0.003103873,GGA,P6_222,ABC4D_hP21_180_c_a_k_d:Al-Li-O-Si,21.0,ABC4D_hP21_180_c_a_k_d:Al-Li-O-Si +mp-1222444,LiAlSiO4,-7.613046669,-3.2035364445,0.0076725462,-0.0149396663,GGA,P6_222,ABC4D_hP21_180_d_a_k_c:Al-Li-O-Si,21.0,ABC4D_hP21_180_d_a_k_c:Al-Li-O-Si +mp-6326,LiAlSiO4,-7.6145192275,-3.205009003,0.0061999877,-0.0164122247,GGA,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Al-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_gi_adf_8k_hj:Al-Li-O-Si, expected LiAlSiO8 to be LiAlSiO4" +mp-6327,LiAlSiO4,-7.6130183538,-3.2035081293,0.0077008614,-0.0149113511,GGA,P6_422,ABC4D_hP21_181_d_a_k_c:Al-Li-O-Si,21.0,ABC4D_hP21_181_d_a_k_c:Al-Li-O-Si +mp-1226662,CsNaEuNb5O15,-8.9752514215,-3.0108259722,0.0009850826,0.0009850826,GGA,Pmc2_1,ABCD5E15_oP46_26_a_a_b_b2c_2a3b5c:Cs-Eu-Na-Nb-O,46.0,ABCD5E15_oP46_26_a_a_b_b2c_2a3b5c:Cs-Eu-Na-Nb-O +mp-1223070,LaNb2CuBrO7,-8.2375798129,-2.7861070493,0.0481377512,0.0481377512,GGA,C2,ABCD2E7_mC48_5_c_2a_c_2c_2b6c:Br-Cu-La-Nb-O,24.0,"Invalid WP multiplicities - ABCD2E7_mC48_5_c_2a_c_4c_2b8c:Br-Cu-La-Nb-O, expected LaNb4CuBrO9 to be LaNb2CuBrO7" +mp-1201335,LaNb2CuBrO7,-8.2455233062,-2.7940505426,0.0401942578,0.0401942578,GGA,Pbam,ABCD2E7_oP48_55_g_g_h_i_efh2i:Br-Cu-La-Nb-O,48.0,ABCD2E7_oP48_55_g_g_h_i_efh2i:Br-Cu-La-Nb-O +mp-624909,LaNb2CuBrO7,-8.232132575,-2.7806598114,0.0535849891,0.0535849891,GGA,P4/mmm,ABCD2E7_tP12_123_c_a_d_g_bgi:Br-Cu-La-Nb-O,12.0,"Invalid WP multiplicities - ABCD2E7_tP12_123_c_a_d_g_b2g2i:Br-Cu-La-Nb-O, expected LaNb2CuBrO13 to be LaNb2CuBrO7" +mp-1227765,BaSrErCu3O7,-6.4508873323,-2.2123774714,0.0368625133,0.0368625133,GGA,Pmm2,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Er-O-Sr,13.0,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Er-O-Sr +mp-562836,SmCoSe2ClO6,-6.5174788714,-1.9404428884,0.0021439354,0.0021439354,GGA+U,P-1,ABC6D2E_aP44_2_2i_2i_12i_4i_2i:Cl-Co-O-Se-Sm,44.0,"Invalid WP multiplicities - ABC6D2E_aP44_2_4i_2i_24i_8i_3i:Cl-Co-O-Se-Sm, expected Sm3Co2Se8(ClO6)4 to be SmCoSe2ClO6" +mp-698723,Ca6Nd6ScMn11O36,-8.2525824968,-2.8219505835,0.0089685298,0.0089685298,GGA+U,P1,A6B11C6D36E_aP60_1_6a_11a_6a_36a_a:Ca-Mn-Nd-O-Sc,60.0,A6B11C6D36E_aP60_1_6a_11a_6a_36a_a:Ca-Mn-Nd-O-Sc +mp-1078367,InNi2SbO6,-6.493737969,-1.6816289093,0.0,-0.007994399,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:In-Ni-O-Sb,10.0,AB2C6D_hR30_146_a_2a_2b_a:In-Ni-O-Sb +mp-19929,MgInNi2,-4.17441792,-0.196358635,0.0,-0.0090084043,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Mg-Ni,4.0,ABC2_cF16_225_a_b_c:In-Mg-Ni +mp-2227326,MgInNi2SbO6,-6.1330026782,-1.6128780739000002,0.2550415822,0.2550415822,GGA+U,P1,ABC2D6E_aP11_1_a_a_2a_6a_a:In-Mg-Ni-O-Sb,11.0,ABC2D6E_aP11_1_a_a_2a_6a_a:In-Mg-Ni-O-Sb +mp-2222766,MgInNi2SbO6,-6.1644209364,-1.644296332,0.223623324,0.223623324,GGA+U,R3,ABC2D6E_hR33_146_a_a_2a_2b_a:In-Mg-Ni-O-Sb,11.0,ABC2D6E_hR33_146_a_a_2a_2b_a:In-Mg-Ni-O-Sb +mp-569791,Pr3MnBi5,-5.3149950472,-0.5697530242000001,0.0814532341,0.0814532341,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Bi-Mn-Pr,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_3d3g_b_g:Bi-Mn-Pr, expected Pr3MnBi15 to be Pr3MnBi5" +mp-558830,ZnTeMoO6,-6.75811269,-1.7660202588,0.0131052003,0.0131052003,GGA+U,P2_12_12,AB6CD_oP18_18_a_3c_a_b:Mo-O-Te-Zn,18.0,"Invalid WP multiplicities - AB6CD_oP18_18_a_8c_a_b:Mo-O-Te-Zn, expected ZnTeMoO16 to be ZnTeMoO6" +mp-1192126,Zn2TeMoO7,-6.4488031314,-1.8001427494,0.0,-0.009573838,GGA+U,P2_1,AB7CD2_mP22_4_a_7a_a_2a:Mo-O-Te-Zn,22.0,AB7CD2_mP22_4_a_7a_a_2a:Mo-O-Te-Zn +mp-2230459,MgZn2Te2(MoO6)2,-6.6487319821,-1.835155992,0.1093236065,0.1093236065,GGA+U,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Mo-O-Te-Zn,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Mo-O-Te-Zn +mp-2230577,MgZn2Te2(MoO6)2,-6.6481057516,-1.8345297615,0.109949837,0.109949837,GGA+U,P2,AB2C12D2E2_mP19_3_a_bc_6e_bc_ad:Mg-Mo-O-Te-Zn,19.0,"Invalid WP multiplicities - AB2C12D2E2_mP19_3_c_ab_10e_ab_cd:Mg-Mo-O-Te-Zn, expected MgZn2Te2(MoO10)2 to be MgZn2Te2(MoO6)2" +mp-1523111,BaMnInWO6,-7.840563355,-2.193469709,0.1906249601,0.1906249601,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Mn-O-W +mp-1228476,Ba3In2WO9,-7.1935553227,-2.6109805952,0.0,-0.0196314987,GGA+U,Immm,A3B2C9D_oI60_71_fn_abg_e3ln_h:Ba-In-O-W,30.0,"Invalid WP multiplicities - A3B2C9D_oI60_71_2f3n_ab2g_2e10l4n_h:Ba-In-O-W, expected Ba8In3WO30 to be Ba3In2WO9" +mp-1228197,Ba3In2WO9,-7.1850909007,-2.6025161733,0.008464422,-0.0111670767,GGA+U,P-3m1,A3B2C9D_hP15_164_ad_d_ei_b:Ba-In-O-W,15.0,"Invalid WP multiplicities - A3B2C9D_hP15_164_ad_d_2e3i_b:Ba-In-O-W, expected Ba3In2WO24 to be Ba3In2WO9" +mp-19085,Ba2MnWO6,-8.311566699,-2.747743932,0.0,-0.0553493787,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-W,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-W +mp-632623,MnIn2W,-6.20292942,0.7029488255,0.7029488255,0.7029488255,GGA,F-43m,A2BC_cF16_216_ac_b_d:In-Mn-W,4.0,A2BC_cF16_216_ac_b_d:In-Mn-W +mp-531213,Ca13Y6F43,-6.622734706,-4.2507150169,0.025323481,0.025323481,GGA,R3,A13B43C6_hR186_146_a4b_a14b_2b:Ca-F-Y,62.0,"Invalid WP multiplicities - A13B43C6_hR186_146_a10b_a42b_6b:Ca-F-Y, expected Ca31Y18F127 to be Ca13Y6F43" +mp-1096716,CaYCd2,-1.056667555,1.5227950733,1.8777161375,1.8777161375,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Cd-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Cd-Y +mp-1183556,CaYCd2,-2.9334450800000003,-0.3539824517,0.0009386125,0.0009386125,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Cd-Y,4.0,AB2C_cF16_225_a_c_b:Ca-Cd-Y +mp-1221079,NaCaYCdF8,-5.8267248192,-3.6592816703,0.0008555592,0.0008555592,GGA,I-4m2,ABC8DE_tI24_119_a_b_j_c_d:Ca-Cd-F-Na-Y,12.0,ABC8DE_tI24_119_a_b_j_c_d:Ca-Cd-F-Na-Y +mp-1522722,CaHfTiSnO6,-8.501507096,-3.1467085911,0.1639821565,0.1639821565,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sn-Ti +mp-1047952,BaCaVF7,-6.4364458378,-3.7975624715,0.0191248498,0.0191248498,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-V,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-V, expected BaCaVF23 to be BaCaVF7" +mp-1203415,Ba2CaV2CoF14,-6.436993338,-3.542974076,0.0,-0.0128770152,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Co-F-V,40.0,A2BCD14E2_mC80_15_f_e_c_7f_f:Ba-Ca-Co-F-V +mp-2217286,Ba2MgMnMoO6,-7.3896364618,-2.3781794073,0.237279641,0.237279641,GGA+U,Cm,A2BCDE6_mC22_8_2a_a_a_a_2a2b:Ba-Mg-Mn-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_mC22_8_2a_a_a_a_2a3b:Ba-Mg-Mn-Mo-O, expected Ba2MgMnMoO8 to be Ba2MgMnMoO6" +mp-2226724,Ba2MgMnMoO6,-7.3945918082,-2.3831347537,0.2323242946,0.2323242946,GGA+U,Immm,A2BCDE6_oI22_71_f_c_a_b_el:Ba-Mg-Mn-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_c_a_b_e2l:Ba-Mg-Mn-Mo-O, expected Ba2MgMnMoO10 to be Ba2MgMnMoO6" +mp-1212099,K2LaTa6(Br5O)3,-6.2134541776,-1.9009000345,0.0049928594,0.0049928594,GGA,P-31c,A15B2CD3E6_hP54_163_h2i_f_c_h_i:Br-K-La-O-Ta,54.0,A15B2CD3E6_hP54_163_h2i_f_c_h_i:Br-K-La-O-Ta +mp-1223498,KLaTa2O7,-9.24109244,-3.3875667772,0.0381711516,0.0381711516,GGA,Amm2,ABC7D2_oC22_38_a_a_2a5b_2b:K-La-O-Ta,11.0,ABC7D2_oC22_38_a_a_2a5b_2b:K-La-O-Ta +mp-1212029,K2LaBr5,-4.1769990394,-2.3117557082,0.0,-0.0334466238,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Br-K-La,32.0,A5B2C_oP32_62_3cd_d_c:Br-K-La +mp-1204933,K2LaTa5O15,-9.4853035807,-3.3702590668,0.0,-0.0311094475,GGA,P4/mbm,A2BC15D5_tP46_127_g_a_dhi2j_cj:K-La-O-Ta,46.0,A2BC15D5_tP46_127_g_a_dhi2j_cj:K-La-O-Ta +mp-1517811,KLaCeNiO6,-7.235572635,-2.4915962195,0.1826472955,0.1826472955,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Ce-K-La-Ni-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Ce-K-La-Ni-O +mp-1522011,KLa(NiO3)4,-5.7453019417,-0.8271232024,0.4316976883,0.4316976883,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:K-La-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:K-La-Ni-O, expected KLa(Ni2O9)2 to be KLa(NiO3)4" +mp-1012686,Na3V2(GeO4)3,-6.9789867834,-2.2107499774,0.0562565079,0.0562565079,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Na-O-V,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Na-O-V +mp-1078802,LaVGe3,-6.150116698,-0.5723173500000001,0.0,-0.034690943,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ge-La-V,10.0,A3BC_hP10_194_h_c_a:Ge-La-V +mp-558512,Na3LaV2O8,-7.4482205604,-2.6878702164,0.0061207725,0.0061207725,GGA+U,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:La-Na-O-V,112.0,"Invalid WP multiplicities - AB3C8D2_oP112_29_5a_23a_62a_12a:La-Na-O-V, expected Na23La5V12O62 to be Na3LaV2O8" +mp-558048,NaV(GeO3)2,-7.1978378385,-2.2645759044,0.0,-0.0149177489,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Na-O-V,40.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Na-O-V +mp-1522693,NaLaV4O12,-8.1765007306,-2.5123662187,0.1249204,0.1249204,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:La-Na-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:La-Na-O-V, expected NaLaV4O18 to be NaLaV4O12" +mp-1233239,Cs2CaTm2(WO4)4,-8.3415617364,-2.5924571056,0.1419236604,0.1419236604,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Ca-Cs-O-Tm-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Ca-Cs-O-Tm-W +mp-1213209,CsTm(WO4)2,-8.5540973417,-2.6490133462000003,0.00703068,-0.006512002,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Tm-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Cs-O-Tm-W +mp-1213213,CsTm(WO4)2,-8.5611280217,-2.6560440262,0.0,-0.013542682,GGA+U,P-3m1,AB8CD2_hP12_164_a_di_b_d:Cs-O-Tm-W,12.0,AB8CD2_hP12_164_a_di_b_d:Cs-O-Tm-W +mp-1520588,Eu2ZrWO6,-10.161241835,-2.9912451623000003,0.1111358474,0.1111358474,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Zr +mp-1519275,CaEuZrWO6,-9.302998115,-2.9581416342,0.1983519087,0.1983519087,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-W-Zr +mp-1205634,CaEu2WO6,-9.43571022,-2.9199236223,0.0471217382,0.0471217382,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ca-Eu-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Ca-Eu-O-W +mp-1096016,Ca2InPb,-1.38689542,1.23198722,1.7280940450000002,1.7280940450000002,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-In-Pb,4.0,A2BC_oI8_71_e_a_b:Ca-In-Pb +mp-1183460,Ca2InPb,-3.10981008,-0.49092744,0.005179385,0.005179385,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Pb,4.0,A2BC_cF16_225_c_a_b:Ca-In-Pb +mp-1079772,Ca(InP)2,-4.249122044,-0.5820075733,0.0,-0.05412819,GGA,P6_3/mmc,AB2C2_hP10_194_a_f_f:Ca-In-P,10.0,AB2C2_hP10_194_a_f_f:Ca-In-P +mp-728740,CaIn2(PO4)3,-7.2190053253,-2.6018309144,0.0296740762,0.0296740762,GGA,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Ca-In-O-P,72.0,AB2C12D3_mP72_14_e_2e_12e_3e:Ca-In-O-P +mp-1204811,InP2PbO8,-7.0430928377,-2.3043890458,0.0499490281,0.0499490281,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:In-O-P-Pb,48.0,AB8C2D_mP48_14_e_8e_2e_e:In-O-P-Pb +mp-555661,Ca9In(PO4)7,-7.611145349,-3.2288679243,0.0,-0.0158103631,GGA,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-In-O-P,90.0,"Invalid WP multiplicities - A9BC28D7_hR270_161_11b_a_2a45b_a7b:Ca-In-O-P, expected Ca33InP22O137 to be Ca9In(PO4)7" +mp-614572,Ca3InP3,-4.52739963,-0.95477236,0.0,-0.0200771379,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Ca-In-P,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_7c_c_9c:Ca-In-P, expected Ca7InP9 to be Ca3InP3" +mp-1224124,In4P6Pb2O23,-7.1615828103,-2.45627754,0.0063196831,0.0063196831,GGA,P1,A4B23C6D2_aP35_1_4a_23a_6a_2a:In-O-P-Pb,35.0,A4B23C6D2_aP35_1_4a_23a_6a_2a:In-O-P-Pb +mp-631312,InP2Pb,-3.7426358175,0.5800981358,0.6841030300000001,0.6841030300000001,GGA,F-43m,AB2C_cF16_216_a_bc_d:In-P-Pb,4.0,AB2C_cF16_216_a_bc_d:In-P-Pb +mp-1229316,Ca33In4P28Pb3O112,-7.5645061392,-3.153777928,0.0022294346,0.0022294346,GGA,P1,A33B4C112D28E3_aP180_1_33a_4a_112a_28a_3a:Ca-In-O-P-Pb,180.0,A33B4C112D28E3_aP180_1_33a_4a_112a_28a_3a:Ca-In-O-P-Pb +mp-1203117,InP3Pb2O11,-7.2053635569,-2.4506305443,0.0,-0.0125825304,GGA,P2_1/c,AB11C3D2_mP68_14_e_11e_3e_2e:In-O-P-Pb,68.0,AB11C3D2_mP68_14_e_11e_3e_2e:In-O-P-Pb +mp-1022596,Mg6ZnW,-2.7160507288,0.2613935388,0.3081949608,0.3081949608,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-W-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-W-Zn, expected Mg12ZnW to be Mg6ZnW" +mp-1022615,Mg6ZnW,-2.7107646225,0.266679645,0.313481067,0.313481067,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-W-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-W-Zn, expected Mg12ZnW to be Mg6ZnW" +mp-1291005,Mg2FeWO6,-7.8410146005,-2.4101302198,0.038035646,0.038035646,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Fe-Mg-O-W +mp-1047202,Mg2FeWO6,-7.873737691,-2.4428533103,0.0053125555,0.0053125555,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mg-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Fe-Mg-O-W +mp-1043064,Zn3Fe4(WO4)6,-8.2127903454,-1.8849896395,0.1202561413,0.1202561413,GGA+U,P-1,A4B24C6D3_aP37_2_2i_12i_3i_ai:Fe-O-W-Zn,37.0,"Invalid WP multiplicities - A4B24C6D3_aP37_2_2i_13i_5i_ai:Fe-O-W-Zn, expected Zn3Fe4(W5O13)2 to be Zn3Fe4(WO4)6" +mp-2219948,MgFe2(WO4)2,-8.3952922908,-1.9314390123,0.1878330419,0.1878330419,GGA+U,P2,A2BC8D2_mP13_3_ac_a_4e_bd:Fe-Mg-O-W,13.0,A2BC8D2_mP13_3_ac_a_4e_bd:Fe-Mg-O-W +mp-2219064,MgFe2(WO4)2,-8.3913227769,-1.9274694985,0.1918025558,0.1918025558,GGA+U,P2,A2BC8D2_mP13_3_cd_a_4e_ab:Fe-Mg-O-W,13.0,A2BC8D2_mP13_3_bc_a_4e_ad:Fe-Mg-O-W +mp-2217753,MgZn2FeWO6,-6.9348691955,-1.9141372884,0.1381725323,0.1381725323,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Fe-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Fe-Mg-O-W-Zn +mp-559965,Sr5As3ClO12,-6.7428598950000005,-2.7603063866,0.0,-0.0444761186,GGA,P6_3/m,A3BC12D5_hP42_176_h_b_2hi_fh:As-Cl-O-Sr,42.0,"Invalid WP multiplicities - A3BC12D5_hP42_176_h_b_12h8i_3f3h:As-Cl-O-Sr, expected Sr15As3ClO84 to be Sr5As3ClO12" +mp-1517277,BaEuHfZrO6,-9.709380935,-3.6732810683,0.0440460883,0.0440460883,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Hf-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Hf-O-Zr +mp-1520848,BaEuZr2O6,-9.4933689553,-3.5982179285,0.045336387,0.045336387,GGA,P4/mmm,ABC6D2_tP40_123_ade_bcf_jkst_r:Ba-Eu-O-Zr,40.0,"Invalid WP multiplicities - ABC6D2_tP40_123_ad2e_bc2f_jk6s6t_r:Ba-Eu-O-Zr, expected Ba3Eu3Zr4O52 to be BaEuZr2O6" +mp-1520734,BaEuZr2O6,-9.491652006,-3.5965009792,0.0470533363,0.0470533363,GGA,P4/mmm,ABC6D2_tP10_123_c_d_abi_g:Ba-Eu-O-Zr,10.0,ABC6D2_tP10_123_c_d_abi_g:Ba-Eu-O-Zr +mp-1520816,BaEuZr2O6,-9.4890555733,-3.5939045465,0.049649769,0.049649769,GGA,P4_2/mmc,ABC6D2_tP40_131_ac_bd_opq_n:Ba-Eu-O-Zr,40.0,"Invalid WP multiplicities - ABC6D2_tP40_131_ac_2b2d_5o5pq_n:Ba-Eu-O-Zr, expected BaEu2Zr2O22 to be BaEuZr2O6" +mp-1520926,BaEuZr4O12,-9.0053900561,-3.1316654008,0.231451717,0.231451717,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ba-Eu-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ba-Eu-O-Zr, expected BaEuZr4O18 to be BaEuZr4O12" +mp-1346599,Ca2TaCuO6,-7.735171807,-2.7703401743,0.0948090798,0.0948090798,GGA,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Cu-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Ca-Cu-O-Ta, expected Ca3TaCuO18 to be Ca2TaCuO6" +mp-1041633,CaTa2CuO7,-8.7197455848,-2.8609107859,0.1607961374,0.1607961374,GGA,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Ca-Cu-O-Ta,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Ca-Cu-O-Ta, expected Ca4Ta9Cu4O39 to be CaTa2CuO7" +mp-1041087,CaTa2(CuO4)2,-8.1934263294,-2.540112624,0.1618595556,0.1618595556,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-Ta,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-Ta, expected CaTa5(Cu3O13)2 to be CaTa2(CuO4)2" +mp-1337257,Ca2Ta2CuO8,-8.4637621542,-2.971495125,0.1232177871,0.1232177871,GGA,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Ca-Cu-O-Ta,26.0,"Invalid WP multiplicities - A2BC8D2_aP26_2_4i_i_16i_4i:Ca-Cu-O-Ta, expected Ca4Ta4CuO16 to be Ca2Ta2CuO8" +mp-1182216,Ca2Ta3CuBrO10,-8.5895993553,-3.018796134,0.0754540901,0.0754540901,GGA,P4/mmm,AB2CD10E3_tP17_123_c_h_a_e2gi_bg:Br-Ca-Cu-O-Ta,17.0,AB2CD10E3_tP17_123_c_h_a_e2gi_bg:Br-Ca-Cu-O-Ta +mp-551826,NbTlBr4O,-5.0610816671,-1.6864030646,0.0,-0.0098473357,GGA,C2,A4BCD_mC14_5_2c_a_a_b:Br-Nb-O-Tl,7.0,"Invalid WP multiplicities - A4BCD_mC14_5_4c_a_a_b:Br-Nb-O-Tl, expected NbTlBr8O to be NbTlBr4O" +mp-2241034,MgNbTlO3,-6.3976044517,-1.5802220566,0.9245220749,0.9245220749,GGA,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Nb-O-Tl,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Nb-O-Tl +mp-2226749,MgNbTlBr4O,-4.6575982938,-1.5047195103000002,0.307968479,0.307968479,GGA,Cm,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl,8.0,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl +mp-2227768,MgNbTlBr4O,-4.7852133225,-1.632334539,0.1803534502,0.1803534502,GGA,Cm,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl,8.0,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl +mp-2228292,MgNbTlBr4O,-4.675253385,-1.5223746015,0.2903133877,0.2903133877,GGA,Cm,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl,8.0,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl +mp-2242123,MgNbTlBr4O,-4.7076445087,-1.5547657253,0.257922264,0.257922264,GGA,Cm,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl,8.0,A4BCDE_mC16_8_4a_a_a_a_a:Br-Mg-Nb-O-Tl +mp-1517046,SrCaDySbO6,-7.209867874,-2.9987665059,0.079448811,0.079448811,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Dy-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Dy-O-Sb-Sr +mp-1516398,Ca2DySbO6,-7.179102192,-2.9363901813,0.15494377,0.15494377,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Dy-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Dy-O-Sb +mp-1227760,Ca2Dy3Sb3O14,-7.4974929393,-2.9760290322,0.0156171747,0.0156171747,GGA,C2/c,A2B3C14D3_mC88_15_ce_ef_7f_abd:Ca-Dy-O-Sb,44.0,"Invalid WP multiplicities - A2B3C14D3_mC88_15_ae_2ef_17f_b2cd:Ca-Dy-O-Sb, expected CaDy2Sb2O17 to be Ca2Dy3Sb3O14" +mp-541429,BaEu2CoO5,-8.73870405,-2.7081773954,0.0,-0.0133677116,GGA+U,Immm,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Eu-O,9.0,ABC2D5_oI18_71_a_b_f_cm:Ba-Co-Eu-O +mp-1214711,Ba2EuCoCu2O7,-7.0092405269,-2.0839710043,0.0361571533,0.0361571533,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Eu-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Eu-O +mp-1518091,BaEu(CoO3)4,-6.5275545483,-0.9736927453,0.5799715062,0.5799715062,GGA+U,P4/mmm,AB4CD12_tP18_123_a_i_d_efr:Ba-Co-Eu-O,18.0,"Invalid WP multiplicities - AB4CD12_tP18_123_a_i_d_2e2fr:Ba-Co-Eu-O, expected BaEu(CoO4)4 to be BaEu(CoO3)4" +mp-1518078,BaSrSmBiO6,-6.9701851692000005,-2.7854175767,0.0163811706,0.0163811706,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Sm-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Sm-Sr +mp-1518254,BaSrSmBiO6,-6.920270326,-2.7355027334,0.0662960139,0.0662960139,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Sm-Sr +mp-1519366,BaSrPrSbO6,-7.211240509,-2.9913897434,0.0,-0.0022281336,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Ba-O-Pr-Sb-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Ba-O-Pr-Sb-Sr, expected BaSrPrSbO12 to be BaSrPrSbO6" +mp-1519455,BaSrPrSbO6,-7.2052946188,-2.9854438532,0.0059458902,0.0037177566,GGA,P222,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Pr-Sb-Sr,40.0,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Pr-Sb-Sr +mp-1519458,BaSrPrSbO6,-7.174125291,-2.9542745254,0.037115218,0.0348870844,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Pr-Sb-Sr +mp-554606,Cu7As6(PbO12)2,-6.1029789608,-1.4159281831,0.0157896618,0.0157896618,GGA,P-1,A6B7C24D2_aP39_2_3i_bcd2i_12i_i:As-Cu-O-Pb,39.0,"Invalid WP multiplicities - A6B7C24D2_aP39_2_5i_bcd3i_21i_i:As-Cu-O-Pb, expected Cu9As10(PbO21)2 to be Cu7As6(PbO12)2" +mp-1202558,Cu4As3PbO12,-6.0575735965,-1.3852189215,0.0175921007,0.0175921007,GGA,P-1,A3B4C12D_aP40_2_3i_bc3i_12i_i:As-Cu-O-Pb,40.0,A3B4C12D_aP40_2_3i_bc3i_12i_i:As-Cu-O-Pb +mp-1200529,CuAsPbO5,-6.0716046084,-1.4210526458,0.0426933397,0.0426933397,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Cu-O-Pb,32.0,ABC5D_oP32_19_a_a_5a_a:As-Cu-O-Pb +mp-1213944,CrCuAsPb2O9,-6.5871312861,-1.5616409228,0.3336060198,0.3336060198,GGA+U,P2_1/c,ABCD9E2_mP56_14_e_e_e_9e_2e:As-Cr-Cu-O-Pb,56.0,ABCD9E2_mP56_14_e_e_e_9e_2e:As-Cr-Cu-O-Pb +mp-1213371,Cu2As2PbO10,-5.896202376,-1.1831234205,0.1367369272,0.1367369272,GGA,C2/m,A2B2C10D_mC30_12_i_f_3ij_a:As-Cu-O-Pb,15.0,A2B2C10D_mC30_12_i_e_3ij_a:As-Cu-O-Pb +mp-557871,CuAsPbO4,-6.1127141686,-1.5044674557,0.0,-0.0021011937,GGA,P-1,ABC4D_aP14_2_i_i_4i_i:As-Cu-O-Pb,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_i_6i_i:As-Cu-O-Pb, expected CuAsPbO6 to be CuAsPbO4" +mp-21560,CuAs2PbO7,-6.2775285741,-1.5723547987000002,0.0199456986,0.0199456986,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Cu-O-Pb,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Cu-O-Pb +mp-18282,ScZnMo3O8,-8.3750277912,-2.2440529654,0.0783807639,0.0783807639,GGA+U,P6_3mc,A3B8CD_hP26_186_c_ab2c_b_b:Mo-O-Sc-Zn,26.0,"Invalid WP multiplicities - A3B8CD_hP26_186_c_ab3c_b_b:Mo-O-Sc-Zn, expected ScZnMo3O11 to be ScZnMo3O8" +mp-1221398,Na2Zn11(MoO4)12,-7.1989075026,-1.9373857251,0.0083111869,0.0083111869,GGA+U,P1,A12B2C48D11_aP73_1_12a_2a_48a_11a:Mo-Na-O-Zn,73.0,A12B2C48D11_aP73_1_12a_2a_48a_11a:Mo-Na-O-Zn +mp-1104572,NaZn2(MoO5)2,-6.5835529187,-1.5835395956,0.1969648152,0.1969648152,GGA+U,C2/m,A2BC10D2_mC30_12_i_a_3ij_f:Mo-Na-O-Zn,15.0,A2BC10D2_mC30_12_i_a_3ij_e:Mo-Na-O-Zn +mp-694985,Na2Sc4Zn2(MoO4)9,-8.1772936073,-2.4001981578,0.0019559417,0.0019559417,GGA+U,P1,A9B2C36D4E2_aP106_1_18a_4a_72a_8a_4a:Mo-Na-O-Sc-Zn,106.0,A9B2C36D4E2_aP106_1_18a_4a_72a_8a_4a:Mo-Na-O-Sc-Zn +mp-1210389,Na3Zn2(MoO4)3,-6.9031064793,-1.983892581,0.0632822125,0.0632822125,GGA+U,C2/c,A3B3C12D2_mC80_15_ef_a2e_6f_f:Mo-Na-O-Zn,40.0,A3B3C12D2_mC80_15_ef_a2e_6f_f:Mo-Na-O-Zn +mp-720110,KRe3Os3(Se4Cl3)2,-6.2917573448,-0.9972528413,0.0,-0.0550215206,GGA,P1,A6BC3D3E8_aP84_1_24a_4a_12a_12a_32a:Cl-K-Os-Re-Se,84.0,A6BC3D3E8_aP84_1_24a_4a_12a_12a_32a:Cl-K-Os-Re-Se +mp-541060,K2(ReSe2)3,-6.4304501302,-0.9277366471,0.0,-0.0988053726,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:K-Re-Se,44.0,A2B3C6_mC88_15_2ef_3f_6f:K-Re-Se +mp-23533,K2OsCl6,-4.2853672844,-1.5587689196,0.0,-0.0687902422,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Os,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Os +mp-572546,CsRe(Cl2O)2,-5.5605961788,-1.7321644763,0.0,-0.0430870375,GGA,P2_1/c,A4BC2D_mP32_14_4e_e_2e_e:Cl-Cs-O-Re,32.0,"Invalid WP multiplicities - A4BC2D_mP32_14_14e_e_4e_e:Cl-Cs-O-Re, expected CsRe(Cl7O2)2 to be CsRe(Cl2O)2" +mp-1188289,Cs3Re2Cl10O,-4.9072705362,-1.7193132364,0.0108580609,0.0108580609,GGA,I4/mmm,A10B3CD2_tI32_139_em_ad_b_e:Cl-Cs-O-Re,16.0,A10B3CD2_tI32_139_em_ad_b_e:Cl-Cs-O-Re +mp-1202505,Cs2Re(ClO)3,-5.9196894289,-2.0729107575,0.0,-0.0157508353,GGA,Pnma,A3B2C3D_oP36_62_cd_2c_cd_c:Cl-Cs-O-Re,36.0,A3B2C3D_oP36_62_cd_2c_cd_c:Cl-Cs-O-Re +mp-1197752,Cs3Re6Se8(Cl3O)2,-6.0343120262,-0.982101649,0.3436646453,0.3436646453,GGA,P2_1/c,A6B3C2D6E8_mP50_14_3e_ae_e_3e_4e:Cl-Cs-O-Re-Se,50.0,A6B3C2D6E8_mP50_14_3e_ae_e_3e_4e:Cl-Cs-O-Re-Se +mp-1221115,NaCr12Si8BrO28,-8.6270817282,-2.6146426998,0.0,-0.0235816838,GGA+U,I4mm,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Br-Cr-Na-O-Si,50.0,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Br-Cr-Na-O-Si +mp-557963,Cr4Si2Br2O7,-8.1645132325,-2.3514663273,0.0,-0.0275199501,GGA+U,Pc,A2B4C7D2_mP60_7_4a_8a_14a_4a:Br-Cr-O-Si,60.0,"Invalid WP multiplicities - A2B4C7D2_mP60_7_7a_13a_27a_5a:Br-Cr-O-Si, expected Cr13Si5Br7O27 to be Cr4Si2Br2O7" +mp-698854,Ba5SrNd2Fe4O15,-7.4820024106,-2.7078883911,0.0007827625,-0.0141037214,GGA+U,Cc,A5B4C2D15E_mC216_9_10a_8a_4a_30a_2a:Ba-Fe-Nd-O-Sr,108.0,"Invalid WP multiplicities - A5B4C2D15E_mC216_9_15a_12a_5a_53a_2a:Ba-Fe-Nd-O-Sr, expected Ba15Sr2Nd5Fe12O53 to be Ba5SrNd2Fe4O15" +mp-1228568,Ba5SrNd2Fe4O15,-7.4827851731,-2.7086711536,0.0,-0.0148864839,GGA+U,Cc,A5B4C2D15E_mC108_9_5a_4a_2a_15a_a:Ba-Fe-Nd-O-Sr,54.0,"Invalid WP multiplicities - A5B4C2D15E_mC108_9_8a_7a_4a_30a_a:Ba-Fe-Nd-O-Sr, expected Ba8SrNd4Fe7O30 to be Ba5SrNd2Fe4O15" +mp-1517104,BaSrNdFeO6,-7.247745696,-2.5950687657,0.0936063457,0.0936063457,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Fe-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Fe-Nd-O-Sr +mp-1520009,SrCaLaSbO6,-7.2855586635,-3.0415352689,0.0558701855,0.0382175472,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ca-La-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ca-La-O-Sb-Sr, expected SrCaLaSbO12 to be SrCaLaSbO6" +mp-1218509,SrCaLaSbO6,-7.341428849,-3.0974054544,0.0,-0.0176526383,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Ca-La-O-Sb-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Ca-La-O-Sb-Sr +mp-1519785,SrCaLaSbO6,-7.2186543095,-2.9746309149,0.1227745395,0.1051219012,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ca-La-O-Sb-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ca-La-O-Sb-Sr +mp-1520041,SrCaLaSbO6,-7.2109164395,-2.9668930449,0.1305124095,0.1128597712,GGA,Cccm,ABC6DE_oC40_66_a_e_k2l_f_b:Ca-La-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_oC40_66_a_e_k3l_f_b:Ca-La-O-Sb-Sr, expected SrCaLaSbO8 to be SrCaLaSbO6" +mp-1519795,SrCaLaSbO6,-7.119204433,-2.8751810384,0.222224416,0.2045717777,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-La-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-La-O-Sb-Sr +mp-1218515,SrCa3La2(SbO6)2,-7.356403742999999,-3.0965750271,0.0024557665,0.0024557665,GGA,P1,A3B2C12D2E_aP20_1_3a_2a_12a_2a_a:Ca-La-O-Sb-Sr,20.0,A3B2C12D2E_aP20_1_3a_2a_12a_2a_a:Ca-La-O-Sb-Sr +mp-782047,Ca9La5Cl33,-5.0592995772,-2.8522326788,0.0,-0.0216134837,GGA,P-1,A9B33C5_aP94_2_9i_33i_5i:Ca-Cl-La,94.0,"Invalid WP multiplicities - A9B33C5_aP94_2_17i_65i_9i:Ca-Cl-La, expected Ca17La9Cl65 to be Ca9La5Cl33" +mp-582828,La3Ge3Cl2,-5.6190564794,-1.5722842044,0.0,-0.07655428,GGA,C2/m,A2B3C3_mC32_12_2i_3i_3i:Cl-Ge-La,16.0,"Invalid WP multiplicities - A2B3C3_mC32_12_3i_5i_6i:Cl-Ge-La, expected La6Ge5Cl3 to be La3Ge3Cl2" +mp-540773,Ca2GeS4,-5.2799121461,-1.68276542,0.0,-0.0268063869,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Ca-Ge-S,28.0,A2BC4_oP28_62_ac_c_2cd:Ca-Ge-S +mp-1227756,Ca2LaGeS4Cl3,-5.3594968095,-2.117529158,0.0117296892,0.0117296892,GGA,Cmc2_1,A2B3CDE4_oC44_36_b_ab_a_a_2ab:Ca-Cl-Ge-La-S,22.0,"Invalid WP multiplicities - A2B3CDE4_oC44_36_b_2a2b_a_a_3a2b:Ca-Cl-Ge-La-S, expected Ca2LaGeS7Cl6 to be Ca2LaGeS4Cl3" +mp-35421,Ca(LaS2)2,-6.5150471450000005,-2.4545594939,0.0128247364,0.0128247364,GGA,I-42d,AB2C4_tI28_122_a_d_e:Ca-La-S,14.0,AB2C4_tI28_122_a_d_e:Ca-La-S +mp-1227082,CaLa(CoO3)2,-7.272739467,-2.1889019827,0.1375834403,0.1375834403,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ca-Co-La-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ca-Co-La-O +mp-1043894,CaLaFeCoO6,-7.6295712905,-2.4095634648,0.0409118988,0.0409118988,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Co-Fe-La-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Ca-Co-Fe-La-O, expected CaLaFeCoO10 to be CaLaFeCoO6" +mp-1272441,CaLa2CoO6,-7.784863104,-2.9182566888,0.042827321,0.042827321,GGA+U,P-1,ABC2D6_aP40_2_2i_bdi_4i_12i:Ca-Co-La-O,40.0,"Invalid WP multiplicities - ABC2D6_aP40_2_4i_2a2i_8i_24i:Ca-Co-La-O, expected Ca4La8(CoO8)3 to be CaLa2CoO6" +mp-1280871,CaLa2CoO6,-7.797424018,-2.9308176028,0.030266407,0.030266407,GGA+U,P-1,ABC2D6_aP40_2_2i_bei_4i_12i:Ca-Co-La-O,40.0,"Invalid WP multiplicities - ABC2D6_aP40_2_2i_ad2i_8i_24i:Ca-Co-La-O, expected Ca2La8(CoO8)3 to be CaLa2CoO6" +mp-1273081,CaLa2CoO6,-7.7996998265,-2.9330934113,0.0279905985,0.0279905985,GGA+U,R-3,ABC2D6_hR30_148_a_b_c_f:Ca-Co-La-O,20.0,ABC2D6_hR30_148_a_b_c_f:Ca-Co-La-O +mp-1227143,CaLa3(CoO4)2,-7.9741077964,-2.9309816196,0.0394771981,0.0394771981,GGA+U,Pm,AB2C3D8_mP14_6_a_ab_a2b_2a2b2c:Ca-Co-La-O,28.0,AB2C3D8_oC28_38_a_ab_a2b_2a2bf:Ca-Co-La-O +mp-1277566,CaLa3(CoO4)2,-7.9679933132,-2.9248671364,0.0455916813,0.0455916813,GGA+U,Amm2,AB2C3D8_oC28_38_a_ab_a2b_2a2bf:Ca-Co-La-O,28.0,AB2C3D8_oC28_38_a_ab_a2b_2a2bf:Ca-Co-La-O +mp-1210778,Li2Sm2Si3,-4.808639045,-0.589928746,0.0,-0.0548735059,GGA,Cmcm,A2B3C2_oC28_63_f_cf_2c:Li-Si-Sm,14.0,A2B3C2_oC28_63_f_cf_2c:Li-Si-Sm +mp-630511,Ca2FeClO3,-6.7798301043,-2.6127124237,0.0402590064,0.0402590064,GGA+U,P4/nmm,A2BCD3_tP14_129_2c_c_c_cf:Ca-Cl-Fe-O,14.0,"Invalid WP multiplicities - A2BCD3_tP14_129_3c_c_c_c2f:Ca-Cl-Fe-O, expected Ca3FeClO5 to be Ca2FeClO3" +mp-1204736,Ca2Fe6Se9Cl4O27,-6.0056966941,-1.2713368573,0.3010006847,0.3010006847,GGA+U,P6_3/m,A2B4C6D27E9_hP96_176_f_ch_gh_h4i_hi:Ca-Cl-Fe-O-Se,96.0,A2B4C6D27E9_hP96_176_f_ch_gh_h4i_hi:Ca-Cl-Fe-O-Se +mp-611630,CaFeClO2,-6.469979931,-2.0264728965,0.348054126,0.3471438539,GGA+U,P1,ABCD2_aP10_1_2a_2a_2a_4a:Ca-Cl-Fe-O,10.0,ABCD2_aP10_1_2a_2a_2a_4a:Ca-Cl-Fe-O +mp-549711,CaFeClO2,-6.818034057,-2.3745270225,0.0,-0.0009102721,GGA+U,C2/m,ABCD2_mC20_12_i_i_i_2i:Ca-Cl-Fe-O,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_i_i_3i:Ca-Cl-Fe-O, expected CaFeClO3 to be CaFeClO2" +mp-1182005,CaFeClO2,-6.412340707,-1.9688336725,0.40569335,0.4047830779,GGA+U,Cm,ABCD2_mC20_8_2a_2a_2a_4a:Ca-Cl-Fe-O,10.0,ABCD2_mC20_8_2a_2a_2a_4a:Ca-Cl-Fe-O +mp-1095492,Ca2FeClO8,-5.3328893925,-0.8409504492000001,0.8137554777,0.8137554777,GGA+U,P-1,A2BCD8_aP12_2_i_a_b_4i:Ca-Cl-Fe-O,12.0,"Invalid WP multiplicities - A2BCD8_aP12_2_i_a_b_7i:Ca-Cl-Fe-O, expected Ca2FeClO14 to be Ca2FeClO8" +mp-555981,Ca3Fe2Cl2O5,-6.7955129704,-2.5132330591,0.0303142352,0.0303142352,GGA+U,I4/mmm,A3B2C2D5_tI24_139_ae_e_e_bg:Ca-Cl-Fe-O,24.0,A3B2C2D5_tI24_139_ae_e_e_bg:Ca-Cl-Fe-O +mp-770744,Li4Nb2Fe3Sn3O16,-7.4285601657,-2.2705565899,0.0200829412,0.0200829412,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Nb-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Nb-O-Sn, expected Li4Nb2Fe3Sn3O20 to be Li4Nb2Fe3Sn3O16" +mp-753666,Li4Nb3Fe3(SnO8)2,-7.7033679582,-2.327802483,0.0725244461,0.0725244461,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Nb-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Nb-O-Sn, expected Li4Nb3Fe3(SnO10)2 to be Li4Nb3Fe3(SnO8)2" +mp-703275,NaSr3NdTi5O15,-8.4797978024,-3.4863200489,0.0142928208,0.0142928208,GGA,I-42m,ABC15D3E5_tI100_121_e_e_c2h5i_ab2e_d2h:Na-Nd-O-Sr-Ti,50.0,"Invalid WP multiplicities - ABC15D3E5_tI100_121_e_e_2c7h17i_ab4e_d6h:Na-Nd-O-Sr-Ti, expected NaSr5NdTi13O50 to be NaSr3NdTi5O15" +mp-532802,Na2SrNd2Ti5O15,-8.5393805301,-3.4374353438,0.0107778004,0.0107778004,GGA,Pm,A2B2C15DE5_mP100_6_ab3c_ab3c_2a2b28c_2c_10c:Na-Nd-O-Sr-Ti,100.0,"Invalid WP multiplicities - A2B2C15DE5_mP100_6_ab3c_ab5c_2a2b45c_2c_18c:Na-Nd-O-Sr-Ti, expected Na4Sr2Nd6Ti18O47 to be Na2SrNd2Ti5O15" +mp-695470,NaSr8NdTi10O30,-8.45654824,-3.5173042029,0.0095085296,0.0095085296,GGA,P-42_1m,ABC30D8E10_tP100_113_c_c_5d10e_8c_ab4d:Na-Nd-O-Sr-Ti,100.0,"Invalid WP multiplicities - ABC30D8E10_tP100_113_c_c_18d39e_16c_2a2b15d:Na-Nd-O-Sr-Ti, expected NaSr16NdTi34O114 to be NaSr8NdTi10O30" +mp-695175,Na3Sr14Nd3Ti20O60,-8.4708075996,-3.5044467043000003,0.0092660968,0.0092660968,GGA,Cmm2,A3B3C60D14E20_oC200_35_2ab_a2b_10c10d10e_7a7b_10c:Na-Nd-O-Sr-Ti,100.0,"Invalid WP multiplicities - A3B3C60D14E20_oC200_35_2ab_a2b_20c20d20e_7a7b_20c:Na-Nd-O-Sr-Ti, expected Na3Sr14Nd3Ti40O120 to be Na3Sr14Nd3Ti20O60" +mp-694961,Na9Sr2Nd9Ti20O60,-8.5641752573,-3.4351132128,0.0,-0.0022043165,GGA,Pm,A9B9C60D2E20_mP100_6_a2b3c_a4c_2a2b28c_c_10c:Na-Nd-O-Sr-Ti,100.0,"Invalid WP multiplicities - A9B9C60D2E20_mP100_6_a2b3c_a5c_2a2b46c_c_16c:Na-Nd-O-Sr-Ti, expected Na9Sr2Nd11Ti32O96 to be Na9Sr2Nd9Ti20O60" +mp-695514,NaSr2NdTi4O12,-8.4923026877,-3.471708076,0.0158048624,0.0158048624,GGA,P-42m,ABC12D2E4_tP60_111_ah_dg_ef2m6n_bcgh_3m:Na-Nd-O-Sr-Ti,60.0,"Invalid WP multiplicities - ABC12D2E4_tP60_111_a2h_d2g_2e2f8m20n_bc2g2h_7m:Na-Nd-O-Sr-Ti, expected Na5Sr10Nd5Ti28O120 to be NaSr2NdTi4O12" +mp-1220894,NaSr2NdTi4O12,-8.491656876,-3.4710622643,0.0164506741,0.0164506741,GGA,P-42m,ABC12D2E4_tP20_111_a_d_ef2n_bc_m:Na-Nd-O-Sr-Ti,20.0,"Invalid WP multiplicities - ABC12D2E4_tP20_111_a_d_2e2f7n_bc_m:Na-Nd-O-Sr-Ti, expected NaSr2NdTi4O36 to be NaSr2NdTi4O12" +mp-686697,Na3Sr4Nd3Ti10O30,-8.5080992748,-3.4603878049,0.0140252021,0.0140252021,GGA,P1,A3B3C30D4E10_aP50_1_3a_3a_30a_4a_10a:Na-Nd-O-Sr-Ti,50.0,"Invalid WP multiplicities - A3B3C30D4E10_mC100_8_3a_3a_10a20b_4a_8b:Na-Nd-O-Sr-Ti, expected Na3Sr4Nd3Ti16O50 to be Na3Sr4Nd3Ti10O30" +mp-1173858,Na7Sr6Nd7Ti20O60,-8.4821091292,-3.4072808011,0.0540322745,0.0540322745,GGA,Cm,A7B7C60D6E20_mC200_8_7a_7a_20a20b_6a_20a:Na-Nd-O-Sr-Ti,100.0,"Invalid WP multiplicities - A7B7C60D6E20_mC200_8_7a_7a_20a40b_6a_20a:Na-Nd-O-Sr-Ti, expected Na7Sr6Nd7Ti20O100 to be Na7Sr6Nd7Ti20O60" +mp-1044174,Si2Sn13(SbO14)2,-6.5446095564,-1.8837127438,0.2433206794,0.2433206794,GGA,P-1,A28B2C2D13_aP45_2_14i_i_i_a6i:O-Sb-Si-Sn,45.0,"Invalid WP multiplicities - A28B2C2D13_aP45_2_26i_i_i_a12i:O-Sb-Si-Sn, expected Si2Sn25(SbO26)2 to be Si2Sn13(SbO14)2" +mp-1163929,Al2Si3(SnO4)3,-7.4039832546,-2.6461789621,0.1735823088,0.1735823088,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Sn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Sn +mp-1044109,Al4Si2Sn13(SbO14)2,-6.7007000608,-2.1145233284,0.1664688289,0.1664688289,GGA,C2/m,A4B28C2D2E13_mC98_12_j_2i6j_g_i_a2g2j:Al-O-Sb-Si-Sn,49.0,"Invalid WP multiplicities - A4B28C2D2E13_mC98_12_j_4i21j_g_i_a4g7j:Al-O-Sb-Si-Sn, expected Al4Si2Sn37(SbO46)2 to be Al4Si2Sn13(SbO14)2" +mp-1251151,Ca2AlSnO5,-6.9386461333,-2.8831137999000003,0.1461557366,0.1461557366,GGA,P1,AB2C5D_aP18_1_2a_4a_10a_2a:Al-Ca-O-Sn,18.0,AB2C5D_aP18_1_2a_4a_10a_2a:Al-Ca-O-Sn +mp-1196891,Ca2Al2Sn2O9,-7.2255753395,-2.9561291041,0.0,-0.0161991977,GGA,Pbcn,A2B2C9D2_oP60_60_d_d_c4d_d:Al-Ca-O-Sn,60.0,A2B2C9D2_oP60_60_d_d_c4d_d:Al-Ca-O-Sn +mp-1147766,Ca(AlSn)2,-3.71446683,-0.21128778,0.0810722125,0.0810722125,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ca-Sn,5.0,A2BC2_hP5_164_d_a_d:Al-Ca-Sn +mp-1228955,Cs4Na2ScGaF12,-5.244155436,-3.3179067954,0.0,-0.0035380688,GGA,R-3m,A4B12CD2E_hR60_166_2c_2h_a_c_b:Cs-F-Ga-Na-Sc,20.0,A4B12CD2E_hR60_166_2c_2h_a_c_b:Cs-F-Ga-Na-Sc +mp-6204,Cs2NaScF6,-5.658092836,-3.5666255412,0.0,-0.0313195157,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Na-Sc +mp-6163,Cs2NaGaF6,-4.8231418985,-3.062111912,0.0,-0.0365143713,GGA,R-3m,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Ga-Na,20.0,A2B6CD_hR60_166_2c_2h_ab_c:Cs-F-Ga-Na +mp-1112570,Cs2NaGaF6,-4.814579936,-3.0535499495,0.0085619625,-0.0279524088,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Na,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-Na +mp-1516991,PrEuHfCrO6,-9.764244808,-3.3314171757,0.0945749558,0.0945749558,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Hf-O-Pr +mp-1196110,SrCuTe2O7,-6.0517712875,-1.8061228431,0.0140953683,0.0140953683,GGA,Pbcm,AB7CD2_oP44_57_d_c2d2e_d_2d:Cu-O-Sr-Te,44.0,AB7CD2_oP44_57_d_c2d2e_d_2d:Cu-O-Sr-Te +mp-555814,Sr2Cu2Te(BrO3)2,-5.5620908785,-1.9077143348,0.0235012421,0.0235012421,GGA,P2_1/c,A2B2C6D2E_mP26_14_e_e_3e_e_a:Br-Cu-O-Sr-Te,26.0,"Invalid WP multiplicities - A2B2C6D2E_mP26_14_e_e_11e_e_a:Br-Cu-O-Sr-Te, expected Sr2Cu2Te(BrO11)2 to be Sr2Cu2Te(BrO3)2" +mp-23133,Sr2Cu3(BrO2)2,-5.3138973691,-1.8075866035,0.0066061373,0.0066061373,GGA,I4/mmm,A2B3C4D2_tI22_139_d_ac_h_e:Br-Cu-O-Sr,11.0,"Invalid WP multiplicities - A2B3C4D2_tI22_139_d_a2c_h_e:Br-Cu-O-Sr, expected Sr2Cu5(BrO2)2 to be Sr2Cu3(BrO2)2" +mp-557970,SrCu(TeO3)2,-6.0059418382,-1.8303974204,0.0113712082,0.0113712082,GGA,P4_132,AB6CD2_cP120_213_d_3e_ac_e:Cu-O-Sr-Te,120.0,"Invalid WP multiplicities - AB6CD2_cP120_213_d_55e_2a3c_e:Cu-O-Sr-Te, expected Sr8Cu3(TeO55)6 to be SrCu(TeO3)2" +mp-6252,Sr2CuTeO6,-6.24324413,-2.2130809562,0.0331624074,0.0331624074,GGA,I4/m,AB6C2D_tI20_87_a_eh_d_b:Cu-O-Sr-Te,10.0,AB6C2D_tI20_87_a_eh_d_b:Cu-O-Sr-Te +mp-552537,Sr2CuBrO2,-5.5807167167,-2.4266168285,0.0,-0.0416531357,GGA,R-3m,ABC2D2_hR18_166_a_b_c_c:Br-Cu-O-Sr,6.0,ABC2D2_hR18_166_a_b_c_c:Br-Cu-O-Sr +mp-1046197,Sr2Cu2TeO7,-5.8338607671,-1.7215668405,0.3075411441,0.3075411441,GGA,Ima2,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Te,24.0,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Te +mp-1147703,Sr2CuTeO2,-5.4663403417,-2.0471941929,0.1002121065,0.1002121065,GGA,P4/mmm,AB2C2D_tP6_123_b_e_h_a:Cu-O-Sr-Te,6.0,AB2C2D_tP6_123_b_e_h_a:Cu-O-Sr-Te +mp-1147556,Sr2Cu(BrO)2,-4.83032827,-1.9049528901,0.4068179371,0.3905298416,GGA,P4/mmm,A2BC2D2_tP7_123_e_b_ac_f:Br-Cu-O-Sr,7.0,A2BC2D2_tP7_123_e_b_ac_f:Br-Cu-O-Sr +mp-546898,Sr2Cu(BrO)2,-5.2371462071,-2.3117708273,0.0,-0.0162880955,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Br-Cu-O-Sr,7.0,A2BC2D2_tI14_139_e_a_c_e:Br-Cu-O-Sr +mp-1517625,PrEuNbCrO6,-9.449644024,-3.0024047908,0.1668939659,0.1668939659,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Pr +mp-1147595,CuPb2(ClO)2,-4.9175944229,-1.3297442011,0.0604289225,0.0604289225,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-O-Pb,7.0,A2BC2D2_tI14_139_e_a_c_e:Cl-Cu-O-Pb +mp-1198524,Cu3TePbO7,-5.695818321,-1.214118825,0.0113220817,0.0113220817,GGA,Pnma,A3B7CD_oP48_62_cd_3c2d_c_c:Cu-O-Pb-Te,48.0,A3B7CD_oP48_62_cd_3c2d_c_c:Cu-O-Pb-Te +mp-1203135,CuTe2PbO7,-5.8453273698,-1.4157558693,0.0,-0.0140995912,GGA,Pbcm,AB7CD2_oP44_57_d_c2d2e_d_2d:Cu-O-Pb-Te,44.0,AB7CD2_oP44_57_d_c2d2e_d_2d:Cu-O-Pb-Te +mp-1195366,CuPb2Cl3O2,-4.4474084708,-1.0769724442,0.2880257377,0.2880257377,GGA,I4_1/acd,A3BC2D2_tI128_142_eg_f_g_g:Cl-Cu-O-Pb,64.0,A3BC2D2_tI128_142_eg_f_g_g:Cl-Cu-O-Pb +mp-1194267,Cu3TePbO8,-5.6201888308,-1.1027209336,0.0680952592,0.0680952592,GGA,Fdd2,A3B8CD_oF104_43_3a_4b_a_a:Cu-O-Pb-Te,26.0,A3B8CD_oF104_43_3a_4b_a_a:Cu-O-Pb-Te +mp-1079292,CuPb2(ClO2)2,-4.8821605578,-0.9923462272,0.2110918272,0.2110918272,GGA,P4mm,A2BC4D2_tP9_99_ab_a_d_c:Cl-Cu-O-Pb,9.0,A2BC4D2_tP9_99_ab_a_d_c:Cl-Cu-O-Pb +mp-1190173,CuPb3(ClO2)2,-5.1954870535,-1.323389449,0.0456944275,0.0456944275,GGA,P2_1/m,A2BC4D3_mP20_11_2e_a_2ef_3e:Cl-Cu-O-Pb,20.0,A2BC4D3_mP20_11_2e_a_2ef_3e:Cl-Cu-O-Pb +mp-1192807,Cu2Te2Pb(ClO3)2,-5.2857989315000005,-1.3185006404,0.0222574806,0.0222574806,GGA,P2_1,A2B2C6DE2_mP26_4_2a_2a_6a_a_2a:Cl-Cu-O-Pb-Te,26.0,A2B2C6DE2_mP26_4_2a_2a_6a_a_2a:Cl-Cu-O-Pb-Te +mp-1522128,SrCaTbNbO6,-8.133015724,-3.3219260499,0.1574815559,0.1574815559,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Tb +mp-1523008,EuZrCrBiO6,-8.875378042,-2.6775409122,0.1534621828,0.1534621828,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Cr-Eu-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Cr-Eu-O-Zr +mp-1517107,BaCaTbSbO6,-7.232274124,-2.9954666812,0.090595325,0.090595325,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Tb +mp-1521505,NaSrPrNbO6,-7.6671560332,-2.9097198523000003,0.1291231591,0.1291231591,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:Na-Nb-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_f_2c2d:Na-Nb-O-Pr-Sr, expected NaSr2PrNbO12 to be NaSrPrNbO6" +mp-1521567,NaSrPrNbO6,-7.598618836,-2.8411826551,0.1976603563,0.1976603563,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Pr-Sr +mp-12860,Na3Cu2SbO6,-5.4271517133,-1.5958914860000002,0.0561489654,0.0561489654,GGA,C2/m,A2B3C6D_mC24_12_g_ch_ij_b:Cu-Na-O-Sb,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_g_ch_i2j_a:Cu-Na-O-Sb, expected Na3Cu2SbO10 to be Na3Cu2SbO6" +mp-1227936,BaLaNdMn3O9,-8.3725434467,-2.797251863,0.0851366168,0.0851366168,GGA+U,P321,ABC3DE9_hP30_150_ab_d_c2d_d_ef2g:Ba-La-Mn-Nd-O,30.0,"Invalid WP multiplicities - ABC3DE9_hP30_150_ab_d_2c3d_d_3e3f7g:Ba-La-Mn-Nd-O, expected BaLaNdMn5O30 to be BaLaNdMn3O9" +mp-1222962,LaNd3Mn4O12,-8.7364089255,-2.9739701702,0.0435440044,0.0435440044,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:La-Mn-Nd-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:La-Mn-Nd-O, expected LaNd3Mn8O20 to be LaNd3Mn4O12" +mp-1222928,LaNdMn2O6,-8.7516852385,-2.9808534996,0.0899326613,0.0899326613,GGA+U,Pmc2_1,AB2CD6_oP20_26_a_c_b_ab2c:La-Mn-Nd-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_26_a_c_b_ab3c:La-Mn-Nd-O, expected LaNdMn2O8 to be LaNdMn2O6" +mp-1223156,La3NdMn4O12,-8.774459318,-2.9952345955,0.1230822389,0.1230822389,GGA+U,Pm,A3B4CD12_mP20_6_a2b_2c_a_2a2b4c:La-Mn-Nd-O,20.0,"Invalid WP multiplicities - A3B4CD12_mP20_6_a2b_4c_a_2a2b8c:La-Mn-Nd-O, expected La3NdMn8O20 to be La3NdMn4O12" +mp-556301,Li6CaCeO6,-6.1235077121,-2.6183392477,0.0235241957,0.0235241957,GGA,P-31c,ABC6D6_hP28_163_a_c_i_i:Ca-Ce-Li-O,28.0,ABC6D6_hP28_163_a_c_i_i:Ca-Ce-Li-O +mp-774886,Li4Nb3Cu3(TeO8)2,-6.9319833125,-2.0865955352,0.0940408411,0.0940408411,GGA,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Nb-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Nb-O-Te, expected Li4Nb3Cu3(TeO10)2 to be Li4Nb3Cu3(TeO8)2" +mp-1209217,SrLa4Mn3(CuO9)2,-7.3246888957,-2.1047468281,0.4053316575,0.4053316575,GGA+U,Pmna,A2B4C3D18E_oP56_53_g_i_ag_g2h3i_c:Cu-La-Mn-O-Sr,56.0,A2B4C3D18E_oP56_53_g_i_ag_g2h3i_c:Cu-La-Mn-O-Sr +mp-1218246,SrLa3MnCuO8,-7.9438313918,-2.991528076,0.1346462387,0.1346462387,GGA+U,Amm2,AB3CD8E_oC28_38_b_a2b_a_2a2bf_a:Cu-La-Mn-O-Sr,28.0,AB3CD8E_oC28_38_b_a2b_a_2a2bf_a:Cu-La-Mn-O-Sr +mp-738741,Sr2La6Mn7CuO24,-8.3196097947,-2.8208879867,0.1603529567,0.1603529567,GGA+U,P1,AB6C7D24E2_aP40_1_a_6a_7a_24a_2a:Cu-La-Mn-O-Sr,40.0,AB6C7D24E2_aP40_1_a_6a_7a_24a_2a:Cu-La-Mn-O-Sr +mp-938380,Sr4La4Mn7CuO24,-6.7770764685,-1.4406803431,1.3557501755,1.3557501755,GGA+U,P-1,AB4C7D24E4_aP40_2_b_2i_d3i_12i_2i:Cu-La-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB4C7D24E4_aP40_2_b_3i_d5i_24i_4i:Cu-La-Mn-O-Sr, expected Sr8La6Mn11CuO48 to be Sr4La4Mn7CuO24" +mp-698710,Sr4La4Mn7CuO24,-8.019435753,-2.6830396276,0.113390891,0.113390891,GGA+U,P-1,AB4C7D24E4_aP40_2_b_2i_d3i_12i_2i:Cu-La-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB4C7D24E4_aP40_2_b_3i_d5i_24i_4i:Cu-La-Mn-O-Sr, expected Sr8La6Mn11CuO48 to be Sr4La4Mn7CuO24" +mp-1379366,Sr4La4Mn7CuO24,-7.527935664,-2.1915395386,0.60489098,0.60489098,GGA+U,P-1,AB4C7D24E4_aP40_2_b_2i_c3i_12i_2i:Cu-La-Mn-O-Sr,40.0,"Invalid WP multiplicities - AB4C7D24E4_aP40_2_b_3i_c5i_24i_4i:Cu-La-Mn-O-Sr, expected Sr8La6Mn11CuO48 to be Sr4La4Mn7CuO24" +mp-698797,Sr3La9Mn10(CuO18)2,-8.2471187733,-2.7905870372,0.1673000441,0.1673000441,GGA+U,C2,A2B9C10D36E3_mC120_5_c_a4c_5c_ab17c_bc:Cu-La-Mn-O-Sr,60.0,"Invalid WP multiplicities - A2B9C10D36E3_mC120_5_c_a7c_8c_ab32c_b2c:Cu-La-Mn-O-Sr, expected Sr5La15Mn16(CuO33)2 to be Sr3La9Mn10(CuO18)2" +mp-1173270,Sr2La2MnCuO8,-7.5820019604,-2.8615924769000003,0.0758159476,0.0758159476,GGA+U,C2/m,AB2CD8E2_mC56_12_i_2i_i_ac7i_2i:Cu-La-Mn-O-Sr,28.0,"Invalid WP multiplicities - AB2CD8E2_mC56_12_i_4i_i_ac13i_3i:Cu-La-Mn-O-Sr, expected Sr3La4MnCuO14 to be Sr2La2MnCuO8" +mp-1218754,Sr2La2MnCuO8,-7.552772695,-2.8323632115,0.1050452129,0.1050452129,GGA+U,P4/mmm,AB2CD8E2_tP14_123_a_h_d_efgh_g:Cu-La-Mn-O-Sr,28.0,AB2CD8E2_tP14_123_a_h_d_efgh_g:Cu-La-Mn-O-Sr +mp-1173225,Sr6La14Mn17(CuO20)3,-8.2151637018,-2.7742210734,0.1576573594,0.1576573594,GGA+U,P1,A3B14C17D60E6_aP100_1_3a_14a_17a_60a_6a:Cu-La-Mn-O-Sr,100.0,A3B14C17D60E6_aP100_1_3a_14a_17a_60a_6a:Cu-La-Mn-O-Sr +mp-698602,Sr5La5Mn9CuO30,-8.0611271142,-2.6994169456,0.114143152,0.114143152,GGA+U,P1,AB5C9D30E5_aP50_1_a_5a_9a_30a_5a:Cu-La-Mn-O-Sr,50.0,AB5C9D30E5_aP50_1_a_5a_9a_30a_5a:Cu-La-Mn-O-Sr +mp-1210585,Mg(ZnSb)2,-2.673380256,-0.197826306,0.0170535457,0.0170535457,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Mg-Sb-Zn,5.0,AB2C2_hP5_164_a_d_d:Mg-Sb-Zn +mp-2217606,La2MgZnSbO6,-6.8134740245,-2.5824584448,0.3519231617,0.3519231617,GGA,P1,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Sb-Zn,11.0,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Sb-Zn +mp-2217314,La2MgZnSbO6,-6.8668234345,-2.6358078548,0.2985737517,0.2985737517,GGA,P1,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Sb-Zn,11.0,A2BC6DE_aP11_1_2a_a_6a_a_a:La-Mg-O-Sb-Zn +mp-2217998,La2MgZnSbO6,-6.8133356718,-2.582320092,0.3520615144,0.3520615144,GGA,R3,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Sb-Zn,11.0,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-Sb-Zn +mp-1022540,Mg6ZnSb,-1.9433490231,-0.0695458794,0.1117455827,0.1117455827,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Zn, expected Mg12ZnSb to be Mg6ZnSb" +mp-1022642,Mg6ZnSb,-1.9468859119,-0.0730827681,0.1082086939,0.1082086939,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Zn, expected Mg12ZnSb to be Mg6ZnSb" +mp-2230901,MgZn2(SbO3)4,-6.0817853042,-1.8714675797,0.1440158563,0.1440158563,GGA,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Sb-Zn,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Sb-Zn +mp-2230363,MgZn2(SbO3)4,-6.0665138168,-1.8561960924,0.1592873437,0.1592873437,GGA,P2,AB12C4D2_mP19_3_a_6e_2b2c_bc:Mg-O-Sb-Zn,19.0,"Invalid WP multiplicities - AB12C4D2_mP19_3_c_9e_2a2b_ab:Mg-O-Sb-Zn, expected MgZn2(Sb2O9)2 to be MgZn2(SbO3)4" +mp-2231839,MgZn2(SbO3)4,-6.0664093984,-1.8560916739,0.1593917621,0.1593917621,GGA,Cm,AB12C4D2_mC38_8_a_6a3b_4a_2a:Mg-O-Sb-Zn,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_8_a_6a4b_4a_2a:Mg-O-Sb-Zn, expected MgZn2(Sb2O7)2 to be MgZn2(SbO3)4" +mp-2230983,MgZn2(SbO3)4,-5.9776740921,-1.7673563676,0.2481270684,0.2481270684,GGA,P-4,AB12C4D2_tP19_81_a_3h_2g_g:Mg-O-Sb-Zn,19.0,"Invalid WP multiplicities - AB12C4D2_tP19_81_a_6h_3g_g:Mg-O-Sb-Zn, expected MgZn2(SbO4)6 to be MgZn2(SbO3)4" +mp-1222152,Mg2ZnSb2,-2.860881866,-0.317220628,0.013341957,0.013341957,GGA,P3m1,A2B2C_hP5_156_ac_ab_b:Mg-Sb-Zn,5.0,A2B2C_hP5_156_ac_ab_b:Mg-Sb-Zn +mp-1027913,Mg14ZnSb,-1.7687372269,-0.03169563,0.0721810929,0.0721810929,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Zn, expected Mg18ZnSb to be Mg14ZnSb" +mp-1027899,Mg14ZnSb,-1.7818176975000002,-0.0447761006,0.0591006223,0.0591006223,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Zn, expected Mg26ZnSb to be Mg14ZnSb" +mp-1225164,FeCuBi2(AsO6)2,-6.3805063878,-1.4400226386,0.0964809677,0.0964809677,GGA+U,P-1,A2B2CDE12_aP18_2_i_i_a_c_6i:As-Bi-Cu-Fe-O,36.0,"Invalid WP multiplicities - A2B2CDE12_aP18_2_i_i_a_c_11i:As-Bi-Cu-Fe-O, expected FeCuBi2(AsO11)2 to be FeCuBi2(AsO6)2" +mp-1204931,FeCu2As3O11,-6.1269201838,-1.1234280904,0.3518652237,0.3518652237,GGA+U,Pnma,A3B2CD11_oP68_62_cd_d_a_3c4d:As-Cu-Fe-O,68.0,A3B2CD11_oP68_62_cd_d_a_3c4d:As-Cu-Fe-O +mp-1181853,Fe2Cu(AsO7)2,-5.9940859129,-0.751394973,0.4195337404,0.4195337404,GGA+U,P2_1/c,A2BC2D14_mP38_14_e_a_e_7e:As-Cu-Fe-O,38.0,A2BC2D14_mP38_14_e_a_e_7e:As-Cu-Fe-O +mp-1225133,Fe3CuAs2,-6.4182664533,0.0529847317,0.188457575,0.188457575,GGA,P-4m2,A2BC3_tP6_115_g_a_bg:As-Cu-Fe,6.0,A2BC3_tP6_115_g_a_bg:As-Cu-Fe +mp-1022732,FeBiAsO,-5.8890025887,-0.4099232247,0.4059748487,0.4059748487,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Bi-Fe-O,8.0,ABCD_tP8_129_c_c_a_b:As-Bi-Fe-O +mp-1521829,BaCaTbFeO6,-7.288378821,-2.6174693813000003,0.1355324263,0.1355324263,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Tb +mp-1517846,BaEuFeBiO6,-7.640186107,-2.2235241722,0.1217818399,0.1217818399,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Fe-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Fe-O +mp-695057,Sr8Nd2Fe5(MoO6)5,-7.9468765373,-2.5862513287,0.0119399776,0.0119399776,GGA+U,P2_1/c,A5B5C2D30E8_mP100_14_a2e_d2e_e_15e_4e:Fe-Mo-Nd-O-Sr,100.0,"Invalid WP multiplicities - A5B5C2D30E8_mP100_14_2a8e_2d6e_e_60e_15e:Fe-Mo-Nd-O-Sr, expected Sr15NdFe9Mo7O60 to be Sr8Nd2Fe5(MoO6)5" +mp-698711,Sr9NdFe5(MoO6)5,-7.8540758554,-2.5550237264,0.0110402418,0.0110402418,GGA+U,P1,A5B5CD30E9_aP50_1_5a_5a_a_30a_9a:Fe-Mo-Nd-O-Sr,50.0,A5B5CD30E9_aP50_1_5a_5a_a_30a_9a:Fe-Mo-Nd-O-Sr +mp-1521356,CaSmMnSnO6,-7.640856778,-2.683266235,0.1603011172,0.1603011172,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ca-Mn-O-Sm-Sn,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ca-Mn-O-Sm-Sn, expected CaSmMnSnO12 to be CaSmMnSnO6" +mp-1521401,CaSmMnSnO6,-7.217133179,-2.259542636,0.5840247163,0.5840247163,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Mn-O-Sm-Sn,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Mn-O-Sm-Sn +mp-1516667,CaSmMnSnO6,-7.530608183,-2.57301764,0.2705497123,0.2705497123,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sm-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sm-Sn +mp-1519907,CaSmMnSnO6,-7.184776116,-2.227185573,0.6163817793,0.6163817793,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Ca-Mn-O-Sm-Sn,10.0,ABC6DE_cF40_216_a_b_f_c_d:Ca-Mn-O-Sm-Sn +mp-1220946,NaAl3(SiO4)3,-7.5755634626,-2.9336965464,0.1961864917,0.1961864917,GGA,Cc,A3BC12D3_mC76_9_3a_a_12a_3a:Al-Na-O-Si,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_9_4a_a_18a_4a:Al-Na-O-Si, expected NaAl4(Si2O9)2 to be NaAl3(SiO4)3" +mp-1020661,NaAl(SiO3)2,-7.7382092406,-3.1783222955,0.0138456554,0.0138456554,GGA,C2/c,ABC6D2_mC160_15_2f_2f_12f_4f:Al-Na-O-Si,80.0,ABC6D2_mC160_15_2f_2f_12f_4f:Al-Na-O-Si +mp-6124,NaAl(SiO3)2,-7.7210635385,-3.1611765934,0.0309913576,0.0309913576,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Al-Na-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Al-Na-O-Si +mp-1020141,Na2Al2Si3O10,-7.5945820879,-3.1311089439,0.0440221089,0.0440221089,GGA,C2,A2B2C10D3_mC68_5_2c_2c_10c_ab2c:Al-Na-O-Si,34.0,A2B2C10D3_mC68_5_2c_2c_10c_ab2c:Al-Na-O-Si +mp-1221477,Na2Al2Si3O10,-7.583990255,-3.1205171109,0.0546139419,0.0546139419,GGA,Fdd2,A2B2C10D3_oF136_43_b_b_5b_ab:Al-Na-O-Si,34.0,A2B2C10D3_oF136_43_b_b_5b_ab:Al-Na-O-Si +mp-542090,Na4Al3(SiO4)3,-7.1896315157,-3.0004020935,0.0236181838,0.0236181838,GGA,P-43n,A3B4C12D3_cP44_218_c_e_i_d:Al-Na-O-Si,44.0,A3B4C12D3_cP44_218_c_e_i_d:Al-Na-O-Si +mp-1220943,NaAlSiO4,-7.4623718639,-3.1366327213,0.0141599055,-0.0279434101,GGA,P1,ABC4D_aP56_1_8a_8a_32a_8a:Al-Na-O-Si,56.0,ABC4D_aP56_1_8a_8a_32a_8a:Al-Na-O-Si +mp-697618,NaAlSiO4,-3.2241784455,1.1015606971,4.2523533239,4.2102500083,GGA,P2_1,ABC4D_mP56_4_4a_4a_16a_4a:Al-Na-O-Si,56.0,"Invalid WP multiplicities - ABC4D_mP56_4_7a_6a_29a_6a:Al-Na-O-Si, expected Na6Al7Si6O29 to be NaAlSiO4" +mp-1220851,NaAlSiO4,-7.2812662082,-2.9555270656,0.1952655612,0.1531622456,GGA,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Al-Na-O-Si,28.0,ABC4D_oP28_26_2a_ab_4a4b_2b:Al-Na-O-Si +mp-560334,NaAlSiO4,-7.4765317695,-3.1507926268,0.0,-0.0421033156,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Al-Na-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_7a_6a_30a_5a:Al-Na-O-Si, expected Na6Al7(SiO6)5 to be NaAlSiO4" +mp-1220868,NaAlSiO4,-7.4503521881,-3.1246130455,0.0261795814,-0.0159237343,GGA,R3c,ABC4D_hR126_161_b_b_4b_b:Al-Na-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_161_b_b_19b_b:Al-Na-O-Si, expected NaAlSiO19 to be NaAlSiO4" +mp-667374,NaAlSiO4,-7.4691873395,-3.1434481969,0.0073444299,-0.0347588857,GGA,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Al-Na-O-Si,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_20a_18a_94a_18a:Al-Na-O-Si, expected Na9Al10Si9O47 to be NaAlSiO4" +mp-649722,NaAlSiO4,-6.6517563684,-2.3260172258000003,0.8247754011,0.7826720854,GGA,P6_3,ABC4D_hP56_173_bc_ac_b5c_bc:Al-Na-O-Si,56.0,ABC4D_hP56_173_bc_ac_b5c_bc:Al-Na-O-Si +mp-1198056,NaAlSiO4,-7.4620279532,-3.1362888106,0.0145038162,-0.0275994994,GGA,P6_3,ABC4D_hP56_173_bc_ac_b5c_bc:Al-Na-O-Si,56.0,ABC4D_hP56_173_bc_ac_b5c_bc:Al-Na-O-Si +mp-8351,NaAlSiO4,-7.4648366007,-3.1390974581,0.0116951687,-0.0304081469,GGA,P2_13,ABC4D_cP28_198_a_a_ab_a:Al-Na-O-Si,28.0,ABC4D_cP28_198_a_a_ab_a:Al-Na-O-Si +mp-1221765,Na3Al3Si3O14,-7.0791090991,-2.6993743418,0.1774363174,0.1774363174,GGA,Pna2_1,A3B3C14D3_oP92_33_3a_3a_14a_3a:Al-Na-O-Si,92.0,A3B3C14D3_oP92_33_3a_3a_14a_3a:Al-Na-O-Si +mp-684833,Na8Al6Si6O25,-7.226902478399999,-3.0208406276,0.0506138768,0.0506138768,GGA,R3,A6B8C25D6_hR135_146_2b_2a2b_a8b_2b:Al-Na-O-Si,45.0,"Invalid WP multiplicities - A6B8C25D6_hR135_146_4b_2a3b_a24b_4b:Al-Na-O-Si, expected Na11Al12Si12O73 to be Na8Al6Si6O25" +mp-1173749,Na8Al6Si6O25,-7.232940886,-3.0268790351,0.0445754692,0.0445754692,GGA,R3,A6B8C25D6_hR135_146_2b_2a2b_a8b_2b:Al-Na-O-Si,45.0,"Invalid WP multiplicities - A6B8C25D6_hR135_146_4b_2a3b_a24b_4b:Al-Na-O-Si, expected Na11Al12Si12O73 to be Na8Al6Si6O25" +mp-1196701,Na2Al2Si3O14,-6.7901067695,-2.234592565,0.3357516206,0.3357516206,GGA,Fdd2,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si,42.0,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si +mp-1202442,Na2Al2Si3O14,-6.8413844652,-2.2858702607,0.2844739249,0.2844739249,GGA,Fdd2,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si,42.0,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si +mp-1204609,Na2Al2Si3O14,-6.8625429274,-2.3070287229,0.2633154627,0.2633154627,GGA,Fdd2,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si,42.0,A2B2C14D3_oF168_43_b_b_7b_ab:Al-Na-O-Si +mp-556356,Na2SrAl4(SiO4)4,-7.7480302698,-3.2974695713,0.0,-0.0055487721,GGA,Iba2,A4B2C16D4E_oI108_45_2c_c_8c_2c_a:Al-Na-O-Si-Sr,54.0,"Invalid WP multiplicities - A4B2C16D4E_oI108_45_5c_c_25c_2c_a:Al-Na-O-Si-Sr, expected Na2SrAl10(Si2O25)2 to be Na2SrAl4(SiO4)4" +mp-1221304,Na3Al3Si3O16,-6.8594551592,-2.4343640856,0.212301721,0.212301721,GGA,R3c,A3B3C16D3_hR150_161_b_b_a5b_b:Al-Na-O-Si,50.0,"Invalid WP multiplicities - A3B3C16D3_hR150_161_b_b_2a21b_b:Al-Na-O-Si, expected Na3Al3Si3O65 to be Na3Al3Si3O16" +mp-1006613,Na2Al2(SiO4)3,-7.1168461613,-2.6025082207,0.2383985108,0.2383985108,GGA,P1,A2B2C12D3_aP38_1_4a_4a_24a_6a:Al-Na-O-Si,38.0,A2B2C12D3_oF152_43_b_b_6b_ab:Al-Na-O-Si +mp-1196695,Na2Al2(SiO4)3,-7.1376356516,-2.623297711,0.2176090205,0.2176090205,GGA,Fdd2,A2B2C12D3_oF152_43_b_b_6b_ab:Al-Na-O-Si,38.0,A2B2C12D3_oF152_43_b_b_6b_ab:Al-Na-O-Si +mp-1220919,NaAl3Si3O11,-7.8604182339,-3.2354858618,0.0382186435,0.0382186435,GGA,Cc,A3BC11D3_mC72_9_3a_a_11a_3a:Al-Na-O-Si,36.0,"Invalid WP multiplicities - A3BC11D3_mC72_9_4a_a_16a_4a:Al-Na-O-Si, expected NaAl4(SiO4)4 to be NaAl3Si3O11" +mp-734814,NaAlSi3O8,-3.6949060392,0.9910604918,4.2055074635,4.1959636397,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si +mp-721988,NaAlSi3O8,-7.9004135027,-3.2144469717,0.0,-0.0095438237,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si +mp-1220859,NaAlSi3O8,-7.8941166877,-3.2081501567,0.006296815,-0.0032470087,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_14i_5i:Al-Na-O-Si, expected NaAlSi5O14 to be NaAlSi3O8" +mp-1426051,NaAlSi3O8,-0.6773544431,4.008612088,7.2230590596,7.2135152359,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-Na-O-Si +mp-1220855,NaAlSi3O8,-7.8967252762,-3.2107587451,0.0036882265,-0.0058555972,GGA,Pc,ABC8D3_mP26_7_a_a_8a_3a:Al-Na-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_mP26_7_a_a_14a_6a:Al-Na-O-Si, expected NaAl(Si3O7)2 to be NaAlSi3O8" +mp-1210055,NaAlSiO5,-6.7843667462,-2.3810089075,0.3759346409,0.3759346409,GGA,F-43m,ABC5D_cF32_216_a_c_be_d:Al-Na-O-Si,8.0,ABC5D_cF32_216_a_c_be_d:Al-Na-O-Si +mp-1220849,NaLaTa2O9,-8.2355451446,-2.5052154477,0.3900433306,0.3900433306,GGA,Imm2,ABC9D2_oI26_44_a_a_3a6b_2a:La-Na-O-Ta,13.0,ABC9D2_oI26_44_a_a_3a6b_2a:La-Na-O-Ta +mp-1221053,NaLa2TaTi2O12,-8.2486151094,-2.7928614593,0.3727015396,0.3727015396,GGA,P1,A2BC12DE2_aP18_1_2a_a_12a_a_2a:La-Na-O-Ta-Ti,18.0,A2BC12DE2_aP18_1_2a_a_12a_a_2a:La-Na-O-Ta-Ti +mp-13019,NaLa2TaO6,-8.781593827,-3.5083488869,0.0,-0.018928899,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Na-O-Ta,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Na-O-Ta +mp-1220854,NaLa2TaTi2O10,-9.033176785,-3.5137900175,0.0474683563,0.0474683563,GGA,P1,A2BC10DE2_aP16_1_2a_a_10a_a_2a:La-Na-O-Ta-Ti,16.0,A2BC10DE2_aP16_1_2a_a_10a_a_2a:La-Na-O-Ta-Ti +mp-1220741,NaLaTa2O7,-9.2459444482,-3.3731345721,0.0485348932,0.0485348932,GGA,I-4m2,ABC7D2_tI22_119_a_c_be2f_e:La-Na-O-Ta,11.0,"Invalid WP multiplicities - ABC7D2_tI22_119_a_c_be3f_e:La-Na-O-Ta, expected NaLaTa2O9 to be NaLaTa2O7" +mp-866178,Li2NdAl,-3.2709015150000003,-0.188009266,0.0082927583,0.0082927583,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Li-Nd,4.0,AB2C_cF16_225_a_c_b:Al-Li-Nd +mp-866017,LiNd2Al,-3.989897145,-0.1921987546,0.0041032698,0.0041032698,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Li-Nd,4.0,ABC2_cF16_225_a_b_c:Al-Li-Nd +mp-1208690,SrLaAlCuO5,-7.3227235269,-2.9667539031,0.0335417792,0.0335417792,GGA,Pbcm,ABCD5E_oP36_57_d_d_d_a2c2d_d:Al-Cu-La-O-Sr,36.0,ABCD5E_oP36_57_d_d_d_a2c2d_d:Al-Cu-La-O-Sr +mp-1075974,Ba3Sr5Ti7MnO24,-8.3223311438,-3.3884466296,0.0158215679,0.0158215679,GGA+U,Cm,A3BC24D5E7_mC80_8_ab_a_4a10b_3ab_3a2b:Ba-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A3BC24D5E7_mC80_8_a2b_a_4a20b_3a2b_3a4b:Ba-Mn-O-Sr-Ti, expected Ba5Sr7Ti11MnO44 to be Ba3Sr5Ti7MnO24" +mp-1246044,Ba2Sr6Ti7MnO22,-8.2813873329,-3.3542157104,0.0770765404,0.0770765404,GGA+U,Cmm2,A2BC22D6E7_oC76_35_d_a_2b2c4f_d2e_a2b2c:Ba-Mn-O-Sr-Ti,38.0,"Invalid WP multiplicities - A2BC22D6E7_oC76_35_d_a_2b4c12f_2d4e_a2b4c:Ba-Mn-O-Sr-Ti, expected Ba2Sr12Ti11MnO58 to be Ba2Sr6Ti7MnO22" +mp-1076186,Ba3Sr5Ti7MnO20,-8.1273874621,-3.1949256365,0.1214504328,0.1214504328,GGA+U,P1,A3BC20D5E7_aP144_1_12a_4a_80a_20a_28a:Ba-Mn-O-Sr-Ti,144.0,A3BC20D5E7_aP144_1_12a_4a_80a_20a_28a:Ba-Mn-O-Sr-Ti +mp-1076196,BaSr7Ti6Mn2O20,-8.1231775765,-3.1682835203,0.1429414157,0.1429414157,GGA+U,P1,AB2C20D7E6_aP144_1_4a_8a_80a_28a_24a:Ba-Mn-O-Sr-Ti,144.0,AB2C20D7E6_aP144_1_4a_8a_80a_28a_24a:Ba-Mn-O-Sr-Ti +mp-1075988,BaSr7Ti6Mn2O24,-8.2277087202,-3.2736351986,0.0147010776,0.0147010776,GGA+U,Amm2,AB2C24D7E6_oC80_38_a_c_2a2bde4f_a2bde_cf:Ba-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB2C24D7E6_oC80_38_a_c_2a2b2d2e8f_a2b2d2e_cf:Ba-Mn-O-Sr-Ti, expected BaSr11Ti6Mn2O44 to be BaSr7Ti6Mn2O24" +mp-1076377,BaSr7Ti7MnO24,-8.3312401397,-3.4088296999,0.0104415554,0.0104415554,GGA+U,R3m,ABC24D7E7_hR120_160_a_a_4b2c_a2b_a2b:Ba-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - ABC24D7E7_hR120_160_a_a_12b10c_a6b_a4b:Ba-Mn-O-Sr-Ti, expected BaSr19Ti13MnO96 to be BaSr7Ti7MnO24" +mp-1076337,Ba2Sr6Ti7MnO24,-8.325061613,-3.396914136,0.0148555904,0.0148555904,GGA+U,Cmm2,A2BC24D6E7_oC80_35_d_a_2a2b2c4f_d2e_a2b2c:Ba-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - A2BC24D6E7_oC80_35_d_a_2a2b4c12f_2d4e_a2b4c:Ba-Mn-O-Sr-Ti, expected Ba2Sr12Ti11MnO60 to be Ba2Sr6Ti7MnO24" +mp-1076193,BaSr7Ti7MnO20,-8.134355436,-3.2146425819,0.111851829,0.111851829,GGA+U,P1,ABC20D7E7_aP144_1_4a_4a_80a_28a_28a:Ba-Mn-O-Sr-Ti,144.0,ABC20D7E7_aP144_1_4a_4a_80a_28a_28a:Ba-Mn-O-Sr-Ti +mp-1099624,BaSr7Ti5Mn3O24,-8.1234736323,-3.1377370287,0.0196642684,0.0196642684,GGA+U,Cm,AB3C24D7E5_mC80_8_a_ab_4a10b_3a2b_3ab:Ba-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB3C24D7E5_mC80_8_a_ab_4a18b_3a4b_3ab:Ba-Mn-O-Sr-Ti, expected BaSr11Ti5Mn3O40 to be BaSr7Ti5Mn3O24" +mp-1076493,BaSr7Ti5Mn3O20,-8.1164049242,-3.1263296659,0.0884587221,0.0884587221,GGA+U,P1,AB3C20D7E5_aP144_1_4a_12a_80a_28a_20a:Ba-Mn-O-Sr-Ti,144.0,AB3C20D7E5_aP144_1_4a_12a_80a_28a_20a:Ba-Mn-O-Sr-Ti +mp-694964,Na4MnAl3Si3O16,-7.2555241983,-2.7699013307,0.0051210326,0.0051210326,GGA+U,P2,A3BC4D16E3_mP54_3_2a2e_bc_4e_16e_2d2e:Al-Mn-Na-O-Si,54.0,A3BC4D16E3_mP54_3_2a2e_cd_4e_16e_2b2e:Al-Mn-Na-O-Si +mp-1188172,Ti5CuSb3,-6.7709919567,-0.5528063485,0.0,-0.0522605767,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Cu-Sb-Ti,18.0,AB3C5_hP18_193_b_g_dg:Cu-Sb-Ti +mp-776445,Li4Ti2Cu3Sb3O16,-6.6501490857,-2.1052091354,0.0817351696,0.0817351696,GGA,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cu-Li-O-Sb-Ti,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cu-Li-O-Sb-Ti, expected Li4Ti2Cu3Sb3O20 to be Li4Ti2Cu3Sb3O16" +mp-13020,Ti5CuSb2,-6.9179121706,-0.4385785165,0.0016658111,0.0016658111,GGA,I4/mcm,AB2C5_tI32_140_a_h_bk:Cu-Sb-Ti,16.0,"Invalid WP multiplicities - AB2C5_tI32_140_a_h_b2k:Cu-Sb-Ti, expected Ti9CuSb2 to be Ti5CuSb2" +mp-505804,Ti2CuSb3,-5.7744647617,-0.3949323578,0.0571649801,0.0571649801,GGA,P-4m2,AB3C2_tP6_115_a_bg_g:Cu-Sb-Ti,6.0,AB3C2_tP6_115_a_bg_g:Cu-Sb-Ti +mp-1207191,TiCu2Sb,-4.9801493275,0.0755773217,0.3644780214,0.3644780214,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Sb-Ti,4.0,A2BC_cF16_225_c_a_b:Cu-Sb-Ti +mp-684467,Rb2EuGa(SiO3)4,-7.8443644858,-3.0289793546,0.0,-0.0423592306,GGA,P-1,ABC12D2E4_aP80_2_2i_2i_24i_4i_8i:Eu-Ga-O-Rb-Si,80.0,"Invalid WP multiplicities - ABC12D2E4_mC160_15_f_f_47f_4f_9f:Eu-Ga-O-Rb-Si, expected Rb4EuGaSi9O47 to be Rb2EuGa(SiO3)4" +mp-1203461,Rb2EuGa(SiO3)4,-7.8438672785,-3.0284821474,0.0004972073,-0.0418620233,GGA,C2/c,ABC12D2E4_mC160_15_f_f_12f_2f_4f:Eu-Ga-O-Rb-Si,80.0,ABC12D2E4_mC160_15_f_f_12f_2f_4f:Eu-Ga-O-Rb-Si +mp-1225124,EuGaSi,-6.7663364233,-0.5295311392000001,0.0,-0.0130188708,GGA,P-6m2,ABC_hP3_187_b_c_e:Eu-Ga-Si,3.0,ABC_hP3_187_b_c_e:Eu-Ga-Si +mp-1218745,Sr4CuIr2O9,-6.7681349204,-2.2022444676,0.0,-0.0075269157,GGA,P1,AB2C9D4_aP48_1_3a_6a_27a_12a:Cu-Ir-O-Sr,48.0,AB2C9D4_aP48_1_3a_6a_27a_12a:Cu-Ir-O-Sr +mp-504867,Sr3CuIrO6,-6.6023250432000005,-2.2672110907,0.0,-0.000698907,GGA,C2/c,ABC6D3_mC44_15_e_c_3f_ef:Cu-Ir-O-Sr,22.0,ABC6D3_mC44_15_e_c_3f_ef:Cu-Ir-O-Sr +mp-1218849,Sr2GdCu2IrO8,-7.5834922371,-2.2931017831,0.0,-0.0866737646,GGA,Amm2,A2BCD8E2_oC28_38_c_b_a_cdf_c:Cu-Gd-Ir-O-Sr,14.0,A2BCD8E2_oC28_38_c_b_a_cdf_c:Cu-Gd-Ir-O-Sr +mp-1522999,NaCaGdSeO6,-7.414044937,-2.3560158211,0.1976567614,0.1976567614,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-Na-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-Na-O-Se +mp-1518481,SrEuDyNbO6,-9.0698188155,-3.4363468754,0.0337294151,0.0337294151,GGA,P222,ABCD6E_oP40_16_u_abch_u_6u_defg:Dy-Eu-Nb-O-Sr,,ABCD6E_oP40_16_u_abch_u_6u_defg:Dy-Eu-Nb-O-Sr +mp-1518315,SrEuDyNbO6,-9.016530808,-3.3830588679,0.0870174226,0.0870174226,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Nb-O-Sr +mp-1235139,Ba2LiTbSnO6,-6.82288973,-2.8164403692,0.1082080086,0.1082080086,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Li-O-Sn-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_e2l_a_b:Ba-Li-O-Sn-Tb, expected Ba2LiTbSnO10 to be Ba2LiTbSnO6" +mp-1235084,Ba2LiTbSnO6,-6.7834767773,-2.7770274164,0.1476209614,0.1476209614,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Li-O-Sn-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Li-O-Sn-Tb, expected Ba2LiTbSnO15 to be Ba2LiTbSnO6" +mp-1235153,Ba2LiTbSnO6,-6.8047892518,-2.798339891,0.1263084868,0.1263084868,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Li-O-Sn-Tb,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Li-O-Sn-Tb, expected Ba2LiTbSnO15 to be Ba2LiTbSnO6" +mp-1195875,EuSn3Sb4,-5.2280185241,-0.3778032334,0.0,-0.0303886068,GGA,Pnma,AB4C3_oP32_62_c_4c_3c:Eu-Sb-Sn,32.0,AB4C3_oP32_62_c_4c_3c:Eu-Sb-Sn +mp-945228,Eu(GaSb)2,-5.489329016,-0.575089751,0.0,-0.0187515706,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Eu-Ga-Sb,20.0,AB2C2_oP20_62_c_2c_2c:Eu-Ga-Sb +mp-1517904,EuGaSnSbO6,-7.248865782,-2.1384854635,0.1933645525,0.1933645525,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Ga-O-Sb-Sn,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Ga-O-Sb-Sn +mp-1209908,NdCrSb3,-5.9313072895,-0.569667565,0.0,-0.00360783,GGA,Pbcm,ABC3_oP20_57_c_d_c2d:Cr-Nd-Sb,20.0,ABC3_oP20_57_c_d_c2d:Cr-Nd-Sb +mp-758690,Li4Mn2Ni3O10,-6.5870087121,-1.7045340172,0.0595745663,0.0595745663,GGA+U,P-1,A4B2C3D10_aP19_2_2i_i_ai_5i:Li-Mn-Ni-O,19.0,"Invalid WP multiplicities - A4B2C3D10_aP19_2_3i_i_ai_9i:Li-Mn-Ni-O, expected Li6Mn2(NiO6)3 to be Li4Mn2Ni3O10" +mp-1222526,Li5Mn2NiO8,-6.5565157659,-1.9801225605,0.0300959586,0.0300959586,GGA+U,C2/m,A5B2CD8_mC32_12_abce_f_d_2ij:Li-Mn-Ni-O,32.0,A5B2CD8_mC32_12_abcf_e_d_2ij:Li-Mn-Ni-O +mp-756364,Li3Mn(NiO3)2,-6.4454903196,-1.7680578596,0.0249793019,0.0249793019,GGA+U,C2/m,A3BC2D6_mC24_12_ai_c_i_3i:Li-Mn-Ni-O,24.0,A3BC2D6_mC24_12_ai_d_i_3i:Li-Mn-Ni-O +mp-867526,Li3Mn(NiO3)2,-6.4324582246,-1.7550257646,0.0380113969,0.0380113969,GGA+U,C2/c,A3BC2D6_mC48_15_ef_c_f_3f:Li-Mn-Ni-O,24.0,"Invalid WP multiplicities - A3BC2D6_mC48_15_2e3f_a_f_10f:Li-Mn-Ni-O, expected Li8Mn(NiO10)2 to be Li3Mn(NiO3)2" +mp-758487,Li4Mn2Ni5O12,-6.5925814993,-1.626465413,0.0427932337,0.0427932337,GGA+U,P2_1,A4B2C5D12_mP46_4_4a_2a_5a_12a:Li-Mn-Ni-O,46.0,"Invalid WP multiplicities - A4B2C5D12_mP46_4_8a_3a_10a_24a:Li-Mn-Ni-O, expected Li8Mn3(Ni5O12)2 to be Li4Mn2Ni5O12" +mp-778315,Li10Mn3Co2Ni3O16,-6.4255367762,-1.7996738482,0.0937072268,0.0937072268,GGA+U,P1,A2B10C3D3E16_aP34_1_2a_10a_3a_3a_16a:Co-Li-Mn-Ni-O,34.0,A2B10C3D3E16_aP34_1_2a_10a_3a_3a_16a:Co-Li-Mn-Ni-O +mp-769460,Li9Mn12Ni3O32,-7.3712302532,-1.9648206442,0.0009540404,0.0009540404,GGA+U,C2,A9B12C3D32_mC112_5_a4c_ab5c_bc_16c:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A9B12C3D32_mC112_5_a7c_ab10c_b2c_30c:Li-Mn-Ni-O, expected Li15Mn22(NiO12)5 to be Li9Mn12Ni3O32" +mp-1176793,Li9Mn12Ni3O32,-7.3686437391,-1.9622341301,0.0035405545,0.0035405545,GGA+U,R32,A9B12C3D32_hR168_155_acf_def_e_c5f:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A9B12C3D32_hR168_155_ac3f_3d3e4f_e_2c26f:Li-Mn-Ni-O, expected Li21Mn42Ni3O160 to be Li9Mn12Ni3O32" +mp-759369,Li6MnNi7O16,-6.1279382938,-1.4538206728,0.0312005911,0.0312005911,GGA+U,P1,A6BC7D16_aP60_1_12a_2a_14a_32a:Li-Mn-Ni-O,60.0,A6BC7D16_aP60_1_12a_2a_14a_32a:Li-Mn-Ni-O +mp-758650,Li6MnNi7O16,-6.129723722,-1.4556061009,0.029415163,0.029415163,GGA+U,P-1,A6BC7D16_aP60_2_6i_i_bd6i_16i:Li-Mn-Ni-O,60.0,"Invalid WP multiplicities - A6BC7D16_aP60_2_10i_i_bd12i_30i:Li-Mn-Ni-O, expected Li10MnNi13O30 to be Li6MnNi7O16" +mp-756351,Li3Mn4NiO8,-7.4875378588,-2.0045081001,0.0165556424,0.0165556424,GGA+U,C2/m,A3B4CD8_mC32_12_ae_bcf_d_2ij:Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A3B4CD8_mC32_12_a2f_bce_d_3i2j:Li-Mn-Ni-O, expected Li5Mn4NiO14 to be Li3Mn4NiO8" +mp-754927,Li5Mn2Ni3O10,-6.570807765,-1.8370106615,0.0149084432,0.0149084432,GGA+U,P-1,A5B2C3D10_aP20_2_b2i_i_di_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5B2C3D10_aP20_2_b4i_i_di_9i:Li-Mn-Ni-O, expected Li9Mn2(NiO6)3 to be Li5Mn2Ni3O10" +mp-1377395,Li5Mn2Ni3O10,-4.7002738055,0.033523298,1.8854424027,1.8854424027,GGA+U,P-1,A5B2C3D10_aP20_2_b2i_i_ei_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5B2C3D10_aP20_2_b4i_i_ei_9i:Li-Mn-Ni-O, expected Li9Mn2(NiO6)3 to be Li5Mn2Ni3O10" +mp-762633,LiMn2NiO6,-7.259403532,-1.6900812922,0.0808938923,0.0808938923,GGA+U,P-1,AB2CD6_aP10_2_a_i_c_3i:Li-Mn-Ni-O,10.0,"Invalid WP multiplicities - AB2CD6_aP10_2_a_i_c_6i:Li-Mn-Ni-O, expected LiMn2NiO12 to be LiMn2NiO6" +mp-25284,LiMn2NiO6,-7.2715321585,-1.7022099187,0.0687652658,0.0687652658,GGA+U,C2/c,AB2CD6_mC40_15_e_f_c_3f:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_mC40_15_e_f_a_7f:Li-Mn-Ni-O, expected LiMn2NiO14 to be LiMn2NiO6" +mp-756870,Li3Mn(NiO2)4,-6.4886979975,-1.6397704786,0.0096877543,0.0096877543,GGA+U,C2/m,A3BC4D8_mC32_12_ae_d_bcf_2ij:Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A3BC4D8_mC32_12_a2e_c_bdf_3i2j:Li-Mn-Ni-O, expected Li5Mn(Ni2O7)2 to be Li3Mn(NiO2)4" +mp-867541,Li4Mn3Co2Ni3O16,-6.7938589986,-1.5857946288,0.0782449871,0.0782449871,GGA+U,Cm,A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a4b:Co-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a6b:Co-Li-Mn-Ni-O, expected Li4Mn3Co2Ni3O20 to be Li4Mn3Co2Ni3O16" +mp-772976,Li8Mn15NiO32,-7.691663927,-2.0349534314,0.0045166856,0.0045166856,GGA+U,R32,A8B15CD32_hR168_155_cf_d2ef_a_c5f:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A8B15CD32_hR168_155_c2f_3d6e5f_a_2c26f:Li-Mn-Ni-O, expected Li14Mn57NiO160 to be Li8Mn15NiO32" +mp-760206,Li4Mn3NiO8,-7.05394148,-2.0242299979,0.0261440672,0.0261440672,GGA+U,C2/m,A4B3CD8_mC32_12_abf_ce_d_2ij:Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ab2e_c2f_d_4i3j:Li-Mn-Ni-O, expected Li6Mn5NiO20 to be Li4Mn3NiO8" +mp-753964,Li4Mn5NiO12,-7.3278984759,-1.9376180604,0.0911750332,0.0911750332,GGA+U,C2/m,A4B5CD12_mC44_12_j_agh_d_2i2j:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A4B5CD12_mC44_12_j_a2g2h_c_4i4j:Li-Mn-Ni-O, expected Li4Mn9NiO24 to be Li4Mn5NiO12" +mp-1177919,Li2Mn3NiO8,-7.3733845111,-1.897846084,0.0535342807,0.0320435955,GGA+U,P2_1,A2B3CD8_mP56_4_4a_6a_2a_16a:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A2B3CD8_cP56_198_5a_b_a_8a13b:Li-Mn-Ni-O, expected Li5Mn3NiO47 to be Li2Mn3NiO8" +mp-753229,Li2Mn3NiO8,-7.3544741886,-1.8789357615,0.0724446032,0.050953918,GGA+U,C2/m,A2B3CD8_mC28_12_cd_ae_b_2ij:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2B3CD8_mC28_12_ab_c2e_d_3i2j:Li-Mn-Ni-O, expected Li2Mn5NiO14 to be Li2Mn3NiO8" +mp-775319,Li2Mn3NiO8,-7.3501178543,-1.8745794272,0.0768009375,0.0553102522,GGA+U,R3m,A2B3CD8_hR42_160_2a_b_a_2a2b:Li-Mn-Ni-O,14.0,A2B3CD8_hR42_160_2a_b_a_2a2b:Li-Mn-Ni-O +mp-769631,Li2Mn3NiO8,-7.4151216229,-1.9395831957,0.0117971689,-0.0096935163,GGA+U,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c3h:Li-Mn-Ni-O, expected Li2Mn3NiO22 to be Li2Mn3NiO8" +mp-771971,Li2Mn3NiO8,-7.3797624896,-1.9042240625,0.0471563021,0.0256656169,GGA+U,P6_3mc,A2B3CD8_hP28_186_ab_c_b_ab2c:Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A2B3CD8_hP28_186_a2b_c_b_a2b9c:Li-Mn-Ni-O, expected Li3Mn3NiO30 to be Li2Mn3NiO8" +mp-775284,Li2Mn3NiO8,-7.360385657,-1.8848472299,0.0665331348,0.0450424496,GGA+U,P2_13,A2B3CD8_cP56_198_2a_b_a_2a2b:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A2B3CD8_cP56_198_5a_b_a_8a13b:Li-Mn-Ni-O, expected Li5Mn3NiO47 to be Li2Mn3NiO8" +mp-771112,Li2Mn3NiO8,-7.4269187918,-1.9513803647,0.0,-0.0214906853,GGA+U,P4_332,A2B3CD8_cP56_212_c_d_a_ce:Li-Mn-Ni-O,56.0,"Invalid WP multiplicities - A2B3CD8_cP56_212_c_d_a_8c9e:Li-Mn-Ni-O, expected Li2Mn3NiO70 to be Li2Mn3NiO8" +mp-758663,Li4Mn(Ni2O5)2,-6.2515530379,-1.5470719541,0.0337852583,0.0337852583,GGA+U,P-1,A4BC4D10_aP38_2_ad3i_bf_4i_10i:Li-Mn-Ni-O,38.0,"Invalid WP multiplicities - A4BC4D10_aP38_2_ad6i_bf_8i_18i:Li-Mn-Ni-O, expected Li7Mn(Ni4O9)2 to be Li4Mn(Ni2O5)2" +mp-850209,Li5Mn(Ni2O5)2,-6.223560438,-1.6588572651,0.0164160102,0.0164160102,GGA+U,P-1,A5BC4D10_aP20_2_b2i_d_2i_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5BC4D10_aP20_2_b3i_d_2i_9i:Li-Mn-Ni-O, expected Li7Mn(Ni2O9)2 to be Li5Mn(Ni2O5)2" +mp-753219,Li3MnNi3O8,-6.3710651273,-1.5842182192,0.0185669309,0.0185669309,GGA+U,C2/m,A3BC3D8_mC30_12_cf_b_ae_2ij:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_ce_a_b2f_4i3j:Li-Mn-Ni-O, expected Li3Mn(NiO4)5 to be Li3MnNi3O8" +mp-771310,Li3MnNi3O8,-6.349766098,-1.5629191899,0.0398659603,0.0398659603,GGA+U,R-3m,A3BC3D8_hR45_166_d_a_e_ch:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_d_a_e_2c2h:Li-Mn-Ni-O, expected Li3MnNi3O16 to be Li3MnNi3O8" +mp-763752,Li3Mn2(NiO4)2,-6.380105806,-1.3678003237,0.4636938607,0.4636938607,GGA+U,P-1,A3B2C2D8_aP15_2_dfg_ce_ab_4i:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3B2C2D8_aP15_2_dfg_ce_ab_7i:Li-Mn-Ni-O, expected Li3Mn2(NiO7)2 to be Li3Mn2(NiO4)2" +mp-1409490,Li3Mn2(NiO4)2,-3.911368508,1.1009369743,2.9324311587,2.9324311587,GGA+U,P-1,A3B2C2D8_aP15_2_efg_ad_bc_4i:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3B2C2D8_aP15_2_efg_ad_bc_7i:Li-Mn-Ni-O, expected Li3Mn2(NiO7)2 to be Li3Mn2(NiO4)2" +mp-755837,Li5Mn3(NiO5)2,-6.8121938625,-1.9093028284,0.0749920092,0.0749920092,GGA+U,P-1,A5B3C2D10_aP20_2_b2i_di_i_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5B3C2D10_aP20_2_b4i_di_i_9i:Li-Mn-Ni-O, expected Li9Mn3(NiO9)2 to be Li5Mn3(NiO5)2" +mp-886355,Li5Mn3(NiO5)2,-3.806753295,1.0961377391,3.0804325767,3.0804325767,GGA+U,P-1,A5B3C2D10_aP20_2_b2i_di_i_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5B3C2D10_aP20_2_b4i_di_i_9i:Li-Mn-Ni-O, expected Li9Mn3(NiO9)2 to be Li5Mn3(NiO5)2" +mp-1377376,Li5Mn3(NiO5)2,-5.4713682045,-0.5684771704,1.4158176672,1.4158176672,GGA+U,P-1,A5B3C2D10_aP20_2_b2i_ci_i_5i:Li-Mn-Ni-O,20.0,"Invalid WP multiplicities - A5B3C2D10_aP20_2_b4i_ci_i_9i:Li-Mn-Ni-O, expected Li9Mn3(NiO9)2 to be Li5Mn3(NiO5)2" +mp-779228,Li4MnNi5O12,-6.1936494214,-1.4182560262,0.0618175351,0.0618175351,GGA+U,C2,A4BC5D12_mC44_5_2c_a_2a3b_6c:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A4BC5D12_mC44_5_2c_a_2a3b_11c:Li-Mn-Ni-O, expected Li4MnNi5O22 to be Li4MnNi5O12" +mp-755746,Li4MnNi5O12,-6.1863274445,-1.4109340494,0.0691395119,0.0691395119,GGA+U,C2/m,A4BC5D12_mC44_12_j_a_dgh_2i2j:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A4BC5D12_mC44_12_j_a_cg2h_4i5j:Li-Mn-Ni-O, expected Li4Mn(NiO4)7 to be Li4MnNi5O12" +mp-762624,Li2Mn(NiO3)2,-6.5242446127,-1.5951294625,0.0408820768,0.0408820768,GGA+U,C2,A2BC2D6_mC22_5_c_a_c_3c:Li-Mn-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_5_c_a_c_6c:Li-Mn-Ni-O, expected Li2Mn(NiO6)2 to be Li2Mn(NiO3)2" +mp-755899,Li2Mn(NiO3)2,-6.5091895314,-1.5800743811,0.0559371581,0.0559371581,GGA+U,Cmce,A2BC2D6_oC44_64_e_a_d_fg:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A2BC2D6_oC44_64_e_a_d_2f3g:Li-Mn-Ni-O, expected Li2Mn(NiO8)2 to be Li2Mn(NiO3)2" +mp-776416,Li4Mn2Co3Ni3O16,-6.6233660486,-1.488648018,0.0927635786,0.0927635786,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Co-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Co-Li-Mn-Ni-O, expected Li4Mn2Co3Ni3O20 to be Li4Mn2Co3Ni3O16" +mp-756831,Li3Mn2NiO6,-6.9308945808,-1.9716389032,0.04202448,0.04202448,GGA+U,C2/m,A3B2CD6_mC24_12_ai_i_c_3i:Li-Mn-Ni-O,12.0,A3B2CD6_mC24_12_ai_i_d_3i:Li-Mn-Ni-O +mp-758846,Li3Mn2Ni5O12,-6.6286380436,-1.5235586291,0.0592363404,0.0592363404,GGA+U,C2,A3B2C5D12_mC44_5_ac_ab_a2bc_6c:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A3B2C5D12_mC44_5_ac_ab_a2b2c_11c:Li-Mn-Ni-O, expected Li3Mn2Ni7O22 to be Li3Mn2Ni5O12" +mp-753186,Li4Mn3(NiO4)3,-6.8406596945,-1.7578227892,0.034126728,0.034126728,GGA+U,P-1,A4B3C3D12_aP22_2_adi_ci_ei_6i:Li-Mn-Ni-O,22.0,"Invalid WP multiplicities - A4B3C3D12_aP22_2_ad2i_ci_ei_12i:Li-Mn-Ni-O, expected Li2MnNiO8 to be Li4Mn3(NiO4)3" +mp-758510,Li2Mn2NiO6,-7.1173839645,-1.8808253041,0.0665047532,0.0665047532,GGA+U,P-1,A2B2CD6_aP33_2_3i_3i_ai_9i:Li-Mn-Ni-O,33.0,"Invalid WP multiplicities - A2B2CD6_aP33_2_5i_4i_ai_18i:Li-Mn-Ni-O, expected Li10Mn8(NiO12)3 to be Li2Mn2NiO6" +mp-554979,Li2Mn2NiO6,-7.1145272509,-1.8779685905,0.0693614668,0.0693614668,GGA+U,Cmce,A2B2CD6_oC44_64_e_d_a_fg:Li-Mn-Ni-O,22.0,A2B2CD6_oC44_64_e_d_a_fg:Li-Mn-Ni-O +mp-757987,Li3Mn3NiO8,-7.2102213733,-1.9724573169,0.0327221568,0.0327221568,GGA+U,P-1,A3B3CD8_aP15_2_adg_bef_c_4i:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_aP15_2_adg_bef_c_7i:Li-Mn-Ni-O, expected Li3Mn3NiO14 to be Li3Mn3NiO8" +mp-764043,Li3Mn3NiO8,-6.4234248407,-1.1856607843,0.8195186895000001,0.8195186895000001,GGA+U,Cc,A3B3CD8_mC60_9_3a_3a_a_8a:Li-Mn-Ni-O,30.0,"Invalid WP multiplicities - A3B3CD8_mC60_9_6a_6a_a_16a:Li-Mn-Ni-O, expected Li6Mn6NiO16 to be Li3Mn3NiO8" +mp-863332,Li3Mn3NiO8,-7.1548658007,-1.9171017443,0.0880777295,0.0880777295,GGA+U,C2/m,A3B3CD8_mC30_12_cf_be_a_2ij:Li-Mn-Ni-O,15.0,"Invalid WP multiplicities - A3B3CD8_mC30_12_c2e_a2f_b_4i3j:Li-Mn-Ni-O, expected Li5Mn5NiO20 to be Li3Mn3NiO8" +mp-760989,Li3Mn3NiO8,-7.108669658,-1.8709056016,0.1342738722,0.1342738722,GGA+U,P6_3mc,A3B3CD8_hP30_186_c_c_b_ab2c:Li-Mn-Ni-O,30.0,"Invalid WP multiplicities - A3B3CD8_hP30_186_c_c_b_2a2b9c:Li-Mn-Ni-O, expected Li3Mn3NiO31 to be Li3Mn3NiO8" +mp-1177345,Li4MnNi3O8,-6.3181164344,-1.7111397788,0.0082949539,0.0082949539,GGA+U,R-3m,A4BC3D8_hR48_166_ae_b_d_ch:Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A4BC3D8_hR48_166_a2e_b_d_c2h:Li-Mn-Ni-O, expected Li7MnNi3O14 to be Li4MnNi3O8" +mp-754945,Li2MnNiO4,-6.7198510563,-1.9015069874,0.0387350319,0.0387350319,GGA+U,P2/m,A2BCD4_mP8_10_bc_d_h_mn:Li-Mn-Ni-O,8.0,"Invalid WP multiplicities - A2BCD4_mP8_10_bc_e_g_2m2n:Li-Mn-Ni-O, expected Li2MnNiO8 to be Li2MnNiO4" +mp-1284127,Li2MnNiO4,-6.6788144037,-1.8604703349,0.0797716844,0.0797716844,GGA+U,C222,A2BCD4_oC32_21_ack_bd_k_efl:Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A2BCD4_oC32_21_ack_bd_k_2e2fl:Li-Mn-Ni-O, expected Li2MnNiO6 to be Li2MnNiO4" +mp-753347,Li2MnNiO4,-6.72774361,-1.9093995412,0.0308424781,0.0308424781,GGA+U,Imma,A2BCD4_oI32_74_ac_b_d_hi:Li-Mn-Ni-O,16.0,A2BCD4_oI32_74_ac_b_d_hi:Li-Mn-Ni-O +mp-1177894,Li2MnNiO4,-6.68334106,-1.8649969912,0.0752450281,0.0752450281,GGA+U,I-4m2,A2BCD4_tI16_119_ac_b_d_ef:Li-Mn-Ni-O,8.0,"Invalid WP multiplicities - A2BCD4_tI16_119_ac_b_d_2e2f:Li-Mn-Ni-O, expected Li2MnNiO8 to be Li2MnNiO4" +mp-760956,Li6Mn5Ni3O16,-6.9901605063000005,-1.865125737,0.0803141768,0.0803141768,GGA+U,Cm,A6B5C3D16_mC60_8_2a2b_3ab_ab_8a4b:Li-Mn-Ni-O,30.0,"Invalid WP multiplicities - A6B5C3D16_mC60_8_2a2b_3ab_ab_8a7b:Li-Mn-Ni-O, expected Li6Mn5Ni3O22 to be Li6Mn5Ni3O16" +mp-774245,Li5Mn5(NiO6)2,-7.2371330121,-1.9756651501,0.0278768502,0.0278768502,GGA+U,C2,A5B5C2D12_mC48_5_a2c_a2bc_ab_6c:Li-Mn-Ni-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a4c_a2bc_ab_6c:Li-Mn-Ni-O, expected Li9Mn5(NiO6)2 to be Li5Mn5(NiO6)2" +mp-756534,Li4Mn5Ni3O16,-7.1244666289,-1.7697095808,0.0595860737,0.0595860737,GGA+U,Cm,A4B5C3D16_mC56_8_4a_3ab_ab_8a4b:Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A4B5C3D16_mC56_8_4a_3a2b_ab_8a6b:Li-Mn-Ni-O, expected Li4Mn7Ni3O20 to be Li4Mn5Ni3O16" +mp-756366,LiMnNiO4,-6.9411866136,-1.7072109445,0.0,-0.0005783192,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h3i:Li-Mn-Ni-O, expected LiMnNiO10 to be LiMnNiO4" +mp-758838,Li4Mn5(NiO6)2,-7.3393579207,-1.9321272327,0.0418652093,0.0418652093,GGA+U,P2_1,A4B5C2D12_mP46_4_4a_5a_2a_12a:Li-Mn-Ni-O,46.0,"Invalid WP multiplicities - A4B5C2D12_mP46_4_8a_10a_3a_24a:Li-Mn-Ni-O, expected Li8Mn10(NiO8)3 to be Li4Mn5(NiO6)2" +mp-1222620,Li4MnCo2NiO8,-6.5377266575,-1.7647273626,0.0816789716,0.0816789716,GGA+U,Cm,A2B4CDE8_mC32_8_2a_4a_a_a_8a:Co-Li-Mn-Ni-O,16.0,A2B4CDE8_mC32_8_2a_4a_a_a_8a:Co-Li-Mn-Ni-O +mp-1222609,Li4MnCo2NiO8,-6.53372263,-1.7607233351,0.0856829991,0.0856829991,GGA+U,P2/m,A2B4CDE8_mP16_10_m_cdn_b_h_2m2n:Co-Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A2B4CDE8_mP16_10_m_cg2n_b_e_4m4n:Co-Li-Mn-Ni-O, expected Li6MnCo2NiO16 to be Li4MnCo2NiO8" +mp-1222625,Li4MnCo2NiO8,-6.5224196256,-1.7494203307,0.0969860034,0.0969860034,GGA+U,P2/m,A2B4CDE8_mP16_10_bc_mn_d_h_2m2n:Co-Li-Mn-Ni-O,16.0,"Invalid WP multiplicities - A2B4CDE8_mP16_10_bc_mn_e_g_4m4n:Co-Li-Mn-Ni-O, expected Li4MnCo2NiO16 to be Li4MnCo2NiO8" +mp-1222664,Li4MnCo2NiO8,-6.4750085125,-1.7020092176,0.1443971166,0.1443971166,GGA+U,R3m,A2B4CDE8_hR48_160_2a_4a_a_a_8a:Co-Li-Mn-Ni-O,16.0,A2B4CDE8_hR48_160_2a_4a_a_a_8a:Co-Li-Mn-Ni-O +mp-758046,Li4Mn3Co3(NiO8)2,-6.8397951329,-1.5842957233,0.1184184342,0.1184184342,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Co-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Co-Li-Mn-Ni-O, expected Li4Mn3Co3(NiO10)2 to be Li4Mn3Co3(NiO8)2" +mp-755150,LiMn3(NiO4)2,-7.49424412,-1.7421904205,0.0587207424,0.0587207424,GGA+U,Imm2,AB3C2D8_oI28_44_a_bc_d_2c2d:Li-Mn-Ni-O,14.0,AB3C2D8_oI28_44_a_bc_d_2c2d:Li-Mn-Ni-O +mp-761013,Li8MnNi7O16,-6.1003484741,-1.5990555251,0.0099755642,0.0099755642,GGA+U,P-1,A8BC7D16_aP32_2_4i_b_e3i_8i:Li-Mn-Ni-O,32.0,"Invalid WP multiplicities - A8BC7D16_aP32_2_6i_b_e4i_15i:Li-Mn-Ni-O, expected Li12Mn(Ni3O10)3 to be Li8MnNi7O16" +mp-757424,LiMn3NiO8,-7.4460306338,-1.6961371636,0.0830771635,0.0830771635,GGA+U,C2/m,AB3CD8_mC26_12_c_be_a_2ij:Li-Mn-Ni-O,13.0,"Invalid WP multiplicities - AB3CD8_mC26_12_c_a2f_b_3i2j:Li-Mn-Ni-O, expected LiMn5NiO14 to be LiMn3NiO8" +mp-1222667,Li5Mn2Co(NiO5)2,-6.6652671155,-1.8650609563,0.037646789,0.037646789,GGA+U,P1,AB5C2D2E10_aP20_1_a_5a_2a_2a_10a:Co-Li-Mn-Ni-O,20.0,AB5C2D2E10_aP20_1_a_5a_2a_2a_10a:Co-Li-Mn-Ni-O +mp-771232,Li5Mn2Ni5O12,-6.5592550858,-1.7205220503,0.0258641114,0.0258641114,GGA+U,C2,A5B2C5D12_mC48_5_a2c_ab_a2bc_6c:Li-Mn-Ni-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a4c_ab_a2bc_6c:Li-Mn-Ni-O, expected Li9Mn2Ni5O12 to be Li5Mn2Ni5O12" +mp-774906,Li2MnNi3O8,-6.4415655018,-1.4491525907,0.0130129599,0.0130129599,GGA+U,P1,A2BC3D8_aP56_1_8a_4a_12a_32a:Li-Mn-Ni-O,56.0,A2BC3D8_aP56_1_8a_4a_12a_32a:Li-Mn-Ni-O +mp-758714,Li2MnNi3O8,-6.3978109764,-1.4053980653,0.0567674853,0.0567674853,GGA+U,P-1,A2BC3D8_aP14_2_bf_c_ade_4i:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2BC3D8_aP14_2_bf_c_ade_7i:Li-Mn-Ni-O, expected Li2MnNi3O14 to be Li2MnNi3O8" +mp-1400982,Li2MnNi3O8,-3.2776335321,1.714779379,3.1769449296,3.1769449296,GGA+U,P-1,A2BC3D8_aP14_2_bf_a_cde_4i:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2BC3D8_aP14_2_bf_a_cde_7i:Li-Mn-Ni-O, expected Li2MnNi3O14 to be Li2MnNi3O8" +mp-752530,Li2MnNi3O8,-6.4035879793,-1.4111750682,0.0509904824,0.0509904824,GGA+U,C2/m,A2BC3D8_mC28_12_cd_a_be_2ij:Li-Mn-Ni-O,14.0,A2BC3D8_mC28_12_cd_a_be_2ij:Li-Mn-Ni-O +mp-756193,Li2MnNi3O8,-6.433564035,-1.4411511239,0.0210144267,0.0210144267,GGA+U,R-3m,A2BC3D8_hR42_166_c_a_d_ch:Li-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_166_c_a_d_2ch:Li-Mn-Ni-O, expected Li2MnNi3O10 to be Li2MnNi3O8" +mp-1222510,Li3MnCoNiO6,-6.6167379483,-1.8286237288,0.0490611671,0.0490611671,GGA+U,C2,AB3CDE6_mC24_5_a_3b_a_a_3c:Co-Li-Mn-Ni-O,12.0,"Invalid WP multiplicities - AB3CDE6_mC24_5_a_3b_a_a_6c:Co-Li-Mn-Ni-O, expected Li3MnCoNiO12 to be Li3MnCoNiO6" +mp-758709,Li3Mn5(NiO6)2,-7.4337134476,-1.8674687678,0.0708702853,0.0708702853,GGA+U,P1,A3B5C2D12_aP66_1_9a_15a_6a_36a:Li-Mn-Ni-O,66.0,A3B5C2D12_aP66_1_9a_15a_6a_36a:Li-Mn-Ni-O +mp-771196,Li8Mn12Ni4O31,-7.4222243275,-1.937070451,0.0194429243,0.0194429243,GGA+U,P1,A8B12C4D31_aP55_1_8a_12a_4a_31a:Li-Mn-Ni-O,55.0,A8B12C4D31_aP55_1_8a_12a_4a_31a:Li-Mn-Ni-O +mp-1120802,Li12MnCo(Ni5O12)2,-6.0701944721,-1.5764589855,0.0195133282,0.0195133282,GGA+U,C2/m,AB12CD10E24_mC96_12_a_cdf2ij_b_e2ij_6i3j:Co-Li-Mn-Ni-O,48.0,"Invalid WP multiplicities - AB12CD10E24_mC96_12_a_cde4i2j_b_f4i2j_12i6j:Co-Li-Mn-Ni-O, expected Li20MnCo(Ni3O8)6 to be Li12MnCo(Ni5O12)2" +mp-1522253,NaSrSnBiO6,-6.034686203,-1.9804650031,0.1362755758,0.1362755758,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-Na-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-Na-O-Sn-Sr +mp-1218405,SrBi3Br3O4,-5.3261507691,-1.9028052529,0.0450743191,0.0450743191,GGA,I4mm,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-Br-O-Sr,11.0,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-Br-O-Sr +mp-1218780,Sr2Nb2Bi3BrO11,-7.2689958479,-2.4758553989,0.1345412326,0.1345412326,GGA,P4/mmm,A3BC2D11E2_tP19_123_ah_b_h_ch2i_g:Bi-Br-Nb-O-Sr,19.0,A3BC2D11E2_tP19_123_ah_b_h_ch2i_g:Bi-Br-Nb-O-Sr +mp-1218502,SrBi2Br2O3,-5.2699723506,-1.8553980372,0.2227946394,0.2227946394,GGA,P4/nmm,A2B2C3D_tP16_129_2c_2c_af_c:Bi-Br-O-Sr,16.0,A2B2C3D_tP16_129_2c_2c_af_c:Bi-Br-O-Sr +mp-1179695,SrBiBr5O8,-4.0314319922,-0.5068563973,0.5597050874,0.5597050874,GGA,Pbam,AB5C8D_oP60_55_g_3gi_2h3i_h:Bi-Br-O-Sr,60.0,AB5C8D_oP60_55_g_3gi_2h3i_h:Bi-Br-O-Sr +mp-552234,SrBiBrO2,-5.760159174,-2.3648815068,0.0,-0.1028620238,GGA,Cmcm,ABC2D_oC20_63_c_c_e_c:Bi-Br-O-Sr,10.0,ABC2D_oC20_63_c_c_e_c:Bi-Br-O-Sr +mp-1198841,NbBi4BrO8,-6.7961538998,-2.0397396441,0.0,-0.0082022682,GGA,Pna2_1,A4BCD8_oP56_33_4a_a_a_8a:Bi-Br-Nb-O,56.0,A4BCD8_oP56_33_4a_a_a_8a:Bi-Br-Nb-O +mp-561382,NbBi4BrO8,-6.7961415889,-2.0397273332,1.23109e-05,-0.0081899573,GGA,Pbcn,A4BCD8_oP56_60_2d_a_c_4d:Bi-Br-Nb-O,56.0,"Invalid WP multiplicities - A4BCD8_oP56_60_10d_a_c_26d:Bi-Br-Nb-O, expected NbBi20BrO52 to be NbBi4BrO8" +mp-1516637,BaSrEuNbO6,-8.583893244,-3.2192024939,0.0309178133,0.0309178133,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Eu-Nb-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Eu-Nb-O-Sr, expected BaSrEuNbO12 to be BaSrEuNbO6" +mp-1516543,BaSrEuNbO6,-8.5804393738,-3.2157486237,0.0343716835,0.0343716835,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Eu-Nb-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Eu-Nb-O-Sr +mp-1516635,BaSrEuNbO6,-8.541118469,-3.1764277189,0.0736925883,0.0736925883,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Eu-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Eu-Nb-O-Sr +mp-1233052,Sr6Mg(Te4O11)2,-6.1386339786,-2.2005031796,0.093736262,0.093736262,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1233312,Sr6Mg(Te4O11)2,-6.1601440373,-2.2220132383,0.0722262034,0.0722262034,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1233607,Sr6Mg(Te4O11)2,-6.1528554738,-2.2147246748,0.0795147669,0.0795147669,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1233699,Sr6Mg(Te4O11)2,-6.1357294446,-2.1975986456,0.0966407961,0.0966407961,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234213,Sr6Mg(Te4O11)2,-6.1441322657,-2.2060014666,0.088237975,0.088237975,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234234,Sr6Mg(Te4O11)2,-6.1276200314,-2.1894892323,0.1047502093,0.1047502093,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234283,Sr6Mg(Te4O11)2,-6.1478013478,-2.2096705488,0.0845688928,0.0845688928,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234493,Sr6Mg(Te4O11)2,-6.1404012157,-2.2022704166,0.091969025,0.091969025,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234585,Sr6Mg(Te4O11)2,-6.1159666497,-2.1778358507,0.116403591,0.116403591,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-1234650,Sr6Mg(Te4O11)2,-6.1307739638,-2.1926431648,0.1015962769,0.1015962769,GGA,P1,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te,37.0,AB22C6D8_aP37_1_a_22a_6a_8a:Mg-O-Sr-Te +mp-13356,Ba2SrTeO6,-6.566622305,-2.7315341556,0.0,-0.1350767645,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-Te,10.0,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-Te +mp-1078995,Sr2MgTeO6,-6.500899455,-2.7206289432,0.0,-0.0372584878,GGA,C2/m,AB6C2D_mC20_12_a_ij_i_d:Mg-O-Sr-Te,10.0,AB6C2D_mC20_12_a_ij_i_d:Mg-O-Sr-Te +mp-1227325,BaSrMgTeO6,-6.489502624,-2.6862839636,0.0071893137,0.0071893137,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mg-O-Sr-Te,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mg-O-Sr-Te +mp-865532,BaMgTe2O7,-6.2702910355,-2.230955785,0.0020493287,0.0020493287,GGA,Ama2,ABC7D2_oC44_40_b_b_a2b2c_2b:Ba-Mg-O-Te,22.0,"Invalid WP multiplicities - ABC7D2_oC44_40_b_b_a4b3c_3b:Ba-Mg-O-Te, expected BaMgTe3O11 to be BaMgTe2O7" +mp-1228054,Ba3SrMg2(TeO6)2,-6.494588179,-2.6798954443,0.0,-0.0263511639,GGA,R3m,A3B2C12DE2_hR60_160_3a_2a_4b_a_2a:Ba-Mg-O-Sr-Te,20.0,"Invalid WP multiplicities - A3B2C12DE2_hR60_160_3a_2a_12b_a_2a:Ba-Mg-O-Sr-Te, expected Ba3SrMg2(TeO18)2 to be Ba3SrMg2(TeO6)2" +mp-1517447,SrEuDyFeO6,-8.192875993,-2.7225324359,0.1885379404,0.1885379404,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Fe-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Dy-Eu-Fe-O-Sr +mp-2227083,Ho2MgMo2(ClO4)2,-7.7130070873,-2.664541686,0.1105255768,0.1105255768,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Ho-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_8c:Cl-Ho-Mg-Mo-O, expected Ho2MgMo2(ClO8)2 to be Ho2MgMo2(ClO4)2" +mp-2242231,Ho2MgMo2(ClO4)2,-7.6863741847,-2.6379087833,0.1371584795,0.1371584795,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Ho-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_8c:Cl-Ho-Mg-Mo-O, expected Ho2MgMo2(ClO8)2 to be Ho2MgMo2(ClO4)2" +mp-2228760,Ho2MgMo2(ClO4)2,-7.564596556,-2.5161311547,0.2589361082,0.2589361082,GGA+U,Cm,A2B2CD2E8_mC30_8_2a_2a_a_2a_4a2b:Cl-Ho-Mg-Mo-O,15.0,A2B2CD2E8_mC30_8_2a_2a_a_2a_4a2b:Cl-Ho-Mg-Mo-O +mp-558005,HoMoClO4,-7.9824773986,-2.6877130436,0.0,-0.0224695231,GGA+U,C2/m,ABCD4_mC28_12_i_i_i_2ij:Cl-Ho-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_4i2j:Cl-Ho-Mo-O, expected HoMoClO8 to be HoMoClO4" +mp-1041103,HoMg(MoO3)2,-8.3898941285,-2.6344819877,0.0466956136,0.0466956136,GGA+U,Pc,ABC2D6_mP20_7_a_a_2a_6a:Ho-Mg-Mo-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_7_a_a_4a_12a:Ho-Mg-Mo-O, expected HoMg(MoO3)4 to be HoMg(MoO3)2" +mp-2230681,Ho5Mg(MoO6)2,-8.489896602,-3.2117021443,0.1461021859,0.1461021859,GGA+U,P1,A5BC2D12_aP20_1_5a_a_2a_12a:Ho-Mg-Mo-O,20.0,A5BC2D12_aP20_1_5a_a_2a_12a:Ho-Mg-Mo-O +mp-2231221,Ho5Mg(MoO6)2,-8.518106583,-3.2399121252,0.1178922049,0.1178922049,GGA+U,P1,A5BC2D12_aP20_1_5a_a_2a_12a:Ho-Mg-Mo-O,,A5BC2D12_aP20_1_5a_a_2a_12a:Ho-Mg-Mo-O +mp-2230947,Ho5Mg(MoO6)2,-8.585878585,-3.3076841273,0.0501202029,0.0501202029,GGA+U,C2/m,A5BC2D12_mC40_12_a2i_b_h_2i2j:Ho-Mg-Mo-O,20.0,A5BC2D12_mC40_12_a2i_b_h_2i2j:Ho-Mg-Mo-O +mp-1521790,NaSrPrMnO6,-6.929299084,-2.2657918779,0.201558922,0.201558922,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Mn-Na-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Mn-Na-O-Pr-Sr +mp-1048863,CaLaCrMoO6,-8.6067964925,-2.8947528093,0.0140111075,0.0140111075,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Mo-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Mo-O +mp-1227874,BaNdMnCoO6,-7.7106581665,-2.4468993938,0.0651934367,0.0651934367,GGA+U,Cmm2,ABCDE6_oC40_35_e_d_d_e_2a2b2c2d:Ba-Co-Mn-Nd-O,20.0,"Invalid WP multiplicities - ABCDE6_oC40_35_e_d_d_e_2a2b3c2d:Ba-Co-Mn-Nd-O, expected BaNdMnCoO7 to be BaNdMnCoO6" +mp-1227840,BaNdMnCoO5,-7.8567509778,-2.5577621982,0.0251217196,0.0251217196,GGA+U,P4mm,ABCDE5_tP9_99_b_a_a_b_a2c:Ba-Co-Mn-Nd-O,9.0,ABCDE5_tP9_99_b_a_a_b_a2c:Ba-Co-Mn-Nd-O +mp-1223914,Ho4ZrAl15,-4.577038883,-0.423990205,0.012513467,0.012513467,GGA,P4/mmm,A15B4C_tP20_123_ae2g2i_2h_c:Al-Ho-Zr,20.0,"Invalid WP multiplicities - A15B4C_tP20_123_a2e3g7i_3h_c:Al-Ho-Zr, expected Ho6ZrAl39 to be Ho4ZrAl15" +mp-1214508,Ba5Ho2ZrAl2O13,-7.7951044996,-3.4861698049,0.0,-0.0042224611,GGA,P6_3/mmc,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Ho-O-Zr,46.0,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Ho-O-Zr +mp-1099936,BaSr7Fe6(CoO12)2,-7.0832349798,-2.1456669539,0.0325486442,0.0325486442,GGA+U,Amm2,AB2C6D24E7_oC80_38_a_c_cf_2a2bde4f_a2bde:Ba-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - AB2C6D24E7_oC80_38_a_c_2c2f_2a2bde16f_a2b2d2e:Ba-Co-Fe-O-Sr, expected BaSr11Fe12(CoO36)2 to be BaSr7Fe6(CoO12)2" +mp-1076892,BaSr7Fe7CoO20,-6.6130008245,-1.6386211133000002,0.7007503029000001,0.7007503029000001,GGA+U,P1,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Ba-Co-Fe-O-Sr,144.0,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Ba-Co-Fe-O-Sr +mp-1099862,BaSr7Fe6(CoO10)2,-7.2238665994,-2.287311983,0.0249247161,0.0249247161,GGA+U,P1,AB2C6D20E7_aP144_1_4a_8a_24a_80a_28a:Ba-Co-Fe-O-Sr,144.0,AB2C6D20E7_aP144_1_4a_8a_24a_80a_28a:Ba-Co-Fe-O-Sr +mp-1075935,BaSr7Fe7CoO24,-7.142247389,-2.1706367778,0.0323599194,0.0323599194,GGA+U,R3m,ABC7D24E7_hR120_160_a_a_a2b_4b2c_a2b:Ba-Co-Fe-O-Sr,40.0,"Invalid WP multiplicities - ABC7D24E7_hR120_160_a_a_a4b_12b9c_a6b:Ba-Co-Fe-O-Sr, expected BaSr19Fe13CoO90 to be BaSr7Fe7CoO24" +mp-1211796,Pr10Ti9GaO34,-9.0129345033,-3.6410086162,0.0167034238,0.0167034238,GGA,P2_1/c,AB34C10D9_mP108_14_a_17e_5e_b4e:Ga-O-Pr-Ti,108.0,AB34C10D9_mP108_14_a_17e_5e_b4e:Ga-O-Pr-Ti +mp-554441,NaTi2Ga5O12,-7.2126472905,-2.6319345918,0.0013910081,0.0013910081,GGA,Pbam,A5BC12D2_oP40_55_bgh_c_3g3h_g:Ga-Na-O-Ti,40.0,"Invalid WP multiplicities - A5BC12D2_oP40_55_2b2g2h_c_11g10h_g:Ga-Na-O-Ti, expected NaTi2(Ga5O21)2 to be NaTi2Ga5O12" +mp-1220762,Pr5Ti4GaO17,-8.8664168752,-3.5846279509,0.0153028068,0.0153028068,GGA,Pc,AB17C5D4_mP108_7_2a_34a_10a_8a:Ga-O-Pr-Ti,108.0,"Invalid WP multiplicities - AB17C5D4_mP108_7_2a_51a_15a_11a:Ga-O-Pr-Ti, expected Pr15Ti11Ga2O51 to be Pr5Ti4GaO17" +mp-1043895,CaLaCrFeO6,-8.211990715,-2.7375099217,0.0275427394,0.0275427394,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-Fe-La-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Ca-Cr-Fe-La-O, expected CaLaCrFeO10 to be CaLaCrFeO6" +mp-1521297,EuTiNbSnO6,-9.082187306,-2.8878370081,0.1310659205,0.1310659205,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sn-Ti +mp-1042502,CaTi2CoO7,-8.1406780852,-2.7287032955,0.1455860952,0.1455860952,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Co-O-Ti,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_3e_2e_17e_7e:Ca-Co-O-Ti, expected Ca3Ti7Co2O17 to be CaTi2CoO7" +mp-694955,NaLi2La3Ti6O18,-8.650405564,-3.4383475225,0.0487566481,0.0487566481,GGA,C2,A3B2CD18E6_mC60_5_a2b_c_a_3a3b6c_3c:La-Li-Na-O-Ti,30.0,"Invalid WP multiplicities - A3B2CD18E6_mC60_5_a2b_c_a_3a3b12c_6c:La-Li-Na-O-Ti, expected NaLi2La3Ti12O30 to be NaLi2La3Ti6O18" +mp-676447,Na2LiLa3Ti6O18,-8.6360103557,-3.4434989,0.0254977095,0.0254977095,GGA,P1,A3BC2D18E6_aP30_1_3a_a_2a_18a_6a:La-Li-Na-O-Ti,30.0,A3BC2D18E6_aP30_1_3a_a_2a_18a_6a:La-Li-Na-O-Ti +mp-677430,NaLiLa2Ti4O12,-8.6497075875,-3.4474228389,0.0308529922,0.0308529922,GGA,P1,A2BCD12E4_aP20_1_2a_a_a_12a_4a:La-Li-Na-O-Ti,20.0,A2BCD12E4_aP20_1_2a_a_a_12a_4a:La-Li-Na-O-Ti +mp-40286,NaLiLa2Ti4O12,-8.6428569495,-3.4405722009,0.0377036302,0.0377036302,GGA,P4/mmm,A2BCD12E4_tP20_123_e_a_d_kln_j:La-Li-Na-O-Ti,20.0,"Invalid WP multiplicities - A2BCD12E4_tP20_123_e_a_d_k2l2n_j:La-Li-Na-O-Ti, expected NaLiLa2Ti4O20 to be NaLiLa2Ti4O12" +mp-28304,Ca3(AlAs2)2,-4.4058385278,-0.8342357589,0.1179541317,0.1009307575,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-As-Ca,18.0,"Invalid WP multiplicities - A2B4C3_mC36_15_f_2f_2e2f:Al-As-Ca, expected Ca3AlAs2 to be Ca3(AlAs2)2" +mp-1205338,Ca3(AlAs2)2,-4.5237926594,-0.9521898906,0.0,-0.0170233742,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-As-Ca,18.0,A2B4C3_mC36_15_f_2f_ef:Al-As-Ca +mp-4120,CaCuAs,-4.3996303283,-0.8116553433,0.0,-0.085535105,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:As-Ca-Cu,6.0,ABC_hP6_194_c_a_d:As-Ca-Cu +mp-10876,Ca3Al7Cu2,-3.7001546667,-0.3306343508,0.0,-0.0282130691,GGA,R-3m,A7B3C2_hR36_166_ah_bc_c:Al-Ca-Cu,12.0,A7B3C2_hR36_166_ah_bc_c:Al-Ca-Cu +mp-1183490,Ca(CuAs)2,-4.38591432,-0.481464314,0.005528892,0.005528892,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Cu,5.0,A2BC2_tI10_139_e_a_d:As-Ca-Cu +mp-685317,Ca5Cu19As10,-4.3085681101,-0.3525648696,0.0055183701,0.0055183701,GGA,P-1,A10B5C19_aP68_2_10i_5i_19i:As-Ca-Cu,68.0,"Invalid WP multiplicities - A10B5C19_aP68_2_19i_10i_38i:As-Ca-Cu, expected Ca10(Cu2As)19 to be Ca5Cu19As10" +mp-555937,Ca3Cu3(AsO4)4,-6.4948225396,-2.0295182069,0.0233734373,0.0233734373,GGA,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Cu-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Cu-O, expected Ca3Cu3(As5O29)2 to be Ca3Cu3(AsO4)4" +mp-1182967,AlCu2AsO12,-5.5258480947,-0.7781373378,0.3995861886,0.3995861886,GGA,C2/c,ABC2D12_mC64_15_c_e_f_6f:Al-As-Cu-O,32.0,ABC2D12_mC64_15_c_e_f_6f:Al-As-Cu-O +mp-1200620,AlCu2AsO12,-5.4866200322,-0.7389092753000001,0.4388142511,0.4388142511,GGA,C2/c,ABC2D12_mC64_15_c_e_f_6f:Al-As-Cu-O,,ABC2D12_mC64_15_a_e_f_6f:Al-As-Cu-O +mp-1199353,Ca2AlCuAs3O19,-5.8583882879,-1.2499104806,0.4786958205,0.4786958205,GGA,P-1,AB3C2DE19_aP52_2_ae_3i_2i_i_19i:Al-As-Ca-Cu-O,52.0,AB3C2DE19_aP52_2_ae_3i_2i_i_19i:Al-As-Ca-Cu-O +mp-1354988,CaCu2(As2O7)2,-6.2729684576,-1.6018194673,0.0820988276,0.0820988276,GGA,P2_1,A4BC2D14_mP42_4_4a_a_2a_14a:As-Ca-Cu-O,42.0,A4BC2D14_mP42_4_4a_a_2a_14a:As-Ca-Cu-O +mp-1351940,Ca3Cu6(AsO4)8,-6.2091179716,-1.5932194888,0.1218966086,0.1218966086,GGA,P1,A8B3C6D32_aP49_1_8a_3a_6a_32a:As-Ca-Cu-O,49.0,A8B3C6D32_aP49_1_8a_3a_6a_32a:As-Ca-Cu-O +mp-1215019,Ca10Al2Cu19,-3.5499395705,-0.1489048225,0.0057254591,0.0057254591,GGA,P6/mmm,A2B10C19_hP93_191_l_ehjmo_gl2noq:Al-Ca-Cu,93.0,A2B10C19_hP93_191_l_ehjmo_gl2noq:Al-Ca-Cu +mp-560271,AlCuAsO5,-6.6956514375000005,-2.0409833798,0.029138705,0.029138705,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Al-As-Cu-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_17e:Al-As-Cu-O, expected AlCuAsO17 to be AlCuAsO5" +mp-1264781,Ca2AlCuO5,-6.7544010917,-2.6889093343,0.0639436022,0.0639436022,GGA,Ima2,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Cu-O,18.0,AB2CD5_oI36_46_b_c_a_b2c:Al-Ca-Cu-O +mp-1197546,CaCuAsO5,-6.3711054191,-1.9339343552,0.0694226438,0.0694226438,GGA,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Cu-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Cu-O +mp-6203,CaCuAs2O7,-6.4970602932,-1.947072626,0.049635235,0.049635235,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Cu-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Cu-O +mp-10877,Ca(Al2Cu)4,-3.9870767308,-0.2665357154,0.0,-0.0360851839,GGA,I4/mmm,A8BC4_tI26_139_ij_a_f:Al-Ca-Cu,13.0,A8BC4_tI26_139_ij_a_f:Al-Ca-Cu +mp-28006,Ca(Cu2As)2,-4.3056905657,-0.3455957986,0.0022564914,0.0022564914,GGA,R-3m,A2BC4_hR21_166_c_a_2c:As-Ca-Cu,7.0,"Invalid WP multiplicities - A2BC4_hR21_166_c_a_4c:As-Ca-Cu, expected Ca(Cu4As)2 to be Ca(Cu2As)2" +mp-17186,Ca3AlAs3,-4.4551350011,-1.0637449032,0.0,-0.0408697053,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:Al-As-Ca,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_3c_5c:Al-As-Ca, expected Ca5AlAs3 to be Ca3AlAs3" +mp-757843,Li4Co3Ni3(SbO8)2,-6.4116595532,-1.6364425264,0.0271947378,0.0271947378,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-Sb, expected Li4Co3Ni3(SbO10)2 to be Li4Co3Ni3(SbO8)2" +mp-757795,Li4Co3Ni2Sb3O16,-6.4485819039,-1.7323339999,0.0865186437,0.0865186437,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Co-Li-Ni-O-Sb, expected Li4Co3Ni2Sb3O20 to be Li4Co3Ni2Sb3O16" +mp-40189,BaLiLaTeO6,-6.825911813,-2.6671775057,0.0299474737,0.0299474737,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Li-O-Te,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Li-O-Te +mp-559703,BaLa2Te5O14,-6.7199832741000005,-2.3217487025,0.0,-0.0042553704,GGA,C2/c,AB2C14D5_mC88_15_c_f_7f_e2f:Ba-La-O-Te,44.0,"Invalid WP multiplicities - AB2C14D5_mC88_15_a_f_25f_e4f:Ba-La-O-Te, expected BaLa2Te9O50 to be BaLa2Te5O14" +mp-1228258,Ba5Li2(TeO5)3,-6.3237438542,-2.4420251029,0.0,-0.0626430866,GGA,I4/m,A5B2C15D3_tI100_87_di_h_e5hi_abh:Ba-Li-O-Te,50.0,"Invalid WP multiplicities - A5B2C15D3_tI100_87_2d2i_h_2e20h4i_ab2h:Ba-Li-O-Te, expected Ba10Li2Te5O58 to be Ba5Li2(TeO5)3" +mp-1214633,Ba2LiTeO6,-6.240622338,-2.3835912473,0.0,-0.0159281829,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Te,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Li-O-Te +mp-1516784,Sr2CeBiO6,-7.2045247115,-2.9212549656,0.0270683055,0.0270683055,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Ce-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Ce-O-Sr +mp-1516913,Sr2CeBiO6,-7.1639987765,-2.8807290306,0.0675942405,0.0675942405,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Ce-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Ce-O-Sr +mp-1516786,Sr2CeBiO6,-7.057438695,-2.7741689491,0.174154322,0.174154322,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Ce-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Ce-O-Sr +mp-1519230,NaSrCeBiO6,-6.837343159,-2.5907702291,0.0405143717,0.0405143717,GGA,Pnnn,ABCD6E_oP40_48_e_f_ab_3m_cd:Bi-Ce-Na-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_f_ab_6m_2c2d:Bi-Ce-Na-O-Sr, expected NaSr2CeBiO12 to be NaSrCeBiO6" +mp-1519314,NaSrCeBiO6,-6.778466271,-2.5318933411,0.0993912597,0.0993912597,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ce-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ce-Na-O-Sr +mp-2228088,RbMgRuO3,-6.1164219283,-1.667208129,0.351484746,0.351484746,GGA,Cm,AB3CD_mC12_8_a_ab_a_a:Mg-O-Rb-Ru,6.0,"Invalid WP multiplicities - AB3CD_mC12_8_a_a2b_a_a:Mg-O-Rb-Ru, expected RbMgRuO5 to be RbMgRuO3" +mp-2228082,RbMgRuO3,-5.631615275,-1.1824014756,0.8362913994000001,0.8362913994000001,GGA,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Mg-O-Rb-Ru,6.0,"Invalid WP multiplicities - AB3CD_tP6_123_b_c2e_a_d:Mg-O-Rb-Ru, expected RbMgRuO5 to be RbMgRuO3" +mp-2232389,Rb3NaMg(RuO4)2,-5.9768446093000005,-1.7110631206,0.138959759,0.138959759,GGA,C2/m,ABC8D3E2_mC30_12_b_a_2ij_ci_i:Mg-Na-O-Rb-Ru,15.0,"Invalid WP multiplicities - ABC8D3E2_mC30_12_a_b_3i2j_c2i_i:Mg-Na-O-Rb-Ru, expected Rb5NaMg(RuO7)2 to be Rb3NaMg(RuO4)2" +mp-2232188,Rb3NaMg(RuO4)2,-5.8794427613,-1.6136612726,0.236361607,0.236361607,GGA,P3m1,ABC8D3E2_hP15_156_a_a_bc2d_abc_bc:Mg-Na-O-Rb-Ru,15.0,ABC8D3E2_hP15_156_a_a_bc2d_abc_bc:Mg-Na-O-Rb-Ru +mp-12046,Rb3Na(RuO4)2,-6.1638074421,-1.7076329935,0.0,-0.0014923419,GGA,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Na-O-Rb-Ru,14.0,"Invalid WP multiplicities - AB8C3D2_hP14_164_a_di_b2d_d:Na-O-Rb-Ru, expected Rb5Na(RuO4)2 to be Rb3Na(RuO4)2" +mp-975208,RbRuO3,-6.45818619,-1.4391856408,0.1991827178,0.1991827178,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Rb-Ru,5.0,A3BC_cP5_221_c_a_b:O-Rb-Ru +mp-542697,Rb2RuO4,-6.1471969761,-1.7154504718,0.0,-0.3349950975,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:O-Rb-Ru,28.0,A4B2C_oP28_62_2cd_2c_c:O-Rb-Ru +mp-2228264,NaMgRuO3,-6.174439945,-1.6682276088,0.3587671073,0.3587671073,GGA,Cm,ABC3D_mC12_8_a_a_ab_a:Mg-Na-O-Ru,6.0,ABC3D_mC12_8_a_a_ab_a:Mg-Na-O-Ru +mp-2228257,NaMgRuO3,-5.927142275,-1.4209299388,0.6060647773,0.6060647773,GGA,P4mm,ABC3D_tP6_99_a_a_bc_b:Mg-Na-O-Ru,6.0,ABC3D_tP6_99_a_a_bc_b:Mg-Na-O-Ru +mp-1209548,Rb(RuO2)4,-7.4504379092,-1.4772337613,0.0,-0.0056439538,GGA,I4/m,A8BC4_tI26_87_2h_a_h:O-Rb-Ru,13.0,A8BC4_tI26_87_2h_a_h:O-Rb-Ru +mp-558504,BaZnTeCl2O3,-5.2385428739,-2.1311473868,0.0032897592,0.0032897592,GGA,Pnma,AB2C3DE_oP64_62_2c_4c_2c2d_2c_2c:Ba-Cl-O-Te-Zn,64.0,"Invalid WP multiplicities - AB2C3DE_oP64_62_6c_16c_6c10d_5c_7c:Ba-Cl-O-Te-Zn, expected Ba6Zn7Te5(Cl8O13)2 to be BaZnTeCl2O3" +mp-1517942,SrEuZnBiO6,-6.802415559,-2.1297295329,0.165588191,0.165588191,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Eu-O-Sr-Zn,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Eu-O-Sr-Zn +mp-1520538,SrEuGaBiO6,-7.202914337,-2.3533930697,0.1597717401,0.1597717401,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Ga-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Ga-O-Sr +mp-1813181,Ba2Mg3Tl2(NiO3)4,-5.8017375313,-1.6345685062,0.3597052595,0.3597052595,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Mg-Ni-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Mg-Ni-O-Tl, expected Ba2Mg3Tl2(Ni3O16)2 to be Ba2Mg3Tl2(NiO3)4" +mp-1046522,Ba2Mg2Tl2Ni3O10,-5.9300136132,-1.7946929065,0.1681280525,0.1681280525,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Mg-Ni-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Mg-Ni-O-Tl +mp-1233036,MgTl4(NiO3)4,-5.5318753081,-1.0779865513,0.2055544374,0.2055544374,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl +mp-1233531,MgTl4(NiO3)4,-5.5269107386,-1.0730219818,0.2105190069,0.2105190069,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl +mp-1233758,MgTl4(NiO3)4,-5.5312042481,-1.0773154913,0.2062254974,0.2062254974,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl +mp-2216107,MgTl4(NiO3)4,-5.5538758162,-1.0999870594,0.1835539293,0.1835539293,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Mg-Ni-O-Tl +mp-1076880,La7SmCo5Cu3O20,-7.5295980347,-2.3617197269,0.3075012753,0.3075012753,GGA+U,P1,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:Co-Cu-La-O-Sm,144.0,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:Co-Cu-La-O-Sm +mp-13486,LaCoCu12,-4.4413097268,-0.0673950882,0.0010392846,0.0010392846,GGA,Fm-3c,AB12C_cF112_226_b_i_a:Co-Cu-La,28.0,AB12C_cF112_226_b_i_a:Co-Cu-La +mp-1223344,La3Co2CuO9,-7.6831506297,-2.5068798312,0.0384660937,0.0384660937,GGA+U,P-3c1,A2BC3D9_hP30_165_d_b_ad_fg:Co-Cu-La-O,30.0,"Invalid WP multiplicities - A2BC3D9_hP30_165_d_b_2a3d_6f6g:Co-Cu-La-O, expected La8Co2CuO54 to be La3Co2CuO9" +mp-1075961,La7SmCo5(CuO8)3,-7.6090615188,-2.4633021706,0.0730290208,0.0730290208,GGA+U,Cm,A5B3C7D24E_mC80_8_3ab_ab_3a2b_4a10b_a:Co-Cu-La-O-Sm,40.0,"Invalid WP multiplicities - A5B3C7D24E_mC80_8_3ab_ab_3a4b_4a20b_a:Co-Cu-La-O-Sm, expected La11SmCo5Cu3O44 to be La7SmCo5(CuO8)3" +mp-1076171,La5Sm3Co7CuO24,-7.7593161248,-2.4739722689,0.0995240326,0.0995240326,GGA+U,Cm,A7BC5D24E3_mC80_8_3a2b_a_3ab_4a10b_ab:Co-Cu-La-O-Sm,40.0,"Invalid WP multiplicities - A7BC5D24E3_mC80_8_3a4b_a_3a2b_4a20b_a2b:Co-Cu-La-O-Sm, expected La7Sm5Co11CuO44 to be La5Sm3Co7CuO24" +mp-1076219,La4Sm4Co7CuO24,-7.7339483243,-2.4540399926,0.1154025984,0.1154025984,GGA+U,Cm,A7BC4D24E4_mC80_8_3a2b_a_2ab_4a10b_2ab:Co-Cu-La-O-Sm,40.0,"Invalid WP multiplicities - A7BC4D24E4_mC80_8_3a4b_a_2a2b_4a20b_2a2b:Co-Cu-La-O-Sm, expected La6Sm6Co11CuO44 to be La4Sm4Co7CuO24" +mp-1076874,La5Sm3Co7CuO20,-7.6615224788,-2.3385502735,0.3648287874,0.3648287874,GGA+U,P1,A7BC5D20E3_aP144_1_28a_4a_20a_80a_12a:Co-Cu-La-O-Sm,144.0,A7BC5D20E3_aP144_1_28a_4a_20a_80a_12a:Co-Cu-La-O-Sm +mp-1076483,La4Sm4Co7CuO20,-7.9125665369,-2.595633803,0.1068986865,0.1068986865,GGA+U,P1,A7BC4D20E4_aP144_1_28a_4a_16a_80a_16a:Co-Cu-La-O-Sm,144.0,A7BC4D20E4_aP144_1_28a_4a_16a_80a_16a:Co-Cu-La-O-Sm +mp-1076871,La7SmCo6(CuO10)2,-7.5668908986,-2.3154261707,0.3717204324,0.3717204324,GGA+U,P1,A6B2C7D20E_aP144_1_24a_8a_28a_80a_4a:Co-Cu-La-O-Sm,144.0,A6B2C7D20E_aP144_1_24a_8a_28a_80a_4a:Co-Cu-La-O-Sm +mp-1076076,La7SmCo6(CuO12)2,-7.7076210647,-2.4866339385,0.0723335183,0.0723335183,GGA+U,Cmm2,A6B2C7D24E_oC80_35_d2e_d_a2b2c_2d2e4f_a:Co-Cu-La-O-Sm,40.0,"Invalid WP multiplicities - A6B2C7D24E_oC80_35_2d4e_d_a2b4c_4d4e12f_a:Co-Cu-La-O-Sm, expected La11SmCo12(CuO32)2 to be La7SmCo6(CuO12)2" +mp-1228797,Ba12MnRu5(ClO6)4,-6.9219453048,-2.4724582834,0.0398037396,0.0398037396,GGA+U,P-3m1,A12B4CD24E5_hP46_164_6d_2d_a_4i_b2c:Ba-Cl-Mn-O-Ru,46.0,"Invalid WP multiplicities - A12B4CD24E5_hP46_164_9d_3d_a_22i_b3c:Ba-Cl-Mn-O-Ru, expected Ba18MnRu7(ClO22)6 to be Ba12MnRu5(ClO6)4" +mp-1197646,Ba6Te10Br2O25,-6.0604412416,-2.1134602412,0.0,-0.005153504,GGA,Aea2,A6B2C25D10_oC344_41_2a5b_2ab_25b_10b:Ba-Br-O-Te,172.0,A6B2C25D10_oC344_41_2a5b_2ab_25b_10b:Ba-Br-O-Te +mp-1198919,Ba3Te3(BrO4)2,-5.9148795898,-2.2982290367,0.0,-0.0273900604,GGA,Pnma,A3B2C8D3_oP64_62_3c_2c_2c3d_3c:Ba-Br-O-Te,64.0,A3B2C8D3_oP64_62_3c_2c_2c3d_3c:Ba-Br-O-Te +mp-1199575,Ba2Cu2Te4Br2O11,-5.701931554,-1.7910163504,0.0,-0.011935121,GGA,P-1,A2B2C2D11E4_aP42_2_2i_2i_2i_11i_4i:Ba-Br-Cu-O-Te,42.0,A2B2C2D11E4_aP42_2_2i_2i_2i_11i_4i:Ba-Br-Cu-O-Te +mp-1516960,SmEuFeSnO6,-8.255084292,-2.5415529652,0.2030534565,0.2030534565,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sm-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sm-Sn +mp-1219415,Sm4FeSn8,-5.1070055785,-0.5361639946,0.0269575792,0.0269575792,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Sm-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Sm-Sn +mp-1196326,Sm6Fe13Sn,-7.231943387,-0.1103751672,0.0,-0.0159745622,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Sm-Sn,40.0,A13B6C_tI80_140_dk2l_fl_a:Fe-Sm-Sn +mp-22720,RbSr2Nb3O10,-8.4076798062,-3.1495346055,0.0078316269,0.0078316269,GGA,P4/mmm,A3B10CD2_tP16_123_bg_e2gi_c_h:Nb-O-Rb-Sr,16.0,A3B10CD2_tP16_123_bg_e2gi_c_h:Nb-O-Rb-Sr +mp-1026640,RbSrMg14,-1.4170315169,0.1500902472,0.1848071823,0.1848071823,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Sr, expected RbSrMg18 to be RbSrMg14" +mp-1026650,RbSrMg14,-1.42370007,0.1434216941,0.1781386292,0.1781386292,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Sr, expected RbSrMg26 to be RbSrMg14" +mp-2229307,RbSr2MgNb3O10,-7.99520217,-2.9522255075,0.1182981185,0.1182981185,GGA,Pmm2,AB3C10DE2_oP17_25_a_3b_3a4b3d_c_2c:Mg-Nb-O-Rb-Sr,17.0,AB3C10DE2_oP17_25_a_3b_3a4b3d_c_2c:Mg-Nb-O-Rb-Sr +mp-2229796,RbSr2MgNb3O10,-7.9327888659,-2.8898122034,0.1807114226,0.1807114226,GGA,P4mm,AB3C10DE2_tP17_99_a_3b_4b3c_a_2a:Mg-Nb-O-Rb-Sr,17.0,AB3C10DE2_tP17_99_a_3b_4b3c_a_2a:Mg-Nb-O-Rb-Sr +mp-2229504,RbSr2MgNb3O10,-7.8396989829,-2.7967223205,0.2738013056,0.2738013056,GGA,P4/mmm,AB3C10DE2_tP17_123_a_ch_f2hi_b_g:Mg-Nb-O-Rb-Sr,17.0,AB3C10DE2_tP17_123_a_ch_f2hi_b_g:Mg-Nb-O-Rb-Sr +mp-1017179,RbSrMg6,-1.3100434938,0.2239199845,0.2721548415,0.2721548415,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Rb-Sr, expected RbSrMg12 to be RbSrMg6" +mp-1017292,RbSrMg6,-1.3342440856,0.1997193926,0.2479542497,0.2479542497,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Rb-Sr, expected RbSrMg12 to be RbSrMg6" +mp-1522650,SrCaZrSnO6,-7.658411135,-3.0651613264,0.1065670658,0.1065670658,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sn-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sn-Sr-Zr +mp-1103895,Sr3Sc2Fe2As2O5,-7.201464245,-2.2925255767,0.2074292145,0.2074292145,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_e_d_ag_e_be:As-Fe-O-Sc-Sr,14.0,A2B2C5D2E3_tI28_139_e_d_ag_e_be:As-Fe-O-Sc-Sr +mp-1105960,Sr2ScFeAsO3,-7.1832992831,-2.4732165631000003,0.0989597533,0.0989597533,GGA+U,P4/nmm,ABC3DE2_tP16_129_c_a_cf_c_2c:As-Fe-O-Sc-Sr,16.0,ABC3DE2_tP16_129_c_a_cf_c_2c:As-Fe-O-Sc-Sr +mp-1520904,NaSrNbSnO6,-7.390083356,-2.7097805651,0.0444415471,0.0444415471,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Sn-Sr +mp-1522588,BaEuCrBiO6,-7.887767749,-2.3528031882,0.171335352,0.171335352,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Cr-Eu-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Cr-Eu-O +mp-1516793,BaCaNdMnO6,-7.415455628,-2.6619686468,0.2003474881,0.2003474881,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Mn-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Mn-Nd-O +mp-1517966,BaCaNdMnO6,-7.41567741,-2.6621904288,0.2001257061,0.2001257061,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Mn-Nd-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Mn-Nd-O +mp-1228686,Ba2Fe8Ni3(SbO11)2,-7.3842477592,-1.8160400909,0.0639699557,0.0639699557,GGA+U,P-3m1,A2B8C3D22E2_hP37_164_d_di_ac_cd3i_d:Ba-Fe-Ni-O-Sb,37.0,A2B8C3D22E2_hP37_164_d_di_ac_cd3i_d:Ba-Fe-Ni-O-Sb +mp-1213269,EuFeGe2O7,-7.9626847025,-2.2717847299,0.0,-0.0043748766,GGA+U,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Eu-Fe-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Eu-Fe-Ge-O +mp-1517402,NaSrMnBiO6,-6.446402316,-1.8769367724,0.1707666763,0.1707666763,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Mn-Na-O-Sr +mp-1048072,BaTi2TlO6,-7.60103781,-2.6257643712,0.4073630711,0.4073630711,GGA,P1,AB6C2D_aP20_1_2a_12a_4a_2a:Ba-O-Ti-Tl,20.0,AB6C2D_aP20_1_2a_12a_4a_2a:Ba-O-Ti-Tl +mp-1046030,Ba2Ti2TlO7,-7.3102292383,-2.5920294018,0.4867304751,0.4867304751,GGA,P4/mmm,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Ti-Tl,12.0,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Ti-Tl +mp-1047851,Ba2Ti4Tl2Zn3O12,-6.7638621343,-2.2732230211,0.4960218184,0.4960218184,GGA,I4/mmm,A2B12C4D2E3_tI46_139_e_2e2g_2e_e_ae:Ba-O-Ti-Tl-Zn,23.0,"Invalid WP multiplicities - A2B12C4D2E3_tI46_139_e_4e6g_3e_e_ae:Ba-O-Ti-Tl-Zn, expected Ba2Ti6Tl2Zn3O32 to be Ba2Ti4Tl2Zn3O12" +mp-1046312,Ba2Ti3Tl2O10,-7.5749458641,-2.7680870797,0.1651073633,0.1651073633,GGA,P1,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Ti-Tl,17.0,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Ti-Tl +mp-1046922,BaTi4ZnO8,-8.2370566443,-2.9274711938,0.2827536295,0.2827536295,GGA,P-31m,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Ti-Zn,14.0,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Ti-Zn +mp-1046267,Ba2Ti3Tl2Zn2O10,-6.7952544079,-2.3617761681,0.4221389894,0.4221389894,GGA,P1,A2B10C3D2E2_aP19_1_2a_10a_3a_2a_2a:Ba-O-Ti-Tl-Zn,19.0,A2B10C3D2E2_aP19_1_2a_10a_3a_2a_2a:Ba-O-Ti-Tl-Zn +mp-1340471,AlMo3Se2ClO8,-7.056464245,-1.4100378806,0.531944437,0.531944437,GGA+U,P1,ABC3D8E2_aP30_1_2a_2a_6a_16a_4a:Al-Cl-Mo-O-Se,30.0,ABC3D8E2_aP30_1_2a_2a_6a_16a_4a:Al-Cl-Mo-O-Se +mp-1266944,AlMo3Se2ClO8,-7.0831843867,-1.4367580223,0.5052242954,0.5052242954,GGA+U,P1,ABC3D8E2_aP30_1_2a_2a_6a_16a_4a:Al-Cl-Mo-O-Se,30.0,ABC3D8E2_aP30_1_2a_2a_6a_16a_4a:Al-Cl-Mo-O-Se +mp-1247901,Al3(MoSe2)4,-3.7792696453,1.7265050048,2.6494898925,2.6494898925,GGA,Pmn2_1,A3B4C8_oP30_31_3a_4a_8a:Al-Mo-Se,30.0,"Invalid WP multiplicities - A3B4C8_oP30_31_4a_7a_16a:Al-Mo-Se, expected Al4Mo7Se16 to be Al3(MoSe2)4" +mp-720199,Ca6La14Mg7Ti13O60,-8.5396603352,-3.6218365553,0.0317100195,0.0317100195,GGA,P1,A6B14C7D60E13_aP100_1_6a_14a_7a_60a_13a:Ca-La-Mg-O-Ti,100.0,A6B14C7D60E13_aP100_1_6a_14a_7a_60a_13a:Ca-La-Mg-O-Ti +mp-1023257,CaMg6Ti,-2.2956544131,0.1421921115,0.1943170443,0.1943170443,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Ti, expected CaMg12Ti to be CaMg6Ti" +mp-1023301,CaMg6Ti,-2.2988586,0.1389879246,0.1911128574,0.1911128574,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Ti, expected CaMg12Ti to be CaMg6Ti" +mp-1227473,Ca2La2MgTi3O12,-8.5349562405,-3.6084445102,0.0174746241,0.0174746241,GGA,P1,A2B2CD12E3_aP20_1_2a_2a_a_12a_3a:Ca-La-Mg-O-Ti,20.0,A2B2CD12E3_aP20_1_2a_2a_a_12a_3a:Ca-La-Mg-O-Ti +mp-676461,Ca2La2MgTi3O12,-8.524883276,-3.5983715457,0.0275475886,0.0275475886,GGA,P2_1/c,A2B2CD12E3_mP40_14_e_e_a_6e_be:Ca-La-Mg-O-Ti,40.0,"Invalid WP multiplicities - A2B2CD12E3_mP40_14_e_e_a_24e_2b2e:Ca-La-Mg-O-Ti, expected Ca2La2MgTi6O48 to be Ca2La2MgTi3O12" +mp-695254,Ca10La6Mg3Ti13O48,-8.5269665314,-3.5950248322,0.013627152,0.013627152,GGA,P1,A10B6C3D48E13_aP80_1_10a_6a_3a_48a_13a:Ca-La-Mg-O-Ti,80.0,A10B6C3D48E13_aP80_1_10a_6a_3a_48a_13a:Ca-La-Mg-O-Ti +mp-1032960,CaMg6TiO8,-6.5902201287,-2.8979525108,0.1694837094,0.1694837094,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Ti, expected CaMg6TiO12 to be CaMg6TiO8" +mp-1032964,CaMg6TiO8,-6.6137832838,-2.9215156658,0.1459205544,0.1459205544,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Ti, expected CaMg6TiO12 to be CaMg6TiO8" +mp-695227,Ca14La6Mg3Ti17O60,-8.5229049106,-3.58770523,0.010586464,0.010586464,GGA,P1,A14B6C3D60E17_aP100_1_14a_6a_3a_60a_17a:Ca-La-Mg-O-Ti,100.0,A14B6C3D60E17_aP100_1_14a_6a_3a_60a_17a:Ca-La-Mg-O-Ti +mp-1036383,CaMg14TiO16,-6.4574748781,-2.9745988789,0.0861393809,0.0861393809,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Ti, expected CaMg18TiO20 to be CaMg14TiO16" +mp-1036369,CaMg14TiO16,-6.4600469522,-2.9771709529,0.0835673069,0.0835673069,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Ti, expected CaMg30TiO32 to be CaMg14TiO16" +mp-1028175,CaMg14Ti,-1.9508370744,0.0682262129,0.1066128265,0.1066128265,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Ti, expected CaMg18Ti to be CaMg14Ti" +mp-1028170,CaMg14Ti,-1.9539572325,0.0651060548,0.1034926684,0.1034926684,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Ti, expected CaMg26Ti to be CaMg14Ti" +mp-1037796,CaMg30TiO32,-6.3917157622000005,-3.0135355722,0.0438537073,0.0438537073,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Ti, expected CaMg90TiO80 to be CaMg30TiO32" +mp-1037872,CaMg30TiO32,-6.3924124069,-3.0142322169,0.0431570627,0.0431570627,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Ti, expected CaMg110TiO72 to be CaMg30TiO32" +mp-974729,Nd(Al2Cu)4,-4.2478033723,-0.314758699,0.0,-0.0183150288,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Nd,13.0,"Invalid WP multiplicities - A8B4C_tI26_139_i2j_f_a:Al-Cu-Nd, expected Nd(Al3Cu)4 to be Nd(Al2Cu)4" +mp-1220197,NdAlCu4,-4.3739723783,-0.2222140546,0.0180201724,0.0180201724,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Nd,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Nd +mp-674897,SrNd3AlCuO8,-7.6128516261,-3.0834067732,0.1771996625,0.1771996625,GGA,P1,ABC3D8E_aP28_1_2a_2a_6a_16a_2a:Al-Cu-Nd-O-Sr,28.0,ABC3D8E_aP28_1_2a_2a_6a_16a_2a:Al-Cu-Nd-O-Sr +mp-1218168,SrNd3AlCuO8,-7.7023270864,-3.1728822335,0.0877242021,0.0877242021,GGA,Amm2,ABC3D8E_oC28_38_a_b_a2b_2a2bf_a:Al-Cu-Nd-O-Sr,14.0,ABC3D8E_oC28_38_a_b_a2b_2a2bf_a:Al-Cu-Nd-O-Sr +mp-1080560,NdAlCu,-4.5845082578,-0.3801982803,0.0,-0.0279958469,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Nd,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Nd +mp-1069375,NdAl3Cu,-4.492519206,-0.4717028875,0.0,-0.0740159661,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-Nd,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-Nd +mp-973410,NdAl2Cu9,-4.2921990421,-0.1961857819,0.0,-0.001948184,GGA,I4_1/amd,A2B9C_tI48_141_c_ai_b:Al-Cu-Nd,24.0,A2B9C_tI48_141_c_ai_b:Al-Cu-Nd +mp-1017129,Mg6BiSb,-2.2599939663,-0.0635976325,0.1527598333,0.1527598333,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Sb, expected Mg12BiSb to be Mg6BiSb" +mp-1017143,Mg6BiSb,-2.3063142506,-0.1099179169,0.1064395489,0.1064395489,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Sb, expected Mg12BiSb to be Mg6BiSb" +mp-2647001,Mg3BiSb,-2.878640086,-0.324573982,0.0068476721,0.0068476721,GGA,P3m1,AB3C_hP5_156_a_abc_b:Bi-Mg-Sb,5.0,AB3C_hP5_156_a_abc_b:Bi-Mg-Sb +mp-1374534,Mg2BiSbO6,-6.283987486,-2.1989692123,0.1507881587,0.1507881587,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Bi-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Bi-Mg-O-Sb, expected Mg2BiSbO16 to be Mg2BiSbO6" +mp-2239985,Ba2MgBiSbO6,-6.2353513173,-2.3182738111,0.2018031117,0.2018031117,GGA,C2/m,A2BCD6E_mC22_12_i_b_a_ij_c:Ba-Bi-Mg-O-Sb,11.0,A2BCD6E_mC22_12_i_a_b_ij_c:Ba-Bi-Mg-O-Sb +mp-2219211,MgBi2(SbO4)2,-6.15555719,-1.7622671531,0.2493800477,0.2493800477,GGA,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Bi-Mg-O-Sb,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Bi-Mg-O-Sb +mp-2219695,MgBi2(SbO4)2,-6.2643570008000005,-1.8710669638,0.1405802369,0.1405802369,GGA,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Bi-Mg-O-Sb,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Bi-Mg-O-Sb +mp-1043604,MgBiSbO5,-6.3465998862,-2.0586981392,0.1126834603,0.1126834603,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-Sb,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-Sb, expected MgBiSbO15 to be MgBiSbO5" +mp-1042392,MgBiSbO5,-6.3614596116,-2.0735578645,0.097823735,0.097823735,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-Sb,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-Sb, expected MgBiSbO31 to be MgBiSbO5" +mp-1026433,Mg14BiSb,-1.9423592338,-0.0440210419,0.0764496003,0.0764496003,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Sb, expected Mg18BiSb to be Mg14BiSb" +mp-1026422,Mg14BiSb,-1.9446120844,-0.0462738925,0.0741967497,0.0741967497,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Sb, expected Mg26BiSb to be Mg14BiSb" +mp-776289,Li4Mn2Cu3Sn3O16,-6.3629034425,-1.7402935494,0.0888337964,0.0888337964,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cu-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cu-Li-Mn-O-Sn, expected Li4Mn2Cu3Sn3O20 to be Li4Mn2Cu3Sn3O16" +mp-774653,Li4Mn3Cu2Sn3O16,-6.6456685814,-1.8422440947,0.1069409289,0.1069409289,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cu-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cu-Li-Mn-O-Sn, expected Li4Mn3Cu2Sn3O20 to be Li4Mn3Cu2Sn3O16" +mp-774670,Li4Mn3Cu3(SnO8)2,-6.5737904204,-1.7671646903,0.0380858957,0.0380858957,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Mn-O-Sn, expected Li4Mn3Cu3(SnO10)2 to be Li4Mn3Cu3(SnO8)2" +mp-560226,NaNd(Si3O7)2,-8.1895453925,-3.285171626,0.0,-0.0055305013,GGA,Ibam,ABC14D6_oI176_72_ad_f_2j6k_2j2k:Na-Nd-O-Si,88.0,"Invalid WP multiplicities - ABC14D6_oI176_72_2a2d_f_7j40k_7j15k:Na-Nd-O-Si, expected Na2NdSi37O87 to be NaNd(Si3O7)2" +mp-1193130,Na5Nd4Si4O17,-7.5405018023,-3.1578285887,0.0031826601,0.0031826601,GGA,I-4,A5B4C17D4_tI60_82_ag_g_b4g_g:Na-Nd-O-Si,30.0,A5B4C17D4_tI60_82_ag_g_b4g_g:Na-Nd-O-Si +mp-1221031,NaNd9(Si3O13)2,-8.5248621133,-3.6343462358,0.0,-0.0196707038,GGA,P3,AB9C26D6_hP42_143_a_a2b2d_2c8d_2d:Na-Nd-O-Si,42.0,AB9C26D6_hP42_143_a_a2b2d_2c8d_2d:Na-Nd-O-Si +mp-1198222,NaNd(Si2O5)3,-7.919923405,-3.0137098583,0.1286282188,0.1286282188,GGA,Cmm2,ABC15D6_oC92_35_d_d_c5de4f_2d2f:Na-Nd-O-Si,46.0,ABC15D6_oC92_35_d_d_c5de4f_2d2f:Na-Nd-O-Si +mp-13774,NaNdSiO4,-7.7630086019,-3.2911878018,0.0,-0.0113110192,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Na-Nd-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_3a_3a_14a_3a:Na-Nd-O-Si, expected Na3Nd3Si3O14 to be NaNdSiO4" +mp-1044733,CaPr(NiO3)2,-6.901722767,-2.0990316408,0.0192255595,0.0192255595,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Ni-O-Pr,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_4a4b_a:Ca-Ni-O-Pr, expected CaPr(NiO6)2 to be CaPr(NiO3)2" +mp-554266,Ba3SrIr2O9,-6.971881184,-2.3289821817,0.0,-0.0158789828,GGA,C2/c,A3B2C9D_mC60_15_ef_f_e4f_a:Ba-Ir-O-Sr,30.0,"Invalid WP multiplicities - A3B2C9D_mC60_15_ef_f_2e14f_c:Ba-Ir-O-Sr, expected Ba3Sr(IrO15)2 to be Ba3SrIr2O9" +mp-1229074,Ba2Sr(IrO3)3,-7.0694548842,-1.9652585992,0.074606931,0.074606931,GGA,P-6m2,A2B3C9D_hP60_187_g3i_3g3h_jk5n_adh:Ba-Ir-O-Sr,60.0,"Invalid WP multiplicities - A2B3C9D_hP60_187_g6i_5g6h_3j3k25n_ad2h:Ba-Ir-O-Sr, expected Ba7Sr3Ir11O84 to be Ba2Sr(IrO3)3" +mp-1228090,Ba3SrNd2(IrO6)2,-7.3855413155,-2.6845490138,0.0077653019,0.0077653019,GGA,P1,A3B2C2D12E_aP20_1_3a_2a_2a_12a_a:Ba-Ir-Nd-O-Sr,20.0,A3B2C2D12E_aP20_1_3a_2a_2a_12a_a:Ba-Ir-Nd-O-Sr +mp-9115,Ba2SrIrO6,-6.862316379,-2.4577154009,0.0,-0.0775499365,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Sr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Sr +mp-20041,Sr2EuCu3(PbO4)2,-6.5107729469,-1.9524971627,0.0278886974,0.0278886974,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Eu-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2ghi_h_g:Cu-Eu-O-Pb-Sr, expected Sr2EuCu3(PbO5)2 to be Sr2EuCu3(PbO4)2" +mp-1218129,SrNdMgRuO6,-7.4805687315,-2.7793231572,0.0,-0.0321038427,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Mg-Nd-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Mg-Nd-O-Ru-Sr +mp-1228206,Ba4PrSm(Cu3O7)2,-6.4274785812,-2.1573142109,0.0261744377,0.0261744377,GGA,Pmmm,A4B6C14DE_oP26_47_2i_3l_2j3k2l_a_b:Ba-Cu-O-Pr-Sm,26.0,"Invalid WP multiplicities - A4B6C14DE_oP26_47_4i_5l_4j5k4l_a_b:Ba-Cu-O-Pr-Sm, expected Ba8PrSm(Cu5O13)2 to be Ba4PrSm(Cu3O7)2" +mp-1517320,SrCaPrSbO6,-7.2361484845,-3.0076352249,0.0056237159,0.0056237159,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Ca-O-Pr-Sb-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Ca-O-Pr-Sb-Sr, expected SrCaPrSbO12 to be SrCaPrSbO6" +mp-1517195,SrCaPrSbO6,-7.168273218,-2.9397599584,0.0734989824,0.0734989824,GGA,P42_12,AB6CDE_tP20_90_a_2cg_c_c_b:Ca-O-Pr-Sb-Sr,20.0,AB6CDE_tP20_90_a_2cg_c_c_b:Ca-O-Pr-Sb-Sr +mp-1519381,SrCaPrSbO6,-7.101398831,-2.8728855714,0.1403733694,0.1403733694,GGA,F-43m,AB6CDE_cF40_216_a_f_c_b_d:Ca-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_a_f_c_b_d:Ca-O-Pr-Sb-Sr +mp-1517216,SrCaPrSbO6,-7.076543144,-2.8480298844,0.1652290564,0.1652290564,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ca-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ca-O-Pr-Sb-Sr +mp-1220395,Nd2NbGaO7,-8.4553586377,-3.2469480099,0.075837619,0.075837619,GGA,Imma,ABC2D7_oI44_74_a_c_bd_3ej:Ga-Nb-Nd-O,22.0,"Invalid WP multiplicities - ABC2D7_oI44_74_a_c_bd_5e2j:Ga-Nb-Nd-O, expected Nd2NbGaO13 to be Nd2NbGaO7" +mp-1521265,BaLiTbSbO6,-6.8052975503,-2.5781578088,0.184362482,0.184362482,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Li-O-Sb-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Li-O-Sb-Tb, expected BaLi2TbSbO12 to be BaLiTbSbO6" +mp-1521096,BaLiTbSbO6,-6.810123632,-2.5829838906,0.1795364002,0.1795364002,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Li-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Li-O-Sb-Tb +mp-1517593,BaSrSmMnO6,-7.487286245,-2.7703660362,0.0935379951,0.0935379951,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Mn-O-Sm-Sr,,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Mn-O-Sm-Sr, expected BaSrSmMnO12 to be BaSrSmMnO6" +mp-1517679,BaSrSmMnO6,-7.485310021,-2.7683898122,0.0955142191,0.0955142191,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Mn-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Mn-O-Sm-Sr +mp-1516248,NaCaDyMnO6,-7.013314988,-2.3356090307,0.212576857,0.212576857,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Dy-Mn-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Dy-Mn-Na-O +mp-1212342,Ho4MgCo,-4.6606306696,-0.1542584487,0.0,-0.0159027608,GGA,F-43m,AB4C_cF96_216_e_efg_e:Co-Ho-Mg,24.0,AB4C_cF96_216_e_efg_e:Co-Ho-Mg +mp-1041115,HoMg(CoO3)2,-7.1692671525,-2.1613214747,0.1406339615,0.1406339615,GGA+U,Pc,A2BCD6_mP20_7_2a_a_a_6a:Co-Ho-Mg-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_7_4a_a_a_12a:Co-Ho-Mg-O, expected HoMg(CoO3)4 to be HoMg(CoO3)2" +mp-2217714,BaHoMg(CoO3)2,-6.9410376764,-2.2139075202,0.3511557737,0.3511557737,GGA+U,Pmm2,AB2CDE6_oP11_25_a_2d_a_a_2b2c2d:Ba-Co-Ho-Mg-O,11.0,AB2CDE6_oP11_25_a_2d_a_a_2b2c2d:Ba-Co-Ho-Mg-O +mp-2217572,BaHoMg(CoO3)2,-6.8972608764,-2.1701307202,0.3949325737,0.3949325737,GGA+U,Pmm2,AB2CDE6_oP11_25_b_2c_b_a_2a2c2d:Ba-Co-Ho-Mg-O,11.0,AB2CDE6_oP11_25_b_2c_b_a_2a2c2d:Ba-Co-Ho-Mg-O +mp-2217370,BaHoMg(CoO3)2,-6.61086732,-1.8837371639,0.6813261301,0.6813261301,GGA+U,Pmmm,AB2CDE6_oP11_47_f_j_e_a_cdil:Ba-Co-Ho-Mg-O,11.0,"Invalid WP multiplicities - AB2CDE6_oP11_47_f_j_e_a_cd2i2l:Ba-Co-Ho-Mg-O, expected BaHoMg(CoO5)2 to be BaHoMg(CoO3)2" +mp-1667275,CaLaCrSbO6,-7.829103299,-2.7887245027,0.0938781802,0.0938781802,GGA+U,P1,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Cr-La-O-Sb,20.0,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Cr-La-O-Sb +mp-1048846,CaLaCrSbO6,-7.8207372425,-2.7803584462,0.1022442367,0.1022442367,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Ca-Cr-La-O-Sb, expected CaLaCrSbO12 to be CaLaCrSbO6" +mp-1517356,BaSrCaMnO6,-6.917737484,-2.4721159007,0.1005509213,0.1005509213,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Mn-O-Sr +mp-1173171,SrLaFeSnO6,-7.6103486803,-2.7318260912,0.0143729695,0.0143729695,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Fe-La-O-Sn-Sr,40.0,ABC6DE_mP20_7_a_a_6a_a_a:Fe-La-O-Sn-Sr +mp-1037024,Mg30CrNiO32,-6.4187129294,-2.954093798,0.0251203679,0.0251203679,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cr-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cr-Mg-Ni-O, expected Mg110CrNiO72 to be Mg30CrNiO32" +mp-1036879,Mg30CrNiO32,-6.4176608216,-2.9530416902,0.0261724757,0.0261724757,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cr-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cr-Mg-Ni-O, expected Mg90CrNiO80 to be Mg30CrNiO32" +mp-2218603,MgCr2(NiO4)2,-6.9371418977,-1.3955912792,0.4746565221,0.4746565221,GGA+U,P-1,A2BC2D8_aP13_2_i_e_ab_4i:Cr-Mg-Ni-O,13.0,"Invalid WP multiplicities - A2BC2D8_aP13_2_i_e_ab_6i:Cr-Mg-Ni-O, expected MgCr2(NiO6)2 to be MgCr2(NiO4)2" +mp-2218395,MgCr2(NiO4)2,-7.2274528992,-1.6859022808000002,0.1843455205,0.1843455205,GGA+U,Amm2,A2BC2D8_oC26_38_ab_a_c_2cde:Cr-Mg-Ni-O,13.0,"Invalid WP multiplicities - A2BC2D8_oC26_38_ab_a_c_3c2de:Cr-Mg-Ni-O, expected MgCr2(NiO6)2 to be MgCr2(NiO4)2" +mp-2218416,MgCr2(NiO4)2,-7.0315415654,-1.4899909469,0.3802568544,0.3802568544,GGA+U,Amm2,A2BC2D8_oC26_38_ab_a_c_2cde:Cr-Mg-Ni-O,13.0,"Invalid WP multiplicities - A2BC2D8_oC26_38_ab_a_c_3cd2e:Cr-Mg-Ni-O, expected MgCr2(NiO6)2 to be MgCr2(NiO4)2" +mp-1034790,Mg14CrNiO16,-6.4968025481,-2.8410486659,0.0633393664,0.0633393664,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cr-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cr-Mg-Ni-O, expected Mg18CrNiO20 to be Mg14CrNiO16" +mp-1034739,Mg14CrNiO16,-6.4960739003,-2.8403200181,0.0640680142,0.0640680142,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cr-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cr-Mg-Ni-O, expected Mg30CrNiO32 to be Mg14CrNiO16" +mp-1031616,Mg6CrNiO8,-6.6678240369,-2.6298006531,0.1249351122,0.1249351122,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cr-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cr-Mg-Ni-O, expected Mg6CrNiO12 to be Mg6CrNiO8" +mp-1031671,Mg6CrNiO8,-6.6693471244,-2.6313237406,0.1234120247,0.1234120247,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cr-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cr-Mg-Ni-O, expected Mg6CrNiO12 to be Mg6CrNiO8" +mp-1220253,Nd4Mn3NiO12,-8.454105633,-2.8691537919,0.0,-0.0163363728,GGA+U,P-1,A3B4CD12_aP20_2_abe_2i_h_6i:Mn-Nd-Ni-O,20.0,"Invalid WP multiplicities - A3B4CD12_aP20_2_abe_4i_h_12i:Mn-Nd-Ni-O, expected Nd8Mn3NiO24 to be Nd4Mn3NiO12" +mp-1220251,Nd4Mn(NiO4)3,-7.848239672,-2.6014756921,0.0,-0.0277377033,GGA+U,P-1,AB4C3D12_aP20_2_a_2i_beh_6i:Mn-Nd-Ni-O,20.0,"Invalid WP multiplicities - AB4C3D12_aP20_2_a_4i_beh_12i:Mn-Nd-Ni-O, expected Nd8Mn(NiO8)3 to be Nd4Mn(NiO4)3" +mp-1193759,Nd6Mn16Ni7,-7.3967941955,0.0398294606,0.1826743877,0.1826743877,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Mn-Nd-Ni,29.0,A16B6C7_cF116_225_2f_e_ad:Mn-Nd-Ni +mp-1222177,Nd18Mn49Ni20,-7.4322146055,0.0432812186,0.182581997,0.182581997,GGA,P-3m1,A49B18C20_hP87_164_a2c4d6i_3i_def2i:Mn-Nd-Ni,87.0,"Invalid WP multiplicities - A49B18C20_hP87_164_a4c8d36i_18i_d3e3f8i:Mn-Nd-Ni, expected Nd108Mn241Ni68 to be Nd18Mn49Ni20" +mp-2217890,Ba2MgFeReO6,-7.3562600073,-2.2623590443,0.3202068591,0.3202068591,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Fe-Mg-O-Re,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Fe-Mg-O-Re, expected Ba2MgFeReO10 to be Ba2MgFeReO6" +mp-31756,Ba2FeReO6,-7.930300586,-2.4870375318,0.0030492895,0.0030492895,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Re +mp-1519390,CaLaFeBiO6,-7.14332375,-2.2500987908,0.3141933712,0.3141933712,GGA+U,I-4,ABCDE6_tI20_82_c_d_a_b_eg:Bi-Ca-Fe-La-O,10.0,ABCDE6_tI20_82_c_d_a_b_eg:Bi-Ca-Fe-La-O +mp-1519350,CaLaFeBiO6,-7.139758885,-2.2465339258,0.3177582362,0.3177582362,GGA+U,P-4n2,ABCDE6_tP20_118_c_d_a_b_ei:Bi-Ca-Fe-La-O,20.0,ABCDE6_tP20_118_c_d_a_b_ei:Bi-Ca-Fe-La-O +mp-1519433,CaLaFeBiO6,-6.962097708,-2.0688727488,0.4954194132,0.4954194132,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Bi-Ca-Fe-La-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Bi-Ca-Fe-La-O +mp-1519874,CaLaFeBiO6,-7.181916221,-2.2886912618,0.2756009002,0.2756009002,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Fe-La-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Fe-La-O +mp-1216044,Zn3Cu6Sn3(SeS2)4,-4.3178067875,-0.6728721516,0.0145498376,0.0145498376,GGA,Cm,A6B8C4D3E3_mC48_8_3b_2a3b_4a_3a_3a:Cu-S-Se-Sn-Zn,24.0,"Invalid WP multiplicities - A6B8C4D3E3_mC48_8_6b_2a6b_4a_3a_3a:Cu-S-Se-Sn-Zn, expected Zn3Cu12Sn3(Se2S7)2 to be Zn3Cu6Sn3(SeS2)4" +mp-1215670,ZnCu2SnSe3S,-4.1566980838,-0.6452089456,0.0167916587,0.0167916587,GGA,P1,A2BC3DE_aP8_1_2a_a_3a_a_a:Cu-S-Se-Sn-Zn,8.0,A2BC3DE_aP8_1_2a_a_3a_a_a:Cu-S-Se-Sn-Zn +mp-1215622,ZnCu2SnSe3S,-4.1522934613,-0.6408043231,0.0211962812,0.0211962812,GGA,Cm,A2BC3DE_mC16_8_b_a_ab_a_a:Cu-S-Se-Sn-Zn,8.0,A2BC3DE_mC16_8_b_a_ab_a_a:Cu-S-Se-Sn-Zn +mp-1215668,ZnCu2Sn(SeS)2,-4.249371005,-0.6578145682000001,0.019438867,0.019438867,GGA,Fmm2,A2B2C2DE_oF32_42_b_c_d_a_a:Cu-S-Se-Sn-Zn,8.0,A2B2C2DE_oF32_42_b_c_d_a_a:Cu-S-Se-Sn-Zn +mp-1215792,ZnCu2SnSeS3,-4.3545940738,-0.6829703383,0.0095359279,0.0095359279,GGA,P1,A2B3CDE_aP8_1_2a_3a_a_a_a:Cu-S-Se-Sn-Zn,8.0,A2B3CDE_aP8_1_2a_3a_a_a_a:Cu-S-Se-Sn-Zn +mp-1225360,Fe4Co(BiO3)5,-6.977702204,-1.6020550458,0.0409312932,0.0409312932,GGA+U,P1,A5BC4D15_aP25_1_5a_a_4a_15a:Bi-Co-Fe-O,25.0,A5BC4D15_aP25_1_5a_a_4a_15a:Bi-Co-Fe-O +mp-1225635,Fe4Co(BiO3)5,-6.9732383344,-1.5975911763,0.0453951628,0.0453951628,GGA+U,P1,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O,50.0,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O +mp-1225879,Fe4Co(BiO3)5,-6.9725197744,-1.5968726163,0.0461137228,0.0461137228,GGA+U,P1,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O,50.0,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O +mp-1351862,Fe4Co(BiO3)5,-6.1719158506,-0.7962686925,0.8467176466,0.8467176466,GGA+U,P1,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O,50.0,A5BC4D15_aP50_1_10a_2a_8a_30a:Bi-Co-Fe-O +mp-1225216,FeCoBi2(AsO6)2,-6.6110674583,-1.5034108689,0.0975488781,0.0975488781,GGA+U,P-1,A2B2CDE12_aP36_2_2i_2i_ac_de_12i:As-Bi-Co-Fe-O,36.0,A2B2CDE12_aP36_2_2i_2i_ac_de_12i:As-Bi-Co-Fe-O +mp-1225696,Fe3CoBi4(AsO6)4,-6.6851604814000005,-1.5396787971,0.0897447091,0.0897447091,GGA+U,P-1,A4B4CD3E24_aP36_2_2i_2i_a_ei_12i:As-Bi-Co-Fe-O,36.0,"Invalid WP multiplicities - A4B4CD3E24_aP36_2_4i_4i_a_ei_24i:As-Bi-Co-Fe-O, expected Fe3CoBi8(AsO6)8 to be Fe3CoBi4(AsO6)4" +mp-1181596,Fe3Co(BiO3)4,-6.913340455,-1.551310331,0.0811521687,0.0811521687,GGA+U,P1,A4BC3D12_aP20_1_4a_a_3a_12a:Bi-Co-Fe-O,20.0,A4BC3D12_aP20_1_4a_a_3a_12a:Bi-Co-Fe-O +mp-1225028,FeCo(BiO3)2,-6.82602624,-1.5320812868,0.0477620165,0.0477620165,GGA+U,P4mm,A2BCD6_tP10_99_2b_a_a_2a2c:Bi-Co-Fe-O,10.0,"Invalid WP multiplicities - A2BCD6_tP10_99_2b_a_a_2a4c:Bi-Co-Fe-O, expected FeCo(BiO5)2 to be FeCo(BiO3)2" +mp-1105091,CoBiAsO5,-6.7076118919,-1.6649407811,0.0,-0.0121918335,GGA+U,P-1,ABCD5_aP16_2_i_i_i_5i:As-Bi-Co-O,32.0,ABCD5_aP16_2_i_i_i_5i:As-Bi-Co-O +mp-1222394,LiBiTe2,-3.6727240475,-0.6637181017,0.0962476312,0.0962476312,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-Li-Te,4.0,ABC2_tP4_123_a_d_bc:Bi-Li-Te +mp-776005,Li4FeBi(TeO6)2,-6.048633572,-1.7689796656,0.0355178608,0.0355178608,GGA+U,P1,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Bi-Fe-Li-O-Te,20.0,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Bi-Fe-Li-O-Te +mp-1521105,BaSrCeZrO6,-8.381064288,-3.6041252434,0.028225213,0.028225213,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ce-O-Sr-Zr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ce-O-Sr-Zr, expected BaSrCeZrO12 to be BaSrCeZrO6" +mp-1521000,BaSrCeZrO6,-8.3747234785,-3.5977844339,0.0345660225,0.0345660225,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Zr,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Zr +mp-1521115,BaSrCeZrO6,-8.330489929,-3.5535508844,0.078799572,0.078799572,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Zr +mp-1519555,Sr2CeZrO6,-8.3495191878,-3.5955282918,0.048360558,0.048360558,GGA,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Ce-O-Sr-Zr,40.0,AB6C2D_cP40_201_b_h_ad_c:Ce-O-Sr-Zr +mp-1519666,Sr2CeZrO6,-8.273631507,-3.5196406111,0.1242482387,0.1242482387,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-Zr +mp-12642,Ba2TmNbO6,-8.303384774,-3.4938625129,0.0,-0.0523281566,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Tm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Tm +mp-2219661,Tm2MgNb2O8,-8.6528504254,-3.2429988356,0.1996787629,0.1996787629,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Tm,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_8c_ab:Mg-Nb-O-Tm, expected Tm2MgNb2O16 to be Tm2MgNb2O8" +mp-2223685,Ba2TmMgNbO6,-7.3480284009,-2.8302554317,0.4146820728,0.4146820728,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nb-O-Tm,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_e2l_b:Ba-Mg-Nb-O-Tm, expected Ba2TmMgNbO10 to be Ba2TmMgNbO6" +mp-2240398,Ba2TmMgNbO6,-7.3655590791,-2.8477861099,0.3971513946,0.3971513946,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Tm,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Nb-O-Tm, expected Ba2TmMgNbO15 to be Ba2TmMgNbO6" +mp-2239888,Ba2TmMgNbO6,-7.31650496,-2.7987319908,0.4462055137,0.4462055137,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Tm,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Mg-Nb-O-Tm, expected Ba2TmMgNbO12 to be Ba2TmMgNbO6" +mp-1521256,BaNdMnSnO6,-7.56007545,-2.6061912713,0.170045647,0.170045647,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Nd-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Mn-Nd-O-Sn +mp-2229162,MgZn2Fe2(SiO5)2,-7.1329318518,-2.3460299187,0.1169417259,0.1169417259,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Fe-Mg-O-Si-Zn,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Fe-Mg-O-Si-Zn +mp-2229218,MgZn2Fe2(SiO5)2,-7.1389775529,-2.3520756199,0.1108960247,0.1108960247,GGA+U,P-1,A2BC10D2E2_aP17_2_ab_d_5i_i_i:Fe-Mg-O-Si-Zn,17.0,"Invalid WP multiplicities - A2BC10D2E2_aP17_2_ab_d_9i_i_i:Fe-Mg-O-Si-Zn, expected MgZn2Fe2(SiO9)2 to be MgZn2Fe2(SiO5)2" +mp-752573,Ba(NaSi2)2,-3.8772721971,-0.125086819,0.009010289,0.009010289,GGA,Ima2,AB2C4_oI56_46_ab_abc_4b2c:Ba-Na-Si,28.0,"Invalid WP multiplicities - AB2C4_oI56_46_2ab_ab2c_8b5c:Ba-Na-Si, expected Ba(NaSi3)2 to be Ba(NaSi2)2" +mp-560889,Ba6Na2Si4O15,-7.294574562,-3.2182596355,0.0,-0.0028498283,GGA,P2_1/c,A6B2C15D4_mP54_14_3e_e_a7e_2e:Ba-Na-O-Si,54.0,"Invalid WP multiplicities - A6B2C15D4_mP54_14_6e_e_2a26e_6e:Ba-Na-O-Si, expected Ba6Na(Si2O9)3 to be Ba6Na2Si4O15" +mp-1019735,BaNaEu(SiO3)3,-8.1701179587,-3.2171409904,0.0,-0.0010215055,GGA,P2_12_12_1,ABCD9E3_oP60_19_a_a_a_9a_3a:Ba-Eu-Na-O-Si,60.0,ABCD9E3_oP60_19_a_a_a_9a_3a:Ba-Eu-Na-O-Si +mp-556806,BaNa2(SiO3)2,-7.1056943977,-3.0061676837,0.0141201586,0.0141201586,GGA,P2_1,AB2C6D2_mP22_4_a_2a_6a_2a:Ba-Na-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_mP22_4_a_4a_12a_4a:Ba-Na-O-Si, expected BaNa4(SiO3)4 to be BaNa2(SiO3)2" +mp-18228,Ba3NaSi23,-4.9277958617,-0.0440267949,0.0602709558,0.0602709558,GGA,Pm-3n,A3BC23_cP54_223_c_a_dik:Ba-Na-Si,54.0,"Invalid WP multiplicities - A3BC23_cP54_223_c_a_d3i3k:Ba-Na-Si, expected Ba3NaSi63 to be Ba3NaSi23" +mp-1102914,Ba2Eu3Si7,-6.5185391025,-0.469690645,0.0,-0.0097088096,GGA,P-62m,A2B3C7_hP12_189_c_g_afg:Ba-Eu-Si,12.0,A2B3C7_hP12_189_c_g_afg:Ba-Eu-Si +mp-1182396,Ba3Na(SiO4)2,-7.1475776571,-3.0401779526,0.0634981951,0.0634981951,GGA,Cmcm,A3BC8D2_oC56_63_cf_a_2cfh_f:Ba-Na-O-Si,28.0,"Invalid WP multiplicities - A3BC8D2_oC56_63_cf_a_2c4f5h_f:Ba-Na-O-Si, expected Ba3Na(SiO15)2 to be Ba3Na(SiO4)2" +mp-1098017,Ba3NaEu3(Si3O10)2,-8.4277812409,-3.2963831222,0.0,-0.0049781999,GGA,Ama2,A3B3CD20E6_oC132_40_bc_ac_b_4b8c_2b2c:Ba-Eu-Na-O-Si,66.0,A3B3CD20E6_oC132_40_bc_ac_b_4b8c_2b2c:Ba-Eu-Na-O-Si +mp-1521439,SrEuHfInO6,-8.43962259,-3.0060725619,0.1965343624,0.1965343624,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-In-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-In-O-Sr +mp-22294,BaEu2NiO5,-8.5446821433,-2.6617311682,0.0138415967,0.0138415967,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Eu-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Eu-Ni-O +mp-1523236,BaCeEuNiO6,-8.009498644,-2.6525651598,0.2080156039,0.2080156039,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Ni-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Ni-O +mp-1229266,Ba12SrCa3(Ru2O9)4,-7.1822776967,-2.4654442584,0.0016925283,0.0016925283,GGA,P-3m1,A12B3C36D8E_hP60_164_2c4d_ac_6i_4d_b:Ba-Ca-O-Ru-Sr,60.0,"Invalid WP multiplicities - A12B3C36D8E_hP60_164_4c8d_ac_36i_8d_b:Ba-Ca-O-Ru-Sr, expected Ba24SrCa3(Ru2O27)8 to be Ba12SrCa3(Ru2O9)4" +mp-6641,Ba3SrRu2O9,-7.134559463,-2.433531346,0.0,-0.0527220058,GGA,C2/c,A3B9C2D_mC60_15_ef_e4f_f_a:Ba-O-Ru-Sr,30.0,A3B9C2D_mC60_15_ef_e4f_f_c:Ba-O-Ru-Sr +mp-1227696,BaSr2ScInO6,-6.9949907764,-2.9893319628,0.0354735082,0.0354735082,GGA,I4mm,ABC6DE2_tI22_107_a_a_2a2b_a_2a:Ba-In-O-Sc-Sr,11.0,ABC6DE2_tI22_107_a_a_2a2b_a_2a:Ba-In-O-Sc-Sr +mp-556551,GdSeClO3,-8.1694244958,-2.4593184106,0.0,-0.14245563,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:Cl-Gd-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_3c4d_c:Cl-Gd-O-Se, expected GdSeClO11 to be GdSeClO3" +mp-505262,GdCuSeO,-8.8979172037,-2.243434929,0.0048456616,0.0048456616,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Gd-O-Se,8.0,ABCD_tP8_129_a_c_b_c:Cu-Gd-O-Se +mp-554419,GdCuSe2ClO6,-6.9936149627,-1.8394494361,0.1072124261,0.1072124261,GGA,P-1,ABCD6E2_aP44_2_2i_2i_2i_12i_4i:Cl-Cu-Gd-O-Se,44.0,"Invalid WP multiplicities - ABCD6E2_aP44_2_4i_4i_2i_21i_7i:Cl-Cu-Gd-O-Se, expected Gd2Cu4Se7Cl4O21 to be GdCuSe2ClO6" +mp-17465,Gd2Cu(SeO3)4,-7.6669206887,-2.1092700784,0.0,-0.2415501716,GGA,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Cu-Gd-O-Se,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_14_a_e_7e_3e:Cu-Gd-O-Se, expected Gd2Cu(Se3O7)2 to be Gd2Cu(SeO3)4" +mp-1095737,LiLaZn2,-0.8567674275,1.4843368704,1.7656082817,1.7656082817,GGA,Immm,ABC2_oI8_71_a_b_e:La-Li-Zn,4.0,ABC2_oI8_71_a_b_e:La-Li-Zn +mp-1521767,SrEuSnSbO6,-7.426189436,-2.4496693744,0.133684615,0.133684615,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Sb-Sn-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Sb-Sn-Sr +mp-1516367,LaEu2SbO6,-8.888121476,-2.9622070548,0.0936229452,0.0936229452,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Eu-La-O-Sb,40.0,A2BC6D_cP40_201_ad_b_h_c:Eu-La-O-Sb +mp-1516435,LaEu2SbO6,-8.812652453,-2.8867380318,0.1690919682,0.1690919682,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-La-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-La-O-Sb +mp-1520390,BaLaEuSbO6,-8.0989621075,-3.0068503723,0.041730936,0.041730936,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Eu-La-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Eu-La-O-Sb, expected BaLaEuSbO12 to be BaLaEuSbO6" +mp-1520679,BaLaEuSbO6,-8.018738426,-2.9266266908,0.1219546175,0.1219546175,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-La-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-La-O-Sb +mp-1232325,BaNaCuClO2,-5.11946015,-1.939023319,0.0963817777,0.0963817777,GGA,P4mm,ABCDE2_tP6_99_a_b_b_a_c:Ba-Cl-Cu-Na-O,6.0,ABCDE2_tP6_99_a_b_b_a_c:Ba-Cl-Cu-Na-O +mp-1226407,Dy2MnCoO6,-7.9498384325,-2.433434529,0.4251093479,0.4251093479,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-Dy-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_d_5e:Co-Dy-Mn-O, expected Dy2MnCoO10 to be Dy2MnCoO6" +mp-1237349,Dy2MnCoO6,-8.1780514035,-2.6616475,0.1968963769,0.1968963769,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Co-Dy-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_5e:Co-Dy-Mn-O, expected Dy2MnCoO10 to be Dy2MnCoO6" +mp-1218225,SrLaCuSbO6,-6.9823004045,-2.5289163309,0.0557606116,0.0557606116,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Cu-La-O-Sb-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Cu-La-O-Sb-Sr +mp-2218131,MgZr(MoO4)2,-8.4460887258,-2.4950228433,0.170236621,0.170236621,GGA+U,Cm,AB2C8D_mC24_8_a_2a_4a2b_a:Mg-Mo-O-Zr,12.0,AB2C8D_mC24_8_a_2a_4a2b_a:Mg-Mo-O-Zr +mp-2218168,MgZr(MoO4)2,-8.343746685,-2.3926808025,0.2725786619,0.2725786619,GGA+U,C2/m,AB2C8D_mC24_12_a_i_2ij_c:Mg-Mo-O-Zr,12.0,AB2C8D_mC24_12_a_i_2ij_d:Mg-Mo-O-Zr +mp-1183044,ZrTlO3,-7.606904402,-2.4568224199,0.2348801273,0.2348801273,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Tl-Zr,5.0,A3BC_cP5_221_c_a_b:O-Tl-Zr +mp-1027843,Mg14ZrMo,-2.5133470525,0.0989824125,0.130828582,0.130828582,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Zr, expected Mg18ZrMo to be Mg14ZrMo" +mp-1027837,Mg14ZrMo,-2.4645548531,0.1477746119,0.1796207814,0.1796207814,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Zr, expected Mg26ZrMo to be Mg14ZrMo" +mp-1022473,Mg6ZrMo,-3.4615554756,0.1628234044,0.2050481993,0.2050481993,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Zr, expected Mg12ZrMo to be Mg6ZrMo" +mp-1022477,Mg6ZrMo,-3.4061439669,0.2182349131,0.2604597081,0.2604597081,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Zr, expected Mg12ZrMo to be Mg6ZrMo" +mp-726071,MgZr3Tl10(MoO4)12,-7.7456563135,-2.0908093829,0.0,-0.0024613782,GGA+U,R32,AB12C48D10E3_hR222_155_a_2f_8f_2cde_bc:Mg-Mo-O-Tl-Zr,74.0,"Invalid WP multiplicities - AB12C48D10E3_hR222_155_a_7f_39f_4cde_bc:Mg-Mo-O-Tl-Zr, expected MgZr3Tl14(Mo7O39)6 to be MgZr3Tl10(MoO4)12" +mp-1247909,Ba10Pr5Sn2(SbO10)3,-7.1568357508,-2.918814012,0.0248288237,0.0248288237,GGA,P-1,A10B30C5D3E2_aP50_2_5i_15i_a2i_di_i:Ba-O-Pr-Sb-Sn,50.0,"Invalid WP multiplicities - A10B30C5D3E2_aP50_2_8i_29i_a3i_di_i:Ba-O-Pr-Sb-Sn, expected Ba16Pr7Sn2Sb3O58 to be Ba10Pr5Sn2(SbO10)3" +mp-695389,Ba18Pr9Sn4Sb5O54,-7.1344411787,-2.8969502371,0.040799981,0.040799981,GGA,Cm,A18B54C9D5E4_mC180_8_18a_18a18b_9a_5a_4a:Ba-O-Pr-Sb-Sn,90.0,"Invalid WP multiplicities - A18B54C9D5E4_mC180_8_18a_18a36b_9a_5a_4a:Ba-O-Pr-Sb-Sn, expected Ba18Pr9Sn4(SbO18)5 to be Ba18Pr9Sn4Sb5O54" +mp-1520158,EuMnNbBiO6,-8.721894775,-2.417800422,0.2027900194,0.2027900194,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Bi-Eu-Mn-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Bi-Eu-Mn-Nb-O +mp-1223071,LaMnIn,-5.6545405633,-0.0379718543,0.2986723307,0.2986723307,GGA,P-6m2,ABC_hP3_187_a_d_e:In-La-Mn,3.0,ABC_hP3_187_a_d_e:In-La-Mn +mp-1228083,BaLaInO4,-7.0978563229,-2.8987962343,0.0438752601,0.0438752601,GGA,Pca2_1,ABCD4_oP28_29_a_a_a_4a:Ba-In-La-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_29_a_a_a_14a:Ba-In-La-O, expected BaLaInO14 to be BaLaInO4" +mp-720201,Ba4La6Mn5In5O30,-7.6024962408,-2.697274264,0.126096266,0.126096266,GGA+U,Cm,A4B5C6D5E30_mC100_8_4a_5a_6a_5a_10a10b:Ba-In-La-Mn-O,50.0,"Invalid WP multiplicities - A4B5C6D5E30_mC100_8_4a_5a_6a_5a_10a20b:Ba-In-La-Mn-O, expected Ba4La6Mn5In5O50 to be Ba4La6Mn5In5O30" +mp-21699,BaLa2In2O7,-7.2618303569,-2.9350655578,0.0049789059,0.0049789059,GGA,P4_2/mnm,AB2C2D7_tP48_136_f_j_j_2eghj:Ba-In-La-O,48.0,"Invalid WP multiplicities - AB2C2D7_tP48_136_f_j_j_2egh2j:Ba-In-La-O, expected BaLa2In2O9 to be BaLa2In2O7" +mp-697820,BaLaMnInO6,-7.4788306275,-2.633949294,0.1199758117,0.1199758117,GGA+U,Pmna,ABCDE6_oP40_53_h_g_h_g_ef2hi:Ba-In-La-Mn-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_53_h_g_h_g_4e4f8h7i:Ba-In-La-Mn-O, expected BaLaMnInO30 to be BaLaMnInO6" +mp-1227886,BaLaMnInO6,-7.443860755,-2.5989794215,0.1549456842,0.1549456842,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-In-La-Mn-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-In-La-Mn-O +mp-1521556,BaLaMnInO6,-7.11025268,-2.2653713465,0.4885537592,0.4885537592,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-In-La-Mn-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-In-La-Mn-O +mp-2215797,Sr2MgZrCrO6,-7.7595325891,-2.9540646505,0.2054050596,0.2054050596,GGA+U,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Cr-Mg-O-Sr-Zr,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Cr-Mg-O-Sr-Zr +mp-2215839,Sr2MgZrCrO6,-7.7635556455,-2.9580877069,0.2013820033,0.2013820033,GGA+U,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Cr-Mg-O-Sr-Zr,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Cr-Mg-O-Sr-Zr +mp-2220526,Sr2MgZrCrO6,-7.7633967955,-2.9579288569,0.2015408533,0.2015408533,GGA+U,C2,ABC6D2E_mC22_5_a_a_3c_c_b:Cr-Mg-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_mC22_5_a_a_5c_c_b:Cr-Mg-O-Sr-Zr, expected Sr2MgZrCrO10 to be Sr2MgZrCrO6" +mp-2215985,Sr2MgZrCrO6,-7.6203698936,-2.8149019551,0.3445677551,0.3445677551,GGA+U,Immm,ABC6D2E_oI22_71_a_c_el_f_b:Cr-Mg-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_a_c_e2l_f_b:Cr-Mg-O-Sr-Zr, expected Sr2MgZrCrO10 to be Sr2MgZrCrO6" +mp-1027844,Mg14ZrCr,-2.4522393631,0.0855524369,0.1073770123,0.1073770123,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Zr, expected Mg18ZrCr to be Mg14ZrCr" +mp-1027834,Mg14ZrCr,-2.4401012775,0.0976905225,0.119515098,0.119515098,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Zr, expected Mg26ZrCr to be Mg14ZrCr" +mp-1022460,Mg6ZrCr,-3.2819261056,0.1933774444,0.2155590512,0.2155590512,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Zr, expected Mg12ZrCr to be Mg6ZrCr" +mp-1022472,Mg6ZrCr,-3.3053999094,0.1699036406,0.1920852474,0.1920852474,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Zr, expected Mg12ZrCr to be Mg6ZrCr" +mp-1518707,SrCrBiSbO6,-6.978196178,-2.0789798219,0.2065327288,0.2065327288,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Bi-Cr-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Bi-Cr-O-Sb-Sr +mp-1228960,AlCr4CuS8,-6.7307518079,-1.0487109996,0.0,-0.0237202246,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Al-Cr-Cu-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Al-Cr-Cu-S +mp-1238822,TiCrCuS4,-6.3986939125,-0.942473109,0.2444447004,0.237508965,GGA,P1,ABC4D_aP56_1_8a_8a_32a_8a:Cr-Cu-S-Ti,56.0,ABC4D_aP56_1_8a_8a_32a_8a:Cr-Cu-S-Ti +mp-1238838,TiCrCuS4,-6.418315025,-0.9620942215,0.2248235879,0.2178878525,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti +mp-1238864,TiCrCuS4,-6.4139481539,-0.9577273505,0.2291904589,0.2222547236,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti +mp-1239230,TiCrCuS4,-6.5601862125,-1.103965409,0.0829524004,0.076016665,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Cr-Cu-S-Ti +mp-1238869,TiCrCuS4,-6.407530725,-0.9513099215,0.2356078879,0.2286721525,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Cu-S-Ti,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Cu-S-Ti +mp-1239143,TiCrCuS4,-6.5783844789,-1.1221636755,0.0647541339,0.0578183986,GGA,P-1,ABC4D_aP28_2_ahi_2i_8i_cfi:Cr-Cu-S-Ti,28.0,ABC4D_aP28_2_ahi_2i_8i_cfi:Cr-Cu-S-Ti +mp-1238900,TiCrCuS4,-6.5706640129,-1.1144432094,0.0724746,0.0655388646,GGA,P2,ABC4D_mP14_3_ab_2c_4e_ab:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mP14_3_bc_2a_8e_bc:Cr-Cu-S-Ti, expected TiCrCuS8 to be TiCrCuS4" +mp-1238879,TiCrCuS4,-6.4414804996,-0.9852596962,0.2016581132,0.1947223779,GGA,Pm,ABC4D_mP28_6_3ab_2a2b_8a8b_a3b:Cr-Cu-S-Ti,28.0,ABC4D_mP28_6_3ab_2a2b_8a8b_a3b:Cr-Cu-S-Ti +mp-1238828,TiCrCuS4,-6.5782593943,-1.1220385908,0.0648792186,0.0579434832,GGA,Cm,ABC4D_mC14_8_a_a_4a_a:Cr-Cu-S-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Cr-Cu-S-Ti +mp-1238835,TiCrCuS4,-6.5733178779,-1.1170970744,0.069820735,0.0628849996,GGA,P2/m,ABC4D_mP7_10_a_c_mn_e:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mP7_10_c_a_2mn_e:Cr-Cu-S-Ti, expected TiCrCuS6 to be TiCrCuS4" +mp-1238861,TiCrCuS4,-6.5805903521,-1.1243695487,0.0625482607,0.0556125254,GGA,P2/m,ABC4D_mP14_10_m_ce_2m2n_n:Cr-Cu-S-Ti,14.0,ABC4D_mP14_10_m_ae_2m2n_n:Cr-Cu-S-Ti +mp-1238830,TiCrCuS4,-6.5437580993,-1.0875372958,0.0993805136,0.0924447782,GGA,P2_1/m,ABC4D_mP14_11_e_e_4e_e:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_mP14_11_e_e_6e_e:Cr-Cu-S-Ti, expected TiCrCuS6 to be TiCrCuS4" +mp-1238853,TiCrCuS4,-6.6424945114,-1.186273708,0.0006441014,-0.0062916339,GGA,I2_12_12_1,ABC4D_oI28_24_a_b_2d_c:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_24_a_b_8d_c:Cr-Cu-S-Ti, expected TiCrCuS16 to be TiCrCuS4" +mp-1239187,TiCrCuS4,-6.4388592318,-0.9826384283,0.2042793811,0.1973436457,GGA,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Cr-Cu-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_26_2a_2ab_5a7b_2b:Cr-Cu-S-Ti, expected Ti2Cr2(CuS4)3 to be TiCrCuS4" +mp-1238889,TiCrCuS4,-6.3937847732,-0.9375639698,0.2493538396,0.2424181043,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Cr-Cu-S-Ti,56.0,ABC4D_oP56_29_2a_2a_8a_2a:Cr-Cu-S-Ti +mp-1239211,TiCrCuS4,-6.4403919186,-0.9841711151,0.2027466943,0.1958109589,GGA,Pmn2_1,ABC4D_oP28_31_2a_2a_8a_2a:Cr-Cu-S-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_31_2a_4a_16a_2a:Cr-Cu-S-Ti, expected TiCr(CuS4)2 to be TiCrCuS4" +mp-1238887,TiCrCuS4,-6.6424752514000005,-1.186254448,0.0006633614,-0.0062723739,GGA,Ima2,ABC4D_oI28_46_a_b_2bc_b:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_46_a_b_3b2c_b:Cr-Cu-S-Ti, expected TiCrCuS7 to be TiCrCuS4" +mp-1239186,TiCrCuS4,-6.4978417304,-1.0416209269,0.1452968825,0.1383611471,GGA,Pmmn,ABC4D_oP28_59_e_ab_2eg_c:Cr-Cu-S-Ti,28.0,ABC4D_oP28_59_e_ab_2eg_c:Cr-Cu-S-Ti +mp-1238862,TiCrCuS4,-6.4401151711,-0.9838943676,0.2030234418,0.1960877064,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:Cr-Cu-S-Ti,28.0,ABC4D_oP28_62_c_c_4c_c:Cr-Cu-S-Ti +mp-1239174,TiCrCuS4,-6.5905181307,-1.1342973273,0.0526204821,0.0456847468,GGA,Pnma,ABC4D_oP28_62_a_c_2cd_c:Cr-Cu-S-Ti,28.0,ABC4D_oP28_62_a_c_2cd_c:Cr-Cu-S-Ti +mp-1216972,TiCrCuS4,-6.6431386129,-1.1869178094,0.0,-0.0069357354,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Cu-S-Ti,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h2i_c:Cr-Cu-S-Ti, expected TiCrCuS8 to be TiCrCuS4" +mp-1228975,Al2Cr3CuS8,-6.3696913307,-1.1096127825,0.0,-0.003305378,GGA,R3m,A2B3CD8_hR42_160_2a_b_a_2a2b:Al-Cr-Cu-S,14.0,A2B3CD8_hR42_160_2a_b_a_2a2b:Al-Cr-Cu-S +mp-1217237,Ti2Al2CrCuS8,-6.322412615,-1.3134134173,0.0307131091,0.0307131091,GGA,Cm,A2BCD8E2_mC28_8_2a_a_a_4a2b_b:Al-Cr-Cu-S-Ti,14.0,A2BCD8E2_mC28_8_2a_a_a_4a2b_b:Al-Cr-Cu-S-Ti +mp-571554,PrAlSi2,-5.2878887813,-0.44360937,0.0,-0.0055934841,GGA,P-3m1,ABC2_hP8_164_d_c_2d:Al-Pr-Si,8.0,"Invalid WP multiplicities - ABC2_hP8_164_d_c_3d:Al-Pr-Si, expected PrAlSi3 to be PrAlSi2" +mp-571302,Pr3(Al2Si3)2,-5.1706695877,-0.4109058365,0.0015071631,0.0015071631,GGA,P-3m1,A4B3C6_hP13_164_2d_ac_3d:Al-Pr-Si,13.0,"Invalid WP multiplicities - A4B3C6_hP13_164_3d_a2c_5d:Al-Pr-Si, expected Pr5(Al3Si5)2 to be Pr3(Al2Si3)2" +mp-12856,Pr(AlSi)2,-4.987037502,-0.362498807,0.0,-0.0063804153,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Pr-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Pr-Si +mp-1219910,Pr2AlSi,-5.253558005,-0.5703816625,0.0,-0.0230067094,GGA,Amm2,AB2C_oC8_38_a_ab_b:Al-Pr-Si,4.0,AB2C_oC8_38_a_ab_b:Al-Pr-Si +mp-2232759,Ba3MgMn3O9,-7.3824548281,-2.4222392564,0.1412432242,0.1412432242,GGA+U,P1,A3BC3D9_aP16_1_3a_a_3a_9a:Ba-Mg-Mn-O,16.0,A3BC3D9_aP16_1_3a_a_3a_9a:Ba-Mg-Mn-O +mp-2224748,Ba3MgMn3O9,-7.4146663356,-2.4544507639,0.1090317167,0.1090317167,GGA+U,Cm,A3BC3D9_mC32_8_3a_a_3a_3a3b:Ba-Mg-Mn-O,16.0,"Invalid WP multiplicities - A3BC3D9_mC32_8_3a_a_3a_3a4b:Ba-Mg-Mn-O, expected Ba3MgMn3O11 to be Ba3MgMn3O9" +mp-2224810,Ba3MgMn3O9,-7.389482685,-2.4292671133,0.1342153673,0.1342153673,GGA+U,Cm,A3BC3D9_mC32_8_3a_a_3a_3a3b:Ba-Mg-Mn-O,16.0,"Invalid WP multiplicities - A3BC3D9_mC32_8_3a_a_3a_3a4b:Ba-Mg-Mn-O, expected Ba3MgMn3O11 to be Ba3MgMn3O9" +mp-2232643,Ba3MgMn3O9,-7.3821816187,-2.421966047,0.1415164336,0.1415164336,GGA+U,R3m,A3BC3D9_hR48_160_3a_a_3a_3b:Ba-Mg-Mn-O,16.0,A3BC3D9_hR48_160_3a_a_3a_3b:Ba-Mg-Mn-O +mp-2215870,Ba2MgMn2O6,-7.3321869536,-2.4737876099,0.1105790268,0.1105790268,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Ba-Mg-Mn-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Ba-Mg-Mn-O +mp-2217558,Ba2MgMn2O6,-7.1371008709,-2.2787015271,0.3056651095,0.3056651095,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Ba-Mg-Mn-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Ba-Mg-Mn-O +mp-2215992,Ba2MgMn2O6,-7.1518868,-2.2934874562,0.2908791804,0.2908791804,GGA+U,Pm,A2BC2D6_mP11_6_ab_a_c_3a3b:Ba-Mg-Mn-O,11.0,A2BC2D6_mP11_6_ab_a_c_3a3b:Ba-Mg-Mn-O +mp-2215838,Ba2MgMn2O6,-7.3084695773,-2.4500702335,0.1342964031,0.1342964031,GGA+U,C2/m,A2BC2D6_mC22_12_i_b_ac_ij:Ba-Mg-Mn-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_12_i_a_bc_i2j:Ba-Mg-Mn-O, expected Ba2MgMn2O10 to be Ba2MgMn2O6" +mp-1038048,BaMg30MnO32,-6.3265893339,-2.9299732325,0.0842615428,0.0842615428,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ba-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ba-Mg-Mn-O, expected BaMg90MnO80 to be BaMg30MnO32" +mp-1037843,BaMg30MnO32,-6.3297005705,-2.933084469,0.0811503063,0.0811503063,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ba-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ba-Mg-Mn-O, expected BaMg110MnO72 to be BaMg30MnO32" +mp-1028064,Mg14MnNb,-2.48960588,0.1145966845,0.1424897898,0.1424897898,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Nb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Nb, expected Mg18MnNb to be Mg14MnNb" +mp-1028054,Mg14MnNb,-2.4751639506,0.1290386139,0.1569317192,0.1569317192,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Nb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Nb, expected Mg26MnNb to be Mg14MnNb" +mp-1037821,Mg30MnNbO32,-6.4690342722,-2.9445692629,0.0584669556,0.0584669556,GGA+U,P4/mmm,A30BCD32_tP64_123_acefjkst_b_d_ghilmnor:Mg-Mn-Nb-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_acefjk6s6t_b_d_2g2h2i3l3m3n3or:Mg-Mn-Nb-O, expected Mg110MnNbO72 to be Mg30MnNbO32" +mp-1037838,Mg30MnNbO32,-6.4669979591,-2.9425329498,0.0605032688,0.0605032688,GGA+U,P4/mmm,A30BCD32_tP64_123_abefjkst_c_d_ghilmnor:Mg-Mn-Nb-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_ab2e2f4j4k3s3t_c_d_ghi4l4m4n4or:Mg-Mn-Nb-O, expected Mg90MnNbO80 to be Mg30MnNbO32" +mp-2232635,Ba3MgMnNb2O9,-7.8216550994,-2.7440283092,0.3204938314,0.3204938314,GGA+U,Cm,A3BCD2E9_mC32_8_3a_a_a_2a_3a3b:Ba-Mg-Mn-Nb-O,16.0,"Invalid WP multiplicities - A3BCD2E9_mC32_8_3a_a_a_2a_3a5b:Ba-Mg-Mn-Nb-O, expected Ba3MgMnNb2O13 to be Ba3MgMnNb2O9" +mp-2233226,Ba3MgMnNb2O9,-7.8376497375,-2.7600229473,0.3044991933,0.3044991933,GGA+U,C2/m,A3BCD2E9_mC32_12_ai_d_c_i_beij:Ba-Mg-Mn-Nb-O,16.0,"Invalid WP multiplicities - A3BCD2E9_mC32_12_ci_a_b_i_de2i3j:Ba-Mg-Mn-Nb-O, expected Ba3MgMnNb2O19 to be Ba3MgMnNb2O9" +mp-2223629,MgMnNbO4,-8.2651994271,-2.4580058233,0.2733012173,0.2733012173,GGA+U,Imm2,ABCD4_oI14_44_a_b_a_2a2b:Mg-Mn-Nb-O,7.0,ABCD4_oI14_44_a_b_a_2a2b:Mg-Mn-Nb-O +mp-2228271,MgMnNbO4,-8.4092780043,-2.6020844004,0.1292226401,0.1292226401,GGA+U,Imm2,ABCD4_oI14_44_a_a_b_2a2b:Mg-Mn-Nb-O,7.0,ABCD4_oI14_44_a_a_b_2a2b:Mg-Mn-Nb-O +mp-2226912,MgMnNbO4,-8.3834361514,-2.5762425476,0.155064493,0.155064493,GGA+U,I-4m2,ABCD4_tI14_119_a_b_c_ef:Mg-Mn-Nb-O,7.0,"Invalid WP multiplicities - ABCD4_tI14_119_a_b_c_2e2f:Mg-Mn-Nb-O, expected MgMnNbO8 to be MgMnNbO4" +mp-2225355,BaMgMnO3,-7.1259376617,-2.5390482590000003,0.0903997835,0.0903997835,GGA+U,P1,ABCD3_aP6_1_a_a_a_3a:Ba-Mg-Mn-O,6.0,ABCD3_aP6_1_a_a_a_3a:Ba-Mg-Mn-O +mp-2239860,BaMgMnO3,-7.1849479633,-2.5980585607,0.0313894819,0.0313894819,GGA+U,Imm2,ABCD3_oI12_44_a_a_a_a2b:Ba-Mg-Mn-O,6.0,ABCD3_oI12_44_a_a_a_a2b:Ba-Mg-Mn-O +mp-2223057,BaMgMnO3,-6.724684725,-2.1377953224,0.4916527202,0.4916527202,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Mn-O,6.0,ABCD3_tP6_123_a_b_d_ce:Ba-Mg-Mn-O +mp-1036047,Mg14MnNbO16,-6.6023571053,-2.8269114674,0.1251206703,0.1251206703,GGA+U,Pmmm,A14BCD16_oP32_47_abjlnpy_e_f_cdghikmoz:Mg-Mn-Nb-O,32.0,"Invalid WP multiplicities - A14BCD16_oP32_47_abjl2n2py_e_f_cdghik2m2oz:Mg-Mn-Nb-O, expected Mg18MnNbO20 to be Mg14MnNbO16" +mp-1036050,Mg14MnNbO16,-6.6064504959,-2.8310048581,0.1210272797,0.1210272797,GGA+U,P4/mmm,A14BCD16_tP32_123_ekln_b_d_acfjmo:Mg-Mn-Nb-O,32.0,"Invalid WP multiplicities - A14BCD16_tP32_123_ek3l3n_b_d_acfj3m3o:Mg-Mn-Nb-O, expected Mg30MnNbO32 to be Mg14MnNbO16" +mp-1022983,Mg6MnNb,-3.3691190569,0.2390060221,0.2782301625,0.2782301625,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Nb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Nb, expected Mg12MnNb to be Mg6MnNb" +mp-1023012,Mg6MnNb,-3.4166453275,0.1914797515,0.2307038919,0.2307038919,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Nb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Nb, expected Mg12MnNb to be Mg6MnNb" +mp-2228574,Ba3MgMn2O8,-7.0632858464,-2.4022326218,0.230294649,0.230294649,GGA+U,R-3m,A3BC2D8_hR42_166_ac_b_c_ch:Ba-Mg-Mn-O,14.0,A3BC2D8_hR42_166_ac_b_c_ch:Ba-Mg-Mn-O +mp-2226546,BaMgMn4O8,-7.892475995,-2.1967027201,0.1519718396,0.1519718396,GGA+U,C2,ABC4D8_mC28_5_a_b_2c_4c:Ba-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_5_a_b_2c_8c:Ba-Mg-Mn-O, expected BaMgMn4O16 to be BaMgMn4O8" +mp-2228498,BaMgMn4O8,-7.845421123599999,-2.1496478487,0.1990267111,0.1990267111,GGA+U,Cm,ABC4D8_mC28_8_a_a_4a_8a:Ba-Mg-Mn-O,14.0,ABC4D8_mC28_8_a_a_4a_8a:Ba-Mg-Mn-O +mp-1044300,BaMgMn4O8,-7.828143415,-2.1323701401,0.2163044196,0.2163044196,GGA+U,P-31m,ABC4D8_hP14_162_a_b_h_ck:Ba-Mg-Mn-O,14.0,ABC4D8_hP14_162_a_b_h_ck:Ba-Mg-Mn-O +mp-2240072,BaMgMn2O5,-7.5766549144,-2.4014627888,0.101864424,0.101864424,GGA+U,Amm2,ABC2D5_oC18_38_a_a_2b_2a3b:Ba-Mg-Mn-O,9.0,ABC2D5_oC18_38_a_a_2b_2a3b:Ba-Mg-Mn-O +mp-2240250,BaMgMn2O5,-6.91659816,-1.7414060344000002,0.7619211784000001,0.7619211784000001,GGA+U,Cmmm,ABC2D5_oC18_65_c_b_g_agh:Ba-Mg-Mn-O,9.0,ABC2D5_oC18_65_c_b_g_agh:Ba-Mg-Mn-O +mp-1032675,BaMg6MnO8,-6.2761413363,-2.5101300724,0.3846881307,0.3846881307,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ba-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ba-Mg-Mn-O, expected BaMg6MnO12 to be BaMg6MnO8" +mp-1032679,BaMg6MnO8,-6.3089316306,-2.5429203667,0.3518978363,0.3518978363,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ba-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ba-Mg-Mn-O, expected BaMg6MnO12 to be BaMg6MnO8" +mp-1046844,Mg2MnNb2O8,-8.4895785588,-2.9404481618,0.0002031426,0.0002031426,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Mg-Mn-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Mg-Mn-Nb-O, expected Mg2MnNb2O10 to be Mg2MnNb2O8" +mp-1233288,MgMn6Nb4O18,-8.9193067131,-2.5048933074,0.1277006142,0.1277006142,GGA+U,P1,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-1233874,MgMn6Nb4O18,-8.8941756172,-2.4797622116,0.15283171,0.15283171,GGA+U,P1,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-1234038,MgMn6Nb4O18,-8.9252502538,-2.5108368481000003,0.1217570735,0.1217570735,GGA+U,P1,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-1234512,MgMn6Nb4O18,-8.9018987207,-2.487485315,0.1451086066,0.1451086066,GGA+U,P1,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-2216434,MgMn6Nb4O18,-8.91653295,-2.5021195443,0.1304743773,0.1304743773,GGA+U,P1,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-1233186,MgMn6Nb4O18,-8.9624369931,-2.5480235874,0.0845703342,0.0845703342,GGA+U,P3,AB6C4D18_hP29_143_a_2a4b_4c_6d:Mg-Mn-Nb-O,29.0,"Invalid WP multiplicities - AB6C4D18_hP29_143_a_2a4b_4c_16d:Mg-Mn-Nb-O, expected MgMn6Nb4O48 to be MgMn6Nb4O18" +mp-2216037,MgMn6Nb4O18,-8.9796504214,-2.5652370157,0.0673569059,0.0673569059,GGA+U,P3,AB6C4D18_hP29_143_a_2a4b_4c_6d:Mg-Mn-Nb-O,29.0,AB6C4D18_aP29_1_a_6a_4a_18a:Mg-Mn-Nb-O +mp-1032714,Mg6MnNbO8,-6.9067911825,-2.6293842874,0.2206396888,0.2206396888,GGA+U,P4/mmm,A6BCD8_tP16_123_aci_b_d_efgh:Mg-Mn-Nb-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_aci_b_d_2e2fgh:Mg-Mn-Nb-O, expected Mg6MnNbO12 to be Mg6MnNbO8" +mp-1032800,Mg6MnNbO8,-6.8804119425,-2.6030050474,0.2470189288,0.2470189288,GGA+U,P4/mmm,A6BCD8_tP16_123_abi_c_d_efgh:Mg-Mn-Nb-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_abi_c_d_2e2fgh:Mg-Mn-Nb-O, expected Mg6MnNbO12 to be Mg6MnNbO8" +mp-2227413,Ba2MgMnO4,-6.9550018675,-2.6566268591,0.0290713441,0.0290713441,GGA+U,P4mm,A2BCD4_tP8_99_ab_a_b_abc:Ba-Mg-Mn-O,8.0,"Invalid WP multiplicities - A2BCD4_tP8_99_ab_a_b_ab2c:Ba-Mg-Mn-O, expected Ba2MgMnO6 to be Ba2MgMnO4" +mp-2227068,Ba2MgMnO4,-6.6424825487,-2.3441075404,0.3415906628,0.3415906628,GGA+U,I-4m2,A2BCD4_tI16_119_e_c_a_ef:Ba-Mg-Mn-O,8.0,"Invalid WP multiplicities - A2BCD4_tI16_119_e_c_a_e2f:Ba-Mg-Mn-O, expected Ba2MgMnO6 to be Ba2MgMnO4" +mp-2227876,Ba2MgMnO4,-6.712792535,-2.4144175266,0.2712806766,0.2712806766,GGA+U,P4/mmm,A2BCD4_tP8_123_h_a_b_eg:Ba-Mg-Mn-O,8.0,"Invalid WP multiplicities - A2BCD4_mC16_12_i_a_c_2ei:Ba-Mg-Mn-O, expected Ba2MgMnO6 to be Ba2MgMnO4" +mp-2227359,Ba2MgMnO4,-6.6897102225000005,-2.3913352141,0.2943629891,0.2943629891,GGA+U,I4/mmm,A2BCD4_tI16_139_e_a_b_ce:Ba-Mg-Mn-O,8.0,"Invalid WP multiplicities - A2BCD4_tI16_139_e_a_b_2ce:Ba-Mg-Mn-O, expected Ba2MgMnO6 to be Ba2MgMnO4" +mp-1036211,BaMg14MnO16,-6.3012851194,-2.7815372971,0.1928919541,0.1928919541,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ba-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ba-Mg-Mn-O, expected BaMg18MnO20 to be BaMg14MnO16" +mp-1036171,BaMg14MnO16,-6.3084421969,-2.7886943746,0.1857348766,0.1857348766,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ba-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ba-Mg-Mn-O, expected BaMg30MnO32 to be BaMg14MnO16" +mp-1035088,NaMg14CoO16,-6.2643723128,-2.8274415888,0.0409953513,0.0409953513,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Co-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Co-Mg-Na-O, expected NaMg18CoO20 to be NaMg14CoO16" +mp-1035146,NaMg14CoO16,-6.2454877028,-2.8085569788,0.0598799613,0.0598799613,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Co-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Co-Mg-Na-O, expected NaMg30CoO32 to be NaMg14CoO16" +mp-2231381,MgCo4(SbO6)2,-6.6897585037,-1.5501891224,0.1689361321,0.1689361321,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Co-Mg-O-Sb,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Co-Mg-O-Sb +mp-2231228,MgCo4(SbO6)2,-6.6207133442,-1.4811439629,0.2379812915,0.2379812915,GGA+U,Cm,A4BC12D2_mC38_8_2b_a_4a4b_2a:Co-Mg-O-Sb,19.0,"Invalid WP multiplicities - A4BC12D2_mC38_8_3b_a_4a7b_2a:Co-Mg-O-Sb, expected MgCo6(SbO9)2 to be MgCo4(SbO6)2" +mp-2218859,Na4Mg(CoO3)2,-5.5223119815,-1.6156082061,0.1851260723,0.1851260723,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O +mp-2226674,Na4Mg(CoO3)2,-5.6102719192,-1.7035681437,0.0971661346,0.0971661346,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O +mp-2233656,Na4Mg(CoO3)2,-5.5593507577,-1.6526469822,0.1480872962,0.1480872962,GGA+U,P1,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O,13.0,A2BC4D6_aP13_1_2a_a_4a_6a:Co-Mg-Na-O +mp-2240818,Na4Mg(CoO3)2,-5.4657567985,-1.559053023,0.2416812554,0.2416812554,GGA+U,P-1,A2BC4D6_aP13_2_i_e_bci_3i:Co-Mg-Na-O,13.0,"Invalid WP multiplicities - A2BC4D6_aP13_2_i_e_bci_6i:Co-Mg-Na-O, expected Na4Mg(CoO6)2 to be Na4Mg(CoO3)2" +mp-2219094,Na4Mg(CoO3)2,-5.4922773446,-1.5855735691,0.2151607092,0.2151607092,GGA+U,Cm,A2BC4D6_mC26_8_b_a_2ab_2a2b:Co-Mg-Na-O,13.0,A2BC4D6_mC26_8_b_a_2ab_2a2b:Co-Mg-Na-O +mp-2219101,Na4Mg(CoO3)2,-5.4556248915,-1.5489211161,0.2518131623,0.2518131623,GGA+U,Cm,A2BC4D6_mC26_8_2a_a_4a_2a2b:Co-Mg-Na-O,13.0,A2BC4D6_mC26_8_2a_a_4a_2a2b:Co-Mg-Na-O +mp-2227495,Na4Mg(CoO3)2,-5.5497382054,-1.6430344299,0.1576998485,0.1576998485,GGA+U,Cm,A2BC4D6_mC26_8_2a_a_2b_2a2b:Co-Mg-Na-O,13.0,"Invalid WP multiplicities - A2BC4D6_mC26_8_2a_a_4b_2a4b:Co-Mg-Na-O, expected Na8Mg(CoO5)2 to be Na4Mg(CoO3)2" +mp-2226677,Na4Mg(CoO3)2,-5.4680421408,-1.5613383653,0.2393959131,0.2393959131,GGA+U,C2/m,A2BC4D6_mC26_12_i_b_aci_ij:Co-Mg-Na-O,13.0,"Invalid WP multiplicities - A2BC4D6_mC26_12_i_a_bc2i_2ij:Co-Mg-Na-O, expected Na6Mg(CoO4)2 to be Na4Mg(CoO3)2" +mp-2218348,Na3MgCo2SbO6,-5.7941633531,-1.6715768125,0.2423089748,0.2423089748,GGA+U,P1,A2BC3D6E_aP13_1_2a_a_3a_6a_a:Co-Mg-Na-O-Sb,13.0,A2BC3D6E_aP13_1_2a_a_3a_6a_a:Co-Mg-Na-O-Sb +mp-2218503,Na3MgCo2SbO6,-5.76238545,-1.6397989094,0.2740868779,0.2740868779,GGA+U,Cm,A2BC3D6E_mC26_8_b_a_ab_2a2b_a:Co-Mg-Na-O-Sb,13.0,"Invalid WP multiplicities - A2BC3D6E_mC26_8_b_a_ab_2a4b_a:Co-Mg-Na-O-Sb, expected Na3MgCo2SbO10 to be Na3MgCo2SbO6" +mp-2218830,MgCo2(SbO4)2,-6.6123427415,-1.7163098331,0.2307981877,0.2307981877,GGA+U,C2/m,A2BC8D2_mC26_12_f_b_2ij_ac:Co-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_e_b_4i3j_ac:Co-Mg-O-Sb, expected MgCo2(SbO10)2 to be MgCo2(SbO4)2" +mp-2218878,MgCo2(SbO4)2,-6.7108986254000005,-1.8148657169,0.1322423038,0.1322423038,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_f:Co-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_3i2j_e:Co-Mg-O-Sb, expected MgCo2(SbO7)2 to be MgCo2(SbO4)2" +mp-2219883,MgCo2(SbO4)2,-6.7316389177,-1.8356060092,0.1115020115,0.1115020115,GGA+U,Imm2,A2BC8D2_oI26_44_c_a_2c2d_d:Co-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_c_a_4c4d_d:Co-Mg-O-Sb, expected MgCo2(SbO8)2 to be MgCo2(SbO4)2" +mp-2217119,Na2Mg(CoO2)2,-5.8796309456,-1.6297730487000002,0.1546497,0.1546497,GGA+U,P1,A2BC2D4_aP9_1_2a_a_2a_4a:Co-Mg-Na-O,9.0,A2BC2D4_aP9_1_2a_a_2a_4a:Co-Mg-Na-O +mp-2217480,Na2Mg(CoO2)2,-5.8854137244,-1.6355558276000002,0.1488669211,0.1488669211,GGA+U,P1,A2BC2D4_aP9_1_2a_a_2a_4a:Co-Mg-Na-O,9.0,A2BC2D4_aP9_1_2a_a_2a_4a:Co-Mg-Na-O +mp-2217091,Na2Mg(CoO2)2,-5.73279356,-1.4829356631,0.3014870856,0.3014870856,GGA+U,Cm,A2BC2D4_mC18_8_2a_a_2a_4a:Co-Mg-Na-O,9.0,A2BC2D4_mC18_8_2a_a_2a_4a:Co-Mg-Na-O +mp-2240442,Na2Mg(CoO2)2,-5.2901350767,-1.0402771798,0.7441455689,0.7441455689,GGA+U,Amm2,A2BC2D4_oC18_38_c_a_ab_2c:Co-Mg-Na-O,9.0,"Invalid WP multiplicities - A2BC2D4_hP9_187_i_c_ab_2hi:Co-Mg-Na-O, expected Na2Mg(CoO3)2 to be Na2Mg(CoO2)2" +mp-2217423,Na2Mg(CoO2)2,-5.1242107244,-0.8743528276,0.9100699211,0.9100699211,GGA+U,P-6m2,A2BC2D4_hP9_187_g_a_cf_hi:Co-Mg-Na-O,9.0,"Invalid WP multiplicities - A2BC2D4_hP9_187_g_a_cf_2hi:Co-Mg-Na-O, expected Na2Mg(CoO3)2 to be Na2Mg(CoO2)2" +mp-2230067,Na3Mg(CoO2)5,-6.2364952453,-1.4693198759,0.2024715879,0.2024715879,GGA+U,P1,A5BC3D10_aP19_1_5a_a_3a_10a:Co-Mg-Na-O,19.0,A5BC3D10_aP19_1_5a_a_3a_10a:Co-Mg-Na-O +mp-2231249,Na3Mg(CoO2)5,-6.23907277,-1.4718974006,0.1998940632,0.1998940632,GGA+U,P1,A5BC3D10_aP19_1_5a_a_3a_10a:Co-Mg-Na-O,19.0,A5BC3D10_aP19_1_5a_a_3a_10a:Co-Mg-Na-O +mp-2233628,MgCo3SbO8,-6.7250733862,-1.5998622812,0.1596296928,0.1596296928,GGA+U,P-1,A3BC8D_aP13_2_abf_c_4i_d:Co-Mg-O-Sb,13.0,"Invalid WP multiplicities - A3BC8D_aP13_2_abf_c_7i_d:Co-Mg-O-Sb, expected MgCo3SbO14 to be MgCo3SbO8" +mp-2233395,MgCo3SbO8,-6.69746156,-1.572250455,0.187241519,0.187241519,GGA+U,C2/m,A3BC8D_mC26_12_ae_c_2ij_b:Co-Mg-O-Sb,13.0,"Invalid WP multiplicities - A3BC8D_mC26_12_bf_c_3i2j_a:Co-Mg-O-Sb, expected MgCo3SbO14 to be MgCo3SbO8" +mp-2228075,NaMgCoO2,-5.483963146,-1.4990630338,0.457527174,0.457527174,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Co-Mg-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Co-Mg-Na-O +mp-2228265,NaMgCoO2,-5.531050604,-1.5461504918,0.410439716,0.410439716,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Co-Mg-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Co-Mg-Na-O +mp-2210651,NaMgCoO2,-5.268084576,-1.2831844638,0.6734057440000001,0.6734057440000001,GGA+U,C2/m,ABCD2_mC10_12_b_a_c_i:Co-Mg-Na-O,5.0,ABCD2_mC10_12_a_b_c_i:Co-Mg-Na-O +mp-2224159,NaMgCoO2,-4.9241459160000005,-0.9392458038,1.017344404,1.017344404,GGA+U,C2/m,ABCD2_mC10_12_c_a_b_i:Co-Mg-Na-O,5.0,ABCD2_mC10_12_c_b_a_i:Co-Mg-Na-O +mp-2227025,NaMgCoO2,-5.513822996,-1.5289228838,0.427667324,0.427667324,GGA+U,F222,ABCD2_oF20_22_a_c_d_e:Co-Mg-Na-O,5.0,ABCD2_mC10_5_b_a_a_c:Co-Mg-Na-O +mp-2228281,NaMgCoO2,-5.513648386,-1.5287482738,0.427841934,0.427841934,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Co-Mg-Na-O,5.0,ABCD2_hR15_160_a_a_a_2a:Co-Mg-Na-O +mp-2230310,MgCo5SbO12,-6.6693645168,-1.3729890011,0.1724467172,0.1724467172,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sb,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sb +mp-2231106,MgCo5SbO12,-6.6348951474,-1.3385196316,0.2069160867,0.2069160867,GGA+U,Cm,A5BC12D_mC38_8_a2b_a_4a4b_a:Co-Mg-O-Sb,19.0,"Invalid WP multiplicities - A5BC12D_mC38_8_a3b_a_4a7b_a:Co-Mg-O-Sb, expected MgCo7SbO18 to be MgCo5SbO12" +mp-2233259,Na6Mg(CoO3)2,-5.1528522227,-1.5907055781,0.0963717409,0.0963717409,GGA+U,P1,A2BC6D6_aP15_1_2a_a_6a_6a:Co-Mg-Na-O,15.0,A2BC6D6_aP15_1_2a_a_6a_6a:Co-Mg-Na-O +mp-2227292,Na6Mg(CoO3)2,-5.098696428,-1.5365497835,0.1505275356,0.1505275356,GGA+U,P-1,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O,15.0,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O +mp-2224240,Na6Mg(CoO3)2,-5.1294536013,-1.5673069568,0.1197703622,0.1197703622,GGA+U,P-1,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC6D6_aP15_2_i_a_5i_5i:Co-Mg-Na-O, expected Na10Mg(CoO5)2 to be Na6Mg(CoO3)2" +mp-2227073,Na6Mg(CoO3)2,-5.114184114,-1.5520374695,0.1350398496,0.1350398496,GGA+U,P-1,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O,15.0,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O +mp-2232868,Na6Mg(CoO3)2,-5.142140128,-1.5799934835,0.1070838356,0.1070838356,GGA+U,P-1,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O,15.0,A2BC6D6_aP15_2_i_a_3i_3i:Co-Mg-Na-O +mp-2232790,Na6Mg(CoO3)2,-5.1259736973,-1.5638270528,0.1232502662,0.1232502662,GGA+U,C2,A2BC6D6_mC30_5_c_a_3c_3c:Co-Mg-Na-O,15.0,A2BC6D6_mC30_5_c_a_3c_3c:Co-Mg-Na-O +mp-2227840,Na6Mg(CoO3)2,-5.0847962413,-1.5226495968,0.1644277222,0.1644277222,GGA+U,Amm2,A2BC6D6_oC30_38_ab_a_abde_abde:Co-Mg-Na-O,15.0,"Invalid WP multiplicities - A2BC6D6_oC30_38_ab_a_ab2d2e_ab2d2e:Co-Mg-Na-O, expected Na10Mg(CoO5)2 to be Na6Mg(CoO3)2" +mp-1032301,NaMg6CoO8,-6.1656084463,-2.5652313788,0.1176022019,0.1176022019,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Co-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Co-Mg-Na-O, expected NaMg6CoO12 to be NaMg6CoO8" +mp-1032216,NaMg6CoO8,-6.1549807725,-2.5546037051,0.1282298756,0.1282298756,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Co-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Co-Mg-Na-O, expected NaMg6CoO12 to be NaMg6CoO8" +mp-1026875,NaMg14Co,-1.8203311075,0.1068416293,0.1301435913,0.1301435913,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Na, expected NaMg18Co to be NaMg14Co" +mp-1026864,NaMg14Co,-1.8224471606,0.1047255762,0.1280275382,0.1280275382,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Na, expected NaMg26Co to be NaMg14Co" +mp-561940,Na3Co2SbO6,-6.1087344504,-1.7759557023,0.0152199821,-0.0100533621,GGA+U,P-1,A2B3C6D_aP12_2_i_bi_3i_c:Co-Na-O-Sb,24.0,A2B3C6D_aP12_2_i_bi_3i_c:Co-Na-O-Sb +mp-19087,Na3Co2SbO6,-6.1239544325,-1.7911756843000002,0.0,-0.0252733442,GGA+U,C2/m,A2B3C6D_mC24_12_g_ch_ij_b:Co-Na-O-Sb,12.0,A2B3C6D_mC24_12_g_ch_ij_a:Co-Na-O-Sb +mp-1234339,MgCo5SbO8,-6.7729083367000005,-1.3832830063,0.2718188267,0.2718188267,GGA+U,Cm,A5BC8D_mC30_8_3ab_a_4a2b_a:Co-Mg-O-Sb,15.0,"Invalid WP multiplicities - A5BC8D_mC30_8_3ab_a_4a3b_a:Co-Mg-O-Sb, expected MgCo5SbO10 to be MgCo5SbO8" +mp-1233784,MgCo5SbO8,-6.7955284627,-1.4059031323,0.2491987007,0.2491987007,GGA+U,C2/m,A5BC8D_mC30_12_cei_b_2ij_a:Co-Mg-O-Sb,15.0,"Invalid WP multiplicities - A5BC8D_mC30_12_ce2i_b_3i3j_a:Co-Mg-O-Sb, expected MgCo7SbO18 to be MgCo5SbO8" +mp-1037022,NaMg30CoO32,-6.3032739816,-2.9480664292,0.0131721905,0.0131721905,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Co-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Co-Mg-Na-O, expected NaMg90CoO80 to be NaMg30CoO32" +mp-1037015,NaMg30CoO32,-6.2972005558,-2.9419930035,0.0192456162,0.0192456162,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Co-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Co-Mg-Na-O, expected NaMg110CoO72 to be NaMg30CoO32" +mp-1042566,MgCoSb2O7,-6.5535834334,-1.8632724058,0.1988039088,0.1988039088,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Co-Mg-O-Sb,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_2e_3e_17e_7e:Co-Mg-O-Sb, expected Mg3Co2Sb7O17 to be MgCoSb2O7" +mp-2230394,Na8Mg(CoO4)2,-5.0944704105,-1.6223321117,0.0868353916,0.0868353916,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O +mp-2231861,Na8Mg(CoO4)2,-5.1030611189,-1.6309228201,0.0782446832,0.0782446832,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O +mp-2231061,Na8Mg(CoO4)2,-5.1150524884,-1.6429141896,0.0662533137,0.0662533137,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O +mp-2231472,Na8Mg(CoO4)2,-5.1112371868,-1.639098888,0.0700686153,0.0700686153,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Co-Mg-Na-O +mp-1344636,Mg2CoSbO6,-6.54833494,-2.1365337997,0.1291439228,0.1291439228,GGA+U,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Co-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Co-Mg-O-Sb, expected Mg2CoSbO16 to be Mg2CoSbO6" +mp-1022053,NaMg6Co,-2.04699219,0.2070732336,0.2297429983,0.2297429983,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Na, expected NaMg12Co to be NaMg6Co" +mp-1022196,NaMg6Co,-2.0494791362,0.2045862873,0.2272560521,0.2272560521,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Na, expected NaMg12Co to be NaMg6Co" +mp-2230991,MgCo2(SbO3)4,-6.5739206179,-1.7479635055,0.1794739182,0.1794739182,GGA+U,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Co-Mg-O-Sb,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Co-Mg-O-Sb +mp-2230400,MgCo2(SbO3)4,-6.5120864968,-1.6861293845,0.2413080393,0.2413080393,GGA+U,P2,A2BC12D4_mP19_3_bc_a_6e_2b2c:Co-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_3_ab_c_11e_2a2b:Co-Mg-O-Sb, expected MgCo2(Sb2O11)2 to be MgCo2(SbO3)4" +mp-2230374,MgCo2(SbO3)4,-6.5683896589,-1.7424325466,0.1850048772,0.1850048772,GGA+U,Cm,A2BC12D4_mC38_8_2a_a_6a3b_4a:Co-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mC38_8_2a_a_6a5b_4a:Co-Mg-O-Sb, expected MgCo2(SbO4)4 to be MgCo2(SbO3)4" +mp-2217944,NaMg(CoO2)3,-6.4252131836,-1.5226776386,0.2237160355,0.2237160355,GGA+U,P1,A3BCD6_aP11_1_3a_a_a_6a:Co-Mg-Na-O,11.0,A3BCD6_aP11_1_3a_a_a_6a:Co-Mg-Na-O +mp-2225037,NaMg(CoO2)3,-6.4703319773,-1.5677964322,0.1785972418,0.1785972418,GGA+U,P1,A3BCD6_aP11_1_3a_a_a_6a:Co-Mg-Na-O,11.0,A3BCD6_aP11_1_3a_a_a_6a:Co-Mg-Na-O +mp-1379988,Ba2MgCuSn2F14,-5.340715904,-3.1248516113,0.168384317,0.168384317,GGA,P1,A2BC14DE2_aP40_1_4a_2a_28a_2a_4a:Ba-Cu-F-Mg-Sn,40.0,A2BC14DE2_aP40_1_4a_2a_28a_2a_4a:Ba-Cu-F-Mg-Sn +mp-1041291,BaMgSnF7,-5.4963430825,-3.4054251208,0.1167097987,0.1167097987,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Sn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Sn, expected BaMgSnF23 to be BaMgSnF7" +mp-1369701,MgSnF5,-5.2136933986,-3.0469438639,0.1710572402,0.1710572402,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Sn,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Sn +mp-1388089,MgSnF5,-5.2024230214,-3.0356734868,0.1823276173,0.1823276173,GGA,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-Sn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_a:F-Mg-Sn, expected MgSnF7 to be MgSnF5" +mp-1397451,MgSnF6,-5.3653385438,-3.23049783,0.0,-0.1010211387,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Sn,8.0,A6BC_hR24_148_f_a_b:F-Mg-Sn +mp-1411922,MgSnF4,-5.3641962625,-3.1549016333,0.0446344254,0.0446344254,GGA,C2,A4BC_mC24_5_4c_ab_c:F-Mg-Sn,12.0,"Invalid WP multiplicities - A4BC_mC24_5_7c_ab_c:F-Mg-Sn, expected MgSnF7 to be MgSnF4" +mp-760145,Li4Mn3Nb3(SnO8)2,-7.8761043954,-2.426396697,0.0950074786,0.0950074786,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Nb-O-Sn,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Nb-O-Sn, expected Li4Mn3Nb3(SnO10)2 to be Li4Mn3Nb3(SnO8)2" +mp-758581,Li4Mn3Nb2Sn3O16,-7.6017359811,-2.3695901822,0.0424376964,0.0424376964,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Nb-O-Sn,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Nb-O-Sn, expected Li4Mn3Nb2Sn3O20 to be Li4Mn3Nb2Sn3O16" +mp-775631,Li4Fe3Cu3(SnO8)2,-6.3529504314,-1.6204669244,0.0378313886,0.0378313886,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-Sn, expected Li4Fe3Cu3(SnO10)2 to be Li4Fe3Cu3(SnO8)2" +mp-1177426,Li4Fe3Cu2Sn3O16,-6.4439605307,-1.7146782671,0.0868666689,0.0868666689,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cu-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Cu-Fe-Li-O-Sn, expected Li4Fe3Cu2Sn3O20 to be Li4Fe3Cu2Sn3O16" +mp-1177443,Li4Fe2Cu3Sn3O16,-6.2382849557,-1.6651032114,0.0657902923,0.0657902923,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cu-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Cu-Fe-Li-O-Sn, expected Li4Fe2Cu3Sn3O20 to be Li4Fe2Cu3Sn3O16" +mp-1214696,Ba2DyCu2HgO7,-6.0657975515,-2.0985935974,0.1075233447,0.1075233447,GGA,P4/mmm,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Dy-Hg-O,13.0,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Dy-Hg-O +mp-1520006,SrCaCeGeO6,-7.438683806,-3.0455495449,0.1996680807,0.1996680807,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Ge-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Ge-O-Sr +mp-1517419,Sr2CeGeO6,-7.462891277,-3.1013676586,0.116605703,0.116605703,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ce-Ge-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ce-Ge-O-Sr +mp-1522634,NaLaInSbO6,-6.627121415,-2.3451864514,0.1761932085,0.1761932085,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:In-La-Na-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:In-La-Na-O-Sb +mp-1520324,BaTbEuBiO6,-7.877464519,-2.8443680953,0.0740820989,0.0740820989,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Eu-O-Tb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Eu-O-Tb, expected BaTbEuBiO12 to be BaTbEuBiO6" +mp-1520323,BaTbEuBiO6,-7.859448312,-2.8263518883,0.0920983059,0.0920983059,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Eu-O-Tb,40.0,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Eu-O-Tb +mp-1520148,BaTbEuBiO6,-7.789953129,-2.7568567053,0.1615934889,0.1615934889,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Tb +mp-1228493,Ba2La3Nd(CuO5)2,-7.5012120372,-2.9967998661,0.0286657518,0.0286657518,GGA,Amm2,A2B2C3DE10_oC36_38_e_2b_ad_a_2cdf:Ba-Cu-La-Nd-O,18.0,"Invalid WP multiplicities - A2B2C3DE10_oC36_38_e_2b_ad_a_4cd2f:Ba-Cu-La-Nd-O, expected Ba2La3Nd(CuO9)2 to be Ba2La3Nd(CuO5)2" +mp-1222994,LaNdCuO4,-7.7310360029,-2.9324479954,0.0970076469,0.0970076469,GGA,C2/m,ABCD4_mC28_12_ad_i_i_2ij:Cu-La-Nd-O,14.0,ABCD4_mC28_12_ac_i_i_2ij:Cu-La-Nd-O +mp-1222801,LaNdCuO4,-7.7209797686,-2.9223917611,0.1070638812,0.1070638812,GGA,I4mm,ABCD4_tI14_107_a_a_a_2ab:Cu-La-Nd-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Cu-La-Nd-O +mp-1222802,LaNdCuO4,-7.8058877043,-3.0072996968,0.0221559455,0.0221559455,GGA,I4mm,ABCD4_tI14_107_a_a_a_2b:Cu-La-Nd-O,7.0,ABCD4_tI14_107_a_a_a_2b:Cu-La-Nd-O +mp-1223168,La3Nd(CuO4)2,-7.7737094414,-2.9631314573000003,0.0943813243,0.0637154711,GGA,Cm,A2B3CD8_mC28_8_2a_3a_a_4a2b:Cu-La-Nd-O,14.0,"Invalid WP multiplicities - A2B3CD8_mC28_8_2a_3a_a_4a3b:Cu-La-Nd-O, expected La3Nd(CuO5)2 to be La3Nd(CuO4)2" +mp-1223089,La3Nd(CuO4)2,-7.8680907657,-3.0575127816,0.0,-0.0306658532,GGA,P4mm,A2B3CD8_tP14_99_ab_a2b_a_4c:Cu-La-Nd-O,14.0,"Invalid WP multiplicities - A2B3CD8_tP14_99_ab_a2b_a_7c:Cu-La-Nd-O, expected La3Nd(CuO7)2 to be La3Nd(CuO4)2" +mp-1195058,Ba3NaSm3(Si3O10)2,-8.1105399621,-3.4826341766,0.0,-0.0234533506,GGA,Ama2,A3BC20D6E3_oC132_40_bc_b_4b8c_2b2c_ac:Ba-Na-O-Si-Sm,66.0,A3BC20D6E3_oC132_40_bc_b_4b8c_2b2c_ac:Ba-Na-O-Si-Sm +mp-17357,NaSmSiO4,-7.7585519636,-3.2938113488000003,0.0009404296,0.0009404296,GGA,I4/m,AB4CD_tI56_87_h_2hi_h_h:Na-O-Si-Sm,28.0,AB4CD_tI56_87_h_2hi_h_h:Na-O-Si-Sm +mp-1048901,CaLaCrNiO6,-7.751275112,-2.5457827718,0.0702669541,0.0702669541,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Ni-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Ni-O +mp-1214108,CoCuSe2(ClO5)2,-4.8624136494,-0.4022069086,0.5322787806,0.5322787806,GGA+U,Pnma,A2BCD10E2_oP64_62_d_c_a_2c4d_d:Cl-Co-Cu-O-Se,64.0,A2BCD10E2_oP64_62_d_c_a_2c4d_d:Cl-Co-Cu-O-Se +mp-1518274,SrCaNiBiO6,-6.206208883,-1.9066237419,0.1527246199,0.1527246199,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Ni-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Ni-O-Sr +mp-1523312,SrEuCrSbO6,-8.180808444,-2.6399408209,0.034914577,0.034914577,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Cr-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Cr-Eu-O-Sb-Sr +mp-2218449,RbMgIn(MoO4)2,-6.9736967485,-1.8508269206,0.3902034385,0.3902034385,GGA+U,P3m1,ABC2D8E_hP13_156_b_a_ac_ac2d_b:In-Mg-Mo-O-Rb,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_b_a_ac_ac3d_b:In-Mg-Mo-O-Rb, expected RbMgInMo2O11 to be RbMgIn(MoO4)2" +mp-2227585,RbMgIn(MoO4)2,-6.9710196054,-1.8481497775,0.3928805815,0.3928805815,GGA+U,P3m1,ABC2D8E_hP13_156_a_a_bc_bc2d_a:In-Mg-Mo-O-Rb,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_a_a_bc_bc3d_a:In-Mg-Mo-O-Rb, expected RbMgInMo2O11 to be RbMgIn(MoO4)2" +mp-540602,RbIn(MoO4)2,-7.4899259619,-2.0735069858,0.0065603731,-0.0067796337,GGA+U,Pnma,AB2C8D_oP48_62_c_2c_4c2d_c:In-Mo-O-Rb,48.0,AB2C8D_oP48_62_c_2c_4c2d_c:In-Mo-O-Rb +mp-504506,RbIn(MoO4)2,-7.496486335,-2.080067359,0.0,-0.0133400068,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:In-Mo-O-Rb,12.0,"Invalid WP multiplicities - AB2C8D_hP12_164_a_d_d2i_b:In-Mo-O-Rb, expected RbIn(MoO7)2 to be RbIn(MoO4)2" +mp-675046,Rb28(Mg3In17)3,-2.2037543668,-0.1333754497,0.0,-0.0088744101,GGA,Pm,A51B9C28_mP88_6_4a5b21c_5a4b_14c:In-Mg-Rb,88.0,"Invalid WP multiplicities - A51B9C28_mP88_6_4a5b31c_5a4b_21c:In-Mg-Rb, expected Rb42Mg9In71 to be Rb28(Mg3In17)3" +mp-1209387,Rb5In(MoO4)4,-7.1542084485,-2.1471325288,0.0,-0.0022874612,GGA+U,P2/c,AB4C16D5_mP52_13_e_2g_8g_f2g:In-Mo-O-Rb,52.0,AB4C16D5_mP52_13_e_2g_8g_f2g:In-Mo-O-Rb +mp-2218060,Ba2YbMgBiO6,-6.2799113818,-2.5982332357,0.1506607382,0.1506607382,GGA,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Bi-Mg-O-Yb,,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Bi-Mg-O-Yb +mp-2217893,Ba2YbMgBiO6,-6.2389288636,-2.5572507175,0.1916432564,0.1916432564,GGA,P-1,A2BCD6E_aP11_2_i_d_a_3i_c:Ba-Bi-Mg-O-Yb,,"Invalid WP multiplicities - A2BCD6E_aP11_2_i_d_a_6i_c:Ba-Bi-Mg-O-Yb, expected Ba2YbMgBiO12 to be Ba2YbMgBiO6" +mp-1182797,Ba2YbBiO6,-6.408098978,-2.5182810223,0.015532013,-0.018849224,GGA,P-1,A2BC6D_aP10_2_i_b_3i_e:Ba-Bi-O-Yb,,"Invalid WP multiplicities - A2BC6D_aP10_2_i_b_6i_e:Ba-Bi-O-Yb, expected Ba2YbBiO12 to be Ba2YbBiO6" +mp-545436,Ba2YbBiO6,-6.423630991,-2.5338130353,0.0,-0.034381237,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Yb,,A2BC6D_hR30_148_c_a_f_b:Ba-Bi-O-Yb +mp-1068042,Yb(MgBi)2,-3.029027548,-0.54479822,0.0,-0.1140293755,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Bi-Mg-Yb,,A2B2C_hP5_164_d_d_a:Bi-Mg-Yb +mp-1181182,Na4CuTe2O29,-4.7722050283,-0.3519302434,0.4119365865,0.4119365865,GGA,P-1,AB4C29D2_aP36_2_b_2i_d14i_i:Cu-Na-O-Te,36.0,AB4C29D2_aP36_2_b_2i_d14i_i:Cu-Na-O-Te +mp-1199423,Na4CuTe2O29,-4.8721122472000005,-0.4518374623,0.3120293676,0.3120293676,GGA,P-1,AB4C29D2_aP36_2_b_2i_d14i_i:Cu-Na-O-Te,36.0,AB4C29D2_aP36_2_b_2i_d14i_i:Cu-Na-O-Te +mp-551283,Na2Cu2TeO6,-5.4633759591,-1.4936575875,0.0046116685,0.0046116685,GGA,C2/m,A2B2C6D_mC22_12_g_h_ij_a:Cu-Na-O-Te,11.0,"Invalid WP multiplicities - A2B2C6D_mC22_12_g_h_2i2j_a:Cu-Na-O-Te, expected Na2Cu2TeO12 to be Na2Cu2TeO6" +mp-2218188,Na2MgCu2TeO6,-5.38769763,-1.6154324519,0.137081616,0.137081616,GGA,P-1,A2BC2D6E_aP12_2_i_a_i_3i_c:Cu-Mg-Na-O-Te,12.0,"Invalid WP multiplicities - A2BC2D6E_aP12_2_i_a_i_6i_c:Cu-Mg-Na-O-Te, expected Na2MgCu2TeO12 to be Na2MgCu2TeO6" +mp-554006,SrCaSiO4,-7.561385723,-3.4317905504,0.0186837735,0.0186837735,GGA,Pna2_1,AB4CD_oP84_33_3a_12a_3a_3a:Ca-O-Si-Sr,84.0,"Invalid WP multiplicities - AB4CD_oP84_33_7a_44a_8a_8a:Ca-O-Si-Sr, expected Sr8Ca7(Si2O11)4 to be SrCaSiO4" +mp-1217755,SrZnSi,-3.1831279967,-0.3916096322,0.0210796133,-0.0401858133,GGA,P-6m2,ABC_hP3_187_a_d_e:Si-Sr-Zn,3.0,ABC_hP3_187_a_d_e:Si-Sr-Zn +mp-9556,SrZnSi,-3.20420761,-0.4126892456,0.0,-0.0612654267,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Si-Sr-Zn,6.0,ABC_hP6_194_c_a_d:Si-Sr-Zn +mp-1218075,SrCaZnSi2O7,-7.3712475604,-3.1685563952,0.0088995457,0.0088995457,GGA,P2_1,AB7C2DE_mP24_4_a_7a_2a_a_a:Ca-O-Si-Sr-Zn,24.0,AB7C2DE_mP24_4_a_7a_2a_a_a:Ca-O-Si-Sr-Zn +mp-1191240,Sr2ZnSi2O7,-7.3586738725,-3.1823249095,0.0,-0.0149217192,GGA,P-42_1m,A7B2C2D_tP24_113_cef_e_e_a:O-Si-Sr-Zn,24.0,A7B2C2D_tP24_113_cef_e_e_a:O-Si-Sr-Zn +mp-1218390,Sr4Zn3Si5,-3.5146121225,-0.3759625564,0.01314042,0.01314042,GGA,P-6m2,A5B4C3_hP12_187_abch_2i_dg:Si-Sr-Zn,12.0,"Invalid WP multiplicities - A5B4C3_hP12_187_abch_3i_dg:Si-Sr-Zn, expected Sr6Zn3Si5 to be Sr4Zn3Si5" +mp-1218375,Sr2Zn5Si3,-2.891668876,-0.2963029713,0.0,-0.0204264486,GGA,P4mm,A3B2C5_tP10_99_a2b_ab_a2c:Si-Sr-Zn,10.0,"Invalid WP multiplicities - A3B2C5_tP10_99_a2b_ab_a4c:Si-Sr-Zn, expected Sr2(Zn3Si)3 to be Sr2Zn5Si3" +mp-2227598,BaNdMgMn2O5,-7.517950921,-2.3834632647,0.343334696,0.343334696,GGA+U,Pmm2,ABC2DE5_oP10_25_a_a_2d_a_2b2cd:Ba-Mg-Mn-Nd-O,10.0,ABC2DE5_oP10_25_a_a_2d_a_2b2cd:Ba-Mg-Mn-Nd-O +mp-2240159,BaNdMgMn2O5,-7.360754822,-2.2262671657,0.5005307950000001,0.5005307950000001,GGA+U,Pmm2,ABC2DE5_oP10_25_b_a_2c_b_2ac2d:Ba-Mg-Mn-Nd-O,10.0,ABC2DE5_oP10_25_b_a_2c_b_2ac2d:Ba-Mg-Mn-Nd-O +mp-2241093,BaNd2MgMn2O7,-7.899607514599999,-2.8221920209,0.1575777632,0.1575777632,GGA+U,Cm,ABC2D2E7_mC26_8_a_a_2a_2a_3a2b:Ba-Mg-Mn-Nd-O,,ABC2D2E7_mC26_8_a_a_2a_2a_3a2b:Ba-Mg-Mn-Nd-O +mp-2241425,BaNd2MgMn2O7,-7.5328190554,-2.4554035617,0.5243662224,0.5243662224,GGA+U,Immm,ABC2D2E7_oI26_71_a_c_e_e_be2f:Ba-Mg-Mn-Nd-O,13.0,"Invalid WP multiplicities - ABC2D2E7_oI26_71_a_c_e_e_b2e4f:Ba-Mg-Mn-Nd-O, expected BaNd2MgMn2O13 to be BaNd2MgMn2O7" +mp-2218912,BaNd2MgMn2O7,-7.7413064892,-2.6638909955,0.3158787886,0.3158787886,GGA+U,I-4m2,ABC2D2E7_tI26_119_a_c_e_e_be2f:Ba-Mg-Mn-Nd-O,13.0,"Invalid WP multiplicities - ABC2D2E7_tI26_119_a_c_e_e_b2e3f:Ba-Mg-Mn-Nd-O, expected BaNd2MgMn2O11 to be BaNd2MgMn2O7" +mp-2217652,BaNdMgMn2O6,-7.8087640791,-2.6913490542,0.1201781382,0.1201781382,GGA+U,Cm,ABC2DE6_mC22_8_a_a_2a_a_2a2b:Ba-Mg-Mn-Nd-O,11.0,"Invalid WP multiplicities - ABC2DE6_mC22_8_a_a_2a_a_2a3b:Ba-Mg-Mn-Nd-O, expected BaNdMgMn2O8 to be BaNdMgMn2O6" +mp-2217894,BaNdMgMn2O6,-7.3689113655,-2.2514963405,0.5600308518,0.5600308518,GGA+U,Pmmm,ABC2DE6_oP11_47_e_a_j_f_cdil:Ba-Mg-Mn-Nd-O,11.0,"Invalid WP multiplicities - ABC2DE6_oP11_47_e_a_j_f_cd2i2l:Ba-Mg-Mn-Nd-O, expected BaNdMgMn2O10 to be BaNdMgMn2O6" +mp-2217687,BaNdMgMn2O6,-7.37729183,-2.2598768051,0.5516503873,0.5516503873,GGA+U,Pmmm,ABC2DE6_oP11_47_f_a_j_e_cdil:Ba-Mg-Mn-Nd-O,11.0,"Invalid WP multiplicities - ABC2DE6_oP11_47_f_a_j_e_cd2i2l:Ba-Mg-Mn-Nd-O, expected BaNdMgMn2O10 to be BaNdMgMn2O6" +mp-2217716,BaNdMgMn2O6,-7.6708129136,-2.5533978887,0.2581293036,0.2581293036,GGA+U,P4mm,ABC2DE6_tP11_99_a_a_2b_a_2b2c:Ba-Mg-Mn-Nd-O,11.0,"Invalid WP multiplicities - ABC2DE6_tP11_99_a_a_2b_a_2b3c:Ba-Mg-Mn-Nd-O, expected BaNdMgMn2O8 to be BaNdMgMn2O6" +mp-1043286,CaCoSn2O7,-6.6223495495,-1.9169056983,0.1793618905,0.1793618905,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Co-O-Sn,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_3e_2e_17e_7e:Ca-Co-O-Sn, expected Ca3Co2Sn7O17 to be CaCoSn2O7" +mp-1200470,Ca3Co4Sn13,-4.614239168,-0.2855139213,0.0019643793,0.0019643793,GGA,Pm-3n,A3B4C13_cP40_223_c_e_ak:Ca-Co-Sn,40.0,A3B4C13_cP40_223_c_e_ak:Ca-Co-Sn +mp-19122,BaSr2Mn2(Si2O7)2,-8.0857829683,-3.1041783375,0.0020816437,0.0020816437,GGA+U,C2,AB2C14D4E2_mC46_5_a_ab_7c_2c_c:Ba-Mn-O-Si-Sr,23.0,"Invalid WP multiplicities - AB2C14D4E2_mC46_5_a_ab_8c_2c_c:Ba-Mn-O-Si-Sr, expected BaSr2Mn2(SiO4)4 to be BaSr2Mn2(Si2O7)2" +mp-1227347,BaSrSi4,-4.5228957725,-0.3046056869,0.0110130235,0.0110130235,GGA,C222_1,AB4C_oC24_20_a_2c_b:Ba-Si-Sr,12.0,"Invalid WP multiplicities - AB4C_oC24_20_a_6c_b:Ba-Si-Sr, expected BaSrSi12 to be BaSrSi4" +mp-1227506,BaSrSi4,-4.4830737683,-0.2647836828,0.0508350277,0.0508350277,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ba-Si-Sr,24.0,AB4C_oP24_62_c_2cd_c:Ba-Si-Sr +mp-1100434,BaSrSi,-2.8482805867,0.1629815544,0.4779410029,0.4779410029,GGA,F-43m,ABC_cF12_216_a_b_c:Ba-Si-Sr,3.0,ABC_cF12_216_a_b_c:Ba-Si-Sr +mp-1191740,Sr2MnSi2O7,-8.0460116554,-3.2111400523,0.0,-0.0123502146,GGA+U,P-42_1m,AB7C2D2_tP24_113_a_cef_e_e:Mn-O-Si-Sr,24.0,AB7C2D2_tP24_113_a_cef_e_e:Mn-O-Si-Sr +mp-631376,SrMn2Si,-5.8313276725000005,0.5283828444,0.8228455961000001,0.8228455961000001,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mn-Si-Sr,4.0,A2BC_cF16_216_ac_b_d:Mn-Si-Sr +mp-1218300,SrMn2(SiO5)2,-7.6688907297,-2.3134875823,0.2103156821,0.2103156821,GGA+U,P2_1/m,A2B10C2D_mP30_11_ad_2e4f_f_e:Mn-O-Si-Sr,30.0,"Invalid WP multiplicities - A2B10C2D_mP30_11_2a2c_2e10f_f_e:Mn-O-Si-Sr, expected SrMn4(SiO11)2 to be SrMn2(SiO5)2" +mp-1208671,SrMn2(SiO5)2,-7.6624515117,-2.3070483643,0.2167549001,0.2167549001,GGA+U,Cmcm,A2B10C2D_oC60_63_d_2c2fh_f_c:Mn-O-Si-Sr,30.0,A2B10C2D_oC60_63_d_2c2fh_f_c:Mn-O-Si-Sr +mp-1522517,NaSrCeFeO6,-7.148762833,-2.4392366951,0.122772137,0.122772137,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ce-Fe-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ce-Fe-Na-O-Sr +mp-1227838,BaNdFeCoO6,-7.531513359,-2.3369539945,0.0784512655,0.0784512655,GGA+U,P4mm,ABCDE6_tP10_99_b_a_a_b_2a2c:Ba-Co-Fe-Nd-O,10.0,ABCDE6_tP10_99_b_a_a_b_2a2c:Ba-Co-Fe-Nd-O +mp-1228516,Ba2Nd2Fe(CoO4)3,-7.3976698265,-2.2711956327,0.081605424,0.081605424,GGA+U,Amm2,A2B3CD2E12_oC40_38_e_3a_a_e_4a4b2d:Ba-Co-Fe-Nd-O,20.0,A2B3CD2E12_oC40_38_e_3a_a_e_4a4b2d:Ba-Co-Fe-Nd-O +mp-1228604,Ba2Nd2Fe3CoO12,-7.606298284,-2.3436537488,0.0961023446,0.0961023446,GGA+U,P-4m2,A2BC3D2E12_tP20_115_g_a_bcd_g_efhi:Ba-Co-Fe-Nd-O,20.0,"Invalid WP multiplicities - A2BC3D2E12_tP20_115_g_a_bcd_g_2e2f2h2i:Ba-Co-Fe-Nd-O, expected Ba2Nd2Fe3CoO24 to be Ba2Nd2Fe3CoO12" +mp-1220792,NaHoTi2O6,-8.583122402,-3.4455173556,0.011004992,0.011004992,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ho-Na-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_3a6b_b:Ho-Na-O-Ti, expected NaHoTi2O15 to be NaHoTi2O6" +mp-1221253,Na3HoTi2Nb2O12,-8.333718928,-3.1385267581,0.013370355,0.013370355,GGA,P1,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Ho-Na-Nb-O-Ti,20.0,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Ho-Na-Nb-O-Ti +mp-676988,Na3HoTi2Nb2O12,-8.337624516,-3.1424323461,0.009464767,0.009464767,GGA,Pmc2_1,AB3C2D12E2_oP40_26_a_bc_c_ab5c_c:Ho-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_oP40_26_a_bc_c_2a2b13c_c:Ho-Na-Nb-O-Ti, expected Na3HoTi2Nb2O30 to be Na3HoTi2Nb2O12" +mp-1210526,Na2HoNb5O15,-8.7498356765,-3.0135610971,0.0894376407,0.0894376407,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Ho-Na-Nb-O,46.0,AB2C5D15_tP46_127_a_g_cj_dhi2j:Ho-Na-Nb-O +mp-1233616,Ba6MgCo2(Sb2O9)2,-6.6430953852,-2.3564125773,0.1302358846,0.1302358846,GGA+U,P1,A6B2CD18E4_aP31_1_6a_2a_a_18a_4a:Ba-Co-Mg-O-Sb,31.0,A6B2CD18E4_aP31_1_6a_2a_a_18a_4a:Ba-Co-Mg-O-Sb +mp-2216927,Ba6MgCo2(Sb2O9)2,-6.6275227242,-2.3408399164,0.1458085456,0.1458085456,GGA+U,P1,A6B2CD18E4_aP31_1_6a_2a_a_18a_4a:Ba-Co-Mg-O-Sb,31.0,A6B2CD18E4_aP31_1_6a_2a_a_18a_4a:Ba-Co-Mg-O-Sb +mp-2216805,Ba6MgCo2(Sb2O9)2,-6.6373181629,-2.3506353551,0.1360131069,0.1360131069,GGA+U,Cm,A6B2CD18E4_mC62_8_6a_2a_a_6a6b_4a:Ba-Co-Mg-O-Sb,31.0,"Invalid WP multiplicities - A6B2CD18E4_mC62_8_6a_2a_a_6a8b_4a:Ba-Co-Mg-O-Sb, expected Ba6MgCo2(Sb2O11)2 to be Ba6MgCo2(Sb2O9)2" +mp-2217007,Ba6MgCo2(Sb2O9)2,-6.6269545745,-2.3402717667,0.1463766952,0.1463766952,GGA+U,Cm,A6B2CD18E4_mC62_8_6a_2a_a_6a6b_4a:Ba-Co-Mg-O-Sb,31.0,"Invalid WP multiplicities - A6B2CD18E4_mC62_8_6a_2a_a_6a10b_4a:Ba-Co-Mg-O-Sb, expected Ba6MgCo2(Sb2O13)2 to be Ba6MgCo2(Sb2O9)2" +mp-1045731,CaSbAs2SeO7,-6.2367520205,-1.772121155,0.2080847999,0.2080847999,GGA,I4_1/a,A2BC7DE_tI192_88_2f_f_7f_f_f:As-Ca-O-Sb-Se,96.0,"Invalid WP multiplicities - A2BC7DE_tI192_88_11f_f_51f_f_f:As-Ca-O-Sb-Se, expected CaSbAs11SeO51 to be CaSbAs2SeO7" +mp-1219504,Sb3TeClO6,-5.9305688818,-1.6524799236,0.0016665447,0.0016665447,GGA,Cm,AB6C3D_mC22_8_a_6a_3a_a:Cl-O-Sb-Te,11.0,AB6C3D_mC22_8_a_6a_3a_a:Cl-O-Sb-Te +mp-559379,SbTeClO3,-5.5488707829,-1.5553857951,0.0,-0.0044160319,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Sb-Te,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_4c4d_c_c:Cl-O-Sb-Te, expected SbTeClO12 to be SbTeClO3" +mp-1235589,LiSb3TeClO6,-5.6255894408,-1.5449309902,0.2085275887,0.2085275887,GGA,P1,ABC6D3E_aP12_1_a_a_6a_3a_a:Cl-Li-O-Sb-Te,12.0,ABC6D3E_aP12_1_a_a_6a_3a_a:Cl-Li-O-Sb-Te +mp-1235303,LiSb3TeClO6,-5.6128299333000005,-1.5321714827,0.2212870962,0.2212870962,GGA,Cm,ABC6D3E_mC24_8_a_a_6a_3a_a:Cl-Li-O-Sb-Te,12.0,ABC6D3E_mC24_8_a_a_6a_3a_a:Cl-Li-O-Sb-Te +mp-1520398,SrCaTbBiO6,-7.035880237,-2.8508721539,0.0,-0.0426317029,GGA,P-1,ABC6DE_aP20_2_ah_i_6i_i_be:Bi-Ca-O-Sr-Tb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_ah_i_12i_i_be:Bi-Ca-O-Sr-Tb, expected SrCaTbBiO12 to be SrCaTbBiO6" +mp-1520661,SrCaTbBiO6,-6.9682312215,-2.7832231384,0.0676490155,0.0250173126,GGA,P222,ABC6DE_oP40_16_u_abch_6u_defg_u:Bi-Ca-O-Sr-Tb,40.0,ABC6DE_oP40_16_u_abch_6u_defg_u:Bi-Ca-O-Sr-Tb +mp-1520449,SrCaTbBiO6,-6.861881829,-2.6768737459,0.173998408,0.1313667051,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Ca-O-Sr-Tb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Ca-O-Sr-Tb +mp-2217367,Ba2MgTi2O6,-7.5049393364,-2.8768169517,0.3708187868,0.3708187868,GGA,I4/mmm,A2BC6D2_tI22_139_e_a_dh_c:Ba-Mg-O-Ti,11.0,A2BC6D2_tI22_139_e_a_dh_c:Ba-Mg-O-Ti +mp-2217552,Ba2MgTi2O6,-7.6296894091,-3.0015670245,0.2460687141,0.2460687141,GGA,R3m,A2BC6D2_hR33_160_2a_a_2b_2a:Ba-Mg-O-Ti,11.0,"Invalid WP multiplicities - A2BC6D2_hR33_160_2a_a_4b_2a:Ba-Mg-O-Ti, expected Ba2MgTi2O12 to be Ba2MgTi2O6" +mp-2218802,Ba3MgTi2O7,-7.4512574185,-3.0070258891,0.2134663183,0.2134663183,GGA,Cm,A3BC7D2_mC26_8_ab_a_a3b_b:Ba-Mg-O-Ti,13.0,"Invalid WP multiplicities - A3BC7D2_mC26_8_a2b_a_a6b_b:Ba-Mg-O-Ti, expected Ba5MgTi2O13 to be Ba3MgTi2O7" +mp-2218525,Ba3MgTi2O7,-7.4848828623,-3.0406513329,0.1798408744,0.1798408744,GGA,Cm,A3BC7D2_mC26_8_3a_a_3a2b_2a:Ba-Mg-O-Ti,,"Invalid WP multiplicities - A3BC7D2_mC26_8_3a_a_3a3b_2a:Ba-Mg-O-Ti, expected Ba3MgTi2O9 to be Ba3MgTi2O7" +mp-1034138,BaMg14TiO16,-6.2784505944,-2.7982816245,0.2477408382,0.2477408382,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Ti, expected BaMg18TiO20 to be BaMg14TiO16" +mp-1034142,BaMg14TiO16,-6.2794069775,-2.7992380076,0.2467844551,0.2467844551,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Ti, expected BaMg30TiO32 to be BaMg14TiO16" +mp-1031392,BaMg6TiO8,-6.2355835363,-2.5487299771,0.4892746489,0.4892746489,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Ti, expected BaMg6TiO12 to be BaMg6TiO8" +mp-1031397,BaMg6TiO8,-6.2553624906,-2.5685089315000003,0.4694956945,0.4694956945,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Ti, expected BaMg6TiO12 to be BaMg6TiO8" +mp-2210610,BaMgTiO3,-7.094182625,-2.7183804349000003,0.2928980687,0.2928980687,GGA,Cm,ABC3D_mC12_8_a_a_ab_a:Ba-Mg-O-Ti,6.0,ABC3D_mC12_8_a_a_ab_a:Ba-Mg-O-Ti +mp-2210773,BaMgTiO3,-6.9163841783,-2.5405819883,0.4706965154,0.4706965154,GGA,P4mm,ABC3D_tP6_99_a_a_bc_b:Ba-Mg-O-Ti,6.0,ABC3D_tP6_99_a_a_bc_b:Ba-Mg-O-Ti +mp-2228114,BaMgTiO3,-7.073833565,-2.6980313749,0.3132471287,0.3132471287,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Ba-Mg-O-Ti,6.0,ABC3D_hR18_160_a_a_b_a:Ba-Mg-O-Ti +mp-1040392,BaMg30TiO32,-6.313365578,-2.9365389027,0.1134924783,0.1134924783,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Ti, expected BaMg90TiO80 to be BaMg30TiO32" +mp-1040389,BaMg30TiO32,-6.3133232992,-2.936496624,0.1135347571,0.1135347571,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Ti, expected BaMg110TiO72 to be BaMg30TiO32" +mp-1027872,BaMg14Zr,-1.9538311562,0.1005811106,0.1415738861,0.1415738861,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Zr, expected BaMg18Zr to be BaMg14Zr" +mp-1027855,BaMg14Zr,-1.9597649456,0.0946473213,0.1356400967,0.1356400967,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Zr, expected BaMg26Zr to be BaMg14Zr" +mp-2217619,Ba2MgZrTiO6,-7.5626356373,-2.8752215605,0.4218086893,0.4218086893,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Ti-Zr,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Ti-Zr, expected Ba2MgZrTiO12 to be Ba2MgZrTiO6" +mp-2217695,Ba2MgZrTiO6,-7.5321161655,-2.8447020887,0.4523281611,0.4523281611,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ti-Zr,11.0,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ti-Zr +mp-2241013,Ba2MgZrTiO6,-7.7656447236,-3.0782306469,0.2187996029,0.2187996029,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ti-Zr,11.0,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ti-Zr +mp-2228988,Ba4MgTi3O10,-7.6520748206,-3.0726557665,0.2341620556,0.2341620556,GGA,Cm,A4BC10D3_mC36_8_2b_a_2a4b_ab:Ba-Mg-O-Ti,18.0,A4BC10D3_aP18_1_4a_a_10a_3a:Ba-Mg-O-Ti +mp-2225318,Ba2MgTiO4,-6.8397542725000005,-2.6996946735,0.2987102823,0.2987102823,GGA,Pmmm,A2BC4D_oP8_47_k_b_agj_c:Ba-Mg-O-Ti,8.0,A2BC4D_oP8_47_k_b_agj_c:Ba-Mg-O-Ti +mp-2240575,Ba2MgTiO4,-6.966965635,-2.826906036,0.1714989198,0.1714989198,GGA,P4mm,A2BC4D_tP8_99_ab_a_abc_b:Ba-Mg-O-Ti,8.0,"Invalid WP multiplicities - A2BC4D_tP8_99_ab_a_ab2c_b:Ba-Mg-O-Ti, expected Ba2MgTiO6 to be Ba2MgTiO4" +mp-2222934,Ba2MgTiO4,-6.639625195,-2.499565596,0.4988393598,0.4988393598,GGA,P4/mmm,A2BC4D_tP8_123_g_a_fh_c:Ba-Mg-O-Ti,8.0,"Invalid WP multiplicities - A2BC4D_tP8_123_g_a_2fh_c:Ba-Mg-O-Ti, expected Ba2MgTiO6 to be Ba2MgTiO4" +mp-1046916,BaMgTi4O8,-8.4126727679,-3.078763286,0.2180957371,0.2180957371,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Ti,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Ti +mp-1022587,BaMg6Zr,-2.4095757431,0.0989687406,0.1542068293,0.1542068293,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_hP8_187_a_2j2k_d:Ba-Mg-Zr, expected BaMg12Zr to be BaMg6Zr" +mp-1022514,BaMg6Zr,-2.4001957712,0.1083487125,0.1635868012,0.1635868012,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ba-Mg-Zr,8.0,AB6C_tP8_123_a_fk_c:Ba-Mg-Zr +mp-1040991,CaCu2(BiO4)2,-5.8274154992,-1.4075307938,0.1955116665,0.1955116665,GGA,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:Bi-Ca-Cu-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_5e_e_6e_26e:Bi-Ca-Cu-O, expected CaCu6Bi5O26 to be CaCu2(BiO4)2" +mp-1044081,CaCuBiO5,-5.9853421738,-1.6504997692,0.0933109981,0.0933109981,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Cu-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Cu-O, expected CaCuBiO15 to be CaCuBiO5" +mp-1042499,CaCuBiO5,-5.8163694484,-1.4815270439,0.2622837234,0.2622837234,GGA,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Cu-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Cu-O, expected CaCuBiO31 to be CaCuBiO5" +mp-1521412,BaCaCuBiO6,-6.051636389,-1.8971961003,0.1800209467,0.1800209467,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Cu-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Cu-O +mp-1047760,CaCuBi2O7,-5.9015336214000005,-1.5003876406,0.1706912945,0.1706912945,GGA,P2/c,A2BCD7_mP66_13_3g_eg_eg_f10g:Bi-Ca-Cu-O,66.0,"Invalid WP multiplicities - A2BCD7_mP66_13_9g_2e3g_2e3g_2f38g:Bi-Ca-Cu-O, expected Ca4Cu4(Bi3O13)3 to be CaCuBi2O7" +mp-1042724,CaCu3(BiO3)4,-5.9275972925,-1.4763252452,0.090272587,0.090272587,GGA,Im-3,A4BC3D12_cI40_204_c_a_b_g:Bi-Ca-Cu-O,20.0,A4BC3D12_cI40_204_c_a_b_g:Bi-Ca-Cu-O +mp-1520035,CaNdFeSnO6,-7.437179706,-2.5438324415,0.1983329116,0.1983329116,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Nd-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Nd-O-Sn +mp-1221109,Nd4FeSn8,-5.1392270323,-0.5531358185,0.03644567,0.03644567,GGA,Pmm2,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Nd-Sn,13.0,AB4C8_oP13_25_a_abcd_2a2b2c2d:Fe-Nd-Sn +mp-21834,Nd6Fe13Sn,-7.2246327713,-0.0881961623,0.0036730959,0.0036730959,GGA,I4/mcm,A13B6C_tI80_140_dk2l_fl_a:Fe-Nd-Sn,40.0,"Invalid WP multiplicities - A13B6C_tI80_140_dk5l_2f3l_a:Fe-Nd-Sn, expected Nd16Fe25Sn to be Nd6Fe13Sn" +mp-1046189,Sr2TiCu2O7,-6.7656150646,-2.2573056277,0.1259216915,0.1259216915,GGA,Ima2,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Ti,24.0,A2B7C2D_oI48_46_c_b3c_c_b:Cu-O-Sr-Ti +mp-1147546,SrTiCuO4,-7.4540083379,-2.6724444829,0.1349733964,0.1349733964,GGA,P4/nmm,AB4CD_tP14_129_a_2cf_c_c:Cu-O-Sr-Ti,14.0,AB4CD_tP14_129_a_2cf_c_c:Cu-O-Sr-Ti +mp-1208604,SrTi4(CuO4)3,-7.9385660445,-2.6920987413,0.055302547,0.055302547,GGA,Im-3,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Sr-Ti,20.0,A3B12CD4_cI40_204_b_g_a_c:Cu-O-Sr-Ti +mp-1046756,Sr2TiAlCu2O7,-7.0280788404,-2.5784412195,0.1864660207,0.1864660207,GGA,Cc,AB2C7D2E_mC52_9_a_2a_7a_2a_a:Al-Cu-O-Sr-Ti,26.0,"Invalid WP multiplicities - AB2C7D2E_mC52_9_a_4a_13a_4a_a:Al-Cu-O-Sr-Ti, expected Sr4TiAlCu4O13 to be Sr2TiAlCu2O7" +mp-1249417,Sr2TiAlCu2O7,-7.0284623712,-2.5788247502,0.1860824899,0.1860824899,GGA,Ima2,AB2C7D2E_oI52_46_a_c_b3c_c_b:Al-Cu-O-Sr-Ti,26.0,AB2C7D2E_oI52_46_a_c_b3c_c_b:Al-Cu-O-Sr-Ti +mp-1260237,Mg3Si4(AgO7)2,-6.9428274815,-2.5332246018,0.0860726072,0.0860726072,GGA,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Ag-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Ag-Mg-O-Si, expected Mg3Si5AgO27 to be Mg3Si4(AgO7)2" +mp-1233835,MgSi2(AgO)8,-5.2666791663,-1.3358963333,0.1847158017,0.1847158017,GGA,P2,A8BC8D2_mP19_3_4e_a_4e_bc:Ag-Mg-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_mP19_3_6e_b_8e_ac:Ag-Mg-O-Si, expected MgSi2(Ag3O4)4 to be MgSi2(AgO)8" +mp-1233615,MgSi2(AgO)8,-5.2250925874,-1.2943097544,0.2263023806,0.2263023806,GGA,P-4,A8BC8D2_tP19_81_2h_a_2h_bc:Ag-Mg-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_tP19_81_3h_a_6h_bc:Ag-Mg-O-Si, expected MgSi2(AgO2)12 to be MgSi2(AgO)8" +mp-1094028,TiSiAg2O5,-7.163852555,-2.306145265,0.0583538722,0.0583538722,GGA,P4/nmm,A2B5CD_tP18_129_d_ci_b_c:Ag-O-Si-Ti,18.0,A2B5CD_tP18_129_d_ci_b_c:Ag-O-Si-Ti +mp-2232007,MgTi2Si2(Ag2O5)2,-6.9571412963,-2.2708775453,0.2551242654,0.2551242654,GGA,Cm,A4BC10D2E2_mC38_8_2ab_a_2a4b_b_2a:Ag-Mg-O-Si-Ti,19.0,"Invalid WP multiplicities - A4BC10D2E2_mC38_8_2ab_a_2a8b_b_2a:Ag-Mg-O-Si-Ti, expected MgTi2Si2(Ag2O9)2 to be MgTi2Si2(Ag2O5)2" +mp-2230649,MgTi2Si2(Ag2O5)2,-6.7726656953,-2.0864019443,0.4395998664,0.4395998664,GGA,P4mm,A4BC10D2E2_tP19_99_d_a_abef_c_ab:Ag-Mg-O-Si-Ti,19.0,"Invalid WP multiplicities - A4BC10D2E2_tP19_99_d_a_ab2ef_c_ab:Ag-Mg-O-Si-Ti, expected MgTi2Si2(Ag2O7)2 to be MgTi2Si2(Ag2O5)2" +mp-2230127,MgTi2Si2(Ag2O5)2,-6.8420170532,-2.1557533021,0.3702485085,0.3702485085,GGA,P-4m2,A4BC10D2E2_tP19_115_i_c_gjk_ab_g:Ag-Mg-O-Si-Ti,19.0,"Invalid WP multiplicities - A4BC10D2E2_tP19_115_i_c_g2j2k_ab_g:Ag-Mg-O-Si-Ti, expected MgTi2Si2(Ag2O9)2 to be MgTi2Si2(Ag2O5)2" +mp-1154476,Mg3Si3(AgO6)2,-6.6246069447,-2.3194984057,0.2024885713,0.2024885713,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Ag-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Ag-Mg-O-Si +mp-1516655,BaCeEuHfO6,-9.6216710935,-3.8470323742,0.0,-0.1452762074,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Ce-Eu-Hf-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Ce-Eu-Hf-O, expected BaCeEu2HfO12 to be BaCeEuHfO6" +mp-1516530,BaCeEuHfO6,-9.380179404,-3.6055406848,0.2414916895,0.0962154821,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Hf-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-Eu-Hf-O +mp-17297,Na2GeF6,-5.0723598389,-2.9904762559,0.0,-0.1900547111,GGA,P321,A6BC2_hP27_150_3g_ad_ef:F-Ge-Na,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_4g_ad_ef:F-Ge-Na, expected Na2GeF8 to be Na2GeF6" +mp-17438,Na2GeF6,-5.0216253585,-2.9397417755,0.0507344804,-0.1393202307,GGA,P-3m1,A6BC2_hP27_164_3i_ad_g:F-Ge-Na,27.0,"Invalid WP multiplicities - A6BC2_hP27_164_4i_ad_g:F-Ge-Na, expected Na2GeF8 to be Na2GeF6" +mp-1227036,Cs2Na2SnGeF12,-5.0205326269,-3.0201880352,0.0057660239,0.0057660239,GGA,Pmc2_1,A2B12CD2E_oP36_26_c_4a4b2c_a_ab_b:Cs-F-Ge-Na-Sn,36.0,"Invalid WP multiplicities - A2B12CD2E_oP36_26_c_4a8b6c_b_a2b_a:Cs-F-Ge-Na-Sn, expected Cs2Na3SnGeF24 to be Cs2Na2SnGeF12" +mp-17973,Cs3GeF7,-4.8963748077,-3.0155031947,0.0022951623,0.0022951623,GGA,P4/mbm,A3B7C_tP22_127_bg_ahk_c:Cs-F-Ge,22.0,"Invalid WP multiplicities - A3B7C_tP22_127_bg_ah2k_c:Cs-F-Ge, expected Cs3GeF11 to be Cs3GeF7" +mp-8217,Cs2GeF6,-5.0437022511,-3.0567348729,0.0,-0.1015196889,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Ge,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Ge +mp-14380,CsNaSnF6,-4.992422246,-3.0261585431,0.0,-0.0056391124,GGA,Pbcn,AB6CD_oP72_60_2c_6d_d_d:Cs-F-Na-Sn,72.0,"Invalid WP multiplicities - AB6CD_oP72_60_3c_9d_d_d:Cs-F-Na-Sn, expected Cs3Na2Sn2F18 to be CsNaSnF6" +mp-645945,Na12SnGe8,-2.8615538174,-0.1537396166,0.0,-0.0007910238,GGA,P4_12_12,A8B12C_tP168_92_8b_12b_2a:Ge-Na-Sn,168.0,"Invalid WP multiplicities - A8B12C_tP168_92_60b_90b_3a:Ge-Na-Sn, expected Na60SnGe40 to be Na12SnGe8" +mp-1228227,Ba4PrEr(Cu3O7)2,-6.4316215827,-2.1672598018,0.034992465,0.034992465,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Er-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Er-O-Pr, expected Ba8PrEr(Cu5O13)2 to be Ba4PrEr(Cu3O7)2" +mp-683320,Sr2DyGaCu2O7,-5.3297225035,-1.1882529582,1.3294613063,1.3294613063,GGA,P1,A2BCD7E2_aP26_1_4a_2a_2a_14a_4a:Cu-Dy-Ga-O-Sr,26.0,A2BCD7E2_aP26_1_4a_2a_2a_14a_4a:Cu-Dy-Ga-O-Sr +mp-653925,Sr2DyGaCu2O7,-6.6406262985,-2.4991567532,0.0185575113,0.0185575113,GGA,Ima2,A2BCD7E2_oI52_46_c_a_b_b3c_c:Cu-Dy-Ga-O-Sr,26.0,"Invalid WP multiplicities - A2BCD7E2_oI52_46_c_a_b_2b10c_c:Cu-Dy-Ga-O-Sr, expected Sr2DyGa(CuO11)2 to be Sr2DyGaCu2O7" +mp-1225663,DyGaCu,-4.4131661833,-0.5018030058,0.0,-0.0133606867,GGA,C2/m,ABC_mC12_12_i_i_i:Cu-Dy-Ga,6.0,ABC_mC12_12_i_i_i:Cu-Dy-Ga +mp-1225660,Dy3(Ga2Cu)2,-4.35185787,-0.5595069867,0.0061996978,0.0061996978,GGA,Cm,A2B3C4_mC36_8_4a_6a_8a:Cu-Dy-Ga,18.0,A2B3C4_mC36_8_4a_6a_8a:Cu-Dy-Ga +mp-1225427,Dy2GaCu3,-4.464491355,-0.3746097362,0.0112967217,0.0112967217,GGA,Cm,A3B2C_mC12_8_3a_2a_a:Cu-Dy-Ga,6.0,A3B2C_mC12_8_3a_2a_a:Cu-Dy-Ga +mp-1225592,DyGa3Cu,-4.0153588,-0.4573024845,0.0,-0.015843014,GGA,I-4m2,ABC3_tI10_119_a_c_bf:Cu-Dy-Ga,5.0,ABC3_tI10_119_a_c_bf:Cu-Dy-Ga +mp-1189362,Dy2Ga5Cu12,-4.0840193211,-0.2132543825,0.0153477216,0.0153477216,GGA,R-3m,A12B2C5_hR57_166_fh_c_cd:Cu-Dy-Ga,19.0,A12B2C5_hR57_166_fh_c_cd:Cu-Dy-Ga +mp-568354,DyGa2Cu3,-4.1380794183,-0.3113129358,0.0190783608,0.0190783608,GGA,P6/mmm,A3BC2_hP6_191_g_a_c:Cu-Dy-Ga,6.0,A3BC2_hP6_191_g_a_c:Cu-Dy-Ga +mp-1225325,Dy2Ga3Cu,-4.33050326,-0.5976585237,0.0,-0.0173888417,GGA,P3m1,AB2C3_hP6_156_a_2b_a2c:Cu-Dy-Ga,6.0,AB2C3_hP6_156_a_2b_a2c:Cu-Dy-Ga +mp-1218439,Sr4TlCu2BiO10,-5.9856410178,-2.0619517654,0.0335601735,0.0335601735,GGA,I4/mmm,AB2C10D4E_tI36_139_a_e_c2ef_g_b:Bi-Cu-O-Sr-Tl,18.0,"Invalid WP multiplicities - AB2C10D4E_tI36_139_a_e_c3ef_g_b:Bi-Cu-O-Sr-Tl, expected Sr4TlCu2BiO12 to be Sr4TlCu2BiO10" +mp-1046512,Ba2Ca2Tl2Ni3O10,-6.0224421789,-1.8444562271,0.1684758462,0.1684758462,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Ni-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Ni-O-Tl +mp-1233193,CaTl4(NiO3)4,-5.5507263476,-1.0775366466,0.2349246081,0.2349246081,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl +mp-1233608,CaTl4(NiO3)4,-5.5467136981,-1.0735239971,0.2389372576,0.2389372576,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl +mp-1234886,CaTl4(NiO3)4,-5.567788769,-1.094599068,0.2178621867,0.2178621867,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Ni-O-Tl +mp-1048352,Ba2Ca3Tl2(NiO3)4,-6.0811044913,-1.8610676622,0.1953003101,0.1953003101,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Ni-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Ni-O-Tl, expected Ba2Ca3Tl2(Ni3O16)2 to be Ba2Ca3Tl2(NiO3)4" +mp-1227474,BaSrSmCu3O7,-6.4341395385,-2.1840244987,0.0324392215,0.0324392215,GGA,Pmm2,AB3C7DE_oP13_25_a_3d_2b3c2d_a_a:Ba-Cu-O-Sm-Sr,13.0,AB3C7DE_oP13_25_a_3d_2b3c2d_a_a:Ba-Cu-O-Sm-Sr +mp-1229001,Ba8Sr2Sm5(Cu3O7)5,-6.4346129938,-2.1739065008,0.0336911397,0.0336911397,GGA,Pmm2,A8B15C35D5E2_oP65_25_8a_15d_10b15c10d_5a_2a:Ba-Cu-O-Sm-Sr,65.0,A8B15C35D5E2_oP65_25_8a_15d_10b15c10d_5a_2a:Ba-Cu-O-Sm-Sr +mp-1228212,Ba3SrSm2(CuO2)6,-6.4254450017,-2.2238160392,0.0150884413,0.0150884413,GGA,I4mm,A3B6C12D2E_tI48_107_3a_3b_2b2c_2a_a:Ba-Cu-O-Sm-Sr,24.0,A3B6C12D2E_tI48_107_3a_3b_2b2c_2a_a:Ba-Cu-O-Sm-Sr +mp-1227431,BaSrSm(CuO2)3,-6.4179788575,-2.2259116237,0.0263714128,0.0263714128,GGA,P4mm,AB3C6DE_tP12_99_a_3b_2b2c_a_a:Ba-Cu-O-Sm-Sr,12.0,AB3C6DE_tP12_99_a_3b_2b2c_a_a:Ba-Cu-O-Sm-Sr +mp-1521128,BaCaDySbO6,-7.241578868,-3.0075293513,0.0852281335,0.0852281335,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Dy-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Dy-O-Sb +mp-2241402,Ba2HoMgCu3O7,-6.1532134743,-2.0857077751,0.2848508003,0.2848508003,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-Ho-Mg-O,14.0,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-Ho-Mg-O +mp-2240973,Ba2HoMgCu3O7,-6.1149548207,-2.0474491215,0.3231094539,0.3231094539,GGA,Pmm2,A2B3CDE7_oP14_25_e_bf_c_a_be2f:Ba-Cu-Ho-Mg-O,14.0,A2B3CDE7_oP14_25_e_bf_c_a_be2f:Ba-Cu-Ho-Mg-O +mp-2233244,Ba2HoMg(CuO2)4,-6.1198643494,-1.9954284012,0.2032245462,0.2032245462,GGA,P2/m,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Ho-Mg-O,16.0,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Ho-Mg-O +mp-2217708,Ba2GdMgSbO6,-7.48060422,-2.6330146130000003,0.368848698,0.368848698,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Gd-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Gd-Mg-O-Sb, expected Ba2GdMgSbO10 to be Ba2GdMgSbO6" +mp-2242068,Ba2GdMgSbO6,-7.3683751527,-2.5207855457,0.4810777652,0.4810777652,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Gd-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e3l_b:Ba-Gd-Mg-O-Sb, expected Ba2GdMgSbO16 to be Ba2GdMgSbO6" +mp-1214652,Ba2LaCoCu2O7,-6.7280952946,-2.2121330563,0.0247075452,0.0247075452,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-La-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-La-O +mp-2217343,Ba2EuMgSbO6,-6.9089545109,-2.4085576711,0.4284856258,0.4284856258,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Eu-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Eu-Mg-O-Sb, expected Ba2EuMgSbO12 to be Ba2EuMgSbO6" +mp-1205686,Ba2PrTaO6,-8.491969567,-3.4762930137,0.0,-0.0211992151,GGA,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pr-Ta,10.0,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pr-Ta +mp-1205670,Ba2PrTaO6,-8.476449687,-3.4607731338,0.01551988,-0.0056793351,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ta,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ta +mp-1214485,Ba3Ta2CoO9,-8.5745019553,-3.1677688703,0.0,-0.0404448919,GGA+U,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Co-O-Ta,15.0,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Co-O-Ta +mp-1228585,Ba4Ta10CoO30,-9.6031746376,-3.3417822999,0.0,-0.0049607303,GGA+U,Imm2,A4BC30D10_oI90_44_2a2b_a_ab2c4d4e_c2e:Ba-Co-O-Ta,45.0,"Invalid WP multiplicities - A4BC30D10_oI90_44_2a2b_a_ab2c8d4e_c2e:Ba-Co-O-Ta, expected Ba4Ta10CoO38 to be Ba4Ta10CoO30" +mp-1228308,Ba2TaCoO6,-8.064358838,-2.8159410808,0.0732958653,0.0732958653,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-Ta +mp-1227898,BaPrTaCoO6,-8.531956514,-2.9973456753,0.1211825,0.1211825,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Ba-Co-O-Pr-Ta,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Ba-Co-O-Pr-Ta +mp-1520563,NdEuMnFeO6,-8.824884238,-2.5911524378,0.1273106992,0.1273106992,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Mn-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Mn-Nd-O +mp-1517268,BaCaCrSnO6,-7.197087381,-2.4703547398,0.1887989105,0.1887989105,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Cr-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Cr-O-Sn +mp-1217544,TbFeNi4,-6.2871360717,-0.2496470667,0.0523382183,0.0523382183,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Fe-Ni-Tb,6.0,AB4C_hP6_187_a_ck_e:Fe-Ni-Tb +mp-1218497,Sr4Mn2Cu3(SeO)4,-6.04436127,-1.8590656722,0.0021255169,0.0021255169,GGA+U,C222,A3B2C4D4E4_oC34_21_abc_k_ef_l_l:Cu-Mn-O-Se-Sr,17.0,"Invalid WP multiplicities - A3B2C4D4E4_oC34_21_abc_k_2e2f_l_l:Cu-Mn-O-Se-Sr, expected Sr4Mn2Cu3(SeO2)4 to be Sr4Mn2Cu3(SeO)4" +mp-1201675,Sr2Mn2SeO4,-7.4030812028,-2.4046718902,0.0,-0.0326889332,GGA+U,Pnma,A2B4CD2_oP36_62_2c_2d_c_d:Mn-O-Se-Sr,36.0,A2B4CD2_oP36_62_2c_2d_c_d:Mn-O-Se-Sr +mp-1221686,MnCu(SeO3)2,-6.322041509,-1.3287237905,0.0579233258,0.0579233258,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Cu-Mn-O-Se,20.0,ABC6D2_mP20_14_a_b_3e_e:Cu-Mn-O-Se +mp-1218663,Sr8Mn6Cu4Se4O15,-6.8480375257,-2.1705012381,0.0085715572,0.0085715572,GGA+U,C2/m,A4B6C15D4E8_mC74_12_gh_ij_abc2g2hj_j_2j:Cu-Mn-O-Se-Sr,37.0,"Invalid WP multiplicities - A4B6C15D4E8_mC74_12_2g2h_ij_abc4g4hj_j_2j:Cu-Mn-O-Se-Sr, expected Sr8Mn6Cu8Se4O23 to be Sr8Mn6Cu4Se4O15" +mp-1522521,SrMn(SeO3)4,-5.9017432094,-1.2242199211,0.4000099897,0.4000099897,GGA+U,Amm2,AB12C4D_oC36_38_a_2cdef_f_b:Mn-O-Se-Sr,18.0,"Invalid WP multiplicities - AB12C4D_oC36_38_a_3c2d2ef_f_b:Mn-O-Se-Sr, expected SrMn(Se2O9)2 to be SrMn(SeO3)4" +mp-1221852,Mn3Cu(SeO3)4,-6.722691198,-1.4762330484,0.0429121651,0.0429121651,GGA+U,P-1,AB3C12D4_aP20_2_a_beh_6i_2i:Cu-Mn-O-Se,20.0,"Invalid WP multiplicities - AB3C12D4_aP20_2_a_beh_12i_4i:Cu-Mn-O-Se, expected Mn3Cu(SeO3)8 to be Mn3Cu(SeO3)4" +mp-1221764,MnCu3(SeO3)4,-5.930156167,-1.1899788796,0.054519969,0.054519969,GGA+U,P-1,A3BC12D4_aP20_2_abe_h_6i_2i:Cu-Mn-O-Se,20.0,"Invalid WP multiplicities - A3BC12D4_aP20_2_abe_h_12i_4i:Cu-Mn-O-Se, expected MnCu3(SeO3)8 to be MnCu3(SeO3)4" +mp-1341944,Ca2TaFeO6,-8.439229898,-3.0373168113,0.0050463263,0.0050463263,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Fe-O-Ta,20.0,"Invalid WP multiplicities - A2BC6D_mP20_11_3e_a_4e7f_c:Ca-Fe-O-Ta, expected Ca3TaFeO18 to be Ca2TaFeO6" +mp-1043970,CaLaTaFeO6,-8.9192984668,-3.2243446575,0.0,-0.0104469386,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Ta,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Ta +mp-1046246,Ca2Ta2FeO8,-8.9359019042,-3.1074183719,0.0701752241,0.0701752241,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Ca-Fe-O-Ta,26.0,A2BC8D2_mC52_15_f_e_4f_f:Ca-Fe-O-Ta +mp-1043066,Ca3Ta6(FeO6)4,-9.0957826992,-2.8859427173,0.1176867212,0.1176867212,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Ca-Fe-O-Ta,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_13i_5i:Ca-Fe-O-Ta, expected Ca3Ta10(Fe2O13)2 to be Ca3Ta6(FeO6)4" +mp-1379329,Ca3Ta6(FeO6)4,-6.4013331127,-0.1914931308,2.8121363077,2.8121363077,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Ca-Fe-O-Ta,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_13i_5i:Ca-Fe-O-Ta, expected Ca3Ta10(Fe2O13)2 to be Ca3Ta6(FeO6)4" +mp-1522620,BaSrSmFeO6,-7.276288261,-2.6285674604,0.0802089324,0.0802089324,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Fe-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Fe-O-Sm-Sr +mp-1523037,CaSmTi4O12,-8.5728215333,-3.146909388,0.1547328396,0.1547328396,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Ca-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Ca-O-Sm-Ti, expected CaSmTi4O18 to be CaSmTi4O12" +mp-764765,Li4Nb3Ni3(SbO8)2,-7.3065979382,-2.2107037065,0.1060298973,0.1060298973,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Nb-Ni-O-Sb, expected Li4Nb3Ni3(SbO10)2 to be Li4Nb3Ni3(SbO8)2" +mp-1195316,SmFeGe2O7,-7.6515505118,-2.4641428724,0.0,-0.0031469838,GGA+U,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Fe-Ge-O-Sm,44.0,AB2C7D_mP44_14_e_2e_7e_e:Fe-Ge-O-Sm +mp-1206145,SmFeGe2,-6.09790575,-0.4892399862,0.0444809303,0.0444809303,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Fe-Ge-Sm,8.0,AB2C_oC16_63_c_2c_c:Fe-Ge-Sm +mp-22349,Sm(FeGe)2,-6.62912604,-0.448189187,0.0,-0.0208824918,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Fe-Ge-Sm,5.0,A2B2C_tI10_139_d_e_a:Fe-Ge-Sm +mp-1219389,Sm2FeGe4,-5.7942033771,-0.5943026771000001,0.000512332,0.000512332,GGA,Amm2,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Sm,7.0,AB4C2_oC14_38_a_2a2b_ab:Fe-Ge-Sm +mp-1221081,NaDy3Ti2(SbO7)2,-8.0746554868,-3.1453139284,0.0050449989,0.0015289648,GGA,C2/m,A3BC14D2E2_mC44_12_af_c_3i2j_e_bd:Dy-Na-O-Sb-Ti,22.0,"Invalid WP multiplicities - A3BC14D2E2_mC44_12_ae_c_5i6j_f_bd:Dy-Na-O-Sb-Ti, expected NaDy3Ti2(SbO17)2 to be NaDy3Ti2(SbO7)2" +mp-40478,NaDy3Ti2(SbO7)2,-8.0797004857,-3.1503589273,0.0,-0.0035160341,GGA,P2/c,A3BC14D2E2_mP44_13_aef_c_7g_be_df:Dy-Na-O-Sb-Ti,44.0,"Invalid WP multiplicities - A3BC14D2E2_mP44_13_2a2e2f_c_26g_2b2e_2d2f:Dy-Na-O-Sb-Ti, expected NaDy6Ti4(SbO13)4 to be NaDy3Ti2(SbO7)2" +mp-1517850,SrNdTiNbO6,-8.70326064,-3.289803619,0.1587018225,0.1587018225,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Nb-Nd-O-Sr-Ti,,ABC6DE_cF40_216_a_c_f_d_b:Nb-Nd-O-Sr-Ti +mp-1522682,NaSrTiBiO6,-6.901429596,-2.4586163799,0.115276026,0.115276026,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Ti,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-Ti +mp-1664776,Li4Mn3Nb3(SbO8)2,-7.864479715,-2.4062413463,0.0799798662,0.0799798662,GGA+U,P1,A4B3C3D16E2_aP28_1_4a_3a_3a_16a_2a:Li-Mn-Nb-O-Sb,28.0,A4B3C3D16E2_aP28_1_4a_3a_3a_16a_2a:Li-Mn-Nb-O-Sb +mp-755418,Li4Mn3Nb3(SbO8)2,-7.8583778579,-2.4001394892,0.0860817234,0.0860817234,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Nb-O-Sb,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Nb-O-Sb, expected Li4Mn3Nb3(SbO10)2 to be Li4Mn3Nb3(SbO8)2" +mp-867905,LiLa2Ru,-5.386296295,-0.1224613908,0.0781113845,0.0781113845,GGA,Fm-3m,A2BC_cF16_225_c_a_b:La-Li-Ru,4.0,A2BC_cF16_225_c_a_b:La-Li-Ru +mp-6644,LiLa2RuO6,-7.9366468095,-2.8630996211,0.0,-0.0318957518,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Li-O-Ru,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_4e_b:La-Li-O-Ru, expected LiLa2RuO8 to be LiLa2RuO6" +mp-1173277,Sr2LiLa2RuO8,-7.4125258166,-2.8405375157,0.1168672421,0.1168672421,GGA,P1,A2BC8DE2_aP56_1_8a_4a_32a_4a_8a:La-Li-O-Ru-Sr,56.0,A2BC8DE2_aP56_1_8a_4a_32a_4a_8a:La-Li-O-Ru-Sr +mp-1518737,BaDy(NiO3)4,-6.0046302,-1.0598205869,0.4130977889,0.4130977889,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Dy-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Dy-Ni-O, expected BaDy(NiO4)4 to be BaDy(NiO3)4" +mp-19416,BaDy2NiO5,-7.7566376611,-3.1292900104,0.0061100117,0.0061100117,GGA+U,Immm,AB2CD5_oI18_71_a_f_b_cm:Ba-Dy-Ni-O,9.0,AB2CD5_oI18_71_a_f_b_cm:Ba-Dy-Ni-O +mp-1228235,Ba4Dy2Cu6NiO15,-6.4641455257,-2.126103354,0.0226086034,0.0226086034,GGA+U,Amm2,A4B6C2DE15_oC56_38_4a_6b_2a_b_5a10b:Ba-Cu-Dy-Ni-O,28.0,A4B6C2DE15_oC56_38_4a_6b_2a_b_5a10b:Ba-Cu-Dy-Ni-O +mp-1399447,MgTiF6,-6.4212209762,-3.8006402423,0.0,-0.0595573388,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Ti,8.0,A6BC_hR24_148_f_a_b:F-Mg-Ti +mp-1041239,BaMgTiF7,-6.330391312,-3.8508813341,0.015667747,0.015667747,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-Ti,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-Ti, expected BaMgTiF23 to be BaMgTiF7" +mp-1360674,Ba2MgTi2CuF14,-6.194153118,-3.5896968091,0.16598878,0.16598878,GGA,C2/c,A2BC14DE2_mC80_15_f_a_7f_e_f:Ba-Cu-F-Mg-Ti,40.0,"Invalid WP multiplicities - A2BC14DE2_mC80_15_f_c_24f_e_f:Ba-Cu-F-Mg-Ti, expected Ba2MgTi2CuF48 to be Ba2MgTi2CuF14" +mp-1410270,MgTiF4,-6.196230915,-3.3392829256,0.2071236154,0.2071236154,GGA,P4/mmm,A4BC_tP6_123_i_a_d:F-Mg-Ti,6.0,A4BC_tP6_123_i_a_d:F-Mg-Ti +mp-1017171,RbBaMg6,-1.3760674831,0.1865811809,0.2418192696,0.2418192696,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Rb, expected RbBaMg12 to be RbBaMg6" +mp-1017192,RbBaMg6,-1.3373774269,0.2252712372,0.2805093259,0.2805093259,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Rb, expected RbBaMg12 to be RbBaMg6" +mp-1098328,RbMg6Sb,-1.8177975375,0.0211044141,0.1943041355,0.1943041355,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sb,8.0,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sb +mp-1100155,RbMg6Sb,-1.7236110562,0.1152908953,0.2884906167,0.2884906167,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sb,8.0,A6BC_oC16_38_2bde_a_a:Mg-Rb-Sb +mp-1100156,RbMg6Sb,-1.7480820638,0.0908198878,0.2640196092,0.2640196092,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Sb,8.0,A6BC_oC16_38_abde_a_b:Mg-Rb-Sb +mp-1026626,RbBaMg14,-1.420909,0.160555357,0.1997277461,0.1997277461,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Rb, expected RbBaMg18 to be RbBaMg14" +mp-1026610,RbBaMg14,-1.4201754888,0.1612888683,0.2004612573,0.2004612573,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Rb, expected RbBaMg26 to be RbBaMg14" +mp-1039609,RbMg30SbO32,-6.1612377345,-2.8579256162,0.1218002723,0.1218002723,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Rb-Sb,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Rb-Sb, expected RbMg110SbO72 to be RbMg30SbO32" +mp-1039623,RbMg30SbO32,-6.1532734491,-2.8499613307,0.1297645578,0.1297645578,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Rb-Sb,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Rb-Sb, expected RbMg90SbO80 to be RbMg30SbO32" +mp-1517377,SrCaNdFeO6,-7.185092915,-2.5237534907,0.1978960535,0.1978960535,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nd-O-Sr +mp-1517289,SrCaNdFeO6,-7.221255488,-2.5599160637,0.1617334805,0.1617334805,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ca-Fe-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ca-Fe-Nd-O-Sr +mp-1519567,SrCaZrFeO6,-7.883042905,-2.8437481609,0.1038876622,0.1038876622,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Sr-Zr +mp-758187,Li4Ni3(SnO5)2,-6.0894526382,-1.7493404103,0.0455995093,0.0455995093,GGA+U,P-1,A4B3C10D2_aP38_2_4i_ae2i_10i_2i:Li-Ni-O-Sn,38.0,"Invalid WP multiplicities - A4B3C10D2_aP38_2_6i_ae2i_16i_2i:Li-Ni-O-Sn, expected Li6Ni3(SnO8)2 to be Li4Ni3(SnO5)2" +mp-755672,Li4Ni5SnO12,-5.9704206523,-1.4292292315,0.063000892,0.063000892,GGA+U,C2/m,A4B5C12D_mC44_12_j_agh_2i2j_d:Li-Ni-O-Sn,22.0,"Invalid WP multiplicities - A4B5C12D_mC44_12_j_a2gh_4i5j_c:Li-Ni-O-Sn, expected Li4Ni7SnO28 to be Li4Ni5SnO12" +mp-774703,Li4Nb3Ni3(SnO8)2,-7.3528303736,-2.2654668123,0.0869629383,0.0869629383,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-Sn,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Nb-Ni-O-Sn, expected Li4Nb3Ni3(SnO10)2 to be Li4Nb3Ni3(SnO8)2" +mp-1312304,Li5Ni3(SnO5)2,-6.0866859297,-1.86813317,0.0105303717,0.0105303717,GGA+U,P1,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Ni-O-Sn,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_1_5a_6a_10a_2a:Li-Ni-O-Sn, expected Li5Ni6(SnO5)2 to be Li5Ni3(SnO5)2" +mp-755306,Li5Ni3(SnO5)2,-6.0852028377,-1.866650078,0.0120134637,0.0120134637,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_di_5i_i:Li-Ni-O-Sn,40.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b2i_2d2i_5i_i:Li-Ni-O-Sn, expected Li5Ni6(SnO5)2 to be Li5Ni3(SnO5)2" +mp-1367663,Li5Ni3(SnO5)2,-4.391567277,-0.1730145172,1.7056490244,1.7056490244,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ei_5i_i:Li-Ni-O-Sn,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_ei_9i_i:Li-Ni-O-Sn, expected Li9Ni3(SnO9)2 to be Li5Ni3(SnO5)2" +mp-758463,LiNiSnO4,-6.1891012114,-1.6911888905,0.0687731489,0.0687731489,GGA+U,P2/m,ABC4D_mP7_10_d_b_mn_c:Li-Ni-O-Sn,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_e_c_m2n_b:Li-Ni-O-Sn, expected LiNiSnO6 to be LiNiSnO4" +mp-753935,LiNiSnO4,-6.1872957821,-1.6893834612,0.0705785782,0.0705785782,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_b:Li-Ni-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_3h4i_b:Li-Ni-O-Sn, expected LiNiSnO14 to be LiNiSnO4" +mp-756797,LiNiSnO4,-6.2509790379,-1.7530667169,0.0068953224,0.0068953224,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h2i_c:Li-Ni-O-Sn, expected LiNiSnO10 to be LiNiSnO4" +mp-755249,Li2NiSnO4,-6.1356388869,-1.9613502477,0.0123223178,0.0123223178,GGA+U,P2/m,A2BC4D_mP8_10_bc_d_mn_h:Li-Ni-O-Sn,32.0,A2BC4D_mP8_10_bc_e_mn_g:Li-Ni-O-Sn +mp-758684,Li2NiSnO4,-6.1355943897,-1.9613057505,0.012366815,0.012366815,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-Sn,32.0,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-Sn +mp-773418,Li2NiSnO4,-6.1345109944,-1.9602223552,0.0134502103,0.0134502103,GGA+U,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Li-Ni-O-Sn,32.0,A2BC4D_tI16_119_ac_b_ef_d:Li-Ni-O-Sn +mp-760315,Li4Nb2Ni3Sn3O16,-7.0814658118,-2.2116641499,0.0215704601,0.0215704601,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Nb-Ni-O-Sn,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Nb-Ni-O-Sn, expected Li4Nb2Ni3Sn3O20 to be Li4Nb2Ni3Sn3O16" +mp-1292604,Li3Ni2SnO6,-6.0344891971,-1.7864270235,0.0288971688,0.0288971688,GGA+U,P-1,A3B2C6D_aP24_2_3i_2i_6i_ad:Li-Ni-O-Sn,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_4i_2i_9i_ad:Li-Ni-O-Sn, expected Li4Ni2SnO9 to be Li3Ni2SnO6" +mp-1289276,Li3Ni2SnO6,-6.0337984792,-1.7857363056,0.0295878867,0.0295878867,GGA+U,P-1,A3B2C6D_aP24_2_ad2i_2i_6i_i:Li-Ni-O-Sn,24.0,"Invalid WP multiplicities - A3B2C6D_aP24_2_ad4i_2i_12i_i:Li-Ni-O-Sn, expected Li5Ni2SnO12 to be Li3Ni2SnO6" +mp-770486,Li3Ni2SnO6,-6.0327123046,-1.784650131,0.0306740613,0.0306740613,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Ni-O-Sn,24.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Ni-O-Sn +mp-757049,Li2Ni2SnO6,-6.0616156336,-1.6009044322,0.0640481086,0.0640481086,GGA+U,P-1,A2B2C6D_aP33_2_3i_3i_9i_ai:Li-Ni-O-Sn,33.0,"Invalid WP multiplicities - A2B2C6D_aP33_2_4i_6i_18i_ai:Li-Ni-O-Sn, expected Li8Ni12(SnO12)3 to be Li2Ni2SnO6" +mp-774781,Li2Ni2SnO6,-6.0900364455,-1.629325244,0.0356272967,0.0356272967,GGA+U,Cmce,A2B2C6D_oC44_64_e_d_fg_a:Li-Ni-O-Sn,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_e_d_2f3g_a:Li-Ni-O-Sn, expected Li2Ni2SnO16 to be Li2Ni2SnO6" +mp-768603,Li4Ni3Sn5O16,-6.2992389432,-1.8645610803,0.0311114297,0.0311114297,GGA+U,P1,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Ni-O-Sn,28.0,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Ni-O-Sn +mp-772998,Li5Ni5(SnO6)2,-6.1630377271,-1.753674978,0.0149982145,0.0149982145,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Ni-O-Sn,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Ni-O-Sn, expected Li9Ni5(SnO6)2 to be Li5Ni5(SnO6)2" +mp-755223,Li3Ni4SnO8,-6.1831177575,-1.6562179534,0.0099555526,0.0099555526,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Ni-O-Sn,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_a2e_bdf_3i2j_c:Li-Ni-O-Sn, expected Li5Ni4SnO14 to be Li3Ni4SnO8" +mp-1275006,Li2Ni3SnO8,-6.0879795871,-1.4635983501,0.0249427479,0.0249427479,GGA+U,P-1,A2B3C8D_aP28_2_2i_bcefi_8i_i:Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_aP28_2_3i_2bcei_14i_i:Li-Ni-O-Sn, expected Li3Ni3SnO14 to be Li2Ni3SnO8" +mp-1304149,Li2Ni3SnO8,-6.0878209607,-1.4634397237,0.0251013743,0.0251013743,GGA+U,P-1,A2B3C8D_aP14_2_i_ace_4i_b:Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_aP14_2_i_a2ce_6i_b:Li-Ni-O-Sn, expected Li2Ni4SnO12 to be Li2Ni3SnO8" +mp-1314950,Li2Ni3SnO8,-6.0886250211,-1.464243784,0.024297314,0.024297314,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_2i2j_b:Li-Ni-O-Sn, expected Li2Ni6SnO12 to be Li2Ni3SnO8" +mp-1280525,Li2Ni3SnO8,-6.0901894179,-1.4658081808,0.0227329172,0.0227329172,GGA+U,C2/c,A2B3C8D_mC56_15_f_abc_4f_e:Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_mC56_15_f_2a2cd_10f_e:Li-Ni-O-Sn, expected Li2Ni5SnO20 to be Li2Ni3SnO8" +mp-754882,Li2Ni3SnO8,-6.0795215789,-1.4551403419,0.0334007561,0.0334007561,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Ni-O-Sn, expected Li3Ni3SnO30 to be Li2Ni3SnO8" +mp-760774,Li2Ni3SnO8,-6.0946777698,-1.4702965328,0.0182445652,0.0182445652,GGA+U,P4_32_12,A2B3C8D_tP56_96_b_ab_4b_a:Li-Ni-O-Sn,56.0,"Invalid WP multiplicities - A2B3C8D_tP56_96_b_3a2b_29b_a:Li-Ni-O-Sn, expected Li2Ni7SnO58 to be Li2Ni3SnO8" +mp-774694,Li2Ni3SnO8,-6.0732871229,-1.4489058858,0.0396352122,0.0396352122,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Ni-O-Sn,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Ni-O-Sn, expected Li2Ni3SnO10 to be Li2Ni3SnO8" +mp-755496,Li4Ni3SnO8,-6.00345034,-1.7185013993,0.0176486065,0.0176486065,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Ni-O-Sn,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-Sn, expected Li4Ni3SnO16 to be Li4Ni3SnO8" +mp-1521868,SmDy(NiO3)4,-6.4037172011,-1.3033736328,0.3453799261,0.3453799261,GGA+U,Cmmm,AB4C12D_oC36_65_a_m_efno_c:Dy-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_65_a_m_2e2fno_c:Dy-Ni-O-Sm, expected SmDy(NiO4)4 to be SmDy(NiO3)4" +mp-1219090,SmDyNi2,-5.6240125625,-0.4026009787,0.7197708138000001,0.7197708138000001,GGA,Amm2,AB2C_oC8_38_a_ab_b:Dy-Ni-Sm,4.0,AB2C_oC8_38_a_ab_b:Dy-Ni-Sm +mp-1345279,CaMnF5,-6.3683954971,-3.4076797815,0.0041300457,-0.0163529614,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Mn,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Mn +mp-557426,CaMnF5,-6.3725255429,-3.4118098272,0.0,-0.0204830071,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Mn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_a:Ca-F-Mn, expected CaMnF7 to be CaMnF5" +mp-1214779,Ba2CaMnFe2F14,-6.349071279,-3.4137556281,0.0072481933,0.0072481933,GGA+U,C2/c,A2BC14D2E_mC80_15_f_e_7f_f_a:Ba-Ca-F-Fe-Mn,40.0,A2BC14D2E_mC80_15_f_e_7f_f_c:Ba-Ca-F-Fe-Mn +mp-1398106,CaMnF4,-6.6990072158,-3.5634187088,0.0328872542,0.0328872542,GGA+U,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-Mn,12.0,AB4C_tI24_140_a_l_d:Ca-F-Mn +mp-1387972,CaMnF6,-6.029800005,-3.2002388829,0.0,-0.0871641281,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-Mn,8.0,AB6C_hR24_148_a_f_b:Ca-F-Mn +mp-1228779,Ba8Ca5Mn3Fe8F56,-6.3062463739,-3.4603859157,0.0077160406,0.0077160406,GGA+U,P-1,A8B5C56D8E3_aP80_2_4i_a2i_28i_4i_bi:Ba-Ca-F-Fe-Mn,80.0,"Invalid WP multiplicities - A8B5C56D8E3_aP80_2_8i_a3i_56i_8i_bi:Ba-Ca-F-Fe-Mn, expected Ba16Ca7Mn3Fe16F112 to be Ba8Ca5Mn3Fe8F56" +mp-1206786,Ca3MnF6,-5.880169677,-3.2154008033,0.5864521822000001,0.5864521822000001,GGA+U,P-1,A3B6C_aP10_2_abh_3i_c:Ca-F-Mn,10.0,A3B6C_aP10_2_abh_3i_c:Ca-F-Mn +mp-1412254,CaMn2F10,-5.8908286869,-2.8566425224,0.0352090179,0.0352090179,GGA+U,C2,AB10C2_mC26_5_a_ab4c_c:Ca-F-Mn,13.0,AB10C2_mC26_5_a_ab4c_c:Ca-F-Mn +mp-1047948,BaCaMnF7,-6.2628140158,-3.6161197273,0.0411593253,0.0411593253,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Mn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Mn, expected BaCaMnF23 to be BaCaMnF7" +mp-1191493,Li8Sm7Ge10,-4.4670466928,-0.6857761157000001,0.0023795884,0.0023795884,GGA,Cmmm,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Sm,25.0,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Sm +mp-1104144,Li2Sm2Ge3,-4.5750740164,-0.7002023638,0.0,-0.0111920056,GGA,Cmcm,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Sm,14.0,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Sm +mp-1188183,LiSmGe2,-4.6234169506,-0.6550257727000001,0.0,-0.0323160229,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-Li-Sm,16.0,A2BC_oP16_62_2c_c_c:Ge-Li-Sm +mp-1103229,Li4Sm3Ge4,-4.3349655273,-0.6728235917000001,0.0,-0.0129033607,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Sm,11.0,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Sm +mp-15822,LiSmGe,-4.4500631722,-0.6998842200000001,0.0,-0.071875521,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Sm,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Sm +mp-686296,CaGd2Zr(GaO3)4,-8.5853538563,-3.0764441755,0.0,-0.0098898215,GGA,P-1,AB4C2D12E_aP80_2_2i_acdh6i_4i_24i_befg:Ca-Ga-Gd-O-Zr,80.0,"Invalid WP multiplicities - AB4C2D12E_aP80_2_3i_acdh11i_8i_47i_befg:Ca-Ga-Gd-O-Zr, expected Ca3Gd8Zr2Ga13O47 to be CaGd2Zr(GaO3)4" +mp-1220179,NdTiNbBi2O9,-8.2169470561,-2.8622241168,0.008414485,0.008414485,GGA,P2_1,A2BCD9E_mP28_4_2a_a_a_9a_a:Bi-Nb-Nd-O-Ti,28.0,"Invalid WP multiplicities - A2BCD9E_mP28_4_4a_a_a_17a_a:Bi-Nb-Nd-O-Ti, expected NdTiNbBi4O17 to be NdTiNbBi2O9" +mp-1210188,Nd2Ti3(BiO6)2,-8.4429297571,-3.1658764039,0.0,-0.0012292803,GGA,Aea2,A2B2C12D3_oC76_41_b_b_6b_ab:Bi-Nd-O-Ti,38.0,A2B2C12D3_oC76_41_b_b_6b_ab:Bi-Nd-O-Ti +mp-1220421,NdTi12(Bi5O16)3,-7.8265281095,-2.6349169684,0.0024014568,0.0024014568,GGA,P1,A15BC48D12_aP76_1_15a_a_48a_12a:Bi-Nd-O-Ti,76.0,A15BC48D12_aP76_1_15a_a_48a_12a:Bi-Nd-O-Ti +mp-1220794,Nd3Ti12Bi13O48,-8.0018143203,-2.7857911186,0.0033279553,0.0033279553,GGA,P1,A13B3C48D12_aP76_1_13a_3a_48a_12a:Bi-Nd-O-Ti,76.0,A13B3C48D12_aP76_1_13a_3a_48a_12a:Bi-Nd-O-Ti +mp-1211597,La2CuIrO6,-7.737998847,-2.4890201143,0.0320224321,0.0320224321,GGA,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Cu-Ir-La-O,20.0,ABC2D6_mP20_14_a_b_e_3e:Cu-Ir-La-O +mp-862536,La2CuIr,-6.1418668825000005,-0.4394531175,0.0713816163,0.0713816163,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ir-La,4.0,ABC2_cF16_225_a_b_c:Cu-Ir-La +mp-1218814,Sr2La6Cu3IrO16,-7.568652165,-2.8087199112,0.0708169242,0.0708169242,GGA,C2/m,A3BC6D16E2_mC56_12_ai_c_3i_4i2j_i:Cu-Ir-La-O-Sr,28.0,"Invalid WP multiplicities - A3BC6D16E2_mC56_12_ai_c_5i_8i8j_i:Cu-Ir-La-O-Sr, expected Sr2La10Cu3IrO48 to be Sr2La6Cu3IrO16" +mp-559681,Dy2CuTe5Br2O13,-6.1886788637,-1.9955345279,0.0104633793,0.0104633793,GGA,P2_1/c,A2BC2D13E5_mP92_14_2e_e_2e_13e_5e:Br-Cu-Dy-O-Te,92.0,"Invalid WP multiplicities - A2BC2D13E5_mP92_14_4e_e_5e_50e_20e:Br-Cu-Dy-O-Te, expected Dy5CuTe20(Br2O25)2 to be Dy2CuTe5Br2O13" +mp-6402,Na2ZnGeO4,-5.6127063769,-2.0733842648,0.0,-0.0204883862,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Ge-Na-O-Zn,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_4a_5a_a:Ge-Na-O-Zn, expected Na4ZnGeO5 to be Na2ZnGeO4" +mp-14065,Na2TiZn2GeO7,-6.3886870077,-2.3648501879,0.0,-0.0009226815,GGA,Pbca,AB2C7DE2_oP104_61_c_2c_7c_c_2c:Ge-Na-O-Ti-Zn,104.0,"Invalid WP multiplicities - AB2C7DE2_oP104_61_c_2c_10c_c_5c:Ge-Na-O-Ti-Zn, expected Na2TiZn5GeO10 to be Na2TiZn2GeO7" +mp-1042969,TiZn(GeO3)2,-7.1129673923,-2.3048250318,0.0588037724,0.0588037724,GGA,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-Ti-Zn,40.0,A2B6CD_mP40_14_2e_6e_e_e:Ge-O-Ti-Zn +mp-1042942,TiZn(GeO3)2,-7.0414163475,-2.2332739871,0.1303548172,0.1303548172,GGA,C2/c,A2B6CD_mC40_15_f_3f_e_e:Ge-O-Ti-Zn,20.0,A2B6CD_mC40_15_f_3f_e_e:Ge-O-Ti-Zn +mp-1328181,Ti2Zn3(GeO4)3,-6.8253173375,-2.1853391893,0.2113547606,0.2113547606,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Ti-Zn,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Ti-Zn +mp-1215741,Zn2Cr3FeO8,-7.8259664329,-2.1458121093,0.0,-2.6818e-06,GGA+U,R-3m,A3BC8D2_hR42_166_d_a_ch_c:Cr-Fe-O-Zn,14.0,A3BC8D2_hR42_166_d_a_ch_c:Cr-Fe-O-Zn +mp-1215793,ZnCrFeO4,-7.60930556,-2.0136531121,0.0,-0.0011940605,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cr-Fe-O-Zn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_2h2i_e:Cr-Fe-O-Zn, expected ZnCrFeO8 to be ZnCrFeO4" +mp-1360264,Zn3Cr6(FeO6)4,-7.4531840419,-1.6613427024,0.1285109364,0.1285109364,GGA+U,P-1,A6B4C24D3_aP37_2_3i_2i_12i_ai:Cr-Fe-O-Zn,37.0,"Invalid WP multiplicities - A6B4C24D3_aP37_2_5i_2i_13i_ai:Cr-Fe-O-Zn, expected Zn3Cr10(Fe2O13)2 to be Zn3Cr6(FeO6)4" +mp-1215777,Zn2CrFe3O8,-7.3841967671,-1.873046195,0.0066568293,0.0066568293,GGA+U,R-3m,AB3C8D2_hR42_166_a_d_ch_c:Cr-Fe-O-Zn,14.0,"Invalid WP multiplicities - AB3C8D2_hR42_166_a_d_2c2h_c:Cr-Fe-O-Zn, expected Zn2CrFe3O16 to be Zn2CrFe3O8" +mp-1224738,Fe2BiSbO7,-6.8850136786,-1.4726178815,0.3130732168,0.3130732168,GGA+U,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Bi-Fe-O-Sb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Bi-Fe-O-Sb, expected Fe2BiSbO13 to be Fe2BiSbO7" +mp-1218875,Sr2(AlAg)5,-3.2905374083,-0.2680669022,0.0,-0.0354129454,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Ag-Al-Sr,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Ag-Al-Sr, expected Sr2Al5Ag7 to be Sr2(AlAg)5" +mp-1046370,Sr2AlCu2AgO7,-6.0196265477,-1.9594455432,0.11811896,0.11811896,GGA,P1,ABC2D7E2_aP26_1_2a_2a_4a_14a_4a:Ag-Al-Cu-O-Sr,26.0,ABC2D7E2_aP26_1_2a_2a_4a_14a_4a:Ag-Al-Cu-O-Sr +mp-1218359,SrAl3Ag,-3.432507762,-0.2807523727,0.0,-0.0277757848,GGA,I4mm,AB3C_tI10_107_a_ab_a:Ag-Al-Sr,5.0,AB3C_tI10_107_a_ab_a:Ag-Al-Sr +mp-1218338,SrCu4Ag,-3.5716018,-0.0851224439,0.0249551283,0.0249551283,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Ag-Cu-Sr,6.0,AB4C_oC12_65_a_eh_c:Ag-Cu-Sr +mp-2218804,RbMgFe(MoO4)2,-7.5395166846,-1.9767747429,0.2128206994,0.2128206994,GGA+U,P3,ABC2D8E_hP13_143_b_a_ac_ac2d_b:Fe-Mg-Mo-O-Rb,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_143_b_a_ac_ac6d_b:Fe-Mg-Mo-O-Rb, expected RbMgFe(MoO10)2 to be RbMgFe(MoO4)2" +mp-2218733,RbMgFe(MoO4)2,-7.4653656946,-1.9026237529,0.2869716894,0.2869716894,GGA+U,P3,ABC2D8E_hP13_143_a_a_bc_bc2d_a:Fe-Mg-Mo-O-Rb,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_143_a_a_bc_bc6d_a:Fe-Mg-Mo-O-Rb, expected RbMgFe(MoO10)2 to be RbMgFe(MoO4)2" +mp-2230640,Rb8Mg(FeO4)2,-5.0563793779,-1.5849001811,0.1007907113,0.1007907113,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-O-Rb,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-O-Rb +mp-2230608,Rb8Mg(FeO4)2,-5.0323697011,-1.5608905042,0.1248003882,0.1248003882,GGA+U,P1,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-O-Rb,19.0,A2BC8D8_aP19_1_2a_a_8a_8a:Fe-Mg-O-Rb +mp-2230085,Rb8Mg(FeO4)2,-5.0592299095,-1.5877507126,0.0979401797,0.0979401797,GGA+U,P-1,A2BC8D8_aP19_2_i_a_4i_4i:Fe-Mg-O-Rb,19.0,"Invalid WP multiplicities - A2BC8D8_aP19_2_i_a_7i_7i:Fe-Mg-O-Rb, expected Rb14Mg(FeO7)2 to be Rb8Mg(FeO4)2" +mp-1035557,RbMg14FeO16,-6.1715864875,-2.7027897574,0.1911061625,0.1911061625,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Rb, expected RbMg18FeO20 to be RbMg14FeO16" +mp-1035591,RbMg14FeO16,-6.1576650466,-2.6888683165,0.2050276034,0.2050276034,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Rb, expected RbMg30FeO32 to be RbMg14FeO16" +mp-1032412,RbMg6FeO8,-5.9822054944000005,-2.3180964148,0.4156551256,0.4156551256,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Rb, expected RbMg6FeO12 to be RbMg6FeO8" +mp-1032452,RbMg6FeO8,-5.9803127525,-2.316203673,0.4175478675,0.4175478675,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Rb, expected RbMg6FeO12 to be RbMg6FeO8" +mp-2228930,Rb4Mg(FeO2)4,-6.3013081135,-1.6556604153,0.1730279467,0.1730279467,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb +mp-2228931,Rb4Mg(FeO2)4,-6.2864116753,-1.6407639771,0.187924385,0.187924385,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb +mp-2229372,Rb4Mg(FeO2)4,-6.2802774929,-1.6346297947,0.1940585673,0.1940585673,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:Fe-Mg-O-Rb +mp-2217502,Rb2Mg(FeO2)2,-6.0838132989,-1.6073526922,0.2709384238,0.2709384238,GGA+U,P1,A2BC4D2_aP9_1_2a_a_4a_2a:Fe-Mg-O-Rb,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:Fe-Mg-O-Rb +mp-2217243,Rb2Mg(FeO2)2,-6.1249118378,-1.6484512311,0.2298398849,0.2298398849,GGA+U,C2,A2BC4D2_mC18_5_ab_a_2c_ab:Fe-Mg-O-Rb,9.0,"Invalid WP multiplicities - A2BC4D2_mC18_5_ab_a_4c_ab:Fe-Mg-O-Rb, expected Rb2Mg(FeO4)2 to be Rb2Mg(FeO2)2" +mp-2217485,Rb2Mg(FeO2)2,-5.9005743589,-1.4241137522,0.4541773638,0.4541773638,GGA+U,Cm,A2BC4D2_mC18_8_2a_a_2ab_2a:Fe-Mg-O-Rb,9.0,"Invalid WP multiplicities - A2BC4D2_mC18_8_2a_a_2a2b_2a:Fe-Mg-O-Rb, expected Rb2Mg(FeO3)2 to be Rb2Mg(FeO2)2" +mp-2217427,Rb2Mg(FeO2)2,-6.0084614767,-1.53200087,0.346290246,0.346290246,GGA+U,C2/m,A2BC4D2_mC18_12_i_a_2i_i:Fe-Mg-O-Rb,9.0,"Invalid WP multiplicities - A2BC4D2_mC18_12_i_a_4i_i:Fe-Mg-O-Rb, expected Rb2Mg(FeO4)2 to be Rb2Mg(FeO2)2" +mp-2217266,Rb2Mg(FeO2)2,-5.8462271422,-1.3697665356,0.5085245805,0.5085245805,GGA+U,Amm2,A2BC4D2_oC18_38_ab_a_2c_ab:Fe-Mg-O-Rb,9.0,A2BC4D2_oC18_38_ab_a_2c_ab:Fe-Mg-O-Rb +mp-2227668,Rb2MgFe4O7,-6.8329108886,-1.685178459,0.1876633157,0.1876633157,GGA+U,P1,A4BC7D2_aP14_1_4a_a_7a_2a:Fe-Mg-O-Rb,14.0,A4BC7D2_aP14_1_4a_a_7a_2a:Fe-Mg-O-Rb +mp-2228564,Rb2MgFe4O7,-6.8256493614,-1.6779169319,0.1949248429,0.1949248429,GGA+U,P1,A4BC7D2_aP14_1_4a_a_7a_2a:Fe-Mg-O-Rb,14.0,A4BC7D2_aP14_1_4a_a_7a_2a:Fe-Mg-O-Rb +mp-1037596,RbMg30FeO32,-6.2657334847,-2.8945929293,0.0793751803,0.0793751803,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Rb, expected RbMg90FeO80 to be RbMg30FeO32" +mp-1037618,RbMg30FeO32,-6.2601044281,-2.8889638728,0.0850042369,0.0850042369,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Rb, expected RbMg110FeO72 to be RbMg30FeO32" +mp-2226530,Rb6Mg(FeO3)2,-5.1096825487,-1.5027719372,0.1394328996,0.1394328996,GGA+U,P1,A2BC6D6_aP15_1_2a_a_6a_6a:Fe-Mg-O-Rb,15.0,A2BC6D6_aP15_1_2a_a_6a_6a:Fe-Mg-O-Rb +mp-2226528,Rb6Mg(FeO3)2,-5.0298648027,-1.4229541912,0.2192506456,0.2192506456,GGA+U,Cm,A2BC6D6_mC30_8_2a_a_2a2b_2a2b:Fe-Mg-O-Rb,15.0,"Invalid WP multiplicities - A2BC6D6_mC30_8_2a_a_2a4b_2a2b:Fe-Mg-O-Rb, expected Rb6Mg(FeO5)2 to be Rb6Mg(FeO3)2" +mp-1518358,NaNdHfSnO6,-7.928184181,-2.9544275932,0.1839312965,0.1839312965,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-Na-Nd-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-Na-Nd-O-Sn +mp-1520670,BaCaDyBiO6,-7.0213460385,-2.8161477328,0.0021097724,0.0021097724,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-Dy-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-Dy-O, expected BaCaDyBiO12 to be BaCaDyBiO6" +mp-1520660,BaCaDyBiO6,-7.016908795,-2.8117104893,0.0065470159,0.0065470159,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Bi-Ca-Dy-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Bi-Ca-Dy-O, expected BaCa2DyBiO12 to be BaCaDyBiO6" +mp-1520391,BaCaDyBiO6,-6.924048676,-2.7188503703,0.0994071349,0.0994071349,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Dy-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Dy-O +mp-1519408,SrCaTbCoO6,-7.013761257,-2.5019703074,0.1725234349,0.1725234349,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Co-O-Sr-Tb,,ABC6DE_cF40_216_c_a_f_d_b:Ca-Co-O-Sr-Tb +mp-2224764,Ba2YbMg(CuO2)4,-5.7970820256,-1.8628211144,0.2136384135,0.2136384135,GGA,Pm,A2B4CD8E_mP16_6_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Yb,,A2B4CD8E_mP16_6_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Yb +mp-2240937,Ba2YbMg(CuO2)4,-5.8299940631,-1.8957331519,0.180726376,0.180726376,GGA,P2/m,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Yb,,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Yb +mp-2234097,Ba2ErMgNbO6,-7.3460116827,-2.8198856784,0.4149201125,0.4149201125,GGA,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Er-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e2l:Ba-Er-Mg-Nb-O, expected Ba2ErMgNbO12 to be Ba2ErMgNbO6" +mp-2234078,Ba2ErMgNbO6,-7.3189370155,-2.7928110111,0.4419947797,0.4419947797,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Er-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_4b:Ba-Er-Mg-Nb-O, expected Ba2ErMgNbO12 to be Ba2ErMgNbO6" +mp-2218838,Er2MgNb2O8,-8.5626311092,-3.1386436138,0.2943394462,0.2943394462,GGA,P2,A2BC2D8_mP13_3_ab_a_cd_4e:Er-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mP13_3_ad_a_bc_6e:Er-Mg-Nb-O, expected Er2MgNb2O12 to be Er2MgNb2O8" +mp-2219651,Er2MgNb2O8,-8.6560278938,-3.2320403985,0.2009426615,0.2009426615,GGA,P2,A2BC2D8_mP13_3_bd_a_ac_4e:Er-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mP13_3_bd_a_ac_6e:Er-Mg-Nb-O, expected Er2MgNb2O12 to be Er2MgNb2O8" +mp-6653,Ba2ErNbO6,-8.299404884,-3.4806942843,0.0,-0.0480712353,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Er-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Er-Nb-O +mp-1209702,Rb3LaBr6,-3.9825058975,-2.2629279672,0.010207579,0.010207579,GGA,P2_1/c,A6BC3_mP40_14_6e_ad_3e:Br-La-Rb,40.0,A6BC3_mP40_14_6e_ad_3e:Br-La-Rb +mp-1206660,Rb3LaBr6,-3.911067907,-2.1914899768,0.0816455695,0.0816455695,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:Br-La-Rb,10.0,A6BC3_cF40_225_e_a_bc:Br-La-Rb +mp-1209666,Rb2LaTa6(Br5O)3,-6.2153528126,-1.9124182899,0.0,-0.0029617353,GGA,P-31c,A15BC3D2E6_hP54_163_h2i_c_h_f_i:Br-La-O-Rb-Ta,54.0,A15BC3D2E6_hP54_163_h2i_c_h_f_i:Br-La-O-Rb-Ta +mp-1209612,Rb2LaBr5,-4.1565601756,-2.3237830631,0.0,-0.0236795142,GGA,Pnma,A5BC2_oP32_62_3cd_c_d:Br-La-Rb,32.0,A5BC2_oP32_62_3cd_c_d:Br-La-Rb +mp-1519227,SrCeEuSbO6,-8.1271700525,-2.9582982609,0.1289407557,0.1289407557,GGA,P-4n2,ABC6DE_tP20_118_a_c_ei_b_d:Ce-Eu-O-Sb-Sr,20.0,ABC6DE_tP20_118_a_c_ei_b_d:Ce-Eu-O-Sb-Sr +mp-1518712,NaEuNbSnO6,-8.223520051,-2.6864664254,0.0601219815,0.0601219815,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-Sn +mp-1076765,La4Sm4Ni7AgO20,-7.5287163883,-2.5052258341,0.1428255123,0.1428255123,GGA+U,P1,AB4C7D20E4_aP144_1_4a_16a_28a_80a_16a:Ag-La-Ni-O-Sm,144.0,AB4C7D20E4_aP144_1_4a_16a_28a_80a_16a:Ag-La-Ni-O-Sm +mp-1076723,La7SmNi6(AgO12)2,-7.212233671,-2.2538062453,0.1315855116,0.1315855116,GGA+U,Amm2,A2B7C6D24E_oC80_38_c_a2bde_cf_2a2bde4f_a:Ag-La-Ni-O-Sm,40.0,"Invalid WP multiplicities - A2B7C6D24E_oC80_38_c_a2bde_2c2f_2a2bde16f_a:Ag-La-Ni-O-Sm, expected La7SmNi12(AgO36)2 to be La7SmNi6(AgO12)2" +mp-1076249,La5Sm3Ni7AgO24,-7.3318828587,-2.3106369647,0.1132228835,0.1132228835,GGA+U,Cm,AB5C7D24E3_mC80_8_a_3ab_3a2b_4a10b_ab:Ag-La-Ni-O-Sm,40.0,"Invalid WP multiplicities - AB5C7D24E3_mC80_8_a_3a2b_3a2b_4a18b_a2b:Ag-La-Ni-O-Sm, expected La7Sm5Ni7AgO40 to be La5Sm3Ni7AgO24" +mp-1099871,La7SmNi6(AgO10)2,-7.2830545779,-2.3233228506,0.284326048,0.284326048,GGA+U,P1,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Ag-La-Ni-O-Sm,144.0,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Ag-La-Ni-O-Sm +mp-1076810,LaSmNi2O5,-7.6286544644,-2.5232866692,0.1677068394,0.1677068394,GGA+U,P1,AB2C5D_aP144_1_16a_32a_80a_16a:La-Ni-O-Sm,144.0,AB2C5D_aP144_1_16a_32a_80a_16a:La-Ni-O-Sm +mp-1076325,LaSm(NiO3)2,-7.4715931362,-2.3820932495,0.0809966043,0.0809966043,GGA+U,P4/mmm,AB2C6D_tP40_123_ade_r_jkst_bcf:La-Ni-O-Sm,40.0,"Invalid WP multiplicities - AB2C6D_tP40_123_ad2e_r_jk5s6t_bc2f:La-Ni-O-Sm, expected La3Sm3(NiO12)4 to be LaSm(NiO3)2" +mp-1076656,La5Sm3Ni7AgO20,-7.5403014964,-2.5107714709,0.138126447,0.138126447,GGA+U,P1,AB5C7D20E3_aP144_1_4a_20a_28a_80a_12a:Ag-La-Ni-O-Sm,144.0,AB5C7D20E3_aP144_1_4a_20a_28a_80a_12a:Ag-La-Ni-O-Sm +mp-1522804,BaSrSmSbO6,-7.251117298,-3.0374984944,0.013116527,0.013116527,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Ba-O-Sb-Sm-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Ba-O-Sb-Sm-Sr, expected BaSrSmSbO12 to be BaSrSmSbO6" +mp-1522867,BaSrSmSbO6,-7.2478618307,-3.0342430272,0.0163719942,0.0163719942,GGA,P222,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Sb-Sm-Sr,40.0,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Sb-Sm-Sr +mp-1523049,BaSrSmSbO6,-7.226726664,-3.0131078604,0.037507161,0.037507161,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Sb-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Sb-Sm-Sr +mp-1517725,NaSrEuMnO6,-7.335785383,-2.1246685724,0.205009839,0.205009839,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Na-O-Sr +mp-1016629,Mg6CdMo,-2.488336575,0.1829409463,0.23469143,0.23469143,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Mo, expected Mg12CdMo to be Mg6CdMo" +mp-1016641,Mg6CdMo,-2.4959899425,0.1752875787,0.2270380625,0.2270380625,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Mo,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Mo, expected Mg12CdMo to be Mg6CdMo" +mp-1222011,MgCdTe2,-3.0778299275,-0.8753845283,0.002590385,0.002590385,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cd-Mg-Te,4.0,ABC2_tP4_115_a_c_g:Cd-Mg-Te +mp-1232369,MgCdTe2,-3.0775071925,-0.8750617933,0.00291312,0.00291312,GGA,I-42d,ABC2_tI16_122_a_b_d:Cd-Mg-Te,8.0,ABC2_tI16_122_a_b_d:Cd-Mg-Te +mp-1222019,MgCdTe2,-3.074973505,-0.8725281058000001,0.0054468075,0.0054468075,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Mg-Te,4.0,ABC2_hR12_160_a_a_2a:Cd-Mg-Te +mp-2231165,MgCd2Te2(MoO6)2,-6.5494901811,-1.7713724910000002,0.1148331732,0.1148331732,GGA+U,P2,A2BC2D12E2_mP19_3_ad_a_bc_6e_bc:Cd-Mg-Mo-O-Te,19.0,"Invalid WP multiplicities - A2BC2D12E2_mP19_3_cd_c_ab_12e_ab:Cd-Mg-Mo-O-Te, expected MgCd2Te2(MoO12)2 to be MgCd2Te2(MoO6)2" +mp-2231146,MgCd2Te2(MoO6)2,-6.5091209079,-1.7310032178,0.1552024463,0.1552024463,GGA+U,Cm,A2BC2D12E2_mC38_8_b_a_2a_6a3b_2a:Cd-Mg-Mo-O-Te,19.0,"Invalid WP multiplicities - A2BC2D12E2_mC38_8_b_a_2a_6a6b_2a:Cd-Mg-Mo-O-Te, expected MgCd2Te2(MoO9)2 to be MgCd2Te2(MoO6)2" +mp-2231074,MgCd2Te2(MoO6)2,-6.4487237779,-1.6706060878,0.2155995763,0.2155995763,GGA+U,Cmm2,A2BC2D12E2_oC38_35_c_a_ab_3d3e_ab:Cd-Mg-Mo-O-Te,19.0,"Invalid WP multiplicities - A2BC2D12E2_oC38_35_c_a_ab_6d6e_ab:Cd-Mg-Mo-O-Te, expected MgCd2Te2(MoO12)2 to be MgCd2Te2(MoO6)2" +mp-2231309,MgCd2Te2(MoO6)2,-6.5783771932,-1.8002595031,0.0859461611,0.0859461611,GGA+U,P-4,A2BC2D12E2_tP19_81_ac_b_g_3h_g:Cd-Mg-Mo-O-Te,19.0,A2BC2D12E2_tP19_81_ac_b_g_3h_g:Cd-Mg-Mo-O-Te +mp-1232378,MgCdTe,-2.2115247817,-0.3226995472,0.4017279083,0.4017279083,GGA,Cc,ABC_mC12_9_a_a_a:Cd-Mg-Te,6.0,ABC_mC12_9_a_a_a:Cd-Mg-Te +mp-1026494,Mg14CdMo,-2.0484288256,0.08734996,0.1270319936,0.1270319936,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Mo, expected Mg18CdMo to be Mg14CdMo" +mp-1026468,Mg14CdMo,-2.0567351106,0.079043675,0.1187257086,0.1187257086,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Mo, expected Mg26CdMo to be Mg14CdMo" +mp-2242219,MgCd2(MoO4)2,-6.92359154,-1.9458323492,0.0542527706,0.0542527706,GGA+U,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Cd-Mg-Mo-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_6c:Cd-Mg-Mo-O, expected MgCd2(MoO6)2 to be MgCd2(MoO4)2" +mp-555560,CdTeMoO6,-6.6867085517,-1.732044326,0.0,-0.0190854171,GGA+U,P-42_1m,ABC6D_tP18_113_a_c_3e_c:Cd-Mo-O-Te,18.0,"Invalid WP multiplicities - ABC6D_tP18_113_a_c_8e_c:Cd-Mo-O-Te, expected CdTeMoO16 to be CdTeMoO6" +mp-1517334,BaPrEuSbO6,-8.0465411705,-2.9699395702,0.0414578056,0.0414578056,GGA,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Pr-Sb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Pr-Sb, expected BaPrEuSbO12 to be BaPrEuSbO6" +mp-1517318,BaPrEuSbO6,-7.998468769,-2.9218671688,0.0895302071,0.0895302071,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Pr-Sb +mp-1209384,Rb3Zn3(MoO4)4,-6.9476077096,-1.9764364455,0.0705508919,0.0705508919,GGA+U,I-43d,A4B16C3D3_cI104_220_c_ce_a_b:Mo-O-Rb-Zn,52.0,A4B16C3D3_cI104_220_c_ce_a_b:Mo-O-Rb-Zn +mp-18422,RbLiZn2O3,-4.6883458546,-1.7956300985,0.0,-0.0106773131,GGA,P4_2/mnm,AB3CD2_tP28_136_g_fi_f_i:Li-O-Rb-Zn,28.0,"Invalid WP multiplicities - AB3CD2_tP28_136_g_f2i_f_i:Li-O-Rb-Zn, expected RbLiZn2O5 to be RbLiZn2O3" +mp-697222,Rb3LiZn2(MoO4)4,-7.0948740717,-2.0987343746,0.002276764,0.002276764,GGA+U,I-42d,AB4C16D3E2_tI104_122_a_e_4e_bd_d:Li-Mo-O-Rb-Zn,52.0,"Invalid WP multiplicities - AB4C16D3E2_tI104_122_a_e_26e_bd_d:Li-Mo-O-Rb-Zn, expected Rb3LiZn2(MoO26)4 to be Rb3LiZn2(MoO4)4" +mp-1210963,Li2Zn2(MoO4)3,-7.2104386971,-2.0401993382,0.0107222907,0.0107222907,GGA+U,Pnma,A2B3C12D2_oP76_62_2c_cd_2c5d_d:Li-Mo-O-Zn,76.0,A2B3C12D2_oP76_62_2c_cd_2c5d_d:Li-Mo-O-Zn +mp-1210004,Rb4Zn(MoO4)3,-6.9924999484,-2.1385452102,0.0,-0.0129107676,GGA+U,Pbca,A3B12C4D_oP160_61_3c_12c_4c_c:Mo-O-Rb-Zn,160.0,A3B12C4D_oP160_61_3c_12c_4c_c:Mo-O-Rb-Zn +mp-1209660,Rb2Zn2(MoO4)3,-7.1138146545,-2.0413004318,0.0017328592,0.0017328592,GGA+U,P2_1/c,A3B12C2D2_mP76_14_3e_12e_2e_2e:Mo-O-Rb-Zn,76.0,A3B12C2D2_mP76_14_3e_12e_2e_2e:Mo-O-Rb-Zn +mp-850289,Li4Ti2Ni3Sb3O16,-6.9102289323,-2.185189338,0.0647934729,0.0647934729,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sb-Ti,56.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_2a2b_8a4b_ab_2a:Li-Ni-O-Sb-Ti, expected Li4Ti2Ni6Sb3O16 to be Li4Ti2Ni3Sb3O16" +mp-775755,Li4Ti3Ni3(SbO8)2,-7.2500494011,-2.390492279,0.0305206222,0.0305206222,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Sb-Ti,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Ni-O-Sb-Ti, expected Li4Ti3Ni3(SbO10)2 to be Li4Ti3Ni3(SbO8)2" +mp-1519219,CaNdHfFeO6,-8.607434427,-3.119325445,0.180109948,0.180109948,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Fe-Hf-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Fe-Hf-Nd-O +mp-1214806,Ba6Na2Mn2Nb2O17,-7.4567749524,-2.7402491254,0.0,-0.0092433208,GGA+U,P6_3/mmc,A6B2C2D2E17_hP58_194_ab2f_f_e_f_fh2k:Ba-Mn-Na-Nb-O,58.0,A6B2C2D2E17_hP58_194_ab2f_f_e_f_fh2k:Ba-Mn-Na-Nb-O +mp-1522014,CaSm(CoO3)4,-6.6475954667,-1.3966109261,0.2659705627,0.2659705627,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Co-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Co-O-Sm, expected CaSm(CoO4)4 to be CaSm(CoO3)4" +mp-1227147,CaSmCoO4,-7.5472712729,-2.7445200364,0.0506423513,0.0506423513,GGA+U,Cmc2_1,ABC4D_oC28_36_a_a_2ab_a:Ca-Co-O-Sm,14.0,"Invalid WP multiplicities - ABC4D_oC28_36_a_a_4ab_a:Ca-Co-O-Sm, expected CaSmCoO6 to be CaSmCoO4" +mp-554083,BaZnAs2O7,-6.435188127,-2.1512084599,0.0077398742,0.0077398742,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ba-O-Zn,44.0,"Invalid WP multiplicities - A2BC7D_mP44_14_6e_e_25e_e:As-Ba-O-Zn, expected BaZnAs6O25 to be BaZnAs2O7" +mp-1044381,BaMn4ZnO8,-7.6018417371,-1.9303924937,0.2379242032,0.2379242032,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Mn-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Mn-O-Zn +mp-14769,Ba2Zn3(AsO)2,-4.3967479278,-1.4157707119,0.012264126,0.012264126,GGA,I4/mmm,A2B2C2D3_tI18_139_e_e_c_ad:As-Ba-O-Zn,9.0,A2B2C2D3_tI18_139_e_e_c_ad:As-Ba-O-Zn +mp-19045,Ba2MnZn2(AsO)2,-5.3379115708,-1.4789041681,0.0,-0.0281618943,GGA+U,I4/mmm,A2B2CD2E2_tI18_139_e_e_a_c_d:As-Ba-Mn-O-Zn,36.0,A2B2CD2E2_tI18_139_e_e_a_c_d:As-Ba-Mn-O-Zn +mp-15739,BaZn2(AsO4)2,-6.2381964837,-2.1358727406,0.0,-0.0399986192,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:As-Ba-O-Zn,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:As-Ba-O-Zn +mp-1520076,Ca2TbNiO6,-6.768990886,-2.3584074052,0.212571534,0.212571534,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Ni-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Ni-O-Tb +mp-1518602,SrCaTbNiO6,-6.7808487710000005,-2.4018759329,0.168772164,0.168772164,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ni-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ni-O-Sr-Tb +mp-1522538,SrPrGdCoO6,-8.1980659015,-2.4645687504,0.4465062367,0.4465062367,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Co-Gd-O-Pr-Sr,,ABC6DE_aP20_1_2a_2a_12a_2a_2a:Co-Gd-O-Pr-Sr +mp-1521987,NdSm(NiO3)4,-6.3453477061,-1.2360396604,0.3910122803,0.3910122803,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Nd-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Nd-Ni-O-Sm, expected NdSm(NiO4)4 to be NdSm(NiO3)4" +mp-1214228,BaZr(SiO3)3,-8.5553231925,-3.4651211881,0.0,-0.0187083095,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:Ba-O-Si-Zr,28.0,AB9C3D_hP28_188_a_kl_k_c:Ba-O-Si-Zr +mp-1229309,Ba2Na2Zr2Si6O23,-7.5593711209,-2.7049668276,0.2477462545,0.2477462545,GGA,P2_1/c,A2B2C23D6E2_mP140_14_2e_2e_23e_6e_2e:Ba-Na-O-Si-Zr,140.0,"Invalid WP multiplicities - A2B2C23D6E2_mP140_14_5e_2e_50e_12e_2e:Ba-Na-O-Si-Zr, expected Ba5Na2Zr2(Si6O25)2 to be Ba2Na2Zr2Si6O23" +mp-1214740,Ba2Zr2(SiO4)3,-8.5782384349,-3.4956294999,0.0284109982,0.0284109982,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Ba-O-Si-Zr,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:Ba-O-Si-Zr +mp-1227162,CaYb3Mn4O12,-7.783295193,-2.6516576718,0.0100932343,0.0100932343,GGA+U,Pm,AB4C12D3_mP20_6_a_2c_2a2b4c_a2b:Ca-Mn-O-Yb,,"Invalid WP multiplicities - AB4C12D3_mP20_6_a_4c_2a2b8c_a2b:Ca-Mn-O-Yb, expected CaYb3Mn8O20 to be CaYb3Mn4O12" +mp-698722,Ca5Yb3Ti5Mn3O24,-8.2412389997,-3.232967518,0.0076679559,0.0076679559,GGA+U,P1,A5B3C24D5E3_aP40_1_5a_3a_24a_5a_3a:Ca-Mn-O-Ti-Yb,,A5B3C24D5E3_aP40_1_5a_3a_24a_5a_3a:Ca-Mn-O-Ti-Yb +mp-1218249,SrLa4Si3O13,-8.5845909181,-3.7266657176,0.0,-0.0275597152,GGA,P6_3,A4B13C3D_hP42_173_bc_a4c_c_b:La-O-Si-Sr,42.0,A4B13C3D_hP42_173_bc_a4c_c_b:La-O-Si-Sr +mp-1223240,La5AlSi2O13,-8.6952040171,-3.7626706523,0.0031924848,0.0031924848,GGA,Pm,AB5C13D2_mP42_6_ab_3a3b2c_7a7b6c_2a2b:Al-La-O-Si,42.0,"Invalid WP multiplicities - AB5C13D2_mP42_6_ab_3a3b4c_7a7b12c_2a2b:Al-La-O-Si, expected La7AlSi2O19 to be La5AlSi2O13" +mp-1224621,La20Al3Si9O52,-8.6934089737,-3.7408786779,0.013667256,0.013667256,GGA,P1,A3B20C52D9_aP84_1_3a_20a_52a_9a:Al-La-O-Si,84.0,A3B20C52D9_aP84_1_3a_20a_52a_9a:Al-La-O-Si +mp-677529,Sr2La18AlSi11O52,-8.6422656295,-3.7270394159,0.0079078082,0.0079078082,GGA,P1,AB18C52D11E2_aP84_1_a_18a_52a_11a_2a:Al-La-O-Si-Sr,84.0,AB18C52D11E2_aP84_1_a_18a_52a_11a_2a:Al-La-O-Si-Sr +mp-1223536,KBa3Ga5(Se5Cl)2,-4.4341459195,-1.5453843969,0.01758903,0.01758903,GGA,P1,A3B2C5DE10_aP21_1_3a_2a_5a_a_10a:Ba-Cl-Ga-K-Se,21.0,A3B2C5DE10_aP21_1_3a_2a_5a_a_10a:Ba-Cl-Ga-K-Se +mp-1521737,SrLaDySnO6,-7.708966551,-3.2167673989,0.0755742009,0.0755742009,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_f_cd:Dy-La-O-Sn-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_ab_6m_f_2c2d:Dy-La-O-Sn-Sr, expected Sr2LaDySnO12 to be SrLaDySnO6" +mp-1521837,SrLaDySnO6,-7.594676338,-3.1024771859,0.1898644139,0.1898644139,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Dy-La-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Dy-La-O-Sn-Sr +mp-557510,Cu3TeS3Cl,-4.1917651325,-0.479413612,0.0660610562,0.0660610562,GGA,R3m,AB3C3D_hR24_160_a_b_b_a:Cl-Cu-S-Te,8.0,AB3C3D_hR24_160_a_b_b_a:Cl-Cu-S-Te +mp-1213106,CuTeSCl,-3.8722396594,-0.5653648868,0.0803473614,0.0803473614,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cl-Cu-S-Te,16.0,ABCD_mP16_14_e_e_e_e:Cl-Cu-S-Te +mp-1222141,Mg2TeS,-3.9280637725,-1.3079848074,0.074112425,0.074112425,GGA,R3m,A2BC_hR12_160_2a_a_a:Mg-S-Te,4.0,A2BC_hR12_160_2a_a_a:Mg-S-Te +mp-2240084,MgCu3TeS3Cl,-4.0567548456,-0.5790779329,0.2792770537,0.2792770537,GGA,Cm,AB3CD3E_mC18_8_a_ab_a_ab_a:Cl-Cu-Mg-S-Te,9.0,"Invalid WP multiplicities - AB3CD3E_mC18_8_a_a2b_a_a2b_a:Cl-Cu-Mg-S-Te, expected MgCu5TeS5Cl to be MgCu3TeS3Cl" +mp-2240378,MgCu3TeS3Cl,-4.1011638756,-0.6234869629,0.2348680237,0.2348680237,GGA,R3m,AB3CD3E_hR27_160_a_b_a_b_a:Cl-Cu-Mg-S-Te,9.0,AB3CD3E_hR27_160_a_b_a_b_a:Cl-Cu-Mg-S-Te +mp-1222100,Mg4Te3S,-3.6961592763,-1.2002233079,0.0341459,0.0341459,GGA,Pmm2,A4BC3_oP8_25_acf_b_de:Mg-S-Te,8.0,"Invalid WP multiplicities - A4BC3_oP8_25_ac2f_b_d2e:Mg-S-Te, expected Mg6Te5S to be Mg4Te3S" +mp-1213772,Cs2TmCl5O,-4.0483378278,-1.7754475857,0.5683670897,0.5683670897,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-O-Tm,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-Cs-O-Tm +mp-556414,CsTmSeCl2O3,-5.8737195659,-2.4481834751,0.0,-0.0080859822,GGA,P2_1/c,A2BC3DE_mP32_14_2e_e_3e_e_e:Cl-Cs-O-Se-Tm,32.0,"Invalid WP multiplicities - A2BC3DE_mP32_14_2e_e_9e_e_e:Cl-Cs-O-Se-Tm, expected CsTmSeCl2O9 to be CsTmSeCl2O3" +mp-558516,TmSeClO3,-6.611871565,-2.5018132825,0.0,-0.1319327675,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Tm,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_4c4d_c_c:Cl-O-Se-Tm, expected TmSeClO12 to be TmSeClO3" +mp-1521459,NaSrPrSeO6,-6.436475686,-2.3395788613,0.1624604764,0.1624604764,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Pr-Se-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Pr-Se-Sr +mp-557741,Ba17Tm16Zn8Pt4O57,-7.1391033942,-3.0159692819,0.0,-0.0012451458,GGA,I4/m,A17B57C4D16E8_tI204_87_a4h_b4h5i_h_4h_2h:Ba-O-Pt-Tm-Zn,102.0,"Invalid WP multiplicities - A17B57C4D16E8_tI204_87_a16h_b15h36i_h_11h_7h:Ba-O-Pt-Tm-Zn, expected Ba65Tm44Zn28Pt4O349 to be Ba17Tm16Zn8Pt4O57" +mp-6250,BaTm2ZnO5,-7.3950964358,-3.2991149966,0.0266354752,0.0266354752,GGA,Pnma,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Tm-Zn,36.0,"Invalid WP multiplicities - AB5C2D_oP36_62_c_c2d_4c_c:Ba-O-Tm-Zn, expected BaTm4ZnO5 to be BaTm2ZnO5" +mp-1228595,Ba2Tm2Zn8O13,-5.8830385320000005,-2.3960576179,0.0397191058,0.0397191058,GGA,Cm,A2B13C2D8_mC50_8_2a_5a4b_2a_4a2b:Ba-O-Tm-Zn,25.0,A2B13C2D8_mC50_8_2a_5a4b_2a_4a2b:Ba-O-Tm-Zn +mp-865338,Tm2ZnPt,-4.90762941,-0.8369924658000001,0.0123484729,0.0123484729,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Tm-Zn,4.0,AB2C_cF16_225_a_c_b:Pt-Tm-Zn +mp-6054,Ba5Tm8Zn4O21,-7.3460662071,-3.2849873791,0.016919859,0.016919859,GGA,I4/m,A5B21C8D4_tI76_87_ah_bh2i_2h_h:Ba-O-Tm-Zn,38.0,"Invalid WP multiplicities - A5B21C8D4_tI76_87_ah_b2h2i_2h_h:Ba-O-Tm-Zn, expected Ba5Tm8Zn4O25 to be Ba5Tm8Zn4O21" +mp-28603,NaLiSe,-3.5665960975,-1.3241428849,0.0,-0.0056193725,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Na-Se,12.0,ABC_oP12_62_c_c_c:Li-Na-Se +mp-1517281,NaLaHfNbO6,-8.889417145,-3.2897012714,0.1511965575,0.1511965575,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Hf-La-Na-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Hf-La-Na-Nb-O +mp-1228609,Ba5Co4PtClO13,-6.6260933825,-2.0321446697,0.0371029316,0.0371029316,GGA+U,Cmc2_1,A5BC4D13E_oC96_36_5a_a_4a_5a4b_a:Ba-Cl-Co-O-Pt,48.0,"Invalid WP multiplicities - A5BC4D13E_oC96_36_9a_a_6a_9a8b_a:Ba-Cl-Co-O-Pt, expected Ba9Co6PtClO25 to be Ba5Co4PtClO13" +mp-1228254,Ba5Co4PtClO13,-6.6297758702,-2.0358271574,0.0334204439,0.0334204439,GGA+U,P6_3/mmc,A5BC4D13E_hP48_194_b2f_c_ef_d2k_a:Ba-Cl-Co-O-Pt,48.0,A5BC4D13E_hP48_194_b2f_c_ef_d2k_a:Ba-Cl-Co-O-Pt +mp-1520770,BaCaTbNbO6,-8.178844287,-3.3448064642,0.1372362736,0.1372362736,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Tb +mp-1218760,Sr2Nd2CrNiO8,-7.7024659086,-2.8508962220000003,0.0690248096,0.0690248096,GGA+U,Amm2,AB2CD8E2_oC28_38_a_ab_b_2a2bf_ab:Cr-Nd-Ni-O-Sr,14.0,AB2CD8E2_oC28_38_a_ab_b_2a2bf_ab:Cr-Nd-Ni-O-Sr +mp-1521324,SrHfZrSnO6,-8.619554483,-3.2311457594,0.1461193495,0.1461193495,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-Zr,10.0,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-Zr +mp-1078675,La2HfNiO6,-8.777513593,-3.2485663742,0.1875471936,0.1875471936,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Hf-La-Ni-O,10.0,AB2CD6_cF40_225_a_c_b_e:Hf-La-Ni-O +mp-1520901,SrCaInSbO6,-6.49942135,-2.4738302929,0.1095414302,0.1095414302,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-In-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-In-O-Sb-Sr +mp-1522715,BaNaTbBiO6,-6.500524322,-2.3608755489,0.0994239332,0.0994239332,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-Na-O-Tb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-Na-O-Tb, expected BaNa2TbBiO12 to be BaNaTbBiO6" +mp-1522602,BaNaTbBiO6,-6.490968473,-2.3513196999,0.1089797822,0.1089797822,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Tb +mp-1519946,NaSrSnSbO6,-6.338208597,-2.2551361861,0.1009246665,0.1009246665,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Sb-Sn-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Sb-Sn-Sr +mp-1518395,BaEuNbBiO6,-8.4085365535,-2.8287462357,0.068027146,0.068027146,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Eu-Nb-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Eu-Nb-O, expected BaEuNbBiO12 to be BaEuNbBiO6" +mp-1518477,BaEuNbBiO6,-8.3953505845,-2.8155602667,0.081213115,0.081213115,GGA,P222,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Eu-Nb-O,40.0,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Eu-Nb-O +mp-1518485,BaEuNbBiO6,-8.330407044,-2.7506167263,0.1461566555,0.1461566555,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Nb-O +mp-1517127,SrCaTbFeO6,-7.276399589,-2.6284382979,0.1433591099,0.1433591099,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Sr-Tb +mp-1215339,ZrFeMo,-9.4227951867,-0.1350045367,0.07500154,0.07500154,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-Mo-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-Mo-Zr, expected Zr3(FeMo)2 to be ZrFeMo" +mp-1193832,Zr9FeMo4,-9.2891007575,-0.0903916632,0.0005971054,0.0005971054,GGA,P6_3/mmc,AB4C9_hP28_194_c_ah_hk:Fe-Mo-Zr,28.0,AB4C9_hP28_194_c_ah_hk:Fe-Mo-Zr +mp-1226541,Cs2ZrFe2(MoO4)6,-8.1927176054,-2.1620611047,0.0029932991,0.0029932991,GGA+U,P-1,A2B2C6D24E_aP35_2_i_cd_3i_12i_b:Cs-Fe-Mo-O-Zr,35.0,"Invalid WP multiplicities - A2B2C6D24E_aP35_2_i_cd_6i_24i_b:Cs-Fe-Mo-O-Zr, expected Cs2ZrFe2(MoO4)12 to be Cs2ZrFe2(MoO4)6" +mp-1215698,Zr3Fe8Mo,-8.8556674592,-0.1682573192,0.0431416458,0.0431416458,GGA,R3m,A8BC3_hR36_160_2a2b_a_3a:Fe-Mo-Zr,12.0,"Invalid WP multiplicities - A8BC3_hR36_160_2a6b_a_3a:Fe-Mo-Zr, expected Zr3Fe20Mo to be Zr3Fe8Mo" +mp-675700,Cr2SbTe,-6.56082237,0.0837781483,0.2907397725,0.2907397725,GGA,P-6m2,A2BC_hP4_187_i_a_d:Cr-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Cr-Sb-Te +mp-35749,Cr2SbTe,-6.7365801125,-0.0919795942,0.11498203,0.11498203,GGA,P-6m2,A2BC_hP4_187_i_a_d:Cr-Sb-Te,4.0,A2BC_hP4_187_i_a_d:Cr-Sb-Te +mp-781050,Li4CrSb(TeO6)2,-6.314644135,-1.9614133101,0.0475869231,0.0475869231,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Sb-Te,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Sb-Te +mp-756097,Cr3Sb3(TeO8)2,-7.1133629738,-1.8308722531,0.1334621085,0.1334621085,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Cr-O-Sb-Te,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Cr-O-Sb-Te, expected Cr3Sb3(TeO10)2 to be Cr3Sb3(TeO8)2" +mp-1226197,CrSbTeO6,-7.0035027831,-1.825115353,0.0871319513,0.0871319513,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Te,36.0,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Te +mp-676935,Cr10Sb3Te7,-6.695483217,-0.1494522333,0.129891818,0.129891818,GGA,P1,A10B3C7_aP20_1_10a_3a_7a:Cr-Sb-Te,20.0,A10B3C7_aP20_1_10a_3a_7a:Cr-Sb-Te +mp-1101642,Cr10Sb3Te7,-6.7107333825,-0.1647023988,0.1146416525,0.1146416525,GGA,C2,A10B3C7_mC40_5_5c_ac_b3c:Cr-Sb-Te,20.0,"Invalid WP multiplicities - A10B3C7_mC40_5_9c_ac_b6c:Cr-Sb-Te, expected Cr18Sb3Te13 to be Cr10Sb3Te7" +mp-774887,Li4Cu3Ni2Sb3O16,-5.9922945864,-1.5984514458,0.0776116651,0.0776116651,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cu-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cu-Li-Ni-O-Sb, expected Li4Cu3Ni2Sb3O20 to be Li4Cu3Ni2Sb3O16" +mp-754442,Li4Cu2Ni3Sb3O16,-6.0726019675,-1.6187256123,0.0755416483,0.0755416483,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cu-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cu-Li-Ni-O-Sb, expected Li4Cu2Ni3Sb3O20 to be Li4Cu2Ni3Sb3O16" +mp-1519206,SrEuNbFeO6,-8.929306798,-2.9095114209,0.0267060337,0.0267060337,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Nb-O-Sr +mp-1221020,NdMnFeBiO6,-7.7217866065,-2.1297060733,0.194955869,0.194955869,GGA+U,P2_1,ABCDE6_mP20_4_a_a_a_a_6a:Bi-Fe-Mn-Nd-O,20.0,ABCDE6_mP20_4_a_a_a_a_6a:Bi-Fe-Mn-Nd-O +mp-1237102,NdMnFeBiO6,-7.8560345015,-2.2639539683,0.060707974,0.060707974,GGA+U,P2_1,ABCDE6_mP20_4_a_a_a_a_6a:Bi-Fe-Mn-Nd-O,20.0,ABCDE6_mP20_4_a_a_a_a_6a:Bi-Fe-Mn-Nd-O +mp-569606,Nd3MnBi5,-5.2998719344,-0.5588826856,0.0856467302,0.0856467302,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Bi-Mn-Nd,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_3d2g_b_g:Bi-Mn-Nd, expected Nd3MnBi12 to be Nd3MnBi5" +mp-1027972,NaMg14Zn,-1.53517885,0.0264580002,0.0630897031,0.0630897031,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Zn, expected NaMg18Zn to be NaMg14Zn" +mp-1027960,NaMg14Zn,-1.5336602956,0.0279765546,0.0646082575,0.0646082575,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Zn, expected NaMg26Zn to be NaMg14Zn" +mp-1196035,Na6Zn3As4O19,-5.5028850581,-1.6173243792,0.1668873029,0.1668873029,GGA,P2_13,A4B6C19D3_cP128_198_4a_2b_4a5b_b:As-Na-O-Zn,128.0,A4B6C19D3_cP128_198_4a_2b_4a5b_b:As-Na-O-Zn +mp-1221221,Na3Zn3As3O16,-5.4291751702,-1.394327918,0.232362461,0.232362461,GGA,R3c,A3B3C16D3_hR150_161_b_b_a5b_b:As-Na-O-Zn,50.0,"Invalid WP multiplicities - A3B3C16D3_hR150_161_b_b_2a21b_b:As-Na-O-Zn, expected Na3Zn3As3O65 to be Na3Zn3As3O16" +mp-1221351,Na2MgZn5(AsO4)6,-5.8373215747,-1.6999718856,0.1041628778,0.1041628778,GGA,C2,A6BC2D24E5_mC76_5_ab2c_a_ab_12c_b2c:As-Mg-Na-O-Zn,38.0,A6BC2D24E5_mC76_5_ab2c_a_ab_12c_b2c:As-Mg-Na-O-Zn +mp-14901,NaZnAsO4,-5.7976993302,-1.9365361655,0.0,-0.0485019311,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:As-Na-O-Zn,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_3e_3e_14e_3e:As-Na-O-Zn, expected Na3Zn3As3O14 to be NaZnAsO4" +mp-6566,NaZnAsO4,-5.7946376498,-1.933474485,0.0030616805,-0.0454402507,GGA,P6_3,ABC4D_hP42_173_c_a2b_4c_c:As-Na-O-Zn,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a2b_10c_c:As-Na-O-Zn, expected NaZnAsO10 to be NaZnAsO4" +mp-1201715,NaZnAsO4,-5.7772598257,-1.9160966609,0.0204395045,-0.0280624266,GGA,P6_3,ABC4D_hP42_173_c_a2b_4c_c:As-Na-O-Zn,42.0,ABC4D_hP42_173_c_a2b_4c_c:As-Na-O-Zn +mp-1022593,NaMg6Zn,-1.4739618269,0.0490318236,0.0958332456,0.0958332456,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Zn, expected NaMg12Zn to be NaMg6Zn" +mp-1022599,NaMg6Zn,-1.4753180056,0.0476756448,0.0944770668,0.0944770668,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Zn, expected NaMg12Zn to be NaMg6Zn" +mp-1218276,SrEuAlO4,-8.3401880629,-3.2717843588,0.0443743116,0.0443743116,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-Eu-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-Eu-O-Sr +mp-1520853,SrEuAlBiO6,-7.569068037,-2.6477987889,0.1598719778,0.1598719778,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-Eu-O-Sr +mp-983228,SrEu2Al2O7,-8.6714008225,-3.3112783482,0.0341984193,0.0341984193,GGA,I4/mmm,A2B2C7D_tI24_139_e_e_aeg_b:Al-Eu-O-Sr,12.0,"Invalid WP multiplicities - A2B2C7D_tI24_139_e_e_ae2g_b:Al-Eu-O-Sr, expected SrEu2Al2O11 to be SrEu2Al2O7" +mp-774605,Li4Co3Sn2Sb3O16,-6.4971505761,-1.9073715882,0.04708718,0.04708718,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sb-Sn,56.0,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sb-Sn +mp-776240,Li4Co3Sn3(SbO8)2,-6.5383618643,-1.9528482115,0.0176512627,0.0176512627,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Sb-Sn,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Co-Li-O-Sb-Sn, expected Li4Co3Sn3(SbO10)2 to be Li4Co3Sn3(SbO8)2" +mp-15868,Co4SnSb12,-5.0771053906,-0.2541137485,0.0581076021,0.0581076021,GGA,Im-3,A4B12C_cI34_204_c_g_a:Co-Sb-Sn,17.0,A4B12C_cI34_204_c_g_a:Co-Sb-Sn +mp-1227035,Co10SnSb30,-5.1498312722,-0.2970803696,0.0265637133,0.0265637133,GGA,C2/m,A10B30C_mC164_12_ef4j_10i10j_i:Co-Sb-Sn,82.0,"Invalid WP multiplicities - A10B30C_mC164_12_2e2f12j_20i40j_i:Co-Sb-Sn, expected Co28SnSb100 to be Co10SnSb30" +mp-1226073,Co5(SnSb)2,-5.81753069,-0.0598934494,0.1027684576,0.1027684576,GGA,P-6m2,A5B2C2_hP9_187_c2i_h_ab:Co-Sb-Sn,9.0,"Invalid WP multiplicities - A5B2C2_hP9_187_c4i_h_ab:Co-Sb-Sn, expected Co9(SnSb)2 to be Co5(SnSb)2" +mp-720079,Ba2Na7Ti16Bi7O48,-7.961756560199999,-2.9149067946,0.0224759044,0.0224759044,GGA,P1,A2B7C7D48E16_aP80_1_2a_7a_7a_48a_16a:Ba-Bi-Na-O-Ti,80.0,A2B7C7D48E16_aP80_1_2a_7a_7a_48a_16a:Ba-Bi-Na-O-Ti +mp-734112,Ba2Na7Ti16Bi7O48,-7.6180049276,-2.571155162,0.3662275371,0.3662275371,GGA,P1,A2B7C7D48E16_aP80_1_2a_7a_7a_48a_16a:Ba-Bi-Na-O-Ti,80.0,A2B7C7D48E16_aP80_1_2a_7a_7a_48a_16a:Ba-Bi-Na-O-Ti +mp-1043525,MgMn(Si2O5)2,-8.1682228025,-3.0475693916,0.0648569975,0.0648569975,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Mg-Mn-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Mg-Mn-O-Si, expected MgMn(Si2O11)2 to be MgMn(Si2O5)2" +mp-1032411,Mg6MnSiO8,-6.5671264731,-2.5819687661,0.3548856976,0.3548856976,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Si, expected Mg6MnSiO12 to be Mg6MnSiO8" +mp-1032437,Mg6MnSiO8,-6.5751985244,-2.5900408174000003,0.3468136464,0.3468136464,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Si, expected Mg6MnSiO12 to be Mg6MnSiO8" +mp-1210711,MgMnZnSiO6,-7.1530828975,-2.4403339725,0.0944434128,0.0944434128,GGA+U,Cmce,ABC6DE_oC80_64_c_f_d3fg_f_e:Mg-Mn-O-Si-Zn,40.0,ABC6DE_oC80_64_c_f_d3fg_f_e:Mg-Mn-O-Si-Zn +mp-1308866,MgMnSiO5,-7.7378602569,-2.6227281408,0.0875650298,0.0875650298,GGA+U,P-1,ABC5D_aP16_2_i_ab_5i_i:Mg-Mn-O-Si,16.0,ABC5D_mC32_15_e_c_e2f_e:Mg-Mn-O-Si +mp-1293053,MgMnSiO5,-7.7374584891,-2.622326373,0.0879667976,0.0879667976,GGA+U,Cc,ABC5D_mC32_9_a_a_5a_a:Mg-Mn-O-Si,32.0,ABC5D_mC32_15_e_a_e2f_e:Mg-Mn-O-Si +mp-1046683,MgMnSiO5,-7.737461515,-2.622329399,0.0879637717,0.0879637717,GGA+U,C2/c,ABC5D_mC32_15_e_a_e2f_e:Mg-Mn-O-Si,32.0,ABC5D_mC32_15_e_c_e2f_e:Mg-Mn-O-Si +mp-1264900,Mg2Mn2(SiO4)3,-7.7988829995,-2.6851561937,0.1132010167,0.1132010167,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_e_c_3g_ae:Mg-Mn-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_e_c_34g_3a4e:Mg-Mn-O-Si, expected Mg2Mn2Si11O136 to be Mg2Mn2(SiO4)3" +mp-1248625,MgMn(SiO3)2,-8.12220104,-2.9928946730000003,0.026168296,0.026168296,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Mg-Mn-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Mg-Mn-O-Si +mp-1041845,MgMn(SiO3)2,-8.1449328524,-3.0156264854,0.0034364836,0.0034364836,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Mg-Mn-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Mg-Mn-O-Si, expected MgMnSi8O41 to be MgMn(SiO3)2" +mp-2230268,MgMn2(SiO3)4,-8.1746261089,-2.8595815148,0.0722896292,0.0722896292,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mn-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mn-O-Si +mp-2230766,MgMn2(SiO3)4,-8.0445298353,-2.7294852411,0.2023859029,0.2023859029,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mn-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mn-O-Si +mp-1222211,Mg5Mn3Zn4(SiO6)4,-6.963331607,-2.4396260631,0.1170264138,0.1170264138,GGA+U,Cm,A5B3C24D4E4_mC80_8_a2b_3a_12a6b_4a_2b:Mg-Mn-O-Si-Zn,40.0,"Invalid WP multiplicities - A5B3C24D4E4_mC80_8_a2b_3a_12a12b_4a_3b:Mg-Mn-O-Si-Zn, expected Mg5Mn3Zn6(SiO9)4 to be Mg5Mn3Zn4(SiO6)4" +mp-1210608,MgMnSiO4,-8.0515573771,-2.9123619176,0.0,-0.0036089243,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Mg-Mn-O-Si,28.0,ABC4D_oP28_62_a_c_2cd_c:Mg-Mn-O-Si +mp-1036102,Mg14MnSiO16,-6.4434623772,-2.8141413334000003,0.1813060482,0.1813060482,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Si, expected Mg18MnSiO20 to be Mg14MnSiO16" +mp-1036087,Mg14MnSiO16,-6.4446392684,-2.8153182246,0.1801291569,0.1801291569,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Si, expected Mg30MnSiO32 to be Mg14MnSiO16" +mp-1250887,Mg3Mn2(Si2O7)2,-7.8670889609,-2.9070983169,0.0693714437,0.0693714437,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Mg-Mn-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Mg-Mn-O-Si, expected Mg3MnSi5O27 to be Mg3Mn2(Si2O7)2" +mp-1028099,Mg14MnSi,-2.2459687881,0.0659845883,0.1375652632,0.1375652632,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Si, expected Mg18MnSi to be Mg14MnSi" +mp-1028096,Mg14MnSi,-2.23798217,0.0739712064,0.1455518813,0.1455518813,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Si, expected Mg26MnSi to be Mg14MnSi" +mp-1234735,MgMn8(SiO3)10,-8.4677554659,-2.8034647715,0.0492319238,0.0492319238,GGA+U,P1,AB8C30D10_aP49_1_a_8a_30a_10a:Mg-Mn-O-Si,49.0,AB8C30D10_aP49_1_a_8a_30a_10a:Mg-Mn-O-Si +mp-1038039,Mg30MnSiO32,-6.3841775705,-2.9327748582,0.0919689822,0.0919689822,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Si, expected Mg90MnSiO80 to be Mg30MnSiO32" +mp-1038035,Mg30MnSiO32,-6.3831154133,-2.9317127011,0.0930311394,0.0930311394,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Si, expected Mg110MnSiO72 to be Mg30MnSiO32" +mp-1258129,Mg3Mn2(SiO4)3,-7.7848109008,-2.8467564328,0.0859789785,0.0859789785,GGA+U,I4_1/acd,A3B2C12D3_tI160_142_be_c_3g_ae:Mg-Mn-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_tI160_142_3b3e_c_37g_3a2e:Mg-Mn-O-Si, expected Mg9Mn2Si7O148 to be Mg3Mn2(SiO4)3" +mp-14044,Mg3Mn2(SiO4)3,-7.7566345571,-2.8185800892,0.1141553221,0.1141553221,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Mg-Mn-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Mg-Mn-O-Si +mp-1234076,MgMn4(Si4O11)2,-8.3376883683,-2.8954587367,0.060305615,0.060305615,GGA+U,P1,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si,35.0,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si +mp-1234983,MgMn4(Si4O11)2,-8.323371402,-2.8811417704,0.0746225813,0.0746225813,GGA+U,P1,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si,35.0,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si +mp-2220402,MgMn4(Si4O11)2,-8.283230282,-2.8410006504,0.1147637013,0.1147637013,GGA+U,P1,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si,35.0,AB4C22D8_aP35_1_a_4a_22a_8a:Mg-Mn-O-Si +mp-1233949,MgMn4(Si4O11)2,-8.2950242134,-2.8527945818,0.1029697699,0.1029697699,GGA+U,P-1,AB4C22D8_aP35_2_a_2i_11i_4i:Mg-Mn-O-Si,35.0,"Invalid WP multiplicities - AB4C22D8_aP35_2_a_3i_21i_7i:Mg-Mn-O-Si, expected MgMn6(SiO3)14 to be MgMn4(Si4O11)2" +mp-1234643,MgMn4(Si4O11)2,-8.224861228,-2.7826315964,0.1731327553,0.1731327553,GGA+U,P-1,AB4C22D8_aP35_2_a_2i_11i_4i:Mg-Mn-O-Si,35.0,"Invalid WP multiplicities - AB4C22D8_aP35_2_a_3i_21i_7i:Mg-Mn-O-Si, expected MgMn6(SiO3)14 to be MgMn4(Si4O11)2" +mp-1234803,MgMn4(Si4O11)2,-8.3178702583,-2.8756406267,0.080123725,0.080123725,GGA+U,P-1,AB4C22D8_aP35_2_a_2i_11i_4i:Mg-Mn-O-Si,35.0,"Invalid WP multiplicities - AB4C22D8_aP35_2_a_3i_21i_7i:Mg-Mn-O-Si, expected MgMn6(SiO3)14 to be MgMn4(Si4O11)2" +mp-2220263,MgMn4(Si4O11)2,-8.234514694,-2.7922850624,0.1634792893,0.1634792893,GGA+U,P-1,AB4C22D8_aP35_2_a_2i_11i_4i:Mg-Mn-O-Si,35.0,"Invalid WP multiplicities - AB4C22D8_aP35_2_a_3i_21i_7i:Mg-Mn-O-Si, expected MgMn6(SiO3)14 to be MgMn4(Si4O11)2" +mp-1022974,Mg6MnSi,-2.8949162275,0.1287104753,0.2521088795,0.2521088795,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Si, expected Mg12MnSi to be Mg6MnSi" +mp-1023005,Mg6MnSi,-2.89984591,0.1237807928,0.247179197,0.247179197,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Si, expected Mg12MnSi to be Mg6MnSi" +mp-1045867,Ba2Mn2ZnCuF14,-5.7404735118,-3.0263916973,0.0259941027,0.0259941027,GGA+U,C2/c,A2BC14D2E_mC80_15_f_a_7f_f_e:Ba-Cu-F-Mn-Zn,40.0,"Invalid WP multiplicities - A2BC14D2E_mC80_15_f_c_24f_f_e:Ba-Cu-F-Mn-Zn, expected Ba2Mn2ZnCuF48 to be Ba2Mn2ZnCuF14" +mp-1519738,BaSrCaSeO6,-6.285530492,-2.4065192902,0.1645762257,0.1645762257,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Se-Sr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Se-Sr +mp-1522463,BaSrCaSeO6,-6.427986798,-2.5489755962,0.0221199197,0.0221199197,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ca-O-Se-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ca-O-Se-Sr +mp-1228601,Ba4PrEu(Cu3O7)2,-6.5881808685,-2.1050005111,0.0155658124,0.0155658124,GGA,Cmmm,A4B6CD14E_oC52_65_2g_fq_a_3hpq_b:Ba-Cu-Eu-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oC52_65_4g_fq_a_5hpq_b:Ba-Cu-Eu-O-Pr, expected Ba8PrEu(CuO3)6 to be Ba4PrEu(Cu3O7)2" +mp-1518627,SmEuMn4O12,-7.7608345978,-1.5950616179,0.6404377208,0.6404377208,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Eu-Mn-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Eu-Mn-O-Sm, expected SmEuMn4O16 to be SmEuMn4O12" +mp-1228141,Ba3CaTa2O9,-8.521553216000001,-3.4550013253,0.0,-0.0581255091,GGA,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Ca-O-Ta,15.0,"Invalid WP multiplicities - A3BC9D2_hP15_164_ad_b_2e2i_d:Ba-Ca-O-Ta, expected Ba3CaTa2O18 to be Ba3CaTa2O9" +mp-1228312,Ba5Ca2Ta3O15,-8.2867572222,-3.3515677015,0.0204621644,0.0204621644,GGA,I4/m,A5B2C15D3_tI100_87_di_h_e5hi_abh:Ba-Ca-O-Ta,50.0,"Invalid WP multiplicities - A5B2C15D3_tI100_87_d2i_h_2e20h4i_ab2h:Ba-Ca-O-Ta, expected Ba9Ca2Ta5O58 to be Ba5Ca2Ta3O15" +mp-1228145,Ba6Ca2Ta(RuO6)3,-7.5333573187,-2.7251429369,0.0,-0.0026386554,GGA,P3m1,A6B2C18D3E_hP30_156_2a2b2c_2b_6d_a2c_a:Ba-Ca-O-Ru-Ta,30.0,A6B2C18D3E_hP30_156_2a2b2c_2b_6d_a2c_a:Ba-Ca-O-Ru-Ta +mp-1518826,BaCaCeNiO6,-7.1145019,-2.5827086077,0.1677683655,0.1677683655,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Ni-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Ni-O +mp-6416,Ba5Er8Zn4O21,-7.3507069045,-3.2702842056,0.0128623856,0.0128623856,GGA,I4/m,A5B8C21D4_tI76_87_ah_2h_bh2i_h:Ba-Er-O-Zn,38.0,"Invalid WP multiplicities - A5B8C21D4_tI76_87_ah_2h_b2h2i_h:Ba-Er-O-Zn, expected Ba5Er8Zn4O25 to be Ba5Er8Zn4O21" +mp-6495,BaEr2ZnO5,-7.4001421603,-3.2837421907,0.022205376,0.022205376,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Er-O-Zn,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Ba-Er-O-Zn, expected BaEr4ZnO5 to be BaEr2ZnO5" +mp-1228586,Ba2Er2Zn8O13,-5.8699965796,-2.3756649946,0.0529826833,0.0529826833,GGA,Cm,A2B2C13D8_mC50_8_2a_2a_5a4b_4a2b:Ba-Er-O-Zn,25.0,A2B2C13D8_mC50_8_2a_2a_5a4b_4a2b:Ba-Er-O-Zn +mp-1214708,Ba2ErZn2CuO7,-6.2082242015,-2.3889023893,0.0621088358,0.0621088358,GGA,Pmmm,A2BCD7E2_oP13_47_k_c_f_aijl_j:Ba-Cu-Er-O-Zn,13.0,A2BCD7E2_oP13_47_k_c_f_aijl_j:Ba-Cu-Er-O-Zn +mp-1518099,BaSrLaSbO6,-7.261621357,-3.0262604564,0.0131284005,0.0131284005,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-La-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-La-O-Sb-Sr, expected BaSrLaSbO12 to be BaSrLaSbO6" +mp-1517990,BaSrLaSbO6,-7.2551854663,-3.0198245657,0.0195642912,0.0195642912,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-La-O-Sb-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-La-O-Sb-Sr +mp-1518079,BaSrLaSbO6,-7.221673345,-2.9863124444,0.0530764125,0.0530764125,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-La-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-La-O-Sb-Sr +mp-1522982,BaCaNdBiO6,-6.969237343,-2.747902978,0.0235996435,0.0235996435,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-Nd-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-Nd-O, expected BaCaNdBiO12 to be BaCaNdBiO6" +mp-1522977,BaCaNdBiO6,-6.964736997,-2.743402632,0.0280999895,0.0280999895,GGA,P222,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Nd-O,40.0,ABCDE6_oP40_16_abch_u_defg_u_6u:Ba-Bi-Ca-Nd-O +mp-1522813,BaCaNdBiO6,-6.83709399,-2.615759625,0.1557429965,0.1557429965,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Nd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Nd-O +mp-1227369,BaSrYbReO6,-7.696660746,-2.9693871334,0.0125894324,0.0125894324,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Re-Sr-Yb,,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Re-Sr-Yb +mp-728687,YbRe3O16,-7.2410792115,-1.3400687507,0.48756811,0.48756811,GGA,P-1,A16B3C_aP40_2_16i_3i_i:O-Re-Yb,,A16B3C_aP40_2_16i_3i_i:O-Re-Yb +mp-1198151,YbRe3O16,-7.219316774,-1.3183063132,0.5093305475000001,0.5093305475000001,GGA,P2_1/c,A16B3C_mP80_14_16e_3e_e:O-Re-Yb,,A16B3C_mP80_14_16e_3e_e:O-Re-Yb +mp-13935,Ba2YbReO6,-7.744835184,-2.9946134227,0.0,-0.0748878795,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Yb +mp-1207623,Yb5(ReO6)2,-7.6868368579,-2.847502105,0.0589289933,0.0589289933,GGA,C2/m,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Yb,,A12B2C5_mC38_12_2i2j_h_a2i:O-Re-Yb +mp-613455,Yb(ReO4)3,-8.4241369741,-2.2845460759,0.0,-0.1199184908,GGA,P6_3/m,A12B3C_hP32_176_2hi_h_c:O-Re-Yb,,"Invalid WP multiplicities - A12B3C_hP32_176_7h5i_h_c:O-Re-Yb, expected Yb(ReO17)3 to be Yb(ReO4)3" +mp-1228114,Ba3SrYb2(ReO6)2,-7.720112021,-2.9813643341,0.0069306602,0.0069306602,GGA,R3m,A3B12C2DE2_hR60_160_3a_4b_2a_a_2a:Ba-O-Re-Sr-Yb,,"Invalid WP multiplicities - A3B12C2DE2_hR60_160_3a_12b_2a_a_2a:Ba-O-Re-Sr-Yb, expected Ba3SrYb2(ReO18)2 to be Ba3SrYb2(ReO6)2" +mp-1187535,YbReO3,-8.214844722,-2.4500044022000003,0.1415165783,0.1415165783,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Re-Yb,,A3BC_cP5_221_c_b_a:O-Re-Yb +mp-13941,Sr2YbReO6,-7.655357488,-2.9510320241,0.0183076848,0.0183076848,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Yb,,A6BC2D_cF40_225_e_a_c_b:O-Re-Sr-Yb +mp-1227728,BaSr3Yb2(ReO6)2,-7.6750647785,-2.9592652403,0.0163928971,0.0163928971,GGA,R3m,AB12C2D3E2_hR60_160_a_4b_2a_3a_2a:Ba-O-Re-Sr-Yb,,"Invalid WP multiplicities - AB12C2D3E2_hR60_160_a_12b_2a_3a_2a:Ba-O-Re-Sr-Yb, expected BaSr3Yb2(ReO18)2 to be BaSr3Yb2(ReO6)2" +mp-1209184,Yb6ReO12,-6.8005319953,-2.5351403426,0.2716071683,0.2716071683,GGA,P-1,A12BC6_aP19_2_6i_a_3i:O-Re-Yb,,A12BC6_aP19_2_6i_a_3i:O-Re-Yb +mp-1517280,Sr2HfCoO6,-7.814851131,-2.8023885311,0.107535271,0.107535271,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Hf-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Co-Hf-O-Sr +mp-1209728,Rb2CeTa6(Br5O)3,-5.9238687956,-1.584005308,0.3029392783,0.3029392783,GGA,P-31c,A15BC3D2E6_hP54_163_h2i_c_h_f_i:Br-Ce-O-Rb-Ta,54.0,A15BC3D2E6_hP54_163_h2i_c_h_f_i:Br-Ce-O-Rb-Ta +mp-630867,RbLiNd2(MoO4)4,-8.1380320492,-2.5148915648,0.009076285,0.009076285,GGA+U,C2/c,AB4C2D16E_mC96_15_e_2f_f_8f_e:Li-Mo-Nd-O-Rb,48.0,"Invalid WP multiplicities - AB4C2D16E_mC96_15_e_6f_f_27f_e:Li-Mo-Nd-O-Rb, expected RbLiNd2(Mo2O9)6 to be RbLiNd2(MoO4)4" +mp-866741,LiNd9Mo16O35,-8.6876130508,-2.2697973719,0.291834882,0.291834882,GGA+U,C2/m,AB16C9D35_mC122_12_b_2i3j_a2ij_c5i6j:Li-Mo-Nd-O,61.0,AB16C9D35_mC122_12_a_2i3j_b2ij_c5i6j:Li-Mo-Nd-O +mp-1211174,LiNd(MoO4)2,-8.1516703775,-2.4898470267,0.0251565842,0.0251565842,GGA+U,P2/c,AB2CD8_mP24_13_e_g_f_4g:Li-Mo-Nd-O,24.0,AB2CD8_mP24_13_e_g_f_4g:Li-Mo-Nd-O +mp-1222327,LiNd(MoO4)2,-8.154283905,-2.4924605542,0.0225430567,0.0225430567,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:Li-Mo-Nd-O,12.0,"Invalid WP multiplicities - AB2CD8_tI24_82_a_bc_d_3g:Li-Mo-Nd-O, expected LiNd(MoO6)2 to be LiNd(MoO4)2" +mp-1219083,SmDyFe17,-8.0609516195,0.0082975145,0.0228913308,0.0228913308,GGA,R3m,AB17C_hR57_160_a_2a3bc_a:Dy-Fe-Sm,19.0,AB17C_hR57_160_a_2a3bc_a:Dy-Fe-Sm +mp-1518584,SmDy(CoO3)4,-6.9220419328,-1.5265470056,0.2880456143,0.2880456143,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Dy-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Dy-O-Sm, expected SmDy(CoO4)4 to be SmDy(CoO3)4" +mp-1219091,SmDyFe4,-7.226046685,-0.0251370492,0.0210767025,0.0210767025,GGA,F-43m,AB4C_cF24_216_a_e_c:Dy-Fe-Sm,6.0,AB4C_cF24_216_a_e_c:Dy-Fe-Sm +mp-1220339,Nd2CdSb4,-4.6647648286,-0.8111663164,0.0,-0.0109888489,GGA,P-4m2,AB2C4_tP7_115_c_g_abg:Cd-Nd-Sb,7.0,AB2C4_tP7_115_c_g_abg:Cd-Nd-Sb +mp-1206232,Nd2CdSb3,-1.9753705333,1.8323275242,2.7315289417,2.7315289417,GGA,P4/mmm,AB2C3_tP6_123_a_g_bg:Cd-Nd-Sb,6.0,AB2C3_tP6_123_a_g_bg:Cd-Nd-Sb +mp-1209870,Nd3TiSb5,-5.7730047828,-1.0124558368,0.01258421,0.01258421,GGA,P6_3/mcm,A3B5C_hP18_193_g_dg_b:Nd-Sb-Ti,18.0,A3B5C_hP18_193_g_dg_b:Nd-Sb-Ti +mp-1220084,NdTiCdSbO7,-7.5344800045,-2.7760844202,0.0009563598,-0.0141642352,GGA,Imma,ABC7DE_oI44_74_a_c_3ej_d_b:Cd-Nd-O-Sb-Ti,22.0,"Invalid WP multiplicities - ABC7DE_oI44_74_a_c_5e2j_d_b:Cd-Nd-O-Sb-Ti, expected NdTiCdSbO13 to be NdTiCdSbO7" +mp-39419,NdTiCdSbO7,-7.5354363643,-2.77704078,0.0,-0.015120595,GGA,P4_122,ABC7DE_tP44_91_a_b_3c2d_a_b:Cd-Nd-O-Sb-Ti,44.0,"Invalid WP multiplicities - ABC7DE_tP44_91_a_b_11c10d_a_b:Cd-Nd-O-Sb-Ti, expected NdTiCdSbO31 to be NdTiCdSbO7" +mp-2233316,MgFe2Cu6SnS8,-5.0005902,-0.5429939067,0.1189227189,0.1189227189,GGA,C2,A6B2CD8E_mC36_5_2b2c_ab_a_4c_a:Cu-Fe-Mg-S-Sn,18.0,"Invalid WP multiplicities - A6B2CD8E_mC36_5_2b4c_ab_a_7c_a:Cu-Fe-Mg-S-Sn, expected MgFe2Cu10SnS14 to be MgFe2Cu6SnS8" +mp-2232823,MgFe2Cu6SnS8,-4.9895030717,-0.5319067783,0.1300098472,0.1300098472,GGA,Pmm2,A6B2CD8E_oP18_25_adi_2b_a_efgh_c:Cu-Fe-Mg-S-Sn,18.0,"Invalid WP multiplicities - A6B2CD8E_oP18_25_ad2i_2b_a_2ef2gh_c:Cu-Fe-Mg-S-Sn, expected MgFe2Cu10SnS12 to be MgFe2Cu6SnS8" +mp-2232954,MgFe2Cu6SnS8,-4.958885485,-0.5012891917,0.1606274339,0.1606274339,GGA,P-4m2,A6B2CD8E_tP18_115_gh_ad_b_jk_c:Cu-Fe-Mg-S-Sn,18.0,"Invalid WP multiplicities - A6B2CD8E_tP18_115_2g2h_ad_b_2j2k_c:Cu-Fe-Mg-S-Sn, expected MgFe2Cu12SnS16 to be MgFe2Cu6SnS8" +mp-2217569,MgFeCu5S4,-4.6442215355,-0.3613002557,0.2582495289,0.2582495289,GGA,R3m,A5BCD4_hR33_160_5a_a_a_4a:Cu-Fe-Mg-S,11.0,A5BCD4_hR33_160_5a_a_a_4a:Cu-Fe-Mg-S +mp-2217662,MgFeCu5S4,-4.6635697282,-0.3806484484,0.2389013362,0.2389013362,GGA,R3m,A5BCD4_hR33_160_5a_a_a_4a:Cu-Fe-Mg-S,11.0,A5BCD4_hR33_160_5a_a_a_4a:Cu-Fe-Mg-S +mp-2217071,MgFe2(CuS2)2,-5.3682585422,-0.5588657336,0.2650523856,0.2650523856,GGA,C2,A2B2CD4_mC18_5_c_c_a_abc:Cu-Fe-Mg-S,9.0,"Invalid WP multiplicities - A2B2CD4_mC18_5_c_c_a_ab2c:Cu-Fe-Mg-S, expected MgFe2(CuS3)2 to be MgFe2(CuS2)2" +mp-2217130,MgFe2(CuS2)2,-5.3917528022,-0.5823599936,0.2415581256,0.2415581256,GGA,C2,A2B2CD4_mC18_5_ab_ab_a_2c:Cu-Fe-Mg-S,9.0,"Invalid WP multiplicities - A2B2CD4_mC18_5_ab_ab_a_4c:Cu-Fe-Mg-S, expected MgFe2(CuS4)2 to be MgFe2(CuS2)2" +mp-2217227,MgFe2(CuS2)2,-5.2743162544,-0.4649234458,0.3589946733,0.3589946733,GGA,P-42m,A2B2CD4_tP9_111_e_bc_a_n:Cu-Fe-Mg-S,9.0,A2B2CD4_tP9_111_e_bc_a_n:Cu-Fe-Mg-S +mp-2217276,MgFe2(CuS2)2,-5.2274963089,-0.4181035003,0.4058146189,0.4058146189,GGA,P-42m,A2B2CD4_tP9_111_bc_e_a_n:Cu-Fe-Mg-S,9.0,A2B2CD4_tP9_111_bc_e_a_n:Cu-Fe-Mg-S +mp-2222760,MgFeCu2SnS4,-4.8215392067,-0.5077518819,0.3028581157,0.3028581157,GGA,P222,A2BCD4E_oP9_16_bh_c_a_u_d:Cu-Fe-Mg-S-Sn,9.0,"Invalid WP multiplicities - A2BCD4E_mP9_3_ac_d_a_3e_b:Cu-Fe-Mg-S-Sn, expected MgFeCu2SnS6 to be MgFeCu2SnS4" +mp-2222817,MgFeCu2SnS4,-4.8515993244,-0.5378119997,0.2727979979,0.2727979979,GGA,I222,A2BCD4E_oI18_23_f_a_c_k_b:Cu-Fe-Mg-S-Sn,9.0,A2BCD4E_oI18_23_f_a_c_k_b:Cu-Fe-Mg-S-Sn +mp-2239961,MgFeCu2SnS4,-4.7957055178,-0.4819181931,0.3286918046,0.3286918046,GGA,P-42m,A2BCD4E_tP9_111_e_b_a_n_c:Cu-Fe-Mg-S-Sn,9.0,A2BCD4E_tP9_111_e_b_a_n_c:Cu-Fe-Mg-S-Sn +mp-2239950,MgFeCu2SnS4,-4.8484051767,-0.5346178519,0.2759921457,0.2759921457,GGA,P-42m,A2BCD4E_tP9_111_e_c_a_n_b:Cu-Fe-Mg-S-Sn,9.0,A2BCD4E_tP9_111_e_c_a_n_b:Cu-Fe-Mg-S-Sn +mp-2225592,MgFeCuS2,-5.129528286,-0.6410467532,0.333140541,0.333140541,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Mg-S,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Mg-S +mp-2226158,MgFeCuS2,-4.969938826,-0.4814572932,0.492730001,0.492730001,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Mg-S,5.0,ABCD2_hP5_156_a_b_c_ab:Cu-Fe-Mg-S +mp-2224233,MgFeCuS2,-4.923764792,-0.4352832592,0.5389040350000001,0.5389040350000001,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-S +mp-2226151,MgFeCuS2,-4.9087025440000005,-0.4202210112,0.5539662830000001,0.5539662830000001,GGA,R3m,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-S,5.0,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-S +mp-1218143,SrNdMnCoO6,-7.671427362,-2.430616738,0.0871095817,0.0871095817,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Co-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Co-Mn-Nd-O-Sr +mp-2225317,Sr2MgCrSbO6,-6.6518166291,-2.2480486351,0.44123706,0.44123706,GGA+U,C2/m,ABC6DE2_mC22_12_b_a_ij_c_i:Cr-Mg-O-Sb-Sr,11.0,ABC6DE2_mC22_12_a_b_ij_c_i:Cr-Mg-O-Sb-Sr +mp-1043129,ZnFe4(CuO4)3,-6.590707077,-1.2508214272,0.1029783912,0.1029783912,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Zn,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Zn +mp-1041420,ZnFe2(CuO4)2,-6.1407711512,-1.0660243004,0.1995135274,0.1995135274,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cu-Fe-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_6e_5e_26e_e:Cu-Fe-O-Zn, expected ZnFe5(Cu3O13)2 to be ZnFe2(CuO4)2" +mp-1215656,ZnFe4CuO8,-7.1948994964,-1.56543201,0.0521684457,0.0521684457,GGA+U,R3m,AB4C8D_hR42_160_a_ab_2a2b_a:Cu-Fe-O-Zn,14.0,AB4C8D_hR42_160_a_ab_2a2b_a:Cu-Fe-O-Zn +mp-1020009,Li2Ca2Si2O7,-7.2937784599,-3.1932782651,0.0100060007,0.0100060007,GGA,P6_122,A2B2C7D2_hP78_178_ab_c_b3c_c:Ca-Li-O-Si,78.0,A2B2C7D2_hP78_178_ab_c_b3c_c:Ca-Li-O-Si +mp-1191141,SrLi2SiO4,-6.8626926754,-3.0227661677,0.0,-0.0200056825,GGA,P3_121,A2B4CD_hP24_152_c_2c_a_b:Li-O-Si-Sr,24.0,A2B4CD_hP24_152_c_2c_a_b:Li-O-Si-Sr +mp-560247,Li2Ca2Si5O13,-7.750269237,-3.2383333784,0.0090139776,0.0090139776,GGA,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Ca-Li-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_2i_2i_24i_9i:Ca-Li-O-Si, expected Li2Ca2(Si3O8)3 to be Li2Ca2Si5O13" +mp-556137,Li2Ca4Si4O13,-7.5588615609,-3.3045802296,0.0054488402,0.0054488402,GGA,P-1,A4B2C13D4_aP46_2_4i_2i_13i_4i:Ca-Li-O-Si,46.0,"Invalid WP multiplicities - A4B2C13D4_aP46_2_8i_4i_26i_6i:Ca-Li-O-Si, expected Li2Ca4Si3O13 to be Li2Ca4Si4O13" +mp-555089,SrLi4Ca(SiO4)2,-6.8967884984,-3.0371053391,0.0,-0.0102196657,GGA,Pbcm,AB4C8D2E_oP64_57_a_2e_2d3e_cd_d:Ca-Li-O-Si-Sr,64.0,"Invalid WP multiplicities - AB4C8D2E_oP64_57_a_12e_7d16e_cd_d:Ca-Li-O-Si-Sr, expected SrLi24CaSi2O39 to be SrLi4Ca(SiO4)2" +mp-1209083,Sr2LiSiO4,-6.69354521,-2.881047379,0.15980279,0.15980279,GGA,P3_121,AB4CD2_hP24_152_a_2c_b_c:Li-O-Si-Sr,24.0,AB4CD2_hP24_152_a_2c_b_c:Li-O-Si-Sr +mp-7610,Li2CaSiO4,-6.91044499,-3.031005179,0.0,-0.0047210948,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Ca-Li-O-Si,8.0,AB2C4D_tI16_121_a_d_i_b:Ca-Li-O-Si +mp-1518412,BaEuTiBiO6,-8.148024016,-2.7888150006,0.1695549654,0.1695549654,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Ti +mp-1518544,BaEuTiBiO6,-8.2111758997,-2.8519668843,0.1064030817,0.1064030817,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Eu-O-Ti,,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Eu-O-Ti +mp-1519243,BaSmFeSnO6,-7.412569746,-2.5328411053,0.1635582217,0.1635582217,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Fe-O-Sm-Sn,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Fe-O-Sm-Sn +mp-1046936,Sr2GaCo2O7,-6.5389319658,-1.934720341,0.2288201978,0.2288201978,GGA+U,C2,A2BC7D2_mC48_5_2c_c_7c_2c:Co-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_5_3c_c_14c_2c:Co-Ga-O-Sr, expected Sr2GaCo3O14 to be Sr2GaCo2O7" +mp-1367883,Sr2GaCo2O7,-6.3625614404,-1.7583498156,0.4051907232,0.4051907232,GGA+U,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Co-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_oI48_46_c_b_2b7c_c:Co-Ga-O-Sr, expected Sr2Ga(CoO8)2 to be Sr2GaCo2O7" +mp-1097119,AlGaCo2,-3.07324076,2.1743361006,2.6227641625,2.62107574,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Co-Ga,4.0,AB2C_oI8_71_a_e_b:Al-Co-Ga +mp-1228893,AlGaCo2,-5.6960049225,-0.4484280619,0.0,-0.0016884225,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Al-Co-Ga,4.0,AB2C_tP4_123_a_h_b:Al-Co-Ga +mp-1183148,AlGaCo2,-5.6932553775,-0.4456785169,0.002749545,0.0010611225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Co-Ga,4.0,AB2C_cF16_225_a_c_b:Al-Co-Ga +mp-1046779,Sr2AlGaCo2O7,-6.9196635238,-2.3815008063,0.1457665383,0.1457665383,GGA+U,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-Co-Ga-O-Sr,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-Co-Ga-O-Sr +mp-1252807,Sr2AlGaCo2O7,-6.9204392454,-2.3822765279,0.1449908167,0.1449908167,GGA+U,C2,AB2CD7E2_mC52_5_ab_2c_c_7c_2c:Al-Co-Ga-O-Sr,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-Co-Ga-O-Sr +mp-677550,Ca5Al12Si12(AgO24)2,-7.7766164291,-3.1793392662,0.1224493896,0.1224493896,GGA,P1,A2B12C5D48E12_aP79_1_2a_12a_5a_48a_12a:Ag-Al-Ca-O-Si,79.0,A2B12C5D48E12_aP79_1_2a_12a_5a_48a_12a:Ag-Al-Ca-O-Si +mp-686702,Ca4Al11Si13(AgO16)3,-7.7395218911,-3.1105143697,0.1164777678,0.1164777678,GGA,P1,A3B11C4D48E13_aP79_1_3a_11a_4a_48a_13a:Ag-Al-Ca-O-Si,79.0,A3B11C4D48E13_aP79_1_3a_11a_4a_48a_13a:Ag-Al-Ca-O-Si +mp-1258227,Ca2AlAgO5,-6.4320849033,-2.5073321089,0.1014427901,0.1014427901,GGA,Cc,ABC2D5_mC36_9_a_a_2a_5a:Ag-Al-Ca-O,18.0,"Invalid WP multiplicities - ABC2D5_mC36_9_a_a_3a_8a:Ag-Al-Ca-O, expected Ca3AlAgO8 to be Ca2AlAgO5" +mp-1375904,Ca2AlAgO5,-6.4253180833,-2.5005652889,0.1082096101,0.1082096101,GGA,Ima2,ABC2D5_oI36_46_a_b_c_b2c:Ag-Al-Ca-O,18.0,ABC2D5_oI36_46_a_b_c_b2c:Ag-Al-Ca-O +mp-1248597,Ca3Si4(AgO7)2,-7.1622799193,-2.6998092357,0.0622044268,0.0622044268,GGA,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Ag-Ca-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Ag-Ca-O-Si, expected Ca3Si5AgO27 to be Ca3Si4(AgO7)2" +mp-11430,Ca3Al7Ag2,-3.4777664317,-0.3193545603,0.0,-0.0509330579,GGA,R-3m,A2B7C3_hR36_166_c_ah_bc:Ag-Al-Ca,12.0,"Invalid WP multiplicities - A2B7C3_hR36_166_c_a2h_bc:Ag-Al-Ca, expected Ca3Al13Ag2 to be Ca3Al7Ag2" +mp-706809,Ca2Al11Si13Ag7O48,-7.4696456573,-2.8645762938,0.1227225425,0.1227225425,GGA,P1,A7B11C2D48E13_aP81_1_7a_11a_2a_48a_13a:Ag-Al-Ca-O-Si,81.0,A7B11C2D48E13_aP81_1_7a_11a_2a_48a_13a:Ag-Al-Ca-O-Si +mp-1234407,CaSi2(AgO)8,-5.3350364437,-1.3829209881,0.1936524063,0.1936524063,GGA,P2,A8BC8D2_mP19_3_4e_a_4e_bc:Ag-Ca-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_mP19_3_6e_b_8e_ac:Ag-Ca-O-Si, expected CaSi2(Ag3O4)4 to be CaSi2(AgO)8" +mp-1234365,CaSi2(AgO)8,-5.27220833,-1.3200928744,0.25648052,0.25648052,GGA,P-4,A8BC8D2_tP19_81_2h_a_2h_bc:Ag-Ca-O-Si,19.0,"Invalid WP multiplicities - A8BC8D2_tP19_81_3h_a_6h_bc:Ag-Ca-O-Si, expected CaSi2(AgO2)12 to be CaSi2(AgO)8" +mp-29570,Ca2Si3Ag,-4.3113092825,-0.4580243069,0.0,-0.1204436961,GGA,Fmmm,AB2C3_oF48_69_g_fh_gn:Ag-Ca-Si,12.0,"Invalid WP multiplicities - AB2C3_oF48_69_g_2f2h_gn:Ag-Ca-Si, expected Ca4Si3Ag to be Ca2Si3Ag" +mp-1157153,Ca3Si3(AgO6)2,-6.9437642938,-2.5778577802,0.1082531183,0.1082531183,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Ag-Ca-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Ag-Ca-O-Si +mp-1446611,BaTiAlCuO5,-7.1880521433,-2.4777529197,0.5411459385,0.5411459385,GGA,P4mm,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Ti,9.0,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Ti +mp-864837,Nd2CuRu,-5.89870309,-0.1712270712,0.0299157638,0.0299157638,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Nd-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Nd-Ru +mp-22666,NdCu3(RuO3)4,-7.2281937795,-1.5520116726,0.0358529138,0.0358529138,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Nd-O-Ru,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Nd-O-Ru +mp-1218771,Sr2NdCu2RuO9,-6.7935941907,-2.1175842826,0.061349909,0.061349909,GGA,P-3m1,A2BC9DE2_hP15_164_d_a_ei_b_d:Cu-Nd-O-Ru-Sr,15.0,"Invalid WP multiplicities - A2BC9DE2_hP15_164_d_a_2e2i_b_d:Cu-Nd-O-Ru-Sr, expected Sr2NdCu2RuO18 to be Sr2NdCu2RuO9" +mp-1218490,Sr3NdCuRuO8,-7.0139941386,-2.5294408034,0.0532916524,0.0532916524,GGA,Amm2,ABC8DE3_oC28_38_a_a_2a2bf_b_a2b:Cu-Nd-O-Ru-Sr,14.0,ABC8DE3_oC28_38_a_a_2a2bf_b_a2b:Cu-Nd-O-Ru-Sr +mp-1233439,CaNb2Te4Cl10O,-4.80684282,-1.5727601064,0.0671055722,0.0671055722,GGA,P1,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te,18.0,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te +mp-1233548,CaNb2Te4Cl10O,-4.7769558067,-1.5428730931,0.0969925856,0.0969925856,GGA,P1,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te,18.0,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te +mp-1233587,CaNb2Te4Cl10O,-4.768880775,-1.5347980614,0.1050676172,0.1050676172,GGA,P1,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te,18.0,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te +mp-1234172,CaNb2Te4Cl10O,-4.7876335183,-1.5535508047,0.0863148739,0.0863148739,GGA,P1,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te,18.0,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te +mp-1234722,CaNb2Te4Cl10O,-4.7768637317,-1.5427810181,0.0970846606,0.0970846606,GGA,P1,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te,18.0,AB10C2DE4_aP18_1_a_10a_2a_a_4a:Ca-Cl-Nb-O-Te +mp-532700,Sr3La21Zn2(Cu5O24)2,-7.5735213486,-2.9345065673,0.0578607324,0.0578607324,GGA,Pm,A10B21C48D3E2_mP84_6_5a5b_10a11b_12a12b12c_2ab_ab:Cu-La-O-Sr-Zn,84.0,"Invalid WP multiplicities - A10B21C48D3E2_mP84_6_5a5b_10a11b_12a12b24c_2ab_ab:Cu-La-O-Sr-Zn, expected Sr3La21Zn2(Cu5O36)2 to be Sr3La21Zn2(Cu5O24)2" +mp-1344825,Sr9Zn3(CuO7)2,-5.8619240196,-2.4177551908,0.1107963434,0.1107963434,GGA,P1,A2B14C9D3_aP28_1_2a_14a_9a_3a:Cu-O-Sr-Zn,28.0,A2B14C9D3_mC56_8_2a_14a_9a_3a:Cu-O-Sr-Zn +mp-1173179,SrLa7ZnCu3O16,-7.5555275696,-2.9503159201,0.0617937444,0.0617937444,GGA,P1,A3B7C16DE_aP28_1_3a_7a_16a_a_a:Cu-La-O-Sr-Zn,28.0,A3B7C16DE_aP28_1_3a_7a_16a_a_a:Cu-La-O-Sr-Zn +mp-1377393,Sr9Zn2(CuO7)2,-5.8665489693,-2.3414755027,0.1922580635,0.1922580635,GGA,Cm,A2B14C9D2_mC54_8_2a_14a_9a_2a:Cu-O-Sr-Zn,27.0,A2B14C9D2_mC54_8_2a_14a_9a_2a:Cu-O-Sr-Zn +mp-695252,Sr2La14Zn3Cu5O32,-7.5251879157,-2.9706809636,0.0696169466,0.0696169466,GGA,Pm,A5B14C32D2E3_mP56_6_3a2b_6a8b_8a8b8c_2a_a2b:Cu-La-O-Sr-Zn,56.0,"Invalid WP multiplicities - A5B14C32D2E3_mP56_6_3a2b_6a8b_8a8b16c_2a_a2b:Cu-La-O-Sr-Zn, expected Sr2La14Zn3Cu5O48 to be Sr2La14Zn3Cu5O32" +mp-555609,Sr9Zn4(CuO7)2,-5.8624634624,-2.4936196411,0.0,-0.0083731697,GGA,C2/m,A2B14C9D4_mC58_12_i_7i_a4i_2i:Cu-O-Sr-Zn,29.0,"Invalid WP multiplicities - A2B14C9D4_mC58_12_i_14i_a7i_3i:Cu-O-Sr-Zn, expected Sr15Zn6(CuO14)2 to be Sr9Zn4(CuO7)2" +mp-1191858,Tl4CuTeO6,-5.0194670838,-1.155032299,0.0,-0.0190381956,GGA,P-1,AB6CD4_aP24_2_i_6i_i_4i:Cu-O-Te-Tl,24.0,AB6CD4_aP24_2_i_6i_i_4i:Cu-O-Te-Tl +mp-1191912,NaTl3Cu4(TeO6)2,-5.3467228814,-1.235170257,0.0094336494,0.0094336494,GGA,C2/m,A4BC12D2E3_mC44_12_j_a_2i2j_i_bh:Cu-Na-O-Te-Tl,22.0,A4BC12D2E3_mC44_12_j_a_2i2j_i_bh:Cu-Na-O-Te-Tl +mp-1523202,SrNdCoSbO6,-7.145164481,-2.4076552622,0.2158962197,0.2158962197,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Co-Nd-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Co-Nd-O-Sb-Sr +mp-3432,ScNiSb,-6.37746292,-0.9635939117,0.0,-0.2449900865,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Sc,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Sc +mp-2234090,MgScNi2SbO6,-6.8756580491,-2.0300075016,0.2872629561,0.2872629561,GGA+U,P1,AB2C6DE_aP11_1_a_2a_6a_a_a:Mg-Ni-O-Sb-Sc,11.0,AB2C6DE_aP11_1_a_2a_6a_a_a:Mg-Ni-O-Sb-Sc +mp-2234092,MgScNi2SbO6,-6.8842883455,-2.038637798,0.2786326597,0.2786326597,GGA+U,P1,AB2C6DE_aP11_1_a_2a_6a_a_a:Mg-Ni-O-Sb-Sc,11.0,AB2C6DE_aP11_1_a_2a_6a_a_a:Mg-Ni-O-Sb-Sc +mp-2234075,MgScNi2SbO6,-6.9128018318,-2.0671512843,0.2501191734,0.2501191734,GGA+U,R3,AB2C6DE_hR33_146_a_2a_2b_a_a:Mg-Ni-O-Sb-Sc,11.0,AB2C6DE_hR33_146_a_2a_2b_a_a:Mg-Ni-O-Sb-Sc +mp-2234085,MgScNi2SbO6,-6.9311927709,-2.0855422234,0.2317282343,0.2317282343,GGA+U,R3,AB2C6DE_hR33_146_a_2a_2b_a_a:Mg-Ni-O-Sb-Sc,11.0,AB2C6DE_hR33_146_a_2a_2b_a_a:Mg-Ni-O-Sb-Sc +mp-1078244,ScNi2SbO6,-7.348634636,-2.1784470387,0.0,-0.0118952166,GGA+U,R3,A2B6CD_hR30_146_2a_2b_a_a:Ni-O-Sb-Sc,10.0,A2B6CD_hR30_146_2a_2b_a_a:Ni-O-Sb-Sc +mp-1097450,MgScNi2,-3.0939774825,1.7792781462,2.1755349026,2.1755349026,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Ni-Sc,4.0,AB2C_oI8_71_a_e_b:Mg-Ni-Sc +mp-1516741,PrEuFeCuO6,-3.4132940062,2.315432764,4.7280129503,4.7280129503,GGA+U,Pnnn,ABCD6E_oP40_48_e_ab_f_3m_cd:Cu-Eu-Fe-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_f_6m_2c2d:Cu-Eu-Fe-O-Pr, expected Pr2EuFeCuO12 to be PrEuFeCuO6" +mp-1228865,Ba10Ce(Bi3O10)3,-6.54158726,-2.3798292187,0.0,-0.0010025106,GGA,P-1,A10B9CD30_aP50_2_5i_a4i_d_15i:Ba-Bi-Ce-O,50.0,"Invalid WP multiplicities - A10B9CD30_aP50_2_10i_a6i_d_30i:Ba-Bi-Ce-O, expected Ba20CeBi13O60 to be Ba10Ce(Bi3O10)3" +mp-1228427,Ba2CeBiO6,-7.229984915,-2.9008188717000003,0.0174739263,0.0174739263,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Ba-Bi-Ce-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_d_5e:Ba-Bi-Ce-O, expected Ba2CeBiO10 to be Ba2CeBiO6" +mp-1519226,Ba2CeBiO6,-7.2218796697,-2.8927136265,0.0255791716,0.0255791716,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Ce-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Ce-O +mp-1519364,Ba2CeBiO6,-7.199327429,-2.8701613858,0.0481314123,0.0481314123,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ce-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ce-O +mp-1518927,BaSrCeBiO6,-7.215635139,-2.9094172444,0.0252371191,0.0252371191,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Bi-Ce-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Bi-Ce-O-Sr, expected BaSrCeBiO12 to be BaSrCeBiO6" +mp-1519122,BaSrCeBiO6,-7.1978840683,-2.8916661737,0.0429881899,0.0429881899,GGA,P222,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Bi-Ce-O-Sr,40.0,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Bi-Ce-O-Sr +mp-1518903,BaSrCeBiO6,-7.126773786,-2.8205558914,0.1140984721,0.1140984721,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ce-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ce-O-Sr +mp-1228252,Ba4Ce2BiO12,-7.0668076379,-2.7119217571,0.1300312444,0.1300312444,GGA,P-1,A4BC2D12_aP19_2_2i_b_ae_6i:Ba-Bi-Ce-O,19.0,"Invalid WP multiplicities - A4BC2D12_aP19_2_4i_b_ae_12i:Ba-Bi-Ce-O, expected Ba8Ce2BiO24 to be Ba4Ce2BiO12" +mp-1516571,NaPrDyMnO6,-7.565692257,-2.6104557122000003,0.1989121013,0.1989121013,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Na-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Na-O-Pr +mp-1173624,Nd5Te7MoCl3O23,-6.8913404271,-2.3782896869,0.0,-0.0179297858,GGA+U,C2,A3BC5D23E7_mC156_5_2a2bc_c_2a4c_23c_7c:Cl-Mo-Nd-O-Te,78.0,"Invalid WP multiplicities - A3BC5D23E7_mC156_5_2a2bc_c_2a6c_33c_10c:Cl-Mo-Nd-O-Te, expected Nd7Te10Mo(ClO11)3 to be Nd5Te7MoCl3O23" +mp-1199278,NdMoClO4,-7.9927877563,-2.6714893209,0.0,-0.0313762347,GGA+U,Pbam,ABCD4_oP56_55_gh_gh_gh_2g2h2i:Cl-Mo-Nd-O,56.0,ABCD4_oP56_55_gh_gh_gh_2g2h2i:Cl-Mo-Nd-O +mp-1181345,Nd2Te(MoO7)6,-6.5586379716,-0.9603158678,0.4767678258,0.4767678258,GGA+U,P-1,A6B2C42D_aP51_2_3i_i_21i_a:Mo-Nd-O-Te,51.0,A6B2C42D_aP51_2_3i_i_21i_a:Mo-Nd-O-Te +mp-1221306,Nd2Te(Mo3O23)2,-6.3105393947,-0.7596088104000001,0.5729597054000001,0.5729597054000001,GGA+U,P-1,A6B2C46D_aP55_2_3i_i_23i_a:Mo-Nd-O-Te,55.0,A6B2C46D_aP55_2_3i_i_23i_a:Mo-Nd-O-Te +mp-558484,Nd2Te3MoO12,-7.3086312351,-2.354624169,0.0,-0.0127188004,GGA+U,Pnma,AB2C12D3_oP72_62_c_d_4c4d_cd:Mo-Nd-O-Te,72.0,"Invalid WP multiplicities - AB2C12D3_oP72_62_c_d_15c28d_3c3d:Mo-Nd-O-Te, expected Nd2Te9MoO71 to be Nd2Te3MoO12" +mp-561180,Nd2Te4MoO14,-7.0964006064,-2.2293143919,0.0025850166,0.0025850166,GGA+U,P-1,AB2C14D4_aP42_2_i_2i_14i_4i:Mo-Nd-O-Te,42.0,"Invalid WP multiplicities - AB2C14D4_aP42_2_i_2i_27i_7i:Mo-Nd-O-Te, expected Nd2Te7MoO27 to be Nd2Te4MoO14" +mp-1218815,Sr2GdMnCrO7,-8.7447618858,-2.8366791452,0.0684461068,0.0684461068,GGA+U,I4mm,ABCD7E2_tI24_107_a_a_a_3a2b_2a:Cr-Gd-Mn-O-Sr,12.0,ABCD7E2_tI24_107_a_a_a_3a2b_2a:Cr-Gd-Mn-O-Sr +mp-1032331,Mg6CrCuO8,-6.5602055819,-2.6272403238,0.4023299973,0.4023299973,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cr-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cr-Cu-Mg-O, expected Mg6CrCuO12 to be Mg6CrCuO8" +mp-1032334,Mg6CrCuO8,-6.5766484925,-2.6436832344,0.3858870867,0.3858870867,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-Cu-Mg-O, expected Mg6CrCuO12 to be Mg6CrCuO8" +mp-1302062,MgCr4(CuO4)3,-7.374068196,-1.7805504723,0.9994762135,0.9994762135,GGA+U,Im-3,A4B3CD12_cI40_204_c_b_a_g:Cr-Cu-Mg-O,20.0,A4B3CD12_cI40_204_c_b_a_g:Cr-Cu-Mg-O +mp-1037287,Mg30CrCuO32,-6.3906693456,-2.9523147456,0.0956080592,0.0956080592,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-Cu-Mg-O, expected Mg90CrCuO80 to be Mg30CrCuO32" +mp-1037288,Mg30CrCuO32,-6.3866083981,-2.9482537981,0.0996690067,0.0996690067,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-Cu-Mg-O, expected Mg110CrCuO72 to be Mg30CrCuO32" +mp-1041768,MgCr2CuO7,-7.2444898592,-1.8233623466,0.8818525342,0.8818525342,GGA+U,P2/c,A2BCD7_mP66_13_3g_eg_eg_f10g:Cr-Cu-Mg-O,66.0,"Invalid WP multiplicities - A2BCD7_mP66_13_9g_2e3g_2e3g_2f38g:Cr-Cu-Mg-O, expected Mg4Cr9Cu4O39 to be MgCr2CuO7" +mp-1035284,Mg14CrCuO16,-6.4512411328,-2.8480163134,0.1937889968,0.1937889968,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-Cu-Mg-O, expected Mg18CrCuO20 to be Mg14CrCuO16" +mp-1035311,Mg14CrCuO16,-6.4456013484,-2.8423765291,0.1994287812,0.1994287812,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cr-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cr-Cu-Mg-O, expected Mg30CrCuO32 to be Mg14CrCuO16" +mp-2232473,MgCr4(CuO4)2,-7.8350647807,-1.9694385833,1.1985695723,1.1985695723,GGA+U,C2,A4B2CD8_mC30_5_abc_c_a_4c:Cr-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_abc_c_a_7c:Cr-Cu-Mg-O, expected MgCr4(CuO7)2 to be MgCr4(CuO4)2" +mp-2232401,MgCr4(CuO4)2,-7.2142718447,-1.3486456473,1.8193625083,1.8193625083,GGA+U,I-4m2,A4B2CD8_tI30_119_i_ac_b_2i:Cr-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_tI30_119_i_ac_b_4i:Cr-Cu-Mg-O, expected MgCr4(CuO8)2 to be MgCr4(CuO4)2" +mp-2219898,MgCr3CuO8,-7.5628741477,-1.8527096231,0.9778708596,0.9778708596,GGA+U,Cm,A3BCD8_mC26_8_3a_a_a_4a2b:Cr-Cu-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_3a_a_a_4a4b:Cr-Cu-Mg-O, expected MgCr3CuO12 to be MgCr3CuO8" +mp-1041448,CaCu2(MoO4)2,-7.4048019954,-1.9072002162,0.0684757292,0.0684757292,GGA+U,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ca-Cu-Mo-O,52.0,"Invalid WP multiplicities - AB2C2D8_mP52_14_e_6e_5e_26e:Ca-Cu-Mo-O, expected CaCu6Mo5O26 to be CaCu2(MoO4)2" +mp-1042213,CaCuMo2O7,-7.6903989865,-2.015587373,0.1477694553,0.1477694553,GGA+U,P2/c,ABC2D7_mP66_13_eg_eg_3g_f10g:Ca-Cu-Mo-O,66.0,"Invalid WP multiplicities - ABC2D7_mP66_13_2e3g_2e3g_9g_2f38g:Ca-Cu-Mo-O, expected Ca4Cu4(Mo3O13)3 to be CaCuMo2O7" +mp-1043274,CaCu3(MoO3)4,-7.686090376,-1.8337861328,0.0595205685,0.0595205685,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Mo-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Mo-O +mp-1232340,Ba2CaCu2MoO8,-6.8811051836,-2.2767392621,0.0663189757,0.0663189757,GGA+U,P4/mmm,A2BC2DE8_tP14_123_h_c_g_b_egi:Ba-Ca-Cu-Mo-O,14.0,A2BC2DE8_tP14_123_h_c_g_b_egi:Ba-Ca-Cu-Mo-O +mp-1639336,CaLaFeSbO6,-7.6417687445,-2.7196925742,0.0,-0.0061710872,GGA+U,P1,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Fe-La-O-Sb,20.0,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Fe-La-O-Sb +mp-1043864,CaLaFeSbO6,-7.640792977,-2.7187168067,0.0009757675,-0.0051953197,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_aP20_1_2a_4a_2a_12a_2a:Ca-Fe-La-O-Sb, expected CaLaFe2SbO6 to be CaLaFeSbO6" +mp-1047879,Ti2Be3Zn(SiO4)3,-7.7901489575,-2.8422830116,0.2333997724,0.2333997724,GGA,P2_1/c,A3B12C3D2E_mP84_14_3e_12e_3e_2e_e:Be-O-Si-Ti-Zn,84.0,"Invalid WP multiplicities - A3B12C3D2E_mP84_14_4e_17e_3e_2e_e:Be-O-Si-Ti-Zn, expected Ti2Be4ZnSi3O17 to be Ti2Be3Zn(SiO4)3" +mp-1097371,Ti2BeZn,-2.2927020975,2.9048330296,3.0844941931,3.0844941931,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Be-Ti-Zn +mp-550433,BeZnO2,-6.1220845363,-2.3989510619,0.0485625425,0.0485625425,GGA,I-42d,AB2C_tI16_122_a_d_b:Be-O-Zn,8.0,AB2C_tI16_122_a_d_b:Be-O-Zn +mp-1227367,BeZn3O4,-5.4908233225,-2.077648505,0.0418759269,0.0418759269,GGA,I-42m,AB4C3_tI16_121_a_i_bd:Be-O-Zn,8.0,AB4C3_tI16_121_a_i_bd:Be-O-Zn +mp-984552,BeZnO3,-5.16099608,-1.1931515583,0.7648593253,0.7648593253,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Zn,5.0,AB3C_cP5_221_b_c_a:Be-O-Zn +mp-1227338,Be3ZnO4,-6.7222777325,-2.6891856012,0.0863171756,0.0863171756,GGA,I-42m,A3B4C_tI16_121_ad_i_b:Be-O-Zn,8.0,A3B4C_tI16_121_ad_i_b:Be-O-Zn +mp-1185234,LiCe2Al,-4.418081765,-0.0379125133,0.1361551954,0.1361551954,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Ce-Li,4.0,AB2C_cF16_225_a_c_b:Al-Ce-Li +mp-1053454,Li2CeAl,-3.27120978,0.1029178996,0.2769856083,0.2769856083,GGA,C2/m,ABC2_mC8_12_a_b_h:Al-Ce-Li,4.0,ABC2_mC8_12_a_b_h:Al-Ce-Li +mp-865629,Li2CeAl,-3.452285705,-0.0781580254,0.0959096833,0.0959096833,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Al-Ce-Li,4.0,ABC2_cF16_225_a_b_c:Al-Ce-Li +mp-1519324,SrEuTiNbO6,-9.327353582,-3.3650111243,0.0123300158,0.0123300158,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-Ti +mp-1521598,PrEuZrFeO6,-9.225403199,-3.0518270328,0.1521401632,0.1521401632,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Pr-Zr +mp-1225111,FeCu2SbO6,-6.4611363482,-1.4133795425,0.0651426948,0.0651426948,GGA+U,Ibca,A2BC6D_oI80_73_cd_e_3f_a:Cu-Fe-O-Sb,40.0,"Invalid WP multiplicities - A2BC6D_oI80_73_2c2d_e_6f_a:Cu-Fe-O-Sb, expected FeCu4SbO12 to be FeCu2SbO6" +mp-754057,Li4Fe2Cu3Sb3O16,-6.2860418721,-1.7000641223,0.0821583897,0.0821583897,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cu-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Cu-Fe-Li-O-Sb, expected Li4Fe2Cu3Sb3O20 to be Li4Fe2Cu3Sb3O16" +mp-764385,Li4Fe3Cu3(SbO8)2,-6.4137197829,-1.6727056055,0.030614274,0.030614274,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-Sb, expected Li4Fe3Cu3(SbO10)2 to be Li4Fe3Cu3(SbO8)2" +mp-765704,Li4Fe3Cu2Sb3O16,-6.49539405,-1.7533157808,0.1031829502,0.1031829502,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cu-Fe-Li-O-Sb,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Cu-Fe-Li-O-Sb +mp-1522279,BaCaLaBiO6,-7.0088036255,-2.7706832933000003,0.0140851035,0.0107593702,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-La-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-La-O, expected BaCaLaBiO12 to be BaCaLaBiO6" +mp-1522312,BaCaLaBiO6,-7.0018616665,-2.7637413342,0.0210270625,0.0177013292,GGA,P222,ABCDE6_oP40_16_abcf_u_degh_u_6u:Ba-Bi-Ca-La-O,40.0,ABCDE6_oP40_16_abcf_u_degh_u_6u:Ba-Bi-Ca-La-O +mp-1519241,BaCaLaBiO6,-7.022888729,-2.7847683968,0.0,-0.0033257333,GGA,Pnnn,ABCDE6_oP40_48_ab_e_f_cd_3m:Ba-Bi-Ca-La-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_f_2c2d_6m:Ba-Bi-Ca-La-O, expected BaCaLa2BiO12 to be BaCaLaBiO6" +mp-39886,BaCaLaBiO6,-6.8638181330000005,-2.6256978007000003,0.159070596,0.1557448627,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ca-La-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ca-La-O +mp-1522285,BaCaLaBiO6,-6.866335193,-2.6282148608,0.156553536,0.1532278027,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-La-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-La-O +mp-1364177,Al2Cr3(SiO4)3,-8.4563260386,-2.8520004039,0.0704970885,0.0704970885,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Cr-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Cr-O-Si +mp-1044864,Al4Cr13Si2(SbO14)2,-8.4904164896,-2.4069911246,0.146775401,0.146775401,GGA+U,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Cr-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Cr-O-Sb-Si, expected Al4Cr37Si2(SbO46)2 to be Al4Cr13Si2(SbO14)2" +mp-1044615,Cr13Si2(SbO14)2,-8.3162961764,-2.0250619639,0.3959496775,0.3959496775,GGA+U,C2/m,A13B28C2D2_mC90_12_a2g2j_2i6j_g_i:Cr-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_mC90_12_a4g7j_4i21j_g_i:Cr-O-Sb-Si, expected Cr37Si2(SbO46)2 to be Cr13Si2(SbO14)2" +mp-1227616,Ca2Nd2MnNiO8,-7.7301071496,-2.8684531291,0.0346675482,0.0346675482,GGA+U,Cmme,A2BC2DE8_oC56_67_m_e_n_d_ab2gmn:Ca-Mn-Nd-Ni-O,28.0,"Invalid WP multiplicities - A2BC2DE8_oC56_67_m_e_n_d_2a2b4g2m2n:Ca-Mn-Nd-Ni-O, expected Ca2Nd2MnNiO16 to be Ca2Nd2MnNiO8" +mp-770549,Li4Cr3Cu3(TeO8)2,-6.6092232557,-1.8118630752,0.5384902490000001,0.5384902490000001,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Cu-Li-O-Te,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Cu-Li-O-Te, expected Li4Cr3Cu3(TeO10)2 to be Li4Cr3Cu3(TeO8)2" +mp-675546,Cr4Cu3Te8,-5.4769503747,-0.4065332389,0.0207401747,0.0207401747,GGA,Imm2,A4B3C8_oI30_44_cd_2ab_2c2d:Cr-Cu-Te,15.0,"Invalid WP multiplicities - A4B3C8_oI30_44_2cd_2ab_3c3d:Cr-Cu-Te, expected Cr2CuTe4 to be Cr4Cu3Te8" +mp-22625,Cr2CuTe4,-5.597582255,-0.4577929431,0.0,-0.0311849121,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Cu-Te,14.0,A2BC4_cF56_227_c_b_e:Cr-Cu-Te +mp-1222601,Li3Al2CoO6,-6.7836827492000005,-2.6164852223,0.0233844129,0.0233844129,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_di_3i:Al-Co-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_ci_5i:Al-Co-Li-O, expected Li3Al2CoO10 to be Li3Al2CoO6" +mp-1222591,Li3Al2CoO6,-6.780762025,-2.6135644981,0.0263051371,0.0263051371,GGA+U,P-3m1,A2BC3D6_hP12_164_d_a_bd_c2d:Al-Co-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_hP12_164_d_a_bd_2c4d:Al-Co-Li-O, expected Li3Al2CoO12 to be Li3Al2CoO6" +mp-771900,Li3AlCoO4,-6.3169995078,-2.2761753889,0.0816725284,0.0816725284,GGA+U,I4_1/a,ABC3D4_tI144_88_f_f_3f_4f:Al-Co-Li-O,72.0,"Invalid WP multiplicities - ABC3D4_tI144_88_f_f_14f_21f:Al-Co-Li-O, expected Li14AlCoO21 to be Li3AlCoO4" +mp-770726,Li9Al(CoO4)2,-5.808931805,-2.0731304595,0.0596552594,0.0596552594,GGA+U,Pnma,AB2C9D8_oP80_62_c_2c_3c3d_4c2d:Al-Co-Li-O,80.0,"Invalid WP multiplicities - AB2C9D8_oP80_62_c_5c_12c9d_16c5d:Al-Co-Li-O, expected Li30AlCo5O26 to be Li9Al(CoO4)2" +mp-1222628,Li5Al(Co2O5)2,-6.464759763,-1.9052423402,0.1135180046,0.1135180046,GGA+U,R-3m,AB4C5D10_hR60_166_a_2c_b2c_5c:Al-Co-Li-O,20.0,"Invalid WP multiplicities - AB4C5D10_hR60_166_a_3c_b2c_9c:Al-Co-Li-O, expected Li5Al(CoO3)6 to be Li5Al(Co2O5)2" +mp-1291925,Li2AlCoO4,-6.6784904472,-2.3711786718,0.0468662169,0.0468662169,GGA+U,P1,ABC2D4_aP32_1_4a_4a_8a_16a:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_aP32_2_be2i_4i_8i_16i:Al-Co-Li-O, expected Li8Al3(CoO4)4 to be Li2AlCoO4" +mp-1276282,Li2AlCoO4,-6.6646256078,-2.3573138324,0.0607310562,0.0607310562,GGA+U,P-1,ABC2D4_aP32_2_bci_dhi_4i_8i:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_aP32_2_bc2i_dh2i_8i_16i:Al-Co-Li-O, expected Li8Al3Co3O16 to be Li2AlCoO4" +mp-756579,Li2AlCoO4,-6.6529109656,-2.3455991902,0.0724456984,0.0724456984,GGA+U,Pc,ABC2D4_mP16_7_a_a_2a_4a:Al-Co-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_7_a_a_4a_8a:Al-Co-Li-O, expected Li4AlCoO8 to be Li2AlCoO4" +mp-1222767,Li2AlCoO4,-6.698279495,-2.3909677196,0.0270771691,0.0270771691,GGA+U,C2/m,ABC2D4_mC16_12_a_d_i_2i:Al-Co-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_mC16_12_a_c_i_4i:Al-Co-Li-O, expected Li2AlCoO8 to be Li2AlCoO4" +mp-771906,Li2AlCoO4,-6.6428764047,-2.3355646293,0.0824802594,0.0824802594,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_5e_13e:Al-Co-Li-O, expected Li5AlCoO13 to be Li2AlCoO4" +mp-849801,Li2AlCoO4,-6.5985276991,-2.2912159236000003,0.126828965,0.126828965,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:Al-Co-Li-O, expected Li3AlCoO11 to be Li2AlCoO4" +mp-770610,Li2AlCoO4,-6.6420365056,-2.3347247302,0.0833201584,0.0833201584,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_5e_13e:Al-Co-Li-O, expected Li5AlCoO13 to be Li2AlCoO4" +mp-756520,Li2AlCoO4,-6.6491657969,-2.3418540215,0.0761908672,0.0761908672,GGA+U,C222_1,ABC2D4_oC32_20_a_b_ab_2c:Al-Co-Li-O,16.0,ABC2D4_oC32_20_a_b_ab_2c:Al-Co-Li-O +mp-754121,Li2AlCoO4,-6.6484575388,-2.3411457633,0.0768991253,0.0768991253,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Al-Co-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oP16_31_a_a_b_4a2b:Al-Co-Li-O, expected Li2AlCoO8 to be Li2AlCoO4" +mp-770553,Li2AlCoO4,-6.6485746653,-2.3412628899,0.0767819987,0.0767819987,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:Al-Co-Li-O, expected Li5AlCoO13 to be Li2AlCoO4" +mp-770550,Li2AlCoO4,-6.6389598634,-2.331648088,0.0863968006,0.0863968006,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_7c3d:Al-Co-Li-O, expected Li2AlCoO13 to be Li2AlCoO4" +mp-1178049,Li2AlCoO4,-6.6477763972,-2.3404646218,0.0775802669,0.0775802669,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:Al-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_6c3d:Al-Co-Li-O, expected Li2AlCoO12 to be Li2AlCoO4" +mp-1222590,Li3Al(CoO3)2,-6.5980177725,-2.1505917485,0.0456283935,0.0456283935,GGA+U,P-3m1,AB2C3D6_hP12_164_a_d_bd_c2d:Al-Co-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_hP12_164_a_d_bd_c4d:Al-Co-Li-O, expected Li3Al(CoO5)2 to be Li3Al(CoO3)2" +mp-1097153,LiAl2Co,-2.213654795,1.9134432854,2.3180182317,2.3180182317,GGA,Immm,A2BC_oI8_71_e_a_b:Al-Co-Li,4.0,A2BC_oI8_71_e_a_b:Al-Co-Li +mp-755925,LiAlCoO3,-7.0270551833,-2.4265747458,0.0574435917,0.0574435917,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:Al-Co-Li-O,24.0,ABCD3_aP12_2_i_i_i_3i:Al-Co-Li-O +mp-1517146,NaNdZrTiO6,-8.55972142,-3.338321656,0.1517792882,0.1517792882,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Na-Nd-O-Ti-Zr,,ABC6DE_cF40_216_c_d_f_a_b:Na-Nd-O-Ti-Zr +mp-765948,Li4Nb3Cr2Fe3O16,-8.1660346332,-2.3873637569,0.0997767807,0.0997767807,GGA+U,P1,A2B3C4D3E16_aP28_1_2a_3a_4a_3a_16a:Cr-Fe-Li-Nb-O,28.0,A2B3C4D3E16_aP28_1_2a_3a_4a_3a_16a:Cr-Fe-Li-Nb-O +mp-761100,Li4Nb3Cr2Fe3O16,-8.1531668679,-2.3744959915,0.112644546,0.112644546,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Cr-Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Cr-Fe-Li-Nb-O, expected Li4Nb3Cr2Fe3O20 to be Li4Nb3Cr2Fe3O16" +mp-1220546,NbCrFe,-9.4710591208,-0.0629345475,0.0191961325,0.0191961325,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Fe-Nb,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Fe-Nb, expected Nb3(CrFe)2 to be NbCrFe" +mp-755224,Li4Nb2Cr3Fe3O16,-8.1379398371,-2.3752781598,0.0177276479,0.0177276479,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Cr-Fe-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Cr-Fe-Li-Nb-O, expected Li4Nb2Cr3Fe3O20 to be Li4Nb2Cr3Fe3O16" +mp-1045850,Ba2CaMn2CuF14,-6.0551411915,-3.3037665635,0.0,-0.0011713252,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Mn,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-Mn, expected Ba2CaMn2CuF48 to be Ba2CaMn2CuF14" +mp-1208528,Sr2YbGaCu2O7,-6.2655789404,-2.3600462075,0.0131759762,0.0131759762,GGA,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Yb,,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Yb +mp-1215535,YbGa3Cu,-3.354542196,-0.4099215925,0.0027958265,0.0027958265,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Cu-Ga-Yb,,AB3C_tI10_119_a_bf_c:Cu-Ga-Yb +mp-1207556,YbGa2Cu3,-3.632028585,-0.3164585292,0.0060432871,0.0060432871,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Cu-Ga-Yb,,A3B2C_hP6_191_g_c_a:Cu-Ga-Yb +mp-1215637,YbGaCu4,-3.7749541667,-0.2808656696,0.0,-0.0077719448,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Cu-Ga-Yb,,A4BC_hP6_187_ak_c_e:Cu-Ga-Yb +mp-1103929,Yb(Ga2Cu)4,-3.4730376869,-0.2298682146,0.0,-0.0138293002,GGA,I4/mmm,A4B8C_tI26_139_f_ij_a:Cu-Ga-Yb,,A4B8C_tI26_139_f_ij_a:Cu-Ga-Yb +mp-1200769,Yb(Ga2Cu)4,-3.4039796518,-0.1608101795,0.0690580351,0.0552287349,GGA,I4/mmm,A4B8C_tI78_139_jm_fi2n_ae:Cu-Ga-Yb,,A4B8C_tI78_139_jm_fi2n_ae:Cu-Ga-Yb +mp-1215588,YbGaCuO4,-6.2144810686,-2.1496716661,0.0986702573,0.0986702573,GGA,R3m,ABC4D_hR21_160_a_a_4a_a:Cu-Ga-O-Yb,,ABC4D_hR21_160_a_a_4a_a:Cu-Ga-O-Yb +mp-1227282,Be4SiNi,-4.4764367683,-0.1159190733,0.0732047275,0.0732047275,GGA,F-43m,A4BC_cF24_216_e_a_c:Be-Ni-Si,6.0,A4BC_cF24_216_e_a_c:Be-Ni-Si +mp-1207610,Yb2Be2SiO7,-7.2886550838,-3.0711399755,0.0,-0.0015642053,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Yb,,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Yb +mp-1227312,BeSiNi2,-5.6030970825,-0.4218460187,0.086389875,0.0443928744,GGA,P4/mmm,AB2C_tP4_123_a_h_b:Be-Ni-Si,4.0,AB2C_tP4_123_a_h_b:Be-Ni-Si +mp-865792,BeSiNi2,-5.6894869575,-0.5082358937,0.0,-0.0419970006,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Be-Ni-Si,4.0,AB2C_cF16_225_a_c_b:Be-Ni-Si +mp-972406,YbSi2Ni,-5.2047096787000005,-0.6621144237000001,0.0,-0.0908030038,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Ni-Si-Yb,,AB2C_oC16_63_c_2c_c:Ni-Si-Yb +mp-1191851,Yb3(SiNi3)2,-5.1463330055,-0.5872165527000001,0.0,-0.0309092927,GGA,Im-3m,A6B2C3_cI44_229_h_c_e:Ni-Si-Yb,,A6B2C3_cI44_229_h_c_e:Ni-Si-Yb +mp-5916,Yb(SiNi)2,-5.4797322600000005,-0.68962872,0.0,-0.0479267979,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-Si-Yb,,A2B2C_tI10_139_d_e_a:Ni-Si-Yb +mp-1048097,Be3Si3(NiO6)2,-7.439162181,-2.518425652,0.1349788782,0.1349788782,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Ni-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Ni-O-Si, expected Be4Si3Ni2O17 to be Be3Si3(NiO6)2" +mp-1201820,YbSi3Ni5,-5.821827535,-0.6311335606,0.0,-0.0390693076,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Ni-Si-Yb,,A5B3C_oP36_62_5c_3c_c:Ni-Si-Yb +mp-18715,Yb2Be2Si2NiO10,-7.4354393397,-2.9262803901,0.0,-0.0263841405,GGA+U,P2_1/c,A2BC10D2E2_mP34_14_e_a_5e_e_e:Be-Ni-O-Si-Yb,,"Invalid WP multiplicities - A2BC10D2E2_mP34_14_e_a_6e_e_e:Be-Ni-O-Si-Yb, expected Yb2Be2Si2NiO12 to be Yb2Be2Si2NiO10" +mp-1517762,NaTbEuSbO6,-7.65380159,-2.6514989199,0.1927596672,0.1927596672,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Tb +mp-1522875,CaEuInSbO6,-7.334262844,-2.4519209523,0.1338161965,0.1338161965,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-In-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-In-O-Sb +mp-1521713,NaLaTbCoO6,-7.157633227,-2.3894983709,0.2209144794,0.2209144794,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Co-La-Na-O-Tb,,ABCD6E_cF40_216_a_c_d_f_b:Co-La-Na-O-Tb +mp-1522114,SrCaZrCrO6,-8.197683498,-3.0400861279,0.1336062453,0.1336062453,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Cr-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Cr-O-Sr-Zr +mp-1520929,NdEuHfFeO6,-9.45357313,-3.140323956,0.144208333,0.144208333,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Hf-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Hf-Nd-O +mp-1521789,BaSrLaNbO6,-8.2081376708,-3.3755463902,0.0470079169,0.0470079169,GGA,P222,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-La-Nb-O-Sr,40.0,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-La-Nb-O-Sr +mp-1521771,BaSrLaNbO6,-8.151442406,-3.3188511254,0.1037031816,0.1037031816,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-La-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-La-Nb-O-Sr +mp-1661592,Li4Mn3Co3(SbO8)2,-7.0205480259,-1.882986862,0.0508816996,0.0508816996,GGA+U,P1,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sb,56.0,A3B4C3D16E2_aP56_1_6a_8a_6a_32a_4a:Co-Li-Mn-O-Sb +mp-758093,Li4Mn3Co3(SbO8)2,-7.0315012821,-1.8939401183,0.0399284434,0.0399284434,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Mn-O-Sb,28.0,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Mn-O-Sb +mp-863857,Mn3Co3(SbO8)2,-7.2352221571,-1.5595546104,0.0689876005,0.0689876005,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Mn-O-Sb,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Mn-O-Sb +mp-754687,Li4Mn3Co2Sb3O16,-6.9689800104,-1.9378230092,0.0677145952,0.0677145952,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Co-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Co-Li-Mn-O-Sb, expected Li4Mn3Co2Sb3O20 to be Li4Mn3Co2Sb3O16" +mp-770842,Li4Mn2Co3Sb3O16,-6.7922690414,-1.8344583794,0.1113903338,0.1113903338,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Sb,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Sb +mp-9454,Sr3MgIrO6,-6.7508363264,-2.6428975211,0.0,-0.0108802564,GGA,R-3c,ABC6D3_hR66_167_b_a_f_e:Ir-Mg-O-Sr,22.0,ABC6D3_hR66_167_b_a_f_e:Ir-Mg-O-Sr +mp-1078518,Sr2NiIrO6,-6.851615129,-2.0838461256,0.0,-0.1605942905,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Ir-Ni-O-Sr,10.0,ABC6D2_tI20_87_a_b_eh_d:Ir-Ni-O-Sr +mp-1095155,Sr2NiIrO6,-6.8454719183,-2.0777029148,0.0061432107,-0.1544510797,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ir-Ni-O-Sr,40.0,ABC6D2_cF40_225_a_b_e_c:Ir-Ni-O-Sr +mp-2240423,Sr2MgNiIrO6,-6.5598397818,-2.0800243196,0.2113043956,0.2113043956,GGA+U,P1,ABCD6E2_aP11_1_a_a_a_6a_2a:Ir-Mg-Ni-O-Sr,11.0,ABCD6E2_aP11_1_a_a_a_6a_2a:Ir-Mg-Ni-O-Sr +mp-2223894,Sr2MgNiIrO6,-6.5465041836,-2.0666887214,0.2246399938,0.2246399938,GGA+U,P-1,ABCD6E2_aP11_2_d_a_c_3i_i:Ir-Mg-Ni-O-Sr,11.0,ABCD6E2_aP11_2_d_a_c_3i_i:Ir-Mg-Ni-O-Sr +mp-18982,Sr3NiIrO6,-6.7806167023,-2.2926909307,0.0038915557,0.0038915557,GGA+U,R-3c,ABC6D3_hR66_167_b_a_f_e:Ir-Ni-O-Sr,22.0,ABC6D3_hR66_167_b_a_f_e:Ir-Ni-O-Sr +mp-631346,SrNiIr2,-5.565648085,0.7209765383000001,0.9290595887,0.9290595887,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Ni-Sr,4.0,A2BC_cF16_225_c_a_b:Ir-Ni-Sr +mp-1345538,Mg2NiIrO6,-6.623464287,-1.8735379642,0.0,-0.009081861,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Ir-Mg-Ni-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_14_a_e_b_10e:Ir-Mg-Ni-O, expected Mg2NiIrO20 to be Mg2NiIrO6" +mp-16307,Sr2MgIrO6,-6.827526536,-2.4777431956,0.0,-0.187235528,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ir-Mg-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Ir-Mg-O-Sr +mp-1227224,CaLaNbCoO6,-8.4398526945,-3.0567164858,0.0092932975,0.0092932975,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Co-La-Nb-O,40.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Co-La-Nb-O +mp-754093,Gd2CdO4,-10.0738411064,-3.0935712371,0.0795103714,0.0795103714,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-Gd-O,14.0,AB2C4_cF56_227_a_d_e:Cd-Gd-O +mp-1184471,GdCdO3,-7.78714926,-1.8193336332,0.6748930346,0.6748930346,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-Gd-O,5.0,ABC3_cP5_221_b_a_c:Cd-Gd-O +mp-1224537,GdTiCdSbO7,-8.3912643773,-2.786689265,0.0010300736,-0.0206220098,GGA,Imma,ABC7DE_oI44_74_a_c_3ej_d_b:Cd-Gd-O-Sb-Ti,22.0,"Invalid WP multiplicities - ABC7DE_oI44_74_a_c_5e2j_d_b:Cd-Gd-O-Sb-Ti, expected GdTiCdSbO13 to be GdTiCdSbO7" +mp-39684,GdTiCdSbO7,-8.3922944509,-2.7877193386,0.0,-0.0216520834,GGA,P4_122,ABC7DE_tP44_91_a_b_3c2d_a_b:Cd-Gd-O-Sb-Ti,44.0,"Invalid WP multiplicities - ABC7DE_tP44_91_a_b_10c11d_a_b:Cd-Gd-O-Sb-Ti, expected GdTiCdSbO32 to be GdTiCdSbO7" +mp-2241191,Ba2LuMgNbO6,-7.3628746627,-2.8410003211,0.4148381229,0.4148381229,GGA,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Lu-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_e2l:Ba-Lu-Mg-Nb-O, expected Ba2LuMgNbO10 to be Ba2LuMgNbO6" +mp-2217600,Ba2LuMgNbO6,-7.3662088209,-2.8443344793,0.4115039647,0.4115039647,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Lu-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_5b:Ba-Lu-Mg-Nb-O, expected Ba2LuMgNbO15 to be Ba2LuMgNbO6" +mp-12644,Ba2LuNbO6,-8.321144276,-3.5071105052,0.0,-0.0577413944,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Lu-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Lu-Nb-O +mp-2240976,Lu2MgNb2O8,-8.5849909062,-3.1681985323,0.2783816484,0.2783816484,GGA,P2,A2BC2D8_mP13_3_ab_a_cd_4e:Lu-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mP13_3_ad_a_bc_6e:Lu-Mg-Nb-O, expected Lu2MgNb2O12 to be Lu2MgNb2O8" +mp-1522961,NaSrNbSbO6,-7.238565752,-2.5463200226,0.1588544581,0.1588544581,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Na-Nb-O-Sb-Sr +mp-1520815,Sr2NbSbO6,-7.5330191063,-2.8040765608,0.1213963806,0.1213963806,GGA,Pn-3,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Sb-Sr,40.0,AB6CD2_cP40_201_b_h_c_ad:Nb-O-Sb-Sr +mp-1520756,Sr2NbSbO6,-7.474119238,-2.7451766926000003,0.1802962489,0.1802962489,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Nb-O-Sb-Sr +mp-1227173,CaLaMnNbO6,-8.7965813753,-3.2080754168,0.0,-0.003097956,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-La-Mn-Nb-O,40.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-La-Mn-Nb-O +mp-677563,ZnCuHg4As7S12,-3.8562310459,-0.3032350868,0.1287111993,0.1287111993,GGA,P1,A7BC4D12E_aP75_1_21a_3a_12a_36a_3a:As-Cu-Hg-S-Zn,75.0,A7BC4D12E_aP75_1_21a_3a_12a_36a_3a:As-Cu-Hg-S-Zn +mp-1335844,ZnCuHg4As7S12,-3.3091113271,0.243884632,0.6758309181000001,0.6758309181000001,GGA,P1,A7BC4D12E_aP75_1_21a_3a_12a_36a_3a:As-Cu-Hg-S-Zn,75.0,A7BC4D12E_aP75_1_21a_3a_12a_36a_3a:As-Cu-Hg-S-Zn +mp-1215617,Zn3Cu6(AsS3)4,-4.4436262224,-0.5776925075,0.0102252159,0.0102252159,GGA,P1,A4B6C12D3_aP25_1_4a_6a_12a_3a:As-Cu-S-Zn,25.0,A4B6C12D3_aP25_1_4a_6a_12a_3a:As-Cu-S-Zn +mp-1221249,Na3DyTi2Nb2O12,-8.3341390835,-3.1377280151,0.0130028554,0.0130028554,GGA,P1,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Dy-Na-Nb-O-Ti,20.0,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Dy-Na-Nb-O-Ti +mp-689927,Na3DyTi2Nb2O12,-8.3394286845,-3.1430176161,0.0077132544,0.0077132544,GGA,Pmc2_1,AB3C2D12E2_oP40_26_a_bc_c_ab5c_c:Dy-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_oP40_26_a_bc_c_2a2b12c_c:Dy-Na-Nb-O-Ti, expected Na3DyTi2Nb2O28 to be Na3DyTi2Nb2O12" +mp-1518521,SrSmFeSnO6,-7.420453885,-2.5636733929,0.1579645805,0.1579645805,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_b_d:Fe-O-Sm-Sn-Sr,10.0,AB6CDE_cF40_216_a_f_c_b_d:Fe-O-Sm-Sn-Sr +mp-1517978,NaEuHfTiO6,-9.201848735,-3.2906146942,0.1012949558,0.1012949558,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Ti +mp-1518511,SrSmTiNbO6,-8.678715179,-3.2702142877,0.1939152214,0.1939152214,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sm-Sr-Ti,10.0,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sm-Sr-Ti +mp-1218221,SrLaInO4,-7.1260006211,-2.959723602,0.0428472804,0.0428472804,GGA,Pca2_1,ABC4D_oP28_29_a_a_4a_a:In-La-O-Sr,28.0,"Invalid WP multiplicities - ABC4D_oP28_29_a_a_14a_a:In-La-O-Sr, expected SrLaInO14 to be SrLaInO4" +mp-775290,Li4Nb2Cr3Cu3O16,-7.4294910504,-2.1351309308,0.5440659241,0.5440659241,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Cr-Cu-Li-Nb-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Cr-Cu-Li-Nb-O, expected Li4Nb2Cr3Cu3O20 to be Li4Nb2Cr3Cu3O16" +mp-695325,Ti5ZnBi2(Pb2O9)2,-7.6350805443,-2.5581083098,0.0181861405,0.0181861405,GGA,Cm,A2B18C4D5E_mC60_8_2a_6a6b_4a_5a_a:Bi-O-Pb-Ti-Zn,30.0,"Invalid WP multiplicities - A2B18C4D5E_mC60_8_2a_6a11b_4a_5a_a:Bi-O-Pb-Ti-Zn, expected Ti5ZnBi2(PbO7)4 to be Ti5ZnBi2(Pb2O9)2" +mp-1220892,NaTi3Nb(CuO4)3,-7.8406265095,-2.5022169631,0.0685020035,0.0685020035,GGA,R-3,A3BCD12E3_hR60_148_d_b_a_2f_e:Cu-Na-Nb-O-Ti,20.0,"Invalid WP multiplicities - A3BCD12E3_hR60_148_d_b_a_6f_e:Cu-Na-Nb-O-Ti, expected NaTi3Nb(CuO12)3 to be NaTi3Nb(CuO4)3" +mp-1336629,ZnFe2CoO7,-6.6080792301,-1.1594497025,0.2542655197,0.2542655197,GGA+U,P2_1/c,AB2C7D_mP88_14_2e_4e_14e_2e:Co-Fe-O-Zn,88.0,"Invalid WP multiplicities - AB2C7D_mP88_14_2e_7e_17e_3e:Co-Fe-O-Zn, expected Zn3Fe7Co2O17 to be ZnFe2CoO7" +mp-1095848,ZnFeCo2,-3.442887845,2.5437122575,2.606808956,2.606808956,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Fe-Zn,4.0,A2BC_oI8_71_e_a_b:Co-Fe-Zn +mp-1216048,Zn3Fe12(CoO12)2,-7.3990943595,-1.5855175300000002,0.09594165,0.09594165,GGA+U,Imm2,A2B12C24D3_oI82_44_c_3cde_6c2d2e_ac:Co-Fe-O-Zn,41.0,"Invalid WP multiplicities - A2B12C24D3_oI82_44_c_6c2d2e_12c4d4e_ac:Co-Fe-O-Zn, expected Zn3Fe24(CoO24)2 to be Zn3Fe12(CoO12)2" +mp-1215658,ZnFe4CoO8,-7.443448915,-1.5990449196,0.0673534884,0.0673534884,GGA+U,R3m,AB4C8D_hR42_160_a_ab_2a2b_a:Co-Fe-O-Zn,14.0,AB4C8D_hR42_160_a_ab_2a2b_a:Co-Fe-O-Zn +mp-1215623,ZnFe4CoO8,-7.503812359999999,-1.6594083646,0.0069900434,0.0069900434,GGA+U,F-43m,AB4C8D_cF56_216_a_e_2e_c:Co-Fe-O-Zn,14.0,AB4C8D_cF56_216_a_e_2e_c:Co-Fe-O-Zn +mp-1215842,ZnFe8Co3O16,-7.6713448107,-1.6180631659,0.0086579779,0.0086579779,GGA+U,P-4m2,A3B8C16D_tP28_115_ag_jk_2j2k_c:Co-Fe-O-Zn,28.0,"Invalid WP multiplicities - A3B8C16D_tP28_115_ag_3j3k_7j7k_c:Co-Fe-O-Zn, expected ZnFe24Co3O56 to be ZnFe8Co3O16" +mp-1215745,Zn3Fe8CoO16,-7.3364900429,-1.7009636970000002,0.0051119753,0.0051119753,GGA+U,P-4m2,AB8C16D3_tP28_115_a_jk_2j2k_cg:Co-Fe-O-Zn,28.0,"Invalid WP multiplicities - AB8C16D3_tP28_115_a_3j3k_7j7k_cg:Co-Fe-O-Zn, expected Zn3Fe24CoO56 to be Zn3Fe8CoO16" +mp-1227209,CaMnFeBiO6,-7.418100428,-2.10227465,0.0141740218,0.0141740218,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Bi-Ca-Fe-Mn-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_11a:Bi-Ca-Fe-Mn-O, expected CaMnFeBiO11 to be CaMnFeBiO6" +mp-774789,Li4Ti2Co3Sb3O16,-7.0574154404,-2.1900707266,0.0752171029,0.0752171029,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sb-Ti,56.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_2a2b_4a_8a4b_ab_2a:Co-Li-O-Sb-Ti, expected Li4Ti2Co6Sb3O16 to be Li4Ti2Co3Sb3O16" +mp-773002,Li4Ti3Co3(SbO8)2,-7.4051104809,-2.4032482394,0.0383683036,0.0383683036,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Sb-Ti,56.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_2a2b_4a_8a4b_2a_ab:Co-Li-O-Sb-Ti, expected Li4Ti3Co6(SbO8)2 to be Li4Ti3Co3(SbO8)2" +mp-1227663,Ca3LaSi8,-4.9323210975,-0.4027085154,0.0030436167,0.0030436167,GGA,P-4m2,A3BC8_tP12_115_ag_c_ef2g:Ca-La-Si,12.0,"Invalid WP multiplicities - A3BC8_tP12_115_ag_c_2e2f4g:Ca-La-Si, expected Ca3LaSi16 to be Ca3LaSi8" +mp-1227076,CaLa3Si8,-5.5561827558,-0.5381689696,0.0084666233,0.0084666233,GGA,P-4m2,AB3C8_tP12_115_a_cg_ef2g:Ca-La-Si,12.0,"Invalid WP multiplicities - AB3C8_tP12_115_a_cg_2e2f4g:Ca-La-Si, expected CaLa3Si16 to be CaLa3Si8" +mp-1214227,Ca2La3Si3O13,-8.2823993498,-3.5489646635,0.0310226659,0.0310226659,GGA,P6_3/m,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-La-O-Si,42.0,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-La-O-Si +mp-1227055,CaLaSi4,-5.2427287417,-0.4689155575,0.007278305,0.007278305,GGA,I-4m2,ABC4_tI12_119_a_c_ef:Ca-La-Si,6.0,"Invalid WP multiplicities - ABC4_tI12_119_a_c_2e2f:Ca-La-Si, expected CaLaSi8 to be CaLaSi4" +mp-1227220,CaLa4Si3O13,-8.5998339348,-3.7268560473,0.0,-0.025274957,GGA,P6_3,AB4C13D3_hP42_173_b_bc_a4c_c:Ca-La-O-Si,42.0,AB4C13D3_hP42_173_b_bc_a4c_c:Ca-La-O-Si +mp-1777783,ZnBiF5,-4.7242732964,-2.6303264996,0.0801327336,0.0801327336,GGA,C2,AB5C_mC28_5_c_ab4c_ab:Bi-F-Zn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Bi-F-Zn, expected ZnBiF7 to be ZnBiF5" +mp-1371936,ZnBiF5,-4.7292856104,-2.6353388136,0.0751204196,0.0751204196,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-F-Zn,28.0,AB5C_mP28_14_e_5e_e:Bi-F-Zn +mp-1048784,ZnBiF5,-4.7241472729,-2.6302004761,0.0802587571,0.0802587571,GGA,C2/c,AB5C_mC28_15_a_e2f_e:Bi-F-Zn,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Bi-F-Zn, expected ZnBiF7 to be ZnBiF5" +mp-1446593,ZnBiF6,-4.55806118,-2.4869228619,0.0,-0.0114338156,GGA,R-3,AB6C_hR24_148_a_f_b:Bi-F-Zn,8.0,AB6C_hR24_148_a_f_b:Bi-F-Zn +mp-1041314,BaZnBiF7,-5.176417614,-3.1364615688,0.0304716865,0.0304716865,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Bi-F-Zn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Bi-F-Zn, expected BaZnBiF23 to be BaZnBiF7" +mp-1359492,Ba2ZnCuBi2F14,-5.1963527252,-3.014423527,0.0340830252,0.0340830252,GGA,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ba-Bi-Cu-F-Zn,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ba-Bi-Cu-F-Zn, expected Ba2ZnCuBi2F48 to be Ba2ZnCuBi2F14" +mp-1517552,SrEuHfSbO6,-8.555382538,-2.9841007589,0.1862638757,0.1862638757,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Hf-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Hf-O-Sb-Sr +mp-1522549,NaSrLaSeO6,-6.492386443,-2.3799794833,0.1568214658,0.1568214658,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:La-Na-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:La-Na-O-Se-Sr +mp-1211313,LaTa2CuBrO7,-8.7047231342,-2.9605049389,0.0485545628,0.0485545628,GGA,P4/mmm,ABCD7E2_tP12_123_c_a_d_bgi_g:Br-Cu-La-O-Ta,12.0,ABCD7E2_tP12_123_c_a_d_bgi_g:Br-Cu-La-O-Ta +mp-1522175,SrHfInSbO6,-7.472939146,-2.6521891739,0.1991384595,0.1991384595,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Hf-In-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Hf-In-O-Sb-Sr +mp-1517581,BaNaSmSeO6,-6.498391742,-2.3847787306,0.1297369267,0.1297369267,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Se-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Se-Sm +mp-1227198,CaLaGaCuO5,-6.9621134933,-2.6507409118,0.0670304456,0.0670304456,GGA,Cm,ABCDE5_mC36_8_b_b_2a_b_2a4b:Ca-Cu-Ga-La-O,18.0,"Invalid WP multiplicities - ABCDE5_mC36_8_b_b_2a_b_2a6b:Ca-Cu-Ga-La-O, expected CaLaGaCuO7 to be CaLaGaCuO5" +mp-1227699,Ca2LaGaCu2O7,-6.7038072635,-2.4883813245,0.0581369391,0.0581369391,GGA,P1,A2B2CDE7_aP26_1_4a_4a_2a_2a_14a:Ca-Cu-Ga-La-O,26.0,A2B2CDE7_aP26_1_4a_4a_2a_2a_14a:Ca-Cu-Ga-La-O +mp-1214174,Ca2LaGaCu2O7,-6.7001156385,-2.4846896995,0.0618285641,0.0618285641,GGA,Ima2,A2B2CDE7_oI52_46_c_c_b_a_b3c:Ca-Cu-Ga-La-O,26.0,A2B2CDE7_oI52_46_c_c_b_a_b3c:Ca-Cu-Ga-La-O +mp-1206667,PrNiBi,-5.4596292767,-0.6591187550000001,0.0,-0.0079124967,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Ni-Pr,3.0,ABC_cF12_216_a_c_b:Bi-Ni-Pr +mp-1080179,Pr(NiBi)2,-5.164785943,-0.360354468,0.0525060024,0.0525060024,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Bi-Ni-Pr,10.0,A2B2C_tP10_129_ac_bc_c:Bi-Ni-Pr +mp-1209761,Pr3Ni3Bi4,-5.306186329,-0.6016779465000001,0.0,-0.0010662488,GGA,I-43d,A4B3C3_cI40_220_c_a_b:Bi-Ni-Pr,20.0,A4B3C3_cI40_220_c_a_b:Bi-Ni-Pr +mp-1095149,LiLaBi2,-4.4051553662,-0.7736783083000001,0.0,-0.0221881038,GGA,P4/nmm,A2BC_tP8_129_ac_c_b:Bi-La-Li,8.0,A2BC_tP8_129_ac_c_b:Bi-La-Li +mp-1018768,Li3LaBi2,-3.807018135,-0.7497258075000001,0.0,-0.031057635,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:Bi-La-Li,6.0,A2BC3_hP6_164_d_a_bd:Bi-La-Li +mp-30456,SrLiBi,-3.3232827767,-0.8436476267,0.0,-0.1056156117,GGA,Pnma,ABC_oP12_62_c_c_c:Bi-Li-Sr,12.0,ABC_oP12_62_c_c_c:Bi-Li-Sr +mp-1218428,Sr3LiBiO6,-6.2141351555,-2.5324965533,0.0,-0.0444818512,GGA,Cc,ABC6D3_mC44_9_a_a_6a_3a:Bi-Li-O-Sr,22.0,"Invalid WP multiplicities - ABC6D3_mC44_9_a_a_12a_6a:Bi-Li-O-Sr, expected Sr6LiBiO12 to be Sr3LiBiO6" +mp-1219998,Pr2(CoCu)5,-5.4748726917,-0.0082532054,0.0968691333,0.0968691333,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Cu-Pr,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_ei2j_hx_bc:Co-Cu-Pr, expected Pr2Co7Cu5 to be Pr2(CoCu)5" +mp-1214590,Ba2PrCoCu2O7,-6.6919240062,-2.1878926409,0.0302664991,0.0302664991,GGA+U,Pmmm,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Pr,13.0,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Pr +mp-1219957,Pr2Co16Cu,-6.7247793526,-0.0198265684,0.0239533324,0.0239533324,GGA,R3m,A16BC2_hR57_160_a3bc_a_2a:Co-Cu-Pr,19.0,A16BC2_hR57_160_a3bc_a_2a:Co-Cu-Pr +mp-1521310,CaDyMnSnO6,-7.6873844785,-2.740973865,0.1295141473,0.1295141473,GGA+U,P-1,ABCD6E_aP20_2_ah_i_be_6i_i:Ca-Dy-Mn-O-Sn,,"Invalid WP multiplicities - ABCD6E_aP20_2_ah_i_be_12i_i:Ca-Dy-Mn-O-Sn, expected CaDyMnSnO12 to be CaDyMnSnO6" +mp-1521389,CaDyMnSnO6,-7.125239163,-2.1788285495,0.6916594628,0.6916594628,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-Dy-Mn-O-Sn,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-Dy-Mn-O-Sn +mp-1519764,CaDyMnSnO6,-7.291876641,-2.3454660275,0.5250219848000001,0.5250219848000001,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Mn-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Mn-O-Sn +mp-1520366,BaSrNbSbO6,-7.563558366,-2.8116676719,0.1247400381,0.1247400381,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Nb-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Nb-O-Sb-Sr, expected BaSrNbSbO12 to be BaSrNbSbO6" +mp-1520345,BaSrNbSbO6,-7.5977249352,-2.8458342412,0.0905734689,0.0905734689,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Sb-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Sb-Sr +mp-1520128,BaSrNbSbO6,-7.525745799,-2.7738551049,0.1625526051,0.1625526051,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Sb-Sr +mp-1207068,BaDyFeCuO5,-7.3520792556,-2.4822533426,0.0,-0.0012570613,GGA+U,P4mm,ABCDE5_tP9_99_b_a_b_a_a2c:Ba-Cu-Dy-Fe-O,9.0,ABCDE5_tP9_99_b_a_b_a_a2c:Ba-Cu-Dy-Fe-O +mp-1523038,SrGdZrTiO6,-9.671106757,-3.4822126962,0.171819732,0.171819732,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Gd-O-Sr-Ti-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Gd-O-Sr-Ti-Zr +mp-1218646,SrGd2(FeO3)3,-9.1414502053,-2.489983541,0.119470825,0.119470825,GGA+U,P-3m1,A3B2C9D_hP15_164_bd_d_ei_a:Fe-Gd-O-Sr,15.0,"Invalid WP multiplicities - A3B2C9D_hP15_164_bd_d_3e4i_a:Fe-Gd-O-Sr, expected SrGd2(FeO11)3 to be SrGd2(FeO3)3" +mp-1218942,Sr2Gd(FeO3)3,-8.2323208807,-2.4066294688,0.0102643145,0.0102643145,GGA+U,C2/c,A3BC9D2_mC60_15_af_e_e4f_f:Fe-Gd-O-Sr,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_c2f_e_2e14f_f:Fe-Gd-O-Sr, expected Sr2Gd(FeO6)5 to be Sr2Gd(FeO3)3" +mp-2217365,La2MgZnBiO6,-6.8106888782,-2.605901672,0.2924991603,0.2924991603,GGA,P1,AB2CD6E_aP11_1_a_2a_a_6a_a:Bi-La-Mg-O-Zn,11.0,AB2CD6E_aP11_1_a_2a_a_6a_a:Bi-La-Mg-O-Zn +mp-1400776,La2ZnBiO6,-7.105428737,-2.6401908152,0.1198894991,0.1198894991,GGA,R-3,AB2C6D_hR30_148_a_c_f_b:Bi-La-O-Zn,10.0,AB2C6D_hR30_148_a_c_f_b:Bi-La-O-Zn +mp-1223052,La2ZnBi4,-4.4442818329,-0.6594654986,0.0,-0.0039510869,GGA,P-4m2,A4B2C_tP7_115_abg_g_c:Bi-La-Zn,7.0,A4B2C_tP7_115_abg_g_c:Bi-La-Zn +mp-2222873,BaPrMgMn2O5,-7.458278195,-2.3225147065,0.3871046402,0.3871046402,GGA+U,Pmm2,ABC2D5E_oP10_25_b_a_2c_2ac2d_b:Ba-Mg-Mn-O-Pr,10.0,ABC2D5E_oP10_25_b_a_2c_2ac2d_b:Ba-Mg-Mn-O-Pr +mp-2240112,BaPrMgMn2O5,-7.503073818,-2.3673103295,0.3423090172,0.3423090172,GGA+U,P4mm,ABC2D5E_tP10_99_a_a_2b_b2c_a:Ba-Mg-Mn-O-Pr,10.0,"Invalid WP multiplicities - ABC2D5E_tP10_99_a_a_2b_b3c_a:Ba-Mg-Mn-O-Pr, expected BaPrMgMn2O7 to be BaPrMgMn2O5" +mp-2240280,BaPrMgMn2O6,-7.8099810282,-2.6914061558,0.1112981827,0.1112981827,GGA+U,Cm,ABC2D6E_mC22_8_a_a_2a_2a2b_a:Ba-Mg-Mn-O-Pr,11.0,"Invalid WP multiplicities - ABC2D6E_mC22_8_a_a_2a_2a3b_a:Ba-Mg-Mn-O-Pr, expected BaPrMgMn2O8 to be BaPrMgMn2O6" +mp-2223877,BaPrMgMn2O6,-7.3744723673,-2.2558974949,0.5468068436,0.5468068436,GGA+U,Pmmm,ABC2D6E_oP11_47_e_a_j_cdil_f:Ba-Mg-Mn-O-Pr,11.0,"Invalid WP multiplicities - ABC2D6E_oP11_47_e_a_j_cd2i2l_f:Ba-Mg-Mn-O-Pr, expected BaPrMgMn2O10 to be BaPrMgMn2O6" +mp-2240233,BaPrMgMn2O6,-7.37994453,-2.2613696576,0.5413346809,0.5413346809,GGA+U,Pmmm,ABC2D6E_oP11_47_f_a_j_cdil_e:Ba-Mg-Mn-O-Pr,11.0,"Invalid WP multiplicities - ABC2D6E_oP11_47_f_a_j_cd2i2l_e:Ba-Mg-Mn-O-Pr, expected BaPrMgMn2O10 to be BaPrMgMn2O6" +mp-2226941,BaPrMgMn2O6,-7.6652260245,-2.5466511521,0.2560531864,0.2560531864,GGA+U,P4mm,ABC2D6E_tP11_99_a_a_2b_2b2c_a:Ba-Mg-Mn-O-Pr,11.0,"Invalid WP multiplicities - ABC2D6E_tP11_99_a_a_2b_2b3c_a:Ba-Mg-Mn-O-Pr, expected BaPrMgMn2O8 to be BaPrMgMn2O6" +mp-1043903,CaLaFeCuO6,-7.232166184,-2.3130694708,0.0456183347,0.0456183347,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cu-Fe-La-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cu-Fe-La-O +mp-1518717,CaEuZrTiO6,-9.350248188,-3.5116555286,0.1065673807,0.1065673807,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Ti-Zr +mp-706245,Ca3La5Mn6(CuO12)2,-8.0041554082,-2.6894586751,0.1496150071,0.1496150071,GGA+U,P1,A3B2C5D6E24_aP40_1_3a_2a_5a_6a_24a:Ca-Cu-La-Mn-O,40.0,A3B2C5D6E24_aP40_1_3a_2a_5a_6a_24a:Ca-Cu-La-Mn-O +mp-1045571,AlNi3Se2ClO8,-6.0726653763,-1.439341698,0.1874274869,0.1874274869,GGA+U,Pmmn,ABC3D8E2_oP30_59_a_b_ac_2eg_e:Al-Cl-Ni-O-Se,30.0,"Invalid WP multiplicities - ABC3D8E2_oP30_59_a_b_a2c_5e3g_e:Al-Cl-Ni-O-Se, expected AlNi5Se2ClO22 to be AlNi3Se2ClO8" +mp-1228472,Ba2NaLaTi4O12,-8.5010640985,-3.4491283545,0.0244722938,0.0244722938,GGA,I4/mmm,A2BCD12E4_tI40_139_e_a_b_cdm_g:Ba-La-Na-O-Ti,20.0,"Invalid WP multiplicities - A2BCD12E4_tI40_139_e_a_b_2c2dm_g:Ba-La-Na-O-Ti, expected Ba2NaLaTi4O16 to be Ba2NaLaTi4O12" +mp-1209081,Sr2CaFe2Bi2O9,-6.8433335309,-2.1854706642,0.1061374427,0.1061374427,GGA+U,Cmme,A2BC2D9E2_oC64_67_m_g_m_gjk2m_m:Bi-Ca-Fe-O-Sr,32.0,A2BC2D9E2_oC64_67_m_g_m_gjk2m_m:Bi-Ca-Fe-O-Sr +mp-1520073,SrCaFeBiO6,-6.729798065,-2.1612244709,0.0894979432,0.0894979432,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Fe-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Fe-O-Sr +mp-1223080,La2Ti3AgO9,-8.7022644267,-3.308181449,0.1678498157,0.1678498157,GGA,P-3m1,AB2C9D3_hP15_164_a_d_ei_bd:Ag-La-O-Ti,15.0,"Invalid WP multiplicities - AB2C9D3_hP15_164_a_d_3e4i_bd:Ag-La-O-Ti, expected La2Ti3AgO33 to be La2Ti3AgO9" +mp-2229472,La2MgTi3(AgO5)2,-7.900405175599999,-2.8842513184,0.3647320313,0.3647320313,GGA,I-4m2,A2B2CD10E3_tI36_119_e_e_c_2e3f_ae:Ag-La-Mg-O-Ti,18.0,"Invalid WP multiplicities - A2B2CD10E3_tI36_119_e_e_c_3e4f_ae:Ag-La-Mg-O-Ti, expected La2MgTi3(AgO7)2 to be La2MgTi3(AgO5)2" +mp-2229350,La2MgTi3(AgO5)2,-7.81581376,-2.7996599028,0.4493234469,0.4493234469,GGA,I4/mmm,A2B2CD10E3_tI36_139_e_e_a_c2eg_be:Ag-La-Mg-O-Ti,18.0,"Invalid WP multiplicities - A2B2CD10E3_tI36_139_e_e_a_c3eg_be:Ag-La-Mg-O-Ti, expected La2MgTi3(AgO6)2 to be La2MgTi3(AgO5)2" +mp-22621,LaTiAgO4,-8.0171732064,-2.9527717821,0.0902244634,0.0902244634,GGA,P4/nmm,ABC4D_tP14_129_c_c_2cf_c:Ag-La-O-Ti,14.0,ABC4D_tP14_129_c_c_2cf_c:Ag-La-O-Ti +mp-6000,La2Ti3(AgO5)2,-8.2825843494,-3.0654967389,0.0585859781,0.0585859781,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:Ag-La-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_c3eg_ae:Ag-La-O-Ti, expected La2Ti3(AgO6)2 to be La2Ti3(AgO5)2" +mp-2232516,La2MgTi2(AgO4)2,-7.7494243907,-2.9159643913,0.2667749966,0.2667749966,GGA,Pmm2,A2B2CD8E2_oP15_25_bc_bc_a_2a2b2c2d_bc:Ag-La-Mg-O-Ti,15.0,A2B2CD8E2_oP15_25_bc_bc_a_2a2b2c2d_bc:Ag-La-Mg-O-Ti +mp-2232221,La2MgTi2(AgO4)2,-7.5796397927,-2.7461797933,0.4365595946,0.4365595946,GGA,P-4m2,A2B2CD8E2_tP15_115_g_g_a_ef2g_g:Ag-La-Mg-O-Ti,15.0,"Invalid WP multiplicities - A2B2CD8E2_tP15_115_g_g_a_2e2f2g_g:Ag-La-Mg-O-Ti, expected La2MgTi2(AgO6)2 to be La2MgTi2(AgO4)2" +mp-2232337,La2MgTi2(AgO4)2,-7.4850133813,-2.651553382,0.5311860059,0.5311860059,GGA,P-4m2,A2B2CD8E2_tP15_115_g_g_a_ef2g_g:Ag-La-Mg-O-Ti,15.0,"Invalid WP multiplicities - A2B2CD8E2_tP15_115_g_g_a_2e2f2g_g:Ag-La-Mg-O-Ti, expected La2MgTi2(AgO6)2 to be La2MgTi2(AgO4)2" +mp-1048587,Ti3AlSe2ClO8,-7.3357008487,-2.279306103,0.525207055,0.525207055,GGA,P1,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-Ti,30.0,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-Ti +mp-570951,Ti(AlCl4)2,-4.663367085,-1.920190998,0.0333206632,0.0333206632,GGA,P2_1/c,A2B8C_mP22_14_e_4e_a:Al-Cl-Ti,22.0,"Invalid WP multiplicities - A2B8C_mP22_14_e_15e_a:Al-Cl-Ti, expected Ti(AlCl15)2 to be Ti(AlCl4)2" +mp-574112,Ti(AlCl4)2,-4.6630032455,-1.9198271585,0.0336845028,0.0336845028,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-Ti,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_11f_e:Al-Cl-Ti, expected Ti(AlCl11)2 to be Ti(AlCl4)2" +mp-1100841,Sr16La3Co11(Cu4O23)2,-6.62822051,-2.0999735292,0.0967426702,0.0967426702,GGA+U,P4mm,A11B8C3D46E16_tP84_99_11a_8a_3b_8a19c_16b:Co-Cu-La-O-Sr,84.0,"Invalid WP multiplicities - A11B8C3D46E16_tP84_99_11a_8a_3b_8a38c_16b:Co-Cu-La-O-Sr, expected Sr16La3Co11(Cu2O21)4 to be Sr16La3Co11(Cu4O23)2" +mp-562801,Rb6In2Co2Si9O26,-7.2375651191,-2.7254545358,0.0068201626,0.0068201626,GGA+U,Aea2,A2B2C26D6E9_oC180_41_b_b_13b_2a2b_a4b:Co-In-O-Rb-Si,90.0,"Invalid WP multiplicities - A2B2C26D6E9_oC180_41_b_b_46b_4a7b_2a12b:Co-In-O-Rb-Si, expected Rb9InCoSi13O46 to be Rb6In2Co2Si9O26" +mp-631694,InCoSi2,-4.5802602625,0.5973991337,0.9144740475,0.9144740475,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Co-In-Si,4.0,ABC2_cF16_225_a_b_c:Co-In-Si +mp-961673,TiFeTe,-7.1538242433,-0.6508845367,0.0,-0.0141855072,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Te-Ti,3.0,ABC_cF12_216_c_a_b:Fe-Te-Ti +mp-685195,SrLaTl(AsO4)2,-6.9675949831,-2.5152957365,0.0,-0.0087814329,GGA,P3_2,A2BC8DE_hP39_145_2a_a_8a_a_a:As-La-O-Sr-Tl,39.0,"Invalid WP multiplicities - A2BC8DE_hP39_145_5a_a_21a_a_a:As-La-O-Sr-Tl, expected SrLaTlAs5O21 to be SrLaTl(AsO4)2" +mp-1208506,ThCl3O8,-5.1793440125,-0.8015958525,0.5558538351,0.5558538351,GGA,P-1,A3B8C_aP24_2_3i_8i_i:Cl-O-Th,24.0,A3B8C_aP24_2_3i_8i_i:Cl-O-Th +mp-758289,Th4Ta18O53,-10.1849994871,-3.4480670599,0.0541607366,0.0541607366,GGA,P3,A53B18C4_hP75_143_5a6b14d_6d_2a2b:O-Ta-Th,75.0,"Invalid WP multiplicities - A53B18C4_hP75_143_5a6b42d_18d_2a2b:O-Ta-Th, expected Th4Ta54O137 to be Th4Ta18O53" +mp-706869,La2ThTa(ClO2)3,-8.5647927996,-3.6133010813,0.0130991404,-0.0058473499,GGA,Pm,A3B2C6DE_mP78_6_3a3b6c_2a2b4c_18c_ab2c_ab2c:Cl-La-O-Ta-Th,78.0,"Invalid WP multiplicities - A3B2C6DE_mP78_6_3a3b8c_2a2b5c_35c_ab3c_ab2c:Cl-La-O-Ta-Th, expected La7Th3Ta4Cl11O35 to be La2ThTa(ClO2)3" +mp-1223220,La2ThTa(ClO2)3,-8.57789194,-3.6264002217,0.0,-0.0189464903,GGA,Pm,A3B2C6DE_mP26_6_3a3b_a3b_6c_ab_2a:Cl-La-O-Ta-Th,26.0,"Invalid WP multiplicities - A3B2C6DE_mP26_6_3a3b_a3b_12c_ab_2a:Cl-La-O-Ta-Th, expected La2ThTa(ClO4)3 to be La2ThTa(ClO2)3" +mp-29368,Th2Ta2O9,-10.1717023387,-3.7822046339,0.031524581,0.031524581,GGA,C222_1,A9B2C2_oC104_20_a3b7c_abc_2ac:O-Ta-Th,52.0,A9B2C2_oC104_20_a3b7c_abc_2ac:O-Ta-Th +mp-9275,Th2Ta6O19,-10.2119798024,-3.5467402545,0.0199447296,0.0199447296,GGA,P6_3/mcm,A19B6C2_hP54_193_gh2k_k_d:O-Ta-Th,54.0,"Invalid WP multiplicities - A19B6C2_hP54_193_gh3k_k_d:O-Ta-Th, expected Th2Ta6O25 to be Th2Ta6O19" +mp-28611,ThTa2O7,-10.2228799175,-3.6472564686,0.0,-0.001128438,GGA,C2/m,A7B2C_mC40_12_7i_2i_i:O-Ta-Th,20.0,A7B2C_mC40_12_7i_2i_i:O-Ta-Th +mp-1194221,La3Ta(ClO2)3,-8.0001126654,-3.2392248813,0.180907879,0.180907879,GGA,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-Ta,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-La-O-Ta +mp-559822,La2TaCl3O4,-8.079093127,-3.3728774605,0.0062208796,0.0062208796,GGA,Pmmn,A3B2C4D_oP60_59_2ab3e_2a2e_ab5e_be:Cl-La-O-Ta,60.0,"Invalid WP multiplicities - A3B2C4D_oP60_59_2a4b7e_4b8e_2a2b17e_2ae:Cl-La-O-Ta, expected La10Ta2Cl10O19 to be La2TaCl3O4" +mp-1211290,La3Ta(Cl3O2)2,-7.3453214425,-3.2350518889,0.0,-0.0044016434,GGA,P6_3/m,A6B3C4D_hP28_176_2h_h_ch_d:Cl-La-O-Ta,28.0,A6B3C4D_hP28_176_2h_h_ch_d:Cl-La-O-Ta +mp-1517067,NaLaGdSbO6,-8.223242822,-2.8088640074,0.1958655182,0.1958655182,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Gd-La-Na-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Gd-La-Na-O-Sb +mp-1522723,NaPrHfGaO6,-7.754267423,-2.8773825862,0.1529022673,0.1529022673,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ga-Hf-Na-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ga-Hf-Na-O-Pr +mp-1516671,BaSmEuSbO6,-8.07719203,-3.0068223918,0.0387226144,0.0387226144,GGA,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Sb-Sm,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Sb-Sm +mp-1516659,BaSmEuSbO6,-8.051431442,-2.9810618038000003,0.0644832024,0.0644832024,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Sm +mp-1519937,SrNdEuNbO6,-8.9872300242,-3.3376220249,0.0754207872,0.0754207872,GGA,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:Eu-Nb-Nd-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_f_6m_2c2d:Eu-Nb-Nd-O-Sr, expected Sr2NdEuNbO12 to be SrNdEuNbO6" +mp-1519972,SrNdEuNbO6,-8.89991274,-3.2503047407,0.1627380715,0.1627380715,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Nb-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Nb-Nd-O-Sr +mp-1521141,NaCaHfNbO6,-8.554760351,-3.2480851999,0.085907174,0.085907174,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Hf-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Hf-Na-Nb-O +mp-1219372,Sm2HfCo16,-7.1100547937,-0.1033471084,0.017009671,0.017009671,GGA,P-3m1,A16BC2_hP38_164_def2ij_d_cd:Co-Hf-Sm,38.0,A16BC2_hP38_164_def2ij_d_cd:Co-Hf-Sm +mp-1227100,CaNdGaO4,-7.3140721521,-3.087129555,0.072550502,0.072550502,GGA,Cmc2_1,ABCD4_oC28_36_a_a_a_2ab:Ca-Ga-Nd-O,14.0,"Invalid WP multiplicities - ABCD4_oC28_36_a_a_a_4ab:Ca-Ga-Nd-O, expected CaNdGaO6 to be CaNdGaO4" +mp-1227170,CaNdGa3O7,-7.0275228675,-2.8204515043,0.0117599468,0.0117599468,GGA,P2_1,AB3CD7_mP24_4_a_3a_a_7a:Ca-Ga-Nd-O,24.0,AB3CD7_mP24_4_a_3a_a_7a:Ca-Ga-Nd-O +mp-1227169,CaNdGa3O7,-7.024225165,-2.8171538018,0.0150576493,0.0150576493,GGA,Cmm2,AB3CD7_oC48_35_d_cde_e_abde2f:Ca-Ga-Nd-O,24.0,"Invalid WP multiplicities - AB3CD7_oC48_35_d_c2d2e_e_ab2d2e7f:Ca-Ga-Nd-O, expected CaNdGa5O19 to be CaNdGa3O7" +mp-1214654,Ba2LaNb(CuO4)2,-7.456412905,-2.6958996868,0.0013631988,0.0013631988,GGA,I4/mcm,A2B2CDE8_tI56_140_g_f_b_c_fhl:Ba-Cu-La-Nb-O,28.0,A2B2CDE8_tI56_140_g_f_b_c_fhl:Ba-Cu-La-Nb-O +mp-1049202,LaZnCrSnO6,-7.424532447,-2.4706822163,0.1657052113,0.1657052113,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Cr-La-O-Sn-Zn,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Cr-La-O-Sn-Zn, expected LaZnCrSnO12 to be LaZnCrSnO6" +mp-1044158,Ti13Al4Si2(SbO14)2,-8.41333362,-2.7961984773,0.3608030476,0.3608030476,GGA,C2/m,A4B28C2D2E13_mC98_12_j_2i6j_g_i_a2g2j:Al-O-Sb-Si-Ti,49.0,"Invalid WP multiplicities - A4B28C2D2E13_mC98_12_j_4i21j_g_i_a4g7j:Al-O-Sb-Si-Ti, expected Ti37Al4Si2(SbO46)2 to be Ti13Al4Si2(SbO14)2" +mp-1364639,Ti3Al2(SiO4)3,-8.3410969656,-3.0004046489,0.2136615296,0.2136615296,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Ti,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Ti +mp-1208204,Ti5SiSb2,-7.3238563706,-0.6787587965,0.0,-0.0555473425,GGA,I4/mcm,A2BC5_tI32_140_h_a_bk:Sb-Si-Ti,16.0,A2BC5_tI32_140_h_a_bk:Sb-Si-Ti +mp-1212655,Gd2MnNiO6,-10.0796389855,-2.8021861135,0.0,-0.0424507046,GGA+U,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:Gd-Mn-Ni-O,20.0,A2BCD6_mP20_14_e_a_b_3e:Gd-Mn-Ni-O +mp-1227535,Ca2Gd2MnNiO8,-9.0951980571,-2.9038333499,0.0424868854,0.0424868854,GGA+U,Cm,A2B2CDE8_mC28_8_2a_2a_a_a_4a2b:Ca-Gd-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2B2CDE8_mC28_8_2a_2a_a_a_4a3b:Ca-Gd-Mn-Ni-O, expected Ca2Gd2MnNiO10 to be Ca2Gd2MnNiO8" +mp-1218210,SrLaMnSnO6,-7.7346736495,-2.7869516522,0.1085047828,0.1085047828,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sn-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_11a_a_a:La-Mn-O-Sn-Sr, expected SrLaMnSnO11 to be SrLaMnSnO6" +mp-1173234,Sr6La14Mn17(SnO20)3,-8.2922955114,-2.8540419274,0.1580492437,0.1580492437,GGA+U,P1,A14B17C60D3E6_aP100_1_14a_17a_60a_3a_6a:La-Mn-O-Sn-Sr,100.0,A14B17C60D3E6_aP100_1_14a_17a_60a_3a_6a:La-Mn-O-Sn-Sr +mp-677095,Na2CaSn2(GeO4)3,-6.6067342829,-2.311777169,0.0,-0.024978432,GGA,I4_1/acd,AB3C2D12E2_tI160_142_b_ae_e_3g_c:Ca-Ge-Na-O-Sn,80.0,"Invalid WP multiplicities - AB3C2D12E2_tI160_142_b_4a5e_e_43g_c:Ca-Ge-Na-O-Sn, expected Na2CaSn2(Ge7O86)2 to be Na2CaSn2(GeO4)3" +mp-1201950,Na3SmMn3(AsO5)3,-7.1741273068,-2.2001315558,0.0,-0.0102117173,GGA+U,P6_3/m,A3B3C3D15E_hP50_176_h_g_h_3hi_c:As-Mn-Na-O-Sm,50.0,A3B3C3D15E_hP50_176_h_g_h_3hi_c:As-Mn-Na-O-Sm +mp-1517136,BaCaNiBiO6,-6.218458478,-1.8959251882,0.1656516238,0.1656516238,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Ni-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Ni-O +mp-1520023,BaCaPrFeO6,-7.193327981,-2.5077645758,0.1861148991,0.1861148991,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Pr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Pr +mp-1210780,Li2Pr2Si3,-4.8153522279,-0.5788363231,0.0,-0.0706590469,GGA,Cmcm,A2B2C3_oC28_63_f_2c_cf:Li-Pr-Si,14.0,A2B2C3_oC28_63_f_2c_cf:Li-Pr-Si +mp-631270,ZnFePb,-3.6991450733,0.78165889,0.8024723439,0.8024723439,GGA,F-43m,ABC_cF12_216_a_c_b:Fe-Pb-Zn,3.0,ABC_cF12_216_a_c_b:Fe-Pb-Zn +mp-1215919,ZnFeAs4(Pb2O9)2,-6.3135873675,-1.5901150988,0.0803440702,0.0803440702,GGA+U,P-1,A4BC18D4E_aP28_2_2i_a_9i_2i_d:As-Fe-O-Pb-Zn,28.0,"Invalid WP multiplicities - A4BC18D4E_aP28_2_2i_a_13i_2i_d:As-Fe-O-Pb-Zn, expected ZnFeAs4(Pb2O13)2 to be ZnFeAs4(Pb2O9)2" +mp-1522656,BaSrTbTiO6,-7.900660963,-3.3188150853,0.0902229483,0.0902229483,GGA,P-1,AB6CDE_aP20_2_i_6i_i_ah_be:Ba-O-Sr-Tb-Ti,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_i_ah_be:Ba-O-Sr-Tb-Ti, expected BaSrTbTiO12 to be BaSrTbTiO6" +mp-1522616,BaSrTbTiO6,-7.905302087,-3.3234562092,0.0855818243,0.0855818243,GGA,P222,AB6CDE_oP40_16_abch_6u_defg_u_u:Ba-O-Sr-Tb-Ti,,AB6CDE_oP40_16_abch_6u_defg_u_u:Ba-O-Sr-Tb-Ti +mp-2230229,MgMn2Te2(MoO6)2,-7.5764553547,-1.9310612929,0.0854208796,0.0854208796,GGA+U,P1,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Mg-Mn-Mo-O-Te,19.0,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Mg-Mn-Mo-O-Te +mp-2230560,MgMn2Te2(MoO6)2,-7.57381081,-1.9284167481,0.0880654243,0.0880654243,GGA+U,P2,AB2C2D12E2_mP19_3_a_ad_bc_6e_bc:Mg-Mn-Mo-O-Te,19.0,"Invalid WP multiplicities - AB2C2D12E2_mP19_3_c_cd_ab_10e_ab:Mg-Mn-Mo-O-Te, expected MgMn2Te2(MoO10)2 to be MgMn2Te2(MoO6)2" +mp-2232008,MgMn2Te2(MoO6)2,-7.5033552647,-1.8579612029,0.1585209696,0.1585209696,GGA+U,Cm,AB2C2D12E2_mC38_8_a_b_2a_6a3b_2a:Mg-Mn-Mo-O-Te,19.0,"Invalid WP multiplicities - AB2C2D12E2_mC38_8_a_b_2a_6a6b_2a:Mg-Mn-Mo-O-Te, expected MgMn2Te2(MoO9)2 to be MgMn2Te2(MoO6)2" +mp-2230885,MgMn2Te2(MoO6)2,-7.4863785,-1.8409844381,0.1754977343,0.1754977343,GGA+U,Cmm2,AB2C2D12E2_oC38_35_a_c_ab_3d3e_ab:Mg-Mn-Mo-O-Te,19.0,"Invalid WP multiplicities - AB2C2D12E2_oC38_35_a_c_ab_6d6e_ab:Mg-Mn-Mo-O-Te, expected MgMn2Te2(MoO12)2 to be MgMn2Te2(MoO6)2" +mp-2230362,MgMn2Te2(MoO6)2,-7.5709096916,-1.9255156297,0.0909665428,0.0909665428,GGA+U,P-4,AB2C2D12E2_tP19_81_b_ac_g_3h_g:Mg-Mn-Mo-O-Te,19.0,AB2C2D12E2_tP19_81_b_ac_g_3h_g:Mg-Mn-Mo-O-Te +mp-1221974,MgMnTe4,-4.4948167667,-0.6055636141,0.0264378671,0.0264378671,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Mg-Mn-Te,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Mg-Mn-Te, expected MgMnTe8 to be MgMnTe4" +mp-1221936,MgMnTe2,-4.9541213875,-0.6918946053,0.0031217534,0.0031217534,GGA,P-4m2,ABC2_tP4_115_a_c_g:Mg-Mn-Te,4.0,ABC2_tP4_115_a_c_g:Mg-Mn-Te +mp-1221976,MgMn3Te4,-5.68685617,-0.4794124826,0.0197914638,0.0197914638,GGA,P-4m2,AB3C4_tP8_115_b_ce_2g:Mg-Mn-Te,8.0,"Invalid WP multiplicities - AB3C4_tP8_115_b_c2e_2g:Mg-Mn-Te, expected MgMn5Te4 to be MgMn3Te4" +mp-1046588,Mg4Mn5(TeO6)3,-7.1850520582,-2.1623350201,0.0380782464,0.0380782464,GGA+U,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Mg-Mn-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Mg-Mn-O-Te, expected Mg12Mn9(TeO14)5 to be Mg4Mn5(TeO6)3" +mp-2218888,MgMn3TeO8,-7.49727287,-1.9739542923,0.1012046775,0.1012046775,GGA+U,Cm,AB3C8D_mC26_8_a_ab_4a2b_a:Mg-Mn-O-Te,13.0,"Invalid WP multiplicities - AB3C8D_mC26_8_a_a2b_4a4b_a:Mg-Mn-O-Te, expected MgMn5TeO12 to be MgMn3TeO8" +mp-2218964,MgMn3TeO8,-7.5095532877,-1.98623471,0.0889242598,0.0889242598,GGA+U,C2/m,AB3C8D_mC26_12_b_ce_2ij_a:Mg-Mn-O-Te,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_a_c2e_4i3j_b:Mg-Mn-O-Te, expected MgMn5TeO20 to be MgMn3TeO8" +mp-2218947,MgMn3TeO8,-7.3889583538,-1.8656397762,0.2095191937,0.2095191937,GGA+U,C2/m,AB3C8D_mC26_12_b_ae_2ij_c:Mg-Mn-O-Te,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_a_bf_4ij_c:Mg-Mn-O-Te, expected MgMn3TeO12 to be MgMn3TeO8" +mp-2233893,MgMn3TeO8,-7.4999005392,-1.9765819616,0.0985770083,0.0985770083,GGA+U,C2/m,AB3C8D_mC26_12_c_bf_2ij_a:Mg-Mn-O-Te,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_c_a2e_4i3j_b:Mg-Mn-O-Te, expected MgMn5TeO20 to be MgMn3TeO8" +mp-2233438,MgMn3TeO8,-7.3767166523,-1.8533980747,0.2217608952,0.2217608952,GGA+U,C2/m,AB3C8D_mC26_12_c_af_2ij_b:Mg-Mn-O-Te,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_c_b2f_4i3j_a:Mg-Mn-O-Te, expected MgMn5TeO20 to be MgMn3TeO8" +mp-2222262,MnTeMoO6,-7.7322592672,-1.8621366491,0.014818769,0.014818769,GGA+U,P2,ABC6D_mP18_3_ad_bc_6e_bc:Mn-Mo-O-Te,18.0,"Invalid WP multiplicities - ABC6D_mP18_3_cd_ab_10e_ab:Mn-Mo-O-Te, expected MnTeMoO10 to be MnTeMoO6" +mp-19090,MnTeMoO6,-7.7388172422,-1.8686946241,0.008260794,0.008260794,GGA+U,P2_12_12,ABC6D_oP18_18_b_a_3c_a:Mn-Mo-O-Te,18.0,ABC6D_oP18_18_b_a_3c_a:Mn-Mo-O-Te +mp-1105362,MnTeMoO6,-7.7330492122,-1.8629265941,0.014028824,0.014028824,GGA+U,P-42_1m,ABC6D_tP18_113_a_c_3e_c:Mn-Mo-O-Te,18.0,ABC6D_tP18_113_a_c_3e_c:Mn-Mo-O-Te +mp-1222145,Mg3MnTe4,-4.2052929038,-0.8882830268,0.0025457442,0.0025457442,GGA,P-4m2,A3BC4_tP8_115_be_c_2g:Mg-Mn-Te,8.0,"Invalid WP multiplicities - A3BC4_tP8_115_b2e_c_3g:Mg-Mn-Te, expected Mg5MnTe6 to be Mg3MnTe4" +mp-1220872,NaSr2Ta3O9,-8.8898430147,-3.2368401152,0.0178394107,0.0178394107,GGA,P-3m1,AB9C2D3_hP15_164_a_ei_d_bd:Na-O-Sr-Ta,15.0,"Invalid WP multiplicities - AB9C2D3_hP15_164_a_3e4i_d_bd:Na-O-Sr-Ta, expected NaSr2Ta3O33 to be NaSr2Ta3O9" +mp-1221219,Na3SrTa4O12,-8.768815037,-3.1463928176,0.0,-0.0018815753,GGA,Pm,A3B12CD4_mP20_6_a2b_2a2b4c_a_2c:Na-O-Sr-Ta,20.0,"Invalid WP multiplicities - A3B12CD4_mP20_6_a2b_2a2b8c_a_4c:Na-O-Sr-Ta, expected Na3SrTa8O20 to be Na3SrTa4O12" +mp-1208814,Sr3Ta2Ti6O21,-8.9771523489,-3.3509820159,0.0545527905,0.0545527905,GGA,P6_3/mcm,A21B3C2D6_hP64_193_gkl_g_d_k:O-Sr-Ta-Ti,64.0,A21B3C2D6_hP64_193_gkl_g_d_k:O-Sr-Ta-Ti +mp-13042,NaSr3TaO6,-7.5244335068,-3.1672593658,0.0,-0.0483297075,GGA,R-3c,AB6C3D_hR66_167_a_f_e_b:Na-O-Sr-Ta,22.0,AB6C3D_hR66_167_a_f_e_b:Na-O-Sr-Ta +mp-1218665,Sr3Ta4Ti4O21,-9.3481597263,-3.4743465424,0.0294579866,0.0294579866,GGA,C2/c,A21B3C4D4_mC128_15_e10f_ef_2f_2f:O-Sr-Ta-Ti,64.0,"Invalid WP multiplicities - A21B3C4D4_mC128_15_2e37f_2e2f_2f_8f:O-Sr-Ta-Ti, expected Sr3Ta2Ti8O38 to be Sr3Ta4Ti4O21" +mp-1221175,Na4SrTa5O15,-8.7501359262,-3.1313833884,0.0,-0.0003841839,GGA,P-1,A4B15CD5_aP50_2_df3i_cg14i_i_ab4i:Na-O-Sr-Ta,50.0,"Invalid WP multiplicities - A4B15CD5_aP50_2_df4i_cg26i_i_ab5i:Na-O-Sr-Ta, expected Na5SrTa6O27 to be Na4SrTa5O15" +mp-1218658,Sr3Ta4TiO15,-9.3218248137,-3.4698503109,0.0344700663,0.0344700663,GGA,Pc,A15B3C4D_mP46_7_15a_3a_4a_a:O-Sr-Ta-Ti,46.0,"Invalid WP multiplicities - A15B3C4D_mP46_7_29a_5a_6a_a:O-Sr-Ta-Ti, expected Sr5Ta6TiO29 to be Sr3Ta4TiO15" +mp-40519,Na3Sr7Ta3Ti7O30,-8.5003456178,-3.3996162498,0.0083199925,0.0083199925,GGA,Pm,A3B30C7D3E7_mP50_6_3a_10a20b_7a_3b_7b:Na-O-Sr-Ta-Ti,50.0,A3B30C7D3E7_mP50_6_3a_10a20b_7a_3b_7b:Na-O-Sr-Ta-Ti +mp-2226713,Na2La2MgTi2O8,-7.6134617927,-2.9813392213,0.2275409266,0.2275409266,GGA,P-4m2,A2BC2D8E2_tP15_115_g_a_g_ef2g_g:La-Mg-Na-O-Ti,15.0,"Invalid WP multiplicities - A2BC2D8E2_tP15_115_g_a_g_2e2f2g_g:La-Mg-Na-O-Ti, expected Na2La2MgTi2O12 to be Na2La2MgTi2O8" +mp-2226814,Na2La2MgTi2O8,-7.519931058,-2.8878084867,0.3210716613,0.3210716613,GGA,P-4m2,A2BC2D8E2_tP15_115_g_a_g_ef2g_g:La-Mg-Na-O-Ti,15.0,"Invalid WP multiplicities - A2BC2D8E2_tP15_115_g_a_g_2e2f2g_g:La-Mg-Na-O-Ti, expected Na2La2MgTi2O12 to be Na2La2MgTi2O8" +mp-2228932,Na2La2MgTi3O10,-7.9821632561,-3.1337905889,0.1615720269,0.1615720269,GGA,I-4m2,A2BC2D10E3_tI36_119_e_c_e_2e3f_ae:La-Mg-Na-O-Ti,18.0,"Invalid WP multiplicities - A2BC2D10E3_tI36_119_e_c_e_2e5f_ae:La-Mg-Na-O-Ti, expected Na2La2MgTi3O14 to be Na2La2MgTi3O10" +mp-2229127,Na2La2MgTi3O10,-7.8796820661,-3.0313093989,0.2640532169,0.2640532169,GGA,I4/mmm,A2BC2D10E3_tI36_139_e_a_e_c2eg_be:La-Mg-Na-O-Ti,18.0,"Invalid WP multiplicities - A2BC2D10E3_tI36_139_e_a_e_2c2eg_be:La-Mg-Na-O-Ti, expected Na2La2MgTi3O12 to be Na2La2MgTi3O10" +mp-1212298,PdRuBr4N5Cl,-5.2194334154,0.1303506642,0.6044301482000001,0.6044301482000001,GGA,Pnma,A4BC5DE_oP48_62_2cd_c_c2d_c_c:Br-Cl-N-Pd-Ru,48.0,A4BC5DE_oP48_62_2cd_c_c2d_c_c:Br-Cl-N-Pd-Ru +mp-1218527,SrCaDy4Be2O10,-7.9622576956,-3.5695936102,0.062357287,0.062357287,GGA,P2_1,A2BC4D10E_mP36_4_2a_a_4a_10a_a:Be-Ca-Dy-O-Sr,36.0,"Invalid WP multiplicities - A2BC4D10E_mP36_4_4a_a_6a_20a_a:Be-Ca-Dy-O-Sr, expected SrCaDy6Be4O20 to be SrCaDy4Be2O10" +mp-14825,Sr2ErCu3(PbO4)2,-6.2745621444,-2.0718665471,0.0306054996,0.0306054996,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Er-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2ghi_h_g:Cu-Er-O-Pb-Sr, expected Sr2ErCu3(PbO5)2 to be Sr2ErCu3(PbO4)2" +mp-642625,Hg12SbBr(ClO3)2,-2.6485460544,-0.7074824391,0.0315473556,0.0315473556,GGA,P3,AB2C12D6E_hP66_143_abc_2d_12d_6d_abc:Br-Cl-Hg-O-Sb,66.0,"Invalid WP multiplicities - AB2C12D6E_hP66_143_abc_4d_35d_14d_abc:Br-Cl-Hg-O-Sb, expected Hg35SbBr(Cl2O7)2 to be Hg12SbBr(ClO3)2" +mp-766017,Li4Mn2Ni3Sb3O16,-6.6685009693,-1.8529954268,0.0796594392,0.0796594392,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Mn-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Mn-Ni-O-Sb, expected Li4Mn2Ni3Sb3O20 to be Li4Mn2Ni3Sb3O16" +mp-757668,Li4Mn3Ni2Sb3O16,-6.8609107175,-1.924623796,0.0732955211,0.0732955211,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Ni-O-Sb, expected Li4Mn3Ni2Sb3O20 to be Li4Mn3Ni2Sb3O16" +mp-770685,Li4Mn3Ni3(SbO8)2,-6.8695898914,-1.874333847,0.0428080348,0.0428080348,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-Sb,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-Sb, expected Li4Mn3Ni3(SbO10)2 to be Li4Mn3Ni3(SbO8)2" +mp-1228431,Ba2Cu3BrClO4,-5.4226727009,-1.847773635,0.0016356168,0.0016356168,GGA,I-4m2,A2BCD3E4_tI22_119_f_a_b_ce_h:Ba-Br-Cl-Cu-O,11.0,A2BCD3E4_tI22_119_f_a_b_ce_h:Ba-Br-Cl-Cu-O +mp-18547,NaGdGeO4,-8.5252267929,-2.8383081881,0.0,-0.0377208129,GGA,Pnma,ABCD4_oP28_62_c_c_a_2cd:Gd-Ge-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:Gd-Ge-Na-O +mp-653930,CuAs2Pb8Cl5O9,-5.4347264552,-1.5594663856,0.0,-0.0031965568,GGA,C2/m,A2B5CD9E8_mC100_12_j_i2j_g_i4j_2i3j:As-Cl-Cu-O-Pb,50.0,"Invalid WP multiplicities - A2B5CD9E8_mC100_12_j_i4j_g_2i16j_4i9j:As-Cl-Cu-O-Pb, expected CuAs2Pb22Cl9O34 to be CuAs2Pb8Cl5O9" +mp-677164,CuAs2Pb6Cl7O6,-5.1131474473,-1.5534558660000002,0.0,-0.0031211467,GGA,R3,A2B7CD6E6_hR66_146_2a_a2b_a_2b_2b:As-Cl-Cu-O-Pb,22.0,"Invalid WP multiplicities - A2B7CD6E6_hR66_146_2a_a4b_a_2b_6b:As-Cl-Cu-O-Pb, expected CuAs2Pb18Cl13O6 to be CuAs2Pb6Cl7O6" +mp-14353,BaNaNd(GeO3)3,-7.0829714685,-2.6563761597,0.0,-0.0181816266,GGA,P2_12_12_1,AB3CDE9_oP60_19_a_3a_a_a_9a:Ba-Ge-Na-Nd-O,60.0,"Invalid WP multiplicities - AB3CDE9_oP60_19_a_6a_a_a_12a:Ba-Ge-Na-Nd-O, expected BaNaNd(GeO2)6 to be BaNaNd(GeO3)3" +mp-1215058,BaNa2(Ge4O9)2,-6.7397074304,-2.2366507004,0.0146732976,0.0146732976,GGA,P-3c1,AB8C2D18_hP174_165_f_ab2d3g_g_9g:Ba-Ge-Na-O,174.0,AB8C2D18_hP174_165_f_ab2d3g_g_9g:Ba-Ge-Na-O +mp-1367446,Ba2Ca2Tl2Sn3O10,-6.0574886737,-2.1590655889,0.2667103639,0.2667103639,GGA,P1,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Ca-O-Sn-Tl,19.0,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Ca-O-Sn-Tl +mp-1048012,Ba2Ca3Tl2(SnO3)4,-6.0242693404,-2.1121568288,0.3310369283,0.3310369283,GGA,I4/mmm,A2B3C12D4E2_tI46_139_e_ae_2e2g_2e_e:Ba-Ca-O-Sn-Tl,23.0,"Invalid WP multiplicities - A2B3C12D4E2_tI46_139_e_ae_4e6g_3e_e:Ba-Ca-O-Sn-Tl, expected Ba2Ca3Tl2(Sn3O16)2 to be Ba2Ca3Tl2(SnO3)4" +mp-1097503,Ca2TlSn,-1.417447665,1.1784060254,1.7251573738,1.7251573738,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Sn-Tl,4.0,A2BC_oI8_71_e_a_b:Ca-Sn-Tl +mp-1183512,Ca2TlSn,-3.136680215,-0.5408265246,0.0059248238,0.0059248238,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Sn-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Sn-Tl +mp-1206046,Zr6CoBi2,-7.7078122856,-0.3660900817,0.0,-0.0773228801,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Co-Zr,9.0,A2BC6_hP9_189_c_b_fg:Bi-Co-Zr +mp-31451,ZrCoBi,-6.9363322267,-0.437496375,0.0,-0.12782766,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Co-Zr,3.0,ABC_cF12_216_a_c_b:Bi-Co-Zr +mp-2226422,Ba2MgCuHgO4,-4.8343772322,-1.5423914756,0.6608689783,0.6608689783,GGA,P4/mmm,A2BCDE4_tP9_123_h_b_a_c_eg:Ba-Cu-Hg-Mg-O,9.0,A2BCDE4_tP9_123_h_b_a_c_eg:Ba-Cu-Hg-Mg-O +mp-1097615,Ba2MgHg,-0.3273313,1.1081462738,1.4139355361,1.4139355361,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Mg,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Mg +mp-1096735,BaMgHg2,-0.2935166975,0.7381372325000001,1.1370842047,1.1370842047,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-Mg,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-Mg +mp-1518025,BaCaInBiO6,-6.313431464,-2.2937434692,0.0238212834,0.0238212834,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Ca-In-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Ca-In-O, expected BaCaInBiO12 to be BaCaInBiO6" +mp-1518032,BaCaInBiO6,-6.3069284878000005,-2.287240493,0.0303242597,0.0303242597,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Bi-Ca-In-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Bi-Ca-In-O, expected BaCa2InBiO12 to be BaCaInBiO6" +mp-1518191,BaCaInBiO6,-6.207853383,-2.1881653882,0.1293993644,0.1293993644,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-In-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-In-O +mp-866179,Li2NdTl,-2.9982595525,-0.2611004744,0.0,-0.0372868403,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Nd-Tl,4.0,A2BC_cF16_225_c_a_b:Li-Nd-Tl +mp-560630,NdTl(MoO4)2,-8.0580275946,-2.3583942205,0.0,-0.0217516217,GGA+U,P4/nnc,A2BC8D_tP24_126_d_a_k_b:Mo-Nd-O-Tl,24.0,A2BC8D_tP24_126_d_a_k_b:Mo-Nd-O-Tl +mp-556157,LiTl3(MoO4)2,-6.831544975,-1.8128548167,0.0022965461,0.0022965461,GGA+U,P6_3mc,AB2C8D3_hP28_186_b_2b_2b2c_2ab:Li-Mo-O-Tl,28.0,"Invalid WP multiplicities - AB2C8D3_hP28_186_b_3b_3b7c_3ab:Li-Mo-O-Tl, expected LiTl4(MoO8)3 to be LiTl3(MoO4)2" +mp-866019,LiNdTl2,-3.19029372,-0.3397045719,0.0,-0.0147590611,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Nd-Tl,4.0,ABC2_cF16_225_a_b_c:Li-Nd-Tl +mp-630880,LiNd2Tl(MoO4)4,-8.1103072733,-2.4295789109,0.0071200048,0.0071200048,GGA+U,C2/c,AB4C2D16E_mC96_15_e_2f_f_8f_e:Li-Mo-Nd-O-Tl,48.0,"Invalid WP multiplicities - AB4C2D16E_mC96_15_e_4f_f_31f_e:Li-Mo-Nd-O-Tl, expected LiNd2Tl(Mo4O31)2 to be LiNd2Tl(MoO4)4" +mp-543110,Nd2Tl(MoO4)4,-8.1679872937,-2.323267388,0.0645008215,0.0645008215,GGA+U,C2/c,A4B2C16D_mC92_15_2f_f_8f_e:Mo-Nd-O-Tl,46.0,"Invalid WP multiplicities - A4B2C16D_mC92_15_5f_f_31f_e:Mo-Nd-O-Tl, expected Nd2Tl(Mo5O31)2 to be Nd2Tl(MoO4)4" +mp-1211319,La2CoRuO6,-8.244402905,-2.6509162238,0.0,-0.0073238385,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-La-O-Ru,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-La-O-Ru +mp-1218222,SrLaCoRuO6,-7.559127618,-2.2902923019,0.1320489364,0.1320489364,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Co-La-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Co-La-O-Ru-Sr +mp-561553,Ba4CeMn3O12,-7.799968104,-2.7772031377,0.0,-0.0170486627,GGA+U,R-3m,A4BC3D12_hR60_166_2c_a_bc_2h:Ba-Ce-Mn-O,20.0,"Invalid WP multiplicities - A4BC3D12_hR60_166_4c_a_bc_7h:Ba-Ce-Mn-O, expected Ba8CeMn3O42 to be Ba4CeMn3O12" +mp-1519131,BaNaCeMnO6,-7.388317489,-2.5866437942,0.1235942618,0.1235942618,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Mn-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Mn-Na-O +mp-1186328,NdSmMg2,-3.2693942725,-0.0975708556,0.006677425,0.006677425,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Nd-Sm,4.0,A2BC_cF16_225_c_a_b:Mg-Nd-Sm +mp-771902,Li4Ti3Cr2Fe3O16,-8.0330246493,-2.4906908826,0.0648301043,0.0648301043,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cr-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Cr-Fe-Li-O-Ti, expected Li4Ti3Cr2Fe3O20 to be Li4Ti3Cr2Fe3O16" +mp-770520,Li4Ti2Cr3Fe3O16,-7.9287510939,-2.3236474896,0.0838656058,0.0838656058,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Fe-Li-O-Ti, expected Li4Ti2Cr3Fe3O20 to be Li4Ti2Cr3Fe3O16" +mp-769457,Li4Ti4Cr(Fe2O9)2,-8.0385878668,-2.4969366201,0.0960131097,0.0960131097,GGA+U,Pbam,AB4C4D18E4_oP62_55_a_gh_2g_4g5h_gh:Cr-Fe-Li-O-Ti,62.0,"Invalid WP multiplicities - AB4C4D18E4_oP62_55_a_3g2h_5g_12g20h_3g2h:Cr-Fe-Li-O-Ti, expected Li10Ti10Cr(Fe5O32)2 to be Li4Ti4Cr(Fe2O9)2" +mp-776639,Li4Ti3Cr3(FeO8)2,-8.1612010436,-2.576616339,0.0402457973,0.0402457973,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-Ti,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-Ti +mp-1219997,PrFeNi4,-6.2472458933,-0.1853336125,0.0441582562,0.0441582562,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Fe-Ni-Pr,6.0,AB4C_hP6_187_a_ck_e:Fe-Ni-Pr +mp-1236767,LiLa2Fe2(TeO6)2,-7.2782381916,-2.311508938,0.0593788224,0.0593788224,GGA+U,P3,A2B2CD12E2_hP19_143_ab_2c_a_4d_ab:Fe-La-Li-O-Te,19.0,A2B2CD12E2_hP19_143_ab_2c_a_4d_ab:Fe-La-Li-O-Te +mp-1235376,LiLa2Fe2(TeO6)2,-7.27704325,-2.3103139964,0.0605737639,0.0605737639,GGA+U,P312,A2B2CD12E2_hP19_149_ad_i_e_2l_bc:Fe-La-Li-O-Te,19.0,"Invalid WP multiplicities - A2B2CD12E2_hP19_149_ad_i_e_3l_bc:Fe-La-Li-O-Te, expected LiLa2Fe2(TeO9)2 to be LiLa2Fe2(TeO6)2" +mp-1222666,LiMn2Cu(RuO4)2,-7.5304372493,-1.6408318999,0.0416353743,0.0416353743,GGA+U,Imm2,ABC2D8E2_oI28_44_a_b_c_2c2d_d:Cu-Li-Mn-O-Ru,14.0,ABC2D8E2_oI28_44_a_b_c_2c2d_d:Cu-Li-Mn-O-Ru +mp-16792,Ba4LiTa3O12,-8.5950877108,-3.3691667082,0.0,-0.0329447108,GGA,P6_3mc,A4BC12D3_hP40_186_a3b_a_4c_a2b:Ba-Li-O-Ta,40.0,"Invalid WP multiplicities - A4BC12D3_hP40_186_a3b_a_6c_a2b:Ba-Li-O-Ta, expected Ba4LiTa3O18 to be Ba4LiTa3O12" +mp-773118,Ba6Li2Ta9Ti7O42,-9.246943008,-3.4123814318,0.006872654,0.006872654,GGA,Cm,A6B2C42D9E7_mC132_8_2a2b_2a_6a18b_a4b_3a2b:Ba-Li-O-Ta-Ti,66.0,"Invalid WP multiplicities - A6B2C42D9E7_mC132_8_2a3b_2a_6a36b_a7b_3a3b:Ba-Li-O-Ta-Ti, expected Ba8Li2Ta15Ti9O78 to be Ba6Li2Ta9Ti7O42" +mp-677212,Ba3LiTa3Ti5O21,-9.106517237,-3.4520595522,0.0022602644,0.0022602644,GGA,Cmc2_1,A3BC21D3E5_oC132_36_ab_a_3a9b_ab_a2b:Ba-Li-O-Ta-Ti,66.0,"Invalid WP multiplicities - A3BC21D3E5_oC132_36_a2b_a_6a35b_2ab_2a6b:Ba-Li-O-Ta-Ti, expected Ba5LiTa4Ti14O76 to be Ba3LiTa3Ti5O21" +mp-772523,Ba8LiTa7O24,-8.7766502948,-3.3020079231,0.034513484,0.034513484,GGA,P3m1,A8BC24D7_hP40_156_2a3b3c_a_8d_3a2b2c:Ba-Li-O-Ta,40.0,"Invalid WP multiplicities - A8BC24D7_hP40_156_2a3b3c_a_24d_3a2b2c:Ba-Li-O-Ta, expected Ba8LiTa7O72 to be Ba8LiTa7O24" +mp-2218833,MgTi3CuO8,-8.2114357,-2.9068608954,0.1555410723,0.1555410723,GGA,Pmm2,ABC8D3_oP13_25_d_a_2a2b2c2d_abc:Cu-Mg-O-Ti,13.0,ABC8D3_oP13_25_d_a_2a2b2c2d_abc:Cu-Mg-O-Ti +mp-2219707,MgTi3CuO8,-8.1641077354,-2.8595329308,0.2028690369,0.2028690369,GGA,Pmm2,ABC8D3_oP13_25_a_a_2a2b2c2d_bcd:Cu-Mg-O-Ti,13.0,ABC8D3_oP13_25_a_a_2a2b2c2d_bcd:Cu-Mg-O-Ti +mp-2227545,MgTi3CuO8,-8.1816211192,-2.8770463146000003,0.1853556531,0.1853556531,GGA,Pmm2,ABC8D3_oP13_25_b_a_2a2b2c2d_acd:Cu-Mg-O-Ti,13.0,ABC8D3_oP13_25_b_a_2a2b2c2d_acd:Cu-Mg-O-Ti +mp-1040904,MgTi2(CuO4)2,-7.3282216138,-2.315668759,0.1140517466,0.1140517466,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-Ti,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-Ti, expected MgTi5(Cu3O13)2 to be MgTi2(CuO4)2" +mp-1032315,Mg6NbCuO8,-6.5251223944,-2.5641410381,0.285882938,0.285882938,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cu-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cu-Mg-Nb-O, expected Mg6NbCuO12 to be Mg6NbCuO8" +mp-1099236,Mg6NbCuO8,-6.5430609331,-2.5820795769,0.2679443993,0.2679443993,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cu-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cu-Mg-Nb-O, expected Mg6NbCuO12 to be Mg6NbCuO8" +mp-1233180,MgTi4(CuO4)3,-7.696235288,-2.4542286549,0.2503917795,0.2503917795,GGA,Cm,A3BC12D4_mC40_8_3a_a_4a4b_2b:Cu-Mg-O-Ti,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_8_3a_a_4a7b_3b:Cu-Mg-O-Ti, expected MgTi6(CuO6)3 to be MgTi4(CuO4)3" +mp-1233258,MgTi4(CuO4)3,-7.8299200395,-2.5879134064,0.116707028,0.116707028,GGA,Cm,A3BC12D4_mC40_8_3a_a_4a4b_2b:Cu-Mg-O-Ti,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_8_3a_a_4a7b_3b:Cu-Mg-O-Ti, expected MgTi6(CuO6)3 to be MgTi4(CuO4)3" +mp-1042608,MgTi4(CuO4)3,-7.826367204,-2.5843605709,0.1202598635,0.1202598635,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Ti,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-Ti +mp-1035335,Mg14TiCuO16,-6.4500866709,-2.9017854595,0.1067736101,0.1067736101,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Ti, expected Mg18TiCuO20 to be Mg14TiCuO16" +mp-1035429,Mg14TiCuO16,-6.4418751481,-2.8935739367,0.1149851329,0.1149851329,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Ti, expected Mg30TiCuO32 to be Mg14TiCuO16" +mp-1037311,Mg30TiCuO32,-6.3892349889,-2.9783421929,0.0529574916,0.0529574916,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Ti, expected Mg90TiCuO80 to be Mg30TiCuO32" +mp-1037361,Mg30TiCuO32,-6.3844201434,-2.9735273474,0.0577723371,0.0577723371,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Ti, expected Mg110TiCuO72 to be Mg30TiCuO32" +mp-1048563,Mg2Nb2CuO8,-7.8600316369,-2.7003480569,0.0692256704,0.0692256704,GGA,C2/c,AB2C2D8_mC52_15_e_f_f_4f:Cu-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_15_e_f_f_5f:Cu-Mg-Nb-O, expected Mg2Nb2CuO10 to be Mg2Nb2CuO8" +mp-2230195,MgTi2Nb2(CuO4)3,-7.8798357055,-2.4172477701,0.2206442112,0.2206442112,GGA,P1,A3BC2D12E2_aP20_1_3a_a_2a_12a_2a:Cu-Mg-Nb-O-Ti,20.0,A3BC2D12E2_aP20_1_3a_a_2a_12a_2a:Cu-Mg-Nb-O-Ti +mp-2230035,MgTi2Nb2(CuO4)3,-7.87739075,-2.4148028146,0.2230891667,0.2230891667,GGA,P1,A3BC2D12E2_aP20_1_3a_a_2a_12a_2a:Cu-Mg-Nb-O-Ti,20.0,A3BC2D12E2_aP20_1_3a_a_2a_12a_2a:Cu-Mg-Nb-O-Ti +mp-2230186,MgTi2Nb2(CuO4)3,-7.9405914975,-2.4780035621,0.1598884192,0.1598884192,GGA,C2/m,A3BC2D12E2_mC40_12_abc_d_f_2i2j_e:Cu-Mg-Nb-O-Ti,20.0,"Invalid WP multiplicities - A3BC2D12E2_mC40_12_abc_d_f_3i4j_e:Cu-Mg-Nb-O-Ti, expected MgTi2Nb2Cu3O22 to be MgTi2Nb2(CuO4)3" +mp-1035274,Mg14NbCuO16,-6.4228022647,-2.8055693962,0.1464627415,0.1464627415,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cu-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cu-Mg-Nb-O, expected Mg18NbCuO20 to be Mg14NbCuO16" +mp-1035359,Mg14NbCuO16,-6.4231664550000005,-2.8059335866,0.1460985512,0.1460985512,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cu-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cu-Mg-Nb-O, expected Mg30NbCuO32 to be Mg14NbCuO16" +mp-2217464,MgTiCu3O4,-6.2781818778,-1.6581655531,0.4288876339,0.4288876339,GGA,Cm,A3BC4D_mC18_8_3a_a_4a_a:Cu-Mg-O-Ti,9.0,A3BC4D_mC18_8_3a_a_4a_a:Cu-Mg-O-Ti +mp-1099237,Mg6TiCuO8,-6.5695457975,-2.7464277552,0.2166500845,0.2166500845,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Ti, expected Mg6TiCuO12 to be Mg6TiCuO8" +mp-1032105,Mg6TiCuO8,-6.567945965,-2.7448279227,0.218249917,0.218249917,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Ti, expected Mg6TiCuO12 to be Mg6TiCuO8" +mp-1037239,Mg30NbCuO32,-6.3739433717,-2.9285847472,0.0744514714,0.0744514714,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cu-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cu-Mg-Nb-O, expected Mg110NbCuO72 to be Mg30NbCuO32" +mp-1037306,Mg30NbCuO32,-6.3733379531,-2.9279793286,0.07505689,0.07505689,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cu-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cu-Mg-Nb-O, expected Mg90NbCuO80 to be Mg30NbCuO32" +mp-2230545,MgTi3Nb(CuO4)3,-7.807889148,-2.4555918638,0.2156643441,0.2156643441,GGA,P1,A3BCD12E3_aP20_1_3a_a_a_12a_3a:Cu-Mg-Nb-O-Ti,20.0,A3BCD12E3_aP20_1_3a_a_a_12a_3a:Cu-Mg-Nb-O-Ti +mp-2231811,MgTi3Nb(CuO4)3,-7.8844269985,-2.5321297142,0.1391264936,0.1391264936,GGA,R-3,A3BCD12E3_hR60_148_d_b_a_2f_e:Cu-Mg-Nb-O-Ti,20.0,"Invalid WP multiplicities - A3BCD12E3_hR60_148_d_b_a_9f_e:Cu-Mg-Nb-O-Ti, expected MgTi3Nb(CuO18)3 to be MgTi3Nb(CuO4)3" +mp-18320,Mn4Be3Si3TeO12,-8.2245529607,-2.7182127745,0.0,-0.0566148876,GGA+U,P-43n,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Mn-O-Si-Te,46.0,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Mn-O-Si-Te +mp-1250945,Mn2Be3(SiO4)3,-8.012974505,-2.7540501148,0.1539732162,0.1539732162,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Be-Mn-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_4e_2e_17e_3e:Be-Mn-O-Si, expected Mn2Be4Si3O17 to be Mn2Be3(SiO4)3" +mp-1200010,Mn8Si6ClO24,-8.2630654301,-2.4574988597000003,0.1007572328,0.1007572328,GGA+U,C2/m,AB8C24D6_mC156_12_i_2g2i2j_h5i9j_3j:Cl-Mn-O-Si,78.0,AB8C24D6_mC156_12_i_2g2i2j_h5i9j_3j:Cl-Mn-O-Si +mp-1212175,Mn8Si6ClO24,-8.2491243844,-2.4435578139,0.1146982786,0.1146982786,GGA+U,P-3m1,AB8C24D6_hP78_164_d_aegi_h5ij_j:Cl-Mn-O-Si,78.0,AB8C24D6_hP78_164_d_aegi_h5ij_j:Cl-Mn-O-Si +mp-1193890,Mn4SiTeCl2O7,-7.7240216423,-2.154649683,0.0,-0.0531945023,GGA+U,P2_1/m,A2B4C7DE_mP30_11_2e_2ef_3e2f_e_e:Cl-Mn-O-Si-Te,30.0,"Invalid WP multiplicities - A2B4C7DE_mP30_11_2e_2e2f_3e2f_e_e:Cl-Mn-O-Si-Te, expected Mn6SiTeCl2O7 to be Mn4SiTeCl2O7" +mp-1227177,CaEuSi4,-6.0577833117,-0.3971376783,0.0063320425,0.0063320425,GGA,I-4m2,ABC4_tI12_119_a_c_ef:Ca-Eu-Si,6.0,"Invalid WP multiplicities - ABC4_tI12_119_a_c_2e2f:Ca-Eu-Si, expected CaEuSi8 to be CaEuSi4" +mp-1517329,NaSrGdSeO6,-7.432724716,-2.4063062428,0.1358118802,0.1358118802,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Gd-Na-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Gd-Na-O-Se-Sr +mp-1521282,Sr2TbZrO6,-8.0001512875,-3.3760326971,0.0902762642,0.0902762642,GGA,Pn-3,A6B2CD_cP40_201_h_ad_b_c:O-Sr-Tb-Zr,40.0,A6B2CD_cP40_201_h_ad_b_c:O-Sr-Tb-Zr +mp-1521033,Sr2TbZrO6,-7.93173609,-3.3076174996,0.1586914617,0.1586914617,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-Zr,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-Zr +mp-1517876,BaSrTbZrO6,-8.03265497,-3.3855882309,0.0696618313,0.0696618313,GGA,P-1,AB6CDE_aP20_2_i_6i_i_ah_be:Ba-O-Sr-Tb-Zr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_i_ah_be:Ba-O-Sr-Tb-Zr, expected BaSrTbZrO12 to be BaSrTbZrO6" +mp-1517891,BaSrTbZrO6,-8.029607124,-3.3825403849,0.0727096773,0.0727096773,GGA,P222,AB6CDE_oP40_16_abcf_6u_degh_u_u:Ba-O-Sr-Tb-Zr,40.0,AB6CDE_oP40_16_abcf_6u_degh_u_u:Ba-O-Sr-Tb-Zr +mp-1517924,BaSrTbZrO6,-7.988725011,-3.3416582719,0.1135917903,0.1135917903,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-Zr +mp-1520812,Ba2TbZrO6,-8.0532872363,-3.3832723485,0.0506230372,0.0506230372,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Tb-Zr,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Tb-Zr +mp-1520765,Ba2TbZrO6,-8.047464485,-3.3774495973,0.0564457884,0.0564457884,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Tb-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Tb-Zr +mp-1220776,NaLaMgTeO6,-6.667661936,-2.5994368751,0.014549462,0.0131408973,GGA,Cm,ABCD6E_mC20_8_a_a_a_2a2b_a:La-Mg-Na-O-Te,10.0,"Invalid WP multiplicities - ABCD6E_mC20_8_a_a_a_2a3b_a:La-Mg-Na-O-Te, expected NaLaMgTeO8 to be NaLaMgTeO6" +mp-9239,NaLaMgTeO6,-6.682211398,-2.6139863371,0.0,-0.0014085647,GGA,P2_1/m,ABCD6E_mP20_11_e_e_e_2e2f_e:La-Mg-Na-O-Te,20.0,ABCD6E_mP20_11_e_e_e_2e2f_e:La-Mg-Na-O-Te +mp-1227782,BaSrEuCu3O7,-6.7328511685,-2.0567041545,0.0335894974,0.0335894974,GGA,Pmm2,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Eu-O-Sr,13.0,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Eu-O-Sr +mp-1522573,SmEuNbCrO6,-9.415192127,-2.9741848557,0.2158692782,0.2158692782,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sm,,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sm +mp-1516762,SrTbNdCoO6,-7.52112705,-2.7330813452,0.2128109096,0.2128109096,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Co-Nd-O-Sr-Tb,,ABC6DE_cF40_216_a_c_f_d_b:Co-Nd-O-Sr-Tb +mp-1045705,ZnSbAs2SeO7,-5.8138440769,-1.4113679005,0.2104400088,0.2104400088,GGA,I4_1/a,A2B7CDE_tI192_88_2f_7f_f_f_f:As-O-Sb-Se-Zn,96.0,"Invalid WP multiplicities - A2B7CDE_tI192_88_11f_51f_f_f_f:As-O-Sb-Se-Zn, expected ZnSbAs11SeO51 to be ZnSbAs2SeO7" +mp-1522436,BaSrEuBiO6,-7.3491100825,-2.6105009234,0.0098719466,0.0098719466,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Bi-Eu-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Bi-Eu-O-Sr, expected BaSrEuBiO12 to be BaSrEuBiO6" +mp-1522203,BaSrEuBiO6,-7.341328139,-2.6027189799,0.0176538901,0.0176538901,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Eu-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Eu-O-Sr +mp-1522406,BaSrEuBiO6,-7.294969337,-2.5563601779000003,0.0640126921,0.0640126921,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Eu-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Eu-O-Sr +mp-1197501,Bi6Se3(BrO7)2,-5.7893250938000005,-1.5537103806,0.0045883533,0.0045883533,GGA,P-1,A6B2C14D3_aP50_2_6i_2i_14i_3i:Bi-Br-O-Se,50.0,A6B2C14D3_aP50_2_6i_2i_14i_3i:Bi-Br-O-Se +mp-628637,Cu3BiSe2BrO8,-5.4860464903,-1.202281816,0.0,-0.01102152,GGA,Pmmn,ABC3D8E2_oP30_59_a_b_ac_2eg_e:Bi-Br-Cu-O-Se,30.0,"Invalid WP multiplicities - ABC3D8E2_oP30_59_a_b_a2c_5e4g_e:Bi-Br-Cu-O-Se, expected Cu5BiSe2BrO26 to be Cu3BiSe2BrO8" +mp-1521197,BaCaGdSbO6,-8.205981963,-3.0249989063,0.0371171576,0.0371171576,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Gd-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Gd-O-Sb, expected BaCaGdSbO12 to be BaCaGdSbO6" +mp-1521131,BaCaGdSbO6,-8.205661599,-3.0246785422,0.0374375216,0.0374375216,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Ca-Gd-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Ca-Gd-O-Sb, expected BaCa2GdSbO12 to be BaCaGdSbO6" +mp-1521194,BaCaGdSbO6,-8.143129299,-2.9621462423,0.0999698216,0.0999698216,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Gd-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Gd-O-Sb +mp-2215872,Sm2MgCr2O8,-8.2083971731,-2.8301620231,0.1316532298,0.1316532298,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Cr-Mg-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Cr-Mg-O-Sm, expected Sm2MgCr2O16 to be Sm2MgCr2O8" +mp-2215815,Sm2MgCr2O8,-8.20337459,-2.82513944,0.1366758129,0.1366758129,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Sm,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Cr-Mg-O-Sm, expected Sm2MgCr2O14 to be Sm2MgCr2O8" +mp-1516638,NdSmCr4O12,-8.232713535,-2.2627586471,0.2520110844,0.2520110844,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Cr-Nd-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Cr-Nd-O-Sm, expected NdSmCr4O18 to be NdSmCr4O12" +mp-1102795,ErZnPt,-4.9550289333,-0.9888303533,0.0,-0.0820196269,GGA,Pnma,ABC_oP12_62_c_c_c:Er-Pt-Zn,12.0,ABC_oP12_62_c_c_c:Er-Pt-Zn +mp-561249,Ba17Er16Zn8Pt4O57,-7.1421611487,-3.0046139562,0.0,-0.0038683413,GGA,I4/m,A17B16C57D4E8_tI204_87_a4h_4h_b4h5i_h_2h:Ba-Er-O-Pt-Zn,102.0,"Invalid WP multiplicities - A17B16C57D4E8_tI204_87_a12h_14h_b16h35i_h_5h:Ba-Er-O-Pt-Zn, expected Ba49Er56Zn20Pt4O345 to be Ba17Er16Zn8Pt4O57" +mp-1522613,BaEuCrSnO6,-8.123835514,-2.5719626807,0.1234922848,0.1234922848,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Eu-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Eu-O-Sn +mp-1519014,CaTbEuSbO6,-8.023325261,-2.9527151322,0.1272832033,0.1272832033,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Tb +mp-1521801,CaPrZrFeO6,-8.378934154,-3.0304981797,0.1853500963,0.1853500963,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Fe-O-Pr-Zr +mp-1228537,Ba9Ca3La4(Fe4O15)2,-7.5483321046,-2.7484722243,0.0,-0.0079348766,GGA+U,P1,A9B3C8D4E30_aP54_1_9a_3a_8a_4a_30a:Ba-Ca-Fe-La-O,54.0,A9B3C8D4E30_aP54_1_9a_3a_8a_4a_30a:Ba-Ca-Fe-La-O +mp-1046109,Ba2Ca2Ti3Tl2O10,-7.3041332147,-2.7921437886,0.3324474223,0.3324474223,GGA,P1,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Ca-O-Ti-Tl,19.0,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Ca-O-Ti-Tl +mp-1047819,Ba2Ca3Ti4Tl2O12,-7.4284174909,-2.8404927772,0.289537344,0.289537344,GGA,I4/mmm,A2B3C12D4E2_tI46_139_e_ae_2e2g_2e_e:Ba-Ca-O-Ti-Tl,23.0,"Invalid WP multiplicities - A2B3C12D4E2_tI46_139_e_ae_4e6g_3e_e:Ba-Ca-O-Ti-Tl, expected Ba2Ca3Ti6Tl2O32 to be Ba2Ca3Ti4Tl2O12" +mp-1205140,Nd6Al43Cr4,-4.5663652798,-0.2591797107,0.0051123232,0.0051123232,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Nd,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Nd +mp-1203374,Nd(Al10Cr)2,-4.2351868333,0.0685418177,0.2207291246,0.2207291246,GGA,Fd-3m,A20B2C_cF184_227_dfg_c_a:Al-Cr-Nd,46.0,A20B2C_cF184_227_dfg_c_a:Al-Cr-Nd +mp-1104537,Nd(Al2Cr)4,-5.8347218815,-0.192803116,0.0346621089,0.0346621089,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Nd,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Nd +mp-1220989,NaNd3Ti2(SbO7)2,-8.0455266395,-3.094181364,0.0038518452,0.0038518452,GGA,C2/m,AB3C14D2E2_mC44_12_a_ce_3i2j_f_bd:Na-Nd-O-Sb-Ti,22.0,"Invalid WP multiplicities - AB3C14D2E2_mC44_12_a_cf_5i6j_e_bd:Na-Nd-O-Sb-Ti, expected NaNd3Ti2(SbO17)2 to be NaNd3Ti2(SbO7)2" +mp-40484,NaNd3Ti2(SbO7)2,-8.0488472355,-3.0975019599,0.0005312493,0.0005312493,GGA,P2/c,AB3C14D2E2_mP44_13_a_cef_7g_de_bf:Na-Nd-O-Sb-Ti,44.0,"Invalid WP multiplicities - AB3C14D2E2_mP44_13_a_2ce2f_27g_de_bf:Na-Nd-O-Sb-Ti, expected NaNd5Ti2(SbO27)2 to be NaNd3Ti2(SbO7)2" +mp-1218252,SrLaMnFeO6,-8.0858197315,-2.6920527987,0.0519204198,0.0519204198,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mn-O-Sr,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mn-O-Sr +mp-684865,SrLaMnFeO6,-8.0558881168,-2.662121184,0.0818520345,0.0818520345,GGA+U,P2/c,ABCD6E_mP40_13_g_ef_g_2e2f4g_ef:Fe-La-Mn-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_mP40_13_g_2ef_g_4e4f15g_2ef:Fe-La-Mn-O-Sr, expected Sr3La3Mn2(FeO19)2 to be SrLaMnFeO6" +mp-1173239,Sr3La7Mn9FeO30,-8.4159842844,-2.836997279,0.1469070615,0.1469070615,GGA+U,C2,AB7C9D30E3_mC200_5_c_ab6c_9c_ab29c_3c:Fe-La-Mn-O-Sr,100.0,"Invalid WP multiplicities - AB7C9D30E3_mC200_5_c_ab12c_17c_ab56c_5c:Fe-La-Mn-O-Sr, expected Sr5La13Mn17FeO57 to be Sr3La7Mn9FeO30" +mp-705096,Sr3La7Mn8(FeO15)2,-8.3957039934,-2.8305568696,0.1354882434,0.1354882434,GGA+U,P1,A2B7C8D30E3_aP50_1_2a_7a_8a_30a_3a:Fe-La-Mn-O-Sr,50.0,A2B7C8D30E3_aP50_1_2a_7a_8a_30a_3a:Fe-La-Mn-O-Sr +mp-706341,Sr3La7Mn7(FeO10)3,-8.3630808832,-2.8117736411000003,0.1344200343,0.1344200343,GGA+U,P1,A3B7C7D30E3_aP50_1_3a_7a_7a_30a_3a:Fe-La-Mn-O-Sr,50.0,A3B7C7D30E3_aP50_1_3a_7a_7a_30a_3a:Fe-La-Mn-O-Sr +mp-2226178,MgZnCu2SnS4,-4.1729367611,-0.6602913919,0.221759511,0.221759511,GGA,C2,A2BC4DE_mC18_5_ab_a_2c_b_a:Cu-Mg-S-Sn-Zn,9.0,A2BC4DE_mC18_5_ab_a_2c_b_a:Cu-Mg-S-Sn-Zn +mp-2240691,MgZnCu2SnS4,-4.2087162089,-0.6960708397,0.1859800632,0.1859800632,GGA,Cm,A2BC4DE_mC18_8_b_a_2ab_a_a:Cu-Mg-S-Sn-Zn,9.0,A2BC4DE_mC18_8_b_a_2ab_a_a:Cu-Mg-S-Sn-Zn +mp-2222882,MgZnCu2SnS4,-4.1587084489,-0.6460630797,0.2359878232,0.2359878232,GGA,I222,A2BC4DE_oI18_23_f_c_k_a_b:Cu-Mg-S-Sn-Zn,9.0,A2BC4DE_oI18_23_f_c_k_a_b:Cu-Mg-S-Sn-Zn +mp-1028014,Mg14ZnSn,-1.75364247,-0.0240652097,0.0449167452,0.0449167452,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-Zn, expected Mg18ZnSn to be Mg14ZnSn" +mp-1027982,Mg14ZnSn,-1.7652907131000002,-0.0357134528,0.0332685021,0.0332685021,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-Zn, expected Mg26ZnSn to be Mg14ZnSn" +mp-1022611,Mg6ZnSn,-1.8949353094,-0.0360608388,0.0746479211,0.0746479211,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-Zn, expected Mg12ZnSn to be Mg6ZnSn" +mp-1022612,Mg6ZnSn,-1.8940431038,-0.0351686331,0.0755401267,0.0755401267,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-Zn, expected Mg12ZnSn to be Mg6ZnSn" +mp-1192520,CaAlCuSi2O9,-7.2024171336,-2.5437587878,0.1817065751,0.1817065751,GGA,C2/m,ABCD9E2_mC56_12_e_g_i_h2i3j_j:Al-Ca-Cu-O-Si,28.0,ABCD9E2_mC56_12_e_h_i_g2i3j_j:Al-Ca-Cu-O-Si +mp-1219115,SmAlCu4,-4.379448825,-0.2359507175,0.0141174172,0.0141174172,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Al-Cu-Sm,6.0,AB4C_hP6_187_a_ck_e:Al-Cu-Sm +mp-1219105,SmAl3Cu,-4.476520084,-0.465616025,0.0,-0.0605811678,GGA,I4mm,A3BC_tI10_107_ab_a_a:Al-Cu-Sm,5.0,A3BC_tI10_107_ab_a_a:Al-Cu-Sm +mp-16498,Sm(Al2Cu)4,-4.2461868123,-0.3169545465,0.0,-0.0228519772,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Sm,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Sm +mp-1219108,SmAlCu,-4.5379159133,-0.3501263683,0.0595965678,0.0229903508,GGA,Imma,ABC_oI12_74_a_c_e:Al-Cu-Sm,6.0,ABC_oI12_74_a_c_e:Al-Cu-Sm +mp-979972,SmAlCu,-4.5975124811,-0.4097229361,0.0,-0.0366062169,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Sm,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Sm +mp-1228395,Ba6Sm3Al(Cu2O5)4,-6.5345511739,-2.2939561355,0.0749925259,0.0749925259,GGA,P-1,AB6C8D20E3_aP38_2_b_3i_4i_10i_ci:Al-Ba-Cu-O-Sm,38.0,"Invalid WP multiplicities - AB6C8D20E3_aP38_2_b_5i_7i_19i_c2i:Al-Ba-Cu-O-Sm, expected Ba10Sm5Al(Cu7O19)2 to be Ba6Sm3Al(Cu2O5)4" +mp-1023295,NaMg6Al,-1.7662418562000002,0.0674808217,0.0912509492,0.0912509492,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Al-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Al-Mg-Na, expected NaMg12Al to be NaMg6Al" +mp-1023303,NaMg6Al,-1.7659085631,0.0678141148,0.0915842423,0.0915842423,GGA,Amm2,AB6C_oC16_38_a_abde_b:Al-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Al-Mg-Na, expected NaMg12Al to be NaMg6Al" +mp-1031510,NaMg6AlO8,-6.3071982562,-2.9169925617,0.1071893755,0.1071893755,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Al-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Al-Mg-Na-O, expected NaMg6AlO12 to be NaMg6AlO8" +mp-1031529,NaMg6AlO8,-6.2828542062,-2.8926485117,0.1315334255,0.1315334255,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Al-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Al-Mg-Na-O, expected NaMg6AlO12 to be NaMg6AlO8" +mp-976925,Na(Mg4Al3)4,-2.4877733562,-0.0093624578,0.0164484956,0.0164484956,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Na,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Na, expected Na(Mg13Al10)2 to be Na(Mg4Al3)4" +mp-1186062,Na(Mg4Al3)4,-2.4953563445,-0.0169454461,0.0088655074,0.0088655074,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Na,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a8b4c_a:Al-Mg-Na, expected NaMg49Al48 to be Na(Mg4Al3)4" +mp-1186061,Na(Mg4Al3)4,-2.4937783945,-0.0153674961,0.0104434574,0.0104434574,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Na,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c3g_a:Al-Mg-Na, expected Na(Mg4Al)12 to be Na(Mg4Al3)4" +mp-1028237,NaMg14Al,-1.6896007375000002,0.0274006265,0.0529046262,0.0529046262,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Al-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Al-Mg-Na, expected NaMg18Al to be NaMg14Al" +mp-1028218,NaMg14Al,-1.6861282606,0.0308731033,0.0563771031,0.0563771031,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Al-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Al-Mg-Na, expected NaMg26Al to be NaMg14Al" +mp-542563,NaMg3Al(MoO4)5,-7.8171033458,-2.3827378109,0.0065723925,0.0065723925,GGA+U,P-1,AB3C5DE20_aP60_2_i_3i_5i_i_20i:Al-Mg-Mo-Na-O,60.0,AB3C5DE20_aP60_2_i_3i_5i_i_20i:Al-Mg-Mo-Na-O +mp-1036532,NaMg14AlO16,-6.3318379891,-2.9999929515,0.0391181668,0.0391181668,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Al-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Al-Mg-Na-O, expected NaMg18AlO20 to be NaMg14AlO16" +mp-1036544,NaMg14AlO16,-6.3193988534,-2.9875538158,0.0515573024,0.0515573024,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Al-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Al-Mg-Na-O, expected NaMg30AlO32 to be NaMg14AlO16" +mp-1038206,NaMg30AlO32,-6.334888625,-3.0322239159,0.0143517929,0.0143517929,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Al-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Al-Mg-Na-O, expected NaMg90AlO80 to be NaMg30AlO32" +mp-1038199,NaMg30AlO32,-6.3301085417,-3.0274438326,0.0191318762,0.0191318762,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Al-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Al-Mg-Na-O, expected NaMg110AlO72 to be NaMg30AlO32" +mp-561398,NaAl(MoO4)2,-7.863790615,-2.3360480289,0.004785382,0.004785382,GGA+U,C2/c,AB2CD8_mC48_15_a_f_e_4f:Al-Mo-Na-O,24.0,"Invalid WP multiplicities - AB2CD8_mC48_15_c_f_e_14f:Al-Mo-Na-O, expected NaAl(MoO14)2 to be NaAl(MoO4)2" +mp-774889,Li4Fe2Co3Sn3O16,-6.7026177421,-1.8070312344,0.058183922,0.058183922,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Co-Fe-Li-O-Sn,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Sn +mp-793779,Li4Fe3Co3(SnO8)2,-6.7997179857,-1.7448297153,0.0516406939,0.0516406939,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-Sn, expected Li4Fe3Co3(SnO10)2 to be Li4Fe3Co3(SnO8)2" +mp-1225025,FeCoSn,-6.2459866733,0.2833169467,0.3556030389,0.3556030389,GGA,P-6m2,ABC_hP3_187_a_c_f:Co-Fe-Sn,3.0,ABC_hP3_187_a_c_f:Co-Fe-Sn +mp-1025124,FeCoSn,-6.41794863,0.11135499,0.1836410822,0.1836410822,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Co-Fe-Sn,6.0,ABC_hP6_194_c_a_d:Co-Fe-Sn +mp-1206855,FeCoSn,-6.2528789917,0.2764246283,0.3487107206,0.3487107206,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Co-Fe-Sn,6.0,ABC_hP6_194_a_c_d:Co-Fe-Sn +mp-775387,Li4Fe3Co2Sn3O16,-6.7259147557,-1.7816959832,0.111120164,0.111120164,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Fe-Li-O-Sn, expected Li4Fe3Co2Sn3O20 to be Li4Fe3Co2Sn3O16" +mp-1225052,FeCoSn4,-5.266025585,0.0034121525,0.0412725254,0.0412725254,GGA,I422,ABC4_tI12_97_a_b_j:Co-Fe-Sn,6.0,ABC4_tI12_97_a_b_j:Co-Fe-Sn +mp-1225200,FeCoSn2,-5.92956374,-0.0301930612,0.0253839742,0.0253839742,GGA,P2/m,ABC2_mP12_10_am_cdg_m2n:Co-Fe-Sn,12.0,"Invalid WP multiplicities - ABC2_mP12_10_am_cdg_m4n:Co-Fe-Sn, expected Fe3Co3Sn10 to be FeCoSn2" +mp-770951,Li4Mn3Ni3(TeO8)2,-6.7378056654,-1.8129564314,0.001312448,0.001312448,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-Te,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-Te, expected Li4Mn3Ni3(TeO10)2 to be Li4Mn3Ni3(TeO8)2" +mp-556292,Ba2Ni2ClF7,-5.6595079829,-3.1072485935,0.1050371078,0.1050371078,GGA+U,P2_1/m,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Ni,24.0,"Invalid WP multiplicities - A2BC7D2_mP24_11_4e_e_2e11f_4e:Ba-Cl-F-Ni, expected Ba4Ni4ClF24 to be Ba2Ni2ClF7" +mp-1096852,BaNiCl3,-4.450619523,-1.801675203,0.290261046,0.290261046,GGA,P6_3mc,AB3C_hP10_186_b_c_a:Ba-Cl-Ni,10.0,AB3C_hP10_194_c_h_a:Ba-Cl-Ni +mp-554990,Ba2MnNiClF7,-6.0997268033,-3.2656441963,0.0696869654,0.0696869654,GGA+U,P2_1/m,A2BC7DE_mP24_11_2e_e_e3f_e_e:Ba-Cl-F-Mn-Ni,24.0,"Invalid WP multiplicities - A2BC7DE_mP24_11_2e_e_2e10f_e_e:Ba-Cl-F-Mn-Ni, expected Ba2MnNiClF22 to be Ba2MnNiClF7" +mp-695571,Na5Ca6Nd5Zr16O48,-8.7979129406,-3.5892725515,0.0047562165,0.0047562165,GGA,Pm,A6B5C5D48E16_mP80_6_3c_a2c_a2bc_2a2b22c_8c:Ca-Na-Nd-O-Zr,80.0,"Invalid WP multiplicities - A6B5C5D48E16_mP80_6_4c_a2c_a2b2c_2a2b39c_16c:Ca-Na-Nd-O-Zr, expected Na5Ca8Nd7Zr32O82 to be Na5Ca6Nd5Zr16O48" +mp-1218719,Sr2Sm2TlNi2O9,-6.9300871525000005,-2.4763825222,0.0154245964,0.0154245964,GGA+U,Fmm2,A2B9C2D2E_oF64_42_c_a2ce_c_c_a:Ni-O-Sm-Sr-Tl,16.0,A2B9C2D2E_oF64_42_c_a2ce_c_c_a:Ni-O-Sm-Sr-Tl +mp-559046,Sm2MnTe5Cl2O13,-6.5874575008,-2.1387729966,0.0,-0.0378758562,GGA+U,P2_1/c,A2BC13D2E5_mP92_14_2e_e_13e_2e_5e:Cl-Mn-O-Sm-Te,92.0,"Invalid WP multiplicities - A2BC13D2E5_mP92_14_8e_e_50e_6e_19e:Cl-Mn-O-Sm-Te, expected Sm6MnTe19(Cl4O25)2 to be Sm2MnTe5Cl2O13" +mp-1523233,SrSmEuNbO6,-9.067512712,-3.4228608424,0.0102832511,0.0102832511,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Eu-Nb-O-Sm-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Eu-Nb-O-Sm-Sr, expected SrSmEuNbO12 to be SrSmEuNbO6" +mp-1523205,SrSmEuNbO6,-9.0176527878,-3.3730009182,0.0601431754,0.0601431754,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Eu-Nb-O-Sm-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Eu-Nb-O-Sm-Sr +mp-1523179,SrSmEuNbO6,-8.943175888,-3.2985240184,0.1346200751,0.1346200751,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nb-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nb-O-Sm-Sr +mp-1214673,Ba2La2TlCu2O9,-6.7112166963,-2.4117655101,0.0302009014,0.0302009014,GGA,I4/mmm,A2B2C2D9E_tI32_139_e_e_e_a2eg_b:Ba-Cu-La-O-Tl,16.0,A2B2C2D9E_tI32_139_e_e_e_a2eg_b:Ba-Cu-La-O-Tl +mp-1228434,Ba2LaTlCu2O7,-6.3472556192,-2.1963452769,0.0,-0.0001482381,GGA,Pmm2,A2B2CD7E_oP13_25_e_f_c_ae2f_b:Ba-Cu-La-O-Tl,13.0,"Invalid WP multiplicities - A2B2CD7E_oP13_25_e_f_c_a2e3f_b:Ba-Cu-La-O-Tl, expected Ba2LaTlCu2O11 to be Ba2LaTlCu2O7" +mp-1228600,Ba3La5Tl2(Cu2O9)2,-6.8745048866000005,-2.4807714453000003,0.0504815613,0.0504815613,GGA,Amm2,A3B4C5D18E2_oC64_38_2ab_2a2b_2a3b_5a5b2f_ab:Ba-Cu-La-O-Tl,32.0,A3B4C5D18E2_oC64_38_2ab_2a2b_2a3b_5a5b2f_ab:Ba-Cu-La-O-Tl +mp-1235020,Sr4LiSm2Ta2O12,-8.1006714481,-3.2825815079,0.1228458469,0.1228458469,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta +mp-1235143,Sr4LiSm2Ta2O12,-8.1162776105,-3.2981876702,0.1072396845,0.1072396845,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta +mp-1235687,Sr4LiSm2Ta2O12,-8.1103903829,-3.2923004426,0.1131269121,0.1131269121,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta +mp-1235894,Sr4LiSm2Ta2O12,-8.1033614186,-3.2852714783,0.1201558764,0.1201558764,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta +mp-1236383,Sr4LiSm2Ta2O12,-8.0972265681,-3.2791366279,0.1262907269,0.1262907269,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Sm-Sr-Ta +mp-1522126,NaNdHfNbO6,-8.792646904,-3.2097169977,0.1974301215,0.1974301215,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Hf-Na-Nb-Nd-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Hf-Na-Nb-Nd-O +mp-1519752,BaDySnSbO6,-7.0696721473,-2.635225433,0.1518552669,0.1518552669,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:Ba-Dy-O-Sb-Sn,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_f_2c2d:Ba-Dy-O-Sb-Sn, expected BaDySn2SbO12 to be BaDySnSbO6" +mp-1519646,BaDySnSbO6,-7.067035445,-2.6325887308,0.1544919691,0.1544919691,GGA,P-4n2,ABC6DE_tP20_118_c_a_ei_b_d:Ba-Dy-O-Sb-Sn,20.0,ABC6DE_tP20_118_c_a_ei_b_d:Ba-Dy-O-Sb-Sn +mp-1519551,BaDySnSbO6,-7.051847932,-2.6174012177,0.1696794821,0.1696794821,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Sb-Sn,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Sb-Sn +mp-1520421,BaEuDySbO6,-8.1174759798,-3.058286271,0.0258679647,0.0258679647,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Dy-Eu-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Dy-Eu-O-Sb, expected BaEu2DySbO12 to be BaEuDySbO6" +mp-1520401,BaEuDySbO6,-8.102674687,-3.0434849782,0.0406692575,0.0406692575,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-Sb +mp-1520042,SrEuInSbO6,-7.360284895,-2.5095536459,0.0573899358,0.0573899358,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-In-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-In-O-Sb-Sr +mp-1025467,Cu2SnHgS4,-4.1722425037,-0.5400593753,0.0,-0.0114645163,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Hg-S-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Hg-S-Sn +mp-2222841,MgCu2SnHgS4,-3.8935296278,-0.4871135081,0.2713138317,0.2713138317,GGA,I222,A2BCD4E_oI18_23_f_a_c_k_b:Cu-Hg-Mg-S-Sn,9.0,A2BCD4E_oI18_23_f_a_c_k_b:Cu-Hg-Mg-S-Sn +mp-2222784,MgCu2SnHgS4,-3.9563566633,-0.5499405436,0.2084867961,0.2084867961,GGA,Fmm2,A2BCD4E_oF36_42_b_a_a_cd_a:Cu-Hg-Mg-S-Sn,9.0,A2BCD4E_oF36_42_b_a_a_cd_a:Cu-Hg-Mg-S-Sn +mp-1097268,Mg2SnHg,-0.8997817775,0.9786713025,1.1565405019,1.1565405019,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Mg-Sn,4.0,AB2C_oI8_71_a_e_b:Hg-Mg-Sn +mp-1518058,NaLaZrCrO6,-8.338911181,-2.9249699044,0.1887774325,0.1887774325,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Cr-La-Na-O-Zr,,ABCD6E_cF40_216_a_c_d_f_b:Cr-La-Na-O-Zr +mp-554950,Hg3SbAsS3,-3.0759634022,-0.3123996096,0.0034996037,0.0034996037,GGA,P2_1/c,AB3C3D_mP32_14_e_3e_3e_e:As-Hg-S-Sb,32.0,"Invalid WP multiplicities - AB3C3D_mP32_14_e_9e_10e_e:As-Hg-S-Sb, expected Hg9SbAsS10 to be Hg3SbAsS3" +mp-6096,TlHg(AsS2)3,-4.21811291,-0.4488058256,0.0032015823,0.0032015823,GGA,P2_1/c,A3BC6D_mP44_14_3e_e_6e_e:As-Hg-S-Tl,44.0,"Invalid WP multiplicities - A3BC6D_mP44_14_5e_e_8e_e:As-Hg-S-Tl, expected TlHgAs5S8 to be TlHg(AsS2)3" +mp-555199,TlHgAsS3,-3.7541830438,-0.4650511242,0.0057912725,0.0057912725,GGA,Cmce,ABC3D_oC48_64_f_e_fg_f:As-Hg-S-Tl,24.0,"Invalid WP multiplicities - ABC3D_oC48_64_f_e_f2g_f:As-Hg-S-Tl, expected TlHgAsS5 to be TlHgAsS3" +mp-1191338,TlHgAsS3,-3.6656725087,-0.3765405892,0.0943018075,0.0943018075,GGA,I-42m,ABC3D_tI48_121_i_f_ij_de:As-Hg-S-Tl,24.0,ABC3D_tI48_121_i_f_ij_de:As-Hg-S-Tl +mp-553948,Tl4Hg3Sb2(As2S5)4,-4.2113045153,-0.4647758466,0.0106775936,0.0106775936,GGA,Aea2,A8B3C20D2E4_oC148_41_4b_ab_10b_b_2b:As-Hg-S-Sb-Tl,74.0,"Invalid WP multiplicities - A8B3C20D2E4_oC148_41_12b_ab_39b_b_6b:As-Hg-S-Sb-Tl, expected Tl12Hg3Sb2(As4S13)6 to be Tl4Hg3Sb2(As2S5)4" +mp-1517464,NaZrNbSnO6,-8.113099833,-2.7469763244000003,0.146572825,0.146572825,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sn-Zr +mp-1517753,BaSmEuMnO6,-8.390633007,-2.8169619635,0.1865505535,0.1865505535,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Mn-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Mn-O-Sm +mp-2230175,Sr4MgRe2NiO12,-7.4809042355,-2.5615187631,0.133520388,0.133520388,GGA+U,R-3m,ABC12D2E4_hR60_166_a_b_2h_c_2c:Mg-Ni-O-Re-Sr,20.0,"Invalid WP multiplicities - ABC12D2E4_hR60_166_a_b_2h_c_4c:Mg-Ni-O-Re-Sr, expected Sr8MgRe2NiO12 to be Sr4MgRe2NiO12" +mp-2218222,MgRe2NiO8,-7.7854317792,-1.7985167133000002,0.4049425642,0.4049425642,GGA+U,P3,ABC8D2_hP12_143_a_c_ab2d_ab:Mg-Ni-O-Re,12.0,"Invalid WP multiplicities - ABC8D2_hP12_143_a_c_ab3d_ab:Mg-Ni-O-Re, expected MgRe2NiO11 to be MgRe2NiO8" +mp-2218123,MgRe2NiO8,-7.7664022567,-1.7794871908,0.4239720867,0.4239720867,GGA+U,P-3m1,ABC8D2_hP12_164_a_b_di_d:Mg-Ni-O-Re,12.0,ABC8D2_hP12_164_a_b_di_d:Mg-Ni-O-Re +mp-32309,Sr4Re2NiO12,-7.7216363249,-2.6275610934,0.0106152538,0.0106152538,GGA+U,R-3m,AB12C2D4_hR57_166_a_2h_c_2c:Ni-O-Re-Sr,76.0,AB12C2D4_hR57_166_a_2h_c_2c:Ni-O-Re-Sr +mp-22353,Sr2ReNiO6,-7.46319951,-2.3348212061,0.1714463238,0.1714463238,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Ni-O-Re-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Ni-O-Re-Sr +mp-1078868,Sr2MgReO6,-7.582640667,-2.8722480261000003,0.0,-0.017043636,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Mg-O-Re-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Mg-O-Re-Sr +mp-11734,Sr2MgReO6,-7.578469782,-2.8680771411,0.004170885,-0.012872751,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mg-O-Re-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Mg-O-Re-Sr +mp-1197749,BaGd2Si3O10,-9.5568524997,-3.5684737108,0.0,-0.0026047195,GGA,P2_1/m,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Gd-O-Si,32.0,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Gd-O-Si +mp-1194728,Ba3NaGd3(Si3O10)2,-8.959291886799999,-3.4807010008,0.0,-0.0190596166,GGA,Ama2,A3B3CD20E6_oC132_40_bc_ac_b_4b8c_2b2c:Ba-Gd-Na-O-Si,66.0,A3B3CD20E6_oC132_40_bc_ac_b_4b8c_2b2c:Ba-Gd-Na-O-Si +mp-18515,NaGdSiO4,-9.0927221532,-3.2911906663,0.0,-0.0005296123,GGA,I4/m,ABC4D_tI56_87_h_h_2hi_h:Gd-Na-O-Si,28.0,ABC4D_tI56_87_h_h_2hi_h:Gd-Na-O-Si +mp-1202971,Ba2Gd2Si4O13,-9.1509698967,-3.5319975287,0.0,-0.0024993248,GGA,C2/c,A2B2C13D4_mC84_15_f_f_e6f_2f:Ba-Gd-O-Si,42.0,A2B2C13D4_mC84_15_f_f_e6f_2f:Ba-Gd-O-Si +mp-1017090,CsBaMg6,-1.3478563112,0.2041508903,0.259388979,0.259388979,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-Cs-Mg, expected CsBaMg12 to be CsBaMg6" +mp-1017215,CsBaMg6,-1.3059984875,0.246008714,0.3012468027,0.3012468027,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-Cs-Mg, expected CsBaMg12 to be CsBaMg6" +mp-2229562,CsBa2MgNb3O10,-7.8404254876,-2.7754587503,0.2880645479,0.2880645479,GGA,Pmm2,A2BCD3E10_oP17_25_f_d_c_ae_ab3ef:Ba-Cs-Mg-Nb-O,17.0,"Invalid WP multiplicities - A2BCD3E10_oP17_25_f_d_c_ae_ab6ef:Ba-Cs-Mg-Nb-O, expected CsBa2MgNb3O16 to be CsBa2MgNb3O10" +mp-2229490,CsBa2MgNb3O10,-7.9420259712,-2.8770592338,0.1864640643,0.1864640643,GGA,P4mm,A2BCD3E10_tP17_99_2a_a_a_3b_4b3c:Ba-Cs-Mg-Nb-O,17.0,"Invalid WP multiplicities - A2BCD3E10_tP17_99_2a_a_a_3b_4b4c:Ba-Cs-Mg-Nb-O, expected CsBa2MgNb3O12 to be CsBa2MgNb3O10" +mp-2229076,CsBa2MgNb3O10,-7.8511165171,-2.7861497797,0.2773735185,0.2773735185,GGA,P4/mmm,A2BCD3E10_tP17_123_g_a_b_dh_e2hi:Ba-Cs-Mg-Nb-O,17.0,"Invalid WP multiplicities - A2BCD3E10_tP17_123_g_a_b_dh_e4h2i:Ba-Cs-Mg-Nb-O, expected CsBa2MgNb3O18 to be CsBa2MgNb3O10" +mp-1026632,CsBaMg14,-1.4018693413,0.1742742845,0.2134466736,0.2134466736,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-Cs-Mg, expected CsBaMg18 to be CsBaMg14" +mp-1026635,CsBaMg14,-1.3867713725,0.1893722533,0.2285446423,0.2285446423,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-Cs-Mg, expected CsBaMg26 to be CsBaMg14" +mp-505814,CsBa2Nb3O10,-8.4138421819,-3.1323325266,0.0,-0.0086942142,GGA,P4/mmm,A2BC3D10_tP16_123_h_c_bg_e2gi:Ba-Cs-Nb-O,16.0,"Invalid WP multiplicities - A2BC3D10_tP16_123_h_c_bg_e4g2i:Ba-Cs-Nb-O, expected CsBa2Nb3O18 to be CsBa2Nb3O10" +mp-1519525,BaNaCeBiO6,-6.8570580498,-2.5875369712,0.0336474779,0.0336474779,GGA,Pnnn,ABCDE6_oP40_48_ab_e_f_cd_3m:Ba-Bi-Ce-Na-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_f_2c2d_6m:Ba-Bi-Ce-Na-O, expected BaNa2CeBiO12 to be BaNaCeBiO6" +mp-1519625,BaNaCeBiO6,-6.838577832,-2.5690567534,0.0521276956,0.0521276956,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ce-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ce-Na-O +mp-1233006,Rb2LiNb2(TeO6)2,-6.9517570774,-2.2296793188,0.0896350966,0.0896350966,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te +mp-1235064,Rb2LiNb2(TeO6)2,-6.9524202679,-2.2303425093,0.0889719061,0.0889719061,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te +mp-1235808,Rb2LiNb2(TeO6)2,-6.8844092474,-2.1623314888,0.1569829266,0.1569829266,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Li-Nb-O-Rb-Te +mp-1235125,Rb2LiNb2(TeO6)2,-6.9498984547,-2.2278206961,0.0914937193,0.0914937193,GGA,Cm,AB2C12D2E2_mC38_8_a_b_4a4b_2a_2a:Li-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_8_a_b_4a8b_2a_2a:Li-Nb-O-Rb-Te, expected Rb2LiNb2(TeO10)2 to be Rb2LiNb2(TeO6)2" +mp-1235548,Rb2LiNb2(TeO6)2,-6.9223400911,-2.2002623325,0.119052083,0.119052083,GGA,C2/m,AB2C12D2E2_mC38_12_b_e_2i2j_i_ac:Li-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_a_f_4i8j_i_bc:Li-Nb-O-Rb-Te, expected Rb2LiNb2(TeO20)2 to be Rb2LiNb2(TeO6)2" +mp-1236409,Rb2LiNb2(TeO6)2,-6.9270663784,-2.2049886198,0.1143257956,0.1143257956,GGA,C2/m,AB2C12D2E2_mC38_12_b_ac_2i2j_i_e:Li-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_b_ac_4i6j_i_f:Li-Nb-O-Rb-Te, expected Rb2LiNb2(TeO16)2 to be Rb2LiNb2(TeO6)2" +mp-1516623,BaSrCrSnO6,-7.213610786,-2.5184887874,0.1164851222,0.1164851222,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Cr-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Cr-O-Sn-Sr +mp-1517684,NaSrTbFeO6,-6.827246925,-2.2475930926,0.1332956334,0.1332956334,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Sr-Tb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Sr-Tb +mp-41331,CaGa2Cu3(SbO6)2,-6.2368432988,-1.8379593513,0.0798177445,0.0798177445,GGA,Pn-3,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Ga-O-Sb,40.0,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Ga-O-Sb +mp-1220100,NdSmFe4Co13,-7.2117538642,-0.0657038778,0.0037414758,0.0037414758,GGA,R3m,A13B4CD_hR57_160_a2bc_ab_a_a:Co-Fe-Nd-Sm,19.0,A13B4CD_hR57_160_a2bc_ab_a_a:Co-Fe-Nd-Sm +mp-1227053,CaMnSe2,-5.933227275,-1.3933677432,0.0324242725,0.0324242725,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Mn-Se,4.0,ABC2_hR12_166_a_b_c:Ca-Mn-Se +mp-1221959,MgTi2MnO6,-8.78297725,-3.1596360857,0.002916638,0.002916638,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Mg-Mn-O-Ti,20.0,ABC6D2_hR30_146_a_a_2b_2a:Mg-Mn-O-Ti +mp-2227189,MgTiMnO4,-8.38412232,-2.8920448623,0.0915148179,0.0915148179,GGA+U,Cm,ABC4D_mC14_8_a_a_4a_a:Mg-Mn-O-Ti,7.0,ABC4D_mC14_8_a_a_4a_a:Mg-Mn-O-Ti +mp-2226454,MgTiMnO4,-8.2478407557,-2.755763298,0.2277963821,0.2277963821,GGA+U,Imm2,ABC4D_oI14_44_a_b_2a2b_a:Mg-Mn-O-Ti,7.0,ABC4D_oI14_44_a_b_2a2b_a:Mg-Mn-O-Ti +mp-2227625,MgTiMnO4,-8.33055395,-2.8384764923,0.1450831879,0.1450831879,GGA+U,Imm2,ABC4D_oI14_44_a_a_2a2b_b:Mg-Mn-O-Ti,7.0,ABC4D_oI14_44_a_a_2a2b_b:Mg-Mn-O-Ti +mp-2231338,MgTi2Mn4O12,-8.4067575232,-2.4383580607,0.1104530583,0.1104530583,GGA+U,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mn-O-Ti,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mn-O-Ti +mp-2230788,MgTi2Mn4O12,-8.4046078479,-2.4362083854,0.1126027336,0.1126027336,GGA+U,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mn-O-Ti,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mn-O-Ti +mp-2217829,MgTi2Mn2O6,-8.5441486891,-2.5991098768,0.2759380538,0.2759380538,GGA+U,P1,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Mn-O-Ti,11.0,AB2C6D2_aP11_1_a_2a_6a_2a:Mg-Mn-O-Ti +mp-2217582,MgTi2Mn2O6,-8.58735759,-2.6423187777,0.2327291529,0.2327291529,GGA+U,P-1,AB2C6D2_aP11_2_a_i_3i_i:Mg-Mn-O-Ti,11.0,"Invalid WP multiplicities - AB2C6D2_aP11_2_a_i_6i_i:Mg-Mn-O-Ti, expected MgTi2Mn2O12 to be MgTi2Mn2O6" +mp-2217743,MgTi2Mn2O6,-8.6478594191,-2.7028206068,0.1722273238,0.1722273238,GGA+U,C2/m,AB2C6D2_mC22_12_a_i_3i_i:Mg-Mn-O-Ti,11.0,"Invalid WP multiplicities - AB2C6D2_aP11_2_a_i_6i_i:Mg-Mn-O-Ti, expected MgTi2Mn2O12 to be MgTi2Mn2O6" +mp-2217926,MgTi2Mn2O6,-8.4366689236,-2.4916301114,0.3834178193,0.3834178193,GGA+U,C2/m,AB2C6D2_mC22_12_a_i_3i_i:Mg-Mn-O-Ti,11.0,"Invalid WP multiplicities - AB2C6D2_mC22_12_a_i_6i_i:Mg-Mn-O-Ti, expected MgTi2Mn2O12 to be MgTi2Mn2O6" +mp-2217863,MgTi2Mn2O6,-8.61424181,-2.6692029977,0.2058449329,0.2058449329,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Ti,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Ti +mp-2217287,MgTi2Mn2O6,-8.5794344255,-2.6343956132,0.2406523175,0.2406523175,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Ti,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Ti +mp-2217666,MgTi2Mn2O6,-8.6372537782,-2.6922149659,0.1828329647,0.1828329647,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Ti,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Ti +mp-1031871,Mg6TiMnO8,-6.9244696856,-2.7849261045,0.1781517353,0.1781517353,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Ti, expected Mg6TiMnO12 to be Mg6TiMnO8" +mp-1031861,Mg6TiMnO8,-6.9482264138000005,-2.8086828326,0.1543950072,0.1543950072,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Ti, expected Mg6TiMnO12 to be Mg6TiMnO8" +mp-1038173,Mg30TiMnO32,-6.4721785119,-2.9821793311,0.0491203534,0.0491203534,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Ti, expected Mg90TiMnO80 to be Mg30TiMnO32" +mp-1038112,Mg30TiMnO32,-6.4739457786,-2.9839465978,0.0473530866,0.0473530866,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Ti, expected Mg110TiMnO72 to be Mg30TiMnO32" +mp-1233996,Sm4MgTi2Mn2O12,-8.5722305886,-3.1460446961,0.2469225203,0.2469225203,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti +mp-1234559,Sm4MgTi2Mn2O12,-8.5602192614,-3.1340333689,0.2589338475,0.2589338475,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti +mp-2220990,Sm4MgTi2Mn2O12,-8.5913589143,-3.1651730218,0.2277941946,0.2277941946,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti +mp-2220656,Sm4MgTi2Mn2O12,-8.5737590376,-3.1475731451,0.2453940713,0.2453940713,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti +mp-2220543,Sm4MgTi2Mn2O12,-8.5004229529,-3.0742370604,0.3187301561,0.3187301561,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Mg-Mn-O-Sm-Ti +mp-1036193,Mg14TiMnO16,-6.6260057434,-2.9194917625,0.089067307,0.089067307,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Ti, expected Mg18TiMnO20 to be Mg14TiMnO16" +mp-1036209,Mg14TiMnO16,-6.6261844216,-2.9196704407,0.0888886289,0.0888886289,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Ti, expected Mg30TiMnO32 to be Mg14TiMnO16" +mp-2233736,MgTiMn3O8,-8.2932072231,-2.4043358667,0.0931700977,0.0931700977,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mn-O-Ti,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mn-O-Ti +mp-2218854,MgTiMn3O8,-8.29971459,-2.4108432336,0.0866627308,0.0866627308,GGA+U,Cm,AB3C8D_mC26_8_a_ab_4a2b_a:Mg-Mn-O-Ti,13.0,AB3C8D_mC26_8_a_ab_4a2b_a:Mg-Mn-O-Ti +mp-2219119,MgTiMn3O8,-8.2398443823,-2.3509730259,0.1465329385,0.1465329385,GGA+U,C2/m,AB3C8D_mC26_12_b_af_2ij_c:Mg-Mn-O-Ti,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_a_b2f_3i3j_c:Mg-Mn-O-Ti, expected MgTiMn5O18 to be MgTiMn3O8" +mp-2219292,MgTiMn3O8,-8.2885288662,-2.3996575098,0.0978484546,0.0978484546,GGA+U,C2/m,AB3C8D_mC26_12_b_ce_2ij_a:Mg-Mn-O-Ti,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_b_ce_3i3j_a:Mg-Mn-O-Ti, expected MgTiMn3O18 to be MgTiMn3O8" +mp-2219057,MgTiMn3O8,-8.2479124638,-2.3590411075,0.1384648569,0.1384648569,GGA+U,C2/m,AB3C8D_mC26_12_c_ae_2ij_b:Mg-Mn-O-Ti,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_c_bf_4i2j_a:Mg-Mn-O-Ti, expected MgTiMn3O16 to be MgTiMn3O8" +mp-2219538,MgTiMn3O8,-8.2671221377,-2.3782507813,0.1192551831,0.1192551831,GGA+U,C2/m,AB3C8D_mC26_12_c_be_2ij_a:Mg-Mn-O-Ti,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_c_be_4i3j_a:Mg-Mn-O-Ti, expected MgTiMn3O20 to be MgTiMn3O8" +mp-686726,LaTiAlPbO6,-8.189294519,-3.1923090901,0.0502566319,0.0502566319,GGA,Pmma,ABC6DE_oP40_51_2e_2f_ac4f3i_2f_2e:Al-La-O-Pb-Ti,40.0,"Invalid WP multiplicities - ABC6DE_oP40_51_4e_4f_ac6f6i_3f_4e:Al-La-O-Pb-Ti, expected La4Ti4Al4Pb3O20 to be LaTiAlPbO6" +mp-1222721,LaTiAlPbO6,-8.182038302,-3.1850528731,0.0575128489,0.0575128489,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Al-La-O-Pb-Ti,10.0,ABC6DE_cF40_216_a_c_f_d_b:Al-La-O-Pb-Ti +mp-1218316,SrLaTiFeO6,-8.261090671,-2.9939760657,0.209374822,0.209374822,GGA+U,Fmm2,ABC6DE_oF40_42_a_a_bcd_a_a:Fe-La-O-Sr-Ti,10.0,ABC6DE_oF40_42_a_a_bcd_a_a:Fe-La-O-Sr-Ti +mp-1218147,SrLaTiFeO6,-8.426108239,-3.1589936337,0.044357254,0.044357254,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-La-O-Sr-Ti,20.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-La-O-Sr-Ti +mp-1193463,Mn4SiTeBr2O7,-7.6251248367,-2.095153988,0.0,-0.0444163516,GGA+U,P2_1/m,A2B4C7DE_mP30_11_2e_2ef_3e2f_e_e:Br-Mn-O-Si-Te,30.0,"Invalid WP multiplicities - A2B4C7DE_mP30_11_2e_2e2f_3e2f_e_e:Br-Mn-O-Si-Te, expected Mn6SiTeBr2O7 to be Mn4SiTeBr2O7" +mp-865959,LiHo2Ru,-5.39011423,-0.3030784433,0.0,-0.0251847093,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Li-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Li-Ru +mp-1235690,Ba2LiHoRuO6,-7.0934471245,-2.6131001769,0.136310715,0.136310715,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Ho-Li-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_e2l_b:Ba-Ho-Li-O-Ru, expected Ba2LiHoRuO10 to be Ba2LiHoRuO6" +mp-1235614,Ba2LiHoRuO6,-7.0356534164,-2.5553064687,0.1941044232,0.1941044232,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ho-Li-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Ho-Li-O-Ru, expected Ba2LiHoRuO12 to be Ba2LiHoRuO6" +mp-1235673,Ba2LiHoRuO6,-7.0902784945,-2.6099315469,0.139479345,0.139479345,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ho-Li-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Ho-Li-O-Ru, expected Ba2LiHoRuO15 to be Ba2LiHoRuO6" +mp-572512,Cs2LaTa6(Br5O)3,-6.2220989802,-1.9254705093,0.0,-0.0100463573,GGA,P-31c,A15B2CD3E6_hP54_163_h2i_f_c_h_i:Br-Cs-La-O-Ta,54.0,"Invalid WP multiplicities - A15B2CD3E6_hP54_163_5h16i_f_c_h_i:Br-Cs-La-O-Ta, expected Cs2LaTa6(Br37O)3 to be Cs2LaTa6(Br5O)3" +mp-1213395,CsLa(TaBr3)6,-5.6140347594,-1.578166098,0.0,-0.0028015768,GGA,P-31c,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-La-Ta,52.0,A18BCD6_hP52_163_3i_c_d_i:Br-Cs-La-Ta +mp-1227090,Ca8(DySe4)3,-5.3073277326,-2.1848887199,0.024055147,0.024055147,GGA,P-4m2,A8B3C12_tP23_115_ef2g_cg_abef3g:Ca-Dy-Se,23.0,"Invalid WP multiplicities - A8B3C12_tP23_115_2e2f3g_c2g_ab2e2f5g:Ca-Dy-Se, expected Ca14(DySe4)5 to be Ca8(DySe4)3" +mp-1522311,NaCaDySeO6,-6.508632141,-2.3975365651,0.1847033831,0.1847033831,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Na-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Na-O-Se +mp-1228968,Ba4Ge2Pb(S4Br)2,-5.0282571765,-1.6851831685,0.0021268305,0.0021268305,GGA,Pmn2_1,A4B2C2DE8_oP34_31_2b_2a_2a_a_4a2b:Ba-Br-Ge-Pb-S,34.0,"Invalid WP multiplicities - A4B2C2DE8_oP34_31_6b_3a_3a_a_6a6b:Ba-Br-Ge-Pb-S, expected Ba12Ge3Pb(S6Br)3 to be Ba4Ge2Pb(S4Br)2" +mp-27501,Cs2ThCl6,-4.8288661156,-2.5737680095,0.0,-0.0972846994,GGA,P-3m1,A6B2C_hP9_164_i_d_a:Cl-Cs-Th,9.0,A6B2C_hP9_164_i_d_a:Cl-Cs-Th +mp-1200592,CsThMo2ClO8,-8.0782238742,-2.5841771671,0.0039614357,0.0039614357,GGA+U,P2_1/c,ABC2D8E_mP52_14_e_e_2e_8e_e:Cl-Cs-Mo-O-Th,52.0,ABC2D8E_mP52_14_e_e_2e_8e_e:Cl-Cs-Mo-O-Th +mp-2220368,Ba2HoMgRuO6,-6.9170503018,-2.464761792,0.4285477055,0.4285477055,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Ho-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a3b_a:Ba-Ho-Mg-O-Ru, expected Ba2HoMgRuO8 to be Ba2HoMgRuO6" +mp-2215906,Ba2HoMgRuO6,-6.9769487436,-2.5246602339,0.3686492636,0.3686492636,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Ho-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_e2l_b:Ba-Ho-Mg-O-Ru, expected Ba2HoMgRuO10 to be Ba2HoMgRuO6" +mp-2215793,Ba2HoMgRuO6,-6.9171049700000005,-2.4648164602,0.4284930373,0.4284930373,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ho-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a3b_a:Ba-Ho-Mg-O-Ru, expected Ba2HoMgRuO8 to be Ba2HoMgRuO6" +mp-2215955,Ba2HoMgRuO6,-6.9804296464,-2.5281411366,0.3651683609,0.3651683609,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ho-Mg-O-Ru,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Ho-Mg-O-Ru, expected Ba2HoMgRuO15 to be Ba2HoMgRuO6" +mp-1212321,Ho4MgRu,-5.11951516,-0.252128815,0.0,-0.0025123396,GGA,F-43m,A4BC_cF96_216_efg_e_e:Ho-Mg-Ru,24.0,A4BC_cF96_216_efg_e_e:Ho-Mg-Ru +mp-1184690,Ho2MgRu,-5.223970555,-0.2140954725,0.0698370865,0.0698370865,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Mg-Ru,4.0,A2BC_cF16_225_c_a_b:Ho-Mg-Ru +mp-1518253,SrEuHfSnO6,-8.736081262,-3.1767424214,0.0367650059,0.0367650059,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Hf-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Hf-O-Sn-Sr +mp-1228355,Ba4SnGe2(S4Br)2,-5.0340932897,-1.6735531179,0.0025403557,0.0025403557,GGA,Pmn2_1,A4B2C2D8E_oP34_31_2b_2a_2a_4a2b_a:Ba-Br-Ge-S-Sn,34.0,"Invalid WP multiplicities - A4B2C2D8E_oP34_31_6b_3a_3a_6a6b_a:Ba-Br-Ge-S-Sn, expected Ba12SnGe3(S6Br)3 to be Ba4SnGe2(S4Br)2" +mp-1518278,SrNdHfMnO6,-8.723015039,-3.1973172915,0.1916614165,0.1916614165,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Hf-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Hf-Mn-Nd-O-Sr +mp-1214181,Ca2Nd3Si3O13,-8.2222347324,-3.5127799993,0.0086435747,0.0086435747,GGA,P6_3/m,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-Nd-O-Si,42.0,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-Nd-O-Si +mp-22292,EuCuSb,-6.944835555,-0.7830989850000001,0.0,-0.0963413412,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Eu-Sb,6.0,ABC_hP6_194_c_a_d:Cu-Eu-Sb +mp-505769,Eu(CuSb)2,-5.869723135,-0.5270396110000001,0.0,-0.0377964962,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Cu-Eu-Sb,10.0,A2BC2_tP10_129_ac_c_bc:Cu-Eu-Sb +mp-694913,CaTa2Ga2(CuO4)3,-7.6334591751,-2.4616975886,0.0,-0.0436325516,GGA,P-1,AB3C2D12E2_aP80_2_2i_6i_abdh2i_24i_cefg2i:Ca-Cu-Ga-O-Ta,80.0,"Invalid WP multiplicities - AB3C2D12E2_aP80_2_3i_11i_abdh3i_47i_cefg3i:Ca-Cu-Ga-O-Ta, expected Ca3Ta5Ga5Cu11O47 to be CaTa2Ga2(CuO4)3" +mp-1226431,Cu2Bi8Pb3Se3S13,-4.5920586969,-0.6499259282000001,0.0093791116,0.0093791116,GGA,Cm,A8B2C3D13E3_mC58_8_8a_2a_3a_13a_3a:Bi-Cu-Pb-S-Se,29.0,A8B2C3D13E3_mC58_8_8a_2a_3a_13a_3a:Bi-Cu-Pb-S-Se +mp-1210898,Rb2NbCuS2,-4.5728351238,-0.500421859,0.5242517127,0.5242517127,GGA,Fddd,ABC2D2_oF96_70_c_d_h_h:Cu-Nb-Rb-S,24.0,ABC2D2_oF96_70_c_d_h_h:Cu-Nb-Rb-S +mp-2229309,Rb4MgNb2(CuS4)2,-5.0856107124,-1.1435496126,0.1924776503,0.1924776503,GGA,P1,A2BC2D4E8_aP17_1_2a_a_2a_4a_8a:Cu-Mg-Nb-Rb-S,17.0,A2BC2D4E8_aP17_1_2a_a_2a_4a_8a:Cu-Mg-Nb-Rb-S +mp-2229574,Rb4MgNb2(CuS4)2,-5.1026035765,-1.1605424768,0.1754847861,0.1754847861,GGA,C2,A2BC2D4E8_mC34_5_ab_a_ab_2a2b_4c:Cu-Mg-Nb-Rb-S,17.0,"Invalid WP multiplicities - A2BC2D4E8_mC34_5_ab_a_ab_2a2b_6c:Cu-Mg-Nb-Rb-S, expected Rb4MgNb2(CuS6)2 to be Rb4MgNb2(CuS4)2" +mp-672161,Rb2NbCuS4,-5.3930609431,-1.3046385278,0.01198648,-0.0313225617,GGA,P1,ABC2D4_aP16_1_2a_2a_4a_8a:Cu-Nb-Rb-S,16.0,"Invalid WP multiplicities - ABC2D4_oF64_43_a_a_b_6b:Cu-Nb-Rb-S, expected Rb2NbCuS12 to be Rb2NbCuS4" +mp-15221,Rb2NbCuS4,-5.4050474231,-1.3166250078,0.0,-0.0433090417,GGA,Fddd,ABC2D4_oF64_70_a_b_e_h:Cu-Nb-Rb-S,16.0,ABC2D4_oF64_70_a_b_e_h:Cu-Nb-Rb-S +mp-2232093,Sm2MgMo2(ClO4)2,-7.6948853353,-2.6282629653000003,0.1370433852,0.1370433852,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Sm,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Sm, expected Sm2MgMo2(ClO7)2 to be Sm2MgMo2(ClO4)2" +mp-2232253,Sm2MgMo2(ClO4)2,-7.7091835607,-2.6425611907,0.1227451598,0.1227451598,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Sm,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Sm, expected Sm2MgMo2(ClO7)2 to be Sm2MgMo2(ClO4)2" +mp-558997,SmMoClO4,-7.9961952864,-2.6819770364,0.0,-0.0441281941,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Sm,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_4i2j_i:Cl-Mo-O-Sm, expected SmMoClO8 to be SmMoClO4" +mp-2228596,Ba2GdMgCu3O7,-6.7782329443,-2.0326048615,0.3143891261,0.3143891261,GGA,Pmm2,A2B3CDE7_oP14_25_e_bf_c_a_be2f:Ba-Cu-Gd-Mg-O,14.0,A2B3CDE7_oP14_25_e_bf_c_a_be2f:Ba-Cu-Gd-Mg-O +mp-1219637,RbNaCa2Nb4O13,-8.3247878538,-3.0378148761,0.0437168392,0.0437168392,GGA,P4/mmm,A2BC4D13E_tP21_123_g_a_2h_c2h2i_b:Ca-Na-Nb-O-Rb,21.0,A2BC4D13E_tP21_123_g_a_2h_c2h2i_b:Ca-Na-Nb-O-Rb +mp-20396,RbCa2Nb3O10,-8.4050753706,-3.1074168666,0.0476299758,0.0476299758,GGA,P4/mmm,A2B3C10D_tP16_123_h_bg_e2gi_c:Ca-Nb-O-Rb,16.0,A2B3C10D_tP16_123_h_bg_e2gi_c:Ca-Nb-O-Rb +mp-1222281,LiSmSe2,-5.23765145,-1.8328184608,0.0615888163,0.0561651584,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Li-Se-Sm,4.0,AB2C_tP4_123_a_bc_d:Li-Se-Sm +mp-35388,LiSmSe2,-5.2992402662,-1.894407277,0.0,-0.0054236578,GGA,I4_1/amd,AB2C_tI16_141_a_e_b:Li-Se-Sm,8.0,AB2C_tI16_141_a_e_b:Li-Se-Sm +mp-1520922,PrEuMnNbO6,-9.385252599,-2.9871165835,0.1710714015,0.1710714015,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Nb-O-Pr +mp-1520732,SrCaGdBiO6,-7.957099495,-2.8279157979,0.0,-0.0246995495,GGA,P-1,ABCD6E_aP20_2_ah_i_be_6i_i:Bi-Ca-Gd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_ah_i_be_12i_i:Bi-Ca-Gd-O-Sr, expected SrCaGdBiO12 to be SrCaGdBiO6" +mp-1520703,SrCaGdBiO6,-7.8866418952,-2.7574581982,0.0704575997,0.0457580503,GGA,P222,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Gd-O-Sr,40.0,ABCD6E_oP40_16_u_abch_u_6u_defg:Bi-Ca-Gd-O-Sr +mp-1520915,SrCaGdBiO6,-7.876440094,-2.7472563969,0.080659401,0.0559598515,GGA,Cccm,ABCD6E_oC40_66_e_a_f_k2l_b:Bi-Ca-Gd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_oC40_66_e_a_f_k3l_b:Bi-Ca-Gd-O-Sr, expected SrCaGdBiO8 to be SrCaGdBiO6" +mp-1520906,SrCaGdBiO6,-7.773083716,-2.6439000189,0.184015779,0.1593162295,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Gd-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Gd-O-Sr +mp-1227748,BaSr3Lu2(BiO6)2,-7.0360241205,-2.8824941637,0.0085907501,0.0085907501,GGA,P1,AB2C2D12E3_aP20_1_a_2a_2a_12a_3a:Ba-Bi-Lu-O-Sr,20.0,AB2C2D12E3_aP20_1_a_2a_2a_12a_3a:Ba-Bi-Lu-O-Sr +mp-1228201,Ba4Sr2Lu3(BiO6)3,-7.0421831377,-2.8695297237,0.0099075065,0.0099075065,GGA,Cm,A4B3C3D18E2_mC60_8_4a_3a_3a_6a6b_2a:Ba-Bi-Lu-O-Sr,30.0,"Invalid WP multiplicities - A4B3C3D18E2_mC60_8_4a_3a_3a_6a12b_2a:Ba-Bi-Lu-O-Sr, expected Ba4Sr2Lu3(BiO10)3 to be Ba4Sr2Lu3(BiO6)3" +mp-23100,Sr2LuBiO6,-7.0401294065,-2.8980735241,0.0,-0.0591940622,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Lu-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Lu-O-Sr +mp-1227532,BaSrLuBiO6,-7.0369631895,-2.8719591584,0.0121371452,0.0121371452,GGA,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ba-Bi-Lu-O-Sr,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ba-Bi-Lu-O-Sr +mp-1228053,Ba3SrLu2(BiO6)2,-7.031235739,-2.8547576336,0.0223500599,0.0223500599,GGA,P-4m2,A3B2C2D12E_tP20_115_abc_g_g_2gl_d:Ba-Bi-Lu-O-Sr,20.0,"Invalid WP multiplicities - A3B2C2D12E_tP20_115_abc_g_g_4g2l_d:Ba-Bi-Lu-O-Sr, expected Ba3SrLu2(BiO12)2 to be Ba3SrLu2(BiO6)2" +mp-1521701,BaCaPrSbO6,-7.130980119,-2.8795187107,0.1420707345,0.1420707345,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Pr-Sb +mp-1517193,BaCaPrSbO6,-7.128854257,-2.8773928488,0.1441965965,0.1441965965,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Pr-Sb +mp-1040852,LaCrSnO6,-7.6527167722,-2.2884102503,0.2682159775,0.2682159775,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Sn,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-Sn +mp-1517157,CaLaCrSnO6,-7.37266976,-2.3442339022,0.5992675931,0.5992675931,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ca-Cr-La-O-Sn,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ca-Cr-La-O-Sn +mp-1520370,CaLaCrSnO6,-7.796264878,-2.7678290202,0.1756724751,0.1756724751,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-La-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Cr-La-O-Sn +mp-1521441,SrLaCrSnO6,-7.804246231,-2.8074210159,0.110626815,0.110626815,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Cr-La-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Cr-La-O-Sn-Sr +mp-1520296,NaSrDyMnO6,-7.039370146,-2.3932748314,0.1436952583,0.1436952583,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Mn-Na-O-Sr +mp-1518143,SrTbEuFeO6,-8.191316289,-2.7182148059,0.1863302774,0.1863302774,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Tb +mp-1520420,SrPrMgBiO6,-6.738609036,-2.5794789704000003,0.1432989645,0.1432989645,GGA,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Bi-Mg-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Bi-Mg-O-Pr-Sr +mp-1228959,CsPr2Ti2NbO10,-8.7694205594,-3.4058961801,0.0361978623,0.0361978623,GGA,Cm,ABC10D2E2_mC32_8_a_a_4a3b_2a_2a:Cs-Nb-O-Pr-Ti,16.0,ABC10D2E2_mC32_8_a_a_4a3b_2a_2a:Cs-Nb-O-Pr-Ti +mp-20989,BaGdFe2O5,-8.9430986222,-2.5354782715,0.0264603395,0.0264603395,GGA+U,P4/mmm,AB2CD5_tP9_123_a_h_b_ci:Ba-Fe-Gd-O,9.0,AB2CD5_tP9_123_a_h_b_ci:Ba-Fe-Gd-O +mp-1518724,BaGdCrFeO6,-11.53416078,-5.1543309672,0.0,-2.439717237,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-Fe-Gd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-Fe-Gd-O +mp-1215063,Ba6Gd2Fe4O15,-8.1772740074,-2.7051810582,0.0,-0.0276379549,GGA+U,P2/c,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Fe-Gd-O,54.0,A6B4C2D15_mP54_13_ef2g_2g_g_e7g:Ba-Fe-Gd-O +mp-1225404,Gd(CrFe5)2,-8.6706630923,0.4126006985,0.4305326585,0.4305326585,GGA,Immm,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Gd,13.0,A2B10C_oI26_71_e_fghk_a:Cr-Fe-Gd +mp-1193020,BaGdFe4O7,-8.6988069615,-2.1986528847,0.0310447797,0.0310447797,GGA+U,Cmc2_1,AB4CD7_oC52_36_a_2ab_a_3a2b:Ba-Fe-Gd-O,26.0,"Invalid WP multiplicities - AB4CD7_oC52_36_a_3a2b_a_5a4b:Ba-Fe-Gd-O, expected BaGdFe7O13 to be BaGdFe4O7" +mp-552051,Ca2CoTeO6,-6.7523075425,-2.3580119709,0.0,-0.0074352972,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Co-O-Te,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Co-O-Te +mp-1369415,Ca3Co2(TeO6)2,-6.5292384332,-2.0092220357,0.1354558428,0.1354558428,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-Te,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-Te +mp-1046609,Ca4Co5(TeO6)3,-6.7017939388,-1.9673171729,0.0800074502,0.0800074502,GGA+U,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Ca-Co-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Ca-Co-O-Te, expected Ca12Co9(TeO14)5 to be Ca4Co5(TeO6)3" +mp-562004,CaCo2Te3(ClO4)2,-6.0568979387,-1.7492269287000002,0.0,-0.020069914,GGA+U,P2_1/c,AB2C2D8E3_mP64_14_e_2e_2e_8e_3e:Ca-Cl-Co-O-Te,64.0,"Invalid WP multiplicities - AB2C2D8E3_mP64_14_e_4e_5e_32e_9e:Ca-Cl-Co-O-Te, expected CaCo5Te9(ClO8)4 to be CaCo2Te3(ClO4)2" +mp-1362071,Ca3Ga2(FeO5)2,-6.9313306456,-2.3148646916,0.0834761311,0.0834761311,GGA+U,Pc,A3B2C2D10_mP34_7_3a_2a_2a_10a:Ca-Fe-Ga-O,34.0,"Invalid WP multiplicities - A3B2C2D10_mP34_7_6a_4a_2a_19a:Ca-Fe-Ga-O, expected Ca6Ga2Fe4O19 to be Ca3Ga2(FeO5)2" +mp-1227153,CaLaGa3O7,-7.0661055242,-2.8450458549,0.0021500916,0.0021500916,GGA,Cmm2,AB3CD7_oC48_35_d_cde_e_abde2f:Ca-Ga-La-O,24.0,"Invalid WP multiplicities - AB3CD7_oC48_35_d_c2d2e_e_ab2d2e7f:Ca-Ga-La-O, expected CaLaGa5O19 to be CaLaGa3O7" +mp-648069,Ca2GaFeO5,-7.0871820183,-2.6157641796,0.013989655,0.013989655,GGA+U,Pnma,A2BCD5_oP36_62_d_a_c_c2d:Ca-Fe-Ga-O,36.0,"Invalid WP multiplicities - A2BCD5_oP36_62_d_a_c_3c10d:Ca-Fe-Ga-O, expected Ca2GaFeO23 to be Ca2GaFeO5" +mp-1228210,Ca4Ga3FeO10,-6.8681584642,-2.6990698025,0.0171124103,0.0171124103,GGA+U,P2_1/c,A4BC3D10_mP36_14_2e_a_de_5e:Ca-Fe-Ga-O,36.0,"Invalid WP multiplicities - A4BC3D10_mP36_14_4e_a_de_9e:Ca-Fe-Ga-O, expected Ca8Ga3FeO18 to be Ca4Ga3FeO10" +mp-559969,CaLaGaO4,-7.47564827,-3.2247257196,0.0,-0.0259208474,GGA,Pnma,ABCD4_oP28_62_a_c_c_2cd:Ca-Ga-La-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_a_c_c_6c5d:Ca-Ga-La-O, expected CaLaGaO16 to be CaLaGaO4" +mp-1227061,CaLaGaO4,-7.3706210029,-3.1196984525,0.1050272671,0.0791064198,GGA,I4mm,ABCD4_tI14_107_a_a_a_2ab:Ca-Ga-La-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Ca-Ga-La-O +mp-1096364,CaLaGa2,-1.6525133525,1.596936405,2.137227541,2.137227541,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Ga-La,4.0,AB2C_oI8_71_a_e_b:Ca-Ga-La +mp-1227683,Ca2LaGa(FeO4)2,-7.5659133761,-2.6738523048,0.0378157567,0.0378157567,GGA+U,Pm,A2B2CDE8_mP28_6_2c_2ac_c_2b_2a2b6c:Ca-Fe-Ga-La-O,28.0,A2B2CDE8_mP28_6_2c_2ac_c_2b_2a2b6c:Ca-Fe-Ga-La-O +mp-1233458,CaLa4Ga2(FeO6)2,-7.8168709924,-2.859436359,0.1825584479,0.1825584479,GGA+U,P1,AB2C2D4E12_aP21_1_a_2a_2a_4a_12a:Ca-Fe-Ga-La-O,21.0,AB2C2D4E12_aP21_1_a_2a_2a_4a_12a:Ca-Fe-Ga-La-O +mp-1517386,BaSrCrBiO6,-7.020388125,-2.3421743989,0.1199427207,0.1199427207,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Cr-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Cr-O-Sr +mp-1220505,NbZn(PbO3)2,-6.796345516,-1.9496980102,0.1599786788,0.1599786788,GGA,R3m,AB6C2D_hR30_160_a_2b_2a_a:Nb-O-Pb-Zn,10.0,"Invalid WP multiplicities - AB6C2D_hR30_160_a_6b_2a_a:Nb-O-Pb-Zn, expected NbZn(PbO9)2 to be NbZn(PbO3)2" +mp-684723,TiNb2Zn(PbO3)4,-7.537308086999999,-2.3588731609,0.0525875743,0.0525875743,GGA,P1,A2B12C4DE_aP20_1_2a_12a_4a_a_a:Nb-O-Pb-Ti-Zn,20.0,A2B12C4DE_aP20_1_2a_12a_4a_a_a:Nb-O-Pb-Ti-Zn +mp-684721,TiNb2Zn(PbO3)4,-7.531094021,-2.3526590949,0.0588016403,0.0588016403,GGA,Cm,A2B12C4DE_mC40_8_2a_4a4b_4a_a_a:Nb-O-Pb-Ti-Zn,20.0,"Invalid WP multiplicities - A2B12C4DE_mC40_8_2a_4a8b_4a_a_a:Nb-O-Pb-Ti-Zn, expected TiNb2Zn(PbO5)4 to be TiNb2Zn(PbO3)4" +mp-1173489,Nb2Zn(PbO3)3,-7.4053426213,-2.2639764012,0.0408535251,0.0408535251,GGA,P1,A2B9C3D_aP15_1_2a_9a_3a_a:Nb-O-Pb-Zn,15.0,A2B9C3D_aP15_1_2a_9a_3a_a:Nb-O-Pb-Zn +mp-768415,Na4Li3(FeO4)2,-5.6041596841,-1.6317819262,0.0917101603,0.0917101603,GGA+U,Pc,A2B3C4D8_mP34_7_2a_3a_4a_8a:Fe-Li-Na-O,34.0,A2B3C4D8_mP34_7_4a_6a_8a_16a:Fe-Li-Na-O +mp-768443,Na8Li9(FeO4)4,-5.5827180841,-1.7776474795,0.0428121627,0.0428121627,GGA+U,P1,A4B9C8D16_aP37_1_4a_9a_8a_16a:Fe-Li-Na-O,37.0,A4B9C8D16_aP37_1_4a_9a_8a_16a:Fe-Li-Na-O +mp-25323,Na2Li2FeO4,-5.5941253456,-1.7363839705,0.0535488486,0.0535488486,GGA+U,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:Fe-Li-Na-O,36.0,"Invalid WP multiplicities - AB2C2D4_mP36_14_e_5e_6e_14e:Fe-Li-Na-O, expected Na6Li5FeO14 to be Na2Li2FeO4" +mp-510742,Na2LiFeO4,-5.6239143137,-1.5225706252,0.1234614776,0.1234614776,GGA+U,Pnnm,ABC2D4_oP32_58_g_g_eg_2gh:Fe-Li-Na-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_58_g_g_3e2g_6g3h:Fe-Li-Na-O, expected Na5LiFeO12 to be Na2LiFeO4" +mp-540965,Na2Li3FeO4,-5.5630158672,-1.9001563431,0.0,-0.0106849459,GGA+U,Pnnm,AB3C2D4_oP40_58_g_gh_eg_2gh:Fe-Li-Na-O,40.0,AB3C2D4_oP40_58_g_gh_eg_2gh:Fe-Li-Na-O +mp-695511,Na2CaTi2(GeO4)3,-7.4085582222,-2.7250090922,0.0,-0.0052647657,GGA,I4_1/acd,AB3C2D12E2_tI160_142_b_ae_e_3g_c:Ca-Ge-Na-O-Ti,80.0,"Invalid WP multiplicities - AB3C2D12E2_tI160_142_b_4a5e_e_36g_c:Ca-Ge-Na-O-Ti, expected Na2CaTi2(Ge7O72)2 to be Na2CaTi2(GeO4)3" +mp-2232234,MgMn4(FeO4)2,-8.1522312293,-1.8347716741,0.221569662,0.221569662,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Fe-Mg-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Fe-Mg-Mn-O +mp-2232414,MgMn4(FeO4)2,-8.1439831027,-1.8265235474,0.2298177887,0.2298177887,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Fe-Mg-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Fe-Mg-Mn-O +mp-2232114,MgMn4(FeO4)2,-8.197921922,-1.8804623668,0.1758789693,0.1758789693,GGA+U,P-1,A2BC4D8_aP15_2_ab_d_cei_4i:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_ab_d_cei_7i:Fe-Mg-Mn-O, expected MgMn4(FeO7)2 to be MgMn4(FeO4)2" +mp-2232171,MgMn4(FeO4)2,-8.2144900513,-1.8970304961,0.15931084,0.15931084,GGA+U,P-1,A2BC4D8_aP15_2_ac_d_bei_4i:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_ac_d_bei_7i:Fe-Mg-Mn-O, expected MgMn4(FeO7)2 to be MgMn4(FeO4)2" +mp-2232103,MgMn4(FeO4)2,-8.1870741613,-1.8696146061,0.18672673,0.18672673,GGA+U,C2/m,A2BC4D8_mC30_12_i_b_ace_2ij:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_i_d_2abe_6i:Fe-Mg-Mn-O, expected MgMn4(FeO6)2 to be MgMn4(FeO4)2" +mp-2232429,MgMn4(FeO4)2,-7.8253163707,-1.5078568154,0.5484845207,0.5484845207,GGA+U,I-4m2,A2BC4D8_tI30_119_ac_b_i_2i:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_tI30_119_ac_b_i_6i:Fe-Mg-Mn-O, expected MgMn4(FeO12)2 to be MgMn4(FeO4)2" +mp-1037923,Mg30MnFeO32,-6.4663324355,-2.9673562361,0.0040218006,0.0040218006,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Fe-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Fe-Mg-Mn-O, expected Mg110MnFeO72 to be Mg30MnFeO32" +mp-1037922,Mg30MnFeO32,-6.4655080073,-2.9665318079,0.0048462288,0.0048462288,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Fe-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Fe-Mg-Mn-O, expected Mg90MnFeO80 to be Mg30MnFeO32" +mp-2219938,MgMn2(FeO4)2,-7.6359782285,-1.7561426328,0.2344997755,0.2344997755,GGA+U,P2,A2BC2D8_mP13_3_ab_a_cd_4e:Fe-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_mP13_3_ad_a_bc_8e:Fe-Mg-Mn-O, expected MgMn2(FeO8)2 to be MgMn2(FeO4)2" +mp-2218999,MgMn2(FeO4)2,-7.6664851915,-1.7866495958000002,0.2039928124,0.2039928124,GGA+U,P2,A2BC2D8_mP13_3_cd_a_ab_4e:Fe-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_mP13_3_bc_a_ad_8e:Fe-Mg-Mn-O, expected MgMn2(FeO8)2 to be MgMn2(FeO4)2" +mp-2226706,La4MgMnO8,-7.8623009714,-2.856598582,0.6315871777000001,0.6315871777000001,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_b_ghn:La-Mg-Mn-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_g2h_a_b_2ghn:La-Mg-Mn-O, expected La6MgMnO10 to be La4MgMnO8" +mp-2228445,La4MgMnO8,-8.3666056779,-3.3609032884,0.1272824713,0.1272824713,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_c_ghn:La-Mg-Mn-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_2gh_a_c_g2hn:La-Mg-Mn-O, expected La6MgMnO10 to be La4MgMnO8" +mp-2227403,La4MgMnO8,-7.8856366864,-2.879934297,0.6082514627,0.6082514627,GGA+U,Cmmm,A4BCD8_oC28_65_gh_a_d_ghn:La-Mg-Mn-O,14.0,"Invalid WP multiplicities - A4BCD8_oC28_65_2gh_a_d_g2hn:La-Mg-Mn-O, expected La6MgMnO10 to be La4MgMnO8" +mp-1043996,LaMgMnFeO6,-7.923853012,-2.5390074195,0.1492859621,0.1492859621,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Fe-La-Mg-Mn-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Fe-La-Mg-Mn-O, expected LaMgMnFeO10 to be LaMgMnFeO6" +mp-2230762,MgMn5FeO12,-7.9502145316,-1.8849175708,0.0880030266,0.0880030266,GGA+U,P1,ABC5D12_aP19_1_a_a_5a_12a:Fe-Mg-Mn-O,19.0,ABC5D12_aP19_1_a_a_5a_12a:Fe-Mg-Mn-O +mp-2230001,MgMn5FeO12,-7.9576336989,-1.8923367381,0.0805838592,0.0805838592,GGA+U,P1,ABC5D12_aP19_1_a_a_5a_12a:Fe-Mg-Mn-O,19.0,ABC5D12_aP19_1_a_a_5a_12a:Fe-Mg-Mn-O +mp-2230727,MgMn5FeO12,-7.9506673189,-1.8853703581,0.0875502392,0.0875502392,GGA+U,Cm,ABC5D12_mC38_8_a_a_a2b_4a4b:Fe-Mg-Mn-O,19.0,"Invalid WP multiplicities - ABC5D12_mC38_8_a_a_a3b_4a7b:Fe-Mg-Mn-O, expected MgMn7FeO18 to be MgMn5FeO12" +mp-1032839,Mg6MnFeO8,-6.8112003738,-2.635748718,0.0876425306,0.0876425306,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Fe-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Fe-Mg-Mn-O, expected Mg6MnFeO12 to be Mg6MnFeO8" +mp-1032862,Mg6MnFeO8,-6.8043778725,-2.6289262167,0.0944650319,0.0944650319,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Fe-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Fe-Mg-Mn-O, expected Mg6MnFeO12 to be Mg6MnFeO8" +mp-19406,La2MgMnO6,-8.222515743,-3.191071561,0.0333571381,0.0333571381,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:La-Mg-Mn-O,40.0,A2BCD6_hR30_148_c_a_b_f:La-Mg-Mn-O +mp-2222907,LaMgMnO3,-7.1224645317,-2.0327364349,0.9312759711,0.9312759711,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:La-Mg-Mn-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_a_b_d_c2e:La-Mg-Mn-O, expected LaMgMnO5 to be LaMgMnO3" +mp-2233886,MgMn3FeO8,-7.8176419831,-1.8845760734,0.1650718138,0.1650718138,GGA+U,Cm,ABC3D8_mC26_8_a_a_ab_4a2b:Fe-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_8_a_a_a2b_4a4b:Fe-Mg-Mn-O, expected MgMn5FeO12 to be MgMn3FeO8" +mp-2218663,MgMn3FeO8,-7.8891282962,-1.9560623864,0.0935855007,0.0935855007,GGA+U,C2/m,ABC3D8_mC26_12_a_b_ce_2ij:Fe-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_a_ce_4ij:Fe-Mg-Mn-O, expected MgMn3FeO12 to be MgMn3FeO8" +mp-2233791,MgMn3FeO8,-7.4480697238,-1.5150038141,0.5346440731000001,0.5346440731000001,GGA+U,R3m,ABC3D8_hR39_160_a_a_b_2a2b:Fe-Mg-Mn-O,13.0,ABC3D8_hR39_160_a_a_b_2a2b:Fe-Mg-Mn-O +mp-2218630,MgMn3FeO8,-7.77050947,-1.8374435603,0.2122043269,0.2122043269,GGA+U,R-3m,ABC3D8_hR39_166_a_b_d_ch:Fe-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_hR39_166_a_b_d_2ch:Fe-Mg-Mn-O, expected MgMn3FeO10 to be MgMn3FeO8" +mp-1036237,Mg14MnFeO16,-6.60283881,-2.8783707918,0.0103449822,0.0103449822,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Fe-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Fe-Mg-Mn-O, expected Mg18MnFeO20 to be Mg14MnFeO16" +mp-1036194,Mg14MnFeO16,-6.5738348197,-2.8493668015,0.0393489725,0.0393489725,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Fe-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Fe-Mg-Mn-O, expected Mg30MnFeO32 to be Mg14MnFeO16" +mp-1223268,La5Mg2Mn3O15,-8.333588884,-3.1509099972,0.0865905706,0.0865905706,GGA+U,P-1,A5B2C3D15_aP50_2_5i_2i_ad2i_15i:La-Mg-Mn-O,50.0,"Invalid WP multiplicities - A5B2C3D15_aP50_2_10i_3i_ad4i_30i:La-Mg-Mn-O, expected La10Mg3Mn5O30 to be La5Mg2Mn3O15" +mp-2230332,MgMn4(FeO6)2,-7.8605974958,-1.8317212761,0.1008271514,0.1008271514,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Fe-Mg-Mn-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Fe-Mg-Mn-O +mp-2230040,MgMn4(FeO6)2,-7.8639972916,-1.8351210719,0.0974273556,0.0974273556,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Fe-Mg-Mn-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Fe-Mg-Mn-O +mp-2228453,MgMn4FeO8,-8.1292092064,-1.9655040551,0.1775111236,0.1775111236,GGA+U,P1,ABC4D8_aP14_1_a_a_4a_8a:Fe-Mg-Mn-O,14.0,ABC4D8_aP14_1_a_a_4a_8a:Fe-Mg-Mn-O +mp-2228489,MgMn4FeO8,-8.1327465486,-1.9690413973,0.1739737814,0.1739737814,GGA+U,P-1,ABC4D8_aP14_2_a_e_bcdg_4i:Fe-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_aP14_2_a_e_bcdg_7i:Fe-Mg-Mn-O, expected MgMn4FeO14 to be MgMn4FeO8" +mp-2228508,MgMn4FeO8,-8.0847291821,-1.9210240308,0.2219911479,0.2219911479,GGA+U,Cm,ABC4D8_mC28_8_a_a_2ab_4a2b:Fe-Mg-Mn-O,14.0,ABC4D8_mC28_8_a_a_2ab_4a2b:Fe-Mg-Mn-O +mp-2226478,MgMn4FeO8,-8.1526784357,-1.9889732844,0.1540418943,0.1540418943,GGA+U,C2/m,ABC4D8_mC28_12_a_d_bce_2ij:Fe-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_12_c_a_bde_3i2j:Fe-Mg-Mn-O, expected MgMn4FeO14 to be MgMn4FeO8" +mp-2224717,MgMn2(FeO2)4,-7.9826499587,-1.7574562811,0.1663991633,0.1663991633,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:Fe-Mg-Mn-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:Fe-Mg-Mn-O +mp-2232226,MgMn2(FeO2)4,-7.9351259427,-1.7099322651,0.2139231793,0.2139231793,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:Fe-Mg-Mn-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:Fe-Mg-Mn-O +mp-2232141,MgMn2(FeO2)4,-7.982693,-1.7574993224000002,0.166356122,0.166356122,GGA+U,P-1,A4BC2D8_aP15_2_abce_d_i_4i:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A4BC2D8_aP15_2_abce_d_i_8i:Fe-Mg-Mn-O, expected MgMn2(FeO4)4 to be MgMn2(FeO2)4" +mp-2232369,MgMn2(FeO2)4,-7.9614602953,-1.7362666177,0.1875888267,0.1875888267,GGA+U,Cm,A4BC2D8_mC30_8_2ab_a_2a_4a2b:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_8_2ab_a_2a_4a4b:Fe-Mg-Mn-O, expected MgMn2(FeO3)4 to be MgMn2(FeO2)4" +mp-2232176,MgMn2(FeO2)4,-7.744478744,-1.5192850664000002,0.404570378,0.404570378,GGA+U,Cm,A4BC2D8_mC30_8_2ab_a_2a_4a2b:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_8_2a2b_a_2a_4a3b:Fe-Mg-Mn-O, expected MgMn2(Fe3O5)2 to be MgMn2(FeO2)4" +mp-2232209,MgMn2(FeO2)4,-7.6607763473,-1.4355826697,0.4882727747,0.4882727747,GGA+U,Imm2,A4BC2D8_oI30_44_abc_a_d_2c2d:Fe-Mg-Mn-O,15.0,"Invalid WP multiplicities - A4BC2D8_oI30_44_abc_a_d_3c3d:Fe-Mg-Mn-O, expected MgMn2(FeO3)4 to be MgMn2(FeO2)4" +mp-757881,Co3Cu3(TeO8)2,-6.0280060483,-1.0673308583,0.0559210211,0.0559210211,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Cu-O-Te,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Cu-O-Te +mp-765052,Li4Co3Cu3(TeO8)2,-6.03160894,-1.5068983676,0.025415688,0.025415688,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cu-Li-O-Te,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cu-Li-O-Te +mp-1226159,CoCu2TeO6,-6.0126707152,-1.1996537857,0.0506641865,0.0506641865,GGA+U,I2_12_12_1,AB2C6D_oI80_24_ab_ab2c_6d_d:Co-Cu-O-Te,40.0,AB2C6D_oI80_24_ab_ab2c_6d_d:Co-Cu-O-Te +mp-1226601,Co3Cu3(TeO6)2,-6.226305892,-1.2628334062,0.0313925548,0.0313925548,GGA+U,I2_13,A3B3C12D2_cI80_199_b_b_2c_a:Co-Cu-O-Te,40.0,A3B3C12D2_cI80_199_b_b_2c_a:Co-Cu-O-Te +mp-1020860,Rb2MgSi5O12,-7.6328754436,-3.1304652996,0.0,-0.0320824518,GGA,Pbca,AB12C2D5_oP160_61_c_12c_2c_5c:Mg-O-Rb-Si,160.0,AB12C2D5_oP160_61_c_12c_2c_5c:Mg-O-Rb-Si +mp-1080284,Rb2MgSi5O12,-7.6162621175,-3.1138519735,0.0166133261,-0.0154691257,GGA,Pbca,AB12C2D5_oP160_61_c_12c_2c_5c:Mg-O-Rb-Si,160.0,AB12C2D5_oP160_61_c_12c_2c_5c:Mg-O-Rb-Si +mp-1026719,RbMg14Si,-1.6568766919,0.1437341083,0.1843643406,0.1843643406,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Si, expected RbMg18Si to be RbMg14Si" +mp-1026708,RbMg14Si,-1.6254509331,0.175159867,0.2157900993,0.2157900993,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Si, expected RbMg26Si to be RbMg14Si" +mp-677813,Rb4CuSi2O7,-4.4121316543,-0.5907887972,1.8067072171,1.8023164905,GGA,P-1,AB7C4D2_aP14_2_a_b3i_2i_i:Cu-O-Rb-Si,14.0,"Invalid WP multiplicities - AB7C4D2_aP14_2_a_b4i_2i_i:Cu-O-Rb-Si, expected Rb4CuSi2O9 to be Rb4CuSi2O7" +mp-557618,Rb4CuSi2O7,-6.2188388714,-2.3974960144,0.0,-0.0043907267,GGA,P-1,AB7C4D2_aP14_2_b_e3i_2i_i:Cu-O-Rb-Si,14.0,"Invalid WP multiplicities - AB7C4D2_aP14_2_b_e4i_2i_i:Cu-O-Rb-Si, expected Rb4CuSi2O9 to be Rb4CuSi2O7" +mp-2232098,Rb4MgCuSi2O7,-5.9352625873,-2.2619905841,0.2529889124,0.2529889124,GGA,P1,ABC7D4E2_aP15_1_a_a_7a_4a_2a:Cu-Mg-O-Rb-Si,15.0,ABC7D4E2_aP15_1_a_a_7a_4a_2a:Cu-Mg-O-Rb-Si +mp-1034675,RbMg14SiO16,-6.0938672481,-2.7202174924,0.2798630795,0.2798630795,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Rb-Si,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Rb-Si, expected RbMg18SiO20 to be RbMg14SiO16" +mp-1034699,RbMg14SiO16,-6.0632403784,-2.6895906227,0.3104899492,0.3104899492,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Rb-Si,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Rb-Si, expected RbMg30SiO32 to be RbMg14SiO16" +mp-1039945,RbMg30SiO32,-6.2293522213,-2.9057851531,0.1212752826,0.1212752826,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Rb-Si,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Rb-Si, expected RbMg90SiO80 to be RbMg30SiO32" +mp-1039943,RbMg30SiO32,-6.2142280725,-2.8906610043,0.1363994313,0.1363994313,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Rb-Si,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Rb-Si, expected RbMg110SiO72 to be RbMg30SiO32" +mp-1098280,RbMg6Si,-1.7615331762,0.2394083741,0.2986765472,0.2986765472,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Si,8.0,A6BC_oC16_38_abde_a_b:Mg-Rb-Si +mp-14885,Rb2Cu2Si8O19,-7.6241847577,-2.8645360081,0.0,-0.0007604037,GGA,P2_1/m,A2B19C2D8_mP62_11_f_a4e7f_2e_4f:Cu-O-Rb-Si,62.0,A2B19C2D8_mP62_11_f_a4e7f_2e_4f:Cu-O-Rb-Si +mp-1030853,RbMg6SiO8,-5.8373918681,-2.3635767373,0.5825441071,0.5825441071,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Rb-Si,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Rb-Si, expected RbMg6SiO12 to be RbMg6SiO8" +mp-1030873,RbMg6SiO8,-5.7436657825,-2.2698506517,0.6762701928,0.6762701928,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Rb-Si,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Rb-Si, expected RbMg6SiO12 to be RbMg6SiO8" +mp-1048103,Ba2Mn3AlO8,-7.673158005,-2.3415093424,0.2801956095,0.2801956095,GGA+U,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Mn-O, expected Ba2Mn5AlO16 to be Ba2Mn3AlO8" +mp-1048458,BaMn4AlO7,-8.2048022846,-2.2863843679,0.1875577349,0.1875577349,GGA+U,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Mn-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Mn-O +mp-1042474,BaMnAlCuO5,-6.9331672844,-2.0821432524,0.3959608638,0.3959608638,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Mn-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Mn-O +mp-1045744,Mn4Al(CuO4)3,-7.1375950235,-1.5350189463,0.2509310293,0.2509310293,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Mn-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Al-Cu-Mn-O +mp-1048319,Ba2Mn3AlO7,-7.6342055677,-2.2729446012,0.3517541366,0.3517541366,GGA+U,Pmmm,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Mn-O,13.0,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Mn-O +mp-1181279,IrPt(NCl)5,-4.825274396,0.6609527227,1.1759744191,1.1759744191,GGA,Pnma,A5BC5D_oP48_62_3cd_c_c2d_c:Cl-Ir-N-Pt,48.0,A5BC5D_oP48_62_3cd_c_c2d_c:Cl-Ir-N-Pt +mp-1212764,IrPtBr4N5Cl,-4.4329328258,0.9547915162,1.3929299419,1.3929299419,GGA,Pnma,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Ir-N-Pt,48.0,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Ir-N-Pt +mp-1181058,Ir2Pt(NCl)10,-4.647425373,0.8133710413,1.2957671713,1.2957671713,GGA,C2/m,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Pt,23.0,A10B2C10D_mC46_12_g4i_i_i2j_a:Cl-Ir-N-Pt +mp-17034,BaLiCoF6,-5.5253270786,-3.0358727001,0.0400998675,0.0400998675,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Ba-Co-F-Li,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_13e_e:Ba-Co-F-Li, expected BaLiCoF13 to be BaLiCoF6" +mp-694942,BaNa5LiCo5F18,-5.4210839132,-2.7414594244,0.0585831877,0.0585831877,GGA+U,P1,AB5C18DE5_aP60_1_2a_10a_36a_2a_10a:Ba-Co-F-Li-Na,60.0,AB5C18DE5_aP60_1_2a_10a_36a_2a_10a:Ba-Co-F-Li-Na +mp-21932,Na3Li3Co2F12,-5.0663632804,-2.7239268964,0.0008153346,0.0008153346,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Co-F-Li-Na,80.0,A2B12C3D3_cI160_230_a_h_d_c:Co-F-Li-Na +mp-1111550,NaLi2CoF6,-4.879132873,-2.5073766103,0.2376375155,0.2376375155,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-F-Li-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Co-F-Li-Na +mp-680300,Mo3N2Cl11,-5.5277952895,-1.1813050745,0.0111560252,0.0111560252,GGA,Pca2_1,A11B3C2_oP64_29_11a_3a_2a:Cl-Mo-N,64.0,"Invalid WP multiplicities - A11B3C2_oP64_29_42a_9a_6a:Cl-Mo-N, expected Mo3(NCl7)2 to be Mo3N2Cl11" +mp-1194088,Mo2(NCl3)3,-4.4482483414,0.0758670111,1.1146182802,1.1146182802,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Cl-Mo-N,28.0,A9B2C3_hP28_194_hk_f_bf:Cl-Mo-N +mp-23396,MoNCl3,-6.041199402,-1.095648399,0.0,-0.0031396062,GGA,P-1,A3BC_aP20_2_6i_2i_2i:Cl-Mo-N,20.0,A3BC_aP20_2_6i_2i_2i:Cl-Mo-N +mp-8804,Li6MoN4,-5.9184239795,-0.8597724332000001,0.0,-0.1745620459,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:Li-Mo-N,22.0,A6BC4_tP22_137_df_a_g:Li-Mo-N +mp-1245805,Li7MoN4,-5.4969407909,-0.7007666345,0.0873580959,0.0873580959,GGA,Pa-3,A7BC4_cP96_205_c2d_c_cd:Li-Mo-N,96.0,A7BC4_cP96_205_c2d_c_cd:Li-Mo-N +mp-542135,Mo2NCl7,-5.5322550287,-1.2354998523,0.0,-0.0257323687,GGA,P-1,A7B2C_aP40_2_14i_4i_2i:Cl-Mo-N,40.0,A7B2C_aP40_2_14i_4i_2i:Cl-Mo-N +mp-1211056,LiMoN2,-8.02856862,-0.6716779133,0.0,-0.0359409596,GGA,R3m,ABC2_hR12_160_a_a_2a:Li-Mo-N,4.0,ABC2_hR12_160_a_a_2a:Li-Mo-N +mp-1245736,Li3MoN2,-6.023030751,-0.4821293244,0.305995406,0.305995406,GGA,Ia-3,A3BC2_cI96_206_e_c_ad:Li-Mo-N,48.0,A3BC2_cI96_206_e_c_ad:Li-Mo-N +mp-6011,Ba4LiMo2N7,-7.3876061266,-0.9853498893,0.0,-0.0427079846,GGA,P2/c,A4BC2D7_mP56_13_ef3g_g_2g_af6g:Ba-Li-Mo-N,56.0,A4BC2D7_mP56_13_ef3g_g_2g_af6g:Ba-Li-Mo-N +mp-1205766,Mo(NCl3)2,-4.1157596256,0.17422481,1.1497050048,1.1497050048,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Mo-N,9.0,A6BC2_cF36_225_e_a_c:Cl-Mo-N +mp-680309,Mo2NCl8,-5.2881810775,-1.2139912207,0.0086231561,0.0086231561,GGA,P2/c,A8B2C_mP44_13_ef7g_2g_g:Cl-Mo-N,44.0,"Invalid WP multiplicities - A8B2C_mP44_13_2e2f25g_5g_g:Cl-Mo-N, expected Mo5NCl27 to be Mo2NCl8" +mp-1228175,Ba5LiMo2N7Cl2,-6.9707793382,-1.3679772452,0.0,-0.0327058222,GGA,P2_1/m,A5B2CD2E7_mP34_11_5e_2e_e_2e_3e2f:Ba-Cl-Li-Mo-N,34.0,A5B2CD2E7_mP34_11_5e_2e_e_2e_3e2f:Ba-Cl-Li-Mo-N +mp-725147,Mo(NCl2)3,-4.019346938,0.6752885465,1.5532207218,1.5532207218,GGA,P4_2/m,A6BC3_tP20_84_jk_c_aj:Cl-Mo-N,20.0,A6BC3_tP20_84_jk_c_aj:Cl-Mo-N +mp-867214,Er2IrRu,-7.4983862725,-0.6863176875,0.0,-0.0052887313,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Ir-Ru,4.0,A2BC_cF16_225_c_a_b:Er-Ir-Ru +mp-1228390,Ba3ErIrRuO9,-7.465554859,-2.6017096089,0.0,-0.0161909251,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_a_b_3c_b:Ba-Er-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_a_b_5c_b:Ba-Er-Ir-O-Ru, expected Ba5ErIrRuO15 to be Ba3ErIrRuO9" +mp-1519833,CaEuDyNiO6,-7.731872165,-2.4989064183,0.2130825024,0.2130825024,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Dy-Eu-Ni-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Dy-Eu-Ni-O +mp-6676,Sr2HoRuO6,-7.5614507115,-2.8698576531,0.0,-0.0225963956,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ho-O-Ru-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Ho-O-Ru-Sr +mp-867283,Ho2CuRu,-5.999195125,-0.3645883875,0.0,-0.0319901008,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Ru +mp-1218811,Sr2HoCu2RuO8,-6.906793875,-2.2633852074,0.0560648561,0.0560648561,GGA,Amm2,A2BC8DE2_oC28_38_c_b_cdf_a_c:Cu-Ho-O-Ru-Sr,14.0,A2BC8DE2_tP14_123_g_c_egi_b_h:Cu-Ho-O-Ru-Sr +mp-999489,NaGdSe2,-7.5390493675,-1.9414317453,0.0,-0.1238347541,GGA,R-3m,ABC2_hR12_166_a_b_c:Gd-Na-Se,4.0,ABC2_hR12_166_a_b_c:Gd-Na-Se +mp-1208751,Sr2TmBiO6,-7.025976853,-2.8884324803,0.0,-0.0579088067,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Bi-O-Sr-Tm,20.0,AB6C2D_mP20_14_a_3e_e_b:Bi-O-Sr-Tm +mp-1208757,Sr2TmCu2(BiO4)2,-6.3941349533,-2.1736200453,0.1198007034,0.1198007034,GGA,I4/mmm,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Tm,15.0,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Tm +mp-1232143,LaMgSe3,-4.841762803,-1.4369584854,0.40255269,0.40255269,GGA,C2/m,ABC3_mC20_12_i_g_ij:La-Mg-Se,10.0,ABC3_mC20_12_i_g_ij:La-Mg-Se +mp-1232043,La2MgSe4,-5.4603487218,-1.8237858403,0.2541129866,0.2541129866,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:La-Mg-Se,28.0,A2BC4_aP28_2_4i_2i_8i:La-Mg-Se +mp-1232039,La2MgSe4,-5.6632172496,-2.0266543681,0.0512444588,0.0512444588,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:La-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:La-Mg-Se +mp-1232040,La2MgSe4,-5.6044766932,-1.9679138117,0.1099850152,0.1099850152,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:La-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:La-Mg-Se +mp-1232041,La2MgSe4,-5.6657004118,-2.0291375303,0.0487612966,0.0487612966,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:La-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:La-Mg-Se +mp-1232037,La2MgSe4,-5.6399872386,-2.0034243571,0.0744744698,0.0744744698,GGA,I-42d,A2BC4_tI28_122_d_a_e:La-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:La-Mg-Se +mp-1232054,La2MgSe4,-5.6260515479,-1.9894886663,0.0884101605,0.0884101605,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:La-Mg-Se,14.0,A2BC4_cF56_227_c_b_e:La-Mg-Se +mp-1521570,SrZrNbInO6,-8.271359838,-2.9943283259,0.1324364107,0.1324364107,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:In-Nb-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:In-Nb-O-Sr-Zr +mp-1095821,Ti2CrCo,-4.95573765,3.1823496746,3.4287384797,3.4287384797,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cr-Ti,4.0,ABC2_oI8_71_a_b_e:Co-Cr-Ti +mp-770505,Li4Ti3Cr2Co3O16,-7.7724656732,-2.376028701,0.0774135169,0.0774135169,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Co-Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Co-Cr-Li-O-Ti, expected Li4Ti3Cr2Co3O20 to be Li4Ti3Cr2Co3O16" +mp-770043,Li4Ti2Cr3Co3O16,-7.6628236132,-2.2036168034,0.1040815692,0.1040815692,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cr-Li-O-Ti,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cr-Li-O-Ti +mp-754733,Li4Ti2Cr3Co3O16,-7.7049679175,-2.2457611077,0.0619372649,0.0619372649,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-Ti, expected Li4Ti2Cr3Co3O20 to be Li4Ti2Cr3Co3O16" +mp-769725,Li4Ti3Cr3(CoO8)2,-7.9394421275,-2.4521219526,0.0979718505,0.0979718505,GGA+U,P1,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cr-Li-O-Ti,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cr-Li-O-Ti +mp-756278,Li4Ti3Cr3(CoO8)2,-7.9474358696,-2.4601156948,0.0899781084,0.0899781084,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Cr-Li-O-Ti,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Cr-Li-O-Ti, expected Li4Ti3Cr3(CoO10)2 to be Li4Ti3Cr3(CoO8)2" +mp-1173257,Sr2Nd2MnCuO8,-7.5190767593,-2.822647229,0.0240429807,0.0240429807,GGA+U,P-1,ABC2D8E2_aP28_2_i_i_2i_bc7i_2i:Cu-Mn-Nd-O-Sr,28.0,"Invalid WP multiplicities - ABC2D8E2_aP28_2_i_i_4i_bc13i_3i:Cu-Mn-Nd-O-Sr, expected Sr3Nd4MnCuO14 to be Sr2Nd2MnCuO8" +mp-1218751,Sr2Nd2MnCuO8,-7.4777567414,-2.7813272112,0.0653629985,0.0653629985,GGA+U,P4/mmm,ABC2D8E2_tP14_123_a_d_h_efgh_g:Cu-Mn-Nd-O-Sr,14.0,"Invalid WP multiplicities - ABC2D8E2_tP14_123_a_d_h_2e2fg2h_g:Cu-Mn-Nd-O-Sr, expected Sr2Nd2MnCuO14 to be Sr2Nd2MnCuO8" +mp-1026753,BaLaMg14,-1.7649253644,0.0637560572,0.1336780723,0.1336780723,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-La-Mg, expected BaLaMg18 to be BaLaMg14" +mp-1026766,BaLaMg14,-1.77266566,0.0560157616,0.1259377767,0.1259377767,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-La-Mg, expected BaLaMg26 to be BaLaMg14" +mp-1017487,BaLaMg6,-1.9695727625,0.0875100306,0.190501319,0.190501319,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-La-Mg, expected BaLaMg12 to be BaLaMg6" +mp-1021159,BaLaMg6,-2.0743720975,-0.0172893044,0.085701984,0.085701984,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-La-Mg,8.0,ABC6_oC16_38_a_b_abde:Ba-La-Mg +mp-2217982,Ba2LaMgSbO6,-6.8024068891,-2.7857368398,0.1985502091,0.1985502091,GGA,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-La-Mg-O-Sb,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-La-Mg-O-Sb +mp-2217548,Ba2LaMgSbO6,-6.8527485891,-2.8360785398,0.1482085091,0.1482085091,GGA,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:Ba-La-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_146_2a_a_a_6b_a:Ba-La-Mg-O-Sb, expected Ba2LaMgSbO18 to be Ba2LaMgSbO6" +mp-1218553,Sr6Fe2Ru2O11,-7.0796137448,-2.3158335522,0.132830392,0.132830392,GGA+U,C2,A2B11C2D6_mC42_5_c_2a3b3c_c_3c:Fe-O-Ru-Sr,21.0,A2B11C2D6_mC42_5_c_2a3b3c_c_3c:Fe-O-Ru-Sr +mp-1173476,Sr18Fe6Ru3O34,-7.0867688638,-2.5418240568,0.0303751918,0.0303751918,GGA+U,C2/m,A6B34C3D18_mC122_12_3i_bc16i_ai_9i:Fe-O-Ru-Sr,61.0,"Invalid WP multiplicities - A6B34C3D18_mC122_12_6i_ac31i_bi_17i:Fe-O-Ru-Sr, expected Sr34Fe12Ru3O64 to be Sr18Fe6Ru3O34" +mp-1218399,Sr4FeRuO8,-7.1357015129,-2.5588509948,0.0,-0.0371562325,GGA+U,Cmmm,AB8CD4_oC28_65_a_ghn_c_gh:Fe-O-Ru-Sr,14.0,"Invalid WP multiplicities - AB8CD4_oC28_65_a_2ghn_c_2gh:Fe-O-Ru-Sr, expected Sr6FeRuO10 to be Sr4FeRuO8" +mp-1218567,Sr8Fe2Ru2O13,-6.9897220008000005,-2.4572520659,0.0920619661,0.0920619661,GGA+U,C2/m,A2B13C2D8_mC50_12_i_abci2j_i_2j:Fe-O-Ru-Sr,25.0,"Invalid WP multiplicities - A2B13C2D8_mC50_12_i_abc2i5j_i_5j:Fe-O-Ru-Sr, expected Sr20Fe2Ru2O27 to be Sr8Fe2Ru2O13" +mp-1218831,Sr2FeRuO6,-7.373137807,-2.2927835146,0.0,-0.0215104903,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Fe-O-Ru-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Ru-Sr +mp-697833,SrLaFeRuO6,-7.920228122,-2.5152224644,0.007603096,0.007603096,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Fe-La-O-Ru-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Fe-La-O-Ru-Sr, expected SrLaFeRuO12 to be SrLaFeRuO6" +mp-1218474,Sr3Fe2RuO9,-7.2991644813,-2.2456228999,0.0243438433,0.0243438433,GGA+U,P4/mmm,A2B9CD3_tP15_123_g_aegi_b_ch:Fe-O-Ru-Sr,15.0,"Invalid WP multiplicities - A2B9CD3_tP15_123_g_a2eg2i_b_ch:Fe-O-Ru-Sr, expected Sr3Fe2RuO15 to be Sr3Fe2RuO9" +mp-1218461,Sr3FeRuO7,-7.1933551983,-2.4067114409,0.0412781037,0.0412781037,GGA+U,I4mm,AB7CD3_tI24_107_a_3a2b_a_3a:Fe-O-Ru-Sr,12.0,AB7CD3_tI24_107_a_3a2b_a_3a:Fe-O-Ru-Sr +mp-1044765,PrMn2ZnO6,-7.707339341,-2.3028581193,0.1341671197,0.1341671197,GGA+U,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:Mn-O-Pr-Zn,20.0,"Invalid WP multiplicities - A2B6CD_oP20_31_b_4a4b_a_a:Mn-O-Pr-Zn, expected PrMn2ZnO12 to be PrMn2ZnO6" +mp-1042603,CaCr2CoO7,-7.7687683932,-2.0372380665,0.1173816581,0.1173816581,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Ca-Co-Cr-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_3e_2e_7e_17e:Ca-Co-Cr-O, expected Ca3Cr7Co2O17 to be CaCr2CoO7" +mp-1517820,SrNdHfFeO6,-8.616830755,-3.1603324157,0.1351098715,0.1351098715,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Fe-Hf-Nd-O-Sr,,ABCD6E_cF40_216_a_b_c_f_d:Fe-Hf-Nd-O-Sr +mp-1026504,HfMg14Cr,-2.5207946062,0.1050902188,0.1319687806,0.1319687806,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Hf-Mg, expected HfMg18Cr to be HfMg14Cr" +mp-1026470,HfMg14Cr,-2.5042949969,0.1215898281,0.14846839,0.14846839,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Hf-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Hf-Mg, expected HfMg26Cr to be HfMg14Cr" +mp-1016401,SrHfMg6,-2.538698845,0.1173465029,0.16558136,0.16558136,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_65_a_2e2h2j_b:Hf-Mg-Sr, expected SrHfMg12 to be SrHfMg6" +mp-1100159,SrHfMg6,-2.45560906,0.2004362879,0.248671145,0.248671145,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Sr,8.0,AB6C_oC16_38_a_abde_b:Hf-Mg-Sr +mp-1098297,SrHfMg6,-2.5411828325,0.1148625154,0.1630973725,0.1630973725,GGA,Cmmm,AB6C_oC16_65_a_ehj_b:Hf-Mg-Sr,8.0,AB6C_oC16_65_a_ehj_b:Hf-Mg-Sr +mp-1016625,HfMg6Cr,-3.4248095181,0.2266800819,0.2608320722,0.2608320722,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Hf-Mg, expected HfMg12Cr to be HfMg6Cr" +mp-1016626,HfMg6Cr,-3.449416295,0.202073305,0.2362252953,0.2362252953,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Hf-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Hf-Mg, expected HfMg12Cr to be HfMg6Cr" +mp-2226857,Sr2HfMgCrO6,-7.95633831,-3.0227350623,0.2052374185,0.2052374185,GGA+U,C2,ABCD6E2_mC22_5_a_b_a_3c_c:Cr-Hf-Mg-O-Sr,11.0,"Invalid WP multiplicities - ABCD6E2_mC22_5_a_b_a_4c_c:Cr-Hf-Mg-O-Sr, expected Sr2HfMgCrO8 to be Sr2HfMgCrO6" +mp-2217583,Sr2HfMgCrO6,-7.8244715536,-2.890868306,0.3371041748,0.3371041748,GGA+U,Immm,ABCD6E2_oI22_71_a_b_c_el_f:Cr-Hf-Mg-O-Sr,11.0,ABCD6E2_oI22_71_a_b_c_el_f:Cr-Hf-Mg-O-Sr +mp-1098545,SrHfMg30O32,-6.3647791289,-2.959324086,0.1066368324,0.1066368324,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Sr, expected SrHfMg90O80 to be SrHfMg30O32" +mp-1038674,SrHfMg30O32,-6.3625533309,-2.9570982881,0.1088626303,0.1088626303,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Sr, expected SrHfMg110O72 to be SrHfMg30O32" +mp-1034382,SrHfMg14O16,-6.4003572287,-2.8629315236,0.2149500138,0.2149500138,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Sr, expected SrHfMg18O20 to be SrHfMg14O16" +mp-1034376,SrHfMg14O16,-6.4004584566,-2.8630327515,0.214848786,0.214848786,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Sr, expected SrHfMg30O32 to be SrHfMg14O16" +mp-1033343,HfMg6CrO8,-7.0233821425,-2.7242929869,0.3201108445,0.3201108445,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cr-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cr-Hf-Mg-O, expected HfMg6CrO12 to be HfMg6CrO8" +mp-1033387,HfMg6CrO8,-6.9912237088,-2.6921345531,0.3522692783,0.3522692783,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-Hf-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-Hf-Mg-O, expected HfMg6CrO12 to be HfMg6CrO8" +mp-1038596,HfMg30CrO32,-6.488451023,-2.9585654486,0.0930657338,0.0930657338,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-Hf-Mg-O, expected HfMg90CrO80 to be HfMg30CrO32" +mp-1038569,HfMg30CrO32,-6.4861774786,-2.9562919042,0.0953392782,0.0953392782,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-Hf-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-Hf-Mg-O, expected HfMg110CrO72 to be HfMg30CrO32" +mp-1033901,HfMg14CrO16,-6.6524038988,-2.8661171306,0.1831049348,0.1831049348,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-Hf-Mg-O, expected HfMg18CrO20 to be HfMg14CrO16" +mp-1033839,HfMg14CrO16,-6.6495682866,-2.8632815184,0.185940547,0.185940547,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cr-Hf-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cr-Hf-Mg-O, expected HfMg30CrO32 to be HfMg14CrO16" +mp-1026552,SrHfMg14,-2.0308955206,0.0972671783,0.1319841134,0.1319841134,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Sr, expected SrHfMg18 to be SrHfMg14" +mp-1026536,SrHfMg14,-2.0344795562,0.0936831427,0.1284000777,0.1284000777,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Sr, expected SrHfMg26 to be SrHfMg14" +mp-1033367,SrHfMg6O8,-6.5356338631,-2.7342668335,0.367455942,0.367455942,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Sr, expected SrHfMg6O12 to be SrHfMg6O8" +mp-1033438,SrHfMg6O8,-6.494266725,-2.6928996954,0.4088230801,0.4088230801,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Sr, expected SrHfMg6O12 to be SrHfMg6O8" +mp-1222174,Mg2ZnAs2,-3.228867128,-0.473159024,0.0,-0.0064002306,GGA,P3m1,A2B2C_hP5_156_ab_ac_b:As-Mg-Zn,10.0,A2B2C_hP5_156_ab_ac_b:As-Mg-Zn +mp-1017630,Mg2ZnAs2,-3.059465036,-0.303756932,0.169402092,0.1630018614,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Mg-Zn,5.0,A2B2C_hP5_164_d_d_a:As-Mg-Zn +mp-1042425,ZnCuAs2O7,-6.0099395493,-1.5277569976,0.0284280467,0.0284280467,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Cu-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Cu-O-Zn +mp-1221951,MgZnCu,-2.517798055,-0.1980546117,0.0,-0.0601844658,GGA,Imma,ABC_oI12_74_a_e_c:Cu-Mg-Zn,6.0,ABC_oI12_74_a_e_c:Cu-Mg-Zn +mp-1037486,Mg30ZnCuO32,-6.2400292492,-2.932820022,0.015810457,0.015810457,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Zn, expected Mg110ZnCuO72 to be Mg30ZnCuO32" +mp-1037204,Mg30ZnCuO32,-6.2407432228,-2.9335339956,0.0150964834,0.0150964834,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Zn, expected Mg90ZnCuO80 to be Mg30ZnCuO32" +mp-1222179,Mg3Zn3As4,-2.962170422,-0.240515962,0.1513593115,0.1513593115,GGA,Cm,A4B3C3_mC20_8_4a_3a_3a:As-Mg-Zn,10.0,A4B3C3_mC20_8_4a_3a_3a:As-Mg-Zn +mp-1027999,Mg14ZnCu,-1.7232720494,0.0119073869,0.0702789855,0.0702789855,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cu-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cu-Mg-Zn, expected Mg18ZnCu to be Mg14ZnCu" +mp-1027998,Mg14ZnCu,-1.7229847994,0.0121946369,0.0705662355,0.0705662355,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cu-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cu-Mg-Zn, expected Mg26ZnCu to be Mg14ZnCu" +mp-1350669,Zn3Cu3(AsO4)4,-5.9008664985,-1.5216225046,0.0306971954,0.0306971954,GGA,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Cu-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Cu-O-Zn, expected Zn3Cu3(As5O29)2 to be Zn3Cu3(AsO4)4" +mp-2233288,MgZn2(CuO2)4,-5.3170411273,-1.311034218,0.118013773,0.118013773,GGA,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Cu-Mg-O-Zn,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Cu-Mg-O-Zn +mp-2227114,MgZn2(CuO2)4,-5.2588388153,-1.252831906,0.176216085,0.176216085,GGA,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Cu-Mg-O-Zn,15.0,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Cu-Mg-O-Zn +mp-1022621,Mg6ZnCu,-1.8529296606,0.0171491619,0.1077553019,0.1077553019,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cu-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cu-Mg-Zn, expected Mg12ZnCu to be Mg6ZnCu" +mp-1022640,Mg6ZnCu,-1.8544574556,0.0156213669,0.1062275069,0.1062275069,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cu-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cu-Mg-Zn, expected Mg12ZnCu to be Mg6ZnCu" +mp-1032597,Mg6ZnCuO8,-5.9970864481,-2.5887026812,0.0436983369,0.0436983369,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Zn, expected Mg6ZnCuO12 to be Mg6ZnCuO8" +mp-1032598,Mg6ZnCuO8,-6.0057308287,-2.5973470619,0.0350539562,0.0350539562,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Zn, expected Mg6ZnCuO12 to be Mg6ZnCuO8" +mp-1346917,Zn3Cu2(AsO4)4,-5.8833650776,-1.4929195908,0.0541420046,0.0541420046,GGA,P1,A4B2C16D3_aP25_1_4a_2a_16a_3a:As-Cu-O-Zn,25.0,A4B2C16D3_aP25_1_4a_2a_16a_3a:As-Cu-O-Zn +mp-1210656,MgZn2(AsO4)2,-6.093215265,-2.0154065135,0.0,-0.0129878413,GGA,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:As-Mg-O-Zn,26.0,A2BC8D2_mP26_14_e_a_4e_e:As-Mg-O-Zn +mp-1093776,Mg2ZnCu,-0.936955575,1.20292202,1.357997243,1.357997243,GGA,Immm,AB2C_oI8_71_a_e_b:Cu-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Cu-Mg-Zn +mp-2228485,MgZn2Cu(AsO4)2,-5.663829935,-1.5844927607,0.2869561446,0.2869561446,GGA,P-1,A2BCD8E2_aP14_2_i_b_e_4i_i:As-Cu-Mg-O-Zn,14.0,"Invalid WP multiplicities - A2BCD8E2_aP14_2_i_b_e_5i_i:As-Cu-Mg-O-Zn, expected MgZn2Cu(AsO5)2 to be MgZn2Cu(AsO4)2" +mp-1326455,ZnCuAsO5,-5.7155431306,-1.3716041005,0.0913336405,0.0913336405,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Cu-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Cu-O-Zn +mp-1207469,ZnCuAsO5,-5.8041834162,-1.4602443861,0.0026933548,0.0026933548,GGA,Pnnm,ABC5D_oP32_58_g_e_3gh_g:As-Cu-O-Zn,32.0,ABC5D_oP32_58_g_e_3gh_g:As-Cu-O-Zn +mp-6278,Zn2Cu(AsO4)2,-5.9030585877,-1.6330247115,0.0,-0.0080705491,GGA,P-1,A2BC8D2_aP13_2_i_a_4i_i:As-Cu-O-Zn,13.0,"Invalid WP multiplicities - A2BC8D2_aP13_2_i_a_5i_i:As-Cu-O-Zn, expected Zn2Cu(AsO5)2 to be Zn2Cu(AsO4)2" +mp-1035833,Mg14ZnCuO16,-6.1610849575,-2.8201508837,0.023069775,0.023069775,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Zn, expected Mg18ZnCuO20 to be Mg14ZnCuO16" +mp-1035800,Mg14ZnCuO16,-6.1595275762,-2.8185935025,0.0246271563,0.0246271563,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Zn, expected Mg30ZnCuO32 to be Mg14ZnCuO16" +mp-1096640,MgZnCu2,-1.5253515800000002,1.23925767,1.3897077544,1.3897077544,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Mg-Zn,4.0,A2BC_oI8_71_e_a_b:Cu-Mg-Zn +mp-1228814,Ca8ScFe7(SiO3)20,-8.0967995844,-3.0241422939,0.0562626392,0.0562626392,GGA+U,P1,A8B7C60DE20_aP96_1_8a_7a_60a_a_20a:Ca-Fe-O-Sc-Si,96.0,A8B7C60DE20_aP96_1_8a_7a_60a_a_20a:Ca-Fe-O-Sc-Si +mp-1233251,CaSc4(FeO3)4,-8.437362081,-2.6956560964,0.2071157285,0.2071157285,GGA+U,P1,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Fe-O-Sc,21.0,AB4C12D4_aP21_1_a_4a_12a_4a:Ca-Fe-O-Sc +mp-1227921,Ca3ScFe(SiO4)3,-8.1243980646,-3.3016226356,0.0053464777,0.0053464777,GGA+U,Ia-3,A3BC12DE3_cI160_206_d_a_2e_b_d:Ca-Fe-O-Sc-Si,80.0,A3BC12DE3_cI160_206_d_a_2e_b_d:Ca-Fe-O-Sc-Si +mp-23105,Sr3Fe2Br2O5,-6.5830183508,-2.4290164345,0.027370964,0.027370964,GGA+U,I4/mmm,A2B2C5D3_tI24_139_e_e_ag_be:Br-Fe-O-Sr,12.0,"Invalid WP multiplicities - A2B2C5D3_tI24_139_e_e_a2g_be:Br-Fe-O-Sr, expected Sr3Fe2Br2O9 to be Sr3Fe2Br2O5" +mp-556507,Sr2FeBrO3,-6.6134246604,-2.5788385774,0.0,-0.0457903451,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:Br-Fe-O-Sr,28.0,ABC3D2_tP14_129_c_c_cf_2c:Br-Fe-O-Sr +mp-2228735,Sr4MgFe2(BrO3)2,-6.169049962,-2.2967509479,0.2995787785,0.2995787785,GGA+U,P-4m2,A2B2CD6E4_tP15_115_g_g_a_efg_2g:Br-Fe-Mg-O-Sr,15.0,"Invalid WP multiplicities - A2B2CD6E4_tP15_115_g_g_a_2e2fg_3g:Br-Fe-Mg-O-Sr, expected Sr6MgFe2(BrO5)2 to be Sr4MgFe2(BrO3)2" +mp-2220066,Sr3MgFe2Br2O5,-6.1132132023,-2.1556514295,0.3637079125,0.3637079125,GGA+U,C2,A2B2CD5E3_mC26_5_c_c_b_a2c_ac:Br-Fe-Mg-O-Sr,13.0,"Invalid WP multiplicities - A2B2CD5E3_tI26_119_e_e_c_a4f_be:Br-Fe-Mg-O-Sr, expected Sr3MgFe2Br2O9 to be Sr3MgFe2Br2O5" +mp-2219084,Sr3MgFe2Br2O5,-6.0903060192,-2.1327442464,0.3866150956,0.3866150956,GGA+U,I4mm,A2B2CD5E3_tI26_107_2a_2a_a_a2b_3a:Br-Fe-Mg-O-Sr,13.0,"Invalid WP multiplicities - A2B2CD5E3_tI26_107_2a_2a_a_a3b_3a:Br-Fe-Mg-O-Sr, expected Sr3MgFe2Br2O7 to be Sr3MgFe2Br2O5" +mp-2232718,Ba3MgNb2CoO9,-7.7332467613,-2.7839760646,0.2805460759,0.2805460759,GGA+U,Cm,A3BCD2E9_mC32_8_3a_a_a_2a_3a3b:Ba-Co-Mg-Nb-O,16.0,"Invalid WP multiplicities - A3BCD2E9_mC32_8_3a_a_a_2a_3a6b:Ba-Co-Mg-Nb-O, expected Ba3MgNb2CoO15 to be Ba3MgNb2CoO9" +mp-2232754,Ba3MgNb2CoO9,-7.6002556163,-2.6509849196,0.4135372209,0.4135372209,GGA+U,Cm,A3BCD2E9_mC32_8_3a_a_a_2a_3a3b:Ba-Co-Mg-Nb-O,16.0,"Invalid WP multiplicities - A3BCD2E9_mC32_8_3a_a_a_2a_3a6b:Ba-Co-Mg-Nb-O, expected Ba3MgNb2CoO15 to be Ba3MgNb2CoO9" +mp-2232906,Ba3MgNb2CoO9,-7.68626863,-2.7369979334,0.3275242072,0.3275242072,GGA+U,Cm,A3BCD2E9_mC32_8_3a_a_a_2a_3a3b:Ba-Co-Mg-Nb-O,16.0,A3BCD2E9_aP16_1_3a_a_a_2a_9a:Ba-Co-Mg-Nb-O +mp-2232996,Ba3MgNb2CoO9,-7.6940568744,-2.7447861777,0.3197359628,0.3197359628,GGA+U,C2/m,A3BCD2E9_mC32_12_ai_c_d_i_beij:Ba-Co-Mg-Nb-O,16.0,"Invalid WP multiplicities - A3BCD2E9_mC32_12_c2i_b_a_i_d2eij:Ba-Co-Mg-Nb-O, expected Ba5MgNb2CoO11 to be Ba3MgNb2CoO9" +mp-2230498,MgNb4(CoO6)2,-8.6310808421,-2.5477966139,0.1874884086,0.1874884086,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O +mp-2230530,MgNb4(CoO6)2,-8.6049641921,-2.5216799639,0.2136050586,0.2136050586,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O +mp-2230835,MgNb4(CoO6)2,-8.6257450179,-2.5424607897,0.1928242328,0.1928242328,GGA+U,P1,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O,19.0,A2BC4D12_aP19_1_2a_a_4a_12a:Co-Mg-Nb-O +mp-2230492,MgNb4(CoO6)2,-8.6391055311,-2.5558213029,0.1794637196,0.1794637196,GGA+U,P2/m,A2BC4D12_mP19_10_ce_b_jk_mn2o:Co-Mg-Nb-O,19.0,"Invalid WP multiplicities - A2BC4D12_mP19_10_bc_e_ik_2m2n6o:Co-Mg-Nb-O, expected MgNb4(CoO16)2 to be MgNb4(CoO6)2" +mp-1028404,Mg14NbCo,-2.3530978969,0.1227485741,0.1574770419,0.1574770419,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Nb, expected Mg18NbCo to be Mg14NbCo" +mp-1028402,Mg14NbCo,-2.3329903338,0.1428561372,0.177584605,0.177584605,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Nb, expected Mg26NbCo to be Mg14NbCo" +mp-1036983,Mg30NbCoO32,-6.4235433317,-2.9311673459,0.0719740732,0.0719740732,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Co-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Co-Mg-Nb-O, expected Mg110NbCoO72 to be Mg30NbCoO32" +mp-1036975,Mg30NbCoO32,-6.4237039377,-2.9313279518,0.0718134672,0.0718134672,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Co-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Co-Mg-Nb-O, expected Mg90NbCoO80 to be Mg30NbCoO32" +mp-1046744,Mg2Nb2CoO8,-8.1957039438,-2.8045502773,0.017575091,0.017575091,GGA+U,C2/c,AB2C2D8_mC52_15_e_f_f_4f:Co-Mg-Nb-O,26.0,"Invalid WP multiplicities - AB2C2D8_mC52_15_e_f_f_5f:Co-Mg-Nb-O, expected Mg2Nb2CoO10 to be Mg2Nb2CoO8" +mp-1228382,Ba2NbCoO6,-7.786693898,-2.7139233998,0.0660961903,0.0660961903,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Co-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Co-Nb-O +mp-1031981,Mg6NbCoO8,-6.736130565,-2.5870797634,0.2633650146,0.2633650146,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Co-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Co-Mg-Nb-O, expected Mg6NbCoO12 to be Mg6NbCoO8" +mp-1032018,Mg6NbCoO8,-6.70079303,-2.5517422284,0.2987025496,0.2987025496,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Co-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Co-Mg-Nb-O, expected Mg6NbCoO12 to be Mg6NbCoO8" +mp-1035120,Mg14NbCoO16,-6.5168515822,-2.8055839911,0.1466585476,0.1466585476,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Co-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Co-Mg-Nb-O, expected Mg18NbCoO20 to be Mg14NbCoO16" +mp-1035029,Mg14NbCoO16,-6.5153789487,-2.8041113577,0.148131181,0.148131181,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Co-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Co-Mg-Nb-O, expected Mg30NbCoO32 to be Mg14NbCoO16" +mp-1228527,Ba6Nb9CoO30,-8.6841451041,-3.0768717534,0.0402627722,0.0402627722,GGA+U,Cmm2,A6BC9D30_oC92_35_cde_a_b2f_abde6f:Ba-Co-Nb-O,46.0,"Invalid WP multiplicities - A6BC9D30_oC92_35_cde_a_b3f_abde9f:Ba-Co-Nb-O, expected Ba6Nb13CoO42 to be Ba6Nb9CoO30" +mp-562226,Ba8Nb6CoO24,-8.3467379923,-3.1726744891,0.0034431713,0.0034431713,GGA+U,P-3m1,A8BC6D24_hP39_164_c3d_a_c2d_4i:Ba-Co-Nb-O,39.0,"Invalid WP multiplicities - A8BC6D24_hP39_164_c4d_a_2c4d_13i:Ba-Co-Nb-O, expected Ba10Nb12CoO78 to be Ba8Nb6CoO24" +mp-1022037,Mg6NbCo,-3.1694245487,0.1819883431,0.2361880631,0.2361880631,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Nb, expected Mg12NbCo to be Mg6NbCo" +mp-1022047,Mg6NbCo,-3.1071289094,0.2442839825,0.2984837025,0.2984837025,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Nb, expected Mg12NbCo to be Mg6NbCo" +mp-1096591,MgNbCo2,-3.763789825,2.715765345,2.8420010521,2.8420010521,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Mg-Nb,4.0,A2BC_oI8_71_e_a_b:Co-Mg-Nb +mp-2219413,MgNb2(CoO4)2,-8.2519980931,-2.4371492154,0.1060306585,0.1060306585,GGA+U,Cm,A2BC2D8_mC26_8_2a_a_2a_8a:Co-Mg-Nb-O,13.0,A2BC2D8_mC26_8_2a_a_2a_8a:Co-Mg-Nb-O +mp-561599,Ba3Nb2CoO9,-8.1926506363,-3.0201138966,0.0020318323,-0.0227788992,GGA+U,C2/m,A3BC2D9_mC30_12_ai_c_i_beij:Ba-Co-Nb-O,30.0,A3BC2D9_mC30_12_bi_c_i_afij:Ba-Co-Nb-O +mp-31514,Ba3Nb2CoO9,-8.1946824687,-3.0221457289,0.0,-0.0248107315,GGA+U,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Co-Nb-O,15.0,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Co-Nb-O +mp-1521542,CaNdHfTiO6,-8.955921767,-3.5252657043,0.1904332068,0.1904332068,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-Nd-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-Nd-O-Ti +mp-754975,Li4Cr2Ni3Te3O16,-6.4864704318,-1.7415013780000002,0.0994338597,0.0994338597,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Cr-Li-Ni-O-Te,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Cr-Li-Ni-O-Te +mp-757190,Li4Cr3Ni3(TeO8)2,-6.869312285,-1.8918524606,0.0070878118,0.0070878118,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Ni-O-Te, expected Li4Cr3Ni3(TeO10)2 to be Li4Cr3Ni3(TeO8)2" +mp-1044954,Si2Ni13(SbO14)2,-6.2147416158,-1.0423482981,0.4094708209,0.4094708209,GGA+U,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Ni-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Ni-O-Sb-Si, expected Si2Ni25(SbO26)2 to be Si2Ni13(SbO14)2" +mp-1228500,Al4Ni15Sb,-5.6758882685,-0.3852205305,0.0014369085,0.0014369085,GGA,P4/mmm,A4B15C_tP20_123_2g_ce2h2i_a:Al-Ni-Sb,20.0,"Invalid WP multiplicities - A4B15C_tP20_123_3g_c2e3h7i_a:Al-Ni-Sb, expected Al6Ni39Sb to be Al4Ni15Sb" +mp-1077588,SiNiSb,-5.1224511283,-0.0109658117,0.3364462656,0.3364462656,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ni-Sb-Si,6.0,ABC_tP6_129_a_c_c:Ni-Sb-Si +mp-1044564,Al4Si2Ni13(SbO14)2,-7.0760741382,-2.0201557174,0.0135620626,0.0135620626,GGA+U,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Ni-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Ni-O-Sb-Si, expected Al4Si2Ni37(SbO46)2 to be Al4Si2Ni13(SbO14)2" +mp-1228852,AlNi3Sb,-5.301030572,-0.25803315,0.2018214445,0.2018214445,GGA,P-6m2,AB3C_hP5_187_b_ai_c:Al-Ni-Sb,5.0,AB3C_hP5_187_b_ai_c:Al-Ni-Sb +mp-1228041,AlSiNi6,-5.9259121425,-0.4444479,0.0,-0.0069641263,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Al-Ni-Si,8.0,AB6C_tP8_123_a_cdi_b:Al-Ni-Si +mp-1228043,AlSiNi2,-5.7600527362000005,-0.5772609312,0.0,-0.0157426669,GGA,P2_1,AB2C_mP8_4_a_2a_a:Al-Ni-Si,8.0,AB2C_mP8_4_a_2a_a:Al-Ni-Si +mp-1096756,AlSiNi2,-3.2280316575,1.9547601475,2.5320210787,2.5162784119,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ni-Si,4.0,AB2C_oI8_71_a_e_b:Al-Ni-Si +mp-1157674,Al2Si3(NiO4)3,-7.6206877665,-2.5972987502,0.1083434953,0.1083434953,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Ni-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Ni-O-Si +mp-1228673,AlSi9Ni16,-6.0958107688,-0.5167482696,0.0074860737,0.0074860737,GGA,Ama2,AB16C9_oC104_40_b_6b5c_b4c:Al-Ni-Si,52.0,AB16C9_oC104_40_b_6b5c_b4c:Al-Ni-Si +mp-1218865,Sr2Al3In,-3.1898537967,-0.2952874422,0.0126004412,0.0126004412,GGA,Cm,A3BC2_mC12_8_3a_a_2a:Al-In-Sr,6.0,A3BC2_mC12_8_3a_a_2a:Al-In-Sr +mp-1218590,SrAlIn,-3.0687210917,-0.3398034206,0.0144591342,0.0144591342,GGA,C2/m,ABC_mC12_12_i_i_i:Al-In-Sr,6.0,ABC_mC12_12_i_i_i:Al-In-Sr +mp-1220944,Nb12Al3In,-8.5709088331,-0.1206543519,0.044235223,0.044235223,GGA,Pmmm,A3BC12_oP16_47_al_b_2knpw:Al-In-Nb,16.0,"Invalid WP multiplicities - A3BC12_oP16_47_al_b_4k2n2p2w:Al-In-Nb, expected Nb24Al3In to be Nb12Al3In" +mp-1218858,Sr2AlIn3,-2.9431878633,-0.3799188756,0.0207183504,0.0207183504,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Al-In-Sr,6.0,AB3C2_hP6_156_a_a2b_2c:Al-In-Sr +mp-1218678,Sr3(AlIn2)2,-2.9598021367,-0.3413169211,0.0438620811,0.0438620811,GGA,Cm,A2B4C3_mC36_8_4a_8a_6a:Al-In-Sr,18.0,A2B4C3_mC36_8_4a_8a_6a:Al-In-Sr +mp-642031,Sr11Al4In3,-2.5825550708,-0.2591227099,0.0026400619,0.0026400619,GGA,Fm-3m,A4B3C11_cF144_225_f_e_abfh:Al-In-Sr,36.0,"Invalid WP multiplicities - A4B3C11_cF144_225_f_e_ab4f5h:Al-In-Sr, expected Sr47Al4In3 to be Sr11Al4In3" +mp-694876,NaSr2LaTi4O12,-8.5203792443,-3.491391649,0.0094820347,0.0094820347,GGA,P-42m,ABC12D2E4_tP60_111_ah_dg_ef2m6n_bcgh_3m:La-Na-O-Sr-Ti,60.0,"Invalid WP multiplicities - ABC12D2E4_tP60_111_a2h_d2g_2e2f8m20n_bc2g2h_9m:La-Na-O-Sr-Ti, expected Na5Sr10La5Ti36O120 to be NaSr2LaTi4O12" +mp-1220889,NaSr2LaTi4O12,-8.520863389,-3.4918757937,0.00899789,0.00899789,GGA,P-42m,ABC12D2E4_tP20_111_a_d_ef2n_bc_m:La-Na-O-Sr-Ti,20.0,"Invalid WP multiplicities - ABC12D2E4_tP20_111_a_d_2e2f6n_bc_m:La-Na-O-Sr-Ti, expected NaSr2LaTi4O32 to be NaSr2LaTi4O12" +mp-1220902,NaSr2LaTi4O12,-8.516114113,-3.4871265177,0.013747166,0.013747166,GGA,I4/mmm,ABC12D2E4_tI40_139_a_b_cdm_e_g:La-Na-O-Sr-Ti,20.0,"Invalid WP multiplicities - ABC12D2E4_tI40_139_a_b_2c2dm_e_g:La-Na-O-Sr-Ti, expected NaSr2LaTi4O16 to be NaSr2LaTi4O12" +mp-695243,Na2SrLa2Ti5O15,-8.5681942942,-3.4528203341,0.0167700026,0.0167700026,GGA,C2,A2B2C15DE5_mC100_5_2c_2c_ab14c_ab_5c:La-Na-O-Sr-Ti,50.0,"Invalid WP multiplicities - A2B2C15DE5_mC100_5_3c_3c_ab27c_ab_10c:La-Na-O-Sr-Ti, expected Na3SrLa3Ti10O28 to be Na2SrLa2Ti5O15" +mp-40830,NaSr3LaTi5O15,-8.5038788218,-3.5036866814,0.0076147846,0.0076147846,GGA,I-42m,ABC15D3E5_tI100_121_e_e_c2h5i_ab2e_d2h:La-Na-O-Sr-Ti,50.0,"Invalid WP multiplicities - ABC15D3E5_tI100_121_e_e_2c7h17i_ab4e_d6h:La-Na-O-Sr-Ti, expected NaSr5LaTi13O50 to be NaSr3LaTi5O15" +mp-1173878,Na3Sr14La3Ti20O60,-8.4865504404,-3.5151537549,0.0065754934,0.0065754934,GGA,Cmm2,A3B3C60D14E20_oC200_35_2ab_a2b_10c10d10e_7a7b_10c:La-Na-O-Sr-Ti,100.0,"Invalid WP multiplicities - A3B3C60D14E20_oC200_35_2ab_a2b_20c20d20e_7a7b_20c:La-Na-O-Sr-Ti, expected Na3Sr14La3Ti40O120 to be Na3Sr14La3Ti20O60" +mp-695476,NaSr8LaTi10O30,-8.4677284388,-3.5251272082,0.0070298224,0.0070298224,GGA,P4/mmm,ABC30D8E10_tP50_123_a_c_f2ik2r_2g2h_e2i:La-Na-O-Sr-Ti,50.0,"Invalid WP multiplicities - ABC30D8E10_tP50_123_a_c_2f8i4k14r_3g3h_2e7i:La-Na-O-Sr-Ti, expected NaSr12LaTi32O164 to be NaSr8LaTi10O30" +mp-695213,Na9Sr2La9Ti20O60,-8.5900463043,-3.4458768893,0.0132856651,0.0132856651,GGA,P1,A9B9C60D2E20_aP100_1_9a_9a_60a_2a_20a:La-Na-O-Sr-Ti,100.0,A9B9C60D2E20_aP100_1_9a_9a_60a_2a_20a:La-Na-O-Sr-Ti +mp-695582,Na3Sr4La3Ti10O30,-8.53879531,-3.4810122597,0.0094336416,0.0094336416,GGA,P1,A3B3C30D4E10_aP50_1_3a_3a_30a_4a_10a:La-Na-O-Sr-Ti,50.0,A3B3C30D4E10_aP50_1_3a_3a_30a_4a_10a:La-Na-O-Sr-Ti +mp-1173082,Na3Sr4La3Ti10O30,-8.5379852276,-3.4802021773,0.010243724,0.010243724,GGA,Fmm2,A3B3C30D4E10_oF200_42_ac_ac_b5cd4e_2c_b2e:La-Na-O-Sr-Ti,50.0,"Invalid WP multiplicities - A3B3C30D4E10_oF200_42_a2c_a2c_2b9c2d16e_4c_2b6e:La-Na-O-Sr-Ti, expected Na5Sr8La5Ti28O90 to be Na3Sr4La3Ti10O30" +mp-13182,Li2TiGeO5,-7.2799144517,-2.7166023226,0.0,-0.0006021639,GGA,P4/nmm,AB2C5D_tP18_129_a_e_ci_c:Ge-Li-O-Ti,18.0,"Invalid WP multiplicities - AB2C5D_tP18_129_a_e_c2i_c:Ge-Li-O-Ti, expected Li2TiGeO9 to be Li2TiGeO5" +mp-556814,LiNdGeO4,-7.2999889393,-2.8590099394,0.0015714118,0.0015714118,GGA,Pbcn,ABCD4_oP28_60_c_c_c_2d:Ge-Li-Nd-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_60_c_c_c_8d:Ge-Li-Nd-O, expected LiNdGeO16 to be LiNdGeO4" +mp-1191394,Li8Nd7Ge10,-4.4824985040000005,-0.6873507636,0.0007813648,0.0007813648,GGA,Cmmm,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Nd,25.0,A10B8C7_oC50_65_ghjp_pq_ag2h:Ge-Li-Nd +mp-1188849,LiNdGe2,-4.6460428962,-0.6652613940000001,0.0,-0.0398885264,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ge-Li-Nd,16.0,A2BC_oP16_62_2c_c_c:Ge-Li-Nd +mp-1196908,Li(NdGe)4,-5.1916509569,-0.8056927329,0.0,-0.0122770592,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Nd,36.0,A4BC4_oP36_62_2cd_c_2d:Ge-Li-Nd +mp-22331,NdTiGe,-6.3911027483,-0.6288803136000001,0.0,-0.0069520676,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Nd-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Nd-Ti +mp-1104331,Li2Nd2Ge3,-4.59298843,-0.7039564067,0.0,-0.0124533063,GGA,Cmcm,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Nd,14.0,A3B2C2_oC28_63_cf_f_2c:Ge-Li-Nd +mp-1025473,Li2NdGe,-3.6509447025,-0.3486894473,0.1639346142,0.1639346142,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Ge-Li-Nd,8.0,AB2C_hP8_194_a_f_c:Ge-Li-Nd +mp-1102842,Li4Nd3Ge4,-4.3436507909,-0.6679921378,0.0,-0.012125492,GGA,Immm,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Nd,11.0,A4B4C3_oI22_71_eg_n_bf:Ge-Li-Nd +mp-1013749,Li3Ti2(GeO4)3,-7.2192393684,-2.4818843317,0.0853146202,0.0853146202,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Li-O-Ti,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Li-O-Ti +mp-15821,LiNdGe,-4.4501981333,-0.6834987486,0.0,-0.0679293794,GGA,P-62m,ABC_hP9_189_ad_g_f:Ge-Li-Nd,9.0,ABC_hP9_189_ad_g_f:Ge-Li-Nd +mp-1206904,Nd2TiGe2,-4.753097116,0.5824714023,1.3182312537,1.3182312537,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Nd-Ti,5.0,A2B2C_tP5_123_g_g_a:Ge-Nd-Ti +mp-761969,Li4Fe3Ni3(SbO8)2,-6.6550429789,-1.7339291576,0.0175985215,0.0175985215,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Ni-O-Sb,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Ni-O-Sb +mp-757961,Li4Fe3Ni3(SbO8)2,-6.6356255479,-1.7145117265,0.0370159525,0.0370159525,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Ni-O-Sb, expected Li4Fe3Ni3(SbO10)2 to be Li4Fe3Ni3(SbO8)2" +mp-764048,Li4Fe2Ni3Sb3O16,-6.5659120057,-1.7998346119000002,0.0473569376,0.0473569376,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Sb,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Sb +mp-752848,Li4Fe2Ni3Sb3O16,-6.5597947907,-1.7937173969,0.0534741526,0.0534741526,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Fe-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Fe-Li-Ni-O-Sb, expected Li4Fe2Ni3Sb3O20 to be Li4Fe2Ni3Sb3O16" +mp-1177411,Li4Fe3Ni2Sb3O16,-6.6945418071,-1.8323971087,0.0745351658,0.0745351658,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Ni-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Ni-O-Sb, expected Li4Fe3Ni2Sb3O20 to be Li4Fe3Ni2Sb3O16" +mp-6113,LiTiAsO5,-7.4610082434,-2.5613861379,0.0,-0.0057045266,GGA,Pnma,ABC5D_oP32_62_c_a_3cd_c:As-Li-O-Ti,32.0,ABC5D_oP32_62_c_a_3cd_c:As-Li-O-Ti +mp-20698,LiCoAs,-5.0616680833,-0.5028817278000001,0.0,-0.0530177444,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Co-Li,6.0,ABC_tP6_129_c_a_c:As-Co-Li +mp-732284,Li2Ti4Co(AsO5)4,-7.6263624992,-2.4625438076,0.0096207247,0.0096207247,GGA+U,P1,A4BC2D20E4_aP62_1_8a_2a_4a_40a_8a:As-Co-Li-O-Ti,62.0,A4BC2D20E4_aP62_1_8a_2a_4a_40a_8a:As-Co-Li-O-Ti +mp-1285020,LiCoAsO4,-6.5927105654,-1.8122657208,0.0188647637,0.0188647637,GGA+U,P1,ABCD4_aP28_1_4a_4a_4a_16a:As-Co-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_11_4e_2e_2a2b_7e7f:As-Co-Li-O, expected Li4Co2As4O21 to be LiCoAsO4" +mp-20046,LiCoAsO4,-6.6090334564,-1.8285886119,0.0025418726,0.0025418726,GGA+U,Pnma,ABCD4_oP28_62_c_c_a_2cd:As-Co-Li-O,28.0,ABCD4_oP28_62_c_c_a_2cd:As-Co-Li-O +mp-1222380,LiCoAsO4,-6.5910667554,-1.8106219108,0.0205085737,0.0205085737,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:As-Co-Li-O,28.0,ABCD4_oI28_74_e_a_c_hi:As-Co-Li-O +mp-675818,Li11TiAs5,-3.7809400253,-0.7109849915,0.0127622615,0.0127622615,GGA,Cm,A5B11C_mC34_8_5a_11a_a:As-Li-Ti,17.0,A5B11C_mC34_8_5a_11a_a:As-Li-Ti +mp-722400,Li5TiAs3,-3.484292305,0.0065367578,0.7408339711,0.7408339711,GGA,P-1,A3B5C_aP18_2_ab2i_5i_i:As-Li-Ti,18.0,"Invalid WP multiplicities - A3B5C_aP18_2_ab3i_10i_i:As-Li-Ti, expected Li10TiAs4 to be Li5TiAs3" +mp-677039,Li5TiAs3,-4.2195025383,-0.7286734756000001,0.0056237378,0.0056237378,GGA,C2/c,A3B5C_mC36_15_af_e2f_e:As-Li-Ti,18.0,"Invalid WP multiplicities - A3B5C_mC36_15_2c2f_2e6f_e:As-Li-Ti, expected Li14TiAs6 to be Li5TiAs3" +mp-1214269,Ca2Si3Pb3O11,-7.3460906191,-2.8282658358,0.0,-0.0180802347,GGA,P-6,A2B11C3D3_hP57_174_acgh_j2k4l_kl_kl:Ca-O-Pb-Si,57.0,A2B11C3D3_hP57_174_acgh_j2k4l_kl_kl:Ca-O-Pb-Si +mp-1203161,Ca10Si5(ClO10)2,-7.32601381,-3.2770020128,0.0599304783,0.0599304783,GGA,C2/c,A10B2C20D5_mC148_15_5f_f_10f_e2f:Ca-Cl-O-Si,74.0,A10B2C20D5_mC148_15_5f_f_10f_e2f:Ca-Cl-O-Si +mp-504590,Ca2Si3PbO9,-7.7311292047,-3.1631292499,0.0016322468,0.0016322468,GGA,P-1,A2B9CD3_aP30_2_2i_9i_i_3i:Ca-O-Pb-Si,30.0,A2B9CD3_aP30_2_2i_9i_i_3i:Ca-O-Pb-Si +mp-558268,Ca4Si6Pb6Cl2O21,-7.1739661414,-2.8040244395,0.0,-0.0048009444,GGA,P6_3/m,A4B2C21D6E6_hP78_176_cdf_ab_h3i_i_i:Ca-Cl-O-Pb-Si,78.0,"Invalid WP multiplicities - A4B2C21D6E6_hP78_176_2cd2f_ab_6h27i_i_i:Ca-Cl-O-Pb-Si, expected Ca7Si6Pb6(ClO90)2 to be Ca4Si6Pb6Cl2O21" +mp-556364,Ca2SiCl2O3,-6.6874032406,-3.1906960852,0.0161139654,0.0161139654,GGA,I4,A2B2C3D_tI64_79_2c_2abc_3c_c:Ca-Cl-O-Si,32.0,"Invalid WP multiplicities - A2B2C3D_tI64_87_i_de2h_2h3i_h:Ca-Cl-O-Si, expected Ca2SiCl3O8 to be Ca2SiCl2O3" +mp-540868,Ca3Si(ClO2)2,-6.7739438765,-3.281349293,0.0,-0.0061490043,GGA,P2_1/c,A3B2C4D_mP40_14_3e_2e_4e_e:Ca-Cl-O-Si,40.0,A3B2C4D_mP40_14_3e_2e_4e_e:Ca-Cl-O-Si +mp-1214142,Ca11Si4ClO18,-7.2774383121,-3.3170911279,0.0757495821,0.0757495821,GGA,I4/mmm,A11BC18D4_tI68_139_acn_b_dlm_h:Ca-Cl-O-Si,34.0,"Invalid WP multiplicities - A11BC18D4_tI68_139_acn_b_dl2m_h:Ca-Cl-O-Si, expected Ca11Si4ClO26 to be Ca11Si4ClO18" +mp-1096503,Mg2CuAg,-1.3247523475,1.2083283458,1.3990284617,1.3990284617,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cu-Mg,4.0,ABC2_oI8_71_a_b_e:Ag-Cu-Mg +mp-1041232,BaMgAgF7,-4.890811032,-2.9175946554000003,0.0071018638,0.0071018638,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ag-Ba-F-Mg,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ag-Ba-F-Mg, expected BaMgAgF23 to be BaMgAgF7" +mp-998418,MgAgF3,-4.806576408,-2.7731218168,0.018142888,0.018142888,GGA,R-3c,AB3C_hR30_167_a_e_b:Ag-F-Mg,10.0,AB3C_hR30_167_a_e_b:Ag-F-Mg +mp-998358,MgAgF3,-4.79154036,-2.7580857688,0.033178936,0.033178936,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-F-Mg,5.0,AB3C_cP5_221_a_c_b:Ag-F-Mg +mp-1210575,MgAgF3,-3.628846704,-1.5953921128,1.195872592,1.195872592,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ag-F-Mg,5.0,AB3C_cP5_221_b_c_a:Ag-F-Mg +mp-1045802,Ba2MgCuAg2F14,-4.7120919258,-2.6139292182,0.0485490871,0.0485490871,GGA,P-1,A2B2CD14E_aP40_2_2i_2i_ab_14i_i:Ag-Ba-Cu-F-Mg,40.0,"Invalid WP multiplicities - A2B2CD14E_aP40_2_2i_4i_ab_27i_i:Ag-Ba-Cu-F-Mg, expected Ba4MgCuAg2F27 to be Ba2MgCuAg2F14" +mp-1369675,MgAgF5,-4.2827860107,-2.2841815977,0.1093916662,0.1093916662,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ag-F-Mg,28.0,AB5C_mP28_14_e_5e_e:Ag-F-Mg +mp-1401831,MgAgF5,-4.2942967171,-2.2956923042,0.0978809598,0.0978809598,GGA,C2/c,AB5C_mC28_15_a_e2f_e:Ag-F-Mg,14.0,"Invalid WP multiplicities - AB5C_mC28_15_a_e3f_e:Ag-F-Mg, expected MgAgF7 to be MgAgF5" +mp-1521693,SrNdZrNiO6,-7.896337657,-2.8497766107,0.194742999,0.194742999,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Nd-Ni-O-Sr-Zr,,ABC6DE_cF40_216_c_a_f_d_b:Nd-Ni-O-Sr-Zr +mp-1076287,La6Sm2Co7AgO24,-7.667151672,-2.4080385585,0.133337195,0.133337195,GGA+U,Amm2,AB7C6D24E2_oC80_38_a_a2bde_cf_2c4d4ef_c:Ag-Co-La-O-Sm,40.0,"Invalid WP multiplicities - AB7C6D24E2_oC80_38_a_a2b2d2e_c2f_2c8d8ef_c:Ag-Co-La-O-Sm, expected La10Sm2Co11AgO40 to be La6Sm2Co7AgO24" +mp-1076492,La6Sm2Co7AgO20,-7.8869690555,-2.5931421196,0.1004663385,0.1004663385,GGA+U,P1,AB7C6D20E2_aP144_1_4a_28a_24a_80a_8a:Ag-Co-La-O-Sm,144.0,AB7C6D20E2_aP144_1_4a_28a_24a_80a_8a:Ag-Co-La-O-Sm +mp-1076724,La4Sm4Co7AgO20,-7.8633284477,-2.5815804546,0.1103348606,0.1103348606,GGA+U,P1,AB7C4D20E4_aP144_1_4a_28a_16a_80a_16a:Ag-Co-La-O-Sm,144.0,AB7C4D20E4_aP144_1_4a_28a_16a_80a_16a:Ag-Co-La-O-Sm +mp-1076275,La7SmCo6(AgO12)2,-7.4968314055,-2.3391768126,0.1461458466,0.1461458466,GGA+U,Cmm2,A2B6C7D24E_oC80_35_d_d2e_a2b2c_2d2e4f_a:Ag-Co-La-O-Sm,40.0,"Invalid WP multiplicities - A2B6C7D24E_oC80_35_d_2d4e_a2b4c_4d4e12f_a:Ag-Co-La-O-Sm, expected La11SmCo12(AgO32)2 to be La7SmCo6(AgO12)2" +mp-1099698,La4Sm4Co7AgO24,-7.6271319318,-2.3788898668,0.154378466,0.154378466,GGA+U,Cm,AB7C4D24E4_mC80_8_a_3a2b_2ab_4a10b_2ab:Ag-Co-La-O-Sm,40.0,"Invalid WP multiplicities - AB7C4D24E4_mC80_8_a_3a4b_2a2b_4a20b_2a2b:Ag-Co-La-O-Sm, expected La6Sm6Co11AgO44 to be La4Sm4Co7AgO24" +mp-1219086,SmCo4Ag,-5.9336755283,0.0637266914,0.1813156294,0.1813156294,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Ag-Co-Sm,6.0,AB4C_hP6_187_a_ck_e:Ag-Co-Sm +mp-1219201,Sm2Co16Ag,-6.6437745168,-0.0120475172,0.0637557934,0.0637557934,GGA,R3m,AB16C2_hR57_160_a_a3bc_2a:Ag-Co-Sm,19.0,AB16C2_hR57_160_a_a3bc_2a:Ag-Co-Sm +mp-1075930,LaSm(CoO3)2,-7.850297341,-2.4951612312,0.0943332265,0.0943332265,GGA+U,P4/mmm,A2BC6D_tP40_123_r_ade_jkst_bcf:Co-La-O-Sm,40.0,"Invalid WP multiplicities - A2BC6D_tP40_123_r_ad2e_jk5s6t_bc2f:Co-La-O-Sm, expected La3Sm3(CoO12)4 to be LaSm(CoO3)2" +mp-1076866,La7SmCo6(AgO10)2,-7.7399815971,-2.5588863506,0.1070259038,0.1070259038,GGA+U,P1,A2B6C7D20E_aP144_1_8a_24a_28a_80a_4a:Ag-Co-La-O-Sm,144.0,A2B6C7D20E_aP144_1_8a_24a_28a_80a_4a:Ag-Co-La-O-Sm +mp-1076759,LaSmCo2O5,-8.0073656586,-2.6068465046,0.1136115857,0.1136115857,GGA+U,P1,A2BC5D_aP144_1_32a_16a_80a_16a:Co-La-O-Sm,144.0,A2BC5D_aP144_1_32a_16a_80a_16a:Co-La-O-Sm +mp-865363,Tm2MgRu,-5.1984675725,-0.2418792133,0.0675507693,0.0675507693,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Ru-Tm,4.0,ABC2_cF16_225_a_b_c:Mg-Ru-Tm +mp-2218068,Ba2TmMgRuO6,-6.9866618136,-2.544061799,0.3649486535,0.3649486535,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Ru-Tm,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Ru-Tm, expected Ba2TmMgRuO12 to be Ba2TmMgRuO6" +mp-2217942,Ba2TmMgRuO6,-6.9822560391,-2.5396560245,0.369354428,0.369354428,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ru-Tm,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Ru-Tm, expected Ba2TmMgRuO15 to be Ba2TmMgRuO6" +mp-2217683,Ba2TmMgRuO6,-6.9189933073,-2.4763932927,0.4326171599,0.4326171599,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ru-Tm,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Ru-Tm, expected Ba2TmMgRuO15 to be Ba2TmMgRuO6" +mp-570308,Eu(NiSb)2,-6.64221309,-0.6271575620000001,0.0,-0.021101215,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Eu-Ni-Sb,5.0,AB2C2_tI10_139_a_d_e:Eu-Ni-Sb +mp-1225511,Eu2Ni3Sb4,-6.7145535633,-0.6733959411,0.0,-0.006875724,GGA,P-4m2,A2B3C4_tP9_115_g_abc_2g:Eu-Ni-Sb,9.0,"Invalid WP multiplicities - A2B3C4_tP9_115_g_abc_4g:Eu-Ni-Sb, expected Eu2Ni3Sb8 to be Eu2Ni3Sb4" +mp-1516260,SrCeEuCrO6,-8.757970469,-3.0366940544,0.1892980847,0.1892980847,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ce-Cr-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ce-Cr-Eu-O-Sr +mp-1516790,BaCaHfZrO6,-8.846815809,-3.6358561343,0.094960758,0.094960758,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-Zr +mp-1219576,RbNbTeO6,-7.1673591378,-2.2889949963,0.0,-0.0857070081,GGA,Imma,AB6CD_oI36_74_a_2ej_e_c:Nb-O-Rb-Te,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_e_c:Nb-O-Rb-Te, expected RbNbTeO12 to be RbNbTeO6" +mp-1201687,RbNb3(TeO6)2,-7.8823993679,-2.4973257282,0.0,-0.0271114322,GGA,Pbcm,A3B12CD2_oP72_57_de_cd5e_d_e:Nb-O-Rb-Te,72.0,A3B12CD2_oP72_57_de_cd5e_d_e:Nb-O-Rb-Te +mp-1233161,Rb2MgNb2(TeO6)2,-7.0228431158,-2.317009716,0.0959249846,0.0959249846,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te +mp-1233543,Rb2MgNb2(TeO6)2,-6.9726754079,-2.2668420081,0.1460926925,0.1460926925,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te +mp-1233742,Rb2MgNb2(TeO6)2,-7.0094987732,-2.3036653733,0.1092693273,0.1092693273,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Mg-Nb-O-Rb-Te +mp-1233302,Rb2MgNb2(TeO6)2,-7.0077693411,-2.3019359412,0.1109987594,0.1109987594,GGA,Cm,AB2C12D2E2_mC38_8_a_b_4a4b_2a_2a:Mg-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_8_a_b_4a8b_2a_2a:Mg-Nb-O-Rb-Te, expected Rb2MgNb2(TeO10)2 to be Rb2MgNb2(TeO6)2" +mp-1233690,Rb2MgNb2(TeO6)2,-6.9249561858,-2.219122786,0.1938119146,0.1938119146,GGA,C2/m,AB2C12D2E2_mC38_12_b_e_2i2j_i_ac:Mg-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_a_f_4i8j_i_bc:Mg-Nb-O-Rb-Te, expected Rb2MgNb2(TeO20)2 to be Rb2MgNb2(TeO6)2" +mp-1234014,Rb2MgNb2(TeO6)2,-6.8600537911,-2.1542203912,0.2587143094,0.2587143094,GGA,C2/m,AB2C12D2E2_mC38_12_b_ac_2i2j_i_e:Mg-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_b_ac_4i6j_i_f:Mg-Nb-O-Rb-Te, expected Rb2MgNb2(TeO16)2 to be Rb2MgNb2(TeO6)2" +mp-1046746,Mg2Nb2TeO8,-7.7570312808,-2.6708785297,0.1379063362,0.1379063362,GGA,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:Mg-Nb-O-Te,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_4i_4i_16i_i:Mg-Nb-O-Te, expected Mg4Nb4TeO16 to be Mg2Nb2TeO8" +mp-2218974,Rb3MgNbO8,-5.9607543946,-1.790239241,0.2209764146,0.2209764146,GGA,C2,ABC8D3_mC26_5_a_b_4c_ac:Mg-Nb-O-Rb,13.0,ABC8D3_mC26_5_a_b_4c_ac:Mg-Nb-O-Rb +mp-2219743,Rb3MgNbO8,-5.7733208562,-1.6028057025,0.4084099531,0.4084099531,GGA,Cm,ABC8D3_mC26_8_a_a_4a2b_ab:Mg-Nb-O-Rb,13.0,"Invalid WP multiplicities - ABC8D3_mC26_8_a_a_4a4b_ab:Mg-Nb-O-Rb, expected Rb3MgNbO12 to be Rb3MgNbO8" +mp-1017199,RbMg6Nb,-2.2096240125,0.3758159141,0.3882374667,0.3882374667,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Rb,8.0,A6BC_oC16_38_abde_a_b:Mg-Nb-Rb +mp-1017173,RbMg6Nb,-2.2275236338,0.3579162928,0.3703378455,0.3703378455,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Nb-Rb,8.0,A6BC_tP8_123_ej_b_d:Mg-Nb-Rb +mp-2225837,RbMgNbO3,-6.2844590683,-1.6974281856,0.8982599112,0.8982599112,GGA,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Nb-O-Rb,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Nb-O-Rb +mp-2227220,RbMgNbO3,-6.9158543217,-2.328823439,0.2668646579,0.2668646579,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Nb-O-Rb,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Nb-O-Rb +mp-1219686,Rb(Nb3Te4)2,-6.505914442,-0.7235936781000001,0.0055570293,0.0055570293,GGA,P-3,A6BC8_hP15_147_g_a_dg:Nb-Rb-Te,15.0,A6BC8_hP15_147_g_a_dg:Nb-Rb-Te +mp-1220125,Rb3MgNb5O15,-8.3009997256,-2.9156356366,0.0226346658,0.0226346658,GGA,P2_12_12_1,AB5C15D3_oP96_19_a_5a_15a_3a:Mg-Nb-O-Rb,96.0,"Invalid WP multiplicities - AB5C15D3_oP96_19_a_18a_55a_11a:Mg-Nb-O-Rb, expected Rb11MgNb18O55 to be Rb3MgNb5O15" +mp-1026662,RbMg14Nb,-1.8432245288,0.2496354595,0.264127271,0.264127271,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Rb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Rb, expected RbMg18Nb to be RbMg14Nb" +mp-1026615,RbMg14Nb,-1.8733513594,0.2195086289,0.2340004403,0.2340004403,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Rb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Rb, expected RbMg26Nb to be RbMg14Nb" +mp-559004,ErMoClO4,-7.9790917207,-2.6864259457,0.0,-0.0270622199,GGA+U,C2/m,ABCD4_mC28_12_i_i_i_2ij:Cl-Er-Mo-O,14.0,"Invalid WP multiplicities - ABCD4_mC28_12_i_i_i_4i2j:Cl-Er-Mo-O, expected ErMoClO8 to be ErMoClO4" +mp-2230101,Er5Mg(MoO6)2,-8.504376839,-3.2298548962,0.1425909428,0.1425909428,GGA+U,Cm,A5BC2D12_mC40_8_5a_a_b_4a4b:Er-Mg-Mo-O,20.0,A5BC2D12_mC40_8_5a_a_b_4a4b:Er-Mg-Mo-O +mp-2230038,Er5Mg(MoO6)2,-8.595524023,-3.3210020803,0.0514437588,0.0514437588,GGA+U,C2/m,A5BC2D12_mC40_12_a2i_b_h_2i2j:Er-Mg-Mo-O,20.0,A5BC2D12_mC40_12_a2i_b_h_2i2j:Er-Mg-Mo-O +mp-2227637,Er2MgMo2(ClO4)2,-7.68379054,-2.6372838133,0.1442019805,0.1442019805,GGA+U,C2,A2B2CD2E8_mC30_5_c_c_a_c_4c:Cl-Er-Mg-Mo-O,15.0,"Invalid WP multiplicities - A2B2CD2E8_mC30_5_c_c_a_c_8c:Cl-Er-Mg-Mo-O, expected Er2MgMo2(ClO8)2 to be Er2MgMo2(ClO4)2" +mp-18502,BaSi3SnO9,-7.8596109293,-3.0935609803,0.0,-0.0206167405,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:Ba-O-Si-Sn,28.0,"Invalid WP multiplicities - AB9C3D_hP28_188_a_k2l_k_c:Ba-O-Si-Sn, expected BaSi3SnO15 to be BaSi3SnO9" +mp-1521740,BaTi4SnO12,-8.10258402,-2.7208740535,0.3710344269,0.3710344269,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sn-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sn-Ti, expected BaTi4SnO16 to be BaTi4SnO12" +mp-1228270,Ba4TiSi12(SnO12)3,-8.0012736018,-3.1658322213,0.0008661929,0.0008661929,GGA,P312,A4B36C12D3E_hP56_149_abg_6l_2l_ch_d:Ba-O-Si-Sn-Ti,56.0,"Invalid WP multiplicities - A4B36C12D3E_hP56_149_abg_36l_12l_ch_d:Ba-O-Si-Sn-Ti, expected Ba4TiSi72(SnO72)3 to be Ba4TiSi12(SnO12)3" +mp-1046610,Ba2Tl2Zn2Cr3O10,-6.6037613958,-1.8927744002,0.2713511832,0.2713511832,GGA+U,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Cr-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Cr-O-Tl-Zn +mp-1807788,Ba2Tl2Zn3Cr4O12,-6.5564784078,-1.7601774766,0.4002302952,0.4002302952,GGA+U,I4/mmm,A2B4C12D2E3_tI46_139_e_2e_2e2g_e_ae:Ba-Cr-O-Tl-Zn,23.0,"Invalid WP multiplicities - A2B4C12D2E3_tI46_139_e_3e_4e6g_e_ae:Ba-Cr-O-Tl-Zn, expected Ba2Tl2Zn3Cr6O32 to be Ba2Tl2Zn3Cr4O12" +mp-1044490,BaZnCr4O8,-7.7891440243,-1.9773998729,0.4634644084,0.4634644084,GGA+U,P-31m,AB4C8D_hP14_162_a_h_ck_b:Ba-Cr-O-Zn,14.0,AB4C8D_hP14_162_a_h_ck_b:Ba-Cr-O-Zn +mp-1521685,CaPrHfFeO6,-8.618641351,-3.1292565367,0.161973236,0.161973236,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Hf-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Hf-O-Pr +mp-1218765,Sr2MnCrO6,-7.7060583995,-2.5186402059,0.0614429561,0.0614429561,GGA+U,P4/mmm,ABC6D2_tP10_123_a_c_bdj_e:Cr-Mn-O-Sr,20.0,ABC6D2_tP10_123_a_c_bdj_e:Cr-Mn-O-Sr +mp-545646,Na2CoGeO4,-6.2123517169,-1.9419578316,0.0,-0.0156915791,GGA+U,Pc,ABC2D4_mP16_7_a_a_2a_4a:Co-Ge-Na-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_7_a_a_3a_7a:Co-Ge-Na-O, expected Na3CoGeO7 to be Na2CoGeO4" +mp-20161,Na2CoGeO4,-6.1821532153,-1.9117593301,0.0301985016,0.0145069225,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Co-Ge-Na-O,32.0,ABC2D4_oP16_31_a_a_b_2ab:Co-Ge-Na-O +mp-1013794,Na3Co2(GeO4)3,-6.2316986201,-1.6610206416,0.1411205382,0.1411205382,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Na-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Co-Ge-Na-O +mp-1516496,NaLaHfTiO6,-8.876896594,-3.4977620227,0.0929648986,0.0929648986,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Ti +mp-1199199,Rb3FeMo4O15,-7.546045061,-1.9375861681,0.1371403535,0.1371403535,GGA+U,P2_1/c,AB4C15D3_mP92_14_ab_4e_15e_3e:Fe-Mo-O-Rb,92.0,AB4C15D3_mP92_14_ab_4e_15e_3e:Fe-Mo-O-Rb +mp-647350,Rb5HfFe(MoO4)6,-7.8139506264,-2.215996293,0.0382509134,0.0382509134,GGA+U,P6_3,ABC6D24E5_hP74_173_b_b_2c_8c_abc:Fe-Hf-Mo-O-Rb,74.0,"Invalid WP multiplicities - ABC6D24E5_hP74_173_b_b_10c_45c_2a2b3c:Fe-Hf-Mo-O-Rb, expected Rb13HfFe(Mo2O9)15 to be Rb5HfFe(MoO4)6" +mp-563010,RbFe(MoO4)2,-7.9083103733,-2.015363274,0.0006095083,-0.0111118724,GGA+U,P-3,AB2C8D_hP12_147_a_d_dg_b:Fe-Mo-O-Rb,24.0,AB2C8D_hP12_147_a_d_dg_b:Fe-Mo-O-Rb +mp-18868,RbFe(MoO4)2,-7.9089198817,-2.0159727823,0.0,-0.0117213807,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:Fe-Mo-O-Rb,12.0,"Invalid WP multiplicities - AB2C8D_hP12_164_a_d_d2i_b:Fe-Mo-O-Rb, expected RbFe(MoO7)2 to be RbFe(MoO4)2" +mp-774503,Li4Cr3Cu2Sb3O16,-6.822767715,-1.9539366323,0.6089826143,0.6089826143,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cr-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Cr-Cu-Li-O-Sb, expected Li4Cr3Cu2Sb3O20 to be Li4Cr3Cu2Sb3O16" +mp-1178058,Li2Cr3CuO8,-7.4291932227,-1.9685000439,0.765235061,0.765235061,GGA+U,P1,A3BC2D8_aP56_1_12a_4a_8a_32a:Cr-Cu-Li-O,56.0,A3BC2D8_aP56_1_12a_4a_8a_32a:Cr-Cu-Li-O +mp-777277,Li2Cr3CuO8,-7.4240996259,-1.9634064471,0.7703286578,0.7703286578,GGA+U,P2_1,A3BC2D8_mP56_4_6a_2a_4a_16a:Cr-Cu-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_mP56_4_10a_2a_6a_30a:Cr-Cu-Li-O, expected Li3Cr5CuO15 to be Li2Cr3CuO8" +mp-1178207,Li2Cr3CuO8,-7.4260779509,-1.9653847721,0.7683503328,0.7683503328,GGA+U,C2,A3BC2D8_mC112_5_ab5c_abc_4c_16c:Cr-Cu-Li-O,56.0,"Invalid WP multiplicities - A3BC2D8_mC112_5_ab10c_abc_6c_32c:Cr-Cu-Li-O, expected Li6Cr11(CuO16)2 to be Li2Cr3CuO8" +mp-769965,Li2Cr3CuO8,-7.4017307821,-1.9410376033,0.7926975015000001,0.7926975015000001,GGA+U,Cc,A3BC2D8_mC56_9_3a_a_2a_8a:Cr-Cu-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC56_9_5a_a_3a_14a:Cr-Cu-Li-O, expected Li3Cr5CuO14 to be Li2Cr3CuO8" +mp-753310,Li2Cr3CuO8,-7.4037536,-1.9430604212,0.7906746837,0.7906746837,GGA+U,R3m,A3BC2D8_hR42_160_b_a_2a_2a2b:Cr-Cu-Li-O,14.0,A3BC2D8_hR42_160_b_a_2a_2a2b:Cr-Cu-Li-O +mp-780873,Li2Cr3CuO8,-7.4191759129,-1.958482734,0.7752523708,0.7752523708,GGA+U,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Cu-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2ch:Cr-Cu-Li-O, expected Li2Cr3CuO10 to be Li2Cr3CuO8" +mp-754984,Li2Cr3CuO8,-7.3758055468,-1.915112368,0.8186227369,0.8186227369,GGA+U,P6_3mc,A3BC2D8_hP28_186_c_b_ab_ab2c:Cr-Cu-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_hP28_186_c_b_a2b_a2b9c:Cr-Cu-Li-O, expected Li3Cr3CuO30 to be Li2Cr3CuO8" +mp-774683,Li4Cr2Cu3Sb3O16,-6.4948204414,-1.8243408158,0.4301369556,0.4301369556,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cr-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Cr-Cu-Li-O-Sb, expected Li4Cr2Cu3Sb3O20 to be Li4Cr2Cu3Sb3O16" +mp-1178040,Li2Cr3(CuO6)2,-6.904420082,-1.6235955547,0.6749427581,0.6749427581,GGA+U,Pbcn,A3B2C2D12_oP76_60_cd_d_d_6d:Cr-Cu-Li-O,76.0,"Invalid WP multiplicities - A3B2C2D12_oP76_60_2c2d_d_d_21d:Cr-Cu-Li-O, expected LiCr3CuO21 to be Li2Cr3(CuO6)2" +mp-756800,Li3Cr(CuO2)4,-5.99089154,-1.5315070125,0.3184312711,0.3184312711,GGA+U,C2/m,AB4C3D8_mC32_12_a_bcf_de_2ij:Cr-Cu-Li-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_bde_c2f_3i2j:Cr-Cu-Li-O, expected Li5Cr(Cu2O7)2 to be Li3Cr(CuO2)4" +mp-774351,Li3Cr3(CuO6)2,-6.8136712126,-1.7014417684,0.6435466264,0.6435466264,GGA+U,P2_1/c,A3B2C3D12_mP80_14_3e_2e_3e_12e:Cr-Cu-Li-O,80.0,"Invalid WP multiplicities - A3B2C3D12_mP80_14_11e_3e_9e_43e:Cr-Cu-Li-O, expected Li9Cr11Cu3O43 to be Li3Cr3(CuO6)2" +mp-765577,Li6Cr5CuO12,-7.3344132588,-2.2019863523,0.4084766932,0.4084766932,GGA+U,C2/m,A5BC6D12_mC48_12_agh_d_ij_2i2j:Cr-Cu-Li-O,24.0,"Invalid WP multiplicities - A5BC6D12_mC48_12_a2gh_c_2ij_3i4j:Cr-Cu-Li-O, expected Li8Cr7CuO22 to be Li6Cr5CuO12" +mp-755699,Li4CrCu3O8,-5.9649028981,-1.6424111083,0.3173162945,0.3173162945,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Cr-Cu-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_hR48_166_a_e_bd_2c2h:Cr-Cu-Li-O, expected Li4CrCu3O16 to be Li4CrCu3O8" +mp-756836,Li5Cr2Cu5O12,-6.127774435,-1.5983158034,0.4691604669,0.4691604669,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2bc_a2c_6c:Cr-Cu-Li-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2bc_a4c_6c:Cr-Cu-Li-O, expected Li9Cr2Cu5O12 to be Li5Cr2Cu5O12" +mp-754778,Li2CrCuO4,-6.570658495,-1.9010516552,0.5629758831,0.5629758831,GGA+U,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Cr-Cu-Li-O,8.0,ABC2D4_mP8_10_b_g_ce_mn:Cr-Cu-Li-O +mp-771518,Li2CrCuO4,-6.5699968456,-1.9003900058,0.5636375325,0.5636375325,GGA+U,Imma,ABC2D4_oI32_74_a_c_bd_hi:Cr-Cu-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oI32_74_a_c_2b2d_3h4i:Cr-Cu-Li-O, expected Li4CrCuO14 to be Li2CrCuO4" +mp-1178032,Li2CrCuO4,-6.5617028031,-1.8920959633,0.571931575,0.571931575,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Cr-Cu-Li-O,16.0,ABC2D4_tI16_119_a_c_bd_ef:Cr-Cu-Li-O +mp-768828,Li3Cr3CuO8,-7.279546092,-2.0556376007,0.6840724673,0.6840724673,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Cr-Cu-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_2c2h:Cr-Cu-Li-O, expected Li3Cr3CuO16 to be Li3Cr3CuO8" +mp-755623,Li5Cr2Cu3O10,-6.111009966,-1.5802491462,0.6845841637,0.6845841637,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_d2i_5i:Cr-Cu-Li-O,40.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_2b2i_d2i_5i:Cr-Cu-Li-O, expected Li5Cr2(Cu3O5)2 to be Li5Cr2Cu3O10" +mp-753263,Li3Cr2CuO6,-6.95311825,-2.0521013769,0.7093121142000001,0.7093121142000001,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Cr-Cu-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_di_5i:Cr-Cu-Li-O, expected Li3Cr2CuO10 to be Li3Cr2CuO6" +mp-783908,Li4Cr3Cu3(SbO8)2,-6.7436335904,-1.8758665994,0.5234260135000001,0.5234260135000001,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Cu-Li-O-Sb, expected Li4Cr3Cu3(SbO10)2 to be Li4Cr3Cu3(SbO8)2" +mp-756558,Li4Cr3CuO8,-7.1508702981,-2.1341484083,0.5769171598,0.5769171598,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Cr-Cu-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_ae_2c2h:Cr-Cu-Li-O, expected Li4Cr3CuO16 to be Li4Cr3CuO8" +mp-1233526,Sr4MgMn2Ga2O11,-6.9165905305,-2.5589879147,0.155995824,0.155995824,GGA+U,P1,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Mg-Mn-O-Sr,20.0,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Mg-Mn-O-Sr +mp-1234609,Sr4MgMn2Ga2O11,-6.919875726,-2.5622731102,0.1527106285,0.1527106285,GGA+U,P1,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Mg-Mn-O-Sr,20.0,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Mg-Mn-O-Sr +mp-1234993,Sr4MgMn2Ga2O11,-6.824515006,-2.4669123902,0.2480713485,0.2480713485,GGA+U,C2/m,A2BC2D11E4_mC40_12_g_c_f_behij_2i:Ga-Mg-Mn-O-Sr,20.0,"Invalid WP multiplicities - A2BC2D11E4_aP20_2_i_c_ae_bfh6i_4i:Ga-Mg-Mn-O-Sr, expected Sr8MgMn2Ga2O15 to be Sr4MgMn2Ga2O11" +mp-1233975,Sr4MgMn2Ga2O11,-6.881924306,-2.5243216902,0.1906620485,0.1906620485,GGA+U,Fmm2,A2BC2D11E4_oF80_42_c_a_b_abcde_2d:Ga-Mg-Mn-O-Sr,20.0,"Invalid WP multiplicities - A2BC2D11E4_oF80_42_c_a_b_abcde_3d:Ga-Mg-Mn-O-Sr, expected Sr6MgMn2Ga2O11 to be Sr4MgMn2Ga2O11" +mp-1233457,Sr4MgMn2(GaO5)2,-6.9237609663,-2.5971628818,0.0978020624,0.0978020624,GGA+U,P1,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Mg-Mn-O-Sr,19.0,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Mg-Mn-O-Sr +mp-1233238,Sr4MgMn2(GaO5)2,-6.8845649379000005,-2.5579668534,0.1369980908,0.1369980908,GGA+U,P-1,A2BC2D10E4_aP19_2_i_a_cd_5i_2i:Ga-Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_aP19_2_i_a_cd_6i_2i:Ga-Mg-Mn-O-Sr, expected Sr4MgMn2(GaO6)2 to be Sr4MgMn2(GaO5)2" +mp-1233606,Sr4MgMn2(GaO5)2,-6.8320082189,-2.5054101345,0.1895548097,0.1895548097,GGA+U,C2,A2BC2D10E4_mC38_5_c_a_c_2a2b3c_2c:Ga-Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_mC38_5_c_a_c_2a2b5c_4c:Ga-Mg-Mn-O-Sr, expected Sr8MgMn2(GaO7)2 to be Sr4MgMn2(GaO5)2" +mp-1233760,Sr4MgMn2(GaO5)2,-6.9225010132,-2.5959029287,0.0990620155,0.0990620155,GGA+U,Cm,A2BC2D10E4_mC38_8_b_a_b_4a3b_4a:Ga-Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_mC38_8_b_a_b_4a5b_4a:Ga-Mg-Mn-O-Sr, expected Sr4MgMn2(GaO7)2 to be Sr4MgMn2(GaO5)2" +mp-1234916,Sr4MgMn2(GaO5)2,-6.8341710211,-2.5075729366,0.1873920076,0.1873920076,GGA+U,Fmm2,A2BC2D10E4_oF76_42_c_a_c_2ab2cd_2d:Ga-Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_oF76_42_c_a_c_2ab4cd_4d:Ga-Mg-Mn-O-Sr, expected Sr8MgMn2(GaO7)2 to be Sr4MgMn2(GaO5)2" +mp-1233475,Sr4MgMn2(GaO5)2,-6.9262794389,-2.5996813545,0.0952835897,0.0952835897,GGA+U,Fmmm,A2BC2D10E4_oF76_69_h_a_c_fgim_n:Ga-Mg-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_oF76_69_h_a_c_fg2im_n:Ga-Mg-Mn-O-Sr, expected Sr4MgMn2(GaO6)2 to be Sr4MgMn2(GaO5)2" +mp-1219101,SmTiNbBi2O9,-8.2207993307,-2.8696164841,0.0097802786,0.0097802786,GGA,P2_1,A2BC9DE_mP28_4_2a_a_9a_a_a:Bi-Nb-O-Sm-Ti,28.0,"Invalid WP multiplicities - A2BC9DE_mP28_4_4a_a_17a_a_a:Bi-Nb-O-Sm-Ti, expected SmTiNbBi4O17 to be SmTiNbBi2O9" +mp-2234081,Sr2MgMnSbO6,-6.8235079555,-2.4643792503,0.1527620903,0.1527620903,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-Sb-Sr,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-Sb-Sr +mp-2234076,Sr2MgMnSbO6,-6.7379833473,-2.3788546422,0.2382866985,0.2382866985,GGA+U,P-1,ABC6DE2_aP11_2_a_c_3i_d_i:Mg-Mn-O-Sb-Sr,11.0,ABC6DE2_aP11_2_a_c_3i_d_i:Mg-Mn-O-Sb-Sr +mp-1211359,LaMn3Cr4O12,-8.977666762,-2.4579413922,0.0416716399,0.0416716399,GGA+U,Im-3,A4BC3D12_cI40_204_c_a_b_g:Cr-La-Mn-O,20.0,A4BC3D12_cI40_204_c_a_b_g:Cr-La-Mn-O +mp-743745,Ca3La5Mn7CrO24,-8.4338963773,-2.8537834085,0.1353535182,0.1353535182,GGA+U,P1,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Cr-La-Mn-O,40.0,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Cr-La-Mn-O +mp-1049271,CaLaMnCrO6,-8.400211771,-2.8565315695,0.1013094275,0.1013094275,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Mn-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Cr-La-Mn-O +mp-1040818,LaMnCrO6,-8.1700297078,-2.2332294706,0.2869371921,0.2869371921,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mn-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mn-O +mp-1404675,LaMnCrO6,-3.7314228767,2.2053773605,4.7255440232,4.7255440232,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mn-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-La-Mn-O +mp-1666963,La2MnCrO6,-8.921552003,-3.084831079,0.0792071963,0.0792071963,GGA+U,P-1,AB2CD6_aP20_2_ah_2i_be_6i:Cr-La-Mn-O,20.0,"Invalid WP multiplicities - AB2CD6_aP20_2_ah_4i_be_12i:Cr-La-Mn-O, expected La4MnCrO12 to be La2MnCrO6" +mp-1223342,La2MnCrO6,-8.9183255425,-3.0816046185,0.0824336568,0.0824336568,GGA+U,P2_1/c,AB2CD6_mP20_14_a_e_d_3e:Cr-La-Mn-O,20.0,AB2CD6_mP20_14_a_e_b_3e:Cr-La-Mn-O +mp-743861,Ca6La2Mn7CrO24,-8.0170875693,-2.6567551424,0.0729858386,0.0729858386,GGA+U,P-1,A6BC2D7E24_aP40_2_3i_a_i_bcdefgh_12i:Ca-Cr-La-Mn-O,40.0,"Invalid WP multiplicities - A6BC2D7E24_aP40_2_4i_a_i_bcdefgh_22i:Ca-Cr-La-Mn-O, expected Ca8La2Mn7CrO44 to be Ca6La2Mn7CrO24" +mp-755218,Li4Fe3Sn3(TeO8)2,-6.557993115,-1.8969894783,0.0622091118,0.0622091118,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-Sn-Te,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Fe-Li-O-Sn-Te, expected Li4Fe3Sn3(TeO10)2 to be Li4Fe3Sn3(TeO8)2" +mp-1043825,CaLaTiFeO6,-8.5002588463,-3.2015335983,0.0037362585,0.0037362585,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Ti,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Ti +mp-1213128,MnAl2SiO5,-7.7462536892,-2.544928296,0.4556274358,0.4556274358,GGA+U,Ccce,A2BC5D_oC144_68_2i_i_5i_i:Al-Mn-O-Si,72.0,A2BC5D_oC144_68_2i_i_5i_i:Al-Mn-O-Si +mp-1154487,Mn3Al(SiO4)3,-8.1794915413,-2.554868366,0.249789387,0.249789387,GGA+U,Ia-3,AB3C12D3_cI152_206_a_d_2e_d:Al-Mn-O-Si,76.0,"Invalid WP multiplicities - AB3C12D3_cI152_206_a_d_19e_d:Al-Mn-O-Si, expected Mn3Al(SiO38)3 to be Mn3Al(SiO4)3" +mp-1210817,MnAlSiO5,-8.3201657878,-2.9368716993,0.0052647279,0.0052647279,GGA+U,Pnnm,ABC5D_oP32_58_g_e_3gh_g:Al-Mn-O-Si,32.0,ABC5D_oP32_58_g_e_3gh_g:Al-Mn-O-Si +mp-1210830,Mn2Al3Si3O14,-8.0072836323,-2.7759038995000003,0.2282950045,0.2282950045,GGA+U,P2_1/m,A3B2C14D3_mP44_11_abc_2e_8e3f_3e:Al-Mn-O-Si,44.0,A3B2C14D3_mP44_11_abc_2e_8e3f_3e:Al-Mn-O-Si +mp-731872,MnAl6Si4O19,-8.0427230003,-3.1319287368,0.0970817655,0.0970817655,GGA+U,P2_1/m,A6BC19D4_mP60_11_2e2f_e_11e4f_4e:Al-Mn-O-Si,60.0,A6BC19D4_mP60_11_2e2f_e_11e4f_4e:Al-Mn-O-Si +mp-1221930,Mn9Al8Fe3(SiO4)12,-8.418684945,-2.913963915,0.0136713807,0.0136713807,GGA+U,C2,A8B3C9D48E12_mC160_5_4c_ac_a2b3c_24c_2a2b4c:Al-Fe-Mn-O-Si,80.0,"Invalid WP multiplicities - A8B3C9D48E12_mC160_5_6c_ac_a2b3c_36c_2a2b4c:Al-Fe-Mn-O-Si, expected Mn3Al4Fe(SiO6)4 to be Mn9Al8Fe3(SiO4)12" +mp-1204710,MnAl2(SiO5)2,-7.7784925305,-2.6471131889,0.2000997468,0.2000997468,GGA+U,Ccce,A2BC10D2_oC120_68_ef_e_5i_i:Al-Mn-O-Si,60.0,A2BC10D2_oC120_68_ef_e_5i_i:Al-Mn-O-Si +mp-6480,Mn3Al2(SiO4)3,-8.4870676467,-2.9563968387,0.0095273689,0.0095273689,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Mn-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Mn-O-Si +mp-19477,Mn2Al4Si5O18,-8.3340303248,-3.1797778815,0.0,-0.0148334474,GGA+U,Cccm,A4B2C18D5_oC116_66_kl_g_3l3m_a2l:Al-Mn-O-Si,58.0,"Invalid WP multiplicities - A4B2C18D5_oC116_66_kl_g_3l5m_a5l:Al-Mn-O-Si, expected Mn2Al4Si11O26 to be Mn2Al4Si5O18" +mp-1009592,CrFeTe,-7.0996926633,-0.0109011389,0.2477106558,0.2477106558,GGA,F-43m,ABC_cF12_216_a_c_b:Cr-Fe-Te,3.0,ABC_cF12_216_a_c_b:Cr-Fe-Te +mp-773518,Li4Cr3Fe3(TeO8)2,-7.247376705,-1.9817149667,0.0351553913,0.0351553913,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Fe-Li-O-Te,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Fe-Li-O-Te, expected Li4Cr3Fe3(TeO10)2 to be Li4Cr3Fe3(TeO8)2" +mp-1226257,CrFeTeO6,-7.4603643017,-1.7996413194,0.0318699592,0.0318699592,GGA+U,P4_2nm,ABC6D_tP18_102_a_a_3c_a:Cr-Fe-O-Te,18.0,ABC6D_tP18_102_a_a_3c_a:Cr-Fe-O-Te +mp-1226360,Cr(FeTe2)2,-5.7731014171,-0.1779137795,0.2360768949,0.2360768949,GGA,P2/m,AB2C4_mP7_10_d_bc_mn:Cr-Fe-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_e_bc_m2n:Cr-Fe-Te, expected Cr(FeTe3)2 to be Cr(FeTe2)2" +mp-1237584,Cr(FeTe2)2,-5.8602354786,-0.265047841,0.1489428334,0.1489428334,GGA,P2/m,AB2C4_mP7_10_c_be_mn:Cr-Fe-Te,7.0,"Invalid WP multiplicities - AB2C4_mP7_10_b_cd_m2n:Cr-Fe-Te, expected Cr(FeTe3)2 to be Cr(FeTe2)2" +mp-757950,Cr3Fe3(TeO8)2,-7.5311798692,-1.7060616522,0.1078289253,0.1078289253,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cr-Fe-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cr-Fe-O-Te, expected Cr3Fe3(TeO10)2 to be Cr3Fe3(TeO8)2" +mp-1025380,Cr2FeTe4,-6.1177728314,-0.3535814424,0.0784041269,0.0784041269,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Fe-Te,7.0,A2BC4_mC14_12_i_a_2i:Cr-Fe-Te +mp-756425,Li4Ti3Cr3(CuO8)2,-7.6355684129,-2.3631847469,0.5959049059,0.5959049059,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Cu-Li-O-Ti,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Cu-Li-O-Ti +mp-849652,Li3Ti2Cu3O10,-6.67339665,-2.0466044413,0.0883693472,0.0883693472,GGA,P-1,A3B3C10D2_aP18_2_bi_di_5i_i:Cu-Li-O-Ti,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_d2i_9i_i:Cu-Li-O-Ti, expected Li5Ti2(CuO6)3 to be Li3Ti2Cu3O10" +mp-1411449,Li3Ti2Cu3O10,-4.7853122106,-0.1585200019,1.9764537867,1.9764537867,GGA,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Cu-Li-O-Ti,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_e2i_9i_i:Cu-Li-O-Ti, expected Li5Ti2(CuO6)3 to be Li3Ti2Cu3O10" +mp-770793,Li5Ti2Cu5O12,-6.3327735638,-1.9497778866,0.0978640112,0.0978640112,GGA,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Cu-Li-O-Ti,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Cu-Li-O-Ti, expected Li9Ti2Cu5O12 to be Li5Ti2Cu5O12" +mp-772309,Li3Ti(CuO2)4,-6.1217865537,-1.7722492421,0.0628132622,0.0628132622,GGA,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Cu-Li-O-Ti,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ace_d2f_3i2j_b:Cu-Li-O-Ti, expected Li5Ti(Cu2O7)2 to be Li3Ti(CuO2)4" +mp-774874,Li3Ti2CuO6,-7.2581889708,-2.6500980066,0.1052718794,0.1052718794,GGA,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Cu-Li-O-Ti,12.0,"Invalid WP multiplicities - AB3C6D2_mC24_12_a_di_5i_i:Cu-Li-O-Ti, expected Li3Ti2CuO10 to be Li3Ti2CuO6" +mp-780243,Li5Ti2Cu3O10,-6.5676722295,-2.212666955,0.0558171045,0.0558171045,GGA,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Cu-Li-O-Ti,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Cu-Li-O-Ti, expected Li9Ti2(CuO6)3 to be Li5Ti2Cu3O10" +mp-1177887,Li2TiCuO4,-6.801875095,-2.3519626869,0.1208379981,0.1208379981,GGA,P2/m,AB2C4D_mP8_10_b_ch_mn_d:Cu-Li-O-Ti,8.0,"Invalid WP multiplicities - AB2C4D_mP8_10_b_ce_2m2n_g:Cu-Li-O-Ti, expected Li2TiCuO8 to be Li2TiCuO4" +mp-754664,Li2TiCuO4,-6.8352382538,-2.3853258456,0.0874748394,0.0874748394,GGA,Imma,AB2C4D_oI32_74_a_bc_hi_d:Cu-Li-O-Ti,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_3h4i_d:Cu-Li-O-Ti, expected Li4TiCuO14 to be Li2TiCuO4" +mp-757583,Li2TiCuO4,-6.8257503362000005,-2.3758379281,0.0969627569,0.0969627569,GGA,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Cu-Li-O-Ti,8.0,"Invalid WP multiplicities - AB2C4D_tI16_119_a_bc_2e2f_d:Cu-Li-O-Ti, expected Li2TiCuO8 to be Li2TiCuO4" +mp-1228629,Ba2FeCoClF7,-6.0624975492,-3.175399356,0.0022324571,0.0022324571,GGA+U,P2_1/m,A2BCD7E_mP24_11_2e_e_e_e3f_e:Ba-Cl-Co-F-Fe,24.0,A2BCD7E_mP24_11_2e_e_e_e3f_e:Ba-Cl-Co-F-Fe +mp-541648,Ba2FeCoF9,-6.1214412869,-3.3045490106,0.0006797302,0.0006797302,GGA+U,P2_1/c,A2BC9D_mP52_14_2e_e_9e_e:Ba-Co-F-Fe,52.0,A2BC9D_mP52_14_2e_e_9e_e:Ba-Co-F-Fe +mp-1214722,Ba2Fe2ClF7,-6.232305555,-3.2317320773,0.00603056,0.00603056,GGA+U,P2_1/m,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Fe,24.0,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Fe +mp-556007,Ba2Co2ClF7,-5.8767603071,-3.1031373985,0.0143635904,0.0143635904,GGA+U,P2_1/m,A2BC2D7_mP24_11_2e_e_2e_e3f:Ba-Cl-Co-F,24.0,"Invalid WP multiplicities - A2BC2D7_mP24_11_2e_e_2e_2e10f:Ba-Cl-Co-F, expected Ba2Co2ClF22 to be Ba2Co2ClF7" +mp-1218836,Sr2Eu2TlNi2O9,-7.3936347675,-2.2476281791,0.0324460113,0.0324460113,GGA+U,Fmm2,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Eu-Ni-O-Sr-Tl,16.0,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Eu-Ni-O-Sr-Tl +mp-1187174,SrEuTl2,-4.597758755,-0.4298133683,0.0,-0.073262334,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Eu-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Eu-Sr-Tl +mp-22543,Sr2GdCu3(PbO4)2,-6.8497482588,-2.0527774471,0.0244317394,0.0244317394,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Gd-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2ghi_h_g:Cu-Gd-O-Pb-Sr, expected Sr2GdCu3(PbO5)2 to be Sr2GdCu3(PbO4)2" +mp-1018705,GdCuPb,-7.65225947,-0.3562674767,0.0,-0.019359894,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Cu-Gd-Pb,6.0,ABC_hP6_194_c_a_d:Cu-Gd-Pb +mp-22301,Sr2DyCu3(PbO4)2,-6.2737021775,-2.0685648283,0.0264989618,0.0264989618,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Dy-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2ghi_h_g:Cu-Dy-O-Pb-Sr, expected Sr2DyCu3(PbO5)2 to be Sr2DyCu3(PbO4)2" +mp-769222,Dy2Pb2O7,-7.2122490086,-2.5517318451,0.0,-0.0194414341,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Pb,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Dy-O-Pb, expected DyPbO10 to be Dy2Pb2O7" +mp-1217715,Tb2Ga5Cu3,-4.117982394,-0.4472991617,0.0,-0.015011525,GGA,P-4m2,A3B5C2_tP10_115_abc_d2g_g:Cu-Ga-Tb,10.0,"Invalid WP multiplicities - A3B5C2_tP10_115_abc_d4g_g:Cu-Ga-Tb, expected Tb2(Ga3Cu)3 to be Tb2Ga5Cu3" +mp-1217694,Tb2Ga3Cu,-4.3408472767,-0.5988094537,0.0,-0.0308108207,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Tb,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Tb +mp-541327,Sr2TbGaCu2O7,-6.6409310900000005,-2.4973400632,0.015354745,0.015354745,GGA,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Tb,26.0,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Tb +mp-1041326,BaZnSbF7,-5.1560532308,-3.0872459745,0.056016748,0.056016748,GGA,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Sb-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Sb-Zn, expected BaZnSbF23 to be BaZnSbF7" +mp-1045711,Ba2ZnCuSb2F14,-5.1851068313,-2.974326422,0.050427153,0.050427153,GGA,C2/c,A2BC14D2E_mC80_15_f_a_7f_f_e:Ba-Cu-F-Sb-Zn,40.0,"Invalid WP multiplicities - A2BC14D2E_mC80_15_f_c_24f_f_e:Ba-Cu-F-Sb-Zn, expected Ba2ZnCuSb2F48 to be Ba2ZnCuSb2F14" +mp-1214559,Ba2ZnSb2F,-3.253178675,-0.7086495188,0.9618393171,0.9618393171,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Ba-F-Sb-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:Ba-F-Sb-Zn +mp-1235553,Ba2LiEu(CuO2)4,-6.4528879337,-1.9544997515,0.0017880618,0.0017880618,GGA,P1,A2B4CDE8_aP16_1_2a_4a_a_a_8a:Ba-Cu-Eu-Li-O,16.0,A2B4CDE8_aP16_1_2a_4a_a_a_8a:Ba-Cu-Eu-Li-O +mp-1236228,Ba2LiEu(CuO2)4,-6.3605544881,-1.8621663058,0.0941215074,0.0941215074,GGA,Pm,A2B4CDE8_mP16_6_2a_4b_a_b_2a6b:Ba-Cu-Eu-Li-O,16.0,A2B4CDE8_mP16_6_2a_4b_a_b_2a6b:Ba-Cu-Eu-Li-O +mp-1236073,Ba2LiEu(CuO2)4,-6.2958108131,-1.7974226308,0.1588651824,0.1588651824,GGA,Cm,A2B4CDE8_mC32_8_b_2b_a_a_4b:Ba-Cu-Eu-Li-O,16.0,A2B4CDE8_mC32_8_b_2b_a_a_4b:Ba-Cu-Eu-Li-O +mp-1235120,Ba2LiEu(CuO2)4,-6.3807643175,-1.8823761352,0.073911678,0.073911678,GGA,P2/m,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Eu-Li-O,16.0,A2B4CDE8_mP16_10_m_2n_a_c_m3n:Ba-Cu-Eu-Li-O +mp-1235413,Ba2LiEu(CuO2)4,-6.3630489125,-1.8646607302,0.091627083,0.091627083,GGA,Amm2,A2B4CDE8_oC32_38_2a_4b_a_a_2a6b:Ba-Cu-Eu-Li-O,16.0,A2B4CDE8_oC32_38_2a_4b_a_a_2a6b:Ba-Cu-Eu-Li-O +mp-675781,Cu3(Mo3S4)4,-7.5901328126,-0.8601773545,0.0700591606,0.0700591606,GGA,P1,A3B12C16_aP31_1_3a_12a_16a:Cu-Mo-S,31.0,A3B12C16_aP31_1_3a_12a_16a:Cu-Mo-S +mp-1224924,FeRe2(MoS4)2,-7.6779087954,-0.8977568927,0.0863361308,0.0863361308,GGA,Imm2,AB2C2D8_oI26_44_a_c_d_2c2d:Fe-Mo-Re-S,13.0,AB2C2D8_oI26_44_a_c_d_2c2d:Fe-Mo-Re-S +mp-682554,FeCu4Re14(Mo3S20)2,-7.4939840111,-0.8844128755,0.0349139942,0.0349139942,GGA,Cm,A4BC6D14E40_mC130_8_4a_a_6a_4a5b_20a10b:Cu-Fe-Mo-Re-S,65.0,"Invalid WP multiplicities - A4BC6D14E40_mC130_8_4a_a_6a_4a7b_20a20b:Cu-Fe-Mo-Re-S, expected FeCu4Re18(MoS10)6 to be FeCu4Re14(Mo3S20)2" +mp-675745,Cu(Mo3S4)2,-7.7114888817,-0.8938417973,0.0674026017,0.0674026017,GGA,P1,AB6C8_aP30_1_2a_12a_16a:Cu-Mo-S,30.0,AB6C8_aP30_1_2a_12a_16a:Cu-Mo-S +mp-1199685,Cu2(ReS2)3,-7.0440043745,-0.6484867294000001,0.0911580714,0.0911580714,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Cu-Re-S,44.0,A2B3C6_mC88_15_2ef_3f_6f:Cu-Re-S +mp-1194007,FeCu4BiPbS6,-4.9268642035,-0.5238885657,0.0289443199,0.0289443199,GGA,Pmc2_1,AB4CDE6_oP26_26_a_a3b_a_b_3a3b:Bi-Cu-Fe-Pb-S,26.0,AB4CDE6_oP26_26_a_a3b_a_b_3a3b:Bi-Cu-Fe-Pb-S +mp-1516815,Ba2DyBiO6,-7.031215286,-2.8346794742,0.0,-0.0909994317,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Dy-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Dy-O +mp-545659,Ba2DyBiO6,-7.028589381,-2.8320535693,0.002625905,-0.0883735267,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Dy-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Dy-O +mp-1208858,Sr2DyBiO6,-7.014212812,-2.8635732976,0.0,-0.054433979,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Dy-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Dy-O-Sr +mp-1522161,Sr2DyBiO6,-6.9812101172,-2.8305706028,0.0330026948,-0.0214312842,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Dy-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Dy-O-Sr +mp-1522016,Sr2DyBiO6,-6.9163511710000005,-2.7657116566,0.097861641,0.043427662,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Dy-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Dy-O-Sr +mp-1516677,BaSrDyBiO6,-7.0067720783,-2.8331844152,0.0159419707,0.0159419707,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Dy-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Dy-O-Sr +mp-1516726,BaSrDyBiO6,-6.969960787,-2.7963731239,0.052753262,0.052753262,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Dy-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Dy-O-Sr +mp-12641,Ba2HoNbO6,-8.291220755,-3.4710411493,0.0,-0.0442747038,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ho-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ho-Nb-O +mp-2217348,Ba2HoMgNbO6,-7.3400423627,-2.8125808984000003,0.4149701507,0.4149701507,GGA,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Ho-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e2l:Ba-Ho-Mg-Nb-O, expected Ba2HoMgNbO12 to be Ba2HoMgNbO6" +mp-2217913,Ba2HoMgNbO6,-7.3770458245,-2.8495843602,0.3779666889,0.3779666889,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Ho-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_5b:Ba-Ho-Mg-Nb-O, expected Ba2HoMgNbO15 to be Ba2HoMgNbO6" +mp-2218073,Ba2HoMgNbO6,-7.3165919818,-2.7891305175000003,0.4384205316,0.4384205316,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Ho-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_4b:Ba-Ho-Mg-Nb-O, expected Ba2HoMgNbO12 to be Ba2HoMgNbO6" +mp-2218174,Sr2MgCu3(ClO2)2,-4.923081705,-1.526355444,0.5726717375,0.5726717375,GGA,I4/mmm,A2B3CD4E2_tI24_139_d_ac_b_h_e:Cl-Cu-Mg-O-Sr,12.0,A2B3CD4E2_tI24_139_d_ac_b_h_e:Cl-Cu-Mg-O-Sr +mp-2219390,MgCu4(ClO)4,-4.6143011215000005,-1.1390697204,0.0914466973,0.0914466973,GGA,P1,A4B4CD4_aP13_1_4a_4a_a_4a:Cl-Cu-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:Cl-Cu-Mg-O +mp-2218430,MgCu4(ClO3)2,-5.0165718,-1.0647016217,0.1289069083,0.1289069083,GGA,C2/m,A2B4CD6_mC26_12_i_acf_b_ij:Cl-Cu-Mg-O,13.0,"Invalid WP multiplicities - A2B4CD6_mC26_12_i_bce_a_2i2j:Cl-Cu-Mg-O, expected MgCu4(ClO6)2 to be MgCu4(ClO3)2" +mp-2218499,MgCu4(ClO3)2,-5.0675823285,-1.1157121502,0.0778963798,0.0778963798,GGA,R-3m,A2B4CD6_hR39_166_c_ad_b_h:Cl-Cu-Mg-O,13.0,A2B4CD6_hR39_166_c_ad_b_h:Cl-Cu-Mg-O +mp-2227379,Sr2MgCu(ClO)2,-4.6860313975,-1.8524158514,0.7845154392,0.7845154392,GGA,I-4m2,A2BCD2E2_tI16_119_e_a_c_f_e:Cl-Cu-Mg-O-Sr,8.0,A2BCD2E2_tI16_119_e_a_c_f_e:Cl-Cu-Mg-O-Sr +mp-1219351,Sm4Fe31(CoC2)3,-8.1900026266,-0.0504128905,0.0382123958,0.0382123958,GGA,P1,A6B3C31D4_aP44_1_6a_3a_31a_4a:C-Co-Fe-Sm,44.0,A6B3C31D4_aP44_1_6a_3a_31a_4a:C-Co-Fe-Sm +mp-1224829,Ga2Co6C,-6.5255390278,-0.0883429936,0.0369915625,0.0369915625,GGA,P4/mmm,AB6C2_tP9_123_a_efg_h:C-Co-Ga,9.0,"Invalid WP multiplicities - AB6C2_tP9_123_a_2e2fg_h:C-Co-Ga, expected Ga2Co10C to be Ga2Co6C" +mp-1219314,Sm2Fe5Co12C,-7.371547792,-0.0557599244,0.0433521323,0.0433521323,GGA,C2/m,AB12C5D2_mC40_12_a_gi2j_dei_i:C-Co-Fe-Sm,20.0,"Invalid WP multiplicities - AB12C5D2_mC40_12_a_2g2i3j_dfi_i:C-Co-Fe-Sm, expected Sm2Fe5Co20C to be Sm2Fe5Co12C" +mp-1189053,Fe2CoC,-8.2483213969,0.07093503,0.1134773281,0.1134773281,GGA,Pnma,ABC2_oP16_62_c_c_d:C-Co-Fe,16.0,ABC2_oP16_62_c_c_d:C-Co-Fe +mp-1219242,Sm2Fe15Co2C3,-7.9513655095,0.1572764217,0.2502551965,0.2502551965,GGA,Cm,A3B2C15D2_mC44_8_ab_b_5a5b_2a:C-Co-Fe-Sm,22.0,"Invalid WP multiplicities - A3B2C15D2_mC44_8_a2b_b_5a9b_2a:C-Co-Fe-Sm, expected Sm2Fe23Co2C5 to be Sm2Fe15Co2C3" +mp-1219288,Sm4Fe27Co7C2,-7.9269386508,-0.0324268317,0.0333970965,0.0333970965,GGA,Cm,A2B7C27D4_mC80_8_2a_3a2b_7a10b_4a:C-Co-Fe-Sm,40.0,"Invalid WP multiplicities - A2B7C27D4_mC80_8_2a_3a3b_7a20b_4a:C-Co-Fe-Sm, expected Sm4Fe47Co9C2 to be Sm4Fe27Co7C2" +mp-1219365,Sm2Ga2Fe12Co3C,-7.461983367,-0.0776214814,0.0884768435,0.0884768435,GGA,C2/m,AB3C12D2E2_mC40_12_a_de_gi2j_i_i:C-Co-Fe-Ga-Sm,20.0,"Invalid WP multiplicities - AB3C12D2E2_mC40_12_a_df_2g2i3j_i_i:C-Co-Fe-Ga-Sm, expected Sm2Ga2Fe20Co3C to be Sm2Ga2Fe12Co3C" +mp-1518473,NaEuCr4O12,-7.8923110828,-1.8060898879,0.3013111933,0.3013111933,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Cr-Eu-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Cr-Eu-Na-O, expected NaEuCr4O18 to be NaEuCr4O12" +mp-1516449,Eu2CrSbO6,-9.023792525,-2.6261740672,0.038672095,0.038672095,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Cr-Eu-O-Sb +mp-1881105,LaCrNiO6,-7.4674857733,-1.9064498264,0.2544165588,0.2544165588,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-La-Ni-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-La-Ni-O +mp-1446049,LaCrNiO6,-4.0031120422,1.5579239047,3.7187902899,3.7187902899,GGA+U,P1,ABCD6_aP9_1_a_a_a_6a:Cr-La-Ni-O,9.0,ABCD6_aP9_1_a_a_a_6a:Cr-La-Ni-O +mp-1218698,Sr2La2CrNiO8,-7.7773931464,-2.9018435067,0.0511474373,0.0511474373,GGA+U,Amm2,AB2CD8E2_oC28_38_a_ab_b_2a2bf_ab:Cr-La-Ni-O-Sr,14.0,AB2CD8E2_oC28_38_a_ab_b_2a2bf_ab:Cr-La-Ni-O-Sr +mp-1173211,Sr4La4Cr(NiO5)3,-7.54953006,-2.820056341,0.0652103011,0.0652103011,GGA+U,P2/m,AB4C3D15E4_mP27_10_b_mn_em_acd2m4n_mn:Cr-La-Ni-O-Sr,27.0,"Invalid WP multiplicities - AB4C3D15E4_mP27_10_f_mn_e2m_acd4m8n_mn:Cr-La-Ni-O-Sr, expected Sr4La4CrNi5O27 to be Sr4La4Cr(NiO5)3" +mp-754249,Li3ZrNb(TeO6)2,-7.09744083,-2.3594065883,0.0212472312,0.0212472312,GGA,P1,A3BC12D2E_aP19_1_3a_a_12a_2a_a:Li-Nb-O-Te-Zr,19.0,A3BC12D2E_aP19_1_3a_a_12a_2a_a:Li-Nb-O-Te-Zr +mp-6782,Li2ZrTeO6,-7.016326739,-2.4974282866,0.0123018183,0.0123018183,GGA,R3,A2B6CD_hR30_146_2a_2b_a_a:Li-O-Te-Zr,10.0,"Invalid WP multiplicities - A2B6CD_hR30_146_2a_3b_a_a:Li-O-Te-Zr, expected Li2ZrTeO9 to be Li2ZrTeO6" +mp-756177,Li4ZrNb(TeO6)2,-6.9733306445,-2.3767519716,0.0578792014,0.0578792014,GGA,P1,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Nb-O-Te-Zr,20.0,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Nb-O-Te-Zr +mp-695434,Li7Zr3Nb(TeO6)4,-7.0557711908,-2.4301142769,0.0167325094,0.0167325094,GGA,P1,A7BC24D4E3_aP78_1_14a_2a_48a_8a_6a:Li-Nb-O-Te-Zr,78.0,A7BC24D4E3_aP78_1_14a_2a_48a_8a_6a:Li-Nb-O-Te-Zr +mp-766103,Li7Zr3Nb(TeO6)4,-7.0545563579,-2.4288994441,0.0179473422,0.0179473422,GGA,R3,A7BC24D4E3_hR117_146_7a_a_8b_4a_3a:Li-Nb-O-Te-Zr,39.0,"Invalid WP multiplicities - A7BC24D4E3_hR117_146_7a_a_21b_4a_3a:Li-Nb-O-Te-Zr, expected Li7Zr3NbTe4O63 to be Li7Zr3Nb(TeO6)4" +mp-1226359,Cr8FeCo2CuS16,-6.9357988593,-0.8574616771,0.0643627817,0.0643627817,GGA,R3m,A2B8CDE16_hR84_160_2a_2a2b_a_a_4a4b:Co-Cr-Cu-Fe-S,28.0,"Invalid WP multiplicities - A2B8CDE16_hR84_160_2a_2a6b_a_a_4a12b:Co-Cr-Cu-Fe-S, expected Cr20FeCo2CuS40 to be Cr8FeCo2CuS16" +mp-1226265,Cr4CoCuS8,-6.8405686186,-0.9183319557,0.000187384,0.000187384,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Cu-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Cu-S +mp-1226300,Cr4FeCoS8,-7.0684583629,-0.8340206614000001,0.0890237935,0.0890237935,GGA,F-43m,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Fe-S,14.0,AB4CD8_cF56_216_a_e_c_2e:Co-Cr-Fe-S +mp-1227165,Ca4Ti3Si4SnO20,-8.2261725134,-3.3401258331,0.0041523292,0.0041523292,GGA,P-1,A4B20C4DE3_aP32_2_2i_10i_2i_b_ei:Ca-O-Si-Sn-Ti,32.0,"Invalid WP multiplicities - A4B20C4DE3_aP32_2_3i_19i_3i_b_ei:Ca-O-Si-Sn-Ti, expected Ca6Ti3Si6SnO38 to be Ca4Ti3Si4SnO20" +mp-1227137,Ca4TiSi4Sn3O20,-7.7136603322,-3.070483662,0.0083571569,0.0083571569,GGA,P-1,A4B20C4D3E_aP32_2_2i_10i_2i_bi_e:Ca-O-Si-Sn-Ti,32.0,"Invalid WP multiplicities - A4B20C4D3E_aP32_2_3i_19i_3i_bi_e:Ca-O-Si-Sn-Ti, expected Ca6TiSi6Sn3O38 to be Ca4TiSi4Sn3O20" +mp-1227786,Ca2TiSi2SnO10,-7.9697734119,-3.2051617366,0.006397754,0.006397754,GGA,P-1,A2B10C2DE_aP16_2_i_5i_i_a_b:Ca-O-Si-Sn-Ti,16.0,"Invalid WP multiplicities - A2B10C2DE_aP16_2_i_9i_i_a_b:Ca-O-Si-Sn-Ti, expected Ca2TiSi2SnO18 to be Ca2TiSi2SnO10" +mp-1516590,BaSrNbInO6,-7.559360894,-2.9452019509,0.0187667245,0.0187667245,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-In-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-In-Nb-O-Sr +mp-1210268,NaGeSb5O,-4.2638087681,-0.3216527607,0.2482577178,0.2482577178,GGA,C2/c,ABCD5_mC32_15_c_e_e_e2f:Ge-Na-O-Sb,16.0,ABCD5_mC32_15_a_e_e_e2f:Ge-Na-O-Sb +mp-1325293,Mg3Ge3(SbO6)2,-6.4457922331,-2.1313826966,0.2284906554,0.2284906554,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Sb,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Sb +mp-6526,NaGeSbO5,-6.43265557,-2.0816558269,0.0,-0.0140385529,GGA,C2/c,ABC5D_mC32_15_e_e_e2f_a:Ge-Na-O-Sb,16.0,ABC5D_mC32_15_e_e_e2f_c:Ge-Na-O-Sb +mp-8341,NaGeSbO5,-6.4138106606,-2.0628109175,0.0188449094,0.0048063565,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Ge-Na-O-Sb,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_4a_4a_13a_3a:Ge-Na-O-Sb, expected Na4Ge4Sb3O13 to be NaGeSbO5" +mp-2229266,Na2MgGe2(SbO5)2,-6.2749508241,-2.0857581218,0.1038827679,0.1038827679,GGA,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb +mp-2229623,Na2MgGe2(SbO5)2,-6.2683856341,-2.0791929318,0.1104479579,0.1104479579,GGA,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb +mp-2229864,Na2MgGe2(SbO5)2,-6.2800544041,-2.0908617018,0.0987791879,0.0987791879,GGA,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Ge-Mg-Na-O-Sb +mp-1516450,EuMnNbSnO6,-8.815676058,-2.4946734325,0.1830728061,0.1830728061,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Mn-Nb-O-Sn +mp-2230347,MgFe4(TeO6)2,-6.9743407353,-1.6518543557,0.1567657313,0.1567657313,GGA+U,P2,A4BC12D2_mP19_3_2b2c_a_6e_bc:Fe-Mg-O-Te,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_3_2a2b_c_9e_ab:Fe-Mg-O-Te, expected MgFe4(TeO9)2 to be MgFe4(TeO6)2" +mp-2230032,MgFe4(TeO6)2,-6.9436217611,-1.6211353815,0.1874847055,0.1874847055,GGA+U,Amm2,A4BC12D2_oC38_38_2c_a_2b2cdf_ab:Fe-Mg-O-Te,19.0,"Invalid WP multiplicities - A4BC12D2_oC38_38_4c_a_2b4cd2f_ab:Fe-Mg-O-Te, expected MgFe8(TeO10)2 to be MgFe4(TeO6)2" +mp-2230542,MgFe4(TeO6)2,-6.9742878842,-1.6518015046,0.1568185823,0.1568185823,GGA+U,P-4,A4BC12D2_tP19_81_2g_a_3h_g:Fe-Mg-O-Te,19.0,"Invalid WP multiplicities - A4BC12D2_tP19_81_3g_a_7h_g:Fe-Mg-O-Te, expected MgFe6(TeO14)2 to be MgFe4(TeO6)2" +mp-1043807,LaFeTeO6,-7.3246256244,-2.1880182382,0.1665246547,0.1341571101,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-Te,18.0,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-Te +mp-1223010,LaFeTeO6,-7.3085070928,-2.1718997066,0.1826431864,0.1502756418,GGA+U,C2/c,ABC6D_mC36_15_e_a_3f_e:Fe-La-O-Te,18.0,"Invalid WP multiplicities - ABC6D_mC36_15_e_c_12f_e:Fe-La-O-Te, expected LaFeTeO24 to be LaFeTeO6" +mp-1297758,LaFeTeO6,-7.4911502792,-2.354542893,0.0,-0.0323675446,GGA+U,P-31c,ABC6D_hP18_163_c_b_i_d:Fe-La-O-Te,36.0,ABC6D_hP18_163_c_b_i_d:Fe-La-O-Te +mp-2230409,La2MgFe2(TeO6)2,-7.2622257511,-2.3117408562,0.1397114323,0.1397114323,GGA+U,P1,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-Te,19.0,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-Te +mp-2231680,La2MgFe2(TeO6)2,-7.2547930463,-2.3043081515,0.1471441371,0.1471441371,GGA+U,P1,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-Te,19.0,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-Te +mp-1233693,La2MgFe2(TeO6)2,-7.2943260121,-2.3438411173,0.1076111713,0.1076111713,GGA+U,P3,A2B2CD12E2_hP19_143_ab_2c_a_4d_ab:Fe-La-Mg-O-Te,19.0,A2B2CD12E2_hP19_143_ab_2c_a_4d_ab:Fe-La-Mg-O-Te +mp-1234219,La2MgFe2(TeO6)2,-7.3111932358,-2.360708341,0.0907439476,0.0907439476,GGA+U,P312,A2B2CD12E2_hP19_149_ad_i_e_2l_bc:Fe-La-Mg-O-Te,19.0,"Invalid WP multiplicities - A2B2CD12E2_hP19_149_ad_i_e_3l_bc:Fe-La-Mg-O-Te, expected La2MgFe2(TeO9)2 to be La2MgFe2(TeO6)2" +mp-1046612,Mg4Fe5(TeO6)3,-6.8315364958,-1.9241518048,0.1288677812,0.1288677812,GGA+U,C2,A5B4C18D3_mC120_5_ab4c_4c_18c_3c:Fe-Mg-O-Te,60.0,"Invalid WP multiplicities - A5B4C18D3_mC120_5_ab8c_7c_36c_4c:Fe-Mg-O-Te, expected Mg7Fe9(TeO9)4 to be Mg4Fe5(TeO6)3" +mp-1522056,CaEuTiSnO6,-8.395106841,-3.0103270591,0.1126504535,0.1126504535,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sn-Ti +mp-1519411,CaEuTi4O12,-8.77180673,-3.0382048255,0.1654478297,0.1654478297,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ca-Eu-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ca-Eu-O-Ti, expected CaEuTi4O18 to be CaEuTi4O12" +mp-1221026,NaGd3Ti2(SbO7)2,-9.3413770064,-3.1207624389,0.0037998184,-0.0153018393,GGA,C2/m,A3BC14D2E2_mC44_12_af_c_3i2j_e_bd:Gd-Na-O-Sb-Ti,22.0,"Invalid WP multiplicities - A3BC14D2E2_mC44_12_ae_c_5i6j_f_bd:Gd-Na-O-Sb-Ti, expected NaGd3Ti2(SbO17)2 to be NaGd3Ti2(SbO7)2" +mp-40451,NaGd3Ti2(SbO7)2,-9.3451768248,-3.1245622573,0.0,-0.0191016577,GGA,P2/c,A3BC14D2E2_mP44_13_aef_c_7g_be_df:Gd-Na-O-Sb-Ti,44.0,"Invalid WP multiplicities - A3BC14D2E2_mP44_13_aef_c_27g_2b2e_df:Gd-Na-O-Sb-Ti, expected NaGd3Ti2(Sb2O27)2 to be NaGd3Ti2(SbO7)2" +mp-753159,Li4Nb2Fe3Te3O16,-7.1083373829,-2.0431480173,0.0936518214,0.0936518214,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-Te,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-Te +mp-616481,NbFeTe2,-6.7509830894,-0.5364985802000001,0.0203308531,0.0203308531,GGA,Pmna,ABC2_oP16_53_h_e_gh:Fe-Nb-Te,16.0,"Invalid WP multiplicities - ABC2_oP16_53_h_e_3g2h:Fe-Nb-Te, expected NbFeTe5 to be NbFeTe2" +mp-1198610,Nb4FeTe4,-7.4505314539,-0.6229242380000001,0.0,-0.0521169632,GGA,Pbam,AB4C4_oP36_55_e_2g2h_2g2h:Fe-Nb-Te,36.0,AB4C4_oP36_55_e_2g2h_2g2h:Fe-Nb-Te +mp-774933,Li4NbFe(TeO6)2,-6.680849278,-2.0881545761,0.0299203708,0.0299203708,GGA+U,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Fe-Li-Nb-O-Te,20.0,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Fe-Li-Nb-O-Te +mp-779209,Li4Nb3Fe3(TeO8)2,-7.5398636679,-2.2261743327,0.0922742168,0.0922742168,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Nb-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Nb-O-Te, expected Li4Nb3Fe3(TeO10)2 to be Li4Nb3Fe3(TeO8)2" +mp-1173625,Sr10Mg3Fe2(MoO6)5,-7.5552409052,-2.7299463254000003,0.0026779062,0.0026779062,GGA+U,P-1,A2B3C5D30E10_aP100_2_2i_3i_bd4i_30i_10i:Fe-Mg-Mo-O-Sr,100.0,"Invalid WP multiplicities - A2B3C5D30E10_aP100_2_3i_5i_bd8i_60i_20i:Fe-Mg-Mo-O-Sr, expected Sr20Mg5Fe3(Mo3O20)3 to be Sr10Mg3Fe2(MoO6)5" +mp-1173601,Sr10Mg2Fe3(MoO6)5,-7.626825963,-2.66413656,0.002258471,0.002258471,GGA+U,P-1,A3B2C5D30E10_aP100_2_3i_2i_bd4i_30i_10i:Fe-Mg-Mo-O-Sr,100.0,"Invalid WP multiplicities - A3B2C5D30E10_aP100_2_6i_3i_bd8i_60i_20i:Fe-Mg-Mo-O-Sr, expected Sr20Mg3Fe6(Mo3O20)3 to be Sr10Mg2Fe3(MoO6)5" +mp-1218944,Sr10Mg2Fe3(MoO6)5,-7.627885243,-2.66519584,0.001199191,0.001199191,GGA+U,P-1,A3B2C5D30E10_aP50_2_ai_i_d2i_15i_5i:Fe-Mg-Mo-O-Sr,50.0,"Invalid WP multiplicities - A3B2C5D30E10_aP50_2_a2i_i_d3i_30i_10i:Fe-Mg-Mo-O-Sr, expected Sr20Mg2Fe5Mo7O60 to be Sr10Mg2Fe3(MoO6)5" +mp-1218897,Sr10Mg4Fe(MoO6)5,-7.4842249944,-2.7963252378,0.0025281943,0.0025281943,GGA+U,I4/m,AB4C5D30E10_tI100_87_a_h_bh_e5hi_di:Fe-Mg-Mo-O-Sr,50.0,"Invalid WP multiplicities - AB4C5D30E10_tI100_87_a_h_bh_2e20h2i_2d2i:Fe-Mg-Mo-O-Sr, expected Sr20Mg4Fe(MoO20)5 to be Sr10Mg4Fe(MoO6)5" +mp-2222878,Sr2MgFeMoO6,-7.1391341782,-2.2323095833,0.3723109918,0.3723109918,GGA+U,P-1,ABCD6E2_aP11_2_d_a_c_3i_i:Fe-Mg-Mo-O-Sr,11.0,ABCD6E2_aP11_2_d_a_c_3i_i:Fe-Mg-Mo-O-Sr +mp-744025,Sr8Mg3Fe(MoO6)4,-7.5038216457,-2.7815731833,0.0007229486,0.0007229486,GGA+U,I4/m,AB3C4D24E8_tI80_87_a_bd_ce_2eg2hi_i:Fe-Mg-Mo-O-Sr,40.0,"Invalid WP multiplicities - AB3C4D24E8_tI80_87_a_bd_2c2e_4e2g8h8i_i:Fe-Mg-Mo-O-Sr, expected Sr8Mg3Fe(MoO14)8 to be Sr8Mg3Fe(MoO6)4" +mp-1042903,Sr2MnAlCu2O7,-6.8017212758,-2.2546587875,0.112284642,0.112284642,GGA+U,Cc,AB2CD7E2_mC52_9_a_2a_a_7a_2a:Al-Cu-Mn-O-Sr,26.0,"Invalid WP multiplicities - AB2CD7E2_mC52_9_a_4a_a_13a_4a:Al-Cu-Mn-O-Sr, expected Sr4MnAlCu4O13 to be Sr2MnAlCu2O7" +mp-1262567,Sr2MnAlCu2O7,-6.80164548,-2.2545829917,0.1123604378,0.1123604378,GGA+U,Ima2,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Mn-O-Sr,26.0,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Mn-O-Sr +mp-774292,Li4Mn3Sn3(TeO8)2,-6.737936058,-2.0027901982,0.0542436407,0.0542436407,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Sn-Te,56.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_2a2b_8a4b_ab_2a:Li-Mn-O-Sn-Te, expected Li4Mn6Sn3(TeO8)2 to be Li4Mn3Sn3(TeO8)2" +mp-772482,Mn3Sn3(TeO8)2,-6.9940204742,-1.7878374488,0.1014367905,0.1014367905,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Mn-O-Sn-Te,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Mn-O-Sn-Te, expected Mn3Sn3(TeO10)2 to be Mn3Sn3(TeO8)2" +mp-1264854,Mg3Si4(BiO7)2,-7.2355685096,-2.738319271,0.1816221184,0.1816221184,GGA,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Bi-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Bi-Mg-O-Si, expected Mg3Si5BiO27 to be Mg3Si4(BiO7)2" +mp-1026672,Mg14SiBi,-1.96148291,0.0178750813,0.0919876619,0.0919876619,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Si, expected Mg18SiBi to be Mg14SiBi" +mp-1026682,Mg14SiBi,-1.9635751738,0.0157828175,0.0898953982,0.0898953982,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Si, expected Mg26SiBi to be Mg14SiBi" +mp-1194936,Mg64Si32Bi,-2.9548658816,-0.0696226931,0.0603721713,0.0603721713,GGA,Pm-3m,AB64C32_cP97_221_a_2g2m_efgh:Bi-Mg-Si,97.0,AB64C32_cP97_221_a_2g2m_efgh:Bi-Mg-Si +mp-1328117,Mg3Si3(BiO6)2,-7.0276207273,-2.6217188755,0.2460089089,0.2460089089,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Bi-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Bi-Mg-O-Si +mp-1195280,Mg64Si31Bi,-2.9561101936,-0.097326118,0.0331452331,0.0331452331,GGA,Pm-3m,AB64C31_cP96_221_a_2g2m_bcdij:Bi-Mg-Si,96.0,AB64C31_cP96_221_a_2g2m_bcdij:Bi-Mg-Si +mp-1039851,Mg30SiBiO32,-6.2035394381,-2.8352855722,0.1894582683,0.1894582683,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Si, expected Mg110SiBiO72 to be Mg30SiBiO32" +mp-1039843,Mg30SiBiO32,-6.229538517,-2.8612846511,0.1634591894,0.1634591894,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Si, expected Mg90SiBiO80 to be Mg30SiBiO32" +mp-2232393,MgFe2Si2BiO9,-7.604778732,-2.4213356612,0.1000646051,0.1000646051,GGA+U,P1,AB2CD9E2_aP15_1_a_2a_a_9a_2a:Bi-Fe-Mg-O-Si,15.0,AB2CD9E2_aP15_1_a_2a_a_9a_2a:Bi-Fe-Mg-O-Si +mp-2232245,MgFe2Si2BiO9,-7.4801016667,-2.2966585959,0.2247416704,0.2247416704,GGA+U,P1,AB2CD9E2_aP15_1_a_2a_a_9a_2a:Bi-Fe-Mg-O-Si,15.0,AB2CD9E2_aP15_1_a_2a_a_9a_2a:Bi-Fe-Mg-O-Si +mp-2214664,Fe2Si2BiO9,-7.6900047771,-2.2506214906,0.0764391043,0.0764391043,GGA+U,P1,AB2C9D2_aP14_1_a_2a_9a_2a:Bi-Fe-O-Si,14.0,AB2C9D2_aP14_1_a_2a_9a_2a:Bi-Fe-O-Si +mp-1103601,Fe2Si2BiO9,-7.6880075007,-2.2486242142,0.0784363807,0.0784363807,GGA+U,Cm,AB2C9D2_mC28_8_a_b_3a3b_b:Bi-Fe-O-Si,14.0,AB2C9D2_mC28_8_a_b_3a3b_b:Bi-Fe-O-Si +mp-1034633,Mg14SiBiO16,-6.1187489903,-2.6557256391,0.3397217425,0.3397217425,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Si, expected Mg18SiBiO20 to be Mg14SiBiO16" +mp-1257377,Mg14SiBiO16,-6.0886714291,-2.6256480778,0.3697993037,0.3697993037,GGA,Cmmm,AB14C16D_oC64_65_a_egi2q_cdfhj2p_b:Bi-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oC64_65_a_e2gi6q_cdf2hj6p_b:Bi-Mg-O-Si, expected Mg32SiBiO34 to be Mg14SiBiO16" +mp-1034587,Mg14SiBiO16,-6.0834190459,-2.6203956947,0.3750516869,0.3750516869,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Si, expected Mg30SiBiO32 to be Mg14SiBiO16" +mp-1017330,Mg6SiBi,-2.3373626506000003,0.0210732819,0.1447146246,0.1447146246,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Si, expected Mg12SiBi to be Mg6SiBi" +mp-1017322,Mg6SiBi,-2.3118198425,0.04661609,0.1702574327,0.1702574327,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Si, expected Mg12SiBi to be Mg6SiBi" +mp-1194890,Mg63Si32Bi,-2.9854914936,-0.0868632724,0.0424743707,0.0424743707,GGA,P-43m,AB63C32_cP96_215_a_bcd2efgh2i_2e2i:Bi-Mg-Si,96.0,AB63C32_cP96_215_a_bcd2efgh2i_2e2i:Bi-Mg-Si +mp-1030926,Mg6SiBiO8,-5.9210327544,-2.2684704325,0.6683840312,0.6683840312,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Si, expected Mg6SiBiO12 to be Mg6SiBiO8" +mp-1030892,Mg6SiBiO8,-5.9191486888,-2.2665863669,0.6702680969,0.6702680969,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Si, expected Mg6SiBiO12 to be Mg6SiBiO8" +mp-1008872,MnFeTe,-7.0336998033,-0.1085856715,0.1224118665,0.1224118665,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Mn-Te,3.0,ABC_cF12_216_c_a_b:Fe-Mn-Te +mp-757691,Li4Mn3Fe3(TeO8)2,-7.1033228943,-1.8902717464,0.0307962766,0.0307962766,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Mn-O-Te, expected Li4Mn3Fe3(TeO10)2 to be Li4Mn3Fe3(TeO8)2" +mp-775968,Mn3Fe3(TeO8)2,-7.3835882429,-1.6198490482,0.0891755493,0.0891755493,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Fe-Mn-O-Te,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Fe-Mn-O-Te +mp-774569,Li4Mn2Fe3Te3O16,-6.7831712786,-1.7850740378,0.0975588047,0.0975588047,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Mn-O-Te,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Mn-O-Te +mp-2229576,Cs4MgNb2(AgS4)2,-4.9201995765,-1.1471871906,0.1461596891,0.1461596891,GGA,C2,A2B4CD2E8_mC34_5_ab_2a2b_a_ab_4c:Ag-Cs-Mg-Nb-S,17.0,"Invalid WP multiplicities - A2B4CD2E8_mC34_5_ab_2a2b_a_ab_8c:Ag-Cs-Mg-Nb-S, expected Cs4MgNb2(AgS8)2 to be Cs4MgNb2(AgS4)2" +mp-623028,Cs2NbAgS4,-5.2041587781,-1.2953506213,0.0,-0.1410352636,GGA,Fddd,AB2CD4_oF64_70_a_e_b_h:Ag-Cs-Nb-S,16.0,AB2CD4_oF64_70_a_e_b_h:Ag-Cs-Nb-S +mp-1225966,Eu2(CuNi)5,-5.9763105175,-0.150417155,0.0,-0.0317283283,GGA,Pmmm,A5B2C5_oP12_47_eij_bc_hx:Cu-Eu-Ni,12.0,"Invalid WP multiplicities - A5B2C5_oP12_47_ei2j_bc_hx:Cu-Eu-Ni, expected Eu2Cu7Ni5 to be Eu2(CuNi)5" +mp-1517426,NaPrZrSnO6,-7.711095035,-2.8770114549,0.1848854132,0.1848854132,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Sn-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Sn-Zr +mp-1516951,Ca2GdSbO6,-8.069952002,-2.8803064512,0.1863308392,0.1863308392,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Gd-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Gd-O-Sb +mp-1228380,Ba4Pr3BiO12,-7.118232793,-2.8572642585,0.062162388,0.062162388,GGA,P-1,A4BC12D3_aP20_2_2i_a_6i_beh:Ba-Bi-O-Pr,20.0,"Invalid WP multiplicities - A4BC12D3_aP20_2_4i_a_12i_beh:Ba-Bi-O-Pr, expected Ba8Pr3BiO24 to be Ba4Pr3BiO12" +mp-1214573,Ba2PrBiO6,-6.967153613,-2.7532059098,0.0,-0.0803347858,GGA,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Pr,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Bi-O-Pr +mp-1523128,Ba2PrBiO6,-6.955403998,-2.7414562948,0.011749615,-0.0685851708,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Pr +mp-1523366,Ba2PrBiO6,-6.941034608,-2.7270869048,0.026119005,-0.0542157808,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Pr +mp-1519048,BaSrPrBiO6,-6.9320576578,-2.7410581032,0.023031965,0.023031965,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Pr-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Bi-O-Pr-Sr +mp-1518975,BaSrPrBiO6,-6.869336254,-2.6783366994,0.0857533688,0.0857533688,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Bi-O-Pr-Sr +mp-1518261,CaEuHfSnO6,-8.713115865,-3.1221663818,0.0953341514,0.0953341514,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-Sn +mp-1519044,SrEuZrSnO6,-8.514351584,-3.0959615834,0.04698103,0.04698103,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sn-Sr-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sn-Sr-Zr +mp-774793,LiLa8Cu3O16,-7.8123574039,-3.0680138648,0.0501429085,0.0501429085,GGA,P1,A3B8CD16_aP28_1_3a_8a_a_16a:Cu-La-Li-O,28.0,A3B8CD16_aP28_1_3a_8a_a_16a:Cu-La-Li-O +mp-888265,LiLa8Cu3O16,-6.94426922,-2.1999256808,0.9182310924,0.9182310924,GGA,P1,A3B8CD16_aP28_1_3a_8a_a_16a:Cu-La-Li-O,28.0,"Invalid WP multiplicities - A3B8CD16_aP28_2_ai_7i_c_bg14i:Cu-La-Li-O, expected LiLa14(CuO10)3 to be LiLa8Cu3O16" +mp-1344934,LiLa8Cu3O16,-6.4329360089,-1.6885924698,1.4295643035,1.4295643035,GGA,P1,A3B8CD16_aP28_1_3a_8a_a_16a:Cu-La-Li-O,28.0,"Invalid WP multiplicities - A3B8CD16_aP28_2_ai_7i_c_bg14i:Cu-La-Li-O, expected LiLa14(CuO10)3 to be LiLa8Cu3O16" +mp-1222487,LiLa8Cu3O16,-7.817791325,-3.0734477858,0.0447089874,0.0447089874,GGA,P-1,A3B8CD16_aP28_2_abc_4i_g_8i:Cu-La-Li-O,28.0,"Invalid WP multiplicities - A3B8CD16_aP28_2_abc_6i_g_14i:Cu-La-Li-O, expected LiLa12Cu3O28 to be LiLa8Cu3O16" +mp-774722,LiLa20Cu9O40,-7.8114657569,-3.0201875648,0.0527246513,0.0527246513,GGA,P-1,A9B20CD40_aP70_2_b4i_10i_c_20i:Cu-La-Li-O,70.0,"Invalid WP multiplicities - A9B20CD40_aP70_2_b7i_19i_c_40i:Cu-La-Li-O, expected LiLa38(Cu3O16)5 to be LiLa20Cu9O40" +mp-1235292,Ba2LiLaCu3O7,-6.0645258686,-1.9497172371,0.25083168,0.25083168,GGA,Pm,A2B3CDE7_mP14_6_2a_3b_a_b_3a4b:Ba-Cu-La-Li-O,14.0,A2B3CDE7_mP14_6_2a_3b_a_b_3a4b:Ba-Cu-La-Li-O +mp-1235359,Ba2LiLaCu3O7,-6.2387335829,-2.1239249514,0.0766239657,0.0766239657,GGA,Cm,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O,14.0,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O +mp-1235372,Ba2LiLaCu3O7,-6.2122621543,-2.0974535228,0.1030953943,0.1030953943,GGA,Cm,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O,14.0,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O +mp-1235844,Ba2LiLaCu3O7,-6.2272618379,-2.1124532064,0.0880957107,0.0880957107,GGA,Cm,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O,14.0,A2B3CDE7_mC28_8_2a_3a_a_a_a3b:Ba-Cu-La-Li-O +mp-1235082,Ba2LiLaCu3O7,-6.1625872857,-2.0477786543,0.1527702628,0.1527702628,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_b_a_3ac3d:Ba-Cu-La-Li-O,14.0,A2B3CDE7_oP14_25_2b_3c_b_a_3ac3d:Ba-Cu-La-Li-O +mp-1235088,Ba2LiLaCu3O7,-6.133451445,-2.0186428135,0.1819061035,0.1819061035,GGA,P4mm,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O,14.0,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O +mp-1235104,Ba2LiLaCu3O7,-6.1876905607,-2.0728819293,0.1276669878,0.1276669878,GGA,P4mm,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O,14.0,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O +mp-1236807,Ba2LiLaCu3O7,-6.1347911814,-2.01998255,0.1805663671,0.1805663671,GGA,P4mm,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O,14.0,A2B3CDE7_tP14_99_2a_3b_a_a_b3c:Ba-Cu-La-Li-O +mp-774931,LiLa14(Cu3O14)2,-7.8090202378,-3.0311519465,0.0546872859,0.0546872859,GGA,P-1,A6B14CD28_aP98_2_6i_14i_ab_28i:Cu-La-Li-O,98.0,"Invalid WP multiplicities - A6B14CD28_aP98_2_11i_27i_ab_55i:Cu-La-Li-O, expected LiLa27(CuO5)11 to be LiLa14(Cu3O14)2" +mp-774918,Li3La14(CuO7)4,-7.8262682976,-3.1377993452,0.0294455205,0.0294455205,GGA,C2/m,A4B14C3D28_mC196_12_ad3i_gh6j_3i_gh14i6j:Cu-La-Li-O,98.0,"Invalid WP multiplicities - A4B14C3D28_mC196_12_ad5i_2gh20j_4i_2g2h28i17j:Cu-La-Li-O, expected Li4La43(CuO11)6 to be Li3La14(CuO7)4" +mp-1222453,LiLa4CuO8,-7.8018717229,-3.1357526052,0.0466713202,0.0466713202,GGA,C2/m,AB4CD8_mC28_12_a_2i_c_bd3i:Cu-La-Li-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_a_4i_d_bc5i:Cu-La-Li-O, expected LiLa8CuO12 to be LiLa4CuO8" +mp-21496,LiLa4CuO8,-7.8341491029,-3.1680299852,0.0143939402,0.0143939402,GGA,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Cu-La-Li-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_gh_c_gh2n:Cu-La-Li-O, expected LiLa4CuO12 to be LiLa4CuO8" +mp-775959,LiLa7(CuO7)2,-7.8767863397,-3.1304101772,0.0384049561,0.0384049561,GGA,C2/m,A2B7CD14_mC192_12_ad3i_gh6j_2i_gh14i6j:Cu-La-Li-O,96.0,"Invalid WP multiplicities - A2B7CD14_mC192_12_ac5i_gh19j_2i_2gh28i18j:Cu-La-Li-O, expected Li2La40Cu6O67 to be LiLa7(CuO7)2" +mp-2240659,Ba2EuMgNbO6,-7.9818257345,-2.9384921857,0.1593136075,0.1593136075,GGA,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Eu-Mg-Nb-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Eu-Mg-Nb-O +mp-559270,RbBa4Sb3O,-4.3243676961,-1.436575889,0.0,-0.037676051,GGA,I4/mcm,A4BCD3_tI36_140_l_b_c_ah:Ba-O-Rb-Sb,18.0,A4BCD3_tI36_140_l_b_c_ah:Ba-O-Rb-Sb +mp-1233895,Rb2Ba8Ca(Sb3O)2,-4.1321935074,-1.2908328543,0.1611869745,0.1611869745,GGA,P1,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Ca-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Ca-O-Rb-Sb +mp-1233274,Rb2Ba8Ca(Sb3O)2,-4.1691285984,-1.3277679454,0.1242518835,0.1242518835,GGA,C2,A8BC2D2E6_mC38_5_4c_a_2b_2a_2a2c:Ba-Ca-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Ca-O-Rb-Sb +mp-1234470,Rb2Ba8Ca(Sb3O)2,-4.1762989963,-1.3349383433,0.1170814856,0.1170814856,GGA,Cm,A8BC2D2E6_mC38_8_4a2b_a_2a_b_2a2b:Ba-Ca-O-Rb-Sb,19.0,"Invalid WP multiplicities - A8BC2D2E6_mC38_8_4a3b_a_2a_b_2a3b:Ba-Ca-O-Rb-Sb, expected Rb2Ba10Ca(Sb4O)2 to be Rb2Ba8Ca(Sb3O)2" +mp-1234059,Rb2Ba8Ca(Sb3O)2,-4.1053282526,-1.2639675996,0.1880522293,0.1880522293,GGA,Fmm2,A8BC2D2E6_oF76_42_2ce_a_c_d_2abd:Ba-Ca-O-Rb-Sb,19.0,"Invalid WP multiplicities - A8BC2D2E6_oF76_42_3c2e_a_c_d_2ab2d:Ba-Ca-O-Rb-Sb, expected Rb2Ba14Ca(Sb4O)2 to be Rb2Ba8Ca(Sb3O)2" +mp-1209580,Rb2CaSb2,-2.292855588,0.152078513,0.8762770472,0.8762770472,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Ca-Rb-Sb,5.0,AB2C2_tP5_123_a_g_g:Ca-Rb-Sb +mp-9846,RbCaSb,-3.2352853233,-0.8635735925,0.0,-0.102828499,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ca-Rb-Sb,6.0,ABC_tP6_129_a_c_c:Ca-Rb-Sb +mp-2241520,Ba2ErMgSbO6,-6.6586009182,-2.675411623,0.3694618879,0.3694618879,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Er-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a3b_a:Ba-Er-Mg-O-Sb, expected Ba2ErMgSbO8 to be Ba2ErMgSbO6" +mp-2217605,Ba2ErMgSbO6,-6.5603480809,-2.5771587857,0.4677147252,0.4677147252,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Er-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Er-Mg-O-Sb, expected Ba2ErMgSbO12 to be Ba2ErMgSbO6" +mp-2241358,Ba2ErMgSbO6,-6.8001184691,-2.8169291739,0.227944337,0.227944337,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Er-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Er-Mg-O-Sb, expected Ba2ErMgSbO15 to be Ba2ErMgSbO6" +mp-6231,Ba2ErSbO6,-7.330971915,-3.1094916953,0.0,-0.107489575,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Er-O-Sb +mp-10749,SrCuSb,-4.072217755,-0.7663173006,0.0,-0.0719497479,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Sb-Sr,6.0,ABC_hP6_194_c_d_a:Cu-Sb-Sr +mp-1517843,Sr2CuSbO6,-6.335367835,-2.2066351266,0.082531314,0.082531314,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cu-O-Sb-Sr,10.0,AB6CD2_cF40_225_a_e_b_c:Cu-O-Sb-Sr +mp-505515,Sr(CuSb)2,-4.143818369,-0.5146365143,0.0,-0.0325023523,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Cu-Sb-Sr,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_2a2c_b2c_c:Cu-Sb-Sr, expected SrCu4Sb3 to be Sr(CuSb)2" +mp-1046176,Sr2Cu2SbO7,-5.9722211533,-1.7777859479,0.2870912675,0.2870912675,GGA,Ima2,A2B7CD2_oI48_46_c_b3c_b_c:Cu-O-Sb-Sr,24.0,A2B7CD2_oI48_46_c_b3c_b_c:Cu-O-Sb-Sr +mp-1520963,SrSmMnSnO6,-7.538883969,-2.6129040687,0.2024377087,0.2024377087,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_b_d:Mn-O-Sm-Sn-Sr,10.0,AB6CDE_cF40_216_a_f_c_b_d:Mn-O-Sm-Sn-Sr +mp-1516764,Ca2InSbO6,-6.4768515,-2.4196498003,0.1768405573,0.1768405573,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-In-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-In-O-Sb +mp-29722,Ca11InSb9,-4.006524724,-1.0553678874,0.0,-0.0591799745,GGA,Iba2,A11BC9_oI84_45_a5c_a_b4c:Ca-In-Sb,42.0,A11BC9_oI84_45_a5c_a_b4c:Ca-In-Sb +mp-1520258,BaCaInSbO6,-6.515429373,-2.4668901673,0.1158772762,0.1158772762,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-In-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-In-O-Sb +mp-649479,Ca5(InSb3)2,-3.93537769,-0.8349642823000001,0.0,-0.0098349488,GGA,Pbam,A5B2C6_oP26_55_a2g_h_g2h:Ca-In-Sb,26.0,"Invalid WP multiplicities - A5B2C6_oP26_55_2a5g_h_3g7h:Ca-In-Sb, expected Ca6InSb10 to be Ca5(InSb3)2" +mp-1519678,BaSrCaCrO6,-7.082905545,-2.5881807439,0.1660057225,0.1660057225,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Cr-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Cr-O-Sr +mp-1235616,LiPr2Ta2Cl2O7,-8.4439733557,-3.1932459318,0.0996418631,0.0996418631,GGA,Cm,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta,14.0,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta +mp-1235966,LiPr2Ta2Cl2O7,-8.5062180521,-3.2554906282,0.0373971666,0.0373971666,GGA,Cm,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta,14.0,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta +mp-1236066,LiPr2Ta2Cl2O7,-8.4185192979,-3.1677918739,0.1250959209,0.1250959209,GGA,Cm,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta,14.0,A2BC7D2E2_mC28_8_2a_a_7a_2a_2a:Cl-Li-O-Pr-Ta +mp-1235470,LiPr2Ta2Cl2O7,-8.5064137507,-3.2556863268000003,0.0372014681,0.0372014681,GGA,C2/m,A2BC7D2E2_mC28_12_i_a_b3i_i_i:Cl-Li-O-Pr-Ta,14.0,"Invalid WP multiplicities - A2BC7D2E2_mC28_12_i_a_b5i_i_i:Cl-Li-O-Pr-Ta, expected LiPr2Ta2Cl2O11 to be LiPr2Ta2Cl2O7" +mp-1209663,Pr3Ta(ClO2)3,-8.0082269896,-3.2831318248,0.0441575878,0.0441575878,GGA,P6_3/m,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-Ta,26.0,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-Ta +mp-559702,Pr2Ta2Cl2O7,-8.9400929046,-3.4323035916,0.0,-0.012694245,GGA,C2/m,A2B7C2D2_mC26_12_i_a3i_i_i:Cl-O-Pr-Ta,13.0,"Invalid WP multiplicities - A2B7C2D2_mC26_12_i_a5i_i_i:Cl-O-Pr-Ta, expected Pr2Ta2Cl2O11 to be Pr2Ta2Cl2O7" +mp-1517149,NaCaCeFeO6,-7.123649693,-2.3825129124,0.1827366185,0.1827366185,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Ce-Fe-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Ce-Fe-Na-O +mp-1522277,Na2CeFeO6,-6.668287929,-1.9954586071,0.178882242,0.178882242,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ce-Fe-Na-O,10.0,ABC2D6_cF40_225_a_b_c_e:Ce-Fe-Na-O +mp-19950,Dy2Ti3Si4,-6.8436855331,-0.7768719942000001,0.0,-0.0084479201,GGA,P4_12_12,A2B4C3_tP36_92_b_2b_ab:Dy-Si-Ti,36.0,"Invalid WP multiplicities - A2B4C3_tP36_92_b_2b_a2b:Dy-Si-Ti, expected Dy2Ti5Si4 to be Dy2Ti3Si4" +mp-20954,DyTiSi,-6.6046711867,-0.6288055578,0.0005455963,0.0005455963,GGA,P4/nmm,ABC_tP6_129_c_c_a:Dy-Si-Ti,6.0,ABC_tP6_129_c_c_a:Dy-Si-Ti +mp-1206165,Dy2TiSi2,-4.7997736280000005,0.7921667233,1.5029647928,1.5029647928,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Dy-Si-Ti,5.0,A2B2C_tP5_123_g_g_a:Dy-Si-Ti +mp-1076529,La6Sm2Cr3Fe5O24,-8.5711975222,-2.8441227115,0.1320652002,0.1320652002,GGA+U,Pm,A3B5C6D24E2_mP40_6_2ab_2a3b_3c_8a8b4c_c:Cr-Fe-La-O-Sm,40.0,A3B5C6D24E2_mP40_6_2ab_2a3b_3c_8a8b4c_c:Cr-Fe-La-O-Sm +mp-1100028,La5Sm3Cr8O20,-8.8158570229,-2.8438029142,0.2387665081,0.2387665081,GGA+U,P1,A8B5C20D3_aP144_1_32a_20a_80a_12a:Cr-La-O-Sm,144.0,A8B5C20D3_aP144_1_32a_20a_80a_12a:Cr-La-O-Sm +mp-1076204,La7SmCr2(Fe3O10)2,-8.5426365847,-2.7556745765,0.1703695009,0.1703695009,GGA+U,P1,A2B6C7D20E_aP144_1_8a_24a_28a_80a_4a:Cr-Fe-La-O-Sm,144.0,A2B6C7D20E_aP144_1_8a_24a_28a_80a_4a:Cr-Fe-La-O-Sm +mp-1099892,La6Sm2Cr3(FeO4)5,-8.5894532714,-2.775668894,0.1972643815,0.1972643815,GGA+U,P1,A3B5C6D20E2_aP144_1_12a_20a_24a_80a_8a:Cr-Fe-La-O-Sm,144.0,A3B5C6D20E2_aP144_1_12a_20a_24a_80a_8a:Cr-Fe-La-O-Sm +mp-1076603,La5Sm3Cr8O24,-8.9254110225,-3.0558934535,0.1319114979,0.1319114979,GGA+U,P4/mmm,A8B5C24D3_tP40_123_r_abcf_jkst_de:Cr-La-O-Sm,40.0,"Invalid WP multiplicities - A8B5C24D3_tP40_123_r_abc2f_jk5s6t_d2e:Cr-La-O-Sm, expected La7Sm5Cr8O96 to be La5Sm3Cr8O24" +mp-1099896,La6Sm2Cr5(FeO8)3,-8.7264580945,-2.9402319707,0.1218803261,0.1218803261,GGA+U,Pm,A5B3C6D24E2_mP40_6_2a3b_2ab_3c_8a8b4c_c:Cr-Fe-La-O-Sm,40.0,A5B3C6D24E2_mP40_6_2a3b_2ab_3c_8a8b4c_c:Cr-Fe-La-O-Sm +mp-1076611,La3SmCr2(FeO6)2,-8.6466750005,-2.8900245332,0.129125571,0.129125571,GGA+U,Pmm2,A2B2C3D12E_oP20_25_e_e_b2d_2a2c2e2f_b:Cr-Fe-La-O-Sm,20.0,"Invalid WP multiplicities - A2B2C3D12E_oP20_25_e_e_b2d_2a2c4e4f_b:Cr-Fe-La-O-Sm, expected La3SmCr2(FeO10)2 to be La3SmCr2(FeO6)2" +mp-1222850,LaSmCr2O6,-9.041361693,-3.1772796482,0.00733138,0.00733138,GGA+U,Pmc2_1,A2BC6D_oP20_26_c_a_ab2c_b:Cr-La-O-Sm,20.0,"Invalid WP multiplicities - A2BC6D_oP20_26_c_a_ab3c_b:Cr-La-O-Sm, expected LaSmCr2O8 to be LaSmCr2O6" +mp-1223143,La3SmCr4O12,-9.0572345745,-3.1822814813,0.0087173932,0.0087173932,GGA+U,Pm,A4B3C12D_mP20_6_2c_a2b_2a2b4c_a:Cr-La-O-Sm,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_6_4c_a2b_2a2b8c_a:Cr-La-O-Sm, expected La3SmCr8O20 to be La3SmCr4O12" +mp-1076580,La5Sm3Cr6(FeO12)2,-8.7855199182,-2.9751536622,0.126726904,0.126726904,GGA+U,Amm2,A6B2C5D24E3_oC80_38_cf_c_a2be_2a2bde4f_ad:Cr-Fe-La-O-Sm,40.0,"Invalid WP multiplicities - A6B2C5D24E3_oC80_38_2c2f_c_a2b2e_2a2bde16f_a2d:Cr-Fe-La-O-Sm, expected La7Sm5Cr12(FeO36)2 to be La5Sm3Cr6(FeO12)2" +mp-1100047,La5Sm3Cr7FeO20,-8.7657466584,-2.8265543902,0.2560150321,0.2560150321,GGA+U,P1,A7BC5D20E3_aP144_1_28a_4a_20a_80a_12a:Cr-Fe-La-O-Sm,144.0,A7BC5D20E3_aP144_1_28a_4a_20a_80a_12a:Cr-Fe-La-O-Sm +mp-1222968,LaSm3Cr4O12,-9.0301013535,-3.1768903573,0.0013328247,0.0013328247,GGA+U,Pm,A4BC12D3_mP20_6_2c_a_2a2b4c_a2b:Cr-La-O-Sm,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_6_4c_a_2a2b8c_a2b:Cr-La-O-Sm, expected LaSm3Cr8O20 to be LaSm3Cr4O12" +mp-1099808,La7SmCrFe7O24,-8.4342033365,-2.7608443145,0.1326131352,0.1326131352,GGA+U,R3m,AB7C7D24E_hR120_160_a_a2b_a2b_4b2c_a:Cr-Fe-La-O-Sm,40.0,"Invalid WP multiplicities - AB7C7D24E_hR120_160_a_a6b_a4b_12b11c_a:Cr-Fe-La-O-Sm, expected La13SmCrFe19O102 to be La7SmCrFe7O24" +mp-1076203,La5Sm3Cr6(FeO10)2,-8.715248249,-2.8089178214,0.2736516009,0.2736516009,GGA+U,P1,A6B2C5D20E3_aP144_1_24a_8a_20a_80a_12a:Cr-Fe-La-O-Sm,144.0,A6B2C5D20E3_aP144_1_24a_8a_20a_80a_12a:Cr-Fe-La-O-Sm +mp-1099978,La6Sm2Cr5Fe3O20,-8.6861282317,-2.8066201732,0.2617846414,0.2617846414,GGA+U,P1,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:Cr-Fe-La-O-Sm,144.0,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:Cr-Fe-La-O-Sm +mp-1076459,La7SmCrFe7O20,-8.4884888073,-2.7343886397,0.1439196683,0.1439196683,GGA+U,P1,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Cr-Fe-La-O-Sm,144.0,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Cr-Fe-La-O-Sm +mp-1076431,La7SmCr2(FeO4)6,-8.5184416078,-2.8155069293,0.120912713,0.120912713,GGA+U,Cmm2,A2B6C7D24E_oC80_35_d_d2e_a2b2c_2d2e4f_a:Cr-Fe-La-O-Sm,40.0,"Invalid WP multiplicities - A2B6C7D24E_oC80_35_d_2d4e_a2b4c_4d4e12f_a:Cr-Fe-La-O-Sm, expected La11SmCr2(Fe3O16)4 to be La7SmCr2(FeO4)6" +mp-1075954,La5Sm3Cr7FeO24,-8.8542795998,-3.0143376873,0.1305050716,0.1305050716,GGA+U,Cm,A7BC5D24E3_mC80_8_3a2b_a_3ab_4a10b_ab:Cr-Fe-La-O-Sm,40.0,"Invalid WP multiplicities - A7BC5D24E3_mC80_8_3a2b_a_3a2b_4a18b_a2b:Cr-Fe-La-O-Sm, expected La7Sm5Cr7FeO40 to be La5Sm3Cr7FeO24" +mp-20506,NbNiTe2,-6.1971579906,-0.655144614,0.0,-0.0530840206,GGA,Pmna,ABC2_oP16_53_e_h_gh:Nb-Ni-Te,16.0,"Invalid WP multiplicities - ABC2_oP16_53_e_h_2g2h:Nb-Ni-Te, expected NbNiTe4 to be NbNiTe2" +mp-1177365,Li4Nb3Ni3(TeO8)2,-7.1843400061,-2.1588525849,0.0856723668,0.0856723668,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-Te,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Nb-Ni-O-Te, expected Li4Nb3Ni3(TeO10)2 to be Li4Nb3Ni3(TeO8)2" +mp-8999,NbNiTe5,-5.1516800286,-0.6376841448,0.0,-0.0215874925,GGA,Cmcm,ABC5_oC28_63_c_a_c2f:Nb-Ni-Te,14.0,ABC5_oC28_63_c_a_c2f:Nb-Ni-Te +mp-1220914,Nb2Ni5Te6,-5.7632310927,-0.5352981050000001,7.374270000000001e-05,7.374270000000001e-05,GGA,P-1,A2B5C6_aP26_2_2i_5i_6i:Nb-Ni-Te,26.0,"Invalid WP multiplicities - A2B5C6_aP26_2_4i_9i_12i:Nb-Ni-Te, expected Nb4(Ni3Te4)3 to be Nb2Ni5Te6" +mp-1371609,Nb2Ni5Te6,-3.5198900815,1.7080429062,2.2434147538,2.2434147538,GGA,P-1,A2B5C6_aP26_2_2i_5i_6i:Nb-Ni-Te,26.0,"Invalid WP multiplicities - A2B5C6_aP26_2_4i_9i_12i:Nb-Ni-Te, expected Nb4(Ni3Te4)3 to be Nb2Ni5Te6" +mp-1218793,Sr2LaTi2Nb3O15,-8.9494649561,-3.3577160938,0.0672791476,0.0672791476,GGA,Pbam,AB3C15D2E2_oP46_55_c_bh_a2g5h_g_h:La-Nb-O-Sr-Ti,46.0,AB3C15D2E2_oP46_55_c_bh_a2g5h_g_h:La-Nb-O-Sr-Ti +mp-1048433,Ba2AlTlNi2O7,-6.1251291946,-1.8071858719,0.4033342665,0.4033342665,GGA+U,P4/mmm,AB2C2D7E_tP13_123_b_g_h_ahi_c:Al-Ba-Ni-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_tP13_123_b_g_h_a2h2i_c:Al-Ba-Ni-O-Tl, expected Ba2AlTlNi2O13 to be Ba2AlTlNi2O7" +mp-1221586,MnZn3(FeO2)8,-7.4594044318,-1.7505317467,0.0179939764,0.0179939764,GGA+U,P-4m2,A8BC16D3_tP28_115_jk_a_2j2k_cg:Fe-Mn-O-Zn,28.0,"Invalid WP multiplicities - A8BC16D3_tP28_115_3j3k_a_7j7k_cg:Fe-Mn-O-Zn, expected MnZn3(Fe3O7)8 to be MnZn3(FeO2)8" +mp-1221853,Mn3Zn(FeO2)8,-8.0364656139,-1.7631449516000002,0.050926345,0.050926345,GGA+U,R3m,A8B3C16D_hR84_160_2a2b_3a_4a4b_a:Fe-Mn-O-Zn,28.0,"Invalid WP multiplicities - A8B3C16D_hR84_160_2a6b_3a_4a12b_a:Fe-Mn-O-Zn, expected Mn3Zn(FeO2)20 to be Mn3Zn(FeO2)8" +mp-1221602,MnZn(FeO2)4,-7.7806608514,-1.7895641777,0.0017343321,0.0017343321,GGA+U,F-43m,A4BC8D_cF56_216_e_a_2e_c:Fe-Mn-O-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Fe-Mn-O-Zn +mp-1043865,LaMnZnFeO6,-7.6078196295,-2.257027681,0.1780333938,0.1780333938,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mn-O-Zn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_10a_a:Fe-La-Mn-O-Zn, expected LaMnZnFeO10 to be LaMnZnFeO6" +mp-1516598,BaNaNbBiO6,-7.1629734293,-2.4766307622,0.0735497231,0.0735497231,GGA,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Bi-Na-Nb-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Bi-Na-Nb-O, expected BaNa2NbBiO12 to be BaNaNbBiO6" +mp-1516730,BaNaNbBiO6,-7.146340309,-2.4599976419000003,0.0901828434,0.0901828434,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Na-Nb-O +mp-1198160,Rb2LiFe(MoO4)3,-7.5756159537,-2.089446107,0.0158344437,0.0158344437,GGA+U,Pnma,ABC3D12E2_oP76_62_c_c_3c_6c3d_2c:Fe-Li-Mo-O-Rb,76.0,ABC3D12E2_oP76_62_c_c_3c_6c3d_2c:Fe-Li-Mo-O-Rb +mp-1046566,Sr2AlCr2GaO7,-7.5197622465,-2.5901026559,0.1864799297,0.1864799297,GGA+U,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-Cr-Ga-O-Sr,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-Cr-Ga-O-Sr +mp-1046770,Sr2Cr2GaO7,-7.3456121317,-2.3172788943,0.3400586429,0.3400586429,GGA+U,Ima2,A2BC7D2_oI48_46_c_b_b3c_c:Cr-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2BC7D2_oI48_46_c_b_2b7c_c:Cr-Ga-O-Sr, expected Sr2Cr2GaO16 to be Sr2Cr2GaO7" +mp-554152,Sr4Al6CrO16,-7.6239687104,-3.2524318347,0.0,-0.016857157,GGA+U,Pna2_1,A6BC16D4_oP108_33_6a_a_16a_4a:Al-Cr-O-Sr,108.0,"Invalid WP multiplicities - A6BC16D4_oP108_33_23a_a_61a_12a:Al-Cr-O-Sr, expected Sr12Al23CrO61 to be Sr4Al6CrO16" +mp-1218564,Sr4Al6CrO16,-7.616701367,-3.2451644914,0.0072673433,-0.0095898137,GGA+U,I-4m2,A6BC16D4_tI54_119_abi_c_h3i_g:Al-Cr-O-Sr,27.0,"Invalid WP multiplicities - A6BC16D4_tI54_119_ab3i_c_4h9i_g:Al-Cr-O-Sr, expected Sr4Al14CrO52 to be Sr4Al6CrO16" +mp-1218679,SrCr9Ga3O19,-8.4097191778,-2.421022482,0.0016484104,0.0016484104,GGA+U,P6_3mc,A9B3C19D_hP64_186_a2b2c_a2b_2a2b5c_b:Cr-Ga-O-Sr,64.0,"Invalid WP multiplicities - A9B3C19D_hP64_186_a4b4c_a4b_4a4b9c_b:Cr-Ga-O-Sr, expected SrCr17(GaO7)5 to be SrCr9Ga3O19" +mp-1232994,LiSm4Ti2Mn2O12,-8.6671423443,-3.2262591748,0.1276702149,0.1276702149,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Li-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Li-Mn-O-Sm-Ti +mp-1235566,LiSm4Ti2Mn2O12,-8.6548764295,-3.21399326,0.1399361297,0.1399361297,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Li-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Li-Mn-O-Sm-Ti +mp-18794,Sm2TiMnO6,-9.0542939125,-3.4368127279,0.0183843338,0.0183843338,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mn-O-Sm-Ti,20.0,AB6C2D_mP20_14_a_3e_e_b:Mn-O-Sm-Ti +mp-22363,Ba3NiRu2O9,-7.160867394,-2.1871297286,0.0,-0.0777278869,GGA+U,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ni-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ni-O-Ru +mp-540907,Ba3NiIr2O9,-6.9653451317,-2.0497365809,0.0,-0.0695431485,GGA+U,P6_3/mmc,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Ni-O,60.0,A3B2CD9_hP30_194_bf_f_a_hk:Ba-Ir-Ni-O +mp-1228389,Ba3NiIrRuO9,-7.055057065,-2.1103839569,0.0080491978,0.0080491978,GGA+U,P-3m1,A3BCD9E_hP30_164_c2d_d_ab_3i_d:Ba-Ir-Ni-O-Ru,30.0,A3BCD9E_hP30_164_c2d_d_ab_3i_d:Ba-Ir-Ni-O-Ru +mp-1147774,Ba2NiRuO6,-6.926873706,-2.0696115693,0.0259119652,0.0259119652,GGA+U,P6_3/mmc,A2BC6D_hP40_194_acf_f_ghk_e:Ba-Ni-O-Ru,40.0,"Invalid WP multiplicities - A2BC6D_hP40_194_2ac2f_f_5g5h8k_e:Ba-Ni-O-Ru, expected Ba7Ni2(RuO39)2 to be Ba2NiRuO6" +mp-1214697,Ba2Yb2CuPtO8,-6.4361506,-2.3889351629,0.0,-0.0472534321,GGA,Pnma,A2BC8DE2_oP56_62_2c_c_2c3d_c_2c:Ba-Cu-O-Pt-Yb,,A2BC8DE2_oP56_62_2c_c_2c3d_c_2c:Ba-Cu-O-Pt-Yb +mp-1522962,NaEuHfZrO6,-9.27846659,-3.3020116879,0.1569553175,0.1569553175,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Zr +mp-1233222,MgAu4Se4(ClO3)4,-4.8453646844,-1.028010079,0.0913084276,0.0913084276,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1233629,MgAu4Se4(ClO3)4,-4.8252683264,-1.007913721,0.1114047856,0.1114047856,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1233961,MgAu4Se4(ClO3)4,-4.8679925308000005,-1.0506379254,0.0686805812,0.0686805812,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234009,MgAu4Se4(ClO3)4,-4.839344854,-1.0219902486,0.097328258,0.097328258,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234080,MgAu4Se4(ClO3)4,-4.8162605372,-0.9989059318,0.1204125748,0.1204125748,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234154,MgAu4Se4(ClO3)4,-4.8816221848,-1.0642675794,0.0550509272,0.0550509272,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234333,MgAu4Se4(ClO3)4,-4.8500777976,-1.0327231922,0.0865953144,0.0865953144,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234385,MgAu4Se4(ClO3)4,-4.8285416692,-1.0111870638,0.1081314428,0.1081314428,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234428,MgAu4Se4(ClO3)4,-4.8547816824000005,-1.037427077,0.0818914296,0.0818914296,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234500,MgAu4Se4(ClO3)4,-4.895025384,-1.0776707786,0.041647728,0.041647728,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1234732,MgAu4Se4(ClO3)4,-4.8713955888000005,-1.0540409834,0.0652775232,0.0652775232,GGA,P1,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se,25.0,A4B4CD12E4_aP25_1_4a_4a_a_12a_4a:Au-Cl-Mg-O-Se +mp-1228202,Ba4PrNd(Cu3O7)2,-6.4222789,-2.150208326,0.0255490605,0.0255490605,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Nd-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Nd-O-Pr, expected Ba8PrNd(Cu5O13)2 to be Ba4PrNd(Cu3O7)2" +mp-1520549,TbEu2SnO6,-8.80802159,-2.9242142078,0.1942709223,0.1942709223,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sn-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sn-Tb +mp-1522768,BaTbEuSnO6,-8.0647100912,-3.014705395,0.0717889121,0.0717889121,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Eu-O-Sn-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Eu-O-Sn-Tb, expected BaTbEu2SnO12 to be BaTbEuSnO6" +mp-1522757,BaTbEuSnO6,-7.961534345,-2.9115296487,0.1749646584,0.1749646584,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Tb +mp-1516823,Ca2TbSbO6,-7.165765219,-2.9202952822,0.166713173,0.166713173,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-Tb +mp-1519047,SrCaTbSbO6,-7.19792864,-2.9840693459,0.0876206779,0.0876206779,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sb-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sb-Sr-Tb +mp-1220615,Nd8(Ga16Cu)3,-3.6613797688,-0.3428813188,0.0,-0.0067083799,GGA,P-42m,A3B48C8_tP59_111_abc_4m8n_2g2h:Cu-Ga-Nd,59.0,"Invalid WP multiplicities - A3B48C8_tP59_111_abc_14m32n_3g4h:Cu-Ga-Nd, expected Nd14Ga184Cu3 to be Nd8(Ga16Cu)3" +mp-1173259,Sr2NdGaCu2O7,-6.6168275342000005,-2.4629456357,0.0128673857,0.0128673857,GGA,P1,A2BCD7E2_aP26_1_4a_2a_2a_14a_4a:Cu-Ga-Nd-O-Sr,26.0,A2BCD7E2_aP26_1_4a_2a_2a_14a_4a:Cu-Ga-Nd-O-Sr +mp-541323,Sr2NdGaCu2O7,-6.6201865385000005,-2.46630464,0.0095083815,0.0095083815,GGA,Ima2,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-Nd-O-Sr,26.0,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-Nd-O-Sr +mp-1220384,Nd2Ga3Cu,-4.35620464,-0.5695730396,0.0007576062,0.0007576062,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Nd,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Nd +mp-1220168,NdGa3Cu,-4.094995486,-0.5046670520000001,0.0,-0.027435842,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Cu-Ga-Nd,5.0,AB3C_tI10_119_a_bf_c:Cu-Ga-Nd +mp-1206434,Nd(GaCu)2,-4.207849704,-0.4032991405,0.0127071869,0.0127071869,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:Cu-Ga-Nd,5.0,A2B2C_tI10_139_e_d_a:Cu-Ga-Nd +mp-1218095,SrNdGaO4,-7.2494123143,-3.0676277781,0.0593349637,0.0593349637,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Ga-Nd-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Ga-Nd-O-Sr +mp-1218128,SrNdGa3O7,-7.0130849767,-2.8323558157,0.0,-0.0055339739,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Ga-Nd-O-Sr,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Ga-Nd-O-Sr, expected SrNdGa5O19 to be SrNdGa3O7" +mp-1218135,SrNdGaCuO5,-6.8610822111,-2.6034836406,0.0486970949,0.0486970949,GGA,Cm,ABCD5E_mC36_8_b_2a_b_2a4b_b:Cu-Ga-Nd-O-Sr,18.0,"Invalid WP multiplicities - ABCD5E_mC36_8_b_2a_b_2a8b_b:Cu-Ga-Nd-O-Sr, expected SrNdGaCuO9 to be SrNdGaCuO5" +mp-1220403,Nd2Ga5Cu3,-4.170081717,-0.4726422182,0.0,-0.012424168,GGA,P-4m2,A3B5C2_tP10_115_abc_d2g_g:Cu-Ga-Nd,10.0,"Invalid WP multiplicities - A3B5C2_tP10_115_abc_d4g_g:Cu-Ga-Nd, expected Nd2(Ga3Cu)3 to be Nd2Ga5Cu3" +mp-2229207,MgCu4As2(ClO4)2,-5.57902491,-1.4269115835,0.0541447893,0.0541447893,GGA,P-1,A2B2C4DE8_aP17_2_i_i_abi_c_4i:As-Cl-Cu-Mg-O,17.0,"Invalid WP multiplicities - A2B2C4DE8_aP17_2_i_i_abi_c_7i:As-Cl-Cu-Mg-O, expected MgCu4As2(ClO7)2 to be MgCu4As2(ClO4)2" +mp-1520046,BaCaHfSnO6,-7.901117845,-3.1439710478,0.089991792,0.089991792,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-Sn +mp-1520105,EuNbCrSnO6,-8.967772707,-2.5976668637,0.0986809953,0.0986809953,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sn,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-Nb-O-Sn +mp-1517115,CaEuHfFeO6,-9.027098534,-2.9901041152000003,0.1440029049,0.1440029049,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-Hf-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-Hf-O +mp-1194392,SrAl2(SiO5)2,-7.3065102813,-2.6732990623,0.3114185912,0.3114185912,GGA,P2_1/m,A2B10C2D_mP30_11_ad_2e4f_f_e:Al-O-Si-Sr,30.0,A2B10C2D_mP30_11_ac_2e4f_f_e:Al-O-Si-Sr +mp-3698,SrAlSi,-3.99545882,-0.3753297156,0.0,-0.042443125,GGA,P-6m2,ABC_hP3_187_a_c_f:Al-Si-Sr,3.0,ABC_hP3_187_a_c_f:Al-Si-Sr +mp-581263,Sr13Al6Si8O,-3.8978614771,-0.5840720906,0.0,-0.0069965657,GGA,C2/m,A6BC8D13_mC56_12_3i_a_4i_b6i:Al-O-Si-Sr,28.0,"Invalid WP multiplicities - A6BC8D13_mC56_12_6i_a_6i_b12i:Al-O-Si-Sr, expected Sr25Al12Si12O to be Sr13Al6Si8O" +mp-7068,Sr3(AlSi)2,-3.7241661343,-0.3798421229,0.0,-0.0192346996,GGA,Immm,A2B2C3_oI14_71_e_f_af:Al-Si-Sr,7.0,A2B2C3_oI14_71_e_f_af:Al-Si-Sr +mp-1218879,Sr2Al2SiO7,-7.7168781204,-3.4733549891,0.0,-0.0206255952,GGA,P2_1,A2B7CD2_mP24_4_2a_7a_a_2a:Al-O-Si-Sr,24.0,A2B7CD2_mP24_4_2a_7a_a_2a:Al-O-Si-Sr +mp-686718,Sr5Al11TlSi13O48,-7.8564487955,-3.2412996023,0.1425535443,0.1425535443,GGA,P1,A11B48C13D5E_aP78_1_11a_48a_13a_5a_a:Al-O-Si-Sr-Tl,78.0,A11B48C13D5E_aP78_1_11a_48a_13a_5a_a:Al-O-Si-Sr-Tl +mp-1249531,Sr5Al11TlSi13O48,-7.8643985851,-3.2492493919,0.1346037547,0.1346037547,GGA,P1,A11B48C13D5E_aP78_1_11a_48a_13a_5a_a:Al-O-Si-Sr-Tl,78.0,A11B48C13D5E_aP78_1_11a_48a_13a_5a_a:Al-O-Si-Sr-Tl +mp-677001,SrAl7Tl5Si5O24,-7.2146250945,-2.7963189227000003,0.2011944183,0.2011944183,GGA,P1,A7B24C5DE5_aP84_1_14a_48a_10a_2a_10a:Al-O-Si-Sr-Tl,84.0,A7B24C5DE5_aP84_1_14a_48a_10a_2a_10a:Al-O-Si-Sr-Tl +mp-1173192,SrAl7Tl5Si5O24,-7.2897030437,-2.8713968719,0.1261164692,0.1261164692,GGA,P1,A7B24C5DE5_aP84_1_14a_48a_10a_2a_10a:Al-O-Si-Sr-Tl,84.0,A7B24C5DE5_aP84_1_14a_48a_10a_2a_10a:Al-O-Si-Sr-Tl +mp-14048,Sr3Al2(SiO4)3,-7.7571091069,-3.3473165746,0.1049253334,0.1049253334,GGA,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Sr,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-Sr +mp-556496,Sr10Al4Si6O,-3.9464311705,-0.6428199922000001,0.0047955206,0.0047955206,GGA,Immm,A4BC6D10_oI42_71_l_a_gl_bcgil:Al-O-Si-Sr,21.0,"Invalid WP multiplicities - A4BC6D10_oI42_71_l_a_2g3l_bc2g2i3l:Al-O-Si-Sr, expected Sr22Al4Si16O to be Sr10Al4Si6O" +mp-1218866,SrAl2(Si2O7)3,-7.2639324505,-2.4101652428,0.3894064195,0.3894064195,GGA,P2_1/m,A2B21C6D_mP60_11_f_a4e8f_3f_e:Al-O-Si-Sr,60.0,A2B21C6D_mP60_11_f_a4e8f_3f_e:Al-O-Si-Sr +mp-720112,Sr5Al10(Si7O24)2,-8.0548681847,-3.3886508324,0.0278453894,0.0278453894,GGA,P1,A10B48C14D5_aP77_1_10a_48a_14a_5a:Al-O-Si-Sr,77.0,A10B48C14D5_aP77_1_10a_48a_14a_5a:Al-O-Si-Sr +mp-6931,Sr(AlSi)2,-4.27340508,-0.2671488453,0.0,-0.039581218,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-Si-Sr,5.0,A2B2C_hP5_164_d_d_a:Al-Si-Sr +mp-657543,SrAl2(SiO4)2,-7.2702888498,-2.6853049372,0.7586000475,0.7195300776,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_f:Al-O-Si-Sr,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_8f_30f_4f_f:Al-O-Si-Sr, expected SrAl8(Si2O15)2 to be SrAl2(SiO4)2" +mp-645842,SrAl2(SiO4)2,-7.306854414,-2.7218705015,0.7220344833,0.6829645134,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_f:Al-O-Si-Sr,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_8f_30f_4f_f:Al-O-Si-Sr, expected SrAl8(Si2O15)2 to be SrAl2(SiO4)2" +mp-1205386,SrAl2(SiO4)2,-8.0272889698,-3.4423050572,0.0015999275,-0.0374700424,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_f:Al-O-Si-Sr,52.0,A2B8C2D_mC104_15_2f_8f_2f_f:Al-O-Si-Sr +mp-1249297,SrAl2(SiO4)2,-7.3256060187,-2.7406221061,0.7032828787000001,0.6642129088000001,GGA,C2/c,A2B8C2D_mC104_15_2f_8f_2f_f:Al-O-Si-Sr,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_8f_30f_4f_f:Al-O-Si-Sr, expected SrAl8(Si2O15)2 to be SrAl2(SiO4)2" +mp-1218484,SrAl2(SiO4)2,-8.0288888973,-3.4439049847,0.0,-0.0390699699,GGA,P-3c1,A2B8C2D_hP26_165_d_dg_d_b:Al-O-Si-Sr,26.0,A2B8C2D_hP26_165_d_dg_d_b:Al-O-Si-Sr +mp-1182284,Ca2Nb3CuBrO10,-8.0786527129,-2.8178152428,0.0834788935,0.0834788935,GGA,P4/mmm,AB2CD3E10_tP17_123_c_h_a_bg_e2gi:Br-Ca-Cu-Nb-O,17.0,AB2CD3E10_tP17_123_c_h_a_bg_e2gi:Br-Ca-Cu-Nb-O +mp-545706,Ca3Cu2(BrO2)2,-5.60580665,-2.2323498786,0.0007671442,0.0007671442,GGA,I4/mmm,A2B3C2D4_tI22_139_e_ae_e_g:Br-Ca-Cu-O,11.0,A2B3C2D4_tI22_139_e_ae_e_g:Br-Ca-Cu-O +mp-545481,Ca2Cu(BrO)2,-5.30023479,-2.2845432882,0.0,-0.0037654314,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_c:Br-Ca-Cu-O,7.0,A2B2CD2_tI14_139_e_e_a_c:Br-Ca-Cu-O +mp-1147663,CaNb2CuBrO7,-7.7049248125,-2.4976526509,0.1139539461,0.1139539461,GGA,P4/mmm,ABCD2E7_tP12_123_c_d_a_g_bgi:Br-Ca-Cu-Nb-O,12.0,"Invalid WP multiplicities - ABCD2E7_tP12_123_c_d_a_g_b2g2i:Br-Ca-Cu-Nb-O, expected CaNb2CuBrO13 to be CaNb2CuBrO7" +mp-1224872,GaCuSeS,-4.448943805,-0.7590277957,0.0122784287,0.0122784287,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Cu-Ga-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Cu-Ga-S-Se +mp-1228950,AlGa(CuSe2)2,-4.4060493987000005,-0.7865830109,0.0011068956,0.0011068956,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-Ga-Se,8.0,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-Ga-Se +mp-1228907,AlGa(CuS2)2,-4.8828826125,-0.94314703,0.0014529381,0.0014529381,GGA,I-4,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-Ga-S,8.0,AB2CD4_tI16_82_a_bc_d_g:Al-Cu-Ga-S +mp-1229038,AlGaCu2(SeS)2,-4.63510855,-0.8555075648,0.0316486944,0.0316486944,GGA,C2,AB2CD2E2_mC16_5_a_ab_b_c_c:Al-Cu-Ga-S-Se,8.0,AB2CD2E2_mC16_5_a_ab_b_c_c:Al-Cu-Ga-S-Se +mp-1229065,AlCuSeS,-4.8205721638,-0.9512862026,0.0096974475,0.0096974475,GGA,I2_12_12_1,ABCD_oI16_24_a_a_b_c:Al-Cu-S-Se,8.0,ABCD_oI16_24_a_a_b_c:Al-Cu-S-Se +mp-641710,Cu5Si(SbO6)2,-6.2188526171,-1.5418716973,0.0638266294,0.0638266294,GGA,Pcca,A5B12C2D_oP160_54_a2cd3f_12f_bef_f:Cu-O-Sb-Si,160.0,"Invalid WP multiplicities - A5B12C2D_oP160_54_3a8c3d21f_87f_3b3e4f_f:Cu-O-Sb-Si, expected Cu28SiSb7O87 to be Cu5Si(SbO6)2" +mp-1244564,Cu13Si2(SbO14)2,-5.59580614,-0.9090148252,0.4107048553,0.4107048553,GGA,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Cu-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Cu-O-Sb-Si, expected Cu25Si2(SbO26)2 to be Cu13Si2(SbO14)2" +mp-1044487,Cu13Si2(SbO14)2,-5.5864092451000005,-0.8996179303,0.4201017502,0.4201017502,GGA,C2/m,A13B28C2D2_mC90_12_a2g2j_2i6j_g_i:Cu-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_mC90_12_a4g7j_4i21j_g_i:Cu-O-Sb-Si, expected Cu37Si2(SbO46)2 to be Cu13Si2(SbO14)2" +mp-1154457,Al2Cu3(SiO4)3,-7.2127570651,-2.4415075504,0.1735213547,0.1735213547,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Cu-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Cu-O-Si +mp-1249732,Al4Cu13Si2(SbO14)2,-6.3850223943,-1.7750649966,0.1003571415,0.1003571415,GGA,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Cu-O-Sb-Si,,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Cu-O-Sb-Si, expected Al4Cu37Si2(SbO46)2 to be Al4Cu13Si2(SbO14)2" +mp-1044336,Al4Cu13Si2(SbO14)2,-6.3740541982,-1.7640968005,0.1113253377,0.1113253377,GGA,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Cu-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Cu-O-Sb-Si, expected Al4Cu37Si2(SbO46)2 to be Al4Cu13Si2(SbO14)2" +mp-1517467,CaZrNbInO6,-8.238177243,-2.9295350883,0.1953741363,0.1953741363,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-In-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-In-Nb-O-Zr +mp-743659,Sr3La9Mn11NiO36,-8.4277760188,-2.8588486388,0.1475645967,0.1475645967,GGA+U,P1,A9B11CD36E3_aP60_1_9a_11a_a_36a_3a:La-Mn-Ni-O-Sr,60.0,A9B11CD36E3_aP60_1_9a_11a_a_36a_3a:La-Mn-Ni-O-Sr +mp-1236479,SrLiNdCoO4,-6.9163697775,-2.5086652284,0.1572655844,0.1572655844,GGA+U,P1,ABCD4E_aP8_1_a_a_a_4a_a:Co-Li-Nd-O-Sr,8.0,ABCD4E_aP8_1_a_a_a_4a_a:Co-Li-Nd-O-Sr +mp-1235083,SrLiNdCoO4,-6.9365597175,-2.5288551684,0.1370756444,0.1370756444,GGA+U,Pm,ABCD4E_mP8_6_a_a_b_2a2b_b:Co-Li-Nd-O-Sr,8.0,ABCD4E_aP8_1_a_a_a_4a_a:Co-Li-Nd-O-Sr +mp-1236182,SrLiNdCoO4,-6.97135476,-2.5636502109,0.1022806019,0.1022806019,GGA+U,Pm,ABCD4E_mP8_6_a_b_b_2a2b_a:Co-Li-Nd-O-Sr,8.0,ABCD4E_aP8_1_a_a_a_4a_a:Co-Li-Nd-O-Sr +mp-1235166,SrLiNdCoO4,-6.8024806125,-2.3947760634,0.2711547494,0.2711547494,GGA+U,Cm,ABCD4E_mC16_8_a_a_a_2ab_a:Co-Li-Nd-O-Sr,8.0,ABCD4E_mC16_8_a_a_a_2ab_a:Co-Li-Nd-O-Sr +mp-1244768,SrLiNdCoO4,-6.9593953475,-2.5516907984,0.1142400144,0.1142400144,GGA+U,Pmm2,ABCD4E_oP8_25_a_d_d_abcd_a:Co-Li-Nd-O-Sr,8.0,ABCD4E_oP8_25_a_d_d_abcd_a:Co-Li-Nd-O-Sr +mp-1519954,BaCaSmFeO6,-7.245801806,-2.5664703628,0.1561245409,0.1561245409,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-Sm +mp-1521831,BaCaSmFeO6,-7.1963321,-2.5170006567,0.2055942469,0.2055942469,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Fe-O-Sm,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ca-Fe-O-Sm +mp-1272187,Ca2MnGaO5,-7.2544061522,-2.7061000821,0.0148557852,0.0148557852,GGA+U,C2,A2BCD5_mC36_5_2c_c_ab_5c:Ca-Ga-Mn-O,18.0,A2BCD5_mC36_5_2c_c_ab_5c:Ca-Ga-Mn-O +mp-21470,Ca2MnGaO5,-7.2663122956,-2.7180062255,0.0029496419,0.0029496419,GGA+U,Ima2,A2BCD5_oI36_46_c_b_a_b2c:Ca-Ga-Mn-O,18.0,A2BCD5_oI36_46_c_b_a_b2c:Ca-Ga-Mn-O +mp-630403,Ca2MnGaO5,-7.2665967356,-2.7182906655,0.0026652019,0.0026652019,GGA+U,Pnma,A2BCD5_oP36_62_d_c_a_c2d:Ca-Ga-Mn-O,36.0,"Invalid WP multiplicities - A2BCD5_oP36_62_d_c_a_4c8d:Ca-Ga-Mn-O, expected Ca2MnGaO20 to be Ca2MnGaO5" +mp-1395621,Ca3Mn2(GaO5)2,-7.1640343441,-2.4661573217,0.1204866832,0.1204866832,GGA+U,P1,A3B2C2D10_aP17_1_3a_2a_2a_10a:Ca-Ga-Mn-O,17.0,A3B2C2D10_aP17_1_3a_2a_2a_10a:Ca-Ga-Mn-O +mp-1359472,Ca3Mn2(GaO5)2,-7.16246871,-2.4645916876,0.1220523174,0.1220523174,GGA+U,Pc,A3B2C2D10_mP34_7_3a_2a_2a_10a:Ca-Ga-Mn-O,34.0,"Invalid WP multiplicities - A3B2C2D10_mP34_7_5a_4a_4a_20a:Ca-Ga-Mn-O, expected Ca5Mn4(GaO5)4 to be Ca3Mn2(GaO5)2" +mp-2217956,La2MgZnCoO6,-7.2099810291,-2.7081184898,0.1678557822,0.1678557822,GGA+U,P1,AB2CD6E_aP11_1_a_2a_a_6a_a:Co-La-Mg-O-Zn,11.0,AB2CD6E_aP11_1_a_2a_a_6a_a:Co-La-Mg-O-Zn +mp-1209831,Nd2FeAs2O,-5.5371391717,-0.1585989056,1.6053139132,1.6053139132,GGA+U,P4/mmm,A2BC2D_tP6_123_g_a_g_b:As-Fe-Nd-O,6.0,A2BC2D_tP6_123_g_a_g_b:As-Fe-Nd-O +mp-622621,NdFeAsO,-7.3243031788,-1.6133092391,0.2809324835,0.2809324835,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Fe-Nd-O,8.0,ABCD_tP8_129_c_a_c_b:As-Fe-Nd-O +mp-1197332,Fe2Co(AsO7)2,-6.1441550245,-0.7430898149,0.4889026107,0.4889026107,GGA+U,P2_1/c,A2BC2D14_mP38_14_e_a_e_7e:As-Co-Fe-O,38.0,A2BC2D14_mP38_14_e_a_e_7e:As-Co-Fe-O +mp-1220228,Nd4FeCo3(AsO)4,-7.1011670637,-1.6454925144,0.2851086227,0.2851086227,GGA+U,Pmm2,A4B3CD4E4_oP16_25_acf_be_d_acf_bde:As-Co-Fe-Nd-O,16.0,A4B3CD4E4_oP16_25_acf_be_d_acf_bde:As-Co-Fe-Nd-O +mp-1200485,Nd6Fe13As,-7.2993214,-0.1304074635,0.0199180376,0.0199180376,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:As-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:As-Fe-Nd +mp-1086665,NdCoAsO,-7.0339765762,-1.6634084903000002,0.2664271569,0.2664271569,GGA+U,P4/nmm,ABCD_tP8_129_c_a_c_b:As-Co-Nd-O,8.0,ABCD_tP8_129_c_a_c_b:As-Co-Nd-O +mp-1209892,Nd(FeAs3)4,-5.9354505459,-0.3732356557,0.0,-0.0099446944,GGA,Im-3,A12B4C_cI34_204_g_c_a:As-Fe-Nd,17.0,A12B4C_cI34_204_g_c_a:As-Fe-Nd +mp-571382,Nd(CoAs)2,-6.389772636,-0.7291686695,0.0,-0.007740499,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Nd,5.0,A2B2C_tI10_139_e_d_a:As-Co-Nd +mp-1224691,Fe2SbTe3,-5.4669963267,-0.3838361033,0.0167585483,0.0167585483,GGA,Pm,A2BC3_mP6_6_ab_a_a2b:Fe-Sb-Te,6.0,A2BC3_mP6_6_ab_a_a2b:Fe-Sb-Te +mp-755913,Li4FeSb(TeO6)2,-6.176655057,-1.8825755451,0.0401685132,0.0401685132,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-Sb-Te,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-Sb-Te +mp-1224850,FeSbTe,-5.5410201067,-0.2935773256,0.0456169017,0.0154221125,GGA,P2/m,ABC_mP6_10_ce_m_n:Fe-Sb-Te,6.0,ABC_mP6_10_ae_m_n:Fe-Sb-Te +mp-1102580,FeSbTe,-5.5866370083,-0.3391942272,0.0,-0.0301947892,GGA,P2_1/c,ABC_mP12_14_e_e_e:Fe-Sb-Te,12.0,ABC_mP12_14_e_e_e:Fe-Sb-Te +mp-1046452,Sr2AlCu2SnO7,-6.3830249246,-2.2323042392,0.1809477493,0.1809477493,GGA,P1,AB2C7DE2_aP26_1_2a_4a_14a_2a_4a:Al-Cu-O-Sn-Sr,26.0,"Invalid WP multiplicities - AB2C7DE2_mC52_8_b_3b_2a9b_2a_3b:Al-Cu-O-Sn-Sr, expected Sr3AlCu3SnO10 to be Sr2AlCu2SnO7" +mp-1369848,Sr2AlCu2SnO7,-5.5823966469,-1.4316759615,0.981576027,0.981576027,GGA,P1,AB2C7DE2_aP26_1_2a_4a_14a_2a_4a:Al-Cu-O-Sn-Sr,26.0,AB2C7DE2_aP26_1_2a_4a_14a_2a_4a:Al-Cu-O-Sn-Sr +mp-1226271,CrFe3Sb4,-6.4941156938,-0.0467261862,0.0702766637,0.0702766637,GGA,P-3m1,AB3C4_hP8_164_a_bc_2d:Cr-Fe-Sb,8.0,"Invalid WP multiplicities - AB3C4_hP8_164_a_bc_4d:Cr-Fe-Sb, expected CrFe3Sb8 to be CrFe3Sb4" +mp-756671,Li4Cr3Fe3(SbO8)2,-7.4533893989,-2.1173208501,0.0110291837,0.0110291837,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Fe-Li-O-Sb, expected Li4Cr3Fe3(SbO10)2 to be Li4Cr3Fe3(SbO8)2" +mp-861530,Li2Cr2FeSbO8,-7.5639761559,-2.1856566692,0.0088418193,0.0088418193,GGA+U,P1,A2BC2D8E_aP56_1_8a_4a_8a_32a_4a:Cr-Fe-Li-O-Sb,56.0,A2BC2D8E_aP56_1_8a_4a_8a_32a_4a:Cr-Fe-Li-O-Sb +mp-1222836,Li2Cr2FeSbO8,-7.5662640307,-2.187944544,0.0065539445,0.0065539445,GGA+U,Cm,A2BC2D8E_mC56_8_2ab_b_4a_8a4b_2a:Cr-Fe-Li-O-Sb,28.0,A2BC2D8E_mC56_8_2ab_b_4a_8a4b_2a:Cr-Fe-Li-O-Sb +mp-772506,Li4Cr3Fe2Sb3O16,-7.2700806225,-2.0890485012,0.0506537429,0.0506537429,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cr-Fe-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Cr-Fe-Li-O-Sb, expected Li4Cr3Fe2Sb3O20 to be Li4Cr3Fe2Sb3O16" +mp-1226377,Cr(Fe2Sb5)2,-5.7802586413,-0.1253823273,0.0260912397,0.0260912397,GGA,P2/m,AB4C10_mP30_10_m_cem2n_5m5n:Cr-Fe-Sb,30.0,"Invalid WP multiplicities - AB4C10_mP30_10_m_ae2m3n_10m10n:Cr-Fe-Sb, expected Cr(Fe3Sb10)2 to be Cr(Fe2Sb5)2" +mp-775288,Cr3Fe2Sb3O16,-7.565790415,-1.8394067512,0.1205042311,0.1205042311,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Cr-Fe-O-Sb,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Cr-Fe-O-Sb, expected Cr3Fe2Sb3O20 to be Cr3Fe2Sb3O16" +mp-1226216,CrFeSb4,-5.8646201533,-0.0914412133,0.0285673642,0.0285673642,GGA,P2/m,ABC4_mP6_10_c_e_mn:Cr-Fe-Sb,6.0,ABC4_mP6_10_a_e_mn:Cr-Fe-Sb +mp-1008225,CrFe2Sb,-7.5398947175,0.140628065,0.19912949,0.19912949,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Fe-Sb,4.0,AB2C_cF16_225_a_c_b:Cr-Fe-Sb +mp-1254352,Ti2Zn3(SiO4)3,-7.4312978756,-2.6709762012,0.2169269629,0.2169269629,GGA,Ia-3d,A12B3C2D3_cI160_230_h_d_a_c:O-Si-Ti-Zn,80.0,A12B3C2D3_cI160_230_h_d_a_c:O-Si-Ti-Zn +mp-1043408,TiZn(Si2O5)2,-7.8849920069,-2.8647798282,0.2429604106,0.2429604106,GGA,P4/ncc,A10B4CD_tP64_130_f2g_g_c_b:O-Si-Ti-Zn,64.0,"Invalid WP multiplicities - A10B4CD_tP64_130_f5g_g_c_b:O-Si-Ti-Zn, expected TiZn(Si2O11)2 to be TiZn(Si2O5)2" +mp-1046592,TiZnSiO5,-7.8529826638,-2.9387330121,0.0583899262,0.0583899262,GGA,P1,A5BCD_aP16_1_10a_2a_2a_2a:O-Si-Ti-Zn,16.0,A5BCD_aP16_1_10a_2a_2a_2a:O-Si-Ti-Zn +mp-1263932,TiZn(SiO3)2,-7.7249410165,-2.7563406211,0.2552245075,0.2552245075,GGA,C2/c,A6B2CD_mC40_15_3f_f_e_e:O-Si-Ti-Zn,20.0,A6B2CD_mC40_15_3f_f_e_e:O-Si-Ti-Zn +mp-1041488,TiZn(SiO3)2,-7.6739675195,-2.7053671241,0.3061980045,0.3061980045,GGA,Pbca,A6B2CD_oP80_61_6c_2c_c_c:O-Si-Ti-Zn,80.0,"Invalid WP multiplicities - A6B2CD_oP80_61_41c_8c_c_c:O-Si-Ti-Zn, expected TiZnSi8O41 to be TiZn(SiO3)2" +mp-1259911,Ti2Zn3(Si2O7)2,-7.5959680993,-2.7905277106,0.1469574872,0.1469574872,GGA,C2/c,A14B4C2D3_mC92_15_7f_2f_ae_ef:O-Si-Ti-Zn,46.0,"Invalid WP multiplicities - A14B4C2D3_mC92_15_27f_5f_ae_2e2f:O-Si-Ti-Zn, expected TiZn3Si5O27 to be Ti2Zn3(Si2O7)2" +mp-2228927,MgTi2Zn2(SiO5)2,-7.4901137876,-2.7708035244,0.2109921035,0.2109921035,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-Ti-Zn +mp-697313,Al24Tl10Cd7(SiO4)24,-7.4628735137,-2.9593317205,0.0323809323,0.0323809323,GGA,P1,A24B7C96D24E10_aP161_1_24a_7a_96a_24a_10a:Al-Cd-O-Si-Tl,161.0,A24B7C96D24E10_aP161_1_24a_7a_96a_24a_10a:Al-Cd-O-Si-Tl +mp-686541,Al2Cd(Si5O12)2,-8.0454339416,-3.1430622986,0.0503634207,0.0503634207,GGA,P1,A2BC24D10_aP74_1_4a_2a_48a_20a:Al-Cd-O-Si,74.0,A2BC24D10_aP74_1_4a_2a_48a_20a:Al-Cd-O-Si +mp-14047,Al2Cd3(SiO4)3,-7.0546809083,-2.75987893,0.0056918591,0.0056918591,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Cd-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Cd-O-Si +mp-1360720,Ba2CaCr2F14,-6.11782875,-3.3857050529,0.0711500637,0.0711500637,GGA+U,P2/c,A2BC2D14_mP38_13_g_e_g_7g:Ba-Ca-Cr-F,38.0,A2BC2D14_mP38_13_g_e_g_7g:Ba-Ca-Cr-F +mp-1353956,Ba4CaCr4Cu2F28,-6.0545817067,-3.2337223746,0.01848898,0.01848898,GGA+U,C2,A4BC4D2E28_mC78_5_2c_a_2c_c_14c:Ba-Ca-Cr-Cu-F,39.0,"Invalid WP multiplicities - A4BC4D2E28_mC78_5_3c_a_3c_c_26c:Ba-Ca-Cr-Cu-F, expected Ba6CaCr6Cu2F52 to be Ba4CaCr4Cu2F28" +mp-582663,Ba2CaCr2CuF14,-6.2195950083,-3.4191171625,0.0,-0.0019824203,GGA+U,C2/c,A2BC2DE14_mC80_15_f_e_f_a_7f:Ba-Ca-Cr-Cu-F,40.0,"Invalid WP multiplicities - A2BC2DE14_mC80_15_f_e_f_c_21f:Ba-Ca-Cr-Cu-F, expected Ba2CaCr2CuF42 to be Ba2CaCr2CuF14" +mp-560577,BaCaCrF7,-6.4682640573,-3.772466551,0.0,-0.0006479945,GGA+U,P2/c,ABCD7_mP40_13_g_ef_g_7g:Ba-Ca-Cr-F,40.0,ABCD7_mP40_13_g_ef_g_7g:Ba-Ca-Cr-F +mp-1047909,BaCaCrF7,-6.4319630892,-3.736165583,0.036300968,0.0356529735,GGA+U,P2_1/c,ABCD7_mP40_14_e_e_e_7e:Ba-Ca-Cr-F,40.0,"Invalid WP multiplicities - ABCD7_mP40_14_e_e_e_23e:Ba-Ca-Cr-F, expected BaCaCrF23 to be BaCaCrF7" +mp-1379023,Ba2Cr2CuF14,-5.8840200305,-3.0417065024,0.0344105089,0.0344105089,GGA+U,C2/c,A2B2CD14_mC76_15_f_f_a_7f:Ba-Cr-Cu-F,38.0,"Invalid WP multiplicities - A2B2CD14_mC76_15_f_f_c_24f:Ba-Cr-Cu-F, expected Ba2Cr2CuF48 to be Ba2Cr2CuF14" +mp-1218767,Sr2Nd2TlNi2O9,-6.9217902638,-2.4618904713,0.0059070538,0.0059070538,GGA+U,Fmm2,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Nd-Ni-O-Sr-Tl,16.0,A2B2C9D2E_oF64_42_c_c_a2ce_c_a:Nd-Ni-O-Sr-Tl +mp-1224004,Ho2Ga3Cu,-4.32028187,-0.5955631237,0.0,-0.0377267851,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Ho,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Ho +mp-541325,Sr2HoGaCu2O7,-6.6406636104,-2.5010692936,0.0212577454,0.0212577454,GGA,Ima2,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-Ho-O-Sr,26.0,A2BCD7E2_oI52_46_c_b_a_b3c_c:Cu-Ga-Ho-O-Sr +mp-1224194,Ho3(Ga2Cu)2,-4.31701784,-0.5327929467,0.027487495,0.027487495,GGA,P3m1,A2B4C3_hP18_156_3ab_3a5b_6c:Cu-Ga-Ho,18.0,A2B4C3_hP18_156_3ab_3a5b_6c:Cu-Ga-Ho +mp-1520375,BaSrPrNiO6,-6.717378341,-2.3324140314,0.1506219819,0.1506219819,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ni-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Ni-O-Pr-Sr +mp-18802,BaPr2NiO5,-7.6475373267,-2.9814965837000003,0.0,-0.0058527894,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Pr,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Pr +mp-1227893,BaPr3(NiO4)2,-7.5674317021,-2.7534691839,0.0383336758,0.0383336758,GGA+U,Amm2,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:Ba-Ni-O-Pr,14.0,AB2C8D3_oC28_38_a_ab_2a2bf_a2b:Ba-Ni-O-Pr +mp-1208761,Sr2SmTaO6,-8.511200202,-3.5476519081,0.0,-0.0111575002,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Sm-Sr-Ta,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Sm-Sr-Ta +mp-1233088,Sr4CaSm2Ta2O12,-8.0475797657,-3.2248861582,0.2114386342,0.2114386342,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Sm-Sr-Ta +mp-1233600,Sr4CaSm2Ta2O12,-8.0746693676,-3.2519757601,0.1843490323,0.1843490323,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Sm-Sr-Ta +mp-6066,NaTaGeO5,-8.0490965925,-2.7319998007,0.0,-0.0246505501,GGA,C2/c,ABC5D_mC32_15_e_e_e2f_a:Ge-Na-O-Ta,16.0,ABC5D_mC32_15_e_e_e2f_c:Ge-Na-O-Ta +mp-2713579,Na3HfTa(GeO4)3,-7.5890702263,-2.6384756942000003,0.025911184,0.025911184,GGA,Cc,A3BC3D12E_mC240_9_9a_3a_9a_36a_3a:Ge-Hf-Na-O-Ta,120.0,"Invalid WP multiplicities - A3BC3D12E_mC240_9_18a_3a_14a_72a_3a:Ge-Hf-Na-O-Ta, expected Na14Hf3Ta3(GeO4)18 to be Na3HfTa(GeO4)3" +mp-2713331,Na3HfTa(GeO4)3,-7.590136955,-2.639542423,0.0248444553,0.0248444553,GGA,Cc,A3BC3D12E_mC80_9_3a_a_3a_12a_a:Ge-Hf-Na-O-Ta,80.0,"Invalid WP multiplicities - A3BC3D12E_mC80_9_6a_a_3a_30a_a:Ge-Hf-Na-O-Ta, expected Na3HfTa(GeO5)6 to be Na3HfTa(GeO4)3" +mp-1522808,CaEuHfNbO6,-9.563237337,-3.3631145352000003,0.1330137426,0.1330137426,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Hf-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Hf-Nb-O +mp-1102160,EuGaSn,-6.35016277,-0.5852728775,0.0,-0.0143081068,GGA,P6_3/mmc,ABC_hP12_194_ab_f_f:Eu-Ga-Sn,12.0,ABC_hP12_194_ab_f_f:Eu-Ga-Sn +mp-1516880,EuNbGaSnO6,-8.272377243,-2.5647665445,0.1071835396,0.1071835396,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Ga-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Ga-Nb-O-Sn +mp-2230096,Er2MgCu(GeO3)4,-7.060161664,-2.4257966493,0.2178288257,0.2178288257,GGA,P-1,AB2C4DE12_aP20_2_a_i_2i_d_6i:Cu-Er-Ge-Mg-O,20.0,"Invalid WP multiplicities - AB2C4DE12_aP20_2_a_i_2i_d_7i:Cu-Er-Ge-Mg-O, expected Er2MgCu(Ge2O7)2 to be Er2MgCu(GeO3)4" +mp-1213038,Er2Cu(GeO4)2,-7.4926027946,-2.7192020492,0.0286095837,0.0286095837,GGA,Cm,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Er-Ge-O,26.0,AB2C2D8_mC52_8_b_2b_2ab_4a6b:Cu-Er-Ge-O +mp-16057,Er2Cu(GeO3)4,-7.3248764232,-2.5308227261000003,0.0054445164,0.0054445164,GGA,P-1,AB2C4D12_aP19_2_a_i_2i_6i:Cu-Er-Ge-O,19.0,"Invalid WP multiplicities - AB2C4D12_aP19_2_a_i_2i_7i:Cu-Er-Ge-O, expected Er2Cu(Ge2O7)2 to be Er2Cu(GeO3)4" +mp-1519121,NaSrPrBiO6,-6.4393265077,-2.3079719178,0.0944430676,0.0944430676,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_f_cd:Bi-Na-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_ab_6m_f_2c2d:Bi-Na-O-Pr-Sr, expected NaSr2PrBiO12 to be NaSrPrBiO6" +mp-1519045,NaSrPrBiO6,-6.340660098,-2.2093055081,0.1931094774,0.1931094774,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-Na-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-Na-O-Pr-Sr +mp-1518869,Sr2GdCrO6,-8.504084202,-2.8252553136,0.1681015639,0.1681015639,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Gd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Gd-O-Sr +mp-1516227,BaSrGdCrO6,-8.54357284,-2.8417958029,0.1524693859,0.1524693859,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Gd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Cr-Gd-O-Sr +mp-1227263,CaMn3Cu3RuO12,-7.1979921615,-1.6767955194000002,0.018668378,0.018668378,GGA+U,R-3,AB3C3D12E_hR60_148_a_e_d_2f_b:Ca-Cu-Mn-O-Ru,20.0,AB3C3D12E_hR60_148_a_e_d_2f_b:Ca-Cu-Mn-O-Ru +mp-1227234,CaMn2Cu3(RuO6)2,-7.148995363,-1.6221793585,0.0209828092,0.0209828092,GGA+U,C2/m,AB3C2D12E2_mC40_12_a_bcd_f_2i2j_e:Ca-Cu-Mn-O-Ru,20.0,"Invalid WP multiplicities - AB3C2D12E2_mC40_12_a_bcd_e_3i2j_f:Ca-Cu-Mn-O-Ru, expected CaMn2Cu3(RuO7)2 to be CaMn2Cu3(RuO6)2" +mp-1227575,Ca2MnRuO6,-7.607736201,-2.394961215,0.0,-0.0130970276,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mn-O-Ru,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_b:Ca-Mn-O-Ru, expected Ca2MnRuO10 to be Ca2MnRuO6" +mp-1227254,CaMnCu3(RuO4)3,-7.0661928585,-1.5337574916,0.0432860224,0.0432860224,GGA+U,R-3,AB3CD12E3_hR60_148_a_e_b_2f_d:Ca-Cu-Mn-O-Ru,20.0,"Invalid WP multiplicities - AB3CD12E3_hR60_148_a_e_b_7f_d:Ca-Cu-Mn-O-Ru, expected CaMnCu3(RuO14)3 to be CaMnCu3(RuO4)3" +mp-1104001,Ba(MoSe)3,-7.4298722443,-1.0093494296,0.06646254,0.06646254,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Ba-Mo-Se,14.0,AB3C3_hP14_176_c_h_h:Ba-Mo-Se +mp-675435,MgMo3Se4,-6.8972952825,-0.8821857462,0.04575472,0.04575472,GGA,P-1,AB3C4_aP32_2_2i_6i_8i:Mg-Mo-Se,32.0,"Invalid WP multiplicities - AB3C4_aP32_2_3i_11i_15i:Mg-Mo-Se, expected Mg3Mo11Se15 to be MgMo3Se4" +mp-556779,BaMoSeO6,-7.2640485844,-2.1595298294,0.0131659143,0.0131659143,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Ba-Mo-O-Se,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_22e_e:Ba-Mo-O-Se, expected BaMoSeO22 to be BaMoSeO6" +mp-1233337,Ba2MgMo4(Se2O11)2,-7.1641445755,-1.9631861534,0.0700468892,0.0700468892,GGA+U,P1,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se,33.0,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se +mp-1233487,Ba2MgMo4(Se2O11)2,-7.1606590548,-1.9597006328,0.0735324098,0.0735324098,GGA+U,P1,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se,33.0,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se +mp-1234048,Ba2MgMo4(Se2O11)2,-7.1659101164,-1.9649516943,0.0682813483,0.0682813483,GGA+U,P1,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se,33.0,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se +mp-1234820,Ba2MgMo4(Se2O11)2,-7.1614893527,-1.9605309307,0.072702112,0.072702112,GGA+U,P1,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se,33.0,A2BC4D22E4_aP33_1_2a_a_4a_22a_4a:Ba-Mg-Mo-O-Se +mp-1233246,Ba2MgMo4(Se2O11)2,-7.1526203067,-1.9516618846,0.081571158,0.081571158,GGA+U,Cm,A2BC4D22E4_mC66_8_2a_a_2b_2a10b_2b:Ba-Mg-Mo-O-Se,33.0,"Invalid WP multiplicities - A2BC4D22E4_mC66_8_2a_a_4b_2a19b_4b:Ba-Mg-Mo-O-Se, expected Ba2MgMo8(SeO5)8 to be Ba2MgMo4(Se2O11)2" +mp-1234404,Ba2MgMo4(Se2O11)2,-7.1488011985,-1.9478427764,0.0853902662,0.0853902662,GGA+U,Cm,A2BC4D22E4_mC66_8_2a_a_2b_2a10b_2b:Ba-Mg-Mo-O-Se,33.0,"Invalid WP multiplicities - A2BC4D22E4_mC66_8_2a_a_4b_2a19b_4b:Ba-Mg-Mo-O-Se, expected Ba2MgMo8(SeO5)8 to be Ba2MgMo4(Se2O11)2" +mp-675743,Mg(Mo3Se4)2,-7.141946342,-0.8325148399000001,0.057474772,0.057474772,GGA,P1,AB6C8_aP30_1_2a_12a_16a:Mg-Mo-Se,30.0,AB6C8_aP30_1_2a_12a_16a:Mg-Mo-Se +mp-1222220,Mg(Mo3Se4)2,-7.1439615667,-0.8345300646,0.0554595473,0.0554595473,GGA,P1,AB6C8_aP15_1_a_6a_8a:Mg-Mo-Se,15.0,AB6C8_aP15_1_a_6a_8a:Mg-Mo-Se +mp-675833,Mg(Mo3Se4)2,-7.144552215,-0.8351207129,0.054868899,0.054868899,GGA,P-1,AB6C8_aP30_2_i_6i_8i:Mg-Mo-Se,30.0,"Invalid WP multiplicities - AB6C8_aP30_2_i_12i_16i:Mg-Mo-Se, expected Mg(Mo3Se4)4 to be Mg(Mo3Se4)2" +mp-938238,Mg3(Mo3Se4)4,-3.5695957735,2.5879276172,3.4975047668,3.4975047668,GGA,P1,A3B12C16_aP31_1_3a_12a_16a:Mg-Mo-Se,31.0,A3B12C16_aP31_1_3a_12a_16a:Mg-Mo-Se +mp-676910,Mg3(Mo3Se4)4,-7.019418979,-0.8618955883,0.0476815613,0.0476815613,GGA,P1,A3B12C16_aP31_1_3a_12a_16a:Mg-Mo-Se,31.0,A3B12C16_aP31_1_3a_12a_16a:Mg-Mo-Se +mp-554548,BaMo2Se2O11,-7.25106177,-1.9375821488,0.0,-0.0153861295,GGA+U,Cmc2_1,AB2C11D2_oC64_36_a_b_a5b_b:Ba-Mo-O-Se,32.0,"Invalid WP multiplicities - AB2C11D2_oC64_36_a_b_2a18b_b:Ba-Mo-O-Se, expected BaMo2(SeO19)2 to be BaMo2Se2O11" +mp-1197677,Ba2Mo15Se19,-7.4165085468,-0.9458135578,0.0075728043,0.0075728043,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:Ba-Mo-Se,72.0,A2B15C19_hR216_167_c_e2f_2ce2f:Ba-Mo-Se +mp-2226695,Ba2NdMgBiO6,-6.7095516291,-2.7343699236,0.1367668772,0.1367668772,GGA,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Bi-Mg-Nd-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Bi-Mg-Nd-O +mp-2240208,Ba2NdMgBiO6,-6.5189206336000005,-2.5437389282,0.3273978726,0.3273978726,GGA,C2/m,A2BCDE6_mC22_12_i_c_a_b_ij:Ba-Bi-Mg-Nd-O,11.0,A2BCDE6_mC22_12_i_c_b_a_ij:Ba-Bi-Mg-Nd-O +mp-2220109,Nd2Mg(BiO4)2,-6.9602621692,-2.4686419488,0.1641698799,0.1641698799,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Bi-Mg-Nd-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_8c:Bi-Mg-Nd-O, expected Nd2Mg(BiO8)2 to be Nd2Mg(BiO4)2" +mp-2219353,Nd2Mg(BiO4)2,-6.9903709862,-2.4987507658,0.134061063,0.134061063,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Bi-Mg-Nd-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_8c:Bi-Mg-Nd-O, expected Nd2Mg(BiO8)2 to be Nd2Mg(BiO4)2" +mp-2229996,Cs4MgTi2(AgS2)4,-4.4501672632,-1.0083411305,0.2639066882,0.2639066882,GGA,Pm,A4B4CD8E2_mP19_6_2c_2a2b_a_4c_c:Ag-Cs-Mg-S-Ti,19.0,"Invalid WP multiplicities - A4B4CD8E2_mP19_6_4c_2a2b_a_8c_c:Ag-Cs-Mg-S-Ti, expected Cs4MgTi2(AgS2)8 to be Cs4MgTi2(AgS2)4" +mp-2230007,Cs4MgTi2(AgS2)4,-4.4871886621,-1.0453625295,0.2268852893,0.2268852893,GGA,Cmmm,A4B4CD8E2_oC38_65_m_gj_a_no_k:Ag-Cs-Mg-S-Ti,19.0,"Invalid WP multiplicities - A4B4CD8E2_oC38_65_m_2gj_a_2n2o_k:Ag-Cs-Mg-S-Ti, expected Cs6MgTi2(AgS4)4 to be Cs4MgTi2(AgS2)4" +mp-2230111,Cs4MgTi2(AgS2)4,-4.5633267658,-1.1215006332,0.1507471856,0.1507471856,GGA,P-42m,A4B4CD8E2_tP19_111_ef_n_b_2n_ac:Ag-Cs-Mg-S-Ti,19.0,"Invalid WP multiplicities - A4B4CD8E2_tP19_111_ef_n_b_5n_ac:Ag-Cs-Mg-S-Ti, expected Cs4MgTi2(AgS5)4 to be Cs4MgTi2(AgS2)4" +mp-2219688,Cs4Mg(TiS3)2,-4.9263332085,-1.4039045336,0.1291524758,0.1291524758,GGA,P1,A4BC6D2_aP13_1_4a_a_6a_2a:Cs-Mg-S-Ti,13.0,A4BC6D2_aP13_1_4a_a_6a_2a:Cs-Mg-S-Ti +mp-2227312,Cs4Mg(TiS3)2,-4.8552632469,-1.3328345721,0.2002224373,0.2002224373,GGA,C2,A4BC6D2_mC26_5_2c_a_2a2bc_c:Cs-Mg-S-Ti,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_5_4c_a_2a2bc_c:Cs-Mg-S-Ti, expected Cs8Mg(TiS3)2 to be Cs4Mg(TiS3)2" +mp-2219071,Cs4Mg(TiS3)2,-4.91058505,-1.3881563752,0.1449006342,0.1449006342,GGA,Cm,A4BC6D2_mC26_8_2b_a_2a2b_2a:Cs-Mg-S-Ti,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_8_3b_a_2a4b_2a:Cs-Mg-S-Ti, expected Cs6Mg(TiS5)2 to be Cs4Mg(TiS3)2" +mp-2230622,MgTi6AgS12,-6.6203461515,-1.5481868237,0.0199281755,0.0199281755,GGA,C2,ABC12D6_mC40_5_a_b_6c_3c:Ag-Mg-S-Ti,20.0,"Invalid WP multiplicities - ABC12D6_mC40_5_a_b_12c_6c:Ag-Mg-S-Ti, expected MgTi12AgS24 to be MgTi6AgS12" +mp-2230297,MgTi6AgS12,-6.629705464,-1.5575461362,0.010568863,0.010568863,GGA,C2,ABC12D6_mC40_5_a_a_6c_3c:Ag-Mg-S-Ti,20.0,"Invalid WP multiplicities - ABC12D6_mC40_5_a_a_12c_6c:Ag-Mg-S-Ti, expected MgTi12AgS24 to be MgTi6AgS12" +mp-2231955,MgTi6AgS12,-6.6339489265000005,-1.5617895987,0.0063254005,0.0063254005,GGA,C2/m,ABC12D6_mC40_12_a_d_2i2j_ij:Ag-Mg-S-Ti,20.0,"Invalid WP multiplicities - ABC12D6_mC40_12_a_c_4i8j_2i3j:Ag-Mg-S-Ti, expected MgTi16AgS40 to be MgTi6AgS12" +mp-1026473,CsMg14Ti,-1.7103449275,0.2393310155,0.2572822839,0.2572822839,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Ti, expected CsMg18Ti to be CsMg14Ti" +mp-1026442,CsMg14Ti,-1.7252060362,0.2244699068,0.2424211751,0.2424211751,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Ti, expected CsMg26Ti to be CsMg14Ti" +mp-10488,Cs2Ti(AgS2)2,-4.7733290939,-1.2291948456,0.0,-0.0694787583,GGA,P4_2/mcm,A2B2C4D_tP18_132_e_i_o_b:Ag-Cs-S-Ti,18.0,A2B2C4D_tP18_132_e_i_o_b:Ag-Cs-S-Ti +mp-1099298,CsMg6Ti,-1.848808935,0.4502629011,0.4656497025,0.4656497025,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Ti,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Ti +mp-1021419,CsMg6Ti,-1.9887244288,0.3103474073,0.3257342088,0.3257342088,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Cs-Mg-Ti,8.0,AB6C_tP8_123_a_fk_c:Cs-Mg-Ti +mp-2217308,BaLaMg(CoO3)2,-7.1624393082,-2.403163858,0.1256438481,0.1256438481,GGA+U,Cm,AB2CDE6_mC22_8_a_2a_a_a_2a2b:Ba-Co-La-Mg-O,11.0,"Invalid WP multiplicities - AB2CDE6_mC22_8_a_2a_a_a_2a3b:Ba-Co-La-Mg-O, expected BaLaMg(CoO4)2 to be BaLaMg(CoO3)2" +mp-2217760,BaLaMg(CoO3)2,-6.7302476791,-1.9709722289,0.5578354772,0.5578354772,GGA+U,Pmmm,AB2CDE6_oP11_47_f_j_e_a_cdil:Ba-Co-La-Mg-O,11.0,"Invalid WP multiplicities - AB2CDE6_oP11_47_f_j_e_a_cd2i2l:Ba-Co-La-Mg-O, expected BaLaMg(CoO5)2 to be BaLaMg(CoO3)2" +mp-2226951,BaLaMg(CoO3)2,-6.7353488582,-1.976073408,0.5527342981,0.5527342981,GGA+U,Pmmm,AB2CDE6_oP11_47_e_j_f_a_cdil:Ba-Co-La-Mg-O,11.0,"Invalid WP multiplicities - AB2CDE6_oP11_47_e_j_f_a_cd2i2l:Ba-Co-La-Mg-O, expected BaLaMg(CoO5)2 to be BaLaMg(CoO3)2" +mp-2227623,BaLaMg(CoO3)2,-7.0274566345,-2.2681811843,0.2606265218,0.2606265218,GGA+U,P4mm,AB2CDE6_tP11_99_a_2b_a_a_2b2c:Ba-Co-La-Mg-O,11.0,"Invalid WP multiplicities - AB2CDE6_tP11_99_a_2b_a_a_2b3c:Ba-Co-La-Mg-O, expected BaLaMg(CoO4)2 to be BaLaMg(CoO3)2" +mp-1223118,La4Nb(CoO4)3,-8.2773840975,-2.7508565285,0.2060199376,0.2060199376,GGA+U,P-1,A3B4CD12_aP20_2_abe_2i_h_6i:Co-La-Nb-O,20.0,"Invalid WP multiplicities - A3B4CD12_aP20_2_abe_4i_h_12i:Co-La-Nb-O, expected La8Nb(CoO8)3 to be La4Nb(CoO4)3" +mp-690552,SrLaMnMoO6,-8.453472691,-2.8221428682000003,0.0535357516,0.0535357516,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:La-Mn-Mo-O-Sr,20.0,ABCD6E_mP20_7_a_a_a_6a_a:La-Mn-Mo-O-Sr +mp-1312000,La4FeSe6O,-6.7455318079,-2.2341812073,0.0290891038,0.0290891038,GGA+U,Cm,AB4CD6_mC48_8_2a_4a2b_2a_4a4b:Fe-La-O-Se,24.0,"Invalid WP multiplicities - AB4CD6_mC48_8_2a_4a3b_2a_4a7b:Fe-La-O-Se, expected La5FeSe9O to be La4FeSe6O" +mp-1296462,La4FeSe6O,-6.7452752985,-2.2339246979,0.0293456132,0.0293456132,GGA+U,Cc,AB4CD6_mC96_9_2a_8a_2a_12a:Fe-La-O-Se,48.0,AB4CD6_aP48_1_4a_16a_4a_24a:Fe-La-O-Se +mp-556875,La4FeSe6O,-6.74511452,-2.2337639194,0.0295063917,0.0295063917,GGA+U,P6_3mc,AB4CD6_hP24_186_a_bc_b_2c:Fe-La-O-Se,24.0,"Invalid WP multiplicities - AB4CD6_hP24_186_a_2b3c_b_7c:Fe-La-O-Se, expected La11FeSe21O to be La4FeSe6O" +mp-1223250,La2MnFeSe2O3,-7.97022417,-2.488453081,0.0225762555,0.0225762555,GGA+U,Immm,AB2CD3E2_oI18_71_a_f_b_ce_f:Fe-La-Mn-O-Se,9.0,AB2CD3E2_oI18_71_a_f_b_ce_f:Fe-La-Mn-O-Se +mp-552651,La2Fe2Se2O3,-7.7932146144,-2.3883317568,0.0004288753,0.0004288753,GGA+U,I4/mmm,A2B2C3D2_tI18_139_c_e_ad_e:Fe-La-O-Se,9.0,A2B2C3D2_tI18_139_c_e_ad_e:Fe-La-O-Se +mp-16841,La4MnSe6O,-6.8972784721,-2.328261698,0.0,-0.0353281488,GGA+U,P6_3mc,A4BCD6_hP24_186_bc_a_b_2c:La-Mn-O-Se,24.0,A4BCD6_hP24_186_bc_a_b_2c:La-Mn-O-Se +mp-1223368,La2Mn(SeO)2,-7.8636266446,-2.7323080904,0.002598693,-0.0227335331,GGA+U,Cc,A2BC2D2_mC56_9_4a_2a_4a_4a:La-Mn-O-Se,28.0,"Invalid WP multiplicities - A2BC2D2_mC56_9_6a_2a_6a_5a:La-Mn-O-Se, expected La6Mn2Se5O6 to be La2Mn(SeO)2" +mp-1196301,La2Mn(SeO)2,-7.866225337699999,-2.7349067834,0.0,-0.0253322261,GGA+U,Pna2_1,A2BC2D2_oP56_33_4a_2a_4a_4a:La-Mn-O-Se,56.0,A2BC2D2_oP56_62_4c_2c_4c_4c:La-Mn-O-Se +mp-1079069,La2Mn2Se2O3,-8.14793626,-2.5892769396,0.0,-0.0221594096,GGA+U,I4/mmm,A2B2C3D2_tI18_139_e_c_ad_e:La-Mn-O-Se,9.0,A2B2C3D2_tI18_139_e_c_ad_e:La-Mn-O-Se +mp-1078132,La2Fe(SeO)2,-7.63418284,-2.6017205832,0.0376516029,0.0376516029,GGA+U,C2/m,AB2C2D2_mC14_12_a_i_i_i:Fe-La-O-Se,14.0,AB2C2D2_mC14_12_a_i_i_i:Fe-La-O-Se +mp-1201876,La2Fe(SeO)2,-7.6159205116,-2.5834582548,0.0559139313,0.0559139313,GGA+U,Pna2_1,AB2C2D2_oP56_33_2a_4a_4a_4a:Fe-La-O-Se,56.0,AB2C2D2_oP56_33_2a_4a_4a_4a:Fe-La-O-Se +mp-1516720,SrCaTiNbO6,-8.473100374,-3.3358981083,0.0499030687,0.0499030687,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Ti +mp-1209752,Rb2Na2Al3(GeO4)3,-6.5723005209,-2.5235644154,0.0411256328,0.0411256328,GGA,Pmn2_1,A3B3C2D12E2_oP44_31_ab_ab_2a_2a5b_b:Al-Ge-Na-O-Rb,44.0,A3B3C2D12E2_oP44_31_ab_ab_2a_2a5b_b:Al-Ge-Na-O-Rb +mp-16126,RbNa2Ge17,-4.1794695552,-0.0686166455,0.0,-0.0095113692,GGA,Fd-3m,A17B2C_cF160_227_aeg_c_b:Ge-Na-Rb,40.0,"Invalid WP multiplicities - A17B2C_cF160_227_ae2g_c_b:Ge-Na-Rb, expected RbNa2Ge29 to be RbNa2Ge17" +mp-1219623,RbNa2Al3Ge3O13,-6.6661422048,-2.4371263429,0.0861047527,0.0861047527,GGA,Pc,A3B3C2D13E_mP44_7_3a_3a_2a_13a_a:Al-Ge-Na-O-Rb,44.0,"Invalid WP multiplicities - A3B3C2D13E_mP44_7_4a_4a_2a_18a_a:Al-Ge-Na-O-Rb, expected RbNa2Al4(Ge2O9)2 to be RbNa2Al3Ge3O13" +mp-14407,Rb7NaGe8,-3.0277542138,-0.2045987987,0.0,-0.01751029,GGA,Pa-3,A8BC7_cP64_205_cd_a_bd:Ge-Na-Rb,64.0,"Invalid WP multiplicities - A8BC7_cP64_205_4c3d_a_b2d:Ge-Na-Rb, expected Rb13NaGe26 to be Rb7NaGe8" +mp-695409,Ba7Na3Ti7Nb3O30,-8.3001461872,-3.2726777665,0.0264466342,0.0264466342,GGA,Pm,A7B3C3D30E7_mP50_6_7a_3a_3b_10a20b_7b:Ba-Na-Nb-O-Ti,50.0,A7B3C3D30E7_mP50_6_7a_3a_3b_10a20b_7b:Ba-Na-Nb-O-Ti +mp-40873,Ba3Na2Ti3Nb2O15,-8.259526470800001,-3.1998707826,0.0346097433,0.0346097433,GGA,Cmmm,A3B2C2D15E3_oC50_65_ag_g_h_bf2g2q_ch:Ba-Na-Nb-O-Ti,25.0,"Invalid WP multiplicities - A3B2C2D15E3_oC50_65_a2g_g_h_b2f3g5q_ch:Ba-Na-Nb-O-Ti, expected Ba5Na2Ti3Nb2O31 to be Ba3Na2Ti3Nb2O15" +mp-1227835,BaNaTiNbO6,-8.232253389,-3.1404104332,0.0293705564,0.0293705564,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nb-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nb-O-Ti +mp-676975,Ba3Na7Ti3Nb7O30,-8.159161281,-3.0029437902,0.037438127,0.037438127,GGA,Pm,A3B7C7D30E3_mP50_6_3a_7a_7b_10a20b_3b:Ba-Na-Nb-O-Ti,50.0,A3B7C7D30E3_mP50_6_3a_7a_7b_10a20b_3b:Ba-Na-Nb-O-Ti +mp-757922,Li4Co3Cu2Sb3O16,-6.2563301418,-1.6601486671,0.1087986732,0.1087986732,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Co-Cu-Li-O-Sb, expected Li4Co3Cu2Sb3O20 to be Li4Co3Cu2Sb3O16" +mp-763275,Li4Co3Cu2Sb3O16,-6.26061073,-1.6644292553,0.104518085,0.104518085,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Co-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Co-Cu-Li-O-Sb, expected Li4Co3Cu2Sb3O20 to be Li4Co3Cu2Sb3O16" +mp-761342,Li4Co2Cu3Sb3O16,-6.096754745,-1.6080415248,0.1133093046,0.1133093046,GGA+U,P1,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cu-Li-O-Sb,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Cu-Li-O-Sb +mp-756991,Li4Co2Cu3Sb3O16,-6.0978924832,-1.609179263,0.1121715664,0.1121715664,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Cu-Li-O-Sb,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Cu-Li-O-Sb, expected Li4Co2Cu3Sb3O20 to be Li4Co2Cu3Sb3O16" +mp-1245931,CoPtN2,-7.2390692062,0.224041035,0.2668947488,0.2668947488,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Co-N-Pt,8.0,AB2C_hP8_194_a_f_c:Co-N-Pt +mp-1214966,CoPtBr4N5Cl,-4.8891587365,0.3543892402,0.8088548608,0.8088548608,GGA,Pnma,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Co-N-Pt,48.0,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Co-N-Pt +mp-1043752,Sr2AlCrCu2O7,-6.8464348512,-2.2616006569,0.5390524166,0.5390524166,GGA+U,Cm,ABC2D7E2_mC52_8_b_2a_2b_2a6b_2b:Al-Cr-Cu-O-Sr,26.0,"Invalid WP multiplicities - ABC2D7E2_mC52_8_b_2a_3b_2a9b_3b:Al-Cr-Cu-O-Sr, expected Sr3AlCrCu3O10 to be Sr2AlCrCu2O7" +mp-1154587,Ca3Si3(NiO6)2,-7.4418736726,-2.7812090914,0.0498002168,0.0498002168,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ni-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ni-O-Si +mp-1227614,Ca4Mg3Si8NiO24,-7.766076286,-3.2479150445,0.0015194045,0.0015194045,GGA+U,P2,A4B3CD24E8_mP40_3_abcd_abc_d_12e_4e:Ca-Mg-Ni-O-Si,40.0,"Invalid WP multiplicities - A4B3CD24E8_mP40_3_abcd_abc_d_24e_8e:Ca-Mg-Ni-O-Si, expected Ca4Mg3Si16NiO48 to be Ca4Mg3Si8NiO24" +mp-1259496,MgSi2NiO6,-7.6143551082,-2.8232366025,0.0252336485,0.0252336485,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Mg-Ni-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Mg-Ni-O-Si +mp-1041887,MgSi2NiO6,-7.6255916906,-2.8344731849,0.0139970661,0.0139970661,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Mg-Ni-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Mg-Ni-O-Si, expected MgSi8NiO41 to be MgSi2NiO6" +mp-1443493,MgSiNiO5,-6.8045234506,-2.1121261611,0.2229496192,0.2229496192,GGA+U,P1,ABC5D_aP16_1_2a_2a_10a_2a:Mg-Ni-O-Si,16.0,ABC5D_aP16_1_2a_2a_10a_2a:Mg-Ni-O-Si +mp-1046737,MgSiNiO5,-6.8377913231,-2.1453940336,0.1896817467,0.1896817467,GGA+U,P-1,ABC5D_aP16_2_i_ab_5i_i:Mg-Ni-O-Si,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_ab_9i_i:Mg-Ni-O-Si, expected MgSiNiO9 to be MgSiNiO5" +mp-1043642,CaSi4NiO10,-7.8660188866,-2.9314003995,0.1408595363,0.1408595363,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Ni-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Ni-O-Si, expected CaSi4NiO22 to be CaSi4NiO10" +mp-541026,CaMg3Si3O10,-7.5050361763,-3.2374313979,0.0586756334,0.0586756334,GGA,P-1,AB3C10D3_aP68_2_2i_be5i_20i_6i:Ca-Mg-O-Si,68.0,AB3C10D3_aP68_2_2i_be5i_20i_6i:Ca-Mg-O-Si +mp-559083,Ca2MgSi2O7,-7.632599876,-3.375188472,0.0252897965,0.0252897965,GGA,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Ca-Mg-O-Si,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_4e_e_25e_8e:Ca-Mg-O-Si, expected Ca4MgSi8O25 to be Ca2MgSi2O7" +mp-6094,Ca2MgSi2O7,-7.6353053354,-3.3778939314,0.0225843372,0.0225843372,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ca-Mg-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_c2ef_e:Ca-Mg-O-Si, expected Ca2MgSi2O9 to be Ca2MgSi2O7" +mp-677780,Ca2MgSi2O7,-7.4815773158,-3.2241659118,0.1763123567,0.1763123567,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ca-Mg-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_c2e2f_e:Ca-Mg-O-Si, expected Ca2MgSi2O13 to be Ca2MgSi2O7" +mp-1267433,Mg3Si4(NiO7)2,-7.2941228143,-2.6282085714,0.1259667068,0.1259667068,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Mg-Ni-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Mg-Ni-O-Si, expected Mg3Si5NiO27 to be Mg3Si4(NiO7)2" +mp-1227744,Ca3Mg5(SiO3)8,-7.7138082307,-3.3102764007,0.0094950196,0.0094950196,GGA,P1,A3B5C24D8_aP40_1_3a_5a_24a_8a:Ca-Mg-O-Si,40.0,A3B5C24D8_aP40_1_3a_5a_24a_8a:Ca-Mg-O-Si +mp-1227106,CaMg3(SiO3)4,-7.6686808045,-3.2752819703,0.0166138198,0.0166138198,GGA,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Ca-Mg-O-Si,20.0,AB3C12D4_mC40_5_a_a2b_6c_2c:Ca-Mg-O-Si +mp-1038116,CaMg30NiO32,-6.3366047591,-2.9914769962000003,0.0144713884,0.0144713884,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ca-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ca-Mg-Ni-O, expected CaMg110NiO72 to be CaMg30NiO32" +mp-1038123,CaMg30NiO32,-6.3366322848,-2.991504522,0.0144438627,0.0144438627,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ca-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ca-Mg-Ni-O, expected CaMg90NiO80 to be CaMg30NiO32" +mp-1227274,CaMg7(SiO3)8,-7.6330873862,-3.2498215477,0.0141986119,0.0141986119,GGA,P1,AB7C24D8_aP40_1_a_7a_24a_8a:Ca-Mg-O-Si,40.0,AB7C24D8_aP40_1_a_7a_24a_8a:Ca-Mg-O-Si +mp-1022036,Mg6SiNi,-2.55018024,0.0507116362,0.2112444115,0.2112444115,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Si, expected Mg12SiNi to be Mg6SiNi" +mp-1022094,Mg6SiNi,-2.5606746094,0.0402172669,0.2007500421,0.2007500421,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-Si, expected Mg12SiNi to be Mg6SiNi" +mp-570457,Mg6Si7Ni16,-5.3591755948,-0.5294827193,0.0,-0.0429273879,GGA,Fm-3m,A6B16C7_cF116_225_e_2f_ad:Mg-Ni-Si,29.0,"Invalid WP multiplicities - A6B16C7_cF116_225_e_11f_a2d:Mg-Ni-Si, expected Mg6Si13Ni88 to be Mg6Si7Ni16" +mp-554198,CaMg(SiO)2,-5.7105009992,-1.6521854304,0.4680465158,0.4680465158,GGA,C2/c,ABC2D2_mC24_15_e_e_f_f:Ca-Mg-O-Si,12.0,ABC2D2_mC24_15_e_e_f_f:Ca-Mg-O-Si +mp-1028378,Mg14SiNi,-2.07795027,0.0226356931,0.1138982264,0.1138982264,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Si, expected Mg18SiNi to be Mg14SiNi" +mp-1028356,Mg14SiNi,-2.0640382844,0.0365476787,0.1278102121,0.1278102121,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Si, expected Mg26SiNi to be Mg14SiNi" +mp-6766,CaMg(SiO3)2,-7.7613118765,-3.3476470507,0.0,-0.0051761287,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Mg-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Mg-O-Si +mp-1019580,CaMg(SiO3)2,-7.679144609,-3.2654797832,0.0821672675,0.0769911388,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Ca-Mg-O-Si,40.0,ABC6D2_mP40_14_e_e_6e_2e:Ca-Mg-O-Si +mp-562517,CaMg(SiO3)2,-7.703533875,-3.2898690492,0.0577780015,0.0526018728,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Mg-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_10f_f:Ca-Mg-O-Si, expected CaMg(SiO10)2 to be CaMg(SiO3)2" +mp-1031808,Mg6SiNiO8,-6.3012451744,-2.5274548806,0.4093995831,0.4093995831,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Si, expected Mg6SiNiO12 to be Mg6SiNiO8" +mp-1031821,Mg6SiNiO8,-6.2675805838,-2.49379029,0.4430641737,0.4430641737,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Si, expected Mg6SiNiO12 to be Mg6SiNiO8" +mp-1227573,Ca4MgSi8(NiO8)3,-7.776118138,-3.048964065,0.0040451806,0.0040451806,GGA+U,C2,A4BC3D24E8_mC80_5_abc_a_bc_12c_4c:Ca-Mg-Ni-O-Si,40.0,"Invalid WP multiplicities - A4BC3D24E8_mC80_5_abc_a_bc_21c_7c:Ca-Mg-Ni-O-Si, expected Ca4MgSi14(NiO14)3 to be Ca4MgSi8(NiO8)3" +mp-1032984,CaMg6NiO8,-6.3351292012,-2.7750712919,0.0866013488,0.0866013488,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ca-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ca-Mg-Ni-O, expected CaMg6NiO12 to be CaMg6NiO8" +mp-1033006,CaMg6NiO8,-6.3352072263,-2.7751493169,0.0865233237,0.0865233237,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ca-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ca-Mg-Ni-O, expected CaMg6NiO12 to be CaMg6NiO8" +mp-1032962,CaMg6SiO8,-6.2328340875,-2.6949523437,0.3562500388,0.3562500388,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Si, expected CaMg6SiO12 to be CaMg6SiO8" +mp-1032982,CaMg6SiO8,-6.2581926963,-2.7203109525,0.3308914301,0.3308914301,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Si, expected CaMg6SiO12 to be CaMg6SiO8" +mp-558079,Ca3Mg(SiO4)2,-7.465655325,-3.3198535079,0.1018080425,0.1018080425,GGA,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:Ca-Mg-O-Si,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_14_8e_e_28e_5e:Ca-Mg-O-Si, expected Ca8MgSi5O28 to be Ca3Mg(SiO4)2" +mp-558209,Ca3Mg(SiO4)2,-7.5298471618,-3.3840453446,0.0376162057,0.0376162057,GGA,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:Ca-Mg-O-Si,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_14_8e_e_30e_6e:Ca-Mg-O-Si, expected Ca8Mg(SiO5)6 to be Ca3Mg(SiO4)2" +mp-1036402,CaMg14NiO16,-6.3413910888,-2.9246199438,0.0332365262,0.0332365262,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ca-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ca-Mg-Ni-O, expected CaMg18NiO20 to be CaMg14NiO16" +mp-1036381,CaMg14NiO16,-6.3411343906,-2.9243632456,0.0334932244,0.0334932244,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ca-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ca-Mg-Ni-O, expected CaMg30NiO32 to be CaMg14NiO16" +mp-6493,CaMgSiO4,-7.4828150646,-3.3659646639,0.0,-0.0160462295,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ca-Mg-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Ca-Mg-O-Si +mp-649595,CaMgSiO4,-7.4250029079,-3.3081525071,0.0578121568,0.0417659273,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ca-Mg-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c5d_c:Ca-Mg-O-Si, expected CaMgSiO17 to be CaMgSiO4" +mp-10797,CaSiNi2,-5.2746157062,-0.5268178887,0.0,-0.0411608833,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:Ca-Ni-Si,8.0,AB2C_hP8_194_c_f_a:Ca-Ni-Si +mp-1036956,Mg30SiNiO32,-6.3131465998,-2.9145857409,0.1101580995,0.1101580995,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Si, expected Mg110SiNiO72 to be Mg30SiNiO32" +mp-1036904,Mg30SiNiO32,-6.3255818183,-2.9270209594,0.0977228811,0.0977228811,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Si, expected Mg90SiNiO80 to be Mg30SiNiO32" +mp-1248859,Ca3Si4(NiO7)2,-7.5534198587,-2.8346378118,0.0582240657,0.0582240657,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Ni-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Ni-O-Si, expected Ca3Si5NiO27 to be Ca3Si4(NiO7)2" +mp-1129406,Ca2Mg5(SiO3)8,-7.6342324928,-3.1692152282,0.0435849057,0.0435849057,GGA,C2/m,A2B5C24D8_mC78_12_h_agh_2i5j_2j:Ca-Mg-O-Si,39.0,A2B5C24D8_mC78_12_h_agh_2i5j_2j:Ca-Mg-O-Si +mp-1237404,Ca2Mg5(SiO3)8,-7.4205015623,-2.9554842977,0.2573158362,0.2573158362,GGA,C2/m,A2B5C24D8_mC78_12_h_agh_2i5j_2j:Ca-Mg-O-Si,39.0,A2B5C24D8_mC78_12_h_agh_2i5j_2j:Ca-Mg-O-Si +mp-1038016,CaMg30SiO32,-6.3042966217,-2.9647129003,0.0886179199,0.0886179199,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Si, expected CaMg110SiO72 to be CaMg30SiO32" +mp-1037835,CaMg30SiO32,-6.3022279594,-2.962644238,0.0906865822,0.0906865822,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Si, expected CaMg90SiO80 to be CaMg30SiO32" +mp-1043541,MgSi4NiO10,-7.7902986592,-2.8810126616,0.1247932788,0.1247932788,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Mg-Ni-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Mg-Ni-O-Si, expected MgSi4NiO22 to be MgSi4NiO10" +mp-542138,Ca3Si2Ni3,-4.7840301844,-0.5080494669,0.0,-0.0314772408,GGA,Pnma,A3B3C2_oP32_62_3c_3c_2c:Ca-Ni-Si,32.0,A3B3C2_oP32_62_3c_3c_2c:Ca-Ni-Si +mp-1105064,Mg(SiNi)6,-5.6855736062,-0.3907268131,0.0591465434,0.0591465434,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Mg-Ni-Si,13.0,AB6C6_hP13_191_a_i_cde:Mg-Ni-Si +mp-1036359,CaMg14SiO16,-6.2751778219,-2.8694947597,0.1831265813,0.1831265813,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Si, expected CaMg18SiO20 to be CaMg14SiO16" +mp-1036298,CaMg14SiO16,-6.2802046562000005,-2.8745215941,0.1780997469,0.1780997469,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Si, expected CaMg30SiO32 to be CaMg14SiO16" +mp-1035009,Mg14SiNiO16,-6.3140119406,-2.7903746034,0.2050727781,0.2050727781,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Si, expected Mg18SiNiO20 to be Mg14SiNiO16" +mp-1034749,Mg14SiNiO16,-6.2892992809,-2.7656619438,0.2297854378,0.2297854378,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Si, expected Mg30SiNiO32 to be Mg14SiNiO16" +mp-19220,CaSi2NiO6,-7.7813830162,-2.9497325275,0.0050641163,0.0050641163,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Ni-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Ni-O-Si +mp-1042056,CaSi2NiO6,-7.725466502,-2.8938160132,0.0609806306,0.0609806306,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Ni-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Ni-O-Si, expected CaSi8NiO41 to be CaSi2NiO6" +mp-5292,Ca(SiNi)2,-5.499982376,-0.6166805160000001,0.0,-0.1000188395,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Ni-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Ni-Si +mp-1264011,CaSi4(NiO6)2,-7.5805146637,-2.6001246692,0.1186144134,0.1186144134,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Ni-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Ni-O-Si +mp-1222016,MgSiNiO4,-7.3104074468,-2.6543375032,0.0143205314,0.0143205314,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Mg-Ni-O-Si,28.0,ABC4D_oP28_62_a_c_2cd_c:Mg-Ni-O-Si +mp-1154758,Mg3Si3(NiO6)2,-7.1710668609,-2.5712002541,0.1058965024,0.1058965024,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Mg-Ni-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Mg-Ni-O-Si +mp-1227470,Ca2Si3Ni,-4.7595833717,-0.41503495,0.0944732392,0.0944732392,GGA,P-6m2,A2BC3_hP6_187_i_a_bcd:Ca-Ni-Si,6.0,A2BC3_hP6_187_i_a_bcd:Ca-Ni-Si +mp-15779,Mg2SiNi3,-4.7971358067,-0.4694211117,0.0,-0.0479721933,GGA,R-3m,A2B3C_hR18_166_c_d_a:Mg-Ni-Si,6.0,A2B3C_hR18_166_c_d_a:Mg-Ni-Si +mp-1047950,BaZnNiF7,-5.0465904162,-2.812669616,0.0417191195,0.0417191195,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Ni-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Ni-Zn, expected BaZnNiF23 to be BaZnNiF7" +mp-1357049,Ba2ZnCuNi2F14,-4.9632459772,-2.5873520240000003,0.1709784456,0.1709784456,GGA+U,P1,A2BC14D2E_aP40_1_4a_2a_28a_4a_2a:Ba-Cu-F-Ni-Zn,40.0,A2BC14D2E_aP40_1_4a_2a_28a_4a_2a:Ba-Cu-F-Ni-Zn +mp-771129,Li4Ti3Nb2Ni3O16,-7.9636713604,-2.6775211098,0.0121434225,0.0121434225,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Nb-Ni-O-Ti,56.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_2a2b_8a4b_ab:Li-Nb-Ni-O-Ti, expected Li4Ti3Nb2(Ni3O8)2 to be Li4Ti3Nb2Ni3O16" +mp-774751,Li4Ti2Nb3Ni3O16,-7.9384484786,-2.5735191914,0.0825714438,0.0825714438,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-Ti,56.0,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-Ti +mp-1217361,Ti2FeB2Ru2Rh3,-8.3650213505,-0.5388696030000001,0.0452825473,0.0452825473,GGA,Pbam,A2BC3D2E2_oP20_55_g_a_dh_h_g:B-Fe-Rh-Ru-Ti,20.0,A2BC3D2E2_oP20_55_g_a_dh_h_g:B-Fe-Rh-Ru-Ti +mp-1217239,Ti2FeB2Ru4Rh,-8.718625807,-0.5104551255,0.0005471459,0.0005471459,GGA,P2/m,A2BCD4E2_mP20_10_2m_cd_n_bh3n_2m:B-Fe-Rh-Ru-Ti,20.0,A2BCD4E2_mP20_10_2m_cg_n_be3n_2m:B-Fe-Rh-Ru-Ti +mp-1096248,Ti2RuRh,-5.4279647925,2.6794588183,3.431700705,3.431700705,GGA,Immm,ABC2_oI8_71_a_b_e:Rh-Ru-Ti,4.0,ABC2_oI8_71_a_b_e:Rh-Ru-Ti +mp-1187444,Ti2RuRh,-8.843255175,-0.7358315642000001,0.0164103225,0.0164103225,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Rh-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Rh-Ru-Ti +mp-1217491,Ti2FeB2RuRh4,-8.189857685,-0.5547154045,0.0660116852,0.0660116852,GGA,P2/m,A2BC4DE2_mP20_10_2m_cd_bh3n_n_2m:B-Fe-Rh-Ru-Ti,20.0,A2BC4DE2_mP20_10_2m_cg_be3n_n_2m:B-Fe-Rh-Ru-Ti +mp-1096228,Ti2FeRu,-5.31144311,3.0724088358,3.664379735,3.664379735,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Ru-Ti,4.0,ABC2_oI8_71_a_b_e:Fe-Ru-Ti +mp-1187428,Ti2FeRu,-8.958873055,-0.5750211092,0.01694979,0.01694979,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Ru-Ti,4.0,ABC2_cF16_225_a_b_c:Fe-Ru-Ti +mp-684003,Ti9Fe2(B4Ru9)2,-8.8808045801,-0.5463761894,0.0050083318,0.0050083318,GGA,P4/mbm,A8B2C18D9_tP74_127_2i_g_h4j_a2gi:B-Fe-Ru-Ti,74.0,"Invalid WP multiplicities - A8B2C18D9_tP74_127_11i_g_4h22j_2a4g4i:B-Fe-Ru-Ti, expected Ti13Fe(B11Ru24)2 to be Ti9Fe2(B4Ru9)2" +mp-1217246,Ti2FeB2Ru3Rh2,-8.5298373865,-0.512676172,0.0349010388,0.0349010388,GGA,P2/m,A2BC2D3E2_mP20_10_2m_cd_bhn_3n_2m:B-Fe-Rh-Ru-Ti,20.0,A2BC2D3E2_mP20_10_2m_cg_ben_3n_2m:B-Fe-Rh-Ru-Ti +mp-1196950,TePb3Cl4O3,-4.9062242041,-1.5866369425,0.0,-0.0097594227,GGA,Pna2_1,A4B3C3D_oP44_33_4a_3a_3a_a:Cl-O-Pb-Te,44.0,A4B3C3D_oP44_33_4a_3a_3a_a:Cl-O-Pb-Te +mp-1217378,TePb3(ClO2)2,-5.379878369,-1.6033708422,0.0,-0.0209358307,GGA,Amm2,A2B4C3D_oC20_38_ab_f_a2b_a:Cl-O-Pb-Te,10.0,A2B4C3D_oC20_38_ab_f_a2b_a:Cl-O-Pb-Te +mp-1193732,Te2PdPb2(ClO3)2,-5.4622730912,-1.441581297,0.0019716847,0.0019716847,GGA,P2_1/c,A2B6C2DE2_mP26_14_e_3e_e_a_e:Cl-O-Pb-Pd-Te,26.0,A2B6C2DE2_mP26_14_e_3e_e_a_e:Cl-O-Pb-Pd-Te +mp-605028,Te2Pd3Pb2,-4.5606056843000005,-0.3818126333,0.0904973271,0.0904973271,GGA,Pmmn,A2B3C2_oP14_59_ab_ac_e:Pb-Pd-Te,14.0,"Invalid WP multiplicities - A2B3C2_oP14_59_ab_2a2c_e:Pb-Pd-Te, expected TePd3Pb to be Te2Pd3Pb2" +mp-28176,Te2PdCl10,-3.3456517317,-1.0416624858,0.0099132331,0.0099132331,GGA,P2_1/c,A10BC2_mP52_14_10e_e_2e:Cl-Pd-Te,52.0,A10BC2_mP52_14_10e_e_2e:Cl-Pd-Te +mp-710168,Te2Pb3(ClO3)2,-5.4775719815,-1.5697443981,0.0181653712,0.0099127685,GGA,P1,A2B6C3D2_aP26_1_4a_12a_6a_4a:Cl-O-Pb-Te,26.0,"Invalid WP multiplicities - A2B6C3D2_mC52_12_3i_2g2i7j_5i_3i:Cl-O-Pb-Te, expected Te3Pb5(ClO6)3 to be Te2Pb3(ClO3)2" +mp-554952,Te2Pb3(ClO3)2,-5.4957373527,-1.5879097693,0.0,-0.0082526026,GGA,C2/m,A2B6C3D2_mC52_12_2i_gi2j_3i_2i:Cl-O-Pb-Te,26.0,"Invalid WP multiplicities - A2B6C3D2_mC52_12_3i_2g2i7j_5i_3i:Cl-O-Pb-Te, expected Te3Pb5(ClO6)3 to be Te2Pb3(ClO3)2" +mp-979272,TePdO3,-5.225936404,-0.5932856366,0.6202298912,0.6202298912,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pd-Te,5.0,A3BC_cP5_221_c_a_b:O-Pd-Te +mp-1214567,Ba3Sr2As3ClO12,-6.7645835248,-2.7492469468,0.0007403845,0.0007403845,GGA,P6_3/m,A3B3CD12E2_hP42_176_h_h_b_2hi_f:As-Ba-Cl-O-Sr,42.0,A3B3CD12E2_hP42_176_h_h_b_2hi_f:As-Ba-Cl-O-Sr +mp-556761,Ba5As3ClO12,-6.7802999188,-2.7431079612,0.0,-0.0306707748,GGA,P6_3/m,A3B5CD12_hP42_176_h_fh_b_2hi:As-Ba-Cl-O,42.0,"Invalid WP multiplicities - A3B5CD12_hP42_176_h_3f3h_b_9h8i:As-Ba-Cl-O, expected Ba15As3ClO75 to be Ba5As3ClO12" +mp-1342931,MgTiF5,-6.3782207054,-3.656339719,0.0827372046,0.0827372046,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mg-Ti,28.0,A5BC_mP28_14_5e_e_e:F-Mg-Ti +mp-1443056,MgTiF5,-6.3948781779,-3.6729971915,0.0660797321,0.0660797321,GGA,C2/c,A5BC_mC28_15_e2f_e_a:F-Mg-Ti,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_e_c:F-Mg-Ti, expected MgTiF7 to be MgTiF5" +mp-12730,Ba2YbRuO6,-7.093992353,-2.6607830562,0.0,-0.067227627,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Yb,,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Yb +mp-2217773,Ba2YbMgRuO6,-6.6618844318,-2.4862141575,0.2612640995,0.2612640995,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Ru-Yb,,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Ru-Yb, expected Ba2YbMgRuO12 to be Ba2YbMgRuO6" +mp-2217806,Ba2YbMgRuO6,-6.60704417,-2.4313738957,0.3161043613,0.3161043613,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ru-Yb,,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Ru-Yb, expected Ba2YbMgRuO15 to be Ba2YbMgRuO6" +mp-2217338,Ba2YbMgRuO6,-6.6111662282,-2.4354959539,0.3119823031,0.3119823031,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ru-Yb,,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Ru-Yb, expected Ba2YbMgRuO15 to be Ba2YbMgRuO6" +mp-1233508,Yb4Mg(Ru2O7)2,-7.284890923,-2.3235880845,0.0508005787,0.0508005787,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Mg-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a8b_ab_ab:Mg-O-Ru-Yb, expected Yb4Mg(Ru2O13)2 to be Yb4Mg(Ru2O7)2" +mp-1233438,Yb4Mg(Ru2O7)2,-7.2143505139,-2.2530476753,0.1213409878,0.1213409878,GGA,F-43m,AB14C4D4_cF92_216_a_bcfg_e_e:Mg-O-Ru-Yb,,"Invalid WP multiplicities - AB14C4D4_cF92_216_a_bc2f2g_e_e:Mg-O-Ru-Yb, expected Yb4Mg(Ru2O13)2 to be Yb4Mg(Ru2O7)2" +mp-541743,Ba3YbRu2O9,-7.2308549533,-2.5398191813,0.0,-0.0363030149,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Yb,,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Yb +mp-1518162,SrLaEuSbO6,-8.1004040555,-3.0312404689,0.0201600796,0.0201600796,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Eu-La-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Eu-La-O-Sb-Sr, expected SrLaEuSbO12 to be SrLaEuSbO6" +mp-1518014,SrLaEuSbO6,-8.048746633,-2.9795830464,0.0718175021,0.0718175021,GGA,P-4n2,ABC6DE_tP20_118_c_a_ei_b_d:Eu-La-O-Sb-Sr,20.0,ABC6DE_tP20_118_c_a_ei_b_d:Eu-La-O-Sb-Sr +mp-1518260,SrLaEuSbO6,-7.988199128,-2.9190355414,0.1323650071,0.1323650071,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-La-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-La-O-Sb-Sr +mp-1214459,Ba8Ho3(Pt2O9)2,-6.9804699988,-2.6645925378,0.0,-0.0102254732,GGA,Pm-3m,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Ho-O-Pt,33.0,A8B3C18D4_cP33_221_g_d_eh_ac:Ba-Ho-O-Pt +mp-6795,Ba5Ho8Zn4O21,-7.3446561661,-3.261140823,0.0096760765,0.0096760765,GGA,I4/m,A5B8C21D4_tI76_87_ah_2h_bh2i_h:Ba-Ho-O-Zn,38.0,"Invalid WP multiplicities - A5B8C21D4_tI76_87_ah_2h_b2h2i_h:Ba-Ho-O-Zn, expected Ba5Ho8Zn4O25 to be Ba5Ho8Zn4O21" +mp-1184692,Ho2ZnPt,-4.9319667225,-0.8080430550000001,0.0223784668,0.0223784668,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ho-Pt-Zn,4.0,A2BC_cF16_225_c_a_b:Ho-Pt-Zn +mp-6501,BaHo2ZnO5,-7.3935940775,-3.2739296501,0.019003242,0.019003242,GGA,Pnma,AB2C5D_oP36_62_c_2c_c2d_c:Ba-Ho-O-Zn,36.0,"Invalid WP multiplicities - AB2C5D_oP36_62_c_4c_c2d_c:Ba-Ho-O-Zn, expected BaHo4ZnO5 to be BaHo2ZnO5" +mp-555188,Ba17Ho16Zn8Pt4O57,-7.1372648165,-2.9974133008,0.0,-0.005854515,GGA,I4/m,A17B16C57D4E8_tI204_87_a4h_4h_b4h5i_h_2h:Ba-Ho-O-Pt-Zn,102.0,"Invalid WP multiplicities - A17B16C57D4E8_tI204_87_a15h_14h_b16h36i_h_5h:Ba-Ho-O-Pt-Zn, expected Ba61Ho56Zn20Pt4O353 to be Ba17Ho16Zn8Pt4O57" +mp-1233443,Ba10MgAs6(ClO12)2,-6.6493412707,-2.668821683,0.0683721389,0.0683721389,GGA,P1,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O,43.0,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O +mp-1234135,Ba10MgAs6(ClO12)2,-6.6680959049,-2.6875763172,0.0496175047,0.0496175047,GGA,P1,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O,43.0,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O +mp-1234241,Ba10MgAs6(ClO12)2,-6.6397044884,-2.6591849007,0.0780089212,0.0780089212,GGA,P1,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O,43.0,A6B10C2DE24_aP43_1_6a_10a_2a_a_24a:As-Ba-Cl-Mg-O +mp-1233931,Ba10MgAs6(ClO12)2,-6.6258185084,-2.6452989207,0.0918949012,0.0918949012,GGA,P-1,A6B10C2DE24_aP43_2_3i_5i_ad_b_12i:As-Ba-Cl-Mg-O,43.0,"Invalid WP multiplicities - A6B10C2DE24_aP43_2_6i_8i_ad_b_24i:As-Ba-Cl-Mg-O, expected Ba16MgAs12(ClO24)2 to be Ba10MgAs6(ClO12)2" +mp-1233353,Ba10MgAs6(ClO12)2,-6.6014295442,-2.6209099565,0.1162838654,0.1162838654,GGA,Pm,A6B10C2DE24_mP43_6_3a3b_3a3b2c_c_a_6a6b6c:As-Ba-Cl-Mg-O,43.0,"Invalid WP multiplicities - A6B10C2DE24_mP43_6_3a3b_3a3b4c_c_a_6a6b11c:As-Ba-Cl-Mg-O, expected Ba14MgAs6(ClO17)2 to be Ba10MgAs6(ClO12)2" +mp-1233985,Ba10MgAs6(ClO12)2,-6.4961336898,-2.5156141021,0.2215797198,0.2215797198,GGA,Pm,A6B10C2DE24_mP43_6_3a3b_3a3b2c_c_a_6a6b6c:As-Ba-Cl-Mg-O,43.0,"Invalid WP multiplicities - A6B10C2DE24_hP43_174_2j3k_2g2h2j2k_i_a_5j6k9l:As-Ba-Cl-Mg-O, expected Ba20MgAs15Cl2O87 to be Ba10MgAs6(ClO12)2" +mp-1234065,Ba10MgAs6(ClO12)2,-6.617065296,-2.6365457084,0.1006481135,0.1006481135,GGA,Pm,A6B10C2DE24_mP43_6_3a3b_3a3b2c_c_a_6a6b6c:As-Ba-Cl-Mg-O,43.0,"Invalid WP multiplicities - A6B10C2DE24_mP43_6_3a3b_3a3b4c_c_a_6a6b11c:As-Ba-Cl-Mg-O, expected Ba14MgAs6(ClO17)2 to be Ba10MgAs6(ClO12)2" +mp-1234752,Ba10MgAs6(ClO12)2,-6.6359176384000005,-2.6553980507,0.0817957712,0.0817957712,GGA,Pm,A6B10C2DE24_mP43_6_3a3b_3a3b2c_c_a_6a6b6c:As-Ba-Cl-Mg-O,43.0,"Invalid WP multiplicities - A6B10C2DE24_mP43_6_3a3b_3a3b4c_c_a_6a6b11c:As-Ba-Cl-Mg-O, expected Ba14MgAs6(ClO17)2 to be Ba10MgAs6(ClO12)2" +mp-8280,Ba(MgAs)2,-3.832610436,-0.945056066,0.0,-0.1720133087,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ba-Mg,5.0,A2BC2_hP5_164_d_a_d:As-Ba-Mg +mp-1522546,BaCaSmNbO6,-8.2217661555,-3.3793063293,0.0723295047,0.0723295047,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Nb-O-Sm,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Nb-O-Sm, expected BaCaSmNbO12 to be BaCaSmNbO6" +mp-1522556,BaCaSmNbO6,-8.2259329887,-3.3834731625,0.0681626714,0.0681626714,GGA,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Nb-O-Sm,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Nb-O-Sm +mp-1522614,BaCaSmNbO6,-8.124425318,-3.2819654918,0.1696703422,0.1696703422,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Sm +mp-1518106,NaSrHfBiO6,-7.26785399,-2.6188710726,0.0853726495,0.0853726495,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Hf-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Hf-Na-O-Sr +mp-697231,TlAgAs2PbS5,-4.3784097229,-0.4875764865,0.0251636036,0.0221387353,GGA,P1,AB2CD5E_aP100_1_10a_20a_10a_50a_10a:Ag-As-Pb-S-Tl,100.0,AB2CD5E_aP100_1_10a_20a_10a_50a_10a:Ag-As-Pb-S-Tl +mp-677611,TlAgAs2PbS5,-4.4035733265,-0.5127400901,0.0,-0.0030248683,GGA,P-1,AB2CD5E_aP20_2_i_2i_i_5i_i:Ag-As-Pb-S-Tl,20.0,"Invalid WP multiplicities - AB2CD5E_aP20_2_i_3i_i_9i_i:Ag-As-Pb-S-Tl, expected TlAgAs3PbS9 to be TlAgAs2PbS5" +mp-583184,Tl3Ag3(AsS3)2,-3.9920590439,-0.440449511,0.0,-0.0123168496,GGA,P2_1/c,A3B2C6D3_mP56_14_3e_2e_6e_3e:Ag-As-S-Tl,56.0,"Invalid WP multiplicities - A3B2C6D3_mP56_14_8e_5e_22e_7e:Ag-As-S-Tl, expected Tl7Ag8As5S22 to be Tl3Ag3(AsS3)2" +mp-22665,AgAsPbS3,-4.4394830133,-0.5038711668,0.0,-0.0004422476,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:Ag-As-Pb-S,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_4e:Ag-As-Pb-S, expected AgAsPbS4 to be AgAsPbS3" +mp-542172,YbMgGe,-3.1866320467,-0.5989933183,0.0,-0.1312055656,GGA,Pnma,ABC_oP12_62_c_c_c:Ge-Mg-Yb,,ABC_oP12_62_c_c_c:Ge-Mg-Yb +mp-1215641,YbCuGe,-3.8162441767,-0.3956299083,0.1470076533,0.1114085872,GGA,P-3m1,ABC_hP6_164_d_d_c:Cu-Ge-Yb,,ABC_hP6_164_d_d_c:Cu-Ge-Yb +mp-567768,YbCuGe,-3.96239029,-0.5417760217,0.00086154,-0.0347375261,GGA,P6_3mc,ABC_hP6_186_b_b_a:Cu-Ge-Yb,,ABC_hP6_194_c_d_a:Cu-Ge-Yb +mp-5111,YbCuGe,-3.96325183,-0.5426375617,0.0,-0.0355990661,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Ge-Yb,,ABC_hP6_194_c_d_a:Cu-Ge-Yb +mp-13306,YbCuGe,-3.80160145,-0.3809871817,0.16165038,0.1260513139,GGA,F-43m,ABC_cF12_216_c_a_b:Cu-Ge-Yb,,ABC_cF12_216_c_a_b:Cu-Ge-Yb +mp-9495,Yb2Cu(GeO3)4,-6.7020163311,-2.2267111108,0.0151422781,0.0151422781,GGA,P-1,AB4C12D2_aP19_2_a_2i_6i_i:Cu-Ge-O-Yb,,"Invalid WP multiplicities - AB4C12D2_aP19_2_a_2i_7i_i:Cu-Ge-O-Yb, expected Yb2Cu(Ge2O7)2 to be Yb2Cu(GeO3)4" +mp-13401,Yb(CuGe)2,-4.244002494,-0.447187028,0.0,-0.0803807644,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Cu-Ge-Yb,,A2B2C_tI10_139_d_e_a:Cu-Ge-Yb +mp-1207620,Yb4MgCu,-2.0986013633,-0.12228139,0.0023443663,0.0023443663,GGA,F-43m,ABC4_cF96_216_e_e_efg:Cu-Mg-Yb,,ABC4_cF96_216_e_e_efg:Cu-Mg-Yb +mp-1189806,Yb2CuGe6,-4.2650283439,-0.3854071928,0.0,-0.0027330458,GGA,C2/m,AB6C2_mC36_12_i_4ij_j:Cu-Ge-Yb,,AB6C2_mC36_12_i_4ij_j:Cu-Ge-Yb +mp-1079209,Yb2CuGe6,-4.1907374156,-0.3111162644,0.0742909283,0.0715578825,GGA,Amm2,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Yb,,AB6C2_oC18_38_a_4a2b_2b:Cu-Ge-Yb +mp-13227,YbMg2Cu9,-3.6589771829,-0.1895581488,0.0,-0.0047287854,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Yb,,"Invalid WP multiplicities - A9B2C_hP24_194_abc2k_f_d:Cu-Mg-Yb, expected YbMg2Cu15 to be YbMg2Cu9" +mp-674347,Yb4MgGe4,-3.5331458503,-0.6163875625,0.0044693109,0.0044693109,GGA,Pnma,A4BC4_oP36_62_2cd_c_2d:Ge-Mg-Yb,,"Invalid WP multiplicities - A4BC4_oP36_62_6c4d_c_7d:Ge-Mg-Yb, expected Yb14MgGe14 to be Yb4MgGe4" +mp-1095653,Yb3(CuGe)4,-4.0904216664,-0.4988068536,0.0004441018,0.0004441018,GGA,Immm,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Yb,,A4B4C3_oI22_71_n_eg_bf:Cu-Ge-Yb +mp-645504,Yb23Mg4Cu7,-2.2164888578,-0.1427665834,0.0,-0.0053377732,GGA,P6_3/mmc,A7B4C23_hP68_194_ck_ah_fh3k:Cu-Mg-Yb,,"Invalid WP multiplicities - A7B4C23_hP68_194_2c2k_2ah_4f5h30k:Cu-Mg-Yb, expected Yb203Mg5Cu14 to be Yb23Mg4Cu7" +mp-2230030,Yb2MgCu(GeO3)4,-6.737181849,-2.4056278873,0.0235993913,0.0235993913,GGA,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Yb,,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Yb +mp-2230206,Yb2MgCu(GeO3)4,-6.7300604065,-2.3985064448,0.0307208338,0.0307208338,GGA,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Yb,,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cu-Ge-Mg-O-Yb +mp-2230043,Yb2MgCu(GeO3)4,-6.681243617,-2.3496896552,0.0795376233,0.0795376233,GGA,P-1,AB4CD12E2_aP20_2_a_2i_d_6i_i:Cu-Ge-Mg-O-Yb,,"Invalid WP multiplicities - AB4CD12E2_aP20_2_a_2i_d_7i_i:Cu-Ge-Mg-O-Yb, expected Yb2MgCu(Ge2O7)2 to be Yb2MgCu(GeO3)4" +mp-686293,Yb15Mg5Ge16,-3.5121047863,-0.5936611715,0.0176541225,0.0176541225,GGA,Pc,A16B5C15_mP72_7_16a_5a_15a:Ge-Mg-Yb,,A16B5C15_mP72_7_32a_10a_30a:Ge-Mg-Yb +mp-1025021,YbMgCu4,-3.500678615,-0.2445594467,0.0,-0.0254813765,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Mg-Yb,,A4BC_cF24_216_e_a_c:Cu-Mg-Yb +mp-685798,Yb7Mg3Ge8,-3.3228446812,-0.4027157396,0.199057975,0.199057975,GGA,P2_1/c,A8B3C7_mP72_14_8e_3e_7e:Ge-Mg-Yb,,"Invalid WP multiplicities - A8B3C7_mP72_14_29e_9e_27e:Ge-Mg-Yb, expected Yb27Mg9Ge29 to be Yb7Mg3Ge8" +mp-1518827,BaCaTbBiO6,-7.0167590485,-2.8088028168,0.0051783653,0.0051783653,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Ca-O-Tb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Ca-O-Tb, expected BaCaTbBiO12 to be BaCaTbBiO6" +mp-1518633,BaCaTbBiO6,-7.01699513,-2.8090388982,0.0049422838,0.0049422838,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Tb,40.0,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Tb +mp-1518866,BaCaTbBiO6,-6.9150871160000005,-2.7071308842,0.1068502978,0.1068502978,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Tb +mp-573196,Cs3Li2Ga(MoO4)4,-7.2771138573,-2.1978150615,0.0053369234,0.0053369234,GGA+U,I-42d,A3BC2D4E16_tI104_122_ad_b_d_e_4e:Cs-Ga-Li-Mo-O,52.0,"Invalid WP multiplicities - A3BC2D4E16_tI104_122_ad_b_d_e_28e:Cs-Ga-Li-Mo-O, expected Cs3Li2Ga(MoO28)4 to be Cs3Li2Ga(MoO4)4" +mp-555140,Cs2Li3GaO4,-5.039410306,-2.0061678848,0.0,-0.018324811,GGA,Ibam,A2BC3D4_oI40_72_j_a_bf_k:Cs-Ga-Li-O,20.0,"Invalid WP multiplicities - A2BC3D4_oI40_72_j_a_2b2f_k:Cs-Ga-Li-O, expected Cs2Li6GaO4 to be Cs2Li3GaO4" +mp-1522041,EuHfFeBiO6,-8.804462968,-2.5839796242,0.1528540375,0.1528540375,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Bi-Eu-Fe-Hf-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Bi-Eu-Fe-Hf-O +mp-1336407,CaCoNi2O7,-6.1516262585,-1.12426153,0.2548761321,0.2548761321,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Ca-Co-Ni-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_3e_2e_7e_17e:Ca-Co-Ni-O, expected Ca3Co2Ni7O17 to be CaCoNi2O7" +mp-1520155,BaNdHf4O12,-9.3066117506,-3.4246038046,0.18429981,0.18429981,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ba-Hf-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ba-Hf-Nd-O, expected BaNdHf4O18 to be BaNdHf4O12" +mp-1521367,BaNdZr4O12,-8.8265351656,-3.257746864,0.1991348516,0.1991348516,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ba-Nd-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ba-Nd-O-Zr, expected BaNdZr4O18 to be BaNdZr4O12" +mp-1516816,BaNdHfZrO6,-9.012477106,-3.525262676,0.1952561851,0.1952561851,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-Nd-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Hf-Nd-O-Zr +mp-1521430,BaNdZr2O6,-8.848252151,-3.501986561,0.143095024,0.143095024,GGA,Cmmm,ABC6D2_oC20_65_a_b_ehj_f:Ba-Nd-O-Zr,10.0,ABC6D2_oC20_65_a_b_ehj_f:Ba-Nd-O-Zr +mp-1521402,BaNdZr2O6,-8.822412154,-3.476146564,0.168935021,0.168935021,GGA,P4/mmm,ABC6D2_tP10_123_c_d_abi_g:Ba-Nd-O-Zr,10.0,"Invalid WP multiplicities - ABC6D2_tP10_123_c_d_ab2i_g:Ba-Nd-O-Zr, expected BaNdZr2O10 to be BaNdZr2O6" +mp-1521502,BaNdZr2O6,-8.8120276417,-3.4657620517,0.1793195332,0.1793195332,GGA,P4/mmm,ABC6D2_tP40_123_ade_bcf_jkst_r:Ba-Nd-O-Zr,40.0,"Invalid WP multiplicities - ABC6D2_tP40_123_ad2e_bc2f_jk6s6t_r:Ba-Nd-O-Zr, expected Ba3Nd3Zr4O52 to be BaNdZr2O6" +mp-1521540,BaNdZr2O6,-8.8185776295,-3.4723120395,0.1727695455,0.1727695455,GGA,Pm-3m,ABC6D2_cP40_221_ad_bc_ij_g:Ba-Nd-O-Zr,40.0,"Invalid WP multiplicities - ABC6D2_cP40_221_ad_bc_7i7j_g:Ba-Nd-O-Zr, expected BaNdZr2O42 to be BaNdZr2O6" +mp-2226133,EuMgCrO3,-8.1861186683,-2.127719426,0.6218102417,0.6218102417,GGA+U,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Cr-Eu-Mg-O,6.0,ABCD3_tP6_123_b_c_d_ae:Cr-Eu-Mg-O +mp-1522001,BaCaSmMnO6,-7.452240312,-2.7037094605,0.1787079558,0.1787079558,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-Sm +mp-1229299,BaLaCrMoO6,-8.429056058,-2.7256748688,0.1361225315,0.1361225315,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-La-Mo-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Cr-La-Mo-O +mp-1521803,BaSrGaBiO6,-6.343250965,-2.3275323837,0.0577119571,0.0577119571,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ga-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Ga-O-Sr +mp-1227665,BaSrGa4,-3.1013049883,-0.4811629078,0.0005568583,0.0005568583,GGA,P6/mmm,AB4C_hP6_191_a_h_b:Ba-Ga-Sr,6.0,AB4C_hP6_191_a_h_b:Ba-Ga-Sr +mp-677231,CaNd2Ti2ZnO9,-8.2831567723,-3.4089687197,0.0341714245,0.0341714245,GGA,P1,AB2C9D2E_aP60_1_4a_8a_36a_8a_4a:Ca-Nd-O-Ti-Zn,60.0,AB2C9D2E_aP60_1_4a_8a_36a_8a_4a:Ca-Nd-O-Ti-Zn +mp-559084,Na4Al3Ge3BrO12,-6.5734164317,-2.6034509929,0.0,-0.0259323064,GGA,P-43n,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Br-Ge-Na-O,46.0,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Br-Ge-Na-O +mp-1521662,CaNbFeSnO6,-7.828133875,-2.4014708498,0.1937564651,0.1937564651,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nb-O-Sn +mp-13432,Tb2AlCo2,-5.823256388,-0.377067664,0.0,-0.0395757363,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Co-Tb,5.0,AB2C2_oI10_71_a_f_h:Al-Co-Tb +mp-1217686,Tb2Al3Co,-5.0453203183,-0.4430240708,0.0382535492,0.0382535492,GGA,R-3m,A3BC2_hR18_166_d_a_c:Al-Co-Tb,6.0,A3BC2_hR18_166_d_a_c:Al-Co-Tb +mp-1217565,TbAlCo4,-6.3791006783,-0.24356516,0.0671130583,0.0671130583,GGA,Cmmm,AB4C_oC12_65_a_eh_c:Al-Co-Tb,6.0,AB4C_oC12_65_a_eh_c:Al-Co-Tb +mp-1046139,Ba2Mg2Ti3Tl2O10,-7.0996894032,-2.6303652223,0.4193404699,0.4193404699,GGA,P1,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Mg-O-Ti-Tl,19.0,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Mg-O-Ti-Tl +mp-1342134,Ba2Mg3Ti4Tl2O12,-7.158359147,-2.6233022372,0.4200422053,0.4200422053,GGA,I4/mmm,A2B3C12D4E2_tI46_139_e_ae_2e2g_2e_e:Ba-Mg-O-Ti-Tl,23.0,"Invalid WP multiplicities - A2B3C12D4E2_tI46_139_e_ae_4e6g_3e_e:Ba-Mg-O-Ti-Tl, expected Ba2Mg3Ti6Tl2O32 to be Ba2Mg3Ti4Tl2O12" +mp-2229850,Ba2MgTi3Tl2O10,-7.4294685044,-2.800752983,0.2317349807,0.2317349807,GGA,P1,A2BC10D3E2_aP18_1_2a_a_10a_3a_2a:Ba-Mg-O-Ti-Tl,18.0,A2BC10D3E2_aP18_1_2a_a_10a_3a_2a:Ba-Mg-O-Ti-Tl +mp-2228865,Ba2MgTi3Tl2O10,-7.4307381317,-2.8020226102,0.2304653535,0.2304653535,GGA,P1,A2BC10D3E2_aP18_1_2a_a_10a_3a_2a:Ba-Mg-O-Ti-Tl,18.0,A2BC10D3E2_aP18_1_2a_a_10a_3a_2a:Ba-Mg-O-Ti-Tl +mp-1220839,NaLaTi8(CuO4)6,-7.9967925948,-2.6783366542,0.0467194244,0.0467194244,GGA,Pm-3,A6BCD24E8_cP40_200_cd_a_b_jk_i:Cu-La-Na-O-Ti,40.0,"Invalid WP multiplicities - A6BCD24E8_cP40_200_2c3d_a_b_7j6k_i:Cu-La-Na-O-Ti, expected NaLaTi8(Cu5O52)3 to be NaLaTi8(CuO4)6" +mp-1221062,NaNd3Ti3MnO12,-8.7943016075,-3.4025154341,0.0233352067,0.0233352067,GGA+U,P1,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Mn-Na-Nd-O-Ti,20.0,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Mn-Na-Nd-O-Ti +mp-694881,NaNd3Ti3MnO12,-8.7637741303,-3.3719879568,0.053862684,0.053862684,GGA+U,P2_1,ABC3D12E3_mP40_4_a_a_3a_12a_3a:Mn-Na-Nd-O-Ti,40.0,"Invalid WP multiplicities - ABC3D12E3_mP40_4_a_a_6a_24a_4a:Mn-Na-Nd-O-Ti, expected NaNd6Ti4MnO24 to be NaNd3Ti3MnO12" +mp-532608,Na5Nd11Ti10Mn6O48,-8.6199906499,-3.2396116713,0.0194198608,0.0194198608,GGA+U,P1,A6B5C11D48E10_aP80_1_6a_5a_11a_48a_10a:Mn-Na-Nd-O-Ti,80.0,A6B5C11D48E10_aP80_1_6a_5a_11a_48a_10a:Mn-Na-Nd-O-Ti +mp-555485,Rb2GdGa(SiO3)4,-8.1390211473,-3.1326799941,0.0,-0.0524862367,GGA,C2/c,ABC12D2E4_mC160_15_f_f_12f_2f_4f:Ga-Gd-O-Rb-Si,80.0,"Invalid WP multiplicities - ABC12D2E4_mC160_15_f_f_44f_2f_14f:Ga-Gd-O-Rb-Si, expected Rb2GdGa(Si7O22)2 to be Rb2GdGa(SiO3)4" +mp-1522789,SrNdEuSbO6,-8.0675513875,-3.0151737682,0.0031243216,0.0031243216,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Eu-Nd-O-Sb-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Eu-Nd-O-Sb-Sr, expected SrNdEuSbO12 to be SrNdEuSbO6" +mp-1522799,SrNdEuSbO6,-8.0258822915,-2.9735046722,0.0447934176,0.0447934176,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:Eu-Nd-O-Sb-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_f_2c2d:Eu-Nd-O-Sb-Sr, expected Sr2NdEuSbO12 to be SrNdEuSbO6" +mp-1522919,SrNdEuSbO6,-7.968239586,-2.9158619667,0.1024361231,0.1024361231,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nd-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Nd-O-Sb-Sr +mp-1226861,Ce3AsS3,-7.0314943079,-2.0503892406,0.0211505607,0.0211505607,GGA,Cc,AB3C3_mC28_9_a_3a_3a:As-Ce-S,14.0,"Invalid WP multiplicities - AB3C3_mC28_9_a_4a_6a:As-Ce-S, expected Ce4AsS6 to be Ce3AsS3" +mp-675514,Ce3AsS3,-7.0316366089,-2.0505315417,0.0210082596,0.0210082596,GGA,P2_13,AB3C3_cP28_198_a_b_3a:As-Ce-S,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_b_10a:As-Ce-S, expected Ce3AsS10 to be Ce3AsS3" +mp-572902,Cs2CeAsS3Cl2,-4.9191265178,-1.753633715,0.0212493368,0.0212493368,GGA,Pnma,ABC2D2E3_oP36_62_c_c_2c_2c_cd:As-Ce-Cl-Cs-S,36.0,"Invalid WP multiplicities - ABC2D2E3_oP36_62_c_c_4c_3c_3c3d:As-Ce-Cl-Cs-S, expected Cs3CeAsS9Cl4 to be Cs2CeAsS3Cl2" +mp-1095615,CeAsS,-6.6312661258,-1.7217136502,0.0337285108,-0.097754335,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ce-S,12.0,ABC_oP12_62_c_c_c:As-Ce-S +mp-1095675,CeAsS,-6.6649946367,-1.755442161,0.0,-0.1314828458,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ce-S,12.0,ABC_oP12_62_c_c_c:As-Ce-S +mp-5908,CeAsS,-6.6402849083,-1.7307324327,0.0247097283,-0.1067731175,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-Ce-S,6.0,ABC_tP6_129_a_c_c:As-Ce-S +mp-1521478,NaCaCeSbO6,-7.039516714,-2.7324819304,0.1533749872,0.1533749872,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Ce-Na-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Ce-Na-O-Sb +mp-1218011,SrPr3CrNiO8,-8.1096309336,-3.0354234651,0.0287808708,0.0287808708,GGA+U,Amm2,ABC8D3E_oC28_38_a_b_2a2bf_a2b_a:Cr-Ni-O-Pr-Sr,14.0,ABC8D3E_oC28_38_a_b_2a2bf_a2b_a:Cr-Ni-O-Pr-Sr +mp-1218722,Sr2Pr2CrNiO8,-7.7294599621,-2.8760676581,0.0272638411,0.0272638411,GGA+U,Amm2,ABC8D2E2_oC28_38_a_b_2a2bf_ab_ab:Cr-Ni-O-Pr-Sr,14.0,ABC8D2E2_oC28_38_a_b_2a2bf_ab_ab:Cr-Ni-O-Pr-Sr +mp-1173249,Sr3Pr7Cr9NiO30,-8.465198787,-2.8733378691,0.0477600596,0.0477600596,GGA+U,P1,A9BC30D7E3_aP100_1_18a_2a_60a_14a_6a:Cr-Ni-O-Pr-Sr,100.0,A9BC30D7E3_aP100_1_18a_2a_60a_14a_6a:Cr-Ni-O-Pr-Sr +mp-1520138,BaNdEuBiO6,-7.829569914,-2.783095357,0.0808246523,0.0808246523,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Eu-Nd-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Eu-Nd-O, expected BaNdEuBiO12 to be BaNdEuBiO6" +mp-1520271,BaNdEuBiO6,-7.714439486,-2.667964929,0.1959550803,0.1959550803,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Nd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-Nd-O +mp-29716,TaTeBr9,-3.8336173445,-1.1992229361,0.0,-0.0040570325,GGA,P2_1/m,A9BC_mP22_11_3e3f_e_e:Br-Ta-Te,22.0,A9BC_mP22_11_3e3f_e_e:Br-Ta-Te +mp-560333,Ta2Te4Br10O,-4.5684193724,-1.229257558,0.0007984624,0.0007984624,GGA,P-1,A10BC2D4_aP17_2_5i_a_i_2i:Br-O-Ta-Te,17.0,"Invalid WP multiplicities - A10BC2D4_aP17_2_9i_a_i_2i:Br-O-Ta-Te, expected Ta2Te4Br18O to be Ta2Te4Br10O" +mp-1233394,MgTa2Te4Br10O,-4.5078705361,-1.2653132642,0.0917239279,0.0917239279,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te +mp-1234664,MgTa2Te4Br10O,-4.4881046006,-1.2455473286,0.1114898634,0.1114898634,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te +mp-1234934,MgTa2Te4Br10O,-4.5185020167,-1.2759447447,0.0810924473,0.0810924473,GGA,P1,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te,18.0,A10BCD2E4_aP18_1_10a_a_a_2a_4a:Br-Mg-O-Ta-Te +mp-29427,Ta(TeBr3)2,-4.1426417178,-1.0912462293,0.0053644216,0.0053644216,GGA,P-1,A6BC2_aP18_2_6i_i_2i:Br-Ta-Te,18.0,A6BC2_aP18_2_6i_i_2i:Br-Ta-Te +mp-1517969,EuHfNbSnO6,-9.362740579,-2.9622205798000003,0.1854534091,0.1854534091,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Nb-O-Sn +mp-17064,Gd2Sn2O7,-9.4321956895,-2.9959948560000003,0.0,-0.0750078518,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Gd-O-Sn,22.0,A2B7C2_cF88_227_c_af_d:Gd-O-Sn +mp-1521621,BaGdNbSnO6,-8.958544783,-2.9799341488,0.1305077393,0.1305077393,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Gd-Nb-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Gd-Nb-O-Sn, expected BaGdNbSnO12 to be BaGdNbSnO6" +mp-1521784,BaGdNbSnO6,-8.9532427293,-2.974632095,0.135809793,0.135809793,GGA,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:Ba-Gd-Nb-O-Sn,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_f_6m_2c2d:Ba-Gd-Nb-O-Sn, expected BaGdNb(SnO6)2 to be BaGdNbSnO6" +mp-1521883,BaGdNbSnO6,-8.906627691,-2.9280170567,0.1824248313,0.1824248313,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Gd-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Gd-Nb-O-Sn +mp-2232487,Tm2MgMo2(ClO4)2,-7.6738741293,-2.6396185209,0.1636035645,0.1636035645,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Tm,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Tm, expected Tm2MgMo2(ClO7)2 to be Tm2MgMo2(ClO4)2" +mp-2232507,Tm2MgMo2(ClO4)2,-7.7009748247,-2.6667192162,0.1365028692,0.1365028692,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Tm,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_7c_c:Cl-Mg-Mo-O-Tm, expected Tm2MgMo2(ClO7)2 to be Tm2MgMo2(ClO4)2" +mp-559178,TmMoClO4,-7.9671830221,-2.6876434452,0.0,-0.0131527667,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Tm,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_3i3j_i:Cl-Mo-O-Tm, expected TmMoClO9 to be TmMoClO4" +mp-1224227,In2CuAg(SnS4)2,-4.5246176143,-0.6999124158000001,0.0094637943,0.0094637943,GGA,Imm2,ABC2D8E2_oI28_44_a_b_c_2c2d_d:Ag-Cu-In-S-Sn,14.0,ABC2D8E2_oI28_44_a_b_c_2c2d_d:Ag-Cu-In-S-Sn +mp-1224048,InAgSnS4,-4.431461025,-0.6972308742000001,0.0,-0.0056199357,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Ag-In-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Ag-In-S-Sn, expected InAgSnS8 to be InAgSnS4" +mp-1224102,InCuSnS4,-4.6350669893,-0.7198867432,0.0016348029,0.0016348029,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Cu-In-S-Sn,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Cu-In-S-Sn, expected InCuSnS8 to be InCuSnS4" +mp-1224550,In10CuAgS16,-4.3967204304,-0.8027276502,0.0,-0.0008323724,GGA,P-4m2,ABC10D16_tP28_115_a_c_gjk_2j2k:Ag-Cu-In-S,28.0,"Invalid WP multiplicities - ABC10D16_tP28_115_a_c_g3j3k_7j8k:Ag-Cu-In-S, expected In26CuAgS60 to be In10CuAgS16" +mp-1224138,In2CuAgS4,-4.3209745638,-0.6983583636,0.0055719025,0.0055719025,GGA,I-4,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-S,8.0,ABC2D4_tI16_82_a_c_bd_g:Ag-Cu-In-S +mp-1046947,MgSi2SnO6,-7.459905587,-2.8458435638,0.0787060375,0.0787060375,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-Sn,20.0,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-Sn +mp-1041480,MgSi2SnO6,-7.4760940296,-2.8620320064,0.0625175949,0.0625175949,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Mg-O-Si-Sn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Mg-O-Si-Sn, expected MgSi8SnO41 to be MgSi2SnO6" +mp-1248487,Mg3Si4(SnO7)2,-7.2913599613,-2.7794078771,0.1744165685,0.1744165685,GGA,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Mg-O-Si-Sn,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Mg-O-Si-Sn, expected Mg3Si5SnO27 to be Mg3Si4(SnO7)2" +mp-1222095,Mg6SiSn2,-2.7164721156,-0.1557896667,0.01193575,0.01193575,GGA,Immm,A6BC2_oI18_71_fn_a_g:Mg-Si-Sn,9.0,"Invalid WP multiplicities - A6BC2_oI18_71_2f2n_a_g:Mg-Si-Sn, expected Mg12SiSn2 to be Mg6SiSn2" +mp-1031460,Mg6SiSnO8,-6.0249530887,-2.3618230966,0.5750313672,0.5750313672,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-Sn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-Sn, expected Mg6SiSnO12 to be Mg6SiSnO8" +mp-1031493,Mg6SiSnO8,-6.0284158556,-2.3652858634,0.5715686003,0.5715686003,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-Sn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-Sn, expected Mg6SiSnO12 to be Mg6SiSnO8" +mp-628588,Fe4Si2Sn7O16,-7.1617702145,-1.9222963088,0.0826124843,0.0826124843,GGA+U,P-3m1,A4B16C2D7_hP29_164_be_2d2i_d_ai:Fe-O-Si-Sn,58.0,"Invalid WP multiplicities - A4B16C2D7_hP29_164_b2e_2d2i_d_ai:Fe-O-Si-Sn, expected Fe7Si2Sn7O16 to be Fe4Si2Sn7O16" +mp-1028295,Mg14SiSn,-1.9756428675,0.0142827941,0.0905580431,0.0905580431,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Sn, expected Mg18SiSn to be Mg14SiSn" +mp-1028270,Mg14SiSn,-1.9972319925,-0.0073063309,0.0689689181,0.0689689181,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Sn, expected Mg26SiSn to be Mg14SiSn" +mp-1034282,Mg14SiSnO16,-6.1670549919,-2.6987478055,0.2966995761,0.2966995761,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-Sn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-Sn, expected Mg18SiSnO20 to be Mg14SiSnO16" +mp-1034271,Mg14SiSnO16,-6.1645711937,-2.6962640073,0.2991833742,0.2991833742,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-Sn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-Sn, expected Mg30SiSnO32 to be Mg14SiSnO16" +mp-1021412,Mg6SiSn,-2.3625847163,0.0169865569,0.142281905,0.142281905,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Sn, expected Mg12SiSn to be Mg6SiSn" +mp-1021421,Mg6SiSn,-2.3624442581,0.017127015,0.1424223631,0.1424223631,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-Sn, expected Mg12SiSn to be Mg6SiSn" +mp-1328703,Mg3Si3(SnO6)2,-7.0684039616,-2.6455938374,0.2610994617,0.2610994617,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Sn,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Sn +mp-1043375,MgSi4SnO10,-7.7652315345,-2.9666058384,0.0867496958,0.0867496958,GGA,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Mg-O-Si-Sn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Mg-O-Si-Sn, expected MgSi4SnO22 to be MgSi4SnO10" +mp-1036730,Mg30SiSnO32,-6.24664182,-2.8757460365,0.148997804,0.148997804,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-Sn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-Sn, expected Mg90SiSnO80 to be Mg30SiSnO32" +mp-1036665,Mg30SiSnO32,-6.2469376284,-2.8760418449,0.1487019955,0.1487019955,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-Sn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-Sn, expected Mg110SiSnO72 to be Mg30SiSnO32" +mp-1222116,Mg4SiSn,-2.77875013,-0.1394151158,0.0185602983,0.0185602983,GGA,R-3m,A4BC_hR18_166_2c_a_b:Mg-Si-Sn,6.0,"Invalid WP multiplicities - A4BC_hR18_166_3c_a_b:Mg-Si-Sn, expected Mg6SiSn to be Mg4SiSn" +mp-1222079,Mg4SiSn,-2.4017947183,0.2375402958,0.39551571,0.39551571,GGA,F-43m,A4BC_cF24_216_e_a_c:Mg-Si-Sn,6.0,A4BC_cF24_216_e_a_c:Mg-Si-Sn +mp-1233773,MgFe4Si2Sn7O16,-6.9794235947,-1.8612561508,0.1843719095,0.1843719095,GGA+U,Cm,A4BC16D2E7_mC60_8_2ab_a_8a4b_2a_3a2b:Fe-Mg-O-Si-Sn,30.0,"Invalid WP multiplicities - A4BC16D2E7_mC60_8_2a2b_a_8a8b_2a_3a4b:Fe-Mg-O-Si-Sn, expected MgFe6Si2Sn11O24 to be MgFe4Si2Sn7O16" +mp-1233123,MgFe4Si2Sn7O16,-6.9765053633,-1.8583379195,0.1872901408,0.1872901408,GGA+U,C2/m,A4BC16D2E7_mC60_12_ade_c_4i2j_i_bij:Fe-Mg-O-Si-Sn,30.0,"Invalid WP multiplicities - A4BC16D2E7_mC60_12_ac2e_b_8i7j_i_di3j:Fe-Mg-O-Si-Sn, expected MgFe6Si2Sn15O44 to be MgFe4Si2Sn7O16" +mp-1519645,BaCaZrSnO6,-7.681798447,-3.0656004897,0.094589509,0.094589509,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sn-Zr +mp-1228696,Ba4Sr2La2Co4O15,-7.1682692641,-2.5919543483,0.0,-0.0181966359,GGA+U,Cc,A4B4C2D15E2_mC108_9_4a_4a_2a_15a_2a:Ba-Co-La-O-Sr,54.0,"Invalid WP multiplicities - A4B4C2D15E2_mC108_9_7a_7a_4a_30a_2a:Ba-Co-La-O-Sr, expected Ba7Sr2La4Co7O30 to be Ba4Sr2La2Co4O15" +mp-1520230,BaNaEuFeO6,-7.224882437,-2.0600168859,0.1096421949,0.1096421949,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Eu-Fe-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Eu-Fe-Na-O +mp-1223177,La3Fe4AgO12,-7.8781676465,-2.3341213118,0.0670667045,0.0670667045,GGA+U,Pm,AB4C3D12_mP20_6_a_2c_a2b_2a2b4c:Ag-Fe-La-O,20.0,"Invalid WP multiplicities - AB4C3D12_mP20_6_a_4c_a2b_2a2b8c:Ag-Fe-La-O, expected La3Fe8AgO20 to be La3Fe4AgO12" +mp-1044078,LaZnFeAgO6,-6.4868148915,-1.7689688719,0.1110613501,0.1110613501,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ag-Fe-La-O-Zn,40.0,ABCD6E_mP20_7_a_a_a_6a_a:Ag-Fe-La-O-Zn +mp-1031541,Mg6CrSnO8,-6.4249441906,-2.4975811084,0.2801455794,0.2801455794,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Sn, expected Mg6CrSnO12 to be Mg6CrSnO8" +mp-1031623,Mg6CrSnO8,-6.4409314063,-2.5135683241,0.2641583637,0.2641583637,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Sn, expected Mg6CrSnO12 to be Mg6CrSnO8" +mp-1026410,Mg14CrSn,-2.2168056994,0.0373530522,0.0928991812,0.0928991812,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Sn, expected Mg18CrSn to be Mg14CrSn" +mp-1026399,Mg14CrSn,-2.2115479344,0.0426108172,0.0981569462,0.0981569462,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Sn, expected Mg26CrSn to be Mg14CrSn" +mp-1021379,Mg6CrSn,-2.8314644125,0.0765730406,0.1604101487,0.1604101487,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Sn, expected Mg12CrSn to be Mg6CrSn" +mp-1021385,Mg6CrSn,-2.8312134006000003,0.0768240525,0.1606611606,0.1606611606,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Sn, expected Mg12CrSn to be Mg6CrSn" +mp-1049277,LaMgCrSnO6,-7.7367241575,-2.7488202827,0.138414155,0.138414155,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Cr-La-Mg-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Cr-La-Mg-O-Sn, expected LaMgCrSnO12 to be LaMgCrSnO6" +mp-1034441,Mg14CrSnO16,-6.3747287263,-2.7743049948,0.1415784987,0.1415784987,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Sn, expected Mg18CrSnO20 to be Mg14CrSnO16" +mp-1034353,Mg14CrSnO16,-6.3677036509,-2.7672799195,0.1486035741,0.1486035741,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Sn, expected Mg30CrSnO32 to be Mg14CrSnO16" +mp-1095707,Mg30CrSnO32,-6.3542632814,-2.9173092254,0.0676526711,0.0676526711,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Sn, expected Mg90CrSnO80 to be Mg30CrSnO32" +mp-1095708,Mg30CrSnO32,-6.3534870148,-2.9165329588,0.0684289377,0.0684289377,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Sn, expected Mg110CrSnO72 to be Mg30CrSnO32" +mp-1523017,EuMgBiSbO6,-7.27583427,-2.3251438213,0.1051968591,0.1051968591,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Mg-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Mg-O-Sb +mp-1522660,NaSrLaFeO6,-6.789772356,-2.1799544231,0.1756602615,0.1756602615,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Fe-La-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Fe-La-Na-O-Sr +mp-1223008,La4CuNiO8,-7.9502857604,-3.0076513704,0.0717214512,0.0717214512,GGA+U,C2/m,AB4CD8_mC28_12_a_2i_c_bd3i:Cu-La-Ni-O,28.0,AB4CD8_mC28_12_a_2i_d_bc3i:Cu-La-Ni-O +mp-690554,Sr5La5Cu(NiO5)4,-7.2058467986,-2.6549602155,0.0118671044,0.0118671044,GGA+U,P1,AB5C4D20E5_aP35_1_a_5a_4a_20a_5a:Cu-La-Ni-O-Sr,35.0,AB5C4D20E5_aP35_1_a_5a_4a_20a_5a:Cu-La-Ni-O-Sr +mp-1200065,La6Co13Bi,-6.4704341495,-0.1772009948,0.0,-0.007024113,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Bi-Co-La,40.0,AB13C6_tI80_140_a_dk2l_fl:Bi-Co-La +mp-690204,MnCo(BiO3)2,-6.1365986065,-0.773454245,0.8993814376,0.8993814376,GGA+U,P1,A2BCD6_aP20_1_4a_2a_2a_12a:Bi-Co-Mn-O,20.0,A2BCD6_aP20_1_4a_2a_2a_12a:Bi-Co-Mn-O +mp-545769,MnCo(BiO3)2,-7.0073905285,-1.644246167,0.0285895156,0.0285895156,GGA+U,C2,A2BCD6_mC40_5_2c_ab_c_6c:Bi-Co-Mn-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_e_a_9f:Bi-Co-Mn-O, expected MnCo(BiO9)2 to be MnCo(BiO3)2" +mp-551806,CoTeMoO6,-7.3158671378,-1.6739331305,0.0,-0.0059130368,GGA+U,P2_12_12,ABC6D_oP18_18_b_a_3c_a:Co-Mo-O-Te,18.0,ABC6D_oP18_18_b_a_3c_a:Co-Mo-O-Te +mp-1077563,CoTeMo,-6.606837155,0.4255874444,0.7339257089,0.7339257089,GGA,Pmmn,ABC_oP6_59_b_a_a:Co-Mo-Te,6.0,ABC_oP6_59_b_a_a:Co-Mo-Te +mp-1181717,CoTeMo,-6.5656710233,0.4667535761,0.7750918406,0.7750918406,GGA,P4/nmm,ABC_tP6_129_c_a_b:Co-Mo-Te,6.0,ABC_tP6_129_c_a_b:Co-Mo-Te +mp-1233780,MgCo4(Te2O5)4,-6.0999812073,-1.429866886,0.1461434692,0.1461434692,GGA+U,P1,A4BC20D8_aP33_1_4a_a_20a_8a:Co-Mg-O-Te,33.0,A4BC20D8_aP33_1_4a_a_20a_8a:Co-Mg-O-Te +mp-1234724,MgCo4(Te2O5)4,-6.1151809139,-1.4450665927,0.1309437626,0.1309437626,GGA+U,P1,A4BC20D8_aP33_1_4a_a_20a_8a:Co-Mg-O-Te,33.0,A4BC20D8_aP33_1_4a_a_20a_8a:Co-Mg-O-Te +mp-1233070,MgCo4(Te2O5)4,-6.0387783939,-1.3686640727,0.2073462826,0.2073462826,GGA+U,P2,A4BC20D8_mP33_3_abcd_a_abcd8e_4e:Co-Mg-O-Te,33.0,"Invalid WP multiplicities - A4BC20D8_mP33_3_abcd_a_abcd16e_8e:Co-Mg-O-Te, expected MgCo4(Te4O9)4 to be MgCo4(Te2O5)4" +mp-1234021,MgCo4(Te2O5)4,-5.9861198373,-1.3160055160000002,0.2600048392,0.2600048392,GGA+U,P2,A4BC20D8_mP33_3_abcd_a_abcd8e_4e:Co-Mg-O-Te,33.0,"Invalid WP multiplicities - A4BC20D8_mP33_3_abcd_a_abcd16e_8e:Co-Mg-O-Te, expected MgCo4(Te4O9)4 to be MgCo4(Te2O5)4" +mp-2218687,MgCo3TeO8,-6.5553183338,-1.5059299478,0.169936678,0.169936678,GGA+U,P-1,A3BC8D_aP13_2_ace_b_4i_h:Co-Mg-O-Te,13.0,"Invalid WP multiplicities - A3BC8D_aP13_2_ace_b_7i_h:Co-Mg-O-Te, expected MgCo3TeO14 to be MgCo3TeO8" +mp-2218474,MgCo3TeO8,-6.5887065954,-1.5393182094,0.1365484165,0.1365484165,GGA+U,Cm,A3BC8D_mC26_8_ab_a_4a2b_a:Co-Mg-O-Te,13.0,"Invalid WP multiplicities - A3BC8D_mC26_8_a2b_a_4a4b_a:Co-Mg-O-Te, expected MgCo5TeO12 to be MgCo3TeO8" +mp-2227540,MgCo3TeO8,-6.4631478838,-1.4137594978,0.262107128,0.262107128,GGA+U,C2/m,A3BC8D_mC26_12_ae_b_2ij_c:Co-Mg-O-Te,13.0,"Invalid WP multiplicities - A3BC8D_mC26_12_be_a_4i3j_c:Co-Mg-O-Te, expected MgCo3TeO20 to be MgCo3TeO8" +mp-1196606,Co3Te(MoO7)6,-6.3510024039,-0.6336353691000001,0.5477486015,0.5477486015,GGA+U,R-3c,A3B6C42D_hR312_167_e_f_7f_b:Co-Mo-O-Te,104.0,A3B6C42D_hR312_167_e_f_7f_b:Co-Mo-O-Te +mp-1046497,Mg4Co5(TeO6)3,-6.5915949135,-1.9111607916,0.0142157927,0.0142157927,GGA+U,C2/c,A5B4C18D3_mC120_15_e2f_2f_9f_af:Co-Mg-O-Te,60.0,"Invalid WP multiplicities - A5B4C18D3_mC120_15_e4f_6f_35f_c2f:Co-Mg-O-Te, expected Mg12Co9(TeO14)5 to be Mg4Co5(TeO6)3" +mp-2230418,MgCo2Te2(MoO6)2,-7.1602848553,-1.7310694773000002,0.1148396891,0.1148396891,GGA+U,P1,A2BC2D12E2_aP19_1_2a_a_2a_12a_2a:Co-Mg-Mo-O-Te,19.0,A2BC2D12E2_aP19_1_2a_a_2a_12a_2a:Co-Mg-Mo-O-Te +mp-2231384,MgCo2Te2(MoO6)2,-7.15872961,-1.729514232,0.1163949343,0.1163949343,GGA+U,P2,A2BC2D12E2_mP19_3_ad_a_bc_6e_bc:Co-Mg-Mo-O-Te,19.0,"Invalid WP multiplicities - A2BC2D12E2_mP19_3_cd_c_ab_11e_ab:Co-Mg-Mo-O-Te, expected MgCo2Te2(MoO11)2 to be MgCo2Te2(MoO6)2" +mp-1040989,CaTi2(CuO4)2,-7.4370923275,-2.3933610242,0.1444624521,0.1444624521,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-Ti,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-Ti, expected CaTi5(Cu3O13)2 to be CaTi2(CuO4)2" +mp-1227406,Ca2La2Ti3CuO12,-8.3597732805,-3.3083152193,0.1065429941,0.1065429941,GGA,P4/mmm,A2BC2D12E3_tP20_123_h_a_h_ef2gi_bg:Ca-Cu-La-O-Ti,20.0,A2BC2D12E3_tP20_123_h_a_h_ef2gi_bg:Ca-Cu-La-O-Ti +mp-1147567,CaTiCuO4,-7.5141163743,-2.6873944583,0.1227648054,0.1227648054,GGA,P4/nmm,ABC4D_tP14_129_c_a_2cf_c:Ca-Cu-O-Ti,14.0,ABC4D_tP14_129_c_a_2cf_c:Ca-Cu-O-Ti +mp-22592,CaTi4(CuO4)3,-7.9657985785,-2.7035259539,0.0488613383,0.0488613383,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Ti,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Ti +mp-647452,CaTi4(CuO4)3,-7.5805602925,-2.3182876679,0.4340996243,0.4340996243,GGA,Im-3m,AB3C12D4_cI40_229_a_b_h_c:Ca-Cu-O-Ti,20.0,AB3C12D4_cI40_229_a_b_h_c:Ca-Cu-O-Ti +mp-1042742,Sr2AlFeCu2O7,-6.7004113173,-2.206579143,0.0884170611,0.0884170611,GGA+U,C2,AB2CD7E2_mC52_5_ab_2c_c_7c_2c:Al-Cu-Fe-O-Sr,26.0,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Fe-O-Sr +mp-1267964,Sr2AlFeCu2O7,-6.6972646623,-2.203432488,0.0915637161,0.0915637161,GGA+U,Ima2,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Fe-O-Sr,26.0,AB2CD7E2_oI52_46_a_c_b_b3c_c:Al-Cu-Fe-O-Sr +mp-1194817,Na2ScSiO5,-7.1891072326,-2.8406315351,0.0619266201,0.0619266201,GGA,Pca2_1,A2B5CD_oP72_29_4a_10a_2a_2a:Na-O-Sc-Si,72.0,A2B5CD_oP72_29_4a_10a_2a_2a:Na-O-Sc-Si +mp-557463,Na3ScSi2O7,-7.3187674388,-3.0281903601,0.0,-0.0039393572,GGA,Pnma,A3B7CD2_oP52_62_cd_c3d_a_d:Na-O-Sc-Si,52.0,"Invalid WP multiplicities - A3B7CD2_oP52_62_4c4d_3c17d_a_d:Na-O-Sc-Si, expected Na12ScSi2O37 to be Na3ScSi2O7" +mp-1194834,BaSc2Si3O10,-8.5695473469,-3.5491251998,0.0,-0.0044558928,GGA,P2_1/m,AB10C2D3_mP32_11_e_2e4f_f_ef:Ba-O-Sc-Si,32.0,AB10C2D3_mP32_11_e_2e4f_f_ef:Ba-O-Sc-Si +mp-7074,NaSc(SiO3)2,-8.1390862575,-3.3205099849,0.0,-0.0226235554,GGA,C2/c,AB6CD2_mC40_15_e_3f_e_f:Na-O-Sc-Si,20.0,AB6CD2_mC40_15_e_3f_e_f:Na-O-Sc-Si +mp-555825,Na4Sc2Si4O13,-7.6773784085,-3.1572364628,0.0,-0.0019506137,GGA,Pna2_1,A4B13C2D4_oP92_33_4a_13a_2a_4a:Na-O-Sc-Si,92.0,"Invalid WP multiplicities - A4B13C2D4_oP92_33_11a_46a_5a_13a:Na-O-Sc-Si, expected Na11Sc5Si13O46 to be Na4Sc2Si4O13" +mp-558428,Ba9Sc2(SiO4)6,-7.8649602154,-3.4452492417,0.0068461305,0.0068461305,GGA,R-3,A9B24C2D6_hR123_148_acf_4f_c_f:Ba-O-Sc-Si,41.0,"Invalid WP multiplicities - A9B24C2D6_hR123_148_a2c4f_20f_c_f:Ba-O-Sc-Si, expected Ba29Sc2(SiO20)6 to be Ba9Sc2(SiO4)6" +mp-866298,BaNaScSi2O7,-7.9286905008,-3.3410716361,0.0039169134,0.0039169134,GGA,P2_1/m,ABC7DE2_mP24_11_e_e_3e2f_e_2e:Ba-Na-O-Sc-Si,24.0,ABC7DE2_mP24_11_e_e_3e2f_e_2e:Ba-Na-O-Sc-Si +mp-510083,Tb2Ti3Si4,-6.8429691956,-0.7700269322000001,0.0,-0.0032012959,GGA,P4_12_12,A4B2C3_tP36_92_2b_b_ab:Si-Tb-Ti,36.0,A4B2C3_tP36_92_2b_b_ab:Si-Tb-Ti +mp-22532,TbTiSi,-6.60634875,-0.6212900344,0.0037837626,0.0037837626,GGA,P4/nmm,ABC_tP6_129_c_c_a:Si-Tb-Ti,6.0,ABC_tP6_129_c_c_a:Si-Tb-Ti +mp-1228219,Ba3TbIrRuO9,-7.451611896,-2.5833234933,0.0,-0.0059611949,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_b_a:Ba-Ir-O-Ru-Tb,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_b_a:Ba-Ir-O-Ru-Tb, expected Ba5TbIrRuO15 to be Ba3TbIrRuO9" +mp-12410,Ba2TbIrO6,-7.470640497,-2.7715522542,0.0,-0.1291183205,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Tb +mp-6049,Ba4Tb(RuO4)3,-7.490364231,-2.5156773302,0.0024221038,0.0024221038,GGA,R-3m,A4B12C3D_hR60_166_2c_2h_ac_b:Ba-O-Ru-Tb,20.0,"Invalid WP multiplicities - A4B12C3D_hR60_166_4c_2h_ac_b:Ba-O-Ru-Tb, expected Ba8Tb(RuO4)3 to be Ba4Tb(RuO4)3" +mp-867291,Tb2IrRu,-7.4231856,-0.57779337,0.0321748137,0.0321748137,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Tb,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Tb +mp-6345,Ba3TbRu2O9,-7.5251580767,-2.6278051166000003,0.0,-0.0282001887,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Tb,30.0,"Invalid WP multiplicities - A3B9C2D_hP30_194_2b2f_hk_f_a:Ba-O-Ru-Tb, expected Ba6TbRu2O9 to be Ba3TbRu2O9" +mp-570167,Rb3SnP3Se11,-4.2173115386,-0.7925277693,0.0,-0.0050591801,GGA,P2_1/c,A3B3C11D_mP72_14_3e_3e_11e_e:P-Rb-Se-Sn,72.0,"Invalid WP multiplicities - A3B3C11D_mP72_14_10e_10e_43e_e:P-Rb-Se-Sn, expected Rb10SnP10Se43 to be Rb3SnP3Se11" +mp-1199727,Rb2Ag2Sn(PSe3)3,-4.1701027047,-0.6795813620000001,0.0,-0.0283699479,GGA,P2_1/c,A2B3C2D9E_mP68_14_2e_3e_2e_9e_e:Ag-P-Rb-Se-Sn,68.0,A2B3C2D9E_mP68_14_2e_3e_2e_9e_e:Ag-P-Rb-Se-Sn +mp-571164,Rb3AgSn3Se8,-3.969902787,-0.9185584132,0.0,-0.0011380398,GGA,P4/nbm,AB3C8D3_tP30_125_c_ag_2m_dh:Ag-Rb-Se-Sn,30.0,"Invalid WP multiplicities - AB3C8D3_tP30_125_c_2a2g_7m_2d2h:Ag-Rb-Se-Sn, expected Rb6Ag(Sn3Se14)2 to be Rb3AgSn3Se8" +mp-571228,Rb5Sn(PSe5)3,-4.1095123488,-0.8765614362,0.0,-0.01276726,GGA,P-1,A3B5C15D_aP48_2_3i_5i_15i_i:P-Rb-Se-Sn,48.0,"Invalid WP multiplicities - A3B5C15D_aP48_2_4i_7i_28i_i:P-Rb-Se-Sn, expected Rb7Sn(PSe7)4 to be Rb5Sn(PSe5)3" +mp-1227259,Ca8Zn3Co(Si2O7)4,-7.4856803465,-3.1348016835,0.0166803511,0.0166803511,GGA+U,P-4,A8BC28D8E3_tP48_81_2h_a_7h_2h_cg:Ca-Co-O-Si-Zn,48.0,"Invalid WP multiplicities - A8BC28D8E3_tP48_81_5h_a_22h_5h_cg:Ca-Co-O-Si-Zn, expected Ca20Zn3Co(Si5O22)4 to be Ca8Zn3Co(Si2O7)4" +mp-1227193,Ca8ZnCo3(Si2O7)4,-7.685389535,-3.090820281,0.0184518783,0.0184518783,GGA+U,P-4,A8B3C28D8E_tP48_81_2h_ag_7h_2h_c:Ca-Co-O-Si-Zn,48.0,"Invalid WP multiplicities - A8B3C28D8E_tP48_81_8h_ag_25h_8h_c:Ca-Co-O-Si-Zn, expected Ca32ZnCo3(Si8O25)4 to be Ca8ZnCo3(Si2O7)4" +mp-1227034,Ca4ZnCo(Si2O7)2,-7.5860383053,-3.1133143469,0.0170627501,0.0170627501,GGA+U,P-4,A4BC14D4E_tP24_81_h_a_g3h_h_c:Ca-Co-O-Si-Zn,96.0,A4BC14D4E_tP24_81_h_a_g3h_h_c:Ca-Co-O-Si-Zn +mp-1519867,NaPrDySbO6,-7.255227039,-2.8032918994,0.1813634941,0.1813634941,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Pr-Sb +mp-1209927,Nd3Nb(ClO2)3,-7.6492697327,-3.0622320723,0.201430366,0.201430366,GGA,P6_3/m,A3BC3D6_hP26_176_h_c_h_i:Cl-Nb-Nd-O,26.0,A3BC3D6_hP26_176_h_c_h_i:Cl-Nb-Nd-O +mp-1209879,NdNb2CuClO7,-8.21273168,-2.7506215282,0.0870272799,0.0870272799,GGA,P4/mmm,ABC2DE7_tP12_123_c_a_g_d_bgi:Cl-Cu-Nb-Nd-O,12.0,ABC2DE7_tP12_123_c_a_g_d_bgi:Cl-Cu-Nb-Nd-O +mp-1521218,SrCaGdSbO6,-8.104562525,-2.9465276169,0.1132979212,0.1132979212,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Gd-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Gd-O-Sb-Sr +mp-1520916,NaEuZrSnO6,-8.1137176,-2.7320244154,0.17444197,0.17444197,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sn-Zr +mp-1225683,Dy(CrFe5)2,-8.3509818515,0.0038715238,0.0252009477,0.0252009477,GGA,Immm,A2BC10_oI26_71_e_a_fghk:Cr-Dy-Fe,13.0,A2BC10_oI26_71_e_a_fghk:Cr-Dy-Fe +mp-1518541,SrEuNbBiO6,-8.419877073,-2.8630349039,0.0504541608,0.0504541608,GGA,P-1,ABCD6E_aP20_2_ah_i_be_6i_i:Bi-Eu-Nb-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_ah_i_be_12i_i:Bi-Eu-Nb-O-Sr, expected SrEuNbBiO12 to be SrEuNbBiO6" +mp-1518442,SrEuNbBiO6,-8.3063235628,-2.7494813937,0.1640076711,0.1640076711,GGA,P222,ABCD6E_oP40_16_u_abcf_u_6u_degh:Bi-Eu-Nb-O-Sr,40.0,ABCD6E_oP40_16_u_abcf_u_6u_degh:Bi-Eu-Nb-O-Sr +mp-1518336,SrEuNbBiO6,-8.269686415,-2.7128442459,0.2006448188,0.2006448188,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Nb-O-Sr +mp-1522553,SrCaSmMnO6,-7.423241395,-2.6976586922,0.1904611765,0.1904611765,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Mn-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Mn-O-Sm-Sr +mp-1520741,SrSmHfTiO6,-8.941665145,-3.5475758548,0.1797540181,0.1797540181,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sm-Sr-Ti,10.0,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sm-Sr-Ti +mp-1520308,NaLaZrFeO6,-8.019713335,-2.7240746844,0.1478282226,0.1478282226,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-La-Na-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-La-Na-O-Zr +mp-1519220,BaCaNdFeO6,-7.225568947,-2.541281374,0.1623907639,0.1623907639,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Fe-Nd-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ca-Fe-Nd-O +mp-1522630,Sr2CeTiO6,-8.180527658,-3.4917576234,0.1002337605,0.1002337605,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-Ti +mp-1218863,Sr2Ce2Ti5O15,-8.9304862963,-3.5586964642,0.0478891255,0.0478891255,GGA,R-3m,A2B15C2D5_hR72_166_c_d2h_c_a2c:Ce-O-Sr-Ti,24.0,"Invalid WP multiplicities - A2B15C2D5_hR72_166_c_3d9h_c_a3c:Ce-O-Sr-Ti, expected Sr2Ce2Ti7O63 to be Sr2Ce2Ti5O15" +mp-1522825,SrCaCeTiO6,-8.14736768,-3.4269870028,0.189643792,0.189643792,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ce-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Ce-O-Sr-Ti +mp-1235036,Sr2LiZrCrO6,-7.7085682291,-2.8750418527,0.2256428425,0.2256428425,GGA+U,Cm,ABC6D2E_mC22_8_a_a_2a2b_2a_a:Cr-Li-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_mC22_8_a_a_2a4b_2a_a:Cr-Li-O-Sr-Zr, expected Sr2LiZrCrO10 to be Sr2LiZrCrO6" +mp-1235588,Sr2LiZrCrO6,-7.7583030736,-2.9247766972,0.175907998,0.175907998,GGA+U,Immm,ABC6D2E_oI22_71_a_c_el_f_b:Cr-Li-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_a_c_e2l_f_b:Cr-Li-O-Sr-Zr, expected Sr2LiZrCrO10 to be Sr2LiZrCrO6" +mp-1235188,Sr2LiZrCrO6,-7.7476968191,-2.9141704427,0.1865142525,0.1865142525,GGA+U,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:Cr-Li-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_5b_2a_a:Cr-Li-O-Sr-Zr, expected Sr2LiZrCrO15 to be Sr2LiZrCrO6" +mp-1079843,LaMgAg,-3.3988207133,-0.2758729939,0.0,-0.0441492383,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-La-Mg,9.0,ABC_hP9_189_ad_f_g:Ag-La-Mg +mp-2240693,MgFe2(AgO2)2,-6.1822931622,-1.2942721265,0.3457174969,0.3457174969,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Ag-Fe-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Ag-Fe-Mg-O +mp-2240152,MgFe2(AgO2)2,-6.1661866489,-1.2781656131,0.3618240102,0.3618240102,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Ag-Fe-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Ag-Fe-Mg-O +mp-2217135,MgFe2(AgO2)2,-6.1632854622,-1.2752644265,0.3647251969,0.3647251969,GGA+U,P3m1,A2B2CD4_hP9_156_ab_2c_c_2a2b:Ag-Fe-Mg-O,9.0,A2B2CD4_hP9_156_ab_2c_c_2a2b:Ag-Fe-Mg-O +mp-2217160,MgFe2(AgO2)2,-6.1471564111,-1.2591353754,0.380854248,0.380854248,GGA+U,P3m1,A2B2CD4_hP9_156_ab_2c_a_2a2b:Ag-Fe-Mg-O,9.0,A2B2CD4_hP9_156_ab_2c_a_2a2b:Ag-Fe-Mg-O +mp-1206372,LaMg2Ag,-2.8589154925,-0.1166346904,0.1072578783,0.1072578783,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-La-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-La-Mg +mp-2225918,MgFeAgO2,-5.927123282,-1.3678763448,0.4466019887,0.4466019887,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Ag-Fe-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Ag-Fe-Mg-O +mp-2210754,MgFeAgO2,-5.94202874,-1.3827818028,0.4316965307,0.4316965307,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Fe-Mg-O +mp-1043932,LaMgFeAgO6,-6.7927139087,-2.0408142452,0.0917169848,0.0917169848,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ag-Fe-La-Mg-O,40.0,ABCDE6_mP20_7_a_a_a_a_6a:Ag-Fe-La-Mg-O +mp-1223267,La2(MgAg3)3,-3.1482148143,-0.2792249293,0.0,-0.0259243319,GGA,C222,A9B2C3_oC28_21_a2kl_k_bcd:Ag-La-Mg,14.0,"Invalid WP multiplicities - A9B2C3_oC28_21_a4kl_k_bcd:Ag-La-Mg, expected La2Mg3Ag13 to be La2(MgAg3)3" +mp-867914,LaMgAg2,-3.3428342875,-0.2924844971,0.0006446236,0.0006446236,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-La-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-La-Mg +mp-1211389,La4Mg3Ag10,-3.4172810559,-0.3072558439,0.0,-0.0170973146,GGA,Cmce,A10B4C3_oC68_64_f2g_df_ae:Ag-La-Mg,34.0,A10B4C3_oC68_64_f2g_df_ae:Ag-La-Mg +mp-2241516,Ba3SrMgNb2O9,-7.4712095144,-2.8606153391,0.263890169,0.263890169,GGA,Cm,A3BC2D9E_mC32_8_3a_a_2a_3a3b_a:Ba-Mg-Nb-O-Sr,16.0,"Invalid WP multiplicities - A3BC2D9E_mC32_8_3a_a_2a_3a5b_a:Ba-Mg-Nb-O-Sr, expected Ba3SrMgNb2O13 to be Ba3SrMgNb2O9" +mp-2232676,Ba3SrMgNb2O9,-7.4888865975,-2.8782924222,0.2462130859,0.2462130859,GGA,C2/m,A3BC2D9E_mC32_12_ai_d_i_beij_c:Ba-Mg-Nb-O-Sr,16.0,"Invalid WP multiplicities - A3BC2D9E_mC32_12_ci_a_i_de2i2j_b:Ba-Mg-Nb-O-Sr, expected Ba3SrMgNb2O15 to be Ba3SrMgNb2O9" +mp-2232725,Ba3SrMgNb2O9,-7.423510495,-2.8129163197,0.3115891884,0.3115891884,GGA,P3m1,A3BC2D9E_hP16_156_abc_a_bc_3d_a:Ba-Mg-Nb-O-Sr,16.0,A3BC2D9E_hP16_156_abc_a_bc_3d_a:Ba-Mg-Nb-O-Sr +mp-2232695,Ba3SrMgNb2O9,-7.5318098338,-2.9212156585,0.2032898496,0.2032898496,GGA,P3m1,A3BC2D9E_hP16_156_abc_a_ab_3d_c:Ba-Mg-Nb-O-Sr,16.0,A3BC2D9E_hP16_156_abc_a_ab_3d_c:Ba-Mg-Nb-O-Sr +mp-1520298,SrHfTiSnO6,-8.517735971,-3.1945481088,0.1142236698,0.1142236698,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-Ti,10.0,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-Ti +mp-1520521,HfTi(SnO3)2,-8.276981723,-2.7217860206,0.1881668853,0.1881668853,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sn-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sn-Ti +mp-1519031,NaSrFeBiO6,-6.26777195,-1.7675058146,0.142046894,0.142046894,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-Na-O-Sr +mp-686458,Rb11Al14Si10(AgO16)3,-7.0447553223,-2.8189897076,0.229390649,0.229390649,GGA,P1,A3B14C48D11E10_aP86_1_3a_14a_48a_11a_10a:Ag-Al-O-Rb-Si,86.0,A3B14C48D11E10_aP86_1_3a_14a_48a_11a_10a:Ag-Al-O-Rb-Si +mp-1251571,Rb11Al14Si10(AgO16)3,-7.0715928649,-2.8458272501,0.2025531065,0.2025531065,GGA,P1,A3B14C48D11E10_aP86_1_3a_14a_48a_11a_10a:Ag-Al-O-Rb-Si,86.0,A3B14C48D11E10_aP86_1_3a_14a_48a_11a_10a:Ag-Al-O-Rb-Si +mp-975622,Rb2Al2Si3O10,-7.6231472312,-3.1999083484,0.0088030218,0.0088030218,GGA,Fdd2,A2B10C2D3_oF136_43_b_5b_b_ab:Al-O-Rb-Si,34.0,A2B10C2D3_oF136_43_b_5b_b_ab:Al-O-Rb-Si +mp-6434,RbAlSiO4,-7.4628289586,-3.1859457046,0.0,-0.0504385943,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Al-O-Rb-Si,28.0,AB4CD_oP28_33_a_4a_a_a:Al-O-Rb-Si +mp-1219605,RbAlSi3O8,-7.90514619,-3.245486676,0.0,-0.0216549477,GGA,P-1,AB8CD3_aP26_2_i_8i_i_3i:Al-O-Rb-Si,26.0,"Invalid WP multiplicities - AB8CD3_aP26_2_i_14i_i_5i:Al-O-Rb-Si, expected RbAlSi5O14 to be RbAlSi3O8" +mp-1219617,RbAlSi3O8,-7.899047175,-3.239387661,0.006099015,-0.0155559327,GGA,C2,AB8CD3_mC52_5_c_2a7c_c_3c:Al-O-Rb-Si,26.0,"Invalid WP multiplicities - AB8CD3_mC52_5_c_2a10c_c_4c:Al-O-Rb-Si, expected RbAlSi4O11 to be RbAlSi3O8" +mp-1188542,Sr(FeSb3)4,-5.3143048,-0.3073875545,0.0,-0.033169905,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-Sb-Sr,17.0,A4B12C_cI34_204_c_g_a:Fe-Sb-Sr +mp-1218824,Sr2FeSbO6,-7.0909342075,-2.5251200451,0.0,-0.0427631866,GGA+U,C2/m,AB6CD2_mC20_12_a_ij_d_i:Fe-O-Sb-Sr,20.0,AB6CD2_mC20_12_a_ij_c_i:Fe-O-Sb-Sr +mp-1207219,Sr2FeSbO6,-7.0802820022,-2.5144678398,0.0106522053,-0.0321109813,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sb-Sr,40.0,AB6CD2_cF40_225_a_e_b_c:Fe-O-Sb-Sr +mp-2228396,Na2Nd2MgTi3O10,-7.9389152706,-3.1091936781,0.1549457279,0.1549457279,GGA,Cm,AB2C2D10E3_mC36_8_a_2a_2a_4a3b_3a:Mg-Na-Nd-O-Ti,18.0,"Invalid WP multiplicities - AB2C2D10E3_mC36_8_a_2a_2a_4a4b_3a:Mg-Na-Nd-O-Ti, expected Na2Nd2MgTi3O12 to be Na2Nd2MgTi3O10" +mp-2229058,Na2Nd2MgTi3O10,-7.8956503044,-3.065928712,0.198210694,0.198210694,GGA,I-4m2,AB2C2D10E3_tI36_119_c_e_e_2e3f_ae:Mg-Na-Nd-O-Ti,18.0,"Invalid WP multiplicities - AB2C2D10E3_tI36_119_c_e_e_2e5f_ae:Mg-Na-Nd-O-Ti, expected Na2Nd2MgTi3O14 to be Na2Nd2MgTi3O10" +mp-2229092,Na2Nd2MgTi3O10,-7.8147567106,-2.9850351181,0.2791042879,0.2791042879,GGA,I4/mmm,AB2C2D10E3_tI36_139_a_e_e_c2eg_be:Mg-Na-Nd-O-Ti,18.0,"Invalid WP multiplicities - AB2C2D10E3_tI36_139_a_e_e_2c2eg_be:Mg-Na-Nd-O-Ti, expected Na2Nd2MgTi3O12 to be Na2Nd2MgTi3O10" +mp-2232578,Na2Nd2MgTi2O8,-7.6361185387,-3.026377257,0.1450350391,0.1450350391,GGA,Cm,AB2C2D8E2_mC30_8_a_2a_2a_4a2b_2a:Mg-Na-Nd-O-Ti,15.0,AB2C2D8E2_mC30_8_a_2a_2a_4a2b_2a:Mg-Na-Nd-O-Ti +mp-2232453,Na2Nd2MgTi2O8,-7.6318859967,-3.022144715,0.1492675811,0.1492675811,GGA,P4mm,AB2C2D8E2_tP15_99_a_ab_ab_2a2b2c_ab:Mg-Na-Nd-O-Ti,15.0,AB2C2D8E2_tP15_99_a_ab_ab_2a2b2c_ab:Mg-Na-Nd-O-Ti +mp-2232259,Na2Nd2MgTi2O8,-7.5375891367,-2.927847855,0.2435644411,0.2435644411,GGA,P-4m2,AB2C2D8E2_tP15_115_a_g_g_ef2g_g:Mg-Na-Nd-O-Ti,15.0,"Invalid WP multiplicities - AB2C2D8E2_tP15_115_a_g_g_2e2f2g_g:Mg-Na-Nd-O-Ti, expected Na2Nd2MgTi2O12 to be Na2Nd2MgTi2O8" +mp-2232246,Na2Nd2MgTi2O8,-7.538168966,-2.9284276843,0.2429846118,0.2429846118,GGA,P-4m2,AB2C2D8E2_tP15_115_a_g_g_ef2g_g:Mg-Na-Nd-O-Ti,15.0,"Invalid WP multiplicities - AB2C2D8E2_tP15_115_a_g_g_2e2f2g_g:Mg-Na-Nd-O-Ti, expected Na2Nd2MgTi2O12 to be Na2Nd2MgTi2O8" +mp-1247575,SrCa7Mn7CrO21,-7.7563910295,-2.5294637304,0.1019796514,0.1019796514,GGA+U,P1,A7BC7D21E_aP148_1_28a_4a_28a_84a_4a:Ca-Cr-Mn-O-Sr,148.0,A7BC7D21E_aP148_1_28a_4a_28a_84a_4a:Ca-Cr-Mn-O-Sr +mp-1247578,SrCa7Mn7CrO21,-7.7647750343,-2.5378477353,0.0935956465,0.0935956465,GGA+U,P1,A7BC7D21E_aP37_1_7a_a_7a_21a_a:Ca-Cr-Mn-O-Sr,37.0,A7BC7D21E_aP37_1_7a_a_7a_21a_a:Ca-Cr-Mn-O-Sr +mp-1247623,SrCa7Mn7CrO24,-7.6987863714,-2.4928769664,0.0591452103,0.0591452103,GGA+U,P1,A7BC7D24E_aP160_1_28a_4a_28a_96a_4a:Ca-Cr-Mn-O-Sr,160.0,A7BC7D24E_aP160_1_28a_4a_28a_96a_4a:Ca-Cr-Mn-O-Sr +mp-1247720,SrCa7Mn7CrO24,-7.6257689055,-2.4198595006,0.1321626762,0.1321626762,GGA+U,R3m,A7BC7D24E_hR120_160_a2b_a_a2b_4b2c_a:Ca-Cr-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7BC7D24E_hR120_160_a4b_a_a4b_12b10c_a:Ca-Cr-Mn-O-Sr, expected SrCa13Mn13CrO96 to be SrCa7Mn7CrO24" +mp-1247601,SrCa7Mn7CrO23,-7.7208406122,-2.5082845228,0.0707286112,0.0707286112,GGA+U,P1,A7BC7D23E_aP156_1_28a_4a_28a_92a_4a:Ca-Cr-Mn-O-Sr,156.0,A7BC7D23E_aP156_1_28a_4a_28a_92a_4a:Ca-Cr-Mn-O-Sr +mp-1247595,SrCa7Mn7CrO23,-7.6766759303,-2.4641198409,0.1148932931,0.1148932931,GGA+U,Cm,A7BC7D23E_mC78_8_3a2b_a_3a2b_3a10b_a:Ca-Cr-Mn-O-Sr,39.0,"Invalid WP multiplicities - A7BC7D23E_mC78_8_3a4b_a_3a4b_3a20b_a:Ca-Cr-Mn-O-Sr, expected SrCa11Mn11CrO43 to be SrCa7Mn7CrO23" +mp-1247571,SrCa7Mn6Cr2O22,-7.765421037,-2.5329465383,0.0948993163,0.0948993163,GGA+U,P1,A7B2C6D22E_aP152_1_28a_8a_24a_88a_4a:Ca-Cr-Mn-O-Sr,152.0,A7B2C6D22E_aP152_1_28a_8a_24a_88a_4a:Ca-Cr-Mn-O-Sr +mp-1247579,SrCa7Mn6Cr2O22,-7.7471148479,-2.5146403491,0.1132055054,0.1132055054,GGA+U,P1,A7B2C6D22E_aP38_1_7a_2a_6a_22a_a:Ca-Cr-Mn-O-Sr,38.0,A7B2C6D22E_aP38_1_7a_2a_6a_22a_a:Ca-Cr-Mn-O-Sr +mp-1247606,SrCa7Mn7CrO22,-7.7409904697,-2.5214378703,0.0831005159,0.0831005159,GGA+U,P1,A7BC7D22E_aP152_1_28a_4a_28a_88a_4a:Ca-Cr-Mn-O-Sr,152.0,A7BC7D22E_aP152_1_28a_4a_28a_88a_4a:Ca-Cr-Mn-O-Sr +mp-1247598,SrCa7Mn7CrO22,-7.7108563008,-2.4913037014,0.1132346848,0.1132346848,GGA+U,Cm,A7BC7D22E_mC76_8_3a2b_a_3a2b_2a10b_a:Ca-Cr-Mn-O-Sr,38.0,"Invalid WP multiplicities - A7BC7D22E_mC76_8_3a4b_a_3a4b_2a20b_a:Ca-Cr-Mn-O-Sr, expected SrCa11Mn11CrO42 to be SrCa7Mn7CrO22" +mp-1247586,SrCa7Mn6Cr2O21,-7.7576535292,-2.5174550902,0.1379256915,0.1379256915,GGA+U,P1,A7B2C6D21E_aP37_1_7a_2a_6a_21a_a:Ca-Cr-Mn-O-Sr,37.0,A7B2C6D21E_aP37_1_7a_2a_6a_21a_a:Ca-Cr-Mn-O-Sr +mp-1247588,SrCa7Mn6Cr2O21,-7.7779180539,-2.5377196149,0.1176611667,0.1176611667,GGA+U,P1,A7B2C6D21E_aP148_1_28a_8a_24a_84a_4a:Ca-Cr-Mn-O-Sr,148.0,A7B2C6D21E_aP148_1_28a_8a_24a_84a_4a:Ca-Cr-Mn-O-Sr +mp-1247633,SrCa7Mn6Cr2O23,-7.7502520585,-2.5251054004,0.0766175745,0.0766175745,GGA+U,P1,A7B2C6D23E_aP39_1_7a_2a_6a_23a_a:Ca-Cr-Mn-O-Sr,39.0,A7B2C6D23E_aP39_1_7a_2a_6a_23a_a:Ca-Cr-Mn-O-Sr +mp-1247710,SrCa7Mn6Cr2O24,-7.7261081572,-2.5079229479,0.0634993562,0.0634993562,GGA+U,P1,A7B2C6D24E_aP160_1_28a_8a_24a_96a_4a:Ca-Cr-Mn-O-Sr,160.0,A7B2C6D24E_aP160_1_28a_8a_24a_96a_4a:Ca-Cr-Mn-O-Sr +mp-1247678,SrCa7Mn6Cr2O24,-7.66786488,-2.4496796706,0.1217426334,0.1217426334,GGA+U,Amm2,A7B2C6D24E_oC80_38_a2bde_c_cf_2a2bde4f_a:Ca-Cr-Mn-O-Sr,40.0,"Invalid WP multiplicities - A7B2C6D24E_oC80_38_a2bde_c_2c2f_2a2bde16f_a:Ca-Cr-Mn-O-Sr, expected SrCa7Mn12Cr2O72 to be SrCa7Mn6Cr2O24" +mp-1247604,SrCa7Mn6Cr2O20,-7.7382624483,-2.4899109614,0.192218362,0.192218362,GGA+U,P1,A7B2C6D20E_aP36_1_7a_2a_6a_20a_a:Ca-Cr-Mn-O-Sr,36.0,A7B2C6D20E_aP36_1_7a_2a_6a_20a_a:Ca-Cr-Mn-O-Sr +mp-1247701,SrCa7Mn6Cr2O20,-7.7874921169,-2.53914063,0.1429886934,0.1429886934,GGA+U,P1,A7B2C6D20E_aP144_1_28a_8a_24a_80a_4a:Ca-Cr-Mn-O-Sr,144.0,A7B2C6D20E_aP144_1_28a_8a_24a_80a_4a:Ca-Cr-Mn-O-Sr +mp-1247650,SrCa7Mn7CrO20,-7.766797461899999,-2.5320857576,0.1244645361,0.1244645361,GGA+U,P1,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Cr-Mn-O-Sr,144.0,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Cr-Mn-O-Sr +mp-1247658,SrCa7Mn7CrO20,-7.7214635569,-2.4867518527,0.169798441,0.169798441,GGA+U,Cm,A7BC7D20E_mC72_8_3a2b_a_3a2b_2a9b_a:Ca-Cr-Mn-O-Sr,36.0,"Invalid WP multiplicities - A7BC7D20E_mC72_8_3a4b_a_3a4b_2a18b_a:Ca-Cr-Mn-O-Sr, expected SrCa11Mn11CrO38 to be SrCa7Mn7CrO20" +mp-1218165,SrLiLaTi3O9,-8.5631549033,-3.4470817116,0.0748997262,0.0748997262,GGA,P3m1,ABC9DE3_hP15_156_a_b_3d_c_abc:La-Li-O-Sr-Ti,15.0,"Invalid WP multiplicities - ABC9DE3_hP15_156_a_b_8d_c_abc:La-Li-O-Sr-Ti, expected SrLiLaTi3O24 to be SrLiLaTi3O9" +mp-1218768,Sr2LiLaTi4O12,-8.5298060765,-3.4714986025,0.0582406246,0.0582406246,GGA,I4/mmm,ABC12D2E4_tI40_139_a_b_cdm_e_g:La-Li-O-Sr-Ti,20.0,"Invalid WP multiplicities - ABC12D2E4_tI40_139_a_b_2c2d2m_e_g:La-Li-O-Sr-Ti, expected Sr2LiLaTi4O24 to be Sr2LiLaTi4O12" +mp-1233581,CaSm4Ti2Mn2O12,-8.5948233243,-3.1493364875,0.2676893232,0.2676893232,GGA+U,P1,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Ca-Mn-O-Sm-Ti,21.0,AB2C12D4E2_aP21_1_a_2a_12a_4a_2a:Ca-Mn-O-Sm-Ti +mp-1044001,LaMgFeMoO6,-8.102274474,-2.5490653997,0.0953082655,0.0953082655,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Fe-La-Mg-Mo-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_10a:Fe-La-Mg-Mo-O, expected LaMgFeMoO10 to be LaMgFeMoO6" +mp-2230275,La2MgFe2(MoO6)2,-8.2498871453,-2.488629175,0.1131846971,0.1131846971,GGA+U,P1,A2B2CD2E12_aP19_1_2a_2a_a_2a_12a:Fe-La-Mg-Mo-O,19.0,A2B2CD2E12_aP19_1_2a_2a_a_2a_12a:Fe-La-Mg-Mo-O +mp-766091,Li4La5Ti6Nb2O26,-8.7412519672,-3.4271776494,0.0489438844,0.0489438844,GGA,Cmmm,A5B4C2D26E6_oC86_65_bgh_m_h_ac2g2h2r_2gh:La-Li-Nb-O-Ti,43.0,"Invalid WP multiplicities - A5B4C2D26E6_oC86_65_bgh_m_h_ac4g4h13r_4g2h:La-Li-Nb-O-Ti, expected Li4La5Ti12Nb2O122 to be Li4La5Ti6Nb2O26" +mp-781824,Li5La4TiNb7O28,-8.6876566736,-3.2120888077,0.0503348292,0.0503348292,GGA,P1,A4B5C7D28E_aP45_1_4a_5a_7a_28a_a:La-Li-Nb-O-Ti,45.0,A4B5C7D28E_aP45_1_4a_5a_7a_28a_a:La-Li-Nb-O-Ti +mp-782001,Li8La4TiNb7O28,-8.3842707244,-3.1316181709,0.035876785,0.035876785,GGA,Cm,A4B8C7D28E_mC96_8_2ab_4a2b_3a2b_14a7b_a:La-Li-Nb-O-Ti,48.0,"Invalid WP multiplicities - A4B8C7D28E_mC96_8_2ab_4a4b_3a4b_14a14b_a:La-Li-Nb-O-Ti, expected Li12La4TiNb11O42 to be Li8La4TiNb7O28" +mp-776497,Li2La3Ti2Nb2O13,-8.7178673895,-3.3121212801,0.1069703601,0.1069703601,GGA,Cm,A3B2C2D13E2_mC44_8_3a_2a_2a_13a_2a:La-Li-Nb-O-Ti,22.0,A3B2C2D13E2_mC44_8_3a_2a_2a_13a_2a:La-Li-Nb-O-Ti +mp-1177974,Li2La3Ti2Nb2O13,-8.7067615491,-3.3010154396,0.1180762006,0.1180762006,GGA,I4/mmm,A3B2C2D13E2_tI44_139_ae_d_e_b2e2g_e:La-Li-Nb-O-Ti,22.0,"Invalid WP multiplicities - A3B2C2D13E2_tI44_139_ae_d_e_b3e4g_e:La-Li-Nb-O-Ti, expected Li2La3Ti2Nb2O23 to be Li2La3Ti2Nb2O13" +mp-761156,Li3La5Ti6Nb2O26,-8.8566793271,-3.4615299748,0.0565336175,0.0565336175,GGA,P2,A5B3C2D26E6_mP42_3_a2e_b2d_e_ac12e_3e:La-Li-Nb-O-Ti,42.0,"Invalid WP multiplicities - A5B3C2D26E6_mP42_3_a3e_2cd_e_ab23e_5e:La-Li-Nb-O-Ti, expected Li3La7Ti10Nb2O48 to be Li3La5Ti6Nb2O26" +mp-774524,Li3La5Ti6Nb2O26,-8.8561855729,-3.4610362205,0.0570273718,0.0570273718,GGA,P2/c,A5B3C2D26E6_mP84_13_e2g_fg_g_ae12g_3g:La-Li-Nb-O-Ti,84.0,"Invalid WP multiplicities - A5B3C2D26E6_mP84_13_2e6g_2f2g_g_2b2e44g_11g:La-Li-Nb-O-Ti, expected Li3La7Ti11NbO46 to be Li3La5Ti6Nb2O26" +mp-1233037,CaTb4Al2(FeO6)2,-8.1070545252,-3.1387439112,0.1962082299,0.1962082299,GGA+U,P1,A2BC2D12E4_aP21_1_2a_a_2a_12a_4a:Al-Ca-Fe-O-Tb,21.0,A2BC2D12E4_aP21_1_2a_a_2a_12a_4a:Al-Ca-Fe-O-Tb +mp-1233326,CaTb4Al2(FeO6)2,-8.0911665286,-3.1228559145,0.2120962265,0.2120962265,GGA+U,P1,A2BC2D12E4_aP21_1_2a_a_2a_12a_4a:Al-Ca-Fe-O-Tb,21.0,A2BC2D12E4_aP21_1_2a_a_2a_12a_4a:Al-Ca-Fe-O-Tb +mp-1101108,Ti2Fe3Bi3Pb2O15,-7.4522625124,-2.0783369179,0.0282423176,0.0282423176,GGA+U,Cmm2,A3B3C15D2E2_oC50_35_bd_ad_ac2d2f_d_d:Bi-Fe-O-Pb-Ti,,"Invalid WP multiplicities - A3B3C15D2E2_oC50_35_b2d_a2d_a2c4d6f_d_d:Bi-Fe-O-Pb-Ti, expected Ti2Fe5Bi5Pb2O37 to be Ti2Fe3Bi3Pb2O15" +mp-1217154,TiFe3Bi3PbO12,-7.3132244985,-1.9182277664,0.0309125905,0.0309125905,GGA+U,P1,A3B3C12DE_aP20_1_3a_3a_12a_a_a:Bi-Fe-O-Pb-Ti,20.0,A3B3C12DE_aP20_1_3a_3a_12a_a_a:Bi-Fe-O-Pb-Ti +mp-1216956,TiFe2Bi2PbO9,-7.391291922,-2.0080013775,0.0291585329,0.0291585329,GGA+U,Cmm2,A2B2C9DE_oC30_35_d_d_acdf_b_a:Bi-Fe-O-Pb-Ti,,"Invalid WP multiplicities - A2B2C9DE_oC30_35_d_d_a2cd2f_b_a:Bi-Fe-O-Pb-Ti, expected TiFe2Bi2PbO15 to be TiFe2Bi2PbO9" +mp-1216934,TiFe2Bi2PbO9,-7.3860157983,-2.0027252538,0.0344346566,0.0344346566,GGA+U,P3,A2B2C9DE_hP30_143_a2bc_ab2c_6d_ac_ab:Bi-Fe-O-Pb-Ti,30.0,"Invalid WP multiplicities - A2B2C9DE_hP30_143_a2bc_ab2c_18d_ac_ab:Bi-Fe-O-Pb-Ti, expected TiFe2Bi2PbO27 to be TiFe2Bi2PbO9" +mp-1217611,TiFe2Bi2PbO9,-7.3769036737,-1.9936131291,0.0435467813,0.0435467813,GGA+U,P3,A2B2C9DE_hP30_143_a2bc_ab2c_6d_ac_ab:Bi-Fe-O-Pb-Ti,30.0,"Invalid WP multiplicities - A2B2C9DE_hP30_143_a2bc_ab2c_18d_ac_ab:Bi-Fe-O-Pb-Ti, expected TiFe2Bi2PbO27 to be TiFe2Bi2PbO9" +mp-1217456,Ti4FeBiPb4O15,-7.8259117212,-2.508175827,0.0149193595,0.0149193595,GGA+U,Cmm2,ABC15D4E4_oC50_35_b_a_ac2d2f_2d_2d:Bi-Fe-O-Pb-Ti,25.0,"Invalid WP multiplicities - ABC15D4E4_oC50_35_b_a_a2c3d5f_3d_3d:Bi-Fe-O-Pb-Ti, expected Ti6FeBiPb6O31 to be Ti4FeBiPb4O15" +mp-1216981,TiFeBiPbO6,-7.544976732,-2.1850985626,0.0256096607,0.0256096607,GGA+U,Imm2,ABC6DE_oI20_44_b_a_2ae_b_a:Bi-Fe-O-Pb-Ti,10.0,ABC6DE_oI20_44_b_a_2ae_b_a:Bi-Fe-O-Pb-Ti +mp-1196244,Mn7Zn4Si2(AsO12)2,-7.3738223604,-2.038886888,0.0696378472,0.0696378472,GGA+U,Cmce,A2B7C24D2E4_oC156_64_f_adg_2f5g_e_g:As-Mn-O-Si-Zn,78.0,A2B7C24D2E4_oC156_64_f_adg_2f5g_e_g:As-Mn-O-Si-Zn +mp-1206238,MnSiAs2,-5.94506116,0.031331373,0.2484837631,0.2484837631,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Mn-Si,8.0,A2BC_tI16_122_d_a_b:As-Mn-Si +mp-1212184,Mn6Zn3Si(AsO10)2,-6.7709645202,-1.3825691563,0.6164007573,0.6164007573,GGA+U,Cmce,A2B6C20DE3_oC256_64_g_2d2g_2f9g_e_fg:As-Mn-O-Si-Zn,128.0,A2B6C20DE3_oC256_64_g_2d2g_2f9g_e_fg:As-Mn-O-Si-Zn +mp-770811,Si2As2O7,-7.4438891905,-2.4624624769,0.0609404475,0.0609404475,GGA,P-1,A2B7C2_aP44_2_4i_14i_4i:As-O-Si,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:As-O-Si, expected Si7As7O27 to be Si2As2O7" +mp-781494,Li4Ti3Mn3(CuO8)2,-7.5328496539,-2.3130765785,0.0842300325,0.0842300325,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cu-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cu-Li-Mn-O-Ti, expected Li4Ti3Mn3(CuO10)2 to be Li4Ti3Mn3(CuO8)2" +mp-754563,Li4Ti2Mn3Cu3O16,-7.1347910611,-2.0505996051,0.0533987057,0.0533987057,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cu-Li-Mn-O-Ti,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cu-Li-Mn-O-Ti +mp-752500,Li4Ti3Mn2Cu3O16,-7.2376395264,-2.1986810446,0.0785678886,0.0785678886,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cu-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cu-Li-Mn-O-Ti, expected Li4Ti3Mn2Cu3O20 to be Li4Ti3Mn2Cu3O16" +mp-1522430,CaLaEuSbO6,-8.008150876,-2.9073766468,0.1708664196,0.1708664196,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-La-O-Sb +mp-1232395,Eu2MgSe4,-6.8355643898,-1.6787173097,0.1150498837,0.1150498837,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Eu-Mg-Se,56.0,A2BC4_oP56_29_4a_2a_8a:Eu-Mg-Se +mp-1232074,Eu2MgSe4,-6.7758509,-1.6190038199,0.1747633736,0.1747633736,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Eu-Mg-Se,28.0,A2BC4_oP28_62_2c_c_4c:Eu-Mg-Se +mp-1232148,Eu2MgSe4,-6.851606895,-1.6947598149,0.0990073786,0.0990073786,GGA,Pnma,A2BC4_oP28_62_ac_c_2cd:Eu-Mg-Se,28.0,A2BC4_oP28_62_ac_c_2cd:Eu-Mg-Se +mp-1232080,Eu2MgSe4,-6.8161712793,-1.6593241992,0.1344429943,0.1344429943,GGA,I-42d,A2BC4_tI28_122_d_a_e:Eu-Mg-Se,14.0,A2BC4_tI28_122_d_a_e:Eu-Mg-Se +mp-1232132,Eu2MgSe4,-6.8184114162,-1.6615643362,0.1322028573,0.1322028573,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Eu-Mg-Se,112.0,A2BC4_cF56_227_c_b_e:Eu-Mg-Se +mp-1522826,SrEuDySbO6,-8.06707815,-3.0308365899,0.0392801587,0.0392801587,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Dy-Eu-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Dy-Eu-O-Sb-Sr +mp-1078198,Ba2CoAg2(SeO)2,-5.1597024189,-1.4378601901,0.1229520627,0.1229520627,GGA+U,I4/mmm,A2B2CD2E2_tI18_139_d_e_a_c_e:Ag-Ba-Co-O-Se,9.0,A2B2CD2E2_tI18_139_d_e_a_c_e:Ag-Ba-Co-O-Se +mp-1521599,BaCo(SeO3)4,-5.4697344233,-0.8935564689000001,0.6227999794,0.6227999794,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Co-O-Se,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Co-O-Se, expected BaCo(SeO4)4 to be BaCo(SeO3)4" +mp-22953,YbCuBi,-3.706592685,-0.5468246583,0.0,-0.0255045149,GGA,P6_3mc,ABC_hP6_186_b_b_a:Bi-Cu-Yb,,ABC_hP6_186_b_b_a:Bi-Cu-Yb +mp-22960,YbCuBi,-3.6714813317,-0.511713305,0.0351113533,0.0096068385,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Bi-Cu-Yb,,ABC_hP6_194_c_d_a:Bi-Cu-Yb +mp-1208674,Sr2YbCu2(BiO4)2,-6.1559559983,-2.1311895666,0.0253251427,0.0253251427,GGA,Cccm,A2B2C8D2E_oC60_66_l_l_2g2l_l_e:Bi-Cu-O-Sr-Yb,,A2B2C8D2E_oC60_66_l_l_2g2l_l_e:Bi-Cu-O-Sr-Yb +mp-1208481,Sr2YbCu2(BiO4)2,-6.1412019233,-2.1164354916,0.0400792177,0.0400792177,GGA,I4/mmm,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Yb,,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Yb +mp-1208511,Sr2YbBiO6,-6.3948441645,-2.5509225061,0.0,-0.0106001391,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Bi-O-Sr-Yb,,AB6C2D_mP20_14_a_3e_e_b:Bi-O-Sr-Yb +mp-1228705,Ba2Sr2La2Cu6O13,-6.4462386924,-2.2065929219,0.0279782123,0.0279782123,GGA,Fmm2,A2B6C2D13E2_oF100_42_c_3d_c_5a2b2d_c:Ba-Cu-La-O-Sr,25.0,A2B6C2D13E2_oF100_42_c_3d_c_5a2b2d_c:Ba-Cu-La-O-Sr +mp-1234812,Rb2CaNb2(TeO6)2,-7.0795361468,-2.3523701244,0.1139035709,0.1139035709,GGA,P1,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Ca-Nb-O-Rb-Te,19.0,AB2C12D2E2_aP19_1_a_2a_12a_2a_2a:Ca-Nb-O-Rb-Te +mp-1233618,Rb2CaNb2(TeO6)2,-7.1018401221,-2.3746740996,0.0915995957,0.0915995957,GGA,Cm,AB2C12D2E2_mC38_8_a_b_4a4b_2a_2a:Ca-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_8_a_b_4a8b_2a_2a:Ca-Nb-O-Rb-Te, expected Rb2CaNb2(TeO10)2 to be Rb2CaNb2(TeO6)2" +mp-1233680,Rb2CaNb2(TeO6)2,-7.0427122342,-2.3155462118,0.1507274836,0.1507274836,GGA,C2/m,AB2C12D2E2_mC38_12_b_e_2i2j_i_ac:Ca-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_a_f_4i8j_i_bc:Ca-Nb-O-Rb-Te, expected Rb2CaNb2(TeO20)2 to be Rb2CaNb2(TeO6)2" +mp-1234321,Rb2CaNb2(TeO6)2,-7.0188521684,-2.291686146,0.1745875494,0.1745875494,GGA,C2/m,AB2C12D2E2_mC38_12_b_ac_2i2j_i_e:Ca-Nb-O-Rb-Te,19.0,"Invalid WP multiplicities - AB2C12D2E2_mC38_12_a_bc_4i6j_i_f:Ca-Nb-O-Rb-Te, expected Rb2CaNb2(TeO16)2 to be Rb2CaNb2(TeO6)2" +mp-1227140,CaSmMgNbO6,-8.219767359,-3.4091770217,0.0,-0.002911354,GGA,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Mg-Nb-O-Sm,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Mg-Nb-O-Sm +mp-1195528,Rb2Th(MoO4)3,-8.1110824483,-2.4848523783,0.0039136422,0.0039136422,GGA+U,C2/c,A3B12C2D_mC72_15_ef_6f_f_e:Mo-O-Rb-Th,36.0,A3B12C2D_mC72_15_ef_6f_f_e:Mo-O-Rb-Th +mp-1194619,Rb4Th(MoO4)4,-7.7730115804,-2.418387006,0.0,-0.0080873723,GGA+U,C2/c,A4B16C4D_mC100_15_2f_8f_2f_e:Mo-O-Rb-Th,50.0,A4B16C4D_mC100_15_2f_8f_2f_e:Mo-O-Rb-Th +mp-1195447,Rb8Th(MoO4)6,-7.4438517921,-2.3399399828,0.0001840838,0.0001840838,GGA+U,C2/c,A6B24C8D_mC156_15_3f_12f_2e3f_e:Mo-O-Rb-Th,78.0,A6B24C8D_mC156_15_3f_12f_2e3f_e:Mo-O-Rb-Th +mp-1195019,Rb2Th3Mg(MoO4)8,-8.4528526388,-2.5645447565,0.0,-0.0086205852,GGA+U,C2/c,AB8C32D2E3_mC184_15_e_4f_16f_f_ef:Mg-Mo-O-Rb-Th,92.0,AB8C32D2E3_mC184_15_e_4f_16f_f_ef:Mg-Mo-O-Rb-Th +mp-1044441,PrMg(CuO3)2,-6.359515662,-1.9335425207,0.0841894521,0.0841894521,GGA,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Cu-Mg-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Cu-Mg-O-Pr, expected PrMg(CuO6)2 to be PrMg(CuO3)2" +mp-2228452,Ba2PrMgCu3O7,-6.122241925,-2.0405578769,0.2821563736,0.2821563736,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Pr,14.0,A2B3CD7E_oP14_25_2b_3c_a_3a2c2d_b:Ba-Cu-Mg-O-Pr +mp-2227205,Ba2PrMgCu3O7,-6.0698546893,-1.9881706412,0.3345436093,0.3345436093,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Pr,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Pr +mp-2240946,Ba2PrMg(CuO2)4,-6.1159311075,-1.9790891041,0.1799829766,0.1799829766,GGA,Pm,A2B4CD8E_mP16_6_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Pr,16.0,A2B4CD8E_mP16_6_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Pr +mp-2241218,Ba2PrMg(CuO2)4,-6.0968619556,-1.9600199522,0.1990521285,0.1990521285,GGA,P2/m,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Pr,16.0,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Pr +mp-2231419,Ba2Pr4Mg(CuO5)2,-6.9403571205,-2.6126122046,0.3987677863,0.3987677863,GGA,Pm,A2B2CD10E4_mP19_6_2b_2b_a_2a4c_4a:Ba-Cu-Mg-O-Pr,19.0,"Invalid WP multiplicities - A2B2CD10E4_mP19_6_2b_2b_a_2a8c_4a:Ba-Cu-Mg-O-Pr, expected Ba2Pr4Mg(CuO9)2 to be Ba2Pr4Mg(CuO5)2" +mp-2231373,Ba2Pr4Mg(CuO5)2,-7.0017569468,-2.6740120309,0.3373679599,0.3373679599,GGA,Amm2,A2B2CD10E4_oC38_38_d_2a_a_2cef_2be:Ba-Cu-Mg-O-Pr,19.0,"Invalid WP multiplicities - A2B2CD10E4_oC38_38_d_2a_a_4ce2f_2be:Ba-Cu-Mg-O-Pr, expected Ba2Pr4Mg(CuO9)2 to be Ba2Pr4Mg(CuO5)2" +mp-2230596,Ba2Pr4Mg(CuO5)2,-6.8724719947,-2.5447270788000003,0.466652912,0.466652912,GGA,Cmmm,A2B2CD10E4_oC38_65_e_ab_c_fno_hj:Ba-Cu-Mg-O-Pr,19.0,"Invalid WP multiplicities - A2B2CD10E4_oC38_65_e_ab_c_f2n3o_2hj:Ba-Cu-Mg-O-Pr, expected Ba2Pr6Mg(CuO11)2 to be Ba2Pr4Mg(CuO5)2" +mp-2232413,Pr4Mg(CuO4)2,-7.179940458,-2.6135520513,0.4178700926,0.4178700926,GGA,C2/m,A2BC8D4_mC30_12_bc_a_2ij_2i:Cu-Mg-O-Pr,15.0,A2BC8D4_mC30_12_ac_b_2ij_2i:Cu-Mg-O-Pr +mp-2222855,Pr2MgCuO4,-6.7734964175,-2.3924897831,0.7059328086000001,0.7059328086000001,GGA,I4mm,ABC4D2_tI16_107_a_a_2b_2a:Cu-Mg-O-Pr,8.0,ABC4D2_tI16_107_a_a_2b_2a:Cu-Mg-O-Pr +mp-2240025,Pr2MgCuO4,-6.7101305025,-2.3291238681,0.7692987236000001,0.7692987236000001,GGA,I-4m2,ABC4D2_tI16_119_a_c_ef_e:Cu-Mg-O-Pr,8.0,ABC4D2_tI16_119_a_c_ef_e:Cu-Mg-O-Pr +mp-2224754,Pr2MgCuO4,-6.5623793438,-2.1813727094,0.9170498823,0.9170498823,GGA,I4/mmm,ABC4D2_tI16_139_a_b_ce_e:Cu-Mg-O-Pr,8.0,ABC4D2_tI16_139_a_b_ce_e:Cu-Mg-O-Pr +mp-2223663,Pr2MgCuO4,-6.6590400113,-2.2780333769,0.8203892148,0.8203892148,GGA,I4/mmm,ABC4D2_tI16_139_a_b_cd_e:Cu-Mg-O-Pr,8.0,ABC4D2_tI16_139_a_b_cd_e:Cu-Mg-O-Pr +mp-1205577,Pr2MgCu2,-4.05274694,-0.18064596,0.0,-0.019693445,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Pr,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Pr +mp-13220,PrMg2Cu9,-3.9017802038,-0.1622530467,0.0,-0.0168184296,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Pr,24.0,"Invalid WP multiplicities - A9B2C_hP24_194_abc2k_f_d:Cu-Mg-Pr, expected PrMg2Cu15 to be PrMg2Cu9" +mp-1046194,Ba2Tl2Zn2Sn3O10,-5.53154593,-1.7116340315,0.3606527118,0.3606527118,GGA,P1,A2B10C3D2E2_aP19_1_2a_10a_3a_2a_2a:Ba-O-Sn-Tl-Zn,19.0,A2B10C3D2E2_aP19_1_2a_10a_3a_2a_2a:Ba-O-Sn-Tl-Zn +mp-1046984,BaZn(SnO2)4,-6.0696233086,-1.8703007614,0.2284588273,0.2284588273,GGA,P-31m,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Sn-Zn,14.0,AB8C4D_hP14_162_a_ck_h_b:Ba-O-Sn-Zn +mp-1353217,Ba2Tl2Zn3(SnO3)4,-5.3972271643,-1.5824002531,0.4273052287,0.4273052287,GGA,I4/mmm,A2B12C4D2E3_tI46_139_e_2e2g_2e_e_ae:Ba-O-Sn-Tl-Zn,23.0,"Invalid WP multiplicities - A2B12C4D2E3_tI46_139_e_4e6g_3e_e_ae:Ba-O-Sn-Tl-Zn, expected Ba2Tl2Zn3(Sn3O16)2 to be Ba2Tl2Zn3(SnO3)4" +mp-1516242,BaCaCeCrO6,-7.870909556,-2.9518251847,0.2048576508,0.2048576508,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Cr-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Cr-O +mp-1517252,BaZrNbInO6,-8.302889928,-3.0029102673,0.0978526162,0.0978526162,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Nb-O-Zr +mp-1044508,CaPr(SnO3)2,-7.1186252245,-2.6700470633,0.1325603584,0.1325603584,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Ca-O-Pr-Sn,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Ca-O-Pr-Sn, expected CaPr(SnO6)2 to be CaPr(SnO3)2" +mp-1519944,BaCaCeFeO6,-7.583362955,-2.7825812098,0.1359183669,0.1359183669,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Fe-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Fe-O +mp-1028147,Mg14ZrMn,-2.4414813575,0.0656209314,0.1019752108,0.1019752108,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Zr, expected Mg18ZrMn to be Mg14ZrMn" +mp-1028137,Mg14ZrMn,-2.4267856856,0.0803166033,0.1166708826,0.1166708826,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Zr, expected Mg26ZrMn to be Mg14ZrMn" +mp-2239855,Sr2MgZrMnO6,-7.5482350591,-2.7874064094,0.3524381843,0.3524381843,GGA+U,Immm,ABC6D2E_oI22_71_c_a_el_f_b:Mg-Mn-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_c_a_2e3l_f_b:Mg-Mn-O-Sr-Zr, expected Sr2MgZrMnO16 to be Sr2MgZrMnO6" +mp-2240158,Sr2MgZrMnO6,-7.6073290245,-2.8465003749,0.2933442189,0.2933442189,GGA+U,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:Mg-Mn-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_3b_2a_a:Mg-Mn-O-Sr-Zr, expected Sr2MgZrMnO9 to be Sr2MgZrMnO6" +mp-2240195,Sr2MgZrMnO6,-7.51560606,-2.7547774103,0.3850671834,0.3850671834,GGA+U,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:Mg-Mn-O-Sr-Zr,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_3b_2a_a:Mg-Mn-O-Sr-Zr, expected Sr2MgZrMnO9 to be Sr2MgZrMnO6" +mp-1023155,Mg6ZrMn,-3.2923180387,0.121606489,0.1728475037,0.1728475037,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Zr, expected Mg12ZrMn to be Mg6ZrMn" +mp-1023204,Mg6ZrMn,-3.2635722556,0.1503522721,0.2015932868,0.2015932868,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Zr, expected Mg12ZrMn to be Mg6ZrMn" +mp-1522047,NaPrDyFeO6,-7.351244993,-2.4652078564,0.1926920886,0.1926920886,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-Na-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-Na-O-Pr +mp-1841520,Ba2Ca3Tl2(FeO3)4,-6.7857072083,-2.097864374,0.1580850962,0.1580850962,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Fe-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Fe-O-Tl, expected Ba2Ca3Tl2(Fe3O16)2 to be Ba2Ca3Tl2(FeO3)4" +mp-1046571,Ba2Tl2Fe3O10,-6.6154885518,-1.7072422626,0.1153006435,0.1153006435,GGA+U,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Fe-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Fe-O-Tl +mp-1046342,Ba2TlFe2O7,-6.5340739325,-1.7201192304,0.2745172952,0.2745172952,GGA+U,P4/mmm,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Fe-O-Tl,12.0,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Fe-O-Tl +mp-1046475,Ba2Ca2Tl2Fe3O10,-6.6760446521,-2.0733400902,0.1207909745,0.1207909745,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Fe-O-Tl,19.0,"Invalid WP multiplicities - A2B2C3D10E2_mC38_5_c_c_ac_ab8c_c:Ba-Ca-Fe-O-Tl, expected Ba2Ca2Tl2(FeO6)3 to be Ba2Ca2Tl2Fe3O10" +mp-636654,LaTiNbBi2O9,-8.2146915761,-2.8479786601,0.0399517675,0.0399517675,GGA,Pbam,A2BCD9E_oP56_55_gh_ad_g_bcgh3i_h:Bi-La-Nb-O-Ti,56.0,"Invalid WP multiplicities - A2BCD9E_oP56_55_2g2h_2ad_h_2b2c4g2h20i_g:Bi-La-Nb-O-Ti, expected La3Ti2Nb2(BiO12)8 to be LaTiNbBi2O9" +mp-1223095,La2Ti3(BiO6)2,-8.4686912574,-3.173968465,0.0213846914,0.0213846914,GGA,Fmm2,A2B2C12D3_oF76_42_c_c_b2cde_ac:Bi-La-O-Ti,19.0,A2B2C12D3_oF76_42_c_c_b2cde_ac:Bi-La-O-Ti +mp-1211253,La2Ti3(BiO6)2,-8.4710558984,-3.1763331061,0.0190200504,0.0190200504,GGA,I4/mmm,A2B2C12D3_tI38_139_e_e_cd2eg_ae:Bi-La-O-Ti,19.0,A2B2C12D3_tI38_139_e_e_cd2eg_ae:Bi-La-O-Ti +mp-1223128,LaTi6Bi7O24,-7.9259514776,-2.7177169464,0.0021025896,0.0021025896,GGA,P1,A7BC24D6_aP38_1_7a_a_24a_6a:Bi-La-O-Ti,38.0,A7BC24D6_aP38_1_7a_a_24a_6a:Bi-La-O-Ti +mp-1211635,LaTi3(BiO4)3,-8.1151398521,-2.8780759005,0.0002548423,0.0002548423,GGA,Pc,A3BC12D3_mP38_7_3a_a_12a_3a:Bi-La-O-Ti,38.0,A3BC12D3_mP38_7_3a_a_12a_3a:Bi-La-O-Ti +mp-694928,Ca3La5Mn7FeO24,-8.3651858913,-2.814648579,0.1318257954,0.1318257954,GGA+U,P1,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Fe-La-Mn-O,40.0,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Fe-La-Mn-O +mp-938392,Ca3La5Mn7FeO24,-7.003233018,-1.4526957058,1.4937786686,1.4937786686,GGA+U,P1,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Fe-La-Mn-O,40.0,A3BC5D7E24_aP40_1_3a_a_5a_7a_24a:Ca-Fe-La-Mn-O +mp-40066,CaLaMnFeO6,-8.1238396315,-2.698462056,0.0574581612,0.0574581612,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Mn-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Mn-O +mp-41963,CaLaMnFeO6,-8.1240321835,-2.698654608,0.0572656092,0.0572656092,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Fe-La-Mn-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_11a:Ca-Fe-La-Mn-O, expected CaLaMnFeO11 to be CaLaMnFeO6" +mp-1375060,CaLa2Mn2(FeO6)2,-7.9844281068,-2.3790622316,0.1637761515,0.1637761515,GGA+U,P1,AB2C2D2E12_aP19_1_a_2a_2a_2a_12a:Ca-Fe-La-Mn-O,19.0,AB2C2D2E12_aP19_1_a_2a_2a_2a_12a:Ca-Fe-La-Mn-O +mp-703320,Sr16Fe6Co2Mo8O45,-7.6686663016,-2.4552266783,0.0619554278,0.0619554278,GGA+U,P2,A2B6C8D45E16_mP77_3_ad_3a3d_4a4d_5a8d16e_8b8c:Co-Fe-Mo-O-Sr,77.0,"Invalid WP multiplicities - A2B6C8D45E16_mP77_3_ab_3a3b_4a4b_5a8b32e_8c8d:Co-Fe-Mo-O-Sr, expected Sr16Fe6Co2Mo8O77 to be Sr16Fe6Co2Mo8O45" +mp-720106,Sr10Fe4Co(MoO6)5,-7.7243999438,-2.5141549627,0.0165832537,0.0165832537,GGA+U,P-1,AB4C5D30E10_aP50_2_a_2i_d2i_15i_5i:Co-Fe-Mo-O-Sr,50.0,"Invalid WP multiplicities - AB4C5D30E10_aP50_2_a_3i_d3i_30i_8i:Co-Fe-Mo-O-Sr, expected Sr16Fe6CoMo7O60 to be Sr10Fe4Co(MoO6)5" +mp-1218934,Sr10Fe4Co(MoO6)5,-7.7119225114,-2.5016775303000003,0.0290606861,0.0290606861,GGA+U,I4/m,AB4C5D30E10_tI100_87_a_h_bh_e5hi_di:Co-Fe-Mo-O-Sr,50.0,"Invalid WP multiplicities - AB4C5D30E10_tI100_87_a_h_b2h_2e20h3i_2d3i:Co-Fe-Mo-O-Sr, expected Sr28Fe4Co(MoO12)9 to be Sr10Fe4Co(MoO6)5" +mp-706242,Sr20FeCo9(MoO6)10,-7.6000578552,-2.4851321131,0.0006444227,0.0006444227,GGA+U,P-1,A9BC10D60E20_aP100_2_a4i_c_5i_30i_10i:Co-Fe-Mo-O-Sr,100.0,"Invalid WP multiplicities - A9BC10D60E20_aP100_2_a7i_c_9i_60i_19i:Co-Fe-Mo-O-Sr, expected Sr38FeCo15(Mo3O20)6 to be Sr20FeCo9(MoO6)10" +mp-744266,Sr20Fe3Co7(MoO6)10,-7.6401878598,-2.4980280494,0.0009665237,0.0009665237,GGA+U,P1,A7B3C10D60E20_aP100_1_7a_3a_10a_60a_20a:Co-Fe-Mo-O-Sr,100.0,A7B3C10D60E20_aP100_1_7a_3a_10a_60a_20a:Co-Fe-Mo-O-Sr +mp-720269,Sr20Fe9Co(MoO6)10,-7.7608859565,-2.5370239412,0.0,-0.0065611252,GGA+U,P-1,AB9C10D60E20_aP200_2_i_bcdh7i_10i_60i_20i:Co-Fe-Mo-O-Sr,200.0,"Invalid WP multiplicities - AB9C10D60E20_aP200_2_i_bcdh14i_18i_120i_40i:Co-Fe-Mo-O-Sr, expected Sr40Fe16Co(Mo3O20)6 to be Sr20Fe9Co(MoO6)10" +mp-1218936,Sr10Fe3Co2(MoO6)5,-7.6700037924,-2.4869928796,0.0311324364,0.0311324364,GGA+U,P-1,A2B3C5D30E10_aP50_2_i_ai_d2i_15i_5i:Co-Fe-Mo-O-Sr,50.0,"Invalid WP multiplicities - A2B3C5D30E10_aP50_2_i_a2i_d3i_28i_9i:Co-Fe-Mo-O-Sr, expected Sr18Fe5Co2(MoO8)7 to be Sr10Fe3Co2(MoO6)5" +mp-18805,Sr2CoMoO6,-7.547350432,-2.4460417241,0.033125793,0.0262332922,GGA+U,I4/m,ABC6D2_tI20_87_a_b_eh_d:Co-Mo-O-Sr,10.0,"Invalid WP multiplicities - ABC6D2_tI20_87_a_b_2e2h_d:Co-Mo-O-Sr, expected Sr2CoMoO12 to be Sr2CoMoO6" +mp-560723,Sr2CoMoO6,-7.55296458,-2.4516558721,0.027511645,0.0206191442,GGA+U,I4/mmm,ABC6D2_tI20_139_a_b_eh_d:Co-Mo-O-Sr,10.0,"Invalid WP multiplicities - ABC6D2_tI20_139_a_b_2e2h_d:Co-Mo-O-Sr, expected Sr2CoMoO12 to be Sr2CoMoO6" +mp-510546,Sr2CoMoO6,-7.580476225,-2.4791675171,0.0,-0.0068925008,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Mo-O-Sr,20.0,ABC6D2_cF40_225_a_b_e_c:Co-Mo-O-Sr +mp-1521059,SrCaAlBiO6,-6.6867662,-2.5906371439,0.1017023967,0.1017023967,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-Ca-O-Sr,,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-Ca-O-Sr +mp-1228063,Ba3TiAl10O20,-7.8646079012,-3.4516093905,0.0070332991,0.0070332991,GGA,C2/m,A10B3C20D_mC68_12_h2j_ai_2i4j_b:Al-Ba-O-Ti,34.0,A10B3C20D_mC68_12_h2j_ai_2i4j_b:Al-Ba-O-Ti +mp-1249385,Ba2Ti2AlTlO7,-7.3841183362,-2.7407357309,0.4267387312,0.4267387312,GGA,Cm,AB2C7D2E_mC26_8_a_2a_3a2b_2a_a:Al-Ba-O-Ti-Tl,13.0,"Invalid WP multiplicities - AB2C7D2E_mC26_8_a_2a_3a3b_2a_a:Al-Ba-O-Ti-Tl, expected Ba2Ti2AlTlO9 to be Ba2Ti2AlTlO7" +mp-1046011,Ba2Ti2AlTlO7,-7.3021238762,-2.6587412709,0.5087331912,0.5087331912,GGA,Amm2,AB2C7D2E_oC26_38_b_c_acf_c_a:Al-Ba-O-Ti-Tl,13.0,"Invalid WP multiplicities - AB2C7D2E_tP13_123_b_g_a2h2i_h_c:Al-Ba-O-Ti-Tl, expected Ba2Ti2AlTlO13 to be Ba2Ti2AlTlO7" +mp-1048025,Ba2Ti3AlO7,-7.8514150515,-2.782428687,0.41966223,0.41966223,GGA,Pmmm,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-Ti,13.0,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-Ti +mp-1048108,BaTi4AlO7,-8.4698228635,-2.9411044161,0.2253356411,0.2253356411,GGA,P6_3mc,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-Ti,26.0,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-Ti +mp-1041926,Ba2Ti3AlO8,-8.0813825143,-3.0211316964,0.3356077935,0.3356077935,GGA,P4/mmm,AB2C8D3_tP14_123_c_h_egi_bg:Al-Ba-O-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_tP14_123_c_h_2e2g2i_b2g:Al-Ba-O-Ti, expected Ba2Ti5AlO16 to be Ba2Ti3AlO8" +mp-755440,LiLa3Ti3CrO12,-8.915871086,-3.4450344742,0.057878441,0.057878441,GGA+U,P1,AB3CD12E3_aP20_1_a_3a_a_12a_3a:Cr-La-Li-O-Ti,20.0,AB3CD12E3_aP20_1_a_3a_a_12a_3a:Cr-La-Li-O-Ti +mp-743640,Li3La8Ti9Cr3O36,-8.9048396092,-3.4249380904,0.0668603967,0.0668603967,GGA+U,P1,A3B8C3D36E9_aP59_1_3a_8a_3a_36a_9a:Cr-La-Li-O-Ti,59.0,"Invalid WP multiplicities - A3B8C3D36E9_mP59_6_2ab_4a4b_2ab_6a6b24c_4a5b:Cr-La-Li-O-Ti, expected Li3La8Ti9Cr3O60 to be Li3La8Ti9Cr3O36" +mp-1236061,LiLa2TiCrO6,-8.3646227436,-3.0001128499,0.2912594556,0.2912594556,GGA+U,P1,AB2CD6E_aP11_1_a_2a_a_6a_a:Cr-La-Li-O-Ti,11.0,AB2CD6E_aP11_1_a_2a_a_6a_a:Cr-La-Li-O-Ti +mp-766086,LiLa2Ti2CrO9,-8.8253214523,-3.3756436536,0.0423591612,0.0423591612,GGA+U,P2_1,AB2CD9E2_mP60_4_2a_4a_2a_18a_4a:Cr-La-Li-O-Ti,60.0,"Invalid WP multiplicities - AB2CD9E2_mP60_4_3a_6a_3a_35a_8a:Cr-La-Li-O-Ti, expected Li3La6Ti8Cr3O35 to be LiLa2Ti2CrO9" +mp-1202192,Na6Sn4Ge5O22,-6.2533772204,-2.039438569,0.0363612357,0.0363612357,GGA,P-1,A5B6C22D4_aP74_2_5i_6i_22i_4i:Ge-Na-O-Sn,74.0,A5B6C22D4_aP74_2_5i_6i_22i_4i:Ge-Na-O-Sn +mp-1199922,Na4Sn2Ge5O17,-6.2975782459000005,-1.9933606655,0.0711638158,0.0711638158,GGA,P2,A5B4C17D2_mP56_3_ad4e_4e_bc16e_2e:Ge-Na-O-Sn,56.0,A5B4C17D2_mP56_3_ac4e_4e_bd16e_2e:Ge-Na-O-Sn +mp-1201696,Na4Sn2Ge5O17,-6.2959369113,-1.9917193309,0.0728051504,0.0728051504,GGA,P2/c,A5B4C17D2_mP56_13_e2g_2g_f8g_g:Ge-Na-O-Sn,56.0,A5B4C17D2_mP56_13_e2g_2g_f8g_g:Ge-Na-O-Sn +mp-1047910,BaZnCrF7,-5.9029263468,-3.2817144675,0.003719984,0.003719984,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Cr-F-Zn,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Cr-F-Zn, expected BaZnCrF23 to be BaZnCrF7" +mp-1045862,Ba2ZnCr2CuF14,-5.909949862,-3.1467648298,0.0201604742,0.0201604742,GGA+U,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ba-Cr-Cu-F-Zn,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ba-Cr-Cu-F-Zn, expected Ba2ZnCr2CuF48 to be Ba2ZnCr2CuF14" +mp-1517453,NaSrSmSeO6,-6.480359235,-2.3896943723,0.1440589196,0.1440589196,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Se-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Na-O-Se-Sm-Sr +mp-1184717,Ho2CuPt,-5.6136719175,-0.779882485,0.0073492518,0.0073492518,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Ho-Pt,4.0,AB2C_cF16_225_a_c_b:Cu-Ho-Pt +mp-1214783,Ba2Ho2CuPtO8,-7.1684241507,-2.6865229150000003,0.0135540896,0.0135540896,GGA,Pnma,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Ho-O-Pt,56.0,A2BC2D8E_oP56_62_2c_c_2c_2c3d_c:Ba-Cu-Ho-O-Pt +mp-558231,Ba3Ho2Cu2PtO10,-6.8868165161,-2.516917831,0.0259422222,0.0259422222,GGA,C2/m,A3B2C2D10E_mC36_12_ai_i_i_i2j_d:Ba-Cu-Ho-O-Pt,18.0,"Invalid WP multiplicities - A3B2C2D10E_mC36_12_a2i_i_i_2i5j_c:Ba-Cu-Ho-O-Pt, expected Ba5Ho2Cu2PtO24 to be Ba3Ho2Cu2PtO10" +mp-558568,Rb2CdSiO4,-5.8296708784,-2.3176670309,0.0,-0.000291863,GGA,C222_1,AB4C2D_oC128_20_2c_8c_2a3c_2bc:Cd-O-Rb-Si,64.0,"Invalid WP multiplicities - AB4C2D_oC128_20_2c_27c_4a9c_4b2c:Cd-O-Rb-Si, expected Rb11Cd2Si4O27 to be Rb2CdSiO4" +mp-677716,RbAl3Cd(SiO4)3,-7.4650854686,-3.0262669713,0.0832514056,0.0832514056,GGA,P1,A3BC12DE3_aP80_1_12a_4a_48a_4a_12a:Al-Cd-O-Rb-Si,80.0,A3BC12DE3_aP80_1_12a_4a_48a_4a_12a:Al-Cd-O-Rb-Si +mp-1250508,RbAl3Cd(SiO4)3,-7.4785139543,-3.0396954569,0.06982292,0.06982292,GGA,P1,A3BC12DE3_aP80_1_12a_4a_48a_4a_12a:Al-Cd-O-Rb-Si,80.0,A3BC12DE3_aP80_1_12a_4a_48a_4a_12a:Al-Cd-O-Rb-Si +mp-707302,Rb10Al24Cd7(SiO4)24,-7.477746207,-3.0600496979,0.0594374609,0.0594374609,GGA,P1,A24B7C96D10E24_aP161_1_24a_7a_96a_10a_24a:Al-Cd-O-Rb-Si,161.0,A24B7C96D10E24_aP161_1_24a_7a_96a_10a_24a:Al-Cd-O-Rb-Si +mp-15125,Rb2CdSi5O12,-7.4183208942,-2.9497802647,0.0,-0.0244845547,GGA,Pbca,AB12C2D5_oP160_61_c_12c_2c_5c:Cd-O-Rb-Si,160.0,"Invalid WP multiplicities - AB12C2D5_oP160_61_c_15c_2c_5c:Cd-O-Rb-Si, expected Rb2Cd(SiO3)5 to be Rb2CdSi5O12" +mp-1520014,NaPrInSbO6,-6.554548867,-2.2881240384,0.1959922887,0.1959922887,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Pr-Sb +mp-1523010,SrSmDyMnO6,-8.00090468,-3.0152032812,0.2034041778,0.2034041778,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Dy-Mn-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Dy-Mn-O-Sm-Sr +mp-756452,SmDyO3,-8.6947152685,-3.8616274468,0.0749527906,0.0749527906,GGA,Pnma,AB3C_oP20_62_a_cd_c:Dy-O-Sm,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_3c2d_c:Dy-O-Sm, expected SmDyO7 to be SmDyO3" +mp-1225256,Eu2ZnSb2,-6.838597682,-0.832247744,0.0167591862,0.0167591862,GGA,P-6m2,A2B2C_hP5_187_i_bc_a:Eu-Sb-Zn,5.0,A2B2C_hP5_187_i_bc_a:Eu-Sb-Zn +mp-1069042,Eu(ZnSb)2,-4.769505462,-0.562607162,0.0,-0.0550562998,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-Sb-Zn,5.0,AB2C2_hP5_164_a_d_d:Eu-Sb-Zn +mp-1194667,Ca21(Zn2Sb9)2,-3.8340703022,-1.0089867152,0.0,-0.0425247918,GGA,C2/m,A21B18C4_mC172_12_3i9j_gh8i4j_2ij:Ca-Sb-Zn,86.0,A21B18C4_mC172_12_3i9j_gh8i4j_2ij:Ca-Sb-Zn +mp-1519008,CaEuZnSbO6,-7.124019638,-2.3908717583,0.195067484,0.195067484,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Zn +mp-21594,Ca9Zn4Sb9,-3.628310373,-0.8896565311,0.0,-0.0098884478,GGA,Pbam,A9B9C4_oP44_55_ag3h_c2g2h_2g:Ca-Sb-Zn,44.0,A9B9C4_oP44_55_ag3h_c2g2h_2g:Ca-Sb-Zn +mp-7429,Ca(ZnSb)2,-3.080045532,-0.523427616,0.0,-0.0373544395,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Sb-Zn,5.0,AB2C2_hP5_164_a_d_d:Ca-Sb-Zn +mp-1227973,Ca2ZnSb2,-3.5734026829000003,-0.8676135129,0.0028785923,0.0028785923,GGA,Pm,A2B2C_mP45_6_12a6b_8a10b_a8b:Ca-Sb-Zn,45.0,A2B2C_mP45_6_12a6b_8a10b_a8b:Ca-Sb-Zn +mp-1193786,Eu11(ZnSb2)6,-6.6890243686,-0.8292486328,0.0,-0.0094912728,GGA,C2/m,A11B12C6_mC58_12_a5i_6i_3i:Eu-Sb-Zn,29.0,A11B12C6_mC58_12_a5i_6i_3i:Eu-Sb-Zn +mp-1041089,CaCu2(TeO4)2,-5.8476444463,-1.5350187004,0.1550933604,0.1550933604,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-Te,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-Te, expected CaCu6Te5O26 to be CaCu2(TeO4)2" +mp-558663,Ca2CuTe4(ClO5)2,-5.8084077074,-1.9216924213,0.0,-0.0095443753,GGA,P-1,A2B2CD10E4_aP19_2_i_i_a_5i_2i:Ca-Cl-Cu-O-Te,19.0,"Invalid WP multiplicities - A2B2CD10E4_aP19_2_i_i_a_10i_3i:Ca-Cl-Cu-O-Te, expected Ca2CuTe6(ClO10)2 to be Ca2CuTe4(ClO5)2" +mp-1046533,Ca4Cu5(TeO6)3,-6.0210839002,-1.7881256551,0.1304936043,0.1304936043,GGA,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Ca-Cu-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Ca-Cu-O-Te, expected Ca12Cu9(TeO14)5 to be Ca4Cu5(TeO6)3" +mp-22491,PrFeAsO,-7.2061742625,-1.4919907422,0.3808789066,0.3808789066,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Fe-O-Pr,8.0,ABCD_tP8_129_c_a_b_c:As-Fe-O-Pr +mp-1219902,Pr4FeAs4Ru3O4,-7.7189989931,-1.8539939734,0.0504203849,0.0504203849,GGA+U,P-4m2,A4BC4D4E3_tP16_115_2g_a_ef_2g_bcd:As-Fe-O-Pr-Ru,16.0,"Invalid WP multiplicities - A4BC4D4E3_tP16_115_4g_a_ef_4g_bcd:As-Fe-O-Pr-Ru, expected Pr8FeAs8Ru3O4 to be Pr4FeAs4Ru3O4" +mp-1199591,Pr6Fe13As,-7.2898615432,-0.11712011,0.0319948195,0.0319948195,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:As-Fe-Pr,40.0,AB13C6_tI80_140_a_dk2l_fl:As-Fe-Pr +mp-1219984,Pr2FeAs2RuO2,-7.52728418,-1.7125529934,0.1918613649,0.1918613649,GGA+U,P-4m2,A2BC2D2E_tP8_115_g_a_cd_g_b:As-Fe-O-Pr-Ru,8.0,A2BC2D2E_tP8_115_g_a_cd_g_b:As-Fe-O-Pr-Ru +mp-1179919,Pr(As3Ru)4,-6.2138521441,-0.4616205691,0.0,-0.0058680462,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Pr-Ru,17.0,A12BC4_cI34_204_g_a_c:As-Pr-Ru +mp-1209715,Pr2FeAs2O,-5.52530793,-0.1425148898,1.603114641,1.603114641,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:As-Fe-O-Pr,6.0,A2BCD2_tP6_123_g_a_b_g:As-Fe-O-Pr +mp-1189397,Pr(FeAs3)4,-5.9373965071,-0.3744311274,0.0,-0.0125643679,GGA,Im-3,A12B4C_cI34_204_g_c_a:As-Fe-Pr,17.0,A12B4C_cI34_204_g_c_a:As-Fe-Pr +mp-1519878,SrHfNbSnO6,-8.530335352,-2.9865661874,0.1986048258,0.1986048258,GGA,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Hf-Nb-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Hf-Nb-O-Sn-Sr +mp-1179854,PrGa2Co3,-5.6797527522,-0.3194108881,0.0273709103,0.0273709103,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Pr,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Pr +mp-1219978,PrGa2Co3,-5.6711473833,-0.3108055192,0.0359762792,0.0359762792,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Ga-Pr,6.0,A3B2C_hP6_191_g_c_a:Co-Ga-Pr +mp-504742,Pr8Ga3Co,-4.8482148375000005,-0.3115605123,0.0,-0.0049018904,GGA,P6_3mc,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Pr,24.0,AB3C8_hP24_186_b_c_ab2c:Co-Ga-Pr +mp-1104827,Pr3GaCo3,-5.7157471436,-0.1877804761,0.0076395895,0.0076395895,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Co-Ga-Pr,14.0,A3BC3_oC28_63_cf_a_cf:Co-Ga-Pr +mp-1190263,Pr2Ga2Co15,-6.5025681121,-0.0687380868,0.059800512,0.059800512,GGA,R-3m,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Pr,19.0,A15B2C2_hR57_166_dfh_c_c:Co-Ga-Pr +mp-30554,PrGaCo2,-5.6623978575,-0.1559885156,0.1409807771,0.1409807771,GGA,Pmma,A2BC_oP8_51_ae_f_f:Co-Ga-Pr,8.0,A2BC_oP8_51_ae_f_f:Co-Ga-Pr +mp-1199241,Pr(Ga4Co)2,-4.3020811252,-0.3727802593,0.0115649793,0.0115649793,GGA,Pbam,A2B8C_oP44_55_2g_ad2g5h_g:Co-Ga-Pr,44.0,A2B8C_oP44_55_2g_ad2g5h_g:Co-Ga-Pr +mp-1220102,PrGa3Co10,-6.2422157254,-0.1744748845,0.0144319936,0.0144319936,GGA,Fmm2,A10B3C_oF112_42_2a2c3d2e_2cd_b:Co-Ga-Pr,28.0,"Invalid WP multiplicities - A10B3C_oF112_42_2a2c3d3e_2cd_b:Co-Ga-Pr, expected Pr(GaCo4)3 to be PrGa3Co10" +mp-623261,PrGaCo,-5.2386119933,-0.2661721358,0.124862548,0.124862548,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Pr,12.0,ABC_oP12_62_c_c_c:Co-Ga-Pr +mp-1103498,PrGaCo,-5.331468085,-0.3590282275,0.0320064564,0.0320064564,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Pr,12.0,ABC_oP12_62_c_c_c:Co-Ga-Pr +mp-2219225,MgCu2(SeO4)2,-5.4907240669,-1.1550297565,0.2793823645,0.2793823645,GGA,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Cu-Mg-O-Se,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_4c2d2e_ab:Cu-Mg-O-Se, expected MgCu2(SeO8)2 to be MgCu2(SeO4)2" +mp-2219905,MgCu2(SeO4)2,-5.44463634,-1.1089420296,0.3254700914,0.3254700914,GGA,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:Cu-Mg-O-Se,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_ac_b_2i2j_i:Cu-Mg-O-Se, expected MgCu2(SeO6)2 to be MgCu2(SeO4)2" +mp-2218832,MgCu2(SeO4)2,-5.5490325269,-1.2133382165,0.2210739045,0.2210739045,GGA,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Cu-Mg-O-Se,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_4c2d2e_ab:Cu-Mg-O-Se, expected MgCu2(SeO8)2 to be MgCu2(SeO4)2" +mp-2232281,MgCu4(Ag2O3)2,-4.6911487953,-0.7573179279000001,0.22126853,0.22126853,GGA,C2,A4B4CD6_mC30_5_2c_2c_a_ab2c:Ag-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B4CD6_mC30_5_4c_4c_a_ab4c:Ag-Cu-Mg-O, expected MgCu8(Ag4O5)2 to be MgCu4(Ag2O3)2" +mp-2233248,MgCu2Ag(SeO5)2,-5.5072294788,-1.1891070124,0.0772888734,0.0772888734,GGA,Cm,AB2CD10E2_mC32_8_a_b_a_6a2b_2a:Ag-Cu-Mg-O-Se,16.0,AB2CD10E2_mC32_8_a_b_a_6a2b_2a:Ag-Cu-Mg-O-Se +mp-1104157,Cu2Ag(SeO5)2,-5.325817558,-0.8265055973000001,0.0462954336,0.0462954336,GGA,C2/m,AB2C10D2_mC30_12_a_f_3ij_i:Ag-Cu-O-Se,15.0,AB2C10D2_mC30_12_a_e_3ij_i:Ag-Cu-O-Se +mp-1220419,Nd2(CoCu)5,-5.4851620958,-0.0206689967,0.0954128379,0.0954128379,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Cu-Nd,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Cu-Nd, expected Nd2Co7Cu5 to be Nd2(CoCu)5" +mp-1214600,Ba2NdCoCu2O7,-6.7004849377,-2.1974349818,0.0230506935,0.0230506935,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Nd-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Nd-O +mp-1518497,BaSrCeNbO6,-8.2967836495,-3.3644841639,0.049460302,0.049460302,GGA,P222,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Ce-Nb-O-Sr,40.0,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Ce-Nb-O-Sr +mp-1522332,NaCaNbSnO6,-7.368465077,-2.6565516434000003,0.106813837,0.106813837,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-Sn +mp-2226152,Sr2MgCuTeO6,-6.0129499909,-2.203685283,0.2696137564,0.2696137564,GGA,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Cu-Mg-O-Sr-Te,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Cu-Mg-O-Sr-Te +mp-1516992,SmEuHfTiO6,-9.780219381,-3.5293792561,0.1741823391,0.1741823391,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sm-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sm-Ti +mp-555010,Sm2MnNiO6,-8.214168299,-2.808222648,0.0,-0.0489593217,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Ni-O-Sm,20.0,"Invalid WP multiplicities - ABC6D2_mP20_14_a_b_8e_e:Mn-Ni-O-Sm, expected Sm2MnNiO16 to be Sm2MnNiO6" +mp-1048899,CaLaCrCoO6,-7.8667229835,-2.5284125317,0.1188641663,0.1188641663,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-Co-Cr-La-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_12a:Ca-Co-Cr-La-O, expected CaLaCrCoO12 to be CaLaCrCoO6" +mp-1519858,BaNdFeSnO6,-7.440473268,-2.5557884975,0.126912,0.126912,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Nd-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-Nd-O-Sn +mp-1519899,SrEuFeSbO6,-7.918448939,-2.4958839419,0.0226329617,0.0226329617,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Fe-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Fe-O-Sb-Sr +mp-1225440,Eu2FeSbO7,-8.6953642359,-2.5371963242,0.0,-0.0254868241,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Eu-Fe-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Eu-Fe-O-Sb, expected Eu2FeSbO13 to be Eu2FeSbO7" +mp-1221068,NaErTi2O6,-8.583662703,-3.4475266626,0.0114953064,0.0114953064,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Er-Na-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_3a6b_b:Er-Na-O-Ti, expected NaErTi2O15 to be NaErTi2O6" +mp-1221247,Na3ErTi2Nb2O12,-8.332505589,-3.1380479221,0.0150110955,0.0150110955,GGA,P1,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Er-Na-Nb-O-Ti,20.0,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Er-Na-Nb-O-Ti +mp-1173711,Na3ErTi2Nb2O12,-8.33844696,-3.1439892931,0.0090697245,0.0090697245,GGA,Pmc2_1,AB3C2D12E2_oP40_26_a_bc_c_ab5c_c:Er-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_oP40_26_a_bc_c_2a2b12c_c:Er-Na-Nb-O-Ti, expected Na3ErTi2Nb2O28 to be Na3ErTi2Nb2O12" +mp-1101898,Li4Ce3Ge4,-4.5988072045,-0.6054371726000001,0.0123062642,0.0123062642,GGA,Immm,A3B4C4_oI22_71_af_eh_n:Ce-Ge-Li,11.0,A3B4C4_oI22_71_af_eh_n:Ce-Ge-Li +mp-1205531,CeTiGe3,-6.209606585,-0.6700736377000001,0.0,-0.0543450549,GGA,P6_3/mmc,AB3C_hP10_194_c_h_a:Ce-Ge-Ti,10.0,AB3C_hP10_194_c_h_a:Ce-Ge-Ti +mp-20063,Li3Ce5Ge4,-4.8145889317,-0.3242284487,0.2405269004,0.2405269004,GGA,Amm2,A5B4C3_oC24_38_2a3b_2c_2ab:Ce-Ge-Li,12.0,A5B4C3_oC24_38_2a3b_2c_2ab:Ce-Ge-Li +mp-30042,Li2CeGe,-3.83088281,-0.2373921242,0.1873064886,0.1873064886,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Ce-Ge-Li,8.0,ABC2_hP8_194_a_c_f:Ce-Ge-Li +mp-19860,CeTiGe,-6.72677226,-0.5762359178,0.0117055684,0.0117055684,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ce-Ge-Ti,6.0,ABC_tP6_129_c_c_a:Ce-Ge-Ti +mp-1077736,CeTiGe,-6.70441121,-0.5538748678000001,0.0340666184,0.0340666184,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ce-Ge-Ti,6.0,ABC_tI12_139_e_e_c:Ce-Ge-Ti +mp-3770,Li2Ce2Ge3,-4.8548312907,-0.6329587752,0.041151745,0.041151745,GGA,Cmcm,A2B3C2_oC28_63_2c_cf_f:Ce-Ge-Li,14.0,A2B3C2_oC28_63_2c_cf_f:Ce-Ge-Li +mp-1192957,Li8Ce7Ge10,-4.8008492032,-0.6795177805,0.0,-0.0586685104,GGA,Cmmm,A7B10C8_oC50_65_ag2h_ghjp_pq:Ce-Ge-Li,25.0,A7B10C8_oC50_65_ag2h_ghjp_pq:Ce-Ge-Li +mp-1197625,Li(CeGe)4,-5.5768695128,-0.6731594120000001,0.0243488079,0.0243488079,GGA,Pnma,A4B4C_oP36_62_2d_2cd_c:Ce-Ge-Li,36.0,A4B4C_oP36_62_2d_2cd_c:Ce-Ge-Li +mp-20428,LiCeGe2,-4.8875270025,-0.6155100696,0.0,-0.0226593037,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ce-Ge-Li,16.0,AB2C_oP16_62_c_2c_c:Ce-Ge-Li +mp-1228337,Ba3La2Ti2Nb2O15,-8.7037697133,-3.4611503878,0.0497476133,0.0497476133,GGA,P-3m1,A3B2C2D15E2_hP24_164_ad_d_c_e2i_d:Ba-La-Nb-O-Ti,24.0,A3B2C2D15E2_hP24_164_ad_d_c_e2i_d:Ba-La-Nb-O-Ti +mp-677222,Ba3La3Ti4NbO18,-8.7573442121,-3.540495383,0.0660262877,0.0660262877,GGA,R3m,A3B3CD18E4_hR87_160_3a_3a_a_6b_4a:Ba-La-Nb-O-Ti,29.0,A3B3CD18E4_hR87_160_3a_3a_a_6b_4a:Ba-La-Nb-O-Ti +mp-1228754,Ba2La3Ti3NbO15,-8.8824763377,-3.6060562146,0.0241157282,0.0241157282,GGA,P3c1,A2B3CD15E3_hP48_158_ab_abc_c_5d_abc:Ba-La-Nb-O-Ti,48.0,A2B3CD15E3_hP48_158_ab_abc_c_5d_abc:Ba-La-Nb-O-Ti +mp-1214803,Ba2La3Ti2Nb2O15,-8.894637924,-3.5263089249,0.0385541791,0.0385541791,GGA,P-3c1,A2B3C2D15E2_hP48_165_d_ad_c_f2g_d:Ba-La-Nb-O-Ti,48.0,A2B3C2D15E2_hP48_165_d_ad_c_f2g_d:Ba-La-Nb-O-Ti +mp-684815,Ba4La2Ti3Nb2O18,-8.6546327779,-3.4657570227,0.0420551789,0.0420551789,GGA,R-3m,A4B2C2D18E3_hR87_166_2c_c_c_3h_ac:Ba-La-Nb-O-Ti,29.0,"Invalid WP multiplicities - A4B2C2D18E3_hR87_166_3c_c_c_5h_a2c:Ba-La-Nb-O-Ti, expected Ba6La2Ti5Nb2O30 to be Ba4La2Ti3Nb2O18" +mp-1228208,Ba4LaTiNb3O15,-8.5729993154,-3.3641807875,0.0274432718,0.0274432718,GGA,P3m1,A4BC3D15E_hP24_156_a2bc_a_a2c_5d_b:Ba-La-Nb-O-Ti,24.0,A4BC3D15E_hP24_156_a2bc_a_a2c_5d_b:Ba-La-Nb-O-Ti +mp-1228439,Ba4LaTiNb3O15,-8.5502179554,-3.3413994275,0.0502246318,0.0502246318,GGA,P3m1,A4BC3D15E_hP24_156_a2bc_a_b2c_5d_a:Ba-La-Nb-O-Ti,24.0,A4BC3D15E_hP24_156_a2bc_a_b2c_5d_a:Ba-La-Nb-O-Ti +mp-1518116,BaSrTiBiO6,-7.295611966,-2.7931537852,0.105402224,0.105402224,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Ti +mp-1222638,LiMg4Al(MoO4)6,-7.8386800681,-2.3984009395,0.0,-0.001042524,GGA+U,P1,ABC4D6E24_aP36_1_a_a_4a_6a_24a:Al-Li-Mg-Mo-O,36.0,ABC4D6E24_aP36_1_a_a_4a_6a_24a:Al-Li-Mg-Mo-O +mp-1222672,LiMgAl(MoO4)3,-7.8910766594,-2.3826325699,0.0,-0.0001072735,GGA+U,P-1,ABCD3E12_aP36_2_i_i_i_3i_12i:Al-Li-Mg-Mo-O,36.0,ABCD3E12_aP36_2_i_i_i_3i_12i:Al-Li-Mg-Mo-O +mp-1235259,LiTb4Al2(FeO6)2,-8.108054836200001,-3.1443478894,0.1037659478,0.1037659478,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb +mp-1235267,LiTb4Al2(FeO6)2,-8.0559206024,-3.0922136556,0.1559001816,0.1559001816,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb +mp-1235570,LiTb4Al2(FeO6)2,-8.1017332814,-3.1380263347,0.1100875026,0.1100875026,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb +mp-1236305,LiTb4Al2(FeO6)2,-8.0463516157,-3.082644669,0.1654691683,0.1654691683,GGA+U,P1,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb,21.0,A2B2CD12E4_aP21_1_2a_2a_a_12a_4a:Al-Fe-Li-O-Tb +mp-1222539,Li4Sc3In(SiO3)8,-7.9992100525,-3.211513657,0.0052068727,0.0052068727,GGA,P1,AB4C24D3E8_aP40_1_a_4a_24a_3a_8a:In-Li-O-Sc-Si,40.0,AB4C24D3E8_aP40_1_a_4a_24a_3a_8a:In-Li-O-Sc-Si +mp-1222563,Li4Sc3In(SiO3)8,-7.9995632882,-3.2118668927,0.0048536369,0.0048536369,GGA,P1,AB4C24D3E8_aP40_1_a_4a_24a_3a_8a:In-Li-O-Sc-Si,40.0,AB4C24D3E8_aP40_1_a_4a_24a_3a_8a:In-Li-O-Sc-Si +mp-1096271,LiSc2In,-2.22317132,2.1082148817,2.3943645373,2.3943645373,GGA,Immm,ABC2_oI8_71_a_b_e:In-Li-Sc,4.0,ABC2_oI8_71_a_b_e:In-Li-Sc +mp-1096167,LiScIn2,-1.9194161925,1.5167736654,1.8722642517,1.8722642517,GGA,Immm,A2BC_oI8_71_e_a_b:In-Li-Sc,4.0,A2BC_oI8_71_e_a_b:In-Li-Sc +mp-1185454,LiScIn2,-3.7819181525,-0.3457282946,0.0097622917,0.0097622917,GGA,Fm-3m,A2BC_cF16_225_c_a_b:In-Li-Sc,4.0,A2BC_cF16_225_c_a_b:In-Li-Sc +mp-1093815,Li2ScIn,-1.577394715,1.6481049271,1.9216423472,1.9216423472,GGA,Immm,AB2C_oI8_71_a_e_b:In-Li-Sc,4.0,AB2C_oI8_71_a_e_b:In-Li-Sc +mp-1184974,Li2ScIn,-3.4833873725,-0.2578877304,0.0156496897,0.0156496897,GGA,Fm-3m,AB2C_cF16_225_a_c_b:In-Li-Sc,4.0,AB2C_cF16_225_a_c_b:In-Li-Sc +mp-7205,LiInSiO4,-6.9222806382,-2.6547549994,0.0,-0.0019902664,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:In-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c3d_c:In-Li-O-Si, expected LiInSiO11 to be LiInSiO4" +mp-6240,LiIn(SiO3)2,-7.3480629345,-2.8289254421,0.0098126843,0.0098126843,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:In-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_5f_f:In-Li-O-Si, expected LiIn(SiO5)2 to be LiIn(SiO3)2" +mp-1222575,Li4ScIn3(SiO3)8,-7.5641621168,-2.95550499,0.0092272708,0.0092272708,GGA,P2,A3B4C24DE8_mP40_3_abc_abcd_12e_d_4e:In-Li-O-Sc-Si,40.0,"Invalid WP multiplicities - A3B4C24DE8_mP40_3_abc_abcd_24e_d_8e:In-Li-O-Sc-Si, expected Li4ScIn3(SiO3)16 to be Li4ScIn3(SiO3)8" +mp-554882,DyCuTe2ClO6,-6.2292504275,-2.0000436798,0.0,-0.0021656559,GGA,P2_1/c,ABCD6E2_mP44_14_e_e_e_6e_2e:Cl-Cu-Dy-O-Te,44.0,"Invalid WP multiplicities - ABCD6E2_mP44_14_e_e_e_24e_4e:Cl-Cu-Dy-O-Te, expected DyCuTe4ClO24 to be DyCuTe2ClO6" +mp-1214767,Ba2GdCu2(HgO4)2,-6.3243763447,-1.904819286,0.0970126453,0.0970126453,GGA,I4/mmm,A2B2CD2E8_tI30_139_e_e_a_e_2eg:Ba-Cu-Gd-Hg-O,15.0,A2B2CD2E8_tI30_139_e_e_a_e_2eg:Ba-Cu-Gd-Hg-O +mp-1214867,Ba2GdCu2HgO7,-6.7755473892,-2.0799330197,0.1049611999999999,0.1049611999999999,GGA,P4/mmm,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Gd-Hg-O,13.0,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Gd-Hg-O +mp-779287,La2HgO4,-7.2913264114,-3.0109764943,0.0,-0.0607034523,GGA,C2/m,AB2C4_mC28_12_i_2i_4i:Hg-La-O,14.0,"Invalid WP multiplicities - AB2C4_mC28_12_i_3i_7i:Hg-La-O, expected La3HgO7 to be La2HgO4" +mp-1214663,Ba2LaCu2HgO7,-6.0689469677,-2.0764183778,0.1034289394,0.1034289394,GGA,P4/mmm,A2B2CDE7_tP13_123_g_h_c_b_ahi:Ba-Cu-Hg-La-O,13.0,A2B2CDE7_tP13_123_g_h_c_b_ahi:Ba-Cu-Hg-La-O +mp-1520485,BaSrHfZrO6,-8.88036971,-3.7010206779,0.0258031085,0.0258031085,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Hf-O-Sr-Zr +mp-1206155,NdCu2SeO2,-5.06079379,-0.6681521779,1.2011881601,1.2011881601,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Cu-Nd-O-Se,6.0,A2BC2D_tP6_123_g_a_g_b:Cu-Nd-O-Se +mp-572807,NdCu3Se2ClO8,-5.9633408757,-1.5980317591,0.0,-0.0014377754,GGA,Pmmn,AB3CD8E2_oP30_59_b_ac_a_2eg_e:Cl-Cu-Nd-O-Se,30.0,"Invalid WP multiplicities - AB3CD8E2_oP30_59_b_2a3c_a_6e4g_e:Cl-Cu-Nd-O-Se, expected NdCu8Se2ClO28 to be NdCu3Se2ClO8" +mp-1219903,PrCoSbPbO6,-7.0503451465,-2.1092447338,0.1163665337,0.1163665337,GGA+U,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Co-O-Pb-Pr-Sb,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Co-O-Pb-Pr-Sb +mp-1210509,Pr12Co6Pb,-5.5922695074,-0.1326156705,0.0,-0.0205050483,GGA,Im-3,A6BC12_cI38_204_e_a_g:Co-Pb-Pr,19.0,A6BC12_cI38_204_e_a_g:Co-Pb-Pr +mp-569153,PrCoSb3,-5.5420202158,-0.6867747618000001,0.0099249757,0.0099249757,GGA,Pbcm,ABC3_oP40_57_e_cd_2c2de:Co-Pr-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_e_3c3d_8c7d5e:Co-Pr-Sb, expected Pr6Co2Sb25 to be PrCoSb3" +mp-1078839,PrCoSb2,-5.7638490413,-0.7270425338000001,0.0423545837,0.0423545837,GGA,P4/nmm,ABC2_tP8_129_a_c_bc:Co-Pr-Sb,8.0,ABC2_tP8_129_a_c_bc:Co-Pr-Sb +mp-1209631,Pr5CoSb2,-5.6203630281,-0.7115068969,0.0,-0.0056892314,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Co-Pr-Sb,32.0,AB5C2_oP32_62_c_3cd_d:Co-Pr-Sb +mp-1516618,NaCaCeBiO6,-6.8450377715,-2.5668541989,0.0706564065,0.0706564065,GGA,Pnnn,ABCDE6_oP40_48_e_ab_f_cd_3m:Bi-Ca-Ce-Na-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_ab_f_2c2d_6m:Bi-Ca-Ce-Na-O, expected Na2CaCeBiO12 to be NaCaCeBiO6" +mp-1516633,NaCaCeBiO6,-6.8246897425,-2.5465061699,0.0910044355,0.0910044355,GGA,P-4n2,ABCDE6_tP20_118_a_c_b_d_ei:Bi-Ca-Ce-Na-O,20.0,ABCDE6_tP20_118_a_c_b_d_ei:Bi-Ca-Ce-Na-O +mp-1516713,NaCaCeBiO6,-6.730004305,-2.4518207324,0.185689873,0.185689873,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Ce-Na-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Ce-Na-O +mp-1518655,SrEuCrInO6,-7.835616112,-2.4324802399,0.1932689244,0.1932689244,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-In-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Cr-Eu-In-O-Sr +mp-1517471,Eu2CrInO6,-8.748316788,-2.4884300813,0.2086583707,0.2086583707,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Cr-Eu-In-O,10.0,AB2CD6_cF40_225_a_c_b_e:Cr-Eu-In-O +mp-1180423,MgTe(ClO)6,-3.9184867979,-0.6674197857,0.3906750527,0.3906750527,GGA,P-1,A6BC6D_aP14_2_3i_a_3i_c:Cl-Mg-O-Te,14.0,"Invalid WP multiplicities - A6BC6D_aP14_2_6i_a_6i_c:Cl-Mg-O-Te, expected MgTe(ClO)12 to be MgTe(ClO)6" +mp-726716,MgTe(ClO)6,-3.7616626386,-0.5105956264,0.5474992120000001,0.5474992120000001,GGA,P-1,A6BC6D_aP14_2_3i_a_3i_c:Cl-Mg-O-Te,14.0,"Invalid WP multiplicities - A6BC6D_aP14_2_6i_a_6i_c:Cl-Mg-O-Te, expected MgTe(ClO)12 to be MgTe(ClO)6" +mp-1104737,MgTe(ClO)6,-3.4644172821,-0.2133502699,0.8447445684,0.8447445684,GGA,R-3,A6BC6D_hR42_148_f_a_f_b:Cl-Mg-O-Te,14.0,A6BC6D_hR42_148_f_a_f_b:Cl-Mg-O-Te +mp-1233220,MgNb2Te4Cl10O,-4.6557470761,-1.4441821309,0.1060201011,0.1060201011,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1233289,MgNb2Te4Cl10O,-4.6510174017,-1.4394524564,0.1107497756,0.1107497756,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1233675,MgNb2Te4Cl10O,-4.6473382433,-1.4357732981,0.1144289339,0.1144289339,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1233782,MgNb2Te4Cl10O,-4.6759812511,-1.4644163059,0.0857859261,0.0857859261,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1234061,MgNb2Te4Cl10O,-4.670742875,-1.4591779297,0.0910243022,0.0910243022,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1234919,MgNb2Te4Cl10O,-4.6523272428,-1.4407622975,0.1094399344,0.1094399344,GGA,P1,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te,18.0,A10BC2DE4_aP18_1_10a_a_2a_a_4a:Cl-Mg-Nb-O-Te +mp-1212325,MgTe3(ClO)6,-3.758049225,-0.5204523527,0.9482361744,0.9482361744,GGA,P-1,A6BC6D3_aP16_2_3i_a_3i_bde:Cl-Mg-O-Te,16.0,A6BC6D3_aP16_2_3i_a_3i_bde:Cl-Mg-O-Te +mp-1236964,MgTe3(ClO)6,-3.6288289156,-0.3912320433,1.0774564838,1.0774564838,GGA,P-1,A6BC6D3_aP16_2_3i_a_3i_bde:Cl-Mg-O-Te,16.0,A6BC6D3_aP16_2_3i_a_3i_bde:Cl-Mg-O-Te +mp-1522224,BaSrLaBiO6,-6.9996643585000005,-2.7931546689,0.0101085805,0.0101085805,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Bi-La-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Bi-La-O-Sr, expected BaSrLaBiO12 to be BaSrLaBiO6" +mp-1520775,BaSrLaBiO6,-6.97791689,-2.7714072004,0.031856049,0.031856049,GGA,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ba-Bi-La-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_9a_a:Ba-Bi-La-O-Sr, expected BaSrLaBiO9 to be BaSrLaBiO6" +mp-1522424,BaSrLaBiO6,-6.9850100145,-2.7785003249,0.0247629245,0.0247629245,GGA,P222,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Bi-La-O-Sr,40.0,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Bi-La-O-Sr +mp-1520716,BaSrLaBiO6,-6.9262435063000005,-2.7197338167,0.0835294327,0.0835294327,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-La-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-La-O-Sr, expected BaSrLa2BiO12 to be BaSrLaBiO6" +mp-1520778,BaSrLaBiO6,-6.911138546,-2.7046288564000003,0.098634393,0.098634393,GGA,I-4,ABCD6E_tI20_82_c_a_d_eg_b:Ba-Bi-La-O-Sr,10.0,ABCD6E_tI20_82_c_a_d_eg_b:Ba-Bi-La-O-Sr +mp-1520966,BaSrLaBiO6,-6.8876429285,-2.6811332389,0.1221300105,0.1221300105,GGA,P-4n2,ABCD6E_tP20_118_c_a_d_ei_b:Ba-Bi-La-O-Sr,20.0,ABCD6E_tP20_118_c_a_d_ei_b:Ba-Bi-La-O-Sr +mp-40802,BaSrLaBiO6,-6.700350302,-2.4938406124,0.309422637,0.309422637,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-La-O-Sr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-La-O-Sr +mp-1227371,BaSrLaBiO6,-6.921837554,-2.7153278644,0.087935385,0.087935385,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-La-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-La-O-Sr +mp-1078409,Ba2LaBiO6,-7.023347214,-2.7938893758,0.0,-0.0848226774,GGA,C2/m,A2BCD6_mC20_12_i_a_d_ij:Ba-Bi-La-O,10.0,A2BCD6_mC20_12_i_a_d_ij:Ba-Bi-La-O +mp-1520526,Ba2LaBiO6,-7.0097969417,-2.7803391035,0.0135502723,-0.0712724051,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-La-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-La-O +mp-1520455,Ba2LaBiO6,-6.995150351,-2.7656925127000003,0.028196863,-0.0566258144,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-La-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-La-O +mp-1522899,BaNaPrBiO6,-6.4487174875,-2.2944147489,0.0977204589,0.0977204589,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-Na-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-Na-O-Pr, expected BaNa2PrBiO12 to be BaNaPrBiO6" +mp-1522783,BaNaPrBiO6,-6.414769924,-2.2604671854,0.1316680224,0.1316680224,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Pr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-Pr +mp-1204299,Na2GdMnAs2O9,-7.646267944,-2.3314930553,0.0012968047,0.0012968047,GGA+U,P2_1/c,A2BCD2E9_mP60_14_2e_e_ab_2e_9e:As-Gd-Mn-Na-O,60.0,A2BCD2E9_mP60_14_2e_e_ab_2e_9e:As-Gd-Mn-Na-O +mp-1210122,NaMn4(AsO4)3,-7.537054943,-1.9716446324,0.0,-0.0135391731,GGA+U,C2/c,A3B4CD12_mC80_15_ef_aef_e_6f:As-Mn-Na-O,40.0,A3B4CD12_mC80_15_ef_aef_e_6f:As-Mn-Na-O +mp-17876,NaMnAsO4,-7.0171845596,-2.0271254403,0.0,-0.0321109045,GGA+U,Pnma,ABCD4_oP28_62_c_c_a_2cd:As-Mn-Na-O,28.0,ABCD4_oP28_62_c_c_a_2cd:As-Mn-Na-O +mp-20612,NaMnAs,-5.3253925333,-0.2775062032,0.0267943265,0.0267943265,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Mn-Na,6.0,ABC_tP6_129_c_a_c:As-Mn-Na +mp-17129,Sr3(AlN2)2,-6.2647512553,-1.1641277308,0.0,-0.0257873081,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Al-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Al-N-Sr +mp-866314,Ca5Al2(SiN4)2,-6.9743328506,-1.3824654082,0.0,-0.0052343938,GGA,Pbcn,A2B5C8D2_oP68_60_d_c2d_4d_d:Al-Ca-N-Si,68.0,A2B5C8D2_oP68_60_d_c2d_4d_d:Al-Ca-N-Si +mp-1227210,Ca6Al3(Si4N9)2,-7.5495536006,-1.3572741817,0.0680407295,0.0680407295,GGA,P1,A3B6C18D8_aP35_1_3a_6a_18a_8a:Al-Ca-N-Si,35.0,A3B6C18D8_aP35_1_3a_6a_18a_8a:Al-Ca-N-Si +mp-1218409,SrCaAl2(SiN3)2,-7.455058965,-1.4504047481,0.0,-0.0012934565,GGA,P1,A2BC6D2E_aP12_1_2a_a_6a_2a_a:Al-Ca-N-Si-Sr,12.0,A2BC6D2E_aP12_1_2a_a_6a_2a_a:Al-Ca-N-Si-Sr +mp-570577,SrAlSi4N7,-7.9342730384,-1.3579802785,0.0311724484,0.0311724484,GGA,Pna2_1,AB7C4D_oP104_33_2a_14a_8a_2a:Al-N-Si-Sr,104.0,"Invalid WP multiplicities - AB7C4D_oP104_33_5a_55a_29a_4a:Al-N-Si-Sr, expected Sr4Al5Si29N55 to be SrAlSi4N7" +mp-1029733,Sr3Al3N5,-6.5137492855,-1.2421417877,0.0,-0.0016014616,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Al-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Al-N-Sr +mp-705871,Ca7Al3Si10N21,-7.5404743155,-1.3308279649,0.1019058498,0.1019058498,GGA,P1,A3B7C21D10_aP82_1_6a_14a_42a_20a:Al-Ca-N-Si,82.0,A3B7C21D10_aP82_1_6a_14a_42a_20a:Al-Ca-N-Si +mp-695592,Ca10Al6Si13N30,-7.5549184886,-1.3997755069,0.042971862,0.042971862,GGA,P1,A6B10C30D13_aP59_1_6a_10a_30a_13a:Al-Ca-N-Si,59.0,A6B10C30D13_aP59_1_6a_10a_30a_13a:Al-Ca-N-Si +mp-1218396,SrAlSiN3,-7.4027717292,-1.4244597144,0.0082068483,0.0082068483,GGA,P2_1,AB3CD_mP12_4_a_3a_a_a:Al-N-Si-Sr,12.0,"Invalid WP multiplicities - AB3CD_mP12_4_a_5a_a_a:Al-N-Si-Sr, expected SrAlSiN5 to be SrAlSiN3" +mp-1246311,Sr3AlN3,-5.7829385929,-0.9510041693,0.040797378,0.040797378,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Al-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Al-N-Sr +mp-1518514,SrCaDyMnO6,-7.496330121,-2.7819273477,0.143124718,0.143124718,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Mn-O-Sr +mp-583454,Nb2Bi2PbO9,-7.8150152146,-2.3781270853,0.0019501256,0.0019501256,GGA,Cmc2_1,A2B2C9D_oC56_36_b_b_a4b_a:Bi-Nb-O-Pb,28.0,"Invalid WP multiplicities - A2B2C9D_oC56_36_b_b_2a16b_a:Bi-Nb-O-Pb, expected Nb2Bi2PbO34 to be Nb2Bi2PbO9" +mp-23101,Nb2Bi2PbO9,-7.7764645579,-2.3395764285,0.0405007824,0.0405007824,GGA,I4/mmm,A2B2C9D_tI28_139_e_e_adeg_b:Bi-Nb-O-Pb,14.0,"Invalid WP multiplicities - A2B2C9D_tI28_139_e_e_a2deg_b:Bi-Nb-O-Pb, expected Nb2Bi2PbO11 to be Nb2Bi2PbO9" +mp-1228636,BaNb4Bi4PbO18,-7.8760954593,-2.5032670488,0.0163154102,0.0163154102,GGA,Amm2,AB4C4D18E_oC56_38_a_de_de_abde3f_b:Ba-Bi-Nb-O-Pb,28.0,"Invalid WP multiplicities - AB4C4D18E_oC56_38_a_2de_2de_ab2de3f_b:Ba-Bi-Nb-O-Pb, expected BaNb6Bi6PbO20 to be BaNb4Bi4PbO18" +mp-1228615,BaNb6Bi6Pb2O27,-7.8275713164,-2.4333896663,0.0396910433,0.0396910433,GGA,I4/mmm,AB6C6D27E2_tI84_139_a_3e_3e_bd4e4g_e:Ba-Bi-Nb-O-Pb,42.0,"Invalid WP multiplicities - AB6C6D27E2_tI84_139_a_6e_6e_b2d8e14g_e:Ba-Bi-Nb-O-Pb, expected BaNb12Bi12Pb2O77 to be BaNb6Bi6Pb2O27" +mp-1518013,BaCrSnBiO6,-7.048531509,-2.1383099427,0.1632208335,0.1632208335,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Bi-Cr-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Bi-Cr-O-Sn +mp-1222314,LuFeCu,-5.8214327933,-0.12470666,0.1099655267,0.1099655267,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Lu,6.0,ABC_oI12_74_a_c_e:Cu-Fe-Lu +mp-611378,BaLuFeCuO5,-7.3509252956,-2.4906367515,0.0172982876,0.0172982876,GGA+U,P4mm,ABCDE5_tP9_99_b_a_a_b_a2c:Ba-Cu-Fe-Lu-O,9.0,"Invalid WP multiplicities - ABCDE5_tP9_99_b_a_a_b_a4c:Ba-Cu-Fe-Lu-O, expected BaLuFeCuO9 to be BaLuFeCuO5" +mp-1103986,BaLuFe4O7,-7.9651601054,-2.2000192378,0.0734546303,0.0734546303,GGA+U,I-4,AB4CD7_tI26_82_a_g_c_bfg:Ba-Fe-Lu-O,13.0,AB4CD7_tI26_82_a_g_c_bfg:Ba-Fe-Lu-O +mp-1214329,BaLuFe4O7,-7.8525049238,-2.0873640562,0.1861098118,0.1861098118,GGA+U,F-43m,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-Lu-O,13.0,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-Lu-O +mp-1222330,LuFeCuO4,-7.5193998114,-2.2512664907,0.101391124,0.101391124,GGA+U,R3m,ABCD4_hR21_160_a_a_a_4a:Cu-Fe-Lu-O,7.0,ABCD4_hR21_160_a_a_a_4a:Cu-Fe-Lu-O +mp-1188625,LuFe4(CuO4)3,-7.135755694,-1.6328096987,0.0604269242,0.0604269242,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Lu-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Lu-O +mp-677246,Ba6Ti2Nb10Si8O51,-8.7839336481,-3.2774199781,0.0,-0.0001904439,GGA,P1,A6B10C51D8E2_aP77_1_6a_10a_51a_8a_2a:Ba-Nb-O-Si-Ti,77.0,A6B10C51D8E2_aP77_1_6a_10a_51a_8a_2a:Ba-Nb-O-Si-Ti +mp-1173098,Ba6Ti2Nb10Si8O51,-8.780312285699999,-3.2737986158,0.0036213623,0.0034309185,GGA,Cm,A6B10C51D8E2_mC154_8_6a_5b_5a23b_4b_b:Ba-Nb-O-Si-Ti,77.0,"Invalid WP multiplicities - A6B10C51D8E2_mC154_8_6a_6b_5a40b_6b_b:Ba-Nb-O-Si-Ti, expected Ba6Ti2Nb12Si12O85 to be Ba6Ti2Nb10Si8O51" +mp-1235447,Rb2Ba8Li(Sb3O)2,-4.1576608253,-1.3213884361,0.0764890489,0.0764890489,GGA,P1,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Li-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Li-O-Rb-Sb +mp-1235803,Rb2Ba8Li(Sb3O)2,-4.1612278184,-1.3249554293,0.0729220558,0.0729220558,GGA,P1,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Li-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Li-O-Rb-Sb +mp-1235476,Rb2Ba8Li(Sb3O)2,-4.1293155611,-1.2930431719,0.1048343132,0.1048343132,GGA,Cm,A8BC2D2E6_mC38_8_4a2b_a_2a_b_2a2b:Ba-Li-O-Rb-Sb,19.0,"Invalid WP multiplicities - A8BC2D2E6_mC38_8_4a3b_a_2a_b_2a3b:Ba-Li-O-Rb-Sb, expected Rb2Ba10Li(Sb4O)2 to be Rb2Ba8Li(Sb3O)2" +mp-1235276,Rb2Ba8Li(Sb3O)2,-4.1516342063,-1.3153618171,0.0825156679,0.0825156679,GGA,Fmm2,A8BC2D2E6_oF76_42_2ce_a_c_d_2abd:Ba-Li-O-Rb-Sb,19.0,"Invalid WP multiplicities - A8BC2D2E6_oF76_42_3c2e_a_c_d_2ab2d:Ba-Li-O-Rb-Sb, expected Rb2Ba14Li(Sb4O)2 to be Rb2Ba8Li(Sb3O)2" +mp-1235508,Rb2Li(SbO2)2,-5.24636925,-1.7002861015,0.1402889783,0.1402889783,GGA,P1,AB4C2D2_aP9_1_a_4a_2a_2a:Li-O-Rb-Sb,9.0,AB4C2D2_aP9_1_a_4a_2a_2a:Li-O-Rb-Sb +mp-1235800,Rb2Li(SbO2)2,-5.1573911256,-1.611307977,0.2292671028,0.2292671028,GGA,C2,AB4C2D2_mC18_5_a_2c_ab_ab:Li-O-Rb-Sb,9.0,AB4C2D2_mC18_5_a_2c_ab_ab:Li-O-Rb-Sb +mp-1521050,SrEuHfFeO6,-9.037941414,-3.0325576379,0.0975562764,0.0975562764,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Fe-Hf-O-Sr +mp-1307357,Sr2LaMnCoO7,-7.5701019337,-2.6357562606,0.1839036921,0.1839036921,GGA+U,Cm,ABCD7E2_mC48_8_2a_2a_2a_14a_4a:Co-La-Mn-O-Sr,24.0,ABCD7E2_tI24_107_a_a_a_3a2b_2a:Co-La-Mn-O-Sr +mp-1297726,Sr2LaMnCoO7,-7.5766209338,-2.6422752606,0.1773846921,0.1773846921,GGA+U,Aea2,ABCD7E2_oC48_41_a_a_a_3a2b_2a:Co-La-Mn-O-Sr,24.0,ABCD7E2_oC48_41_a_a_a_3a2b_2a:Co-La-Mn-O-Sr +mp-1218748,Sr2LaMnCoO7,-7.5762220071,-2.641876334,0.1777836187,0.1777836187,GGA+U,I4mm,ABCD7E2_tI24_107_a_a_a_3a2b_2a:Co-La-Mn-O-Sr,24.0,ABCD7E2_tI24_107_a_a_a_3a2b_2a:Co-La-Mn-O-Sr +mp-40761,SrLaMnCoO6,-7.744445824,-2.4868492327,0.2536011551,0.2536011551,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Co-La-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Co-La-Mn-O-Sr +mp-1522791,SrCaMnNbO6,-8.17857551,-2.9147209167,0.0946598394,0.0946598394,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Mn-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Mn-Nb-O-Sr +mp-1234484,Ba3CaTi3O8,-7.555314364,-2.8204803347,0.3977846428,0.3977846428,GGA,P-1,A3BC8D3_aP15_2_ci_b_ad3i_gi:Ba-Ca-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_aP15_2_ci_b_ad6i_gi:Ba-Ca-O-Ti, expected Ba3CaTi3O14 to be Ba3CaTi3O8" +mp-1234083,Ba3CaTi3O8,-7.76583244,-3.0309984107,0.1872665668,0.1872665668,GGA,Cm,A3BC8D3_mC30_8_3a_a_2a3b_3a:Ba-Ca-O-Ti,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_8_3a_a_2a6b_3a:Ba-Ca-O-Ti, expected Ba3CaTi3O14 to be Ba3CaTi3O8" +mp-1046986,BaCaTi4O8,-8.5261398579,-3.1632789595,0.1855513398,0.1855513398,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Ti,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-Ti +mp-1228440,Ba2Sr2CaTi5O15,-8.4232465352,-3.5072334385,0.0225418519,0.0225418519,GGA,Pm,A2BC15D2E5_mP25_6_2a_a_5a10b_2a_5b:Ba-Ca-O-Sr-Ti,25.0,A2BC15D2E5_mP25_6_2a_a_5a10b_2a_5b:Ba-Ca-O-Sr-Ti +mp-1228091,Ba4CaTi5O15,-8.4121194556,-3.4777478399,0.0280225579,0.0280225579,GGA,P4/mmm,A4BC15D5_tP25_123_2h_c_ae2g2i_b2g:Ba-Ca-O-Ti,25.0,"Invalid WP multiplicities - A4BC15D5_tP25_123_3h_c_a2e3g7i_b4g:Ba-Ca-O-Ti, expected Ba6CaTi9O39 to be Ba4CaTi5O15" +mp-1523145,BaCaTi4O12,-8.2234139678,-2.9530357777000003,0.1945179281,0.1945179281,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Ca-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Ca-O-Ti, expected BaCaTi4O16 to be BaCaTi4O12" +mp-1199036,NdTiCrO5,-9.1283869675,-3.2471206581,0.0582762997,0.0582762997,GGA+U,Pbam,ABC5D_oP32_55_g_h_eghi_f:Cr-Nd-O-Ti,32.0,ABC5D_oP32_55_g_h_eghi_f:Cr-Nd-O-Ti +mp-743698,Ca5Dy3Ti5Mn3O24,-8.5890582125,-3.3507483388,0.0199813843,0.0199813843,GGA+U,P1,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Dy-Mn-O-Ti,40.0,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Dy-Mn-O-Ti +mp-1215307,ZrAlMo,-8.056590555,-0.3436150317,0.0129981031,0.0129981031,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Mo-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Mo-Zr, expected Zr3(AlMo)2 to be ZrAlMo" +mp-1215310,ZrAlMo4,-9.2283785242,0.0509342925,0.2698086762,0.2698086762,GGA,P-3m1,AB4C_hP12_164_d_abi_d:Al-Mo-Zr,12.0,AB4C_hP12_164_d_abi_d:Al-Mo-Zr +mp-1215336,ZrAl6Mo,-5.61400428,-0.380653565,0.0281589873,0.0281589873,GGA,P4/mmm,A6BC_tP8_123_adi_b_c:Al-Mo-Zr,8.0,A6BC_tP8_123_adi_b_c:Al-Mo-Zr +mp-1227000,Cs2ZrAl2(MoO4)6,-8.1688105417,-2.4081223485,0.0039346686,0.0039346686,GGA+U,P-1,A2B2C6D24E_aP35_2_cd_i_3i_12i_b:Al-Cs-Mo-O-Zr,35.0,"Invalid WP multiplicities - A2B2C6D24E_aP35_2_cd_i_6i_24i_b:Al-Cs-Mo-O-Zr, expected Cs2ZrAl2(MoO4)12 to be Cs2ZrAl2(MoO4)6" +mp-1197180,Cs8Zr(MoO4)6,-7.4190849308,-2.3035631529,0.0,-0.0056054117,GGA+U,C2/m,A8B6C24D_mC78_12_hij_ij_2i5j_a:Cs-Mo-O-Zr,39.0,A8B6C24D_mC78_12_hij_ij_2i5j_a:Cs-Mo-O-Zr +mp-1218209,SrMnFeBiO6,-7.348693431,-2.0644782957,0.0283798928,0.0283798928,GGA+U,R3,ABCD6E_hR30_146_a_a_a_2b_a:Bi-Fe-Mn-O-Sr,10.0,ABCD6E_hR30_146_a_a_a_2b_a:Bi-Fe-Mn-O-Sr +mp-849772,LiTi3Nb(CuO4)3,-7.8711779735,-2.5034485484,0.080769848,0.080769848,GGA,P1,A3BCD12E3_aP20_1_3a_a_a_12a_3a:Cu-Li-Nb-O-Ti,20.0,A3BCD12E3_aP20_1_3a_a_a_12a_3a:Cu-Li-Nb-O-Ti +mp-752651,Li4Ti2Nb3Cu3O16,-7.693073885,-2.5082442418,0.0972662531,0.0972662531,GGA,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Nb-O-Ti, expected Li4Ti2Nb3Cu3O20 to be Li4Ti2Nb3Cu3O16" +mp-756799,Ti2Nb2(CuO4)3,-8.11699472,-2.4511274222,0.0710463899,0.0710463899,GGA,C2/m,A3B2C12D2_mC38_12_abc_f_2i2j_e:Cu-Nb-O-Ti,19.0,"Invalid WP multiplicities - A3B2C12D2_mC38_12_abc_e_3i4j_f:Cu-Nb-O-Ti, expected Ti2Nb2Cu3O22 to be Ti2Nb2(CuO4)3" +mp-757045,Ti3Nb(CuO4)3,-8.0080366263,-2.4582647508,0.0682473948,0.0682473948,GGA,R-3,A3BC12D3_hR57_148_d_a_2f_e:Cu-Nb-O-Ti,19.0,"Invalid WP multiplicities - A3BC12D3_hR57_148_d_a_9f_e:Cu-Nb-O-Ti, expected Ti3Nb(CuO18)3 to be Ti3Nb(CuO4)3" +mp-938535,LiTi2NbCu2O9,-5.9193150102,-0.5513267648,2.0680097018,2.0680097018,GGA,P1,A2BCD9E2_aP60_1_8a_4a_4a_36a_8a:Cu-Li-Nb-O-Ti,60.0,A2BCD9E2_aP60_1_8a_4a_4a_36a_8a:Cu-Li-Nb-O-Ti +mp-754346,SrLiLa3MnO8,-7.9998296007,-3.2039751281,0.0253818983,0.0253818983,GGA+U,Amm2,A3BCD8E_oC28_38_a2b_b_a_2a2bf_a:La-Li-Mn-O-Sr,14.0,A3BCD8E_oC28_38_a2b_b_a_2a2bf_a:La-Li-Mn-O-Sr +mp-753433,SrLiLa3MnO8,-8.0058399336,-3.2099854609,0.0193715654,0.0193715654,GGA+U,Cmcm,A3BCD8E_oC56_63_cf_a_c_2cfh_c:La-Li-Mn-O-Sr,56.0,A3BCD8E_oC56_63_cf_a_c_2cfh_c:La-Li-Mn-O-Sr +mp-1217109,Ti4Al11Zn,-5.0094704844,-0.3817801215,0.0138860581,0.0138860581,GGA,P4mm,A11B4C_tP16_99_a2b4c_2a2b_a:Al-Ti-Zn,16.0,"Invalid WP multiplicities - A11B4C_tP16_99_a2b7c_2a2b_a:Al-Ti-Zn, expected Ti4Al17Zn to be Ti4Al11Zn" +mp-1217913,TaTiAlO6,-9.3027511017,-3.3939757968,0.0421486556,0.0421486556,GGA,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Al-O-Ta-Ti,18.0,"Invalid WP multiplicities - AB6CD_tP18_102_a_11c_a_a:Al-O-Ta-Ti, expected TaTiAlO22 to be TaTiAlO6" +mp-1045921,Ta2TiZn2O8,-8.4103787331,-2.7408368726,0.1432653014,0.1432653014,GGA,C2/c,A8B2CD2_mC52_15_4f_f_e_f:O-Ta-Ti-Zn,26.0,"Invalid WP multiplicities - A8B2CD2_mC52_15_5f_f_e_f:O-Ta-Ti-Zn, expected Ta2TiZn2O10 to be Ta2TiZn2O8" +mp-999072,Ti2AlZn,-5.2134200025,-0.0143441342,0.285593795,0.285593795,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-Ti-Zn,4.0,AB2C_cF16_216_a_bc_d:Al-Ti-Zn +mp-1217009,TiAl2Zn,-4.54942816,-0.3878313383,0.0,-0.0534199356,GGA,P4/mmm,A2BC_tP4_123_e_a_c:Al-Ti-Zn,4.0,A2BC_tP4_123_e_a_c:Al-Ti-Zn +mp-1366740,TaTiZn2O6,-7.795007949,-2.5997190356,0.1633707462,0.1633707462,GGA,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Ta-Ti-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e7f_a_c_3e:O-Ta-Ti-Zn, expected TaTiZn3O18 to be TaTiZn2O6" +mp-695545,TaTi9Al3Zn23O48,-6.8018342137,-2.5093449942,0.052964613,0.052964613,GGA,P1,A3B48CD9E23_aP84_1_3a_48a_a_9a_23a:Al-O-Ta-Ti-Zn,84.0,A3B48CD9E23_aP84_1_3a_48a_a_9a_23a:Al-O-Ta-Ti-Zn +mp-686614,TaTi9Al3Zn23O48,-6.8005686942,-2.5080794746,0.0542301326,0.0542301326,GGA,P1,A3B48CD9E23_aP84_1_3a_48a_a_9a_23a:Al-O-Ta-Ti-Zn,84.0,A3B48CD9E23_aP84_1_3a_48a_a_9a_23a:Al-O-Ta-Ti-Zn +mp-1217995,TaAlZn,-5.8647971383,-0.2437647817,0.0,-0.0467558978,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Al-Ta-Zn,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Al-Ta-Zn, expected Ta3(AlZn)2 to be TaAlZn" +mp-1047859,BaMgCrF7,-6.298489366,-3.6432238427,0.0101344658,0.0101344658,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Cr-F-Mg,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Cr-F-Mg, expected BaMgCrF23 to be BaMgCrF7" +mp-1045870,Ba2MgCr2CuF14,-6.100054696,-3.3198428417,0.0310443908,0.0310443908,GGA+U,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ba-Cr-Cu-F-Mg,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ba-Cr-Cu-F-Mg, expected Ba2MgCr2CuF48 to be Ba2MgCr2CuF14" +mp-8416,BaCaGaF7,-5.7699465615,-3.7366442,0.0,-0.0036130778,GGA,P2/c,ABC7D_mP40_13_g_ef_7g_g:Ba-Ca-F-Ga,40.0,ABC7D_mP40_13_g_ef_7g_g:Ba-Ca-F-Ga +mp-1214730,Ba2CaGa2CuF14,-5.5182993948,-3.3803166938,0.0,-0.0019693858,GGA,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Ga,40.0,A2BCD14E2_mC80_15_f_e_c_7f_f:Ba-Ca-Cu-F-Ga +mp-1078150,Pd(Br2N)2,-3.0138684014,0.9954151671,1.31715093,1.31715093,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Br-N-Pd,7.0,A4B2C_tP7_123_j_e_a:Br-N-Pd +mp-1203543,CrPdBr4N5Cl,-5.22771575,0.1536220737,0.8029540756,0.8029540756,GGA,Pnma,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Cr-N-Pd,48.0,A4BCD5E_oP48_62_2cd_c_c_c2d_c:Br-Cl-Cr-N-Pd +mp-10373,Cr3PdN,-8.743892106,-0.248788277,0.0747290027,0.0747290027,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cr-N-Pd,5.0,A3BC_cP5_221_c_b_a:Cr-N-Pd +mp-1205982,Pd(Br3N)2,-2.3027944689,1.1606546022,1.4108935289,1.4108935289,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Pd,9.0,A6B2C_cF36_225_e_c_a:Br-N-Pd +mp-738386,CrN5Cl3,-5.9122481508,0.4078776353,1.1164063969,1.1164063969,GGA,Pnma,A3BC5_oP36_62_cd_c_3cd:Cl-Cr-N,36.0,A3BC5_oP36_62_cd_c_3cd:Cl-Cr-N +mp-1235947,Ba2LiTbIrO6,-6.9856531473,-2.5402163023,0.1439012492,0.1439012492,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Ir-Li-O-Tb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_e2l_b:Ba-Ir-Li-O-Tb, expected Ba2LiTbIrO10 to be Ba2LiTbIrO6" +mp-1236116,Ba2LiTbIrO6,-6.9868914818,-2.5414546369,0.1426629147,0.1426629147,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ir-Li-O-Tb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Ir-Li-O-Tb, expected Ba2LiTbIrO15 to be Ba2LiTbIrO6" +mp-1236502,Ba2LiTbIrO6,-6.9291355291,-2.4836986842,0.2004188674,0.2004188674,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ir-Li-O-Tb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Ir-Li-O-Tb, expected Ba2LiTbIrO12 to be Ba2LiTbIrO6" +mp-867285,LiTb2Ir,-5.5611725975,-0.5571502858,0.0,-0.0169496726,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Li-Tb,4.0,ABC2_cF16_225_a_b_c:Ir-Li-Tb +mp-1521516,BaSrEuSeO6,-7.1681686557,-2.4640172619,0.1746408836,0.1746408836,GGA,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Se-Sr,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Se-Sr +mp-1521371,BaSrEuSeO6,-7.149158411,-2.4450070172,0.1936511283,0.1936511283,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Se-Sr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Se-Sr +mp-1080144,Sm(NiSn)2,-5.37836797,-0.518767329,0.5370515913,0.5370515913,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Ni-Sm-Sn,10.0,A2BC2_tP10_129_ac_c_bc:Ni-Sm-Sn +mp-571561,Sm(NiSn)2,-5.323433932,-0.463833291,0.5919856293,0.5919856293,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Ni-Sm-Sn,5.0,A2BC2_tI10_139_d_a_e:Ni-Sm-Sn +mp-1104463,SmNiSn,-5.4806082708,-0.6445100475000001,0.490042764,0.490042764,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-Sm-Sn,12.0,ABC_oP12_62_c_c_c:Ni-Sm-Sn +mp-1205849,SmNiSn,-5.4797976767,-0.6436994533,0.4908533582,0.4908533582,GGA,P-62m,ABC_hP9_189_ad_f_g:Ni-Sm-Sn,9.0,ABC_hP9_189_ad_f_g:Ni-Sm-Sn +mp-1219309,Sm2NiSn4,-5.0682873571,-0.6032021614,0.1666761115,0.1666761115,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Ni-Sm-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Ni-Sm-Sn +mp-645182,Sm2NiSn4,-5.0806614243,-0.6155762286,0.1543020444,0.1543020444,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Ni-Sm-Sn,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_15c:Ni-Sm-Sn, expected Sm5NiSn15 to be Sm2NiSn4" +mp-1209076,Sm3(Ni3Sn2)2,-5.37560569,-0.3852313896,0.8330212107,0.8330212107,GGA,P6_3mc,A6B3C4_hP26_186_2c_c_bc:Ni-Sm-Sn,26.0,A6B3C4_hP26_186_2c_c_bc:Ni-Sm-Sn +mp-1104730,Sm(Ni2Sn)2,-5.5341801057,-0.4115691679,0.7479326446,0.7479326446,GGA,I4/mcm,A4BC2_tI28_140_l_a_h:Ni-Sm-Sn,14.0,A4BC2_tI28_140_l_a_h:Ni-Sm-Sn +mp-1219586,Sm9Ni24Sn49,-4.9558181893,-0.3502135987,0.3549313184,0.3549313184,GGA,C2/m,A24B9C49_mC164_12_4i4j_aefj_d8i8j:Ni-Sm-Sn,82.0,"Invalid WP multiplicities - A24B9C49_mC164_12_6i11j_a2e2f2j_d12i22j:Ni-Sm-Sn, expected Sm17Ni56Sn113 to be Sm9Ni24Sn49" +mp-1219134,SmNi3Sn2,-5.4657419989000005,-0.4527186847,0.7135201873,0.7135201873,GGA,P-62m,A3BC2_hP18_189_fk_bc_fg:Ni-Sm-Sn,18.0,A3BC2_hP18_189_fk_bc_fg:Ni-Sm-Sn +mp-1208988,SmNi3Sn2,-5.3579953894,-0.3449720753,0.8212667967,0.8212667967,GGA,P6/mmm,A3BC2_hP18_191_fl_ad_k:Ni-Sm-Sn,18.0,A3BC2_hP18_191_fl_ad_k:Ni-Sm-Sn +mp-1521181,NaLaZrSnO6,-7.784627071,-2.9350333559,0.1644322406,0.1644322406,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sn-Zr +mp-1522051,EuNbCrBiO6,-8.830347024,-2.4771494532,0.1902677758,0.1902677758,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Bi-Cr-Eu-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Bi-Cr-Eu-Nb-O +mp-1521090,BaCaCeSnO6,-7.445217917,-3.0904811072,0.0677062005,0.0677062005,GGA,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Ca-Ce-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Ca-Ce-O-Sn, expected BaCaCeSnO12 to be BaCaCeSnO6" +mp-1521220,BaCaCeSnO6,-7.4482986008,-3.093561791,0.0646255168,0.0646255168,GGA,P222,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Ce-O-Sn,40.0,ABCD6E_oP40_16_abch_defg_u_6u_u:Ba-Ca-Ce-O-Sn +mp-1521263,BaCaCeSnO6,-7.365338026,-3.0106012163,0.1475860915,0.1475860915,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Sn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Sn +mp-1521065,Ba2CeSnO6,-7.4618468225,-3.1157725067,0.0010660575,-0.0259705465,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Sn,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Sn +mp-1521094,Ba2CeSnO6,-7.46291288,-3.1168385643,0.0,-0.027036604,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Sn +mp-1519686,BaCaNdNbO6,-8.1976576345,-3.3502416785,0.081292874,0.081292874,GGA,P-1,ABCDE6_aP20_2_i_i_ah_be_6i:Ba-Ca-Nb-Nd-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_i_ah_be_12i:Ba-Ca-Nb-Nd-O, expected BaCaNdNbO12 to be BaCaNdNbO6" +mp-1519641,BaCaNdNbO6,-8.1999528427,-3.3525368867,0.0789976658,0.0789976658,GGA,P222,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Nb-Nd-O,40.0,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Nb-Nd-O +mp-1519688,BaCaNdNbO6,-8.084633555,-3.237217599,0.1943169535,0.1943169535,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Nb-Nd-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Nb-Nd-O +mp-1184180,CuTeAs,-4.1467127625,-0.1795024397,0.0051502542,0.0051502542,GGA,Pnma,ABC_oP12_62_c_c_c:As-Cu-Te,12.0,ABC_oP12_62_c_c_c:As-Cu-Te +mp-1196322,CaCu10Te4(As2O17)2,-5.7483283015,-1.1748418872,0.206433108,0.206433108,GGA,P-1,A4BC10D34E4_aP53_2_2i_a_5i_17i_2i:As-Ca-Cu-O-Te,53.0,A4BC10D34E4_aP53_2_2i_a_5i_17i_2i:As-Ca-Cu-O-Te +mp-1519573,NaEuSnSbO6,-6.8822304228,-1.9424071772,0.4195163607,0.4195163607,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-Na-O-Sb-Sn,,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-Na-O-Sb-Sn, expected Na2EuSnSbO12 to be NaEuSnSbO6" +mp-1519546,NaEuSnSbO6,-7.19443223,-2.2546089844,0.1073145535,0.1073145535,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Sn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Sn +mp-1193833,Cu2PbSe2(ClO3)2,-5.2296315896,-1.2080862856,0.0,-0.0011506682,GGA,C2/c,A2B2C6DE2_mC52_15_f_ce_3f_e_f:Cl-Cu-O-Pb-Se,26.0,A2B2C6DE2_mC52_15_f_ce_3f_e_f:Cl-Cu-O-Pb-Se +mp-643203,Cu6PbSe2Cl5O8,-4.9048202155,-1.0813700775,0.003093893,0.003093893,GGA,C2/m,A5B6C8DE2_mC88_12_5i_ad3ij_4i2j_i_2i:Cl-Cu-O-Pb-Se,44.0,"Invalid WP multiplicities - A5B6C8DE2_mC88_12_7i_ad5i4j_7i6j_i_2i:Cl-Cu-O-Pb-Se, expected Cu14PbSe2Cl7O19 to be Cu6PbSe2Cl5O8" +mp-1198565,CuPb5Se4(ClO3)4,-5.4034815427,-1.4265392694,0.0,-0.0137753707,GGA,C2/c,A4BC12D5E4_mC104_15_2f_a_6f_e2f_2f:Cl-Cu-O-Pb-Se,52.0,A4BC12D5E4_mC104_15_2f_c_6f_e2f_2f:Cl-Cu-O-Pb-Se +mp-1521089,SrCaZrNbO6,-8.514410683,-3.3119875559,0.1293233113,0.1293233113,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Zr +mp-1517706,NdSm(CoO3)4,-6.946627525,-1.5421681204,0.2421693206,0.2421693206,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Co-Nd-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Co-Nd-O-Sm, expected NdSm(CoO4)4 to be NdSm(CoO3)4" +mp-1188690,Sm2MnCoO6,-8.2750096495,-2.736245887,0.0560744049,0.0560744049,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Co-Mn-O-Sm,20.0,ABC6D2_mP20_14_a_b_3e_e:Co-Mn-O-Sm +mp-555993,CrAg3ClO4,-5.4564778867,-1.0358104439,0.0112236997,0.0112236997,GGA+U,P4/nmm,A3BCD4_tP18_129_cd_c_b_i:Ag-Cl-Cr-O,18.0,"Invalid WP multiplicities - A3BCD4_tP18_129_2c2d_c_b_i:Ag-Cl-Cr-O, expected CrAg6ClO4 to be CrAg3ClO4" +mp-2218476,MgCr3AgO8,-7.4099287838,-1.7971989259,0.2063223842,0.2063223842,GGA+U,Cm,AB3CD8_mC26_8_a_3a_a_4a2b:Ag-Cr-Mg-O,13.0,AB3CD8_mC26_8_a_3a_a_4a2b:Ag-Cr-Mg-O +mp-2230004,MgCr2Ag6(ClO4)2,-5.3973673484,-1.1251413474,0.1874544526,0.1874544526,GGA+U,C2/m,A6B2C2DE8_mC38_12_abei_i_h_c_2j:Ag-Cl-Cr-Mg-O,19.0,"Invalid WP multiplicities - A6B2C2DE8_mC38_12_ab2f2i_i_h_c_5j:Ag-Cl-Cr-Mg-O, expected MgCr2Ag10(ClO10)2 to be MgCr2Ag6(ClO4)2" +mp-2230509,MgCr2Ag6(ClO4)2,-5.4177430758,-1.1455170747,0.1670787253,0.1670787253,GGA+U,P-4m2,A6B2C2DE8_tP19_115_gi_g_ab_c_jk:Ag-Cl-Cr-Mg-O,19.0,"Invalid WP multiplicities - A6B2C2DE8_tP19_115_2g2i_g_ab_c_4j3k:Ag-Cl-Cr-Mg-O, expected MgCr2Ag12(ClO14)2 to be MgCr2Ag6(ClO4)2" +mp-2223069,MgCr2(ClO)4,-5.9223571745,-1.5507865859,0.2551778344,0.2551778344,GGA+U,P1,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O,11.0,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O +mp-2222928,MgCr2(ClO)4,-5.9788078455,-1.6072372568,0.1987271635,0.1987271635,GGA+U,P1,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O,11.0,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O +mp-2240585,MgCr2(ClO)4,-5.9403521191,-1.5687815305,0.2371828899,0.2371828899,GGA+U,P1,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O,11.0,A4B2CD4_aP11_1_4a_2a_a_4a:Cl-Cr-Mg-O +mp-2219033,MgCr2(AgO4)2,-6.4910315685,-1.4029549003,0.2204147652,0.2204147652,GGA+U,C2/m,A2B2CD8_mC26_12_ac_i_b_2ij:Ag-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_bc_i_a_3i2j:Ag-Cr-Mg-O, expected MgCr2(AgO7)2 to be MgCr2(AgO4)2" +mp-2219218,MgCr2(AgO4)2,-6.6227872623,-1.5347105941,0.0886590713,0.0886590713,GGA+U,Amm2,A2B2CD8_oC26_38_c_ab_a_2cde:Ag-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_c_ab_a_4c2d2e:Ag-Cr-Mg-O, expected MgCr2(AgO8)2 to be MgCr2(AgO4)2" +mp-1519593,NaSrSmMnO6,-6.98324536,-2.3259701159,0.1730946381,0.1730946381,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Mn-Na-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Mn-Na-O-Sm-Sr +mp-1218130,SrNdFeRuO6,-7.870181705,-2.4819620147,0.002603629,0.002603629,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Fe-Nd-O-Ru-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_11a_a_a:Fe-Nd-O-Ru-Sr, expected SrNdFeRuO11 to be SrNdFeRuO6" +mp-1218426,Sr3MnRuO7,-7.3401891358,-2.4958792049,0.0117822625,0.0117822625,GGA+U,I4mm,AB7CD3_tI24_107_a_3a2b_a_3a:Mn-O-Ru-Sr,12.0,AB7CD3_tI24_107_a_3a2b_a_3a:Mn-O-Ru-Sr +mp-1218911,Sr10Mn(RuO5)4,-7.1490335606,-2.5179382974,0.0119092523,0.0119092523,GGA+U,I4/mmm,AB20C4D10_tI70_139_a_c5e2g_2e_5e:Mn-O-Ru-Sr,35.0,"Invalid WP multiplicities - AB20C4D10_tI70_139_a_2c9e6g_3e_9e:Mn-O-Ru-Sr, expected Sr18Mn(Ru3O23)2 to be Sr10Mn(RuO5)4" +mp-1218544,SrCaMnRuO6,-7.537587232,-2.3564228887,0.0302153378,0.0302153378,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:Ca-Mn-O-Ru-Sr,20.0,ABC6DE_mP20_4_a_a_6a_a_a:Ca-Mn-O-Ru-Sr +mp-1218769,Sr2MnRuO6,-7.509971226,-2.3604175254,0.0,-0.0104298361,GGA+U,I4/m,AB6CD2_tI20_87_a_eh_b_d:Mn-O-Ru-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Mn-O-Ru-Sr +mp-1218516,Sr4MnRuO8,-7.2391143786,-2.6128357118,0.0,-0.0206342187,GGA+U,Cmmm,AB8CD4_oC28_65_a_ghn_c_gh:Mn-O-Ru-Sr,14.0,"Invalid WP multiplicities - AB8CD4_oC28_65_a_g2hn_c_g2h:Mn-O-Ru-Sr, expected Sr6MnRuO10 to be Sr4MnRuO8" +mp-1218407,Sr4MnRuO8,-7.2233464107,-2.5970677439000003,0.0157679679,-0.0048662509,GGA+U,P4/mmm,AB8CD4_tP14_123_a_efgh_d_gh:Mn-O-Ru-Sr,14.0,"Invalid WP multiplicities - AB8CD4_tP14_123_a_2efg2h_d_g2h:Mn-O-Ru-Sr, expected Sr6MnRuO12 to be Sr4MnRuO8" +mp-642974,SrCrBi12(Mo2O17)2,-7.073337316,-1.9002906408,0.0086627581,0.0086627581,GGA+U,P2/c,A12BC4D34E_mP104_13_6g_e_2g_2f16g_a:Bi-Cr-Mo-O-Sr,104.0,"Invalid WP multiplicities - A12BC4D34E_mP104_13_21g_e_5g_4f61g_a:Bi-Cr-Mo-O-Sr, expected SrCrBi42(Mo5O63)2 to be SrCrBi12(Mo2O17)2" +mp-1519514,NaCaDyFeO6,-6.815411311,-2.2069047619,0.1837150362,0.1837150362,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Dy-Fe-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Dy-Fe-Na-O +mp-2228968,MgFe3Pb4ClO8,-6.3404200112,-1.4414212871,0.2774863018,0.2774863018,GGA+U,Pm,AB3CD8E4_mP17_6_a_bc_a_2b3c_2c:Cl-Fe-Mg-O-Pb,17.0,"Invalid WP multiplicities - AB3CD8E4_mP17_6_a_bc_a_2b6c_4c:Cl-Fe-Mg-O-Pb, expected MgFe3Pb8ClO14 to be MgFe3Pb4ClO8" +mp-2227190,MgFePbO3,-6.131885275,-1.3613828644,0.6405866232,0.6405866232,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Fe-Mg-O-Pb,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_a2e_c:Fe-Mg-O-Pb, expected MgFePbO5 to be MgFePbO3" +mp-2215808,MgFePbO3,-6.3438686667,-1.573366256,0.4286032315,0.4286032315,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Fe-Mg-O-Pb,6.0,ABC3D_hR18_160_a_a_b_a:Fe-Mg-O-Pb +mp-1211118,Na3La(AsO4)2,-6.5135649866000005,-2.3853271662,0.0065035802,0.0065035802,GGA,Pca2_1,A2BC3D8_oP112_29_4a_2a_6a_16a:As-La-Na-O,112.0,A2BC3D8_oP112_29_4a_2a_6a_16a:As-La-Na-O +mp-1210455,Na3La(AsO4)2,-6.4226572079,-2.2944193875,0.0974113589,0.0974113589,GGA,P-3m1,A2BC3D8_hP14_164_d_a_bd_di:As-La-Na-O,14.0,A2BC3D8_hP14_164_d_a_bd_di:As-La-Na-O +mp-1203724,Na3LaMn3(AsO5)3,-7.1980888382,-2.2153962484,0.0,-0.0165557826,GGA+U,P6_3/m,A3BC3D3E15_hP50_176_h_c_g_h_3hi:As-La-Mn-Na-O,50.0,A3BC3D3E15_hP50_176_h_c_g_h_3hi:As-La-Mn-Na-O +mp-1519288,CaEuFeSbO6,-7.907791936,-2.4536162962,0.0721669745,0.0721669745,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Fe-O-Sb,,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Fe-O-Sb +mp-2222776,La2MgMnZnO6,-7.5472893873,-2.8587270755,0.170291847,0.170291847,GGA+U,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mn-O-Zn,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:La-Mg-Mn-O-Zn +mp-2240284,La2MgMnZnO6,-7.5486850764,-2.8601227646,0.1688961579,0.1688961579,GGA+U,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:La-Mg-Mn-O-Zn,11.0,A2BCD6E_hR33_146_2a_a_a_2b_a:La-Mg-Mn-O-Zn +mp-1037924,Mg30MnZnO32,-6.3599745533,-2.9736589414,0.0073597894,0.0073597894,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Zn, expected Mg110MnZnO72 to be Mg30MnZnO32" +mp-1037926,Mg30MnZnO32,-6.3598015027,-2.9734858907,0.00753284,0.00753284,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Zn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Zn, expected Mg90MnZnO80 to be Mg30MnZnO32" +mp-2226552,MgMn3Zn2O8,-7.0838961136,-1.9996587681,0.0951380104,0.0951380104,GGA+U,P1,AB3C8D2_aP14_1_a_3a_8a_2a:Mg-Mn-O-Zn,14.0,AB3C8D2_aP14_1_a_3a_8a_2a:Mg-Mn-O-Zn +mp-2228181,MgMn3Zn2O8,-7.034525125,-1.9502877796,0.1445089989,0.1445089989,GGA+U,Cm,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Mn-O-Zn,14.0,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Mn-O-Zn +mp-2226809,MgMn3Zn2O8,-7.0267141657,-1.9424768203,0.1523199582,0.1523199582,GGA+U,Cm,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Mn-O-Zn,14.0,AB3C8D2_mC28_8_a_ab_4a2b_2a:Mg-Mn-O-Zn +mp-2225019,MgMn3Zn2O8,-7.0509370321,-1.9666996867,0.1280970918,0.1280970918,GGA+U,C2/m,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Mn-O-Zn,14.0,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Mn-O-Zn +mp-2228466,MgMn4ZnO8,-7.7441566764,-2.0954713537,0.0670748504,0.0670748504,GGA+U,P1,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn,14.0,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn +mp-2226874,MgMn4ZnO8,-7.6466780314,-1.9979927087,0.1645534954,0.1645534954,GGA+U,P1,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn,14.0,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn +mp-2228493,MgMn4ZnO8,-7.6039256393,-1.9552403166,0.2073058875,0.2073058875,GGA+U,P1,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn,14.0,AB4C8D_aP14_1_a_4a_8a_a:Mg-Mn-O-Zn +mp-2226688,MgMn4ZnO8,-7.6977122714,-2.0490269487,0.1135192554,0.1135192554,GGA+U,C2/m,AB4C8D_mC28_12_a_cde_2ij_b:Mg-Mn-O-Zn,14.0,"Invalid WP multiplicities - AB4C8D_mC28_12_a_cde_3i3j_b:Mg-Mn-O-Zn, expected MgMn4ZnO18 to be MgMn4ZnO8" +mp-1233432,MgMn12Zn6O24,-7.4722746688,-1.9414966622,0.086812561,0.086812561,GGA+U,P1,AB12C24D6_aP43_1_a_12a_24a_6a:Mg-Mn-O-Zn,43.0,AB12C24D6_aP43_1_a_12a_24a_6a:Mg-Mn-O-Zn +mp-2224995,MgMn4Zn2O8,-7.1682268193,-1.8121376108,0.293988108,0.293988108,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2226458,MgMn4Zn2O8,-7.250308638,-1.8942194294,0.2119062893,0.2119062893,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2226820,MgMn4Zn2O8,-7.3238955993,-1.9678063908,0.138319328,0.138319328,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2233245,MgMn4Zn2O8,-7.3173928947,-1.9613036861,0.1448220327,0.1448220327,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2228663,MgMn4Zn2O8,-7.2878083787,-1.9317191701,0.1744065487,0.1744065487,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2226759,MgMn4Zn2O8,-7.3023068087,-1.9462176001,0.1599081187,0.1599081187,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2233098,MgMn4Zn2O8,-7.2915325633,-1.9354433548,0.170682364,0.170682364,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2226894,MgMn4Zn2O8,-7.29714248,-1.9410532714,0.1650724473,0.1650724473,GGA+U,P1,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn,15.0,AB4C8D2_aP15_1_a_4a_8a_2a:Mg-Mn-O-Zn +mp-2226801,MgMn4Zn2O8,-7.275180326,-1.9190911174,0.1870346013,0.1870346013,GGA+U,P-1,AB4C8D2_aP15_2_d_aei_4i_bc:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_aP15_2_d_aei_7i_bc:Mg-Mn-O-Zn, expected MgMn4Zn2O14 to be MgMn4Zn2O8" +mp-2226895,MgMn4Zn2O8,-7.3234445207,-1.9673553121,0.1387704067,0.1387704067,GGA+U,P-1,AB4C8D2_aP15_2_d_abce_4i_i:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_aP15_2_d_abce_8i_i:Mg-Mn-O-Zn, expected MgMn4Zn2O16 to be MgMn4Zn2O8" +mp-2226800,MgMn4Zn2O8,-7.3195663667,-1.9634771581,0.1426485607,0.1426485607,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_aP15_2_a_3i_7i_i:Mg-Mn-O-Zn, expected MgMn6Zn2O14 to be MgMn4Zn2O8" +mp-2227248,MgMn4Zn2O8,-7.3282571387,-1.9721679301,0.1339577887,0.1339577887,GGA+U,C2,AB4C8D2_mC30_5_a_abc_4c_c:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_b_acf_4i3j_i:Mg-Mn-O-Zn, expected MgMn4Zn2O20 to be MgMn4Zn2O8" +mp-2226899,MgMn4Zn2O8,-7.250384408,-1.8942951994,0.2118305193,0.2118305193,GGA+U,C2,AB4C8D2_mC30_5_a_2c_4c_ab:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_5_a_2c_6c_ab:Mg-Mn-O-Zn, expected MgMn4Zn2O12 to be MgMn4Zn2O8" +mp-2226901,MgMn4Zn2O8,-7.285719296,-1.9296300874,0.1764956313,0.1764956313,GGA+U,Pm,AB4C8D2_mP15_6_a_2c_ab3c_ab:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mP15_6_a_4c_ab4c_ab:Mg-Mn-O-Zn, expected MgMn8Zn2O10 to be MgMn4Zn2O8" +mp-2226937,MgMn4Zn2O8,-7.2663206107,-1.9102314021,0.1958943167,0.1958943167,GGA+U,Cm,AB4C8D2_mC30_8_a_4a_4a2b_b:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_8_a_4a_4a3b_b:Mg-Mn-O-Zn, expected MgMn4Zn2O10 to be MgMn4Zn2O8" +mp-2227769,MgMn4Zn2O8,-7.2977851773,-1.9416959688,0.16442975,0.16442975,GGA+U,C2/m,AB4C8D2_mC30_12_b_ei_2ij_ac:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_b_fi_3i3j_ac:Mg-Mn-O-Zn, expected MgMn4Zn2O18 to be MgMn4Zn2O8" +mp-2227974,MgMn4Zn2O8,-7.2775169153,-1.9214277068,0.184698012,0.184698012,GGA+U,C2/m,AB4C8D2_mC30_12_a_2i_4i_i:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_a_3i_7i_i:Mg-Mn-O-Zn, expected MgMn6Zn2O14 to be MgMn4Zn2O8" +mp-2228065,MgMn4Zn2O8,-7.2408077207,-1.8847185121,0.2214072067,0.2214072067,GGA+U,Imm2,AB4C8D2_oI30_44_a_abc_2c2d_d:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_abc_3c3d_d:Mg-Mn-O-Zn, expected MgMn4Zn2O12 to be MgMn4Zn2O8" +mp-2227726,MgMn4Zn2O8,-7.2620445847,-1.9059553761,0.2001703427,0.2001703427,GGA+U,Imm2,AB4C8D2_oI30_44_a_abc_2c2d_d:Mg-Mn-O-Zn,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_abc_3c3d_d:Mg-Mn-O-Zn, expected MgMn4Zn2O12 to be MgMn4Zn2O8" +mp-1036207,Mg14MnZnO16,-6.3920690559,-2.8929222127000003,0.0150749494,0.0150749494,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Zn, expected Mg18MnZnO20 to be Mg14MnZnO16" +mp-1036184,Mg14MnZnO16,-6.3924075328,-2.8932606896,0.0147364725,0.0147364725,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Zn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Zn, expected Mg30MnZnO32 to be Mg14MnZnO16" +mp-2217339,MgMn2Zn2O6,-6.7553711882,-2.0168320862,0.1261239768,0.1261239768,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Zn,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Zn +mp-2217791,MgMn2Zn2O6,-6.7272539391,-1.9887148371,0.1542412259,0.1542412259,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Zn,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Zn +mp-2223060,MgMn2Zn2O6,-6.6726525364,-1.9341134344,0.2088426286,0.2088426286,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Zn,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Zn +mp-1222262,MgMn2Zn2O12,-5.8654725176,-1.0534688477,0.3908949651,0.3908949651,GGA+U,C2,AB2C12D2_mC34_5_a_ab_6c_c:Mg-Mn-O-Zn,17.0,"Invalid WP multiplicities - AB2C12D2_mC34_5_a_ab_7c_c:Mg-Mn-O-Zn, expected MgMn2Zn2O14 to be MgMn2Zn2O12" +mp-1032803,Mg6MnZnO8,-6.4551273819,-2.7303180761,0.0316359487,0.0316359487,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Zn, expected Mg6MnZnO12 to be Mg6MnZnO8" +mp-1032822,Mg6MnZnO8,-6.4550622388,-2.730252933,0.0317010919,0.0317010919,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Zn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Zn, expected Mg6MnZnO12 to be Mg6MnZnO8" +mp-1521514,CaZrTiSnO6,-8.272735282,-3.0588856171,0.1912952027,0.1912952027,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-Ti-Zr,,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-Ti-Zr +mp-760579,Ti3Cu3(TeO8)2,-6.9897430779,-1.9306711101,0.0898079592,0.0898079592,GGA,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Cu-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Cu-O-Te-Ti, expected Ti3Cu3(TeO10)2 to be Ti3Cu3(TeO8)2" +mp-755091,Ti2Cu3Te3O16,-6.5611034037,-1.7000391911,0.1042221254,0.1042221254,GGA,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Cu-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Cu-O-Te-Ti, expected Ti2Cu3Te3O20 to be Ti2Cu3Te3O16" +mp-758259,Li4Ti3Cu3(TeO8)2,-6.7856973661,-2.1766466985,0.0732706585,0.0732706585,GGA,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cu-Li-O-Te-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Cu-Li-O-Te-Ti, expected Li4Ti3Cu3(TeO10)2 to be Li4Ti3Cu3(TeO8)2" +mp-1048438,Ba2AlTlCr2O7,-7.1480714846,-2.2342957327,0.416891976,0.416891976,GGA+U,P4/mmm,AB2C2D7E_tP13_123_b_g_h_ahi_c:Al-Ba-Cr-O-Tl,13.0,"Invalid WP multiplicities - AB2C2D7E_tP13_123_b_g_h_a2h2i_c:Al-Ba-Cr-O-Tl, expected Ba2AlTlCr2O13 to be Ba2AlTlCr2O7" +mp-694908,Sr3La7Ti3Mn7O30,-8.6689892198,-3.1521537293,0.1065256574,0.1065256574,GGA+U,P1,A7B7C30D3E3_aP50_1_7a_7a_30a_3a_3a:La-Mn-O-Sr-Ti,50.0,A7B7C30D3E3_aP50_1_7a_7a_30a_3a_3a:La-Mn-O-Sr-Ti +mp-694976,Sr3La7Ti2Mn8O30,-8.6016994974,-3.0595335414,0.1293956307,0.1293956307,GGA+U,P1,A7B8C30D3E2_aP50_1_7a_8a_30a_3a_2a:La-Mn-O-Sr-Ti,50.0,A7B8C30D3E2_aP50_1_7a_8a_30a_3a_2a:La-Mn-O-Sr-Ti +mp-1173230,Sr6La14Ti3Mn17O60,-8.5545342305,-2.9997030417,0.1506509862,0.1506509862,GGA+U,P1,A14B17C60D6E3_aP100_1_14a_17a_60a_6a_3a:La-Mn-O-Sr-Ti,100.0,A14B17C60D6E3_aP100_1_14a_17a_60a_6a_3a:La-Mn-O-Sr-Ti +mp-1278251,SrLaTiMnO6,-8.5942627945,-3.257948781,0.0848258081,0.0848258081,GGA+U,P1,ABC6DE_aP20_1_2a_2a_12a_2a_2a:La-Mn-O-Sr-Ti,20.0,ABC6DE_aP20_1_2a_2a_12a_2a_2a:La-Mn-O-Sr-Ti +mp-1273926,SrLaTiMnO6,-8.5910324958,-3.2547184823,0.0880561068,0.0880561068,GGA+U,P1,ABC6DE_aP40_1_4a_4a_24a_4a_4a:La-Mn-O-Sr-Ti,40.0,ABC6DE_aP40_1_4a_4a_24a_4a_4a:La-Mn-O-Sr-Ti +mp-39483,SrLaTiMnO6,-8.587164738,-3.2508507245,0.0919238646,0.0919238646,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sr-Ti,20.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sr-Ti +mp-691117,SrLaTiMnO6,-8.598716308,-3.2624022945,0.0803722946,0.0803722946,GGA+U,P2/c,ABC6DE_mP40_13_ef_g_2e2f4g_ef_g:La-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - ABC6DE_mP40_13_2ef_g_4e4f14g_2ef_g:La-Mn-O-Sr-Ti, expected Sr3La3Ti2Mn2O36 to be SrLaTiMnO6" +mp-1218157,SrLaTiMnO6,-8.565439212,-3.2291251985,0.1136493906,0.1136493906,GGA+U,R3,ABC6DE_hR30_146_a_a_2b_a_a:La-Mn-O-Sr-Ti,10.0,ABC6DE_hR30_146_a_a_2b_a_a:La-Mn-O-Sr-Ti +mp-1573704,Sr3LaTi2Mn2O12,-8.3171967338,-3.1432084029,0.0631608678,0.0631608678,GGA+U,Cm,AB2C12D3E2_mC40_8_a_2a_4a4b_3a_2a:La-Mn-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB2C12D3E2_aP20_1_a_4a_12a_3a_2a:La-Mn-O-Sr-Ti, expected Sr3LaTi2Mn4O12 to be Sr3LaTi2Mn2O12" +mp-1570791,Sr3LaTi2Mn2O12,-8.315994159,-3.1420058281,0.0643634426,0.0643634426,GGA+U,C2/m,AB2C12D3E2_mC40_12_a_i_bcefij_di_i:La-Mn-O-Sr-Ti,40.0,AB2C12D3E2_aP20_2_a_i_bcdefg3i_hi_i:La-Mn-O-Sr-Ti +mp-1218525,Sr3LaTi2Mn2O12,-8.3116898635,-3.1377015326,0.0686677381,0.0686677381,GGA+U,R-3m,AB2C12D3E2_hR60_166_a_c_deh_bc_c:La-Mn-O-Sr-Ti,20.0,"Invalid WP multiplicities - AB2C12D3E2_hR60_166_a_c_3d3e5h_b2c_c:La-Mn-O-Sr-Ti, expected Sr5LaTi2Mn2O48 to be Sr3LaTi2Mn2O12" +mp-4809,Ga2HgS4,-4.1002555657,-0.8280167261,0.0,-0.0309576579,GGA,I-4,A2BC4_tI14_82_ac_b_g:Ga-Hg-S,7.0,A2BC4_tI14_82_ac_b_g:Ga-Hg-S +mp-1225472,GaHg3AsSCl4,-2.9782890330000003,-0.9654038301,0.0,-0.0638578606,GGA,P3m1,AB4CD3E_hP20_156_ab_2c2d_2c_2d_ab:As-Cl-Ga-Hg-S,20.0,AB4CD3E_hP20_156_ab_2c2d_2c_2d_ab:As-Cl-Ga-Hg-S +mp-1238685,GaHg3AsSCl4,-2.978082891,-0.9651976881,0.000206142,-0.0636517186,GGA,P6_3mc,AB4CD3E_hP20_186_b_ac_a_c_b:As-Cl-Ga-Hg-S,20.0,AB4CD3E_hP20_186_b_ac_a_c_b:As-Cl-Ga-Hg-S +mp-559355,Hg3AsS4Cl,-3.1789331361,-0.5162113997000001,0.0041776682,0.0041776682,GGA,P6_3mc,ABC3D4_hP18_186_a_b_c_bc:As-Cl-Hg-S,18.0,"Invalid WP multiplicities - ABC3D4_hP18_186_a_b_c_2b2c:As-Cl-Hg-S, expected Hg3AsS8Cl to be Hg3AsS4Cl" +mp-1226773,CdAg2SnS4,-3.9339012788,-0.5409796426,0.0359420762,0.0359420762,GGA,Pm,A2BC4D_mP8_6_2b_a_2a2b_a:Ag-Cd-S-Sn,8.0,A2BC4D_mP8_6_2b_a_2a2b_a:Ag-Cd-S-Sn +mp-532680,Ba6CdAg2(SnS4)4,-4.8895354090000005,-1.4301100056,0.0,-0.0172073417,GGA,I-42d,A2B6CD16E4_tI116_122_d_c2d_a_4e_e:Ag-Ba-Cd-S-Sn,58.0,"Invalid WP multiplicities - A2B6CD16E4_tI116_122_d_4c7d_a_23e_e:Ag-Ba-Cd-S-Sn, expected Ba22CdAg2(SnS23)4 to be Ba6CdAg2(SnS4)4" +mp-1226771,CdAg2Sn3S8,-4.3324203786,-0.6389692167000001,0.0,-0.0074689307,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Ag-Cd-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Ag-Cd-S-Sn, expected CdAg2Sn3S16 to be CdAg2Sn3S8" +mp-12306,BaCdSnS4,-4.6290870929,-1.2866248039,0.0,-0.0227865015,GGA,Fdd2,ABC4D_oF224_43_2ab_2b_8b_2b:Ba-Cd-S-Sn,56.0,"Invalid WP multiplicities - ABC4D_oF224_43_2ab_2b_8b_4b:Ba-Cd-S-Sn, expected BaCd(SnS2)2 to be BaCdSnS4" +mp-1228659,Ba3Cd(SnS4)2,-4.9046828234,-1.491071593,0.004462502,0.004462502,GGA,I-42d,A3BC8D2_tI112_122_c2d_d_4e_e:Ba-Cd-S-Sn,56.0,"Invalid WP multiplicities - A3BC8D2_tI112_122_c3d_d_5e_e:Ba-Cd-S-Sn, expected Ba4Cd(SnS5)2 to be Ba3Cd(SnS4)2" +mp-1093931,Ba2CdAg,-0.8373283650000001,1.0610205458,1.3654998969,1.3654998969,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Ba-Cd,4.0,AB2C_oI8_71_a_e_b:Ag-Ba-Cd +mp-555161,Ni5Te4(ClO6)2,-5.9179800239,-1.3731432922,0.0014954699,0.0014954699,GGA+U,C2/c,A2B5C12D4_mC92_15_f_e2f_6f_2f:Cl-Ni-O-Te,46.0,"Invalid WP multiplicities - A2B5C12D4_mC92_15_f_2e4f_18f_4f:Cl-Ni-O-Te, expected Ni5Te4ClO18 to be Ni5Te4(ClO6)2" +mp-555442,Ni7Te6(ClO9)2,-5.9978283039,-1.3900021754,0.0,-0.0028914711,GGA+U,R-3,A2B7C18D6_hR99_148_c_af_3f_f:Cl-Ni-O-Te,33.0,"Invalid WP multiplicities - A2B7C18D6_hR99_148_c_a2f_13f_f:Cl-Ni-O-Te, expected Ni13Te6(ClO39)2 to be Ni7Te6(ClO9)2" +mp-646605,SrNi2Te3(ClO4)2,-5.8474696259000005,-1.725577907,0.0,-0.0046466725,GGA+U,P2_1/c,A2B2C8DE3_mP64_14_2e_2e_8e_e_3e:Cl-Ni-O-Sr-Te,64.0,"Invalid WP multiplicities - A2B2C8DE3_mP64_14_4e_4e_28e_e_11e:Cl-Ni-O-Sr-Te, expected SrNi4Te11(ClO7)4 to be SrNi2Te3(ClO4)2" +mp-18908,Sr2NiTeO6,-6.514412493,-2.3161563183,0.0,-0.0148548831,GGA+U,C2/m,AB6C2D_mC20_12_a_ij_i_d:Ni-O-Sr-Te,40.0,AB6C2D_mC20_12_a_ij_i_c:Ni-O-Sr-Te +mp-546843,Sr2NiTeO6,-6.270441229,-2.0721850542,0.243971264,0.2291163809,GGA+U,Immm,AB6C2D_oI20_71_a_fl_e_c:Ni-O-Sr-Te,10.0,"Invalid WP multiplicities - AB6C2D_oI20_71_a_2f2l_e_c:Ni-O-Sr-Te, expected Sr2NiTeO12 to be Sr2NiTeO6" +mp-1205327,Sr2NiTeO6,-6.512011598,-2.3137554232,0.002400895,-0.0124539881,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Ni-O-Sr-Te,10.0,AB6C2D_tI20_87_a_eh_d_b:Ni-O-Sr-Te +mp-1205311,Sr2NiTeO6,-6.4996456985,-2.3013895237,0.0147667945,-8.80886e-05,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-Te,40.0,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-Te +mp-1235227,LiTaNb(AgO3)2,-7.4872123745,-2.1041896645,0.3369364203,0.3369364203,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ag-Li-Nb-O-Ta,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ag-Li-Nb-O-Ta, expected LiTaNb(AgO5)2 to be LiTaNb(AgO3)2" +mp-1235999,LiTaNb(AgO3)2,-7.46056505,-2.0775423399,0.3635837448,0.3635837448,GGA,Pmm2,A2BCD6E_oP11_25_2d_b_a_2a2b2c_a:Ag-Li-Nb-O-Ta,11.0,A2BCD6E_oP11_25_2d_b_a_2a2b2c_a:Ag-Li-Nb-O-Ta +mp-1236593,LiTaNb(AgO3)2,-7.5152353682,-2.1322126581,0.3089134266,0.3089134266,GGA,Amm2,A2BCD6E_oC22_38_c_a_a_cde_b:Ag-Li-Nb-O-Ta,11.0,"Invalid WP multiplicities - A2BCD6E_oC22_38_c_a_a_c2d2e_b:Ag-Li-Nb-O-Ta, expected LiTaNb(AgO5)2 to be LiTaNb(AgO3)2" +mp-1235228,LiTaNb(AgO3)2,-7.50892088,-2.1258981699,0.3152279148,0.3152279148,GGA,P4/mmm,A2BCD6E_tP11_123_h_c_b_efg_a:Ag-Li-Nb-O-Ta,11.0,"Invalid WP multiplicities - A2BCD6E_tP11_123_h_c_b_2e2fg_a:Ag-Li-Nb-O-Ta, expected LiTaNb(AgO5)2 to be LiTaNb(AgO3)2" +mp-1235367,LiTaNb(AgO3)2,-7.5142129336,-2.1311902236,0.3099358612,0.3099358612,GGA,P4/mmm,A2BCD6E_tP11_123_h_c_a_efg_b:Ag-Li-Nb-O-Ta,11.0,"Invalid WP multiplicities - A2BCD6E_tP11_123_h_c_a_2e2fg_b:Ag-Li-Nb-O-Ta, expected LiTaNb(AgO5)2 to be LiTaNb(AgO3)2" +mp-1217947,TaNb(AgO3)2,-8.022266325,-2.2918336306,0.045644119,0.045644119,GGA,P2_12_12,A2BC6D_oP40_18_abc_c_ab5c_c:Ag-Nb-O-Ta,40.0,A2BC6D_oP40_18_abc_c_ab5c_c:Ag-Nb-O-Ta +mp-1217907,TaNb(AgO3)2,-8.003511934,-2.2730792396,0.06439851,0.06439851,GGA,P4/mmm,A2BC6D_tP10_123_h_a_efg_b:Ag-Nb-O-Ta,10.0,"Invalid WP multiplicities - A2BC6D_tP10_123_h_a_2e2fg_b:Ag-Nb-O-Ta, expected TaNb(AgO5)2 to be TaNb(AgO3)2" +mp-2217879,MgMoOs(PbO3)2,-6.9294983082,-1.404159763,0.4833322323,0.4833322323,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mo-O-Os-Pb,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mo-O-Os-Pb +mp-2218000,MgMoOs(PbO3)2,-7.0850198845,-1.5596813393,0.3278106559,0.3278106559,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mo-O-Os-Pb,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mo-O-Os-Pb +mp-2217736,MgMoOs(PbO3)2,-6.8690152055,-1.3436766602,0.543815335,0.543815335,GGA+U,Immm,ABC6DE2_oI22_71_c_a_el_b_f:Mg-Mo-O-Os-Pb,11.0,ABC6DE2_oI22_71_c_a_el_b_f:Mg-Mo-O-Os-Pb +mp-680932,OsPbO3,-7.357330362,-1.4013142353,0.0,-0.0068797442,GGA,Fd-3m,A3BC_cF80_227_f_c_d:O-Os-Pb,20.0,A3BC_cF80_227_f_c_d:O-Os-Pb +mp-1080023,MoOs(PbO3)2,-7.451342742,-1.5334983472,0.1335721475,0.1335721475,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Mo-O-Os-Pb,10.0,AB6CD2_cF40_225_a_e_b_c:Mo-O-Os-Pb +mp-2229267,MgMo2(Pb2O5)2,-6.9174470188,-1.7639731563,0.1600546446,0.1600546446,GGA+U,C2,AB2C10D4_mC34_5_a_c_2b4c_2c:Mg-Mo-O-Pb,17.0,AB2C10D4_mC34_5_a_c_2b4c_2c:Mg-Mo-O-Pb +mp-1521186,BaEuNbInO6,-8.385843215,-2.9149334373,0.0630577613,0.0630577613,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-In-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Eu-In-Nb-O +mp-1516299,BaEuZrSnO6,-8.540413032,-3.0990748828,0.0360838258,0.0360838258,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Zr +mp-672262,La3Zn3Ge2SbO14,-7.0551918665,-2.6544983425,0.0091506186,0.0091506186,GGA,P321,A2B3C14DE3_hP23_150_d_e_d2g_a_f:Ge-La-O-Sb-Zn,23.0,"Invalid WP multiplicities - A2B3C14DE3_hP23_150_d_e_2d10g_a_f:Ge-La-O-Sb-Zn, expected La3Zn3Ge2SbO64 to be La3Zn3Ge2SbO14" +mp-639526,La2(ZnGe2)3,-4.1867286295,-0.4240547959,0.0,-0.0065402528,GGA,Cmcm,A6B2C3_oC44_63_2ch_2c_ce:Ge-La-Zn,22.0,"Invalid WP multiplicities - A6B2C3_oC44_63_4c4h_3c_2c3e:Ge-La-Zn, expected La3(Zn2Ge5)4 to be La2(ZnGe2)3" +mp-1365073,Zn3Ge3(SbO6)2,-5.9491003746,-1.6857713041,0.2670527801,0.2670527801,GGA,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sb-Zn,80.0,A3B12C2D3_cI160_230_d_h_a_c:Ge-O-Sb-Zn +mp-20624,La2(Zn2Ge)3,-3.3013819345,-0.4559674405,0.0,-0.0374494125,GGA,P-62m,A3B2C6_hP11_189_f_d_fg:Ge-La-Zn,11.0,"Invalid WP multiplicities - A3B2C6_hP11_189_f_d_2f2g:Ge-La-Zn, expected La2(Zn4Ge)3 to be La2(Zn2Ge)3" +mp-1188097,GdFe4(CuO4)3,-7.363093104,-1.3823885228,0.2919202752,0.2919202752,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Gd-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Gd-O +mp-1520933,BaEuSnBiO6,-7.3883436578,-2.4177266585,0.089662221,0.089662221,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-Eu-O-Sn,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-Eu-O-Sn, expected BaEu2SnBiO12 to be BaEuSnBiO6" +mp-1520777,BaEuSnBiO6,-7.321973032,-2.3513560327,0.1560328467,0.1560328467,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sn +mp-1518138,SrPrDyFeO6,-7.776163054,-2.8534291014,0.1953136634,0.1953136634,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Dy-Fe-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Dy-Fe-O-Pr-Sr +mp-1516685,BaCaEuSeO6,-7.260597327,-2.5248352905,0.1596085643,0.1596085643,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-Se +mp-1520564,Ba2CaSeO6,-6.452516751,-2.5505574005,0.0,-0.0301515123,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Se,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-Se +mp-556287,NaBi2Sb3O11,-6.3709739151,-1.9119102035,0.0006681419,0.0006681419,GGA,Pn-3,A2BC11D3_cP68_201_e_b_efh_g:Bi-Na-O-Sb,68.0,"Invalid WP multiplicities - A2BC11D3_cP68_201_e_b_6e10f13h_g:Bi-Na-O-Sb, expected NaBi2(SbO40)3 to be NaBi2Sb3O11" +mp-1120815,NaCr2BiO6,-7.304059954,-1.8891357909,0.137810845,0.137810845,GGA+U,R3,AB2CD6_hR30_146_a_2a_a_2b:Bi-Cr-Na-O,10.0,AB2CD6_hR30_146_a_2a_a_2b:Bi-Cr-Na-O +mp-1518306,NaSrDyFeO6,-6.8295901820000005,-2.2526942756,0.1347197435,0.1347197435,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-Na-O-Sr +mp-1222133,Mg2MnAs2,-4.688665316,-0.3525028756,0.1370672748,0.1370672748,GGA,P3m1,A2B2C_hP5_156_ab_ac_b:As-Mg-Mn,5.0,A2B2C_hP5_156_ab_ac_b:As-Mg-Mn +mp-818613,MnAs3(PbO3)3,-6.5916286266,-1.6667842442,0.0422337749,0.0422337749,GGA+U,Pc,A3BC9D3_mP32_7_3a_a_9a_3a:As-Mn-O-Pb,64.0,A3BC9D3_mP32_7_3a_a_9a_3a:As-Mn-O-Pb +mp-2240590,MgMnPbO3,-6.4964256833,-1.6105909257,0.5572784315,0.5572784315,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ce_a:Mg-Mn-O-Pb,6.0,ABC3D_tP6_123_b_d_ce_a:Mg-Mn-O-Pb +mp-2223058,MgMnPbO3,-6.6218805183,-1.7360457607000002,0.4318235965,0.4318235965,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Mn-O-Pb,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Mn-O-Pb +mp-1042773,MgMnAs2O7,-7.0621034107,-2.0887076715,0.0146615368,0.0146615368,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Mg-Mn-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Mg-Mn-O +mp-1191373,MgMn2As2(PbO9)2,-6.0350651884,-1.0067356529,0.4777492452,0.4777492452,GGA+U,P-1,A2BC2D18E2_aP25_2_i_a_i_9i_i:As-Mg-Mn-O-Pb,25.0,A2BC2D18E2_aP25_2_i_a_i_9i_i:As-Mg-Mn-O-Pb +mp-1380034,MgMnAsO5,-7.1561676063,-2.1368104433,0.0723205521,0.0723205521,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Mg-Mn-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Mg-Mn-O +mp-1047769,Mg3Mn3(AsO4)4,-7.1680288117,-2.1653219261,0.0241227931,0.0241227931,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Mg-Mn-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Mg-Mn-O, expected Mg3Mn3(As5O29)2 to be Mg3Mn3(AsO4)4" +mp-1516737,NaNdHfTiO6,-8.794869839,-3.432521235,0.1254301205,0.1254301205,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-Na-Nd-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-Na-Nd-O-Ti +mp-1219200,Sm4Fe3Co(AsO)4,-7.2800665188,-1.6665693669,0.2760476533,0.2760476533,GGA+U,P-42m,A4BC3D4E4_tP16_111_n_a_de_bcf_n:As-Co-Fe-O-Sm,16.0,A4BC3D4E4_tP16_111_n_a_de_bcf_n:As-Co-Fe-O-Sm +mp-1219165,Sm4Fe3Co(AsO)4,-7.2840502569,-1.6705531050000002,0.2720639152,0.2720639152,GGA+U,P-4m2,A4BC3D4E4_tP16_115_2g_a_bcd_ef_2g:As-Co-Fe-O-Sm,16.0,"Invalid WP multiplicities - A4BC3D4E4_tP16_115_4g_a_bcd_ef_4g:As-Co-Fe-O-Sm, expected Sm8Fe3Co(As2O)4 to be Sm4Fe3Co(AsO)4" +mp-1091397,SmCoAsO,-7.0467621137,-1.6885843522,0.2742631159,0.2742631159,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Co-O-Sm,8.0,ABCD_tP8_129_c_a_b_c:As-Co-O-Sm +mp-20349,SmFeAsO,-7.3660709012,-1.6674672859,0.2630114655,0.2630114655,GGA+U,P4/nmm,ABCD_tP8_129_c_a_b_c:As-Fe-O-Sm,8.0,ABCD_tP8_129_c_a_b_c:As-Fe-O-Sm +mp-1208903,Sm2FeAs2O,-5.548187195,-0.1861673615,1.6073732628,1.6073732628,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:As-Fe-O-Sm,6.0,A2BCD2_tP6_123_g_a_b_g:As-Fe-O-Sm +mp-1219198,Sm2Fe2As2O,-6.74062416,-0.9346041298,0.6027164053,0.6027164053,GGA+U,P-4m2,A2B2CD2_tP7_115_g_ab_c_g:As-Fe-O-Sm,7.0,A2B2CD2_tP7_115_g_ab_c_g:As-Fe-O-Sm +mp-1225394,EuTiNbBi2O9,-8.4714356175,-2.7246516519,0.00727442,0.00727442,GGA,P2_1,A2BCD9E_mP28_4_2a_a_a_9a_a:Bi-Eu-Nb-O-Ti,28.0,"Invalid WP multiplicities - A2BCD9E_mP28_4_4a_a_a_17a_a:Bi-Eu-Nb-O-Ti, expected EuTiNbBi4O17 to be EuTiNbBi2O9" +mp-756777,Li4Cr5BiO12,-7.5689592859,-2.1552464458,0.0977258611,0.0977258611,GGA+U,C2/m,AB5C4D12_mC44_12_a_dgh_j_2i2j:Bi-Cr-Li-O,22.0,"Invalid WP multiplicities - AB5C4D12_mC44_12_a_cg2h_j_4i5j:Bi-Cr-Li-O, expected Li4Cr7BiO28 to be Li4Cr5BiO12" +mp-1226306,CrBiTeO6,-7.0172428961,-1.8709123671,0.0,-0.0449284153,GGA+U,P-31c,ABC6D_hP18_163_b_c_i_d:Bi-Cr-O-Te,36.0,ABC6D_hP18_163_b_c_i_d:Bi-Cr-O-Te +mp-772967,Li2Cr3BiO8,-7.5705139818,-2.1283006273,0.0353655693,0.0353655693,GGA+U,P1,AB3C2D8_aP56_1_4a_12a_8a_32a:Bi-Cr-Li-O,56.0,AB3C2D8_aP56_1_4a_12a_8a_32a:Bi-Cr-Li-O +mp-775998,Li4CrBi(TeO6)2,-6.1853259515,-1.8465207321,0.0761263841,0.0761263841,GGA+U,P1,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Bi-Cr-Li-O-Te,20.0,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Bi-Cr-Li-O-Te +mp-21724,ZnSiPbO4,-6.6939376887,-2.3818714666,0.0,-0.0146879174,GGA,Pna2_1,A4BCD_oP56_33_8a_2a_2a_2a:O-Pb-Si-Zn,56.0,A4BCD_oP56_33_8a_2a_2a_2a:O-Pb-Si-Zn +mp-1096880,CaZnPb,-2.7030274367,-0.3770305833,0.000454385,0.000454385,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ca-Pb-Zn,6.0,ABC_hP6_186_a_b_b:Ca-Pb-Zn +mp-1072794,CaZnPb,-2.6599736167,-0.3339767633,0.043508205,0.043508205,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Pb-Zn,6.0,ABC_hP6_194_a_c_d:Ca-Pb-Zn +mp-1200437,Ca2Zn3Si3PbO12,-6.9311160514,-2.7816257521,0.0,-0.0041393496,GGA,P2_1/c,A2B12CD3E3_mP84_14_2e_12e_e_3e_3e:Ca-O-Pb-Si-Zn,84.0,A2B12CD3E3_mP84_14_2e_12e_e_3e_3e:Ca-O-Pb-Si-Zn +mp-1097338,Ca2ZnPb,-1.0422312525,1.2036663575,1.6547003695,1.6547003695,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Pb-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Pb-Zn +mp-1183470,Ca2ZnPb,-2.693166655,-0.447269045,0.003764967,0.003764967,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Pb-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Pb-Zn +mp-1220715,Nb3Fe(BiO3)6,-7.6117497907,-2.2239902224,0.0,-0.0016589074,GGA+U,P1,A6BC3D18_aP28_1_6a_a_3a_18a:Bi-Fe-Nb-O,28.0,A6BC3D18_aP28_1_6a_a_3a_18a:Bi-Fe-Nb-O +mp-1342473,Sr2AlGaNi2O7,-6.6824130569,-2.3485858955,0.1582828925,0.1582828925,GGA+U,Cc,ABC2D7E2_mC52_9_a_a_2a_7a_2a:Al-Ga-Ni-O-Sr,26.0,"Invalid WP multiplicities - ABC2D7E2_mC52_9_a_a_4a_10a_4a:Al-Ga-Ni-O-Sr, expected Sr4AlGa(Ni2O5)2 to be Sr2AlGaNi2O7" +mp-1043888,Sr2GaNi2O7,-6.1446586171,-1.7618105114,0.2421589231,0.2421589231,GGA+U,Cm,AB2C7D2_mC48_8_2a_2b_2a6b_2b:Ga-Ni-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_8_2a_2b_2a11b_3b:Ga-Ni-O-Sr, expected Sr3Ga(NiO6)2 to be Sr2GaNi2O7" +mp-1519250,SrCaNbFeO6,-8.070582945,-2.8759277599,0.0511833267,0.0511833267,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Fe-Nb-O-Sr +mp-560805,Ba2CuSi2O7,-7.3964311604,-2.9452133614,0.0493389721,0.0493389721,GGA,C2/c,A2BC7D2_mC48_15_f_e_e3f_f:Ba-Cu-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_15_f_e_2e10f_f:Ba-Cu-O-Si, expected Ba2Cu(SiO11)2 to be Ba2CuSi2O7" +mp-11613,Ba2CuSi2O7,-7.4092945621,-2.958076763,0.0364755704,0.0364755704,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ba-Cu-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_c2ef_e:Ba-Cu-O-Si, expected Ba2CuSi2O9 to be Ba2CuSi2O7" +mp-6127,BaCu(Si2O5)2,-7.837189438,-3.0130431353,0.0111560647,0.0111560647,GGA,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ba-Cu-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ba-Cu-O-Si, expected BaCu(Si2O11)2 to be BaCu(Si2O5)2" +mp-16253,BaCaSi,-3.5103382592,-0.3937073092,0.0,-0.0314164108,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Ca-Si,12.0,ABC_oP12_62_c_c_c:Ba-Ca-Si +mp-1100437,BaCaSi,-3.0252695433,0.0913614067,0.4850687158,0.453652305,GGA,F-43m,ABC_cF12_216_a_c_b:Ba-Ca-Si,3.0,ABC_cF12_216_a_c_b:Ba-Ca-Si +mp-18216,BaCa2(SiO3)3,-7.87700383,-3.4285820173,0.0055417201,0.0055417201,GGA,P-1,AB2C9D3_aP30_2_i_2i_9i_3i:Ba-Ca-O-Si,30.0,AB2C9D3_aP30_2_i_2i_9i_3i:Ba-Ca-O-Si +mp-561050,BaCaSiO4,-7.5120632546,-3.3496850125,0.070346145,0.070346145,GGA,P6_3mc,ABC4D_hP56_186_bc_ac_b3cd_bc:Ba-Ca-O-Si,56.0,"Invalid WP multiplicities - ABC4D_hP56_186_2b2c_a2c_2b14c8d_2b2c:Ba-Ca-O-Si, expected Ba8Ca7(Si2O23)4 to be BaCaSiO4" +mp-22407,BaCu2Si2O7,-7.1529899746,-2.520086198,0.0354018723,0.0354018723,GGA,Pnma,AB2C7D2_oP48_62_c_d_c3d_d:Ba-Cu-O-Si,48.0,"Invalid WP multiplicities - AB2C7D2_oP48_62_c_d_c4d_d:Ba-Cu-O-Si, expected BaCu2Si2O9 to be BaCu2Si2O7" +mp-1228302,Ba4Cu2Si21,-4.9513057074,-0.1436763841,0.0102502188,0.0102502188,GGA,Ama2,A4B2C21_oC108_40_a3b_ab_5b8c:Ba-Cu-Si,54.0,"Invalid WP multiplicities - A4B2C21_oC108_40_2a3b_2ab_9b28c:Ba-Cu-Si, expected Ba5Cu3Si65 to be Ba4Cu2Si21" +mp-1182738,Ba8CuSi16,-4.3842024184,-0.1339586316,0.1718164544,0.1718164544,GGA,P1,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si,25.0,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si +mp-1191643,Ba8CuSi16,-4.3818461324,-0.1316023456,0.1741727404,0.1741727404,GGA,P1,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si,25.0,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si +mp-1192045,Ba8CuSi16,-4.4033078496,-0.1530640628,0.1527110232,0.1527110232,GGA,P1,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si,25.0,A8BC16_aP25_1_8a_a_16a:Ba-Cu-Si +mp-1192107,Ba8CuSi16,-4.5346145004,-0.2843707136,0.0214043724,0.0214043724,GGA,Pm,A8BC16_mP25_6_4a4b_a_4a4b4c:Ba-Cu-Si,25.0,"Invalid WP multiplicities - A8BC16_mP25_6_4a4b_a_4a4b8c:Ba-Cu-Si, expected Ba8CuSi24 to be Ba8CuSi16" +mp-1214671,Ba3CaCuSi6O17,-7.7902923014,-3.2007441714,0.0116236458,0.0116236458,GGA,Ama2,A3BCD17E6_oC112_40_bc_a_a_3b7c_2b2c:Ba-Ca-Cu-O-Si,56.0,A3BCD17E6_oC112_40_bc_a_a_3b7c_2b2c:Ba-Ca-Cu-O-Si +mp-11143,BaCu9Si4,-4.4935454632,-0.1711806711,0.0,-0.0591941593,GGA,I4/mcm,AB9C4_tI56_140_a_dkl_l:Ba-Cu-Si,28.0,"Invalid WP multiplicities - AB9C4_tI56_140_a_d3k2l_l:Ba-Cu-Si, expected BaCu21Si4 to be BaCu9Si4" +mp-1214552,Ba4Cu3Si20,-4.9198721583000005,-0.1613580706,0.0,-0.0042962593,GGA,Pm-3n,A4B3C20_cP54_223_ac_d_ik:Ba-Cu-Si,54.0,A4B3C20_cP54_223_ac_d_ik:Ba-Cu-Si +mp-1197716,BaCu(SiO3)2,-7.5218330084,-2.8669380146,0.0109614519,0.0109614519,GGA,I4_1cd,ABC6D2_tI160_110_b_2a_6b_2b:Ba-Cu-O-Si,80.0,ABC6D2_tI160_110_b_2a_6b_2b:Ba-Cu-O-Si +mp-1182662,BaCu(SiO3)2,-7.5106110714,-2.8557160776,0.0221833889,0.0221833889,GGA,P4_2/nmc,ABC6D2_tP40_137_d_c_gh_f:Ba-Cu-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_tP40_137_d_c_2g2h_f:Ba-Cu-O-Si, expected BaCu(SiO6)2 to be BaCu(SiO3)2" +mp-1201761,BaCu(SiO3)2,-7.4910175002,-2.8361225065,0.04177696,0.04177696,GGA,P4_2/nmc,ABC6D2_tP40_137_d_c_gh_f:Ba-Cu-O-Si,40.0,ABC6D2_tP40_137_d_c_gh_f:Ba-Cu-O-Si +mp-555332,BaCu(SiO3)2,-7.5113259495,-2.8564309557,0.0214685107,0.0214685107,GGA,I4/mmm,ABC6D2_tI40_139_d_e_im_h:Ba-Cu-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_tI40_139_d_e_3i3m_h:Ba-Cu-O-Si, expected BaCu(SiO9)2 to be BaCu(SiO3)2" +mp-565843,BaCu(SiO3)2,-7.5206059975,-2.8657110038,0.0121884627,0.0121884627,GGA,I4_1/acd,ABC6D2_tI160_142_e_d_3g_g:Ba-Cu-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_tI160_142_e_d_34g_g:Ba-Cu-O-Si, expected BaCu(SiO34)2 to be BaCu(SiO3)2" +mp-1048042,Sr2AlGaCu2O7,-6.4116647192,-2.3364421748,0.0942938285,0.0942938285,GGA,Cc,AB2CD7E2_mC52_9_a_2a_a_7a_2a:Al-Cu-Ga-O-Sr,26.0,"Invalid WP multiplicities - AB2CD7E2_mC52_9_a_4a_a_10a_4a:Al-Cu-Ga-O-Sr, expected Sr4AlGa(Cu2O5)2 to be Sr2AlGaCu2O7" +mp-1049290,CaHoTi2O6,-8.829517918,-3.6236054129,0.0037279687,0.0037279687,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ca-Ho-O-Ti,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ca-Ho-O-Ti, expected CaHoTi2O12 to be CaHoTi2O6" +mp-695081,Ca5Ho3Ti5Mn3O24,-8.5890432695,-3.3525617435,0.0225075399,0.0225075399,GGA+U,P1,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Ho-Mn-O-Ti,40.0,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:Ca-Ho-Mn-O-Ti +mp-1042494,BaAlCoCuO5,-6.5251902411,-1.9023548199,0.3691646739,0.3691646739,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Co-Cu-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Co-Cu-O +mp-1522159,BaSrFeBiO6,-6.775054337,-2.2151432369,0.019073075,0.019073075,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Fe-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Fe-O-Sr +mp-1227908,BaSr6Fe3Bi3O16,-6.7558647869,-2.3374342331,0.0763986669,0.0763986669,GGA+U,I4mm,AB3C3D16E6_tI58_107_a_3a_3a_10a3b_6a:Ba-Bi-Fe-O-Sr,29.0,AB3C3D16E6_tI58_107_a_3a_3a_10a3b_6a:Ba-Bi-Fe-O-Sr +mp-774516,Li8Mg3Cu9(SiO3)16,-7.1368806181,-2.5986516927,0.0578090043,0.0578090043,GGA,P-1,A9B8C3D48E16_aP84_2_b4i_4i_ci_24i_8i:Cu-Li-Mg-O-Si,84.0,"Invalid WP multiplicities - A9B8C3D48E16_aP84_2_b7i_6i_ci_46i_16i:Cu-Li-Mg-O-Si, expected Li12Mg3Cu15(Si8O23)4 to be Li8Mg3Cu9(SiO3)16" +mp-1027832,LiMg14Cu,-1.7656068969,0.0101462429,0.0598865943,0.0598865943,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-Li-Mg, expected LiMg18Cu to be LiMg14Cu" +mp-1027823,LiMg14Cu,-1.7645761531000002,0.0111769867,0.060917338,0.060917338,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-Li-Mg, expected LiMg26Cu to be LiMg14Cu" +mp-1022110,LiMg6Cu,-1.9383090519,0.0129171777,0.0856470321,0.0856470321,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-Li-Mg, expected LiMg12Cu to be LiMg6Cu" +mp-1022134,LiMg6Cu,-1.9411313125,0.0100949171,0.0828247715,0.0828247715,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-Li-Mg, expected LiMg12Cu to be LiMg6Cu" +mp-1096231,LiMg2Cu,-1.15491799,1.1472544192,1.2425951292,1.2425951292,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Li-Mg,4.0,ABC2_oI8_71_a_b_e:Cu-Li-Mg +mp-773087,Li2MgCu2(SiO3)4,-7.1702178905,-2.6617380915,0.0481721793,0.0481721793,GGA,P-1,A2B2CD12E4_aP21_2_i_i_a_6i_2i:Cu-Li-Mg-O-Si,21.0,"Invalid WP multiplicities - A2B2CD12E4_aP21_2_i_i_a_10i_3i:Cu-Li-Mg-O-Si, expected Li2MgCu2(Si3O10)2 to be Li2MgCu2(SiO3)4" +mp-1147750,La2CoSiO2,-7.110480755,-1.7273095121000002,0.7318090857,0.7318090857,GGA+U,P4/mmm,AB2C2D_tP6_123_b_h_e_a:Co-La-O-Si,6.0,AB2C2D_tP6_123_b_h_e_a:Co-La-O-Si +mp-1228420,BaLa8Co(Si3O13)2,-8.5625309069,-3.5701222343,0.0199570819,0.0199570819,GGA+U,P3,ABC8D26E6_hP42_143_a_b_ab2d_2c8d_2d:Ba-Co-La-O-Si,42.0,ABC8D26E6_hP42_143_a_b_ab2d_2c8d_2d:Ba-Co-La-O-Si +mp-1518063,SrCeEuNiO6,-7.995019199,-2.6610338634,0.2076694703,0.2076694703,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-Eu-Ni-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-Eu-Ni-O-Sr +mp-1518115,SrCeEuNiO6,-7.650265562,-2.3162802264,0.5524231073,0.5524231073,GGA+U,P222,ABCD6E_oP40_16_u_abcf_u_6u_degh:Ce-Eu-Ni-O-Sr,,ABCD6E_oP40_16_u_abcf_u_6u_degh:Ce-Eu-Ni-O-Sr +mp-2219376,Tb2MgNb2O8,-8.6587129362,-3.2244720115,0.1911340791,0.1911340791,GGA,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Tb,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Nb-O-Tb +mp-2219735,Tb2MgNb2O8,-8.6249727085,-3.1907317838,0.2248743068,0.2248743068,GGA,C2,AB2C8D2_mC26_5_a_c_4c_2b:Mg-Nb-O-Tb,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_c_8c_2b:Mg-Nb-O-Tb, expected Tb2MgNb2O16 to be Tb2MgNb2O8" +mp-2220173,Tb2MgNb2O8,-8.5761926431,-3.1419517185,0.2736543722,0.2736543722,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Tb,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_8c_ab:Mg-Nb-O-Tb, expected Tb2MgNb2O16 to be Tb2MgNb2O8" +mp-1519872,TbEu2NbO6,-9.832899341,-3.3399186402,0.1153620507,0.1153620507,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Tb +mp-1520291,Ca2CeNiO6,-7.095406902,-2.5549511157,0.198258526,0.198258526,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ca-Ce-Ni-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ca-Ce-Ni-O +mp-1517796,SrCaCeNiO6,-7.10902178,-2.6001766364,0.1455838125,0.1455838125,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Ni-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Ni-O-Sr +mp-1208811,Sr2LuCu2(BiO4)2,-6.388344524,-2.1648219429,0.1338219755,0.1338219755,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Lu-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Lu-O-Sr +mp-691074,SrPrGaCuO5,-6.754735075,-2.4957189131,0.1448674481,0.1448674481,GGA,P1,ABC5DE_aP18_1_2a_2a_10a_2a_2a:Cu-Ga-O-Pr-Sr,18.0,ABC5DE_aP18_1_2a_2a_10a_2a_2a:Cu-Ga-O-Pr-Sr +mp-1218089,SrPrGaCuO5,-6.8606229906,-2.6016068287,0.0389795325,0.0389795325,GGA,Cm,ABC5DE_mC36_8_b_2a_2a4b_b_b:Cu-Ga-O-Pr-Sr,18.0,"Invalid WP multiplicities - ABC5DE_mC36_8_b_2a_2a8b_b_b:Cu-Ga-O-Pr-Sr, expected SrPrGaCuO9 to be SrPrGaCuO5" +mp-1173145,SrPrGaCuO5,-6.8783958189,-2.619379657,0.0212067042,0.0212067042,GGA,Cc,ABC5DE_mC36_9_a_a_5a_a_a:Cu-Ga-O-Pr-Sr,18.0,"Invalid WP multiplicities - ABC5DE_mC36_9_a_a_9a_a_a:Cu-Ga-O-Pr-Sr, expected SrPrGaCuO9 to be SrPrGaCuO5" +mp-1218050,SrPrGa3O7,-7.0113990879,-2.8296067334,0.0,-0.0115896506,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Ga-O-Pr-Sr,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Ga-O-Pr-Sr, expected SrPrGa5O19 to be SrPrGa3O7" +mp-1218718,Sr2PrGaO5,-7.0626313456,-3.0713610966,0.031757398,0.031757398,GGA,Fmmm,AB5CD2_oF72_69_g_cno_h_fi:Ga-O-Pr-Sr,18.0,"Invalid WP multiplicities - AB5CD2_oF72_69_g_c2n2o_h_fi:Ga-O-Pr-Sr, expected Sr2PrGaO9 to be Sr2PrGaO5" +mp-541331,Sr2PrGaCu2O7,-6.6121970908000005,-2.4573337829,0.010452364,0.010452364,GGA,Ima2,A2BC7DE2_oI52_46_c_b_b3c_a_c:Cu-Ga-O-Pr-Sr,26.0,A2BC7DE2_oI52_46_c_b_b3c_a_c:Cu-Ga-O-Pr-Sr +mp-1518381,SrCaNdSbO6,-7.2522253135,-3.0249878862,0.0028913524,0.0028913524,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ca-Nd-O-Sb-Sr,,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ca-Nd-O-Sb-Sr, expected SrCaNdSbO12 to be SrCaNdSbO6" +mp-1518582,SrCaNdSbO6,-7.1909177645,-2.9636803372,0.0641989014,0.0641989014,GGA,P-4n2,ABC6DE_tP20_118_c_a_ei_b_d:Ca-Nd-O-Sb-Sr,20.0,ABC6DE_tP20_118_c_a_ei_b_d:Ca-Nd-O-Sb-Sr +mp-1518993,SrCaNdSbO6,-7.2020802525,-2.9748428252,0.0530364134,0.0530364134,GGA,P-4n2,ABC6DE_tP20_118_a_c_ei_b_d:Ca-Nd-O-Sb-Sr,20.0,ABC6DE_tP20_118_a_c_ei_b_d:Ca-Nd-O-Sb-Sr +mp-1518578,SrCaNdSbO6,-7.101687557,-2.8744501297,0.1534291089,0.1534291089,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Nd-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Nd-O-Sb-Sr +mp-1519020,SrCaNdSbO6,-7.086176309,-2.8589388817,0.1689403569,0.1689403569,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Ca-Nd-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Ca-Nd-O-Sb-Sr +mp-1211276,La3NbGa5O14,-7.6603584783,-2.9080346337,0.0442659154,0.0442659154,GGA,P321,A5B3CD14_hP23_150_df_e_a_d2g:Ga-La-Nb-O,23.0,A5B3CD14_hP23_150_df_e_a_d2g:Ga-La-Nb-O +mp-1224969,La6NbGa11O28,-7.5018566311,-2.9032981999,0.008568296,0.008568296,GGA,P1,A11B6CD28_aP46_1_11a_6a_a_28a:Ga-La-Nb-O,46.0,A11B6CD28_aP46_1_11a_6a_a_28a:Ga-La-Nb-O +mp-1227778,La6NbGa11O28,-7.4151833072,-2.816624876,0.0952416199,0.0952416199,GGA,P1,A11B6CD28_aP46_1_11a_6a_a_28a:Ga-La-Nb-O,46.0,A11B6CD28_aP46_1_11a_6a_a_28a:Ga-La-Nb-O +mp-1223199,La6NbGa11O28,-7.5033279865,-2.9047695554,0.0070969405,0.0070969405,GGA,C2,A11B6CD28_mC92_5_a5c_ab2c_b_14c:Ga-La-Nb-O,46.0,"Invalid WP multiplicities - A11B6CD28_mC92_5_a9c_ab4c_b_28c:Ga-La-Nb-O, expected La10NbGa19O56 to be La6NbGa11O28" +mp-1228232,Ba4CaNd3(Co4O11)2,-7.2269837963,-2.2354144293,0.0556277151,0.0556277151,GGA+U,Fmm2,A4BC8D3E22_oF152_42_2c_a_2e_3a_2b4cd2e:Ba-Ca-Co-Nd-O,38.0,"Invalid WP multiplicities - A4BC8D3E22_oF152_42_2c_a_2e_3a_2b8cd3e:Ba-Ca-Co-Nd-O, expected Ba4CaNd3(Co4O17)2 to be Ba4CaNd3(Co4O11)2" +mp-1147648,Sr2CoSeO2,-6.12438349,-2.144951223,0.0784238511,0.0784238511,GGA+U,P4/mmm,AB2CD2_tP6_123_b_e_a_h:Co-O-Se-Sr,6.0,AB2CD2_tP6_123_b_e_a_h:Co-O-Se-Sr +mp-561998,Sr2CoSe2(ClO3)2,-5.9930929012,-2.081067267,0.0,-0.0016244074,GGA+U,P2_1/c,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Co-O-Se-Sr,52.0,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Co-O-Se-Sr +mp-17540,Sr2Co(SeO3)3,-6.360542115,-1.9941929459,0.0,-0.0107311248,GGA+U,P-1,AB9C3D2_aP30_2_i_9i_3i_2i:Co-O-Se-Sr,30.0,"Invalid WP multiplicities - AB9C3D2_aP30_2_i_10i_5i_2i:Co-O-Se-Sr, expected Sr2Co(SeO2)5 to be Sr2Co(SeO3)3" +mp-1195160,Al2Cu2Bi2S3Cl8,-4.3298477626,-1.3552485779,0.0060241031,0.0060241031,GGA,P6_3/m,A2B2C8D2E3_hP34_176_f_f_fi_ac_h:Al-Bi-Cl-Cu-S,34.0,A2B2C8D2E3_hP34_176_f_f_fi_ac_h:Al-Bi-Cl-Cu-S +mp-1226127,Cu3Bi2S4Cl,-4.4489799005,-0.6116864607,0.0046299443,0.0046299443,GGA,P2_12_12_1,A2BC3D4_oP40_19_2a_a_3a_4a:Bi-Cl-Cu-S,40.0,A2BC3D4_oP40_19_2a_a_3a_4a:Bi-Cl-Cu-S +mp-554238,CuBiSCl2,-4.079891331,-0.9252475336,0.0370041118,0.0370041118,GGA,Cmcm,AB2CD_oC20_63_c_f_a_c:Bi-Cl-Cu-S,10.0,AB2CD_oC20_63_c_f_a_c:Bi-Cl-Cu-S +mp-1232849,Ba(MnAs)2,-6.509545206,-0.5972967392,0.071961276,-0.0940645494,GGA,C2/m,A2BC2_mC10_12_i_a_i:As-Ba-Mn,10.0,A2BC2_mC10_12_i_a_i:As-Ba-Mn +mp-15608,Ba(MnAs)2,-6.581506482,-0.6692580152000001,0.0,-0.1660258254,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Mn,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Mn +mp-7359,BaAgAs,-3.9275408517,-0.7906577356000001,0.0,-0.1427525263,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Ag-As-Ba,6.0,ABC_hP6_194_c_d_a:Ag-As-Ba +mp-1228293,Ba4Mn2Ag2As4O17,-6.8212827179,-2.1869646468,0.0655031214,0.0655031214,GGA+U,P1,A2B4C4D2E17_aP29_1_2a_4a_4a_2a_17a:Ag-As-Ba-Mn-O,29.0,A2B4C4D2E17_aP29_1_2a_4a_4a_2a_17a:Ag-As-Ba-Mn-O +mp-550454,Ba2Mn2As2O,-6.4750666614,-1.2712229492,0.0137553057,0.0137553057,GGA+U,C2/m,A2B2C2D_mC14_12_i_i_i_a:As-Ba-Mn-O,7.0,A2B2C2D_mC14_12_i_i_i_a:As-Ba-Mn-O +mp-18963,Ba2Mn3(AsO)2,-7.0117910322,-1.3967232557,0.0493764924,0.0493764924,GGA+U,I4/mmm,A2B2C3D2_tI18_139_e_e_ad_c:As-Ba-Mn-O,9.0,A2B2C3D2_tI18_139_e_e_ad_c:As-Ba-Mn-O +mp-558651,Ba2Mn(AsO4)2,-7.2209097877,-2.4600088898,0.0,-0.0245218344,GGA+U,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:As-Ba-Mn-O,52.0,"Invalid WP multiplicities - A2B2CD8_mP52_14_3e_4e_e_29e:As-Ba-Mn-O, expected Ba4MnAs3O29 to be Ba2Mn(AsO4)2" +mp-1223858,HoCo4Cu,-6.30128818,-0.1154737267,0.0363967513,0.0363967513,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Cu-Ho,6.0,A4BC_hP6_187_ak_c_e:Co-Cu-Ho +mp-1214661,Ba2HoCoCu2O7,-6.7202183469,-2.2314559728,0.0385930596,0.0385930596,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Ho-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Ho-O +mp-1018723,HoCo3Cu2,-5.7975526917,-0.1132567592,0.0502070901,0.0502070901,GGA,P6/mmm,A3B2C_hP6_191_g_c_a:Co-Cu-Ho,6.0,A3B2C_hP6_191_g_c_a:Co-Cu-Ho +mp-1226154,Fe8Cu3Te12(Cl5O16)2,-5.9554906832,-1.4238465945,0.0182578767,0.0182578767,GGA+U,Pmm2,A10B3C8D32E12_oP65_25_adefgh_2bc_2i_2e2f6i_ef2i:Cl-Cu-Fe-O-Te,65.0,A10B3C8D32E12_oP65_25_adefgh_2bc_2i_2e2f6i_ef2i:Cl-Cu-Fe-O-Te +mp-1518585,Eu2InFeO6,-8.452558095,-2.3109740143,0.2080315969,0.2080315969,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-In-O,10.0,A2BCD6_cF40_225_c_a_b_e:Eu-Fe-In-O +mp-1519852,CaEuInFeO6,-7.529691729,-2.2132478402,0.1971426737,0.1971426737,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-In-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-In-O +mp-1228954,CsNd2Ti2NbO10,-8.7671278344,-3.4051982454,0.0464412355,0.0464412355,GGA,Cm,ABC2D10E2_mC32_8_a_a_2a_4a3b_2a:Cs-Nb-Nd-O-Ti,16.0,ABC2D10E2_mC32_8_a_a_2a_4a3b_2a:Cs-Nb-Nd-O-Ti +mp-554929,CsNdNb2O7,-8.6858949636,-3.186533067,0.0213648212,0.0213648212,GGA,Pmc2_1,AB2CD7_oP22_26_b_c_a_a3c:Cs-Nb-Nd-O,22.0,"Invalid WP multiplicities - AB2CD7_oP22_26_b_c_a_a12c:Cs-Nb-Nd-O, expected CsNdNb2O25 to be CsNdNb2O7" +mp-1227517,Ca2Pr2MnNiO8,-7.7332238386,-2.8697472006,0.0497328132,0.0497328132,GGA+U,Cm,A2BCD8E2_mC28_8_2a_a_a_4a2b_2a:Ca-Mn-Ni-O-Pr,14.0,"Invalid WP multiplicities - A2BCD8E2_mC28_8_2a_a_a_4a3b_2a:Ca-Mn-Ni-O-Pr, expected Ca2Pr2MnNiO10 to be Ca2Pr2MnNiO8" +mp-1209751,Pr2MnNiO6,-8.1830193785,-2.7646098035,0.0,-0.0668275307,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Mn-Ni-O-Pr,20.0,ABC6D2_mP20_14_a_b_3e_e:Mn-Ni-O-Pr +mp-1219805,PrMnNi4,-6.37829864,-0.2010540122,0.0284378566,0.0284378566,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Mn-Ni-Pr,6.0,AB4C_hP6_187_a_ck_e:Mn-Ni-Pr +mp-559185,Li8Bi2(MoO4)7,-7.4075438639,-2.1324506221,0.0016113873,0.0016113873,GGA+U,I-4,A2B8C7D28_tI180_82_g_4g_ac3g_14g:Bi-Li-Mo-O,90.0,"Invalid WP multiplicities - A2B8C7D28_tI180_82_g_15g_ac9g_51g:Bi-Li-Mo-O, expected Li30Bi2Mo19O102 to be Li8Bi2(MoO4)7" +mp-558816,RbBi(MoO4)2,-7.5303978058,-2.0232450465,0.0,-0.0034206159,GGA+U,P2_1/c,AB2C8D_mP48_14_e_2e_8e_e:Bi-Mo-O-Rb,48.0,"Invalid WP multiplicities - AB2C8D_mP48_14_e_5e_29e_e:Bi-Mo-O-Rb, expected RbBiMo5O29 to be RbBi(MoO4)2" +mp-650024,RbLiBi2(MoO4)4,-7.5597959165,-2.0139602907,0.0036136178,0.0036136178,GGA+U,C2/c,A2BC4D16E_mC96_15_f_e_2f_8f_e:Bi-Li-Mo-O-Rb,48.0,"Invalid WP multiplicities - A2BC4D16E_mC96_15_f_e_5f_26f_e:Bi-Li-Mo-O-Rb, expected RbLiBi2(Mo5O26)2 to be RbLiBi2(MoO4)4" +mp-1218583,Sr4Fe2CoNiO12,-6.833500948,-2.0361641858,0.0312891891,0.0312891891,GGA+U,R3m,AB2CD12E4_hR60_160_a_2a_a_4b_4a:Co-Fe-Ni-O-Sr,20.0,"Invalid WP multiplicities - AB2CD12E4_hR60_160_a_2a_a_12b_4a:Co-Fe-Ni-O-Sr, expected Sr4Fe2CoNiO36 to be Sr4Fe2CoNiO12" +mp-1522829,BaNaLaMnO6,-7.0234980852,-2.3215325954,0.2301023708,0.2301023708,GGA+U,Pnnn,ABCDE6_oP40_48_ab_e_f_cd_3m:Ba-La-Mn-Na-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_f_2c2d_6m:Ba-La-Mn-Na-O, expected BaNa2LaMnO12 to be BaNaLaMnO6" +mp-1522946,BaNaLaMnO6,-7.032263068,-2.3302975782,0.2213373881,0.2213373881,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-La-Mn-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-La-Mn-Na-O +mp-1133344,Al4Fe13Si2(SbO14)2,-7.7621439598,-1.9925827046,0.2092983524,0.2092983524,GGA+U,C2/m,A4B13C28D2E2_mC98_12_j_a2g2j_2i6j_g_i:Al-Fe-O-Sb-Si,49.0,"Invalid WP multiplicities - A4B13C28D2E2_mC98_12_j_a4g7j_4i21j_g_i:Al-Fe-O-Sb-Si, expected Al4Fe37Si2(SbO46)2 to be Al4Fe13Si2(SbO14)2" +mp-1225284,Fe3SnSb,-6.59431381,0.115413535,0.163304648,0.163304648,GGA,P3m1,A3BC_hP5_156_abc_a_b:Fe-Sb-Sn,5.0,A3BC_hP5_156_abc_a_b:Fe-Sb-Sn +mp-1666215,Li4Fe3Sn3(SbO8)2,-6.725783407,-1.9943729598,0.0167461004,0.0167461004,GGA+U,P1,A3B4C16D2E3_aP56_1_6a_8a_32a_4a_6a:Fe-Li-O-Sb-Sn,56.0,A3B4C16D2E3_aP56_1_6a_8a_32a_4a_6a:Fe-Li-O-Sb-Sn +mp-754898,Li4Fe3Sn3(SbO8)2,-6.7289685405,-1.9975580933,0.0135609669,0.0135609669,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sb-Sn,56.0,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sb-Sn +mp-851349,Li4Fe3Sn2Sb3O16,-6.6873637364,-1.951687954,0.0420285546,0.0420285546,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-Sb-Sn,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Fe-Li-O-Sb-Sn, expected Li4Fe3Sn2Sb3O20 to be Li4Fe3Sn2Sb3O16" +mp-1031204,RbMg6TiO8,-6.1301578819,-2.5019568769,0.4863265238,0.4863265238,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Rb-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Rb-Ti, expected RbMg6TiO12 to be RbMg6TiO8" +mp-1031226,RbMg6TiO8,-6.1460408081,-2.5178398032,0.4704435975,0.4704435975,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Rb-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Rb-Ti, expected RbMg6TiO12 to be RbMg6TiO8" +mp-2219917,Rb2Na2MgTi2O6,-6.3098709923000005,-2.3346775244,0.2806863416,0.2806863416,GGA,P1,AB2C6D2E2_aP13_1_a_2a_6a_2a_2a:Mg-Na-O-Rb-Ti,13.0,AB2C6D2E2_aP13_1_a_2a_6a_2a_2a:Mg-Na-O-Rb-Ti +mp-2218753,Rb2Na2MgTi2O6,-6.3137872554,-2.3385937875,0.2767700785,0.2767700785,GGA,P-1,AB2C6D2E2_aP13_2_a_i_3i_i_i:Mg-Na-O-Rb-Ti,13.0,"Invalid WP multiplicities - AB2C6D2E2_aP13_2_a_i_6i_i_i:Mg-Na-O-Rb-Ti, expected Rb2Na2MgTi2O12 to be Rb2Na2MgTi2O6" +mp-1098349,RbMg30TiO32,-6.3034350236,-2.9412714869,0.0963295878,0.0963295878,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Rb-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Rb-Ti, expected RbMg110TiO72 to be RbMg30TiO32" +mp-1034123,RbMg14TiO16,-6.2582737497,-2.8074310569,0.2137307931,0.2137307931,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Rb-Ti,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Rb-Ti, expected RbMg18TiO20 to be RbMg14TiO16" +mp-1034122,RbMg14TiO16,-6.2456447912,-2.7948020985,0.2263597516,0.2263597516,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Rb-Ti,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Rb-Ti, expected RbMg30TiO32 to be RbMg14TiO16" +mp-1173503,NaPr2Ti2MnO9,-8.5974174308,-3.2402484622,0.0278326522,0.0278326522,GGA+U,P1,ABC9D2E2_aP60_1_4a_4a_36a_8a_8a:Mn-Na-O-Pr-Ti,60.0,ABC9D2E2_aP60_1_4a_4a_36a_8a_8a:Mn-Na-O-Pr-Ti +mp-775136,Li4Cr3Co3(TeO8)2,-7.0244337304,-1.9046687865,0.0347784513,0.0347784513,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-Te,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-Te, expected Li4Cr3Co3(TeO10)2 to be Li4Cr3Co3(TeO8)2" +mp-757983,Cr3Co3(TeO8)2,-7.2335578262,-1.5786525362,0.0792711688,0.0792711688,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Cr-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Cr-O-Te, expected Cr3Co3(TeO10)2 to be Cr3Co3(TeO8)2" +mp-1009593,CrCoTe,-6.6934549733,-0.0585645872,0.2000472075,0.2000472075,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Cr-Te,3.0,ABC_cF12_216_c_a_b:Co-Cr-Te +mp-1025239,Cr2CoTe4,-5.9613744214,-0.3917120917,0.0453626957,0.0453626957,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Cr-Te,7.0,AB2C4_mC14_12_a_i_2i:Co-Cr-Te +mp-770562,Li6AlCrO6,-6.2601826564,-2.3650188873,0.1067061824,0.1067061824,GGA+U,P-31c,ABC6D6_hP28_163_c_a_i_i:Al-Cr-Li-O,28.0,ABC6D6_hP28_163_c_a_i_i:Al-Cr-Li-O +mp-756662,Al3Cr3(SbO8)2,-7.5881260492,-2.2714222258,0.153563474,0.153563474,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Al-Cr-O-Sb,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Al-Cr-O-Sb, expected Al3Cr3(SbO10)2 to be Al3Cr3(SbO8)2" +mp-1222897,Li2Al2CrSbO8,-7.3067720864,-2.687875244,0.003016027,0.003016027,GGA+U,Cm,A2BC2D8E_mC56_8_2ab_b_4a_8a4b_2a:Al-Cr-Li-O-Sb,28.0,A2BC2D8E_mC56_8_2ab_b_4a_8a4b_2a:Al-Cr-Li-O-Sb +mp-770544,LiAlCrO3,-7.6313805383,-2.6067784883,0.1099118196,0.1099118196,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:Al-Cr-Li-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:Al-Cr-Li-O, expected LiAlCrO5 to be LiAlCrO3" +mp-755500,Li4AlCr3O8,-7.5658658597,-2.5712458974,0.0065773848,0.0065773848,GGA+U,P-1,AB3C4D8_aP16_2_a_bi_2i_4i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP16_2_b_2d2i_2i_4i:Al-Cr-Li-O, expected Li4AlCr6O8 to be Li4AlCr3O8" +mp-768749,Li4AlCr3O8,-7.5596597681,-2.5650398058,0.0127834764,0.0127834764,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_bc3i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_bc6i_16i:Al-Cr-Li-O, expected Li7AlCr5O16 to be Li4AlCr3O8" +mp-768694,Li4AlCr3O8,-7.5592918412,-2.564671879,0.0131514033,0.0131514033,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_abcg2i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_abcg4i_16i:Al-Cr-Li-O, expected Li6AlCr5O16 to be Li4AlCr3O8" +mp-768808,Li4AlCr3O8,-7.5594108581,-2.5647908958,0.0130323864,0.0130323864,GGA+U,P-1,AB3C4D8_aP32_2_i_bc2i_4i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_bc3i_7i_16i:Al-Cr-Li-O, expected Li7AlCr4O16 to be Li4AlCr3O8" +mp-803574,Li4AlCr3O8,-6.114075095,-1.1194551327,1.4583681495,1.4583681495,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_ac6i_16i:Al-Cr-Li-O, expected Li7AlCr6O16 to be Li4AlCr3O8" +mp-768851,Li4AlCr3O8,-7.5593016087,-2.5646816465,0.0131416358,0.0131416358,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_ac6i_16i:Al-Cr-Li-O, expected Li7AlCr6O16 to be Li4AlCr3O8" +mp-754006,Li4AlCr3O8,-7.5637125328,-2.5690925705,0.0087307117,0.0087307117,GGA+U,C2/m,AB3C4D8_mC32_12_a_be_hi_2ij:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_2b2e_hi_2ij:Al-Cr-Li-O, expected Li4AlCr6O8 to be Li4AlCr3O8" +mp-1330351,Li4AlCr3O8,-6.4988647916,-1.5042448293,1.073578453,1.073578453,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_ac6i_16i:Al-Cr-Li-O, expected Li7AlCr6O16 to be Li4AlCr3O8" +mp-768763,Li4AlCr3O8,-7.5657545647,-2.5711346024,0.0066886798,0.0066886798,GGA+U,P2/m,AB3C4D8_mP16_10_a_bj_ghk_mno:Al-Cr-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_mP16_10_a_2b2j_cfl_mno:Al-Cr-Li-O, expected Li4AlCr6O8 to be Li4AlCr3O8" +mp-755675,Li4AlCr3O8,-7.5643854887,-2.5697655265,0.0080577558,0.0080577558,GGA+U,C2/m,AB3C4D8_mC32_12_a_bh_ei_2ij:Al-Cr-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_b2h_ei_2ij:Al-Cr-Li-O, expected Li4AlCr5O8 to be Li4AlCr3O8" +mp-770341,Li4AlCr3O8,-7.56314808,-2.5685281177,0.0092951645,0.0092951645,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Al-Cr-Li-O,32.0,AB3C4D8_hR48_166_a_e_bd_ch:Al-Cr-Li-O +mp-770625,Li4Al3Cr3(SbO8)2,-7.4277180271,-2.5978400548,0.002027248,0.002027248,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Al-Cr-Li-O-Sb,56.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_2a2b_4a_8a4b_2a:Al-Cr-Li-O-Sb, expected Li4Al3Cr6(SbO8)2 to be Li4Al3Cr3(SbO8)2" +mp-1663521,LiAlCrO4,-7.6140456639,-2.6005740908,0.0828895064,0.0828895064,GGA+U,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:Al-Cr-Li-O,28.0,ABCD4_oP28_19_a_a_a_4a:Al-Cr-Li-O +mp-770545,LiAlCrO4,-7.6081920029,-2.5947204298,0.0887431675,0.0887431675,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:Al-Cr-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_13c:Al-Cr-Li-O, expected LiAlCrO13 to be LiAlCrO4" +mp-775170,Li2AlCr2SbO8,-7.5405982238,-2.4997391214,0.0091042131,0.0091042131,GGA+U,P1,AB2C2D8E_aP84_1_6a_12a_12a_48a_6a:Al-Cr-Li-O-Sb,84.0,AB2C2D8E_aP84_1_6a_12a_12a_48a_6a:Al-Cr-Li-O-Sb +mp-1222901,Li2AlCr2SbO8,-7.5432698064,-2.502410704,0.0064326305,0.0064326305,GGA+U,Cm,AB2C2D8E_mC56_8_b_2ab_4a_8a4b_2a:Al-Cr-Li-O-Sb,28.0,AB2C2D8E_mC56_8_b_2ab_4a_8a4b_2a:Al-Cr-Li-O-Sb +mp-770586,Li3AlCrO5,-6.9232876318,-2.5374040861,0.0501735618,0.0501735618,GGA+U,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:Al-Cr-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_6a_10a:Al-Cr-Li-O, expected Li6AlCrO10 to be Li3AlCrO5" +mp-861240,Li3Al2CrO6,-7.2223831167,-2.8431247835,0.0156406354,0.0156406354,GGA+U,C2/m,A2BC3D6_mC24_12_g_a_dh_ij:Al-Cr-Li-O,48.0,A2BC3D6_mC24_12_g_a_dh_ij:Al-Cr-Li-O +mp-1218575,Sr5Ti4FeO15,-8.1828207579,-3.2748292694,0.0124474469,0.0124474469,GGA+U,C2/m,AB15C5D4_mC50_12_c_bf2i2j_a2i_2i:Fe-O-Sr-Ti,100.0,AB15C5D4_mC50_12_c_ae2i2j_b2i_2i:Fe-O-Sr-Ti +mp-1653877,Sr6Ti3FeO14,-7.8611082933,-3.2133124626,0.0069674313,0.0069674313,GGA+U,Cmm2,AB14C6D3_oC192_35_2d_4a4b3c10d3e4f_3c6d3e_2c2d2e:Fe-O-Sr-Ti,96.0,"Invalid WP multiplicities - AB14C6D3_oC192_35_2d_4a4b6c14d6e4f_6c6d6e_4c2d4e:Fe-O-Sr-Ti, expected Sr9Ti5FeO19 to be Sr6Ti3FeO14" +mp-1645141,Sr6Ti3FeO14,-7.8658913919,-3.2180955611,0.0021843327,0.0021843327,GGA+U,Amm2,AB14C6D3_oC96_38_2a_6a8b4d3e_6a3e_2a2e:Fe-O-Sr-Ti,48.0,AB14C6D3_oC96_38_2a_6a8b4d3e_6a3e_2a2e:Fe-O-Sr-Ti +mp-1218493,Sr6Ti3FeO14,-7.8658525815,-3.2180567507,0.0022231431,0.0022231431,GGA+U,P4mm,AB14C6D3_tP24_99_a_3a3b4c_3a3b_a2b:Fe-O-Sr-Ti,48.0,AB14C6D3_tP24_99_a_3a3b4c_3a3b_a2b:Fe-O-Sr-Ti +mp-1641158,Sr6Ti3FeO14,-7.8659177635,-3.2181219328,0.002157961,0.002157961,GGA+U,P4bm,AB14C6D3_tP48_100_b_3a3b4c_3a3b_2ab:Fe-O-Sr-Ti,48.0,AB14C6D3_tP48_100_b_3a3b4c_3a3b_2ab:Fe-O-Sr-Ti +mp-1217793,SrTiFe3(BiO4)3,-7.415296467,-2.1214574158,0.0306070052,0.0306070052,GGA+U,R3,A3B3C12DE_hR60_146_3a_3a_4b_a_a:Bi-Fe-O-Sr-Ti,20.0,"Invalid WP multiplicities - A3B3C12DE_hR60_146_3a_3a_12b_a_a:Bi-Fe-O-Sr-Ti, expected SrTiFe3(BiO12)3 to be SrTiFe3(BiO4)3" +mp-1217795,SrTiFe4Bi4O15,-7.314997814,-1.9939035141,0.064764362,0.064764362,GGA+U,Cm,A4B4C15DE_mC50_8_2b_2b_a7b_a_a:Bi-Fe-O-Sr-Ti,25.0,"Invalid WP multiplicities - A4B4C15DE_mC50_8_3b_3b_a12b_a_a:Bi-Fe-O-Sr-Ti, expected SrTiFe6Bi6O25 to be SrTiFe4Bi4O15" +mp-1217783,SrTiFeBiO6,-7.7611284048,-2.603565597,0.0154815487,0.0154815487,GGA+U,R3,ABC6DE_hR30_146_a_a_2b_a_a:Bi-Fe-O-Sr-Ti,40.0,ABC6DE_hR30_146_a_a_2b_a_a:Bi-Fe-O-Sr-Ti +mp-1292063,Sr2TiFeO6,-7.824271187,-2.8818079469,0.006864951,0.006864951,GGA+U,Cmmm,AB6C2D_oC80_65_2g_abeg2hi2pq_2jq_p:Fe-O-Sr-Ti,40.0,"Invalid WP multiplicities - AB6C2D_oC80_65_4g_abeg4h2i8pq_4j2q_p:Fe-O-Sr-Ti, expected Sr8Ti2Fe4O27 to be Sr2TiFeO6" +mp-1218692,Sr2TiFeO6,-7.8243529863,-2.8818897462,0.0067831517,0.0067831517,GGA+U,P4/mmm,AB6C2D_tP10_123_a_efg_h_b:Fe-O-Sr-Ti,40.0,AB6C2D_tP10_123_a_efg_h_b:Fe-O-Sr-Ti +mp-1094048,Sr2TiFeO6,-7.809109334,-2.8666460939,0.022026804,0.022026804,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Ti +mp-568707,CsPr9Nb(Br5N2)3,-6.1118344625,-2.1324827842,0.0,-0.1379495964,GGA,P6_3/m,A15BC6DE9_hP64_176_h2i_a_i_c_hi:Br-Cs-N-Nb-Pr,64.0,"Invalid WP multiplicities - A15BC6DE9_hP64_176_5h17i_a_i_c_4h4i:Br-Cs-N-Nb-Pr, expected CsPr36Nb(Br39N2)3 to be CsPr9Nb(Br5N2)3" +mp-1213382,CsPr(NbBr3)6,-5.2030022321,-1.5784388357,0.0,-0.0274361962,GGA,P-31c,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Pr,52.0,A18BC6D_hP52_163_3i_c_i_d:Br-Cs-Nb-Pr +mp-1030663,CsNbN2,-7.8402966672,-0.9228723517,0.0,-0.1473185706,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cs-N-Nb,64.0,AB2C_oP64_61_2c_4c_2c:Cs-N-Nb +mp-8978,CsNbN2,-7.8325053575,-0.915081042,0.0077913097,-0.1395272609,GGA,Fd-3m,AB2C_cF32_227_b_c_a:Cs-N-Nb,8.0,AB2C_cF32_227_b_c_a:Cs-N-Nb +mp-1045646,Ba2CaCuSb2F14,-5.4672193935,-3.2191461708,0.0558168425,0.0558168425,GGA,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Sb,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-Sb, expected Ba2CaCuSb2F48 to be Ba2CaCuSb2F14" +mp-1041343,BaCaSbF7,-5.6824198755,-3.5390269923,0.0906198353,0.0906198353,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Sb,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Sb, expected BaCaSbF23 to be BaCaSbF7" +mp-1518459,NaSrEuSeO6,-6.85569687,-2.2111904408,0.1531765084,0.1531765084,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Eu-Na-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Eu-Na-O-Se-Sr +mp-1516843,SrTbEuSbO6,-8.056765015,-3.0177655289,0.0442900467,0.0442900467,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Tb +mp-1522055,PrEuZrMnO6,-9.346249156,-3.1034735815,0.2001888205,0.2001888205,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-Zr +mp-1523171,NaEuZrSbO6,-8.199500028,-2.8058639049,0.0484417383,0.0484417383,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Zr +mp-1218770,Sr2NdSmMn4O12,-8.176623244,-2.7329209351,0.0120285172,0.0120285172,GGA+U,Cm,A4BC12DE2_mC40_8_2b_a_4a4b_a_2a:Mn-Nd-O-Sm-Sr,20.0,"Invalid WP multiplicities - A4BC12DE2_mC40_8_3b_a_4a8b_a_2a:Mn-Nd-O-Sm-Sr, expected Sr2NdSmMn6O20 to be Sr2NdSmMn4O12" +mp-1522543,BaCeEuSbO6,-8.17093752,-2.9791175797,0.1222856959,0.1222856959,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Ce-Eu-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Ce-Eu-O-Sb, expected BaCeEuSbO12 to be BaCeEuSbO6" +mp-1522633,BaCeEuSbO6,-8.0522714345,-2.8604514942,0.2409517814,0.2409517814,GGA,P222,ABCD6E_oP40_16_abcf_u_degh_6u_u:Ba-Ce-Eu-O-Sb,40.0,ABCD6E_oP40_16_abcf_u_degh_6u_u:Ba-Ce-Eu-O-Sb +mp-1522608,BaCeEuSbO6,-8.124282896,-2.9324629557,0.1689403199,0.1689403199,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Eu-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Eu-O-Sb +mp-1357359,MgSbAsO5,-6.4182196909,-2.0279892845,0.1294493392,0.1294493392,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-Sb,32.0,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-Sb +mp-1045681,MgSbAs2SeO7,-6.0695393868,-1.6386851737,0.2322547355,0.2322547355,GGA,I4_1/a,A2BC7DE_tI192_88_2f_f_7f_f_f:As-Mg-O-Sb-Se,96.0,"Invalid WP multiplicities - A2BC7DE_tI192_88_11f_f_51f_f_f:As-Mg-O-Sb-Se, expected MgSbAs11SeO51 to be MgSbAs2SeO7" +mp-1521023,SrEuCrBiO6,-7.869651198,-2.3576347859,0.1860949197,0.1860949197,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Cr-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Cr-Eu-O-Sr +mp-1223384,La3TaCo2O9,-8.8192520387,-3.1257431763,0.02355696,0.02355696,GGA+U,P2_1/c,A2B3C9D_mP60_14_abe_3e_9e_e:Co-La-O-Ta,60.0,"Invalid WP multiplicities - A2B3C9D_mP60_14_ab2e_11e_32e_e:Co-La-O-Ta, expected La11TaCo3O32 to be La3TaCo2O9" +mp-1173186,SrLaTaCoO6,-8.5823551433,-3.0551823182,0.1045692142,0.1045692142,GGA+U,P3m1,ABC6DE_hP60_156_2a3bc_2a2b2c_12d_2a2b2c_2ab3c:Co-La-O-Sr-Ta,60.0,"Invalid WP multiplicities - ABC6DE_hP60_156_2a3bc_2a2b2c_35d_2a2b2c_2ab3c:Co-La-O-Sr-Ta, expected Sr2La2Ta2Co2O35 to be SrLaTaCoO6" +mp-1173226,Sr3LaTa2(CoO6)2,-8.3111184275,-2.946271285,0.0828082363,0.0828082363,GGA+U,P1,A2BC12D3E2_aP40_1_4a_2a_24a_6a_4a:Co-La-O-Sr-Ta,40.0,A2BC12D3E2_aP40_1_4a_2a_24a_6a_4a:Co-La-O-Sr-Ta +mp-1173242,Sr3LaTa2(CoO6)2,-8.3560706167,-2.9912234743,0.037856047,0.037856047,GGA+U,Pmm2,A2BC12D3E2_oP40_25_3ad_bc_4a4d4i_3b3c_a3d:Co-La-O-Sr-Ta,40.0,"Invalid WP multiplicities - A2BC12D3E2_oP40_25_3ad_bc_4a4d8i_3b3c_a3d:Co-La-O-Sr-Ta, expected Sr3LaTa2(CoO10)2 to be Sr3LaTa2(CoO6)2" +mp-1224958,La4TaCo33,-7.0511224755,-0.0464831786,0.0165902693,0.0165902693,GGA,Cm,A33B4C_mC76_8_9a12b_4a_a:Co-La-Ta,38.0,"Invalid WP multiplicities - A33B4C_mC76_8_9a23b_4a_a:Co-La-Ta, expected La4TaCo55 to be La4TaCo33" +mp-1283831,Sr2TaCoO6,-8.099535275,-2.8970138151,0.0,-0.0006918374,GGA+U,R-3m,AB6C2D_hR120_166_2c_4h_4c_abc:Co-O-Sr-Ta,40.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Ta +mp-1208733,Sr2TaCoO6,-8.0967047483,-2.8941832883,0.0028305267,0.0021386894,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Ta,40.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Ta +mp-1275766,Sr3TaCoO7,-7.8021203854,-2.9136706551,0.0331930952,0.0331930952,GGA+U,P1,AB7C3D_aP48_1_4a_28a_12a_4a:Co-O-Sr-Ta,48.0,AB7C3D_aP48_1_4a_28a_12a_4a:Co-O-Sr-Ta +mp-1298696,Sr3TaCoO7,-7.8228358883,-2.934386158,0.0124775923,0.0124775923,GGA+U,C2,AB7C3D_mC48_5_ab_3a3b4c_3a3b_ab:Co-O-Sr-Ta,24.0,AB7C3D_mC48_5_ab_3a3b4c_3a3b_ab:Co-O-Sr-Ta +mp-1304728,Sr3TaCoO7,-7.7997106458,-2.9112609155,0.0356028348,0.0356028348,GGA+U,Cm,AB7C3D_mC96_8_4a_28a_12a_4a:Co-O-Sr-Ta,48.0,AB7C3D_mC96_8_4a_28a_12a_4a:Co-O-Sr-Ta +mp-1302208,Sr3TaCoO7,-7.8036132533,-2.915163523,0.0317002273,0.0317002273,GGA+U,Pmn2_1,AB7C3D_oP48_31_2a_14a_6a_2a:Co-O-Sr-Ta,48.0,"Invalid WP multiplicities - AB7C3D_oP48_31_4a_18a_8a_3a:Co-O-Sr-Ta, expected Sr8Ta3(Co2O9)2 to be Sr3TaCoO7" +mp-1282822,Sr3TaCoO7,-7.8191797271,-2.9307299968,0.0161337535,0.0161337535,GGA+U,Aea2,AB7C3D_oC48_41_a_3a2b_3a_a:Co-O-Sr-Ta,48.0,AB7C3D_oC48_41_a_3a2b_3a_a:Co-O-Sr-Ta +mp-1309013,Sr3TaCoO7,-7.7933862246,-2.9049364943,0.041927256,0.041927256,GGA+U,P4mm,AB7C3D_tP24_99_ab_3a3b4c_3a3b_ab:Co-O-Sr-Ta,24.0,AB7C3D_tI24_107_a_3a2b_3a_a:Co-O-Sr-Ta +mp-1218425,Sr3TaCoO7,-7.8106176542,-2.9221679239,0.0246958265,0.0246958265,GGA+U,I4mm,AB7C3D_tI24_107_a_3a2b_3a_a:Co-O-Sr-Ta,24.0,AB7C3D_tI24_107_a_3a2b_3a_a:Co-O-Sr-Ta +mp-1274989,Sr3TaCoO7,-7.8076321452,-2.9191824149,0.0276813354,0.0276813354,GGA+U,I4_1cd,AB7C3D_tI96_110_a_3a2b_3a_a:Co-O-Sr-Ta,48.0,AB7C3D_tI96_110_a_3a2b_3a_a:Co-O-Sr-Ta +mp-2226456,Ba2PrMgSbO6,-6.5241000664,-2.5215301398000003,0.4297573915,0.4297573915,GGA,P-1,A2BC6DE_aP11_2_i_a_3i_c_d:Ba-Mg-O-Pr-Sb,11.0,"Invalid WP multiplicities - A2BC6DE_aP11_2_i_a_6i_c_d:Ba-Mg-O-Pr-Sb, expected Ba2PrMgSbO12 to be Ba2PrMgSbO6" +mp-2240824,Ba2PrMgSbO6,-6.8022029609,-2.7996330343,0.1516544969,0.1516544969,GGA,R3,A2BC6DE_hR33_146_2a_a_2b_a_a:Ba-Mg-O-Pr-Sb,11.0,A2BC6DE_hR33_146_2a_a_2b_a_a:Ba-Mg-O-Pr-Sb +mp-1044416,PrMg(SbO3)2,-6.775611108,-2.3436790527,0.2724730921,0.2724730921,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Mg-O-Pr-Sb,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Mg-O-Pr-Sb, expected PrMg(SbO6)2 to be PrMg(SbO3)2" +mp-1233304,Rb2Ba8Mg(Sb3O)2,-4.1161541321,-1.2961261017,0.1293026493,0.1293026493,GGA,P1,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Mg-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Mg-O-Rb-Sb +mp-1234383,Rb2Ba8Mg(Sb3O)2,-4.12172762,-1.3016995896,0.1237291614,0.1237291614,GGA,P1,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Mg-O-Rb-Sb,19.0,A8BC2D2E6_aP19_1_8a_a_2a_2a_6a:Ba-Mg-O-Rb-Sb +mp-1234090,Rb2Ba8Mg(Sb3O)2,-4.0866625895,-1.2666345591,0.1587941919,0.1587941919,GGA,Fmm2,A8BC2D2E6_oF76_42_2ce_a_c_d_2abd:Ba-Mg-O-Rb-Sb,19.0,"Invalid WP multiplicities - A8BC2D2E6_oF76_42_3c2e_a_c_d_2ab2d:Ba-Mg-O-Rb-Sb, expected Rb2Ba14Mg(Sb4O)2 to be Rb2Ba8Mg(Sb3O)2" +mp-1026612,RbMg14Sb,-1.66161285,0.0579781508,0.1560069183,0.1560069183,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Sb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Sb, expected RbMg18Sb to be RbMg14Sb" +mp-1026606,RbMg14Sb,-1.6164497669,0.1031412339,0.2011700014,0.2011700014,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Sb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Sb, expected RbMg26Sb to be RbMg14Sb" +mp-2239834,RbMgSbO3,-4.95565598,-1.364009064,0.8973441867,0.8973441867,GGA,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Mg-O-Rb-Sb,6.0,"Invalid WP multiplicities - AB3CD_tP6_123_b_c2e_a_d:Mg-O-Rb-Sb, expected RbMgSbO5 to be RbMgSbO3" +mp-2223672,RbMgSbO3,-5.6498590817,-2.0582121656,0.203141085,0.203141085,GGA,R3m,AB3CD_hR18_160_a_b_a_a:Mg-O-Rb-Sb,6.0,AB3CD_hR18_160_a_b_a_a:Mg-O-Rb-Sb +mp-1033561,RbMg6SbO8,-5.5945859631,-2.2017906317,0.5549920244000001,0.5549920244000001,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Rb-Sb,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Rb-Sb, expected RbMg6SbO12 to be RbMg6SbO8" +mp-1033567,RbMg6SbO8,-5.679602755,-2.2868074236,0.4699752325,0.4699752325,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Rb-Sb,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Rb-Sb, expected RbMg6SbO12 to be RbMg6SbO8" +mp-1034107,RbMg14SbO16,-5.9565002594,-2.6233604034,0.2820510744,0.2820510744,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Rb-Sb,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Rb-Sb, expected RbMg18SbO20 to be RbMg14SbO16" +mp-1034079,RbMg14SbO16,-5.9709679238,-2.6378280677,0.26758341,0.26758341,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Rb-Sb,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Rb-Sb, expected RbMg30SbO32 to be RbMg14SbO16" +mp-15983,Ba2NaNb5O15,-8.7679932128,-3.1215875153,0.0067218322,0.0067218322,GGA,P4bm,A2BC5D15_tP46_100_c_a_bd_bc3d:Ba-Na-Nb-O,46.0,"Invalid WP multiplicities - A2BC5D15_tP46_100_c_a_bd_bc4d:Ba-Na-Nb-O, expected Ba2NaNb5O19 to be Ba2NaNb5O15" +mp-1218510,Sr3Zr2Nb2O12,-8.7677402642,-3.4137004624,0.0659689948,0.0659689948,GGA,R-3m,A2B12C3D2_hR57_166_c_deh_ac_c:Nb-O-Sr-Zr,19.0,"Invalid WP multiplicities - A2B12C3D2_hR57_166_c_3d3e6h_a2c_c:Nb-O-Sr-Zr, expected Sr5Zr2Nb2O54 to be Sr3Zr2Nb2O12" +mp-1521067,BaSrZrNbO6,-8.572397156000001,-3.3786365229,0.0426270118,0.0426270118,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Zr +mp-1521908,Sr2ZrNbO6,-8.542928035,-3.3721155506,0.053976469,0.053976469,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Zr,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Zr +mp-631361,SrZr2Nb,-6.4954130075,0.7261369308000001,0.7261369308000001,0.7261369308000001,GGA,F-43m,ABC2_cF16_216_a_c_bd:Nb-Sr-Zr,4.0,ABC2_cF16_216_a_c_bd:Nb-Sr-Zr +mp-2230915,Ho2Mg(SbO3)4,-6.9762472084,-2.4161752461,0.1983464164,0.1983464164,GGA,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Ho-Mg-O-Sb,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Ho-Mg-O-Sb +mp-1049228,HoMg(SbO3)2,-6.788338017,-2.3762556503,0.2921952489,0.2921952489,GGA,Pmn2_1,ABC6D2_oP20_31_a_a_2a2b_b:Ho-Mg-O-Sb,20.0,"Invalid WP multiplicities - ABC6D2_oP20_31_a_a_4a4b_b:Ho-Mg-O-Sb, expected HoMg(SbO6)2 to be HoMg(SbO3)2" +mp-6687,Ba2HoSbO6,-7.325121878,-3.1021726523,0.0,-0.1060271356,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Sb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-Sb +mp-2240375,Ba2HoMgSbO6,-6.6519394,-2.6674146448,0.371365253,0.371365253,GGA,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Ho-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Ho-Mg-O-Sb, expected Ba2HoMgSbO10 to be Ba2HoMgSbO6" +mp-2222805,Ba2HoMgSbO6,-6.5521638145,-2.5676390593,0.4711408384,0.4711408384,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Ho-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_e2l_b:Ba-Ho-Mg-O-Sb, expected Ba2HoMgSbO10 to be Ba2HoMgSbO6" +mp-2240487,Ba2HoMgSbO6,-6.7946214764,-2.8100967211,0.2286831766,0.2286831766,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Ho-Mg-O-Sb,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Ho-Mg-O-Sb, expected Ba2HoMgSbO15 to be Ba2HoMgSbO6" +mp-1219014,SmGa3Cu,-4.07477947,-0.4943632955,0.0,-0.02304957,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Cu-Ga-Sm,5.0,AB3C_tI10_119_a_bf_c:Cu-Ga-Sm +mp-541330,Sr2SmGaCu2O7,-6.6299783431,-2.4799088521,0.0093960301,0.0093960301,GGA,Ima2,A2BC7DE2_oI52_46_c_b_b3c_a_c:Cu-Ga-O-Sm-Sr,26.0,A2BC7DE2_oI52_46_c_b_b3c_a_c:Cu-Ga-O-Sm-Sr +mp-1219137,Sm2Ga3Cu,-4.35296476,-0.5828535921,0.0034437467,-0.0114475992,GGA,Pmm2,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-Sm,6.0,AB3C2_oP6_25_a_a2b_cd:Cu-Ga-Sm +mp-1219195,Sm2Ga3Cu,-4.3564085067,-0.5862973387,0.0,-0.0148913458,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Sm,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Sm +mp-1208763,Sm(Ga2Cu)4,-3.7048255474,-0.2171193171,0.0265307502,0.0265307502,GGA,P6/mmm,A4B8C_hP39_191_o_ehijk_ad:Cu-Ga-Sm,39.0,A4B8C_hP39_191_o_ehijk_ad:Cu-Ga-Sm +mp-1219397,Sm8(Ga16Cu)3,-3.642183078,-0.3304048039,0.0,-0.00514436,GGA,P-42m,A3B48C8_tP59_111_abc_4m8n_2g2h:Cu-Ga-Sm,59.0,"Invalid WP multiplicities - A3B48C8_tP59_111_abc_14m32n_3g4h:Cu-Ga-Sm, expected Sm14Ga184Cu3 to be Sm8(Ga16Cu)3" +mp-1219222,Sm2Ga5Cu3,-4.156406382,-0.4688791428,0.0,-0.016299651,GGA,P-4m2,A3B5C2_tP10_115_abc_d2g_g:Cu-Ga-Sm,10.0,"Invalid WP multiplicities - A3B5C2_tP10_115_abc_d4g_g:Cu-Ga-Sm, expected Sm2(Ga3Cu)3 to be Sm2Ga5Cu3" +mp-1217789,SrSmGa3O7,-7.0124023354,-2.8358032825,0.0059257658,0.0059257658,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Ga-O-Sm-Sr,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Ga-O-Sm-Sr, expected SrSmGa5O19 to be SrSmGa3O7" +mp-758152,Li4Ti3Mn3(TeO8)2,-7.6061425189,-2.4546480704,0.0559629034,0.0559629034,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Te-Ti,56.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_2a2b_8a4b_2a_ab:Li-Mn-O-Te-Ti, expected Li4Ti3Mn6(TeO8)2 to be Li4Ti3Mn3(TeO8)2" +mp-756447,Ti3Mn3(TeO8)2,-8.0148680467,-2.3229450011,0.0888570677,0.0888570677,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Mn-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Mn-O-Te-Ti, expected Ti3Mn3(TeO10)2 to be Ti3Mn3(TeO8)2" +mp-754257,Ti2Mn3Te3O16,-7.4485595196,-1.9546442292,0.2063853807,0.2063853807,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Mn-O-Te-Ti,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Mn-O-Te-Ti, expected Ti2Mn3Te3O20 to be Ti2Mn3Te3O16" +mp-1232062,Sm2MgSe4,-5.3355541889,-1.7611115846,0.215638755,0.215638755,GGA,P-1,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Sm,28.0,AB4C2_aP28_2_2i_8i_4i:Mg-Se-Sm +mp-1232064,Sm2MgSe4,-5.5146099039,-1.9401672996,0.03658304,0.03658304,GGA,Pca2_1,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Sm,56.0,AB4C2_oP56_29_2a_8a_4a:Mg-Se-Sm +mp-1232059,Sm2MgSe4,-5.5116394686,-1.9371968642,0.0395534754,0.0395534754,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Sm,28.0,AB4C2_oP28_62_c_2cd_ac:Mg-Se-Sm +mp-1232061,Sm2MgSe4,-5.4693066514,-1.8948640471,0.0818862925,0.0818862925,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Mg-Se-Sm,28.0,AB4C2_oP28_62_c_4c_2c:Mg-Se-Sm +mp-1232110,Sm2MgSe4,-5.3347008343,-1.7602582299,0.2164921096,0.2164921096,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Sm,28.0,AB4C2_oP28_62_c_2cd_2c:Mg-Se-Sm +mp-1232057,Sm2MgSe4,-5.4723237186,-1.8978811142,0.0788692254,0.0788692254,GGA,I-42d,AB4C2_tI28_122_a_e_d:Mg-Se-Sm,14.0,AB4C2_tI28_122_a_e_d:Mg-Se-Sm +mp-1232072,Sm2MgSe4,-5.5127600993,-1.9383174949,0.0384328446,0.0384328446,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Mg-Se-Sm,14.0,AB4C2_cF56_227_a_e_d:Mg-Se-Sm +mp-1232154,SmMgSe3,-4.7896251025000005,-1.4283049789,0.3235572964,0.3235572964,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Sm,20.0,AB3C_mC20_12_g_ij_i:Mg-Se-Sm +mp-1237966,SmMgSe3,-4.747523801,-1.3862036774,0.3656585979,0.3656585979,GGA,C2/m,AB3C_mC20_12_g_ij_i:Mg-Se-Sm,10.0,AB3C_mC20_12_g_ij_i:Mg-Se-Sm +mp-1232201,SmMgSe3,-4.8487897347,-1.4874696111,0.2643926642,0.2643926642,GGA,R-3,AB3C_hR30_148_c_f_c:Mg-Se-Sm,30.0,AB3C_hR30_148_c_f_c:Mg-Se-Sm +mp-1045827,Ba2ZnFe2CuF14,-5.6186284508,-2.9737460445,0.030757064,0.030757064,GGA+U,C2/c,A2BC14D2E_mC80_15_f_a_7f_f_e:Ba-Cu-F-Fe-Zn,40.0,"Invalid WP multiplicities - A2BC14D2E_mC80_15_f_c_24f_f_e:Ba-Cu-F-Fe-Zn, expected Ba2ZnFe2CuF48 to be Ba2ZnFe2CuF14" +mp-554362,BaZnFeF7,-5.6193163997,-3.1164071465,0.0066051095,0.0066051095,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Fe-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Fe-Zn, expected BaZnFeF23 to be BaZnFeF7" +mp-1356655,Ba2ZnFe2F14,-5.4417205789,-2.873381555,0.0150987774,0.0150987774,GGA+U,Pc,A2B14C2D_mP38_7_2a_14a_2a_a:Ba-F-Fe-Zn,38.0,"Invalid WP multiplicities - A2B14C2D_mP38_7_3a_27a_4a_a:Ba-F-Fe-Zn, expected Ba3ZnFe4F27 to be Ba2ZnFe2F14" +mp-1076485,Ca7MgMn8O24,-7.5436658857,-2.3522626203,0.1716281012,0.1716281012,GGA+U,Pm-3m,A7BC8D24_cP40_221_acd_b_g_ij:Ca-Mg-Mn-O,40.0,"Invalid WP multiplicities - A7BC8D24_cP40_221_a3c3d_b_g_6i6j:Ca-Mg-Mn-O, expected Ca19MgMn8O144 to be Ca7MgMn8O24" +mp-1032879,CaMg6MnO8,-6.6374124862,-2.8659871636,0.0853568962,0.0853568962,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ca-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ca-Mg-Mn-O, expected CaMg6MnO12 to be CaMg6MnO8" +mp-1032915,CaMg6MnO8,-6.6546521069,-2.8832267842,0.0681172756,0.0681172756,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ca-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ca-Mg-Mn-O, expected CaMg6MnO12 to be CaMg6MnO8" +mp-1076897,Ca7MgMn8O20,-7.7481637278,-2.5295699563,0.0956970072,0.0956970072,GGA+U,P1,A7BC8D20_aP144_1_28a_4a_32a_80a:Ca-Mg-Mn-O,144.0,A7BC8D20_aP144_1_28a_4a_32a_80a:Ca-Mg-Mn-O +mp-1023274,CaMg6Mn,-2.4646906013,0.1314713328,0.1835962656,0.1835962656,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Mn, expected CaMg12Mn to be CaMg6Mn" +mp-1023286,CaMg6Mn,-2.4603909581,0.1357709759,0.1878959087,0.1878959087,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Mn, expected CaMg12Mn to be CaMg6Mn" +mp-1028174,CaMg14Mn,-2.0327758512,0.0654451408,0.1038317544,0.1038317544,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Mn, expected CaMg18Mn to be CaMg14Mn" +mp-1028155,CaMg14Mn,-2.0297674188,0.0684535733,0.1068401869,0.1068401869,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Mn, expected CaMg26Mn to be CaMg14Mn" +mp-1036433,CaMg14MnO16,-6.483809225,-2.9613543734,0.0413378063,0.0413378063,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ca-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ca-Mg-Mn-O, expected CaMg18MnO20 to be CaMg14MnO16" +mp-1036400,CaMg14MnO16,-6.4872294769,-2.9647746252,0.0379175544,0.0379175544,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ca-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ca-Mg-Mn-O, expected CaMg30MnO32 to be CaMg14MnO16" +mp-1037768,CaMg30MnO32,-6.4090305142,-3.0110608981,0.0173053414,0.0173053414,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ca-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ca-Mg-Mn-O, expected CaMg110MnO72 to be CaMg30MnO32" +mp-1037802,CaMg30MnO32,-6.407717735,-3.0097481189,0.0186181206,0.0186181206,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ca-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ca-Mg-Mn-O, expected CaMg90MnO80 to be CaMg30MnO32" +mp-1517534,NaEuZrTiO6,-8.97192666,-3.2016414592,0.1240075732,0.1240075732,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Ti-Zr +mp-1228344,Ba6Ho2Al2Rh2O15,-7.275968037,-2.9389767241,0.0316712615,0.0316712615,GGA,Amm2,A2B6C2D15E2_oC54_38_c_ab2c_c_a2ce2f_c:Al-Ba-Ho-O-Rh,27.0,"Invalid WP multiplicities - A2B6C2D15E2_oC54_38_c_ab2c_c_a4ce5f_c:Al-Ba-Ho-O-Rh, expected Ba6Ho2Al2Rh2O31 to be Ba6Ho2Al2Rh2O15" +mp-1178547,AlRhO3,-7.413761879,-2.2237719123,0.0432350841,0.0432350841,GGA,P6_3/mmc,AB3C_hP10_194_c_bf_a:Al-O-Rh,10.0,"Invalid WP multiplicities - AB3C_hP10_194_c_2b3f_a:Al-O-Rh, expected AlRhO8 to be AlRhO3" +mp-1228417,Ba6Al2Rh4O15,-6.9090549526,-2.3659970471,0.1133668059,0.1133668059,GGA,Amm2,A2B6C15D4_oC54_38_c_ab2c_a2ce2f_2c:Al-Ba-O-Rh,27.0,"Invalid WP multiplicities - A2B6C15D4_oC54_38_c_ab2c_a4ce4f_2c:Al-Ba-O-Rh, expected Ba6Al2Rh4O27 to be Ba6Al2Rh4O15" +mp-1212088,HoAlRh,-6.1620506658,-0.9312864758,0.0,-0.1118501747,GGA,Pnma,ABC_oP12_62_c_c_c:Al-Ho-Rh,12.0,ABC_oP12_62_c_c_c:Al-Ho-Rh +mp-1220905,NaTmTi2O6,-8.5793205075,-3.4523728057,0.0129294241,0.0129294241,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Na-O-Ti-Tm,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_3a6b_b_a:Na-O-Ti-Tm, expected NaTmTi2O15 to be NaTmTi2O6" +mp-1221233,Na3TmTi2Nb2O12,-8.329872518,-3.1400090204,0.015867427,0.015867427,GGA,P1,A3B2C12D2E_aP20_1_3a_2a_12a_2a_a:Na-Nb-O-Ti-Tm,20.0,A3B2C12D2E_aP20_1_3a_2a_12a_2a_a:Na-Nb-O-Ti-Tm +mp-1173701,Na3TmTi2Nb2O12,-8.3353052138,-3.1454417161,0.0104347312,0.0104347312,GGA,Pmc2_1,A3B2C12D2E_oP40_26_ac_c_ab5c_c_b:Na-Nb-O-Ti-Tm,40.0,"Invalid WP multiplicities - A3B2C12D2E_oP40_26_ac_c_2a2b12c_c_b:Na-Nb-O-Ti-Tm, expected Na3TmTi2Nb2O28 to be Na3TmTi2Nb2O12" +mp-1078551,Ba2NdMoO6,-7.657177476,-2.743989507,0.239512778,0.1943988079,GGA+U,P-1,A2BCD6_aP10_2_i_a_e_3i:Ba-Mo-Nd-O,10.0,A2BCD6_aP10_2_i_a_e_3i:Ba-Mo-Nd-O +mp-19389,Ba2NdMoO6,-7.896690254,-2.983502285,0.0,-0.0451139701,GGA+U,I4/m,A2BCD6_tI20_87_d_a_b_eh:Ba-Mo-Nd-O,10.0,A2BCD6_tI20_87_d_a_b_eh:Ba-Mo-Nd-O +mp-18904,Ba2NdMoO6,-7.855275213,-2.942087244,0.041415041,-0.0036989291,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mo-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mo-Nd-O +mp-2226150,Ba2NdMgMoO6,-7.4211234791,-2.8091089573,0.1327112606,0.1327112606,GGA+U,P1,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Mg-Mo-Nd-O,11.0,A2BCDE6_aP11_1_2a_a_a_a_6a:Ba-Mg-Mo-Nd-O +mp-622521,BaNd2(MoO4)4,-8.4460849796,-2.6206549959,0.00438551,0.00438551,GGA+U,C2/c,AB4C2D16_mC92_15_e_2f_f_8f:Ba-Mo-Nd-O,46.0,"Invalid WP multiplicities - AB4C2D16_mC92_15_e_6f_f_28f:Ba-Mo-Nd-O, expected BaNd2(Mo3O14)4 to be BaNd2(MoO4)4" +mp-1177269,Li4Ti3Fe2Co3O16,-7.5679731868,-2.2560380903,0.0696882353,0.0696882353,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Ti,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Ti +mp-758015,Li4Ti3Fe2Co3O16,-7.5864632268,-2.2745281303,0.0511981953,0.0511981953,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Co-Fe-Li-O-Ti,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Co-Fe-Li-O-Ti +mp-759038,Li4Ti2Fe3Co3O16,-7.3671883686,-2.0347343723,0.0723333719,0.0723333719,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-Ti, expected Li4Ti2Fe3Co3O20 to be Li4Ti2Fe3Co3O16" +mp-774870,Li4TiFe4(Co2O9)2,-7.0991866315,-1.7158015893,0.0970856783,0.0970856783,GGA+U,Pmc2_1,A4B4C4D18E_oP62_26_2a2b_2a2b_4a_8a10b_a:Co-Fe-Li-O-Ti,62.0,"Invalid WP multiplicities - A4B4C4D18E_oP62_26_4a2b_4a2b_6a_14a20b_a:Co-Fe-Li-O-Ti, expected Li6TiFe6(Co3O17)2 to be Li4TiFe4(Co2O9)2" +mp-768930,Li4Ti3Fe3(CoO8)2,-7.5966168718,-2.2360495105,0.1238789461,0.1238789461,GGA+U,P1,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Fe-Li-O-Ti,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Co-Fe-Li-O-Ti +mp-770327,Li4Ti3Fe3(CoO8)2,-7.5953029004,-2.234735539,0.1251929175,0.1251929175,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Co-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Co-Fe-Li-O-Ti, expected Li4Ti3Fe3(CoO10)2 to be Li4Ti3Fe3(CoO8)2" +mp-775160,Li4Ti2Fe4(CoO6)3,-7.3624921869,-1.953714428,0.0875631604,0.0875631604,GGA+U,Pbam,A3B4C4D18E2_oP62_55_ah_gh_2g_4g5h_g:Co-Fe-Li-O-Ti,62.0,"Invalid WP multiplicities - A3B4C4D18E2_oP62_55_2a2h_3g2h_5g_12g20h_g:Co-Fe-Li-O-Ti, expected Li5TiFe5Co3O32 to be Li4Ti2Fe4(CoO6)3" +mp-1177291,Li4Ti4Fe4CoO18,-7.8499825623,-2.3904193697,0.1076388603,0.1076388603,GGA+U,Pbam,AB4C4D18E4_oP62_55_a_gh_2g_4g5h_gh:Co-Fe-Li-O-Ti,62.0,"Invalid WP multiplicities - AB4C4D18E4_oP62_55_a_3g2h_5g_12g20h_3g2h:Co-Fe-Li-O-Ti, expected Li10Ti10Fe10CoO64 to be Li4Ti4Fe4CoO18" +mp-778830,Li10Ti2Fe3Co3O16,-6.8461780571,-2.1178766131,0.09621804,0.09621804,GGA+U,P1,A3B3C10D16E2_aP34_1_3a_3a_10a_16a_2a:Co-Fe-Li-O-Ti,34.0,A3B3C10D16E2_aP34_1_3a_3a_10a_16a_2a:Co-Fe-Li-O-Ti +mp-1215695,Zn3GaAgS5,-3.961078708,-0.928865489,0.0131413357,0.0131413357,GGA,P1,ABC5D3_aP20_1_2a_2a_10a_6a:Ag-Ga-S-Zn,20.0,ABC5D3_aP20_1_2a_2a_10a_6a:Ag-Ga-S-Zn +mp-1215684,Zn3CdGa2(AgS4)2,-3.9750237325,-0.880334759,0.0091069664,0.0091069664,GGA,P1,A2BC2D8E3_aP16_1_2a_a_2a_8a_3a:Ag-Cd-Ga-S-Zn,16.0,A2BC2D8E3_aP16_1_2a_a_2a_8a_3a:Ag-Cd-Ga-S-Zn +mp-1215798,ZnCd4(GaS2)10,-4.3488204689,-0.9784987485,0.0032098831,0.0032098831,GGA,P1,A4B10C20D_aP35_1_4a_10a_20a_a:Cd-Ga-S-Zn,35.0,A4B10C20D_aP35_1_4a_10a_20a_a:Cd-Ga-S-Zn +mp-1215519,ZnCdAg2,-1.9318100225,0.0301263217,0.0926456021,0.0926456021,GGA,Cmm2,A2BC_oC8_35_ab_a_b:Ag-Cd-Zn,4.0,A2BC_oC8_35_ab_a_b:Ag-Cd-Zn +mp-1097257,ZnCdAg2,-1.07397731,0.8879590342,0.9504783146,0.9504783146,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Cd-Zn,4.0,A2BC_oI8_71_e_a_b:Ag-Cd-Zn +mp-1215496,ZnCdAg2,-2.01627538,-0.0543390358,0.0081802446,0.0081802446,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ag-Cd-Zn,4.0,A2BC_tP4_123_h_a_b:Ag-Cd-Zn +mp-1215615,ZnCd(GaS2)4,-4.3738107843,-0.9890524704,0.0068026836,0.0068026836,GGA,P-4,AB4C8D_tP14_81_a_bcg_2h_d:Cd-Ga-S-Zn,14.0,"Invalid WP multiplicities - AB4C8D_tP14_81_a_bcg_7h_d:Cd-Ga-S-Zn, expected ZnCd(GaS7)4 to be ZnCd(GaS2)4" +mp-1048064,Sr2GaSn2O7,-6.4602882379,-2.3725342698,0.1825812332,0.1825812332,GGA,C2,AB7C2D2_mC48_5_c_7c_2c_2c:Ga-O-Sn-Sr,24.0,"Invalid WP multiplicities - AB7C2D2_mC48_5_c_14c_3c_2c:Ga-O-Sn-Sr, expected Sr2GaSn3O14 to be Sr2GaSn2O7" +mp-1048033,Sr2AlGaSn2O7,-6.4172558104,-2.3558232375,0.3014236514,0.3014236514,GGA,P1,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sn-Sr,26.0,"Invalid WP multiplicities - ABC7D2E2_mC52_8_b_2a_2a11b_2b_3b:Al-Ga-O-Sn-Sr, expected Sr3AlGa(SnO6)2 to be Sr2AlGaSn2O7" +mp-571154,Sr11Al4Sn3,-2.9337701353,-0.4006897535,0.0011546589,0.0011546589,GGA,Fm-3m,A4B3C11_cF144_225_f_e_abfh:Al-Sn-Sr,36.0,"Invalid WP multiplicities - A4B3C11_cF144_225_f_e_ab6f7h:Al-Sn-Sr, expected Sr67Al4Sn3 to be Sr11Al4Sn3" +mp-7376,Sr3(AlSn)2,-3.4488098743,-0.50898477,0.0,-0.0035308159,GGA,Immm,A2B2C3_oI14_71_e_f_af:Al-Sn-Sr,7.0,A2B2C3_oI14_71_e_f_af:Al-Sn-Sr +mp-1227624,Fe2Cu13(GeS8)2,-4.9343920271,-0.5204834602,0.0185595841,0.0185595841,GGA,P-43m,A13B2C2D16_cP66_215_abfgh_e_e_2e2i:Cu-Fe-Ge-S,66.0,A13B2C2D16_cP66_215_abfgh_e_e_2e2i:Cu-Fe-Ge-S +mp-1215760,ZnFeCu4(GeS4)2,-4.92042072,-0.6414053359,0.0171837009,0.0171837009,GGA,Amm2,A4BC2D8E_oC32_38_f_a_ab_2cde_b:Cu-Fe-Ge-S-Zn,16.0,"Invalid WP multiplicities - A4BC2D8E_oC32_38_f_a_ab_4c2d2e_b:Cu-Fe-Ge-S-Zn, expected ZnFeCu4(GeS8)2 to be ZnFeCu4(GeS4)2" +mp-1225065,FeCu2GeS4,-5.30894539,-0.5792876559,0.0388267281,0.0388267281,GGA,I-4,A2BCD4_tI16_82_ac_b_d_g:Cu-Fe-Ge-S,8.0,A2BCD4_tI16_82_ac_b_d_g:Cu-Fe-Ge-S +mp-22053,FeCu2GeS4,-5.3104052112,-0.5807474772,0.0373669069,0.0373669069,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-Ge-S,8.0,A2BCD4_tI16_121_d_a_b_i:Cu-Fe-Ge-S +mp-1225017,FeCu6GeS8,-4.9796311406,-0.5558881394,0.0,-0.0134909718,GGA,F-43m,A6BCD8_cF64_216_g_a_b_2e:Cu-Fe-Ge-S,16.0,"Invalid WP multiplicities - A6BCD8_cF64_216_g_a_b_8e:Cu-Fe-Ge-S, expected FeCu6GeS32 to be FeCu6GeS8" +mp-707411,Zn3Fe15Cu39(Ge3S32)2,-5.1517081281,-0.5598217681000001,0.0530674265,0.0530674265,GGA,P1,A39B15C6D64E3_aP127_1_39a_15a_6a_64a_3a:Cu-Fe-Ge-S-Zn,127.0,A39B15C6D64E3_aP127_1_39a_15a_6a_64a_3a:Cu-Fe-Ge-S-Zn +mp-1221232,Na3SmTi2Nb2O12,-8.3303781345,-3.1283771013,0.0119207331,0.0119207331,GGA,P1,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Sm-Ti,20.0,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Sm-Ti +mp-1173732,Na3SmTi2Nb2O12,-8.3392338435,-3.1372328103,0.0030650241,0.0030650241,GGA,Pmc2_1,A3B2C12DE2_oP40_26_ac_c_ab5c_b_c:Na-Nb-O-Sm-Ti,40.0,"Invalid WP multiplicities - A3B2C12DE2_oP40_26_ac_c_2a2b12c_b_c:Na-Nb-O-Sm-Ti, expected Na3SmTi2Nb2O28 to be Na3SmTi2Nb2O12" +mp-1106082,LiCeSi2,-5.222157565,-0.5489955446,0.0,-0.0411326895,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ce-Li-Si,16.0,ABC2_oP16_62_c_c_2c:Ce-Li-Si +mp-560000,Ce2Ti2SiO9,-9.1479953671,-3.6049468832,0.0,-0.0065899702,GGA,C2/m,A2B9CD2_mC56_12_2i_g4i2j_i_hi:Ce-O-Si-Ti,28.0,"Invalid WP multiplicities - A2B9CD2_mC56_12_2i_2g8i8j_i_h2i:Ce-O-Si-Ti, expected Ce2Ti3SiO26 to be Ce2Ti2SiO9" +mp-1210884,Li2Ce2Si3,-5.0957888264,-0.5300776645,0.0,-0.0333005898,GGA,Cmcm,A2B2C3_oC28_63_2c_f_cf:Ce-Li-Si,14.0,A2B2C3_oC28_63_2c_f_cf:Ce-Li-Si +mp-1520768,LiCeTi4O12,-8.5039839078,-3.0159703176,0.1809053904,0.1809053904,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ce-Li-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ce-Li-O-Ti, expected LiCeTi4O18 to be LiCeTi4O12" +mp-865011,Mn2NbAl,-8.299269125,-0.2565412615,0.0,-0.0054791106,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Mn-Nb,4.0,AB2C_cF16_225_a_c_b:Al-Mn-Nb +mp-1221748,Mn8Nb3Al,-9.1372070258,-0.191739252,0.0,-0.0347519309,GGA,P3m1,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Nb,12.0,AB8C3_hP12_156_a_2b2d_a2c:Al-Mn-Nb +mp-1047534,Ca2MnNb2O8,-8.6467373077,-3.0352500137,0.0602413548,0.0602413548,GGA+U,C2/c,A2BC2D8_mC52_15_f_e_f_4f:Ca-Mn-Nb-O,26.0,"Invalid WP multiplicities - A2BC2D8_mC52_15_f_e_f_5f:Ca-Mn-Nb-O, expected Ca2MnNb2O10 to be Ca2MnNb2O8" +mp-1048096,Ba2AlSn3O7,-6.1144222408,-1.9421866828,0.6049786066,0.6049786066,GGA,Pmmm,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-Sn,13.0,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-Sn +mp-1048159,BaAlSn4O7,-6.3157027173,-1.982652012,0.3215035124,0.3215035124,GGA,P6_3mc,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-Sn,26.0,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-Sn +mp-1147655,Ba4Cu3SnO9,-6.1540250359,-2.1244197402,0.0488655412,0.0488655412,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Sn,34.0,"Invalid WP multiplicities - A4B3C9D_cP34_223_e_b_3c3f_a:Ba-Cu-O-Sn, expected Ba4Cu3SnO27 to be Ba4Cu3SnO9" +mp-1042344,Ba2AlSn3O8,-6.3557780836,-2.1282244432,0.4699059754,0.4699059754,GGA,P4/mmm,AB2C8D3_tP14_123_c_h_egi_bg:Al-Ba-O-Sn,14.0,"Invalid WP multiplicities - AB2C8D3_tP14_123_c_h_2e2g2i_b2g:Al-Ba-O-Sn, expected Ba2AlSn5O16 to be Ba2AlSn3O8" +mp-1045632,AlCu3(SnO3)4,-6.141214373,-1.5691269832,0.3681354695,0.3681354695,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Sn,20.0,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-Sn +mp-1042199,BaAlCuSnO5,-6.2532896144,-1.9747592976,0.5443008776,0.5443008776,GGA,P4mm,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Sn,9.0,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-Sn +mp-754273,Li3Co(CuO2)4,-5.6576688381,-1.3573299153,0.0422792981,0.0422792981,GGA+U,C2/m,AB4C3D8_mC32_12_a_bcf_de_2ij:Co-Cu-Li-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_bde_c2f_3i2j:Co-Cu-Li-O, expected Li5Co(Cu2O7)2 to be Li3Co(CuO2)4" +mp-752567,Li3Co2Cu3O10,-5.8189896961,-1.2796612899,0.0705619279,0.0705619279,GGA+U,P-1,A2B3C3D10_aP18_2_i_bi_di_5i:Co-Cu-Li-O,18.0,"Invalid WP multiplicities - A2B3C3D10_aP18_2_i_bi_d2i_9i:Co-Cu-Li-O, expected Li5Co2(CuO6)3 to be Li3Co2Cu3O10" +mp-1399250,Li3Co2Cu3O10,-3.7491046717,0.7902237346000001,2.1404469524,2.1404469524,GGA+U,P-1,A2B3C3D10_aP18_2_i_bi_ei_5i:Co-Cu-Li-O,18.0,"Invalid WP multiplicities - A2B3C3D10_aP18_2_i_bi_e2i_9i:Co-Cu-Li-O, expected Li5Co2(CuO6)3 to be Li3Co2Cu3O10" +mp-771177,Li5Co2Cu5O12,-5.7023177417,-1.3849199163,0.0821175937,0.0821175937,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2bc_a2c_6c:Co-Cu-Li-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2bc_a4c_6c:Co-Cu-Li-O, expected Li9Co2Cu5O12 to be Li5Co2Cu5O12" +mp-769624,Li3Co3CuO8,-6.195061682,-1.4800991257,0.0809534476,0.0809534476,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Co-Cu-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_c2h:Co-Cu-Li-O, expected Li3Co3CuO14 to be Li3Co3CuO8" +mp-760397,LiCoCuO4,-5.9565908543,-1.2561334005,0.0652342916,0.0652342916,GGA+U,P2/m,ABCD4_mP7_10_d_b_c_mn:Co-Cu-Li-O,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_e_c_b_2m2n:Co-Cu-Li-O, expected LiCoCuO8 to be LiCoCuO4" +mp-756258,Li3Co4CuO8,-6.3475600544,-1.4830127956,0.1099711717,0.1099711717,GGA+U,C2/m,A4BC3D8_mC32_12_ade_c_bf_2ij:Co-Cu-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_ace_b_d2f_3i2j:Co-Cu-Li-O, expected Li5Co4CuO14 to be Li3Co4CuO8" +mp-766810,LiCo2CuO6,-6.196218147,-1.2057284076,0.0628082658,0.0628082658,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Cu-Li-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Cu-Li-O +mp-758532,LiCo2CuO6,-6.192875587,-1.2023858476,0.0661508258,0.0661508258,GGA+U,C2/m,A2BCD6_mC20_12_i_a_c_3i:Co-Cu-Li-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_6i:Co-Cu-Li-O, expected LiCo2CuO12 to be LiCo2CuO6" +mp-754017,Li4Fe2Co3Cu3O16,-6.2766819861,-1.3714917482,0.0576884366,0.0576884366,GGA+U,Cm,A3B3C2D4E16_mC56_8_ab_ab_2a_4a_8a4b:Co-Cu-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C2D4E16_mC56_8_ab_ab_2a_4a_8a6b:Co-Cu-Fe-Li-O, expected Li4Fe2Co3Cu3O20 to be Li4Fe2Co3Cu3O16" +mp-764915,Li5Co5(CuO6)2,-6.2025019538,-1.5089652378,0.1087488179,0.1087488179,GGA+U,C2,A5B2C5D12_mC48_5_a2bc_ab_a2c_6c:Co-Cu-Li-O,24.0,"Invalid WP multiplicities - A5B2C5D12_mC48_5_a2bc_ab_a4c_12c:Co-Cu-Li-O, expected Li9Co5(CuO12)2 to be Li5Co5(CuO6)2" +mp-758365,Li4Fe3Co2Cu3O16,-6.3222970068,-1.368474504,0.0904858213,0.0904858213,GGA+U,Cm,A2B3C3D4E16_mC56_8_2a_ab_ab_4a_8a4b:Co-Cu-Fe-Li-O,28.0,"Invalid WP multiplicities - A2B3C3D4E16_mC56_8_2a_ab_ab_4a_8a6b:Co-Cu-Fe-Li-O, expected Li4Fe3Co2Cu3O20 to be Li4Fe3Co2Cu3O16" +mp-753919,Li4Co3CuO8,-6.1509241394,-1.6113390636,0.0658933125,0.0658933125,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Co-Cu-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_ae_c2h:Co-Cu-Li-O, expected Li4Co3CuO14 to be Li4Co3CuO8" +mp-776391,Li4Fe3Co3(CuO8)2,-6.5029209336000005,-1.4416301764,0.064009565,0.064009565,GGA+U,Cm,A3B2C3D4E16_mC56_8_ab_2a_ab_4a_8a4b:Co-Cu-Fe-Li-O,28.0,A3B2C3D4E16_aP28_1_3a_2a_3a_4a_16a:Co-Cu-Fe-Li-O +mp-752862,Li5Co2Cu3O10,-5.7861402905,-1.5098524382,0.061906356,0.061906356,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_d2i_5i:Co-Cu-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_d4i_9i:Co-Cu-Li-O, expected Li9Co2(CuO6)3 to be Li5Co2Cu3O10" +mp-761730,LiCo3CuO8,-6.3093488738,-1.1626879037,0.0627204213,0.0627204213,GGA+U,C2/m,A3BCD8_mC26_12_be_a_c_2ij:Co-Cu-Li-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_a2f_b_c_3i4j:Co-Cu-Li-O, expected LiCo5CuO22 to be LiCo3CuO8" +mp-754066,Li3Co2CuO6,-6.0396704008,-1.5627751402,0.0893444783,0.0893444783,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Co-Cu-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_d2i_6i:Co-Cu-Li-O, expected Li5Co2CuO12 to be Li3Co2CuO6" +mp-773165,Li4Co5CuO12,-6.3153462123,-1.4682211374,0.0779799703,0.0779799703,GGA+U,C2/m,A5BC4D12_mC44_12_agh_d_j_2i2j:Co-Cu-Li-O,22.0,"Invalid WP multiplicities - A5BC4D12_mC44_12_a2gh_c_j_4i5j:Co-Cu-Li-O, expected Li4Co7CuO28 to be Li4Co5CuO12" +mp-1281222,Li2CoCuO4,-5.894259155,-1.5427435246,0.0591505787,0.0591505787,GGA+U,C2,ABC2D4_mC32_5_ab_c_abc_4c:Co-Cu-Li-O,16.0,ABC2D4_aP16_1_2a_2a_4a_8a:Co-Cu-Li-O +mp-1275349,Li2CoCuO4,-5.8669076006,-1.5153919702,0.0865021331,0.0865021331,GGA+U,Cm,ABC2D4_mC32_8_2a_2a_4a_8a:Co-Cu-Li-O,16.0,ABC2D4_mC32_8_2a_2a_4a_8a:Co-Cu-Li-O +mp-1283607,Li2CoCuO4,-5.8668278731,-1.5153122427,0.0865818606,0.0865818606,GGA+U,Cm,ABC2D4_mC32_8_2a_2a_4a_8a:Co-Cu-Li-O,16.0,ABC2D4_mC32_8_2a_2a_4a_8a:Co-Cu-Li-O +mp-753366,Li2CoCuO4,-5.912265105,-1.5607494746,0.0411446287,0.0411446287,GGA+U,Imma,ABC2D4_oI32_74_a_c_bd_hi:Co-Cu-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oI32_74_a_c_2b2d_3h4i:Co-Cu-Li-O, expected Li4CoCuO14 to be Li2CoCuO4" +mp-755354,Li2CoCuO4,-5.8637857013,-1.5122700708,0.0896240325,0.0896240325,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Co-Cu-Li-O,16.0,ABC2D4_tI16_119_a_c_bd_ef:Co-Cu-Li-O +mp-12427,Sr2TaGaO6,-7.973073159,-3.1785738763,0.0,-0.0008459282,GGA,I4/m,AB6C2D_tI20_87_a_eh_d_b:Ga-O-Sr-Ta,10.0,AB6C2D_tI20_87_a_eh_d_b:Ga-O-Sr-Ta +mp-16136,Sr3TaGa3(SiO7)2,-7.7142314939,-3.1005434907,0.0,-0.0170095999,GGA,P321,A3B14C2D3E_hP23_150_f_d2g_d_e_a:Ga-O-Si-Sr-Ta,23.0,"Invalid WP multiplicities - A3B14C2D3E_hP23_150_f_d3g_d_e_a:Ga-O-Si-Sr-Ta, expected Sr3TaGa3(SiO10)2 to be Sr3TaGa3(SiO7)2" +mp-581641,Ba2CaFe2CuF14,-5.9310380385,-3.2488628187,0.005849728,0.005849728,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Fe,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-Fe, expected Ba2CaFe2CuF48 to be Ba2CaFe2CuF14" +mp-1047946,BaCaFeF7,-6.152099455,-3.5746045748,0.0347917863,0.0347917863,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Fe,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Fe, expected BaCaFeF23 to be BaCaFeF7" +mp-1358947,Ba4CaFe4Cu2F28,-5.737712931,-3.0381896256,0.0317753467,0.0317753467,GGA+U,C2,A4BC2D28E4_mC78_5_2c_a_c_14c_2c:Ba-Ca-Cu-F-Fe,39.0,"Invalid WP multiplicities - A4BC2D28E4_mC78_5_3c_a_c_25c_3c:Ba-Ca-Cu-F-Fe, expected Ba6CaFe6Cu2F50 to be Ba4CaFe4Cu2F28" +mp-542807,Cu2Te2Br2O5,-5.0149313314,-1.1672472093,0.0186372834,0.0186372834,GGA,P-4,A2B2C5D2_tP22_81_h_h_g2h_h:Br-Cu-O-Te,22.0,A2B2C5D2_tP22_81_h_h_g2h_h:Br-Cu-O-Te +mp-559895,ErCuTe2BrO6,-6.1716868909,-1.972896176,0.0034269882,0.0034269882,GGA,P2_1/c,ABCD6E2_mP44_14_e_e_e_6e_2e:Br-Cu-Er-O-Te,44.0,"Invalid WP multiplicities - ABCD6E2_mP44_14_e_e_e_20e_4e:Br-Cu-Er-O-Te, expected ErCuTe4BrO20 to be ErCuTe2BrO6" +mp-572313,Cu3Te2(BrO3)2,-5.0867561054,-1.1351852804,0.0133986887,0.0133986887,GGA,C2/m,A2B3C6D2_mC26_12_i_ai_ij_i:Br-Cu-O-Te,13.0,"Invalid WP multiplicities - A2B3C6D2_mC26_12_i_a2i_2ij_i:Br-Cu-O-Te, expected Cu5Te2(BrO4)2 to be Cu3Te2(BrO3)2" +mp-1517031,BaCaGdNbO6,-9.1798865733,-3.4016731365,0.0583275286,0.0583275286,GGA,P222,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Gd-Nb-O,40.0,ABCDE6_oP40_16_abch_defg_u_u_6u:Ba-Ca-Gd-Nb-O +mp-1516983,BaCaGdNbO6,-9.088813685,-3.3106002482,0.1494004169,0.1494004169,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Gd-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Gd-Nb-O +mp-1523085,Ba2InBiO6,-6.3029089055,-2.2918834048,0.0,-0.0450933874,GGA,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-In-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-In-O +mp-1228393,Ba2InBiO6,-6.300334384,-2.2893088832,0.0025745215,-0.0425188659,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-In-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-In-O +mp-1228372,Ba4InBiO6,-5.8399042808,-2.1775538735,0.277487624,0.277487624,GGA,P4/mmm,A4BCD6_tP12_123_gh_a_d_efg:Ba-Bi-In-O,12.0,"Invalid WP multiplicities - A4BCD6_tP12_123_g2h_a_d_2e2fg:Ba-Bi-In-O, expected Ba6InBiO10 to be Ba4InBiO6" +mp-1523047,BaEuInBiO6,-7.1856283905,-2.3408002037,0.0769988184,0.0769988184,GGA,P-1,ABCDE6_aP20_2_i_ah_i_be_6i:Ba-Bi-Eu-In-O,20.0,"Invalid WP multiplicities - ABCDE6_aP20_2_i_ah_i_be_12i:Ba-Bi-Eu-In-O, expected BaEuInBiO12 to be BaEuInBiO6" +mp-1523076,BaEuInBiO6,-7.108285366,-2.2634571792,0.1543418429,0.1543418429,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-In-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Eu-In-O +mp-1520698,CaDy(NiO3)4,-6.0172969217,-1.0676748119,0.4103457785,0.4103457785,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ca-Dy-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ca-Dy-Ni-O, expected CaDy(Ni2O9)2 to be CaDy(NiO3)4" +mp-1225478,Eu2MnSbO7,-8.846530195,-2.6254537304000003,0.0,-0.0441937893,GGA+U,Imma,A2BC7D_oI44_74_ac_b_3ej_d:Eu-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2BC7D_oI44_74_ac_b_5e2j_d:Eu-Mn-O-Sb, expected Eu2MnSbO13 to be Eu2MnSbO7" +mp-1225901,Eu2Mn3Sb3O14,-8.187251275,-2.2944924044,0.0090221431,0.0090221431,GGA+U,C2/m,A2B3C14D3_mC44_12_ac_bf_3i2j_de:Eu-Mn-O-Sb,22.0,"Invalid WP multiplicities - A2B3C14D3_mC44_12_ad_be_5i6j_cf:Eu-Mn-O-Sb, expected Eu2Mn3Sb3O34 to be Eu2Mn3Sb3O14" +mp-1219879,Pr2Mn3Sb3O14,-7.8341225464,-2.4391905889,0.0170387865,0.0170387865,GGA+U,C2/m,A3B14C2D3_mC44_12_abc_3i2j_f_de:Mn-O-Pr-Sb,22.0,"Invalid WP multiplicities - A3B14C2D3_mC44_12_abc_5i6j_e_df:Mn-O-Pr-Sb, expected Pr2Mn3Sb3O34 to be Pr2Mn3Sb3O14" +mp-1517197,PrEuMnSbO6,-8.428847012,-2.6279413765,0.131039688,0.131039688,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-Sb +mp-1204179,Eu10Mn6Sb13,-7.9648076641,-0.6813895306000001,0.0910102101,0.0910102101,GGA,C2/m,A10B6C13_mC116_12_2g2h3j_2i2j_5i4j:Eu-Mn-Sb,58.0,A10B6C13_mC116_12_2g2h3j_2i2j_5i4j:Eu-Mn-Sb +mp-1192218,Pr3Mn2Sb3O14,-7.8805532259,-2.6847626111,0.0,-0.0425798199,GGA+U,R-3m,A2B14C3D3_hR66_166_ab_c2h_d_e:Mn-O-Pr-Sb,22.0,A2B14C3D3_hR66_166_ab_c2h_d_e:Mn-O-Pr-Sb +mp-582227,Eu(MnSb)2,-7.668816314,-0.3010093412,0.1962115792,0.1962115792,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Eu-Mn-Sb,5.0,AB2C2_hP5_164_a_d_d:Eu-Mn-Sb +mp-1517224,NaCaEuFeO6,-7.166116288,-1.9925882429,0.1917130156,0.1917130156,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Eu-Fe-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Eu-Fe-Na-O +mp-560090,Mn2Ni6Te3PbO18,-6.7069825888,-1.5340555149,0.0,-0.0061212424,GGA+U,P6_3/m,A2B6C18DE3_hP60_176_f_i_2h2i_b_h:Mn-Ni-O-Pb-Te,60.0,"Invalid WP multiplicities - A2B6C18DE3_hP60_176_f_i_8h16i_b_h:Mn-Ni-O-Pb-Te, expected Mn2Ni6Te3PbO120 to be Mn2Ni6Te3PbO18" +mp-756438,Mn3Ni3(TeO8)2,-6.8456964629,-1.4181928345,0.0771800623,0.0771800623,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Mn-Ni-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Mn-Ni-O-Te, expected Mn3Ni3(TeO10)2 to be Mn3Ni3(TeO8)2" +mp-774607,Mn3Ni2Te3O16,-6.7858150742,-1.4681793952,0.1337516695,0.1337516695,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Mn-Ni-O-Te,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Mn-Ni-O-Te, expected Mn3Ni2Te3O20 to be Mn3Ni2Te3O16" +mp-1221364,MnNiTe2,-5.6526243975,-0.3454334578,0.0334084305,0.0334084305,GGA,P-3m1,ABC2_hP4_164_a_b_d:Mn-Ni-Te,4.0,ABC2_hP4_164_a_b_d:Mn-Ni-Te +mp-1221598,MnTe(PbO3)2,-6.586851699,-1.6457769397000002,0.0320746549,0.0320746549,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-Te,20.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-Te +mp-1233068,Sm4Mg(Mo2O7)2,-8.5856436626,-2.7982146632,0.0904941085,0.0904941085,GGA+U,Cm,AB4C14D4_mC46_8_a_2ab_6a4b_2ab:Mg-Mo-O-Sm,23.0,"Invalid WP multiplicities - AB4C14D4_mC46_8_a_2a2b_6a8b_2a2b:Mg-Mo-O-Sm, expected Sm6Mg(Mo3O11)2 to be Sm4Mg(Mo2O7)2" +mp-1234530,Sm4Mg(Mo2O7)2,-8.53371177,-2.7462827705,0.1424260011,0.1424260011,GGA+U,Imm2,AB4C14D4_oI46_44_a_cd_3a3b2e_cd:Mg-Mo-O-Sm,23.0,"Invalid WP multiplicities - AB4C14D4_oI46_44_a_2cd_3a3b7e_cd:Mg-Mo-O-Sm, expected Sm4Mg(Mo3O17)2 to be Sm4Mg(Mo2O7)2" +mp-1095110,Ba2SmMoO6,-7.92697244,-3.0187406008,0.0,-0.0587732404,GGA+U,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Mo-O-Sm,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Mo-O-Sm +mp-19258,Ba2SmMoO6,-7.886229705,-2.9779978657,0.040742735,-0.0180305054,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Sm +mp-2227531,Ba2SmMgMoO6,-7.3408448309,-2.7333358816,0.2317347285,0.2317347285,GGA+U,P1,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Mo-O-Sm,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Mg-Mo-O-Sm +mp-1214393,BaSm2(MoO4)4,-8.4481840626,-2.627063757,0.0075383637,0.0075383637,GGA+U,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Sm,46.0,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Sm +mp-1517244,NaCaLaFeO6,-6.822801968,-2.1813733924,0.181025985,0.181025985,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Ca-Fe-La-Na-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Ca-Fe-La-Na-O +mp-1518897,SrCaEuMnO6,-7.819616865,-2.5401925957,0.1785409304,0.1785409304,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-Eu-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-Eu-Mn-O-Sr +mp-1032433,NaMg6MnO8,-6.4517827481,-2.7230495872,0.0752523958,0.0752523958,GGA+U,P4/mmm,A6BCD8_tP16_123_abi_c_d_efgh:Mg-Mn-Na-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_abi_c_d_2e2fgh:Mg-Mn-Na-O, expected NaMg6MnO12 to be NaMg6MnO8" +mp-1032451,NaMg6MnO8,-6.4395427213,-2.7108095603,0.0874924227,0.0874924227,GGA+U,P4/mmm,A6BCD8_tP16_123_aci_b_d_efgh:Mg-Mn-Na-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_aci_b_d_2e2fgh:Mg-Mn-Na-O, expected NaMg6MnO12 to be NaMg6MnO8" +mp-2228495,NaMgMn4O8,-7.7183123157,-2.065142587,0.096693197,0.096693197,GGA+U,Cm,AB4CD8_mC28_8_a_2ab_a_4a2b:Mg-Mn-Na-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_8_a_2ab_a_4a4b:Mg-Mn-Na-O, expected NaMgMn4O12 to be NaMgMn4O8" +mp-2228524,NaMgMn4O8,-7.7330048243,-2.0798350956,0.0820006884,0.0820006884,GGA+U,C2/m,AB4CD8_mC28_12_c_abe_d_2ij:Mg-Mn-Na-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_a_cde_b_4i4j:Mg-Mn-Na-O, expected NaMgMn4O24 to be NaMgMn4O8" +mp-2229032,Na4MgMn4O8,-6.7876015547,-1.8986631969,0.1578486741,0.1578486741,GGA+U,P1,AB4C4D8_aP17_1_a_4a_4a_8a:Mg-Mn-Na-O,17.0,AB4C4D8_aP17_1_a_4a_4a_8a:Mg-Mn-Na-O +mp-2229102,Na4MgMn4O8,-6.8132195306,-1.9242811728,0.1322306982,0.1322306982,GGA+U,P1,AB4C4D8_aP17_1_a_4a_4a_8a:Mg-Mn-Na-O,17.0,AB4C4D8_aP17_1_a_4a_4a_8a:Mg-Mn-Na-O +mp-2224446,Na4MgMn4O8,-6.7756584435,-1.8867200858,0.1697917853,0.1697917853,GGA+U,C2,AB4C4D8_mC34_5_a_2c_2c_4c:Mg-Mn-Na-O,17.0,"Invalid WP multiplicities - AB4C4D8_mC34_5_a_3c_4c_6c:Mg-Mn-Na-O, expected Na8MgMn6O12 to be Na4MgMn4O8" +mp-2228913,Na4MgMn4O8,-6.8004068388,-1.9114684811,0.14504339,0.14504339,GGA+U,Pm,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O,17.0,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O +mp-2229209,Na4MgMn4O8,-6.7870223647,-1.8980840069,0.1584278641,0.1584278641,GGA+U,Pm,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O,17.0,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O +mp-2229598,Na4MgMn4O8,-6.8226925282,-1.9337541705,0.1227577006,0.1227577006,GGA+U,Pm,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O,17.0,AB4C4D8_mP17_6_a_2a2b_2a2b_4a4b:Mg-Mn-Na-O +mp-2228954,Na4MgMn4O8,-6.7746734241,-1.8857350663,0.1707768047,0.1707768047,GGA+U,I-4m2,AB4C4D8_tI34_119_a_i_i_2i:Mg-Mn-Na-O,17.0,"Invalid WP multiplicities - AB4C4D8_tI34_119_a_i_i_4i:Mg-Mn-Na-O, expected Na4MgMn4O16 to be Na4MgMn4O8" +mp-2219299,Na4MgMn2O6,-6.0947640985,-1.8721068619,0.1927423935,0.1927423935,GGA+U,P1,AB2C4D6_aP13_1_a_2a_4a_6a:Mg-Mn-Na-O,13.0,AB2C4D6_aP13_1_a_2a_4a_6a:Mg-Mn-Na-O +mp-2220000,Na4MgMn2O6,-6.1531085415,-1.930451305,0.1343979504,0.1343979504,GGA+U,P1,AB2C4D6_aP13_1_a_2a_4a_6a:Mg-Mn-Na-O,13.0,AB2C4D6_aP13_1_a_2a_4a_6a:Mg-Mn-Na-O +mp-2219845,Na4MgMn2O6,-6.1057863015,-1.883129065,0.1817201904,0.1817201904,GGA+U,Cm,AB2C4D6_mC26_8_a_b_2ab_2a2b:Mg-Mn-Na-O,13.0,"Invalid WP multiplicities - AB2C4D6_mC26_8_a_b_2ab_2a4b:Mg-Mn-Na-O, expected Na4MgMn2O10 to be Na4MgMn2O6" +mp-1038043,NaMg30MnO32,-6.3656907983,-2.9783942226,0.0117114977,0.0117114977,GGA+U,P4/mmm,A30BCD32_tP64_123_abefjkst_c_d_ghilmnor:Mg-Mn-Na-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_ab2e2f4j4k3s3t_c_d_ghi4l4m4n4or:Mg-Mn-Na-O, expected NaMg90MnO80 to be NaMg30MnO32" +mp-1038011,NaMg30MnO32,-6.3601656541,-2.9728690784,0.0172366419,0.0172366419,GGA+U,P4/mmm,A30BCD32_tP64_123_acefjkst_b_d_ghilmnor:Mg-Mn-Na-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_acefjk6s6t_b_d_2g2h2i3l3m3n3or:Mg-Mn-Na-O, expected NaMg110MnO72 to be NaMg30MnO32" +mp-2210677,NaMgMnO2,-5.944961746,-1.5493221344,0.5218068517000001,0.5218068517000001,GGA+U,P1,ABCD2_aP5_1_a_a_a_2a:Mg-Mn-Na-O,5.0,ABCD2_aP5_1_a_a_a_2a:Mg-Mn-Na-O +mp-2240986,NaMgMnO2,-6.18680891,-1.7911692984,0.2799596877,0.2799596877,GGA+U,P1,ABCD2_aP5_1_a_a_a_2a:Mg-Mn-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Mg-Mn-Na-O +mp-2224996,NaMgMnO2,-6.233651642,-1.8380120304,0.2331169557,0.2331169557,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Mg-Mn-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Mg-Mn-Na-O +mp-2210744,NaMgMnO2,-5.580590094,-1.1849504824,0.8861785037000001,0.8861785037000001,GGA+U,C2/m,ABCD2_mC10_12_b_c_a_i:Mg-Mn-Na-O,5.0,ABCD2_mC10_12_a_c_b_i:Mg-Mn-Na-O +mp-2224460,NaMgMnO2,-5.678286472,-1.2826468604,0.7884821257,0.7884821257,GGA+U,C2/m,ABCD2_mC10_12_a_b_c_i:Mg-Mn-Na-O,5.0,ABCD2_mC10_12_b_a_c_i:Mg-Mn-Na-O +mp-2224241,NaMgMnO2,-5.579244798,-1.1836051864,0.8875237997000001,0.8875237997000001,GGA+U,C2/m,ABCD2_mC10_12_a_c_b_i:Mg-Mn-Na-O,5.0,ABCD2_mC10_12_b_c_a_i:Mg-Mn-Na-O +mp-2210611,NaMgMnO2,-6.222445682,-1.8268060704,0.2443229157,0.2443229157,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Mg-Mn-Na-O,5.0,ABCD2_hR15_160_a_a_a_2a:Mg-Mn-Na-O +mp-2226404,NaMgMnO2,-6.17942645,-1.7837868384000002,0.2873421477,0.2873421477,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Mg-Mn-Na-O,5.0,ABCD2_mC10_8_a_a_a_2a:Mg-Mn-Na-O +mp-2219045,Na2MgMn2O8,-6.4136064046,-1.6333855653,0.1795307333,0.1795307333,GGA+U,P1,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mn-Na-O,13.0,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Mn-Na-O +mp-2219393,Na2MgMn2O8,-6.2963305662,-1.5161097268,0.2968065718,0.2968065718,GGA+U,C2/m,AB2C2D8_mC26_12_b_i_ac_2ij:Mg-Mn-Na-O,13.0,"Invalid WP multiplicities - AB2C2D8_mC26_12_a_i_bc_4i2j:Mg-Mn-Na-O, expected Na2MgMn2O16 to be Na2MgMn2O8" +mp-2219449,Na2MgMn2O8,-6.4399031015,-1.6596822622,0.1532340364,0.1532340364,GGA+U,Amm2,AB2C2D8_oC26_38_a_ab_c_2cde:Mg-Mn-Na-O,13.0,"Invalid WP multiplicities - AB2C2D8_oC26_38_a_ab_c_3c2d2e:Mg-Mn-Na-O, expected Na2MgMn2O14 to be Na2MgMn2O8" +mp-2241417,Na2MgMn2O8,-6.4296474746,-1.6494266353,0.1634896633,0.1634896633,GGA+U,Amm2,AB2C2D8_oC26_38_a_ab_c_2cde:Mg-Mn-Na-O,13.0,"Invalid WP multiplicities - AB2C2D8_oC26_38_a_ab_c_3c2d2e:Mg-Mn-Na-O, expected Na2MgMn2O14 to be Na2MgMn2O8" +mp-2226407,Na2MgMn4O8,-7.3452569067,-1.980796807,0.1954016963,0.1954016963,GGA+U,P1,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O,15.0,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O +mp-2227237,Na2MgMn4O8,-7.4448071527,-2.080347053,0.0958514503,0.0958514503,GGA+U,P1,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O,15.0,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O +mp-2227302,Na2MgMn4O8,-7.421029086,-2.0565689863,0.119629517,0.119629517,GGA+U,P1,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O,15.0,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O +mp-2228763,Na2MgMn4O8,-7.3951513047,-2.030691205,0.1455072983,0.1455072983,GGA+U,P1,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O,15.0,AB4C2D8_aP15_1_a_4a_2a_8a:Mg-Mn-Na-O +mp-2226818,Na2MgMn4O8,-7.3454708673,-1.9810107677,0.1951877357,0.1951877357,GGA+U,Pm,AB4C2D8_mP15_6_a_2c_ab_ab3c:Mg-Mn-Na-O,15.0,"Invalid WP multiplicities - AB4C2D8_mP15_6_a_4c_ab_ab3c:Mg-Mn-Na-O, expected Na2MgMn8O8 to be Na2MgMn4O8" +mp-2226426,Na2MgMn4O8,-7.4327030173,-2.0682429177,0.1079555857,0.1079555857,GGA+U,C2/m,AB4C2D8_mC30_12_b_ace_i_2ij:Mg-Mn-Na-O,15.0,"Invalid WP multiplicities - AB4C2D8_mC30_12_a_bcf_i_4i2j:Mg-Mn-Na-O, expected Na2MgMn4O16 to be Na2MgMn4O8" +mp-2228046,Na2MgMn4O8,-7.2544438807,-1.889983781,0.2862147223,0.2862147223,GGA+U,I-4m2,AB4C2D8_tI30_119_a_i_bc_2i:Mg-Mn-Na-O,15.0,"Invalid WP multiplicities - AB4C2D8_tI30_119_a_i_bc_6i:Mg-Mn-Na-O, expected Na2MgMn4O24 to be Na2MgMn4O8" +mp-1028107,NaMg14Mn,-1.9658918825,0.0896369478,0.1105793372,0.1105793372,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Na,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Na, expected NaMg18Mn to be NaMg14Mn" +mp-1028097,NaMg14Mn,-1.97039675,0.0851320803,0.1060744697,0.1060744697,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Na,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Na, expected NaMg26Mn to be NaMg14Mn" +mp-2230893,Na8MgMn2O8,-5.4575140621,-1.7691970794,0.0980028661,0.0980028661,GGA+U,P1,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O,19.0,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O +mp-2231876,Na8MgMn2O8,-5.4643180268,-1.7760010441,0.0911989013,0.0911989013,GGA+U,P1,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O,19.0,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O +mp-2231040,Na8MgMn2O8,-5.4335464526,-1.7452294699,0.1219704755,0.1219704755,GGA+U,P1,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O,19.0,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O +mp-2232030,Na8MgMn2O8,-5.4613175921,-1.7730006094,0.0941993361,0.0941993361,GGA+U,P1,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O,19.0,AB2C8D8_aP19_1_a_2a_8a_8a:Mg-Mn-Na-O +mp-1022975,NaMg6Mn,-2.3297542069,0.1810234038,0.1989740232,0.1989740232,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Na,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Na, expected NaMg12Mn to be NaMg6Mn" +mp-1023000,NaMg6Mn,-2.3315861419,0.1791914688,0.1971420882,0.1971420882,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Na,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Na, expected NaMg12Mn to be NaMg6Mn" +mp-1036133,NaMg14MnO16,-6.3979931994,-2.8968844286,0.0292867126,0.0292867126,GGA+U,Pmmm,A14BCD16_oP32_47_abjlnpy_e_f_cdghikmoz:Mg-Mn-Na-O,32.0,"Invalid WP multiplicities - A14BCD16_oP32_47_abjl2n2py_e_f_cdghik2m2oz:Mg-Mn-Na-O, expected NaMg18MnO20 to be NaMg14MnO16" +mp-1036130,NaMg14MnO16,-6.3834446278,-2.882335857,0.0438352841,0.0438352841,GGA+U,P4/mmm,A14BCD16_tP32_123_ekln_b_d_acfjmo:Mg-Mn-Na-O,32.0,"Invalid WP multiplicities - A14BCD16_tP32_123_ek3l3n_b_d_acfj3m3o:Mg-Mn-Na-O, expected NaMg30MnO32 to be NaMg14MnO16" +mp-2217207,Na2MgMn2O4,-6.5894610744,-1.883225956,0.1958857706,0.1958857706,GGA+U,Pm,AB2C2D4_mP9_6_a_ab_ab_2a2b:Mg-Mn-Na-O,9.0,AB2C2D4_mP9_6_a_ab_ab_2a2b:Mg-Mn-Na-O +mp-2217453,Na2MgMn2O4,-6.5922304244,-1.885995306,0.1931164206,0.1931164206,GGA+U,Pm,AB2C2D4_mP9_6_a_ab_ab_2a2b:Mg-Mn-Na-O,9.0,AB2C2D4_mP9_6_a_ab_ab_2a2b:Mg-Mn-Na-O +mp-2217148,Na2MgMn2O4,-6.3490460356,-1.6428109171,0.4363008094,0.4363008094,GGA+U,Amm2,AB2C2D4_oC18_38_a_c_ab_2c:Mg-Mn-Na-O,9.0,"Invalid WP multiplicities - AB2C2D4_oC18_38_a_c_ab_3c:Mg-Mn-Na-O, expected Na2MgMn2O6 to be Na2MgMn2O4" +mp-2217217,NaMgMn2O4,-7.3616441087,-2.2324452622,0.0415721153,0.0415721153,GGA+U,P-1,AB2CD4_aP8_2_b_ch_d_2i:Mg-Mn-Na-O,8.0,"Invalid WP multiplicities - AB2CD4_aP8_2_b_ch_d_3i:Mg-Mn-Na-O, expected NaMgMn2O6 to be NaMgMn2O4" +mp-1218557,Sr3CoSb2O9,-6.771080191,-2.4407469219,0.0266496462,0.0266496462,GGA+U,Immm,AB9C2D3_oI60_71_g_e3ln_abh_fn:Co-O-Sb-Sr,30.0,"Invalid WP multiplicities - AB9C2D3_oI60_71_g_2e12l2n_abh_2f3n:Co-O-Sb-Sr, expected Sr8Co(SbO15)2 to be Sr3CoSb2O9" +mp-1281679,Sr2CoSbO6,-6.7874217618,-2.3577779408,0.0219161638,0.0219161638,GGA+U,P2/m,AB6CD2_mP40_10_acn_ik4m4no_bfm_jlo:Co-O-Sb-Sr,40.0,"Invalid WP multiplicities - AB6CD2_mP40_6_2a2b_8a8b8c_2a2b_8c:Co-O-Sb-Sr, expected Sr4CoSbO8 to be Sr2CoSbO6" +mp-1218837,Sr2CoSbO6,-6.8015133655,-2.3718695446,0.00782456,0.00782456,GGA+U,C2/m,AB6CD2_mC20_12_a_ij_d_i:Co-O-Sb-Sr,20.0,AB6CD2_mC20_12_a_ij_d_i:Co-O-Sb-Sr +mp-1208869,Sr2CoSbO6,-6.7953378220000005,-2.3656940011,0.0140001035,0.0140001035,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-Sb-Sr,20.0,AB6CD2_mP20_14_a_3e_d_e:Co-O-Sb-Sr +mp-1218895,Sr2CoSbO6,-6.342903097,-1.9132592761,0.4664348285,0.4664348285,GGA+U,Immm,AB6CD2_oI20_71_a_el_c_f:Co-O-Sb-Sr,10.0,"Invalid WP multiplicities - AB6CD2_oI20_71_a_2e2l_c_f:Co-O-Sb-Sr, expected Sr2CoSbO12 to be Sr2CoSbO6" +mp-1273949,Sr2CoSbO6,-6.7911270265,-2.3614832056,0.018210899,0.018210899,GGA+U,I4/mmm,AB6CD2_tI20_139_a_eh_b_d:Co-O-Sb-Sr,20.0,AB6CD2_tI20_139_a_eh_b_d:Co-O-Sb-Sr +mp-1205631,Sr2CoSbO6,-6.7846330585,-2.3549892376,0.024704867,0.024704867,GGA+U,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Co-O-Sb-Sr,40.0,"Invalid WP multiplicities - AB6CD2_tI20_139_a_e2h_b_d:Co-O-Sb-Sr, expected Sr2CoSbO10 to be Sr2CoSbO6" +mp-1042450,CaCoSb2O7,-6.7175579357,-1.9903996508,0.185904716,0.185904716,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Co-O-Sb,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_3e_2e_17e_7e:Ca-Co-O-Sb, expected Ca3Co2Sb7O17 to be CaCoSb2O7" +mp-1234045,CaCo5SbO8,-6.921478872,-1.5048322197,0.2177722907,0.2177722907,GGA+U,Cm,AB5C8D_mC30_8_a_a2b_4a2b_a:Ca-Co-O-Sb,15.0,"Invalid WP multiplicities - AB5C8D_mC30_8_a_a3b_4a3b_a:Ca-Co-O-Sb, expected CaCo7SbO10 to be CaCo5SbO8" +mp-1521619,CaEuNbFeO6,-8.915744287,-2.8643382672,0.0727613335,0.0727613335,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-Nb-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ca-Eu-Fe-Nb-O +mp-1517363,NaSrCaMnO6,-6.405733207,-2.0197565884,0.1875117158,0.1875117158,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ca-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ca-Mn-Na-O-Sr +mp-1218412,Sr4TaFeO8,-7.8287053064,-3.0673279962,0.0,-0.0067857486,GGA+U,Cmmm,AB8C4D_oC28_65_a_ghn_gh_c:Fe-O-Sr-Ta,14.0,"Invalid WP multiplicities - AB8C4D_oC28_65_a_2ghn_2gh_c:Fe-O-Sr-Ta, expected Sr6TaFeO10 to be Sr4TaFeO8" +mp-1218521,Sr3TaFeO7,-8.0263661975,-3.0244411826,0.0371952942,0.0371952942,GGA+U,I4mm,AB7C3D_tI24_107_a_3a2b_3a_a:Fe-O-Sr-Ta,12.0,AB7C3D_tI24_107_a_3a2b_3a_a:Fe-O-Sr-Ta +mp-1044002,LaTaFeO6,-8.8929896567,-2.7881076331,0.1631009426,0.1631009426,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-Ta,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_10a_a:Fe-La-O-Ta, expected LaTaFeO10 to be LaTaFeO6" +mp-1218631,Sr3LaTa2(FeO6)2,-8.6292303512,-3.1282128673,0.0043889562,0.0043889562,GGA+U,P1,A2BC12D3E2_aP20_1_2a_a_12a_3a_2a:Fe-La-O-Sr-Ta,40.0,"Invalid WP multiplicities - A2BC12D3E2_aP20_1_4a_a_12a_3a_2a:Fe-La-O-Sr-Ta, expected Sr3LaTa2(FeO3)4 to be Sr3LaTa2(FeO6)2" +mp-31760,Sr2TaFeO6,-8.392360151,-3.0536683496,0.0,-0.0516047082,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sr-Ta,40.0,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sr-Ta +mp-1218705,Sr2TaFeO6,-8.3841658885,-3.0454740871,0.0081942625,-0.0434104457,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Ta,20.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-Ta +mp-558429,NaFe4(MoO4)5,-8.195897101,-1.9170759374,0.0014758231,0.0014758231,GGA+U,P-1,A4B5CD20_aP60_2_4i_5i_i_20i:Fe-Mo-Na-O,60.0,"Invalid WP multiplicities - A4B5CD20_aP60_2_8i_10i_i_38i:Fe-Mo-Na-O, expected NaFe8(Mo5O19)2 to be NaFe4(MoO4)5" +mp-706231,NaSr9Fe5(MoO6)5,-7.701701124399999,-2.4715614382,0.0197978752,0.0197978752,GGA+U,C2,A5B5CD30E9_mC100_5_5a_5a_b_10a10c_9b:Fe-Mo-Na-O-Sr,50.0,"Invalid WP multiplicities - A5B5CD30E9_mC100_5_5a_5a_b_10a20c_9b:Fe-Mo-Na-O-Sr, expected NaSr9Fe5(MoO10)5 to be NaSr9Fe5(MoO6)5" +mp-1104887,NaFe2(MoO5)2,-7.6884780713,-1.7270944016,0.1428763445,0.1428763445,GGA+U,C2/m,A2B2CD10_mC30_12_f_i_a_3ij:Fe-Mo-Na-O,15.0,A2B2CD10_mC30_12_e_i_a_3ij:Fe-Mo-Na-O +mp-566333,Na3Fe2Mo5O16,-7.8773109321,-1.9433536925,0.0724787754,0.0724787754,GGA+U,P-3m1,A2B5C3D16_hP52_164_2c_2di_ab2d_4d4i:Fe-Mo-Na-O,52.0,"Invalid WP multiplicities - A2B5C3D16_hP52_164_4c_4d3i_ab2d_8d20i:Fe-Mo-Na-O, expected Na3Fe4Mo13O68 to be Na3Fe2Mo5O16" +mp-554683,Na3Fe2Mo5O16,-7.7665952838,-1.8326380442,0.1831944237,0.1831944237,GGA+U,P-3m1,A2B5C3D16_hP52_164_2c_2di_ab2d_4d4i:Fe-Mo-Na-O,52.0,"Invalid WP multiplicities - A2B5C3D16_hP52_164_4c_4d3i_ab2d_8d20i:Fe-Mo-Na-O, expected Na3Fe4Mo13O68 to be Na3Fe2Mo5O16" +mp-556765,NaFe2(MoO4)3,-8.0595173344,-1.9395294134,0.0070706153,0.0070706153,GGA+U,P-1,A2B3CD12_aP36_2_2i_3i_i_12i:Fe-Mo-Na-O,36.0,"Invalid WP multiplicities - A2B3CD12_aP36_2_4i_6i_i_24i:Fe-Mo-Na-O, expected NaFe4(MoO4)6 to be NaFe2(MoO4)3" +mp-555752,NaFe2(MoO4)3,-8.06419236,-1.944204439,0.0023955898,0.0023955898,GGA+U,P-1,A2B3CD12_aP36_2_2i_3i_i_12i:Fe-Mo-Na-O,36.0,"Invalid WP multiplicities - A2B3CD12_aP36_2_3i_3i_i_22i:Fe-Mo-Na-O, expected NaFe3Mo3O22 to be NaFe2(MoO4)3" +mp-542274,Na3Fe2(MoO4)3,-7.6054142117,-1.9651725535,0.0486886395,0.0486886395,GGA+U,C2/c,A2B3C3D12_mC80_15_f_ef_a2e_6f:Fe-Mo-Na-O,40.0,A2B3C3D12_mC80_15_f_ef_a2e_6f:Fe-Mo-Na-O +mp-1190931,NaFe(MoO4)2,-7.89922677,-1.9777804022,0.0038799619,0.0038799619,GGA+U,C2/c,AB2CD8_mC48_15_a_f_e_4f:Fe-Mo-Na-O,24.0,AB2CD8_mC48_15_c_f_e_4f:Fe-Mo-Na-O +mp-1196505,Na9Fe(MoO4)6,-7.2068577519,-2.1026782873,0.005845811,0.005845811,GGA+U,R-3,AB6C9D24_hR240_148_c_2f_3f_8f:Fe-Mo-Na-O,80.0,AB6C9D24_hR240_148_c_2f_3f_8f:Fe-Mo-Na-O +mp-1227484,BaZrTiPbO6,-8.33242756,-3.1569328676,0.0323248939,0.0323248939,GGA,P4mm,AB6CDE_tP10_99_b_2a2c_b_a_a:Ba-O-Pb-Ti-Zr,10.0,"Invalid WP multiplicities - AB6CDE_tP10_99_b_2a4c_b_a_a:Ba-O-Pb-Ti-Zr, expected BaZrTiPbO10 to be BaZrTiPbO6" +mp-1227980,BaZr2Ti3Pb4O15,-8.1885270228,-2.9184561749,0.0265471221,0.0265471221,GGA,Pm,AB15C4D3E2_mP25_6_a_5a10b_4a_3b_2b:Ba-O-Pb-Ti-Zr,25.0,AB15C4D3E2_mP25_6_a_5a10b_4a_3b_2b:Ba-O-Pb-Ti-Zr +mp-1227880,BaZr5Pb4O15,-8.3518253548,-3.0034894733,0.0257486935,0.0257486935,GGA,Cm,AB15C4D5_mC50_8_a_5a5b_4a_5a:Ba-O-Pb-Zr,25.0,"Invalid WP multiplicities - AB15C4D5_mC50_8_a_5a10b_4a_5a:Ba-O-Pb-Zr, expected BaZr5Pb4O25 to be BaZr5Pb4O15" +mp-1228218,Ba4Ti5PbO15,-8.322241904,-3.3195884007,0.0243186334,0.0243186334,GGA,P4/mmm,A4B15CD5_tP25_123_2h_ae2g2i_c_b2g:Ba-O-Pb-Ti,25.0,"Invalid WP multiplicities - A4B15CD5_tP25_123_3h_a2e3g7i_c_b4g:Ba-O-Pb-Ti, expected Ba6Ti9PbO39 to be Ba4Ti5PbO15" +mp-1517760,SrTiNbSnO6,-8.243739646,-2.9061401828,0.128458808,0.128458808,GGA,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sn-Sr-Ti,10.0,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sn-Sr-Ti +mp-1216787,TiNb2ZnO8,-8.6634450908,-2.9191654744,0.0306821135,0.0306821135,GGA,P2,A2B8CD_mP12_3_ac_4e_b_d:Nb-O-Ti-Zn,12.0,"Invalid WP multiplicities - A2B8CD_mP12_3_ac_6e_b_d:Nb-O-Ti-Zn, expected TiNb2ZnO12 to be TiNb2ZnO8" +mp-1096650,Ti2NbZn,-3.7180494575,3.0699587133,3.18747837,3.18747837,GGA,Immm,AB2C_oI8_71_a_e_b:Nb-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Nb-Ti-Zn +mp-1210326,Nb3Zn2Bi3O14,-7.518183545,-2.3546148319,0.038769989,0.038769989,GGA,P4_132,A3B3C14D2_cP88_213_d_d_c2e_ab:Bi-Nb-O-Zn,88.0,A3B3C14D2_cP88_213_d_d_c2e_ab:Bi-Nb-O-Zn +mp-1216863,TiNb(BiO3)3,-7.7318323625,-2.4433707305,0.0024488952,0.0024488952,GGA,P2_1,A3BC9D_mP28_4_3a_a_9a_a:Bi-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3BC9D_mP28_4_5a_a_17a_a:Bi-Nb-O-Ti, expected TiNbBi5O17 to be TiNb(BiO3)3" +mp-1216832,TiNb(BiO3)3,-7.6671390171,-2.3786773851,0.0671422405,0.0671422405,GGA,I4mm,A3BC9D_tI28_107_3a_a_3a3b_a:Bi-Nb-O-Ti,14.0,"Invalid WP multiplicities - A3BC9D_tI28_107_3a_a_3a4b_a:Bi-Nb-O-Ti, expected TiNbBi3O11 to be TiNb(BiO3)3" +mp-1216974,TiNb(BiO3)3,-7.1898936264,-1.9014319944,0.5443876312,0.5443876312,GGA,I4mm,A3BC9D_tI28_107_3a_a_3a3b_a:Bi-Nb-O-Ti,14.0,"Invalid WP multiplicities - A3BC9D_tI28_107_3a_a_3a4b_a:Bi-Nb-O-Ti, expected TiNbBi3O11 to be TiNb(BiO3)3" +mp-1216838,TiNbBiO6,-8.57649506,-2.852337454,0.0,-8.92586e-05,GGA,P1,ABC6D_aP18_1_2a_2a_12a_2a:Bi-Nb-O-Ti,18.0,ABC6D_aP18_1_2a_2a_12a_2a:Bi-Nb-O-Ti +mp-1046752,TiNb2Zn2O8,-8.0153736538,-2.6160583456,0.1130174114,0.1130174114,GGA,C2/c,A2B8CD2_mC52_15_f_4f_e_f:Nb-O-Ti-Zn,26.0,"Invalid WP multiplicities - A2B8CD2_mC52_15_f_5f_e_f:Nb-O-Ti-Zn, expected TiNb2Zn2O10 to be TiNb2Zn2O8" +mp-1208391,Ti3NbZnBi3O14,-7.9200620764,-2.6553968924,0.0203024948,0.0203024948,GGA,P4_132,A3BC14D3E_cP88_213_d_a_c2e_d_b:Bi-Nb-O-Ti-Zn,88.0,A3BC14D3E_cP88_213_d_a_c2e_d_b:Bi-Nb-O-Ti-Zn +mp-1217566,Ti4Nb(BiO3)7,-7.7101180298,-2.4844465161,0.0278909488,0.0278909488,GGA,C2,A7BC21D4_mC132_5_7c_c_21c_ab3c:Bi-Nb-O-Ti,66.0,A7BC21D4_mC132_5_7c_c_21c_ab3c:Bi-Nb-O-Ti +mp-1045676,Nb2Zn2BiO8,-7.4120788719,-2.3246868627,0.0968325399,0.0968325399,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Bi-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Bi-Nb-O-Zn, expected Nb2Zn2BiO10 to be Nb2Zn2BiO8" +mp-2229436,Na2Eu2MgTi3O10,-8.4503869711,-3.0107926711,0.2284388676,0.2284388676,GGA,I4/mmm,A2BC2D10E3_tI36_139_e_a_e_c2eg_be:Eu-Mg-Na-O-Ti,18.0,"Invalid WP multiplicities - A2BC2D10E3_tI36_139_e_a_e_c3eg_be:Eu-Mg-Na-O-Ti, expected Na2Eu2MgTi3O12 to be Na2Eu2MgTi3O10" +mp-1217765,SrTiMnBiO6,-7.770812174,-2.544049958,0.1548570475,0.1548570475,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Bi-Mn-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Bi-Mn-O-Sr-Ti +mp-546629,Sr2Mn3(BiO)2,-6.5752942878,-1.1931400138,0.1747386496,0.1747386496,GGA+U,I4/mmm,A2B3C2D2_tI18_139_e_ad_c_e:Bi-Mn-O-Sr,9.0,A2B3C2D2_tI18_139_e_ad_c_e:Bi-Mn-O-Sr +mp-1218800,Sr2Ti5(Bi2O9)2,-7.9742921707,-2.8964025047,0.0068728128,0.0068728128,GGA,P1,A4B18C2D5_aP58_1_8a_36a_4a_10a:Bi-O-Sr-Ti,58.0,A4B18C2D5_aP58_1_8a_36a_4a_10a:Bi-O-Sr-Ti +mp-1232588,SrMnBi2,-4.9237313681,-0.2906096168,0.1736965543,0.1736965543,GGA,Imm2,A2BC_oI16_44_abc_c_c:Bi-Mn-Sr,16.0,A2BC_oI16_44_abc_c_c:Bi-Mn-Sr +mp-29207,SrMnBi2,-4.9939282937,-0.3608065424,0.1034996286,0.1034996286,GGA,I4/mmm,A2BC_tI16_139_ce_d_e:Bi-Mn-Sr,8.0,A2BC_tI16_139_ce_d_e:Bi-Mn-Sr +mp-1218519,Sr3Ti2Mn2BiO12,-7.9315687705,-2.8123563384,0.0517335038,0.0517335038,GGA+U,R-3m,AB2C12D3E2_hR60_166_a_c_deh_bc_c:Bi-Mn-O-Sr-Ti,20.0,"Invalid WP multiplicities - AB2C12D3E2_hR60_166_a_c_3d3e4h_b2c_c:Bi-Mn-O-Sr-Ti, expected Sr5Ti2Mn2BiO42 to be Sr3Ti2Mn2BiO12" +mp-1279155,SrMn2BiO6,-7.504881719,-2.1514671755,0.0212508728,0.0212508728,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Bi-Mn-O-Sr,20.0,AB2C6D_aP20_1_2a_4a_12a_2a:Bi-Mn-O-Sr +mp-1272521,SrMn2BiO6,-7.47717881,-2.1237642665,0.0489537818,0.0489537818,GGA+U,C2,AB2C6D_mC20_5_a_2b_2b2c_a:Bi-Mn-O-Sr,10.0,AB2C6D_mC20_5_a_2b_2b2c_a:Bi-Mn-O-Sr +mp-1218247,SrMn2BiO6,-7.499299844,-2.1458853005,0.0268327478,0.0268327478,GGA+U,I4mm,AB2C6D_tI20_107_a_b_bc_a:Bi-Mn-O-Sr,10.0,AB2C6D_tI20_107_a_b_bc_a:Bi-Mn-O-Sr +mp-1217847,SrTi4Bi4O15,-7.8836896115,-2.7656167486000003,0.002296636,0.002296636,GGA,Cmc2_1,A4B15CD4_oC96_36_2b_a7b_a_2b:Bi-O-Sr-Ti,48.0,A4B15CD4_oC96_36_2b_a7b_a_2b:Bi-O-Sr-Ti +mp-1208471,Sr3MnBiO6,-6.927745347,-2.5867347062,0.0,-0.0011239032,GGA+U,P2_1/c,ABC6D3_mP44_14_e_e_6e_3e:Bi-Mn-O-Sr,44.0,"Invalid WP multiplicities - ABC6D3_mP44_14_e_e_12e_4e:Bi-Mn-O-Sr, expected Sr4MnBiO12 to be Sr3MnBiO6" +mp-1205023,Sr4Mn2Bi4O13,-6.8560546722,-2.3016670998,0.0,-0.000693448,GGA+U,Pna2_1,A4B2C13D4_oP184_33_8a_4a_26a_8a:Bi-Mn-O-Sr,184.0,A4B2C13D4_oP184_33_8a_4a_26a_8a:Bi-Mn-O-Sr +mp-569111,Sr14MnBi11,-3.7559526784,-0.8690179065,0.0,-0.0090186706,GGA,I4_1/acd,A11BC14_tI208_142_bf2g_a_e3g:Bi-Mn-Sr,104.0,"Invalid WP multiplicities - A11BC14_tI208_142_4b7f18g_a_7e31g:Bi-Mn-Sr, expected Sr138MnBi90 to be Sr14MnBi11" +mp-1520382,Sr2TiBiO6,-7.260295555,-2.7807855229,0.131659762,0.131659762,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Ti +mp-1042180,BaAlCuBiO5,-6.1609894867,-1.9012461393,0.4573777358,0.4573777358,GGA,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Bi-Cu-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Bi-Cu-O +mp-1229289,Ba11Cu4Bi9O29,-6.1057071285,-2.0392179621,0.1082692388,0.1082692388,GGA,Cm,A11B9C4D29_mC106_8_11a_9a_4a_21a4b:Ba-Bi-Cu-O,53.0,"Invalid WP multiplicities - A11B9C4D29_mC106_8_11a_9a_4a_21a6b:Ba-Bi-Cu-O, expected Ba11Cu4(Bi3O11)3 to be Ba11Cu4Bi9O29" +mp-1042329,Ba2AlBi3O8,-6.04665876,-1.8553371321,0.5611408675,0.5611408675,GGA,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Bi-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Bi-O, expected Ba2AlBi5O16 to be Ba2AlBi3O8" +mp-1215097,Ba11Cu5Bi8O29,-6.0614404796,-1.9900698503,0.129908486,0.129908486,GGA,C2/m,A11B8C5D29_mC106_12_b5i_4i_c2i_a10i2j:Ba-Bi-Cu-O,53.0,A11B8C5D29_mC106_12_a5i_4i_c2i_b10i2j:Ba-Bi-Cu-O +mp-569218,Ba3Al3Ga2,-3.224402315,-0.3431717706,0.0,-0.0216416833,GGA,P6_3/mmc,A3B3C2_hP16_194_h_af_f:Al-Ba-Ga,16.0,"Invalid WP multiplicities - A3B3C2_hP16_194_h_2a2f_f:Al-Ba-Ga, expected Ba6Al3Ga2 to be Ba3Al3Ga2" +mp-1227987,BaAlGaO4,-7.0847429086,-3.0162569604,0.0150789759,0.0150789759,GGA,C2,ABCD4_mC28_5_c_c_c_ab3c:Al-Ba-Ga-O,14.0,ABCD4_mC28_5_c_c_c_ab3c:Al-Ba-Ga-O +mp-1229132,Ba3Al2Ga2(FeO6)2,-7.2622142905,-2.7096154581,0.014656707,0.014656707,GGA+U,P2_1,A2B3C2D2E12_mP42_4_2a_3a_2a_2a_12a:Al-Ba-Fe-Ga-O,42.0,A2B3C2D2E12_mP42_4_2a_3a_2a_2a_12a:Al-Ba-Fe-Ga-O +mp-1228405,Ba2AlGa3,-3.177760565,-0.3997916021,0.0142879717,0.0142879717,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Al-Ba-Ga,6.0,AB2C3_mC12_8_a_2a_3a:Al-Ba-Ga +mp-1207061,Ba(AlGa)2,-3.468403044,-0.375139315,0.0,-0.029023794,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ba-Ga,5.0,A2BC2_tI10_139_d_a_e:Al-Ba-Ga +mp-1519887,SrPrDyNiO6,-7.344654613,-2.6909091134,0.1601282223,0.1601282223,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Dy-Ni-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Dy-Ni-O-Pr-Sr +mp-556318,Cr4Si2Cl2O7,-8.2671898615,-2.4147418456,0.0,-0.0347285806,GGA+U,Pc,A2B4C7D2_mP60_7_4a_8a_14a_4a:Cl-Cr-O-Si,60.0,"Invalid WP multiplicities - A2B4C7D2_mP60_7_6a_16a_27a_6a:Cl-Cr-O-Si, expected Cr16Si6(Cl2O9)3 to be Cr4Si2Cl2O7" +mp-1213842,Cr3Pb5ClO12,-6.8855126762,-1.7078374879,0.0537366242,0.0537366242,GGA+U,P6_3/m,AB3C12D5_hP42_176_b_h_2hi_fh:Cl-Cr-O-Pb,42.0,AB3C12D5_hP42_176_b_h_2hi_fh:Cl-Cr-O-Pb +mp-561110,SiPb4(ClO)4,-5.633071449,-1.9825477725,0.0,-0.020191993,GGA,P2_1/c,A4B4C4D_mP52_14_ad3e_4e_4e_e:Cl-O-Pb-Si,52.0,"Invalid WP multiplicities - A4B4C4D_mP52_14_2a2d10e_12e_10e_e:Cl-O-Pb-Si, expected SiPb10(ClO)12 to be SiPb4(ClO)4" +mp-1226647,Cr3Si3Pb10(ClO12)2,-6.8718626798,-1.9961681657,0.0153618993,0.0153618993,GGA+U,Pm,A2B3C24D10E3_mP42_6_c_2ab_6a6b6c_3a3b2c_a2b:Cl-Cr-O-Pb-Si,42.0,"Invalid WP multiplicities - A2B3C24D10E3_mP42_6_c_2ab_6a6b12c_3a3b3c_a2b:Cl-Cr-O-Pb-Si, expected Cr3Si3Pb12(ClO18)2 to be Cr3Si3Pb10(ClO12)2" +mp-1219347,SiPb7(ClO4)2,-5.8149787406,-1.6658437111,0.160016221,0.160016221,GGA,Amm2,A2B8C7D_oC36_38_ab_2f_3a4b_a:Cl-O-Pb-Si,18.0,A2B8C7D_oC36_38_ab_2f_3a4b_a:Cl-O-Pb-Si +mp-1191060,CrPb6(Cl3O4)2,-5.0736874324,-1.1406560257,0.3928119705,0.3928119705,GGA+U,R-3,A6BC8D6_hR63_148_f_a_cf_f:Cl-Cr-O-Pb,21.0,A6BC8D6_hR63_148_f_a_cf_f:Cl-Cr-O-Pb +mp-1218505,SrCa(RuO3)2,-7.393438746,-2.2010356779,0.0086712878,0.0086712878,GGA,Pmc2_1,AB6C2D_oP20_26_a_ab2c_c_b:Ca-O-Ru-Sr,20.0,"Invalid WP multiplicities - AB6C2D_oP20_26_a_ab3c_c_b:Ca-O-Ru-Sr, expected SrCa(RuO4)2 to be SrCa(RuO3)2" +mp-557111,Sr3CaRu2O9,-7.1586874065,-2.4824818251,0.0,-0.0245821748,GGA,P2_1/c,AB9C2D3_mP60_14_ab_9e_2e_3e:Ca-O-Ru-Sr,60.0,"Invalid WP multiplicities - AB9C2D3_mP60_14_2ab_35e_6e_10e:Ca-O-Ru-Sr, expected Sr20Ca3(Ru6O35)2 to be Sr3CaRu2O9" +mp-1218465,SrCa3(RuO3)4,-7.419858204,-2.2116498146,0.0069296636,0.0069296636,GGA,Pm,A3B12C4D_mP20_6_a2b_2a2b4c_2c_a:Ca-O-Ru-Sr,20.0,"Invalid WP multiplicities - A3B12C4D_mP20_6_a2b_2a2b8c_4c_a:Ca-O-Ru-Sr, expected SrCa3(Ru2O5)4 to be SrCa3(RuO3)4" +mp-1218458,SrCa3(RuO4)2,-7.1934692254,-2.4914258065,0.0318488856,0.0318488856,GGA,Iba2,A3B8C2D_oI56_45_a2b_2a2b2c_ab_a:Ca-O-Ru-Sr,28.0,"Invalid WP multiplicities - A3B8C2D_oI56_45_a2b_2a2b3c_ab_a:Ca-O-Ru-Sr, expected SrCa3(RuO5)2 to be SrCa3(RuO4)2" +mp-1218638,Sr3Ca3(Ru2O7)2,-7.2701218754,-2.3769330372,0.0084741647,0.0084741647,GGA,P1,A3B14C4D3_aP24_1_3a_14a_4a_3a:Ca-O-Ru-Sr,24.0,A3B14C4D3_aP24_1_3a_14a_4a_3a:Ca-O-Ru-Sr +mp-1233272,Sr4CaTb2(RuO6)2,-7.294394224799999,-2.7257572958000003,0.1874968895,0.1874968895,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Tb +mp-1234335,Sr4CaTb2(RuO6)2,-7.3037927733,-2.7351558444,0.1780983409,0.1780983409,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Tb,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Tb +mp-1520445,SrPrEuNiO6,-7.660849813,-2.4420828174,0.2026359788,0.2026359788,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Eu-Ni-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Eu-Ni-O-Pr-Sr +mp-1163936,Ca3Cu2(SiO4)3,-7.2168803214,-2.7243087411,0.0891341142,0.0891341142,GGA,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cu-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cu-O-Si +mp-1234027,CaHo2Cu(SiO3)4,-7.914260375,-3.0977023278,0.2779763382,0.2779763382,GGA,P-1,ABC2D12E4_aP20_2_a_d_i_6i_2i:Ca-Cu-Ho-O-Si,20.0,ABC2D12E4_aP20_2_a_d_i_6i_2i:Ca-Cu-Ho-O-Si +mp-1264728,Ca3Cu2(Si2O7)2,-7.3837157374,-2.8111015175,0.0616355857,0.0616355857,GGA,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Cu-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Cu-O-Si, expected Ca3CuSi5O27 to be Ca3Cu2(Si2O7)2" +mp-1330795,CaCu2(Si2O5)4,-7.7633011106,-2.8426452498,0.0737920995,0.0737920995,GGA,P-42_1c,AB2C20D8_tP62_114_a_d_5e_2e:Ca-Cu-O-Si,62.0,"Invalid WP multiplicities - AB2C20D8_tP62_114_a_d_18e_7e:Ca-Cu-O-Si, expected CaCu2(Si7O18)4 to be CaCu2(Si2O5)4" +mp-722867,Ca3Cu5Si9O26,-7.4862820595,-2.7431517862,0.0473330562,0.0473330562,GGA,C2/c,A3B5C26D9_mC172_15_ef_c2f_13f_e4f:Ca-Cu-O-Si,86.0,A3B5C26D9_mC172_15_ef_c2f_13f_e4f:Ca-Cu-O-Si +mp-1227246,CaCuSi,-4.1997258567,-0.3563509967,0.007183875,0.007183875,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-Cu-Si,3.0,ABC_hP3_187_b_c_e:Ca-Cu-Si +mp-6189,CaCu(Si2O5)2,-7.8372038519,-3.0076434905,0.0263026068,0.0263026068,GGA,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Cu-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Cu-O-Si, expected CaCu(Si2O11)2 to be CaCu(Si2O5)2" +mp-1250134,CaCu(SiO3)2,-7.4662920165,-2.8027345288000003,0.0907599733,0.0907599733,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Cu-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Cu-O-Si +mp-1041594,CaCu(SiO3)2,-7.4690769822,-2.8055194945,0.0879750076,0.0879750076,GGA,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Cu-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Cu-O-Si, expected CaCuSi8O41 to be CaCu(SiO3)2" +mp-5486,Ca(CuSi)2,-4.583030392,-0.372100536,0.0,-0.1407893635,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Cu-Si,5.0,AB2C2_tI10_139_a_d_e:Ca-Cu-Si +mp-1518151,NaLaHfZrO6,-8.947023069,-3.5026676364,0.1551166403,0.1551166403,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-La-Na-O-Zr +mp-1518286,SrEuDyCoO6,-7.963147278,-2.6289740624,0.1729959019,0.1729959019,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Co-Dy-Eu-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Co-Dy-Eu-O-Sr +mp-1522235,PrEuHfMnO6,-9.583938408,-3.2002139935,0.1545474309,0.1545474309,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Mn-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Eu-Hf-Mn-O-Pr +mp-1523259,Eu2DySbO6,-8.893484425,-3.0004920302,0.0736354229,0.0736354229,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-Sb,10.0,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-Sb +mp-1517659,NaEuDySbO6,-7.666543269,-2.6669985249,0.1740780981,0.1740780981,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-Sb +mp-1225434,Eu3DySb3,-7.9963692814,-1.1728270014,0.0,-0.0340469855,GGA,Cc,AB3C3_mC28_9_a_3a_3a:Dy-Eu-Sb,14.0,"Invalid WP multiplicities - AB3C3_mC28_9_a_6a_4a:Dy-Eu-Sb, expected Eu6DySb4 to be Eu3DySb3" +mp-1180598,MgTe(BrO)6,-3.5247298739,-0.4003092889,0.5392278944000001,0.5392278944000001,GGA,P1,A6BC6D_aP56_1_24a_4a_24a_4a:Br-Mg-O-Te,56.0,A6BC6D_aP56_1_24a_4a_24a_4a:Br-Mg-O-Te +mp-1199775,MgTe(BrO)6,-3.5399963609,-0.4155757758,0.5239614074,0.5239614074,GGA,Pa-3,A6BC6D_cP56_205_d_a_d_b:Br-Mg-O-Te,56.0,A6BC6D_cP56_205_d_a_d_b:Br-Mg-O-Te +mp-1222171,MgTe(PbO3)2,-6.048965434,-1.8640641989,0.0233353791,0.0233353791,GGA,P1,AB6C2D_aP10_1_a_6a_2a_a:Mg-O-Pb-Te,10.0,AB6C2D_aP10_1_a_6a_2a_a:Mg-O-Pb-Te +mp-21309,MgTe(PbO3)2,-6.047358355,-1.8624571199,0.0249424581,0.0249424581,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-Te,10.0,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-Te +mp-1233562,MgTe4Pb6(BrO3)4,-5.2737701322,-1.4951862841,0.1445867717,0.1445867717,GGA,P1,A4BC12D6E4_aP27_1_4a_a_12a_6a_4a:Br-Mg-O-Pb-Te,27.0,A4BC12D6E4_aP27_1_4a_a_12a_6a_4a:Br-Mg-O-Pb-Te +mp-1234074,MgTe4Pb6(BrO3)4,-5.2738964104,-1.4953125623,0.1444604936,0.1444604936,GGA,P1,A4BC12D6E4_aP27_1_4a_a_12a_6a_4a:Br-Mg-O-Pb-Te,27.0,A4BC12D6E4_aP27_1_4a_a_12a_6a_4a:Br-Mg-O-Pb-Te +mp-1234529,MgTe4Pb6(BrO3)4,-5.2190152189,-1.4404313708,0.199341685,0.199341685,GGA,C2,A4BC12D6E4_mC54_5_2c_a_2b5c_3c_2c:Br-Mg-O-Pb-Te,27.0,"Invalid WP multiplicities - A4BC12D6E4_mC54_5_2c_a_2b7c_3c_2c:Br-Mg-O-Pb-Te, expected MgTe4Pb6(BrO4)4 to be MgTe4Pb6(BrO3)4" +mp-1217453,TePb3(BrO2)2,-5.258880674,-1.5414748132,0.0,-0.019087375,GGA,Amm2,A2B4C3D_oC20_38_ab_f_a2b_a:Br-O-Pb-Te,10.0,A2B4C3D_oC20_38_ab_f_a2b_a:Br-O-Pb-Te +mp-1193128,Te2Pb3(BrO3)2,-5.40385269,-1.5414879266,0.0,-0.0106109522,GGA,C2/m,A2B6C3D2_mC52_12_2i_gi2j_3i_2i:Br-O-Pb-Te,26.0,A2B6C3D2_mC52_12_2i_gi2j_3i_2i:Br-O-Pb-Te +mp-1096058,Ba2ZnGa,-0.8175921875000001,1.2138551906,1.494860768,1.494860768,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Ga-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Ga-Zn +mp-1192501,BaScZn3GaO7,-6.3473968573,-2.5254282514,0.0061881017,0.0061881017,GGA,P6_3mc,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Ga-O-Sc-Zn,26.0,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Ga-O-Sc-Zn +mp-1521877,SrNdCrSnO6,-7.724503618,-2.7444643702,0.1461931625,0.1461931625,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Cr-Nd-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Cr-Nd-O-Sn-Sr +mp-2228512,MgCu3Te2(BrO3)2,-5.1009691971,-1.3173477133,0.0936965458,0.0936965458,GGA,C2,A2B3CD6E2_mC28_5_c_ac_a_3c_c:Br-Cu-Mg-O-Te,14.0,"Invalid WP multiplicities - A2B3CD6E2_mC28_5_c_a2c_a_5c_c:Br-Cu-Mg-O-Te, expected MgCu5Te2(BrO5)2 to be MgCu3Te2(BrO3)2" +mp-2224168,MgCuTeO4,-5.61800247,-1.5280671188,0.3170406787,0.3170406787,GGA,P1,ABC4D_aP7_1_a_a_4a_a:Cu-Mg-O-Te,7.0,ABC4D_aP7_1_a_a_4a_a:Cu-Mg-O-Te +mp-2225968,MgCuTeO4,-5.6180046786,-1.5280693274,0.3170384701,0.3170384701,GGA,P2,ABC4D_mP7_3_b_a_2e_c:Cu-Mg-O-Te,7.0,"Invalid WP multiplicities - ABC4D_mP7_3_a_b_4e_c:Cu-Mg-O-Te, expected MgCuTeO8 to be MgCuTeO4" +mp-2241896,MgCuTeO4,-5.5882192943,-1.4982839431,0.3468238544,0.3468238544,GGA,P2/m,ABC4D_mP7_10_c_b_mn_e:Cu-Mg-O-Te,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_b_c_2m2n_d:Cu-Mg-O-Te, expected MgCuTeO8 to be MgCuTeO4" +mp-2224770,MgCu3(TeO5)2,-5.7724419319,-1.4192294969,0.0544961472,0.0544961472,GGA,P1,A3BC10D2_aP16_1_3a_a_10a_2a:Cu-Mg-O-Te,16.0,A3BC10D2_aP16_1_3a_a_10a_2a:Cu-Mg-O-Te +mp-2240995,MgCu3(TeO5)2,-5.7463931181,-1.3931806832,0.0805449609,0.0805449609,GGA,P-1,A3BC10D2_aP16_2_bi_d_5i_i:Cu-Mg-O-Te,16.0,"Invalid WP multiplicities - A3BC10D2_aP16_2_bi_d_9i_i:Cu-Mg-O-Te, expected MgCu3(TeO9)2 to be MgCu3(TeO5)2" +mp-1046281,Mg4Cu5(TeO6)3,-5.888251612,-1.7093360109,0.0614816628,0.0614816628,GGA,C2/c,A5B4C18D3_mC120_15_e2f_2f_9f_af:Cu-Mg-O-Te,60.0,"Invalid WP multiplicities - A5B4C18D3_mC120_15_e4f_6f_35f_c2f:Cu-Mg-O-Te, expected Mg12Cu9(TeO14)5 to be Mg4Cu5(TeO6)3" +mp-2227319,MgCu2(TeO4)2,-5.6779593592,-1.3965120618,0.1909606159,0.1909606159,GGA,P-1,A2BC8D2_aP13_2_ad_c_4i_bg:Cu-Mg-O-Te,13.0,"Invalid WP multiplicities - A2BC8D2_aP13_2_ad_c_7i_bg:Cu-Mg-O-Te, expected MgCu2(TeO7)2 to be MgCu2(TeO4)2" +mp-2218301,MgCu2(TeO4)2,-5.7094957223,-1.4280484249,0.1594242528,0.1594242528,GGA,Cm,A2BC8D2_mC26_8_b_a_4a2b_2a:Cu-Mg-O-Te,13.0,A2BC8D2_mC26_8_b_a_4a2b_2a:Cu-Mg-O-Te +mp-2218649,MgCu2(TeO4)2,-5.6620949692,-1.3806476718,0.2068250059,0.2068250059,GGA,C2/m,A2BC8D2_mC26_12_ac_b_2ij_e:Cu-Mg-O-Te,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_4i3j_f:Cu-Mg-O-Te, expected MgCu2(TeO10)2 to be MgCu2(TeO4)2" +mp-1041056,MgCu2(TeO4)2,-5.7705005527,-1.4890532553,0.0984194224,0.0984194224,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-Te,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-Te, expected MgCu6Te5O26 to be MgCu2(TeO4)2" +mp-1210717,MgCu2TeO12,-5.07007415,-0.5511826614,0.4829567036,0.4829567036,GGA,P-31m,A2BC12D_hP16_162_c_b_2k_a:Cu-Mg-O-Te,16.0,A2BC12D_hP16_162_c_b_2k_a:Cu-Mg-O-Te +mp-1518043,BaSrGdBiO6,-7.929991045,-2.8094698419,0.0084570534,0.0084570534,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Bi-Gd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Bi-Gd-O-Sr, expected BaSrGdBiO12 to be BaSrGdBiO6" +mp-1518035,BaSrGdBiO6,-7.9207836152,-2.8002624122,0.0176644831,0.0176644831,GGA,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:Ba-Bi-Gd-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_f_6m_2c2d:Ba-Bi-Gd-O-Sr, expected BaSr2GdBiO12 to be BaSrGdBiO6" +mp-1518111,BaSrGdBiO6,-7.878068881,-2.7575476779,0.0603792174,0.0603792174,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Gd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Gd-O-Sr +mp-1208851,Sr2GdBiO6,-7.930737381,-2.8331643266,0.0,-0.0525923737,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Gd-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Gd-O-Sr +mp-1516894,Sr2GdBiO6,-7.8938847668,-2.7963117123,0.0368526142,-0.0157397595,GGA,Pn-3,ABC6D2_cP40_201_b_c_h_ad:Bi-Gd-O-Sr,40.0,ABC6D2_cP40_201_b_c_h_ad:Bi-Gd-O-Sr +mp-1516850,Sr2GdBiO6,-7.819476847,-2.7219037926,0.111260534,0.0586681603,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Bi-Gd-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Bi-Gd-O-Sr +mp-2226450,MgMnCu2SnS4,-4.9981996133,-0.6075240573,0.2225530882,0.2225530882,GGA,I222,A2BCD4E_oI18_23_f_c_a_k_b:Cu-Mg-Mn-S-Sn,9.0,A2BCD4E_oI18_23_f_c_a_k_b:Cu-Mg-Mn-S-Sn +mp-2240049,MgMnCu2SnS4,-5.0390364589,-0.6483609028,0.1817162426,0.1817162426,GGA,Fmm2,A2BCD4E_oF36_42_b_a_a_cd_a:Cu-Mg-Mn-S-Sn,9.0,A2BCD4E_oF36_42_b_a_a_cd_a:Cu-Mg-Mn-S-Sn +mp-1222185,Mg3Cu(SnS4)2,-4.6043728607,-1.0321736132,0.0547034674,0.0547034674,GGA,Imm2,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Mg-S-Sn,14.0,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Mg-S-Sn +mp-1210657,Mg(MnSn)6,-6.2081377508,-0.0058452175,0.0157577158,0.0157577158,GGA,P6/mmm,AB6C6_hP13_191_a_i_cde:Mg-Mn-Sn,13.0,AB6C6_hP13_191_a_i_cde:Mg-Mn-Sn +mp-19722,MnCu2SnS4,-5.3955007175,-0.6560257232000001,0.0,-0.0193863405,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Mn-S-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Mn-S-Sn +mp-1221928,MnCu2Sn3S8,-5.1450075307,-0.682097307,0.0070392073,0.0070392073,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Mn-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Cu-Mn-S-Sn, expected MnCu2Sn3S22 to be MnCu2Sn3S8" +mp-1028154,Mg14MnSn,-2.2039228813,0.0195463592,0.0750924882,0.0750924882,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Sn, expected Mg18MnSn to be Mg14MnSn" +mp-1028146,Mg14MnSn,-2.2003566137,0.0231126267,0.0786587557,0.0786587557,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Sn, expected Mg26MnSn to be Mg14MnSn" +mp-1022978,Mg6MnSn,-2.7971908744,0.0494675565,0.1333046646,0.1333046646,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Sn, expected Mg12MnSn to be Mg6MnSn" +mp-1022979,Mg6MnSn,-2.8003495131,0.0463089178,0.1301460258,0.1301460258,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Sn, expected Mg12MnSn to be Mg6MnSn" +mp-1209990,Nd2NiRuO6,-8.007432846,-2.5803362107,0.0,-0.0078730379,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Nd-Ni-O-Ru,20.0,A2BC6D_mP20_14_e_a_3e_b:Nd-Ni-O-Ru +mp-1218114,SrNdNiRuO6,-7.499842915,-2.3806116777,0.0,-0.0004561337,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Nd-Ni-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:Nd-Ni-O-Ru-Sr +mp-1205606,Sr2CrMoO6,-8.000064948,-2.6442832726,0.0470354992,0.0470354992,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Cr-Mo-O-Sr,10.0,ABC6D2_cF40_225_a_b_e_c:Cr-Mo-O-Sr +mp-1218627,Sr3LaCr2(MoO6)2,-8.2939794695,-2.7758721115,0.0208336917,0.0208336917,GGA+U,Pm,A2BC2D12E3_mP20_6_ab_a_ab_2a2b4c_a2b:Cr-La-Mo-O-Sr,20.0,"Invalid WP multiplicities - A2BC2D12E3_mP20_6_ab_a_ab_2a2b8c_a2b:Cr-La-Mo-O-Sr, expected Sr3LaCr2(MoO10)2 to be Sr3LaCr2(MoO6)2" +mp-1218810,Sr2La2Cr3MoO12,-8.5666480315,-2.9458451229,0.0006351056,0.0006351056,GGA+U,C2/m,A3B2CD12E2_mC40_12_ai_i_d_2i2j_i:Cr-La-Mo-O-Sr,20.0,A3B2CD12E2_mC40_12_ai_i_c_2i2j_i:Cr-La-Mo-O-Sr +mp-2223896,MgCoCu2SnS4,-4.68711036,-0.5246234147000001,0.2808161209,0.2808161209,GGA,I222,AB2CD4E_oI18_23_a_f_c_k_b:Co-Cu-Mg-S-Sn,9.0,AB2CD4E_oI18_23_a_f_c_k_b:Co-Cu-Mg-S-Sn +mp-2223602,MgCoCu2SnS4,-4.6940417367,-0.5315547914000001,0.2738847442,0.2738847442,GGA,Fmm2,AB2CD4E_oF36_42_a_b_a_cd_a:Co-Cu-Mg-S-Sn,9.0,"Invalid WP multiplicities - AB2CD4E_oF36_42_a_b_a_2c2d_a:Co-Cu-Mg-S-Sn, expected MgCoCu2SnS8 to be MgCoCu2SnS4" +mp-1226085,CoCu2Sn3S8,-4.96162111,-0.6454035646,0.0193798576,0.0193798576,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Cu-S-Sn,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Co-Cu-S-Sn, expected CoCu2Sn3S16 to be CoCu2Sn3S8" +mp-11770,CoCu2SnS4,-5.0458661738,-0.5631033666,0.0534758564,0.0534758564,GGA,I-42m,AB2C4D_tI16_121_a_d_i_b:Co-Cu-S-Sn,8.0,AB2C4D_tI16_121_a_d_i_b:Co-Cu-S-Sn +mp-1226994,Mg2Co3Sn10,-4.3763415498,-0.0682594142,0.0135281447,0.0135281447,GGA,Cm,A3B2C10_mC240_8_8a8b_8a4b_30a25b:Co-Mg-Sn,120.0,"Invalid WP multiplicities - A3B2C10_mC240_8_8a8b_8a8b_30a41b:Co-Mg-Sn, expected Mg3Co3Sn14 to be Mg2Co3Sn10" +mp-1097663,MgCo2Sn,-2.726731345,2.2298905287,2.3272073465,2.3272073465,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Mg-Sn,4.0,A2BC_oI8_71_e_a_b:Co-Mg-Sn +mp-1022068,Mg6CoSn,-2.5177981437,0.0721480999999999,0.1604967915,0.1604967915,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Sn, expected Mg12CoSn to be Mg6CoSn" +mp-1022067,Mg6CoSn,-2.5296933956,0.0602528481,0.1486015397,0.1486015397,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Sn, expected Mg12CoSn to be Mg6CoSn" +mp-1226500,Co3Cu(SnS4)2,-5.3787826557,-0.6262896057,0.0809195464,0.0809195464,GGA,Imm2,A3BC8D2_oI28_44_ac_b_2c2d_d:Co-Cu-S-Sn,14.0,A3BC8D2_oI28_44_ac_b_2c2d_d:Co-Cu-S-Sn +mp-1027892,Mg14CoSn,-2.0559016269,0.03921152,0.0970134407,0.0970134407,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Sn, expected Mg18CoSn to be Mg14CoSn" +mp-1099087,Mg14CoSn,-2.0562486369,0.03886451,0.0966664307,0.0966664307,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Sn, expected Mg26CoSn to be Mg14CoSn" +mp-1044813,Ba2AlCo2F11,-6.0849008415,-3.4082489701,0.0285225038,0.0285225038,GGA+U,P3_2,AB2C2D11_hP48_145_a_2a_2a_11a:Al-Ba-Co-F,48.0,"Invalid WP multiplicities - AB2C2D11_hP48_145_a_5a_5a_31a:Al-Ba-Co-F, expected Ba5AlCo5F31 to be Ba2AlCo2F11" +mp-1214777,Ba2MnAl2CoF14,-6.2954500745,-3.5774430659,0.0525815853,0.0525815853,GGA+U,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Al-Ba-Co-F-Mn,40.0,A2B2CD14E_mC80_15_f_f_c_7f_e:Al-Ba-Co-F-Mn +mp-1201029,Nd2Mn5Co12,-7.3788866097,0.0235441726,0.0644679897,0.0644679897,GGA,P6_3/mmc,A12B5C2_hP38_194_jk_fg_bc:Co-Mn-Nd,38.0,A12B5C2_hP38_194_jk_fg_bc:Co-Mn-Nd +mp-1519063,CaNd(CoO3)4,-6.6511115133,-1.3973735674,0.2554706299,0.2554706299,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ca-Co-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ca-Co-Nd-O, expected CaNd(Co2O9)2 to be CaNd(CoO3)4" +mp-1104681,Nd(MnCo2)4,-7.5168988769,0.0433127354,0.0810607817,0.0810607817,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Co-Mn-Nd,13.0,A8B4C_tI26_139_ij_f_a:Co-Mn-Nd +mp-1227089,CaNdCoO4,-7.5332563236,-2.7234249018,0.0430213696,0.0430213696,GGA+U,Cmcm,ABCD4_oC28_63_c_c_c_2cd:Ca-Co-Nd-O,14.0,"Invalid WP multiplicities - ABCD4_oC28_63_c_c_c_4cd:Ca-Co-Nd-O, expected CaNdCoO6 to be CaNdCoO4" +mp-1227058,CaNdCoO4,-7.5389163471,-2.7290849254,0.0373613461,0.0373613461,GGA+U,I4mm,ABCD4_tI14_107_a_a_a_2ab:Ca-Co-Nd-O,7.0,ABCD4_tI14_107_a_a_a_2ab:Ca-Co-Nd-O +mp-1516824,NdMn4CoO12,-7.6793975144,-1.6857980183,0.2570437188,0.2570437188,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Co-Mn-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Co-Mn-Nd-O, expected NdMn4CoO18 to be NdMn4CoO12" +mp-1228474,Ba2Ho2Fe(CoO4)3,-7.347835395,-2.2399350575,0.1646797855,0.1646797855,GGA+U,P4mm,A2B3CD2E12_tP20_99_2b_3a_a_2b_4a4c:Ba-Co-Fe-Ho-O,20.0,"Invalid WP multiplicities - A2B3CD2E12_tP20_99_2b_3a_a_2b_4a8c:Ba-Co-Fe-Ho-O, expected Ba2Ho2FeCo3O20 to be Ba2Ho2Fe(CoO4)3" +mp-22099,Ba2Ho2Co4O11,-7.3399261584,-2.2952095993,0.1178764034,0.1178764034,GGA+U,Pmmm,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Ho-O,19.0,A2B4C2D11_oP19_47_n_ik_p_abejly:Ba-Co-Ho-O +mp-1182461,Ba2Ho2Co4O11,-7.3422303895,-2.2975138303,0.1155721723,0.1155721723,GGA+U,Pmma,A2B4C2D11_oP38_51_g_2e2f_h_2efij2k:Ba-Co-Ho-O,38.0,"Invalid WP multiplicities - A2B4C2D11_oP38_51_g_2e3f_h_3efij2k:Ba-Co-Ho-O, expected Ba2Ho2Co5O12 to be Ba2Ho2Co4O11" +mp-25731,Ba2Ho2Co4O11,-7.3448813368,-2.3001647777,0.1129212249,0.1129212249,GGA+U,Pmma,A2B4C2D11_oP38_51_g_2e2f_h_2efij2k:Ba-Co-Ho-O,38.0,"Invalid WP multiplicities - A2B4C2D11_oP38_51_g_2e3f_h_3efij2k:Ba-Co-Ho-O, expected Ba2Ho2Co5O12 to be Ba2Ho2Co4O11" +mp-1194202,BaHoFe4O7,-8.0111113992,-2.2412429662,0.0148442361,0.0148442361,GGA+U,P2_1,AB4CD7_mP26_4_a_4a_a_7a:Ba-Fe-Ho-O,26.0,AB4CD7_mP26_4_a_4a_a_7a:Ba-Fe-Ho-O +mp-1104176,BaHoFe4O7,-7.9594365531,-2.1895681201,0.0665190823,0.0665190823,GGA+U,I-4,AB4CD7_tI26_82_a_g_c_bfg:Ba-Fe-Ho-O,13.0,AB4CD7_tI26_82_a_g_c_bfg:Ba-Fe-Ho-O +mp-1214409,BaHoFe4O7,-7.9059386392,-2.1360702062,0.1200169961,0.1200169961,GGA+U,F-43m,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-Ho-O,13.0,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-Ho-O +mp-505037,BaHo2CoO5,-7.8642740294,-3.094768026,0.0718530945,0.0718530945,GGA+U,Pnma,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Co-Ho-O,36.0,ABC2D5_oP36_62_c_c_2c_c2d:Ba-Co-Ho-O +mp-1105900,BaHo(CoO3)2,-7.2188677535,-2.1790525867,0.1677850655,0.1677850655,GGA+U,Pmmm,AB2CD6_oP20_47_n_ik_p_abefjly:Ba-Co-Ho-O,20.0,AB2CD6_oP20_47_n_ik_p_abefjly:Ba-Co-Ho-O +mp-1079686,BaHo(CoO3)2,-7.221144352,-2.1813291853,0.165508467,0.165508467,GGA+U,P4/mmm,AB2CD6_tP10_123_c_g_d_abi:Ba-Co-Ho-O,10.0,AB2CD6_tP10_123_c_g_d_abi:Ba-Co-Ho-O +mp-17703,BaHoCo4O7,-7.4140295538,-2.063146787,0.032828802,0.032828802,GGA+U,P6_3mc,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Ho-O,26.0,AB4CD7_hP26_186_b_ac_b_a2c:Ba-Co-Ho-O +mp-1202553,Nd6Fe13Bi,-7.2248774905,-0.0968950177,0.0084120855,0.0084120855,GGA,I4/mcm,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Nd,40.0,AB13C6_tI80_140_a_dk2l_fl:Bi-Fe-Nd +mp-1220539,NdFe5Bi4O15,-7.3204404176,-1.8532187907,0.0502804356,0.0502804356,GGA+U,P1,A4B5CD15_aP25_1_4a_5a_a_15a:Bi-Fe-Nd-O,25.0,A4B5CD15_aP25_1_4a_5a_a_15a:Bi-Fe-Nd-O +mp-1214534,Ba5Lu2ZrAl2O13,-7.8216488198,-3.5180583295,0.0,-0.0078883565,GGA,P6_3/mmc,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Lu-O-Zr,46.0,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Lu-O-Zr +mp-1214530,Ba6Lu2Al4O15,-7.5014966694,-3.4371120521,0.0,-0.0145975676,GGA,P2/c,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Lu-O,54.0,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Lu-O +mp-673696,Lu4Zr3O12,-9.4169720784,-3.9913316308,0.0014635768,-0.0135100117,GGA,P-1,A4B12C3_aP38_2_4i_12i_3i:Lu-O-Zr,38.0,"Invalid WP multiplicities - A4B12C3_aP38_2_8i_24i_5i:Lu-O-Zr, expected Lu8Zr5O24 to be Lu4Zr3O12" +mp-1222825,Lu4Zr3O12,-9.4184356553,-3.9927952076,0.0,-0.0149735886,GGA,P-1,A4B12C3_aP19_2_2i_6i_ai:Lu-O-Zr,19.0,"Invalid WP multiplicities - A4B12C3_aP19_2_4i_12i_ai:Lu-O-Zr, expected Lu8Zr3O24 to be Lu4Zr3O12" +mp-1228979,Ba10Ti8NbNiO30,-8.257413667,-3.3246978952,0.0127158184,0.0127158184,GGA+U,I4/mmm,A10BCD30E8_tI100_139_d2g_a_b_5eh2m_4e:Ba-Nb-Ni-O-Ti,50.0,"Invalid WP multiplicities - A10BCD30E8_tI100_139_2d6g_a_b_10e4h12m_6e:Ba-Nb-Ni-O-Ti, expected Ba28Ti12NbNiO132 to be Ba10Ti8NbNiO30" +mp-1214516,Ba3Nb2NiO9,-8.0971791642,-3.0131878321,0.0,-0.0246922092,GGA+U,P-3m1,A3B2CD9_hP15_164_ad_d_b_ei:Ba-Nb-Ni-O,60.0,A3B2CD9_hP15_164_ad_d_b_ei:Ba-Nb-Ni-O +mp-1210431,Na2MgGeO4,-5.96471622,-2.3828270529,0.0,-0.0143049144,GGA,Pc,ABC2D4_mP16_7_a_a_2a_4a:Ge-Mg-Na-O,16.0,ABC2D4_mP16_7_a_a_2a_4a:Ge-Mg-Na-O +mp-2230827,Na4MgTi2(GeO5)2,-6.7259788979,-2.4420679463,0.1820784197,0.1820784197,GGA,Pm,A2BC4D10E2_mP19_6_ab_a_2c_3a3b2c_ab:Ge-Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - A2BC4D10E2_mP19_6_ab_a_2c_3a3b3c_ab:Ge-Mg-Na-O-Ti, expected Na4MgTi2(GeO6)2 to be Na4MgTi2(GeO5)2" +mp-2230979,Na4MgTi2(GeO5)2,-6.6618118111,-2.3779008595,0.2462455065,0.2462455065,GGA,Cm,A2BC4D10E2_mC38_8_b_a_2ab_2a4b_2a:Ge-Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - A2BC4D10E2_mC38_8_b_a_2a2b_2a6b_2a:Ge-Mg-Na-O-Ti, expected Na6MgTi2(GeO7)2 to be Na4MgTi2(GeO5)2" +mp-2231123,Na4MgTi2(GeO5)2,-6.5296164563,-2.2457055048,0.3784408613,0.3784408613,GGA,P4mm,A2BC4D10E2_tP19_99_c_a_d_abef_ab:Ge-Mg-Na-O-Ti,19.0,A2BC4D10E2_tP19_99_c_a_d_abef_ab:Ge-Mg-Na-O-Ti +mp-2230747,Na4MgTi2(GeO5)2,-6.6907833953,-2.4068724437,0.2172739223,0.2172739223,GGA,P-4m2,A2BC4D10E2_tP19_115_ab_c_i_gjk_g:Ge-Mg-Na-O-Ti,19.0,"Invalid WP multiplicities - A2BC4D10E2_tP19_115_ab_c_i_g3j2k_g:Ge-Mg-Na-O-Ti, expected Na4MgTi2(GeO11)2 to be Na4MgTi2(GeO5)2" +mp-1042831,MgTi(GeO3)2,-7.4216159378,-2.5794199333,0.0634198273,0.0634198273,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-Ti,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-Ti +mp-1042857,MgTi(GeO3)2,-7.3541207045,-2.5119247001,0.1309150606,0.1309150606,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-Ti,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-Ti +mp-2217298,MgTi2(GeO3)2,-7.5795481,-2.4597797308,0.3236693334,0.3236693334,GGA,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Ge-Mg-O-Ti,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Ge-Mg-O-Ti +mp-2217958,MgTi2(GeO3)2,-7.5449500855,-2.4251817163,0.358267348,0.358267348,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:Ge-Mg-O-Ti,11.0,A2BC6D2_hR33_148_c_a_f_c:Ge-Mg-O-Ti +mp-1325638,Mg3Ti2(GeO4)3,-7.3251794158,-2.6341208016,0.1771819099,0.1771819099,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Ti,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-Ti +mp-1209431,Rb3Li2Al(MoO4)4,-7.4126597729,-2.2959427113,0.0158717694,0.0158717694,GGA+U,I-42d,AB2C4D16E3_tI104_122_a_d_e_4e_bd:Al-Li-Mo-O-Rb,52.0,AB2C4D16E3_tI104_122_a_d_e_4e_bd:Al-Li-Mo-O-Rb +mp-1209248,RbAl(MoO4)2,-7.8733985133,-2.3741551956,0.0,-0.0103058163,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:Al-Mo-O-Rb,12.0,AB2C8D_hP12_164_a_d_di_b:Al-Mo-O-Rb +mp-1219794,Rb5Al(MoO4)4,-7.2036424381,-2.1583398991,0.1222380162,0.1222380162,GGA+U,P1,AB4C16D5_aP26_1_a_4a_16a_5a:Al-Mo-O-Rb,26.0,"Invalid WP multiplicities - AB4C16D5_mP26_6_a_2a2b_4a4b8c_2a3b:Al-Mo-O-Rb, expected Rb5Al(MoO6)4 to be Rb5Al(MoO4)4" +mp-569582,La4MgCo,-4.8566789008,-0.1145745233,0.0,-0.0102338333,GGA,F-43m,AB4C_cF96_216_e_efg_e:Co-La-Mg,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_3e4f4g_e:Co-La-Mg, expected La15MgCo to be La4MgCo" +mp-2232145,MgTi2(CoO2)4,-7.67557754,-1.9823745431,0.3605307475,0.3605307475,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Co-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a3b_2a:Co-Mg-O-Ti, expected MgTi2(Co2O5)2 to be MgTi2(CoO2)4" +mp-2232154,MgTi2(CoO2)4,-7.639696912,-1.9464939151,0.3964113755,0.3964113755,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Co-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a3b_2a:Co-Mg-O-Ti, expected MgTi2(Co2O5)2 to be MgTi2(CoO2)4" +mp-2232269,MgTi2(CoO2)4,-7.7234348033,-2.0302318064,0.3126734842,0.3126734842,GGA+U,C2/m,A4BC8D2_mC30_12_aci_b_2ij_e:Co-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bci_a_4i2j_f:Co-Mg-O-Ti, expected MgTi2(CoO4)4 to be MgTi2(CoO2)4" +mp-2232143,MgTi2(CoO2)4,-7.378099094,-1.6848960971,0.6580091935,0.6580091935,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Co-Mg-O-Ti,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_abc_a_3c3d_d:Co-Mg-O-Ti, expected MgTi2(CoO3)4 to be MgTi2(CoO2)4" +mp-1274653,La2MgCoO6,-7.666722117,-2.8406476848,0.0488834172,0.0488834172,GGA+U,R-3,AB2CD6_hR30_148_a_c_b_f:Co-La-Mg-O,20.0,AB2CD6_hR30_148_a_c_b_f:Co-La-Mg-O +mp-2230017,La3MgTi4O12,-8.6537563755,-3.2862296772,0.3085846251,0.3085846251,GGA,Cm,A3BC12D4_mC40_8_3a_a_4a4b_2b:La-Mg-O-Ti,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_8_3a_a_4a8b_4b:La-Mg-O-Ti, expected La3MgTi8O20 to be La3MgTi4O12" +mp-2230892,La3MgTi4O12,-8.9086484575,-3.5411217592,0.0536925431,0.0536925431,GGA,Amm2,A3BC12D4_oC40_38_a2b_a_2cdef_f:La-Mg-O-Ti,20.0,"Invalid WP multiplicities - A3BC12D4_oC40_38_a2b_a_2c2d2e2f_f:La-Mg-O-Ti, expected La3MgTi4O20 to be La3MgTi4O12" +mp-1223627,La10MgTi7O30,-9.0553681956,-3.7505878507,0.0389848847,0.0389848847,GGA,P3,A10BC30D7_hP48_143_4a2b4c_a_10d_a4b2c:La-Mg-O-Ti,48.0,A10BC30D7_hP48_143_4a2b4c_a_10d_a4b2c:La-Mg-O-Ti +mp-2230264,La4MgTi4O10,-8.3171930016,-2.9280791253,0.3709693174,0.3709693174,GGA,C2,A4BC10D4_mC38_5_2c_a_3a3b2c_2c:La-Mg-O-Ti,19.0,"Invalid WP multiplicities - A4BC10D4_mC38_5_4c_a_3a3b4c_2c:La-Mg-O-Ti, expected La8MgTi4O14 to be La4MgTi4O10" +mp-2231209,La4MgTi4O10,-8.3652256,-2.9761117237,0.3229367189,0.3229367189,GGA,Cm,A4BC10D4_mC38_8_2b_a_2a4b_2ab:La-Mg-O-Ti,19.0,"Invalid WP multiplicities - A4BC10D4_oI38_44_3c_a_3cde_abc:La-Mg-O-Ti, expected La6MgTi4O12 to be La4MgTi4O10" +mp-2230902,La4MgTi4O10,-8.3037387647,-2.9146248885,0.3844235542,0.3844235542,GGA,Cm,A4BC10D4_mC38_8_4a_a_4a3b_4a:La-Mg-O-Ti,19.0,A4BC10D4_mC38_12_2i_b_f2ij_aci:La-Mg-O-Ti +mp-2217795,MgTi2(CoO3)2,-8.0269891964,-2.455349929,0.2722421016,0.2722421016,GGA+U,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Co-Mg-O-Ti,11.0,A2BC6D2_hR33_146_2a_a_2b_2a:Co-Mg-O-Ti +mp-2217622,MgTi2(CoO3)2,-8.0139606564,-2.442321389,0.2852706416,0.2852706416,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Ti,11.0,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Ti +mp-2217318,MgTi2(CoO3)2,-8.0374195655,-2.4657802981,0.2618117325,0.2618117325,GGA+U,R-3,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Ti,11.0,A2BC6D2_hR33_148_c_a_f_c:Co-Mg-O-Ti +mp-2228538,La4MgCoO8,-7.9793819329,-3.1203722218,0.2672834093,0.2672834093,GGA+U,C2/m,AB4CD8_mC28_12_a_2i_c_2ij:Co-La-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_a_3i_d_2i3j:Co-La-Mg-O, expected La6MgCoO16 to be La4MgCoO8" +mp-2224844,La4MgCoO8,-8.1563541707,-3.2973444596,0.0903111714,0.0903111714,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_oC28_65_a_2gh_c_gh3n:Co-La-Mg-O, expected La6MgCoO16 to be La4MgCoO8" +mp-6457,La2MgTiO6,-8.591696467,-3.6869046126,0.0080831227,0.0080831227,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mg-O-Ti,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Mg-O-Ti +mp-1412249,La2MgTiO6,-8.579841083,-3.6750492286,0.0199385067,0.0199385067,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Ti,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-Ti +mp-2223087,La2MgTiCoO6,-7.9403923036,-2.8352799092,0.5237998502,0.5237998502,GGA+U,P-1,AB2CD6E_aP11_2_d_i_a_3i_c:Co-La-Mg-O-Ti,11.0,"Invalid WP multiplicities - AB2CD6E_aP11_2_d_i_a_5i_c:Co-La-Mg-O-Ti, expected La2MgTiCoO10 to be La2MgTiCoO6" +mp-1032337,Mg6TiCoO8,-6.7481658806,-2.736978393,0.2260994467,0.2260994467,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Ti, expected Mg6TiCoO12 to be Mg6TiCoO8" +mp-1032165,Mg6TiCoO8,-6.76403695,-2.7528494624,0.2102283773,0.2102283773,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Ti, expected Mg6TiCoO12 to be Mg6TiCoO8" +mp-2229347,MgTi4(CoO5)2,-8.4738032965,-2.7758167777,0.233390026,0.233390026,GGA+U,Amm2,A2BC10D4_oC34_38_ab_a_ab4c_2c:Co-Mg-O-Ti,17.0,"Invalid WP multiplicities - A2BC10D4_oC34_38_ab_a_ab8c_2c:Co-Mg-O-Ti, expected MgTi4(CoO9)2 to be MgTi4(CoO5)2" +mp-2224744,MgTiCo3O8,-7.3319861754,-1.9170450106,0.1357147554,0.1357147554,GGA+U,P-1,A3BC8D_aP13_2_ace_b_4i_d:Co-Mg-O-Ti,13.0,"Invalid WP multiplicities - A3BC8D_aP13_2_ace_b_7i_d:Co-Mg-O-Ti, expected MgTiCo3O14 to be MgTiCo3O8" +mp-2226442,MgTiCo3O8,-7.3205307808,-1.905589616,0.14717015,0.14717015,GGA+U,C2/m,A3BC8D_mC26_12_be_c_2ij_a:Co-Mg-O-Ti,13.0,"Invalid WP multiplicities - A3BC8D_mC26_12_be_c_3i2j_a:Co-Mg-O-Ti, expected MgTiCo3O14 to be MgTiCo3O8" +mp-2219118,MgTiCo3O8,-7.22051107,-1.8055699053,0.2471898608,0.2471898608,GGA+U,R3m,A3BC8D_hR39_160_b_a_2a2b_a:Co-Mg-O-Ti,13.0,A3BC8D_hR39_160_b_a_2a2b_a:Co-Mg-O-Ti +mp-1206537,LaMg2TiO6,-6.958198309,-2.3869791601,0.9162874707,0.9162874707,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:La-Mg-O-Ti,10.0,AB2C6D_cF40_225_a_c_e_b:La-Mg-O-Ti +mp-2224726,LaMgCoO3,-6.6071144683,-1.8596692877,0.9870579682,0.9870579682,GGA+U,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Co-La-Mg-O,6.0,ABCD3_tP6_123_b_c_d_ae:Co-La-Mg-O +mp-2226770,LaMgCoO3,-6.8041687667,-2.056723586,0.7900036699,0.7900036699,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:Co-La-Mg-O,6.0,ABCD3_hR18_160_a_a_a_b:Co-La-Mg-O +mp-1035127,Mg14TiCoO16,-6.5421874178,-2.8998514837,0.1087075859,0.1087075859,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Ti, expected Mg18TiCoO20 to be Mg14TiCoO16" +mp-1035096,Mg14TiCoO16,-6.5350864094,-2.8927504753,0.1158085943,0.1158085943,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Ti, expected Mg30TiCoO32 to be Mg14TiCoO16" +mp-1037122,Mg30TiCoO32,-6.4386602798,-2.9807501225,0.050549562,0.050549562,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Ti, expected Mg90TiCoO80 to be Mg30TiCoO32" +mp-1037160,Mg30TiCoO32,-6.43333506,-2.9754249026,0.0558747818,0.0558747818,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Ti, expected Mg110TiCoO72 to be Mg30TiCoO32" +mp-1022087,LaMg6Co,-2.5960046287000003,0.1097460212,0.1885784674,0.1885784674,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-La-Mg, expected LaMg12Co to be LaMg6Co" +mp-1099286,LaMg6Co,-2.5514205988,0.1543300512,0.2331624974,0.2331624974,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-La-Mg,8.0,ABC6_oC16_38_a_b_abde:Co-La-Mg +mp-1026886,LaMg14Co,-2.0918582563,0.0611570937,0.1040074166,0.1040074166,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-La-Mg, expected LaMg18Co to be LaMg14Co" +mp-1027741,LaMg14Co,-2.0507240225,0.1022913275,0.1451416503,0.1451416503,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-La-Mg, expected LaMg26Co to be LaMg14Co" +mp-2230350,MgTiCo5O12,-7.1209050121,-1.6262931396,0.1197994889,0.1197994889,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti +mp-2230936,MgTiCo5O12,-7.1072529089,-1.6126410365,0.1334515921,0.1334515921,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti +mp-2231836,MgTiCo5O12,-7.0987596932,-1.6041478207000002,0.1419448079,0.1419448079,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Ti +mp-2222895,MgTi(CoO3)2,-7.415918061,-2.0766640686,0.267429478,0.267429478,GGA+U,P1,A2BC6D_aP10_1_2a_a_6a_a:Co-Mg-O-Ti,10.0,A2BC6D_aP10_1_2a_a_6a_a:Co-Mg-O-Ti +mp-2240631,MgTi(CoO3)2,-7.452436243,-2.1131822506,0.230911296,0.230911296,GGA+U,P1,A2BC6D_aP10_1_2a_a_6a_a:Co-Mg-O-Ti,10.0,A2BC6D_aP10_1_2a_a_6a_a:Co-Mg-O-Ti +mp-2227441,MgTi(CoO3)2,-7.504912911,-2.1656589186,0.178434628,0.178434628,GGA+U,Cm,A2BC6D_mC20_8_2a_a_6a_a:Co-Mg-O-Ti,10.0,A2BC6D_mC20_8_2a_a_6a_a:Co-Mg-O-Ti +mp-2240560,MgTi(CoO3)2,-7.490910493,-2.1516565006,0.192437046,0.192437046,GGA+U,C2/m,A2BC6D_mC20_12_i_a_3i_d:Co-Mg-O-Ti,10.0,"Invalid WP multiplicities - A2BC6D_aP10_2_i_b_6i_d:Co-Mg-O-Ti, expected MgTi(CoO6)2 to be MgTi(CoO3)2" +mp-1338782,MgTi2CoO7,-7.9864792103,-2.6113516779,0.1779800888,0.1779800888,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Co-Mg-O-Ti,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_2e_3e_17e_7e:Co-Mg-O-Ti, expected Mg3Ti7Co2O17 to be MgTi2CoO7" +mp-2230488,La4MgTi3O12,-8.883217502,-3.6636650492,0.0167778988,0.0167778988,GGA,P-1,A4BC12D3_aP20_2_2i_a_6i_beh:La-Mg-O-Ti,20.0,"Invalid WP multiplicities - A4BC12D3_aP20_2_3i_a_11i_beh:La-Mg-O-Ti, expected La6MgTi3O22 to be La4MgTi3O12" +mp-2230361,La4MgTi3O12,-8.805761001,-3.5862085483,0.0942343998,0.0942343998,GGA,R-3,A4BC12D3_hR60_148_2c_a_2f_bc:La-Mg-O-Ti,20.0,A4BC12D3_hR60_148_2c_a_2f_bc:La-Mg-O-Ti +mp-2240365,La2Mg(CoO3)2,-7.6064491855,-2.5728980839,0.2109819147,0.2109819147,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Co-La-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Co-La-Mg-O +mp-2240032,La2Mg(CoO3)2,-7.5478838027,-2.5143327011,0.2695472974,0.2695472974,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Co-La-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:Co-La-Mg-O +mp-1253150,LiAlFeO4,-7.1237238486,-2.2792560269,0.0977176169,0.0977176169,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:Al-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:Al-Fe-Li-O, expected LiAlFeO13 to be LiAlFeO4" +mp-770714,LiAlFeO4,-6.9337209857,-2.089253164,0.2877204798,0.2877204798,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:Al-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_13c:Al-Fe-Li-O, expected LiAlFeO13 to be LiAlFeO4" +mp-772390,LiAlFeO4,-7.1173737,-2.2729058783,0.1040677655,0.1040677655,GGA+U,P4_322,ABCD4_tP28_95_c_a_b_2d:Al-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_c_a_b_3d:Al-Fe-Li-O, expected LiAlFeO6 to be LiAlFeO4" +mp-770691,Li3AlFeO5,-6.5593623145,-2.2917813949,0.0687835083,0.0687835083,GGA+U,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:Al-Fe-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_6a_10a:Al-Fe-Li-O, expected Li6AlFeO10 to be Li3AlFeO5" +mp-768173,Li2Al2FeO6,-7.0547385386,-2.5584520958,0.0755006815,0.0755006815,GGA+U,C2,A2BC2D6_mC22_5_2a_a_2b_3c:Al-Fe-Li-O,44.0,A2BC2D6_mC22_5_2a_a_2b_3c:Al-Fe-Li-O +mp-1276783,Li2Al2FeO6,-7.0483203816,-2.5520339388,0.0819188386,0.0819188386,GGA+U,C2,A2BC2D6_mC88_5_2a2b2c_abc_4c_12c:Al-Fe-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mC88_5_2a2b4c_ab2c_6c_21c:Al-Fe-Li-O, expected Li2Al2FeO7 to be Li2Al2FeO6" +mp-772435,Li3Al2FeO6,-6.9487757708,-2.6681029594,0.0361007577,0.0361007577,GGA+U,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:Al-Fe-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:Al-Fe-Li-O, expected Li5Al3FeO11 to be Li3Al2FeO6" +mp-770727,Li3Al2FeO6,-6.9639889448000005,-2.6833161333,0.0208875838,0.0208875838,GGA+U,C2/m,A2BC3D6_mC24_12_g_a_dh_ij:Al-Fe-Li-O,48.0,A2BC3D6_mC24_12_g_a_dh_ij:Al-Fe-Li-O +mp-770589,Li3Al2FeO6,-6.9234675631,-2.6427947517,0.0614089654,0.0614089654,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:Al-Fe-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_21e:Al-Fe-Li-O, expected Li11Al7FeO21 to be Li3Al2FeO6" +mp-755069,LiAl2FeO6,-7.14932144,-2.3942986396,0.155235304,0.155235304,GGA+U,C2/m,A2BCD6_mC20_12_g_a_d_ij:Al-Fe-Li-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_g_a_c_2i3j:Al-Fe-Li-O, expected LiAl2FeO16 to be LiAl2FeO6" +mp-772439,Li3AlFeO4,-6.5869405932,-2.3948160949,0.0203641918,0.0203641918,GGA+U,I4_1/a,ABC3D4_tI144_88_f_f_3f_4f:Al-Fe-Li-O,72.0,"Invalid WP multiplicities - ABC3D4_tI144_88_f_f_14f_21f:Al-Fe-Li-O, expected Li14AlFeO21 to be Li3AlFeO4" +mp-777878,Li6AlFeO6,-6.0553499445,-2.2446880511,0.0952707443,0.0952707443,GGA+U,P-31c,ABC6D6_hP28_163_c_a_i_i:Al-Fe-Li-O,56.0,ABC6D6_hP28_163_c_a_i_i:Al-Fe-Li-O +mp-1177725,Li3Al(FeO3)2,-6.956387805,-2.2820112119,0.042877094,0.042877094,GGA+U,P-1,AB2C3D6_aP24_2_i_2i_3i_6i:Al-Fe-Li-O,24.0,"Invalid WP multiplicities - AB2C3D6_aP24_2_i_3i_5i_11i:Al-Fe-Li-O, expected Li5AlFe3O11 to be Li3Al(FeO3)2" +mp-770750,Li3Al(FeO3)2,-6.9369610154,-2.2625844223,0.0623038835,0.0623038835,GGA+U,P2_1/c,AB2C3D6_mP48_14_e_2e_3e_6e:Al-Fe-Li-O,48.0,"Invalid WP multiplicities - AB2C3D6_mP48_14_e_7e_11e_21e:Al-Fe-Li-O, expected Li11Al(FeO3)7 to be Li3Al(FeO3)2" +mp-756015,LiAlFeO3,-7.3346347862,-2.5072037795,0.0425274842,0.0425274842,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:Al-Fe-Li-O,24.0,ABCD3_aP12_2_i_i_i_3i:Al-Fe-Li-O +mp-772267,Li2AlFeO4,-6.9745388237,-2.4970141215,0.01753189,0.01753189,GGA+U,Pc,ABC2D4_mP16_7_a_a_2a_4a:Al-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_7_a_a_4a_8a:Al-Fe-Li-O, expected Li4AlFeO8 to be Li2AlFeO4" +mp-755524,Li2AlFeO4,-6.9655390606,-2.4880143583,0.0265316531,0.0265316531,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Al-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oP16_31_a_a_b_4a2b:Al-Fe-Li-O, expected Li2AlFeO8 to be Li2AlFeO4" +mp-770698,Li2AlFeO4,-6.896636225,-2.4191115227,0.0954344887,0.0954344887,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_7e:Al-Fe-Li-O, expected Li3AlFeO7 to be Li2AlFeO4" +mp-770702,Li2AlFeO4,-6.8879808169,-2.4104561146,0.1040898969,0.1040898969,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:Al-Fe-Li-O, expected Li3AlFeO11 to be Li2AlFeO4" +mp-770704,Li2AlFeO4,-6.9661753478,-2.4886506455,0.0258953659,0.0258953659,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_5e_13e:Al-Fe-Li-O, expected Li5AlFeO13 to be Li2AlFeO4" +mp-772430,Li2AlFeO4,-6.9533352297,-2.4758105274,0.0387354841,0.0387354841,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:Al-Fe-Li-O, expected Li3AlFeO11 to be Li2AlFeO4" +mp-755803,Li2AlFeO4,-6.9689524763,-2.491427774,0.0231182375,0.0231182375,GGA+U,C222_1,ABC2D4_oC32_20_a_b_ab_2c:Al-Fe-Li-O,16.0,ABC2D4_oC32_20_a_b_ab_2c:Al-Fe-Li-O +mp-770729,Li2AlFeO4,-6.9104745103,-2.432949808,0.0815962034,0.0815962034,GGA+U,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:Al-Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2D4_oP64_29_5a_5a_16a_31a:Al-Fe-Li-O, expected Li16Al5Fe5O31 to be Li2AlFeO4" +mp-772436,Li2AlFeO4,-6.9073352783,-2.429810576,0.0847354355,0.0847354355,GGA+U,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:Al-Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2D4_oP64_29_5a_5a_16a_31a:Al-Fe-Li-O, expected Li16Al5Fe5O31 to be Li2AlFeO4" +mp-1251093,Li2AlFeO4,-6.9318817659,-2.4543570636,0.0601889478,0.0601889478,GGA+U,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:Al-Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2D4_oP64_29_5a_5a_16a_31a:Al-Fe-Li-O, expected Li16Al5Fe5O31 to be Li2AlFeO4" +mp-770707,Li2AlFeO4,-6.9669801725,-2.4894554702,0.0250905412,0.0250905412,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:Al-Fe-Li-O, expected Li5AlFeO13 to be Li2AlFeO4" +mp-770733,Li2AlFeO4,-6.9660134284,-2.4884887261,0.0260572853,0.0260572853,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:Al-Fe-Li-O, expected Li5AlFeO13 to be Li2AlFeO4" +mp-770629,Li2AlFeO4,-6.9653395912,-2.487814889,0.0267311225,0.0267311225,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:Al-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_5c3d:Al-Fe-Li-O, expected Li2AlFeO11 to be Li2AlFeO4" +mp-1214310,Ca2Gd3Si3O13,-9.5670075879,-3.5278421680000003,0.0064291751,0.0064291751,GGA,P6_3/m,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-Gd-O-Si,42.0,A2B3C13D3_hP42_176_f_h_a2hi_h:Ca-Gd-O-Si +mp-610787,Gd(CrSi)2,-9.284776492,-0.438205844,0.0639658578,0.0639658578,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Cr-Gd-Si,5.0,A2BC2_tI10_139_d_a_e:Cr-Gd-Si +mp-1350370,Ca3Si4(SnO7)2,-7.5526590865,-2.9878391984,0.1046718466,0.1046718466,GGA,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Ca-O-Si-Sn,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Ca-O-Si-Sn, expected Ca3Si5SnO27 to be Ca3Si4(SnO7)2" +mp-1249213,Ca3Si4(SnO7)2,-7.5888634028,-3.0240435147,0.0684675303,0.0684675303,GGA,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Ca-O-Si-Sn,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ce:Ca-O-Si-Sn, expected Ca3Si5SnO27 to be Ca3Si4(SnO7)2" +mp-1330803,Ca3Si3(SnO6)2,-7.4049263024,-2.9213182036000003,0.1448646847,0.1448646847,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Sn,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Sn +mp-1182049,CaSi3SnO11,-7.1668671942,-2.3728233412,0.3257497658,0.3257497658,GGA,Pnna,AB11C3D_oP64_52_d_c5e_de_a:Ca-O-Si-Sn,64.0,AB11C3D_oP64_52_d_c5e_de_a:Ca-O-Si-Sn +mp-1043411,CaSi4SnO10,-7.8966021364,-3.0726439509,0.0471655788,0.0471655788,GGA,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Ca-O-Si-Sn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Ca-O-Si-Sn, expected CaSi4SnO22 to be CaSi4SnO10" +mp-1255815,CaSi2SnO6,-7.576560356,-2.9219663498,0.1089096443,0.1089096443,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Sn,20.0,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Sn +mp-1041529,CaSi2SnO6,-7.610153185,-2.9555591788,0.0753168153,0.0753168153,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Ca-O-Si-Sn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Ca-O-Si-Sn, expected CaSi8SnO41 to be CaSi2SnO6" +mp-15095,Ca3Si2SnO9,-7.5594483687,-3.1996346382,0.0,-0.0045117863,GGA,P2_1/c,A3B9C2D_mP60_14_3e_9e_2e_e:Ca-O-Si-Sn,60.0,"Invalid WP multiplicities - A3B9C2D_mP60_14_3e_12e_2e_e:Ca-O-Si-Sn, expected Ca3Si2SnO12 to be Ca3Si2SnO9" +mp-695070,Ca3Ga2Si(SnO6)2,-7.0574957271,-2.8136098291,0.0,-0.0312146769,GGA,I4_1/acd,A3B2C12DE2_tI160_142_be_e_3g_a_c:Ca-Ga-O-Si-Sn,80.0,"Invalid WP multiplicities - A3B2C12DE2_tI160_142_4b3e_e_36g_a_c:Ca-Ga-O-Si-Sn, expected Ca10Ga2Si(SnO72)2 to be Ca3Ga2Si(SnO6)2" +mp-644103,CaSiSnO5,-7.4592495356,-2.9375078705,0.0086142767,0.0086142767,GGA,P-1,AB5CD_aP16_2_i_5i_i_ab:Ca-O-Si-Sn,16.0,AB5CD_mC32_15_e_e2f_e_c:Ca-O-Si-Sn +mp-726359,CaSiSnO5,-6.273818185,-1.7520765198,1.1940456273,1.1940456273,GGA,P-1,AB5CD_aP16_2_i_5i_i_ac:Ca-O-Si-Sn,16.0,AB5CD_aP16_2_i_5i_i_ac:Ca-O-Si-Sn +mp-6809,CaSiSnO5,-7.4594491356,-2.9377074705,0.0084146767,0.0084146767,GGA,C2/c,AB5CD_mC32_15_e_e2f_e_a:Ca-O-Si-Sn,16.0,"Invalid WP multiplicities - AB5CD_mC32_15_e_e3f_e_c:Ca-O-Si-Sn, expected CaSiSnO7 to be CaSiSnO5" +mp-1521979,NaEuDySeO6,-3.6569079622,1.2793278056,3.8936770705,3.8936770705,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Dy-Eu-Na-O-Se,,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_2c2d_6m_f:Dy-Eu-Na-O-Se, expected Na2EuDySeO12 to be NaEuDySeO6" +mp-1522079,NaEuDySeO6,-7.357795237,-2.4215594691,0.1927897957,0.1927897957,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-Se +mp-1214674,Ba2Tm2CuPtO8,-7.170557458,-2.7038810004,0.0172930196,0.0172930196,GGA,Pnma,A2BC8DE2_oP56_62_2c_c_2c3d_c_2c:Ba-Cu-O-Pt-Tm,56.0,A2BC8DE2_oP56_62_2c_c_2c3d_c_2c:Ba-Cu-O-Pt-Tm +mp-865317,Tm2CuPt,-5.597299255,-0.8167965458,0.0,-0.0055122271,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pt-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Pt-Tm +mp-1101257,Tm2Pt2O7,-7.5575237368,-2.49200024,0.0,-0.1254346557,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Tm,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_a2f_d_c:O-Pt-Tm, expected Tm2Pt2O13 to be Tm2Pt2O7" +mp-776091,LiLaNdSbO6,-7.5752979055,-3.0330768143,0.0059362145,0.0059362145,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:La-Li-Nd-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_11i_be:La-Li-Nd-O-Sb, expected LiLaNdSbO11 to be LiLaNdSbO6" +mp-1222859,Li2La3Nd(SbO6)2,-7.5963148645,-3.0457007897,0.0054890175,0.0054890175,GGA,P1,A3B2CD12E2_aP20_1_3a_2a_a_12a_2a:La-Li-Nd-O-Sb,20.0,A3B2CD12E2_aP20_1_3a_2a_a_12a_2a:La-Li-Nd-O-Sb +mp-1018769,Li3NdSb2,-4.0304704783,-0.9049840596,0.0,-0.02571181,GGA,P-3m1,A3BC2_hP6_164_ad_b_d:Li-Nd-Sb,6.0,A3BC2_hP6_164_ad_b_d:Li-Nd-Sb +mp-20106,Li2NdSb2,-4.171903047,-0.8031039178,0.1061025007,0.1061025007,GGA,P4/nmm,A2BC2_tP10_129_ac_c_bc:Li-Nd-Sb,10.0,A2BC2_tP10_129_ac_c_bc:Li-Nd-Sb +mp-1211777,Li3Nd2Sb3,-3.4223429463,0.0339154519,1.0321692962,1.0321692962,GGA,P4/mmm,A3B2C3_tP8_123_ag_g_bg:Li-Nd-Sb,8.0,A3B2C3_tP8_123_ag_g_bg:Li-Nd-Sb +mp-1228134,Ba4Sm(CuO3)3,-6.4264128188,-2.3551008008,0.0022396231,0.0022396231,GGA,Pm-3,A4B3C9D_cP34_200_i_cd_efh_ab:Ba-Cu-O-Sm,34.0,A4B3C9D_cP34_200_i_cd_efh_ab:Ba-Cu-O-Sm +mp-1214478,Ba4Sm(CuO3)3,-6.4273431856,-2.3560311676,0.0013092564,0.0013092564,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Sm,34.0,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Sm +mp-1214577,Ba2Sm(CuO2)4,-6.3467012887,-2.0449097963,0.0,-0.022118294,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Sm,15.0,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Sm +mp-1229306,BaLaSmCuO5,-7.4912581089,-3.001678286,0.0332615676,0.0332615676,GGA,Cmmm,ABCD5E_oC36_65_e_ab_h_fno_j:Ba-Cu-La-O-Sm,18.0,"Invalid WP multiplicities - ABCD5E_oC36_65_e_ab_h_f2n2o_j:Ba-Cu-La-O-Sm, expected BaLaSmCuO9 to be BaLaSmCuO5" +mp-21451,Ba2SmCu3O7,-6.4377013777,-2.1699339159,0.0249439479,0.0249439479,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Sm,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Sm +mp-1229115,Ba10Sm5(Cu5O11)3,-6.4335974092,-2.1873830029,0.0225271772,0.0225271772,GGA,P-1,A10B15C33D5_aP63_2_5i_a7i_f16i_c2i:Ba-Cu-O-Sm,63.0,"Invalid WP multiplicities - A10B15C33D5_aP63_2_10i_a13i_f32i_c3i:Ba-Cu-O-Sm, expected Ba20Sm7Cu27O65 to be Ba10Sm5(Cu5O11)3" +mp-622576,Ba2Sm(CuO2)3,-6.4342764417,-2.2230857506,0.0004023053,0.0004023053,GGA,P4/mmm,A2B3C6D_tP12_123_h_ag_gi_d:Ba-Cu-O-Sm,12.0,"Invalid WP multiplicities - A2B3C6D_tP12_123_h_a2g_g2i_d:Ba-Cu-O-Sm, expected Ba2Sm(CuO2)5 to be Ba2Sm(CuO2)3" +mp-21568,BaSm2CuO5,-7.471776315,-3.0063543776,0.0251991901,0.0251991901,GGA,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Sm,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Sm +mp-636383,Ba4Sm2Cu2O9,-6.8454395615,-2.7376934573,0.0126657304,0.0126657304,GGA,P-4n2,A4B2C9D2_tP34_118_i_f_afgi_f:Ba-Cu-O-Sm,34.0,"Invalid WP multiplicities - A4B2C9D2_tP34_118_i_f_2a3f3g5i_f:Ba-Cu-O-Sm, expected Ba2SmCuO17 to be Ba4Sm2Cu2O9" +mp-1191145,Rb2LaNb2O7,-8.1459526542,-3.0020771284,0.0,-0.0234312484,GGA,Cmcm,AB2C7D2_oC48_63_c_g_c2eg_g:La-Nb-O-Rb,24.0,AB2C7D2_oC48_63_c_g_c2eg_g:La-Nb-O-Rb +mp-553965,RbLaNb2O7,-8.7278584395,-3.2054973272,0.0264479645,0.0264479645,GGA,Imma,AB2C7D_oI44_74_e_h_e2gh_a:La-Nb-O-Rb,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_e_h_2e8g4h_a:La-Nb-O-Rb, expected RbLaNb2O26 to be RbLaNb2O7" +mp-1211272,La3Nb(ClO2)3,-7.7856457796,-3.1598712717,0.1869510223,0.1869510223,GGA,P6_3/m,A3B3CD6_hP26_176_h_h_c_i:Cl-La-Nb-O,26.0,A3B3CD6_hP26_176_h_h_c_i:Cl-La-Nb-O +mp-554475,LaNb2ClO6,-8.8738142833,-3.207085672,0.0150870211,0.0150870211,GGA,Pnma,ABC2D6_oP40_62_c_c_ac_2c2d:Cl-La-Nb-O,40.0,"Invalid WP multiplicities - ABC2D6_oP40_62_c_c_2ac_7c13d:Cl-La-Nb-O, expected LaNb3ClO33 to be LaNb2ClO6" +mp-1209583,Rb2LaNb5O15,-8.8195010498,-3.0975910011,0.0,-0.0107967153,GGA,P4/mbm,AB5C15D2_tP46_127_a_cj_dhi2j_g:La-Nb-O-Rb,46.0,AB5C15D2_tP46_127_a_cj_dhi2j_g:La-Nb-O-Rb +mp-1209483,Rb2LaNb2ClO7,-7.9256580454,-3.0352701247,0.0448178165,0.0448178165,GGA,P4/mmm,ABC2D7E2_tP13_123_b_c_g_agi_h:Cl-La-Nb-O-Rb,13.0,ABC2D7E2_tP13_123_b_c_g_agi_h:Cl-La-Nb-O-Rb +mp-1103803,Rb2LaNb2O8,-7.9553935877,-2.8266862785,0.1190470843,0.1190470843,GGA,P4/mmm,AB2C8D2_tP13_123_c_g_abgi_h:La-Nb-O-Rb,13.0,AB2C8D2_tP13_123_c_g_abgi_h:La-Nb-O-Rb +mp-1198575,Rb3La(Cl3O)2,-3.9460716043,-1.5408877122,0.6581159959,0.6581159959,GGA,P6_3/m,A6BC2D3_hP72_176_2h2i_h_i_bfi:Cl-La-O-Rb,72.0,A6BC2D3_hP72_176_2h2i_h_i_bfi:Cl-La-O-Rb +mp-1179722,RbLa(ClO)4,-4.5203050665,-1.2105608002,0.593477212,0.593477212,GGA,P2_12_12,A4BC4D_oP20_18_2c_a_2c_b:Cl-La-O-Rb,20.0,A4BC4D_oP20_18_2c_a_2c_b:Cl-La-O-Rb +mp-1227317,Ca4Ti4Si3GeO20,-8.351689875,-3.3692797576,0.0009648302,0.0009648302,GGA,P1,A4BC20D3E4_aP32_1_4a_a_20a_3a_4a:Ca-Ge-O-Si-Ti,32.0,A4BC20D3E4_aP32_1_4a_a_20a_3a_4a:Ca-Ge-O-Si-Ti +mp-1157680,CaTi(SiO3)2,-8.2031826515,-3.1599966291,0.1337493034,0.1337493034,GGA,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Ti,20.0,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-Ti +mp-1041564,CaTi(SiO3)2,-8.1155209869,-3.0723349645,0.221410968,0.221410968,GGA,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Ca-O-Si-Ti,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Ca-O-Si-Ti, expected CaTiSi8O41 to be CaTi(SiO3)2" +mp-1154470,Ca3Ti2(SiO4)3,-8.2615536336,-3.3893535187,0.0232952201,0.0232952201,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Ti,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Ti +mp-704836,CaTiSiO5,-7.4239261759,-2.4164444906,1.0605523434,1.0524861751,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Ca-O-Si-Ti,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_17e_e_e:Ca-O-Si-Ti, expected CaTiSiO17 to be CaTiSiO5" +mp-6109,CaTiSiO5,-8.4844785194,-3.476996834,0.0,-0.0080661683,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Ca-O-Si-Ti,32.0,AB5CD_mP32_14_e_5e_e_e:Ca-O-Si-Ti +mp-6440,CaTiSiO5,-8.4843608531,-3.4768791678,0.0001176663,-0.0079485021,GGA,C2/c,AB5CD_mC32_15_e_e2f_e_a:Ca-O-Si-Ti,16.0,"Invalid WP multiplicities - AB5CD_mC32_15_e_e3f_e_c:Ca-O-Si-Ti, expected CaTiSiO7 to be CaTiSiO5" +mp-1229240,Ca3Ti3Si2GeO15,-8.3065388772,-3.3324859491,0.0021745566,0.0021745566,GGA,P1,A3BC15D2E3_aP96_1_12a_4a_60a_8a_12a:Ca-Ge-O-Si-Ti,96.0,A3BC15D2E3_aP96_1_12a_4a_60a_8a_12a:Ca-Ge-O-Si-Ti +mp-1043438,CaTi(Si2O5)2,-8.2323831217,-3.1655549261,0.1185483151,0.1185483151,GGA,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Ca-O-Si-Ti,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Ca-O-Si-Ti, expected CaTi(Si2O11)2 to be CaTi(Si2O5)2" +mp-9413,Ca2TiSiO6,-8.099735941,-3.3985217336,0.1043021906,0.1043021906,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Si-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Si-Ti +mp-1227370,Ca2Ti2SiGeO10,-8.2181319206,-3.2607933712,0.0026989703,0.0026989703,GGA,C2,A2BC10DE2_mC32_5_ab_a_ab4c_b_c:Ca-Ge-O-Si-Ti,16.0,A2BC10DE2_mC32_5_ab_a_ab4c_b_c:Ca-Ge-O-Si-Ti +mp-1267920,Ca3Ti2(Si2O7)2,-8.2439091478,-3.3411831587,0.0526025389,0.0526025389,GGA,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Ca-O-Si-Ti,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Ca-O-Si-Ti, expected Ca3TiSi5O27 to be Ca3Ti2(Si2O7)2" +mp-1518545,SrNdNiSbO6,-7.086452918,-2.4817618107,0.1285306094,0.1285306094,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Nd-Ni-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Nd-Ni-O-Sb-Sr +mp-1232351,SrNb2NiClO7,-7.8971926667,-2.5515595123,0.1407932056,0.1407932056,GGA+U,P4/mmm,AB2CD7E_tP12_123_c_g_a_bgi_d:Cl-Nb-Ni-O-Sr,12.0,"Invalid WP multiplicities - AB2CD7E_tP12_123_c_g_a_b2g3i_d:Cl-Nb-Ni-O-Sr, expected SrNb2NiClO17 to be SrNb2NiClO7" +mp-1520667,NaEuNbInO6,-7.949701462,-2.5384366489,0.180990066,0.180990066,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Eu-In-Na-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Eu-In-Na-Nb-O +mp-1096475,Ba2TlPb,-1.4220949125,1.0562151117,1.5528678281,1.5528678281,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Pb-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Pb-Tl +mp-1097529,BaTl2Pb,-1.4325162525,1.1567108233,1.4819048331,1.4819048331,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Pb-Tl,4.0,ABC2_oI8_71_a_b_e:Ba-Pb-Tl +mp-1046253,Ba2Tl2Bi3O10,-5.8111909518,-1.719920912,0.1255915264,0.1255915264,GGA,P1,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Bi-O-Tl,17.0,A2B3C10D2_aP17_1_2a_3a_10a_2a:Ba-Bi-O-Tl +mp-684884,Ba4TlBiPb2O9,-5.8475136518,-1.9754827942,0.1924804006,0.1924804006,GGA,Pccm,A4BC9D2E_oP34_49_efj_c_g4q_q_b:Ba-Bi-O-Pb-Tl,34.0,"Invalid WP multiplicities - A4BC9D2E_oP34_49_2e2fj_c_g14q_q_b:Ba-Bi-O-Pb-Tl, expected Ba6TlBiPb2O29 to be Ba4TlBiPb2O9" +mp-1046056,Ba2TlBi2O7,-5.9124044467,-1.8700384245,0.1679706685,0.1679706685,GGA,P4/mmm,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Bi-O-Tl,12.0,A2B2C7D_tP12_123_h_g_cgi_a:Ba-Bi-O-Tl +mp-677325,Ba8Tl2Bi2Pb4O17,-5.9121728827,-2.0727074147,0.0926471123,0.0926471123,GGA,P1,A8B2C17D4E2_aP33_1_8a_2a_17a_4a_2a:Ba-Bi-O-Pb-Tl,33.0,A8B2C17D4E2_aP33_1_8a_2a_17a_4a_2a:Ba-Bi-O-Pb-Tl +mp-1048100,BaTl(BiO3)2,-5.7208854045,-1.5566125431,0.2571974022,0.2571974022,GGA,I4/mmm,AB2C6D_tI40_139_e_2e_2e2g_e:Ba-Bi-O-Tl,20.0,"Invalid WP multiplicities - AB2C6D_tI40_139_e_3e_4e6g_e:Ba-Bi-O-Tl, expected BaTlBi3O16 to be BaTl(BiO3)2" +mp-1523329,SrCaDyNbO6,-8.147998473,-3.3396667249,0.1462661739,0.1462661739,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Nb-O-Sr +mp-1517339,Eu2NiBiO6,-8.041423329,-2.0599471612,0.220751056,0.220751056,GGA+U,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Eu-Ni-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Eu-Ni-O +mp-1521776,CaEuNiBiO6,-7.124280498,-1.9679445222,0.2103930578,0.2103930578,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-Eu-Ni-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-Eu-Ni-O +mp-1518868,BaSrHfNbO6,-8.777061827,-3.4423523539,0.0542642285,0.0542642285,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Hf-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Hf-Nb-O-Sr +mp-1518832,BaNaPrNbO6,-7.6880458362,-2.9076615067,0.1192705472,0.1192705472,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Na-Nb-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Na-Nb-O-Pr, expected BaNa2PrNbO12 to be BaNaPrNbO6" +mp-1518595,BaNaPrNbO6,-7.667612383,-2.8872280534,0.1397040005,0.1397040005,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nb-O-Pr +mp-2241016,Nd2MgCr2O8,-8.2011214915,-2.8152615265,0.1277639375,0.1277639375,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Cr-Mg-Nd-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Cr-Mg-Nd-O +mp-2218324,Nd2MgCr2O8,-8.1965031523,-2.8106431873,0.1323822767,0.1323822767,GGA+U,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Cr-Mg-Nd-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_8c:Cr-Mg-Nd-O, expected Nd2MgCr2O16 to be Nd2MgCr2O8" +mp-1225973,CsSm2Ti2NbO10,-8.7575238644,-3.4017894376,0.0635713783,0.0635713783,GGA,Cm,ABC10D2E2_mC32_8_a_a_4a3b_2a_2a:Cs-Nb-O-Sm-Ti,16.0,ABC10D2E2_mC32_8_a_a_4a3b_2a_2a:Cs-Nb-O-Sm-Ti +mp-1323661,Mg2TaCrO6,-8.3893685148,-2.950216768,0.0966421004,0.0966421004,GGA+U,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Cr-Mg-O-Ta,40.0,AB2C6D_mP20_11_a_2e_2e2f_c:Cr-Mg-O-Ta +mp-1663786,Mg2Ta2CrO8,-8.9278010612,-3.0706724058,0.0296837089,0.0296837089,GGA+U,P-1,AB2C8D2_aP26_2_i_2i_8i_2i:Cr-Mg-O-Ta,26.0,"Invalid WP multiplicities - AB2C8D2_aP26_2_i_4i_16i_4i:Cr-Mg-O-Ta, expected Mg4Ta4CrO16 to be Mg2Ta2CrO8" +mp-1046089,Mg2Ta2CrO8,-8.9265867242,-3.0694580688,0.0308980459,0.0308980459,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Cr-Mg-O-Ta,26.0,"Invalid WP multiplicities - AB2C8D2_aP26_2_i_4i_15i_4i:Cr-Mg-O-Ta, expected Mg4Ta4CrO15 to be Mg2Ta2CrO8" +mp-1049266,LaMgTaCrO6,-8.906975686500001,-3.1342512342,0.1166678522,0.1166678522,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Cr-La-Mg-O-Ta,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Cr-La-Mg-O-Ta, expected LaMgTaCrO12 to be LaMgTaCrO6" +mp-558201,ZrMn2Ag4(MoO4)6,-7.8974278837,-1.8975255876,0.0,-0.0150071873,GGA+U,P2_12_12_1,A4B2C6D24E_oP148_19_4a_2a_6a_24a_a:Ag-Mn-Mo-O-Zr,148.0,"Invalid WP multiplicities - A4B2C6D24E_oP148_19_12a_7a_23a_93a_a:Ag-Mn-Mo-O-Zr, expected ZrMn7Ag12Mo23O93 to be ZrMn2Ag4(MoO4)6" +mp-631561,ZrAgMo,-6.4538935767,0.9547420044,1.0648417689,1.0648417689,GGA,F-43m,ABC_cF12_216_c_a_b:Ag-Mo-Zr,3.0,ABC_cF12_216_c_a_b:Ag-Mo-Zr +mp-1519881,SrCaCeFeO6,-7.556455284,-2.7786216874000003,0.17366941,0.17366941,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Fe-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Fe-O-Sr +mp-1522103,BaSrCeFeO6,-7.617395765,-2.8482246624,0.059628074,0.059628074,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Fe-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Ce-Fe-O-Sr +mp-1518697,SrEuZrTiO6,-9.36655151,-3.5595694932,0.0546887593,0.0546887593,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Ti-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Ti-Zr +mp-1173184,SrLi3La11(CoO8)3,-7.9673971857,-3.1636395033,0.0306990825,0.0306990825,GGA+U,C2/m,A3B11C3D24E_mC168_12_3i_5i3j_gj_6i9j_i:Co-La-Li-O-Sr,,"Invalid WP multiplicities - A3B11C3D24E_mC168_12_6i_10i11j_2g3j_12i32j_i:Co-La-Li-O-Sr, expected SrLi8La32(Co3O38)2 to be SrLi3La11(CoO8)3" +mp-766205,SrLiLa15(CoO8)4,-8.1441162142,-3.1560816324,0.0381035903,0.0381035903,GGA+U,P1,A4B15CD32E_aP53_1_4a_15a_a_32a_a:Co-La-Li-O-Sr,53.0,A4B15CD32E_aP53_1_4a_15a_a_32a_a:Co-La-Li-O-Sr +mp-766206,SrLi4La15(CoO8)4,-8.0119531141,-3.1888709456,0.0240141958,0.0240141958,GGA+U,C2,A4B15C4D32E_mC112_5_abc_a2b6c_2c_2a2b14c_a:Co-La-Li-O-Sr,56.0,"Invalid WP multiplicities - A4B15C4D32E_mC112_5_abc_a2b11c_4c_2a2b23c_a:Co-La-Li-O-Sr, expected SrLi8La25(Co2O25)2 to be SrLi4La15(CoO8)4" +mp-779308,SrLiLa7(CoO8)2,-7.9979817433,-3.127088372,0.0208049701,0.0208049701,GGA+U,P1,A2B7CD16E_aP27_1_2a_7a_a_16a_a:Co-La-Li-O-Sr,27.0,A2B7CD16E_aP27_1_2a_7a_a_16a_a:Co-La-Li-O-Sr +mp-19206,LiLa4CoO8,-8.1139210679,-3.2328654413,0.0356593673,0.0356593673,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O,28.0,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O +mp-1277483,LiLa4CoO8,-8.1102826154,-3.2292269888,0.0392978198,0.0392978198,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O,56.0,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O +mp-1298961,LiLa4CoO8,-8.1104440755,-3.229388449,0.0391363596,0.0391363596,GGA+U,Cmmm,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O,56.0,AB4CD8_oC28_65_a_gh_c_ghn:Co-La-Li-O +mp-753934,LiLa4CoO8,-8.1142872059,-3.2332315793,0.0352932293,0.0352932293,GGA+U,I4_1/amd,AB4CD8_tI56_141_a_2e_b_2eg:Co-La-Li-O,56.0,AB4CD8_tI56_141_a_2e_b_2eg:Co-La-Li-O +mp-2219680,MgCrCo3O8,-7.1082207438,-1.5580830058,0.1733588978,0.1733588978,GGA+U,P1,A3BCD8_aP13_1_3a_a_a_8a:Co-Cr-Mg-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Cr-Mg-O +mp-2218846,MgCrCo3O8,-7.0868700492,-1.5367323112,0.1947095924,0.1947095924,GGA+U,C2/m,A3BCD8_mC26_12_cf_a_b_2ij:Co-Cr-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_c2e_b_a_4i3j:Co-Cr-Mg-O, expected MgCr(CoO4)5 to be MgCrCo3O8" +mp-2226873,MgCrCo3O8,-7.1731407777,-1.6230030396,0.1084388639,0.1084388639,GGA+U,C2/m,A3BCD8_mC26_12_af_c_b_2ij:Co-Cr-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_bf_c_a_4ij:Co-Cr-Mg-O, expected MgCr(CoO4)3 to be MgCrCo3O8" +mp-2231116,La2MgCr2(CoO6)2,-7.7519663732,-2.2595827245,0.1831863372,0.1831863372,GGA+U,P1,A2B2C2DE12_aP19_1_2a_2a_2a_a_12a:Co-Cr-La-Mg-O,19.0,A2B2C2DE12_aP19_1_2a_2a_2a_a_12a:Co-Cr-La-Mg-O +mp-1031979,Mg6CrCoO8,-6.7504741575,-2.6294394541,0.1284990005,0.1284990005,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Cr-Mg-O, expected Mg6CrCoO12 to be Mg6CrCoO8" +mp-1032010,Mg6CrCoO8,-6.7701904431,-2.6491557397000003,0.1087827148,0.1087827148,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-Cr-Mg-O, expected Mg6CrCoO12 to be Mg6CrCoO8" +mp-1047796,LaMgCrCoO6,-7.723623171,-2.4258447023,0.1720792364,0.1720792364,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Co-Cr-La-Mg-O,20.0,"Invalid WP multiplicities - ABCDE6_mP20_7_a_a_a_a_12a:Co-Cr-La-Mg-O, expected LaMgCrCoO12 to be LaMgCrCoO6" +mp-2230232,MgCrCo5O12,-6.9692901011,-1.38217531,0.1440682548,0.1440682548,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Cr-Mg-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Cr-Mg-O +mp-2230698,MgCrCo5O12,-7.0111403642,-1.4240255732,0.1022179916,0.1022179916,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Cr-Mg-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Cr-Mg-O +mp-2230385,MgCr2(CoO3)4,-7.2504844316,-1.5294364997,0.1511565911,0.1511565911,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:Co-Cr-Mg-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:Co-Cr-Mg-O +mp-2229998,MgCr2(CoO3)4,-7.2136573153,-1.4926093834,0.1879837074,0.1879837074,GGA+U,C2,A4B2CD12_mC38_5_2c_c_a_6c:Co-Cr-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mC38_5_2c_c_a_12c:Co-Cr-Mg-O, expected MgCr2(CoO6)4 to be MgCr2(CoO3)4" +mp-1035031,Mg14CrCoO16,-6.5468397197,-2.8495801777,0.0564091993,0.0564091993,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-Cr-Mg-O, expected Mg18CrCoO20 to be Mg14CrCoO16" +mp-1035006,Mg14CrCoO16,-6.5402513081,-2.8429917661,0.0629976109,0.0629976109,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-Cr-Mg-O, expected Mg30CrCoO32 to be Mg14CrCoO16" +mp-2218835,MgCr2(CoO4)2,-7.3089766785,-1.5630905038,0.3860688628,0.3860688628,GGA+U,C2/m,A2B2CD8_mC26_12_ac_i_b_2ij:Co-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_ac_i_b_4ij:Co-Cr-Mg-O, expected MgCr2(CoO6)2 to be MgCr2(CoO4)2" +mp-2219132,MgCr2(CoO4)2,-7.4494323885,-1.7035462138000002,0.2456131528,0.2456131528,GGA+U,Amm2,A2B2CD8_oC26_38_c_ab_a_2cde:Co-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_c_ab_a_4cde:Co-Cr-Mg-O, expected MgCr2(CoO6)2 to be MgCr2(CoO4)2" +mp-2217099,MgCr(CoO3)2,-7.221024254,-1.7060147162,0.2128821286,0.2128821286,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Mg-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Mg-O +mp-2217221,MgCr(CoO3)2,-7.200355632,-1.6853460942,0.2335507506,0.2335507506,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Mg-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Cr-Mg-O +mp-2223659,MgCr(CoO3)2,-7.232718183,-1.7177086452,0.2011881996,0.2011881996,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Cr-Mg-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Cr-Mg-O +mp-1036988,Mg30CrCoO32,-6.4394072631,-2.9540353018000003,0.0259795364,0.0259795364,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-Cr-Mg-O, expected Mg90CrCoO80 to be Mg30CrCoO32" +mp-1036952,Mg30CrCoO32,-6.4361680295,-2.9507960682,0.02921877,0.02921877,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-Cr-Mg-O, expected Mg110CrCoO72 to be Mg30CrCoO32" +mp-532565,SrLa7TiGa7O24,-7.7528834514,-3.1515275406,0.0434740476,0.0434740476,GGA,P2_1,A7B7C24DE_mP80_4_7a_7a_24a_a_a:Ga-La-O-Sr-Ti,80.0,"Invalid WP multiplicities - A7B7C24DE_mP80_4_14a_13a_48a_a_a:Ga-La-O-Sr-Ti, expected SrLa13Ti(Ga7O24)2 to be SrLa7TiGa7O24" +mp-720505,SrLa7TiGa7O24,-7.7818245471,-3.1804686363,0.0145329519,0.0145329519,GGA,C2,A7B7C24DE_mC160_5_7c_ab6c_ab23c_c_c:Ga-La-O-Sr-Ti,80.0,"Invalid WP multiplicities - A7B7C24DE_mC160_5_13c_ab12c_ab46c_c_c:Ga-La-O-Sr-Ti, expected SrLa13TiGa13O47 to be SrLa7TiGa7O24" +mp-1223323,La8Ti2Ga2O19,-8.60227764,-3.5918802712,0.046829808,0.046829808,GGA,Pm,A2B8C19D2_mP31_6_ab_4a4b_10a9b_ab:Ga-La-O-Ti,31.0,A2B8C19D2_mP31_6_ab_4a4b_10a9b_ab:Ga-La-O-Ti +mp-1211258,La3TiGa5O14,-7.6706833617,-3.0142644312,0.0,-0.00302277,GGA,P321,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Ti,23.0,A5B3C14D_hP23_150_df_e_d2g_a:Ga-La-O-Ti +mp-1223729,La5Ti4GaO17,-8.9487770702,-3.6382656737,0.0277902815,0.0277902815,GGA,Pnnm,AB5C17D4_oP54_58_a_c2g_b8g_2g:Ga-La-O-Ti,54.0,AB5C17D4_oP54_58_a_c2g_b8g_2g:Ga-La-O-Ti +mp-561894,Ba2CoMoO6,-7.604548041,-2.4573430358,0.009215751,-0.0313592838,GGA+U,I4/mmm,A2BCD6_tI20_139_d_a_b_eh:Ba-Co-Mo-O,20.0,A2BCD6_tI20_139_d_a_b_eh:Ba-Co-Mo-O +mp-18967,Ba2CoMoO6,-7.613763792,-2.4665587868,0.0,-0.0405750348,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Co-Mo-O,20.0,A2BCD6_cF40_225_c_a_b_e:Ba-Co-Mo-O +mp-2219761,MgCo2(MoO4)2,-7.5877449938,-1.65838149,0.3169864133,0.3169864133,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Co-Mg-Mo-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Co-Mg-Mo-O +mp-2220006,MgCo2(MoO4)2,-7.8210464454,-1.8916829415,0.0836849617,0.0836849617,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Co-Mg-Mo-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Co-Mg-Mo-O +mp-2218815,MgCo2(MoO4)2,-7.6227580146,-1.6933945108,0.2819733925,0.2819733925,GGA+U,P2,A2BC2D8_mP13_3_ac_a_bd_4e:Co-Mg-Mo-O,13.0,A2BC2D8_mP13_3_ac_a_bd_4e:Co-Mg-Mo-O +mp-2219348,MgCo2(MoO4)2,-7.6136483638,-1.68428486,0.2910830433,0.2910830433,GGA+U,P2,A2BC2D8_mP13_3_cd_a_ab_4e:Co-Mg-Mo-O,13.0,A2BC2D8_mP13_3_bc_a_ad_4e:Co-Mg-Mo-O +mp-2242140,Ba2MgCoMoO6,-7.0843156,-2.259558318,0.3190233168,0.3190233168,GGA+U,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Co-Mg-Mo-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e3l:Ba-Co-Mg-Mo-O, expected Ba2MgCoMoO16 to be Ba2MgCoMoO6" +mp-1042604,MgCoMo2O7,-7.8443744391,-1.932854526,0.1680317677,0.1680317677,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Co-Mg-Mo-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_2e_3e_7e_17e:Co-Mg-Mo-O, expected Mg3Co2Mo7O17 to be MgCoMo2O7" +mp-756318,Al2CoCl8,-4.3731063191,-1.701491525,0.002895125,-0.0040463927,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-Co,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_13f_e:Al-Cl-Co, expected Al2CoCl26 to be Al2CoCl8" +mp-540759,Al2CoCl8,-4.3760014441,-1.70438665,0.0,-0.0069415177,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-Co,22.0,A2B8C_mC44_15_f_4f_e:Al-Cl-Co +mp-1264957,AlCo3Se2ClO8,-6.3709089,-1.4719489986,0.203193193,0.203193193,GGA+U,P-1,ABC3D8E2_aP30_2_i_i_abdfi_8i_2i:Al-Cl-Co-O-Se,30.0,"Invalid WP multiplicities - ABC3D8E2_aP30_2_i_i_abdfi_15i_2i:Al-Cl-Co-O-Se, expected AlCo3Se2ClO15 to be AlCo3Se2ClO8" +mp-1105151,Co3Se4(ClO5)2,-5.9114521424,-1.2550016304,0.0011297197,0.0011297197,GGA+U,C2/m,A2B3C10D4_mC38_12_i_ah_h2j_j:Cl-Co-O-Se,38.0,A2B3C10D4_mC38_12_i_ah_h2j_j:Cl-Co-O-Se +mp-1213819,CoSeClO6,-4.9686621789,-0.2872290455,0.6553749251000001,0.6553749251000001,GGA+U,P-1,ABC6D_aP18_2_i_be_6i_i:Cl-Co-O-Se,18.0,ABC6D_aP18_2_i_be_6i_i:Cl-Co-O-Se +mp-572877,Co5Se4(ClO6)2,-6.1991128017,-1.3042183348,0.0013724911,0.0013724911,GGA+U,P-1,A2B5C12D4_aP23_2_i_a2i_6i_2i:Cl-Co-O-Se,46.0,"Invalid WP multiplicities - A2B5C12D4_aP23_2_i_2a4i_6i_2i:Cl-Co-O-Se, expected Co5Se2ClO6 to be Co5Se4(ClO6)2" +mp-1195181,Co4Se3Cl2O9,-6.1436120379,-1.3025966305,0.0,-0.0118125026,GGA+U,Pnma,A2B4C9D3_oP72_62_d_2d_c4d_cd:Cl-Co-O-Se,72.0,A2B4C9D3_oP72_62_d_2d_c4d_cd:Cl-Co-O-Se +mp-1283659,Sr2MnGaO5,-7.1517569033,-2.6736967058000003,0.0036140817,-0.0032358024,GGA+U,C2,ABC5D2_mC36_5_c_ab_5c_2c:Ga-Mn-O-Sr,18.0,"Invalid WP multiplicities - ABC5D2_mC36_5_c_ab_5c_4c:Ga-Mn-O-Sr, expected Sr4MnGaO5 to be Sr2MnGaO5" +mp-1218775,Sr2MnGaO5,-7.1337281592,-2.6556679617,0.0216428258,0.0147929417,GGA+U,C2/m,ABC5D2_mC36_12_i_e_ghij_j:Ga-Mn-O-Sr,36.0,ABC5D2_mC36_12_i_e_ghij_j:Ga-Mn-O-Sr +mp-21302,Sr2MnGaO5,-7.155370985,-2.6773107875,0.0,-0.0068498841,GGA+U,Ima2,ABC5D2_oI36_46_b_a_b2c_c:Ga-Mn-O-Sr,36.0,ABC5D2_oI36_46_b_a_b2c_c:Ga-Mn-O-Sr +mp-1282857,Sr2MnGaO5,-7.1355481617,-2.6574879642,0.0198228233,0.0129729392,GGA+U,Fmmm,ABC5D2_oF72_69_h_c_fgim_n:Ga-Mn-O-Sr,18.0,ABC5D2_oF72_69_h_c_fgim_n:Ga-Mn-O-Sr +mp-1047085,Sr2Mn2GaO7,-7.2361579442,-2.2896634032,0.2197161069,0.2197161069,GGA+U,Ima2,AB2C7D2_oI48_46_b_c_b3c_c:Ga-Mn-O-Sr,24.0,"Invalid WP multiplicities - AB2C7D2_oI48_46_b_c_2b7c_c:Ga-Mn-O-Sr, expected Sr2Mn2GaO16 to be Sr2Mn2GaO7" +mp-1304327,Li2Mn3GaO8,-7.3952109771,-2.1162468827,0.001265115,0.001265115,GGA+U,C2/m,AB2C3D8_mC28_12_a_i_ce_2ij:Ga-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_mC28_12_c_i_be_4ij:Ga-Li-Mn-O, expected Li2Mn3GaO12 to be Li2Mn3GaO8" +mp-1307659,Li2Mn3GaO8,-7.395614486799999,-2.1166503924,0.0008616054,0.0008616054,GGA+U,P2/c,AB2C3D8_mP28_13_e_g_acf_4g:Ga-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mP28_13_e_g_2a2c2f_9g:Ga-Li-Mn-O, expected Li2Mn6GaO18 to be Li2Mn3GaO8" +mp-1309214,Li2Mn3GaO8,-7.3914852279,-2.1125211334,0.0049908643,0.0049908643,GGA+U,C2/c,AB2C3D8_mC56_15_e_f_abc_4f:Ga-Li-Mn-O,28.0,"Invalid WP multiplicities - AB2C3D8_mC56_15_e_f_2a2c2d_9f:Ga-Li-Mn-O, expected Li2Mn6GaO18 to be Li2Mn3GaO8" +mp-753967,Li2Mn3GaO8,-7.3758668043,-2.0969027099,0.0206092879,0.0206092879,GGA+U,R-3m,AB2C3D8_hR42_166_a_c_d_ch:Ga-Li-Mn-O,14.0,"Invalid WP multiplicities - AB2C3D8_hR42_166_a_c_d_2ch:Ga-Li-Mn-O, expected Li2Mn3GaO10 to be Li2Mn3GaO8" +mp-1235278,Sr4LiMn2Ga2O11,-6.8610744775,-2.4880397209,0.140891713,0.140891713,GGA+U,P1,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr,20.0,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr +mp-1236134,Sr4LiMn2Ga2O11,-6.8599299225,-2.4868951659,0.142036268,0.142036268,GGA+U,P1,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr,20.0,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr +mp-1236640,Sr4LiMn2Ga2O11,-6.845942555,-2.4729077984,0.1560236355,0.1560236355,GGA+U,P1,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr,20.0,A2BC2D11E4_aP20_1_2a_a_2a_11a_4a:Ga-Li-Mn-O-Sr +mp-1235246,Sr4LiMn2Ga2O11,-6.8253582545,-2.4523234979,0.176607936,0.176607936,GGA+U,C2/m,A2BC2D11E4_mC40_12_g_c_f_behij_2i:Ga-Li-Mn-O-Sr,20.0,"Invalid WP multiplicities - A2BC2D11E4_mC40_12_g_c_e_bfhij_4i:Ga-Li-Mn-O-Sr, expected Sr8LiMn2Ga2O11 to be Sr4LiMn2Ga2O11" +mp-1236087,Sr4LiMn2Ga2O11,-6.8321657345,-2.4591309779,0.169800456,0.169800456,GGA+U,Fmm2,A2BC2D11E4_oF80_42_c_a_c_3a2b2c_2d:Ga-Li-Mn-O-Sr,20.0,A2BC2D11E4_oF80_42_c_a_c_3a2b2c_2d:Ga-Li-Mn-O-Sr +mp-1236178,Sr4LiMn2Ga2O11,-6.830264198,-2.4572294414,0.1717019925,0.1717019925,GGA+U,Fmm2,A2BC2D11E4_oF80_42_c_a_b_abcde_2d:Ga-Li-Mn-O-Sr,20.0,"Invalid WP multiplicities - A2BC2D11E4_oF80_42_c_a_b_abcde_3d:Ga-Li-Mn-O-Sr, expected Sr6LiMn2Ga2O11 to be Sr4LiMn2Ga2O11" +mp-1218651,Sr4Mn2Ga2O11,-7.0410050868,-2.5382802307,0.0959024119,0.0959024119,GGA+U,Fmmm,A2B2C11D4_oF76_69_g_d_aefin_m:Ga-Mn-O-Sr,19.0,A2B2C11D4_oF76_69_g_d_aefin_m:Ga-Mn-O-Sr +mp-1235032,Sr4LiMn2(GaO5)2,-6.8671641,-2.5243216568,0.1011761875,0.1011761875,GGA+U,P1,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr,19.0,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr +mp-1235111,Sr4LiMn2(GaO5)2,-6.8939283916,-2.5510859483,0.0744118959,0.0744118959,GGA+U,P1,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr,19.0,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr +mp-1236344,Sr4LiMn2(GaO5)2,-6.9054381095,-2.5625956662,0.062902178,0.062902178,GGA+U,P1,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr,19.0,A2BC2D10E4_aP19_1_2a_a_2a_10a_4a:Ga-Li-Mn-O-Sr +mp-1235398,Sr4LiMn2(GaO5)2,-6.8726418079,-2.5297993647,0.0956984796,0.0956984796,GGA+U,P-1,A2BC2D10E4_aP19_2_i_a_cd_5i_2i:Ga-Li-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_aP19_2_i_a_cd_6i_2i:Ga-Li-Mn-O-Sr, expected Sr4LiMn2(GaO6)2 to be Sr4LiMn2(GaO5)2" +mp-1235882,Sr4LiMn2(GaO5)2,-6.8963382105,-2.5534957673000003,0.072002077,0.072002077,GGA+U,C2/m,A2BC2D10E4_mC38_12_i_a_f_ghij_j:Ga-Li-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_mC38_12_i_a_e_g2hij_j:Ga-Li-Mn-O-Sr, expected Sr4LiMn2(GaO6)2 to be Sr4LiMn2(GaO5)2" +mp-1236297,Sr4LiMn2(GaO5)2,-6.8984165132,-2.5555740699,0.0699237743,0.0699237743,GGA+U,Fmm2,A2BC2D10E4_oF76_42_c_a_c_2ab2cd_2d:Ga-Li-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_oF76_42_c_a_c_2ab4cd_4d:Ga-Li-Mn-O-Sr, expected Sr8LiMn2(GaO7)2 to be Sr4LiMn2(GaO5)2" +mp-1233002,Sr4LiMn2(GaO5)2,-6.9579562853,-2.615113842,0.0103840022,0.0103840022,GGA+U,Fmmm,A2BC2D10E4_oF76_69_h_a_c_fgim_n:Ga-Li-Mn-O-Sr,19.0,"Invalid WP multiplicities - A2BC2D10E4_oF76_69_h_a_c_fg2im_n:Ga-Li-Mn-O-Sr, expected Sr4LiMn2(GaO6)2 to be Sr4LiMn2(GaO5)2" +mp-1217137,Ti2CrTe4,-6.1910338457,-0.7599974062,0.0784102814,0.0784102814,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Cr-Te-Ti,7.0,AB4C2_mC14_8_a_4a_2a:Cr-Te-Ti +mp-1025345,Ti2CrTe4,-6.2201510043,-0.7891145648,0.0492931229,0.0492931229,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Cr-Te-Ti,7.0,AB4C2_mC14_12_a_2i_i:Cr-Te-Ti +mp-761028,Li4Ti3Cr3(TeO8)2,-7.7183684807,-2.5142634417,0.0714727568,0.0714727568,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Te-Ti,56.0,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Te-Ti +mp-1101118,Ti(CrTe2)2,-6.2625712457,-0.5804554557,0.0604156407,0.0604156407,GGA,Cm,A2B4C_mC14_8_2a_4a_a:Cr-Te-Ti,7.0,A2B4C_mC14_8_2a_4a_a:Cr-Te-Ti +mp-1025207,Ti(CrTe2)2,-6.2870613157,-0.6049455257,0.0359255707,0.0359255707,GGA,C2/m,A2B4C_mC14_12_i_2i_a:Cr-Te-Ti,7.0,A2B4C_mC14_12_i_2i_a:Cr-Te-Ti +mp-1217179,Ti4CrTe8,-5.9872810623,-0.8810147021,0.0218858846,0.0218858846,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Cr-Te-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_4ij_hi:Cr-Te-Ti, expected Ti4CrTe12 to be Ti4CrTe8" +mp-1101098,Ti4CrTe8,-5.9882925173,-0.8820261571,0.0208744296,0.0208744296,GGA,C2/c,AB8C4_mC52_15_e_4f_2f:Cr-Te-Ti,26.0,"Invalid WP multiplicities - AB8C4_mC52_15_e_13f_4f:Cr-Te-Ti, expected Ti8CrTe26 to be Ti4CrTe8" +mp-1216975,TiCr3Te4,-6.5561786738,-0.3776964237,0.1830657856,0.1830657856,GGA,C2/m,A3B4C_mC16_12_ai_2i_d:Cr-Te-Ti,8.0,"Invalid WP multiplicities - A3B4C_mC16_12_ai_3i_c:Cr-Te-Ti, expected Ti(CrTe2)3 to be TiCr3Te4" +mp-1228451,Ba4PrLu(Cu3O7)2,-6.4279049004,-2.1653418999,0.0433511599,0.0433511599,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Lu-O-Pr,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Lu-O-Pr, expected Ba8PrLu(Cu5O13)2 to be Ba4PrLu(Cu3O7)2" +mp-915377,Ba4Pr(RuO4)3,-7.4501329702,-2.4681190867,0.0004167449,0.0004167449,GGA,C2/m,A4B12CD3_mC40_12_2i_2i2j_a_di:Ba-O-Pr-Ru,60.0,"Invalid WP multiplicities - A4B12CD3_mC40_12_8i_12i17j_a_3d4i:Ba-O-Pr-Ru, expected Ba16PrRu11O92 to be Ba4Pr(RuO4)3" +mp-642358,Ba4Pr(RuO4)3,-7.4483638938,-2.4663500103,0.0021858212,0.0021858212,GGA,C2/m,A4B12CD3_mC40_12_2i_2i2j_a_di:Ba-O-Pr-Ru,60.0,"Invalid WP multiplicities - A4B12CD3_mC40_12_8i_12i17j_a_3d4i:Ba-O-Pr-Ru, expected Ba16PrRu11O92 to be Ba4Pr(RuO4)3" +mp-1197236,Pr23Mg4Ru7,-5.5053873426,-0.173541156,0.00118545,0.00118545,GGA,P6_3mc,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Ru,68.0,A4B23C7_hP68_186_ac_ab7c_b2c:Mg-Pr-Ru +mp-16821,Ba3PrRu2O9,-7.4688425837,-2.5617203133,0.0,-0.0017706459,GGA,P6_3/mmc,A3B9CD2_hP30_194_bf_hk_a_f:Ba-O-Pr-Ru,30.0,"Invalid WP multiplicities - A3B9CD2_hP30_194_2b2f_hk_a_f:Ba-O-Pr-Ru, expected Ba6PrRu2O9 to be Ba3PrRu2O9" +mp-6183,Ba2PrRuO6,-7.500949873,-2.7436108288,0.0,-0.0372127764,GGA,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pr-Ru,10.0,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Pr-Ru +mp-984806,Ba2PrRuO6,-7.4963660875,-2.7390270433,0.0045837855,-0.0326289909,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ba-O-Pr-Ru,20.0,A2B6CD_mP20_14_e_3e_a_d:Ba-O-Pr-Ru +mp-12912,Ba2PrRuO6,-7.496035175,-2.7386961308,0.004914698,-0.0322980784,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ru,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-Ru +mp-605873,Pr4MgRu,-5.1665327592,-0.1668151575,0.0,-0.0102041665,GGA,F-43m,AB4C_cF96_216_e_efg_e:Mg-Pr-Ru,24.0,"Invalid WP multiplicities - AB4C_cF96_216_e_3e3f4g_e:Mg-Pr-Ru, expected Pr27(MgRu)2 to be Pr4MgRu" +mp-1233334,Ba6Pr2Mg(Ru2O9)2,-7.2980098987,-2.497559958,0.0990210929,0.0990210929,GGA,C2/m,A6BC18D2E4_mC62_12_3i_b_3i3j_ac_2i:Ba-Mg-O-Pr-Ru,31.0,"Invalid WP multiplicities - A6BC18D2E4_mC62_12_5i_b_6i10j_ac_4i:Ba-Mg-O-Pr-Ru, expected Ba10Pr2Mg(Ru2O13)4 to be Ba6Pr2Mg(Ru2O9)2" +mp-1234679,Ba6Pr2Mg(Ru2O9)2,-7.2964437994,-2.4959938586,0.1005871922,0.1005871922,GGA,P-6m2,A6BC18D2E4_hP31_187_abhi_c_jk2n_g_hi:Ba-Mg-O-Pr-Ru,31.0,"Invalid WP multiplicities - A6BC18D2E4_hP31_187_abh2i_c_2j2k5n_g_h2i:Ba-Mg-O-Pr-Ru, expected Ba8Pr2Mg(RuO7)6 to be Ba6Pr2Mg(Ru2O9)2" +mp-2217327,Ba2PrMgRuO6,-6.8755981182,-2.405264437,0.3984648503,0.3984648503,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Pr-Ru,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Pr-Ru, expected Ba2PrMgRuO12 to be Ba2PrMgRuO6" +mp-2218013,Ba2PrMgRuO6,-6.8534607955,-2.3831271143,0.4206021731,0.4206021731,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Pr-Ru,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_4b_a_a:Ba-Mg-O-Pr-Ru, expected Ba2PrMgRuO12 to be Ba2PrMgRuO6" +mp-2217289,Ba2PrMgRuO6,-6.9374071364,-2.4670734552,0.3366558322,0.3366558322,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Pr-Ru,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Pr-Ru, expected Ba2PrMgRuO15 to be Ba2PrMgRuO6" +mp-1523104,SrCaSmBiO6,-7.0057034425,-2.8122733559,0.0,-0.009679145,GGA,P-1,ABC6DE_aP20_2_ah_i_6i_be_i:Bi-Ca-O-Sm-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_ah_i_12i_be_i:Bi-Ca-O-Sm-Sr, expected SrCaSmBiO12 to be SrCaSmBiO6" +mp-1523189,SrCaSmBiO6,-6.970244551,-2.7768144644,0.0354588915,0.0257797465,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_f_cd:Bi-Ca-O-Sm-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_ab_6m_f_2c2d:Bi-Ca-O-Sm-Sr, expected Sr2CaSmBiO12 to be SrCaSmBiO6" +mp-1523151,SrCaSmBiO6,-6.922256261,-2.7288261744,0.0834471815,0.0737680365,GGA,P42_12,ABC6DE_tP20_90_c_a_2cg_c_b:Bi-Ca-O-Sm-Sr,20.0,ABC6DE_tP20_90_c_a_2cg_c_b:Bi-Ca-O-Sm-Sr +mp-1523159,SrCaSmBiO6,-6.810149713,-2.6167196264,0.1955537295,0.1858745845,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-Ca-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-Ca-O-Sm-Sr +mp-1517726,SrPrDyCoO6,-7.548928679,-2.7623650679,0.1772772849,0.1772772849,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Co-Dy-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Co-Dy-O-Pr-Sr +mp-1190137,Tb5CuBi3,-4.975274655,-0.6649963706,0.0112623107,0.0112623107,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Bi-Cu-Tb,18.0,A3BC5_hP18_193_g_b_dg:Bi-Cu-Tb +mp-1208746,Sr2TbCu2(BiO4)2,-6.39685464,-2.1657710202,0.1094565213,0.1094565213,GGA,I4/mmm,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Tb,15.0,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Tb +mp-691043,Ba10Pr5Nb(Sn2O15)2,-7.2692394504,-2.916548811,0.0461598721,0.0461598721,GGA,P-1,A10BC30D5E4_aP50_2_5i_a_15i_d2i_2i:Ba-Nb-O-Pr-Sn,50.0,"Invalid WP multiplicities - A10BC30D5E4_aP50_2_9i_a_28i_d3i_2i:Ba-Nb-O-Pr-Sn, expected Ba18Pr7Nb(SnO14)4 to be Ba10Pr5Nb(Sn2O15)2" +mp-1228934,Ba10Pr5Nb4SnO30,-7.9625173566,-3.244322726,0.0139122342,0.0139122342,GGA,P-1,A10B4C30D5E_aP50_2_5i_2i_15i_a2i_d:Ba-Nb-O-Pr-Sn,50.0,"Invalid WP multiplicities - A10B4C30D5E_aP50_2_9i_3i_30i_a2i_d:Ba-Nb-O-Pr-Sn, expected Ba18Pr5Nb6SnO60 to be Ba10Pr5Nb4SnO30" +mp-1229129,Ba10Pr5Nb2(SnO10)3,-7.5020961848,-3.0275708817,0.033753986,0.033753986,GGA,P-1,A10B2C30D5E3_aP50_2_5i_i_15i_a2i_di:Ba-Nb-O-Pr-Sn,50.0,"Invalid WP multiplicities - A10B2C30D5E3_aP50_2_10i_i_30i_a4i_di:Ba-Nb-O-Pr-Sn, expected Ba20Pr9Nb2(SnO20)3 to be Ba10Pr5Nb2(SnO10)3" +mp-2217568,Ba2DyMgNbO6,-7.3345679327,-2.8048902893000003,0.4147997627,0.4147997627,GGA,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-Dy-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_e2l:Ba-Dy-Mg-Nb-O, expected Ba2DyMgNbO10 to be Ba2DyMgNbO6" +mp-2217995,Ba2DyMgNbO6,-7.3808557264,-2.851178083,0.3685119691,0.3685119691,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Dy-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_5b:Ba-Dy-Mg-Nb-O, expected Ba2DyMgNbO15 to be Ba2DyMgNbO6" +mp-2241222,Ba2DyMgNbO6,-7.3150073173,-2.7853296739,0.4343603782,0.4343603782,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-Dy-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_4b:Ba-Dy-Mg-Nb-O, expected Ba2DyMgNbO12 to be Ba2DyMgNbO6" +mp-2215939,Dy2MgNb2O8,-8.6576882992,-3.2276903377,0.1941673932,0.1941673932,GGA,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Dy-Mg-Nb-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Dy-Mg-Nb-O +mp-2215885,Dy2MgNb2O8,-8.5696301346,-3.1396321731,0.2822255578,0.2822255578,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Dy-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_6c:Dy-Mg-Nb-O, expected Dy2MgNb2O12 to be Dy2MgNb2O8" +mp-2220539,Dy2MgNb2O8,-8.5729878954,-3.1429899338,0.278867797,0.278867797,GGA,C2,A2BC2D8_mC26_5_ab_a_ab_4c:Dy-Mg-Nb-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_5_ab_a_ab_6c:Dy-Mg-Nb-O, expected Dy2MgNb2O12 to be Dy2MgNb2O8" +mp-2226786,Dy2MgNb2O8,-8.6755377038,-3.2455397423,0.1763179886,0.1763179886,GGA,Cm,A2BC2D8_mC26_8_2a_a_2a_8a:Dy-Mg-Nb-O,13.0,A2BC2D8_mC26_8_2a_a_2a_8a:Dy-Mg-Nb-O +mp-581171,Co5Te4(BrO6)2,-6.1841846424,-1.3763092622,0.0085326782,0.0085326782,GGA+U,C2/c,A2B5C12D4_mC92_15_f_e2f_6f_2f:Br-Co-O-Te,46.0,"Invalid WP multiplicities - A2B5C12D4_mC92_15_f_2e6f_20f_5f:Br-Co-O-Te, expected Co7Te5BrO20 to be Co5Te4(BrO6)2" +mp-561705,ZnCoTeBr2O3,-4.9915561523,-1.3093698908,0.0952668152,0.0952668152,GGA+U,Pccn,A2BC3DE_oP64_56_2e_e_3e_e_e:Br-Co-O-Te-Zn,64.0,"Invalid WP multiplicities - A2BC3DE_oP64_56_10e_e_17e_e_e:Br-Co-O-Te-Zn, expected ZnCoTeBr10O17 to be ZnCoTeBr2O3" +mp-1046528,Zn4Co5(TeO6)3,-6.1891795442,-1.5541502809,0.0,-0.006242582,GGA+U,C2/c,A5B18C3D4_mC120_15_e2f_9f_af_2f:Co-O-Te-Zn,60.0,"Invalid WP multiplicities - A5B18C3D4_mC120_15_e4f_35f_c2f_6f:Co-O-Te-Zn, expected Zn12Co9(TeO14)5 to be Zn4Co5(TeO6)3" +mp-558350,Zn2TeBr2O3,-4.4820450358,-1.5309305474,0.0,-0.0132310654,GGA,Pccn,A2B3CD2_oP64_56_2e_3e_e_2e:Br-O-Te-Zn,64.0,"Invalid WP multiplicities - A2B3CD2_oP64_56_12e_16e_e_9e:Br-O-Te-Zn, expected Zn9Te(Br3O4)4 to be Zn2TeBr2O3" +mp-1215732,ZnCoTe3O8,-5.959574656,-1.5463832117,0.0,-0.0018417535,GGA+U,C2,AB8C3D_mC52_5_c_8c_ab2c_c:Co-O-Te-Zn,52.0,AB8C3D_mC52_5_c_8c_ab2c_c:Co-O-Te-Zn +mp-687088,Co2TeBr2O3,-5.5849290830000005,-1.1716710483,0.0666540661,0.0666540661,GGA+U,Pccn,A2B2C3D_oP64_56_2e_2e_3e_e:Br-Co-O-Te,64.0,"Invalid WP multiplicities - A2B2C3D_oP64_56_7e_10e_19e_e:Br-Co-O-Te, expected Co10TeBr7O19 to be Co2TeBr2O3" +mp-639164,Co7Te4(BrO2)6,-5.8080600959,-1.2904779354,0.0,-0.0335876854,GGA+U,C2/c,A6B7C12D4_mC116_15_3f_a3f_6f_2f:Br-Co-O-Te,58.0,"Invalid WP multiplicities - A6B7C12D4_mC116_15_9f_2a10f_18f_5f:Br-Co-O-Te, expected Co11Te5(BrO2)9 to be Co7Te4(BrO2)6" +mp-1021417,BaMg6Sn,-1.9305552675,0.0107231194,0.204409486,0.204409486,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ba-Mg-Sn, expected BaMg12Sn to be BaMg6Sn" +mp-1099297,BaMg6Sn,-1.9340860812,0.0071923056,0.2008786722,0.2008786722,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Sn,8.0,AB6C_oC16_38_a_2bde_a:Ba-Mg-Sn +mp-1048083,BaTl(SnO3)2,-5.855785978,-1.6576965716,0.4740325714,0.4740325714,GGA,I4/mmm,AB6C2D_tI40_139_e_2e2g_2e_e:Ba-O-Sn-Tl,20.0,"Invalid WP multiplicities - AB6C2D_tI40_139_e_4e6g_3e_e:Ba-O-Sn-Tl, expected BaTlSn3O16 to be BaTl(SnO3)2" +mp-1046957,BaMg(SnO2)4,-6.2961318843,-2.0724853057,0.2125357359,0.2125357359,GGA,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Sn,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-Sn +mp-1095706,BaMg30SnO32,-6.1934041153,-2.8772949426,0.1349444166,0.1349444166,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Sn, expected BaMg110SnO72 to be BaMg30SnO32" +mp-1036683,BaMg30SnO32,-6.1773617687,-2.861252596,0.1509867632,0.1509867632,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Sn, expected BaMg90SnO80 to be BaMg30SnO32" +mp-1034339,BaMg14SnO16,-6.0160737878,-2.657339823,0.313098596,0.313098596,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Sn, expected BaMg18SnO20 to be BaMg14SnO16" +mp-1034311,BaMg14SnO16,-6.0463902575,-2.6876562927,0.2827821263,0.2827821263,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Sn, expected BaMg30SnO32 to be BaMg14SnO16" +mp-1031535,BaMg6SnO8,-5.8743531231,-2.4303695741,0.4564669645,0.4564669645,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Sn, expected BaMg6SnO12 to be BaMg6SnO8" +mp-1031539,BaMg6SnO8,-5.7614488131,-2.3174652641,0.5693712745,0.5693712745,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Sn, expected BaMg6SnO12 to be BaMg6SnO8" +mp-1046198,Ba2Mg2Tl2Sn3O10,-5.8940767842,-2.0383189447,0.3084583607,0.3084583607,GGA,P1,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Mg-O-Sn-Tl,19.0,A2B2C10D3E2_aP19_1_2a_2a_10a_3a_2a:Ba-Mg-O-Sn-Tl +mp-29622,Ba(MgSn)2,-3.1117291365,-0.4839933865,0.0,-0.0906005875,GGA,P4/nmm,AB2C2_tP20_129_2c_acf_b3c:Ba-Mg-Sn,20.0,AB2C2_tP20_129_2c_acf_b3c:Ba-Mg-Sn +mp-1046053,Ba2TlSn2O7,-6.0169313725,-1.9463848962,0.378401051,0.378401051,GGA,P4/mmm,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Sn-Tl,12.0,A2B7C2D_tP12_123_h_cgi_g_a:Ba-O-Sn-Tl +mp-1215127,Ba4Mg5Sn7,-2.3863140937,0.3477048434,0.8699407261000001,0.8699407261000001,GGA,P4/mmm,A4B5C7_tP16_123_2g_a2g_b3g:Ba-Mg-Sn,16.0,A4B5C7_tP16_123_2g_a2g_b3g:Ba-Mg-Sn +mp-1018654,BaMgSn,-2.5590491267,-0.0494401783,0.427000354,0.427000354,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ba-Mg-Sn,6.0,ABC_tP6_129_a_c_c:Ba-Mg-Sn +mp-1046323,Ba2Tl2Sn3O10,-6.0335296365,-1.9124214688,0.2234368993,0.2234368993,GGA,P1,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Sn-Tl,17.0,A2B10C3D2_aP17_1_2a_10a_3a_2a:Ba-O-Sn-Tl +mp-1026408,BaMg14Sn,-1.7582151525,0.0125640659,0.1214241828,0.1214241828,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Sn, expected BaMg18Sn to be BaMg14Sn" +mp-1026412,BaMg14Sn,-1.7224563212,0.0483228972,0.157183014,0.157183014,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Sn, expected BaMg26Sn to be BaMg14Sn" +mp-1368253,Ba2Mg3Tl2(SnO3)4,-5.7183451483,-1.8591004405,0.4868789725,0.4868789725,GGA,I4/mmm,A2B3C12D4E2_tI46_139_e_ae_2e2g_2e_e:Ba-Mg-O-Sn-Tl,23.0,"Invalid WP multiplicities - A2B3C12D4E2_tI46_139_e_ae_4e6g_3e_e:Ba-Mg-O-Sn-Tl, expected Ba2Mg3Tl2(Sn3O16)2 to be Ba2Mg3Tl2(SnO3)4" +mp-1211392,LaMn4(CuO4)3,-7.514835196,-1.8527375551,0.0593855018,0.0593855018,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-La-Mn-O,40.0,A3BC4D12_cI40_204_b_a_c_g:Cu-La-Mn-O +mp-1076513,La7SmMn7CuO20,-8.6201671035,-2.8857858865,0.1499723183,0.1499723183,GGA+U,P1,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Cu-La-Mn-O-Sm,144.0,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Cu-La-Mn-O-Sm +mp-1099832,La7SmMn7CuO24,-8.5042031527,-2.8485911864,0.2762568146,0.2762568146,GGA+U,R3m,AB7C7D24E_hR120_160_a_a2b_a2b_4b2c_a:Cu-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - AB7C7D24E_hR120_160_a_a4b_a4b_12b10c_a:Cu-La-Mn-O-Sm, expected La13SmMn13CuO96 to be La7SmMn7CuO24" +mp-569538,LaNiSb3,-5.3850688345,-0.7644393335,0.0,-0.0153026835,GGA,Pbcm,ABC3_oP40_57_cd_e_2c2de:La-Ni-Sb,40.0,"Invalid WP multiplicities - ABC3_oP40_57_c2d_e_8c7d4e:La-Ni-Sb, expected La3Ni2Sb23 to be LaNiSb3" +mp-1079572,LaNiSb2,-5.6124902975,-0.8689537312000001,0.0,-0.0039946725,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:La-Ni-Sb,8.0,ABC2_tP8_129_c_a_bc:La-Ni-Sb +mp-9235,LaNiSb,-5.8946457933000005,-0.9462641183,0.0,-0.0374501633,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:La-Ni-Sb,6.0,ABC_hP6_194_a_c_d:La-Ni-Sb +mp-961707,LaNiSb,-5.2797421533,-0.3313604783,0.61490364,0.5774534767,GGA,F-43m,ABC_cF12_216_a_b_c:La-Ni-Sb,3.0,ABC_cF12_216_a_b_c:La-Ni-Sb +mp-1274489,Sr2NbCoO6,-7.8040463245,-2.7771721236,0.0117516285,0.0117516285,GGA+U,P1,ABC6D2_aP40_1_4a_4a_24a_8a:Co-Nb-O-Sr,40.0,ABC6D2_aP40_1_4a_4a_24a_8a:Co-Nb-O-Sr +mp-1276228,Sr2NbCoO6,-7.8059770693,-2.7791028683,0.0098208838,0.0098208838,GGA+U,C2,ABC6D2_mC80_5_2c_abc_12c_4c:Co-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_mC80_5_2c_ab2c_24c_8c:Co-Nb-O-Sr, expected Sr8Nb3(CoO12)2 to be Sr2NbCoO6" +mp-1278779,Sr2NbCoO6,-7.8058582337,-2.7789840328,0.0099397193,0.0099397193,GGA+U,Pmn2_1,ABC6D2_oP40_31_2a_2a_8a2b_2b:Co-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABC6D2_oP40_31_2a_2a_16a4b_4b:Co-Nb-O-Sr, expected Sr4NbCoO12 to be Sr2NbCoO6" +mp-1218740,Sr2NbCoO6,-7.808353799,-2.7814795981,0.007444154,0.007444154,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Co-Nb-O-Sr,20.0,ABC6D2_tI20_139_a_b_eh_d:Co-Nb-O-Sr +mp-640747,Sr3Nb2CoO9,-7.7113432442,-2.5847028017,0.4420190487,0.4420190487,GGA+U,P2_1/c,AB2C9D3_mP60_14_ad_2e_9e_3e:Co-Nb-O-Sr,60.0,"Invalid WP multiplicities - AB2C9D3_mP60_14_ad_4e_35e_10e:Co-Nb-O-Sr, expected Sr10Nb4CoO35 to be Sr3Nb2CoO9" +mp-1179777,Sr3Nb2CoO9,-7.8958005117,-2.7691600693,0.2575617812,0.2575617812,GGA+U,P2_1/c,AB2C9D3_mP60_14_ad_2e_9e_3e:Co-Nb-O-Sr,60.0,"Invalid WP multiplicities - AB2C9D3_mP60_14_ad_4e_35e_10e:Co-Nb-O-Sr, expected Sr10Nb4CoO35 to be Sr3Nb2CoO9" +mp-1290739,Sr3NbCoO7,-7.571871794,-2.8297947795,0.0286333648,0.0286333648,GGA+U,P1,ABC7D3_aP48_1_4a_4a_28a_12a:Co-Nb-O-Sr,48.0,ABC7D3_aP48_1_4a_4a_28a_12a:Co-Nb-O-Sr +mp-1287593,Sr3NbCoO7,-7.5636638488,-2.8215868343,0.03684131,0.03684131,GGA+U,P1,ABC7D3_aP24_1_2a_2a_14a_6a:Co-Nb-O-Sr,24.0,ABC7D3_aP24_1_2a_2a_14a_6a:Co-Nb-O-Sr +mp-1305942,Sr3NbCoO7,-7.5485193558,-2.8064423414,0.0519858029,0.0519858029,GGA+U,Pm,ABC7D3_mP48_6_2a2b_2a2b_14a14b_6a6b:Co-Nb-O-Sr,48.0,ABC7D3_mP48_6_2a2b_2a2b_14a14b_6a6b:Co-Nb-O-Sr +mp-1303642,Sr3NbCoO7,-7.553286635,-2.8112096205,0.0472185237,0.0472185237,GGA+U,Cm,ABC7D3_mC24_8_a_a_7a_3a:Co-Nb-O-Sr,12.0,ABC7D3_mC24_8_a_a_7a_3a:Co-Nb-O-Sr +mp-1289332,Sr3NbCoO7,-7.5532786442,-2.8112016297,0.0472265146,0.0472265146,GGA+U,Pmn2_1,ABC7D3_oP24_31_a_a_7a_3a:Co-Nb-O-Sr,24.0,ABC7D3_mP24_6_ab_ab_7a7b_3a3b:Co-Nb-O-Sr +mp-1284602,Sr3NbCoO7,-7.5783177529,-2.8362407384,0.0221874058,0.0221874058,GGA+U,Aea2,ABC7D3_oC48_41_a_a_3a2b_3a:Co-Nb-O-Sr,24.0,ABC7D3_oC48_41_a_a_3a2b_3a:Co-Nb-O-Sr +mp-1218496,Sr3NbCoO7,-7.5488323383,-2.8067553239,0.0516728204,0.0516728204,GGA+U,I4mm,ABC7D3_tI24_107_a_a_3a2b_3a:Co-Nb-O-Sr,12.0,ABC7D3_tI24_107_a_a_3a2b_3a:Co-Nb-O-Sr +mp-1284693,Sr3NbCoO7,-7.5784029162,-2.8363259018,0.0221022425,0.0221022425,GGA+U,I4_1cd,ABC7D3_tI96_110_a_a_3a2b_3a:Co-Nb-O-Sr,48.0,ABC7D3_tI96_110_a_a_3a2b_3a:Co-Nb-O-Sr +mp-1218456,Sr4NbCoO8,-7.4262413043,-2.8875908515,0.0049919168,0.0049919168,GGA+U,Cmmm,ABC8D4_oC28_65_a_c_ghn_gh:Co-Nb-O-Sr,14.0,"Invalid WP multiplicities - ABC8D4_oC28_65_a_c_2ghn_2gh:Co-Nb-O-Sr, expected Sr6NbCoO10 to be Sr4NbCoO8" +mp-757273,Li2Si6Ni3O16,-7.572669065899999,-2.6520326462,0.0837306232,0.0837306232,GGA+U,P-1,A2B3C16D6_aP54_2_2i_3i_16i_6i:Li-Ni-O-Si,54.0,"Invalid WP multiplicities - A2B3C16D6_aP54_2_3i_5i_31i_11i:Li-Ni-O-Si, expected Li3Si11Ni5O31 to be Li2Si6Ni3O16" +mp-756771,Li2Si5Ni5O16,-7.3349990811,-2.3709941288,0.0954801283,0.0954801283,GGA+U,P1,A2B5C16D5_aP28_1_2a_5a_16a_5a:Li-Ni-O-Si,28.0,A2B5C16D5_aP28_1_2a_5a_16a_5a:Li-Ni-O-Si +mp-1667314,Li2Si2NiO6,-7.1460899923,-2.588930834,0.1044610875,0.1044610875,GGA+U,P1,A2BC6D2_aP44_1_8a_4a_24a_8a:Li-Ni-O-Si,44.0,A2BC6D2_mC44_15_f_e_ae2f_f:Li-Ni-O-Si +mp-753874,Li2Si2NiO6,-7.1589779523,-2.601818794,0.0915731275,0.0915731275,GGA+U,P2_1,A2BC6D2_mP22_4_2a_a_6a_2a:Li-Ni-O-Si,22.0,"Invalid WP multiplicities - A2BC6D2_mP22_4_3a_a_11a_3a:Li-Ni-O-Si, expected Li3Si3NiO11 to be Li2Si2NiO6" +mp-1569720,Li2Si2NiO6,-7.1995036855,-2.6423445272,0.0510473943,0.0510473943,GGA+U,C2,A2BC6D2_mC44_5_2c_ab_6c_2c:Li-Ni-O-Si,22.0,A2BC6D2_oF88_43_b_a_3b_b:Li-Ni-O-Si +mp-1645783,Li2Si2NiO6,-7.2147348034,-2.6575756452,0.0358162764,0.0358162764,GGA+U,Pc,A2BC6D2_mP44_7_4a_2a_12a_4a:Li-Ni-O-Si,44.0,"Invalid WP multiplicities - A2BC6D2_mP44_7_7a_2a_21a_7a:Li-Ni-O-Si, expected Li7Si7Ni2O21 to be Li2Si2NiO6" +mp-1986763,Li2Si2NiO6,-7.1771649777,-2.6200058195,0.073386102,0.073386102,GGA+U,Cc,A2BC6D2_mC44_9_2a_a_6a_2a:Li-Ni-O-Si,44.0,A2BC6D2_mC44_15_f_e_ae2f_f:Li-Ni-O-Si +mp-756249,Li2Si2NiO6,-7.1774247082,-2.6202655499,0.0731263716,0.0731263716,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_ae2f_f:Li-Ni-O-Si,44.0,A2BC6D2_mC44_15_f_e_ce2f_f:Li-Ni-O-Si +mp-766931,Li2Si2NiO6,-7.1474431053,-2.590283947,0.1031079745,0.1031079745,GGA+U,Pmn2_1,A2BC6D2_oP66_31_2a2b_3a_4a7b_2a2b:Li-Ni-O-Si,66.0,"Invalid WP multiplicities - A2BC6D2_oP66_31_4a6b_6a_8a26b_4a6b:Li-Ni-O-Si, expected Li8Si8(NiO10)3 to be Li2Si2NiO6" +mp-861394,Li2Si2NiO6,-7.1500115989,-2.5928524407,0.1005394808,0.1005394808,GGA+U,Fdd2,A2BC6D2_oF264_43_2a2b_ab_9b_2a2b:Li-Ni-O-Si,66.0,"Invalid WP multiplicities - A2BC6D2_oF264_43_4a6b_2a2b_33b_4a6b:Li-Ni-O-Si, expected Li8Si8(NiO11)3 to be Li2Si2NiO6" +mp-752828,Li2Si2NiO6,-7.2127075068,-2.6555483486,0.037843573,0.037843573,GGA+U,Fdd2,A2BC6D2_oF88_43_b_a_3b_b:Li-Ni-O-Si,44.0,A2BC6D2_oF88_43_b_a_3b_b:Li-Ni-O-Si +mp-767066,Li10Si2NiO10,-6.1199778193,-2.4162000576,0.0543481212,0.0543481212,GGA+U,C2/m,A10BC10D2_mC92_12_4i3j_i_g5i2j_2i:Li-Ni-O-Si,46.0,"Invalid WP multiplicities - A10BC10D2_mC92_12_7i6j_i_g9i4j_3i:Li-Ni-O-Si, expected Li19Si3NiO18 to be Li10Si2NiO10" +mp-861061,Li2Si3Ni3O10,-7.26435648,-2.4365177591,0.0318808296,0.0318808296,GGA+U,C2/c,A2B3C10D3_mC72_15_f_cf_5f_ef:Li-Ni-O-Si,36.0,"Invalid WP multiplicities - A2B3C10D3_mC72_15_f_a2f_17f_ef:Li-Ni-O-Si, expected Li2Si3Ni5O34 to be Li2Si3Ni3O10" +mp-754101,RbLi7(NiO3)2,-5.1573926337,-1.6834301483,0.0960914831,0.0960914831,GGA+U,C2/m,A7B2C6D_mC32_12_a3i_i_3i_d:Li-Ni-O-Rb,16.0,"Invalid WP multiplicities - A7B2C6D_mC32_12_a5i_i_5i_c:Li-Ni-O-Rb, expected RbLi11(NiO5)2 to be RbLi7(NiO3)2" +mp-757413,Li2Si4Ni4O13,-7.337236283,-2.4265137691,0.0411948976,0.0411948976,GGA+U,P-1,A2B4C13D4_aP46_2_2i_4i_13i_4i:Li-Ni-O-Si,46.0,"Invalid WP multiplicities - A2B4C13D4_aP46_2_3i_7i_25i_7i:Li-Ni-O-Si, expected Li3Si7Ni7O25 to be Li2Si4Ni4O13" +mp-753450,Li2Si4Ni5O14,-7.2450254692,-2.2980877408,0.0713137815,0.0713137815,GGA+U,P-1,A2B5C14D4_aP25_2_i_a2i_7i_2i:Li-Ni-O-Si,25.0,A2B5C14D4_aP25_2_i_a2i_7i_2i:Li-Ni-O-Si +mp-801707,Li2Si4Ni5O14,-5.0349804592,-0.0880427308,2.2813587915,2.2813587915,GGA+U,P-1,A2B5C14D4_aP25_2_i_a2i_7i_2i:Li-Ni-O-Si,25.0,"Invalid WP multiplicities - A2B5C14D4_aP25_2_i_a3i_13i_3i:Li-Ni-O-Si, expected Li2Si6Ni7O26 to be Li2Si4Ni5O14" +mp-1651525,Li2Si4Ni5O14,-7.2484655826,-2.3015278542,0.0678736681,0.0678736681,GGA+U,P-1,A2B5C14D4_aP50_2_2i_bc4i_14i_4i:Li-Ni-O-Si,50.0,"Invalid WP multiplicities - A2B5C14D4_aP50_2_3i_bc6i_21i_6i:Li-Ni-O-Si, expected Li3Si6(NiO3)7 to be Li2Si4Ni5O14" +mp-1176868,Li9Si2NiO10,-6.1540766245,-2.3687145494,0.092766467,0.092766467,GGA+U,P1,A9BC10D2_aP44_1_18a_2a_20a_4a:Li-Ni-O-Si,44.0,A9BC10D2_aP44_1_18a_2a_20a_4a:Li-Ni-O-Si +mp-1195212,Rb2Si5NiO12,-7.6095860171,-2.8981830416000003,0.0063626671,0.0063626671,GGA+U,Pbca,AB12C2D5_oP160_61_c_12c_2c_5c:Ni-O-Rb-Si,160.0,AB12C2D5_oP160_61_c_12c_2c_5c:Ni-O-Rb-Si +mp-772287,Li2Si12(NiO6)5,-7.7466464014,-2.7216870784,0.0883119639,0.0883119639,GGA+U,P-62c,A2B5C30D12_hP98_190_ac_fg_2h4i_2i:Li-Ni-O-Si,98.0,"Invalid WP multiplicities - A2B5C30D12_hP98_190_a2c_2f3g_12h24i_6i:Li-Ni-O-Si, expected Li3Si36Ni13O180 to be Li2Si12(NiO6)5" +mp-766586,Li2Si2Ni2O7,-7.0798031737,-2.3986050096,0.0710142102,0.0710142102,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Li-Ni-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Li-Ni-O-Si, expected LiSiNiO5 to be Li2Si2Ni2O7" +mp-753838,Li2Si2Ni2O7,-7.073462275,-2.392264111,0.0773551088,0.0773551088,GGA+U,Ama2,A2B2C7D2_oC52_40_c_ab_b3c_c:Li-Ni-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_oC52_40_c_ab_2b6c_c:Li-Ni-O-Si, expected LiSiNiO7 to be Li2Si2Ni2O7" +mp-766702,Li4Si3NiO9,-7.043593645,-2.6781830192,0.0823168357,0.0823168357,GGA+U,C2,A4BC9D3_mC68_5_2a2b2c_c_ab8c_3c:Li-Ni-O-Si,34.0,"Invalid WP multiplicities - A4BC9D3_mC68_5_2a2b4c_c_ab16c_5c:Li-Ni-O-Si, expected Li6Si5NiO17 to be Li4Si3NiO9" +mp-559477,Rb5LiSi2NiO8,-6.0293262329,-2.3225100177,0.0179930526,0.0179930526,GGA+U,C2/c,ABC8D5E2_mC68_15_e_a_4f_e2f_f:Li-Ni-O-Rb-Si,34.0,"Invalid WP multiplicities - ABC8D5E2_mC68_15_e_c_13f_2e7f_f:Li-Ni-O-Rb-Si, expected Rb16LiSi2NiO26 to be Rb5LiSi2NiO8" +mp-849759,Li2Si4(NiO4)3,-7.3268780085,-2.4592688452,0.1244176186,0.1244176186,GGA+U,Pnma,A2B3C12D4_oP84_62_2c_a2c_6d_2d:Li-Ni-O-Si,84.0,"Invalid WP multiplicities - A2B3C12D4_oP84_62_5c_2a6c_21d_5d:Li-Ni-O-Si, expected Li5Si10(Ni4O21)2 to be Li2Si4(NiO4)3" +mp-15950,Li(SiNi)6,-5.7662047138,-0.4476161656,0.0017566246,0.0017566246,GGA,P6/mmm,AB6C6_hP39_191_ad_io_ehjk:Li-Ni-Si,39.0,"Invalid WP multiplicities - AB6C6_hP39_191_ad_2io_2ehj2k:Li-Ni-Si, expected Li3(Si13Ni12)2 to be Li(SiNi)6" +mp-859789,Li2Si5Ni2O13,-7.599176417,-2.7441008493,0.0541549875,0.0541549875,GGA+U,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Li-Ni-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_3i_3i_25i_9i:Li-Ni-O-Si, expected Li3Si9Ni3O25 to be Li2Si5Ni2O13" +mp-543079,Rb5Si2NiO8,-6.0757030981,-2.2565185486,0.0324900416,0.0324900416,GGA+U,C2/c,AB8C5D2_mC64_15_a_4f_e2f_f:Ni-O-Rb-Si,32.0,"Invalid WP multiplicities - AB8C5D2_mC64_15_c_15f_e8f_f:Ni-O-Rb-Si, expected Rb17Si2NiO30 to be Rb5Si2NiO8" +mp-757686,Li2Si3Ni2O9,-7.3046611368,-2.5437691627,0.0783205795,0.0783205795,GGA+U,P3_2,A2B2C9D3_hP96_145_4a_4a_18a_6a:Li-Ni-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_hP96_145_10a_8a_53a_16a:Li-Ni-O-Si, expected Li10Si16Ni8O53 to be Li2Si3Ni2O9" +mp-1265127,Li2Si3Ni2O9,-7.3152448338,-2.5543528597,0.0677368825,0.0677368825,GGA+U,P3_2,A2B2C9D3_hP96_145_4a_4a_18a_6a:Li-Ni-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_hP96_145_10a_8a_53a_16a:Li-Ni-O-Si, expected Li10Si16Ni8O53 to be Li2Si3Ni2O9" +mp-770701,Li2Si4NiO10,-7.5847491106,-2.833799602,0.063709136,0.063709136,GGA+U,P-1,A2BC10D4_aP34_2_2i_i_10i_4i:Li-Ni-O-Si,34.0,"Invalid WP multiplicities - A2BC10D4_aP34_2_3i_i_19i_7i:Li-Ni-O-Si, expected Li3Si7NiO19 to be Li2Si4NiO10" +mp-766697,Li2Si4NiO10,-7.556986559,-2.8060370504,0.0914716876,0.0914716876,GGA+U,P2_1/c,A2BC10D4_mP68_14_2e_e_10e_4e:Li-Ni-O-Si,68.0,"Invalid WP multiplicities - A2BC10D4_mP68_14_5e_e_37e_13e:Li-Ni-O-Si, expected Li5Si13NiO37 to be Li2Si4NiO10" +mp-1261461,Li2Si4NiO10,-7.5715138335,-2.8205643250000003,0.0769444131,0.0769444131,GGA+U,P2_1/c,A2BC10D4_mP68_14_2e_e_10e_4e:Li-Ni-O-Si,68.0,"Invalid WP multiplicities - A2BC10D4_mP68_14_5e_e_37e_13e:Li-Ni-O-Si, expected Li5Si13NiO37 to be Li2Si4NiO10" +mp-766687,Li2Si4NiO10,-7.5614987734,-2.8105492648,0.0869594732,0.0869594732,GGA+U,P2_12_12_1,A2BC10D4_oP68_19_2a_a_10a_4a:Li-Ni-O-Si,68.0,"Invalid WP multiplicities - A2BC10D4_oP68_19_5a_a_37a_13a:Li-Ni-O-Si, expected Li5Si13NiO37 to be Li2Si4NiO10" +mp-753399,Li3SiNi3O8,-6.3681419367,-1.8304081793,0.0534898466,0.0534898466,GGA+U,P2/m,A3B3C8D_mP15_10_gk_aj_mno_b:Li-Ni-O-Si,30.0,"Invalid WP multiplicities - A3B3C8D_mP15_10_cl_2a2j_mno_b:Li-Ni-O-Si, expected Li3Si(Ni3O4)2 to be Li3SiNi3O8" +mp-753300,LiSi2NiO6,-7.3287448357,-2.5067620483,0.0816686268,0.0816686268,GGA+U,C222,ABC6D2_oC20_21_a_b_fl_k:Li-Ni-O-Si,40.0,ABC6D2_oC20_21_a_b_fl_k:Li-Ni-O-Si +mp-766974,Li2Si2Ni3O8,-6.9885962278,-2.2164361262,0.0863967239,0.0863967239,GGA+U,P1,A2B3C8D2_aP45_1_6a_9a_24a_6a:Li-Ni-O-Si,45.0,A2B3C8D2_aP45_1_6a_9a_24a_6a:Li-Ni-O-Si +mp-765576,LiSi4NiO10,-7.7130328444,-2.7844566707,0.0588245347,0.0588245347,GGA+U,P2/c,ABC10D4_mP32_13_e_e_bf4g_2g:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - ABC10D4_mP32_13_e_e_2b2f15g_5g:Li-Ni-O-Si, expected LiSi10NiO34 to be LiSi4NiO10" +mp-754230,Li3SiNiO5,-6.4273999045,-2.2608332179,0.0687364003,0.0687364003,GGA+U,P-1,A3BC5D_aP20_2_ac2i_i_5i_i:Li-Ni-O-Si,40.0,A3BC5D_aP20_2_ac2i_i_5i_i:Li-Ni-O-Si +mp-756210,Li3SiNiO5,-6.4137099562,-2.2471432696,0.0824263486,0.0824263486,GGA+U,P-1,A3BC5D_aP20_2_3i_i_5i_i:Li-Ni-O-Si,40.0,A3BC5D_aP20_2_3i_i_5i_i:Li-Ni-O-Si +mp-766472,Li3SiNiO5,-6.4472926903,-2.2807260036,0.0488436146,0.0488436146,GGA+U,Pna2_1,A3BC5D_oP40_33_3a_a_5a_a:Li-Ni-O-Si,40.0,"Invalid WP multiplicities - A3BC5D_oP40_33_6a_a_10a_a:Li-Ni-O-Si, expected Li6SiNiO10 to be Li3SiNiO5" +mp-1296460,Li2SiNiO4,-6.7859374609,-2.4346805499,0.0326481116,0.0326481116,GGA+U,P1,A2BC4D_aP32_1_8a_4a_16a_4a:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_aP16_1_4a_4a_8a_2a:Li-Ni-O-Si, expected Li2Si(NiO2)2 to be Li2SiNiO4" +mp-1648601,Li2SiNiO4,-6.7448905612,-2.3936336502,0.0736950113,0.0736950113,GGA+U,P1,A2BC4D_aP24_1_6a_3a_12a_3a:Li-Ni-O-Si,48.0,"Invalid WP multiplicities - A2BC4D_aP24_1_6a_6a_12a_3a:Li-Ni-O-Si, expected Li2Si(NiO2)2 to be Li2SiNiO4" +mp-1302404,Li2SiNiO4,-6.7852457634,-2.4339888524,0.0333398091,0.0333398091,GGA+U,C2,A2BC4D_mC32_5_abc_c_4c_ab:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mC32_5_abc_c_6c_ab:Li-Ni-O-Si, expected Li2SiNiO6 to be Li2SiNiO4" +mp-766710,Li2SiNiO4,-6.7976458006,-2.4463888896,0.0209397719,0.0209397719,GGA+U,Pc,A2BC4D_mP16_7_2a_a_4a_a:Li-Ni-O-Si,32.0,A2BC4D_mP16_7_2a_a_4a_a:Li-Ni-O-Si +mp-766812,Li2SiNiO4,-6.7921673288,-2.4409104177,0.0264182437,0.0264182437,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_5e_e_13e_e:Li-Ni-O-Si, expected Li5SiNiO13 to be Li2SiNiO4" +mp-766582,Li2SiNiO4,-6.7785503503,-2.4272934393,0.0400352222,0.0400352222,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_3e_e_7e_e:Li-Ni-O-Si, expected Li3SiNiO7 to be Li2SiNiO4" +mp-1177859,Li2SiNiO4,-6.78089352,-2.429636609,0.0376920525,0.0376920525,GGA+U,C222_1,A2BC4D_oC32_20_ab_a_2c_b:Li-Ni-O-Si,16.0,"Invalid WP multiplicities - A2BC4D_oC32_20_2ab_b_3c_a:Li-Ni-O-Si, expected Li3SiNiO6 to be Li2SiNiO4" +mp-766711,Li2SiNiO4,-6.7283008563,-2.3770439452,0.0902847162,0.0902847162,GGA+U,Pca2_1,A2BC4D_oP64_29_4a_2a_8a_2a:Li-Ni-O-Si,64.0,"Invalid WP multiplicities - A2BC4D_oP64_29_16a_5a_30a_5a:Li-Ni-O-Si, expected Li16Si5(NiO6)5 to be Li2SiNiO4" +mp-766475,Li2SiNiO4,-6.7487179708,-2.3974610597,0.0698676017,0.0698676017,GGA+U,Pca2_1,A2BC4D_oP64_29_4a_2a_8a_2a:Li-Ni-O-Si,64.0,"Invalid WP multiplicities - A2BC4D_oP64_29_13a_5a_29a_5a:Li-Ni-O-Si, expected Li13Si5Ni5O29 to be Li2SiNiO4" +mp-756200,Li2SiNiO4,-6.8028665141,-2.451609603,0.0157190584,0.0157190584,GGA+U,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Li-Ni-O-Si,32.0,A2BC4D_oP16_31_b_a_2ab_a:Li-Ni-O-Si +mp-861603,Li2SiNiO4,-6.7925405288,-2.4412836177,0.0260450437,0.0260450437,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Ni-O-Si, expected Li5SiNiO13 to be Li2SiNiO4" +mp-766496,Li2SiNiO4,-6.7908854709,-2.4396285599,0.0277001016,0.0277001016,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Ni-O-Si, expected Li5SiNiO13 to be Li2SiNiO4" +mp-1177860,Li2SiNiO4,-6.7953220403,-2.4440651293,0.0232635322,0.0232635322,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Ni-O-Si, expected Li5SiNiO13 to be Li2SiNiO4" +mp-766701,Li2SiNiO4,-6.7958896047,-2.4446326936,0.0226959678,0.0226959678,GGA+U,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_62_d_c_7c3d_c:Li-Ni-O-Si, expected Li2SiNiO13 to be Li2SiNiO4" +mp-766583,Li2SiNiO4,-6.8009670006,-2.4497100896,0.0176185719,0.0176185719,GGA+U,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_62_d_c_6c3d_c:Li-Ni-O-Si, expected Li2SiNiO12 to be Li2SiNiO4" +mp-757167,Li2SiNiO4,-6.7422576746,-2.3910007635,0.0763278979,0.0763278979,GGA+U,P3_1,A2BC4D_hP24_144_6a_3a_12a_3a:Li-Ni-O-Si,48.0,A2BC4D_hP24_144_2a_a_4a_a:Li-Ni-O-Si +mp-10181,LiSiNi2,-5.2106935975,-0.4870650333,0.0,-0.092720739,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Ni-Si,4.0,AB2C_cF16_225_a_c_b:Li-Ni-Si +mp-1640236,Li7Si2(NiO4)3,-6.3353344421,-2.1305939962,0.06048526,0.06048526,GGA+U,C2,A7B3C12D2_mC48_5_a3c_3b_6c_2a:Li-Ni-O-Si,24.0,"Invalid WP multiplicities - A7B3C12D2_mC48_5_a3c_3b_7c_2a:Li-Ni-O-Si, expected Li7Si2Ni3O14 to be Li7Si2(NiO4)3" +mp-756986,Li7Si2(NiO4)3,-6.3317425433,-2.1270020974,0.0640771587,0.0640771587,GGA+U,C2/m,A7B3C12D2_mC48_12_aij_dh_2i2j_g:Li-Ni-O-Si,24.0,"Invalid WP multiplicities - A7B3C12D2_mC48_12_a2i2j_ch_4i8j_g:Li-Ni-O-Si, expected Li13Si2Ni3O40 to be Li7Si2(NiO4)3" +mp-1642504,Li7Si2(NiO4)3,-6.3349633687,-2.1302229228,0.0608563333,0.0608563333,GGA+U,C2/c,A7B3C12D2_mC96_15_c3f_3e_6f_f:Li-Ni-O-Si,48.0,"Invalid WP multiplicities - A7B3C12D2_mC96_15_a7f_4e_16f_f:Li-Ni-O-Si, expected Li15Si2(NiO8)4 to be Li7Si2(NiO4)3" +mp-859799,Li9Si2Ni5O16,-6.2287133822,-1.9762557372,0.0417105665,0.0417105665,GGA+U,P-1,A9B5C16D2_aP32_2_b4i_c2i_8i_i:Li-Ni-O-Si,32.0,"Invalid WP multiplicities - A9B5C16D2_aP32_2_b7i_c3i_15i_i:Li-Ni-O-Si, expected Li15Si2Ni7O30 to be Li9Si2Ni5O16" +mp-753204,Li5Si2NiO8,-6.6018078906,-2.4925018429,0.0448033183,0.0448033183,GGA+U,C2,A5BC8D2_mC32_5_a2bc_a_4c_c:Li-Ni-O-Si,16.0,"Invalid WP multiplicities - A5BC8D2_mC32_5_a2b2c_a_8c_c:Li-Ni-O-Si, expected Li7Si2NiO16 to be Li5Si2NiO8" +mp-753715,Li4Si2NiO7,-6.8207280004,-2.6140647728,0.0316363479,0.0316363479,GGA+U,P1,A4BC7D2_aP14_1_4a_a_7a_2a:Li-Ni-O-Si,28.0,A4BC7D2_aP14_1_4a_a_7a_2a:Li-Ni-O-Si +mp-1273461,Li4Si2NiO7,-6.8201424623,-2.6134792348,0.0322218859,0.0322218859,GGA+U,P1,A4BC7D2_aP56_1_16a_4a_28a_8a:Li-Ni-O-Si,56.0,A4BC7D2_aP56_1_16a_4a_28a_8a:Li-Ni-O-Si +mp-1177304,Li4Si2NiO7,-6.8202844571,-2.6136212296,0.0320798911,0.0320798911,GGA+U,C2,A4BC7D2_mC56_5_4c_c_ab6c_2c:Li-Ni-O-Si,28.0,"Invalid WP multiplicities - A4BC7D2_mC56_5_8c_c_ab12c_4c:Li-Ni-O-Si, expected Li8Si4NiO13 to be Li4Si2NiO7" +mp-1306908,Li4Si2NiO7,-6.8197021841000005,-2.6130389566,0.0326621641,0.0326621641,GGA+U,C2,A4BC7D2_mC112_5_8c_2c_ab13c_4c:Li-Ni-O-Si,56.0,"Invalid WP multiplicities - A4BC7D2_mC112_5_14c_2c_ab23c_7c:Li-Ni-O-Si, expected Li14Si7(NiO12)2 to be Li4Si2NiO7" +mp-767687,Li4Si2NiO7,-6.8309752371,-2.6243120096,0.0213891111,0.0213891111,GGA+U,Cc,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Ni-O-Si,28.0,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Ni-O-Si +mp-756019,Li3Si2(NiO4)2,-6.816043648,-2.3019644673,0.0848577953,0.0848577953,GGA+U,P1,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Ni-O-Si,15.0,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Ni-O-Si +mp-777771,Li3Si2(NiO4)2,-6.8162509553,-2.3021717747,0.084650488,0.084650488,GGA+U,Pc,A3B2C8D2_mP30_7_3a_2a_8a_2a:Li-Ni-O-Si,30.0,A3B2C8D2_mP30_7_6a_4a_16a_4a:Li-Ni-O-Si +mp-780288,Li3Si2(NiO4)2,-6.812482019,-2.2984028383,0.0884194243,0.0884194243,GGA+U,Pc,A3B2C8D2_mP30_7_3a_2a_8a_2a:Li-Ni-O-Si,30.0,A3B2C8D2_mP30_7_6a_4a_16a_4a:Li-Ni-O-Si +mp-757292,Li3Si6NiO15,-7.5465936145,-2.8162278494,0.0894550187,0.0894550187,GGA+U,Cmce,A3BC15D6_oC200_64_def_e_3f6g_3g:Li-Ni-O-Si,100.0,"Invalid WP multiplicities - A3BC15D6_oC200_64_4d2ef_e_11f20g_5g:Li-Ni-O-Si, expected Li7Si10NiO51 to be Li3Si6NiO15" +mp-765979,Li4Si3(NiO5)2,-7.0354020629,-2.5649385877,0.0353896363,0.0353896363,GGA+U,C2/c,A4B2C10D3_mC76_15_2f_f_5f_ef:Li-Ni-O-Si,38.0,"Invalid WP multiplicities - A4B2C10D3_mC76_15_7f_f_15f_2e3f:Li-Ni-O-Si, expected Li7Si4NiO15 to be Li4Si3(NiO5)2" +mp-850290,Li2Si6Ni2O15,-7.6586872399,-2.7734729222,0.0811560649,0.0811560649,GGA+U,Cmce,A2B2C15D6_oC200_64_ef_de_3f6g_3g:Li-Ni-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_2ef_3d2e_11f16g_7g:Li-Ni-O-Si, expected Li3Si14Ni5O43 to be Li2Si6Ni2O15" +mp-863431,Li2Si3NiO8,-7.3998172268,-2.7249996415,0.0931112355,0.0931112355,GGA+U,P2_1,A2BC8D3_mP28_4_2a_a_8a_3a:Li-Ni-O-Si,28.0,"Invalid WP multiplicities - A2BC8D3_mP28_4_2a_a_16a_4a:Li-Ni-O-Si, expected Li2Si4NiO16 to be Li2Si3NiO8" +mp-757113,Li2Si3NiO8,-7.4096614425,-2.7348438573,0.0832670198,0.0832670198,GGA+U,P2_1,A2BC8D3_mP28_4_2a_a_8a_3a:Li-Ni-O-Si,28.0,"Invalid WP multiplicities - A2BC8D3_mP28_4_3a_a_15a_5a:Li-Ni-O-Si, expected Li3Si5NiO15 to be Li2Si3NiO8" +mp-766692,Li2Si3NiO8,-7.4091923514,-2.7343747662,0.0837361109,0.0837361109,GGA+U,P4_332,A2BC8D3_cP56_212_c_a_ce_d:Li-Ni-O-Si,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_212_c_a_8c9e_d:Li-Ni-O-Si, expected Li2Si3NiO70 to be Li2Si3NiO8" +mp-761324,LiSiNiO4,-6.9360114779,-2.2358497033,0.0585814765,0.0585814765,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Ni-O-Si,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Li-Ni-O-Si, expected LiSiNiO8 to be LiSiNiO4" +mp-1517169,SrCaDyFeO6,-7.287521978,-2.6423186129,0.136004088,0.136004088,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Fe-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Dy-Fe-O-Sr +mp-2240837,MgCu2(MoO4)2,-7.2241197123,-1.7576963815000002,0.1125682398,0.1125682398,GGA+U,P1,A2BC2D8_aP13_1_2a_a_2a_8a:Cu-Mg-Mo-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:Cu-Mg-Mo-O +mp-1348661,MgCu2(MoO4)2,-7.2695816475,-1.8031583167,0.0671063046,0.0671063046,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:Cu-Mg-Mo-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_6e_e_5e_26e:Cu-Mg-Mo-O, expected MgCu6Mo5O26 to be MgCu2(MoO4)2" +mp-2240406,Sr2MgCuMoO6,-6.9096026073,-2.4001247887,0.2044957864,0.2044957864,GGA+U,P1,ABCD6E2_aP11_1_a_a_a_6a_2a:Cu-Mg-Mo-O-Sr,11.0,ABCD6E2_aP11_1_a_a_a_6a_2a:Cu-Mg-Mo-O-Sr +mp-2240053,Sr2MgCuMoO6,-6.9501937,-2.4407158814,0.1639046936,0.1639046936,GGA+U,P-1,ABCD6E2_aP11_2_c_a_d_3i_i:Cu-Mg-Mo-O-Sr,11.0,ABCD6E2_aP11_2_c_a_d_3i_i:Cu-Mg-Mo-O-Sr +mp-1041857,MgCuMo2O7,-7.6032994144,-1.9653350581,0.0734447508,0.0734447508,GGA+U,P2/c,ABC2D7_mP66_13_eg_eg_3g_f10g:Cu-Mg-Mo-O,66.0,"Invalid WP multiplicities - ABC2D7_mP66_13_2e3g_2e3g_9g_2f38g:Cu-Mg-Mo-O, expected Mg4Cu4(Mo3O13)3 to be MgCuMo2O7" +mp-2230202,MgCu3(MoO3)4,-7.455704293,-1.6236660413,0.2011232994,0.2011232994,GGA+U,P1,A3BC4D12_aP20_1_3a_a_4a_12a:Cu-Mg-Mo-O,20.0,A3BC4D12_aP20_1_3a_a_4a_12a:Cu-Mg-Mo-O +mp-1043122,MgCu3(MoO3)4,-7.5345068725,-1.7024686207,0.1223207199,0.1223207199,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Mo-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Mo-O +mp-1221058,NaFeSnO4,-6.7418091907,-1.9433987331,0.0069532773,0.0069532773,GGA+U,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Fe-Na-O-Sn,28.0,ABC4D_oP28_26_2a_ab_4a4b_2b:Fe-Na-O-Sn +mp-1043991,LaMgTaFeO6,-8.708971106,-3.0545492798,0.0818139228,0.0818139228,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mg-O-Ta,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Fe-La-Mg-O-Ta +mp-2218915,MgTa2(FeO4)2,-8.97088522,-2.6763169569,0.0932498197,0.0932498197,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Ta,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Ta +mp-2218825,MgTa2(FeO4)2,-8.9688135062,-2.6742452431,0.0953215336,0.0953215336,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Ta,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-Ta +mp-2218668,MgTa2(FeO4)2,-8.94409547,-2.6495272069,0.1200395697,0.1200395697,GGA+U,P2,A2BC8D2_mP13_3_cd_a_4e_ab:Fe-Mg-O-Ta,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_3_bc_a_8e_ad:Fe-Mg-O-Ta, expected MgTa2(FeO8)2 to be MgTa2(FeO4)2" +mp-2218298,MgTa2(FeO4)2,-8.9351049238,-2.6405366608,0.1290301159,0.1290301159,GGA+U,P2,A2BC8D2_mP13_3_ac_a_4e_bd:Fe-Mg-O-Ta,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_3_ac_a_8e_bd:Fe-Mg-O-Ta, expected MgTa2(FeO8)2 to be MgTa2(FeO4)2" +mp-2218789,MgTa2(FeO4)2,-9.0037957846,-2.7092275215,0.0603392551,0.0603392551,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Fe-Mg-O-Ta,,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Fe-Mg-O-Ta, expected MgTa2(FeO8)2 to be MgTa2(FeO4)2" +mp-2219339,MgTa2(FeO4)2,-8.8613503154,-2.5667820523,0.2027847243,0.2027847243,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Fe-Mg-O-Ta,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_8_2a_a_4a4b_2a:Fe-Mg-O-Ta, expected MgTa2(FeO6)2 to be MgTa2(FeO4)2" +mp-2218623,MgTa2(FeO4)2,-8.9825912538,-2.6880229908,0.0815437859,0.0815437859,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_8a_2a:Fe-Mg-O-Ta,13.0,A2BC8D2_mC26_8_2a_a_8a_2a:Fe-Mg-O-Ta +mp-2218420,MgTa2(FeO4)2,-8.9040328746,-2.6094646115,0.1601021651,0.1601021651,GGA+U,C2/m,A2BC8D2_mC26_12_i_a_4i_i:Fe-Mg-O-Ta,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_7i_i:Fe-Mg-O-Ta, expected MgTa2(FeO7)2 to be MgTa2(FeO4)2" +mp-1345547,Mg2TaFeO6,-8.090838852,-2.7699897312,0.0947265905,0.0947265905,GGA+U,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Fe-Mg-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Fe-Mg-O-Ta, expected Mg3TaFeO18 to be Mg2TaFeO6" +mp-1046118,Mg2Ta2FeO8,-8.779329675,-3.0132030396,0.007296394,0.007296394,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Fe-Mg-O-Ta,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Fe-Mg-O-Ta, expected Mg2Ta2FeO10 to be Mg2Ta2FeO8" +mp-1042715,Mg3Ta6(FeO6)4,-8.9748677576,-2.7978915457,0.0951791016,0.0951791016,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mg-O-Ta,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_2i_ai_13i_5i:Fe-Mg-O-Ta, expected Mg3Ta10(Fe2O13)2 to be Mg3Ta6(FeO6)4" +mp-1221228,Na3TbTi2Nb2O12,-8.33488895,-3.1370989186,0.0120840084,0.0120840084,GGA,P1,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Tb-Ti,20.0,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Tb-Ti +mp-1173706,Na3TbTi2Nb2O12,-8.3403555725,-3.1425655411,0.0066173859,0.0066173859,GGA,Pmc2_1,A3B2C12DE2_oP40_26_ac_c_ab5c_b_c:Na-Nb-O-Tb-Ti,40.0,"Invalid WP multiplicities - A3B2C12DE2_oP40_26_ac_c_2a2b12c_b_c:Na-Nb-O-Tb-Ti, expected Na3TbTi2Nb2O28 to be Na3TbTi2Nb2O12" +mp-1223063,La2Ti3ZnO10,-8.7022528188,-3.4344327573,0.0493518805,0.0493518805,GGA,I-4m2,A2B10C3D_tI32_119_e_2e3f_ae_c:La-O-Ti-Zn,16.0,"Invalid WP multiplicities - A2B10C3D_tI32_119_e_2e4f_ae_c:La-O-Ti-Zn, expected La2Ti3ZnO12 to be La2Ti3ZnO10" +mp-1223056,La2Ti2ZnO8,-8.5190001008,-3.4039038282,0.0742562287,0.0742562287,GGA,P-4m2,A2B8C2D_tP13_115_g_ef2g_g_a:La-O-Ti-Zn,13.0,"Invalid WP multiplicities - A2B8C2D_tP13_115_g_2e2f2g_g_a:La-O-Ti-Zn, expected La2Ti2ZnO12 to be La2Ti2ZnO8" +mp-558528,La2TiZnO6,-8.2701695395,-3.3994313291,0.0430553983,0.0430553983,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:La-O-Ti-Zn,20.0,"Invalid WP multiplicities - A2B6CD_mP20_14_e_10e_a_b:La-O-Ti-Zn, expected La2TiZnO20 to be La2TiZnO6" +mp-1398571,La2TiZnO6,-8.253161711,-3.3824235006,0.0600632267,0.0600632267,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:La-O-Ti-Zn,10.0,A2B6CD_hR30_148_c_f_a_b:La-O-Ti-Zn +mp-677094,MgTi3Nb2(PbO3)6,-7.7880718563,-2.5612170096,0.041817168,0.041817168,GGA,P-3m1,AB2C18D6E3_hP30_164_a_d_3i_c2d_bd:Mg-Nb-O-Pb-Ti,30.0,"Invalid WP multiplicities - AB2C18D6E3_hP30_164_a_d_4i_2c2d_b2d:Mg-Nb-O-Pb-Ti, expected MgTi5Nb2(PbO3)8 to be MgTi3Nb2(PbO3)6" +mp-1040382,Mg30TiNbO32,-6.4520765606,-2.9474009776,0.0838987069,0.0838987069,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Ti, expected Mg110TiNbO72 to be Mg30TiNbO32" +mp-1040364,Mg30TiNbO32,-6.4519689878,-2.9472934047,0.0840062797,0.0840062797,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Ti,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Ti, expected Mg90TiNbO80 to be Mg30TiNbO32" +mp-1034139,Mg14TiNbO16,-6.5843704697,-2.8485036842,0.1600553854,0.1600553854,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Ti, expected Mg18TiNbO20 to be Mg14TiNbO16" +mp-1034141,Mg14TiNbO16,-6.5764150184,-2.8405482329,0.1680108366,0.1680108366,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Ti,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Ti, expected Mg30TiNbO32 to be Mg14TiNbO16" +mp-2227405,MgTiNbO4,-8.4128862257,-2.7866245183,0.2769188764,0.2769188764,GGA,Imm2,ABC4D_oI14_44_a_b_2a2b_a:Mg-Nb-O-Ti,7.0,ABC4D_oI14_44_a_b_2a2b_a:Mg-Nb-O-Ti +mp-2225834,MgTiNbO4,-8.4534268043,-2.8271650969,0.2363782978,0.2363782978,GGA,I-4m2,ABC4D_tI14_119_a_b_ef_c:Mg-Nb-O-Ti,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_b_2e2f_c:Mg-Nb-O-Ti, expected MgTiNbO8 to be MgTiNbO4" +mp-1096105,Ti2NbPb,-4.25346749,3.1477665458,3.1880813658,3.1880813658,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Pb-Ti,4.0,ABC2_oI8_71_a_b_e:Nb-Pb-Ti +mp-2228339,MgTi3Nb3O12,-9.0953154463,-3.0452661961,0.132977644,0.132977644,GGA,P1,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti,19.0,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti +mp-2228373,MgTi3Nb3O12,-9.1005525732,-3.0505033229,0.1277405171,0.1277405171,GGA,P1,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti,19.0,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti +mp-2228377,MgTi3Nb3O12,-9.0839710437,-3.0339217934,0.1443220466,0.1443220466,GGA,P1,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti,19.0,AB3C12D3_aP19_1_a_3a_12a_3a:Mg-Nb-O-Ti +mp-686836,MgTiNb2(PbO3)4,-7.714456367,-2.5189946189,0.0198800665,0.0198800665,GGA,P1,AB2C12D4E_aP40_1_2a_4a_24a_8a_2a:Mg-Nb-O-Pb-Ti,40.0,AB2C12D4E_aP40_1_2a_4a_24a_8a_2a:Mg-Nb-O-Pb-Ti +mp-1222224,MgTiNb2(PbO3)4,-7.7124632085,-2.5170014604,0.021873225,0.021873225,GGA,Pmm2,AB2C12D4E_oP20_25_a_bc_ef2g2h_ef_d:Mg-Nb-O-Pb-Ti,20.0,"Invalid WP multiplicities - AB2C12D4E_oP20_25_a_bc_2e2f4g4h_2e2f_d:Mg-Nb-O-Pb-Ti, expected MgTiNb2(PbO3)8 to be MgTiNb2(PbO3)4" +mp-1222255,MgTi2Nb2(PbO3)5,-7.7724711432,-2.5581735359,0.0191968448,0.0191968448,GGA,Cm,AB2C15D5E2_mC50_8_a_2a_5a5b_5a_2a:Mg-Nb-O-Pb-Ti,25.0,"Invalid WP multiplicities - AB2C15D5E2_mC50_8_a_2a_5a10b_5a_2a:Mg-Nb-O-Pb-Ti, expected MgTi2Nb2(PbO5)5 to be MgTi2Nb2(PbO3)5" +mp-1048076,Mg2TiNb2O8,-8.47917142,-3.0274658903,0.1043614906,0.1043614906,GGA,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Mg-Nb-O-Ti,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Mg-Nb-O-Ti, expected Mg2TiNb2O10 to be Mg2TiNb2O8" +mp-1031396,Mg6TiNbO8,-6.9065791781,-2.7083299877,0.254747852,0.254747852,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Ti, expected Mg6TiNbO12 to be Mg6TiNbO8" +mp-1031408,Mg6TiNbO8,-6.8307638825,-2.6325146921,0.3305631477,0.3305631477,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Ti,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Ti, expected Mg6TiNbO12 to be Mg6TiNbO8" +mp-673624,MgNb2(PbO3)3,-7.605642894,-2.4415742446,0.0315896871,0.0315896871,GGA,P1,AB2C9D3_aP15_1_a_2a_9a_3a:Mg-Nb-O-Pb,15.0,AB2C9D3_aP15_1_a_2a_9a_3a:Mg-Nb-O-Pb +mp-2665147,MgNb2(PbO3)3,-7.6242916747,-2.4602230253,0.0129409064,0.0129409064,GGA,Cm,AB2C9D3_mC30_8_a_b_a4b_ab:Mg-Nb-O-Pb,15.0,"Invalid WP multiplicities - AB2C9D3_mC30_8_a_b_a7b_ab:Mg-Nb-O-Pb, expected MgNb2(PbO5)3 to be MgNb2(PbO3)3" +mp-2230388,MgTi5NbO12,-9.0626561774,-3.2447977717,0.1074913022,0.1074913022,GGA,P1,ABC12D5_aP19_1_a_a_12a_5a:Mg-Nb-O-Ti,19.0,"Invalid WP multiplicities - ABC12D5_aP19_2_a_b_12i_c3i:Mg-Nb-O-Ti, expected MgTi7NbO24 to be MgTi5NbO12" +mp-2231549,MgTi5NbO12,-9.0564795,-3.2386210943,0.1136679796,0.1136679796,GGA,P1,ABC12D5_aP19_1_a_a_12a_5a:Mg-Nb-O-Ti,19.0,ABC12D5_aP19_1_a_a_12a_5a:Mg-Nb-O-Ti +mp-2230047,MgTi5NbO12,-9.0465993016,-3.2287408959,0.123548178,0.123548178,GGA,P-1,ABC12D5_aP19_2_c_a_6i_b2i:Mg-Nb-O-Ti,19.0,"Invalid WP multiplicities - ABC12D5_aP19_2_c_a_12i_b3i:Mg-Nb-O-Ti, expected MgTi7NbO24 to be MgTi5NbO12" +mp-2231449,MgTi5NbO12,-9.0656798205,-3.2478214148,0.104467659,0.104467659,GGA,P-1,ABC12D5_aP19_2_a_b_6i_c2i:Mg-Nb-O-Ti,19.0,"Invalid WP multiplicities - ABC12D5_aP19_2_a_b_12i_c3i:Mg-Nb-O-Ti, expected MgTi7NbO24 to be MgTi5NbO12" +mp-31042,Ca9Mn4Bi9,-4.5975343193,-0.5401314894,0.1119462228,0.1119462228,GGA,Pbam,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Ca-Mn,44.0,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Ca-Mn +mp-1227572,Ca2HoMn4BiO12,-7.9030954415,-2.4809742683,0.0274975548,0.0274975548,GGA+U,Pm,AB2CD4E12_mP20_6_a_ab_b_2c_2a2b4c:Bi-Ca-Ho-Mn-O,20.0,"Invalid WP multiplicities - AB2CD4E12_mP20_6_a_ab_b_4c_2a2b8c:Bi-Ca-Ho-Mn-O, expected Ca2HoMn8BiO20 to be Ca2HoMn4BiO12" +mp-1227720,Ca2HoMn4BiO12,-7.756963283,-2.3348421098,0.1736297133,0.1736297133,GGA+U,Pm,AB2CD4E12_mP20_6_a_ab_b_2c_2a2b4c:Bi-Ca-Ho-Mn-O,20.0,"Invalid WP multiplicities - AB2CD4E12_mP20_6_a_ab_b_4c_2a2b8c:Bi-Ca-Ho-Mn-O, expected Ca2HoMn8BiO20 to be Ca2HoMn4BiO12" +mp-1227754,Ca3HoMn4O12,-7.9852573335,-2.6548806228,0.0153517987,0.0153517987,GGA+U,Pm,A3BC4D12_mP20_6_a2b_a_2c_2a2b4c:Ca-Ho-Mn-O,20.0,"Invalid WP multiplicities - A3BC4D12_mP20_6_a2b_a_4c_2a2b8c:Ca-Ho-Mn-O, expected Ca3HoMn8O20 to be Ca3HoMn4O12" +mp-1232482,CaMnBi2,-5.0211657338,-0.3090173757,0.1158650205,0.1158650205,GGA,P2_1/m,A2BC_mP8_11_2e_e_e:Bi-Ca-Mn,8.0,A2BC_mP8_11_2e_e_e:Bi-Ca-Mn +mp-1232776,CaMnBi2,-5.0214302006,-0.3092818426,0.1156005536,0.1156005536,GGA,C2/c,A2BC_mC32_15_2f_f_2e:Bi-Ca-Mn,16.0,A2BC_mC32_15_2f_f_2e:Bi-Ca-Mn +mp-611153,CaMnBi2,-5.0010035969,-0.2888552389,0.1360271574,0.1360271574,GGA,P4/nmm,A2BC_tP8_129_ac_c_b:Bi-Ca-Mn,16.0,A2BC_tP8_129_ac_c_b:Bi-Ca-Mn +mp-1044332,CaMnBiO5,-7.0327056084,-2.0650121261,0.0927545996,0.0927545996,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Ca-Mn-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Ca-Mn-O, expected CaMnBiO15 to be CaMnBiO5" +mp-1042623,CaMnBiO5,-7.03800738,-2.0703138977,0.0874528281,0.0874528281,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Ca-Mn-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Ca-Mn-O, expected CaMnBiO31 to be CaMnBiO5" +mp-581814,Ca21(Mn2Bi9)2,-4.161471383,-0.7220652670000001,0.0423929984,0.0423929984,GGA,C2/c,A18B21C4_mC172_15_9f_e10f_4e:Bi-Ca-Mn,86.0,"Invalid WP multiplicities - A18B21C4_mC172_15_33f_2e39f_6e:Bi-Ca-Mn, expected Ca40(MnBi11)3 to be Ca21(Mn2Bi9)2" +mp-570149,Ca14MnBi11,-3.8859044293,-0.8287585046,0.0,-0.0214325789,GGA,I4_1/acd,A11B14C_tI208_142_bf2g_e3g_a:Bi-Ca-Mn,104.0,"Invalid WP multiplicities - A11B14C_tI208_142_4b8f22g_8e37g_a:Bi-Ca-Mn, expected Ca164MnBi108 to be Ca14MnBi11" +mp-1049311,CaHo(BiO3)2,-6.8755184585,-2.4806065307000003,0.0810259717,0.0810259717,GGA,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Bi-Ca-Ho-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_4a4b:Bi-Ca-Ho-O, expected CaHo(BiO6)2 to be CaHo(BiO3)2" +mp-1227724,Ca3Mn4BiO12,-7.6376981065,-2.3444173828,0.0327838258,0.0327838258,GGA+U,Pm,AB3C4D12_mP20_6_a_a2b_2c_2a2b4c:Bi-Ca-Mn-O,20.0,"Invalid WP multiplicities - AB3C4D12_mP20_6_a_a2b_4c_2a2b8c:Bi-Ca-Mn-O, expected Ca3Mn8BiO20 to be Ca3Mn4BiO12" +mp-39739,CaHoMn2O6,-8.247718092,-2.7885009318,0.015687527,0.015687527,GGA+U,Pmn2_1,ABC2D6_oP20_31_a_a_b_2a2b:Ca-Ho-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_31_a_a_b_4a4b:Ca-Ho-Mn-O, expected CaHoMn2O12 to be CaHoMn2O6" +mp-1227762,Ca2HoMn3O9,-8.0732623705,-2.6999388433,0.0149455906,0.0149455906,GGA+U,P-1,A2BC3D9_aP60_2_4i_2i_abdf4i_18i:Ca-Ho-Mn-O,60.0,"Invalid WP multiplicities - A2BC3D9_aP60_2_6i_3i_abdf4i_36i:Ca-Ho-Mn-O, expected Ca2HoMn2O12 to be Ca2HoMn3O9" +mp-29615,Ca(MnBi)2,-5.579198524,0.0229232208,0.3628291378,0.3628291378,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Bi-Ca-Mn,5.0,A2BC2_hP5_164_d_a_d:Bi-Ca-Mn +mp-2230016,Sm2MgTi3(BiO6)2,-7.9119905995,-2.8237320412,0.360409047,0.360409047,GGA,I4/mmm,A2BC12D2E3_tI40_139_e_a_cd2eg_e_be:Bi-Mg-O-Sm-Ti,20.0,"Invalid WP multiplicities - A2BC12D2E3_tI40_139_e_a_2cd3e2g_e_b2e:Bi-Mg-O-Sm-Ti, expected Sm2MgTi5(BiO10)2 to be Sm2MgTi3(BiO6)2" +mp-557438,Sm2Ti3(BiO6)2,-8.3988214837,-3.1269851092,0.0403000925,0.0403000925,GGA,I4/mmm,A2B12C2D3_tI38_139_e_cd2eg_e_ae:Bi-O-Sm-Ti,19.0,"Invalid WP multiplicities - A2B12C2D3_tI38_139_e_2cd3e2g_e_a2e:Bi-O-Sm-Ti, expected Sm2Ti5(BiO10)2 to be Sm2Ti3(BiO6)2" +mp-7117,LiAlSe2,-4.4868153512,-1.3252349383,0.0,-0.0914783406,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Al-Li-Se,16.0,ABC2_oP16_33_a_a_2a:Al-Li-Se +mp-1038227,LiMg30AlO32,-6.3567830623,-3.0449558911,0.010926835,0.010926835,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Li-Mg-O, expected LiMg110AlO72 to be LiMg30AlO32" +mp-1038204,LiMg30AlO32,-6.3604953923,-3.0486682211,0.007214505,0.007214505,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Li-Mg-O, expected LiMg90AlO80 to be LiMg30AlO32" +mp-1036537,LiMg14AlO16,-6.3879132066,-3.0377432448,0.0199819082,0.0199819082,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Li-Mg-O, expected LiMg18AlO20 to be LiMg14AlO16" +mp-1036528,LiMg14AlO16,-6.3779594791,-3.0277895173,0.0299356357,0.0299356357,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Li-Mg-O, expected LiMg30AlO32 to be LiMg14AlO16" +mp-532676,LiMgAl3(SeO4)6,-6.1944420849,-1.7818155608,0.0083043205,0.0083043205,GGA,P1,A3BCD24E6_aP70_1_6a_2a_2a_48a_12a:Al-Li-Mg-O-Se,70.0,A3BCD24E6_aP70_1_6a_2a_2a_48a_12a:Al-Li-Mg-O-Se +mp-1031514,LiMg6AlO8,-6.4313252525,-3.0044697096,0.056940297,0.056940297,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Li-Mg-O, expected LiMg6AlO12 to be LiMg6AlO8" +mp-1031524,LiMg6AlO8,-6.4224493762,-2.9955938333,0.0658161733,0.0658161733,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Li-Mg-O, expected LiMg6AlO12 to be LiMg6AlO8" +mp-1222764,LaTaTiO6,-9.6869152272,-3.6458697806,0.0099430103,-0.0015698797,GGA,C2,AB6CD_mC36_5_ab_6c_c_c:La-O-Ta-Ti,18.0,AB6CD_mC36_5_ab_6c_c_c:La-O-Ta-Ti +mp-1222878,LaTaTiO6,-9.6968582375,-3.6558127909,0.0,-0.01151289,GGA,Pna2_1,AB6CD_oP36_33_a_6a_a_a:La-O-Ta-Ti,36.0,"Invalid WP multiplicities - AB6CD_oP36_33_a_16a_a_a:La-O-Ta-Ti, expected LaTaTiO16 to be LaTaTiO6" +mp-541600,RbLaTa2O7,-9.2262385809,-3.3845188158,0.0214690977,0.0214690977,GGA,P4/mmm,AB7CD2_tP11_123_a_chi_b_h:La-O-Rb-Ta,11.0,AB7CD2_tP11_123_a_chi_b_h:La-O-Rb-Ta +mp-1219600,RbLa2Ti3O9,-8.754400088,-3.4837852391,0.0360188302,0.0360188302,GGA,P-3m1,A2B9CD3_hP15_164_d_ei_a_bd:La-O-Rb-Ti,15.0,"Invalid WP multiplicities - A2B9CD3_hP15_164_d_3e4i_a_bd:La-O-Rb-Ti, expected RbLa2Ti3O33 to be RbLa2Ti3O9" +mp-1211741,La3TaTi2O11,-9.4451539218,-3.7468975216,0.0133525124,0.0133525124,GGA,Pmc2_1,A3B11CD2_oP34_26_2ab_5a6b_a_2b:La-O-Ta-Ti,34.0,A3B11CD2_oP34_26_2ab_5a6b_a_2b:La-O-Ta-Ti +mp-1219631,RbTaTiO5,-8.9197396188,-3.2363337093,0.0,-0.0119414445,GGA,Pnma,A5BCD_oP32_62_5c_c_c_c:O-Rb-Ta-Ti,32.0,A5BCD_oP32_62_5c_c_c_c:O-Rb-Ta-Ti +mp-1219619,RbLa2TaTi2O10,-9.0208725713,-3.5228602551,0.0276170519,0.0276170519,GGA,Cm,A2B10CDE2_mC32_8_2a_4a3b_a_a_2a:La-O-Rb-Ta-Ti,16.0,A2B10CDE2_mC32_8_2a_4a3b_a_a_2a:La-O-Rb-Ta-Ti +mp-1210322,Nd6Ti4Al43,-4.5112706186,-0.336730744,0.0,-0.0163911875,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-Ti,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-Ti +mp-771059,Li4Nb2Co3Sn3O16,-7.2331687543,-2.221061973,0.0293866282,0.0293866282,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Nb-O-Sn,56.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_2a2b_4a_2a_8a4b_ab:Co-Li-Nb-O-Sn, expected Li4Nb2Co6Sn3O16 to be Li4Nb2Co3Sn3O16" +mp-753319,Li3Nb4SnO12,-8.179551676,-2.7044604185,0.0888249735,0.0888249735,GGA,P1,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-Sn,20.0,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-Sn +mp-568075,NbCoSn,-6.5258721667,0.54719273,0.8688090467,0.6983613996,GGA,F-43m,ABC_cF12_216_a_c_b:Co-Nb-Sn,3.0,ABC_cF12_216_a_c_b:Co-Nb-Sn +mp-30560,NbCoSn,-6.39259641,0.6804684867,1.0020848033,0.8316371563,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Nb-Sn,3.0,ABC_cF12_216_a_b_c:Co-Nb-Sn +mp-1094088,NbCoSn,-7.3946812133,-0.3216163167,0.0,-0.1704476471,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Nb-Sn,3.0,ABC_cF12_216_c_a_b:Co-Nb-Sn +mp-1205387,NbCo2Sn,-7.21237915,-0.1305010288,0.1107112087,0.1107112087,GGA,Pmma,A2BC_oP16_51_hk_af_be:Co-Nb-Sn,16.0,A2BC_oP16_51_hk_af_be:Co-Nb-Sn +mp-1220370,NbCo2Sn,-7.1214248275,-0.0395467063,0.2016655312,0.2016655312,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Co-Nb-Sn,4.0,A2BC_tP4_123_h_a_b:Co-Nb-Sn +mp-4583,NbCo2Sn,-7.204137,-0.1222588788,0.1189533587,0.1189533587,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Nb-Sn,4.0,A2BC_cF16_225_c_a_b:Co-Nb-Sn +mp-774896,Li4Nb3Co3(SnO8)2,-7.4560351443,-2.2263664635,0.1404082796,0.1404082796,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Nb-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Nb-O-Sn, expected Li4Nb3Co3(SnO10)2 to be Li4Nb3Co3(SnO8)2" +mp-1036504,CsMg14AlO16,-6.0532781678,-2.7347807215,0.2938088725,0.2938088725,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Cs-Mg-O, expected CsMg18AlO20 to be CsMg14AlO16" +mp-1036503,CsMg14AlO16,-6.0258875566,-2.7073901102,0.3211994838,0.3211994838,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Cs-Mg-O, expected CsMg30AlO32 to be CsMg14AlO16" +mp-1099321,CsMg14Si,-1.6109835131,0.1843065558,0.224936788,0.224936788,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Si, expected CsMg18Si to be CsMg14Si" +mp-1026699,CsMg14Si,-1.5869391744,0.2083508945,0.2489811268,0.2489811268,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Si, expected CsMg26Si to be CsMg14Si" +mp-1222632,MgAlSi4O15,-6.8171588098,-1.9958512541,0.5961961266,0.5961961266,GGA,C2/m,ABC15D4_mC84_12_h_g_egh2i5j_2j:Al-Mg-O-Si,42.0,ABC15D4_mC84_12_g_h_egh2i5j_2j:Al-Mg-O-Si +mp-1223619,MgAlSi4O15,-6.8716868514,-2.0503792958,0.5416680849000001,0.5416680849000001,GGA,Pmna,ABC15D4_oP84_53_e_f_efg2h5i_2i:Al-Mg-O-Si,84.0,ABC15D4_oP84_53_e_f_efg2h5i_2i:Al-Mg-O-Si +mp-695133,CsMg4Al9(SiO4)9,-7.8458828031,-3.3049444824,0.0194283318,0.0194283318,GGA,P1,A9BC4D36E9_aP59_1_9a_a_4a_36a_9a:Al-Cs-Mg-O-Si,59.0,A9BC4D36E9_aP59_1_9a_a_4a_36a_9a:Al-Cs-Mg-O-Si +mp-6073,Mg3Al2(SiO4)3,-7.6550768112,-3.2586662895,0.0390730253,0.0390730253,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Mg-O-Si +mp-1033065,CsMg6AlO8,-5.7222546706,-2.3587441586,0.64439473,0.64439473,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Cs-Mg-O, expected CsMg6AlO12 to be CsMg6AlO8" +mp-1099234,CsMg6AlO8,-5.6131391556,-2.2496286436,0.7535102450000001,0.7535102450000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Cs-Mg-O, expected CsMg6AlO12 to be CsMg6AlO8" +mp-1213240,MgAl2SiO5,-7.0602248328,-2.6990922443,0.4751661893,0.4751661893,GGA,Ccce,A2BC5D_oC144_68_2i_i_5i_i:Al-Mg-O-Si,72.0,A2BC5D_oC144_68_2i_i_5i_i:Al-Mg-O-Si +mp-1222670,Mg3Al7(Si2O11)2,-7.7281452462,-3.2406926149,0.0865453796,0.0865453796,GGA,Amm2,A7B3C22D4_oC144_38_2de2f_abde_2a2b2c5d5e4f_abd2e:Al-Mg-O-Si,72.0,"Invalid WP multiplicities - A7B3C22D4_oC144_38_3de2f_ab2de_2a2b4c10d5e14f_ab2d2e:Al-Mg-O-Si, expected Mg4Al8Si5O49 to be Mg3Al7(Si2O11)2" +mp-1036604,Mg14AlSiO16,-6.29569259,-2.8356352794,0.1911468903,0.1911468903,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Si, expected Mg18AlSiO20 to be Mg14AlSiO16" +mp-1036569,Mg14AlSiO16,-6.2658483666,-2.8057910559,0.2209911138,0.2209911138,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Si, expected Mg30AlSiO32 to be Mg14AlSiO16" +mp-1222213,Mg2Al2SiO9,-6.8799741929,-2.5487436078,0.3253504006,0.3253504006,GGA,P1,A2B2C9D_aP28_1_4a_4a_18a_2a:Al-Mg-O-Si,28.0,A2B2C9D_aP28_1_4a_4a_18a_2a:Al-Mg-O-Si +mp-1222230,Mg2Al2SiO9,-6.8832917718,-2.5520611867,0.3220328217,0.3220328217,GGA,P1,A2B2C9D_aP28_1_4a_4a_18a_2a:Al-Mg-O-Si,28.0,A2B2C9D_aP28_1_4a_4a_18a_2a:Al-Mg-O-Si +mp-1222223,Mg2Al2SiO9,-6.8843919321,-2.5531613471,0.3209326613,0.3209326613,GGA,P2_1,A2B2C9D_mP28_4_2a_2a_9a_a:Al-Mg-O-Si,28.0,"Invalid WP multiplicities - A2B2C9D_mP28_4_2a_4a_15a_a:Al-Mg-O-Si, expected Mg4Al2SiO15 to be Mg2Al2SiO9" +mp-1038225,CsMg30AlO32,-6.2175956909,-2.9216047775,0.1197101692,0.1197101692,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Cs-Mg-O, expected CsMg90AlO80 to be CsMg30AlO32" +mp-1037954,CsMg30AlO32,-6.2044393283,-2.9084484148,0.1328665319,0.1328665319,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Cs-Mg-O, expected CsMg110AlO72 to be CsMg30AlO32" +mp-1031540,Mg6AlSiO8,-6.1800633194,-2.5334330787,0.4660909612,0.4660909612,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Si, expected Mg6AlSiO12 to be Mg6AlSiO8" +mp-1031567,Mg6AlSiO8,-6.2893169569000005,-2.6426867163,0.3568373237,0.3568373237,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Si, expected Mg6AlSiO12 to be Mg6AlSiO8" +mp-684265,Mg2Al4Si5O18,-7.94280822,-3.3100547589,0.0237710614,0.0096369272,GGA,P1,A4B2C18D5_aP58_1_8a_4a_36a_10a:Al-Mg-O-Si,58.0,A4B2C18D5_aP58_1_8a_4a_36a_10a:Al-Mg-O-Si +mp-6174,Mg2Al4Si5O18,-7.9665792814,-3.3338258203,0.0,-0.0141341341,GGA,Cccm,A4B2C18D5_oC116_66_kl_g_3l3m_a2l:Al-Mg-O-Si,58.0,"Invalid WP multiplicities - A4B2C18D5_oC116_66_kl_g_3l10m_a2l:Al-Mg-O-Si, expected Mg2Al4Si5O46 to be Mg2Al4Si5O18" +mp-1039950,CsMg30SiO32,-6.1895141998,-2.8672773145,0.1597221346,0.1597221346,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cs-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cs-Mg-O-Si, expected CsMg90SiO80 to be CsMg30SiO32" +mp-1098474,CsMg30SiO32,-6.1692195189,-2.8469826336,0.1800168156,0.1800168156,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cs-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cs-Mg-O-Si, expected CsMg110SiO72 to be CsMg30SiO32" +mp-1017418,CsMg6Si,-1.72186479,0.2684352978,0.3277034709,0.3277034709,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Si,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Si +mp-1021157,CsMg6Si,-1.809207065,0.1810930228,0.2403611959,0.2403611959,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-Si +mp-1034837,CsMg14SiO16,-6.0003361684,-2.6293467784,0.3706118205,0.3706118205,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cs-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cs-Mg-O-Si, expected CsMg18SiO20 to be CsMg14SiO16" +mp-1099219,CsMg14SiO16,-5.9629566731,-2.5919672831,0.4079913158,0.4079913158,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cs-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cs-Mg-O-Si, expected CsMg30SiO32 to be CsMg14SiO16" +mp-695172,CsMg12Al25Si29O108,-7.9103448623,-3.30854622,0.0220925868,0.0220925868,GGA,P1,A25BC12D108E29_aP175_1_25a_a_12a_108a_29a:Al-Cs-Mg-O-Si,175.0,A25BC12D108E29_aP175_1_25a_a_12a_108a_29a:Al-Cs-Mg-O-Si +mp-1233307,MgAl2(Si3O8)2,-8.0657188596,-3.2341044888,0.0720879644,0.0720879644,GGA,P1,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si,25.0,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si +mp-1233408,MgAl2(Si3O8)2,-8.0606813988,-3.229067028,0.0771254252,0.0771254252,GGA,P1,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si,25.0,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si +mp-1234153,MgAl2(Si3O8)2,-8.0369547288,-3.205340358,0.1008520952,0.1008520952,GGA,P1,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si,25.0,A2BC16D6_aP25_1_2a_a_16a_6a:Al-Mg-O-Si +mp-1222440,Mg3Al(SiO4)3,-7.2777593039,-2.8470943247,0.1730189113,0.1730189113,GGA,Cc,AB3C12D3_mC76_9_a_3a_12a_3a:Al-Mg-O-Si,38.0,AB3C12D3_mC76_9_a_3a_12a_3a:Al-Mg-O-Si +mp-1257226,CsMg6SiO8,-6.1232598775,-2.654765478,0.2911114204,0.2911114204,GGA,P1,AB6C8D_aP16_1_a_6a_8a_a:Cs-Mg-O-Si,16.0,AB6C8D_aP16_1_a_6a_8a_a:Cs-Mg-O-Si +mp-1031233,CsMg6SiO8,-5.5898809275,-2.121386528,0.8244903704000001,0.8244903704000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cs-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cs-Mg-O-Si, expected CsMg6SiO12 to be CsMg6SiO8" +mp-1030871,CsMg6SiO8,-5.6589352925,-2.190440893,0.7554360054,0.7554360054,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cs-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cs-Mg-O-Si, expected CsMg6SiO12 to be CsMg6SiO8" +mp-1210996,Mg2Al3(SiO3)6,-6.8931078491,-2.2024322432,1.0840235263,1.0840235263,GGA,Cccm,A3B2C18D6_oC116_66_ak_g_3l3m_3l:Al-Mg-O-Si,58.0,A3B2C18D6_oC116_66_ak_g_3l3m_3l:Al-Mg-O-Si +mp-1210628,MgAl2SiO7,-7.2998633477,-2.8322660097,0.245978512,0.245978512,GGA,P-1,A2BC7D_aP22_2_abce_i_7i_i:Al-Mg-O-Si,22.0,A2BC7D_aP22_2_abce_i_7i_i:Al-Mg-O-Si +mp-1210718,MgAl2SiO7,-7.299213883,-2.8316165449,0.2466279768,0.2466279768,GGA,C2/c,A2BC7D_mC88_15_cef_f_7f_f:Al-Mg-O-Si,44.0,A2BC7D_mC88_15_cef_f_7f_f:Al-Mg-O-Si +mp-1038212,Mg30AlSiO32,-6.2991832002,-2.9324123545000003,0.10799888,0.10799888,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Si, expected Mg110AlSiO72 to be Mg30AlSiO32" +mp-1038247,Mg30AlSiO32,-6.3100154059,-2.9432445603,0.0971666742,0.0971666742,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Si, expected Mg90AlSiO80 to be Mg30AlSiO32" +mp-1019610,Cs2MgSi5O12,-7.634932970699999,-3.1410359967,0.0,-0.0500970488,GGA,Pbca,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Mg-O-Si,160.0,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Mg-O-Si +mp-567781,Cs3Zr7BCl20,-5.6679464445,-2.2431001059,0.0,-0.0452096407,GGA,R-3c,AB20C3D7_hR186_167_b_c2e2f_d_af:B-Cl-Cs-Zr,62.0,"Invalid WP multiplicities - AB20C3D7_hR186_167_b_4c9e15f_d_2a2f:B-Cl-Cs-Zr, expected Cs3Zr14BCl125 to be Cs3Zr7BCl20" +mp-1213588,CsRbZr6BCl15,-5.8499751035,-2.2012425246,0.0,-0.0422184446,GGA,Pmma,AB15CDE6_oP96_51_af_efgijk5l_be_k_2fi2l:B-Cl-Cs-Rb-Zr,96.0,AB15CDE6_oP96_51_af_efgijk5l_be_k_2fi2l:B-Cl-Cs-Rb-Zr +mp-1209995,RbZr6BCl15,-5.948975244,-2.1805326561,0.0,-0.0258663397,GGA,Pmma,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:B-Cl-Rb-Zr,92.0,AB15CD6_oP92_51_af_efgijk5l_k_2fi2l:B-Cl-Rb-Zr +mp-1522520,SrPrGdNiO6,-8.24262024,-2.6419412004,0.1805287696,0.1805287696,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Gd-Ni-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Gd-Ni-O-Pr-Sr +mp-1218235,SrGdNiO4,-8.5346425657,-2.6299986774,0.0380886345,0.0380886345,GGA+U,I4mm,ABC4D_tI14_107_a_a_2ab_a:Gd-Ni-O-Sr,7.0,ABC4D_tI14_107_a_a_2ab_a:Gd-Ni-O-Sr +mp-561268,As3Pb2ClO6,-6.0617722065,-1.6508290163,0.0,-0.0058359764,GGA,Pnma,A3BC6D2_oP48_62_3c_c_2c2d_2c:As-Cl-O-Pb,48.0,"Invalid WP multiplicities - A3BC6D2_oP48_62_12c_c_6c11d_4c:As-Cl-O-Pb, expected As12Pb4ClO28 to be As3Pb2ClO6" +mp-28069,Ca3AsCl3,-4.5809212129,-2.2635600664,0.0,-0.056520305,GGA,Pm-3m,AB3C3_cP7_221_a_d_c:As-Ca-Cl,7.0,AB3C3_cP7_221_a_d_c:As-Ca-Cl +mp-560595,Ca2AsClO4,-6.5434665053,-2.7552652966,0.0,-0.0050627534,GGA,Pbcm,AB2CD4_oP32_57_c_cd_d_2e:As-Ca-Cl-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_57_c_cd_d_5e:As-Ca-Cl-O, expected Ca2AsClO10 to be Ca2AsClO4" +mp-725644,AsPb2Cl2O3,-5.326074395,-1.4983803952,0.1721659013,0.1721659013,GGA,P2_1/m,AB2C3D2_mP16_11_e_2e_ef_2e:As-Cl-O-Pb,16.0,AB2C3D2_mP16_11_e_2e_ef_2e:As-Cl-O-Pb +mp-560394,AsPbClO2,-5.6607293468,-1.6379934353,0.0,-0.0051418126,GGA,P2_12_12_1,ABC2D_oP40_19_2a_2a_4a_2a:As-Cl-O-Pb,40.0,"Invalid WP multiplicities - ABC2D_oP40_19_5a_6a_13a_4a:As-Cl-O-Pb, expected As5Pb4Cl6O13 to be AsPbClO2" +mp-566301,As3Pb5ClO12,-6.2206860895,-1.756429339,0.0,-0.0329167052,GGA,P2_1/c,A3BC12D5_mP84_14_3e_e_12e_5e:As-Cl-O-Pb,84.0,"Invalid WP multiplicities - A3BC12D5_mP84_14_7e_e_44e_16e:As-Cl-O-Pb, expected As7Pb16ClO44 to be As3Pb5ClO12" +mp-645291,As3Pb5ClO12,-6.2166238845,-1.752367134,0.004062205,-0.0288545002,GGA,P6_3/m,A3BC12D5_hP42_176_h_b_2hi_fh:As-Cl-O-Pb,42.0,"Invalid WP multiplicities - A3BC12D5_hP42_176_h_b_8h4i_4f5h:As-Cl-O-Pb, expected As3Pb23ClO48 to be As3Pb5ClO12" +mp-1227203,Ca5As3ClO12,-6.8004058579,-2.7425889145,0.0,-0.0189323109,GGA,P6_3,A3B5CD12_hP42_173_c_2bc_a_4c:As-Ca-Cl-O,42.0,A3B5CD12_hP42_173_c_2bc_a_4c:As-Ca-Cl-O +mp-649619,As3Pb5ClO9,-5.9284133406,-1.5445619169,0.0869122311,0.0752272123,GGA,P6_3,A3BC9D5_hP36_173_c_b_3c_abc:As-Cl-O-Pb,36.0,"Invalid WP multiplicities - A3BC9D5_hP36_173_c_b_12c_a2b3c:As-Cl-O-Pb, expected As3Pb12ClO36 to be As3Pb5ClO9" +mp-510724,As3Pb5ClO9,-6.0153255717,-1.631474148,0.0,-0.0116850188,GGA,P6_3/m,A3BC9D5_hP36_176_h_b_hi_fh:As-Cl-O-Pb,36.0,A3BC9D5_hP36_176_h_b_hi_fh:As-Cl-O-Pb +mp-680722,As2Pb14Cl4O17,-5.7504948372,-1.6212204987,0.0,-0.0090913837,GGA,C2/c,A2B4C17D14_mC148_15_f_2f_3e7f_7f:As-Cl-O-Pb,74.0,"Invalid WP multiplicities - A2B4C17D14_mC148_15_f_4f_6e24f_21f:As-Cl-O-Pb, expected AsPb21Cl4O27 to be As2Pb14Cl4O17" +mp-557347,Ca2As3Pb3ClO12,-6.461574156,-2.1598933283,0.0,-0.0090001591,GGA,P6_3/m,A3B2CD12E3_hP42_176_h_f_b_2hi_h:As-Ca-Cl-O-Pb,42.0,"Invalid WP multiplicities - A3B2CD12E3_hP42_176_h_f_b_10h7i_h:As-Ca-Cl-O-Pb, expected Ca2As3Pb3ClO72 to be Ca2As3Pb3ClO12" +mp-653995,As4Pb8Cl6O11,-5.5016429621,-1.5760413771,0.0421049403,0.0421049403,GGA,P2_1/c,A4B6C11D8_mP116_14_4e_6e_11e_8e:As-Cl-O-Pb,116.0,"Invalid WP multiplicities - A4B6C11D8_mP116_14_14e_20e_44e_25e:As-Cl-O-Pb, expected As14Pb25(Cl5O11)4 to be As4Pb8Cl6O11" +mp-1520831,BaSrDySeO6,-6.804347677,-2.6652177792,0.1797589059,0.1797589059,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Se-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Dy-O-Se-Sr +mp-1218037,Ta3Fe8Si,-9.232093665,-0.168858615,0.0900027744,0.0900027744,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Fe-Si-Ta,12.0,A8BC3_hP12_156_2b2d_a_a2c:Fe-Si-Ta +mp-1228561,Ba3Ta6Fe2O21,-9.3568812636,-3.178003265,0.0,-0.0066419359,GGA+U,C2/c,A3B2C21D6_mC128_15_ef_f_e10f_3f:Ba-Fe-O-Ta,64.0,"Invalid WP multiplicities - A3B2C21D6_mC128_15_2e2f_f_2e37f_9f:Ba-Fe-O-Ta, expected Ba3Ta9FeO38 to be Ba3Ta6Fe2O21" +mp-1190340,Ba3TaFe3(SiO7)2,-8.2168246765,-2.8633879766,0.0,-0.0017849012,GGA+U,P321,A3B3C14D2E_hP23_150_e_f_d2g_d_a:Ba-Fe-O-Si-Ta,23.0,A3B3C14D2E_hP23_150_e_f_d2g_d_a:Ba-Fe-O-Si-Ta +mp-6169,Ba3Ta6(Si2O13)2,-9.2597904777,-3.4336681902,0.0,-0.0449329606,GGA,P-62m,A3B26C4D6_hP39_189_f_dfgil_h_i:Ba-O-Si-Ta,39.0,"Invalid WP multiplicities - A3B26C4D6_hP39_189_f_dfgi2l_h_i:Ba-O-Si-Ta, expected Ba3Ta6(Si2O19)2 to be Ba3Ta6(Si2O13)2" +mp-1101943,TaFeSi,-9.1757430225,-0.5913707325,0.0,-0.0851822537,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Si-Ta,12.0,ABC_oP12_62_c_c_c:Fe-Si-Ta +mp-1217941,TaFe4Si,-8.6149077392,-0.0877109892,0.234024203,0.234024203,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Fe-Si-Ta,12.0,A4BC_hP12_164_abi_d_d:Fe-Si-Ta +mp-559929,Ba3Ta6Si4O23,-9.0531182533,-3.1537098345,0.1777570938,0.1777570938,GGA,P-62m,A3B23C4D6_hP36_189_g_cfil_h_i:Ba-O-Si-Ta,36.0,"Invalid WP multiplicities - A3B23C4D6_hP36_189_g_2c3f5i7l_h_i:Ba-O-Si-Ta, expected Ba3Ta6Si4O127 to be Ba3Ta6Si4O23" +mp-1205671,Ba2TaFeO6,-8.3924803525,-3.0078922538,0.0,-0.0594622443,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Ta,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-Ta +mp-542996,Ta6Fe16Si7,-8.8816947124,-0.4456867348,0.0,-0.03487063,GGA,Fm-3m,A16B7C6_cF116_225_2f_ad_e:Fe-Si-Ta,29.0,A16B7C6_cF116_225_2f_ad_e:Fe-Si-Ta +mp-1193899,Ta4Fe4Si7,-8.4850709283,-0.5325094903,0.0,-0.0125444559,GGA,I4/mmm,A4B7C4_tI60_139_k_ehij_hi:Fe-Si-Ta,30.0,A4B7C4_tI60_139_k_ehij_hi:Fe-Si-Ta +mp-1228547,Ba4Ta10FeO30,-9.647202176,-3.3555497625,0.0,-0.0057866529,GGA+U,Imm2,A4BC30D10_oI90_44_2a2b_a_ab2c4d4e_c2e:Ba-Fe-O-Ta,45.0,"Invalid WP multiplicities - A4BC30D10_oI90_44_2a2b_a_ab2c8d4e_c2e:Ba-Fe-O-Ta, expected Ba4Ta10FeO38 to be Ba4Ta10FeO30" +mp-756722,YbPrO2,-7.3223946587,-3.2689217944,0.1028611224,0.1028611224,GGA,I4_1/amd,A2BC_tI16_141_e_a_b:O-Pr-Yb,,A2BC_tI16_141_e_a_b:O-Pr-Yb +mp-1101163,YbPrO2,-7.3534539875,-3.2999811231,0.0718017936,0.0718017936,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Pr-Yb,,A2BC_hR12_166_c_a_b:O-Pr-Yb +mp-1228154,Ba4YbPr(Cu3O7)2,-6.2359903154,-2.0880943241,0.0339362117,0.0339362117,GGA,Cmmm,A4B6C14DE_oC52_65_kl_fm_hmno_a_b:Ba-Cu-O-Pr-Yb,,"Invalid WP multiplicities - A4B6C14DE_oC52_65_2k2l_fm_hmno_a_b:Ba-Cu-O-Pr-Yb, expected Ba8YbPr(Cu3O7)2 to be Ba4YbPr(Cu3O7)2" +mp-1207533,YbPrO3,-7.4260813415,-3.1939653077,0.1261043635,0.1261043635,GGA,Pnma,A3BC_oP20_62_cd_c_a:O-Pr-Yb,,A3BC_oP20_62_cd_c_a:O-Pr-Yb +mp-694919,Sr5Nd5Cu(NiO5)4,-6.9915807646,-2.4646741347,0.1651261131,0.1651261131,GGA+U,P1,AB5C4D20E5_aP35_1_a_5a_4a_20a_5a:Cu-Nd-Ni-O-Sr,35.0,AB5C4D20E5_aP35_1_a_5a_4a_20a_5a:Cu-Nd-Ni-O-Sr +mp-1519270,Ba2CeCrO6,-7.940185837,-3.0297639597,0.0764544283,0.0764544283,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Cr-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ce-Cr-O +mp-1521988,BaCe4EuO12,-8.4125847483,-3.1198848653,0.3042867222,0.3042867222,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ba-Ce-Eu-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ba-Ce-Eu-O, expected BaCe4EuO18 to be BaCe4EuO12" +mp-1517518,BaCeEuCrO6,-8.77519084,-3.0309662767,0.1660590008,0.1660590008,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Cr-Eu-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Cr-Eu-O +mp-1516700,CeEu2CrO6,-9.63475802,-3.0567307707,0.1605459007,0.1605459007,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_e:Ce-Cr-Eu-O,10.0,ABC2D6_cF40_225_a_b_c_e:Ce-Cr-Eu-O +mp-1521886,BaCe2EuO6,-8.9712928065,-3.5990640748,0.0046392146,0.0046392146,GGA,Pmc2_1,AB2CD6_oP20_26_a_c_b_ab2c:Ba-Ce-Eu-O,20.0,"Invalid WP multiplicities - AB2CD6_oP20_26_a_c_b_2ab6c:Ba-Ce-Eu-O, expected BaCe2EuO15 to be BaCe2EuO6" +mp-1522153,BaCe2EuO6,-8.906563806,-3.5343350742,0.0693682151,0.0693682151,GGA,Cmmm,AB2CD6_oC20_65_a_f_b_ehj:Ba-Ce-Eu-O,10.0,AB2CD6_oC20_65_a_f_b_ehj:Ba-Ce-Eu-O +mp-1521909,BaCe2EuO6,-8.841204152,-3.4689754203,0.1347278691,0.1347278691,GGA,P4/mmm,AB2CD6_tP10_123_c_g_d_abi:Ba-Ce-Eu-O,10.0,"Invalid WP multiplicities - AB2CD6_tP10_123_c_g_d_ab2i:Ba-Ce-Eu-O, expected BaCe2EuO10 to be BaCe2EuO6" +mp-1519106,SrEuNiBiO6,-7.141396746,-2.0166714129,0.1723598088,0.1723598088,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Ni-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Ni-O-Sr +mp-1214814,Ba2GdCoCu2O7,-7.4309980315,-2.2119500136,0.033528719,0.033528719,GGA+U,Pmmm,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Gd-O,13.0,A2BC2DE7_oP13_47_k_c_j_f_aijl:Ba-Co-Cu-Gd-O +mp-1520463,SrNdZrCrO6,-8.684826248,-3.2509741227,0.1518335055,0.1518335055,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Nd-O-Sr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Nd-O-Sr-Zr +mp-743579,SrCoBiRuO6,-6.935817189,-1.7765336704,0.085651122,0.085651122,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Bi-Co-O-Ru-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Bi-Co-O-Ru-Sr, expected SrCoBiRuO12 to be SrCoBiRuO6" +mp-1517521,BaSmEuFeO6,-8.159627139,-2.6551555038,0.1823383287,0.1823383287,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Fe-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Fe-O-Sm +mp-1228503,Ba2PrNb(CuO4)2,-7.4360584361,-2.6866238857,0.0,-0.0093184429,GGA,I4/mcm,A2B2CD8E_tI56_140_g_f_c_fhl_b:Ba-Cu-Nb-O-Pr,28.0,A2B2CD8E_tI56_140_g_f_c_fhl_b:Ba-Cu-Nb-O-Pr +mp-1221350,Na4Co9(MoO4)12,-7.8061627534,-1.8218638385,0.0,-0.0061670128,GGA+U,P1,A9B12C4D48_aP73_1_9a_12a_4a_48a:Co-Mo-Na-O,73.0,A9B12C4D48_aP73_1_9a_12a_4a_48a:Co-Mo-Na-O +mp-1221245,Na4Co(MoO4)3,-7.2434940638,-2.0287123721,0.0142623744,0.0142623744,GGA+U,C2,AB3C4D12_mC80_5_c_ab2c_2a2b2c_12c:Co-Mo-Na-O,40.0,AB3C4D12_mC80_5_c_ab2c_2a2b2c_12c:Co-Mo-Na-O +mp-1181138,Na3Co(Mo3O16)2,-6.4981486440000005,-0.916152618,0.5406235495,0.5406235495,GGA+U,P-1,AB6C3D32_aP42_2_a_3i_ei_16i:Co-Mo-Na-O,42.0,AB6C3D32_aP42_2_a_3i_ei_16i:Co-Mo-Na-O +mp-2214835,NaCo2(MoO5)2,-7.3793276707,-1.5995044563,0.1193198741,0.1193198741,GGA+U,P-1,A2B2CD10_aP15_2_ae_i_b_5i:Co-Mo-Na-O,15.0,"Invalid WP multiplicities - A2B2CD10_aP15_2_ae_i_b_7i:Co-Mo-Na-O, expected NaCo2(MoO7)2 to be NaCo2(MoO5)2" +mp-1103911,NaCo2(MoO5)2,-7.3907022453,-1.6108790309,0.1079452995,0.1079452995,GGA+U,C2/m,A2B2CD10_mC30_12_f_i_a_3ij:Co-Mo-Na-O,15.0,A2B2CD10_mC30_12_e_i_a_3ij:Co-Mo-Na-O +mp-27402,Na2CoCl4,-4.1005722311,-1.6509272279,0.0,-0.0246617396,GGA,Pnma,A4BC2_oP28_62_2cd_c_ac:Cl-Co-Na,28.0,"Invalid WP multiplicities - A4BC2_oP28_62_5c3d_c_ac:Cl-Co-Na, expected Na2CoCl11 to be Na2CoCl4" +mp-699543,Na2Co5Mo4(ClO4)4,-7.188286529,-1.7653702057,0.0,-0.0671429996,GGA+U,C2/m,A4B5C4D2E16_mC62_12_j_aj_2i_i_4i2j:Cl-Co-Mo-Na-O,62.0,"Invalid WP multiplicities - A4B5C4D2E16_mC62_12_j_2a2j_2i_i_4i2j:Cl-Co-Mo-Na-O, expected NaCo5Mo2(ClO4)2 to be Na2Co5Mo4(ClO4)4" +mp-1520985,BaSrNbBiO6,-7.554390148,-2.8313506649,0.0423461523,0.0423461523,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Nb-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Nb-O-Sr +mp-1521163,BaSrNbBiO6,-7.506130571,-2.7830910879,0.0906057293,0.0906057293,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Nb-O-Sr +mp-542399,Ba6Na2Mn2Ru2O17,-6.9985376648,-2.3390395965,0.0,-0.0090761372,GGA+U,P6_3/mmc,A6B2C2D17E2_hP58_194_ab2f_f_e_fh2k_f:Ba-Mn-Na-O-Ru,58.0,A6B2C2D17E2_hP58_194_ab2f_f_e_fh2k_f:Ba-Mn-Na-O-Ru +mp-1520668,SrEuZrFeO6,-8.808227709,-2.9437927729,0.1109680937,0.1109680937,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Zr,,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Zr +mp-1520422,Ba2SmBiO6,-6.9939131802,-2.786197439,0.0,-0.0798470585,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Sm,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Sm +mp-1520510,Ba2SmBiO6,-6.98598152,-2.7782657787,0.0079316602,-0.0719153982,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Sm,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Sm +mp-1516788,BaCaSmBiO6,-6.9890919045,-2.7727136693,0.0142792334,0.0142792334,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Ca-O-Sm,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Ca-O-Sm, expected BaCaSmBiO12 to be BaCaSmBiO6" +mp-1516910,BaCaSmBiO6,-6.9868014203,-2.7704231850000003,0.0165697176,0.0165697176,GGA,P222,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Sm,40.0,ABCD6E_oP40_16_abch_u_defg_6u_u:Ba-Bi-Ca-O-Sm +mp-1516958,BaCaSmBiO6,-6.870177146,-2.6537989108,0.1331939919,0.1331939919,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Sm,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Ca-O-Sm +mp-1260708,CaMnSi2O7,-8.0121577116,-2.8626056924,0.0978580226,0.0978580226,GGA+U,C2/c,ABC7D2_mC88_15_f_ae_7f_2f:Ca-Mn-O-Si,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_ae_27f_5f:Ca-Mn-O-Si, expected CaMnSi5O27 to be CaMnSi2O7" +mp-21096,CaMnSi,-5.8700065033,-0.3390287693,0.0602229769,0.0602229769,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ca-Mn-Si,6.0,ABC_tP6_129_c_a_c:Ca-Mn-Si +mp-1213991,CaMnSiO4,-8.2524353139,-3.0553370215,0.0,-0.0191440259,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ca-Mn-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Ca-Mn-O-Si +mp-558986,CaMn6SiO12,-8.474212907,-2.3860491971,0.0,-0.0106710993,GGA+U,I4_1/acd,AB6C12D_tI160_142_b_cef_3g_a:Ca-Mn-O-Si,80.0,"Invalid WP multiplicities - AB6C12D_tI160_142_b_6c6e4f_28g_a:Ca-Mn-O-Si, expected CaMn32SiO112 to be CaMn6SiO12" +mp-1195724,CaMn3Zn(SiO3)5,-8.1843651216,-2.9012327142,0.0059287455,0.0059287455,GGA+U,P-1,AB3C15D5E_aP50_2_i_3i_15i_5i_i:Ca-Mn-O-Si-Zn,50.0,AB3C15D5E_aP50_2_i_3i_15i_5i_i:Ca-Mn-O-Si-Zn +mp-557275,Ca3Mn2(Si2O7)2,-8.1144123389,-3.101553891,0.0156224183,0.0156224183,GGA+U,C2/c,A3B2C14D4_mC92_15_ef_ae_7f_2f:Ca-Mn-O-Si,46.0,"Invalid WP multiplicities - A3B2C14D4_mC92_15_2e2f_ae_27f_5f:Ca-Mn-O-Si, expected Ca3MnSi5O27 to be Ca3Mn2(Si2O7)2" +mp-19446,CaMn(SiO3)2,-8.283337329,-3.113498979,0.0097505171,0.0097505171,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ca-Mn-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Ca-Mn-O-Si +mp-1041904,CaMn(SiO3)2,-8.2499529733,-3.0801146233,0.0431348729,0.0431348729,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Ca-Mn-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Ca-Mn-O-Si, expected CaMnSi8O41 to be CaMn(SiO3)2" +mp-1227666,Ca4Mn6Si5O28,-7.6776887316,-2.3607500029,0.2411604787,0.2411604787,GGA+U,Amm2,A4B6C28D5_oC86_38_2c_df_8cde2f_b2c:Ca-Mn-O-Si,43.0,"Invalid WP multiplicities - A4B6C28D5_oC86_38_4c_df_16c2de7f_b4c:Ca-Mn-O-Si, expected Ca8Mn6(Si3O22)3 to be Ca4Mn6Si5O28" +mp-1191515,Ca2Mn2Si4O17,-7.4312483772,-2.306039955,0.2991681142,0.2991681142,GGA+U,C2/m,A2B2C17D4_mC50_12_i_f_a4i2j_2i:Ca-Mn-O-Si,25.0,A2B2C17D4_mC50_12_i_e_a4i2j_2i:Ca-Mn-O-Si +mp-1250185,Ca2Mn2(SiO4)3,-7.9774540289,-2.8210619779,0.0908383096,0.0908383096,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_e_c_3g_ae:Ca-Mn-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_e_c_37g_4a4e:Ca-Mn-O-Si, expected CaMn(Si3O37)2 to be Ca2Mn2(SiO4)3" +mp-1043634,CaMn(Si2O5)2,-8.2920805733,-3.146094673,0.0314482955,0.0314482955,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Ca-Mn-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_f5g_g:Ca-Mn-O-Si, expected CaMn(Si2O11)2 to be CaMn(Si2O5)2" +mp-558800,CaMn4(SiO3)5,-8.5271440796,-2.9279208049000003,0.0,-0.0006182101,GGA+U,P-1,AB4C15D5_aP50_2_i_4i_15i_5i:Ca-Mn-O-Si,50.0,"Invalid WP multiplicities - AB4C15D5_aP50_2_i_7i_29i_9i:Ca-Mn-O-Si, expected CaMn7Si9O29 to be CaMn4(SiO3)5" +mp-1214281,Ca2Mn3Si3O14,-7.9745282632,-2.6551263685,0.1104701536,0.1104701536,GGA+U,P2_1/m,A2B3C14D3_mP44_11_2e_abc_8e3f_3e:Ca-Mn-O-Si,44.0,A2B3C14D3_mP44_11_2e_abc_8e3f_3e:Ca-Mn-O-Si +mp-1265277,Ca3Mn2(SiO4)3,-8.0678936831,-3.0690412407,0.0255067017,0.0255067017,GGA+U,I4_1/acd,A3B2C12D3_tI160_142_be_c_3g_ae:Ca-Mn-O-Si,80.0,"Invalid WP multiplicities - A3B2C12D3_tI160_142_3b3e_c_37g_3a2e:Ca-Mn-O-Si, expected Ca9Mn2Si7O148 to be Ca3Mn2(SiO4)3" +mp-14051,Ca3Mn2(SiO4)3,-8.0458030899,-3.0469506474,0.0475972949,0.0475972949,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Mn-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Mn-O-Si +mp-1154719,CaMn2(SiO3)4,-8.2624386784,-2.9260614616,0.0642161436,0.0642161436,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Mn-O-Si,19.0,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Mn-O-Si +mp-1214258,Ca2MnSi2,-2.38921132,2.4155589024,2.8562961912,2.8562961912,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ca-Mn-Si,5.0,A2BC2_tP5_123_g_a_g:Ca-Mn-Si +mp-1214268,Ca2MnSi2,-2.945136918,1.8596333044,2.3003705932000003,2.3003705932000003,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ca-Mn-Si,5.0,A2BC2_tP5_123_g_a_g:Ca-Mn-Si +mp-1037496,Mg30CoCuO32,-6.3173764727,-2.9187832738,0.014018502,0.014018502,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-Cu-Mg-O, expected Mg110CoCuO72 to be Mg30CoCuO32" +mp-1037511,Mg30CoCuO32,-6.3059039059,-2.9073107071,0.0254910687,0.0254910687,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-Cu-Mg-O, expected Mg90CoCuO80 to be Mg30CoCuO32" +mp-1041418,MgCo2(CuO4)2,-6.0630022598,-1.1715531313,0.1440575331,0.1440575331,GGA+U,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:Co-Cu-Mg-O,52.0,"Invalid WP multiplicities - A2B2CD8_mP52_14_5e_6e_e_26e:Co-Cu-Mg-O, expected MgCo5(Cu3O13)2 to be MgCo2(CuO4)2" +mp-1099952,Ca7MgCo7CuO20,-6.7698951106,-2.0912649808,0.0877433523,0.0877433523,GGA+U,P1,A7B7CDE20_aP144_1_28a_28a_4a_4a_80a:Ca-Co-Cu-Mg-O,144.0,A7B7CDE20_aP144_1_28a_28a_4a_4a_80a:Ca-Co-Cu-Mg-O +mp-2232479,MgCo4(CuO4)2,-6.4315972327,-1.2445656153,0.2174095581,0.2174095581,GGA+U,C2,A4B2CD8_mC30_5_abc_c_a_4c:Co-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_abc_c_a_7c:Co-Cu-Mg-O, expected MgCo4(CuO7)2 to be MgCo4(CuO4)2" +mp-2232509,MgCo4(CuO4)2,-6.2985605613,-1.111528944,0.3504462295,0.3504462295,GGA+U,Cm,A4B2CD8_mC30_8_2ab_2a_a_4a2b:Co-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_8_2a2b_2a_a_4a3b:Co-Cu-Mg-O, expected MgCo6(CuO5)2 to be MgCo4(CuO4)2" +mp-2232156,MgCo4(CuO4)2,-6.3739833807,-1.1869517633,0.2750234101,0.2750234101,GGA+U,C2/m,A4B2CD8_mC30_12_aci_e_b_2ij:Co-Cu-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_aP15_2_ab2i_ae_c_7i:Co-Cu-Mg-O, expected MgCo6(CuO7)2 to be MgCo4(CuO4)2" +mp-1275837,CaCo4(CuO4)3,-6.42652622,-1.3216884397,0.0223223498,0.0223223498,GGA+U,R-3,AB4C3D12_hR60_148_a_bd_e_2f:Ca-Co-Cu-O,20.0,"Invalid WP multiplicities - AB4C3D12_hR60_148_a_bd_e_7f:Ca-Co-Cu-O, expected CaCo4(CuO14)3 to be CaCo4(CuO4)3" +mp-1043073,CaCo4(CuO4)3,-6.4349487467,-1.3301109665,0.0138998231,0.0138998231,GGA+U,Im-3,AB4C3D12_cI40_204_a_c_b_g:Ca-Co-Cu-O,40.0,AB4C3D12_cI40_204_a_c_b_g:Ca-Co-Cu-O +mp-1038159,CaMg30CuO32,-6.2902843433,-2.9714211119,0.0256867349,0.0256867349,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ca-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ca-Cu-Mg-O, expected CaMg110CuO72 to be CaMg30CuO32" +mp-1038089,CaMg30CuO32,-6.2921400758,-2.9732768444,0.0238310024,0.0238310024,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ca-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ca-Cu-Mg-O, expected CaMg90CuO80 to be CaMg30CuO32" +mp-1076132,Ca7MgCo7CuO24,-6.5380601205,-1.8326241326,0.1791711874,0.1791711874,GGA+U,R3m,A7B7CDE24_hR120_160_a2b_a2b_a_a_4b2c:Ca-Co-Cu-Mg-O,40.0,"Invalid WP multiplicities - A7B7CDE24_hR120_160_a6b_a4b_a_a_12b10c:Ca-Co-Cu-Mg-O, expected Ca19MgCo13CuO96 to be Ca7MgCo7CuO24" +mp-2228662,MgCo5CuO8,-6.5960147107,-1.208375685,0.299144244,0.299144244,GGA+U,P-1,A5BCD8_aP15_2_abei_c_d_4i:Co-Cu-Mg-O,15.0,"Invalid WP multiplicities - A5BCD8_aP15_2_abe2i_c_d_6i:Co-Cu-Mg-O, expected MgCo7CuO12 to be MgCo5CuO8" +mp-2228622,MgCo5CuO8,-6.646743678,-1.2591046523,0.2484152766,0.2484152766,GGA+U,C2/m,A5BCD8_mC30_12_aei_c_b_2ij:Co-Cu-Mg-O,15.0,"Invalid WP multiplicities - A5BCD8_mC30_12_b2f2i_c_a_3i2j:Co-Cu-Mg-O, expected MgCo9CuO14 to be MgCo5CuO8" +mp-1032096,Mg6CoCuO8,-6.2548878406,-2.4809681872,0.088118018,0.088118018,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Cu-Mg-O, expected Mg6CoCuO12 to be Mg6CoCuO8" +mp-1032153,Mg6CoCuO8,-6.2777548231,-2.5038351697,0.0652510355,0.0652510355,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-Cu-Mg-O, expected Mg6CoCuO12 to be Mg6CoCuO8" +mp-1350165,CaCo2(CuO4)2,-6.1628242431,-1.2401966662,0.1803164627,0.1803164627,GGA+U,P2_1/c,AB2C2D8_mP52_14_e_2e_2e_8e:Ca-Co-Cu-O,52.0,"Invalid WP multiplicities - AB2C2D8_mP52_14_e_5e_6e_26e:Ca-Co-Cu-O, expected CaCo5(Cu3O13)2 to be CaCo2(CuO4)2" +mp-1032922,CaMg6CuO8,-6.1893880431,-2.7343882594,0.0919222298,0.0919222298,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ca-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ca-Cu-Mg-O, expected CaMg6CuO12 to be CaMg6CuO8" +mp-1032928,CaMg6CuO8,-6.1877978369,-2.7327980531,0.093512436,0.093512436,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ca-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ca-Cu-Mg-O, expected CaMg6CuO12 to be CaMg6CuO8" +mp-1036393,CaMg14CuO16,-6.2564901819,-2.8922480997,0.0479272946,0.0479272946,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ca-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ca-Cu-Mg-O, expected CaMg18CuO20 to be CaMg14CuO16" +mp-1036386,CaMg14CuO16,-6.2537420166,-2.8894999344,0.0506754599,0.0506754599,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ca-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ca-Cu-Mg-O, expected CaMg30CuO32 to be CaMg14CuO16" +mp-1035635,Mg14CoCuO16,-6.3126993469,-2.7889973298,0.0225659224,0.0225659224,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-Cu-Mg-O, expected Mg18CoCuO20 to be Mg14CoCuO16" +mp-1035472,Mg14CoCuO16,-6.3080098572,-2.7843078402,0.0272554121,0.0272554121,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-Cu-Mg-O, expected Mg30CoCuO32 to be Mg14CoCuO16" +mp-2230754,MgCo4(CuO4)3,-6.271023266,-1.1864514773,0.0959290332,0.0959290332,GGA+U,P1,A4B3CD12_aP20_1_4a_3a_a_12a:Co-Cu-Mg-O,20.0,A4B3CD12_aP20_1_4a_3a_a_12a:Co-Cu-Mg-O +mp-1043110,MgCo4(CuO4)3,-6.304655832,-1.2200840433,0.0622964672,0.0622964672,GGA+U,Im-3,A4B3CD12_cI40_204_c_b_a_g:Co-Cu-Mg-O,20.0,A4B3CD12_cI40_204_c_b_a_g:Co-Cu-Mg-O +mp-2226498,MgCoCuO2,-5.803503788,-1.2632674005,0.4723554215,0.4723554215,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Co-Cu-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Co-Cu-Mg-O +mp-2242317,MgCoCuO2,-5.761276706,-1.2210403185,0.5145825035,0.5145825035,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Co-Cu-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Co-Cu-Mg-O +mp-1028187,CaMg14Cu,-1.7557927337,0.0260027194,0.0835737556,0.0835737556,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-Cu-Mg, expected CaMg18Cu to be CaMg14Cu" +mp-1028165,CaMg14Cu,-1.7495059663,0.0322894869,0.0898605231,0.0898605231,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-Cu-Mg, expected CaMg26Cu to be CaMg14Cu" +mp-1023314,CaMg6Cu,-1.9252903538,0.0380205025,0.1285142805,0.1285142805,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-Cu-Mg, expected CaMg12Cu to be CaMg6Cu" +mp-1023338,CaMg6Cu,-1.9199262669,0.0433845894,0.1338783673,0.1338783673,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-Cu-Mg, expected CaMg12Cu to be CaMg6Cu" +mp-1221942,Mn2Bi3Sb3O14,-6.98588453,-1.9183325458,0.0,-0.0305866521,GGA+U,R-3m,A3B2C14D3_hR66_166_d_ab_c2h_e:Bi-Mn-O-Sb,22.0,A3B2C14D3_hR66_166_d_ab_c2h_e:Bi-Mn-O-Sb +mp-1220739,NaYbTi2O6,-8.010859275,-3.1775342876,0.0566422354,0.0566422354,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Na-O-Ti-Yb,,"Invalid WP multiplicities - AB6C2D_oP20_31_a_3a6b_b_a:Na-O-Ti-Yb, expected NaYbTi2O15 to be NaYbTi2O6" +mp-1220769,NaYb3Ti2(SbO7)2,-7.2256342845,-2.714544348,0.0879145957,0.0879145957,GGA,C2/m,AB14C2D2E3_mC44_12_a_3i2j_f_bd_ce:Na-O-Sb-Ti-Yb,,"Invalid WP multiplicities - AB14C2D2E3_mC44_12_a_5i6j_e_bd_cf:Na-O-Sb-Ti-Yb, expected NaYb3Ti2(SbO17)2 to be NaYb3Ti2(SbO7)2" +mp-695026,NaYb3Ti2(SbO7)2,-7.2271272875,-2.7160373509,0.0864215928,0.0864215928,GGA,P2/c,AB14C2D2E3_mP44_13_a_7g_de_bf_cef:Na-O-Sb-Ti-Yb,,"Invalid WP multiplicities - AB14C2D2E3_mP44_13_a_27g_2d2e_bf_c2e2f:Na-O-Sb-Ti-Yb, expected NaYb5Ti2(Sb2O27)2 to be NaYb3Ti2(SbO7)2" +mp-6328,Na2Ti2Sb2O,-5.7510079386,-1.2309042512,0.0,-0.0385118493,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_e_c:Na-O-Sb-Ti,7.0,A2BC2D2_tI14_139_e_a_e_c:Na-O-Sb-Ti +mp-11086,La2MgCu2,-4.131045903,-0.196904383,0.0,-0.021392975,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Cu-La-Mg,10.0,A2B2C_tP10_127_g_h_a:Cu-La-Mg +mp-567932,LaMg4Cu,-2.7050006989,-0.1322783697,0.0015537878,0.0015537878,GGA,P-62m,ABC4_hP18_189_ac_f_fgk:Cu-La-Mg,18.0,"Invalid WP multiplicities - ABC4_hP18_189_ac_f_2fg3k:Cu-La-Mg, expected LaMg9Cu to be LaMg4Cu" +mp-12947,LaMgCu2,-3.8693374725,-0.1856623487,0.0,-0.0026068286,GGA,P6_3/mmc,A2BC_hP8_194_f_c_a:Cu-La-Mg,8.0,A2BC_hP8_194_f_c_a:Cu-La-Mg +mp-2241251,La2Mg(CuO2)4,-6.484457324,-1.9882819487,0.2164354507,0.2164354507,GGA,I-4,A4B2CD8_tI30_82_g_ac_b_2g:Cu-La-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_tI30_82_g_ac_b_3g:Cu-La-Mg-O, expected La2Mg(CuO3)4 to be La2Mg(CuO2)4" +mp-2226421,La2Mg(CuO3)2,-6.8519157682,-2.3654757802,0.2977616586,0.2977616586,GGA,R3,A2B2CD6_hR33_146_2a_2a_a_2b:Cu-La-Mg-O,11.0,A2B2CD6_hR33_146_2a_2a_a_2b:Cu-La-Mg-O +mp-2227268,LaMgCuO3,-6.6220674733,-2.3761408135,0.4350989317,0.4350989317,GGA,Cm,ABCD3_mC12_8_a_a_a_ab:Cu-La-Mg-O,6.0,ABCD3_mC12_8_a_a_a_ab:Cu-La-Mg-O +mp-2210625,LaMgCuO3,-6.0943890133,-1.8484623535,0.9627773917,0.9627773917,GGA,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Cu-La-Mg-O,6.0,ABCD3_tP6_123_b_c_d_ae:Cu-La-Mg-O +mp-1027902,LaMg14Cu,-1.9400373456,0.0249085591,0.0869168261,0.0869168261,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cu-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cu-La-Mg, expected LaMg18Cu to be LaMg14Cu" +mp-1027830,LaMg14Cu,-1.9231013156,0.0418445891,0.1038528561,0.1038528561,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cu-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cu-La-Mg, expected LaMg26Cu to be LaMg14Cu" +mp-2225000,MgFe5CuO8,-7.331036196,-1.489496032,0.2625970353,0.2625970353,GGA+U,Cm,AB5CD8_mC30_8_a_3ab_a_4a2b:Cu-Fe-Mg-O,15.0,AB5CD8_mC30_8_a_3ab_a_4a2b:Cu-Fe-Mg-O +mp-2232938,MgFe5CuO8,-7.410594342,-1.569054178,0.1830388893,0.1830388893,GGA+U,Cm,AB5CD8_mC30_8_a_3ab_a_4a2b:Cu-Fe-Mg-O,15.0,AB5CD8_aP15_1_a_5a_a_8a:Cu-Fe-Mg-O +mp-2232260,MgFe5CuO8,-7.346803662,-1.505263498,0.2468295693,0.2468295693,GGA+U,C2/m,AB5CD8_mC30_12_a_cei_b_2ij:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - AB5CD8_mC30_12_b_c2fi_a_4ij:Cu-Fe-Mg-O, expected MgFe7CuO12 to be MgFe5CuO8" +mp-2232290,MgFe5CuO8,-7.2033945973,-1.3618544333,0.390238634,0.390238634,GGA+U,R-3m,AB5CD8_hR45_166_a_cd_b_ch:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - AB5CD8_hR45_166_a_cd_b_2ch:Cu-Fe-Mg-O, expected MgFe5CuO10 to be MgFe5CuO8" +mp-1032624,Mg6FeCuO8,-6.4236283788,-2.5646022619,0.0567596695,0.0567596695,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cu-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cu-Fe-Mg-O, expected Mg6FeCuO12 to be Mg6FeCuO8" +mp-1032638,Mg6FeCuO8,-6.3871474506,-2.5281213337,0.0932405977,0.0932405977,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cu-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cu-Fe-Mg-O, expected Mg6FeCuO12 to be Mg6FeCuO8" +mp-2232148,MgFe4(CuO4)2,-6.900121858,-1.34996933,0.3389565897,0.3389565897,GGA+U,Cm,A2B4CD8_mC30_8_b_4a_a_4a2b:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_8_b_4a_a_4a3b:Cu-Fe-Mg-O, expected MgFe4(CuO5)2 to be MgFe4(CuO4)2" +mp-2232631,MgFe4(CuO4)2,-6.9428573747,-1.3927048467,0.296221073,0.296221073,GGA+U,C2/m,A2B4CD8_mC30_12_e_aci_b_2ij:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_f_bci_a_3i3j:Cu-Fe-Mg-O, expected MgFe4(CuO9)2 to be MgFe4(CuO4)2" +mp-2232109,MgFe4(CuO4)2,-7.044035298,-1.49388277,0.1950431497,0.1950431497,GGA+U,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_a2d_b_2c2h:Cu-Fe-Mg-O, expected MgFe7(CuO8)2 to be MgFe4(CuO4)2" +mp-2232690,MgFe4(CuO4)2,-6.9304802767,-1.3803277487,0.308598171,0.308598171,GGA+U,C2/m,A2B4CD8_mC30_12_ac_ei_b_2ij:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_bc_fi_a_4i2j:Cu-Fe-Mg-O, expected MgFe4(CuO8)2 to be MgFe4(CuO4)2" +mp-2232342,MgFe4(CuO4)2,-7.0128694227,-1.4627168947,0.226209025,0.226209025,GGA+U,C2/m,A2B4CD8_mC30_12_e_aci_b_2ij:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_e_aci_b_3i3j:Cu-Fe-Mg-O, expected MgFe4(CuO9)2 to be MgFe4(CuO4)2" +mp-2232223,MgFe4(CuO4)2,-7.018491096,-1.468338568,0.2205873517,0.2205873517,GGA+U,Imm2,A2B4CD8_oI30_44_ab_cd_a_2c2d:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_ab_cd_a_4c4d:Cu-Fe-Mg-O, expected MgFe4(CuO8)2 to be MgFe4(CuO4)2" +mp-2232510,MgFe4(CuO4)2,-6.7915889400000005,-1.241436412,0.4474895077,0.4474895077,GGA+U,Imm2,A2B4CD8_oI30_44_c_abd_a_2c2d:Cu-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_c_abd_a_3c3d:Cu-Fe-Mg-O, expected MgFe4(CuO6)2 to be MgFe4(CuO4)2" +mp-1041416,MgFe2(CuO4)2,-6.3813172142,-1.2803752527,0.1838653716,0.1838653716,GGA+U,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:Cu-Fe-Mg-O,52.0,"Invalid WP multiplicities - A2B2CD8_mP52_14_6e_5e_e_26e:Cu-Fe-Mg-O, expected MgFe5(Cu3O13)2 to be MgFe2(CuO4)2" +mp-510643,LaMg2Cu9,-3.9192325067,-0.1667802371,0.0,-0.0208999167,GGA,P6_3/mmc,A9BC2_hP24_194_abck_d_f:Cu-La-Mg,24.0,A9BC2_hP24_194_abck_d_f:Cu-La-Mg +mp-1037357,Mg30FeCuO32,-6.3412424183,-2.9213726036,0.0244981038,0.0244981038,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cu-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cu-Fe-Mg-O, expected Mg110FeCuO72 to be Mg30FeCuO32" +mp-1037298,Mg30FeCuO32,-6.3479245895,-2.9280547748,0.0178159325,0.0178159325,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cu-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cu-Fe-Mg-O, expected Mg90FeCuO80 to be Mg30FeCuO32" +mp-1035796,Mg14FeCuO16,-6.3693068162,-2.8030515675,0.0346495479,0.0346495479,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cu-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cu-Fe-Mg-O, expected Mg18FeCuO20 to be Mg14FeCuO16" +mp-1035757,Mg14FeCuO16,-6.3561421341,-2.7898868853,0.0478142301,0.0478142301,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cu-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cu-Fe-Mg-O, expected Mg30FeCuO32 to be Mg14FeCuO16" +mp-1043062,MgFe4(CuO4)3,-6.7581358995,-1.4012234277,0.0817332084,0.0817332084,GGA+U,Im-3,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Mg-O,20.0,A3B4CD12_cI40_204_b_c_a_g:Cu-Fe-Mg-O +mp-2231500,La4Mg(Cu2O5)2,-6.9582383553,-2.3683424467,0.3060958466,0.3060958466,GGA,P2/m,A4B4CD10_mP19_10_2m_2n_b_ac2m2n:Cu-La-Mg-O,19.0,A4B4CD10_mP19_10_2m_2n_b_ac2m2n:Cu-La-Mg-O +mp-2224223,MgFe2(CuO2)2,-6.4403622078,-1.2708632461,0.3691263772,0.3691263772,GGA+U,P3m1,A2B2CD4_hP9_156_ab_2c_a_2a2b:Cu-Fe-Mg-O,9.0,A2B2CD4_hP9_156_ab_2c_a_2a2b:Cu-Fe-Mg-O +mp-2227285,La2MgCuO4,-6.9205373687,-2.5007553969,0.6845712233,0.6845712233,GGA,I4mm,AB2CD4_tI16_107_a_2a_a_2b:Cu-La-Mg-O,8.0,AB2CD4_tI16_107_a_2a_a_2b:Cu-La-Mg-O +mp-2227558,La2MgCuO4,-6.8346362212,-2.4148542494000003,0.7704723708,0.7704723708,GGA,I-4m2,AB2CD4_tI16_119_a_e_c_ef:Cu-La-Mg-O,8.0,AB2CD4_oF32_22_a_e_c_ej:Cu-La-Mg-O +mp-2226434,La2MgCuO4,-6.702341115,-2.2825591431,0.902767477,0.902767477,GGA,I4/mmm,AB2CD4_tI16_139_a_e_b_ce:Cu-La-Mg-O,8.0,AB2CD4_tI16_139_a_e_b_ce:Cu-La-Mg-O +mp-2227867,La2MgCuO4,-6.8075934625,-2.3878114906,0.7975151295,0.7975151295,GGA,I4/mmm,AB2CD4_tI16_139_a_e_b_cd:Cu-La-Mg-O,8.0,AB2CD4_tI16_139_a_e_b_cd:Cu-La-Mg-O +mp-1022091,LaMg6Cu,-2.3167214719,0.0128902875,0.1262229557,0.1262229557,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cu-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cu-La-Mg, expected LaMg12Cu to be LaMg6Cu" +mp-1022112,LaMg6Cu,-2.303341855,0.0262699044,0.1396025726,0.1396025726,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cu-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cu-La-Mg, expected LaMg12Cu to be LaMg6Cu" +mp-2222917,MgFeCuO2,-6.11213934,-1.2995622695,0.514916064,0.514916064,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Cu-Fe-Mg-O +mp-2225320,MgFeCuO2,-6.07182386,-1.2592467895,0.5552315440000001,0.5552315440000001,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Cu-Fe-Mg-O +mp-1206944,LaMgCu,-3.7254035367,-0.1802389283,0.0,-9.29529e-05,GGA,P-62m,ABC_hP9_189_ad_f_g:Cu-La-Mg,9.0,ABC_hP9_189_ad_f_g:Cu-La-Mg +mp-1222046,MgFe4CuO8,-7.37954225,-1.7257507321,0.0732522989,0.0732522989,GGA+U,C2/m,AB4CD8_mC28_12_a_ei_c_2ij:Cu-Fe-Mg-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_c_ei_b_4i2j:Cu-Fe-Mg-O, expected MgFe4CuO16 to be MgFe4CuO8" +mp-1223206,La3Mn8BiO20,-8.4105766184,-2.4456263995,0.0633088235,0.0633088235,GGA+U,Pm,AB3C8D20_mP32_6_a_3a_4b2c_4a4b6c:Bi-La-Mn-O,32.0,"Invalid WP multiplicities - AB3C8D20_mP32_6_a_3a_4b4c_4a4b12c:Bi-La-Mn-O, expected La3Mn12BiO32 to be La3Mn8BiO20" +mp-1223162,LaFe5Bi4O15,-7.3518957664,-1.8779597527,0.0408434404,0.0408434404,GGA+U,P1,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O,50.0,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O +mp-1223688,LaFe5Bi4O15,-7.3336710124,-1.8597349986,0.0590681944,0.0590681944,GGA+U,P1,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O,50.0,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O +mp-1351794,LaFe5Bi4O15,-6.8862707198,-1.412334706,0.506468487,0.506468487,GGA+U,P1,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O,50.0,A4B5CD15_aP50_1_8a_10a_2a_30a:Bi-Fe-La-O +mp-1221875,MnFe3(BiO3)4,-7.1519727285,-1.6872577296,0.0393730952,0.0393730952,GGA+U,P1,A4B3CD12_aP20_1_4a_3a_a_12a:Bi-Fe-Mn-O,20.0,A4B3CD12_aP20_1_4a_3a_a_12a:Bi-Fe-Mn-O +mp-1222983,LaFe4(BiO4)3,-7.41814793,-1.9332567365,0.0439768307,0.0439768307,GGA+U,Pm,A3B4CD12_mP20_6_a2b_2c_a_2a2b4c:Bi-Fe-La-O,20.0,"Invalid WP multiplicities - A3B4CD12_mP20_6_a2b_4c_a_2a2b8c:Bi-Fe-La-O, expected LaFe8Bi3O20 to be LaFe4(BiO4)3" +mp-616515,MnFeBiO5,-7.4772498913,-1.7015037427,0.0601086931,0.0553494261,GGA+U,Pbam,ABCD5_oP32_55_g_e_h_fghi:Bi-Fe-Mn-O,32.0,"Invalid WP multiplicities - ABCD5_oP32_55_g_e_h_4f4g3h5i:Bi-Fe-Mn-O, expected MnFeBiO21 to be MnFeBiO5" +mp-1221879,MnFeBiO5,-7.5373585844,-1.7616124358,0.0,-0.004759267,GGA+U,Pbam,ABCD5_oP32_55_g_h_e_fghi:Bi-Fe-Mn-O,32.0,ABCD5_oP32_55_g_h_e_fghi:Bi-Fe-Mn-O +mp-1222893,LaMn2BiO6,-8.0927446715,-2.4146787628,0.1161281428,0.1161281428,GGA+U,Pmc2_1,ABC2D6_oP20_26_a_b_c_ab2c:Bi-La-Mn-O,20.0,"Invalid WP multiplicities - ABC2D6_oP20_26_a_b_c_ab3c:Bi-La-Mn-O, expected LaMn2BiO8 to be LaMn2BiO6" +mp-1223013,LaMnFe3(BiO4)3,-7.4694714445,-1.9499805469,0.1105293145,0.1105293145,GGA+U,Cm,A3B3CDE12_mC40_8_3a_3a_a_a_4a4b:Bi-Fe-La-Mn-O,20.0,"Invalid WP multiplicities - A3B3CDE12_mC40_8_3a_3a_a_a_4a8b:Bi-Fe-La-Mn-O, expected LaMnFe3Bi3O20 to be LaMnFe3(BiO4)3" +mp-1222178,MnFe4(BiO3)5,-7.1366446456,-1.6788495876,0.0394714116,0.0394714116,GGA+U,P1,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O,50.0,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O +mp-1222245,MnFe4(BiO3)5,-7.1225865544,-1.6647914964,0.0535295028,0.0535295028,GGA+U,P1,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O,50.0,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O +mp-1350284,MnFe4(BiO3)5,-6.7452445976,-1.2874495396,0.4308714596,0.4308714596,GGA+U,P1,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O,50.0,A5B4CD15_aP50_1_10a_8a_2a_30a:Bi-Fe-Mn-O +mp-1222927,LaMn8Bi3O20,-7.9729139003,-2.0764335548,0.0214610951,0.0214610951,GGA+U,Pm,A3BC8D20_mP32_6_3a_a_4b2c_4a4b6c:Bi-La-Mn-O,32.0,"Invalid WP multiplicities - A3BC8D20_mP32_6_3a_a_4b4c_4a4b12c:Bi-La-Mn-O, expected LaMn12Bi3O32 to be LaMn8Bi3O20" +mp-1222881,LaMn4(BiO4)3,-7.742320945,-2.1190309351,0.0700820893,0.0700820893,GGA+U,Pm,A3BC4D12_mP20_6_a2b_a_2c_2a2b4c:Bi-La-Mn-O,20.0,"Invalid WP multiplicities - A3BC4D12_mP20_6_a2b_a_4c_2a2b8c:Bi-La-Mn-O, expected LaMn8Bi3O20 to be LaMn4(BiO4)3" +mp-1044028,LaFeBiO6,-6.8968766511,-1.6828044608,0.3949542113,0.3949542113,GGA+U,Pc,ABCD6_mP18_7_a_a_a_6a:Bi-Fe-La-O,18.0,"Invalid WP multiplicities - ABCD6_mP18_7_a_a_a_10a:Bi-Fe-La-O, expected LaFeBiO10 to be LaFeBiO6" +mp-1032522,Mg6FeSiO8,-6.4353544725,-2.4934463956,0.4434080681,0.4434080681,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Si, expected Mg6FeSiO12 to be Mg6FeSiO8" +mp-1032523,Mg6FeSiO8,-6.4659102888,-2.5240022119,0.4128522519,0.4128522519,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Si, expected Mg6FeSiO12 to be Mg6FeSiO8" +mp-1222195,Mg3Fe(SiO4)2,-7.5402549607,-2.9906115957,0.0021331225,0.0021331225,GGA+U,P2_1/c,AB3C8D2_mP28_14_a_de_4e_e:Fe-Mg-O-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_14_a_de_6e_e:Fe-Mg-O-Si, expected Mg3Fe(SiO6)2 to be Mg3Fe(SiO4)2" +mp-1222201,Mg3Fe(SiO4)2,-7.5413041375,-2.9916607725,0.0010839457,0.0010839457,GGA+U,Pmc2_1,AB3C8D2_oP28_26_a_bc_2a2b2c_ab:Fe-Mg-O-Si,28.0,"Invalid WP multiplicities - AB3C8D2_oP28_26_a_bc_2a2b3c_ab:Fe-Mg-O-Si, expected Mg3Fe(SiO5)2 to be Mg3Fe(SiO4)2" +mp-1251416,MgFeSiO5,-7.4444988725,-2.4158660167,0.140428917,0.140428917,GGA+U,Cc,ABC5D_mC32_9_a_a_5a_a:Fe-Mg-O-Si,16.0,ABC5D_mC32_15_a_e_e2f_e:Fe-Mg-O-Si +mp-1046688,MgFeSiO5,-7.4417346481,-2.4131017923,0.1431931413,0.1431931413,GGA+U,C2/c,ABC5D_mC32_15_a_e_e2f_e:Fe-Mg-O-Si,16.0,ABC5D_mC32_15_c_e_e2f_e:Fe-Mg-O-Si +mp-1094131,Mg7Fe(SiO4)4,-7.4104092639,-3.1061137975,0.0014977777,0.0014977777,GGA+U,P-1,AB7C16D4_aP28_2_a_cfh2i_8i_2i:Fe-Mg-O-Si,28.0,"Invalid WP multiplicities - AB7C16D4_aP28_2_a_cfh2i_14i_3i:Fe-Mg-O-Si, expected Mg7Fe(Si3O14)2 to be Mg7Fe(SiO4)4" +mp-1222202,MgFe(SiO2)2,-7.1850860206,-2.0966245,0.6064791416,0.6064791416,GGA+U,Pmc2_1,ABC4D2_oP16_26_a_b_2a2b_ab:Fe-Mg-O-Si,16.0,ABC4D2_oP16_26_a_b_2a2b_ab:Fe-Mg-O-Si +mp-1037606,Mg30FeSiO32,-6.3613297095,-2.9207394048,0.1040044356,0.1040044356,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Si, expected Mg110FeSiO72 to be Mg30FeSiO32" +mp-1037676,Mg30FeSiO32,-6.3601938341,-2.9196035294,0.1051403111,0.1051403111,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Si, expected Mg90FeSiO80 to be Mg30FeSiO32" +mp-1333616,Fe13Si2(SbO14)2,-7.5716398302,-1.6221687594,0.3262146862,0.3262146862,GGA+U,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Fe-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Fe-O-Sb-Si, expected Fe25Si2(SbO26)2 to be Fe13Si2(SbO14)2" +mp-1251404,Fe13Si2(SbO14)2,-7.6196963451,-1.6702252743,0.2781581713,0.2781581713,GGA+U,P-1,A13B28C2D2_aP45_2_a6i_14i_i_i:Fe-O-Sb-Si,45.0,"Invalid WP multiplicities - A13B28C2D2_aP45_2_a12i_26i_i_i:Fe-O-Sb-Si, expected Fe25Si2(SbO26)2 to be Fe13Si2(SbO14)2" +mp-1249986,Mg3Si4(SbO7)2,-7.2585342115,-2.7361969634000003,0.1841652801,0.1841652801,GGA,C2/c,A3B14C2D4_mC92_15_ef_7f_ae_2f:Mg-O-Sb-Si,46.0,"Invalid WP multiplicities - A3B14C2D4_mC92_15_2e2f_27f_ae_5f:Mg-O-Sb-Si, expected Mg3Si5SbO27 to be Mg3Si4(SbO7)2" +mp-1263953,Mg3Fe2(Si2O7)2,-7.7092245274,-2.8094072818,0.0986595813,0.0986595813,GGA+U,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Fe-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Fe-Mg-O-Si, expected Mg3FeSi5O27 to be Mg3Fe2(Si2O7)2" +mp-1035599,Mg14FeSiO16,-6.3828825628,-2.7751863341,0.2202610475,0.2202610475,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Si, expected Mg18FeSiO20 to be Mg14FeSiO16" +mp-1035561,Mg14FeSiO16,-6.3935475347,-2.7858513059,0.2095960756,0.2095960756,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Si, expected Mg30FeSiO32 to be Mg14FeSiO16" +mp-6551,Mg3Fe2(SiO4)3,-7.6563989539,-2.7875438941,0.0665281851,0.0665281851,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Fe-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Fe-Mg-O-Si +mp-1043548,MgFe(Si2O5)2,-8.0614932692,-2.9840894884,0.0629958761,0.0629958761,GGA+U,P4/ncc,ABC10D4_tP64_130_c_b_f2g_g:Fe-Mg-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_c_b_f5g_g:Fe-Mg-O-Si, expected MgFe(Si2O11)2 to be MgFe(Si2O5)2" +mp-1026698,Mg14SiSb,-2.0038530812,-0.0064630831,0.1023992018,0.1023992018,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Si, expected Mg18SiSb to be Mg14SiSb" +mp-1026689,Mg14SiSb,-2.0109576788,-0.0135676806,0.0952946043,0.0952946043,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Si, expected Mg26SiSb to be Mg14SiSb" +mp-1255353,MgFe2(SiO3)4,-7.9990247782,-2.7568216663,0.0922459703,0.0922459703,GGA+U,Pca2_1,A2BC12D4_oP76_29_2a_a_12a_4a:Fe-Mg-O-Si,76.0,"Invalid WP multiplicities - A2BC12D4_oP76_29_5a_a_45a_12a:Fe-Mg-O-Si, expected MgFe5(Si4O15)3 to be MgFe2(SiO3)4" +mp-1192819,MgFeSiO4,-7.8033501664,-2.7630110043,0.0,-0.0007296296,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Mg-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Fe-Mg-O-Si +mp-1192825,MgFeSiO4,-7.8002926836,-2.7599535214,0.0030574829,0.0023278532,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Fe-Mg-O-Si,28.0,ABC4D_oP28_62_a_c_2cd_c:Fe-Mg-O-Si +mp-1078680,MgSiSb2,-3.95590356,-0.13500342,0.0509321293,0.0509321293,GGA,I-42d,AB2C_tI16_122_a_d_b:Mg-Sb-Si,8.0,AB2C_tI16_122_a_d_b:Mg-Sb-Si +mp-1163940,Mg3Si3(SbO6)2,-7.037737903,-2.6029848402,0.2652269264,0.2652269264,GGA,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Mg-O-Sb-Si,80.0,A3B12C2D3_cI160_230_c_h_a_d:Mg-O-Sb-Si +mp-2226934,MgFe2Si2SbO9,-7.493404694,-2.2907274826,0.2375527632,0.2375527632,GGA+U,P1,A2BC9DE2_aP15_1_2a_a_9a_a_2a:Fe-Mg-O-Sb-Si,15.0,A2BC9DE2_aP15_1_2a_a_9a_a_2a:Fe-Mg-O-Sb-Si +mp-2242239,MgFe2Si2SbO9,-7.6437652347,-2.4410880233,0.0871922225,0.0871922225,GGA+U,P1,A2BC9DE2_aP15_1_2a_a_9a_a_2a:Fe-Mg-O-Sb-Si,15.0,A2BC9DE2_aP15_1_2a_a_9a_a_2a:Fe-Mg-O-Sb-Si +mp-1017349,Mg6SiSb,-2.4230999063,-0.02859996,0.1662667962,0.1662667962,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Si, expected Mg12SiSb to be Mg6SiSb" +mp-1017352,Mg6SiSb,-2.3947210994,-0.0002211531,0.1946456031,0.1946456031,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Si, expected Mg12SiSb to be Mg6SiSb" +mp-1249492,Mg2Fe2(SiO4)3,-7.53113647,-2.4902511466,0.178423338,0.178423338,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_c_e_3g_ae:Fe-Mg-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_c_e_37g_4a3e:Fe-Mg-O-Si, expected MgFeSi5O74 to be Mg2Fe2(SiO4)3" +mp-2214947,Fe2Si2SbO9,-7.7253471564,-2.2653558621,0.1540843641,0.1540843641,GGA+U,P1,A2B9CD2_aP14_1_2a_9a_a_2a:Fe-O-Sb-Si,14.0,A2B9CD2_aP14_1_2a_9a_a_2a:Fe-O-Sb-Si +mp-1103957,Fe2Si2SbO9,-7.7254855829,-2.2654942885,0.1539459377,0.1539459377,GGA+U,Cm,A2B9CD2_mC28_8_b_3a3b_a_b:Fe-O-Sb-Si,14.0,A2B9CD2_mC28_8_b_3a3b_a_b:Fe-O-Sb-Si +mp-1154479,MgFe(SiO3)2,-7.945566324,-2.8854593653,0.0290579645,0.0290579645,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Fe-Mg-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Fe-Mg-O-Si +mp-1221967,MgFe(SiO3)2,-7.716336871,-2.6562299123,0.2582874175,0.2582874175,GGA+U,Amm2,ABC6D2_oC20_38_a_b_ab2c_c:Fe-Mg-O-Si,10.0,"Invalid WP multiplicities - ABC6D2_oC20_38_a_b_ab4c_c:Fe-Mg-O-Si, expected MgFe(SiO5)2 to be MgFe(SiO3)2" +mp-558339,MgFe(SiO3)2,-7.9737719721,-2.9136650134,0.0008523164,0.0008523164,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Mg-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Fe-Mg-O-Si, expected MgFeSi8O41 to be MgFe(SiO3)2" +mp-1196844,MgFe(SiO3)2,-7.9538737376,-2.8937667789,0.0207505509,0.0207505509,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Fe-Mg-O-Si,80.0,ABC6D2_oP80_61_c_c_6c_2c:Fe-Mg-O-Si +mp-1222243,Mg2Fe5(SiO3)8,-8.0990890118,-2.7741213333,0.0259107766,0.0259107766,GGA+U,C2,A5B2C24D8_mC78_5_a4b_2a_12c_4c:Fe-Mg-O-Si,39.0,"Invalid WP multiplicities - A5B2C24D8_mC78_5_a4b_2a_17c_6c:Fe-Mg-O-Si, expected Mg2Fe5(Si6O17)2 to be Mg2Fe5(SiO3)8" +mp-12832,Ba3CaRu2O9,-7.1849127967,-2.4628109179,0.0155276823,-0.0787625825,GGA,P-3m1,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Ca-O-Ru,15.0,A3BC9D2_hP15_164_ad_b_ei_d:Ba-Ca-O-Ru +mp-541485,Ba3CaRu2O9,-7.2000622157,-2.4779603369,0.0003782633,-0.0939120015,GGA,P-62c,A3BC9D2_hP30_190_bf_a_hi_f:Ba-Ca-O-Ru,30.0,A3BC9D2_hP30_190_bf_a_hi_f:Ba-Ca-O-Ru +mp-6443,Ba3CaRu2O9,-7.200440479,-2.4783386002,0.0,-0.0942902648,GGA,P6_3/mmc,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ca-O-Ru,30.0,A3BC9D2_hP30_194_bf_a_hk_f:Ba-Ca-O-Ru +mp-20841,Ba2CaIrO6,-6.974334923,-2.5381233023,0.0,-0.0964043263,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Ir-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ca-Ir-O +mp-631512,BaCaRu2,-4.7788184675,0.8395265075,0.8395265075,0.8395265075,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ba-Ca-Ru,4.0,ABC2_cF16_216_a_c_bd:Ba-Ca-Ru +mp-1228306,Ba6Ca2Ir3RuO18,-7.0864101667,-2.4079051239,0.0,-0.0029231807,GGA,P3m1,A6B2C3D18E_hP30_156_2a2b2c_2b_a2c_6d_a:Ba-Ca-Ir-O-Ru,30.0,A6B2C3D18E_hP30_156_2a2b2c_2b_a2c_6d_a:Ba-Ca-Ir-O-Ru +mp-17448,Ba3CaIr2O9,-7.0445024883,-2.3805297243,0.0,-0.0138212578,GGA,C2/c,A3BC2D9_mC60_15_ef_a_f_e4f:Ba-Ca-Ir-O,30.0,"Invalid WP multiplicities - A3BC2D9_mC60_15_e2f_c_f_e4f:Ba-Ca-Ir-O, expected Ba5CaIr2O9 to be Ba3CaIr2O9" +mp-13369,Ba3CaIr2O9,-7.0247076947,-2.3607349306,0.0197947937,0.0059735359,GGA,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Ca-Ir-O,15.0,"Invalid WP multiplicities - A3BC2D9_hP15_164_a2d_b_d_ei:Ba-Ca-Ir-O, expected Ba5CaIr2O9 to be Ba3CaIr2O9" +mp-566287,Ba2Eu2ZnPtO8,-7.58120847,-2.4914698914,0.0086516352,0.0086516352,GGA,Pnma,A2B2C8DE_oP56_62_2c_2c_2c3d_c_c:Ba-Eu-O-Pt-Zn,56.0,"Invalid WP multiplicities - A2B2C8DE_oP56_62_7c_4c_8c21d_c_c:Ba-Eu-O-Pt-Zn, expected Ba7Eu4ZnPtO50 to be Ba2Eu2ZnPtO8" +mp-1212992,Eu2ZnPtO6,-8.004871724,-2.2523704443,0.0520112757,0.0520112757,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Eu-O-Pt-Zn,20.0,A2B6CD_mP20_14_e_3e_a_b:Eu-O-Pt-Zn +mp-1188181,BaEu2PtO5,-8.576574845,-2.6612909099,0.0,-0.0252561464,GGA,P4/mbm,AB2C5D_tP18_127_b_g_ak_c:Ba-Eu-O-Pt,18.0,AB2C5D_tP18_127_b_g_ak_c:Ba-Eu-O-Pt +mp-560660,Ba4Eu4Zn3PtO15,-7.4874381059,-2.570601003,0.0184701504,0.0184701504,GGA,P6_3mc,A4B4C15DE3_hP54_186_bc_ac_3cd_b_c:Ba-Eu-O-Pt-Zn,54.0,"Invalid WP multiplicities - A4B4C15DE3_hP54_186_2b2c_2a3c_17c6d_b_c:Ba-Eu-O-Pt-Zn, expected Ba8Eu11Zn3PtO87 to be Ba4Eu4Zn3PtO15" +mp-676932,SrLiEuTeO6,-7.2019705815,-2.5340849534,0.0174092758,0.0174092758,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Eu-Li-O-Sr-Te,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Eu-Li-O-Sr-Te, expected SrLiEuTeO12 to be SrLiEuTeO6" +mp-1211152,Li3Eu3(TeO6)2,-7.5593609947,-2.4521284787,0.0,-0.0993832752,GGA,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Eu-Li-O-Te,80.0,A3B3C12D2_cI160_230_c_d_h_a:Eu-Li-O-Te +mp-1218294,SrEuTe2,-6.23956482,-1.68128806,0.25043506,0.25043506,GGA,P4/mmm,ABC2_tP4_123_a_b_h:Eu-Sr-Te,4.0,ABC2_tP4_123_a_b_h:Eu-Sr-Te +mp-1218275,SrEuTe2,-6.4821497025,-1.9238729425,0.0078501775,0.0078501775,GGA,R-3m,ABC2_hR12_166_a_b_c:Eu-Sr-Te,4.0,ABC2_hR12_166_a_b_c:Eu-Sr-Te +mp-1220239,Rb3AgGe4(Se5O)2,-4.240038918,-0.7841008260000001,0.2360475031,0.2360475031,GGA,P1,AB4C2D3E10_aP20_1_a_4a_2a_3a_10a:Ag-Ge-O-Rb-Se,20.0,AB4C2D3E10_aP20_1_a_4a_2a_3a_10a:Ag-Ge-O-Rb-Se +mp-1232058,Nd2MgSe4,-5.3406708607,-1.7520678856,0.2195102291,0.2195102291,GGA,P-1,AB2C4_aP28_2_2i_4i_8i:Mg-Nd-Se,28.0,AB2C4_aP28_2_2i_4i_8i:Mg-Nd-Se +mp-1232049,Nd2MgSe4,-5.5230482436,-1.9344452685,0.0371328463,0.0371328463,GGA,Pca2_1,AB2C4_oP56_29_2a_4a_8a:Mg-Nd-Se,56.0,AB2C4_oP56_29_2a_4a_8a:Mg-Nd-Se +mp-1232051,Nd2MgSe4,-5.5189331546,-1.9303301796,0.0412479352,0.0412479352,GGA,Pnma,AB2C4_oP28_62_c_ac_2cd:Mg-Nd-Se,28.0,AB2C4_oP28_62_c_ac_2cd:Mg-Nd-Se +mp-1232052,Nd2MgSe4,-5.4695177814,-1.8809148063,0.0906633084,0.0906633084,GGA,Pnma,AB2C4_oP28_62_c_2c_4c:Mg-Nd-Se,28.0,AB2C4_oP28_62_c_2c_4c:Mg-Nd-Se +mp-1232100,Nd2MgSe4,-5.3625640789,-1.7739611038,0.1976170109,0.1976170109,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mg-Nd-Se,28.0,AB2C4_oP28_62_c_2c_2cd:Mg-Nd-Se +mp-1232048,Nd2MgSe4,-5.4898148993,-1.9012119242,0.0703661905,0.0703661905,GGA,I-42d,AB2C4_tI28_122_a_d_e:Mg-Nd-Se,14.0,AB2C4_tI28_122_a_d_e:Mg-Nd-Se +mp-1232055,Nd2MgSe4,-5.5090318836000005,-1.9204289085,0.0511492063,0.0511492063,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Mg-Nd-Se,14.0,AB2C4_cF56_227_a_d_e:Mg-Nd-Se +mp-1232282,NdMgSe3,-4.750148151,-1.3789157679,0.3806637315,0.3806637315,GGA,C2/m,ABC3_mC20_12_g_i_ij:Mg-Nd-Se,10.0,ABC3_mC20_12_g_i_ij:Mg-Nd-Se +mp-1232357,NdMgSe3,-4.844966532,-1.4737341489,0.2858453505,0.2858453505,GGA,R-3,ABC3_hR30_148_c_c_f:Mg-Nd-Se,30.0,ABC3_hR30_148_c_c_f:Mg-Nd-Se +mp-1520921,BaTbEuSbO6,-8.11628696,-3.0543393252,0.0241127122,0.0241127122,GGA,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Sb-Tb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Sb-Tb, expected BaTbEuSbO12 to be BaTbEuSbO6" +mp-1520750,BaTbEuSbO6,-8.1098282202,-3.0478805855,0.030571452,0.030571452,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Eu-O-Sb-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Eu-O-Sb-Tb, expected BaTbEu2SbO12 to be BaTbEuSbO6" +mp-1520935,BaTbEuSbO6,-8.094288968,-3.0323413332,0.0461107042,0.0461107042,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Tb +mp-1518931,TbEu2SbO6,-8.9241394792,-3.0283891585,0.0433993592,0.0433993592,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Sb-Tb,,A2B6CD_cP40_201_ad_h_b_c:Eu-O-Sb-Tb +mp-1518951,TbEu2SbO6,-8.882696152,-2.9869458312,0.0848426864,0.0848426864,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Tb,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Tb +mp-1173255,Sr2NdTa(CuO4)2,-7.6182577,-2.7770552001,0.0058102491,0.0058102491,GGA,C2/m,A2BC8D2E_mC56_12_j_i_g3i2j_2i_e:Cu-Nd-O-Sr-Ta,28.0,"Invalid WP multiplicities - A2BC8D2E_mC56_12_j_i_2g6i7j_3i_f:Cu-Nd-O-Sr-Ta, expected Sr3NdTa(CuO11)2 to be Sr2NdTa(CuO4)2" +mp-1208772,Sr2NdTa(CuO4)2,-7.6029336807,-2.7617311808,0.0211342684,0.0211342684,GGA,P4/mmm,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Nd-O-Sr-Ta,14.0,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Nd-O-Sr-Ta +mp-1519269,BaSrNdBiO6,-6.958846266,-2.7691225437,0.0114431335,0.0114431335,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Bi-Nd-O-Sr,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Bi-Nd-O-Sr, expected BaSrNdBiO12 to be BaSrNdBiO6" +mp-1519376,BaSrNdBiO6,-6.947199714,-2.7574759917,0.0230896855,0.0230896855,GGA,P222,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Nd-O-Sr,40.0,ABCD6E_oP40_16_abch_u_u_6u_defg:Ba-Bi-Nd-O-Sr +mp-1519400,BaSrNdBiO6,-6.889664698,-2.6999409757,0.0806247015,0.0806247015,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Bi-Nd-O-Sr +mp-628643,CuAsPbS3,-4.7039061442,-0.5571858532,0.0,-0.0049505081,GGA,Pmn2_1,ABCD3_oP24_31_2a_b_2a_2a2b:As-Cu-Pb-S,24.0,"Invalid WP multiplicities - ABCD3_oP24_31_3a_b_2a_3a4b:As-Cu-Pb-S, expected Cu2As3Pb2S11 to be CuAsPbS3" +mp-1208124,TlCuAs2PbS5,-4.544816968,-0.5273186649,0.0136963472,0.0136963472,GGA,P-1,A2BCD5E_aP20_2_2i_i_i_5i_i:As-Cu-Pb-S-Tl,20.0,A2BCD5E_aP20_2_2i_i_i_5i_i:As-Cu-Pb-S-Tl +mp-1101021,Tl3Cu4As8Pb3S20,-4.5198232337,-0.4507537098,0.0684037301,0.0684037301,GGA,P1,A8B4C3D20E3_aP38_1_8a_4a_3a_20a_3a:As-Cu-Pb-S-Tl,38.0,A8B4C3D20E3_aP38_1_8a_4a_3a_20a_3a:As-Cu-Pb-S-Tl +mp-1178098,Li10Cr2Fe3Co3O16,-6.6924391715,-1.8607521126,0.1222099865,0.1222099865,GGA+U,P1,A3B2C3D10E16_aP34_1_3a_2a_3a_10a_16a:Co-Cr-Fe-Li-O,34.0,A3B2C3D10E16_aP34_1_3a_2a_3a_10a_16a:Co-Cr-Fe-Li-O +mp-774310,Li10Cr2Fe3Co3O16,-6.7139078174,-1.8822207585,0.1007413406,0.1007413406,GGA+U,Cm,A3B2C3D10E16_mC68_8_ab_2a_ab_6a2b_8a4b:Co-Cr-Fe-Li-O,34.0,"Invalid WP multiplicities - A3B2C3D10E16_mC68_8_a2b_2a_ab_6a2b_8a7b:Co-Cr-Fe-Li-O, expected Li10Cr2Fe3Co5O22 to be Li10Cr2Fe3Co3O16" +mp-770828,Li3Cr4FeO8,-7.9469116375,-2.1730060512,0.111056203,0.111056203,GGA+U,C2/m,A4BC3D8_mC32_12_ade_b_cf_2ij:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - A4BC3D8_mC32_12_ace_d_b2f_3i2j:Cr-Fe-Li-O, expected Li5Cr4FeO14 to be Li3Cr4FeO8" +mp-755327,LiCr3(FeO4)2,-8.3663866864,-2.1248425874,0.0189475107,0.0189475107,GGA+U,R3m,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Fe-Li-O,14.0,A3B2CD8_hR42_160_b_2a_a_2a2b:Cr-Fe-Li-O +mp-771065,Li4CrFe3O8,-7.1993150134,-2.0572954974,0.0043976727,0.0043976727,GGA+U,P-1,AB3C4D8_aP32_2_i_ac2i_4i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_ac4i_6i_13i:Cr-Fe-Li-O, expected Li6CrFe5O13 to be Li4CrFe3O8" +mp-803497,Li4CrFe3O8,-6.0988524525,-0.9568329365,1.1048602336,1.1048602336,GGA+U,P-1,AB3C4D8_aP32_2_i_ac2i_4i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_ac4i_6i_13i:Cr-Fe-Li-O, expected Li6CrFe5O13 to be Li4CrFe3O8" +mp-771082,Li4CrFe3O8,-7.1998054541,-2.057785938,0.0039072321,0.0039072321,GGA+U,P-1,AB3C4D8_aP32_2_i_bc2i_4i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_bc3i_7i_16i:Cr-Fe-Li-O, expected Li7Cr(FeO4)4 to be Li4CrFe3O8" +mp-768701,Li4CrFe3O8,-7.199909765,-2.057890249,0.0038029211,0.0038029211,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_bc3i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_bc6i_16i:Cr-Fe-Li-O, expected Li7CrFe5O16 to be Li4CrFe3O8" +mp-768874,Li4CrFe3O8,-7.1996588909,-2.0576393749,0.0040537952,0.0040537952,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_bc6i_16i:Cr-Fe-Li-O, expected Li7Cr(Fe3O8)2 to be Li4CrFe3O8" +mp-803131,Li4CrFe3O8,-6.0877966919,-0.9457771758,1.1159159943,1.1159159943,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_ac3i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_6i_ac6i_16i:Cr-Fe-Li-O, expected Li7Cr(Fe3O8)2 to be Li4CrFe3O8" +mp-768657,Li4CrFe3O8,-7.1994260056,-2.0574064896,0.0042866805,0.0042866805,GGA+U,P-1,AB3C4D8_aP16_2_a_bi_2i_4i:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_aP16_2_a_b2i_3i_6i:Cr-Fe-Li-O, expected Li6CrFe5O12 to be Li4CrFe3O8" +mp-768692,Li4CrFe3O8,-7.1997040728,-2.0576845568,0.0040086133,0.0040086133,GGA+U,P-1,AB3C4D8_aP32_2_i_3i_abcg2i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - AB3C4D8_aP32_2_i_5i_abcg4i_16i:Cr-Fe-Li-O, expected Li6CrFe5O16 to be Li4CrFe3O8" +mp-754088,Li4CrFe3O8,-7.1990936288,-2.0570741127,0.0046190574,0.0046190574,GGA+U,C2/m,AB3C4D8_mC32_12_a_be_hi_2ij:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_bf_hi_4i3j:Cr-Fe-Li-O, expected Li4CrFe3O20 to be Li4CrFe3O8" +mp-755815,Li4CrFe3O8,-7.1993374238,-2.0573179077,0.0043752624,0.0043752624,GGA+U,P2/m,AB3C4D8_mP16_10_a_bj_ghk_mno:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mP16_10_a_bj_cfl_m2n3o:Cr-Fe-Li-O, expected Li4Cr(FeO6)3 to be Li4CrFe3O8" +mp-755320,Li4CrFe3O8,-7.1994267225,-2.0574072065,0.0042859636,0.0042859636,GGA+U,C2/m,AB3C4D8_mC32_12_a_bh_ei_2ij:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_bh_fi_4i3j:Cr-Fe-Li-O, expected Li4CrFe3O20 to be Li4CrFe3O8" +mp-759919,Li4CrFe3O8,-7.1988601869,-2.0568406708,0.0048524993,0.0048524993,GGA+U,R-3m,AB3C4D8_hR48_166_a_e_bd_ch:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB3C4D8_hR48_166_a_e_b2d_2c2h:Cr-Fe-Li-O, expected Li7CrFe3O16 to be Li4CrFe3O8" +mp-1177772,Li3Cr2Fe3O10,-7.4876686844,-1.9371234465,0.0951323077,0.0951323077,GGA+U,P-1,A2B3C3D10_aP18_2_i_bi_ei_5i:Cr-Fe-Li-O,18.0,"Invalid WP multiplicities - A2B3C3D10_aP18_2_i_bi_e2i_9i:Cr-Fe-Li-O, expected Li5Cr2(FeO6)3 to be Li3Cr2Fe3O10" +mp-754600,LiCrFeO4,-7.6710897279,-1.9826973862,0.0643182667,0.0643182667,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h3i:Cr-Fe-Li-O, expected LiCrFeO10 to be LiCrFeO4" +mp-754281,LiCrFeO4,-7.6403082014,-1.9519158598,0.0950997932,0.0950997932,GGA+U,P4_322,ABCD4_tP28_95_a_c_b_2d:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_a_c_b_3d:Cr-Fe-Li-O, expected LiCrFeO6 to be LiCrFeO4" +mp-756845,Li4Cr5FeO12,-7.7702058105,-2.146059694,0.1076232234,0.1076232234,GGA+U,C2/m,A5BC4D12_mC44_12_agh_d_j_2i2j:Cr-Fe-Li-O,22.0,"Invalid WP multiplicities - A5BC4D12_mC44_12_a2gh_c_j_4i5j:Cr-Fe-Li-O, expected Li4Cr7FeO28 to be Li4Cr5FeO12" +mp-771093,Li3Cr10Fe5O24,-8.4407510524,-2.1710396614,0.0120061757,0.0120061757,GGA+U,Cm,A10B5C3D24_mC84_8_4a3b_5a_3a_12a6b:Cr-Fe-Li-O,42.0,"Invalid WP multiplicities - A10B5C3D24_mC84_8_4a4b_5a_3a_12a8b:Cr-Fe-Li-O, expected Li3Cr12Fe5O28 to be Li3Cr10Fe5O24" +mp-765750,Li5Cr2Fe3O10,-7.2781798415,-2.0917968407,0.0395684947,0.0395684947,GGA+U,P-1,A2B3C5D10_aP20_2_i_bi_e2i_5i:Cr-Fe-Li-O,20.0,"Invalid WP multiplicities - A2B3C5D10_aP20_2_i_bi_e4i_9i:Cr-Fe-Li-O, expected Li9Cr2(FeO6)3 to be Li5Cr2Fe3O10" +mp-754939,Li3CrFe3O8,-7.291702800699999,-1.934143508,0.063488615,0.063488615,GGA+U,P-1,AB3C3D8_aP30_2_i_3i_bc2i_8i:Cr-Fe-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_aP30_2_i_5i_bc4i_15i:Cr-Fe-Li-O, expected Li5Cr(FeO3)5 to be Li3CrFe3O8" +mp-760295,Li3CrFe3O8,-7.2118110123,-1.8542517197,0.1433804034,0.1433804034,GGA+U,Cmc2_1,AB3C3D8_oC60_36_a_ab_ab_4a2b:Cr-Fe-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_186_b_c_c_a2b11c:Cr-Fe-Li-O, expected Li3Cr(FeO12)3 to be Li3CrFe3O8" +mp-754773,Li3CrFe3O8,-7.2795824593,-1.9220231667,0.0756089564,0.0756089564,GGA+U,R-3m,AB3C3D8_hR45_166_a_e_d_ch:Cr-Fe-Li-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_e_d_2c2h:Cr-Fe-Li-O, expected Li3CrFe3O16 to be Li3CrFe3O8" +mp-763933,Li3CrFe3O8,-7.276358285,-1.9187989923,0.0788331307,0.0788331307,GGA+U,P6_3mc,AB3C3D8_hP30_186_b_c_c_ab2c:Cr-Fe-Li-O,30.0,"Invalid WP multiplicities - AB3C3D8_hP30_186_b_c_c_a2b11c:Cr-Fe-Li-O, expected Li3Cr(FeO12)3 to be Li3CrFe3O8" +mp-763763,Li4Cr3Fe2Co3O16,-7.2999512671,-1.7997066578,0.0874305586,0.0874305586,GGA+U,P1,A3B3C2D4E16_aP28_1_3a_3a_2a_4a_16a:Co-Cr-Fe-Li-O,28.0,A3B3C2D4E16_aP28_1_3a_3a_2a_4a_16a:Co-Cr-Fe-Li-O +mp-752808,Li4Cr3Fe2Co3O16,-7.30908582,-1.8088412107,0.0782960057,0.0782960057,GGA+U,Cm,A3B3C2D4E16_mC56_8_ab_ab_2a_4a_8a4b:Co-Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B3C2D4E16_mC56_8_ab_ab_2a_4a_8a6b:Co-Cr-Fe-Li-O, expected Li4Cr3Fe2Co3O20 to be Li4Cr3Fe2Co3O16" +mp-756692,Li3Cr(FeO3)2,-7.2622934425,-2.095627546,0.0047723826,0.0047723826,GGA+U,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Cr-Fe-Li-O,12.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_di_5i:Cr-Fe-Li-O, expected Li3Cr(FeO5)2 to be Li3Cr(FeO3)2" +mp-782636,Li2Cr2FeO6,-7.657078363,-2.0867061675,0.0920339754,0.0920339754,GGA+U,P-1,A2BC2D6_aP33_2_3i_ai_3i_9i:Cr-Fe-Li-O,33.0,"Invalid WP multiplicities - A2BC2D6_aP33_2_6i_ai_3i_18i:Cr-Fe-Li-O, expected Li2Cr4FeO12 to be Li2Cr2FeO6" +mp-754946,Li2Cr2FeO6,-7.6100929727,-2.0397207772,0.1390193657,0.1390193657,GGA+U,Cmce,A2BC2D6_oC44_64_d_a_e_fg:Cr-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oC44_64_d_a_e_2f3g:Cr-Fe-Li-O, expected Li2Cr2FeO16 to be Li2Cr2FeO6" +mp-768894,Li4Cr3FeO8,-7.5594497247,-2.2695519261,0.0243022853,0.0239837968,GGA+U,P1,A3BC4D8_aP32_1_6a_2a_8a_16a:Cr-Fe-Li-O,32.0,A3BC4D8_aP32_1_6a_2a_8a_16a:Cr-Fe-Li-O +mp-755153,Li4Cr3FeO8,-7.5836878231,-2.2937900246,6.418690000000001e-05,-0.0002543017,GGA+U,P-1,A3BC4D8_aP16_2_ai_b_2i_4i:Cr-Fe-Li-O,16.0,A3BC4D8_aP16_2_ai_b_2i_4i:Cr-Fe-Li-O +mp-768703,Li4Cr3FeO8,-7.5642846875,-2.274386889,0.0194673225,0.019148834,GGA+U,P-1,A3BC4D8_aP32_2_bc2i_i_4i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_bc4i_i_7i_13i:Cr-Fe-Li-O, expected Li7Cr5FeO13 to be Li4Cr3FeO8" +mp-768687,Li4Cr3FeO8,-7.5663882091,-2.2764904105,0.0173638009,0.0170453124,GGA+U,P-1,A3BC4D8_aP32_2_ac2i_i_4i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_ac4i_i_8i_13i:Cr-Fe-Li-O, expected Li8Cr5FeO13 to be Li4Cr3FeO8" +mp-768704,Li4Cr3FeO8,-7.5642248128,-2.2743270143,0.0195271972,0.0192087086,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_bc3i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_5i_i_bc5i_16i:Cr-Fe-Li-O, expected Li6Cr5FeO16 to be Li4Cr3FeO8" +mp-768805,Li4Cr3FeO8,-7.5650619287,-2.2751641302,0.0186900812,0.0183715927,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_abcg2i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_5i_i_abcg4i_16i:Cr-Fe-Li-O, expected Li6Cr5FeO16 to be Li4Cr3FeO8" +mp-770328,Li4Cr3FeO8,-7.5767573153,-2.2868595168,0.0069946947,0.0066762061,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_ac3i_8i:Cr-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC4D8_aP32_2_6i_i_ac4i_16i:Cr-Fe-Li-O, expected Li5Cr6FeO16 to be Li4Cr3FeO8" +mp-754241,Li4Cr3FeO8,-7.5835131281,-2.2936153296,0.0002388819,-7.96067e-05,GGA+U,P2/m,A3BC4D8_mP16_10_aj_b_ghk_mno:Cr-Fe-Li-O,16.0,A3BC4D8_mP16_10_aj_b_cfl_mno:Cr-Fe-Li-O +mp-755721,Li4Cr3FeO8,-7.583752009999999,-2.2938542115,0.0,-0.0003184885,GGA+U,C2/m,A3BC4D8_mC32_12_ah_b_ei_2ij:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_mC32_12_a2h_b_ei_2ij:Cr-Fe-Li-O, expected Li4Cr5FeO8 to be Li4Cr3FeO8" +mp-1177503,Li4Cr3FeO8,-7.5830946744,-2.2931968758,0.0006573356,0.0003388471,GGA+U,C2/m,A3BC4D8_mC32_12_ae_b_hi_2ij:Cr-Fe-Li-O,16.0,A3BC4D8_mC32_12_af_b_hi_2ij:Cr-Fe-Li-O +mp-759199,Li4Cr3FeO8,-7.5659727881,-2.2760749896,0.0177792219,0.0174607333,GGA+U,R-3m,A3BC4D8_hR48_166_d_b_ae_ch:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC4D8_hR48_166_d_b_ae_2ch:Cr-Fe-Li-O, expected Li4Cr3FeO10 to be Li4Cr3FeO8" +mp-780315,Li4Cr2Fe3O10,-7.3752663058,-2.0163854032,0.0680723774,0.0680723774,GGA+U,P1,A2B3C4D10_aP19_1_2a_3a_4a_10a:Cr-Fe-Li-O,19.0,A2B3C4D10_aP19_1_2a_3a_4a_10a:Cr-Fe-Li-O +mp-765203,Li11Cr3Fe3O16,-6.7193505191,-2.037096672,0.0931541805,0.0931541805,GGA+U,P1,A3B3C11D16_aP33_1_3a_3a_11a_16a:Cr-Fe-Li-O,33.0,"Invalid WP multiplicities - A3B3C11D16_mC66_8_ab_ab_9a2b_8a8b:Cr-Fe-Li-O, expected Li13Cr3(FeO8)3 to be Li11Cr3Fe3O16" +mp-759872,Li11Cr3Fe3O16,-6.7214131164,-2.0391592693,0.0910915832,0.0910915832,GGA+U,Cm,A3B3C11D16_mC66_8_ab_ab_9ab_8a4b:Cr-Fe-Li-O,33.0,A3B3C11D16_aP33_1_3a_3a_11a_16a:Cr-Fe-Li-O +mp-754129,Li3Cr(FeO2)4,-7.4504384406,-1.8983502781,0.0474885519,0.0474885519,GGA+U,C2/m,AB4C3D8_mC32_12_a_bcf_de_2ij:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - AB4C3D8_mC32_12_a_bdf_c2e_3i2j:Cr-Fe-Li-O, expected Li5Cr(Fe2O7)2 to be Li3Cr(FeO2)4" +mp-756384,Li3Cr2Fe5O12,-7.6104016727,-1.8493455761,0.1570469133,0.1570469133,GGA+U,C2,A2B5C3D12_mC44_5_ab_a2bc_ac_6c:Cr-Fe-Li-O,22.0,"Invalid WP multiplicities - A2B5C3D12_mC44_5_ab_a2bc_ac_12c:Cr-Fe-Li-O, expected Li3Cr2Fe5O24 to be Li3Cr2Fe5O12" +mp-768696,Li3Cr3FeO8,-7.6683487753,-2.153052648,0.0871589235,0.0871589235,GGA+U,P-1,A3BC3D8_aP30_2_3i_i_3i_8i:Cr-Fe-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_aP30_2_4i_i_5i_16i:Cr-Fe-Li-O, expected Li5Cr4FeO16 to be Li3Cr3FeO8" +mp-755458,Li3Cr3FeO8,-7.705306818,-2.1900106907,0.0502008808,0.0502008808,GGA+U,C2/m,A3BC3D8_mC30_12_ae_b_cf_2ij:Cr-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_bf_a_c2e_3i2j:Cr-Fe-Li-O, expected Li5Cr3FeO14 to be Li3Cr3FeO8" +mp-1304638,Li3Cr3FeO8,-7.6910743533,-2.175778226,0.0644333455,0.0644333455,GGA+U,P2/m,A3BC3D8_mP30_10_ceo_bg_aho_2m2n2o:Cr-Fe-Li-O,30.0,"Invalid WP multiplicities - A3BC3D8_mP30_10_cho_ae_bdo_4m4n8o:Cr-Fe-Li-O, expected Li3Cr3FeO24 to be Li3Cr3FeO8" +mp-850200,Li3Cr3FeO8,-7.6957400847,-2.1804439573,0.0597676141,0.0597676141,GGA+U,R-3m,A3BC3D8_hR45_166_d_a_e_ch:Cr-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_mC30_12_ce_a_bf_3ij:Cr-Fe-Li-O, expected Li3Cr3FeO10 to be Li3Cr3FeO8" +mp-863330,Li3Cr3FeO8,-7.680354918,-2.1650587907,0.0751527808,0.0751527808,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Cr-Fe-Li-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_e_a_d_2c2h:Cr-Fe-Li-O, expected Li3Cr3FeO16 to be Li3Cr3FeO8" +mp-755679,Li4Cr3(FeO4)3,-7.5301432041,-2.0135449295,0.0872566876,0.0872566876,GGA+U,P-1,A3B3C4D12_aP22_2_bi_ei_2i_6i:Cr-Fe-Li-O,22.0,"Invalid WP multiplicities - A3B3C4D12_aP22_2_bi_ei_2i_11i:Cr-Fe-Li-O, expected Li4Cr3Fe3O22 to be Li4Cr3(FeO4)3" +mp-850905,Li4Cr3(FeO4)3,-7.500534466399999,-1.9839361917,0.1168654254,0.1168654254,GGA+U,F222,A3B3C4D12_oF88_22_ae_cj_ej_fi2k:Cr-Fe-Li-O,22.0,"Invalid WP multiplicities - A3B3C4D12_oF88_22_ae_cj_ej_2f2i7k:Cr-Fe-Li-O, expected Li4Cr3(FeO12)3 to be Li4Cr3(FeO4)3" +mp-755051,Li3Cr2FeO6,-7.5137077358,-2.2484563177,0.0067176385,0.0067176385,GGA+U,C2/m,A2BC3D6_mC24_12_i_a_ci_3i:Cr-Fe-Li-O,12.0,"Invalid WP multiplicities - A2BC3D6_mC24_12_i_a_di_5i:Cr-Fe-Li-O, expected Li3Cr2FeO10 to be Li3Cr2FeO6" +mp-755011,Li3Cr2(FeO4)2,-7.4993745987,-2.0629468887,0.0585044564,0.0585044564,GGA+U,C2/m,A2B2C3D8_mC30_12_ac_e_bf_2ij:Cr-Fe-Li-O,15.0,"Invalid WP multiplicities - A2B2C3D8_mC30_12_ac_f_b2e_3i4j:Cr-Fe-Li-O, expected Li5Cr2(FeO11)2 to be Li3Cr2(FeO4)2" +mp-769975,Li2Cr3FeO8,-7.8373516371,-2.0644574198,0.1003254503,0.1003254503,GGA+U,P1,A3BC2D8_aP28_1_6a_2a_4a_16a:Cr-Fe-Li-O,28.0,A3BC2D8_aP28_1_6a_2a_4a_16a:Cr-Fe-Li-O +mp-777653,Li2Cr3FeO8,-7.8910307995,-2.1181365821,0.046646288,0.046646288,GGA+U,P1,A3BC2D8_aP56_1_12a_4a_8a_32a:Cr-Fe-Li-O,56.0,A3BC2D8_aP56_1_12a_4a_8a_32a:Cr-Fe-Li-O +mp-756456,Li2Cr3FeO8,-7.7860315743,-2.0131373569,0.1516455132,0.1516455132,GGA+U,P-1,A3BC2D8_aP28_2_3i_i_2i_8i:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_aP28_2_4i_i_3i_16i:Cr-Fe-Li-O, expected Li3Cr4FeO16 to be Li2Cr3FeO8" +mp-775335,Li2Cr3FeO8,-7.8826977825,-2.1098035651,0.054979305,0.054979305,GGA+U,Cc,A3BC2D8_mC56_9_3a_a_2a_8a:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D8_mC56_9_5a_a_3a_14a:Cr-Fe-Li-O, expected Li3Cr5FeO14 to be Li2Cr3FeO8" +mp-756058,Li2Cr3FeO8,-7.8397953871,-2.0669011698,0.0978817003,0.0978817003,GGA+U,C2/m,A3BC2D8_mC28_12_ae_b_cd_2ij:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_mC28_12_ce_d_ab_4i3j:Cr-Fe-Li-O, expected Li2Cr3FeO20 to be Li2Cr3FeO8" +mp-755927,Li2Cr3FeO8,-7.8210214579,-2.0481272405,0.1166556296,0.1166556296,GGA+U,C2/m,A3BC2D8_mC28_12_ae_b_f_2ij:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_aP14_2_acd_e_bg_7i:Cr-Fe-Li-O, expected Li2Cr3FeO14 to be Li2Cr3FeO8" +mp-756179,Li2Cr3FeO8,-7.8724293629,-2.0995351455,0.0652477246,0.0652477246,GGA+U,R3m,A3BC2D8_hR42_160_b_a_2a_2a2b:Cr-Fe-Li-O,14.0,A3BC2D8_hR42_160_b_a_2a_2a2b:Cr-Fe-Li-O +mp-774415,Li2Cr3FeO8,-7.8782202336,-2.1053260162,0.0594568539,0.0594568539,GGA+U,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - A3BC2D8_hR42_166_d_a_c_2ch:Cr-Fe-Li-O, expected Li2Cr3FeO10 to be Li2Cr3FeO8" +mp-775129,Li2Cr3(FeO6)2,-7.5470859322,-1.8061756639,0.0753881971,0.0753881971,GGA+U,Pbcn,A3B2C2D12_oP76_60_cd_d_d_6d:Cr-Fe-Li-O,76.0,"Invalid WP multiplicities - A3B2C2D12_oP76_60_2c2d_d_d_21d:Cr-Fe-Li-O, expected LiCr3FeO21 to be Li2Cr3(FeO6)2" +mp-755848,Li2CrFeO4,-7.3800507271,-2.1640920698,0.0137213758,0.0136683694,GGA+U,P1,ABC2D4_aP24_1_3a_3a_6a_12a:Cr-Fe-Li-O,24.0,ABC2D4_aP24_1_3a_3a_6a_12a:Cr-Fe-Li-O +mp-755550,Li2CrFeO4,-7.3875710544,-2.1716123971,0.0062010485,0.0061480421,GGA+U,P-1,ABC2D4_aP16_2_i_i_abi_4i:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_aP16_2_i_i_ab2i_7i:Cr-Fe-Li-O, expected Li3CrFeO7 to be Li2CrFeO4" +mp-756242,Li2CrFeO4,-7.3937721029,-2.1778134456,0.0,-5.30065e-05,GGA+U,P-1,ABC2D4_aP24_2_ai_ci_3i_6i:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D4_aP24_2_ai_ci_5i_10i:Cr-Fe-Li-O, expected Li10Cr3Fe3O20 to be Li2CrFeO4" +mp-754348,Li2CrFeO4,-7.3936217938,-2.1776631365,0.0001503092,9.73027e-05,GGA+U,P-1,ABC2D4_aP24_2_ai_ci_fh2i_6i:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D4_aP24_2_ai_c2i_fh3i_11i:Cr-Fe-Li-O, expected Li8Cr3Fe5O22 to be Li2CrFeO4" +mp-754386,Li2CrFeO4,-7.3872237867,-2.1712651294,0.0065483162,0.0064953098,GGA+U,P-1,ABC2D4_aP24_2_ai_ci_3i_6i:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D4_aP24_2_a2i_ci_4i_12i:Cr-Fe-Li-O, expected Li8Cr5(FeO8)3 to be Li2CrFeO4" +mp-863081,Li2CrFeO4,-7.3823222679,-2.1663636106,0.011449835,0.0113968285,GGA+U,C2,ABC2D4_mC48_5_2ab_a2b_3c_6c:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D4_mC48_5_2ab_a2b_4c_11c:Cr-Fe-Li-O, expected Li8Cr3Fe3O22 to be Li2CrFeO4" +mp-755048,Li2CrFeO4,-7.3865631363,-2.170604479,0.0072089667,0.0071559602,GGA+U,P2/m,ABC2D4_mP8_10_b_d_ch_mn:Cr-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_mP8_10_b_g_ce_2mn:Cr-Fe-Li-O, expected Li2CrFeO6 to be Li2CrFeO4" +mp-754256,Li2CrFeO4,-7.3826640456,-2.1667053883,0.0111080573,0.0110550508,GGA+U,C2/m,ABC2D4_mC32_12_i_i_adi_4i:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mC32_12_i_i_ac2i_7i:Cr-Fe-Li-O, expected Li3CrFeO7 to be Li2CrFeO4" +mp-768945,Li2CrFeO4,-7.3869208725,-2.1709622152,0.0068512304,0.006798224,GGA+U,C2/m,ABC2D4_mC16_12_a_d_i_2i:Cr-Fe-Li-O,8.0,ABC2D4_mC16_12_a_c_i_2i:Cr-Fe-Li-O +mp-754952,Li2CrFeO4,-7.3612579681,-2.1452993108,0.0325141348,0.0324611283,GGA+U,C2/c,ABC2D4_mC32_15_e_e_f_2f:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mC32_15_e_e_f_6f:Cr-Fe-Li-O, expected Li2CrFeO12 to be Li2CrFeO4" +mp-752610,Li2CrFeO4,-7.385504185,-2.1695455277,0.0082679179,0.0082149115,GGA+U,Imma,ABC2D4_oI32_74_a_c_bd_hi:Cr-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oI32_74_a_c_bd_h2i:Cr-Fe-Li-O, expected Li2CrFeO6 to be Li2CrFeO4" +mp-754901,Li2CrFeO4,-7.3629287275,-2.1469700702,0.0308433754,0.030790369,GGA+U,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Cr-Fe-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_119_a_c_bd_2e2f:Cr-Fe-Li-O, expected Li2CrFeO8 to be Li2CrFeO4" +mp-782631,Li2Cr(FeO3)2,-7.3806029103,-1.9177785566,0.0987841949,0.0987841949,GGA+U,P-1,AB2C2D6_aP33_2_ai_3i_3i_9i:Cr-Fe-Li-O,33.0,"Invalid WP multiplicities - AB2C2D6_aP33_2_ai_6i_5i_18i:Cr-Fe-Li-O, expected Li10Cr3(FeO3)12 to be Li2Cr(FeO3)2" +mp-755090,Li5Cr2Fe5O12,-7.4176250058,-1.9775800117,0.0455836902,0.0455836902,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2bc_a2c_6c:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a2bc_a4c_6c:Cr-Fe-Li-O, expected Li9Cr2Fe5O12 to be Li5Cr2Fe5O12" +mp-1176819,Li9Cr12Fe7O48,-7.4617954526,-1.8072154257,0.0758893863,0.0758893863,GGA+U,P1,A12B7C9D48_aP76_1_12a_7a_9a_48a:Cr-Fe-Li-O,76.0,A12B7C9D48_aP76_1_12a_7a_9a_48a:Cr-Fe-Li-O +mp-772464,Li4Cr3Fe5O16,-7.5411534843,-1.8950120805,0.0931199639,0.0931199639,GGA+U,P1,A3B5C4D16_aP28_1_3a_5a_4a_16a:Cr-Fe-Li-O,28.0,A3B5C4D16_aP28_1_3a_5a_4a_16a:Cr-Fe-Li-O +mp-772097,Li4Cr3Fe5O16,-7.4857451429,-1.839603739,0.1485283053,0.1485283053,GGA+U,Cm,A3B5C4D16_mC56_8_ab_3ab_4a_8a4b:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B5C4D16_mC56_8_ab_3ab_4a_8a6b:Cr-Fe-Li-O, expected Li4Cr3(FeO4)5 to be Li4Cr3Fe5O16" +mp-759913,Li5Cr3FeO8,-7.2772564421,-2.1862395219,0.0676664783,0.0676664783,GGA+U,P1,A3BC5D8_aP68_1_12a_4a_20a_32a:Cr-Fe-Li-O,68.0,A3BC5D8_aP68_1_12a_4a_20a_32a:Cr-Fe-Li-O +mp-800259,Li5Cr3FeO8,-5.1953893859,-0.1043724657,2.1495335345,2.1495335345,GGA+U,P-1,A3BC5D8_aP17_2_bfg_d_acei_4i:Cr-Fe-Li-O,17.0,"Invalid WP multiplicities - A3BC5D8_aP17_2_bfg_c_ade2i_7i:Cr-Fe-Li-O, expected Li7Cr3FeO14 to be Li5Cr3FeO8" +mp-763916,Li5Cr3FeO8,-7.1922245641,-2.1012076439,0.1526983563,0.1526983563,GGA+U,R-3m,A3BC5D8_hR51_166_d_a_ce_ch:Cr-Fe-Li-O,17.0,"Invalid WP multiplicities - A3BC5D8_hR51_166_d_a_2c2e_2ch:Cr-Fe-Li-O, expected Li10Cr3FeO10 to be Li5Cr3FeO8" +mp-1226366,CrFeCoO4,-8.2198687243,-1.7887056786,0.0731779298,0.0731779298,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Co-Cr-Fe-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Co-Cr-Fe-O, expected CrFeCoO8 to be CrFeCoO4" +mp-774878,Li4Cr2Fe3Co3O16,-7.1716183618,-1.7136246903,0.1105238114,0.1105238114,GGA+U,Cm,A3B2C3D4E16_mC56_8_ab_2a_ab_4a_8a4b:Co-Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2C3D4E16_mC56_8_ab_2a_ab_4a_8a6b:Co-Cr-Fe-Li-O, expected Li4Cr2Fe3Co3O20 to be Li4Cr2Fe3Co3O16" +mp-850397,Li4Cr2Fe5O12,-7.5482834893,-1.9547114462,0.0625479643,0.0625479643,GGA+U,P2_1,A2B5C4D12_mP46_4_2a_5a_4a_12a:Cr-Fe-Li-O,46.0,"Invalid WP multiplicities - A2B5C4D12_mP46_4_3a_10a_8a_24a:Cr-Fe-Li-O, expected Li8Cr3(Fe5O12)2 to be Li4Cr2Fe5O12" +mp-767681,Li8Cr(FeO4)3,-6.4649813729,-1.8943664326,0.0964957164,0.0964957164,GGA+U,P2,AB3C8D12_mP24_3_a_bcd_2a2b2c2d_6e:Cr-Fe-Li-O,24.0,"Invalid WP multiplicities - AB3C8D12_mP24_3_a_bcd_2a2b2c2d_11e:Cr-Fe-Li-O, expected Li8CrFe3O22 to be Li8Cr(FeO4)3" +mp-773204,Li4Cr5Fe3O16,-7.7616113136,-2.030968034,0.0749312275,0.0749312275,GGA+U,Cm,A5B3C4D16_mC56_8_3ab_ab_4a_8a4b:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - A5B3C4D16_mC56_8_3a2b_ab_4a_8a6b:Cr-Fe-Li-O, expected Li4Cr7Fe3O20 to be Li4Cr5Fe3O16" +mp-1222585,LiCr(FeO2)4,-7.9097271257,-1.8371867781,0.0710688857,0.0710688857,GGA+U,C2/m,AB4CD8_mC28_12_c_ei_a_2ij:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_a_ei_d_4i2j:Cr-Fe-Li-O, expected LiCr(FeO4)4 to be LiCr(FeO2)4" +mp-1178052,Li2CrFe3O8,-7.4237088338,-1.8198183678,0.10460113,0.10460113,GGA+U,C2,AB3C2D8_mC112_5_abc_ab5c_4c_16c:Cr-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_mC112_5_ab2c_ab10c_6c_30c:Cr-Fe-Li-O, expected Li6Cr3Fe11O30 to be Li2CrFe3O8" +mp-775460,Li2CrFe3O8,-7.4242934618,-1.8204029958,0.1040165019,0.1040165019,GGA+U,C222_1,AB3C2D8_oC112_20_ab_ab2c_2c_8c:Cr-Fe-Li-O,56.0,"Invalid WP multiplicities - AB3C2D8_oC112_20_ab_2a2b6c_2c_30c:Cr-Fe-Li-O, expected Li2Cr(Fe4O15)2 to be Li2CrFe3O8" +mp-769871,Li2CrFe3O8,-7.4001183632,-1.7962278973,0.1281916005,0.1281916005,GGA+U,Cmc2_1,AB3C2D8_oC56_36_a_ab_2a_4a2b:Cr-Fe-Li-O,28.0,"Invalid WP multiplicities - AB3C2D8_hP28_186_b_c_a2b_a2b9c:Cr-Fe-Li-O, expected Li3Cr(FeO10)3 to be Li2CrFe3O8" +mp-1178043,Li2CrFe3O8,-7.3430842021,-1.7391937362,0.1852257616,0.1852257616,GGA+U,R-3m,AB3C2D8_hR42_166_a_d_c_ch:Cr-Fe-Li-O,14.0,"Invalid WP multiplicities - AB3C2D8_hR42_166_a_d_c_2ch:Cr-Fe-Li-O, expected Li2CrFe3O10 to be Li2CrFe3O8" +mp-1517732,BaNaNdMnO6,-6.981271601,-2.2960920784,0.1835044243,0.1835044243,GGA+U,Pnnn,ABCDE6_oP40_48_ab_e_cd_f_3m:Ba-Mn-Na-Nd-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_2c2d_f_6m:Ba-Mn-Na-Nd-O, expected BaNa2NdMnO12 to be BaNaNdMnO6" +mp-1517829,BaNaNdMnO6,-6.994983859,-2.3098043364,0.1697921663,0.1697921663,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Mn-Na-Nd-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Mn-Na-Nd-O +mp-630866,Fe3Pb4ClO8,-6.6431416713,-1.53797303,0.0662597036,0.0662597036,GGA+U,P4/mmm,AB3C8D4_tP16_123_a_bg_egi_2h:Cl-Fe-O-Pb,16.0,"Invalid WP multiplicities - AB3C8D4_tP16_123_a_bg_2e2g3i_4h:Cl-Fe-O-Pb, expected Fe3Pb8ClO20 to be Fe3Pb4ClO8" +mp-1181479,FeAs2Pb4(ClO2)4,-5.5918146226,-1.4019986947,0.2835016813,0.2835016813,GGA+U,P-1,A2B4CD8E4_aP19_2_i_2i_a_4i_2i:As-Cl-Fe-O-Pb,19.0,A2B4CD8E4_aP19_2_i_2i_a_4i_2i:As-Cl-Fe-O-Pb +mp-817992,FeAs2Pb4(ClO2)4,-2.5618104395,1.6280054884,3.3135058644,3.3135058644,GGA+U,P-1,A2B4CD8E4_aP19_2_i_2i_a_4i_2i:As-Cl-Fe-O-Pb,19.0,A2B4CD8E4_aP19_2_i_2i_a_4i_2i:As-Cl-Fe-O-Pb +mp-818283,FeAs2PbO8,-6.6853688565,-1.5958342915,0.0623390515,0.0623390515,GGA+U,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:As-Fe-O-Pb,48.0,A2BC8D_mP48_14_2e_e_8e_e:As-Fe-O-Pb +mp-735662,Fe4As10PbO22,-6.8794904355,-1.6629750948000002,0.0,-0.0059706065,GGA+U,P-1,A10B4C22D_aP74_2_10i_4i_22i_i:As-Fe-O-Pb,74.0,A10B4C22D_aP74_2_10i_4i_22i_i:As-Fe-O-Pb +mp-1212794,FeAs2Pb2O9,-6.6101703318,-1.6291881488,0.0553669112,0.0553669112,GGA+U,P2_1/m,A2BC9D2_mP28_11_2e_a_5e2f_2e:As-Fe-O-Pb,28.0,A2BC9D2_mP28_11_2e_a_5e2f_2e:As-Fe-O-Pb +mp-1181338,FePb2Cl3O5,-5.0050648568,-0.8073949581000001,0.4652129553,0.4652129553,GGA+U,P2_1,A3BC5D2_mP22_4_3a_a_5a_2a:Cl-Fe-O-Pb,22.0,A3BC5D2_mP22_4_3a_a_5a_2a:Cl-Fe-O-Pb +mp-1197443,Fe2As2PbO10,-6.7889985535,-1.493144326,0.1180368033,0.1180368033,GGA+U,Cccm,A2B2C10D_oC120_66_gl_m_g3l3m_ae:As-Fe-O-Pb,60.0,A2B2C10D_oC120_66_gl_m_g3l3m_ae:As-Fe-O-Pb +mp-1192895,BaDyFe4O7,-7.9975040669,-2.2257604055,0.0257140223,0.0257140223,GGA+U,P2_1,ABC4D7_mP26_4_a_a_4a_7a:Ba-Dy-Fe-O,26.0,ABC4D7_mP26_4_a_a_4a_7a:Ba-Dy-Fe-O +mp-1103543,BaDyFe4O7,-7.9569328031,-2.1851891416,0.0662852862,0.0662852862,GGA+U,I-4,ABC4D7_tI26_82_a_c_g_bfg:Ba-Dy-Fe-O,13.0,ABC4D7_tI26_82_a_c_g_bfg:Ba-Dy-Fe-O +mp-1104410,BaDyFe4O7,-7.8281383569,-2.0563946955,0.1950797323,0.1950797323,GGA+U,F-43m,ABC4D7_cF52_216_a_c_e_bg:Ba-Dy-Fe-O,13.0,ABC4D7_cF52_216_a_c_e_bg:Ba-Dy-Fe-O +mp-1522063,BaDy(FeO3)4,-7.1736349172,-1.6310731864,0.2386102951,0.2386102951,GGA+U,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:Ba-Dy-Fe-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:Ba-Dy-Fe-O, expected BaDy(FeO4)4 to be BaDy(FeO3)4" +mp-1517283,BaCaDyFeO6,-7.296519682,-2.6283681683,0.1311589324,0.1311589324,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Dy-Fe-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Dy-Fe-O +mp-24971,BaDyFe2O5,-7.921178323899999,-2.565706351,0.027687585,0.027687585,GGA+U,Pmma,ABC2D5_oP18_51_a_c_2f_2efj:Ba-Dy-Fe-O,18.0,ABC2D5_oP18_51_a_c_2f_2efj:Ba-Dy-Fe-O +mp-20851,BaDyFe2O5,-7.8938545967,-2.5383826237,0.0550113123,0.0550113123,GGA+U,P4/mmm,ABC2D5_tP9_123_a_b_h_ci:Ba-Dy-Fe-O,9.0,ABC2D5_tP9_123_a_b_h_ci:Ba-Dy-Fe-O +mp-1213015,DyMnCrO5,-8.7086111234,-2.6891994786,0.0418266456,0.0418266456,GGA+U,Pbam,ABCD5_oP32_55_e_g_h_fghi:Cr-Dy-Mn-O,32.0,ABCD5_oP32_55_e_g_h_fghi:Cr-Dy-Mn-O +mp-560990,Ca3Fe2(SeO3)6,-6.480890371,-1.8956245873,0.0,-0.0160884122,GGA+U,R-3c,A3B2C18D6_hR174_167_e_ab_3f_f:Ca-Fe-O-Se,58.0,"Invalid WP multiplicities - A3B2C18D6_hR174_167_e_a2b_27f_f:Ca-Fe-O-Se, expected CaFe(SeO27)2 to be Ca3Fe2(SeO3)6" +mp-1104614,CaFeSeO,-6.6110701887,-1.881514869,0.0257722813,0.0257722813,GGA+U,Pnma,ABCD_oP16_62_c_c_c_c:Ca-Fe-O-Se,16.0,ABCD_oP16_62_c_c_c_c:Ca-Fe-O-Se +mp-1221339,Na2MnCoNiO6,-6.48852401,-1.5452828626,0.0609808898,0.0609808898,GGA+U,Cm,ABC2DE6_mC22_8_a_a_2a_a_6a:Co-Mn-Na-Ni-O,11.0,ABC2DE6_mC22_8_a_a_2a_a_6a:Co-Mn-Na-Ni-O +mp-1221227,Na3MnCoNiO6,-6.2796110558,-1.6380962296,0.0430111804,0.0430111804,GGA+U,Cm,ABC3DE6_mC24_8_a_a_3a_a_6a:Co-Mn-Na-Ni-O,12.0,ABC3DE6_mC24_8_a_a_3a_a_6a:Co-Mn-Na-Ni-O +mp-558566,Ba5Er2ZrAl2O13,-7.8028012837,-3.4951439856,0.0,-0.008103943,GGA,P6_3/mmc,A2B5C2D13E_hP46_194_f_cef_f_d2k_a:Al-Ba-Er-O-Zr,46.0,"Invalid WP multiplicities - A2B5C2D13E_hP46_194_f_c3e3f_f_2d14k_a:Al-Ba-Er-O-Zr, expected Ba13Er2ZrAl2O86 to be Ba5Er2ZrAl2O13" +mp-1401355,CaMoF6,-6.3831406,-3.3431251256,0.0,-0.0782781516,GGA+U,R-3,AB6C_hR24_148_a_f_b:Ca-F-Mo,8.0,AB6C_hR24_148_a_f_b:Ca-F-Mo +mp-1376077,CaMoF5,-6.5750270404,-3.373792065,0.0174205818,0.0174205818,GGA+U,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Mo,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Mo +mp-1402613,CaMoF5,-6.5839282986,-3.3826933232,0.0085193236,0.0085193236,GGA+U,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Mo,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_c:Ca-F-Mo, expected CaMoF7 to be CaMoF5" +mp-1045884,Ba2CaCuMo2F14,-6.198346781,-3.2786086713,0.0001400919,0.0001400919,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Mo,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-Mo, expected Ba2CaCuMo2F48 to be Ba2CaCuMo2F14" +mp-1047929,BaCaMoF7,-6.4154413933,-3.600383623,0.0226604643,0.0226604643,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Mo,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Mo, expected BaCaMoF23 to be BaCaMoF7" +mp-1220901,NaSm3Ti2(SbO7)2,-8.0609286664,-3.1163417496,0.0038441632,-0.0089358522,GGA,C2/m,AB14C2D3E2_mC44_12_a_3i2j_f_ce_bd:Na-O-Sb-Sm-Ti,22.0,"Invalid WP multiplicities - AB14C2D3E2_mC44_12_a_5i6j_e_cf_bd:Na-O-Sb-Sm-Ti, expected NaSm3Ti2(SbO17)2 to be NaSm3Ti2(SbO7)2" +mp-40685,NaSm3Ti2(SbO7)2,-8.0647728295,-3.1201859128,0.0,-0.0127800153,GGA,P2/c,AB14C2D3E2_mP44_13_a_7g_de_cef_bf:Na-O-Sb-Sm-Ti,44.0,"Invalid WP multiplicities - AB14C2D3E2_mP44_13_a_24g_2d2e_2c2e2f_2b2f:Na-O-Sb-Sm-Ti, expected NaSm6Ti4(SbO12)4 to be NaSm3Ti2(SbO7)2" +mp-1208864,Sm3TiSb5,-5.7386907844,-0.9946622709,0.022974345,0.022974345,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:Sb-Sm-Ti,18.0,A5B3C_hP18_193_dg_g_b:Sb-Sm-Ti +mp-1227097,CaScAlSiO6,-8.3031263855,-3.5842168743,0.0019625205,0.0018024496,GGA,C2,ABC6DE_mC40_5_c_ab_6c_ab_c:Al-Ca-O-Sc-Si,20.0,ABC6DE_mC40_5_c_ab_6c_ab_c:Al-Ca-O-Sc-Si +mp-39167,CaScAlSiO6,-8.305088906,-3.5861793948000003,0.0,-0.0001600709,GGA,P2_1/c,ABC6DE_mP40_14_e_e_6e_e_e:Al-Ca-O-Sc-Si,40.0,"Invalid WP multiplicities - ABC6DE_mP40_14_e_e_23e_e_e:Al-Ca-O-Sc-Si, expected CaScAlSiO23 to be CaScAlSiO6" +mp-6255,Ca3Sc2(SiO4)3,-8.3134969133,-3.5975990895,0.0,-0.0186270991,GGA,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Sc-Si,80.0,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Sc-Si +mp-1234464,CaSc4(Si2O7)2,-8.1793293696,-3.0362689184,0.5231793338,0.5231793338,GGA,Imm2,AB14C4D4_oI46_44_a_3a3b2e_cd_cd:Ca-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_oI46_44_a_3a3b7e_cd_cd:Ca-O-Sc-Si, expected CaSc4(Si2O17)2 to be CaSc4(Si2O7)2" +mp-1233919,CaSc4(Si2O7)2,-8.3484968757,-3.2054364245,0.3540118277,0.3540118277,GGA,R3m,AB14C4D4_hR69_160_a_2a4b_ab_ab:Ca-O-Sc-Si,23.0,"Invalid WP multiplicities - AB14C4D4_hR69_160_a_2a9b_ab_ab:Ca-O-Sc-Si, expected CaSc4Si4O29 to be CaSc4(Si2O7)2" +mp-1518173,Ca2TiSbO6,-7.384414996,-2.8128324676,0.2397723692,0.2397723692,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-Ti +mp-28828,Li6FeCl8,-4.2174397553,-1.9033163093,0.0313816847,0.0313816847,GGA,Fm-3m,A8BC6_cF60_225_ce_a_d:Cl-Fe-Li,15.0,"Invalid WP multiplicities - A8BC6_cF60_225_2c2e_a_d:Cl-Fe-Li, expected Li6FeCl16 to be Li6FeCl8" +mp-561087,LiFe(MoO4)2,-7.962137485,-1.9918246528,0.0160768847,0.0160768847,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Fe-Li-Mo-O,24.0,"Invalid WP multiplicities - ABC2D8_aP24_2_i_i_4i_16i:Fe-Li-Mo-O, expected LiFe(MoO4)4 to be LiFe(MoO4)2" +mp-1210931,LiFeCl4,-4.4836129029,-1.5214311168,0.0,-0.0326660065,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Cl-Fe-Li,24.0,A4BC_mP24_14_4e_e_e:Cl-Fe-Li +mp-1222986,Li3Fe(MoO4)3,-7.6719090088,-2.0880140259,0.0178478797,0.0178478797,GGA+U,Pc,AB3C3D12_mP76_7_2a_6a_6a_24a:Fe-Li-Mo-O,76.0,"Invalid WP multiplicities - AB3C3D12_mP76_7_2a_10a_11a_46a:Fe-Li-Mo-O, expected Li10Fe2Mo11O46 to be Li3Fe(MoO4)3" +mp-1320145,LiFeMoClO4,-7.3132075563,-1.9557218448,0.0016640244,-0.0141312552,GGA+U,Pm,ABCDE4_mP16_6_ab_ab_c_ab_2a2b2c:Cl-Fe-Li-Mo-O,16.0,ABCDE4_mP16_11_e_e_a_e_2ef:Cl-Fe-Li-Mo-O +mp-561410,LiFeMoClO4,-7.3148715806,-1.9573858692,0.0,-0.0157952795,GGA+U,P2_1/m,ABCDE4_mP16_11_e_e_a_e_2ef:Cl-Fe-Li-Mo-O,16.0,"Invalid WP multiplicities - ABCDE4_mP16_11_e_e_a_e_4e2f:Cl-Fe-Li-Mo-O, expected LiFeMoClO8 to be LiFeMoClO4" +mp-778496,LiFe2(ClO)2,-6.2494265819,-1.6152242920000002,0.0595303535,0.0595303535,GGA+U,P2/c,A2B2CD2_mP42_13_3g_3e3f_2ef_3g:Cl-Fe-Li-O,42.0,"Invalid WP multiplicities - A2B2CD2_mP42_13_9g_6e6f_3ef_12g:Cl-Fe-Li-O, expected Li2Fe6(Cl3O4)3 to be LiFe2(ClO)2" +mp-755254,LiFe2(ClO)2,-6.2345232,-1.6003209101,0.0744337354,0.0744337354,GGA+U,Pmm2,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Li-O,7.0,A2B2CD2_oP7_25_bc_ad_a_bc:Cl-Fe-Li-O +mp-676683,Li2FeCl4,-4.4635740297,-1.6518578035,0.0517244303,0.0517244303,GGA,P1,A4BC2_aP70_1_40a_10a_20a:Cl-Fe-Li,70.0,A4BC2_aP70_1_40a_10a_20a:Cl-Fe-Li +mp-676752,Li2FeCl4,-4.4560840333,-1.6443678071,0.0592144267,0.0592144267,GGA,P1,A4BC2_aP70_1_40a_10a_20a:Cl-Fe-Li,70.0,A4BC2_aP70_1_40a_10a_20a:Cl-Fe-Li +mp-1222745,Li2FeCl4,-4.4941863271,-1.682470101,0.0211121329,0.0211121329,GGA,Imma,A4BC2_oI28_74_hi_a_ce:Cl-Fe-Li,14.0,"Invalid WP multiplicities - A4BC2_oI28_74_2h2i_a_ce:Cl-Fe-Li, expected Li2FeCl8 to be Li2FeCl4" +mp-1212199,Li2Fe3(MoO4)3,-7.8847068229,-1.8284506115,0.1501727616,0.1501727616,GGA+U,Pnma,A3B2C3D12_oP80_62_cd_2c_cd_2c5d:Fe-Li-Mo-O,80.0,A3B2C3D12_oP80_62_cd_2c_cd_2c5d:Fe-Li-Mo-O +mp-1223182,Li2Fe2(MoO4)3,-7.9507962687,-2.0215803204,0.0058917942,0.0012781036,GGA+U,Pc,A2B2C3D12_mP76_7_4a_4a_6a_24a:Fe-Li-Mo-O,76.0,"Invalid WP multiplicities - A2B2C3D12_mP76_7_7a_5a_11a_46a:Fe-Li-Mo-O, expected Li5Fe7Mo11O46 to be Li2Fe2(MoO4)3" +mp-21778,Li2Fe2(MoO4)3,-7.9566880629,-2.0274721146,0.0,-0.0046136907,GGA+U,Pbcn,A2B2C3D12_oP76_60_d_d_cd_6d:Fe-Li-Mo-O,76.0,A2B2C3D12_oP76_60_d_d_cd_6d:Fe-Li-Mo-O +mp-1048236,Ba2AlMo3O8,-7.8997383636,-2.2073108114,0.3619518276,0.3619518276,GGA+U,Amm2,AB2C3D8_oC28_38_b_c_ac_cdf:Al-Ba-Mo-O,14.0,"Invalid WP multiplicities - AB2C3D8_oC28_38_b_c_a2c_2c2d2f:Al-Ba-Mo-O, expected Ba2AlMo5O16 to be Ba2AlMo3O8" +mp-1042504,BaAlCuMoO5,-6.9472259856,-1.9091314182,0.6542996143,0.6542996143,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Mo-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cu-Mo-O +mp-1232318,Ba4Cu3MoO12,-6.5008033525,-1.9918316318,0.1140548705,0.1140548705,GGA+U,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Cu-Mo-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_2de:Ba-Cu-Mo-O, expected Ba4Cu3MoO18 to be Ba4Cu3MoO12" +mp-1043948,CaLaFeSnO6,-7.6518926635,-2.7417594318000003,0.0254889812,0.0254889812,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Sn,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-Sn +mp-1340585,TaZn2FeO6,-7.470900833,-2.2181590002,0.1051984343,0.1051984343,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Fe-O-Ta-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e7f_c_3e:Fe-O-Ta-Zn, expected TaZn3FeO18 to be TaZn2FeO6" +mp-1042882,Ta6Zn3(FeO6)4,-8.7155239486,-2.5661587995,0.091700602,0.091700602,GGA+U,P-1,A4B24C6D3_aP37_2_2i_12i_3i_ai:Fe-O-Ta-Zn,37.0,"Invalid WP multiplicities - A4B24C6D3_aP37_2_2i_13i_5i_ai:Fe-O-Ta-Zn, expected Ta10Zn3(Fe2O13)2 to be Ta6Zn3(FeO6)4" +mp-1046115,Ta2Zn2FeO8,-8.3053463858,-2.5916099719,0.0222179092,0.0222179092,GGA+U,C2/c,AB8C2D2_mC52_15_e_4f_f_f:Fe-O-Ta-Zn,52.0,AB8C2D2_mC52_15_e_4f_f_f:Fe-O-Ta-Zn +mp-1044107,LaTaZnFeO6,-8.427890049,-2.8075218667,0.0763403278,0.0763403278,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Fe-La-O-Ta-Zn,40.0,ABC6DE_mP20_7_a_a_6a_a_a:Fe-La-O-Ta-Zn +mp-1044536,PrMg(FeO3)2,-7.6486438025,-2.3485077532,0.0752706603,0.0752706603,GGA+U,Pmn2_1,A2BC6D_oP20_31_b_a_2a2b_a:Fe-Mg-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_31_b_a_4a4b_a:Fe-Mg-O-Pr, expected PrMg(FeO6)2 to be PrMg(FeO3)2" +mp-28327,LiGaBr3,-3.3890122485,-1.4697914727,0.0,-0.0048177502,GGA,P2_1/m,A3BC_mP20_11_2e2f_2e_ad:Br-Ga-Li,20.0,"Invalid WP multiplicities - A3BC_mP20_11_3e3f_4e_2a2c:Br-Ga-Li, expected Li4Ga4Br9 to be LiGaBr3" +mp-28326,LiGaBr4,-3.3697376683,-1.5115489668,0.0,-0.018611515,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:Br-Ga-Li,24.0,"Invalid WP multiplicities - A4BC_mP24_14_6e_e_e:Br-Ga-Li, expected LiGaBr6 to be LiGaBr4" +mp-556649,Li4Ga3Si3BrO12,-6.80268342,-2.7196735726,0.0,-0.012003418,GGA,P-43n,AB3C4D12E3_cP46_218_a_c_e_i_d:Br-Ga-Li-O-Si,46.0,AB3C4D12E3_cP46_218_a_c_e_i_d:Br-Ga-Li-O-Si +mp-1214802,Ba2Sm3Si3SeO12,-8.0114247567,-3.3863848334,0.0892865099,0.0892865099,GGA,P6_3/m,A2B12CD3E3_hP42_176_f_2hi_b_h_h:Ba-O-Se-Si-Sm,42.0,A2B12CD3E3_hP42_176_f_2hi_b_h_h:Ba-O-Se-Si-Sm +mp-1518429,Ba2SmSeO6,-6.804462404,-2.631204428,0.1295730568,0.1295730568,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Se-Sm,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Se-Sm +mp-39866,BaSm4Si3SeO12,-8.2563833371,-3.4980285951,0.0502009849,0.0502009849,GGA,P6_3,AB12CD3E4_hP42_173_b_4c_a_c_bc:Ba-O-Se-Si-Sm,42.0,"Invalid WP multiplicities - AB12CD3E4_hP42_173_b_22c_a_c_2b3c:Ba-O-Se-Si-Sm, expected BaSm11Si3SeO66 to be BaSm4Si3SeO12" +mp-14837,Sm4Si2Se3O7,-7.8642548222,-3.1867838215,0.0047023074,0.0047023074,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-Se-Si-Sm,64.0,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-Se-Si-Sm +mp-18610,Sm2SiSeO4,-8.1625191975,-3.3943746197,0.0,-0.0157851442,GGA,Pbcm,A4BCD2_oP32_57_2e_d_c_cd:O-Se-Si-Sm,32.0,A4BCD2_oP32_57_2e_d_c_cd:O-Se-Si-Sm +mp-1032002,Mg6ZnSiO8,-6.0520996937,-2.5608339669,0.3760204969,0.3760204969,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-Zn, expected Mg6ZnSiO12 to be Mg6ZnSiO8" +mp-1032022,Mg6ZnSiO8,-6.0462784437,-2.5550127169,0.3818417469,0.3818417469,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-Zn, expected Mg6ZnSiO12 to be Mg6ZnSiO8" +mp-2229044,MgZn2Co2(SiO5)2,-6.8140128341,-2.1873113028,0.1647512604,0.1647512604,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-Si-Zn,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-Si-Zn +mp-2229691,MgZn2Co2(SiO5)2,-6.8010038435,-2.1743023122,0.177760251,0.177760251,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-Si-Zn,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-Si-Zn +mp-2215916,MgZn(CoO2)4,-6.5000564207,-1.4381418114,0.2210925612,0.2210925612,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn +mp-2215803,MgZn(CoO2)4,-6.4342377807,-1.3723231714,0.2869112012,0.2869112012,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn +mp-2215820,MgZn(CoO2)4,-6.5194923614,-1.4575777521,0.2016566205,0.2016566205,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn +mp-2215951,MgZn(CoO2)4,-6.4629354121,-1.4010208029,0.2582135698,0.2582135698,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn +mp-2215824,MgZn(CoO2)4,-6.4038581657,-1.3419435564,0.3172908162,0.3172908162,GGA+U,P1,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_aP14_1_4a_a_8a_a:Co-Mg-O-Zn +mp-2215987,MgZn(CoO2)4,-6.4424554093,-1.3805408,0.2786935726,0.2786935726,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn +mp-2215809,MgZn(CoO2)4,-6.4230922757,-1.3611776664,0.2980567062,0.2980567062,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn +mp-2215878,MgZn(CoO2)4,-6.3894716093,-1.327557,0.3316773726,0.3316773726,GGA+U,Cm,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn,14.0,A4BC8D_mC28_8_4a_a_8a_a:Co-Mg-O-Zn +mp-1154753,MgCo(SiO3)2,-7.7517641968,-2.8278275795,0.0284411406,0.0284411406,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Co-Mg-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Co-Mg-O-Si +mp-1041840,MgCo(SiO3)2,-7.7750993565,-2.8511627393000003,0.0051059809,0.0051059809,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Co-Mg-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Co-Mg-O-Si, expected MgCoSi8O41 to be MgCo(SiO3)2" +mp-1222111,MgCoSiO4,-7.4878168439,-2.6420067411,0.0377919637,0.0377919637,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Mg-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Co-Mg-O-Si +mp-1037497,Mg30ZnCoO32,-6.2945612672,-2.9403346787,0.0189703525,0.0189703525,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Zn, expected Mg90ZnCoO80 to be Mg30ZnCoO32" +mp-1037482,Mg30ZnCoO32,-6.2941953089,-2.9399687204,0.0193363107,0.0193363107,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Zn, expected Mg110ZnCoO72 to be Mg30ZnCoO32" +mp-1035198,Mg14ZnCoO16,-6.2823673138,-2.8473985173000003,0.0171712455,0.0171712455,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Zn, expected Mg18ZnCoO20 to be Mg14ZnCoO16" +mp-1035190,Mg14ZnCoO16,-6.2645764469,-2.8296076505,0.0349621124,0.0349621124,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Zn, expected Mg30ZnCoO32 to be Mg14ZnCoO16" +mp-2217891,MgZn2(CoO3)2,-5.9640489527,-1.5989093957,0.2283285818,0.2283285818,GGA+U,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Co-Mg-O-Zn,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Co-Mg-O-Zn +mp-2240001,MgZn2(CoO3)2,-5.9714302164,-1.6062906593,0.2209473182,0.2209473182,GGA+U,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Co-Mg-O-Zn,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Co-Mg-O-Zn +mp-2218045,MgZn2(CoO3)2,-5.9933036527,-1.6281640957,0.1990738818,0.1990738818,GGA+U,P-1,A2BC6D2_aP11_2_i_a_3i_i:Co-Mg-O-Zn,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_5i_i:Co-Mg-O-Zn, expected MgZn2(CoO5)2 to be MgZn2(CoO3)2" +mp-2218075,MgZn2(CoO3)2,-6.0163340545,-1.6511944975,0.17604348,0.17604348,GGA+U,P-1,A2BC6D2_aP11_2_i_a_3i_i:Co-Mg-O-Zn,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_5i_i:Co-Mg-O-Zn, expected MgZn2(CoO5)2 to be MgZn2(CoO3)2" +mp-1035303,Mg14CoSiO16,-6.3606383781,-2.7954953811000003,0.1999520005,0.1999520005,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Si, expected Mg18CoSiO20 to be Mg14CoSiO16" +mp-1034986,Mg14CoSiO16,-6.3454928159,-2.7803498189,0.2150975627,0.2150975627,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Si, expected Mg30CoSiO32 to be Mg14CoSiO16" +mp-1026883,Mg14CoSi,-2.1080372475,0.0755600353,0.1633670874,0.1633670874,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Co-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Co-Mg-Si, expected Mg18CoSi to be Mg14CoSi" +mp-1026870,Mg14CoSi,-2.0984460906,0.0851511922,0.1729582443,0.1729582443,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Co-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Co-Mg-Si, expected Mg26CoSi to be Mg14CoSi" +mp-1267366,MgCoSiO5,-7.1692660188,-2.3108460898,0.121547387,0.121547387,GGA+U,P-1,ABC5D_aP16_2_ab_i_5i_i:Co-Mg-O-Si,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_ab_i_9i_i:Co-Mg-O-Si, expected MgCoSiO9 to be MgCoSiO5" +mp-1046674,MgCoSiO5,-7.1356320331,-2.2772121042,0.1551813726,0.1551813726,GGA+U,C2/c,ABC5D_mC32_15_a_e_e2f_e:Co-Mg-O-Si,16.0,ABC5D_mC32_15_c_e_e2f_e:Co-Mg-O-Si +mp-1022604,Mg6ZnSi,-1.9858418006,0.0500009419,0.1384588955,0.1384588955,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Zn, expected Mg12ZnSi to be Mg6ZnSi" +mp-1022647,Mg6ZnSi,-1.9850262681,0.0508164744,0.139274428,0.139274428,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-Zn, expected Mg12ZnSi to be Mg6ZnSi" +mp-1233729,MgZn4(Co3O8)2,-6.062819633,-1.3059240537,0.2011584188,0.2011584188,GGA+U,P1,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn,27.0,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn +mp-1234102,MgZn4(Co3O8)2,-6.1180781011,-1.3611825219,0.1458999506,0.1458999506,GGA+U,P1,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn,27.0,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn +mp-2216435,MgZn4(Co3O8)2,-6.1023824822,-1.345486903,0.1615955695,0.1615955695,GGA+U,P1,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn,27.0,A6BC16D4_aP27_1_6a_a_16a_4a:Co-Mg-O-Zn +mp-1022049,Mg6CoSi,-2.6202374769,0.1466770388,0.3048537432,0.3048537432,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Co-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Co-Mg-Si, expected Mg12CoSi to be Mg6CoSi" +mp-1022054,Mg6CoSi,-2.6518091675,0.1151053481,0.2732820526,0.2732820526,GGA,Amm2,AB6C_oC16_38_a_abde_b:Co-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Co-Mg-Si, expected Mg12CoSi to be Mg6CoSi" +mp-1034860,Mg14ZnSiO16,-6.1867520422,-2.8043769884,0.1910703931,0.1910703931,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-Zn, expected Mg18ZnSiO20 to be Mg14ZnSiO16" +mp-1034896,Mg14ZnSiO16,-6.1849351122,-2.8025600584,0.1928873231,0.1928873231,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-Zn, expected Mg30ZnSiO32 to be Mg14ZnSiO16" +mp-2230491,MgCo2(SiO3)4,-7.7329957874,-2.6341298771,0.1105996905,0.1105996905,GGA+U,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Co-Mg-O-Si,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Co-Mg-O-Si +mp-2230436,MgCo2(SiO3)4,-7.7223063763,-2.6234404661,0.1212891016,0.1212891016,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-Si,19.0,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-Si +mp-2231130,MgCo2(SiO3)4,-7.6975410905,-2.5986751803,0.1460543874,0.1460543874,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-Si,19.0,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-Si +mp-1027976,Mg14ZnSi,-1.7901061500000002,0.0279552463,0.0854152149,0.0854152149,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Zn, expected Mg18ZnSi to be Mg14ZnSi" +mp-1027962,Mg14ZnSi,-1.802979075,0.0150823213,0.0725422899,0.0725422899,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Zn, expected Mg26ZnSi to be Mg14ZnSi" +mp-1254259,Mg3Co2(Si2O7)2,-7.5027963715,-2.7213881186,0.1004864267,0.1004864267,GGA+U,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Co-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Co-Mg-O-Si, expected Mg3CoSi5O27 to be Mg3Co2(Si2O7)2" +mp-1324099,Mg3Co2(SiO4)3,-7.4009411305,-2.6682564123,0.0866945015,0.0866945015,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Co-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Co-Mg-O-Si +mp-1032166,Mg6CoSiO8,-6.3751317231,-2.5183301097,0.4185243541,0.4185243541,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Si, expected Mg6CoSiO12 to be Mg6CoSiO8" +mp-1032193,Mg6CoSiO8,-6.3889898812,-2.5321882678,0.4046661959,0.4046661959,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Si, expected Mg6CoSiO12 to be Mg6CoSiO8" +mp-1032604,Mg6ZnCoO8,-6.1997568912,-2.6033036791,0.0717955473,0.0717955473,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Zn, expected Mg6ZnCoO12 to be Mg6ZnCoO8" +mp-1032617,Mg6ZnCoO8,-6.1962341888,-2.5997809766,0.0753182498,0.0753182498,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Zn, expected Mg6ZnCoO12 to be Mg6ZnCoO8" +mp-1043503,MgCo(Si2O5)2,-7.9189568762,-2.9266595589,0.0840204246,0.0840204246,GGA+U,P4/ncc,ABC10D4_tP64_130_c_b_f2g_g:Co-Mg-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_c_b_f5g_g:Co-Mg-O-Si, expected MgCo(Si2O11)2 to be MgCo(Si2O5)2" +mp-2232336,MgZn2(CoO2)4,-6.2488537833,-1.4404172407,0.2543759391,0.2543759391,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Co-Mg-O-Zn,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Co-Mg-O-Zn +mp-2232283,MgZn2(CoO2)4,-6.2822840813,-1.4738475387,0.2209456411,0.2209456411,GGA+U,C2/m,A4BC8D2_mC30_12_ace_b_2ij_i:Co-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_ac2f_b_4i4j_i:Co-Mg-O-Zn, expected MgZn2(CoO4)6 to be MgZn2(CoO2)4" +mp-1037585,Mg30ZnSiO32,-6.2556075003,-2.9276777831,0.0970660573,0.0970660573,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-Zn, expected Mg110ZnSiO72 to be Mg30ZnSiO32" +mp-1037343,Mg30ZnSiO32,-6.2568413397,-2.9289116225000003,0.095832218,0.095832218,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-Zn, expected Mg90ZnSiO80 to be Mg30ZnSiO32" +mp-1037157,Mg30CoSiO32,-6.3492469991,-2.9299333102,0.0948105302,0.0948105302,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Si, expected Mg90CoSiO80 to be Mg30CoSiO32" +mp-1037137,Mg30CoSiO32,-6.3414064334,-2.9220927446,0.1026510959,0.1026510959,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Si, expected Mg110CoSiO72 to be Mg30CoSiO32" +mp-1097665,MgCo2Si,-3.08297076,2.2275876575,2.5567942778,2.5567942778,GGA,Immm,A2BC_oI8_71_e_a_b:Co-Mg-Si,4.0,A2BC_oI8_71_e_a_b:Co-Mg-Si +mp-1185849,MgCo2Si,-5.6113545575,-0.30079614,0.0284104803,0.0284104803,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Mg-Si,4.0,A2BC_cF16_225_c_a_b:Co-Mg-Si +mp-1221994,Mn3Cu(Te2O5)4,-6.4588224952,-1.5942764352,0.0128918174,0.0128918174,GGA+U,P-4b2,AB3C20D8_tP64_117_c_df_gh4i_2i:Cu-Mn-O-Te,64.0,"Invalid WP multiplicities - AB3C20D8_tP64_117_c_df_gh6i_3i:Cu-Mn-O-Te, expected Mn3Cu(Te3O7)4 to be Mn3Cu(Te2O5)4" +mp-758477,Mn3Cu3(TeO8)2,-6.5544730542,-1.337085677,0.0474653495,0.0474653495,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cu-Mn-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cu-Mn-O-Te, expected Mn3Cu3(TeO10)2 to be Mn3Cu3(TeO8)2" +mp-1224824,Mn5Cu(Te2O5)6,-6.5399653465,-1.6226816967,0.01222515,0.01222515,GGA+U,P1,AB5C30D12_aP192_1_4a_20a_120a_48a:Cu-Mn-O-Te,192.0,AB5C30D12_aP192_1_4a_20a_120a_48a:Cu-Mn-O-Te +mp-505342,MnCu(Te2O5)2,-6.2160081372,-1.5096748467,0.0142776238,0.0142776238,GGA+U,P4_2/nbc,ABC10D4_tP64_133_c_a_j2k_k:Cu-Mn-O-Te,64.0,"Invalid WP multiplicities - ABC10D4_tP64_133_c_a_j5k_k:Cu-Mn-O-Te, expected MnCu(Te2O11)2 to be MnCu(Te2O5)2" +mp-1222077,Mn5Cu3(Te2O5)8,-6.3363825252,-1.5509428499,0.0146175116,0.0146175116,GGA+U,C222,A3B5C40D16_oC128_21_abc_dij_efgh8l_4l:Cu-Mn-O-Te,64.0,"Invalid WP multiplicities - A3B5C40D16_oC128_21_abc_d2ij_2e2fgh22l_11l:Cu-Mn-O-Te, expected Mn7Cu3(Te11O25)4 to be Mn5Cu3(Te2O5)8" +mp-757393,Li4Mn3Cu3(TeO8)2,-6.4591015132,-1.7143519232000002,0.0237058658,0.0237058658,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Mn-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Mn-O-Te, expected Li4Mn3Cu3(TeO10)2 to be Li4Mn3Cu3(TeO8)2" +mp-651268,Fe2Cu6SnS8,-5.17148014,-0.5458064206000001,0.0115469419,0.0115469419,GGA,P-4m2,A6B2C8D_tP17_115_gi_bc_jk_a:Cu-Fe-S-Sn,17.0,"Invalid WP multiplicities - A6B2C8D_tP17_115_2g2i_bc_2j2k_a:Cu-Fe-S-Sn, expected Fe2Cu12SnS16 to be Fe2Cu6SnS8" +mp-628568,FeCu2SnS4,-5.2332733163,-0.5802975822,0.0430235931,0.0430235931,GGA,P-42m,A2BC4D_tP8_111_e_b_n_c:Cu-Fe-S-Sn,8.0,A2BC4D_tP8_111_e_b_n_c:Cu-Fe-S-Sn +mp-22648,FeCu2SnS4,-5.2368274125,-0.5838516784000001,0.0394694969,0.0394694969,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-S-Sn,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Fe-S-Sn +mp-1216035,ZnFe2Cu6(SnS4)3,-4.9731567879,-0.6206092872,0.0308578621,0.0308578621,GGA,I-4,A6B2C12D3E_tI48_82_acef_e_3g_df_b:Cu-Fe-S-Sn-Zn,24.0,"Invalid WP multiplicities - A6B2C12D3E_tI48_82_ac2ef_f_12g_b2e_d:Cu-Fe-S-Sn-Zn, expected ZnFe2Cu8Sn5S48 to be ZnFe2Cu6(SnS4)3" +mp-1225264,Fe3Cu(SnS4)2,-5.6680140043,-0.6237273654000001,0.1196586446,0.1196586446,GGA,Imm2,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Fe-S-Sn,14.0,AB3C8D2_oI28_44_a_bc_2c2d_d:Cu-Fe-S-Sn +mp-1216401,ZnFe4Cu10(SnS4)5,-5.0792696453,-0.6065508512000001,0.0336579085,0.0336579085,GGA,I-42m,A10B4C20D5E_tI80_121_d2h_2e_5i_a2e_b:Cu-Fe-S-Sn-Zn,40.0,"Invalid WP multiplicities - A10B4C20D5E_tI80_121_2d6h_3e_20i_a3e_b:Cu-Fe-S-Sn-Zn, expected ZnFe6Cu28Sn7S80 to be ZnFe4Cu10(SnS4)5" +mp-1215886,ZnFe3(SnS4)2,-5.5098650014,-0.6683971525,0.1521372033,0.1521372033,GGA,Imm2,A3B8C2D_oI28_44_ac_2c2d_d_b:Fe-S-Sn-Zn,14.0,A3B8C2D_oI28_44_ac_2c2d_d_b:Fe-S-Sn-Zn +mp-1105236,FeCu6(SnS4)2,-4.8052575271,-0.4419631815,0.1160253826,0.1160253826,GGA,P-4m2,A6BC8D2_tP17_115_gi_b_jk_ac:Cu-Fe-S-Sn,17.0,A6BC8D2_tP17_115_gi_b_jk_ac:Cu-Fe-S-Sn +mp-1190224,ZnCu2SnS4,-4.4499824675,-0.6982914334,0.0094676637,0.001333857,GGA,Pmn2_1,A2B4CD_oP16_31_b_2ab_a_a:Cu-S-Sn-Zn,16.0,A2B4CD_oP16_31_b_2ab_a_a:Cu-S-Sn-Zn +mp-1079541,ZnCu2SnS4,-4.4594501312,-0.7077590972000001,0.0,-0.0081338068,GGA,I-4,A2B4CD_tI16_82_ac_g_b_d:Cu-S-Sn-Zn,8.0,A2B4CD_tI16_82_ac_g_b_d:Cu-S-Sn-Zn +mp-1025500,ZnCu2SnS4,-4.4566870088,-0.7049959747,0.0027631225,-0.0053706843,GGA,I-42m,A2B4CD_tI16_121_d_i_a_b:Cu-S-Sn-Zn,8.0,A2B4CD_tI16_121_d_i_a_b:Cu-S-Sn-Zn +mp-1225180,FeCu2Sn3S8,-5.0814677321,-0.6679856571,0.012276932,0.012276932,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Cu-Fe-S-Sn,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Cu-Fe-S-Sn, expected FeCu2Sn3S22 to be FeCu2Sn3S8" +mp-1518599,NaEuHfSbO6,-8.414956834,-2.8803718709,0.03328264,0.03328264,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-Sb +mp-1521800,NaCaEuSeO6,-6.862564002,-2.1864469301,0.1894744786,0.1894744786,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-Na-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-Na-O-Se +mp-974307,NdCuTeO,-6.3142991875,-2.0749620107,0.0214191144,0.0214191144,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Nd-O-Te,8.0,ABCD_tP8_129_a_c_b_c:Cu-Nd-O-Te +mp-560170,Nd5Te2Cl3O10,-7.294518299,-3.0375259969,0.0,-0.0269638635,GGA,C2/m,A3B5C10D2_mC40_12_ai_d2i_i2j_i:Cl-Nd-O-Te,20.0,"Invalid WP multiplicities - A3B5C10D2_mC40_12_ai_c4i_2i7j_i:Cl-Nd-O-Te, expected Nd9Te2Cl3O32 to be Nd5Te2Cl3O10" +mp-1018818,NdTeCl,-5.4192629083,-2.1659329131,0.0094095681,0.0094095681,GGA,P4/nmm,ABC_tP6_129_a_c_c:Cl-Nd-Te,6.0,ABC_tP6_129_a_c_c:Cl-Nd-Te +mp-683957,Nd4CuTe5(ClO5)3,-6.6190151046,-2.3820770148,0.0,-0.0402638497,GGA,C2,A3BC4D15E5_mC112_5_3c_c_ab3c_15c_5c:Cl-Cu-Nd-O-Te,56.0,"Invalid WP multiplicities - A3BC4D15E5_mC112_5_4c_c_ab6c_29c_10c:Cl-Cu-Nd-O-Te, expected Nd7CuTe10Cl4O29 to be Nd4CuTe5(ClO5)3" +mp-545344,NdTe2ClO5,-6.2524077156,-2.0705477783,0.1050765392,0.1050765392,GGA,P4/mmm,ABC5D2_tP9_123_b_a_ci_h:Cl-Nd-O-Te,9.0,"Invalid WP multiplicities - ABC5D2_tP9_123_b_a_c2i_h:Cl-Nd-O-Te, expected NdTe2ClO9 to be NdTe2ClO5" +mp-1209860,Nd2CuTe2O,-4.8610980733,-0.7162977345,1.3506522531,1.3506522531,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-Nd-O-Te,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-Nd-O-Te +mp-23129,Ba2Cu3(BrO2)2,-5.3543788582000005,-1.8063441859,0.0,-0.0020696881,GGA,I4/mmm,A2B2C3D4_tI22_139_e_d_ac_h:Ba-Br-Cu-O,11.0,A2B2C3D4_tI22_139_e_d_ac_h:Ba-Br-Cu-O +mp-6496,Ba2Na(CuO2)3,-5.7190876571,-1.7909020362,0.0,-0.0107496517,GGA,Fmmm,A2B3CD6_oF96_69_fg_hm_i_np:Ba-Cu-Na-O,24.0,"Invalid WP multiplicities - A2B3CD6_oF96_69_fg_hm_i_2n3p:Ba-Cu-Na-O, expected Ba2NaCu3O16 to be Ba2Na(CuO2)3" +mp-1147529,Ba4Cu3BrO6,-5.6854633414,-2.0278433152,0.1309097807,0.1309097807,GGA,Im-3m,A4BC3D6_cI28_229_c_a_b_d:Ba-Br-Cu-O,14.0,A4BC3D6_cI28_229_c_a_b_d:Ba-Br-Cu-O +mp-552934,Ba2CuBrO2,-5.61088331,-2.3802895929,0.0,-0.0665858546,GGA,R-3m,A2BCD2_hR18_166_c_a_b_c:Ba-Br-Cu-O,6.0,A2BCD2_hR18_166_c_a_b_c:Ba-Br-Cu-O +mp-1147772,BaNaCuBrO2,-5.0107791967,-1.879593754,0.0825868819,0.0825868819,GGA,P4mm,ABCDE2_tP6_99_a_b_b_a_c:Ba-Br-Cu-Na-O,6.0,ABCDE2_tP6_99_a_b_b_a_c:Ba-Br-Cu-Na-O +mp-862331,La2CuRu,-5.9910313075,-0.1796254525,0.0516998809,0.0516998809,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-La-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-La-Ru +mp-636476,SrCu3(RuO3)4,-6.992742549,-1.4704931411,0.0191129923,0.0191129923,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ru-Sr,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ru-Sr +mp-677659,SrLaCuRuO6,-7.2982149704,-2.3302907668,0.0237333382,0.0237333382,GGA,P1,ABC6DE_aP70_1_7a_7a_42a_7a_7a:Cu-La-O-Ru-Sr,70.0,ABC6DE_aP70_1_7a_7a_42a_7a_7a:Cu-La-O-Ru-Sr +mp-1173178,SrLaCuRuO6,-7.3032488945,-2.3353246909,0.0186994142,0.0186994142,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Cu-La-O-Ru-Sr,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_11a_a_a:Cu-La-O-Ru-Sr, expected SrLaCuRuO11 to be SrLaCuRuO6" +mp-1218695,Sr2La2CuRuO8,-7.419987345,-2.691550201,0.0822468692,0.0822468692,GGA,P4/mmm,AB2C8DE2_tP14_123_a_h_efgh_d_g:Cu-La-O-Ru-Sr,14.0,"Invalid WP multiplicities - AB2C8DE2_tP14_123_a_h_e2fg2h_d_g:Cu-La-O-Ru-Sr, expected Sr2La2CuRuO12 to be Sr2La2CuRuO8" +mp-680690,LaCu3(RuO3)4,-7.2546607585,-1.570085668,0.0322422347,0.0322422347,GGA,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-La-O-Ru,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-La-O-Ru +mp-1173638,Sr10Cu(RuO5)4,-6.9300075246,-2.4435639363,0.0148285189,0.0148285189,GGA,I4/m,AB20C4D10_tI70_87_a_ce2hi_h_ei:Cu-O-Ru-Sr,35.0,"Invalid WP multiplicities - AB20C4D10_tI70_87_a_2c2e6h3i_h_2e3i:Cu-O-Ru-Sr, expected Sr28Cu(RuO14)4 to be Sr10Cu(RuO5)4" +mp-1173222,Sr3LaCuRuO8,-7.0532326429,-2.5566893311000003,0.0425780809,0.0425780809,GGA,Cm,ABC8DE3_mC28_8_a_a_4a2b_a_3a:Cu-La-O-Ru-Sr,14.0,"Invalid WP multiplicities - ABC8DE3_mC28_8_a_a_4a4b_a_3a:Cu-La-O-Ru-Sr, expected Sr3LaCuRuO12 to be Sr3LaCuRuO8" +mp-1218344,Sr3LaCuRuO8,-7.05459511,-2.5580517982,0.0412156138,0.0412156138,GGA,Amm2,ABC8DE3_oC28_38_a_a_2a2bf_b_a2b:Cu-La-O-Ru-Sr,14.0,ABC8DE3_oC28_38_a_a_2a2bf_b_a2b:Cu-La-O-Ru-Sr +mp-1520652,BaSmEuBiO6,-7.8482572675,-2.8067388402,0.0772824505,0.0772824505,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Eu-O-Sm,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Eu-O-Sm, expected BaSmEuBiO12 to be BaSmEuBiO6" +mp-1520619,BaSmEuBiO6,-7.746393526,-2.7048750988,0.179146192,0.179146192,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sm,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Sm +mp-677490,Li4Nd3SbTeO12,-6.9458159655,-2.7280680877,0.0121006832,0.0121006832,GGA,P1,A4B3C12DE_aP84_1_16a_12a_48a_4a_4a:Li-Nd-O-Sb-Te,84.0,A4B3C12DE_aP84_1_16a_12a_48a_4a_4a:Li-Nd-O-Sb-Te +mp-1046297,Sb5(TeO6)3,-6.1832129112,-1.6018544234,0.0966151766,0.0966151766,GGA,C2,A18B5C3_mC104_5_18c_ab4c_3c:O-Sb-Te,52.0,"Invalid WP multiplicities - A18B5C3_mC104_5_36c_ab8c_4c:O-Sb-Te, expected Sb9(TeO9)4 to be Sb5(TeO6)3" +mp-759207,LiSb(TeO4)3,-5.9432052576,-1.5415519446,0.0300198776,0.0300198776,GGA,P1,AB12CD3_aP17_1_a_12a_a_3a:Li-O-Sb-Te,17.0,AB12CD3_aP17_1_a_12a_a_3a:Li-O-Sb-Te +mp-774910,LiSb(TeO4)3,-5.9435186588,-1.5418653458,0.0297064764,0.0297064764,GGA,P1,AB12CD3_aP17_1_a_12a_a_3a:Li-O-Sb-Te,17.0,AB12CD3_aP17_1_a_12a_a_3a:Li-O-Sb-Te +mp-761825,LiSb(TeO4)3,-5.9717782912,-1.5701249781,0.0014468441,0.0014468441,GGA,P2,AB12CD3_mP17_3_a_6e_d_abc:Li-O-Sb-Te,17.0,"Invalid WP multiplicities - AB12CD3_mP17_3_a_11e_b_acd:Li-O-Sb-Te, expected LiSbTe3O22 to be LiSb(TeO4)3" +mp-849732,LiSb(TeO4)3,-5.9650989988,-1.5634456858,0.0081261364,0.0081261364,GGA,P2,AB12CD3_mP17_3_a_6e_a_bcd:Li-O-Sb-Te,17.0,"Invalid WP multiplicities - AB12CD3_mP17_3_a_11e_a_bcd:Li-O-Sb-Te, expected LiSbTe3O22 to be LiSb(TeO4)3" +mp-1209168,SbTe3O8,-5.949310026,-1.5216076419,0.0596404167,0.0596404167,GGA,Ia-3,A8BC3_cI96_206_ce_a_d:O-Sb-Te,48.0,A8BC3_cI96_206_ce_a_d:O-Sb-Te +mp-653554,Sb2Te2O9,-6.1137717951,-1.5703246668,0.1042977014,0.0420965932,GGA,P2_1/c,A9B2C2_mP104_14_18e_4e_4e:O-Sb-Te,104.0,"Invalid WP multiplicities - A9B2C2_mP104_14_69e_13e_14e:O-Sb-Te, expected Sb13Te14O69 to be Sb2Te2O9" +mp-559894,Sb2Te2O9,-6.2180694965,-1.6746223682,0.0,-0.0622011083,GGA,P2_1/c,A9B2C2_mP104_14_18e_4e_4e:O-Sb-Te,104.0,"Invalid WP multiplicities - A9B2C2_mP104_14_67e_11e_8e:O-Sb-Te, expected Sb11Te8O67 to be Sb2Te2O9" +mp-1179598,Sb2Te2O9,-6.1520280636,-1.6085809353,0.066041433,0.0038403247,GGA,P2_1/c,A9B2C2_mP104_14_18e_4e_4e:O-Sb-Te,104.0,"Invalid WP multiplicities - A9B2C2_mP104_14_69e_13e_14e:O-Sb-Te, expected Sb13Te14O69 to be Sb2Te2O9" +mp-1179610,Sb2Te2O9,-6.1320482113,-1.588601083,0.0860212852,0.0238201769,GGA,P2_1/c,A9B2C2_mP104_14_18e_4e_4e:O-Sb-Te,104.0,"Invalid WP multiplicities - A9B2C2_mP104_14_69e_13e_14e:O-Sb-Te, expected Sb13Te14O69 to be Sb2Te2O9" +mp-1018814,NdSbTe,-5.3970720167,-1.3835871614,0.0,-0.1208542175,GGA,P4/nmm,ABC_tP6_129_c_a_c:Nd-Sb-Te,6.0,ABC_tP6_129_c_a_c:Nd-Sb-Te +mp-532789,Li6Nd6Sb(TeO8)3,-7.0168854944,-2.7083387498,0.0105935495,0.0105935495,GGA,C2/c,A6B6C24DE3_mC160_15_2e2f_2e2f_12f_a_bcd:Li-Nd-O-Sb-Te,80.0,"Invalid WP multiplicities - A6B6C24DE3_mC160_15_4e6f_4e7f_48f_a_bcd:Li-Nd-O-Sb-Te, expected Li16Nd18Sb(TeO32)3 to be Li6Nd6Sb(TeO8)3" +mp-753363,Li4Sb(TeO4)3,-5.820918249,-1.7931745029,0.0971065453,0.0971065453,GGA,P1,A4B12CD3_aP20_1_4a_12a_a_3a:Li-O-Sb-Te,20.0,A4B12CD3_aP20_1_4a_12a_a_3a:Li-O-Sb-Te +mp-776021,Li4Sb(TeO4)3,-5.84679273,-1.8190489839,0.0712320643,0.0712320643,GGA,P2,A4B12CD3_mP20_3_abcd_6e_a_bcd:Li-O-Sb-Te,20.0,"Invalid WP multiplicities - A4B12CD3_mP20_3_abcd_11e_a_bcd:Li-O-Sb-Te, expected Li4SbTe3O22 to be Li4Sb(TeO4)3" +mp-677627,Li3Nd3(TeO6)2,-7.0072061369,-2.7233017759,0.0,-0.0389198643,GGA,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Li-Nd-O-Te,80.0,A3B3C12D2_cI160_230_d_c_h_a:Li-Nd-O-Te +mp-973269,SbTeO3,-5.277056896,-0.8545822426,0.7018539886,0.7018539886,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sb-Te,5.0,A3BC_cP5_221_c_b_a:O-Sb-Te +mp-1173168,SrLaTaNiO6,-8.519509821,-3.1251551074,0.0213373633,0.0213373633,GGA+U,Cm,ABC6DE_mC100_8_5a_5a_10a10b_5a_5a:La-Ni-O-Sr-Ta,50.0,"Invalid WP multiplicities - ABC6DE_mC100_8_5a_5a_10a19b_5a_5a:La-Ni-O-Sr-Ta, expected Sr5La5Ta5Ni5O48 to be SrLaTaNiO6" +mp-1218145,SrLaTaNiO6,-8.480346079,-3.0859913654,0.0605011053,0.0605011053,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:La-Ni-O-Sr-Ta,20.0,ABC6DE_cF40_216_c_a_f_d_b:La-Ni-O-Sr-Ta +mp-1208931,Sr2ErCu2(BiO4)2,-6.398747166,-2.1721066989,0.1153731783,0.1153731783,GGA,I4/mmm,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Er-O-Sr,15.0,A2B2CD8E2_tI30_139_e_e_a_2eg_e:Bi-Cu-Er-O-Sr +mp-1208875,Sr2ErBiO6,-7.0248541615,-2.8781214501,0.0,-0.0568745075,GGA,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Bi-Er-O-Sr,20.0,ABC6D2_mP20_14_a_b_3e_e:Bi-Er-O-Sr +mp-1516666,BaDyNbSnO6,-8.043800948,-3.0121238538,0.1215048139,0.1215048139,GGA,P-1,ABCD6E_aP20_2_i_ah_be_6i_i:Ba-Dy-Nb-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_be_12i_i:Ba-Dy-Nb-O-Sn, expected BaDyNbSnO12 to be BaDyNbSnO6" +mp-1516561,BaDyNbSnO6,-8.041657233,-3.0099801387,0.1236485289,0.1236485289,GGA,P222,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Dy-Nb-O-Sn,40.0,ABCD6E_oP40_16_abcf_u_u_6u_degh:Ba-Dy-Nb-O-Sn +mp-1516760,BaDyNbSnO6,-8.004983599,-2.9733065048,0.1603221629,0.1603221629,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Nb-O-Sn,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ba-Dy-Nb-O-Sn +mp-1518090,NaSrZrNbO6,-8.355690911,-3.2215752426,0.0348750279,0.0348750279,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sr-Zr +mp-1519126,NaNdNb2O6,-8.541583917,-2.9442424097,0.1781503405,0.1781503405,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Na-Nb-Nd-O,10.0,AB2CD6_cF40_225_a_c_b_d:Na-Nb-Nd-O +mp-1518948,NaNdNb4O12,-8.9387500428,-3.0578524083,0.0975504298,0.0975504298,GGA,Cmmm,AB4CD12_oC36_65_a_m_c_efno:Na-Nb-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_65_a_m_c_2e2fno:Na-Nb-Nd-O, expected NaNdNb4O16 to be NaNdNb4O12" +mp-1220993,NaNdNb4O12,-8.9748151922,-3.0939175577,0.0614852804,0.0614852804,GGA,I4/mmm,AB4CD12_tI36_139_a_g_b_cdm:Na-Nb-Nd-O,18.0,AB4CD12_tI36_139_a_g_b_cdm:Na-Nb-Nd-O +mp-557447,Ba2Eu3Mn2(CuO6)2,-8.194639421,-2.4569411477,0.0149161412,0.0149161412,GGA+U,I4/mmm,A2B2C3D2E12_tI42_139_e_e_ae_e_2e2g:Ba-Cu-Eu-Mn-O,21.0,"Invalid WP multiplicities - A2B2C3D2E12_tI42_139_e_e_ae_e_4e6g:Ba-Cu-Eu-Mn-O, expected Ba2Eu3Mn2(CuO16)2 to be Ba2Eu3Mn2(CuO6)2" +mp-684705,CaLaMnMoO6,-8.4898815505,-2.826941085,0.0631495476,0.0631495476,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ca-La-Mn-Mo-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ca-La-Mn-Mo-O +mp-22983,LiAlCl4,-4.2307092733000005,-2.0559350506,0.0,-0.0330849267,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Al-Cl-Li,24.0,AB4C_mP24_14_e_4e_e:Al-Cl-Li +mp-556886,Li4Al3Ge3ClO12,-6.7490874654,-2.6642916517,0.000117743,0.000117743,GGA,P-43n,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Cl-Ge-Li-O,46.0,A3BC3D4E12_cP46_218_c_a_d_e_i:Al-Cl-Ge-Li-O +mp-1518683,SrNdZrTiO6,-8.743624166,-3.485527586,0.1508251715,0.1508251715,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Nd-O-Sr-Ti-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Nd-O-Sr-Ti-Zr +mp-1227168,CaZnFe(AsO5)2,-6.3841659973,-1.6828000892,0.1824395661,0.1824395661,GGA+U,P-1,A2BCD10E_aP15_2_i_b_c_5i_d:As-Ca-Fe-O-Zn,15.0,"Invalid WP multiplicities - A2BCD10E_aP15_2_i_b_c_7i_d:As-Ca-Fe-O-Zn, expected CaZnFe(AsO7)2 to be CaZnFe(AsO5)2" +mp-1196363,ZnFe2(AsO7)2,-5.9370000518,-0.8437545362000001,0.418273554,0.418273554,GGA+U,P2_1/c,A2B2C14D_mP38_14_e_e_7e_a:As-Fe-O-Zn,38.0,A2B2C14D_mP38_14_e_e_7e_a:As-Fe-O-Zn +mp-1203053,Zn2Fe3As3O26,-5.5856177718,-0.5702997554,0.5436887779,0.5436887779,GGA+U,Cm,A3B3C26D2_mC68_8_ab_ab_8a9b_2a:As-Fe-O-Zn,34.0,A3B3C26D2_mC68_8_ab_ab_8a9b_2a:As-Fe-O-Zn +mp-1042820,ZnFeAs2O7,-6.5853172875,-1.7057879594,0.0168968795,0.0168968795,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Fe-O-Zn,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Fe-O-Zn +mp-1041706,Zn3Fe3(AsO4)4,-6.5829628233,-1.6993940748,0.0345370376,0.0345370376,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Fe-O-Zn,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Fe-O-Zn, expected Zn3Fe3(As5O29)2 to be Zn3Fe3(AsO4)4" +mp-9571,Ca(ZnAs)2,-3.428630062,-0.65996528,0.0,-0.1309985541,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ca-Zn,5.0,A2BC2_hP5_164_d_a_d:As-Ca-Zn +mp-1200089,Ca2Zn4As4O17,-6.1018636589,-1.961850477,0.0561543623,0.0561543623,GGA,C2/c,A4B2C17D4_mC108_15_2f_f_e8f_2f:As-Ca-O-Zn,54.0,A4B2C17D4_mC108_15_2f_f_e8f_2f:As-Ca-O-Zn +mp-1047105,ZnFeAsO5,-6.5745198456,-1.684228998,0.0529055542,0.0529055542,GGA+U,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Fe-O-Zn,32.0,ABC5D_oP32_19_a_a_5a_a:As-Fe-O-Zn +mp-1194550,Ca21(Zn2As9)2,-4.1314160948,-1.0844229969,0.0,-0.0376828607,GGA,C2/m,A18B21C4_mC172_12_gh8i4j_3i9j_2ij:As-Ca-Zn,86.0,A18B21C4_mC172_12_gh8i4j_3i9j_2ij:As-Ca-Zn +mp-1367209,CaNd2Ti2Mn2O12,-8.5877961653,-3.0605764864,0.0706590717,0.0706590717,GGA+U,P1,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Mn-Nd-O-Ti,19.0,AB2C2D12E2_aP19_1_a_2a_2a_12a_2a:Ca-Mn-Nd-O-Ti +mp-41742,CaNdTiMnO6,-8.5879624015,-3.2368237126,0.0237226483,0.0237226483,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Mn-Nd-O-Ti,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Ca-Mn-Nd-O-Ti, expected CaNdTiMnO12 to be CaNdTiMnO6" +mp-1046620,Sr2TaAlCu2O7,-7.2068051823,-2.4523763604,0.37924331,0.37924331,GGA,P1,AB2C7D2E_aP26_1_2a_4a_14a_4a_2a:Al-Cu-O-Sr-Ta,26.0,AB2C7D2E_aP26_1_2a_4a_14a_4a_2a:Al-Cu-O-Sr-Ta +mp-1218074,TaAlCu,-6.7906726275,-0.2231525842,0.01491157,0.0075984221,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Cu-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Cu-Ta, expected Ta3(AlCu)2 to be TaAlCu" +mp-1218096,TaAlCu,-6.8055841975,-0.2380641542,0.0,-0.0073131479,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Cu-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Cu-Ta, expected Ta3(AlCu)2 to be TaAlCu" +mp-20921,Ba3MnNb2O9,-8.4376792663,-3.1282293601,0.0,-0.0382492443,GGA+U,P-3m1,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Mn-Nb-O,60.0,A3BC2D9_hP15_164_ad_b_d_ei:Ba-Mn-Nb-O +mp-1275240,Ba2MnNbO6,-8.2418142653,-2.9636740173,0.0032684717,0.0032684717,GGA+U,C2/c,A2BCD6_mC40_15_f_c_e_3f:Ba-Mn-Nb-O,40.0,"Invalid WP multiplicities - A2BCD6_mC40_15_f_c_e_15f:Ba-Mn-Nb-O, expected Ba2MnNbO30 to be Ba2MnNbO6" +mp-1272179,Ba2MnNbO6,-8.2424357345,-2.9642954865,0.0026470025,0.0026470025,GGA+U,Pnma,A2BCD6_oP40_62_d_c_c_4cd:Ba-Mn-Nb-O,40.0,"Invalid WP multiplicities - A2BCD6_oP40_62_d_c_c_16cd:Ba-Mn-Nb-O, expected Ba2MnNbO18 to be Ba2MnNbO6" +mp-1278534,Ba2MnNbO6,-8.240628975,-2.962488727,0.004453762,0.004453762,GGA+U,I4/mmm,A2BCD6_tI20_139_d_a_b_eh:Ba-Mn-Nb-O,20.0,A2BCD6_tI20_139_d_a_b_eh:Ba-Mn-Nb-O +mp-1278519,Ba2MnNbO6,-8.2304865725,-2.9523463245,0.0145961645,0.0145961645,GGA+U,I4_1/amd,A2BCD6_tI80_141_f_ab_e_2e2h:Ba-Mn-Nb-O,40.0,"Invalid WP multiplicities - A2BCD6_tI80_141_f_ab_e_3e10h:Ba-Mn-Nb-O, expected Ba2MnNbO23 to be Ba2MnNbO6" +mp-1228414,Ba2MnNbO6,-8.219613778,-2.94147353,0.025468959,0.025468959,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Nb-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Mn-Nb-O +mp-1523208,BaMnNb4O12,-9.0726659633,-2.9145284674000003,0.1250574485,0.1250574485,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ba-Mn-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ba-Mn-Nb-O, expected BaMnNb4O18 to be BaMnNb4O12" +mp-1523372,BaMnNb2O6,-8.790722978,-2.69434972,0.1957848395,0.1957848395,GGA+U,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Ba-Mn-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Ba-Mn-Nb-O +mp-1097455,TiMn2Nb,-5.7391408,3.3410661102,3.5451849394,3.5451849394,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Nb-Ti,4.0,A2BC_oI8_71_e_a_b:Mn-Nb-Ti +mp-1516399,BaTiMnNbO6,-8.750523913,-2.8747319574,0.1956779984,0.1956779984,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Mn-Nb-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Mn-Nb-O-Ti +mp-17167,Be3Cd4Si3TeO12,-6.6393697693,-2.5659209801,0.0,-0.0391162562,GGA,P-43n,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Cd-O-Si-Te,46.0,A3B4C12D3E_cP46_218_c_e_i_d_a:Be-Cd-O-Si-Te +mp-1204438,Cr6CuSi2(Pb5O17)2,-7.0471343594,-1.798417106,0.2151428608,0.2151428608,GGA+U,P-1,A6BC34D10E2_aP53_2_3i_a_17i_5i_i:Cr-Cu-O-Pb-Si,53.0,A6BC34D10E2_aP53_2_3i_a_17i_5i_i:Cr-Cu-O-Pb-Si +mp-19367,NaCr(SiO3)2,-8.0471723725,-2.8965382634,0.0,-0.0172589744,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cr-Na-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Cr-Na-O-Si +mp-1221145,NaCr12Si8ClO28,-8.6389599598,-2.6206107648,0.0,-0.0206302408,GGA+U,I4mm,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Cl-Cr-Na-O-Si,50.0,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Cl-Cr-Na-O-Si +mp-1400202,MgBiF5,-5.2775129179,-3.1349180582,0.101146685,0.101146685,GGA,Cc,AB5C_mC28_9_a_5a_a:Bi-F-Mg,14.0,"Invalid WP multiplicities - AB5C_mC28_9_a_8a_a:Bi-F-Mg, expected MgBiF8 to be MgBiF5" +mp-1323594,MgBiF5,-5.3037161896,-3.16112133,0.0749434132,0.0749434132,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Bi-F-Mg,28.0,AB5C_mP28_14_e_5e_e:Bi-F-Mg +mp-1361554,Ba2MgCuBi2F14,-5.3859979955,-3.1870419752,0.0454265054,0.0454265054,GGA,C2/c,A2B2CD14E_mC80_15_f_f_a_7f_e:Ba-Bi-Cu-F-Mg,40.0,"Invalid WP multiplicities - A2B2CD14E_mC80_15_f_f_c_24f_e:Ba-Bi-Cu-F-Mg, expected Ba2MgCuBi2F48 to be Ba2MgCuBi2F14" +mp-1210707,MgBi2F12,-4.4909683013,-2.3430345733,0.1329291967,0.1329291967,GGA,P-4m2,A2B12C_tP15_115_g_2gl_a:Bi-F-Mg,15.0,"Invalid WP multiplicities - A2B12C_tP15_115_g_2g2l_a:Bi-F-Mg, expected MgBi2F20 to be MgBi2F12" +mp-1383723,MgBiF6,-5.03373284,-2.9200274669,0.0153664006,0.0153664006,GGA,R-3,AB6C_hR24_148_a_f_b:Bi-F-Mg,8.0,AB6C_hR24_148_a_f_b:Bi-F-Mg +mp-1041248,BaMgBiF7,-5.5666305758,-3.4926208865,0.0422362258,0.0422362258,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Bi-F-Mg,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Bi-F-Mg, expected BaMgBiF23 to be BaMgBiF7" +mp-1412329,CaTi2F10,-6.6706686023,-3.8313321724,0.0323339346,0.0323339346,GGA,C2,AB10C2_mC26_5_a_ab4c_c:Ca-F-Ti,13.0,AB10C2_mC26_5_a_ab4c_c:Ca-F-Ti +mp-1041344,BaCaTiF7,-6.4606592685,-3.9406173076,0.0443920215,0.0443920215,GGA,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Ba-Ca-F-Ti,40.0,"Invalid WP multiplicities - ABC7D_mP40_14_e_e_23e_e:Ba-Ca-F-Ti, expected BaCaTiF23 to be BaCaTiF7" +mp-1045006,Ba2Ti2CuF14,-6.2460537711,-3.5887460801,0.0462165653,0.0462165653,GGA,C2/c,A2BC14D2_mC76_15_f_a_7f_f:Ba-Cu-F-Ti,38.0,"Invalid WP multiplicities - A2BC14D2_mC76_15_f_c_24f_f:Ba-Cu-F-Ti, expected Ba2Ti2CuF48 to be Ba2Ti2CuF14" +mp-1407767,CaTiF4,-6.4812743408,-3.5567730464,0.1870672412,0.1870672412,GGA,I4/mcm,AB4C_tI24_140_a_l_d:Ca-F-Ti,12.0,AB4C_tI24_140_a_l_d:Ca-F-Ti +mp-1345999,CaTiF5,-6.6618600236,-3.8820762044,0.026229645,0.026229645,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ca-F-Ti,28.0,AB5C_mP28_14_e_5e_e:Ca-F-Ti +mp-8395,CaTiF5,-6.6761998057,-3.8964159865,0.0118898629,0.0118898629,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ca-F-Ti,14.0,AB5C_mC28_15_e_e2f_c:Ca-F-Ti +mp-1380678,Ba2CaTi2CuF14,-6.318390252,-3.6936679516,0.1212477615,0.1212477615,GGA,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-Ti,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-Ti, expected Ba2CaTi2CuF48 to be Ba2CaTi2CuF14" +mp-1390902,CaTiF6,-6.6361318587,-3.964886146,0.008518475,-0.0598760506,GGA,R-3,AB6C_hR24_148_a_f_b:Ca-F-Ti,8.0,AB6C_hR24_148_a_f_b:Ca-F-Ti +mp-27315,CaTiF6,-6.6446503337,-3.973404621,0.0,-0.0683945256,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ca-F-Ti,8.0,AB6C_cF32_225_a_e_b:Ca-F-Ti +mp-1213846,Cs2CeTa6(Br5O)3,-5.9298040435,-1.5962466079,0.2795738164,0.2795738164,GGA,P-31c,A15BC2D3E6_hP54_163_h2i_c_f_h_i:Br-Ce-Cs-O-Ta,54.0,A15BC2D3E6_hP54_163_h2i_c_f_h_i:Br-Ce-Cs-O-Ta +mp-756323,Li2CuAsO4,-5.8317617613,-1.7863960546,0.0949564687,0.0949564687,GGA,P2_1,ABC2D4_mP16_4_a_a_2a_4a:As-Cu-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_4_a_a_3a_7a:As-Cu-Li-O, expected Li3CuAsO7 to be Li2CuAsO4" +mp-769254,Li2CuAsO4,-5.8273065306,-1.781940824,0.0994116993,0.0994116993,GGA,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:As-Cu-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_13e:As-Cu-Li-O, expected Li3CuAsO13 to be Li2CuAsO4" +mp-769204,Li7CuAs4ClO14,-5.9053173041,-1.9349351198,0.0804786853,0.0804786853,GGA,Cc,A4BCD7E14_mC108_9_4a_a_a_7a_14a:As-Cl-Cu-Li-O,54.0,"Invalid WP multiplicities - A4BCD7E14_mC108_9_4a_a_a_12a_26a:As-Cl-Cu-Li-O, expected Li12CuAs4ClO26 to be Li7CuAs4ClO14" +mp-769256,Li4Cu4Cl10O,-3.8475546303,-1.3494191851,0.0839252829,0.0839252829,GGA,C2/c,A10B4C4D_mC76_15_2e4f_2f_2f_e:Cl-Cu-Li-O,38.0,"Invalid WP multiplicities - A10B4C4D_mC76_15_3e16f_7f_3f_e:Cl-Cu-Li-O, expected Li6Cu14Cl35O to be Li4Cu4Cl10O" +mp-21535,Mn4Be3Ge3SeO12,-7.7134770039,-2.2964526847,0.0,-0.0209835674,GGA+U,P-43n,A3B3C4D12E_cP46_218_c_d_e_i_a:Be-Ge-Mn-O-Se,46.0,A3B3C4D12E_cP46_218_c_d_e_i_a:Be-Ge-Mn-O-Se +mp-770881,Mn2BeO4,-8.2652781564,-2.2866784001,0.0390930281,0.0390930281,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:Be-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_2a2c_7c2d:Be-Mn-O, expected Mn4BeO11 to be Mn2BeO4" +mp-1193942,NaTb(SiO3)2,-7.984982164,-3.3362161919,0.0,-0.0169144686,GGA,P-1,AB6C2D_aP30_2_bi_9i_3i_ci:Na-O-Si-Tb,30.0,AB6C2D_aP30_2_bi_9i_3i_ci:Na-O-Si-Tb +mp-1385211,NaTb(SiO3)2,-3.743875532,0.9048904401,4.241106632,4.2241921634,GGA,P-1,AB6C2D_aP30_2_bi_9i_3i_di:Na-O-Si-Tb,30.0,AB6C2D_aP30_2_bi_9i_3i_di:Na-O-Si-Tb +mp-1198731,NaTb(SiO3)2,-7.9835575565,-3.3347915844,0.0014246075,-0.0154898611,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Na-O-Si-Tb,40.0,AB6C2D_mP40_14_e_6e_2e_e:Na-O-Si-Tb +mp-1516565,SrCaCeCoO6,-7.313299693,-2.6716364379,0.1784502707,0.1784502707,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Co-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Ce-Co-O-Sr +mp-17738,Sr2Cu(SeO3)3,-6.083329687,-1.9175879263,0.00524715,0.00524715,GGA,P-1,AB9C3D2_aP30_2_i_9i_3i_2i:Cu-O-Se-Sr,30.0,"Invalid WP multiplicities - AB9C3D2_aP30_2_i_9i_5i_2i:Cu-O-Se-Sr, expected Sr2CuSe5O9 to be Sr2Cu(SeO3)3" +mp-1193551,SrCu2Se2(ClO3)2,-5.4039770912,-1.5380589884,0.0010115338,0.0010115338,GGA,P2_1,A2B2C6D2E_mP26_4_2a_2a_6a_2a_a:Cl-Cu-O-Se-Sr,26.0,A2B2C6D2E_mP26_4_2a_2a_6a_2a_a:Cl-Cu-O-Se-Sr +mp-1147580,Sr2CuSeO2,-5.6123493967,-2.1344356505,0.0496326392,0.0496326392,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:Cu-O-Se-Sr,6.0,AB2CD2_tP6_123_b_e_a_h:Cu-O-Se-Sr +mp-1516806,SrCu(SeO3)4,-5.4457132633,-1.0494571206,0.3897804915,0.3897804915,GGA,Amm2,AB12C4D_oC36_38_a_2cdef_f_b:Cu-O-Se-Sr,18.0,"Invalid WP multiplicities - AB12C4D_oC36_38_a_3c2d2ef_f_b:Cu-O-Se-Sr, expected SrCu(Se2O9)2 to be SrCu(SeO3)4" +mp-1193439,Sr2CuSe2(ClO3)2,-5.6649088381,-1.9843532904,0.0238548346,0.0238548346,GGA,P2_1/c,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Cu-O-Se-Sr,26.0,A2BC6D2E2_mP26_14_e_a_3e_e_e:Cl-Cu-O-Se-Sr +mp-1516683,NaSrCeMnO6,-7.360026108,-2.5813005619,0.1308786205,0.1308786205,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ce-Mn-Na-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ce-Mn-Na-O-Sr +mp-1228751,Ba6Pr2Co4O15,-7.0984460744,-2.5166215189,0.001901466,0.001901466,GGA+U,P1,A6B4C15D2_aP54_1_12a_8a_30a_4a:Ba-Co-O-Pr,54.0,A6B4C15D2_aP54_1_12a_8a_30a_4a:Ba-Co-O-Pr +mp-1522515,BaSrPrCoO6,-6.9837983985,-2.4660159774,0.1334881464,0.1334881464,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Co-O-Pr-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Co-O-Pr-Sr, expected BaSrPrCoO12 to be BaSrPrCoO6" +mp-1522711,BaSrPrCoO6,-6.953299806,-2.4355173849,0.1639867389,0.1639867389,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Co-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Co-O-Pr-Sr +mp-1228481,Ba2Pr2Co4O11,-7.3616886158,-2.2960776477,0.0384370307,0.0384370307,GGA+U,Pmmm,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Pr,19.0,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Pr +mp-1228571,Ba2Pr2Co4O11,-7.3701043163,-2.3044933482,0.0300213302,0.0300213302,GGA+U,I4/mmm,A2B4C11D2_tI38_139_d_2e_aem_c:Ba-Co-O-Pr,19.0,"Invalid WP multiplicities - A2B4C11D2_tI38_139_d_4e_aem_c:Ba-Co-O-Pr, expected Ba2Pr2Co8O11 to be Ba2Pr2Co4O11" +mp-22751,BaPr(CoO3)2,-7.252781746,-2.1931168907,0.0867608315,0.0867608315,GGA+U,P4/mmm,AB2C6D_tP10_123_c_g_abi_d:Ba-Co-O-Pr,10.0,AB2C6D_tP10_123_c_g_abi_d:Ba-Co-O-Pr +mp-2222270,BaPr(CoO3)2,-7.258119795,-2.1984549397,0.0814227825,0.0814227825,GGA+U,P4mm,AB2C6D_tP10_99_a_2b_2b2c_a:Ba-Co-O-Pr,10.0,AB2C6D_tP10_99_a_2b_2b2c_a:Ba-Co-O-Pr +mp-1229013,Ba2Pr3(CoO3)5,-7.3650613372,-2.2481578657,0.0769671664,0.0769671664,GGA+U,P-1,A2B5C15D3_aP50_2_2i_5i_bh14i_cd2i:Ba-Co-O-Pr,50.0,"Invalid WP multiplicities - A2B5C15D3_aP50_2_3i_10i_bh28i_cd3i:Ba-Co-O-Pr, expected Ba3Pr4Co10O29 to be Ba2Pr3(CoO3)5" +mp-1228513,Ba4Pr4Co8O23,-7.3077625215,-2.2452008421,0.0654199468,0.0654199468,GGA+U,P4/mmm,A4B8C23D4_tP39_123_j_ghi_abcefst_k:Ba-Co-O-Pr,39.0,A4B8C23D4_tP39_123_j_ghi_abcefst_k:Ba-Co-O-Pr +mp-1517982,BaZrInSbO6,-7.290854897,-2.5881056162,0.1761591841,0.1761591841,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Sb-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Sb-Zr +mp-667372,Ba8Zr3(SbO6)4,-7.5096803721,-2.9909256172000003,0.0,-0.0229951597,GGA,I4/mmm,A8B24C4D3_tI78_139_m_2egijn_ce_ad:Ba-O-Sb-Zr,39.0,"Invalid WP multiplicities - A8B24C4D3_tI78_139_m_4e2g3i3j5n_ce_ad:Ba-O-Sb-Zr, expected Ba8Zr3(SbO20)4 to be Ba8Zr3(SbO6)4" +mp-1228073,Ba2ZrInO6,-7.393420989,-2.9116743383,0.0292480234,0.0292480234,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Zr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-In-O-Zr +mp-1094015,ZrIn2O5,-7.4083047175,-2.5602407617000003,0.1188257006,0.1188257006,GGA,Pnma,A2B5C_oP32_62_2c_5c_c:In-O-Zr,32.0,A2B5C_oP32_62_2c_5c_c:In-O-Zr +mp-1102859,Pr3(MnSn)4,-6.3778429473,-0.2842915061,0.1701651185,0.1701651185,GGA,Immm,A4B3C4_oI22_71_n_af_eh:Mn-Pr-Sn,11.0,A4B3C4_oI22_71_n_af_eh:Mn-Pr-Sn +mp-1196809,Pr(MnSn)6,-6.5628942687,-0.1159382197,0.0402172449,0.0402172449,GGA,Immm,A6BC6_oI78_71_hkno_af_3e3fgn:Mn-Pr-Sn,39.0,A6BC6_oI78_71_hkno_af_3e3fgn:Mn-Pr-Sn +mp-1219944,Pr2MnSn4,-5.4429468614,-0.476930544,0.071542226,0.071542226,GGA,Amm2,AB2C4_oC14_38_a_ab_2a2b:Mn-Pr-Sn,7.0,AB2C4_oC14_38_a_ab_2a2b:Mn-Pr-Sn +mp-1106008,SmFe4(CuO4)3,-7.1634112085,-1.6505834325,0.0243060464,0.0243060464,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Sm,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Sm +mp-1219117,SmFeCu,-5.7741141017,-0.01150943,0.1272046392,0.1272046392,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cu-Fe-Sm,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cu-Fe-Sm, expected Sm3(FeCu)2 to be SmFeCu" +mp-1214324,BaSmFeCuO5,-7.33574567,-2.4534976132,0.0,-0.0057192466,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Sm,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Sm +mp-756169,Li3Cu(NiO2)4,-5.9175865187,-1.3850845387,0.0317139354,0.0317139354,GGA+U,C2/m,AB3C4D8_mC32_12_a_df_bce_2ij:Cu-Li-Ni-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_c2e_bdf_3i2j:Cu-Li-Ni-O, expected Li5Cu(Ni2O7)2 to be Li3Cu(NiO2)4" +mp-757744,Li4Cu3Ni3(TeO8)2,-5.8419294786,-1.4595240256,0.0139455415,0.0139455415,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Ni-O-Te, expected Li4Cu3Ni3(TeO10)2 to be Li4Cu3Ni3(TeO8)2" +mp-887906,Li5Cu2Ni3O10,-3.0968205055,1.1306957358,2.6103592265,2.6103592265,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_di_5i:Cu-Li-Ni-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_di_9i:Cu-Li-Ni-O, expected Li9Cu2(NiO6)3 to be Li5Cu2Ni3O10" +mp-756021,Li5Cu2Ni3O10,-5.675932093,-1.4484158517,0.031247639,0.031247639,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_di_5i:Cu-Li-Ni-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_di_9i:Cu-Li-Ni-O, expected Li9Cu2(NiO6)3 to be Li5Cu2Ni3O10" +mp-1376614,Li5Cu2Ni3O10,-4.612024213,-0.3845079717,1.095155519,1.095155519,GGA+U,P-1,A2B5C3D10_aP20_2_i_b2i_ci_5i:Cu-Li-Ni-O,20.0,"Invalid WP multiplicities - A2B5C3D10_aP20_2_i_b4i_ci_9i:Cu-Li-Ni-O, expected Li9Cu2(NiO6)3 to be Li5Cu2Ni3O10" +mp-756343,Li3Cu4NiO8,-5.5296014319,-1.3122738288,0.0464084066,0.0464084066,GGA+U,C2/m,A4B3CD8_mC32_12_ade_bf_c_2ij:Cu-Li-Ni-O,16.0,"Invalid WP multiplicities - A4B3CD8_mC32_12_ace_b2f_d_3i2j:Cu-Li-Ni-O, expected Li5Cu4NiO14 to be Li3Cu4NiO8" +mp-861850,Li3CuNi3O8,-5.7707826687,-1.3214563353,0.0331584055,0.0331584055,GGA+U,P-1,AB3C3D8_aP15_2_d_bfg_ace_4i:Cu-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_aP15_2_d_bfg_ace_8i:Cu-Li-Ni-O, expected Li3CuNi3O16 to be Li3CuNi3O8" +mp-868007,Li3CuNi3O8,-5.7303945453,-1.281068212,0.0735465288,0.0735465288,GGA+U,R-3m,AB3C3D8_hR45_166_a_d_e_ch:Cu-Li-Ni-O,15.0,"Invalid WP multiplicities - AB3C3D8_hR45_166_a_d_e_2c2h:Cu-Li-Ni-O, expected Li3CuNi3O16 to be Li3CuNi3O8" +mp-770841,Li5Cu5(NiO6)2,-5.4926134617,-1.2858973959,0.12657081,0.12657081,GGA+U,C2,A5B5C2D12_mC48_5_a2bc_a2c_ab_6c:Cu-Li-Ni-O,24.0,"Invalid WP multiplicities - A5B5C2D12_mC48_5_a2bc_a4c_ab_6c:Cu-Li-Ni-O, expected Li9Cu5(NiO6)2 to be Li5Cu5(NiO6)2" +mp-1225905,Cu2NiTeO6,-5.8669647513,-1.1867659332,0.0380416087,0.0380416087,GGA+U,I2_12_12_1,A2BC6D_oI80_24_ab2c_ab_6d_d:Cu-Ni-O-Te,40.0,A2BC6D_oI80_24_ab2c_ab_6d_d:Cu-Ni-O-Te +mp-752986,Li4CuNi3O8,-5.7594868388,-1.4689357221,0.0178392519,0.0178392519,GGA+U,C2/m,AB4C3D8_mC32_12_a_cde_bf_2ij:Cu-Li-Ni-O,16.0,AB4C3D8_mC32_12_a_cdf_be_2ij:Cu-Li-Ni-O +mp-1177736,Li3Cu2Ni5O12,-5.8486170474,-1.2037929622,0.045148752,0.045148752,GGA+U,P1,A2B3C5D12_aP66_1_6a_9a_15a_36a:Cu-Li-Ni-O,66.0,A2B3C5D12_aP66_1_6a_9a_15a_36a:Cu-Li-Ni-O +mp-773166,Li5Cu3(NiO5)2,-5.531563585,-1.3880938442,0.0820876688,0.0820876688,GGA+U,P-1,A3B5C2D10_aP20_2_bi_d2i_i_5i:Cu-Li-Ni-O,20.0,"Invalid WP multiplicities - A3B5C2D10_aP20_2_bi_d4i_i_9i:Cu-Li-Ni-O, expected Li9Cu3(NiO9)2 to be Li5Cu3(NiO5)2" +mp-849405,Li4Cu2Ni5O12,-5.845365152,-1.3194932936,0.0282883207,0.0282883207,GGA+U,P2_1,A2B4C5D12_mP46_4_2a_4a_5a_12a:Cu-Li-Ni-O,46.0,"Invalid WP multiplicities - A2B4C5D12_mP46_4_3a_8a_10a_24a:Cu-Li-Ni-O, expected Li8Cu3(Ni5O12)2 to be Li4Cu2Ni5O12" +mp-754458,Li3Cu(NiO3)2,-5.6970389717,-1.4415072302,0.0413169197,0.0413169197,GGA+U,C2/m,AB3C2D6_mC24_12_a_ci_i_3i:Cu-Li-Ni-O,12.0,"Invalid WP multiplicities - AB3C2D6_mC24_12_a_di_i_5i:Cu-Li-Ni-O, expected Li3Cu(NiO5)2 to be Li3Cu(NiO3)2" +mp-754449,Li5Cu2Ni5O12,-5.83986582,-1.423033503,0.0131396471,0.0131396471,GGA+U,C2,A2B5C5D12_mC48_5_ab_a2c_a2bc_6c:Cu-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B5C5D12_mC48_5_ab_a4c_a2bc_6c:Cu-Li-Ni-O, expected Li9Cu2Ni5O12 to be Li5Cu2Ni5O12" +mp-755308,Li2CuNiO4,-5.6058222413,-1.4203292502,0.0545932517,0.0545932517,GGA+U,P2/m,AB2CD4_mP8_10_b_ch_d_mn:Cu-Li-Ni-O,8.0,"Invalid WP multiplicities - AB2CD4_mP8_10_b_ce_g_2m2n:Cu-Li-Ni-O, expected Li2CuNiO8 to be Li2CuNiO4" +mp-772597,Li2CuNiO4,-5.6389931275,-1.4535001365,0.0214223654,0.0214223654,GGA+U,C2/c,AB2CD4_mC32_15_c_ad_b_2f:Cu-Li-Ni-O,16.0,AB2CD4_mC32_15_c_ad_b_2f:Cu-Li-Ni-O +mp-756256,Li2CuNiO4,-5.5801409856,-1.3946479946,0.0802745073,0.0802745073,GGA+U,Imma,AB2CD4_oI32_74_a_bc_d_hi:Cu-Li-Ni-O,16.0,"Invalid WP multiplicities - AB2CD4_oI32_74_a_2b2c_d_4h3i:Cu-Li-Ni-O, expected Li4CuNiO14 to be Li2CuNiO4" +mp-754716,Li2CuNiO4,-5.6454823706,-1.4599893796,0.0149331223,0.0149331223,GGA+U,I-4m2,AB2CD4_tI16_119_a_bc_d_ef:Cu-Li-Ni-O,16.0,AB2CD4_tI16_119_a_bc_d_ef:Cu-Li-Ni-O +mp-1028026,Mg14ZnMo,-2.0599089094,0.0969232419,0.1335549448,0.1335549448,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-Zn, expected Mg18ZnMo to be Mg14ZnMo" +mp-1028005,Mg14ZnMo,-2.0678973056,0.0889348456,0.1255665485,0.1255665485,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-Zn, expected Mg26ZnMo to be Mg14ZnMo" +mp-1034944,SrMg14ZnO16,-6.1494419916,-2.8838114558,0.0929927839,0.0929927839,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sr-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sr-Zn, expected SrMg18ZnO20 to be SrMg14ZnO16" +mp-1034931,SrMg14ZnO16,-6.1487075581,-2.8830770224,0.0937272173,0.0937272173,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sr-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sr-Zn, expected SrMg30ZnO32 to be SrMg14ZnO16" +mp-1022658,SrMg6Zn,-1.5253876206,0.0434770498,0.1233442504,0.1233442504,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sr-Zn, expected SrMg12Zn to be SrMg6Zn" +mp-1022677,SrMg6Zn,-1.5423899131,0.0264747573,0.1063419579,0.1063419579,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sr-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sr-Zn, expected SrMg12Zn to be SrMg6Zn" +mp-1079971,Sr2ZnMoO6,-7.079760439,-2.5633091496,0.010877846,0.010877846,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Mo-O-Sr-Zn,10.0,AB6C2D_tI20_87_a_eh_d_b:Mo-O-Sr-Zn +mp-18829,Sr2ZnMoO6,-7.065349886,-2.5488985966,0.025288399,0.025288399,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mo-O-Sr-Zn,10.0,AB6C2D_cF40_225_a_e_c_b:Mo-O-Sr-Zn +mp-1037608,SrMg30ZnO32,-6.2435939664,-2.9740365082,0.0413857613,0.0413857613,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sr-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sr-Zn, expected SrMg110ZnO72 to be SrMg30ZnO32" +mp-1037598,SrMg30ZnO32,-6.2440227697,-2.9744653115,0.040956958,0.040956958,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sr-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sr-Zn, expected SrMg90ZnO80 to be SrMg30ZnO32" +mp-2233950,MgZn2(MoO4)2,-7.0425273615,-2.0129445015,0.118275249,0.118275249,GGA+U,P2,AB2C8D2_mP13_3_a_bd_4e_ac:Mg-Mo-O-Zn,13.0,AB2C8D2_mP13_3_a_bd_4e_ac:Mg-Mo-O-Zn +mp-2240644,Sr2MgZnMoO6,-6.7832858391,-2.531941026,0.0902528818,0.0902528818,GGA+U,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Mg-Mo-O-Sr-Zn,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Mg-Mo-O-Sr-Zn +mp-2240103,Sr2MgZnMoO6,-6.7059245055000005,-2.4545796923,0.1676142155,0.1676142155,GGA+U,P-1,ABC6D2E_aP11_2_a_d_3i_i_c:Mg-Mo-O-Sr-Zn,11.0,ABC6D2E_aP11_2_a_d_3i_i_c:Mg-Mo-O-Sr-Zn +mp-2222910,Sr2MgZnMoO6,-6.5763487464,-2.3250039333,0.2971899745,0.2971899745,GGA+U,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:Mg-Mo-O-Sr-Zn,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_4b_2a_a:Mg-Mo-O-Sr-Zn, expected Sr2MgZnMoO12 to be Sr2MgZnMoO6" +mp-2239862,Sr2MgZnMoO6,-6.5624479345,-2.3111031214,0.3110907864,0.3110907864,GGA+U,Immm,ABC6D2E_oI22_71_c_a_el_f_b:Mg-Mo-O-Sr-Zn,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_c_a_2e2l_f_b:Mg-Mo-O-Sr-Zn, expected Sr2MgZnMoO12 to be Sr2MgZnMoO6" +mp-2228177,MgZn2Mo3O8,-7.3781287957,-1.9331125607,0.098476512,0.098476512,GGA+U,P1,AB3C8D2_aP14_1_a_3a_8a_2a:Mg-Mo-O-Zn,14.0,AB3C8D2_aP14_1_a_3a_8a_2a:Mg-Mo-O-Zn +mp-2226510,MgZn2Mo3O8,-7.2964447357,-1.8514285007,0.180160572,0.180160572,GGA+U,P-1,AB3C8D2_aP14_2_a_ci_4i_i:Mg-Mo-O-Zn,14.0,"Invalid WP multiplicities - AB3C8D2_aP14_2_a_ci_5i_i:Mg-Mo-O-Zn, expected MgZn2Mo3O10 to be MgZn2Mo3O8" +mp-2227550,MgZn2Mo3O8,-7.2708621386,-1.8258459036,0.2057431691,0.2057431691,GGA+U,C2/m,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Mo-O-Zn,14.0,AB3C8D2_mC28_12_a_bh_2ij_i:Mg-Mo-O-Zn +mp-1032029,SrMg6ZnO8,-5.9656039731,-2.7078272823,0.1917408978,0.1917408978,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sr-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sr-Zn, expected SrMg6ZnO12 to be SrMg6ZnO8" +mp-1032034,SrMg6ZnO8,-5.9691076825,-2.7113309917,0.1882371884,0.1882371884,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sr-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sr-Zn, expected SrMg6ZnO12 to be SrMg6ZnO8" +mp-2230322,MgZn2(MoO3)4,-7.6071712784,-1.9828222129,0.1140344746,0.1140344746,GGA+U,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mo-O-Zn,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-Mo-O-Zn +mp-1028004,SrMg14Zn,-1.5543604844,0.0302118758,0.0832878772,0.0832878772,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-Zn, expected SrMg18Zn to be SrMg14Zn" +mp-1027997,SrMg14Zn,-1.5429560056,0.0416163546,0.094692356,0.094692356,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-Zn, expected SrMg26Zn to be SrMg14Zn" +mp-1022600,Mg6ZnMo,-2.5290091562,0.1843750963,0.2311765183,0.2311765183,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-Zn, expected Mg12ZnMo to be Mg6ZnMo" +mp-1022595,Mg6ZnMo,-2.5338958975,0.179488355,0.226289777,0.226289777,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-Zn, expected Mg12ZnMo to be Mg6ZnMo" +mp-1227737,Ca2ZrTi(GeO5)2,-8.0391086125,-3.0911501607,0.0086640426,0.0086640426,GGA,P-1,A2B2C10DE_aP16_2_i_i_5i_a_b:Ca-Ge-O-Ti-Zr,16.0,"Invalid WP multiplicities - A2B2C10DE_aP16_2_i_i_9i_a_b:Ca-Ge-O-Ti-Zr, expected Ca2ZrTi(GeO9)2 to be Ca2ZrTi(GeO5)2" +mp-730139,CaZrGeO5,-6.7151565719,-1.7264350817,1.4232054758,1.4232054758,GGA,P-1,ABC5D_aP16_2_i_i_5i_ac:Ca-Ge-O-Zr,16.0,ABC5D_aP16_2_i_i_5i_ac:Ca-Ge-O-Zr +mp-644295,CaZrGeO5,-8.1279948156,-3.1392733255,0.0103672321,0.0103672321,GGA,P-1,ABC5D_aP16_2_i_i_5i_ab:Ca-Ge-O-Zr,16.0,ABC5D_aP16_2_i_i_5i_ab:Ca-Ge-O-Zr +mp-1227190,Ca4ZrTi3(GeO5)4,-7.9956079906,-3.068031058,0.0068699682,0.0068699682,GGA,P-1,A4B4C20D3E_aP32_2_2i_2i_10i_bi_e:Ca-Ge-O-Ti-Zr,32.0,"Invalid WP multiplicities - A4B4C20D3E_aP32_2_3i_3i_19i_bi_e:Ca-Ge-O-Ti-Zr, expected Ca6ZrTi3(Ge3O19)2 to be Ca4ZrTi3(GeO5)4" +mp-1016616,Mg6CrSb,-2.8846761594,0.0382899669,0.190599149,0.190599149,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Sb, expected Mg12CrSb to be Mg6CrSb" +mp-1016623,Mg6CrSb,-2.8821119838,0.0408541425,0.1931633246,0.1931633246,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Sb, expected Mg12CrSb to be Mg6CrSb" +mp-1026481,Mg14CrSb,-2.2425622488,0.0190608394,0.1066443373,0.1066443373,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Sb, expected Mg18CrSb to be Mg14CrSb" +mp-1026489,Mg14CrSb,-2.2321343506,0.0294887375,0.1170722354,0.1170722354,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Sb, expected Mg26CrSb to be Mg14CrSb" +mp-1044947,LaMgCrSbO6,-7.5927794465,-2.5929326332,0.2176157523,0.2176157523,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Cr-La-Mg-O-Sb,20.0,"Invalid WP multiplicities - ABCD6E_mP20_7_a_a_a_12a_a:Cr-La-Mg-O-Sb, expected LaMgCrSbO12 to be LaMgCrSbO6" +mp-2230120,MgCr2(SbO3)4,-6.9509860168,-1.8571626229,0.2866036972,0.2866036972,GGA+U,P2,A2BC12D4_mP19_3_bc_a_6e_2b2c:Cr-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_3_ab_c_12e_2a2b:Cr-Mg-O-Sb, expected MgCr2(SbO6)4 to be MgCr2(SbO3)4" +mp-2231478,MgCr2(SbO3)4,-7.0058713416,-1.9120479476,0.2317183725,0.2317183725,GGA+U,P-4,A2BC12D4_tP19_81_g_a_3h_2g:Cr-Mg-O-Sb,19.0,"Invalid WP multiplicities - A2BC12D4_tP19_81_g_a_10h_4g:Cr-Mg-O-Sb, expected MgCr2(SbO5)8 to be MgCr2(SbO3)4" +mp-2218401,MgCr2(SbO4)2,-7.3442602454,-2.0567304638,0.2190099364,0.2190099364,GGA+U,Cm,A2BC8D2_mC26_8_b_a_4a2b_2a:Cr-Mg-O-Sb,13.0,A2BC8D2_mC26_8_b_a_4a2b_2a:Cr-Mg-O-Sb +mp-2218283,MgCr2(SbO4)2,-7.4007420762,-2.1132122946,0.1625281057,0.1625281057,GGA+U,C2/m,A2BC8D2_mC26_12_e_b_2ij_ac:Cr-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_f_b_3i2j_ac:Cr-Mg-O-Sb, expected MgCr2(SbO7)2 to be MgCr2(SbO4)2" +mp-2218517,MgCr2(SbO4)2,-7.32102109,-2.0334913085,0.2422490918,0.2422490918,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_e:Cr-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_4i3j_f:Cr-Mg-O-Sb, expected MgCr2(SbO10)2 to be MgCr2(SbO4)2" +mp-2218358,MgCr2(SbO4)2,-7.31762319,-2.0300934085,0.2456469918,0.2456469918,GGA+U,Imm2,A2BC8D2_oI26_44_c_a_2c2d_d:Cr-Mg-O-Sb,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_c_a_2c4d_d:Cr-Mg-O-Sb, expected MgCr2(SbO6)2 to be MgCr2(SbO4)2" +mp-2225952,MgCrSbO4,-7.03222942,-2.0080746193,0.3945242448,0.3945242448,GGA+U,Pm,ABC4D_mP7_6_a_a_2a2b_b:Cr-Mg-O-Sb,7.0,ABC4D_mP7_6_a_a_2a2b_b:Cr-Mg-O-Sb +mp-2222885,MgCrSbO4,-7.0264393243,-2.0022845236,0.4003143405,0.4003143405,GGA+U,P2/m,ABC4D_mP7_10_c_a_mn_e:Cr-Mg-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_a_c_2m2n_e:Cr-Mg-O-Sb, expected MgCrSbO8 to be MgCrSbO4" +mp-2227640,MgCrSbO4,-7.1521816814,-2.1280268807,0.2745719834,0.2745719834,GGA+U,P2/m,ABC4D_mP7_10_b_d_mn_c:Cr-Mg-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_c_e_2m2n_b:Cr-Mg-O-Sb, expected MgCrSbO8 to be MgCrSbO4" +mp-2223117,MgCrSbO4,-7.03099899,-2.0068441893,0.3957546748,0.3957546748,GGA+U,Imm2,ABC4D_oI14_44_a_a_2a2b_b:Cr-Mg-O-Sb,7.0,ABC4D_oI14_44_a_a_2a2b_b:Cr-Mg-O-Sb +mp-2225907,MgCrSbO4,-6.9978106143000005,-1.9736558136,0.4289430505,0.4289430505,GGA+U,Imm2,ABC4D_oI14_44_b_a_2a2b_a:Cr-Mg-O-Sb,7.0,ABC4D_oI14_44_b_a_2a2b_a:Cr-Mg-O-Sb +mp-1275594,Mg2CrSbO6,-7.1213970555,-2.4551229477,0.0857654553,0.0857654553,GGA+U,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Cr-Mg-O-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_2e_4e6f_c:Cr-Mg-O-Sb, expected Mg2CrSbO16 to be Mg2CrSbO6" +mp-1519425,SrEuHfTiO6,-9.593647947,-3.6457170902,0.04389421,0.04389421,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-Ti,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-Ti +mp-2217779,Ba2SmMgSbO6,-6.7646282555,-2.7677237489,0.2211334963,0.2211334963,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-Sb-Sm,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a3b_a_a:Ba-Mg-O-Sb-Sm, expected Ba2SmMgSbO8 to be Ba2SmMgSbO6" +mp-2217646,Ba2SmMgSbO6,-6.7573623109,-2.7604578043,0.2283994408,0.2283994408,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-Sb-Sm,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a3b_a_a:Ba-Mg-O-Sb-Sm, expected Ba2SmMgSbO8 to be Ba2SmMgSbO6" +mp-2240989,Ba2SmMgSbO6,-6.4916115845,-2.494707078,0.4941501672,0.4941501672,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Sb-Sm,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Sb-Sm, expected Ba2SmMgSbO12 to be Ba2SmMgSbO6" +mp-1068052,Sm(MgSb)2,-3.937082354,-0.7016526110000001,0.0305390505,0.0305390505,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Mg-Sb-Sm,5.0,A2B2C_hP5_164_d_d_a:Mg-Sb-Sm +mp-1219371,Sm3Mg21Sb16,-3.389143483,-0.5435020006,0.0099731963,0.0099731963,GGA,P-3m1,A21B16C3_hP40_164_a2c8d_8d_bc:Mg-Sb-Sm,40.0,"Invalid WP multiplicities - A21B16C3_hP40_164_a2c16d_16d_b2c:Mg-Sb-Sm, expected Sm5Mg37Sb32 to be Sm3Mg21Sb16" +mp-1234711,Sm6Mg(Sb5O12)2,-7.1384227337,-2.5061705793,0.1321831754,0.1321831754,GGA,I-43m,AB24C10D6_cI82_217_a_2g_ce_d:Mg-O-Sb-Sm,41.0,AB24C10D6_cI82_217_a_2g_ce_d:Mg-O-Sb-Sm +mp-1208793,SmMg5Sb4,-3.501928573,-0.5783294385000001,0.0108890514,0.0108890514,GGA,P-3m1,A5B4C_hP10_164_a2d_2d_b:Mg-Sb-Sm,10.0,A5B4C_hP10_164_a2d_2d_b:Mg-Sb-Sm +mp-1226180,CrSnSbO6,-7.4013655939,-2.1267263903,0.0,-0.0102193008,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Sn,36.0,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-Sn +mp-755860,Li4Cr3Sn3(SbO8)2,-6.9968731286,-2.1387098678,0.064117825,0.064117825,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Sb-Sn,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Cr-Li-O-Sb-Sn, expected Li4Cr3Sn3(SbO10)2 to be Li4Cr3Sn3(SbO8)2" +mp-771431,Cr3Sn3(SbO8)2,-7.3385192279,-1.9888159015,0.1258387985,0.1258387985,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Sb-Sn,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Sb-Sn +mp-755599,Cr3Sn3(SbO8)2,-7.3310239238,-1.9813205973,0.1333341027,0.1333341027,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Cr-O-Sb-Sn,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Cr-O-Sb-Sn, expected Cr3Sn3(SbO10)2 to be Cr3Sn3(SbO8)2" +mp-772926,Cr3Sn2Sb3O16,-7.3495182525,-1.9948387017,0.1303549745,0.1303549745,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Cr-O-Sb-Sn,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Cr-O-Sb-Sn, expected Cr3Sn2Sb3O20 to be Cr3Sn2Sb3O16" +mp-21433,TbTiGe,-6.40184573,-0.6842170728,0.0,-0.0169667373,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ge-Tb-Ti,6.0,ABC_tP6_129_c_c_a:Ge-Tb-Ti +mp-10078,TbTiGe,-6.3794178167,-0.6617891594,0.0224279133,0.0054611761,GGA,I4/mmm,ABC_tI12_139_e_e_c:Ge-Tb-Ti,6.0,ABC_tI12_139_e_e_c:Ge-Tb-Ti +mp-21712,Tb2Ti3Ge4,-6.5119564369,-0.7955875847,0.0,-0.0220849571,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Ge-Tb-Ti,36.0,"Invalid WP multiplicities - A4B2C3_oP36_62_2cd_d_2c3d:Ge-Tb-Ti, expected Tb(Ti2Ge)2 to be Tb2Ti3Ge4" +mp-1206960,Tb2TiGe2,-4.700202028,0.5818539573,1.3622623185,1.3622623185,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ge-Tb-Ti,5.0,A2B2C_tP5_123_g_g_a:Ge-Tb-Ti +mp-1229069,Al3Tl4Fe(As2O7)4,-6.5912559861,-1.9335843397,0.0,-0.0256811777,GGA+U,P1,A3B8CD28E4_aP44_1_3a_8a_a_28a_4a:Al-As-Fe-O-Tl,44.0,A3B8CD28E4_aP44_1_3a_8a_a_28a_4a:Al-As-Fe-O-Tl +mp-1351504,Al3Tl4Fe(As2O7)4,-5.8777003636,-1.2200287172,0.7135556225,0.6878744448,GGA+U,P1,A3B8CD28E4_aP44_1_3a_8a_a_28a_4a:Al-As-Fe-O-Tl,44.0,A3B8CD28E4_aP44_1_3a_8a_a_28a_4a:Al-As-Fe-O-Tl +mp-1176820,LiCaFe3SnO8,-7.2870519664,-2.0793614006,0.0437674198,0.0437674198,GGA+U,P2_1,AB3CD8E_mP56_4_2a_6a_2a_16a_2a:Ca-Fe-Li-O-Sn,56.0,"Invalid WP multiplicities - AB3CD8E_mP56_4_2a_11a_2a_32a_3a:Ca-Fe-Li-O-Sn, expected Li2Ca2Fe11Sn3O32 to be LiCaFe3SnO8" +mp-756675,Li5Fe3(SnO5)2,-6.6235113845,-2.0014759452,0.0192635036,0.0192635036,GGA+U,P-1,A3B5C10D2_aP20_2_bi_e2i_5i_i:Fe-Li-O-Sn,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_e4i_9i_i:Fe-Li-O-Sn, expected Li9Fe3(SnO9)2 to be Li5Fe3(SnO5)2" +mp-757592,LiCa3Fe5Sn3O16,-7.2320368129,-2.1801952592,0.0510478419,0.0510478419,GGA+U,Pm,A3B5CD16E3_mP28_6_a2b_a4b_a_8a8b_3a:Ca-Fe-Li-O-Sn,28.0,A3B5CD16E3_mP28_6_a2b_a4b_a_8a8b_3a:Ca-Fe-Li-O-Sn +mp-757181,Li4Fe5SnO12,-6.9602984091,-1.8077695952,0.0898746904,0.0898746904,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Fe-Li-O-Sn,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2gh_j_4i5j_c:Fe-Li-O-Sn, expected Li4Fe7SnO28 to be Li4Fe5SnO12" +mp-756636,Li2Fe2SnO6,-6.806949925,-1.857168809,0.132941307,0.132941307,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Fe-Li-O-Sn,22.0,"Invalid WP multiplicities - A2B2C6D_oC44_64_d_e_2f3g_a:Fe-Li-O-Sn, expected Li2Fe2SnO16 to be Li2Fe2SnO6" +mp-1177968,Li2FeSnO4,-6.5297924672,-2.0192682618,0.0202628256,0.0202628256,GGA+U,C2/c,AB2C4D_mC32_15_2a_2b2c_4f_2d:Fe-Li-O-Sn,32.0,AB2C4D_mC32_15_a_bc_2f_d:Fe-Li-O-Sn +mp-773162,Li3Fe2SnO6,-6.6483852233,-1.9520089615,0.0562027283,0.0562027283,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Fe-Li-O-Sn,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Fe-Li-O-Sn, expected Li3Fe2SnO10 to be Li3Fe2SnO6" +mp-1176813,LiFeSnO4,-6.8813144464,-1.9991329069,0.0163100845,0.0163100845,GGA+U,Pmc2_1,ABC4D_oP14_26_a_a_2a2b_b:Fe-Li-O-Sn,14.0,"Invalid WP multiplicities - ABC4D_oP14_26_a_a_3a4b_b:Fe-Li-O-Sn, expected LiFeSnO7 to be LiFeSnO4" +mp-756311,LiFeSnO4,-6.8961897889,-2.0140082494,0.001434742,0.001434742,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Sn,28.0,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-Sn +mp-1176678,LiFeSnO4,-6.8246491586,-1.942467619,0.0729753723,0.0729753723,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_b_3d_c:Fe-Li-O-Sn, expected LiFeSnO6 to be LiFeSnO4" +mp-1176679,LiFeSnO4,-6.8638883632,-1.9817068237,0.0337361677,0.0337361677,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Fe-Li-O-Sn, expected LiFeSnO6 to be LiFeSnO4" +mp-1309506,Li2Fe3SnO8,-7.0057156843,-1.8049306194,0.0653219907,0.0653219907,GGA+U,P-1,A3B2C8D_aP28_2_abdfi_2i_8i_ch:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_aP28_2_3ab2i_4i_16i_2c:Fe-Li-O-Sn, expected Li4Fe4SnO16 to be Li2Fe3SnO8" +mp-863443,Li2Fe3SnO8,-6.9520610841,-1.7512760192,0.1189765909,0.1189765909,GGA+U,P2_1,A3B2C8D_mP56_4_6a_4a_16a_2a:Fe-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_mP56_4_11a_7a_31a_3a:Fe-Li-O-Sn, expected Li7Fe11Sn3O31 to be Li2Fe3SnO8" +mp-756492,Li2Fe3SnO8,-6.9797007579,-1.778915693,0.0913369171,0.0913369171,GGA+U,R3m,A3B2C8D_hR42_160_b_2a_2a2b_a:Fe-Li-O-Sn,14.0,A3B2C8D_hR42_160_b_2a_2a2b_a:Fe-Li-O-Sn +mp-1307940,Li2Fe3SnO8,-7.0473833786,-1.8465983137,0.0236542964,0.0236542964,GGA+U,C2/m,A3B2C8D_mC28_12_ae_i_2ij_c:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2c2e_i_3ij_a:Fe-Li-O-Sn, expected Li2Fe6SnO10 to be Li2Fe3SnO8" +mp-1282869,Li2Fe3SnO8,-7.048320975,-1.8475359101,0.0227167,0.0227167,GGA+U,P2/c,A3B2C8D_mP28_13_ace_g_4g_f:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_mP28_13_2acf_g_8g_e:Fe-Li-O-Sn, expected Li2Fe4SnO16 to be Li2Fe3SnO8" +mp-1273464,Li2Fe3SnO8,-7.0152699089,-1.814484844,0.0557677661,0.0557677661,GGA+U,C2/c,A3B2C8D_mC56_15_abe_f_4f_c:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_aP28_2_2b2d2i_4i_16i_2c:Fe-Li-O-Sn, expected Li4Fe4SnO16 to be Li2Fe3SnO8" +mp-775023,Li2Fe3SnO8,-7.0496280436,-1.8488429787,0.0214096314,0.0214096314,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Sn,28.0,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-Sn +mp-773163,Li2Fe3SnO8,-7.0623851868,-1.8616001219,0.0086524882,0.0086524882,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Fe-Li-O-Sn, expected Li3Fe3SnO30 to be Li2Fe3SnO8" +mp-1177962,Li2Fe3SnO8,-6.989404795,-1.7886197301000002,0.08163288,0.08163288,GGA+U,P2_13,A3B2C8D_cP56_198_b_2a_2a2b_a:Fe-Li-O-Sn,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_198_b_5a_8a13b_a:Fe-Li-O-Sn, expected Li5Fe3SnO47 to be Li2Fe3SnO8" +mp-1095800,LiCa2Sn,-1.294381,1.1880426204,1.6843975578,1.6843975578,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Li-Sn,4.0,A2BC_oI8_71_e_a_b:Ca-Li-Sn +mp-756929,Li4Fe5Sn3O16,-6.9245192493,-1.8830359471,0.0598118537,0.0598118537,GGA+U,P1,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-Sn,28.0,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-Sn +mp-1177407,Li4Fe5Sn3O16,-6.9384380121,-1.8969547099,0.0458930908,0.0458930908,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3ab_4a_8a6b_ab:Fe-Li-O-Sn, expected Li4Fe5Sn3O20 to be Li4Fe5Sn3O16" +mp-672336,Li5Ca7Sn11,-3.4317731335,-0.4887686162,0.0417374013,0.0417374013,GGA,Cmcm,A7B5C11_oC92_63_c3f_c2f_c5f:Ca-Li-Sn,46.0,"Invalid WP multiplicities - A7B5C11_oC92_63_2c8f_c5f_2c19f:Ca-Li-Sn, expected Li11(Ca9Sn20)2 to be Li5Ca7Sn11" +mp-757071,Li3Fe4SnO8,-7.0420497662,-1.8426788297,0.0340188213,0.0340188213,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Fe-Li-O-Sn,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_c2f_3i2j_b:Fe-Li-O-Sn, expected Li5Fe4SnO14 to be Li3Fe4SnO8" +mp-30477,LiCaSn,-3.20252838,-0.5611635128,0.0,-0.0069641525,GGA,P3m1,ABC_hP9_156_3c_2ab_a2b:Ca-Li-Sn,9.0,ABC_hP9_156_3c_2ab_a2b:Ca-Li-Sn +mp-2479693,LiCaSn,-3.2023232267,-0.5609583594,0.0002051533,-0.0067589992,GGA,P-6m2,ABC_hP9_187_bg_ci_eh:Ca-Li-Sn,9.0,"Invalid WP multiplicities - ABC_hP9_187_bg_c2i_eh:Ca-Li-Sn, expected Li5(CaSn)3 to be LiCaSn" +mp-1211196,Li8CaSn7,-3.1781043712,-0.3441052589,0.0449942604,0.0449942604,GGA,Cmcm,AB8C7_oC64_63_c_ac3f_3c2f:Ca-Li-Sn,32.0,AB8C7_oC64_63_c_ac3f_3c2f:Ca-Li-Sn +mp-865964,Li2CaSn,-2.965497835,-0.5072434679,0.0,-0.0400757569,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Li-Sn,4.0,AB2C_cF16_225_a_c_b:Ca-Li-Sn +mp-753126,Li3Fe3(SnO5)2,-6.8516316072,-1.9281392154,0.0718225744,0.0718225744,GGA+U,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Fe-Li-O-Sn,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_e2i_9i_i:Fe-Li-O-Sn, expected Li5Fe3(SnO9)2 to be Li3Fe3(SnO5)2" +mp-1227030,CaSmAl4,-4.0221855467,-0.4044373242,0.0192248325,0.0192248325,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-Sm,6.0,A4BC_cF24_216_e_a_c:Al-Ca-Sm +mp-1518841,CaSm(NiO3)4,-6.0119564672,-1.0561232856,0.407884999,0.407884999,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Ni-O-Sm, expected CaSm(NiO4)4 to be CaSm(NiO3)4" +mp-1227060,CaSmAlO4,-7.90094646,-3.5785869329,0.0110002097,0.0110002097,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-Ca-O-Sm,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-Ca-O-Sm +mp-1227109,CaSmAl3O7,-7.9363148079,-3.5540036009,0.0038489609,0.0038489609,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Al-Ca-O-Sm,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Al-Ca-O-Sm, expected CaSmAl5O19 to be CaSmAl3O7" +mp-1022476,Mg6FeCo,-2.9336780325,0.2138243806,0.2412108688,0.2412108688,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-Fe-Mg, expected Mg12FeCo to be Mg6FeCo" +mp-1022485,Mg6FeCo,-2.9134894975,0.2340129156,0.2613994038,0.2613994038,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Co-Fe-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Co-Fe-Mg, expected Mg12FeCo to be Mg6FeCo" +mp-1099907,Ca7MgFeCo7O20,-6.9546698683,-2.1546282236,0.074768823,0.074768823,GGA+U,P1,A7B7CDE20_aP144_1_28a_28a_4a_4a_80a:Ca-Co-Fe-Mg-O,144.0,A7B7CDE20_aP144_1_28a_28a_4a_4a_80a:Ca-Co-Fe-Mg-O +mp-2231797,MgFe2(CoO3)4,-6.9560871042,-1.3595682524,0.1121492922,0.1121492922,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:Co-Fe-Mg-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:Co-Fe-Mg-O +mp-2230972,MgFe2(CoO3)4,-6.9421717153,-1.3456528634,0.1260646811,0.1260646811,GGA+U,C2,A4B2CD12_mC38_5_2c_c_a_6c:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mC38_5_4c_c_a_12c:Co-Fe-Mg-O, expected MgFe2(CoO3)8 to be MgFe2(CoO3)4" +mp-2230180,MgFe2(CoO3)4,-6.9531321911,-1.3566133392,0.1151042053,0.1151042053,GGA+U,Cm,A4B2CD12_mC38_8_2b_2a_a_4a4b:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B2CD12_mC38_8_3b_2a_a_4a7b:Co-Fe-Mg-O, expected MgFe2(CoO3)6 to be MgFe2(CoO3)4" +mp-2219038,MgFe2(CoO4)2,-6.92761444,-1.3637323054,0.2880177224,0.2880177224,GGA+U,P1,A2B2CD8_aP13_1_2a_2a_a_8a:Co-Fe-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mP13_3_bc_ad_a_6e:Co-Fe-Mg-O, expected MgFe2(CoO6)2 to be MgFe2(CoO4)2" +mp-2219373,MgFe2(CoO4)2,-6.9559605354,-1.3920784008,0.259671627,0.259671627,GGA+U,P1,A2B2CD8_aP13_1_2a_2a_a_8a:Co-Fe-Mg-O,13.0,A2B2CD8_aP13_1_2a_2a_a_8a:Co-Fe-Mg-O +mp-2219106,MgFe2(CoO4)2,-7.0562672577,-1.4923851231,0.1593649047,0.1593649047,GGA+U,P2,A2B2CD8_mP13_3_ac_bd_a_4e:Co-Fe-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mP13_3_ac_bd_a_6e:Co-Fe-Mg-O, expected MgFe2(CoO6)2 to be MgFe2(CoO4)2" +mp-2230269,MgFeCo5O12,-6.8360911605,-1.3112409095,0.1065453019,0.1065453019,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Fe-Mg-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Fe-Mg-O +mp-2230317,MgFeCo5O12,-6.8272729695,-1.3024227184,0.1153634929,0.1153634929,GGA+U,Cm,A5BCD12_mC38_8_a2b_a_a_4a4b:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A5BCD12_mC38_8_a3b_a_a_4a7b:Co-Fe-Mg-O, expected MgFeCo7O18 to be MgFeCo5O12" +mp-2230781,MgFeCo5O12,-6.82955217,-1.3047019189,0.1130842924,0.1130842924,GGA+U,Cm,A5BCD12_mC38_8_a2b_a_a_4a4b:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A5BCD12_mC38_8_a3b_a_a_4a7b:Co-Fe-Mg-O, expected MgFeCo7O18 to be MgFeCo5O12" +mp-1032577,Mg6FeCoO8,-6.581423125,-2.5343275628,0.1068857718,0.1068857718,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-Fe-Mg-O, expected Mg6FeCoO12 to be Mg6FeCoO8" +mp-1032580,Mg6FeCoO8,-6.5726112494,-2.5255156872,0.1156976474,0.1156976474,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-Fe-Mg-O, expected Mg6FeCoO12 to be Mg6FeCoO8" +mp-1234324,MgFe3Co5O16,-6.9078478212,-1.2398897398,0.1791987267,0.1791987267,GGA+U,P1,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O,25.0,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O +mp-1234707,MgFe3Co5O16,-6.9514935,-1.2835354186,0.1355530479,0.1355530479,GGA+U,P1,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O,25.0,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O +mp-1234937,MgFe3Co5O16,-6.9209614644,-1.253003383,0.1660850835,0.1660850835,GGA+U,P1,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O,25.0,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O +mp-2220691,MgFe3Co5O16,-6.9616019564,-1.293643875,0.1254445915,0.1254445915,GGA+U,P1,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O,25.0,A5B3CD16_aP25_1_5a_3a_a_16a:Co-Fe-Mg-O +mp-1233048,MgFe3Co5O16,-6.9584633264,-1.290505245,0.1285832215,0.1285832215,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-1234476,MgFe3Co5O16,-6.9485940096,-1.2806359282,0.1384525383,0.1384525383,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-1234702,MgFe3Co5O16,-6.9118124948,-1.2438544134,0.1752340531,0.1752340531,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-2216299,MgFe3Co5O16,-6.9610508796,-1.2930927982,0.1259956683,0.1259956683,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-2220907,MgFe3Co5O16,-6.9276108124,-1.259652731,0.1594357355,0.1594357355,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-2220547,MgFe3Co5O16,-6.8460568236,-1.1780987422,0.2409897243,0.2409897243,GGA+U,Cm,A5B3CD16_mC50_8_3ab_ab_a_8a4b:Co-Fe-Mg-O,25.0,"Invalid WP multiplicities - A5B3CD16_mC50_8_3a2b_ab_a_8a6b:Co-Fe-Mg-O, expected MgFe3Co7O20 to be MgFe3Co5O16" +mp-2217105,MgFe(CoO3)2,-6.935484195,-1.5387772832,0.1815340706,0.1815340706,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Fe-Mg-O +mp-2239864,MgFe(CoO3)2,-6.759785009,-1.3630780972,0.3572332566,0.3572332566,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Fe-Mg-O +mp-2217446,MgFe(CoO3)2,-6.905030211,-1.5083232993,0.2119880546,0.2119880546,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O +mp-2223637,MgFe(CoO3)2,-6.866711733,-1.4700048212,0.2503065326,0.2503065326,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O +mp-2222837,MgFe(CoO3)2,-6.922385517,-1.5256786052,0.1946327486,0.1946327486,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O +mp-2240242,MgFe(CoO3)2,-6.9676320910000005,-1.5709251792,0.1493861746,0.1493861746,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O +mp-2239949,MgFe(CoO3)2,-6.934725467,-1.5380185552,0.1822927986,0.1822927986,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Fe-Mg-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_6i:Co-Fe-Mg-O, expected MgFe(CoO6)2 to be MgFe(CoO3)2" +mp-2232167,MgFe2(CoO2)4,-7.1493344467,-1.3795275573,0.2898084863,0.2898084863,GGA+U,P-1,A4B2CD8_aP15_2_aei_bc_d_4i:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_aP15_2_aei_bc_d_7i:Co-Fe-Mg-O, expected MgFe2(Co2O7)2 to be MgFe2(CoO2)4" +mp-2232991,MgFe2(CoO2)4,-7.1928875827,-1.4230806933,0.2462553503,0.2462553503,GGA+U,C2,A4B2CD8_mC30_5_2c_ab_a_4c:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_3c_ab_a_8c:Co-Fe-Mg-O, expected MgFe2(Co3O8)2 to be MgFe2(CoO2)4" +mp-2233157,MgFe2(CoO2)4,-7.240576284,-1.4707693947,0.198566649,0.198566649,GGA+U,Cm,A4B2CD8_mC30_8_2ab_2a_a_4a2b:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_5_ab2c_c_a_4c:Co-Fe-Mg-O, expected MgFe2(Co3O4)2 to be MgFe2(CoO2)4" +mp-2241110,MgFe2(CoO2)4,-7.2539797607,-1.4841728713,0.1851631723,0.1851631723,GGA+U,C2/m,A4B2CD8_mC30_12_aci_e_b_2ij:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A4B2CD8_mC30_12_bci_f_a_3i2j:Co-Fe-Mg-O, expected MgFe2(Co2O7)2 to be MgFe2(CoO2)4" +mp-2232535,MgFe4(CoO4)2,-7.4438573807,-1.492490036,0.2321242152,0.2321242152,GGA+U,Cm,A2B4CD8_mC30_8_2a_2ab_a_4a2b:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_c_abd_a_4c4d:Co-Fe-Mg-O, expected MgFe4(CoO8)2 to be MgFe4(CoO4)2" +mp-2232677,MgFe4(CoO4)2,-7.445675194,-1.4943078493,0.2303064018,0.2303064018,GGA+U,C2/m,A2B4CD8_mC30_12_ac_ei_b_2ij:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_bc_fi_a_4i3j:Co-Fe-Mg-O, expected MgFe4(CoO10)2 to be MgFe4(CoO4)2" +mp-2232204,MgFe4(CoO4)2,-7.4628582233,-1.5114908787,0.2131233725,0.2131233725,GGA+U,C2/m,A2B4CD8_mC30_12_e_aci_b_2ij:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_f_bci_a_3i4j:Co-Fe-Mg-O, expected MgFe4(CoO11)2 to be MgFe4(CoO4)2" +mp-2232543,MgFe4(CoO4)2,-7.242813884,-1.2914465393,0.4331677118,0.4331677118,GGA+U,C2/m,A2B4CD8_mC30_12_ac_ei_b_2ij:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_mC30_12_bc_ei_a_4i3j:Co-Fe-Mg-O, expected MgFe4(CoO10)2 to be MgFe4(CoO4)2" +mp-2224255,MgFe4(CoO4)2,-7.449318912,-1.4979515673,0.2266626838,0.2266626838,GGA+U,Imm2,A2B4CD8_oI30_44_ab_cd_a_2c2d:Co-Fe-Mg-O,15.0,A2B4CD8_oI30_44_ab_cd_a_2c2d:Co-Fe-Mg-O +mp-2232304,MgFe4(CoO4)2,-7.428315644,-1.4769482993,0.2476659518,0.2476659518,GGA+U,Imm2,A2B4CD8_oI30_44_c_abd_a_2c2d:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_c_abd_a_4c4d:Co-Fe-Mg-O, expected MgFe4(CoO8)2 to be MgFe4(CoO4)2" +mp-2232763,MgFe4(CoO4)2,-7.443809396,-1.4924420513,0.2321721998,0.2321721998,GGA+U,Imm2,A2B4CD8_oI30_44_c_abd_a_2c2d:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_oI30_44_c_abd_a_4c4d:Co-Fe-Mg-O, expected MgFe4(CoO8)2 to be MgFe4(CoO4)2" +mp-2224776,MgFe4(CoO4)2,-7.488841976,-1.5374746313,0.1871396198,0.1871396198,GGA+U,R-3m,A2B4CD8_hR45_166_c_ad_b_ch:Co-Fe-Mg-O,15.0,"Invalid WP multiplicities - A2B4CD8_hR45_166_c_a2d_b_2c3h:Co-Fe-Mg-O, expected MgFe7(CoO11)2 to be MgFe4(CoO4)2" +mp-2232152,MgFe4(CoO4)2,-7.0715195267,-1.120152182,0.6044620692,0.6044620692,GGA+U,F-43m,A2B4CD8_cF60_216_ac_e_b_2e:Co-Fe-Mg-O,15.0,A2B4CD8_cF60_216_ac_e_b_2e:Co-Fe-Mg-O +mp-1222057,MgFe4CoO8,-7.6756934414,-1.8069654146,0.0408355688,0.0408355688,GGA+U,R3m,AB4CD8_hR42_160_a_ab_a_2a2b:Co-Fe-Mg-O,14.0,AB4CD8_hR42_160_a_ab_a_2a2b:Co-Fe-Mg-O +mp-2225382,MgFeCoO4,-7.0621864671,-1.7814187671,0.1966800418,0.1966800418,GGA+U,P2/m,ABCD4_mP7_10_d_b_c_mn:Co-Fe-Mg-O,7.0,ABCD4_mP7_10_e_c_b_mn:Co-Fe-Mg-O +mp-2222938,MgFeCoO4,-7.1839294929,-1.9031617929,0.0749370161,0.0749370161,GGA+U,P2/m,ABCD4_mP7_10_b_d_c_mn:Co-Fe-Mg-O,7.0,ABCD4_mP7_10_c_e_b_mn:Co-Fe-Mg-O +mp-2241408,MgFeCoO4,-5.6055854871,-0.3248177871,1.6532810218,1.6532810218,GGA+U,P2/m,ABCD4_mP7_10_b_g_a_mn:Co-Fe-Mg-O,7.0,ABCD4_mP7_10_b_d_a_mn:Co-Fe-Mg-O +mp-1076139,Ca7MgFeCo7O24,-6.6886086655,-1.8739023141,0.1838292063,0.1838292063,GGA+U,R3m,A7B7CDE24_hR120_160_a2b_a2b_a_a_4b2c:Ca-Co-Fe-Mg-O,40.0,"Invalid WP multiplicities - A7B7CDE24_hR120_160_a6b_a4b_a_a_12b10c:Ca-Co-Fe-Mg-O, expected Ca19MgFeCo13O96 to be Ca7MgFeCo7O24" +mp-1042681,MgFe2CoO7,-6.8640076783,-1.3844202925,0.2625186607,0.2625186607,GGA+U,P2_1/c,AB2CD7_mP88_14_2e_4e_2e_14e:Co-Fe-Mg-O,88.0,"Invalid WP multiplicities - AB2CD7_mP88_14_2e_7e_3e_17e:Co-Fe-Mg-O, expected Mg3Fe7Co2O17 to be MgFe2CoO7" +mp-2231153,MgFe4(CoO6)2,-7.0881315411,-1.3482754876,0.2313047233,0.2313047233,GGA+U,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Co-Fe-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Co-Fe-Mg-O +mp-2231541,MgFe4(CoO6)2,-7.0797028884,-1.339846835,0.2397333759,0.2397333759,GGA+U,Cm,A2B4CD12_mC38_8_2a_4a_a_6a3b:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B4CD12_mC38_8_2a_4a_a_6a6b:Co-Fe-Mg-O, expected MgFe4(CoO9)2 to be MgFe4(CoO6)2" +mp-2230234,MgFe4(CoO6)2,-7.0908105695,-1.3509545161,0.2286256949,0.2286256949,GGA+U,Amm2,A2B4CD12_oC38_38_ab_2c_a_2b2cdf:Co-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B4CD12_oC38_38_ab_2c_a_2b2c2d2f:Co-Fe-Mg-O, expected MgFe4(CoO9)2 to be MgFe4(CoO6)2" +mp-1036993,Mg30FeCoO32,-6.3861796816,-2.9192925055,0.0315410526,0.0315410526,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-Fe-Mg-O, expected Mg90FeCoO80 to be Mg30FeCoO32" +mp-1037039,Mg30FeCoO32,-6.4016109061,-2.9347237301,0.0161098281,0.0161098281,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-Fe-Mg-O, expected Mg110FeCoO72 to be Mg30FeCoO32" +mp-2224801,MgFeCo3O8,-6.8999463154,-1.4408105973,0.1321167127,0.1321167127,GGA+U,C2/m,A3BCD8_mC26_12_be_a_c_2ij:Co-Fe-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_be_a_c_3i2j:Co-Fe-Mg-O, expected MgFeCo3O14 to be MgFeCo3O8" +mp-2224752,MgFeCo3O8,-6.9517581692,-1.4926224512,0.0803048589,0.0803048589,GGA+U,C2/m,A3BCD8_mC26_12_ae_b_c_2ij:Co-Fe-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_be_a_c_3i2j:Co-Fe-Mg-O, expected MgFeCo3O14 to be MgFeCo3O8" +mp-1035743,Mg14FeCoO16,-6.4533671316,-2.7930771602,0.0545496568,0.0545496568,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-Fe-Mg-O, expected Mg18FeCoO20 to be Mg14FeCoO16" +mp-1035756,Mg14FeCoO16,-6.4541383591,-2.7938483877,0.0537784293,0.0537784293,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-Fe-Mg-O, expected Mg30FeCoO32 to be Mg14FeCoO16" +mp-1099080,Mg14FeCo,-2.2517452537,0.1221459778,0.1427762828,0.1427762828,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-Fe-Mg, expected Mg18FeCo to be Mg14FeCo" +mp-1027908,Mg14FeCo,-2.2351723312,0.1387189003,0.1593492053,0.1593492053,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-Fe-Mg, expected Mg26FeCo to be Mg14FeCo" +mp-765095,Li4Nb2Cr3Co3O16,-7.8645253104,-2.2477604274,0.0509440513,0.0509440513,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Cr-Li-Nb-O,28.0,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Cr-Li-Nb-O +mp-631299,NbCrCo,-8.1288641133,0.8253593217,0.9393774768,0.9393774768,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Cr-Nb,3.0,ABC_cF12_216_a_b_c:Co-Cr-Nb +mp-39226,SrLa4TiAl4O15,-8.41821564,-3.6777497249,0.0199397873,0.0199397873,GGA,Pmma,A4B4C15DE_oP50_51_4e_4f_ac5f4i_f_e:Al-La-O-Sr-Ti,50.0,"Invalid WP multiplicities - A4B4C15DE_oP50_51_7e_7f_2a2c8f15i_f_e:Al-La-O-Sr-Ti, expected SrLa7TiAl7O42 to be SrLa4TiAl4O15" +mp-1218229,SrLa4TiAl4O15,-8.4097119864,-3.6692460713,0.0284434409,0.0284434409,GGA,Cmmm,A4B4C15DE_oC50_65_2h_2g_bf2g2q_a_c:Al-La-O-Sr-Ti,25.0,"Invalid WP multiplicities - A4B4C15DE_oC50_65_3h_3g_b2f3g5q_a_c:Al-La-O-Sr-Ti, expected SrLa6TiAl6O31 to be SrLa4TiAl4O15" +mp-1210835,Li2BeCl4,-4.1359902250000005,-2.000075191,0.0085102857,0.0085102857,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Be-Cl-Li,28.0,AB4C2_oP28_62_c_2cd_ac:Be-Cl-Li +mp-560072,Li4Be3As3ClO12,-6.4471805489000005,-2.3584811371,0.0,-0.0667949335,GGA,P-43n,A3B3CD4E12_cP46_218_c_d_a_e_i:As-Be-Cl-Li-O,46.0,A3B3CD4E12_cP46_218_c_d_a_e_i:As-Be-Cl-Li-O +mp-754163,BeClO,-5.2825853933,-1.7710393146,0.2979553183,0.2979553183,GGA,R-3m,ABC_hR18_166_c_c_c:Be-Cl-O,6.0,ABC_hR18_166_c_c_c:Be-Cl-O +mp-1178530,BeClO,-5.284134255,-1.7725881762,0.2964064567,0.2964064567,GGA,R-3m,ABC_hR18_166_c_c_c:Be-Cl-O,6.0,ABC_hR18_166_c_c_c:Be-Cl-O +mp-1178534,BeClO,-5.2785324933,-1.7669864146,0.3020082183,0.3020082183,GGA,R-3m,ABC_hR18_166_c_c_c:Be-Cl-O,6.0,ABC_hR18_166_c_c_c:Be-Cl-O +mp-1214660,Ba4Nd(IrO4)3,-7.288338379,-2.3723576656,0.0,-0.0050053471,GGA,C2/m,A4B3CD12_mC40_12_2i_ai_d_2i2j:Ba-Ir-Nd-O,20.0,A4B3CD12_mC40_12_2i_ai_d_2i2j:Ba-Ir-Nd-O +mp-1214535,Ba3NdIr2O9,-7.329986094,-2.4818434931,0.0,-0.002177933,GGA,C2/c,A3B2CD9_mC60_15_ef_f_a_e4f:Ba-Ir-Nd-O,30.0,A3B2CD9_mC60_15_ef_f_c_e4f:Ba-Ir-Nd-O +mp-976252,Nd2IrRu,-7.233995965,-0.3217130687,0.1335050571,0.1335050571,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ir-Nd-Ru,4.0,AB2C_cF16_225_a_c_b:Ir-Nd-Ru +mp-1079169,Ba2NdIrO6,-7.406747725,-2.694281349,0.0,-0.0550954522,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Ir-Nd-O +mp-1228241,Ba3NdIrRuO9,-7.407058758,-2.5298515998,0.0,-0.0015861915,GGA,P6_3mc,A3BCD9E_hP30_186_a2b_b_a_3c_b:Ba-Ir-Nd-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_186_a4b_b_a_5c_b:Ba-Ir-Nd-O-Ru, expected Ba5NdIrRuO15 to be Ba3NdIrRuO9" +mp-1517490,SrCaEuSeO6,-7.247836772,-2.5350228842,0.1474580862,0.1474580862,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Ca-Eu-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Ca-Eu-O-Se-Sr +mp-758553,Li4Ti2Nb3Fe3O16,-8.2632267118,-2.6100955107,0.101195629,0.101195629,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-Ti,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-Ti +mp-762474,Li4Ti2Nb3Fe3O16,-8.2832442043,-2.6301130032,0.0811781365,0.0811781365,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Nb-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Nb-O-Ti, expected Li4Ti2Nb3Fe3O20 to be Li4Ti2Nb3Fe3O16" +mp-775999,Li4Ti3Nb2Fe3O16,-8.3137471773,-2.7393950128,0.0177625274,0.0177625274,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Nb-O-Ti,56.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_2a2b_4a_2a_8a4b_ab:Fe-Li-Nb-O-Ti, expected Li4Ti3Nb2(Fe3O8)2 to be Li4Ti3Nb2Fe3O16" +mp-1516204,BaSrSmSeO6,-6.7778455855,-2.6275357582,0.1805087299,0.1805087299,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Ba-O-Se-Sm-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Ba-O-Se-Sm-Sr, expected BaSrSmSeO12 to be BaSrSmSeO6" +mp-1516342,BaSrSmSeO6,-6.7813579998,-2.6310481724,0.1769963157,0.1769963157,GGA,P222,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Se-Sm-Sr,40.0,AB6CDE_oP40_16_abch_6u_u_u_defg:Ba-O-Se-Sm-Sr +mp-1516385,BaSrSmSeO6,-6.761473216,-2.6111633887,0.1968810994,0.1968810994,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Se-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Ba-O-Se-Sm-Sr +mp-38152,Sr(SmSe2)2,-5.7786528507,-2.1914654744,0.0164069546,0.0164069546,GGA,I-42d,A4B2C_tI28_122_e_d_a:Se-Sm-Sr,14.0,A4B2C_tI28_122_e_d_a:Se-Sm-Sr +mp-1522839,CaNdHfCrO6,-8.912170921,-3.3057593130000003,0.1763944688,0.1763944688,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Cr-Hf-Nd-O,,ABCDE6_cF40_216_c_a_b_d_f:Ca-Cr-Hf-Nd-O +mp-1214167,Ca2PrGaCu2O7,-6.6631695927,-2.4596745268,0.0437922747,0.0437922747,GGA,Ima2,A2B2CD7E_oI52_46_c_c_b_b3c_a:Ca-Cu-Ga-O-Pr,26.0,A2B2CD7E_oI52_46_c_c_b_b3c_a:Ca-Cu-Ga-O-Pr +mp-1219849,Pr2Ga3Cu,-4.3465871483,-0.5557027737,0.0127206296,0.0127206296,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Pr,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Pr +mp-1219852,Pr2Ga5Cu3,-4.170359766,-0.4703686027,0.0,-0.016356003,GGA,P-4m2,A3B5C2_tP10_115_abc_d2g_g:Cu-Ga-Pr,10.0,"Invalid WP multiplicities - A3B5C2_tP10_115_abc_d4g_g:Cu-Ga-Pr, expected Pr2(Ga3Cu)3 to be Pr2Ga5Cu3" +mp-1519326,SrTbPrMnO6,-8.025389581,-3.0306982942,0.1496699176,0.1496699176,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Tb,10.0,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Tb +mp-1217499,TbPrMn4,-7.4359956367,0.2412265339,0.2412265339,0.2412265339,GGA,F-43m,A4BC_cF24_216_e_a_c:Mn-Pr-Tb,6.0,A4BC_cF24_216_e_a_c:Mn-Pr-Tb +mp-20779,Li2CeSb2,-4.375202102,-0.7734146283000001,0.1015956093,0.1015956093,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Ce-Li-Sb,10.0,AB2C2_tP10_129_c_ac_bc:Ce-Li-Sb +mp-1018761,Li3CeSb2,-4.1875268817,-0.8678835092,0.0,-0.02983913,GGA,P-3m1,AB3C2_hP6_164_a_bd_d:Ce-Li-Sb,6.0,AB3C2_hP6_164_a_bd_d:Ce-Li-Sb +mp-1516615,BaLiCeSbO6,-7.1461029112,-2.7890908643000003,0.1220801986,0.1220801986,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ce-Li-O-Sb,,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ce-Li-O-Sb, expected BaLi2CeSbO12 to be BaLiCeSbO6" +mp-1516690,BaLiCeSbO6,-7.129726555,-2.7727145081,0.1384565549,0.1384565549,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Li-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Li-O-Sb +mp-1517520,SrCaHfNbO6,-8.730063926,-3.3866919589,0.1299790683,0.1299790683,GGA,F-43m,ABCD6E_cF40_216_c_a_b_f_d:Ca-Hf-Nb-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:Ca-Hf-Nb-O-Sr +mp-1196943,La2Zn(SeO)2,-6.776733222,-2.7743106223,0.0,-0.008183502,GGA,Cmce,A2B2C2D_oC112_64_efg_2g_efg_2d:La-O-Se-Zn,56.0,A2B2C2D_oC112_64_efg_2g_efg_2d:La-O-Se-Zn +mp-1519132,SrCaHfSnO6,-7.886126336,-3.1519276874,0.0951537525,0.0951537525,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ca-Hf-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ca-Hf-O-Sn-Sr +mp-1519136,Ca2HfSnO6,-7.864403741,-3.0985944498,0.152480096,0.152480096,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Sn,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Hf-O-Sn +mp-1521845,SrEuMgBiO6,-7.133871156,-2.4271314859,0.1327617316,0.1327617316,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Mg-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Mg-O-Sr +mp-1095781,Ba2MgIn,-0.80742192,1.240056495,1.4856068468,1.4856068468,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-In-Mg,4.0,A2BC_oI8_71_e_a_b:Ba-In-Mg +mp-1183274,Ba2MgIn,-2.290643355,-0.24316494,0.0023854118,0.0023854118,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-In-Mg,4.0,A2BC_cF16_225_c_a_b:Ba-In-Mg +mp-1227881,BaMgIn3,-2.705268706,-0.35040747,0.0,-0.018037738,GGA,I-4m2,AB3C_tI10_119_c_af_b:Ba-In-Mg,5.0,AB3C_tI10_119_c_af_b:Ba-In-Mg +mp-1214765,Ba(MgIn)2,-2.423275358,-0.298694858,0.0010201321,0.0010201321,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-In-Mg,5.0,AB2C2_tI10_139_a_e_d:Ba-In-Mg +mp-2222894,Ba2MgNbInO6,-6.7887963464,-2.4277644402,0.4967218185,0.4967218185,GGA,Immm,A2BCDE6_oI22_71_f_a_c_b_el:Ba-In-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_oI22_71_f_a_c_b_2e2l:Ba-In-Mg-Nb-O, expected Ba2MgNbInO12 to be Ba2MgNbInO6" +mp-2218010,Ba2MgNbInO6,-6.8303286109,-2.4692967048,0.4551895539,0.4551895539,GGA,R3m,A2BCDE6_hR33_160_2a_a_a_a_2b:Ba-In-Mg-Nb-O,11.0,"Invalid WP multiplicities - A2BCDE6_hR33_160_2a_a_a_a_5b:Ba-In-Mg-Nb-O, expected Ba2MgNbInO15 to be Ba2MgNbInO6" +mp-2218691,MgNb2In2O8,-7.6044662946,-2.4598688115,0.2001845655,0.2001845655,GGA,P1,A2BC2D8_aP13_1_2a_a_2a_8a:In-Mg-Nb-O,13.0,A2BC2D8_aP13_1_2a_a_2a_8a:In-Mg-Nb-O +mp-2218645,MgNb2In2O8,-7.5814674838,-2.4368700008,0.2231833763,0.2231833763,GGA,P2,A2BC2D8_mP13_3_ac_a_bd_4e:In-Mg-Nb-O,13.0,A2BC2D8_mP13_3_ac_a_bd_4e:In-Mg-Nb-O +mp-2218389,MgNb2In2O8,-7.6037256085,-2.4591281254,0.2009252517,0.2009252517,GGA,P2,A2BC2D8_mP13_3_bd_a_ac_4e:In-Mg-Nb-O,13.0,A2BC2D8_mP13_3_bd_a_ac_4e:In-Mg-Nb-O +mp-1225668,DyFeNi,-6.4915971517,-0.2059489083,0.0968627517,0.0968627517,GGA,Imma,ABC_oI12_74_e_a_c:Dy-Fe-Ni,6.0,ABC_oI12_74_e_a_c:Dy-Fe-Ni +mp-1225612,DyFeNi4,-6.2868498783,-0.2539574167,0.0556178688,0.0556178688,GGA,P-6m2,ABC4_hP6_187_a_c_ek:Dy-Fe-Ni,6.0,ABC4_hP6_187_a_c_ek:Dy-Fe-Ni +mp-1225304,Dy2Fe3Ni,-6.882869465,-0.1489071333,0.0487124483,0.0487124483,GGA,R-3m,A2B3C_hR18_166_c_d_a:Dy-Fe-Ni,6.0,A2B3C_hR18_166_c_d_a:Dy-Fe-Ni +mp-866220,CaNdZn2,-2.63123632,-0.3079276869,0.0,-0.0227896387,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Nd-Zn,4.0,ABC2_cF16_225_a_b_c:Ca-Nd-Zn +mp-1522802,CaSmMn4O12,-7.6079906822,-1.9006289201,0.2915976378,0.2915976378,GGA+U,P4/mmm,AB4C12D_tP18_123_a_i_efr_d:Ca-Mn-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_tP18_123_a_i_2e2fr_d:Ca-Mn-O-Sm, expected CaSmMn4O16 to be CaSmMn4O12" +mp-1227761,Ca3SmMn4O12,-7.978625136,-2.6414395621,0.0090963588,0.0090963588,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:Ca-Mn-O-Sm,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_4c_2a2b8c_a:Ca-Mn-O-Sm, expected Ca3SmMn8O20 to be Ca3SmMn4O12" +mp-1365096,Ca3Nd4Nb6(FeO14)2,-8.6837418253,-3.075729129,0.0903309341,0.0903309341,GGA+U,P-1,A3B2C6D4E28_aP43_2_di_bc_ef2i_agi_14i:Ca-Fe-Nb-Nd-O,43.0,"Invalid WP multiplicities - A3B2C6D4E28_aP43_2_di_bc_ef4i_agi_28i:Ca-Fe-Nb-Nd-O, expected Ca3Nd4Nb10(FeO28)2 to be Ca3Nd4Nb6(FeO14)2" +mp-1227480,Ca2Nd2Nb3FeO14,-8.7499348823,-3.2237952044,0.0266423315,0.0266423315,GGA+U,C2/m,A2BC3D2E14_mC44_12_ac_b_de_f_3i2j:Ca-Fe-Nb-Nd-O,22.0,"Invalid WP multiplicities - A2BC3D2E14_mC44_12_ac_b_df_e_5i6j:Ca-Fe-Nb-Nd-O, expected Ca2Nd2Nb3FeO34 to be Ca2Nd2Nb3FeO14" +mp-40206,Ca2Nd2Nb3FeO14,-8.7538486845,-3.2277090067,0.0227285293,0.0227285293,GGA+U,P2/c,A2BC3D2E14_mP44_13_ae_b_def_cf_7g:Ca-Fe-Nb-Nd-O,44.0,"Invalid WP multiplicities - A2BC3D2E14_mP44_13_2ae_b_d2e2f_cf_26g:Ca-Fe-Nb-Nd-O, expected Ca3Nd2Nb5FeO52 to be Ca2Nd2Nb3FeO14" +mp-1076671,La7SmMn4(FeO6)4,-8.520450758,-2.8074679843,0.2008546634,0.2008546634,GGA+U,P4mm,A4B7C4D24E_tP40_99_d_a2b2c_d_2d2e2f_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A4B7C4D24E_tP40_99_d_a2b4c_d_4d6e6f_a:Fe-La-Mn-O-Sm, expected La11SmMn4(FeO16)4 to be La7SmMn4(FeO6)4" +mp-1222895,LaSm3(FeO3)4,-8.423692897,-2.8070871527,0.0097603966,0.0097603966,GGA+U,Pm,A4BC12D3_mP20_6_2c_a_2a2b4c_a2b:Fe-La-O-Sm,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_6_4c_a_2a2b8c_a2b:Fe-La-O-Sm, expected LaSm3(Fe2O5)4 to be LaSm3(FeO3)4" +mp-1076610,La7SmMnFe7O24,-8.3824361435,-2.7213529259,0.1667980414,0.1667980414,GGA+U,R3m,A7B7CD24E_hR120_160_a2b_a2b_a_4b2c_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A7B7CD24E_hR120_160_a6b_a4b_a_12b11c_a:Fe-La-Mn-O-Sm, expected La13SmMnFe19O102 to be La7SmMnFe7O24" +mp-1099887,La7SmMn5(FeO8)3,-8.5449295738,-2.814646948,0.2333665021,0.2333665021,GGA+U,Cm,A3B7C5D24E_mC80_8_ab_3a2b_3ab_4a10b_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A3B7C5D24E_mC80_8_ab_3a4b_3a2b_4a20b_a:Fe-La-Mn-O-Sm, expected La11SmMn7Fe3O44 to be La7SmMn5(FeO8)3" +mp-1076382,La7Sm(FeO3)8,-8.3495306763,-2.7057473108,0.1418015977,0.1418015977,GGA+U,Pm-3m,A8B7C24D_cP40_221_g_acd_ij_b:Fe-La-O-Sm,40.0,"Invalid WP multiplicities - A8B7C24D_cP40_221_g_a2c2d_7i6j_b:Fe-La-O-Sm, expected La13Sm(Fe2O39)4 to be La7Sm(FeO3)8" +mp-1076598,La7SmMn2(FeO4)6,-8.4142439415,-2.7358608719,0.1927851097,0.1927851097,GGA+U,Cmm2,A6B7C2D24E_oC80_35_d2e_a2b2c_d_2d2e4f_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A6B7C2D24E_oC80_35_2d4e_a2b4c_d_4d4e12f_a:Fe-La-Mn-O-Sm, expected La11SmMn2(Fe3O16)4 to be La7SmMn2(FeO4)6" +mp-1076797,La7SmMn6(FeO10)2,-8.7148288267,-2.8782581526,0.1575000522,0.1575000522,GGA+U,P1,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Fe-La-Mn-O-Sm,144.0,A2B7C6D20E_aP144_1_8a_28a_24a_80a_4a:Fe-La-Mn-O-Sm +mp-1076669,La7SmMn6(FeO12)2,-8.6036288658,-2.8560463879,0.2316578646,0.2316578646,GGA+U,Amm2,A2B7C6D24E_oC80_38_c_a2bde_cf_2a2bde4f_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A2B7C6D24E_oC80_38_c_a2bde_2c2f_2a2bde16f_a:Fe-La-Mn-O-Sm, expected La7SmMn12(FeO36)2 to be La7SmMn6(FeO12)2" +mp-1099704,La7SmMn7FeO20,-8.7594392944,-2.9036465625,0.1321116423,0.1321116423,GGA+U,P1,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Fe-La-Mn-O-Sm,144.0,AB7C7D20E_aP144_1_4a_28a_28a_80a_4a:Fe-La-Mn-O-Sm +mp-1076455,La7SmMn3(FeO4)5,-8.5788050731,-2.7999005725,0.1614778282,0.1614778282,GGA+U,P1,A5B7C3D20E_aP144_1_20a_28a_12a_80a_4a:Fe-La-Mn-O-Sm,144.0,A5B7C3D20E_aP144_1_20a_28a_12a_80a_4a:Fe-La-Mn-O-Sm +mp-1099902,La7SmMnFe7O20,-8.4813664045,-2.7409060196,0.133268473,0.133268473,GGA+U,P1,A7B7CD20E_aP144_1_28a_28a_4a_80a_4a:Fe-La-Mn-O-Sm,144.0,A7B7CD20E_aP144_1_28a_28a_4a_80a_4a:Fe-La-Mn-O-Sm +mp-1076792,La7SmMn7FeO24,-8.6469958587,-2.8821135289,0.245281526,0.245281526,GGA+U,R3m,AB7C7D24E_hR120_160_a_a2b_a2b_4b2c_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - AB7C7D24E_hR120_160_a_a4b_a4b_12b10c_a:Fe-La-Mn-O-Sm, expected La13SmMn13FeO96 to be La7SmMn7FeO24" +mp-1076172,La7SmMn4(FeO5)4,-8.6299023165,-2.831775758,0.1732045968,0.1732045968,GGA+U,P1,A4B7C4D20E_aP144_1_16a_28a_16a_80a_4a:Fe-La-Mn-O-Sm,144.0,A4B7C4D20E_aP144_1_16a_28a_16a_80a_4a:Fe-La-Mn-O-Sm +mp-1223137,La3Sm(FeO3)4,-8.455566645,-2.8172188038,0.0241898329,0.0241898329,GGA+U,Pm,A4B3C12D_mP20_6_2c_a2b_2a2b4c_a:Fe-La-O-Sm,20.0,"Invalid WP multiplicities - A4B3C12D_mP20_6_4c_a2b_2a2b8c_a:Fe-La-O-Sm, expected La3Sm(Fe2O5)4 to be La3Sm(FeO3)4" +mp-1099861,La7SmMn5Fe3O20,-8.6720578915,-2.8547092753000003,0.1810489295,0.1810489295,GGA+U,P1,A3B7C5D20E_aP144_1_12a_28a_20a_80a_4a:Fe-La-Mn-O-Sm,144.0,A3B7C5D20E_aP144_1_12a_28a_20a_80a_4a:Fe-La-Mn-O-Sm +mp-1075984,La7SmMn3Fe5O24,-8.4694760998,-2.7737931781,0.1948386672,0.1948386672,GGA+U,Cm,A5B7C3D24E_mC80_8_3ab_3a2b_ab_4a10b_a:Fe-La-Mn-O-Sm,40.0,"Invalid WP multiplicities - A5B7C3D24E_mC80_8_3ab_3a4b_ab_4a20b_a:Fe-La-Mn-O-Sm, expected La11SmMn3Fe5O44 to be La7SmMn3Fe5O24" +mp-1076418,La7SmMn2(Fe3O10)2,-8.5314788807,-2.7717964379,0.1459800087,0.1459800087,GGA+U,P1,A6B7C2D20E_aP144_1_24a_28a_8a_80a_4a:Fe-La-Mn-O-Sm,144.0,A6B7C2D20E_aP144_1_24a_28a_8a_80a_4a:Fe-La-Mn-O-Sm +mp-1219915,Rb2TiCr2(MoO4)6,-8.2985226971,-2.2140345591,0.007857331,0.007857331,GGA+U,P-1,A2B6C24D2E_aP35_2_cd_3i_12i_i_b:Cr-Mo-O-Rb-Ti,35.0,"Invalid WP multiplicities - A2B6C24D2E_aP35_2_cd_6i_24i_i_b:Cr-Mo-O-Rb-Ti, expected Rb2TiCr2(MoO4)12 to be Rb2TiCr2(MoO4)6" +mp-1095914,TiCrMo2,-5.7479043425,4.0620555842,4.1865027687,4.1865027687,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Mo-Ti,4.0,AB2C_oI8_71_a_e_b:Cr-Mo-Ti +mp-1232722,Ca(MnSb)2,-6.08700078,-0.3694741912,0.0834883828,0.0834883828,GGA,C2/m,AB2C2_mC10_12_a_i_i:Ca-Mn-Sb,10.0,AB2C2_mC10_12_a_i_i:Ca-Mn-Sb +mp-4150,Ca(MnSb)2,-6.09586537,-0.3783387812,0.0746237928,0.0746237928,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Mn-Sb,5.0,AB2C2_hP5_164_a_d_d:Ca-Mn-Sb +mp-1227969,Ca3Mn2SbO9,-7.4282088472,-2.5622068561,0.0266034054,0.0266034054,GGA+U,P-1,A3B2C9D_aP60_2_6i_ac3i_18i_fhi:Ca-Mn-O-Sb,60.0,"Invalid WP multiplicities - A3B2C9D_aP60_2_10i_ac5i_34i_fhi:Ca-Mn-O-Sb, expected Ca5Mn3SbO17 to be Ca3Mn2SbO9" +mp-568798,Ca14MnSb11,-4.2334905857,-1.0542818452,0.0,-0.0471782458,GGA,I4_1/acd,A14BC11_tI208_142_e3g_a_bf2g:Ca-Mn-Sb,104.0,A14BC11_tI208_142_e3g_a_bf2g:Ca-Mn-Sb +mp-1374903,Ca3Mn2(SbO6)2,-7.1734607616,-2.3335082753,0.1455003553,0.1455003553,GGA+U,Pm,A3B2C12D2_mP19_6_2ab_c_2a2b4c_c:Ca-Mn-O-Sb,19.0,"Invalid WP multiplicities - A3B2C12D2_mP19_6_2ab_c_2a2b8c_c:Ca-Mn-O-Sb, expected Ca3Mn2(SbO10)2 to be Ca3Mn2(SbO6)2" +mp-1044443,CaPr(SbO3)2,-6.9684774475,-2.4960134092,0.1984888596,0.1984888596,GGA,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Ca-O-Pr-Sb,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Ca-O-Pr-Sb, expected CaPr(SbO6)2 to be CaPr(SbO3)2" +mp-1517137,CaPr(SbO3)2,-6.808986108,-2.3365220697,0.3579801991,0.3579801991,GGA,Cmmm,AB6CD2_oC20_65_a_ehj_b_f:Ca-O-Pr-Sb,10.0,AB6CD2_oC20_65_a_ehj_b_f:Ca-O-Pr-Sb +mp-1517275,CaPr(SbO3)2,-6.644931857,-2.1724678188,0.52203445,0.52203445,GGA,Fm-3m,AB6CD2_cF40_225_a_d_b_c:Ca-O-Pr-Sb,10.0,AB6CD2_cF40_225_a_d_b_c:Ca-O-Pr-Sb +mp-1519847,CaPrMnSbO6,-7.581202954,-2.6054375105,0.161744479,0.161744479,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Pr-Sb +mp-1566038,Ca2MnSbO6,-7.308254733,-2.610019877,0.0050573231,0.0050573231,GGA+U,P-1,A2BC6D_aP20_2_2i_ah_6i_be:Ca-Mn-O-Sb,40.0,"Invalid WP multiplicities - A2BC6D_aP20_2_4i_2a2h_12i_be:Ca-Mn-O-Sb, expected Ca4Mn2SbO12 to be Ca2MnSbO6" +mp-557843,Ca2MnSbO6,-7.2975267543,-2.5992918983,0.0157853019,0.0157853019,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Ca-Mn-O-Sb,40.0,A2BC6D_mP20_11_2e_a_2e2f_c:Ca-Mn-O-Sb +mp-1227483,Ca2MnSbO6,-7.300543457,-2.602308601,0.0127685991,0.0127685991,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Mn-O-Sb,40.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Mn-O-Sb +mp-21131,CaMnSb2,-5.3612949312,-0.5048905182,0.0532808063,0.0532808063,GGA,Pnma,ABC2_oP16_62_c_c_2c:Ca-Mn-Sb,16.0,ABC2_oP16_62_c_c_2c:Ca-Mn-Sb +mp-1205343,CaMnSb2,-5.36008949,-0.503685077,0.0544862475,0.0544862475,GGA,P4/nmm,ABC2_tP8_129_c_a_bc:Ca-Mn-Sb,8.0,ABC2_tP8_129_c_a_bc:Ca-Mn-Sb +mp-1227588,Ca4Mn3SbO12,-7.49716678,-2.5472812214,0.0283955707,0.0283955707,GGA+U,P-1,A4B3C12D_aP20_2_2i_abe_6i_h:Ca-Mn-O-Sb,20.0,"Invalid WP multiplicities - A4B3C12D_aP20_2_2i_abe_10i_h:Ca-Mn-O-Sb, expected Ca4Mn3SbO20 to be Ca4Mn3SbO12" +mp-1639712,Ca4Mn3SbO12,-7.4959362162,-2.5460506577,0.0296261345,0.0296261345,GGA+U,P-1,A4B3C12D_aP40_2_4i_bcdhi_12i_i:Ca-Mn-O-Sb,40.0,"Invalid WP multiplicities - A4B3C12D_aP40_2_8i_bcdhi_24i_i:Ca-Mn-O-Sb, expected Ca8Mn3SbO24 to be Ca4Mn3SbO12" +mp-581681,Ca21(Mn2Sb9)2,-4.5087844138,-0.9486057867,0.0164187573,0.0164187573,GGA,C2/m,A21B4C18_mC172_12_3i9j_2ij_gh8i4j:Ca-Mn-Sb,86.0,"Invalid WP multiplicities - A21B4C18_mC172_12_5i34j_4i4j_2g2h15i15j:Ca-Mn-Sb, expected Ca73Mn12Sb49 to be Ca21(Mn2Sb9)2" +mp-30217,Ca21(Mn2Sb9)2,-4.5101084864,-0.9499298592,0.0150946848,0.0150946848,GGA,C2/c,A21B4C18_mC172_15_e10f_4e_9f:Ca-Mn-Sb,86.0,A21B4C18_mC172_15_e10f_4e_9f:Ca-Mn-Sb +mp-1214039,Ca3Pr2Sb3O14,-7.2239823923,-2.8049252638,0.0,-0.000261943,GGA,C2/m,A3B14C2D3_mC44_12_abc_3i2j_f_de:Ca-O-Pr-Sb,22.0,A3B14C2D3_mC44_12_abc_3i2j_e_df:Ca-O-Pr-Sb +mp-1078314,EuMnBi2,-7.0897056887,-0.3147068507,0.1827576255,0.1827576255,GGA,I4/mmm,A2BC_tI16_139_ce_e_d:Bi-Eu-Mn,8.0,A2BC_tI16_139_ce_e_d:Bi-Eu-Mn +mp-695396,Na3SrTiNb3O12,-8.150369041,-2.9895319907,0.0334336395,0.0334336395,GGA,P-1,A3B3C12DE_aP40_2_3i_abcefh_12i_i_dg:Na-Nb-O-Sr-Ti,40.0,"Invalid WP multiplicities - A3B3C12DE_aP40_2_5i_abcefh_23i_i_dg:Na-Nb-O-Sr-Ti, expected Na5SrTiNb3O23 to be Na3SrTiNb3O12" +mp-677431,Na3SrTiNb3O12,-8.1543673763,-2.993530326,0.0294353042,0.0294353042,GGA,P2/c,A3B3C12DE_mP40_13_e2f_abd_6g_e_c:Na-Nb-O-Sr-Ti,40.0,"Invalid WP multiplicities - A3B3C12DE_mP40_13_2e3f_2bc2d_23g_e_a:Na-Nb-O-Sr-Ti, expected Na5SrTiNb5O46 to be Na3SrTiNb3O12" +mp-677709,Na3Sr7Ti7Nb3O30,-8.3122063629,-3.3168653503,0.0241284589,0.0241284589,GGA,P1,A3B3C30D7E7_aP100_1_6a_6a_60a_14a_14a:Na-Nb-O-Sr-Ti,100.0,A3B3C30D7E7_aP100_1_6a_6a_60a_14a_14a:Na-Nb-O-Sr-Ti +mp-1046027,Ba2AlTlSn2O7,-5.9850443054,-1.9394955711,0.6076697183,0.6076697183,GGA,P4/mmm,AB2C7D2E_tP13_123_b_g_ahi_h_c:Al-Ba-O-Sn-Tl,13.0,"Invalid WP multiplicities - AB2C7D2E_tP13_123_b_g_a2h2i_h_c:Al-Ba-O-Sn-Tl, expected Ba2AlTlSn2O13 to be Ba2AlTlSn2O7" +mp-1214532,Ba6Sm2Al4O15,-7.4603917685,-3.381367476,0.0,-0.0073948206,GGA,P2/c,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Sm,54.0,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Sm +mp-1229173,Ba12Sm4Al3(CoO6)5,-7.2315833554,-2.8411940661,0.0174548939,0.0174548939,GGA+U,P1,A3B12C5D30E4_aP54_1_3a_12a_5a_30a_4a:Al-Ba-Co-O-Sm,54.0,A3B12C5D30E4_aP54_1_3a_12a_5a_30a_4a:Al-Ba-Co-O-Sm +mp-754723,Li2Ti3BiO8,-7.9350818536,-2.8694875248,0.1139082707,0.1139082707,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Bi-Li-O-Ti,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Bi-Li-O-Ti, expected Li2Ti3BiO22 to be Li2Ti3BiO8" +mp-1233009,BaLiTi2Bi2O,-5.3666798071,-0.7600299770000001,0.5052073533,0.5052073533,GGA,Pmmm,AB2CDE2_oP7_47_b_l_d_a_ce:Ba-Bi-Li-O-Ti,7.0,AB2CDE2_oP7_47_b_l_d_a_ce:Ba-Bi-Li-O-Ti +mp-1235401,BaLiTi2Bi2O,-5.77121386,-1.1645640298,0.1006733005,0.1006733005,GGA,P4mm,AB2CDE2_tP7_99_a_2b_a_a_c:Ba-Bi-Li-O-Ti,7.0,AB2CDE2_tP7_99_a_2b_a_a_c:Ba-Bi-Li-O-Ti +mp-1235402,BaLiTi2Bi2O,-5.2772223514,-0.6705725212,0.5946648091,0.5946648091,GGA,P4/mmm,AB2CDE2_tP7_123_a_h_d_b_e:Ba-Bi-Li-O-Ti,7.0,AB2CDE2_tP7_123_a_h_d_b_e:Ba-Bi-Li-O-Ti +mp-1207195,Li2TiBi,-3.8684662875,0.0199904325,0.4182886247,0.4182886247,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Bi-Li-Ti,4.0,AB2C_cF16_225_a_c_b:Bi-Li-Ti +mp-630234,Li2Ti3(BiO3)4,-7.1535447702,-2.2856141589,0.2475221493,0.2475221493,GGA,Aea2,A4B2C12D3_oC84_41_2b_b_6b_ab:Bi-Li-O-Ti,42.0,"Invalid WP multiplicities - A4B2C12D3_oC84_41_5b_b_21b_2a2b:Bi-Li-O-Ti, expected LiTi3Bi5O21 to be Li2Ti3(BiO3)4" +mp-1120796,LiTi2BiO6,-7.971964372,-2.8499115422,0.0495464855,0.0495464855,GGA,R3,ABC6D2_hR30_146_a_a_2b_2a:Bi-Li-O-Ti,10.0,ABC6D2_hR30_146_a_a_2b_2a:Bi-Li-O-Ti +mp-1201520,Na5Zr2Si6ClO20,-7.4134065403,-2.7945169288,0.1609303539,0.1609303539,GGA,C2/m,AB5C20D6E2_mC68_12_a_cj_2i4j_gj_h:Cl-Na-O-Si-Zr,34.0,AB5C20D6E2_mC68_12_a_cj_2i4j_gj_h:Cl-Na-O-Si-Zr +mp-867859,Sm2IrRu,-7.3135591425,-0.426056895,0.0887115075,0.0887115075,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Sm,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Sm +mp-1196247,Ba4Sm(RuO4)3,-7.4707021532,-2.4918042507,0.0028728219,0.0028728219,GGA,C2/m,A4B12C3D_mC120_12_6i_6i6j_a4i_ci:Ba-O-Ru-Sm,60.0,A4B12C3D_mC120_12_6i_6i6j_a4i_di:Ba-O-Ru-Sm +mp-6077,Ba3SmRu2O9,-7.4995429303,-2.5965753013,0.0,-0.023663589,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Sm,30.0,"Invalid WP multiplicities - A3B9C2D_hP30_194_2b2f_hk_f_a:Ba-O-Ru-Sm, expected Ba6SmRu2O9 to be Ba3SmRu2O9" +mp-1228168,Ba3SmIrRuO9,-7.4257747647,-2.5518716929,0.0,-0.0017041578,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_b_a:Ba-Ir-O-Ru-Sm,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_b_a:Ba-Ir-O-Ru-Sm, expected Ba5SmIrRuO15 to be Ba3SmIrRuO9" +mp-540692,Ba3SmIr2O9,-6.245649124,-1.4008106096,1.1029491593,1.0287028049,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Sm,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Sm +mp-1205402,Ba3SmIr2O9,-7.3485982833,-2.5037597689,0.0,-0.0742463544,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Sm,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Sm +mp-1228566,Ba2PrIrO6,-7.387241241,-2.6734990328,0.000767364,-0.0507088598,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Ir-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_5e_d:Ba-Ir-O-Pr, expected Ba2PrIrO10 to be Ba2PrIrO6" +mp-558689,Ba2PrIrO6,-7.3869592385,-2.6732170303,0.0010493665,-0.0504268573,GGA,P4/mnc,A2BC6D_tP20_128_d_a_eh_b:Ba-Ir-O-Pr,20.0,"Invalid WP multiplicities - A2BC6D_tP20_128_d_a_2e3h_b:Ba-Ir-O-Pr, expected Ba2PrIrO16 to be Ba2PrIrO6" +mp-6135,Ba2PrIrO6,-7.388008605,-2.6742663968,0.0,-0.0514762238,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Pr +mp-1228216,Ba3PrIrRuO9,-7.39460485,-2.5165471369,0.0,-0.0014347622,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_a_b:Ba-Ir-O-Pr-Ru,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_a_b:Ba-Ir-O-Pr-Ru, expected Ba5PrIrRuO15 to be Ba3PrIrRuO9" +mp-1214562,Ba3PrIr2O9,-7.317497592,-2.4685044363,0.0,-0.0110339068,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Pr,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Pr +mp-1228864,Ba10Pr5Ir(Ru2O15)2,-7.4741070792,-2.7254874022,0.0042545402,0.0042545402,GGA,R-3m,A10BC30D5E4_hR150_166_5c_a_5h_b2c_2c:Ba-Ir-O-Pr-Ru,50.0,"Invalid WP multiplicities - A10BC30D5E4_hR150_166_10c_a_30h_b3c_3c:Ba-Ir-O-Pr-Ru, expected Ba20Pr7Ir(RuO30)6 to be Ba10Pr5Ir(Ru2O15)2" +mp-1520883,SrSmEuSbO6,-8.090728774,-3.0433072844,0.0109937457,0.0109937457,GGA,P-1,AB6CDE_aP20_2_i_6i_ah_be_i:Eu-O-Sb-Sm-Sr,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_be_i:Eu-O-Sb-Sm-Sr, expected SrSmEuSbO12 to be SrSmEuSbO6" +mp-1520873,SrSmEuSbO6,-8.04787751,-3.0004560204,0.0538450097,0.0538450097,GGA,P222,AB6CDE_oP40_16_abcf_6u_u_u_degh:Eu-O-Sb-Sm-Sr,,AB6CDE_oP40_16_abcf_6u_u_u_degh:Eu-O-Sb-Sm-Sr +mp-1520782,SrSmEuSbO6,-8.005718414,-2.9582969244,0.0960041057,0.0960041057,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Sb-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:Eu-O-Sb-Sm-Sr +mp-1520565,BaSrTbCeO6,-7.7543677245,-3.3687621329,0.0738105179,0.0738105179,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ce-O-Sr-Tb,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ce-O-Sr-Tb, expected BaSrTbCeO12 to be BaSrTbCeO6" +mp-1520676,BaSrTbCeO6,-7.745008965,-3.3594033734,0.0831692774,0.0831692774,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Tb,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-Tb +mp-1520453,BaSrTbCeO6,-7.671113817,-3.2855082254,0.1570644254,0.1570644254,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-Tb +mp-1520056,Ba2TbCeO6,-7.7685603015,-3.3600065612,0.0439730554,0.0439730554,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Tb,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-Tb +mp-1519936,Ba2TbCeO6,-7.743432715,-3.3348789748,0.0691006419,0.0691006419,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-Tb +mp-756106,TbCeO4,-8.6148097008,-3.5557746842,0.0690240725,0.0690240725,GGA,P2_1/m,AB4C_mP12_11_e_2f_e:Ce-O-Tb,12.0,"Invalid WP multiplicities - AB4C_mP12_11_e_3f_e:Ce-O-Tb, expected TbCeO6 to be TbCeO4" +mp-1217560,TbCeO4,-8.6061057033,-3.5470706867,0.07772807,0.07772807,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ce-O-Tb,6.0,AB4C_tP6_123_a_i_d:Ce-O-Tb +mp-753726,TbCeO4,-8.608849615,-3.5498145983,0.0749841583,0.0749841583,GGA,I4_1/amd,AB4C_tI24_141_a_f_b:Ce-O-Tb,12.0,AB4C_tI24_141_a_f_b:Ce-O-Tb +mp-1101343,TbCeO4,-8.6213514379,-3.5623164212,0.0624823354,0.0624823354,GGA,I4_1/amd,AB4C_tI48_141_c_abeg_d:Ce-O-Tb,24.0,"Invalid WP multiplicities - AB4C_tI48_141_c_2a2b4e6g_d:Ce-O-Tb, expected TbCeO18 to be TbCeO4" +mp-1101336,TbCeO4,-8.6014825499,-3.5424475332,0.0823512234,0.0823512234,GGA,P2_13,AB4C_cP96_198_ab_4a4b_ab:Ce-O-Tb,96.0,"Invalid WP multiplicities - AB4C_cF96_227_c_6a8b12f_d:Ce-O-Tb, expected TbCeO43 to be TbCeO4" +mp-777760,TbCeO4,-8.6004431875,-3.5414081708,0.0833905858,0.0833905858,GGA,F-43m,AB4C_cF96_216_e_abcdfg_e:Ce-O-Tb,24.0,"Invalid WP multiplicities - AB4C_cF96_227_c_2a2b4f_d:Ce-O-Tb, expected TbCeO14 to be TbCeO4" +mp-891027,TbCeO4,-8.5970863254,-3.5380513087,0.0867474479,0.0867474479,GGA,Fd-3m,AB4C_cF96_227_c_abf_d:Ce-O-Tb,24.0,"Invalid WP multiplicities - AB4C_cF96_227_c_2a2b4f_d:Ce-O-Tb, expected TbCeO14 to be TbCeO4" +mp-1217590,TbCe3O8,-8.9043697617,-3.7371078237,0.0399472033,0.0399472033,GGA,I4/mmm,A3B8C_tI24_139_ad_m_b:Ce-O-Tb,12.0,"Invalid WP multiplicities - A3B8C_tI24_139_a2d_m_b:Ce-O-Tb, expected TbCe5O8 to be TbCe3O8" +mp-1518140,SrEuGdSbO6,-9.043065845,-3.0598907449,0.0,-0.0078857496,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Eu-Gd-O-Sb-Sr,,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Eu-Gd-O-Sb-Sr, expected SrEuGdSbO12 to be SrEuGdSbO6" +mp-1518060,SrEuGdSbO6,-8.965969003,-2.9827939029,0.077096842,0.0692110924,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Eu-Gd-O-Sb-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Eu-Gd-O-Sb-Sr +mp-1518962,BaCaCeGeO6,-7.456679169,-3.0405967593,0.1850868843,0.1850868843,GGA,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Ge-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-Ca-Ce-Ge-O +mp-16252,BaCaGe,-3.4320074583,-0.5828065667,0.0,-0.02975284,GGA,Pnma,ABC_oP12_62_c_c_c:Ba-Ca-Ge,12.0,ABC_oP12_62_c_c_c:Ba-Ca-Ge +mp-1216524,Tm2Ga3Cu,-4.2756357583,-0.5864414943,0.0,-0.0438582434,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Tm,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Tm +mp-1187631,Tm2GaCu,-4.4570988975,-0.4373555127,0.0203241512,0.0203241512,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ga-Tm,4.0,ABC2_cF16_225_a_b_c:Cu-Ga-Tm +mp-1187604,TmGaCu2,-4.2780055775,-0.352419381,0.0402839333,0.0402839333,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ga-Tm,4.0,A2BC_cF16_225_c_a_b:Cu-Ga-Tm +mp-1208765,Sr2TmGaCu2O7,-6.6372725927000005,-2.5058762334,0.0278107371,0.0278107371,GGA,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Tm,26.0,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Tm +mp-6036,CaCu3(RuO3)4,-7.0104330855,-1.4723783563,0.0272692275,0.0272692275,GGA,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Ru,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-Ru +mp-1227781,CaGa2Cu3(RuO6)2,-6.582416105,-1.6689920275,0.0291835055,0.0291835055,GGA,C2/m,AB3C2D12E2_mC40_12_a_bcd_f_2i2j_e:Ca-Cu-Ga-O-Ru,20.0,AB3C2D12E2_mC40_12_a_bcd_e_2i2j_f:Ca-Cu-Ga-O-Ru +mp-720504,CaGa2Cu3(RuO6)2,-6.5829068563,-1.6694827787,0.0286927542,0.0286927542,GGA,Pn-3,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Ga-O-Ru,40.0,AB3C2D12E2_cP40_201_a_d_b_h_c:Ca-Cu-Ga-O-Ru +mp-1194190,Ba3BiIr2O9,-6.8931304847,-2.1068317706,0.0037184786,0.0037184786,GGA,C2/c,A3BC2D9_mC60_15_ef_a_f_e4f:Ba-Bi-Ir-O,30.0,A3BC2D9_mC60_15_ef_c_f_e4f:Ba-Bi-Ir-O +mp-1078727,Ba2BiIrO6,-6.752426851,-2.1327263053,0.0112112374,0.0112112374,GGA,P-1,A2BCD6_aP10_2_i_b_e_3i:Ba-Bi-Ir-O,10.0,A2BCD6_aP10_2_i_b_e_3i:Ba-Bi-Ir-O +mp-1095109,Ba2BiIrO6,-6.746425553,-2.1267250073,0.0172125354,0.0172125354,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ir-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Ir-O +mp-1228299,Ba3Bi2RuO9,-6.7091485787,-2.2269816439,0.0,-0.0012545662,GGA,P-1,A3B2C9D_aP30_2_3i_aci_9i_i:Ba-Bi-O-Ru,30.0,"Invalid WP multiplicities - A3B2C9D_aP30_2_6i_aci_18i_i:Ba-Bi-O-Ru, expected Ba6Bi2RuO18 to be Ba3Bi2RuO9" +mp-561147,Ba2BiRuO6,-6.8609800395,-2.1976826577,0.0197991718,0.0197991718,GGA,P6_3/mmc,A2BC6D_hP40_194_acf_f_ghk_e:Ba-Bi-O-Ru,40.0,"Invalid WP multiplicities - A2BC6D_hP40_194_2ac2f_f_5g5h8k_e:Ba-Bi-O-Ru, expected Ba7Bi2(RuO39)2 to be Ba2BiRuO6" +mp-1199190,Ba4Bi(IrO4)3,-6.9634544007,-2.0938566024,0.0,-0.0077630758,GGA,C2/m,A4BC3D12_mC120_12_6i_ai_c4i_6i6j:Ba-Bi-Ir-O,60.0,A4BC3D12_mC120_12_6i_ai_d4i_6i6j:Ba-Bi-Ir-O +mp-1228361,Ba3BiIrRuO9,-6.9760085847,-2.1606453132,0.0,-0.0012746339,GGA,Cc,A3BCD9E_mC60_9_3a_a_a_9a_a:Ba-Bi-Ir-O-Ru,30.0,"Invalid WP multiplicities - A3BCD9E_mC60_9_4a_a_a_13a_a:Ba-Bi-Ir-O-Ru, expected Ba4BiIrRuO13 to be Ba3BiIrRuO9" +mp-556602,Ba3BiRu2O9,-7.0491350743,-2.2047072456,0.0032747697,0.0032747697,GGA,C2/c,A3BC9D2_mC60_15_ef_a_e4f_f:Ba-Bi-O-Ru,30.0,"Invalid WP multiplicities - A3BC9D2_mC60_15_2e2f_c_2e9f_f:Ba-Bi-O-Ru, expected Ba6Bi(RuO10)2 to be Ba3BiRu2O9" +mp-1520404,BaEuDyMnO6,-8.455846869,-2.893355755,0.1470889589,0.1470889589,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Dy-Eu-Mn-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Dy-Eu-Mn-O +mp-1228941,AlSi3AgO8,-7.7542156481,-2.9520929086,0.0205781262,0.0205781262,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Ag-Al-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Ag-Al-O-Si +mp-1337071,AlSi3AgO8,-0.4561894881,4.3459332514,7.3186042862,7.3186042862,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Ag-Al-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Ag-Al-O-Si +mp-1228502,Al2SiAg7,-3.268666767,0.0057694043,0.0667570179,0.0667570179,GGA,P2_1,A7B2C_mP20_4_7a_2a_a:Ag-Al-Si,20.0,"Invalid WP multiplicities - A7B2C_mP20_4_13a_2a_a:Ag-Al-Si, expected Al2SiAg13 to be Al2SiAg7" +mp-1228164,AlSiAgO4,-7.229074315,-2.6876164995,0.0318879171,0.0318879171,GGA,R3c,ABC4D_hR126_161_b_b_4b_b:Ag-Al-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_161_b_b_19b_b:Ag-Al-O-Si, expected AlSiAgO19 to be AlSiAgO4" +mp-1518228,EuNbZnBiO6,-7.881568139,-2.3677009542,0.2081799877,0.2081799877,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Nb-O-Zn,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-Eu-Nb-O-Zn +mp-1516191,Eu2NbZnO6,-9.025488622,-2.8699701703,0.1183077568,0.1183077568,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Zn,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Zn +mp-1517867,Eu2NbBiO6,-9.2035723135,-2.7899793097,0.1288909696,0.1288909696,GGA,Pn-3,AB2CD6_cP40_201_b_ad_c_h:Bi-Eu-Nb-O,40.0,AB2CD6_cP40_201_b_ad_c_h:Bi-Eu-Nb-O +mp-1517980,Eu2NbBiO6,-9.094887637,-2.6812946332000003,0.2375756461,0.2375756461,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_e:Bi-Eu-Nb-O,10.0,AB2CD6_cF40_225_a_c_b_e:Bi-Eu-Nb-O +mp-1225393,Eu2ZnBi2,-6.5021223500000005,-0.6111772560000001,0.0899955126,0.0899955126,GGA,P-6m2,A2B2C_hP5_187_bc_i_a:Bi-Eu-Zn,5.0,A2B2C_hP5_187_bc_i_a:Bi-Eu-Zn +mp-1519309,BaSrPrNbO6,-8.171400739,-3.3543195934,0.0334731023,0.0334731023,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Nb-O-Pr-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Nb-O-Pr-Sr, expected BaSrPrNbO12 to be BaSrPrNbO6" +mp-1519348,BaSrPrNbO6,-8.161678231,-3.3445970854,0.0431956103,0.0431956103,GGA,P222,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Pr-Sr,40.0,ABC6DE_oP40_16_abch_u_6u_u_defg:Ba-Nb-O-Pr-Sr +mp-1519420,BaSrPrNbO6,-8.109862083,-3.2927809374,0.0950117583,0.0950117583,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Nb-O-Pr-Sr +mp-1209013,Sr2EuTaO6,-8.8796070915,-3.3622172311,0.0048908342,0.0048908342,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Eu-O-Sr-Ta,20.0,AB6C2D_mP20_14_a_3e_e_b:Eu-O-Sr-Ta +mp-1218839,Sr2EuTa(CuO4)2,-7.8899190243,-2.6566554981,0.0276196993,0.0276196993,GGA,Amm2,A2BC8D2E_oC28_38_c_b_cdf_c_a:Cu-Eu-O-Sr-Ta,14.0,A2BC8D2E_oC28_38_c_b_cdf_c_a:Cu-Eu-O-Sr-Ta +mp-1208877,Sr2EuTa(CuO4)2,-7.8908458179,-2.6575822917,0.0266929057,0.0266929057,GGA,P4/mmm,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Eu-O-Sr-Ta,14.0,A2BC8D2E_tP14_123_g_c_egi_h_b:Cu-Eu-O-Sr-Ta +mp-1520949,SrCaCrBiO6,-6.981200797,-2.2943245769,0.1893931725,0.1893931725,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Cr-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Cr-O-Sr +mp-756288,Li3Cu4SnO8,-5.6091511562,-1.5024838547,0.0486032952,0.0486032952,GGA,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Cu-Li-O-Sn,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ace_d2f_3i2j_b:Cu-Li-O-Sn, expected Li5Cu4SnO14 to be Li3Cu4SnO8" +mp-1078460,Li2CuSn2,-3.497377589,-0.3101383663,0.0,-0.0389704825,GGA,I4_1/amd,AB2C2_tI20_141_a_e_e:Cu-Li-Sn,10.0,AB2C2_tI20_141_a_e_e:Cu-Li-Sn +mp-755399,Li2CuSnO4,-5.8061535162,-1.8419811283,0.0628688478,0.0628688478,GGA,P2/m,AB2C4D_mP8_10_b_dh_mn_c:Cu-Li-O-Sn,8.0,"Invalid WP multiplicities - AB2C4D_mP8_10_b_eg_2m2n_c:Cu-Li-O-Sn, expected Li2CuSnO8 to be Li2CuSnO4" +mp-756431,Li2CuSnO4,-5.805847645,-1.8416752571,0.0631747191,0.0631747191,GGA,Imma,AB2C4D_oI32_74_a_bc_hi_d:Cu-Li-O-Sn,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_4h3i_d:Cu-Li-O-Sn, expected Li4CuSnO14 to be Li2CuSnO4" +mp-1177995,Li2CuSnO4,-5.7931142612,-1.8289418733,0.0759081028,0.0759081028,GGA,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Cu-Li-O-Sn,8.0,"Invalid WP multiplicities - AB2C4D_tI16_119_a_bc_2e2f_d:Cu-Li-O-Sn, expected Li2CuSnO8 to be Li2CuSnO4" +mp-770470,Li5Cu5(SnO6)2,-5.6397802125,-1.5806112155,0.0883968765,0.0883968765,GGA,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Cu-Li-O-Sn,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Cu-Li-O-Sn, expected Li9Cu5(SnO6)2 to be Li5Cu5(SnO6)2" +mp-775145,Li4Nb3Cu3(SnO8)2,-7.0863105454,-2.179046628,0.1250799592,0.1250799592,GGA,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Nb-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Nb-O-Sn, expected Li4Nb3Cu3(SnO10)2 to be Li4Nb3Cu3(SnO8)2" +mp-30591,Li2CuSn,-3.3075175875,-0.3258615229,0.0,-0.028172111,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cu-Li-Sn,4.0,AB2C_cF16_216_a_bc_d:Cu-Li-Sn +mp-569834,LiCu2Sn,-3.7183462412,-0.1891192258,0.0047172531,0.0047172531,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Cu-Li-Sn,8.0,A2BC_hP8_194_f_a_c:Cu-Li-Sn +mp-631358,SrTa2Mn,-7.5087342675,1.1330317339,1.2168711905,1.2168711905,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Sr-Ta,4.0,ABC2_cF16_225_a_b_c:Mn-Sr-Ta +mp-1284552,Sr2TaMnO6,-8.514087896,-3.1061966864,0.0,-0.0220073721,GGA+U,C2/m,AB6C2D_mC40_12_ad_2i2j_2i_i:Mn-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB6C2D_mC40_12_ac_4i8j_4i_i:Mn-O-Sr-Ta, expected Sr4TaMnO20 to be Sr2TaMnO6" +mp-1272719,Sr2TaMnO6,-8.512449745,-3.1045585354,0.001638151,-0.0203692211,GGA+U,I4/mmm,AB6C2D_tI20_139_a_eh_d_b:Mn-O-Sr-Ta,40.0,"Invalid WP multiplicities - AB6C2D_tI20_139_a_2e3h_d_b:Mn-O-Sr-Ta, expected Sr2TaMnO16 to be Sr2TaMnO6" +mp-1218683,Sr2TaMnO6,-8.489632408,-3.0817411984,0.024455488,0.0024481159,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Ta,10.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-Ta +mp-684742,SrLaTaMnO6,-9.0515031883,-3.3189606135,0.0,-0.0202414035,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sr-Ta,40.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Sr-Ta +mp-1201372,LiSmEu2O4,-9.0073855156,-3.1413520848,0.0221826182,0.0221826182,GGA,Pnma,A2BC4D_oP32_62_2c_c_4c_c:Eu-Li-O-Sm,32.0,A2BC4D_oP32_62_2c_c_4c_c:Eu-Li-O-Sm +mp-1228957,CsLa2TaTi2O10,-9.0185366219,-3.525845037,0.0245061245,0.0245061245,GGA,Cm,AB2C10DE2_mC32_8_a_2a_4a3b_a_2a:Cs-La-O-Ta-Ti,16.0,AB2C10DE2_mC32_8_a_2a_4a3b_a_2a:Cs-La-O-Ta-Ti +mp-1517595,BaCaCrBiO6,-6.992760018,-2.2829356492,0.1998364409,0.1998364409,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Cr-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Bi-Ca-Cr-O +mp-1519726,Ba2CrBiO6,-7.0233414815,-2.3221796067,0.1128885484,0.1128885484,GGA+U,Pn-3,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Cr-O,40.0,A2BCD6_cP40_201_ad_b_c_h:Ba-Bi-Cr-O +mp-1519532,Ba2CrBiO6,-7.047183546,-2.3460216712,0.0890464839,0.0890464839,GGA+U,Fm-3m,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Cr-O,10.0,A2BCD6_cF40_225_c_a_b_e:Ba-Bi-Cr-O +mp-1223350,La2GaFeO6,-8.0783210872,-2.9732947163,0.0191712783,0.0191712783,GGA+U,P2_1/c,ABC2D6_mP20_14_a_d_e_3e:Fe-Ga-La-O,40.0,ABC2D6_mP20_14_a_b_e_3e:Fe-Ga-La-O +mp-1223050,La4Ga3FeO12,-7.8686635031,-3.0357333915,0.0261210102,0.0261210102,GGA+U,P-1,AB3C4D12_aP20_2_a_beh_2i_6i:Fe-Ga-La-O,80.0,AB3C4D12_aP20_2_a_beh_2i_6i:Fe-Ga-La-O +mp-1223288,La4Ga3FeO12,-7.8622507563,-3.0293206446,0.0325337571,0.0325337571,GGA+U,P-1,AB3C4D12_aP20_2_b_ci_2i_6i:Fe-Ga-La-O,40.0,AB3C4D12_aP20_2_b_di_2i_6i:Fe-Ga-La-O +mp-1235609,LiLa4Ga2(FeO6)2,-7.7736658167,-2.8208348506,0.1356453905,0.1356453905,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O +mp-1235621,LiLa4Ga2(FeO6)2,-7.7495308152,-2.7966998492,0.159780392,0.159780392,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O +mp-1235627,LiLa4Ga2(FeO6)2,-7.7712441457,-2.8184131797000003,0.1380670615,0.1380670615,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O +mp-1236274,LiLa4Ga2(FeO6)2,-7.7537476738,-2.8009167078,0.1555635334,0.1555635334,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Li-O +mp-1222997,Li3LaGa8,-3.1819263633,-0.2746310396,0.0867755755,0.0867755755,GGA,Pmmm,A8BC3_oP12_47_2j2l_a_bk:Ga-La-Li,12.0,"Invalid WP multiplicities - A8BC3_oP12_47_4j3l_a_b2k:Ga-La-Li, expected Li5LaGa14 to be Li3LaGa8" +mp-1518745,SrEuFeBiO6,-7.618106048,-2.2243922619,0.1348030259,0.1348030259,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Fe-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Eu-Fe-O-Sr +mp-821676,Sr7SmFe4(MoO6)4,-6.4128589940000005,-1.0996526275,1.4792050402,1.4792050402,GGA+U,P1,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Sm-Sr,40.0,A4B4C24DE7_aP40_1_4a_4a_24a_a_7a:Fe-Mo-O-Sm-Sr +mp-1370970,Zn2FeSbO6,-6.2152398845,-1.7353756908,0.0824501547,0.0824501547,GGA+U,P2_1/m,AB6CD2_mP20_11_a_2e2f_d_2e:Fe-O-Sb-Zn,20.0,"Invalid WP multiplicities - AB6CD2_mP20_11_a_4e6f_c_2e:Fe-O-Sb-Zn, expected Zn2FeSbO16 to be Zn2FeSbO6" +mp-20768,ZnFeSb,-4.23557837,0.3840103167,0.4828256706,0.4828256706,GGA,F-43m,ABC_cF12_216_a_c_b:Fe-Sb-Zn,3.0,ABC_cF12_216_a_c_b:Fe-Sb-Zn +mp-1042677,Zn3Fe4(SbO4)6,-6.544680017,-1.6486299581,0.1941667235,0.1941667235,GGA+U,P-1,A4B24C6D3_aP37_2_2i_12i_3i_ai:Fe-O-Sb-Zn,37.0,"Invalid WP multiplicities - A4B24C6D3_aP37_2_2i_13i_5i_ai:Fe-O-Sb-Zn, expected Zn3Fe4(Sb5O13)2 to be Zn3Fe4(SbO4)6" +mp-1215525,ZnFeSb2,-4.5627229675,-0.0657811425,0.0611314138,0.0611314138,GGA,P-3m1,AB2C_hP4_164_a_d_b:Fe-Sb-Zn,4.0,AB2C_hP4_164_a_d_b:Fe-Sb-Zn +mp-1212768,EuAlGe2O7,-7.9341062589,-2.6727013208,0.0,-0.0085575297,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Al-Eu-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Al-Eu-Ge-O +mp-1226088,Dy10Al4Ge11,-5.204001702,-0.727862577,0.0140624178,0.0140624178,GGA,C2/m,A4B10C11_mC50_12_2i_5i_a5i:Al-Dy-Ge,25.0,"Invalid WP multiplicities - A4B10C11_mC50_12_3i_10i_a10i:Al-Dy-Ge, expected Dy20(Al2Ge7)3 to be Dy10Al4Ge11" +mp-20151,Eu(AlGe)2,-5.831449732,-0.432607898,0.0,-0.0768461295,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Eu-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Eu-Ge +mp-1206175,EuAlGe,-6.7490989017,-0.54056374,0.0,-0.0054897321,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Eu-Ge,6.0,ABC_tI12_109_a_a_a:Al-Eu-Ge +mp-1213267,Dy2AlGe3,-5.1107666288,-0.6393944496,0.0044664566,0.0044664566,GGA,Pnma,AB2C3_oP24_62_c_2c_3c:Al-Dy-Ge,24.0,AB2C3_oP24_62_c_2c_3c:Al-Dy-Ge +mp-1189494,Dy2Al3Ge4,-4.7496648211,-0.4227300889,0.0252227978,0.0252227978,GGA,Cmce,A3B2C4_oC36_64_ae_f_ef:Al-Dy-Ge,18.0,A3B2C4_oC36_64_ae_f_ef:Al-Dy-Ge +mp-1076977,DyAlGe,-4.98028951,-0.655159335,0.0,-0.0435075148,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Dy-Ge,6.0,ABC_oC12_63_a_c_c:Al-Dy-Ge +mp-21382,Dy2AlGe2,-5.165402911,-0.724361867,0.016589263,0.016589263,GGA,P4/mbm,AB2C2_tP10_127_a_h_g:Al-Dy-Ge,10.0,AB2C2_tP10_127_a_h_g:Al-Dy-Ge +mp-1213060,DyAlGe2O7,-7.6240868543,-2.8763378217,0.0062972518,0.0062972518,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:Al-Dy-Ge-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:Al-Dy-Ge-O +mp-1206601,Dy(AlGe)2,-4.680087296,-0.411288454,0.0,-0.018192853,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Dy-Ge,5.0,A2BC2_hP5_164_d_a_d:Al-Dy-Ge +mp-1190090,EuAl2Ge,-6.0374975394,-0.4447022106,0.0,-0.0168310369,GGA,Pnma,A2BC_oP16_62_2c_c_c:Al-Eu-Ge,16.0,A2BC_oP16_62_2c_c_c:Al-Eu-Ge +mp-578650,Na3Nb34Al2O64,-9.3527673312,-2.8334355213,0.0,-0.0167132894,GGA,R-3,A2B3C34D64_hR309_148_c_ac_2c5f_2c10f:Al-Na-Nb-O,103.0,"Invalid WP multiplicities - A2B3C34D64_hR309_148_c_ac_4c23f_4c57f:Al-Na-Nb-O, expected Na3Nb146Al2O350 to be Na3Nb34Al2O64" +mp-2228376,MgMn(SbO3)4,-6.7915643933,-1.9783107913,0.1257300547,0.1257300547,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-Sb +mp-2228838,MgMn(SbO3)4,-6.7842071167,-1.9709535146,0.1330873314,0.1330873314,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-Sb,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-Sb +mp-1275484,Mg2MnSbO6,-6.978558261,-2.361387371,0.0773305798,0.0773305798,GGA+U,P2_1/m,A2BC6D_mP20_11_2e_a_2e2f_d:Mg-Mn-O-Sb,40.0,A2BC6D_mP20_11_2e_a_2e2f_c:Mg-Mn-O-Sb +mp-2218908,MgMn3SbO8,-7.6623880662,-2.0632467695,0.1134604663,0.1134604663,GGA+U,P-1,AB3C8D_aP13_2_a_bdg_4i_e:Mg-Mn-O-Sb,13.0,"Invalid WP multiplicities - AB3C8D_aP13_2_a_bdg_8i_e:Mg-Mn-O-Sb, expected MgMn3SbO16 to be MgMn3SbO8" +mp-2230809,MgMn5SbO12,-7.7926588216,-1.955836596,0.1087073362,0.1087073362,GGA+U,P1,AB5C12D_aP19_1_a_5a_12a_a:Mg-Mn-O-Sb,19.0,AB5C12D_aP19_1_a_5a_12a_a:Mg-Mn-O-Sb +mp-2227155,MgMnSbO4,-6.9859754843,-2.0319681376,0.2341735658,0.2341735658,GGA+U,P2/m,ABC4D_mP7_10_d_c_mn_b:Mg-Mn-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_e_b_2m2n_c:Mg-Mn-O-Sb, expected MgMnSbO8 to be MgMnSbO4" +mp-2227734,MgMnSbO4,-6.9268311829,-1.9728238361,0.2933178673,0.2933178673,GGA+U,P2/m,ABC4D_mP7_10_d_b_mn_c:Mg-Mn-O-Sb,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_e_c_2m2n_b:Mg-Mn-O-Sb, expected MgMnSbO8 to be MgMnSbO4" +mp-2226718,MgMnSbO4,-6.8909017057,-1.936894359,0.3292473444,0.3292473444,GGA+U,Imm2,ABC4D_oI14_44_a_b_2a2b_a:Mg-Mn-O-Sb,7.0,ABC4D_oI14_44_a_b_2a2b_a:Mg-Mn-O-Sb +mp-2227203,MgMnSbO4,-7.0336233614,-2.0796160147,0.1865256887,0.1865256887,GGA+U,Imm2,ABC4D_oI14_44_a_a_2a2b_b:Mg-Mn-O-Sb,7.0,ABC4D_oI14_44_a_a_2a2b_b:Mg-Mn-O-Sb +mp-2218533,Na3MgMn2SbO6,-6.2833597408,-1.8448197391,0.2360671294,0.2360671294,GGA+U,Cm,AB2C3D6E_mC26_8_a_b_ab_2a2b_a:Mg-Mn-Na-O-Sb,13.0,"Invalid WP multiplicities - AB2C3D6E_mC26_8_a_b_ab_2a3b_a:Mg-Mn-Na-O-Sb, expected Na3MgMn2SbO8 to be Na3MgMn2SbO6" +mp-2230441,MgMn2(SbO3)4,-6.9517665753,-1.909630779,0.1654352795,0.1654352795,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb +mp-2228361,MgMn2(SbO3)4,-7.0308547721,-1.9887189758,0.0863470826,0.0863470826,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb +mp-2230465,MgMn2(SbO3)4,-7.0332121095,-1.9910763132,0.0839897453,0.0839897453,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb +mp-2230027,MgMn2(SbO3)4,-7.0414644305,-1.9993286343,0.0757374242,0.0757374242,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Mn-O-Sb +mp-2230252,MgMn2(SbO3)4,-6.9589433126,-1.9168075164,0.1582585421,0.1582585421,GGA+U,P2,AB2C12D4_mP19_3_a_bc_6e_2b2c:Mg-Mn-O-Sb,19.0,"Invalid WP multiplicities - AB2C12D4_mP19_3_c_ab_12e_2a2b:Mg-Mn-O-Sb, expected MgMn2(SbO6)4 to be MgMn2(SbO3)4" +mp-2217260,MgMn(SbO3)2,-6.920388122,-2.050345113,0.1099420888,0.1099420888,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Mg-Mn-O-Sb,10.0,ABC6D2_aP10_1_a_a_6a_2a:Mg-Mn-O-Sb +mp-2217076,MgMn(SbO3)2,-6.787845931,-1.917802922,0.2424842798,0.2424842798,GGA+U,P312,ABC6D2_hP10_149_a_c_l_bf:Mg-Mn-O-Sb,10.0,ABC6D2_hP10_149_a_c_l_bf:Mg-Mn-O-Sb +mp-2217167,MgMn(SbO3)2,-6.781260216,-1.911217207,0.2490699948,0.2490699948,GGA+U,P312,ABC6D2_hP10_149_a_b_l_ce:Mg-Mn-O-Sb,10.0,ABC6D2_hP10_149_a_b_l_ce:Mg-Mn-O-Sb +mp-1048171,Ba2AlCr3O8,-7.8712375307,-2.4343676871,0.380673917,0.380673917,GGA+U,P4/mmm,AB2C3D8_tP14_123_c_h_bg_egi:Al-Ba-Cr-O,14.0,"Invalid WP multiplicities - AB2C3D8_tP14_123_c_h_b2g_2e2g2i:Al-Ba-Cr-O, expected Ba2AlCr5O16 to be Ba2AlCr3O8" +mp-1048544,BaAlCr4O7,-8.17781175,-2.1083070093,0.4317697942,0.4317697942,GGA+U,P6_3mc,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Cr-O,26.0,ABC4D7_hP26_186_b_b_ac_a2c:Al-Ba-Cr-O +mp-1042497,BaAlCrCuO5,-7.0421281922,-2.1365450293,0.9613345088,0.9613345088,GGA+U,P4mm,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cr-Cu-O,9.0,ABCDE5_tP9_99_b_b_a_a_a2c:Al-Ba-Cr-Cu-O +mp-1048330,Ba2AlCr3O7,-7.8042069869,-2.3296309024,0.3852474413,0.3852474413,GGA+U,Pmmm,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Cr-O,13.0,AB2C3D7_oP13_47_f_k_cj_aijl:Al-Ba-Cr-O +mp-1045721,AlCr4(CuO4)3,-7.4154391275,-1.7146566148,1.1965074196,1.1965074196,GGA+U,Im-3,AB4C3D12_cI40_204_a_c_b_g:Al-Cr-Cu-O,20.0,AB4C3D12_cI40_204_a_c_b_g:Al-Cr-Cu-O +mp-1519673,PrEuDySiO6,-8.916251066000001,-3.4412365967,0.1969861427,0.1969861427,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-Eu-O-Pr-Si,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-Eu-O-Pr-Si +mp-1047907,BaMnZnF7,-5.7317982707,-3.1596896093,0.0112053382,0.0112053382,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mn-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mn-Zn, expected BaMnZnF23 to be BaMnZnF7" +mp-1931566,MnZnF4,-5.7273306392,-2.7160515105,0.0696142775,0.0696142775,GGA+U,C2,A4BC_mC24_5_4c_c_ab:F-Mn-Zn,12.0,"Invalid WP multiplicities - A4BC_aP12_2_8i_ae_i:F-Mn-Zn, expected MnZnF8 to be MnZnF4" +mp-1385907,MnZnF4,-5.2651491967,-2.253870068,0.53179572,0.53179572,GGA+U,C2/c,A4BC_mC24_15_2f_c_e:F-Mn-Zn,12.0,"Invalid WP multiplicities - A4BC_mC24_15_6f_a_e:F-Mn-Zn, expected MnZnF12 to be MnZnF4" +mp-1378417,MnZnF5,-5.5086658175,-2.6545009976,0.0419913868,0.0419913868,GGA+U,P2_1/c,A5BC_mP28_14_5e_e_e:F-Mn-Zn,28.0,A5BC_mP28_14_5e_e_e:F-Mn-Zn +mp-1394801,MnZnF5,-5.5191621793,-2.6649973593,0.031495025,0.031495025,GGA+U,C2/c,A5BC_mC28_15_e2f_a_e:F-Mn-Zn,14.0,"Invalid WP multiplicities - A5BC_mC28_15_e3f_a_e:F-Mn-Zn, expected MnZnF7 to be MnZnF5" +mp-555271,Ba2Zn2ClF7,-5.0562781333,-3.257417589,0.0030475698,0.0030475698,GGA,P2_1/m,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Zn,24.0,"Invalid WP multiplicities - A2BC7D2_mP24_11_3e_e_2e9f_4e:Ba-Cl-F-Zn, expected Ba3Zn4ClF20 to be Ba2Zn2ClF7" +mp-1214624,Ba2Mn2ClF7,-6.5305323633,-3.4146265386,0.0112230392,0.0112230392,GGA+U,P2_1/m,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Mn,24.0,A2BC7D2_mP24_11_2e_e_e3f_2e:Ba-Cl-F-Mn +mp-1228107,Ba6Mn2Zn(ClF2)6,-5.7727419581,-3.3606459802,0.0,-0.0014748893,GGA+U,P-3,A6B6C12D2E_hP27_147_g_g_2g_d_a:Ba-Cl-F-Mn-Zn,27.0,"Invalid WP multiplicities - A6B6C12D2E_hP27_147_g_g_4g_d_a:Ba-Cl-F-Mn-Zn, expected Ba6Mn2Zn(ClF4)6 to be Ba6Mn2Zn(ClF2)6" +mp-1386276,MnZnF6,-5.2859987938,-2.5496697054,0.0,-0.0745245559,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Mn-Zn,8.0,A6BC_hR24_148_f_a_b:F-Mn-Zn +mp-1205972,MnZn3F6,-4.332801842,-1.8917898493,0.5605098470000001,0.5605098470000001,GGA+U,P-1,A6BC3_aP10_2_3i_a_bce:F-Mn-Zn,10.0,A6BC3_aP10_2_3i_a_bce:F-Mn-Zn +mp-1237325,MnZn3F6,-4.584831889,-2.1438198963,0.3084797999999999,0.3084797999999999,GGA+U,P-1,A6BC3_aP10_2_3i_b_ach:F-Mn-Zn,10.0,A6BC3_aP10_2_3i_b_ach:F-Mn-Zn +mp-1522632,BaSrPrHfO6,-8.172566027,-3.3698964824,0.0977956662,0.0977956662,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_be_i:Ba-Hf-O-Pr-Sr,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_be_i:Ba-Hf-O-Pr-Sr, expected BaSrPrHfO12 to be BaSrPrHfO6" +mp-1522493,BaSrPrHfO6,-8.1632382827,-3.3605687382,0.1071234104,0.1071234104,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Hf-O-Pr-Sr,40.0,ABC6DE_oP40_16_abcf_u_6u_u_degh:Ba-Hf-O-Pr-Sr +mp-1522560,BaSrPrHfO6,-8.101211579,-3.2985420344,0.1691501142,0.1691501142,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:Ba-Hf-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:Ba-Hf-O-Pr-Sr +mp-1521068,Ba2PrHfO6,-8.1835435773,-3.357925884,0.0879512782,0.0879512782,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Hf-O-Pr,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Hf-O-Pr +mp-1520994,Ba2PrHfO6,-8.168438,-3.3428203068,0.1030568554,0.1030568554,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-Pr,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Hf-O-Pr +mp-682548,Cs5Te3H4NCl18,-3.7150705897,-1.4864257985,0.0,-0.000847969,GGA,P3m1,A18B5C4DE3_hP31_156_6d_a2b2c_ad_a_abc:Cl-Cs-H-N-Te,31.0,"Invalid WP multiplicities - A18B5C4DE3_hP31_156_17d_a2b2c_a2d_a_abc:Cl-Cs-H-N-Te, expected Cs5Te3H7NCl51 to be Cs5Te3H4NCl18" +mp-1211498,KLi3SiO4,-6.1769947122,-2.6159679987,0.0,-0.0194869397,GGA,P-1,AB3C4D_aP36_2_2i_6i_8i_2i:K-Li-O-Si,36.0,AB3C4D_aP36_2_2i_6i_8i_2i:K-Li-O-Si +mp-1195099,K2Si3SnO10,-7.0658592105,-2.567533526,0.1381885812,0.1381885812,GGA,P2_12_12_1,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Sn,64.0,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Sn +mp-1178142,KLiSnO2,-5.197113328,-1.8126591098,0.030246993,0.030246993,GGA,C2/m,ABC2D_mC20_12_i_i_2i_i:K-Li-O-Sn,10.0,"Invalid WP multiplicities - ABC2D_mC20_12_i_i_3i_i:K-Li-O-Sn, expected KLiSnO3 to be KLiSnO2" +mp-680450,K2LiSn4,-3.1742583169,-0.2931142911,0.0,-0.0172982932,GGA,C2/c,A2BC4_mC224_15_4e6f_4f_16f:K-Li-Sn,112.0,"Invalid WP multiplicities - A2BC4_mC224_15_7e20f_14f_61f:K-Li-Sn, expected K47(Li14Sn61)2 to be K2LiSn4" +mp-558102,KLiSi2O5,-7.2683168033,-2.9790499778,0.0,-0.0131044231,GGA,P2_1,ABC5D2_mP18_4_a_a_5a_2a:K-Li-O-Si,18.0,"Invalid WP multiplicities - ABC5D2_mP18_4_a_a_9a_3a:K-Li-O-Si, expected KLi(SiO3)3 to be KLiSi2O5" +mp-556797,K2Si3SnO9,-7.354538397,-2.886103581,0.0,-0.0587153017,GGA,R3,A2B9C3D_hR90_146_ab_6b_2b_2a:K-O-Si-Sn,30.0,"Invalid WP multiplicities - A2B9C3D_hR90_146_a2b_16b_4b_2a:K-O-Si-Sn, expected K7Si12(SnO24)2 to be K2Si3SnO9" +mp-18243,K2Si3SnO9,-7.3398486363,-2.8714138203,0.0146897607,-0.044025541,GGA,P6_3/m,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Sn,30.0,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Sn +mp-3949,K7LiSi8,-3.3855368966,-0.0677706631,0.0,-0.0148760409,GGA,Pa-3,A7BC8_cP64_205_ad_b_cd:K-Li-Si,64.0,"Invalid WP multiplicities - A7BC8_cP64_205_a2d_b_c2d:K-Li-Si, expected K13LiSi14 to be K7LiSi8" +mp-28316,K3LiSi4,-3.4438334775,-0.076159499,0.00683226,0.00683226,GGA,Pnma,A3BC4_oP32_62_cd_a_2cd:K-Li-Si,32.0,"Invalid WP multiplicities - A3BC4_oP32_62_cd_a_2c2d:K-Li-Si, expected K3LiSi6 to be K3LiSi4" +mp-6844,KLi3Si12(SnO15)2,-7.794421681,-3.0369052445,0.0,-0.0079814238,GGA,P6/mcc,AB3C30D12E2_hP96_192_a_f_l2m_m_c:K-Li-O-Si-Sn,96.0,"Invalid WP multiplicities - AB3C30D12E2_hP96_192_a_f_l6m_m_c:K-Li-O-Si-Sn, expected KLi3Si12(SnO39)2 to be KLi3Si12(SnO15)2" +mp-561474,K3LiSiO4,-5.8221231775,-2.4385462239,0.0,-0.0177361684,GGA,P2_1/c,A3BC4D_mP72_14_6e_2e_8e_2e:K-Li-O-Si,72.0,"Invalid WP multiplicities - A3BC4D_mP72_14_18e_4e_28e_7e:K-Li-O-Si, expected K18Li4(SiO4)7 to be K3LiSiO4" +mp-866468,CrH9(BrN)3,-5.1218736041,-0.7558641266,0.0,-0.012229168,GGA,P-1,A3BC9D3_aP32_2_3i_be_9i_3i:Br-Cr-H-N,32.0,A3BC9D3_aP32_2_3i_be_9i_3i:Br-Cr-H-N +mp-1212998,CuH2(Br2N)2,-2.6576289733,1.0945667967,1.5864121178,1.5864121178,GGA,I4/mmm,A4BC2D2_tI18_139_h_a_e_d:Br-Cu-H-N,9.0,A4BC2D2_tI18_139_h_a_e_d:Br-Cu-H-N +mp-24429,CrCuH18Br5N6,-4.948797709,-0.671203059,0.0158159886,0.0158159886,GGA,Fd-3c,A5BCD18E6_cF992_228_eg_c_b_3h_h:Br-Cr-Cu-H-N,248.0,A5BCD18E6_cF992_228_eg_c_b_3h_h:Br-Cr-Cu-H-N +mp-866097,CuH6BrN2,-4.8043855735,-0.5362274615,0.0022881013,0.0022881013,GGA,C2/c,ABC6D2_mC40_15_e_a_3f_f:Br-Cu-H-N,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_c_5f_f:Br-Cu-H-N, expected CuH10BrN2 to be CuH6BrN2" +mp-1211681,KSm(SeO4)2,-6.378126996,-2.0119338521,0.0,-0.1290043104,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:K-O-Se-Sm,48.0,AB8C2D_mP48_14_e_8e_2e_e:K-O-Se-Sm +mp-1516725,KSrSmSeO6,-6.482936927,-2.413484699,0.1388703247,0.1388703247,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:K-O-Se-Sm-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:K-O-Se-Sm-Sr +mp-1195227,NaY(Te2O5)2,-6.3826080706,-2.0182888773,0.0,-0.0169498491,GGA,P4_2/nbc,AB10C4D_tP64_133_c_j2k_k_a:Na-O-Te-Y,64.0,AB10C4D_tP64_133_c_j2k_k_a:Na-O-Te-Y +mp-1197762,Na2Y3Te4(ClO4)3,-6.6004477056,-2.4536326217,0.0,-0.0360247183,GGA,C2/c,A3B2C12D4E3_mC96_15_cf_f_6f_2f_ef:Cl-Na-O-Te-Y,48.0,A3B2C12D4E3_mC96_15_cf_f_6f_2f_ef:Cl-Na-O-Te-Y +mp-1189517,Fe2NiC,-7.9055291706,0.0816819775,0.115293655,0.115293655,GGA,Pnma,AB2C_oP16_62_c_d_c:C-Fe-Ni,16.0,AB2C_oP16_62_c_d_c:C-Fe-Ni +mp-1245581,CsNiN,-5.0092660183,-0.0052546926,0.1805791688,0.1805791688,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-N-Ni,12.0,ABC_oP12_62_c_c_c:Cs-N-Ni +mp-1246943,CsNiN,-4.99167009,0.0123412357,0.1981750971,0.1981750971,GGA,P-6m2,ABC_hP3_187_c_a_b:Cs-N-Ni,3.0,ABC_hP3_187_c_a_b:Cs-N-Ni +mp-571284,Cs2FeNi(CN)6,-7.8007314763,-0.2112361551,0.0209565277,0.0209565277,GGA,Fm-3m,A6B2CD6E_cF64_225_e_c_a_e_b:C-Cs-Fe-N-Ni,16.0,A6B2CD6E_cF64_225_e_c_a_e_b:C-Cs-Fe-N-Ni +mp-1246499,CsFeN,-6.0002495108,-0.0996100085,0.1101478832,0.1101478832,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-Fe-N,12.0,ABC_oP12_62_c_c_c:Cs-Fe-N +mp-21498,FeNi2(CN)6,-7.83172812,0.5296890183,0.5822349111,0.5822349111,GGA,F-43m,A6BC6D2_cF60_216_f_a_f_bc:C-Fe-N-Ni,15.0,A6BC6D2_cF60_216_f_a_f_bc:C-Fe-N-Ni +mp-558745,Rb4NpS2ClO10,-6.7208304086,-2.4731504376,0.0,-0.0250960267,GGA,P2/c,ABC10D4E2_mP36_13_e_f_5g_2g_g:Cl-Np-O-Rb-S,36.0,"Invalid WP multiplicities - ABC10D4E2_mP36_13_e_f_16g_6g_g:Cl-Np-O-Rb-S, expected Rb12NpS2ClO32 to be Rb4NpS2ClO10" +mp-1213178,Cu2AgH(SeO5)2,-5.3481110506,-0.9179607096,0.0252348786,0.0252348786,GGA,C2/m,AB2CD10E2_mC32_12_c_e_a_3ij_i:Ag-Cu-H-O-Se,16.0,AB2CD10E2_mC32_12_a_e_c_3ij_i:Ag-Cu-H-O-Se +mp-734045,Cu2H2Se2O7,-5.4822996863,-1.1282605045,0.0136895821,0.0136895821,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Cu-H-O-Se,52.0,A2B2C7D2_mP52_14_2e_2e_7e_2e:Cu-H-O-Se +mp-24164,CuH2(SeO3)2,-5.4952608955,-1.1719323516,0.0027961784,0.0027961784,GGA,P2_1/c,AB2C6D2_mP22_14_a_e_3e_e:Cu-H-O-Se,22.0,"Invalid WP multiplicities - AB2C6D2_mP22_14_a_e_5e_e:Cu-H-O-Se, expected CuH2(SeO5)2 to be CuH2(SeO3)2" +mp-1181685,Cu3H4SeO8,-5.2310659209,-0.9224443361,0.1827015805,0.1827015805,GGA,P1,A3B4C8D_aP64_1_12a_16a_32a_4a:Cu-H-O-Se,64.0,A3B4C8D_aP64_1_12a_16a_32a_4a:Cu-H-O-Se +mp-720263,CuH4SeO5,-5.3613881055,-1.1887093887,0.0105559435,0.0105559435,GGA,P2_12_12_1,AB4C5D_oP44_19_a_4a_5a_a:Cu-H-O-Se,44.0,AB4C5D_oP44_19_a_4a_5a_a:Cu-H-O-Se +mp-23955,CuH2SeO5,-5.4640513378,-1.1180498051,0.0,-0.0168962039,GGA,P-1,AB2C5D_aP18_2_be_2i_5i_i:Cu-H-O-Se,18.0,AB2C5D_aP18_2_be_2i_5i_i:Cu-H-O-Se +mp-733650,CuH6(SeO4)2,-5.3723727526000005,-1.1946730123,0.0179351025,0.0179351025,GGA,P2_1/c,AB6C8D2_mP34_14_a_3e_4e_e:Cu-H-O-Se,34.0,AB6C8D2_mP34_14_a_3e_4e_e:Cu-H-O-Se +mp-863429,CuH10SeO9,-5.2951682876,-1.1979027162,0.0138637833,0.0138637833,GGA,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-Se,42.0,"Invalid WP multiplicities - AB10C9D_aP42_2_bc_19i_17i_i:Cu-H-O-Se, expected CuH19SeO17 to be CuH10SeO9" +mp-1210314,Rb2Be3Co2F12,-5.6381066142,-2.9889650384,0.0951760229,0.0951760229,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-Rb,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-Rb +mp-1209794,Rb2Be2Co(O3F4)2,-4.9037221416,-1.6658181586,0.4860663775,0.4860663775,GGA+U,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Rb,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Rb +mp-1521496,KZrMnBiO6,-7.49789275,-2.2638191233,0.1576988137,0.1576988137,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Mn-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Mn-O-Zr +mp-1205996,Zr6MnBi2,-7.8618311711,-0.2919203564,0.0,-0.0383133304,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Mn-Zr,9.0,A2BC6_hP9_189_c_b_fg:Bi-Mn-Zr +mp-1517441,KLaNiSbO6,-6.656918525,-2.0933509011,0.1703276203,0.1703276203,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-Sb,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-Sb +mp-1223391,KNiSbO4,-6.1880806471,-1.7871818311,0.0282276571,0.0282276571,GGA+U,Cm,ABC4D_mC14_8_a_a_4a_a:K-Ni-O-Sb,7.0,ABC4D_mC14_8_a_a_4a_a:K-Ni-O-Sb +mp-1516898,NaPrEuWO6,-8.652296383,-2.7524268484,0.1062182339,0.1062182339,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Pr-W +mp-1519265,NaEu(WO3)2,-8.92151334,-2.2039213579,0.1583041563,0.1583041563,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Eu-Na-O-W,10.0,ABC6D2_cF40_225_a_b_d_c:Eu-Na-O-W +mp-1045770,YFe4(CuO4)3,-7.2667037795,-1.6664817546,0.017490915,0.017490915,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Y,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Fe-O-Y +mp-1215980,YFeCu,-6.3827306083,-0.0374976106,0.1351596123,0.1351596123,GGA,Imma,ABC_oI12_74_a_c_e:Cu-Fe-Y,6.0,ABC_oI12_74_a_c_e:Cu-Fe-Y +mp-18605,RbLa(WO4)2,-8.6245064858,-2.6739805419,0.0,-0.0259035195,GGA+U,C2/m,AB8CD2_mC48_12_g_2i3j_i_hi:La-O-Rb-W,24.0,AB8CD2_mC48_12_g_2i3j_i_hi:La-O-Rb-W +mp-1105199,RbLaMnWO6,-8.4293549745,-2.6576730778,0.0226621527,0.0226621527,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:La-Mn-O-Rb-W,20.0,ABC6DE_mP20_4_a_a_6a_a_a:La-Mn-O-Rb-W +mp-2218350,RbMgIn(WO4)2,-7.3155696054,-1.867702836,0.426834716,0.426834716,GGA+U,P3m1,ABC8DE2_hP13_156_b_a_ac2d_b_ac:In-Mg-O-Rb-W,13.0,"Invalid WP multiplicities - ABC8DE2_hP13_156_b_a_ac3d_b_ac:In-Mg-O-Rb-W, expected RbMgInW2O11 to be RbMgIn(WO4)2" +mp-2218601,RbMgIn(WO4)2,-7.5983411223,-2.1504743529,0.144063199,0.144063199,GGA+U,P3m1,ABC8DE2_hP13_156_a_a_bc2d_a_bc:In-Mg-O-Rb-W,13.0,"Invalid WP multiplicities - ABC8DE2_hP13_156_a_a_bc3d_a_bc:In-Mg-O-Rb-W, expected RbMgInW2O11 to be RbMgIn(WO4)2" +mp-504667,RbIn(WO4)2,-7.9156291408,-2.1471301448,0.0434845182,0.0434845182,GGA+U,P-3m1,AB8CD2_hP12_164_a_di_b_d:In-O-Rb-W,12.0,"Invalid WP multiplicities - AB8CD2_hP12_164_a_d2i_b_d:In-O-Rb-W, expected RbIn(WO7)2 to be RbIn(WO4)2" +mp-1039670,RbMg30WO32,-6.3187932769,-2.8775260181,0.1086541367,0.1086541367,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Rb-W,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Rb-W, expected RbMg110WO72 to be RbMg30WO32" +mp-1039694,RbMg30WO32,-6.3149828922,-2.8737156334,0.1124645214,0.1124645214,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Rb-W,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Rb-W, expected RbMg90WO80 to be RbMg30WO32" +mp-1017182,RbMg6W,-2.4484512612,0.4940918141,0.5032710759,0.5032710759,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Rb-W,8.0,A6BC_tP8_123_ej_b_d:Mg-Rb-W +mp-1017202,RbMg6W,-2.408424135,0.5341189403000001,0.5432982022,0.5432982022,GGA,P-6m2,A6BC_hP8_187_jk_a_d:Mg-Rb-W,8.0,A6BC_hP8_187_jk_a_d:Mg-Rb-W +mp-1034256,RbMg14WO16,-6.2672679747,-2.6582178377,0.2601021724,0.2601021724,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Rb-W,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Rb-W, expected RbMg18WO20 to be RbMg14WO16" +mp-1034167,RbMg14WO16,-6.2737787944,-2.6647286574,0.2535913527,0.2535913527,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Rb-W,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Rb-W, expected RbMg30WO32 to be RbMg14WO16" +mp-1033623,RbMg6WO8,-6.2196736981,-2.2750578048,0.5075419161,0.5075419161,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Rb-W,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Rb-W, expected RbMg6WO12 to be RbMg6WO8" +mp-1033637,RbMg6WO8,-6.170342425,-2.2257265317,0.5568731892000001,0.5568731892000001,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Rb-W,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Rb-W, expected RbMg6WO12 to be RbMg6WO8" +mp-1026651,RbMg14W,-1.9438350125,0.3275765502,0.338285689,0.338285689,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-W, expected RbMg18W to be RbMg14W" +mp-1026628,RbMg14W,-1.9710918112,0.3003197514,0.3110288903,0.3110288903,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-W, expected RbMg26W to be RbMg14W" +mp-1195026,Rb2Mg2(WO4)3,-7.8632072605,-2.4212976042,0.0296732926,0.0296732926,GGA+U,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Mg-O-Rb-W,76.0,A2B12C2D3_cP76_198_2a_4b_2a_b:Mg-O-Rb-W +mp-2230059,MgIn6WO12,-6.537897206,-2.0164583462,0.097355307,0.097355307,GGA+U,R3,A6BC12D_hR60_146_2b_a_4b_a:In-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_146_2b_a_5b_a:In-Mg-O-W, expected MgIn6WO15 to be MgIn6WO12" +mp-2230025,MgIn6WO12,-6.5606538985,-2.0392150388,0.0745986145,0.0745986145,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:In-Mg-O-W,20.0,A6BC12D_hR60_148_f_a_2f_b:In-Mg-O-W +mp-2232450,Rb4Mg(WO4)2,-6.6832129967,-1.9490672307,0.3097699433,0.3097699433,GGA+U,Cm,AB8C4D2_mC30_8_a_4a2b_4a_2a:Mg-O-Rb-W,15.0,"Invalid WP multiplicities - AB8C4D2_mC30_8_a_4a3b_4a_2a:Mg-O-Rb-W, expected Rb4Mg(WO5)2 to be Rb4Mg(WO4)2" +mp-1217486,TbMnFe,-7.374941715,0.0471924857,0.0758939565,0.0758939565,GGA,Imma,ABC_oI12_74_a_c_e:Fe-Mn-Tb,6.0,ABC_oI12_74_a_c_e:Fe-Mn-Tb +mp-1522788,KTb(FeO3)4,-6.8993642706,-1.4001912471,0.2666699657,0.2666699657,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Fe-K-O-Tb,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Fe-K-O-Tb, expected KTb(Fe2O9)2 to be KTb(FeO3)4" +mp-863018,SiH9C3Cl,-5.0564632779,-0.3782928798,0.0034900603,0.0034900603,GGA,P2_1/m,A3BC9D_mP28_11_ef_e_e4f_e:C-Cl-H-Si,28.0,"Invalid WP multiplicities - A3BC9D_mP28_11_e2f_e_e8f_e:C-Cl-H-Si, expected SiH17C5Cl to be SiH9C3Cl" +mp-1078233,H3CCl,-4.625037816,-0.3739617585,0.0795137552,0.0795137552,GGA,Cmc2_1,ABC3_oC20_36_a_a_ab:C-Cl-H,10.0,ABC3_oC20_36_a_a_ab:C-Cl-H +mp-1199230,InSi4H38C14Cl,-5.1270633924,-0.2231599594,0.0519169639,0.0519169639,GGA,P-1,A14BC38DE4_aP116_2_14i_i_38i_i_4i:C-Cl-H-In-Si,116.0,A14BC38DE4_aP116_2_14i_i_38i_i_4i:C-Cl-H-In-Si +mp-1188581,Si5(H2Cl)4,-4.0789532612,-0.4517447229,0.1375207996,0.1375207996,GGA,I-4,A4B8C5_tI34_82_g_2g_ag:Cl-H-Si,17.0,A4B8C5_tI34_82_g_2g_ag:Cl-H-Si +mp-1517370,BaNaTbWO6,-7.971744724000001,-2.9203318409000003,0.0057147493,0.0057147493,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Tb-W +mp-1214561,Ba2TbWO6,-8.252879218,-3.1418213702,0.0,-0.0311111494,GGA+U,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Tb-W,10.0,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Tb-W +mp-1516606,Ba2TbWO6,-8.245653739,-3.1345958913,0.007225479,-0.0238856704,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Tb-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Tb-W +mp-1516516,Ba2TbWO6,-8.183895555,-3.0728377073,0.068983663,0.0378725136,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Tb-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Tb-W +mp-1228418,Ba3Tb2WO9,-8.0945387173,-3.2609396739,0.0,-0.019807522,GGA+U,P-1,A3B9C2D_aP30_2_3i_9i_aci_i:Ba-O-Tb-W,30.0,"Invalid WP multiplicities - A3B9C2D_aP30_2_6i_18i_aci_i:Ba-O-Tb-W, expected Ba6Tb2WO18 to be Ba3Tb2WO9" +mp-1516942,NaCeMnWO6,-8.379381997,-2.4737927732,0.1939762193,0.1939762193,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ce-Mn-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ce-Mn-Na-O-W +mp-1518996,KLa(SnO3)2,-6.801732661,-2.427164458,0.1540206375,0.1540206375,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:K-La-O-Sn,10.0,ABC6D2_cF40_225_a_b_d_c:K-La-O-Sn +mp-1520157,KLaTiSnO6,-7.681237395,-2.9180771759,0.1202377455,0.1202377455,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sn-Ti +mp-1518902,KLa(SnO3)4,-6.3953392067,-1.8706193174,0.2753499316,0.2753499316,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-La-O-Sn,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-La-O-Sn, expected KLa(Sn2O9)2 to be KLa(SnO3)4" +mp-1190981,Sr2ZnS3,-4.7520917942,-1.910745108,0.0403427235,0.0403427235,GGA,Pnma,A3B2C_oP24_62_3c_2c_c:S-Sr-Zn,24.0,A3B2C_oP24_62_3c_2c_c:S-Sr-Zn +mp-9453,Sr2ZnCu2(SO)2,-5.1532507578,-1.7084262008,0.0684622763,0.0684622763,GGA,I4/mmm,A2B2C2D2E_tI18_139_d_c_e_e_a:Cu-O-S-Sr-Zn,9.0,A2B2C2D2E_tI18_139_d_c_e_e_a:Cu-O-S-Sr-Zn +mp-40502,CsTiCoOF5,-6.4980345478,-3.1198905775,0.0,-0.0109531773,GGA+U,Imma,ABC5DE_oI36_74_a_e_ej_e_c:Co-Cs-F-O-Ti,36.0,ABC5DE_oI36_74_a_e_ej_e_c:Co-Cs-F-O-Ti +mp-1517713,SrTbEuVO6,-8.65676406,-3.1222740909,0.1685458094,0.1685458094,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Tb-V,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Tb-V +mp-1521423,Sr2TbVO6,-7.822675814,-3.1449366796,0.1214195404,0.1214195404,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-V,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-V +mp-17314,LiMo3P3O16,-7.9963139752,-2.3514096232,0.0087681159,0.0087681159,GGA+U,P-1,AB3C16D3_aP46_2_i_3i_16i_3i:Li-Mo-O-P,46.0,AB3C16D3_aP46_2_i_3i_16i_3i:Li-Mo-O-P +mp-559452,Na5Li(PO4)2,-6.2484871119,-2.5658831095,0.0005009952,0.0005009952,GGA,Pnma,AB5C8D2_oP128_62_d_2c4d_4c6d_2cd:Li-Na-O-P,128.0,"Invalid WP multiplicities - AB5C8D2_oP128_62_d_8c26d_14c41d_5c3d:Li-Na-O-P, expected Na60Li2P11O96 to be Na5Li(PO4)2" +mp-729641,Li5Mo2P5O18,-4.7947938997,0.1166335633,2.7460233848,2.7460233848,GGA+U,P-1,A5B2C18D5_aP60_2_5i_2i_18i_5i:Li-Mo-O-P,60.0,"Invalid WP multiplicities - A5B2C18D5_aP60_2_9i_4i_36i_9i:Li-Mo-O-P, expected Li9Mo4(PO4)9 to be Li5Mo2P5O18" +mp-705007,LiMo(PO3)4,-7.7516818322,-2.5423458579,0.0416048526,0.0416048526,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Mo-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_13e:Li-Mo-O-P, expected LiMoP13O46 to be LiMo(PO3)4" +mp-26521,LiMo(PO3)4,-7.7636517578,-2.5543157834,0.0296349271,0.0296349271,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Mo-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_20f_5f:Li-Mo-O-P, expected LiMo(PO4)10 to be LiMo(PO3)4" +mp-26131,LiMo(PO3)4,-7.7795624481,-2.5702264737,0.0137242368,0.0137242368,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Li-Mo-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_23f_6f:Li-Mo-O-P, expected LiMo(P6O23)2 to be LiMo(PO3)4" +mp-25987,LiMo(PO3)4,-7.7886264271,-2.5792904527,0.0046602578,0.0046602578,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Li-Mo-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_24d_7d:Li-Mo-O-P, expected LiMo(P7O24)2 to be LiMo(PO3)4" +mp-558045,NaLi2PO4,-6.4797402741,-2.6871867268000003,0.0,-0.0083532589,GGA,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Li-Na-O-P,32.0,"Invalid WP multiplicities - A2BC4D_oP32_62_d_c_5c3d_c:Li-Na-O-P, expected NaLi2PO11 to be NaLi2PO4" +mp-695791,LiMo(PO3)5,-7.6929346611,-2.5101430166,0.0371851099,0.0371851099,GGA+U,P2_1/c,ABC15D5_mP88_14_e_e_15e_5e:Li-Mo-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_e_e_57e_19e:Li-Mo-O-P, expected LiMo(PO3)19 to be LiMo(PO3)5" +mp-25827,LiMo2P3O11,-8.0189864556,-2.4746507832,0.0284211345,0.0284211345,GGA+U,C2,AB2C11D3_mC68_5_c_2c_ab10c_ab2c:Li-Mo-O-P,34.0,"Invalid WP multiplicities - AB2C11D3_mC68_5_c_4c_ab20c_ab4c:Li-Mo-O-P, expected LiMo4P5O21 to be LiMo2P3O11" +mp-557652,Li3Mo3P3O17,-7.7486313251,-2.417964612,0.0,-0.0050917137,GGA+U,P-1,A3B3C17D3_aP104_2_6i_6i_34i_6i:Li-Mo-O-P,104.0,"Invalid WP multiplicities - A3B3C17D3_aP104_2_10i_11i_67i_10i:Li-Mo-O-P, expected Li10Mo11P10O67 to be Li3Mo3P3O17" +mp-26051,LiMo8(P2O11)4,-8.0154393959,-2.2837205911,0.0071442231,0.0071442231,GGA+U,P-1,AB8C44D8_aP61_2_a_4i_22i_4i:Li-Mo-O-P,61.0,"Invalid WP multiplicities - AB8C44D8_aP61_2_a_6i_43i_8i:Li-Mo-O-P, expected LiMo12(P8O43)2 to be LiMo8(P2O11)4" +mp-504194,LiMoPO5,-7.8349789781,-2.4723140982,0.0063346466,0.0063346466,GGA+U,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Li-Mo-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_3i_4i_19i_3i:Li-Mo-O-P, expected Li3Mo4P3O19 to be LiMoPO5" +mp-27115,LiMoPO5,-7.7849426038,-2.4222777238,0.0563710209,0.0563710209,GGA+U,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Li-Mo-O-P,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_5a_5a_37a_5a:Li-Mo-O-P, expected Li5Mo5P5O37 to be LiMoPO5" +mp-26371,LiMoPO5,-7.8019922369,-2.4393273569,0.0393213878,0.0393213878,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Li-Mo-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_11c5d_c:Li-Mo-O-P, expected LiMoPO21 to be LiMoPO5" +mp-704197,Li2Mo(PO4)2,-7.542997564,-2.5381044451,0.0458316906,0.0458316906,GGA+U,P2_1,A2BC8D2_mP52_4_4a_2a_16a_4a:Li-Mo-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_4_6a_4a_27a_7a:Li-Mo-O-P, expected Li6Mo4P7O27 to be Li2Mo(PO4)2" +mp-540296,Li2Mo(PO4)2,-7.5522771262,-2.5473840072,0.0365521285,0.0365521285,GGA+U,P2_1,A2BC8D2_mP26_4_2a_a_8a_2a:Li-Mo-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_4_4a_a_15a_2a:Li-Mo-O-P, expected Li4MoP2O15 to be Li2Mo(PO4)2" +mp-1101539,Li2Mo(PO4)2,-7.5562648192,-2.5513717003,0.0325644354,0.0325644354,GGA+U,P2_1,A2BC8D2_mP52_4_4a_2a_16a_4a:Li-Mo-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_4_8a_2a_31a_7a:Li-Mo-O-P, expected Li8Mo2P7O31 to be Li2Mo(PO4)2" +mp-26348,Li2Mo(PO4)2,-7.53193254,-2.527039421,0.0568967146,0.0568967146,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Li-Mo-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_8_2a_a_4a4b_2a:Li-Mo-O-P, expected Li2Mo(PO6)2 to be Li2Mo(PO4)2" +mp-26863,Li2Mo(PO4)2,-7.5453158896,-2.5404227706,0.043513365,0.043513365,GGA+U,Cc,A2BC8D2_mC52_9_2a_a_8a_2a:Li-Mo-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_9_2a_a_16a_2a:Li-Mo-O-P, expected Li2Mo(PO8)2 to be Li2Mo(PO4)2" +mp-583981,Li2Mo(PO4)2,-7.5615137792,-2.5566206603,0.0273154754,0.0273154754,GGA+U,P-3,A2BC8D2_hP13_147_d_a_dg_d:Li-Mo-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_hP13_147_d_a_2d3g_d:Li-Mo-O-P, expected Li2Mo(PO11)2 to be Li2Mo(PO4)2" +mp-26561,Li3Mo3(PO4)4,-7.8471146295,-2.4985012319,0.0277492438,0.0277492438,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mo-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mo-O-P +mp-26637,Li3Mo3(PO4)4,-7.8449834704,-2.4963700728,0.0298804029,0.0298804029,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Li-Mo-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_29a_6a:Li-Mo-O-P, expected Li5Mo5P6O29 to be Li3Mo3(PO4)4" +mp-26351,Li3Mo3(PO4)4,-7.8565916083,-2.5079782107,0.018272265,0.018272265,GGA+U,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Li-Mo-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_14_2a3e_2d2e_29e_3e:Li-Mo-O-P, expected Li4Mo3P3O29 to be Li3Mo3(PO4)4" +mp-1020164,Na3LiP2O7,-6.5935344208,-2.6450786716,0.0,-6.713200000000001e-05,GGA,C222_1,AB3C7D2_oC52_20_a_bc_a3c_c:Li-Na-O-P,26.0,AB3C7D2_oC52_20_a_bc_a3c_c:Li-Na-O-P +mp-27067,Li7Mo4P9O32,-7.6391534654,-2.5668684303,0.0433300243,0.0433300243,GGA+U,P-42_1c,A7B4C32D9_tP104_114_ade_e_8e_b2e:Li-Mo-O-P,104.0,"Invalid WP multiplicities - A7B4C32D9_tP104_114_2a2d2e_e_58e_2b15e:Li-Mo-O-P, expected Li7Mo2P31O116 to be Li7Mo4P9O32" +mp-26013,LiMo2(PO4)3,-8.0177644203,-2.5066313569,0.0016614139,-0.0108495233,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Li-Mo-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_2i_23i_5i:Li-Mo-O-P, expected LiMo2P5O23 to be LiMo2(PO4)3" +mp-27005,LiMo2(PO4)3,-8.0150693225,-2.5039362591,0.0043565117,-0.0081544256,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Li-Mo-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_3i_23i_5i:Li-Mo-O-P, expected LiMo3P5O23 to be LiMo2(PO4)3" +mp-585265,LiMo2(PO4)3,-8.0194258342,-2.5082927707,0.0,-0.0125109372,GGA+U,C2,AB2C12D3_mC72_5_c_2c_12c_ab2c:Li-Mo-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_5_c_2c_24c_ab4c:Li-Mo-O-P, expected LiMo2P5O24 to be LiMo2(PO4)3" +mp-540268,LiMo2(PO4)3,-8.0171411775,-2.5060081141,0.0022846567,-0.0102262806,GGA+U,Cc,AB2C12D3_mC72_9_a_2a_12a_3a:Li-Mo-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_9_a_4a_24a_6a:Li-Mo-O-P, expected LiMo4(PO4)6 to be LiMo2(PO4)3" +mp-32081,LiMo2(PO4)3,-7.9411838789,-2.4300508155,0.0782419553,0.0657310181,GGA+U,C2/m,AB2C12D3_mC72_12_i_aci_6i3j_3i:Li-Mo-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_12_i_ad2i_12i10j_6i:Li-Mo-O-P, expected LiMo3(P3O16)2 to be LiMo2(PO4)3" +mp-26086,LiMo2(PO4)3,-8.0140038476,-2.5028707842,0.0054219865,-0.0070889507,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Mo-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_7e_47e_9e:Li-Mo-O-P, expected LiMo7P9O47 to be LiMo2(PO4)3" +mp-25843,LiMo2(PO4)3,-7.9676630194,-2.456529956,0.0517628147,0.0392518775,GGA+U,Pbcm,AB2C12D3_oP72_57_d_e_2d5e_ce:Li-Mo-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_oP72_57_d_e_8d38e_4c3e:Li-Mo-O-P, expected LiMo2(P5O42)2 to be LiMo2(PO4)3" +mp-1210927,Na3Li(MoO4)2,-6.9042770496,-2.1084692884,0.0769174161,0.0769174161,GGA+U,Cc,AB2C3D8_mC56_9_a_2a_3a_8a:Li-Mo-Na-O,28.0,AB2C3D8_mC56_9_a_2a_3a_8a:Li-Mo-Na-O +mp-26443,LiMoP2O7,-7.8540590505,-2.5624227806,0.0216056282,-0.0070173073,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Mo-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_14i_4i:Li-Mo-O-P, expected LiMo(P2O7)2 to be LiMoP2O7" +mp-18987,LiMoP2O7,-7.8756646786,-2.5840284087,0.0,-0.0286229355,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Li-Mo-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_11a_2a:Li-Mo-O-P, expected LiMoP2O11 to be LiMoP2O7" +mp-26293,LiMoP2O7,-7.8475606636,-2.5559243937,0.028104015,-0.0005189205,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Li-Mo-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Li-Mo-O-P, expected LiMoP2O11 to be LiMoP2O7" +mp-697767,LiMoP2O7,-7.8402708755,-2.5486346056,0.0353938032,0.0067708677,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_22e_7e:Li-Mo-O-P, expected LiMoP7O22 to be LiMoP2O7" +mp-26323,LiMoP2O7,-7.8507850909,-2.559148821,0.0248795877,-0.0037433478,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_8e:Li-Mo-O-P, expected LiMoP8O27 to be LiMoP2O7" +mp-26837,LiMoP2O7,-7.834162585,-2.5425263151,0.0415020936,0.0128791581,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Li-Mo-O-P, expected LiMoP4O25 to be LiMoP2O7" +mp-26627,LiMoP2O7,-7.838858903,-2.5472226331,0.0368057757,0.0081828402,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Li-Mo-O-P, expected LiMoP4O25 to be LiMoP2O7" +mp-1101506,LiMoP2O7,-7.8638702105,-2.5722339406,0.0117944682,-0.0168284673,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Li-Mo-O-P, expected LiMoP4O25 to be LiMoP2O7" +mp-26239,LiMoP2O7,-7.8591778373,-2.5675415674,0.0164868414,-0.0121360941,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Li-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_5f:Li-Mo-O-P, expected LiMoP5O23 to be LiMoP2O7" +mp-1013898,LiMo3P3O13,-8.161591656,-2.4119549579,0.0190166798,0.0190166798,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Li-Mo-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Li-Mo-O-P, expected LiMo5P3O34 to be LiMo3P3O13" +mp-1223051,Li2Mo2P2O11,-7.4662249794,-2.1280292859,0.3042139456,0.3042139456,GGA+U,P1,A2B2C11D2_aP17_1_2a_2a_11a_2a:Li-Mo-O-P,17.0,A2B2C11D2_aP17_1_2a_2a_11a_2a:Li-Mo-O-P +mp-585332,LiMo4P7O24,-8.0936012071,-2.4851242648,0.009450139,0.009450139,GGA+U,P-1,AB4C24D7_aP72_2_i_4i_24i_7i:Li-Mo-O-P,72.0,"Invalid WP multiplicities - AB4C24D7_aP72_2_i_8i_47i_13i:Li-Mo-O-P, expected LiMo8P13O47 to be LiMo4P7O24" +mp-25974,Li3MoP2O9,-7.311427862,-2.5168130537,0.0526929674,0.0526929674,GGA+U,P1,A3BC9D2_aP30_1_6a_2a_18a_4a:Li-Mo-O-P,30.0,A3BC9D2_aP30_1_6a_2a_18a_4a:Li-Mo-O-P +mp-705470,Li3Mo4P5O24,-7.8395343807,-2.4257451962,0.0200250241,0.0200250241,GGA+U,Cc,A3B4C24D5_mC144_9_3a_4a_24a_5a:Li-Mo-O-P,72.0,"Invalid WP multiplicities - A3B4C24D5_mC144_9_5a_8a_48a_10a:Li-Mo-O-P, expected Li5Mo8(P5O24)2 to be Li3Mo4P5O24" +mp-25952,LiMoP4O13,-7.6738479868,-2.4783355527,0.0423752275,0.0423752275,GGA+U,P1,ABC13D4_aP38_1_2a_2a_26a_8a:Li-Mo-O-P,38.0,ABC13D4_aP38_1_2a_2a_26a_8a:Li-Mo-O-P +mp-26401,LiMoP4O13,-7.6777149157,-2.4822024815,0.0385082986,0.0385082986,GGA+U,P2_12_12_1,ABC13D4_oP76_19_a_a_13a_4a:Li-Mo-O-P,76.0,"Invalid WP multiplicities - ABC13D4_oP76_19_a_a_49a_14a:Li-Mo-O-P, expected LiMo(P2O7)7 to be LiMoP4O13" +mp-26439,Li3Mo2(PO4)3,-7.695634801,-2.5447227572,0.0221218525,0.0037443867,GGA+U,Cc,A3B2C12D3_mC80_9_3a_2a_12a_3a:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_e2f_f_21f_2e2f:Li-Mo-O-P, expected Li5Mo2(PO7)6 to be Li3Mo2(PO4)3" +mp-26535,Li3Mo2(PO4)3,-7.691206069,-2.5402940253,0.0265505845,0.0081731187,GGA+U,C2/m,A3B2C12D3_mC80_12_3i_aci_6i3j_3i:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_12_5i_adi_11i9j_6i:Li-Mo-O-P, expected Li5Mo2P6O29 to be Li3Mo2(PO4)3" +mp-26105,Li3Mo2(PO4)3,-7.7130432891,-2.5621312454,0.0047133644,-0.0136641014,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mo-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_5e_45e_9e:Li-Mo-O-P, expected Li9Mo5(PO5)9 to be Li3Mo2(PO4)3" +mp-26085,Li3Mo2(PO4)3,-7.7088571912,-2.5579451475,0.0088994622,-0.0094780036,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mo-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_7e_45e_9e:Li-Mo-O-P, expected Li9Mo7(PO5)9 to be Li3Mo2(PO4)3" +mp-32107,Li3Mo2(PO4)3,-7.6987203458,-2.547808302,0.0190363077,0.0006588419,GGA+U,C2/c,A3B2C12D3_mC80_15_ef_f_6f_ef:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_e2f_f_21f_2e2f:Li-Mo-O-P, expected Li5Mo2(PO7)6 to be Li3Mo2(PO4)3" +mp-27003,Li3Mo2(PO4)3,-7.7177566535,-2.5668446097,0.0,-0.0183774658,GGA+U,R-3,A3B2C12D3_hR120_148_f_2c_4f_f:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_hR120_148_f_3c_22f_f:Li-Mo-O-P, expected LiMoPO22 to be Li3Mo2(PO4)3" +mp-704183,LiMo2PO8,-7.9750273396,-2.259441066,0.0382901816,0.0382901816,GGA+U,P2_1,AB2C8D_mP48_4_2a_4a_16a_2a:Li-Mo-O-P,48.0,"Invalid WP multiplicities - AB2C8D_mP48_4_2a_7a_30a_4a:Li-Mo-O-P, expected Li2Mo7(P2O15)2 to be LiMo2PO8" +mp-32123,LiMo2PO8,-7.9908950098,-2.2753087362,0.0224225114,0.0224225114,GGA+U,P2_12_12_1,AB2C8D_oP48_19_a_2a_8a_a:Li-Mo-O-P,48.0,"Invalid WP multiplicities - AB2C8D_oP48_19_a_4a_31a_a:Li-Mo-O-P, expected LiMo4PO31 to be LiMo2PO8" +mp-26009,LiMo2P2O11,-7.9113948436,-2.3588695984,0.0026508699,0.0026508699,GGA+U,P2_1/m,AB2C11D2_mP64_11_ae_2ef_c7e7f_2ef:Li-Mo-O-P,64.0,"Invalid WP multiplicities - AB2C11D2_mP64_11_a2e_4ef_d14e16f_3e2f:Li-Mo-O-P, expected Li3Mo6P7O47 to be LiMo2P2O11" +mp-704204,Li2MoP4O13,-7.587722838799999,-2.5565398829,0.0491648047,0.0491648047,GGA+U,P-1,A2BC13D4_aP40_2_2i_i_13i_4i:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A2BC13D4_aP40_2_3i_i_25i_7i:Li-Mo-O-P, expected Li3MoP7O25 to be Li2MoP4O13" +mp-1101555,Li2MoP4O13,-7.6243730408,-2.5931900849,0.0125146027,0.0125146027,GGA+U,P-1,A2BC13D4_aP40_2_2i_i_13i_4i:Li-Mo-O-P,40.0,"Invalid WP multiplicities - A2BC13D4_aP40_2_3i_i_25i_6i:Li-Mo-O-P, expected Li3MoP6O25 to be Li2MoP4O13" +mp-540310,Li2Mo(PO3)5,-7.6171394733,-2.5766899495,0.0333421007,0.0333421007,GGA+U,P2_1/m,A2BC15D5_mP46_11_f_a_3e6f_e2f:Li-Mo-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_11_f_a_5e23f_2e6f:Li-Mo-O-P, expected Li2MoP14O51 to be Li2Mo(PO3)5" +mp-504158,Li4MoP2O9,-7.1839653734,-2.5697063115,0.0466849142,0.0466849142,GGA+U,C2/m,A4BC9D2_mC64_12_fg2i_e_5i2j_2i:Li-Mo-O-P,32.0,"Invalid WP multiplicities - A4BC9D2_mC64_12_eg4i_f_9i4j_3i:Li-Mo-O-P, expected Li6MoP3O17 to be Li4MoP2O9" +mp-26347,Li3Mo(PO4)2,-7.3793576636,-2.5956052769,0.0247505034,0.0247505034,GGA+U,C2/m,A3BC8D2_mC28_12_ai_c_2ij_i:Li-Mo-O-P,28.0,"Invalid WP multiplicities - A3BC8D2_mC28_12_2a3i_d_7i2j_i:Li-Mo-O-P, expected Li8Mo(PO11)2 to be Li3Mo(PO4)2" +mp-26519,Li3Mo(PO4)2,-7.3746788136,-2.5909264269,0.0294293534,0.0294293534,GGA+U,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:Li-Mo-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_14_7e_e_29e_5e:Li-Mo-O-P, expected Li7MoP5O29 to be Li3Mo(PO4)2" +mp-26501,Li3Mo(PO4)2,-7.3755836675,-2.5918312808,0.0285244995,0.0285244995,GGA+U,P2_1/c,A3BC8D2_mP28_14_ae_d_4e_e:Li-Mo-O-P,28.0,"Invalid WP multiplicities - A3BC8D2_mP28_14_2ae_d_10e_e:Li-Mo-O-P, expected Li4Mo(PO10)2 to be Li3Mo(PO4)2" +mp-705341,Li3Mo4P9O32,-7.8534936099,-2.5175950607,0.0327924665,0.0327924665,GGA+U,P-42_1c,A3B4C32D9_tP96_114_ad_e_8e_b2e:Li-Mo-O-P,96.0,"Invalid WP multiplicities - A3B4C32D9_tP96_114_2ad_e_54e_b8e:Li-Mo-O-P, expected Li4Mo4(P11O72)3 to be Li3Mo4P9O32" +mp-559443,NaLi2Mo2P3O14,-7.6072491665,-2.5015573154,0.0,-0.0107643847,GGA+U,C2/c,A2B2CD14E3_mC176_15_2f_2f_ce_14f_3f:Li-Mo-Na-O-P,88.0,"Invalid WP multiplicities - A2B2CD14E3_mC176_15_3f_4f_2c2e_53f_10f:Li-Mo-Na-O-P, expected Na2Li3Mo4P10O53 to be NaLi2Mo2P3O14" +mp-699602,Li3Mo2P3O14,-7.5591160653,-2.426769779,0.0754214444,0.0754214444,GGA+U,P2_1/c,A3B2C14D3_mP176_14_6e_4e_28e_6e:Li-Mo-O-P,176.0,"Invalid WP multiplicities - A3B2C14D3_mP176_14_20e_12e_111e_23e:Li-Mo-O-P, expected Li20Mo12P23O111 to be Li3Mo2P3O14" +mp-1101504,LiMo(PO4)2,-7.7088835117,-2.4459928717,0.0574421644,0.0556225345,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Li-Mo-O-P,12.0,ABC8D2_aP12_1_a_a_8a_2a:Li-Mo-O-P +mp-1101509,LiMo(PO4)2,-7.7143470858,-2.4514564458,0.0519785902,0.0501589603,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Li-Mo-O-P,12.0,ABC8D2_aP12_1_a_a_8a_2a:Li-Mo-O-P +mp-540038,LiMo(PO4)2,-7.7306503981,-2.4677597581,0.0356752779,0.0338556481,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Li-Mo-O-P,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_30e_2e:Li-Mo-O-P, expected LiMo(PO15)2 to be LiMo(PO4)2" +mp-25938,LiMo(PO4)2,-7.7132997669,-2.4504091269,0.0530259092,0.0512062793,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Li-Mo-O-P,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_29e_5e:Li-Mo-O-P, expected LiMoP5O29 to be LiMo(PO4)2" +mp-26832,LiMo(PO4)2,-7.7108131213,-2.4479224813,0.0555125548,0.0536929249,GGA+U,P2_1/c,ABC8D2_mP24_14_a_d_4e_e:Li-Mo-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_14_a_d_11e_e:Li-Mo-O-P, expected LiMo(PO11)2 to be LiMo(PO4)2" +mp-25983,LiMo(PO4)2,-7.766325676,-2.503435036,0.0,-0.0018196299,GGA+U,P2_1/c,ABC8D2_mP144_14_3e_3e_24e_6e:Li-Mo-O-P,144.0,"Invalid WP multiplicities - ABC8D2_mP144_14_11e_9e_95e_23e:Li-Mo-O-P, expected Li11Mo9P23O95 to be LiMo(PO4)2" +mp-26864,LiMo(PO4)2,-7.7044233537,-2.4415327137,0.0619023223,0.0600826924,GGA+U,C2/c,ABC8D2_mC48_15_e_a_4f_f:Li-Mo-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_c_13f_f:Li-Mo-O-P, expected LiMo(PO13)2 to be LiMo(PO4)2" +mp-705333,LiMo(PO4)2,-7.7348493506,-2.4719587106,0.0314763254,0.0296566956,GGA+U,P2_12_12_1,ABC8D2_oP48_19_a_a_8a_2a:Li-Mo-O-P,48.0,"Invalid WP multiplicities - ABC8D2_oP48_19_a_a_30a_7a:Li-Mo-O-P, expected LiMoP7O30 to be LiMo(PO4)2" +mp-585043,LiMo(PO4)2,-7.6397527067,-2.3768620667,0.1265729694,0.1247533395,GGA+U,P3,ABC8D2_hP12_143_a_c_ab2d_ab:Li-Mo-O-P,12.0,"Invalid WP multiplicities - ABC8D2_hP12_143_a_c_ab5d_ab:Li-Mo-O-P, expected LiMoP2O17 to be LiMo(PO4)2" +mp-1203254,Na3Li(MoO7)2,-5.7598849222,-0.918812876,0.6109578171,0.6109578171,GGA+U,Cc,AB2C3D14_mC80_9_a_2a_3a_14a:Li-Mo-Na-O,40.0,AB2C3D14_mC80_9_a_2a_3a_14a:Li-Mo-Na-O +mp-585177,Li3Mo2P5O18,-7.6494387409,-2.5235466639,0.0574858815,0.0574858815,GGA+U,P-1,A3B2C18D5_aP56_2_3i_2i_18i_5i:Li-Mo-O-P,56.0,"Invalid WP multiplicities - A3B2C18D5_aP56_2_5i_3i_35i_9i:Li-Mo-O-P, expected Li5Mo3P9O35 to be Li3Mo2P5O18" +mp-821716,Li3Mo2P5O18,-4.6438722557,0.4820198213,3.0630523667,3.0630523667,GGA+U,P-1,A3B2C18D5_aP56_2_3i_2i_18i_5i:Li-Mo-O-P,56.0,"Invalid WP multiplicities - A3B2C18D5_aP56_2_5i_4i_35i_8i:Li-Mo-O-P, expected Li5Mo4P8O35 to be Li3Mo2P5O18" +mp-585261,LiMo4(P2O11)2,-7.9712618403,-2.3012010345,0.0139754026,0.0139754026,GGA+U,P-1,AB4C22D4_aP31_2_a_2i_11i_2i:Li-Mo-O-P,31.0,"Invalid WP multiplicities - AB4C22D4_aP31_2_a_3i_21i_3i:Li-Mo-O-P, expected LiMo6(PO7)6 to be LiMo4(P2O11)2" +mp-26237,LiMo2P3O13,-7.9201037829,-2.438678317,0.0108469957,0.0108469957,GGA+U,P-1,AB2C13D3_aP38_2_i_2i_13i_3i:Li-Mo-O-P,38.0,"Invalid WP multiplicities - AB2C13D3_aP38_2_i_3i_25i_5i:Li-Mo-O-P, expected LiMo3(PO5)5 to be LiMo2P3O13" +mp-704198,LiMo2P3O13,-7.8877221043,-2.4062966384,0.0432286742,0.0432286742,GGA+U,P2_1,AB2C13D3_mP76_4_2a_4a_26a_6a:Li-Mo-O-P,76.0,"Invalid WP multiplicities - AB2C13D3_mP76_4_3a_8a_51a_11a:Li-Mo-O-P, expected Li3Mo8P11O51 to be LiMo2P3O13" +mp-32080,LiMo2P3O13,-7.9121083536,-2.4306828876,0.018842425,0.018842425,GGA+U,P2_1,AB2C13D3_mP76_4_2a_4a_26a_6a:Li-Mo-O-P,76.0,"Invalid WP multiplicities - AB2C13D3_mP76_4_3a_7a_51a_11a:Li-Mo-O-P, expected Li3Mo7P11O51 to be LiMo2P3O13" +mp-26193,LiMo2P3O13,-7.9209660101,-2.4395405442,0.0099847684,0.0099847684,GGA+U,P2_1/c,AB2C13D3_mP76_14_e_2e_13e_3e:Li-Mo-O-P,76.0,"Invalid WP multiplicities - AB2C13D3_mP76_14_e_5e_49e_9e:Li-Mo-O-P, expected LiMo5P9O49 to be LiMo2P3O13" +mp-705380,LiMo2P3O13,-7.8806775513,-2.3992520854,0.0502732272,0.0502732272,GGA+U,C2/c,AB2C13D3_mC76_15_c_f_e6f_ef:Li-Mo-O-P,38.0,"Invalid WP multiplicities - AB2C13D3_mC76_15_c_f_2e21f_2e2f:Li-Mo-O-P, expected LiMo2(P3O22)2 to be LiMo2P3O13" +mp-26319,Li3Mo(PO3)8,-7.4857630967,-2.5246695457,0.0478463852,0.0478463852,GGA+U,C2,A3BC24D8_mC72_5_ac_b_12c_4c:Li-Mo-O-P,36.0,"Invalid WP multiplicities - A3BC24D8_mC72_5_ac_b_23c_7c:Li-Mo-O-P, expected Li3Mo(P7O23)2 to be Li3Mo(PO3)8" +mp-1195001,Na5Li(Mo3O10)3,-7.7217312574,-2.0654409983,0.0,-0.0007578756,GGA+U,Fdd2,AB9C5D30_oF360_43_a_a4b_a2b_15b:Li-Mo-Na-O,90.0,AB9C5D30_oF360_43_a_a4b_a2b_15b:Li-Mo-Na-O +mp-1012668,LiMo2P2O9,-8.0817601441,-2.4426868226,0.0209933666,0.0209933666,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Li-Mo-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Li-Mo-O-P, expected LiMo2P2O11 to be LiMo2P2O9" +mp-1048370,Ba2AlW3O7,-7.99331332,-1.7560258293,0.8113358091,0.8113358091,GGA+U,Pmm2,AB2C7D3_oP13_25_a_2a_2b3c2d_3d:Al-Ba-O-W,13.0,AB2C7D3_oP13_25_a_2a_2b3c2d_3d:Al-Ba-O-W +mp-1045008,Ba2AlW3O7,-8.0474500223,-1.8101625316,0.7571991068,0.7571991068,GGA+U,Pmmm,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-W,13.0,"Invalid WP multiplicities - AB2C7D3_oP13_47_f_k_aijl_c2j:Al-Ba-O-W, expected Ba2AlW5O7 to be Ba2AlW3O7" +mp-1048423,BaAlW4O7,-8.511509952699999,-1.4250566705,0.8481398703,0.8481398703,GGA+U,P6_3mc,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-W,26.0,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-W +mp-1046939,BaTl(WO3)2,-7.7744159855,-1.7866149041,0.4626255162,0.4626255162,GGA+U,P1,AB6CD2_aP20_1_2a_12a_2a_4a:Ba-O-Tl-W,20.0,"Invalid WP multiplicities - AB6CD2_mC40_8_b_12b_b_3b:Ba-O-Tl-W, expected BaTl(WO4)3 to be BaTl(WO3)2" +mp-1046350,Ba2TlW2O7,-7.6025277658,-2.0405548937,0.4173249787,0.4173249787,GGA+U,P4/mmm,A2B7CD2_tP12_123_h_cgi_a_g:Ba-O-Tl-W,12.0,A2B7CD2_tP12_123_h_cgi_a_g:Ba-O-Tl-W +mp-1046584,Ba2Tl2W3O10,-7.5505335618,-1.8502680338,0.4363357452,0.4363357452,GGA+U,P1,A2B10C2D3_aP17_1_2a_10a_2a_3a:Ba-O-Tl-W,17.0,A2B10C2D3_aP17_1_2a_10a_2a_3a:Ba-O-Tl-W +mp-1046389,Ba2AlTlW2O7,-7.2120539223,-1.7898038996,0.7775577389,0.7775577389,GGA+U,P4/mmm,AB2C7DE2_tP13_123_b_g_ahi_c_h:Al-Ba-O-Tl-W,13.0,"Invalid WP multiplicities - AB2C7DE2_tP13_123_b_g_a2h2i_c_h:Al-Ba-O-Tl-W, expected Ba2AlTlW2O13 to be Ba2AlTlW2O7" +mp-1048143,Ba2AlW3O8,-8.1198855329,-1.9747836693,0.6424208244,0.6424208244,GGA+U,P4/mmm,AB2C8D3_tP14_123_c_h_egi_bg:Al-Ba-O-W,14.0,"Invalid WP multiplicities - AB2C8D3_tP14_123_c_h_2e2g2i_b2g:Al-Ba-O-W, expected Ba2AlW5O16 to be Ba2AlW3O8" +mp-1178391,CsLiWO4,-7.4024249971,-2.3239663809,0.0,-0.0191750346,GGA+U,I-4,ABC4D_tI14_82_a_c_g_b:Cs-Li-O-W,7.0,ABC4D_tI14_82_a_c_g_b:Cs-Li-O-W +mp-1235075,Cs2LiTm2(WO4)4,-8.3373404936,-2.5921029433,0.065508306,0.065508306,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Li-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Li-O-Tm-W +mp-1235182,Cs2LiTm2(WO4)4,-8.3217990928,-2.5765615425,0.0810497068,0.0810497068,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Li-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Li-O-Tm-W +mp-1210997,LiTm(WO4)2,-8.6679735738,-2.6784295371,0.0,-0.007749723,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Li-O-Tm-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Li-O-Tm-W +mp-1282646,Sr2FeWO6,-8.071697325,-2.6229702636,0.041395368,-0.0010349338,GGA+U,P1,AB6C2D_aP20_1_2a_12a_4a_2a:Fe-O-Sr-W,20.0,AB6C2D_aP20_1_2a_12a_4a_2a:Fe-O-Sr-W +mp-1272760,Sr2FeWO6,-8.110336606,-2.6616095446,0.002756087,-0.0396742148,GGA+U,P-1,AB6C2D_aP20_2_be_6i_2i_i:Fe-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_aP20_2_ac_9i_3i_i:Fe-O-Sr-W, expected Sr3FeWO9 to be Sr2FeWO6" +mp-1278154,Sr2FeWO6,-8.109627213,-2.6609001516,0.00346548,-0.0389648218,GGA+U,P-1,AB6C2D_aP20_2_be_6i_2i_i:Fe-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_aP20_2_ad_12i_4i_i:Fe-O-Sr-W, expected Sr4FeWO12 to be Sr2FeWO6" +mp-1278360,Sr2FeWO6,-8.070345007,-2.6216179456,0.042747686,0.0003173842,GGA+U,C2/m,AB6C2D_mC40_12_ad_gh4i_j_bc:Fe-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_mC40_12_ad_2gh6i_j_bc:Fe-O-Sr-W, expected Sr2FeWO9 to be Sr2FeWO6" +mp-19266,Sr2FeWO6,-8.113092693,-2.6643656316,0.0,-0.0424303018,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sr-W,20.0,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Sr-W +mp-1274143,Sr2FeWO6,-8.109602552,-2.6608754906,0.003490141,-0.0389401608,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Fe-O-Sr-W,10.0,AB6C2D_mC20_12_a_g2i_h_b:Fe-O-Sr-W +mp-549767,Sr2FeWO6,-7.90885946,-2.4601323986,0.204233233,0.1618029312,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Fe-O-Sr-W +mp-759431,Fe3Co2Te(PO4)6,-7.6027293931,-2.2146641369,0.0361631842,0.0361631842,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-Te,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-Te, expected Fe3Co2Te(PO10)6 to be Fe3Co2Te(PO4)6" +mp-1190932,Co3Te2(PO7)2,-6.7898818419,-1.6617003113000002,0.1905567713,0.1905567713,GGA+U,C2/m,A3B14C2D2_mC42_12_ae_3i2j_i_i:Co-O-P-Te,21.0,A3B14C2D2_mC42_12_af_3i2j_i_i:Co-O-P-Te +mp-731713,MnV2Pb2O9,-7.7069001436,-2.0443772883,0.0288144764,0.0288144764,GGA+U,P2_1/m,AB9C2D2_mP28_11_a_5e2f_2e_2e:Mn-O-Pb-V,28.0,AB9C2D2_mP28_11_a_5e2f_2e_2e:Mn-O-Pb-V +mp-1221016,NaV3(PbO3)4,-7.25281582,-2.1135610041,0.0,-0.014867096,GGA+U,P6_3,AB12C4D3_hP40_173_b_4c_bc_c:Na-O-Pb-V,40.0,AB12C4D3_hP40_173_b_4c_bc_c:Na-O-Pb-V +mp-1210744,Mn2V2PbO10,-7.9258136033,-1.9477218096,0.102798856,0.102798856,GGA+U,C2/m,A2B10CD2_mC30_12_f_3ij_a_i:Mn-O-Pb-V,15.0,A2B10CD2_mC30_12_e_3ij_a_i:Mn-O-Pb-V +mp-631631,Mn5V2Pb3O16,-7.9500181769,-2.0168316696,0.0030760341,0.0030760341,GGA+U,P-3m1,A5B16C3D2_hP26_164_ce_2d2i_bd_d:Mn-O-Pb-V,26.0,"Invalid WP multiplicities - A5B16C3D2_hP26_164_c2e_4d8i_bd_d:Mn-O-Pb-V, expected Mn8V2Pb3O56 to be Mn5V2Pb3O16" +mp-818571,MnVPbO5,-7.9265390353,-2.0900375368,0.0148416131,0.0148416131,GGA+U,Pnma,AB5CD_oP32_62_a_3cd_c_c:Mn-O-Pb-V,32.0,AB5CD_oP32_62_a_3cd_c_c:Mn-O-Pb-V +mp-706292,NaMn2V3(PbO6)2,-7.9113134635,-2.2271218254,0.0,-0.0241634181,GGA+U,I4_1/acd,A2BC12D2E3_tI160_142_c_b_3g_e_ae:Mn-Na-O-Pb-V,80.0,"Invalid WP multiplicities - A2BC12D2E3_tI160_142_c_b_37g_e_4a5e:Mn-Na-O-Pb-V, expected NaMn2V14(PbO74)2 to be NaMn2V3(PbO6)2" +mp-818591,MnV2(PbO4)2,-7.8101239258,-2.0925369056,0.0463870076,0.0463870076,GGA+U,P2_1/m,AB8C2D2_mP26_11_a_4e2f_2e_2e:Mn-O-Pb-V,26.0,AB8C2D2_mP26_11_a_4e2f_2e_2e:Mn-O-Pb-V +mp-758117,LiFeCO4,-7.4839366696,-1.8561703248,0.1051837454,0.1051837454,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_11e:C-Fe-Li-O, expected LiFeCO11 to be LiFeCO4" +mp-757939,LiFeCO4,-7.4761628614,-1.8483965165,0.1129575536,0.1129575536,GGA+U,Ccc2,ABCD4_oC56_37_d_d_d_4d:C-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oC56_37_d_d_d_13d:C-Fe-Li-O, expected LiFeCO13 to be LiFeCO4" +mp-757567,LiFeCO4,-7.5378482975,-1.9100819526,0.0512721175,0.0512721175,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:C-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_13c:C-Fe-Li-O, expected LiFeCO13 to be LiFeCO4" +mp-753336,Li3Fe2(CO3)4,-7.571520815199999,-1.9076285521,0.073419406,0.073419406,GGA+U,P1,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Fe-Li-O,21.0,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Fe-Li-O +mp-758565,Li3Fe2(CO3)4,-7.5585920207,-1.8946997576,0.0863482005,0.0863482005,GGA+U,P2_1,A4B2C3D12_mP42_4_4a_2a_3a_12a:C-Fe-Li-O,42.0,"Invalid WP multiplicities - A4B2C3D12_mP42_4_4a_2a_4a_20a:C-Fe-Li-O, expected Li2Fe(CO5)2 to be Li3Fe2(CO3)4" +mp-1176763,LiFe2(CO3)3,-7.8752997843,-1.8049557733,0.069001806,0.069001806,GGA+U,P1,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Fe-Li-O,30.0,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Fe-Li-O +mp-753178,LiFe2(CO3)3,-7.8031326493,-1.7327886383000002,0.141168941,0.141168941,GGA+U,Pm,A3B2CD9_mP15_6_a2b_ab_a_3a2b2c:C-Fe-Li-O,15.0,"Invalid WP multiplicities - A3B2CD9_mP15_6_a2b_ab_a_3a2b4c:C-Fe-Li-O, expected LiFe2C3O13 to be LiFe2(CO3)3" +mp-765153,Li5Fe(CO3)4,-7.2392643302,-2.0442842371,0.0530705473,0.0530705473,GGA+U,P2_1/c,A4BC5D12_mP88_14_4e_e_5e_12e:C-Fe-Li-O,88.0,"Invalid WP multiplicities - A4BC5D12_mP88_14_7e_e_9e_27e:C-Fe-Li-O, expected Li9FeC7O27 to be Li5Fe(CO3)4" +mp-882899,Li17Fe4(CO3)16,-7.2794295221,-1.9684709387,0.0585267504,0.0585267504,GGA+U,P1,A16B4C17D48_aP85_1_16a_4a_17a_48a:C-Fe-Li-O,85.0,A16B4C17D48_aP85_1_16a_4a_17a_48a:C-Fe-Li-O +mp-770822,Li3FeSiCO7,-7.0789990608,-2.1961071907,0.2144363833,0.2144363833,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Fe-Li-O-Si, expected Li4FeSiCO13 to be Li3FeSiCO7" +mp-1178002,Li2Fe2(CO3)3,-7.6956245706,-1.8853693811,0.077026495,0.077026495,GGA+U,P1,A3B2C2D9_aP32_1_6a_4a_4a_18a:C-Fe-Li-O,32.0,A3B2C2D9_aP32_1_6a_4a_4a_18a:C-Fe-Li-O +mp-1302307,Li2Fe2(CO3)3,-7.6665685397,-1.8563133502,0.1060825259,0.1060825259,GGA+U,P1,A3B2C2D9_aP32_1_6a_4a_4a_18a:C-Fe-Li-O,32.0,"Invalid WP multiplicities - A3B2C2D9_mC32_8_ab_3a_b_a4b:C-Fe-Li-O, expected Li2Fe3(CO3)3 to be Li2Fe2(CO3)3" +mp-1297814,Li2Fe2(CO3)3,-7.6587333562,-1.8484781667,0.1139177094,0.1139177094,GGA+U,Cm,A3B2C2D9_mC32_8_ab_2a_b_a4b:C-Fe-Li-O,16.0,"Invalid WP multiplicities - A3B2C2D9_mC32_8_ab_2a_b_a5b:C-Fe-Li-O, expected Li2Fe2C3O11 to be Li2Fe2(CO3)3" +mp-761992,Li2Fe2(CO3)3,-7.6575290284,-1.8472738389,0.1151220372,0.1151220372,GGA+U,Amm2,A3B2C2D9_oC64_38_cde_abc_f_cde3f:C-Fe-Li-O,32.0,"Invalid WP multiplicities - A3B2C2D9_oC64_38_c2d2e_abc_f_c2d2e8f:C-Fe-Li-O, expected Li2Fe2C5O21 to be Li2Fe2(CO3)3" +mp-758191,Li2Fe2(CO3)3,-7.6727126575,-1.862457468,0.0999384081,0.0999384081,GGA+U,Amm2,A3B2C2D9_oC32_38_ae_d_ab_adef:C-Fe-Li-O,32.0,A3B2C2D9_oC32_38_ae_d_ab_adef:C-Fe-Li-O +mp-1290535,Li2Fe2(CO3)3,-7.6563525441,-1.8460973546,0.1162985216,0.1162985216,GGA+U,Imm2,A3B2C2D9_oI64_44_c2d_abc_e_c2d3e:C-Fe-Li-O,32.0,"Invalid WP multiplicities - A3B2C2D9_oI64_44_c4d_abc_e_c4d8e:C-Fe-Li-O, expected Li2Fe2C5O21 to be Li2Fe2(CO3)3" +mp-765004,Li3Fe2(CO4)2,-7.3151537547,-1.9353103083,0.0964318578,0.0964318578,GGA+U,Pc,A2B2C3D8_mP30_7_2a_2a_3a_8a:C-Fe-Li-O,30.0,"Invalid WP multiplicities - A2B2C3D8_mP30_7_2a_4a_3a_12a:C-Fe-Li-O, expected Li3Fe4(CO6)2 to be Li3Fe2(CO4)2" +mp-849784,LiFe2C2O7,-7.7413310058,-1.7469045683000002,0.1432890804,0.1432890804,GGA+U,C2,A2B2CD7_mC72_5_3c_3c_ac_a10c:C-Fe-Li-O,36.0,A2B2CD7_mC72_5_3c_3c_ac_a10c:C-Fe-Li-O +mp-762511,LiFe2C2O7,-7.7792099458,-1.7847835083,0.1054101404,0.1054101404,GGA+U,Cc,A2B2CD7_mC48_9_2a_2a_a_7a:C-Fe-Li-O,24.0,A2B2CD7_aP24_1_4a_4a_2a_14a:C-Fe-Li-O +mp-757949,LiFe2C2O7,-7.7480201344,-1.7535936968,0.1365999519,0.1365999519,GGA+U,P2_1/c,A2B2CD7_mP48_14_2e_2e_e_7e:C-Fe-Li-O,48.0,"Invalid WP multiplicities - A2B2CD7_mP48_14_7e_7e_e_25e:C-Fe-Li-O, expected LiFe7C7O25 to be LiFe2C2O7" +mp-758633,LiFe2C2O7,-7.757679665,-1.7632532275,0.1269404212,0.1269404212,GGA+U,P2_1/c,A2B2CD7_mP48_14_2e_2e_e_7e:C-Fe-Li-O,48.0,"Invalid WP multiplicities - A2B2CD7_mP48_14_3e_5e_e_23e:C-Fe-Li-O, expected LiFe5C3O23 to be LiFe2C2O7" +mp-1176733,LiFe2C2O7,-7.7697331354,-1.7753066979,0.1148869508,0.1148869508,GGA+U,P31c,A2B2CD7_hP24_159_2b_2b_a_b2c:C-Fe-Li-O,24.0,"Invalid WP multiplicities - A2B2CD7_hP24_159_4b_4b_a_b4c:C-Fe-Li-O, expected LiFe4C4O13 to be LiFe2C2O7" +mp-653596,Fe4Si(CO)16,-7.7885263302,-0.5963352456000001,0.7800568959,0.7800568959,GGA+U,P2_1/c,A16B4C16D_mP148_14_16e_4e_16e_e:C-Fe-O-Si,148.0,"Invalid WP multiplicities - A16B4C16D_mP148_14_60e_11e_62e_e:C-Fe-O-Si, expected Fe11Si(C30O31)2 to be Fe4Si(CO)16" +mp-763588,LiFe(CO3)2,-7.683452718,-1.8318119851,0.0838398545,0.066438638,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Fe-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_4_2a_a_a_10a:C-Fe-Li-O, expected LiFe(CO5)2 to be LiFe(CO3)2" +mp-753230,LiFe(CO3)2,-7.6881008795,-1.8364601466,0.079191693,0.0617904765,GGA+U,Cc,A2BCD6_mC40_9_2a_a_a_6a:C-Fe-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_9_4a_a_a_12a:C-Fe-Li-O, expected LiFe(CO3)4 to be LiFe(CO3)2" +mp-758508,LiFe(CO3)2,-7.6890769762,-1.8374362433,0.0782155962,0.0608143798,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:C-Fe-Li-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_3e_e_e_19e:C-Fe-Li-O, expected LiFeC3O19 to be LiFe(CO3)2" +mp-753899,LiFe(CO3)2,-7.7672925725,-1.9156518396,0.0,-0.0174012165,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Fe-Li-O,40.0,A2BCD6_hR30_148_c_a_b_f:C-Fe-Li-O +mp-772072,Li2FeSiCO7,-7.3291060958,-2.1983834755,0.098814568,0.098814568,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-Si,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-Si +mp-1120719,LiSiC2,-6.34926715,0.0986258204,0.2456946258,0.2456946258,GGA,P4_2/mmc,A2BC_tP8_131_j_f_e:C-Li-Si,8.0,A2BC_tP8_131_j_f_e:C-Li-Si +mp-759155,Li2Fe2C2O7,-7.5467659356,-1.8666090035,0.0879909806,0.0879909806,GGA+U,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:C-Fe-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_5e_7e_3e_25e:C-Fe-Li-O, expected Li3Fe7(CO5)5 to be Li2Fe2C2O7" +mp-757644,Li2Fe2C2O7,-7.5352269598,-1.8550700277,0.0995299563,0.0995299563,GGA+U,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:C-Fe-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_7e_3e_5e_25e:C-Fe-Li-O, expected Li5Fe3C7O25 to be Li2Fe2C2O7" +mp-763371,LiFe2(CO3)4,-7.7645858526,-1.7054336531,0.0865778632,0.0865778632,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:C-Fe-Li-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:C-Fe-Li-O +mp-763524,LiFe2(CO3)4,-7.7544299521,-1.6952777525,0.0967337637,0.0967337637,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:C-Fe-Li-O,38.0,"Invalid WP multiplicities - A4B2CD12_aP19_1_4a_4a_a_12a:C-Fe-Li-O, expected LiFe4(CO3)4 to be LiFe2(CO3)4" +mp-1290773,LiFe2(CO3)4,-7.7620687968,-1.7029165973,0.089094919,0.089094919,GGA+U,P1,A4B2CD12_aP38_1_8a_4a_2a_24a:C-Fe-Li-O,38.0,A4B2CD12_aP38_1_8a_4a_2a_24a:C-Fe-Li-O +mp-758039,LiFe2(CO3)4,-7.7700588532,-1.7109066536,0.0811048627,0.0811048627,GGA+U,P2_1,A4B2CD12_mP38_4_4a_2a_a_12a:C-Fe-Li-O,38.0,"Invalid WP multiplicities - A4B2CD12_mP38_4_4a_2a_a_20a:C-Fe-Li-O, expected LiFe2(CO5)4 to be LiFe2(CO3)4" +mp-757693,Li2FeCO5,-7.0373880358,-1.8985018145,0.0750848803,0.0750848803,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:C-Fe-Li-O,36.0,"Invalid WP multiplicities - ABC2D5_oP36_55_g_g_2a2d2h_10g7h:C-Fe-Li-O, expected Li4FeCO17 to be Li2FeCO5" +mp-754028,Li2Fe(CO3)2,-7.4299013282,-1.9366894922,0.1038094827,0.1038094827,GGA+U,C2/m,A2BC2D6_mC22_12_i_a_f_ij:C-Fe-Li-O,22.0,A2BC2D6_mC22_12_i_a_e_ij:C-Fe-Li-O +mp-759815,Li2Fe(CO3)2,-7.4672911041,-1.9740792681,0.0664197068,0.0664197068,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:C-Fe-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_3e_e_7e_19e:C-Fe-Li-O, expected Li7FeC3O19 to be Li2Fe(CO3)2" +mp-759605,Li2Fe(CO3)2,-7.5023178591,-2.0091060231,0.0313929518,0.0313929518,GGA+U,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:C-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_14_e_a_e_7e:C-Fe-Li-O, expected Li2Fe(CO7)2 to be Li2Fe(CO3)2" +mp-757940,Li2Fe(CO3)2,-7.436469475,-1.943257639,0.0972413359,0.0972413359,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:C-Fe-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_3e_e_7e_21e:C-Fe-Li-O, expected Li7Fe(CO7)3 to be Li2Fe(CO3)2" +mp-757129,Li2Fe(CO3)2,-7.4697832386,-1.9765714027,0.0639275723,0.0639275723,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_9b:C-Fe-Li-O, expected Li2Fe(CO9)2 to be Li2Fe(CO3)2" +mp-1568135,Li2Fe(CO3)2,-7.4933058818,-2.0000940458,0.0404049291,0.0404049291,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_9b:C-Fe-Li-O, expected Li2Fe(CO9)2 to be Li2Fe(CO3)2" +mp-757609,Li2FeCO4,-7.13681145,-1.9739005399,0.0832187725,0.0832187725,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:C-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:C-Fe-Li-O, expected Li3FeCO11 to be Li2FeCO4" +mp-765096,Li3Fe(CO3)3,-7.3825005066,-1.9823139635,0.0582586506,0.0582586506,GGA+U,Ama2,A3BC3D9_oC64_40_bc_b_a2b_3b3c:C-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC3D9_oC64_40_2b3c_b_2a4b_6b11c:C-Fe-Li-O, expected Li6Fe(C2O7)4 to be Li3Fe(CO3)3" +mp-1316064,Li2V3SbO8,-7.7481962329,-2.4073337419,0.0036291182,-0.0201397122,GGA+U,P2/c,A2B8CD3_mP28_13_g_4g_f_ace:Li-O-Sb-V,28.0,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Sb-V +mp-756138,Li2V3SbO8,-7.7518253511,-2.4109628601,0.0,-0.0237688304,GGA+U,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Sb-V,28.0,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Sb-V +mp-756067,Li2V3SbO8,-7.7420127361,-2.4011502451,0.009812615,-0.0139562154,GGA+U,P6_3mc,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Sb-V,28.0,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Sb-V +mp-849570,Li2V3SbO8,-7.7479789602,-2.4071164692,0.0038463909,-0.0199224395,GGA+U,P4_332,A2B8CD3_cP56_212_c_ce_a_d:Li-O-Sb-V,56.0,"Invalid WP multiplicities - A2B8CD3_cP56_212_c_8c9e_a_d:Li-O-Sb-V, expected Li2V3SbO70 to be Li2V3SbO8" +mp-773139,Li4V3Sb5O16,-6.9056658096,-2.095685979,0.0881852726,0.0881852726,GGA+U,P1,A4B16C5D3_aP28_1_4a_16a_5a_3a:Li-O-Sb-V,28.0,A4B16C5D3_aP28_1_4a_16a_5a_3a:Li-O-Sb-V +mp-775699,Li6V3Sb3O16,-6.89902832,-2.2476255161,0.0667067754,0.0667067754,GGA+U,P1,A6B16C3D3_aP28_1_6a_16a_3a_3a:Li-O-Sb-V,28.0,A6B16C3D3_aP28_1_6a_16a_3a_3a:Li-O-Sb-V +mp-774880,Li6V3Sb3O16,-6.8930522311,-2.2416494271,0.0726828644,0.0726828644,GGA+U,Cm,A6B16C3D3_mC56_8_6a_8a4b_ab_ab:Li-O-Sb-V,28.0,"Invalid WP multiplicities - A6B16C3D3_mC56_8_6a_8a6b_ab_a2b:Li-O-Sb-V, expected Li6V5Sb3O20 to be Li6V3Sb3O16" +mp-775960,Li4V5Sb3O16,-7.4074903139,-2.2435887098,0.0916769475,0.0916769475,GGA+U,P1,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Sb-V,28.0,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Sb-V +mp-1207173,LiVSb,-4.98580264,0.0548074189,0.4977991853,0.4977991853,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Sb-V,3.0,ABC_cF12_216_a_b_c:Li-Sb-V +mp-762067,Li4Ti3V3(SbO8)2,-7.8694758536,-2.6559434398,0.0443101268,0.0443101268,GGA+U,P1,A4B16C2D3E3_aP28_1_4a_16a_2a_3a_3a:Li-O-Sb-Ti-V,56.0,"Invalid WP multiplicities - A4B16C2D3E3_aP28_1_4a_16a_2a_3a_6a:Li-O-Sb-Ti-V, expected Li4Ti3V6(SbO8)2 to be Li4Ti3V3(SbO8)2" +mp-758118,Li4Ti3V3(SbO8)2,-7.8506727729,-2.637140359,0.0631132075,0.0631132075,GGA+U,Cm,A4B16C2D3E3_mC56_8_4a_8a4b_2a_ab_ab:Li-O-Sb-Ti-V,28.0,"Invalid WP multiplicities - A4B16C2D3E3_mC56_8_4a_8a6b_2a_ab_ab:Li-O-Sb-Ti-V, expected Li4Ti3V3(SbO10)2 to be Li4Ti3V3(SbO8)2" +mp-1639812,Li6V5SbO12,-7.3330410796,-2.3179438577,0.0929798673,0.0929798673,GGA+U,C2,A6B12CD5_mC48_5_3c_6c_a_2a3b:Li-O-Sb-V,48.0,"Invalid WP multiplicities - A6B12CD5_mC48_5_3c_6c_a_2a4b:Li-O-Sb-V, expected Li6V6SbO12 to be Li6V5SbO12" +mp-765677,Li6V5SbO12,-7.3412908992,-2.3261936773,0.0847300477,0.0847300477,GGA+U,C2/m,A6B12CD5_mC48_12_ij_2i2j_a_dgh:Li-O-Sb-V,48.0,"Invalid WP multiplicities - A6B12CD5_mC48_12_ij_2i2j_a_2d2g2h:Li-O-Sb-V, expected Li6V10SbO12 to be Li6V5SbO12" +mp-1641618,Li6V5SbO12,-7.3302340396,-2.3151368177,0.0957869073,0.0957869073,GGA+U,C2/c,A6B12CD5_mC96_15_3f_6f_e_c2ef:Li-O-Sb-V,48.0,"Invalid WP multiplicities - A6B12CD5_mC96_15_7f_14f_e_2c4e2f:Li-O-Sb-V, expected Li14V10SbO28 to be Li6V5SbO12" +mp-1177488,Li3V3SbO8,-7.4122463347,-2.3001798187,0.0884972457,0.0884972457,GGA+U,C2/m,A3B8CD3_mC30_12_ce_2ij_a_bf:Li-O-Sb-V,30.0,"Invalid WP multiplicities - A3B8CD3_mC30_12_cf_2ij_a_2b2e:Li-O-Sb-V, expected Li3V6SbO8 to be Li3V3SbO8" +mp-697264,CdH2SeO4,-5.2234597353,-1.3495837137,0.016900712,0.016900712,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cd-H-O-Se,32.0,AB2C4D_oP32_62_c_d_2cd_c:Cd-H-O-Se +mp-697888,Na2CdH4(SeO5)2,-5.3473311616,-1.4737756566,0.0,-0.00356918,GGA,P2_1/c,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cd-H-Na-O-Se,38.0,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cd-H-Na-O-Se +mp-721583,CdH2SeO5,-5.3035034769,-1.3104260454,0.0,-0.0049872589,GGA,P2_1/c,AB2C5D_mP36_14_e_2e_5e_e:Cd-H-O-Se,36.0,AB2C5D_mP36_14_e_2e_5e_e:Cd-H-O-Se +mp-1207186,DyHSe,-5.4877218,-1.6559136791,0.0,-0.1400340235,GGA,P-6m2,ABC_hP3_187_a_c_f:Dy-H-Se,3.0,ABC_hP3_187_a_c_f:Dy-H-Se +mp-1104138,Dy(Mo3Se4)2,-7.4601373727,-0.9502720846,0.0489067543,0.0489067543,GGA,R-3,AB6C8_hR45_148_a_f_cf:Dy-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Dy-Mo-Se +mp-1203751,Dy2Mo3H2Se2O17,-7.5306457558,-2.1605877886,0.0,-0.0076874322,GGA+U,P2_1/m,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Dy-H-Mo-O-Se,52.0,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Dy-H-Mo-O-Se +mp-676664,KBa2DyBi2O9,-5.7059480943,-1.5888606058,0.8300762582000001,0.8300762582000001,GGA,P-3m1,A2B2CDE9_hP30_164_cd_abd_d_d_ef2i:Ba-Bi-Dy-K-O,30.0,"Invalid WP multiplicities - A2B2CDE9_hP30_164_cd_ab2d_d_d_ef4i:Ba-Bi-Dy-K-O, expected KBa2Dy(BiO5)3 to be KBa2DyBi2O9" +mp-1516333,BaEu(WO3)4,-8.9088336478,-2.0550135258,0.4143836472,0.4143836472,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Eu-O-W,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Eu-O-W, expected BaEu(WO4)4 to be BaEu(WO3)4" +mp-1517108,BaSmEuWO6,-9.0234328955,-3.0701503582,0.0221060128,0.0221060128,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Sm-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Sm-W, expected BaSmEuWO12 to be BaSmEuWO6" +mp-1517172,BaSmEuWO6,-8.9622872535,-3.0090047162,0.0832516548,0.0832516548,GGA+U,P-4n2,ABC6DE_tP20_118_c_d_ei_a_b:Ba-Eu-O-Sm-W,20.0,ABC6DE_tP20_118_c_d_ei_a_b:Ba-Eu-O-Sm-W +mp-1517380,BaSmEuWO6,-8.916879688,-2.9635971508,0.1286592203,0.1286592203,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sm-W +mp-1228249,Ba3Sm2WO9,-8.0191253243,-3.1742969429,0.0253580343,0.0253580343,GGA+U,Immm,A3B9C2D_oI60_71_fn_e3ln_abg_h:Ba-O-Sm-W,30.0,"Invalid WP multiplicities - A3B9C2D_oI60_71_2f3n_2e10l4n_ab2g_h:Ba-O-Sm-W, expected Ba8Sm3WO30 to be Ba3Sm2WO9" +mp-1517191,Ba2SmWO6,-8.2064719705,-3.0869921193,0.0,-0.0170598814,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sm-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sm-W +mp-1517250,Ba2SmWO6,-8.1444073,-3.0249274488,0.0620646705,0.0450047891,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-W +mp-1211241,LiNd6B3O14,-8.4870974184,-3.4950297213,0.0,-0.0068727979,GGA,P2_1/c,A3BC6D14_mP96_14_3e_e_6e_14e:B-Li-Nd-O,96.0,A3BC6D14_mP96_14_3e_e_6e_14e:B-Li-Nd-O +mp-1195542,Rb2LiNd(BO3)2,-7.1574268985,-2.8510057108,0.0,-0.0490477763,GGA,Pbcm,A2BCD6E2_oP48_57_cd_d_d_c3de_e:B-Li-Nd-O-Rb,48.0,A2BCD6E2_oP48_57_cd_d_d_c3de_e:B-Li-Nd-O-Rb +mp-1198049,Li6Nd(BO3)3,-7.0518794482,-2.8002974299,0.0,-0.004750923,GGA,P2_1/c,A3B6CD9_mP76_14_3e_6e_e_9e:B-Li-Nd-O,76.0,A3B6CD9_mP76_14_3e_6e_e_9e:B-Li-Nd-O +mp-1104249,LiNdBO4,-7.5354093007,-2.8006640271,0.1613425367,0.1613425367,GGA,P2_1,ABCD4_mP14_4_a_a_a_4a:B-Li-Nd-O,14.0,ABCD4_mP14_4_a_a_a_4a:B-Li-Nd-O +mp-15362,Li3Nd2(BO3)3,-7.7848413628,-3.0894627052,0.0046647404,0.0046647404,GGA,P2_1/c,A3B3C2D9_mP68_14_3e_3e_2e_9e:B-Li-Nd-O,68.0,"Invalid WP multiplicities - A3B3C2D9_mP68_14_4e_4e_2e_14e:B-Li-Nd-O, expected Li2NdB2O7 to be Li3Nd2(BO3)3" +mp-1204337,CaH12(ClO7)2,-5.1843293361,-1.1957421741,0.0074203749,0.0074203749,GGA,Pca2_1,AB2C12D14_oP232_29_2a_4a_24a_28a:Ca-Cl-H-O,232.0,AB2C12D14_oP232_29_2a_4a_24a_28a:Ca-Cl-H-O +mp-23914,CaH12(ClO3)2,-5.10469361,-1.4810975144,0.0183056379,0.0183056379,GGA,P321,AB2C12D6_hP21_150_a_d_2g_ef:Ca-Cl-H-O,21.0,AB2C12D6_hP21_150_a_d_2g_ef:Ca-Cl-H-O +mp-696166,CaH4(ClO)2,-5.0264325975,-1.7856598417,0.0035421531,0.0035421531,GGA,Pbcn,AB2C4D2_oP36_60_c_d_2d_d:Ca-Cl-H-O,36.0,AB2C4D2_oP36_60_c_d_2d_d:Ca-Cl-H-O +mp-735491,CaMg2H24(ClO2)6,-3.8603860829,-0.3696512039,1.1601241064,1.1601241064,GGA,P-1,AB6C24D2E12_aP45_2_a_3i_12i_i_6i:Ca-Cl-H-Mg-O,45.0,"Invalid WP multiplicities - AB6C24D2E12_aP45_2_a_6i_24i_i_12i:Ca-Cl-H-Mg-O, expected CaMg2H48(ClO2)12 to be CaMg2H24(ClO2)6" +mp-696387,CaMg2H24(ClO2)6,-5.0090609922,-1.5183261132,0.011449197,0.011449197,GGA,R-3,AB6C24D2E12_hR135_148_a_f_4f_c_2f:Ca-Cl-H-Mg-O,45.0,AB6C24D2E12_hR135_148_a_f_4f_c_2f:Ca-Cl-H-Mg-O +mp-1204240,CaH8(ClO6)2,-5.1914841693,-1.1825821652,0.0,-0.0212487891,GGA,P-1,AB2C8D12_aP46_2_i_2i_8i_12i:Ca-Cl-H-O,46.0,AB2C8D12_aP46_2_i_2i_8i_12i:Ca-Cl-H-O +mp-721047,CaH8(ClO2)2,-5.077229095,-1.5684800013,0.0178628037,0.0178628037,GGA,P-1,AB2C8D4_aP30_2_i_2i_8i_4i:Ca-Cl-H-O,30.0,AB2C8D4_aP30_2_i_2i_8i_4i:Ca-Cl-H-O +mp-720571,CaH8(ClO2)2,-5.0768024001,-1.5680533064,0.0182894986,0.0182894986,GGA,P2_1/c,AB2C8D4_mP90_14_ae_3e_12e_6e:Ca-Cl-H-O,90.0,AB2C8D4_mP90_14_ae_3e_12e_6e:Ca-Cl-H-O +mp-24384,CaH8(ClO2)2,-5.0918599907,-1.583110897,0.003231908,0.003231908,GGA,P2_1/c,AB2C8D4_mP30_14_a_e_4e_2e:Ca-Cl-H-O,30.0,AB2C8D4_mP30_14_a_e_4e_2e:Ca-Cl-H-O +mp-642725,CaHClO,-5.5037855475,-2.4553977234,0.0,-0.0502178763,GGA,P6_3mc,ABCD_hP8_186_b_b_a_a:Ca-Cl-H-O,8.0,ABCD_hP8_186_b_b_a_a:Ca-Cl-H-O +mp-1521485,KPrMnBiO6,-6.931425473,-2.0740313338,0.2016478413,0.2016478413,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mn-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mn-O-Pr +mp-1233269,MgCuP4(RuO7)2,-7.3673508782,-2.1330261607,0.1463276426,0.1463276426,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru +mp-1233299,MgCuP4(RuO7)2,-7.3496184036,-2.1152936862,0.1640601172,0.1640601172,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru +mp-1233490,MgCuP4(RuO7)2,-7.3409712877,-2.1066465703,0.1727072331,0.1727072331,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru +mp-1233546,MgCuP4(RuO7)2,-7.3610820791,-2.1267573616,0.1525964417,0.1525964417,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru +mp-1233726,MgCuP4(RuO7)2,-7.3242295659,-2.0899048484,0.1894489549,0.1894489549,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Mg-O-P-Ru +mp-1213434,CuP4(RuO7)2,-7.5091514924,-2.1017770288,0.0107278871,0.0107278871,GGA,P-1,AB14C4D2_aP21_2_a_7i_2i_be:Cu-O-P-Ru,21.0,AB14C4D2_aP21_2_a_7i_2i_be:Cu-O-P-Ru +mp-1521471,NaHfCuWO6,-8.151712745,-2.3499943959,0.180073091,0.180073091,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Cu-Hf-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Cu-Hf-Na-O-W +mp-1190452,Sm2CoTe2(SO7)2,-7.1115299924,-2.3325469665,0.0,-0.02800164,GGA+U,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Sm-Te,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Sm-Te +mp-1195741,Co2TeSO8,-6.5082536654,-1.4190952454,0.179481795,0.179481795,GGA+U,Pbcm,A2B8CD_oP48_57_e_c3d2e_d_d:Co-O-S-Te,48.0,A2B8CD_oP48_57_e_c3d2e_d_d:Co-O-S-Te +mp-1208075,YCo5Si3,-7.0663471548,-0.5903455794,0.0002776288,0.0002776288,GGA,P6_3/m,A5B3C_hP54_176_5h_3h_h:Co-Si-Y,54.0,A5B3C_hP54_176_5h_3h_h:Co-Si-Y +mp-1207632,YCoSi,-7.0284182083,-0.6950492289,0.0,-0.0077362996,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Si-Y,12.0,ABC_oP12_62_c_c_c:Co-Si-Y +mp-5129,Y(CoSi)2,-7.109728732,-0.8029801793,0.0,-0.1287635343,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-Si-Y,5.0,A2B2C_tI10_139_d_e_a:Co-Si-Y +mp-1188435,Y2Co3Si5,-6.87564963,-0.7372010538,0.0,-0.0200253458,GGA,C2/c,A3B5C2_mC40_15_ef_3ef_f:Co-Si-Y,20.0,A3B5C2_mC40_15_ef_3ef_f:Co-Si-Y +mp-20618,Y2Co3Si5,-6.8720498075,-0.7336012313,0.0035998225,-0.0164255233,GGA,Ibam,A3B5C2_oI40_72_aj_bfj_j:Co-Si-Y,20.0,"Invalid WP multiplicities - A3B5C2_oI40_72_2a2j_b2fj_j:Co-Si-Y, expected Y2Co6Si7 to be Y2Co3Si5" +mp-1216065,Y2Co3Si,-7.012606775,-0.3987378347,0.0457967967,0.0457967967,GGA,R-3m,A3BC2_hR18_166_d_a_c:Co-Si-Y,6.0,A3BC2_hR18_166_d_a_c:Co-Si-Y +mp-1206296,Y2CoSi2,-6.924430872,-0.7460516557,0.0144764138,0.0144764138,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Si-Y,10.0,AB2C2_mC20_12_i_2i_2i:Co-Si-Y +mp-1044612,Y4Co13Si2(SbO14)2,-7.7166584167,-2.0862515138,0.1259724427,0.1259724427,GGA+U,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Co-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Co-O-Sb-Si-Y, expected Y4Co37Si2(SbO46)2 to be Y4Co13Si2(SbO14)2" +mp-1191660,YCo9Si2,-7.0785009313,-0.3041703206,0.0304047542,0.0304047542,GGA,I4_1/amd,A9B2C_tI48_141_ai_c_b:Co-Si-Y,24.0,A9B2C_tI48_141_ai_c_b:Co-Si-Y +mp-1207782,Y3Co2Si3,-6.95954114,-0.7230407625,0.0164423169,0.0164423169,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Si-Y,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Si-Y +mp-1078782,YCoSi2,-6.8577272225,-0.7513709804,0.0,-0.0009315308,GGA,Cmcm,AB2C_oC16_63_c_2c_c:Co-Si-Y,8.0,AB2C_oC16_63_c_2c_c:Co-Si-Y +mp-1157336,Y2Co3(SiO4)3,-8.2081889964,-2.7134832845,0.1867800404,0.1867800404,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Co-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Co-O-Si-Y +mp-1215960,YCo4Si,-7.064419585,-0.3435761978,0.0539181216,0.0539181216,GGA,P-6m2,A4BC_hP6_187_ak_c_e:Co-Si-Y,6.0,A4BC_hP6_187_ak_c_e:Co-Si-Y +mp-1193464,YCo9Si4,-7.0505749461,-0.4689604183,0.0036336425,0.0036336425,GGA,I4/mcm,A9B4C_tI56_140_dkl_l_a:Co-Si-Y,28.0,A9B4C_tI56_140_dkl_l_a:Co-Si-Y +mp-571068,K3(Mg10In7)2,-2.0888479349,-0.092621717,0.009351824,0.009351824,GGA,Pm-3m,A14B3C20_cP37_221_abj_c_gi:In-K-Mg,37.0,"Invalid WP multiplicities - A14B3C20_cP37_221_ab2j_c_6g7i:In-K-Mg, expected K3(Mg66In13)2 to be K3(Mg10In7)2" +mp-698655,KMgIn(MoO4)3,-7.6124430317,-2.2035776099,0.0,-0.0150556717,GGA+U,C2,ABCD3E12_mC72_5_c_c_c_ab2c_12c:In-K-Mg-Mo-O,36.0,"Invalid WP multiplicities - ABCD3E12_mC72_5_c_c_c_ab3c_23c:In-K-Mg-Mo-O, expected KMgInMo4O23 to be KMgIn(MoO4)3" +mp-726052,KMgIn(MoO4)3,-7.6106374025,-2.2017719807,0.0018056292,-0.0132500425,GGA+U,R3c,ABCD3E12_hR108_161_a_a_a_b_4b:In-K-Mg-Mo-O,36.0,"Invalid WP multiplicities - ABCD3E12_hR108_161_a_a_a_b_22b:In-K-Mg-Mo-O, expected KMgIn(MoO22)3 to be KMgIn(MoO4)3" +mp-1203773,K5In(MoO4)4,-7.1834197894,-2.1513698554,0.0,-0.0027698352,GGA+U,Cc,AB5C4D16_mC104_9_a_5a_4a_16a:In-K-Mo-O,52.0,AB5C4D16_mC104_9_a_5a_4a_16a:In-K-Mo-O +mp-555710,K5In(MoO4)4,-7.1832054406,-2.1511555065,0.0002143488,-0.0025554863,GGA+U,C2/c,AB5C4D16_mC104_15_e_e2f_2f_8f:In-K-Mo-O,52.0,"Invalid WP multiplicities - AB5C4D16_mC104_15_e_e4f_5f_25f:In-K-Mo-O, expected K9In(MoO5)10 to be K5In(MoO4)4" +mp-650228,KIn(MoO4)2,-7.4912020846,-2.0639610357,0.0,-0.0011968759,GGA+U,Pnma,ABC2D8_oP48_62_c_c_2c_4c2d:In-K-Mo-O,48.0,"Invalid WP multiplicities - ABC2D8_oP48_62_c_c_3c_15c14d:In-K-Mo-O, expected KInMo3O43 to be KIn(MoO4)2" +mp-1202845,LiCu2Si12(H3C)27,-5.0471521199,-0.1756404897,0.0636476547,0.0636476547,GGA,P-1,A27B2C81DE12_aP246_2_27i_2i_81i_i_12i:C-Cu-H-Li-Si,246.0,A27B2C81DE12_aP246_2_27i_2i_81i_i_12i:C-Cu-H-Li-Si +mp-1045838,YCu3(MoO3)4,-7.9620378225,-1.8866900176,0.1046974004,0.1046974004,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mo-O-Y,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Mo-O-Y +mp-559028,YCu(MoO4)2,-8.2566543299,-2.2707803555,0.0330031133,0.0330031133,GGA+U,Pbca,AB2C8D_oP96_61_c_2c_8c_c:Cu-Mo-O-Y,96.0,"Invalid WP multiplicities - AB2C8D_oP96_61_c_10c_60c_c:Cu-Mo-O-Y, expected YCu(MoO6)10 to be YCu(MoO4)2" +mp-1228425,Ba8Y4(Cu4O9)3,-6.5876662224,-2.196121924,0.0264299104,0.0264299104,GGA,C2/m,A8B12C27D4_mC102_12_4i_eg2j_a5i4j_cdi:Ba-Cu-O-Y,51.0,"Invalid WP multiplicities - A8B12C27D4_mC102_12_8i_eh3j_c10i7j_abi:Ba-Cu-O-Y, expected Ba16Y4Cu16O49 to be Ba8Y4(Cu4O9)3" +mp-1228052,Ba3Y2MoO9,-8.1031738483,-3.1661261445,0.0,-0.0206428957,GGA+U,Immm,A3BC9D2_oI60_71_fn_g_e3ln_abh:Ba-Mo-O-Y,30.0,"Invalid WP multiplicities - A3BC9D2_oI60_71_2f2n_g_2e12l2n_abh:Ba-Mo-O-Y, expected Ba6Y2MoO30 to be Ba3Y2MoO9" +mp-1048190,Ba2YMo3O8,-8.3264056864,-2.4396284712,0.1927885266,0.1927885266,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Mo-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Mo-O-Y, expected Ba2YMo5O16 to be Ba2YMo3O8" +mp-6790,Ba2Y(CuO2)4,-6.471987648,-2.0536704904,0.0,-0.0143198009,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Y,15.0,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Y +mp-20509,Ba2Y(CuO2)4,-6.1274891253,-1.7091719678,0.3444985227,0.3301787218,GGA,Cmmm,A2B4C8D_oC30_65_h_2g_3gh_a:Ba-Cu-O-Y,15.0,"Invalid WP multiplicities - A2B4C8D_oC30_65_h_4g_6gh_a:Ba-Cu-O-Y, expected Ba2Y(Cu4O7)2 to be Ba2Y(CuO2)4" +mp-6789,Ba2Y(CuO2)4,-6.1866293253,-1.7683121678,0.2853583227,0.2710385218,GGA,Cmmm,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Y,15.0,A2B4C8D_oC30_65_g_2h_g3h_a:Ba-Cu-O-Y +mp-20674,Ba2YCu3O7,-6.5830618077,-2.1808416552,0.0313759127,0.0313759127,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Y,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-O-Y +mp-643409,Ba4Y(CuO3)3,-6.5568223735,-2.3826935921,0.0,-0.0093285196,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Y,34.0,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Y +mp-643471,Ba2Y(Cu2O3)2,-6.1648622385,-1.8278330122,0.2522561353,0.2522561353,GGA,Cmmm,A2B4C6D_oC26_65_g_2h_g2h_a:Ba-Cu-O-Y,13.0,A2B4C6D_oC26_65_g_2h_g2h_a:Ba-Cu-O-Y +mp-772817,Ba4Y2Cu5O14,-6.62024124,-2.2059005482,0.0690196113,0.0690196113,GGA,Cm,A4B5C14D2_mC50_8_2b_5a_8a3b_b:Ba-Cu-O-Y,25.0,"Invalid WP multiplicities - A4B5C14D2_mC50_8_4b_5a_8a6b_b:Ba-Cu-O-Y, expected Ba8Y2(CuO4)5 to be Ba4Y2Cu5O14" +mp-1205669,Ba2YMoO6,-8.109713984,-3.0266936469,0.0,-0.0227091707,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-Y +mp-1228290,Ba6YCu3O11,-6.4608142224,-2.4278848611,0.0389202095,0.0389202095,GGA,Cm,A6B3C11D_mC42_8_6a_3a_11a_a:Ba-Cu-O-Y,,A6B3C11D_mC42_8_6a_3a_11a_a:Ba-Cu-O-Y +mp-1021507,Ba2Y(CuO2)3,-6.4879588633,-2.1311110908,0.112728407,0.112728407,GGA,Pmm2,A2B3C6D_oP12_25_2a_3d_2b2c2d_a:Ba-Cu-O-Y,12.0,A2B3C6D_oP12_25_2a_3d_2b2c2d_a:Ba-Cu-O-Y +mp-1228465,Ba2Y(CuO2)3,-6.3761372792,-2.0192895066,0.2245499912,0.2245499912,GGA,P-4m2,A2B3C6D_tP12_115_f_ae_e2g_c:Ba-Cu-O-Y,12.0,A2B3C6D_tP12_115_f_ae_e2g_c:Ba-Cu-O-Y +mp-22215,Ba2Y(CuO2)3,-6.59045641,-2.2336086374,0.0102308604,0.0102308604,GGA,P4/mmm,A2B3C6D_tP12_123_h_ag_gi_d:Ba-Cu-O-Y,12.0,"Invalid WP multiplicities - A2B3C6D_tP12_123_h_ag_2g2i_d:Ba-Cu-O-Y, expected Ba2Y(CuO4)3 to be Ba2Y(CuO2)3" +mp-1048115,BaYCu4O7,-6.3055364581,-1.7356061725,0.1511137027,0.1511137027,GGA,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Cu-O-Y,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Cu-O-Y +mp-1229106,Ba10Y5(Cu5O11)3,-6.5822936413,-2.197358205,0.0292484224,0.0292484224,GGA,P-1,A10B15C33D5_aP63_2_5i_a7i_f16i_c2i:Ba-Cu-O-Y,63.0,"Invalid WP multiplicities - A10B15C33D5_aP63_2_10i_a13i_f32i_c3i:Ba-Cu-O-Y, expected Ba20Y7Cu27O65 to be Ba10Y5(Cu5O11)3" +mp-1228773,Ba3Y3Cu3O10,-7.2196605989,-2.6448792683,0.1259947266,0.1259947266,GGA,P1,A3B3C10D3_aP38_1_6a_6a_20a_6a:Ba-Cu-O-Y,38.0,A3B3C10D3_aP38_1_6a_6a_20a_6a:Ba-Cu-O-Y +mp-1337388,Ba3Y5(CuO5)3,-7.5901942843,-2.7983777049,0.1116075314,0.1116075314,GGA,P2_1/c,A3B3C15D5_mP104_14_3e_3e_15e_5e:Ba-Cu-O-Y,104.0,"Invalid WP multiplicities - A3B3C15D5_mP104_14_10e_10e_58e_16e:Ba-Cu-O-Y, expected Ba5Y8Cu5O29 to be Ba3Y5(CuO5)3" +mp-1214594,Ba2YCuO5,-6.8691700067,-2.5206065378,0.1789616835,0.1789616835,GGA,P4/mmm,A2BC5D_tP18_123_i_ad_gjk_bc:Ba-Cu-O-Y,18.0,A2BC5D_tP18_123_i_ad_gjk_bc:Ba-Cu-O-Y +mp-1214357,BaY2(MoO4)4,-8.599485178,-2.6263748743,0.0424195375,0.0424195375,GGA+U,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Y,46.0,AB4C16D2_mC92_15_e_2f_8f_f:Ba-Mo-O-Y +mp-1228278,Ba6Y3Cu9O20,-6.5812227121,-2.1933306796,0.0314619614,0.0314619614,GGA,P-1,A6B9C20D3_aP38_2_3i_b4i_10i_ci:Ba-Cu-O-Y,38.0,"Invalid WP multiplicities - A6B9C20D3_aP38_2_6i_b6i_18i_ci:Ba-Cu-O-Y, expected Ba12Y3Cu13O36 to be Ba6Y3Cu9O20" +mp-1228264,Ba4Y2Cu7O15,-6.5276343014,-2.1167907534,0.0104908802,0.0104908802,GGA,Cmmm,A4B7C15D2_oC56_65_2h_a3g_b5g2h_h:Ba-Cu-O-Y,28.0,A4B7C15D2_oC56_65_2h_a3g_b5g2h_h:Ba-Cu-O-Y +mp-1228315,Ba4Y2Cu7O15,-6.5237787082,-2.1129351602,0.0143464734,0.0143464734,GGA,Cmmm,A4B7C15D2_oC56_65_2g_c3h_b2g5h_g:Ba-Cu-O-Y,28.0,A4B7C15D2_oC56_65_2g_c3h_b2g5h_g:Ba-Cu-O-Y +mp-1042500,BaYCuMoO5,-7.7535174556,-2.41310119,0.2774416976,0.2774416976,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Mo-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Mo-O-Y +mp-20897,Ba4Y2Cu6O13,-6.5874307464,-2.2069893363,0.0223745504,0.0223745504,GGA,Pmmm,A4B6C13D2_oP25_47_x_acij_eijklw_t:Ba-Cu-O-Y,25.0,A4B6C13D2_oP25_47_x_acij_eijklw_t:Ba-Cu-O-Y +mp-1228151,Ba4Y2Cu6O13,-6.5864245868,-2.2059831767,0.02338071,0.02338071,GGA,Fmmm,A4B6C13D2_oF100_69_m_gn_a2ijn_c:Ba-Cu-O-Y,25.0,"Invalid WP multiplicities - A4B6C13D2_oF100_69_m_gn_a4i2jn_c:Ba-Cu-O-Y, expected Ba4Y2(Cu2O7)3 to be Ba4Y2Cu6O13" +mp-1228903,Ba10Y5Cu15O34,-6.5854909119,-2.1917780806,0.0286746058,0.0286746058,GGA,P-1,A10B15C34D5_aP64_2_5i_b7i_17i_c2i:Ba-Cu-O-Y,64.0,"Invalid WP multiplicities - A10B15C34D5_aP64_2_9i_b13i_33i_c4i:Ba-Cu-O-Y, expected Ba6Y3Cu9O22 to be Ba10Y5Cu15O34" +mp-1229263,Ba10Y5Cu15O34,-6.4563772538,-2.0626644225,0.157788264,0.157788264,GGA,P-1,A10B15C34D5_aP64_2_5i_c7i_ae16i_b2i:Ba-Cu-O-Y,64.0,"Invalid WP multiplicities - A10B15C34D5_aP64_2_10i_c14i_ae29i_b3i:Ba-Cu-O-Y, expected Ba20Y7Cu29O60 to be Ba10Y5Cu15O34" +mp-774710,Ba14Y7(Cu10O21)2,-6.6099651882,-2.250013306,0.0194738371,0.0194738371,GGA,P1,A14B20C42D7_aP83_1_14a_20a_42a_7a:Ba-Cu-O-Y,83.0,A14B20C42D7_aP83_1_14a_20a_42a_7a:Ba-Cu-O-Y +mp-542733,BaY2CuO5,-7.9115792689,-3.0577384475,0.0343526815,0.0343526815,GGA,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Y,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Cu-O-Y +mp-1229067,Ba10Y5Cu15O32,-6.5858824769,-2.2100075773,0.0221580405,0.0221580405,GGA,P-1,A10B15C32D5_aP62_2_5i_a7i_16i_c2i:Ba-Cu-O-Y,62.0,"Invalid WP multiplicities - A10B15C32D5_aP62_2_10i_a13i_31i_c4i:Ba-Cu-O-Y, expected Ba20Y9Cu27O62 to be Ba10Y5Cu15O32" +mp-1229243,Ba5Y2CuMo2O15,-7.7078781534,-2.807131974,0.0486559376,0.0486559376,GGA+U,Immm,A5BC2D15E2_oI100_71_f2n_g_2h_e5l2n_abg:Ba-Cu-Mo-O-Y,,"Invalid WP multiplicities - A5BC2D15E2_oI100_71_2f7n_g_3h_2e18l8n_abg:Ba-Cu-Mo-O-Y, expected Ba16Y2Cu(MoO18)3 to be Ba5Y2CuMo2O15" +mp-1214613,Ba2YCu3O8,-6.49420578,-2.0530950162,0.0648453273,0.0648453273,GGA,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Cu-O-Y,14.0,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Cu-O-Y +mp-1042162,BaYCu2O5,-6.8333293278,-2.2425178889,0.0601161187,0.0601161187,GGA,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Cu-O-Y,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Cu-O-Y +mp-1227107,CaGaBiB2O7,-7.3967837408,-2.6584679448,0.0,-0.0021000156,GGA,Cmm2,A2BCDE7_oC48_35_de_d_e_c_abde2f:B-Bi-Ca-Ga-O,24.0,"Invalid WP multiplicities - A2BCDE7_oC48_35_2d2e_d_e_c_ab2d2e7f:B-Bi-Ca-Ga-O, expected CaGaBiB4O19 to be CaGaBiB2O7" +mp-698605,CaGaBiB2O7,-6.489543714,-1.7512279179,0.9072400269,0.9051400112,GGA,P-42_1m,A2BCDE7_tP48_113_2e_e_e_ab_2c2e2f:B-Bi-Ca-Ga-O,48.0,"Invalid WP multiplicities - A2BCDE7_tP48_113_2e_e_e_ab_2c4e4f:B-Bi-Ca-Ga-O, expected CaGaBiB2O13 to be CaGaBiB2O7" +mp-695449,Ca2Ga2Bi(B2O7)2,-6.8166850928,-2.0393333547,0.5528008895000001,0.5528008895000001,GGA,C2,A4BC2D2E14_mC92_5_4c_c_2c_2ac_2b13c:B-Bi-Ca-Ga-O,46.0,"Invalid WP multiplicities - A4BC2D2E14_mC92_5_4c_c_2c_2ac_2b20c:B-Bi-Ca-Ga-O, expected Ca2Ga2BiB4O21 to be Ca2Ga2Bi(B2O7)2" +mp-631550,CaBiB,-3.24666972,0.9284905403,1.5357156010000002,1.5357156010000002,GGA,F-43m,ABC_cF12_216_a_b_c:B-Bi-Ca,3.0,ABC_cF12_216_a_b_c:B-Bi-Ca +mp-557371,CaBi2B2O7,-7.3260983269,-2.5200831052,0.009068812,0.009068812,GGA,Pnma,A2B2CD7_oP48_62_d_d_c_c3d:B-Bi-Ca-O,48.0,"Invalid WP multiplicities - A2B2CD7_oP48_62_d_d_c_3c16d:B-Bi-Ca-O, expected CaBi2B2O35 to be CaBi2B2O7" +mp-557855,CaGaBO4,-7.4100802654,-2.9101027627,0.0,-0.0108572553,GGA,Ccc2,ABCD4_oC56_37_d_d_d_4d:B-Ca-Ga-O,28.0,"Invalid WP multiplicities - ABCD4_oC56_37_d_d_d_13d:B-Ca-Ga-O, expected CaGaBO13 to be CaGaBO4" +mp-767438,YFeGe2O7,-7.8193442486,-2.4730379748,0.0034529848,0.0034529848,GGA+U,C2/m,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Y,22.0,AB2C7D_mC44_12_g_2i_3i2j_h:Fe-Ge-O-Y +mp-1212190,HoFeGe2O7,-7.4507836659,-2.2757557778,0.2138403087,0.2138403087,GGA+U,C2/m,AB2CD7_mC44_12_g_2i_h_3i2j:Fe-Ge-Ho-O,22.0,AB2CD7_mC44_12_g_2i_h_3i2j:Fe-Ge-Ho-O +mp-1216291,Y3HoFe4(Ge2O7)4,-7.7784566775,-2.4749700001,0.0047972412,0.0047972412,GGA+U,P1,A4B8CD28E3_aP44_1_4a_8a_a_28a_3a:Fe-Ge-Ho-O-Y,44.0,A4B8CD28E3_aP44_1_4a_8a_a_28a_3a:Fe-Ge-Ho-O-Y +mp-758033,Y13Ho19O48,-9.1157771177,-4.0086402285,0.0002996159,0.0002996159,GGA,P1,A19B48C13_aP80_1_19a_48a_13a:Ho-O-Y,80.0,A19B48C13_aP80_1_19a_48a_13a:Ho-O-Y +mp-768889,YHoO3,-9.0916350033,-3.9138457799,0.0892114764,0.0892114764,GGA,P6_3cm,AB3C_hP30_185_c_ab2c_ab:Ho-O-Y,30.0,"Invalid WP multiplicities - AB3C_hP30_185_c_a3b11c_a2b:Ho-O-Y, expected Y5Ho3O40 to be YHoO3" +mp-765476,Y13Ho3O24,-9.395536325,-3.9822393212,0.0012093085,0.0012093085,GGA,P1,A3B24C13_aP40_1_3a_24a_13a:Ho-O-Y,40.0,A3B24C13_aP40_1_3a_24a_13a:Ho-O-Y +mp-762307,Y7HoO12,-9.4390382845,-3.9786397246,0.0008871797,0.0008871797,GGA,I2_12_12_1,AB12C7_oI80_24_a_6d_a2b2cd:Ho-O-Y,40.0,"Invalid WP multiplicities - AB12C7_oI80_24_a_16d_2a2b4c2d:Ho-O-Y, expected Y12HoO32 to be Y7HoO12" +mp-1195788,K2Mo2Se2O11,-6.8461380065,-1.8274617186,0.0,-0.0227742553,GGA+U,Pnma,A2B2C11D2_oP68_62_ac_d_c5d_d:K-Mo-O-Se,68.0,A2B2C11D2_oP68_62_ac_d_c5d_d:K-Mo-O-Se +mp-1225158,K4Mo6Se2O33,-6.4799607433,-1.1522263683,0.4427305959,0.4427305959,GGA+U,P1,A4B6C33D2_aP45_1_4a_6a_33a_2a:K-Mo-O-Se,45.0,A4B6C33D2_aP45_1_4a_6a_33a_2a:K-Mo-O-Se +mp-1076606,KNaMo2O5,-7.2737113214,-1.8450815418,0.1934029725,0.1934029725,GGA+U,P1,AB2CD5_aP144_1_16a_32a_16a_80a:K-Mo-Na-O,144.0,AB2CD5_aP144_1_16a_32a_16a_80a:K-Mo-Na-O +mp-1195277,Na2Mo2Se2O11,-6.8339660847,-1.7903337561,0.0,-0.0156082323,GGA+U,C2/c,A2B2C11D2_mC68_15_f_ce_e5f_f:Mo-Na-O-Se,34.0,A2B2C11D2_mC68_15_f_ae_e5f_f:Mo-Na-O-Se +mp-558021,K2MoSeO6,-6.5571143933,-1.9328652183,0.0001324312,0.0001324312,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:K-Mo-O-Se,40.0,"Invalid WP multiplicities - A2BC6D_mP40_14_6e_e_20e_e:K-Mo-O-Se, expected K6MoSeO20 to be K2MoSeO6" +mp-1224595,K4Mo6Se25O,-5.0662637889,-0.5701534528000001,0.3735710456,0.3735710456,GGA+U,Cm,A4B6CD25_mC72_8_2b_2a2b_a_9a8b:K-Mo-O-Se,36.0,"Invalid WP multiplicities - A4B6CD25_mC72_8_4b_2a4b_a_9a16b:K-Mo-O-Se, expected K8Mo10Se41O to be K4Mo6Se25O" +mp-17839,K3Na(SeO4)2,-5.4568378018,-1.7983338889,0.0,-0.0021978086,GGA,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:K-Na-O-Se,28.0,A3BC8D2_mC56_15_ef_c_4f_f:K-Na-O-Se +mp-8696,K3Na(SeO4)2,-5.4534581414,-1.7949542286,0.0033796604,0.0011818518,GGA,P-3m1,A3BC8D2_hP14_164_ad_b_di_d:K-Na-O-Se,14.0,A3BC8D2_hP14_164_ad_b_di_d:K-Na-O-Se +mp-1181610,K2MoSe2O11,-5.6675213369,-1.0130309129,0.5377064677,0.5377064677,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:K-Mo-O-Se,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:K-Mo-O-Se +mp-1223849,K5Na3(MoO4)4,-6.8944788414,-2.1784363259,0.0118788,0.0118788,GGA+U,P1,A5B4C3D16_aP28_1_5a_4a_3a_16a:K-Mo-Na-O,28.0,A5B4C3D16_aP28_1_5a_4a_3a_16a:K-Mo-Na-O +mp-1182625,K3NaMo5Se2O23,-6.7808409207,-1.4970869208,0.3802017022,0.3802017022,GGA+U,P2_1/c,A3B5CD23E2_mP136_14_3e_5e_e_23e_2e:K-Mo-Na-O-Se,136.0,A3B5CD23E2_mP136_14_3e_5e_e_23e_2e:K-Mo-Na-O-Se +mp-1076831,KNa(MoO3)2,-7.414644046,-2.0342083732,0.100917579,0.100917579,GGA+U,P4/mmm,AB2CD6_tP10_123_c_g_d_abi:K-Mo-Na-O,10.0,AB2CD6_tP10_123_c_g_d_abi:K-Mo-Na-O +mp-1212291,KNa3Mo2O17,-5.4328863765,-0.6127566748000001,0.7079160509,0.7079160509,GGA+U,P6_3/m,AB2C3D17_hP46_176_a_f_h_fh2i:K-Mo-Na-O,46.0,AB2C3D17_hP46_176_a_f_h_fh2i:K-Mo-Na-O +mp-557923,Na2MoSeO6,-6.566999835,-1.9003253908,0.0,-0.0188098479,GGA+U,P2_13,AB2C6D_cP40_198_a_2a_2b_a:Mo-Na-O-Se,40.0,"Invalid WP multiplicities - AB2C6D_cP40_198_a_5a_17b_a:Mo-Na-O-Se, expected Na5MoSeO51 to be Na2MoSeO6" +mp-557669,K3Na(MoO4)2,-6.9053898571,-2.1969232825,0.000271345,0.000271345,GGA+U,C2/c,A3B2CD8_mC56_15_ef_f_a_4f:K-Mo-Na-O,28.0,"Invalid WP multiplicities - A3B2CD8_mC56_15_e2f_f_c_15f:K-Mo-Na-O, expected K5Na(MoO15)2 to be K3Na(MoO4)2" +mp-1398590,Ca2CoWO6,-7.871867082,-2.4960890768,0.1199046293,0.1199046293,GGA+U,Cm,A2BC6D_mC20_8_b_a_4ab_a:Ca-Co-O-W,10.0,A2BC6D_mC20_8_b_a_4ab_a:Ca-Co-O-W +mp-1045281,Ca2CoWO6,-7.971121374,-2.5953433688,0.0206503373,0.0206503373,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Ca-Co-O-W,20.0,A2BC6D_hR30_146_2a_a_2b_a:Ca-Co-O-W +mp-1274308,Sr2CoWO6,-7.9216790485,-2.6091223286,0.0,-0.0266147546,GGA+U,C2/m,AB6C2D_mC20_12_a_ij_i_d:Co-O-Sr-W,20.0,AB6C2D_mC20_12_a_ij_i_d:Co-O-Sr-W +mp-19207,Sr2CoWO6,-7.9202976075,-2.6077408876,0.001381441,-0.0252333136,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-W,20.0,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-W +mp-694931,Sr2CoWO6,-7.920408472,-2.6078517521,0.0012705765,-0.0253441781,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_9e_e_d:Co-O-Sr-W, expected Sr2CoWO18 to be Sr2CoWO6" +mp-550274,Sr2CoWO6,-7.907328312,-2.5947715921,0.0143507365,-0.0122640181,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-W +mp-1374973,Ca3Co2(WO6)2,-7.9179707147,-2.3648149134,0.067012102,0.067012102,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-W,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Co-O-W +mp-1218612,Sr3Co2WO9,-7.4799597163,-2.3623967443,0.0619682307,0.0619682307,GGA+U,Immm,A2B9C3D_oI60_71_abg_e3ln_fn_h:Co-O-Sr-W,30.0,"Invalid WP multiplicities - A2B9C3D_oI60_71_abg_2e12l2n_2f2n_h:Co-O-Sr-W, expected Sr6Co2WO30 to be Sr3Co2WO9" +mp-1372511,CaCoWO6,-7.7472057367,-1.9969634953,0.1815257083,0.1815257083,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Ca-Co-O-W,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_9a_a:Ca-Co-O-W, expected CaCoWO9 to be CaCoWO6" +mp-631696,Ca2CoW,-5.01769987,1.0017120762,1.0298287533,1.0298287533,GGA,F-43m,A2BC_cF16_216_ac_b_d:Ca-Co-W,4.0,A2BC_cF16_216_ac_b_d:Ca-Co-W +mp-2242071,Ba3MgWO6,-7.0871391418,-2.5420966539,0.2909640185,0.2909640185,GGA+U,Cm,A3BC6D_mC22_8_3a_a_2a2b_a:Ba-Mg-O-W,11.0,"Invalid WP multiplicities - A3BC6D_mC22_8_3a_a_2a4b_a:Ba-Mg-O-W, expected Ba3MgWO10 to be Ba3MgWO6" +mp-2217332,Ba3MgWO6,-6.8643526818,-2.3193101939,0.5137504785,0.5137504785,GGA+U,Immm,A3BC6D_oI22_71_af_c_el_b:Ba-Mg-O-W,11.0,"Invalid WP multiplicities - A3BC6D_oI22_71_a2f_c_2e2l_b:Ba-Mg-O-W, expected Ba5MgWO12 to be Ba3MgWO6" +mp-2217786,Ba3MgWO6,-6.9412328682,-2.3961903802,0.4368702921,0.4368702921,GGA+U,R3m,A3BC6D_hR33_160_3a_a_2b_a:Ba-Mg-O-W,11.0,"Invalid WP multiplicities - A3BC6D_hR33_160_3a_a_5b_a:Ba-Mg-O-W, expected Ba3MgWO15 to be Ba3MgWO6" +mp-2217673,Ba3MgWO6,-7.0893397345,-2.5442972466,0.2887634258,0.2887634258,GGA+U,R3m,A3BC6D_hR33_160_3a_a_2b_a:Ba-Mg-O-W,11.0,"Invalid WP multiplicities - A3BC6D_hR33_160_3a_a_5b_a:Ba-Mg-O-W, expected Ba3MgWO15 to be Ba3MgWO6" +mp-18986,Ba2MgWO6,-7.764655895,-2.9570066522,0.0,-0.0497750678,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mg-O-W +mp-1044474,BaMg(WO2)4,-8.309268275,-1.5288907321,0.7417611986,0.7417611986,GGA+U,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-W,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-W +mp-2224765,Ba2Mg(WO4)2,-8.0080422277,-2.5520422215,0.1994736788,0.1994736788,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W +mp-2226861,Ba2Mg(WO4)2,-8.0202150962,-2.5642150900000003,0.1873008104,0.1873008104,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W +mp-2233766,Ba2Mg(WO4)2,-7.9946618677,-2.5386618615,0.2128540388,0.2128540388,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Ba-Mg-O-W +mp-2218391,Ba2Mg(WO4)2,-8.0686445015,-2.6126444954,0.138871405,0.138871405,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_8a_2a:Ba-Mg-O-W,,A2BC8D2_mC26_8_2a_a_8a_2a:Ba-Mg-O-W +mp-2233639,Ba2Mg(WO4)2,-7.9670263215,-2.5110263154,0.240489585,0.240489585,GGA+U,C2/m,A2BC8D2_mC26_12_i_b_ac3i_i:Ba-Mg-O-W,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_bc5i_i:Ba-Mg-O-W, expected Ba2Mg(WO6)2 to be Ba2Mg(WO4)2" +mp-2240534,Ba2SrMgWO6,-7.1179121391,-2.5937316045000003,0.2899331433,0.2899331433,GGA+U,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-Sr-W,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a3b_a_a:Ba-Mg-O-Sr-W, expected Ba2SrMgWO8 to be Ba2SrMgWO6" +mp-2240658,Ba2SrMgWO6,-7.1391269555,-2.6149464208,0.268718327,0.268718327,GGA+U,C2/m,A2BC6DE_mC22_12_i_a_ij_b_c:Ba-Mg-O-Sr-W,11.0,A2BC6DE_mC22_12_i_b_ij_a_c:Ba-Mg-O-Sr-W +mp-1227368,BaSrMgWO6,-7.746261282,-2.9615601879,0.01170623,0.01170623,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mg-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mg-O-Sr-W +mp-1228226,Ba3Co3Te(PO7)2,-7.2993391015,-2.5034507942,0.0,-0.0208052333,GGA+U,P321,A3B3C14D2E_hP23_150_e_f_d2g_d_a:Ba-Co-O-P-Te,46.0,A3B3C14D2E_hP23_150_e_f_d2g_d_a:Ba-Co-O-P-Te +mp-505731,Ba2Co(PO4)2,-7.6504783298,-2.9315258392,0.0006765121,0.0006765121,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Ba-Co-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_2e_e_11e_2e:Ba-Co-O-P, expected Ba2CoP2O11 to be Ba2Co(PO4)2" +mp-19278,BaCoP2O7,-7.7096886445,-2.7568960330000003,0.0,-0.0167159136,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Co-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_2i:Ba-Co-O-P, expected BaCoP2O13 to be BaCoP2O7" +mp-550898,BaCo2(PO4)2,-7.6607739315,-2.5426412213000003,0.0262751254,0.0045783805,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Ba-Co-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_aP13_2_a_i_6i_i:Ba-Co-O-P, expected BaCo2(PO6)2 to be BaCo2(PO4)2" +mp-1194023,BaCo2(PO4)2,-7.6870490569,-2.5689163467,0.0,-0.0216967449,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Ba-Co-O-P,26.0,AB2C8D2_mP26_14_a_e_4e_e:Ba-Co-O-P +mp-1104244,BaCo2(PO4)2,-7.6845139062,-2.5663811959,0.0025351508,-0.0191615941,GGA+U,P-3,AB2C8D2_hP13_147_a_d_dg_d:Ba-Co-O-P,13.0,AB2C8D2_hP13_147_a_d_dg_d:Ba-Co-O-P +mp-19021,BaCo2(PO4)2,-7.6702210173,-2.5520883071,0.0168280396,-0.0048687053,GGA+U,R-3,AB2C8D2_hR39_148_a_c_cf_c:Ba-Co-O-P,26.0,AB2C8D2_hR39_148_a_c_cf_c:Ba-Co-O-P +mp-9398,V4SiSb2,-7.4929352786,-0.3473717371,0.0050352674,0.0050352674,GGA,I4/mcm,A2BC4_tI28_140_h_a_k:Sb-Si-V,14.0,A2BC4_tI28_140_h_a_k:Sb-Si-V +mp-1163942,Al2V3(SiO4)3,-8.4078133164,-2.8888588916,0.0924046258,0.0924046258,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-V,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-V +mp-1044922,Al4V13Si2(SbO14)2,-8.3940573902,-2.4616287232,0.2048318722,0.2048318722,GGA+U,P1,A4B28C2D2E13_aP49_1_4a_28a_2a_2a_13a:Al-O-Sb-Si-V,49.0,A4B28C2D2E13_aP49_1_4a_28a_2a_2a_13a:Al-O-Sb-Si-V +mp-1256235,Al4V13Si2(SbO14)2,-8.3991326602,-2.4667039932,0.1997566022,0.1997566022,GGA+U,P-1,A4B28C2D2E13_aP49_2_2i_14i_i_i_a6i:Al-O-Sb-Si-V,49.0,"Invalid WP multiplicities - A4B28C2D2E13_aP49_2_4i_26i_i_i_a12i:Al-O-Sb-Si-V, expected Al8V25Si2(SbO26)2 to be Al4V13Si2(SbO14)2" +mp-1228831,AlV6Sb,-7.9853367362,-0.18808505,0.0106438388,0.0106438388,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Sb-V,8.0,ABC6_cP8_200_a_b_f:Al-Sb-V +mp-1229062,Al(V4Si)3,-8.4287930006,-0.3645178281,0.0029488441,0.0029488441,GGA,Pmmm,AB3C12_oP16_47_a_bl_2knpw:Al-Si-V,16.0,"Invalid WP multiplicities - AB3C12_oP16_47_a_bl_4k2n2p2w:Al-Si-V, expected Al(V8Si)3 to be Al(V4Si)3" +mp-1094138,NaCo2P2O9,-7.0586591059,-1.9953759417,0.0803897202,0.0803897202,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Co-Na-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Co-Na-O-P, expected NaCo2P2O11 to be NaCo2P2O9" +mp-18012,Na4Co7(PO4)6,-7.2982366129,-2.2677812508,0.0237310582,0.0237310582,GGA+U,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Co-Na-O-P,41.0,"Invalid WP multiplicities - A7B4C24D6_mC82_8_a3b_2ab_4a11b_2a2b:Co-Na-O-P, expected Na4Co7(P3O13)2 to be Na4Co7(PO4)6" +mp-8418,ZrCoP,-8.17403883,-1.1509318528,0.0,-0.1008366247,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-Zr,12.0,ABC_oP12_62_c_c_c:Co-P-Zr +mp-562546,Na4Co3P4O15,-7.0844937259,-2.3741631392,0.0331834806,0.0331834806,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Co-Na-O-P,104.0,A3B4C15D4_oP104_33_3a_4a_15a_4a:Co-Na-O-P +mp-759675,NaCo2P3O10,-7.4439150241,-2.3660428043,0.0093404017,0.0093404017,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Co-Na-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_7e6f_5e:Co-Na-O-P, expected NaCo2P5O19 to be NaCo2P3O10" +mp-29152,Zr2CoP,-8.33778734,-0.9335319496,0.0,-0.01121803,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Co-P-Zr,8.0,ABC2_mP8_11_e_e_2e:Co-P-Zr +mp-1011834,Na2CoP2O7,-7.0468154927,-2.4462492949,0.0265795926,0.0260225481,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Na-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Na-O-P +mp-18212,Na2CoP2O7,-7.0666994944,-2.4661332965,0.0066955909,0.0061385465,GGA+U,P4_2/mnm,AB2C7D2_tP48_136_d_fg_ejk_j:Co-Na-O-P,48.0,AB2C7D2_tP48_136_d_fg_ejk_j:Co-Na-O-P +mp-1368703,Na2CoP2O7,-4.6175147227,-0.0169485249,2.4558803626,2.4553233181,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Na-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Na-O-P +mp-1013577,Na2CoP2O7,-7.0514947021,-2.4509285043,0.0219003832,0.0213433387,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Na-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Na-O-P +mp-1348186,Na2CoP2O7,-4.8770972542,-0.2765310563,2.1962978311,2.1957407867,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Na-O-P,24.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Na-O-P +mp-1011860,Na2CoP2O7,-7.0705193788,-2.4699531809,0.0028757066,0.0023186621,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Co-Na-O-P,48.0,AB2C7D2_mP48_14_e_2e_7e_2e:Co-Na-O-P +mp-1013565,Na2CoP2O7,-7.0494331015,-2.4488669036,0.0239619839,0.0234049394,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Co-Na-O-P,48.0,AB2C7D2_mC48_15_c_f_e3f_f:Co-Na-O-P +mp-562194,Na2CoP2O7,-7.0733950853,-2.4728288875,0.0,-0.0005570445,GGA+U,Pna2_1,AB2C7D2_oP96_33_2a_4a_14a_4a:Co-Na-O-P,96.0,AB2C7D2_oP96_33_2a_4a_14a_4a:Co-Na-O-P +mp-1011858,Na2CoP2O7,-7.0359952731,-2.4354290753,0.0373998122,0.0368427677,GGA+U,Pnma,AB2C7D2_oP48_62_c_2c_3c2d_2c:Co-Na-O-P,48.0,AB2C7D2_oP48_62_c_2c_3c2d_2c:Co-Na-O-P +mp-1013599,Na2CoP2O7,-7.0200666625,-2.4195004647,0.0533284228,0.0527713783,GGA+U,Imma,AB2C7D2_oI48_74_a_f_eij_i:Co-Na-O-P,48.0,AB2C7D2_oI48_74_a_f_eij_i:Co-Na-O-P +mp-1013911,Na2CoP2O7,-7.0675461842,-2.4669799863,0.0058489011,0.0052918567,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Co-Na-O-P,48.0,AB2C7D2_tP24_113_a_e_cef_e:Co-Na-O-P +mp-18133,Zr2Co4P3,-7.8836739172,-1.0204983661,0.0,-0.0205979529,GGA,P-62m,A4B3C2_hP36_189_agjk_2fk_cfg:Co-P-Zr,36.0,"Invalid WP multiplicities - A4B3C2_hP36_189_a2g2jk_3f2k_cfg:Co-P-Zr, expected Zr8Co25P21 to be Zr2Co4P3" +mp-562436,NaCoPO4,-7.1260040848,-2.3215897362,0.0296292255,-0.0093772338,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Na-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_4e_5e_31e_6e:Co-Na-O-P, expected Na5Co4P6O31 to be NaCoPO4" +mp-562796,NaCoPO4,-7.1556333104,-2.3512189618,0.0,-0.0390064594,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Na-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Co-Na-O-P +mp-18245,NaCoPO4,-7.1218042146,-2.3173898661,0.0338290957,-0.0051773637,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Co-Na-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Co-Na-O-P +mp-775862,NaCoPO4,-7.0809013975,-2.2764870489,0.0747319129,0.0357254535,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Na-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c2d_c:Co-Na-O-P, expected NaCoPO11 to be NaCoPO4" +mp-683773,NaCoPO4,-7.1171956384,-2.3127812898,0.038437672,-0.0005687874,GGA+U,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Co-Na-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_19a_17a_93a_20a:Co-Na-O-P, expected Na17Co19P20O93 to be NaCoPO4" +mp-972631,Zr2Co12P7,-7.4684575643,-0.7880607859000001,0.0,-0.0156115397,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Zr,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Zr +mp-1215734,Zr5Co19P12,-7.629853815,-0.8866268335,0.0,-0.0186656294,GGA,P-62m,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Zr,36.0,A19B12C5_hP36_189_afgjk_2fk_cg:Co-P-Zr +mp-1013830,NaCo3P3O13,-7.1571025445,-1.9973855723,0.0844113018,0.0844113018,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Co-Na-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Co-Na-O-P, expected NaCo5P3O34 to be NaCo3P3O13" +mp-1210393,NaCo(PO3)3,-7.3792424093,-2.4370317657,0.023370604,0.023370604,GGA+U,I-43d,ABC9D3_cI224_220_c_c_3e_e:Co-Na-O-P,112.0,ABC9D3_cI224_220_c_c_3e_e:Co-Na-O-P +mp-1207414,Zr9(CoP2)2,-8.4729944723,-0.9530510532,0.0,-0.0079674881,GGA,P4/mbm,A2B4C9_tP30_127_g_i_aghj:Co-P-Zr,30.0,A2B4C9_tP30_127_g_i_aghj:Co-P-Zr +mp-1102006,Zr4CoP,-8.4030891533,-0.6176853497,0.060931447,0.060931447,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Co-P-Zr,12.0,ABC4_tP12_124_a_c_m:Co-P-Zr +mp-19187,Na2ZrCo(P2O7)2,-7.6980209532,-2.7340245443,0.0279298464,0.0279298464,GGA+U,P1,AB2C14D4E_aP22_1_a_2a_14a_4a_a:Co-Na-O-P-Zr,22.0,AB2C14D4E_aP22_1_a_2a_14a_4a_a:Co-Na-O-P-Zr +mp-557599,Rb2Bi(ClO4)5,-4.8792269884,-0.8085836027000001,0.0,-0.034756493,GGA,P-1,AB5C20D2_aP56_2_i_5i_20i_2i:Bi-Cl-O-Rb,56.0,"Invalid WP multiplicities - AB5C20D2_aP56_2_i_7i_40i_4i:Bi-Cl-O-Rb, expected Rb4BiCl7O40 to be Rb2Bi(ClO4)5" +mp-729342,Rb3Bi2S2(ClO2)5,-5.140390517,-1.612888216,0.1871527657,0.1871527657,GGA,P2_1,A2B5C10D3E2_mP44_4_2a_5a_10a_3a_2a:Bi-Cl-O-Rb-S,44.0,A2B5C10D3E2_mP44_4_2a_5a_10a_3a_2a:Bi-Cl-O-Rb-S +mp-2219061,MgNb4(NO)4,-9.2056528746,-1.8873271242,0.1641106894,0.1641106894,GGA,P1,AB4C4D4_aP13_1_a_4a_4a_4a:Mg-N-Nb-O,13.0,AB4C4D4_aP13_1_a_4a_4a_4a:Mg-N-Nb-O +mp-2219009,MgNb4(NO)4,-9.1087282138,-1.7904024635,0.2610353502,0.2610353502,GGA,P-1,AB4C4D4_aP13_2_a_2i_2i_2i:Mg-N-Nb-O,13.0,"Invalid WP multiplicities - AB4C4D4_aP13_2_a_3i_3i_3i:Mg-N-Nb-O, expected MgNb6(NO)6 to be MgNb4(NO)4" +mp-2218869,MgNb4(NO)4,-9.1918098185,-1.8734840681,0.1779537456,0.1779537456,GGA,P-1,AB4C4D4_aP13_2_a_2i_2i_2i:Mg-N-Nb-O,13.0,"Invalid WP multiplicities - AB4C4D4_aP13_2_a_4i_4i_4i:Mg-N-Nb-O, expected MgNb8(NO)8 to be MgNb4(NO)4" +mp-2218850,MgNb4(NO)4,-9.2166738492,-1.8983480988,0.1530897148,0.1530897148,GGA,Cm,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-N-Nb-O,13.0,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-N-Nb-O +mp-2218849,MgNb4(NO)4,-9.2700986477,-1.9517728973,0.0996649164,0.0996649164,GGA,Cm,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-N-Nb-O,13.0,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-N-Nb-O +mp-2219268,MgNb4(NO)4,-9.1817676654,-1.863441915,0.1879958987,0.1879958987,GGA,C2/m,AB4C4D4_mC26_12_a_2i_2i_2i:Mg-N-Nb-O,13.0,"Invalid WP multiplicities - AB4C4D4_mC26_12_a_3i_3i_3i:Mg-N-Nb-O, expected MgNb6(NO)6 to be MgNb4(NO)4" +mp-1234450,Ba2MgNb6(NO7)2,-8.856060128,-2.7771524489,0.1230247442,0.1230247442,GGA,P1,A2BC2D6E14_aP25_1_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_aP25_1_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1234461,Ba2MgNb6(NO7)2,-8.8439758108,-2.7650681317,0.1351090614,0.1351090614,GGA,Pm,A2BC2D6E14_mP25_6_2a_b_ab_3a3b_7a7b:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mP25_6_2a_b_ab_3a3b_7a7b:Ba-Mg-N-Nb-O +mp-1233264,Ba2MgNb6(NO7)2,-8.8460437404,-2.7671360613,0.1330411318,0.1330411318,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1233403,Ba2MgNb6(NO7)2,-8.815663364,-2.7367556849,0.1634215082,0.1634215082,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1233478,Ba2MgNb6(NO7)2,-8.8714394152,-2.7925317361,0.107645457,0.107645457,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1233525,Ba2MgNb6(NO7)2,-8.864432556,-2.7855248769000003,0.1146523162,0.1146523162,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1233542,Ba2MgNb6(NO7)2,-8.8485341168,-2.7696264377,0.1305507554,0.1305507554,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1233886,Ba2MgNb6(NO7)2,-8.8089466284,-2.7300389493,0.1701382438,0.1701382438,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1234041,Ba2MgNb6(NO7)2,-8.8284256016,-2.7495179225,0.1506592706,0.1506592706,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-2216440,Ba2MgNb6(NO7)2,-8.8395200976,-2.7606124185,0.1395647746,0.1395647746,GGA,Cm,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O,25.0,A2BC2D6E14_mC50_8_2a_a_2a_6a_14a:Ba-Mg-N-Nb-O +mp-1247557,Mg2NbN3,-7.5219852375,-1.1367602517,0.0297184625,-0.196546364,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Mg-N-Nb,12.0,A2B3C_mC24_12_adg_ij_h:Mg-N-Nb +mp-1246788,Mg2NbN3,-7.5517037,-1.1664787142,0.0,-0.2262648265,GGA,C2/c,A2B3C_mC24_15_f_ef_e:Mg-N-Nb,12.0,A2B3C_mC24_15_f_ef_e:Mg-N-Nb +mp-1029408,Mg2NbN3,-7.5204466208,-1.135221635,0.0312570792,-0.1950077473,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-Nb,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-Nb +mp-1227828,BaNbNO2,-8.49984744,-2.4498169745,0.0567355756,0.0567355756,GGA,P4/mmm,ABCD2_tP5_123_c_a_b_e:Ba-N-Nb-O,5.0,ABCD2_tP5_123_c_a_b_e:Ba-N-Nb-O +mp-2226113,MgNb2(NO)2,-8.6785588714,-1.7686649568,0.3418504035,0.3418504035,GGA,Cm,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-N-Nb-O,7.0,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-N-Nb-O +mp-776448,BaNb3NO7,-9.0927824133,-2.8272652497,0.071968064,0.071968064,GGA,Cm,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O,24.0,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O +mp-776461,BaNb3NO7,-9.1093698658,-2.8438527022,0.0553806115,0.0553806115,GGA,Cm,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O,24.0,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O +mp-755621,BaNb3NO7,-9.0968266213,-2.8313094576,0.067923856,0.067923856,GGA,Cm,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O,24.0,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O +mp-755370,BaNb3NO7,-9.1058086992,-2.8402915355,0.0589417781,0.0589417781,GGA,Cm,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O,24.0,ABC3D7_mC48_8_2a_2a_6a_14a:Ba-N-Nb-O +mp-1095296,Dy4Te3S4,-6.0347286709,-1.9981046248,0.0,-0.0047078027,GGA,C2/m,A4B4C3_mC22_12_j_gh_ai:Dy-S-Te,11.0,A4B4C3_mC22_12_j_gh_ai:Dy-S-Te +mp-1195739,Dy2Cu(SO6)2,-6.8867424897,-2.1252163357,0.1778936864,0.1778936864,GGA,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Cu-Dy-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Cu-Dy-O-S +mp-1190393,Dy2CuTe2(SO7)2,-6.9106253152,-2.2855808472,0.0106280026,0.0106280026,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Dy-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Dy-O-S-Te +mp-1225289,Dy2TeS2,-6.26926975,-2.1433138886,0.0,-0.009362818,GGA,Immm,A2B2C_oI10_71_f_e_a:Dy-S-Te,5.0,A2B2C_oI10_71_f_e_a:Dy-S-Te +mp-1217784,SrYAl3O7,-8.0632376667,-3.5616115804,0.0151947429,0.0151947429,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Al-O-Sr-Y,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Al-O-Sr-Y, expected SrYAl5O19 to be SrYAl3O7" +mp-1020715,Sr6Y2Al4O15,-7.6097837215,-3.4522823535,0.0077234118,0.0077234118,GGA,C2,A4B15C6D2_mC54_5_2c_a7c_ab2c_c:Al-O-Sr-Y,27.0,A4B15C6D2_mC54_5_2c_a7c_ab2c_c:Al-O-Sr-Y +mp-1046905,Sr2YMn2AlO7,-8.0824906419,-2.9638840717,0.0604844513,0.0604844513,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Mn-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Mn-O-Sr-Y +mp-2227278,MgNi(PO3)3,-7.1743597457,-2.3071795563,0.293479062,0.293479062,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Mg-Ni-O-P,14.0,"Invalid WP multiplicities - ABC9D3_hR42_146_a_a_7b_b:Mg-Ni-O-P, expected MgNi(PO7)3 to be MgNi(PO3)3" +mp-1209867,NiMo2P,-8.6176594238,-0.3964745721,0.0221167246,0.0221167246,GGA,C2/m,A2BC_mC32_12_eg2i_j_hi:Mo-Ni-P,16.0,"Invalid WP multiplicities - A2BC_mC32_12_eh4i_j_gi:Mo-Ni-P, expected NiMo3P to be NiMo2P" +mp-1209818,Ni7(Mo3P2)3,-8.1974694609,-0.4451229705,0.0171606033,0.0171606033,GGA,P-1,A9B7C6_aP22_2_b4i_d3i_3i:Mo-Ni-P,22.0,A9B7C6_aP22_2_b4i_d3i_3i:Mo-Ni-P +mp-1046740,MgNiPO5,-6.9434014512,-2.2525061021,0.1332567454,0.1332567454,GGA+U,Cc,ABC5D_mC32_9_a_a_5a_a:Mg-Ni-O-P,16.0,"Invalid WP multiplicities - ABC5D_mC32_9_a_a_7a_a:Mg-Ni-O-P, expected MgNiPO7 to be MgNiPO5" +mp-1044099,MgNi2(PO5)2,-6.768677889,-1.8717415199,0.2345744463,0.2345744463,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Mg-Ni-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Mg-Ni-O-P, expected MgNi2(PO18)2 to be MgNi2(PO5)2" +mp-1043472,NiMoP2O9,-7.7432098381,-2.2068567454,0.0426730319,0.0426730319,GGA+U,Pnma,ABC9D2_oP52_62_c_a_5c2d_2c:Mo-Ni-O-P,52.0,ABC9D2_oP52_62_c_a_5c2d_2c:Mo-Ni-O-P +mp-1043146,MgNiMoP2O9,-7.6816256462,-2.4264206281,0.062438828,0.062438828,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Mg-Mo-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Mg-Mo-Ni-O-P +mp-630883,Ni6Mo2P3,-7.0724677873,-0.4713743491,0.00166426,0.00166426,GGA,Pmmn,A2B6C3_oP22_59_e_ab2e_ae:Mo-Ni-P,22.0,"Invalid WP multiplicities - A2B6C3_oP22_59_e_a2b6e_a2e:Mo-Ni-P, expected Ni15Mo2P5 to be Ni6Mo2P3" +mp-1220086,Ni3Mo2P,-7.7088623417,-0.3013602139,0.0190498183,0.0190498183,GGA,P6_3/mmc,A2B3C_hP12_194_f_h_a:Mo-Ni-P,12.0,A2B3C_hP12_194_f_h_a:Mo-Ni-P +mp-2217698,MgNiP2O7,-7.2780371727,-2.4749605616,0.1320714725,0.1320434457,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Mg-Ni-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Mg-Ni-O-P +mp-1374437,MgNiP2O7,-7.3839935011,-2.58091689,0.0261151441,0.0260871173,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Mg-Ni-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Mg-Ni-O-P +mp-1042060,MgNiP2O7,-7.4087379382,-2.6056613271,0.001370707,0.0013426802,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Mg-Ni-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Mg-Ni-O-P +mp-2217592,MgNiP2O7,-7.2552626091,-2.452185998,0.1548460361,0.1548180093,GGA+U,C2,ABC7D2_mC22_5_a_b_a3c_c:Mg-Ni-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_b_a5c_c:Mg-Ni-O-P, expected MgNiP2O11 to be MgNiP2O7" +mp-2217309,MgNiP2O7,-7.3797381782,-2.5766615671,0.030370467,0.0303424402,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Mg-Ni-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Mg-Ni-O-P, expected MgNiP2O11 to be MgNiP2O7" +mp-2227596,MgNiP2O7,-7.2572692573,-2.4541926462,0.152839388,0.1528113611,GGA+U,C2,ABC7D2_mC22_5_a_b_a3c_c:Mg-Ni-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_b_a5c_c:Mg-Ni-O-P, expected MgNiP2O11 to be MgNiP2O7" +mp-1048259,MgNiP2O7,-7.4101086452,-2.6070320341,0.0,-2.80268e-05,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Mg-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Mg-Ni-O-P, expected MgNiP7O23 to be MgNiP2O7" +mp-1043448,MgNi3(P2O7)2,-7.3653358439,-2.3722657496,0.0449608199,0.0449608199,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Mg-Ni-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Mg-Ni-O-P +mp-5673,NiMoP8,-6.26898783,-0.2757671457,0.0109937029,0.0109937029,GGA,P-31c,ABC8_hP20_163_c_b_fi:Mo-Ni-P,20.0,"Invalid WP multiplicities - ABC8_hP20_163_c_b_f2i:Mo-Ni-P, expected NiMoP14 to be NiMoP8" +mp-1221709,Ni12Mo18P7,-8.4388888332,-0.2638493823,0.0696855859,0.0696855859,GGA,P3m1,A18B12C7_hP74_156_12d_2a2b2c6d_2a2bc3d:Mo-Ni-P,74.0,"Invalid WP multiplicities - A18B12C7_hP74_156_36d_2a2b2c18d_2a2bc9d:Mo-Ni-P, expected Ni15Mo27P8 to be Ni12Mo18P7" +mp-1220216,Ni15Mo17P12,-8.0840233843,-0.4468021991,0.0183006361,0.0183006361,GGA,P-1,A17B15C12_aP44_2_b8i_c7i_6i:Mo-Ni-P,44.0,"Invalid WP multiplicities - A17B15C12_aP44_2_b12i_c10i_9i:Mo-Ni-P, expected Ni21Mo25P18 to be Ni15Mo17P12" +mp-10208,NiMoP2,-7.4385780325,-0.5754800817,0.0,-0.0211397325,GGA,P6_3/mmc,ABC2_hP8_194_b_a_f:Mo-Ni-P,8.0,ABC2_hP8_194_b_a_f:Mo-Ni-P +mp-7632,NiMoP,-7.9044848278,-0.5581217289,0.0,-0.0453127302,GGA,P-62m,ABC_hP9_189_f_g_ad:Mo-Ni-P,9.0,ABC_hP9_189_f_g_ad:Mo-Ni-P +mp-1220567,NiMo8P3,-9.4137027731,-0.3482656831,0.024536908,0.024536908,GGA,P1,A8BC3_aP48_1_32a_4a_12a:Mo-Ni-P,48.0,A8BC3_aP48_1_32a_4a_12a:Mo-Ni-P +mp-1045786,MgNi(PO3)4,-7.5286846772,-2.6179129388,0.0,-0.0011737206,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Mg-Ni-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Mg-Ni-O-P +mp-2233445,MgNi2(PO4)2,-7.0245221892,-2.1352400267,0.2951245497,0.2951245497,GGA+U,C2/m,AB2C8D2_mC26_12_b_ac_2ij_i:Mg-Ni-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_12_a_bc_4i2j_i:Mg-Ni-O-P, expected MgNi2(PO8)2 to be MgNi2(PO4)2" +mp-1041075,MgNi2(PO4)2,-7.2649298737,-2.3756477111,0.0547168653,0.0547168653,GGA+U,C2/c,AB2C8D2_mC104_15_f_cef_8f_2f:Mg-Ni-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Mg-Ni-O-P, expected Mg2Ni7(PO5)12 to be MgNi2(PO4)2" +mp-2219689,MgNi2(PO4)2,-7.2048399877,-2.3155578251,0.1148067513,0.1148067513,GGA+U,Amm2,AB2C8D2_oC26_38_a_c_2cde_ab:Mg-Ni-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_oC26_38_a_c_4c2de_ab:Mg-Ni-O-P, expected MgNi2(PO7)2 to be MgNi2(PO4)2" +mp-1047865,MgNi3P3O13,-7.0325709337,-2.0581933909,0.1361873416,0.1361873416,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Mg-Ni-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Mg-Ni-O-P, expected MgNi5P3O34 to be MgNi3P3O13" +mp-776025,Ti3NbCu2(PO4)6,-8.1136937833,-2.7474010461,0.0607655156,0.0607655156,GGA,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Cu-Nb-O-P-Ti, expected Ti3NbCu2(P3O22)3 to be Ti3NbCu2(PO4)6" +mp-772046,NbCu3(PO4)4,-7.3314349758,-2.1981368735,0.0570866575,0.0570866575,GGA,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Nb-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Nb-O-P +mp-774802,NbCu(PO4)2,-7.8588508158,-2.4754652814,0.0718562083,0.0718562083,GGA,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cu-Nb-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Cu-Nb-O-P, expected NbCu(PO5)3 to be NbCu(PO4)2" +mp-1519080,NaSrZrVO6,-7.980433698,-2.9480579266,0.1167282902,0.1167282902,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-V-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-V-Zr +mp-758036,Li2V2Si5O13,-8.0826379461,-2.9272197066,0.0380793253,0.0380793253,GGA+U,P-1,A2B13C5D2_aP44_2_2i_13i_5i_2i:Li-O-Si-V,44.0,"Invalid WP multiplicities - A2B13C5D2_aP44_2_3i_25i_9i_3i:Li-O-Si-V, expected Li3V3Si9O25 to be Li2V2Si5O13" +mp-1235590,Ba2LiV2(Si2O7)2,-7.96021067,-2.9658802803,0.1427710971,0.1427710971,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V +mp-1235709,Ba2LiV2(Si2O7)2,-8.02575989,-3.0314295003,0.0772218771,0.0772218771,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V +mp-1235820,Ba2LiV2(Si2O7)2,-7.9628406478,-2.9685102581,0.1401411193,0.1401411193,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Li-O-Si-V +mp-1235397,Ba2LiV2(Si2O7)2,-7.982027677,-2.9876972872,0.1209540902,0.1209540902,GGA+U,Pm,A2BC14D4E2_mP23_6_ab_a_2a2b5c_2c_ab:Ba-Li-O-Si-V,23.0,"Invalid WP multiplicities - A2BC14D4E2_mP23_6_ab_a_2a2b9c_4c_ab:Ba-Li-O-Si-V, expected Ba2LiV2(Si4O11)2 to be Ba2LiV2(Si2O7)2" +mp-1235096,Ba2LiV2(Si2O7)2,-7.9578137717,-2.963483382,0.1451679954,0.1451679954,GGA+U,Amm2,A2BC14D4E2_oC46_38_ab_a_2a2bc2f_2c_ab:Ba-Li-O-Si-V,23.0,"Invalid WP multiplicities - A2BC14D4E2_oC46_38_ab_a_2a2bc8f_4c_ab:Ba-Li-O-Si-V, expected Ba2LiV2(Si4O19)2 to be Ba2LiV2(Si2O7)2" +mp-765779,Li10V(SiO5)2,-6.3199535085,-2.4725335994,0.090998872,0.090998872,GGA+U,C2/m,A10B10C2D_mC92_12_4i3j_g5i2j_2i_i:Li-O-Si-V,46.0,"Invalid WP multiplicities - A10B10C2D_mC92_12_7i6j_g9i4j_3i_i:Li-O-Si-V, expected Li19V(SiO6)3 to be Li10V(SiO5)2" +mp-757778,Li2V(Si2O5)3,-7.9990911902,-3.0135082464,0.0665138031,0.0665138031,GGA+U,P-1,A2B15C6D_aP24_2_i_b7i_3i_e:Li-O-Si-V,48.0,A2B15C6D_aP24_2_i_b7i_3i_e:Li-O-Si-V +mp-767204,Li2V(Si2O5)3,-8.0063153402,-3.0207323964,0.0592896531,0.0592896531,GGA+U,P2_1,A2B15C6D_mP48_4_2a_15a_6a_a:Li-O-Si-V,48.0,"Invalid WP multiplicities - A2B15C6D_mP48_4_3a_29a_11a_a:Li-O-Si-V, expected Li3VSi11O29 to be Li2V(Si2O5)3" +mp-767777,Li2V(Si2O5)3,-7.976767034,-2.9911840901,0.0888379594,0.0888379594,GGA+U,Cc,A2B15C6D_mC96_9_2a_15a_6a_a:Li-O-Si-V,48.0,"Invalid WP multiplicities - A2B15C6D_mC96_9_4a_30a_12a_a:Li-O-Si-V, expected Li4V(Si2O5)6 to be Li2V(Si2O5)3" +mp-1249301,Li2V(Si2O5)3,-7.9979804433,-3.0123974995,0.06762455,0.06762455,GGA+U,Cc,A2B15C6D_mC96_9_2a_15a_6a_a:Li-O-Si-V,48.0,"Invalid WP multiplicities - A2B15C6D_mC96_9_4a_30a_12a_a:Li-O-Si-V, expected Li4V(Si2O5)6 to be Li2V(Si2O5)3" +mp-775292,Li2V(Si2O5)3,-8.0378726876,-3.0522897438,0.0277323057,0.0277323057,GGA+U,Cmce,A2B15C6D_oC192_64_de_3f6g_3g_e:Li-O-Si-V,96.0,"Invalid WP multiplicities - A2B15C6D_oC192_64_2d3e_12f47g_19g_e:Li-O-Si-V, expected Li5V(Si19O53)2 to be Li2V(Si2O5)3" +mp-775339,Li2V(Si2O5)3,-8.0065737633,-3.0209908195,0.05903123,0.05903123,GGA+U,Imma,A2B15C6D_oI96_74_g_e2hi2j_hj_a:Li-O-Si-V,48.0,"Invalid WP multiplicities - A2B15C6D_oI96_74_g_2e6hi4j_2hj_a:Li-O-Si-V, expected Li2V(SiO4)8 to be Li2V(Si2O5)3" +mp-757841,Li2VSi7O16,-8.0191176948,-3.0181177951,0.0783211471,0.0783211471,GGA+U,P1,A2B16C7D_aP26_1_2a_16a_7a_a:Li-O-Si-V,52.0,A2B16C7D_aP26_1_2a_16a_7a_a:Li-O-Si-V +mp-1344597,Li2VSi7O16,-2.6701207208,2.330879179,5.4273181211,5.4273181211,GGA+U,P1,A2B16C7D_aP26_1_2a_16a_7a_a:Li-O-Si-V,26.0,A2B16C7D_aP26_1_2a_16a_7a_a:Li-O-Si-V +mp-770256,Li4V2(SiO4)3,-7.5788242207,-2.7483612573,0.0899335983,0.0899335983,GGA+U,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Li-O-Si-V,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_167_2b3e_11f_e_c:Li-O-Si-V, expected Li11V2(SiO22)3 to be Li4V2(SiO4)3" +mp-27454,BaLi2Si,-3.0479928387,-0.2574581629,0.0,-0.0155743085,GGA,Pmmn,AB2C_oP8_59_a_e_b:Ba-Li-Si,8.0,AB2C_oP8_59_a_e_b:Ba-Li-Si +mp-1190381,BaVSi2O7,-8.2648562036,-3.1302800174,0.002446685,0.002446685,GGA+U,Ama2,AB7C2D_oC44_40_b_a2b2c_c_b:Ba-O-Si-V,22.0,AB7C2D_oC44_40_b_a2b2c_c_b:Ba-O-Si-V +mp-558509,BaVSi2O7,-8.2461294573,-3.111553271,0.0211734313,0.0211734313,GGA+U,I4/m,AB7C2D_tI44_87_d_ehi_h_e:Ba-O-Si-V,44.0,AB7C2D_tI44_87_d_ehi_h_e:Ba-O-Si-V +mp-766408,Li2V(Si2O5)2,-7.8807619941,-2.9354731097,0.0701224017,0.0701224017,GGA+U,P-1,A2B10C4D_aP34_2_2i_10i_4i_i:Li-O-Si-V,34.0,"Invalid WP multiplicities - A2B10C4D_aP34_2_3i_19i_7i_i:Li-O-Si-V, expected Li3VSi7O19 to be Li2V(Si2O5)2" +mp-766038,Li2VSiO5,-7.4992105667,-2.7147090789,0.0519629044,0.0507985658,GGA+U,P2_1/c,A2B5CD_mP72_14_4e_10e_2e_2e:Li-O-Si-V,72.0,"Invalid WP multiplicities - A2B5CD_mP72_14_13e_37e_7e_7e:Li-O-Si-V, expected Li13V7Si7O37 to be Li2VSiO5" +mp-766036,Li2VSiO5,-7.5214674692,-2.7369659814,0.0297060019,0.0285416633,GGA+U,Pmc2_1,A2B5CD_oP36_26_abc_ab4c_c_ab:Li-O-Si-V,36.0,"Invalid WP multiplicities - A2B5CD_oP36_26_ab2c_ab8c_c_ab:Li-O-Si-V, expected Li3VSiO9 to be Li2VSiO5" +mp-18860,Li2VSiO5,-7.5511734711,-2.7666719834,0.0,-0.0011643387,GGA+U,P4/nmm,A2B5CD_tP18_129_d_ci_b_c:Li-O-Si-V,36.0,A2B5CD_tP18_129_d_ci_b_c:Li-O-Si-V +mp-757307,LiV(SiO3)2,-8.098317015,-2.9459572886,0.0292513574,0.0257587263,GGA+U,P-1,AB6C2D_aP30_2_ai_9i_3i_di:Li-O-Si-V,30.0,"Invalid WP multiplicities - AB6C2D_aP30_2_a2i_17i_5i_d2i:Li-O-Si-V, expected Li5V5(Si5O17)2 to be LiV(SiO3)2" +mp-559840,LiV(SiO3)2,-8.1155023248,-2.9631425983,0.0120660476,0.0085734166,GGA+U,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Li-O-Si-V,40.0,"Invalid WP multiplicities - AB6C2D_mP40_14_e_21e_4e_e:Li-O-Si-V, expected LiVSi4O21 to be LiV(SiO3)2" +mp-19043,LiV(SiO3)2,-8.11990386,-2.9675441336,0.0076645124,0.0041718813,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Li-O-Si-V,20.0,"Invalid WP multiplicities - AB6C2D_mC40_15_e_6f_f_e:Li-O-Si-V, expected LiV(SiO6)2 to be LiV(SiO3)2" +mp-765346,LiV(SiO3)2,-8.1275683724,-2.975208646,0.0,-0.0034926311,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Li-O-Si-V,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_21c_5c_c:Li-O-Si-V, expected LiVSi5O21 to be LiV(SiO3)2" +mp-773075,Li2V2(Si2O5)3,-8.061302064,-2.9117861951,0.0898408037,0.0898408037,GGA+U,Cmce,A2B15C6D2_oC200_64_ef_3f6g_3g_de:Li-O-Si-V,100.0,"Invalid WP multiplicities - A2B15C6D2_oC200_64_2ef_9f16g_7g_3d2e:Li-O-Si-V, expected Li3V5Si14O41 to be Li2V2(Si2O5)3" +mp-771775,Li2V2(SiO3)3,-7.9578809373,-2.7840177895,0.067756346,0.067756346,GGA+U,P3_2,A2B9C3D2_hP96_145_4a_18a_6a_4a:Li-O-Si-V,96.0,"Invalid WP multiplicities - A2B9C3D2_hP96_145_10a_53a_16a_8a:Li-O-Si-V, expected Li10V8Si16O53 to be Li2V2(SiO3)3" +mp-1267368,Li2V2(SiO3)3,-7.9657102842,-2.7918471364,0.0599269991,0.0599269991,GGA+U,P3_2,A2B9C3D2_hP96_145_4a_18a_6a_4a:Li-O-Si-V,96.0,"Invalid WP multiplicities - A2B9C3D2_hP96_145_10a_53a_16a_8a:Li-O-Si-V, expected Li10V8Si16O53 to be Li2V2(SiO3)3" +mp-766119,Li2V2Si2O9,-7.9295998738,-2.7725003849,0.0387702563,0.0387702563,GGA+U,Pbcn,A2B9C2D2_oP60_60_d_c4d_d_d:Li-O-Si-V,60.0,"Invalid WP multiplicities - A2B9C2D2_oP60_60_d_2c15d_d_d:Li-O-Si-V, expected LiVSiO16 to be Li2V2Si2O9" +mp-781020,Li2V2Si4O11,-7.0687299734,-1.9055454567,1.0119536188,1.0119536188,GGA+U,P-1,A2B11C4D2_aP38_2_2i_11i_4i_2i:Li-O-Si-V,38.0,"Invalid WP multiplicities - A2B11C4D2_aP38_2_3i_21i_7i_3i:Li-O-Si-V, expected Li3V3(SiO3)7 to be Li2V2Si4O11" +mp-766406,Li3V(SiO3)3,-7.5712007894,-2.8457740918,0.0956406768,0.0956406768,GGA+U,Pmn2_1,A3B9C3D_oP64_31_4ab_2a8b_3b_b:Li-O-Si-V,64.0,"Invalid WP multiplicities - A3B9C3D_oP64_31_8a2b_4a30b_9b_b:Li-O-Si-V, expected Li6VSi9O32 to be Li3V(SiO3)3" +mp-1176994,Li7V3(SiO6)2,-7.2309902235,-2.6132786039,0.0756955237,0.0756955237,GGA+U,C2/m,A7B12C2D3_mC48_12_aij_2i2j_g_dh:Li-O-Si-V,48.0,"Invalid WP multiplicities - A7B12C2D3_mC48_12_aij_2i2j_g_2c2h:Li-O-Si-V, expected Li7V6(SiO6)2 to be Li7V3(SiO6)2" +mp-756653,LiVSiO4,-7.9345063229,-2.7623774926,0.082345919,0.082345919,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_aP28_2_3i_15i_3i_3i:Li-O-Si-V, expected LiVSiO5 to be LiVSiO4" +mp-766051,LiVSiO4,-7.9241685964,-2.7520397662,0.0926836454,0.0926836454,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_aP28_2_3i_15i_3i_3i:Li-O-Si-V, expected LiVSiO5 to be LiVSiO4" +mp-757123,LiVSiO4,-7.9286400236,-2.7565111933,0.0882122183,0.0882122183,GGA+U,Pc,AB4CD_mP28_7_2a_8a_2a_2a:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_mP28_7_2a_8a_2a_4a:Li-O-Si-V, expected LiV2SiO4 to be LiVSiO4" +mp-753791,LiVSiO4,-7.9572800089,-2.7851511787,0.0595722329,0.0595722329,GGA+U,Pc,AB4CD_mP28_7_2a_8a_2a_2a:Li-O-Si-V,28.0,AB4CD_mP28_7_2a_8a_2a_2a:Li-O-Si-V +mp-775350,LiVSiO4,-7.9468728911,-2.7747440608,0.0699793508,0.0699793508,GGA+U,Cc,AB4CD_mC224_9_8a_32a_8a_8a:Li-O-Si-V,112.0,AB4CD_mC224_9_16a_64a_16a_16a:Li-O-Si-V +mp-849793,LiVSiO4,-7.947124074099999,-2.7749952439000003,0.0697281678,0.0697281678,GGA+U,Cc,AB4CD_mC224_9_8a_32a_8a_8a:Li-O-Si-V,112.0,"Invalid WP multiplicities - AB4CD_mC224_9_15a_64a_14a_16a:Li-O-Si-V, expected Li15V16(Si7O32)2 to be LiVSiO4" +mp-753754,LiVSiO4,-7.9457951236,-2.7736662933,0.0710571183,0.0710571183,GGA+U,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-Si-V,28.0,AB4CD_mP28_14_e_4e_e_e:Li-O-Si-V +mp-766099,LiVSiO4,-7.9481135761,-2.7759847458,0.0687386658,0.0687386658,GGA+U,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Li-O-Si-V,56.0,"Invalid WP multiplicities - AB4CD_mP56_14_3e_31e_3e_3e:Li-O-Si-V, expected Li3V3Si3O31 to be LiVSiO4" +mp-1176508,LiVSiO4,-7.93358954,-2.7614607098,0.0832627019,0.0832627019,GGA+U,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_13e_e_e:Li-O-Si-V, expected LiVSiO13 to be LiVSiO4" +mp-766089,LiVSiO4,-7.9429568295,-2.7708279992,0.0738954124,0.0738954124,GGA+U,Pca2_1,AB4CD_oP56_29_2a_8a_2a_2a:Li-O-Si-V,56.0,"Invalid WP multiplicities - AB4CD_oP56_29_5a_29a_5a_5a:Li-O-Si-V, expected Li5V5Si5O29 to be LiVSiO4" +mp-766049,LiVSiO4,-7.9445588186,-2.7724299883,0.0722934233,0.0722934233,GGA+U,Pca2_1,AB4CD_oP56_29_2a_8a_2a_2a:Li-O-Si-V,56.0,"Invalid WP multiplicities - AB4CD_oP56_29_5a_29a_5a_5a:Li-O-Si-V, expected Li5V5Si5O29 to be LiVSiO4" +mp-753797,LiVSiO4,-7.9413347111,-2.7692058808,0.0755175308,0.0755175308,GGA+U,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Li-O-Si-V,28.0,AB4CD_oP28_33_a_4a_a_a:Li-O-Si-V +mp-753749,LiVSiO4,-7.9492582175,-2.7771293873,0.0675940244,0.0675940244,GGA+U,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_13a_a_a:Li-O-Si-V, expected LiVSiO13 to be LiVSiO4" +mp-766121,LiVSiO4,-8.0059940773,-2.8338652470000003,0.0108581646,0.0108581646,GGA+U,Pbcn,AB4CD_oP84_60_cd_6d_cd_ad:Li-O-Si-V,84.0,"Invalid WP multiplicities - AB4CD_oP84_60_2c3d_25d_2c3d_2a2d:Li-O-Si-V, expected Li4V3Si4O25 to be LiVSiO4" +mp-766923,LiVSiO4,-8.00709369,-2.8349648598,0.0097585519,0.0097585519,GGA+U,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_7c2d_c_c:Li-O-Si-V, expected LiVSiO11 to be LiVSiO4" +mp-753374,LiVSiO4,-8.0029942836,-2.8308654533,0.0138579583,0.0138579583,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_a:Li-O-Si-V,28.0,AB4CD_oP28_62_c_2cd_c_a:Li-O-Si-V +mp-767447,LiVSiO4,-7.9610283586,-2.7888995283,0.0558238833,0.0558238833,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_a:Li-O-Si-V,28.0,AB4CD_oP28_62_c_2cd_c_a:Li-O-Si-V +mp-767620,LiVSiO4,-7.9248880718,-2.7527592415,0.0919641701,0.0919641701,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_a_c:Li-O-Si-V,28.0,AB4CD_oP28_62_c_2cd_a_c:Li-O-Si-V +mp-753702,LiVSiO4,-8.0118746304,-2.8397458001,0.0049776115,0.0049776115,GGA+U,Cmcm,AB4CD_oC28_63_c_fg_c_a:Li-O-Si-V,28.0,AB4CD_oC28_63_c_fg_c_a:Li-O-Si-V +mp-753223,LiVSiO4,-7.9473709039,-2.7752420737,0.0694813379,0.0694813379,GGA+U,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Si-V,28.0,AB4CD_oI28_74_e_hi_a_c:Li-O-Si-V +mp-753644,LiVSiO4,-7.9730563675,-2.8009275373,0.0437958744,0.0437958744,GGA+U,Imma,AB4CD_oI28_74_a_hi_e_c:Li-O-Si-V,28.0,AB4CD_oI28_74_a_hi_e_c:Li-O-Si-V +mp-753343,LiVSiO4,-7.9282199614,-2.7560911312,0.0886322804,0.0886322804,GGA+U,I-4,AB4CD_tI14_82_a_g_c_b:Li-O-Si-V,28.0,AB4CD_tI14_82_a_g_c_b:Li-O-Si-V +mp-802523,LiVSiO4,-7.9623959057,-2.7902670755,0.0544563362,0.0544563362,GGA+U,P4_122,AB4CD_tP28_91_a_2d_c_b:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_tP28_91_a_3d_c_b:Li-O-Si-V, expected LiVSiO6 to be LiVSiO4" +mp-766083,LiVSiO4,-7.9679378629,-2.7958090326,0.048914379,0.048914379,GGA+U,P4_322,AB4CD_tP28_95_a_2d_c_b:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_tP28_95_a_3d_c_b:Li-O-Si-V, expected LiVSiO6 to be LiVSiO4" +mp-766082,LiVSiO4,-7.9612901569,-2.7891613267,0.055562085,0.055562085,GGA+U,R3,AB4CD_hR126_146_2b_8b_2b_2b:Li-O-Si-V,42.0,"Invalid WP multiplicities - AB4CD_hR126_146_5b_23b_5b_4b:Li-O-Si-V, expected Li5V4Si5O23 to be LiVSiO4" +mp-766129,LiVSiO4,-7.930236415,-2.7581075848000003,0.0866158269,0.0866158269,GGA+U,R-3,AB4CD_hR126_148_f_4f_f_f:Li-O-Si-V,42.0,"Invalid WP multiplicities - AB4CD_hR126_148_f_17f_f_f:Li-O-Si-V, expected LiVSiO17 to be LiVSiO4" +mp-753739,LiVSiO4,-7.93500828,-2.7628794498,0.0818439619,0.0818439619,GGA+U,P6_3,AB4CD_hP14_173_a_bc_b_b:Li-O-Si-V,28.0,AB4CD_hP14_173_a_bc_b_b:Li-O-Si-V +mp-753492,LiVSiO4,-7.930165653099999,-2.7580368229000003,0.0866865888,0.0866865888,GGA+U,P6_422,AB4CD_hP21_181_a_k_c_d:Li-O-Si-V,42.0,AB4CD_hP21_181_a_k_c_d:Li-O-Si-V +mp-775185,LiVSiO4,-7.9280728277,-2.7559439975,0.0887794141,0.0887794141,GGA+U,P6_422,AB4CD_hP84_181_adf_4k_hj_gi:Li-O-Si-V,84.0,"Invalid WP multiplicities - AB4CD_hP84_181_a3d4f_37k_6h5j_3g2i:Li-O-Si-V, expected Li6V5Si11O74 to be LiVSiO4" +mp-766024,LiVSiO4,-7.9301290918,-2.7580002615,0.0867231501,0.0867231501,GGA+U,P2_13,AB4CD_cP28_198_a_ab_a_a:Li-O-Si-V,28.0,"Invalid WP multiplicities - AB4CD_cP28_198_a_4a5b_a_a:Li-O-Si-V, expected LiVSiO19 to be LiVSiO4" +mp-767778,Li2V3Si3O10,-8.1231381311,-2.7446711786,0.0299732678,0.0299732678,GGA+U,C2/c,A2B10C3D3_mC72_15_f_5f_ef_cf:Li-O-Si-V,36.0,"Invalid WP multiplicities - A2B10C3D3_mC72_15_f_17f_ef_a2f:Li-O-Si-V, expected Li2V5Si3O34 to be Li2V3Si3O10" +mp-774422,LiV(Si3O7)2,-8.1724540751,-3.0452550263,0.0896754978,0.0896754978,GGA+U,Ibam,AB14C6D_oI176_72_ad_2j6k_2j2k_f:Li-O-Si-V,88.0,"Invalid WP multiplicities - AB14C6D_oI176_72_ad_7j20k_6j3k_f:Li-O-Si-V, expected LiVSi12O47 to be LiV(Si3O7)2" +mp-15521,Ba2LiSi3,-4.0646837733,-0.3942126339,0.0,-0.0543330659,GGA,Fddd,A2BC3_oF96_70_2f_e_eh:Ba-Li-Si,24.0,"Invalid WP multiplicities - A2BC3_oF96_70_2f_e_e2h:Ba-Li-Si, expected Ba2LiSi5 to be Ba2LiSi3" +mp-1265172,Li3V(Si2O5)3,-7.8907977274,-3.0282811866,0.0321128697,0.0321128697,GGA+U,Pmc2_1,A3B15C6D_oP100_26_ab2c_5a5b10c_2a2b4c_ab:Li-O-Si-V,100.0,A3B15C6D_aP100_1_12a_60a_24a_4a:Li-O-Si-V +mp-756789,Li3V(Si2O5)3,-7.8842228431,-3.0217063024,0.038687754,0.038687754,GGA+U,Pnma,A3B15C6D_oP100_62_cd_5c5d_2c2d_c:Li-O-Si-V,100.0,"Invalid WP multiplicities - A3B15C6D_oP100_62_2c2d_19c20d_8c11d_c:Li-O-Si-V, expected Li6VSi30O59 to be Li3V(Si2O5)3" +mp-757761,Li3V(Si2O5)3,-7.8884646314,-3.0259480907,0.0344459657,0.0344459657,GGA+U,Cmce,A3B15C6D_oC200_64_def_3f6g_3g_e:Li-O-Si-V,100.0,"Invalid WP multiplicities - A3B15C6D_oC200_64_4d2ef_11f20g_5g_e:Li-O-Si-V, expected Li7VSi10O51 to be Li3V(Si2O5)3" +mp-861563,Li3VSiO5,-7.1276422335,-2.6306986079,0.0971869075,0.0971869075,GGA+U,P-1,A3B5CD_aP20_2_3i_5i_i_i:Li-O-Si-V,20.0,"Invalid WP multiplicities - A3B5CD_aP20_2_5i_9i_i_i:Li-O-Si-V, expected Li5VSiO9 to be Li3VSiO5" +mp-766229,Li3VSiO5,-7.1751826972,-2.6782390716,0.0496464437,0.0496464437,GGA+U,Pna2_1,A3B5CD_oP40_33_3a_5a_a_a:Li-O-Si-V,40.0,"Invalid WP multiplicities - A3B5CD_oP40_33_6a_10a_a_a:Li-O-Si-V, expected Li6VSiO10 to be Li3VSiO5" +mp-767720,Li2V4Si4O13,-8.2528073672,-2.7675162637,0.019753298,0.019753298,GGA+U,P-1,A2B13C4D4_aP46_2_2i_13i_4i_4i:Li-O-Si-V,46.0,"Invalid WP multiplicities - A2B13C4D4_aP46_2_3i_25i_7i_7i:Li-O-Si-V, expected Li3V7Si7O25 to be Li2V4Si4O13" +mp-558310,BaLi2SiO4,-6.852049509,-2.9834378154000003,0.0,-0.0073151007,GGA,P6_3cm,AB2C4D_hP48_185_c_2c_abcd_ab:Ba-Li-O-Si,48.0,"Invalid WP multiplicities - AB2C4D_hP48_185_c_9c_2a3b5c6d_2a3b:Ba-Li-O-Si, expected Ba3Li27Si8O59 to be BaLi2SiO4" +mp-1253145,Li3VSi2O7,-7.4750458217,-2.8374972287,0.0251374082,0.0251374082,GGA+U,P1,A3B7C2D_aP78_1_18a_42a_12a_6a:Li-O-Si-V,78.0,A3B7C2D_aP78_1_18a_42a_12a_6a:Li-O-Si-V +mp-766120,Li3VSi2O7,-7.4720744608,-2.8345258678,0.0281087691,0.0281087691,GGA+U,P2_1,A3B7C2D_mP78_4_9a_21a_6a_3a:Li-O-Si-V,78.0,"Invalid WP multiplicities - A3B7C2D_hP78_173_a4b9c_41c_9c_a3b:Li-O-Si-V, expected Li32V4(Si9O41)3 to be Li3VSi2O7" +mp-766039,Li3VSi2O7,-7.4495467035,-2.8119981105000003,0.0506365264,0.0506365264,GGA+U,Pnma,A3B7C2D_oP52_62_cd_c3d_d_a:Li-O-Si-V,52.0,"Invalid WP multiplicities - A3B7C2D_oP52_62_2c3d_4c9d_d_a:Li-O-Si-V, expected Li8V(SiO11)2 to be Li3VSi2O7" +mp-863437,Li9V5(Si5O16)2,-7.741607177,-2.8282669054,0.0950096449,0.0950096449,GGA+U,C2,A9B32C10D5_mC112_5_a4c_16c_ab4c_b2c:Li-O-Si-V,56.0,"Invalid WP multiplicities - A9B32C10D5_mC112_5_a7c_30c_ab8c_b3c:Li-O-Si-V, expected Li15V7(Si3O10)6 to be Li9V5(Si5O16)2" +mp-775301,LiV(Si2O5)3,-8.1548739373,-3.035523164,0.0498840748,0.0498840748,GGA+U,Cmce,AB15C6D_oC184_64_d_3f6g_3g_e:Li-O-Si-V,92.0,"Invalid WP multiplicities - AB15C6D_oC184_64_d_12f47g_19g_e:Li-O-Si-V, expected LiV(Si19O53)2 to be LiV(Si2O5)3" +mp-767624,Li9V5(SiO8)2,-7.350487865,-2.5818162528,0.0585186402,0.0585186402,GGA+U,P-1,A9B16C2D5_aP32_2_b4i_8i_i_c2i:Li-O-Si-V,32.0,"Invalid WP multiplicities - A9B16C2D5_aP32_2_b7i_15i_i_c4i:Li-O-Si-V, expected Li15V9(SiO15)2 to be Li9V5(SiO8)2" +mp-754539,LiVSiO5,-7.8327598644,-2.688811049,0.0541745953,0.0541745953,GGA+U,P2_1/m,AB5CD_mP16_11_a_3ef_e_e:Li-O-Si-V,16.0,"Invalid WP multiplicities - AB5CD_mP16_11_a_5e2f_e_e:Li-O-Si-V, expected LiVSiO9 to be LiVSiO5" +mp-780114,LiVSiO5,-7.7981985562,-2.6542497409,0.0887359034,0.0887359034,GGA+U,Pmc2_1,AB5CD_oP32_26_ab_ab4c_c_ab:Li-O-Si-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_26_ab_ab8c_c_ab:Li-O-Si-V, expected LiVSiO9 to be LiVSiO5" +mp-763247,LiVSiO5,-7.8172609844,-2.673312169,0.0696734753,0.0696734753,GGA+U,Cmme,AB5CD_oC32_67_c_go_b_g:Li-O-Si-V,16.0,"Invalid WP multiplicities - AB5CD_oC32_67_c_2g3o_b_g:Li-O-Si-V, expected LiVSiO14 to be LiVSiO5" +mp-757471,Li2V(SiO3)3,-7.785277034,-2.8720834144,0.0951326113,0.0951326113,GGA+U,P2_12_12_1,A2B9C3D_oP60_19_2a_9a_3a_a:Li-O-Si-V,60.0,"Invalid WP multiplicities - A2B9C3D_oP60_19_5a_33a_9a_a:Li-O-Si-V, expected Li5V(Si3O11)3 to be Li2V(SiO3)3" +mp-1177775,Li2VSi2O7,-7.6625261354,-2.7975920652,0.0944199446,0.0944199446,GGA+U,P1,A2B7C2D_aP72_1_12a_42a_12a_6a:Li-O-Si-V,72.0,A2B7C2D_aP72_1_12a_42a_12a_6a:Li-O-Si-V +mp-765964,Li2VSi2O7,-7.6960241558,-2.8310900857,0.0609219242,0.0609219242,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-Si-V,48.0,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-Si-V +mp-754643,LiV2(SiO4)2,-8.2105637923,-2.7874191187,0.0778679554,0.0778679554,GGA+U,P2_1,AB8C2D2_mP26_4_a_8a_2a_2a:Li-O-Si-V,26.0,AB8C2D2_mP26_4_a_8a_2a_2a:Li-O-Si-V +mp-778032,LiV2(SiO4)2,-8.21236413,-2.7892194564,0.0760676177,0.0760676177,GGA+U,Pc,AB8C2D2_mP26_7_a_8a_2a_2a:Li-O-Si-V,26.0,"Invalid WP multiplicities - AB8C2D2_mP26_7_a_16a_4a_4a:Li-O-Si-V, expected LiV4(SiO4)4 to be LiV2(SiO4)2" +mp-762820,LiV2(SiO4)2,-8.2166328715,-2.7934881979,0.0717988762,0.0717988762,GGA+U,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Li-O-Si-V,26.0,"Invalid WP multiplicities - AB8C2D2_mC26_8_a_4a2b_2a_4a:Li-O-Si-V, expected LiV4(SiO4)2 to be LiV2(SiO4)2" +mp-756291,LiV2(SiO4)2,-8.1338617219,-2.7107170483000003,0.1545700258,0.1545700258,GGA+U,P222_1,AB8C2D2_oP26_17_a_4e_e_bc:Li-O-Si-V,26.0,"Invalid WP multiplicities - AB8C2D2_oP26_17_a_7e_e_bc:Li-O-Si-V, expected LiV2(SiO7)2 to be LiV2(SiO4)2" +mp-777484,LiV2(SiO4)2,-8.1909194754,-2.7677748018,0.0975122723,0.0975122723,GGA+U,Pmc2_1,AB8C2D2_oP26_26_a_2a2b2c_ab_c:Li-O-Si-V,26.0,"Invalid WP multiplicities - AB8C2D2_oP26_26_a_4a4b4c_2a2b_c:Li-O-Si-V, expected LiV2(SiO4)4 to be LiV2(SiO4)2" +mp-752915,LiV2(SiO4)2,-8.1959794754,-2.7728348018,0.0924522723,0.0924522723,GGA+U,Amm2,AB8C2D2_oC26_38_a_2cde_ab_c:Li-O-Si-V,13.0,"Invalid WP multiplicities - AB8C2D2_oC26_38_a_2c2d2e_ab_c:Li-O-Si-V, expected LiV2(SiO6)2 to be LiV2(SiO4)2" +mp-753561,Li2VSiO4,-7.373151189,-2.6089231042,0.0839290693,0.0839290693,GGA+U,P1,A2B4CD_aP24_1_6a_12a_3a_3a:Li-O-Si-V,48.0,"Invalid WP multiplicities - A2B4CD_aP24_1_6a_12a_3a_6a:Li-O-Si-V, expected Li2V2SiO4 to be Li2VSiO4" +mp-753369,Li2VSiO4,-7.358228755,-2.5940006702,0.0988515033,0.0988515033,GGA+U,Pc,A2B4CD_mP16_7_2a_4a_a_a:Li-O-Si-V,16.0,"Invalid WP multiplicities - A2B4CD_mP16_7_4a_8a_a_a:Li-O-Si-V, expected Li4VSiO8 to be Li2VSiO4" +mp-753346,Li2VSiO4,-7.3820157275,-2.6177876427,0.0750645308,0.0750645308,GGA+U,Pmn2_1,A2B4CD_oP16_31_b_2ab_a_a:Li-O-Si-V,32.0,A2B4CD_oP16_31_b_2ab_a_a:Li-O-Si-V +mp-766405,Li2VSiO4,-7.3817611638,-2.617533079,0.0753190945,0.0753190945,GGA+U,Pnma,A2B4CD_oP32_62_d_2cd_c_c:Li-O-Si-V,32.0,"Invalid WP multiplicities - A2B4CD_oP32_62_d_5c3d_c_c:Li-O-Si-V, expected Li2VSiO11 to be Li2VSiO4" +mp-766040,Li4V2SiO8,-7.3079988038,-2.5878433821,0.0750886121,0.0750886121,GGA+U,P2_1/c,A4B8CD2_mP60_14_4e_8e_e_2e:Li-O-Si-V,60.0,"Invalid WP multiplicities - A4B8CD2_mP60_14_13e_29e_e_5e:Li-O-Si-V, expected Li13V5SiO29 to be Li4V2SiO8" +mp-752704,Li5V(SiO4)2,-7.0571382569,-2.7413466223,0.0449059747,0.0449059747,GGA+U,C2,A5B8C2D_mC32_5_a2bc_4c_c_a:Li-O-Si-V,16.0,"Invalid WP multiplicities - A5B8C2D_mC32_5_a2b2c_8c_c_a:Li-O-Si-V, expected Li7V(SiO8)2 to be Li5V(SiO4)2" +mp-779630,Li3V2(SiO5)2,-7.6586297197,-2.7049765484,0.0643537671,0.0643537671,GGA+U,Pmc2_1,A3B10C2D2_oP34_26_ac_ab4c_c_ab:Li-O-Si-V,34.0,"Invalid WP multiplicities - A3B10C2D2_oP34_26_ac_ab8c_c_ab:Li-O-Si-V, expected Li3V2(SiO9)2 to be Li3V2(SiO5)2" +mp-25243,Li3V2(SiO5)2,-7.65314826,-2.6994950887,0.0698352268,0.0698352268,GGA+U,Cmce,A3B10C2D2_oC68_64_ac_f2g_e_f:Li-O-Si-V,34.0,"Invalid WP multiplicities - A3B10C2D2_oC68_64_2a2c_2f13g_e_f:Li-O-Si-V, expected Li3VSiO28 to be Li3V2(SiO5)2" +mp-766379,Li4V2Si3O10,-7.5518704358,-2.7336417616,0.0601048988,0.0601048988,GGA+U,C2/c,A4B10C3D2_mC76_15_2f_5f_ef_f:Li-O-Si-V,38.0,"Invalid WP multiplicities - A4B10C3D2_mC76_15_7f_15f_2e3f_f:Li-O-Si-V, expected Li7VSi4O15 to be Li4V2Si3O10" +mp-863421,Li2V(SiO3)2,-7.6412561773,-2.7837543472,0.0766807694,0.0766807694,GGA+U,Pmn2_1,A2B6C2D_oP66_31_2a2b_4a7b_2a2b_3a:Li-O-Si-V,66.0,"Invalid WP multiplicities - A2B6C2D_oP66_31_4a6b_8a26b_4a6b_6a:Li-O-Si-V, expected Li8V3(Si4O15)2 to be Li2V(SiO3)2" +mp-766231,Li2V(SiO3)2,-7.6295506983,-2.7720488683,0.0883862484,0.0883862484,GGA+U,Pmn2_1,A2B6C2D_oP66_31_2a2b_4a7b_2a2b_3a:Li-O-Si-V,66.0,"Invalid WP multiplicities - A2B6C2D_oP66_31_4a6b_8a26b_4a6b_6a:Li-O-Si-V, expected Li8V3(Si4O15)2 to be Li2V(SiO3)2" +mp-761711,Li4V3SiO10,-7.5524293944,-2.5646730156,0.07264292,0.07264292,GGA+U,P1,A4B10CD3_aP18_1_4a_10a_a_3a:Li-O-Si-V,18.0,A4B10CD3_aP18_1_4a_10a_a_3a:Li-O-Si-V +mp-9950,BaLiSi,-3.2440394167,-0.1596341378,0.1415648239,0.1415648239,GGA,P-6m2,ABC_hP3_187_b_c_e:Ba-Li-Si,3.0,ABC_hP3_187_b_c_e:Ba-Li-Si +mp-765250,Li6V(SiO4)2,-6.7879519529,-2.6137408341,0.0789642649,0.0789642649,GGA+U,Pc,A6B8C2D_mP34_7_6a_8a_2a_a:Li-O-Si-V,34.0,"Invalid WP multiplicities - A6B8C2D_mP34_7_12a_16a_3a_a:Li-O-Si-V, expected Li12VSi3O16 to be Li6V(SiO4)2" +mp-766402,Li2VSi3O8,-7.7622357421,-2.851434629,0.0979244728,0.0979244728,GGA+U,P4_332,A2B8C3D_cP56_212_c_ce_d_a:Li-O-Si-V,56.0,"Invalid WP multiplicities - A2B8C3D_cP56_212_c_8c9e_d_a:Li-O-Si-V, expected Li2VSi3O70 to be Li2VSi3O8" +mp-850217,Li4V2Si4O13,-7.7422805616,-2.8809010411,0.0310859232,0.0310859232,GGA+U,Pna2_1,A4B13C4D2_oP92_33_4a_13a_4a_2a:Li-O-Si-V,92.0,"Invalid WP multiplicities - A4B13C4D2_oP92_33_13a_49a_13a_5a:Li-O-Si-V, expected Li13V5Si13O49 to be Li4V2Si4O13" +mp-765984,LiVSi3O8,-8.1275213075,-2.9858064831,0.0569768036,0.0569768036,GGA+U,P-1,AB8C3D_aP26_2_i_8i_3i_i:Li-O-Si-V,52.0,AB8C3D_aP26_2_i_8i_3i_i:Li-O-Si-V +mp-1326495,LiVSi3O8,-4.1281463677,1.0135684567,4.0563517434,4.0563517434,GGA+U,P-1,AB8C3D_aP26_2_i_8i_3i_i:Li-O-Si-V,26.0,"Invalid WP multiplicities - AB8C3D_aP26_2_i_15i_5i_i:Li-O-Si-V, expected LiV(SiO3)5 to be LiVSi3O8" +mp-767716,LiVSi3O8,-8.1127524725,-2.9710376481000003,0.0717456386,0.0717456386,GGA+U,P2_1/c,AB8C3D_mP52_14_e_8e_3e_e:Li-O-Si-V,52.0,"Invalid WP multiplicities - AB8C3D_mP52_14_e_26e_11e_e:Li-O-Si-V, expected LiVSi11O26 to be LiVSi3O8" +mp-752694,Li2VSi4O11,-7.9096778289,-2.9643111763,0.05304086,0.05304086,GGA+U,C2/c,A2B11C4D_mC72_15_2e_e5f_2f_c:Li-O-Si-V,36.0,"Invalid WP multiplicities - A2B11C4D_mC72_15_3e_2e17f_3f_a:Li-O-Si-V, expected Li3V(SiO6)6 to be Li2VSi4O11" +mp-765578,Li2VSi4O11,-7.8992219281,-2.9538552754,0.0634967608,0.0634967608,GGA+U,I4/m,A2B11C4D_tI72_87_h_abh2i_i_e:Li-O-Si-V,36.0,"Invalid WP multiplicities - A2B11C4D_tI72_87_h_ab3h6i_i_e:Li-O-Si-V, expected Li2VSi4O31 to be Li2VSi4O11" +mp-19179,Ba2V(SiO4)2,-8.0840689938,-3.2112996323,0.0,-0.0049957307,GGA+U,P4bm,A2B8C2D_tP26_100_c_abcd_c_a:Ba-O-Si-V,26.0,A2B8C2D_tP26_100_c_abcd_c_a:Ba-O-Si-V +mp-776672,Li2NbV3O8,-8.3266182257,-2.5591626062,0.0948109112,0.0948109112,GGA+U,Cm,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Nb-O-V,14.0,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Nb-O-V +mp-772509,Li2NbV3O8,-8.4123637236,-2.644908104,0.0090654133,0.0090654133,GGA+U,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Li-Nb-O-V,28.0,A2BC8D3_hR42_166_c_a_ch_d:Li-Nb-O-V +mp-777682,Li2NbV3O8,-8.4185359771,-2.6510803576,0.0028931597,0.0028931597,GGA+U,P6_3mc,A2BC8D3_hP28_186_ab_b_ab2c_c:Li-Nb-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_hP28_186_a2b_b_a2b9c_c:Li-Nb-O-V, expected Li3NbV3O30 to be Li2NbV3O8" +mp-772854,Li2NbV3O8,-8.4108890196,-2.6434334001,0.0105401172,0.0105401172,GGA+U,P4_332,A2BC8D3_cP56_212_c_a_ce_d:Li-Nb-O-V,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_212_c_a_8c9e_d:Li-Nb-O-V, expected Li2NbV3O70 to be Li2NbV3O8" +mp-753504,Li3Nb4VO12,-8.540089876,-2.8112819077,0.0281467365,0.0281467365,GGA+U,P1,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-V,20.0,A3B4C12D_aP20_1_3a_4a_12a_a:Li-Nb-O-V +mp-773121,Li3Nb2VO6,-7.9268887694,-2.5357706846,0.0870477635,0.0870477635,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Nb-O-V,48.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Nb-O-V +mp-754737,Li5Nb2V5O12,-8.0022723933,-2.3969799226,0.0980282352,0.0980282352,GGA+U,C2,A5B2C12D5_mC48_5_a2c_ab_6c_a2bc:Li-Nb-O-V,24.0,"Invalid WP multiplicities - A5B2C12D5_mC48_5_a4c_ab_6c_a2bc:Li-Nb-O-V, expected Li9Nb2V5O12 to be Li5Nb2V5O12" +mp-776075,Li6Nb3V3O16,-7.9114628232,-2.6201703264,0.101537599,0.101537599,GGA+U,Cm,A6B3C16D3_mC56_8_6a_ab_8a4b_ab:Li-Nb-O-V,28.0,"Invalid WP multiplicities - A6B3C16D3_mC56_8_6a_ab_8a6b_ab:Li-Nb-O-V, expected Li6Nb3V3O20 to be Li6Nb3V3O16" +mp-774457,LiNb7V12O48,-8.6977944228,-2.5350592886000003,0.0723241888,0.0723241888,GGA+U,P1,AB7C48D12_aP68_1_a_7a_48a_12a:Li-Nb-O-V,68.0,AB7C48D12_aP68_1_a_7a_48a_12a:Li-Nb-O-V +mp-772554,Li4Nb3V5O16,-8.4348606514,-2.6310693544,0.0504187185,0.0504187185,GGA+U,Cm,A4B3C16D5_mC56_8_4a_ab_8a4b_3ab:Li-Nb-O-V,28.0,"Invalid WP multiplicities - A4B3C16D5_mC56_8_4a_ab_8a6b_3a2b:Li-Nb-O-V, expected Li4Nb3V7O20 to be Li4Nb3V5O16" +mp-770888,Li4Nb5V3O16,-8.5286774668,-2.6522148148,0.0784950322,0.0784950322,GGA+U,Cm,A4B5C16D3_mC56_8_4a_3ab_8a4b_ab:Li-Nb-O-V,28.0,"Invalid WP multiplicities - A4B5C16D3_mC56_8_4a_3ab_8a6b_ab:Li-Nb-O-V, expected Li4Nb5V3O20 to be Li4Nb5V3O16" +mp-850928,Li9Nb7V12O48,-8.3035916534,-2.5886262316,0.0750008546,0.0750008546,GGA+U,P1,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Nb-O-V,76.0,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Nb-O-V +mp-849386,Li9Nb7V12O48,-8.3060339338,-2.591068512,0.0725585742,0.0725585742,GGA+U,P1,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Nb-O-V,76.0,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Nb-O-V +mp-754421,Li5Nb2V3O10,-7.8240554965,-2.5007640097,0.0706939347,0.0706939347,GGA+U,P-1,A5B2C10D3_aP20_2_b2i_i_5i_ei:Li-Nb-O-V,40.0,"Invalid WP multiplicities - A5B2C10D3_aP20_2_b2i_i_5i_2e2i:Li-Nb-O-V, expected Li5Nb2V6O10 to be Li5Nb2V3O10" +mp-755466,Li2NbVO4,-7.8299842769,-2.4812578158000003,0.1094603175,0.1094603175,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Nb-O-V,16.0,"Invalid WP multiplicities - A2BC4D_oI32_74_2a2c_b_3h4i_d:Li-Nb-O-V, expected Li4NbVO14 to be Li2NbVO4" +mp-754577,Li3NbV4O8,-8.07466878,-2.3410933044,0.1060598657,0.1060598657,GGA+U,C2/m,A3BC8D4_mC32_12_ae_d_2ij_bcf:Li-Nb-O-V,16.0,"Invalid WP multiplicities - A3BC8D4_mC32_12_af_c_4i2j_bde:Li-Nb-O-V, expected Li3NbV4O16 to be Li3NbV4O8" +mp-769928,Li4NbV3O8,-7.7360624063,-2.4509233808,0.0916442803,0.0916442803,GGA+U,C2/m,A4BC8D3_mC32_12_abe_c_2ij_df:Li-Nb-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_mC32_12_abf_c_4i2j_de:Li-Nb-O-V, expected Li4NbV3O16 to be Li4NbV3O8" +mp-754328,Li4NbV3O8,-7.6943463863,-2.4092073608,0.1333603003,0.1333603003,GGA+U,R-3m,A4BC8D3_hR48_166_ae_b_ch_d:Li-Nb-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_hR48_166_ae_b_2c2h_d:Li-Nb-O-V, expected Li4NbV3O16 to be Li4NbV3O8" +mp-1306573,LiNbVO4,-8.4979646732,-2.6578376987,0.0511649297,0.0511649297,GGA+U,P-1,ABC4D_aP28_2_2i_cfi_8i_abeh:Li-Nb-O-V,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_cfi_15i_abeh:Li-Nb-O-V, expected Li3Nb2V2O15 to be LiNbVO4" +mp-850203,LiNbVO4,-8.4953946007,-2.6552676262,0.0537350022,0.0537350022,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Nb-O-V,28.0,ABC4D_oI28_44_ab_c_2c2d_d:Li-Nb-O-V +mp-761817,LiNbVO4,-8.5118180232,-2.6716910487,0.0373115797,0.0373115797,GGA+U,P4_322,ABC4D_tP28_95_a_c_2d_b:Li-Nb-O-V,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_c_3d_b:Li-Nb-O-V, expected LiNbVO6 to be LiNbVO4" +mp-1304724,Li3NbV3O8,-8.026340302,-2.5161201993,0.0784368614,0.0784368614,GGA+U,P1,A3BC8D3_aP30_1_6a_2a_16a_6a:Li-Nb-O-V,30.0,A3BC8D3_aP30_1_6a_2a_16a_6a:Li-Nb-O-V +mp-769967,Li3NbV3O8,-8.0300118313,-2.5197917287,0.074765332,0.074765332,GGA+U,C2/m,A3BC8D3_mC30_12_cf_a_2ij_be:Li-Nb-O-V,30.0,"Invalid WP multiplicities - A3BC8D3_mC30_12_cf_a_2ij_2b2e:Li-Nb-O-V, expected Li3NbV6O8 to be Li3NbV3O8" +mp-755454,Li3NbV3O8,-8.0016699633,-2.4914498607,0.1031072,0.1031072,GGA+U,R-3m,A3BC8D3_hR45_166_d_a_ch_e:Li-Nb-O-V,15.0,"Invalid WP multiplicities - A3BC8D3_hR45_166_d_a_2c2h_e:Li-Nb-O-V, expected Li3NbV3O16 to be Li3NbV3O8" +mp-1295016,Li3NbV2O6,-7.8026585163,-2.496323679,0.0622941396,0.0622941396,GGA+U,P-1,A3BC6D2_aP24_2_ad2i_i_6i_2i:Li-Nb-O-V,24.0,"Invalid WP multiplicities - A3BC6D2_aP24_2_2a4i_i_12i_3i:Li-Nb-O-V, expected Li5NbV3O12 to be Li3NbV2O6" +mp-1302141,Li3NbV2O6,-7.8022333471,-2.4958985098,0.0627193087,0.0627193087,GGA+U,P-1,A3BC6D2_aP24_2_3i_i_6i_2i:Li-Nb-O-V,24.0,"Invalid WP multiplicities - A3BC6D2_aP24_2_5i_i_11i_3i:Li-Nb-O-V, expected Li5NbV3O11 to be Li3NbV2O6" +mp-754904,Li3NbV2O6,-7.7737747313,-2.467439894,0.0911779246,0.0911779246,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Nb-O-V,24.0,A3BC6D2_mC24_12_ai_d_3i_i:Li-Nb-O-V +mp-1214557,Ca4Si6W3O19,-8.0769304173,-2.6570621704,0.3977176758,0.3977176758,GGA+U,Fdd2,A4B19C6D3_oF256_43_2b_a9b_3b_ab:Ca-O-Si-W,64.0,A4B19C6D3_oF256_43_2b_a9b_3b_ab:Ca-O-Si-W +mp-1214353,Ca3Si6W7O15,-7.97084399,-1.4071036642,1.2104527398,1.2104527398,GGA+U,P1,A3B15C6D7_aP31_1_3a_15a_6a_7a:Ca-O-Si-W,31.0,A3B15C6D7_aP31_1_3a_15a_6a_7a:Ca-O-Si-W +mp-1227997,AlSi3W2,-7.92081918,-0.2645207833,0.0271304333,0.0271304333,GGA,P4mm,AB3C2_tP6_99_a_a2b_ab:Al-Si-W,6.0,AB3C2_tP6_99_a_a2b_ab:Al-Si-W +mp-1328088,Al2Si3(WO4)3,-8.1790167266,-2.0789286779,0.7101718404,0.7101718404,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-W,80.0,A2B12C3D3_cI160_230_a_h_d_c:Al-O-Si-W +mp-1214164,Ca4Si6W5O17,-7.9403562091,-2.0197728671,0.8439899739000001,0.8439899739000001,GGA+U,Cm,A4B17C6D5_mC64_8_2b_a8b_3b_3ab:Ca-O-Si-W,32.0,A4B17C6D5_mC64_8_2b_a8b_3b_3ab:Ca-O-Si-W +mp-1214742,Ca2Al4Si8(W3O8)3,-8.141304436,-1.8064161709,0.9238749326,0.9238749326,GGA+U,C2/m,A4B2C24D8E9_mC94_12_j_i_2i5j_2j_ahij:Al-Ca-O-Si-W,47.0,A4B2C24D8E9_mC94_12_j_i_2i5j_2j_ahij:Al-Ca-O-Si-W +mp-1214849,Ca9Si6(WO7)4,-7.9730711277,-2.8466432141,0.2705345205,0.2705345205,GGA+U,P-1,A9B28C6D4_aP47_2_a4i_14i_3i_2i:Ca-O-Si-W,47.0,A9B28C6D4_aP47_2_a4i_14i_3i_2i:Ca-O-Si-W +mp-1214322,CaAl2Si3W3O10,-7.9079694418,-1.9019703138,0.9589636158,0.9589636158,GGA+U,Cc,A2BC10D3E3_mC76_9_2a_a_10a_3a_3a:Al-Ca-O-Si-W,38.0,A2BC10D3E3_mC76_9_2a_a_10a_3a_3a:Al-Ca-O-Si-W +mp-1215045,CaAl2Si2(WO2)4,-7.9347300447,-1.3609995618,1.259803285,1.259803285,GGA+U,P2_1,A2BC8D2E4_mP68_4_4a_2a_16a_4a_8a:Al-Ca-O-Si-W,68.0,A2BC8D2E4_mP68_4_4a_2a_16a_4a_8a:Al-Ca-O-Si-W +mp-1261272,Ca2AlWO5,-7.8545905278,-2.8047739304,0.2513111181,0.2513111181,GGA+U,Ima2,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-W,18.0,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-W +mp-1154711,Ca3Si3(WO6)2,-8.3699345068,-2.9914705705,0.0535682279,0.0535682279,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-W,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-W +mp-1253396,CaSi2WO6,-8.1878867645,-2.6384369208000003,0.3719985716,0.3719985716,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-W,20.0,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-W +mp-1041992,CaSi2WO6,-8.2400963629,-2.6906465191,0.3197889732,0.3197889732,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Ca-O-Si-W,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Ca-O-Si-W, expected CaSi8WO41 to be CaSi2WO6" +mp-1182682,Ca4Al6WO16,-7.6415962252,-3.1008182952,0.2165514619,0.2165514619,GGA+U,Aem2,A6B4C16D_oC108_39_ab2d_2cd_2c7d_c:Al-Ca-O-W,54.0,"Invalid WP multiplicities - A6B4C16D_oC108_39_2a2b5d_3c3d_4c23d_c:Al-Ca-O-W, expected Ca9Al14WO50 to be Ca4Al6WO16" +mp-556028,Ca4Al6WO16,-7.8325399694,-3.2917620394,0.0256077177,0.0256077177,GGA+U,Aea2,A6B4C16D_oC216_41_2a5b_4b_16b_b:Al-Ca-O-W,108.0,"Invalid WP multiplicities - A6B4C16D_oC216_41_4a16b_12b_61b_b:Al-Ca-O-W, expected Ca12Al18WO61 to be Ca4Al6WO16" +mp-554242,Ca4Al6WO16,-7.6137831933,-3.0730052633,0.2443644938,0.2443644938,GGA+U,Fmm2,A6B4C16D_oF108_42_be_cd_cd3e_a:Al-Ca-O-W,27.0,"Invalid WP multiplicities - A6B4C16D_oF108_42_b2e_2c2d_2c2d10e_a:Al-Ca-O-W, expected Ca8Al10WO48 to be Ca4Al6WO16" +mp-1227687,Ca4Al6WO16,-7.8230497319,-3.2822718019,0.0350979553,0.0350979553,GGA+U,I-4,A6B4C16D_tI54_82_abg_g_4g_c:Al-Ca-O-W,27.0,"Invalid WP multiplicities - A6B4C16D_tI54_82_ab3g_g_13g_c:Al-Ca-O-W, expected Ca4Al14WO52 to be Ca4Al6WO16" +mp-19145,Ca4Al6WO16,-7.8134710507,-3.2726931207,0.0446766364,0.0446766364,GGA+U,I-43m,A6B4C16D_cI54_217_d_c_cg_a:Al-Ca-O-W,27.0,"Invalid WP multiplicities - A6B4C16D_cI54_217_d_c_c2g_a:Al-Ca-O-W, expected Ca4Al6WO28 to be Ca4Al6WO16" +mp-1214286,Ca5Si6W5O17,-7.78855315,-1.9866056706,0.9232133943,0.9232133943,GGA+U,P1,A5B17C6D5_aP33_1_5a_17a_6a_5a:Ca-O-Si-W,33.0,A5B17C6D5_aP33_1_5a_17a_6a_5a:Ca-O-Si-W +mp-1214932,Ca5Si6W5O17,-7.7810359573,-1.9790884778,0.930730587,0.930730587,GGA+U,Cc,A5B17C6D5_mC132_9_5a_17a_6a_5a:Ca-O-Si-W,66.0,A5B17C6D5_mC132_9_5a_17a_6a_5a:Ca-O-Si-W +mp-1043702,CaSi4WO10,-8.3451471553,-2.9619040714,0.1451301447,0.1451301447,GGA+U,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Ca-O-Si-W,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Ca-O-Si-W, expected CaSi4WO22 to be CaSi4WO10" +mp-1214183,Ca6Al43W4,-4.4534322622,-0.2095477171,0.0,-0.0211385384,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ca-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Ca-W +mp-1215070,CaAl2Si2(WO4)2,-7.8698703707,-2.1473931873,0.8228500390000001,0.8228500390000001,GGA+U,P2_12_12_1,A2BC8D2E2_oP120_19_4a_2a_16a_4a_4a:Al-Ca-O-Si-W,120.0,A2BC8D2E2_oP120_19_4a_2a_16a_4a_4a:Al-Ca-O-Si-W +mp-1222129,Mg2ZnP2,-3.56750833,-0.5101265853,0.0,-0.0028959525,GGA,P3m1,A2B2C_hP5_156_ac_ab_b:Mg-P-Zn,5.0,A2B2C_hP5_156_ac_ab_b:Mg-P-Zn +mp-1233292,MgTi2Zn2(PO5)2,-7.2054816206,-2.4875849483,0.3005315575,0.3005315575,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn +mp-1233700,MgTi2Zn2(PO5)2,-7.1511697394,-2.4332730671,0.3548434387,0.3548434387,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn +mp-1233970,MgTi2Zn2(PO5)2,-7.2086474241,-2.4907507518,0.297365754,0.297365754,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-P-Ti-Zn +mp-1210603,MgZn2(PO4)2,-6.7983392685,-2.6045021936,0.0004196331,0.0004196331,GGA,P2_1/c,AB8C2D2_mP26_14_a_4e_e_e:Mg-O-P-Zn,26.0,AB8C2D2_mP26_14_a_4e_e_e:Mg-O-P-Zn +mp-773598,TiFe5(PO4)6,-8.0553153422,-2.4595947262,0.0235829867,0.0235829867,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-Ti, expected TiFe5(PO10)6 to be TiFe5(PO4)6" +mp-17881,SrFeP2O7,-7.880924323,-2.8252024452,0.0,-0.0062520033,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Fe-O-P-Sr,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_10e_2e_e:Fe-O-P-Sr, expected SrFe(PO5)2 to be SrFeP2O7" +mp-695093,SrTiFe(PO4)3,-8.1033901747,-2.9003246894,0.0,-0.0008954572,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Fe-O-P-Sr-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_20b_b_a_a:Fe-O-P-Sr-Ti, expected SrTiFe(PO20)3 to be SrTiFe(PO4)3" +mp-1217126,Ti4Fe2P3,-8.21774943,-1.0219807626,0.044633288,0.044633288,GGA,Amm2,A2B3C4_oC18_38_d_bd_abe:Fe-P-Ti,9.0,A2B3C4_oC18_38_d_bd_abe:Fe-P-Ti +mp-1218733,Sr9Fe(PO4)7,-7.6245711622,-3.1784408566,0.022469487,0.022469487,GGA+U,Cc,AB28C7D9_mC180_9_a_28a_7a_9a:Fe-O-P-Sr,90.0,"Invalid WP multiplicities - AB28C7D9_mC180_9_a_42a_10a_13a:Fe-O-P-Sr, expected Sr13Fe(P5O21)2 to be Sr9Fe(PO4)7" +mp-1197366,SrFe5P5O22,-7.444450688,-1.9919275461,0.3831620279,0.3831620279,GGA+U,P-1,A5B22C5D_aP66_2_5i_22i_5i_i:Fe-O-P-Sr,66.0,A5B22C5D_aP66_2_5i_22i_5i_i:Fe-O-P-Sr +mp-555399,SrFe3(PO4)3,-7.9730495955,-2.5678006935,0.0,-0.0106981097,GGA+U,Imma,A3B12C3D_oI76_74_ag_hi2j_eg_e:Fe-O-P-Sr,38.0,"Invalid WP multiplicities - A3B12C3D_oI76_74_ag_4h3i12j_2e3g_e:Fe-O-P-Sr, expected SrFe3(P4O31)2 to be SrFe3(PO4)3" +mp-1196389,Ti4Fe(PO4)6,-8.4189370637,-2.9545846812,0.0032567159,-0.0072420696,GGA+U,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Fe-O-P-Ti,35.0,AB24C6D4_hR105_148_a_4f_f_2c:Fe-O-P-Ti +mp-554569,Ti4Fe(PO4)6,-8.4221937796,-2.9578413971,0.0,-0.0104987855,GGA+U,R32,AB24C6D4_hR210_155_c_8f_def_4c:Fe-O-P-Ti,70.0,"Invalid WP multiplicities - AB24C6D4_hR210_155_c_43f_2d2e4f_7c:Fe-O-P-Ti, expected Ti7Fe(P6O43)3 to be Ti4Fe(PO4)6" +mp-557942,SrFe3P3O13,-7.9000196448,-2.5176987523000003,0.0,-0.0126023518,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Fe-O-P-Sr,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_14e12f_4e_e:Fe-O-P-Sr, expected SrFe5(P2O19)2 to be SrFe3P3O13" +mp-542976,SrFe2(PO4)2,-7.956744315,-2.6467711937,0.0,-0.0084176535,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Fe-O-P-Sr,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Fe-O-P-Sr +mp-18215,SrFe3(P2O7)2,-7.9734160486,-2.6094883637,0.0,-0.0099881358,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Fe-O-P-Sr,44.0,"Invalid WP multiplicities - A3B14C4D_mP44_14_2a2e_10e_2e_b:Fe-O-P-Sr, expected SrFe6(PO5)4 to be SrFe3(P2O7)2" +mp-1101870,TiFeP,-8.3231221483,-1.0635169039,0.0,-0.103465925,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-P-Ti,12.0,ABC_oP12_62_c_c_c:Fe-P-Ti +mp-1080486,TiFeP,-8.2931730678,-1.0335678233,0.0299490806,-0.0735168444,GGA,P-62m,ABC_hP9_189_f_bc_g:Fe-P-Ti,9.0,ABC_hP9_189_f_bc_g:Fe-P-Ti +mp-775272,TiFe3(PO4)6,-7.7289736982,-2.3023295877,0.0734365271,0.0734365271,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Fe-O-P-Ti,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Fe-O-P-Ti, expected TiFe3(PO10)6 to be TiFe3(PO4)6" +mp-1046490,SrFe(PO4)2,-7.5946875308,-2.5480517503,0.1036399779,0.1036399779,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Fe-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Fe-O-P-Sr, expected SrFe(PO7)2 to be SrFe(PO4)2" +mp-1203060,Sr2Fe(PO4)3,-7.5263786614,-2.6680908741,0.089054183,0.089054183,GGA+U,C2/c,AB12C3D2_mC72_15_c_6f_ef_f:Fe-O-P-Sr,36.0,AB12C3D2_mC72_15_a_6f_ef_f:Fe-O-P-Sr +mp-778242,Ti2Fe(PO4)3,-8.4034558389,-2.8556126556,0.0237509322,0.0237509322,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Fe-O-P-Ti, expected Ti2Fe(PO26)3 to be Ti2Fe(PO4)3" +mp-556067,SrFe2(P2O7)2,-7.8471581995,-2.6311397301,0.0,-0.01314841,GGA+U,P-1,A2B14C4D_aP21_2_be_7i_2i_a:Fe-O-P-Sr,21.0,A2B14C4D_aP21_2_be_7i_2i_a:Fe-O-P-Sr +mp-1217193,Ti3Fe5P4,-8.2210863183,-0.9136036411,0.0,-0.0013868522,GGA,Pm,A5B4C3_mP12_6_2a3b_2a2b_2ab:Fe-P-Ti,12.0,A5B4C3_mP12_6_2a3b_2a2b_2ab:Fe-P-Ti +mp-556401,Ti2Fe(PO5)2,-8.5641576065,-2.9271911152000003,0.0,-0.0035981403,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Fe-O-P-Ti,60.0,AB10C2D2_mP30_14_a_5e_e_e:Fe-O-P-Ti +mp-775018,TiFe(PO4)2,-8.3153880346,-2.7515857071000003,0.027283949,0.027283949,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Ti,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Ti +mp-752448,TiFe(PO4)2,-8.3204684772,-2.7566661497,0.0222035063,0.0222035063,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Fe-O-P-Ti, expected TiFe(PO10)2 to be TiFe(PO4)2" +mp-775436,Ti3Fe(PO4)6,-8.1020129553,-2.7091646797,0.0362891718,0.0362891718,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Fe-O-P-Ti,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Fe-O-P-Ti, expected Ti3Fe(PO10)6 to be Ti3Fe(PO4)6" +mp-1101277,Ti5Fe(PO4)6,-8.4070085169,-2.875124478,0.0958249457,0.0958249457,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_22b_2b_5a:Fe-O-P-Ti, expected Ti5Fe(PO11)6 to be Ti5Fe(PO4)6" +mp-962060,NaYSi,-4.1949462367,0.2098252423,0.7542461945000001,0.7542461945000001,GGA,F-43m,ABC_cF12_216_a_b_c:Na-Si-Y,3.0,ABC_cF12_216_a_b_c:Na-Si-Y +mp-7350,Li(YSi)2,-5.77486234,-0.6363621093,0.0439258653,0.0439258653,GGA,P4/mbm,AB2C2_tP10_127_a_g_h:Li-Si-Y,10.0,AB2C2_tP10_127_a_g_h:Li-Si-Y +mp-14208,LiYSi,-5.1896296756,-0.5893923389,0.0,-0.0449713867,GGA,P-62m,ABC_hP9_189_f_bc_g:Li-Si-Y,9.0,ABC_hP9_189_f_bc_g:Li-Si-Y +mp-1100428,LiYSi,-4.51756177,0.0826755667,0.6720679056000001,0.6270965189000001,GGA,F-43m,ABC_cF12_216_a_b_c:Li-Si-Y,3.0,ABC_cF12_216_a_b_c:Li-Si-Y +mp-558941,LiYSiO4,-8.2077997496,-3.4095901989,0.0,-0.0065788123,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-Si-Y,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_14e_e_e:Li-O-Si-Y, expected LiYSiO14 to be LiYSiO4" +mp-14030,Na2LiY(Si2O5)3,-7.8995823483,-3.1886750117,0.0,-0.0007225945,GGA,Cmce,AB2C15D6E_oC200_64_d_ef_3f6g_3g_e:Li-Na-O-Si-Y,100.0,"Invalid WP multiplicities - AB2C15D6E_oC200_64_d_ef_4f11g_9g_e:Li-Na-O-Si-Y, expected Na2LiY(Si9O13)2 to be Na2LiY(Si2O5)3" +mp-1221256,Na5Y2(SiO4)6,-6.9186898451,-2.3019869818,0.2970801614,0.2970801614,GGA,P2_1/c,A5B24C6D2_mP74_14_a2e_12e_3e_e:Na-O-Si-Y,74.0,A5B24C6D2_mP74_14_a2e_12e_3e_e:Na-O-Si-Y +mp-1203085,Na3Y(SiO3)3,-7.5588589986,-3.1069715308,0.0,-0.0050114682,GGA,P2_12_12_1,A3B9C3D_oP256_19_12a_36a_12a_4a:Na-O-Si-Y,256.0,A3B9C3D_oP256_19_12a_36a_12a_4a:Na-O-Si-Y +mp-1221246,Na3Y(Si2O5)3,-7.8579750348,-3.1705236011,0.0,-0.0055702693,GGA,C2/m,A3B15C6D_mC100_12_ij_5i5j_2i2j_ad:Na-O-Si-Y,50.0,"Invalid WP multiplicities - A3B15C6D_mC100_12_ij_9i11j_4i5j_ad:Na-O-Si-Y, expected Na3YSi14O31 to be Na3Y(Si2O5)3" +mp-14977,Na3Y(Si2O5)3,-7.8499960219,-3.1625445882,0.0079790129,0.0024087436,GGA,Cmce,A3B15C6D_oC200_64_def_3f6g_3g_e:Na-O-Si-Y,100.0,"Invalid WP multiplicities - A3B15C6D_oC200_64_def_4f7g_3g_e:Na-O-Si-Y, expected Na3Y(SiO3)6 to be Na3Y(Si2O5)3" +mp-1220819,NaY9(Si3O13)2,-8.9240259245,-3.6695835439,0.0206317578,0.0206317578,GGA,P3,AB26C6D9_hP42_143_a_2b8d_2d_a2c2d:Na-O-Si-Y,42.0,AB26C6D9_hP42_143_a_2b8d_2d_a2c2d:Na-O-Si-Y +mp-1221257,Na3YSi2O7,-7.3472526537,-3.0463677281,0.0067097209,0.0067097209,GGA,P6_3,A3B7C2D_hP78_173_a2b2c_7c_2c_a2b:Na-O-Si-Y,78.0,A3B7C2D_hP78_173_a2b2c_7c_2c_a2b:Na-O-Si-Y +mp-560039,NaY(SiO3)2,-8.160129038000001,-3.3281525646,0.0064294293,0.0064294293,GGA,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Na-O-Si-Y,40.0,"Invalid WP multiplicities - AB6C2D_mP40_14_e_24e_3e_e:Na-O-Si-Y, expected NaY(SiO8)3 to be NaY(SiO3)2" +mp-554778,NaY(SiO3)2,-8.1513147963,-3.3193383229,0.015243671,0.015243671,GGA,C2/c,AB6C2D_mC120_15_ef_9f_3f_ef:Na-O-Si-Y,60.0,"Invalid WP multiplicities - AB6C2D_mC120_15_ef_31f_11f_2ef:Na-O-Si-Y, expected Na3Y4(Si11O31)2 to be NaY(SiO3)2" +mp-17891,NaYSiO4,-8.0702561093,-3.3558176405,0.0,-0.0251627128,GGA,Pnma,AB4CD_oP28_62_a_2cd_c_c:Na-O-Si-Y,28.0,AB4CD_oP28_62_a_2cd_c_c:Na-O-Si-Y +mp-1222506,LiY9(Si3O13)2,-8.9385296579,-3.6701254303,0.0290519645,0.0290519645,GGA,P3,AB26C6D9_hP42_143_a_2b8d_2d_a2c2d:Li-O-Si-Y,42.0,AB26C6D9_hP42_143_a_2b8d_2d_a2c2d:Li-O-Si-Y +mp-1202365,Na8Y3(SiO3)12,-7.4503763707,-2.8204742410000003,0.1528914256,0.1528914256,GGA,R-3c,A8B36C12D3_hR354_167_abf_6f_2f_e:Na-O-Si-Y,118.0,A8B36C12D3_hR354_167_abf_6f_2f_e:Na-O-Si-Y +mp-1179981,PdRhN5Cl5O,-4.5963937079,0.6663783164,1.2836021727,1.2836021727,GGA,P2_1/c,A5B5CDE_mP52_14_5e_5e_e_ac_e:Cl-N-O-Pd-Rh,52.0,A5B5CDE_mP52_14_5e_5e_e_ac_e:Cl-N-O-Pd-Rh +mp-1103861,RhN7ClO6,-5.5052001667,0.9780292515,1.5573879659,1.5573879659,GGA,I4,AB7C6D_tI30_79_a_abc_bc_a:Cl-N-O-Rh,15.0,AB7C6D_tI30_79_a_abc_bc_a:Cl-N-O-Rh +mp-1209176,RhN7ClO6,-5.5033770147,0.9798524035,1.5592111179,1.5592111179,GGA,I4mm,AB7C6D_tI30_107_a_abc_bd_a:Cl-N-O-Rh,15.0,AB7C6D_tI30_107_a_abc_bd_a:Cl-N-O-Rh +mp-1200213,PdRh(NO)10,-6.0627406443,0.5452605394,1.1150241255,1.1150241255,GGA,P2_1/m,A10B10CD_mP44_11_4e3f_2e4f_e_e:N-O-Pd-Rh,44.0,A10B10CD_mP44_11_4e3f_2e4f_e_e:N-O-Pd-Rh +mp-1220055,PdN4Cl2O,-4.3789412363,1.5172617064,1.9799218797,1.9799218797,GGA,P-42_1m,A2B4CD_tP16_113_e_f_c_a:Cl-N-O-Pd,16.0,A2B4CD_tP16_113_e_f_c_a:Cl-N-O-Pd +mp-1106350,PdN4Cl2O,-5.3930558637,0.5031470789,0.9658072522,0.9658072522,GGA,P4/mbm,A2B4CD_tP16_127_g_j_c_b:Cl-N-O-Pd,16.0,A2B4CD_tP16_127_g_j_c_b:Cl-N-O-Pd +mp-1179735,RhN3Cl6O,-4.2771509991,0.1239127569,0.6270193439,0.6270193439,GGA,Pnma,A6B3CD_oP44_62_2c2d_3c_c_c:Cl-N-O-Rh,44.0,A6B3CD_oP44_62_2c2d_3c_c_c:Cl-N-O-Rh +mp-1199378,RhN3Cl6O,-4.048486692,0.352577064,0.8556836509,0.8556836509,GGA,Pnma,A6B3CD_oP44_62_2c2d_3c_c_c:Cl-N-O-Rh,44.0,A6B3CD_oP44_62_2c2d_3c_c_c:Cl-N-O-Rh +mp-1182039,Li3H24Ru(ClO2)6,-4.9637176001,-1.3359332367,0.0335448951,0.0335448951,GGA,R-3c,A6B24C3D12E_hR276_167_f_4f_ac_2f_b:Cl-H-Li-O-Ru,92.0,"Invalid WP multiplicities - A6B24C3D12E_mC184_15_12f_48f_ef_24f_c:Cl-H-Li-O-Ru, expected Li3H96Ru(ClO2)24 to be Li3H24Ru(ClO2)6" +mp-1226372,K4Re6Se8O11,-6.5776604959,-1.009052684,0.6800186101,0.6800186101,GGA,P1,A4B11C6D8_aP29_1_4a_11a_6a_8a:K-O-Re-Se,29.0,A4B11C6D8_aP29_1_4a_11a_6a_8a:K-O-Re-Se +mp-557320,K4Re2Cl10O,-4.8583189294,-1.7546303724,0.0158994736,0.0158994736,GGA,I4/mmm,A10B4CD2_tI34_139_em_cd_a_e:Cl-K-O-Re,17.0,"Invalid WP multiplicities - A10B4CD2_tI34_139_2e3m_2cd_a_e:Cl-K-O-Re, expected K6Re2Cl28O to be K4Re2Cl10O" +mp-1223737,KRe6Se5Cl7O3,-6.5030239609,-1.00134477,0.2844103995,0.2844103995,GGA,P1,A7BC3D6E5_aP22_1_7a_a_3a_6a_5a:Cl-K-O-Re-Se,22.0,A7BC3D6E5_aP22_1_7a_a_3a_6a_5a:Cl-K-O-Re-Se +mp-556347,K2ReCl5O,-4.9920736414,-1.7859961869,0.0198950927,0.0198950927,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-O-Re,36.0,"Invalid WP multiplicities - A5B2CD_oP36_62_8c4d_d_c_c:Cl-K-O-Re, expected K2ReCl16O to be K2ReCl5O" +mp-1188548,K2ReCl5O,-4.7321219800000005,-1.5260445255,0.2798467541,0.2798467541,GGA,I4/mmm,A5B2CD_tI36_139_em_cd_ab_e:Cl-K-O-Re,18.0,A5B2CD_tI36_139_em_cd_ab_e:Cl-K-O-Re +mp-1180926,KReCl4O,-4.9881349129,-1.2887404152,0.3850385884,0.3850385884,GGA,P-1,A4BCD_aP14_2_4i_i_i_i:Cl-K-O-Re,14.0,A4BCD_aP14_2_4i_i_i_i:Cl-K-O-Re +mp-1200454,K2Re3Se4O7,-6.3792996825,-0.8689967864,0.8931299733,0.8931299733,GGA,P-1,A2B7C3D4_aP32_2_2i_7i_3i_4i:K-O-Re-Se,32.0,A2B7C3D4_aP32_2_2i_7i_3i_4i:K-O-Re-Se +mp-540999,Cs2CuO2,-3.407223052,-0.2505452847,1.0039325385,1.0039325385,GGA,I4/mmm,A2BC2_tI10_139_d_a_c:Cs-Cu-O,5.0,A2BC2_tI10_139_d_a_c:Cs-Cu-O +mp-603257,Cs2Cr4Cu(HO4)4,-6.6595381937,-1.5773113473,0.358844148,0.358844148,GGA+U,P-1,A4B2CD4E16_aP27_2_2i_i_a_2i_8i:Cr-Cs-Cu-H-O,27.0,"Invalid WP multiplicities - A4B2CD4E16_aP27_2_2i_i_a_4i_13i:Cr-Cs-Cu-H-O, expected Cs2Cr4Cu(H4O13)2 to be Cs2Cr4Cu(HO4)4" +mp-553303,CsCu3O2,-4.8196883183,-0.9719550176,0.0,-0.0331576638,GGA,P-3m1,AB3C2_hP6_164_a_f_d:Cs-Cu-O,6.0,AB3C2_hP6_164_a_f_d:Cs-Cu-O +mp-541037,CsCuO,-4.5036863417,-1.1899204239,0.0,-0.0835245922,GGA,Cmcm,ABC_oC12_63_c_a_c:Cs-Cu-O,6.0,ABC_oC12_63_c_a_c:Cs-Cu-O +mp-16543,Cs3Cu5O4,-4.6664808719,-1.0857312626,0.0,-0.0047935419,GGA,P2_1/c,A3B5C4_mP48_14_3e_5e_4e:Cs-Cu-O,48.0,"Invalid WP multiplicities - A3B5C4_mP48_14_3e_8e_4e:Cs-Cu-O, expected Cs3(Cu2O)4 to be Cs3Cu5O4" +mp-553310,CsCuO2,-5.073960275,-1.3519636589,0.0,-0.264674565,GGA,Cmcm,ABC2_oC16_63_c_c_f:Cs-Cu-O,8.0,ABC2_oC16_63_c_c_f:Cs-Cu-O +mp-1516631,KLaCeSnO6,-7.5514132975,-2.9844933645,0.0970645213,0.0970645213,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Ce-K-La-O-Sn,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_cd_6m_f:Ce-K-La-O-Sn, expected K2LaCeSnO12 to be KLaCeSnO6" +mp-1516484,KLaCeSnO6,-7.453927646,-2.887007713,0.1945501728,0.1945501728,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ce-K-La-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ce-K-La-O-Sn +mp-1518654,KEuHfSnO6,-8.342135162,-2.840705772,0.1153540322,0.1153540322,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Sn +mp-1519430,KEuHf2O6,-9.515849087,-3.4196579795,0.0900999692,0.0900999692,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Eu-Hf-K-O,10.0,AB2CD6_cF40_225_a_c_b_d:Eu-Hf-K-O +mp-1519413,KEuHf4O12,-9.2085975922,-3.066574181,0.2333304252,0.2333304252,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Hf-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Hf-K-O, expected KEuHf4O18 to be KEuHf4O12" +mp-1228139,BaCa2Y6O12,-8.6521758724,-3.6955441621,0.0446817896,0.0446817896,GGA,P-6,AB2C12D6_hP21_174_a_cf_2j2k_jk:Ba-Ca-O-Y,21.0,AB2C12D6_hP21_174_a_cf_2j2k_jk:Ba-Ca-O-Y +mp-1337023,Ca2YCuO5,-7.0657916761,-2.6979782206,0.1754608756,0.1754608756,GGA,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Cu-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Cu-O-Y +mp-1228323,Ba8CaY3(CuO2)12,-6.4473246935,-2.1834117383,0.0109501981,0.0109501981,GGA,C2/m,A8BC12D24E3_mC96_12_4i_a_fh2j_4i4j_bi:Ba-Ca-Cu-O-Y,48.0,"Invalid WP multiplicities - A8BC12D24E3_mC96_12_8i_a_eh3j_8i7j_b2i:Ba-Ca-Cu-O-Y, expected Ba16CaY5(Cu4O11)4 to be Ba8CaY3(CuO2)12" +mp-1228878,Ba10CaY4(Cu3O7)5,-6.4738658615,-2.1402744973,0.0338921081,0.0338921081,GGA,P-1,A10BC15D35E4_aP65_2_5i_b_c7i_e17i_2i:Ba-Ca-Cu-O-Y,65.0,"Invalid WP multiplicities - A10BC15D35E4_aP65_2_10i_b_c13i_e33i_3i:Ba-Ca-Cu-O-Y, expected Ba20CaY6Cu27O67 to be Ba10CaY4(Cu3O7)5" +mp-1519289,SrEuInWO6,-8.234480338000001,-2.5008361899,0.1400622256,0.1400622256,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-In-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-In-O-Sr-W +mp-2232035,MgCu2(IO3)4,-4.9173561653,-0.9672286218,0.1390788852,0.1390788852,GGA,P1,A2B4CD12_aP19_1_2a_4a_a_12a:Cu-I-Mg-O,19.0,A2B4CD12_aP19_1_2a_4a_a_12a:Cu-I-Mg-O +mp-2230637,MgCu2(IO3)4,-4.9272657889,-0.9771382455,0.1291692615,0.1291692615,GGA,Pm,A2B4CD12_mP19_6_c_2a2b_a_2a2b4c:Cu-I-Mg-O,19.0,"Invalid WP multiplicities - A2B4CD12_mP19_6_c_2a2b_a_2a2b7c:Cu-I-Mg-O, expected MgCu2(I2O9)2 to be MgCu2(IO3)4" +mp-2230478,MgCu2(IO3)4,-4.8790942516,-0.9289667082,0.1773407988,0.1773407988,GGA,Pm,A2B4CD12_mP19_6_c_2a2b_a_2a2b4c:Cu-I-Mg-O,19.0,"Invalid WP multiplicities - A2B4CD12_mP19_6_c_2a2b_a_2a2b7c:Cu-I-Mg-O, expected MgCu2(I2O9)2 to be MgCu2(IO3)4" +mp-2224761,Sr2MgCu(IO)2,-4.3444301888,-1.6046072201,0.7000840337,0.7000840337,GGA,I4mm,AB2CD2E2_tI16_107_a_2a_a_b_2a:Cu-I-Mg-O-Sr,8.0,AB2CD2E2_tI16_107_a_2a_a_b_2a:Cu-I-Mg-O-Sr +mp-2241898,Sr2MgCu(IO)2,-4.3443314388,-1.6045084701,0.7001827837,0.7001827837,GGA,I-4m2,AB2CD2E2_tI16_119_a_e_c_f_e:Cu-I-Mg-O-Sr,8.0,AB2CD2E2_tI16_119_a_e_c_f_e:Cu-I-Mg-O-Sr +mp-549580,Sr2Cu3(IO2)2,-4.7704601555,-1.2786333862,0.3726722427,0.3726722427,GGA,I4/mmm,A3B2C4D2_tI22_139_ac_d_h_e:Cu-I-O-Sr,11.0,A3B2C4D2_tI22_139_ac_d_h_e:Cu-I-O-Sr +mp-549487,Sr2Cu(IO)2,-4.95842018,-2.0558053658,0.0,-0.0124105589,GGA,I4/mmm,AB2C2D2_tI14_139_a_e_c_e:Cu-I-O-Sr,7.0,AB2C2D2_tI14_139_a_e_c_e:Cu-I-O-Sr +mp-1227389,BiPbIO2,-5.257524144,-1.4735481495,0.0,-0.0327952289,GGA,I4mm,ABC2D_tI10_107_a_a_b_a:Bi-I-O-Pb,5.0,ABC2D_tI10_107_a_a_b_a:Bi-I-O-Pb +mp-616564,RbPbIO6,-5.2378283617,-1.2548639439,0.0,-0.0351371044,GGA,P6_322,AB6CD_hP18_182_c_i_d_a:I-O-Pb-Rb,18.0,AB6CD_hP18_182_c_i_d_a:I-O-Pb-Rb +mp-1210517,RbPbI3O2,-3.4991762989,-0.7839394968000001,0.4546750363,0.4546750363,GGA,Pnma,A3B2CD_oP28_62_3c_2c_c_c:I-O-Pb-Rb,28.0,A3B2CD_oP28_62_3c_2c_c_c:I-O-Pb-Rb +mp-23517,RbPbI3,-3.0889906175,-1.266334579,0.0,-0.004958534,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-Pb-Rb,20.0,"Invalid WP multiplicities - A3BC_oP20_62_6c_c_c:I-Pb-Rb, expected RbPbI6 to be RbPbI3" +mp-1201257,Rb2Bi(IO3)5,-4.9913468011,-1.1927068144,0.0,-0.0128326195,GGA,Aem2,AB5C15D2_oC92_39_a_c2d_c7d_bc:Bi-I-O-Rb,46.0,AB5C15D2_oC92_39_a_c2d_c7d_bc:Bi-I-O-Rb +mp-1219895,Rb5Bi(I5O)2,-2.8133911463,-0.9594911232,0.403379804,0.403379804,GGA,R3m,AB10C2D5_hR162_160_b_3a5b2c_c_3bc:Bi-I-O-Rb,54.0,AB10C2D5_hR162_160_b_3a5b2c_c_3bc:Bi-I-O-Rb +mp-673703,Rb3Bi7Pb3(IO)10,-4.3708858594,-1.1841125882,0.2963516918,0.2963516918,GGA,P1,A7B10C10D3E3_aP33_1_7a_10a_10a_3a_3a:Bi-I-O-Pb-Rb,33.0,A7B10C10D3E3_aP33_1_7a_10a_10a_3a_3a:Bi-I-O-Pb-Rb +mp-1523086,Eu2ZnWO6,-9.06051041,-2.6193094393000003,0.0,-0.0123259364,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Zn +mp-1519428,SrEuZnWO6,-8.225855042,-2.6414049059,0.0183867795,0.0183867795,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-W-Zn +mp-1211299,KYb(MoO4)2,-7.5898566908,-2.2636219294,0.1022481767,0.1022481767,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Yb,,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Yb +mp-1211488,KYb(MoO4)2,-7.6143043769,-2.2880696155,0.0778004907,0.0778004907,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Yb,,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Yb +mp-1211614,KLiYb2(MoO4)4,-7.6435757744,-2.284069183,0.0877134809,0.0877134809,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Yb,,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Yb +mp-1222335,LiYb(MoO4)2,-7.6459080008,-2.2531295794,0.1137304011,0.1137304011,GGA+U,I-4,AB2C8D_tI24_82_a_bc_2g_d:Li-Mo-O-Yb,,AB2C8D_tI24_82_a_bc_2g_d:Li-Mo-O-Yb +mp-1223947,K5Yb(MoO4)4,-7.215333345,-2.2299016975,0.052551845,0.052551845,GGA+U,P2/m,A5B4C16D_mP26_10_cmn_mn_2m2n2o_e:K-Mo-O-Yb,,"Invalid WP multiplicities - A5B4C16D_mP26_10_a2m2n_2m2n_4m4n8o_e:K-Mo-O-Yb, expected K9Yb(MoO6)8 to be K5Yb(MoO4)4" +mp-559579,K5Yb(MoO4)4,-7.2284377542,-2.2430061067,0.0394474358,0.0394474358,GGA+U,C2/c,A5B4C16D_mC104_15_e2f_2f_8f_e:K-Mo-O-Yb,,"Invalid WP multiplicities - A5B4C16D_mC104_15_e5f_5f_29f_e:K-Mo-O-Yb, expected K11Yb(Mo5O29)2 to be K5Yb(MoO4)4" +mp-720657,Na7Li4Yb5C12O37,-7.1079852349,-2.2100948019,0.0875308574,0.0875308574,GGA,Cm,A12B4C7D37E5_mC130_8_6a3b_2ab_3a2b_7a15b_a2b:C-Li-Na-O-Yb,,"Invalid WP multiplicities - A12B4C7D37E5_mC130_8_6a5b_2ab_3a2b_7a15b_a2b:C-Li-Na-O-Yb, expected Na7Li4Yb5C16O37 to be Na7Li4Yb5C12O37" +mp-1173869,Na7Li4Yb5C12O37,-7.1319313028,-2.2340408697,0.0635847895,0.0635847895,GGA,Cm,A12B4C7D37E5_mC130_8_6a3b_2ab_3a2b_7a15b_a2b:C-Li-Na-O-Yb,,"Invalid WP multiplicities - A12B4C7D37E5_mC130_8_6a5b_2ab_3a2b_7a15b_a2b:C-Li-Na-O-Yb, expected Na7Li4Yb5C16O37 to be Na7Li4Yb5C12O37" +mp-556783,NaLiCO3,-6.7202313254,-2.170201361,4.99376e-05,-0.007471563,GGA,P1,ABCD3_aP54_1_9a_9a_9a_27a:C-Li-Na-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:C-Li-Na-O +mp-557375,NaLiCO3,-6.7200216633,-2.1699916989,0.0002595996,-0.007261901,GGA,P-6,ABCD3_hP18_174_acf_j_k_2jk:C-Li-Na-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_174_acf_j_k_3jk:C-Li-Na-O, expected NaLiCO4 to be NaLiCO3" +mp-559533,NaLiCO3,-6.720281263,-2.1702512986,0.0,-0.0075215006,GGA,P-6,ABCD3_hP54_174_acejk_3j_3k_6j3k:C-Li-Na-O,54.0,"Invalid WP multiplicities - ABCD3_hP54_174_ace2j3k_9j_7k_17j7k:C-Li-Na-O, expected Na7Li9(CO4)6 to be NaLiCO3" +mp-648988,NaLiCO3,-4.5063554033,0.0436745611,2.2139258596,2.206404359,GGA,P-6m2,ABCD3_hP18_187_acf_j_bde_3k:C-Li-Na-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_187_acf_j_bde_8k:C-Li-Na-O, expected NaLiCO8 to be NaLiCO3" +mp-561310,NaLiCO3,-6.7109134461,-2.1608834817,0.0093678169,0.0018463162,GGA,P-62m,ABCD3_hP18_189_ad_g_f_fk:C-Li-Na-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_189_ad_g_f_2f2k:C-Li-Na-O, expected NaLiCO6 to be NaLiCO3" +mp-1220656,Nd4Fe28BC,-8.0379767101,-0.0338225668,0.0028235512,0.0028235512,GGA,Cmmm,ABC28D4_oC136_65_g_j_efkl2n2o4r_ghij:B-C-Fe-Nd,68.0,"Invalid WP multiplicities - ABC28D4_oC136_65_g_j_2e2f2k2l4n4o16r_ghij:B-C-Fe-Nd, expected Nd4Fe88BC to be Nd4Fe28BC" +mp-1102704,NdFeCo3B,-7.1156118758,-0.2418595761,0.0011128635,0.0011128635,GGA,P6/mmm,AB3CD_hP12_191_c_i_d_ab:B-Co-Fe-Nd,12.0,AB3CD_hP12_191_c_i_d_ab:B-Co-Fe-Nd +mp-1220278,Nd4Fe4Co12B3C,-7.1858296633,-0.2058576252,0.0093958688,0.0093958688,GGA,P-6m2,A3BC12D4E4_hP24_187_abc_d_2n_gh_efi:B-C-Co-Fe-Nd,24.0,"Invalid WP multiplicities - A3BC12D4E4_hP24_187_abc_d_12n_gh_efi:B-C-Co-Fe-Nd, expected Nd4Fe4Co72B3C to be Nd4Fe4Co12B3C" +mp-8761,NdCoC2,-7.8512371188,-0.2677880656,0.0,-0.1616988097,GGA,Cc,A2BC_mC16_9_2a_a_a:C-Co-Nd,8.0,A2BC_mC16_9_2a_a_a:C-Co-Nd +mp-1522189,NaEuHfWO6,-9.333236679,-2.9157388169000003,0.0398705895,0.0398705895,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-Na-O-W +mp-1518017,Eu2HfWO6,-10.392244842,-3.0812993293,0.0678642853,0.0678642853,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-W +mp-556577,Na3Sb3(AsO7)2,-6.2440228734,-1.9291838567,0.0,-0.0067515755,GGA,P2_1/c,A2B3C14D3_mP44_14_e_ae_7e_ce:As-Na-O-Sb,44.0,"Invalid WP multiplicities - A2B3C14D3_mP44_14_e_2a2e_26e_ce:As-Na-O-Sb, expected Na6Sb3(AsO26)2 to be Na3Sb3(AsO7)2" +mp-770738,Na3BSbAsO7,-6.2766231169,-2.1180147881,0.0553004658,0.0553004658,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-B-Na-O-Sb,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:As-B-Na-O-Sb, expected Na4BSbAsO13 to be Na3BSbAsO7" +mp-1221319,Na2SbAs,-3.2411420725,-0.3828495145,0.0199508797,0.0199508797,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:As-Na-Sb,16.0,AB2C_mP16_14_e_2e_e:As-Na-Sb +mp-1331549,Ca3Ge3(WO6)2,-7.7584423764,-2.5003219664,0.021177837,0.021177837,GGA+U,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-W,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-W +mp-1043370,CaGe2WO6,-7.617305745,-2.2283139363,0.0884883554,0.0884883554,GGA+U,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-W,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-W +mp-1043294,CaGe2WO6,-7.6115992195,-2.2226074108,0.0941948809,0.0941948809,GGA+U,C2/c,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-W,20.0,AB2C6D_mC40_15_e_f_3f_e:Ca-Ge-O-W +mp-1196007,Cu2BiTeSO10,-5.8770763438,-1.291373321,0.1508868662,0.1508868662,GGA,P2_1/c,AB2C10DE_mP60_14_e_2e_10e_e_e:Bi-Cu-O-S-Te,60.0,AB2C10DE_mP60_14_e_2e_10e_e_e:Bi-Cu-O-S-Te +mp-1206303,Cu2BiSO2,-4.614854995,-0.2700667018,0.782324554,0.782324554,GGA,P4/mmm,AB2C2D_tP6_123_a_g_g_b:Bi-Cu-O-S,6.0,AB2C2D_tP6_123_a_g_g_b:Bi-Cu-O-S +mp-1211481,Na3Er(PO4)2,-7.1623548588,-2.9526827593,0.0,-0.0033680463,GGA,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Er-Na-O-P,112.0,AB3C8D2_oP112_29_2a_6a_16a_4a:Er-Na-O-P +mp-1221047,NaEr(MoO4)2,-8.1102810092,-2.514026508,0.0,-0.002974234,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:Er-Mo-Na-O,12.0,"Invalid WP multiplicities - AB2CD8_tI24_82_a_bc_d_3g:Er-Mo-Na-O, expected NaEr(MoO6)2 to be NaEr(MoO4)2" +mp-555973,Na5Er(MoO4)4,-7.4794510144,-2.3367600491,0.0,-0.0155614052,GGA+U,I4_1/a,AB4C5D16_tI104_88_a_f_bf_4f:Er-Mo-Na-O,52.0,"Invalid WP multiplicities - AB4C5D16_tI104_88_a_f_2b2f_26f:Er-Mo-Na-O, expected Na10Er(MoO26)4 to be Na5Er(MoO4)4" +mp-556289,Na2ErMoPO8,-7.6289645892,-2.7793313813,0.0031991412,0.0031991412,GGA+U,Ibca,ABC2D8E_oI104_73_c_d_f_4f_c:Er-Mo-Na-O-P,52.0,"Invalid WP multiplicities - ABC2D8E_oI104_73_c_d_f_30f_c:Er-Mo-Na-O-P, expected Na2ErMoPO60 to be Na2ErMoPO8" +mp-14691,NaEr(PO3)4,-7.7347094215,-2.9067250512,0.0130928846,0.0130928846,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Er-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_15e_9e:Er-Na-O-P, expected NaEr(P3O5)3 to be NaEr(PO3)4" +mp-1220907,NaSbWO7,-6.9859208075,-1.6822730333,0.2251703978,0.2251703978,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Na-O-Sb-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e4j_c_b:Na-O-Sb-W, expected NaSbWO21 to be NaSbWO7" +mp-1221059,NaSbWO6,-7.448454295,-2.1051444027,0.0142371874,0.0142371874,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_b:Na-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e4j_c_b:Na-O-Sb-W, expected NaSbWO20 to be NaSbWO6" +mp-1517995,BaNaSbWO6,-7.253385906,-2.2525095089,0.1348935596,0.1348935596,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Sb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Sb-W +mp-17394,NaYGeO4,-7.4642419814,-2.8644163947,0.0,-0.0350403664,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Y,28.0,ABC4D_oP28_62_c_a_2cd_c:Ge-Na-O-Y +mp-5042,YTiGe,-7.038224605,-0.7098942767,0.0,-0.0181250133,GGA,P4/nmm,ABC_tP6_129_c_a_c:Ge-Ti-Y,6.0,ABC_tP6_129_c_a_c:Ge-Ti-Y +mp-10455,YTiGe,-7.0127175883,-0.68438726,0.0255070167,0.0073820034,GGA,I4/mmm,ABC_tI12_139_e_c_e:Ge-Ti-Y,6.0,ABC_tI12_139_e_c_e:Ge-Ti-Y +mp-1209113,Y2TiGe2,-2.740757746,3.2741402447,4.0803974671,4.0803974671,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Ge-Ti-Y,5.0,A2BC2_tP5_123_g_a_g:Ge-Ti-Y +mp-18005,NaYTiO4,-8.43757383,-3.3702533631,0.0206162005,0.0206162005,GGA,Pbcm,AB4CD_oP28_57_d_2c2d_d_d:Na-O-Ti-Y,28.0,AB4CD_oP28_57_d_2c2d_d_d:Na-O-Ti-Y +mp-1220744,NaYTi2O6,-8.756285577,-3.4302743062,0.0123507341,0.0123507341,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Na-O-Ti-Y,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_3a6b_b_a:Na-O-Ti-Y, expected NaYTi2O15 to be NaYTi2O6" +mp-1521047,BaSmV4O12,-8.2812334317,-2.5960417711,0.2282221899,0.2282221899,GGA+U,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sm-V,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sm-V, expected BaSmV4O16 to be BaSmV4O12" +mp-1214884,Ba2SmV3O11,-8.3092858119,-3.0021193385,0.0154849185,0.0154849185,GGA+U,P2_1/c,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Sm-V,68.0,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Sm-V +mp-1516301,BaSmEuVO6,-8.657442281,-3.0915821598,0.1690898072,0.1690898072,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Eu-O-Sm-V,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Eu-O-Sm-V, expected BaSmEu2VO12 to be BaSmEuVO6" +mp-1516465,BaSmEuVO6,-8.64267548,-3.0768153588,0.1838566082,0.1838566082,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sm-V,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sm-V +mp-1520494,SmEu2VO6,-9.452742416,-3.0530796088,0.20170612,0.20170612,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sm-V,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sm-V +mp-1517444,Ba2SmVO6,-7.8446564088,-3.1125989735,0.1017308386,0.1017308386,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sm-V,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sm-V +mp-1517570,Ba2SmVO6,-7.849110385,-3.1170529498,0.0972768624,0.0972768624,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-V,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sm-V +mp-1019718,CsBe4(BO3)3,-7.6857419394,-2.9556579661,0.0,-0.0064839166,GGA,Pnma,A3B4CD9_oP68_62_cd_2d_c_c4d:B-Be-Cs-O,68.0,A3B4CD9_oP68_62_cd_2d_c_c4d:B-Be-Cs-O +mp-4262,BeAlB,-4.7738593267,-0.0523991714,0.0,-0.0255118841,GGA,F-43m,ABC_cF12_216_a_c_b:Al-B-Be,3.0,ABC_cF12_216_a_c_b:Al-B-Be +mp-540725,CsBe4Al4(B3O7)4,-8.0048256463,-2.9130839664,0.0763604422,0.0763604422,GGA,P-43m,A4B12C4DE28_cP49_215_e_h_e_a_e2i:Al-B-Be-Cs-O,49.0,A4B12C4DE28_cP49_215_e_h_e_a_e2i:Al-B-Be-Cs-O +mp-1019602,Cs2Al2B2O7,-7.38248177,-2.9772847758000003,0.0,-0.0533271283,GGA,P2_1/c,A2B2C2D7_mP26_14_e_e_e_a3e:Al-B-Cs-O,26.0,A2B2C2D7_mP26_14_e_e_e_a3e:Al-B-Cs-O +mp-1207860,Y6Nb4Al43,-4.8695593673,-0.3362799799,0.0,-0.0084804192,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Y,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Nb-Y +mp-34763,NaAlB14,-6.3062052853,-0.1449811656,0.0,-0.0921389594,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Na,32.0,"Invalid WP multiplicities - AB14C_oI64_74_a_11i11j_e:Al-B-Na, expected NaAlB66 to be NaAlB14" +mp-17473,Na2Al2As3,-3.9389308932,-0.4941369701,0.0,-0.0112131337,GGA,P2_1/c,A2B3C2_mP56_14_4e_6e_4e:Al-As-Na,56.0,A2B3C2_mP56_14_4e_6e_4e:Al-As-Na +mp-556676,Na3Al2(AsO4)3,-6.5493992076000005,-2.3095818431,0.0008391341,0.0008391341,GGA,C2,A2B3C3D12_mC160_5_2a2b2c_6c_6c_24c:Al-As-Na-O,80.0,"Invalid WP multiplicities - A2B3C3D12_mC160_5_2a2b4c_12c_11c_47c:Al-As-Na-O, expected Na11Al6As12O47 to be Na3Al2(AsO4)3" +mp-1197957,Na3Al(AsO4)2,-6.2956573754,-2.2524503603,0.0,-0.0125216122,GGA,P2_1/c,AB2C3D8_mP56_14_e_2e_3e_8e:Al-As-Na-O,56.0,AB2C3D8_mP56_14_e_2e_3e_8e:Al-As-Na-O +mp-1221428,Na2Al2B2O7,-7.421119525,-2.9502113121,5.13081e-05,-0.011199514,GGA,Cc,A2B2C2D7_mC52_9_2a_2a_2a_7a:Al-B-Na-O,26.0,"Invalid WP multiplicities - A2B2C2D7_mC52_9_2a_2a_2a_13a:Al-B-Na-O, expected Na2Al2B2O13 to be Na2Al2B2O7" +mp-1221451,Na2Al2B2O7,-7.4210205281,-2.9501123152,0.000150305,-0.0111005171,GGA,P2_1/m,A2B2C2D7_mP26_11_f_f_ae_e3f:Al-B-Na-O,26.0,"Invalid WP multiplicities - A2B2C2D7_mP26_11_f_f_ae_e12f:Al-B-Na-O, expected Na2Al2B2O25 to be Na2Al2B2O7" +mp-554041,Na2Al2B2O7,-7.4211708331,-2.9502626202,0.0,-0.0112508221,GGA,P-31c,A2B2C2D7_hP26_163_f_f_ab_ci:Al-B-Na-O,26.0,"Invalid WP multiplicities - A2B2C2D7_hP26_163_f_f_2ab_ci:Al-B-Na-O, expected Na3Al2B2O7 to be Na2Al2B2O7" +mp-560921,NaAlAs2O7,-6.6548119707,-2.1990702514,0.0,-0.0037213388,GGA,P2_1/c,AB2CD7_mP44_14_e_2e_e_7e:Al-As-Na-O,44.0,"Invalid WP multiplicities - AB2CD7_mP44_14_e_4e_e_25e:Al-As-Na-O, expected NaAlAs4O25 to be NaAlAs2O7" +mp-8543,Na3AlAs2,-3.3513371083,-0.5127723549000001,0.0,-0.0685116912,GGA,Ibam,AB2C3_oI24_72_a_j_bj:Al-As-Na,12.0,AB2C3_oI24_72_a_j_bj:Al-As-Na +mp-556195,Na2AlB(As2O7)2,-6.701917793,-2.1128208036,0.0020601335,0.0020601335,GGA,P2_1/c,AB4CD2E14_mP88_14_e_4e_e_2e_14e:Al-As-B-Na-O,88.0,"Invalid WP multiplicities - AB4CD2E14_mP88_14_e_9e_e_4e_53e:Al-As-B-Na-O, expected Na4AlBAs9O53 to be Na2AlB(As2O7)2" +mp-2230083,MgV4As2O13,-7.758622964,-2.1805682447,0.141128514,0.141128514,GGA+U,P1,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V,20.0,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V +mp-2230087,MgV4As2O13,-7.8280340495,-2.2499793302,0.0717174285,0.0717174285,GGA+U,P1,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V,20.0,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V +mp-2230024,MgV4As2O13,-7.737238982,-2.1591842627,0.162512496,0.162512496,GGA+U,P1,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V,20.0,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V +mp-2230165,MgV4As2O13,-7.8032362815,-2.2251815622,0.0965151965,0.0965151965,GGA+U,P1,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V,20.0,A2BC13D4_aP20_1_2a_a_13a_4a:As-Mg-O-V +mp-1041545,Ca3V3(AsO4)4,-7.3474024015,-2.3069404458,0.1349454469,0.1349454469,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Ca-O-V,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Ca-O-V, expected Ca3V3(As5O29)2 to be Ca3V3(AsO4)4" +mp-1041705,Mg3V3(AsO4)4,-7.1311520298,-2.1374577467,0.181299888,0.181299888,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Mg-O-V,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Mg-O-V, expected Mg3V3(As5O29)2 to be Mg3V3(AsO4)4" +mp-1023252,CaMg6V,-2.3935222475,0.1928760338,0.2450009666,0.2450009666,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-V, expected CaMg12V to be CaMg6V" +mp-1023254,CaMg6V,-2.3948672981,0.1915309831,0.2436559159,0.2436559159,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-V, expected CaMg12V to be CaMg6V" +mp-1042925,CaVAs2O7,-7.2532773623,-2.2501352042,0.0543788298,0.0543788298,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-V,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-V +mp-1227792,Ca4Mg4V3AsO20,-7.1322722763,-2.5926431963,0.1088810566,0.1088810566,GGA+U,P1,AB4C4D20E3_aP32_1_a_4a_4a_20a_3a:As-Ca-Mg-O-V,32.0,AB4C4D20E3_aP32_1_a_4a_4a_20a_3a:As-Ca-Mg-O-V +mp-1032958,CaMg6VO8,-6.6506379431,-2.8840944469,0.0906378748,0.0906378748,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-V, expected CaMg6VO12 to be CaMg6VO8" +mp-1032997,CaMg6VO8,-6.6653789537,-2.8988354575,0.0758968642,0.0758968642,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-V, expected CaMg6VO12 to be CaMg6VO8" +mp-1047070,MgVAsO5,-7.3126521644,-2.3030586542,0.083840203,0.083840203,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-V,32.0,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-V +mp-1042807,MgVAs2O7,-7.0954086159,-2.1291137151,0.0616686726,0.0616686726,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-V,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-V +mp-1028178,CaMg14V,-1.9995337912,0.0938053744,0.132191988,0.132191988,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-V, expected CaMg18V to be CaMg14V" +mp-1028167,CaMg14V,-1.9977403156,0.09559885,0.1339854636,0.1339854636,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-V, expected CaMg26V to be CaMg14V" +mp-1375686,CaVAsO5,-7.5456694078,-2.4854109189,0.0365900925,0.0365900925,GGA+U,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Ca-O-V,32.0,ABC5D_oP32_19_a_a_5a_a:As-Ca-O-V +mp-14381,CaMgV2O7,-7.9182764027,-2.7909570347,0.0042065132,0.0042065132,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Mg-O-V,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_2e_2e_17e_4e:Ca-Mg-O-V, expected Ca2Mg2V4O17 to be CaMgV2O7" +mp-1214024,CaMgVO5,-7.3351834206,-2.6572797261,0.1060895185,0.1060895185,GGA+U,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:Ca-Mg-O-V,32.0,ABC5D_oP32_19_a_a_5a_a:Ca-Mg-O-V +mp-1036361,CaMg14VO16,-6.491962185,-2.9719482466,0.042438064,0.042438064,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-V, expected CaMg18VO20 to be CaMg14VO16" +mp-1036366,CaMg14VO16,-6.4944741894,-2.9744602509,0.0399260596,0.0399260596,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-V, expected CaMg30VO32 to be CaMg14VO16" +mp-1038136,CaMg30VO32,-6.413052123,-3.0163029634,0.0179103415,0.0179103415,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-V, expected CaMg110VO72 to be CaMg30VO32" +mp-1038125,CaMg30VO32,-6.4120107197,-3.0152615602,0.0189517448,0.0189517448,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-V, expected CaMg90VO80 to be CaMg30VO32" +mp-677680,LiMgAl3(SO4)6,-6.8545740971,-2.3321409921000003,0.0169328086,0.0169328086,GGA,P-1,A3BCD24E6_aP70_2_3i_i_i_24i_6i:Al-Li-Mg-O-S,70.0,"Invalid WP multiplicities - A3BCD24E6_aP70_2_6i_i_i_47i_11i:Al-Li-Mg-O-S, expected LiMgAl6S11O47 to be LiMgAl3(SO4)6" +mp-1265272,LiMgAl3(SO4)6,-6.8606257527,-2.3381926476,0.010881153,0.010881153,GGA,P-1,A3BCD24E6_aP70_2_3i_i_i_24i_6i:Al-Li-Mg-O-S,70.0,"Invalid WP multiplicities - A3BCD24E6_aP70_2_6i_i_i_47i_11i:Al-Li-Mg-O-S, expected LiMgAl6S11O47 to be LiMgAl3(SO4)6" +mp-14646,Li2Mg2(SO4)3,-6.530844307,-2.3841064139,0.0,-0.0112920179,GGA,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Li-Mg-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_8d_2c2d:Li-Mg-O-S, expected LiMgS3O8 to be Li2Mg2(SO4)3" +mp-771289,Li3FeSiBO7,-7.1114973973,-2.4247035058,0.0781771963,0.0781771963,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Fe-Li-O-Si, expected Li4FeSiBO13 to be Li3FeSiBO7" +mp-1178297,Fe3Sb(PO4)4,-7.706211575,-2.2754076468,0.0674513486,0.0674513486,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Fe-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Fe-O-P-Sb +mp-849513,Fe2Sb(PO4)3,-7.6817761164,-2.3112641322,0.0330835653,0.0330835653,GGA+U,R-3c,A2B12C3D_hR108_167_c_2f_e_b:Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A2B12C3D_hR108_167_c_13f_e_b:Fe-O-P-Sb, expected Fe2Sb(PO26)3 to be Fe2Sb(PO4)3" +mp-776760,Ti3FeSb2(PO4)6,-7.9878087228,-2.6651741714,0.0850248435,0.0850248435,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Fe-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_2b_2a_3a:Fe-O-P-Sb-Ti, expected Ti3FeSb2(PO11)6 to be Ti3FeSb2(PO4)6" +mp-778503,Ti3Fe2Sb(PO4)6,-8.1492277711,-2.7060093317,0.0585250038,0.0585250038,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Fe-O-P-Sb-Ti, expected Ti3Fe2Sb(P3O22)3 to be Ti3Fe2Sb(PO4)6" +mp-1213459,FeSb(P2O7)2,-7.5810419105,-2.4057481888,0.0,-0.0010407387,GGA+U,Pna2_1,AB14C4D_oP80_33_a_14a_4a_a:Fe-O-P-Sb,80.0,AB14C4D_oP80_33_a_14a_4a_a:Fe-O-P-Sb +mp-771885,Fe5Sb(PO4)6,-7.8133399275,-2.3222440553,0.0191262381,0.0191262381,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-Sb, expected Fe5Sb(PO10)6 to be Fe5Sb(PO4)6" +mp-776046,TiFe3Sb2(PO4)6,-7.8071905472,-2.4526377073,0.0385355791,0.0385355791,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Fe-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_22b_2b_2a_a:Fe-O-P-Sb-Ti, expected TiFe3Sb2(PO11)6 to be TiFe3Sb2(PO4)6" +mp-861596,FeSb(PO4)2,-7.5349459612,-2.2850178651,0.0623072365,0.0623072365,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Sb,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Sb +mp-775128,Fe3Sb(PO4)6,-7.4895772015,-2.1737122315,0.0656684942,0.0656684942,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Fe-O-P-Sb,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Fe-O-P-Sb, expected Fe3Sb(PO10)6 to be Fe3Sb(PO4)6" +mp-755192,FeSb3(PO4)4,-7.3323309029,-2.2632786389,0.0885125689,0.0885125689,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Fe-O-P-Sb,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Fe-O-P-Sb +mp-774425,FeSb3(PO4)6,-7.4074640668,-2.3469532126,0.0,-0.0019184524,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Fe-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Fe-O-P-Sb, expected FeSb3(PO10)6 to be FeSb3(PO4)6" +mp-3967,NaNO,-5.8379183867,-0.9693487434,0.0843164371,0.0843164371,GGA,P2_1/c,ABC_mP24_14_2e_2e_2e:N-Na-O,24.0,"Invalid WP multiplicities - ABC_mP24_14_4e_2e_2e:N-Na-O, expected NaN2O to be NaNO" +mp-677548,Na(NO2)2,-5.7643600971,-0.3668929559,0.7576031289,0.7576031289,GGA,C2/m,A2BC4_mC14_12_i_a_j:N-Na-O,7.0,A2BC4_mC14_12_i_a_j:N-Na-O +mp-28279,Gd2NCl3,-9.4870242333,-2.4812993358,0.0,-0.0399492371,GGA,Pbcn,A3B2C_oP24_60_cd_d_c:Cl-Gd-N,24.0,"Invalid WP multiplicities - A3B2C_oP24_60_c2d_d_c:Cl-Gd-N, expected Gd2NCl5 to be Gd2NCl3" +mp-651160,Gd3NCl6,-8.7434539505,-2.57784579,0.0,-0.0086833235,GGA,P-1,A6B3C_aP20_2_ac5i_3i_i:Cl-Gd-N,20.0,"Invalid WP multiplicities - A6B3C_aP20_2_ac10i_6i_i:Cl-Gd-N, expected Gd6NCl11 to be Gd3NCl6" +mp-1173776,Na2N2O3,-5.7965192067,-0.9167896966,0.2491936361,0.2491936361,GGA,C2,A2B2C3_mC42_5_ab2c_3c_a4c:N-Na-O,21.0,A2B2C3_mC42_5_ab4c_5c_a7c:N-Na-O +mp-674942,Na3N2O9,-5.2305988521,-0.5762585570000001,0.5968697901000001,0.5968697901000001,GGA,P1,A2B3C9_aP14_1_2a_3a_9a:N-Na-O,14.0,A2B3C9_aP14_1_2a_3a_9a:N-Na-O +mp-1173724,Na2Gd4NCl9O,-7.8683309876,-2.6407102157,0.0,-0.0104356235,GGA,P2_1,A9B4CD2E_mP34_4_9a_4a_a_2a_a:Cl-Gd-N-Na-O,34.0,"Invalid WP multiplicities - A9B4CD2E_mP34_4_18a_7a_a_4a_a:Cl-Gd-N-Na-O, expected Na4Gd7NCl18O to be Na2Gd4NCl9O" +mp-1020645,Na8NO3,-3.7716609542,-0.958597337,0.1619092383,0.1619092383,GGA,Pm-3m,AB8C3_cP12_221_a_g_c:N-Na-O,12.0,AB8C3_cP12_221_a_g_c:N-Na-O +mp-1173559,NaNO2,-6.1086854612,-1.220586051,0.0296358958,0.0296358958,GGA,P-1,ABC2_aP8_2_i_i_2i:N-Na-O,8.0,"Invalid WP multiplicities - ABC2_aP8_2_i_i_4i:N-Na-O, expected NaNO4 to be NaNO2" +mp-675369,NaNO2,-4.2257584287,0.6623409815,1.9125629283,1.9125629283,GGA,P2_1/m,ABC2_mP8_11_e_e_f:N-Na-O,8.0,ABC2_mP8_11_e_e_f:N-Na-O +mp-675597,Na3NO2,-4.677912005,-0.9783373004,0.2679751769,0.2679751769,GGA,Ima2,AB3C2_oI24_46_b_bc_ab:N-Na-O,12.0,"Invalid WP multiplicities - AB3C2_oI24_46_b_2b3c_ab:N-Na-O, expected Na8NO2 to be Na3NO2" +mp-674382,Na3NO2,-4.3412006475,-0.6416259429,0.6046865344,0.6046865344,GGA,P4_2/mnm,AB3C2_tP24_136_e_cj_df:N-Na-O,24.0,"Invalid WP multiplicities - AB3C2_tP24_136_e_3c2j_2d3f:N-Na-O, expected Na7NO5 to be Na3NO2" +mp-1173683,Na3NO2,-3.8792335746,-0.1796588699,1.0666536073,1.0666536073,GGA,P4_2/mnm,AB3C2_tP24_136_e_cj_df:N-Na-O,24.0,"Invalid WP multiplicities - AB3C2_tP24_136_e_3c2j_2d3f:N-Na-O, expected Na7NO5 to be Na3NO2" +mp-685615,Na11N7O16,-5.0875966494,-0.6155301176,0.6679985046,0.6679985046,GGA,P1,A7B11C16_aP34_1_7a_11a_16a:N-Na-O,34.0,A7B11C16_aP34_1_7a_11a_16a:N-Na-O +mp-1173870,Na11N7O16,-5.1630611388,-0.690994607,0.5925340152,0.5925340152,GGA,P1,A7B11C16_aP34_1_7a_11a_16a:N-Na-O,34.0,A7B11C16_aP34_1_7a_11a_16a:N-Na-O +mp-560068,Na3NO4,-5.3964680248,-1.3851148186,0.0095926008,0.0095926008,GGA,Pbca,AB3C4_oP64_61_c_3c_4c:N-Na-O,64.0,"Invalid WP multiplicities - AB3C4_oP64_61_c_16c_25c:N-Na-O, expected Na16NO25 to be Na3NO4" +mp-675301,Na(NO)2,-5.789224327,-0.2114458138,0.799746378,0.799746378,GGA,P1,A2BC2_aP10_1_4a_2a_4a:N-Na-O,10.0,A2BC2_aP10_1_4a_2a_4a:N-Na-O +mp-1020590,Na8N3O,-3.4615496367,-0.0835183172,0.4000818606,0.4000818606,GGA,Pm-3m,A3B8C_cP12_221_c_g_a:N-Na-O,12.0,A3B8C_cP12_221_c_g_a:N-Na-O +mp-1176513,Na3NO3,-5.1919314486,-1.3141976001,0.0169119869,0.0169119869,GGA,P-42_1m,AB3C3_tP14_113_c_ae_be:N-Na-O,14.0,"Invalid WP multiplicities - AB3C3_tP14_113_c_2a2e_2b2e:N-Na-O, expected Na6NO6 to be Na3NO3" +mp-674297,NaNO3,-6.258526455,-1.3587091846,0.009446822,-0.3318932025,GGA,P1,ABC3_aP40_1_8a_8a_24a:N-Na-O,40.0,ABC3_aP40_1_8a_8a_24a:N-Na-O +mp-1173585,NaNO3,-6.255033536,-1.3552162656,0.012939741,-0.3284002835,GGA,P1,ABC3_aP20_1_4a_4a_12a:N-Na-O,20.0,ABC3_aP20_1_4a_4a_12a:N-Na-O +mp-4531,NaNO3,-6.267973277,-1.3681560066,0.0,-0.3413400245,GGA,R-3c,ABC3_hR30_167_a_b_e:N-Na-O,10.0,ABC3_hR30_167_a_b_e:N-Na-O +mp-1220986,NaNO3,-6.256889826,-1.3570725556,0.011083451,-0.3302565735,GGA,R32,ABC3_hR15_155_a_b_d:N-Na-O,5.0,ABC3_hR15_155_a_b_d:N-Na-O +mp-1077585,Na4NO,-3.618035795,-0.5224883267,0.2795650498,0.2795650498,GGA,P4/mmm,AB4C_tP6_123_a_i_d:N-Na-O,6.0,AB4C_tP6_123_a_i_d:N-Na-O +mp-1199018,Ba4CrGa2(S3F2)2,-5.6898395569,-2.4045598895,0.0499034203,0.0499034203,GGA+U,Pnma,A4BC4D2E6_oP68_62_2d_c_2d_2c_2c2d:Ba-Cr-F-Ga-S,68.0,A4BC4D2E6_oP68_62_2d_c_2d_2c_2c2d:Ba-Cr-F-Ga-S +mp-1516458,KLaInBiO6,-6.301052559,-2.0691814411,0.1927276911,0.1927276911,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-In-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-In-K-La-O +mp-1516468,KNd(NiO3)4,-5.7244702506,-0.8156170486000001,0.4303043951,0.4303043951,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:K-Nd-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:K-Nd-Ni-O, expected KNd(Ni2O9)2 to be KNd(NiO3)4" +mp-1247409,Co2PbN2,-6.719182022,0.20127248,0.260378672,0.260378672,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Co-N-Pb,5.0,A2B2C_hP5_164_d_d_a:Co-N-Pb +mp-1245608,Co(PbN)3,-5.7980808071,0.3813111614,0.4024205157,0.4024205157,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Co-N-Pb,14.0,AB3C3_hP14_176_c_h_h:Co-N-Pb +mp-1246083,Co3Pb3N5,-6.3922174005,0.3482707105,0.3885703868,0.3885703868,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Co-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Co-N-Pb +mp-1239379,Rb2CoPb(NO2)6,-6.5905788686,-1.0377940007,0.1044194717,0.1044194717,GGA+U,Fmmm,AB6C12DE2_oF88_69_a_ghi_mno_b_f:Co-N-O-Pb-Rb,22.0,"Invalid WP multiplicities - AB6C12DE2_oF88_69_a_2g2hi_2m3n3o_b_f:Co-N-O-Pb-Rb, expected Rb2CoPb(N5O16)2 to be Rb2CoPb(NO2)6" +mp-22118,Rb2CoPb(NO2)6,-6.5772064368,-1.0244215689,0.1177919036,0.1177919036,GGA+U,Fm-3,AB6C12DE2_cF88_202_a_e_h_b_c:Co-N-O-Pb-Rb,22.0,AB6C12DE2_cF88_202_a_e_h_b_c:Co-N-O-Pb-Rb +mp-1246081,Co2Pb3N4,-6.1508124919,0.3714715636,0.4043083369,0.4043083369,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Co-N-Pb,36.0,A2B4C3_oP36_52_cd_2e_ce:Co-N-Pb +mp-1517190,Eu2YSbO6,-9.065125677,-2.9861648549,0.0793521412,0.0793521412,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Sb-Y +mp-1523338,NaEuYSbO6,-7.838131101,-2.6526179296,0.1860584898,0.1860584898,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-Y +mp-39511,LiCaTa2O6F,-8.7829727677,-3.3991828367,0.0300188441,0.0300188441,GGA,Imma,ABCD6E2_oI44_74_a_e_c_2ej_bd:Ca-F-Li-O-Ta,22.0,"Invalid WP multiplicities - ABCD6E2_oI44_74_a_e_c_4e4j_2bd:Ca-F-Li-O-Ta, expected LiCaTa3O20F to be LiCaTa2O6F" +mp-558235,CaTaF7,-6.8721718713,-3.8450907288,0.0,-0.0545123246,GGA,P2_1/c,AB7C_mP108_14_3e_21e_3e:Ca-F-Ta,108.0,"Invalid WP multiplicities - AB7C_mP108_14_10e_83e_9e:Ca-F-Ta, expected Ca10Ta9F83 to be CaTaF7" +mp-1227686,Ca3Ta4(O6F)2,-9.1334744514,-3.5796109929,0.0181149586,0.0097543043,GGA,R-3m,A3B2C12D4_hR63_166_e_c_2h_ad:Ca-F-O-Ta,21.0,"Invalid WP multiplicities - A3B2C12D4_hR63_166_e_c_9h_ad:Ca-F-O-Ta, expected Ca3Ta4(O27F)2 to be Ca3Ta4(O6F)2" +mp-560378,Ca3Ta4(O6F)2,-9.15158941,-3.5977259514,0.0,-0.0083606543,GGA,P4_332,A3B2C12D4_cP84_212_d_c_2e_ad:Ca-F-O-Ta,84.0,"Invalid WP multiplicities - A3B2C12D4_cP84_212_d_c_22e_4a4d:Ca-F-O-Ta, expected Ca3Ta16(O66F)2 to be Ca3Ta4(O6F)2" +mp-14560,Ca2Ta2O6F,-8.8448699055,-3.452291155,0.0755097592,0.0755097592,GGA,Fd-3m,A2BC6D2_cF88_227_c_a_f_d:Ca-F-O-Ta,22.0,A2BC6D2_cF88_227_c_a_f_d:Ca-F-O-Ta +mp-1207991,Y2TiSi2,-2.546513484,3.7893005767,4.5233667067,4.5233667067,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Si-Ti-Y,5.0,A2BC2_tP5_123_g_a_g:Si-Ti-Y +mp-1163922,Y2Ti3(SiO4)3,-8.6844984038,-3.0717165587,0.3256647344,0.3256647344,GGA,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:O-Si-Ti-Y,80.0,A12B3C3D2_cI160_230_h_d_c_a:O-Si-Ti-Y +mp-22179,YTiSi,-7.24450601,-0.6487456233000001,0.0,-0.0057068126,GGA,P4/nmm,ABC_tP6_129_c_a_c:Si-Ti-Y,6.0,ABC_tP6_129_c_a_c:Si-Ti-Y +mp-1257812,Y4Ti13Si2(SbO14)2,-8.8584668837,-3.0192178403,0.2739457837,0.2739457837,GGA,P1,A28B2C2D13E4_aP49_1_28a_2a_2a_13a_4a:O-Sb-Si-Ti-Y,49.0,A28B2C2D13E4_aP49_1_28a_2a_2a_13a_4a:O-Sb-Si-Ti-Y +mp-1353589,Y4Ti13Si2(SbO14)2,-8.740650158,-2.9014011146,0.3917625094,0.3917625094,GGA,C2/m,A28B2C2D13E4_mC98_12_2i6j_g_i_a2g2j_j:O-Sb-Si-Ti-Y,49.0,"Invalid WP multiplicities - A28B2C2D13E4_mC98_12_4i21j_g_i_a4g7j_j:O-Sb-Si-Ti-Y, expected Y4Ti37Si2(SbO46)2 to be Y4Ti13Si2(SbO14)2" +mp-676855,In(HO)3,-5.4397433236,-1.4726107523,0.0778996014,0.0677700111,GGA,P1,A3BC3_aP28_1_12a_4a_12a:H-In-O,28.0,A3BC3_aP28_1_12a_4a_12a:H-In-O +mp-757982,In(HO)3,-5.4605764314,-1.4934438602,0.0570664936,0.0469369032,GGA,P1,A3BC3_aP28_1_12a_4a_12a:H-In-O,28.0,A3BC3_aP28_1_12a_4a_12a:H-In-O +mp-1340868,In(HO)3,-2.0261376493,1.940994922,3.4915052757,3.4813756854,GGA,P1,A3BC3_aP28_1_12a_4a_12a:H-In-O,28.0,A3BC3_aP28_1_12a_4a_12a:H-In-O +mp-626411,In(HO)3,-5.5176429250000005,-1.5505103538,0.0,-0.0101295904,GGA,R-3,A3BC3_hR84_148_2f_ae_2f:H-In-O,28.0,"Invalid WP multiplicities - A3BC3_hR84_148_4f_a2e_4f:H-In-O, expected In7(HO)24 to be In(HO)3" +mp-626412,In(HO)3,-5.5176422968,-1.5505097255,6.282e-07,-0.0101289621,GGA,R-3,A3BC3_hR84_148_2f_ae_2f:H-In-O,28.0,"Invalid WP multiplicities - A3BC3_hR84_148_6f_ae_6f:H-In-O, expected In(HO)9 to be In(HO)3" +mp-504535,InHO2,-5.74357262,-1.7341258206,0.0027663729,0.0027663729,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:H-In-O,8.0,ABC2_oP8_31_a_a_2a:H-In-O +mp-632711,InHO2,-5.73314685,-1.7237000506,0.0131921429,0.0131921429,GGA,Pnnm,ABC2_oP8_58_a_c_g:H-In-O,8.0,ABC2_oP8_58_a_c_g:H-In-O +mp-1188681,InHO2,-5.7035286762,-1.6940818769,0.0428103167,0.0428103167,GGA,P2_13,ABC2_cP16_198_a_a_2a:H-In-O,16.0,ABC2_cP16_198_a_a_2a:H-In-O +mp-1105641,InHO2,-5.6972519725,-1.6878051731,0.0490870204,0.0490870204,GGA,Pa-3,ABC2_cP16_205_a_b_c:H-In-O,16.0,ABC2_cP16_205_a_b_c:H-In-O +mp-1210406,NaInH12(SeO7)2,-5.399511399,-1.3650985165,0.0,-0.0016876692,GGA,P-1,A12BCD14E2_aP60_2_12i_ab_i_14i_2i:H-In-Na-O-Se,60.0,A12BCD14E2_aP60_2_12i_ab_i_14i_2i:H-In-Na-O-Se +mp-1210806,NaInH6(SeO4)2,-4.7035674769,-0.7593509248,0.6745867301,0.6745867301,GGA,P-1,A6BCD8E2_aP36_2_6i_ab_i_8i_2i:H-In-Na-O-Se,36.0,A6BCD8E2_aP36_2_6i_ab_i_8i_2i:H-In-Na-O-Se +mp-1213630,In2H5(SeO4)3,-5.1812500025,-0.985113791,0.4323777921,0.4323777921,GGA,P-1,A5B2C12D3_aP44_2_5i_abi_12i_3i:H-In-O-Se,44.0,A5B2C12D3_aP44_2_5i_abi_12i_3i:H-In-O-Se +mp-560404,InHSeO4,-5.7361052993,-1.5322372853,0.0,-0.008564317,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:H-In-O-Se,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_13i_4i:H-In-O-Se, expected In3H3Se4O13 to be InHSeO4" +mp-1224482,InHSeO4,-5.6148593043,-1.4109912903,0.121245995,0.112681678,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:H-In-O-Se,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_9a_a:H-In-O-Se, expected InHSeO9 to be InHSeO4" +mp-1518664,KLaNb2O6,-8.644711213,-3.051796373,0.0600124604,0.0600124604,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:K-La-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:K-La-Nb-O +mp-554034,KLa2NbO6,-8.5041748805,-3.4277898341,0.0,-0.0617939919,GGA,C2/m,AB2CD6_mC40_12_i_2i_i_gi2j:K-La-Nb-O,20.0,"Invalid WP multiplicities - AB2CD6_mC40_12_i_2i_i_2gi6j:K-La-Nb-O, expected KLa2NbO15 to be KLa2NbO6" +mp-1518732,KLaNb4O12,-8.9877384189,-3.1093000441,0.0699767253,0.0699767253,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:K-La-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:K-La-Nb-O, expected KLaNb4O18 to be KLaNb4O12" +mp-559549,K2LaNb5O15,-8.8394228304,-3.106220184,0.0072757444,0.0072757444,GGA,P4/mbm,A2BC5D15_tP46_127_g_a_cj_dhi2j:K-La-Nb-O,46.0,"Invalid WP multiplicities - A2BC5D15_tP46_127_g_a_2c2j_2d4h5i11j:K-La-Nb-O, expected K2LaNb10O74 to be K2LaNb5O15" +mp-1223501,KLaNb2O7,-8.7276623718,-3.1934953617,0.0463003014,0.0463003014,GGA,Amm2,ABC2D7_oC22_38_a_a_2b_2a5b:K-La-Nb-O,11.0,ABC2D7_oC22_38_a_a_2b_2a5b:K-La-Nb-O +mp-1048016,Sr2YGaSn2O7,-6.7686527258,-2.4979205157,0.2401900229,0.2401900229,GGA,P1,AB7C2D2E_aP26_1_2a_14a_4a_4a_2a:Ga-O-Sn-Sr-Y,26.0,AB7C2D2E_aP26_1_2a_14a_4a_4a_2a:Ga-O-Sn-Sr-Y +mp-29588,Nd3(BN2)2,-8.2354791556,-1.4566785401,0.0,-0.0384634917,GGA,Immm,A2B4C3_oI18_71_e_n_cg:B-N-Nd,9.0,A2B4C3_oI18_71_e_n_cg:B-N-Nd +mp-695553,Ba4Nd7Si12BN27,-8.0490751929,-1.4231633715,0.0073662812,0.0073662812,GGA,P-6,AB4C27D7E12_hP51_174_b_cj_2j3k2l_a2k_2j2k:B-Ba-N-Nd-Si,51.0,"Invalid WP multiplicities - AB4C27D7E12_hP51_174_b_c2j_6j8k6l_a4k_5j6k:B-Ba-N-Nd-Si, expected Ba7Nd13Si33BN78 to be Ba4Nd7Si12BN27" +mp-1192144,NdBN2,-8.5489717133,-1.51883945,0.0,-0.0206552021,GGA,R-3c,AB2C_hR72_167_e_2e_e:B-N-Nd,24.0,AB2C_hR72_167_e_2e_e:B-N-Nd +mp-631544,BaSiB,-3.51169758,1.1628640003,1.5509955086,1.5509955086,GGA,F-43m,ABC_cF12_216_a_b_c:B-Ba-Si,3.0,ABC_cF12_216_a_b_c:B-Ba-Si +mp-567918,Ba2Nd7Si11N23,-8.1555385974,-1.4431464227,0.0175260127,0.0175260127,GGA,Cmmm,A2B23C7D11_oC172_65_ik_eghjlopq3r_gmoq_hnopr:Ba-N-Nd-Si,86.0,"Invalid WP multiplicities - A2B23C7D11_oC172_65_i2k_2e2g2hj2l4o3p4q22r_2g3m4o4q_2h4n4o3p5r:Ba-N-Nd-Si, expected Ba3Nd24Si44N119 to be Ba2Nd7Si11N23" +mp-1213441,CsNaMo(HO2)2,-5.5047686283,-1.1007925494,0.6796205488,0.6796205488,GGA+U,P2_12_12_1,AB2CDE4_oP36_19_a_2a_a_a_4a:Cs-H-Mo-Na-O,36.0,AB2CDE4_oP36_19_a_2a_a_a_4a:Cs-H-Mo-Na-O +mp-1202861,Na2Mo(H2O3)4,-5.6555559212,-1.3080440259,0.017002564,0.017002564,GGA+U,P2_1/c,A8BC2D12_mP92_14_8e_e_2e_12e:H-Mo-Na-O,92.0,A8BC2D12_mP92_14_8e_e_2e_12e:H-Mo-Na-O +mp-1210611,Na2Mo(HO2)2,-5.5354476757,-1.0840134944,0.6771151733,0.6771151733,GGA+U,Pbca,A2BC2D4_oP72_61_2c_c_2c_4c:H-Mo-Na-O,72.0,A2BC2D4_oP72_61_2c_c_2c_4c:H-Mo-Na-O +mp-733457,CsNa2(H5O3)3,-5.0584705116,-1.3935985843,0.0034265751,0.0034265751,GGA,Pca2_1,AB15C2D9_oP108_29_a_15a_2a_9a:Cs-H-Na-O,108.0,AB15C2D9_oP108_29_a_15a_2a_9a:Cs-H-Na-O +mp-1204588,CsNaMoO6,-6.0014640322,-1.2521629163,0.4450095199,0.4450095199,GGA+U,P2_12_12_1,ABCD6_oP36_19_a_a_a_6a:Cs-Mo-Na-O,36.0,ABCD6_oP36_19_a_a_a_6a:Cs-Mo-Na-O +mp-1213570,CsNaMo3O10,-7.6544543745,-2.039670034,0.050465141,0.050465141,GGA+U,Pnma,AB3CD10_oP60_62_c_cd_c_4c3d:Cs-Mo-Na-O,60.0,AB3CD10_oP60_62_c_cd_c_4c3d:Cs-Mo-Na-O +mp-603572,Na2Mo(H2O3)2,-5.9662173152,-1.6014683041,0.1511276533,0.1511276533,GGA+U,Pbca,A4BC2D6_oP104_61_4c_c_2c_6c:H-Mo-Na-O,104.0,"Invalid WP multiplicities - A4BC2D6_oP104_61_23c_c_9c_37c:H-Mo-Na-O, expected Na9MoH23O37 to be Na2Mo(H2O3)2" +mp-1182757,Na2Mo(H2O3)2,-6.1145023334,-1.7497533223,0.0028426351,0.0028426351,GGA+U,Pbca,A4BC2D6_oP104_61_4c_c_2c_6c:H-Mo-Na-O,104.0,"Invalid WP multiplicities - A4BC2D6_oP104_61_23c_c_9c_37c:H-Mo-Na-O, expected Na9MoH23O37 to be Na2Mo(H2O3)2" +mp-1173616,Nd5Te7WCl3O23,-6.9555069883,-2.3882900913,0.0,-0.0120263501,GGA+U,C2,A3B5C23D7E_mC156_5_2a2bc_2a4c_23c_7c_c:Cl-Nd-O-Te-W,78.0,"Invalid WP multiplicities - A3B5C23D7E_mC156_5_2a2bc_2a6c_33c_10c_c:Cl-Nd-O-Te-W, expected Nd7Te10W(ClO11)3 to be Nd5Te7WCl3O23" +mp-1198077,Te3WCl4O,-4.8543497554,-0.9955849486,0.0444374243,0.0444374243,GGA+U,P2_1/c,A4BC3D_mP144_14_16e_4e_12e_4e:Cl-O-Te-W,144.0,A4BC3D_mP144_14_16e_4e_12e_4e:Cl-O-Te-W +mp-1209888,Nd3W(ClO2)3,-7.9193207842,-3.11252734,0.0,-0.0248487093,GGA+U,P6_3/m,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-W,26.0,A3B3C6D_hP26_176_h_h_i_c:Cl-Nd-O-W +mp-554313,Nd2Te2W2O13,-8.0621769803,-2.4808022246,0.0,-0.0003361705,GGA+U,P-1,A2B13C2D2_aP38_2_2i_13i_2i_2i:Nd-O-Te-W,38.0,"Invalid WP multiplicities - A2B13C2D2_aP38_2_3i_26i_2i_4i:Nd-O-Te-W, expected Nd3Te2(W2O13)2 to be Nd2Te2W2O13" +mp-697593,Te7WCl5O,-4.2472838832,-0.7365236336000001,0.0302755304,0.0302755304,GGA+U,Pcca,A5BC7D_oP56_54_c2f_d_b3f_d:Cl-O-Te-W,56.0,"Invalid WP multiplicities - A5BC7D_oP56_54_4c12f_d_3b15f_d:Cl-O-Te-W, expected Te33WCl28O to be Te7WCl5O" +mp-1190515,Gd2CuTe2(SO7)2,-7.79418185,-2.2672959153,0.0,-0.1101180246,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Gd-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Gd-O-S-Te +mp-626977,Si2H2O3,-6.1121871724,-1.4727365605,0.6748332436000001,0.6748332436000001,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627114,Si2H2O3,-6.1195952864,-1.4801446745,0.6674251296,0.6674251296,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627123,Si2H2O3,-6.1773372067,-1.5378865948,0.6096832094,0.6096832094,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627141,Si2H2O3,-6.1406099984,-1.5011593865,0.6464104176000001,0.6464104176000001,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627206,Si2H2O3,-6.1533697953,-1.5139191833,0.6336506208,0.6336506208,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627314,Si2H2O3,-6.1925374397,-1.5530868278,0.5944829764,0.5944829764,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627334,Si2H2O3,-6.1955725679,-1.5561219559,0.5914478482000001,0.5914478482000001,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-627349,Si2H2O3,-6.2189845849,-1.5795339729,0.5680358312,0.5680358312,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-1179422,Si2H2O3,-6.2120633946,-1.5726127826,0.5749570215,0.5749570215,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-1179509,Si2H2O3,-6.2022019154,-1.5627513035,0.5848185006000001,0.5848185006000001,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-1179527,Si2H2O3,-6.1601144934,-1.5206638815,0.6269059226,0.6269059226,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,A2B3C2_aP70_1_20a_30a_20a:H-O-Si +mp-1248872,Si2H2O3,-6.4038034879,-1.7643528759,0.3832169282,0.3832169282,GGA,P1,A2B3C2_aP70_1_20a_30a_20a:H-O-Si,70.0,"Invalid WP multiplicities - A2B3C2_mC140_9_14a_22a_15a:H-O-Si, expected Si15(H7O11)2 to be Si2H2O3" +mp-1179424,Si2H2O3,-6.0659320837,-1.4264814718,0.7210883324,0.7210883324,GGA,Cc,A2B3C2_mC140_9_10a_15a_10a:H-O-Si,70.0,"Invalid WP multiplicities - A2B3C2_mC140_9_14a_22a_15a:H-O-Si, expected Si15(H7O11)2 to be Si2H2O3" +mp-1179458,Si2H2O3,-6.1100752886,-1.4706246766,0.6769451275,0.6769451275,GGA,Cc,A2B3C2_mC140_9_10a_15a_10a:H-O-Si,70.0,"Invalid WP multiplicities - A2B3C2_mC140_9_14a_22a_15a:H-O-Si, expected Si15(H7O11)2 to be Si2H2O3" +mp-1179481,Si2H2O3,-6.1195645504,-1.4801139385,0.6674558656,0.6674558656,GGA,Cc,A2B3C2_mC140_9_10a_15a_10a:H-O-Si,70.0,"Invalid WP multiplicities - A2B3C2_mC140_9_13a_22a_15a:H-O-Si, expected Si15H13O22 to be Si2H2O3" +mp-1261785,Si2H2O3,-6.133197042,-1.49374643,0.6538233741,0.6538233741,GGA,Cc,A2B3C2_mC140_9_10a_15a_10a:H-O-Si,70.0,"Invalid WP multiplicities - A2B3C2_mC140_9_13a_22a_15a:H-O-Si, expected Si15H13O22 to be Si2H2O3" +mp-1199781,Si2H2O3,-6.7679084503,-2.1284578383,0.0191119658,0.0191119658,GGA,Pbca,A2B3C2_oP336_61_12c_18c_12c:H-O-Si,336.0,A2B3C2_oP336_61_12c_18c_12c:H-O-Si +mp-24431,Si2H2O3,-6.7654600136,-2.1260094016,0.0215604025,0.0215604025,GGA,R-3,A2B3C2_hR84_148_cf_2f_cf:H-O-Si,28.0,A2B3C2_hR84_148_cf_2f_cf:H-O-Si +mp-995230,Cs2Si(HO2)2,-5.8887679833,-2.1345091268,0.0614236905,0.0614236905,GGA,P-1,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-H-O-Si,18.0,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-H-O-Si +mp-1259944,Cs2Si(HO2)2,-5.9097078672,-2.1554490107,0.0404838066,0.0404838066,GGA,P-1,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-H-O-Si,18.0,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-H-O-Si +mp-1219307,SiH2O,-4.931318415,-0.6419537072,0.6652693831000001,0.6652693831000001,GGA,P1,A2BC_aP4_1_2a_a_a:H-O-Si,4.0,A2BC_aP4_1_2a_a_a:H-O-Si +mp-675098,SiH2O,-4.938125755,-0.6487610472,0.6584620431,0.6584620431,GGA,Cm,A2BC_mC8_8_2a_a_a:H-O-Si,4.0,A2BC_mC8_8_2a_a_a:H-O-Si +mp-1173298,SiH2O,-4.83077578,-0.5414110722000001,0.7658120181,0.7658120181,GGA,Cm,A2BC_mC8_8_2a_a_a:H-O-Si,4.0,A2BC_mC8_8_2a_a_a:H-O-Si +mp-1226125,CsSi2HO5,-7.2211633622,-2.7909180252,0.0,-0.0220727829,GGA,P2_12_12_1,ABC5D2_oP36_19_a_a_5a_2a:Cs-H-O-Si,36.0,ABC5D2_oP36_19_a_a_5a_2a:Cs-H-O-Si +mp-557780,CsSi2HO5,-7.2159006947,-2.7856553577,0.0052626675,-0.0168101154,GGA,Pnma,ABC5D2_oP36_62_c_a_c2d_d:Cs-H-O-Si,36.0,"Invalid WP multiplicities - ABC5D2_oP36_62_c_a_4c13d_d:Cs-H-O-Si, expected CsSi2HO30 to be CsSi2HO5" +mp-1203710,Ti2Si(H2O3)3,-7.0978910592,-2.3149545739,0.0382398679,0.0382398679,GGA,P4_2/mbc,A6B9CD2_tP144_135_2h2i_f2h3i_g_i:H-O-Si-Ti,144.0,"Invalid WP multiplicities - A6B9CD2_tP144_135_12h10i_4f8h36i_g_i:H-O-Si-Ti, expected Ti2Si(H8O21)4 to be Ti2Si(H2O3)3" +mp-758180,CsSi3HO7,-7.5070645519,-2.9078225947,0.0023739465,0.0023739465,GGA,P2_12_12_1,ABC7D3_oP48_19_a_a_7a_3a:Cs-H-O-Si,48.0,"Invalid WP multiplicities - ABC7D3_oP48_19_a_a_25a_9a:Cs-H-O-Si, expected CsSi9HO25 to be CsSi3HO7" +mp-627944,Si4H2O9,-7.6785800818,-2.8114519078,0.0593845677,0.0593845677,GGA,P1,A2B9C4_aP60_1_8a_36a_16a:H-O-Si,60.0,A2B9C4_aP60_1_8a_36a_16a:H-O-Si +mp-627632,Si4H2O9,-7.6949723407,-2.8278441666000003,0.0429923088,0.0429923088,GGA,C2/c,A2B9C4_mC120_15_2f_9f_2e3f:H-O-Si,60.0,"Invalid WP multiplicities - A2B9C4_mC120_15_5f_23f_3e6f:H-O-Si, expected Si15(H5O23)2 to be Si4H2O9" +mp-627867,Si4H2O9,-7.5647143287,-2.6975861546,0.1732503208,0.1732503208,GGA,Fdd2,A2B9C4_oF240_43_2b_9b_2a3b:H-O-Si,60.0,"Invalid WP multiplicities - A2B9C4_oF240_43_2b_31b_4a8b:H-O-Si, expected Si10H2O31 to be Si4H2O9" +mp-6748,Cs2Ti(Si2O5)3,-8.0494931327,-3.1978874823,0.0,-0.040868975,GGA,Cc,A2B15C6D_mC96_9_2a_15a_6a_a:Cs-O-Si-Ti,48.0,A2B15C6D_mC96_9_2a_15a_6a_a:Cs-O-Si-Ti +mp-559460,Cs2Ti(Si2O5)3,-8.0444989842,-3.1928933338,0.0049941485,-0.0358748264,GGA,C2/c,A2B15C6D_mC96_15_f_e7f_3f_c:Cs-O-Si-Ti,48.0,"Invalid WP multiplicities - A2B15C6D_mC96_15_f_2e27f_10f_c:Cs-O-Si-Ti, expected Cs2Ti(Si5O14)4 to be Cs2Ti(Si2O5)3" +mp-626085,Si2H2O5,-7.1755673189,-2.4678415737,0.1381978258,0.1381978258,GGA,P1,A2B5C2_aP18_1_4a_10a_4a:H-O-Si,18.0,A2B5C2_aP18_1_4a_10a_4a:H-O-Si +mp-626037,Si2H2O5,-7.2784326517,-2.5707069065,0.0353324931,0.0353324931,GGA,C2,A2B5C2_mC36_5_2c_ab4c_2c:H-O-Si,18.0,A2B5C2_mC36_5_2c_ab4c_2c:H-O-Si +mp-626083,Si2H2O5,-7.2680364522,-2.5603107071,0.0457286925,0.0457286925,GGA,Cc,A2B5C2_mC36_9_2a_5a_2a:H-O-Si,18.0,"Invalid WP multiplicities - A2B5C2_mC36_9_3a_7a_3a:H-O-Si, expected Si3H3O7 to be Si2H2O5" +mp-27949,Si2H6O,-4.6249029828,-0.6078273115,0.0457927792,0.0457927792,GGA,P2_12_12_1,A6BC2_oP36_19_6a_a_2a:H-O-Si,36.0,A6BC2_oP36_19_6a_a_2a:H-O-Si +mp-560944,Cs4Ba(PO3)6,-7.163188354,-2.7831608964,0.0,-0.0109365832,GGA,P31c,AB4C18D6_hP58_159_b_bc_6c_2c:Ba-Cs-O-P,58.0,"Invalid WP multiplicities - AB4C18D6_hP58_159_b_bc_29c_10c:Ba-Cs-O-P, expected Cs4Ba(P10O29)3 to be Cs4Ba(PO3)6" +mp-1105940,Ba(InP)2,-4.21085724,-0.5610677573,0.0,-0.0190591012,GGA,P2_1/m,AB2C2_mP20_11_2e_4e_4e:Ba-In-P,20.0,AB2C2_mP20_11_2e_4e_4e:Ba-In-P +mp-1019603,Cs2BaP2O7,-6.9857562465,-2.8888224401,0.0,-0.0222397153,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Ba-Cs-O-P,48.0,AB2C7D2_mP48_14_e_2e_7e_2e:Ba-Cs-O-P +mp-16464,CsIn(PO3)4,-7.2969639562,-2.5935994748,0.0,-0.0079868753,GGA,Pa-3,ABC12D4_cP216_205_ac_bc_6d_2d:Cs-In-O-P,216.0,ABC12D4_cP216_205_ac_bc_6d_2d:Cs-In-O-P +mp-19913,Ba3(InP2)2,-4.4455040739000005,-0.7884482620000001,0.0,-0.02936424,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ba-In-P,18.0,A3B2C4_mC36_15_ef_f_2f:Ba-In-P +mp-1019605,Cs2Ba3(P2O7)2,-7.3256633778,-3.0450293975,0.0042459062,0.0042459062,GGA,P2_12_12_1,A3B2C14D4_oP92_19_3a_2a_14a_4a:Ba-Cs-O-P,92.0,A3B2C14D4_oP92_19_3a_2a_14a_4a:Ba-Cs-O-P +mp-1205018,BaIn2(P2O7)2,-7.3960882371,-2.7137456474,0.0,-0.0196932985,GGA,C2/c,AB2C14D4_mC84_15_c_ae_7f_2f:Ba-In-O-P,42.0,AB2C14D4_mC84_15_a_ce_7f_2f:Ba-In-O-P +mp-642642,Ba2(InP)5,-4.2154382531,-0.4935314978,0.0083245285,0.0083245285,GGA,Pnma,A2B5C5_oP48_62_2c_5c_5c:Ba-In-P,48.0,"Invalid WP multiplicities - A2B5C5_oP48_62_6c_17c_16c:Ba-In-P, expected Ba6In17P16 to be Ba2(InP)5" +mp-1232408,Cs3In3(PO4)4,-6.8429667015,-2.5452171741000003,0.0,-0.0234640183,GGA,C2/c,A3B3C16D4_mC104_15_cf_ef_8f_2f:Cs-In-O-P,52.0,A3B3C16D4_mC104_15_af_ef_8f_2f:Cs-In-O-P +mp-532541,CsBaIn2(PO4)3,-7.1207283837,-2.7039959191,0.0047440968,0.0047440968,GGA,P2_13,ABC2D12E3_cP76_198_a_a_2a_4b_b:Ba-Cs-In-O-P,76.0,"Invalid WP multiplicities - ABC2D12E3_cP76_198_a_a_5a_37b_b:Ba-Cs-In-O-P, expected CsBaIn5(PO37)3 to be CsBaIn2(PO4)3" +mp-1200796,Ba3In2(PO4)4,-7.4129534722,-2.9305326047,0.0,-0.0089663849,GGA,P2_1/c,A3B2C16D4_mP50_14_ae_e_8e_2e:Ba-In-O-P,50.0,A3B2C16D4_mP50_14_ae_e_8e_2e:Ba-In-O-P +mp-1198384,Cs3InP2,-3.0315056313,-0.3207563213,0.0,-0.0364239776,GGA,P-1,A3BC2_aP48_2_12i_4i_8i:Cs-In-P,48.0,A3BC2_aP48_2_12i_4i_8i:Cs-In-P +mp-1200734,CsInP2O7,-7.0729238632,-2.6092409455,0.0,-0.042707408,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cs-In-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cs-In-O-P +mp-1215000,Ba2In2(PO4)3,-7.2162993701,-2.7456946651000003,0.0870136002,0.0870136002,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Ba-In-O-P,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Ba-In-O-P +mp-1223769,K4Ta3NbO12,-8.4931514885,-3.0193265759,0.003726256,0.003726256,GGA,R-3m,A4BC12D3_hR60_166_2c_a_2h_bc:K-Nb-O-Ta,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_166_3c_a_7h_b2c:K-Nb-O-Ta, expected K6Ta5NbO42 to be K4Ta3NbO12" +mp-1077704,K5Na3Ta3Nb5O20,-8.0059050366,-2.6022049552,0.1846210031,0.1846210031,GGA,P1,A5B3C5D20E3_aP144_1_20a_12a_20a_80a_12a:K-Na-Nb-O-Ta,144.0,A5B3C5D20E3_aP144_1_20a_12a_20a_80a_12a:K-Na-Nb-O-Ta +mp-1076895,K5Na3Ta2Nb6O20,-7.9350733007,-2.5801641246,0.1759270892,0.1759270892,GGA,P1,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:K-Na-Nb-O-Ta,144.0,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:K-Na-Nb-O-Ta +mp-1075953,K5Na3Ta5Nb3O24,-8.423552368,-2.9777297941,0.0143052853,0.0143052853,GGA,P1,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:K-Na-Nb-O-Ta,40.0,A5B3C3D24E5_aP40_1_5a_3a_3a_24a_5a:K-Na-Nb-O-Ta +mp-1076335,K5Na3Nb8O24,-8.055232226,-2.8289687259000003,0.0240657723,0.0240657723,GGA,P4/mmm,A5B3C8D24_tP40_123_abcf_de_r_jkst:K-Na-Nb-O,40.0,"Invalid WP multiplicities - A5B3C8D24_tP40_123_abcf_de_r_4j4k3s3t:K-Na-Nb-O, expected K5Na3Nb8O80 to be K5Na3Nb8O24" +mp-1224011,K2NaNb3O9,-8.0652080877,-2.8407123071,0.0127722703,0.0127722703,GGA,Pm,A2BC3D9_mP30_6_4a_2a_6b_6a12b:K-Na-Nb-O,30.0,A2BC3D9_mP30_6_4a_2a_6b_6a12b:K-Na-Nb-O +mp-1099712,K5Na3Ta2Nb6O24,-8.2019350837,-2.8878479541,0.0209719049,0.0209719049,GGA,Amm2,A5B3C6D24E2_oC80_38_a2be_ad_cf_2a2bde4f_c:K-Na-Nb-O-Ta,40.0,"Invalid WP multiplicities - A5B3C6D24E2_oC80_38_a2be_ad_cf_2a2b2d2e8f_c:K-Na-Nb-O-Ta, expected K5Na3Ta2Nb6O44 to be K5Na3Ta2Nb6O24" +mp-1100141,K5Na3Ta7NbO20,-8.2558768855,-2.657013183,0.1917268789,0.1917268789,GGA,P1,A5B3CD20E7_aP144_1_20a_12a_4a_80a_28a:K-Na-Nb-O-Ta,144.0,A5B3CD20E7_aP144_1_20a_12a_4a_80a_28a:K-Na-Nb-O-Ta +mp-1076413,K5Na3Ta7NbO24,-8.571694575,-3.0380483716,0.0093092478,0.0093092478,GGA,Cm,A5B3CD24E7_mC80_8_3ab_ab_a_4a10b_3a2b:K-Na-Nb-O-Ta,40.0,"Invalid WP multiplicities - A5B3CD24E7_mC80_8_3ab_ab_a_4a20b_3a4b:K-Na-Nb-O-Ta, expected K5Na3Ta11NbO44 to be K5Na3Ta7NbO24" +mp-1099860,K5Na3Ta6Nb2O24,-8.4977164215,-3.0079820329,0.0117143166,0.0117143166,GGA,Pm,A5B3C2D24E6_mP40_6_2a3b_2ab_c_4a4b8c_3c:K-Na-Nb-O-Ta,40.0,"Invalid WP multiplicities - A5B3C2D24E6_mP40_6_2a3b_2ab_c_4a4b16c_6c:K-Na-Nb-O-Ta, expected K5Na3Ta12Nb2O40 to be K5Na3Ta6Nb2O24" +mp-1076887,K5Na3TaNb7O20,-7.8642280569,-2.5581097861,0.1672466833,0.1672466833,GGA,P1,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:K-Na-Nb-O-Ta,144.0,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:K-Na-Nb-O-Ta +mp-1076095,K5Na3Ta4Nb4O24,-8.3495803925,-2.9476696334,0.0167041761,0.0167041761,GGA,Cm,A5B3C4D24E4_mC80_8_3ab_ab_2ab_4a10b_2ab:K-Na-Nb-O-Ta,40.0,"Invalid WP multiplicities - A5B3C4D24E4_mC80_8_3ab_ab_2ab_4a20b_2ab:K-Na-Nb-O-Ta, expected K5Na3Ta4Nb4O44 to be K5Na3Ta4Nb4O24" +mp-1224551,K4NaNb5O15,-8.0647567288,-2.8459176508,0.0090071804,0.0090071804,GGA,Pm,A4BC5D15_mP50_6_8a_2a_10b_10a20b:K-Na-Nb-O,50.0,A4BC5D15_mP50_6_8a_2a_10b_10a20b:K-Na-Nb-O +mp-1100247,K5Na3Ta5Nb3O20,-8.1378019486,-2.6365200567,0.2039784943,0.2039784943,GGA,P1,A5B3C3D20E5_aP144_1_20a_12a_12a_80a_20a:K-Na-Nb-O-Ta,144.0,A5B3C3D20E5_aP144_1_20a_12a_12a_80a_20a:K-Na-Nb-O-Ta +mp-1076512,K5Na3Ta3Nb5O24,-8.2756981378,-2.9176991934,0.0190133461,0.0190133461,GGA,P1,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:K-Na-Nb-O-Ta,40.0,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:K-Na-Nb-O-Ta +mp-1076363,K5Na3TaNb7O24,-8.128490424,-2.8583151091000003,0.0226120694,0.0226120694,GGA,Cm,A5B3C7D24E_mC80_8_3ab_ab_3a2b_4a10b_a:K-Na-Nb-O-Ta,40.0,"Invalid WP multiplicities - A5B3C7D24E_mC80_8_3ab_ab_3a4b_4a20b_a:K-Na-Nb-O-Ta, expected K5Na3TaNb11O44 to be K5Na3TaNb7O24" +mp-1099903,K5Na3Ta6Nb2O20,-8.196555951,-2.6464831538,0.1999993415,0.1999993415,GGA,P1,A5B3C2D20E6_aP144_1_20a_12a_8a_80a_24a:K-Na-Nb-O-Ta,144.0,A5B3C2D20E6_aP144_1_20a_12a_8a_80a_24a:K-Na-Nb-O-Ta +mp-1223364,KNaNb2O6,-8.06721572,-2.8356490612,0.016035199,0.016035199,GGA,Pm,ABC2D6_mP10_6_a_a_2b_2a4b:K-Na-Nb-O,10.0,ABC2D6_mP10_6_a_a_2b_2a4b:K-Na-Nb-O +mp-1520807,KNaNb4O12,-8.3547832178,-2.6770938325,0.1065768428,0.1065768428,GGA,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:K-Na-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:K-Na-Nb-O, expected KNaNb4O16 to be KNaNb4O12" +mp-1099857,K5Na3Ta4Nb4O20,-8.077055394,-2.6245644074000003,0.1929962953,0.1929962953,GGA,P1,A5B3C4D20E4_aP144_1_20a_12a_16a_80a_16a:K-Na-Nb-O-Ta,144.0,A5B3C4D20E4_aP144_1_20a_12a_16a_80a_16a:K-Na-Nb-O-Ta +mp-1076510,K5Na3Ta8O24,-8.6462187523,-3.0686607341,0.0063581553,0.0063581553,GGA,P4/mmm,A5B3C24D8_tP40_123_abcf_de_jkst_r:K-Na-O-Ta,40.0,"Invalid WP multiplicities - A5B3C24D8_tP40_123_abcf_de_4j4k3s3t_r:K-Na-O-Ta, expected K5Na3Ta8O80 to be K5Na3Ta8O24" +mp-1207110,K2TaNbO6,-8.346332276,-2.9603309928,0.007399299,0.007399299,GGA,P4/mmm,A2BC6D_tP10_123_h_a_efg_b:K-Nb-O-Ta,10.0,A2BC6D_tP10_123_h_a_efg_b:K-Nb-O-Ta +mp-1207114,K2TaNbO6,-8.346772075,-2.9607707918,0.0069594999999999,0.0069594999999999,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:K-Nb-O-Ta,10.0,A2BC6D_cF40_225_c_a_e_b:K-Nb-O-Ta +mp-29167,Sr(NiP)2,-5.5993350393,-0.784060674,0.0,-0.0067575049,GGA,Immm,A2B2C_oI30_71_fm_em_ai:Ni-P-Sr,15.0,"Invalid WP multiplicities - A2B2C_oI30_71_f2m_2e2m_ai:Ni-P-Sr, expected Sr3(Ni5P6)2 to be Sr(NiP)2" +mp-17551,SrNiP2O7,-7.5583290375,-2.747142117,0.0,-0.0013677505,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ni-O-P-Sr,44.0,AB7C2D_mP44_14_e_7e_2e_e:Ni-O-P-Sr +mp-3084,Sc2Ni12P7,-6.4655313986,-0.7550696883,0.0,-0.0702608456,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Sc,21.0,"Invalid WP multiplicities - A12B7C2_hP21_174_2j3k_a2jk_cf:Ni-P-Sc, expected Sc2(Ni3P2)5 to be Sc2Ni12P7" +mp-1658552,SrNi(PO4)2,-7.1907381358,-2.3682593994,0.1499542078,0.1499542078,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ni-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Ni-O-P-Sr, expected SrNi(PO7)2 to be SrNi(PO4)2" +mp-1345027,SrNi(PO4)2,-2.7879332004,2.034545536,4.5527591432,4.5527591432,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ni-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Ni-O-P-Sr, expected SrNi(PO7)2 to be SrNi(PO4)2" +mp-1189201,Sr2ScNiPO3,-6.881689775,-2.4135696085,0.2374498427,0.2374498427,GGA+U,P4/nmm,AB3CDE2_tP16_129_a_cf_c_c_2c:Ni-O-P-Sc-Sr,16.0,AB3CDE2_tP16_129_a_cf_c_c_2c:Ni-O-P-Sc-Sr +mp-541294,SrNi9P5,-6.0427543717,-0.6576052979,0.0,-0.0300890918,GGA,P6_3/mmc,A9B5C_hP30_194_hk_fh_a:Ni-P-Sr,30.0,A9B5C_hP30_194_hk_fh_a:Ni-P-Sr +mp-680220,Sr(Ni5P3)2,-6.0352878691,-0.625248146,0.0080322471,0.0080322471,GGA,Pnma,A10B6C_oP68_62_4c3d_4cd_c:Ni-P-Sr,68.0,"Invalid WP multiplicities - A10B6C_oP68_62_15c20d_16c6d_c:Ni-P-Sr, expected SrNi55P28 to be Sr(Ni5P3)2" +mp-16156,Sr(Ni5P3)2,-6.0392026568,-0.6291629336,0.0041174594,0.0041174594,GGA,Cmce,A10B6C_oC68_64_e2fg_e2f_a:Ni-P-Sr,34.0,"Invalid WP multiplicities - A10B6C_oC68_64_3e4fg_2e2f_a:Ni-P-Sr, expected Sr(Ni9P4)2 to be Sr(Ni5P3)2" +mp-14884,Sr2Ni(PO4)2,-7.5277487863,-2.9462689178,0.0,-0.0190332661,GGA+U,P2_1/c,AB8C2D2_mP78_14_ae_12e_3e_3e:Ni-O-P-Sr,78.0,"Invalid WP multiplicities - AB8C2D2_mP78_14_ae_13e_3e_3e:Ni-O-P-Sr, expected Sr6Ni3(P3O13)2 to be Sr2Ni(PO4)2" +mp-795830,SrNi2(PO4)2,-3.0435900658,1.8525546663,4.3818963039,4.3818963039,GGA+U,P-1,A2B8C2D_aP26_2_2i_8i_2i_i:Ni-O-P-Sr,26.0,A2B8C2D_aP26_2_2i_8i_2i_i:Ni-O-P-Sr +mp-18252,SrNi2(PO4)2,-7.4227803146,-2.5266355826,0.0027060551,0.0027060551,GGA+U,P-1,A2B8C2D_aP26_2_2i_8i_2i_i:Ni-O-P-Sr,26.0,"Invalid WP multiplicities - A2B8C2D_aP26_2_3i_9i_2i_i:Ni-O-P-Sr, expected SrNi3P2O9 to be SrNi2(PO4)2" +mp-1342532,SrNi2(PO4)2,-4.8939736704,0.0021710617,2.5315126993,2.5315126993,GGA+U,P-1,A2B8C2D_aP26_2_2i_8i_2i_i:Ni-O-P-Sr,26.0,"Invalid WP multiplicities - A2B8C2D_aP26_2_3i_9i_2i_i:Ni-O-P-Sr, expected SrNi3P2O9 to be SrNi2(PO4)2" +mp-1103788,Sr(NiP2)2,-5.6281730243,-0.6420334757,0.0,-0.0304252742,GGA,Fddd,A2B4C_oF56_70_e_h_a:Ni-P-Sr,14.0,A2B4C_oF56_70_e_h_a:Ni-P-Sr +mp-19211,SrNi3(P2O7)2,-7.4968494998,-2.4997242508,0.0,-0.0124426399,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Ni-O-P-Sr,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Ni-O-P-Sr +mp-18632,SrNi5P3,-5.91074099,-0.7073982819,0.0,-0.0282351646,GGA,Cmcm,A5B3C_oC36_63_a2f_cf_c:Ni-P-Sr,18.0,"Invalid WP multiplicities - A5B3C_oC36_63_a3f_cf_c:Ni-P-Sr, expected SrNi7P3 to be SrNi5P3" +mp-17557,Sr3ScNiO6,-7.1174034805,-2.8572927157,0.0,-0.0158652027,GGA+U,R-3c,AB6CD3_hR66_167_b_f_a_e:Ni-O-Sc-Sr,22.0,AB6CD3_hR66_167_b_f_a_e:Ni-O-Sc-Sr +mp-10240,ScNiP,-7.0454482992,-1.2034788686,0.0,-0.1671667867,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-P-Sc,12.0,ABC_oP12_62_c_c_c:Ni-P-Sc +mp-961675,ScNiP,-6.87664537,-1.0346759394,0.1688029292,0.0016361424,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-P-Sc,3.0,ABC_cF12_216_c_a_b:Ni-P-Sc +mp-1037184,BaYMg30O32,-6.2968797809,-2.9423815573,0.1207912882,0.1207912882,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Y, expected BaYMg110O72 to be BaYMg30O32" +mp-1037082,BaYMg30O32,-6.2889795684,-2.9344813448,0.1286915007,0.1286915007,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Y, expected BaYMg90O80 to be BaYMg30O32" +mp-1028025,BaYMg14,-1.8614132119,0.0629222102,0.1230357475,0.1230357475,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ba-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ba-Mg-Y, expected BaYMg18 to be BaYMg14" +mp-1028057,BaYMg14,-1.8726195256,0.0517158965,0.1118294337,0.1118294337,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ba-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ba-Mg-Y, expected BaYMg26 to be BaYMg14" +mp-1035954,BaYMg14O16,-6.2441035444,-2.8085914777000003,0.2637139138,0.2637139138,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Y, expected BaYMg18O20 to be BaYMg14O16" +mp-1035885,BaYMg14O16,-6.2589866469,-2.8234745802,0.2488308113,0.2488308113,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Y, expected BaYMg30O32 to be BaYMg14O16" +mp-1027963,YMg14Sb,-2.1475991338,-0.0851370679,0.0890578289,0.0890578289,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Y, expected YMg18Sb to be YMg14Sb" +mp-1027946,YMg14Sb,-2.1086638462,-0.0462017804,0.1279931164,0.1279931164,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Y, expected YMg26Sb to be YMg14Sb" +mp-2217319,Ba2YMgSbO6,-6.7035793482,-2.5477762072,0.4736587853,0.4736587853,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Sb-Y,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_e2l_a_b:Ba-Mg-O-Sb-Y, expected Ba2YMgSbO10 to be Ba2YMgSbO6" +mp-2241296,Ba2YMgSbO6,-6.9505409855,-2.7947378445,0.2266971481,0.2266971481,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Sb-Y,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Sb-Y, expected Ba2YMgSbO15 to be Ba2YMgSbO6" +mp-1520458,Ba2YSbO6,-7.4910816188,-3.0797261687,0.0012451103,-0.0992675533,GGA,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sb-Y,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sb-Y +mp-14226,Ba2YSbO6,-5.414525812,-1.0031703619,2.077800917,1.9772882534,GGA,Fm-3m,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Y,10.0,A2B6CD_cF40_225_c_d_a_b:Ba-O-Sb-Y +mp-6492,Ba2YSbO6,-7.492326729,-3.0809712789,0.0,-0.1005126636,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sb-Y +mp-1395169,Ba2YSb3O8,-6.7863482064,-2.3388528919,0.3034757028,0.3034757028,GGA,P4/mmm,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-Sb-Y,14.0,"Invalid WP multiplicities - A2B8C3D_tP14_123_h_2e2g2i_b2g_c:Ba-O-Sb-Y, expected Ba2YSb5O16 to be Ba2YSb3O8" +mp-1032588,BaYMg6O8,-6.2086174962,-2.6110777435,0.4794927402,0.4794927402,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Y, expected BaYMg6O12 to be BaYMg6O8" +mp-1032663,BaYMg6O8,-6.2745344806,-2.6769947279,0.4135757558,0.4135757558,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Y, expected BaYMg6O12 to be BaYMg6O8" +mp-1022620,YMg6Sb,-2.68642781,-0.1617837283,0.1668333894,0.1668333894,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Y, expected YMg12Sb to be YMg6Sb" +mp-1022628,YMg6Sb,-2.6758340769,-0.1511899952,0.1774271226,0.1774271226,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Y, expected YMg12Sb to be YMg6Sb" +mp-1022806,BaYMg6,-2.1556481281,0.092742666,0.1756122635,0.1756122635,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ba-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ba-Mg-Y, expected BaYMg12 to be BaYMg6" +mp-1099269,BaYMg6,-2.152157745,0.0962330492,0.1791026467,0.1791026467,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ba-Mg-Y,8.0,AB6C_oC16_38_a_abde_b:Ba-Mg-Y +mp-1223333,KSr2(BiO3)3,-6.023052482,-1.987649039,0.0560868252,0.0560868252,GGA,P-3m1,A3BC9D2_hP15_164_bd_a_ei_d:Bi-K-O-Sr,15.0,"Invalid WP multiplicities - A3BC9D2_hP15_164_b2d_a_2e2i_d:Bi-K-O-Sr, expected KSr2Bi5O18 to be KSr2(BiO3)3" +mp-1223221,KSrBi2O5,-5.8324443444,-1.9197427648,0.1159370517,0.1159370517,GGA,P4/mmm,A2BC5D_tP9_123_h_b_ci_a:Bi-K-O-Sr,9.0,A2BC5D_tP9_123_h_b_ci_a:Bi-K-O-Sr +mp-1521832,KSrTbBiO6,-6.4840908715,-2.3886028817,0.059860352,0.059860352,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Bi-K-O-Sr-Tb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Bi-K-O-Sr-Tb, expected K2SrTbBiO12 to be KSrTbBiO6" +mp-1521635,KSrTbBiO6,-6.460831065,-2.3653430752,0.0831201585,0.0831201585,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-Tb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-Tb +mp-1223282,KSr(BiO3)2,-5.925730195,-1.9096299022,0.0200349068,0.0200349068,GGA,I-42m,A2BC6D_tI20_121_d_a_ci_b:Bi-K-O-Sr,10.0,A2BC6D_tI20_121_d_a_ci_b:Bi-K-O-Sr +mp-557524,Cs3Mo4P3O16,-7.6236183788,-2.1830132075,0.2014871335,0.2014871335,GGA+U,P-43m,A3B4C16D3_cP26_215_c_e_ei_d:Cs-Mo-O-P,26.0,"Invalid WP multiplicities - A3B4C16D3_cP26_215_c_e_3e4i_d:Cs-Mo-O-P, expected Cs3Mo4(PO20)3 to be Cs3Mo4P3O16" +mp-1201373,Cs2Mo5(P3O11)3,-7.9965242469,-2.5275547505,0.0015879072,0.0015879072,GGA+U,P-1,A2B5C33D9_aP98_2_aci_5i_33i_9i:Cs-Mo-O-P,98.0,A2B5C33D9_aP98_2_aci_5i_33i_9i:Cs-Mo-O-P +mp-560938,Cs3Mo5P6O25,-7.9197749441,-2.4566598034,0.0503630648,0.0503630648,GGA+U,P31c,A3B5C25D6_hP78_159_c_abc_b8c_2c:Cs-Mo-O-P,78.0,"Invalid WP multiplicities - A3B5C25D6_hP78_159_c_2ab2c_b41c_6c:Cs-Mo-O-P, expected Cs3Mo9(P9O62)2 to be Cs3Mo5P6O25" +mp-581150,Cs2Te10Mo9,-6.866766779,-0.6365422711000001,0.0,-0.0139008212,GGA,R-3,A2B9C10_hR126_148_2c_3f_c3f:Cs-Mo-Te,42.0,"Invalid WP multiplicities - A2B9C10_hR126_148_2c_16f_2c17f:Cs-Mo-Te, expected Cs2Te53Mo48 to be Cs2Te10Mo9" +mp-1200603,Cs4Te(PO6)3,-5.9272651131,-1.6193720475000002,0.2772171046,0.2772171046,GGA,P2_1/m,A4B18C3D_mP52_11_2ef_4e7f_ef_e:Cs-O-P-Te,52.0,A4B18C3D_mP52_11_2ef_4e7f_ef_e:Cs-O-P-Te +mp-572395,CsMo2P2O11,-7.8791417055,-2.3899614911,0.0,-0.0034414224,GGA+U,P2_1/c,AB2C11D2_mP64_14_e_2e_11e_2e:Cs-Mo-O-P,64.0,AB2C11D2_mP64_14_e_2e_11e_2e:Cs-Mo-O-P +mp-541428,CsMo(PO4)2,-7.6980421394,-2.5196115406,0.0,-0.005636133,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Cs-Mo-O-P,48.0,ABC8D2_mP48_14_e_e_8e_2e:Cs-Mo-O-P +mp-1198887,Cs3Te13Mo12,-6.6594840052,-0.4560202534,0.1809580906,0.1809580906,GGA,R-3,A3B12C13_hR168_148_3c_4f_c4f:Cs-Mo-Te,56.0,A3B12C13_hR168_148_3c_4f_c4f:Cs-Mo-Te +mp-18496,CsMoP2O7,-7.7946335448,-2.5951355017,0.0,-0.0620085023,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cs-Mo-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cs-Mo-O-P +mp-562767,Cs2Te(MoO4)3,-7.3831724594,-2.003654376,0.0124881242,0.0124881242,GGA+U,P6_3,A2B3C12D_hP36_173_2b_c_4c_a:Cs-Mo-O-Te,36.0,"Invalid WP multiplicities - A2B3C12D_hP36_173_4b_c_17c_a:Cs-Mo-O-Te, expected Cs4Te(MoO17)3 to be Cs2Te(MoO4)3" +mp-1104612,Cs(TeMo)3,-6.6117068614,-0.4885253783,0.1497611847,0.1497611847,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cs-Mo-Te,14.0,AB3C3_hP14_176_c_h_h:Cs-Mo-Te +mp-1196773,Cs2Mo3P5O19,-7.8923184467,-2.5343407529,0.0061974783,0.0061974783,GGA+U,P2_1/m,A2B3C19D5_mP58_11_ae_ef_3e8f_e2f:Cs-Mo-O-P,58.0,A2B3C19D5_mP58_11_ae_ef_3e8f_e2f:Cs-Mo-O-P +mp-18527,CsMoPO6,-7.5877482653,-2.3839163479,0.0,-0.0171620388,GGA+U,Fddd,ABC6D_oF144_70_e_f_3h_g:Cs-Mo-O-P,36.0,"Invalid WP multiplicities - ABC6D_oF144_70_e_f_7h_g:Cs-Mo-O-P, expected CsMoPO14 to be CsMoPO6" +mp-558321,CsMo4(PO4)7,-7.976434787,-2.4594746802,0.0,-0.0090527717,GGA+U,P-1,AB4C28D7_aP80_2_i_4i_28i_7i:Cs-Mo-O-P,80.0,"Invalid WP multiplicities - AB4C28D7_aP80_2_i_8i_55i_13i:Cs-Mo-O-P, expected CsMo8P13O55 to be CsMo4(PO4)7" +mp-581635,Cs3Te17Mo15,-6.8734623437,-0.6218292308000001,0.0009486319,0.0009486319,GGA,P6_3/m,A3B15C17_hP70_176_ce_h2i_fh2i:Cs-Mo-Te,70.0,"Invalid WP multiplicities - A3B15C17_hP70_176_2c3e_4h16i_3f6h15i:Cs-Mo-Te, expected Cs4(Te19Mo18)3 to be Cs3Te17Mo15" +mp-572886,Cs3Mo5P7O24,-7.8337932237,-2.3587136267,0.1191487928,0.1191487928,GGA+U,P31c,A3B5C24D7_hP78_159_c_abc_8c_b2c:Cs-Mo-O-P,78.0,"Invalid WP multiplicities - A3B5C24D7_hP78_159_c_2a2b5c_43c_b7c:Cs-Mo-O-P, expected Cs3Mo19P22O129 to be Cs3Mo5P7O24" +mp-1214995,Cs2Mo3P3O17,-7.7812100951,-2.3947552677,0.0,-0.0069700281,GGA+U,P2_1/c,A2B3C17D3_mP100_14_2e_3e_17e_3e:Cs-Mo-O-P,100.0,A2B3C17D3_mP100_14_2e_3e_17e_3e:Cs-Mo-O-P +mp-1226530,CsMo2P3O13,-7.8935826397,-2.4655003577,0.0053909784,-0.0036696376,GGA+U,P1,AB2C13D3_aP38_1_2a_4a_26a_6a:Cs-Mo-O-P,38.0,AB2C13D3_aP38_1_2a_4a_26a_6a:Cs-Mo-O-P +mp-1199248,CsMo2P3O13,-7.8989736182,-2.4708913361,0.0,-0.0090606161,GGA+U,P2_1,AB2C13D3_mP76_4_2a_4a_26a_6a:Cs-Mo-O-P,76.0,AB2C13D3_mP76_4_2a_4a_26a_6a:Cs-Mo-O-P +mp-559919,CsMo2P3O13,-7.8948921663,-2.4668098843,0.0040814518,-0.0049791642,GGA+U,P2/c,AB2C13D3_mP38_13_f_g_e6g_eg:Cs-Mo-O-P,38.0,"Invalid WP multiplicities - AB2C13D3_mP38_13_f_g_2e20g_e2g:Cs-Mo-O-P, expected CsMo2P5O42 to be CsMo2P3O13" +mp-18193,CsTe7Mo6,-6.8858772704,-0.60213125,0.0,-0.0012024479,GGA,R-3,AB6C7_hR84_148_c_2f_c2f:Cs-Mo-Te,28.0,AB6C7_hR84_148_c_2f_c2f:Cs-Mo-Te +mp-622048,Cs3Mo6(P5O19)2,-7.9640747149,-2.527806226,0.0,-0.0048356128,GGA+U,P-1,A3B6C38D10_aP57_2_ai_3i_19i_5i:Cs-Mo-O-P,57.0,"Invalid WP multiplicities - A3B6C38D10_aP57_2_ai_5i_38i_9i:Cs-Mo-O-P, expected Cs3Mo10(P9O38)2 to be Cs3Mo6(P5O19)2" +mp-1199233,Cs2TePO10,-5.5153648534,-1.2429148351,0.3666829625,0.3666829625,GGA,P2_1/c,A2B10CD_mP56_14_2e_10e_e_e:Cs-O-P-Te,56.0,A2B10CD_mP56_14_2e_10e_e_e:Cs-O-P-Te +mp-2218213,MgCo(WO4)2,-8.357548075,-2.1743507421,0.0714228575,0.0714228575,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W +mp-2218237,MgCo(WO4)2,-8.3650473767,-2.1818500437,0.0639235558,0.0639235558,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W +mp-2218119,MgCo(WO4)2,-8.2763052967,-2.0931079637,0.1526656358,0.1526656358,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Co-Mg-O-W +mp-2218172,MgCo(WO4)2,-8.3121821708,-2.1289848379,0.1167887617,0.1167887617,GGA+U,P-1,ABC8D2_aP12_2_a_b_4i_i:Co-Mg-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_a_b_8i_i:Co-Mg-O-W, expected MgCo(WO8)2 to be MgCo(WO4)2" +mp-1277050,Mg2CoWO6,-7.6185693735,-2.3238553342,0.0848827758,0.0848827758,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Co-Mg-O-W,20.0,AB2C6D_hR30_146_a_2a_2b_a:Co-Mg-O-W +mp-1292643,Mg2CoWO6,-7.6477792255,-2.3530651862,0.0556729238,0.0556729238,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Co-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Co-Mg-O-W +mp-1047117,Mg2CoWO6,-7.686015386,-2.3913013467,0.0174367633,0.0174367633,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Co-Mg-O-W,20.0,AB2C6D_hR30_146_a_2a_2b_a:Co-Mg-O-W +mp-2240961,MgCo2(WO4)2,-8.0730615731,-1.8187011277,0.2543206565,0.2543206565,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Co-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Co-Mg-O-W +mp-2215968,Sr2MgCoWO6,-7.3562785091,-2.3812014864,0.3365495895,0.3365495895,GGA+U,P-1,ABC6D2E_aP11_2_c_a_3i_i_d:Co-Mg-O-Sr-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_c_a_4i_i_d:Co-Mg-O-Sr-W, expected Sr2MgCoWO8 to be Sr2MgCoWO6" +mp-2220684,Sr2MgCoWO6,-7.3290577327,-2.3539807101,0.3637703659,0.3637703659,GGA+U,P-1,ABC6D2E_aP11_2_c_a_3i_i_d:Co-Mg-O-Sr-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_c_a_4i_i_d:Co-Mg-O-Sr-W, expected Sr2MgCoWO8 to be Sr2MgCoWO6" +mp-1100917,VCu6AgMo5O24,-6.6439130384,-0.982818938,0.5999423751,0.5999423751,GGA+U,P1,AB6C5D24E_aP37_1_a_6a_5a_24a_a:Ag-Cu-Mo-O-V,37.0,AB6C5D24E_aP37_1_a_6a_5a_24a_a:Ag-Cu-Mo-O-V +mp-1100940,VCu6AgMo5O24,-7.2180267614,-1.556932661,0.0258286521,0.0258286521,GGA+U,P1,AB6C5D24E_aP37_1_a_6a_5a_24a_a:Ag-Cu-Mo-O-V,37.0,AB6C5D24E_aP37_1_a_6a_5a_24a_a:Ag-Cu-Mo-O-V +mp-1214864,Al2Ga2Bi2O9,-6.859021493,-2.4757868019,0.0,-0.0057035376,GGA,Pbam,A2B2C2D9_oP30_55_f_h_g_aghi:Al-Bi-Ga-O,30.0,A2B2C2D9_oP30_55_f_h_g_aghi:Al-Bi-Ga-O +mp-1228996,Al2Ga2Bi2O9,-6.8464587933,-2.4632241023,0.0125626997,0.0068591621,GGA,Pbam,A2B2C2D9_oP30_55_g_h_f_aghi:Al-Bi-Ga-O,30.0,A2B2C2D9_oP30_55_g_h_f_aghi:Al-Bi-Ga-O +mp-1228994,AlGa2Bi(BO3)4,-7.615637967,-2.6296335358,0.0180052244,0.0180052244,GGA,C2,AB4CD2E12_mC40_5_a_2bc_a_c_2b5c:Al-B-Bi-Ga-O,20.0,"Invalid WP multiplicities - AB4CD2E12_mC40_5_a_2bc_a_c_2b8c:Al-B-Bi-Ga-O, expected AlGa2Bi(B2O9)2 to be AlGa2Bi(BO3)4" +mp-1214839,Al3Bi(BO3)4,-7.997354326,-2.9396019141,0.0098480952,0.0098480952,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Bi-O,20.0,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Bi-O +mp-14382,CaV2CoO7,-8.0754669205,-2.4474168483,0.005927084,0.005927084,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ca-Co-O-V,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_3e_2e_17e_7e:Ca-Co-O-V, expected Ca3V7Co2O17 to be CaV2CoO7" +mp-1283096,CaV4(CoO4)3,-8.024063774,-2.07274167,0.1849552461,0.1849552461,GGA+U,P-1,AB3C12D4_aP40_2_i_abehi_12i_cdfg2i:Ca-Co-O-V,40.0,"Invalid WP multiplicities - AB3C12D4_aP40_2_i_a2cei_24i_ad2e2i:Ca-Co-O-V, expected CaV4(CoO8)3 to be CaV4(CoO4)3" +mp-1304535,CaV4(CoO4)3,-8.1052176428,-2.1538955388,0.1038013773,0.1038013773,GGA+U,C2/m,AB3C12D4_mC40_12_a_bcd_2i2j_ef:Ca-Co-O-V,40.0,"Invalid WP multiplicities - AB3C12D4_mC40_12_a_b2cd_2i2j_ef:Ca-Co-O-V, expected CaV4(CoO3)4 to be CaV4(CoO4)3" +mp-1274218,CaV4(CoO4)3,-7.9858623258,-2.0345402218,0.2231566943,0.2231566943,GGA+U,R-3,AB3C12D4_hR60_148_a_e_2f_bd:Ca-Co-O-V,40.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Co-O-V +mp-1189284,CaV4(CoO4)3,-8.1573564235,-2.2060343195,0.0516625966,0.0516625966,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Co-O-V,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Co-O-V +mp-1214146,Ca3V3(CoO6)2,-7.8831027231,-2.5408318244,0.0576806665,0.0576806665,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Co-O-V,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Co-O-V +mp-16967,CaV4(AgO6)2,-7.6462823971,-2.2059349918,0.0,-0.0076660884,GGA+U,P4/nbm,A2BC12D4_tP38_125_e_a_mn_l:Ag-Ca-O-V,38.0,"Invalid WP multiplicities - A2BC12D4_tP38_125_e_a_m2n_l:Ag-Ca-O-V, expected CaV4(AgO10)2 to be CaV4(AgO6)2" +mp-726140,Ca2V3Co2AgO12,-7.5365396091,-2.1529209042,0.1621250138,0.1621250138,GGA+U,I4_1/acd,AB2C2D12E3_tI160_142_b_e_c_3g_ae:Ag-Ca-Co-O-V,80.0,"Invalid WP multiplicities - AB2C2D12E3_tI160_142_b_e_c_37g_2a3e:Ag-Ca-Co-O-V, expected Ca2V8Co2AgO148 to be Ca2V3Co2AgO12" +mp-1337690,CaV4(CoO7)2,-7.9321561424,-2.131608442,0.0914098533,0.0914098533,GGA+U,P2_1/c,AB2C14D4_mP84_14_e_2e_14e_4e:Ca-Co-O-V,84.0,"Invalid WP multiplicities - AB2C14D4_mP84_14_e_2e_17e_7e:Ca-Co-O-V, expected CaV7Co2O17 to be CaV4(CoO7)2" +mp-775197,Mn3Nb(PO4)4,-8.3560844192,-2.589935239,0.0594782236,0.0594782236,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Mn-Nb-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Mn-Nb-O-P +mp-20249,MnCoP,-7.8704142617,-0.6425357304,0.0,-0.1239325943,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Mn-P,12.0,ABC_oP12_62_c_c_c:Co-Mn-P +mp-775181,Mn3Nb(PO4)6,-7.9595000412,-2.4069207757,0.0304941076,0.0304941076,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Mn-Nb-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Mn-Nb-O-P, expected Mn3Nb(PO10)6 to be Mn3Nb(PO4)6" +mp-1221741,Mn3CoP4,-7.6385571412,-0.6076104290000001,0.0074496813,0.0074496813,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Co-Mn-P,8.0,AB3C4_mP8_6_a_a2b_2a2b:Co-Mn-P +mp-757859,Mn3Co(PO4)6,-7.5796096794,-2.1150594506,0.0888190232,0.0888190232,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Co-Mn-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_18b_2b:Co-Mn-O-P, expected Mn3Co(PO9)6 to be Mn3Co(PO4)6" +mp-1211127,Mn2Co3(PO5)4,-7.3255987141,-1.8002204996,0.1930609757,0.1930609757,GGA+U,C2/c,A3B2C20D4_mC116_15_ef_f_10f_2f:Co-Mn-O-P,58.0,A3B2C20D4_mC116_15_ef_f_10f_2f:Co-Mn-O-P +mp-757439,Mn3NbCo2(PO4)6,-8.0096817558,-2.370672572,0.1111522088,0.1111522088,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Co-Mn-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_20b_2b:Co-Mn-Nb-O-P, expected Mn3NbCo2(PO10)6 to be Mn3NbCo2(PO4)6" +mp-775218,MnNb3(PO4)6,-8.3879945144,-2.7801629108,0.0,-0.0083502617,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Mn-Nb-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Mn-Nb-O-P, expected MnNb3(PO10)6 to be MnNb3(PO4)6" +mp-775179,MnCo3(PO4)4,-7.6141678358,-2.1438679157,0.0388457667,0.0388457667,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Mn-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Mn-O-P +mp-757412,Mn3Co(PO4)4,-7.9387678017,-2.2973264234,0.0590752192,0.0590752192,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Mn-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Mn-O-P +mp-776750,Mn7Nb(PO4)12,-7.8342655457,-2.2954993648,0.0557981302,0.0557981302,GGA+U,P1,A7BC48D12_aP68_1_7a_a_48a_12a:Mn-Nb-O-P,68.0,A7BC48D12_aP68_1_7a_a_48a_12a:Mn-Nb-O-P +mp-772128,Mn5Nb(PO4)6,-8.2904782183,-2.5373747292,0.0433161202,0.0433161202,GGA+U,R3,A5BC24D6_hR108_146_5a_a_8b_2b:Mn-Nb-O-P,36.0,"Invalid WP multiplicities - A5BC24D6_hR108_146_5a_a_20b_2b:Mn-Nb-O-P, expected Mn5Nb(PO10)6 to be Mn5Nb(PO4)6" +mp-771641,Mn5Co(PO4)6,-8.0030057319,-2.3330407774,0.0523088586,0.0523088586,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Co-Mn-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Co-Mn-O-P, expected Mn5Co(PO10)6 to be Mn5Co(PO4)6" +mp-775270,MnCo(PO4)2,-7.7955789571,-2.2397083079,0.0298493546,0.0298493546,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Co-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Co-Mn-O-P, expected MnCo(PO5)3 to be MnCo(PO4)2" +mp-771988,MnCo(PO4)2,-7.7408044961,-2.1849338469,0.0846238156,0.0846238156,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Co-Mn-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Co-Mn-O-P, expected MnCo(PO10)2 to be MnCo(PO4)2" +mp-754252,MnNb(PO4)2,-8.4516966119,-2.6464103589,0.0925638399,0.0925638399,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Mn-Nb-O-P,48.0,ABC8D2_mP24_11_e_e_4e2f_2e:Mn-Nb-O-P +mp-1221679,MnCoP2,-7.3880247275,-0.6137902024,0.0,-0.0138196069,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Co-Mn-P,8.0,ABC2_oP8_26_a_b_ab:Co-Mn-P +mp-758047,Mn7Co(PO4)12,-7.6490547807,-2.1543031181,0.0802261721,0.0802261721,GGA+U,P1,AB7C48D12_aP68_1_a_7a_48a_12a:Co-Mn-O-P,68.0,AB7C48D12_aP68_1_a_7a_48a_12a:Co-Mn-O-P +mp-17867,Mn2NbP12,-6.6057991623,-0.3801347821,0.0,-0.0041306593,GGA,C2/c,A2BC12_mC60_15_f_e_6f:Mn-Nb-P,30.0,"Invalid WP multiplicities - A2BC12_mC60_15_f_e_7f:Mn-Nb-P, expected Mn2NbP14 to be Mn2NbP12" +mp-1211298,Mn3Co2(PO5)4,-7.482361876,-1.8861665065,0.178985849,0.178985849,GGA+U,C2/c,A2B3C20D4_mC116_15_f_ef_10f_2f:Co-Mn-O-P,58.0,A2B3C20D4_mC116_15_f_ef_10f_2f:Co-Mn-O-P +mp-757011,Mn2Co(PO4)3,-7.8510388094,-2.2381210075,0.0893326417,0.0893326417,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Co-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Co-Mn-O-P, expected Mn2Co(PO26)3 to be Mn2Co(PO4)3" +mp-20335,MnNbP,-9.0383699217,-0.8128289754,0.0,-0.1422237346,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Nb-P,12.0,ABC_oP12_62_c_c_c:Mn-Nb-P +mp-25293,Li3Cu2(WO4)4,-7.7697860656,-1.973597176,0.050293344,0.050293344,GGA+U,P1,A2B3C16D4_aP25_1_2a_3a_16a_4a:Cu-Li-O-W,25.0,A2B3C16D4_aP25_1_2a_3a_16a_4a:Cu-Li-O-W +mp-851095,Li4Mn3Cu3(WO8)2,-7.32033733,-1.8745288588,0.0656491876,0.0656491876,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Mn-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Mn-O-W, expected Li4Mn3Cu3(WO10)2 to be Li4Mn3Cu3(WO8)2" +mp-756533,Li4Cu3WO8,-6.2311112331,-1.7020517708,0.1131294456,0.1131294456,GGA+U,P-1,A3B4C8D_aP16_2_acf_bdeg_4i_h:Cu-Li-O-W,16.0,"Invalid WP multiplicities - A3B4C8D_aP16_2_acf_bdeg_8i_h:Cu-Li-O-W, expected Li4Cu3WO16 to be Li4Cu3WO8" +mp-555519,Li2Cu(WO4)2,-7.7129599192,-2.0662812613,0.0203189347,0.0203189347,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Cu-Li-O-W,13.0,"Invalid WP multiplicities - AB2C8D2_aP13_2_a_i_8i_i:Cu-Li-O-W, expected Li2Cu(WO8)2 to be Li2Cu(WO4)2" +mp-1222432,Li3MnAs2,-4.5289266633,-0.494423213,0.0703533575,0.0703533575,GGA,P-4m2,A2B3C_tP6_115_g_abc_d:As-Li-Mn,6.0,A2B3C_tP6_115_g_abc_d:As-Li-Mn +mp-38995,Li3MnAs2,-4.4826427517,-0.4481393013,0.1166372692,0.1166372692,GGA,P4_2/nmc,A2B3C_tP12_137_d_ac_b:As-Li-Mn,12.0,"Invalid WP multiplicities - A2B3C_tP12_137_d_2a3c_b:As-Li-Mn, expected Li8MnAs2 to be Li3MnAs2" +mp-20052,LiMnAsO4,-7.1516999343,-2.077869733,0.0,-0.0235558214,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:As-Li-Mn-O,28.0,ABCD4_oP28_62_c_a_c_2cd:As-Li-Mn-O +mp-21284,LiMnAs,-5.5481406333,-0.3047884454,0.1318565163,0.1318565163,GGA,P4/nmm,ABC_tP6_129_c_a_b:As-Li-Mn,6.0,ABC_tP6_129_c_a_b:As-Li-Mn +mp-1008911,LiMnAs,-5.5340542733,-0.2907020854,0.1459428763,0.1459428763,GGA,F-43m,ABC_cF12_216_c_a_b:As-Li-Mn,3.0,ABC_cF12_216_c_a_b:As-Li-Mn +mp-532427,Li47Mn5As19,-3.7556389499,-0.5999671064000001,0.0537635005,0.0537635005,GGA,R3m,A19B47C5_hR213_160_19a_47a_5a:As-Li-Mn,71.0,A19B47C5_hR213_160_19a_47a_5a:As-Li-Mn +mp-677349,Li11MnAs6,-3.7377931878,-0.5091888958,0.1035275582,0.1035275582,GGA,Fdd2,A6B11C_oF144_43_3b_3a4b_a:As-Li-Mn,36.0,"Invalid WP multiplicities - A6B11C_oF144_43_9b_6a14b_a:As-Li-Mn, expected Li34MnAs18 to be Li11MnAs6" +mp-771037,Li3MnBAsO7,-6.9218535881,-2.2407678153,0.0912627431,0.0912627431,GGA+U,P2_1/m,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-B-Li-Mn-O,52.0,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-B-Li-Mn-O +mp-937591,Li7MnAs4,-3.9364820962,-0.5064030147,0.0943284684,0.0943284684,GGA,Pm,A4B7C_mP24_6_2a2b2c_3a3b4c_ab:As-Li-Mn,24.0,"Invalid WP multiplicities - A4B7C_mP24_6_2a2b4c_3a3b8c_ab:As-Li-Mn, expected Li11MnAs6 to be Li7MnAs4" +mp-675473,Li7MnAs4,-3.9796086692,-0.5495295876,0.0512018955,0.0512018955,GGA,Cc,A4B7C_mC48_9_4a_7a_a:As-Li-Mn,24.0,"Invalid WP multiplicities - A4B7C_mC48_15_2f_6e5f_e:As-Li-Mn, expected Li16MnAs4 to be Li7MnAs4" +mp-1222579,Li7MnAs4,-3.9105494925,-0.4804704109,0.1202610722,0.1202610722,GGA,P-42m,A4B7C_tP12_111_n_aefh_c:As-Li-Mn,12.0,"Invalid WP multiplicities - A4B7C_tP12_111_n_a2e2fh_c:As-Li-Mn, expected Li11MnAs4 to be Li7MnAs4" +mp-36063,Li7MnAs4,-3.8963231804,-0.4662440989,0.1344873843,0.1344873843,GGA,P4_2/nmc,A4B7C_tP24_137_g_adf_b:As-Li-Mn,24.0,"Invalid WP multiplicities - A4B7C_tP24_137_g_2a2d4f_b:As-Li-Mn, expected Li22MnAs4 to be Li7MnAs4" +mp-675504,Li19(Mn3As4)3,-4.7767575767,-0.4108302529,0.1166884019,0.1166884019,GGA,Pmm2,A12B19C9_oP40_25_6a6d_4a7b8c_5b4c:As-Li-Mn,40.0,A12B19C9_oP40_25_6a6d_4a7b8c_5b4c:As-Li-Mn +mp-772182,Li2MnBAsO7,-7.046137165,-2.1340378167,0.0797586561,0.0797586561,GGA+U,P2_1/m,ABC2DE7_mP24_11_e_e_f_e_5ef:As-B-Li-Mn-O,24.0,"Invalid WP multiplicities - ABC2DE7_mP24_11_e_e_f_e_9e2f:As-B-Li-Mn-O, expected Li2MnBAsO13 to be Li2MnBAsO7" +mp-531949,Li23(MnAs)20,-5.3415915606,-0.2570217214,0.1954396542,0.1954396542,GGA,P4mm,A20B23C20_tP63_99_10a10b_2ab10c_10c:As-Li-Mn,63.0,"Invalid WP multiplicities - A20B23C20_tP63_99_10a10b_2ab20c_20c:As-Li-Mn, expected Li43(Mn2As)20 to be Li23(MnAs)20" +mp-33334,Li17(MnAs2)4,-4.1940921683,-0.5260681289,0.0738831109,0.0738831109,GGA,P1,A8B17C4_aP29_1_8a_17a_4a:As-Li-Mn,29.0,A8B17C4_aP29_1_8a_17a_4a:As-Li-Mn +mp-675195,Li13(Mn3As4)2,-4.7554770767,-0.4198831411,0.1106141679,0.1106141679,GGA,Pm,A8B13C6_mP27_6_4a4b_2ab5c_3c:As-Li-Mn,27.0,"Invalid WP multiplicities - A8B13C6_mP27_6_4a4b_2ab10c_6c:As-Li-Mn, expected Li23(Mn3As2)4 to be Li13(Mn3As4)2" +mp-1210904,LiMnAs2,-4.8785373425,0.2187563997,0.5971937541,0.5971937541,GGA,P4/mmm,A2BC_tP4_123_g_a_b:As-Li-Mn,4.0,A2BC_tP4_123_g_a_b:As-Li-Mn +mp-1105934,LiMnAsO5,-6.9309152625,-1.8729777475,0.0467758209,0.0467758209,GGA+U,P-1,ABCD5_aP16_2_i_i_ab_5i:As-Li-Mn-O,32.0,"Invalid WP multiplicities - ABCD5_aP16_2_i_i_2a2b_5i:As-Li-Mn-O, expected LiMn2AsO5 to be LiMnAsO5" +mp-2716368,K3NaSi3(GeO6)2,-6.7582563633,-2.4946374838,0.1576474708,0.1576474708,GGA,R-3c,A2B3CD12E3_hR126_167_c_e_b_2f_e:Ge-K-Na-O-Si,126.0,A2B3CD12E3_hR126_167_c_e_b_2f_e:Ge-K-Na-O-Si +mp-557679,KNaSi2O5,-7.1356809847000005,-2.9115694451,0.0012364758,0.0012364758,GGA,P2_1/c,ABC5D2_mP108_14_3e_3e_15e_6e:K-Na-O-Si,108.0,"Invalid WP multiplicities - ABC5D2_mP108_14_9e_10e_57e_22e:K-Na-O-Si, expected K9Na10Si22O57 to be KNaSi2O5" +mp-558129,KNaSi2O5,-7.1338799894000005,-2.9097684498,0.003037471,0.003037471,GGA,P2_1/c,ABC5D2_mP36_14_e_e_5e_2e:K-Na-O-Si,36.0,"Invalid WP multiplicities - ABC5D2_mP36_14_e_e_19e_4e:K-Na-O-Si, expected KNaSi4O19 to be KNaSi2O5" +mp-558085,KNaGeO3,-5.7672991283,-2.1179627568,0.0,-0.0201492779,GGA,Pna2_1,ABCD3_oP24_33_a_a_a_3a:Ge-K-Na-O,24.0,"Invalid WP multiplicities - ABCD3_oP24_33_a_a_a_10a:Ge-K-Na-O, expected KNaGeO10 to be KNaGeO3" +mp-542686,K4Na2(Si2O5)3,-7.1318244761,-2.9155694678,0.0,-0.005835873,GGA,C2/c,A4B2C15D6_mC108_15_2f_f_e7f_3f:K-Na-O-Si,54.0,A4B2C15D6_mC108_15_2f_f_e7f_3f:K-Na-O-Si +mp-554107,K2Na4Ge2O7,-5.4811844668,-2.0555994164,0.0,-0.0052928608,GGA,P2_1,A2B2C4D7_mP60_4_4a_4a_8a_14a:Ge-K-Na-O,60.0,"Invalid WP multiplicities - A2B2C4D7_mP60_4_8a_4a_16a_25a:Ge-K-Na-O, expected K4Na16Ge8O25 to be K2Na4Ge2O7" +mp-18460,K2Si6GeO15,-7.7424392708,-3.0092699126,0.0,-0.0044196332,GGA,Cc,AB2C15D6_mC96_9_a_2a_15a_6a:Ge-K-O-Si,48.0,AB2C15D6_mC96_9_a_2a_15a_6a:Ge-K-O-Si +mp-2716361,Na4Si3(GeO6)2,-6.8756478459,-2.5817252026,0.0549062336,0.0549062336,GGA,R-3c,A2B4C12D3_hR126_167_c_be_2f_e:Ge-Na-O-Si,126.0,A2B4C12D3_hR126_167_c_be_2f_e:Ge-Na-O-Si +mp-1522774,KPrDyGeO6,-7.203669048,-2.7235438816,0.1870928744,0.1870928744,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Ge-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Ge-K-O-Pr +mp-979340,Sr2LiTaN3F,-7.3101069041,-1.8017755108,0.0,-0.0042692867,GGA,Pbca,ABC3D2E_oP64_61_c_c_3c_2c_c:F-Li-N-Sr-Ta,64.0,ABC3D2E_oP64_61_c_c_3c_2c_c:F-Li-N-Sr-Ta +mp-1247045,Sr3(TaN2)2,-7.8436027883,-0.9402677528,0.2543661312,0.2543661312,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Sr-Ta,18.0,A4B3C2_mC36_15_2f_ef_f:N-Sr-Ta +mp-1245775,Sr3(TaN2)2,-7.8627025931,-0.9593675575,0.2352663265,0.2352663265,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Ta,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Ta +mp-541569,Sr2Li3TaN4,-6.4913420408,-1.0603907571,0.0,-0.0336934435,GGA,Pnnm,A3B4C2D_oP40_58_gh_2gh_eg_g:Li-N-Sr-Ta,40.0,A3B4C2D_oP40_58_gh_2gh_eg_g:Li-N-Sr-Ta +mp-1247449,Sr3TaN3,-7.0389365279,-1.0481161329,0.083744834,0.083744834,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-Ta,14.0,A3B3C_hP14_176_h_h_c:N-Sr-Ta +mp-17518,Sr2TaN3,-8.02821268,-1.3205044614,0.0,-0.2746988699,GGA,C2/c,A3B2C_mC48_15_2e2f_2f_f:N-Sr-Ta,24.0,"Invalid WP multiplicities - A3B2C_mC48_15_2e2f_4f_f:N-Sr-Ta, expected Sr4TaN3 to be Sr2TaN3" +mp-1245946,Sr3Ta3N5,-8.5103422359,-1.0263160655,0.2082642203,0.2082642203,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Ta,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Ta +mp-1214242,Be3Ag4P3BrO12,-6.5720965563,-2.2372416436,0.0,-0.0051955045,GGA,P-43n,A4B3CD12E3_cP46_218_e_c_a_i_d:Ag-Be-Br-O-P,46.0,A4B3CD12E3_cP46_218_e_c_a_i_d:Ag-Be-Br-O-P +mp-15919,BeAgPO4,-6.9190766020000005,-2.3802157135,0.0,-0.0582962635,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Ag-Be-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_3e_4e_17e_3e:Ag-Be-O-P, expected Be4Ag3P3O17 to be BeAgPO4" +mp-23843,LiHSeO3,-5.5435866721,-1.6039822516000002,0.0,-0.0493808106,GGA,P2_12_12_1,ABC3D_oP24_19_a_a_3a_a:H-Li-O-Se,24.0,"Invalid WP multiplicities - ABC3D_oP24_19_a_a_6a_a:H-Li-O-Se, expected LiHSeO6 to be LiHSeO3" +mp-697926,LiCd2HSe2O7,-5.2849539098000005,-1.5337175740000002,0.0,-0.031529591,GGA,P2_1/c,A2BCD7E2_mP52_14_2e_e_e_7e_2e:Cd-H-Li-O-Se,52.0,A2BCD7E2_mP52_14_2e_e_e_7e_2e:Cd-H-Li-O-Se +mp-753960,Li2H2SeO5,-5.5434591325,-1.6601938468,0.0206391134,0.0206391134,GGA,P2_1,A2B2C5D_mP20_4_2a_2a_5a_a:H-Li-O-Se,20.0,"Invalid WP multiplicities - A2B2C5D_mP20_4_3a_3a_9a_a:H-Li-O-Se, expected Li3H3SeO9 to be Li2H2SeO5" +mp-24165,Li2H2SeO5,-5.5548255185,-1.6715602328,0.0092727274,0.0092727274,GGA,P2_1,A2B2C5D_mP20_4_2a_2a_5a_a:H-Li-O-Se,20.0,"Invalid WP multiplicities - A2B2C5D_mP20_4_4a_4a_7a_a:H-Li-O-Se, expected Li4H4SeO7 to be Li2H2SeO5" +mp-1189942,Li2H2SeO5,-5.546820268,-1.6635549823,0.0172779779,0.0172779779,GGA,P2_1,A2B2C5D_mP20_4_2a_2a_5a_a:H-Li-O-Se,20.0,A2B2C5D_mP20_4_2a_2a_5a_a:H-Li-O-Se +mp-696288,LiH3(SeO3)2,-5.4688835258,-1.4056288405,0.0056237329,0.0056237329,GGA,Pc,A3BC6D2_mP24_7_3a_a_6a_2a:H-Li-O-Se,24.0,A3BC6D2_mP24_7_3a_a_6a_2a:H-Li-O-Se +mp-1195625,Sb2H12Pd(CCl)4,-4.6734773862,-0.3926336714,0.1177300492,0.1177300492,GGA,P2_1/c,A4B4C12DE2_mP92_14_4e_4e_12e_e_2e:C-Cl-H-Pd-Sb,92.0,A4B4C12DE2_mP92_14_4e_4e_12e_e_2e:C-Cl-H-Pd-Sb +mp-1517247,CaEuYSbO6,-8.206868872,-2.9530482419,0.1212201229,0.1212201229,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Sb-Y +mp-560667,CsLi(PO3)2,-7.0319200431,-2.7008137912,0.0,-0.010003915,GGA,Fdd2,ABC6D2_oF320_43_2b_2b_12b_4b:Cs-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_oF320_43_6b_4b_47b_13b:Cs-Li-O-P, expected Cs6Li4P13O47 to be CsLi(PO3)2" +mp-559118,CsTa(PO4)2,-8.2198220817,-2.9570475229,0.0,-0.0270083129,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Cs-O-P-Ta,12.0,"Invalid WP multiplicities - AB8C2D_mC24_12_a_4i3j_i_d:Cs-O-P-Ta, expected CsTa(PO10)2 to be CsTa(PO4)2" +mp-557186,CsTa2P5O18,-8.2936264119,-2.8814007593,0.0,-0.0223643184,GGA,P-1,AB18C5D2_aP52_2_i_18i_5i_2i:Cs-O-P-Ta,52.0,"Invalid WP multiplicities - AB18C5D2_aP52_2_i_36i_9i_3i:Cs-O-P-Ta, expected CsTa3(PO4)9 to be CsTa2P5O18" +mp-1235123,CsLiTa(PO4)2,-7.7387188277,-2.7339328606,0.147793952,0.147793952,GGA,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Cs-Li-O-P-Ta,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Cs-Li-O-P-Ta +mp-1236541,CsLiTa(PO4)2,-7.7350283269,-2.7302423598,0.1514844528,0.1514844528,GGA,Cm,ABC8D2E_mC26_8_a_a_4a2b_2a_a:Cs-Li-O-P-Ta,13.0,"Invalid WP multiplicities - ABC8D2E_mC26_8_a_a_4a3b_2a_a:Cs-Li-O-P-Ta, expected CsLiTa(PO5)2 to be CsLiTa(PO4)2" +mp-1216121,Y2FeSbO7,-8.3373543845,-2.8683738704,0.0,-0.000611049,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Fe-O-Sb-Y,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Fe-O-Sb-Y, expected Y2FeSbO13 to be Y2FeSbO7" +mp-11202,Y6FeSb2,-6.7815753033,-0.6119252622,0.0091691186,0.0091691186,GGA,P-62m,AB2C6_hP9_189_a_d_fg:Fe-Sb-Y,9.0,"Invalid WP multiplicities - AB2C6_hP9_189_a_d_2f2g:Fe-Sb-Y, expected Y12FeSb2 to be Y6FeSb2" +mp-1248168,Y4Fe13Si2(SbO14)2,-8.2206541976,-2.2289790417,0.0897511231,0.0897511231,GGA+U,Cm,A13B28C2D2E4_mC98_8_a6b_4a12b_b_2a_2b:Fe-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_8_a11b_4a24b_b_2a_3b:Fe-O-Sb-Si-Y, expected Y6Fe23Si2(SbO26)2 to be Y4Fe13Si2(SbO14)2" +mp-1348593,Y4Fe13Si2(SbO14)2,-7.7970684333,-1.8053932774,0.5133368874,0.5133368874,GGA+U,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Fe-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Fe-O-Sb-Si-Y, expected Y4Fe37Si2(SbO46)2 to be Y4Fe13Si2(SbO14)2" +mp-1324167,Y2Fe3(SiO4)3,-8.5264813457,-2.8275201217,0.1514834738,0.1514834738,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Fe-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Fe-O-Si-Y +mp-1523311,KSrCeMnO6,-7.366975328,-2.6094624165,0.121871212,0.121871212,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Mn-O-Sr +mp-1080434,Sr2YCoO6,-7.2431271403,-2.579736332,0.0761904057,0.0761904057,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Sr-Y,40.0,AB6C2D_tI20_139_a_eh_d_b:Co-O-Sr-Y +mp-21875,Y4GaCo4,-6.6821140856,-0.3124194571,2.63415e-05,2.63415e-05,GGA,C2/m,A4BC4_mC18_12_2i_a_2i:Co-Ga-Y,9.0,A4BC4_mC18_12_2i_a_2i:Co-Ga-Y +mp-1217060,Y10Ga3Co7,-6.5237335062,-0.348372318,0.0,-0.0047662857,GGA,Pmc2_1,A7B3C10_oP40_26_3a4b_2ab_5a5b:Co-Ga-Y,40.0,A7B3C10_oP40_26_3a4b_2ab_5a5b:Co-Ga-Y +mp-21625,Y2(Ga3Co)3,-4.8831837182,-0.4895580172,0.0,-0.0245048468,GGA,Cmcm,A3B9C2_oC56_63_ae_cfgh_g:Co-Ga-Y,28.0,"Invalid WP multiplicities - A3B9C2_oC56_63_ae_cfg2h_g:Co-Ga-Y, expected Y2Ga13Co3 to be Y2(Ga3Co)3" +mp-1025375,YGa5Co,-4.5742693871,-0.4720880985,0.0,-0.0136417174,GGA,P4/mmm,AB5C_tP7_123_b_ci_a:Co-Ga-Y,7.0,AB5C_tP7_123_b_ci_a:Co-Ga-Y +mp-1207723,Y(GaCo)6,-5.5074168869,-0.3316511932,0.0073167563,0.0073167563,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Co-Ga-Y,13.0,A6B6C_oI26_71_fk_egh_a:Co-Ga-Y +mp-1188555,Y6GaCo2,-6.507757355,-0.2806953225,0.0,-0.0079048134,GGA,Immm,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Y,18.0,A2BC6_oI36_71_fg_ab_lmn:Co-Ga-Y +mp-1047167,Sr2YCo2O7,-7.1414855775,-2.2507426951,0.2444087443,0.2444087443,GGA+U,Imma,A2B7C2D_oI48_74_h_c2gh_h_a:Co-O-Sr-Y,24.0,A2B7C2D_oI48_74_h_c2gh_h_a:Co-O-Sr-Y +mp-1191866,Y4Ga16Co3,-4.6690395596,-0.5107624205,0.0,-0.0047638868,GGA,P4/mmm,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Y,23.0,A3B16C4_tP23_123_ae_ghjr_i:Co-Ga-Y +mp-1197924,Y2Ga2Co15,-6.7224258492,-0.1111678915,0.0514819775,0.0514819775,GGA,P6_3/mmc,A15B2C2_hP38_194_gjk_f_bc:Co-Ga-Y,38.0,A15B2C2_hP38_194_gjk_f_bc:Co-Ga-Y +mp-21491,Y3GaCo3,-6.5905831521,-0.3402313311,0.0039819517,0.0039819517,GGA,Cmcm,A3BC3_oC28_63_cf_a_cf:Co-Ga-Y,14.0,A3BC3_oC28_63_cf_a_cf:Co-Ga-Y +mp-1206356,Y2GaCo2,-6.436929522,-0.4013947542,0.0,-0.0223719303,GGA,Immm,A2BC2_oI10_71_e_c_g:Co-Ga-Y,5.0,A2BC2_oI10_71_e_c_g:Co-Ga-Y +mp-1103036,Y2Ga8Co,-4.5109129909,-0.4867286089,0.0092348018,0.0092348018,GGA,P4/mmm,AB8C2_tP11_123_a_ehi_g:Co-Ga-Y,11.0,AB8C2_tP11_123_a_ehi_g:Co-Ga-Y +mp-1047119,Sr2Y2Co2O7,-7.7053785727,-2.6934258264,0.1765274245,0.1765274245,GGA+U,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Co-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Co-O-Sr-Y +mp-1218489,Sr3Y(CoO4)2,-7.1972339793,-2.5311556398,0.055148082,0.055148082,GGA+U,Amm2,A2B8C3D_oC28_38_ab_2a2bf_a2b_a:Co-O-Sr-Y,14.0,A2B8C3D_oC28_38_ab_2a2bf_a2b_a:Co-O-Sr-Y +mp-1276017,SrYCoO4,-7.7348293404,-2.7275383108,0.0700929988,0.0700929988,GGA+U,P1,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y,28.0,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y +mp-1276118,SrYCoO4,-7.7270652404,-2.7197742108,0.0778570988,0.0778570988,GGA+U,P1,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y,28.0,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y +mp-1284215,SrYCoO4,-7.7248708093,-2.7175797798,0.0800515299,0.0800515299,GGA+U,P1,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y,28.0,AB4CD_aP28_1_4a_16a_4a_4a:Co-O-Sr-Y +mp-1274913,SrYCoO4,-7.7407405093,-2.7334494798,0.0641818299,0.0641818299,GGA+U,Cm,AB4CD_mC28_8_2a_4a2b_2a_2a:Co-O-Sr-Y,28.0,"Invalid WP multiplicities - AB4CD_mC28_8_4a_8a8b_4a_4a:Co-O-Sr-Y, expected SrYCoO6 to be SrYCoO4" +mp-1277216,SrYCoO4,-7.7099120086,-2.702620979,0.0950103306,0.0950103306,GGA+U,Cm,AB4CD_mC28_8_2a_8a_2a_2a:Co-O-Sr-Y,14.0,AB4CD_mC28_8_2a_8a_2a_2a:Co-O-Sr-Y +mp-1274545,SrYCoO4,-7.7098603604,-2.7025693308000003,0.0950619788,0.0950619788,GGA+U,Cm,AB4CD_mC56_8_4a_16a_4a_4a:Co-O-Sr-Y,28.0,AB4CD_mC56_8_4a_16a_4a_4a:Co-O-Sr-Y +mp-1217766,SrYCoO4,-7.7229774929,-2.7156864633,0.0819448463,0.0819448463,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Co-O-Sr-Y,7.0,AB4CD_tI14_107_a_2ab_a_a:Co-O-Sr-Y +mp-1294077,SrYCoO4,-7.7144560582,-2.7071650287,0.090466281,0.090466281,GGA+U,I4_1cd,AB4CD_tI56_110_a_2ab_a_a:Co-O-Sr-Y,28.0,AB4CD_tI56_110_a_2ab_a_a:Co-O-Sr-Y +mp-582751,Y5GaCo5,-6.7378701782,-0.2922301269,0.0,-0.0007595705,GGA,Cmcm,A5BC5_oC44_63_c2f_a_c2f:Co-Ga-Y,22.0,"Invalid WP multiplicities - A5BC5_oC44_63_2c7f_a_2c7f:Co-Ga-Y, expected Y16GaCo16 to be Y5GaCo5" +mp-30557,YGa2Co3,-6.0071223667,-0.3658529428,0.0,-0.0311863986,GGA,P6/mmm,A3B2C_hP18_191_fl_k_ad:Co-Ga-Y,18.0,A3B2C_hP18_191_fl_k_ad:Co-Ga-Y +mp-1102926,YGaCo,-6.0038312842,-0.4695363072,0.0,-0.0112714295,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ga-Y,12.0,ABC_oP12_62_c_c_c:Co-Ga-Y +mp-1046565,Sr2YGaCo2O7,-7.270562810799999,-2.5231004561,0.0659527778,0.0659527778,GGA+U,P1,A2BC7D2E_aP26_1_4a_2a_14a_4a_2a:Co-Ga-O-Sr-Y,26.0,A2BC7D2E_aP26_1_4a_2a_14a_4a_2a:Co-Ga-O-Sr-Y +mp-4484,Ba(PRu)2,-7.200781464,-0.9419044573,0.0,-0.2912330978,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ba-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Ba-P-Ru +mp-1220996,NaP4(RuO7)2,-7.5454904081,-2.2703388673,0.0,-0.0128310632,GGA,P1,AB14C4D2_aP21_1_a_14a_4a_2a:Na-O-P-Ru,21.0,AB14C4D2_aP21_1_a_14a_4a_2a:Na-O-P-Ru +mp-1214424,BaNa3(PO4)2,-6.7055931036,-2.6851169947,0.03093239,0.03093239,GGA,P-3m1,AB3C8D2_hP14_164_a_bd_di_d:Ba-Na-O-P,14.0,AB3C8D2_hP14_164_a_bd_di_d:Ba-Na-O-P +mp-774691,Ba6Na2P2Ru2O17,-7.1315939371,-2.7306277849,0.0,-0.0212491041,GGA,P6_3/mmc,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-P-Ru,58.0,"Invalid WP multiplicities - A6B2C17D2E2_hP58_194_2a2b6f_e_2f5h13k_f_f:Ba-Na-O-P-Ru, expected Ba16Na2P2Ru2O97 to be Ba6Na2P2Ru2O17" +mp-9732,BaNaP,-3.6552578922,-0.7703236455,0.0,-0.0735571812,GGA,P-62m,ABC_hP9_189_f_g_ad:Ba-Na-P,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_g_a2d:Ba-Na-P, expected Ba3Na3P5 to be BaNaP" +mp-1214476,BaNaPO4,-7.0439701525,-2.9808904975,0.0272914618,0.0215038425,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-Na-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-Na-O-P +mp-1227883,BaNaPO4,-7.0712616143,-3.0081819593,0.0,-0.0057876193,GGA,P3m1,ABC4D_hP14_156_ac_bc_ab2d_ab:Ba-Na-O-P,14.0,ABC4D_hP14_156_ac_bc_ab2d_ab:Ba-Na-O-P +mp-13755,BaNa(PO3)3,-7.441906677,-2.8703633802,0.0,-0.0096964598,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Ba-Na-O-P,56.0,ABC9D3_oP56_19_a_a_9a_3a:Ba-Na-O-P +mp-1093602,Ba2ZnPb,-1.0673992,1.13518594,1.5851091963,1.5851091963,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Pb-Zn,4.0,A2BC_oI8_71_e_a_b:Ba-Pb-Zn +mp-1194514,Ba4Zn4B14Pb2O31,-7.6037888193,-2.7492614887,0.0019275838,-0.0043917188,GGA,P1,A14B4C31D2E4_aP55_1_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn,55.0,A14B4C31D2E4_aP55_1_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn +mp-1194748,Ba4Zn4B14Pb2O31,-7.6041924463,-2.7496651157,0.0015239568,-0.0047953458,GGA,Cc,A14B4C31D2E4_mC220_9_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn,110.0,A14B4C31D2E4_mC220_9_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn +mp-1195127,Ba4Zn4B14Pb2O31,-7.605716403,-2.7511890725,0.0,-0.0063193026,GGA,P3_2,A14B4C31D2E4_hP165_145_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn,165.0,A14B4C31D2E4_hP165_145_14a_4a_31a_2a_4a:B-Ba-O-Pb-Zn +mp-510311,BaZnPb,-2.708055685,-0.4109338117,0.0203442681,0.0203442681,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ba-Pb-Zn,6.0,ABC_hP6_194_a_c_d:Ba-Pb-Zn +mp-557974,BaZn2(BO3)2,-6.9263262716,-2.6102010017,0.0124995757,0.0124995757,GGA,P2_12_12_1,A2BC6D2_oP44_19_2a_a_6a_2a:B-Ba-O-Zn,44.0,"Invalid WP multiplicities - A2BC6D2_oP44_19_6a_a_23a_6a:B-Ba-O-Zn, expected BaZn6B6O23 to be BaZn2(BO3)2" +mp-559138,Ba2Zn(BO3)2,-7.283251378,-2.9071959871,0.0,-0.0105106216,GGA,Pca2_1,A2B2C6D_oP88_29_4a_4a_12a_2a:B-Ba-O-Zn,88.0,"Invalid WP multiplicities - A2B2C6D_oP88_29_13a_13a_43a_3a:B-Ba-O-Zn, expected Ba13Zn3B13O43 to be Ba2Zn(BO3)2" +mp-560471,Zn2B2PbO6,-6.7353418209,-2.2561554483,0.0,-0.0064490484,GGA,Pccn,A2B6CD2_oP44_56_e_3e_c_e:B-O-Pb-Zn,44.0,"Invalid WP multiplicities - A2B6CD2_oP44_56_e_18e_c_e:B-O-Pb-Zn, expected Zn2B2PbO36 to be Zn2B2PbO6" +mp-558680,Ba2Zn(BO2)6,-7.9028329402,-2.9250087188,0.005865442,0.005865442,GGA,P-1,A6B2C12D_aP42_2_6i_2i_12i_i:B-Ba-O-Zn,42.0,"Invalid WP multiplicities - A6B2C12D_aP42_2_11i_4i_24i_i:B-Ba-O-Zn, expected Ba4ZnB11O24 to be Ba2Zn(BO2)6" +mp-1518305,NaCaEuWO6,-8.199230858,-2.5768919109,0.1976654664,0.1976654664,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Eu-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Eu-Na-O-W +mp-1518554,NaCaEuWO6,-8.2920113155,-2.6696723684,0.1048850089,0.1048850089,GGA+U,P-4n2,ABCD6E_tP20_118_c_a_d_ei_b:Ca-Eu-Na-O-W,20.0,ABCD6E_tP20_118_c_a_d_ei_b:Ca-Eu-Na-O-W +mp-1200459,Ba2LiB10O19,-7.9584848059,-2.7544886819,0.0895501798,0.0895501798,GGA,P-1,A10B2CD19_aP64_2_10i_2i_i_19i:B-Ba-Li-O,64.0,A10B2CD19_aP64_2_10i_2i_i_19i:B-Ba-Li-O +mp-6499,BaLiBO3,-7.1840546279,-2.9594953427,0.0,-0.0395389904,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Ba-Li-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_6e:B-Ba-Li-O, expected BaLiBO6 to be BaLiBO3" +mp-6075,Ba2Li(BO2)5,-7.9558874458,-3.0330697395,0.0,-0.0152009962,GGA,P2_1/m,A5B2CD10_mP36_11_e2f_f_e_2e4f:B-Ba-Li-O,36.0,A5B2CD10_mP36_11_e2f_f_e_2e4f:B-Ba-Li-O +mp-553926,NaLiB4O7,-7.7493832198,-2.7820112027,0.0,-0.0054678299,GGA,Fdd2,A4BCD7_oF208_43_4b_b_b_2a6b:B-Li-Na-O,52.0,"Invalid WP multiplicities - A4BCD7_oF208_43_10b_b_b_4a22b:B-Li-Na-O, expected NaLi(B5O12)2 to be NaLiB4O7" +mp-558455,Na4Li5(BO3)3,-6.2179820505,-2.4373587542,0.0,-0.0007762575,GGA,C2/c,A3B5C4D9_mC84_15_ef_e2f_2f_e4f:B-Li-Na-O,42.0,"Invalid WP multiplicities - A3B5C4D9_mC84_15_ef_2e7f_5f_2e11f:B-Li-Na-O, expected Na10Li16(BO8)3 to be Na4Li5(BO3)3" +mp-1019555,BaNaLi3(BO2)6,-7.5597116452,-2.8464558194,0.0,-0.0144155516,GGA,R-3,A6BC3DE12_hR138_148_2f_c_f_c_4f:B-Ba-Li-Na-O,46.0,A6BC3DE12_hR138_148_2f_c_f_c_4f:B-Ba-Li-Na-O +mp-17672,BaLi(B3O5)3,-8.2584103615,-2.9452274995,0.0,-0.0239840337,GGA,R3c,A9BCD15_hR156_161_3b_a_a_5b:B-Ba-Li-O,52.0,"Invalid WP multiplicities - A9BCD15_hR156_161_7b_a_a_10b:B-Ba-Li-O, expected BaLi(B7O10)3 to be BaLi(B3O5)3" +mp-1183402,BaLi(B3O5)3,-8.2527385581,-2.939555696,0.0056718035,-0.0183122302,GGA,R3c,A9BCD15_hR156_161_3b_a_a_5b:B-Ba-Li-O,52.0,A9BCD15_hR156_161_3b_a_a_5b:B-Ba-Li-O +mp-558890,BaLi(B3O5)3,-8.2582742025,-2.9450913405,0.000136159,-0.0238478747,GGA,R-3c,A9BCD15_hR156_167_ef_b_a_e2f:B-Ba-Li-O,52.0,"Invalid WP multiplicities - A9BCD15_hR156_167_6e6f_b_a_4e16f:B-Ba-Li-O, expected BaLi(BO2)54 to be BaLi(B3O5)3" +mp-560189,NaLi2BO3,-6.2789243741,-2.4703773839,0.0,-0.0033614795,GGA,P2_1/c,AB2CD3_mP56_14_2e_4e_2e_6e:B-Li-Na-O,56.0,"Invalid WP multiplicities - AB2CD3_mP56_14_4e_13e_6e_23e:B-Li-Na-O, expected Na6Li13B4O23 to be NaLi2BO3" +mp-2217969,Sr2YMgSbO6,-6.58687205,-2.4727928157,0.5826070518,0.5826070518,GGA,Immm,AB6CD2E_oI22_71_c_el_a_f_b:Mg-O-Sb-Sr-Y,11.0,"Invalid WP multiplicities - AB6CD2E_oI22_71_c_2e2l_a_f_b:Mg-O-Sb-Sr-Y, expected Sr2YMgSbO12 to be Sr2YMgSbO6" +mp-2224243,Sr2YMgSbO6,-6.8720287945,-2.7579495602,0.2974503072,0.2974503072,GGA,R3m,AB6CD2E_hR33_160_a_2b_a_2a_a:Mg-O-Sb-Sr-Y,11.0,"Invalid WP multiplicities - AB6CD2E_hR33_160_a_4b_a_2a_a:Mg-O-Sb-Sr-Y, expected Sr2YMgSbO12 to be Sr2YMgSbO6" +mp-1022805,SrYMg6,-2.2506763075,-0.0309706992,0.053356896,0.053356896,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sr-Y, expected SrYMg12 to be SrYMg6" +mp-1022804,SrYMg6,-2.2318624238,-0.0121568154,0.0721707798,0.0721707798,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Sr-Y,8.0,A6BC_tP8_123_ej_b_d:Mg-Sr-Y +mp-1028058,SrYMg14,-1.8681136656,0.0418791635,0.096722492,0.096722492,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-Y, expected SrYMg18 to be SrYMg14" +mp-1028049,SrYMg14,-1.8801603144,0.0298325148,0.0846758433,0.0846758433,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-Y, expected SrYMg26 to be SrYMg14" +mp-1037103,SrYMg30O32,-6.3383190503,-2.9874064749,0.0799583843,0.0799583843,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sr-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sr-Y, expected SrYMg110O72 to be SrYMg30O32" +mp-1037072,SrYMg30O32,-6.3341069047,-2.9831943293,0.08417053,0.08417053,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sr-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sr-Y, expected SrYMg90O80 to be SrYMg30O32" +mp-1032583,SrYMg6O8,-6.3821467975,-2.7989496377,0.3083889011,0.3083889011,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sr-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sr-Y, expected SrYMg6O12 to be SrYMg6O8" +mp-1032600,SrYMg6O8,-6.4294915694,-2.8462944096,0.2610441292,0.2610441292,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sr-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sr-Y, expected SrYMg6O12 to be SrYMg6O8" +mp-1035923,SrYMg14O16,-6.3394040497,-2.9110632795,0.1696261396,0.1696261396,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sr-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sr-Y, expected SrYMg18O20 to be SrYMg14O16" +mp-1035900,SrYMg14O16,-6.3475905637,-2.9192497935,0.1614396256,0.1614396256,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sr-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sr-Y, expected SrYMg30O32 to be SrYMg14O16" +mp-1211712,KEuTiO4,-8.6785930968,-3.1000720098,0.0145293179,0.0145293179,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Eu-K-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Eu-K-O-Ti +mp-1521954,KEuHfTiO6,-9.18890776,-3.2988863539,0.104308065,0.104308065,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Ti +mp-17290,LiSbWO6,-7.5207164083,-2.1122512301,0.0390872893,0.0390872893,GGA+U,Pbcn,AB6CD_oP36_60_c_3d_c_c:Li-O-Sb-W,36.0,"Invalid WP multiplicities - AB6CD_oP36_60_c_7d_c_c:Li-O-Sb-W, expected LiSbWO14 to be LiSbWO6" +mp-763252,LiSbWO6,-7.4757791478,-2.0673139695,0.0840245499,0.0840245499,GGA+U,Imma,AB6CD_oI36_74_a_2ej_c_b:Li-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_3e3j_c_b:Li-O-Sb-W, expected LiSbWO15 to be LiSbWO6" +mp-770703,LiSbWO6,-7.4790166103,-2.070551432,0.0807870874,0.0807870874,GGA+U,P4_122,AB6CD_tP36_91_a_2c2d_a_b:Li-O-Sb-W,36.0,"Invalid WP multiplicities - AB6CD_tP36_91_a_8c11d_a_b:Li-O-Sb-W, expected LiSbWO30 to be LiSbWO6" +mp-754339,LiSbTe2WO12,-6.7095433653,-1.7305474442,0.0408313103,0.0408313103,GGA+U,P1,AB12CD2E_aP17_1_a_12a_a_2a_a:Li-O-Sb-Te-W,17.0,AB12CD2E_aP17_1_a_12a_a_2a_a:Li-O-Sb-Te-W +mp-1222410,LiSbWO7,-7.0705824215,-1.70829489,0.2279097775,0.2279097775,GGA+U,Imma,AB7CD_oI40_74_a_3ej_c_b:Li-O-Sb-W,20.0,"Invalid WP multiplicities - AB7CD_oI40_74_a_5e4j_c_b:Li-O-Sb-W, expected LiSbWO21 to be LiSbWO7" +mp-1196881,Li2TeWO6,-7.048766076,-2.0888246636,0.0070086961,0.0070086961,GGA+U,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Li-O-Te-W,40.0,A2B6CD_mP40_14_2e_6e_e_e:Li-O-Te-W +mp-753933,Li4SbTe2WO12,-6.464849428,-1.9463644651,0.0848054764,0.0848054764,GGA+U,P1,A4B12CD2E_aP20_1_4a_12a_a_2a_a:Li-O-Sb-Te-W,20.0,A4B12CD2E_aP20_1_4a_12a_a_2a_a:Li-O-Sb-Te-W +mp-504723,Ba2NiWO6,-7.7900572445,-2.5644223387,0.0,-0.0242545247,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-W,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ni-O-W +mp-1372490,Mg2NiWO6,-7.4753244315,-2.3134285037,0.084968034,0.084968034,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Mg-Ni-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Mg-Ni-O-W +mp-2219819,MgNi2(WO4)2,-7.8555057746,-1.8054808854,0.2572080623,0.2572080623,GGA+U,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Ni-O-W,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Ni-O-W +mp-2227794,MgNi2(WO4)2,-7.6104084585,-1.5603835692,0.5023053785,0.5023053785,GGA+U,P2,AB2C8D2_mP13_3_a_cd_4e_ab:Mg-Ni-O-W,13.0,AB2C8D2_mP13_3_a_bc_4e_ad:Mg-Ni-O-W +mp-2218246,MgNi(WO4)2,-8.234777315,-2.1622617417,0.0723179517,0.0723179517,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Mg-Ni-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Mg-Ni-O-W +mp-2218263,MgNi(WO4)2,-8.1806493033,-2.10813373,0.1264459633,0.1264459633,GGA+U,P-1,ABC8D2_aP12_2_a_b_4i_i:Mg-Ni-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_a_b_8i_i:Mg-Ni-O-W, expected MgNi(WO8)2 to be MgNi(WO4)2" +mp-2240589,Ba2MgNiWO6,-6.9802261764,-2.0841689848,0.6040188809,0.6040188809,GGA+U,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Mg-Ni-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Mg-Ni-O-W, expected Ba2MgNiWO10 to be Ba2MgNiWO6" +mp-2227028,Ba2MgNiWO6,-7.0767020227,-2.1806448311,0.5075430345,0.5075430345,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Ni-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Ni-O-W, expected Ba2MgNiWO15 to be Ba2MgNiWO6" +mp-776978,Li4Mn3V3(SbO8)2,-7.6054976214,-2.2562662853,0.0238776464,0.0238776464,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sb-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sb-V +mp-1331651,Li4Mn3V3(SbO8)2,-4.4660655964,0.8831657397,3.1633096714,3.1633096714,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sb-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sb-V +mp-765741,Li4Mn2V3Sb3O16,-7.3941607193,-2.224679885,0.0310442721,0.0310442721,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Mn-O-Sb-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Mn-O-Sb-V, expected Li4Mn2V3Sb3O20 to be Li4Mn2V3Sb3O16" +mp-775695,Li4Mn3V2Sb3O16,-7.3234083029,-2.1511378535,0.0609799942,0.0609799942,GGA+U,P1,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Mn-O-Sb-V,28.0,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Mn-O-Sb-V +mp-774858,Li4Mn3V2Sb3O16,-7.31029803,-2.1380275806,0.074090267,0.074090267,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Sb-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-Sb-V, expected Li4Mn3V2Sb3O20 to be Li4Mn3V2Sb3O16" +mp-510305,MnVSbO6,-7.9326826561,-2.1487876706,0.0084006328,0.0084006328,GGA+U,Pbcn,AB6CD_oP36_60_c_3d_c_c:Mn-O-Sb-V,36.0,"Invalid WP multiplicities - AB6CD_oP36_60_c_12d_c_c:Mn-O-Sb-V, expected MnVSbO24 to be MnVSbO6" +mp-1221584,MnVSb,-7.4127944317,0.0455131024,0.26358136,0.26358136,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Mn-Sb-V,6.0,ABC_hP6_194_c_d_a:Mn-Sb-V +mp-1521388,NaCaLaWO6,-7.864621232,-2.7743817544,0.1907204816,0.1907204816,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-La-Na-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-La-Na-O-W +mp-1220735,NaLa(WO4)2,-8.59902654,-2.6200013276,0.0084148086,0.0084148086,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:La-Na-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:La-Na-O-W, expected NaLa(WO6)2 to be NaLa(WO4)2" +mp-540937,Na5La(WO4)4,-7.8916154073,-2.4097625661,0.0030150737,0.0030150737,GGA+U,I4_1/a,AB5C16D4_tI104_88_a_bf_4f_f:La-Na-O-W,52.0,AB5C16D4_tI104_88_a_bf_4f_f:La-Na-O-W +mp-1219026,SmYFe17,-8.1584298816,0.008697372,0.0221346466,0.0221346466,GGA,R3m,A17BC_hR57_160_2a3bc_a_a:Fe-Sm-Y,19.0,A17BC_hR57_160_2a3bc_a_a:Fe-Sm-Y +mp-1219057,SmYFe6,-7.7824474396,-0.031799376,0.000114151,0.000114151,GGA,R3m,A6BC_hR72_160_6a4b_3a_3a:Fe-Sm-Y,24.0,"Invalid WP multiplicities - A6BC_hR72_160_6a12b_3a_3a:Fe-Sm-Y, expected SmYFe14 to be SmYFe6" +mp-1219085,SmY3Fe34,-8.2127039324,0.0004202943,0.0205762062,0.0205762062,GGA,P-6m2,A34BC3_hP38_187_hilm3n_c_abf:Fe-Sm-Y,38.0,"Invalid WP multiplicities - A34BC3_hP38_187_2hilm4n_c_abf:Fe-Sm-Y, expected Sm(YFe14)3 to be SmY3Fe34" +mp-1218992,SmYFe4,-7.5251130917,-0.0142560769,0.0273414875,0.0273414875,GGA,F-43m,A4BC_cF24_216_e_a_c:Fe-Sm-Y,6.0,A4BC_cF24_216_e_a_c:Fe-Sm-Y +mp-1044156,Ca2Nb2WO8,-8.71466841,-2.8111722746,0.2209993646,0.2209993646,GGA+U,P1,A2B2C8D_aP26_1_4a_4a_16a_2a:Ca-Nb-O-W,26.0,A2B2C8D_aP26_1_4a_4a_16a_2a:Ca-Nb-O-W +mp-1519910,BaCaNbWO6,-8.485199262,-2.8187850263,0.1582604251,0.1582604251,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-W +mp-1228131,Ba4Nb2WO12,-8.3777282647,-3.1042069697,0.0,-0.0020885985,GGA+U,R3m,A4B2C12D_hR57_160_4a_2a_4b_a:Ba-Nb-O-W,19.0,A4B2C12D_hR57_160_4a_2a_4b_a:Ba-Nb-O-W +mp-2227115,MgPb2(WO4)2,-7.7658386538,-2.0338890892,0.0998955585,0.0998955585,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Pb-W,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Pb-W +mp-2242089,MgPb2(WO4)2,-7.7578103185,-2.0258607538,0.1079238938,0.1079238938,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Pb-W,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Pb-W +mp-2219496,MgPb2(WO4)2,-7.76547768,-2.0335281154,0.1002565323,0.1002565323,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Pb-W,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_7c_ab_ab:Mg-O-Pb-W, expected MgPb2(WO7)2 to be MgPb2(WO4)2" +mp-20216,MgPb2WO6,-7.3076992293,-2.1413155605,0.0,-0.0035716318,GGA+U,Pnma,AB6C2D_oP40_62_c_4cd_d_c:Mg-O-Pb-W,40.0,AB6C2D_oP40_62_c_4cd_d_c:Mg-O-Pb-W +mp-20056,MgPb2WO6,-7.297342632,-2.1309589632,0.0103565973,0.0067849654,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-W,10.0,AB6C2D_cF40_225_a_e_c_b:Mg-O-Pb-W +mp-1195092,MnPb2WO6,-7.848571106,-1.926013913,0.0001175897,-0.0005149813,GGA+U,Pna2_1,AB6C2D_oP40_33_a_6a_2a_a:Mn-O-Pb-W,40.0,AB6C2D_oP40_33_a_6a_2a_a:Mn-O-Pb-W +mp-1194656,MnPb2WO6,-7.8486886957,-1.9261315028,0.0,-0.000632571,GGA+U,Pnma,AB6C2D_oP40_62_c_4cd_d_c:Mn-O-Pb-W,40.0,"Invalid WP multiplicities - AB6C2D_oP40_62_c_7c2d_d_c:Mn-O-Pb-W, expected MnPb2WO11 to be MnPb2WO6" +mp-1078353,MnPb2WO6,-7.8163955535,-1.8938383605,0.0322931422,0.0316605712,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-W,20.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Pb-W +mp-2218011,MgMnPb2WO6,-7.2707227709,-1.7410998637,0.2984955998,0.2984955998,GGA+U,Cm,ABC6D2E_mC22_8_a_a_2a2b_2a_a:Mg-Mn-O-Pb-W,11.0,"Invalid WP multiplicities - ABC6D2E_mC22_8_a_a_2a3b_2a_a:Mg-Mn-O-Pb-W, expected MgMnPb2WO8 to be MgMnPb2WO6" +mp-2222803,MgMnPb2WO6,-7.3123426073,-1.7827197,0.2568757634,0.2568757634,GGA+U,Cm,ABC6D2E_mC22_8_a_a_2a2b_2a_a:Mg-Mn-O-Pb-W,11.0,"Invalid WP multiplicities - ABC6D2E_mC22_8_a_a_2a4b_2a_a:Mg-Mn-O-Pb-W, expected MgMnPb2WO10 to be MgMnPb2WO6" +mp-2217550,MgMnPb2WO6,-7.1969596427,-1.6673367355000002,0.372258728,0.372258728,GGA+U,Immm,ABC6D2E_oI22_71_c_a_el_f_b:Mg-Mn-O-Pb-W,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_c_a_2e3l_f_b:Mg-Mn-O-Pb-W, expected MgMnPb2WO16 to be MgMnPb2WO6" +mp-631637,Mg2PbW,-4.1962220675,0.7716122825,0.8139876925,0.8139876925,GGA,F-43m,A2BC_cF16_216_ac_b_d:Mg-Pb-W,4.0,A2BC_cF16_216_ac_b_d:Mg-Pb-W +mp-2229706,MgPb4(WO5)2,-7.1054591953,-1.7034582599,0.2814293304,0.2814293304,GGA+U,C2,AB10C4D2_mC34_5_a_2b4c_2c_c:Mg-O-Pb-W,17.0,AB10C4D2_mC34_5_a_2b4c_2c_c:Mg-O-Pb-W +mp-2228956,MgPb4(WO5)2,-7.1730706559,-1.7710697204,0.2138178699,0.2138178699,GGA+U,Cm,AB10C4D2_mC34_8_a_4a3b_4a_2a:Mg-O-Pb-W,,"Invalid WP multiplicities - AB10C4D2_mC34_8_a_4a5b_4a_2a:Mg-O-Pb-W, expected MgPb4(WO7)2 to be MgPb4(WO5)2" +mp-2229854,MgPb4(WO5)2,-7.1936237041,-1.7916227687,0.1932648216,0.1932648216,GGA+U,Cm,AB10C4D2_mC34_8_a_4a3b_4a_2a:Mg-O-Pb-W,17.0,"Invalid WP multiplicities - AB10C4D2_mC34_8_a_4a5b_4a_2a:Mg-O-Pb-W, expected MgPb4(WO7)2 to be MgPb4(WO5)2" +mp-1228199,Ba4Cr2MoWO12,-8.2123162855,-2.7050143068,0.0039338562,0.0039338562,GGA+U,R-3m,A4B2CD12E_hR60_166_2c_c_a_2h_b:Ba-Cr-Mo-O-W,20.0,A4B2CD12E_hR60_166_2c_c_a_2h_b:Ba-Cr-Mo-O-W +mp-541512,Ba3Cr2WO9,-8.2716411287,-2.7688845692,0.0,-0.022846237,GGA+U,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Cr-O-W,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Cr-O-W +mp-557456,Li4Al3Ge3IO12,-6.6867884478,-2.6183043867,0.0,-0.0138321039,GGA,P-43n,A3B3CD4E12_cP46_218_c_d_a_e_i:Al-Ge-I-Li-O,46.0,A3B3CD4E12_cP46_218_c_d_a_e_i:Al-Ge-I-Li-O +mp-1225452,Eu2Al3Ga,-6.2213179233,-0.4248467379,0.00692173,0.00692173,GGA,R-3m,A3B2C_hR18_166_d_c_a:Al-Eu-Ga,6.0,A3B2C_hR18_166_d_c_a:Al-Eu-Ga +mp-1225194,EuAlGa,-6.14778914,-0.4708979225,0.004079555,0.004079555,GGA,C2/m,ABC_mC12_12_i_i_i:Al-Eu-Ga,6.0,ABC_mC12_12_i_i_i:Al-Eu-Ga +mp-20867,Eu(AlGa)2,-5.186156766,-0.425287665,0.0,-0.059165402,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Eu-Ga,5.0,A2BC2_tI10_139_d_a_e:Al-Eu-Ga +mp-1245772,NaMgN,-4.1126650767,-0.3595649872,0.192995584,0.192995584,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-N-Na,12.0,ABC_oP12_62_c_c_c:Mg-N-Na +mp-1245774,NaMgN,-4.0757066817,-0.3226065922,0.229953979,0.229953979,GGA,P6_3mc,ABC_hP6_186_a_b_b:Mg-N-Na,6.0,ABC_hP6_186_a_b_b:Mg-N-Na +mp-1246506,NaMgN,-3.75170484,0.0013952495,0.5539558207,0.5539558207,GGA,P-6m2,ABC_hP3_187_b_a_c:Mg-N-Na,3.0,ABC_hP3_187_b_a_c:Mg-N-Na +mp-864954,MgMoN2,-8.3269147525,-1.04718475,0.0,-0.2085489142,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:Mg-Mo-N,8.0,ABC2_hP8_194_a_c_f:Mg-Mo-N +mp-1193572,MgMo2(NO5)2,-6.284148131,-0.3220509822,1.3757237627,1.3757237627,GGA+U,P2_1/c,AB2C2D10_mP30_14_a_e_e_5e:Mg-Mo-N-O,30.0,AB2C2D10_mP30_14_a_e_e_5e:Mg-Mo-N-O +mp-541291,Na3MoN3,-6.2296394011,-0.5406807203,0.0,-0.06177597,GGA,Cc,AB3C3_mC56_9_2a_6a_6a:Mo-N-Na,28.0,AB3C3_mC56_9_2a_6a_6a:Mo-N-Na +mp-1245496,Mg3MoN4,-7.0050136806,-0.8809549356,0.1034429037,0.015771123,GGA,P-1,A3BC4_aP16_2_3i_i_4i:Mg-Mo-N,16.0,A3BC4_aP16_2_3i_i_4i:Mg-Mo-N +mp-1245509,Mg3MoN4,-7.0727095213,-0.9486507762,0.0357470631,-0.0519247176,GGA,C2/m,A3BC4_mC32_12_ij_i_2ij:Mg-Mo-N,16.0,A3BC4_mC32_12_ij_i_2ij:Mg-Mo-N +mp-1245510,Mg3MoN4,-7.1084565844,-0.9843978394,0.0,-0.0876717807,GGA,Pmn2_1,A3BC4_oP16_31_ab_a_2ab:Mg-Mo-N,16.0,A3BC4_oP16_31_ab_a_2ab:Mg-Mo-N +mp-1245480,Mg3MoN4,-6.8961928534,-0.7721341084000001,0.212263731,0.1245919502,GGA,P31c,A3BC4_hP144_159_a2b8c_3c_12c:Mg-Mo-N,144.0,A3BC4_hP144_159_a2b8c_3c_12c:Mg-Mo-N +mp-18772,Na4Mo(NO)2,-5.8472114772,-1.1025316376,0.0864567767,0.0864567767,GGA+U,P-1,AB2C4D2_aP18_2_i_2i_4i_2i:Mo-N-Na-O,18.0,"Invalid WP multiplicities - AB2C4D2_aP18_2_i_3i_4i_4i:Mo-N-Na-O, expected Na4MoN3O4 to be Na4Mo(NO)2" +mp-1245367,NaMoN2,-7.7190804013,-0.5087890879,0.030715711,0.030715711,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Mo-N-Na,64.0,AB2C_oP64_61_2c_4c_2c:Mo-N-Na +mp-19105,Na3MoNO3,-6.3673604544,-1.6186370732,0.0320796085,0.0320796085,GGA+U,Pmn2_1,ABC3D3_oP16_31_a_a_ab_ab:Mo-N-Na-O,16.0,"Invalid WP multiplicities - ABC3D3_oP16_31_a_a_2a2b_ab:Mo-N-Na-O, expected Na6MoNO3 to be Na3MoNO3" +mp-1245635,Mg2MoN3,-7.3866405975,-0.8773580999999999,0.1279687096,0.1279687096,GGA,Cmcm,A2BC3_oC24_63_g_c_cg:Mg-Mo-N,12.0,A2BC3_oC24_63_g_c_cg:Mg-Mo-N +mp-2228971,Na6MgMo2(NO3)2,-6.0579794312,-1.4944585989,0.2048338609,0.2048338609,GGA+U,P1,AB2C2D6E6_aP17_1_a_2a_2a_6a_6a:Mg-Mo-N-Na-O,17.0,AB2C2D6E6_aP17_1_a_2a_2a_6a_6a:Mg-Mo-N-Na-O +mp-2229660,Na6MgMo2(NO3)2,-5.9994801971000005,-1.4359593648,0.263333095,0.263333095,GGA+U,Pm,AB2C2D6E6_mP17_6_a_ab_ab_ab2c_ab2c:Mg-Mo-N-Na-O,17.0,"Invalid WP multiplicities - AB2C2D6E6_mP17_6_a_ab_ab_ab3c_ab3c:Mg-Mo-N-Na-O, expected Na8MgMo2(NO4)2 to be Na6MgMo2(NO3)2" +mp-2228981,Na6MgMo2(NO3)2,-5.9887802788,-1.4252594466,0.2740330132,0.2740330132,GGA+U,Pm,AB2C2D6E6_mP17_6_a_ab_ab_ab2c_ab2c:Mg-Mo-N-Na-O,17.0,"Invalid WP multiplicities - AB2C2D6E6_mP17_6_a_ab_ab_ab3c_ab3c:Mg-Mo-N-Na-O, expected Na8MgMo2(NO4)2 to be Na6MgMo2(NO3)2" +mp-2231796,Na8MgMo2(NO)4,-5.5429998358,-0.963814722,0.2829994405,0.2829994405,GGA+U,P1,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O,19.0,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O +mp-2231347,Na8MgMo2(NO)4,-5.56383393,-0.9846488162,0.2621653463,0.2621653463,GGA+U,P1,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O,19.0,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O +mp-2230262,Na8MgMo2(NO)4,-5.5671654132,-0.9879802993,0.2588338632,0.2588338632,GGA+U,P1,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O,19.0,AB2C4D8E4_aP19_1_a_2a_4a_8a_4a:Mg-Mo-N-Na-O +mp-554966,Na5MoNO4,-5.7330055623,-1.5892304398,0.0123174161,0.0123174161,GGA+U,Cmcm,ABC5D4_oC44_63_c_c_aeg_h:Mo-N-Na-O,22.0,"Invalid WP multiplicities - ABC5D4_oC44_63_c_c_2a2e2g_h:Mo-N-Na-O, expected Na10MoNO4 to be Na5MoNO4" +mp-1210425,NaMo3NO10,-7.4645139403,-1.3536567629,0.4858100075,0.4858100075,GGA+U,Pnma,A3BCD10_oP60_62_cd_c_c_4c3d:Mo-N-Na-O,60.0,A3BCD10_oP60_62_cd_c_c_4c3d:Mo-N-Na-O +mp-1029542,Na6MoN4,-5.0953439591,-0.3565456345,0.0325639999999999,0.0325639999999999,GGA,P4_2/nmc,AB4C6_tP22_137_a_g_df:Mo-N-Na,22.0,AB4C6_tP22_137_a_g_df:Mo-N-Na +mp-1029845,Na3Mo2N5,-7.2721184655,-0.5379833930000001,0.0,-0.0116280241,GGA,I4_1,A2B5C3_tI80_80_2b_5b_2a2b:Mo-N-Na,40.0,A2B5C3_tI80_80_2b_5b_2a2b:Mo-N-Na +mp-1029862,Na15Mo7N19,-6.7433616844,-0.5445608613,0.0,-0.0051959104,GGA,P-1,A7B19C15_aP82_2_7i_19i_bd14i:Mo-N-Na,82.0,A7B19C15_aP82_2_7i_19i_bd14i:Mo-N-Na +mp-1047841,CaMo3P3O13,-8.3003108183,-2.5458402694,0.0147229402,0.0147229402,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Mo-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Mo-O-P, expected CaMo5P3O34 to be CaMo3P3O13" +mp-19057,CaNiP2O7,-7.5622971805,-2.7223733121,0.0055014399,0.0055014399,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Ni-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Ni-O-P +mp-1042016,CaNiP2O7,-7.5521873923,-2.7122635239,0.0156112281,0.0156112281,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Ni-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Ni-O-P +mp-1048399,CaNiP2O7,-7.5424443945,-2.7025205262,0.0253542258,0.0253542258,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Ni-O-P, expected CaNiP7O23 to be CaNiP2O7" +mp-1044205,CaMo2(PO5)2,-8.1992775017,-2.5999180199,0.0213178823,0.0213178823,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Mo-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Mo-O-P, expected CaMo2(PO18)2 to be CaMo2(PO5)2" +mp-1043759,CaNiMoP2O9,-7.8591570382,-2.5750006036,0.0017017124,0.0017017124,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Mo-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Mo-Ni-O-P +mp-1229261,Ca17Ni19(PO4)24,-7.4526954324,-2.653213565,0.0326485193,0.0326485193,GGA+U,P1,A17B19C96D24_aP156_1_17a_19a_96a_24a:Ca-Ni-O-P,156.0,A17B19C96D24_aP156_1_17a_19a_96a_24a:Ca-Ni-O-P +mp-1340075,CaNi2(P2O7)2,-7.3510976652,-2.3762059879,0.0756412404,0.0756412404,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Ni-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Ni-O-P +mp-1040914,CaNi2(PO4)2,-7.425571995,-2.505111384,0.0120896042,0.0120896042,GGA+U,C2/c,AB2C8D2_mC104_15_f_cef_8f_2f:Ca-Ni-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Ca-Ni-O-P, expected Ca2Ni7(PO5)12 to be CaNi2(PO4)2" +mp-1040876,CaMo2P2O9,-8.2947898287,-2.6488110063,0.0,-0.0363997992,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Mo-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Ca-Mo-O-P, expected CaMo2P2O11 to be CaMo2P2O9" +mp-1214124,Ca5Ni9P7,-5.5131604524,-0.7540010683,0.0377806084,0.0377806084,GGA,P-6,A5B9C7_hP21_174_adj_j2k_fjk:Ca-Ni-P,21.0,A5B9C7_hP21_174_adj_j2k_fjk:Ca-Ni-P +mp-1045813,CaNi(PO3)4,-7.6176405269,-2.6843510202000003,0.0,-0.0070993023,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Ni-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Ni-O-P +mp-1378551,CaNi2(PO5)2,-6.7723935853,-1.8484358943,0.3331382955,0.3331382955,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Ni-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Ni-O-P, expected CaNi2(PO18)2 to be CaNi2(PO5)2" +mp-19473,CaNi3(P2O7)2,-7.4960057786,-2.4845120557,0.0,-0.0096148473,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Ni-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Ni-O-P +mp-1043475,CaNi2P2O9,-7.1843020454,-2.2619679986,0.075432919,0.075432919,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Ni-O-P,56.0,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Ni-O-P +mp-4064,Ca(NiP)2,-5.729861054,-0.8513654033,0.0,-0.0883618238,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Ca-Ni-P +mp-510001,Ca2Ni7P4,-5.8327673181,-0.7462006606,0.0,-0.0913041965,GGA,Pmn2_1,A2B7C4_oP26_31_2a_7a_4a:Ca-Ni-P,26.0,A2B7C4_oP26_31_2a_7a_4a:Ca-Ni-P +mp-1032151,Mg6VCuO8,-6.5539213069,-2.6565273862,0.1196625956,0.1196625956,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-V, expected Mg6VCuO12 to be Mg6VCuO8" +mp-1032202,Mg6VCuO8,-6.5558283906,-2.65843447,0.1177555119,0.1177555119,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-V, expected Mg6VCuO12 to be Mg6VCuO8" +mp-2228481,MgMn3(CuO4)2,-7.2345820121,-1.7447070867,0.0917114319,0.0917114319,GGA+U,P-1,A2BC3D8_aP14_2_i_b_ei_4i:Cu-Mg-Mn-O,14.0,"Invalid WP multiplicities - A2BC3D8_aP14_2_i_b_ei_5i:Cu-Mg-Mn-O, expected MgMn3(CuO5)2 to be MgMn3(CuO4)2" +mp-2228558,MgMn3(CuO4)2,-7.223883105,-1.7340081796,0.1024103391,0.1024103391,GGA+U,C2/m,A2BC3D8_mC28_12_i_a_bh_2ij:Cu-Mg-Mn-O,14.0,A2BC3D8_mC28_12_i_a_bh_2ij:Cu-Mg-Mn-O +mp-652548,MgMn3(CuO4)2,-7.3183055587,-1.8284306333,0.0079878853,0.0079878853,GGA+U,P4_332,A2BC3D8_cP56_212_c_a_d_ce:Cu-Mg-Mn-O,56.0,"Invalid WP multiplicities - A2BC3D8_cP56_212_c_a_d_4c5e:Cu-Mg-Mn-O, expected MgMn3(CuO19)2 to be MgMn3(CuO4)2" +mp-1035395,Mg14VCuO16,-6.4424139163,-2.8569747656,0.058140375,0.058140375,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-V, expected Mg18VCuO20 to be Mg14VCuO16" +mp-1035413,Mg14VCuO16,-6.434403355,-2.8489642044,0.0661509362,0.0661509362,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-V, expected Mg30VCuO32 to be Mg14VCuO16" +mp-2219125,MgV2(CuO4)2,-7.1762554354,-1.9808696492,0.0651436791,0.0651436791,GGA+U,C2/m,A2BC8D2_mC26_12_f_a_2ij_i:Cu-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_e_a_4i2j_i:Cu-Mg-O-V, expected MgV2(CuO8)2 to be MgV2(CuO4)2" +mp-560291,MgV2(CuO4)2,-7.2270001492,-2.0316143631,0.0143989653,0.0143989653,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-V,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-V, expected MgV5(Cu3O13)2 to be MgV2(CuO4)2" +mp-2219394,MgV2(CuO4)2,-7.0961835154,-1.9007977292,0.1452155991,0.1452155991,GGA+U,Imm2,A2BC8D2_oI26_44_c_a_2c2d_ab:Cu-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_c_a_3c3d_ab:Cu-Mg-O-V, expected MgV2(CuO6)2 to be MgV2(CuO4)2" +mp-2219379,MgMn3CuO8,-7.4286909385,-1.8318415318,0.0646734541,0.0646734541,GGA+U,Cm,ABC3D8_mC26_8_a_a_ab_4a2b:Cu-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_8_a_a_a2b_4a4b:Cu-Mg-Mn-O, expected MgMn5CuO12 to be MgMn3CuO8" +mp-2218910,MgMn3CuO8,-7.4151998315,-1.8183504249,0.078164561,0.078164561,GGA+U,C2/m,ABC3D8_mC26_12_a_b_ce_2ij:Cu-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_a_ce_3i2j:Cu-Mg-Mn-O, expected MgMn3CuO14 to be MgMn3CuO8" +mp-2218865,MgMn3CuO8,-7.3946399869,-1.7977905803,0.0987244056,0.0987244056,GGA+U,C2/m,ABC3D8_mC26_12_a_c_be_2ij:Cu-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_c_af_4i3j:Cu-Mg-Mn-O, expected MgMn3CuO20 to be MgMn3CuO8" +mp-2219075,MgMn3CuO8,-7.4206530531,-1.8238036464,0.0727113395,0.0727113395,GGA+U,R-3m,ABC3D8_hR39_166_b_a_d_ch:Cu-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_hR39_166_b_a_d_2c2h:Cu-Mg-Mn-O, expected MgMn3CuO16 to be MgMn3CuO8" +mp-2219201,MgMn3CuO8,-7.4251566785,-1.8283072718,0.0682077141,0.0682077141,GGA+U,R-3m,ABC3D8_hR39_166_a_b_d_ch:Cu-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_hR39_166_a_b_d_2ch:Cu-Mg-Mn-O, expected MgMn3CuO10 to be MgMn3CuO8" +mp-2228672,MgMn4(CuO4)2,-7.4905515327,-1.7558672494,0.1586124133,0.1586124133,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:Cu-Mg-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:Cu-Mg-Mn-O +mp-2228757,MgMn4(CuO4)2,-7.5413398833,-1.8066556001,0.1078240627,0.1078240627,GGA+U,P-1,A2BC4D8_aP15_2_i_d_abce_4i:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_aP15_2_i_d_abce_8i:Cu-Mg-Mn-O, expected MgMn4(CuO8)2 to be MgMn4(CuO4)2" +mp-2228725,MgMn4(CuO4)2,-7.466868178,-1.7321838948,0.182295768,0.182295768,GGA+U,Cm,A2BC4D8_mC30_8_2a_a_2ab_4a2b:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_8_2a_a_2a2b_4a4b:Cu-Mg-Mn-O, expected MgMn6(CuO6)2 to be MgMn4(CuO4)2" +mp-2228630,MgMn4(CuO4)2,-7.430729106,-1.6960448228,0.21843484,0.21843484,GGA+U,C2/m,A2BC4D8_mC30_12_ac_b_ei_2ij:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_12_ac_b_fi_4i2j:Cu-Mg-Mn-O, expected MgMn4(CuO8)2 to be MgMn4(CuO4)2" +mp-2228656,MgMn4(CuO4)2,-7.4643847347,-1.7297004514,0.1847792113,0.1847792113,GGA+U,C2/m,A2BC4D8_mC30_12_f_b_aci_2ij:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_12_f_a_bci_3i3j:Cu-Mg-Mn-O, expected MgMn4(CuO9)2 to be MgMn4(CuO4)2" +mp-2232359,MgMn4(CuO4)2,-7.4009620567,-1.6662777734,0.2482018893,0.2482018893,GGA+U,Imm2,A2BC4D8_oI30_44_c_a_abd_2c2d:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_c_a_abd_3c4d:Cu-Mg-Mn-O, expected MgMn4(CuO7)2 to be MgMn4(CuO4)2" +mp-2228755,MgMn4(CuO4)2,-7.404979082,-1.6702947988,0.244184864,0.244184864,GGA+U,Imm2,A2BC4D8_oI30_44_c_a_abd_2c2d:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_c_a_abd_3c4d:Cu-Mg-Mn-O, expected MgMn4(CuO7)2 to be MgMn4(CuO4)2" +mp-2227051,MgMnCuO2,-6.443089294,-1.4921134071,0.52144477,0.52144477,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Mn-O,5.0,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Mn-O +mp-2228221,MgMnCuO2,-6.472064214,-1.5210883271,0.49246985,0.49246985,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Mn-O,5.0,ABCD2_mC10_8_a_a_a_2a:Cu-Mg-Mn-O +mp-1041410,MgMn2(CuO4)2,-6.6566608498,-1.4492582603,0.2052447846,0.2052447846,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:Cu-Mg-Mn-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_6e_e_5e_26e:Cu-Mg-Mn-O, expected MgMn5(Cu3O13)2 to be MgMn2(CuO4)2" +mp-1038313,Mg30MnCuO32,-6.3704652161,-2.9397829939,0.0196525498,0.0196525498,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cu-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cu-Mg-Mn-O, expected Mg110MnCuO72 to be Mg30MnCuO32" +mp-1037989,Mg30MnCuO32,-6.3754443858,-2.9447621636,0.0146733801,0.0146733801,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cu-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cu-Mg-Mn-O, expected Mg90MnCuO80 to be Mg30MnCuO32" +mp-2228525,MgMn4CuO8,-7.7305410907,-1.879036978,0.1462887048,0.1462887048,GGA+U,P-1,ABC4D8_aP14_2_a_h_bcdf_4i:Cu-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_aP14_2_a_h_bcdf_7i:Cu-Mg-Mn-O, expected MgMn4CuO14 to be MgMn4CuO8" +mp-2228575,MgMn4CuO8,-7.8107214136,-1.9592173008,0.0661083819,0.0661083819,GGA+U,Cm,ABC4D8_mC28_8_a_a_2ab_4a2b:Cu-Mg-Mn-O,14.0,ABC4D8_mC28_8_a_a_2ab_4a2b:Cu-Mg-Mn-O +mp-2242195,MgMn4CuO8,-7.7088681493,-1.8573640366,0.1679616462,0.1679616462,GGA+U,Cm,ABC4D8_mC28_8_a_a_2ab_4a2b:Cu-Mg-Mn-O,14.0,ABC4D8_mC28_8_a_a_2ab_4a2b:Cu-Mg-Mn-O +mp-2228568,MgMn4CuO8,-7.7550994336,-1.9035953208,0.1217303619,0.1217303619,GGA+U,C2/m,ABC4D8_mC28_12_a_d_bce_2ij:Cu-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_12_a_d_bce_3i2j:Cu-Mg-Mn-O, expected MgMn4CuO14 to be MgMn4CuO8" +mp-1103557,MgVCuO4,-7.1569052357,-2.2183127164,0.0339014114,0.0339014114,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Cu-Mg-O-V,14.0,ABC4D_oC28_63_c_a_fg_c:Cu-Mg-O-V +mp-1188418,MgV2(CuO6)2,-6.3068553147,-1.1699864874,0.4151670135,0.4151670135,GGA+U,C2/m,A2BC12D2_mC34_12_e_b_ac3ij_i:Cu-Mg-O-V,,A2BC12D2_mC34_12_f_a_bc3ij_i:Cu-Mg-O-V +mp-1032873,Mg6MnCuO8,-6.526815085,-2.624539338,0.0510819384,0.0510819384,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cu-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cu-Mg-Mn-O, expected Mg6MnCuO12 to be Mg6MnCuO8" +mp-1032892,Mg6MnCuO8,-6.5368967488,-2.6346210017,0.0410002747,0.0410002747,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cu-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cu-Mg-Mn-O, expected Mg6MnCuO12 to be Mg6MnCuO8" +mp-754799,MnV4CuO12,-8.0880242233,-2.0348514024,0.1313251781,0.1313251781,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cu-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Cu-Mn-O-V, expected MnV8CuO24 to be MnV4CuO12" +mp-2228442,MgV2Cu3O8,-6.929690525,-1.8126032471,0.1147249625,0.1147249625,GGA+U,P1,A3BC8D2_aP14_1_3a_a_8a_2a:Cu-Mg-O-V,14.0,A3BC8D2_aP14_1_3a_a_8a_2a:Cu-Mg-O-V +mp-2228461,MgV2Cu3O8,-6.8398109657,-1.7227236879,0.2046045218,0.2046045218,GGA+U,P-1,A3BC8D2_aP14_2_bi_c_4i_i:Cu-Mg-O-V,14.0,"Invalid WP multiplicities - A3BC8D2_aP14_2_bi_c_6i_i:Cu-Mg-O-V, expected MgV2(CuO4)3 to be MgV2Cu3O8" +mp-2230878,MgMnV4CuO12,-8.0531134026,-2.2343033591,0.0965625507,0.0965625507,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Cu-Mg-Mn-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Cu-Mg-Mn-O-V +mp-2230033,MgMnV4CuO12,-8.0571722384,-2.2383621949,0.0925037149,0.0925037149,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Cu-Mg-Mn-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Cu-Mg-Mn-O-V +mp-1223612,Mg2V6Cu4O21,-7.4946511538,-2.1012788466,0.0002179116,0.0002179116,GGA+U,P1,A4B2C21D6_aP66_1_8a_4a_42a_12a:Cu-Mg-O-V,66.0,A4B2C21D6_aP66_1_8a_4a_42a_12a:Cu-Mg-O-V +mp-2230742,MgV5CuO12,-8.0836488995,-2.2689498676,0.1278388495,0.1278388495,GGA+U,C2,ABC12D5_mC38_5_a_a_6c_b2c:Cu-Mg-O-V,19.0,"Invalid WP multiplicities - ABC12D5_mC38_5_a_a_12c_b4c:Cu-Mg-O-V, expected MgV9CuO24 to be MgV5CuO12" +mp-2240692,MgV2(CuO3)2,-7.23979079,-1.9991873539,0.1150669195,0.1150669195,GGA+U,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Cu-Mg-O-V,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Cu-Mg-O-V +mp-2217700,MgV2(CuO3)2,-7.1374918227,-1.8968883866,0.2173658868,0.2173658868,GGA+U,P-1,A2BC6D2_aP11_2_i_a_3i_i:Cu-Mg-O-V,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_6i_i:Cu-Mg-O-V, expected MgV2(CuO6)2 to be MgV2(CuO3)2" +mp-2224170,MgV2(CuO3)2,-7.2481053536,-2.0075019175,0.1067523559,0.1067523559,GGA+U,P-1,A2BC6D2_aP11_2_i_a_3i_i:Cu-Mg-O-V,11.0,"Invalid WP multiplicities - A2BC6D2_aP11_2_i_a_6i_i:Cu-Mg-O-V, expected MgV2(CuO6)2 to be MgV2(CuO3)2" +mp-2216995,MgMn4(CuO4)3,-6.9659414245,-1.4706301363,0.2226645997,0.2226645997,GGA+U,P1,A3BC4D12_aP20_1_3a_a_4a_12a:Cu-Mg-Mn-O,20.0,A3BC4D12_aP20_1_3a_a_4a_12a:Cu-Mg-Mn-O +mp-2216838,MgMn4(CuO4)3,-7.0805517245,-1.5852404363,0.1080542998,0.1080542998,GGA+U,Cm,A3BC4D12_mC40_8_3a_a_2b_4a4b:Cu-Mg-Mn-O,20.0,"Invalid WP multiplicities - A3BC4D12_mC40_8_3a_a_2b_4a8b:Cu-Mg-Mn-O, expected MgMn4Cu3O20 to be MgMn4(CuO4)3" +mp-1043121,MgMn4(CuO4)3,-7.106393354,-1.6110820658,0.0822126702,0.0822126702,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Mn-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Mn-O +mp-1233280,MgV4(CuO4)3,-7.2847678755,-1.8050784318,0.2883884833,0.2883884833,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Cu-Mg-O-V,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Cu-Mg-O-V +mp-1233672,MgV4(CuO4)3,-7.419375645,-1.9396862013,0.1537807138,0.1537807138,GGA+U,R-3,A3BC12D4_hR60_148_d_b_2f_ae:Cu-Mg-O-V,20.0,"Invalid WP multiplicities - A3BC12D4_aP20_2_aef_g_10i_bcdh:Cu-Mg-O-V, expected MgV4Cu3O20 to be MgV4(CuO4)3" +mp-1043180,MgV4(CuO4)3,-7.4702454625,-1.9905560188,0.1029108963,0.1029108963,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-V,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Mg-O-V +mp-2232653,MgMn3Cu3O8,-7.0169007553,-1.6197370469,0.135560451,0.135560451,GGA+U,C2,A3BC3D8_mC30_5_ac_a_bc_4c:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A3BC3D8_mC30_5_ac_a_bc_8c:Cu-Mg-Mn-O, expected MgMn3Cu3O16 to be MgMn3Cu3O8" +mp-2232994,MgMn3Cu3O8,-6.8207561633000005,-1.4235924549,0.331705043,0.331705043,GGA+U,R3m,A3BC3D8_hR45_160_3a_a_b_2a2b:Cu-Mg-Mn-O,15.0,A3BC3D8_hR45_160_3a_a_b_2a2b:Cu-Mg-Mn-O +mp-2232189,MgMn3Cu3O8,-6.9492188933,-1.5520551849,0.203242313,0.203242313,GGA+U,R-3m,A3BC3D8_hR45_166_ac_b_d_ch:Cu-Mg-Mn-O,15.0,"Invalid WP multiplicities - A3BC3D8_hR45_166_ac_b_d_2ch:Cu-Mg-Mn-O, expected MgMn3Cu3O10 to be MgMn3Cu3O8" +mp-2230686,MgMn5CuO12,-7.6141363811,-1.7788822908,0.0892631636,0.0892631636,GGA+U,P1,ABC5D12_aP19_1_a_a_5a_12a:Cu-Mg-Mn-O,19.0,ABC5D12_aP19_1_a_a_5a_12a:Cu-Mg-Mn-O +mp-2230860,MgMn5CuO12,-7.603659289999999,-1.7684051997,0.0997402546,0.0997402546,GGA+U,Cm,ABC5D12_mC38_8_a_a_a2b_4a4b:Cu-Mg-Mn-O,19.0,"Invalid WP multiplicities - ABC5D12_mC38_8_a_a_a3b_4a7b:Cu-Mg-Mn-O, expected MgMn7CuO18 to be MgMn5CuO12" +mp-2230846,MgMn5CuO12,-7.6086473853,-1.773393295,0.0947521594,0.0947521594,GGA+U,Cm,ABC5D12_mC38_8_a_a_a2b_4a4b:Cu-Mg-Mn-O,19.0,"Invalid WP multiplicities - ABC5D12_mC38_8_a_a_a3b_4a7b:Cu-Mg-Mn-O, expected MgMn7CuO18 to be MgMn5CuO12" +mp-2241479,MgMn2V2(CuO4)2,-7.636561662,-1.9122919417,0.2070346502,0.2070346502,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cu-Mg-Mn-O-V,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cu-Mg-Mn-O-V +mp-2233102,MgMn2V2(CuO4)2,-7.5941758747,-1.8699061544,0.2494204375,0.2494204375,GGA+U,Amm2,A2BC2D8E2_oC30_38_ab_a_c_2cde_ab:Cu-Mg-Mn-O-V,15.0,"Invalid WP multiplicities - A2BC2D8E2_oC30_38_ab_a_c_3c2d2e_ab:Cu-Mg-Mn-O-V, expected MgMn2V2(CuO7)2 to be MgMn2V2(CuO4)2" +mp-2240255,MgV2CuO6,-7.541317655,-2.1865745423,0.1343125155,0.1343125155,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Cu-Mg-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Cu-Mg-O-V +mp-2240436,MgV2CuO6,-7.595352012,-2.2406088993,0.0802781585,0.0802781585,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Cu-Mg-O-V,,ABC6D2_mC20_8_a_a_6a_2a:Cu-Mg-O-V +mp-1222158,MgV4Cu3O14,-7.4602385559,-2.0290037242,0.0,-0.0003230032,GGA+U,P1,A3BC14D4_aP22_1_3a_a_14a_4a:Cu-Mg-O-V,22.0,A3BC14D4_aP22_1_3a_a_14a_4a:Cu-Mg-O-V +mp-2219311,MgV3CuO8,-7.7877410715,-2.20891687,0.1489479192,0.1489479192,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Cu-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Cu-Mg-O-V +mp-2219529,MgV3CuO8,-7.8048288838,-2.2260046823,0.1318601069,0.1318601069,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Cu-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Cu-Mg-O-V +mp-1105842,MnV4(CuO4)3,-7.7443952035,-1.8866189976,0.1051887415,0.1051887415,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Mn-O-V,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Mn-O-V +mp-510459,MnVCuO4,-7.9469726429,-1.9281322318,0.0336271079,0.0336271079,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Cu-Mn-O-V,14.0,ABC4D_oC28_63_c_a_fg_c:Cu-Mn-O-V +mp-1036333,Mg14MnCuO16,-6.4268728159,-2.8389927521,0.0258380358,0.0258380358,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cu-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cu-Mg-Mn-O, expected Mg18MnCuO20 to be Mg14MnCuO16" +mp-1036234,Mg14MnCuO16,-6.4220214866,-2.8341414227,0.0306893652,0.0306893652,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cu-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cu-Mg-Mn-O, expected Mg30MnCuO32 to be Mg14MnCuO16" +mp-1193941,Mg2V2CuO8,-7.3927168854,-2.3895562238,0.0244986619,0.0244986619,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Cu-Mg-O-V,26.0,AB2C8D2_mP26_14_a_e_4e_e:Cu-Mg-O-V +mp-1037390,Mg30VCuO32,-6.3831972289,-2.9537354633,0.0308422567,0.0308422567,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-V, expected Mg90VCuO80 to be Mg30VCuO32" +mp-1037549,Mg30VCuO32,-6.3829647442,-2.9535029786,0.0310747414,0.0310747414,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-V, expected Mg110VCuO72 to be Mg30VCuO32" +mp-1041772,MgV2CuO7,-7.5480723997,-2.2304251416,0.0160576847,0.0160576847,GGA+U,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Cu-Mg-O-V,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Cu-Mg-O-V, expected Mg4V9Cu4O39 to be MgV2CuO7" +mp-2223050,MgVCuO3,-6.95027256,-2.013029406,0.3000767133,0.3000767133,GGA+U,Cm,ABC3D_mC12_8_a_a_3a_a:Cu-Mg-O-V,6.0,ABC3D_mC12_8_a_a_3a_a:Cu-Mg-O-V +mp-1028315,Mg14VSi,-2.214916275,0.092155275,0.1756296789,0.1756296789,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-V, expected Mg18VSi to be Mg14VSi" +mp-1028302,Mg14VSi,-2.2100781088,0.0969934412,0.1804678452,0.1804678452,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-V, expected Mg26VSi to be Mg14VSi" +mp-1262955,V2Zn3(Si2O7)2,-7.5572959391,-2.6485151979,0.0879891177,0.0879891177,GGA+U,C2/c,A14B4C2D3_mC92_15_7f_2f_ae_ef:O-Si-V-Zn,46.0,"Invalid WP multiplicities - A14B4C2D3_mC92_15_27f_5f_ae_2e2f:O-Si-V-Zn, expected VZn3Si5O27 to be V2Zn3(Si2O7)2" +mp-1132757,MgV(SiO3)2,-8.1302786328,-3.008783188,0.0234345776,0.0234345776,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-V,40.0,AB6C2D_mC40_15_e_3f_f_e:Mg-O-Si-V +mp-1041866,MgV(SiO3)2,-8.1354413378,-3.013945893,0.0182718726,0.0182718726,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Mg-O-Si-V,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Mg-O-Si-V, expected MgVSi8O41 to be MgV(SiO3)2" +mp-14043,Mg3V2(SiO4)3,-7.9326637616,-3.0024202159,0.0585159484,0.0585159484,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-V,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-V +mp-1251134,V2Zn3(SiO4)3,-7.3625129133,-2.4833498335,0.1734253161,0.1734253161,GGA+U,Ia-3d,A12B3C2D3_cI160_230_h_d_a_c:O-Si-V-Zn,80.0,A12B3C2D3_cI160_230_h_d_a_c:O-Si-V-Zn +mp-1250278,Mg2V2(SiO4)3,-8.0110914322,-2.9055866499,0.1033376783,0.1033376783,GGA+U,I4_1/acd,A2B12C3D2_tI152_142_e_3g_ae_c:Mg-O-Si-V,76.0,"Invalid WP multiplicities - A2B12C3D2_tI152_142_e_34g_3a4e_c:Mg-O-Si-V, expected Mg2V2Si11O136 to be Mg2V2(SiO4)3" +mp-1264059,MgVSiO5,-8.01063287,-2.9052644067,0.0550772163,0.0550772163,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Mg-O-Si-V,32.0,"Invalid WP multiplicities - AB5CD_aP16_1_2a_10a_2a_4a:Mg-O-Si-V, expected MgV2SiO5 to be MgVSiO5" +mp-1046694,MgVSiO5,-7.9866405812,-2.881272118,0.079069505,0.079069505,GGA+U,Cc,AB5CD_mC32_9_a_5a_a_a:Mg-O-Si-V,16.0,AB5CD_mC32_15_e_e2f_e_c:Mg-O-Si-V +mp-1034446,Mg14VSiO16,-6.4501088603,-2.8232287297000003,0.1722186519,0.1722186519,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-V,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-V, expected Mg18VSiO20 to be Mg14VSiO16" +mp-1034449,Mg14VSiO16,-6.4513935363,-2.8245134056000003,0.1709339759,0.1709339759,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-V,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-V, expected Mg30VSiO32 to be Mg14VSiO16" +mp-1043519,MgV(Si2O5)2,-8.1387972752,-3.0230256906,0.0976224463,0.0976224463,GGA+U,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Mg-O-Si-V,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Mg-O-Si-V, expected MgV(Si2O11)2 to be MgV(Si2O5)2" +mp-1036736,Mg30VSiO32,-6.3896202017,-2.9394379461,0.0853058944,0.0853058944,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-V, expected Mg110VSiO72 to be Mg30VSiO32" +mp-1036757,Mg30VSiO32,-6.3891530642,-2.9389708086,0.0857730319,0.0857730319,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-V, expected Mg90VSiO80 to be Mg30VSiO32" +mp-1249045,VZn(SiO3)2,-7.825648133,-2.7382063323,0.0422307818,0.0422307818,GGA+U,C2/c,A6B2CD_mC40_15_3f_f_e_e:O-Si-V-Zn,40.0,A6B2CD_mC40_15_3f_f_e_e:O-Si-V-Zn +mp-1041874,VZn(SiO3)2,-7.7882172896,-2.7007754889,0.0796616252,0.0796616252,GGA+U,Pbca,A6B2CD_oP80_61_6c_2c_c_c:O-Si-V-Zn,80.0,"Invalid WP multiplicities - A6B2CD_oP80_61_41c_8c_c_c:O-Si-V-Zn, expected VZnSi8O41 to be VZn(SiO3)2" +mp-1234721,MgV2Zn2(SiO5)2,-7.4589234376,-2.5997997563,0.1085887504,0.1085887504,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn +mp-2215850,MgV2Zn2(SiO5)2,-7.4392798165,-2.5801561351,0.1282323716,0.1282323716,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn +mp-2215933,MgV2Zn2(SiO5)2,-7.4585879576,-2.5994642763,0.1089242304,0.1089242304,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn +mp-2215900,MgV2Zn2(SiO5)2,-7.3816531041,-2.5225294228,0.1858590839,0.1858590839,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Mg-O-Si-V-Zn +mp-2215892,MgV2Zn2(SiO5)2,-7.4831879994,-2.6240643181000003,0.0843241886,0.0843241886,GGA+U,P-1,AB10C2D2E2_aP17_2_d_5i_i_ab_i:Mg-O-Si-V-Zn,17.0,"Invalid WP multiplicities - AB10C2D2E2_aP17_2_d_9i_i_ab_i:Mg-O-Si-V-Zn, expected MgV2Zn2(SiO9)2 to be MgV2Zn2(SiO5)2" +mp-1046716,VZnSiO5,-7.6273544541,-2.5645530458,0.0495590091,0.0495590091,GGA+U,P-1,A5BCD_aP16_2_5i_i_ab_i:O-Si-V-Zn,32.0,"Invalid WP multiplicities - A5BCD_aP16_2_5i_i_2a2b_i:O-Si-V-Zn, expected V2ZnSiO5 to be VZnSiO5" +mp-1021687,Mg6VSi,-2.8632889075,0.1505741425,0.295530659,0.295530659,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-V, expected Mg12VSi to be Mg6VSi" +mp-1021694,Mg6VSi,-2.8445000769,0.1693629731,0.3143194896,0.3143194896,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-V, expected Mg12VSi to be Mg6VSi" +mp-1043518,VZn(Si2O5)2,-7.9348455692,-2.8403575122,0.1229277176,0.1229277176,GGA+U,P4/ncc,A10B4CD_tP64_130_f2g_g_c_b:O-Si-V-Zn,64.0,"Invalid WP multiplicities - A10B4CD_tP64_130_f5g_g_c_b:O-Si-V-Zn, expected VZn(Si2O11)2 to be VZn(Si2O5)2" +mp-2230369,MgV2(SiO3)4,-8.20136241,-2.8945398392,0.1722794659,0.1722794659,GGA+U,C2,AB12C4D2_mC38_5_a_6c_2c_ab:Mg-O-Si-V,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_5_a_12c_4c_ab:Mg-O-Si-V, expected MgV2(SiO3)8 to be MgV2(SiO3)4" +mp-2230687,MgV2(SiO3)4,-8.2814352047,-2.9746126339,0.0922066711,0.0922066711,GGA+U,C2,AB12C4D2_mC38_5_a_6c_2c_ab:Mg-O-Si-V,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_5_a_12c_4c_ab:Mg-O-Si-V, expected MgV2(SiO3)8 to be MgV2(SiO3)4" +mp-1250648,Mg3V2(Si2O7)2,-7.9576623789,-3.0044638412,0.0834848351,0.0834848351,GGA+U,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Mg-O-Si-V,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Mg-O-Si-V, expected Mg3VSi5O27 to be Mg3V2(Si2O7)2" +mp-1031664,Mg6VSiO8,-6.5786038769,-2.5983279962,0.3385264675,0.3385264675,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-V, expected Mg6VSiO12 to be Mg6VSiO8" +mp-1031682,Mg6VSiO8,-6.5855688788,-2.6052929981,0.3315614656,0.3315614656,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-V, expected Mg6VSiO12 to be Mg6VSiO8" +mp-1261307,MgV2(SiO4)3,-8.0042774151,-2.7040379254,0.1954307632,0.1954307632,GGA+U,I4_1/acd,AB12C3D2_tI144_142_b_3g_ae_c:Mg-O-Si-V,72.0,"Invalid WP multiplicities - AB12C3D2_tI144_142_b_37g_4a3e_c:Mg-O-Si-V, expected MgV2(Si5O74)2 to be MgV2(SiO4)3" +mp-721586,BaSi2(H3O4)2,-6.5219869112,-2.24554709,0.0150775376,0.0150775376,GGA,P2_1/c,AB6C8D2_mP68_14_e_6e_8e_2e:Ba-H-O-Si,68.0,AB6C8D2_mP68_14_e_6e_8e_2e:Ba-H-O-Si +mp-1228645,BaSi(HO2)2,-6.7947678881,-2.5552054,0.0535502216,0.0535502216,GGA,P-1,AB2C4D_aP32_2_2i_4i_8i_2i:Ba-H-O-Si,32.0,AB2C4D_aP32_2_2i_4i_8i_2i:Ba-H-O-Si +mp-1236963,BaSi(HO2)2,-6.80827621,-2.5687137219,0.0400418997,0.0400418997,GGA,P-1,AB2C4D_aP32_2_2i_4i_8i_2i:Ba-H-O-Si,32.0,AB2C4D_aP32_2_2i_4i_8i_2i:Ba-H-O-Si +mp-995225,CsBaSiHO4,-6.5896547137,-2.6622576847,0.0441374717,0.0441374717,GGA,P2_1,ABCD4E_mP16_4_a_a_a_4a_a:Ba-Cs-H-O-Si,16.0,ABCD4E_mP16_4_a_a_a_4a_a:Ba-Cs-H-O-Si +mp-867937,Ca2SiB5O14,-7.6798088783,-2.5849398509,0.1815267641,0.1815267641,GGA,P2_1/c,A5B2C14D_mP88_14_5e_2e_14e_e:B-Ca-O-Si,88.0,A5B2C14D_mP88_14_5e_2e_14e_e:B-Ca-O-Si +mp-8271,Ba2Ca(BO2)6,-8.1280340624,-3.1146928757,0.0,-0.0064819501,GGA,R-3,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Ca-O,21.0,"Invalid WP multiplicities - A6B2CD12_hR63_148_f_c_a_4f:B-Ba-Ca-O, expected Ba2Ca(BO4)6 to be Ba2Ca(BO2)6" +mp-752851,Ca2SiB2O7,-8.0333379829,-3.2481611237,0.0142793251,0.0142793251,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:B-Ca-O-Si,24.0,"Invalid WP multiplicities - A2B2C7D_tP24_113_e_e_2c4e6f_a:B-Ca-O-Si, expected Ca2Si(BO17)2 to be Ca2SiB2O7" +mp-1227192,Ca4Si3(BO4)5,-7.7714616188,-2.8768026597,0.1029097761,0.1029097761,GGA,P1,A5B4C20D3_aP32_1_5a_4a_20a_3a:B-Ca-O-Si,32.0,A5B4C20D3_aP32_1_5a_4a_20a_3a:B-Ca-O-Si +mp-1019542,BaCaB2O5,-7.8762184414,-3.207684895,0.0,-0.0093833838,GGA,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Ba-Ca-O,72.0,A2BCD5_mP72_14_4e_2e_2e_10e:B-Ba-Ca-O +mp-732197,CaSiBO5,-7.8353614809,-2.9798923263,0.0803368043,0.0803368043,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:B-Ca-O-Si,32.0,ABC5D_mP32_14_e_e_5e_e:B-Ca-O-Si +mp-6419,CaSi2(BO4)2,-8.2555837992,-3.1949277091,0.0,-0.0013471977,GGA,Pnma,A2BC8D2_oP52_62_d_c_2c3d_d:B-Ca-O-Si,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_62_d_c_2c4d_d:B-Ca-O-Si, expected CaSi2(BO5)2 to be CaSi2(BO4)2" +mp-1019518,Ba2CaSi4(BO7)2,-8.1026276635,-3.3131821253,0.0,-0.0152368287,GGA,I-42m,A2B2CD14E4_tI92_121_f_i_e_i3j_j:B-Ba-Ca-O-Si,46.0,A2B2CD14E4_tI92_121_f_i_e_i3j_j:B-Ba-Ca-O-Si +mp-1019526,Ba3Si2(B3O8)2,-8.1834309356,-3.1526557176,0.0,-0.0062852376,GGA,P-1,A6B3C16D2_aP27_2_3i_ai_8i_i:B-Ba-O-Si,27.0,A6B3C16D2_aP27_2_3i_ai_8i_i:B-Ba-O-Si +mp-555387,BaSi2(BO4)2,-8.2528289665,-3.1988363333,0.0,-0.0106801937,GGA,Pnma,A2BC8D2_oP52_62_d_c_2c3d_d:B-Ba-O-Si,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_62_d_c_7c21d_d:B-Ba-O-Si, expected BaSi2B2O49 to be BaSi2(BO4)2" +mp-549737,Ba2Ca(BO3)2,-7.6692423427,-3.2253818364,0.0,-0.0280419153,GGA,C2/m,A2B2CD6_mC22_12_i_i_a_ij:B-Ba-Ca-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_12_i_i_a_2i2j:B-Ba-Ca-O, expected Ba2Ca(BO6)2 to be Ba2Ca(BO3)2" +mp-1379905,Ba2V2ZnCuF14,-5.9135457057,-3.2072748135,0.012783986,0.012783986,GGA+U,C2/c,A2BC14D2E_mC80_15_f_a_7f_f_e:Ba-Cu-F-V-Zn,40.0,"Invalid WP multiplicities - A2BC14D2E_mC80_15_f_c_24f_f_e:Ba-Cu-F-V-Zn, expected Ba2V2ZnCuF48 to be Ba2V2ZnCuF14" +mp-1047908,BaVZnF7,-5.9030993885,-3.3388016493,0.0,-0.013696443,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-V-Zn,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-V-Zn, expected BaVZnF23 to be BaVZnF7" +mp-1192663,Tl2CuPb(NO2)6,-6.3355829009,-0.7939295319,0.1196961824,0.1196961824,GGA,Fm-3,AB6C12DE2_cF88_202_a_e_h_b_c:Cu-N-O-Pb-Tl,22.0,AB6C12DE2_cF88_202_a_e_h_b_c:Cu-N-O-Pb-Tl +mp-1245794,LiIrN2,-6.817294095,0.0377926292,0.3739122308,0.3739122308,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ir-Li-N,16.0,ABC2_oP16_33_a_a_2a:Ir-Li-N +mp-1247356,LiIrN2,-6.7716769109,0.0834098132,0.4195294149,0.4195294149,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ir-Li-N,64.0,ABC2_oP64_61_2c_2c_4c:Ir-Li-N +mp-1245555,LiIrN2,-6.8352679112,0.0198188129,0.3559384146,0.3559384146,GGA,I-42d,ABC2_tI16_122_a_b_d:Ir-Li-N,8.0,ABC2_tI16_122_a_b_d:Ir-Li-N +mp-1247375,Li3IrN2,-5.5690872121,-0.3627217737,0.0227271726,0.0227271726,GGA,P2_1/c,AB3C2_mP24_14_e_3e_2e:Ir-Li-N,24.0,AB3C2_mP24_14_e_3e_2e:Ir-Li-N +mp-1246754,Li3IrN2,-5.3860087556,-0.1796433173,0.2058056291,0.2058056291,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Ir-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Ir-Li-N +mp-1213008,CsLi2C,-2.169764835,1.3157135645,1.3281215725,1.3281215725,GGA,Fm-3m,ABC2_cF16_225_a_b_c:C-Cs-Li,4.0,ABC2_cF16_225_a_b_c:C-Cs-Li +mp-1247271,CsIrN2,-6.40454373,0.1971628705,0.4759136627,0.4759136627,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cs-Ir-N,64.0,ABC2_oP64_61_2c_2c_4c:Cs-Ir-N +mp-1245865,CsIrN2,-6.3934385083,0.2082680923,0.4870188844,0.4870188844,GGA,I4_1,ABC2_tI80_80_a2b_a2b_5b:Cs-Ir-N,40.0,ABC2_tI80_80_a2b_a2b_5b:Cs-Ir-N +mp-574653,Cs2LiIr(CN)6,-7.7427845287,-0.3722142603,0.0,-0.050338572,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Ir-Li-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Ir-Li-N +mp-1245732,Li2IrN2,-5.9059129133,-0.0400589607,0.3256582478,0.3256582478,GGA,C2/m,AB2C2_mC30_12_ah_ij_ij:Ir-Li-N,15.0,AB2C2_mC30_12_ah_ij_ij:Ir-Li-N +mp-1246497,Li2IrN2,-6.047861658,-0.1820077053,0.1837095032,0.1837095032,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ir-Li-N,5.0,AB2C2_hP5_164_a_d_d:Ir-Li-N +mp-1245361,Li7IrN4,-5.0083986153,-0.3794924531,0.0370757583,0.0370757583,GGA,Pa-3,AB7C4_cP96_205_c_c2d_cd:Ir-Li-N,96.0,AB7C4_cP96_205_c_c2d_cd:Ir-Li-N +mp-1245453,LiIr2N3,-7.2329293983,0.1996166019,0.4677247867,0.4677247867,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ir-Li-N,12.0,A2BC3_oC24_36_b_a_ab:Ir-Li-N +mp-1029726,Li6IrN4,-5.2817835141,-0.4056061432,0.0048221205,0.0048221205,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Ir-Li-N,22.0,AB6C4_tP22_137_a_df_g:Ir-Li-N +mp-1029771,Ca2ReN3,-7.7449295154,-0.8340608954000001,0.0901126173,0.0901126173,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-Re,24.0,A2B3C_oC48_64_2f_e2f_f:Ca-N-Re +mp-1246486,Ca7ReN6,-6.3711875161,-0.9067092379,0.0410816491,0.0410816491,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Re,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Re +mp-1205694,LiCa2ReO6,-7.454683968,-2.6502057601,0.0973327291,0.0973327291,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Li-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Li-O-Re +mp-1246058,Ca4ReN4,-6.8940344611,-0.9148226383,0.0310724872,0.0310724872,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Re,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Re +mp-989606,CaReN3,-8.6288227,-0.736900332,0.0,-0.1405353939,GGA,C2/c,AB3C_mC40_15_2e_3f_f:Ca-N-Re,20.0,"Invalid WP multiplicities - AB3C_mC40_15_4e_9f_f:Ca-N-Re, expected Ca2ReN9 to be CaReN3" +mp-1247000,Ca11(ReN5)2,-6.2511140657,-0.5852183135,0.3618307538,0.3618307538,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Re,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Re +mp-1247365,Ca5(ReN3)2,-7.4395468719,-0.9060066165,0.0378469198,0.0378469198,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Re,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Re +mp-1247428,Ca3ReN3,-7.1182809114,-0.9081649686,0.0039481882,0.0039481882,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ca-N-Re,14.0,A3B3C_hP14_176_h_h_c:Ca-N-Re +mp-1247123,Ca3Re3N5,-8.2485664673,-0.5183068473,0.2654709093,0.2654709093,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Re,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Re +mp-1245414,CaReN2,-8.3345136652,-0.5537344364,0.215394125,0.215394125,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Re,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-Re +mp-1245796,CaReN2,-8.347128285,-0.5663490562,0.2027795051,0.2027795051,GGA,R-3m,AB2C_hR12_166_a_c_b:Ca-N-Re,4.0,AB2C_hR12_166_a_c_b:Ca-N-Re +mp-1030245,Ca3ReN4,-7.477609304,-1.0016959884,0.0,-0.12634568,GGA,P31c,A3B4C_hP144_159_a2b8c_12c_3c:Ca-N-Re,144.0,A3B4C_hP144_159_a2b8c_12c_3c:Ca-N-Re +mp-1247520,Ca3(ReN2)2,-7.725193425,-0.5861007906,0.3042956436,0.3042956436,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Re,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Re +mp-1247515,Ca3(ReN2)2,-7.7794891819,-0.6403965475,0.2499998866,0.2499998866,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Re,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Re +mp-16181,Li6Ca12Re4N16O3,-7.0033065859,-1.3076278192,0.0,-0.0331120469,GGA,I-43d,A12B6C16D3E4_cI164_220_e_d_ce_a_c:Ca-Li-N-O-Re,82.0,"Invalid WP multiplicities - A12B6C16D3E4_cI164_220_e_d_c2e_a_c:Ca-Li-N-O-Re, expected Li6Ca12Re4N28O3 to be Li6Ca12Re4N16O3" +mp-555160,CsYSeCl2O3,-6.1054152037,-2.4310496516,0.0,-0.0112051512,GGA,P2_1/c,A2BC3DE_mP32_14_2e_e_3e_e_e:Cl-Cs-O-Se-Y,32.0,"Invalid WP multiplicities - A2BC3DE_mP32_14_7e_e_7e_e_e:Cl-Cs-O-Se-Y, expected CsYSe(ClO)7 to be CsYSeCl2O3" +mp-1195090,CsY(SeO3)2,-6.6056544798,-2.2022716089,0.0,-0.1301342318,GGA,Pa-3,AB6C2D_cP40_205_a_d_c_b:Cs-O-Se-Y,40.0,AB6C2D_cP40_205_a_d_c_b:Cs-O-Se-Y +mp-1521555,KEuZrGeO6,-8.220698225,-2.798872075,0.1348108077,0.1348108077,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Ge-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Ge-K-O-Zr +mp-1521702,KEu(GeO3)4,-6.6738537322,-1.717199471,0.3470498799,0.3470498799,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Ge-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Ge-K-O, expected KEu(Ge2O9)2 to be KEu(GeO3)4" +mp-16871,K2ZrGe2O7,-7.1585379996,-2.6050900652,0.0,-0.0402078049,GGA,C2/c,A2B2C7D_mC48_15_f_f_e3f_c:Ge-K-O-Zr,24.0,"Invalid WP multiplicities - A2B2C7D_mC48_15_f_f_e8f_c:Ge-K-O-Zr, expected K2ZrGe2O17 to be K2ZrGe2O7" +mp-1195516,K2SrTh2(MoO4)6,-8.3319988424,-2.5453577688,0.0296361664,0.0296361664,GGA+U,P-1,A2B6C24DE2_aP70_2_2i_6i_24i_i_2i:K-Mo-O-Sr-Th,70.0,A2B6C24DE2_aP70_2_2i_6i_24i_i_2i:K-Mo-O-Sr-Th +mp-556508,K8Th(MoO4)6,-7.4749554796,-2.3444047218,0.0094592832,0.0094592832,GGA+U,P-1,A8B6C24D_aP78_2_8i_6i_24i_i:K-Mo-O-Th,78.0,"Invalid WP multiplicities - A8B6C24D_aP78_2_14i_11i_48i_i:K-Mo-O-Th, expected K14ThMo11O48 to be K8Th(MoO4)6" +mp-556638,K2Th(MoO4)3,-8.1295952153,-2.4889357148,0.0105989227,0.0105989227,GGA+U,C2/c,A2B3C12D_mC72_15_f_ef_6f_e:K-Mo-O-Th,36.0,"Invalid WP multiplicities - A2B3C12D_mC72_15_f_ef_21f_e:K-Mo-O-Th, expected K2Th(MoO14)3 to be K2Th(MoO4)3" +mp-541256,K2Th(MoO4)3,-8.0841198317,-2.4434603312,0.0560743064,0.0560743064,GGA+U,C2/c,A2B3C12D_mC72_15_f_ef_6f_e:K-Mo-O-Th,36.0,A2B3C12D_mC72_15_f_ef_6f_e:K-Mo-O-Th +mp-555417,K4Th(MoO4)4,-7.8092967688,-2.4338938145,0.0,-0.0201142161,GGA+U,I4_1/a,A4B4C16D_tI100_88_f_f_4f_a:K-Mo-O-Th,50.0,"Invalid WP multiplicities - A4B4C16D_tI100_88_f_f_27f_a:K-Mo-O-Th, expected K4Th(MoO27)4 to be K4Th(MoO4)4" +mp-1518297,BaEuYSbO6,-8.2963665075,-3.0512083714,0.0220357661,0.0220357661,GGA,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Sb-Y,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Sb-Y, expected BaEuYSbO12 to be BaEuYSbO6" +mp-1518354,BaEuYSbO6,-8.274458459,-3.0293003229,0.0439438146,0.0439438146,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sb-Y +mp-1209550,RbLiMoHO4,-6.2455265655,-1.6312030731,0.3913680686,0.3913680686,GGA+U,Pbca,ABCD4E_oP64_61_c_c_c_4c_c:H-Li-Mo-O-Rb,64.0,ABCD4E_oP64_61_c_c_c_4c_c:H-Li-Mo-O-Rb +mp-1192821,NaSbBrOF3,-4.3923511661,-1.8658253836,0.4662881599,0.4662881599,GGA,P2_1/c,AB3CDE_mP28_14_e_3e_e_e_e:Br-F-Na-O-Sb,28.0,AB3CDE_mP28_14_e_3e_e_e_e:Br-F-Na-O-Sb +mp-572526,SbBr(OF3)2,-4.56601073,-1.8615826502,0.0,-0.0518661558,GGA,P2/c,AB6C2D_mP20_13_e_3g_g_f:Br-F-O-Sb,20.0,"Invalid WP multiplicities - AB6C2D_mP20_13_e_11g_g_f:Br-F-O-Sb, expected SbBr(OF11)2 to be SbBr(OF3)2" +mp-1210052,NaBrF4,-3.6653642275,-1.9117859786,0.0,-0.0900104817,GGA,I4/mcm,AB4C_tI24_140_d_l_a:Br-F-Na,12.0,AB4C_tI24_140_d_l_a:Br-F-Na +mp-1220957,NaSb(OF2)2,-4.9122206513,-2.038368173,0.3024735664,0.3024735664,GGA,Cc,A4BC2D_mC32_9_4a_a_2a_a:F-Na-O-Sb,16.0,"Invalid WP multiplicities - A4BC2D_mC32_9_8a_a_2a_a:F-Na-O-Sb, expected NaSb(OF4)2 to be NaSb(OF2)2" +mp-1202286,NaSb2(OF3)2,-5.1283315798,-2.3153516706,0.271151281,0.271151281,GGA,P2_1/c,A6BC2D2_mP44_14_6e_e_2e_2e:F-Na-O-Sb,44.0,A6BC2D2_mP44_14_6e_e_2e_2e:F-Na-O-Sb +mp-1193691,CoH4SeClO6,-5.2820985338,-0.9971906584,0.198646346,0.198646346,GGA+U,P-1,ABC4D6E_aP26_2_i_be_4i_6i_i:Cl-Co-H-O-Se,26.0,ABC4D6E_aP26_2_i_be_4i_6i_i:Cl-Co-H-O-Se +mp-776636,CoH5SeClO5,-5.4220703241,-1.2566980384,0.0083092268,0.0083092268,GGA+U,Pnma,ABC5D5E_oP104_62_d_ac_5d_2c4d_d:Cl-Co-H-O-Se,104.0,"Invalid WP multiplicities - ABC5D5E_oP104_62_d_2a2c_17d_6c15d_d:Cl-Co-H-O-Se, expected Co2H17SeClO18 to be CoH5SeClO5" +mp-746691,CoH8(ClO2)2,-4.8305939673000005,-0.9816636793,0.2736964323,0.2736964323,GGA+U,P2_1/c,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O,60.0,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O +mp-1182181,CoH8(ClO2)2,-5.0873197227,-1.2383894347,0.016970677,0.016970677,GGA+U,P2_1/c,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O,60.0,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O +mp-1238424,CoH8(ClO2)2,-4.8645326087,-1.0156023207,0.239757791,0.239757791,GGA+U,P2_1/c,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O,60.0,A2BC8D4_mP60_14_2e_e_8e_4e:Cl-Co-H-O +mp-23853,CoH4(ClO)2,-5.0453055856,-1.2375641725,0.0,-0.0184407787,GGA+U,C2/m,A2BC4D2_mC18_12_i_a_j_g:Cl-Co-H-O,9.0,A2BC4D2_mC18_12_i_a_j_g:Cl-Co-H-O +mp-696766,CoH12(ClO3)2,-5.1222850229,-1.2557023599,0.0072845829,0.0072845829,GGA+U,C2/m,A2BC12D6_mC42_12_i_a_2i2j_ij:Cl-Co-H-O,42.0,A2BC12D6_mC42_12_i_a_2i2j_ij:Cl-Co-H-O +mp-1181555,CoH8Se2(ClO4)2,-4.8287576852,-0.8043513938,0.4296541381,0.4296541381,GGA+U,P2_1/c,A2BC8D8E2_mP42_14_e_a_4e_4e_e:Cl-Co-H-O-Se,42.0,"Invalid WP multiplicities - A2BC8D8E2_mP42_14_e_a_11e_15e_e:Cl-Co-H-O-Se, expected CoH22Se2(ClO15)2 to be CoH8Se2(ClO4)2" +mp-1204801,CoH8Se2(ClO4)2,-5.2049705257,-1.1805642343,0.0534412976,0.0534412976,GGA+U,P2_1/c,A2BC8D8E2_mP42_14_e_a_4e_4e_e:Cl-Co-H-O-Se,42.0,A2BC8D8E2_mP42_14_e_a_4e_4e_e:Cl-Co-H-O-Se +mp-1192030,CoH2Cl2O,-4.9433721179,-1.1871167985,0.0,-0.0134943271,GGA+U,Pnma,A2BC2D_oP24_62_2c_c_2c_c:Cl-Co-H-O,24.0,A2BC2D_oP24_62_2c_c_2c_c:Cl-Co-H-O +mp-1213770,Co(H3Cl)2,-3.6546753178,-0.1922589417,0.184883885,0.184883885,GGA,C2/m,A2BC6_mC18_12_i_a_ij:Cl-Co-H,9.0,A2BC6_mC18_12_i_a_ij:Cl-Co-H +mp-1516597,BaGdInWO6,-8.841253507,-2.7027491663000003,0.0907743545,0.0907743545,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Gd-In-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Gd-In-O-W, expected BaGdIn2WO12 to be BaGdInWO6" +mp-1516504,BaGdInWO6,-8.843661226,-2.7051568853,0.0883666355,0.0883666355,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-In-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-In-O-W +mp-1190438,Eu2CoTe2(SO7)2,-7.45453947,-2.1480882856,0.0,-0.0242672751,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Eu-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Eu-O-S-Te +mp-1518490,KSrMnBiO6,-6.444295428,-1.896042519,0.148000643,0.148000643,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mn-O-Sr +mp-1023156,CaMg6W,-2.718838955,0.3518373462,0.4039622791,0.4039622791,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-W, expected CaMg12W to be CaMg6W" +mp-1023208,CaMg6W,-2.816782175,0.2538941262,0.3060190591,0.3060190591,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:Ca-Mg-W,8.0,AB6C_tP8_123_a_fk_c:Ca-Mg-W +mp-1028132,CaMg14W,-2.1645262681,0.1709519075,0.2093385211,0.2093385211,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-W, expected CaMg18W to be CaMg14W" +mp-1028111,CaMg14W,-2.1599010856,0.17557709,0.2139637036,0.2139637036,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-W, expected CaMg26W to be CaMg14W" +mp-1199883,Rb2FeCl5O,-3.8502998219,-1.1146930035,0.5416252067,0.5416252067,GGA+U,Pnma,A5BCD2_oP36_62_3cd_c_c_d:Cl-Fe-O-Rb,36.0,A5BCD2_oP36_62_3cd_c_c_d:Cl-Fe-O-Rb +mp-734319,RbFeH4Cl3O2,-4.9789942209,-1.4825899605,0.0,-0.0052732091,GGA+U,Pcca,A3BC4D2E_oP44_54_df_c_2f_f_e:Cl-Fe-H-O-Rb,44.0,A3BC4D2E_oP44_54_df_c_2f_f_e:Cl-Fe-H-O-Rb +mp-735545,Rb2FeH2Cl5O,-4.3102064386,-1.4551233972,0.2023856995,0.2023856995,GGA+U,Pnma,A5BC2DE2_oP44_62_3cd_c_d_c_d:Cl-Fe-H-O-Rb,44.0,A5BC2DE2_oP44_62_3cd_c_d_c_d:Cl-Fe-H-O-Rb +mp-1521350,KGdTi4O12,-8.7811023578,-2.8850604806,0.2120471986,0.2120471986,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Gd-K-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Gd-K-O-Ti, expected KGdTi4O18 to be KGdTi4O12" +mp-1223343,KTiNbO5,-8.5910594269,-3.1109794819,0.0011033189,0.0011033189,GGA,Pnma,ABC5D_oP32_62_c_c_5c_c:K-Nb-O-Ti,32.0,ABC5D_oP32_62_c_c_5c_c:K-Nb-O-Ti +mp-1520108,KGdNb2O6,-9.466294548,-2.9593681946,0.1296467308,0.1296467308,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Gd-K-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Gd-K-Nb-O +mp-1211763,KGdTiO4,-9.4919636175,-3.3678538963,0.0069354064,0.0069354064,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:Gd-K-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:Gd-K-O-Ti +mp-1520316,KGdNb4O12,-9.4589284,-3.072705851,0.0970030958,0.0970030958,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Gd-K-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Gd-K-Nb-O, expected KGdNb4O18 to be KGdNb4O12" +mp-1212097,K2GdNb5O15,-8.9708820746,-2.8402831179,0.2657249494,0.2657249494,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Gd-K-Nb-O,46.0,AB2C5D15_tP46_127_a_g_cj_dhi2j:Gd-K-Nb-O +mp-1223312,KTi3NbO9,-8.9458398704,-3.2730985533,0.006712808,0.006712808,GGA,Pmn2_1,ABC9D3_oP28_31_a_a_9a_3a:K-Nb-O-Ti,28.0,"Invalid WP multiplicities - ABC9D3_oP28_31_a_a_13a_4a:K-Nb-O-Ti, expected KTi4NbO13 to be KTi3NbO9" +mp-1235062,Sr2LiV2(Si2O7)2,-8.0091957135,-3.0348202356,0.0814623613,0.0814623613,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Li-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Li-O-Si-Sr-V +mp-1235092,Sr2LiV2(Si2O7)2,-7.9411788265,-2.9668033487,0.1494792483,0.1494792483,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Li-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Li-O-Si-Sr-V +mp-1235848,Sr2LiV2(Si2O7)2,-8.0023665583,-3.0279910804,0.0882915165,0.0882915165,GGA+U,C2,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Li-O-Si-Sr-V,23.0,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Li-O-Si-Sr-V +mp-1235393,Sr2LiV2(Si2O7)2,-7.9595121478,-2.98513667,0.131145927,0.131145927,GGA+U,Pm,AB14C4D2E2_mP23_6_a_2a2b5c_2c_ab_ab:Li-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_mP23_6_a_2a2b9c_3c_ab_ab:Li-O-Si-Sr-V, expected Sr2LiV2(Si3O11)2 to be Sr2LiV2(Si2O7)2" +mp-1235467,Sr2LiV2(Si2O7)2,-7.9199100174,-2.9455345395,0.1707480574,0.1707480574,GGA+U,Pm,AB14C4D2E2_mP23_6_a_2a2b5c_2c_ab_ab:Li-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_mP23_6_a_2a2b9c_3c_ab_ab:Li-O-Si-Sr-V, expected Sr2LiV2(Si3O11)2 to be Sr2LiV2(Si2O7)2" +mp-1235454,Sr2LiV2(Si2O7)2,-7.9404500487,-2.9660745708,0.1502080261,0.1502080261,GGA+U,Amm2,AB14C4D2E2_oC46_38_a_2a2bc2f_2c_ab_ab:Li-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_oC46_38_a_2a2bc6f_3c_ab_ab:Li-O-Si-Sr-V, expected Sr2LiV2(SiO5)6 to be Sr2LiV2(Si2O7)2" +mp-1179076,SrVSi2O7,-8.2477955582,-3.1340813253,0.0029384527,0.0029384527,GGA+U,Ama2,A7B2CD_oC44_40_a2b2c_c_b_b:O-Si-Sr-V,22.0,"Invalid WP multiplicities - A7B2CD_oC44_63_2a4c3h_f_c_c:O-Si-Sr-V, expected SrV(SiO9)2 to be SrVSi2O7" +mp-19296,SrVSi2O7,-8.2482657509,-3.134551518,0.00246826,0.00246826,GGA+U,Cmcm,A7B2CD_oC44_63_a2ch_f_c_c:O-Si-Sr-V,22.0,"Invalid WP multiplicities - A7B2CD_oC44_63_a2c2h_f_c_c:O-Si-Sr-V, expected SrVSi2O11 to be SrVSi2O7" +mp-1105305,NdMn3V4O12,-8.8992359165,-2.5017318103,0.0677943848,0.0677943848,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Mn-Nd-O-V,20.0,A3BC12D4_cI40_204_b_a_g_c:Mn-Nd-O-V +mp-720104,Na4Al3Ge3NO14,-6.7481525358,-2.4287105713,0.0044574299,0.0044574299,GGA,Cc,A3B3CD4E14_mC100_9_3a_3a_a_4a_14a:Al-Ge-N-Na-O,50.0,"Invalid WP multiplicities - A3B3CD4E14_mC100_9_6a_3a_a_8a_28a:Al-Ge-N-Na-O, expected Na8Al6Ge3NO28 to be Na4Al3Ge3NO14" +mp-1029851,Na2GeN2,-5.0876777163,-0.2994640579,0.0,-0.0174641721,GGA,Pbca,AB2C2_oP160_61_4c_8c_8c:Ge-N-Na,160.0,AB2C2_oP160_61_4c_8c_8c:Ge-N-Na +mp-677474,Na4Al3Ge3NO15,-6.5695339744,-2.2259671351,0.1721271751,0.1721271751,GGA,P2,A3B3CD4E15_mP52_3_2a2e_2d2e_bc_4e_15e:Al-Ge-N-Na-O,52.0,A3B3CD4E15_mP52_3_2a2e_2c2e_bd_4e_15e:Al-Ge-N-Na-O +mp-1265310,Na4Al3Ge3NO15,-6.6662761342,-2.3227092949,0.0753850153,0.0753850153,GGA,P2,A3B3CD4E15_mP52_3_2a2e_2d2e_bc_4e_15e:Al-Ge-N-Na-O,52.0,A3B3CD4E15_mP52_3_2a2e_2c2e_bd_4e_15e:Al-Ge-N-Na-O +mp-1247480,Na3AlN2,-4.2601074908,-0.1957505641,0.4149552604,0.4149552604,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Al-N-Na,24.0,AB2C3_mP24_14_e_2e_3e:Al-N-Na +mp-1246847,Na3AlN2,-4.3820527212,-0.3176957945,0.29301003,0.29301003,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Al-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Al-N-Na +mp-14433,NaGe2N3,-6.31710395,-0.3874263203,0.0,-0.118110669,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Ge-N-Na,12.0,A2B3C_oC24_36_b_ab_a:Ge-N-Na +mp-1246750,NaGeN,-5.0168952567,-0.2562125655,0.039827641,0.039827641,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ge-N-Na,6.0,ABC_hP6_186_a_b_b:Ge-N-Na +mp-19123,Rb2LiVO4,-6.4606569419,-2.368075451,0.0,-0.1191490759,GGA+U,Cmc2_1,AB4C2D_oC32_36_a_2ab_2a_a:Li-O-Rb-V,16.0,"Invalid WP multiplicities - AB4C2D_oC32_36_a_2a2b_2a_a:Li-O-Rb-V, expected Rb2LiVO6 to be Rb2LiVO4" +mp-1235632,Rb3LiErV2O8,-7.0572585373,-2.5799541557,0.0771001576,0.0771001576,GGA+U,P1,ABC8D3E2_aP15_1_a_a_8a_3a_2a:Er-Li-O-Rb-V,15.0,ABC8D3E2_aP15_1_a_a_8a_3a_2a:Er-Li-O-Rb-V +mp-1236241,Rb3LiErV2O8,-7.031743542,-2.5544391604000003,0.1026151529,0.1026151529,GGA+U,C2/m,ABC8D3E2_mC30_12_a_b_2ij_ci_i:Er-Li-O-Rb-V,15.0,ABC8D3E2_mC30_12_b_a_2ij_ci_i:Er-Li-O-Rb-V +mp-1236371,Rb3LiErV2O8,-6.9904194813,-2.5131150997,0.1439392136,0.1439392136,GGA+U,P3m1,ABC8D3E2_hP15_156_a_a_bc2d_abc_bc:Er-Li-O-Rb-V,15.0,"Invalid WP multiplicities - ABC8D3E2_hP15_156_a_a_bc6d_abc_bc:Er-Li-O-Rb-V, expected Rb3LiErV2O20 to be Rb3LiErV2O8" +mp-1209331,Rb3ErV2O8,-7.3871776457,-2.7264174416,0.0,-0.0286479546,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Er-O-Rb-V,14.0,AB8C3D2_hP14_164_a_di_bd_d:Er-O-Rb-V +mp-1209409,RbNaTi2(PO5)2,-7.9202856234,-3.0210646531,0.0,-0.0003956631,GGA,Pna2_1,AB10C2DE2_oP64_33_a_10a_2a_a_2a:Na-O-P-Rb-Ti,64.0,AB10C2DE2_oP64_33_a_10a_2a_a_2a:Na-O-P-Rb-Ti +mp-680756,Na4TiP2O9,-7.0725956686,-2.7893208808,0.0,-0.0116774999999999,GGA,P2/c,A4B9C2D_mP160_13_ae9g_f22g_5g_c2g:Na-O-P-Ti,160.0,"Invalid WP multiplicities - A4B9C2D_mP160_13_2a2e32g_2f88g_18g_2c5g:Na-O-P-Ti, expected Na34Ti6P18O89 to be Na4TiP2O9" +mp-1221152,Na4TiP2O9,-7.0704845584000005,-2.7872097706,0.0021111102,-0.0095663898,GGA,Cmme,A4B9C2D_oC64_67_adn_g2no_n_c:Na-O-P-Ti,32.0,A4B9C2D_oC64_67_adn_g2no_n_c:Na-O-P-Ti +mp-6390,Rb3Ti3(PO4)5,-7.9060470834,-2.9825514374,0.0,-0.0086631283,GGA,Pca2_1,A20B5C3D3_oP124_29_20a_5a_3a_3a:O-P-Rb-Ti,124.0,"Invalid WP multiplicities - A20B5C3D3_oP124_29_23a_5a_3a_3a:O-P-Rb-Ti, expected Rb3Ti3P5O23 to be Rb3Ti3(PO4)5" +mp-555319,Rb3Ti3(PO4)5,-7.9056276813,-2.9821320353000003,0.0004194021,-0.0082437262,GGA,Pbcm,A20B5C3D3_oP124_57_c3d8e_d2e_de_de:O-P-Rb-Ti,124.0,"Invalid WP multiplicities - A20B5C3D3_oP124_57_4c11d57e_4d11e_2d3e_3d3e:O-P-Rb-Ti, expected Rb8Ti9P26O129 to be Rb3Ti3(PO4)5" +mp-1209633,Rb2Ti2(PO4)3,-7.8756429378,-2.9623679781,0.0080066127,0.0080066127,GGA,P2_13,A12B3C2D2_cP76_198_4b_b_2a_2a:O-P-Rb-Ti,76.0,A12B3C2D2_cP76_198_4b_b_2a_2a:O-P-Rb-Ti +mp-761046,Na3Ti2(PO4)3,-7.5882336193,-2.8202970208,0.0571484163,0.0571484163,GGA,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Na-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_19f_f_3c:Na-O-P-Ti, expected NaTiPO19 to be Na3Ti2(PO4)3" +mp-1013874,NaTi3P3O13,-8.2689756935,-2.991182588,0.055529403,0.055529403,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Na-O-P-Ti,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Na-O-P-Ti, expected NaTi5P3O34 to be NaTi3P3O13" +mp-1220951,NaTiPO5,-7.922327245,-3.0017318234,0.0,-0.0005518334,GGA,P2_1,AB5CD_mP64_4_4a_20a_4a_4a:Na-O-P-Ti,64.0,"Invalid WP multiplicities - AB5CD_mP64_4_5a_29a_6a_6a:Na-O-P-Ti, expected Na5Ti6P6O29 to be NaTiPO5" +mp-6358,NaTiPO5,-7.9215315062,-3.0009360846,0.0007957387,0.0002439053,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Na-O-P-Ti,32.0,AB5CD_mP32_14_e_5e_e_e:Na-O-P-Ti +mp-1173581,NaTiPO5,-7.9174416311,-2.9968462095,0.0048856139,0.0043337805,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Na-O-P-Ti,64.0,AB5CD_oP64_33_2a_10a_2a_2a:Na-O-P-Ti +mp-760927,NaTiPO5,-7.9050768809,-2.9844814593,0.0172503641,0.0166985306,GGA,Pnma,AB5CD_oP32_62_a_3cd_c_c:Na-O-P-Ti,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_a_9c4d_c_c:Na-O-P-Ti, expected NaTiPO17 to be NaTiPO5" +mp-776567,NaTi2(PO4)3,-8.1348889837,-2.984128907,0.0382682043,-0.0042168556,GGA,P1,AB12C3D2_aP72_1_4a_48a_12a_8a:Na-O-P-Ti,72.0,AB12C3D2_aP72_1_4a_48a_12a_8a:Na-O-P-Ti +mp-776599,NaTi2(PO4)3,-8.1424121903,-2.9916521135,0.0307449978,-0.0117400621,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Na-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Na-O-P-Ti, expected NaTi3P5O23 to be NaTi2(PO4)3" +mp-6761,NaTi2(PO4)3,-8.1731571881,-3.0223971113,0.0,-0.0424850599,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Ti,36.0,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Ti +mp-761068,Na11Ti8(PO4)12,-7.6408310297,-2.82928163,0.064677289,0.064677289,GGA,P1,A11B48C12D8_aP79_1_11a_48a_12a_8a:Na-O-P-Ti,79.0,A11B48C12D8_aP79_1_11a_48a_12a_8a:Na-O-P-Ti +mp-6539,RbTiPO5,-7.9174526756,-3.0396061566,0.0,-0.0360789473,GGA,Pna2_1,A5BCD_oP64_33_10a_2a_2a_2a:O-P-Rb-Ti,64.0,"Invalid WP multiplicities - A5BCD_oP64_33_13a_2a_2a_2a:O-P-Rb-Ti, expected Rb2Ti2P2O13 to be RbTiPO5" +mp-695439,RbTiPO5,-7.0761957531,-2.1983492341,0.8412569225000001,0.8051779752,GGA,Pna2_1,A5BCD_oP64_33_10a_2a_2a_2a:O-P-Rb-Ti,64.0,"Invalid WP multiplicities - A5BCD_oP64_33_39a_7a_5a_6a:O-P-Rb-Ti, expected Rb5Ti6P7O39 to be RbTiPO5" +mp-17461,NaTiP2O7,-7.8131360766,-2.8430048673,0.0588431788,0.0588431788,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Ti,44.0,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Ti +mp-560506,NaTiP2O7,-7.8105507564,-2.8404195471,0.061428499,0.061428499,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_3e_e:Na-O-P-Ti, expected NaTi(PO8)3 to be NaTiP2O7" +mp-1220935,NaTi2(P2O7)2,-8.0542654548,-2.9104387257,0.0240865327,0.0240865327,GGA,P1,AB14C4D2_aP21_1_a_14a_4a_2a:Na-O-P-Ti,21.0,AB14C4D2_aP21_1_a_14a_4a_2a:Na-O-P-Ti +mp-1199924,Rb2Ti3(P2O9)2,-7.9114238389,-2.8617515787,0.0564558795,0.0564558795,GGA,P2_1/c,A18B4C2D3_mP54_14_9e_2e_e_ae:O-P-Rb-Ti,54.0,"Invalid WP multiplicities - A18B4C2D3_mP54_14_17e_2e_e_a2e:O-P-Rb-Ti, expected Rb2Ti5(P2O17)2 to be Rb2Ti3(P2O9)2" +mp-560586,RbTi2(PO4)3,-8.1572154031,-3.0254548386,0.0009202792,-0.0207828285,GGA,R-3,A12B3CD2_hR108_148_4f_f_ab_2c:O-P-Rb-Ti,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_148_20f_f_ab_4c:O-P-Rb-Ti, expected RbTi4(PO20)3 to be RbTi2(PO4)3" +mp-6125,RbTi2(PO4)3,-8.1581356822,-3.0263751177,0.0,-0.0217031076,GGA,R-3c,A12B3CD2_hR108_167_2f_e_b_c:O-P-Rb-Ti,36.0,A12B3CD2_hR108_167_2f_e_b_c:O-P-Rb-Ti +mp-17495,RbTiP2O7,-7.8183363639,-2.8792952656,0.0358462415,0.0358462415,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Ti,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Ti +mp-16140,Na3TiP8O23,-7.488770152,-2.6618179146000003,0.0,-8.98008e-05,GGA,P4_132,A3B23C8D_cP140_213_d_cd3e_ce_a:Na-O-P-Ti,140.0,"Invalid WP multiplicities - A3B23C8D_cP140_213_d_c3d5e_c2e_a:Na-O-P-Ti, expected Na3TiP14O41 to be Na3TiP8O23" +mp-755563,TiNi(PO4)2,-8.0171255267,-2.6774802433,0.0300966733,0.0300966733,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Ti,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Ti +mp-752647,TiNi(PO4)2,-8.0291673872,-2.6895221039,0.0180548128,0.0180548128,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Ni-O-P-Ti, expected TiNi(PO10)2 to be TiNi(PO4)2" +mp-1043495,TiNiP2O9,-7.679940485,-2.3705226303,0.1287791389,0.1287791389,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Ti,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Ti +mp-20948,NbNiP2,-7.407428705,-0.7304170217,0.0,-0.0101208286,GGA,Pnma,ABC2_oP16_62_c_c_2c:Nb-Ni-P,16.0,ABC2_oP16_62_c_c_2c:Nb-Ni-P +mp-505081,Ti2NiP5,-6.8311387634,-0.7514346076,0.0,-0.0091555137,GGA,Pnma,AB5C2_oP32_62_c_5c_2c:Ni-P-Ti,32.0,AB5C2_oP32_62_c_5c_2c:Ni-P-Ti +mp-766392,Ti4Ni(PO5)4,-8.2594846398,-2.8129643295,0.0636498885,0.0636498885,GGA+U,P2_1/c,AB20C4D4_mP58_14_a_10e_2e_2e:Ni-O-P-Ti,58.0,"Invalid WP multiplicities - AB20C4D4_mP58_14_a_38e_6e_6e:Ni-O-P-Ti, expected Ti12Ni(P3O19)4 to be Ti4Ni(PO5)4" +mp-775713,NbNi3(PO4)4,-7.6444029283,-2.3009885747,0.0851741073,0.0851741073,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Nb-Ni-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Nb-Ni-O-P +mp-774679,TiNi3(PO4)4,-7.5470130467,-2.295507569,0.0830736387,0.0830736387,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Ti,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Ti +mp-1220579,NbNi3P2,-7.0229021183,-0.6448487694,0.0135080747,0.0135080747,GGA,Pm,AB3C2_mP18_6_3a_3a6b_2a4b:Nb-Ni-P,18.0,AB3C2_mP18_6_3a_3a6b_2a4b:Nb-Ni-P +mp-20932,NbNiP,-7.9376209317,-0.8393728561,0.0,-0.035331589,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-Ni-P,12.0,ABC_oP12_62_c_c_c:Nb-Ni-P +mp-1102188,TiNiP,-7.4295713225,-1.0665942547,0.0,-0.2047746792,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-P-Ti,12.0,ABC_oP12_62_c_c_c:Ni-P-Ti +mp-1103609,Nb4NiP,-9.0391814467,-0.4394048889,0.0578985212,0.0578985212,GGA,P4/mcc,A4BC_tP12_124_m_a_c:Nb-Ni-P,12.0,A4BC_tP12_124_m_a_c:Nb-Ni-P +mp-1101686,Ti3NbNi2(PO4)6,-8.1769033186,-2.7172255808,0.1069098756,0.1069098756,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Nb-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_3b_3a:Nb-Ni-O-P-Ti, expected Ti3NbNi2(P3O22)3 to be Ti3NbNi2(PO4)6" +mp-771595,Ti2Ni(PO5)2,-8.336528422,-2.8788875661,0.0046578123,-0.0155502771,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-Ti,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_13e_e_e:Ni-O-P-Ti, expected Ti2Ni(PO13)2 to be Ti2Ni(PO5)2" +mp-18281,Ti2Ni(PO5)2,-8.3411862343,-2.8835453784,0.0,-0.0202080894,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-Ti,30.0,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-Ti +mp-772023,NbNi5(PO4)6,-7.4671013858,-2.1837032594,0.0876727551,0.0876727551,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Nb-Ni-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Nb-Ni-O-P, expected NbNi5(PO10)6 to be NbNi5(PO4)6" +mp-778504,Ti5Ni(PO4)6,-8.3130156506,-2.8558506263,0.1108980684,0.1108980684,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_22b_3b_5a:Ni-O-P-Ti, expected Ti5Ni(P3O22)3 to be Ti5Ni(PO4)6" +mp-10430,Nb5(NiP)4,-8.1781967985,-0.848944341,0.0,-0.0550104252,GGA,I4/m,A5B4C4_tI26_87_ah_h_h:Nb-Ni-P,13.0,A5B4C4_tI26_87_ah_h_h:Nb-Ni-P +mp-775225,Nb3Ni(PO4)6,-8.202320305,-2.6939557194,0.005526786,0.005526786,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Nb-Ni-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Nb-Ni-O-P, expected Nb3Ni(PO10)6 to be Nb3Ni(PO4)6" +mp-771314,Ti2Ni(PO4)3,-8.198714605,-2.8003094512,0.0469768086,0.0469768086,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Ni-O-P-Ti, expected Ti2Ni(PO26)3 to be Ti2Ni(PO4)3" +mp-772277,TiNi5(PO4)6,-7.4036935008,-2.1815679584,0.0847537399,0.0847537399,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Ni-O-P-Ti, expected TiNi5(PO10)6 to be TiNi5(PO4)6" +mp-30541,Nb(NiP4)4,-6.0220503207,-0.3156364223,0.0115306587,0.0115306587,GGA,C2/c,AB4C16_mC84_15_e_2f_8f:Nb-Ni-P,42.0,"Invalid WP multiplicities - AB4C16_mC84_15_e_2f_9f:Nb-Ni-P, expected Nb(Ni2P9)2 to be Nb(NiP4)4" +mp-2227582,Tb2MgTi2S2O5,-7.9749009408,-3.0027059764,0.1787533388,0.1787533388,GGA,Cm,AB5C2D2E2_mC24_8_a_a2b_2a_2a_2a:Mg-O-S-Tb-Ti,12.0,AB5C2D2E2_tP12_99_b_a2c_ab_ab_2a:Mg-O-S-Tb-Ti +mp-2218189,Tb2MgTi2S2O5,-7.9837507617,-3.0115557972,0.1699035179,0.1699035179,GGA,I-4m2,AB5C2D2E2_tI24_119_c_a2f_e_e_e:Mg-O-S-Tb-Ti,12.0,"Invalid WP multiplicities - AB5C2D2E2_tI24_119_c_a3f_e_e_e:Mg-O-S-Tb-Ti, expected Tb2MgTi2S2O7 to be Tb2MgTi2S2O5" +mp-2218269,Tb2MgTi2S2O5,-7.8767406217,-2.9045456572,0.2769136579,0.2769136579,GGA,I4/mmm,AB5C2D2E2_tI24_139_a_bg_e_e_e:Mg-O-S-Tb-Ti,12.0,AB5C2D2E2_tI24_139_a_bg_e_e_e:Mg-O-S-Tb-Ti +mp-2713802,MgTi(SO4)3,-7.1072679422,-2.3269511067,0.0,-0.0156180334,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Mg-O-S-Ti,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Mg-O-S-Ti, expected MgTi(SO12)3 to be MgTi(SO4)3" +mp-1208534,Tb2MgTiO6,-8.5434720895,-3.6990084361,0.015622493,0.015622493,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mg-O-Tb-Ti,20.0,AB6C2D_mP20_14_a_3e_e_b:Mg-O-Tb-Ti +mp-10960,Tb2Ti2S2O5,-8.5907548955,-3.3120222115,0.0,-0.0336081414,GGA,I4/mmm,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Tb-Ti,11.0,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Tb-Ti +mp-770709,RbLi2Fe2(BO3)3,-7.4684599112,-2.3921777971,0.0195661732,0.0195661732,GGA+U,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Fe-Li-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_e2g_g_g_e8g_f:B-Fe-Li-O-Rb, expected RbLi2Fe2B5O17 to be RbLi2Fe2(BO3)3" +mp-1233090,CaMn4(AgO4)4,-6.277931864,-1.1126956863,0.2097301761,0.2097301761,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Ca-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Ca-Mn-O +mp-1233177,CaMn4(AgO4)4,-6.2552958684,-1.0900596907,0.2323661717,0.2323661717,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Ca-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Ca-Mn-O +mp-542979,MnVAgO4,-7.7243991986,-1.8865088828,0.0241093713,0.0241093713,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ag-Mn-O-V,28.0,ABC4D_oP28_62_c_a_2cd_c:Ag-Mn-O-V +mp-1210930,Mn2V3(AgO4)3,-7.4328363629,-1.7611522959,0.0595803276,0.0595803276,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ag-Mn-O-V,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ag-Mn-O-V +mp-532537,Ca2Mn2V3AgO12,-8.0692416057,-2.4802531511,0.0097156408,0.0097156408,GGA+U,I4_1/acd,AB2C2D12E3_tI160_142_b_e_c_3g_ae:Ag-Ca-Mn-O-V,80.0,"Invalid WP multiplicities - AB2C2D12E3_tI160_142_b_e_c_40g_2a3e:Ag-Ca-Mn-O-V, expected Ca2Mn2V8AgO160 to be Ca2Mn2V3AgO12" +mp-1194640,Mn3V3(AgO6)2,-7.9728021423,-1.9846451109,0.021504056,0.021504056,GGA+U,C2/c,A2B3C12D3_mC80_15_ae_ef_6f_ef:Ag-Mn-O-V,40.0,A2B3C12D3_mC80_15_ae_ef_6f_ef:Ag-Mn-O-V +mp-686674,Ba2La3Si3O12F,-8.2564976042,-3.6758467095,0.0,-0.0028439874,GGA,P1,A2BC3D12E3_aP84_1_8a_4a_12a_48a_12a:Ba-F-La-O-Si,84.0,A2BC3D12E3_aP84_1_8a_4a_12a_48a_12a:Ba-F-La-O-Si +mp-541995,LaSiO3F,-8.3003506322,-3.7815389262,0.0070857638,0.0070857638,GGA,P-62c,ABC3D_hP36_190_af_g_hi_h:F-La-O-Si,36.0,ABC3D_hP36_190_af_g_hi_h:F-La-O-Si +mp-1214886,Ba3SiF12,-5.2393129256,-3.1068135219,0.3805783719,0.3805783719,GGA,C2/m,A3B12C_mC32_12_ce_3j_b:Ba-F-Si,16.0,"Invalid WP multiplicities - A3B12C_mC32_12_ae_10j_c:Ba-F-Si, expected Ba3SiF40 to be Ba3SiF12" +mp-5588,BaSiF6,-6.1926709525,-3.8410251056,0.0,-0.1079840375,GGA,R-3m,AB6C_hR24_166_a_h_b:Ba-F-Si,8.0,AB6C_hR24_166_a_h_b:Ba-F-Si +mp-1227822,BaSi2(NO)2,-7.9609719343,-2.3415464668,0.0004821986,-0.0014671266,GGA,Cmc2_1,AB2C2D2_oC28_36_a_b_b_b:Ba-N-O-Si,,AB2C2D2_oC28_36_a_b_b_b:Ba-N-O-Si +mp-6764,BaSi2(NO)2,-7.9614541329,-2.3420286654,0.0,-0.0019493252,GGA,Pbcn,AB2C2D2_oP28_60_c_d_d_d:Ba-N-O-Si,28.0,AB2C2D2_oP28_60_c_d_d_d:Ba-N-O-Si +mp-554885,Ba3Si6N4O9,-8.02736158,-2.7466792572000003,0.0,-0.011733875,GGA,P3,A3B4C9D6_hP22_143_abc_ad_3d_2d:Ba-N-O-Si,22.0,"Invalid WP multiplicities - A3B4C9D6_hP22_143_abc_ad_6d_3d:Ba-N-O-Si, expected Ba3Si9(N2O9)2 to be Ba3Si6N4O9" +mp-1228191,Ba3SrSi8(NO)8,-7.9641065561,-2.352876856,0.0,-0.0040902288,GGA,P1,A3B8C8D8E_aP28_1_3a_8a_8a_8a_a:Ba-N-O-Si-Sr,28.0,A3B8C8D8E_aP28_1_3a_8a_8a_8a_a:Ba-N-O-Si-Sr +mp-557414,BaSi6N8O,-8.1890357662,-1.5571900643,0.0,-0.0039321928,GGA,Imm2,AB8CD6_oI32_44_a_cde_b_ce:Ba-N-O-Si,16.0,"Invalid WP multiplicities - AB8CD6_oI32_44_a_2c2d3e_b_2c3e:Ba-N-O-Si, expected BaSi16N20O to be BaSi6N8O" +mp-1227610,BaSrSi4(NO)4,-7.9432918468,-2.340257914,0.0164136637,0.0164136637,GGA,P1,AB4C4D4E_aP28_1_2a_8a_8a_8a_2a:Ba-N-O-Si-Sr,28.0,AB4C4D4E_aP28_1_2a_8a_8a_8a_2a:Ba-N-O-Si-Sr +mp-985697,Ba3Si6(NO6)2,-8.044513853,-3.0731187493,0.0,-0.0056310713,GGA,P-3,A3B2C12D6_hP23_147_ad_d_2g_g:Ba-N-O-Si,23.0,A3B2C12D6_hP23_147_ad_d_2g_g:Ba-N-O-Si +mp-762034,Li2Co2P2O9,-7.054090542,-2.1620048928,0.0861269414,0.0861269414,GGA+U,P-1,A2B2C9D2_aP15_2_i_i_a4i_i:Co-Li-O-P,15.0,"Invalid WP multiplicities - A2B2C9D2_aP15_2_i_i_a7i_i:Co-Li-O-P, expected Li2Co2P2O15 to be Li2Co2P2O9" +mp-758067,Li2Co2P2O9,-7.0588844017,-2.1667987525,0.0813330817,0.0813330817,GGA+U,Pnma,A2B2C9D2_oP60_62_ac_2c_5c2d_2c:Co-Li-O-P,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_2a2c_5c_19c6d_5c:Co-Li-O-P, expected Li5Co4P5O31 to be Li2Co2P2O9" +mp-863382,Li4Nb(P2O7)2,-7.40437116,-2.6807255734,0.0836124581,0.0836124581,GGA,P4/ncc,A4BC14D4_tP92_130_g_c_f3g_g:Li-Nb-O-P,92.0,"Invalid WP multiplicities - A4BC14D4_tP92_130_g_c_3f18g_g:Li-Nb-O-P, expected Li4Nb(P2O39)2 to be Li4Nb(P2O7)2" +mp-780435,Li5Co2(PO4)3,-6.7476524569,-2.2312241852,0.3030961406,0.3030961406,GGA+U,P2_1,A2B5C12D3_mP88_4_4a_10a_24a_6a:Co-Li-O-P,88.0,"Invalid WP multiplicities - A2B5C12D3_mP88_4_4a_18a_46a_12a:Co-Li-O-P, expected Li9Co2P6O23 to be Li5Co2(PO4)3" +mp-583967,Li2Co(PO4)2,-6.9896375408,-2.2722315229,0.0673637987,0.0673637987,GGA+U,P1,AB2C8D2_aP52_1_4a_8a_32a_8a:Co-Li-O-P,52.0,AB2C8D2_aP52_1_4a_8a_32a_8a:Co-Li-O-P +mp-766880,LiCo2(PO4)2,-7.3462279696,-2.2288684958,0.0354551173,0.0354551173,GGA+U,P1,A2BC8D2_aP78_1_12a_6a_48a_12a:Co-Li-O-P,78.0,A2BC8D2_aP78_1_12a_6a_48a_12a:Co-Li-O-P +mp-754127,LiCo2(PO4)2,-7.3304703092,-2.2131108354,0.0512127777,0.0512127777,GGA+U,P1,A2BC8D2_aP26_1_4a_2a_16a_4a:Co-Li-O-P,26.0,A2BC8D2_aP26_1_4a_2a_16a_4a:Co-Li-O-P +mp-753804,LiCo2(PO4)2,-7.3566840485,-2.2393245746,0.0249990385,0.0249990385,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_c:Co-Li-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_c:Co-Li-O-P, expected LiCo2(PO8)2 to be LiCo2(PO4)2" +mp-766523,LiCo2(PO4)2,-7.3676464652,-2.2502869913,0.0140366217,0.0140366217,GGA+U,Pc,A2BC8D2_mP52_7_4a_2a_16a_4a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_7_4a_2a_32a_4a:Co-Li-O-P, expected LiCo2(PO8)2 to be LiCo2(PO4)2" +mp-753924,LiCo2(PO4)2,-7.3524498938,-2.23509042,0.0292331931,0.0292331931,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Co-Li-O-P, expected LiCo4(PO4)4 to be LiCo2(PO4)2" +mp-753577,LiCo2(PO4)2,-7.3299119638,-2.21255249,0.0517711231,0.0517711231,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P,26.0,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P +mp-753562,LiCo2(PO4)2,-7.3479834392,-2.2306239654,0.0336996477,0.0336996477,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Co-Li-O-P, expected LiCo4(PO4)4 to be LiCo2(PO4)2" +mp-766451,LiCo2(PO4)2,-7.3533429594,-2.2359834856,0.0283401275,0.0283401275,GGA+U,Pc,A2BC8D2_mP52_7_4a_2a_16a_4a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_7_8a_2a_32a_8a:Co-Li-O-P, expected LiCo4(PO4)4 to be LiCo2(PO4)2" +mp-1176782,LiCo2(PO4)2,-7.3519864819,-2.2346270081,0.029696605,0.029696605,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_3a_a_16a_3a:Co-Li-O-P, expected LiCo3P3O16 to be LiCo2(PO4)2" +mp-753786,LiCo2(PO4)2,-7.3335276046,-2.2161681308,0.0481554823,0.0481554823,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Co-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Co-Li-O-P, expected LiCo4(PO4)4 to be LiCo2(PO4)2" +mp-766459,LiCo2(PO4)2,-7.3589810825,-2.2416216087,0.0227020044,0.0227020044,GGA+U,Pca2_1,A2BC8D2_oP52_29_2a_a_8a_2a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_29_5a_a_29a_5a:Co-Li-O-P, expected LiCo5P5O29 to be LiCo2(PO4)2" +mp-1176783,LiCo2(PO4)2,-7.2931890369,-2.1758295631,0.08849405,0.08849405,GGA+U,Pca2_1,A2BC8D2_oP52_29_2a_a_8a_2a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_29_5a_a_29a_5a:Co-Li-O-P, expected LiCo5P5O29 to be LiCo2(PO4)2" +mp-863410,Li2Nb(PO3)5,-7.6035025743,-2.5954158798,0.0788066879,0.0788066879,GGA,P2_1/m,A2BC15D5_mP46_11_f_a_3e6f_e2f:Li-Nb-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_11_f_a_5e12f_e4f:Li-Nb-O-P, expected Li2NbP9O29 to be Li2Nb(PO3)5" +mp-1176608,LiNbCo3(PO4)6,-7.4791897231,-2.2067461402,0.1010968184,0.1010968184,GGA+U,R3,A3BCD24E6_hR105_146_3a_a_a_8b_2b:Co-Li-Nb-O-P,35.0,"Invalid WP multiplicities - A3BCD24E6_hR105_146_3a_a_a_20b_2b:Co-Li-Nb-O-P, expected LiNbCo3(PO10)6 to be LiNbCo3(PO4)6" +mp-690004,LiCo(PO3)4,-7.3573157211,-2.3556093198,0.0758193185,0.0751065929,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Co-Li-O-P,18.0,ABC12D4_aP18_1_a_a_12a_4a:Co-Li-O-P +mp-540064,LiCo(PO3)4,-7.3639556267,-2.3622492254,0.0691794129,0.0684666873,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_8a:Co-Li-O-P, expected LiCoP8O23 to be LiCo(PO3)4" +mp-26861,LiCo(PO3)4,-7.3880811986,-2.3863747973,0.045053841,0.0443411154,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_22a_7a:Co-Li-O-P, expected LiCoP7O22 to be LiCo(PO3)4" +mp-729135,LiCo(PO3)4,-7.3980815838,-2.3963751825,0.0350534558,0.0343407302,GGA+U,P2_1,ABC12D4_mP72_4_2a_2a_24a_8a:Co-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_4_2a_3a_47a_16a:Co-Li-O-P, expected Li3Co2P16O47 to be LiCo(PO3)4" +mp-31603,LiCo(PO3)4,-7.4003800697,-2.3986736684,0.0327549699,0.0320422442,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_21a_6a:Co-Li-O-P, expected LiCo(P2O7)3 to be LiCo(PO3)4" +mp-31600,LiCo(PO3)4,-7.3928603961,-2.3911539948,0.0402746435,0.0395619179,GGA+U,C2/m,ABC12D4_mC72_12_e_i_gi5j_2j:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_e_i_2h2i17j_7j:Co-Li-O-P, expected LiCo(P7O19)2 to be LiCo(PO3)4" +mp-26361,LiCo(PO3)4,-7.4021471633,-2.400440762,0.0309878763,0.0302751506,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_21f_6f:Co-Li-O-P, expected LiCo(P2O7)6 to be LiCo(PO3)4" +mp-26925,LiCo(PO3)4,-7.3657540203,-2.364047619,0.0673810193,0.0666682937,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Co-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_23f_4f:Co-Li-O-P, expected LiCo(P4O23)2 to be LiCo(PO3)4" +mp-26997,LiCo(PO3)4,-7.4331350396,-2.4314286383,0.0,-0.0007127256,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Co-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_40d_8d:Co-Li-O-P, expected LiCo(PO5)16 to be LiCo(PO3)4" +mp-863403,LiNbP2O7,-7.8504497605,-2.6264812242,0.1340444291,0.1340444291,GGA,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Li-Nb-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_13a_3a:Li-Nb-O-P, expected LiNbP3O13 to be LiNbP2O7" +mp-757464,LiNb(PO3)4,-7.7617668861,-2.5937834156,0.0721885115,0.0721885115,GGA,P-1,ABC12D4_aP36_2_i_bc_12i_4i:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Li-Nb-O-P, expected LiNb(P5O23)2 to be LiNb(PO3)4" +mp-757788,LiNb(PO3)4,-7.7200702556,-2.5520867851,0.1138851421,0.1138851421,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Nb-O-P, expected LiNbP7O23 to be LiNb(PO3)4" +mp-757816,LiNb(PO3)4,-7.7345089128,-2.5665254423,0.0994464848,0.0994464848,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Nb-O-P, expected LiNbP7O23 to be LiNb(PO3)4" +mp-757690,LiNb(PO3)4,-7.7374338358,-2.5694503654,0.0965215618,0.0965215618,GGA,C2/m,ABC12D4_mC72_12_i_e_gi5j_2j:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_i_e_h2i9j_3j:Li-Nb-O-P, expected LiNb(P2O7)3 to be LiNb(PO3)4" +mp-757845,LiNb(PO3)4,-7.7314687868,-2.5634853163,0.1024866108,0.1024866108,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Nb-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Li-Nb-O-P, expected LiNbP15O47 to be LiNb(PO3)4" +mp-757053,LiNb(PO3)4,-7.731952625,-2.5639691545,0.1020027726,0.1020027726,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Li-Nb-O-P, expected LiNb(P5O21)2 to be LiNb(PO3)4" +mp-26767,LiNb(PO3)4,-7.7626642672,-2.5946807968,0.0712911304,0.0712911304,GGA,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_20f_4f:Li-Nb-O-P, expected LiNb(PO5)8 to be LiNb(PO3)4" +mp-1176609,LiNb(PO3)4,-7.7633256897,-2.5953422193,0.0706297079,0.0706297079,GGA,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Li-Nb-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Li-Nb-O-P, expected LiNb(P5O23)2 to be LiNb(PO3)4" +mp-757142,LiNb(PO3)4,-7.7262910738,-2.5583076033000003,0.1076643239,0.1076643239,GGA,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Li-Nb-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_23c_2ab6c:Li-Nb-O-P, expected Li2Nb2P15O46 to be LiNb(PO3)4" +mp-26549,LiNb(PO3)4,-7.7720252993,-2.6040418288,0.0619300983,0.0619300983,GGA,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Li-Nb-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_24d_7d:Li-Nb-O-P, expected LiNb(P7O24)2 to be LiNb(PO3)4" +mp-673070,LiNb(PO4)2,-7.9609150221,-2.7600531379,0.076203571,0.076203571,GGA,P2_1,ABC8D2_mP24_4_a_a_8a_2a:Li-Nb-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_4_a_a_14a_2a:Li-Nb-O-P, expected LiNb(PO7)2 to be LiNb(PO4)2" +mp-761656,Li4Co(PO4)2,-6.8746324237,-2.531690826,0.0612464013,0.0612464013,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Co-Li-O-P,30.0,AB4C8D2_aP15_2_a_2i_4i_i:Co-Li-O-P +mp-25995,Li4Co(PO4)2,-6.9345105215,-2.5915689238,0.0013683035,0.0013683035,GGA+U,P2_1/c,AB4C8D2_mP60_14_e_4e_8e_2e:Co-Li-O-P,60.0,"Invalid WP multiplicities - AB4C8D2_mP60_14_e_15e_30e_4e:Co-Li-O-P, expected Li15Co(P2O15)2 to be Li4Co(PO4)2" +mp-31557,LiCo6P7O24,-7.596864592,-2.302852059,0.0126246429,0.0126246429,GGA+U,P2_1/m,A6BC24D7_mP76_11_3f_e_2e11f_e3f:Co-Li-O-P,76.0,"Invalid WP multiplicities - A6BC24D7_mP76_11_8f_e_3e42f_e8f:Co-Li-O-P, expected LiCo16P17O87 to be LiCo6P7O24" +mp-699346,LiCo2(PO3)5,-7.4522649315,-2.3482474681,0.1000022195,0.1000022195,GGA+U,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Co-Li-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_2a_a_29a_10a:Co-Li-O-P, expected LiCo2P10O29 to be LiCo2(PO3)5" +mp-1101526,LiCo2(PO3)5,-7.546646713899999,-2.4426292505,0.0056204371,0.0056204371,GGA+U,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Co-Li-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_4a_a_30a_9a:Co-Li-O-P, expected LiCo4(P3O10)3 to be LiCo2(PO3)5" +mp-777751,Li3Nb3P8O29,-7.9281440448,-2.7469562215,0.0320393797,0.0320393797,GGA,C2/c,A3B3C29D8_mC172_15_af_ef_e14f_4f:Li-Nb-O-P,86.0,"Invalid WP multiplicities - A3B3C29D8_mC172_15_cf_ef_2e51f_9f:Li-Nb-O-P, expected Li3Nb3(P9O52)2 to be Li3Nb3P8O29" +mp-850631,Li3NbP3O11,-6.1804275631,-1.3758966195,1.4049468883,1.4049468883,GGA,P-1,A3BC11D3_aP36_2_3i_i_11i_3i:Li-Nb-O-P,36.0,"Invalid WP multiplicities - A3BC11D3_aP36_2_5i_i_21i_5i:Li-Nb-O-P, expected Li5NbP5O21 to be Li3NbP3O11" +mp-757765,Li3NbP3O11,-7.4760124881,-2.6714815445,0.1093619633,0.1093619633,GGA,P-1,A3BC11D3_aP36_2_3i_i_11i_3i:Li-Nb-O-P,36.0,"Invalid WP multiplicities - A3BC11D3_aP36_2_5i_i_21i_5i:Li-Nb-O-P, expected Li5NbP5O21 to be Li3NbP3O11" +mp-584239,LiCo3P3O11,-7.3599928672,-2.1440284453,0.1713523697,0.1713523697,GGA+U,P2_1/c,A3BC11D3_mP72_14_3e_e_11e_3e:Co-Li-O-P,72.0,"Invalid WP multiplicities - A3BC11D3_mP72_14_10e_e_40e_11e:Co-Li-O-P, expected LiCo10P11O40 to be LiCo3P3O11" +mp-1235425,LiNb2(PO5)2,-8.258081756,-2.7644134178,0.1188116186,0.1188116186,GGA,Pm,AB2C10D2_mP15_6_a_ab_3a3b2c_ab:Li-Nb-O-P,15.0,AB2C10D2_mP15_6_a_ab_3a3b2c_ab:Li-Nb-O-P +mp-1236143,LiNb2(PO5)2,-8.2822515287,-2.7885831905,0.0946418459,0.0946418459,GGA,C2/m,AB2C10D2_mC30_12_a_i_i2j_h:Li-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_mC30_12_a_i_i7j_h:Li-Nb-O-P, expected LiNb2(PO15)2 to be LiNb2(PO5)2" +mp-1235682,LiNb2(PO5)2,-8.2626735193,-2.7690051812,0.1142198552,0.1142198552,GGA,P-4m2,AB2C10D2_tP15_115_c_g_gjk_ab:Li-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_115_c_g_g3j2k_ab:Li-Nb-O-P, expected LiNb2(PO11)2 to be LiNb2(PO5)2" +mp-705373,Li6Co3P8O29,-7.1000339499,-2.3274495311,0.0561085793,0.0561085793,GGA+U,P1,A3B6C29D8_aP92_1_6a_12a_58a_16a:Co-Li-O-P,92.0,A3B6C29D8_aP92_1_6a_12a_58a_16a:Co-Li-O-P +mp-776308,Li6Co3P8O29,-7.0971590426,-2.3245746238,0.0589834865,0.0589834865,GGA+U,P1,A3B6C29D8_aP92_1_6a_12a_58a_16a:Co-Li-O-P,92.0,A3B6C29D8_aP92_1_6a_12a_58a_16a:Co-Li-O-P +mp-778384,Li4Co3P4O15,-7.1913883907,-2.3908427927,0.0746414626,0.0746414626,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Co-Li-O-P,104.0,"Invalid WP multiplicities - A3B4C15D4_oP104_33_9a_13a_57a_13a:Co-Li-O-P, expected Li13Co9P13O57 to be Li4Co3P4O15" +mp-757837,LiCoPO4,-7.2282645057,-2.3400790752,0.0686336043,0.052471196,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P +mp-757839,LiCoPO4,-7.2209075129,-2.3327220824,0.0759905971,0.0598281888,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_4i_2i_8i_2i:Co-Li-O-P, expected LiCo2PO4 to be LiCoPO4" +mp-757902,LiCoPO4,-7.2561773014,-2.367991871,0.0407208086,0.0245584003,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P +mp-754697,LiCoPO4,-7.2409631539,-2.3527777235,0.0559349561,0.0397725478,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Co-Li-O-P,28.0,ABC4D_aP14_2_i_i_4i_i:Co-Li-O-P +mp-1311311,LiCoPO4,-7.2292822518,-2.3410968213,0.0676158582,0.0514534499,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_i_7i_i:Co-Li-O-P, expected LiCoPO7 to be LiCoPO4" +mp-1306746,LiCoPO4,-7.1731473154,-2.2849618849,0.1237507946,0.1075883863,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_15i_3i:Co-Li-O-P, expected Li4Co2(PO5)3 to be LiCoPO4" +mp-757869,LiCoPO4,-7.2104434254,-2.3222579949,0.0864546846,0.0702922763,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Co-Li-O-P, expected LiCoPO5 to be LiCoPO4" +mp-1662205,LiCoPO4,-7.2696690771,-2.3814836467,0.0272290329,0.0110666246,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_7a_a:Co-Li-O-P, expected LiCoPO7 to be LiCoPO4" +mp-761780,LiCoPO4,-7.2228032329,-2.3346178024,0.0740948771,0.0579324688,GGA+U,C2,ABC4D_mC28_5_c_ab_4c_c:Co-Li-O-P,28.0,ABC4D_mC28_5_c_ab_4c_c:Co-Li-O-P +mp-758022,LiCoPO4,-7.29689811,-2.4087126795,0.0,-0.0161624083,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_4a_2a_8a_2a:Co-Li-O-P, expected LiCo2PO4 to be LiCoPO4" +mp-758248,LiCoPO4,-7.2494005714,-2.361215141,0.0474975386,0.0313351303,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_4a_2a_8a_2a:Co-Li-O-P, expected LiCo2PO4 to be LiCoPO4" +mp-26757,LiCoPO4,-7.2575475846,-2.3693621542,0.0393505254,0.0231881171,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_2a_4a_13a_3a:Co-Li-O-P, expected Li4Co2P3O13 to be LiCoPO4" +mp-766811,LiCoPO4,-7.2486245904,-2.3604391599,0.0482735196,0.0321111113,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-P +mp-759062,LiCoPO4,-7.2418087893,-2.3536233588,0.0550893207,0.0389269124,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Co-Li-O-P, expected LiCoPO8 to be LiCoPO4" +mp-863378,LiCoPO4,-7.2872656544,-2.3990802239,0.0096324556,-0.0065299527,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Co-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_15a_64a_14a:Co-Li-O-P, expected Li15Co16(P7O32)2 to be LiCoPO4" +mp-1176778,LiCoPO4,-7.288277325,-2.4000918945,0.008620785,-0.0075416233,GGA+U,Cc,ABC4D_mC28_9_2a_2a_8a_2a:Co-Li-O-P,28.0,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-P +mp-1176798,LiCoPO4,-6.8123923513,-1.9242069209,0.4845057587,0.4683433504,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Co-Li-O-P,112.0,ABC4D_mC224_9_16a_16a_64a_16a:Co-Li-O-P +mp-757368,LiCoPO4,-7.2172305996,-2.3290451692,0.0796675104,0.0635051021,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P +mp-757520,LiCoPO4,-7.2115847466,-2.3233993161,0.0853133634,0.0691509551,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Co-Li-O-P, expected Li3Co3P3O23 to be LiCoPO4" +mp-758543,LiCoPO4,-7.2154665736,-2.3272811431,0.0814315364,0.0652691281,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P +mp-758783,LiCoPO4,-7.2170340048,-2.3288485743000003,0.0798641052,0.0637016969,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Co-Li-O-P, expected Li3Co3P3O23 to be LiCoPO4" +mp-772516,LiCoPO4,-7.2193504754,-2.3311650449,0.0775476346,0.0613852263,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_5e_5e_29e_5e:Co-Li-O-P, expected Li5Co5P5O29 to be LiCoPO4" +mp-772438,LiCoPO4,-7.2273297532,-2.3391443227,0.0695683568,0.0534059485,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Co-Li-O-P, expected Li3Co3P3O31 to be LiCoPO4" +mp-757630,LiCoPO4,-7.2521864048,-2.3640009743,0.0447117052,0.0285492969,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Co-Li-O-P, expected Li9Co9P9O47 to be LiCoPO4" +mp-863373,LiCoPO4,-7.2176778021,-2.3294923717,0.0792203079,0.0630578996,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Co-Li-O-P, expected Li9Co9P9O47 to be LiCoPO4" +mp-863395,LiCoPO4,-7.2002709654,-2.3120855349,0.0966271446,0.0804647363,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Co-Li-O-P, expected Li9Co9P9O47 to be LiCoPO4" +mp-757969,LiCoPO4,-7.2161500179,-2.3279645874,0.0807480921,0.0645856838,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Co-Li-O-P, expected LiCoPO5 to be LiCoPO4" +mp-25889,LiCoPO4,-7.2538028996,-2.3656174692,0.0430952104,0.0269328021,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_7e_10e_45e_11e:Co-Li-O-P, expected Li10Co7P11O45 to be LiCoPO4" +mp-26017,LiCoPO4,-7.2928229954,-2.4046375649,0.0040751146,-0.0120872937,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_11e_e:Co-Li-O-P, expected LiCoPO11 to be LiCoPO4" +mp-1662129,LiCoPO4,-7.2182280411,-2.3300426106,0.0786700689,0.0625076606,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Co-Li-O-P, expected LiCoPO13 to be LiCoPO4" +mp-757018,LiCoPO4,-7.2302474904,-2.3420620599,0.0666506196,0.0504882113,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Co-Li-O-P,28.0,ABC4D_mC56_15_f_f_4f_f:Co-Li-O-P +mp-1661354,LiCoPO4,-7.2693694846,-2.3811840542,0.0275286254,0.0113662171,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_7a_a:Co-Li-O-P, expected LiCoPO7 to be LiCoPO4" +mp-758373,LiCoPO4,-7.291396778,-2.4032113476,0.005501332,-0.0106610763,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Co-Li-O-P, expected Li5Co5P5O29 to be LiCoPO4" +mp-757936,LiCoPO4,-7.2924043171,-2.4042188867,0.0044937929,-0.0116686154,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Co-Li-O-P, expected Li5Co5P5O29 to be LiCoPO4" +mp-1662822,LiCoPO4,-7.2154536786,-2.3272682481,0.0814444314,0.0652820231,GGA+U,Pca2_1,ABC4D_oP28_29_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_oP28_29_a_a_4a_a:Co-Li-O-P +mp-757672,LiCoPO4,-7.2514075146,-2.3632220842,0.0454905954,0.0293281871,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P +mp-757405,LiCoPO4,-7.2098700375,-2.321684607,0.0870280725,0.0708656642,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P +mp-757804,LiCoPO4,-7.2914193175,-2.403233887,0.0054787925,-0.0106836158,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P +mp-757880,LiCoPO4,-7.2362993393,-2.3481139088000003,0.0605987707,0.0444363624,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-P, expected LiCoPO13 to be LiCoPO4" +mp-757938,LiCoPO4,-7.2284284148,-2.3402429843,0.0684696952,0.0523072869,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Co-Li-O-P,56.0,ABC4D_oP56_33_4a_4a_16a_4a:Co-Li-O-P +mp-26919,LiCoPO4,-7.2498586421,-2.3616732117,0.0470394679,0.0308770596,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-P, expected LiCoPO13 to be LiCoPO4" +mp-26989,LiCoPO4,-7.2943732379,-2.4061878074,0.0025248721,-0.0136375362,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-P +mp-757894,LiCoPO4,-7.2106940454,-2.3225086149,0.0862040646,0.0700416563,GGA+U,Pbcn,ABC4D_oP28_60_c_c_2d_c:Co-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_60_c_c_5d_c:Co-Li-O-P, expected LiCoPO10 to be LiCoPO4" +mp-757437,LiCoPO4,-7.2258201723,-2.3376347418,0.0710779377,0.0549155294,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Co-Li-O-P, expected LiCoPO13 to be LiCoPO4" +mp-776295,LiCoPO4,-7.2504186432,-2.3622332127,0.0464794668,0.0303170585,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Co-Li-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Co-Li-O-P +mp-757650,LiCoPO4,-7.2445217546,-2.3563363242,0.0523763554,0.0362139471,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Co-Li-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Co-Li-O-P +mp-758092,LiCoPO4,-7.2070065625,-2.318821132,0.0898915475,0.0737291392,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-P +mp-18915,LiCoPO4,-7.2407595943,-2.3525741638,0.0561385157,0.0399761074,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-P +mp-27045,LiCoPO4,-7.2609419543,-2.3727565238,0.0359561557,0.0197937474,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-P,28.0,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-P +mp-762018,LiCoPO4,-7.2854627343,-2.3972773038,0.0114353757,-0.0047270326,GGA+U,I-4,ABC4D_tI14_82_a_b_g_c:Co-Li-O-P,14.0,ABC4D_tI14_82_a_b_g_c:Co-Li-O-P +mp-26021,LiCoPO4,-7.2901090533,-2.4019236229,0.0067890567,-0.0093733516,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Co-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_6b_4b_23b_2b:Co-Li-O-P, expected Li4Co6P2O23 to be LiCoPO4" +mp-752664,LiCoPO4,-7.230696155,-2.3425107245,0.066201955,0.0500395467,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Co-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_hR42_148_c_c_2c2f_c:Co-Li-O-P, expected LiCoPO8 to be LiCoPO4" +mp-758552,LiCoPO4,-7.2128819071,-2.3246964767,0.0840162029,0.0678537946,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Co-Li-O-P,28.0,ABC4D_hR42_148_c_c_cf_c:Co-Li-O-P +mp-757962,LiCoPO4,-7.2137737167,-2.3255882862,0.0831243933,0.066961985,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Co-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b15c_a4b:Co-Li-O-P, expected Li3Co3(PO10)5 to be LiCoPO4" +mp-25953,LiCoPO4,-7.2409644814,-2.352779051,0.0559336286,0.0397712203,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Co-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_2a4b16c_2a4b:Co-Li-O-P, expected LiCo(PO9)2 to be LiCoPO4" +mp-757780,LiCoPO4,-7.1851170304,-2.2969315999,0.1117810796,0.0956186713,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Co-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Co-Li-O-P, expected LiCoPO5 to be LiCoPO4" +mp-758064,LiCoPO4,-7.2150810266,-2.3268955961,0.0818170834,0.0656546751,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Co-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Co-Li-O-P, expected LiCoPO5 to be LiCoPO4" +mp-757563,LiCoPO4,-7.1656046526,-2.2774192221,0.1312934574,0.1151310491,GGA+U,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Co-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_17a_21a_89a_17a:Co-Li-O-P, expected Li21Co17P17O89 to be LiCoPO4" +mp-757928,LiCoPO4,-7.2120853988,-2.3238999683,0.0848127112,0.0686503029,GGA+U,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Co-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_a4b_c_21c_c:Co-Li-O-P, expected Li3Co5(PO21)3 to be LiCoPO4" +mp-753554,LiCoPO4,-7.2476574725,-2.359472042,0.0492406375,0.0330782292,GGA+U,P6_3,ABC4D_hP14_173_b_a_bc_b:Co-Li-O-P,28.0,ABC4D_hP14_173_b_a_bc_b:Co-Li-O-P +mp-863386,LiCoPO4,-7.2231755262,-2.3349900957,0.0737225838,0.0575601755,GGA+U,P6_3,ABC4D_hP126_173_3c_a2b2c_12c_3c:Co-Li-O-P,126.0,"Invalid WP multiplicities - ABC4D_hP126_173_15c_a4b9c_65c_15c:Co-Li-O-P, expected Li32Co45(P3O13)15 to be LiCoPO4" +mp-752622,LiCoPO4,-7.2325405088,-2.3443550783,0.0643576012,0.0481951929,GGA+U,P6_222,ABC4D_hP21_180_d_a_k_c:Co-Li-O-P,42.0,ABC4D_hP21_180_d_a_k_c:Co-Li-O-P +mp-765347,LiCoPO4,-7.1961002943,-2.3079148638,0.1007978157,0.0846354074,GGA+U,P6_422,ABC4D_hP84_181_adf_gi_4k_hj:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_a3d4f_3g2i_37k_6h5j:Co-Li-O-P, expected Li5Co6P11O74 to be LiCoPO4" +mp-863381,LiCoPO4,-7.2063114018,-2.3181259713,0.0905867082,0.0744242999,GGA+U,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_3g2i_a3d4f_37k_6h5j:Co-Li-O-P, expected Li6Co5P11O74 to be LiCoPO4" +mp-863390,LiCoPO4,-7.2143637119,-2.3261782814,0.0825343981,0.0663719898,GGA+U,P6_422,ABC4D_hP84_181_gi_bcf_4k_hj:Co-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_6g5i_b3c4f_37k_3h2j:Co-Li-O-P, expected Li6Co11P5O74 to be LiCoPO4" +mp-26177,Li3Co3(PO4)4,-7.1763192142,-2.2589364684,0.043022999,0.043022999,GGA+U,P1,A3B3C16D4_aP26_1_3a_3a_16a_4a:Co-Li-O-P,26.0,A3B3C16D4_aP26_1_3a_3a_16a_4a:Co-Li-O-P +mp-31614,Li3Co3(PO4)4,-7.1797448692,-2.2623621234,0.039597344,0.039597344,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_6a_6a_32a_6a:Co-Li-O-P, expected Li3Co3P3O16 to be Li3Co3(PO4)4" +mp-26135,Li3Co3(PO4)4,-7.1708815579,-2.2534988121,0.0484606553,0.0484606553,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Co-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_3a_29a_6a:Co-Li-O-P, expected Li3Co5P6O29 to be Li3Co3(PO4)4" +mp-26201,Li3Co3(PO4)4,-7.1780787829,-2.2606960371,0.0412634303,0.0412634303,GGA+U,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Co-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_14_2ae_2d2e_28e_5e:Co-Li-O-P, expected Li3Co2P5O28 to be Li3Co3(PO4)4" +mp-780762,Li4Co2(PO4)3,-7.0441335513,-2.4035383555,0.051771096,0.051771096,GGA+U,Pbcn,A2B4C12D3_oP84_60_d_2d_6d_cd:Co-Li-O-P,84.0,"Invalid WP multiplicities - A2B4C12D3_oP84_60_d_5d_21d_cd:Co-Li-O-P, expected Li10Co2(PO14)3 to be Li4Co2(PO4)3" +mp-769575,Li6Co5(P2O7)4,-7.3217784374,-2.4535054557,0.0153545106,0.0153545106,GGA+U,P-1,A5B6C28D8_aP47_2_b2i_ad2i_14i_4i:Co-Li-O-P,47.0,"Invalid WP multiplicities - A5B6C28D8_aP47_2_b4i_ad4i_27i_7i:Co-Li-O-P, expected Li10Co9(P7O27)2 to be Li6Co5(P2O7)4" +mp-705429,Li6Co5(P2O7)4,-7.2954899373,-2.4272169556,0.0416430107,0.0416430107,GGA+U,P-1,A5B6C28D8_aP94_2_5i_ab5i_28i_8i:Co-Li-O-P,94.0,"Invalid WP multiplicities - A5B6C28D8_aP94_2_9i_ab10i_55i_14i:Co-Li-O-P, expected Li11Co9P14O55 to be Li6Co5(P2O7)4" +mp-504376,Li6Co5(P2O7)4,-7.2871226224,-2.4188496407,0.0500103256,0.0500103256,GGA+U,P-1,A5B6C28D8_aP94_2_5i_ab5i_28i_8i:Co-Li-O-P,94.0,"Invalid WP multiplicities - A5B6C28D8_aP94_2_8i_ab10i_52i_14i:Co-Li-O-P, expected Li11Co8(P7O26)2 to be Li6Co5(P2O7)4" +mp-26015,LiCo(PO3)3,-7.4892989718,-2.5052027873,0.0,-0.0159136041,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_4i_36i_12i:Co-Li-O-P, expected Li4Co3(PO3)12 to be LiCo(PO3)3" +mp-504262,LiCo(PO3)3,-7.4642113379,-2.4801151534,0.0250876339,0.0091740298,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Co-Li-O-P,28.0,ABC9D3_aP28_2_i_i_9i_3i:Co-Li-O-P +mp-26991,LiCo(PO3)3,-7.4888346593,-2.5047384748,0.0004643125,-0.0154492916,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_32a_8a:Co-Li-O-P, expected LiCo(PO4)8 to be LiCo(PO3)3" +mp-584674,LiCo(PO3)3,-7.4656254188,-2.4815292343,0.023673553,0.0077599489,GGA+U,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Co-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_a_d_4d26e_2c3e:Co-Li-O-P, expected LiCo(PO7)8 to be LiCo(PO3)3" +mp-705362,Li2Co(PO3)5,-7.3343653348,-2.4564085204,0.0342584299,0.0342584299,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Co-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_6e23f_2e5f:Co-Li-O-P, expected Li2Co(P3O13)4 to be Li2Co(PO3)5" +mp-584817,LiCo5(P2O7)4,-7.3780753075,-2.1574987406,0.0846637102,0.0846637102,GGA+U,P-1,A5BC28D8_aP84_2_5i_ab_28i_8i:Co-Li-O-P,84.0,"Invalid WP multiplicities - A5BC28D8_aP84_2_9i_ab_55i_15i:Co-Li-O-P, expected LiCo9(P3O11)5 to be LiCo5(P2O7)4" +mp-22042,LiCo2P3O10,-7.5112635438,-2.3967414757,0.0016864522,0.0016864522,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Co-Li-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_6e5f_3e:Co-Li-O-P, expected LiCo2P3O16 to be LiCo2P3O10" +mp-504230,LiCo2P3O10,-7.4969545075,-2.3824324394,0.0159954884,0.0159954884,GGA+U,C2/c,A2BC10D3_mC64_15_f_e_5f_ef:Co-Li-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mC64_15_f_e_13f_2e2f:Co-Li-O-P, expected LiCo2(P3O13)2 to be LiCo2P3O10" +mp-1368321,LiNbPO5,-8.0003942072,-2.730772461,0.1108424648,0.1108424648,GGA,P1,ABC5D_aP32_1_4a_4a_20a_4a:Li-Nb-O-P,32.0,"Invalid WP multiplicities - ABC5D_mC64_5_3c_ab2c_20c_3c:Li-Nb-O-P, expected Li3Nb3P3O20 to be LiNbPO5" +mp-757734,LiNbPO5,-8.0293027878,-2.7596810416,0.0819338842,0.0819338842,GGA,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Li-Nb-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_3i_3i_19i_3i:Li-Nb-O-P, expected Li3Nb3P3O19 to be LiNbPO5" +mp-757505,LiNbPO5,-8.0149314437,-2.7453096976,0.0963052283,0.0963052283,GGA,C2,ABC5D_mC64_5_2c_abc_10c_2c:Li-Nb-O-P,32.0,"Invalid WP multiplicities - ABC5D_mC64_15_2ac_2b2e_20f_f:Li-Nb-O-P, expected Li3Nb4(PO20)2 to be LiNbPO5" +mp-1176599,LiNbPO5,-8.0165141387,-2.7468923926,0.0947225333,0.0947225333,GGA,C2/c,ABC5D_mC64_15_ac_de_5f_f:Li-Nb-O-P,32.0,"Invalid WP multiplicities - ABC5D_mC64_15_a2c_2d2e_20f_f:Li-Nb-O-P, expected Li3Nb4(PO20)2 to be LiNbPO5" +mp-774859,LiNbPO5,-8.03187174,-2.7622499938,0.079364932,0.079364932,GGA,Pnma,ABC5D_oP32_62_a_c_3cd_c:Li-Nb-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_9c4d_c:Li-Nb-O-P, expected LiNbPO17 to be LiNbPO5" +mp-705336,Li2Co3(P2O7)2,-7.3988604765,-2.3532234721,0.0483345976,0.0483345976,GGA+U,P-1,A3B2C14D4_aP46_2_3i_2i_14i_4i:Co-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_aP46_2_4i_4i_28i_7i:Co-Li-O-P, expected Li4Co4(PO4)7 to be Li2Co3(P2O7)2" +mp-540469,Li2Co3(P2O7)2,-7.3979029357,-2.3522659312,0.0492921385,0.0492921385,GGA+U,P-1,A3B2C14D4_aP23_2_ai_i_7i_2i:Co-Li-O-P,23.0,"Invalid WP multiplicities - A3B2C14D4_aP23_2_ai_i_14i_4i:Co-Li-O-P, expected Li2Co3(P2O7)4 to be Li2Co3(P2O7)2" +mp-584122,Li2Co3(P2O7)2,-7.4431563398,-2.3975193353,0.0040387343,0.0040387343,GGA+U,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Co-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_2a2e_e_25e_5e:Co-Li-O-P, expected LiCo3(PO5)5 to be Li2Co3(P2O7)2" +mp-757793,Li2Nb(PO4)2,-7.6617446658,-2.7141088599,0.0936896978,0.0936896978,GGA,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Li-Nb-O-P,26.0,A2BC8D2_mP26_7_2a_a_8a_2a:Li-Nb-O-P +mp-757817,Li2Nb(PO4)2,-7.648197331,-2.7005615251,0.1072370326,0.1072370326,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Li-Nb-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_3e_e_23e_3e:Li-Nb-O-P, expected Li3NbP3O23 to be Li2Nb(PO4)2" +mp-26721,Li2Nb(PO4)2,-7.6946014123,-2.7469656064,0.0608329513,0.0608329513,GGA,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Li-Nb-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_14_e_a_10e_e:Li-Nb-O-P, expected Li2Nb(PO10)2 to be Li2Nb(PO4)2" +mp-760377,Li2Nb(PO4)2,-7.6529123254,-2.7052765195,0.1025220382,0.1025220382,GGA,P-3,A2BC8D2_hP13_147_d_a_dg_d:Li-Nb-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_hP13_147_d_a_2d3g_d:Li-Nb-O-P, expected Li2Nb(PO11)2 to be Li2Nb(PO4)2" +mp-26203,Li3Co2P5O16,-7.3520944779,-2.4999046278,0.0175358394,0.0175358394,GGA+U,P2/c,A2B3C16D5_mP52_13_g_eg_8g_f2g:Co-Li-O-P,52.0,"Invalid WP multiplicities - A2B3C16D5_mP52_13_g_2e3g_30g_2f7g:Co-Li-O-P, expected Li4Co(P4O15)2 to be Li3Co2P5O16" +mp-673156,Li2NbP4O13,-7.6659490648,-2.6719833624,0.061804969,0.061804969,GGA,P-1,A2BC13D4_aP40_2_2i_i_13i_4i:Li-Nb-O-P,40.0,"Invalid WP multiplicities - A2BC13D4_aP40_2_2i_i_23i_7i:Li-Nb-O-P, expected Li2NbP7O23 to be Li2NbP4O13" +mp-773159,Li3Co2(PO4)3,-7.0600197753,-2.282840963,0.0809454339,0.0809454339,GGA+U,C2,A2B3C12D3_mC80_5_2c_ab2c_12c_ab2c:Co-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_5_2c_ab3c_24c_ab2c:Co-Li-O-P, expected Li4Co2(PO8)3 to be Li3Co2(PO4)3" +mp-774352,Li3Co2(PO4)3,-7.0826614411,-2.3054826289,0.058303768,0.058303768,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Co-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_45e_9e:Co-Li-O-P, expected Li3Co(PO5)3 to be Li3Co2(PO4)3" +mp-584742,Li3Co2(PO4)3,-7.0571583883,-2.279979576,0.0838068209,0.0838068209,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Co-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_47e_11e:Co-Li-O-P, expected Li9Co3P11O47 to be Li3Co2(PO4)3" +mp-26087,Li3Co2(PO4)3,-7.1217866556,-2.3446078434,0.0191785535,0.0191785535,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Co-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_7e_44e_11e:Co-Li-O-P, expected Li7Co3(PO4)11 to be Li3Co2(PO4)3" +mp-775012,Li3Co2(PO4)3,-7.0596606865,-2.2824818743,0.0813045227,0.0813045227,GGA+U,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Co-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_3c_f_17f_f:Co-Li-O-P, expected LiCoPO17 to be Li3Co2(PO4)3" +mp-758592,Li6NbCo3(PO4)6,-7.329032301,-2.4770288076,0.0852635374,0.0852635374,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Nb-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Nb-O-P +mp-776223,LiCo2(PO4)3,-7.1249135894,-2.0290396721,0.1192970386,0.1192970386,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Co-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_5i:Co-Li-O-P, expected LiCo3P5O23 to be LiCo2(PO4)3" +mp-889033,LiCo2(PO4)3,-2.7088010336,2.3870728837,4.5354095945,4.5354095945,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Co-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_5i:Co-Li-O-P, expected LiCo3P5O23 to be LiCo2(PO4)3" +mp-758309,LiCo2(PO4)3,-7.1337205221,-2.0378466048,0.110490106,0.110490106,GGA+U,P2_1,A2BC12D3_mP72_4_4a_2a_24a_6a:Co-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_4_6a_3a_46a_10a:Co-Li-O-P, expected Li3Co6(P5O23)2 to be LiCo2(PO4)3" +mp-863391,LiCo2(PO4)3,-7.1532880433,-2.057414126,0.0909225847,0.0909225847,GGA+U,P2_1,A2BC12D3_mP72_4_4a_2a_24a_6a:Co-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_4_4a_3a_46a_10a:Co-Li-O-P, expected Li3Co4(P5O23)2 to be LiCo2(PO4)3" +mp-764732,LiCo2(PO4)3,-7.0951525646,-1.9992786473,0.1490580635,0.1490580635,GGA+U,Pc,A2BC12D3_mP72_7_4a_2a_24a_6a:Co-Li-O-P,72.0,A2BC12D3_mP72_7_8a_4a_48a_12a:Co-Li-O-P +mp-26088,LiCo2(PO4)3,-7.1442386139,-2.0483646966,0.0999720142,0.0999720142,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Co-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_3e_e_44e_11e:Co-Li-O-P, expected LiCo3(PO4)11 to be LiCo2(PO4)3" +mp-758304,LiCo2(PO4)3,-7.1455523822,-2.0496784649,0.0986582459,0.0986582459,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Co-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_17f_e:Co-Li-O-P, expected LiCo2(PO34)3 to be LiCo2(PO4)3" +mp-775324,Li11Co12(PO4)12,-7.2558317105,-2.3317515503,0.0543459742,0.0543459742,GGA+U,P-1,A12B11C48D12_aP83_2_6i_abc4i_24i_6i:Co-Li-O-P,83.0,"Invalid WP multiplicities - A12B11C48D12_aP83_2_11i_abc7i_47i_11i:Co-Li-O-P, expected Li17Co22(P11O47)2 to be Li11Co12(PO4)12" +mp-1101531,Li9Co3P8O29,-7.0699605461,-2.4727023448,0.0294071017,0.0294071017,GGA+U,Cc,A3B9C29D8_mC196_9_3a_9a_29a_8a:Co-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_mC196_9_4a_14a_56a_12a:Co-Li-O-P, expected Li7Co2(P3O14)2 to be Li9Co3P8O29" +mp-584450,Li9Co3P8O29,-7.0711162418,-2.4738580405,0.028251406,0.028251406,GGA+U,C2/c,A3B9C29D8_mC196_15_ef_a4f_e14f_4f:Co-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_mC196_15_ef_2c15f_2e55f_15f:Co-Li-O-P, expected Li32Co3(P15O56)2 to be Li9Co3P8O29" +mp-583985,Li9Co3P8O29,-7.0845413584,-2.487283157,0.0148262895,0.0148262895,GGA+U,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Co-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_2b4d6g_4d6f40g_4d5g:Co-Li-O-P, expected Li46Co3(PO7)38 to be Li9Co3P8O29" +mp-775872,LiCo3P4O15,-7.326535531,-2.1488217507,0.0792338583,0.0792338583,GGA+U,P1,A3BC15D4_aP92_1_12a_4a_60a_16a:Co-Li-O-P,92.0,A3BC15D4_aP92_1_12a_4a_60a_16a:Co-Li-O-P +mp-26551,Li4Co5(P3O11)2,-7.3325117724,-2.3464510392,0.0578141801,0.0578141801,GGA+U,P2_1/c,A5B4C22D6_mP74_14_a2e_2e_11e_3e:Co-Li-O-P,74.0,"Invalid WP multiplicities - A5B4C22D6_mP74_14_2a5e_6e_43e_11e:Co-Li-O-P, expected Li6Co6P11O43 to be Li4Co5(P3O11)2" +mp-1191829,Li2Co12P7,-6.6882821624,-0.6401499329,0.0,-0.0427172063,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Li-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Li-P +mp-26567,LiCo3(P3O10)2,-7.4027808682,-2.2478653509,0.0528141993,0.0528141993,GGA+U,C222_1,A3BC20D6_oC120_20_a2b_a_10c_3c:Co-Li-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_20_2a3b_a_22c_9c:Co-Li-O-P, expected LiCo5(P9O22)2 to be LiCo3(P3O10)2" +mp-705372,LiCo(PO3)5,-7.3517012364,-2.3387883335,0.0445268408,0.0445268408,GGA+U,P2_1/c,ABC15D5_mP88_14_ac_e_15e_5e:Co-Li-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_2a2c_e_57e_16e:Co-Li-O-P, expected LiCo2P16O57 to be LiCo(PO3)5" +mp-818640,LiCo(PO3)5,-6.9617482993,-1.9488353964,0.4344797779,0.4344797779,GGA+U,P2_1/c,ABC15D5_mP88_14_e_e_15e_5e:Co-Li-O-P,88.0,ABC15D5_mP88_14_e_e_15e_5e:Co-Li-O-P +mp-684534,LiNbP4O13,-7.8377478684,-2.6814114905,0.0142652284,0.0142652284,GGA,P1,ABC13D4_aP76_1_4a_4a_52a_16a:Li-Nb-O-P,76.0,ABC13D4_aP76_1_4a_4a_52a_16a:Li-Nb-O-P +mp-778109,Li6Nb3P8O29,-7.6763237901,-2.708544551,0.0745213948,0.0745213948,GGA,P1,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Nb-O-P,92.0,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Nb-O-P +mp-25996,Li3Co(PO4)2,-6.9761142373,-2.4593141589,0.0192936786,0.0192936786,GGA+U,P2_1,AB3C8D2_mP56_4_2a_6a_16a_4a:Co-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_4_2a_10a_32a_6a:Co-Li-O-P, expected Li5CoP3O16 to be Li3Co(PO4)2" +mp-8864,Li(Co3P2)2,-6.6662651727,-0.6469888397,0.0,-0.0163802819,GGA,P-6m2,A6BC4_hP11_187_jk_a_ck:Co-Li-P,11.0,"Invalid WP multiplicities - A6BC4_hP11_187_j2k_a_c2k:Co-Li-P, expected LiCo9P7 to be Li(Co3P2)2" +mp-778150,Li9Nb3P8O29,-7.4344174258,-2.6539151075,0.1084371046,0.1084371046,GGA,P-3c1,A9B3C29D8_hP98_165_bdg_f_df4g_dg:Li-Nb-O-P,98.0,"Invalid WP multiplicities - A9B3C29D8_hP98_165_b2d3g_f_2d6f45g_2d3g:Li-Nb-O-P, expected Li23Nb3(P11O146)2 to be Li9Nb3P8O29" +mp-26591,LiNb2(PO4)3,-8.1971751328,-2.7687470771,0.0579883854,0.0579883854,GGA,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Li-Nb-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_4i_23i_5i:Li-Nb-O-P, expected LiNb4P5O23 to be LiNb2(PO4)3" +mp-26533,LiNb2(PO4)3,-8.1994521369,-2.7710240813,0.0557113813,0.0557113813,GGA,Cc,AB2C12D3_mC72_9_a_2a_12a_3a:Li-Nb-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_9_a_4a_24a_5a:Li-Nb-O-P, expected LiNb4P5O24 to be LiNb2(PO4)3" +mp-26389,LiNb2(PO4)3,-8.2074011592,-2.7789731035000003,0.047762359,0.047762359,GGA,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Nb-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_5e_47e_9e:Li-Nb-O-P, expected LiNb5P9O47 to be LiNb2(PO4)3" +mp-757007,Li3CoPO5,-6.6985809163,-2.4003976705,0.059912646,0.059912646,GGA+U,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Co-Li-O-P,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:Co-Li-O-P, expected Li6CoPO10 to be Li3CoPO5" +mp-1013912,LiCo3P3O13,-7.239887033,-2.0508501821,0.0497210771,0.0497210771,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Co-Li-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Co-Li-O-P, expected LiCo5P3O34 to be LiCo3P3O13" +mp-26204,LiCo2P5O16,-7.4295039225,-2.3320418238,0.0198401885,0.0198401885,GGA+U,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Co-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_2a_a_29a_10a:Co-Li-O-P, expected LiCo2P10O29 to be LiCo2P5O16" +mp-776371,Li2Nb2(PO4)3,-7.9370568992,-2.6938659588,0.1119048661,0.1119048661,GGA,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Li-Nb-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_23f_ef:Li-Nb-O-P, expected Li2Nb2P3O46 to be Li2Nb2(PO4)3" +mp-540530,Li2Co(PO3)4,-7.3501238626,-2.5111955421000003,0.046302531,0.046302531,GGA+U,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Co-Li-O-P,19.0,"Invalid WP multiplicities - AB2C12D4_aP19_2_a_i_12i_2i:Co-Li-O-P, expected Li2Co(PO6)4 to be Li2Co(PO3)4" +mp-705277,Li2Co(PO3)4,-7.3797245095,-2.5407961889,0.0167018842,0.0167018842,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Co-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_4e_47e_14e:Co-Li-O-P, expected Li4CoP14O47 to be Li2Co(PO3)4" +mp-31560,Li2Co(PO3)4,-7.3480698929,-2.5091415724,0.0483565007,0.0483565007,GGA+U,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Co-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_14_a_e_17e_6e:Co-Li-O-P, expected Li2Co(P6O17)2 to be Li2Co(PO3)4" +mp-26359,Li2Co(PO3)4,-7.3834154034,-2.5444870829,0.0130109902,0.0130109902,GGA+U,C2/c,AB2C12D4_mC76_15_e_f_2e5f_2f:Co-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_15_e_f_4e12f_5f:Co-Li-O-P, expected Li2Co(P5O14)2 to be Li2Co(PO3)4" +mp-1013953,LiCo2P2O9,-7.1436604088,-2.0384917037,0.0640945085,0.0640945085,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Co-Li-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Co-Li-O-P, expected LiCo2P2O11 to be LiCo2P2O9" +mp-26515,Li2CoP2O7,-7.1938005925,-2.4955014658,0.0362162945,0.0362162945,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P +mp-1575669,Li2CoP2O7,-7.21249021,-2.5141910833,0.017526677,0.017526677,GGA+U,P1,AB2C7D2_aP24_1_2a_4a_14a_4a:Co-Li-O-P,24.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P +mp-1639240,Li2CoP2O7,-7.1671029458,-2.4688038191,0.0629139412,0.0629139412,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P +mp-1643968,Li2CoP2O7,-7.1521320192,-2.4538328925,0.0778848678,0.0778848678,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Co-Li-O-P +mp-697726,Li2CoP2O7,-7.195857915,-2.4975587883,0.034158972,0.034158972,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_14i_3i:Co-Li-O-P, expected Li3CoP3O14 to be Li2CoP2O7" +mp-757366,Li2CoP2O7,-7.186730491,-2.4884313643,0.043286396,0.043286396,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P +mp-757411,Li2CoP2O7,-7.1701544542,-2.4718553275,0.0598624328,0.0598624328,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P +mp-540257,Li2CoP2O7,-7.2144996227,-2.516200496,0.0155172643,0.0155172643,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Co-Li-O-P +mp-778815,Li2CoP2O7,-7.2153977662,-2.5170986395,0.0146191208,0.0146191208,GGA+U,P2_1,AB2C7D2_mP24_4_a_2a_7a_2a:Co-Li-O-P,48.0,AB2C7D2_mP24_4_a_2a_7a_2a:Co-Li-O-P +mp-757506,Li2CoP2O7,-7.129517941,-2.4312188143,0.100498946,0.100498946,GGA+U,P2_1,AB2C7D2_mP96_4_4a_8a_28a_8a:Co-Li-O-P,96.0,"Invalid WP multiplicities - AB2C7D2_mP96_4_7a_15a_55a_15a:Co-Li-O-P, expected Li15Co7(P3O11)5 to be Li2CoP2O7" +mp-1642784,Li2CoP2O7,-7.1616455479,-2.4633464212,0.0683713391,0.0683713391,GGA+U,Cc,AB2C7D2_mC48_9_a_2a_7a_2a:Co-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mC48_9_a_4a_13a_4a:Co-Li-O-P, expected Li4CoP4O13 to be Li2CoP2O7" +mp-757776,Li2CoP2O7,-7.1854140729,-2.4871149462,0.0446028141,0.0446028141,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Co-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_3e_25e_7e:Co-Li-O-P, expected Li3CoP7O25 to be Li2CoP2O7" +mp-26333,Li2CoP2O7,-7.2025738827,-2.504274756,0.0274430043,0.0274430043,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Co-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_6e_24e_5e:Co-Li-O-P, expected Li6CoP5O24 to be Li2CoP2O7" +mp-31604,Li2CoP2O7,-7.193638219,-2.4953390923,0.0363786681,0.0363786681,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Co-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_7e_24e_4e:Co-Li-O-P, expected Li7Co(PO6)4 to be Li2CoP2O7" +mp-757369,Li2CoP2O7,-7.0757544667,-2.37745534,0.1542624203,0.1542624203,GGA+U,C2/c,AB2C7D2_mC48_15_c_f_e3f_f:Co-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_a_f_2e11f_f:Co-Li-O-P, expected Li2Co(PO12)2 to be Li2CoP2O7" +mp-757807,Li2CoP2O7,-7.1375681425,-2.4392690158,0.0924487445,0.0924487445,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Co-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_e11f_f:Co-Li-O-P, expected Li2CoP2O23 to be Li2CoP2O7" +mp-757831,Li2CoP2O7,-7.168685609,-2.4703864823,0.0613312781,0.0613312781,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Co-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mC96_15_f_3e2f_13f_3f:Co-Li-O-P, expected Li7Co2(P3O13)2 to be Li2CoP2O7" +mp-26089,Li2CoP2O7,-7.2162472385,-2.5179481118,0.0137696485,0.0137696485,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Co-Li-O-P,48.0,AB2C7D2_mC48_15_c_f_e3f_f:Co-Li-O-P +mp-778006,Li2CoP2O7,-7.1730420235,-2.4747428968,0.0569748635,0.0569748635,GGA+U,Pna2_1,AB2C7D2_oP96_33_2a_4a_14a_4a:Co-Li-O-P,96.0,AB2C7D2_oP96_33_4a_8a_28a_8a:Co-Li-O-P +mp-757848,Li2CoP2O7,-7.1754198819,-2.4771207552,0.0545970051,0.0545970051,GGA+U,Imma,AB2C7D2_oI48_74_a_f_eij_i:Co-Li-O-P,48.0,AB2C7D2_oI48_74_a_f_eij_i:Co-Li-O-P +mp-756993,Li2CoP2O7,-7.1618711979,-2.4635720712,0.0681456891,0.0681456891,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Co-Li-O-P,24.0,AB2C7D2_tP24_113_a_e_cef_e:Co-Li-O-P +mp-584942,LiCoP2O7,-7.2720067961,-2.3201280094,0.052130407,0.052130407,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P +mp-727147,LiCoP2O7,-1.5746011339,3.3772776528,5.7495360692,5.7495360692,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P +mp-26406,LiCoP2O7,-7.2338182295,-2.2819394428,0.0903189736,0.0903189736,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Co-Li-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Co-Li-O-P +mp-780586,LiCoP2O7,-7.2665597082,-2.3146809215,0.0575774949,0.0575774949,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P +mp-807720,LiCoP2O7,-2.6520972525,2.2997815342,4.6720399506,4.6720399506,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P +mp-26197,LiCoP2O7,-7.2843489061,-2.3324701194,0.039788297,0.039788297,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_27f_4f:Co-Li-O-P, expected LiCoP4O27 to be LiCoP2O7" +mp-1569230,LiCoP2O7,-7.2642330795,-2.3123542928,0.0599041236,0.0599041236,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Co-Li-O-P +mp-754170,LiCoP2O7,-7.2952064091,-2.3433276224,0.028930794,0.028930794,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Co-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Co-Li-O-P, expected LiCoP3O13 to be LiCoP2O7" +mp-26423,LiCoP2O7,-7.2728268418,-2.3209480551,0.0513103613,0.0513103613,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Co-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_10i_3i:Co-Li-O-P, expected LiCoP3O10 to be LiCoP2O7" +mp-26995,LiCoP2O7,-7.2699248105,-2.3180460238,0.0542123927,0.0542123927,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Co-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_14a_4a:Co-Li-O-P, expected LiCo(P2O7)2 to be LiCoP2O7" +mp-27043,LiCoP2O7,-7.3057163773,-2.3538375906,0.0184208258,0.0184208258,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Co-Li-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Co-Li-O-P, expected LiCoP2O13 to be LiCoP2O7" +mp-766426,LiCoP2O7,-7.2677388157,-2.315860029,0.0563983874,0.0563983874,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_3a_28a_8a:Co-Li-O-P, expected Li3Co2(P2O7)4 to be LiCoP2O7" +mp-26456,LiCoP2O7,-7.2383324698,-2.2864536831,0.0858047333,0.0858047333,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_4a_27a_7a:Co-Li-O-P, expected Li4Co2P7O27 to be LiCoP2O7" +mp-1647114,LiCoP2O7,-7.2642566816,-2.3123778949,0.0598805215,0.0598805215,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_4a_28a_8a:Co-Li-O-P, expected Li2Co(P2O7)2 to be LiCoP2O7" +mp-540133,LiCoP2O7,-7.2631435314,-2.3112647447,0.0609936717,0.0609936717,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Co-Li-O-P,22.0,ABC7D2_mC44_9_a_a_7a_2a:Co-Li-O-P +mp-1176787,LiCoP2O7,-7.2539368227,-2.302058036,0.0702003804,0.0702003804,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Co-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_12a_2a:Co-Li-O-P, expected LiCo(PO6)2 to be LiCoP2O7" +mp-705301,LiCoP2O7,-7.2559059816,-2.3040271949,0.0682312215,0.0682312215,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_3e:Co-Li-O-P, expected LiCo(PO8)3 to be LiCoP2O7" +mp-26639,LiCoP2O7,-7.2708359877,-2.318957201,0.0533012154,0.0533012154,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_6e:Co-Li-O-P, expected LiCo(P3O13)2 to be LiCoP2O7" +mp-26647,LiCoP2O7,-7.2677642598,-2.3158854731,0.0563729433,0.0563729433,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_6e:Co-Li-O-P, expected LiCo(P2O9)3 to be LiCoP2O7" +mp-26847,LiCoP2O7,-7.2717316175,-2.3198528308,0.0524055856,0.0524055856,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_6e:Co-Li-O-P, expected LiCo(PO4)6 to be LiCoP2O7" +mp-26715,LiCoP2O7,-7.2893073661,-2.3374285794,0.034829837,0.034829837,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_3e:Co-Li-O-P, expected LiCoP3O26 to be LiCoP2O7" +mp-705332,LiCoP2O7,-7.2462526595,-2.2943738728,0.0778845436,0.0778845436,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Co-Li-O-P, expected LiCo(PO5)5 to be LiCoP2O7" +mp-1193831,CoSiN5ClF6,-6.1361379771,-1.3123150546,0.4324904568,0.4324904568,GGA+U,P2_1/m,ABC6D5E_mP28_11_e_e_2e2f_e2f_e:Cl-Co-F-N-Si,28.0,ABC6D5E_mP28_11_e_e_2e2f_e2f_e:Cl-Co-F-N-Si +mp-1246538,CoSi7N10,-8.1121890744,-0.9760505603,0.2088854896,0.2088854896,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Co-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Co-N-Si +mp-28583,Si2NCl5,-5.1899088891,-1.6361821034,0.0090627259,0.0090627259,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-N-Si,32.0,A5BC2_mP32_14_5e_e_2e:Cl-N-Si +mp-1245339,Co5(SiN3)2,-7.3664369337,0.0498088037,0.5556240396000001,0.5556240396000001,GGA,P-4b2,A5B6C2_tP52_117_cd2i_gh2i_i:Co-N-Si,52.0,A5B6C2_tP52_117_cd2i_gh2i_i:Co-N-Si +mp-1147704,CoSiN2,-7.86328213,-0.5616257113,0.2220116758,0.2220116758,GGA,I-42d,AB2C_tI16_122_a_d_b:Co-N-Si,8.0,AB2C_tI16_122_a_d_b:Co-N-Si +mp-1246895,CoSi2N3,-7.9431218992,-0.7817154608,0.2378974747,0.2378974747,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Co-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Co-N-Si +mp-1219293,Si3NCl9,-4.8305095865,-1.6574881285,0.0249807644,0.0249807644,GGA,P1,A9BC3_aP26_1_18a_2a_6a:Cl-N-Si,26.0,A9BC3_aP26_1_18a_2a_6a:Cl-N-Si +mp-676128,Si3NCl9,-4.4596604527,-1.2866389946,0.3958298982,0.3958298982,GGA,P-1,A9BC3_aP26_2_9i_i_3i:Cl-N-Si,26.0,"Invalid WP multiplicities - A9BC3_aP26_2_17i_i_5i:Cl-N-Si, expected Si5NCl17 to be Si3NCl9" +mp-1247482,Co7SiN6,-7.5071332964,0.0073318568,0.2750138202,0.2750138202,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Co-N-Si,56.0,A7B6C_oP56_60_c3d_3d_c:Co-N-Si +mp-1245708,Co3Si6N11,-7.6775909935,-0.3986757065,0.533204083,0.533204083,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Co-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Co-N-Si +mp-1229056,As3P3Pb10(ClO12)2,-6.5413927769,-2.0232657335,0.004061025,0.004061025,GGA,P-6,A3B2C24D3E10_hP42_174_j_g_2j2k2l_k_hijk:As-Cl-O-P-Pb,42.0,"Invalid WP multiplicities - A3B2C24D3E10_hP42_174_j_g_2j2k3l_k_2hijk:As-Cl-O-P-Pb, expected As3P3Pb12(ClO15)2 to be As3P3Pb10(ClO12)2" +mp-504748,P3Pb5ClO12,-6.8702215143,-2.2982241779,0.0,-0.0174949393,GGA,P6_3/m,AB12C3D5_hP42_176_b_2hi_h_fh:Cl-O-P-Pb,42.0,AB12C3D5_hP42_176_b_2hi_h_fh:Cl-O-P-Pb +mp-1229257,AsP3(PbO8)2,-6.3124864723,-1.4274255884,0.4547179293,0.4547179293,GGA,P1,AB16C3D2_aP22_1_a_16a_3a_2a:As-O-P-Pb,22.0,AB16C3D2_aP22_1_a_16a_3a_2a:As-O-P-Pb +mp-557210,Cu3NiH6(ClO3)2,-5.1318605619,-1.1423428649,0.0,-0.0034493696,GGA+U,R-3m,A2B3C6DE6_hR54_166_c_d_h_a_h:Cl-Cu-H-Ni-O,36.0,A2B3C6DE6_hR54_166_c_d_h_a_h:Cl-Cu-H-Ni-O +mp-1197987,Na3B6BrO10,-7.4498504029,-2.6966583055,0.0007070717,0.0007070717,GGA,Pnma,A6BC3D10_oP80_62_2c2d_c_abc_2c4d:B-Br-Na-O,80.0,A6BC3D10_oP80_62_2c2d_c_abc_2c4d:B-Br-Na-O +mp-8872,RbNa2BO3,-5.84409255,-2.2519436123,0.0,-0.0786648287,GGA,Pmmn,AB2C3D_oP14_59_a_e_af_b:B-Na-O-Rb,14.0,"Invalid WP multiplicities - AB2C3D_oP14_59_a_e_a2f_b:B-Na-O-Rb, expected RbNa2BO5 to be RbNa2BO3" +mp-1195617,RbNa2B6BrO10,-7.4497121701,-2.7136196338,0.0021374035,0.0021374035,GGA,Pnma,A6BC2D10E_oP80_62_2c2d_c_ac_2c4d_b:B-Br-Na-O-Rb,80.0,A6BC2D10E_oP80_62_2c2d_c_ac_2c4d_b:B-Br-Na-O-Rb +mp-1196557,Na11B21(BrO18)2,-7.5131642236,-2.7131377139,0.0028304246,0.0028304246,GGA,C2/c,A21B2C11D36_mC280_15_e10f_f_c5f_2e17f:B-Br-Na-O,140.0,A21B2C11D36_mC280_15_e10f_f_a5f_2e17f:B-Br-Na-O +mp-551135,BaCuB2O5,-7.4923413733,-2.5911848502,0.0277515378,0.0277515378,GGA,C2,A2BCD5_mC18_5_c_b_a_a2c:B-Ba-Cu-O,9.0,A2BCD5_mC18_5_c_b_a_a2c:B-Ba-Cu-O +mp-1214584,Ba3Sm(BO2)9,-8.2723397008,-3.1229708719,0.0090974017,0.0090974017,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Sm,62.0,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Sm +mp-1214336,BaSmCuBO5,-7.5379653983,-2.8546761681,0.0016954972,0.0016954972,GGA,P4bm,ABCD5E_tP18_100_b_a_b_b2c_a:B-Ba-Cu-O-Sm,18.0,ABCD5E_tP18_100_b_a_b_b2c_a:B-Ba-Cu-O-Sm +mp-1228060,Ba3SmB24,-6.523616395,-0.4242980573,0.0,-0.0030689025,GGA,P4/mmm,A24B3C_tP28_123_4h2t_ag_b:B-Ba-Sm,28.0,"Invalid WP multiplicities - A24B3C_tP28_123_8h11t_a2g_b:B-Ba-Sm, expected Ba5SmB104 to be Ba3SmB24" +mp-559180,Ba2Cu(BO3)2,-7.371871517,-2.7376831208,0.0048014866,0.0048014866,GGA,Pnma,A2B2CD6_oP88_62_2cd_acd_2c_2c5d:B-Ba-Cu-O,88.0,"Invalid WP multiplicities - A2B2CD6_oP88_62_7c5d_4a2c5d_6c_8c33d:B-Ba-Cu-O, expected Ba16Cu6B17O74 to be Ba2Cu(BO3)2" +mp-1214479,Ba5Y8Zn4O21,-7.7053776079,-3.225217582,0.012574262,0.012574262,GGA,I4/m,A5B21C8D4_tI76_87_ah_bh2i_2h_h:Ba-O-Y-Zn,38.0,A5B21C8D4_tI76_87_ah_bh2i_2h_h:Ba-O-Y-Zn +mp-552575,BaYCo2O5,-7.5824375089,-2.3229347089,0.1190059503,0.1190059503,GGA+U,Pmmm,AB2C5D_oP9_47_a_l_gjk_b:Ba-Co-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_oP18_25_f_2a2c_a2bc2d3e_f:Ba-Co-O-Y, expected BaY(CoO3)2 to be BaYCo2O5" +mp-1182125,BaYCo2O5,-7.631847615,-2.372344815,0.0695958442,0.0695958442,GGA+U,Pmma,AB2C5D_oP18_51_a_2f_2efj_c:Ba-Co-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_oP18_51_a_2f_4e2f2j_c:Ba-Co-O-Y, expected BaY(CoO5)2 to be BaYCo2O5" +mp-19759,BaYCo2O5,-7.6257674889,-2.3662646889,0.0756759703,0.0756759703,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Co-O-Y,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Co-O-Y +mp-1205054,Ba2YCoO5,-7.4998022628,-2.8168931134,0.0,-0.0041827018,GGA+U,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:Ba-Co-O-Y,36.0,A2BC5D_mP36_14_2e_e_5e_e:Ba-Co-O-Y +mp-1192423,BaYCo4O7,-7.5353067431,-2.0394961114,0.0464679621,0.0464679621,GGA+U,Cc,AB4C7D_mC52_9_a_4a_7a_a:Ba-Co-O-Y,26.0,"Invalid WP multiplicities - AB4C7D_mC52_9_a_7a_13a_a:Ba-Co-O-Y, expected BaYCo7O13 to be BaYCo4O7" +mp-1194048,BaYCo4O7,-7.5596613227,-2.063850691,0.0221133825,0.0221133825,GGA+U,Cmc2_1,AB4C7D_oC52_36_a_2ab_3a2b_a:Ba-Co-O-Y,26.0,"Invalid WP multiplicities - AB4C7D_oC52_36_a_3a2b_5a4b_a:Ba-Co-O-Y, expected BaYCo7O13 to be BaYCo4O7" +mp-19151,BaYCo4O7,-7.5461501635,-2.0503395318,0.0356245417,0.0356245417,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Co-O-Y,26.0,"Invalid WP multiplicities - AB4C7D_hP26_186_b_2a2c_2a8c_b:Ba-Co-O-Y, expected BaY(Co4O13)2 to be BaYCo4O7" +mp-1196872,Ba6Y2Co4O15,-7.2995600937,-2.592878845,0.0,-0.0148386601,GGA+U,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Co-O-Y,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Co-O-Y +mp-1048020,Ba2YCo3O8,-7.325598725,-2.2396784344,0.063583837,0.063583837,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Co-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Co-O-Y, expected Ba2YCo5O16 to be Ba2YCo3O8" +mp-1228317,Ba2Y2Zn8O13,-6.0183604672,-2.3721286979,0.0392841761,0.0392841761,GGA,Cm,A2B13C2D8_mC50_8_2a_5a4b_2a_4a2b:Ba-O-Y-Zn,25.0,A2B13C2D8_mC50_8_2a_5a4b_2a_4a2b:Ba-O-Y-Zn +mp-541574,BaY2CoO5,-8.2624727592,-3.0742862572,0.060895505,0.060895505,GGA+U,Pnma,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Y,36.0,ABC5D2_oP36_62_c_c_c2d_2c:Ba-Co-O-Y +mp-1366002,Ba3Y4(CoO5)3,-7.6775609587,-2.5916372256,0.2292208598,0.2292208598,GGA+U,Pnma,A3B3C15D4_oP100_62_3c_3c_3c6d_4c:Ba-Co-O-Y,100.0,"Invalid WP multiplicities - A3B3C15D4_oP100_62_12c_12c_11c44d_13c:Ba-Co-O-Y, expected Ba12Y13(Co4O33)3 to be Ba3Y4(CoO5)3" +mp-1334271,Ba3Y5(CoO5)3,-7.9965232791,-2.8575015699,0.1456028353,0.1456028353,GGA+U,P2_1/c,A3B3C15D5_mP104_14_3e_3e_15e_5e:Ba-Co-O-Y,104.0,"Invalid WP multiplicities - A3B3C15D5_mP104_14_10e_10e_58e_16e:Ba-Co-O-Y, expected Ba5Y8Co5O29 to be Ba3Y5(CoO5)3" +mp-6121,BaY2ZnO5,-7.7748473092,-3.2365023833,0.0215707281,0.0215707281,GGA,Pnma,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Y-Zn,36.0,AB5C2D_oP36_62_c_c2d_2c_c:Ba-O-Y-Zn +mp-1214560,Ba2Y2Co4O11,-7.5337951095,-2.2907562089,0.105817266,0.105817266,GGA+U,Pmmm,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Y,19.0,A2B4C11D2_oP19_47_n_ik_abejly_p:Ba-Co-O-Y +mp-646218,BaY(CoO2)4,-7.4444395701,-1.9878519327,0.0556367478,0.0556367478,GGA+U,Pca2_1,AB4C8D_oP112_29_2a_8a_16a_2a:Ba-Co-O-Y,112.0,"Invalid WP multiplicities - AB4C8D_oP112_29_7a_30a_61a_4a:Ba-Co-O-Y, expected Ba7Y4Co30O61 to be BaY(CoO2)4" +mp-1048316,Ba2YCo3O7,-7.2870290138,-2.1903986018,0.1558087892,0.1558087892,GGA+U,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Co-O-Y,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Co-O-Y +mp-1227396,BaYZn3CoO7,-6.4293092285,-2.2831695625,0.0396211523,0.0396211523,GGA+U,P6_3mc,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Co-O-Y-Zn,26.0,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Co-O-Y-Zn +mp-1228471,Ba2Y2Co4O9,-7.6007909482,-2.3228873195,0.1309315906,0.1309315906,GGA+U,Pm,A2B4C9D2_mP17_6_2a_4b_3a6b_2a:Ba-Co-O-Y,17.0,A2B4C9D2_mP17_6_2a_4b_3a6b_2a:Ba-Co-O-Y +mp-1516632,BaNaSmWO6,-7.9417241615,-2.8818892749,0.0199398849,0.0199398849,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Na-O-Sm-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Na-O-Sm-W, expected BaNa2SmWO12 to be BaNaSmWO6" +mp-1516529,BaNaSmWO6,-7.934494208,-2.8746593214,0.0271698384,0.0271698384,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Sm-W +mp-1516393,NaNdEuWO6,-8.674412298,-2.7758185957,0.1064585739,0.1064585739,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nd-O-W +mp-1522943,NaNdEuWO6,-8.586248859,-2.6876551567,0.1946220129,0.1946220129,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Na-Nd-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Na-Nd-O-W +mp-1516390,NaCaHfWO6,-8.474575559,-2.8822178889,0.1286536752,0.1286536752,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-Na-O-W +mp-683660,MnC4BrO4,-7.5617311683,-0.8200851245,0.5310934891,0.5310934891,GGA+U,P2_1/c,AB4CD4_mP80_14_2e_8e_2e_8e:Br-C-Mn-O,80.0,"Invalid WP multiplicities - AB4CD4_mP80_14_5e_29e_4e_30e:Br-C-Mn-O, expected Mn4C29(BrO6)5 to be MnC4BrO4" +mp-631350,MnC5BrO5,-7.6391623829,-0.8398444962,0.5074306733,0.5074306733,GGA+U,Pnma,AB5CD5_oP48_62_c_c2d_c_c2d:Br-C-Mn-O,48.0,"Invalid WP multiplicities - AB5CD5_oP48_62_c_3c11d_c_3c10d:Br-C-Mn-O, expected MnC25BrO23 to be MnC5BrO5" +mp-28912,MnInBr3,-4.437653639,-1.1230968366,0.004096451,0.004096451,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-In-Mn,20.0,A3BC_oP20_62_3c_c_c:Br-In-Mn +mp-683668,Mn2InC10BrO10,-7.6662110777,-0.816949216,0.5662154201,0.5662154201,GGA+U,P-1,AB10CD2E10_aP48_2_i_10i_i_2i_10i:Br-C-In-Mn-O,48.0,"Invalid WP multiplicities - AB10CD2E10_aP48_2_i_20i_i_4i_20i:Br-C-In-Mn-O, expected Mn4InC20BrO20 to be Mn2InC10BrO10" +mp-1223975,K2Nd2Ti3O10,-8.3770961447,-3.3823634434,0.0204106491,0.0204106491,GGA,Fmm2,A2B2C10D3_oF68_42_c_c_2cde_ac:K-Nd-O-Ti,17.0,A2B2C10D3_oF68_42_c_c_2cde_ac:K-Nd-O-Ti +mp-1522391,KNdTi4O12,-8.2897937256,-2.9108615599,0.1837117986,0.1837117986,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-Nd-O-Ti, expected KNdTi4O18 to be KNdTi4O12" +mp-1522437,KNdHf4O12,-9.0372061078,-3.2001190503,0.1914892011,0.1914892011,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Hf-K-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Hf-K-Nd-O, expected KNdHf4O18 to be KNdHf4O12" +mp-1211538,KNdTiO4,-8.1471239804,-3.3527249459,0.0,-0.0031923157,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:K-Nd-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:K-Nd-O-Ti +mp-1522310,KNdHf2O6,-9.092661298,-3.5453556273,0.1257568264,0.1257568264,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Hf-K-Nd-O,10.0,A2BCD6_cF40_225_c_a_b_d:Hf-K-Nd-O +mp-1516600,KNdHfTiO6,-8.780455746,-3.4393197766,0.1289412037,0.1289412037,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Ti +mp-1520199,BaNbInWO6,-8.162547676,-2.4215250552,0.1825677906,0.1825677906,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-In-Nb-O-W +mp-1224725,Fe2NiSe4,-5.75168231,-0.5082787371,0.0806408994,0.0806408994,GGA,Cm,A2BC4_mC14_8_2a_a_4a:Fe-Ni-Se,7.0,A2BC4_mC14_8_2a_a_4a:Fe-Ni-Se +mp-2650313,Fe2NiSe4,-5.7606744457,-0.5172708728000001,0.0716487637,0.0716487637,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Fe-Ni-Se,7.0,A2BC4_mC14_12_i_a_2i:Fe-Ni-Se +mp-1213486,Fe2H2Se3O10,-6.3089388235,-1.3865790556,0.0,-0.0181497859,GGA+U,P2_1/c,A2B2C10D3_mP68_14_2e_2e_10e_3e:Fe-H-O-Se,68.0,A2B2C10D3_mP68_14_2e_2e_10e_3e:Fe-H-O-Se +mp-765464,Fe2H11(SeO5)3,-5.7634691484000005,-1.2812725672,0.0470006522,0.0470006522,GGA+U,P2_1/c,A2B11C15D3_mP124_14_2e_11e_15e_3e:Fe-H-O-Se,124.0,"Invalid WP multiplicities - A2B11C15D3_mP124_14_3e_41e_53e_5e:Fe-H-O-Se, expected Fe3H41Se5O53 to be Fe2H11(SeO5)3" +mp-1225243,Fe4NiSe10,-5.6108193603,-0.6361969406,0.0105725467,0.0105725467,GGA,P2/m,A4BC10_mP30_10_cem2n_m_5m5n:Fe-Ni-Se,30.0,"Invalid WP multiplicities - A4BC10_mP30_10_ae2m3n_m_10m10n:Fe-Ni-Se, expected Fe6NiSe20 to be Fe4NiSe10" +mp-1212753,Fe2Ni3H4(Se3O10)2,-6.1320310934,-1.3388711011,0.0,-0.0012996391,GGA+U,P-1,A2B4C3D20E6_aP35_2_i_2i_ai_10i_3i:Fe-H-Ni-O-Se,35.0,A2B4C3D20E6_aP35_2_i_2i_ai_10i_3i:Fe-H-Ni-O-Se +mp-1178328,Fe2H6(SeO4)3,-6.005587708,-1.347135636,0.0121760191,0.0121760191,GGA+U,R3c,A2B6C12D3_hR138_161_2a_2b_4b_b:Fe-H-O-Se,46.0,A2B6C12D3_hR138_161_2a_2b_4b_b:Fe-H-O-Se +mp-1224875,FeNiSe4,-5.2844143833,-0.5787804166,0.0335678617,0.0335678617,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Fe-Ni-Se,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_d_4e:Fe-Ni-Se, expected FeNiSe8 to be FeNiSe4" +mp-1025359,Fe(NiSe2)2,-5.38644042,-0.5273060656,0.0603778788,0.0603778788,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Fe-Ni-Se,7.0,AB2C4_mC14_12_a_i_2i:Fe-Ni-Se +mp-8491,LiInP2O7,-7.1602940759,-2.6044729315,0.0,-0.0260166692,GGA,P2_1,ABC7D2_mP22_4_a_a_7a_2a:In-Li-O-P,22.0,ABC7D2_mP22_4_a_a_7a_2a:In-Li-O-P +mp-781789,Li4NbIn3(PO4)6,-7.3132418357,-2.6502841565,0.0056672053,0.0056672053,GGA,Pc,A3B4CD24E6_mP76_7_3a_4a_a_24a_6a:In-Li-Nb-O-P,76.0,"Invalid WP multiplicities - A3B4CD24E6_mP76_7_6a_8a_a_48a_12a:In-Li-Nb-O-P, expected Li8NbIn6(PO4)12 to be Li4NbIn3(PO4)6" +mp-2713927,Nb3In(PO4)6,-8.2131919038,-2.7938994638,0.0,-0.0086370869,GGA,P3,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:In-Nb-O-P,102.0,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:In-Nb-O-P +mp-14488,Li3In2(PO4)3,-6.9270872466,-2.5855718409,0.0025028274,0.0004210936,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:In-Li-O-P,80.0,A2B3C12D3_mP80_14_2e_3e_12e_3e:In-Li-O-P +mp-6425,Li3In2(PO4)3,-6.929590074,-2.5880746682,0.0,-0.0020817338,GGA,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:In-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_2c_f_5f_f:In-Li-O-P, expected Li3In2(PO5)3 to be Li3In2(PO4)3" +mp-1210850,Li2In(PO4)2,-6.8425067092,-2.4602263887,0.0607922173,0.0607922173,GGA,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:In-Li-O-P,26.0,AB2C8D2_mP26_14_a_e_4e_e:In-Li-O-P +mp-1348355,CaCuP2O7,-7.2743123973,-2.587200348,0.045964262,0.035007856,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cu-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cu-O-P +mp-1041636,CaCuP2O7,-7.3084245,-2.6213124507,0.0118521593,0.0008957533,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cu-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_8i_2i:Ca-Cu-O-P, expected CaCu(PO4)2 to be CaCuP2O7" +mp-14694,CaCuP2O7,-7.3202766593,-2.63316461,0.0,-0.010956406,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Cu-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ca-Cu-O-P +mp-1048098,CaCuP2O7,-7.26554217,-2.5784301207,0.0547344893,0.0437780833,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Cu-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Cu-O-P, expected CaCuP7O23 to be CaCuP2O7" +mp-1350627,Ca3Cu6(PO4)8,-6.9563134373,-2.2172828563,0.0635379326,0.0635379326,GGA,P1,A3B6C32D8_aP49_1_3a_6a_32a_8a:Ca-Cu-O-P,49.0,A3B6C32D8_aP49_1_3a_6a_32a_8a:Ca-Cu-O-P +mp-1047107,CaCu3(P2O7)2,-7.0802610348,-2.2979850405,0.0335053962,0.0335053962,GGA,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Cu-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Cu-O-P +mp-6118,Ca3Cu3(PO4)4,-7.2034495938,-2.6221169378,0.0,-0.002919374,GGA,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Ca-Cu-O-P,52.0,A3B3C16D4_mP52_14_ae_de_8e_2e:Ca-Cu-O-P +mp-1045680,CaCu(PO3)4,-7.43992767,-2.6000231638,0.0044426949,0.0044426949,GGA,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Cu-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Cu-O-P +mp-1359845,CaCu2(P2O7)2,-7.1340998929,-2.3192967879,0.0292048465,0.0292048465,GGA,P-1,AB2C14D4_aP42_2_i_2i_14i_4i:Ca-Cu-O-P,42.0,"Invalid WP multiplicities - AB2C14D4_aP42_2_i_4i_28i_8i:Ca-Cu-O-P, expected CaCu4(P2O7)4 to be CaCu2(P2O7)2" +mp-1046249,SrCaCu(PO4)2,-7.3157619273,-2.8392684883,0.0360264651,0.0360264651,GGA,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Cu-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Cu-O-P-Sr, expected SrCaCu(PO7)2 to be SrCaCu(PO4)2" +mp-1355631,CaCu3P3O13,-6.8120306087,-2.0695265759,0.0548138406,0.0548138406,GGA,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Cu-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Cu-O-P, expected CaCu5P3O34 to be CaCu3P3O13" +mp-1517896,NaNdMnWO6,-8.270510298,-2.4814152464,0.149318682,0.149318682,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Mn-Na-Nd-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Mn-Na-Nd-O-W +mp-2242288,YMgSb(PbO3)2,-6.6590934882,-2.1771681417,0.2387092059,0.2387092059,GGA,Cm,AB6C2DE_mC22_8_a_2a2b_2a_a_a:Mg-O-Pb-Sb-Y,11.0,AB6C2DE_mC22_8_a_2a2b_2a_a_a:Mg-O-Pb-Sb-Y +mp-2218064,YMgSb(PbO3)2,-6.4748624555,-1.992937109,0.4229402386,0.4229402386,GGA,C2/m,AB6C2DE_mC22_12_a_ij_i_c_b:Mg-O-Pb-Sb-Y,11.0,AB6C2DE_mC22_12_a_ij_i_c_b:Mg-O-Pb-Sb-Y +mp-1078392,YSb(PbO3)2,-7.056501574,-2.2864116979,0.0218956645,0.0218956645,GGA,C2/m,A6B2CD_mC20_12_ij_i_a_d:O-Pb-Sb-Y,10.0,A6B2CD_mC20_12_ij_i_a_d:O-Pb-Sb-Y +mp-1105409,YSb(PbO3)2,-7.0636103235,-2.2935204474,0.014786915,0.014786915,GGA,C2/c,A6B2CD_mC40_15_3f_f_c_e:O-Pb-Sb-Y,20.0,A6B2CD_mC40_15_3f_f_a_e:O-Pb-Sb-Y +mp-1097582,Y2MgPb,-2.57778381,1.9836835267,2.4061674821,2.4061674821,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Mg-Pb-Y +mp-2217664,Sr2MgZnWO6,-6.9780184691,-2.5346300087,0.1831210673,0.1831210673,GGA+U,P1,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Sr-W-Zn,11.0,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Sr-W-Zn +mp-2217351,Sr2MgZnWO6,-6.6467832818,-2.2033948214,0.5143562545,0.5143562545,GGA+U,Cm,AB6C2DE_mC22_8_a_2a2b_2a_a_a:Mg-O-Sr-W-Zn,11.0,"Invalid WP multiplicities - AB6C2DE_mC22_8_a_2a3b_2a_a_a:Mg-O-Sr-W-Zn, expected Sr2MgZnWO8 to be Sr2MgZnWO6" +mp-2217907,Sr2MgZnWO6,-6.7473045455000005,-2.3039160851,0.4138349909,0.4138349909,GGA+U,Immm,AB6C2DE_oI22_71_c_el_f_a_b:Mg-O-Sr-W-Zn,11.0,"Invalid WP multiplicities - AB6C2DE_oI22_71_c_2e2l_f_a_b:Mg-O-Sr-W-Zn, expected Sr2MgZnWO12 to be Sr2MgZnWO6" +mp-2217784,Sr2MgZnWO6,-6.7513369173,-2.3079484569,0.4098026191,0.4098026191,GGA+U,R3m,AB6C2DE_hR33_160_a_2b_2a_a_a:Mg-O-Sr-W-Zn,11.0,"Invalid WP multiplicities - AB6C2DE_hR33_160_a_5b_2a_a_a:Mg-O-Sr-W-Zn, expected Sr2MgZnWO15 to be Sr2MgZnWO6" +mp-2216801,Sr8MgZn4(WO6)4,-7.2501674576,-2.5987466745,0.1019408277,0.1019408277,GGA+U,P1,AB24C8D4E4_aP41_1_a_24a_8a_4a_4a:Mg-O-Sr-W-Zn,41.0,AB24C8D4E4_aP41_1_a_24a_8a_4a_4a:Mg-O-Sr-W-Zn +mp-2217005,Sr8MgZn4(WO6)4,-7.2564927434,-2.6050719603,0.0956155418,0.0956155418,GGA+U,P1,AB24C8D4E4_aP41_1_a_24a_8a_4a_4a:Mg-O-Sr-W-Zn,41.0,AB24C8D4E4_aP41_1_a_24a_8a_4a_4a:Mg-O-Sr-W-Zn +mp-2230665,La2MgFe2(WO6)2,-8.5594124937,-2.575788195,0.1122843789,0.1122843789,GGA+U,P1,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-W,19.0,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-W +mp-2231608,La2MgFe2(WO6)2,-8.5507844005,-2.5671601018,0.1209124721,0.1209124721,GGA+U,P1,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-W,19.0,A2B2CD12E2_aP19_1_2a_2a_a_12a_2a:Fe-La-Mg-O-W +mp-8539,SrSnP,-4.4474179033,-0.7432952983000001,0.0,-0.0310811411,GGA,P4/nmm,ABC_tP6_129_c_c_c:P-Sn-Sr,6.0,ABC_tP6_129_c_c_c:P-Sn-Sr +mp-560855,SrCrSn(PO4)3,-7.8017845886,-2.7488798756,0.0,-0.0030074486,GGA+U,R-3,AB12C3DE_hR108_148_c_4f_f_c_ab:Cr-O-P-Sn-Sr,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_148_c_18f_f_c_ab:Cr-O-P-Sn-Sr, expected SrCrSn(PO18)3 to be SrCrSn(PO4)3" +mp-1179211,SrCrP2O7,-8.0616104518,-2.8983407322,0.0,-0.0170758124,GGA+U,Pc,AB7C2D_mP44_7_2a_14a_4a_2a:Cr-O-P-Sr,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_10e_2e_e:Cr-O-P-Sr, expected SrCr(PO5)2 to be SrCrP2O7" +mp-18207,SrCrP2O7,-8.0584121198,-2.8951424002,0.003198332,-0.0138774803,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Sr,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_10e_2e_e:Cr-O-P-Sr, expected SrCr(PO5)2 to be SrCrP2O7" +mp-773109,CrSn3(PO4)6,-7.4326786932,-2.347910836,0.0658701021,0.0658701021,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cr-O-P-Sn,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cr-O-P-Sn, expected CrSn3(PO10)6 to be CrSn3(PO4)6" +mp-1046184,SrSn(PO4)2,-7.3747767917,-2.6998451240000003,0.12027231,0.1009996772,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sn-Sr,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sn-Sr, expected SrSn(PO7)2 to be SrSn(PO4)2" +mp-1348422,SrSn(PO4)2,-4.9256512521,-0.2507195844,2.5693978496,2.5501252168,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sn-Sr,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sn-Sr, expected SrSn(PO7)2 to be SrSn(PO4)2" +mp-862718,SrSn(PO4)2,-7.4950491017,-2.820117434,0.0,-0.0192726328,GGA,C2/c,A8B2CD_mC48_15_4f_f_c_e:O-P-Sn-Sr,24.0,A8B2CD_mC48_15_4f_f_a_e:O-P-Sn-Sr +mp-571291,Sr3(SnP2)2,-4.6324796829,-0.7723870055000001,0.0,-0.0140068159,GGA,Cmce,A4B2C3_oC216_64_2f5g_3g_abdf3g:P-Sn-Sr,108.0,"Invalid WP multiplicities - A4B2C3_oC216_64_7f34g_15g_2a2b4d3f20g:P-Sn-Sr, expected Sr49(Sn2P5)15 to be Sr3(SnP2)2" +mp-1046448,SrCr(PO4)2,-7.8326169617,-2.6873956594,0.0953214045,0.0953214045,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Cr-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Cr-O-P-Sr, expected SrCr(PO7)2 to be SrCr(PO4)2" +mp-18458,Sr5(SnP3)2,-4.6173508481,-0.8522411545,0.0061574565,0.0061574565,GGA,Pbam,A6B2C5_oP26_55_g2h_h_a2g:P-Sn-Sr,26.0,"Invalid WP multiplicities - A6B2C5_oP26_55_2g3h_h_a5g:P-Sn-Sr, expected Sr11(SnP5)2 to be Sr5(SnP3)2" +mp-772100,CrSn(PO4)2,-7.7849165771,-2.4463554081,0.057193662,0.057193662,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cr-O-P-Sn,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Cr-O-P-Sn +mp-776124,Fe3Cu2Te(PO4)6,-7.3545595275,-2.1336671116,0.0699171823,0.0699171823,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Fe-O-P-Te,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Fe-O-P-Te, expected Fe3Cu2Te(PO11)6 to be Fe3Cu2Te(PO4)6" +mp-559244,Sr2MnP3O11,-7.8567089407,-2.9629156735,0.0,-0.0054983609,GGA+U,P2_1/c,AB11C3D2_mP68_14_e_11e_3e_2e:Mn-O-P-Sr,68.0,"Invalid WP multiplicities - AB11C3D2_mP68_14_e_41e_9e_7e:Mn-O-P-Sr, expected Sr7MnP9O41 to be Sr2MnP3O11" +mp-541990,SrMn2(PO4)2,-8.2348628617,-2.8184291124,0.0,-0.0129412692,GGA+U,P-1,A2B8C2D_aP52_2_4i_16i_4i_2i:Mn-O-P-Sr,52.0,A2B8C2D_aP52_2_4i_16i_4i_2i:Mn-O-P-Sr +mp-8810,SrZn2(PO4)2,-6.9296223137,-2.7289226693,0.0,-0.0341171261,GGA,P2_1/c,A8B2CD2_mP52_14_8e_2e_e_2e:O-P-Sr-Zn,52.0,A8B2CD2_mP52_14_8e_2e_e_2e:O-P-Sr-Zn +mp-1201132,SrMn3(PO4)3,-8.2366799679,-2.7221688424,0.0,-0.0146046758,GGA+U,Imma,A3B12C3D_oI76_74_ag_hi2j_eg_e:Mn-O-P-Sr,38.0,A3B12C3D_oI76_74_ag_hi2j_eg_e:Mn-O-P-Sr +mp-1208769,SrMnP2O7,-8.0392463493,-2.9206159186,0.0,-0.0102698365,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Sr,44.0,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Sr +mp-1046402,SrMnZn(PO4)2,-7.5542207469,-2.7456540501,0.0280218408,0.0280218408,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mn-O-P-Sr-Zn,52.0,AB8C2DE_aP26_2_i_8i_2i_i_i:Mn-O-P-Sr-Zn +mp-1366914,SrMnZn(PO4)2,-4.2988055358,0.5097611611,3.2834370519,3.2834370519,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mn-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Mn-O-P-Sr-Zn, expected SrMnZn(PO7)2 to be SrMnZn(PO4)2" +mp-1046462,SrMn(PO4)2,-7.7453848738,-2.6410829197,0.0684604214,0.0684604214,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Mn-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Mn-O-P-Sr, expected SrMn(PO7)2 to be SrMn(PO4)2" +mp-558616,SrZnP2O7,-7.2475027582,-2.8472606622,0.0,-0.0095410474,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Sr-Zn,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_26e_3e_e_e:O-P-Sr-Zn, expected SrZnP3O26 to be SrZnP2O7" +mp-758125,LiCo2C2O7,-7.4150396628,-1.6475637944,0.0980842026,0.0980842026,GGA+U,C2,A2B2CD7_mC72_5_3c_3c_ac_a10c:C-Co-Li-O,36.0,"Invalid WP multiplicities - A2B2CD7_mC72_5_6c_5c_a2c_a20c:C-Co-Li-O, expected Li5Co10C12O41 to be LiCo2C2O7" +mp-758625,LiCo2C2O7,-7.4576217337,-1.6901458654,0.0555021316,0.0555021316,GGA+U,Cc,A2B2CD7_mC48_9_2a_2a_a_7a:C-Co-Li-O,24.0,"Invalid WP multiplicities - A2B2CD7_mC48_9_3a_4a_a_11a:C-Co-Li-O, expected LiCo4C3O11 to be LiCo2C2O7" +mp-758150,LiCo2C2O7,-7.4543891902,-1.6869133218,0.0587346752,0.0587346752,GGA+U,P2_1/c,A2B2CD7_mP48_14_2e_2e_e_7e:C-Co-Li-O,48.0,"Invalid WP multiplicities - A2B2CD7_mP48_14_7e_3e_e_25e:C-Co-Li-O, expected LiCo3C7O25 to be LiCo2C2O7" +mp-752864,Li3Co2(CO3)4,-7.3817296324,-1.8475234088,0.0454028383,0.0454028383,GGA+U,P1,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O,21.0,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O +mp-753812,Li3Co2(CO3)4,-7.3877551443,-1.8535489207,0.0393773264,0.0393773264,GGA+U,P1,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O,21.0,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O +mp-753166,Li3Co2(CO3)4,-7.3649401562,-1.8307339326,0.0621923145,0.0621923145,GGA+U,P1,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O,21.0,A4B2C3D12_aP21_1_4a_2a_3a_12a:C-Co-Li-O +mp-1640104,Li3Co2(CO3)4,-7.3904406767,-1.8562344531,0.036691794,0.036691794,GGA+U,P1,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O,42.0,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O +mp-1641018,Li3Co2(CO3)4,-7.3898159771,-1.8556097536,0.0373164936,0.0373164936,GGA+U,P1,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O,42.0,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O +mp-1638962,Li3Co2(CO3)4,-7.3904235462,-1.8562173226,0.0367089245,0.0367089245,GGA+U,P1,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O,42.0,A4B2C3D12_aP42_1_8a_4a_6a_24a:C-Co-Li-O +mp-759412,Li3Co2(CO3)4,-7.3059571114,-1.7717508879,0.1211753593,0.1211753593,GGA+U,P2_1,A4B2C3D12_mP42_4_4a_2a_3a_12a:C-Co-Li-O,42.0,"Invalid WP multiplicities - A4B2C3D12_mP42_4_6a_2a_6a_22a:C-Co-Li-O, expected Li3CoC3O11 to be Li3Co2(CO3)4" +mp-753292,LiCo2(CO3)4,-7.4998549616,-1.5840399636,0.0920001918,0.0920001918,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:C-Co-Li-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:C-Co-Li-O +mp-758717,LiCo2(CO3)4,-7.4612662353,-1.5454512373,0.1305889181,0.1305889181,GGA+U,P2_1,A4B2CD12_mP38_4_4a_2a_a_12a:C-Co-Li-O,38.0,"Invalid WP multiplicities - A4B2CD12_mP38_4_6a_2a_a_22a:C-Co-Li-O, expected LiCo2(C3O11)2 to be LiCo2(CO3)4" +mp-767053,Li2Co(CO3)2,-7.3119717693,-1.9425511529,0.044030452,0.044030452,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:C-Co-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP22_1_4a_4a_4a_12a:C-Co-Li-O, expected LiCoCO3 to be Li2Co(CO3)2" +mp-767071,Li2Co(CO3)2,-7.2813656584,-1.911945042,0.074636563,0.074636563,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:C-Co-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP22_1_4a_4a_4a_12a:C-Co-Li-O, expected LiCoCO3 to be Li2Co(CO3)2" +mp-753286,Li2Co(CO3)2,-7.2821096559,-1.9126890395,0.0738925655,0.0738925655,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Co-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_9b:C-Co-Li-O, expected Li2Co(CO9)2 to be Li2Co(CO3)2" +mp-1567457,Li2Co(CO3)2,-7.3114003511,-1.9419797347,0.0446018702,0.0446018702,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:C-Co-Li-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:C-Co-Li-O +mp-759898,Li2Co(CO3)2,-7.2562463305,-1.886825714,0.0997558909,0.0997558909,GGA+U,P2_1,A2BC2D6_mP44_4_4a_2a_4a_12a:C-Co-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_4_4a_2a_7a_20a:C-Co-Li-O, expected Li7Co2(CO5)4 to be Li2Co(CO3)2" +mp-759685,Li2Co(CO3)2,-7.2922642625,-1.9228436461,0.0637379589,0.0637379589,GGA+U,P2_1,A2BC2D6_mP44_4_4a_2a_4a_12a:C-Co-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_4_4a_2a_6a_20a:C-Co-Li-O, expected Li3Co(CO5)2 to be Li2Co(CO3)2" +mp-767036,Li2Co(CO3)2,-7.3081063711,-1.9386857547,0.0478958502,0.0478958502,GGA+U,Pc,A2BC2D6_mP22_7_2a_a_2a_6a:C-Co-Li-O,44.0,A2BC2D6_mP22_7_2a_a_2a_6a:C-Co-Li-O +mp-1638967,Li2Co(CO3)2,-7.3042928852,-1.9348722688,0.0517093361,0.0517093361,GGA+U,Pc,A2BC2D6_mP22_7_2a_a_2a_6a:C-Co-Li-O,44.0,A2BC2D6_mP22_7_2a_a_2a_6a:C-Co-Li-O +mp-1567455,Li2Co(CO3)2,-7.3067642355,-1.937343619,0.0492379859,0.0492379859,GGA+U,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:C-Co-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_9_4a_a_4a_12a:C-Co-Li-O, expected Li4Co(CO3)4 to be Li2Co(CO3)2" +mp-759781,Li2Co(CO3)2,-7.3163704209,-1.9469498045,0.0396318005,0.0396318005,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:C-Co-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_3e_e_7e_21e:C-Co-Li-O, expected Li7Co(CO7)3 to be Li2Co(CO3)2" +mp-1178046,Li2Co(CO3)2,-7.3302253875,-1.9608047711,0.0257768339,0.0257768339,GGA+U,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:C-Co-Li-O,44.0,A2BC2D6_mP22_14_e_a_e_3e:C-Co-Li-O +mp-753950,Li2Co(CO3)2,-7.3332753486,-1.9638547322,0.0227268727,0.0227268727,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Co-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_10b:C-Co-Li-O, expected Li2Co(CO10)2 to be Li2Co(CO3)2" +mp-651279,Co4Si(CO)14,-7.8105935553,-0.7707890686000001,0.5396082999999999,0.5396082999999999,GGA+U,C2/c,A14B4C14D_mC132_15_7f_2f_7f_e:C-Co-O-Si,66.0,"Invalid WP multiplicities - A14B4C14D_mC132_15_27f_6f_25f_e:C-Co-O-Si, expected Co12Si(C27O25)2 to be Co4Si(CO)14" +mp-757756,Li2Co2C2O7,-7.2659958717,-1.7953317727,0.0833167785,0.0833167785,GGA+U,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:C-Co-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_7e_3e_3e_27e:C-Co-Li-O, expected Li3Co3C7O27 to be Li2Co2C2O7" +mp-757737,Li2Co2(CO3)3,-7.4377159516,-1.7976736889,0.0905858034,0.0905858034,GGA+U,P1,A3B2C2D9_aP32_1_6a_4a_4a_18a:C-Co-Li-O,32.0,A3B2C2D9_aP32_1_6a_4a_4a_18a:C-Co-Li-O +mp-18939,LiCo(CO)4,-7.531259046,-0.9593932983,0.4118850585,0.4118850585,GGA+U,P-43m,A4BCD4_cP10_215_e_a_b_e:C-Co-Li-O,10.0,A4BCD4_cP10_215_e_a_b_e:C-Co-Li-O +mp-757952,LiCo2(CO3)3,-7.5499097753,-1.6611262196,0.0894609643,0.0894609643,GGA+U,P1,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Co-Li-O,30.0,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Co-Li-O +mp-770659,Li3CoSiCO7,-7.0048143808,-2.2266689272,0.10464048,0.10464048,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Co-Li-O-Si, expected Li4CoSiCO13 to be Li3CoSiCO7" +mp-758392,LiCoCO4,-7.1294756796,-1.696238394,0.102050426,0.102050426,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Co-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_11e:C-Co-Li-O, expected LiCoCO11 to be LiCoCO4" +mp-758146,LiCoCO4,-7.1536393961,-1.7204021105,0.0778867096,0.0778867096,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Co-Li-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:C-Co-Li-O, expected LiCoCO13 to be LiCoCO4" +mp-758648,LiCoCO4,-7.1286635807,-1.6954262951,0.1028625249,0.1028625249,GGA+U,Ccc2,ABCD4_oC56_37_d_d_d_4d:C-Co-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oC56_37_d_d_d_13d:C-Co-Li-O, expected LiCoCO13 to be LiCoCO4" +mp-1303460,LiCo(CO3)2,-7.4547917745,-1.7393213831,0.0505839705,0.0505839705,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1303576,LiCo(CO3)2,-7.462657428,-1.7471870366000002,0.042718317,0.042718317,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1638589,LiCo(CO3)2,-7.4484941948,-1.7330238033,0.0568815502,0.0568815502,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1647692,LiCo(CO3)2,-7.4344848115,-1.7190144201000002,0.0708909335,0.0708909335,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1638998,LiCo(CO3)2,-7.431955606,-1.7164852146,0.073420139,0.073420139,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1639828,LiCo(CO3)2,-7.4336045252,-1.7181341338,0.0717712197,0.0717712197,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1984516,LiCo(CO3)2,-7.4256083227,-1.7101379313,0.0797674222,0.0797674222,GGA+U,P1,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1273900,LiCo(CO3)2,-7.465668162,-1.7501977706,0.039707583,0.039707583,GGA+U,P-1,A2BCD6_aP40_2_4i_2i_bci_12i:C-Co-Li-O,40.0,A2BCD6_aP40_1_8a_4a_4a_24a:C-Co-Li-O +mp-1279659,LiCo(CO3)2,-7.4773602335,-1.7618898421,0.0280155115,0.0280155115,GGA+U,P-1,A2BCD6_aP40_2_4i_bci_dhi_12i:C-Co-Li-O,40.0,"Invalid WP multiplicities - A2BCD6_aP10_2_i_b_e_5i:C-Co-Li-O, expected LiCo(CO5)2 to be LiCo(CO3)2" +mp-753259,LiCo(CO3)2,-7.469870766,-1.7544003746,0.035504979,0.035504979,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Co-Li-O,40.0,A2BCD6_mP20_4_2a_a_a_6a:C-Co-Li-O +mp-762401,LiCo(CO3)2,-7.3581302925,-1.6426599011,0.1472454525,0.1472454525,GGA+U,Cc,A2BCD6_mC40_9_2a_a_a_6a:C-Co-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_9_4a_a_a_12a:C-Co-Li-O, expected LiCo(CO3)4 to be LiCo(CO3)2" +mp-753284,LiCo(CO3)2,-7.444638986,-1.7291685946,0.060736759,0.060736759,GGA+U,Cc,A2BCD6_mC40_9_2a_a_a_6a:C-Co-Li-O,40.0,A2BCD6_mC40_9_2a_a_a_6a:C-Co-Li-O +mp-753487,LiCo(CO3)2,-7.419089906,-1.7036195146000002,0.086285839,0.086285839,GGA+U,C2/m,A2BCD6_mC20_12_i_a_c_ij:C-Co-Li-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_i2j:C-Co-Li-O, expected LiCo(CO5)2 to be LiCo(CO3)2" +mp-758124,LiCo(CO3)2,-7.4312438243,-1.7157734328,0.0741319207,0.0741319207,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:C-Co-Li-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_3e_e_e_21e:C-Co-Li-O, expected LiCo(CO7)3 to be LiCo(CO3)2" +mp-753103,LiCo(CO3)2,-7.4853393975,-1.7698690061,0.0200363475,0.0200363475,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Co-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_aP10_2_i_b_e_5i:C-Co-Li-O, expected LiCo(CO5)2 to be LiCo(CO3)2" +mp-1282711,LiCo(CO3)2,-7.4783647578,-1.7628943663,0.0270109872,0.0270109872,GGA+U,R-3,A2BCD6_hR120_148_4c_abc_2c_4f:C-Co-Li-O,40.0,A2BCD6_hR30_148_c_a_b_f:C-Co-Li-O +mp-757730,Li2CoCO4,-6.9121059666,-1.9194079833,0.0884266344,0.0884266344,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:C-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:C-Co-Li-O, expected Li3CoCO11 to be Li2CoCO4" +mp-561514,NaSrB5O9,-8.0087301811,-2.950656681,0.0,-0.0136616621,GGA,P2_1/c,A5BC9D_mP64_14_5e_e_9e_e:B-Na-O-Sr,64.0,"Invalid WP multiplicities - A5BC9D_mP64_14_16e_e_35e_e:B-Na-O-Sr, expected NaSrB16O35 to be NaSrB5O9" +mp-15939,SrAl2B2O7,-8.0282525008,-3.2643983647,0.0009614279,-0.0045928573,GGA,R32,A2B2C7D_hR36_155_c_c_af_b:Al-B-O-Sr,12.0,"Invalid WP multiplicities - A2B2C7D_hR36_155_c_c_a2f_b:Al-B-O-Sr, expected SrAl2B2O13 to be SrAl2B2O7" +mp-558669,SrAl2B2O7,-8.0292139287,-3.2653597926,0.0,-0.0055542852,GGA,R-3c,A2B2C7D_hR72_167_c_c_af_b:Al-B-O-Sr,24.0,"Invalid WP multiplicities - A2B2C7D_hR72_167_c_c_2a2f_b:Al-B-O-Sr, expected SrAl2(BO7)2 to be SrAl2B2O7" +mp-6775,Na3Sr(BO2)5,-7.4691112584,-2.8101157163,0.0,-0.0080885291,GGA,P-1,A5B3C10D_aP38_2_5i_3i_10i_i:B-Na-O-Sr,38.0,"Invalid WP multiplicities - A5B3C10D_aP38_2_5i_3i_13i_i:B-Na-O-Sr, expected Na3SrB5O13 to be Na3Sr(BO2)5" +mp-1221313,Na2SrAl4(B2O7)2,-7.6889280172,-3.0774057612,0.0241035018,0.0241035018,GGA,P3,A4B4C2D14E_hP25_143_2a2b_2a2b_2c_ab4d_c:Al-B-Na-O-Sr,25.0,A4B4C2D14E_hP25_143_2a2b_2a2b_2c_ab4d_c:Al-B-Na-O-Sr +mp-560768,NaSr4(BO3)3,-7.3773716884,-3.1044968166,0.0145129401,0.0145129401,GGA,Ia-3d,A3BC9D4_cI272_230_g_b_gh_af:B-Na-O-Sr,136.0,"Invalid WP multiplicities - A3BC9D4_cI272_230_g_b_16g15h_6a6f:B-Na-O-Sr, expected NaSr24(BO46)3 to be NaSr4(BO3)3" +mp-556695,NaSrBO3,-6.9742994492,-2.8857200073,0.0,-0.0200476603,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:B-Na-O-Sr,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_7e_e:B-Na-O-Sr, expected NaSrBO7 to be NaSrBO3" +mp-21563,SrAlBO4,-7.7863953912,-3.2290788342,0.0692354227,0.0692354227,GGA,Pccn,ABC4D_oP56_56_e_e_4e_e:Al-B-O-Sr,56.0,ABC4D_oP56_56_e_e_4e_e:Al-B-O-Sr +mp-1364623,CaMn2P2O9,-8.0789400564,-2.6734804937,0.0,-0.0005383627,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Mn-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Ca-Mn-O-P, expected CaMn2P2O11 to be CaMn2P2O9" +mp-1204296,BaMn3(PO4)3,-8.2476352234,-2.7210461249,0.0,-0.0149574093,GGA+U,Imma,AB3C12D3_oI76_74_e_ag_hi2j_eg:Ba-Mn-O-P,38.0,AB3C12D3_oI76_74_e_ag_hi2j_eg:Ba-Mn-O-P +mp-1044192,CaMn2(PO5)2,-7.8167805203,-2.441905681,0.075414915,0.075414915,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Mn-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Mn-O-P, expected CaMn2(PO18)2 to be CaMn2(PO5)2" +mp-1019543,BaCaP2O7,-7.7060613502,-3.2171521855,0.0023052824,0.0023052824,GGA,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Ba-Ca-O-P,88.0,ABC7D2_mP88_14_2e_2e_14e_4e:Ba-Ca-O-P +mp-556122,BaCa(PO3)4,-7.7123291996,-2.9935486784,0.0,-0.0160329888,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ba-Ca-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_15e:Ba-Ca-O-P, expected BaCaP15O46 to be BaCa(PO3)4" +mp-726803,BaMn2P2O9,-8.0569621579,-2.6576900908,0.0248547099,0.0248547099,GGA+U,C2,AB2C9D2_mC28_5_a_c_b4c_c:Ba-Mn-O-P,14.0,AB2C9D2_mC28_5_a_c_b4c_c:Ba-Mn-O-P +mp-19857,Ba(MnP)2,-6.975920726,-0.7619986185000001,0.0,-0.0526811639,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Mn-P,5.0,AB2C2_tI10_139_a_d_e:Ba-Mn-P +mp-19194,BaMnP2O7,-8.0488049732,-2.9093125892,0.0087548232,-0.0057464105,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Mn-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ba-Mn-O-P +mp-18703,BaMnP2O7,-8.0575597964,-2.9180674123,0.0,-0.0145012336,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ba-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_10e_2e:Ba-Mn-O-P, expected BaMn(PO5)2 to be BaMnP2O7" +mp-19487,Ba2Mn(PO4)2,-7.9430294354,-3.0661002142,0.0,-0.0198666051,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Ba-Mn-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_2e_e_11e_2e:Ba-Mn-O-P, expected Ba2MnP2O11 to be Ba2Mn(PO4)2" +mp-780609,Ca9Mn(PO4)7,-7.71847577,-3.1937465328,0.0190032656,0.0190032656,GGA+U,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Mn-O-P,90.0,"Invalid WP multiplicities - A9BC28D7_hR270_161_16b_a_a50b_a9b:Ca-Mn-O-P, expected Ca48MnP28O151 to be Ca9Mn(PO4)7" +mp-734398,Ca9Mn(PO4)7,-7.7273789984,-3.2026497613,0.0101000371,0.0101000371,GGA+U,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Mn-O-P,90.0,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Mn-O-P +mp-18743,CaMnP2O7,-8.049962275,-2.9025948964,0.0,-0.003886041,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Mn-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Mn-O-P +mp-1042006,CaMnP2O7,-8.0372462877,-2.8898789092,0.0127159873,0.0088299463,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Mn-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Mn-O-P +mp-1048389,CaMnP2O7,-8.0286343166,-2.881266938,0.0213279584,0.0174419174,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Mn-O-P, expected CaMnP7O23 to be CaMnP2O7" +mp-1047886,CaMn3P3O13,-8.1081938672,-2.6062685411,0.0,-0.0018585088,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Mn-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Mn-O-P, expected CaMn5P3O34 to be CaMn3P3O13" +mp-1048915,CaMn2(PO4)2,-8.2322086925,-2.7914590642,0.0159484293,0.0159484293,GGA+U,Cc,AB2C8D2_mC104_9_2a_4a_16a_4a:Ca-Mn-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_9_4a_6a_30a_7a:Ca-Mn-O-P, expected Ca4Mn6P7O30 to be CaMn2(PO4)2" +mp-1203389,Ba2Ca(PO4)4,-7.1754780228,-2.5387919721000003,0.1734987031,0.1734987031,GGA,P2_1/c,A2BC16D4_mP46_14_e_a_8e_2e:Ba-Ca-O-P,46.0,A2BC16D4_mP46_14_e_a_8e_2e:Ba-Ca-O-P +mp-1346226,CaMn2(P2O7)2,-7.9506423562,-2.6536670015,0.0167187484,0.0167187484,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P,42.0,"Invalid WP multiplicities - AB2C14D4_aP21_1_a_4a_14a_4a:Ca-Mn-O-P, expected CaMn4(P2O7)2 to be CaMn2(P2O7)2" +mp-1233434,CaMn2(P2O7)2,-7.9325038995,-2.6355285448,0.0348572051,0.0348572051,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P +mp-1233565,CaMn2(P2O7)2,-7.8982691105,-2.6012937558,0.0690919941,0.0690919941,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P +mp-1233932,CaMn2(P2O7)2,-7.9484522805,-2.6514769258,0.0189088241,0.0189088241,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Mn-O-P +mp-1045779,CaMn(PO3)4,-7.9134006719,-2.7922290201,0.0,-0.0075246694,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Mn-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Mn-O-P +mp-6953,Ca(MnP)2,-6.915090312,-0.6838432165,0.0606709443,0.0606709443,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ca-Mn-P,5.0,AB2C2_hP5_164_a_d_d:Ca-Mn-P +mp-1233081,Ba2CaMn2(P2O7)2,-7.7401573474,-2.7369211592,0.228839141,0.228839141,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Ca-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Ca-Mn-O-P +mp-532160,Ca14MnP11,-4.7765179947,-1.053951026,0.0,-0.131239076,GGA,Iba2,A14BC11_oI208_45_ab13c_c_11c:Ca-Mn-P,104.0,"Invalid WP multiplicities - A14BC11_oI208_45_2a2b52c_c_42c:Ca-Mn-P, expected Ca54MnP42 to be Ca14MnP11" +mp-1044590,CaMn3(P2O7)2,-8.2095923057,-2.7369333175,0.0057729139,0.0057729139,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Mn-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Mn-O-P +mp-726714,Ca2Mn(PO5)2,-7.4519161533,-2.5541356748,0.1645733918,0.1645733918,GGA+U,P-1,A2BC10D2_aP15_2_i_a_5i_i:Ca-Mn-O-P,15.0,A2BC10D2_aP15_2_i_a_5i_i:Ca-Mn-O-P +mp-1043819,TiZnCu(PO4)3,-7.3761996869,-2.439832223,0.0659962775,0.0659962775,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Cu-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Cu-O-P-Ti-Zn, expected TiZnCu(PO18)3 to be TiZnCu(PO4)3" +mp-1049243,ZnCu2P2O9,-6.4504976218,-1.8215718815,0.0982940858,0.0982940858,GGA,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Cu-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Cu-O-P-Zn, expected ZnCu2P2O11 to be ZnCu2P2O9" +mp-1207907,ZnCu2PO9,-5.4399858915,-0.8713968255000001,0.4797632999,0.4797632999,GGA,P2_1/c,A2B9CD_mP52_14_2e_9e_e_e:Cu-O-P-Zn,52.0,A2B9CD_mP52_14_2e_9e_e_e:Cu-O-P-Zn +mp-1359749,ZnCu(PO3)4,-7.1383386381,-2.3398705913,0.0217710275,0.0217710275,GGA,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Cu-O-P-Zn,36.0,AB12C4D_mC72_15_c_6f_2f_e:Cu-O-P-Zn +mp-1378836,ZnCuP2O7,-6.8244110177,-2.2051040839,0.0268090951,0.0268090951,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Cu-O-P-Zn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Cu-O-P-Zn +mp-1041698,ZnCuP2O7,-6.8266721073,-2.2073651734,0.0245480055,0.0245480055,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Cu-O-P-Zn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Cu-O-P-Zn, expected ZnCu(PO4)2 to be ZnCuP2O7" +mp-1215559,ZnCuP2O7,-6.8216887855,-2.2023818516,0.0295313273,0.0295313273,GGA,C2,AB7C2D_mC22_5_a_b3c_c_a:Cu-O-P-Zn,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_b4c_c_a:Cu-O-P-Zn, expected ZnCuP2O9 to be ZnCuP2O7" +mp-1044602,ZnCuP2O7,-6.8258610307000005,-2.2065540969,0.0253590821,0.0253590821,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Cu-O-P-Zn, expected ZnCuP7O23 to be ZnCuP2O7" +mp-1047150,ZnCu3(P2O7)2,-6.8276259661,-2.0792525296,0.0516121916,0.0516121916,GGA,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Cu-O-P-Zn,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Cu-O-P-Zn +mp-1044696,ZnCu2(PO4)2,-6.5904266285,-1.9859441936,0.050776249,0.050776249,GGA,C2/c,A2B8C2D_mC104_15_cef_8f_2f_f:Cu-O-P-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_2ce2f_30f_6f_f:Cu-O-P-Zn, expected Zn2Cu7(PO5)12 to be ZnCu2(PO4)2" +mp-1196376,ZnCu2PO8,-5.7652966148,-1.2282158526,0.23554095,0.23554095,GGA,P2_1/c,A2B8CD_mP48_14_2e_8e_e_e:Cu-O-P-Zn,48.0,A2B8CD_mP48_14_2e_8e_e_e:Cu-O-P-Zn +mp-1041176,ZnCu3P3O13,-6.5109706928,-1.8057594734,0.1022431889,0.1022431889,GGA,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Cu-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Cu-O-P-Zn, expected ZnCu5P3O34 to be ZnCu3P3O13" +mp-1202588,ZnCu5P2O15,-5.9755505824,-1.3328239458,0.108083907,0.108083907,GGA,P2_1/c,A5B15C2D_mP92_14_5e_15e_2e_e:Cu-O-P-Zn,92.0,A5B15C2D_mP92_14_5e_15e_2e_e:Cu-O-P-Zn +mp-1216661,TiZnCu2,-4.415854485,-0.0774422433,0.089204525,0.0519101312,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Cu-Ti-Zn,4.0,A2BC_tP4_123_h_a_b:Cu-Ti-Zn +mp-865930,TiZnCu2,-4.50505901,-0.1666467683,0.0,-0.0372943938,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Cu-Ti-Zn +mp-1040901,Ti2Zn(CuO4)2,-7.0747720702,-2.0884143261,0.1367884137,0.1367884137,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-Ti-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-Ti-Zn, expected Ti5Zn(Cu3O13)2 to be Ti2Zn(CuO4)2" +mp-1042621,Ti4Zn(CuO4)3,-7.655916054,-2.4309362429,0.1340144637,0.1340144637,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ti-Zn,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ti-Zn +mp-1194491,Zn3CuP2O9,-6.3281241747,-2.1131081137,0.0703662333,0.0703662333,GGA,C2/m,AB9C2D3_mC60_12_g_h4i2j_2i_ij:Cu-O-P-Zn,30.0,AB9C2D3_mC60_12_g_h4i2j_2i_ij:Cu-O-P-Zn +mp-1044288,MgTiMo(PO4)3,-8.1476848678,-2.8175962994,0.0035484161,0.0035484161,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Mg-Mo-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Mg-Mo-O-P-Ti, expected MgTiMo(PO18)3 to be MgTiMo(PO4)3" +mp-1216678,TiMoP2,-8.24564393,-0.853707145,0.0650560594,0.0650560594,GGA,P-3m1,AB2C_hP4_164_a_d_b:Mo-P-Ti,4.0,AB2C_hP4_164_a_d_b:Mo-P-Ti +mp-1044323,TiMo(PO4)3,-8.2639236171,-2.7144345475,0.0,-0.001239086,GGA+U,R3c,AB12C3D_hR102_161_a_4b_b_a:Mo-O-P-Ti,34.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_18b_b_a:Mo-O-P-Ti, expected TiMo(PO18)3 to be TiMo(PO4)3" +mp-754886,MnSb3(PO4)4,-7.3945172608,-2.2966319101,0.0972602083,0.0972602083,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-Sb,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-Sb +mp-775275,Mn3Sb(PO4)6,-7.6077745271,-2.2308512557,0.0681122422,0.0681122422,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Mn-O-P-Sb,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Mn-O-P-Sb, expected Mn3Sb(PO10)6 to be Mn3Sb(PO4)6" +mp-776832,Mn7Sb(PO4)12,-7.6756561519,-2.224717968,0.0573538343,0.0573538343,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Sb,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Sb +mp-772211,Mn5Sb(PO4)6,-7.9965991542,-2.4093929928,0.0409783948,0.0409783948,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Mn-O-P-Sb,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Mn-O-P-Sb, expected Mn5Sb(PO10)6 to be Mn5Sb(PO4)6" +mp-756463,Mn3Sb(PO4)4,-7.9001311779,-2.3828279895,0.0711062805,0.0711062805,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Sb +mp-1639944,Mn3Sb(PO4)4,-7.9180484206,-2.4007452322,0.0531890378,0.0531890378,GGA+U,Cm,A3B16C4D_mC96_8_2a2b_8a12b_4a2b_2a:Mn-O-P-Sb,48.0,"Invalid WP multiplicities - A3B16C4D_mC96_8_2a2b_8a18b_4a2b_2a:Mn-O-P-Sb, expected Mn3Sb(P2O11)2 to be Mn3Sb(PO4)4" +mp-1648760,Mn3Sb(PO4)4,-7.9181544181,-2.4008512297,0.0530830403,0.0530830403,GGA+U,Cm,A3B16C4D_mC96_8_2a2b_8a12b_4a2b_2a:Mn-O-P-Sb,48.0,"Invalid WP multiplicities - A3B16C4D_mC96_8_2a2b_8a18b_4a2b_2a:Mn-O-P-Sb, expected Mn3Sb(P2O11)2 to be Mn3Sb(PO4)4" +mp-774636,MnSb3(PO4)6,-7.4250944065,-2.3442307852,0.0122277077,0.0122277077,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Mn-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Mn-O-P-Sb, expected MnSb3(PO10)6 to be MnSb3(PO4)6" +mp-694940,MnAl2Sb2(PO4)6,-7.6647849944,-2.6330274647,0.0082870214,0.0082870214,GGA+U,P2_1/c,A2BC24D6E2_mP70_14_e_a_12e_3e_e:Al-Mn-O-P-Sb,70.0,"Invalid WP multiplicities - A2BC24D6E2_mP70_14_e_a_45e_9e_e:Al-Mn-O-P-Sb, expected MnAl2Sb2(PO5)18 to be MnAl2Sb2(PO4)6" +mp-1221856,MnAl2Sb2(PO4)6,-7.6685922671,-2.6368347374,0.0044797487,0.0044797487,GGA+U,R-3,A2BC24D6E2_hR105_148_c_a_4f_f_c:Al-Mn-O-P-Sb,35.0,"Invalid WP multiplicities - A2BC24D6E2_hR105_148_c_a_8f_f_c:Al-Mn-O-P-Sb, expected MnAl2Sb2(PO8)6 to be MnAl2Sb2(PO4)6" +mp-542038,Er3Si3O10F,-8.5162061181,-3.7304722004,0.0059136182,0.0059136182,GGA,P2_1/c,A3BC10D3_mP68_14_3e_e_10e_3e:Er-F-O-Si,68.0,A3BC10D3_mP68_14_3e_e_10e_3e:Er-F-O-Si +mp-1192584,Na5Er4Si4O16F,-7.585665339,-3.3308895998,0.0,-0.0083884607,GGA,I-4,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Er-F-Na-O-Si,30.0,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Er-F-Na-O-Si +mp-554009,Er4Si3O11F2,-8.4578853787,-3.8187172243,0.0066646837,0.0066646837,GGA,P-1,A4B2C11D3_aP40_2_4i_2i_11i_3i:Er-F-O-Si,40.0,"Invalid WP multiplicities - A4B2C11D3_aP40_2_7i_4i_21i_5i:Er-F-O-Si, expected Er7Si5O21F4 to be Er4Si3O11F2" +mp-757199,Li4MnNb2WO12,-7.9700734435,-2.5041378633,0.0469730731,0.0469730731,GGA+U,P1,A4BC2D12E_aP20_1_4a_a_2a_12a_a:Li-Mn-Nb-O-W,20.0,A4BC2D12E_aP20_1_4a_a_2a_12a_a:Li-Mn-Nb-O-W +mp-756577,Li4MnNb(WO6)2,-8.0136237505,-2.4048469108,0.0285064322,0.0285064322,GGA+U,P1,A4BCD12E2_aP20_1_4a_a_a_12a_2a:Li-Mn-Nb-O-W,40.0,"Invalid WP multiplicities - A4BCD12E2_aP20_1_4a_a_a_12a_3a:Li-Mn-Nb-O-W, expected Li4MnNb(WO4)3 to be Li4MnNb(WO6)2" +mp-6015,LiSiNO,-7.2759139869,-2.1215578536,0.0,-0.0173501048,GGA,Pca2_1,ABCD_oP16_29_a_a_a_a:Li-N-O-Si,16.0,ABCD_oP16_29_a_a_a_a:Li-N-O-Si +mp-1222517,LiLa5Si4N10O,-8.1998748871,-1.6950240075,0.0,-0.006593675,GGA,P1,A5BC10DE4_aP21_1_5a_a_10a_a_4a:La-Li-N-O-Si,21.0,A5BC10DE4_aP21_1_5a_a_10a_a_4a:La-Li-N-O-Si +mp-1223370,La8Si5N14O,-8.4210115357,-1.6970020839000002,0.0,-0.0075009343,GGA,P-1,A8B14CD5_aP56_2_8i_be13i_i_5i:La-N-O-Si,56.0,A8B14CD5_aP56_2_8i_be13i_i_5i:La-N-O-Si +mp-1211252,Li2La(NO3)5,-6.869900395,-1.4509152588,0.0,-0.0088047403,GGA,Pnnm,AB2C5D15_oP92_58_ac_h_e2gh_e4g5h:La-Li-N-O,92.0,AB2C5D15_oP92_58_ac_h_e2gh_e4g5h:La-Li-N-O +mp-18559,LaSiNO2,-7.6193319187,-1.9010924222,1.0459500794,1.0459500794,GGA,P6_3/mcm,ABC2D_hP30_193_bd_g_k_g:La-N-O-Si,30.0,ABC2D_hP30_193_bd_g_k_g:La-N-O-Si +mp-1104121,Li2La2Si3,-4.8792672257,-0.5984366495,0.0,-0.0791104711,GGA,Cmcm,A2B2C3_oC28_63_2c_f_cf:La-Li-Si,14.0,A2B2C3_oC28_63_2c_f_cf:La-Li-Si +mp-1223119,La3SiN3O2,-8.4903735633,-2.3641289475,0.0502008654,0.0502008654,GGA,Fmm2,A3B3C2D_oF72_42_2abd_ce_cd_c:La-N-O-Si,18.0,"Invalid WP multiplicities - A3B3C2D_oF72_42_2abd_2c2e_cd_c:La-N-O-Si, expected La3Si(N3O)2 to be La3SiN3O2" +mp-1202424,Li5La5(SiN3)4,-7.3743026381,-1.3756925966,0.0,-0.0460353337,GGA,P-4b2,A5B5C12D4_tP52_117_ci_di_gh2i_i:La-Li-N-Si,52.0,A5B5C12D4_tP52_117_ci_di_gh2i_i:La-Li-N-Si +mp-1214337,Be3Tl2Ni2F12,-5.5166890939,-2.8618708909,0.0,-0.0003099873,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Ni-Tl,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Ni-Tl +mp-1214791,Be2Tl2Ni(O3F4)2,-5.0243898326,-1.7109049531,0.265783444,0.265783444,GGA+U,P2_1/c,A2B8CD6E2_mP38_14_e_4e_a_3e_e:Be-F-Ni-O-Tl,38.0,A2B8CD6E2_mP38_14_e_4e_a_3e_e:Be-F-Ni-O-Tl +mp-22515,Rb2CuPb(NO2)6,-6.3433179664,-0.9273108768,0.1825969665,0.1825969665,GGA,Fm-3,AB6C12DE2_cF88_202_a_e_h_b_c:Cu-N-O-Pb-Rb,22.0,AB6C12DE2_cF88_202_a_e_h_b_c:Cu-N-O-Pb-Rb +mp-1519932,KCaEuSeO6,-6.857717183,-2.2028127458,0.1917103947,0.1917103947,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-K-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-K-O-Se +mp-23986,NaH6ClO5,-4.8969677338,-1.1845937508,0.0979559762,0.0979559762,GGA,P-1,AB6CD5_aP26_2_i_6i_i_5i:Cl-H-Na-O,26.0,AB6CD5_aP26_2_i_6i_i_5i:Cl-H-Na-O +mp-504600,NaH4ClO2,-4.7914944225,-1.462076478,0.0268681819,0.0268681819,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:Cl-H-Na-O,32.0,AB4CD2_mP32_14_e_4e_e_2e:Cl-H-Na-O +mp-1192167,NaH4ClO6,-4.9950585667,-1.1265503666,0.0186505917,0.0186505917,GGA,P-1,AB4CD6_aP24_2_i_4i_i_6i:Cl-H-Na-O,24.0,AB4CD6_aP24_2_i_4i_i_6i:Cl-H-Na-O +mp-1196288,NaH4ClO6,-4.9929664373,-1.1244582372,0.020742721,0.020742721,GGA,Pbca,AB4CD6_oP96_61_c_4c_c_6c:Cl-H-Na-O,96.0,AB4CD6_oP96_61_c_4c_c_6c:Cl-H-Na-O +mp-540550,NaH2ClO5,-4.9461193758,-1.0916796425,0.0079036283,0.0079036283,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Cl-H-Na-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Cl-H-Na-O +mp-686722,Na3TlH24(ClO2)6,-4.5992145928,-1.1599291884,0.2165572924,0.2165572924,GGA,P1,A6B24C3D12E_aP46_1_6a_24a_3a_12a_a:Cl-H-Na-O-Tl,46.0,A6B24C3D12E_aP46_1_6a_24a_3a_12a_a:Cl-H-Na-O-Tl +mp-1520830,KLaEuSbO6,-7.3652083088,-2.3539541728,0.4445452364,0.4445452364,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Eu-K-La-O-Sb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Eu-K-La-O-Sb, expected K2LaEuSbO12 to be KLaEuSbO6" +mp-1517640,KLaEuSbO6,-7.644202598,-2.632948462,0.1655509471,0.1655509471,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Eu-K-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Eu-K-La-O-Sb +mp-1520075,KTbPrSbO6,-7.252681418,-2.8192009871,0.1410328472,0.1410328472,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Tb,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Tb +mp-2228184,Ba2YMgRuO6,-7.1240081064,-2.5004412108,0.3754053221,0.3754053221,GGA,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-Ru-Y,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a3b_a_a:Ba-Mg-O-Ru-Y, expected Ba2YMgRuO8 to be Ba2YMgRuO6" +mp-2223079,Ba2YMgRuO6,-7.1282857564,-2.5047188608,0.3711276721,0.3711276721,GGA,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-Ru-Y,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-Ru-Y, expected Ba2YMgRuO12 to be Ba2YMgRuO6" +mp-2240594,Ba2YMgRuO6,-7.13576836,-2.5122014645,0.3636450685,0.3636450685,GGA,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-Ru-Y,11.0,"Invalid WP multiplicities - A2BC6DE_hR33_160_2a_a_5b_a_a:Ba-Mg-O-Ru-Y, expected Ba2YMgRuO15 to be Ba2YMgRuO6" +mp-865433,Y2MgRu,-6.1476889825,-0.1957827783,0.0597643381,0.0597643381,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Mg-Ru-Y +mp-1200720,CsInSe2,-3.8335909478,-1.1738636835,0.0,-0.2206868893,GGA,C2/c,ABC2_mC64_15_2f_2f_2e3f:Cs-In-Se,32.0,ABC2_mC64_15_2f_2f_2e3f:Cs-In-Se +mp-1213442,CsInH2(SeO4)2,-5.2943706057,-1.2230941173,0.2997950093,0.2997950093,GGA,C2/c,AB2CD8E2_mC56_15_e_f_e_4f_f:Cs-H-In-O-Se,28.0,AB2CD8E2_mC56_15_e_f_e_4f_f:Cs-H-In-O-Se +mp-1193860,CsIn(SeO5)2,-5.3330409746,-1.0397698197,0.2465162561,0.2465162561,GGA,C2/c,ABC10D2_mC56_15_e_e_5f_f:Cs-In-O-Se,28.0,ABC10D2_mC56_15_e_e_5f_f:Cs-In-O-Se +mp-1229308,CsIn3H6(Se3O10)2,-5.6276411277000005,-1.4771952132,0.0,-0.0148871353,GGA,Pnma,AB6C3D20E6_oP144_62_c_3d_cd_2c9d_2c2d:Cs-H-In-O-Se,144.0,AB6C3D20E6_oP144_62_c_3d_cd_2c9d_2c2d:Cs-H-In-O-Se +mp-730154,NaAs3H2O9,-6.0852155853,-1.644846852,0.0,-0.009080585,GGA,P-1,A3B2CD9_aP30_2_3i_2i_i_9i:As-H-Na-O,30.0,A3B2CD9_aP30_2_3i_2i_i_9i:As-H-Na-O +mp-984519,NaAsSe2,-4.0271977222,-0.7838310587,0.0,-0.0325976718,GGA,Pc,ABC2_mP32_7_4a_4a_8a:As-Na-Se,32.0,ABC2_mP32_7_4a_4a_8a:As-Na-Se +mp-27374,NaAsSe2,-4.0221358605,-0.778769197,0.0050618617,-0.0275358101,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:As-Na-Se,64.0,"Invalid WP multiplicities - ABC2_oP64_61_4c_4c_6c:As-Na-Se, expected Na2As2Se3 to be NaAsSe2" +mp-1220807,NaAsSe2,-3.81194449,-0.5685778266,0.2152532322,0.1826555604,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:As-Na-Se,4.0,ABC2_tP4_123_a_d_bc:As-Na-Se +mp-34663,NaAsSe2,-3.9119310038,-0.6685643403,0.1152667184,0.0826690467,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:As-Na-Se,8.0,ABC2_tI16_141_a_b_e:As-Na-Se +mp-24367,Na2AsH15O11,-5.3173152366,-1.4342588403,0.0123587571,0.0123587571,GGA,P2_1/c,AB15C2D11_mP116_14_e_15e_2e_11e:As-H-Na-O,116.0,AB15C2D11_mP116_14_e_15e_2e_11e:As-H-Na-O +mp-8686,Na3AsSe3,-3.7317311729,-1.0010984988,0.0,-0.030660593,GGA,P2_13,AB3C3_cP28_198_a_3a_b:As-Na-Se,28.0,AB3C3_cP28_198_a_3a_b:As-Na-Se +mp-707396,Na3As3(HO5)2,-5.7644837572,-1.6424131851,0.1544258151,0.1544258151,GGA,C2/c,A3B2C3D10_mC144_15_3f_2f_2e2f_10f:As-H-Na-O,72.0,A3B2C3D10_mC144_15_3f_2f_2e2f_10f:As-H-Na-O +mp-23961,Na3AsH18Se4O9,-4.8535378244,-1.1906918985,0.0121207433,0.0121207433,GGA,P2_13,AB18C3D9E4_cP140_198_a_6b_3a_3b_ab:As-H-Na-O-Se,140.0,"Invalid WP multiplicities - AB18C3D9E4_cP140_198_a_9b_5a_3b_a2b:As-H-Na-O-Se, expected Na5AsH27Se7O9 to be Na3AsH18Se4O9" +mp-1222204,Na3As4H5O14,-5.8818084514,-1.6963730021,0.0,-0.0104425897,GGA,Pna2_1,A4B5C3D14_oP104_33_4a_5a_3a_14a:As-H-Na-O,104.0,"Invalid WP multiplicities - A4B5C3D14_oP104_33_12a_13a_7a_42a:As-H-Na-O, expected Na7As12H13O42 to be Na3As4H5O14" +mp-1194920,Na4AsHO5,-5.3690449343,-1.907645918,0.0091020257,0.0091020257,GGA,Pnma,ABC4D5_oP44_62_c_c_acd_3cd:As-H-Na-O,44.0,ABC4D5_oP44_62_c_c_acd_3cd:As-H-Na-O +mp-707391,Na3AsH24SeO15,-5.1650726197,-1.352609858,0.0188748347,0.0188748347,GGA,P2_12_12_1,AB24C3D15E_oP176_19_a_24a_3a_15a_a:As-H-Na-O-Se,176.0,AB24C3D15E_oP176_19_a_24a_3a_15a_a:As-H-Na-O-Se +mp-696175,NaAsH4O5,-5.5875580936,-1.5615588723,0.0031249164,0.0031249164,GGA,P2_1/m,AB4CD5_mP22_11_e_2ef_a_3ef:As-H-Na-O,22.0,AB4CD5_mP22_11_e_2ef_a_3ef:As-H-Na-O +mp-559005,NaAsH4O5,-5.583243872,-1.5572446507,0.007439138,0.007439138,GGA,P2_12_12_1,AB4CD5_oP44_19_a_4a_a_5a:As-H-Na-O,44.0,"Invalid WP multiplicities - AB4CD5_oP44_19_a_12a_a_18a:As-H-Na-O, expected NaAs(H2O3)6 to be NaAsH4O5" +mp-1194796,Na2Dy2B2TeO10,-7.4331623385,-2.8550681730000003,0.0,-0.0227782097,GGA,P2_1/c,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Dy-Na-O-Te,34.0,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Dy-Na-O-Te +mp-1247525,Ba3Al3N5,-6.4269460318,-1.0927526741,0.0416586923,0.0416586923,GGA,P-1,A3B3C5_aP22_2_3i_3i_5i:Al-Ba-N,22.0,A3B3C5_aP22_2_3i_3i_5i:Al-Ba-N +mp-1197768,Ba2LiAl(CN2)4,-7.9403744239,-0.8716825522,0.0,-0.0258907067,GGA,P2_12_12_1,AB2C4DE8_oP64_19_a_2a_4a_a_8a:Al-Ba-C-Li-N,64.0,AB2C4DE8_oP64_19_a_2a_4a_a_8a:Al-Ba-C-Li-N +mp-1204402,LiAl(CN2)2,-7.8986613894,-0.7164352167,0.0,-0.0623107452,GGA,Pbcn,AB2CD4_oP32_60_c_d_c_2d:Al-C-Li-N,32.0,AB2CD4_oP32_60_c_d_c_2d:Al-C-Li-N +mp-17133,Ba3(AlN2)2,-6.2115319111,-1.0344145578,0.0,-0.013043948,GGA,Pnna,A2B3C4_oP36_52_cd_ce_2e:Al-Ba-N,36.0,A2B3C4_oP36_52_cd_ce_2e:Al-Ba-N +mp-1246710,Ba3AlN3,-5.7401526936,-0.8098690614,0.0590222592,0.0590222592,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Al-Ba-N,14.0,AB3C3_hP14_176_c_h_h:Al-Ba-N +mp-1228122,Ba6Bi2(TeO6)3,-6.4408878876,-2.3834691847,0.0,-0.0187552878,GGA,Immm,A6B2C18D3_oI58_71_fn_h_e3ln_ag:Ba-Bi-O-Te,29.0,"Invalid WP multiplicities - A6B2C18D3_oI58_71_2f2n_h_2e12l2n_ag:Ba-Bi-O-Te, expected Ba12Bi2(TeO20)3 to be Ba6Bi2(TeO6)3" +mp-556407,Ba3Bi2TeO9,-6.415487939,-2.3420607807,0.0,-0.0236540845,GGA,P-3c1,A3B2C9D_hP30_165_ad_d_fg_b:Ba-Bi-O-Te,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_165_ad_d_3f4g_b:Ba-Bi-O-Te, expected Ba3Bi2TeO33 to be Ba3Bi2TeO9" +mp-1040443,KBaBiTeO6,-6.051683629,-2.0823535112,0.0,-0.0246429719,GGA,P2_1/m,ABCD6E_mP20_11_e_e_e_2e2f_e:Ba-Bi-K-O-Te,20.0,"Invalid WP multiplicities - ABCD6E_mP20_11_e_e_e_3e6f_e:Ba-Bi-K-O-Te, expected KBaBiTeO15 to be KBaBiTeO6" +mp-29379,K3BiTe3,-3.350935055,-0.9792773906,0.0,-0.0487283443,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-K-Te,28.0,AB3C3_cP28_198_a_3a_b:Bi-K-Te +mp-1192441,KBaMnO4,-6.7981064586,-2.2298001694,0.0,-0.0434353273,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_2cd:Ba-K-Mn-O,28.0,ABCD4_oP28_62_c_c_c_2cd:Ba-K-Mn-O +mp-1517145,KBaSrMnO6,-6.3778163575,-2.0217148675,0.2010369135,0.2010369135,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-K-Mn-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-K-Mn-O-Sr, expected K2BaSrMnO12 to be KBaSrMnO6" +mp-1517086,KBaSrMnO6,-6.36961488,-2.01351339,0.209238391,0.209238391,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Mn-O-Sr +mp-1218592,Sr3In3Ga2,-2.868348155,-0.4458827056,0.0156159917,0.0156159917,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Ga-In-Sr,16.0,A2B3C3_oC32_63_f_cf_cf:Ga-In-Sr +mp-642418,Sr11In3Ga4,-2.5196485481,-0.3556561444,0.0,-0.0037859544,GGA,Fm-3m,A4B3C11_cF144_225_f_e_abfh:Ga-In-Sr,36.0,"Invalid WP multiplicities - A4B3C11_cF144_225_f_e_ab5f4h:Ga-In-Sr, expected Sr45In3Ga4 to be Sr11In3Ga4" +mp-1520202,SrInGaWO6,-7.220874783,-2.2101212127,0.1968301898,0.1968301898,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ga-In-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ga-In-O-Sr-W +mp-1046767,Sr2GaW2O7,-7.8771483775,-2.2979680135,0.26331461,0.26331461,GGA+U,P1,AB7C2D2_aP24_1_2a_14a_4a_4a:Ga-O-Sr-W,24.0,AB7C2D2_aP24_1_2a_14a_4a_4a:Ga-O-Sr-W +mp-1225233,EuZnSn,-5.6842677067,-0.5088286183,0.0456946842,0.0019360144,GGA,C2/m,ABC_mC12_12_i_i_i:Eu-Sn-Zn,6.0,ABC_mC12_12_i_i_i:Eu-Sn-Zn +mp-11040,EuZnSn,-5.7299623908,-0.5545233025,0.0,-0.0437586698,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Sn-Zn,12.0,ABC_oP12_62_c_c_c:Eu-Sn-Zn +mp-1184291,Eu2ZnSn,-6.9735823725,-0.5277526062,0.0065277898,0.0065277898,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Eu-Sn-Zn +mp-644762,Eu(ZnSn)2,-4.518744403,-0.359617857,0.0354741228,0.0354741228,GGA,P2_1/m,AB2C2_mP10_11_e_2e_2e:Eu-Sn-Zn,10.0,"Invalid WP multiplicities - AB2C2_mP10_11_e_2e_4e:Eu-Sn-Zn, expected Eu(Zn2Sn)2 to be Eu(ZnSn)2" +mp-13135,Eu(ZnSn)2,-4.518909,-0.359782454,0.0353095258,0.0353095258,GGA,P4/nmm,AB2C2_tP10_129_c_ac_bc:Eu-Sn-Zn,10.0,AB2C2_tP10_129_c_ac_bc:Eu-Sn-Zn +mp-1047314,Zn2SnWO6,-6.632832817,-1.7161006597,0.2442669205,0.2442669205,GGA+U,P1,A6BCD2_aP10_1_6a_a_a_2a:O-Sn-W-Zn,10.0,A6BCD2_aP10_1_6a_a_a_2a:O-Sn-W-Zn +mp-1344130,Zn2SnWO6,-6.720622049,-1.8038898917,0.1564776885,0.1564776885,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Sn-W-Zn,20.0,A6BCD2_mP20_14_3e_a_d_e:O-Sn-W-Zn +mp-1517678,EuZnSnWO6,-7.981615622,-2.1651576457,0.1239149874,0.1239149874,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sn-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sn-W-Zn +mp-1205585,Ba2HoUO6,-8.607728099,-3.6685379963,0.0,-0.0658859263,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ho-O-U +mp-1228523,Ba3UFe2O9,-8.1227126107,-2.8888075673,0.0,-0.0412158601,GGA+U,Immm,A3B2C9D_oI60_71_fn_abg_e3ln_h:Ba-Fe-O-U,30.0,"Invalid WP multiplicities - A3B2C9D_oI60_71_2f2n_abg_2e12l2n_h:Ba-Fe-O-U, expected Ba6U(FeO15)2 to be Ba3UFe2O9" +mp-694975,Ba3HoUFeO9,-7.9970298067,-3.0222989192,0.2074443599,0.2074443599,GGA+U,P3m1,A3BCD9E_hP30_156_a2b3c_ac_ab_6d_ab:Ba-Fe-Ho-O-U,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_156_a2b3c_ac_ab_17d_ab:Ba-Fe-Ho-O-U, expected Ba6Ho2U2Fe2O51 to be Ba3HoUFeO9" +mp-504699,Ba2UFeO6,-8.438482202,-3.1105308652,0.0,-0.0102664878,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-U +mp-1518702,KNdFeBiO6,-6.770354062,-1.9834351633,0.1988753318,0.1988753318,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-Fe-K-Nd-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-Fe-K-Nd-O +mp-1517987,KNd(FeO3)4,-6.9047148661,-1.3981095464,0.2496045143,0.2496045143,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Fe-K-Nd-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Fe-K-Nd-O, expected KNd(Fe2O9)2 to be KNd(FeO3)4" +mp-1517573,KLaFeBiO6,-6.858688672,-2.054983806,0.1655866058,0.1655866058,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-Fe-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-Fe-K-La-O +mp-1520555,KLa(FeO3)4,-6.9358888844,-1.4199580274,0.2490115427,0.2490115427,GGA+U,P4/mmm,A4BCD12_tP18_123_i_a_d_efr:Fe-K-La-O,18.0,"Invalid WP multiplicities - A4BCD12_tP18_123_i_a_d_2e2fr:Fe-K-La-O, expected KLa(FeO4)4 to be KLa(FeO3)4" +mp-1522426,Ba2LaWO6,-8.2068684165,-3.0656464683,0.0070020875,0.0070020875,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-W +mp-1522271,Ba2LaWO6,-8.137288669,-2.9960667208,0.076581835,0.076581835,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-W +mp-1519664,BaNaLaWO6,-7.9558568095,-2.8742798259,0.0460953537,0.0460953537,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-La-Na-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-La-Na-O-W, expected BaNa2LaWO12 to be BaNaLaWO6" +mp-1519691,BaNaLaWO6,-7.934409978,-2.8528329944,0.0675421852,0.0675421852,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-La-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-La-Na-O-W +mp-1203123,BaLa2WO7,-8.6895157659,-3.291703006,0.0,-0.0071010057,GGA+U,Pc,AB2C7D_mP44_7_2a_4a_14a_2a:Ba-La-O-W,44.0,"Invalid WP multiplicities - AB2C7D_mP44_14_e_2e_10e_e:Ba-La-O-W, expected BaLa2WO10 to be BaLa2WO7" +mp-1201679,BaLa2WO7,-8.6889696014,-3.2911568415,0.0005461645,-0.0065548411,GGA+U,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Ba-La-O-W,44.0,AB2C7D_mP44_14_e_2e_7e_e:Ba-La-O-W +mp-1211088,LiCaP,-4.1423080517,-1.0330329672,0.0,-0.2387881467,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Li-P,12.0,ABC_oP12_62_c_c_c:Ca-Li-P +mp-646967,Ca3Mg3(PO4)4,-7.4865620478,-3.1935670787,0.0072974172,0.0072974172,GGA,C2/c,A3B3C16D4_mC312_15_e4f_e4f_24f_6f:Ca-Mg-O-P,156.0,"Invalid WP multiplicities - A3B3C16D4_mC312_15_2e15f_2e13f_93f_21f:Ca-Mg-O-P, expected Ca16Mg14(P7O31)3 to be Ca3Mg3(PO4)4" +mp-686484,LiCa9Mg(PO4)7,-7.5473722595,-3.2438939269,0.0325470825,0.0325470825,GGA,P1,A9BCD28E7_aP184_1_36a_4a_4a_112a_28a:Ca-Li-Mg-O-P,184.0,A9BCD28E7_aP184_1_36a_4a_4a_112a_28a:Ca-Li-Mg-O-P +mp-1228644,Ca19Mg2(PO4)14,-7.6406804947,-3.3098259811,0.0,-0.0078621348,GGA,R3,A19B2C56D14_hR273_146_a6b_2a_2a18b_2a4b:Ca-Mg-O-P,91.0,A19B2C56D14_hR273_146_a6b_2a_2a18b_2a4b:Ca-Mg-O-P +mp-16804,LiCaPO4,-7.2647818619,-3.1055561336,0.0030693378,0.0030693378,GGA,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Ca-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a3b7c_2a2b:Ca-Li-O-P, expected Li3Ca3P4O25 to be LiCaPO4" +mp-1214202,Ca2Mg(PO5)2,-6.9726347427,-2.5789699469,0.2339969109,0.2339969109,GGA,P-1,A2BC10D2_aP15_2_i_a_5i_i:Ca-Mg-O-P,15.0,A2BC10D2_aP15_2_i_a_5i_i:Ca-Mg-O-P +mp-728486,Ca9Mg(PO4)7,-7.6060307578,-3.2493400815,0.0083680758,0.0083680758,GGA,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Mg-O-P,90.0,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Mg-O-P +mp-1225109,DyY(FeO3)2,-8.609681022,-2.8403377579,0.0091216279,0.0091216279,GGA+U,Pmc2_1,AB2C6D_oP20_26_a_c_ab2c_b:Dy-Fe-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_oP20_26_a_c_ab3c_b:Dy-Fe-O-Y, expected DyY(FeO4)2 to be DyY(FeO3)2" +mp-1225043,DyYFe4,-7.5606145067,-0.0683907078,0.0022299108,0.0022299108,GGA,F-43m,AB4C_cF24_216_a_e_c:Dy-Fe-Y,6.0,AB4C_cF24_216_a_e_c:Dy-Fe-Y +mp-1216476,V8Cd3CuO24,-7.6143191831,-2.1071065836,0.0301141611,0.0301141611,GGA+U,P2/m,A3BC24D8_mP36_10_cn_d_6m6n_2m2n:Cd-Cu-O-V,36.0,"Invalid WP multiplicities - A3BC24D8_mP36_10_a2n_d_12m9n_4m3n:Cd-Cu-O-V, expected V14Cd5CuO42 to be V8Cd3CuO24" +mp-1219122,RbV3Cd4O12,-6.5964340335,-2.0322302406,0.0,-0.0041869668,GGA+U,Cc,A4B12CD3_mC80_9_4a_12a_a_3a:Cd-O-Rb-V,40.0,"Invalid WP multiplicities - A4B12CD3_mC80_9_5a_18a_a_4a:Cd-O-Rb-V, expected RbV4Cd5O18 to be RbV3Cd4O12" +mp-1209242,RbV3CdCu4O13,-6.7301581552,-1.736570793,0.0551610636,0.0551610636,GGA+U,P2_1/m,AB4C13DE3_mP44_11_e_2ef_7e3f_e_3e:Cd-Cu-O-Rb-V,44.0,AB4C13DE3_mP44_11_e_2ef_7e3f_e_3e:Cd-Cu-O-Rb-V +mp-1219824,Rb2V6CdCu9O26,-6.7688680295,-1.7030916466,0.0553749359,0.0553749359,GGA+U,Pm,AB9C26D2E6_mP44_6_a_2a3b2c_7a7b6c_ab_3a3b:Cd-Cu-O-Rb-V,44.0,"Invalid WP multiplicities - AB9C26D2E6_mP44_6_a_2a3b3c_7a7b9c_ab_3a3b:Cd-Cu-O-Rb-V, expected Rb2V6CdCu11O32 to be Rb2V6CdCu9O26" +mp-558909,RbV3Cd3O11,-6.8469259692,-2.1016761144,0.0,-0.0010477401,GGA+U,P2_1/c,A3B11CD3_mP72_14_3e_11e_e_3e:Cd-O-Rb-V,72.0,"Invalid WP multiplicities - A3B11CD3_mP72_14_8e_43e_e_9e:Cd-O-Rb-V, expected RbV9Cd8O43 to be RbV3Cd3O11" +mp-505424,VCdCuO4,-6.5784332293,-1.7366107514,0.0391678629,0.0391678629,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Cd-Cu-O-V,14.0,ABC4D_oC28_63_a_c_fg_c:Cd-Cu-O-V +mp-645902,Co3Ge(CO)10,-7.734694953,-0.7471314831,0.4414702302,0.4414702302,GGA+U,P-1,A10B3CD10_aP96_2_20i_6i_2i_20i:C-Co-Ge-O,96.0,"Invalid WP multiplicities - A10B3CD10_aP96_2_38i_10i_3i_39i:C-Co-Ge-O, expected Co10Ge3C38O39 to be Co3Ge(CO)10" +mp-650858,Co6Ge2(CO)19,-7.7201406686,-0.7369299653,0.4427721542,0.4427721542,GGA+U,Cmce,A19B6C2D19_oC368_64_3f8g_4fg_g_3f8g:C-Co-Ge-O,184.0,"Invalid WP multiplicities - A19B6C2D19_oC368_64_11f58g_15f6g_g_11f58g:C-Co-Ge-O, expected Co27Ge2(CO)127 to be Co6Ge2(CO)19" +mp-652793,Fe2Co4Ge2(CO)21,-7.7283655097,-0.6823293579,0.5381836245,0.5381836245,GGA+U,C2/c,A21B4C2D2E21_mC400_15_21f_4f_2f_2f_21f:C-Co-Fe-Ge-O,200.0,"Invalid WP multiplicities - A21B4C2D2E21_mC400_15_82f_12f_5f_6f_81f:C-Co-Fe-Ge-O, expected Fe5Co12Ge6C82O81 to be Fe2Co4Ge2(CO)21" +mp-649805,Fe4Ge(CO)16,-7.7573829308,-0.5868753645,0.6930212885,0.6930212885,GGA+U,P2_1/c,A16B4CD16_mP148_14_16e_4e_e_16e:C-Fe-Ge-O,148.0,"Invalid WP multiplicities - A16B4CD16_mP148_14_61e_13e_e_59e:C-Fe-Ge-O, expected Fe13GeC61O59 to be Fe4Ge(CO)16" +mp-652229,Co4Ge(CO)13,-7.7585460856,-0.7477104829,0.4421667862,0.4421667862,GGA+U,P-1,A13B4CD13_aP62_2_13i_4i_i_13i:C-Co-Ge-O,62.0,"Invalid WP multiplicities - A13B4CD13_aP62_2_23i_8i_i_26i:C-Co-Ge-O, expected Co8GeC23O26 to be Co4Ge(CO)13" +mp-653817,Fe6Ge2(CO)23,-7.714917996,-0.5649304098,0.7098865168,0.7098865168,GGA+U,P-1,A23B6C2D23_aP108_2_23i_6i_2i_23i:C-Fe-Ge-O,108.0,"Invalid WP multiplicities - A23B6C2D23_aP108_2_45i_11i_3i_46i:C-Fe-Ge-O, expected Fe11Ge3C45O46 to be Fe6Ge2(CO)23" +mp-1190594,CsMn(OF2)2,-5.2759254538,-1.8263365842,0.3866097103,0.3866097103,GGA+U,C2/c,AB4CD2_mC32_15_e_2f_c_f:Cs-F-Mn-O,16.0,AB4CD2_mC32_15_e_2f_c_f:Cs-F-Mn-O +mp-699398,CsMnMo(OF)3,-7.0760563467,-2.4674373677,0.0792374903,0.0792374903,GGA+U,C2/c,AB3CDE3_mC36_15_e_ef_c_a_ef:Cs-F-Mn-Mo-O,18.0,AB3CDE3_mC36_15_e_ef_c_a_ef:Cs-F-Mn-Mo-O +mp-1101095,Cs2MnOF5,-5.2473389822,-2.4187941394,0.2374721989,0.2374721989,GGA+U,Cmm2,A2B5CD_oC18_35_c_ade_a_b:Cs-F-Mn-O,9.0,A2B5CD_oC18_35_c_ade_a_b:Cs-F-Mn-O +mp-1104015,CsMoO2F3,-6.5101913307,-2.6003532154,0.0,-0.0904850936,GGA+U,Imma,AB3CD2_oI28_74_e_ai_e_h:Cs-F-Mo-O,14.0,AB3CD2_oI28_74_e_ai_e_h:Cs-F-Mo-O +mp-562523,Cs3Mo2(O2F)3,-6.7052203221,-2.4343577146,0.0,-0.0300610691,GGA+U,P6_3/mmc,A3B3C2D6_hP28_194_cf_h_e_k:Cs-F-Mo-O,28.0,"Invalid WP multiplicities - A3B3C2D6_hP28_194_2c2f_h_e_k:Cs-F-Mo-O, expected Cs6Mo2(O2F)3 to be Cs3Mo2(O2F)3" +mp-777144,Ti3Cu2Te(PO4)6,-7.7754157969,-2.6024008138,0.0446860795,0.0446860795,GGA,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Te-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Cu-O-P-Te-Ti, expected Ti3Cu2Te(PO11)6 to be Ti3Cu2Te(PO4)6" +mp-12527,Ti2Te2P,-6.581540694,-1.0833610287,0.0,-0.0237174045,GGA,R-3m,AB2C2_hR15_166_a_c_c:P-Te-Ti,5.0,AB2C2_hR15_166_a_c_c:P-Te-Ti +mp-1043738,TiTe(PO4)3,-7.6358719341,-2.5394619362,0.0193021508,0.0193021508,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Te-Ti,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Te-Ti, expected TiTe(PO18)3 to be TiTe(PO4)3" +mp-753494,Li4FeSb(WO6)2,-7.4408008368,-2.1652388912,0.0325398807,0.0325398807,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-Sb-W,40.0,"Invalid WP multiplicities - AB4C12DE2_aP20_1_a_4a_12a_a_4a:Fe-Li-O-Sb-W, expected Li4FeSb(WO3)4 to be Li4FeSb(WO6)2" +mp-1519488,Ca2VSbO6,-7.111499196,-2.4210752622,0.325236578,0.325236578,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-V,10.0,A2B6CD_cF40_225_c_e_a_b:Ca-O-Sb-V +mp-775544,Ni3Sb(PO4)4,-7.19972492,-2.1051565581,0.0848666614,0.0848666614,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Sb +mp-752690,Ni5Sb(PO4)6,-7.1802351578,-2.0627343592,0.0778820136,0.0778820136,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Ni-O-P-Sb, expected Ni5Sb(PO10)6 to be Ni5Sb(PO4)6" +mp-754291,NiSb(PO4)2,-7.2098348917,-2.1840638397,0.0845730383,0.0845730383,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Sb,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Ni-O-P-Sb, expected NiSb(PO5)3 to be NiSb(PO4)2" +mp-776222,Mn2Ni3Sb(PO4)6,-7.4992718233,-2.1938888796,0.0805418076,0.0805418076,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Mn-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Mn-Ni-O-P-Sb, expected Mn2Ni3Sb(PO11)6 to be Mn2Ni3Sb(PO4)6" +mp-1043461,NiSbP2O9,-7.0954697196,-2.0757819246,0.0825969302,0.0825969302,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Sb,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Sb +mp-775231,NiSb3(PO4)6,-7.2364352312,-2.2550386279,0.0261277659,0.0261277659,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Ni-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Ni-O-P-Sb, expected NiSb3(PO10)6 to be NiSb3(PO4)6" +mp-1210058,Ni10SbP3,-6.006284585,-0.4226934736,0.0073952068,0.0073952068,GGA,P-3m1,A10B3C_hP42_164_c2dh3i_ei_ad:Ni-P-Sb,42.0,A10B3C_hP42_164_c2dh3i_ei_ad:Ni-P-Sb +mp-774940,Mn3Ni2Sb(PO4)6,-7.6849706511,-2.2856466348,0.0556912096,0.0556912096,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Mn-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Mn-Ni-O-P-Sb, expected Mn3Ni2Sb(PO11)6 to be Mn3Ni2Sb(PO4)6" +mp-778073,TiMn7(PO4)12,-7.7905503643,-2.2842226101,0.0658982946,0.0658982946,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Ti,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Ti +mp-19383,Ti4Mn(PO4)6,-8.477269143400001,-2.9931455015,0.0,-0.0189246496,GGA+U,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Mn-O-P-Ti,35.0,AB24C6D4_hR105_148_a_4f_f_2c:Mn-O-P-Ti +mp-774461,TiMn3(PO4)6,-7.8710599706,-2.3833575587,0.0517041439,0.0517041439,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Mn-O-P-Ti,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Mn-O-P-Ti, expected TiMn3(PO10)6 to be TiMn3(PO4)6" +mp-776000,Ti3Mn2Sb(PO4)6,-8.2587285928,-2.7770660377,0.0505803779,0.0505803779,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Mn-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Mn-O-P-Sb-Ti, expected Ti3Mn2Sb(P3O22)3 to be Ti3Mn2Sb(PO4)6" +mp-777450,Ti5Mn(PO4)6,-8.4527539353,-2.9016478385,0.0893590871,0.0893590871,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_22b_3b_5a:Mn-O-P-Ti, expected Ti5Mn(P3O22)3 to be Ti5Mn(PO4)6" +mp-774911,TiMn3Sb2(PO4)6,-7.9073156892,-2.4950966758,0.0862160067,0.0862160067,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Mn-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_22b_2b_2a_a:Mn-O-P-Sb-Ti, expected TiMn3Sb2(PO11)6 to be TiMn3Sb2(PO4)6" +mp-759966,Ti2Mn(PO4)3,-8.5130820269,-2.926794728,0.0069216902,0.0069216902,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Mn-O-P-Ti, expected Ti2Mn(PO26)3 to be Ti2Mn(PO4)3" +mp-1217628,Ti12Mn5(PO4)18,-8.4994785413,-2.946609261,0.0065465769,0.0065465769,GGA+U,P-1,A5B72C18D12_aP107_2_a2i_36i_9i_6i:Mn-O-P-Ti,107.0,"Invalid WP multiplicities - A5B72C18D12_aP107_2_a2i_72i_18i_12i:Mn-O-P-Ti, expected Ti24Mn5(PO4)36 to be Ti12Mn5(PO4)18" +mp-16977,Ti(MnP6)2,-6.4718373493,-0.3932271706,0.0111231628,0.0111231628,GGA,C2/c,A2B12C_mC60_15_f_6f_e:Mn-P-Ti,30.0,"Invalid WP multiplicities - A2B12C_mC60_15_f_7f_e:Mn-P-Ti, expected Ti(MnP7)2 to be Ti(MnP6)2" +mp-1206854,TiMnP,-8.5100819089,-1.0198119704,0.0,-0.2072510812,GGA,P-62m,ABC_hP9_189_f_bc_g:Mn-P-Ti,9.0,ABC_hP9_189_f_bc_g:Mn-P-Ti +mp-2214853,TiMn5(PO4)6,-8.2503253272,-2.558494422,0.0278395074,0.0278395074,GGA+U,P1,A5B24C6D_aP36_1_5a_24a_6a_a:Mn-O-P-Ti,36.0,A5B24C6D_aP36_1_5a_24a_6a_a:Mn-O-P-Ti +mp-771693,TiMn5(PO4)6,-8.24081706,-2.5489861548,0.0373477746,0.0373477746,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Mn-O-P-Ti, expected TiMn5(PO10)6 to be TiMn5(PO4)6" +mp-774414,Ti3Mn(PO4)6,-8.0907967974,-2.6775957546,0.0957489931,0.0957489931,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Mn-O-P-Ti,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Mn-O-P-Ti, expected Ti3Mn(PO10)6 to be Ti3Mn(PO4)6" +mp-771949,TiMn3(PO4)4,-8.3101936846,-2.6359533804,0.0219247023,0.0219247023,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Ti,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Ti +mp-775892,Ti3MnSb2(PO4)6,-8.0358037569,-2.6939471477,0.0888351407,0.0888351407,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Mn-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Mn-O-P-Sb-Ti, expected Ti3MnSb2(P3O22)3 to be Ti3MnSb2(PO4)6" +mp-774823,TiMn(PO4)2,-8.4641954677,-2.8427269667,0.029783576,0.029783576,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-Ti,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-Ti +mp-773171,TiMn(PO4)2,-8.479038795,-2.8575702940000003,0.0149402487,0.0149402487,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Mn-O-P-Ti, expected TiMn(PO10)2 to be TiMn(PO4)2" +mp-1223106,La2Ti3VO10,-9.1871123425,-3.4302821273,0.1095847977,0.1095847977,GGA+U,I-4m2,A2B10C3D_tI32_119_e_2e3f_ae_c:La-O-Ti-V,16.0,"Invalid WP multiplicities - A2B10C3D_tI32_119_e_2e4f_ae_c:La-O-Ti-V, expected La2Ti3VO12 to be La2Ti3VO10" +mp-699401,CsScAsO4F,-6.5678950666,-2.3697421047,0.3820705686,0.3820705686,GGA,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:As-Cs-F-O-Sc,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_5a_5a_5a_29a_5a:As-Cs-F-O-Sc, expected Cs5Sc5As5O29F5 to be CsScAsO4F" +mp-562403,CsAsOF4,-5.18477393,-2.5923274502,0.0,-0.0225467191,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:As-Cs-F-O,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_11e_e:As-Cs-F-O, expected CsAsOF11 to be CsAsOF4" +mp-557115,Cs2As2OF10,-5.0270896603,-2.6823883310000003,0.005201081,0.005201081,GGA,P2_1/m,A2B2C10D_mP30_11_2e_f_4e3f_e:As-Cs-F-O,30.0,"Invalid WP multiplicities - A2B2C10D_mP30_11_3e_f_7e12f_e:As-Cs-F-O, expected Cs2As3OF31 to be Cs2As2OF10" +mp-1104942,RbNiC2BrN2,-6.6487885021,-0.4424999425,0.1604355312,0.1604355312,GGA,I4/mmm,AB2C2DE_tI28_139_e_h_h_ab_d:Br-C-N-Ni-Rb,14.0,AB2C2DE_tI28_139_e_h_h_ab_d:Br-C-N-Ni-Rb +mp-1180252,NiC4Br3N,-5.3779908294,0.8098290111,1.1184219155,1.1184219155,GGA,P2_1,A3B4CD_mP18_4_3a_4a_a_a:Br-C-N-Ni,18.0,"Invalid WP multiplicities - A3B4CD_mP18_4_6a_7a_a_a:Br-C-N-Ni, expected NiC7Br6N to be NiC4Br3N" +mp-1246401,RbNiN,-5.06283218,-0.0304436208,0.1527970122,0.1527970122,GGA,Pnma,ABC_oP12_62_c_c_c:N-Ni-Rb,12.0,ABC_oP12_62_c_c_c:N-Ni-Rb +mp-1245809,RbNiN,-5.04414421,-0.0117556508,0.1714849822,0.1714849822,GGA,P-6m2,ABC_hP3_187_a_b_c:N-Ni-Rb,3.0,ABC_hP3_187_a_b_c:N-Ni-Rb +mp-27409,RbNiBr3,-3.600229622,-1.3162784735,0.0,-0.003484732,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Br-Ni-Rb,10.0,A3BC_hP10_194_h_a_c:Br-Ni-Rb +mp-731671,MoH2Cl2O3,-5.9665883125,-1.4455581058,0.0428592822,0.0428592822,GGA+U,Pmn2_1,A2B2CD3_oP16_31_b_b_a_3a:Cl-H-Mo-O,16.0,A2B2CD3_oP16_31_b_b_a_3a:Cl-H-Mo-O +mp-1210599,MoH(ClO)2,-5.5535286642,-0.9153908479,0.6155336459,0.6155336459,GGA+U,Pmn2_1,A2BCD2_oP12_31_b_a_a_2a:Cl-H-Mo-O,12.0,A2BCD2_oP12_31_b_a_a_2a:Cl-H-Mo-O +mp-699452,Mo6H20Cl14O9,-5.188386814,-1.0388330752,0.2387977252,0.2387977252,GGA+U,C2/c,A14B20C6D9_mC196_15_7f_10f_3f_e4f:Cl-H-Mo-O,98.0,A14B20C6D9_mC196_15_7f_10f_3f_e4f:Cl-H-Mo-O +mp-732275,Mo3H9Br3(ClO)4,-5.0557168141,-0.9291311093,0.3008346005,0.3008346005,GGA+U,P2_1/c,A3B4C9D3E4_mP92_14_3e_4e_9e_3e_4e:Br-Cl-H-Mo-O,92.0,A3B4C9D3E4_mP92_14_3e_4e_9e_3e_4e:Br-Cl-H-Mo-O +mp-1522800,CaEuHfWO6,-9.530291236,-3.0444859153,0.161006082,0.161006082,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Hf-O-W +mp-1208855,Sr2HCl2,-2.990524544,-0.8967672897000001,1.0632257093,1.0632257093,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-H-Sr,5.0,A2BC2_tP5_123_g_a_g:Cl-H-Sr +mp-23827,Sr7(H6Cl)2,-3.6701424443,-0.9922262522,0.0,-0.0062462787,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Cl-H-Sr,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_2j2k_ej2k:Cl-H-Sr, expected Sr5H6Cl to be Sr7(H6Cl)2" +mp-1203896,Sn21H14(Cl4O5)4,-5.1188225063,-1.4538994870000002,0.0,-0.0036712846,GGA,R32,A16B14C20D21_hR213_155_ad2f_c2f_c3f_3ce2f:Cl-H-O-Sn,71.0,A16B14C20D21_hR213_155_ad2f_c2f_c3f_3ce2f:Cl-H-O-Sn +mp-1198647,SnH4(Cl2O)2,-4.509136728,-1.3393185373,0.0097106202,0.0097106202,GGA,Pbcn,A4B4C2D_oP44_60_2d_2d_d_c:Cl-H-O-Sn,44.0,A4B4C2D_oP44_60_2d_2d_d_c:Cl-H-O-Sn +mp-541339,SrH9ClO5,-5.2348866713,-1.5595111666,0.0170791494,0.0170791494,GGA,P-1,AB9C5D_aP32_2_i_9i_5i_i:Cl-H-O-Sr,32.0,AB9C5D_aP32_2_i_9i_5i_i:Cl-H-O-Sr +mp-1200278,SnH7Cl3O4,-4.8955449197,-1.3561436533,0.0047940452,0.0047940452,GGA,P2_1/c,A3B7C4D_mP60_14_3e_7e_4e_e:Cl-H-O-Sn,60.0,A3B7C4D_mP60_14_3e_7e_4e_e:Cl-H-O-Sn +mp-1198797,SnH8(ClO)4,-4.7551317326,-1.3238210444,0.0022170738,0.0022170738,GGA,Cc,A4B8C4D_mC136_9_8a_16a_8a_2a:Cl-H-O-Sn,68.0,A4B8C4D_mC136_9_8a_16a_8a_2a:Cl-H-O-Sn +mp-705479,SnH6Cl4O3,-4.6612270955,-1.3326456028,0.0024247095,0.0024247095,GGA,P2_1/c,A4B6C3D_mP56_14_4e_6e_3e_e:Cl-H-O-Sn,56.0,A4B6C3D_mP56_14_4e_6e_3e_e:Cl-H-O-Sn +mp-643026,SrH4(ClO)2,-5.0146411733,-1.8089913538,0.0105787006,0.0105787006,GGA,C2/c,A2B4C2D_mC36_15_f_2f_f_e:Cl-H-O-Sr,18.0,A2B4C2D_mC36_15_f_2f_f_e:Cl-H-O-Sr +mp-1202849,SrH18Cl2O17,-5.1755777046,-1.2137528711,0.0110774717,0.0110774717,GGA,Cmcm,A2B18C17D_oC152_63_g_f4h_cef2g2h_c:Cl-H-O-Sr,76.0,A2B18C17D_oC152_63_g_f4h_cef2g2h_c:Cl-H-O-Sr +mp-23885,SrH12(ClO3)2,-5.1024990162,-1.4939556076,0.0184624274,0.0184624274,GGA,P321,A2B12C6D_hP21_150_d_2g_ef_a:Cl-H-O-Sr,21.0,A2B12C6D_hP21_150_d_2g_ef_a:Cl-H-O-Sr +mp-1205187,SrH8(ClO6)2,-5.1824016898,-1.1872434433,0.0002671097,0.0002671097,GGA,P-1,A2B8C12D_aP46_2_2i_8i_12i_i:Cl-H-O-Sr,46.0,A2B8C12D_aP46_2_2i_8i_12i_i:Cl-H-O-Sr +mp-1197014,Sn2H12Cl6O7,-4.866459197,-1.3683148567,0.0011839328,0.0011839328,GGA,C2/c,A6B12C7D2_mC108_15_3f_6f_e3f_f:Cl-H-O-Sn,54.0,A6B12C7D2_mC108_15_3f_6f_e3f_f:Cl-H-O-Sn +mp-23860,SrHCl,-4.12960599,-1.8193539372,0.0,-0.0344710725,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-H-Sr,6.0,ABC_tP6_129_c_a_c:Cl-H-Sr +mp-1205011,SrH6Cl2O11,-5.1811539763,-1.173329033,0.0,-0.0104774542,GGA,P2_1/c,A2B6C11D_mP160_14_4e_12e_22e_2e:Cl-H-O-Sr,160.0,A2B6C11D_mP160_14_4e_12e_22e_2e:Cl-H-O-Sr +mp-1202021,SnH16(ClO2)4,-4.9382809472,-1.3085966402,0.0,-0.0015176766,GGA,C2/c,A4B16C8D_mC116_15_2f_8f_4f_e:Cl-H-O-Sn,58.0,A4B16C8D_mC116_15_2f_8f_4f_e:Cl-H-O-Sn +mp-1198973,SrSn2H10Cl6O5,-4.8135194,-1.5026626863,0.0110116091,0.0110116091,GGA,C2/c,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Cl-H-O-Sn-Sr,48.0,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Cl-H-O-Sn-Sr +mp-1200784,SnH6Cl2O11,-5.0467440563,-0.9229151928,0.1166104246,0.1166104246,GGA,P6_3,A2B6C11D_hP40_173_2b_2c_2b3c_a:Cl-H-O-Sn,40.0,A2B6C11D_hP40_173_2b_2c_2b3c_a:Cl-H-O-Sn +mp-554808,SnH22(Cl3O5)2,-4.8449385615,-1.2755115893,0.0,-0.0085302862,GGA,P2_1/c,A6B22C10D_mP78_14_3e_11e_5e_a:Cl-H-O-Sn,78.0,"Invalid WP multiplicities - A6B22C10D_mP78_14_11e_43e_19e_a:Cl-H-O-Sn, expected SnH86(Cl11O19)2 to be SnH22(Cl3O5)2" +mp-721686,SnH4(ClO)2,-4.7799503472,-1.3165140386,0.0056089981,0.0056089981,GGA,P2_1/c,A2B4C2D_mP36_14_2e_4e_2e_e:Cl-H-O-Sn,36.0,A2B4C2D_mP36_14_2e_4e_2e_e:Cl-H-O-Sn +mp-766259,SnH10Cl4O5,-4.8209726648,-1.3177515397,0.0019640428,0.0019640428,GGA,C2/c,A4B10C5D_mC80_15_2f_5f_e2f_e:Cl-H-O-Sn,40.0,"Invalid WP multiplicities - A4B10C5D_mC80_15_3f_15f_2e5f_e:Cl-H-O-Sn, expected SnH30(ClO2)6 to be SnH10Cl4O5" +mp-733788,SrSn2Cl6O5,-4.1161774575,-0.8637988375000001,0.8045619907,0.8045619907,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Sn-Sr,28.0,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Sn-Sr +mp-1194428,SrSn2Cl6O5,-4.1003842907,-0.8480056707,0.8203551575,0.8203551575,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Sn-Sr,28.0,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Sn-Sr +mp-642662,SrH2Cl2O,-4.651646535,-1.7985286059,0.2897994654,0.2897994654,GGA,Pnma,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-O-Sr,24.0,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-O-Sr +mp-24066,SrHClO,-5.42956042,-2.4601992026,0.0,-0.0517952944,GGA,P6_3mc,ABCD_hP8_186_b_a_a_b:Cl-H-O-Sr,8.0,ABCD_hP8_186_b_a_a_b:Cl-H-O-Sr +mp-772039,Na4Sn4H10O11,-5.2861701876,-1.5044727784,0.016635432,0.016635432,GGA,P2_1/c,A10B4C11D4_mP116_14_10e_4e_11e_4e:H-Na-O-Sn,116.0,"Invalid WP multiplicities - A10B4C11D4_mP116_14_39e_13e_39e_15e:H-Na-O-Sn, expected Na13Sn15(HO)39 to be Na4Sn4H10O11" +mp-757981,Na2SnGe2(HO4)2,-6.124832926,-1.9741902639,0.0,-0.0072956245,GGA,P-1,A2B2C2D8E_aP30_2_2i_2i_2i_8i_bd:Ge-H-Na-O-Sn,30.0,A2B2C2D8E_aP30_2_2i_2i_2i_8i_bd:Ge-H-Na-O-Sn +mp-643788,Na2Sn(HO)6,-5.310631578,-1.5312241794,0.067385826,0.067385826,GGA,R-3,A6B2C6D_hR45_148_f_c_f_a:H-Na-O-Sn,15.0,A6B2C6D_hR45_148_f_c_f_a:H-Na-O-Sn +mp-740722,Na3GeH11O9,-5.297079491,-1.5291299647,0.0087499139,0.0087499139,GGA,Pbca,AB11C3D9_oP192_61_c_11c_3c_9c:Ge-H-Na-O,192.0,AB11C3D9_oP192_61_c_11c_3c_9c:Ge-H-Na-O +mp-1210394,Na4Sn2Ge5HO16,-6.231623935,-1.9829050213,0.0976429112,0.0976429112,GGA,P2/c,A5BC4D16E2_mP56_13_e2g_f_2g_8g_g:Ge-H-Na-O-Sn,56.0,"Invalid WP multiplicities - A5BC4D16E2_mP56_13_2e4g_f_3g_16g_g:Ge-H-Na-O-Sn, expected Na6Sn2Ge10HO32 to be Na4Sn2Ge5HO16" +mp-707767,Na2Sn2H4O5,-5.2903795576,-1.523568632,0.0251227541,0.0251227541,GGA,P2_12_12_1,A4B2C5D2_oP104_19_8a_4a_10a_4a:H-Na-O-Sn,104.0,A4B2C5D2_oP104_19_8a_4a_10a_4a:H-Na-O-Sn +mp-1519332,EuMnSnWO6,-8.841106233,-2.2344210885,0.1050484024,0.1050484024,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Sn-W +mp-1516440,Eu2MnWO6,-9.91328831,-2.6818601710000003,0.0,-0.0305130005,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Mn-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Mn-O-W +mp-1048596,YFe3Se2ClO8,-7.200331835,-1.8476382318,0.0648301987,0.0648301987,GGA+U,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Fe-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Fe-O-Se-Y, expected YFe5Se2ClO22 to be YFe3Se2ClO8" +mp-1104229,YFeCl2O3,-6.6504850393,-1.8685376426,0.3336030774,0.3336030774,GGA+U,C2/m,A2BC3D_mC28_12_2i_ac_3i_i:Cl-Fe-O-Y,14.0,A2BC3D_mC28_12_2i_ac_3i_i:Cl-Fe-O-Y +mp-2222813,MgMo2HO6,-7.651121233,-2.0146773747,0.1215363059,0.1215363059,GGA+U,Cm,ABC2D6_mC20_8_a_a_2a_6a:H-Mg-Mo-O,10.0,ABC2D6_mC20_8_a_a_2a_6a:H-Mg-Mo-O +mp-2222875,MgMo2HO6,-7.664251714,-2.0278078557,0.1084058249,0.1084058249,GGA+U,P1,ABC2D6_aP10_1_a_a_2a_6a:H-Mg-Mo-O,10.0,ABC2D6_aP10_1_a_a_2a_6a:H-Mg-Mo-O +mp-2239842,MgMo2HO6,-7.635537297,-1.9990934387,0.1371202419,0.1371202419,GGA+U,P1,ABC2D6_aP10_1_a_a_2a_6a:H-Mg-Mo-O,10.0,ABC2D6_mP10_6_a_b_ab_3a3b:H-Mg-Mo-O +mp-2222932,MgMo2HO6,-7.638739907,-2.0022960487,0.1339176319,0.1339176319,GGA+U,Pm,ABC2D6_mP10_6_a_b_ab_3a3b:H-Mg-Mo-O,10.0,ABC2D6_mP10_6_a_b_ab_3a3b:H-Mg-Mo-O +mp-24620,MgMoH2O5,-6.9213664722,-2.0363858271,0.0,-0.0009783128,GGA+U,P-1,A2BCD5_aP18_2_2i_i_i_5i:H-Mg-Mo-O,18.0,A2BCD5_aP18_2_2i_i_i_5i:H-Mg-Mo-O +mp-2240868,MgMo2H4(Cl2O3)2,-5.9005862159,-1.5513648419,0.1537277214,0.1537277214,GGA+U,P1,A4B4CD2E6_aP17_1_4a_4a_a_2a_6a:Cl-H-Mg-Mo-O,17.0,A4B4CD2E6_aP17_1_4a_4a_a_2a_6a:Cl-H-Mg-Mo-O +mp-2240875,MgMo2H4(Cl2O3)2,-5.9307772935,-1.5815559196,0.1235366438,0.1235366438,GGA+U,Pm,A4B4CD2E6_mP17_6_2c_2c_a_ab_3a3b:Cl-H-Mg-Mo-O,17.0,A4B4CD2E6_mP17_6_2c_2c_a_ab_3a3b:Cl-H-Mg-Mo-O +mp-2228631,MgMo2(HO2)4,-6.813870686,-1.7181377433,0.1645852338,0.1645852338,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:H-Mg-Mo-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:H-Mg-Mo-O +mp-1093830,Sr2ZnSn,-1.01688831,1.1451872829,1.6528048183,1.6528048183,GGA,Immm,AB2C_oI8_71_a_e_b:Sn-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Sn-Sr-Zn +mp-1019279,SrZnSn,-2.838924675,-0.5193217022000001,0.0,-0.0361781827,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Sn-Sr-Zn,6.0,ABC_hP6_194_c_a_d:Sn-Sr-Zn +mp-1080049,Sr(ZnSn)2,-2.804732997,-0.3591081203,0.0,-0.0173598515,GGA,P2_1/m,A2BC2_mP10_11_2e_e_2e:Sn-Sr-Zn,10.0,A2BC2_mP10_11_2e_e_2e:Sn-Sr-Zn +mp-1517877,SrZnSnWO6,-7.147245533,-2.1875383914,0.145075046,0.145075046,GGA+U,F-43m,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-W-Zn,10.0,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-W-Zn +mp-1228262,Ba2Y2Mn4O11,-8.4224411716,-2.7470449032,0.0318640816,0.0318640816,GGA+U,P2/m,A2B4C11D2_mP19_10_be_2m_c3m2n_n:Ba-Mn-O-Y,19.0,A2B4C11D2_mP19_10_cd_2n_b2m3n_m:Ba-Mn-O-Y +mp-1214593,Ba2Y2Mn4O11,-8.4230490474,-2.747652779,0.0312562058,0.0312562058,GGA+U,Cmmm,A2B4C11D2_oC38_65_f_2g_ag2hp_j:Ba-Mn-O-Y,19.0,A2B4C11D2_oC38_65_f_2g_ag2hp_j:Ba-Mn-O-Y +mp-1215953,YMnCo,-7.65224263,-0.0733078965,0.0581591057,0.0581591057,GGA,Imma,ABC_oI12_74_a_c_e:Co-Mn-Y,6.0,ABC_oI12_74_a_c_e:Co-Mn-Y +mp-1274377,BaYMnCoO5,-8.0847666444,-2.5970752337,0.0374587991,0.0374587991,GGA+U,Pm,ABCD5E_mP18_6_2a_2b_2b_4a6b_2a:Ba-Co-Mn-O-Y,18.0,ABCD5E_oC36_38_e_2a_2a_2a4b2d_e:Ba-Co-Mn-O-Y +mp-1297861,BaYMnCoO5,-8.0765674328,-2.588876022,0.0456580107,0.0456580107,GGA+U,Cmm2,ABCD5E_oC36_35_c_ab_ab_ab2d2e_c:Ba-Co-Mn-O-Y,18.0,ABCD5E_oC36_35_c_ab_ab_ab2d2e_c:Ba-Co-Mn-O-Y +mp-1281144,BaYMnCoO5,-8.0821202306,-2.5944288198,0.040105213,0.040105213,GGA+U,Fmm2,ABCD5E_oF72_42_b_2a_2a_2a2c2d_b:Ba-Co-Mn-O-Y,18.0,ABCD5E_oF72_42_b_2a_2a_2a2c2d_b:Ba-Co-Mn-O-Y +mp-1227286,BaYMnCoO5,-8.0882146144,-2.6005232037,0.0340108291,0.0340108291,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Co-Mn-O-Y,18.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Co-Mn-O-Y +mp-1277516,BaYMnCoO5,-8.0903776856,-2.6026862748,0.031847758,0.031847758,GGA+U,I4mm,ABCD5E_tI36_107_b_2a_2a_2a2c_b:Ba-Co-Mn-O-Y,18.0,ABCD5E_tI36_107_b_2a_2a_2a2c_b:Ba-Co-Mn-O-Y +mp-42020,BaYMnCoO5,-8.0890603294,-2.6013689187,0.0331651141,0.0331651141,GGA+U,P4/nmm,ABCD5E_tP18_129_a_c_c_cj_b:Ba-Co-Mn-O-Y,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_c_c_2c2j_b:Ba-Co-Mn-O-Y, expected BaYMnCoO10 to be BaYMnCoO5" +mp-1188794,Y2Mn5Co12,-7.6109528868,-0.0297511907,0.0504462514,0.0504462514,GGA,R-3m,A12B5C2_hR57_166_fh_cd_c:Co-Mn-Y,19.0,A12B5C2_hR57_166_fh_cd_c:Co-Mn-Y +mp-1199104,Ba5Y8Mn4O21,-8.5697532713,-3.2577751737,0.0041430287,0.0041430287,GGA+U,I4/m,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Mn-O-Y,38.0,A5B4C21D8_tI76_87_ah_h_bh2i_2h:Ba-Mn-O-Y +mp-1048321,Ba2YMn3O7,-8.2138226177,-2.6432620140000003,0.0336685224,0.0336685224,GGA+U,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Mn-O-Y,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Mn-O-Y +mp-1290829,Ba2YMn3O7,-8.211342955,-2.6407823513,0.0361481851,0.0361481851,GGA+U,Cmmm,A2B3C7D_oC52_65_q_ab2g_2g2hip_f:Ba-Mn-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oC52_65_q_ab2g_3g4hip_f:Ba-Mn-O-Y, expected Ba2YMn3O10 to be Ba2YMn3O7" +mp-1290975,Ba2YMn3O7,-8.2130251115,-2.6424645078,0.0344660286,0.0344660286,GGA+U,Cmmm,A2B3C7D_oC52_65_m_abkl_gklno_f:Ba-Mn-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oC52_65_m_ab2kl_g2klno_f:Ba-Mn-O-Y, expected Ba2YMn4O8 to be Ba2YMn3O7" +mp-1275118,Ba2YMn3O7,-8.2132566304,-2.6426960267,0.0342345097,0.0342345097,GGA+U,Fmmm,A2B3C7D_oF104_69_j_ab2i_g2imn_f:Ba-Mn-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oF104_69_j_ab4i_g4imn_f:Ba-Mn-O-Y, expected Ba2YMn5O9 to be Ba2YMn3O7" +mp-1275514,Ba2YMn3O7,-8.2115368377,-2.640976234,0.0359543024,0.0359543024,GGA+U,Fmmm,A2B3C7D_oF104_69_j_ab2i_g2imn_f:Ba-Mn-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oF104_69_j_ab2i_g4imn_f:Ba-Mn-O-Y, expected Ba2YMn3O9 to be Ba2YMn3O7" +mp-1048366,BaYMn4O7,-8.5855764515,-2.4578588977,0.0845187862,0.0845187862,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Mn-O-Y,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Mn-O-Y +mp-1216254,Y(MnCo)6,-8.0100275885,-0.0032222319,0.0561207196,0.0561207196,GGA,Immm,A6B6C_oI26_71_fk_egh_a:Co-Mn-Y,13.0,A6B6C_oI26_71_fk_egh_a:Co-Mn-Y +mp-1216070,Y2Mn3Co,-7.87850425,0.0427133996,0.1236483481,0.1236483481,GGA,R-3m,AB3C2_hR18_166_a_d_c:Co-Mn-Y,6.0,AB3C2_hR18_166_a_d_c:Co-Mn-Y +mp-1041433,Ba2YMn3O8,-8.2044461757,-2.67844785,0.0083676631,0.0083676631,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Mn-O-Y,28.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_2b2g_egi_c:Ba-Mn-O-Y, expected Ba2YMn6O8 to be Ba2YMn3O8" +mp-1273532,Ba2YMn3O8,-8.1938652489,-2.6678669232,0.0189485899,0.0189485899,GGA+U,I4/mmm,A2B3C8D_tI56_139_g_3e_2efm_c:Ba-Mn-O-Y,28.0,"Invalid WP multiplicities - A2B3C8D_tI56_139_g_4e_3efm_c:Ba-Mn-O-Y, expected Ba2YMn4O9 to be Ba2YMn3O8" +mp-555455,BaYMn2O6,-8.3237527385,-2.684791848,0.0751344427,0.0751344427,GGA+U,C2/m,AB2C6D_mC40_12_i_j_gh2ij_i:Ba-Mn-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_mC40_12_i_j_2g2h3i3j_i:Ba-Mn-O-Y, expected BaYMn2O13 to be BaYMn2O6" +mp-18739,BaYMn2O6,-8.314498177,-2.6755372865,0.0843890042,0.0843890042,GGA+U,P2/c,AB2C6D_mP20_13_e_g_ef2g_f:Ba-Mn-O-Y,20.0,AB2C6D_mP20_13_e_g_ef2g_f:Ba-Mn-O-Y +mp-1189894,Y2MnCoO6,-8.734757563,-2.8464168049,0.0,-0.0086714856,GGA+U,P2_1/c,ABC6D2_mP20_14_a_d_3e_e:Co-Mn-O-Y,20.0,ABC6D2_mP20_14_a_b_3e_e:Co-Mn-O-Y +mp-18850,BaYMn2O5,-8.5082677233,-2.7923877018,0.0,-0.0084221625,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Y,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Mn-O-Y +mp-1182186,BaYMn2O5,-8.50184796,-2.7859679385,0.0064197633,-0.0020023991,GGA+U,P4/nmm,AB2C5D_tP18_129_a_2c_cj_b:Ba-Mn-O-Y,18.0,AB2C5D_tP18_129_a_2c_cj_b:Ba-Mn-O-Y +mp-1272925,BaYMn2O5,-8.496807365,-2.7809273435,0.0114603583,0.0030381959,GGA+U,I4/mmm,AB2C5D_tI36_139_d_2e_em_c:Ba-Mn-O-Y,18.0,AB2C5D_tI36_139_d_2e_em_c:Ba-Mn-O-Y +mp-1079798,Sn(CCl)2,-5.20123974,0.031555492,0.8729121335000001,0.8729121335000001,GGA,Imma,A2B2C_oI20_74_h_i_e:C-Cl-Sn,10.0,A2B2C_oI20_74_h_i_e:C-Cl-Sn +mp-721657,Sn(CCl)2,-5.291978051,-0.059182819,0.7821738225,0.7821738225,GGA,Imma,A2B2C_oI20_74_h_i_e:C-Cl-Sn,10.0,A2B2C_oI20_74_h_i_e:C-Cl-Sn +mp-1214363,C8Cl4O3,-7.0203485925,-0.6161128116,0.1290855282,0.1290855282,GGA,P2_1/c,A8B4C3_mP60_14_8e_4e_3e:C-Cl-O,60.0,A8B4C3_mP60_14_8e_4e_3e:C-Cl-O +mp-623924,MnC5ClO5,-7.685729855,-0.8617862741000001,0.5192434712,0.5192434712,GGA+U,Pnma,A5BCD5_oP48_62_c2d_c_c_c2d:C-Cl-Mn-O,48.0,"Invalid WP multiplicities - A5BCD5_oP48_62_4c10d_c_c_3c10d:C-Cl-Mn-O, expected MnC24ClO23 to be MnC5ClO5" +mp-1214194,C3Cl2O,-6.556114165,-0.5011544135,0.2090505197,0.2090505197,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:C-Cl-O,24.0,A3B2C_mP24_14_3e_2e_e:C-Cl-O +mp-1214619,C20Cl18O,-6.0204581022,-0.3078001934,0.1308392736,0.1308392736,GGA,P-1,A20B18C_aP78_2_20i_18i_i:C-Cl-O,78.0,A20B18C_aP78_2_20i_18i_i:C-Cl-O +mp-1196585,MnC4ClO4,-7.6232513853,-0.8520545085000001,0.5396295961,0.5396295961,GGA+U,P2_1/c,A4BCD4_mP80_14_8e_2e_2e_8e:C-Cl-Mn-O,80.0,A4BCD4_mP80_14_8e_2e_2e_8e:C-Cl-Mn-O +mp-699647,Mn2SnC9ClO9,-7.6914680572,-0.7932713784000001,0.6030483095,0.6030483095,GGA+U,P2_1/c,A9BC2D9E_mP88_14_9e_e_2e_9e_e:C-Cl-Mn-O-Sn,88.0,"Invalid WP multiplicities - A9BC2D9E_mP88_14_32e_e_6e_33e_e:C-Cl-Mn-O-Sn, expected Mn6SnC32ClO33 to be Mn2SnC9ClO9" +mp-637244,Mn2SnC10(ClO5)2,-7.5793256853,-0.8679569734,0.5308814758,0.5308814758,GGA+U,P2_1/c,A10B2C2D10E_mP100_14_10e_2e_2e_10e_e:C-Cl-Mn-O-Sn,100.0,"Invalid WP multiplicities - A10B2C2D10E_mP100_14_37e_6e_8e_38e_e:C-Cl-Mn-O-Sn, expected Mn8SnC37(Cl3O19)2 to be Mn2SnC10(ClO5)2" +mp-27727,CCl2O,-5.5187461769,-1.0506392959,0.0146681039,0.0146681039,GGA,I4_1/a,AB2C_tI64_88_f_2f_f:C-Cl-O,32.0,AB2C_tI64_88_f_2f_f:C-Cl-O +mp-729742,SnCCl3,-3.72635763,0.0304118355,1.1646895018,1.1646895018,GGA,Cm,AB3C_mC10_8_a_ab_a:C-Cl-Sn,5.0,AB3C_mC10_8_a_ab_a:C-Cl-Sn +mp-1068985,SnCCl3,-3.600492902,0.1562765635,1.2905542298,1.2905542298,GGA,R3m,AB3C_hR15_160_a_b_a:C-Cl-Sn,5.0,AB3C_hR15_160_a_b_a:C-Cl-Sn +mp-1068389,SnCCl3,-3.239736058,0.5170334075,1.6513110738,1.6513110738,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Cl-Sn,5.0,AB3C_cP5_221_a_c_b:C-Cl-Sn +mp-703273,KBaLiZnF6,-5.047876601,-3.2811851841,0.010198935,0.010198935,GGA,R3m,AB6CDE_hR150_160_5a_10b_5a_5a_5a:Ba-F-K-Li-Zn,50.0,"Invalid WP multiplicities - AB6CDE_hR150_160_5a_25b_5a_5a_5a:Ba-F-K-Li-Zn, expected KBaLiZnF15 to be KBaLiZnF6" +mp-1223441,KBaLiZnF6,-5.050690713,-3.2839992961,0.007384823,0.007384823,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-F-K-Li-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-F-K-Li-Zn +mp-1041246,CaAg3P3O13,-6.4805935738,-1.9280871409,0.0045481341,0.0045481341,GGA,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Ag-Ca-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Ag-Ca-O-P, expected CaAg5P3O34 to be CaAg3P3O13" +mp-12277,CaAgP,-4.1778788856,-0.7607260889,0.0,-0.0337409161,GGA,P-62m,ABC_hP9_189_f_g_bc:Ag-Ca-P,9.0,ABC_hP9_189_f_g_bc:Ag-Ca-P +mp-961647,CaAgP,-3.49469357,-0.0775407733,0.6831853156000001,0.6494443994,GGA,F-43m,ABC_cF12_216_a_c_b:Ag-Ca-P,3.0,ABC_cF12_216_a_c_b:Ag-Ca-P +mp-1202534,Ca10Ag(PO4)7,-7.5538633397,-3.2214947252,0.0,-0.0055970792,GGA,R3c,AB10C28D7_hR276_161_a_a3b_a9b_a2b:Ag-Ca-O-P,92.0,AB10C28D7_hR276_161_a_a3b_a9b_a2b:Ag-Ca-O-P +mp-1233488,CaAg4(PO3)4,-6.5116008452,-2.0187771093,0.1892179211,0.1892179211,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Ca-O-P,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Ca-O-P +mp-1043747,CaTiAg(PO4)3,-7.52891436,-2.6214799181,0.0592783561,0.0592783561,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ag-Ca-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ag-Ca-O-P-Ti, expected CaTiAg(PO18)3 to be CaTiAg(PO4)3" +mp-1214162,Ca3V3(NiO6)2,-7.7763742864,-2.5669214991,0.0163106981,0.0163106981,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ni-O-V,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Ni-O-V +mp-1233711,CaV4(NiO6)2,-7.9101875937,-2.1595685382,0.1715988893,0.1715988893,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Ca-Ni-O-V,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Ca-Ni-O-V +mp-1233707,CaV4(NiO6)2,-7.7932362632,-2.0426172076,0.2885502198,0.2885502198,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Ni-O-V,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_5_a_ab_12c_4c:Ca-Ni-O-V, expected CaV8(NiO12)2 to be CaV4(NiO6)2" +mp-1234325,CaV4(NiO6)2,-7.8353925247,-2.0847734692,0.2463939582,0.2463939582,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Ca-Ni-O-V,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_5_a_ab_12c_4c:Ca-Ni-O-V, expected CaV8(NiO12)2 to be CaV4(NiO6)2" +mp-705890,Ca2V3Ni2AgO12,-7.5494067805,-2.2986061871,0.0,-0.0049098428,GGA+U,I4_1/acd,AB2C2D12E3_tI160_142_b_e_c_3g_ae:Ag-Ca-Ni-O-V,80.0,"Invalid WP multiplicities - AB2C2D12E3_tI160_142_b_e_c_37g_3a4e:Ag-Ca-Ni-O-V, expected Ca2V11Ni2AgO148 to be Ca2V3Ni2AgO12" +mp-1226305,CoNi2(PO4)2,-7.4344785827,-2.121501209,0.0077461508,0.0077461508,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Co-Ni-O-P,26.0,AB2C8D2_mP26_4_a_2a_8a_2a:Co-Ni-O-P +mp-1043153,CaCoNiP2O9,-7.3383607245,-2.3211565981,0.0539550994,0.0539550994,GGA+U,Pm,ABCD9E2_mP56_6_2a2b_2a2b_2c_10a10b8c_4a4b:Ca-Co-Ni-O-P,56.0,"Invalid WP multiplicities - ABCD9E2_mP56_6_2a2b_2a2b_3c_10a10b16c_4a4b:Ca-Co-Ni-O-P, expected Ca2Co2Ni3(P2O13)2 to be CaCoNiP2O9" +mp-1047893,CaCo3P3O13,-7.4573157065,-2.2634450049,0.0368701285,0.0368701285,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Co-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Co-O-P, expected CaCo5P3O34 to be CaCo3P3O13" +mp-775307,Co3Ni(PO4)4,-7.3462518067,-2.0168634953,0.0654894512,0.0654894512,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Ni-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Ni-O-P +mp-540947,CoNi(PO3)4,-7.5630423753,-2.3462685399,0.0244403381,0.0244403381,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Co-Ni-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Co-Ni-O-P +mp-1333984,CaCo2(PO4)2,-7.6489427688,-2.5241466017,0.0267203911,0.0267203911,GGA+U,C2/c,AB2C8D2_mC104_15_f_cef_8f_2f:Ca-Co-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Ca-Co-O-P, expected Ca2Co7(PO5)12 to be CaCo2(PO4)2" +mp-765340,CoNi(PO4)2,-7.1854716092,-1.9114241776,0.1574120132,0.1574120132,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Co-Ni-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Co-Ni-O-P, expected CoNi(PO5)3 to be CoNi(PO4)2" +mp-1044185,CaCo2(PO5)2,-7.2296693227,-2.1286208163,0.1047432171,0.1047432171,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Co-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Co-O-P, expected CaCo2(PO18)2 to be CaCo2(PO5)2" +mp-18776,CaCoP2O7,-7.6894225541,-2.728754948,0.0083395792,0.0083395792,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Co-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_8i_2i:Ca-Co-O-P, expected CaCo(PO4)2 to be CaCoP2O7" +mp-1041999,CaCoP2O7,-7.687491487,-2.7268238809,0.0102706462,0.0102706462,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Co-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Co-O-P +mp-1048376,CaCoP2O7,-7.6756784373,-2.7150108312,0.022083696,0.022083696,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Co-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Co-O-P, expected CaCoP7O23 to be CaCoP2O7" +mp-780573,Ca9Co(PO4)7,-7.6440860973,-3.1649945823,0.0044822317,0.0044822317,GGA+U,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Co-O-P,90.0,"Invalid WP multiplicities - A9BC28D7_hR270_161_15b_a_a50b_a9b:Ca-Co-O-P, expected Ca45CoP28O151 to be Ca9Co(PO4)7" +mp-1228767,Ca19Co2(PO4)14,-7.6565375544,-3.2046272661,0.0113030897,0.0113030897,GGA+U,R3,A19B2C56D14_hR273_146_a6b_2a_2a18b_2a4b:Ca-Co-O-P,91.0,A19B2C56D14_hR273_146_a6b_2a_2a18b_2a4b:Ca-Co-O-P +mp-1376041,CaCo2(P2O7)2,-7.5239522029,-2.422567086,0.0506905332,0.0506905332,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Co-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Co-O-P +mp-3210,Ca(CoP)2,-6.264203378,-0.8544352813,0.0,-0.0535998097,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Co-P,5.0,AB2C2_tI10_139_a_d_e:Ca-Co-P +mp-16803,CaCo3(P2O7)2,-7.6905606952,-2.4979513657,0.0003903528,0.0003903528,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Co-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Co-O-P +mp-10923,Ca2Co12P7,-6.7616261938,-0.7042866297,0.0,-0.0731264675,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Ca-Co-P,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_2j3k_e2jk:Ca-Co-P, expected Ca2(Co3P2)5 to be Ca2Co12P7" +mp-1045787,CaCo(PO3)4,-7.6981176992,-2.6910403527,0.0,-0.0179794103,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Co-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Co-O-P +mp-619651,Cs3AlP2,-3.3172355287,-0.4408375355,0.0,-0.1096379954,GGA,P2_1/c,AB3C2_mP48_14_2e_6e_4e:Al-Cs-P,48.0,"Invalid WP multiplicities - AB3C2_mP48_14_5e_22e_14e:Al-Cs-P, expected Cs22Al5P14 to be Cs3AlP2" +mp-558602,CsAl3(P3O10)2,-7.7155235713,-2.9306662671,0.0,-0.0005660386,GGA,Aea2,A3BC20D6_oC120_41_ab_a_10b_3b:Al-Cs-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_41_2a3b_a_37b_11b:Al-Cs-O-P, expected CsAl8(P11O37)2 to be CsAl3(P3O10)2" +mp-1019720,CsZr2Al(PO4)4,-8.2768849303,-3.1711928941,0.0,-0.0043070266,GGA,Pbcm,ABC16D4E2_oP96_57_d_d_2d7e_cde_e:Al-Cs-O-P-Zr,96.0,ABC16D4E2_oP96_57_d_d_2d7e_cde_e:Al-Cs-O-P-Zr +mp-560387,Cs2Al2P2O9,-7.302938568,-2.9943545801,0.0,-0.0603523343,GGA,P-1,A2B2C9D2_aP15_2_i_i_a4i_i:Al-Cs-O-P,15.0,"Invalid WP multiplicities - A2B2C9D2_aP15_2_i_i_a8i_i:Al-Cs-O-P, expected Cs2Al2P2O17 to be Cs2Al2P2O9" +mp-542656,Cs2AlP3O10,-7.309600342299999,-2.8569018919,0.0,-0.0127242945,GGA,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Al-Cs-O-P,64.0,AB2C10D3_mP64_14_e_2e_10e_3e:Al-Cs-O-P +mp-560091,CsZr2(PO4)3,-8.3814635411,-3.1819648918,0.0,-0.055961254,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Cs-O-P-Zr,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_19f_e_c:Cs-O-P-Zr, expected CsZr2(PO38)3 to be CsZr2(PO4)3" +mp-669427,RbCuPO4,-6.4665098536,-2.1408244115,0.0428610723,0.0428610723,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Cu-O-P-Rb,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_13a_a_a:Cu-O-P-Rb, expected RbCuPO13 to be RbCuPO4" +mp-1198918,Rb2Cu3(P2O7)2,-6.8095339867,-2.2371191981,0.0,-0.0161933488,GGA,P2_1/c,A3B14C4D2_mP46_14_ae_7e_2e_e:Cu-O-P-Rb,46.0,A3B14C4D2_mP46_14_ae_7e_2e_e:Cu-O-P-Rb +mp-1209760,RbCu(PO3)3,-7.1045122563,-2.401666066,0.0,-0.0085418029,GGA,P2_1/c,AB9C3D_mP56_14_ac_9e_3e_e:Cu-O-P-Rb,56.0,AB9C3D_mP56_14_ac_9e_3e_e:Cu-O-P-Rb +mp-1197774,RbFeCu(PO4)2,-7.2033661017,-2.2841448205,0.0062895098,0.0062895098,GGA+U,P2_1/c,ABC8D2E_mP52_14_e_e_8e_2e_e:Cu-Fe-O-P-Rb,52.0,ABC8D2E_mP52_14_e_e_8e_2e_e:Cu-Fe-O-P-Rb +mp-1201530,BaNa6Th(CO4)6,-6.7534205787,-1.7176177635,0.2524332444,0.2524332444,GGA,R-3,AB6C6D24E_hR114_148_a_f_f_4f_b:Ba-C-Na-O-Th,38.0,AB6C6D24E_hR114_148_a_f_f_4f_b:Ba-C-Na-O-Th +mp-1214668,Ba3Na3(CO3)5,-7.3784114658,-2.3757899722,0.0,-0.0034138926,GGA,P6_3mc,A3B5C3D15_hP52_186_c_abc_c_3cd:Ba-C-Na-O,52.0,A3B5C3D15_hP52_186_c_abc_c_3cd:Ba-C-Na-O +mp-1044354,CaTiMo(PO4)3,-8.2671140028,-2.914507666,0.0,-0.0022303212,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Mo-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Mo-O-P-Ti, expected CaTiMo(PO18)3 to be CaTiMo(PO4)3" +mp-1046096,SrMgTi(PO4)2,-7.7340400919,-2.9967031517,0.1518907653,0.1518907653,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mg-O-P-Sr-Ti,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Mg-O-P-Sr-Ti, expected SrMgTi(PO7)2 to be SrMgTi(PO4)2" +mp-18469,SrMgP2O7,-7.5538374989,-3.1226375447,0.0,-0.0104067908,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mg-O-P-Sr,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_7e_5e_e:Mg-O-P-Sr, expected SrMgP5O7 to be SrMgP2O7" +mp-1218826,Sr7Mg8(P4O15)3,-7.4812212345,-3.1452585031,0.0149930968,0.0149930968,GGA,C2/m,A8B45C12D7_mC288_12_ac3g4h_3i21j_2i5j_g3j:Mg-O-P-Sr,144.0,"Invalid WP multiplicities - A8B45C12D7_mC288_12_ad6g7h_6i78j_4i16j_g12j:Mg-O-P-Sr, expected Sr25Mg14(P2O9)18 to be Sr7Mg8(P4O15)3" +mp-1013535,Sr3SbP,-3.245869344,-0.3237125227,0.7330771138000001,0.7330771138000001,GGA,Pm-3m,ABC3_cP5_221_a_b_c:P-Sb-Sr,5.0,ABC3_cP5_221_a_b_c:P-Sb-Sr +mp-1013588,Sr3SbP,-3.882774534,-0.9606177127,0.0961719238,0.0961719238,GGA,Pm-3m,ABC3_cP5_221_b_a_c:P-Sb-Sr,5.0,ABC3_cP5_221_b_a_c:P-Sb-Sr +mp-1046188,SrSb(PO4)2,-7.3147392521,-2.6298551357,0.1019062601,0.1019062601,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sb-Sr,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sb-Sr, expected SrSb(PO7)2 to be SrSb(PO4)2" +mp-1218841,Sr2Fe3Sb(PO4)6,-7.7146931314,-2.6002932456,0.0003846911,0.0003846911,GGA+U,R3,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Sb-Sr,36.0,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Sb-Sr +mp-2217875,MgMn2FeWO6,-8.4709356273,-2.0134270508,0.1184393293,0.1184393293,GGA+U,P1,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W,11.0,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W +mp-2217930,MgMn2FeWO6,-8.4469406255,-1.9894320489,0.1424343311,0.1424343311,GGA+U,P1,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W,11.0,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W +mp-2217693,MgMn2FeWO6,-8.4202609873,-1.9627524108,0.1691139693,0.1691139693,GGA+U,P1,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W,11.0,ABC2D6E_aP11_1_a_a_2a_6a_a:Fe-Mg-Mn-O-W +mp-1078277,Mn2FeWO6,-8.946442011,-2.0032105818,0.0258158288,0.0258158288,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-W,10.0,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-W +mp-1190858,BaFe2(P2O7)2,-7.8681546229,-2.6412084636,0.0,-0.0281976794,GGA+U,P-1,AB2C14D4_aP21_2_a_i_7i_2i:Ba-Fe-O-P,42.0,AB2C14D4_aP21_2_a_i_7i_2i:Ba-Fe-O-P +mp-558732,BaFe2(P2O7)2,-7.8552988107,-2.6283526515,0.0128558121,-0.0153418673,GGA+U,C2/c,AB2C14D4_mC84_15_c_ae_7f_2f:Ba-Fe-O-P,42.0,"Invalid WP multiplicities - AB2C14D4_mC84_15_a_ce_27f_4f:Ba-Fe-O-P, expected BaFe2(P4O27)2 to be BaFe2(P2O7)2" +mp-705895,BaNb2Fe2(PO4)6,-8.1965283681,-2.7604720381,0.0,-0.0034351806,GGA+U,P2_1/c,AB2C2D24E6_mP70_14_a_e_e_12e_3e:Ba-Fe-Nb-O-P,70.0,"Invalid WP multiplicities - AB2C2D24E6_mP70_14_a_e_e_45e_9e:Ba-Fe-Nb-O-P, expected BaNb2Fe2(PO5)18 to be BaNb2Fe2(PO4)6" +mp-1228111,BaNb2Fe2(PO4)6,-8.1783848123,-2.7423284823,0.0181435559,0.0147083753,GGA+U,R3,AB2C2D24E6_hR105_146_a_2a_2a_8b_2b:Ba-Fe-Nb-O-P,35.0,AB2C2D24E6_hR105_146_a_2a_2a_8b_2b:Ba-Fe-Nb-O-P +mp-1105162,BaFe2(PO4)2,-7.9560701862,-2.6284446428,0.0081913281,0.0013999164,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Ba-Fe-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_aP13_2_a_i_7i_i:Ba-Fe-O-P, expected BaFe2(PO7)2 to be BaFe2(PO4)2" +mp-1286142,BaFe2(PO4)2,-7.9638812242,-2.6362556809,0.00038029,-0.0064111217,GGA+U,P-1,AB2C8D2_aP26_2_i_2i_8i_2i:Ba-Fe-O-P,26.0,AB2C8D2_aP26_1_2a_4a_16a_4a:Ba-Fe-O-P +mp-1103865,BaFe2(PO4)2,-7.9642615142,-2.6366359709,0.0,-0.0067914117,GGA+U,R-3,AB2C8D2_hR39_148_a_c_cf_c:Ba-Fe-O-P,26.0,AB2C8D2_hR39_148_a_c_cf_c:Ba-Fe-O-P +mp-1196377,Ba2Fe3(P2O9)2,-7.5646370056,-2.3816140301,0.1280556152,0.1280556152,GGA+U,Pbca,A2B3C18D4_oP108_61_c_ac_9c_2c:Ba-Fe-O-P,108.0,A2B3C18D4_oP108_61_c_ac_9c_2c:Ba-Fe-O-P +mp-1194498,BaFe3(PO4)3,-7.9814704192,-2.5641435442,0.0,-0.0164698432,GGA+U,Imma,AB3C12D3_oI76_74_e_ag_hi2j_eg:Ba-Fe-O-P,38.0,AB3C12D3_oI76_74_e_ag_hi2j_eg:Ba-Fe-O-P +mp-1192521,Na5Nd4Si4O16F,-7.5541918263,-3.2726922708,0.0,-0.0050160856,GGA,I-4,AB5C4D16E4_tI60_82_a_bg_g_4g_g:F-Na-Nd-O-Si,30.0,AB5C4D16E4_tI60_82_a_bg_g_4g_g:F-Na-Nd-O-Si +mp-1214659,Ba2V2FeO9,-7.9116924229,-2.5548365921,0.0470550688,0.0470550688,GGA+U,P2_1/m,A2BC9D2_mP28_11_2e_a_5e2f_2e:Ba-Fe-O-V,28.0,A2BC9D2_mP28_11_2e_a_5e2f_2e:Ba-Fe-O-V +mp-2223880,Ba2MgVFeO6,-7.2704895482,-2.4820995957,0.2567686974,0.2567686974,GGA+U,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Fe-Mg-O-V,11.0,A2BCD6E_mC22_12_i_a_b_ij_c:Ba-Fe-Mg-O-V +mp-1096783,Ba2VFeO6,-7.67677216,-2.5695712172,0.1246678255,0.1246678255,GGA+U,P6_3/mmc,A2BC6D_hP40_194_acf_e_ghk_f:Ba-Fe-O-V,40.0,A2BC6D_hP40_194_acf_e_ghk_f:Ba-Fe-O-V +mp-1096778,Ba2VFeO6,-5.52943243,-0.4222314873,2.2720075555,2.2720075555,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Ba-Fe-O-V,10.0,A2BC6D_cF40_225_c_a_d_b:Ba-Fe-O-V +mp-1096782,Ba2VFeO6,-7.700649733,-2.5934487903,0.1007902525,0.1007902525,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-V +mp-1178412,CrCo(PO4)2,-7.8768728029,-2.2800828056,0.0665432521,0.0665432521,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Co-Cr-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Co-Cr-O-P, expected CrCo(PO5)3 to be CrCo(PO4)2" +mp-774666,Cr3Co(PO4)4,-8.1304567488,-2.4276363483,0.0443678871,0.0443678871,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Cr-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Cr-O-P +mp-1102834,CrCoP,-7.9623316833,-0.5707757594,0.0,-0.1061245529,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Cr-P,12.0,ABC_oP12_62_c_c_c:Co-Cr-P +mp-17223,Cr4Co3(PO4)6,-8.1434809678,-2.4370623901,0.0076687355,0.0076687355,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Co-Cr-O-P,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_4i_14i_3i:Co-Cr-O-P, expected Cr8Co3(P3O14)2 to be Cr4Co3(PO4)6" +mp-758226,CrFe3Co2(PO4)6,-7.8124213231,-2.2435299119,0.0556562617,0.0556562617,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Co-Cr-Fe-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_20b_2b:Co-Cr-Fe-O-P, expected CrFe3Co2(PO10)6 to be CrFe3Co2(PO4)6" +mp-1226398,Cr2CoP3,-7.649227085,-0.5401737092000001,0.0134706021,0.0134706021,GGA,Pm,AB2C3_mP24_6_4a_2a6b_6a6b:Co-Cr-P,24.0,AB2C3_mP24_6_4a_2a6b_6a6b:Co-Cr-P +mp-776058,Cr2Fe3Co(PO4)6,-7.9629362211,-2.3233578746,0.0594137508,0.0594137508,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Co-Cr-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_22b_2b:Co-Cr-Fe-O-P, expected Cr2Fe3Co(PO11)6 to be Cr2Fe3Co(PO4)6" +mp-757861,Cr3Co(PO4)6,-7.711077895,-2.2032012975,0.0855525425,0.0855525425,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Co-Cr-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_18b_2b:Co-Cr-O-P, expected Cr3Co(PO9)6 to be Cr3Co(PO4)6" +mp-775991,CrCo3(PO4)4,-7.6570337642,-2.1662741699,0.05497371,0.05497371,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Cr-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Cr-O-P +mp-752993,Li4Mn3Ni3(WO8)2,-7.6022035407,-1.9762954256,0.0292797842,0.0292797842,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-W,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-W, expected Li4Mn3Ni3(WO10)2 to be Li4Mn3Ni3(WO8)2" +mp-1043054,TiZnNiP2O9,-7.5687610504,-2.5486056417,0.0579590574,0.0579590574,GGA+U,Pnma,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-Ti-Zn,56.0,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-Ti-Zn +mp-1044366,TiZnNi(PO4)3,-7.5179653292,-2.4882128646,0.063068142,0.063068142,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ni-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ni-O-P-Ti-Zn, expected TiZnNi(PO18)3 to be TiZnNi(PO4)3" +mp-1216672,TiZnNi2,-5.5329680025,-0.3540907558,0.0478022075,0.0344885921,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ni-Ti-Zn,4.0,A2BC_tP4_123_h_a_b:Ni-Ti-Zn +mp-865093,TiZnNi2,-5.58077021,-0.4018929633,0.0,-0.0133136154,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ni-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Ni-Ti-Zn +mp-1197991,Al2Fe(PO8)2,-6.3770980362,-1.3325838808,0.6545314697,0.6545314697,GGA+U,P-1,A2BC16D2_aP42_2_cdi_ab_16i_2i:Al-Fe-O-P,42.0,A2BC16D2_aP42_2_cdi_ab_16i_2i:Al-Fe-O-P +mp-2218220,MgFe3PO7,-7.6505817667,-2.0630428362,0.1860477135,0.1860477135,GGA+U,P1,A3BC7D_aP12_1_3a_a_7a_a:Fe-Mg-O-P,12.0,A3BC7D_aP12_1_3a_a_7a_a:Fe-Mg-O-P +mp-2218198,MgFe3PO7,-7.6468062575,-2.059267327,0.1898232226,0.1898232226,GGA+U,Cm,A3BC7D_mC24_8_ab_a_3a2b_a:Fe-Mg-O-P,12.0,"Invalid WP multiplicities - A3BC7D_mC24_8_a2b_a_3a2b_a:Fe-Mg-O-P, expected MgFe5PO7 to be MgFe3PO7" +mp-2218150,MgFe3PO7,-7.6307602242,-2.0432212937,0.205869256,0.205869256,GGA+U,Cm,A3BC7D_mC24_8_ab_a_3a2b_a:Fe-Mg-O-P,12.0,"Invalid WP multiplicities - A3BC7D_mC24_8_ab_a_3a3b_a:Fe-Mg-O-P, expected MgFe3PO9 to be MgFe3PO7" +mp-1445676,MgFePO5,-7.5466922406,-2.5195613253,0.0809682281,0.0809682281,GGA+U,P1,ABC5D_aP16_1_2a_2a_10a_2a:Fe-Mg-O-P,16.0,"Invalid WP multiplicities - ABC5D_mC32_9_a_a_7a_a:Fe-Mg-O-P, expected MgFePO7 to be MgFePO5" +mp-6596,MgAlPO5,-7.5959410616,-3.1593658187,0.0,-0.0040362405,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Al-Mg-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Al-Mg-O-P +mp-555548,MgAlPO5,-7.5918558097,-3.1552805668,0.0040852519,4.90114e-05,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Al-Mg-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_16e_e:Al-Mg-O-P, expected MgAlPO16 to be MgAlPO5" +mp-1041009,MgFe2P2O9,-7.7215424952,-2.4438906463,0.042982702,0.042982702,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Fe-Mg-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Fe-Mg-O-P, expected MgFe2P2O11 to be MgFe2P2O9" +mp-1210822,Mg2Al4Fe(PO6)4,-7.1553057449,-2.3831164955,0.2619394776,0.2619394776,GGA+U,P-1,A4BC2D24E4_aP35_2_bci_a_i_12i_2i:Al-Fe-Mg-O-P,35.0,A4BC2D24E4_aP35_2_bci_a_i_12i_2i:Al-Fe-Mg-O-P +mp-2224471,MgFe4(PO3)12,-7.724178147,-2.4690689286,0.0725910244,0.0725910244,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P +mp-2224860,MgFe4(PO3)12,-7.7349182377,-2.4798090193,0.0618509337,0.0618509337,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P +mp-2224681,MgFe4(PO3)12,-7.7410938309,-2.4859846125,0.0556753405,0.0556753405,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P +mp-2236358,MgFe4(PO3)12,-7.741377106,-2.4862678876,0.0553920654,0.0553920654,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P +mp-2234300,MgFe4(PO3)12,-7.7629205481,-2.5078113297,0.0338486233,0.0338486233,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Fe-Mg-O-P +mp-1041464,MgFe3P3O13,-7.7704786833,-2.3926184609,0.0487924052,0.0487924052,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Fe-Mg-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Fe-Mg-O-P, expected MgFe5P3O34 to be MgFe3P3O13" +mp-1259854,Al2Fe3(PO5)3,-7.8004646668,-2.4377927765000003,0.1713832945,0.1713832945,GGA+U,P2_1/c,A2B3C15D3_mP92_14_2e_3e_15e_3e:Al-Fe-O-P,92.0,"Invalid WP multiplicities - A2B3C15D3_mP92_14_6e_11e_55e_12e:Al-Fe-O-P, expected Al6Fe11P12O55 to be Al2Fe3(PO5)3" +mp-2217346,MgFeP2O7,-7.6312510318,-2.5836394634,0.1004305707,0.0965529968,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Fe-Mg-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Fe-Mg-O-P +mp-1368593,MgFeP2O7,-7.7098072323,-2.6621956639,0.0218743702,0.0179967964,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Fe-Mg-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Fe-Mg-O-P +mp-1042037,MgFeP2O7,-7.7316816025,-2.6840700341,0.0,-0.0038775739,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Fe-Mg-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Fe-Mg-O-P +mp-2217976,MgFeP2O7,-7.4809250782,-2.4333135098,0.2507565243,0.2468789505,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Fe-Mg-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Fe-Mg-O-P, expected MgFeP2O11 to be MgFeP2O7" +mp-1048269,MgFeP2O7,-7.4975070498,-2.4498954814,0.2341745527,0.2302969789,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Mg-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Fe-Mg-O-P, expected MgFeP7O23 to be MgFeP2O7" +mp-1229078,Al2Fe(PO4)3,-7.9410050156,-2.8542636308,0.0052794794,0.0052794794,GGA+U,P1,A2BC12D3_aP36_1_4a_2a_24a_6a:Al-Fe-O-P,36.0,A2BC12D3_aP36_1_4a_2a_24a_6a:Al-Fe-O-P +mp-1043946,MgFe3(P2O7)2,-7.8409036718,-2.4810311416,0.0479028808,0.0479028808,GGA+U,P2_1/c,A3BC14D4_mP44_14_ae_b_7e_2e:Fe-Mg-O-P,44.0,A3BC14D4_mP44_14_ae_b_7e_2e:Fe-Mg-O-P +mp-1233870,MgFe4(PO4)4,-7.8297871532,-2.3785633813,0.0701829795,0.0701829795,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-1234013,MgFe4(PO4)4,-7.807532886,-2.3563091141,0.0924372467,0.0924372467,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-1234799,MgFe4(PO4)4,-7.8326140988,-2.3813903269,0.0673560339,0.0673560339,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-1234863,MgFe4(PO4)4,-7.814249635999999,-2.3630258641,0.0857204967,0.0857204967,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-2234874,MgFe4(PO4)4,-7.84551922,-2.3942954481,0.0544509127,0.0544509127,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-2237270,MgFe4(PO4)4,-7.8235225364,-2.3722987645,0.0764475963,0.0764475963,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Mg-O-P +mp-1234984,MgFe4(PO4)4,-7.8299338064,-2.3787100345,0.0700363263,0.0700363263,GGA+U,P-1,A4BC16D4_aP25_2_2i_a_8i_2i:Fe-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_aP25_2_3i_a_15i_3i:Fe-Mg-O-P, expected MgFe6(PO5)6 to be MgFe4(PO4)4" +mp-2234827,MgFe4(PO4)4,-7.8459552416,-2.3947314697,0.0540148911,0.0540148911,GGA+U,P-1,A4BC16D4_aP25_2_2i_a_8i_2i:Fe-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_aP25_2_3i_a_14i_3i:Fe-Mg-O-P, expected MgFe6(P3O14)2 to be MgFe4(PO4)4" +mp-2224308,MgFe4(PO4)4,-7.83414217,-2.3829183981,0.0658279627,0.0658279627,GGA+U,Pm,A4BC16D4_mP25_6_2a2b_a_4a4b4c_2a2b:Fe-Mg-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_6_2a2b_a_4a4b6c_2a2b:Fe-Mg-O-P, expected MgFe4(PO5)4 to be MgFe4(PO4)4" +mp-1202735,Al2Fe(PO9)2,-6.1868041674,-1.1507965724,0.6635261389,0.6635261389,GGA+U,P2_1/c,A2BC18D2_mP46_14_e_a_9e_e:Al-Fe-O-P,46.0,A2BC18D2_mP46_14_e_a_9e_e:Al-Fe-O-P +mp-1194286,MgAl2(PO5)2,-7.4270551363,-2.8013935473,0.1421838606,0.1421838606,GGA,P2_1/c,A2BC10D2_mP30_14_e_a_5e_e:Al-Mg-O-P,30.0,A2BC10D2_mP30_14_e_a_5e_e:Al-Mg-O-P +mp-2230031,MgFe3(PO4)3,-7.8045647821,-2.4040113224,0.0805501814,0.0805501814,GGA+U,P1,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P,19.0,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P +mp-2230772,MgFe3(PO4)3,-7.7961750137,-2.3956215539,0.0889399498,0.0889399498,GGA+U,P1,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P,19.0,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P +mp-2231540,MgFe3(PO4)3,-7.7848026268,-2.3842491671,0.1003123367,0.1003123367,GGA+U,P1,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P,19.0,"Invalid WP multiplicities - A3BC12D3_mC38_5_bc_a_12c_ac:Fe-Mg-O-P, expected MgFe3(PO8)3 to be MgFe3(PO4)3" +mp-2228327,MgFe3(PO4)3,-7.7957962463,-2.3952427866,0.0893187172,0.0893187172,GGA+U,P2,A3BC12D3_mP19_3_abc_d_6e_abc:Fe-Mg-O-P,19.0,"Invalid WP multiplicities - A3BC12D3_mP19_3_abc_d_10e_abc:Fe-Mg-O-P, expected MgFe3P3O20 to be MgFe3(PO4)3" +mp-2230171,MgFe3(PO4)3,-7.7627101047,-2.362156645,0.1224048588,0.1224048588,GGA+U,P2,A3BC12D3_mP19_3_abc_d_6e_abc:Fe-Mg-O-P,19.0,"Invalid WP multiplicities - A3BC12D3_mP19_3_abc_d_10e_abc:Fe-Mg-O-P, expected MgFe3P3O20 to be MgFe3(PO4)3" +mp-2230358,MgFe3(PO4)3,-7.7607978432,-2.3602443834,0.1243171204,0.1243171204,GGA+U,P2,A3BC12D3_mP19_3_abc_c_6e_abc:Fe-Mg-O-P,19.0,A3BC12D3_aP19_1_3a_a_12a_3a:Fe-Mg-O-P +mp-2230850,MgFe3(PO4)3,-7.7845060789,-2.3839526192,0.1006088846,0.1006088846,GGA+U,C2,A3BC12D3_mC38_5_bc_a_6c_ac:Fe-Mg-O-P,19.0,"Invalid WP multiplicities - A3BC12D3_mC38_5_bc_a_12c_ac:Fe-Mg-O-P, expected MgFe3(PO8)3 to be MgFe3(PO4)3" +mp-17477,AlFePO5,-8.0470451153,-2.7517522274,0.0,-0.0126551392,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Al-Fe-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Al-Fe-O-P +mp-2210710,MgFePO4,-7.3200219114,-2.2813992526,0.3277480085,0.3277480085,GGA+U,I-4,ABC4D_tI14_82_a_b_g_c:Fe-Mg-O-P,7.0,ABC4D_tI14_82_a_b_g_c:Fe-Mg-O-P +mp-1222232,MgAl2(PO4)3,-7.6366994328,-2.9316103347,0.0620570842,0.0620570842,GGA,Cc,A2BC12D3_mC72_9_2a_a_12a_3a:Al-Mg-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_9_4a_a_24a_5a:Al-Mg-O-P, expected MgAl4P5O24 to be MgAl2(PO4)3" +mp-1222215,Mg3Fe3(PO4)4,-7.7185780935,-2.6796883555,0.0019554821,0.0019554821,GGA+U,P1,A3B3C16D4_aP26_1_3a_3a_16a_4a:Fe-Mg-O-P,26.0,A3B3C16D4_aP26_1_3a_3a_16a_4a:Fe-Mg-O-P +mp-1045790,MgFe(PO3)4,-7.7254966367,-2.6652868688,0.0,-0.0034965347,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Fe-Mg-O-P,36.0,ABC12D4_mC72_15_c_e_6f_2f:Fe-Mg-O-P +mp-2218554,MgFe2(PO4)2,-7.8000156423,-2.4969050905,0.0565316882,0.0565316882,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-P,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Mg-O-P +mp-1041045,MgFe2(PO4)2,-7.8037067373,-2.5005961855,0.0528405932,0.0528405932,GGA+U,C2/c,A2BC8D2_mC104_15_cef_f_8f_2f:Fe-Mg-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mC104_15_2ce2f_f_30f_6f:Fe-Mg-O-P, expected Mg2Fe7(PO5)12 to be MgFe2(PO4)2" +mp-1044012,MgFe2(PO5)2,-7.4089480453,-2.1533604056,0.1677213861,0.1677213861,GGA+U,Fddd,A2BC10D2_oF120_70_c_b_e2h_e:Fe-Mg-O-P,30.0,"Invalid WP multiplicities - A2BC10D2_oF120_70_c_b_2e8h_e:Fe-Mg-O-P, expected MgFe2(PO18)2 to be MgFe2(PO5)2" +mp-1185689,Mg16Al12P,-2.6255221538,-0.0060499722,0.0754066642,0.0754066642,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-P,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_5b4c_a8b6c_a:Al-Mg-P, expected Mg61Al39P to be Mg16Al12P" +mp-1222242,MgAl8Fe3(PO5)8,-7.667227568699999,-2.6980789216,0.1242865483,0.1242865483,GGA+U,P-1,A8B3CD40E8_aP60_2_4i_bi_d_20i_4i:Al-Fe-Mg-O-P,60.0,"Invalid WP multiplicities - A8B3CD40E8_aP60_2_8i_bi_d_40i_8i:Al-Fe-Mg-O-P, expected MgAl16Fe3(PO5)16 to be MgAl8Fe3(PO5)8" +mp-632282,NaHF2,-4.4185255325,-2.2839732141,0.19061428,0.0481140075,GGA,C2,A2BC_mC8_5_c_a_b:F-H-Na,4.0,A2BC_mC8_5_c_a_b:F-H-Na +mp-1179886,NaHF2,-4.5377130525,-2.4031607341,0.07142676,-0.0710735125,GGA,C2,A2BC_mC8_5_c_a_b:F-H-Na,4.0,A2BC_mC8_5_c_a_b:F-H-Na +mp-27837,NaHF2,-4.6091398125000005,-2.4745874941,0.0,-0.1425002725,GGA,R-3m,A2BC_hR12_166_c_a_b:F-H-Na,4.0,A2BC_hR12_166_c_a_b:F-H-Na +mp-37458,Na2HF4,-4.2467597486,-2.291946534,0.0,-0.0383212361,GGA,P2/m,A4BC2_mP7_10_mn_a_ce:F-H-Na,7.0,"Invalid WP multiplicities - A4BC2_mP7_10_m2n_c_ae:F-H-Na, expected Na2HF6 to be Na2HF4" +mp-562542,Cs4NaHf3H2F19,-6.2208576393,-3.5353661102,0.0,-0.018567801,GGA,P2_1/m,A4B19C2D3E_mP58_11_4e_9e5f_2e_3e_e:Cs-F-H-Hf-Na,58.0,"Invalid WP multiplicities - A4B19C2D3E_mP58_11_6e_17e20f_4e_6e_e:Cs-F-H-Hf-Na, expected Cs6NaHf6H4F57 to be Cs4NaHf3H2F19" +mp-722281,Pb(NCl3)2,-2.8569099856,0.6405185567,1.2558330528,1.2558330528,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-N-Pb,9.0,A6B2C_cF36_225_e_c_a:Cl-N-Pb +mp-1193131,Cs2PbN2(ClO3)2,-5.7449983938,-1.471640913,0.0,-0.0130283112,GGA,I4_1/amd,A2B2C2D6E_tI52_141_e_e_e_eh_a:Cl-Cs-N-O-Pb,26.0,A2B2C2D6E_tI52_141_e_e_e_eh_a:Cl-Cs-N-O-Pb +mp-725881,Pb2NCl5,-3.6305838934,-0.5050248478,0.7191194584,0.7191194584,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-N-Pb,32.0,A5BC2_mP32_14_5e_e_2e:Cl-N-Pb +mp-1199668,K2EuNb5O15,-8.9653754893,-3.0008252475,0.0177115079,0.0177115079,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Eu-K-Nb-O,46.0,AB2C5D15_tP46_127_a_g_cj_dhi2j:Eu-K-Nb-O +mp-1523183,KEuNb2O6,-9.160642354,-3.0356280445,0.0,-0.031811011,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Eu-K-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Eu-K-Nb-O +mp-1522233,KNb2InO6,-7.950977483,-2.5764949805,0.1033267749,0.1033267749,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:In-K-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:In-K-Nb-O +mp-1523239,KEuNb4O12,-9.1527784633,-2.9787292721,0.0792107761,0.0792107761,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Eu-K-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Eu-K-Nb-O, expected KEuNb4O18 to be KEuNb4O12" +mp-1518309,KEuNbInO6,-7.959137244,-2.5690850655,0.1552068509,0.1552068509,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Eu-In-K-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Eu-In-K-Nb-O +mp-1522445,KNb4InO12,-8.5039656944,-2.7468786182,0.1213326958,0.1213326958,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:In-K-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:In-K-Nb-O, expected KNb4InO18 to be KNb4InO12" +mp-1522348,KPrHf4O12,-9.0390558894,-3.2012600363,0.1627208969,0.1627208969,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Hf-K-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Hf-K-O-Pr, expected KPrHf4O18 to be KPrHf4O12" +mp-1522216,KPrHf2O6,-9.106518649,-3.557937146,0.0727419414,0.0727419414,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Hf-K-O-Pr,10.0,A2BC6D_cF40_225_c_a_d_b:Hf-K-O-Pr +mp-1522191,KTbPrNbO6,-8.193309398,-3.162598587,0.1959948904,0.1959948904,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Tb,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Tb +mp-1211773,K2TbNb5O15,-8.7917359574,-3.0716481373,0.0443745463,0.0443745463,GGA,P4/mbm,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Tb,46.0,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Tb +mp-1518110,SrEuYCoO6,-8.131959583,-2.6118179401,0.1804617298,0.1804617298,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Co-Eu-O-Sr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Co-Eu-O-Sr-Y +mp-571526,Rb2PtC4(BrN2)2,-6.6718235096,-0.4103696792,0.2267212373,0.2267212373,GGA,P2_1/c,A2B4C4DE2_mP26_14_e_2e_2e_a_e:Br-C-N-Pt-Rb,26.0,"Invalid WP multiplicities - A2B4C4DE2_mP26_14_e_6e_3e_a_e:Br-C-N-Pt-Rb, expected Rb2PtC12(BrN3)2 to be Rb2PtC4(BrN2)2" +mp-1192027,Rb2Pt(CN)4,-7.4397466818,-0.3222154877,0.0163937001,0.0163937001,GGA,Imma,A4B4CD2_oI44_74_fh_fh_a_ce:C-N-Pt-Rb,22.0,A4B4CD2_oI44_74_fh_fh_a_ce:C-N-Pt-Rb +mp-1194954,NaNb2H7O9,-6.740296543,-2.0142746436,0.0078717087,0.0078717087,GGA,P2_1/c,A7BC2D9_mP76_14_7e_e_2e_9e:H-Na-Nb-O,76.0,A7BC2D9_mP76_14_7e_e_2e_9e:H-Na-Nb-O +mp-557127,Cs6Na2Nb6H36O37,-6.1480798553,-1.8516325565,0.0,-0.0058365251,GGA,R-3,A6B36C2D6E37_hR261_148_f_6f_c_f_a6f:Cs-H-Na-Nb-O,87.0,"Invalid WP multiplicities - A6B36C2D6E37_hR261_148_f_31f_c_f_a32f:Cs-H-Na-Nb-O, expected Cs6Na2Nb6H186O193 to be Cs6Na2Nb6H36O37" +mp-1026856,KMg14Nb,-1.8916664444,0.2093100986,0.22380191,0.22380191,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Nb, expected KMg18Nb to be KMg14Nb" +mp-1026851,KMg14Nb,-1.9187028425,0.1822737004,0.1967655119,0.1967655119,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Nb, expected KMg26Nb to be KMg14Nb" +mp-1021311,KMg6Nb,-2.3100414238,0.2916316121,0.3040531648,0.3040531648,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Nb,8.0,AB6C_oC16_65_a_ehj_b:K-Mg-Nb +mp-1021364,KMg6Nb,-2.2992937469,0.302379289,0.3148008417,0.3148008417,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Nb,16.0,"Invalid WP multiplicities - AB6C_hP8_187_a_2j2k_d:K-Mg-Nb, expected KMg12Nb to be KMg6Nb" +mp-1098122,KMg6Nb,-2.2996018238,0.3020712121,0.3144927648,0.3144927648,GGA,P-6m2,AB6C_hP8_187_a_jk_d:K-Mg-Nb,8.0,AB6C_hP8_187_a_jk_d:K-Mg-Nb +mp-2229000,K4MgNb2(CuS4)2,-5.11337937,-1.1407618292,0.1923787304,0.1923787304,GGA,P1,A2B4CD2E8_aP17_1_2a_4a_a_2a_8a:Cu-K-Mg-Nb-S,17.0,A2B4CD2E8_aP17_1_2a_4a_a_2a_8a:Cu-K-Mg-Nb-S +mp-2228938,K4MgNb2(CuS4)2,-5.1261269859,-1.1535094451,0.1796311146,0.1796311146,GGA,C2,A2B4CD2E8_mC34_5_ab_2a2b_a_ab_4c:Cu-K-Mg-Nb-S,17.0,"Invalid WP multiplicities - A2B4CD2E8_mC34_5_ab_2a2b_a_ab_7c:Cu-K-Mg-Nb-S, expected K4MgNb2(CuS7)2 to be K4MgNb2(CuS4)2" +mp-581419,K3Nb2Cu3S8,-5.5085976097,-1.2009084931,0.0,-0.0082170331,GGA,C2/c,A3B3C2D8_mC64_15_ef_af_f_4f:Cu-K-Nb-S,32.0,"Invalid WP multiplicities - A3B3C2D8_mC64_15_2e2f_a2f_f_13f:Cu-K-Nb-S, expected K5Nb2(Cu3S13)2 to be K3Nb2Cu3S8" +mp-1212580,K2NbCuS2,-4.5097832775,-0.3940817212,0.6459499633,0.6459499633,GGA,Fddd,AB2CD2_oF96_70_c_h_d_h:Cu-K-Nb-S,24.0,AB2CD2_oF96_70_c_h_d_h:Cu-K-Nb-S +mp-9763,K2NbCuS4,-5.4204759425,-1.2995873086,0.0,-0.0058825717,GGA,Fddd,AB2CD4_oF64_70_a_e_b_h:Cu-K-Nb-S,16.0,AB2CD4_oF64_70_a_e_b_h:Cu-K-Nb-S +mp-1106233,KNb(CuS2)2,-5.5802852106,-1.0857956113,0.0,-0.0024492696,GGA,Ama2,A2BCD4_oC32_40_ab_b_b_2bc:Cu-K-Nb-S,16.0,A2BCD4_oC32_40_ab_b_b_2bc:Cu-K-Nb-S +mp-2229237,K2MgNb2(CuS2)4,-5.28408396,-0.9598419812,0.1840641333,0.1840641333,GGA,P1,A4B2CD2E8_aP17_1_4a_2a_a_2a_8a:Cu-K-Mg-Nb-S,17.0,A4B2CD2E8_aP17_1_4a_2a_a_2a_8a:Cu-K-Mg-Nb-S +mp-2229367,K2MgNb2(CuS2)4,-5.2818422865,-0.9576003077,0.1863058068,0.1863058068,GGA,Pm,A4B2CD2E8_mP17_6_abc_ab_a_ab_2a2b2c:Cu-K-Mg-Nb-S,17.0,"Invalid WP multiplicities - A4B2CD2E8_mP17_6_abc_ab_a_ab_2a2b4c:Cu-K-Mg-Nb-S, expected K2MgNb2(CuS3)4 to be K2MgNb2(CuS2)4" +mp-555369,SrCuH6O5,-5.4497675431,-1.5360367777,0.0149333146,0.0149333146,GGA,P2/c,AB6C5D_mP26_13_a_3g_f2g_e:Cu-H-O-Sr,26.0,"Invalid WP multiplicities - AB6C5D_mP26_13_a_10g_2e6g_f:Cu-H-O-Sr, expected SrCu(H10O7)2 to be SrCuH6O5" +mp-753122,Sr2CuH2(SeO3)4,-5.8292875681,-1.6574991818,0.0793710325,0.0793710325,GGA,P-1,AB2C12D4E2_aP21_2_a_i_6i_2i_i:Cu-H-O-Se-Sr,21.0,"Invalid WP multiplicities - AB2C12D4E2_aP21_2_a_i_11i_3i_i:Cu-H-O-Se-Sr, expected Sr2CuH2(Se3O11)2 to be Sr2CuH2(SeO3)4" +mp-1191497,Sr2CuH2(SeO3)4,-5.9059558781,-1.7341674918,0.0027027225,0.0027027225,GGA,P-1,AB2C12D4E2_aP21_2_a_i_6i_2i_i:Cu-H-O-Se-Sr,21.0,AB2C12D4E2_aP21_2_a_i_6i_2i_i:Cu-H-O-Se-Sr +mp-1147709,Sr2CuH6,-3.5427922983,-0.4500645376,0.0,-0.0149776122,GGA,Cmce,AB6C2_oC36_64_a_def_d:Cu-H-Sr,18.0,AB6C2_oC36_64_a_def_d:Cu-H-Sr +mp-1194283,Sr2Cu(HO)6,-5.6197009173,-1.7853887764,0.0079361595,0.0079361595,GGA,P2_1/c,AB6C6D2_mP30_14_a_3e_3e_e:Cu-H-O-Sr,30.0,AB6C6D2_mP30_14_a_3e_3e_e:Cu-H-O-Sr +mp-753175,SrH2(SeO3)2,-5.8425064695,-1.7382427635000002,0.0087378902,0.0087378902,GGA,P-1,A2B6C2D_aP22_2_2i_6i_2i_i:H-O-Se-Sr,22.0,"Invalid WP multiplicities - A2B6C2D_aP22_2_3i_11i_3i_i:H-O-Se-Sr, expected SrH3Se3O11 to be SrH2(SeO3)2" +mp-1522202,BaCaYNbO6,-8.365303099,-3.3480547749,0.1308229616,0.1308229616,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Y,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Nb-O-Y +mp-1227108,CaYNb2O7,-9.0720938141,-3.3174118094,0.0818859381,0.0818859381,GGA,Imma,AB2C7D_oI44_74_a_bc_3ej_d:Ca-Nb-O-Y,22.0,"Invalid WP multiplicities - AB2C7D_oI44_74_a_bc_5e2j_d:Ca-Nb-O-Y, expected CaYNb2O13 to be CaYNb2O7" +mp-1214116,Ca2YNbO6,-8.5048543795,-3.4789435614,0.0159280643,0.0159280643,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Nb-O-Y,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Nb-O-Y +mp-1522467,Ba2YNbO6,-8.4542154435,-3.4456296134,0.0040903195,-0.0345500693,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Y,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nb-O-Y +mp-7251,Ba2YNbO6,-8.458305763,-3.4497199329,0.0,-0.0386403888,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-Y +mp-1211310,KTm(MoO4)2,-8.1118083175,-2.5408879608,0.0131012315,-0.0173475527,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Tm,24.0,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Tm +mp-1211532,KTm(MoO4)2,-8.124909549,-2.5539891923,0.0,-0.0304487842,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Tm,48.0,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Tm +mp-1211810,KLiTm2(MoO4)4,-8.1366857246,-2.5324935379,0.0143924301,0.0143924301,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Tm,48.0,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Tm +mp-541910,SrMo2(AsO6)2,-7.4690578829,-2.0538052348,0.0349806951,0.0349806951,GGA+U,P2_1/c,A2B2C12D_mP34_14_e_e_6e_a:As-Mo-O-Sr,34.0,A2B2C12D_mP34_14_e_e_6e_a:As-Mo-O-Sr +mp-709350,Sr5As5HO18,-6.7436871623,-2.4617498472,0.0,-0.0028622718,GGA,P2_1/c,A5BC18D5_mP116_14_5e_e_18e_5e:As-H-O-Sr,116.0,A5BC18D5_mP116_14_5e_e_18e_5e:As-H-O-Sr +mp-735578,SrMoAsH3O8,-6.6852762545,-1.9034226978,0.0731131941,0.0731131941,GGA+U,C2/c,AB3CD8E_mC112_15_f_3f_f_8f_f:As-H-Mo-O-Sr,56.0,AB3CD8E_mC112_15_f_3f_f_8f_f:As-H-Mo-O-Sr +mp-510709,SrAsH3O5,-6.082151055,-1.9561277,0.0101498999,0.0101498999,GGA,Pbca,AB3C5D_oP80_61_c_3c_5c_c:As-H-O-Sr,80.0,AB3C5D_oP80_61_c_3c_5c_c:As-H-O-Sr +mp-1197507,SrMo4H4O15,-7.473077941,-1.9379392434,0.0118899587,0.0118899587,GGA+U,Pbcn,A4B4C15D_oP192_60_4d_4d_15d_d:H-Mo-O-Sr,192.0,A4B4C15D_oP192_60_4d_4d_15d_d:H-Mo-O-Sr +mp-1520674,Sr2TbWO6,-8.1957396895,-3.1305781391,0.0268856895,0.0268856895,GGA+U,Pn-3,A6B2CD_cP40_201_h_ad_b_c:O-Sr-Tb-W,40.0,A6B2CD_cP40_201_h_ad_b_c:O-Sr-Tb-W +mp-1520577,Sr2TbWO6,-8.090824731,-3.0256631806,0.131800648,0.131800648,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-W,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-Tb-W +mp-1518778,BaSrTbWO6,-8.222205172,-3.1340954729,0.0155471265,0.0155471265,GGA+U,P-1,AB6CDE_aP20_2_i_6i_i_ah_be:Ba-O-Sr-Tb-W,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_i_ah_be:Ba-O-Sr-Tb-W, expected BaSrTbWO12 to be BaSrTbWO6" +mp-1518820,BaSrTbWO6,-8.2172216665,-3.1291119674,0.020530632,0.020530632,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_cd_e_f:Ba-O-Sr-Tb-W,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_2c2d_e_f:Ba-O-Sr-Tb-W, expected BaSr2TbWO12 to be BaSrTbWO6" +mp-1518727,BaSrTbWO6,-8.134859769,-3.0467500699,0.1028925295,0.1028925295,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-W +mp-1031242,KMg6SiO8,-5.9264945937,-2.4445629083,0.5146492307,0.5146492307,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:K-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:K-Mg-O-Si, expected KMg6SiO12 to be KMg6SiO8" +mp-1031251,KMg6SiO8,-5.9813196975,-2.4993880121,0.459824127,0.459824127,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:K-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:K-Mg-O-Si, expected KMg6SiO12 to be KMg6SiO8" +mp-1033928,KMg14SiO16,-6.1646239484,-2.7869159154,0.2197103038,0.2197103038,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:K-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:K-Mg-O-Si, expected KMg18SiO20 to be KMg14SiO16" +mp-1033911,KMg14SiO16,-6.1426590997,-2.7649510667,0.2416751526,0.2416751526,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:K-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:K-Mg-O-Si, expected KMg30SiO32 to be KMg14SiO16" +mp-1040245,KMg30SiO32,-6.2586823198,-2.933086113,0.0972471463,0.0972471463,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:K-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:K-Mg-O-Si, expected KMg90SiO80 to be KMg30SiO32" +mp-1040270,KMg30SiO32,-6.2468910169,-2.92129481,0.1090384492,0.1090384492,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:K-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:K-Mg-O-Si, expected KMg110SiO72 to be KMg30SiO32" +mp-1026705,Mg14NbSi,-2.2930550363,0.0776039494,0.1706613358,0.1706613358,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Si,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Si, expected Mg18NbSi to be Mg14NbSi" +mp-1026700,Mg14NbSi,-2.2921989806,0.078460005,0.1715173914,0.1715173914,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Si,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Si, expected Mg26NbSi to be Mg14NbSi" +mp-542100,K4Nb2Si8O23,-8.0074178846,-3.093347872,0.0020011389,0.0020011389,GGA,P-1,A4B2C23D8_aP37_2_2i_i_a11i_4i:K-Nb-O-Si,37.0,A4B2C23D8_aP37_2_2i_i_a11i_4i:K-Nb-O-Si +mp-650601,K4Nb2Si8O23,-8.0067521526,-3.09268214,0.0026668709,0.0026668709,GGA,P-1,A4B2C23D8_aP185_2_10i_5i_a57i_20i:K-Nb-O-Si,185.0,"Invalid WP multiplicities - A4B2C23D8_aP185_2_20i_8i_a113i_39i:K-Nb-O-Si, expected K40Nb16Si78O227 to be K4Nb2Si8O23" +mp-1019779,K2Mg2Si2O7,-6.8532255308,-2.9379320667,0.0348851384,0.0348851384,GGA,P-31m,A2B2C7D2_hP13_162_c_d_ak_e:K-Mg-O-Si,13.0,A2B2C7D2_hP13_162_c_d_ak_e:K-Mg-O-Si +mp-2228312,K3MgNbO8,-5.81835288,-1.6178689092,0.4068771246,0.4068771246,GGA,Cm,A3BCD8_mC26_8_ab_a_a_4a2b:K-Mg-Nb-O,13.0,A3BCD8_mC26_8_ab_a_a_4a2b:K-Mg-Nb-O +mp-2218471,K3MgNbO8,-5.9441315992,-1.7436476284,0.2810984054,0.2810984054,GGA,I222,A3BCD8_oI26_23_af_c_b_2k:K-Mg-Nb-O,13.0,A3BCD8_oI26_23_af_c_b_2k:K-Mg-Nb-O +mp-1021360,KMg6Si,-1.8465710888,0.1706035709,0.2298717441,0.2298717441,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Si, expected KMg12Si to be KMg6Si" +mp-1021389,KMg6Si,-1.8310788588,0.1860958009,0.2453639741,0.2453639741,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Si +mp-1017451,Mg6NbSi,-3.0165658587,0.1244720625,0.288594544,0.288594544,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Si, expected Mg12NbSi to be Mg6NbSi" +mp-1017436,Mg6NbSi,-3.002854695,0.1381832262,0.3023057078,0.3023057078,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Si,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Si, expected Mg12NbSi to be Mg6NbSi" +mp-2217038,K4MgNb4(Si2O7)4,-8.0577998907,-2.9832015762,0.1046383532,0.1046383532,GGA,Amm2,A4BC4D28E8_oC90_38_2ad_a_f_2b2cd2e4f_2cf:K-Mg-Nb-O-Si,45.0,"Invalid WP multiplicities - A4BC4D28E8_oC90_38_2a2d_a_f_2b3c2d4e15f_4cf:K-Mg-Nb-O-Si, expected K6MgNb4(Si3O20)4 to be K4MgNb4(Si2O7)4" +mp-1224150,K3Mg4(Si2O7)2,-6.9499595172,-2.9224702725,0.0487797762,0.0487797762,GGA,Pm,A3B4C14D4_mP25_6_2ab_2c_ab6c_2c:K-Mg-O-Si,25.0,"Invalid WP multiplicities - A3B4C14D4_hP25_174_abe_g2i_cd3l_3h:K-Mg-O-Si, expected K3Mg6(Si3O10)2 to be K3Mg4(Si2O7)2" +mp-1099101,KMg14Si,-1.6855852862,0.1231420686,0.1637723008,0.1637723008,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Si, expected KMg18Si to be KMg14Si" +mp-1026383,KMg14Si,-1.6751966656,0.1335306892,0.1741609215,0.1741609215,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Si, expected KMg26Si to be KMg14Si" +mp-560407,KNbSi2O7,-8.267687515,-3.1141274217,0.0,-0.0221396238,GGA,P4bm,ABC7D2_tP44_100_c_2a_2a2bc2d_2c:K-Nb-O-Si,44.0,"Invalid WP multiplicities - ABC7D2_tP44_100_c_4a_4a4b4c13d_4c:K-Nb-O-Si, expected KNb2(Si2O17)2 to be KNbSi2O7" +mp-2242061,KMgNbO3,-6.8757327867,-2.2670577582,0.3382252371,0.3382252371,GGA,Cm,ABCD3_mC12_8_a_a_a_ab:K-Mg-Nb-O,6.0,ABCD3_mC12_8_a_a_a_ab:K-Mg-Nb-O +mp-2226449,KMgNbO3,-6.4372390617,-1.8285640332,0.7767189621,0.7767189621,GGA,Pmm2,ABCD3_oP6_25_c_a_b_abd:K-Mg-Nb-O,6.0,ABCD3_oP6_25_c_a_b_abd:K-Mg-Nb-O +mp-2242064,KMgNbO3,-6.5069597533,-1.8982847249,0.7069982704000001,0.7069982704000001,GGA,Amm2,ABCD3_oC12_38_b_a_a_bd:K-Mg-Nb-O,6.0,ABCD3_oC12_38_b_a_a_bd:K-Mg-Nb-O +mp-2227471,KMgNbO3,-6.8860573317,-2.2773823032,0.3279006921,0.3279006921,GGA,I4mm,ABCD3_tI12_107_a_a_a_ab:K-Mg-Nb-O,6.0,ABCD3_tI12_107_a_a_a_ab:K-Mg-Nb-O +mp-2228261,KMgNbO3,-6.3413767417,-1.7327017132,0.8725812821000001,0.8725812821000001,GGA,P4/mmm,ABCD3_tP6_123_a_b_d_ce:K-Mg-Nb-O,6.0,ABCD3_tP6_123_a_b_d_ce:K-Mg-Nb-O +mp-2210633,KMgNbO3,-6.5929652483,-1.9842902199,0.6209927754,0.6209927754,GGA,R3m,ABCD3_hR18_160_a_a_a_b:K-Mg-Nb-O,6.0,ABCD3_hR18_160_a_a_a_b:K-Mg-Nb-O +mp-2226778,KMgNbO3,-6.916857495,-2.3081824665,0.2971005287,0.2971005287,GGA,R3m,ABCD3_hR18_160_a_a_a_b:K-Mg-Nb-O,6.0,ABCD3_hR18_160_a_a_a_b:K-Mg-Nb-O +mp-1211275,KMg3(SiO3)4,-7.3972705515,-3.0486317639,0.0458923808,0.0458923808,GGA,C2/m,AB3C12D4_mC40_12_c_bg_2i2j_j:K-Mg-O-Si,20.0,AB3C12D4_mC40_12_c_ag_2i2j_j:K-Mg-O-Si +mp-1211613,KMg3(SiO3)4,-7.397107606,-3.0484688184,0.0460553263,0.0460553263,GGA,C2/c,AB3C12D4_mC80_15_e_cf_6f_2f:K-Mg-O-Si,40.0,AB3C12D4_mC80_15_e_af_6f_2f:K-Mg-O-Si +mp-1211817,KMg3(SiO3)4,-7.3864262783,-3.0377874907,0.056736654,0.056736654,GGA,P3_112,AB3C12D4_hP60_151_a_3b_6c_2c:K-Mg-O-Si,60.0,AB3C12D4_hP60_151_a_3b_6c_2c:K-Mg-O-Si +mp-1234312,K8Mg(SiO3)8,-6.7801121312,-2.5701964011,0.1338099772,0.1338099772,GGA,P1,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si,41.0,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si +mp-1234313,K8Mg(SiO3)8,-6.781849302,-2.5719335718,0.1320728064,0.1320728064,GGA,P1,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si,41.0,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si +mp-1234472,K8Mg(SiO3)8,-6.7585135695,-2.5485978394,0.1554085389,0.1554085389,GGA,P1,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si,41.0,A8BC24D8_aP41_1_8a_a_24a_8a:K-Mg-O-Si +mp-1224161,K2Mg5(Si2O5)6,-7.7689538878,-3.2031033604,0.0,-0.0075133827,GGA,P-62c,A2B5C30D12_hP98_190_ac_fg_2h4i_2i:K-Mg-O-Si,98.0,A2B5C30D12_hP98_190_ac_fg_2h4i_2i:K-Mg-O-Si +mp-1030823,Mg6NbSiO8,-6.4975341794,-2.4536708631,0.4960675662,0.4960675662,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Si, expected Mg6NbSiO12 to be Mg6NbSiO8" +mp-1030833,Mg6NbSiO8,-6.4724200806,-2.4285567644,0.5211816649000001,0.5211816649000001,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Si,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Si, expected Mg6NbSiO12 to be Mg6NbSiO8" +mp-15171,K2MgSiO4,-6.4210573461,-2.7919134937,0.0,-0.0216422502,GGA,Pca2_1,A2BC4D_oP64_29_4a_2a_8a_2a:K-Mg-O-Si,64.0,"Invalid WP multiplicities - A2BC4D_oP64_29_4a_2a_10a_2a:K-Mg-O-Si, expected K2MgSiO5 to be K2MgSiO4" +mp-17059,K3Nb3Si2O13,-8.1652204012,-2.9846155789,0.0071107905,0.0071107905,GGA,P-62m,A3B3C13D2_hP42_189_fg_i_cfgil_h:K-Nb-O-Si,42.0,"Invalid WP multiplicities - A3B3C13D2_hP42_189_2f2g_i_cfg2il_h:K-Nb-O-Si, expected K6Nb3(SiO8)2 to be K3Nb3Si2O13" +mp-559346,K3Nb3Si2O13,-8.1719958824,-2.9913910601,0.0003353093,0.0003353093,GGA,P-62c,A3B3C13D2_hP42_190_h_g_cghi_f:K-Nb-O-Si,42.0,"Invalid WP multiplicities - A3B3C13D2_hP42_190_h_g_2c4g3h7i_f:K-Nb-O-Si, expected K3Nb3Si2O65 to be K3Nb3Si2O13" +mp-1181629,KMgNbO15,-5.5265551732,-0.6925376895,0.4404349026,0.4404349026,GGA,P2_1/c,ABCD15_mP72_14_e_ac_e_15e:K-Mg-Nb-O,72.0,ABCD15_mP72_14_e_ac_e_15e:K-Mg-Nb-O +mp-2232134,MgNb3SiO10,-8.7092351493,-2.9228084618,0.1719113232,0.1719113232,GGA,P1,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si,15.0,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si +mp-2224814,MgNb3SiO10,-8.680538194,-2.8941115065,0.2006082785,0.2006082785,GGA,P1,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si,15.0,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si +mp-2232153,MgNb3SiO10,-8.6830028533,-2.8965761658,0.1981436192,0.1981436192,GGA,P1,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si,15.0,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si +mp-2241183,MgNb3SiO10,-8.7638232713,-2.9773965838,0.1173232012,0.1173232012,GGA,P1,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si,15.0,AB3C10D_aP15_1_a_3a_10a_a:Mg-Nb-O-Si +mp-1039854,Mg30NbSiO32,-6.3634235209,-2.8973444064,0.1306204254,0.1306204254,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Si, expected Mg90NbSiO80 to be Mg30NbSiO32" +mp-1039821,Mg30NbSiO32,-6.3642212377,-2.8981421231,0.1298227087,0.1298227087,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Si,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Si, expected Mg110NbSiO72 to be Mg30NbSiO32" +mp-667292,K2MgSi5O12,-7.6378331074,-3.1224364759,0.0,-0.0097309624,GGA,P2_1/c,A2BC12D5_mP160_14_4e_2e_24e_10e:K-Mg-O-Si,160.0,"Invalid WP multiplicities - A2BC12D5_mP160_14_13e_6e_92e_37e:K-Mg-O-Si, expected K13Mg6Si37O92 to be K2MgSi5O12" +mp-1034756,Mg14NbSiO16,-6.3944969819,-2.7358231334000003,0.2660662309,0.2660662309,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Si, expected Mg18NbSiO20 to be Mg14NbSiO16" +mp-1034765,Mg14NbSiO16,-6.3967868741,-2.7381130256,0.2637763387,0.2637763387,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Si,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Si, expected Mg30NbSiO32 to be Mg14NbSiO16" +mp-1517687,BaSrCeWO6,-8.309683915,-3.0917019104,0.071007542,0.071007542,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ce-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ce-O-Sr-W, expected BaSrCeWO12 to be BaSrCeWO6" +mp-1517875,BaSrCeWO6,-8.3022400945,-3.0842580899,0.0784513625,0.0784513625,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ce-O-Sr-W +mp-1517905,BaSrCeWO6,-8.220209382,-3.0022273774,0.160482075,0.160482075,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-W +mp-1517855,Ba2CeWO6,-8.2951389505,-3.0542087973,0.0667954397,0.0667954397,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ce-O-W +mp-1517711,Ba2CeWO6,-8.276184904,-3.0352547508,0.0857494862,0.0857494862,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-W +mp-1210147,NiSO8,-5.2549451997,-0.3059355761,0.7214854798,0.7214854798,GGA+U,P2_1/c,AB8C_mP40_14_e_8e_e:Ni-O-S,40.0,AB8C_mP40_14_e_8e_e:Ni-O-S +mp-505611,Sr2Cu2Ni(SO)2,-5.4603929467,-1.513302493,0.1797627726,0.1797627726,GGA+U,I4/mmm,A2BC2D2E2_tI18_139_d_a_c_e_e:Cu-Ni-O-S-Sr,9.0,A2BC2D2E2_tI18_139_d_a_c_e_e:Cu-Ni-O-S-Sr +mp-1202912,NiSO10,-4.9866748085,-0.0380520036,0.8181322096,0.8181322096,GGA+U,C2/c,AB10C_mC96_15_ae_10f_f:Ni-O-S,48.0,AB10C_mC96_15_ae_10f_f:Ni-O-S +mp-1202777,NiSO10,-4.9911244398,-0.0425016348,0.8136825783,0.8136825783,GGA+U,P4_12_12,AB10C_tP48_92_a_5b_a:Ni-O-S,48.0,AB10C_tP48_92_a_5b_a:Ni-O-S +mp-1197146,NiSO10,-4.9999311779,-0.051308373,0.8048758402,0.8048758402,GGA+U,P4_32_12,AB10C_tP48_96_a_5b_a:Ni-O-S,48.0,AB10C_tP48_96_a_5b_a:Ni-O-S +mp-1104484,Ni(SO6)2,-5.3562522467,-0.4620321834,0.6438240789,0.6438240789,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Ni-O-S,15.0,AB12C2_aP15_2_a_6i_i:Ni-O-S +mp-818312,Ni(SO6)2,-5.3206617967,-0.4264417334,0.6794145289,0.6794145289,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Ni-O-S,15.0,AB12C2_aP15_2_a_6i_i:Ni-O-S +mp-1180184,Ni(SO6)2,-5.2625232493,-0.3683031861,0.7375530762,0.7375530762,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Ni-O-S,15.0,AB12C2_aP15_2_a_6i_i:Ni-O-S +mp-1210451,Ni(SO6)2,-5.013035348,-0.1188152848,0.9870409775,0.9870409775,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Ni-O-S,15.0,AB12C2_aP15_2_a_6i_i:Ni-O-S +mp-1239081,Ni(SO6)2,-5.0029994213,-0.1087793581,0.9970769042,0.9970769042,GGA+U,P-1,AB12C2_aP15_2_a_6i_i:Ni-O-S,15.0,AB12C2_aP15_2_a_6i_i:Ni-O-S +mp-779766,Ni2(SO4)3,-6.4598947688,-1.5581366808,0.0219841716,0.0219841716,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Ni-O-S,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Ni-O-S, expected Ni3S11O43 to be Ni2(SO4)3" +mp-768526,Ni2(SO4)3,-6.43226741,-1.530509322,0.0496115305,0.0496115305,GGA+U,C2/c,A2B12C3_mC68_15_f_6f_ef:Ni-O-S,34.0,"Invalid WP multiplicities - A2B12C3_mC68_15_f_21f_e2f:Ni-O-S, expected Ni2S5O42 to be Ni2(SO4)3" +mp-778234,Ni2(SO4)3,-6.3207937034,-1.4190356154,0.1610852371,0.1610852371,GGA+U,Pbca,A2B12C3_oP136_61_2c_12c_3c:Ni-O-S,136.0,"Invalid WP multiplicities - A2B12C3_oP136_61_5c_45c_9c:Ni-O-S, expected Ni5(SO5)9 to be Ni2(SO4)3" +mp-768504,Ni2(SO4)3,-6.4711672253,-1.5694091373,0.0107117152,0.0107117152,GGA+U,R-3,A2B12C3_hR102_148_2c_4f_f:Ni-O-S,34.0,"Invalid WP multiplicities - A2B12C3_hR102_148_3c_19f_f:Ni-O-S, expected NiSO19 to be Ni2(SO4)3" +mp-1180037,NiSO9,-5.5110189509000005,-0.5622203193,0.3717988224,0.3717988224,GGA+U,P1,AB9C_aP11_1_a_9a_a:Ni-O-S,11.0,AB9C_aP11_1_a_9a_a:Ni-O-S +mp-1180125,NiSO9,-5.1466326064,-0.1978339747,0.7361851669,0.7361851669,GGA+U,P1,AB9C_aP11_1_a_9a_a:Ni-O-S,11.0,AB9C_aP11_1_a_9a_a:Ni-O-S +mp-1101924,NiSO9,-5.0150665718,-0.0662679402,0.8677512015000001,0.8677512015000001,GGA+U,R3,AB9C_hR33_146_a_3b_a:Ni-O-S,11.0,AB9C_hR33_146_a_3b_a:Ni-O-S +mp-1211066,NiS2O9,-5.48265325,-0.6015503487,0.7807699791,0.7807699791,GGA+U,Pnma,AB9C2_oP48_62_a_c4d_2c:Ni-O-S,48.0,AB9C2_oP48_62_a_c4d_2c:Ni-O-S +mp-18749,NiSO4,-6.662925325,-1.7123684264,0.0,-0.2028042857,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Ni-O-S,24.0,AB4C_oC24_63_a_fg_c:Ni-O-S +mp-849993,Ni(SO4)2,-6.281341568,-1.4062010131,0.1017847991,0.1017847991,GGA+U,Pbca,AB8C2_oP88_61_c_8c_2c:Ni-O-S,88.0,"Invalid WP multiplicities - AB8C2_oP88_61_c_29c_5c:Ni-O-S, expected NiS5O29 to be Ni(SO4)2" +mp-772505,Ni(SO4)2,-6.3260967109,-1.4509561560000002,0.0570296562,0.0570296562,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Ni-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Ni-O-S, expected Ni(SO9)2 to be Ni(SO4)2" +mp-772423,Ni(SO4)2,-6.3240314215,-1.4488908666,0.0590949456,0.0590949456,GGA+U,R3,AB8C2_hR99_146_3a_8b_2b:Ni-O-S,33.0,"Invalid WP multiplicities - AB8C2_hR99_146_3a_18b_2b:Ni-O-S, expected Ni(SO9)2 to be Ni(SO4)2" +mp-1104671,NiSO5,-6.1682648707,-1.2182605703,0.2494837952,0.2494837952,GGA+U,C2/c,AB5C_mC28_15_a_e2f_e:Ni-O-S,14.0,AB5C_mC28_15_c_e2f_e:Ni-O-S +mp-684745,CsTiNb(O2F)2,-7.978020225,-3.2555855351,0.0177330112,0.0177330112,GGA,C2,AB2CD4E_mC36_5_ab_abc_c_ab3c_c:Cs-F-Nb-O-Ti,18.0,"Invalid WP multiplicities - AB2CD4E_mC36_5_ab_abc_c_ab4c_c:Cs-F-Nb-O-Ti, expected CsTiNbO5F2 to be CsTiNb(O2F)2" +mp-743862,Ca2YFe4SbO12,-7.7894030997,-2.3970520253,0.0091277463,0.0091277463,GGA+U,P-1,A2B4C12DE_aP80_2_4i_acdh6i_24i_befg_2i:Ca-Fe-O-Sb-Y,80.0,"Invalid WP multiplicities - A2B4C12DE_aP80_2_7i_acdh11i_47i_befg_4i:Ca-Fe-O-Sb-Y, expected Ca7Y4Fe13Sb2O47 to be Ca2YFe4SbO12" +mp-2218102,Ba2MgCoWO6,-7.3760599155,-2.3592589861,0.3289288795,0.3289288795,GGA+U,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Co-Mg-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Co-Mg-O-W, expected Ba2MgCoWO10 to be Ba2MgCoWO6" +mp-2226942,Ba2MgCoWO6,-7.26413289,-2.2473319607,0.440855905,0.440855905,GGA+U,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Co-Mg-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_e2l_b:Ba-Co-Mg-O-W, expected Ba2MgCoWO10 to be Ba2MgCoWO6" +mp-1228027,Ba3Co2WO9,-7.4747672877,-2.3113080183,0.0928549677,0.0928549677,GGA+U,P6_3mc,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Co-O-W,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_186_a4b_ab_5c_b:Ba-Co-O-W, expected Ba5Co2WO15 to be Ba3Co2WO9" +mp-1274542,Ba2CoWO6,-7.927125534,-2.5686725168,0.0107513755,-0.015245641,GGA+U,I4/mmm,A2BC6D_tI20_139_d_a_eh_b:Ba-Co-O-W,10.0,"Invalid WP multiplicities - A2BC6D_tI20_139_d_a_2e3h_b:Ba-Co-O-W, expected Ba2CoWO16 to be Ba2CoWO6" +mp-22112,Ba2CoWO6,-7.9378769095,-2.5794238922,0.0,-0.0259970165,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-W,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Co-O-W +mp-1101655,NaFeBO3,-7.4291876454,-2.2105202441,0.0257035379,0.0257035379,GGA+U,C2/c,ABCD3_mC24_15_e_a_e_ef:B-Fe-Na-O,24.0,ABCD3_mC24_15_e_c_e_ef:B-Fe-Na-O +mp-772223,Na3Fe(BO3)2,-6.939000421,-2.3159576794,0.0273174081,0.0273174081,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Fe-Na-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_23e:B-Fe-Na-O, expected Na11FeB7O23 to be Na3Fe(BO3)2" +mp-756330,Na2FeBAsO7,-6.7537042742,-1.9970040282,0.0558057079,0.0558057079,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-B-Fe-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-B-Fe-Na-O, expected Na2FeBAsO13 to be Na2FeBAsO7" +mp-770768,Na6Fe2B4AsO16,-6.7968023174,-2.127874764,0.0691074632,0.0691074632,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-B-Fe-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-B-Fe-Na-O, expected Na6Fe2B4AsO108 to be Na6Fe2B4AsO16" +mp-771393,Na3FeBAsO7,-6.6138370869,-2.121304145,0.0300330474,0.0300330474,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Fe-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-B-Fe-Na-O, expected Na4FeBAsO13 to be Na3FeBAsO7" +mp-541138,NbFeF6,-6.74284386,-2.9878188531000003,0.0203741043,0.0203741043,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Fe-Nb,8.0,A6BC_hR24_148_f_a_b:F-Fe-Nb +mp-1173431,NbFeNi(O2F)2,-7.7177576328,-2.3887381094,0.047540995,0.047540995,GGA+U,Pm,A2BCDE4_mP18_6_2a2b_2a_2b_ab_4a4b:F-Fe-Nb-Ni-O,18.0,A2BCDE4_mP18_6_2a2b_2a_2b_ab_4a4b:F-Fe-Nb-Ni-O +mp-1173588,NbFeNi(O2F)2,-7.3595151367,-2.0304956133,0.4057834911,0.4057834911,GGA+U,Pm,A2BCDE4_mP18_6_2a2b_2a_2b_ab_4a4b:F-Fe-Nb-Ni-O,18.0,A2BCDE4_mP18_6_2a2b_2a_2b_ab_4a4b:F-Fe-Nb-Ni-O +mp-1334735,ZnCoNi2O7,-5.4508366911,-0.4912770781,0.5937274845,0.5937274845,GGA+U,P2_1/c,AB2C7D_mP88_14_2e_4e_14e_2e:Co-Ni-O-Zn,88.0,"Invalid WP multiplicities - AB2C7D_mP88_14_2e_7e_17e_3e:Co-Ni-O-Zn, expected Zn3Co2Ni7O17 to be ZnCoNi2O7" +mp-1043126,ZnCoNiP2O9,-6.9409172929,-1.9769886143,0.0878213284,0.0878213284,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Co-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Co-Ni-O-P-Zn +mp-1327747,Ca3V2(GeO4)3,-7.5630603085,-2.6923623145,0.0045244441,0.0045244441,GGA+U,Ia-3d,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-V,80.0,A3B3C12D2_cI160_230_c_d_h_a:Ca-Ge-O-V +mp-1043433,CaV(GeO3)2,-7.449905271,-2.4483358783,0.037716367,0.037716367,GGA+U,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-V,40.0,AB2C6D_mP40_14_e_2e_6e_e:Ca-Ge-O-V +mp-1233945,CaV4(GeO4)4,-7.6503159864,-2.211101788,0.2046649211,0.2046649211,GGA+U,P1,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Ge-O-V,25.0,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Ge-O-V +mp-1521779,CaV(GeO3)4,-6.8906027644000005,-1.9493871031,0.3285819675,0.3285819675,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:Ca-Ge-O-V,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:Ca-Ge-O-V, expected CaV(Ge2O9)2 to be CaV(GeO3)4" +mp-1222830,Li2InFe(P2O7)2,-7.3829395936,-2.5671940183,0.0,-0.0014756768,GGA+U,P1,ABC2D14E4_aP22_1_a_a_2a_14a_4a:Fe-In-Li-O-P,44.0,ABC2D14E4_aP22_1_a_a_2a_14a_4a:Fe-In-Li-O-P +mp-774767,Li4Nb2V3Cu3O16,-7.4723448511,-2.2389641673,0.0767577368,0.0767577368,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cu-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cu-Li-Nb-O-V, expected Li4Nb2V3Cu3O20 to be Li4Nb2V3Cu3O16" +mp-638236,OsC4(ClO2)2,-7.6010869291,-1.0896453323,0.0749455,0.0749455,GGA,C2/c,A4B2C4D_mC44_15_2f_f_2f_e:C-Cl-O-Os,22.0,"Invalid WP multiplicities - A4B2C4D_mC44_15_4f_f_4f_e:C-Cl-O-Os, expected OsC8(ClO4)2 to be OsC4(ClO2)2" +mp-555997,OsC4(ClO2)2,-7.5622014355,-1.0507598386,0.1138309936,0.1138309936,GGA,P4_2/mnm,A4B2C4D_tP22_136_j_f_j_a:C-Cl-O-Os,22.0,A4B2C4D_tP22_136_j_f_j_a:C-Cl-O-Os +mp-652048,OsC4ClO4,-8.0144778225,-1.036745732,0.1348824053,0.1348824053,GGA,P2_12_12_1,A4BC4D_oP80_19_8a_2a_8a_2a:C-Cl-O-Os,80.0,"Invalid WP multiplicities - A4BC4D_oP80_19_29a_6a_30a_3a:C-Cl-O-Os, expected Os3C29(ClO5)6 to be OsC4ClO4" +mp-648117,Si2Os3C12(ClO2)6,-7.5859490377,-1.1365716447,0.2182176813,0.2182176813,GGA,P-1,A12B6C12D3E2_aP35_2_6i_3i_6i_ai_i:C-Cl-O-Os-Si,35.0,"Invalid WP multiplicities - A12B6C12D3E2_aP35_2_11i_4i_11i_ai_i:C-Cl-O-Os-Si, expected Si2Os3C22(Cl4O11)2 to be Si2Os3C12(ClO2)6" +mp-697835,Ca10V5Fe15(BiO24)2,-7.7362899869,-2.2656914406,0.077988706,0.077988706,GGA+U,P-1,A2B10C15D48E5_aP80_2_i_5i_abd6i_24i_cefgh:Bi-Ca-Fe-O-V,80.0,"Invalid WP multiplicities - A2B10C15D48E5_aP80_2_i_9i_abc11i_47i_defgh:Bi-Ca-Fe-O-V, expected Ca18V5Fe25(BiO47)2 to be Ca10V5Fe15(BiO24)2" +mp-705898,Ca2VFe4BiO12,-7.6507568301,-2.1419596134,0.0755916786,0.0755916786,GGA+U,P-1,AB2C4D12E_aP80_2_2i_4i_acdh6i_24i_befg:Bi-Ca-Fe-O-V,80.0,"Invalid WP multiplicities - AB2C4D12E_aP80_2_3i_7i_acdh11i_47i_befg:Bi-Ca-Fe-O-V, expected Ca7V2Fe13Bi3O47 to be Ca2VFe4BiO12" +mp-1365378,Ca2VFe4BiO12,-3.8669414604,1.6418557564,3.8594070484,3.8594070484,GGA+U,P-1,AB2C4D12E_aP80_2_2i_4i_abcd6i_24i_efgh:Bi-Ca-Fe-O-V,80.0,"Invalid WP multiplicities - AB2C4D12E_aP80_2_3i_7i_abcd11i_47i_efgh:Bi-Ca-Fe-O-V, expected Ca7V2Fe13Bi3O47 to be Ca2VFe4BiO12" +mp-1203317,Ho5(Co2Si7)2,-6.1498425924,-0.6150700728,0.0,-0.0201851983,GGA,P2_1/c,A4B5C14_mP46_14_2e_a2e_7e:Co-Ho-Si,46.0,A4B5C14_mP46_14_2e_a2e_7e:Co-Ho-Si +mp-16596,K3HoSi2O7,-7.1952801203,-3.0882752934,0.0,-0.0551618951,GGA,P6_3/mcm,AB3C7D2_hP78_193_ad_bck_gkl_k:Ho-K-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_193_2ad_2bc2k_gkl_k:Ho-K-O-Si, expected K16Ho4(Si2O7)3 to be K3HoSi2O7" +mp-1212311,Ho3Co2Si3,-6.2577387194,-0.7277616831,0.007425386,0.007425386,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Co-Ho-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Co-Ho-Si +mp-1212707,HoCo5Si3,-6.8625998948,-0.5959385687000001,0.0,-0.0043378468,GGA,P6_3/m,A5BC3_hP54_176_5h_h_3h:Co-Ho-Si,54.0,A5BC3_hP54_176_5h_h_3h:Co-Ho-Si +mp-977345,Ho2Co3Si5,-6.496790358,-0.7351542305000001,0.0,-0.0213151458,GGA,Ibam,A3B2C5_oI40_72_aj_j_bfj:Co-Ho-Si,20.0,"Invalid WP multiplicities - A3B2C5_oI40_72_aj_j_b2f2j:Co-Ho-Si, expected Ho2(CoSi3)3 to be Ho2Co3Si5" +mp-8743,HoCoSi2,-6.3825408825,-0.7472002013,0.0,-0.0026071487,GGA,Cmcm,ABC2_oC16_63_c_c_2c:Co-Ho-Si,8.0,ABC2_oC16_63_c_c_2c:Co-Ho-Si +mp-505285,K2CoSiO4,-6.6597041461,-2.3420555756,0.0,-0.014040218,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Co-K-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_3a_5a_10a_2a:Co-K-O-Si, expected K5Co3(SiO5)2 to be K2CoSiO4" +mp-510688,HoCoSi,-6.4188321058,-0.7134838742,0.0,-0.0251438149,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Ho-Si,12.0,ABC_oP12_62_c_c_c:Co-Ho-Si +mp-1212314,Ho3Co2Si7,-6.1273635417,-0.6322728408,0.0180862914,0.0180862914,GGA,Amm2,A2B3C7_oC24_38_2a_a2b_4a3b:Co-Ho-Si,12.0,A2B3C7_oC24_38_2a_a2b_4a3b:Co-Ho-Si +mp-726420,K3HoSi3O10,-7.1824225294,-2.849690358,0.0897064147,0.0897064147,GGA,Pnma,AB3C10D3_oP68_62_c_cd_2c4d_cd:Ho-K-O-Si,68.0,AB3C10D3_oP68_62_c_cd_2c4d_cd:Ho-K-O-Si +mp-1205777,Ho2CoSi2,-6.16850637,-0.7437520510000001,0.003605986,0.003605986,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Ho-Si,10.0,AB2C2_mC20_12_i_2i_2i:Co-Ho-Si +mp-5835,Ho(CoSi)2,-6.734675808,-0.8047397040000001,0.0,-0.1249039973,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-Ho-Si,5.0,A2BC2_tI10_139_d_a_e:Co-Ho-Si +mp-560105,K3Ho(SiO3)3,-7.4166723369,-3.1223124492,0.0007966218,0.0007966218,GGA,Pmn2_1,AB3C9D3_oP64_31_b_4ab_2a8b_3b:Ho-K-O-Si,64.0,"Invalid WP multiplicities - AB3C9D3_oP64_31_b_7a3b_4a28b_8b:Ho-K-O-Si, expected K13Ho2(Si4O15)4 to be K3Ho(SiO3)3" +mp-1182785,K3Ho(SiO3)3,-7.2843757675,-2.9900158799,0.1330931911,0.1330931911,GGA,Pmn2_1,AB3C9D3_oP64_31_b_4ab_2a8b_3b:Ho-K-O-Si,64.0,AB3C9D3_oP64_31_b_4ab_2a8b_3b:Ho-K-O-Si +mp-735519,KHoCoSi2O7,-7.7913789763,-2.934830422,0.0642668688,0.0642668688,GGA+U,C2,ABCD7E2_mC48_5_ab_c_c_ab6c_2c:Co-Ho-K-O-Si,24.0,"Invalid WP multiplicities - ABCD7E2_mC48_5_ab_c_c_ab10c_2c:Co-Ho-K-O-Si, expected KHoCoSi2O11 to be KHoCoSi2O7" +mp-562568,KHoCoSi2O7,-7.76629554,-2.9097469858,0.089350305,0.089350305,GGA+U,C2,ABCD7E2_mC48_5_ab_c_c_ab6c_2c:Co-Ho-K-O-Si,24.0,"Invalid WP multiplicities - ABCD7E2_mC48_5_ab_c_c_ab12c_3c:Co-Ho-K-O-Si, expected KHoCoSi3O13 to be KHoCoSi2O7" +mp-1214912,Be2Tl2Cu(O3F4)2,-4.9543287674,-1.7293138884,0.1887483675,0.1887483675,GGA,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cu-F-O-Tl,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cu-F-O-Tl +mp-1182494,BeCuO5F4,-4.8528856118,-1.1967057063,0.2666390489,0.2666390489,GGA,P-1,ABC4D5_aP22_2_i_bc_4i_5i:Be-Cu-F-O,22.0,ABC4D5_aP22_2_i_bc_4i_5i:Be-Cu-F-O +mp-1192993,BeCuO5F4,-4.5783193823,-0.9221394767,0.5412052784,0.5412052784,GGA,P-1,ABC4D5_aP22_2_i_bc_4i_5i:Be-Cu-F-O,22.0,ABC4D5_aP22_2_i_bc_4i_5i:Be-Cu-F-O +mp-1343791,BeCuO5F4,-4.2048894991,-0.5487095935,0.9146351616,0.9146351616,GGA,P-1,ABC4D5_aP22_2_i_ab_4i_5i:Be-Cu-F-O,22.0,ABC4D5_aP22_2_i_ab_4i_5i:Be-Cu-F-O +mp-643754,HgH2NCl,-3.978978752,-0.524145944,0.103548372,0.103548372,GGA,Pmma,AB2CD_oP10_51_f_k_a_e:Cl-H-Hg-N,10.0,AB2CD_oP10_51_f_k_a_e:Cl-H-Hg-N +mp-24198,CrHgH18N6Cl5,-4.9436944665,-0.7408735150000001,0.0,-0.0045218429,GGA,Fd-3c,A5BC18DE6_cF992_228_eg_c_3h_b_h:Cl-Cr-H-Hg-N,248.0,A5BC18DE6_cF992_228_eg_c_3h_b_h:Cl-Cr-H-Hg-N +mp-1246464,Zn3SbN,-3.080292236,0.168653163,0.2342234023,0.2342234023,GGA,Imma,ABC3_oI20_74_a_e_eg:N-Sb-Zn,10.0,ABC3_oI20_74_a_e_eg:N-Sb-Zn +mp-1188715,Zn(H4N5)2,-6.0268048516,-0.1443574189,0.1281317539,0.1281317539,GGA,P-1,A8B10C_aP19_2_4i_5i_a:H-N-Zn,19.0,A8B10C_aP19_2_4i_5i_a:H-N-Zn +mp-1271275,Zn(SbN2)2,-6.0040229936,0.119366405,0.1547939473,0.1547939473,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:N-Sb-Zn,56.0,A4B2C_cF56_227_e_c_b:N-Sb-Zn +mp-1271278,Zn3SbN3,-4.7531741507,-0.0506431729,0.0,-4.5067e-06,GGA,Cm,A3BC3_mC14_8_ab_a_ab:N-Sb-Zn,14.0,A3BC3_mC14_8_ab_a_ab:N-Sb-Zn +mp-1192685,ZnH6(Se2N)2,-4.5512506573,-0.5302709926,0.0,-0.1215066398,GGA,P2_1,A6B2C4D_mP26_4_6a_2a_4a_a:H-N-Se-Zn,26.0,A6B2C4D_mP26_4_6a_2a_4a_a:H-N-Se-Zn +mp-1029334,Zn2SbN3,-5.3061556933,-0.0298268208,0.0203810964,0.0203810964,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Sb-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Sb-Zn +mp-24694,Zn(H2N)2,-4.9174453598,-0.416925697,0.0,-0.0838745051,GGA,I4_1/acd,A4B2C_tI224_142_4g_deg_g:H-N-Zn,112.0,"Invalid WP multiplicities - A4B2C_tI224_142_7g_deg_g:H-N-Zn, expected ZnH7N2 to be Zn(H2N)2" +mp-1195558,Zn(H15N8)2,-5.4048131335,-0.3744845429,0.0,-0.0006241879,GGA,P2_1/c,A30B16C_mP94_14_15e_8e_a:H-N-Zn,94.0,A30B16C_mP94_14_15e_8e_a:H-N-Zn +mp-1204899,Zn3Sb2H18(Se2N3)3,-4.5823675291,-0.1320984419,0.3559928228,0.3559928228,GGA,P2_1,A18B9C2D6E3_mP76_4_18a_9a_2a_6a_3a:H-N-Sb-Se-Zn,76.0,A18B9C2D6E3_mP76_4_18a_9a_2a_6a_3a:H-N-Sb-Se-Zn +mp-1516195,KLaDyNbO6,-8.289216943,-3.245753923,0.1850234547,0.1850234547,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Dy-K-La-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Dy-K-La-Nb-O +mp-1212064,K2DyNb5O15,-8.7867627604,-3.0678740386,0.0491126759,0.0491126759,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Dy-K-Nb-O,46.0,AB2C5D15_tP46_127_a_g_cj_dhi2j:Dy-K-Nb-O +mp-1521923,KLaZr4O12,-8.5912220567,-3.0580291063,0.2086420445,0.2086420445,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-La-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-La-O-Zr, expected KLaZr4O18 to be KLaZr4O12" +mp-1521888,KLaZr2O6,-8.72390224,-3.441708282,0.1310588054,0.1310588054,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:K-La-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:K-La-O-Zr +mp-1204508,LiBePO5,-6.7506222216000005,-2.2762369972,0.2104489063,0.2104489063,GGA,Pna2_1,ABC5D_oP32_33_a_a_5a_a:Be-Li-O-P,32.0,ABC5D_oP32_33_a_a_5a_a:Be-Li-O-P +mp-560894,Li4Be3P3ClO12,-7.0583181926,-2.8712469414,0.0,-0.0984781476,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-Cl-Li-O-P,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-Cl-Li-O-P +mp-1201314,Li8Be6P7O29,-7.127516266,-2.7464172601,0.0,-0.0096334931,GGA,P31c,A6B8C29D7_hP100_159_2c_ab2c_ab9c_b2c:Be-Li-O-P,100.0,A6B8C29D7_hP100_159_2c_ab2c_ab9c_b2c:Be-Li-O-P +mp-1104386,Li6PClO5,-5.8355551131,-2.4933381959,0.0061221315,0.0061221315,GGA,F-43m,AB6C5D_cF52_216_a_g_ce_b:Cl-Li-O-P,13.0,AB6C5D_cF52_216_a_g_ce_b:Cl-Li-O-P +mp-9915,LiBeP,-4.268990355,-0.5817776089000001,0.0,-0.1431728696,GGA,P4/nmm,ABC_tP6_129_a_c_c:Be-Li-P,6.0,ABC_tP6_129_a_c_c:Be-Li-P +mp-1048742,Sr2Y2Ni2O7,-7.5501039327,-2.7424867425,0.1070679518,0.1070679518,GGA+U,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Ni-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Ni-O-Sr-Y +mp-1047522,Sr2YNi2O7,-6.79978615,-2.1304067868,0.1964049978,0.1964049978,GGA+U,Ima2,A2B7C2D_oI48_46_c_b3c_c_a:Ni-O-Sr-Y,24.0,A2B7C2D_oI48_46_c_b3c_c_a:Ni-O-Sr-Y +mp-1046143,Sr2YGaNi2O7,-7.0500057465,-2.506878948,0.0617757294,0.0617757294,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Ga-Ni-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C7D2E_oI52_46_b_c_2b7c_c_a:Ga-Ni-O-Sr-Y, expected Sr2YGa(NiO8)2 to be Sr2YGaNi2O7" +mp-572409,Ga2RhC4Cl7O4,-5.8541306033,-1.239593195,0.127404163,0.127404163,GGA,P-1,A4B7C2D4E_aP36_2_4i_7i_2i_4i_be:C-Cl-Ga-O-Rh,36.0,"Invalid WP multiplicities - A4B7C2D4E_aP36_2_8i_11i_4i_6i_be:C-Cl-Ga-O-Rh, expected Ga4RhC8Cl11O6 to be Ga2RhC4Cl7O4" +mp-654105,RhC2ClO2,-7.2494657077,-0.9888735515,0.1364444558,0.1364444558,GGA,I-42d,A2BC2D_tI96_122_2e_e_2e_e:C-Cl-O-Rh,48.0,"Invalid WP multiplicities - A2BC2D_tI96_122_10e_e_5e_e:C-Cl-O-Rh, expected RhC10ClO5 to be RhC2ClO2" +mp-559788,RhC2ClO2,-7.2091665748,-0.9485744185,0.1767435887,0.1767435887,GGA,I-42d,A2BC2D_tI96_122_2e_e_2e_e:C-Cl-O-Rh,48.0,"Invalid WP multiplicities - A2BC2D_tI96_122_9e_e_11e_e:C-Cl-O-Rh, expected RhC9ClO11 to be RhC2ClO2" +mp-1198901,Cs2CuH8(SeO6)2,-5.3536274372,-1.3782711466,0.0063257299,0.0063257299,GGA,P2_1/c,A2BC8D12E2_mP50_14_e_a_4e_6e_e:Cs-Cu-H-O-Se,50.0,A2BC8D12E2_mP50_14_e_a_4e_6e_e:Cs-Cu-H-O-Se +mp-1198966,SiAg2(S2O7)3,-6.354427205,-1.6947741325,0.0,-0.0097354493,GGA,P-3,A2B21C6D_hP180_147_2g_21g_6g_c2d:Ag-O-S-Si,180.0,A2B21C6D_hP180_147_2g_21g_6g_c2d:Ag-O-S-Si +mp-555015,SiAg6SO8,-5.4237283694,-1.2905650189,0.0,-0.0052487281,GGA,I4_1/amd,A6B8CD_tI64_141_ef_2h_a_b:Ag-O-S-Si,32.0,"Invalid WP multiplicities - A6B8CD_tI64_141_3e4f_7h_a_b:Ag-O-S-Si, expected SiAg22SO28 to be SiAg6SO8" +mp-677726,Al12Si12Ag16S5O48,-6.9085649098,-2.4623828684,0.0957894654,0.0957894654,GGA,P1,A16B12C48D5E12_aP93_1_16a_12a_48a_5a_12a:Ag-Al-O-S-Si,93.0,A16B12C48D5E12_aP93_1_16a_12a_48a_5a_12a:Ag-Al-O-S-Si +mp-1248193,Al12Si12Ag16S5O48,-6.9106932341,-2.4645111927,0.0936611411,0.0936611411,GGA,P2,A16B12C48D5E12_mP93_3_8e_4a4e_24e_b2ce_4d4e:Ag-Al-O-S-Si,93.0,"Invalid WP multiplicities - A16B12C48D5E12_oP93_16_12u_2j2l4m2u_38u_b2kn_3p2q2s2u:Ag-Al-O-S-Si, expected Al24Si22Ag48S7O152 to be Al12Si12Ag16S5O48" +mp-559745,SiAg8(SO2)2,-4.2908632103,-0.547835168,0.4681338884,0.4681338884,GGA,I4_1/amd,A8B4C2D_tI60_141_2eg_h_e_a:Ag-O-S-Si,30.0,"Invalid WP multiplicities - A8B4C2D_tI60_141_7e6g_h_e_a:Ag-O-S-Si, expected SiAg38(SO2)2 to be SiAg8(SO2)2" +mp-1516887,Eu2NiWO6,-9.41655339,-2.5233131122,0.0342726212,0.0342726212,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Ni-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Ni-O-W +mp-1516192,EuNiSnWO6,-8.334796076,-2.0662987927,0.1506203424,0.1506203424,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sn-W +mp-1521147,KNdHfFeO6,-8.148489192,-2.7499003033,0.1489776175,0.1489776175,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Fe-Hf-K-Nd-O,,ABCDE6_cF40_216_a_b_c_d_f:Fe-Hf-K-Nd-O +mp-1520399,BaNaDyWO6,-7.979713326,-2.9310583689,0.0004843172,0.0004843172,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Na-O-W +mp-1220842,Nd3Y3(Fe5O12)2,-8.441305068,-2.5131901478,0.0201254488,0.0201254488,GGA+U,I4_132,A10B3C24D3_cI160_214_ef_c_2i_d:Fe-Nd-O-Y,80.0,"Invalid WP multiplicities - A10B3C24D3_cI160_214_ef_c_3i_d:Fe-Nd-O-Y, expected Nd3Y3(Fe5O18)2 to be Nd3Y3(Fe5O12)2" +mp-774341,Na5CoHO4,-4.8472306788,-1.492646574,0.0053205312,0.0053205312,GGA+U,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Co-H-Na-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Co-H-Na-O, expected Na34Co5H2O27 to be Na5CoHO4" +mp-505247,NaCo3As3(HO6)2,-6.5172516719,-1.6234159329,0.0,-0.0117133699,GGA+U,C2/c,A3B3C2DE12_mC84_15_ef_ef_f_e_6f:As-Co-H-Na-O,42.0,A3B3C2DE12_mC84_15_ef_ef_f_e_6f:As-Co-H-Na-O +mp-1210410,Na3Zn2(WO4)3,-7.2643809675,-2.0282950512,0.1001141248,0.1001141248,GGA+U,C2/c,A3B12C3D2_mC80_15_a2e_6f_ef_f:Na-O-W-Zn,40.0,A3B12C3D2_mC80_15_a2e_6f_ef_f:Na-O-W-Zn +mp-1079925,Sr2YCrO6,-7.782047706,-2.8641839303000003,0.1480500186,0.1480500186,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-Y +mp-1037480,YMg30CrO32,-6.4566516559,-2.981308549,0.0691064752,0.0691064752,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Y, expected YMg110CrO72 to be YMg30CrO32" +mp-1037254,YMg30CrO32,-6.4555358331,-2.9801927262000003,0.070222298,0.070222298,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Y, expected YMg90CrO80 to be YMg30CrO32" +mp-2219362,Y2MgCr2O8,-8.4815338615,-2.8343933303,0.153729964,0.153729964,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Cr-Mg-O-Y,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Cr-Mg-O-Y, expected Y2MgCr2O16 to be Y2MgCr2O8" +mp-2219226,Y2MgCr2O8,-8.4752085992,-2.8280680679,0.1600552263,0.1600552263,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Y,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Cr-Mg-O-Y, expected Y2MgCr2O14 to be Y2MgCr2O8" +mp-2219397,Y2MgCr2O8,-8.48818554,-2.8410450087,0.1470782855,0.1470782855,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cr-Mg-O-Y,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:Cr-Mg-O-Y, expected Y2MgCr2O12 to be Y2MgCr2O8" +mp-1035992,YMg14CrO16,-6.5862523506,-2.9090505174,0.1377392317,0.1377392317,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Y, expected YMg18CrO20 to be YMg14CrO16" +mp-1035956,YMg14CrO16,-6.5888171369,-2.9116153036,0.1351744454,0.1351744454,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Y, expected YMg30CrO32 to be YMg14CrO16" +mp-2232778,Y2MgCr3O9,-8.467960576,-2.6004563701,0.3771327063,0.3771327063,GGA+U,P4/mmm,A3BC9D2_tP15_123_bg_c_aegi_h:Cr-Mg-O-Y,15.0,"Invalid WP multiplicities - A3BC9D2_tP15_123_bg_c_a2eg2i_h:Cr-Mg-O-Y, expected Y2MgCr3O15 to be Y2MgCr3O9" +mp-2232673,Y2MgCr3O9,-8.3740142247,-2.5065100188,0.4710790576,0.4710790576,GGA+U,P4/mmm,A3BC9D2_tP15_123_ag_c_bfgi_h:Cr-Mg-O-Y,15.0,"Invalid WP multiplicities - A3BC9D2_tP15_123_ag_c_b2fg2i_h:Cr-Mg-O-Y, expected Y2MgCr3O15 to be Y2MgCr3O9" +mp-2217900,Sr2YMgCrO6,-7.4902001618,-2.8739349066,0.2725720984,0.2725720984,GGA+U,Cm,ABC6D2E_mC22_8_a_a_2a2b_2a_a:Cr-Mg-O-Sr-Y,11.0,ABC6D2E_mC22_8_a_a_2a2b_2a_a:Cr-Mg-O-Sr-Y +mp-2217803,Sr2YMgCrO6,-7.3909537745,-2.7746885193,0.3718184856,0.3718184856,GGA+U,Immm,ABC6D2E_oI22_71_a_c_el_f_b:Cr-Mg-O-Sr-Y,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_a_c_2e3l_f_b:Cr-Mg-O-Sr-Y, expected Sr2YMgCrO16 to be Sr2YMgCrO6" +mp-1047092,Sr2Y2Cr2O7,-8.3904241142,-2.9869744948,0.1299869185,0.1299869185,GGA+U,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Cr-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Cr-O-Sr-Y +mp-1045011,Sr2YCr2O7,-8.0228133954,-2.7079489005,0.2628337773,0.2628337773,GGA+U,Imma,A2B7C2D_oI48_74_h_c2gh_h_a:Cr-O-Sr-Y,24.0,A2B7C2D_oI48_74_h_c2gh_h_a:Cr-O-Sr-Y +mp-1031936,YMg6CrO8,-6.89581516,-2.8148958742,0.2246433246,0.2246433246,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Y, expected YMg6CrO12 to be YMg6CrO8" +mp-1032032,YMg6CrO8,-6.8528778188,-2.7719585329000003,0.2675806659,0.2675806659,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Y, expected YMg6CrO12 to be YMg6CrO8" +mp-1209627,Rb2MoP2O9,-7.3711509843,-2.5030422936,0.0,-0.0138088358,GGA+U,C2/c,AB9C2D2_mC112_15_f_9f_2f_2f:Mo-O-P-Rb,56.0,AB9C2D2_mC112_15_f_9f_2f_2f:Mo-O-P-Rb +mp-1199659,Rb4Te(MoO4)6,-7.2385266114,-1.7853874139,0.1767132845,0.1767132845,GGA+U,C2/c,A6B24C4D_mC140_15_3f_12f_2f_e:Mo-O-Rb-Te,70.0,A6B24C4D_mC140_15_3f_12f_2f_e:Mo-O-Rb-Te +mp-1210317,Rb2Mo3P3O17,-7.779155919,-2.3858905555,0.0,-0.0038535718,GGA+U,P2_1/c,A3B17C3D2_mP100_14_3e_17e_3e_2e:Mo-O-P-Rb,100.0,A3B17C3D2_mP100_14_3e_17e_3e_2e:Mo-O-P-Rb +mp-16856,RbMoP2O7,-7.807149092299999,-2.5999118037,0.0,-0.0878599529,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mo-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Mo-O-P-Rb +mp-818535,Rb2Te(MoO5)3,-6.7094212343,-1.3836281373,0.3793258127,0.3793258127,GGA+U,P2_1/c,A3B15C2D_mP84_14_3e_15e_2e_e:Mo-O-Rb-Te,84.0,A3B15C2D_mP84_14_3e_15e_2e_e:Mo-O-Rb-Te +mp-579214,Rb3Mo4(P2O11)2,-7.7708031395,-2.4130890689,0.0012575358,0.0012575358,GGA+U,C222_1,A4B22C4D3_oC264_20_4c_22c_4c_ab2c:Mo-O-P-Rb,132.0,"Invalid WP multiplicities - A4B22C4D3_oC264_20_14c_86c_13c_2a2b8c:Mo-O-P-Rb, expected Rb10Mo14P13O86 to be Rb3Mo4(P2O11)2" +mp-559696,Rb3Mo4(P2O11)2,-7.7633817079,-2.4056676372,0.0086789675,0.0086789675,GGA+U,P4_32_12,A4B22C4D3_tP132_96_2b_11b_2b_ab:Mo-O-P-Rb,132.0,A4B22C4D3_tP132_96_2b_11b_2b_ab:Mo-O-P-Rb +mp-14530,RbMo2(PO4)3,-7.9643721525,-2.5048162443,0.0006721083,0.0006721083,GGA+U,Pbcm,A2B12C3D_oP72_57_e_2d5e_ce_d:Mo-O-P-Rb,72.0,"Invalid WP multiplicities - A2B12C3D_oP72_57_e_2d9e_ce_d:Mo-O-P-Rb, expected RbMo2P3O20 to be RbMo2(PO4)3" +mp-1199088,Rb4Mo5(PO11)2,-7.6563657885,-2.26836144,0.0,-0.0080426937,GGA+U,C222_1,A5B22C2D4_oC132_20_a2c_2a10c_c_abc:Mo-O-P-Rb,66.0,A5B22C2D4_oC132_20_a2c_2a10c_c_abc:Mo-O-P-Rb +mp-1219951,Rb2Mo2P2O11,-7.670840959299999,-2.4418674768,0.0,-0.0121210198,GGA+U,P2_1,A2B11C2D2_mP68_4_4a_22a_4a_4a:Mo-O-P-Rb,68.0,A2B11C2D2_mP68_4_4a_22a_4a_4a:Mo-O-P-Rb +mp-1198591,RbMoPO6,-7.5966612397,-2.3833702445,0.0,-0.0022718423,GGA+U,Fddd,AB6CD_oF144_70_e_3h_f_g:Mo-O-P-Rb,36.0,AB6CD_oF144_70_e_3h_f_g:Mo-O-P-Rb +mp-1199481,Rb3Te(PO7)2,-5.7946946527000005,-1.4864368987,0.3043186514,0.3043186514,GGA,P2_1/c,A14B2C3D_mP40_14_7e_e_ae_b:O-P-Rb-Te,40.0,A14B2C3D_mP40_14_7e_e_ae_d:O-P-Rb-Te +mp-1209435,RbMo3(PO7)2,-7.9717370222,-2.2918504536,0.0040804366,0.0040804366,GGA+U,P2_1/m,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Rb,40.0,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Rb +mp-560115,Rb3Mo12PO40,-8.0832632096,-2.0766515222,0.0,-0.0253917542,GGA+U,Pn-3m,A12B40CD3_cP112_224_k_e3k_a_d:Mo-O-P-Rb,112.0,"Invalid WP multiplicities - A12B40CD3_cP112_224_k_8e42k_a_d:Mo-O-P-Rb, expected Rb3Mo12PO536 to be Rb3Mo12PO40" +mp-10447,Rb2TeMo2(PO7)2,-7.3541898352,-2.2648602529,0.0,-0.0080910276,GGA+U,Pbcn,A2B14C2D2E_oP84_60_d_7d_d_d_c:Mo-O-P-Rb-Te,84.0,"Invalid WP multiplicities - A2B14C2D2E_oP84_60_d_11d_d_d_c:Mo-O-P-Rb-Te, expected Rb2TeMo2(PO11)2 to be Rb2TeMo2(PO7)2" +mp-15405,RbMo2P3O13,-7.9030497291,-2.4704868313,0.0,-0.016878542,GGA+U,P2_1,A2B13C3D_mP76_4_4a_26a_6a_2a:Mo-O-P-Rb,76.0,"Invalid WP multiplicities - A2B13C3D_mP76_4_4a_28a_8a_4a:Mo-O-P-Rb, expected RbMoP2O7 to be RbMo2P3O13" +mp-1520140,SrMgSnWO6,-7.500106187,-2.5063454014,0.086130168,0.086130168,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Mg-O-Sn-Sr-W,10.0,AB6CDE_cF40_216_a_f_c_d_b:Mg-O-Sn-Sr-W +mp-1026602,Mg14SnW,-2.3389604525,0.1217659716,0.1773121006,0.1773121006,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-W, expected Mg18SnW to be Mg14SnW" +mp-1026585,Mg14SnW,-2.3532399113,0.1074865128,0.1630326418,0.1630326418,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-W, expected Mg26SnW to be Mg14SnW" +mp-1036672,SrMg30SnO32,-6.2362895778,-2.9237660533,0.0918020691,0.0918020691,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sn-Sr,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sn-Sr, expected SrMg110SnO72 to be SrMg30SnO32" +mp-1036693,SrMg30SnO32,-6.2256552161,-2.9131316916000003,0.1024364308,0.1024364308,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sn-Sr,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sn-Sr, expected SrMg90SnO80 to be SrMg30SnO32" +mp-30780,SrMgSn,-2.9960784925,-0.5629633731,0.0,-0.103934858,GGA,Pnma,ABC_oP12_62_c_c_c:Mg-Sn-Sr,12.0,ABC_oP12_62_c_c_c:Mg-Sn-Sr +mp-962075,SrMgSn,-2.2896734267,0.1434416928,0.7064050658000001,0.6024702078,GGA,F-43m,ABC_cF12_216_a_b_c:Mg-Sn-Sr,3.0,ABC_cF12_216_a_b_c:Mg-Sn-Sr +mp-1021407,SrMg6Sn,-1.9412067212,-0.0286135202,0.1957492849,0.1957492849,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-Sr, expected SrMg12Sn to be SrMg6Sn" +mp-1021395,SrMg6Sn,-1.9509982112,-0.0384050102,0.1859577949,0.1859577949,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-Sr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-Sr, expected SrMg12Sn to be SrMg6Sn" +mp-1034287,SrMg14SnO16,-6.1165389109,-2.7649762426,0.2121197029,0.2121197029,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sn-Sr,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sn-Sr, expected SrMg18SnO20 to be SrMg14SnO16" +mp-1034297,SrMg14SnO16,-6.1388720453,-2.7873093769,0.1897865685,0.1897865685,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sn-Sr,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sn-Sr, expected SrMg30SnO32 to be SrMg14SnO16" +mp-1028287,SrMg14Sn,-1.7723797537,-0.0159431282,0.1068395066,0.1068395066,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-Sr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-Sr, expected SrMg18Sn to be SrMg14Sn" +mp-1028280,SrMg14Sn,-1.741188335,0.0152482905,0.1380309253,0.1380309253,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-Sr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-Sr, expected SrMg26Sn to be SrMg14Sn" +mp-1047188,Mg2SnWO6,-7.337666573,-2.3528271277,0.1328352478,0.1328352478,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sn-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Sn-W +mp-1346708,Mg2SnWO6,-7.3173241945,-2.3324847492,0.1531776263,0.1531776263,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-Sn-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-Sn-W +mp-1031499,SrMg6SnO8,-6.0224732562,-2.5928323001,0.3073192914,0.3073192914,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sn-Sr,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sn-Sr, expected SrMg6SnO12 to be SrMg6SnO8" +mp-1031518,SrMg6SnO8,-5.9415533631,-2.511912407,0.3882391845,0.3882391845,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sn-Sr,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sn-Sr, expected SrMg6SnO12 to be SrMg6SnO8" +mp-1021387,Mg6SnW,-3.1001864481,0.22098635,0.3048234581,0.3048234581,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-W, expected Mg12SnW to be Mg6SnW" +mp-1021410,Mg6SnW,-3.0861952231,0.234977575,0.3188146831,0.3188146831,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-W, expected Mg12SnW to be Mg6SnW" +mp-1519158,MgSn2WO6,-7.252585341,-2.0268167152,0.1667793695,0.1667793695,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mg-O-Sn-W,10.0,AB6C2D_cF40_225_a_e_c_b:Mg-O-Sn-W +mp-1521207,NaSrSnWO6,-7.250580628,-2.2845953181,0.1487104074,0.1487104074,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sn-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sn-Sr-W +mp-770785,Na6Mn2B4AsO16,-6.9427150471,-2.2260637639,0.0695769631,0.0695769631,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-B-Mn-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-B-Mn-Na-O, expected Na6Mn2B4AsO108 to be Na6Mn2B4AsO16" +mp-1221176,Na4Mn3BO8,-6.7936279556,-1.8543124237,0.322317328,0.322317328,GGA+U,C2/m,AB3C4D8_mC32_12_a_ci_2i_4i:B-Mn-Na-O,16.0,"Invalid WP multiplicities - AB3C4D8_mC32_12_a_d2i_3i_7i:B-Mn-Na-O, expected Na6Mn5BO14 to be Na4Mn3BO8" +mp-756091,NaMnBO3,-7.7176848983,-2.38368515,0.0184385017,0.0184385017,GGA+U,C2/c,ABCD3_mC24_15_e_a_e_ef:B-Mn-Na-O,24.0,ABCD3_mC24_15_e_c_e_ef:B-Mn-Na-O +mp-771164,Na2MnBAsO7,-6.8987253354,-2.084358916,0.0558023057,0.0558023057,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-B-Mn-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-B-Mn-Na-O, expected Na2MnBAsO13 to be Na2MnBAsO7" +mp-770765,Na3MnBAsO7,-6.7392589637,-2.1934957077,0.0168469636,0.0168469636,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Mn-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Mn-Na-O +mp-773605,Na3Mn(BO3)2,-7.0649102523,-2.3842013372,0.0349996113,0.0349996113,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Mn-Na-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_23e:B-Mn-Na-O, expected Na11MnB7O23 to be Na3Mn(BO3)2" +mp-1221286,Na3Mn2BO6,-7.0142336829,-2.1266394743,0.0985045167,0.0985045167,GGA+U,P-1,AB2C3D6_aP12_2_b_i_ei_3i:B-Mn-Na-O,24.0,AB2C3D6_aP12_2_b_i_ei_3i:B-Mn-Na-O +mp-1518257,EuZrVSnO6,-8.922064793,-2.7642335308,0.1899960252,0.1899960252,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sn-V-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sn-V-Zr +mp-1521493,EuV4SnO12,-8.3642332006,-2.2552075078,0.2805587097,0.2805587097,GGA+U,Cmmm,AB12CD4_oC36_65_a_efno_c_m:Eu-O-Sn-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_65_a_2e2fno_c_m:Eu-O-Sn-V, expected EuV4SnO16 to be EuV4SnO12" +mp-1228204,Ba3CaTiWO9,-8.0455499993,-3.1697936428,0.01687311,0.01687311,GGA+U,P6_3mc,A3BC9DE_hP30_186_a2b_a_3c_b_b:Ba-Ca-O-Ti-W,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_a_5c_b_b:Ba-Ca-O-Ti-W, expected Ba5CaTiWO15 to be Ba3CaTiWO9" +mp-1384639,Ca2TiWO6,-8.436688231,-2.9821928036000003,0.1324970864,0.1324970864,GGA+U,Cm,A2B6CD_mC20_8_2a_2a2b_a_a:Ca-O-Ti-W,10.0,A2B6CD_mC20_8_2a_2a2b_a_a:Ca-O-Ti-W +mp-1367801,Ca2TiWO6,-8.5373077955,-3.0828123681,0.0318775219,0.0318775219,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Ti-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Ti-W +mp-776173,Ti3Cu2Sb(PO4)6,-7.8269829478,-2.6265875383,0.049130781,0.049130781,GGA,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Cu-O-P-Sb-Ti, expected Ti3Cu2Sb(P3O22)3 to be Ti3Cu2Sb(PO4)6" +mp-773874,CuSb3(PO4)6,-7.1688521294,-2.2368946441,0.0021466806,0.0021466806,GGA,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cu-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cu-O-P-Sb, expected CuSb3(PO10)6 to be CuSb3(PO4)6" +mp-780043,Cu3Sb(PO4)4,-6.8759730429,-1.9915209322,0.0675631361,0.0675631361,GGA,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Sb +mp-755148,CuSb(PO4)2,-6.9930710129,-2.1073774618,0.0706905306,0.0706905306,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cu-O-P-Sb,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cu-O-P-Sb, expected CuSb(PO5)3 to be CuSb(PO4)2" +mp-706411,Fe4Sn(CO)16,-7.7572537837,-0.6033261093,0.6790361495,0.6790361495,GGA+U,P2_1/c,A16B4C16D_mP148_14_16e_4e_16e_e:C-Fe-O-Sn,148.0,"Invalid WP multiplicities - A16B4C16D_mP148_14_62e_12e_62e_e:C-Fe-O-Sn, expected Fe12Sn(CO)62 to be Fe4Sn(CO)16" +mp-704255,Mn2Fe3Sn2(CO)19,-7.748539756,-0.6133182494,0.7122513399,0.7122513399,GGA+U,P2_1/c,A19B3C2D19E2_mP180_14_19e_3e_2e_19e_2e:C-Fe-Mn-O-Sn,180.0,"Invalid WP multiplicities - A19B3C2D19E2_mP180_14_67e_9e_4e_72e_5e:C-Fe-Mn-O-Sn, expected Mn4Fe9Sn5C67O72 to be Mn2Fe3Sn2(CO)19" +mp-653267,Fe6Sn2(CO)23,-7.7065795285,-0.5793125349,0.6988831848,0.6988831848,GGA+U,P-1,A23B6C23D2_aP108_2_23i_6i_23i_2i:C-Fe-O-Sn,108.0,"Invalid WP multiplicities - A23B6C23D2_aP108_2_46i_11i_45i_4i:C-Fe-O-Sn, expected Fe11Sn4C46O45 to be Fe6Sn2(CO)23" +mp-1517400,SrZrVSnO6,-8.065495774,-2.7644153464,0.1818701082,0.1818701082,GGA+U,F-43m,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-V-Zr,10.0,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-V-Zr +mp-2226531,Pr2MgTi2S2O5,-7.939610445,-2.9429922047,0.1734038538,0.1734038538,GGA,I-4m2,AB5C2D2E2_tI24_119_c_a2f_e_e_e:Mg-O-Pr-S-Ti,12.0,"Invalid WP multiplicities - AB5C2D2E2_tI24_119_c_a4f_e_e_e:Mg-O-Pr-S-Ti, expected Pr2MgTi2S2O9 to be Pr2MgTi2S2O5" +mp-2218267,Pr2MgTi2S2O5,-7.8829780742,-2.8863598339000003,0.2300362246,0.2300362246,GGA,I4/mmm,AB5C2D2E2_tI24_139_a_bg_e_e_e:Mg-O-Pr-S-Ti,12.0,"Invalid WP multiplicities - AB5C2D2E2_tI24_139_a_b2g_e_e_e:Mg-O-Pr-S-Ti, expected Pr2MgTi2S2O9 to be Pr2MgTi2S2O5" +mp-556737,Pr6Ti2S7O6,-7.8622181793,-2.9521372317,0.0056085333,0.0056085333,GGA,P2_1/m,A6B6C7D2_mP42_11_6e_6e_7e_2e:O-Pr-S-Ti,42.0,"Invalid WP multiplicities - A6B6C7D2_mP42_11_11e_12e_14e_3e:O-Pr-S-Ti, expected Pr12Ti3S14O11 to be Pr6Ti2S7O6" +mp-552963,Pr2Ti2S2O5,-8.5677553127,-3.2623790552,0.0,-0.0293101939,GGA,I4/mmm,A5B2C2D2_tI22_139_ag_e_e_e:O-Pr-S-Ti,11.0,"Invalid WP multiplicities - A5B2C2D2_tI22_139_a2g_e_e_e:O-Pr-S-Ti, expected Pr2Ti2S2O9 to be Pr2Ti2S2O5" +mp-1195200,Co2H36Pt3(NCl)12,-4.8740295251,-0.6157441068,0.0875288673,0.0875288673,GGA,P-1,A12B2C36D12E3_aP65_2_6i_be_18i_6i_ai:Cl-Co-H-N-Pt,65.0,A12B2C36D12E3_aP65_2_6i_be_18i_6i_ai:Cl-Co-H-N-Pt +mp-24227,H8Pt(NCl3)2,-4.4376443988,-0.8507531347,0.0,-0.0727925368,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Pt,17.0,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Pt +mp-1212694,HPtN5Cl4,-4.0180196773,1.3038421982,1.7633229299000002,1.7633229299000002,GGA,R3m,A4BC5D_hR99_160_2bc_b_3bc_b:Cl-H-N-Pt,33.0,A4BC5D_hR99_160_2bc_b_3bc_b:Cl-H-N-Pt +mp-1226079,CoH6(NCl)2,-4.9835043064,-0.6348918305,0.0630610401,0.0630610401,GGA,C2,A2BC6D2_mC22_5_2a_b_3c_c:Cl-Co-H-N,11.0,"Invalid WP multiplicities - A2BC6D2_mC22_5_2a_b_5c_c:Cl-Co-H-N, expected CoH10(NCl)2 to be CoH6(NCl)2" +mp-643913,CoH6(NCl)2,-4.9909792636,-0.6423667877,0.0555860828,0.0555860828,GGA,Imma,A2BC6D2_oI44_74_i_e_hj_h:Cl-Co-H-N,22.0,A2BC6D2_oI44_74_i_e_hj_h:Cl-Co-H-N +mp-1198548,H24Pt(N4Cl)2,-5.0500745119,-0.5390576227,0.0,-0.01991812,GGA,P2_1/c,A2B24C8D_mP70_14_e_12e_4e_a:Cl-H-N-Pt,70.0,A2B24C8D_mP70_14_e_12e_4e_a:Cl-H-N-Pt +mp-1517680,KNdDySbO6,-7.248438492,-2.8189918193,0.1611513402,0.1611513402,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-K-Nd-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-K-Nd-O-Sb +mp-1522099,KPrHfInO6,-7.559724013,-2.73169304,0.1962753188,0.1962753188,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Hf-In-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Hf-In-K-O-Pr +mp-705896,MgVFeMo3O14,-8.1585959823,-2.1113560014,0.0202558357,0.0202558357,GGA+U,P2_1,ABC3D14E_mP40_4_a_a_3a_14a_a:Fe-Mg-Mo-O-V,40.0,"Invalid WP multiplicities - ABC3D14E_mP40_4_a_a_5a_28a_a:Fe-Mg-Mo-O-V, expected MgVFeMo5O28 to be MgVFeMo3O14" +mp-1208570,V2Fe4Mo3O20,-8.286586366,-1.9583580372,0.0170704082,0.0170704082,GGA+U,P4_122,A4B3C20D2_tP116_91_2d_ad_10d_ab:Fe-Mo-O-V,116.0,A4B3C20D2_tP116_91_2d_ad_10d_ab:Fe-Mo-O-V +mp-19180,VFeMoO7,-8.3250358,-2.0223959631,0.0142190802,0.0142190802,GGA+U,P-1,ABC7D_aP20_2_i_i_7i_i:Fe-Mo-O-V,20.0,"Invalid WP multiplicities - ABC7D_aP20_2_i_i_9i_i:Fe-Mo-O-V, expected VFeMoO9 to be VFeMoO7" +mp-695554,Mg7VFeMo15O56,-8.0472136103,-2.1915235214,0.0113359111,0.0113359111,GGA+U,P1,AB7C15D56E_aP80_1_a_7a_15a_56a_a:Fe-Mg-Mo-O-V,80.0,AB7C15D56E_aP80_1_a_7a_15a_56a_a:Fe-Mg-Mo-O-V +mp-1097660,V2FeMo,-5.4110216625,3.9598492025,4.0855964884,4.0855964884,GGA,Immm,ABC2_oI8_71_a_b_e:Fe-Mo-V,4.0,ABC2_oI8_71_a_b_e:Fe-Mo-V +mp-1520309,KEuSnBiO6,-6.9262630210000005,-2.0365036211,0.1807704826,0.1807704826,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Sn +mp-1193546,Rb2PtC4(N2Cl)2,-6.7466953181,-0.4397786677,0.2509513365,0.2509513365,GGA,P-1,A4B2C4DE2_aP26_2_4i_2i_4i_be_2i:C-Cl-N-Pt-Rb,26.0,A4B2C4DE2_aP26_2_4i_2i_4i_be_2i:C-Cl-N-Pt-Rb +mp-729934,PtC4(NCl3)2,-5.0048165023,0.4374915823,0.8981598309000001,0.8981598309000001,GGA,Immm,A4B6C2D_oI26_71_m_el_f_a:C-Cl-N-Pt,13.0,A4B6C2D_oI26_71_m_el_f_a:C-Cl-N-Pt +mp-23350,Rb2PtCl6,-3.7605173144,-1.6356927117,0.0,-0.257654069,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Pt-Rb,9.0,A6BC2_cF36_225_e_a_c:Cl-Pt-Rb +mp-1189040,PtC8(NCl3)2,-4.3389018124,1.9943138976,2.3465896172000003,2.3465896172000003,GGA,Fm-3m,A8B6C2D_cF68_225_f_e_c_a:C-Cl-N-Pt,17.0,A8B6C2D_cF68_225_f_e_c_a:C-Cl-N-Pt +mp-1519450,KBaCeBiO6,-6.879171375,-2.6308629311,0.0,-0.0340854706,GGA,Pnnn,ABCDE6_oP40_48_ab_e_f_cd_3m:Ba-Bi-Ce-K-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_e_f_2c2d_6m:Ba-Bi-Ce-K-O, expected K2BaCeBiO12 to be KBaCeBiO6" +mp-1519349,KBaCeBiO6,-6.872385795,-2.624077351,0.00678558,-0.0272998906,GGA,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ce-K-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Bi-Ce-K-O +mp-1216372,VFe3(CuO2)4,-7.1049838019,-1.4509646725,0.0055568875,0.0055568875,GGA+U,R-3m,A4B3C8D_hR48_166_2c_ac_4c_b:Cu-Fe-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_2c_a2c_8c_b:Cu-Fe-O-V, expected VFe5(CuO4)4 to be VFe3(CuO2)4" +mp-1101238,V4FeCuO12,-8.1054114117,-2.0906827064,0.0286952887,0.0286952887,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cu-Fe-O-V,36.0,ABC12D4_mC36_5_a_b_6c_2c:Cu-Fe-O-V +mp-773088,V3Fe2CuO12,-7.8962329531,-1.9156089622,0.0475361934,0.0475361934,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Cu-Fe-O-V,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_3i_23i_5i:Cu-Fe-O-V, expected V5Fe3CuO23 to be V3Fe2CuO12" +mp-807992,V3Fe2CuO12,-5.986410925,-0.0057869342,1.9573582214,1.9573582214,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Cu-Fe-O-V,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_3i_23i_5i:Cu-Fe-O-V, expected V5Fe3CuO23 to be V3Fe2CuO12" +mp-1216360,VFe(CuO2)2,-7.2182989813,-1.5259120481,0.0653832987,0.0653832987,GGA+U,R-3m,A2BC4D_hR24_166_c_a_2c_b:Cu-Fe-O-V,8.0,"Invalid WP multiplicities - A2BC4D_hR24_166_c_a_4c_b:Cu-Fe-O-V, expected VFe(CuO4)2 to be VFe(CuO2)2" +mp-780863,Li4V2Fe3Cu3O16,-6.8258115175,-1.7308755665,0.0997504664,0.0997504664,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-V, expected Li4V2Fe3Cu3O20 to be Li4V2Fe3Cu3O16" +mp-807977,Li3V6Fe4(CuO12)2,-6.0549306141,-0.3875144021,1.6971620027,1.6971620027,GGA+U,P-1,A2B4C3D24E6_aP39_2_i_2i_ai_12i_3i:Cu-Fe-Li-O-V,39.0,"Invalid WP multiplicities - A2B4C3D24E6_aP39_2_i_3i_a2i_23i_5i:Cu-Fe-Li-O-V, expected Li5V10Fe6(CuO23)2 to be Li3V6Fe4(CuO12)2" +mp-772865,Li3V6Fe4(CuO12)2,-7.7163554497,-2.0489392377,0.0357371671,0.0357371671,GGA+U,P-1,A2B4C3D24E6_aP39_2_i_2i_ai_12i_3i:Cu-Fe-Li-O-V,39.0,"Invalid WP multiplicities - A2B4C3D24E6_aP39_2_i_3i_a2i_23i_5i:Cu-Fe-Li-O-V, expected Li5V10Fe6(CuO23)2 to be Li3V6Fe4(CuO12)2" +mp-1216357,VFe2(CuO2)3,-7.1608772058,-1.4940688085,0.0073773471,0.0073773471,GGA+U,P-3m1,A3B2C6D_hP12_164_ad_d_c2d_b:Cu-Fe-O-V,12.0,"Invalid WP multiplicities - A3B2C6D_hP12_164_ad_d_c4d_b:Cu-Fe-O-V, expected VFe2Cu3O10 to be VFe2(CuO2)3" +mp-1216789,V2Fe(CuO2)3,-7.373485435,-1.655519966,0.0256245721,0.0256245721,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Cu-Fe-O-V,12.0,"Invalid WP multiplicities - A3BC6D2_mC24_12_ai_c_6i_i:Cu-Fe-O-V, expected V2Fe(CuO4)3 to be V2Fe(CuO2)3" +mp-558156,V6Fe4(CuO8)3,-7.8585634141,-1.92878854,0.0215993036,0.0215993036,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Cu-Fe-O-V,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_24i_6i:Cu-Fe-O-V, expected V12Fe4(CuO16)3 to be V6Fe4(CuO8)3" +mp-1191729,LiHo(WO4)2,-8.667302319200001,-2.6688771619,0.0,-0.0063278853,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Ho-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Ho-Li-O-W +mp-1228762,Ba2Li3Ho3(WO4)8,-8.5679752429,-2.6248288744,0.0593231654,0.0593231654,GGA+U,P1,A2B3C3D32E8_aP48_1_2a_3a_3a_32a_8a:Ba-Ho-Li-O-W,48.0,A2B3C3D32E8_aP48_1_2a_3a_3a_32a_8a:Ba-Ho-Li-O-W +mp-772977,Ba10LiW7O30,-8.1323573154,-2.7113938735,0.0619324376,0.0619324376,GGA+U,P3m1,A10BC30D7_hP48_156_3a3b4c_a_10d_3a4b:Ba-Li-O-W,48.0,"Invalid WP multiplicities - A10BC30D7_hP48_156_3a3b4c_a_30d_3a4b:Ba-Li-O-W, expected Ba10LiW7O90 to be Ba10LiW7O30" +mp-1210950,LiHoW2,-7.38677718,0.7151208692000001,0.7151208692000001,0.7151208692000001,GGA,Pmma,ABC2_oP8_51_e_f_k:Ho-Li-W,8.0,ABC2_oP8_51_e_f_k:Ho-Li-W +mp-557816,Ba5Li2(WO5)3,-7.8402516488,-2.7807539771,0.0,-0.016684194,GGA+U,P6_3mc,A5B2C15D3_hP50_186_2a3b_ab_5c_3b:Ba-Li-O-W,50.0,"Invalid WP multiplicities - A5B2C15D3_hP50_186_4a6b_ab_22c_4b:Ba-Li-O-W, expected Ba5LiW2O33 to be Ba5Li2(WO5)3" +mp-770708,Na3SiBSbO7,-6.6377607865,-2.420214025,0.0803399625,0.0803399625,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-Sb-Si,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:B-Na-O-Sb-Si, expected Na4SiBSbO13 to be Na3SiBSbO7" +mp-771025,Na2SiBSbO7,-6.9393964767,-2.4805979261,0.0789600367,0.0789600367,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Na-O-Sb-Si,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:B-Na-O-Sb-Si, expected Na2SiBSbO13 to be Na2SiBSbO7" +mp-1516349,SrEuNiWO6,-8.579223318,-2.5427338749,0.0403669252,0.0403669252,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Ni-O-Sr-W +mp-1224359,K5Sm(MoO4)4,-7.4648816362,-2.3571816096,0.005754194,0.005754194,GGA+U,P2/m,A5B4C16D_mP26_10_cmn_mn_2m2n2o_e:K-Mo-O-Sm,26.0,"Invalid WP multiplicities - A5B4C16D_mP26_10_a2m2n_2m2n_4m4n8o_e:K-Mo-O-Sm, expected K9Sm(MoO6)8 to be K5Sm(MoO4)4" +mp-1233342,K2Sm2Mg(MoO4)4,-7.9118435304,-2.480328729,0.1035924769,0.1035924769,GGA+U,P1,A2BC4D16E2_aP25_1_2a_a_4a_16a_2a:K-Mg-Mo-O-Sm,25.0,A2BC4D16E2_aP25_1_2a_a_4a_16a_2a:K-Mg-Mo-O-Sm +mp-1233579,K2Sm2Mg(MoO4)4,-7.92314589,-2.4916310886,0.0922901173,0.0922901173,GGA+U,P1,A2BC4D16E2_aP25_1_2a_a_4a_16a_2a:K-Mg-Mo-O-Sm,25.0,A2BC4D16E2_aP25_1_2a_a_4a_16a_2a:K-Mg-Mo-O-Sm +mp-1233363,K2Sm2Mg(MoO4)4,-7.8970232068,-2.4655084054,0.1184128005,0.1184128005,GGA+U,C2,A2BC4D16E2_mC50_5_ab_a_2c_8c_ab:K-Mg-Mo-O-Sm,25.0,"Invalid WP multiplicities - A2BC4D16E2_mC50_5_ab_a_4c_16c_ab:K-Mg-Mo-O-Sm, expected K2Sm2Mg(MoO4)8 to be K2Sm2Mg(MoO4)4" +mp-1211306,KSm(MoO4)2,-8.1137042613,-2.5225546786,0.01769366,-0.0123277796,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Sm,24.0,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Sm +mp-1211523,KSm(MoO4)2,-8.1313979213,-2.5402483386,0.0,-0.0300214396,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Sm,48.0,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Sm +mp-1223359,KSm(MoO4)2,-8.096612595,-2.5054630123,0.0347853262,0.0047638867,GGA+U,I-4,AB2C8D_tI24_82_a_bc_2g_d:K-Mo-O-Sm,12.0,"Invalid WP multiplicities - AB2C8D_tI24_82_a_bc_6g_d:K-Mo-O-Sm, expected KSm(MoO12)2 to be KSm(MoO4)2" +mp-1282288,Sr2CrWO6,-8.3310994725,-2.7640697851,0.002808717,-0.003767804,GGA+U,P4/mmm,AB6C2D_tP20_123_ad_ghjk_i_bc:Cr-O-Sr-W,20.0,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-W +mp-1207052,Sr2CrWO6,-8.3339081895,-2.7668785021,0.0,-0.006576521,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cr-O-Sr-W,20.0,AB6C2D_tI20_139_a_eh_d_b:Cr-O-Sr-W +mp-631277,SrCrW2,-7.85492783,1.4597725158,1.4597725158,1.4597725158,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Sr-W,4.0,ABC2_cF16_225_a_b_c:Cr-Sr-W +mp-1518288,SrEuCrWO6,-9.100262663,-2.6764821409,0.0567973686,0.0567973686,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-W,,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-W +mp-1397424,Ca2NiWO6,-7.745393354,-2.5024334602,0.106510789,0.100301184,GGA+U,C2,A2BC6D_mC20_5_c_a_3c_b:Ca-Ni-O-W,10.0,A2BC6D_mC20_5_c_a_3c_b:Ca-Ni-O-W +mp-19114,Ca2NiWO6,-7.851904143,-2.6089442492,0.0,-0.006209605,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Ni-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Ni-O-W +mp-556384,Ca2NiWO6,-7.750244403,-2.5072845092,0.10165974,0.095450135,GGA+U,Pnnm,A2BC6D_oP20_58_e_a_gh_c:Ca-Ni-O-W,20.0,"Invalid WP multiplicities - A2BC6D_oP20_58_e_a_4g4h_c:Ca-Ni-O-W, expected Ca2NiWO24 to be Ca2NiWO6" +mp-1341945,Ca3Ni2(WO6)2,-7.6707100111,-2.2573627482,0.1055328862,0.1055328862,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Ni-O-W,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Ni-O-W +mp-1369423,Ca3Ni2(WO6)2,-7.5411060774,-2.1277588145,0.2351368199,0.2351368199,GGA+U,P2,A3B2C12D2_mP19_3_2ad_ad_6e_bc:Ca-Ni-O-W,19.0,"Invalid WP multiplicities - A3B2C12D2_mP19_3_2ab_ab_11e_cd:Ca-Ni-O-W, expected Ca3Ni2(WO11)2 to be Ca3Ni2(WO6)2" +mp-1345055,CaNiWO6,-7.4600420322,-1.8573754703,0.2321328142,0.2321328142,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Ca-Ni-O-W,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_9a_a:Ca-Ni-O-W, expected CaNiWO9 to be CaNiWO6" +mp-1370979,CaNiWO6,-7.388138305,-1.7854717431,0.3040365414,0.3040365414,GGA+U,Pnn2,ABC6D_oP18_34_a_a_3c_b:Ca-Ni-O-W,18.0,"Invalid WP multiplicities - ABC6D_oP18_34_a_a_8c_b:Ca-Ni-O-W, expected CaNiWO16 to be CaNiWO6" +mp-1047481,Mg2CuWO6,-7.246265874,-2.2524629472,0.0879580295,0.0879580295,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Cu-Mg-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Cu-Mg-O-W +mp-1333042,Mg2CuWO6,-7.2551159615,-2.2613130348,0.079107942,0.079107942,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Cu-Mg-O-W +mp-1043299,MgCu3(WO3)4,-7.9525572105,-1.6980229348,0.2547935536,0.2547935536,GGA+U,P-1,A3BC12D4_aP20_2_aef_g_6i_bcdh:Cu-Mg-O-W,20.0,"Invalid WP multiplicities - A3BC12D4_aP20_2_aef_g_11i_bcdh:Cu-Mg-O-W, expected MgCu3(W2O11)2 to be MgCu3(WO3)4" +mp-2218297,MgCu2(WO4)2,-7.6513675877,-1.8599473154,0.1486153697,0.1486153697,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Cu-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Cu-Mg-O-W +mp-2218345,MgCu2(WO4)2,-7.6446328654,-1.8532125931,0.155350092,0.155350092,GGA+U,P2,A2BC8D2_mP13_3_bd_a_4e_ac:Cu-Mg-O-W,13.0,A2BC8D2_mP13_3_bd_a_4e_ac:Cu-Mg-O-W +mp-2218547,MgCu2(WO4)2,-7.6899043562,-1.8984840838,0.1100786012,0.1100786012,GGA+U,P2,A2BC8D2_mP13_3_ac_a_4e_bd:Cu-Mg-O-W,13.0,A2BC8D2_mP13_3_ac_a_4e_bd:Cu-Mg-O-W +mp-1041401,MgCu2(WO4)2,-7.6390187313,-1.847598459,0.1609642261,0.1609642261,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-W,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-W, expected MgCu6W5O26 to be MgCu2(WO4)2" +mp-1181628,DyCu(WO4)2,-8.5653266758,-2.3823463708,0.0372517844,0.0372517844,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cu-Dy-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cu-Dy-O-W +mp-505168,DyCu(WO4)2,-8.5646187608,-2.3816384558,0.0379596994,0.0379596994,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Cu-Dy-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Cu-Dy-O-W, expected DyCu(WO8)2 to be DyCu(WO4)2" +mp-2219016,DyMgCu(WO4)2,-8.2739282462,-2.4434633454,0.1244161676,0.1244161676,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Dy-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Dy-Mg-O-W +mp-2227830,DyMgCu(WO4)2,-8.2377874515,-2.4073225508,0.1605569622,0.1605569622,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Dy-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Dy-Mg-O-W +mp-1041919,MgCuW2O7,-8.0389540386,-2.0169023878,0.1809636392,0.1809636392,GGA+U,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Cu-Mg-O-W,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Cu-Mg-O-W, expected Mg4Cu4(W3O13)3 to be MgCuW2O7" +mp-1213479,Dy2Cu(WO4)4,-8.7584699176,-2.4848907589,0.0378235583,0.0378235583,GGA+U,C2/c,AB2C16D4_mC92_15_e_f_8f_2f:Cu-Dy-O-W,46.0,AB2C16D4_mC92_15_e_f_8f_2f:Cu-Dy-O-W +mp-1517968,SrCrSnWO6,-8.024403687,-2.2253661594,0.1805727788,0.1805727788,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Cr-O-Sn-Sr-W,10.0,AB6CDE_cF40_216_a_f_c_d_b:Cr-O-Sn-Sr-W +mp-1220522,NbVCo,-8.92492601,-0.160416375,0.0100048409,0.0100048409,GGA,Amm2,ABC_oC24_38_cd_2c_abe:Co-Nb-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_3c_abe:Co-Nb-V, expected Nb3(VCo)2 to be NbVCo" +mp-1177325,Li4Nb2V3Co3O16,-7.8897444625,-2.3339590153,0.0992998295,0.0992998295,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Nb-O-V,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Nb-O-V +mp-754740,Li4Nb2V3Co3O16,-7.8728946475,-2.3171092003,0.1161496445,0.1161496445,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Co-Li-Nb-O-V, expected Li4Nb2V3Co3O20 to be Li4Nb2V3Co3O16" +mp-1220600,NbVCo6,-7.87225839,-0.142868655,0.0230383017,0.0230383017,GGA,R3m,A6BC_hR72_160_6b_3a_3a:Co-Nb-V,24.0,"Invalid WP multiplicities - A6BC_hR72_160_17b_3a_3a:Co-Nb-V, expected NbVCo17 to be NbVCo6" +mp-775754,Li4Nb3V2Co3O16,-7.93346856,-2.3413474353,0.145113534,0.145113534,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Nb-O-V, expected Li4Nb3V2Co3O20 to be Li4Nb3V2Co3O16" +mp-763698,Li4Nb3V3(CoO8)2,-8.1253576996,-2.4626798508,0.1157573549,0.1157573549,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Co-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Co-Li-Nb-O-V, expected Li4Nb3V3(CoO10)2 to be Li4Nb3V3(CoO8)2" +mp-1223132,La4Ni3WO12,-8.142024106,-2.6718824448,0.1585844274,0.1585844274,GGA+U,P4/mmm,A4B3C12D_tP20_123_i_abc_ghjk_d:La-Ni-O-W,20.0,"Invalid WP multiplicities - A4B3C12D_tP20_123_i_abc_2g2h4j4k_d:La-Ni-O-W, expected La4Ni3WO40 to be La4Ni3WO12" +mp-1228484,Ba2La2Ni(WO6)2,-8.3794245526,-2.8653916176000003,0.0493301279,0.0493301279,GGA+U,R-3m,A2B2CD12E2_hR57_166_c_c_a_2h_c:Ba-La-Ni-O-W,19.0,A2B2CD12E2_hR57_166_c_c_a_2h_c:Ba-La-Ni-O-W +mp-1227939,BaLa3(NiO4)2,-7.6806102507,-2.8334117289,0.0325354333,0.0325354333,GGA+U,Amm2,AB3C2D8_oC28_38_a_a2b_ab_2a2bf:Ba-La-Ni-O,14.0,AB3C2D8_oC28_38_a_a2b_ab_2a2bf:Ba-La-Ni-O +mp-1205988,La2NiWO6,-8.48117084,-2.6521295013,0.3214194765,0.3214194765,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:La-Ni-O-W +mp-757800,LiCuCO3,-6.6542277211,-1.6414175273,0.0867877922,0.0867877922,GGA,P1,ABCD3_aP54_1_9a_9a_9a_27a:C-Cu-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:C-Cu-Li-O +mp-759711,LiCuCO3,-6.6300260504,-1.6172158566,0.110989463,0.110989463,GGA,P1,ABCD3_aP54_1_9a_9a_9a_27a:C-Cu-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:C-Cu-Li-O +mp-760512,LiCuCO3,-6.6620195667,-1.6492093728,0.0789959467,0.0789959467,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:C-Cu-Li-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:C-Cu-Li-O, expected LiCuCO5 to be LiCuCO3" +mp-781314,LiCuCO3,-3.7921950875,1.2206151063,2.9488204258,2.9488204258,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:C-Cu-Li-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:C-Cu-Li-O, expected LiCuCO5 to be LiCuCO3" +mp-1390274,LiCuCO3,-6.143974985,-1.1311647912,0.5970405283,0.5970405283,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:C-Cu-Li-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:C-Cu-Li-O, expected LiCuCO5 to be LiCuCO3" +mp-759640,LiCuCO3,-6.6671915454,-1.6543813516,0.0738239679,0.0738239679,GGA,Pc,ABCD3_mP24_7_2a_2a_2a_6a:C-Cu-Li-O,24.0,ABCD3_mP24_7_4a_4a_4a_12a:C-Cu-Li-O +mp-753152,LiCuCO3,-6.63249309,-1.6196828962,0.1085224233,0.1085224233,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-Cu-Li-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_9e:C-Cu-Li-O, expected LiCuCO9 to be LiCuCO3" +mp-753425,LiCuCO3,-6.6941312292,-1.6813210353,0.0468842842,0.0468842842,GGA,Cmme,ABCD3_oC24_67_g_c_g_gm:C-Cu-Li-O,12.0,"Invalid WP multiplicities - ABCD3_oC24_67_g_c_g_2g3m:C-Cu-Li-O, expected LiCuCO8 to be LiCuCO3" +mp-752638,LiCuCO3,-6.6978302892,-1.6850200953,0.0431852242,0.0431852242,GGA,Ibca,ABCD3_oI48_73_c_d_e_cf:C-Cu-Li-O,24.0,"Invalid WP multiplicities - ABCD3_oI48_73_c_d_e_3c4f:C-Cu-Li-O, expected LiCuCO11 to be LiCuCO3" +mp-758997,LiCuCO3,-6.6487346033,-1.6359244095,0.09228091,0.09228091,GGA,P-6,ABCD3_hP18_174_acf_j_k_2jk:C-Cu-Li-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_174_acf_j_k_4j2k:C-Cu-Li-O, expected LiCuCO6 to be LiCuCO3" +mp-760509,LiCuCO3,-6.6147296678,-1.601919474,0.1262858456,0.1262858456,GGA,P-6,ABCD3_hP18_174_acf_k_j_2jk:C-Cu-Li-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_174_acf_k_j_3j3k:C-Cu-Li-O, expected LiCuCO6 to be LiCuCO3" +mp-1218825,Sr2CuCO5,-6.9210884844,-2.316610415,0.1078143314,0.1078143314,GGA,Pmm2,ABC5D2_oP9_25_c_a_abce_f:C-Cu-O-Sr,9.0,ABC5D2_oP9_25_c_a_abce_f:C-Cu-O-Sr +mp-1198030,Sr2CuCO5,-6.9900453772,-2.3855673077,0.0388574386,0.0388574386,GGA,I-4,ABC5D2_tI72_82_g_g_5g_2e2f:C-Cu-O-Sr,36.0,ABC5D2_tI72_82_g_g_5g_2e2f:C-Cu-O-Sr +mp-6312,Sr2CuCO5,-6.98561872,-2.3811406505,0.0432840958,0.0432840958,GGA,I4/m,ABC5D2_tI72_87_h_f_h2i_2eg:C-Cu-O-Sr,36.0,ABC5D2_tI72_87_h_f_h2i_2eg:C-Cu-O-Sr +mp-1147662,Sr2CuCO5,-6.9842085761,-2.3797305066,0.0446942397,0.0446942397,GGA,I-42m,ABC5D2_tI36_121_e_ab_e2i_h:C-Cu-O-Sr,,"Invalid WP multiplicities - ABC5D2_tI36_121_e_ab_2e6i_h:C-Cu-O-Sr, expected Sr2CuCO14 to be Sr2CuCO5" +mp-753353,Sr4LiCu(CO5)2,-7.0111694439,-2.5283738079,0.0,-0.0049856074,GGA,I-42m,A2BCD10E4_tI36_121_e_a_b_e2i_h:C-Cu-Li-O-Sr,18.0,"Invalid WP multiplicities - A2BCD10E4_tI36_121_e_a_b_2e6i_h:C-Cu-Li-O-Sr, expected Sr4LiCu(CO14)2 to be Sr4LiCu(CO5)2" +mp-762515,Li2Cu3(CO3)3,-6.7674851401,-1.5720933388,0.0712218264,0.0712218264,GGA,P1,A3B3C2D9_aP102_1_18a_18a_12a_54a:C-Cu-Li-O,102.0,A3B3C2D9_aP102_1_18a_18a_12a_54a:C-Cu-Li-O +mp-758178,Li2Cu3(CO3)3,-6.7436806979,-1.5482888966,0.0950262685,0.0950262685,GGA,Pm,A3B3C2D9_mP34_6_2a2bc_3c_2a2b_6a6b3c:C-Cu-Li-O,34.0,A3B3C2D9_mP34_6_2a2bc_3c_2a2b_6a6b3c:C-Cu-Li-O +mp-758427,Li2Cu3(CO3)3,-6.7677293868,-1.5723375855,0.0709775797,0.0709775797,GGA,Pm,A3B3C2D9_mP34_6_ab2c_3c_2a2b_3a3b6c:C-Cu-Li-O,34.0,A3B3C2D9_mP34_6_ab2c_3c_2a2b_3a3b6c:C-Cu-Li-O +mp-758620,LiCu2(CO3)3,-6.9830178417,-1.4954491026,0.1188288965,0.1188288965,GGA,P1,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Cu-Li-O,30.0,A3B2CD9_aP30_1_6a_4a_2a_18a:C-Cu-Li-O +mp-758383,LiCu3(CO3)3,-6.8428141602,-1.4420180505,0.105795691,0.105795691,GGA,P1,A3B3CD9_aP48_1_9a_9a_3a_27a:C-Cu-Li-O,48.0,A3B3CD9_aP48_1_9a_9a_3a_27a:C-Cu-Li-O +mp-758505,LiCu3(CO3)3,-6.8595488594,-1.4587527497,0.0890609919,0.0890609919,GGA,P1,A3B3CD9_aP48_1_9a_9a_3a_27a:C-Cu-Li-O,48.0,A3B3CD9_aP48_1_9a_9a_3a_27a:C-Cu-Li-O +mp-758020,LiCu3(CO3)3,-6.8380469425,-1.4372508328,0.1105629088,0.1105629088,GGA,Pm,A3B3CD9_mP32_6_2a2bc_3c_ab_6a6b3c:C-Cu-Li-O,32.0,A3B3CD9_mP32_6_2a2bc_3c_ab_6a6b3c:C-Cu-Li-O +mp-758450,LiCu3(CO3)3,-6.8654610025,-1.4646648928,0.0831488488,0.0831488488,GGA,Pm,A3B3CD9_mP32_6_ab2c_3c_ab_3a3b6c:C-Cu-Li-O,32.0,A3B3CD9_mP32_6_ab2c_3c_ab_3a3b6c:C-Cu-Li-O +mp-1176814,LiCu2(C2O5)2,-7.2283177959,-1.5525010142,0.1056866024,0.1056866024,GGA,Cc,A4B2CD10_mC68_9_4a_2a_a_10a:C-Cu-Li-O,34.0,"Invalid WP multiplicities - A4B2CD10_mC68_9_6a_3a_a_18a:C-Cu-Li-O, expected LiCu3(CO3)6 to be LiCu2(C2O5)2" +mp-757660,Li2CuCO4,-6.4341444131,-1.8175853205,0.1048528806,0.1048528806,GGA,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:C-Cu-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:C-Cu-Li-O, expected Li3CuCO11 to be Li2CuCO4" +mp-757669,LiCuC2O5,-7.0860401906,-1.619495293,0.1227562306,0.1227562306,GGA,C2/c,A2BCD5_mC72_15_2f_2e_f_5f:C-Cu-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_3e_f_17f:C-Cu-Li-O, expected Li2Cu3(C7O17)2 to be LiCuC2O5" +mp-1176771,LiCu2C2O7,-6.7554757592,-1.4895184116,0.0857431044,0.0857431044,GGA,P1,A2B2CD7_aP24_1_4a_4a_2a_14a:C-Cu-Li-O,24.0,A2B2CD7_aP24_1_4a_4a_2a_14a:C-Cu-Li-O +mp-752890,LiCu2C2O7,-6.7552844813,-1.4893271337,0.0859343823,0.0859343823,GGA,P-1,A2B2CD7_aP24_2_2i_2i_ab_7i:C-Cu-Li-O,24.0,A2B2CD7_aP24_1_4a_4a_2a_14a:C-Cu-Li-O +mp-880318,LiCu2C2O7,-6.7160763867,-1.4501190391,0.1251424769,0.1251424769,GGA,Cc,A2B2CD7_mC48_9_2a_2a_a_7a:C-Cu-Li-O,24.0,A2B2CD7_aP24_1_4a_4a_2a_14a:C-Cu-Li-O +mp-1176775,LiCu2C2O7,-6.7644390794,-1.4984817318,0.0767797842,0.0767797842,GGA,P2_1/c,A2B2CD7_mP48_14_2e_2e_e_7e:C-Cu-Li-O,48.0,"Invalid WP multiplicities - A2B2CD7_mP48_14_7e_3e_e_23e:C-Cu-Li-O, expected LiCu3C7O23 to be LiCu2C2O7" +mp-727112,SrCu(C2O5)2,-7.3014195861,-1.5407790107,0.4169608406,0.4169608406,GGA,Pbca,A4BC10D_oP128_61_4c_c_10c_c:C-Cu-O-Sr,128.0,A4BC10D_oP128_61_4c_c_10c_c:C-Cu-O-Sr +mp-1178348,Li2Cu2C2O7,-6.668906756,-1.66118283,0.0755402148,0.0755402148,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:C-Cu-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_7e_3e_5e_25e:C-Cu-Li-O, expected Li5Cu3C7O25 to be Li2Cu2C2O7" +mp-760546,LiCu2(CO3)2,-6.8266181145,-1.5316363455,0.0653750991,0.0653750991,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:C-Cu-Li-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:C-Cu-Li-O +mp-753403,LiCu2(CO3)2,-6.8667309477,-1.5717491787,0.0252622659,0.0252622659,GGA,P-1,A2B2CD6_aP22_2_2i_2i_i_6i:C-Cu-Li-O,22.0,"Invalid WP multiplicities - A2B2CD6_aP22_2_3i_3i_i_11i:C-Cu-Li-O, expected LiCu3C3O11 to be LiCu2(CO3)2" +mp-1517270,NaLiTbWO6,-7.47235353,-2.4219458542,0.1927494842,0.1927494842,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Li-Na-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Li-Na-O-Tb-W +mp-1211005,LiTb(WO4)2,-8.66362955,-2.6608746236,0.0,-0.004017553,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Li-O-Tb-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Li-O-Tb-W +mp-1222289,LiTb(WO4)2,-8.5990230642,-2.5962681378,0.0646064858,0.0605889328,GGA+U,I-4,AB8CD2_tI24_82_a_2g_c_bd:Li-O-Tb-W,12.0,"Invalid WP multiplicities - AB8CD2_tI24_82_a_3g_c_bd:Li-O-Tb-W, expected LiTb(WO6)2 to be LiTb(WO4)2" +mp-1520430,Eu2CoWO6,-9.513601386,-2.4875429967,0.0700427367,0.0700427367,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Co-Eu-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Co-Eu-O-W +mp-558860,Ba2YFe3O8,-7.8674555729,-2.4897416933,0.0172626554,0.0172626554,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Fe-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Fe-O-Y, expected Ba2YFe5O16 to be Ba2YFe3O8" +mp-1229144,Ba10Y5(Fe5O12)3,-7.8464213464,-2.4425847294,0.0569167274,0.0569167274,GGA+U,P-1,A10B15C36D5_aP66_2_5i_c7i_ae17i_b2i:Ba-Fe-O-Y,66.0,"Invalid WP multiplicities - A10B15C36D5_aP66_2_10i_c13i_ae33i_b3i:Ba-Fe-O-Y, expected Ba20Y7Fe27O68 to be Ba10Y5(Fe5O12)3" +mp-542205,BaYFe2O5,-8.1146257389,-2.55252218,0.0456365454,0.0456365454,GGA+U,Pmma,AB2C5D_oP18_51_a_2f_2efj_c:Ba-Fe-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_oP18_51_a_3f_4e2f3j_c:Ba-Fe-O-Y, expected BaY(FeO4)3 to be BaYFe2O5" +mp-20946,BaYFe2O5,-8.1073244767,-2.5452209178,0.0529378076,0.0529378076,GGA+U,P4/mmm,AB2C5D_tP9_123_a_h_ci_b:Ba-Fe-O-Y,9.0,AB2C5D_tP9_123_a_h_ci_b:Ba-Fe-O-Y +mp-1194618,Ba4Y2Fe2O11,-7.6447288847,-2.8045993989,0.0064756035,0.0064756035,GGA+U,Pmc2_1,A4B2C11D2_oP38_26_2c_ab_3a4b2c_ab:Ba-Fe-O-Y,38.0,A4B2C11D2_oP38_26_2c_ab_3a4b2c_ab:Ba-Fe-O-Y +mp-1204162,Ba2YFeO5,-7.7661584822,-2.9319489534,0.0,-0.0101146847,GGA+U,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:Ba-Fe-O-Y,36.0,A2BC5D_mP36_14_2e_e_5e_e:Ba-Fe-O-Y +mp-1195207,BaYFeO4,-8.1516199384,-2.9170167801,0.0,-0.0076764026,GGA+U,Pnma,ABC4D_oP56_62_2c_2c_2c3d_2c:Ba-Fe-O-Y,56.0,ABC4D_oP56_62_2c_2c_2c3d_2c:Ba-Fe-O-Y +mp-1198058,Ba6Y2Fe4O15,-7.6467924091,-2.7383773211,0.0,-0.0170689242,GGA+U,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Fe-O-Y,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Fe-O-Y +mp-1105068,BaYFe4O7,-8.0929715477,-2.1781752498,0.0765978784,0.0765978784,GGA+U,I-4,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Y,13.0,AB4C7D_tI26_82_a_g_bfg_c:Ba-Fe-O-Y +mp-1048387,BaYFe4O7,-8.1164848962,-2.2016885983,0.0530845299,0.0530845299,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Fe-O-Y,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Fe-O-Y +mp-561516,BaYFe4O7,-7.9634796554,-2.0486833575,0.2060897707,0.2060897707,GGA+U,F-43m,AB4C7D_cF52_216_a_e_bg_c:Ba-Fe-O-Y,13.0,AB4C7D_cF52_216_a_e_bg_c:Ba-Fe-O-Y +mp-1233104,Ba2CaY2(Fe2O5)2,-7.8304899421,-2.4555707874,0.1984436311,0.1984436311,GGA+U,Pm,A2BC4D10E2_mP19_6_2a_a_4b_4a6b_2a:Ba-Ca-Fe-O-Y,19.0,A2BC4D10E2_mP19_6_2a_a_4b_4a6b_2a:Ba-Ca-Fe-O-Y +mp-1233917,Ba2CaY2(Fe2O5)2,-7.7400072126,-2.3650880579,0.2889263606,0.2889263606,GGA+U,Pmm2,A2BC4D10E2_oP19_25_e_a_2b2d_2ab2cd2f_e:Ba-Ca-Fe-O-Y,19.0,"Invalid WP multiplicities - A2BC4D10E2_oP19_25_e_a_2b2d_2ab2cd4f_e:Ba-Ca-Fe-O-Y, expected Ba2CaY2(Fe2O7)2 to be Ba2CaY2(Fe2O5)2" +mp-1183664,Ca6Si6H2O19,-7.6515744961,-3.2467852517,0.0050354001,0.0050354001,GGA,P-1,A6B2C19D6_aP33_2_ac2i_i_d9i_3i:Ca-H-O-Si,33.0,A6B2C19D6_aP33_2_ac2i_i_d9i_3i:Ca-H-O-Si +mp-696156,Ca3Si2(H3O5)2,-6.6510460562,-2.5229184808,0.006794939,0.006794939,GGA,Cc,A3B6C10D2_mC84_9_3a_6a_10a_2a:Ca-H-O-Si,42.0,A3B6C10D2_mC84_9_3a_6a_10a_2a:Ca-H-O-Si +mp-696853,CaZnSiH2O5,-6.4859394585,-2.4649837419,0.0033523616,0.0033523616,GGA,Cc,AB2C5DE_mC40_9_a_2a_5a_a_a:Ca-H-O-Si-Zn,20.0,AB2C5DE_mC40_9_a_2a_5a_a_a:Ca-H-O-Si-Zn +mp-1182799,CaSi(HO2)2,-6.0934437359,-1.8430531303,0.7932154492,0.7932154492,GGA,Fdd2,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si,32.0,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si +mp-1182800,CaSi(HO2)2,-6.1201956191,-1.8698050134,0.7664635660000001,0.7664635660000001,GGA,Fdd2,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si,32.0,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si +mp-1199682,CaSi(HO2)2,-6.8706712309,-2.6202806253,0.0159879542,0.0159879542,GGA,Fdd2,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si,32.0,AB2C4D_oF128_43_b_2b_2a3b_b:Ca-H-O-Si +mp-1202207,Ca3Si3(HO5)2,-7.4417768819,-3.0781606079,0.0095128246,0.0095128246,GGA,P-1,A3B2C10D3_aP36_2_3i_2i_10i_3i:Ca-H-O-Si,36.0,A3B2C10D3_aP36_2_3i_2i_10i_3i:Ca-H-O-Si +mp-697022,Ca6Si2H6O13,-6.7247036026,-2.7414612005,0.0063562095,0.0063562095,GGA,P-3,A6B6C13D2_hP54_147_2g_2g_d4g_2d:Ca-H-O-Si,54.0,"Invalid WP multiplicities - A6B6C13D2_hP54_147_7g_9g_2d22g_4d:Ca-H-O-Si, expected Ca21Si4H27O68 to be Ca6Si2H6O13" +mp-1215671,Zn4Si2H2O9,-6.1844617112,-2.2317992999,0.0103223796,0.0103223796,GGA,Cm,A2B9C2D4_mC34_8_2a_3a3b_b_2b:H-O-Si-Zn,17.0,"Invalid WP multiplicities - A2B9C2D4_mC34_8_2a_3a4b_b_3b:H-O-Si-Zn, expected Zn6Si2H2O11 to be Zn4Si2H2O9" +mp-1213903,CaZn2Si2HO7,-6.5627989442,-2.4554704686,0.196014655,0.196014655,GGA,Ama2,ABC7D2E2_oC52_40_b_b_b3c_c_2a:Ca-H-O-Si-Zn,26.0,ABC7D2E2_oC52_40_b_b_b3c_c_2a:Ca-H-O-Si-Zn +mp-1215731,Zn2SiH2O5,-6.0257293415,-2.0793592519,0.0187522788,0.0187522788,GGA,Cm,A2B5CD2_mC40_8_2b_4a3b_2a_2b:H-O-Si-Zn,,"Invalid WP multiplicities - A2B5CD2_mC40_8_2b_4a5b_2a_4b:H-O-Si-Zn, expected Zn4SiH2O7 to be Zn2SiH2O5" +mp-1203942,Zn2SiH2O5,-6.0207128188,-2.0743427291,0.0237688015,0.0237688015,GGA,Pnn2,A2B5CD2_oP40_34_2c_ab4c_c_2c:H-O-Si-Zn,40.0,A2B5CD2_oP40_34_2c_ab4c_c_2c:H-O-Si-Zn +mp-643814,Zn2SiH2O5,-6.026853776,-2.0804836864,0.0176278443,0.0176278443,GGA,Imm2,A2B5CD2_oI40_44_2c_abcde_d_e:H-O-Si-Zn,20.0,A2B5CD2_oI40_44_2c_abcde_d_e:H-O-Si-Zn +mp-707250,CaZn2(H5O4)2,-5.2435900331,-1.5280730217,0.0624992636,0.0624992636,GGA,P2_1/c,AB10C8D2_mP42_14_a_5e_4e_e:Ca-H-O-Zn,42.0,AB10C8D2_mP42_14_a_5e_4e_e:Ca-H-O-Zn +mp-1202252,CaZn2(H5O4)2,-5.301151754,-1.5856347426,0.0049375426,0.0049375426,GGA,P2_1/c,AB10C8D2_mP42_14_a_5e_4e_e:Ca-H-O-Zn,42.0,AB10C8D2_mP42_14_a_5e_4e_e:Ca-H-O-Zn +mp-1197100,Ca4Si3H2O11,-7.4009060443,-3.1260369681,0.0077452453,0.0077452453,GGA,Ama2,A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c:Ca-H-O-Si,80.0,A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c:Ca-H-O-Si +mp-1202472,Zn2SiHO5,-5.9908390022,-1.9829529076,0.1346064563,0.1346064563,GGA,Pnn2,AB5CD2_oP36_34_c_ab4c_c_2c:H-O-Si-Zn,36.0,AB5CD2_oP36_34_c_ab4c_c_2c:H-O-Si-Zn +mp-1106222,Zn2SiHO5,-5.9956252683,-1.9877391738,0.1298201902,0.1298201902,GGA,Imm2,AB5CD2_oI36_44_c_abcde_d_e:H-O-Si-Zn,18.0,AB5CD2_oI36_44_c_abcde_d_e:H-O-Si-Zn +mp-541431,Ca2SiH2O5,-6.9118130235,-2.8162716799,0.002495432,0.002495432,GGA,Pbca,A2B2C5D_oP80_61_2c_2c_5c_c:Ca-H-O-Si,80.0,A2B2C5D_oP80_61_2c_2c_5c_c:Ca-H-O-Si +mp-554539,Ca6Si3H2O13,-7.3339654094,-3.1922171299,0.0107282548,0.0107282548,GGA,P-1,A6B2C13D3_aP48_2_6i_2i_13i_3i:Ca-H-O-Si,48.0,"Invalid WP multiplicities - A6B2C13D3_aP48_2_11i_4i_25i_4i:Ca-H-O-Si, expected Ca11Si4H4O25 to be Ca6Si3H2O13" +mp-560780,Na4Ni3P4O15,-6.9360590187,-2.3789800991,0.0,-0.0038060796,GGA+U,Pna2_1,A4B3C15D4_oP104_33_4a_3a_15a_4a:Na-Ni-O-P,104.0,"Invalid WP multiplicities - A4B3C15D4_oP104_33_13a_11a_57a_14a:Na-Ni-O-P, expected Na13Ni11P14O57 to be Na4Ni3P4O15" +mp-541909,Zr2(NiP)3,-7.3827435287,-1.0482786762,0.0,-0.0211294415,GGA,Pnma,A3B3C2_oP32_62_3c_3c_2c:Ni-P-Zr,32.0,A3B3C2_oP32_62_3c_3c_2c:Ni-P-Zr +mp-1079999,Zr2NiP2,-8.024920674,-1.2844920833,0.0,-0.1170514087,GGA,P6_3/mmc,AB2C2_hP10_194_b_ac_f:Ni-P-Zr,10.0,AB2C2_hP10_194_b_ac_f:Ni-P-Zr +mp-761044,NaNi2P3O10,-7.2646451737,-2.3527955934,0.0059797065,0.0059797065,GGA+U,P2_1/m,AB2C10D3_mP32_11_a_f_4e3f_3e:Na-Ni-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mP32_11_a_f_7e6f_5e:Na-Ni-O-P, expected NaNi2P5O19 to be NaNi2P3O10" +mp-1094125,NaNi2P2O9,-6.7833643143,-1.9098213094,0.1279543657,0.1279543657,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Na-Ni-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Na-Ni-O-P, expected NaNi2P2O11 to be NaNi2P2O9" +mp-1078514,ZrNiP2,-7.2309239437,-0.9423133629,0.0052880176,0.0052880176,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Ni-P-Zr,8.0,AB2C_tP8_129_a_bc_c:Ni-P-Zr +mp-505598,Zr(Ni2P)2,-6.8764366579,-0.8057434631,0.0,-0.0303362411,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-Zr,14.0,A4B2C_tP14_136_i_f_a:Ni-P-Zr +mp-29153,Zr2NiP,-8.0646491262,-0.9924390146,0.0,-0.0281311924,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Ni-P-Zr,8.0,ABC2_mP8_11_e_e_2e:Ni-P-Zr +mp-18648,Zr2Ni12P7,-6.6597237443,-0.7382876030000001,0.0,-0.0119365572,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-Zr,21.0,"Invalid WP multiplicities - A12B7C2_hP21_174_4j4k_a2jk_cf:Ni-P-Zr, expected ZrNi12P5 to be Zr2Ni12P7" +mp-19470,Na4Ni7(PO4)6,-7.0425009717,-2.2388082389,0.0083545268,0.0083545268,GGA+U,Cm,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Na-Ni-O-P,41.0,"Invalid WP multiplicities - A4B7C24D6_mC82_8_2ab_a3b_4a11b_2a2b:Na-Ni-O-P, expected Na4Ni7(P3O13)2 to be Na4Ni7(PO4)6" +mp-776294,NaNiPO4,-6.8980412379,-2.2833670486,0.0263574782,0.0127374325,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Na-Ni-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Na-Ni-O-P +mp-776388,NaNiPO4,-6.9243987161,-2.3097245268,0.0,-0.0136200457,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Na-Ni-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Na-Ni-O-P +mp-761066,NaNiPO4,-6.8927029643,-2.278028775,0.0316957518,0.0180757061,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Na-Ni-O-P,14.0,ABC4D_oC28_63_c_a_fg_c:Na-Ni-O-P +mp-1215801,Zr4Ni(PO4)6,-8.5454742687,-3.0834376027,0.0,-0.0044172752,GGA+U,Pc,AB24C6D4_mP70_7_a_24a_6a_4a:Ni-O-P-Zr,70.0,AB24C6D4_mP70_7_a_24a_6a_4a:Ni-O-P-Zr +mp-1192849,NaNiPO11,-5.0494395879,-0.2687581376,0.8861041258000001,0.8861041258000001,GGA+U,P4_2/mmc,ABC11D_tP28_131_a_c_eipq_f:Na-Ni-O-P,28.0,ABC11D_tP28_131_a_c_eipq_f:Na-Ni-O-P +mp-18984,Na2ZrNi(P2O7)2,-7.6313771595,-2.7277526195,0.0271344931,0.0271344931,GGA+U,P1,A2BC14D4E_aP22_1_2a_a_14a_4a_a:Na-Ni-O-P-Zr,22.0,A2BC14D4E_aP22_1_2a_a_14a_4a_a:Na-Ni-O-P-Zr +mp-10259,Zr(NiP)2,-7.02737809,-0.8404622893,0.0923204205,0.0923204205,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-Zr,5.0,A2B2C_tI10_139_d_e_a:Ni-P-Zr +mp-505278,Zr9(NiP2)2,-8.3238276477,-0.9809750439,0.0,-0.0030088793,GGA,P4/mbm,A2B4C9_tP30_127_g_i_aghj:Ni-P-Zr,30.0,A2B4C9_tP30_127_g_i_aghj:Ni-P-Zr +mp-21204,ZrNiP,-7.1790471883,-0.5986672494,0.5009895153,0.5009895153,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ni-P-Zr,6.0,ABC_hP6_194_a_c_d:Ni-P-Zr +mp-1103567,Zr4NiP,-8.2165658592,-0.6525255747,0.0742032112,0.0742032112,GGA,P4/mcc,ABC4_tP12_124_a_c_m:Ni-P-Zr,12.0,ABC4_tP12_124_a_c_m:Ni-P-Zr +mp-1199950,Na2Ni(PO5)4,-5.8630563367,-1.0848277619,0.6879639512,0.6879639512,GGA+U,P2_1/c,A2BC20D4_mP54_14_e_a_10e_2e:Na-Ni-O-P,54.0,A2BC20D4_mP54_14_e_a_10e_2e:Na-Ni-O-P +mp-761052,Na2Ni3(P2O7)2,-7.1634687591,-2.342063863,0.0077167277,0.0077167277,GGA+U,P2_1/c,A2B3C14D4_mP46_14_e_ae_7e_2e:Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_14_e_2a2e_27e_3e:Na-Ni-O-P, expected NaNi3(PO9)3 to be Na2Ni3(P2O7)2" +mp-554790,Na4Ni5(P3O11)2,-7.0851838492,-2.3420013827,0.0,-0.008079363,GGA+U,P2_1/c,A4B5C22D6_mP74_14_2e_a2e_11e_3e:Na-Ni-O-P,74.0,"Invalid WP multiplicities - A4B5C22D6_mP74_14_4e_a5e_41e_9e:Na-Ni-O-P, expected Na8Ni11(P9O41)2 to be Na4Ni5(P3O11)2" +mp-2228150,MgZn2(WO4)2,-7.4347337869,-2.0801539854,0.1266115677,0.1266115677,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-W-Zn,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-W-Zn +mp-2218568,MgZn2(WO4)2,-7.3577611215,-2.00318132,0.2035842331,0.2035842331,GGA+U,P2,AB8C2D2_mP13_3_a_4e_bd_ac:Mg-O-W-Zn,13.0,AB8C2D2_mP13_3_a_4e_bd_ac:Mg-O-W-Zn +mp-2218604,MgZn2(WO4)2,-7.4279738685,-2.0733940669,0.1333714862,0.1333714862,GGA+U,P2,AB8C2D2_mP13_3_a_4e_ab_cd:Mg-O-W-Zn,13.0,AB8C2D2_mP13_3_a_4e_ad_bc:Mg-O-W-Zn +mp-2218543,MgZn2(WO4)2,-7.4621395877,-2.1075597862,0.0992057669,0.0992057669,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-W-Zn,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-W-Zn, expected MgZn2(WO8)2 to be MgZn2(WO4)2" +mp-2218736,MgZn2(WO4)2,-7.4269151846,-2.0723353831,0.13443017,0.13443017,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-W-Zn,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-W-Zn, expected MgZn2(WO8)2 to be MgZn2(WO4)2" +mp-1042815,Mg3Fe4(WO4)6,-8.4716975868,-2.1162858181,0.1175414823,0.1175414823,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mg-O-W,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_2i_ai_13i_5i:Fe-Mg-O-W, expected Mg3Fe4(W5O13)2 to be Mg3Fe4(WO4)6" +mp-1291802,Zn2FeWO6,-7.2121636745,-1.8493865818,0.0813544935,0.0813544935,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Fe-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_d_e:Fe-O-W-Zn +mp-1047414,Zn2FeWO6,-7.2347420975,-1.8719650048,0.0587760705,0.0587760705,GGA+U,R3,AB6CD2_hR30_146_a_2b_a_2a:Fe-O-W-Zn,20.0,AB6CD2_aP10_1_a_6a_a_2a:Fe-O-W-Zn +mp-1028020,Mg14ZnW,-2.1471943062,0.1416678525,0.1782995554,0.1782995554,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-W-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-W-Zn, expected Mg18ZnW to be Mg14ZnW" +mp-1028009,Mg14ZnW,-2.1570763675,0.1317857912,0.1684174941,0.1684174941,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-W-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-W-Zn, expected Mg26ZnW to be Mg14ZnW" +mp-1041160,Ti3ZnP3O13,-8.0801072247,-2.8054532034,0.1244003271,0.1244003271,GGA,P2_1/m,A13B3C3D_mP40_11_7e3f_3e_a2e_e:O-P-Ti-Zn,40.0,"Invalid WP multiplicities - A13B3C3D_mP40_11_12e11f_3e_2a3e_e:O-P-Ti-Zn, expected Ti5ZnP3O34 to be Ti3ZnP3O13" +mp-1337118,TiZnP2O7,-7.4531954532,-2.4887716697,0.2241615783,0.2241615783,GGA,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-Ti-Zn,22.0,A7B2CD_aP22_2_7i_2i_i_i:O-P-Ti-Zn +mp-1041683,TiZnP2O7,-7.4061052305,-2.4416814469,0.2712518011,0.2712518011,GGA,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-Ti-Zn,22.0,"Invalid WP multiplicities - A7B2CD_aP22_2_8i_2i_i_i:O-P-Ti-Zn, expected TiZn(PO4)2 to be TiZnP2O7" +mp-1044096,TiZnP2O7,-7.475506288,-2.5110825044,0.2018507436,0.2018507436,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Ti-Zn,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_23e_7e_e_e:O-P-Ti-Zn, expected TiZnP7O23 to be TiZnP2O7" +mp-1043703,TiSb(PO4)3,-7.8341153915,-2.6797233143,0.0,-0.0072132334,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Sb-Ti,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Sb-Ti, expected TiSb(PO18)3 to be TiSb(PO4)3" +mp-1046561,TiZnPO5,-7.5495122656,-2.6367645544,0.1295920988,0.1295920988,GGA,P-1,A5BCD_aP16_2_5i_i_ab_i:O-P-Ti-Zn,16.0,"Invalid WP multiplicities - A5BCD_aP16_2_9i_i_ab_i:O-P-Ti-Zn, expected TiZnPO9 to be TiZnPO5" +mp-5244,Ti2SbP,-7.28836861,-0.955046665,0.0,-0.0451525429,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:P-Sb-Ti,8.0,ABC2_hP8_194_a_c_f:P-Sb-Ti +mp-1044650,Ti2Zn(PO4)2,-7.6588009015,-2.4702745672,0.3484363848,0.3484363848,GGA,C2/c,A8B2C2D_mC104_15_8f_2f_cef_f:O-P-Ti-Zn,52.0,"Invalid WP multiplicities - A8B2C2D_mC104_15_30f_6f_2ce2f_f:O-P-Ti-Zn, expected Ti7Zn2(PO5)12 to be Ti2Zn(PO4)2" +mp-1043451,Ti2Zn(PO5)2,-7.9637830617,-2.8075017437,0.1314770203,0.1314770203,GGA,Fdd2,A10B2C2D_oF120_43_5b_b_b_a:O-P-Ti-Zn,30.0,"Invalid WP multiplicities - A10B2C2D_oF120_43_14b_b_b_a:O-P-Ti-Zn, expected Ti2Zn(PO14)2 to be Ti2Zn(PO5)2" +mp-1043719,Ti2Zn(PO4)3,-8.0048959622,-2.8576237568,0.0191460501,0.0191460501,GGA,R-3c,A12B3C2D_hR108_167_2f_e_c_b:O-P-Ti-Zn,36.0,"Invalid WP multiplicities - A12B3C2D_hR108_167_13f_e_c_b:O-P-Ti-Zn, expected Ti2Zn(PO26)3 to be Ti2Zn(PO4)3" +mp-1049239,Ti2ZnP2O9,-7.9207813105,-2.7495290921,0.1336110449,0.1336110449,GGA,Pnma,A9B2C2D_oP56_62_5c2d_2c_ac_c:O-P-Ti-Zn,56.0,"Invalid WP multiplicities - A9B2C2D_oP56_62_7c2d_2c_ac_c:O-P-Ti-Zn, expected Ti2ZnP2O11 to be Ti2ZnP2O9" +mp-1043880,TiZnSb(PO4)3,-7.4971961786,-2.5591734607000003,0.090290959,0.090290959,GGA,R3c,A12B3CDE_hR108_161_4b_b_a_a_a:O-P-Sb-Ti-Zn,36.0,"Invalid WP multiplicities - A12B3CDE_hR108_161_18b_b_a_a_a:O-P-Sb-Ti-Zn, expected TiZnSb(PO18)3 to be TiZnSb(PO4)3" +mp-1043579,ZnSb2(PO5)2,-6.769412211,-2.1153296633,0.1513662026,0.1513662026,GGA,Fdd2,A10B2C2D_oF120_43_5b_b_b_a:O-P-Sb-Zn,30.0,"Invalid WP multiplicities - A10B2C2D_oF120_43_14b_b_b_a:O-P-Sb-Zn, expected ZnSb2(PO14)2 to be ZnSb2(PO5)2" +mp-1047051,Ti3Zn(P2O7)2,-7.8571423809,-2.5910936698,0.2538971252,0.2538971252,GGA,P2_1/c,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-Ti-Zn,44.0,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-Ti-Zn +mp-1369271,TiZn2SbO6,-6.591193745,-2.1687824706,0.1540174596,0.1540174596,GGA,P2_1/m,A6BCD2_mP20_11_2e2f_a_d_2e:O-Sb-Ti-Zn,20.0,"Invalid WP multiplicities - A6BCD2_mP20_11_4e6f_a_c_2e:O-Sb-Ti-Zn, expected TiZn2SbO16 to be TiZn2SbO6" +mp-774803,TiSb3(PO4)6,-7.5301281074,-2.4865151707,0.020812324,0.020812324,GGA,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-Sb-Ti,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-Sb-Ti, expected TiSb3(PO10)6 to be TiSb3(PO4)6" +mp-1044935,ZnSb2P2O9,-6.8754869118,-2.2423048043,0.0476459802,0.0476459802,GGA,P2_12_12_1,A9B2C2D_oP56_19_9a_2a_2a_a:O-P-Sb-Zn,56.0,"Invalid WP multiplicities - A9B2C2D_oP56_19_11a_2a_2a_a:O-P-Sb-Zn, expected ZnSb2P2O11 to be ZnSb2P2O9" +mp-773711,Ti2Sb(PO4)3,-8.0436145458,-2.7369391387,0.1098003401,0.1098003401,GGA,R-3c,A12B3CD2_hR108_167_2f_e_b_c:O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_167_13f_e_b_c:O-P-Sb-Ti, expected Ti2Sb(PO26)3 to be Ti2Sb(PO4)3" +mp-774763,Ti3Sb2(PO4)6,-7.9413899151,-2.7086806969,0.0932702104,0.0932702104,GGA,R3,A24B6C2D3_hR105_146_8b_2b_2a_3a:O-P-Sb-Ti,35.0,"Invalid WP multiplicities - A24B6C2D3_hR105_146_22b_2b_2a_3a:O-P-Sb-Ti, expected Ti3Sb2(PO11)6 to be Ti3Sb2(PO4)6" +mp-1045690,Sr2YTlSn2O7,-6.5347310285,-2.3151875011,0.3460814703,0.3460814703,GGA,P4/mmm,A7B2C2DE_tP13_123_ahi_h_g_c_b:O-Sn-Sr-Tl-Y,13.0,A7B2C2DE_tP13_123_ahi_h_g_c_b:O-Sn-Sr-Tl-Y +mp-1046778,Sr2Y2Sn2O7,-7.2957738738,-2.7605512721,0.2676257287,0.2676257287,GGA,Ima2,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sn-Sr-Y,26.0,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sn-Sr-Y +mp-1048568,Sr2YSn2O7,-6.9685817429,-2.5942965172,0.2887448685,0.2887448685,GGA,Ima2,A7B2C2D_oI48_46_b3c_c_c_a:O-Sn-Sr-Y,24.0,A7B2C2D_oI48_46_b3c_c_c_a:O-Sn-Sr-Y +mp-1215152,CaCr(WO2)2,-8.2986503564,-1.1284425245,1.0897704523,1.0897704523,GGA+U,Pbcm,ABC4D2_oP64_57_2d_e_4e_2de:Ca-Cr-O-W,64.0,ABC4D2_oP64_57_2d_e_4e_2de:Ca-Cr-O-W +mp-1048921,CaLaCrWO6,-8.816012692,-2.8927209967,0.0532809283,0.0532809283,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-W,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-W +mp-1040819,LaCrWO6,-9.0807971817,-2.7222063958,0.0828078122,0.0828078122,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-W,18.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-W +mp-1445093,Ca2CrWO6,-8.399357212,-2.7691062392,0.0327423341,0.0327423341,GGA+U,P1,A2BC6D_aP10_1_2a_a_6a_a:Ca-Cr-O-W,10.0,A2BC6D_aP10_1_2a_a_6a_a:Ca-Cr-O-W +mp-1272359,Ca2CrWO6,-8.4004632805,-2.7702123077,0.0316362656,0.0316362656,GGA+U,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ca-Cr-O-W,20.0,A2BC6D_aP10_2_i_b_3i_c:Ca-Cr-O-W +mp-1282800,Ca2CrWO6,-8.4186986725,-2.7884476997,0.0134008736,0.0134008736,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Cr-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Cr-O-W +mp-1385999,CaLa2WO6,-8.598275326,-3.1466876672,0.1758747828,0.1758747828,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-W,10.0,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-W +mp-1520426,KCeNdMnO6,-7.84938527,-2.7840069606,0.1982120064,0.1982120064,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Ce-K-Mn-Nd-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Ce-K-Mn-Nd-O +mp-1516684,KNdMn4O12,-7.2979801833,-1.637598401,0.3202174288,0.3202174288,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:K-Mn-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:K-Mn-Nd-O, expected KNdMn4O18 to be KNdMn4O12" +mp-1076207,Ca7MgTiMn7O20,-7.8498093423,-2.666396773,0.0867469612,0.0867469612,GGA+U,P1,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Mg-Mn-O-Ti,144.0,A7BC7D20E_aP144_1_28a_4a_28a_80a_4a:Ca-Mg-Mn-O-Ti +mp-1076543,Ca7MgTiMn7O24,-7.6522315333,-2.4924913497,0.1589711405,0.1589711405,GGA+U,R3m,A7BC7D24E_hR120_160_a2b_a_a2b_4b2c_a:Ca-Mg-Mn-O-Ti,40.0,"Invalid WP multiplicities - A7BC7D24E_hR120_160_a6b_a_a4b_12b9c_a:Ca-Mg-Mn-O-Ti, expected Ca19MgTiMn13O90 to be Ca7MgTiMn7O24" +mp-1210363,Nd6Al43V4,-4.5703745543,-0.3061430531,0.0,-0.0188238983,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-V +mp-1520875,NaNdV4O12,-8.0964968656,-2.4416878911,0.1791771633,0.1791771633,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Na-Nd-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Na-Nd-O-V, expected NaNdV4O16 to be NaNdV4O12" +mp-706588,Na3NdV2O8,-7.4077224025,-2.6593620352,0.0135155139,0.0135155139,GGA+U,Cc,A3BC8D2_mC168_9_9a_3a_24a_6a:Na-Nd-O-V,84.0,"Invalid WP multiplicities - A3BC8D2_mC168_9_16a_6a_48a_11a:Na-Nd-O-V, expected Na16Nd6V11O48 to be Na3NdV2O8" +mp-1177363,Li4Mn3Sn3(SbO8)2,-6.9004746989,-2.0949220286,0.0332845854,0.0332845854,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Sb-Sn,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Mn-O-Sb-Sn, expected Li4Mn3Sn3(SbO10)2 to be Li4Mn3Sn3(SbO8)2" +mp-774787,Li4Mn3Sn2Sb3O16,-6.8571718421,-2.0473538367,0.0600759444,0.0600759444,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Sb-Sn,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-Sb-Sn, expected Li4Mn3Sn2Sb3O20 to be Li4Mn3Sn2Sb3O16" +mp-1215029,Ba2GdV3O11,-8.8555971729,-2.9979873992,0.0150421666,0.0150421666,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Gd-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Gd-O-V +mp-1215052,Ba2EuV3O11,-8.5138517297,-2.8808960995,0.0100175884,0.0100175884,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Eu-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Eu-O-V +mp-1521286,BaEuV4O12,-8.5064570517,-2.5135756319,0.1910361249,0.1910361249,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Eu-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Eu-O-V, expected BaEuV4O16 to be BaEuV4O12" +mp-1519613,Ba2EuVO6,-8.22485422,-2.9389552183000003,0.1059807227,0.1059807227,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Eu-O-V +mp-552604,YBi2ClO4,-6.93997074,-2.4671281302,0.0,-0.0567672556,GGA,P4/mmm,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Y,8.0,A2BC4D_tP8_123_h_a_i_b:Bi-Cl-O-Y +mp-1207618,YSeClO3,-6.91664019,-2.4748092925,0.0,-0.081975522,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Y,24.0,AB3CD_oP24_62_c_cd_c_c:Cl-O-Se-Y +mp-962058,YSeCl,-5.5384853633,-1.6015122797,0.8288039533,0.8288039533,GGA,F-43m,ABC_cF12_216_a_c_b:Cl-Se-Y,3.0,ABC_cF12_216_a_c_b:Cl-Se-Y +mp-1204472,Y3Se2ClO8,-7.647502248,-2.8036963448,0.0,-0.0771071781,GGA,Pnma,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Se-Y,56.0,AB8C2D3_oP56_62_c_4d_d_cd:Cl-O-Se-Y +mp-1048246,YBi3Se2ClO8,-6.0578990493,-1.6311118621,0.31476943,0.31476943,GGA,Pmmn,A3BC8D2E_oP30_59_ac_b_2eg_e_a:Bi-Cl-O-Se-Y,30.0,"Invalid WP multiplicities - A3BC8D2E_oP30_59_a2c_b_5e3g_e_a:Bi-Cl-O-Se-Y, expected YBi5Se2ClO22 to be YBi3Se2ClO8" +mp-561011,Li2Ta2(OF2)3,-7.6190862585,-3.4773677252,0.0,-0.0508707485,GGA,P3_121,A6B2C3D2_hP39_152_3c_c_ac_c:F-Li-O-Ta,39.0,"Invalid WP multiplicities - A6B2C3D2_hP39_152_12c_c_2a2c_c:F-Li-O-Ta, expected LiTa(OF4)3 to be Li2Ta2(OF2)3" +mp-756810,Sr3Ta4(O6F)2,-9.0895934181,-3.5808880205,0.0158729819,0.0158729819,GGA,R-3m,A2B12C3D4_hR63_166_c_2h_e_ad:F-O-Sr-Ta,21.0,"Invalid WP multiplicities - A2B12C3D4_hR63_166_c_8h_e_a2d:F-O-Sr-Ta, expected Sr3Ta7(O24F)2 to be Sr3Ta4(O6F)2" +mp-39387,SrLiTa2O6F,-8.7670954668,-3.4120424836,0.0196886114,0.0196886114,GGA,Imma,ABC6DE2_oI44_74_e_a_2ej_c_bd:F-Li-O-Sr-Ta,22.0,"Invalid WP multiplicities - ABC6DE2_oI44_74_e_a_4e3j_c_2b2d:F-Li-O-Sr-Ta, expected SrLiTa4O16F to be SrLiTa2O6F" +mp-756170,Sr3LiTa4(O6F)2,-8.7919614427,-3.4468825238000003,0.0379564321,0.0379564321,GGA,R-3m,A2BC12D3E4_hR66_166_c_a_2h_d_be:F-Li-O-Sr-Ta,22.0,"Invalid WP multiplicities - A2BC12D3E4_hR66_166_c_a_8h_d_b2e:F-Li-O-Sr-Ta, expected Sr3LiTa7(O24F)2 to be Sr3LiTa4(O6F)2" +mp-555119,SrTaF7,-6.8491267089,-3.8571685027,0.0,-0.06383098,GGA,P2_1/m,A7BC_mP18_11_3e2f_e_e:F-Sr-Ta,18.0,"Invalid WP multiplicities - A7BC_mP18_11_6e6f_e_e:F-Sr-Ta, expected SrTaF18 to be SrTaF7" +mp-6853,Ca3TaGa3(SiO7)2,-7.7377313713,-3.082812095,0.0,-0.0010977338,GGA,P321,A3B3C14D2E_hP23_150_e_f_d2g_d_a:Ca-Ga-O-Si-Ta,23.0,"Invalid WP multiplicities - A3B3C14D2E_hP23_150_e_f_d3g_d_a:Ca-Ga-O-Si-Ta, expected Ca3TaGa3(SiO10)2 to be Ca3TaGa3(SiO7)2" +mp-1211848,KLiMoO5,-6.5365059905,-1.7117040555,0.2613008244,0.2613008244,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:K-Li-Mo-O,64.0,ABCD5_oP64_61_c_c_c_5c:K-Li-Mo-O +mp-1211965,KLiMoO4,-7.0618791721,-2.2544896338,0.0003730861,-0.0121158357,GGA+U,P2_1/c,ABCD4_mP84_14_3e_3e_3e_12e:K-Li-Mo-O,84.0,ABCD4_mP84_14_3e_3e_3e_12e:K-Li-Mo-O +mp-1199453,KLiMoO4,-7.0622522582,-2.2548627198,0.0,-0.0124889218,GGA+U,P6_3,ABCD4_hP168_173_a2b3c_4c_4c_16c:K-Li-Mo-O,168.0,ABCD4_hP168_173_a2b3c_4c_4c_16c:K-Li-Mo-O +mp-1211339,KLiMoO4,-6.95470921,-2.1473196716,0.1075430482,0.0950541264,GGA+U,P6_3mc,ABCD4_hP14_186_a_b_b_bc:K-Li-Mo-O,14.0,ABCD4_hP14_186_a_b_b_bc:K-Li-Mo-O +mp-1211396,KNd(MoO4)2,-8.1090001213,-2.5137204305000003,0.0,-0.0170452504,GGA+U,C2/c,AB2CD8_mC48_15_e_f_e_4f:K-Mo-Nd-O,24.0,AB2CD8_mC48_15_e_f_e_4f:K-Mo-Nd-O +mp-581225,KLiNd2(MoO4)4,-8.1475160583,-2.5189645376,0.0,-0.0046025169,GGA+U,C2/c,ABC4D2E16_mC96_15_e_e_2f_f_8f:K-Li-Mo-Nd-O,48.0,"Invalid WP multiplicities - ABC4D2E16_mC96_15_e_e_5f_f_29f:K-Li-Mo-Nd-O, expected KLiNd2(Mo5O29)2 to be KLiNd2(MoO4)4" +mp-1095921,LiZn2Ag,-0.9890361625,0.82620536,1.0086046831,1.0086046831,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Li-Zn,4.0,ABC2_oI8_71_a_b_e:Ag-Li-Zn +mp-1185422,LiZn2Ag,-1.9922218125,-0.17698029,0.0054190331,0.0054190331,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Li-Zn,4.0,ABC2_cF16_225_a_b_c:Ag-Li-Zn +mp-1210825,Li2Zn2W2O9,-7.2411964323,-2.1229436447,0.0373951157,0.0373951157,GGA+U,P-3c1,A2B9C2D2_hP30_165_d_fg_c_d:Li-O-W-Zn,30.0,A2B9C2D2_hP30_165_d_fg_c_d:Li-O-W-Zn +mp-1093889,Li2ZnAg,-1.1283340975,0.8492022392,1.0694269775,1.0694269775,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Li-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Li-Zn +mp-861625,LiZnAg2,-2.402207895,-0.1937632742,0.0,-0.031291465,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Li-Zn,4.0,A2BC_cF16_225_c_a_b:Ag-Li-Zn +mp-1042188,Zn2AgWO6,-6.400886949,-1.6018563769,0.0806361631,0.0806361631,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Ag-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Ag-O-W-Zn +mp-2216574,Zn2AgWO6,-6.40907056,-1.6100399879,0.0724525521,0.0724525521,GGA+U,C2/m,AB6CD2_mC20_12_a_ij_d_i:Ag-O-W-Zn,10.0,"Invalid WP multiplicities - AB6CD2_mC20_12_a_i2j_c_i:Ag-O-W-Zn, expected Zn2AgWO10 to be Zn2AgWO6" +mp-1378705,Zn2AgWO6,-6.3836696325,-1.5846390604,0.0978534796,0.0978534796,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ag-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_d_e:Ag-O-W-Zn +mp-1235150,LiZn2AgWO6,-6.2485608927,-1.7122673848,0.1304671453,0.1304671453,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Li-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Li-O-W-Zn +mp-1235459,LiZn2AgWO6,-6.2945532409,-1.758259733,0.0844747971,0.0844747971,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Li-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Li-O-W-Zn +mp-1235680,LiZn2AgWO6,-6.2733097545,-1.7370162466,0.1057182835,0.1057182835,GGA+U,P-1,ABC6DE2_aP11_2_b_a_3i_d_i:Ag-Li-O-W-Zn,11.0,"Invalid WP multiplicities - ABC6DE2_aP11_2_b_a_4i_d_i:Ag-Li-O-W-Zn, expected LiZn2AgWO8 to be LiZn2AgWO6" +mp-825375,V2Pb14Cl4O17,-6.1065575559,-1.7381055059,0.0,-0.0112942465,GGA+U,C2/c,A4B17C14D2_mC148_15_2f_3e7f_7f_f:Cl-O-Pb-V,74.0,A4B17C14D2_mC148_15_2f_3e7f_7f_f:Cl-O-Pb-V +mp-642157,V2Cu3Pb(ClO4)2,-6.4073503794,-1.56680899,0.08888694,0.08888694,GGA+U,Ibam,A2B3C8DE2_oI64_72_j_cj_2k_b_f:Cl-Cu-O-Pb-V,32.0,"Invalid WP multiplicities - A2B3C8DE2_oI64_72_j_2c2j_12k_b_f:Cl-Cu-O-Pb-V, expected V2Cu6Pb(ClO24)2 to be V2Cu3Pb(ClO4)2" +mp-972470,V2Cu3Pb(ClO4)2,-6.4784336587,-1.6378922694,0.0178036606,0.0178036606,GGA+U,Ibam,A2B3C8DE2_oI64_72_j_cj_2k_b_f:Cl-Cu-O-Pb-V,32.0,A2B3C8DE2_oI64_72_j_cj_2k_b_f:Cl-Cu-O-Pb-V +mp-554803,VPbClO3,-6.9642981762,-2.0501055206,0.0,-5.82446e-05,GGA+U,Pnma,AB3CD_oP24_62_c_cd_c_c:Cl-O-Pb-V,24.0,"Invalid WP multiplicities - AB3CD_oP24_62_c_3c3d_c_c:Cl-O-Pb-V, expected VPbClO9 to be VPbClO3" +mp-628782,V3Pb5ClO12,-7.1583530638,-2.0619837898,0.0,-0.0305963177,GGA+U,P6_3/m,AB12C5D3_hP42_176_b_2hi_fh_h:Cl-O-Pb-V,42.0,"Invalid WP multiplicities - AB12C5D3_hP42_176_b_10h8i_3f3h_h:Cl-O-Pb-V, expected V3Pb15ClO78 to be V3Pb5ClO12" +mp-1196185,V4Cu9(ClO9)2,-6.5374876906,-1.5082163442,0.0112009682,0.0112009682,GGA+U,P-1,A2B9C18D4_aP33_2_i_abd3i_9i_2i:Cl-Cu-O-V,33.0,A2B9C18D4_aP33_2_i_abd3i_9i_2i:Cl-Cu-O-V +mp-1212540,GdTl(WO4)2,-9.3167694971,-2.4893915357,0.0,-0.039297219,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Gd-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Gd-O-Tl-W +mp-865316,Gd2MgTl,-8.303779665,-0.2749877458,0.0,-0.0043153606,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Gd-Mg-Tl +mp-2229994,Gd6MgWO12,-11.3710772195,-3.4523068068,0.1188511474,0.1188511474,GGA+U,R3,A6BC12D_hR60_146_2b_a_4b_a:Gd-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_146_4b_a_12b_a:Gd-Mg-O-W, expected Gd12MgWO36 to be Gd6MgWO12" +mp-2230099,Gd6MgWO12,-11.4074619645,-3.4886915518,0.0824664024,0.0824664024,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:Gd-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_148_f_a_7f_b:Gd-Mg-O-W, expected Gd6MgWO42 to be Gd6MgWO12" +mp-2230194,MgTl6WO12,-5.84351182,-1.4387851353,0.0874492456,0.0874492456,GGA+U,P1,AB12C6D_aP20_1_a_12a_6a_a:Mg-O-Tl-W,20.0,AB12C6D_aP20_1_a_12a_6a_a:Mg-O-Tl-W +mp-2230013,MgTl6WO12,-5.846856992,-1.4421303073,0.0841040736,0.0841040736,GGA+U,R3,AB12C6D_hR60_146_a_4b_2b_a:Mg-O-Tl-W,20.0,"Invalid WP multiplicities - AB12C6D_hR60_146_a_12b_4b_a:Mg-O-Tl-W, expected MgTl12WO36 to be MgTl6WO12" +mp-2230104,MgTl6WO12,-5.8573855155,-1.4526588308,0.0735755501,0.0735755501,GGA+U,R-3,AB12C6D_hR60_148_a_2f_f_b:Mg-O-Tl-W,20.0,"Invalid WP multiplicities - AB12C6D_hR60_148_a_7f_f_b:Mg-O-Tl-W, expected MgTl6WO42 to be MgTl6WO12" +mp-2232613,MgTl4(WO4)2,-6.6617960827000005,-1.5590878969,0.2624446262,0.2624446262,GGA+U,C2,AB8C4D2_mC30_5_a_4c_abc_c:Mg-O-Tl-W,15.0,"Invalid WP multiplicities - AB8C4D2_mC30_5_a_6c_abc_c:Mg-O-Tl-W, expected MgTl4(WO6)2 to be MgTl4(WO4)2" +mp-2232391,MgTl4(WO4)2,-6.6109522867,-1.5082441009,0.3132884222,0.3132884222,GGA+U,C2/m,AB8C4D2_mC30_12_b_2ij_aci_i:Mg-O-Tl-W,15.0,"Invalid WP multiplicities - AB8C4D2_mC30_12_a_3ij_bci_i:Mg-O-Tl-W, expected MgTl4(WO5)2 to be MgTl4(WO4)2" +mp-2232187,MgTl4(WO4)2,-6.6793785233000005,-1.5766703376,0.2448621856,0.2448621856,GGA+U,P3m1,AB8C4D2_hP15_156_c_ab2d_ab2c_ab:Mg-O-Tl-W,15.0,AB8C4D2_hP15_156_c_ab2d_ab2c_ab:Mg-O-Tl-W +mp-1233756,Gd2MgTl2(WO4)4,-9.0636265692,-2.4453325243,0.0750890793,0.0750890793,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Gd-Mg-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Gd-Mg-O-Tl-W +mp-1234918,Gd2MgTl2(WO4)4,-9.0550047052,-2.4367106603,0.0837109433,0.0837109433,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Gd-Mg-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Gd-Mg-O-Tl-W +mp-1206951,GdMgTl,-6.3540681267,-0.3410529811,0.0,-0.0788374659,GGA,P-62m,ABC_hP9_189_f_g_ad:Gd-Mg-Tl,9.0,ABC_hP9_189_f_g_ad:Gd-Mg-Tl +mp-1036519,BaMg14AlO16,-6.1606394225,-2.8101553334,0.2398799826,0.2398799826,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Ba-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Ba-Mg-O, expected BaMg18AlO20 to be BaMg14AlO16" +mp-1036515,BaMg14AlO16,-6.1451937447,-2.7947096556,0.2553256605,0.2553256605,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Ba-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Ba-Mg-O, expected BaMg30AlO32 to be BaMg14AlO16" +mp-1233567,Ba2MgAl2(Fe4O7)2,-7.5451005422,-1.9916489412,0.2256981338,0.2256981338,GGA+U,P1,A2B2C8DE14_aP27_1_2a_2a_8a_a_14a:Al-Ba-Fe-Mg-O,27.0,A2B2C8DE14_aP27_1_2a_2a_8a_a_14a:Al-Ba-Fe-Mg-O +mp-1234545,Ba2MgAl2(Fe4O7)2,-7.5575752126,-2.0041236116,0.2132234634,0.2132234634,GGA+U,P1,A2B2C8DE14_aP27_1_2a_2a_8a_a_14a:Al-Ba-Fe-Mg-O,27.0,A2B2C8DE14_aP27_1_2a_2a_8a_a_14a:Al-Ba-Fe-Mg-O +mp-1038200,BaMg30AlO32,-6.2496571695,-2.9376729347,0.114364873,0.114364873,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Ba-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Ba-Mg-O, expected BaMg110AlO72 to be BaMg30AlO32" +mp-1037958,BaMg30AlO32,-6.2571820681,-2.9451978333,0.1068399744,0.1068399744,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Ba-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Ba-Mg-O, expected BaMg90AlO80 to be BaMg30AlO32" +mp-1033061,BaMg6AlO8,-5.9259418675,-2.49845807,0.5475722628,0.5475722628,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Ba-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Ba-Mg-O, expected BaMg6AlO12 to be BaMg6AlO8" +mp-1033059,BaMg6AlO8,-5.9914818,-2.5639980025,0.4820323303,0.4820323303,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Ba-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Ba-Mg-O, expected BaMg6AlO12 to be BaMg6AlO8" +mp-1211857,K4Mg(MoO4)3,-7.1864001043,-2.2894455691,0.0,-0.0058158481,GGA+U,P-1,A4BC3D12_aP40_2_ad3i_i_3i_12i:K-Mg-Mo-O,40.0,A4BC3D12_aP40_2_ad3i_i_3i_12i:K-Mg-Mo-O +mp-1212049,K2Mg2(MoO4)3,-7.4859860763,-2.3639559258,0.0,-0.0164183447,GGA+U,P2_1/c,A2B2C3D12_mP76_14_2e_2e_3e_12e:K-Mg-Mo-O,76.0,A2B2C3D12_mP76_14_2e_2e_3e_12e:K-Mg-Mo-O +mp-1202098,K2Mg2(MoO4)3,-7.4735202931,-2.3514901426,0.0124657832,-0.0039525614,GGA+U,P2_12_12_1,A2B2C3D12_oP228_19_6a_6a_9a_36a:K-Mg-Mo-O,228.0,A2B2C3D12_oP228_19_6a_6a_9a_36a:K-Mg-Mo-O +mp-1212309,K2Mg2(MoO4)3,-7.4603122655,-2.3382821151,0.0256738108,0.0092554661,GGA+U,P2_13,A2B2C3D12_cP76_198_2a_2a_b_4b:K-Mg-Mo-O,76.0,A2B2C3D12_cP76_198_2a_2a_b_4b:K-Mg-Mo-O +mp-1026846,KMg14Mo,-1.9121025562,0.2353955536,0.2498719009,0.2498719009,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Mo, expected KMg18Mo to be KMg14Mo" +mp-1026825,KMg14Mo,-1.9285027338,0.2189953761,0.2334717234,0.2334717234,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Mo,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Mo, expected KMg26Mo to be KMg14Mo" +mp-2227364,KMgMoO3,-6.23809429,-1.5053617499,0.8023746346,0.8023746346,GGA+U,P4/mmm,ABCD3_tP6_123_a_b_d_ce:K-Mg-Mo-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_a_b_d_c2e:K-Mg-Mo-O, expected KMgMoO5 to be KMgMoO3" +mp-2210641,KMgMoO3,-6.485341495,-1.7526089549,0.5551274296,0.5551274296,GGA+U,R3m,ABCD3_hR18_160_a_a_a_b:K-Mg-Mo-O,6.0,ABCD3_hR18_160_a_a_a_b:K-Mg-Mo-O +mp-2232235,K4Mg(MoO4)2,-6.59009943,-2.1029870468,0.1253973497,0.1253973497,GGA+U,P1,A4BC2D8_aP15_1_4a_a_2a_8a:K-Mg-Mo-O,15.0,A4BC2D8_aP15_1_4a_a_2a_8a:K-Mg-Mo-O +mp-2232548,K4Mg(MoO4)2,-6.5283741213,-2.0412617381,0.1871226584,0.1871226584,GGA+U,Cm,A4BC2D8_mC30_8_4a_a_2a_4a2b:K-Mg-Mo-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_8_4a_a_2a_4a3b:K-Mg-Mo-O, expected K4Mg(MoO5)2 to be K4Mg(MoO4)2" +mp-1021393,KMg6Mo,-2.3576789838,0.3370371859,0.3494454836,0.3494454836,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:K-Mg-Mo,8.0,AB6C_tP8_123_a_fk_c:K-Mg-Mo +mp-1021424,KMg6Mo,-2.3254170413,0.3692991284,0.3817074261,0.3817074261,GGA,P-6m2,AB6C_hP8_187_a_jk_d:K-Mg-Mo,8.0,AB6C_hP8_187_a_jk_d:K-Mg-Mo +mp-672176,K3Sc(MoO4)3,-7.7543851699,-2.4090756535,0.0026281901,-0.0053063575,GGA+U,Pca2_1,A3B3C12D_oP76_29_3a_3a_12a_a:K-Mo-O-Sc,76.0,"Invalid WP multiplicities - A3B3C12D_oP76_29_10a_10a_46a_a:K-Mo-O-Sc, expected K10Sc(Mo5O23)2 to be K3Sc(MoO4)3" +mp-555776,K3Sc(MoO4)3,-7.75701336,-2.4117038436,0.0,-0.0079345476,GGA+U,Pbcm,A3B3C12D_oP76_57_c2d_de_2d5e_c:K-Mo-O-Sc,76.0,"Invalid WP multiplicities - A3B3C12D_oP76_57_4c7d_4d3e_6d32e_c:K-Mo-O-Sc, expected K11Sc(MoO7)10 to be K3Sc(MoO4)3" +mp-18837,KSc(MoO4)2,-8.2418849308,-2.5162451007,0.0,-0.0071849878,GGA+U,P-3m1,AB2C8D_hP12_164_a_d_di_b:K-Mo-O-Sc,12.0,"Invalid WP multiplicities - AB2C8D_hP12_164_a_d_d2i_b:K-Mo-O-Sc, expected KSc(MoO7)2 to be KSc(MoO4)2" +mp-555868,K10MgMo7O27,-7.1614746321,-2.2240431767,0.0056716604,0.0056716604,GGA+U,Pmn2_1,A10BC7D27_oP90_31_2a4b_a_3a2b_5a11b:K-Mg-Mo-O,90.0,"Invalid WP multiplicities - A10BC7D27_oP90_31_4a14b_a_6a8b_10a41b:K-Mg-Mo-O, expected K32Mg(Mo11O46)2 to be K10MgMo7O27" +mp-2218368,KMgSc(MoO4)2,-7.6502220923,-2.2419176298,0.3859543822,0.3859543822,GGA+U,P3m1,ABC2D8E_hP13_156_a_a_bc_bc2d_a:K-Mg-Mo-O-Sc,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_a_a_bc_bc3d_a:K-Mg-Mo-O-Sc, expected KMgScMo2O11 to be KMgSc(MoO4)2" +mp-2218308,KMgSc(MoO4)2,-7.6590629185,-2.250758456,0.377113556,0.377113556,GGA+U,P3m1,ABC2D8E_hP13_156_b_a_ac_ac2d_b:K-Mg-Mo-O-Sc,13.0,"Invalid WP multiplicities - ABC2D8E_hP13_156_b_a_ac_ac3d_b:K-Mg-Mo-O-Sc, expected KMgScMo2O11 to be KMgSc(MoO4)2" +mp-1197457,RbBaSc(SiO3)3,-8.0134747252,-3.3449326846,0.0,-0.0175496914,GGA,P2_1/c,AB9CDE3_mP60_14_e_9e_e_e_3e:Ba-O-Rb-Sc-Si,60.0,AB9CDE3_mP60_14_e_9e_e_e_3e:Ba-O-Rb-Sc-Si +mp-1204821,Tl2ZnH12(SeO7)2,-5.2619502502,-1.2960403354,0.0,-0.0040873081,GGA,P2_1/c,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-Se-Tl-Zn,62.0,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-Se-Tl-Zn +mp-766515,ZnH6(SeO4)2,-5.3264456626,-1.3157731612,0.0093958526,0.0093958526,GGA,P2_1/c,A6B8C2D_mP34_14_3e_4e_e_a:H-O-Se-Zn,34.0,"Invalid WP multiplicities - A6B8C2D_mP34_14_9e_13e_e_a:H-O-Se-Zn, expected ZnH18(SeO13)2 to be ZnH6(SeO4)2" +mp-605344,ZnH4SeO6,-5.3171440754,-1.3165864475,0.0175921931,0.0175921931,GGA,Pbca,A4B6CD_oP96_61_4c_6c_c_c:H-O-Se-Zn,96.0,"Invalid WP multiplicities - A4B6CD_oP96_61_24c_43c_c_c:H-O-Se-Zn, expected ZnH24SeO43 to be ZnH4SeO6" +mp-24591,ZnH2SeO4,-5.3157598125,-1.3997770597,0.0204888664,0.0204888664,GGA,P2_1/c,A2B4CD_mP32_14_2e_4e_e_e:H-O-Se-Zn,32.0,A2B4CD_mP32_14_2e_4e_e_e:H-O-Se-Zn +mp-24500,ZnH12SeO10,-5.2549252213,-1.2992896071,0.0088267234,0.0088267234,GGA,P4_12_12,A12B10CD_tP96_92_6b_5b_a_a:H-O-Se-Zn,96.0,"Invalid WP multiplicities - A12B10CD_tP96_92_8b_7b_a_a:H-O-Se-Zn, expected ZnH16SeO14 to be ZnH12SeO10" +mp-23969,ZnH2SeO5,-5.3820591511,-1.351553514,0.0,-0.0193346092,GGA,C2/c,A2B5CD_mC36_15_f_e2f_e_c:H-O-Se-Zn,18.0,A2B5CD_mC36_15_f_e2f_e_a:H-O-Se-Zn +mp-985595,Zn6HO6,-4.7046268312,-1.5791406794,0.0850931532,0.0850931532,GGA,Pm,AB6C6_mP52_6_abc_6a6b6c_6a6b6c:H-O-Zn,52.0,AB6C6_mP52_6_abc_6a6b6c_6a6b6c:H-O-Zn +mp-24547,ZnH2(SeO4)2,-5.431070875,-1.2302610023,0.0,-0.0089130673,GGA,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:H-O-Se-Zn,26.0,"Invalid WP multiplicities - A2B8C2D_mP26_14_e_5e_e_a:H-O-Se-Zn, expected ZnH2(SeO5)2 to be ZnH2(SeO4)2" +mp-625230,Zn(HO)2,-5.034832253,-1.4471176285,0.0407572635,0.0387288875,GGA,P1,A2B2C_aP30_1_12a_12a_6a:H-O-Zn,30.0,A2B2C_aP30_1_12a_12a_6a:H-O-Zn +mp-625272,Zn(HO)2,-5.0395819007,-1.4518672762,0.0360076158,0.0339792398,GGA,P1,A2B2C_aP30_1_12a_12a_6a:H-O-Zn,30.0,A2B2C_aP30_1_12a_12a_6a:H-O-Zn +mp-625857,Zn(HO)2,-5.0741252025,-1.486410578,0.001464314,-0.000564062,GGA,P2_1,A2B2C_mP20_4_4a_4a_2a:H-O-Zn,20.0,A2B2C_oP20_19_2a_2a_a:H-O-Zn +mp-625488,Zn(HO)2,-4.975591048,-1.3878764235,0.0999984685,0.0979700925,GGA,C2,A2B2C_mC10_5_c_c_a:H-O-Zn,5.0,A2B2C_mC10_5_c_c_a:H-O-Zn +mp-625826,Zn(HO)2,-4.9954696645,-1.40775504,0.080119852,0.078091476,GGA,P2_12_12_1,A2B2C_oP20_19_2a_2a_a:H-O-Zn,20.0,A2B2C_oP20_19_2a_2a_a:H-O-Zn +mp-625830,Zn(HO)2,-5.0755895165,-1.487874892,0.0,-0.002028376,GGA,P2_12_12_1,A2B2C_oP20_19_2a_2a_a:H-O-Zn,20.0,A2B2C_oP20_19_2a_2a_a:H-O-Zn +mp-697146,Zn(HO)2,-5.062659716,-1.4749450915,0.0129298005,0.0109014245,GGA,P2_12_12_1,A2B2C_oP20_19_2a_2a_a:H-O-Zn,20.0,A2B2C_oP20_19_2a_2a_a:H-O-Zn +mp-625487,Zn(HO)2,-4.991871368,-1.4041567435,0.0837181485,0.0816897725,GGA,P-3m1,A2B2C_hP5_164_d_d_a:H-O-Zn,5.0,A2B2C_hP5_164_d_d_a:H-O-Zn +mp-761171,Li4Mn3Cr2Sb3O16,-7.3180615854,-2.1051381788,0.0728588867,0.0728588867,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Mn-O-Sb, expected Li4Mn3Cr2Sb3O20 to be Li4Mn3Cr2Sb3O16" +mp-1176495,Mn2Cr3Sb3O16,-7.7158157996,-1.9317659623,0.110350222,0.110350222,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Cr-Mn-O-Sb,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Cr-Mn-O-Sb, expected Mn2Cr3Sb3O20 to be Mn2Cr3Sb3O16" +mp-754681,Mn3Cr2Sb3O16,-7.6634637817,-1.8998736185,0.0962498279,0.0962498279,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Cr-Mn-O-Sb,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Cr-Mn-O-Sb, expected Mn3Cr2Sb3O20 to be Mn3Cr2Sb3O16" +mp-756838,Mn3Cr3(SbO8)2,-7.9218401562,-1.9280814002,0.0657892999,0.0657892999,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cr-Mn-O-Sb,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cr-Mn-O-Sb, expected Mn3Cr3(SbO10)2 to be Mn3Cr3(SbO8)2" +mp-1105510,Mn2CrSbO6,-8.2576728845,-2.0790517283,0.0279304426,0.0279304426,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cr-Mn-O-Sb,20.0,AB2C6D_mP20_14_a_e_3e_b:Cr-Mn-O-Sb +mp-774806,Li4Mn3Cr3(SbO8)2,-7.6249553386,-2.2147445667,0.0051207498,0.0051207498,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Mn-O-Sb, expected Li4Mn3Cr3(SbO10)2 to be Li4Mn3Cr3(SbO8)2" +mp-766080,Li4Mn2Cr3Sb3O16,-7.3987044007,-2.1682441307,0.0453962954,0.0453962954,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Mn-O-Sb, expected Li4Mn2Cr3Sb3O20 to be Li4Mn2Cr3Sb3O16" +mp-1044655,MgTi2(PO4)2,-7.914020916,-2.6992994708,0.3379300488,0.3379300488,GGA,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Mg-O-P-Ti,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Mg-O-P-Ti, expected Mg2Ti7(PO5)12 to be MgTi2(PO4)2" +mp-1324481,MgAg2P2O9,-6.3333140318,-1.8610143553,0.1077728959,0.1077728959,GGA,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Ag-Mg-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Ag-Mg-O-P, expected MgAg2P2O11 to be MgAg2P2O9" +mp-1222269,Mg3Ti4(PO4)6,-8.0653166457,-2.9955017179,0.0559262526,0.0559262526,GGA,P-1,A3B24C6D4_aP37_2_ai_12i_3i_2i:Mg-O-P-Ti,37.0,A3B24C6D4_aP37_2_ai_12i_3i_2i:Mg-O-P-Ti +mp-1040985,MgAg3P3O13,-6.3154850215,-1.7832445802,0.0942171791,0.0942171791,GGA,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Ag-Mg-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Ag-Mg-O-P, expected MgAg5P3O34 to be MgAg3P3O13" +mp-1043707,MgTiAg(PO4)3,-7.4132576386,-2.528340965,0.0827465985,0.0827465985,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ag-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ag-Mg-O-P-Ti, expected MgTiAg(PO18)3 to be MgTiAg(PO4)3" +mp-561065,MgTi2(PO5)2,-8.3294411167,-3.1504573694,0.0,-0.0066627022,GGA,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Mg-O-P-Ti,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_18e_e_e:Mg-O-P-Ti, expected MgTi2(PO18)2 to be MgTi2(PO5)2" +mp-1043414,MgTi2(PO5)2,-8.1964381223,-3.0174543751,0.1330029943,0.1263402922,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Mg-O-P-Ti,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Mg-O-P-Ti, expected MgTi2(PO14)2 to be MgTi2(PO5)2" +mp-1222070,MgTi4(PO4)6,-8.3176854877,-3.0496114241,0.0,-0.006583275,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Mg-O-P-Ti,35.0,"Invalid WP multiplicities - AB24C6D4_hR105_148_a_8f_f_4c:Mg-O-P-Ti, expected MgTi8(PO8)6 to be MgTi4(PO4)6" +mp-15728,MgAg(PO3)3,-7.2008569129,-2.5442182005,0.0,-0.010499609,GGA,Pcca,ABC9D3_oP112_54_f_ae_cd8f_3f:Ag-Mg-O-P,112.0,"Invalid WP multiplicities - ABC9D3_oP112_54_f_a2e_cd11f_6f:Ag-Mg-O-P, expected Mg3Ag2(PO2)12 to be MgAg(PO3)3" +mp-1044937,MgTi2P2O9,-8.1684749891,-2.9728987393,0.124988557,0.124988557,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Mg-O-P-Ti,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Mg-O-P-Ti, expected MgTi2P2O11 to be MgTi2P2O9" +mp-1210944,Mg2Ti5(PO4)6,-8.1930127346,-2.9530569429,0.0932701975,0.0932701975,GGA,P-1,A2B24C6D5_aP37_2_i_12i_3i_a2i:Mg-O-P-Ti,37.0,A2B24C6D5_aP37_2_i_12i_3i_a2i:Mg-O-P-Ti +mp-1041140,MgTi3P3O13,-8.2459458992,-2.9542650559,0.1262740176,0.1262740176,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Mg-O-P-Ti,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Mg-O-P-Ti, expected MgTi5P3O34 to be MgTi3P3O13" +mp-1046926,MgTi3(P2O7)2,-7.9734521152,-2.691924475,0.2834047819,0.2834047819,GGA,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-Ti,44.0,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-Ti +mp-1208280,TiAgPO5,-7.6953516027,-2.5860023423,0.0,-0.0023515766,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Ag-O-P-Ti,64.0,AB5CD_oP64_33_2a_10a_2a_2a:Ag-O-P-Ti +mp-1233098,MgAg4(PO3)4,-6.4241779657,-1.950655174,0.2124717388,0.2124717388,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Mg-O-P,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Mg-O-P +mp-1368807,MgTiP2O7,-7.7412800309,-2.7458983892,0.2380095366,0.2380095366,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Ti,22.0,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Ti +mp-1041684,MgTiP2O7,-7.7561814141,-2.7607997724,0.2231081534,0.2231081534,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Ti,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Mg-O-P-Ti, expected MgTi(PO4)2 to be MgTiP2O7" +mp-1043960,MgTiP2O7,-7.7888716782,-2.7934900365,0.1904178893,0.1904178893,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mg-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Mg-O-P-Ti, expected MgTiP7O23 to be MgTiP2O7" +mp-1043685,MgTi2(PO4)3,-8.2047747208,-3.0385838243,0.0119611029,0.0119611029,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Mg-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Mg-O-P-Ti, expected MgTi2(PO26)3 to be MgTi2(PO4)3" +mp-1046541,MgTiPO5,-7.9115620419,-2.9562472757,0.1800135507,0.1800135507,GGA,C2/c,AB5CD_mC32_15_e_e2f_e_a:Mg-O-P-Ti,16.0,AB5CD_mC32_15_e_e2f_e_c:Mg-O-P-Ti +mp-1045598,MgTi(PO3)4,-7.7567338175,-2.7284423381,0.1379089669,0.1379089669,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-Ti,36.0,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-Ti +mp-756126,MnV5O12,-8.6763711689,-2.3462706035,0.061509615,0.061509615,GGA+U,C2,AB12C5_mC36_5_a_6c_b2c:Mn-O-V,18.0,"Invalid WP multiplicities - AB12C5_mC36_5_a_12c_b4c:Mn-O-V, expected MnV9O24 to be MnV5O12" +mp-756398,Mn3VO8,-8.2368357883,-1.8915473186,0.1130402199,0.1130402199,GGA+U,R-3m,A3B8C_hR36_166_d_ch_b:Mn-O-V,12.0,"Invalid WP multiplicities - A3B8C_hR36_166_d_2c2h_b:Mn-O-V, expected Mn3VO16 to be Mn3VO8" +mp-771315,Mn3VO8,-8.2855013233,-1.9402128536,0.0643746849,0.0643746849,GGA+U,P6_3mc,A3B8C_hP24_186_c_ab2c_b:Mn-O-V,24.0,"Invalid WP multiplicities - A3B8C_hP24_186_c_a2b9c_b:Mn-O-V, expected Mn3VO30 to be Mn3VO8" +mp-1194191,Mn5VO8,-8.8881195564,-2.1404415407,0.0,-0.0007833311,GGA+U,P-1,A5B8C_aP28_2_ac4i_8i_i:Mn-O-V,28.0,A5B8C_aP28_2_ac4i_8i_i:Mn-O-V +mp-1193782,Mn5VO8,-8.8879574168,-2.140279401,0.0001621396,-0.0006211914,GGA+U,C2/m,A5B8C_mC56_12_abhij_4i2j_i:Mn-O-V,28.0,A5B8C_mC56_12_abhij_4i2j_i:Mn-O-V +mp-541825,MnV2O6,-8.6559937911,-2.3215538245,0.0128827183,-0.0127006947,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Mn-O-V,18.0,AB6C2_mC18_12_a_3i_i:Mn-O-V +mp-2490654,MnV2O6,-8.6688765094,-2.3344365428,0.0,-0.0255834131,GGA+U,C2/m,AB6C2_mC18_12_a_3i_i:Mn-O-V,18.0,AB6C2_mC18_12_a_3i_i:Mn-O-V +mp-754274,MnV2O6,-8.6676435861,-2.3332036195,0.0012329233,-0.0243504897,GGA+U,C2/c,AB6C2_mC36_15_e_3f_f:Mn-O-V,18.0,AB6C2_mC36_15_e_3f_f:Mn-O-V +mp-1189063,MnV2O7,-8.204509357,-2.0088445159,0.1361103437,0.1361103437,GGA+U,P-1,AB7C2_aP20_2_i_7i_2i:Mn-O-V,20.0,AB7C2_aP20_2_i_7i_2i:Mn-O-V +mp-1221657,Mn5V4O12,-9.0255740819,-2.2871947831,0.0,-0.0155544068,GGA+U,C2/c,A5B12C4_mC84_15_e2f_6f_acf:Mn-O-V,42.0,"Invalid WP multiplicities - A5B12C4_mC84_15_2e4f_24f_2a2c2f:Mn-O-V, expected Mn5V4O24 to be Mn5V4O12" +mp-1176451,Mn5VO12,-8.2186946711,-1.8712365008,0.0673812369,0.0673812369,GGA+U,C2/m,A5B12C_mC36_12_agh_2i2j_d:Mn-O-V,18.0,"Invalid WP multiplicities - A5B12C_mC36_12_a2gh_4i5j_c:Mn-O-V, expected Mn7VO28 to be Mn5VO12" +mp-774945,MnV3O8,-8.64364377,-2.311373504,0.0597348767,0.0597348767,GGA+U,P1,AB8C3_aP12_1_a_8a_3a:Mn-O-V,12.0,AB8C3_aP12_1_a_8a_3a:Mn-O-V +mp-756087,MnV3O8,-8.6458594075,-2.3135891415,0.0575192392,0.0575192392,GGA+U,Cm,AB8C3_mC24_8_a_8a_3a:Mn-O-V,12.0,AB8C3_mC24_8_a_8a_3a:Mn-O-V +mp-1106224,MnVO3,-8.902717021499999,-2.2855195223,0.0340148151,0.0340148151,GGA+U,Pnma,AB3C_oP20_62_c_cd_a:Mn-O-V,20.0,AB3C_oP20_62_c_cd_a:Mn-O-V +mp-1211166,MnV2O10,-7.2725768065,-1.3651372262,0.2848280505,0.2848280505,GGA+U,Cc,AB10C2_mC52_9_a_10a_2a:Mn-O-V,26.0,AB10C2_mC52_9_a_10a_2a:Mn-O-V +mp-772119,Mn3V2O10,-8.3636437207,-2.0222607121,0.101072468,0.101072468,GGA+U,P-1,A3B10C2_aP15_2_ai_5i_i:Mn-O-V,30.0,"Invalid WP multiplicities - A3B10C2_aP15_2_2a2i_5i_i:Mn-O-V, expected Mn3VO5 to be Mn3V2O10" +mp-531419,Mn4V4O13,-8.7355351226,-2.197885661,0.12465245,0.12465245,GGA+U,P-1,A4B13C4_aP84_2_8i_26i_8i:Mn-O-V,84.0,"Invalid WP multiplicities - A4B13C4_aP84_2_14i_52i_14i:Mn-O-V, expected Mn7V7O26 to be Mn4V4O13" +mp-17899,Mn3V2O8,-8.8375719385,-2.2816205764,0.0,-0.0095435832,GGA+U,Cmce,A3B8C2_oC52_64_ae_2fg_f:Mn-O-V,26.0,"Invalid WP multiplicities - A3B8C2_oC52_64_ae_4fg_f:Mn-O-V, expected Mn3V2O12 to be Mn3V2O8" +mp-1221916,Mn3V2O8,-8.8290614849,-2.2731101229,0.0085104536,-0.0010331296,GGA+U,I-4,A3B8C2_tI78_82_aefg_6g_bcg:Mn-O-V,39.0,"Invalid WP multiplicities - A3B8C2_tI78_82_a2e2fg_24g_bcg:Mn-O-V, expected Mn13V6O96 to be Mn3V2O8" +mp-532522,Mn7V5O16,-8.99743911,-2.2581299395,0.0143895194,0.0143895194,GGA+U,P-1,A7B16C5_aP56_2_abdh5i_16i_cf4i:Mn-O-V,56.0,"Invalid WP multiplicities - A7B16C5_aP56_2_abdh10i_32i_cf5i:Mn-O-V, expected Mn6V3O16 to be Mn7V5O16" +mp-531842,Mn7V5O16,-8.9889962563,-2.2496870857,0.0228323731,0.0228323731,GGA+U,Pnnm,A7B16C5_oP56_58_a3g_4g2h_ch:Mn-O-V,56.0,"Invalid WP multiplicities - A7B16C5_oP56_58_2a10g_15g13h_2c3h:Mn-O-V, expected Mn11V7O41 to be Mn7V5O16" +mp-819330,MnV2O4,-5.9662216307,0.7647186946000001,3.1413280709,3.1413280709,GGA+U,P-1,AB4C2_aP14_2_i_4i_abce:Mn-O-V,14.0,"Invalid WP multiplicities - AB4C2_aP14_2_i_7i_abce:Mn-O-V, expected MnV2O7 to be MnV2O4" +mp-754298,MnV2O4,-9.0562076568,-2.3252673315,0.0513420448,0.0513420448,GGA+U,Pnma,AB4C2_oP28_62_c_4c_2c:Mn-O-V,28.0,"Invalid WP multiplicities - AB4C2_oP28_62_c_12c_7c:Mn-O-V, expected MnV7O12 to be MnV2O4" +mp-531268,MnV2O4,-9.1002702391,-2.3693299138,0.0072794625,0.0072794625,GGA+U,R3m,AB4C2_hR168_160_8a_8a8b_4a4b:Mn-O-V,56.0,"Invalid WP multiplicities - AB4C2_hR168_160_8a_8a20b_4a11b:Mn-O-V, expected Mn8V37O68 to be MnV2O4" +mp-35475,MnV2O4,-9.0549799657,-2.3240396404,0.0525697359,0.0525697359,GGA+U,Fd-3m,AB4C2_cF56_227_a_e_d:Mn-O-V,14.0,AB4C2_cF56_227_a_e_d:Mn-O-V +mp-758590,MnV4O12,-8.3039513818,-2.1358393755,0.0688113766,0.0688113766,GGA+U,P1,AB12C4_aP17_1_a_12a_4a:Mn-O-V,17.0,AB12C4_aP17_1_a_12a_4a:Mn-O-V +mp-752792,MnV4O12,-8.3165749776,-2.1484629713,0.0561877807,0.0561877807,GGA+U,C2,AB12C4_mC34_5_a_6c_2c:Mn-O-V,34.0,AB12C4_mC34_5_a_6c_2c:Mn-O-V +mp-1295909,Mn2V2O7,-8.625342056400001,-2.1600089925,0.1608857482,0.1432181157,GGA+U,P1,A2B7C2_aP11_1_2a_7a_2a:Mn-O-V,11.0,A2B7C2_aP11_1_2a_7a_2a:Mn-O-V +mp-562107,Mn2V2O7,-8.7823015443,-2.3169684804,0.0039262602,-0.0137413723,GGA+U,P-1,A2B7C2_aP44_2_4i_14i_4i:Mn-O-V,44.0,"Invalid WP multiplicities - A2B7C2_aP44_2_7i_27i_7i:Mn-O-V, expected Mn7V7O27 to be Mn2V2O7" +mp-1221818,Mn2V2O7,-8.7860306955,-2.3206976316,0.0001971091,-0.0174705234,GGA+U,C2,A2B7C2_mC22_5_2a_b3c_c:Mn-O-V,11.0,A2B7C2_mC22_12_h_aij_i:Mn-O-V +mp-19142,Mn2V2O7,-8.7862278045,-2.3208947406,0.0,-0.0176676325,GGA+U,C2/m,A2B7C2_mC22_12_h_aij_i:Mn-O-V,11.0,A2B7C2_mC22_12_h_aij_i:Mn-O-V +mp-1203804,MnV2O8,-7.80219389,-1.7200723334,0.2298866299,0.2298866299,GGA+U,Pnma,AB8C2_oP44_62_c_2c3d_d:Mn-O-V,44.0,AB8C2_oP44_62_c_2c3d_d:Mn-O-V +mp-531700,Mn2VO4,-8.9430131857,-2.2009144001,0.027579086,0.027579086,GGA+U,P1,A2B4C_aP56_1_16a_32a_8a:Mn-O-V,56.0,A2B4C_aP56_1_16a_32a_8a:Mn-O-V +mp-531591,Mn2VO4,-8.9414047423,-2.1993059567,0.0291875294,0.0291875294,GGA+U,P1,A2B4C_aP70_1_20a_40a_10a:Mn-O-V,70.0,A2B4C_aP70_1_20a_40a_10a:Mn-O-V +mp-531351,Mn2VO4,-8.9421184098,-2.2000196242,0.0284738619,0.0284738619,GGA+U,Cm,A2B4C_mC112_8_8a4b_16a8b_8a:Mn-O-V,56.0,"Invalid WP multiplicities - A2B4C_mC112_8_8a5b_16a16b_8a:Mn-O-V, expected Mn9V4O24 to be Mn2VO4" +mp-763551,Mn2VO4,-8.9070954964,-2.1649967108,0.0634967753,0.0634967753,GGA+U,R3m,A2B4C_hR42_160_ab_2a2b_2a:Mn-O-V,14.0,"Invalid WP multiplicities - A2B4C_hR42_160_a2b_2a3b_2a:Mn-O-V, expected Mn7V2O11 to be Mn2VO4" +mp-1211891,MnV8O24,-7.9603145311,-1.8829268668,0.224288017,0.224288017,GGA+U,P2_1/c,AB24C8_mP66_14_a_12e_4e:Mn-O-V,66.0,AB24C8_mP66_14_a_12e_4e:Mn-O-V +mp-25321,MnVO4,-8.5157789525,-2.1769995847,0.0254973565,0.0254973565,GGA+U,Cmcm,AB4C_oC24_63_a_fg_c:Mn-O-V,12.0,"Invalid WP multiplicities - AB4C_oC24_63_a_3f2g_c:Mn-O-V, expected MnVO10 to be MnVO4" +mp-756542,MnVO4,-8.4625950958,-2.123815728,0.0786812131,0.0786812131,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Mn-O-V,12.0,"Invalid WP multiplicities - AB4C_oI24_74_a_h2i_e:Mn-O-V, expected MnVO6 to be MnVO4" +mp-1280622,MnVO4,-8.5201716483,-2.1813922805,0.0211046606,0.0211046606,GGA+U,Imma,AB4C_oI24_74_a_hi_e:Mn-O-V,12.0,AB4C_oI24_74_a_hi_e:Mn-O-V +mp-849562,Mn2V3O12,-8.1496911582,-1.9769844918,0.075035514,0.075035514,GGA+U,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Mn-O-V,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_3e_43e_11e:Mn-O-V, expected Mn3V11O43 to be Mn2V3O12" +mp-1104379,RbMnCl3O2,-4.8301646821,-1.1756594297,0.443674249,0.443674249,GGA+U,P-1,A3BC2D_aP14_2_3i_i_2i_i:Cl-Mn-O-Rb,14.0,A3BC2D_aP14_2_3i_i_2i_i:Cl-Mn-O-Rb +mp-1193478,RbMnCl3O2,-4.7493067932,-1.0948015408,0.5245321379,0.5245321379,GGA+U,Pcca,A3BC2D_oP28_54_df_c_f_e:Cl-Mn-O-Rb,28.0,A3BC2D_oP28_54_df_c_f_e:Cl-Mn-O-Rb +mp-19472,Rb2MnV2O7,-7.7161827523,-2.3897063726,0.0,-0.0192815043,GGA+U,P4_2/mnm,AB7C2D2_tP48_136_d_ejk_fg_j:Mn-O-Rb-V,48.0,AB7C2D2_tP48_136_d_ejk_fg_j:Mn-O-Rb-V +mp-699008,Rb2MnV2(ClO3)2,-6.8591436565,-2.03852049,0.26835789,0.26835789,GGA+U,P1,A2BC6D2E2_aP26_1_4a_2a_12a_4a_4a:Cl-Mn-O-Rb-V,26.0,A2BC6D2E2_aP26_1_4a_2a_12a_4a_4a:Cl-Mn-O-Rb-V +mp-1219796,Rb2MnV2(ClO3)2,-7.1100515442,-2.2894283777,0.0174500023,0.0174500023,GGA+U,Cm,A2BC6D2E2_mC26_8_2a_a_3b_b_b:Cl-Mn-O-Rb-V,26.0,A2BC6D2E2_mC26_8_2a_a_3b_b_b:Cl-Mn-O-Rb-V +mp-1173545,Rb2MnV2(ClO3)2,-7.1011041381,-2.2804809716,0.0263974085,0.0263974085,GGA+U,Iba2,A2BC6D2E2_oI52_45_ab_a_3c_c_c:Cl-Mn-O-Rb-V,26.0,"Invalid WP multiplicities - A2BC6D2E2_oI52_45_2a2b_a_7c_c_c:Cl-Mn-O-Rb-V, expected Rb2MnV2(Cl2O7)2 to be Rb2MnV2(ClO3)2" +mp-1078743,Rb2Mn(Cl2O)2,-4.6026654656,-1.4459312989,0.333379321,0.333379321,GGA+U,P-1,A4BC2D2_aP9_2_2i_a_i_i:Cl-Mn-O-Rb,9.0,A4BC2D2_aP9_2_2i_a_i_i:Cl-Mn-O-Rb +mp-559311,RbMnVO4,-7.9152005759,-2.3418848217,0.0,-0.0107286246,GGA+U,P6_3,AB4CD_hP56_173_bc_b5c_ac_bc:Mn-O-Rb-V,56.0,"Invalid WP multiplicities - AB4CD_hP56_173_2b3c_2b26c_ac_2b3c:Mn-O-Rb-V, expected Rb4Mn11V11O80 to be RbMnVO4" +mp-1047187,Mg2MnWO6,-7.953727668,-2.453643879,0.101722151,0.0996313355,GGA+U,C2,A2BC6D_mC20_5_c_a_3c_b:Mg-Mn-O-W,10.0,A2BC6D_mC20_5_c_a_3c_b:Mg-Mn-O-W +mp-1273600,Mg2MnWO6,-8.0098520615,-2.5097682725,0.0455977575,0.043506942,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Mg-Mn-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Mg-Mn-O-W +mp-1275545,Mg2MnWO6,-8.055449819,-2.55536603,0.0,-0.0020908155,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Mg-Mn-O-W,20.0,"Invalid WP multiplicities - A2BC6D_hR30_146_2a_a_3b_a:Mg-Mn-O-W, expected Mg2MnWO9 to be Mg2MnWO6" +mp-19420,Sr2MgWO6,-7.751279129,-2.9895261836,0.0,-0.0532139008,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Mg-O-Sr-W,10.0,AB6C2D_tI20_87_a_eh_d_b:Mg-O-Sr-W +mp-18848,Sr2MgWO6,-7.742087574,-2.9803346286,0.009191555,-0.0440223458,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mg-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Mg-O-Sr-W +mp-2226704,MgMn2(WO4)2,-8.6734637223,-2.1031498158,0.1769168788,0.1769168788,GGA+U,P2,AB2C8D2_mP13_3_a_ac_4e_bd:Mg-Mn-O-W,13.0,AB2C8D2_mP13_3_a_ac_4e_bd:Mg-Mn-O-W +mp-2218882,Sr2Mg(WO4)2,-8.0737071669,-2.6530120049,0.1204383586,0.1204383586,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sr-W,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_6c_ab_ab:Mg-O-Sr-W, expected Sr2Mg(WO6)2 to be Sr2Mg(WO4)2" +mp-1233250,Sr6Mg(W2O9)2,-8.02431203,-2.7618927716,0.0970428332,0.0970428332,GGA+U,P1,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W,29.0,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W +mp-1233737,Sr6Mg(W2O9)2,-8.021329829,-2.7589105706,0.1000250343,0.1000250343,GGA+U,P1,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W,29.0,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W +mp-1234368,Sr6Mg(W2O9)2,-8.0478764562,-2.7854571978,0.073478407,0.073478407,GGA+U,P1,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W,29.0,AB18C6D4_aP29_1_a_18a_6a_4a:Mg-O-Sr-W +mp-1233164,Sr6Mg(W2O9)2,-8.0115938272,-2.7491745689,0.109761036,0.109761036,GGA+U,P-1,AB18C6D4_aP29_2_a_9i_3i_2i:Mg-O-Sr-W,29.0,"Invalid WP multiplicities - AB18C6D4_aP29_2_a_17i_5i_4i:Mg-O-Sr-W, expected Sr10Mg(W4O17)2 to be Sr6Mg(W2O9)2" +mp-1233382,Sr6Mg(W2O9)2,-7.9233196807,-2.6609004223,0.1980351825,0.1980351825,GGA+U,R-3,AB18C6D4_hR87_148_a_3f_f_2c:Mg-O-Sr-W,29.0,"Invalid WP multiplicities - AB18C6D4_hR87_148_a_13f_f_4c:Mg-O-Sr-W, expected Sr6Mg(W4O39)2 to be Sr6Mg(W2O9)2" +mp-1234776,Sr6Mg(W2O9)2,-7.77791033,-2.5154910716,0.3434445332,0.3434445332,GGA+U,R32,AB18C6D4_hR87_155_a_de2f_de_2c:Mg-O-Sr-W,29.0,"Invalid WP multiplicities - AB18C6D4_hR87_155_a_3d2e9f_2d2e_3c:Mg-O-Sr-W, expected Sr12Mg(W2O23)3 to be Sr6Mg(W2O9)2" +mp-1519277,Sr2MnWO6,-8.251399284,-2.7334728144,0.0,-0.0119975628,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Mn-O-Sr-W +mp-1026570,SrMg14W,-2.105017695,0.210703829,0.245420764,0.245420764,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-W, expected SrMg18W to be SrMg14W" +mp-1026558,SrMg14W,-2.1012945425,0.2144269815,0.2491439165,0.2491439165,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-W, expected SrMg26W to be SrMg14W" +mp-1016318,SrMg6W,-2.5987059044,0.4324570935,0.4806919506,0.4806919506,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sr-W, expected SrMg12W to be SrMg6W" +mp-1016330,SrMg6W,-2.7242963162,0.3068666817,0.3551015387,0.3551015387,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Sr-W,8.0,A6BC_tP8_123_ej_b_d:Mg-Sr-W +mp-1516907,KEuBiSbO6,-6.983035286,-2.0813329476,0.1680650445,0.1680650445,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Sb +mp-1227945,BaFeO2F,-7.02181946,-2.583048952,0.129023685,0.129023685,GGA+U,P4/mmm,ABCD2_tP5_123_c_a_b_e:Ba-F-Fe-O,5.0,ABCD2_tP5_123_c_a_b_e:Ba-F-Fe-O +mp-1228011,BaLa2Fe2O5F4,-7.5472867293,-3.182258801,0.1447557714,0.1447557714,GGA+U,Imm2,AB4C2D2E5_oI28_44_a_2c_c_c_b2c:Ba-F-Fe-La-O,14.0,"Invalid WP multiplicities - AB4C2D2E5_oI28_44_a_2c_c_c_b4c:Ba-F-Fe-La-O, expected BaLa2Fe2O9F4 to be BaLa2Fe2O5F4" +mp-1196275,BaFeOF5,-5.7343966672,-2.6227617048000003,0.3048783358,0.3048783358,GGA+U,Pbcn,AB5CD_oP64_60_d_5d_d_d:Ba-F-Fe-O,64.0,AB5CD_oP64_60_d_5d_d_d:Ba-F-Fe-O +mp-821363,Ba7Fe6(OF16)2,-6.0247835945,-3.1457696323,0.1099468421,0.1099468421,GGA+U,C2/m,A7B32C6D2_mC94_12_aij_2i7j_ij_i:Ba-F-Fe-O,47.0,A7B32C6D2_mC94_12_aij_2i7j_ij_i:Ba-F-Fe-O +mp-1516357,NaLiZrWO6,-8.08905475,-2.6473136212,0.0980058183,0.0980058183,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Li-Na-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Li-Na-O-W-Zr +mp-557309,Na3LiWO5,-6.5600524355,-2.2032451822,0.0,-0.0111894236,GGA+U,P-1,AB3C5D_aP20_2_i_3i_5i_i:Li-Na-O-W,20.0,"Invalid WP multiplicities - AB3C5D_aP20_2_i_6i_9i_i:Li-Na-O-W, expected Na6LiWO9 to be Na3LiWO5" +mp-1517013,NaLi(WO3)4,-8.5291701289,-2.1722682614,0.0446536565,0.0446536565,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Li-Na-O-W,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Li-Na-O-W, expected NaLi(W2O9)2 to be NaLi(WO3)4" +mp-558710,Na2Zr(WO4)3,-8.5261460022,-2.4468456443,0.0414818749,0.0414818749,GGA+U,I4_1,A2B12C3D_tI72_80_2a_6b_3a_a:Na-O-W-Zr,36.0,"Invalid WP multiplicities - A2B12C3D_tI72_80_3a_16b_5a_a:Na-O-W-Zr, expected Na3ZrW5O32 to be Na2Zr(WO4)3" +mp-1518636,Na2ZrWO6,-8.069550497,-2.6864491256000003,0.012681862,0.012681862,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Na-O-W-Zr,,A2B6CD_cF40_225_c_e_a_b:Na-O-W-Zr +mp-1221439,Na4Li5(WO3)10,-8.1434166622,-2.1675660675,0.0546849908,0.0546849908,GGA+U,P1,A5B4C30D10_aP49_1_5a_4a_30a_10a:Li-Na-O-W,49.0,A5B4C30D10_aP49_1_5a_4a_30a_10a:Li-Na-O-W +mp-1208809,Sr3V3(BiO7)2,-7.5230134884,-2.5568853617,0.0276421781,0.0276421781,GGA+U,P-1,A2B14C3D3_aP44_2_2i_14i_3i_3i:Bi-O-Sr-V,44.0,A2B14C3D3_aP44_2_2i_14i_3i_3i:Bi-O-Sr-V +mp-556533,Sr2V3BiO11,-7.8785054191,-2.6499895326000003,0.0,-0.0003103678,GGA+U,P-1,AB11C2D3_aP34_2_i_11i_2i_3i:Bi-O-Sr-V,34.0,AB11C2D3_aP34_2_i_11i_2i_3i:Bi-O-Sr-V +mp-1644003,Sr3CaV4O12,-8.0480026403,-2.9095041875,0.0337473939,0.0337473939,GGA+U,P2/m,AB12C3D4_mP20_10_d_acm4n_gm_bfn:Ca-O-Sr-V,40.0,AB12C3D4_mP20_10_d_acm4n_gm_bfn:Ca-O-Sr-V +mp-1218542,Sr3CaV4O12,-8.00770518,-2.8692067273,0.0740448541,0.0740448541,GGA+U,Pmmm,AB12C3D4_oP20_47_c_abj2x_di_efl:Ca-O-Sr-V,20.0,"Invalid WP multiplicities - AB12C3D4_oP20_47_c_ab2j4x_d2i_ef2l:Ca-O-Sr-V, expected Sr5CaV6O22 to be Sr3CaV4O12" +mp-1319495,Sr3CaV4O12,-8.04301384,-2.9045153873,0.0387361941,0.0387361941,GGA+U,Fmmm,AB12C3D4_oF160_69_f_dgj4m_en_abim:Ca-O-Sr-V,40.0,"Invalid WP multiplicities - AB12C3D4_oF160_69_f_dgj11m_en_abim:Ca-O-Sr-V, expected Sr3CaV4O26 to be Sr3CaV4O12" +mp-1343410,Ca3V2(BiO6)2,-7.2613527795,-2.4599920124,0.0675485961,0.0675485961,GGA+U,P1,A2B3C12D2_aP19_1_2a_3a_12a_2a:Bi-Ca-O-V,19.0,A2B3C12D2_aP19_1_2a_3a_12a_2a:Bi-Ca-O-V +mp-553895,SrV4(Bi3O10)2,-7.3570014652,-2.1956522155,0.0,-0.0162498902,GGA+U,P-1,A6B20CD4_aP31_2_3i_10i_a_2i:Bi-O-Sr-V,31.0,"Invalid WP multiplicities - A6B20CD4_aP31_2_5i_18i_a_4i:Bi-O-Sr-V, expected SrV8(Bi5O18)2 to be SrV4(Bi3O10)2" +mp-532540,Sr3Ca6V7BiO28,-7.8756701833,-2.9192880683,0.0,-0.0103243562,GGA+U,Cc,AB6C28D3E7_mC180_9_a_6a_28a_3a_7a:Bi-Ca-O-Sr-V,90.0,"Invalid WP multiplicities - AB6C28D3E7_mC180_9_a_12a_56a_6a_14a:Bi-Ca-O-Sr-V, expected Sr6Ca12V14BiO56 to be Sr3Ca6V7BiO28" +mp-1523281,SrCaV4O12,-8.0340464033,-2.5123251729,0.174493694,0.174493694,GGA+U,Cmmm,AB12CD4_oC36_65_a_efno_c_m:Ca-O-Sr-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_65_a_2e2fno_c_m:Ca-O-Sr-V, expected SrCaV4O16 to be SrCaV4O12" +mp-1325619,CaV2(BiO5)2,-7.2561161362,-2.10136431,0.1284349787,0.1284349787,GGA+U,Pca2_1,A2BC10D2_oP60_29_2a_a_10a_2a:Bi-Ca-O-V,60.0,"Invalid WP multiplicities - A2BC10D2_oP60_29_5a_a_33a_4a:Bi-Ca-O-V, expected CaV4Bi5O33 to be CaV2(BiO5)2" +mp-1374254,CaVBiO6,-7.1034535511,-2.1467727347,0.1294582119,0.1294582119,GGA+U,P2_1,ABC6D_mP18_4_a_a_6a_a:Bi-Ca-O-V,18.0,"Invalid WP multiplicities - ABC6D_mP18_4_a_a_10a_a:Bi-Ca-O-V, expected CaVBiO10 to be CaVBiO6" +mp-1218701,Sr3V3BiO12,-7.7092372529,-2.6818187142000003,0.0745414015,0.0745414015,GGA+U,C2/m,AB12C3D3_mC76_12_g_2i5j_ij_ij:Bi-O-Sr-V,38.0,"Invalid WP multiplicities - AB12C3D3_mC76_12_g_4i15j_2ij_2i3j:Bi-O-Sr-V, expected Sr4V8BiO34 to be Sr3V3BiO12" +mp-1218581,SrCa3V4O12,-8.0952163775,-2.9251072821,0.0148192451,0.0148192451,GGA+U,Pm,A3B12CD4_mP20_6_a2b_2a2b4c_a_2c:Ca-O-Sr-V,20.0,"Invalid WP multiplicities - A3B12CD4_mP20_6_a2b_2a2b4c_a_4c:Ca-O-Sr-V, expected SrCa3V8O12 to be SrCa3V4O12" +mp-1518804,Ca2VBiO6,-7.028905622,-2.3673328993,0.3444761637,0.3444761637,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-V,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-V +mp-1044259,CaVBiO5,-7.5094328825,-2.551503053,0.009256762,-0.0321724259,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-V,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-V, expected CaVBiO15 to be CaVBiO5" +mp-560755,CaVBiO5,-7.5186896445,-2.560759815,0.0,-0.041429188,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-V,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-V, expected CaVBiO31 to be CaVBiO5" +mp-1218693,Sr2V3Bi3O14,-7.5045962707,-2.4406956132,0.0,-0.0017144359,GGA+U,P-1,A3B14C2D3_aP44_2_3i_14i_2i_3i:Bi-O-Sr-V,44.0,A3B14C2D3_aP44_2_3i_14i_2i_3i:Bi-O-Sr-V +mp-1351351,Sr2V3Bi3O14,-6.3729484941,-1.3090478366,1.1316477766,1.1299333407,GGA+U,P-1,A3B14C2D3_aP44_2_3i_14i_2i_3i:Bi-O-Sr-V,44.0,A3B14C2D3_aP44_2_3i_14i_2i_3i:Bi-O-Sr-V +mp-1210152,NaNb7V2O14,-9.2669093612,-2.6230295833,0.0,-0.0008558464,GGA+U,P6_3/mmc,AB7C14D2_hP48_194_b_ck_fghk_f:Na-Nb-O-V,48.0,AB7C14D2_hP48_194_b_ck_fghk_f:Na-Nb-O-V +mp-1212549,NaV4Bi13O30,-6.8581718373000005,-1.9418141373,0.0,-0.0100756369,GGA+U,C2,A13BC30D4_mC384_5_26c_2c_60c_8c:Bi-Na-O-V,192.0,A13BC30D4_mC384_5_26c_2c_60c_8c:Bi-Na-O-V +mp-553887,NaV2Bi3O10,-7.1199274425,-2.0900091965,0.0072066244,-0.0041052258,GGA+U,P1,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Na-O-V,16.0,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Na-O-V +mp-1220913,NaV2Bi3O10,-7.1271340669,-2.0972158209,0.0,-0.0113118502,GGA+U,P1,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Na-O-V,16.0,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Na-O-V +mp-1210725,Na3V4(Bi10O21)2,-6.5566155588,-1.8482980424,0.0205615326,0.0205615326,GGA+U,C2/m,A20B3C42D4_mC138_12_2i4j_ag_7i7j_2i:Bi-Na-O-V,69.0,A20B3C42D4_mC138_12_2i4j_ag_7i7j_2i:Bi-Na-O-V +mp-1036297,Mg14MnVO16,-6.6583817669,-2.9147298468,0.0205847176,0.0205847176,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-V,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-V, expected Mg18MnVO20 to be Mg14MnVO16" +mp-1036151,Mg14MnVO16,-6.6599380225,-2.9162861024,0.019028462,0.019028462,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-V,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-V, expected Mg30MnVO32 to be Mg14MnVO16" +mp-2217303,MgTi2V2O6,-8.6195086073,-2.6886714717,0.2071058605,0.2071058605,GGA+U,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-V,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-V +mp-2227825,MgTi2V2O6,-8.6162051236,-2.6853679881,0.2104093441,0.2104093441,GGA+U,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-V,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-V +mp-1036800,Mg30TiVO32,-6.4768390666,-2.9880603424,0.0432393421,0.0432393421,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Ti-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Ti-V, expected Mg90TiVO80 to be Mg30TiVO32" +mp-1036804,Mg30TiVO32,-6.4778459495,-2.9890672254,0.0422324591,0.0422324591,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Ti-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Ti-V, expected Mg110TiVO72 to be Mg30TiVO32" +mp-1034584,Mg14TiVO16,-6.6336398941,-2.9295668264,0.0789922432,0.0789922432,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Ti-V,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Ti-V, expected Mg18TiVO20 to be Mg14TiVO16" +mp-1034443,Mg14TiVO16,-6.6310012922,-2.9269282245,0.0816308451,0.0816308451,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Ti-V,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Ti-V, expected Mg30TiVO32 to be Mg14TiVO16" +mp-1028162,Mg14MnV,-2.4084146238,0.1322005051,0.1806509484,0.1806509484,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-V, expected Mg18MnV to be Mg14MnV" +mp-1028144,Mg14MnV,-2.410566615,0.1300485139,0.1784989572,0.1784989572,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-V, expected Mg26MnV to be Mg14MnV" +mp-1022980,Mg6MnV,-3.2158205962,0.2651296115,0.3472417135,0.3472417135,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-V, expected Mg12MnV to be Mg6MnV" +mp-1022976,Mg6MnV,-3.2158863487,0.265063859,0.347175961,0.347175961,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-V, expected Mg12MnV to be Mg6MnV" +mp-1038168,Mg30MnVO32,-6.4939178375,-2.9853496872000003,0.0093277448,0.0093277448,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-V, expected Mg90MnVO80 to be Mg30MnVO32" +mp-1038167,Mg30MnVO32,-6.4946730809,-2.9861049306,0.0085725013,0.0085725013,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-V, expected Mg110MnVO72 to be Mg30MnVO32" +mp-1031817,Mg6MnVO8,-6.9847499944,-2.7709305349,0.0456582947,0.0456582947,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-V, expected Mg6MnVO12 to be Mg6MnVO8" +mp-1031846,Mg6MnVO8,-6.9843618925,-2.770542433,0.0460463965,0.0460463965,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-V, expected Mg6MnVO12 to be Mg6MnVO8" +mp-2229196,MgMnV4O12,-8.2755382211,-2.3611946568,0.0779060889,0.0714762586,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V +mp-2229046,MgMnV4O12,-8.22556153,-2.3112179657,0.12788278,0.1214529497,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V +mp-2229003,MgMnV4O12,-8.2210854061,-2.3067418418,0.1323589039,0.1259290736,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V +mp-2229375,MgMnV4O12,-8.2075324817,-2.2931889174,0.1459118283,0.1394819981,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V +mp-2229422,MgMnV4O12,-8.26345488,-2.3491113157,0.08998943,0.0835595997,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Mn-O-V +mp-2232942,MgMnV4O12,-8.35344431,-2.4391007457,0.0,-0.0064298303,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Mg-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Mg-Mn-O-V, expected MgMnV8O24 to be MgMnV4O12" +mp-2228368,MgMnV4O12,-8.2746955533,-2.3603519891,0.0787487567,0.0723189264,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Mg-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Mg-Mn-O-V, expected MgMnV8O24 to be MgMnV4O12" +mp-2232992,MgMn3V2O10,-8.2974218713,-2.2523577976,0.09678363,0.09678363,GGA+U,P1,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V,16.0,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V +mp-2233015,MgMn3V2O10,-8.29261893,-2.2475548563,0.1015865712,0.1015865712,GGA+U,P1,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V,16.0,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V +mp-2232908,MgMn3V2O10,-8.2528590612,-2.2077949876,0.14134644,0.14134644,GGA+U,P1,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V,16.0,AB3C10D2_aP16_1_a_3a_10a_2a:Mg-Mn-O-V +mp-2232625,MgMn3V2O10,-8.2557680831,-2.2107040095,0.1384374181,0.1384374181,GGA+U,P-1,AB3C10D2_aP16_2_b_di_5i_i:Mg-Mn-O-V,16.0,"Invalid WP multiplicities - AB3C10D2_aP16_2_b_di_9i_i:Mg-Mn-O-V, expected MgMn3V2O18 to be MgMn3V2O10" +mp-2224797,MgMn2V2O8,-8.1932201292,-2.2189407089,0.22325035,0.22325035,GGA+U,C2/m,AB2C8D2_mC26_12_b_ac_2ij_i:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_12_a_bc_3i2j_i:Mg-Mn-O-V, expected MgMn2V2O14 to be MgMn2V2O8" +mp-2219320,MgMn2V2O8,-8.3617796323,-2.387500212,0.0546908469,0.0546908469,GGA+U,Amm2,AB2C8D2_oC26_38_a_c_2cde_ab:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_oC26_38_a_c_4cd2e_ab:Mg-Mn-O-V, expected MgMn2V2O14 to be MgMn2V2O8" +mp-2219066,MgMn2V2O8,-8.2367891762,-2.2625097558,0.1796813031,0.1796813031,GGA+U,Amm2,AB2C8D2_oC26_38_a_c_2cde_ab:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_oC26_38_a_c_4c2de_ab:Mg-Mn-O-V, expected MgMn2V2O14 to be MgMn2V2O8" +mp-2230045,MgMn2V4O12,-8.4644738184,-2.3792001632,0.0866867076,0.0866867076,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Mn-O-V,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_5_a_ab_12c_4c:Mg-Mn-O-V, expected MgMn2V8O24 to be MgMn2V4O12" +mp-1233227,MgTi3V5O16,-8.8415055756,-2.8473733424,0.0738071346,0.0738071346,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1233390,MgTi3V5O16,-8.8234545168,-2.8293222836,0.0918581934,0.0918581934,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1233413,MgTi3V5O16,-8.817949370800001,-2.8238171376,0.0973633394,0.0973633394,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1233624,MgTi3V5O16,-8.798783136,-2.8046509028,0.1165295742,0.1165295742,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1233709,MgTi3V5O16,-8.8500410712,-2.855908838,0.065271639,0.065271639,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1233933,MgTi3V5O16,-8.8197936732,-2.82566144,0.095519037,0.095519037,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1234294,MgTi3V5O16,-8.7939983784,-2.7998661452,0.1213143318,0.1213143318,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1234517,MgTi3V5O16,-8.7744258868,-2.7802936536,0.1408868234,0.1408868234,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-1234939,MgTi3V5O16,-8.8188521632,-2.82471993,0.096460547,0.096460547,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-2216104,MgTi3V5O16,-8.7856768044,-2.7915445712,0.1296359058,0.1296359058,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Mg-O-Ti-V +mp-2219286,MgMnV3O8,-8.3354594346,-2.367188416,0.1705707805,0.1705707805,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V +mp-2219329,MgMnV3O8,-8.3218202231,-2.3535492045,0.184209992,0.184209992,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V +mp-2219052,MgMnV3O8,-8.347537365400001,-2.3792663468,0.1584928497,0.1584928497,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Mg-Mn-O-V +mp-2227213,MgMn3VO8,-8.12397008,-2.143682258,0.1530908048,0.1530908048,GGA+U,P-1,AB3C8D_aP13_2_b_ade_4i_c:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB3C8D_aP13_2_b_ade_8i_c:Mg-Mn-O-V, expected MgMn3VO16 to be MgMn3VO8" +mp-2241282,MgMn3VO8,-8.1427997238,-2.1625119018,0.134261161,0.134261161,GGA+U,C2,AB3C8D_mC26_5_b_ac_4c_a:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB3C8D_mC26_5_b_a2c_7c_a:Mg-Mn-O-V, expected MgMn5VO14 to be MgMn3VO8" +mp-2218766,MgMn3VO8,-8.1381519515,-2.1578641295,0.1389089333,0.1389089333,GGA+U,C2/m,AB3C8D_mC26_12_c_be_2ij_a:Mg-Mn-O-V,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_c_bf_4i3j_a:Mg-Mn-O-V, expected MgMn3VO20 to be MgMn3VO8" +mp-2217265,MgMnV2O6,-8.291519859,-2.430495884,0.1171349563,0.1171349563,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V +mp-2217275,MgMnV2O6,-8.3365241,-2.475500125,0.0721307153,0.0721307153,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V +mp-2217451,MgMnV2O6,-8.335943815,-2.47491984,0.0727110003,0.0727110003,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mn-O-V +mp-2219152,MgTiV3O8,-8.5947338669,-2.7238877156,0.128313207,0.128313207,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V +mp-2219144,MgTiV3O8,-8.6084861208,-2.7376399695,0.1145609531,0.1145609531,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V +mp-2219007,MgTiV3O8,-8.6169495531,-2.7461034018,0.1060975208,0.1060975208,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Ti-V +mp-2218194,MgMn2V2O7,-8.400329385,-2.3404174056,0.1160901877,0.1160901877,GGA+U,P1,AB2C7D2_aP12_1_a_2a_7a_2a:Mg-Mn-O-V,12.0,AB2C7D2_aP12_1_a_2a_7a_2a:Mg-Mn-O-V +mp-2218163,MgMn2V2O7,-8.4025759875,-2.3426640081,0.1138435852,0.1138435852,GGA+U,P1,AB2C7D2_aP12_1_a_2a_7a_2a:Mg-Mn-O-V,12.0,AB2C7D2_aP12_1_a_2a_7a_2a:Mg-Mn-O-V +mp-755152,TiMnV4O12,-8.7717532261,-2.5076756637,0.0703316142,0.0703316142,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Mn-O-Ti-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Mn-O-Ti-V, expected TiMnV8O24 to be TiMnV4O12" +mp-2231666,MgTiMnV4O12,-8.5675081205,-2.5488935851,0.1345584637,0.1345584637,GGA+U,C2,ABC12DE4_mC38_5_a_b_6c_a_2c:Mg-Mn-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_a_b_12c_a_4c:Mg-Mn-O-Ti-V, expected MgTiMnV8O24 to be MgTiMnV4O12" +mp-2231994,MgTiMnV4O12,-8.6062546316,-2.5876400961,0.0958119526,0.0958119526,GGA+U,C2,ABC12DE4_mC38_5_a_a_6c_b_2c:Mg-Mn-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_a_a_12c_b_4c:Mg-Mn-O-Ti-V, expected MgTiMnV8O24 to be MgTiMnV4O12" +mp-2226758,MgTiVO4,-8.29640783,-2.8154888326,0.2028200166,0.2028200166,GGA+U,P2,AB4CD_mP7_3_a_2e_c_b:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_mP7_3_b_3e_c_a:Mg-O-Ti-V, expected MgTiVO6 to be MgTiVO4" +mp-2223674,MgTiVO4,-8.3901439329,-2.9092249355,0.1090839138,0.1090839138,GGA+U,C2,AB4CD_mC14_5_a_2c_b_a:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_mC14_5_a_4c_b_a:Mg-O-Ti-V, expected MgTiVO8 to be MgTiVO4" +mp-2227370,MgTiVO4,-8.2954342914,-2.814515294,0.2037935552,0.2037935552,GGA+U,P2/m,AB4CD_mP7_10_a_mn_e_c:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_mP7_10_c_2mn_e_a:Mg-O-Ti-V, expected MgTiVO6 to be MgTiVO4" +mp-2227085,MgTiVO4,-8.2420975043,-2.7611785069,0.2571303423,0.2571303423,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_b_a:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_oC14_38_a_2b2d_b_a:Mg-O-Ti-V, expected MgTiVO6 to be MgTiVO4" +mp-2227158,MgTiVO4,-8.1920245086,-2.7111055112,0.307203338,0.307203338,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Ti-V,7.0,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Ti-V +mp-2223135,MgTiVO4,-8.3614422629,-2.8805232655,0.1377855838,0.1377855838,GGA+U,I-4m2,AB4CD_tI14_119_a_ef_c_b:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_tI14_119_a_2e2f_c_b:Mg-O-Ti-V, expected MgTiVO8 to be MgTiVO4" +mp-2227557,MgTiVO4,-8.3120991286,-2.8311801312,0.187128718,0.187128718,GGA+U,I-4m2,AB4CD_tI14_119_a_ef_b_c:Mg-O-Ti-V,7.0,"Invalid WP multiplicities - AB4CD_tI14_119_a_2e2f_b_c:Mg-O-Ti-V, expected MgTiVO8 to be MgTiVO4" +mp-2230930,MgMnV5O12,-8.5248428263,-2.4436801828,0.0774344988,0.0774344988,GGA+U,P1,ABC12D5_aP19_1_a_a_12a_5a:Mg-Mn-O-V,19.0,ABC12D5_aP19_1_a_a_12a_5a:Mg-Mn-O-V +mp-2231215,MgMnV5O12,-8.4754977168,-2.3943350733,0.1267796083,0.1267796083,GGA+U,C2,ABC12D5_mC38_5_a_b_6c_a2c:Mg-Mn-O-V,19.0,"Invalid WP multiplicities - ABC12D5_mC38_5_a_b_12c_a4c:Mg-Mn-O-V, expected MgMnV9O24 to be MgMnV5O12" +mp-2227435,MgTi2V2O8,-8.7549559723,-2.9755262867,0.1085860209,0.1085860209,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Ti-V,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Ti-V +mp-2241390,MgTi2V2O8,-8.6200916792,-2.8406619936,0.2434503139,0.2434503139,GGA+U,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Ti-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_8_a_4a4b_2a_2a:Mg-O-Ti-V, expected MgTi2V2O12 to be MgTi2V2O8" +mp-1031644,Mg6TiVO8,-6.9343144219,-2.7996526671,0.1634251727,0.1634251727,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Ti-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Ti-V, expected Mg6TiVO12 to be Mg6TiVO8" +mp-1031659,Mg6TiVO8,-6.9633879400000005,-2.8287261852,0.1343516545,0.1343516545,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Ti-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Ti-V, expected Mg6TiVO12 to be Mg6TiVO8" +mp-1234955,CaAl2V4O8,-8.133088644,-2.4393629433,0.3116213176,0.3116213176,GGA+U,C2/m,A2BC8D4_mC30_12_e_b_2ij_acf:Al-Ca-O-V,15.0,"Invalid WP multiplicities - A2BC8D4_mC30_12_f_b_4i4j_ac2e:Al-Ca-O-V, expected CaAl2V6O24 to be CaAl2V4O8" +mp-1519252,CaNdV4O12,-8.3274638278,-2.6347062651,0.1878705436,0.1878705436,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ca-Nd-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ca-Nd-O-V, expected CaNdV4O18 to be CaNdV4O12" +mp-1251643,Ca2AlVO5,-7.7947399394,-3.1753926932,0.0,-0.0007883522,GGA+U,Ima2,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-V,36.0,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-V +mp-1219366,Si12CO24,-8.18506252,-2.9674135761,0.2122933214,0.2122933214,GGA,Cm,AB24C12_mC74_8_a_4a10b_4a4b:C-O-Si,37.0,AB24C12_mC74_8_a_4a10b_4a4b:C-O-Si +mp-1209673,Si4CO13,-6.9664775294000005,-1.6755391484,0.798206233,0.798206233,GGA,C2/m,AB13C4_mC72_12_i_i6j_2j:C-O-Si,36.0,AB13C4_mC72_12_i_i6j_2j:C-O-Si +mp-738361,Si17CO34,-8.222811997,-3.0373026088,0.1678827094,0.1678827094,GGA,Fd-3m,AB34C17_cF416_227_a_efgh_beg:C-O-Si,104.0,AB34C17_cF416_227_a_efgh_beg:C-O-Si +mp-771030,Na3SiNiCO7,-6.6602973669,-2.1196422083,0.0322459551,0.0322459551,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Na-Ni-O-Si,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_2ef_e_9e2f_e:C-Na-Ni-O-Si, expected Na4SiNiCO13 to be Na3SiNiCO7" +mp-1001082,Si(CO)2,-7.213562204,-0.4583569165,1.502462337,1.502462337,GGA,Immm,A2B2C_oI20_71_eg_eg_f:C-O-Si,10.0,"Invalid WP multiplicities - A2B2C_oI20_71_2e2g_e2g_f:C-O-Si, expected SiC4O3 to be Si(CO)2" +mp-770501,Na6SiNi2(CO4)4,-6.797506195,-1.9360432812,0.0626309553,0.0626309553,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Na-Ni-O-Si,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_2eg_b:C-Na-Ni-O-Si, expected Na6SiNi2(CO5)4 to be Na6SiNi2(CO4)4" +mp-1220779,Na5NiCO5,-5.485288244,-1.6223822276000002,0.0571306536,0.0571306536,GGA+U,Pmm2,AB5CD5_oP12_25_a_bef_d_aef:C-Na-Ni-O,48.0,AB5CD5_oP12_25_a_bef_d_aef:C-Na-Ni-O +mp-766484,Li11Mn12(BO3)12,-7.9721967145,-2.4908469977,0.0215009101,0.0215009101,GGA+U,P1,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O,71.0,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O +mp-884044,Li11Mn12(BO3)12,-7.6812280524,-2.1998783356,0.3124695722,0.3124695722,GGA+U,P1,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O,71.0,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O +mp-766526,Li11Mn12(BO3)12,-7.9731611407,-2.4918114239,0.0205364839,0.0205364839,GGA+U,P1,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O,71.0,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O +mp-766525,Li11Mn12(BO3)12,-7.9729658014,-2.4916160846,0.0207318232,0.0207318232,GGA+U,P1,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O,71.0,A12B11C12D36_aP71_1_12a_11a_12a_36a:B-Li-Mn-O +mp-764518,LiFe8(BO3)8,-8.10560284,-2.2074380648,0.0829103682,0.0829103682,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-764566,LiFe8(BO3)8,-8.1015955095,-2.2034307343,0.0869176987,0.0869176987,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-775187,LiFe8(BO3)8,-8.104571211,-2.2064064358,0.0839419972,0.0839419972,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-764478,LiFe8(BO3)8,-8.1048898415,-2.2067250663,0.0836233667,0.0836233667,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-764885,LiFe8(BO3)8,-8.1023001522,-2.204135377,0.086213056,0.086213056,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-849747,LiFe8(BO3)8,-8.1080812556,-2.2099164804,0.0804319526,0.0804319526,GGA+U,P1,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O,41.0,A8B8CD24_aP41_1_8a_8a_a_24a:B-Fe-Li-O +mp-772526,Li6Mn(BO3)3,-6.9759899912000005,-2.4931517698,0.0594329852,0.0594329852,GGA+U,P2_1/c,A3B6CD9_mP76_14_3e_6e_e_9e:B-Li-Mn-O,76.0,"Invalid WP multiplicities - A3B6CD9_mP76_14_9e_23e_e_33e:B-Li-Mn-O, expected Li23Mn(B3O11)3 to be Li6Mn(BO3)3" +mp-766490,Li4Mn2Fe(BO3)4,-7.6689394711,-2.4294796937,0.0673010989,0.0673010989,GGA+U,Pc,A4BC4D2E12_mP46_7_4a_a_4a_2a_12a:B-Fe-Li-Mn-O,46.0,"Invalid WP multiplicities - A4BC4D2E12_mP46_7_8a_a_8a_4a_24a:B-Fe-Li-Mn-O, expected Li8Mn4Fe(BO3)8 to be Li4Mn2Fe(BO3)4" +mp-774299,Li8Mn5Fe3(BO3)8,-7.828050689,-2.4395676419,0.0070549857,0.0070549857,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-774396,Li8Mn5Fe3(BO3)8,-7.8277443175,-2.4392612704,0.0073613572,0.0073613572,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-778882,Li8Mn5Fe3(BO3)8,-7.8263290044,-2.4378459573,0.0087766703,0.0087766703,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-774976,Li8Mn5Fe3(BO3)8,-7.8284900263,-2.4400069792,0.0066156484,0.0066156484,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-778174,Li8Mn5Fe3(BO3)8,-7.8284341077,-2.4399510606,0.006671567,0.006671567,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-779765,Li8Mn5Fe3(BO3)8,-7.8207455819,-2.4322625348,0.0143600928,0.0143600928,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-778477,Li8Mn5Fe3(BO3)8,-7.828215911,-2.439732864,0.0068897636,0.0068897636,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-780292,Li8Mn5Fe3(BO3)8,-7.8210920621,-2.432609015,0.0140136126,0.0140136126,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-780436,Li8Mn5Fe3(BO3)8,-7.8281588573,-2.4396758102,0.0069468174,0.0069468174,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-777962,Li8Mn5Fe3(BO3)8,-7.8220038117,-2.4335207646,0.013101863,0.013101863,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-777765,Li8Mn5Fe3(BO3)8,-7.8299270267,-2.4414439796,0.005178648,0.005178648,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-778302,Li8Mn5Fe3(BO3)8,-7.8306550579,-2.4421720108,0.0044506168,0.0044506168,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-780799,Li8Mn5Fe3(BO3)8,-7.8285067292,-2.4400236821,0.0065989455,0.0065989455,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-774042,Li8Mn5Fe3(BO3)8,-7.8301491279,-2.4416660808,0.0049565468,0.0049565468,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-1176840,Li8Mn5Fe3(BO3)8,-7.8284983565,-2.4400153094,0.0066073182,0.0066073182,GGA+U,P1,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O,48.0,A8B3C8D5E24_aP48_1_8a_3a_8a_5a_24a:B-Fe-Li-Mn-O +mp-774378,Li3Mn2Fe(BO3)3,-7.8438777478,-2.4505891862,0.0036231656,0.0036231656,GGA+U,Pm,A3BC3D2E9_mP36_6_ab2c_2a_3c_a3b_3a3b6c:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_ab2c_2a_3c_a3b_3a3b6c:B-Fe-Li-Mn-O +mp-778859,Li3Mn2Fe(BO3)3,-7.8437319322,-2.4504433707,0.0037689811,0.0037689811,GGA+U,Pm,A3BC3D2E9_mP36_6_ab2c_ab_3c_2a2b_3a3b6c:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_ab2c_ab_3c_2a2b_3a3b6c:B-Fe-Li-Mn-O +mp-778493,Li3Mn2Fe(BO3)3,-7.8431208708,-2.4498323093,0.0043800425,0.0043800425,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-779888,Li3Mn2Fe(BO3)3,-7.8432405275,-2.449951966,0.0042603858,0.0042603858,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-779905,Li3Mn2Fe(BO3)3,-7.843196264699999,-2.4499077032,0.0043046486,0.0043046486,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-780294,Li3Mn2Fe(BO3)3,-7.8434331042,-2.4501445426,0.0040678092,0.0040678092,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-780297,Li3Mn2Fe(BO3)3,-7.8432602064,-2.4499716448,0.0042407069,0.0042407069,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-754791,Li3Mn2Fe(BO3)3,-7.8452525986,-2.4519640371,0.0022483147,0.0022483147,GGA+U,Pm,A3BC3D2E9_mP18_6_a2b_a_3b_2a_3a6b:B-Fe-Li-Mn-O,36.0,"Invalid WP multiplicities - A3BC3D2E9_mP18_6_a2b_a_3b_4a_3a6b:B-Fe-Li-Mn-O, expected Li3Mn4Fe(BO3)3 to be Li3Mn2Fe(BO3)3" +mp-779006,Li3Mn2Fe(BO3)3,-7.8433041136,-2.4500155521,0.0041967997,0.0041967997,GGA+U,Pm,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mP36_6_2a4b_2a_6b_4a_6a12b:B-Fe-Li-Mn-O +mp-779087,Li3Mn2Fe(BO3)3,-7.8437401258,-2.4504515643,0.0037607875,0.0037607875,GGA+U,Cm,A3BC3D2E9_mC72_8_2a2b_2a_3b_4a_6a6b:B-Fe-Li-Mn-O,36.0,A3BC3D2E9_mC72_8_2a2b_2a_3b_4a_6a6b:B-Fe-Li-Mn-O +mp-768289,Li2FeBO4,-7.1551984212,-2.3109467264,0.031153065,0.031153065,GGA+U,Pc,ABC2D4_mP16_7_a_a_2a_4a:B-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mP16_7_a_a_4a_8a:B-Fe-Li-O, expected Li4FeBO8 to be Li2FeBO4" +mp-754063,Li2FeBO4,-7.08769193,-2.2434402351,0.0986595562,0.0986595562,GGA+U,C2/m,ABC2D4_mC32_12_i_g_hi_2ij:B-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mC32_12_i_g_h2i_4ij:B-Fe-Li-O, expected Li3FeBO6 to be Li2FeBO4" +mp-752663,Li2FeBO4,-7.1124777553,-2.2682260604,0.0738737309,0.0738737309,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:B-Fe-Li-O, expected Li3FeBO11 to be Li2FeBO4" +mp-771016,Li2FeBO4,-7.1584653122,-2.3142136173,0.0278861741,0.0278861741,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:B-Fe-Li-O, expected Li3FeBO11 to be Li2FeBO4" +mp-1177958,Li2FeBO4,-7.0991656416,-2.2549139467,0.0871858447,0.0871858447,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_7e:B-Fe-Li-O, expected Li3FeBO7 to be Li2FeBO4" +mp-754097,Li2FeBO4,-7.1486797509,-2.304428056,0.0376717353,0.0376717353,GGA+U,C222_1,ABC2D4_oC32_20_a_b_ab_2c:B-Fe-Li-O,32.0,ABC2D4_oC32_20_a_b_ab_2c:B-Fe-Li-O +mp-777232,Li2FeBO4,-7.1005257577,-2.2562740628,0.0858257286,0.0858257286,GGA+U,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:B-Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2D4_oP64_29_5a_5a_14a_29a:B-Fe-Li-O, expected Li14Fe5B5O29 to be Li2FeBO4" +mp-779250,Li2FeBO4,-7.0962326703,-2.2519809754,0.0901188159,0.0901188159,GGA+U,Pca2_1,ABC2D4_oP64_29_2a_2a_4a_8a:B-Fe-Li-O,64.0,"Invalid WP multiplicities - ABC2D4_oP64_29_5a_5a_16a_31a:B-Fe-Li-O, expected Li16Fe5B5O31 to be Li2FeBO4" +mp-770663,Li2FeBO4,-7.13751513,-2.2932634351,0.0488363562,0.0488363562,GGA+U,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:B-Fe-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oP16_31_a_a_b_4a2b:B-Fe-Li-O, expected Li2FeBO8 to be Li2FeBO4" +mp-768312,Li2FeBO4,-7.1545177703,-2.3102660754,0.0318337159,0.0318337159,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:B-Fe-Li-O, expected Li5FeBO13 to be Li2FeBO4" +mp-779305,Li2FeBO4,-7.1497041644,-2.3054524695,0.0366473219,0.0366473219,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:B-Fe-Li-O, expected Li5FeBO13 to be Li2FeBO4" +mp-768290,Li2FeBO4,-7.1045478606,-2.2602961657,0.0818036256,0.0818036256,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_7c3d:B-Fe-Li-O, expected Li2FeBO13 to be Li2FeBO4" +mp-752412,Li2FeBO4,-7.1342786456,-2.2900269507,0.0520728406,0.0520728406,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Fe-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_6c3d:B-Fe-Li-O, expected Li2FeBO12 to be Li2FeBO4" +mp-1235312,LiMn2(B4O7)2,-8.1868836864,-2.4700145034,0.2439850906,0.2439850906,GGA+U,C2,A8BC2D14_mC50_5_2a2b2c_a_c_7c:B-Li-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_mC50_5_2a2b2c_a_c_10c:B-Li-Mn-O, expected LiMn2(B2O5)4 to be LiMn2(B4O7)2" +mp-1235124,LiMn2(B4O7)2,-8.2390281552,-2.5221589722,0.1918406218,0.1918406218,GGA+U,Pm,A8BC2D14_mP25_6_2a2b2c_a_ab_3a3b4c:B-Li-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_mP25_6_2a2b3c_a_ab_3a3b8c:B-Li-Mn-O, expected LiMn2(B5O11)2 to be LiMn2(B4O7)2" +mp-1236349,LiMn2(B4O7)2,-8.2014252652,-2.4845560822,0.2294435118,0.2294435118,GGA+U,Amm2,A8BC2D14_oC50_38_def_a_ab_abde2f:B-Li-Mn-O,25.0,"Invalid WP multiplicities - A8BC2D14_oC50_38_2d2e2f_a_ab_ab2d2e7f:B-Li-Mn-O, expected LiMn2(B8O19)2 to be LiMn2(B4O7)2" +mp-774173,Li8MnFe7(BO3)8,-7.6795505421,-2.3487336685,0.0068122689,0.0068122689,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-780940,Li8MnFe7(BO3)8,-7.6256257887,-2.2948089152,0.0607370222,0.0607370222,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778754,Li8MnFe7(BO3)8,-7.6852609067,-2.3544440331,0.0011019043,0.0011019043,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778755,Li8MnFe7(BO3)8,-7.6810298577,-2.3502129841,0.0053329532,0.0053329532,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-777438,Li8MnFe7(BO3)8,-7.6822735267,-2.3514566531,0.0040892843,0.0040892843,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778083,Li8MnFe7(BO3)8,-7.6847777958,-2.3539609222,0.0015850151,0.0015850151,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-777802,Li8MnFe7(BO3)8,-7.68496262,-2.3541457464,0.0014001909,0.0014001909,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778004,Li8MnFe7(BO3)8,-7.684314045,-2.3534971714,0.0020487659,0.0020487659,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778203,Li8MnFe7(BO3)8,-7.6816552454,-2.3508383718,0.0047075655,0.0047075655,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-780440,Li8MnFe7(BO3)8,-7.6823059631,-2.3514890895,0.0040568478,0.0040568478,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-778844,Li8MnFe7(BO3)8,-7.6811078113,-2.3502909377,0.0052549997,0.0052549997,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-850260,Li8MnFe7(BO3)8,-7.6808199373,-2.3500030637,0.0055428736,0.0055428736,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-850743,Li8MnFe7(BO3)8,-7.6849507225,-2.3541338489,0.0014120884,0.0014120884,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-1176831,Li8MnFe7(BO3)8,-7.6813760369,-2.3505591633,0.0049867741,0.0049867741,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-1176833,Li8MnFe7(BO3)8,-7.6806002829,-2.3497834093,0.005762528,0.005762528,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-1176836,Li8MnFe7(BO3)8,-7.6851156675,-2.3542987939,0.0012471434,0.0012471434,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-1176839,Li8MnFe7(BO3)8,-7.6853781106,-2.354561237,0.0009847003,0.0009847003,GGA+U,P1,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O,48.0,A8B7C8DE24_aP48_1_8a_7a_8a_a_24a:B-Fe-Li-Mn-O +mp-766512,Li5Fe6(BO3)6,-7.6819420531,-2.268185224,0.0632366441,0.0632366441,GGA+U,Cm,A6B6C5D18_mC70_8_4ab_3b_5a_12a3b:B-Fe-Li-O,35.0,A6B6C5D18_mC70_8_4ab_3b_5a_12a3b:B-Fe-Li-O +mp-766637,Li5Fe6(BO3)6,-7.7240470159,-2.3102901867,0.0211316814,0.0211316814,GGA+U,Cc,A6B6C5D18_mC140_9_6a_6a_5a_18a:B-Fe-Li-O,70.0,"Invalid WP multiplicities - A6B6C5D18_mC140_9_12a_8a_10a_30a:B-Fe-Li-O, expected Li5Fe4(B2O5)3 to be Li5Fe6(BO3)6" +mp-772565,Li2Fe5B3O13,-7.76833126,-2.093849506,0.1035283866,0.1035283866,GGA+U,P2_1/m,A3B5C2D13_mP46_11_3e_5e_2e_13e:B-Fe-Li-O,46.0,"Invalid WP multiplicities - A3B5C2D13_mP46_11_5e_9e_3e_25e:B-Fe-Li-O, expected Li3Fe9(BO5)5 to be Li2Fe5B3O13" +mp-752621,Li3FeB4O9,-7.6062224744,-2.5806603983,0.032024954,0.032024954,GGA+U,P2_1/m,A4BC3D9_mP34_11_2ef_e_ef_3e3f:B-Fe-Li-O,34.0,"Invalid WP multiplicities - A4BC3D9_mP34_11_4ef_e_e2f_6e5f:B-Fe-Li-O, expected Li5Fe(B3O8)2 to be Li3FeB4O9" +mp-778872,Li6Mn5Fe(BO3)6,-7.8953113179,-2.4828006985,0.00177055,0.00177055,GGA+U,P1,A6BC6D5E18_aP72_1_12a_2a_12a_10a_36a:B-Fe-Li-Mn-O,72.0,A6BC6D5E18_aP72_1_12a_2a_12a_10a_36a:B-Fe-Li-Mn-O +mp-774303,Li6Mn5Fe(BO3)6,-7.8938974371,-2.4813868177,0.0031844308,0.0031844308,GGA+U,Pm,A6BC6D5E18_mP72_6_2a2b4c_c_3a3b3c_5c_6a6b12c:B-Fe-Li-Mn-O,72.0,"Invalid WP multiplicities - A6BC6D5E18_mP72_6_2a2b6c_c_3a3b6c_8c_6a6b18c:B-Fe-Li-Mn-O, expected Li9Mn8Fe(BO3)8 to be Li6Mn5Fe(BO3)6" +mp-774362,Li6Mn5Fe(BO3)6,-7.8936125861,-2.4811019667,0.0034692818,0.0034692818,GGA+U,Pm,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O +mp-778476,Li6Mn5Fe(BO3)6,-7.8936574789,-2.4811468595,0.003424389,0.003424389,GGA+U,Pm,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O +mp-778260,Li6Mn5Fe(BO3)6,-7.89391399,-2.4814033706,0.0031678779,0.0031678779,GGA+U,Pm,A6BC6D5E18_mP36_6_ab2c_a_3c_2a3b_3a3b6c:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mP36_6_ab2c_a_3c_2a3b_3a3b6c:B-Fe-Li-Mn-O +mp-779891,Li6Mn5Fe(BO3)6,-7.8936713367,-2.4811607173,0.0034105313,0.0034105313,GGA+U,Pm,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mP36_6_2a4b_a_6b_5a_6a12b:B-Fe-Li-Mn-O +mp-774368,Li6Mn5Fe(BO3)6,-7.8938989956,-2.4813883762,0.0031828724,0.0031828724,GGA+U,Cm,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O +mp-774370,Li6Mn5Fe(BO3)6,-7.8938888706,-2.4813782512,0.0031929974,0.0031929974,GGA+U,Cm,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O +mp-850228,Li6Mn5Fe(BO3)6,-7.8939021861,-2.4813915667,0.0031796818,0.0031796818,GGA+U,Cm,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O,36.0,A6BC6D5E18_mC72_8_2a2b_a_3b_5a_6a6b:B-Fe-Li-Mn-O +mp-768488,Li3Mn(BO2)5,-7.8128390245,-2.6679637688,0.0459089783,0.0459089783,GGA+U,P-1,A5B3CD10_aP38_2_5i_3i_i_10i:B-Li-Mn-O,38.0,"Invalid WP multiplicities - A5B3CD10_aP38_2_9i_5i_i_19i:B-Li-Mn-O, expected Li5MnB9O19 to be Li3Mn(BO2)5" +mp-774377,Li4Mn3Fe(BO3)4,-7.8668814285,-2.4639818381,0.0054099621,0.0054099621,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-781603,Li4Mn3Fe(BO3)4,-7.8667276404,-2.4638280499,0.0055637502,0.0055637502,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-779066,Li4Mn3Fe(BO3)4,-7.8664581971,-2.4635586066,0.0058331935,0.0058331935,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-850958,Li4Mn3Fe(BO3)4,-7.8652096571,-2.4623100666,0.0070817335,0.0070817335,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-754680,Li4Mn3Fe(BO3)4,-7.8650930483,-2.4621934579,0.0071983423,0.0071983423,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-777852,Li4Mn3Fe(BO3)4,-7.8665759402,-2.4636763497,0.0057154504,0.0057154504,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-778866,Li4Mn3Fe(BO3)4,-7.8668603662,-2.4639607758,0.0054310244,0.0054310244,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-777998,Li4Mn3Fe(BO3)4,-7.8651831146,-2.4622835241,0.007108276,0.007108276,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-755626,Li4Mn3Fe(BO3)4,-7.8653308417,-2.4624312512,0.006960549,0.006960549,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-754562,Li4Mn3Fe(BO3)4,-7.86515402,-2.4622544295,0.0071373706,0.0071373706,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-755967,Li4Mn3Fe(BO3)4,-7.8670064996,-2.4641069091,0.005284891,0.005284891,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-777746,Li4Mn3Fe(BO3)4,-7.8666349787,-2.4637353883,0.0056564119,0.0056564119,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-778382,Li4Mn3Fe(BO3)4,-7.8658774344,-2.4629778439,0.0064139562,0.0064139562,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-778265,Li4Mn3Fe(BO3)4,-7.8652975171,-2.4623979266,0.0069938735,0.0069938735,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-779789,Li4Mn3Fe(BO3)4,-7.8649832869,-2.4620836964,0.0073081037,0.0073081037,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-778007,Li4Mn3Fe(BO3)4,-7.8668620242,-2.4639624337,0.0054293665,0.0054293665,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-1177369,Li4Mn3Fe(BO3)4,-7.8652692746,-2.4623696841,0.007022116,0.007022116,GGA+U,P1,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O,24.0,A4BC4D3E12_aP24_1_4a_a_4a_3a_12a:B-Fe-Li-Mn-O +mp-1177397,Li4Mn3Fe(BO3)4,-7.8663654565,-2.463465866,0.0059259342,0.0059259342,GGA+U,P1,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O,48.0,A4BC4D3E12_aP48_1_8a_2a_8a_6a_24a:B-Fe-Li-Mn-O +mp-777429,Li4Mn3Fe(BO3)4,-7.8655000302,-2.4626004397,0.0067913604,0.0067913604,GGA+U,P-1,A4BC4D3E12_aP48_2_4i_i_4i_3i_12i:B-Fe-Li-Mn-O,48.0,"Invalid WP multiplicities - A4BC4D3E12_aP48_2_8i_i_4i_5i_22i:B-Fe-Li-Mn-O, expected Li4Mn5Fe(B4O11)2 to be Li4Mn3Fe(BO3)4" +mp-775239,Li4Mn3Fe(BO3)4,-7.8653505419,-2.4624509514,0.0069408488,0.0069408488,GGA+U,P-1,A4BC4D3E12_aP48_2_4i_i_4i_3i_12i:B-Fe-Li-Mn-O,48.0,"Invalid WP multiplicities - A4BC4D3E12_aP48_2_7i_i_8i_4i_23i:B-Fe-Li-Mn-O, expected Li8Mn4FeB7O23 to be Li4Mn3Fe(BO3)4" +mp-770764,Li2Fe(BO2)5,-7.9310938765,-2.6448876037,0.0195354026,0.0195354026,GGA+U,P2_1/c,A5BC2D10_mP72_14_5e_e_2e_10e:B-Fe-Li-O,72.0,"Invalid WP multiplicities - A5BC2D10_mP72_14_9e_e_3e_27e:B-Fe-Li-O, expected Li3Fe(BO3)9 to be Li2Fe(BO2)5" +mp-759292,Li2Fe3(BO3)3,-7.5126024474,-1.9957622663,0.3342250051,0.3342250051,GGA+U,Pm,A3B3C2D9_mP34_6_2a2bc_3c_2a2b_6a6b3c:B-Fe-Li-O,34.0,A3B3C2D9_mP34_6_2a2bc_3c_2a2b_6a6b3c:B-Fe-Li-O +mp-777343,Li5Fe8(BO3)8,-7.8256059167,-2.2820404222,0.0468601201,0.0468601201,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764507,Li5Fe8(BO3)8,-7.8277630471,-2.2841975527,0.0447029897,0.0447029897,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764512,Li5Fe8(BO3)8,-7.8185385107,-2.2749730162,0.0539275261,0.0539275261,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764528,Li5Fe8(BO3)8,-7.8258924982,-2.2823270038,0.0465735385,0.0465735385,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-760243,Li5Fe8(BO3)8,-7.8260108524,-2.282445358,0.0464551843,0.0464551843,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-760279,Li5Fe8(BO3)8,-7.8271664509,-2.2836009564,0.0452995859,0.0452995859,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764542,Li5Fe8(BO3)8,-7.8258355458,-2.2822700513,0.046630491,0.046630491,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761227,Li5Fe8(BO3)8,-7.8314964327,-2.2879309382,0.0409696041,0.0409696041,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764554,Li5Fe8(BO3)8,-7.830010728199999,-2.2864452338,0.0424553085,0.0424553085,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-759129,Li5Fe8(BO3)8,-7.8278984091,-2.2843329147,0.0445676277,0.0445676277,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-759860,Li5Fe8(BO3)8,-7.8269317602,-2.2833662658,0.0455342765,0.0455342765,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-760268,Li5Fe8(BO3)8,-7.8311141904,-2.287548696,0.0413518463,0.0413518463,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-760254,Li5Fe8(BO3)8,-7.8291868127,-2.2856213182,0.0432792241,0.0432792241,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764643,Li5Fe8(BO3)8,-7.8249220089,-2.2813565144,0.0475440279,0.0475440279,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764654,Li5Fe8(BO3)8,-7.8315200918,-2.2879545973,0.040945945,0.040945945,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761243,Li5Fe8(BO3)8,-7.8292773929,-2.2857118984,0.0431886439,0.0431886439,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761253,Li5Fe8(BO3)8,-7.8273062547,-2.2837407602,0.0451597821,0.0451597821,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-849589,Li5Fe8(BO3)8,-7.8307552171,-2.2871897227,0.0417108197,0.0417108197,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-849632,Li5Fe8(BO3)8,-7.8321564778,-2.2885909833,0.040309559,0.040309559,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-777373,Li5Fe8(BO3)8,-7.8321559424,-2.288590448,0.0403100943,0.0403100943,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-766603,Li5Fe8(BO3)8,-7.8154462256,-2.2718807311,0.0570198112,0.0570198112,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-774994,Li5Fe8(BO3)8,-7.827331598,-2.2837661036,0.0451344388,0.0451344388,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-775280,Li5Fe8(BO3)8,-7.826988852699999,-2.2834233582,0.0454771841,0.0454771841,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-775322,Li5Fe8(BO3)8,-7.8248004291,-2.2812349347,0.0476656077,0.0476656077,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761194,Li5Fe8(BO3)8,-7.8260482587,-2.2824827642,0.0464177781,0.0464177781,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761198,Li5Fe8(BO3)8,-7.835401012,-2.2918355176,0.0370650248,0.0370650248,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-759159,Li5Fe8(BO3)8,-7.8248621344,-2.28129664,0.0476039023,0.0476039023,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764798,Li5Fe8(BO3)8,-7.8300970198,-2.2865315253,0.042369017,0.042369017,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-758860,Li5Fe8(BO3)8,-7.8266084238,-2.2830429293,0.045857613,0.045857613,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-757792,Li5Fe8(BO3)8,-7.8319637578,-2.2883982633,0.040502279,0.040502279,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761242,Li5Fe8(BO3)8,-7.824157582,-2.2805920876,0.0483084548,0.0483084548,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-761278,Li5Fe8(BO3)8,-7.8271173907,-2.2835518962,0.0453486461,0.0453486461,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-764891,Li5Fe8(BO3)8,-7.8293314402,-2.2857659458,0.0431345965,0.0431345965,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-1177118,Li5Fe8(BO3)8,-7.8291803178,-2.2856148233,0.043285719,0.043285719,GGA+U,P1,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O,45.0,A8B8C5D24_aP45_1_8a_8a_5a_24a:B-Fe-Li-O +mp-770903,Li3Mn(BO3)2,-7.3404655231,-2.5131572147,0.0327626144,0.0327626144,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Mn-O,48.0,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Mn-O +mp-770904,Li3Mn(BO3)2,-7.348551997499999,-2.5212436891000003,0.02467614,0.02467614,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Mn-O,48.0,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Mn-O +mp-768418,Li3Mn(BO3)2,-7.3125688279,-2.4852605195,0.0606593096,0.0606593096,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_7e_9e_e_21e:B-Li-Mn-O, expected Li9Mn(BO3)7 to be Li3Mn(BO3)2" +mp-768487,Li3Mn(BO3)2,-7.2812971338,-2.4539888253,0.0919310037,0.0919310037,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_5e_9e_e_21e:B-Li-Mn-O, expected Li9MnB5O21 to be Li3Mn(BO3)2" +mp-770906,Li3Mn(BO3)2,-7.3439993404,-2.516691032,0.0292287971,0.0292287971,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_3e_11e_e_19e:B-Li-Mn-O, expected Li11MnB3O19 to be Li3Mn(BO3)2" +mp-770910,Li3Mn(BO3)2,-7.3607766863,-2.5334683778,0.0124514512,0.0124514512,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_7e_11e_e_21e:B-Li-Mn-O, expected Li11Mn(BO3)7 to be Li3Mn(BO3)2" +mp-766500,Li5Mn3(BO3)4,-7.6261754712,-2.4966549784,0.0337700087,0.0337700087,GGA+U,Pc,A4B5C3D12_mP48_7_4a_5a_3a_12a:B-Li-Mn-O,48.0,A4B5C3D12_mP48_7_8a_10a_6a_24a:B-Li-Mn-O +mp-779057,Li2Fe2B2O7,-7.5589430767,-2.2709821018,0.0711938329,0.0711938329,GGA+U,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Fe-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_5e_5e_5e_25e:B-Fe-Li-O, expected LiFeBO5 to be Li2Fe2B2O7" +mp-766497,Li3Fe3(BO3)4,-7.6465067823,-2.3185675164,0.0884745124,0.0884745124,GGA+U,Pc,A4B3C3D12_mP44_7_4a_3a_3a_12a:B-Fe-Li-O,44.0,A4B3C3D12_mP44_7_8a_6a_6a_24a:B-Fe-Li-O +mp-779068,Li3MnB6O13,-7.7187104259,-2.5329674796,0.087700487,0.087700487,GGA+U,P2_12_12_1,A6B3CD13_oP92_19_6a_3a_a_13a:B-Li-Mn-O,92.0,"Invalid WP multiplicities - A6B3CD13_oP92_19_21a_9a_a_49a:B-Li-Mn-O, expected Li9Mn(B3O7)7 to be Li3MnB6O13" +mp-774189,Li8Mn7Fe(BO3)8,-7.9028020898,-2.4854859559,0.0066750168,0.0066750168,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777357,Li8Mn7Fe(BO3)8,-7.902126821,-2.4848106872,0.0073502855,0.0073502855,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778721,Li8Mn7Fe(BO3)8,-7.9028538117,-2.4855376778,0.0066232949,0.0066232949,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777729,Li8Mn7Fe(BO3)8,-7.9029305327,-2.4856143989,0.0065465739,0.0065465739,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778495,Li8Mn7Fe(BO3)8,-7.9028867433,-2.4855706095,0.0065903632,0.0065903632,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-779074,Li8Mn7Fe(BO3)8,-7.9017297763,-2.4844136424,0.0077473303,0.0077473303,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777792,Li8Mn7Fe(BO3)8,-7.9027845992,-2.4854684653,0.0066925074,0.0066925074,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777788,Li8Mn7Fe(BO3)8,-7.9029392388,-2.4856231049,0.0065378678,0.0065378678,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777649,Li8Mn7Fe(BO3)8,-7.9020832948,-2.4847671609,0.0073938118,0.0073938118,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777727,Li8Mn7Fe(BO3)8,-7.902800895,-2.4854847612,0.0066762116,0.0066762116,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777795,Li8Mn7Fe(BO3)8,-7.9021334358,-2.484817302,0.0073436707,0.0073436707,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-777768,Li8Mn7Fe(BO3)8,-7.9021274252,-2.4848112914,0.0073496814,0.0073496814,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778135,Li8Mn7Fe(BO3)8,-7.9020326648,-2.4847165309,0.0074444418,0.0074444418,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778272,Li8Mn7Fe(BO3)8,-7.9020668229,-2.4847506891,0.0074102836,0.0074102836,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778205,Li8Mn7Fe(BO3)8,-7.9016226621,-2.4843065282,0.0078544445,0.0078544445,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-778297,Li8Mn7Fe(BO3)8,-7.9029974165,-2.4856812826,0.0064796901,0.0064796901,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-775268,Li8Mn7Fe(BO3)8,-7.9030552512,-2.4857391174,0.0064218553,0.0064218553,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-780298,Li8Mn7Fe(BO3)8,-7.9029644465,-2.4856483126,0.0065126601,0.0065126601,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-850226,Li8Mn7Fe(BO3)8,-7.9019133475,-2.4845972137,0.0075637591,0.0075637591,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-779520,Li8Mn7Fe(BO3)8,-7.9020579427,-2.4847418089,0.0074191639,0.0074191639,GGA+U,P1,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O,48.0,A8BC8D7E24_aP48_1_8a_a_8a_7a_24a:B-Fe-Li-Mn-O +mp-1222860,Li7Mn(BO3)3,-6.8943425189,-2.5402000653,0.0034701269,0.0034701269,GGA+U,P-1,A3B7CD9_aP80_2_6i_14i_2i_18i:B-Li-Mn-O,80.0,A3B7CD9_aP80_2_6i_14i_2i_18i:B-Li-Mn-O +mp-754416,Li4Mn(BO3)2,-7.1286044413,-2.5257873207,0.0112505529,0.0112505529,GGA+U,Pnnm,A2B4CD6_oP26_58_g_2g_a_3g:B-Li-Mn-O,52.0,A2B4CD6_oP26_58_g_2g_a_3g:B-Li-Mn-O +mp-759537,LiFe2(BO3)2,-7.8938181016,-2.2676470929,0.0578944684,0.0578944684,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764508,LiFe2(BO3)2,-7.89272142,-2.2665504113,0.0589911499,0.0589911499,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764519,LiFe2(BO3)2,-7.88953439,-2.2633633813,0.0621781799,0.0621781799,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761224,LiFe2(BO3)2,-7.8918498023,-2.2656787936,0.0598627677,0.0598627677,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764547,LiFe2(BO3)2,-7.8949532411,-2.2687822324,0.0567593288,0.0567593288,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760280,LiFe2(BO3)2,-7.892242429499999,-2.2660714208,0.0594701404,0.0594701404,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764552,LiFe2(BO3)2,-7.9043160014,-2.2781449927,0.0473965686,0.0473965686,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761231,LiFe2(BO3)2,-7.9009993311,-2.2748283224,0.0507132388,0.0507132388,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764573,LiFe2(BO3)2,-7.8956837348,-2.2695127261,0.0560288352,0.0560288352,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764587,LiFe2(BO3)2,-7.8921764182,-2.2660054095,0.0595361518,0.0595361518,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764589,LiFe2(BO3)2,-7.895782547,-2.2696115383,0.0559300229,0.0559300229,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761221,LiFe2(BO3)2,-7.891976642,-2.2658056333,0.0597359279,0.0597359279,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760257,LiFe2(BO3)2,-7.886462195,-2.2602911863,0.0652503749,0.0652503749,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764612,LiFe2(BO3)2,-7.8945248977,-2.268353889,0.0571876722,0.0571876722,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760275,LiFe2(BO3)2,-7.8899048457,-2.263733837,0.0618077243,0.0618077243,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764624,LiFe2(BO3)2,-7.8981918761,-2.2720208674,0.0535206938,0.0535206938,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760310,LiFe2(BO3)2,-7.8861553366,-2.2599843279,0.0655572334,0.0655572334,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764651,LiFe2(BO3)2,-7.8937591266,-2.2675881179,0.0579534434,0.0579534434,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764652,LiFe2(BO3)2,-7.893627018,-2.2674560092,0.058085552,0.058085552,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761244,LiFe2(BO3)2,-7.9026036402,-2.2764326315,0.0491089297,0.0491089297,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760281,LiFe2(BO3)2,-7.8933534916,-2.2671824829,0.0583590784,0.0583590784,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-758730,LiFe2(BO3)2,-7.8933500852,-2.2671790765,0.0583624847,0.0583624847,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760284,LiFe2(BO3)2,-7.9005748364,-2.2744038277,0.0511377336,0.0511377336,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764679,LiFe2(BO3)2,-7.8924481636,-2.2662771549,0.0592644063,0.0592644063,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761226,LiFe2(BO3)2,-7.8951909468,-2.2690199381,0.0565216231,0.0565216231,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764702,LiFe2(BO3)2,-7.8934039786,-2.2672329699,0.0583085913,0.0583085913,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761230,LiFe2(BO3)2,-7.890063238,-2.2638922292,0.061649332,0.061649332,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764720,LiFe2(BO3)2,-7.9052097691,-2.2790387604,0.0465028009,0.0465028009,GGA+U,P1,A2B2CD6_aP22_1_4a_4a_2a_12a:B-Fe-Li-O,22.0,A2B2CD6_aP22_1_4a_4a_2a_12a:B-Fe-Li-O +mp-760352,LiFe2(BO3)2,-7.889541238,-2.2633702292,0.062171332,0.062171332,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-849590,LiFe2(BO3)2,-7.8951220277,-2.268951019,0.0565905422,0.0565905422,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-849617,LiFe2(BO3)2,-7.8945727511,-2.2684017424,0.0571398188,0.0571398188,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759895,LiFe2(BO3)2,-7.8890452184,-2.2628742097,0.0626673515,0.0626673515,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-766625,LiFe2(BO3)2,-7.8845035232,-2.2583325145,0.0672090468,0.0672090468,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-775238,LiFe2(BO3)2,-7.8945771636,-2.2684061549,0.0571354063,0.0571354063,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-767427,LiFe2(BO3)2,-7.8916901234,-2.2655191147,0.0600224465,0.0600224465,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761192,LiFe2(BO3)2,-7.8974762859,-2.2713052772,0.054236284,0.054236284,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764465,LiFe2(BO3)2,-7.9003701439,-2.2741991352,0.0513424261,0.0513424261,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759474,LiFe2(BO3)2,-7.8896249257,-2.263453917,0.0620876443,0.0620876443,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759397,LiFe2(BO3)2,-7.8951136323,-2.2689426236,0.0565989377,0.0565989377,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759371,LiFe2(BO3)2,-7.8870913918,-2.2609203831,0.0646211781,0.0646211781,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761207,LiFe2(BO3)2,-7.8956286427,-2.269457634,0.0560839272,0.0560839272,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760227,LiFe2(BO3)2,-7.8874818314,-2.2613108227,0.0642307386,0.0642307386,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-760248,LiFe2(BO3)2,-7.8797483264,-2.2535773177,0.0719642436,0.0719642436,GGA+U,P1,A2B2CD6_aP22_1_4a_4a_2a_12a:B-Fe-Li-O,22.0,A2B2CD6_aP22_1_4a_4a_2a_12a:B-Fe-Li-O +mp-764799,LiFe2(BO3)2,-7.8920153866,-2.2658443779,0.0596971834,0.0596971834,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-758705,LiFe2(BO3)2,-7.8772605005,-2.2510894917,0.0744520695,0.0744520695,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-761277,LiFe2(BO3)2,-7.8918017889,-2.2656307802,0.0599107811,0.0599107811,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-764514,LiFe2(BO3)2,-7.8881971023,-2.2620260936,0.0635154677,0.0635154677,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-758691,LiFe2(BO3)2,-7.8918515655,-2.2656805567,0.0598610045,0.0598610045,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759237,LiFe2(BO3)2,-7.8845216482,-2.2583506395,0.0671909218,0.0671909218,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-776909,LiFe2(BO3)2,-7.8928453523,-2.2666743436,0.0588672177,0.0588672177,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-759622,LiFe2(BO3)2,-7.8979382111,-2.2717672024,0.0537743588,0.0537743588,GGA+U,P1,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O,44.0,A2B2CD6_aP44_1_8a_8a_4a_24a:B-Fe-Li-O +mp-753072,LiFe2(BO3)2,-7.9041351109,-2.2779641022,0.047577459,0.047577459,GGA+U,Cc,A2B2CD6_mC44_9_2a_2a_a_6a:B-Fe-Li-O,22.0,"Invalid WP multiplicities - A2B2CD6_mC44_9_2a_2a_a_8a:B-Fe-Li-O, expected LiFe2(BO4)2 to be LiFe2(BO3)2" +mp-764505,LiFe2(BO3)2,-7.8924377884,-2.2662667797,0.0592747815,0.0592747815,GGA+U,Pc,A2B2CD6_mP44_7_4a_4a_2a_12a:B-Fe-Li-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_7_6a_6a_2a_20a:B-Fe-Li-O, expected LiFe3B3O10 to be LiFe2(BO3)2" +mp-764559,LiFe2(BO3)2,-7.8911149498,-2.2649439411,0.0605976202,0.0605976202,GGA+U,Pc,A2B2CD6_mP44_7_4a_4a_2a_12a:B-Fe-Li-O,44.0,A2B2CD6_mP44_7_8a_8a_4a_24a:B-Fe-Li-O +mp-775269,LiFe2(BO3)2,-7.9021273823,-2.2759563736,0.0495851877,0.0495851877,GGA+U,Pc,A2B2CD6_mP44_7_4a_4a_2a_12a:B-Fe-Li-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_7_8a_8a_3a_24a:B-Fe-Li-O, expected Li3Fe8(BO3)8 to be LiFe2(BO3)2" +mp-764904,LiFe2(BO3)2,-7.9063222302,-2.2801512215,0.0453903397,0.0453903397,GGA+U,Pc,A2B2CD6_mP44_7_4a_4a_2a_12a:B-Fe-Li-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_7_6a_6a_3a_20a:B-Fe-Li-O, expected Li3Fe6(B3O10)2 to be LiFe2(BO3)2" +mp-768236,LiFeB2O5,-7.8309431758,-2.4452574898,0.0554800085,0.0554800085,GGA+U,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Fe-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Fe-Li-O, expected LiFeB3O19 to be LiFeB2O5" +mp-776600,LiFeB2O5,-7.7993879089,-2.4137022228,0.0870352754,0.0870352754,GGA+U,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Fe-Li-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_7e_7e_3e_39e:B-Fe-Li-O, expected Li3Fe7B7O39 to be LiFeB2O5" +mp-752712,LiFeB2O5,-7.7914301922,-2.4057445062,0.0949929921,0.0949929921,GGA+U,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Fe-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_13e:B-Fe-Li-O, expected LiFeB3O13 to be LiFeB2O5" +mp-774231,LiFeB2O5,-7.8442625217,-2.4585768356,0.0421606626,0.0421606626,GGA+U,C2/c,A2BCD5_mC72_15_2f_f_2e_5f:B-Fe-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_f_3e_17f:B-Fe-Li-O, expected Li3Fe2(B7O17)2 to be LiFeB2O5" +mp-768429,LiMnB2O5,-7.9731725139,-2.5105985965,0.075369038,0.075369038,GGA+U,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Li-Mn-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_7e_3e_7e_39e:B-Li-Mn-O, expected Li3Mn7B7O39 to be LiMnB2O5" +mp-768442,LiMnB2O5,-8.0066414147,-2.5440674973,0.0419001372,0.0419001372,GGA+U,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Li-Mn-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Li-Mn-O, expected LiMnB3O19 to be LiMnB2O5" +mp-771303,LiMnB2O5,-7.9610140186,-2.4984401012,0.0875275333,0.0875275333,GGA+U,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Li-Mn-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Li-Mn-O, expected LiMnB3O19 to be LiMnB2O5" +mp-773205,LiMnB2O5,-7.9597194406,-2.4971455231,0.0888221114,0.0888221114,GGA+U,C2/c,A2BCD5_mC72_15_2f_2e_f_5f:B-Li-Mn-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_3e_f_17f:B-Li-Mn-O, expected Li3Mn2(B7O17)2 to be LiMnB2O5" +mp-766508,Li5Mn2Fe(BO3)4,-7.5551455531,-2.454458147,0.0438925001,0.0438925001,GGA+U,Pc,A4BC5D2E12_mP48_7_4a_a_5a_2a_12a:B-Fe-Li-Mn-O,48.0,"Invalid WP multiplicities - A4BC5D2E12_mP48_7_8a_a_10a_4a_24a:B-Fe-Li-Mn-O, expected Li10Mn4Fe(BO3)8 to be Li5Mn2Fe(BO3)4" +mp-766514,Li4Fe3(BO3)4,-7.5424646761,-2.3631782972,0.0454936373,0.0454936373,GGA+U,Pc,A4B3C4D12_mP46_7_4a_3a_4a_12a:B-Fe-Li-O,46.0,A4B3C4D12_mP46_7_8a_6a_8a_24a:B-Fe-Li-O +mp-776554,LiFeBO4,-7.328923155,-2.0653387704,0.1112701909,0.1112701909,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:B-Fe-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_a_c_7c2d:B-Fe-Li-O, expected LiFeBO11 to be LiFeBO4" +mp-766499,Li4Mn3(BO3)4,-7.7436535067,-2.4741070302,0.0552834424,0.0552834424,GGA+U,Pc,A4B4C3D12_mP46_7_4a_4a_3a_12a:B-Li-Mn-O,46.0,A4B4C3D12_mP46_7_8a_8a_6a_24a:B-Li-Mn-O +mp-849269,Li3Mn4(BO3)4,-8.0520844257,-2.4671861045,0.039772786,0.039772786,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-754552,Li3Mn4(BO3)4,-8.0546896343,-2.4697913132,0.0371675773,0.0371675773,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-851091,Li3Mn4(BO3)4,-8.0466305761,-2.4617322549,0.0452266355,0.0452266355,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-778832,Li3Mn4(BO3)4,-8.0519315591,-2.467033238,0.0399256525,0.0399256525,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-780105,Li3Mn4(BO3)4,-8.0441990165,-2.4593006954,0.0476581951,0.0476581951,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-778856,Li3Mn4(BO3)4,-8.0517260333,-2.4668277121,0.0401311783,0.0401311783,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-778867,Li3Mn4(BO3)4,-8.04911291,-2.4642145888,0.0427443016,0.0427443016,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-779341,Li3Mn4(BO3)4,-8.0531239117,-2.4682255906,0.0387332999,0.0387332999,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-780136,Li3Mn4(BO3)4,-8.0474625722,-2.462564251,0.0443946394,0.0443946394,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-780182,Li3Mn4(BO3)4,-8.0528840684,-2.4679857472,0.0389731432,0.0389731432,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-780180,Li3Mn4(BO3)4,-8.0528832296,-2.4679849084,0.038973982,0.038973982,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-780509,Li3Mn4(BO3)4,-8.0505241539,-2.4656258328,0.0413330577,0.0413330577,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-781079,Li3Mn4(BO3)4,-8.0538338386,-2.4689355174,0.0380233731,0.0380233731,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-781598,Li3Mn4(BO3)4,-8.0504759948,-2.4655776736,0.0413812168,0.0413812168,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-781619,Li3Mn4(BO3)4,-8.0534121228,-2.4685138016,0.0384450889,0.0384450889,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-776982,Li3Mn4(BO3)4,-8.0550131309,-2.4701148097,0.0368440807,0.0368440807,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-780668,Li3Mn4(BO3)4,-8.0532125778,-2.4683142567000003,0.0386446338,0.0386446338,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-776994,Li3Mn4(BO3)4,-8.0582114177,-2.4733130965,0.0336457939,0.0336457939,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-777271,Li3Mn4(BO3)4,-8.0488654894,-2.4639671683,0.0429917222,0.0429917222,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-777301,Li3Mn4(BO3)4,-8.0479407062,-2.4630423851,0.0439165054,0.0439165054,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-775182,Li3Mn4(BO3)4,-8.0495542285,-2.4646559073,0.0423029831,0.0423029831,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-781957,Li3Mn4(BO3)4,-8.0495849198,-2.4646865986,0.0422722918,0.0422722918,GGA+U,P1,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O,46.0,A4B3C4D12_aP46_1_8a_6a_8a_24a:B-Li-Mn-O +mp-776472,Li3Mn4(BO3)4,-8.0473357948,-2.4624374736,0.0445214168,0.0445214168,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-776517,Li3Mn4(BO3)4,-8.0448551822,-2.459956861,0.0470020294,0.0470020294,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-1344419,Li3Mn4(BO3)4,-6.8551317422,-1.270233421,1.2367254694,1.2367254694,GGA+U,P1,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O,23.0,A4B3C4D12_aP23_1_4a_3a_4a_12a:B-Li-Mn-O +mp-776634,Li3Mn4(BO3)4,-8.0555655594,-2.4706672383,0.0362916522,0.0362916522,GGA+U,P1,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O,69.0,A4B3C4D12_aP69_1_12a_9a_12a_36a:B-Li-Mn-O +mp-780655,Li3Mn4(BO3)4,-8.0459085448,-2.4610102236,0.0459486668,0.0459486668,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_3i_8i_24i:B-Li-Mn-O, expected Li3Mn8(BO3)8 to be Li3Mn4(BO3)4" +mp-780669,Li3Mn4(BO3)4,-8.0470326015,-2.4621342804,0.0448246101,0.0448246101,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-780674,Li3Mn4(BO3)4,-8.0463399076,-2.4614415865,0.045517304,0.045517304,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-849225,Li3Mn4(BO3)4,-8.0447877567,-2.4598894356,0.0470694549,0.0470694549,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_6i_6i_24i:B-Li-Mn-O, expected Li3Mn3(BO3)4 to be Li3Mn4(BO3)4" +mp-780571,Li3Mn4(BO3)4,-8.0544991972,-2.469600876,0.0373580144,0.0373580144,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-850786,Li3Mn4(BO3)4,-8.0469398828,-2.4620415617,0.0449173288,0.0449173288,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_5i_8i_22i:B-Li-Mn-O, expected Li5Mn8(B4O11)2 to be Li3Mn4(BO3)4" +mp-780137,Li3Mn4(BO3)4,-8.055027092,-2.4701287708,0.0368301197,0.0368301197,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_6i_7i_24i:B-Li-Mn-O, expected Li6Mn7(BO3)8 to be Li3Mn4(BO3)4" +mp-780194,Li3Mn4(BO3)4,-8.0445991493,-2.4597008282,0.0472580623,0.0472580623,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-780529,Li3Mn4(BO3)4,-8.0495464287,-2.4646481075,0.0423107829,0.0423107829,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_4i_7i_23i:B-Li-Mn-O, expected Li4Mn7B7O23 to be Li3Mn4(BO3)4" +mp-780335,Li3Mn4(BO3)4,-8.0479907411,-2.4630924199,0.0438664705,0.0438664705,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_4i_7i_24i:B-Li-Mn-O, expected Li4Mn7B7O24 to be Li3Mn4(BO3)4" +mp-780850,Li3Mn4(BO3)4,-8.052042668,-2.4671443469,0.0398145436,0.0398145436,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_4i_8i_24i:B-Li-Mn-O, expected LiMn2(BO3)2 to be Li3Mn4(BO3)4" +mp-781610,Li3Mn4(BO3)4,-8.0542686426,-2.4693703215,0.037588569,0.037588569,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-780659,Li3Mn4(BO3)4,-8.0455885917,-2.4606902706,0.0462686199,0.0462686199,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_8i_5i_6i_24i:B-Li-Mn-O, expected Li5Mn6(BO3)8 to be Li3Mn4(BO3)4" +mp-849264,Li3Mn4(BO3)4,-8.0469513617,-2.4620530406,0.0449058499,0.0449058499,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_6i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B6O23 to be Li3Mn4(BO3)4" +mp-1177638,Li3Mn4(BO3)4,-8.0474458813,-2.4625475601,0.0444113303,0.0444113303,GGA+U,P-1,A4B3C4D12_aP46_2_4i_3i_4i_12i:B-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B3C4D12_aP46_2_7i_5i_7i_23i:B-Li-Mn-O, expected Li5Mn7B7O23 to be Li3Mn4(BO3)4" +mp-779299,Li3Mn4(BO3)4,-8.0468526926,-2.4619543715,0.045004519,0.045004519,GGA+U,Pc,A4B3C4D12_mP46_7_4a_3a_4a_12a:B-Li-Mn-O,46.0,A4B3C4D12_mP46_7_8a_6a_8a_24a:B-Li-Mn-O +mp-777353,Li3MnB8O15,-7.9419284489,-2.6632525701,0.0822556119,0.0822556119,GGA+U,P2_1/c,A8B3CD15_mP108_14_8e_3e_e_15e:B-Li-Mn-O,108.0,"Invalid WP multiplicities - A8B3CD15_mP108_14_19e_9e_e_53e:B-Li-Mn-O, expected Li9MnB19O53 to be Li3MnB8O15" +mp-772440,Li2Mn(BO2)5,-7.9800857431,-2.6554353546,0.0518629249,0.0518629249,GGA+U,P2_1/c,A5B2CD10_mP72_14_5e_2e_e_10e:B-Li-Mn-O,72.0,"Invalid WP multiplicities - A5B2CD10_mP72_14_9e_3e_e_27e:B-Li-Mn-O, expected Li3Mn(BO3)9 to be Li2Mn(BO2)5" +mp-778884,LiFeBO3,-7.5987603135,-2.2823599833,0.0504167815,0.0374429869,GGA+U,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Fe-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Fe-Li-O +mp-753902,LiFeBO3,-7.6465201467,-2.3301198165,0.0026569483,-0.0103168462,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:B-Fe-Li-O,12.0,ABCD3_aP12_2_i_i_i_3i:B-Fe-Li-O +mp-1291335,LiFeBO3,-7.6435307928,-2.3271304626,0.0056463022,-0.0073274924,GGA+U,Cm,ABCD3_mC72_8_2a2b_6a_3b_6a6b:B-Fe-Li-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Fe-Li-O +mp-777049,LiFeBO3,-7.649177095,-2.3327767648,0.0,-0.0129737946,GGA+U,Cc,ABCD3_mC48_9_2a_2a_2a_6a:B-Fe-Li-O,24.0,ABCD3_mC48_9_2a_2a_2a_6a:B-Fe-Li-O +mp-783910,LiFeBO3,-7.6491343105,-2.3327339803,4.27845e-05,-0.0129310101,GGA+U,P2_1/c,ABCD3_mP96_14_4e_4e_4e_12e:B-Fe-Li-O,96.0,"Invalid WP multiplicities - ABCD3_mP96_14_6e_6e_6e_22e:B-Fe-Li-O, expected Li3Fe3B3O11 to be LiFeBO3" +mp-753697,LiFeBO3,-7.5995579429,-2.2831576127,0.0496191521,0.0366453575,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O +mp-756421,LiFeBO3,-7.5649390296,-2.2485386994,0.0842380654,0.0712642708,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O +mp-779311,LiFeBO3,-7.5951146558,-2.2787143256,0.0540624392,0.0410886446,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Fe-Li-O +mp-756664,LiFeBO3,-7.6434615589,-2.3270612287,0.0057155361,-0.0072582585,GGA+U,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Fe-Li-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Fe-Li-O +mp-756046,LiFeBO3,-7.6015408653,-2.2851405351,0.0476362297,0.0346624351,GGA+U,P-6,ABCD3_hP18_174_acf_j_k_2jk:B-Fe-Li-O,36.0,ABCD3_hP18_174_acf_j_k_2jk:B-Fe-Li-O +mp-756059,LiMn4(BO3)4,-8.3151955538,-2.3802043322,0.0983096673,0.0983096673,GGA+U,P1,A4BC4D12_aP21_1_4a_a_4a_12a:B-Li-Mn-O,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:B-Li-Mn-O +mp-1344863,LiMn4(BO3)4,-7.0674546076,-1.132463386,1.3460506135,1.3460506135,GGA+U,P1,A4BC4D12_aP21_1_4a_a_4a_12a:B-Li-Mn-O,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:B-Li-Mn-O +mp-850920,LiMn4(BO3)4,-8.31709411,-2.3821028884,0.0964111111,0.0964111111,GGA+U,P-1,A4BC4D12_aP42_2_4i_i_4i_12i:B-Li-Mn-O,42.0,"Invalid WP multiplicities - A4BC4D12_aP42_2_8i_i_6i_24i:B-Li-Mn-O, expected LiMn6(BO3)8 to be LiMn4(BO3)4" +mp-850362,Li4MnFe3(BO3)4,-7.7184125525,-2.3731791355,0.0051359744,0.0051359744,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-778398,Li4MnFe3(BO3)4,-7.7212495781,-2.3760161612,0.0022989487,0.0022989487,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-755204,Li4MnFe3(BO3)4,-7.7188631567,-2.3736297397,0.0046853702,0.0046853702,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-756264,Li4MnFe3(BO3)4,-7.7182157763,-2.3729823593,0.0053327506,0.0053327506,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-755859,Li4MnFe3(BO3)4,-7.7180941629,-2.372860746,0.005454364,0.005454364,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-777790,Li4MnFe3(BO3)4,-7.7181921488,-2.3729587318,0.0053563781,0.0053563781,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-779072,Li4MnFe3(BO3)4,-7.7189100979,-2.373676681,0.004638429,0.004638429,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-779783,Li4MnFe3(BO3)4,-7.719618084,-2.374384667,0.0039304429,0.0039304429,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-777637,Li4MnFe3(BO3)4,-7.7080457683,-2.3628123514,0.0155027585,0.0155027585,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-778994,Li4MnFe3(BO3)4,-7.7188636196,-2.3736302026,0.0046849073,0.0046849073,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-780938,Li4MnFe3(BO3)4,-7.7211210754,-2.3758876585,0.0024274515,0.0024274515,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-755639,Li4MnFe3(BO3)4,-7.720324147899999,-2.375090731,0.003224379,0.003224379,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-1177332,Li4MnFe3(BO3)4,-7.7216914158,-2.3764579989,0.001857111,0.001857111,GGA+U,P1,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O,24.0,A4B3C4DE12_aP24_1_4a_3a_4a_a_12a:B-Fe-Li-Mn-O +mp-1177334,Li4MnFe3(BO3)4,-7.7054806925,-2.3602472755,0.0180678344,0.0180678344,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-1177388,Li4MnFe3(BO3)4,-7.721625941,-2.3763925241,0.0019225858,0.0019225858,GGA+U,P1,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O,48.0,A4B3C4DE12_aP48_1_8a_6a_8a_2a_24a:B-Fe-Li-Mn-O +mp-780977,Li4MnFe3(BO3)4,-7.7190900773,-2.3738566603,0.0044584496,0.0044584496,GGA+U,P-1,A4B3C4DE12_aP48_2_4i_3i_4i_i_12i:B-Fe-Li-Mn-O,48.0,"Invalid WP multiplicities - A4B3C4DE12_aP48_2_7i_4i_8i_i_23i:B-Fe-Li-Mn-O, expected Li8MnFe4B7O23 to be Li4MnFe3(BO3)4" +mp-775258,Li4MnFe3(BO3)4,-7.7187603827,-2.3735269657,0.0047881442,0.0047881442,GGA+U,P-1,A4B3C4DE12_aP48_2_4i_3i_4i_i_12i:B-Fe-Li-Mn-O,48.0,"Invalid WP multiplicities - A4B3C4DE12_aP48_2_8i_6i_4i_i_22i:B-Fe-Li-Mn-O, expected Li4MnFe6(B4O11)2 to be Li4MnFe3(BO3)4" +mp-766660,Li11Fe12(BO3)12,-7.675220309,-2.3108273385,0.0212815195,0.0212815195,GGA+U,P1,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O,71.0,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O +mp-802705,Li11Fe12(BO3)12,-7.3760034515,-2.011610481,0.3204983769,0.3204983769,GGA+U,P1,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O,71.0,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O +mp-766960,Li11Fe12(BO3)12,-7.6834071593,-2.3190141888,0.0130946692,0.0130946692,GGA+U,P1,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O,71.0,A12B12C11D36_aP71_1_12a_12a_11a_36a:B-Fe-Li-O +mp-774381,LiFe4(BO3)4,-8.0377717895,-2.2345889645,0.0740668255,0.0740668255,GGA+U,P1,A4B4CD12_aP21_1_4a_4a_a_12a:B-Fe-Li-O,21.0,A4B4CD12_aP21_1_4a_4a_a_12a:B-Fe-Li-O +mp-761212,LiFe4(BO3)4,-8.0326131502,-2.2294303252,0.0792254648,0.0792254648,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761225,LiFe4(BO3)4,-8.0363601026,-2.2331772776,0.0754785124,0.0754785124,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761235,LiFe4(BO3)4,-8.0334198588,-2.2302370338,0.0784187562,0.0784187562,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-764620,LiFe4(BO3)4,-8.0314915374,-2.2283087124,0.0803470776,0.0803470776,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761255,LiFe4(BO3)4,-8.0280151171,-2.2248322921,0.0838234979,0.0838234979,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-764723,LiFe4(BO3)4,-8.0306510974,-2.2274682724,0.0811875176,0.0811875176,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-764738,LiFe4(BO3)4,-8.0359038557,-2.2327210307,0.0759347593,0.0759347593,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849704,LiFe4(BO3)4,-8.0317584986,-2.2285756736,0.0800801164,0.0800801164,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849720,LiFe4(BO3)4,-8.0319530593,-2.2287702343,0.0798855557,0.0798855557,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849622,LiFe4(BO3)4,-8.0357364179,-2.2325535929,0.0761021971,0.0761021971,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849742,LiFe4(BO3)4,-8.0298539983,-2.2266711733,0.0819846167,0.0819846167,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761201,LiFe4(BO3)4,-8.0355844486,-2.2324016236,0.0762541664,0.0762541664,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761265,LiFe4(BO3)4,-8.0302936429,-2.2271108179,0.0815449721,0.0815449721,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761195,LiFe4(BO3)4,-8.0271893202,-2.2240064952,0.0846492948,0.0846492948,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849952,LiFe4(BO3)4,-8.0322127981,-2.2290299731,0.0796258169,0.0796258169,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-758274,LiFe4(BO3)4,-8.0309495629,-2.2277667379,0.0808890521,0.0808890521,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849620,LiFe4(BO3)4,-8.0363589938,-2.2331761688,0.0754796212,0.0754796212,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849612,LiFe4(BO3)4,-8.0364625352,-2.2332797102,0.0753760798,0.0753760798,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-759950,LiFe4(BO3)4,-8.0296448574,-2.2264620324,0.0821937576,0.0821937576,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-1176725,LiFe4(BO3)4,-8.035766516,-2.232583691,0.076072099,0.076072099,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-882858,LiFe4(BO3)4,-8.0291464474,-2.2259636224,0.0826921676,0.0826921676,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-882582,LiFe4(BO3)4,-8.0319159324,-2.2287331074,0.0799226826,0.0799226826,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-761256,LiFe4(BO3)4,-8.028052271,-2.224869446,0.083786344,0.083786344,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-882580,LiFe4(BO3)4,-8.0334034098,-2.2302205848,0.0784352052,0.0784352052,GGA+U,P1,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O,42.0,A4B4CD12_aP42_1_8a_8a_2a_24a:B-Fe-Li-O +mp-849690,LiFe4(BO3)4,-8.0351901883,-2.2320073633,0.0766484267,0.0766484267,GGA+U,Pc,A4B4CD12_mP42_7_4a_4a_a_12a:B-Fe-Li-O,42.0,"Invalid WP multiplicities - A4B4CD12_mP42_7_8a_8a_a_24a:B-Fe-Li-O, expected LiFe8(BO3)8 to be LiFe4(BO3)4" +mp-779091,LiFe4(BO3)4,-8.0290093352,-2.2258265102,0.0828292798,0.0828292798,GGA+U,Pc,A4B4CD12_mP42_7_4a_4a_a_12a:B-Fe-Li-O,42.0,"Invalid WP multiplicities - A4B4CD12_mP42_7_6a_6a_a_20a:B-Fe-Li-O, expected LiFe6(B3O10)2 to be LiFe4(BO3)4" +mp-752646,Li3Fe(BO3)2,-7.2303432075,-2.4607010726,0.013574351,0.013574351,GGA+U,P1,A2BC3D6_aP24_1_4a_2a_6a_12a:B-Fe-Li-O,24.0,A2BC3D6_aP24_1_4a_2a_6a_12a:B-Fe-Li-O +mp-779307,Li3Fe(BO3)2,-6.9779149067,-2.2082727717,0.2660026519,0.2660026519,GGA+U,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Fe-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Fe-Li-O, expected Li5FeB3O11 to be Li3Fe(BO3)2" +mp-770825,Li3Fe(BO3)2,-7.2430085131,-2.4733663782,0.0009090454,0.0009090454,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Fe-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_21e:B-Fe-Li-O, expected Li11Fe(BO3)7 to be Li3Fe(BO3)2" +mp-779306,Li3Fe(BO3)2,-7.1723089804,-2.4026668455,0.0716085781,0.0716085781,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Fe-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_9e_21e:B-Fe-Li-O, expected Li9Fe(BO3)7 to be Li3Fe(BO3)2" +mp-770926,Li3Fe(BO3)2,-7.1746975952,-2.4050554603,0.0692199633,0.0692199633,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Fe-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_3e_e_11e_19e:B-Fe-Li-O, expected Li11FeB3O19 to be Li3Fe(BO3)2" +mp-778811,Li2Fe(BO3)2,-7.32886514,-2.299157617,0.0818214267,0.0818214267,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:B-Fe-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_7e_e_7e_23e:B-Fe-Li-O, expected Li7FeB7O23 to be Li2Fe(BO3)2" +mp-766461,Li2Fe(BO3)2,-7.3288141073,-2.2991065843,0.0818724594,0.0818724594,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:B-Fe-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_7e_e_7e_23e:B-Fe-Li-O, expected Li7FeB7O23 to be Li2Fe(BO3)2" +mp-776547,Li2Fe(BO3)2,-7.2763742464,-2.2466667234,0.1343123204,0.1343123204,GGA+U,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:B-Fe-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_14_e_a_e_9e:B-Fe-Li-O, expected Li2Fe(BO9)2 to be Li2Fe(BO3)2" +mp-1177982,Li2Fe(BO3)2,-7.3445392273,-2.3148317043,0.0661473394,0.0661473394,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:B-Fe-Li-O,22.0,A2BC2D6_hR33_148_c_a_c_f:B-Fe-Li-O +mp-768410,Li3MnB4O9,-7.6557336491,-2.5894660387,0.0683411504,0.0683411504,GGA+U,P2_1/m,A4B3CD9_mP34_11_2ef_ef_e_3e3f:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A4B3CD9_mP34_11_4ef_e2f_e_6e5f:B-Li-Mn-O, expected Li5Mn(B3O8)2 to be Li3MnB4O9" +mp-766488,Li3Mn3(BO3)4,-7.8460756345,-2.4237735393,0.0878691113,0.0878691113,GGA+U,Pc,A4B3C3D12_mP44_7_4a_3a_3a_12a:B-Li-Mn-O,44.0,A4B3C3D12_mP44_7_8a_6a_6a_24a:B-Li-Mn-O +mp-781617,Li5Mn6(BO3)6,-8.0109323714,-2.4785479853,0.0311439068,0.0311439068,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-782643,Li5Mn6(BO3)6,-8.0134657614,-2.4810813753,0.0286105168,0.0286105168,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-849333,Li5Mn6(BO3)6,-8.0063968134,-2.4740124273,0.0356794648,0.0356794648,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-849458,Li5Mn6(BO3)6,-8.0044386169,-2.4720542308,0.0376376613,0.0376376613,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-850959,Li5Mn6(BO3)6,-8.0113942611,-2.4790098751,0.0306820171,0.0306820171,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-780433,Li5Mn6(BO3)6,-8.0075987626,-2.4752143765,0.0344775156,0.0344775156,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-780419,Li5Mn6(BO3)6,-8.0065111669,-2.4741267808,0.0355651113,0.0355651113,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-780156,Li5Mn6(BO3)6,-8.0143977006,-2.4820133145,0.0276785776,0.0276785776,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-780308,Li5Mn6(BO3)6,-8.015452836,-2.4830684499,0.0266234422,0.0266234422,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-849497,Li5Mn6(BO3)6,-8.0084100789,-2.4760256928,0.0336661993,0.0336661993,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-780199,Li5Mn6(BO3)6,-8.0096353186,-2.4772509325,0.0324409596,0.0324409596,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-781670,Li5Mn6(BO3)6,-8.0066256837,-2.4742412976,0.0354505945,0.0354505945,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-776558,Li5Mn6(BO3)6,-8.0050869363,-2.4727025502,0.0369893419,0.0369893419,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-782654,Li5Mn6(BO3)6,-8.0087736066,-2.4763892205,0.0333026716,0.0333026716,GGA+U,P1,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O,35.0,A6B5C6D18_aP35_1_6a_5a_6a_18a:B-Li-Mn-O +mp-849580,Li5Mn6(BO3)6,-8.0081134983,-2.4757291122,0.0339627799,0.0339627799,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-849568,Li5Mn6(BO3)6,-8.0070506041,-2.4746662181,0.0350256741,0.0350256741,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-849567,Li5Mn6(BO3)6,-8.0071911281,-2.4748067421,0.0348851501,0.0348851501,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-849585,Li5Mn6(BO3)6,-8.0057756573,-2.4733912712,0.0363006209,0.0363006209,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-893207,Li5Mn6(BO3)6,-7.6928201166,-2.1604357305,0.3492561616,0.3492561616,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-849613,Li5Mn6(BO3)6,-8.0077002327,-2.4753158466,0.0343760455,0.0343760455,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-893219,Li5Mn6(BO3)6,-7.6865893354,-2.1542049493,0.3554869428,0.3554869428,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-893087,Li5Mn6(BO3)6,-7.6776351836,-2.1452507975,0.3644410946,0.3644410946,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-782820,Li5Mn6(BO3)6,-8.0078181636,-2.4754337775,0.0342581146,0.0342581146,GGA+U,P1,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O,70.0,A6B5C6D18_aP70_1_12a_10a_12a_36a:B-Li-Mn-O +mp-849508,Li5Mn6(BO3)6,-8.0020887243,-2.4697043382,0.0399875539,0.0399875539,GGA+U,Pm,A6B5C6D18_mP35_6_2a2bc_2a3b_3c_6a6b3c:B-Li-Mn-O,35.0,A6B5C6D18_mP35_6_2a2bc_2a3b_3c_6a6b3c:B-Li-Mn-O +mp-849414,Li5Mn6(BO3)6,-8.0035294227,-2.4711450366,0.0385468555,0.0385468555,GGA+U,Pm,A6B5C6D18_mP70_6_2a2b4c_2a2b3c_6c_6a6b12c:B-Li-Mn-O,70.0,"Invalid WP multiplicities - A6B5C6D18_mP70_6_2a2b7c_2a2b4c_7c_6a6b17c:B-Li-Mn-O, expected Li6Mn7B9O23 to be Li5Mn6(BO3)6" +mp-849413,Li5Mn6(BO3)6,-8.0029630894,-2.4705787033,0.0391131888,0.0391131888,GGA+U,Cm,A6B5C6D18_mC70_8_4ab_5a_3b_12a3b:B-Li-Mn-O,35.0,"Invalid WP multiplicities - A6B5C6D18_mC70_8_4a2b_5a_3b_12a3b:B-Li-Mn-O, expected Li5Mn6(B4O9)2 to be Li5Mn6(BO3)6" +mp-849498,Li5Mn6(BO3)6,-8.0024073443,-2.4700229582,0.0396689339,0.0396689339,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O +mp-831261,Li5Mn6(BO3)6,-8.0023814271,-2.4699970411,0.0396948511,0.0396948511,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,"Invalid WP multiplicities - A6B5C6D18_mC140_8_8a4b_10a_11b_24a12b:B-Li-Mn-O, expected Li5Mn11(BO3)8 to be Li5Mn6(BO3)6" +mp-831270,Li5Mn6(BO3)6,-8.0026284813,-2.4702440952,0.0394477969,0.0394477969,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O +mp-777985,Li5Mn6(BO3)6,-8.0018109587,-2.4694265726,0.0402653195,0.0402653195,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O +mp-777991,Li5Mn6(BO3)6,-8.0019948897,-2.4696105036,0.0400813885,0.0400813885,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O +mp-849548,Li5Mn6(BO3)6,-8.0032209309,-2.4708365448,0.0388553473,0.0388553473,GGA+U,Cm,A6B5C6D18_mC140_8_4a4b_4a3b_6b_12a12b:B-Li-Mn-O,70.0,"Invalid WP multiplicities - A6B5C6D18_mC140_8_4a6b_4a5b_9b_12a19b:B-Li-Mn-O, expected Li7Mn9B8O25 to be Li5Mn6(BO3)6" +mp-849571,Li5Mn6(BO3)6,-8.0042432149,-2.4718588288,0.0378330633,0.0378330633,GGA+U,Cm,A6B5C6D18_mC140_8_4a4b_4a3b_6b_12a12b:B-Li-Mn-O,70.0,"Invalid WP multiplicities - A6B5C6D18_mC140_8_4a6b_4a5b_9b_12a19b:B-Li-Mn-O, expected Li7Mn9B8O25 to be Li5Mn6(BO3)6" +mp-849625,Li5Mn6(BO3)6,-8.0020933689,-2.4697089828,0.0399829093,0.0399829093,GGA+U,Cm,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O,70.0,A6B5C6D18_mC140_8_8a2b_10a_6b_24a6b:B-Li-Mn-O +mp-767762,Li5Mn6(BO3)6,-8.0097914537,-2.4774070676,0.0322848245,0.0322848245,GGA+U,Cc,A6B5C6D18_mC140_9_6a_5a_6a_18a:B-Li-Mn-O,70.0,"Invalid WP multiplicities - A6B5C6D18_mC140_9_12a_10a_10a_36a:B-Li-Mn-O, expected Li5Mn5(BO3)6 to be Li5Mn6(BO3)6" +mp-752566,Li3Fe(BO2)5,-7.7167868087,-2.6083322941,0.0480183328,0.0480183328,GGA+U,P-1,A5BC3D10_aP38_2_5i_i_3i_10i:B-Fe-Li-O,38.0,"Invalid WP multiplicities - A5BC3D10_aP38_2_9i_i_5i_19i:B-Fe-Li-O, expected Li5FeB9O19 to be Li3Fe(BO2)5" +mp-768474,LiMnBO3,-7.8788255426,-2.4470928654,0.0678372799,0.039695818,GGA+U,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Li-Mn-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Li-Mn-O +mp-753767,LiMnBO3,-7.9405919425,-2.5088592653,0.00607088,-0.0220705819,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:B-Li-Mn-O,24.0,ABCD3_aP12_2_i_i_i_3i:B-Li-Mn-O +mp-831163,LiMnBO3,-7.9411204329,-2.5093877557,0.0055423896,-0.0225990724,GGA+U,Cc,ABCD3_mC48_9_2a_2a_2a_6a:B-Li-Mn-O,24.0,ABCD3_mC48_9_2a_2a_2a_6a:B-Li-Mn-O +mp-754744,LiMnBO3,-7.8528590929,-2.4211264157,0.0938037296,0.0656622676,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Li-Mn-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Li-Mn-O +mp-754950,LiMnBO3,-7.8901761342,-2.4584434569,0.0564866883,0.0283452264,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Li-Mn-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_9e:B-Li-Mn-O, expected LiMnBO9 to be LiMnBO3" +mp-831262,LiMnBO3,-7.9391083568,-2.5073756796,0.0075544657,-0.0205869962,GGA+U,P2_1/c,ABCD3_mP96_14_4e_4e_4e_12e:B-Li-Mn-O,96.0,"Invalid WP multiplicities - ABCD3_mP96_14_6e_6e_6e_26e:B-Li-Mn-O, expected Li3Mn3B3O13 to be LiMnBO3" +mp-1176645,LiMnBO3,-7.886835035,-2.4551023578,0.0598277875,0.0316863256,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Li-Mn-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_9e:B-Li-Mn-O, expected LiMnBO9 to be LiMnBO3" +mp-771295,LiMnBO3,-7.8703706225,-2.4386379453,0.0762921999999999,0.0481507381,GGA+U,Pbca,ABCD3_oP48_61_c_c_c_3c:B-Li-Mn-O,48.0,"Invalid WP multiplicities - ABCD3_oP48_61_c_c_c_9c:B-Li-Mn-O, expected LiMnBO9 to be LiMnBO3" +mp-1575674,LiMnBO3,-7.8975439562,-2.465811279,0.0491188663,0.0209774043,GGA+U,Pnma,ABCD3_oP24_62_c_c_c_3c:B-Li-Mn-O,24.0,ABCD3_oP24_62_c_c_c_3c:B-Li-Mn-O +mp-756752,LiMnBO3,-7.8970736819,-2.4653410047,0.0495891406,0.0214476786,GGA+U,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Li-Mn-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Li-Mn-O +mp-19131,LiMnBO3,-7.9466628225,-2.5149301453,0.0,-0.0281414619,GGA+U,P-6,ABCD3_hP18_174_acf_j_k_2jk:B-Li-Mn-O,36.0,ABCD3_hP18_174_acf_j_k_2jk:B-Li-Mn-O +mp-777583,Li8Mn3Fe5(BO3)8,-7.7433150673,-2.383665107,0.0174191755,0.0174191755,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-774410,Li8Mn3Fe5(BO3)8,-7.7540662883,-2.394416328,0.0066679545,0.0066679545,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-778045,Li8Mn3Fe5(BO3)8,-7.7553787065,-2.3957287461,0.0053555364,0.0053555364,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-777943,Li8Mn3Fe5(BO3)8,-7.7552856285,-2.3956356682,0.0054486143,0.0054486143,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-778158,Li8Mn3Fe5(BO3)8,-7.7575697423,-2.397919782,0.0031645005,0.0031645005,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-775252,Li8Mn3Fe5(BO3)8,-7.7576424446,-2.3979924842,0.0030917982,0.0030917982,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-775257,Li8Mn3Fe5(BO3)8,-7.7550907417,-2.3954407813,0.0056435011,0.0056435011,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-780470,Li8Mn3Fe5(BO3)8,-7.7554363515,-2.3957863911,0.0052978914,0.0052978914,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-778883,Li8Mn3Fe5(BO3)8,-7.7575449923,-2.397895032,0.0031892505,0.0031892505,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-777957,Li8Mn3Fe5(BO3)8,-7.7563325648,-2.3966826045,0.004401678,0.004401678,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-775378,Li8Mn3Fe5(BO3)8,-7.7538113831,-2.3941614228,0.0069228597,0.0069228597,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-779053,Li8Mn3Fe5(BO3)8,-7.7553669742,-2.3957170138,0.0053672686,0.0053672686,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-1176886,Li8Mn3Fe5(BO3)8,-7.7462020048,-2.3865520445,0.014532238,0.014532238,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-1176891,Li8Mn3Fe5(BO3)8,-7.7575466052,-2.3978966449,0.0031876376,0.0031876376,GGA+U,P1,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O,48.0,A8B5C8D3E24_aP48_1_8a_5a_8a_3a_24a:B-Fe-Li-Mn-O +mp-766489,Li3Mn2Fe(BO3)4,-7.798334952,-2.4074871333,0.0697052689,0.0697052689,GGA+U,Pc,A4BC3D2E12_mP44_7_4a_a_3a_2a_12a:B-Fe-Li-Mn-O,44.0,"Invalid WP multiplicities - A4BC3D2E12_mP44_7_8a_a_6a_4a_24a:B-Fe-Li-Mn-O, expected Li6Mn4Fe(BO3)8 to be Li3Mn2Fe(BO3)4" +mp-771078,Li3FeBO5,-6.6879941988,-2.127031685,0.0979552018,0.0979552018,GGA+U,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:B-Fe-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_6a_10a:B-Fe-Li-O, expected Li6FeBO10 to be Li3FeBO5" +mp-759625,Li3Fe2(BO4)2,-7.201486128,-2.1615458446,0.1040331509,0.1040331509,GGA+U,Pc,A2B2C3D8_mP30_7_2a_2a_3a_8a:B-Fe-Li-O,30.0,"Invalid WP multiplicities - A2B2C3D8_mP30_7_2a_4a_3a_8a:B-Fe-Li-O, expected Li3Fe4(BO4)2 to be Li3Fe2(BO4)2" +mp-780663,LiMn2(BO3)2,-8.1846718484,-2.4326837338,0.0655792423,0.0655792423,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-777822,LiMn2(BO3)2,-8.175093573,-2.4231054584,0.0751575177,0.0751575177,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-779023,LiMn2(BO3)2,-8.1764979352,-2.4245098207,0.0737531554,0.0737531554,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-782642,LiMn2(BO3)2,-8.1770111794,-2.4250230649,0.0732399112,0.0732399112,GGA+U,P1,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O,33.0,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O +mp-849990,LiMn2(BO3)2,-8.1773069373,-2.4253188227,0.0729441534,0.0729441534,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-849301,LiMn2(BO3)2,-8.1780223367,-2.4260342221,0.072228754,0.072228754,GGA+U,P1,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O,33.0,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O +mp-759375,LiMn2(BO3)2,-8.1818558064,-2.4298676918,0.0683952843,0.0683952843,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_aP11_1_2a_a_4a_6a:B-Li-Mn-O, expected LiMn4(BO3)2 to be LiMn2(BO3)2" +mp-777405,LiMn2(BO3)2,-8.1796032556,-2.4276151411,0.070647835,0.070647835,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-777293,LiMn2(BO3)2,-8.177841372,-2.4258532574,0.0724097187,0.0724097187,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-850907,LiMn2(BO3)2,-8.1790410205,-2.4270529059,0.0712100702,0.0712100702,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-778827,LiMn2(BO3)2,-8.178546093,-2.4265579784,0.0717049977,0.0717049977,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-851076,LiMn2(BO3)2,-8.1783284029,-2.4263402884,0.0719226877,0.0719226877,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-778762,LiMn2(BO3)2,-8.1787552056,-2.4267670911,0.071495885,0.071495885,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-890764,LiMn2(BO3)2,-5.6448673426,0.107120772,2.6053837481,2.6053837481,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-779335,LiMn2(BO3)2,-8.17355232,-2.4215642055,0.0766987706,0.0766987706,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-780334,LiMn2(BO3)2,-8.183665393,-2.4316772784,0.0665856977,0.0665856977,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-780500,LiMn2(BO3)2,-8.1768490648,-2.4248609502000003,0.0734020259,0.0734020259,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-780389,LiMn2(BO3)2,-8.1821897518,-2.4302016373,0.0680613388,0.0680613388,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-779475,LiMn2(BO3)2,-8.1735704676,-2.421582353,0.0766806231,0.0766806231,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-781497,LiMn2(BO3)2,-8.1711809617,-2.4191928471,0.079070129,0.079070129,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-781608,LiMn2(BO3)2,-8.182707155,-2.4307190405,0.0675439356,0.0675439356,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-781616,LiMn2(BO3)2,-8.1709840727,-2.4189959582,0.0792670179,0.0792670179,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-781623,LiMn2(BO3)2,-8.1749269944,-2.4229388798,0.0753240963,0.0753240963,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-781673,LiMn2(BO3)2,-8.1701857807,-2.4181976662,0.0800653099,0.0800653099,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-776584,LiMn2(BO3)2,-8.1768821861,-2.4248940715,0.0733689046,0.0733689046,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-849488,LiMn2(BO3)2,-8.1774485809,-2.4254604664,0.0728025097,0.0728025097,GGA+U,P1,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O,55.0,A2BC2D6_aP55_1_10a_5a_10a_30a:B-Li-Mn-O +mp-777467,LiMn2(BO3)2,-8.1748973121,-2.4229091976,0.0753537785,0.0753537785,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-778403,LiMn2(BO3)2,-8.1823001186,-2.4303120041,0.067950972,0.067950972,GGA+U,P1,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O,66.0,A2BC2D6_aP66_1_12a_6a_12a_36a:B-Li-Mn-O +mp-850885,LiMn2(BO3)2,-8.168520088,-2.4165319734,0.0817310027,0.0817310027,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-850921,LiMn2(BO3)2,-8.1782681832,-2.4262800686,0.0719829075,0.0719829075,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-1176667,LiMn2(BO3)2,-8.1736790161,-2.4216909016,0.0765720745,0.0765720745,GGA+U,P1,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O,44.0,A2BC2D6_aP44_1_8a_4a_8a_24a:B-Li-Mn-O +mp-1176674,LiMn2(BO3)2,-8.1704809018,-2.4184927873,0.0797701888,0.0797701888,GGA+U,P1,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O,33.0,A2BC2D6_aP33_1_6a_3a_6a_18a:B-Li-Mn-O +mp-754889,LiMn2(BO3)2,-8.1824904195,-2.430502305,0.0677606711,0.0677606711,GGA+U,P-1,A2BC2D6_aP22_2_2i_i_2i_6i:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_aP22_2_3i_i_3i_11i:B-Li-Mn-O, expected LiMn3B3O11 to be LiMn2(BO3)2" +mp-1567236,LiMn2(BO3)2,-8.1755222391,-2.4235341245,0.0747288515,0.0747288515,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:B-Li-Mn-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:B-Li-Mn-O +mp-1570353,LiMn2(BO3)2,-8.1805772441,-2.4285891295,0.0696738465,0.0696738465,GGA+U,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:B-Li-Mn-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:B-Li-Mn-O +mp-850898,LiMn2(BO3)2,-8.1738451491,-2.4218570345,0.0764059415,0.0764059415,GGA+U,P-1,A2BC2D6_aP22_2_2i_i_2i_6i:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_aP22_2_2i_i_4i_6i:B-Li-Mn-O, expected LiMn4(BO3)2 to be LiMn2(BO3)2" +mp-780617,LiMn2(BO3)2,-8.1750869105,-2.4230987959,0.0751641802,0.0751641802,GGA+U,P-1,A2BC2D6_aP44_2_4i_2i_4i_12i:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP44_2_6i_2i_7i_24i:B-Li-Mn-O, expected Li2Mn7(BO4)6 to be LiMn2(BO3)2" +mp-851119,LiMn2(BO3)2,-8.1735038427,-2.4215157282,0.0767472479,0.0767472479,GGA+U,P-1,A2BC2D6_aP44_2_4i_2i_4i_12i:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP44_2_7i_3i_7i_23i:B-Li-Mn-O, expected Li3Mn7B7O23 to be LiMn2(BO3)2" +mp-780198,LiMn2(BO3)2,-8.1660848177,-2.4140967032,0.0841662729,0.0841662729,GGA+U,P-1,A2BC2D6_aP22_2_2i_i_2i_6i:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_aP22_2_2i_i_4i_12i:B-Li-Mn-O, expected LiMn4(BO6)2 to be LiMn2(BO3)2" +mp-780096,LiMn2(BO3)2,-8.1652332886,-2.4132451741,0.085017802,0.085017802,GGA+U,P-1,A2BC2D6_aP44_2_4i_2i_4i_12i:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP44_2_7i_3i_7i_23i:B-Li-Mn-O, expected Li3Mn7B7O23 to be LiMn2(BO3)2" +mp-755482,LiMn2(BO3)2,-8.1719015723,-2.4199134577,0.0783495184,0.0783495184,GGA+U,P-1,A2BC2D6_aP22_2_2i_i_2i_6i:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_aP22_2_3i_i_3i_11i:B-Li-Mn-O, expected LiMn3B3O11 to be LiMn2(BO3)2" +mp-850994,LiMn2(BO3)2,-8.1804481252,-2.4284600107,0.0698029654,0.0698029654,GGA+U,P-1,A2BC2D6_aP44_2_4i_2i_4i_12i:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2BC2D6_aP44_2_8i_2i_8i_24i:B-Li-Mn-O, expected LiMn4(BO3)4 to be LiMn2(BO3)2" +mp-775226,LiMn2(BO3)2,-8.1773042234,-2.4253161089,0.0729468672,0.0729468672,GGA+U,Pc,A2BC2D6_mP44_7_4a_2a_4a_12a:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_7_8a_3a_8a_24a:B-Li-Mn-O, expected Li3Mn8(BO3)8 to be LiMn2(BO3)2" +mp-755030,LiMn2(BO3)2,-8.1736397618,-2.4216516473,0.0766113288,0.0766113288,GGA+U,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_9_4a_a_4a_12a:B-Li-Mn-O, expected LiMn4(BO3)4 to be LiMn2(BO3)2" +mp-849588,LiMn2(BO3)2,-8.1775116218,-2.4255235073,0.0727394688,0.0727394688,GGA+U,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2BC2D6_mC44_9_2a_a_4a_6a:B-Li-Mn-O, expected LiMn4(BO3)2 to be LiMn2(BO3)2" +mp-763194,LiMn2(BO3)2,-8.170259995,-2.4182718805,0.0799910956,0.0799910956,GGA+U,Cc,A2BC2D6_mC44_9_2a_a_2a_6a:B-Li-Mn-O,22.0,A2BC2D6_mC44_9_2a_a_2a_6a:B-Li-Mn-O +mp-849746,LiMn2(BO3)2,-8.1828530783,-2.4308649638,0.0673980123,0.0673980123,GGA+U,Cc,A2BC2D6_mC132_9_6a_3a_6a_18a:B-Li-Mn-O,66.0,"Invalid WP multiplicities - A2BC2D6_mC132_9_11a_3a_10a_36a:B-Li-Mn-O, expected Li3Mn10B11O36 to be LiMn2(BO3)2" +mp-777375,LiMn2(BO3)2,-8.18143264,-2.4294445255,0.0688184506,0.0688184506,GGA+U,Cc,A2BC2D6_mC132_9_6a_3a_6a_18a:B-Li-Mn-O,66.0,A2BC2D6_mC132_9_12a_6a_12a_36a:B-Li-Mn-O +mp-759917,Li9Mn4(BO3)8,-7.4755843382,-2.4537170003,0.0709823079,0.0709823079,GGA+U,P1,A8B9C4D24_aP45_1_8a_9a_4a_24a:B-Li-Mn-O,45.0,A8B9C4D24_aP45_1_8a_9a_4a_24a:B-Li-Mn-O +mp-758924,Li9Mn4(BO3)8,-7.4532730762,-2.4314057383,0.0932935699,0.0932935699,GGA+U,P1,A8B9C4D24_aP45_1_8a_9a_4a_24a:B-Li-Mn-O,45.0,A8B9C4D24_aP45_1_8a_9a_4a_24a:B-Li-Mn-O +mp-777347,Li3Fe8(BO3)8,-7.9584572933,-2.2458386533,0.0761699531,0.0761699531,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764506,Li3Fe8(BO3)8,-7.9546136014,-2.2419949615,0.080013645,0.080013645,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764513,Li3Fe8(BO3)8,-7.9596296091,-2.2470109691,0.0749976373,0.0749976373,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759768,Li3Fe8(BO3)8,-7.9650749795,-2.2524563396,0.0695522668,0.0695522668,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759466,Li3Fe8(BO3)8,-7.9573964233,-2.2447777833,0.0772308231,0.0772308231,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764524,Li3Fe8(BO3)8,-7.9579985012,-2.2453798612,0.0766287452,0.0766287452,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764525,Li3Fe8(BO3)8,-7.9588619233,-2.2462432833,0.0757653231,0.0757653231,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-761213,Li3Fe8(BO3)8,-7.9645586974,-2.2519400575,0.0700685489,0.0700685489,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764535,Li3Fe8(BO3)8,-7.9645308219,-2.2519121819,0.0700964245,0.0700964245,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-760324,Li3Fe8(BO3)8,-7.9600320753,-2.2474134354,0.074595171,0.074595171,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-761215,Li3Fe8(BO3)8,-7.9660758228,-2.2534571829,0.0685514236,0.0685514236,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759387,Li3Fe8(BO3)8,-7.964025253,-2.2514066131,0.0706019934,0.0706019934,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-761234,Li3Fe8(BO3)8,-7.9632007784,-2.2505821384,0.071426468,0.071426468,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764621,Li3Fe8(BO3)8,-7.9650328398,-2.2524141998,0.0695944066,0.0695944066,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-761241,Li3Fe8(BO3)8,-7.960914003,-2.2482953631,0.0737132434,0.0737132434,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764672,Li3Fe8(BO3)8,-7.966325027,-2.2537063871,0.0683022194,0.0683022194,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764722,Li3Fe8(BO3)8,-7.9618871591,-2.2492685191,0.0727400873,0.0727400873,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764741,Li3Fe8(BO3)8,-7.9575695951,-2.2449509552,0.0770576513,0.0770576513,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759585,Li3Fe8(BO3)8,-7.9635161702,-2.2508975303,0.0711110761,0.0711110761,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-849708,Li3Fe8(BO3)8,-7.9638149805,-2.2511963405,0.0708122659,0.0708122659,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759167,Li3Fe8(BO3)8,-7.9606015663,-2.2479829264,0.0740256801,0.0740256801,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-761214,Li3Fe8(BO3)8,-7.957818676,-2.2452000361,0.0768085703,0.0768085703,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764847,Li3Fe8(BO3)8,-7.9578246891,-2.2452060491,0.0768025573,0.0768025573,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-774421,Li3Fe8(BO3)8,-7.9629743421,-2.2503557022000003,0.0716529043,0.0716529043,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764796,Li3Fe8(BO3)8,-7.9595336142,-2.2469149743,0.0750936322,0.0750936322,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764815,Li3Fe8(BO3)8,-7.967919283,-2.2553006431,0.0667079634,0.0667079634,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764874,Li3Fe8(BO3)8,-7.9603723665,-2.2477537266,0.0742548799,0.0742548799,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-849619,Li3Fe8(BO3)8,-7.9687966788,-2.2561780389,0.0658305675,0.0658305675,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764941,Li3Fe8(BO3)8,-7.965537836,-2.2529191961,0.0690894103,0.0690894103,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764938,Li3Fe8(BO3)8,-7.9647674477,-2.2521488078,0.0698597987,0.0698597987,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-764971,Li3Fe8(BO3)8,-7.9607796049,-2.248160965,0.0738476415,0.0738476415,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-758915,Li3Fe8(BO3)8,-7.9590916326,-2.2464729926,0.0755356138,0.0755356138,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-882849,Li3Fe8(BO3)8,-7.9580062242,-2.2453875843,0.0766210222,0.0766210222,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-1177659,Li3Fe8(BO3)8,-7.9659491956,-2.2533305557,0.0686780508,0.0686780508,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-759902,Li3Fe8(BO3)8,-7.9616909272,-2.2490722873,0.0729363192,0.0729363192,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-1177681,Li3Fe8(BO3)8,-7.9608742302,-2.2482555903,0.0737530161,0.0737530161,GGA+U,P1,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O,43.0,A8B8C3D24_aP43_1_8a_8a_3a_24a:B-Fe-Li-O +mp-781594,LiMn3(BO3)3,-8.2654020097,-2.3933181061,0.0953941507,0.0953941507,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-781607,LiMn3(BO3)3,-8.2663498097,-2.3942659061,0.0944463507,0.0944463507,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-782644,LiMn3(BO3)3,-8.2690585784,-2.3969746749,0.0917375819,0.0917375819,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-850395,LiMn3(BO3)3,-8.26252862,-2.3904447165,0.0982675404,0.0982675404,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-850950,LiMn3(BO3)3,-8.2628355112,-2.3907516077,0.0979606491,0.0979606491,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-780460,LiMn3(BO3)3,-8.271241945,-2.3991580415,0.0895542154,0.0895542154,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-780388,LiMn3(BO3)3,-8.2637884497,-2.3917045461,0.0970077107,0.0970077107,GGA+U,P1,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O,32.0,A3BC3D9_aP32_1_6a_2a_6a_18a:B-Li-Mn-O +mp-780665,LiMn3(BO3)3,-8.2693088987,-2.3972249952,0.0914872616,0.0914872616,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-849514,LiMn3(BO3)3,-8.2648216266,-2.392737723,0.0959745338,0.0959745338,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-781682,LiMn3(BO3)3,-8.273982480899999,-2.4018985774,0.0868136794,0.0868136794,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_4i_18i:B-Li-Mn-O, expected LiMn4B5O18 to be LiMn3(BO3)3" +mp-776450,LiMn3(BO3)3,-8.2777050763,-2.4056211727,0.0830910841,0.0830910841,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-849243,LiMn3(BO3)3,-8.2633340297,-2.3912501261,0.0974621307,0.0974621307,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-849262,LiMn3(BO3)3,-8.2622475503,-2.3901636468,0.09854861,0.09854861,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_18i:B-Li-Mn-O, expected LiMn5B5O18 to be LiMn3(BO3)3" +mp-849298,LiMn3(BO3)3,-8.2633091122,-2.3912252086,0.0974870482,0.0974870482,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-780123,LiMn3(BO3)3,-8.2738184684,-2.4017345649,0.0869776919,0.0869776919,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_4i_i_5i_18i:B-Li-Mn-O, expected LiMn5(B2O9)2 to be LiMn3(BO3)3" +mp-780320,LiMn3(BO3)3,-8.2660459737,-2.3939620702,0.0947501866,0.0947501866,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_6i_i_5i_18i:B-Li-Mn-O, expected LiMn5(BO3)6 to be LiMn3(BO3)3" +mp-780327,LiMn3(BO3)3,-8.2678538125,-2.395769909,0.0929423479,0.0929423479,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_6i_i_6i_18i:B-Li-Mn-O, expected LiMn6(BO3)6 to be LiMn3(BO3)3" +mp-780510,LiMn3(BO3)3,-8.2653023806,-2.3932184771,0.0954937797,0.0954937797,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_5i_17i:B-Li-Mn-O, expected LiMn5B5O17 to be LiMn3(BO3)3" +mp-780524,LiMn3(BO3)3,-8.2628584541,-2.3907745505,0.0979377063,0.0979377063,GGA+U,P-1,A3BC3D9_aP32_2_3i_i_3i_9i:B-Li-Mn-O,32.0,"Invalid WP multiplicities - A3BC3D9_aP32_2_5i_i_6i_17i:B-Li-Mn-O, expected LiMn6B5O17 to be LiMn3(BO3)3" +mp-850402,Li5Mn8(BO3)8,-8.1084544087,-2.4418677441,0.0608398105,0.0608398105,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-777359,Li5Mn8(BO3)8,-8.1131448311,-2.4465581665,0.056149388,0.056149388,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-777385,Li5Mn8(BO3)8,-8.1083383847,-2.4417517201,0.0609558345,0.0609558345,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-778680,Li5Mn8(BO3)8,-8.1122152004,-2.4456285359,0.0570790187,0.0570790187,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-778857,Li5Mn8(BO3)8,-8.1049848651,-2.4383982005,0.064309354,0.064309354,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-778679,Li5Mn8(BO3)8,-8.1102340284,-2.4436473639000003,0.0590601907,0.0590601907,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-780112,Li5Mn8(BO3)8,-8.1124082042,-2.4458215396,0.0568860149,0.0568860149,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-776580,Li5Mn8(BO3)8,-8.1115095813,-2.4449229167,0.0577846378,0.0577846378,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-777272,Li5Mn8(BO3)8,-8.1104752651,-2.4438886005,0.058818954,0.058818954,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-778585,Li5Mn8(BO3)8,-8.1103428898,-2.4437562252,0.0589513294,0.0589513294,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-1177109,Li5Mn8(BO3)8,-8.1095432544,-2.4429565899,0.0597509647,0.0597509647,GGA+U,P1,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O,45.0,A8B5C8D24_aP45_1_8a_5a_8a_24a:B-Li-Mn-O +mp-764502,Li3Fe4(BO3)4,-7.7672781498,-2.3027266255,0.0279883399,0.0279883399,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-761209,Li3Fe4(BO3)4,-7.7627077513,-2.298156227,0.0325587384,0.0325587384,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-761222,Li3Fe4(BO3)4,-7.7661348717,-2.3015833475,0.0291316179,0.0291316179,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-758961,Li3Fe4(BO3)4,-7.7627034907,-2.2981519664,0.032562999,0.032562999,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-759239,Li3Fe4(BO3)4,-7.7639765187,-2.2994249944,0.031289971,0.031289971,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-760195,Li3Fe4(BO3)4,-7.7667105287,-2.3021590044,0.028555961,0.028555961,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-849701,Li3Fe4(BO3)4,-7.7661014107,-2.3015498864,0.029165079,0.029165079,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-754325,Li3Fe4(BO3)4,-7.7665077513,-2.301956227,0.0287587384,0.0287587384,GGA+U,P1,A4B4C3D12_aP23_1_4a_4a_3a_12a:B-Fe-Li-O,23.0,A4B4C3D12_aP23_1_4a_4a_3a_12a:B-Fe-Li-O +mp-764459,Li3Fe4(BO3)4,-7.7705474607,-2.3059959364,0.024719029,0.024719029,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-761211,Li3Fe4(BO3)4,-7.7699525665,-2.3054010422,0.0253139232,0.0253139232,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-764888,Li3Fe4(BO3)4,-7.7615257833,-2.296974259,0.0337407064,0.0337407064,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-764932,Li3Fe4(BO3)4,-7.7649004211,-2.3003488968,0.0303660686,0.0303660686,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-777445,Li3Fe4(BO3)4,-7.7694136198,-2.3048620955,0.0258528699,0.0258528699,GGA+U,P1,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O,46.0,A4B4C3D12_aP46_1_8a_8a_6a_24a:B-Fe-Li-O +mp-757269,Li3Fe4(BO3)4,-7.7626998804,-2.2981483562,0.0325666092,0.0325666092,GGA+U,Pc,A4B4C3D12_mP46_7_4a_4a_3a_12a:B-Fe-Li-O,46.0,"Invalid WP multiplicities - A4B4C3D12_mP46_7_6a_6a_4a_20a:B-Fe-Li-O, expected Li2Fe3B3O10 to be Li3Fe4(BO3)4" +mp-761202,Li3Fe4(BO3)4,-7.7661653963,-2.301613872,0.0291010934,0.0291010934,GGA+U,Pc,A4B4C3D12_mP46_7_4a_4a_3a_12a:B-Fe-Li-O,46.0,"Invalid WP multiplicities - A4B4C3D12_mP46_7_8a_8a_5a_24a:B-Fe-Li-O, expected Li5Fe8(BO3)8 to be Li3Fe4(BO3)4" +mp-774366,Li3MnFe2(BO3)3,-7.6820903703,-2.3272459244,0.0662486339,0.0662486339,GGA+U,Pm,A3B2C3DE9_mP36_6_ab2c_2a2b_3c_ab_3a3b6c:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_ab2c_2a2b_3c_ab_3a3b6c:B-Fe-Li-Mn-O +mp-774373,Li3MnFe2(BO3)3,-7.7423295161,-2.3874850702,0.0060094881,0.0060094881,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-779446,Li3MnFe2(BO3)3,-7.7427273628,-2.3878829169,0.0056116414,0.0056116414,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-777431,Li3MnFe2(BO3)3,-7.7428749222,-2.3880304763,0.0054640819,0.0054640819,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-778723,Li3MnFe2(BO3)3,-7.7422933169,-2.3874488711,0.0060456872,0.0060456872,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-778821,Li3MnFe2(BO3)3,-7.7428611753,-2.3880167294,0.0054778289,0.0054778289,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-778271,Li3MnFe2(BO3)3,-7.7427735011,-2.3879290552,0.0055655031,0.0055655031,GGA+U,Pm,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_2a4b_4a_6b_2a_6a12b:B-Fe-Li-Mn-O +mp-755332,Li3MnFe2(BO3)3,-7.7440876967,-2.3892432508,0.0042513075,0.0042513075,GGA+U,Pm,A3B2C3DE9_mP18_6_a2b_2a_3b_a_3a6b:B-Fe-Li-Mn-O,36.0,"Invalid WP multiplicities - A3B2C3DE9_mP18_6_a2b_4a_3b_a_3a6b:B-Fe-Li-Mn-O, expected Li3MnFe4(BO3)3 to be Li3MnFe2(BO3)3" +mp-780474,Li3MnFe2(BO3)3,-7.7420688433,-2.3872243975,0.0062701608,0.0062701608,GGA+U,Pm,A3B2C3DE9_mP36_6_ab2c_a3b_3c_2a_3a3b6c:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mP36_6_ab2c_a3b_3c_2a_3a3b6c:B-Fe-Li-Mn-O +mp-774348,Li3MnFe2(BO3)3,-7.7423602544,-2.3875158086,0.0059787497,0.0059787497,GGA+U,Cm,A3B2C3DE9_mC72_8_2a2b_4a_3b_2a_6a6b:B-Fe-Li-Mn-O,36.0,A3B2C3DE9_mC72_8_2a2b_4a_3b_2a_6a6b:B-Fe-Li-Mn-O +mp-766516,Li2Mn3(BO3)4,-7.9745156955,-2.3849098275,0.0950956373,0.0950956373,GGA+U,Pc,A4B2C3D12_mP42_7_4a_2a_3a_12a:B-Li-Mn-O,42.0,A4B2C3D12_mP42_7_8a_4a_6a_24a:B-Li-Mn-O +mp-766507,Li5Fe3(BO3)4,-7.4212733548,-2.3782521222,0.025273972,0.025273972,GGA+U,Pc,A4B3C5D12_mP48_7_4a_3a_5a_12a:B-Fe-Li-O,48.0,A4B3C5D12_mP48_7_8a_6a_10a_24a:B-Fe-Li-O +mp-849410,Li2Mn3(BO3)3,-8.072724281,-2.4337674973,0.0703780091,0.0703780091,GGA+U,P1,A3B2C3D9_aP51_1_9a_6a_9a_27a:B-Li-Mn-O,51.0,A3B2C3D9_aP51_1_9a_6a_9a_27a:B-Li-Mn-O +mp-781502,Li2Mn3(BO3)3,-8.0905200371,-2.4515632533,0.0525822531,0.0525822531,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-849239,Li2Mn3(BO3)3,-8.0947976824,-2.4558408986,0.0483046078,0.0483046078,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-776447,Li2Mn3(BO3)3,-8.091129435,-2.4521726513,0.0519728551,0.0519728551,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-776581,Li2Mn3(BO3)3,-8.0711136724,-2.4321568886,0.0719886178,0.0719886178,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-776598,Li2Mn3(BO3)3,-8.0706573329,-2.4317005492,0.0724449572,0.0724449572,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-849477,Li2Mn3(BO3)3,-8.0703467082,-2.4313899245,0.0727555819,0.0727555819,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-849546,Li2Mn3(BO3)3,-8.0674429371,-2.4284861533,0.0756593531,0.0756593531,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-850980,Li2Mn3(BO3)3,-8.0890910815,-2.4501342977,0.0540112086,0.0540112086,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-780407,Li2Mn3(BO3)3,-8.0957912891,-2.4568345054,0.047311001,0.047311001,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-850794,Li2Mn3(BO3)3,-8.0890699756,-2.4501131919,0.0540323145,0.0540323145,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-850782,Li2Mn3(BO3)3,-8.0870272821,-2.4480704983,0.0560750081,0.0560750081,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-849618,Li2Mn3(BO3)3,-8.0713296124,-2.4323728286,0.0717726778,0.0717726778,GGA+U,P1,A3B2C3D9_aP85_1_15a_10a_15a_45a:B-Li-Mn-O,85.0,A3B2C3D9_aP85_1_15a_10a_15a_45a:B-Li-Mn-O +mp-778965,Li2Mn3(BO3)3,-8.0628117954,-2.4238550117,0.0802904947,0.0802904947,GGA+U,P1,A3B2C3D9_aP68_1_12a_8a_12a_36a:B-Li-Mn-O,68.0,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O +mp-780693,Li2Mn3(BO3)3,-8.0918923679,-2.4529355842,0.0512099222,0.0512099222,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-776609,Li2Mn3(BO3)3,-8.071932211,-2.4329754273,0.0711700791,0.0711700791,GGA+U,P1,A3B2C3D9_aP51_1_9a_6a_9a_27a:B-Li-Mn-O,51.0,A3B2C3D9_aP51_1_9a_6a_9a_27a:B-Li-Mn-O +mp-849566,Li2Mn3(BO3)3,-8.0702788515,-2.4313220677,0.0728234386,0.0728234386,GGA+U,P1,A3B2C3D9_aP68_1_12a_8a_12a_36a:B-Li-Mn-O,68.0,A3B2C3D9_aP68_1_12a_8a_12a_36a:B-Li-Mn-O +mp-849616,Li2Mn3(BO3)3,-8.0679590953,-2.4290023116,0.0751431948,0.0751431948,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-849407,Li2Mn3(BO3)3,-8.0681339685,-2.4291771848,0.0749683216,0.0749683216,GGA+U,P1,A3B2C3D9_aP68_1_12a_8a_12a_36a:B-Li-Mn-O,68.0,A3B2C3D9_aP68_1_12a_8a_12a_36a:B-Li-Mn-O +mp-850952,Li2Mn3(BO3)3,-8.0872133665,-2.4482565827,0.0558889236,0.0558889236,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-1177918,Li2Mn3(BO3)3,-8.0679707071,-2.4290139233,0.0751315831,0.0751315831,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O,34.0,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Mn-O +mp-780574,Li2Mn3(BO3)3,-8.0835648653,-2.4446080816,0.0595374248,0.0595374248,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_2i_5i_18i:B-Li-Mn-O, expected Li2Mn5B5O18 to be Li2Mn3(BO3)3" +mp-780877,Li2Mn3(BO3)3,-8.0898218253,-2.4508650416,0.0532804648,0.0532804648,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_4i_2i_5i_18i:B-Li-Mn-O, expected Li2Mn5(B2O9)2 to be Li2Mn3(BO3)3" +mp-850396,Li2Mn3(BO3)3,-8.0880626474,-2.4491058636,0.0550396428,0.0550396428,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_4i_2i_4i_16i:B-Li-Mn-O, expected LiMn2(BO4)2 to be Li2Mn3(BO3)3" +mp-850410,Li2Mn3(BO3)3,-8.0945557018,-2.455598918,0.0485465884,0.0485465884,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_6i_4i_5i_18i:B-Li-Mn-O, expected Li4Mn5(BO3)6 to be Li2Mn3(BO3)3" +mp-850965,Li2Mn3(BO3)3,-8.087721373800001,-2.4487645901,0.0553809163,0.0553809163,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_3i_5i_17i:B-Li-Mn-O, expected Li3Mn5B5O17 to be Li2Mn3(BO3)3" +mp-850784,Li2Mn3(BO3)3,-8.0937406594,-2.4547838757,0.0493616307,0.0493616307,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_3i_5i_17i:B-Li-Mn-O, expected Li3Mn5B5O17 to be Li2Mn3(BO3)3" +mp-850998,Li2Mn3(BO3)3,-8.0842036003,-2.4452468166,0.0588986898,0.0588986898,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_4i_2i_5i_16i:B-Li-Mn-O, expected Li2Mn5(BO4)4 to be Li2Mn3(BO3)3" +mp-780102,Li2Mn3(BO3)3,-8.1022203647,-2.463263581,0.0408819254,0.0408819254,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_4i_4i_5i_18i:B-Li-Mn-O, expected Li4Mn5(B2O9)2 to be Li2Mn3(BO3)3" +mp-780111,Li2Mn3(BO3)3,-8.0854244474,-2.4464676636,0.0576778428,0.0576778428,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_4i_5i_18i:B-Li-Mn-O, expected Li4Mn5B5O18 to be Li2Mn3(BO3)3" +mp-780149,Li2Mn3(BO3)3,-8.0904625609,-2.4515057772,0.0526397292,0.0526397292,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_2i_5i_18i:B-Li-Mn-O, expected Li2Mn5B5O18 to be Li2Mn3(BO3)3" +mp-780197,Li2Mn3(BO3)3,-8.0813595094,-2.4424027257,0.0617427807,0.0617427807,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_3i_5i_17i:B-Li-Mn-O, expected Li3Mn5B5O17 to be Li2Mn3(BO3)3" +mp-780512,Li2Mn3(BO3)3,-8.0888211688,-2.4498643851,0.0542811213,0.0542811213,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_2i_6i_17i:B-Li-Mn-O, expected Li2Mn6B5O17 to be Li2Mn3(BO3)3" +mp-780135,Li2Mn3(BO3)3,-8.1012293629,-2.4622725792,0.0418729272,0.0418729272,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_3i_5i_17i:B-Li-Mn-O, expected Li3Mn5B5O17 to be Li2Mn3(BO3)3" +mp-781955,Li2Mn3(BO3)3,-8.0848827518,-2.445925968,0.0582195384,0.0582195384,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_3i_5i_17i:B-Li-Mn-O, expected Li3Mn5B5O17 to be Li2Mn3(BO3)3" +mp-850881,Li2Mn3(BO3)3,-8.1019533394,-2.4629965557,0.0411489507,0.0411489507,GGA+U,P-1,A3B2C3D9_aP34_2_3i_2i_3i_9i:B-Li-Mn-O,34.0,"Invalid WP multiplicities - A3B2C3D9_aP34_2_5i_2i_5i_18i:B-Li-Mn-O, expected Li2Mn5B5O18 to be Li2Mn3(BO3)3" +mp-849609,Li2Mn3(BO3)3,-8.0649051049,-2.4259483211,0.0781971853,0.0781971853,GGA+U,Pm,A3B2C3D9_mP68_6_2a2b4c_2a2b2c_6c_6a6b12c:B-Li-Mn-O,68.0,"Invalid WP multiplicities - A3B2C3D9_mP68_6_2a2b7c_2a2b3c_7c_6a6b17c:B-Li-Mn-O, expected Li5Mn7B9O23 to be Li2Mn3(BO3)3" +mp-849540,Li2Mn3(BO3)3,-8.0634117088,-2.4244549251,0.0796905813,0.0796905813,GGA+U,Pm,A3B2C3D9_mP34_6_2a2bc_2a2b_3c_6a6b3c:B-Li-Mn-O,34.0,A3B2C3D9_mP34_6_2a2bc_2a2b_3c_6a6b3c:B-Li-Mn-O +mp-849554,Li2Mn3(BO3)3,-8.0672510007,-2.428294217,0.0758512894,0.0758512894,GGA+U,Cm,A3B2C3D9_mC136_8_4a4b_4a2b_6b_12a12b:B-Li-Mn-O,68.0,"Invalid WP multiplicities - A3B2C3D9_mC136_8_4a6b_4a3b_9b_12a19b:B-Li-Mn-O, expected Li5Mn9B8O25 to be Li2Mn3(BO3)3" +mp-779555,Li2Mn3(BO3)3,-8.0617918841,-2.4228351004,0.081310406,0.081310406,GGA+U,Cm,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O,68.0,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O +mp-778358,Li2Mn3(BO3)3,-8.0629420976,-2.4239853139,0.0801601925,0.0801601925,GGA+U,Cm,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O,68.0,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O +mp-778254,Li2Mn3(BO3)3,-8.0636713838,-2.4247146001,0.0794309063,0.0794309063,GGA+U,Cm,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O,68.0,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O +mp-849624,Li2Mn3(BO3)3,-8.0630479174,-2.4240911336,0.0800543728,0.0800543728,GGA+U,Cm,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O,68.0,"Invalid WP multiplicities - A3B2C3D9_mC136_8_8a4b_8a_11b_24a12b:B-Li-Mn-O, expected Li4Mn11(BO3)8 to be Li2Mn3(BO3)3" +mp-849611,Li2Mn3(BO3)3,-8.0637513612,-2.4247945775,0.0793509289,0.0793509289,GGA+U,Cm,A3B2C3D9_mC136_8_8a2b_8a_6b_24a6b:B-Li-Mn-O,68.0,"Invalid WP multiplicities - A3B2C3D9_mC136_8_8a4b_8a_11b_24a12b:B-Li-Mn-O, expected Li4Mn11(BO3)8 to be Li2Mn3(BO3)3" +mp-776587,Li2Mn3(BO3)3,-8.0720017092,-2.4330449255,0.0711005809,0.0711005809,GGA+U,P3_2,A3B2C3D9_hP51_145_3a_2a_3a_9a:B-Li-Mn-O,51.0,"Invalid WP multiplicities - A3B2C3D9_hP51_145_6a_5a_7a_24a:B-Li-Mn-O, expected Li5Mn7(BO4)6 to be Li2Mn3(BO3)3" +mp-772525,Li6Fe(BO3)3,-6.883268268,-2.4368507878,0.070484869,0.070484869,GGA+U,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Fe-Li-O,76.0,"Invalid WP multiplicities - A3BC6D9_mP76_14_9e_e_23e_33e:B-Fe-Li-O, expected Li23Fe(B3O11)3 to be Li6Fe(BO3)3" +mp-761220,Li7Fe8(BO3)8,-7.6998395083,-2.3109396576,0.0208281415,0.0208281415,GGA+U,P1,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O,47.0,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O +mp-849710,Li7Fe8(BO3)8,-7.7048649672,-2.3159651165,0.0158026826,0.0158026826,GGA+U,P1,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O,47.0,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O +mp-764896,Li7Fe8(BO3)8,-7.6993296021,-2.3104297514,0.0213380477,0.0213380477,GGA+U,P1,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O,47.0,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O +mp-1176890,Li7Fe8(BO3)8,-7.7085161723,-2.3196163216,0.0121514775,0.0121514775,GGA+U,P1,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O,47.0,A8B8C7D24_aP47_1_8a_8a_7a_24a:B-Fe-Li-O +mp-781628,Li7Mn8(BO3)8,-7.9917805802,-2.4850945028,0.0259348157,0.0259348157,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-777865,Li7Mn8(BO3)8,-7.9912043577,-2.4845182802,0.0265110382,0.0265110382,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-778813,Li7Mn8(BO3)8,-7.9911454889,-2.4844594115,0.026569907,0.026569907,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779028,Li7Mn8(BO3)8,-7.9921533119,-2.4854672345,0.025562084,0.025562084,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779303,Li7Mn8(BO3)8,-7.9917797696,-2.4850936921,0.0259356263,0.0259356263,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779313,Li7Mn8(BO3)8,-7.9909484591,-2.4842623817,0.0267669367,0.0267669367,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779296,Li7Mn8(BO3)8,-7.9915081636,-2.4848220862,0.0262072323,0.0262072323,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779356,Li7Mn8(BO3)8,-7.9909711506,-2.4842850732,0.0267442453,0.0267442453,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-777404,Li7Mn8(BO3)8,-7.9916490847,-2.4849630072,0.0260663112,0.0260663112,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-779060,Li7Mn8(BO3)8,-7.9916664749,-2.4849803974,0.026048921,0.026048921,GGA+U,P1,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O,47.0,A8B7C8D24_aP47_1_8a_7a_8a_24a:B-Li-Mn-O +mp-771061,MnFeBO4,-8.4864890964,-2.186748651,0.0589975949,0.0589975949,GGA+U,Pm,ABCD4_mP28_6_2a2b_2a2b_2a2b_8a8b:B-Fe-Mn-O,28.0,ABCD4_mP28_6_2a2b_2a2b_2a2b_8a8b:B-Fe-Mn-O +mp-1176443,MnFeBO4,-8.5118081068,-2.2120676614,0.0336785846,0.0336785846,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:B-Fe-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_13c:B-Fe-Mn-O, expected MnFeBO13 to be MnFeBO4" +mp-771018,Li2MnBO4,-7.28275557,-2.3520046148,0.0975617847,0.0975617847,GGA+U,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:B-Li-Mn-O,32.0,"Invalid WP multiplicities - AB2CD4_mP32_14_e_3e_e_11e:B-Li-Mn-O, expected Li3MnBO11 to be Li2MnBO4" +mp-768436,Li2MnBO4,-7.2708894325,-2.3401384773,0.1094279222,0.1094279222,GGA+U,Pnma,AB2CD4_oP32_62_c_d_c_2cd:B-Li-Mn-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_62_c_d_c_7c3d:B-Li-Mn-O, expected Li2MnBO13 to be Li2MnBO4" +mp-760269,Li5Fe2(BO4)2,-6.9457173244,-2.2741320312,0.0594481837,0.0594481837,GGA+U,Pc,A2B2C5D8_mP34_7_2a_2a_5a_8a:B-Fe-Li-O,34.0,"Invalid WP multiplicities - A2B2C5D8_mP34_7_2a_4a_7a_14a:B-Fe-Li-O, expected Li7Fe4(BO7)2 to be Li5Fe2(BO4)2" +mp-754048,LiMnBO4,-7.6604790011,-2.298038319,0.0688906472,0.0688906472,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:B-Li-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_a_c_6c3d:B-Li-Mn-O, expected LiMnBO12 to be LiMnBO4" +mp-1176642,LiMnBO4,-7.6691130893,-2.3066724072,0.060256559,0.060256559,GGA+U,Pnma,ABCD4_oP28_62_c_c_a_2cd:B-Li-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_a_7c2d:B-Li-Mn-O, expected LiMnBO11 to be LiMnBO4" +mp-766479,Li4MnFe2(BO3)4,-7.6122475926,-2.4028745145,0.0612965983,0.0612965983,GGA+U,Pc,A4B2C4DE12_mP46_7_4a_2a_4a_a_12a:B-Fe-Li-Mn-O,46.0,"Invalid WP multiplicities - A4B2C4DE12_mP46_7_8a_4a_8a_a_24a:B-Fe-Li-Mn-O, expected Li8MnFe4(BO3)8 to be Li4MnFe2(BO3)4" +mp-776601,Li3FeB8O15,-7.9058950452,-2.6528485768,0.0637291498,0.0637291498,GGA+U,P2_1/c,A8BC3D15_mP108_14_8e_e_3e_15e:B-Fe-Li-O,108.0,"Invalid WP multiplicities - A8BC3D15_mP108_14_19e_e_9e_53e:B-Fe-Li-O, expected Li9FeB19O53 to be Li3FeB8O15" +mp-759456,Li9Fe4(BO3)8,-7.2872323496,-2.3268755967,0.0796907398,0.0796907398,GGA+U,P1,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O,45.0,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O +mp-759989,Li9Fe4(BO3)8,-7.2805812882,-2.3202245354,0.0863418012,0.0863418012,GGA+U,P1,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O,45.0,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O +mp-1176790,Li9Fe4(BO3)8,-7.304651506,-2.3442947532,0.0622715834,0.0622715834,GGA+U,P1,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O,45.0,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Fe-Li-O +mp-1176821,Li9Fe4(BO3)8,-7.2978946054,-2.3375378526,0.0690284839,0.0690284839,GGA+U,P1,A8B4C9D24_aP90_1_16a_8a_18a_48a:B-Fe-Li-O,90.0,A8B4C9D24_aP90_1_16a_8a_18a_48a:B-Fe-Li-O +mp-779627,Li6MnFe5(BO3)6,-7.6932446761,-2.3576222881,0.0055133735,0.0055133735,GGA+U,P1,A6B5C6DE18_aP72_1_12a_10a_12a_2a_36a:B-Fe-Li-Mn-O,72.0,A6B5C6DE18_aP72_1_12a_10a_12a_2a_36a:B-Fe-Li-Mn-O +mp-777520,Li6MnFe5(BO3)6,-7.6925142919,-2.3568919039000003,0.0062437576,0.0062437576,GGA+U,Pm,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O +mp-774324,Li6MnFe5(BO3)6,-7.6931002719,-2.3574778839,0.0056577776,0.0056577776,GGA+U,Pm,A6B5C6DE18_mP72_6_ab5c_a3b3c_6c_2a_3a3b15c:B-Fe-Li-Mn-O,72.0,"Invalid WP multiplicities - A6B5C6DE18_mP72_6_ab7c_a3b3c_7c_2a_3a3b23c:B-Fe-Li-Mn-O, expected Li7MnFe5(B4O13)2 to be Li6MnFe5(BO3)6" +mp-779784,Li6MnFe5(BO3)6,-7.6930182668,-2.3573958788,0.0057397828,0.0057397828,GGA+U,Pm,A6B5C6DE18_mP72_6_2a2b4c_5c_3a3b3c_c_6a6b12c:B-Fe-Li-Mn-O,72.0,"Invalid WP multiplicities - A6B5C6DE18_mP72_6_2a2b6c_7c_3a3b6c_c_6a6b18c:B-Fe-Li-Mn-O, expected Li9MnFe7(BO3)8 to be Li6MnFe5(BO3)6" +mp-778494,Li6MnFe5(BO3)6,-7.6923480442,-2.3567256561,0.0064100054,0.0064100054,GGA+U,Pm,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O +mp-779877,Li6MnFe5(BO3)6,-7.6931342428,-2.3575118547,0.0056238068,0.0056238068,GGA+U,Pm,A6B5C6DE18_mP36_6_ab2c_2a3b_3c_a_3a3b6c:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mP36_6_ab2c_2a3b_3c_a_3a3b6c:B-Fe-Li-Mn-O +mp-779011,Li6MnFe5(BO3)6,-7.6922712383,-2.3566488503,0.0064868112,0.0064868112,GGA+U,Pm,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mP36_6_2a4b_5a_6b_a_6a12b:B-Fe-Li-Mn-O +mp-774349,Li6MnFe5(BO3)6,-7.6930595814,-2.3574371933,0.0056984682,0.0056984682,GGA+U,Cm,A6B5C6DE18_mC72_8_2a2b_5a_3b_a_6a6b:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mC72_8_2a2b_5a_3b_a_6a6b:B-Fe-Li-Mn-O +mp-777774,Li6MnFe5(BO3)6,-7.6930814147,-2.3574590267,0.0056766349,0.0056766349,GGA+U,Cm,A6B5C6DE18_mC72_8_2a2b_5a_3b_a_6a6b:B-Fe-Li-Mn-O,36.0,A6B5C6DE18_mC72_8_2a2b_5a_3b_a_6a6b:B-Fe-Li-Mn-O +mp-777570,Li2MnFe(BO3)2,-7.7937078212,-2.4196413175,0.0042121375,0.0042121375,GGA+U,P1,A2BC2DE6_aP24_1_4a_2a_4a_2a_12a:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_1_4a_2a_4a_2a_12a:B-Fe-Li-Mn-O +mp-777856,Li2MnFe(BO3)2,-7.793544821,-2.4194783173,0.0043751377,0.0043751377,GGA+U,P1,A2BC2DE6_aP48_1_8a_4a_8a_4a_24a:B-Fe-Li-Mn-O,48.0,A2BC2DE6_aP48_1_8a_4a_8a_4a_24a:B-Fe-Li-Mn-O +mp-777511,Li2MnFe(BO3)2,-7.7931400487,-2.419073545,0.00477991,0.00477991,GGA+U,P1,A2BC2DE6_aP48_1_8a_4a_8a_4a_24a:B-Fe-Li-Mn-O,48.0,A2BC2DE6_aP48_1_8a_4a_8a_4a_24a:B-Fe-Li-Mn-O +mp-777758,Li2MnFe(BO3)2,-7.7926105429,-2.4185440392,0.0053094158,0.0053094158,GGA+U,P1,A2BC2DE6_aP12_1_2a_a_2a_a_6a:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP12_1_2a_a_2a_a_6a:B-Fe-Li-Mn-O +mp-755710,Li2MnFe(BO3)2,-7.7942397004,-2.4201731967,0.0036802583,0.0036802583,GGA+U,P1,A2BC2DE6_aP24_1_4a_2a_4a_2a_12a:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_1_4a_2a_4a_2a_12a:B-Fe-Li-Mn-O +mp-779471,Li2MnFe(BO3)2,-7.7930221829,-2.4189556792,0.0048977758,0.0048977758,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-779444,Li2MnFe(BO3)2,-7.7925628588,-2.4184963550000003,0.0053571,0.0053571,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-755129,Li2MnFe(BO3)2,-7.7931223296,-2.4190558259,0.0047976292,0.0047976292,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-755990,Li2MnFe(BO3)2,-7.7921717825,-2.4181052788,0.0057481762,0.0057481762,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-779362,Li2MnFe(BO3)2,-7.7923890392,-2.4183225355,0.0055309196,0.0055309196,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-755319,Li2MnFe(BO3)2,-7.7928951412,-2.4188286375,0.0050248175,0.0050248175,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-755800,Li2MnFe(BO3)2,-7.7925063129,-2.4184398092,0.0054136458,0.0054136458,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-780499,Li2MnFe(BO3)2,-7.7924395162,-2.4183730125,0.0054804425,0.0054804425,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-780583,Li2MnFe(BO3)2,-7.7927642158,-2.4186977121,0.0051557429,0.0051557429,GGA+U,P-1,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O,24.0,A2BC2DE6_aP24_2_2i_i_2i_i_6i:B-Fe-Li-Mn-O +mp-774393,Li2MnFe(BO3)2,-7.7931257028,-2.4190591991,0.004794256,0.004794256,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-777815,Li2MnFe(BO3)2,-7.7929909103,-2.4189244066,0.0049290485,0.0049290485,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-779418,Li2MnFe(BO3)2,-7.7930553517,-2.418988848,0.0048646071,0.0048646071,GGA+U,Pm,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O +mp-778202,Li2MnFe(BO3)2,-7.7931143719,-2.4190478682,0.0048055868,0.0048055868,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-779890,Li2MnFe(BO3)2,-7.7928523658,-2.4187858621,0.0050675929,0.0050675929,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-775261,Li2MnFe(BO3)2,-7.7926847925,-2.4186182888,0.0052351663,0.0052351663,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-775281,Li2MnFe(BO3)2,-7.7926109103,-2.4185444066,0.0053090485,0.0053090485,GGA+U,Pm,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_2a4b_3a_6b_3a_6a12b:B-Fe-Li-Mn-O +mp-780483,Li2MnFe(BO3)2,-7.7937906589,-2.4197241552,0.0041292999,0.0041292999,GGA+U,Pm,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O +mp-780497,Li2MnFe(BO3)2,-7.793184565,-2.4191180613,0.0047353938,0.0047353938,GGA+U,Pm,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O,36.0,A2BC2DE6_mP36_6_ab2c_2ab_3c_a2b_3a3b6c:B-Fe-Li-Mn-O +mp-756125,Li2MnFe(BO3)2,-7.7952977267,-2.421231223,0.0026222321,0.0026222321,GGA+U,Cc,A2BC2DE6_mC48_9_2a_a_2a_a_6a:B-Fe-Li-Mn-O,24.0,A2BC2DE6_mC48_9_2a_a_2a_a_6a:B-Fe-Li-Mn-O +mp-754863,Li2MnFe(BO3)2,-7.7946228083,-2.4205563046,0.0032971504,0.0032971504,GGA+U,Cc,A2BC2DE6_mC48_9_2a_a_2a_a_6a:B-Fe-Li-Mn-O,24.0,A2BC2DE6_mC48_9_2a_a_2a_a_6a:B-Fe-Li-Mn-O +mp-1177897,Li2MnFe(BO3)2,-7.7937552392,-2.4196887355,0.0041647196,0.0041647196,GGA+U,P-6,A2BC2DE6_hP36_174_abhi_j_l_k_jk2l:B-Fe-Li-Mn-O,36.0,"Invalid WP multiplicities - A2BC2DE6_hP36_174_abhi_j_l_k_3j3k4l:B-Fe-Li-Mn-O, expected Li2MnFe(BO7)2 to be Li2MnFe(BO3)2" +mp-1650315,Li4Fe(BO3)2,-6.9864254063,-2.4368385997,0.0161284829,0.0161284829,GGA+U,P-1,A2BC4D6_aP52_2_4i_bcdh_8i_12i:B-Fe-Li-O,52.0,"Invalid WP multiplicities - A2BC4D6_aP52_2_7i_abde_14i_21i:B-Fe-Li-O, expected Li14Fe2(BO3)7 to be Li4Fe(BO3)2" +mp-1650136,Li4Fe(BO3)2,-6.9862894158,-2.4367026092,0.0162644735,0.0162644735,GGA+U,P2_1/c,A2BC4D6_mP26_14_e_a_2e_3e:B-Fe-Li-O,26.0,"Invalid WP multiplicities - A2BC4D6_mP26_14_e_a_5e_9e:B-Fe-Li-O, expected Li10Fe(BO9)2 to be Li4Fe(BO3)2" +mp-756503,Li4Fe(BO3)2,-6.9829369075,-2.4333501009000003,0.0196169817,0.0196169817,GGA+U,Pnnm,A2BC4D6_oP26_58_g_a_2g_3g:B-Fe-Li-O,52.0,A2BC4D6_oP26_58_g_a_2g_3g:B-Fe-Li-O +mp-778748,Li3FeBO4,-6.759682925,-2.2415788777,0.0757791839,0.0757791839,GGA+U,I4_1/a,ABC3D4_tI144_88_f_f_3f_4f:B-Fe-Li-O,72.0,"Invalid WP multiplicities - ABC3D4_tI144_88_f_f_14f_21f:B-Fe-Li-O, expected Li14FeBO21 to be Li3FeBO4" +mp-776779,Li2Mn(BO3)2,-7.5265263473,-2.4339102714,0.0764846264,0.0764846264,GGA+U,P2_1/c,A2B2CD6_mP22_14_e_e_a_3e:B-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B2CD6_mP22_14_e_e_a_9e:B-Li-Mn-O, expected Li2Mn(BO9)2 to be Li2Mn(BO3)2" +mp-779312,Li2Mn(BO3)2,-7.521808813,-2.4291927371,0.0812021607,0.0812021607,GGA+U,P2_1/c,A2B2CD6_mP44_14_2e_2e_e_6e:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_14_7e_7e_e_23e:B-Li-Mn-O, expected Li7MnB7O23 to be Li2Mn(BO3)2" +mp-766466,Li2Mn(BO3)2,-7.5184428511,-2.4258267753,0.0845681225,0.0845681225,GGA+U,P2_1/c,A2B2CD6_mP44_14_2e_2e_e_6e:B-Li-Mn-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_14_7e_7e_e_23e:B-Li-Mn-O, expected Li7MnB7O23 to be Li2Mn(BO3)2" +mp-42227,Cs2ZrTlOF5,-5.89150575,-3.170982543,0.016829299,0.016829299,GGA,I4mm,A2B5CDE_tI20_107_b_ac_a_a_a:Cs-F-O-Tl-Zr,10.0,A2B5CDE_tI20_107_b_ac_a_a_a:Cs-F-O-Tl-Zr +mp-1189092,CsZrOF5,-6.0823211144,-3.0889227955,0.2290613291,0.2290613291,GGA,P-1,AB5CD_aP16_2_i_5i_i_i:Cs-F-O-Zr,16.0,AB5CD_aP16_2_i_5i_i_i:Cs-F-O-Zr +mp-17315,Zr3Tl2OF12,-6.8498681072,-3.6136000792,0.0,-0.024225127,GGA,R-3m,A12BC2D3_hR108_166_f3h_c_abc_h:F-O-Tl-Zr,36.0,"Invalid WP multiplicities - A12BC2D3_hR108_166_f4h_c_abc_h:F-O-Tl-Zr, expected Zr3Tl2OF15 to be Zr3Tl2OF12" +mp-1518329,KSmHf2O6,-9.062078112,-3.5197285711,0.1631756715,0.1631756715,GGA,Fm-3m,A2BC6D_cF40_225_c_a_d_b:Hf-K-O-Sm,10.0,A2BC6D_cF40_225_c_a_d_b:Hf-K-O-Sm +mp-631296,KHfNi,-3.6297795,1.986128719,2.332229529,2.332229529,GGA,F-43m,ABC_cF12_216_a_c_b:Hf-K-Ni,3.0,ABC_cF12_216_a_c_b:Hf-K-Ni +mp-1518407,KSmHf4O12,-9.0324155178,-3.1980818657,0.1987114131,0.1987114131,GGA,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Hf-K-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Hf-K-O-Sm, expected KSmHf4O18 to be KSmHf4O12" +mp-1522205,KSm(NiO3)4,-5.7257702889,-0.8196704924,0.4339402635,0.4339402635,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:K-Ni-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:K-Ni-O-Sm, expected KSm(Ni2O9)2 to be KSm(NiO3)4" +mp-2646929,Ce(BH4)3,-4.5696319559,-0.401883393,0.0,-0.127529748,GGA,Pa-3,A3BC12_cP128_205_d_c_4d:B-Ce-H,128.0,"Invalid WP multiplicities - A3BC12_cP128_205_d_c_73d:B-Ce-H, expected Ce(BH73)3 to be Ce(BH4)3" +mp-1223687,Li3Ce4B12(H12Cl)4,-4.3836006989000005,-0.4419553007,0.1307881287,0.1307881287,GGA,C2,A12B4C4D48E3_mC142_5_6c_2c_2c_24c_ac:B-Ce-Cl-H-Li,71.0,"Invalid WP multiplicities - A12B4C4D48E3_mC142_5_12c_3c_3c_48c_ac:B-Ce-Cl-H-Li, expected LiCe2B8(H16Cl)2 to be Li3Ce4B12(H12Cl)4" +mp-1520834,KHf2BiO6,-8.420211333,-2.9656714926000003,0.1466197539,0.1466197539,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Bi-Hf-K-O,10.0,AB2CD6_cF40_225_a_c_b_d:Bi-Hf-K-O +mp-1520905,KHf4BiO12,-8.6671916939,-2.8816412088,0.2397570722,0.2397570722,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Bi-Hf-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Bi-Hf-K-O, expected KHf4BiO18 to be KHf4BiO12" +mp-773137,KCaBi,-3.0250552233,-0.7062259043,0.0,-0.0660309848,GGA,P4/nmm,ABC_tP6_129_c_a_c:Bi-Ca-K,6.0,ABC_tP6_129_c_a_c:Bi-Ca-K +mp-1520522,KCaHfBiO6,-7.245857524,-2.5864765986,0.1180999428,0.1180999428,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Hf-K-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Hf-K-O +mp-1181127,Li2Ga3Te6(HO2)12,-5.61709541,-1.5491122021,0.0583981193,0.0583981193,GGA,R-3,A3B12C2D24E6_hR141_148_ac_2f_c_4f_f:Ga-H-Li-O-Te,47.0,A3B12C2D24E6_hR141_148_ac_2f_c_4f_f:Ga-H-Li-O-Te +mp-1222518,LiTeH5O6,-5.4377327396,-1.4611180279,0.0146143512,0.0146143512,GGA,Pc,A5BC6D_mP52_7_10a_2a_12a_2a:H-Li-O-Te,52.0,"Invalid WP multiplicities - A5BC6D_mP52_7_20a_2a_24a_2a:H-Li-O-Te, expected LiTe(H5O6)2 to be LiTeH5O6" +mp-685906,Li7(Ga3Te5)8,-3.6408248645,-0.6581628879,0.0205147587,0.0205147587,GGA,P1,A24B7C40_aP71_1_24a_7a_40a:Ga-Li-Te,71.0,A24B7C40_aP71_1_24a_7a_40a:Ga-Li-Te +mp-33338,LiGa3Te5,-3.6544536231,-0.6867046896,0.0060602842,0.0060602842,GGA,R3,A3BC5_hR108_146_4b_ab_2a6b:Ga-Li-Te,36.0,"Invalid WP multiplicities - A3BC5_hR108_146_10b_a2b_2a16b:Ga-Li-Te, expected Li7(Ga3Te5)10 to be LiGa3Te5" +mp-543040,Ga2Te3(HO2)6,-5.6893477348,-1.5500985813,0.0303786421,0.0303786421,GGA,R3c,A2B6C12D3_hR138_161_2a_2b_4b_b:Ga-H-O-Te,46.0,A2B6C12D3_hR138_161_2a_2b_4b_b:Ga-H-O-Te +mp-696949,Li3TeHO4,-5.50390478,-1.9428430707,0.0,-0.0014584308,GGA,P2_1/m,AB3C4D_mP18_11_e_ef_2ef_e:H-Li-O-Te,18.0,AB3C4D_mP18_11_e_ef_2ef_e:H-Li-O-Te +mp-760684,LiTeHO4,-5.5972549771,-1.5641535986,0.0721703786,0.0721703786,GGA,P2_1,ABC4D_mP14_4_a_a_4a_a:H-Li-O-Te,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_8a_a:H-Li-O-Te, expected LiTeHO8 to be LiTeHO4" +mp-756477,LiTeHO4,-5.6015566807,-1.5684553021,0.0678686751,0.0678686751,GGA,Pm,ABC4D_mP14_6_ab_c_2a2b2c_ab:H-Li-O-Te,14.0,ABC4D_mP14_6_ab_c_2a2b2c_ab:H-Li-O-Te +mp-5048,LiGaTe2,-3.6456184775,-0.8397108085,0.0,-0.0301605602,GGA,I-42d,ABC2_tI16_122_a_b_d:Ga-Li-Te,8.0,ABC2_tI16_122_a_b_d:Ga-Li-Te +mp-1199246,Ba5B3BrO9,-7.3377068539,-3.1318025903,0.0,-0.0170858597,GGA,C222_1,A3B5CD9_oC72_20_ac_a2bc_b_a4c:B-Ba-Br-O,36.0,A3B5CD9_oC72_20_ac_a2bc_b_a4c:B-Ba-Br-O +mp-1194795,Ba7GeB3BrO13,-7.2108058865,-3.0526455135,0.0022971548,0.0022971548,GGA,Pbam,A3B7CDE13_oP100_55_gi_efg2hi_g_h_g2h5i:B-Ba-Br-Ge-O,100.0,A3B7CDE13_oP100_55_gi_efg2hi_g_h_g2h5i:B-Ba-Br-Ge-O +mp-1200496,Ba3B(BrO)3,-6.1460959745,-2.952549203,0.0,-0.0188026862,GGA,P-1,AB3C3D3_aP40_2_2i_6i_be5i_6i:B-Ba-Br-O,40.0,AB3C3D3_aP40_2_2i_6i_be5i_6i:B-Ba-Br-O +mp-631556,BaGe2B,-3.7229289,0.7381767052,1.1891622895,1.1891622895,GGA,F-43m,ABC2_cF16_216_a_c_bd:B-Ba-Ge,4.0,ABC2_cF16_216_a_c_bd:B-Ba-Ge +mp-1214841,Ba2B5BrO9,-7.9140485462,-3.0135699894,0.0,-0.0089524711,GGA,Pnn2,A5B2CD9_oP68_34_5c_2c_ab_9c:B-Ba-Br-O,68.0,A5B2CD9_oP68_34_5c_2c_ab_9c:B-Ba-Br-O +mp-1194165,Ba3Ge2(B3O8)2,-7.8646871978,-2.8933408817,0.0,-0.0046784561,GGA,P-1,A6B3C2D16_aP27_2_3i_ai_i_8i:B-Ba-Ge-O,27.0,A6B3C2D16_aP27_2_3i_ai_i_8i:B-Ba-Ge-O +mp-1517965,KCaCeMnO6,-7.335981784,-2.5468582298,0.2007330967,0.2007330967,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-K-Mn-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-K-Mn-O +mp-1227511,CaCeMnO4,-8.2800868396,-3.0104498151,0.1839723646,0.1839723646,GGA+U,I-42d,ABCD4_tI56_122_c_c_ab_2ce:Ca-Ce-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_tI56_122_c_c_2a2b_7ce:Ca-Ce-Mn-O, expected CaCeMn2O9 to be CaCeMnO4" +mp-1197930,CsLi2Gd4(BO3)5,-9.4775649394,-3.2325639546,0.0,-0.0004506881,GGA,P2/c,A5BC4D2E15_mP108_13_ef4g_g_ef3g_2g_ef14g:B-Cs-Gd-Li-O,108.0,A5BC4D2E15_mP108_13_ef4g_g_ef3g_2g_ef14g:B-Cs-Gd-Li-O +mp-1200805,CsLi(B3O5)2,-7.9731120215,-2.8426918562,0.0002773318,-0.0221733361,GGA,P222_1,A6BCD10_oP72_17_abcd4e_e_e_abcd8e:B-Cs-Li-O,72.0,"Invalid WP multiplicities - A6BCD10_oI72_24_2ab4d_c_c_2ab7d:B-Cs-Li-O, expected CsLiB11O17 to be CsLi(B3O5)2" +mp-1019715,CsLi(B3O5)2,-7.9733893533,-2.842969188,0.0,-0.0224506679,GGA,I2_12_12_1,A6BCD10_oI72_24_ab2d_c_c_ab4d:B-Cs-Li-O,36.0,"Invalid WP multiplicities - A6BCD10_tI72_122_d2e_a_b_d4e:B-Cs-Li-O, expected CsLi(B5O9)2 to be CsLi(B3O5)2" +mp-5990,CsLi(B3O5)2,-7.9726123467,-2.8421921813,0.0007770067,-0.0216736612,GGA,I-42d,A6BCD10_tI72_122_de_a_b_d2e:B-Cs-Li-O,36.0,A6BCD10_tI72_122_de_a_b_d2e:B-Cs-Li-O +mp-966802,Cs2Li3(BO2)5,-7.2119852605,-2.692914295,0.0062169346,0.0062169346,GGA,C222_1,A5B2C3D10_oC80_20_a2c_ab_ac_5c:B-Cs-Li-O,40.0,A5B2C3D10_oC80_20_a2c_ab_ac_5c:B-Cs-Li-O +mp-16699,Li6Gd(BO3)3,-7.5500721536,-2.8085967244,0.0029604976,0.0029604976,GGA,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Gd-Li-O,76.0,"Invalid WP multiplicities - A3BC6D9_mP76_14_3e_e_9e_12e:B-Gd-Li-O, expected Li9Gd(BO4)3 to be Li6Gd(BO3)3" +mp-1019607,Cs2Li5(BO2)7,-7.2599716423,-2.7119429484,0.0021921706,0.0021921706,GGA,Ama2,A7B2C5D14_oC112_40_b3c_c_b2c_2b6c:B-Cs-Li-O,56.0,A7B2C5D14_oC112_40_b3c_c_b2c_2b6c:B-Cs-Li-O +mp-559706,Li3Gd(BO3)2,-8.1974568652,-2.9606396444,0.0,-0.008043545,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Gd-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_6e_e_8e_21e:B-Gd-Li-O, expected Li8Gd(B2O7)3 to be Li3Gd(BO3)2" +mp-1019716,CsLi4(BO2)5,-7.2951350262,-2.725388036,0.0,-0.0054399657,GGA,P2_1/c,A5BC4D10_mP80_14_5e_e_4e_10e:B-Cs-Li-O,80.0,A5BC4D10_mP80_14_5e_e_4e_10e:B-Cs-Li-O +mp-581285,LiGd6B3O14,-10.8584826003,-3.5394212013,0.0081459556,0.0081459556,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Gd-Li-O,96.0,"Invalid WP multiplicities - A3B6CD14_mP96_14_10e_21e_e_53e:B-Gd-Li-O, expected LiGd21B10O53 to be LiGd6B3O14" +mp-1019615,Cs3Li4(BO2)7,-7.2072117906,-2.6953802572,0.0,-0.0040745576,GGA,P3_121,A7B3C4D14_hP84_152_a3c_bc_2c_2a6c:B-Cs-Li-O,84.0,A7B3C4D14_hP84_152_a3c_bc_2c_2a6c:B-Cs-Li-O +mp-555082,CsLi5(BO3)2,-6.3198891479,-2.4999653968,0.0,-0.0138678339,GGA,C2/c,A2BC5D6_mC56_15_f_e_a2f_3f:B-Cs-Li-O,28.0,"Invalid WP multiplicities - A2BC5D6_mC56_15_f_e_2a7f_8f:B-Cs-Li-O, expected CsLi16(BO8)2 to be CsLi5(BO3)2" +mp-1194658,Ba7GeB3ClO13,-7.2419522022,-3.071971496,0.0078956799,0.0078956799,GGA,Pbam,A3B7CDE13_oP100_55_gi_efg2hi_g_h_g2h5i:B-Ba-Cl-Ge-O,100.0,A3B7CDE13_oP100_55_gi_efg2hi_g_h_g2h5i:B-Ba-Cl-Ge-O +mp-1194958,Ba4B10Cl2O19,-7.7809871676,-2.8623021304,0.1166345995,0.1166345995,GGA,Pnn2,A10B4C2D19_oP70_34_5c_2c_ab_a9c:B-Ba-Cl-O,70.0,A10B4C2D19_oP70_34_5c_2c_ab_a9c:B-Ba-Cl-O +mp-1201345,Ba5B3ClO9,-7.388741355,-3.166419962,0.0,-0.0301248424,GGA,C222_1,A3B5CD9_oC72_20_ac_a2bc_b_a4c:B-Ba-Cl-O,36.0,A3B5CD9_oC72_20_ac_a2bc_b_a4c:B-Ba-Cl-O +mp-555742,Ba2B5ClO9,-7.9751194276,-3.0572580279,0.0,-0.0233837885,GGA,Pnn2,A5B2CD9_oP68_34_5c_2c_ab_9c:B-Ba-Cl-O,68.0,"Invalid WP multiplicities - A5B2CD9_oP68_34_15c_5c_2ab_33c:B-Ba-Cl-O, expected Ba10B30(ClO22)3 to be Ba2B5ClO9" +mp-1020637,Sr3BeB6O13,-8.052648622,-3.1312922265,0.0,-0.0058281042,GGA,Pnma,A6BC13D3_oP92_62_2c2d_c_3c5d_cd:B-Be-O-Sr,92.0,A6BC13D3_oP92_62_2c2d_c_3c5d_cd:B-Be-O-Sr +mp-558981,SrBe2(BO3)2,-7.8614108898,-3.1152986177,0.0076965373,0.0076965373,GGA,P2_1/c,A2B2C6D_mP44_14_2e_2e_6e_e:B-Be-O-Sr,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_14_5e_6e_20e_e:B-Be-O-Sr, expected SrBe6(BO4)5 to be SrBe2(BO3)2" +mp-10814,SrLiBO3,-7.1867096971,-3.0003973263,0.0,-0.022577476,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:B-Li-O-Sr,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_6e_e:B-Li-O-Sr, expected SrLiBO6 to be SrLiBO3" +mp-1020647,Sr2LiBeB3O8,-7.662201450299999,-3.0862676076,0.0,-0.0097111567,GGA,P2_1/c,A3BCD8E2_mP60_14_3e_e_e_8e_2e:B-Be-Li-O-Sr,60.0,A3BCD8E2_mP60_14_3e_e_e_8e_2e:B-Be-Li-O-Sr +mp-556498,Sr2Be2B2O7,-7.6974782415,-3.1710615371,0.0054582771,0.0054582771,GGA,P-6c2,A2B2C7D2_hP26_188_i_h_cl_ab:B-Be-O-Sr,26.0,"Invalid WP multiplicities - A2B2C7D2_hP26_188_i_h_2c2l_a2b:B-Be-O-Sr, expected Sr3Be2(BO7)2 to be Sr2Be2B2O7" +mp-1020725,Sr4Li2B12O23,-8.0085780645,-3.0207155973,0.0025386791,0.0025386791,GGA,P2_1/c,A12B2C23D4_mP82_14_6e_e_a11e_2e:B-Li-O-Sr,82.0,A12B2C23D4_mP82_14_6e_e_a11e_2e:B-Li-O-Sr +mp-1018783,LiBeB,-4.231935205,-0.1226927042,0.0,-0.012145,GGA,P2_1/m,ABC_mP6_11_e_e_e:B-Be-Li,6.0,ABC_mP6_11_e_e_e:B-Be-Li +mp-1102755,LiBeB,-3.9281229,0.1811196008,0.303812305,0.291667305,GGA,Imm2,ABC_oI24_44_abc_2c_abc:B-Be-Li,12.0,ABC_oI24_44_abc_2c_abc:B-Be-Li +mp-1103047,LiBeB,-4.1154412508,-0.00619875,0.1164939542,0.1043489542,GGA,P3m1,ABC_hP12_156_2abc_a2bc_ab2c:B-Be-Li,12.0,ABC_hP12_156_2abc_a2bc_ab2c:B-Be-Li +mp-1020026,LiBeBO3,-7.3869286442,-2.8589630381,0.0012854037,0.0012854037,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:B-Be-Li-O,12.0,ABCD3_aP12_2_i_i_i_3i:B-Be-Li-O +mp-1210986,Li14Be6(BO3)9,-7.0817226804,-2.7453562793,0.0,-0.0063364907,GGA,P6_3/m,A9B6C14D27_hP112_176_e2fh_i_cd2i_h4i:B-Be-Li-O,112.0,A9B6C14D27_hP112_176_e2fh_i_cd2i_h4i:B-Be-Li-O +mp-18495,SrLi(B3O5)3,-8.2339027863,-2.9295461353,0.0,-0.0116263591,GGA,R3c,A9BC15D_hR156_161_3b_a_5b_a:B-Li-O-Sr,52.0,"Invalid WP multiplicities - A9BC15D_hR156_161_7b_a_10b_a:B-Li-O-Sr, expected SrLi(B7O10)3 to be SrLi(B3O5)3" +mp-554003,Sr4Li(BO3)3,-7.4493919397,-3.142023093,0.0174610116,0.0174610116,GGA,Ia-3d,A3BC9D4_cI272_230_g_b_gh_af:B-Li-O-Sr,136.0,"Invalid WP multiplicities - A3BC9D4_cI272_230_g_b_18g18h_4a5f:B-Li-O-Sr, expected Sr19Li(BO54)3 to be Sr4Li(BO3)3" +mp-1020654,SrBeB2O5,-7.9630106914,-3.1273292007,0.0,-0.0001555338,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:B-Be-O-Sr,36.0,A2BC5D_mP36_14_2e_e_5e_e:B-Be-O-Sr +mp-1103778,HoWClO4,-8.3528325807,-2.7562853514,0.0264798839,0.0264798839,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Ho-O-W,14.0,ABC4D_mC28_12_i_i_2ij_i:Cl-Ho-O-W +mp-2230152,Ho6MgWO12,-8.605924563,-3.5352681612,0.1200534185,0.1200534185,GGA+U,P1,A6BC12D_aP20_1_6a_a_12a_a:Ho-Mg-O-W,20.0,A6BC12D_aP20_1_6a_a_12a_a:Ho-Mg-O-W +mp-2230046,Ho6MgWO12,-8.6177091335,-3.5470527318,0.108268848,0.108268848,GGA+U,R3,A6BC12D_hR60_146_2b_a_4b_a:Ho-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_146_4b_a_6b_a:Ho-Mg-O-W, expected Ho12MgWO18 to be Ho6MgWO12" +mp-2229997,Ho6MgWO12,-8.664593062,-3.5939366602,0.0613849195,0.0613849195,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:Ho-Mg-O-W,20.0,A6BC12D_hR60_148_f_a_2f_b:Ho-Mg-O-W +mp-1041135,HoMg(WO3)2,-8.7338359155,-2.5559277508,0.16970855,0.16970855,GGA+U,Pm,ABC6D2_mP20_6_ab_ab_2a2b4c_2c:Ho-Mg-O-W,20.0,ABC6D2_mP20_6_ab_ab_2a2b4c_2c:Ho-Mg-O-W +mp-2226888,MgWCl4O,-5.6215856843,-1.7788363084,0.0998005379,0.0998005379,GGA+U,Cm,A4BCD_mC14_8_4a_a_a_a:Cl-Mg-O-W,7.0,A4BCD_mC14_8_4a_a_a_a:Cl-Mg-O-W +mp-2228106,MgWCl4O,-5.5287998971,-1.6860505212,0.192586325,0.192586325,GGA+U,I-4,A4BCD_tI14_82_g_c_a_b:Cl-Mg-O-W,7.0,A4BCD_tI14_82_g_c_a_b:Cl-Mg-O-W +mp-2223701,MgW2(ClO)4,-6.7302511664,-1.7577564395,0.2462244461,0.2462244461,GGA+U,Pmm2,A4BC4D2_oP11_25_2e_d_2a2b_2a:Cl-Mg-O-W,11.0,A4BC4D2_oP11_25_2e_d_2a2b_2a:Cl-Mg-O-W +mp-2227208,Ho2MgW2(ClO4)2,-7.996133434,-2.6660040167,0.1876012443,0.1876012443,GGA+U,C2,A2B2CD8E2_mC30_5_c_c_a_4c_c:Cl-Ho-Mg-O-W,15.0,"Invalid WP multiplicities - A2B2CD8E2_mC30_5_c_c_a_5c_c:Cl-Ho-Mg-O-W, expected Ho2MgW2(ClO5)2 to be Ho2MgW2(ClO4)2" +mp-1212290,K2MnBi2,-3.325756542,0.4870017472,0.7867194119,0.7867194119,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Bi-K-Mn,5.0,A2B2C_aP5_2_i_i_a:Bi-K-Mn +mp-1018739,KMnBi,-4.7209853067,-0.0166841836,0.2330805369,0.2330805369,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-K-Mn,6.0,ABC_tP6_129_c_c_a:Bi-K-Mn +mp-568872,InSi2As(H3C)8,-4.994447936,-0.1745538467,0.0727738433,0.0727738433,GGA,P-1,AB8C24DE2_aP72_2_i_8i_24i_i_2i:As-C-H-In-Si,72.0,"Invalid WP multiplicities - AB8C24DE2_aP72_2_i_15i_48i_i_3i:As-C-H-In-Si, expected InSi3As(H16C5)3 to be InSi2As(H3C)8" +mp-1197341,Si3As(H3C)9,-5.0978798554,-0.2079632269,0.0322594789,0.0322594789,GGA,P2_1/c,AB9C27D3_mP160_14_e_9e_27e_3e:As-C-H-Si,160.0,AB9C27D3_mP160_14_e_9e_27e_3e:As-C-H-Si +mp-1519934,Ba2GdWO6,-9.1054714177,-3.050237956,0.0296167443,0.0296167443,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Gd-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Gd-O-W +mp-1519973,Ba2GdWO6,-9.098115719,-3.0428822573,0.036972443,0.036972443,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Gd-O-W +mp-1516849,BaNaGdWO6,-8.891730334,-2.8961418369,0.0153866769,0.0153866769,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Gd-Na-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Gd-Na-O-W, expected BaNa2GdWO12 to be BaNaGdWO6" +mp-1517014,BaNaGdWO6,-8.887777544,-2.8921890469,0.0193394669,0.0193394669,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-Na-O-W +mp-1228581,Ba4Na2W2O11,-7.4874977826,-2.7164037494,0.0,-0.0396593285,GGA+U,Amm2,A4B2C11D2_oC38_38_f_ab_2ab2cde_ab:Ba-Na-O-W,19.0,A4B2C11D2_oC38_38_f_ab_2ab2cde_ab:Ba-Na-O-W +mp-1519598,SrMnSnWO6,-8.009972468,-2.2600381582,0.1154652933,0.1154652933,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Sn-Sr-W,10.0,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Sn-Sr-W +mp-22610,Mn2SnW,-8.6590117425,0.1639214248,0.1639214248,0.1639214248,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Sn-W,4.0,A2BC_cF16_225_c_a_b:Mn-Sn-W +mp-865124,NaSr2In,-2.084127315,-0.2208283325,0.0187948278,0.0187948278,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Na-Sr,4.0,ABC2_cF16_225_a_b_c:In-Na-Sr +mp-1520101,NaIn(WO3)2,-7.813114252,-1.8460540769,0.1954207238,0.1954207238,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_d_c:In-Na-O-W,10.0,ABC6D2_cF40_225_a_b_d_c:In-Na-O-W +mp-1520495,NaSrInWO6,-7.236038104,-2.3958416066,0.0468792615,0.0468792615,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Sr-W +mp-1520931,Sr2InWO6,-7.398306589,-2.5214132756,0.1394213806,0.1394213806,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-W +mp-20678,NaIn(WO4)2,-7.9808392792,-2.1838410147,0.0,-0.0113608846,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:In-Na-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mP24_13_e_f_15g_g:In-Na-O-W, expected NaIn(WO15)2 to be NaIn(WO4)2" +mp-1013843,NaMo2P2O9,-8.0512975554,-2.4541097748,0.0,-0.0044741921,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Mo-Na-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Mo-Na-O-P, expected NaMo2P2O11 to be NaMo2P2O9" +mp-18435,NaMoP2O7,-7.8044808545,-2.566153455,0.0,-0.0454874606,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Mo-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Mo-Na-O-P +mp-557638,NaMo2P3O13,-7.8892464987,-2.4386840629,0.0053196411,-0.0052987888,GGA+U,P-1,A2BC13D3_aP38_2_2i_i_13i_3i:Mo-Na-O-P,38.0,"Invalid WP multiplicities - A2BC13D3_aP38_2_4i_i_26i_5i:Mo-Na-O-P, expected NaMo4P5O26 to be NaMo2P3O13" +mp-559036,NaMo2P3O13,-7.8945661397,-2.444003704,0.0,-0.0106184298,GGA+U,P2_1/c,A2BC13D3_mP76_14_2e_e_13e_3e:Mo-Na-O-P,76.0,"Invalid WP multiplicities - A2BC13D3_mP76_14_4e_e_45e_8e:Mo-Na-O-P, expected NaMo4P8O45 to be NaMo2P3O13" +mp-1221323,Na3Mo4P5O24,-7.7897641411,-2.424841421,0.0,-0.0060474143,GGA+U,Cc,A4B3C24D5_mC144_9_4a_3a_24a_5a:Mo-Na-O-P,72.0,"Invalid WP multiplicities - A4B3C24D5_mC144_9_6a_4a_36a_7a:Mo-Na-O-P, expected Na4Mo6P7O36 to be Na3Mo4P5O24" +mp-1012678,NaMo3P3O13,-8.1398551538,-2.4195383343,0.0047340133,0.0047340133,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Mo-Na-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Mo-Na-O-P, expected NaMo5P3O34 to be NaMo3P3O13" +mp-505102,NaMo3P3O16,-7.9751832511,-2.3557744457,0.0,-0.0019407473,GGA+U,P-1,A3BC16D3_aP46_2_3i_i_16i_3i:Mo-Na-O-P,46.0,A3BC16D3_aP46_2_3i_i_16i_3i:Mo-Na-O-P +mp-1210390,Na2TmMoPO8,-7.625176751,-2.7826114958,0.0039311817,0.0039311817,GGA+U,Ibca,AB2C8DE_oI104_73_d_f_4f_c_c:Mo-Na-O-P-Tm,52.0,AB2C8DE_oI104_73_d_f_4f_c_c:Mo-Na-O-P-Tm +mp-622295,NaMo(PO4)2,-7.687627864199999,-2.4736036886,0.0115963014,0.0115963014,GGA+U,P2_12_12_1,ABC8D2_oP48_19_a_a_8a_2a:Mo-Na-O-P,48.0,"Invalid WP multiplicities - ABC8D2_oP48_19_a_a_31a_4a:Mo-Na-O-P, expected NaMoP4O31 to be NaMo(PO4)2" +mp-1210232,NaMo3(PO7)2,-7.9624648142,-2.2654786845,0.0025484499,0.0025484499,GGA+U,P2_1/m,A3BC14D2_mP40_11_3e_e_8e3f_2e:Mo-Na-O-P,40.0,A3BC14D2_mP40_11_3e_e_8e3f_2e:Mo-Na-O-P +mp-1220983,NaMo2(P2O7)2,-7.9660649357,-2.5412707692,0.0,-0.003054911,GGA+U,P1,A2BC14D4_aP21_1_2a_a_14a_4a:Mo-Na-O-P,21.0,A2BC14D4_aP21_1_2a_a_14a_4a:Mo-Na-O-P +mp-541674,NaMo2(PO4)3,-7.9562674264,-2.4777120059,0.0071462447,0.0071462447,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Mo-Na-O-P,36.0,A2BC12D3_hR108_167_c_b_2f_e:Mo-Na-O-P +mp-21798,NaMoPO6,-7.5995193253,-2.3482293055,0.0,-0.0248032976,GGA+U,P2_1/c,ABC6D_mP72_14_2e_2e_12e_2e:Mo-Na-O-P,72.0,"Invalid WP multiplicities - ABC6D_mP72_14_2e_2e_15e_2e:Mo-Na-O-P, expected Na2Mo2P2O15 to be NaMoPO6" +mp-1379862,MgCuP2O7,-7.1346342209,-2.4843694289,0.0296516805,0.0247617239,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cu-Mg-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Cu-Mg-O-P +mp-1041741,MgCuP2O7,-7.1642859014,-2.5140211094,0.0,-0.0048899566,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cu-Mg-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_8i_2i:Cu-Mg-O-P, expected MgCu(PO4)2 to be MgCuP2O7" +mp-1044124,MgCuP2O7,-7.1370859025,-2.4868211105,0.0271999989,0.0223100423,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cu-Mg-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Cu-Mg-O-P, expected MgCuP7O23 to be MgCuP2O7" +mp-1226928,CdCuP2O7,-6.7339180909,-2.1452342344,0.0439114014,0.0439114014,GGA,C2,ABC7D2_mC22_5_a_a_b3c_c:Cd-Cu-O-P,11.0,ABC7D2_mC22_5_a_a_b3c_c:Cd-Cu-O-P +mp-7352,MgCuP,-4.1341837092,-0.4299206336,0.0,-0.0408413213,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Mg-P,12.0,ABC_oP12_62_c_c_c:Cu-Mg-P +mp-1227011,Cd3(CuP5)2,-4.454554992,-0.1145478129,0.0033022643,0.0033022643,GGA,R3m,A3B2C10_hR45_160_b_2a_a3b:Cd-Cu-P,15.0,A3B2C10_hR45_160_b_2a_a3b:Cd-Cu-P +mp-1035261,Mg14CdCuO16,-6.1043183175,-2.7739109266,0.0426730103,0.0426730103,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cd-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cd-Cu-Mg-O, expected Mg18CdCuO20 to be Mg14CdCuO16" +mp-1035240,Mg14CdCuO16,-6.0996752366,-2.7692678456,0.0473160913,0.0473160913,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cd-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cd-Cu-Mg-O, expected Mg30CdCuO32 to be Mg14CdCuO16" +mp-2229761,MgCu5(PO5)2,-6.2630212372,-1.6858098191000002,0.1678501094,0.1678501094,GGA,P-1,A5BC10D2_aP18_2_b2i_c_5i_i:Cu-Mg-O-P,18.0,"Invalid WP multiplicities - A5BC10D2_aP18_2_b2i_c_6i_i:Cu-Mg-O-P, expected MgCu5(PO6)2 to be MgCu5(PO5)2" +mp-13361,Cd2Cu(PO4)2,-6.4818550577,-2.1476165274,0.0,-0.0153021223,GGA,P-1,A2BC8D2_aP13_2_i_a_4i_i:Cd-Cu-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_aP13_2_i_a_5i_i:Cd-Cu-O-P, expected Cd2Cu(PO5)2 to be Cd2Cu(PO4)2" +mp-1032362,Mg6CdCuO8,-5.8748837481,-2.4875533469,0.0915742275,0.0915742275,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cd-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cd-Cu-Mg-O, expected Mg6CdCuO12 to be Mg6CdCuO8" +mp-1032271,Mg6CdCuO8,-5.8849158012,-2.4975854,0.0815421744,0.0815421744,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cd-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cd-Cu-Mg-O, expected Mg6CdCuO12 to be Mg6CdCuO8" +mp-2218125,MgCu2P2O7,-6.76897032,-2.1646270382,0.1398923121,0.1398923121,GGA,C2,A2BC7D2_mC24_5_2b_a_a3c_c:Cu-Mg-O-P,12.0,A2BC7D2_mC24_5_2b_a_a3c_c:Cu-Mg-O-P +mp-1041169,MgCu3P3O13,-6.6898217683,-1.9675837269,0.0965383227,0.0965383227,GGA,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Cu-Mg-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Cu-Mg-O-P, expected MgCu5P3O34 to be MgCu3P3O13" +mp-2228480,MgCd2Cu(PO4)2,-6.2153230064,-2.0763672248,0.2674395426,0.2674395426,GGA,P1,A2BCD8E2_aP14_1_2a_a_a_8a_2a:Cd-Cu-Mg-O-P,14.0,A2BCD8E2_aP14_1_2a_a_a_8a_2a:Cd-Cu-Mg-O-P +mp-1222038,MgCu2(PO4)2,-6.89385314,-2.2631755944,0.0092162812,0.0092162812,GGA,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Cu-Mg-O-P,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Cu-Mg-O-P +mp-2218927,MgCu2(PO4)2,-6.8172483408,-2.1865707951,0.0858210804,0.0858210804,GGA,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Cu-Mg-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:Cu-Mg-O-P, expected MgCu2(PO6)2 to be MgCu2(PO4)2" +mp-1210907,Mg3Cu2(PO4)3,-6.9867174125,-2.5567461353,0.0499008895,0.0499008895,GGA,C2/c,A2B3C12D3_mC80_15_ae_ef_6f_ef:Cu-Mg-O-P,40.0,A2B3C12D3_mC80_15_ae_ef_6f_ef:Cu-Mg-O-P +mp-2225329,MgCuPO4,-6.6566694429,-2.2424488612,0.2423543257,0.2423543257,GGA,I-4,ABC4D_tI14_82_c_a_g_b:Cu-Mg-O-P,7.0,ABC4D_tI14_82_c_a_g_b:Cu-Mg-O-P +mp-2225309,MgCuPO4,-6.7932042071000005,-2.3789836255,0.1058195614,0.1058195614,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Cu-Mg-O-P,7.0,ABC4D_tI14_82_a_b_g_c:Cu-Mg-O-P +mp-1022076,Mg6CdCu,-1.8289991175,-0.0010270263,0.0883509804,0.0883509804,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Cu-Mg, expected Mg12CdCu to be Mg6CdCu" +mp-1022079,Mg6CdCu,-1.828847365,-0.0008752737,0.0885027329,0.0885027329,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Cu-Mg, expected Mg12CdCu to be Mg6CdCu" +mp-2218584,MgCd2(Cu2O3)2,-4.9264518231,-1.1169888602,0.2120868631,0.2120868631,GGA,P1,A2B4CD6_aP13_1_2a_4a_a_6a:Cd-Cu-Mg-O,13.0,A2B4CD6_aP13_1_2a_4a_a_6a:Cd-Cu-Mg-O +mp-2218281,MgCd2(Cu2O3)2,-4.8376012746,-1.0281383117,0.3009374115,0.3009374115,GGA,Pmm2,A2B4CD6_oP13_25_bc_ef_a_adef:Cd-Cu-Mg-O,13.0,A2B4CD6_oP13_25_bc_ef_a_adef:Cd-Cu-Mg-O +mp-1037248,Mg30CdCuO32,-6.2158561331,-2.9139102473,0.0214018708,0.0214018708,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cd-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cd-Cu-Mg-O, expected Mg90CdCuO80 to be Mg30CdCuO32" +mp-1037331,Mg30CdCuO32,-6.2139718148,-2.9120259291,0.0232861891,0.0232861891,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cd-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cd-Cu-Mg-O, expected Mg110CdCuO72 to be Mg30CdCuO32" +mp-1227291,Cd8Cu7P30,-4.5146787182,-0.1040867189,0.0131332964,0.0131332964,GGA,P1,A8B7C30_aP45_1_8a_7a_30a:Cd-Cu-P,45.0,A8B7C30_aP45_1_8a_7a_30a:Cd-Cu-P +mp-2220327,MgCu10(P3O13)2,-6.5488771216,-1.8119918127,0.0922329076,0.0922329076,GGA,P1,A10BC26D6_aP43_1_10a_a_26a_6a:Cu-Mg-O-P,43.0,A10BC26D6_aP43_1_10a_a_26a_6a:Cu-Mg-O-P +mp-2220275,MgCu10(P3O13)2,-6.5789438753,-1.8420585665,0.0621661538,0.0621661538,GGA,P1,A10BC26D6_aP43_1_10a_a_26a_6a:Cu-Mg-O-P,43.0,A10BC26D6_aP43_1_10a_a_26a_6a:Cu-Mg-O-P +mp-2220421,MgCu10(P3O13)2,-6.5253108114,-1.7884255025,0.1157992178,0.1157992178,GGA,P-1,A10BC26D6_aP43_2_5i_a_13i_3i:Cu-Mg-O-P,43.0,"Invalid WP multiplicities - A10BC26D6_aP43_2_8i_a_26i_4i:Cu-Mg-O-P, expected MgCu16(P2O13)4 to be MgCu10(P3O13)2" +mp-1026876,Mg14CdCu,-1.7109338437,0.0031922269,0.0616880219,0.0616880219,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Cu-Mg, expected Mg18CdCu to be Mg14CdCu" +mp-1026877,Mg14CdCu,-1.7141047412,2.13294e-05,0.0585171244,0.0585171244,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Cu-Mg, expected Mg26CdCu to be Mg14CdCu" +mp-1044945,MgCu2P2O9,-6.6953369971,-2.0420872254,0.0948624908,0.0948624908,GGA,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Cu-Mg-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Cu-Mg-O-P, expected MgCu2P2O11 to be MgCu2P2O9" +mp-1045729,MgCu(PO3)4,-7.3488455667,-2.5314588288,0.0113330262,0.0113330262,GGA,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Cu-Mg-O-P,36.0,ABC12D4_mC72_15_c_e_6f_2f:Cu-Mg-O-P +mp-560742,Ba2TeP2O9,-7.3076221796,-2.8556179519,0.0,-0.0017525778,GGA,P-1,A2B9C2D_aP28_2_2i_9i_2i_i:Ba-O-P-Te,28.0,"Invalid WP multiplicities - A2B9C2D_aP28_2_4i_18i_2i_i:Ba-O-P-Te, expected Ba4Te(PO9)2 to be Ba2TeP2O9" +mp-554886,Ba3Nb2(P2O9)2,-8.1847890952,-3.1235616237,0.0003919989,0.0003919989,GGA,P-1,A3B2C18D4_aP27_2_ai_i_9i_2i:Ba-Nb-O-P,27.0,"Invalid WP multiplicities - A3B2C18D4_aP27_2_a2i_i_18i_3i:Ba-Nb-O-P, expected Ba5Nb2(PO6)6 to be Ba3Nb2(P2O9)2" +mp-31275,Ba(TeP2)2,-4.7802223721,-0.5146799788,0.117256401,0.117256401,GGA,Pnma,AB4C2_oP28_62_c_2cd_2c:Ba-P-Te,28.0,AB4C2_oP28_62_c_2cd_2c:Ba-P-Te +mp-555620,BaNb7(P2O11)3,-8.6827792068,-2.973233404,0.0022675303,0.0022675303,GGA,P-31c,AB7C33D6_hP94_163_a_ci_h5i_i:Ba-Nb-O-P,94.0,"Invalid WP multiplicities - AB7C33D6_hP94_163_a_2c3i_6h49i_i:Ba-Nb-O-P, expected BaNb20(PO52)6 to be BaNb7(P2O11)3" +mp-560794,BaNbTePO8,-7.7565464186,-2.7440132461,0.0,-0.0048750124,GGA,Pbca,ABC8DE_oP96_61_c_c_8c_c_c:Ba-Nb-O-P-Te,96.0,"Invalid WP multiplicities - ABC8DE_oP96_61_c_c_54c_c_c:Ba-Nb-O-P-Te, expected BaNbTePO54 to be BaNbTePO8" +mp-16998,Ba2Nb6Te2O21,-8.4849083348,-2.852235598,0.0,-0.014026443,GGA,C2/m,A2B6C21D2_mC62_12_i_3i_ah3i3j_i:Ba-Nb-O-Te,31.0,"Invalid WP multiplicities - A2B6C21D2_mC62_12_i_3i_ah3i4j_i:Ba-Nb-O-Te, expected Ba2Nb6Te2O25 to be Ba2Nb6Te2O21" +mp-557108,Ba2Nb2TeO10,-7.9699091452,-2.8598589474,0.0,-0.0354785798,GGA,Pbca,A2B2C10D_oP60_61_c_c_5c_a:Ba-Nb-O-Te,60.0,"Invalid WP multiplicities - A2B2C10D_oP60_61_c_c_32c_a:Ba-Nb-O-Te, expected Ba2Nb2TeO64 to be Ba2Nb2TeO10" +mp-2223064,MgCrWO6,-8.2295540878,-2.2415996414,0.1554952894,0.1554952894,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-Mg-O-W,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-Mg-O-W +mp-2230023,MgCr4(WO6)2,-8.8434134116,-2.2387294682,0.1728434989,0.1728434989,GGA+U,P2,A4BC12D2_mP19_3_2b2c_a_6e_bc:Cr-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_3_2a2b_c_9e_ab:Cr-Mg-O-W, expected MgCr4(WO9)2 to be MgCr4(WO6)2" +mp-2231089,MgCr4(WO6)2,-8.6769820416,-2.0722980982,0.3392748689,0.3392748689,GGA+U,Amm2,A4BC12D2_oC38_38_2c_a_2b2cdf_ab:Cr-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_oC38_38_3c_a_2b3c2d2f_ab:Cr-Mg-O-W, expected MgCr6(WO10)2 to be MgCr4(WO6)2" +mp-2230282,MgCr4(WO6)2,-8.8371551695,-2.2324712261,0.1791017411,0.1791017411,GGA+U,P-4,A4BC12D2_tP19_81_2g_a_3h_g:Cr-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_tP19_81_2g_a_6h_g:Cr-Mg-O-W, expected MgCr4(WO12)2 to be MgCr4(WO6)2" +mp-1308495,Mg2CrWO6,-8.1162690045,-2.5670819977,0.0461134743,0.0461134743,GGA+U,P1,AB2C6D_aP20_1_2a_4a_12a_2a:Cr-Mg-O-W,20.0,AB2C6D_hR30_146_a_2a_2b_a:Cr-Mg-O-W +mp-1301131,Mg2CrWO6,-8.0935905125,-2.5444035057,0.0687919663,0.0687919663,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cr-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Cr-Mg-O-W +mp-1047222,Mg2CrWO6,-8.116809609,-2.5676226022,0.0455728698,0.0455728698,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Cr-Mg-O-W,20.0,AB2C6D_hR30_146_a_2a_2b_a:Cr-Mg-O-W +mp-2230244,La6MgWO12,-8.568960535,-3.3922246627,0.1771902435,0.1771902435,GGA+U,R3,A6BC12D_hR60_146_2b_a_4b_a:La-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_146_4b_a_12b_a:La-Mg-O-W, expected La12MgWO36 to be La6MgWO12" +mp-2230066,La6MgWO12,-8.6736277,-3.4968918277,0.0725230785,0.0725230785,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:La-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_148_f_a_7f_b:La-Mg-O-W, expected La6MgWO42 to be La6MgWO12" +mp-2218716,MgCr2(WO4)2,-8.6892492146,-2.0433918962,0.3152833846,0.3152833846,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Cr-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Cr-Mg-O-W +mp-2218342,MgCr2(WO4)2,-8.8130571577,-2.1671998392,0.1914754415,0.1914754415,GGA+U,C2/m,A2BC8D2_mC26_12_h_a_2ij_i:Cr-Mg-O-W,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_h_a_4ij_i:Cr-Mg-O-W, expected MgCr2(WO6)2 to be MgCr2(WO4)2" +mp-2227118,MgCr2(WO4)2,-8.8154288785,-2.16957156,0.1891037208,0.1891037208,GGA+U,C2/m,A2BC8D2_mC26_12_i_a_2ij_h:Cr-Mg-O-W,13.0,A2BC8D2_mC26_12_i_a_2ij_h:Cr-Mg-O-W +mp-1404626,La2MgWO6,-8.525999384,-3.1149437083,0.1302809696,0.1302809696,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-W,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-W +mp-2222872,LaMgCrWO6,-8.579248494,-2.6964887817000003,0.1725940265,0.1725940265,GGA+U,P1,ABCD6E_aP10_1_a_a_a_6a_a:Cr-La-Mg-O-W,10.0,ABCD6E_aP10_1_a_a_a_6a_a:Cr-La-Mg-O-W +mp-1223130,La3Mg2(WO6)2,-8.4702787768,-3.0342205447,0.119452683,0.119452683,GGA+U,P-4m2,A3B2C12D2_tP19_115_abc_g_2gl_g:La-Mg-O-W,19.0,A3B2C12D2_tP19_115_abc_g_2gl_g:La-Mg-O-W +mp-2218252,MgCr(WO4)2,-8.66116053,-2.2659023908,0.1591280271,0.1591280271,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W +mp-2218265,MgCr(WO4)2,-8.6302411408,-2.2349830017,0.1900474162,0.1900474162,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W +mp-2218121,MgCr(WO4)2,-8.6913591133,-2.2961009742,0.1289294437,0.1289294437,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cr-Mg-O-W +mp-19501,Ba6Na2V2Ru2O17,-7.2565708781,-2.6024596527,0.0,-0.0187176061,GGA+U,P6_3/mmc,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Ru-V,58.0,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Ru-V +mp-23651,Na4Al3Ge3IO12,-6.5353107289,-2.5688088544000003,0.0,-0.0262176105,GGA,P-43n,A3B3CD4E12_cP46_218_c_d_a_e_i:Al-Ge-I-Na-O,46.0,A3B3CD4E12_cP46_218_c_d_a_e_i:Al-Ge-I-Na-O +mp-29395,NaAlI4,-3.0155496096,-1.1886218557,0.0,-0.0315015,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-I-Na,24.0,AB4C_oP24_62_c_2cd_c:Al-I-Na +mp-643670,Mn2In(CO)9,-7.805247864,-0.7264906189,0.6601739146000001,0.6601739146000001,GGA+U,I4_1/a,A9BC2D9_tI336_88_9f_f_2ef_9f:C-In-Mn-O,168.0,"Invalid WP multiplicities - A9BC2D9_tI336_88_69f_f_7e3f_61f:C-In-Mn-O, expected Mn13In2(C69O61)2 to be Mn2In(CO)9" +mp-758121,Fe2(CO3)3,-8.0540465189,-1.6864581404,0.0615682189,0.0615682189,GGA+U,R3,A3B2C9_hR84_146_2b_ab_6b:C-Fe-O,28.0,"Invalid WP multiplicities - A3B2C9_hR84_146_3b_a2b_15b:C-Fe-O, expected Fe7(CO5)9 to be Fe2(CO3)3" +mp-1212773,Fe(CO)6,-7.3797534054,-0.1857421413,1.1157496268,1.1157496268,GGA+U,C2/m,A6BC6_mC26_12_ij_a_ij:C-Fe-O,13.0,"Invalid WP multiplicities - A6BC6_mC26_12_ij_a_2i3j:C-Fe-O, expected Fe(C3O8)2 to be Fe(CO)6" +mp-675126,FeCO3,-6.780641645,-0.2728910778,1.517677981,1.382177495,GGA+U,Cc,ABC3_mC20_9_a_a_3a:C-Fe-O,10.0,"Invalid WP multiplicities - ABC3_mC20_9_a_a_6a:C-Fe-O, expected FeCO6 to be FeCO3" +mp-18969,FeCO3,-8.298319626,-1.7905690588,0.0,-0.135500486,GGA+U,R-3c,ABC3_hR30_167_a_b_e:C-Fe-O,10.0,ABC3_hR30_167_a_b_e:C-Fe-O +mp-837859,Fe(CO)5,-7.79891154,-0.5855667919,0.711149307,0.711149307,GGA+U,Cc,A5BC5_mC44_9_5a_a_5a:C-Fe-O,22.0,A5BC5_mC44_9_5a_a_5a:C-Fe-O +mp-616561,Fe(CO)5,-7.8985176627,-0.6851729147000001,0.6115431843,0.6115431843,GGA+U,C2/c,A5BC5_mC44_15_e2f_e_e2f:C-Fe-O,22.0,"Invalid WP multiplicities - A5BC5_mC44_15_2e5f_e_2e6f:C-Fe-O, expected Fe(C6O7)2 to be Fe(CO)5" +mp-1283232,Fe(CO3)2,-7.8732332725,-1.5835127767,0.0711206026,0.0711206026,GGA+U,P-1,A2BC6_aP36_2_4i_2i_12i:C-Fe-O,36.0,"Invalid WP multiplicities - A2BC6_aP36_2_7i_2i_23i:C-Fe-O, expected Fe2C7O23 to be Fe(CO3)2" +mp-725152,Fe(CO3)2,-7.2606028939,-0.9708823981,0.6837509812,0.6837509812,GGA+U,C2/c,A2BC6_mC36_15_f_e_3f:C-Fe-O,18.0,A2BC6_mC36_15_f_e_3f:C-Fe-O +mp-1181535,Fe(CO3)2,-7.3963511442,-1.1066306483,0.5480027309000001,0.5480027309000001,GGA+U,Cccm,A2BC6_oC72_66_ik_be_gl2m:C-Fe-O,36.0,A2BC6_oC72_66_ik_be_gl2m:C-Fe-O +mp-1196665,Fe(CO3)2,-7.2289148028,-0.9391943069,0.7154390723,0.7154390723,GGA+U,Cccm,A2BC6_oC72_66_ik_be_gl2m:C-Fe-O,36.0,A2BC6_oC72_66_ik_be_gl2m:C-Fe-O +mp-752929,Fe(CO3)2,-7.8751275233,-1.5854070275,0.0692263517,0.0692263517,GGA+U,R-3,A2BC6_hR27_148_c_a_f:C-Fe-O,36.0,A2BC6_hR27_148_c_a_f:C-Fe-O +mp-1199200,Fe2CO5,-7.86705949,-1.5042905564,0.2269976238,0.2269976238,GGA+U,P2_1/c,AB2C5_mP32_14_e_2e_5e:C-Fe-O,32.0,AB2C5_mP32_14_e_2e_5e:C-Fe-O +mp-643081,Fe2(CO)9,-7.864894307,-0.6389827943,0.6546291197,0.6546291197,GGA+U,P6_3/m,A9B2C9_hP40_176_hi_f_hi:C-Fe-O,40.0,"Invalid WP multiplicities - A9B2C9_hP40_176_3h3i_f_4h4i:C-Fe-O, expected Fe2(C3O4)9 to be Fe2(CO)9" +mp-1228683,Fe3C7O19,-7.2741199984,-0.9293680125,0.7942917473000001,0.7942917473000001,GGA+U,P-1,A7B3C19_aP58_2_7i_3i_19i:C-Fe-O,58.0,A7B3C19_aP58_2_7i_3i_19i:C-Fe-O +mp-1202382,Mn2Fe(CO)14,-7.9971802597,-0.731083142,0.6357729617,0.6357729617,GGA+U,C2/m,A14BC2D14_mC124_12_gh4i4j_ad_gi_gh4i4j:C-Fe-Mn-O,62.0,A14BC2D14_mC124_12_gh4i4j_ac_gi_gh4i4j:C-Fe-Mn-O +mp-759204,Fe2C2O7,-8.0410422152,-1.6752063621,0.0667333867,0.0667333867,GGA+U,C2,A2B2C7_mC66_5_3c_3c_a10c:C-Fe-O,33.0,A2B2C7_mC66_5_3c_3c_a10c:C-Fe-O +mp-758768,Fe2C2O7,-8.0312388289,-1.6654029758000002,0.076536773,0.076536773,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:C-Fe-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_3e_5e_23e:C-Fe-O, expected Fe5C3O23 to be Fe2C2O7" +mp-758060,Fe2C2O7,-8.0120664761,-1.6462306231,0.0957091257,0.0957091257,GGA+U,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:C-Fe-O,44.0,"Invalid WP multiplicities - A2B2C7_mP44_14_7e_7e_25e:C-Fe-O, expected Fe7C7O25 to be Fe2C2O7" +mp-752896,Fe2C2O7,-8.0197175682,-1.6538817151,0.0880580336,0.0880580336,GGA+U,C2/c,A2B2C7_mC44_15_f_f_e3f:C-Fe-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_e12f:C-Fe-O, expected Fe2C2O25 to be Fe2C2O7" +mp-1345659,Fe2C2O7,-7.6371192436,-1.2712833906,0.4706563582,0.4706563582,GGA+U,P-31c,A2B2C7_hP22_163_f_f_ci:C-Fe-O,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_e12f:C-Fe-O, expected Fe2C2O25 to be Fe2C2O7" +mp-651406,MnInFe(CO)9,-7.7334917192,-0.6876865732,0.6457297734,0.6457297734,GGA+U,P-1,A9BCDE9_aP168_2_36i_4i_4i_4i_36i:C-Fe-In-Mn-O,168.0,"Invalid WP multiplicities - A9BCDE9_tI336_88_65f_5e_f_f_68f:C-Fe-In-Mn-O, expected Mn2In2Fe5(C65O68)2 to be MnInFe(CO)9" +mp-706459,Fe4C14O13,-7.183273964,0.1518342613,1.3927019088,1.3927019088,GGA+U,P2_1/c,A14B4C13_mP124_14_14e_4e_13e:C-Fe-O,124.0,"Invalid WP multiplicities - A14B4C13_mP124_14_51e_13e_50e:C-Fe-O, expected Fe13C51O50 to be Fe4C14O13" +mp-1221611,MnInFe,-6.4969351367,0.297638274,0.297638274,0.297638274,GGA,P-6m2,ABC_hP3_187_a_d_e:Fe-In-Mn,3.0,ABC_hP3_187_a_d_e:Fe-In-Mn +mp-1206457,MnInFe,-6.5042404033,0.2903330074,0.2903330074,0.2903330074,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Fe-In-Mn,6.0,ABC_hP6_194_c_d_a:Fe-In-Mn +mp-21058,Mn3InC,-5.551797736,2.3414812837,2.4126517878,2.4126517878,GGA,Pm-3m,ABC3_cP5_221_a_b_c:C-In-Mn,5.0,ABC3_cP5_221_a_b_c:C-In-Mn +mp-1094118,Mn3InC,-7.866210946,0.0270680737,0.0982385778,0.0982385778,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-In-Mn,5.0,ABC3_cP5_221_b_a_c:C-In-Mn +mp-510056,CaV4(CuO4)3,-7.578506186,-2.0785507507,0.0749546026,0.0749546026,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-V,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Cu-O-V +mp-504871,SrV2CuO7,-7.6737215018,-2.3479639344,0.0159034087,0.0159034087,GGA+U,Pnma,AB7CD2_oP44_62_c_3c2d_c_2c:Cu-O-Sr-V,44.0,AB7CD2_oP44_62_c_3c2d_c_2c:Cu-O-Sr-V +mp-1214197,Ca3V3(CuO6)2,-7.5552432942,-2.513883508,0.0286603199,0.0286603199,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cu-O-V,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-Cu-O-V +mp-1043859,Sr2VCu2O7,-6.6223384096,-2.0149944683,0.2290614622,0.2290614622,GGA+U,Cm,A2B7C2D_mC48_8_2b_2a6b_2b_2a:Cu-O-Sr-V,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_8_3b_2a9b_3b_2a:Cu-O-Sr-V, expected Sr3VCu3O10 to be Sr2VCu2O7" +mp-1041444,CaV2(CuO4)2,-7.3418578733,-2.1152936387,0.0446978513,0.0446978513,GGA+U,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-V,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-V, expected CaV5(Cu3O13)2 to be CaV2(CuO4)2" +mp-557595,CaV2CuO7,-7.7177550408,-2.3632605254,0.0179237647,0.0179237647,GGA+U,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Ca-Cu-O-V,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Ca-Cu-O-V, expected Ca4V9Cu4O39 to be CaV2CuO7" +mp-1330228,CaV4(CuO7)2,-7.5585664429,-2.0446007544,0.0746916801,0.0746916801,GGA+U,P2,AB2C14D4_mP63_3_ae_ac2e_bd20e_6e:Ca-Cu-O-V,63.0,"Invalid WP multiplicities - AB2C14D4_mP63_3_ae_ad4e_bc39e_12e:Ca-Cu-O-V, expected Ca3V24(CuO8)10 to be CaV4(CuO7)2" +mp-1233632,CaY2(FeO2)4,-8.2495125513,-2.3567034422,0.1985613992,0.1985613992,GGA+U,C2/m,AB4C8D2_mC30_12_b_ace_2ij_i:Ca-Fe-O-Y,15.0,"Invalid WP multiplicities - AB4C8D2_mC30_12_b_ac2f_4i3j_i:Ca-Fe-O-Y, expected CaY2(Fe3O10)2 to be CaY2(FeO2)4" +mp-1227099,CaYTi2O6,-9.0044300705,-3.6101113411,0.0104752976,0.0104752976,GGA,Pmn2_1,AB6C2D_oP20_31_a_2a2b_b_a:Ca-O-Ti-Y,20.0,"Invalid WP multiplicities - AB6C2D_oP20_31_a_3a6b_b_a:Ca-O-Ti-Y, expected CaYTi2O15 to be CaYTi2O6" +mp-650518,Ca4YFe5O13,-7.763613234,-2.4963988893,0.0437312351,0.0437312351,GGA+U,Pnma,A4B5C13D_oP92_62_2d_a2d_c6d_c:Ca-Fe-O-Y,92.0,"Invalid WP multiplicities - A4B5C13D_oP92_62_10d_3a12d_4c40d_c:Ca-Fe-O-Y, expected Ca20Y(Fe9O28)3 to be Ca4YFe5O13" +mp-1047527,Ca2YFeO5,-7.7886043372,-2.9351448217,0.1313614631,0.1313614631,GGA+U,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Fe-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Fe-O-Y +mp-1369394,Ca2YTiO5,-8.1665151367,-3.3768921982,0.1420063928,0.1420063928,GGA,Ima2,A2B5CD_oI36_46_c_b2c_a_b:Ca-O-Ti-Y,18.0,A2B5CD_oI36_46_c_b2c_a_b:Ca-O-Ti-Y +mp-1227620,Ca3YTi4O12,-8.767144318,-3.5958691503,0.0,-0.0107258463,GGA,Pm,A3B12C4D_mP20_6_a2b_2a2b4c_2c_a:Ca-O-Ti-Y,20.0,"Invalid WP multiplicities - A3B12C4D_mP20_6_a2b_2a2b8c_4c_a:Ca-O-Ti-Y, expected Ca3YTi8O20 to be Ca3YTi4O12" +mp-1227117,CaY3Ti4O12,-9.2323063625,-3.6149440714,0.0303600557,0.0303600557,GGA,Pm,AB12C4D3_mP20_6_a_2a2b4c_2c_a2b:Ca-O-Ti-Y,20.0,"Invalid WP multiplicities - AB12C4D3_mP20_6_a_2a2b8c_4c_a2b:Ca-O-Ti-Y, expected CaY3Ti8O20 to be CaY3Ti4O12" +mp-1046651,MnZnPO5,-7.3592185156,-2.288155395,0.0286042506,0.0286042506,GGA+U,C2/c,AB5CD_mC32_15_a_e2f_e_e:Mn-O-P-Zn,16.0,AB5CD_mC32_15_a_e2f_e_e:Mn-O-P-Zn +mp-29884,ZnNi10P3,-5.804338731,-0.4256945931,0.0,-0.0115668627,GGA,P-3m1,A10B3C_hP42_164_c2dh3i_ei_ad:Ni-P-Zn,42.0,"Invalid WP multiplicities - A10B3C_hP42_164_2c2d2h5i_e2i_ad:Ni-P-Zn, expected Zn3(Ni10P3)5 to be ZnNi10P3" +mp-1043209,ZnNi2P2O9,-6.7778663666,-1.9088077677,0.1337642875,0.1337642875,GGA+U,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Ni-O-P-Zn,56.0,A2B9C2D_oP56_62_ac_5c2d_2c_c:Ni-O-P-Zn +mp-776812,Mn7Ni(PO4)12,-7.6115352672,-2.1363156798,0.0934429908,0.0934429908,GGA+U,P1,A7BC48D12_aP68_1_7a_a_48a_12a:Mn-Ni-O-P,68.0,A7BC48D12_aP68_1_7a_a_48a_12a:Mn-Ni-O-P +mp-1344325,ZnNiP2O7,-7.0838010343,-2.3116822814,0.0190333182,0.0190333182,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ni-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Ni-O-P-Zn +mp-1042104,ZnNiP2O7,-7.0833349314,-2.3112161784,0.0194994212,0.0194994212,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ni-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Ni-O-P-Zn +mp-1048278,ZnNiP2O7,-7.0958029336,-2.3236841807,0.0070314189,0.0070314189,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ni-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Ni-O-P-Zn, expected ZnNiP7O23 to be ZnNiP2O7" +mp-1048030,ZnNi3P3O13,-6.8615160503,-1.9041653294,0.1382567789,0.1382567789,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Ni-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Ni-O-P-Zn, expected ZnNi5P3O34 to be ZnNi3P3O13" +mp-1043615,Mn3Zn(P2O7)2,-7.917845468,-2.4790890375,0.0665266608,0.0665266608,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Mn-O-P-Zn,44.0,A3B14C4D_mP44_14_ae_7e_2e_d:Mn-O-P-Zn +mp-756391,Mn3Ni(PO4)4,-7.9022373233,-2.3161368249,0.026748062,0.026748062,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Mn-Ni-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Mn-Ni-O-P +mp-1221933,Mn3Zn9(PO4)8,-7.0382961269,-2.4147538735,0.00286483,0.00286483,GGA+U,P-1,A3B32C8D9_aP52_2_bcd_16i_4i_h4i:Mn-O-P-Zn,52.0,"Invalid WP multiplicities - A3B32C8D9_aP52_2_bcd_32i_8i_h8i:Mn-O-P-Zn, expected Mn3Zn17(PO4)16 to be Mn3Zn9(PO4)8" +mp-1370903,MnZnP2O7,-7.555338212,-2.4757759489,0.0326378814,0.0326378814,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mn-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Mn-O-P-Zn +mp-1042041,MnZnP2O7,-7.5657175227,-2.4861552596,0.0222585707,0.0222585707,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mn-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Mn-O-P-Zn +mp-1048260,MnZnP2O7,-7.5801083814,-2.5005461183,0.0078677121,0.0078677121,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Mn-O-P-Zn, expected MnZnP7O23 to be MnZnP2O7" +mp-772291,Mn5Ni(PO4)6,-7.9638099797,-2.330738945,0.0455995205,0.0455995205,GGA+U,R3,A5BC24D6_hR108_146_5a_a_8b_2b:Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A5BC24D6_hR108_146_5a_a_20b_2b:Mn-Ni-O-P, expected Mn5Ni(PO10)6 to be Mn5Ni(PO4)6" +mp-1221356,MnNiP2O7,-7.8945202205,-2.4040131328,0.0011062027,0.0011062027,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Mn-Ni-O-P,22.0,ABC7D2_mC22_5_a_a_b3c_c:Mn-Ni-O-P +mp-1040884,Mn2Zn(PO4)2,-7.8156286265,-2.4322525575,0.0576469304,0.0576469304,GGA+U,C2/c,A2B8C2D_mC104_15_aef_8f_2f_f:Mn-O-P-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_2ae2f_30f_6f_f:Mn-O-P-Zn, expected Mn7Zn2(PO5)12 to be Mn2Zn(PO4)2" +mp-1044127,ZnNi2(PO5)2,-6.5346786743,-1.6604447346,0.2459558503,0.2459558503,GGA+U,Fddd,A2B10C2D_oF120_70_c_e2h_e_b:Ni-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_70_c_2e8h_e_b:Ni-O-P-Zn, expected ZnNi2(PO18)2 to be ZnNi2(PO5)2" +mp-1222033,Mn4Zn3(NiO6)2,-7.0946502488,-1.7923726348,0.0,-0.0186648357,GGA+U,C2/c,A4B2C12D3_mC84_15_acf_f_6f_ef:Mn-Ni-O-Zn,42.0,"Invalid WP multiplicities - A4B2C12D3_mC84_15_a2cf_f_22f_2e2f:Mn-Ni-O-Zn, expected Mn5Zn6(NiO22)2 to be Mn4Zn3(NiO6)2" +mp-1043713,ZnNi3(P2O7)2,-7.201085795,-2.2234946298,0.0555737224,0.0555737224,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Ni-O-P-Zn,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Ni-O-P-Zn +mp-1043595,MnNiP2O9,-7.3500075173,-1.9431647953,0.126857498,0.126857498,GGA+U,Pnma,ABC9D2_oP52_62_c_a_5c2d_2c:Mn-Ni-O-P,52.0,ABC9D2_oP52_62_c_a_5c2d_2c:Mn-Ni-O-P +mp-540948,ZnNi(PO3)4,-7.3231900117,-2.4313369644,0.0042520176,0.0042520176,GGA+U,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Ni-O-P-Zn,36.0,AB12C4D_mC72_15_c_6f_2f_e:Ni-O-P-Zn +mp-1093648,MnZnNi2,-3.292426985,2.2030810805,2.3736582425,2.3691049287,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ni-Zn,4.0,AB2C_oI8_71_a_e_b:Mn-Ni-Zn +mp-1186005,MnZnNi2,-5.6660852275,-0.170577162,0.0,-0.0045533138,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mn-Ni-Zn,4.0,AB2C_cF16_225_a_c_b:Mn-Ni-Zn +mp-1047803,Mn3ZnP3O13,-7.801567117,-2.3369346044,0.0557166275,0.0557166275,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Mn-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Mn-O-P-Zn, expected Mn5ZnP3O34 to be Mn3ZnP3O13" +mp-775024,MnNi3(PO4)4,-7.3689136579,-2.0646363771,0.0775270381,0.0775270381,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Mn-Ni-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Mn-Ni-O-P +mp-1041017,Mn2ZnP2O9,-7.6588801723,-2.3066960574,0.0642718641,0.0642718641,GGA+U,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Mn-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Mn-O-P-Zn, expected Mn2ZnP2O11 to be Mn2ZnP2O9" +mp-775200,MnNi(PO4)2,-7.6469763521,-2.2017874625,0.0407366886,0.0407366886,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Mn-Ni-O-P,24.0,ABC8D2_mP24_11_e_e_4e2f_2e:Mn-Ni-O-P +mp-773507,MnNi(PO4)2,-7.6008025231,-2.1556136334,0.0869105176,0.0869105176,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Mn-Ni-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Mn-Ni-O-P, expected MnNi(PO10)2 to be MnNi(PO4)2" +mp-771700,MnNi(PO4)2,-7.6549083042,-2.2097194145,0.0328047365,0.0328047365,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Mn-Ni-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Mn-Ni-O-P, expected MnNi(PO10)2 to be MnNi(PO4)2" +mp-1043935,Mn2Zn(PO5)2,-7.412425758,-2.08727467,0.1438295742,0.1438295742,GGA+U,Fddd,A2B10C2D_oF120_70_c_e2h_e_b:Mn-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_70_c_2e8h_e_b:Mn-O-P-Zn, expected Mn2Zn(PO18)2 to be Mn2Zn(PO5)2" +mp-759483,Mn2Ni(PO4)3,-7.8109669975,-2.2718370353,0.037594273,0.037594273,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_13f_e:Mn-Ni-O-P, expected Mn2Ni(PO26)3 to be Mn2Ni(PO4)3" +mp-1333743,MnZnNiP2O9,-7.2649051861,-2.1542838292,0.0641380283,0.0641380283,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mn-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mn-Ni-O-P-Zn +mp-1202673,Na3V3Cr2O12,-7.8746011694,-2.3803184911,0.0,-0.0032180911,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cr-Na-O-V,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cr-Na-O-V +mp-1040826,LaVCrO6,-8.5317772678,-2.6036558331,0.2294642994,0.2294642994,GGA+U,P1,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-V,9.0,ABC6D_aP9_1_a_a_6a_a:Cr-La-O-V +mp-772448,Mn3Co3(TeO8)2,-7.0493679317,-1.4558416638,0.0843231464,0.0843231464,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Mn-O-Te,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Co-Mn-O-Te +mp-771946,Mn3Co3(TeO8)2,-7.0486510488,-1.4551247809,0.0850400293,0.0850400293,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Mn-O-Te,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Mn-O-Te, expected Mn3Co3(TeO10)2 to be Mn3Co3(TeO8)2" +mp-755884,Mn3Co2Te3O16,-6.9140548,-1.4857373614,0.1374523951,0.1374523951,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Co-Mn-O-Te,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Co-Mn-O-Te, expected Mn3Co2Te3O20 to be Mn3Co2Te3O16" +mp-769585,Li4Mn3Co3(TeO8)2,-6.8933380743,-1.8261837209,0.0078263148,0.0078263148,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Co-Li-Mn-O-Te,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Co-Li-Mn-O-Te +mp-1221822,Mn3Co3(TeO6)2,-7.385936849,-1.6630430699,0.0104398715,0.0104398715,GGA+U,R3,A3B3C12D2_hR60_146_b_b_4b_2a:Co-Mn-O-Te,20.0,A3B3C12D2_hR60_146_b_b_4b_2a:Co-Mn-O-Te +mp-753545,Li4Mn3Co2Te3O16,-6.6804312311,-1.7548844456,0.0997838653,0.0997838653,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Co-Li-Mn-O-Te,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Co-Li-Mn-O-Te +mp-753987,Li4Mn2Co3Te3O16,-6.5630063593,-1.7108059130000002,0.084925966,0.084925966,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Te,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Co-Li-Mn-O-Te +mp-755888,Mn2Co3Te3O16,-6.7608622029,-1.4181154934,0.1247359611,0.1247359611,GGA+U,Cm,A3B2C16D3_mC48_8_ab_2a_8a4b_ab:Co-Mn-O-Te,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_8_ab_2a_8a6b_ab:Co-Mn-O-Te, expected Mn2Co3Te3O20 to be Mn2Co3Te3O16" +mp-1221785,MnCo2TeO6,-7.1948626225,-1.5746537182,0.0163182185,0.0163182185,GGA+U,P1,A2BC6D_aP20_1_4a_2a_12a_2a:Co-Mn-O-Te,20.0,A2BC6D_aP20_1_4a_2a_12a_2a:Co-Mn-O-Te +mp-1008874,MnCoTe,-6.6988024267,-0.2275894332,0.0260837071,0.0260837071,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Mn-Te,3.0,ABC_cF12_216_c_a_b:Co-Mn-Te +mp-1346287,CaTiP2O7,-7.9122211168,-2.8799922178,0.215013261,0.215013261,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Ti,22.0,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Ti +mp-1041634,CaTiP2O7,-7.9210711086,-2.8888422097,0.2061632692,0.2061632692,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Ti,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Ca-O-P-Ti, expected CaTi(PO4)2 to be CaTiP2O7" +mp-1041168,CaTiP2O7,-7.9283169564,-2.8960880574,0.1989174215,0.1989174215,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ca-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Ca-O-P-Ti, expected CaTiP7O23 to be CaTiP2O7" +mp-1233023,CaTi2Zn2(PO5)2,-7.3244050518,-2.5826660365,0.2789628337,0.2789628337,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-P-Ti-Zn +mp-18308,CaZn2(PO4)2,-6.9316459885,-2.7066304651,0.0,-0.0148722267,GGA,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:Ca-O-P-Zn,26.0,AB8C2D2_aP26_2_i_8i_2i_2i:Ca-O-P-Zn +mp-1045626,CaTi(PO3)4,-7.8523935617,-2.8015843140000003,0.1303969282,0.1303969282,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-Ti,36.0,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-Ti +mp-1046492,CaTiPO5,-8.1942351219,-3.1882553769,0.0903936378,0.0903936378,GGA,C2/c,AB5CD_mC32_15_e_e2f_e_a:Ca-O-P-Ti,16.0,AB5CD_mC32_15_e_e2f_e_c:Ca-O-P-Ti +mp-1043473,CaTi2(PO5)2,-8.3803472683,-3.1743421991,0.056150212,0.056150212,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Ca-O-P-Ti,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Ca-O-P-Ti, expected CaTi2(PO14)2 to be CaTi2(PO5)2" +mp-1047077,CaTi3(P2O7)2,-8.078940173,-2.7789889041,0.2562192419,0.2562192419,GGA,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-Ti,44.0,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-Ti +mp-634817,CaZn2(PO)2,-4.5582888214,-0.9518503163,0.7851153237,0.7851153237,GGA,P-3m1,AB2C2D2_hP7_164_a_d_d_d:Ca-O-P-Zn,7.0,AB2C2D2_hP7_164_a_d_d_d:Ca-O-P-Zn +mp-1044885,CaTi2P2O9,-8.3436469477,-3.1191192814,0.0632035056,0.0632035056,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Ca-O-P-Ti,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Ca-O-P-Ti, expected CaTi2P2O11 to be CaTi2P2O9" +mp-1182035,CaZn2(PO5)2,-6.3785338163,-2.0572952013,0.2884512018,0.2884512018,GGA,C2/c,AB10C2D2_mC60_15_e_5f_f_f:Ca-O-P-Zn,30.0,AB10C2D2_mC60_15_e_5f_f_f:Ca-O-P-Zn +mp-1182704,CaZn2(PO5)2,-6.3737036696,-2.0524650545,0.2932813486,0.2932813486,GGA,Pca2_1,AB10C2D2_oP180_29_3a_30a_6a_6a:Ca-O-P-Zn,180.0,AB10C2D2_oP180_29_3a_30a_6a_6a:Ca-O-P-Zn +mp-1181992,CaZn2(PO5)2,-6.3754424678,-2.0542038528,0.2915425503,0.2915425503,GGA,Pbcn,AB10C2D2_oP60_60_c_5d_d_d:Ca-O-P-Zn,60.0,AB10C2D2_oP60_60_c_5d_d_d:Ca-O-P-Zn +mp-1044634,CaTi2(PO4)2,-8.0600253506,-2.8141254570000003,0.3126169946,0.3126169946,GGA,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Ca-O-P-Ti,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Ca-O-P-Ti, expected Ca2Ti7(PO5)12 to be CaTi2(PO4)2" +mp-1041164,CaTi3P3O13,-8.3772052295,-3.0652583947,0.0782272085,0.0782272085,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Ca-O-P-Ti,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Ca-O-P-Ti, expected CaTi5P3O34 to be CaTi3P3O13" +mp-16831,CaTi4(PO4)6,-8.38025392,-3.1005992898,0.0,-0.0275189868,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Ca-O-P-Ti,35.0,"Invalid WP multiplicities - AB24C6D4_hR105_148_a_5f_f_3c:Ca-O-P-Ti, expected CaTi6(PO5)6 to be CaTi4(PO4)6" +mp-17085,Rb2Zr3OF12,-6.9423552594,-3.8596549063,0.0,-0.0272593518,GGA,R-3m,A12BC2D3_hR108_166_f3h_c_abc_h:F-O-Rb-Zr,36.0,"Invalid WP multiplicities - A12BC2D3_hR108_166_f4h_c_abc_h:F-O-Rb-Zr, expected Rb2Zr3OF15 to be Rb2Zr3OF12" +mp-42022,Cs2RbZrOF5,-5.945194411,-3.3628821115,0.0064757422,0.0064757422,GGA,I4mm,A2B5CDE_tI20_107_b_ac_a_a_a:Cs-F-O-Rb-Zr,10.0,"Invalid WP multiplicities - A2B5CDE_tI20_107_b_a2c_a_a_a:Cs-F-O-Rb-Zr, expected Cs2RbZrOF9 to be Cs2RbZrOF5" +mp-1196766,CeNi2N17O24,-6.3686644624,-0.0519757053,0.8235419494,0.8235419494,GGA+U,Pn-3,AB17C2D24_cP88_201_a_bdh_c_2h:Ce-N-Ni-O,88.0,AB17C2D24_cP88_201_a_bdh_c_2h:Ce-N-Ni-O +mp-559686,CeTl5Ni2(NO2)12,-6.5034482359,-0.8656062719000001,0.2071016915,0.2071016915,GGA+U,Pn-3,AB12C2D24E5_cP88_201_a_h_b_2h_cd:Ce-N-Ni-O-Tl,88.0,"Invalid WP multiplicities - AB12C2D24E5_cP88_201_a_h_b_26h_3c3d:Ce-N-Ni-O-Tl, expected CeTl15Ni2(NO26)12 to be CeTl5Ni2(NO2)12" +mp-1198027,LiSi2B,-5.0029624166,-0.1432247422,0.0,-0.0031985816,GGA,P4_2/nmc,ABC2_tP32_137_f_g_2g:B-Li-Si,32.0,ABC2_tP32_137_f_g_2g:B-Li-Si +mp-770402,Li3B2SbO6,-6.8508382213,-2.4429477505,0.0472888433,0.0472888433,GGA,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-Sb,24.0,"Invalid WP multiplicities - A2B3C6D_aP24_2_3i_5i_11i_i:B-Li-O-Sb, expected Li5B3SbO11 to be Li3B2SbO6" +mp-770290,Li3B2SbO6,-6.8249819769,-2.4170915061,0.0731450877,0.0731450877,GGA,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-Sb,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_3e_11e_19e_e:B-Li-O-Sb, expected Li11B3SbO19 to be Li3B2SbO6" +mp-770288,Li3B2SbO6,-6.800201789,-2.3923113182,0.0979252756,0.0979252756,GGA,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-Sb,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_11e_21e_e:B-Li-O-Sb, expected Li11B7SbO21 to be Li3B2SbO6" +mp-973391,LiSiB6,-6.1285045038,-0.2021805635,0.0,-0.0635401,GGA,Cmce,A6BC_oC64_64_2f2g_f_f:B-Li-Si,32.0,"Invalid WP multiplicities - A6BC_oC64_64_8f5g_f_f:B-Li-Si, expected LiSiB18 to be LiSiB6" +mp-769411,Li6B3SbO9,-6.6807627543,-2.4628200094,0.0545963865,0.0545963865,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Sb,76.0,"Invalid WP multiplicities - A3B6C9D_mP76_14_9e_23e_33e_e:B-Li-O-Sb, expected Li23B9SbO33 to be Li6B3SbO9" +mp-770654,Li2BSbO4,-6.60375736,-2.3021331614,0.0639083853,0.0639083853,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:B-Li-O-Sb,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:B-Li-O-Sb, expected Li3BSbO11 to be Li2BSbO4" +mp-556531,LiSi2BO6,-7.9738166871,-3.0619083906,0.0,-2.1568e-05,GGA,P2_1,ABC6D2_mP80_4_4a_4a_24a_8a:B-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_mP80_4_7a_6a_47a_16a:B-Li-O-Si, expected Li6Si16B7O47 to be LiSi2BO6" +mp-772132,Li2SiBSbO7,-7.0865151617,-2.5299836823,0.0874849869,0.0874849869,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Li-O-Sb-Si,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:B-Li-O-Sb-Si, expected Li2SiBSbO13 to be Li2SiBSbO7" +mp-756853,LiBSbO3,-6.8130908825,-2.2201938806,0.0923630443,0.0923630443,GGA,P-1,ABC3D_aP12_2_i_i_3i_i:B-Li-O-Sb,12.0,"Invalid WP multiplicities - ABC3D_aP12_2_i_i_5i_i:B-Li-O-Sb, expected LiBSbO5 to be LiBSbO3" +mp-770808,LiB2SbO5,-7.3194855914,-2.4161354575,0.0970037487,0.0970037487,GGA,C2/c,A2BC5D_mC72_15_2f_2e_5f_f:B-Li-O-Sb,36.0,"Invalid WP multiplicities - A2BC5D_mC72_15_7f_3e_17f_f:B-Li-O-Sb, expected Li3B14(SbO17)2 to be LiB2SbO5" +mp-769374,Li2B5SbO10,-7.6617223661,-2.6166838694,0.053245051,0.053245051,GGA,P2_1/c,A5B2C10D_mP72_14_5e_2e_10e_e:B-Li-O-Sb,72.0,"Invalid WP multiplicities - A5B2C10D_mP72_14_9e_3e_27e_e:B-Li-O-Sb, expected Li3B9SbO27 to be Li2B5SbO10" +mp-8874,LiSiBO4,-7.8016813729,-2.9730545854,0.0004935093,0.0004935093,GGA,I-4,ABC4D_tI14_82_c_a_g_b:B-Li-O-Si,7.0,ABC4D_tI14_82_c_a_g_b:B-Li-O-Si +mp-761862,LiB2SbO6,-7.3107890615,-2.4031050699,0.0721569768,0.0721569768,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:B-Li-O-Sb,40.0,"Invalid WP multiplicities - A2BC6D_mP40_14_7e_e_23e_e:B-Li-O-Sb, expected LiB7SbO23 to be LiB2SbO6" +mp-1100392,LiSiB,-4.8099621533,-0.1387512642,0.0493260173,0.0493260173,GGA,F-43m,ABC_cF12_216_c_a_b:B-Li-Si,3.0,ABC_cF12_216_c_a_b:B-Li-Si +mp-1206402,Mn3HgN,-7.361591122,-0.1363468888,0.1079945152,0.1079945152,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-Mn-N,5.0,AB3C_cP5_221_a_c_b:Hg-Mn-N +mp-570211,HgC2(SeN)2,-5.9123718357,0.1484601865,0.274672109,0.274672109,GGA,P2_1/c,A2BC2D2_mP14_14_e_a_e_e:C-Hg-N-Se,14.0,A2BC2D2_mP14_14_e_a_e_e:C-Hg-N-Se +mp-543031,MnHgC4(SeN)4,-6.7109437529,-0.0173735216,0.1772229582,0.1772229582,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Hg-Mn-N-Se,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Hg-Mn-N-Se +mp-570848,HgCN2,-6.2467587713,0.3045751556,0.3045751556,0.3045751556,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:C-Hg-N,16.0,"Invalid WP multiplicities - ABC2_mP16_14_e_e_6e:C-Hg-N, expected HgCN6 to be HgCN2" +mp-29853,HgCN2,-6.2729122463,0.2784216806,0.2784216806,0.2784216806,GGA,Pbca,ABC2_oP32_61_c_c_2c:C-Hg-N,32.0,ABC2_oP32_61_c_c_2c:C-Hg-N +mp-573909,Hg(CN)2,-6.6616122575,0.4251879825,0.4251879825,0.4251879825,GGA,I-42d,A2BC2_tI40_122_e_d_e:C-Hg-N,20.0,A2BC2_tI40_122_e_d_e:C-Hg-N +mp-1522669,KLaDyBiO6,-7.116998941,-2.699617512,0.0654460856,0.0654460856,GGA,Pnnn,ABCDE6_oP40_48_e_f_ab_cd_3m:Bi-Dy-K-La-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_f_2a2b_cd_6m:Bi-Dy-K-La-O, expected K2LaDyBiO12 to be KLaDyBiO6" +mp-1522772,KLaDyBiO6,-7.007700269,-2.5903188401,0.1747447576,0.1747447576,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-Dy-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-Dy-K-La-O +mp-697948,Cs4Mg3H10,-2.8218200053,-0.3330135295,0.0,-0.0095293907,GGA,Cmce,A4B10C3_oC68_64_2f_e2fg_af:Cs-H-Mg,34.0,A4B10C3_oC68_64_2f_e2fg_af:Cs-H-Mg +mp-1211009,Mg5As4(H11O13)2,-5.7782231047,-1.7450344494,0.0,-0.0013316312,GGA,P-1,A4B22C5D26_aP57_2_2i_11i_a2i_13i:As-H-Mg-O,57.0,A4B22C5D26_aP57_2_2i_11i_a2i_13i:As-H-Mg-O +mp-543056,Mg7As6(HO6)4,-6.2257221002,-2.0440610263,0.1490938274,0.1490938274,GGA,P-1,A6B4C7D24_aP41_2_3i_2i_a3i_12i:As-H-Mg-O,41.0,A6B4C7D24_aP41_2_3i_2i_a3i_12i:As-H-Mg-O +mp-571020,CsMgH3,-2.865838065,-0.3310659536,0.0,-0.003843055,GGA,Pmmn,AB3C_oP30_59_be_ace2f_ae:Cs-H-Mg,30.0,"Invalid WP multiplicities - AB3C_oP30_59_2b3e_2a2c3e4f_2a3e:Cs-H-Mg, expected Cs2Mg2H5 to be CsMgH3" +mp-23751,CsMgH3,-2.861734418,-0.3269623066,0.004103647,0.000260592,GGA,R-3m,AB3C_hR45_166_bc_dh_ac:Cs-H-Mg,15.0,AB3C_hR45_166_bc_dh_ac:Cs-H-Mg +mp-1185571,CsAs(HO2)2,-5.7351238706,-1.7192829066000002,0.0,-0.0404488415,GGA,Fdd2,ABC2D4_oF64_43_a_a_b_2b:As-Cs-H-O,16.0,"Invalid WP multiplicities - ABC2D4_oF64_43_a_a_b_5b:As-Cs-H-O, expected CsAs(HO5)2 to be CsAs(HO2)2" +mp-643895,Cs3MgH5,-2.6575392833,-0.2964151288,0.0,-0.0037735181,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Cs-H-Mg,18.0,A3B5C_tI36_140_ah_cl_b:Cs-H-Mg +mp-720817,MgAsH15O11,-5.4528874986,-1.4684637502,0.0105072728,0.0105072728,GGA,C2/c,AB15CD11_mC224_15_f_ae14f_2e_11f:As-H-Mg-O,112.0,"Invalid WP multiplicities - AB15CD11_mC224_15_f_2c2e55f_3e_41f:As-H-Mg-O, expected Mg3As2(H57O41)2 to be MgAsH15O11" +mp-1204178,Cs2AsH5O6,-5.4311105564,-1.6387044392,0.0,-0.0239478834,GGA,P2_1/c,AB2C5D6_mP56_14_e_2e_5e_6e:As-Cs-H-O,56.0,AB2C5D6_mP56_14_e_2e_5e_6e:As-Cs-H-O +mp-644236,Cs2MgH4,-2.7357942568,-0.3126529748,0.0015385201,0.0015385201,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-H-Mg,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-H-Mg +mp-23752,Cs2MgH4,-2.7304405086,-0.3072992266,0.0068922683,0.0068922683,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-H-Mg,7.0,A2B4C_tI14_139_e_ce_a:Cs-H-Mg +mp-1193046,CsMgAs(H6O5)2,-5.48311622,-1.5897402008,0.0,-0.018559095,GGA,F-43m,ABC12DE10_cF100_216_a_b_h_c_eg:As-Cs-H-Mg-O,25.0,ABC12DE10_cF100_216_a_b_h_c_eg:As-Cs-H-Mg-O +mp-1213043,CsMgAs(H3O2)2,-3.4415173092,0.1967836094,1.6538444531,1.6538444531,GGA,F-43m,ABC6DE4_cF52_216_c_a_f_b_e:As-Cs-H-Mg-O,13.0,ABC6DE4_cF52_216_c_a_f_b_e:As-Cs-H-Mg-O +mp-1212331,MgAsH7O4,-4.9992653921,-1.1688626525,0.1959420944,0.1959420944,GGA,C2/c,AB7CD4_mC104_15_f_7f_2e_4f:As-H-Mg-O,52.0,AB7CD4_mC104_15_f_7f_2e_4f:As-H-Mg-O +mp-1201893,NaNpH2SeO7,-6.9613968219,-2.0298560284,0.0054398997,0.0054398997,GGA,C2/c,A2BCD7E_mC192_15_4f_aef_2f_14f_2f:H-Na-Np-O-Se,96.0,A2BCD7E_mC192_15_4f_cef_2f_14f_2f:H-Na-Np-O-Se +mp-1220802,NaHSeO4,-5.4591845679,-1.4594820448,0.0,-0.0076229096,GGA,P1,ABC4D_aP14_1_2a_2a_8a_2a:H-Na-O-Se,14.0,ABC4D_aP14_1_2a_2a_8a_2a:H-Na-O-Se +mp-644302,NaHSeO4,-5.4571203475,-1.4574178245,0.0020642204,-0.0055586893,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:H-Na-O-Se,28.0,ABC4D_mP28_14_e_e_4e_e:H-Na-O-Se +mp-1194797,Na4H6Se2O11,-5.34291337,-1.558050056,0.0126603508,0.0126603508,GGA,Fdd2,A6B4C11D2_oF184_43_3b_2b_a5b_b:H-Na-O-Se,46.0,A6B4C11D2_oF184_43_3b_2b_a5b_b:H-Na-O-Se +mp-1104761,Na3NpO10,-5.9826048321,-1.2410160697,0.3673817628,0.3673817628,GGA,P-1,A3BC10_aP14_2_ai_e_5i:Na-Np-O,14.0,A3BC10_aP14_2_ai_e_5i:Na-Np-O +mp-1180306,Na3NpO10,-6.0264647814,-1.284876019,0.3235218135,0.3235218135,GGA,P-1,A3BC10_aP14_2_ai_e_5i:Na-Np-O,14.0,A3BC10_aP14_2_ai_e_5i:Na-Np-O +mp-1222149,Na3H5(SeO4)4,-5.4472869454,-1.3736486812,0.0009902193,-0.0028330379,GGA,P1,A5B3C16D4_aP28_1_5a_3a_16a_4a:H-Na-O-Se,28.0,A5B3C16D4_aP28_1_5a_3a_16a_4a:H-Na-O-Se +mp-1193700,Na3H5(SeO4)4,-5.4482771646,-1.3746389005,0.0,-0.0038232571,GGA,P-1,A5B3C16D4_aP28_2_a2i_di_8i_2i:H-Na-O-Se,28.0,A5B3C16D4_aP28_2_a2i_di_8i_2i:H-Na-O-Se +mp-1180594,NaNpSeO6,-7.2874691411,-2.0156526167,0.2707239474,0.2707239474,GGA,C2/m,ABC6D_mC36_12_i_i_g3ij_i:Na-Np-O-Se,18.0,ABC6D_mC36_12_i_i_g3ij_i:Na-Np-O-Se +mp-1202249,Na3Np(H7O6)2,-5.7949553510000005,-1.6691625268,0.0162350813,0.0162350813,GGA,C2/c,A14B3CD12_mC120_15_7f_ef_c_6f:H-Na-Np-O,60.0,A14B3CD12_mC120_15_7f_ef_a_6f:H-Na-Np-O +mp-707395,NaH2SeO4,-5.3798761809,-1.4560457177,0.0096559084,0.0096559084,GGA,Cmc2_1,A2BC4D_oC64_36_2ab_b_4a2b_2a:H-Na-O-Se,32.0,A2BC4D_oC64_36_2ab_b_4a2b_2a:H-Na-O-Se +mp-1095270,Na5NpO6,-6.5600960758,-2.4567178745,0.0,-0.0959073439,GGA,C2/m,A5BC6_mC24_12_agh_d_ij:Na-Np-O,12.0,A5BC6_mC24_12_agh_d_ij:Na-Np-O +mp-726333,Na3NpO8,-6.4142844329,-1.7068789953,0.1695851426,0.1695851426,GGA,P2_1/c,A3BC8_mP24_14_ae_c_4e:Na-Np-O,24.0,A3BC8_mP24_14_ae_c_4e:Na-Np-O +mp-1210355,NaNp(HO2)2,-7.4766574319,-2.3713434432,0.0052151806,0.0052151806,GGA,P2_12_12_1,A2BCD4_oP32_19_2a_a_a_4a:H-Na-Np-O,32.0,A2BCD4_oP32_19_2a_a_a_4a:H-Na-Np-O +mp-754019,Na4NpO5,-6.868439021,-2.5713065799,0.0,-0.0901065647,GGA,I4/m,A4BC5_tI20_87_h_a_bh:Na-Np-O,10.0,A4BC5_tI20_87_h_a_bh:Na-Np-O +mp-1204564,Na4NpH7O9,-6.0213962964,-1.9020076502,0.0037671769,0.0037671769,GGA,P-1,A7B4CD9_aP42_2_7i_4i_i_9i:H-Na-Np-O,42.0,A7B4CD9_aP42_2_7i_4i_i_9i:H-Na-Np-O +mp-1197610,Na3Np(H3O4)2,-6.2167221664,-1.947543193,0.0067501403,0.0067501403,GGA,P2_1/c,A6B3CD8_mP36_14_3e_ae_c_4e:H-Na-Np-O,36.0,A6B3CD8_mP36_14_3e_ae_c_4e:H-Na-Np-O +mp-1220921,Na5H7(Se2O9)2,-5.4081159674,-1.4850056293,0.0042700663,0.0042700663,GGA,P1,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se,34.0,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se +mp-1222390,Na5H7(Se2O9)2,-5.3726594118,-1.4495490737,0.0397266219,0.0397266219,GGA,P1,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se,34.0,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se +mp-1237882,Na5H7(Se2O9)2,-4.9956149512,-1.0725046131,0.4167710825,0.4167710825,GGA,P1,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se,34.0,A7B5C18D4_aP34_1_7a_5a_18a_4a:H-Na-O-Se +mp-722267,Na5H7(Se2O9)2,-5.4073353282,-1.4842249901,0.0050507054,0.0050507054,GGA,P-1,A7B5C18D4_aP34_2_b3i_d2i_9i_2i:H-Na-O-Se,34.0,A7B5C18D4_aP34_2_b3i_d2i_9i_2i:H-Na-O-Se +mp-1220981,Na5H7(Se2O9)2,-5.4102723485,-1.4871620104,0.0021136851,0.0021136851,GGA,Cc,A7B5C18D4_mC136_9_7a_5a_18a_4a:H-Na-O-Se,68.0,A7B5C18D4_mC136_9_7a_5a_18a_4a:H-Na-O-Se +mp-1220837,NaHSeO3,-5.383874485,-1.5420029934,0.0,-0.0161080207,GGA,C2/c,ABC3D_mC96_15_2f_2f_6f_2f:H-Na-O-Se,48.0,ABC3D_mC96_15_2f_2f_6f_2f:H-Na-O-Se +mp-864664,Na3Np(HO3)2,-6.7010751267,-2.2526634667,0.0377495229,-0.0279157783,GGA,Fdd2,A2B3CD6_oF96_43_b_ab_a_3b:H-Na-Np-O,24.0,"Invalid WP multiplicities - A2B3CD6_oF96_43_b_2a2b_a_9b:H-Na-Np-O, expected Na6Np(HO9)2 to be Na3Np(HO3)2" +mp-1180577,Na3Np(HO3)2,-6.7388246496,-2.2904129897,0.0,-0.0656653012,GGA,Fdd2,A2B3CD6_oF96_43_b_ab_a_3b:H-Na-Np-O,24.0,A2B3CD6_oF96_43_b_ab_a_3b:H-Na-Np-O +mp-1180326,Na3NpO6,-6.8647770755,-2.2052282926,0.0465286729,0.0465286729,GGA,Cc,A3BC6_mC40_9_3a_a_6a:Na-Np-O,20.0,A3BC6_oF80_43_ab_a_3b:Na-Np-O +mp-1189822,Na3NpO6,-6.8647103885,-2.2051616056,0.0465953599,0.0465953599,GGA,Fdd2,A3BC6_oF80_43_ab_a_3b:Na-Np-O,20.0,A3BC6_oF80_43_ab_a_3b:Na-Np-O +mp-1220990,NaH3(SeO3)2,-5.4021094396,-1.3877212186,0.0,-0.0074582744,GGA,Pc,A3BC6D2_mP24_7_3a_a_6a_2a:H-Na-O-Se,24.0,A3BC6D2_mP24_7_3a_a_6a_2a:H-Na-O-Se +mp-696842,NaH3(SeO3)2,-5.3765349292,-1.3621467082,0.0255745104,0.018116236,GGA,P2_1/c,A3BC6D2_mP24_14_ae_c_3e_e:H-Na-O-Se,24.0,"Invalid WP multiplicities - A3BC6D2_mP24_14_2a2e_c_9e_e:H-Na-O-Se, expected NaH6(SeO9)2 to be NaH3(SeO3)2" +mp-1201754,Np2H2SeO10,-7.9099478747,-2.2003605385,0.0004187825,0.0004187825,GGA,P2_1/c,A2B2C10D_mP60_14_2e_2e_10e_e:H-Np-O-Se,60.0,A2B2C10D_mP60_14_2e_2e_10e_e:H-Np-O-Se +mp-1199958,Na3NpH2Se2O11,-6.4071584726,-1.92788445,0.0046143776,0.0046143776,GGA,P-1,A2B3CD11E2_aP38_2_2i_3i_i_11i_2i:H-Na-Np-O-Se,38.0,A2B3CD11E2_aP38_2_2i_3i_i_11i_2i:H-Na-Np-O-Se +mp-1213576,Cu8NiSb3S13N6,-4.5458338176,0.4462181689,0.8458616468,0.8458616468,GGA,Fm-3c,A8B6CD13E3_cF248_226_g_f_a_bi_c:Cu-N-Ni-S-Sb,62.0,A8B6CD13E3_cF248_226_g_f_a_bi_c:Cu-N-Ni-S-Sb +mp-1080109,Cu4S3N,-4.3252236387,0.317610262,0.6557281264,0.6557281264,GGA,P4/mmm,A4BC3_tP8_123_i_a_bh:Cu-N-S,8.0,A4BC3_tP8_123_i_a_bh:Cu-N-S +mp-1179558,SbS4N3,-5.1698763125,0.5406593728,0.7128796811,0.7128796811,GGA,P1,A3B4C_aP8_1_3a_4a_a:N-S-Sb,8.0,A3B4C_aP8_1_3a_4a_a:N-S-Sb +mp-1179566,SbS4N3,-5.1706149825,0.5399207028,0.7121410111,0.7121410111,GGA,P1,A3B4C_aP8_1_3a_4a_a:N-S-Sb,8.0,A3B4C_aP8_1_3a_4a_a:N-S-Sb +mp-1390793,SbS4N3,-3.8647873462,1.8457483391,2.0179686473,2.0179686473,GGA,P1,A3B4C_aP8_1_3a_4a_a:N-S-Sb,8.0,A3B4C_aP8_1_3a_4a_a:N-S-Sb +mp-1078865,SbS4N3,-3.6445916987,2.0659439866,2.2381642948,2.2381642948,GGA,Im-3m,A3B4C_cI16_229_b_c_a:N-S-Sb,8.0,A3B4C_cI16_229_b_c_a:N-S-Sb +mp-727231,CuS4N,-4.3421744642,0.4880757129,0.7044128323000001,0.7044128323000001,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:Cu-N-S,24.0,ABC4_oP24_19_a_a_4a:Cu-N-S +mp-1196211,Ni(SN)4,-5.8423376262,0.3434308013,0.5408169464,0.5408169464,GGA,P2_1/c,A4BC4_mP72_14_8e_2e_8e:N-Ni-S,72.0,A4BC4_mP72_14_8e_2e_8e:N-Ni-S +mp-1017556,CuNi3N,-6.037401716,-0.082179389,0.0,-0.034504974,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cu-N-Ni,5.0,ABC3_cP5_221_a_b_c:Cu-N-Ni +mp-1191203,CuNiSbS3,-4.9561620067,-0.5532129749,0.0,-0.0074331133,GGA,P2_12_12_1,ABC3D_oP24_19_a_a_3a_a:Cu-Ni-S-Sb,24.0,ABC3D_oP24_19_a_a_3a_a:Cu-Ni-S-Sb +mp-1247483,Ni3SbN,-6.01554018,-0.054358939,0.1241028783,0.1241028783,GGA,Pm-3m,AB3C_cP5_221_b_c_a:N-Ni-Sb,5.0,AB3C_cP5_221_b_c_a:N-Ni-Sb +mp-1179588,SbS2N,-5.0488419406,0.1357570341,0.4801976505,0.4801976505,GGA,P-1,AB2C_aP16_2_2i_4i_2i:N-S-Sb,16.0,AB2C_aP16_2_2i_4i_2i:N-S-Sb +mp-727164,SbS2N,-4.9706915394,0.2139074353,0.5583480518,0.5583480518,GGA,P-1,AB2C_aP16_2_2i_4i_2i:N-S-Sb,16.0,AB2C_aP16_2_2i_4i_2i:N-S-Sb +mp-1245848,Sb4S3N2,-5.3125066622,-0.2460239499,0.0601454869,0.0601454869,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Sb,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Sb +mp-1226184,Cu7S4N,-4.179713115,0.2850153085,0.5902201306,0.5902201306,GGA,P1,A7BC4_aP12_1_7a_a_4a:Cu-N-S,12.0,A7BC4_aP12_1_7a_a_4a:Cu-N-S +mp-728513,Sb4S7N2,-4.6227817731,0.1575369868,0.5814638994,0.5814638994,GGA,Pbca,A2B7C4_oP104_61_2c_7c_4c:N-S-Sb,104.0,A2B7C4_oP104_61_2c_7c_4c:N-S-Sb +mp-1194705,Sr2P7Cl,-5.1491132001,-0.8370490888000001,0.0,-0.0064935676,GGA,C2/c,AB7C2_mC160_15_2f_14f_2e3f:Cl-P-Sr,80.0,AB7C2_mC160_15_2f_14f_2e3f:Cl-P-Sr +mp-1218624,Sr5Ca5P6(ClO12)2,-7.4448088926,-3.3168830808,0.005789746,0.005789746,GGA,Pm,A5B2C24D6E5_mP42_6_a2c_c_6a6b6c_3a3b_2a3b:Ca-Cl-O-P-Sr,42.0,"Invalid WP multiplicities - A5B2C24D6E5_mP42_6_a3c_c_6a6b12c_3a3b_2a3b:Ca-Cl-O-P-Sr, expected Sr5Ca7P6(ClO18)2 to be Sr5Ca5P6(ClO12)2" +mp-29342,Ca3PCl3,-4.6983366357000005,-2.2732349033,0.0,-0.1594211514,GGA,Pm-3m,A3B3C_cP7_221_d_c_a:Ca-Cl-P,7.0,A3B3C_cP7_221_d_c_a:Ca-Cl-P +mp-554081,Ca2PClO4,-7.1434158263,-3.2609416048,0.0,-0.0115550859,GGA,Pbcm,A2BC4D_oP32_57_cd_d_2e_c:Ca-Cl-O-P,32.0,"Invalid WP multiplicities - A2BC4D_oP32_57_4c4d_d_12e_c:Ca-Cl-O-P, expected Ca8PClO24 to be Ca2PClO4" +mp-23121,Sr5P3ClO12,-7.4225548612,-3.3322607668,0.0,-0.0417035519,GGA,P6_3/m,AB12C3D5_hP42_176_b_2hi_h_fh:Cl-O-P-Sr,42.0,"Invalid WP multiplicities - AB12C3D5_hP42_176_b_2hi_h_2fh:Cl-O-P-Sr, expected Sr7P3ClO12 to be Sr5P3ClO12" +mp-555164,Ca5P3ClO12,-7.4786424161,-3.3130848868,0.0,-0.0113897399,GGA,P2_1/c,A5BC12D3_mP84_14_5e_e_12e_3e:Ca-Cl-O-P,84.0,"Invalid WP multiplicities - A5BC12D3_mP84_14_19e_e_47e_8e:Ca-Cl-O-P, expected Ca19P8ClO47 to be Ca5P3ClO12" +mp-39460,Ca5P3ClO12,-7.4779683895,-3.3124108602,0.0006740265,-0.0107157134,GGA,P6_3,A5BC12D3_hP42_173_2bc_a_4c_c:Ca-Cl-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_173_4b3c_a_22c_c:Ca-Cl-O-P, expected Ca13P3ClO66 to be Ca5P3ClO12" +mp-554236,Ca5P3ClO12,-7.4773010312,-3.3117435019,0.0013413849,-0.010048355,GGA,P6_3/m,A5BC12D3_hP42_176_fh_b_2hi_h:Ca-Cl-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_3f4h_b_10h7i_h:Ca-Cl-O-P, expected Ca18P3ClO72 to be Ca5P3ClO12" +mp-1519670,Sr2DyWO6,-8.102849805,-3.0404461806,0.1235429411,0.1235429411,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-W +mp-1521152,SrEuDyWO6,-8.908353637,-2.9891991779,0.1599285473,0.1599285473,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-Eu-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-Eu-O-Sr-W +mp-1519604,Sr2EuWO6,-8.622637958,-2.9952128376,0.0,-0.024726159,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Eu-O-Sr-W,20.0,AB6C2D_mP20_14_a_3e_e_b:Eu-O-Sr-W +mp-1519635,Sr2EuWO6,-8.5770835325,-2.9496584121,0.0455544255,0.0208282665,GGA+U,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Eu-O-Sr-W,40.0,AB6C2D_cP40_201_b_h_ad_c:Eu-O-Sr-W +mp-1519577,Sr2EuWO6,-8.516258753,-2.8888336326,0.106379205,0.081653046,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Eu-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Eu-O-Sr-W +mp-1518182,Eu2DyWO6,-9.758384889,-2.9824795952,0.1257515991,0.1257515991,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Dy-Eu-O-W +mp-1516593,SrEu(WO3)4,-9.2507508639,-2.4096797134,0.0654133883,0.0654133883,GGA+U,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Eu-O-Sr-W,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Eu-O-Sr-W, expected SrEu(W2O9)2 to be SrEu(WO3)4" +mp-1192750,Rb2Ba6Sb5HO,-4.0038468897,-1.1732243069,0.0134416858,0.0134416858,GGA,I4/mcm,A6BCD2E5_tI60_140_fl_c_b_h_al:Ba-H-O-Rb-Sb,30.0,A6BCD2E5_tI60_140_fl_c_b_h_al:Ba-H-O-Rb-Sb +mp-1104424,Ba8Sb4H2O,-4.181433568,-1.2747705493,0.0,-0.0182670741,GGA,I4/mmm,A8B2CD4_tI30_139_cd2e_e_a_2e:Ba-H-O-Sb,15.0,A8B2CD4_tI30_139_cd2e_e_a_2e:Ba-H-O-Sb +mp-1211297,KTb(MoO4)2,-8.1191292354,-2.534997989,0.0150619298,-0.0072100001,GGA+U,C2/c,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Tb,24.0,AB2C8D_mC48_15_e_f_4f_e:K-Mo-O-Tb +mp-1211409,KTb(MoO4)2,-8.1341911652,-2.5500599188,0.0,-0.0222719299,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Tb,48.0,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Tb +mp-699636,KTb2Cu(MoO4)4,-8.1034167263,-2.3947518247,0.0267608603,0.0267608603,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:Cu-K-Mo-O-Tb,48.0,"Invalid WP multiplicities - ABC4D16E2_mC96_15_e_e_6f_31f_f:Cu-K-Mo-O-Tb, expected KTb2Cu(Mo6O31)2 to be KTb2Cu(MoO4)4" +mp-1212576,K2Cu2(MoO4)3,-7.208276043,-1.8232009852,0.0363137667,0.0363137667,GGA+U,P2_1/c,A2B2C3D12_mP76_14_2e_2e_3e_12e:Cu-K-Mo-O,76.0,A2B2C3D12_mP76_14_2e_2e_3e_12e:Cu-K-Mo-O +mp-704317,K2Cu3(MoO4)4,-7.2558891612,-1.7739676522,0.0228222338,0.0228222338,GGA+U,P2_1/c,A3B2C4D16_mP100_14_3e_2e_4e_16e:Cu-K-Mo-O,100.0,"Invalid WP multiplicities - A3B2C4D16_mP100_14_9e_6e_13e_60e:Cu-K-Mo-O, expected K6Cu9Mo13O60 to be K2Cu3(MoO4)4" +mp-14948,TbCu(MoO4)2,-8.1138178125,-2.2806192558,0.0123461953,0.0123461953,GGA+U,Pbca,AB2C8D_oP96_61_c_2c_8c_c:Cu-Mo-O-Tb,96.0,"Invalid WP multiplicities - AB2C8D_oP96_61_c_3c_11c_c:Cu-Mo-O-Tb, expected TbCuMo3O11 to be TbCu(MoO4)2" +mp-1521252,BaCaHfWO6,-8.70889683,-3.0568941953,0.1809379307,0.1809379307,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Hf-O-W +mp-1048070,BaCa(WO2)4,-8.4105476307,-1.6012186714,0.7391517658000001,0.7391517658000001,GGA+U,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-W,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-W +mp-19098,Ba2CaWO6,-7.881681173,-3.0334999473,0.0,-0.0757453147,GGA+U,C2/m,A2BC6D_mC20_12_i_a_ij_d:Ba-Ca-O-W,10.0,A2BC6D_mC20_12_i_a_ij_d:Ba-Ca-O-W +mp-19182,Ba2CaWO6,-7.879153675,-3.0309724493,0.002527498,-0.0732178167,GGA+U,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Ca-O-W,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Ca-O-W +mp-1520571,Ba2CaWO6,-7.8766884485,-3.0285072228,0.0049927245,-0.0707525902,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Ca-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Ca-O-W +mp-18977,Ba2CaWO6,-7.878640952,-3.0304597263,0.003040221,-0.0727050937,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ca-O-W +mp-1355442,MgV6(FeO6)4,-7.9372426391,-1.9742617711,0.1118568941,0.1118568941,GGA+U,P-1,A4BC24D6_aP35_2_2i_a_12i_3i:Fe-Mg-O-V,35.0,"Invalid WP multiplicities - A4BC24D6_aP35_2_2i_a_13i_5i:Fe-Mg-O-V, expected MgV10(Fe2O13)2 to be MgV6(FeO6)4" +mp-1035698,Mg14VFeO16,-6.6064842438,-2.8844571388,0.0347523832,0.0347523832,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-V, expected Mg18VFeO20 to be Mg14VFeO16" +mp-1035685,Mg14VFeO16,-6.5788736131,-2.8568465081000003,0.0623630139,0.0623630139,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-V, expected Mg30VFeO32 to be Mg14VFeO16" +mp-19067,Mg3V6(FeO6)4,-8.0493574943,-2.3221982922,0.0030701535,0.0030701535,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mg-O-V,37.0,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mg-O-V +mp-2227701,MgV2(FeO4)2,-8.0698423938,-2.2020236015,0.0949980942,0.0949980942,GGA+U,Pm,A2BC8D2_mP13_6_c_a_2a2b2c_ab:Fe-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mP13_6_c_a_2a2b4c_ab:Fe-Mg-O-V, expected MgV2(FeO6)2 to be MgV2(FeO4)2" +mp-2218741,MgV2(FeO4)2,-7.9101032723,-2.04228448,0.2547372158,0.2547372158,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:Fe-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_ac_b_3ij_i:Fe-Mg-O-V, expected MgV2(FeO5)2 to be MgV2(FeO4)2" +mp-2233530,MgV2(FeO4)2,-8.0608040992,-2.1929853069,0.1040363888,0.1040363888,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Fe-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_4cd2e_ab:Fe-Mg-O-V, expected MgV2(FeO7)2 to be MgV2(FeO4)2" +mp-756231,TiV4FeO12,-8.6190419039,-2.3934084571,0.1257441365,0.1257441365,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Fe-O-Ti-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Fe-O-Ti-V, expected TiV8FeO24 to be TiV4FeO12" +mp-1022206,Mg6VFe,-3.0946799825,0.299770965,0.3501836703,0.3501836703,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Fe-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Fe-Mg-V, expected Mg12VFe to be Mg6VFe" +mp-1022246,Mg6VFe,-3.1067437538,0.2877071938,0.3381198991,0.3381198991,GGA,Amm2,AB6C_oC16_38_a_abde_b:Fe-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Fe-Mg-V, expected Mg12VFe to be Mg6VFe" +mp-1036997,Mg30VFeO32,-6.4521024863,-2.9543467434,0.0322781672,0.0322781672,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-V, expected Mg90VFeO80 to be Mg30VFeO32" +mp-1037070,Mg30VFeO32,-6.4700095044,-2.9722537616,0.0143711491,0.0143711491,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-V, expected Mg110VFeO72 to be Mg30VFeO32" +mp-2230449,MgTiV4FeO12,-8.5095810032,-2.5273872089,0.0996313938,0.0996313938,GGA+U,C2,ABC12DE4_mC38_5_a_a_6c_b_2c:Fe-Mg-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_a_a_12c_b_4c:Fe-Mg-O-Ti-V, expected MgTiV8FeO24 to be MgTiV4FeO12" +mp-2231747,MgTiV4FeO12,-8.5091715658,-2.5269777715,0.1000408312,0.1000408312,GGA+U,C2,ABC12DE4_mC38_5_b_a_6c_a_2c:Fe-Mg-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_b_a_12c_a_4c:Fe-Mg-O-Ti-V, expected MgTiV8FeO24 to be MgTiV4FeO12" +mp-2230433,MgV5FeO12,-8.4061382121,-2.3613963097,0.1043545525,0.1043545525,GGA+U,P1,ABC12D5_aP19_1_a_a_12a_5a:Fe-Mg-O-V,19.0,ABC12D5_aP19_1_a_a_12a_5a:Fe-Mg-O-V +mp-2230889,MgV5FeO12,-8.4054516563,-2.3607097539,0.1050411083,0.1050411083,GGA+U,P1,ABC12D5_aP19_1_a_a_12a_5a:Fe-Mg-O-V,19.0,ABC12D5_aP19_1_a_a_12a_5a:Fe-Mg-O-V +mp-2230701,MgV4(FeO6)2,-8.25942187,-2.2469896971,0.108169535,0.108169535,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Fe-Mg-O-V,19.0,"Invalid WP multiplicities - A2BC12D4_mC38_5_ab_a_12c_4c:Fe-Mg-O-V, expected MgV8(FeO12)2 to be MgV4(FeO6)2" +mp-1027983,Mg14VFe,-2.3167150794,0.1806504194,0.2145116078,0.2145116078,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Fe-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Fe-Mg-V, expected Mg18VFe to be Mg14VFe" +mp-1027874,Mg14VFe,-2.3412303675,0.1561351312,0.1899963197,0.1899963197,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Fe-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Fe-Mg-V, expected Mg26VFe to be Mg14VFe" +mp-2232773,MgV2(FeO2)4,-8.0177845,-1.8030053853,0.2506057111,0.2506057111,GGA+U,P-1,A4BC8D2_aP15_2_abi_c_4i_de:Fe-Mg-O-V,15.0,"Invalid WP multiplicities - A4BC8D2_aP15_2_abi_c_7i_de:Fe-Mg-O-V, expected MgV2(Fe2O7)2 to be MgV2(FeO2)4" +mp-2233255,MgV2(FeO2)4,-8.0788622507,-1.864083136,0.1895279604,0.1895279604,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Mg-O-V,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a3b_2a:Fe-Mg-O-V, expected MgV2(Fe2O5)2 to be MgV2(FeO2)4" +mp-2232835,MgV2(FeO2)4,-7.686793226,-1.4720141113,0.5815969851,0.5815969851,GGA+U,Imm2,A4BC8D2_oI30_44_abc_a_2c2d_d:Fe-Mg-O-V,15.0,"Invalid WP multiplicities - A4BC8D2_oI30_44_abc_a_3c3d_d:Fe-Mg-O-V, expected MgV2(FeO3)4 to be MgV2(FeO2)4" +mp-2218871,MgV3FeO8,-8.2038299123,-2.2887892077,0.169866409,0.169866409,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V +mp-2219076,MgV3FeO8,-8.1765449108,-2.2615042062,0.1971514106,0.1971514106,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V +mp-2219241,MgV3FeO8,-8.1683197177,-2.2532790131,0.2053766037,0.2053766037,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V +mp-2219356,MgV3FeO8,-8.1815284131,-2.2664877085,0.1921679083,0.1921679083,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Fe-Mg-O-V +mp-2218985,MgV3FeO8,-8.2356055869,-2.3205648823,0.1380907344,0.1380907344,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Fe-Mg-O-V +mp-2227000,MgV3FeO8,-8.2350672362,-2.3200265315,0.1386290852,0.1386290852,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Fe-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Fe-Mg-O-V +mp-1032499,Mg6VFeO8,-6.8822462387000005,-2.7116764094,0.0727023352,0.0727023352,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-V, expected Mg6VFeO12 to be Mg6VFeO8" +mp-1032542,Mg6VFeO8,-6.8136692362,-2.6430994069,0.1412793377,0.1412793377,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-V, expected Mg6VFeO12 to be Mg6VFeO8" +mp-769329,RbLi2B3Sb2O9,-6.9102120729,-2.3446381906,0.0854939695,0.0854939695,GGA,P2/c,A3B2C9DE2_mP34_13_eg_g_e4g_f_g:B-Li-O-Rb-Sb,34.0,"Invalid WP multiplicities - A3B2C9DE2_mP34_13_e2g_g_e8g_f_g:B-Li-O-Rb-Sb, expected RbLi2B5Sb2O17 to be RbLi2B3Sb2O9" +mp-1020620,Rb5Li6(BO2)11,-7.2055935807,-2.6906692923,0.0,-0.0007445139,GGA,C2,A11B6C22D5_mC88_5_a5c_3c_2a10c_b2c:B-Li-O-Rb,44.0,A11B6C22D5_mC88_5_a5c_3c_2a10c_b2c:B-Li-O-Rb +mp-6787,RbLiB4O7,-7.7344302714,-2.7933652713,0.0,-0.0072556726,GGA,P2_12_12_1,A4BC7D_oP104_19_8a_2a_14a_2a:B-Li-O-Rb,104.0,A4BC7D_oP104_19_8a_2a_14a_2a:B-Li-O-Rb +mp-1209317,RbB2SbO6,-7.2452507145,-2.4304056023,0.0400428477,0.0400428477,GGA,Pmn2_1,A2B6CD_oP20_31_b_2a2b_a_a:B-O-Rb-Sb,20.0,A2B6CD_oP20_31_b_2a2b_a_a:B-O-Rb-Sb +mp-1020664,Rb2Li5(BO2)7,-7.2647828437,-2.710673314,0.0,-0.0021912747,GGA,Ama2,A7B5C14D2_oC112_40_b3c_b2c_2b6c_c:B-Li-O-Rb,56.0,A7B5C14D2_oC112_40_b3c_b2c_2b6c_c:B-Li-O-Rb +mp-1048604,YTi3Se2ClO8,-7.8549837877,-2.6171960231,0.3314892456,0.3314892456,GGA,P1,AB8C2D3E_aP30_1_2a_16a_4a_6a_2a:Cl-O-Se-Ti-Y,30.0,AB8C2D3E_aP30_1_2a_16a_4a_6a_2a:Cl-O-Se-Ti-Y +mp-1211901,KLaTiO4,-8.2081003886,-3.3897214009,0.0001296136,-4.46438e-05,GGA,Pbcm,ABC4D_oP28_57_d_d_2c2d_d:K-La-O-Ti,28.0,ABC4D_oP28_57_d_d_2c2d_d:K-La-O-Ti +mp-1104930,KLaTiO4,-8.2082300021,-3.3898510145,0.0,-0.0001742573,GGA,P4/nmm,ABC4D_tP14_129_c_c_2cf_c:K-La-O-Ti,14.0,ABC4D_tP14_129_c_c_2cf_c:K-La-O-Ti +mp-1520545,KLaHf4O12,-9.0709579733,-3.2245453785,0.1858132673,0.1858132673,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Hf-K-La-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Hf-K-La-O, expected KLaHf4O18 to be KLaHf4O12" +mp-1516714,KLaTi4O12,-8.3236062411,-2.9353485381,0.1754307822,0.1754307822,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-La-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-La-O-Ti, expected KLaTi4O18 to be KLaTi4O12" +mp-1516609,KLaHfTiO6,-8.864735505,-3.5068135684,0.0951981217,0.0951981217,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-La-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-La-O-Ti +mp-6548,K2La2Ti3O10,-8.4494549212,-3.4349740231,0.0008599387,0.0008599387,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:K-La-O-Ti,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_c3eg_ae:K-La-O-Ti, expected K2La2Ti3O12 to be K2La2Ti3O10" +mp-1520574,KLaHf2O6,-9.183336139,-3.619244501,0.0856186624,0.0856186624,GGA,Fm-3m,A2BCD6_cF40_225_c_a_b_d:Hf-K-La-O,10.0,A2BCD6_cF40_225_c_a_b_d:Hf-K-La-O +mp-2230112,Na2MgW4O13,-8.2172711685,-2.1980309283,0.1053548168,0.1053548168,GGA+U,P1,AB2C13D4_aP20_1_a_2a_13a_4a:Mg-Na-O-W,20.0,AB2C13D4_aP20_1_a_2a_13a_4a:Mg-Na-O-W +mp-19463,Na5Tb(WO4)4,-7.8683221877,-2.3980709236,0.0151467208,0.0151467208,GGA+U,I4_1/a,A5B16CD4_tI104_88_af_4f_b_f:Na-O-Tb-W,52.0,"Invalid WP multiplicities - A5B16CD4_tI104_88_af_5f_b_f:Na-O-Tb-W, expected Na5Tb(WO5)4 to be Na5Tb(WO4)4" +mp-1017336,NaMg6W,-2.68355795,0.3017340279,0.3196846474,0.3196846474,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-W,16.0,"Invalid WP multiplicities - A6BC_tP8_123_2e2j_b_d:Mg-Na-W, expected NaMg12W to be NaMg6W" +mp-1099339,NaMg6W,-2.5727278262,0.4125641517,0.4305147711,0.4305147711,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-W,8.0,A6BC_oC16_38_abde_a_b:Mg-Na-W +mp-1098251,NaMg6W,-2.6864119975,0.2988799804,0.3168305999,0.3168305999,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Na-W,8.0,A6BC_tP8_123_ej_b_d:Mg-Na-W +mp-1210564,Na3Mg2(WO4)3,-7.5905478388,-2.3204082785,0.0765722759,0.0765722759,GGA+U,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:Mg-Na-O-W,40.0,A2B3C12D3_mC80_15_f_a2e_6f_ef:Mg-Na-O-W +mp-1039781,NaMg30WO32,-6.3973143342,-2.9507034626,0.0339273807,0.0339273807,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Na-O-W,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Na-O-W, expected NaMg110WO72 to be NaMg30WO32" +mp-1039782,NaMg30WO32,-6.3978648419,-2.9512539703,0.0333768731,0.0333768731,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Na-O-W,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Na-O-W, expected NaMg90WO80 to be NaMg30WO32" +mp-1034599,NaMg14WO16,-6.4582358353,-2.8384984727,0.0767229146,0.0767229146,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Na-O-W,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Na-O-W, expected NaMg18WO20 to be NaMg14WO16" +mp-1034607,NaMg14WO16,-6.4557586597,-2.8360212971000003,0.0792000902,0.0792000902,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Na-O-W,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Na-O-W, expected NaMg30WO32 to be NaMg14WO16" +mp-1518133,Na2TbWO6,-7.462561479,-2.4707935606,0.0887902306,0.0887902306,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Na-O-Tb-W,10.0,A2B6CD_cF40_225_c_e_a_b:Na-O-Tb-W +mp-2232117,Na4Mg(WO4)2,-6.8883500627,-2.0630066377,0.2025310443,0.2025310443,GGA+U,Imm2,AB4C8D2_oI30_44_a_cd_2c2d_ab:Mg-Na-O-W,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_2cd_4c2d_ab:Mg-Na-O-W, expected Na6Mg(WO6)2 to be Na4Mg(WO4)2" +mp-2232224,Na4Mg(WO4)2,-6.9078974933,-2.0825540684,0.1829836137,0.1829836137,GGA+U,Imm2,AB4C8D2_oI30_44_a_cd_2c2d_ab:Mg-Na-O-W,15.0,"Invalid WP multiplicities - AB4C8D2_oI30_44_a_2cd_4c2d_ab:Mg-Na-O-W, expected Na6Mg(WO6)2 to be Na4Mg(WO4)2" +mp-2232475,Na4Mg(WO4)2,-6.659165386,-1.8338219611,0.431715721,0.431715721,GGA+U,R-3m,AB4C8D2_hR45_166_b_ad_ch_c:Mg-Na-O-W,15.0,"Invalid WP multiplicities - AB4C8D2_hR45_166_b_ad_2c2h_c:Mg-Na-O-W, expected Na4Mg(WO8)2 to be Na4Mg(WO4)2" +mp-2232667,Na4Mg(WO4)2,-6.6804374153,-1.8550939904,0.4104436917,0.4104436917,GGA+U,F-43m,AB4C8D2_cF60_216_a_e_2e_bc:Mg-Na-O-W,15.0,AB4C8D2_cF60_216_a_e_2e_bc:Mg-Na-O-W +mp-2231526,Tb4Mg(WO6)2,-8.64596921,-3.0978497655,0.1835153078,0.1835153078,GGA+U,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Tb-W,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Tb-W +mp-2231107,Tb4Mg(WO6)2,-8.7333786537,-3.1852592092,0.0961058641,0.0961058641,GGA+U,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Tb-W,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-Tb-W +mp-1030710,NaMg6WO8,-6.5693717087,-2.6033813642,0.1730211111,0.1730211111,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Na-O-W,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Na-O-W, expected NaMg6WO12 to be NaMg6WO8" +mp-1030726,NaMg6WO8,-6.6002203244,-2.6342299798,0.1421724955,0.1421724955,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Na-O-W,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Na-O-W, expected NaMg6WO12 to be NaMg6WO8" +mp-1026665,NaMg14W,-2.0908346275,0.2019513865,0.2228937758,0.2228937758,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-W, expected NaMg18W to be NaMg14W" +mp-1026666,NaMg14W,-2.1096900181,0.1830959958,0.2040383852,0.2040383852,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-W, expected NaMg26W to be NaMg14W" +mp-1194741,Si2Te(H3C)6,-5.0617104433,-0.2307843797,0.0170450988,0.0170450988,GGA,C2/c,A6B18C2D_mC108_15_3f_9f_f_e:C-H-Si-Te,54.0,A6B18C2D_mC108_15_3f_9f_f_e:C-H-Si-Te +mp-1204603,Si10BiTe2H73C25,-5.0801122574,-0.190329196,0.0566442892,0.0566442892,GGA,P2_1/c,AB25C73D10E2_mP444_14_e_25e_73e_10e_2e:Bi-C-H-Si-Te,444.0,AB25C73D10E2_mP444_14_e_25e_73e_10e_2e:Bi-C-H-Si-Te +mp-1520482,KEuFeSnO6,-7.355420859,-2.0027082511,0.1786024883,0.1786024883,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-K-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-K-O-Sn +mp-1223574,KFeSn3O8,-6.73068047,-2.0243231306,0.0,-0.0014289468,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Fe-K-O-Sn,13.0,ABC8D3_mC26_8_a_a_8a_3a:Fe-K-O-Sn +mp-1519988,KEu(FeO3)4,-7.0846370111,-1.2730953377,0.2827696271,0.2827696271,GGA+U,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Eu-Fe-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Eu-Fe-K-O, expected KEu(Fe2O9)2 to be KEu(FeO3)4" +mp-1518275,KEu(SnO3)2,-7.125434477,-2.2187668046,0.1747971685,0.1747971685,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Eu-K-O-Sn,10.0,ABC6D2_cF40_225_a_b_d_c:Eu-K-O-Sn +mp-1205841,Y6FeBi2,-6.5596739511,-0.4541377122,0.0,-0.002098509,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Bi-Fe-Y,9.0,A2BC6_hP9_189_c_b_fg:Bi-Fe-Y +mp-1022730,YFe2Bi2(SeO2)2,-6.8619400691,-1.6013882879,0.1800721695,0.1800721695,GGA+U,I4/mmm,A2B2C4D2E_tI22_139_e_d_g_e_a:Bi-Fe-O-Se-Y,11.0,A2B2C4D2E_tI22_139_e_d_g_e_a:Bi-Fe-O-Se-Y +mp-1519478,NaLiHfWO6,-8.309493585,-2.7268036162,0.080373809,0.080373809,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-Li-Na-O-W,,ABCD6E_cF40_216_a_c_d_f_b:Hf-Li-Na-O-W +mp-1192702,BaV2Cu(AgO4)2,-6.8718423093,-1.912941206,0.0414671368,0.0414671368,GGA+U,P-1,A2BCD8E2_aP28_2_2i_i_ab_8i_2i:Ag-Ba-Cu-O-V,28.0,A2BCD8E2_aP28_2_2i_i_ab_8i_2i:Ag-Ba-Cu-O-V +mp-510659,VCuAgO4,-6.5847419161000005,-1.4701099749,0.0466520614,0.0466520614,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ag-Cu-O-V,28.0,ABC4D_oP28_62_c_a_2cd_c:Ag-Cu-O-V +mp-557454,BaV2(CuO4)2,-7.3424993463,-2.1225985687,0.0331458954,0.0331458954,GGA+U,I-42d,AB2C8D2_tI104_122_ab_e_4e_2d:Ba-Cu-O-V,52.0,"Invalid WP multiplicities - AB2C8D2_tI104_122_2a2b_e_26e_3d:Ba-Cu-O-V, expected Ba2V3(CuO26)2 to be BaV2(CuO4)2" +mp-541824,BaV2CuO7,-7.7118437593,-2.3652242385,0.0109408392,0.0109408392,GGA+U,Pnma,ABC7D2_oP44_62_c_c_3c2d_2c:Ba-Cu-O-V,44.0,ABC7D2_oP44_62_c_c_3c2d_2c:Ba-Cu-O-V +mp-1046611,Sr3Fe2S2O5,-6.6601731933,-2.0756010208,0.2184245113,0.2184245113,GGA+U,I4/mmm,A2B5C2D3_tI24_139_e_ag_e_be:Fe-O-S-Sr,12.0,A2B5C2D3_tI24_139_e_ag_e_be:Fe-O-S-Sr +mp-1337045,CaFe2S5,-5.8067620588,-0.8532756045000001,0.3827891862,0.3827891862,GGA,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Fe-S,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Fe-S +mp-1095280,SrFe2S2O,-6.7961418717,-1.4879544853,0.0590398179,0.0590398179,GGA+U,Pmmn,A2BC2D_oP12_59_e_a_e_b:Fe-O-S-Sr,12.0,A2BC2D_oP12_59_e_a_e_b:Fe-O-S-Sr +mp-1387732,Ca(FeS2)4,-6.1848990362,-0.8789541396,0.1940208477,0.1940208477,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Fe-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Fe-S, expected Ca(Fe2S7)2 to be Ca(FeS2)4" +mp-1393788,Ca(FeS2)4,-6.1060407062,-0.8000958096,0.2728791777,0.2728791777,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Ca-Fe-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Ca-Fe-S, expected Ca(Fe2S7)2 to be Ca(FeS2)4" +mp-1048660,Sr4CaFe2(SO3)2,-6.4179677680000005,-2.174191227,0.3330095788,0.3330095788,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Fe-O-S-Sr,15.0,"Invalid WP multiplicities - AB2C6D2E4_tP15_115_a_g_e2fg_g_2g:Ca-Fe-O-S-Sr, expected Sr4CaFe2(SO4)2 to be Sr4CaFe2(SO3)2" +mp-1046652,Sr2FeSO3,-6.6362639236,-2.2326176211,0.1822452954,0.1822452954,GGA+U,P4/nmm,AB3CD2_tP14_129_c_cf_c_2c:Fe-O-S-Sr,14.0,AB3CD2_tP14_129_c_cf_c_2c:Fe-O-S-Sr +mp-530391,Sr(FeS2)2,-6.0960819745,-1.0710340686,0.1932928727,0.1932928727,GGA,Pban,A2B4C_oP56_50_2m_4m_acg:Fe-S-Sr,56.0,"Invalid WP multiplicities - A2B4C_oP56_50_3m_28m_2ac3g:Fe-S-Sr, expected Sr9(Fe3S28)4 to be Sr(FeS2)2" +mp-1218900,Sr(FeS2)2,-6.11117583,-1.0861279242,0.1781990171,0.1781990171,GGA,I422,A2B4C_tI14_97_c_j_a:Fe-S-Sr,7.0,A2B4C_tI14_97_c_j_a:Fe-S-Sr +mp-1218367,Sr3CaS4,-5.3355115212,-2.3830265578,0.0132561125,0.0132561125,GGA,Cmmm,AB4C3_oC16_65_a_gj_bf:Ca-S-Sr,8.0,AB4C3_oC16_65_a_gj_bf:Ca-S-Sr +mp-1218330,SrCaS2,-5.360037505,-2.3680392382,0.0294600625,0.0294600625,GGA,P4/mmm,AB2C_tP4_123_a_bc_d:Ca-S-Sr,4.0,AB2C_tP4_123_a_bc_d:Ca-S-Sr +mp-1233446,Sr4Ca(SO4)4,-6.6827430884,-2.5044873868,0.2236631585,0.2236631585,GGA,Pm,AB16C4D4_mP25_6_a_4a4b4c_2a2b_2a2b:Ca-O-S-Sr,25.0,"Invalid WP multiplicities - AB16C4D4_mP25_6_a_4a4b8c_2a2b_2a2b:Ca-O-S-Sr, expected Sr4Ca(SO6)4 to be Sr4Ca(SO4)4" +mp-1078415,CaFeSO,-6.8249615212,-1.9352716042,0.0970136425,0.0970136425,GGA+U,P6_3mc,ABCD_hP8_186_b_a_a_b:Ca-Fe-O-S,8.0,ABCD_hP8_186_b_a_a_b:Ca-Fe-O-S +mp-1045352,Ca(FeS2)2,-5.9617269379,-0.8915209711000001,0.374196405,0.374196405,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Fe-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h3i:Ca-Fe-S, expected Ca(FeS6)2 to be Ca(FeS2)2" +mp-1045503,Ca(FeS2)2,-6.0721344529,-1.0019284861,0.26378889,0.26378889,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Ca-Fe-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Ca-Fe-S, expected Ca(Fe2S7)2 to be Ca(FeS2)2" +mp-1393719,Ca(FeS2)2,-6.0538819864,-0.9836760196,0.2820413564,0.2820413564,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Fe-S,14.0,AB2C4_tI28_141_a_d_h:Ca-Fe-S +mp-1388111,Ca(FeS2)2,-5.9690962193,-0.8988902525,0.3668271236,0.3668271236,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Fe-S,14.0,AB2C4_cF56_227_a_d_e:Ca-Fe-S +mp-1224755,Fe2AsO4F,-7.2985632478,-1.8863889181,0.0,-0.0306366771,GGA+U,Cc,ABC2D4_mC64_9_2a_2a_4a_8a:As-F-Fe-O,32.0,"Invalid WP multiplicities - ABC2D4_mC64_9_3a_2a_6a_12a:As-F-Fe-O, expected Fe6As3(O6F)2 to be Fe2AsO4F" +mp-697821,Sm6Fe6As6O5F,-7.2561045558,-1.6839680132,0.2718124087,0.2718124087,GGA+U,P2_1/m,A6BC6D5E6_mP48_11_2e2f_e_2e2f_e2f_2e2f:As-F-Fe-O-Sm,48.0,"Invalid WP multiplicities - A6BC6D5E6_mP48_11_4e2f_e_2e4f_2e2f_4e4f:As-F-Fe-O-Sm, expected Sm12Fe10As8O6F to be Sm6Fe6As6O5F" +mp-2228632,MgFe2(SO5)2,-6.997606876,-1.9122662549,0.1223010924,0.1223010924,GGA+U,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Fe-Mg-O-S,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Fe-Mg-O-S +mp-2228654,MgFe2(SO5)2,-7.0140413607,-1.9287007396,0.1058666078,0.1058666078,GGA+U,P-1,A2BC10D2_aP15_2_ab_c_5i_i:Fe-Mg-O-S,15.0,"Invalid WP multiplicities - A2BC10D2_aP15_2_ab_c_9i_i:Fe-Mg-O-S, expected MgFe2(SO9)2 to be MgFe2(SO5)2" +mp-1210895,Mg5Fe6(S3O5)2,-5.8863752963,-0.9564821917,0.9835938689,0.9835938689,GGA+U,P1,A6B5C10D6_aP27_1_6a_5a_10a_6a:Fe-Mg-O-S,27.0,A6B5C10D6_aP27_1_6a_5a_10a_6a:Fe-Mg-O-S +mp-2219214,CsMgFe(SO4)2,-6.3982560285,-1.8742473319,0.3020356789,0.3020356789,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cs-Fe-Mg-O-S,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cs-Fe-Mg-O-S +mp-2218960,CsMgFe(SO4)2,-6.4578024046,-1.933793708,0.2424893028,0.2424893028,GGA+U,P3,ABCD8E2_hP13_143_b_b_a_ac2d_ac:Cs-Fe-Mg-O-S,13.0,"Invalid WP multiplicities - ABCD8E2_hP13_143_b_b_a_ac5d_ac:Cs-Fe-Mg-O-S, expected CsMgFeS2O17 to be CsMgFe(SO4)2" +mp-1203755,Cs11Fe10S16O,-5.2614526263,-0.9014651323,0.1439777205,0.1439777205,GGA+U,I4/mmm,A11B10CD16_tI76_139_aehi_dk_b_mn:Cs-Fe-O-S,38.0,A11B10CD16_tI76_139_aehi_dk_b_mn:Cs-Fe-O-S +mp-1182623,MgFe4(S3O23)2,-5.5533966079,-0.5034537165,0.7101888424,0.7101888424,GGA+U,P-1,A4BC46D6_aP57_2_2i_a_23i_3i:Fe-Mg-O-S,57.0,A4BC46D6_aP57_2_2i_a_23i_3i:Fe-Mg-O-S +mp-1201359,MgFe4(S3O23)2,-5.721254394,-0.6713115027000001,0.5423310563,0.5423310563,GGA+U,P-1,A4BC46D6_aP57_2_2i_a_23i_3i:Fe-Mg-O-S,57.0,A4BC46D6_aP57_2_2i_a_23i_3i:Fe-Mg-O-S +mp-560628,CsFe(SO4)2,-6.7688175777,-2.0011648272,0.0,-0.044269184,GGA+U,P-3,ABC8D2_hP12_147_a_b_dg_d:Cs-Fe-O-S,48.0,ABC8D2_hP12_147_a_b_dg_d:Cs-Fe-O-S +mp-2217194,Cs2Mg(FeS2)2,-5.0355576333,-0.9381213354,0.1916575596,0.1916575596,GGA,Imm2,A2B2CD4_oI18_44_2b_c_a_2ad:Cs-Fe-Mg-S,9.0,A2B2CD4_oI18_44_2b_c_a_2ad:Cs-Fe-Mg-S +mp-752576,Li6Fe5WO12,-7.1818580675,-1.9267731502,0.0665530702,0.0665530702,GGA+U,Cm,A5B6C12D_mC48_8_a2b_2a2b_4a4b_a:Fe-Li-O-W,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_8_a3b_2a4b_4a8b_a:Fe-Li-O-W, expected Li10Fe7WO20 to be Li6Fe5WO12" +mp-1176996,Li6Fe5WO12,-7.1755935654,-1.9205086481,0.0728175723,0.0728175723,GGA+U,C2/m,A5B6C12D_mC48_12_agh_ij_2i2j_d:Fe-Li-O-W,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_12_ag2h_i2j_3i6j_c:Fe-Li-O-W, expected Li10Fe7WO30 to be Li6Fe5WO12" +mp-780661,Li3Fe3(WO6)2,-7.8358107102,-2.015142849,0.0798602368,0.0798602368,GGA+U,P2_1/c,A3B3C12D2_mP80_14_3e_3e_12e_2e:Fe-Li-O-W,80.0,"Invalid WP multiplicities - A3B3C12D2_mP80_14_11e_9e_43e_2e:Fe-Li-O-W, expected Li9Fe11W2O43 to be Li3Fe3(WO6)2" +mp-771171,Li7Fe3(WO8)2,-7.0700701136,-1.9330771301,0.0805374757,0.0805374757,GGA+U,Cm,A3B7C16D2_mC56_8_ab_5ab_8a4b_2a:Fe-Li-O-W,28.0,"Invalid WP multiplicities - A3B7C16D2_mC56_8_ab_5a2b_8a6b_2a:Fe-Li-O-W, expected Li9Fe3(WO10)2 to be Li7Fe3(WO8)2" +mp-1222548,LiNbWO6,-8.5583830517,-2.4863285623,0.0990785985,0.0990785985,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_b:Li-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e4j_b:Li-Nb-O-W, expected LiNbWO20 to be LiNbWO6" +mp-32244,LiNbWO6,-8.6336770867,-2.5616225973,0.0237845635,0.0237845635,GGA+U,P-42_1m,ABC6D_tP18_113_c_c_3e_c:Li-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_tP18_113_c_c_5e_c:Li-Nb-O-W, expected LiNbWO10 to be LiNbWO6" +mp-1222358,LiNbWO6,-8.6437878478,-2.5717333584,0.0136738024,0.0136738024,GGA+U,R3,ABC6D_hR27_146_a_a_2b_a:Li-Nb-O-W,9.0,ABC6D_hR27_146_a_a_2b_a:Li-Nb-O-W +mp-756528,Li4Fe3WO8,-7.33849705,-1.9899098615,0.0272930219,0.0272930219,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Fe-Li-O-W,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Fe-Li-O-W, expected Li4Fe3WO16 to be Li4Fe3WO8" +mp-1273740,Li2FeWO6,-7.47904763,-1.9864346859,0.0877076977,0.0877076977,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Fe-Li-O-W,20.0,AB2C6D_aP10_1_a_2a_6a_a:Fe-Li-O-W +mp-774932,Li2FeWO6,-7.480431713,-1.9878187689,0.0863236147,0.0863236147,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Li-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Fe-Li-O-W +mp-755203,Li4NbFe(WO6)2,-7.948203367,-2.3740262314,0.021564977,0.021564977,GGA+U,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Fe-Li-Nb-O-W,40.0,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Fe-Li-Nb-O-W +mp-16933,LiFe(WO4)2,-8.3020029492,-1.9796100969,0.1584204293,0.1584204293,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Fe-Li-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Fe-Li-O-W +mp-1177973,Li2Fe3WO8,-7.7829783316,-1.9430105257,0.0565016502,0.0565016502,GGA+U,P1,A3B2C8D_aP56_1_12a_8a_32a_4a:Fe-Li-O-W,56.0,A3B2C8D_aP56_1_12a_8a_32a_4a:Fe-Li-O-W +mp-775493,Li2Fe3WO8,-7.7872379784,-1.9472701724,0.0522420034,0.0522420034,GGA+U,C2,A3B2C8D_mC112_5_ab5c_4c_16c_abc:Fe-Li-O-W,56.0,"Invalid WP multiplicities - A3B2C8D_mC112_5_ab10c_6c_32c_abc:Fe-Li-O-W, expected Li6Fe11(WO16)2 to be Li2Fe3WO8" +mp-1177969,Li2Fe3WO8,-7.7795745743,-1.9396067683,0.0599054075,0.0599054075,GGA+U,Cc,A3B2C8D_mC56_9_3a_2a_8a_a:Fe-Li-O-W,28.0,"Invalid WP multiplicities - A3B2C8D_mC56_9_5a_3a_14a_a:Fe-Li-O-W, expected Li3Fe5WO14 to be Li2Fe3WO8" +mp-777721,Li2Fe3WO8,-7.7537157057,-1.9137478998,0.0857642761,0.0857642761,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-W,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Fe-Li-O-W, expected Li2Fe3WO10 to be Li2Fe3WO8" +mp-1211052,Li2Fe2(WO4)3,-8.3570924043,-2.0943269634,0.0506320099,0.0506320099,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Fe-Li-O-W,76.0,A2B2C12D3_oP76_60_d_d_6d_cd:Fe-Li-O-W +mp-776460,Li4Fe(WO4)3,-7.9276624945,-2.2106440994,0.0435874925,0.0435874925,GGA+U,P1,AB4C12D3_aP20_1_a_4a_12a_3a:Fe-Li-O-W,20.0,AB4C12D3_aP20_1_a_4a_12a_3a:Fe-Li-O-W +mp-787524,Li4Fe(WO4)3,-7.9296189608,-2.2126005657,0.0416310262,0.0416310262,GGA+U,P2,AB4C12D3_mP20_3_a_abcd_6e_bcd:Fe-Li-O-W,40.0,"Invalid WP multiplicities - AB4C12D3_mP20_3_a_abcd_6e_2bcd:Fe-Li-O-W, expected Li4Fe(WO3)4 to be Li4Fe(WO4)3" +mp-1222998,Li2Nb2W2O13,-8.3375145274,-2.3246898158,0.1246432839,0.1246432839,GGA+U,Imm2,A2B2C13D2_oI38_44_c_d_2a3b2e_c:Li-Nb-O-W,19.0,"Invalid WP multiplicities - A2B2C13D2_oI38_44_c_d_2a3b4e_c:Li-Nb-O-W, expected Li2Nb2W2O21 to be Li2Nb2W2O13" +mp-1223042,Li2Fe(WO4)2,-8.0427115446,-2.0598163836,0.14117983,0.14117983,GGA+U,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Fe-Li-O-W,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Fe-Li-O-W +mp-1210849,Li2Fe(WO4)2,-8.1828246577,-2.1999294967,0.0010667169,0.0010667169,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Fe-Li-O-W,26.0,AB2C8D2_aP13_2_a_i_4i_i:Fe-Li-O-W +mp-772992,Li9Fe3(WO4)7,-7.9546845036,-2.1716086535,0.0512794117,0.0512794117,GGA+U,R3m,A3B9C28D7_hR141_160_b_bc_a5b2c_a2b:Fe-Li-O-W,47.0,"Invalid WP multiplicities - A3B9C28D7_hR141_160_b_2b2c_a10b6c_a4b:Fe-Li-O-W, expected Li18Fe3W13O67 to be Li9Fe3(WO4)7" +mp-1177706,Li3Fe3WO8,-7.52323536,-1.9453372167,0.0668357685,0.0668357685,GGA+U,C2/m,A3B3C8D_mC30_12_bf_ce_2ij_a:Fe-Li-O-W,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_ae_cf_4i3j_b:Fe-Li-O-W, expected Li3Fe3WO20 to be Li3Fe3WO8" +mp-1222567,LiNbWO7,-8.074025791,-2.1145078795,0.2123585652,0.2123585652,GGA+U,Imma,ABC7D_oI40_74_a_c_3ej_b:Li-Nb-O-W,20.0,"Invalid WP multiplicities - ABC7D_oI40_74_a_c_5e4j_b:Li-Nb-O-W, expected LiNbWO21 to be LiNbWO7" +mp-769470,Li11Fe(WO4)7,-7.7561725045,-2.2522923285,0.0458943017,0.0458943017,GGA+U,Cm,AB11C28D7_mC94_8_a_a5b_6a11b_3a2b:Fe-Li-O-W,47.0,"Invalid WP multiplicities - AB11C28D7_mC94_8_a_a7b_6a11b_3a2b:Fe-Li-O-W, expected Li15Fe(WO4)7 to be Li11Fe(WO4)7" +mp-755034,Li3Fe4WO8,-7.5781891556,-1.8195333206,0.0743470378,0.0743470378,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Fe-Li-O-W,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_bf_4i2j_c:Fe-Li-O-W, expected Li3Fe4WO16 to be Li3Fe4WO8" +mp-1651775,La2VFeO6,-8.7561725835,-3.0455652078,0.021312296,0.021312296,GGA+U,P-1,AB2C6D_aP20_2_ah_2i_6i_be:Fe-La-O-V,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_ah_4i_12i_be:Fe-La-O-V, expected La4VFeO12 to be La2VFeO6" +mp-1223233,La2VFeO6,-8.77517566,-3.0645682843,0.0023092195,0.0023092195,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-La-O-V,20.0,AB2C6D_mP20_14_a_e_3e_b:Fe-La-O-V +mp-1043966,LaVFeO6,-8.1730708978,-2.3763968253,0.2482777128,0.2482777128,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-V,18.0,"Invalid WP multiplicities - ABC6D_mP18_7_a_a_10a_a:Fe-La-O-V, expected LaVFeO10 to be LaVFeO6" +mp-1042908,Ca3V6(FeO6)4,-8.1763300889,-2.4163071168,0.0160453786,0.0160453786,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Ca-Fe-O-V,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_13i_5i:Ca-Fe-O-V, expected Ca3V10(Fe2O13)2 to be Ca3V6(FeO6)4" +mp-1385417,CaLa2VO6,-8.440310416,-3.3761451732,0.0415507106,0.0415507106,GGA+U,R-3,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-V,10.0,AB2C6D_hR30_148_a_c_f_b:Ca-La-O-V +mp-1227714,Ca6V3Fe7O24,-7.8783774429,-2.4459775671,0.023831434,0.023831434,GGA+U,I-43d,A6B7C24D3_cI160_220_d_ac_2e_b:Ca-Fe-O-V,80.0,"Invalid WP multiplicities - A6B7C24D3_cI160_220_d_ac_4e_b:Ca-Fe-O-V, expected Ca6V3Fe7O48 to be Ca6V3Fe7O24" +mp-684837,CaLaVFeO6,-8.2884037983,-2.8708371451,0.030887305,0.030887305,GGA+U,P1,ABCD6E_aP30_1_3a_3a_3a_18a_3a:Ca-Fe-La-O-V,30.0,ABCD6E_aP30_1_3a_3a_3a_18a_3a:Ca-Fe-La-O-V +mp-1043924,CaLaVFeO6,-8.307336369,-2.8897697158,0.0119547344,0.0119547344,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-V,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-V +mp-1227087,CaLaVFeO6,-8.183445217,-2.7658785638000003,0.1358458864,0.1358458864,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-La-O-V,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-La-O-V +mp-1210577,Na3Mn2V3O12,-7.7015018357,-2.2563223753,0.0326110433,0.0326110433,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Mn-Na-O-V,80.0,A2B3C12D3_cI160_230_a_c_h_d:Mn-Na-O-V +mp-1282783,NaMn3V4O12,-8.536538686,-2.3113156868,0.0343837092,0.0343837092,GGA+U,P-1,A3BC12D4_aP20_2_aef_g_6i_bcdh:Mn-Na-O-V,40.0,"Invalid WP multiplicities - A3BC12D4_aP20_2_2afg_e_9i_bcdh:Mn-Na-O-V, expected NaMn4V4O18 to be NaMn3V4O12" +mp-1302702,NaMn3V4O12,-8.5366216335,-2.3113986343,0.0343007617,0.0343007617,GGA+U,C2/m,A3BC12D4_mC40_12_abc_d_2i2j_ef:Mn-Na-O-V,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_12_abc_d_3i2j_ef:Mn-Na-O-V, expected NaMn3V4O14 to be NaMn3V4O12" +mp-1302604,NaMn3V4O12,-8.517214059,-2.2919910598,0.0537083362,0.0537083362,GGA+U,R-3,A3BC12D4_hR60_148_d_b_2f_ae:Mn-Na-O-V,20.0,"Invalid WP multiplicities - A3BC12D4_hR60_148_d_b_7f_ae:Mn-Na-O-V, expected NaMn3V4O42 to be NaMn3V4O12" +mp-1106031,NaMn3V4O12,-8.5189722505,-2.2937492513,0.0519501447,0.0519501447,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Mn-Na-O-V,20.0,A3BC12D4_cI40_204_b_a_g_c:Mn-Na-O-V +mp-1193468,NaMnVO4,-7.9344643168,-2.3122926739,0.0,-0.025411373,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Mn-Na-O-V,28.0,ABC4D_oP28_62_a_c_2cd_c:Mn-Na-O-V +mp-1203333,Na6Mn2V4O15,-7.3587726089,-2.2922860425,0.0276135137,0.0276135137,GGA+U,P2/c,A2B6C15D4_mP54_13_g_ef2g_e7g_2g:Mn-Na-O-V,54.0,A2B6C15D4_mP54_13_g_ef2g_e7g_2g:Mn-Na-O-V +mp-18975,Na2SrV4O12,-7.8035659018,-2.5388062779,0.0,-0.0149217415,GGA+U,P4/nbm,A2B12CD4_tP38_125_e_mn_a_l:Na-O-Sr-V,38.0,"Invalid WP multiplicities - A2B12CD4_tP38_125_e_m2n_a_l:Na-O-Sr-V, expected Na2SrV4O20 to be Na2SrV4O12" +mp-557927,Na2SrV3O9,-7.660386036,-2.5866219926,0.0,-0.0050980994,GGA+U,P2_1/c,A2B9CD3_mP60_14_2e_9e_e_3e:Na-O-Sr-V,60.0,"Invalid WP multiplicities - A2B9CD3_mP60_14_5e_32e_e_8e:Na-O-Sr-V, expected Na5SrV8O32 to be Na2SrV3O9" +mp-1194593,Na2SrMnV2O8,-7.6320709623,-2.5436508793,0.0,-0.0157570913,GGA+U,P2_1/c,AB2C8DE2_mP56_14_ab_2e_8e_e_2e:Mn-Na-O-Sr-V,56.0,AB2C8DE2_mP56_14_ab_2e_8e_e_2e:Mn-Na-O-Sr-V +mp-1194563,SrMn2V2O8,-8.5128375623,-2.5316955725,0.0,-0.00397078,GGA+U,I4_1cd,A2B8CD2_tI104_110_b_4b_a_b:Mn-O-Sr-V,52.0,A2B8CD2_tI104_110_b_4b_a_b:Mn-O-Sr-V +mp-777476,CrFe2(PO4)3,-8.0581843511,-2.3807809097,0.0419010556,0.0419010556,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Cr-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Cr-Fe-O-P, expected CrFe2(PO26)3 to be CrFe2(PO4)3" +mp-768375,CrFe5(PO4)6,-7.9784662225,-2.3339246217,0.0450822317,0.0450822317,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Cr-Fe-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Cr-Fe-O-P, expected CrFe5(PO10)6 to be CrFe5(PO4)6" +mp-775201,Cr3Fe(PO4)6,-7.8086771856,-2.2607504876,0.0702613592,0.0702613592,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Fe-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Cr-Fe-O-P, expected Cr3Fe(PO10)6 to be Cr3Fe(PO4)6" +mp-20144,NbCrP,-9.1039515667,-0.7147332278,0.0,-0.0549007083,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Nb-P,12.0,ABC_oP12_62_c_c_c:Cr-Nb-P +mp-780614,NbCr3(PO4)6,-8.0583468232,-2.4624411891,0.0657269243,0.0657269243,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Nb-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Cr-Nb-O-P, expected NbCr3(PO10)6 to be NbCr3(PO4)6" +mp-859878,Nb3Fe(PO4)6,-8.3702447288,-2.7827658924,0.0,-0.024254501,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Fe-Nb-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Fe-Nb-O-P, expected Nb3Fe(PO10)6 to be Nb3Fe(PO4)6" +mp-21495,CrFeP,-8.4034332625,-0.5579762003000001,0.0,-0.1212783224,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Fe-P,12.0,ABC_oP12_62_c_c_c:Cr-Fe-P +mp-771326,NbFe5(PO4)6,-8.1070451717,-2.4500519717,0.0169161127,0.0169161127,GGA+U,R3,A5BC24D6_hR108_146_5a_a_8b_2b:Fe-Nb-O-P,36.0,"Invalid WP multiplicities - A5BC24D6_hR108_146_5a_a_20b_2b:Fe-Nb-O-P, expected NbFe5(PO10)6 to be NbFe5(PO4)6" +mp-793763,NbCr2Fe3(PO4)6,-8.1707065997,-2.4479897186,0.1066377521,0.1066377521,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cr-Fe-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_3b:Cr-Fe-Nb-O-P, expected NbCr2Fe3(P3O22)3 to be NbCr2Fe3(PO4)6" +mp-1103173,Nb4FeP,-9.423518285,-0.3754276389,0.0853741739,0.0853741739,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Fe-Nb-P,12.0,AB4C_tP12_124_a_m_c:Fe-Nb-P +mp-772031,NbFe(PO4)2,-8.2986594708,-2.5510393914,0.1053936234,0.1053936234,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Fe-Nb-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Fe-Nb-O-P, expected NbFe(PO5)3 to be NbFe(PO4)2" +mp-774426,Nb3Cr(PO4)6,-8.4522659006,-2.8299921741,0.0,-0.0176335915,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Cr-Nb-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Cr-Nb-O-P, expected Nb3Cr(PO10)6 to be Nb3Cr(PO4)6" +mp-775868,NbFe3(PO4)6,-7.8120404771,-2.3205195129,0.0635199067,0.0635199067,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Fe-Nb-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Fe-Nb-O-P, expected NbFe3(PO10)6 to be NbFe3(PO4)6" +mp-1226245,CrFeP2,-7.7906068975,-0.5531884742000001,0.0153534444,0.0153534444,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Cr-Fe-P,8.0,ABC2_oP8_26_a_b_ab:Cr-Fe-P +mp-861612,CrFe(PO4)2,-8.1497831417,-2.4395178597,0.0268392175,0.0268392175,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cr-Fe-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Cr-Fe-O-P, expected CrFe(PO5)3 to be CrFe(PO4)2" +mp-772167,CrFe(PO4)2,-8.1336722225,-2.4234069406,0.0429501367,0.0429501367,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Cr-Fe-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Cr-Fe-O-P, expected CrFe(PO10)2 to be CrFe(PO4)2" +mp-1102980,NbFeP,-8.8714192067,-0.8765429544000001,0.0,-0.216710435,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Nb-P,12.0,ABC_oP12_62_c_c_c:Fe-Nb-P +mp-1101729,NbFe7(PO4)12,-7.6766804332,-2.2091489372,0.0752088643,0.0752088643,GGA+U,P1,A7BC48D12_aP68_1_7a_a_48a_12a:Fe-Nb-O-P,68.0,A7BC48D12_aP68_1_7a_a_48a_12a:Fe-Nb-O-P +mp-1221892,Na2CaV12O36,-7.7748414986,-2.0544823435,0.1534126295,0.1534126295,GGA+U,Cm,AB2C36D12_mC102_8_a_b_18a9b_6a3b:Ca-Na-O-V,51.0,AB2C36D12_mC102_8_a_b_18a9b_6a3b:Ca-Na-O-V +mp-558066,NaCaVO4,-7.2976386671,-2.6978120831,0.074791,0.0409327417,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Ca-Na-O-V,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_a_3f4g_c:Ca-Na-O-V, expected NaCaVO14 to be NaCaVO4" +mp-19302,NaCaVO4,-7.3724296671,-2.7726030831,0.0,-0.0338582583,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Ca-Na-O-V,14.0,ABC4D_oC28_63_a_c_fg_c:Ca-Na-O-V +mp-1222059,Na2CaV12O32,-8.0934488185,-2.3072453703,0.0885555579,0.0885555579,GGA+U,Cm,AB2C32D12_mC94_8_a_b_16a8b_6a3b:Ca-Na-O-V,47.0,AB2C32D12_mC94_8_a_b_16a8b_6a3b:Ca-Na-O-V +mp-1272308,CaMn3V4O12,-8.7076086318,-2.4482319032,0.0342448434,0.0342448434,GGA+U,P-1,AB3C12D4_aP40_2_i_3i_12i_abcdefgh:Ca-Mn-O-V,40.0,AB3C12D4_aP40_1_2a_6a_24a_8a:Ca-Mn-O-V +mp-1274050,CaMn3V4O12,-8.699854751,-2.4404780224,0.0419987241,0.0419987241,GGA+U,C2/m,AB3C12D4_mC40_12_a_bcd_2i2j_ef:Ca-Mn-O-V,20.0,"Invalid WP multiplicities - AB3C12D4_mC40_12_a_bcd_3i2j_ef:Ca-Mn-O-V, expected CaMn3V4O14 to be CaMn3V4O12" +mp-1274811,CaMn3V4O12,-8.7074110785,-2.4480343499,0.0344423966,0.0344423966,GGA+U,R-3,AB3C12D4_hR60_148_a_e_2f_bd:Ca-Mn-O-V,40.0,"Invalid WP multiplicities - AB3C12D4_hR60_148_a_e_9f_b2d:Ca-Mn-O-V, expected CaMn3V7O54 to be CaMn3V4O12" +mp-1106307,CaMn3V4O12,-8.684206818,-2.4248300894,0.0576466571,0.0576466571,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:Ca-Mn-O-V,20.0,AB3C12D4_cI40_204_a_b_g_c:Ca-Mn-O-V +mp-694988,Na3Ca10Mn7V12O48,-8.1429379551,-2.7103677963,0.0,-0.0277234272,GGA+U,P1,A10B7C3D48E12_aP80_1_10a_7a_3a_48a_12a:Ca-Mn-Na-O-V,80.0,A10B7C3D48E12_aP80_1_10a_7a_3a_48a_12a:Ca-Mn-Na-O-V +mp-17968,Na2CaV4O12,-7.8133331642,-2.5319363599,0.0001513521,0.0001513521,GGA+U,P4/nbm,AB2C12D4_tP38_125_a_e_mn_l:Ca-Na-O-V,38.0,"Invalid WP multiplicities - AB2C12D4_tP38_125_a_e_m2n_l:Ca-Na-O-V, expected Na2CaV4O20 to be Na2CaV4O12" +mp-1178359,DyZr4O9,-9.63424788,-3.6829773256,0.1016594817,0.1016594817,GGA,Imm2,AB9C4_oI28_44_a_b4c_2c:Dy-O-Zr,14.0,"Invalid WP multiplicities - AB9C4_oI28_44_a_b8c_4c:Dy-O-Zr, expected DyZr8O17 to be DyZr4O9" +mp-1213567,DyZr6(PO4)9,-8.6775732127,-3.2411596207,0.007989581,0.007989581,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Dy-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Dy-O-P-Zr +mp-772760,Dy2Zr2O7,-9.404884445,-3.8652666342,0.038280535,0.038280535,GGA,P2_1,A2B7C2_mP44_4_4a_14a_4a:Dy-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_mP44_4_7a_27a_7a:Dy-O-Zr, expected Dy7Zr7O27 to be Dy2Zr2O7" +mp-676319,Dy2Zr2O7,-9.301161845,-3.7615440342,0.142003135,0.142003135,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Dy-O-Zr,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_2a2f_6e4j_cf:Dy-O-Zr, expected Dy2ZrO7 to be Dy2Zr2O7" +mp-771828,Dy2Zr2O7,-9.3653887955,-3.8257709847,0.0777761845,0.0777761845,GGA,P4_12_12,A2B7C2_tP44_92_b_a3b_b:Dy-O-Zr,44.0,"Invalid WP multiplicities - A2B7C2_tP44_92_b_2a23b_b:Dy-O-Zr, expected DyZrO24 to be Dy2Zr2O7" +mp-754302,Dy2Zr2O7,-9.4071948745,-3.8675770637,0.0359701055,0.0359701055,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Dy-O-Zr,22.0,A2B7C2_cF88_227_c_af_d:Dy-O-Zr +mp-675835,Dy2Zr8O19,-9.6668630759,-3.7502332747,0.0980221038,0.0980221038,GGA,P-4m2,A2B19C8_tP29_115_g_abc4e4f_4g:Dy-O-Zr,29.0,"Invalid WP multiplicities - A2B19C8_tP29_115_g_abc8e8f_7g:Dy-O-Zr, expected Dy2Zr14O35 to be Dy2Zr8O19" +mp-686636,DyZr9Si9PO40,-9.1036306658,-3.5428839036,0.0113946789,0.0113946789,GGA,C222,AB40CD9E9_oC240_21_k_20l_k_ac2i2j4k_bd2i2j4k:Dy-O-P-Si-Zr,120.0,"Invalid WP multiplicities - AB40CD9E9_oC240_21_k_76l_k_ac4i4j8k_bd4i4j8k:Dy-O-P-Si-Zr, expected DyZr17Si17PO152 to be DyZr9Si9PO40" +mp-1216201,Y2CrSbO7,-8.6104817377,-3.0339533818,0.0,-0.0163050112,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Cr-O-Sb-Y,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Cr-O-Sb-Y, expected Y2CrSbO13 to be Y2CrSbO7" +mp-1207727,Y5(SiSb)2,-6.7083268617,-0.9926608498,0.0,-0.0322363381,GGA,Cmce,A2B2C5_oC36_64_d_f_ag:Sb-Si-Y,18.0,A2B2C5_oC36_64_d_f_ag:Sb-Si-Y +mp-1157313,Y2Cr3(SiO4)3,-8.7838072289,-2.9073920658,0.1984205412,0.1984205412,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Cr-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Cr-O-Si-Y +mp-1044807,Y4Cr13Si2(SbO14)2,-8.7231151302,-2.4175758645,0.2723527602,0.2723527602,GGA+U,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Cr-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Cr-O-Sb-Si-Y, expected Y4Cr37Si2(SbO46)2 to be Y4Cr13Si2(SbO14)2" +mp-1245449,Mn2SbN,-7.7032646188,-0.0058829315,0.2969644044,0.2969644044,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:Mn-N-Sb,8.0,A2BC_tP8_129_ac_b_c:Mn-N-Sb +mp-1206805,Mn3SbN,-8.145552432,-0.1552440238,0.1375756355,0.1375756355,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Sb,5.0,A3BC_cP5_221_c_b_a:Mn-N-Sb +mp-703486,Mn(H2N)2,-5.5508291191,0.0785864983,0.5038552343,0.5038552343,GGA,I4_1/acd,A4BC2_tI224_142_4g_g_deg:H-Mn-N,112.0,A4BC2_tI224_142_4g_g_deg:H-Mn-N +mp-1205246,MnSb2H18(Se2N3)2,-5.0646126298,-0.4681061123,0.0,-0.0099569786,GGA,Pna2_1,A18BC6D2E4_oP124_33_18a_a_6a_2a_4a:H-Mn-N-Sb-Se,124.0,A18BC6D2E4_oP124_33_18a_a_6a_2a_4a:H-Mn-N-Sb-Se +mp-1195097,Mn(H15N8)2,-5.568792613,-0.3703305823,0.0097462012,0.0097462012,GGA,P2_1/c,A30BC16_mP94_14_15e_a_8e:H-Mn-N,94.0,A30BC16_mP94_14_15e_a_8e:H-Mn-N +mp-1245415,Mn2SbN3,-7.8913218862,0.0190975469,0.3378812046,0.3378812046,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Sb,24.0,A2B3C_mC48_15_2f_2e2f_f:Mn-N-Sb +mp-1245454,Mn2SbN3,-7.9584902525,-0.0480708193,0.2707128383,0.2707128383,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mn-N-Sb,12.0,A2B3C_oC24_36_b_ab_a:Mn-N-Sb +mp-1517399,KNdZrNbO6,-8.577885668,-3.1571172363,0.1560236168,0.1560236168,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:K-Nb-Nd-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:K-Nb-Nd-O-Zr +mp-1522378,KNdZr4O12,-8.553951725,-3.030084312,0.2161214046,0.2161214046,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-Nd-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-Nd-O-Zr, expected KNdZr4O18 to be KNdZr4O12" +mp-558128,KNd2NbO6,-8.406685078,-3.363871966,0.0,-0.0441740013,GGA,C2/m,ABC2D6_mC40_12_i_i_2i_gi2j:K-Nb-Nd-O,20.0,"Invalid WP multiplicities - ABC2D6_mC40_12_i_i_3i_2gi6j:K-Nb-Nd-O, expected KNd3NbO15 to be KNd2NbO6" +mp-1522387,KNdZr2O6,-8.630477225,-3.3650692343,0.172054142,0.172054142,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:K-Nd-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:K-Nd-O-Zr +mp-1518765,KNdNb4O12,-8.9489573639,-3.0798445264,0.085983045,0.085983045,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:K-Nb-Nd-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:K-Nb-Nd-O, expected KNdNb4O18 to be KNdNb4O12" +mp-1518752,KNdNb2O6,-8.541668741,-2.9655398683,0.1168934904,0.1168934904,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:K-Nb-Nd-O,10.0,AB2CD6_cF40_225_a_c_b_d:K-Nb-Nd-O +mp-631345,KZr2Nb,-6.0705488125,1.0062274992,1.0062274992,1.0062274992,GGA,Fm-3m,ABC2_cF16_225_a_b_c:K-Nb-Zr,4.0,ABC2_cF16_225_a_b_c:K-Nb-Zr +mp-1211895,K2NdNb5O15,-8.8092413996,-3.0833369998,0.0196334694,0.0196334694,GGA,P4/mbm,A2B5CD15_tP46_127_g_cj_a_dhi2j:K-Nb-Nd-O,46.0,A2B5CD15_tP46_127_g_cj_a_dhi2j:K-Nb-Nd-O +mp-1516882,KZr4BiO12,-8.2051008267,-2.732769986,0.2511661044,0.2511661044,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Bi-K-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Bi-K-O-Zr, expected KZr4BiO18 to be KZr4BiO12" +mp-1521210,KHfZrBiO6,-8.193065359,-2.8794743586,0.1715026441,0.1715026441,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Hf-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Hf-K-O-Zr +mp-1516831,KZr2BiO6,-7.964809529,-2.7921673686,0.1970875839,0.1970875839,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Bi-K-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:Bi-K-O-Zr +mp-1197719,CuAs12P4S12Br,-4.8380507303,-0.4096419207,0.0,-0.0318162877,GGA,P31c,A12BCD4E12_hP120_159_8c_2b_ab_ab2c_8c:As-Br-Cu-P-S,120.0,A12BCD4E12_hP120_159_8c_2b_ab_ab2c_8c:As-Br-Cu-P-S +mp-1202203,Cu3P4(SBr)3,-4.4443578779,-0.5197990604,0.0061141482,0.0061141482,GGA,Pnma,A3B3C4D3_oP52_62_cd_cd_2cd_cd:Br-Cu-P-S,52.0,A3B3C4D3_oP52_62_cd_cd_2cd_cd:Br-Cu-P-S +mp-1196166,CuP4S3Br,-4.8689136458,-0.4561586872,0.0005161642,-0.0147153148,GGA,P-1,ABC4D3_aP36_2_2i_2i_8i_6i:Br-Cu-P-S,36.0,ABC4D3_aP36_2_2i_2i_8i_6i:Br-Cu-P-S +mp-1197804,CuP4S3Br,-4.86942981,-0.4566748514,0.0,-0.0152314789,GGA,Cmce,ABC4D3_oC72_64_f_d_2fg_fg:Br-Cu-P-S,36.0,ABC4D3_oC72_64_f_d_2fg_fg:Br-Cu-P-S +mp-554627,Cu6PS5Br,-4.4939088208,-0.4751534215,0.0014861295,0.0014861295,GGA,Cc,AB6CD5_mC52_9_a_6a_a_5a:Br-Cu-P-S,26.0,"Invalid WP multiplicities - AB6CD5_mC52_9_a_11a_a_7a:Br-Cu-P-S, expected Cu11PS7Br to be Cu6PS5Br" +mp-1198103,CuAs7PS7Br,-4.7003542512,-0.4277356977,0.0,-0.0005498151,GGA,P2_1/c,A7BCDE7_mP68_14_7e_e_e_e_7e:As-Br-Cu-P-S,68.0,A7BCDE7_mP68_14_7e_e_e_e_7e:As-Br-Cu-P-S +mp-540883,As2P2S7,-4.972086122,-0.5084505865,0.0,-0.0351360511,GGA,P2_1/c,A2B2C7_mP44_14_2e_2e_7e:As-P-S,44.0,A2B2C7_mP44_14_2e_2e_7e:As-P-S +mp-557195,KCa2Nb3O10,-8.4612734633,-3.1554984046,0.0049455681,0.0049455681,GGA,P2_1/m,A2BC3D10_mP64_11_4e_2e_ab2f_6e7f:Ca-K-Nb-O,64.0,"Invalid WP multiplicities - A2BC3D10_mP64_11_8e_3e_2a2d5f_12e26f:Ca-K-Nb-O, expected K3Ca8Nb14O64 to be KCa2Nb3O10" +mp-1223594,KCa2Nb3O10,-8.4546318034,-3.1488567447,0.011587228,0.011587228,GGA,Cmc2_1,A2BC3D10_oC64_36_2a_a_3a_10a:Ca-K-Nb-O,32.0,"Invalid WP multiplicities - A2BC3D10_oC64_36_2a_a_4a_13a:Ca-K-Nb-O, expected KCa2Nb4O13 to be KCa2Nb3O10" +mp-1520344,KCaZrNbO6,-8.333445587,-3.1889319106,0.0750799183,0.0750799183,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-Zr +mp-1519062,KPrNb2O6,-8.553767893,-2.9763631881,0.0880322662,0.0880322662,GGA,Fm-3m,AB2C6D_cF40_225_a_c_d_b:K-Nb-O-Pr,,AB2C6D_cF40_225_a_c_d_b:K-Nb-O-Pr +mp-1211647,K2PrNb5O15,-8.8113464637,-3.0848873542,0.0149326839,0.0149326839,GGA,P4/mbm,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Pr,46.0,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Pr +mp-1519012,KPrNb4O12,-8.9515651517,-3.0817435185,0.0800585022,0.0800585022,GGA,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:K-Nb-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:K-Nb-O-Pr, expected KPrNb4O18 to be KPrNb4O12" +mp-1020657,NaSr(PO3)3,-7.4284513071,-2.8732995451,0.0,-0.0019723339,GGA,P-1,AB9C3D_aP28_2_i_9i_3i_i:Na-O-P-Sr,28.0,AB9C3D_aP28_2_i_9i_3i_i:Na-O-P-Sr +mp-561049,NaCe(PO3)4,-7.7817716758,-2.8779333975,0.0031708882,0.0031708882,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ce-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_44e_13e:Ce-Na-O-P, expected NaCeP13O44 to be NaCe(PO3)4" +mp-1210115,NaSrPO4,-7.0545148689,-3.0242182834,0.0,-0.0060215501,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Na-O-P-Sr,28.0,AB4CD_oP28_62_c_2cd_c_c:Na-O-P-Sr +mp-540951,Na2Sr(PO3)4,-7.3048075626,-2.8128065836,0.0,-0.0004422143,GGA,P4/nbm,A2B12C4D_tP38_125_e_mn_l_a:Na-O-P-Sr,38.0,A2B12C4D_tP38_125_e_mn_l_a:Na-O-P-Sr +mp-556334,Na3Ce(PO4)2,-7.2194873267,-2.9122887739000003,0.0,-0.0090792509,GGA,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Ce-Na-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_oP112_29_4a_19a_64a_13a:Ce-Na-O-P, expected Na19Ce4P13O64 to be Na3Ce(PO4)2" +mp-21520,NaCeP2O7,-7.853813633,-3.0620826838,0.0,-0.003470848,GGA,Pnma,ABC7D2_oP44_62_c_c_3c2d_2c:Ce-Na-O-P,44.0,ABC7D2_oP44_62_c_c_3c2d_2c:Ce-Na-O-P +mp-1200716,NaSr3CeP3O13,-7.6214988893,-3.1990724333,0.0663600645,0.0663600645,GGA,P-3,ABC13D3E3_hP42_147_d_d_c4g_g_g:Ce-Na-O-P-Sr,42.0,ABC13D3E3_hP42_147_d_d_c4g_g_g:Ce-Na-O-P-Sr +mp-1180362,Na2Sr(P2O9)2,-5.9812218084,-1.3800957736,0.7576372299,0.7576372299,GGA,Imm2,A2B18C4D_oI50_44_c_3c2d2e_e_a:Na-O-P-Sr,25.0,A2B18C4D_oI50_44_c_3c2d2e_e_a:Na-O-P-Sr +mp-766178,Sr2Sn(HO)8,-5.7264918613,-1.8262878186,0.0462874989,0.0423253903,GGA,P2_1/c,A8B8CD2_mP38_14_4e_4e_a_e:H-O-Sn-Sr,38.0,"Invalid WP multiplicities - A8B8CD2_mP38_14_13e_15e_a_e:H-O-Sn-Sr, expected Sr2Sn(H13O15)2 to be Sr2Sn(HO)8" +mp-1198515,Sr2Sn(HO)8,-5.7727793603,-1.8725753175,0.0,-0.0039621087,GGA,P2_1/c,A8B8CD2_mP38_14_4e_4e_a_e:H-O-Sn-Sr,38.0,A8B8CD2_mP38_14_4e_4e_a_e:H-O-Sn-Sr +mp-1208831,Sr2HBr2,-2.727345858,-0.7517919357,1.0095496318,1.0095496318,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-H-Sr,5.0,A2BC2_tP5_123_g_a_g:Br-H-Sr +mp-24479,SrH2Br2O7,-5.0349407692,-1.1842888373,0.0129159448,0.0129159448,GGA,C2/c,A2B2C7D_mC48_15_f_f_e3f_e:Br-H-O-Sr,24.0,A2B2C7D_mC48_15_f_f_e3f_e:Br-H-O-Sr +mp-1080045,SrHBrO,-5.2393130975,-2.3438289626,0.0,-0.0605017837,GGA,C2/m,ABCD_mC16_12_i_i_i_i:Br-H-O-Sr,8.0,ABCD_mC16_12_i_i_i_i:Br-H-O-Sr +mp-23828,Sr7(H6Br)2,-3.5935977014,-0.9438251598,0.0,-0.0047928282,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Br-H-Sr,21.0,"Invalid WP multiplicities - A2B12C7_hP21_174_ad_2j2k_ej2k:Br-H-Sr, expected Sr5H6Br to be Sr7(H6Br)2" +mp-1201479,Sn4H26(Br4O5)3,-4.7405812984,-1.2829350665,0.0169501963,0.0169501963,GGA,P-1,A12B26C15D4_aP114_2_12i_26i_15i_4i:Br-H-O-Sn,114.0,A12B26C15D4_aP114_2_12i_26i_15i_4i:Br-H-O-Sn +mp-1219613,Sn4H26(Br4O5)3,-4.739825662,-1.2821794301,0.0177058327,0.0177058327,GGA,Pc,A12B26C15D4_mP114_7_12a_26a_15a_4a:Br-H-O-Sn,114.0,"Invalid WP multiplicities - A12B26C15D4_mP114_7_18a_38a_22a_6a:Br-H-O-Sn, expected Sn3H19Br9O11 to be Sn4H26(Br4O5)3" +mp-24423,SrHBr,-3.8667864667,-1.6550371906,0.0,-0.0373624401,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-H-Sr,6.0,ABC_tP6_129_c_a_c:Br-H-Sr +mp-1200406,SnH10Br4O5,-4.6792854745,-1.2351660154,0.0225138762,0.0225138762,GGA,C2/c,A4B10C5D_mC80_15_2f_5f_e2f_e:Br-H-O-Sn,40.0,A4B10C5D_mC80_15_2f_5f_e2f_e:Br-H-O-Sn +mp-1202840,SrSn2H10Br6O5,-4.6324122356,-1.3954326044,0.0239560109,0.0239560109,GGA,C2/c,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Br-H-O-Sn-Sr,48.0,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Br-H-O-Sn-Sr +mp-1194672,SrSn(HO)6,-5.7611271368,-1.7800161478,0.0,-0.0087216564,GGA,P2_1/c,A6B6CD_mP56_14_6e_6e_ad_e:H-O-Sn-Sr,56.0,A6B6CD_mP56_14_6e_6e_ad_e:H-O-Sn-Sr +mp-1209050,SrSn2Br6O5,-3.9040830764,-0.7783508836,0.7466149777000001,0.7466149777000001,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_e:Br-O-Sn-Sr,28.0,A6B5C2D_mC56_15_3f_e2f_f_e:Br-O-Sn-Sr +mp-643356,SrH2Br2O,-4.6716313717,-1.9170162192,0.0045428796,0.0045428796,GGA,Pnma,A2B2CD_oP24_62_2c_2c_c_c:Br-H-O-Sr,24.0,A2B2CD_oP24_62_2c_2c_c_c:Br-H-O-Sr +mp-23875,CuH4(ClO)2,-4.5929637106,-1.1195679781,0.0407379778,0.0407379778,GGA,Pmna,A2BC4D2_oP18_53_h_a_i_e:Cl-Cu-H-O,18.0,A2BC4D2_oP18_53_h_a_i_e:Cl-Cu-H-O +mp-1205239,Rb11Cu18(Cl15O)2,-3.7574128762,-1.2996903831,0.0343147154,0.0343147154,GGA,C2/m,A30B18C2D11_mC122_12_g6i4j_ab4i2j_h_ci2j:Cl-Cu-O-Rb,61.0,A30B18C2D11_mC122_12_g6i4j_ab4i2j_h_ci2j:Cl-Cu-O-Rb +mp-1213134,Cu(HCl)2,-2.920641767,-0.004295351,0.6482767770000001,0.6482767770000001,GGA,Pmna,A2BC2_oP10_53_h_a_e:Cl-Cu-H,10.0,A2BC2_oP10_53_h_a_e:Cl-Cu-H +mp-24559,Rb2CuH4(Cl2O)2,-4.3161607569000005,-1.4762605217,0.0319680237,0.0319680237,GGA,P4_2/mnm,A4BC4D2E2_tP26_136_fg_a_j_e_d:Cl-Cu-H-O-Rb,26.0,"Invalid WP multiplicities - A4BC4D2E2_tP26_136_3f3g_a_j_e_d:Cl-Cu-H-O-Rb, expected Rb2CuH4(Cl6O)2 to be Rb2CuH4(Cl2O)2" +mp-696956,CuHClO,-4.2459642306,-0.6741747091,0.3862570059,0.3862570059,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cl-Cu-H-O,16.0,ABCD_mP16_14_e_e_e_e:Cl-Cu-H-O +mp-643743,CuHClO,-4.5706923225,-0.9989028009,0.0615289141,0.0615289141,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cl-Cu-H-O,16.0,ABCD_mP16_14_e_e_e_e:Cl-Cu-H-O +mp-1209593,Rb2Cu(Cl2O)2,-3.3968315028,-0.8026316275000001,0.6368682331000001,0.6368682331000001,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-O-Rb,18.0,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-O-Rb +mp-705846,CuH16(ClO8)2,-5.020300373,-0.9852456276,0.0474561746,0.0474561746,GGA,P2_1/c,A2BC16D16_mP70_14_e_a_8e_8e:Cl-Cu-H-O,70.0,A2BC16D16_mP70_14_e_a_8e_8e:Cl-Cu-H-O +mp-1226698,Cu5H8(ClO5)2,-4.9919775576,-0.9599054719,0.0990545909,0.0990545909,GGA,P-1,A2B5C8D10_aP25_2_i_acdi_4i_5i:Cl-Cu-H-O,25.0,"Invalid WP multiplicities - A2B5C8D10_aP25_2_i_acdi_6i_7i:Cl-Cu-H-O, expected Cu5H12(ClO7)2 to be Cu5H8(ClO5)2" +mp-1201073,Cu2H3ClO3,-4.967544249,-1.0714115525,0.0368941253,0.0368941253,GGA,P-1,AB2C3D3_aP72_2_4i_bcdh6i_12i_12i:Cl-Cu-H-O,72.0,AB2C3D3_aP72_2_4i_bcdh6i_12i_12i:Cl-Cu-H-O +mp-559094,Cu2H3ClO3,-4.9633647967000005,-1.0672321001,0.0410735776,0.0410735776,GGA,P2_1/m,AB2C3D3_mP18_11_e_ae_ef_ef:Cl-Cu-H-O,18.0,"Invalid WP multiplicities - AB2C3D3_mP18_11_e_a2e_e2f_e2f:Cl-Cu-H-O, expected Cu3H5ClO5 to be Cu2H3ClO3" +mp-1181656,Cu2H3ClO3,-4.9618740822,-1.0657413857,0.0425642921,0.0425642921,GGA,C2/m,AB2C3D3_mC36_12_i_ace_ij_ij:Cl-Cu-H-O,18.0,AB2C3D3_mC36_12_i_ade_ij_ij:Cl-Cu-H-O +mp-1181662,Cu2H3ClO3,-4.9654784319,-1.0693457354,0.0389599424,0.0389599424,GGA,P2_1/c,AB2C3D3_mP36_14_e_abe_3e_3e:Cl-Cu-H-O,36.0,AB2C3D3_mP36_14_e_ade_3e_3e:Cl-Cu-H-O +mp-510547,Cu2H3ClO3,-4.9593985906,-1.063265894,0.0450397837,0.0450397837,GGA,Pnma,AB2C3D3_oP36_62_c_ac_cd_cd:Cl-Cu-H-O,36.0,AB2C3D3_oP36_62_c_ac_cd_cd:Cl-Cu-H-O +mp-642737,Cu2H3ClO3,-4.9529944644,-1.0568617679,0.0514439099,0.0514439099,GGA,R-3m,AB2C3D3_hR54_166_c_ad_h_h:Cl-Cu-H-O,18.0,AB2C3D3_hR54_166_c_ad_h_h:Cl-Cu-H-O +mp-1196031,Rb3Cu3Cl8O,-3.7664078792,-1.4347942646,0.0324359,0.0324359,GGA,P2_1/c,A8B3CD3_mP60_14_8e_3e_e_3e:Cl-Cu-O-Rb,60.0,A8B3CD3_mP60_14_8e_3e_e_3e:Cl-Cu-O-Rb +mp-1213590,CuH10(ClO6)3,-4.8427461481,-0.6986063387,0.1208309808,0.1208309808,GGA,P3_121,A3BC10D18_hP96_152_ac_a_5c_ab8c:Cl-Cu-H-O,96.0,A3BC10D18_hP96_152_ac_a_5c_ab8c:Cl-Cu-H-O +mp-707987,CuH8(ClO5)2,-4.9512046111,-0.9319200652,0.0231548551,0.0231548551,GGA,Pbca,A2BC8D10_oP84_61_c_a_4c_5c:Cl-Cu-H-O,84.0,A2BC8D10_oP84_61_c_a_4c_5c:Cl-Cu-H-O +mp-1105157,RbNdMnWO6,-8.379916703,-2.6250207735,0.015628748,0.015628748,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:Mn-Nd-O-Rb-W,20.0,ABC6DE_mP20_4_a_a_6a_a_a:Mn-Nd-O-Rb-W +mp-558850,RbNd(WO4)2,-8.5875543871,-2.6510167492,0.0,-0.0220474497,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Nd-O-Rb-W,24.0,"Invalid WP multiplicities - AB8CD2_mC48_15_e_12f_e_f:Nd-O-Rb-W, expected RbNd(WO12)2 to be RbNd(WO4)2" +mp-1522904,KEuZr2O6,-9.06275834,-3.2484649126,0.1247549915,0.1247549915,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Eu-K-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:Eu-K-O-Zr +mp-1522855,KEuZr4O12,-8.7151006061,-2.8862968393,0.2661442795,0.2661442795,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-K-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-K-O-Zr, expected KEuZr4O18 to be KEuZr4O12" +mp-1516553,KEuZrBiO6,-7.9555294955,-2.611957218,0.0779571856,0.0779571856,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Bi-Eu-K-O-Zr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_2c2d_6m_f:Bi-Eu-K-O-Zr, expected K2EuZrBiO12 to be KEuZrBiO6" +mp-1516645,KEuZrBiO6,-7.91393949,-2.5703672125,0.1195471911,0.1195471911,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-Zr +mp-1218914,Sr10Mg5Mo2(WO10)3,-7.6168753856,-2.939621645,0.0004159699,0.0004159699,GGA+U,P-1,A5B2C30D10E3_aP50_2_a2i_i_15i_5i_ei:Mg-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B2C30D10E3_aP50_2_a4i_i_30i_10i_e2i:Mg-Mo-O-Sr-W, expected Sr20Mg9Mo2(WO12)5 to be Sr10Mg5Mo2(WO10)3" +mp-1218905,Sr10Mg5Mo4WO30,-7.4832737,-2.8905191642,0.0,-0.0003311826,GGA+U,P-1,A5B4C30D10E_aP50_2_b2i_2i_15i_5i_e:Mg-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B4C30D10E_aP50_2_b3i_2i_30i_10i_e:Mg-Mo-O-Sr-W, expected Sr20Mg7Mo4WO60 to be Sr10Mg5Mo4WO30" +mp-1218906,Sr10Mg5Mo3(WO15)2,-7.5502974688,-2.9152933306,0.0,-2.24116e-05,GGA+U,P-1,A5B3C30D10E2_aP50_2_a2i_ei_15i_5i_i:Mg-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B3C30D10E2_aP50_2_a3i_e2i_27i_9i_i:Mg-Mo-O-Sr-W, expected Sr18Mg7Mo5(WO27)2 to be Sr10Mg5Mo3(WO15)2" +mp-1026480,Mg14MoW,-2.68648516,0.201496155,0.2144800546,0.2144800546,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mo-W,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mo-W, expected Mg18MoW to be Mg14MoW" +mp-1026469,Mg14MoW,-2.6285703644,0.2594109506,0.2723948502,0.2723948502,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mo-W,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mo-W, expected Mg26MoW to be Mg14MoW" +mp-2224454,MgMo2(WO6)2,-8.5437721806,-2.1574130474,0.0822477959,0.0822477959,GGA+U,P1,AB2C12D2_aP17_1_a_2a_12a_2a:Mg-Mo-O-W,17.0,AB2C12D2_aP17_1_a_2a_12a_2a:Mg-Mo-O-W +mp-2217505,MgMoWO6,-8.4045874156,-2.2841215647,0.1021536733,0.1021536733,GGA+U,R3,ABC6D_hR27_146_a_a_2b_a:Mg-Mo-O-W,9.0,"Invalid WP multiplicities - ABC6D_hR27_146_a_a_3b_a:Mg-Mo-O-W, expected MgMoWO9 to be MgMoWO6" +mp-1016628,Mg6MoW,-3.7827228488,0.3929597312,0.404913068,0.404913068,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mo-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mo-W, expected Mg12MoW to be Mg6MoW" +mp-1016654,Mg6MoW,-3.8915588812,0.2841236988,0.2960770355,0.2960770355,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mo-W,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mo-W, expected Mg12MoW to be Mg6MoW" +mp-2218257,MgMo(WO4)2,-8.699526795,-2.2048851025,0.0942000063,0.0942000063,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Mg-Mo-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Mg-Mo-O-W +mp-1047170,Mg2MoWO6,-8.087030955,-2.4185836843,0.0365115823,0.0365115823,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Mg-Mo-O-W,10.0,"Invalid WP multiplicities - A2BC6D_hR30_146_2a_a_3b_a:Mg-Mo-O-W, expected Mg2MoWO9 to be Mg2MoWO6" +mp-1367763,Mg2MoWO6,-8.0845273075,-2.4160800367,0.0390152298,0.0390152298,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Mg-Mo-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Mg-Mo-O-W +mp-1218935,Sr10Mg5Mo(W2O15)2,-7.6837448428,-2.9642414998,0.0005403995,0.0005403995,GGA+U,P-1,A5BC30D10E4_aP50_2_b2i_c_15i_5i_2i:Mg-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5BC30D10E4_aP50_2_b4i_c_30i_10i_3i:Mg-Mo-O-Sr-W, expected Sr20Mg9Mo(WO10)6 to be Sr10Mg5Mo(W2O15)2" +mp-1518420,CaEuV4O12,-8.5513399061,-2.5536459897,0.1540330636,0.1540330636,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ca-Eu-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ca-Eu-O-V, expected CaEuV4O16 to be CaEuV4O12" +mp-1518592,Eu2HfVO6,-10.235957437,-3.3124343403,0.0566776073,0.0566776073,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Hf-O-V +mp-14398,CaSn(BO3)2,-7.743598995,-2.8381902406,0.0,-0.0151612992,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Ca-O-Sn,10.0,A2BC6D_hR30_148_c_a_f_b:B-Ca-O-Sn +mp-1227225,Ca5TiSn4(BO3)10,-7.8971083322,-2.9139811746,0.0048261691,0.0048261691,GGA,P-1,A10B5C30D4E_aP50_2_5i_a2i_15i_2i_e:B-Ca-O-Sn-Ti,50.0,"Invalid WP multiplicities - A10B5C30D4E_aP50_2_10i_a3i_30i_3i_e:B-Ca-O-Sn-Ti, expected Ca7TiSn6(BO3)20 to be Ca5TiSn4(BO3)10" +mp-1028101,KMg14Mn,-1.877685325,0.1645856087,0.1790619561,0.1790619561,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Mn, expected KMg18Mn to be KMg14Mn" +mp-1028113,KMg14Mn,-1.7914645337,0.2508063999,0.2652827473,0.2652827473,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Mn, expected KMg26Mn to be KMg14Mn" +mp-2241088,K6MgCr2O8,-5.88507998,-1.935534194,0.1179694778,0.1179694778,GGA+U,P222,A2B6CD8_oP17_16_cf_deil_a_2u:Cr-K-Mg-O,17.0,"Invalid WP multiplicities - A2B6CD8_oP17_16_cf_dei2l_a_5u:Cr-K-Mg-O, expected K8MgCr2O20 to be K6MgCr2O8" +mp-1026832,KMg14Cr,-1.8900239188,0.1829365261,0.1999667467,0.1999667467,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-K-Mg, expected KMg18Cr to be KMg14Cr" +mp-1026821,KMg14Cr,-1.8906140075,0.1823464373,0.1993766579,0.1993766579,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-K-Mg, expected KMg26Cr to be KMg14Cr" +mp-2240210,K3MgMnO4,-5.5299447444,-1.7654728524,0.2524246528,0.2524246528,GGA+U,Cm,A3BCD4_mC18_8_ab_a_a_2ab:K-Mg-Mn-O,9.0,"Invalid WP multiplicities - A3BCD4_mC18_8_ab_a_a_2a2b:K-Mg-Mn-O, expected K3MgMnO6 to be K3MgMnO4" +mp-1038146,KMg30MnO32,-6.3162861008,-2.9323039992,0.0528532697,0.0528532697,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:K-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:K-Mg-Mn-O, expected KMg110MnO72 to be KMg30MnO32" +mp-1038115,KMg30MnO32,-6.3248457937,-2.9408636922,0.0442935767,0.0442935767,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:K-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:K-Mg-Mn-O, expected KMg90MnO80 to be KMg30MnO32" +mp-757140,K3MnCrO8,-6.5268713923,-1.7791968313000002,0.0107932037,0.0107932037,GGA+U,R3m,AB3CD8_hR39_160_a_3a_a_2a2b:Cr-K-Mn-O,13.0,"Invalid WP multiplicities - AB3CD8_hR39_160_a_3a_a_2a6b:Cr-K-Mn-O, expected K3MnCrO20 to be K3MnCrO8" +mp-1040266,KMg30CrO32,-6.3447523903,-2.953097911,0.0428501531,0.0428501531,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-K-Mg-O, expected KMg90CrO80 to be KMg30CrO32" +mp-1040241,KMg30CrO32,-6.340498523,-2.9488440436000003,0.0471040205,0.0471040205,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-K-Mg-O, expected KMg110CrO72 to be KMg30CrO32" +mp-2216883,KMgMn16O32,-8.049645279,-1.8977060304,0.0347975942,0.0347975942,GGA+U,P1,ABC16D32_aP50_1_a_a_16a_32a:K-Mg-Mn-O,50.0,ABC16D32_aP50_1_a_a_16a_32a:K-Mg-Mn-O +mp-2216738,KMgMn16O32,-8.0093761202,-1.8574368716,0.075066753,0.075066753,GGA+U,P1,ABC16D32_aP50_1_a_a_16a_32a:K-Mg-Mn-O,50.0,ABC16D32_aP50_1_a_a_16a_32a:K-Mg-Mn-O +mp-2216102,KMgMn16O32,-8.031954376,-1.8800151274,0.0524884972,0.0524884972,GGA+U,Pm,ABC16D32_mP50_6_a_b_4a4b4c_8a8b8c:K-Mg-Mn-O,50.0,ABC16D32_mP50_6_a_b_4a4b4c_8a8b8c:K-Mg-Mn-O +mp-2216827,KMgMn16O32,-8.0137029674,-1.8617637188,0.0707399058,0.0707399058,GGA+U,Pm,ABC16D32_mP50_6_a_b_4a4b4c_8a8b8c:K-Mg-Mn-O,50.0,ABC16D32_mP50_6_a_b_4a4b4c_8a8b8c:K-Mg-Mn-O +mp-2216894,KMgMn16O32,-8.008662343,-1.8567230944,0.0757805302,0.0757805302,GGA+U,Pm,ABC16D32_mP50_6_a_a_4a4b4c_8a8b8c:K-Mg-Mn-O,50.0,ABC16D32_mP50_6_a_a_4a4b4c_8a8b8c:K-Mg-Mn-O +mp-2216809,KMgMn16O32,-8.0135385284,-1.8615992798,0.0709043448,0.0709043448,GGA+U,P2/m,ABC16D32_mP50_10_a_d_2m2n2o_4m4n4o:K-Mg-Mn-O,50.0,"Invalid WP multiplicities - ABC16D32_mP50_10_c_d_3m4n3o_8m7n7o:K-Mg-Mn-O, expected KMgMn26O58 to be KMgMn16O32" +mp-1023003,KMg6Mn,-2.1619301387,0.3223316786,0.3347399764,0.3347399764,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:K-Mg-Mn, expected KMg12Mn to be KMg6Mn" +mp-1023014,KMg6Mn,-2.1529351588,0.3313266586,0.3437349564,0.3437349564,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Mn, expected KMg12Mn to be KMg6Mn" +mp-1036233,KMg14MnO16,-6.3000781394,-2.8055983169000003,0.1106759215,0.1106759215,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:K-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:K-Mg-Mn-O, expected KMg18MnO20 to be KMg14MnO16" +mp-1036281,KMg14MnO16,-6.2816526659,-2.7871728435,0.129101395,0.129101395,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:K-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:K-Mg-Mn-O, expected KMg30MnO32 to be KMg14MnO16" +mp-1034004,KMg14CrO16,-6.3294467938,-2.8196222157,0.1182336131,0.1182336131,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-K-Mg-O, expected KMg18CrO20 to be KMg14CrO16" +mp-1035863,KMg14CrO16,-6.3227397153,-2.8129151373,0.1249406916,0.1249406916,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cr-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cr-K-Mg-O, expected KMg30CrO32 to be KMg14CrO16" +mp-2215896,K4MgMn4O8,-6.7052214094,-1.8661951332,0.1383394537,0.1383394537,GGA+U,P1,A4BC4D8_aP17_1_4a_a_4a_8a:K-Mg-Mn-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:K-Mg-Mn-O +mp-2221154,K4MgMn4O8,-6.7095865912,-1.8705603149,0.133974272,0.133974272,GGA+U,P1,A4BC4D8_aP17_1_4a_a_4a_8a:K-Mg-Mn-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:K-Mg-Mn-O +mp-2228958,K4MgMn4O8,-6.67892124,-1.8398949637,0.1646396231,0.1646396231,GGA+U,C2,A4BC4D8_mC34_5_2c_a_2c_4c:K-Mg-Mn-O,17.0,"Invalid WP multiplicities - A4BC4D8_mC34_5_4c_a_4c_8c:K-Mg-Mn-O, expected K8MgMn8O16 to be K4MgMn4O8" +mp-2229045,K4MgMn4O8,-6.6862086835,-1.8471824073,0.1573521796,0.1573521796,GGA+U,C2,A4BC4D8_mC34_5_2c_a_2c_4c:K-Mg-Mn-O,17.0,"Invalid WP multiplicities - A4BC4D8_mC34_5_3c_a_2c_4c:K-Mg-Mn-O, expected K6MgMn4O8 to be K4MgMn4O8" +mp-1233265,K4MgMn4O8,-6.6889274053,-1.849901129,0.1546334578,0.1546334578,GGA+U,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Mg-Mn-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Mg-Mn-O +mp-2215994,K2MgMn2O4,-6.4312381067,-1.7721421763,0.2791682106,0.2791682106,GGA+U,Pm,A2BC2D4_mP9_6_ab_a_ab_2a2b:K-Mg-Mn-O,9.0,A2BC2D4_mP9_6_ab_a_ab_2a2b:K-Mg-Mn-O +mp-1031885,KMg6MnO8,-6.238746855,-2.5232715907000003,0.2552365868,0.2552365868,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:K-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:K-Mg-Mn-O, expected KMg6MnO12 to be KMg6MnO8" +mp-1031920,KMg6MnO8,-6.2157278375,-2.5002525732,0.2782556043,0.2782556043,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:K-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:K-Mg-Mn-O, expected KMg6MnO12 to be KMg6MnO8" +mp-2225911,KMgMn2O4,-7.17292777,-2.0702447167,0.1641850499,0.1641850499,GGA+U,P-1,ABC2D4_aP8_2_b_d_ch_2i:K-Mg-Mn-O,8.0,"Invalid WP multiplicities - ABC2D4_aP8_2_b_d_ch_3i:K-Mg-Mn-O, expected KMgMn2O6 to be KMgMn2O4" +mp-1031245,KMg6CrO8,-6.267615685,-2.5214509096,0.3002204488,0.3002204488,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cr-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cr-K-Mg-O, expected KMg6CrO12 to be KMg6CrO8" +mp-1031323,KMg6CrO8,-6.2788568331,-2.5326920577000003,0.2889793006,0.2889793006,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-K-Mg-O, expected KMg6CrO12 to be KMg6CrO8" +mp-1233893,K8MgMn4O16,-6.1498107197,-1.7953778861,0.0563017499,0.0563017499,GGA+U,P1,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O +mp-1234017,K8MgMn4O16,-6.1230032728,-1.7685704392,0.0831091968,0.0831091968,GGA+U,P1,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O +mp-1234088,K8MgMn4O16,-6.1404138366,-1.785981003,0.065698633,0.065698633,GGA+U,P1,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O +mp-1234506,K8MgMn4O16,-6.1648191338,-1.8103863002,0.0412933358,0.0412933358,GGA+U,P1,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O,29.0,A8BC4D16_aP29_1_8a_a_4a_16a:K-Mg-Mn-O +mp-1104505,KMn2Cr2O10,-7.6505549793,-1.7700608738,0.0848114037,0.0848114037,GGA+U,C2/m,A2BC2D10_mC30_12_i_a_f_3ij:Cr-K-Mn-O,15.0,A2BC2D10_mC30_12_i_a_e_3ij:Cr-K-Mn-O +mp-2225311,KMgMnO2,-6.06193948,-1.7087251377,0.3364718409,0.3364718409,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:K-Mg-Mn-O,5.0,ABCD2_mC10_8_a_a_a_2a:K-Mg-Mn-O +mp-2228444,KMgMn4O8,-7.5995381679,-1.9615203211,0.1937426757,0.1937426757,GGA+U,P1,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O,14.0,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O +mp-2228237,KMgMn4O8,-7.642609545,-2.0045916982,0.1506712986,0.1506712986,GGA+U,P1,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O,14.0,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O +mp-2228567,KMgMn4O8,-7.6505027221,-2.0124848753,0.1427781214,0.1427781214,GGA+U,P1,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O,14.0,ABC4D8_aP14_1_a_a_4a_8a:K-Mg-Mn-O +mp-2226795,KMgMn4O8,-7.622601315,-1.9845834682,0.1706795286,0.1706795286,GGA+U,C2/m,ABC4D8_mC28_12_c_d_abe_2ij:K-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_12_a_b_cde_4ij:K-Mg-Mn-O, expected KMgMn4O12 to be KMgMn4O8" +mp-2233123,KMgMn2Cr2O10,-7.5287177537,-1.9157370266,0.2102063793,0.2102063793,GGA+U,Cm,A2BCD2E10_mC32_8_2a_a_a_b_6a2b:Cr-K-Mg-Mn-O,16.0,A2BCD2E10_mC32_8_2a_a_a_b_6a2b:Cr-K-Mg-Mn-O +mp-1021301,KMg6Cr,-2.1916866919,0.3539541478,0.3685514797,0.3685514797,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-K-Mg, expected KMg12Cr to be KMg6Cr" +mp-1021307,KMg6Cr,-2.1939997219,0.3516411178,0.3662384497,0.3662384497,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-K-Mg, expected KMg12Cr to be KMg6Cr" +mp-1519181,SrV4SnO12,-7.8829907583,-2.2499377515,0.2717572301,0.2717572301,GGA+U,P4/mmm,A12BCD4_tP18_123_efr_a_d_i:O-Sn-Sr-V,18.0,"Invalid WP multiplicities - A12BCD4_tP18_123_2e2fr_a_d_i:O-Sn-Sr-V, expected SrV4SnO16 to be SrV4SnO12" +mp-756857,V4SnO12,-8.0976961165,-2.2326690182,0.0395910525,0.0395910525,GGA+U,C2,A12BC4_mC34_5_6c_a_2c:O-Sn-V,17.0,"Invalid WP multiplicities - A12BC4_mC34_5_12c_a_4c:O-Sn-V, expected V8SnO24 to be V4SnO12" +mp-1519447,Sr2VSnO6,-7.306071167,-2.6908114571,0.0943972891,0.0943972891,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-V,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sn-Sr-V +mp-1207852,VSnO3,-7.5457117175,-1.9590029058,0.2678224333,0.2678224333,GGA+U,Pnma,A3BC_oP20_62_cd_a_c:O-Sn-V,20.0,A3BC_oP20_62_cd_a_c:O-Sn-V +mp-773455,V2SnO7,-7.9403111988,-2.2598907014,0.0,-0.0244402222,GGA+U,Pa-3,A7BC2_cP40_205_ad_b_c:O-Sn-V,40.0,"Invalid WP multiplicities - A7BC2_cP40_205_2a2d_b_c:O-Sn-V, expected V2SnO14 to be V2SnO7" +mp-1217973,SrPrVO4,-8.2081053686,-3.1593824938,0.0101397289,0.0101397289,GGA+U,I4mm,A4BCD_tI14_107_2ab_a_a_a:O-Pr-Sr-V,7.0,A4BCD_tI14_107_2ab_a_a_a:O-Pr-Sr-V +mp-1517869,Sr2PrVO6,-7.698161305,-3.0057682051,0.1984671569,0.1984671569,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Pr-Sr-V,10.0,A6BC2D_cF40_225_e_a_c_b:O-Pr-Sr-V +mp-778681,V3SnO8,-8.22130632,-2.3184063404,0.0695191304,0.0695191304,GGA+U,Cm,A8BC3_mC24_8_8a_a_3a:O-Sn-V,12.0,A8BC3_mC24_8_8a_a_3a:O-Sn-V +mp-1522887,SrPrVSnO6,-7.667415759,-2.7430148189,0.1845635662,0.1845635662,GGA+U,F-43m,A6BCDE_cF40_216_f_c_a_d_b:O-Pr-Sn-Sr-V,10.0,A6BCDE_cF40_216_f_c_a_d_b:O-Pr-Sn-Sr-V +mp-752504,VSnO4,-7.7592086092,-2.2791698142,0.0155572333,0.0155572333,GGA+U,Cmmm,A4BC_oC12_65_gj_a_c:O-Sn-V,24.0,A4BC_oC12_65_gj_a_c:O-Sn-V +mp-1046180,SrTi(PO4)2,-8.0815744629,-3.0828161151,0.0986618625,0.0911077525,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-Ti,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sr-Ti, expected SrTi(PO7)2 to be SrTi(PO4)2" +mp-1208614,SrTi(PO4)2,-8.1751088883,-3.1763505406,0.0051274371,-0.0024266729,GGA,C2/m,A8B2CD_mC24_12_2ij_i_a_c:O-P-Sr-Ti,12.0,A8B2CD_mC24_12_2ij_i_a_d:O-P-Sr-Ti +mp-1191111,SrTi(PO4)2,-8.1802363254,-3.1814779776,0.0,-0.00755411,GGA,C2/c,A8B2CD_mC48_15_4f_f_e_c:O-P-Sr-Ti,24.0,A8B2CD_mC48_15_4f_f_e_a:O-P-Sr-Ti +mp-755864,TiCu(PO4)2,-7.7890509087,-2.5894831262,0.0364689169,0.0364689169,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cu-O-P-Ti,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cu-O-P-Ti, expected TiCu(PO5)3 to be TiCu(PO4)2" +mp-756467,TiCu(PO4)2,-7.7729976733,-2.5734298908,0.0525221523,0.0525221523,GGA,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Cu-O-P-Ti,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Cu-O-P-Ti, expected TiCu(PO10)2 to be TiCu(PO4)2" +mp-772797,Ti2Cu(PO4)3,-8.1118351836,-2.8068150304,0.00853344,0.00853344,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Cu-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Cu-O-P-Ti, expected Ti2Cu(PO26)3 to be Ti2Cu(PO4)3" +mp-1217600,Ti17CuP12,-7.8968242081,-1.1207508403,0.0,-0.0013635051,GGA,P2/m,AB12C17_mP120_10_cdm_12m12n_bh13m20n:Cu-P-Ti,120.0,"Invalid WP multiplicities - AB12C17_mP120_10_cg2m_20m20n_be21m33n:Cu-P-Ti, expected Ti55Cu3P40 to be Ti17CuP12" +mp-569532,TiCu2P,-5.9422450269,-0.5654430610000001,0.0255047425,0.0255047425,GGA,I4_1/amd,A2BC_tI32_141_2e_e_e:Cu-P-Ti,16.0,A2BC_tI32_141_2e_e_e:Cu-P-Ti +mp-1101275,TiCu3(PO4)4,-7.2697940337,-2.2284048074,0.0381601954,0.0381601954,GGA,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Ti,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Ti +mp-1218529,Sr2TiP2O9,-8.0437790896,-3.2851160655,0.0094610295,0.0094610295,GGA,Cc,A9B2C2D_mC56_9_9a_2a_2a_a:O-P-Sr-Ti,28.0,"Invalid WP multiplicities - A9B2C2D_mC56_9_13a_2a_2a_a:O-P-Sr-Ti, expected Sr2TiP2O13 to be Sr2TiP2O9" +mp-17298,SrTi4(PO4)6,-8.3761867937,-3.1055637757,0.0,-0.0206800695,GGA,R-3,A24B6CD4_hR105_148_4f_f_a_2c:O-P-Sr-Ti,35.0,"Invalid WP multiplicities - A24B6CD4_hR105_148_5f_f_a_2c:O-P-Sr-Ti, expected SrTi4(PO5)6 to be SrTi4(PO4)6" +mp-6815,Ti2Cu(PO5)2,-8.14574589,-2.8001670347000003,0.0035325537,0.0035325537,GGA,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Cu-O-P-Ti,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_6e_e_e:Cu-O-P-Ti, expected Ti2Cu(PO6)2 to be Ti2Cu(PO5)2" +mp-1195138,SrTiCu4P4O17,-7.2739087256,-2.3950668638,0.0,-0.0044985581,GGA,P42_12,A4B17C4DE_tP54_90_g_c4g_g_a_c:Cu-O-P-Sr-Ti,54.0,A4B17C4DE_tP54_90_g_c4g_g_a_c:Cu-O-P-Sr-Ti +mp-1217410,Ti27CuP16,-8.0149084536,-1.1083100167,0.0017400191,0.0017400191,GGA,Cm,AB16C27_mC88_8_a_16a_27a:Cu-P-Ti,44.0,AB16C27_mC88_8_a_16a_27a:Cu-P-Ti +mp-582585,SrCu2(PO4)2,-7.0075123903,-2.3699722752,0.0241905943,0.0241905943,GGA,Pccn,A2B8C2D_oP104_56_2e_8e_cde_e:Cu-O-P-Sr,104.0,"Invalid WP multiplicities - A2B8C2D_oP104_56_6e_56e_4c4d6e_e:Cu-O-P-Sr, expected SrCu6(P5O28)2 to be SrCu2(PO4)2" +mp-16321,SrCuP,-4.5530159883,-0.8190151117000001,0.0,-0.1209908522,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-P-Sr,6.0,ABC_hP6_194_c_d_a:Cu-P-Sr +mp-1104000,Sr2Cu6P5,-4.6807956485,-0.4468926131,0.0,-0.0300542663,GGA,I4/mmm,A6B5C2_tI26_139_dg_a2e_e:Cu-P-Sr,13.0,A6B5C2_tI26_139_dg_a2e_e:Cu-P-Sr +mp-10950,Sr2Cu(PO4)2,-7.3375779462,-2.8854003862,0.0,-0.0005170971,GGA,C2/m,AB8C2D2_mC26_12_a_2ij_i_i:Cu-O-P-Sr,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_12_a_3ij_i_i:Cu-O-P-Sr, expected Sr2Cu(PO5)2 to be Sr2Cu(PO4)2" +mp-14931,SrCuP2O7,-7.3163073855,-2.6579322841,0.0,-0.0240868533,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-P-Sr,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-P-Sr +mp-561012,Sr3Cu3(PO4)4,-7.1756322869,-2.6307734494,0.0090081785,0.0090081785,GGA,P2_1/c,A3B16C4D3_mP52_14_ae_8e_2e_de:Cu-O-P-Sr,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_14_ae_31e_3e_2d2e:Cu-O-P-Sr, expected Sr6Cu3(P3O31)2 to be Sr3Cu3(PO4)4" +mp-560776,Sr3Cu3(PO4)4,-7.1752358208,-2.6303769832,0.0094046446,0.0094046446,GGA,C2/c,A3B16C4D3_mC104_15_cf_8f_2f_ef:Cu-O-P-Sr,52.0,"Invalid WP multiplicities - A3B16C4D3_mC104_15_cf_30f_3f_e2f:Cu-O-P-Sr, expected Sr5Cu3(PO10)6 to be Sr3Cu3(PO4)4" +mp-1208222,Ti11CuP8,-7.8196657732,-1.1068638279,0.0,-0.0036364231,GGA,Pbam,AB8C11_oP40_55_a_2g2h_d2g3h:Cu-P-Ti,40.0,AB8C11_oP40_55_a_2g2h_d2g3h:Cu-P-Ti +mp-1227885,Ca2MgFe(CO3)4,-7.9234135938,-2.4055922175,0.0007571552,0.0007571552,GGA+U,P1,A4B2CDE12_aP20_1_4a_2a_a_a_12a:C-Ca-Fe-Mg-O,40.0,"Invalid WP multiplicities - A4B2CDE12_aP20_2_4i_2c_b_b_12i:C-Ca-Fe-Mg-O, expected Ca2MgFe(CO3)8 to be Ca2MgFe(CO3)4" +mp-1312241,Ca2MgFe(CO3)4,-7.9237339514,-2.4059125751,0.0004367976,0.0004367976,GGA+U,P-1,A4B2CDE12_aP20_2_2i_ah_b_e_6i:C-Ca-Fe-Mg-O,80.0,"Invalid WP multiplicities - A4B2CDE12_aP20_2_4i_2b_c_a_12i:C-Ca-Fe-Mg-O, expected Ca2MgFe(CO3)8 to be Ca2MgFe(CO3)4" +mp-6459,CaMg(CO3)2,-7.747362902,-2.5730285838,0.0,-0.003995214,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:C-Ca-Mg-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Ca-Mg-O +mp-6524,CaMg3(CO3)4,-7.6615769315,-2.5075086047,0.0036534245,0.0036534245,GGA,R32,A4BC3D12_hR60_155_ad_b_e_2df:C-Ca-Mg-O,20.0,"Invalid WP multiplicities - A4BC3D12_hR60_155_ad_b_e_2d2f:C-Ca-Mg-O, expected CaMg3(C2O9)2 to be CaMg3(CO3)4" +mp-1022207,Mg6FeC,-2.9764332225,0.4361126528,0.446986687,0.446986687,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Fe-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Fe-Mg +mp-1099287,Mg6FeC,-3.2435904087,0.1689554666,0.1798295008,0.1798295008,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Fe-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Fe-Mg +mp-1227854,Ca3Mg2Fe(CO3)6,-7.8644108033,-2.4610851131,0.0008239967,0.0008239967,GGA+U,P-1,A6B3CD2E18_aP30_2_3i_ai_b_i_9i:C-Ca-Fe-Mg-O,30.0,"Invalid WP multiplicities - A6B3CD2E18_aP30_2_6i_ai_b_i_18i:C-Ca-Fe-Mg-O, expected Ca3Mg2Fe(CO3)12 to be Ca3Mg2Fe(CO3)6" +mp-1222048,MgFe(CO3)2,-7.941825586,-2.1210491348,0.0,-0.001116868,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Fe-Mg-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Fe-Mg-O +mp-1182703,Mg12Fe4C2O47,-5.7787761602,-1.1013123778,0.4814170492,0.4814170492,GGA+U,P1,A2B4C12D47_aP65_1_2a_4a_12a_47a:C-Fe-Mg-O,65.0,A2B4C12D47_aP65_1_2a_4a_12a_47a:C-Fe-Mg-O +mp-1023164,CaMg6C,-2.3085577562,0.2959354528,0.3480603856,0.3480603856,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Ca-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Ca-Mg +mp-1023247,CaMg6C,-2.2746562563,0.3298369528,0.3819618856,0.3819618856,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Ca-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Ca-Mg +mp-1036243,CaMg14CO16,-6.2388842341,-2.7143465637,0.2713319389,0.2713319389,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Ca-Mg-O, expected CaMg18CO20 to be CaMg14CO16" +mp-1036231,CaMg14CO16,-6.2394698425,-2.7149321721,0.2707463305,0.2707463305,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Ca-Mg-O, expected CaMg30CO32 to be CaMg14CO16" +mp-1031706,CaMg6CO8,-6.1554202181,-2.379829258,0.5374874479,0.5374874479,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Ca-Mg-O, expected CaMg6CO12 to be CaMg6CO8" +mp-1031708,CaMg6CO8,-6.1598136925,-2.3842227323,0.5330939735,0.5330939735,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Ca-Mg-O, expected CaMg6CO12 to be CaMg6CO8" +mp-1227755,Ca3MgFe2(CO3)6,-7.981426174,-2.3491091118,0.001680524,0.001680524,GGA+U,P-3,A6B3C2DE18_hP30_147_c2d_ad_d_b_3g:C-Ca-Fe-Mg-O,30.0,"Invalid WP multiplicities - A6B3C2DE18_hP30_147_c4d_ad_d_b_18g:C-Ca-Fe-Mg-O, expected Ca3MgFe2(C5O54)2 to be Ca3MgFe2(CO3)6" +mp-1032137,Mg6FeCO8,-6.3870132481,-2.2073959548,0.4667840681,0.4667840681,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Fe-Mg-O, expected Mg6FeCO12 to be Mg6FeCO8" +mp-1032147,Mg6FeCO8,-6.3445008375,-2.1648835442,0.5092964787,0.5092964787,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Fe-Mg-O, expected Mg6FeCO12 to be Mg6FeCO8" +mp-1037944,CaMg30CO32,-6.2833232683,-2.8843122428,0.1355471582,0.1355471582,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Ca-Mg-O, expected CaMg110CO72 to be CaMg30CO32" +mp-1037929,CaMg30CO32,-6.2825824244,-2.8835713989,0.1362880021,0.1362880021,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Ca-Mg-O, expected CaMg90CO80 to be CaMg30CO32" +mp-1037344,Mg30FeCO32,-6.3227404167,-2.8227228079,0.1363524223,0.1363524223,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Fe-Mg-O, expected Mg110FeCO72 to be Mg30FeCO32" +mp-1037498,Mg30FeCO32,-6.3405974473,-2.8405798386,0.1184953917,0.1184953917,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Fe-Mg-O, expected Mg90FeCO80 to be Mg30FeCO32" +mp-1035480,Mg14FeCO16,-6.3559888934,-2.6294380565,0.2346721047,0.2346721047,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Fe-Mg-O, expected Mg18FeCO20 to be Mg14FeCO16" +mp-1035459,Mg14FeCO16,-6.3286102566,-2.6020594196,0.2620507416,0.2620507416,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Fe-Mg-O, expected Mg30FeCO32 to be Mg14FeCO16" +mp-1028169,CaMg14C,-1.9002245462,0.2021620833,0.2405486969,0.2405486969,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Ca-Mg, expected CaMg18C to be CaMg14C" +mp-1028120,CaMg14C,-1.8125043756,0.2898822539,0.3282688675,0.3282688675,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Ca-Mg, expected CaMg26C to be CaMg14C" +mp-1028387,Mg14FeC,-2.2818457025,0.2245672602,0.2372536334,0.2372536334,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Fe-Mg, expected Mg18FeC to be Mg14FeC" +mp-1099084,Mg14FeC,-2.1660239587,0.3403890039,0.3530753772,0.3530753772,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Fe-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Fe-Mg, expected Mg26FeC to be Mg14FeC" +mp-1193964,Ca2Mg(CO3)3,-7.7874023827,-2.5995574034,0.012052074,0.012052074,GGA,P31c,A3B2CD9_hP30_159_a2b_ab_b_3c:C-Ca-Mg-O,30.0,A3B2CD9_hP30_159_a2b_ab_b_3c:C-Ca-Mg-O +mp-1519370,SrCaZrVO6,-8.282097499,-3.1814142689,0.1246895804,0.1246895804,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-Zr +mp-861249,Zr11VO24,-9.8447571289,-3.6828365158,0.0205175969,0.0205175969,GGA+U,P1,A24BC11_aP36_1_24a_a_11a:O-V-Zr,36.0,A24BC11_aP36_1_24a_a_11a:O-V-Zr +mp-766222,Zr11VO24,-9.8147369911,-3.6528163781,0.0505377347,0.0505377347,GGA+U,Pmm2,A24BC11_oP36_25_2a2b2e2f2h2i_c_defgi:O-V-Zr,36.0,"Invalid WP multiplicities - A24BC11_oP36_25_2a2b4e4f4h7i_c_def2g2i:O-V-Zr, expected Zr17VO56 to be Zr11VO24" +mp-504834,Zr3V3O,-8.574229285,-0.3111565977,0.5720315021,0.5720315021,GGA+U,Fd-3m,AB3C3_cF112_227_c_de_f:O-V-Zr,28.0,AB3C3_cF112_227_c_de_f:O-V-Zr +mp-1272971,Sr2ZrVO6,-8.3515315143,-3.2824589268,0.0087055069,0.0087055069,GGA+U,P-1,A6B2CD_aP40_2_12i_4i_2i_bdi:O-Sr-V-Zr,40.0,A6B2CD_aP40_1_24a_8a_4a_4a:O-Sr-V-Zr +mp-1276679,Sr2ZrVO6,-8.3430549315,-3.2739823441,0.0171820897,0.0171820897,GGA+U,Pnma,A6B2CD_oP40_62_4cd_d_c_c:O-Sr-V-Zr,40.0,"Invalid WP multiplicities - A6B2CD_oP40_62_16cd_d_c_c:O-Sr-V-Zr, expected Sr2ZrVO18 to be Sr2ZrVO6" +mp-1079272,Sr2ZrVO6,-8.340084907,-3.2710123196,0.0201521142,0.0201521142,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-Zr,40.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-Zr +mp-759463,Zr9VO20,-9.786268238,-3.6213687058,0.0597630393,0.0597630393,GGA+U,P1,A20BC9_aP30_1_20a_a_9a:O-V-Zr,30.0,A20BC9_aP30_1_20a_a_9a:O-V-Zr +mp-861179,Zr7VO16,-9.7903286831,-3.6209607723,0.0268374215,0.0268374215,GGA+U,P1,A16BC7_aP24_1_16a_a_7a:O-V-Zr,48.0,A16BC7_aP24_1_16a_a_7a:O-V-Zr +mp-753417,Zr7VO16,-9.758973409,-3.5896054981,0.0581926956,0.0581926956,GGA+U,Cm,A16BC7_mC48_8_8a4b_a_3a2b:O-V-Zr,48.0,A16BC7_mC48_8_8a4b_a_3a2b:O-V-Zr +mp-765485,Zr15VO32,-9.8739277121,-3.7157307479,0.0154013244,0.0154013244,GGA+U,P1,A32BC15_aP48_1_32a_a_15a:O-V-Zr,48.0,A32BC15_aP48_1_32a_a_15a:O-V-Zr +mp-1518218,Ca2ZrVO6,-8.269045842,-3.1367519692,0.1678492537,0.1678492537,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ca-O-V-Zr,,A2B6CD_cF40_225_c_e_a_b:Ca-O-V-Zr +mp-1226968,CaZrV2O8,-8.6611621208,-2.9699435925,0.0143305168,0.0143305168,GGA+U,I-4m2,AB8C2D_tI24_119_a_2i_bc_d:Ca-O-V-Zr,12.0,"Invalid WP multiplicities - AB8C2D_tI24_119_a_6i_bc_d:Ca-O-V-Zr, expected CaZrV2O24 to be CaZrV2O8" +mp-1217608,Zr9V9O2,-8.2439208814,0.1849710047,0.8054628836000001,0.8054628836000001,GGA+U,C2/m,A2B9C9_mC160_12_eij_adf8i4j_6i6j:O-V-Zr,80.0,"Invalid WP multiplicities - A2B9C9_mC160_12_2ei2j_ac2f14i14j_12i24j:O-V-Zr, expected Zr60V45O7 to be Zr9V9O2" +mp-554326,ZrV2O7,-8.9523767803,-2.8181434054,0.0,-0.0708522012,GGA+U,Pa-3,A7B2C_cP40_205_ad_c_b:O-V-Zr,40.0,"Invalid WP multiplicities - A7B2C_cP40_205_3a3d_c_b:O-V-Zr, expected ZrV2O21 to be ZrV2O7" +mp-2226511,MgV3Zn2O8,-7.4542491764,-2.3867495214,0.031397939,0.031397939,GGA+U,C2/m,AB8C3D2_mC28_12_c_2ij_ae_i:Mg-O-V-Zn,14.0,"Invalid WP multiplicities - AB8C3D2_aP14_2_e_7i_abd_i:Mg-O-V-Zn, expected MgV3Zn2O14 to be MgV3Zn2O8" +mp-2217228,MgV2ZnO6,-7.416624419,-2.3458276123,0.1446802795,0.1446802795,GGA+U,Cm,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn,10.0,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn +mp-2217237,MgV2ZnO6,-7.477998544,-2.4072017373,0.0833061545,0.0833061545,GGA+U,Cm,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn,10.0,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn +mp-2217478,MgV2ZnO6,-7.499697781,-2.4289009743,0.0616069175,0.0616069175,GGA+U,Cm,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn,10.0,AB6C2D_mC20_8_a_6a_2a_a:Mg-O-V-Zn +mp-2217171,MgV2ZnO6,-7.451237736,-2.3804409293,0.1100669625,0.1100669625,GGA+U,C2/m,AB6C2D_mC20_12_a_3i_i_d:Mg-O-V-Zn,10.0,AB6C2D_mC20_12_a_3i_i_c:Mg-O-V-Zn +mp-2240439,La2MgVZnO6,-7.5685294536,-2.8870679802,0.2026784903,0.2026784903,GGA+U,R3,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-V-Zn,11.0,A2BC6DE_hR33_146_2a_a_2b_a_a:La-Mg-O-V-Zn +mp-2229625,MgV4Zn2O10,-7.3863978729,-2.0968520693,0.3324088795,0.3324088795,GGA+U,P1,AB10C4D2_aP17_1_a_10a_4a_2a:Mg-O-V-Zn,17.0,AB10C4D2_aP17_1_a_10a_4a_2a:Mg-O-V-Zn +mp-2229119,MgV4Zn2O10,-7.5351125412,-2.2455667375,0.1836942113,0.1836942113,GGA+U,C2/m,AB10C4D2_mC34_12_a_5i_2i_i:Mg-O-V-Zn,17.0,AB10C4D2_mC34_12_a_5i_2i_i:Mg-O-V-Zn +mp-1405776,La2VZnO6,-8.065785351,-3.0762057353,0.0384660926,0.0384660926,GGA+U,R-3,A2B6CD_hR30_148_c_f_a_b:La-O-V-Zn,10.0,A2B6CD_hR30_148_c_f_a_b:La-O-V-Zn +mp-2232229,MgV2Zn4O8,-6.3399359033,-2.047897482,0.1707161344,0.1707161344,GGA+U,C2/m,AB8C2D4_mC30_12_b_2ij_e_aci:Mg-O-V-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_mC30_12_b_3i4j_f_aci:Mg-O-V-Zn, expected MgV2Zn4O22 to be MgV2Zn4O8" +mp-2232574,MgV2Zn4O8,-6.3306017733,-2.038563352,0.1800502644,0.1800502644,GGA+U,C2/m,AB8C2D4_mC30_12_b_2ij_ac_ei:Mg-O-V-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_mC30_12_a_4i3j_bc_fi:Mg-O-V-Zn, expected MgV2Zn4O20 to be MgV2Zn4O8" +mp-2232289,MgV2Zn4O8,-6.338392954,-2.0463545327,0.1722590838,0.1722590838,GGA+U,Imm2,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-V-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_oI30_44_a_4c4d_c_abd:Mg-O-V-Zn, expected MgV2Zn4O16 to be MgV2Zn4O8" +mp-2232455,MgV2Zn4O8,-6.3537150253,-2.061676604,0.1569370124,0.1569370124,GGA+U,Imm2,AB8C2D4_oI30_44_a_2c2d_c_abd:Mg-O-V-Zn,15.0,"Invalid WP multiplicities - AB8C2D4_oI30_44_a_4c4d_c_abd:Mg-O-V-Zn, expected MgV2Zn4O16 to be MgV2Zn4O8" +mp-1032654,Mg6VZnO8,-6.4662947869,-2.7463673075,0.0573476699,0.0573476699,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-V-Zn, expected Mg6VZnO12 to be Mg6VZnO8" +mp-1032031,Mg6VZnO8,-6.4667245837,-2.7467971044,0.056917873,0.056917873,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-V-Zn, expected Mg6VZnO12 to be Mg6VZnO8" +mp-1027984,Mg14VZn,-1.9728302938,0.073892855,0.1105245579,0.1105245579,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-V-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-V-Zn, expected Mg18VZn to be Mg14VZn" +mp-1027975,Mg14VZn,-1.9754508462,0.0712723025,0.1079040054,0.1079040054,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-V-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-V-Zn, expected Mg26VZn to be Mg14VZn" +mp-1411395,La2MgVO6,-8.393823914,-3.3701906543,0.0,-0.0030178184,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-V,10.0,A2BC6D_hR30_148_c_a_f_b:La-Mg-O-V +mp-2233724,La2MgV2O8,-8.4127039131,-3.0885795985,0.1314853058,0.1314853058,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:La-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:La-Mg-O-V, expected La2MgV2O16 to be La2MgV2O8" +mp-2233751,La2MgV2O8,-8.426594615399999,-3.1024703008,0.1175946035,0.1175946035,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:La-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:La-Mg-O-V, expected La2MgV2O14 to be La2MgV2O8" +mp-1233351,MgV8Zn4O16,-7.5958123783,-2.1317598807,0.217343354,0.217343354,GGA+U,P1,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn,29.0,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn +mp-1233918,MgV8Zn4O16,-7.6147762548,-2.1507237572,0.1983794775,0.1983794775,GGA+U,P1,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn,29.0,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn +mp-1233976,MgV8Zn4O16,-7.5757733045,-2.1117208069,0.2373824278,0.2373824278,GGA+U,P1,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn,29.0,AB16C8D4_aP29_1_a_16a_8a_4a:Mg-O-V-Zn +mp-1234113,MgV8Zn4O16,-7.5874458003,-2.1233933028,0.225709932,0.225709932,GGA+U,Pm,AB16C8D4_mP29_6_a_2a2b6c_4c_2a2b:Mg-O-V-Zn,29.0,"Invalid WP multiplicities - AB16C8D4_mP29_6_a_2a2b11c_7c_2a2b:Mg-O-V-Zn, expected MgV14Zn4O26 to be MgV8Zn4O16" +mp-1035209,Mg14VZnO16,-6.3978280869,-2.9011221569,0.0277554815,0.0277554815,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-V-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-V-Zn, expected Mg18VZnO20 to be Mg14VZnO16" +mp-1035195,Mg14VZnO16,-6.3990121344,-2.9023062044,0.026571434,0.026571434,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-V-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-V-Zn, expected Mg30VZnO32 to be Mg14VZnO16" +mp-1037563,Mg30VZnO32,-6.3636946148,-2.9785994595,0.0128595093,0.0128595093,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-V-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-V-Zn, expected Mg90VZnO80 to be Mg30VZnO32" +mp-1037352,Mg30VZnO32,-6.3643801553,-2.979285,0.0121739689,0.0121739689,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-V-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-V-Zn, expected Mg110VZnO72 to be Mg30VZnO32" +mp-1233369,MgV12Zn6O24,-7.7692105849,-2.2602305007,0.0864836442,0.0864836442,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1233628,MgV12Zn6O24,-7.7834593409,-2.2744792567,0.0722348881,0.0722348881,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1233754,MgV12Zn6O24,-7.7749443893,-2.2659643051,0.0807498398,0.0807498398,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1233786,MgV12Zn6O24,-7.765245378799999,-2.2562652947,0.0904488502,0.0904488502,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1233921,MgV12Zn6O24,-7.757452616,-2.2484725319,0.098241613,0.098241613,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1234091,MgV12Zn6O24,-7.7461184542,-2.23713837,0.1095757749,0.1095757749,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1234143,MgV12Zn6O24,-7.7656582719,-2.2566781877,0.0900359572,0.0900359572,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1234562,MgV12Zn6O24,-7.771627946,-2.2626478619,0.084066283,0.084066283,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1234575,MgV12Zn6O24,-7.5966905379,-2.0877104537,0.2590036912,0.2590036912,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1234689,MgV12Zn6O24,-7.7738498121,-2.2648697279,0.081844417,0.081844417,GGA+U,P1,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn,43.0,AB24C12D6_aP43_1_a_24a_12a_6a:Mg-O-V-Zn +mp-1233715,MgV12Zn6O24,-7.7369842579,-2.2280041737,0.1187099712,0.1187099712,GGA+U,Cm,AB24C12D6_mC86_8_a_12a6b_6a3b_6a:Mg-O-V-Zn,43.0,"Invalid WP multiplicities - AB24C12D6_mC86_8_a_12a11b_6a6b_6a:Mg-O-V-Zn, expected MgV18Zn6O34 to be MgV12Zn6O24" +mp-1234342,MgV12Zn6O24,-7.7648503574,-2.2558702733,0.0908438716,0.0908438716,GGA+U,Cm,AB24C12D6_mC86_8_a_12a6b_6a3b_6a:Mg-O-V-Zn,43.0,"Invalid WP multiplicities - AB24C12D6_mC86_8_a_12a11b_6a6b_6a:Mg-O-V-Zn, expected MgV18Zn6O34 to be MgV12Zn6O24" +mp-2218175,MgV2Zn2O7,-6.9403723858,-2.1975056868,0.1765067662,0.1765067662,GGA+U,C2,AB7C2D2_mC24_5_a_a3c_c_2b:Mg-O-V-Zn,12.0,AB7C2D2_mC24_5_a_a3c_c_2b:Mg-O-V-Zn +mp-2218216,MgV2Zn2O7,-6.92718834,-2.1843216409,0.1896908121,0.1896908121,GGA+U,Cm,AB7C2D2_mC24_8_a_3a2b_2a_b:Mg-O-V-Zn,12.0,"Invalid WP multiplicities - AB7C2D2_mC24_8_a_3a4b_2a_b:Mg-O-V-Zn, expected MgV2Zn2O11 to be MgV2Zn2O7" +mp-2233050,MgV4ZnO10,-7.918315965,-2.3769075242,0.1100813684,0.1100813684,GGA+U,Pm,AB10C4D_mP16_6_a_ab4c_2c_b:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - AB10C4D_mP16_6_a_ab7c_3c_b:Mg-O-V-Zn, expected MgV6ZnO16 to be MgV4ZnO10" +mp-2224252,MgV4ZnO10,-7.9939770638,-2.452568623,0.0344202697,0.0344202697,GGA+U,Amm2,AB10C4D_oC32_38_a_ab4c_2c_b:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - AB10C4D_oC32_38_a_ab7c_3c_b:Mg-O-V-Zn, expected MgV6ZnO16 to be MgV4ZnO10" +mp-2232707,MgV4ZnO10,-7.7095765412,-2.1681681005,0.3188207922,0.3188207922,GGA+U,Amm2,AB10C4D_oC32_38_a_ab4c_2c_a:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - AB10C4D_oC32_38_a_ab7c_3c_a:Mg-O-V-Zn, expected MgV6ZnO16 to be MgV4ZnO10" +mp-2232913,MgV4ZnO10,-7.918866205,-2.3774577642,0.1095311284,0.1095311284,GGA+U,Amm2,AB10C4D_oC32_38_a_ab4c_2c_b:Mg-O-V-Zn,16.0,"Invalid WP multiplicities - AB10C4D_oC32_38_a_ab7c_3c_b:Mg-O-V-Zn, expected MgV6ZnO16 to be MgV4ZnO10" +mp-2230193,MgV4Zn2O12,-7.5003661611,-2.2469105776,0.1323798639,0.1323798639,GGA+U,P1,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-V-Zn,19.0,AB12C4D2_aP19_1_a_12a_4a_2a:Mg-O-V-Zn +mp-2228788,MgV4Zn2O12,-7.5042449432,-2.2507893597,0.1285010818,0.1285010818,GGA+U,Pm,AB12C4D2_mP19_6_a_2a2b4c_2a2b_ab:Mg-O-V-Zn,19.0,"Invalid WP multiplicities - AB12C4D2_mP19_6_a_2a2b8c_2a2b_ab:Mg-O-V-Zn, expected MgV4Zn2O20 to be MgV4Zn2O12" +mp-1022609,Mg6VZn,-2.3543514194,0.1388148281,0.1856162502,0.1856162502,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-V-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-V-Zn, expected Mg12VZn to be Mg6VZn" +mp-1022610,Mg6VZn,-2.3518349181,0.1413313294,0.1881327514,0.1881327514,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-V-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-V-Zn, expected Mg12VZn to be Mg6VZn" +mp-559184,Zn2Si3Pb4SO15,-6.8008359994,-2.3215235944,0.0,-0.0080610165,GGA,P2_1,A15B4CD3E2_mP50_4_15a_4a_a_3a_2a:O-Pb-S-Si-Zn,50.0,"Invalid WP multiplicities - A15B4CD3E2_mP50_4_30a_6a_a_4a_3a:O-Pb-S-Si-Zn, expected Zn3Si4Pb6SO30 to be Zn2Si3Pb4SO15" +mp-19028,Na3Fe(PO4)2,-6.9756581179,-2.4872501326,0.0,-0.0042112815,GGA+U,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:Fe-Na-O-P,28.0,AB3C8D2_mC56_15_c_ef_4f_f:Fe-Na-O-P +mp-731625,Na3Zr3Fe(PO4)6,-4.6004640258,0.5152398415,3.4921262026,3.4921262026,GGA+U,P1,AB3C24D6E3_aP74_1_2a_6a_48a_12a_6a:Fe-Na-O-P-Zr,74.0,AB3C24D6E3_aP74_1_2a_6a_48a_12a_6a:Fe-Na-O-P-Zr +mp-733652,NaZr(PO4)2,-7.8565083098,-2.8339799242,0.0933889368,0.0933889368,GGA,P2/c,AB8C2D_mP48_13_ef_8g_2g_g:Na-O-P-Zr,48.0,AB8C2D_mP48_13_ef_8g_2g_g:Na-O-P-Zr +mp-556692,NaFe3(PO4)3,-7.705769995,-2.3198352067,0.0550105098,0.0550105098,GGA+U,C2/c,A3BC12D3_mC76_15_ef_e_6f_ef:Fe-Na-O-P,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_15_2e3f_e_18f_ef:Fe-Na-O-P, expected NaFe8(PO12)3 to be NaFe3(PO4)3" +mp-761060,Na3Fe2(PO4)3,-7.241331694,-2.4159421762,0.0413188677,0.0413188677,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_45e_9e:Fe-Na-O-P, expected Na3Fe(PO5)3 to be Na3Fe2(PO4)3" +mp-759875,Na3Fe2(PO4)3,-7.2425332036,-2.4171436859,0.0401173581,0.0401173581,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_45e_11e:Fe-Na-O-P, expected Na9Fe3P11O45 to be Na3Fe2(PO4)3" +mp-556984,Na3Fe2(PO4)3,-7.280079287,-2.4546897692,0.0025712748,0.0025712748,GGA+U,C2/c,A2B3C12D3_mC80_15_f_cf_6f_ef:Fe-Na-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_cf_22f_2e2f:Fe-Na-O-P, expected Na3Fe2(P3O22)2 to be Na3Fe2(PO4)3" +mp-761073,Na3Fe2(PO4)3,-7.2701936155,-2.4448040977,0.0124569462,0.0124569462,GGA+U,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Fe-Na-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_3c_f_19f_f:Fe-Na-O-P, expected NaFePO19 to be Na3Fe2(PO4)3" +mp-1210447,NaFe2(PO4)2,-7.6225093462,-2.3407645449,0.0523183909,0.0523183909,GGA+U,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Fe-Na-O-P,26.0,A2BC8D2_aP26_2_2i_i_8i_2i:Fe-Na-O-P +mp-704387,NaFe7(PO4)6,-7.4119161189,-1.8378893328,0.5040936581000001,0.5040936581000001,GGA+U,P-1,A7BC24D6_aP38_2_a3i_d_12i_3i:Fe-Na-O-P,38.0,"Invalid WP multiplicities - A7BC24D6_aP38_2_a5i_d_23i_5i:Fe-Na-O-P, expected NaFe11(P5O23)2 to be NaFe7(PO4)6" +mp-1205097,NaFe7(PO4)6,-7.9064350424,-2.3324082562,0.0095747346,0.0095747346,GGA+U,P-1,A7BC24D6_aP38_2_a3i_d_12i_3i:Fe-Na-O-P,38.0,A7BC24D6_aP38_2_a3i_d_12i_3i:Fe-Na-O-P +mp-760263,Na8Fe7(PO4)8,-7.304878038,-2.3690451356,0.0613398683,0.0613398683,GGA+U,Cm,A7B8C32D8_mC110_8_3a2b_4b_8a12b_4a2b:Fe-Na-O-P,55.0,"Invalid WP multiplicities - A7B8C32D8_mC110_8_3a2b_4b_8a16b_4a2b:Fe-Na-O-P, expected Na8Fe7(PO5)8 to be Na8Fe7(PO4)8" +mp-746030,NaFePO4,-7.4090967875,-2.4101533796,0.0048738871,-0.0258537975,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Na-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Fe-Na-O-P +mp-19226,NaFePO4,-7.4139706746,-2.4150272668,0.0,-0.0307276846,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Fe-Na-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Fe-Na-O-P +mp-1192859,NaFePO4,-7.3735585771,-2.3746151693,0.0404120975,0.0096844129,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Na-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Fe-Na-O-P +mp-753672,NaFePO4,-7.4081764864,-2.4092330786,0.0057941882,-0.0249334964,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Fe-Na-O-P,28.0,ABC4D_oC28_63_a_c_fg_c:Fe-Na-O-P +mp-1203835,Na4Fe3P4O15,-7.1321307688,-2.2646805573,0.1939464421,0.1939464421,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Fe-Na-O-P,104.0,A3B4C15D4_oP104_33_3a_4a_15a_4a:Fe-Na-O-P +mp-1180550,Na2ZrP2O11,-6.6497992581,-1.8727410048,0.544875434,0.544875434,GGA,P1,A2B11C2D_aP32_1_4a_22a_4a_2a:Na-O-P-Zr,32.0,A2B11C2D_aP32_1_4a_22a_4a_2a:Na-O-P-Zr +mp-1196272,Na2ZrP2O11,-6.6639701259,-1.8869118726,0.5307045662000001,0.5307045662000001,GGA,P1,A2B11C2D_aP32_1_4a_22a_4a_2a:Na-O-P-Zr,32.0,A2B11C2D_aP32_1_4a_22a_4a_2a:Na-O-P-Zr +mp-18493,Na4Fe2(PO4)3,-7.1030589595,-2.4444725001,0.0187033439,0.0187033439,GGA+U,R-3c,A2B4C12D3_hR126_167_c_be_2f_e:Fe-Na-O-P,42.0,A2B4C12D3_hR126_167_c_be_2f_e:Fe-Na-O-P +mp-554409,Na7Fe4(PO4)6,-7.185503443,-2.4455496381,0.0147409376,0.0147409376,GGA+U,R-3c,A4B7C24D6_hR246_167_ae_bf_4f_f:Fe-Na-O-P,82.0,"Invalid WP multiplicities - A4B7C24D6_hR246_167_2a2e_2b2f_34f_f:Fe-Na-O-P, expected Na7Fe4(PO34)3 to be Na7Fe4(PO4)6" +mp-752506,NaFeP2O7,-7.5284629055,-2.5061017695,0.0,-0.0250892344,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Fe-Na-O-P,22.0,ABC7D2_mP22_4_a_a_7a_2a:Fe-Na-O-P +mp-18774,NaFeP2O7,-7.5269008245,-2.5045396886,0.0015620809,-0.0235271535,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Na-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_7e_5e:Fe-Na-O-P, expected NaFeP5O7 to be NaFeP2O7" +mp-556540,Na3Fe3(PO4)4,-7.4479541854,-2.4411130732,0.0,-0.0125461141,GGA+U,C2/c,A3B3C16D4_mC104_15_cf_ef_8f_2f:Fe-Na-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_2a3f_2e3f_30f_6f:Fe-Na-O-P, expected Na2Fe2(PO5)3 to be Na3Fe3(PO4)4" +mp-761065,Na9Fe3P8O29,-7.1085014111,-2.5355792897,0.0,-0.0052241435,GGA+U,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Fe-Na-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_b2d3g_2d6f45g_2d3g:Fe-Na-O-P, expected Na23Fe3(P11O146)2 to be Na9Fe3P8O29" +mp-818654,Na2FePO5,-6.8964374276,-2.3117909988,0.0478817228,0.0478817228,GGA+U,Pbcn,AB2C5D_oP72_60_d_2d_2c4d_d:Fe-Na-O-P,72.0,AB2C5D_oP72_60_d_2d_2c4d_d:Fe-Na-O-P +mp-1040459,NaFe3P3O13,-7.627268950499999,-2.263296466,0.0333456834,0.0333456834,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Fe-Na-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Fe-Na-O-P, expected NaFe5P3O34 to be NaFe3P3O13" +mp-767499,ZrFe(PO4)3,-8.016828859,-2.5687174534,0.0837140936,0.0837140936,GGA+U,Pna2_1,AB12C3D_oP68_33_a_12a_3a_a:Fe-O-P-Zr,68.0,"Invalid WP multiplicities - AB12C3D_oP68_33_a_46a_10a_a:Fe-O-P-Zr, expected ZrFe(P5O23)2 to be ZrFe(PO4)3" +mp-1203748,Na3FeP8O23,-7.4027473996,-2.5593800424,0.0,-0.0180203823,GGA+U,P4_132,AB3C23D8_cP140_213_a_d_cd3e_ce:Fe-Na-O-P,140.0,AB3C23D8_cP140_213_a_d_cd3e_ce:Fe-Na-O-P +mp-1195335,Na2Fe3(PO4)3,-7.5674816037,-2.3847172902,0.0160461615,0.0160461615,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Fe-Na-O-P,80.0,A3B2C12D3_mP80_14_3e_2e_12e_3e:Fe-Na-O-P +mp-558822,Na2Fe3(PO4)3,-7.574170096,-2.3914057824,0.0093576692,0.0093576692,GGA+U,C2/c,A3B2C12D3_mC80_15_ef_ae_6f_ef:Fe-Na-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_e2f_ae_23f_2e3f:Fe-Na-O-P, expected Na2Fe5(P4O23)2 to be Na2Fe3(PO4)3" +mp-1221450,Na2Fe7(PO4)6,-7.7936190521,-2.3286051247,0.0324577194,0.0324577194,GGA+U,P-1,A7B2C24D6_aP39_2_a3i_i_12i_3i:Fe-Na-O-P,39.0,"Invalid WP multiplicities - A7B2C24D6_aP39_2_a5i_i_24i_5i:Fe-Na-O-P, expected Na2Fe11(P5O24)2 to be Na2Fe7(PO4)6" +mp-20892,ZrFeP,-8.529252605,-1.0522444894,0.0,-0.1230665361,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-P-Zr,12.0,ABC_oP12_62_c_c_c:Fe-P-Zr +mp-764111,NaFe(PO3)3,-7.5623487873,-2.5228736141,0.0096624916,0.0096624916,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Fe-Na-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Fe-Na-O-P, expected NaFe(P3O11)3 to be NaFe(PO3)3" +mp-540809,Zr2Fe12P7,-8.1946149457,-0.7361019302,0.0,-0.090897602,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Zr,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Zr +mp-1176325,Na6Fe3(PO4)4,-7.0209884334,-2.3952834404,0.0503891497,0.0503891497,GGA+U,Cc,A3B6C16D4_mC116_9_3a_6a_16a_4a:Fe-Na-O-P,58.0,"Invalid WP multiplicities - A3B6C16D4_mC116_9_4a_10a_31a_6a:Fe-Na-O-P, expected Na10Fe4P6O31 to be Na6Fe3(PO4)4" +mp-1220949,Na7Fe4P9O32,-7.3254324737,-2.5148262580000003,0.0051639585,0.0051639585,GGA+U,P2_1,A4B7C32D9_mP104_4_4a_7a_32a_9a:Fe-Na-O-P,104.0,"Invalid WP multiplicities - A4B7C32D9_mP104_4_5a_8a_40a_11a:Fe-Na-O-P, expected Na8Fe5P11O40 to be Na7Fe4P9O32" +mp-6475,NaZr2(PO4)3,-8.3925678828,-3.1693401823,0.0,-0.0480582337,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Zr,36.0,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Zr +mp-1105063,Zr(Fe2P)2,-8.3063879071,-0.6986178381,0.0136204744,0.0136204744,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Fe-P-Zr,14.0,A4B2C_tP14_136_i_f_a:Fe-P-Zr +mp-1180130,NaZrP2O9,-7.2722661587,-2.2555715942,0.4466150468,0.4466150468,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Na-O-P-Zr,52.0,AB9C2D_mP52_14_e_9e_2e_e:Na-O-P-Zr +mp-11580,TiCrP,-8.6053521656,-0.9514048344,0.0,-0.1634744297,GGA,P-62m,ABC_hP9_189_f_bc_g:Cr-P-Ti,9.0,ABC_hP9_189_f_bc_g:Cr-P-Ti +mp-1216841,TiCrP2,-7.8577375,-0.7639513750000001,0.0963268688,0.0963268688,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cr-P-Ti,4.0,AB2C_hP4_164_a_d_b:Cr-P-Ti +mp-1217080,TiCr2P3,-7.9248896904,-0.6846406110000001,0.068431845,0.068431845,GGA,Pm,A2B3C_mP24_6_2a6b_6a6b_4a:Cr-P-Ti,24.0,A2B3C_mP24_6_2a6b_6a6b_4a:Cr-P-Ti +mp-1207502,Zn2Cr5(PO4)6,-7.9817146719,-2.5226587616,0.0073604624,0.0073604624,GGA+U,P-1,A5B24C6D2_aP37_2_a2i_12i_3i_i:Cr-O-P-Zn,37.0,A5B24C6D2_aP37_2_a2i_12i_3i_i:Cr-O-P-Zn +mp-1044311,TiZnCr(PO4)3,-7.9641892586,-2.7192750835,0.0105643692,0.0105643692,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Cr-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Cr-O-P-Ti-Zn, expected TiZnCr(PO18)3 to be TiZnCr(PO4)3" +mp-773127,TiCr3(PO4)6,-7.9833776518,-2.4523488713,0.0659514296,0.0659514296,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Cr-O-P-Ti,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Cr-O-P-Ti, expected TiCr3(PO10)6 to be TiCr3(PO4)6" +mp-1040837,ZnCr2(PO4)2,-7.8352672388,-2.3763477578,0.055673916,0.055673916,GGA+U,C2/c,A2B8C2D_mC104_15_cef_8f_2f_f:Cr-O-P-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_15_2ce2f_30f_6f_f:Cr-O-P-Zn, expected Zn2Cr7(PO5)12 to be ZnCr2(PO4)2" +mp-555289,Ti4Cr3(PO4)6,-8.5159488295,-2.7932068136,0.0480271676,0.0480271676,GGA+U,P-1,A3B24C6D4_aP37_2_ai_12i_3i_2i:Cr-O-P-Ti,37.0,"Invalid WP multiplicities - A3B24C6D4_aP37_2_ai_24i_5i_4i:Cr-O-P-Ti, expected Ti8Cr3(P5O24)2 to be Ti4Cr3(PO4)6" +mp-774416,Ti3Cr(PO4)6,-8.1738719659,-2.7462288003,0.0510137517,0.0510137517,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cr-O-P-Ti,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cr-O-P-Ti, expected Ti3Cr(PO10)6 to be Ti3Cr(PO4)6" +mp-1044104,ZnCr2(PO5)2,-7.6323608697,-2.2417388246,0.1064289631,0.1064289631,GGA+U,Fddd,A2B10C2D_oF120_70_c_e2h_e_b:Cr-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_70_c_2e8h_e_b:Cr-O-P-Zn, expected ZnCr2(PO18)2 to be ZnCr2(PO5)2" +mp-776640,Ti5Cr(PO4)6,-8.4525511144,-2.8878052349,0.0840882269,0.0840882269,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Cr-O-P-Ti,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_22b_3b_5a:Cr-O-P-Ti, expected Ti5Cr(P3O22)3 to be Ti5Cr(PO4)6" +mp-1040893,ZnCr2P2O9,-7.8747251334,-2.4523935645,0.0532632229,0.0532632229,GGA+U,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Cr-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Cr-O-P-Zn, expected ZnCr2P2O11 to be ZnCr2P2O9" +mp-1046678,ZnCrPO5,-7.5137035956,-2.3812614528,0.0556011155,0.0556011155,GGA+U,Cc,AB5CD_mC32_9_a_5a_a_a:Cr-O-P-Zn,16.0,AB5CD_mC32_9_a_5a_a_a:Cr-O-P-Zn +mp-1044382,TiCr(PO4)3,-8.0897463785,-2.6104104055,0.0489341132,0.0489341132,GGA+U,R3c,AB12C3D_hR102_161_a_4b_b_a:Cr-O-P-Ti,34.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_18b_b_a:Cr-O-P-Ti, expected TiCr(PO18)3 to be TiCr(PO4)3" +mp-1101303,Ti2Cr(PO4)3,-8.4768030692,-2.8632362048,0.0381238449,0.0381238449,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Cr-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Cr-O-P-Ti, expected Ti2Cr(PO26)3 to be Ti2Cr(PO4)3" +mp-770565,TiCr(PO4)2,-8.4537845606,-2.7913967114,0.0394299264,0.0394299264,GGA+U,P1,AB8C2D_aP36_1_3a_24a_6a_3a:Cr-O-P-Ti,36.0,AB8C2D_aP36_1_3a_24a_6a_3a:Cr-O-P-Ti +mp-1337096,ZnCrP2O7,-7.5835816618,-2.4593801098,0.0199525582,0.0199525582,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Cr-O-P-Zn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Cr-O-P-Zn +mp-1042062,ZnCrP2O7,-7.5882502577,-2.4640487057,0.0152839623,0.0152839623,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Cr-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Cr-O-P-Zn +mp-1048332,ZnCrP2O7,-7.5855086566,-2.4613071046,0.0180255635,0.0180255635,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Cr-O-P-Zn, expected ZnCrP7O23 to be ZnCrP2O7" +mp-1041468,ZnCr3P3O13,-7.9945186088,-2.4562312694,0.0769432057,0.0769432057,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Cr-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Cr-O-P-Zn, expected ZnCr5P3O34 to be ZnCr3P3O13" +mp-776740,Li2MnWO6,-7.7084388235,-2.1466264712,0.0553143738,0.0553143738,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Li-Mn-O-W,20.0,A2BC6D_hR30_146_2a_a_2b_a:Li-Mn-O-W +mp-777686,Li9Mn3(WO4)7,-8.0511018872,-2.2238562021,0.0707688367,0.0707688367,GGA+U,R3m,A9B3C28D7_hR141_160_bc_b_a5b2c_a2b:Li-Mn-O-W,47.0,"Invalid WP multiplicities - A9B3C28D7_hR141_160_2b2c_b_a10b6c_a3b:Li-Mn-O-W, expected Li18Mn3W10O67 to be Li9Mn3(WO4)7" +mp-774672,Li4Mn(WO4)3,-7.9953475295,-2.2437294303,0.0686639765,0.0686639765,GGA+U,P1,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Mn-O-W,20.0,A4BC12D3_aP20_1_4a_a_12a_3a:Li-Mn-O-W +mp-755247,Li4Mn(WO4)3,-8.015356065,-2.2637379658,0.048655441,0.048655441,GGA+U,P2,A4BC12D3_mP20_3_abcd_a_6e_bcd:Li-Mn-O-W,40.0,"Invalid WP multiplicities - A4BC12D3_mP20_3_abcd_a_6e_bc2d:Li-Mn-O-W, expected Li4Mn(WO3)4 to be Li4Mn(WO4)3" +mp-756701,Li3Mn3WO8,-7.848245438,-2.1319484783,0.0710874787,0.0710874787,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Li-Mn-O-W,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_d_e_2c2h_a:Li-Mn-O-W, expected Li3Mn3WO16 to be Li3Mn3WO8" +mp-773363,Li4Mn3WO8,-7.6099373519,-2.1316012729,0.0722389638,0.0722389638,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Mn-O-W,32.0,A4B3C8D_hR48_166_ae_d_ch_b:Li-Mn-O-W +mp-771313,Li7Mn3(WO8)2,-7.3149754443,-2.1038402378,0.0771872317,0.0771872317,GGA+U,Cm,A7B3C16D2_mC56_8_5ab_ab_8a4b_2a:Li-Mn-O-W,28.0,"Invalid WP multiplicities - A7B3C16D2_mC56_8_5a2b_ab_8a6b_2a:Li-Mn-O-W, expected Li9Mn3(WO10)2 to be Li7Mn3(WO8)2" +mp-758707,Li2Mn3WO8,-8.1293668623,-2.1411146102,0.0610021698,0.0610021698,GGA+U,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Li-Mn-O-W,56.0,"Invalid WP multiplicities - A2B3C8D_oP56_19_5a_9a_29a_a:Li-Mn-O-W, expected Li5Mn9WO29 to be Li2Mn3WO8" +mp-1177924,Li2Mn3WO8,-8.1159401125,-2.1276878604,0.0744289196,0.0744289196,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-W,28.0,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-W +mp-771959,Li2Mn3WO8,-8.1416971889,-2.1534449368,0.0486718432,0.0486718432,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Mn-O-W,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Mn-O-W, expected Li3Mn3WO30 to be Li2Mn3WO8" +mp-21449,NbCoP,-8.4237962108,-0.8828210969,0.0,-0.1015666992,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Nb-P,12.0,ABC_oP12_62_c_c_c:Co-Nb-P +mp-1199515,Nb2Co3(PO7)4,-6.9989840349,-1.5479554563,0.3284307653,0.3284307653,GGA+U,P2_1/c,A3B2C28D4_mP74_14_ae_e_14e_2e:Co-Nb-O-P,74.0,A3B2C28D4_mP74_14_ae_e_14e_2e:Co-Nb-O-P +mp-771766,Nb3Co(PO4)6,-8.2587491891,-2.7113204531,0.0,-0.0136883242,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Co-Nb-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Co-Nb-O-P, expected Nb3Co(PO10)6 to be Nb3Co(PO4)6" +mp-562076,Nb2Co(P2O7)3,-8.1107692367,-2.655062375,0.0097450166,0.0097450166,GGA+U,P2_1/c,AB2C21D6_mP60_14_a_e_c10e_3e:Co-Nb-O-P,60.0,"Invalid WP multiplicities - AB2C21D6_mP60_14_a_e_2c36e_9e:Co-Nb-O-P, expected Nb2Co(P9O37)2 to be Nb2Co(P2O7)3" +mp-771952,FeCo3(PO4)4,-7.5524784775,-2.1110116441,0.0447235679,0.0447235679,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Fe-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Fe-O-P +mp-770879,Fe5Co(PO4)6,-7.8063952411,-2.2325405757,0.0628808258,0.0628808258,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Co-Fe-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Co-Fe-O-P, expected Fe5Co(PO10)6 to be Fe5Co(PO4)6" +mp-756466,NbCo3(PO4)4,-7.6608409867,-2.1514039937,0.2605991841,0.2605991841,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Nb-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Nb-O-P +mp-757261,Fe2Co(PO4)3,-7.7371745039,-2.2011449333,0.0543661283,0.0543661283,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Co-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Co-Fe-O-P, expected Fe2Co(PO26)3 to be Fe2Co(PO4)3" +mp-1200248,Nb2Co4P3,-7.9768139769,-0.7683930014,0.0046264173,0.0046264173,GGA,P-62m,A4B2C3_hP36_189_agjk_cfg_2fk:Co-Nb-P,36.0,A4B2C3_hP36_189_agjk_cfg_2fk:Co-Nb-P +mp-775299,FeCo(PO4)2,-7.6665673679,-2.1683628922,0.0472378296,0.0472378296,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Co-Fe-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Co-Fe-O-P, expected FeCo(PO5)3 to be FeCo(PO4)2" +mp-772669,FeCo(PO4)2,-7.6553694783,-2.1571650026,0.0584357192,0.0584357192,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Co-Fe-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Co-Fe-O-P, expected FeCo(PO10)2 to be FeCo(PO4)2" +mp-15842,Nb2Co12P7,-7.4758908895,-0.6475317863000001,0.0,-0.0191722085,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Nb-P,21.0,"Invalid WP multiplicities - A12B2C7_hP21_174_4j4k_ad_ej2k:Co-Nb-P, expected NbCo12P5 to be Nb2Co12P7" +mp-21447,Nb4CoP,-9.2524414358,-0.4313013589,0.0534355846,0.0534355846,GGA,P4/mcc,AB4C_tP12_124_a_m_c:Co-Nb-P,12.0,AB4C_tP12_124_a_m_c:Co-Nb-P +mp-774667,Fe3Co(PO4)4,-7.7937005558,-2.2387584378,0.0367077937,0.0367077937,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Fe-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Fe-O-P +mp-18085,Fe4Co3(PO4)6,-7.8453197227,-2.2667958758,0.0079564358,0.0079564358,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Co-Fe-O-P,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_4i_14i_3i:Co-Fe-O-P, expected Fe8Co3(P3O14)2 to be Fe4Co3(PO4)6" +mp-542157,FeCoPO5,-7.7310804022,-2.0154447687,0.0957693076,0.0957693076,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Co-Fe-O-P,32.0,ABC5D_oP32_62_a_c_3cd_c:Co-Fe-O-P +mp-758381,NbFe3Co2(PO4)6,-7.9615018408,-2.3801588306,0.0545236824,0.0545236824,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Co-Fe-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_20b_2b:Co-Fe-Nb-O-P, expected NbFe3Co2(PO10)6 to be NbFe3Co2(PO4)6" +mp-1218881,Sr2AlV11O22,-8.6820591764,-2.6855402554000003,0.0282491895,0.0282491895,GGA+U,Amm2,AB22C2D11_oC72_38_a_ab4cde2f_ab_b3cf:Al-O-Sr-V,36.0,"Invalid WP multiplicities - AB22C2D11_oC72_38_a_ab7c2d2e7f_ab_b5c3f:Al-O-Sr-V, expected Sr2AlV23O52 to be Sr2AlV11O22" +mp-1046035,Sr2AlTlV2O7,-7.0979289623,-2.3070182698,0.4833474143,0.4833474143,GGA+U,P4/mmm,AB7C2DE2_tP13_123_b_ahi_g_c_h:Al-O-Sr-Tl-V,13.0,AB7C2DE2_tP13_123_b_ahi_g_c_h:Al-O-Sr-Tl-V +mp-560156,SrTlVO4,-7.2265982975,-2.5233415096,0.0,-0.0162731418,GGA+U,P2_12_12_1,A4BCD_oP28_19_4a_a_a_a:O-Sr-Tl-V,28.0,"Invalid WP multiplicities - A4BCD_oP28_19_13a_a_a_a:O-Sr-Tl-V, expected SrTlVO13 to be SrTlVO4" +mp-868646,Li4V5Sn3O16,-7.4975633954,-2.3464577967,0.0344054963,0.0344054963,GGA+U,P1,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Sn-V,28.0,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Sn-V +mp-867740,Li4V5Sn3O16,-7.4777281893,-2.3266225907,0.0542407023,0.0542407023,GGA+U,Cm,A4B16C3D5_mC56_8_4a_8a4b_ab_3ab:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A4B16C3D5_mC56_8_4a_8a6b_ab_3ab:Li-O-Sn-V, expected Li4V5Sn3O20 to be Li4V5Sn3O16" +mp-756881,Li5V2Ni5O12,-6.7350152887,-1.9027913551,0.066881636,0.066881636,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Ni-O-V,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Ni-O-V, expected Li9V2Ni5O12 to be Li5V2Ni5O12" +mp-1223227,Li22(VSn)7,-3.6730060253,0.0395119898,0.3469570601,0.3469570601,GGA,P3m1,A22B7C7_hP36_156_6a6b10c_2a3b2c_4a3b:Li-Sn-V,36.0,A22B7C7_hP36_156_6a6b10c_2a3b2c_4a3b:Li-Sn-V +mp-850189,LiVSnO4,-7.3016466364,-2.3317672598,0.0,-0.0028159229,GGA+U,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Sn-V,14.0,AB4CD_oI28_74_e_hi_a_c:Li-O-Sn-V +mp-773600,LiVSnO4,-7.1567726786,-2.1868933019,0.1448739579,0.142058035,GGA+U,P4_322,AB4CD_tP28_95_a_2d_c_b:Li-O-Sn-V,28.0,"Invalid WP multiplicities - AB4CD_tP28_95_a_3d_c_b:Li-O-Sn-V, expected LiVSnO6 to be LiVSnO4" +mp-770620,Li4VNi3O8,-6.4492089344,-1.8471141052,0.0839138146,0.0839138146,GGA+U,P1,A4B3C8D_aP16_1_4a_3a_8a_a:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-V, expected Li4VNi3O16 to be Li4VNi3O8" +mp-885625,Li4VNi3O8,-6.4378935575,-1.8357987283,0.0952291915,0.0952291915,GGA+U,R3m,A4B3C8D_hR48_160_ab_b_2a2b_a:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-V, expected Li4VNi3O16 to be Li4VNi3O8" +mp-769574,Li7V6Ni5O24,-7.2563777295,-2.1257322782,0.0179453922,0.0179453922,GGA+U,P-1,A7B5C24D6_aP42_2_f3i_abci_12i_3i:Li-Ni-O-V,42.0,"Invalid WP multiplicities - A7B5C24D6_aP42_2_f6i_abc2i_24i_4i:Li-Ni-O-V, expected Li13V8Ni7O48 to be Li7V6Ni5O24" +mp-1177769,Li2VNiO4,-6.9508572225,-2.1422768065,0.0446393268,0.0446393268,GGA+U,P-1,A2BC4D_aP24_2_3i_ai_6i_ci:Li-Ni-O-V,24.0,"Invalid WP multiplicities - A2BC4D_aP24_2_6i_ai_12i_ci:Li-Ni-O-V, expected Li4VNiO8 to be Li2VNiO4" +mp-754183,Li2VNiO4,-6.953997415,-2.145416999,0.0414991343,0.0414991343,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Li-Ni-O-V,8.0,"Invalid WP multiplicities - A2BC4D_mP8_10_bg_c_2m2n_e:Li-Ni-O-V, expected Li2VNiO8 to be Li2VNiO4" +mp-1282947,Li2VNiO4,-6.9427326681,-2.1341522521,0.0527638812,0.0527638812,GGA+U,C2/m,A2BC4D_mC32_12_hi_ab_2ij_e:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A2BC4D_mC32_12_hi_ab_4ij_e:Li-Ni-O-V, expected Li2VNiO6 to be Li2VNiO4" +mp-1305888,Li2VNiO4,-6.9463331006,-2.1377526846,0.0491634487,0.0491634487,GGA+U,C2/m,A2BC4D_mC32_12_ace_f_2ij_bd:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A2BC4D_mC32_12_ad2e_f_4i3j_bc:Li-Ni-O-V, expected Li3VNiO10 to be Li2VNiO4" +mp-753337,Li2VNiO4,-6.9542798594,-2.1456994433,0.0412166899,0.0412166899,GGA+U,Imma,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-V,16.0,A2BC4D_oI32_74_ac_b_hi_d:Li-Ni-O-V +mp-754650,Li2V3NiO8,-7.7065110371,-2.2477103005,0.0695526751,0.0695526751,GGA+U,Cm,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Ni-O-V,14.0,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Ni-O-V +mp-777896,Li2V3NiO8,-7.7496045414,-2.2908038048,0.0264591708,0.0264591708,GGA+U,P31c,A2BC8D3_hP28_159_ab_b_ab2c_c:Li-Ni-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_hP28_159_a2b_b_a2b9c_c:Li-Ni-O-V, expected Li3V3NiO30 to be Li2V3NiO8" +mp-1177514,Li3V2(NiO4)2,-7.070742052,-2.0688511327,0.087502775,0.087502775,GGA+U,C2/m,A3B2C8D2_mC30_12_be_f_2ij_ac:Li-Ni-O-V,15.0,"Invalid WP multiplicities - A3B2C8D2_mC30_12_b2f_e_4ij_ac:Li-Ni-O-V, expected Li5V2(NiO6)2 to be Li3V2(NiO4)2" +mp-771823,LiVNiO4,-7.312234495,-2.0894172862,0.0234696321,0.0234696321,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-V,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-V +mp-755625,LiVNiO4,-7.3274122821,-2.1045950733,0.008291845,0.008291845,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Ni-O-V,14.0,ABC4D_oC28_63_c_a_fg_c:Li-Ni-O-V +mp-756943,LiVNiO4,-7.3345845736,-2.1117673648,0.0011195536,0.0011195536,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Li-Ni-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Li-Ni-O-V +mp-754315,Li3V4SnO12,-7.636393311,-2.3647818475,0.0693259923,0.0693259923,GGA+U,P1,A3B12CD4_aP20_1_3a_12a_a_4a:Li-O-Sn-V,20.0,A3B12CD4_aP20_1_3a_12a_a_4a:Li-O-Sn-V +mp-754074,Li2V2SnO6,-7.3654898577,-2.3040933127,0.0868193759,0.0868193759,GGA+U,Cmce,A2B6CD2_oC44_64_e_fg_a_d:Li-O-Sn-V,22.0,A2B6CD2_oC44_64_e_fg_a_d:Li-O-Sn-V +mp-775442,Li4V3Ni3(SnO8)2,-7.0362279393,-2.0578714105,0.0773249555,0.0773249555,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Sn-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Sn-V +mp-774588,Li4V3Ni3(SnO8)2,-7.0216416468,-2.043285118,0.091911248,0.091911248,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Sn-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Ni-O-Sn-V, expected Li4V3Ni3(SnO10)2 to be Li4V3Ni3(SnO8)2" +mp-776323,Li2V5NiO12,-8.020758556,-2.3018696911,0.0645515601,0.0645515601,GGA+U,C2,A2BC12D5_mC40_5_ab_a_6c_b2c:Li-Ni-O-V,20.0,"Invalid WP multiplicities - A2BC12D5_mC40_5_ab_a_12c_b4c:Li-Ni-O-V, expected Li2V9NiO24 to be Li2V5NiO12" +mp-754924,Li2V5NiO12,-7.9531073355,-2.2342184706,0.1322027806,0.1322027806,GGA+U,C2,A2BC12D5_mC40_5_ab_a_6c_b2c:Li-Ni-O-V,20.0,"Invalid WP multiplicities - A2BC12D5_mC40_5_ab_a_12c_b4c:Li-Ni-O-V, expected Li2V9NiO24 to be Li2V5NiO12" +mp-1282931,Li5V2Ni3O10,-6.7753088802,-2.049322699,0.070540601,0.070540601,GGA+U,P1,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Ni-O-V,40.0,A5B3C10D2_aP20_1_5a_3a_10a_2a:Li-Ni-O-V +mp-781051,Li5V2Ni3O10,-6.7768398248,-2.0508536435,0.0690096565,0.0690096565,GGA+U,P-1,A5B3C10D2_aP40_2_5i_ab2i_10i_2i:Li-Ni-O-V,40.0,"Invalid WP multiplicities - A5B3C10D2_aP40_2_7i_ab2i_15i_3i:Li-Ni-O-V, expected Li7V3(NiO5)3 to be Li5V2Ni3O10" +mp-1235087,LiV4(NiO6)2,-7.7508707805,-2.0053399889,0.1679759149,0.1679759149,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Li-Ni-O-V,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Li-Ni-O-V +mp-1235775,LiV4(NiO6)2,-7.7568141305,-2.0112833389,0.1620325649,0.1620325649,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Li-Ni-O-V,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Li-Ni-O-V +mp-807975,Li4V3NiO8,-7.1702936075,-2.1552276046,0.199320612,0.199320612,GGA+U,P-1,A4BC8D3_aP16_2_acde_b_4i_fgh:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_aP16_2_acde_b_8i_fgh:Li-Ni-O-V, expected Li4V3NiO16 to be Li4V3NiO8" +mp-773925,Li4V3NiO8,-7.2829160694,-2.2678500665,0.0866981501,0.0866981501,GGA+U,C2/m,A4BC8D3_mC32_12_abe_c_2ij_df:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_mC32_12_abf_c_4i2j_de:Li-Ni-O-V, expected Li4V3NiO16 to be Li4V3NiO8" +mp-772714,Li4V3NiO8,-7.2996653894,-2.2845993865,0.0699488301,0.0699488301,GGA+U,R-3m,A4BC8D3_hR48_166_ae_b_ch_d:Li-Ni-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_hR48_166_ae_b_2c2h_d:Li-Ni-O-V, expected Li4V3NiO16 to be Li4V3NiO8" +mp-777392,Li4V3Ni2Sn3O16,-7.0344170929,-2.1192950221,0.0773652158,0.0773652158,GGA+U,P1,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Ni-O-Sn-V,28.0,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Ni-O-Sn-V +mp-756263,Li4V3Ni2Sn3O16,-7.01857332,-2.1034512492,0.0932089887,0.0932089887,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Ni-O-Sn-V,28.0,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Ni-O-Sn-V +mp-1296375,Li2V3SnO8,-7.7401963436,-2.407864523,0.0220948032,0.0216898792,GGA+U,P1,A2B8CD3_aP28_1_4a_16a_2a_6a:Li-O-Sn-V,28.0,A2B8CD3_aP28_1_4a_16a_2a_6a:Li-O-Sn-V +mp-1297753,Li2V3SnO8,-7.7035474493,-2.3712156287,0.0587436975,0.0583387735,GGA+U,P1,A2B8CD3_aP28_1_4a_16a_2a_6a:Li-O-Sn-V,28.0,A2B8CD3_aP28_1_4a_16a_2a_6a:Li-O-Sn-V +mp-1290584,Li2V3SnO8,-7.7412499082,-2.4089180876,0.0210412386,0.0206363146,GGA+U,P-1,A2B8CD3_aP28_2_2i_8i_i_abcefh:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_3i_14i_i_abcefh:Li-O-Sn-V, expected Li3V3SnO14 to be Li2V3SnO8" +mp-1275873,Li2V3SnO8,-7.7035959586,-2.371264138,0.0586951882,0.0582902642,GGA+U,Pc,A2B8CD3_mP28_7_2a_8a_a_3a:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mP28_7_2a_10a_a_6a:Li-O-Sn-V, expected Li2V6SnO10 to be Li2V3SnO8" +mp-1273508,Li2V3SnO8,-7.7044911643,-2.3721593437,0.0577999825,0.0573950585,GGA+U,Cm,A2B8CD3_mC28_8_2a_4a2b_a_ab:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP14_1_2a_8a_a_6a:Li-O-Sn-V, expected Li2V6SnO8 to be Li2V3SnO8" +mp-776870,Li2V3SnO8,-7.7622911468,-2.4299593262,0.0,-0.000404924,GGA+U,Cc,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_9_3a_14a_a_4a:Li-O-Sn-V, expected Li3V4SnO14 to be Li2V3SnO8" +mp-1303812,Li2V3SnO8,-7.7037589579,-2.3714271373,0.0585321889,0.0581272649,GGA+U,Cc,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_9_2a_10a_a_6a:Li-O-Sn-V, expected Li2V6SnO10 to be Li2V3SnO8" +mp-1303800,Li2V3SnO8,-7.7029789725,-2.3706471519,0.0593121743,0.0589072503,GGA+U,Cc,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_9_2a_10a_a_6a:Li-O-Sn-V, expected Li2V6SnO10 to be Li2V3SnO8" +mp-1275037,Li2V3SnO8,-7.744209105,-2.4118772844,0.0180820418,0.0176771178,GGA+U,C2/m,A2B8CD3_mC28_12_i_2ij_c_ae:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC28_12_i_2i2j_a_2d2e:Li-O-Sn-V, expected Li2V6SnO12 to be Li2V3SnO8" +mp-1312602,Li2V3SnO8,-7.7445733057,-2.4122414851,0.0177178411,0.0173129171,GGA+U,C2/c,A2B8CD3_mC56_15_f_4f_c_abe:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_15_f_9f_a_2c2de:Li-O-Sn-V, expected Li2V5SnO18 to be Li2V3SnO8" +mp-774946,Li2V3SnO8,-7.7069355904,-2.3746037698,0.0553555564,0.0549506324,GGA+U,P2_12_12_1,A2B8CD3_oP56_19_2a_8a_a_3a:Li-O-Sn-V,56.0,"Invalid WP multiplicities - A2B8CD3_oP56_19_5a_29a_a_9a:Li-O-Sn-V, expected Li5V9SnO29 to be Li2V3SnO8" +mp-772952,Li2V3SnO8,-7.7063404341,-2.3740086135,0.0559507127,0.0555457887,GGA+U,P4_332,A2B8CD3_cP56_212_c_ce_a_d:Li-O-Sn-V,56.0,"Invalid WP multiplicities - A2B8CD3_cP56_212_c_8c9e_a_d:Li-O-Sn-V, expected Li2V3SnO70 to be Li2V3SnO8" +mp-774164,Li2V3SnO8,-7.7421777798,-2.4098459592,0.020113367,0.0197084429,GGA+U,P4_32_12,A2B8CD3_tP56_96_b_4b_a_ab:Li-O-Sn-V,56.0,"Invalid WP multiplicities - A2B8CD3_tP56_96_b_29b_a_3a2b:Li-O-Sn-V, expected Li2V7SnO58 to be Li2V3SnO8" +mp-779083,Li2V3SnO8,-7.6731015714,-2.3407697508,0.0891895754,0.0887846513,GGA+U,R3m,A2B8CD3_hR42_160_2a_2a2b_a_b:Li-O-Sn-V,14.0,A2B8CD3_hR42_160_2a_2a2b_a_b:Li-O-Sn-V +mp-1177815,Li2V3SnO8,-7.7171901579,-2.3848583373,0.0451009889,0.0446960649,GGA+U,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Sn-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2ch_a_d:Li-O-Sn-V, expected Li2V3SnO10 to be Li2V3SnO8" +mp-776085,Li2V3SnO8,-7.7175742982,-2.3852424776,0.0447168486,0.0443119246,GGA+U,P6_3mc,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Sn-V,28.0,"Invalid WP multiplicities - A2B8CD3_hP28_186_a2b_a2b9c_b_c:Li-O-Sn-V, expected Li3V3SnO30 to be Li2V3SnO8" +mp-773041,Li2V3SnO8,-7.6568346241,-2.3245028035,0.1054565227,0.1050515987,GGA+U,P2_13,A2B8CD3_cP56_198_2a_2a2b_a_b:Li-O-Sn-V,56.0,"Invalid WP multiplicities - A2B8CD3_cP56_198_5a_8a13b_a_b:Li-O-Sn-V, expected Li5V3SnO47 to be Li2V3SnO8" +mp-774900,Li4V2Ni3Sn3O16,-6.79633957,-1.9992092632,0.0960449214,0.0960449214,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sn-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Ni-O-Sn-V, expected Li4V2Ni3Sn3O20 to be Li4V2Ni3Sn3O16" +mp-756056,Li5V5(NiO6)2,-7.4881975317,-2.2430024242,0.0619347335,0.0619347335,GGA+U,C2,A5B2C12D5_mC48_5_a2c_ab_6c_a2bc:Li-Ni-O-V,24.0,"Invalid WP multiplicities - A5B2C12D5_mC48_5_a4c_ab_6c_a2bc:Li-Ni-O-V, expected Li9V5(NiO6)2 to be Li5V5(NiO6)2" +mp-756454,Li3V4NiO12,-7.5940717025,-2.2339319977,0.0945822259,0.0945822259,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Ni-O-V,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Ni-O-V +mp-756571,Li3V4NiO12,-7.573984388499999,-2.2138446837,0.1146695399,0.1146695399,GGA+U,C2,A3BC12D4_mC40_5_a2b_a_6c_2c:Li-Ni-O-V,20.0,A3BC12D4_mC40_5_a2b_a_6c_2c:Li-Ni-O-V +mp-1177166,Li4V5Ni3O16,-7.4976257046,-2.1568167319,0.058263997,0.058263997,GGA+U,P1,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Ni-O-V,28.0,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Ni-O-V +mp-857284,Li5V3(NiO5)2,-3.823015756,1.0681588948,3.3221278614,3.3221278614,GGA+U,P-1,A5B2C10D3_aP20_2_b2i_i_5i_di:Li-Ni-O-V,20.0,"Invalid WP multiplicities - A5B2C10D3_aP20_2_b4i_i_9i_di:Li-Ni-O-V, expected Li9V3(NiO9)2 to be Li5V3(NiO5)2" +mp-755845,Li5V3(NiO5)2,-7.050592753,-2.1594181022,0.0945508644,0.0945508644,GGA+U,P-1,A5B2C10D3_aP20_2_b2i_i_5i_di:Li-Ni-O-V,20.0,"Invalid WP multiplicities - A5B2C10D3_aP20_2_b4i_i_9i_di:Li-Ni-O-V, expected Li9V3(NiO9)2 to be Li5V3(NiO5)2" +mp-1347973,Li5V3(NiO5)2,-5.598802869,-0.7076282182,1.5463407484,1.5463407484,GGA+U,P-1,A5B2C10D3_aP20_2_b2i_i_5i_ci:Li-Ni-O-V,20.0,"Invalid WP multiplicities - A5B2C10D3_aP20_2_b4i_i_9i_ci:Li-Ni-O-V, expected Li9V3(NiO9)2 to be Li5V3(NiO5)2" +mp-755724,Li3V2NiO6,-7.1763770083,-2.2301395344,0.0685313211,0.0685313211,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Ni-O-V,12.0,"Invalid WP multiplicities - A3BC6D2_mC24_12_ai_d_5i_i:Li-Ni-O-V, expected Li3V2NiO10 to be Li3V2NiO6" +mp-777449,Li4V5SnO12,-7.630670305,-2.3386222047,0.1149666531,0.1149666531,GGA+U,C2/m,A4B12CD5_mC44_12_j_2i2j_a_dgh:Li-O-Sn-V,22.0,"Invalid WP multiplicities - A4B12CD5_mC44_12_j_3i4j_a_cg2h:Li-O-Sn-V, expected Li4V7SnO22 to be Li4V5SnO12" +mp-1569466,LiV2NiO6,-7.591484325,-2.0377839296,0.1855740815,0.1855740815,GGA+U,P-1,ABC6D2_aP20_2_i_i_6i_2i:Li-Ni-O-V,20.0,"Invalid WP multiplicities - ABC6D2_aP20_2_i_i_9i_3i:Li-Ni-O-V, expected LiV3NiO9 to be LiV2NiO6" +mp-1565491,LiV2NiO6,-7.730705248,-2.1770048526,0.0463531585,0.0463531585,GGA+U,C2,ABC6D2_mC40_5_ab_ab_6c_2c:Li-Ni-O-V,20.0,"Invalid WP multiplicities - ABC6D2_mC40_5_ab_ab_10c_4c:Li-Ni-O-V, expected LiV4NiO10 to be LiV2NiO6" +mp-755467,LiV2NiO6,-7.67880605,-2.1251056546,0.0982523565,0.0982523565,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Li-Ni-O-V,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_11f_f:Li-Ni-O-V, expected LiV2NiO22 to be LiV2NiO6" +mp-2227265,MgV2(CoO4)2,-7.7600770831,-2.1017511238,0.0812694871,0.0812694871,GGA+U,Pm,A2BC8D2_mP13_6_c_a_2a2b2c_ab:Co-Mg-O-V,13.0,A2BC8D2_mP13_6_c_a_2a2b2c_ab:Co-Mg-O-V +mp-2219669,MgV2(CoO4)2,-7.8052027192,-2.14687676,0.036143851,0.036143851,GGA+U,C2/m,A2BC8D2_mC26_12_f_a_2ij_i:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_e_a_4i3j_i:Co-Mg-O-V, expected MgV2(CoO10)2 to be MgV2(CoO4)2" +mp-2219881,MgV2(CoO4)2,-7.5870598123,-1.9287338531,0.2542867579,0.2542867579,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_4ij_i:Co-Mg-O-V, expected MgV2(CoO6)2 to be MgV2(CoO4)2" +mp-2227952,MgV2(CoO4)2,-7.539059316899999,-1.8807333577,0.3022872533,0.3022872533,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_3i2j_i:Co-Mg-O-V, expected MgV2(CoO7)2 to be MgV2(CoO4)2" +mp-2219632,MgV2(CoO4)2,-7.5272531692,-1.86892721,0.314093401,0.314093401,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_2c2d2e_ab:Co-Mg-O-V, expected MgV2(CoO6)2 to be MgV2(CoO4)2" +mp-2240968,MgV2(CoO4)2,-7.7479544069,-2.0896284477,0.0933921633,0.0933921633,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_2c2d2e_ab:Co-Mg-O-V, expected MgV2(CoO6)2 to be MgV2(CoO4)2" +mp-2219599,MgV2(CoO4)2,-7.7442082069,-2.0858822477,0.0971383633,0.0971383633,GGA+U,Imm2,A2BC8D2_oI26_44_c_a_2c2d_ab:Co-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oI26_44_c_a_4c4d_ab:Co-Mg-O-V, expected MgV2(CoO8)2 to be MgV2(CoO4)2" +mp-1032299,Mg6VCoO8,-6.7649368219,-2.6794734559,0.0984668172,0.0984668172,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-V, expected Mg6VCoO12 to be Mg6VCoO8" +mp-1032336,Mg6VCoO8,-6.76363058,-2.6781672141,0.0997730591,0.0997730591,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-V, expected Mg6VCoO12 to be Mg6VCoO8" +mp-2219718,MgV3CoO8,-8.0524667623,-2.2421724742,0.1705350863,0.1705350863,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V +mp-2219639,MgV3CoO8,-8.0479900677,-2.2376957796,0.175011781,0.175011781,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V +mp-2233425,MgV3CoO8,-8.0422626562,-2.2319683681,0.1807391925,0.1807391925,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_aP13_1_a_a_8a_3a:Co-Mg-O-V +mp-2219453,MgV3CoO8,-8.0837958638,-2.2735015758,0.1392059848,0.1392059848,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V +mp-2218905,MgV3CoO8,-7.9949954162,-2.1847011281,0.2280064325,0.2280064325,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V +mp-2228141,MgV3CoO8,-8.00516105,-2.1948667619,0.2178407987,0.2178407987,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Co-Mg-O-V +mp-2217070,MgV2CoO6,-7.976315783,-2.3206615578,0.0707764854,0.0707764854,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V +mp-2217252,MgV2CoO6,-7.962288693,-2.3066344677,0.0848035754,0.0848035754,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V +mp-2217201,MgV2CoO6,-7.786011796,-2.1303575708,0.2610804724,0.2610804724,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Co-Mg-O-V +mp-2217239,MgV2CoO6,-7.989705422,-2.3340511968,0.0573868464,0.0573868464,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Co-Mg-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Co-Mg-O-V +mp-2217128,MgV2CoO6,-7.922158029,-2.2665038037,0.1249342394,0.1249342394,GGA+U,C2/m,ABC6D2_mC20_12_a_d_3i_i:Co-Mg-O-V,10.0,"Invalid WP multiplicities - ABC6D2_mC20_12_a_c_4i_i:Co-Mg-O-V, expected MgV2CoO8 to be MgV2CoO6" +mp-2231512,MgV5CoO12,-8.2985828079,-2.3255095063,0.1088032122,0.1088032122,GGA+U,P1,ABC12D5_aP19_1_a_a_12a_5a:Co-Mg-O-V,19.0,ABC12D5_aP19_1_a_a_12a_5a:Co-Mg-O-V +mp-2230399,MgV5CoO12,-8.3185582247,-2.3454849232,0.0888277954,0.0888277954,GGA+U,P1,ABC12D5_aP19_1_a_a_12a_5a:Co-Mg-O-V,19.0,ABC12D5_aP19_1_a_a_12a_5a:Co-Mg-O-V +mp-2231237,MgV4FeCoO12,-8.1674675932,-2.2267040211,0.0902921264,0.0902921264,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Fe-Mg-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Fe-Mg-O-V +mp-2230235,MgV4FeCoO12,-8.0074340089,-2.0666704368,0.2503257106,0.2503257106,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Fe-Mg-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Fe-Mg-O-V +mp-1042542,MgV2CoO7,-7.8772765231,-2.2860737082,0.0535477068,0.0535477068,GGA+U,P2_1/c,ABC7D2_mP88_14_2e_2e_14e_4e:Co-Mg-O-V,88.0,"Invalid WP multiplicities - ABC7D2_mP88_14_2e_3e_17e_7e:Co-Mg-O-V, expected Mg3V7Co2O17 to be MgV2CoO7" +mp-2230336,MgV4(CoO6)2,-8.0454052016,-2.1763102303,0.1025228325,0.1025228325,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-V,19.0,"Invalid WP multiplicities - A2BC12D4_mC38_5_ab_a_12c_4c:Co-Mg-O-V, expected MgV8(CoO12)2 to be MgV4(CoO6)2" +mp-2228343,MgV4(CoO6)2,-8.0455422568,-2.1764472855,0.1023857772,0.1023857772,GGA+U,C2,A2BC12D4_mC38_5_ab_a_6c_2c:Co-Mg-O-V,19.0,"Invalid WP multiplicities - A2BC12D4_mC38_5_ab_a_12c_4c:Co-Mg-O-V, expected MgV8(CoO12)2 to be MgV4(CoO6)2" +mp-1035122,Mg14VCoO16,-6.5473175925,-2.8678437192,0.048146567,0.048146567,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-V, expected Mg18VCoO20 to be Mg14VCoO16" +mp-1035073,Mg14VCoO16,-6.5355882672,-2.8561143939,0.0598758923,0.0598758923,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-V, expected Mg30VCoO32 to be Mg14VCoO16" +mp-1216396,VFeCoO4,-8.0569742329,-1.7071171014000002,0.2004849495,0.2004849495,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Co-Fe-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_2h2i_e:Co-Fe-O-V, expected VFeCoO8 to be VFeCoO4" +mp-1037257,Mg30VCoO32,-6.4299887678,-2.9535096409,0.031505652,0.031505652,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-V, expected Mg110VCoO72 to be Mg30VCoO32" +mp-1037188,Mg30VCoO32,-6.4406241397,-2.9641450127,0.0208702801,0.0208702801,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-V, expected Mg90VCoO80 to be Mg30VCoO32" +mp-756657,V4FeCoO12,-8.3424309217,-2.1605293761,0.0159145423,0.0159145423,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Co-Fe-O-V,18.0,ABC12D4_mC36_5_a_b_6c_2c:Co-Fe-O-V +mp-1222196,Mg2V2CoO8,-7.7125294081,-2.47789866,0.0,-0.008027386,GGA+U,Cmce,AB2C8D2_oC52_64_a_e_2fg_f:Co-Mg-O-V,26.0,AB2C8D2_oC52_64_a_e_2fg_f:Co-Mg-O-V +mp-5046,BeSO4,-6.9139473933,-2.3035111305,0.0,-0.2167415847,GGA,I-4,AB4C_tI12_82_a_g_c:Be-O-S,6.0,AB4C_tI12_82_a_g_c:Be-O-S +mp-627398,Be3Fe4Si3SO12,-7.944526555699999,-2.5153529936,0.0520337128,0.0520337128,GGA+U,R3c,A3B4C12DE3_hR138_161_b_ab_4b_a_b:Be-Fe-O-S-Si,46.0,"Invalid WP multiplicities - A3B4C12DE3_hR138_161_b_2a3b_19b_a_b:Be-Fe-O-S-Si, expected Be3Fe11Si3SO57 to be Be3Fe4Si3SO12" +mp-19309,Be3Fe4Si3SO12,-7.8218861272,-2.3927125651,0.1746741413,0.1746741413,GGA+U,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Fe-O-S-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Fe-O-S-Si +mp-732207,BeSO8,-5.383415954,-0.6384787118,0.7436279665000001,0.7436279665000001,GGA,I-4c2,AB8C_tI40_120_a_2i_d:Be-O-S,20.0,AB8C_tI40_120_a_2i_d:Be-O-S +mp-1188897,BeSO8,-5.2901937595,-0.5452565173,0.8368501610000001,0.8368501610000001,GGA,I-4c2,AB8C_tI40_120_b_2i_c:Be-O-S,20.0,AB8C_tI40_120_b_2i_c:Be-O-S +mp-1214245,BeSO8,-5.336238089,-0.5913008468000001,0.7908058315000001,0.7908058315000001,GGA,I-4c2,AB8C_tI40_120_b_2i_c:Be-O-S,20.0,AB8C_tI40_120_b_2i_c:Be-O-S +mp-1105736,BeSO8,-5.133313052,-0.3883758098,0.9937308685,0.9937308685,GGA,I4/mcm,AB8C_tI40_140_d_kl_c:Be-O-S,20.0,AB8C_tI40_140_d_kl_c:Be-O-S +mp-1223803,K6Zn4Sn5S17,-4.2634100981,-1.0737577502,0.0,-0.0053663372,GGA,C2,A6B17C5D4_mC64_5_3abc_a8c_b2c_2c:K-S-Sn-Zn,32.0,"Invalid WP multiplicities - A6B17C5D4_mC64_5_3abc_a13c_b3c_4c:K-S-Sn-Zn, expected K6Zn8Sn7S27 to be K6Zn4Sn5S17" +mp-641018,CsK5Zn4Sn5S17,-4.2716771081000005,-1.0887434032,0.0,-0.0187852721,GGA,I-4m2,AB5C17D5E4_tI64_119_c_ag_b2ij_di_i:Cs-K-S-Sn-Zn,32.0,"Invalid WP multiplicities - AB5C17D5E4_tI64_119_c_a2g_b5i5j_d2i_i:Cs-K-S-Sn-Zn, expected CsK9Zn4Sn9S61 to be CsK5Zn4Sn5S17" +mp-1224229,K10Zn4Sn4S17,-4.1190929369,-1.1904958207,0.0,-0.0170373051,GGA,R3m,A10B17C4D4_hR105_160_a3b_2a3bc_ab_ab:K-S-Sn-Zn,35.0,"Invalid WP multiplicities - A10B17C4D4_hR105_160_a3b_2a5b3c_ab_ab:K-S-Sn-Zn, expected K10Zn4Sn4S35 to be K10Zn4Sn4S17" +mp-761188,LiV3(CoO6)2,-7.5378921179,-1.83025094,0.0952593967,0.0952593967,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Co-Li-O-V,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_3e_e_43e_11e:Co-Li-O-V, expected LiV11Co3O43 to be LiV3(CoO6)2" +mp-758263,Li2VCoO5,-7.0216179994,-2.0501165378,0.0873692009,0.0873692009,GGA+U,P4/nmm,AB2C5D_tP18_129_a_e_ci_c:Co-Li-O-V,18.0,"Invalid WP multiplicities - AB2C5D_tP18_129_a_e_2c3i_c:Co-Li-O-V, expected Li2VCoO14 to be Li2VCoO5" +mp-774950,Li2V3CoO8,-7.8363986954,-2.282727879,0.1450128604,0.052515705,GGA+U,P1,AB2C8D3_aP56_1_4a_8a_32a_12a:Co-Li-O-V,56.0,AB2C8D3_aP56_1_4a_8a_32a_12a:Co-Li-O-V +mp-1292553,Li2V3CoO8,-7.8462585286,-2.2925877123,0.1351530271,0.0426558718,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V,28.0,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V +mp-1291670,Li2V3CoO8,-7.8307369879,-2.2770661715,0.1506745679,0.0581774125,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V,28.0,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V +mp-1291671,Li2V3CoO8,-7.9814115557,-2.4277407394,0.0,-0.0924971554,GGA+U,P1,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V,28.0,AB2C8D3_aP28_1_2a_4a_16a_6a:Co-Li-O-V +mp-1273535,Li2V3CoO8,-7.843574925,-2.2899041087,0.1378366307,0.0453394754,GGA+U,P-1,AB2C8D3_aP28_2_i_2i_8i_abcefh:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_aP28_2_i_3i_14i_abcefh:Co-Li-O-V, expected Li3V3CoO14 to be Li2V3CoO8" +mp-1307640,Li2V3CoO8,-7.8346575843,-2.280986768,0.1467539714,0.0542568161,GGA+U,P-1,AB2C8D3_aP28_2_bc_2i_8i_aefgi:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_aP28_2_ac_4i_16i_bcde2i:Co-Li-O-V, expected Li4V4CoO16 to be Li2V3CoO8" +mp-756121,Li2V3CoO8,-7.760240065,-2.2065692487,0.2211714907,0.1286743354,GGA+U,Cm,AB2C8D3_mC28_8_a_2a_8a_3a:Co-Li-O-V,14.0,AB2C8D3_mC28_8_a_2a_8a_3a:Co-Li-O-V +mp-1301441,Li2V3CoO8,-7.8743687536,-2.3206979373,0.1070428021,0.0145456468,GGA+U,Cc,AB2C8D3_mC56_9_a_2a_8a_3a:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_9_a_2a_12a_5a:Co-Li-O-V, expected Li2V5CoO12 to be Li2V3CoO8" +mp-1275546,Li2V3CoO8,-7.8357296339,-2.2820588176,0.1456819218,0.0531847664,GGA+U,C2/m,AB2C8D3_mC28_12_a_i_2ij_ce:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC28_12_c_i_3i3j_2a2e:Co-Li-O-V, expected Li2V6CoO18 to be Li2V3CoO8" +mp-1301970,Li2V3CoO8,-7.85389279,-2.3002219737000003,0.1275187657,0.0350216104,GGA+U,P2/c,AB2C8D3_mP28_13_e_g_4g_acf:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_aP28_2_i_3i_14i_2abei:Co-Li-O-V, expected Li3V3CoO14 to be Li2V3CoO8" +mp-1305934,Li2V3CoO8,-7.8345321279,-2.2808613115,0.1468794279,0.0543822725,GGA+U,C2/c,AB2C8D3_mC56_15_c_f_4f_abe:Co-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_aP28_2_ac_4i_16i_b2dg2i:Co-Li-O-V, expected Li4V4CoO16 to be Li2V3CoO8" +mp-757296,Li2V3CoO8,-7.8827175646,-2.3290467483,0.0986939911,0.0061968357,GGA+U,R3,AB2C8D3_hR168_146_ab_2a2b_2a10b_4b:Co-Li-O-V,56.0,AB2C8D3_aP56_1_4a_8a_32a_12a:Co-Li-O-V +mp-1280692,Li2V3CoO8,-7.8771607861,-2.3234899698,0.1042507696,0.0117536143,GGA+U,R3,AB2C8D3_hR42_146_a_2a_2a2b_b:Co-Li-O-V,28.0,AB2C8D3_hR42_146_a_2a_2a2b_b:Co-Li-O-V +mp-757605,Li2V3CoO8,-7.8697482279,-2.3160774115,0.1116633279,0.0191661725,GGA+U,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Co-Li-O-V,14.0,AB2C8D3_hR42_160_a_2a_2a2b_b:Co-Li-O-V +mp-752608,Li2V3CoO8,-7.813399895,-2.2597290787,0.1680116607,0.0755145054,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Co-Li-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c3h_d:Co-Li-O-V, expected Li2V3CoO22 to be Li2V3CoO8" +mp-1177869,Li2V3CoO8,-7.88618152,-2.3325107037,0.0952300357,0.0027328804,GGA+U,P2_13,AB2C8D3_cP56_198_a_2a_2a2b_b:Co-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_198_a_5a_8a13b_b:Co-Li-O-V, expected Li5V3CoO47 to be Li2V3CoO8" +mp-773321,Li2V3CoO8,-7.8043744448,-2.2507036285,0.1770371109,0.0845399555,GGA+U,P4_332,AB2C8D3_cP56_212_a_c_ce_d:Co-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_cP56_212_a_c_8c9e_d:Co-Li-O-V, expected Li2V3CoO70 to be Li2V3CoO8" +mp-753470,Li4VCo3O8,-6.7760639969,-1.9249352086,0.0861523391,0.0861523391,GGA+U,P1,A3B4C8D_aP16_1_3a_4a_8a_a:Co-Li-O-V,16.0,A3B4C8D_aP16_1_3a_4a_8a_a:Co-Li-O-V +mp-754294,Li2VCo3O8,-7.0759026336,-1.8044587137,0.0202037802,0.0202037802,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Co-Li-O-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Co-Li-O-V, expected Li2VCo3O22 to be Li2VCo3O8" +mp-757835,Li2VCo3O8,-7.0530798368,-1.7816359169,0.0430265769,0.0430265769,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Co-Li-O-V,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Co-Li-O-V, expected Li3V(CoO10)3 to be Li2VCo3O8" +mp-755938,Li5V5(CoO6)2,-7.5558903071,-2.2000134401,0.1308913085,0.1308913085,GGA+U,C2,A2B5C12D5_mC48_5_ab_a2c_6c_a2bc:Co-Li-O-V,24.0,"Invalid WP multiplicities - A2B5C12D5_mC48_5_ab_a4c_6c_a2bc:Co-Li-O-V, expected Li9V5(CoO6)2 to be Li5V5(CoO6)2" +mp-1177160,Li4V5Co3O16,-7.6557252407,-2.1726111485,0.1064980789,0.1064980789,GGA+U,P1,A3B4C16D5_aP28_1_3a_4a_16a_5a:Co-Li-O-V,28.0,A3B4C16D5_aP28_1_3a_4a_16a_5a:Co-Li-O-V +mp-776751,Li4V5Co3O16,-7.6542180279,-2.1711039357,0.1080052918,0.1080052918,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Co-Li-O-V,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Co-Li-O-V, expected Li4V7Co3O20 to be Li4V5Co3O16" +mp-796986,Li5V3(CoO5)2,-3.9836639855,1.0403287768,3.3355931249,3.3355931249,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_di:Co-Li-O-V,20.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b4i_9i_di:Co-Li-O-V, expected Li9V3(CoO9)2 to be Li5V3(CoO5)2" +mp-757281,Li5V3(CoO5)2,-7.1783749195,-2.1543821572,0.1408821909,0.1408821909,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_di:Co-Li-O-V,20.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b4i_9i_di:Co-Li-O-V, expected Li9V3(CoO9)2 to be Li5V3(CoO5)2" +mp-1371261,Li5V3(CoO5)2,-5.691506603,-0.6675138407,1.6277505074,1.6277505074,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_ci:Co-Li-O-V,20.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b4i_9i_ci:Co-Li-O-V, expected Li9V3(CoO9)2 to be Li5V3(CoO5)2" +mp-754313,LiV3CoO10,-7.7273015413,-2.0115784757,0.0827044955,0.0827044955,GGA+U,C2,ABC10D3_mC30_5_a_b_5c_ac:Co-Li-O-V,15.0,"Invalid WP multiplicities - ABC10D3_mC30_5_a_b_8c_ac:Co-Li-O-V, expected LiV3CoO16 to be LiV3CoO10" +mp-1177534,Li3V3CoO8,-7.582549496,-2.2718618763,0.1272298872,0.1272298872,GGA+U,C2/m,AB3C8D3_mC30_12_a_cf_2ij_be:Co-Li-O-V,15.0,"Invalid WP multiplicities - AB3C8D3_aP15_2_c_bfg_8i_ade:Co-Li-O-V, expected Li3V3CoO16 to be Li3V3CoO8" +mp-773242,Li3V3CoO8,-7.5821213053,-2.2714336857,0.1276580779,0.1276580779,GGA+U,R-3,AB3C8D3_hR45_148_a_d_cf_e:Co-Li-O-V,15.0,"Invalid WP multiplicities - AB3C8D3_aP15_2_a_bfg_8i_cde:Co-Li-O-V, expected Li3V3CoO16 to be Li3V3CoO8" +mp-756700,Li3V3CoO8,-7.5793454287,-2.268657809,0.1304339546,0.1304339546,GGA+U,R-3m,AB3C8D3_hR45_166_a_d_ch_e:Co-Li-O-V,15.0,"Invalid WP multiplicities - AB3C8D3_mC30_12_b_c2e_4i3j_a2f:Co-Li-O-V, expected Li5V5CoO20 to be Li3V3CoO8" +mp-761801,LiV2CoO6,-7.780325684,-2.0938071771,0.1763254573,0.1763254573,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Co-Li-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Co-Li-O-V +mp-1388676,LiV2CoO6,-2.073965411,3.6125530959,5.8826857303,5.8826857303,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Co-Li-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Co-Li-O-V +mp-755989,V4CoNiO12,-8.1468814511,-2.114417935,0.0002196019,0.0002196019,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Co-Ni-O-V,18.0,ABC12D4_mC36_5_a_b_6c_2c:Co-Ni-O-V +mp-754522,LiVCoO4,-7.5015072014,-2.0889498333,0.0415278822,0.0415278822,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c3d_c:Co-Li-O-V, expected LiVCoO11 to be LiVCoO4" +mp-753151,LiVCoO4,-7.5360171993,-2.1234598312,0.0070178843,0.0070178843,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-V,14.0,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-V +mp-753926,LiVCoO4,-7.5376865521,-2.125129184,0.0053485315,0.0053485315,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Co-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Co-Li-O-V +mp-753959,LiVCoO4,-7.3457238743,-1.9331665062,0.1973112093,0.1973112093,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Co-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_h2i_c:Co-Li-O-V, expected LiVCoO6 to be LiVCoO4" +mp-757842,LiVCoO4,-7.511686562099999,-2.099129194,0.0313485215,0.0313485215,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-V,28.0,ABC4D_tP28_95_c_a_2d_b:Co-Li-O-V +mp-774919,Li3V3(CoO6)2,-7.3832396839,-2.0554703371,0.0804565553,0.0804565553,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Co-Li-O-V,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_43e_11e:Co-Li-O-V, expected Li9V11Co3O43 to be Li3V3(CoO6)2" +mp-771711,Li4V3CoO8,-7.3469859763,-2.2489086536,0.125115256,0.125115256,GGA+U,C2/m,AB4C8D3_mC32_12_a_cdf_2ij_be:Co-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_mC32_12_a_cd2e_4i3j_b2f:Co-Li-O-V, expected Li6V5CoO20 to be Li4V3CoO8" +mp-771356,Li4V3CoO8,-7.38649371,-2.2884163874,0.0856075223,0.0856075223,GGA+U,R-3m,AB4C8D3_hR48_166_a_bd_ch_e:Co-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_hR48_166_a_bd_2c2h_e:Co-Li-O-V, expected Li4V3CoO16 to be Li4V3CoO8" +mp-755050,Li5V2Co3O10,-6.9493870365,-2.024173688,0.1225872845,0.1225872845,GGA+U,P-1,A3B5C10D2_aP20_2_bi_d2i_5i_i:Co-Li-O-V,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_d4i_9i_i:Co-Li-O-V, expected Li9V2(CoO6)3 to be Li5V2Co3O10" +mp-1339913,Li5V2Co3O10,-5.288548781,-0.3633354325,1.78342554,1.78342554,GGA+U,P-1,A3B5C10D2_aP20_2_bi_e2i_5i_i:Co-Li-O-V,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_e4i_9i_i:Co-Li-O-V, expected Li9V2(CoO6)3 to be Li5V2Co3O10" +mp-759134,Li4V3CoO10,-7.3449563472,-2.2636999814,0.110098768,0.110098768,GGA+U,C2,AB4C10D3_mC36_5_a_2bc_5c_ac:Co-Li-O-V,18.0,"Invalid WP multiplicities - AB4C10D3_mC36_5_a_2b2c_8c_a2c:Co-Li-O-V, expected Li6V5CoO16 to be Li4V3CoO10" +mp-756385,Li3V(CoO2)4,-6.9746317606,-1.7985407894,0.095658285,0.095658285,GGA+U,C2/m,A4B3C8D_mC32_12_ade_cf_2ij_b:Co-Li-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_c2f_3i2j_b:Co-Li-O-V, expected Li5V(Co2O7)2 to be Li3V(CoO2)4" +mp-1177804,Li2VCoO4,-7.1227098292,-2.1481067738,0.0729058865,0.0729058865,GGA+U,P1,AB2C4D_aP24_1_3a_6a_12a_3a:Co-Li-O-V,24.0,AB2C4D_aP24_1_3a_6a_12a_3a:Co-Li-O-V +mp-755830,Li2VCoO4,-7.1306782975,-2.1560752421,0.0649374182,0.0649374182,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Co-Li-O-V,24.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_6i_12i_ci:Co-Li-O-V, expected Li4VCoO8 to be Li2VCoO4" +mp-773359,Li2VCoO4,-7.1291487538,-2.1545456983,0.066466962,0.066466962,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Co-Li-O-V,16.0,AB2C4D_oI32_74_a_bc_hi_d:Co-Li-O-V +mp-761141,Li11V12(CoO8)4,-7.6229401517,-2.2545955023,0.1512943233,0.1512943233,GGA+U,C2,A4B11C32D12_mC118_5_abc_2ab4c_16c_ab5c:Co-Li-O-V,59.0,"Invalid WP multiplicities - A4B11C32D12_mC118_5_ab2c_2ab8c_30c_ab9c:Co-Li-O-V, expected Li19V20(CoO10)6 to be Li11V12(CoO8)4" +mp-758110,Li4V2Co3Ni3O16,-6.8276836736,-1.6985448732,0.0816811366,0.0816811366,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-V, expected Li4V2Co3Ni3O20 to be Li4V2Co3Ni3O16" +mp-756363,Li2V2CoO6,-7.5260114655,-2.182910744,0.1696561484,0.1696561484,GGA+U,Cmce,AB2C6D2_oC44_64_a_e_fg_d:Co-Li-O-V,22.0,"Invalid WP multiplicities - AB2C6D2_oC44_64_a_e_2f3g_d:Co-Li-O-V, expected Li2V2CoO16 to be Li2V2CoO6" +mp-755221,Li2V5CoO12,-8.0754539025,-2.2901559818,0.153599704,0.153599704,GGA+U,C2,AB2C12D5_mC40_5_a_ab_6c_b2c:Co-Li-O-V,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_5_a_ab_12c_b4c:Co-Li-O-V, expected Li2V9CoO24 to be Li2V5CoO12" +mp-756859,Li3V2CoO6,-7.0293918058,-1.9724725723,0.3614202443,0.3614202443,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Co-Li-O-V,12.0,"Invalid WP multiplicities - AB3C6D2_mC24_12_a_di_5i_i:Co-Li-O-V, expected Li3V2CoO10 to be Li3V2CoO6" +mp-771251,Li5V2Co5O12,-6.75669831,-1.6477699774,0.355366959,0.355366959,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Co-Li-O-V,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Co-Li-O-V, expected Li9V2Co5O12 to be Li5V2Co5O12" +mp-760000,Li4Ti5VO12,-8.2531070306,-3.0005014781,0.0781333684,0.0781333684,GGA+U,P-1,A4B12C5D_aP66_2_6i_18i_b7i_ei:Li-O-Ti-V,66.0,"Invalid WP multiplicities - A4B12C5D_aP66_2_11i_35i_b12i_ei:Li-O-Ti-V, expected Li22Ti25V3O70 to be Li4Ti5VO12" +mp-755728,Li4Ti5VO12,-8.2286072173,-2.9760016648,0.1026331818,0.1026331818,GGA+U,C2/m,A4B12C5D_mC44_12_j_2i2j_agh_d:Li-O-Ti-V,22.0,"Invalid WP multiplicities - A4B12C5D_mC44_12_j_4i5j_a2gh_c:Li-O-Ti-V, expected Li4Ti7VO28 to be Li4Ti5VO12" +mp-753565,LiTi4VO8,-8.7659212,-2.8981850076,0.2270967718,0.2270967718,GGA+U,P-1,AB8C4D_aP14_2_c_4i_bdeh_a:Li-O-Ti-V,14.0,"Invalid WP multiplicities - AB8C4D_aP14_2_b_7i_cdfh_a:Li-O-Ti-V, expected LiTi4VO14 to be LiTi4VO8" +mp-1396229,LiTi4VO8,-4.6564597221,1.2112764702,4.3365582496,4.3365582496,GGA+U,P-1,AB8C4D_aP14_2_c_4i_bdeh_a:Li-O-Ti-V,14.0,"Invalid WP multiplicities - AB8C4D_aP14_2_b_7i_cdfh_a:Li-O-Ti-V, expected LiTi4VO14 to be LiTi4VO8" +mp-800301,Li4TiV3O8,-7.5972562444,-2.4499805329,0.182334749,0.182334749,GGA+U,P1,A4B8CD3_aP16_1_4a_8a_a_3a:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A4B8CD3_aP16_2_acde_7i_b_fgh:Li-O-Ti-V, expected Li4TiV3O14 to be Li4TiV3O8" +mp-760975,Li4TiV3O8,-7.740004585,-2.5927288735,0.0395864084,0.0395864084,GGA+U,C2,A4B8CD3_mC32_5_2bc_4c_a_ac:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A4B8CD3_hR48_166_ae_c2h_b_d:Li-O-Ti-V, expected Li4TiV3O14 to be Li4TiV3O8" +mp-764005,Li4TiV3O8,-7.7593626244,-2.6120869129,0.020228369,0.020228369,GGA+U,C2/m,A4B8CD3_mC32_12_abe_2ij_c_df:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A4B8CD3_mC32_12_abf_3i2j_c_de:Li-O-Ti-V, expected Li4TiV3O14 to be Li4TiV3O8" +mp-756178,LiTiVO5,-8.2017374819,-2.7490169182,0.082974365,0.082974365,GGA+U,Cmme,AB5CD_oC32_67_c_go_b_g:Li-O-Ti-V,16.0,"Invalid WP multiplicities - AB5CD_oC32_67_c_2g3o_b_g:Li-O-Ti-V, expected LiTiVO14 to be LiTiVO5" +mp-772522,Li5V5(FeO6)2,-7.7455494112,-2.2761972597,0.0495096535,0.0495096535,GGA+U,C2,A2B5C12D5_mC48_5_ab_a2c_6c_a2bc:Fe-Li-O-V,24.0,"Invalid WP multiplicities - A2B5C12D5_mC48_5_ab_a4c_6c_a2bc:Fe-Li-O-V, expected Li9V5(FeO6)2 to be Li5V5(FeO6)2" +mp-753566,Li2Ti4VO8,-8.5301490767,-2.9263337727,0.10414115,0.10414115,GGA+U,C2/m,A2B8C4D_mC30_12_e_2ij_bcf_a:Li-O-Ti-V,15.0,"Invalid WP multiplicities - A2B8C4D_mC30_12_f_4i3j_ace_b:Li-O-Ti-V, expected Li2Ti4VO20 to be Li2Ti4VO8" +mp-756960,Li3V(FeO3)2,-7.1818717533,-2.0626343069,0.1003384667,0.1003384667,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Fe-Li-O-V,12.0,"Invalid WP multiplicities - A2B3C6D_mC24_12_i_ai_5i_d:Fe-Li-O-V, expected Li3V(FeO5)2 to be Li3V(FeO3)2" +mp-761106,Li3V(FeO3)2,-7.1993171133,-2.0800796669,0.0828931067,0.0828931067,GGA+U,Cmc2_1,A2B3C6D_oC48_36_b_ab_2a2b_a:Fe-Li-O-V,24.0,"Invalid WP multiplicities - A2B3C6D_oC48_36_b_ab_2a5b_a:Fe-Li-O-V, expected Li3V(FeO6)2 to be Li3V(FeO3)2" +mp-753930,Li2VFeO5,-7.3058428628,-2.1830410217,0.0799422681,0.0799422681,GGA+U,P4/nmm,AB2C5D_tP18_129_a_e_ci_c:Fe-Li-O-V,18.0,"Invalid WP multiplicities - AB2C5D_tP18_129_a_e_2c3i_c:Fe-Li-O-V, expected Li2VFeO14 to be Li2VFeO5" +mp-757803,LiTi2V3O12,-8.5328431851,-2.7377382049,0.016803596,0.016803596,GGA+U,P1,AB12C2D3_aP72_1_4a_48a_8a_12a:Li-O-Ti-V,72.0,AB12C2D3_aP72_1_4a_48a_8a_12a:Li-O-Ti-V +mp-764774,LiTi2V3O12,-8.5430018671,-2.7478968868,0.006644914,0.006644914,GGA+U,P2_1/c,AB12C2D3_mP72_14_e_12e_2e_3e:Li-O-Ti-V,72.0,"Invalid WP multiplicities - AB12C2D3_mP72_14_e_43e_3e_11e:Li-O-Ti-V, expected LiTi3V11O43 to be LiTi2V3O12" +mp-801566,Li4V3FeO8,-7.3803790825,-2.1971952965,0.1729302367,0.1729302367,GGA+U,P-1,AB4C8D3_aP16_2_a_bfgh_4i_cde:Fe-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_aP16_2_a_bfgh_7i_cde:Fe-Li-O-V, expected Li4V3FeO14 to be Li4V3FeO8" +mp-765701,Li4V3FeO8,-7.5149034388,-2.3317196527,0.0384058805,0.0384058805,GGA+U,R-3m,AB4C8D3_hR48_166_a_bd_ch_e:Fe-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_hR48_166_a_bd_2c3h_e:Fe-Li-O-V, expected Li4V3FeO22 to be Li4V3FeO8" +mp-776768,Li4V5Fe3O16,-7.8731231761,-2.2441122894,0.0523706545,0.0523706545,GGA+U,P1,A3B4C16D5_aP28_1_3a_4a_16a_5a:Fe-Li-O-V,28.0,A3B4C16D5_aP28_1_3a_4a_16a_5a:Fe-Li-O-V +mp-754301,Li5Ti2V5O12,-7.9998811579,-2.5784064391,0.0396523171,0.0396523171,GGA+U,C2,A5B12C2D5_mC48_5_a2c_6c_ab_a2bc:Li-O-Ti-V,24.0,"Invalid WP multiplicities - A5B12C2D5_mC48_5_a4c_6c_ab_a2bc:Li-O-Ti-V, expected Li9Ti2V5O12 to be Li5Ti2V5O12" +mp-1177479,Li3V4FeO12,-7.8041533125,-2.3095193812,0.0637445674,0.0637445674,GGA+U,P1,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-V,20.0,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-V +mp-1568159,Li3V4FeO12,-7.817186471,-2.3225525398,0.0507114089,0.0507114089,GGA+U,P1,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-V,20.0,AB3C12D4_aP20_1_a_3a_12a_4a:Fe-Li-O-V +mp-774648,Li3V4FeO12,-7.8129060265,-2.3182720953,0.0549918534,0.0549918534,GGA+U,C2,AB3C12D4_mC80_5_c_2a2bc_12c_4c:Fe-Li-O-V,40.0,"Invalid WP multiplicities - AB3C12D4_mC80_5_c_2a2bc_21c_8c:Fe-Li-O-V, expected Li3V8FeO21 to be Li3V4FeO12" +mp-1666404,Li3V4FeO12,-7.828384908,-2.3337509768,0.0395129719,0.0395129719,GGA+U,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Fe-Li-O-V,20.0,AB3C12D4_mC40_5_a_a2b_6c_2c:Fe-Li-O-V +mp-758896,Li4Ti2V3O10,-8.0103749289,-2.7395706751,0.0423104508,0.0423104508,GGA+U,P-1,A4B10C2D3_aP38_2_4i_10i_2i_ae2i:Li-O-Ti-V,38.0,"Invalid WP multiplicities - A4B10C2D3_aP38_2_6i_16i_2i_ae2i:Li-O-Ti-V, expected Li6Ti2V3O16 to be Li4Ti2V3O10" +mp-1177271,Li4Ti3V6O18,-8.3640865345,-2.7232478010000003,0.0821037909,0.0821037909,GGA+U,Pmc2_1,A4B18C3D6_oP62_26_4a_8a10b_2ab_3a3b:Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B18C3D6_oP62_26_6a_14a20b_3ab_6a4b:Li-O-Ti-V, expected Li3Ti2V5O17 to be Li4Ti3V6O18" +mp-759236,Li4Ti2V5O12,-8.1854897987,-2.6112954341,0.0577510349,0.0577510349,GGA+U,P2_1,A4B12C2D5_mP46_4_4a_12a_2a_5a:Li-O-Ti-V,46.0,"Invalid WP multiplicities - A4B12C2D5_mP46_4_8a_24a_3a_10a:Li-O-Ti-V, expected Li8Ti3V10O24 to be Li4Ti2V5O12" +mp-1278326,Li2TiVO4,-7.81559568,-2.7425958469,0.027617528,0.027617528,GGA+U,P1,A2B4CD_aP32_1_8a_16a_4a_4a:Li-O-Ti-V,32.0,A2B4CD_aP32_1_8a_16a_4a_4a:Li-O-Ti-V +mp-757075,Li2TiVO4,-7.8254866542,-2.752486821,0.0177265538,0.0177265538,GGA+U,P-1,A2B4CD_aP24_2_3i_6i_ai_ci:Li-O-Ti-V,24.0,"Invalid WP multiplicities - A2B4CD_aP24_2_6i_12i_ai_ci:Li-O-Ti-V, expected Li4TiVO8 to be Li2TiVO4" +mp-763993,Li2TiVO4,-7.8152188208,-2.7422189877000003,0.0279943871,0.0279943871,GGA+U,P-1,A2B4CD_aP24_2_ah2i_6i_ci_fi:Li-O-Ti-V,24.0,"Invalid WP multiplicities - A2B4CD_aP24_2_ah4i_11i_ci_fi:Li-O-Ti-V, expected Li10Ti3V3O22 to be Li2TiVO4" +mp-1314918,Li2TiVO4,-7.8204072456,-2.7474074125,0.0228059623,0.0228059623,GGA+U,C2,A2B4CD_mC64_5_4c_8c_2c_2c:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_mC64_5_8c_14c_4c_2c:Li-O-Ti-V, expected Li4Ti2VO7 to be Li2TiVO4" +mp-1288258,Li2TiVO4,-7.8088166706,-2.7358168375,0.0343965373,0.0343965373,GGA+U,Cm,A2B4CD_mC32_8_4a_8a_2a_2a:Li-O-Ti-V,32.0,A2B4CD_tI16_119_ac_ef_b_d:Li-O-Ti-V +mp-759813,Li2TiVO4,-7.8244049278,-2.7514050947,0.0188082802,0.0188082802,GGA+U,P2/m,A2B4CD_mP8_10_bd_mn_c_h:Li-O-Ti-V,32.0,A2B4CD_mP8_10_bg_mn_c_e:Li-O-Ti-V +mp-1278198,Li2TiVO4,-7.8190291522,-2.7460293191,0.0241840558,0.0241840558,GGA+U,C2/m,A2B4CD_mC64_12_e2gi_2i3j_fi_2h:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_mC64_12_e2h2i_4i6j_2fi_2g:Li-O-Ti-V, expected Li5Ti3V2O16 to be Li2TiVO4" +mp-1299584,Li2TiVO4,-7.82053228,-2.7475324469,0.022680928,0.022680928,GGA+U,C2/m,A2B4CD_mC64_12_adefi_4i2j_j_bci:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_mC64_8_4a4b_8a8b_4b_4a:Li-O-Ti-V, expected Li3Ti2VO6 to be Li2TiVO4" +mp-1288887,Li2TiVO4,-7.8190848969,-2.7460850638,0.0241283111,0.0241283111,GGA+U,C2/m,A2B4CD_mC64_12_abgj_2i3j_fi_2h:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_mC64_12_abgj_4i10j_2ei_2h:Li-O-Ti-V, expected Li4Ti3V2O24 to be Li2TiVO4" +mp-1281672,Li2TiVO4,-7.8135794906,-2.7405796575,0.0296337173,0.0296337173,GGA+U,C222,A2B4CD_oC64_21_adj2k_ef3l_2k_bci:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_oC64_21_ad2j2k_2e2f8l_2k_bc2i:Li-O-Ti-V, expected Li5Ti2V3O20 to be Li2TiVO4" +mp-1274020,Li2TiVO4,-7.8156506575,-2.7426508244,0.0275625505,0.0275625505,GGA+U,I222,A2B4CD_oI64_23_abfk_gh3k_k_cde:Li-O-Ti-V,32.0,"Invalid WP multiplicities - A2B4CD_oI64_23_abfk_2g2h10k_k_cde:Li-O-Ti-V, expected Li2TiVO12 to be Li2TiVO4" +mp-756796,Li2TiVO4,-7.8242928494,-2.7512930163,0.0189203586,0.0189203586,GGA+U,Imma,A2B4CD_oI32_74_ac_hi_b_d:Li-O-Ti-V,32.0,A2B4CD_oI32_74_ac_hi_b_d:Li-O-Ti-V +mp-755702,Li2TiVO4,-7.8117412475,-2.7387414144,0.0314719605,0.0314719605,GGA+U,I-4m2,A2B4CD_tI16_119_ac_ef_b_d:Li-O-Ti-V,16.0,A2B4CD_tI16_119_ac_ef_b_d:Li-O-Ti-V +mp-1283290,Li2TiVO4,-7.8174671703,-2.7444673372,0.0257460377,0.0257460377,GGA+U,I-42m,A2B4CD_tI64_121_cei_2eh2i_i_abd:Li-O-Ti-V,32.0,A2B4CD_tI16_119_ac_ef_b_d:Li-O-Ti-V +mp-754484,Li4TiV3O10,-7.7528086947,-2.6278204277,0.0479622288,0.0479622288,GGA+U,P-4m2,A4B10CD3_tP18_115_i_gjk_a_bg:Li-O-Ti-V,36.0,A4B10CD3_tP18_115_i_gjk_a_bg:Li-O-Ti-V +mp-767675,Li4Ti4V(Fe2O9)2,-8.0682492616,-2.544957415,0.0920593099,0.0920593099,GGA+U,Pbam,A4B4C18D4E_oP62_55_gh_2g_4g5h_gh_a:Fe-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D4E_oP62_55_3g2h_5g_12g20h_3g2h_a:Fe-Li-O-Ti-V, expected Li10Ti10V(Fe5O32)2 to be Li4Ti4V(Fe2O9)2" +mp-754706,Li3TiV4O8,-8.0790820438,-2.4833698821,0.0586115648,0.0586115648,GGA+U,C2/m,A3B8CD4_mC32_12_ae_2ij_d_bcf:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A3B8CD4_mC32_12_af_4i2j_d_bce:Li-O-Ti-V, expected Li3TiV4O16 to be Li3TiV4O8" +mp-776146,Li2V3FeO8,-8.0062927459,-2.3553573999,0.015393671,0.015393671,GGA+U,P2_1,AB2C8D3_mP56_4_2a_4a_16a_6a:Fe-Li-O-V,56.0,AB2C8D3_mP56_4_4a_8a_32a_12a:Fe-Li-O-V +mp-756697,Li2V3FeO8,-7.9076934071,-2.2567580612,0.1139930098,0.1139930098,GGA+U,Cm,AB2C8D3_mC28_8_a_2a_8a_3a:Fe-Li-O-V,14.0,AB2C8D3_mC28_8_a_2a_8a_3a:Fe-Li-O-V +mp-1177821,Li2V3FeO8,-7.9864361843,-2.3355008383,0.0352502326,0.0352502326,GGA+U,Cc,AB2C8D3_mC56_9_a_2a_8a_3a:Fe-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_9_a_3a_14a_5a:Fe-Li-O-V, expected Li3V5FeO14 to be Li2V3FeO8" +mp-775524,Li2V3FeO8,-7.9868007589,-2.335865413,0.034885658,0.034885658,GGA+U,Cmc2_1,AB2C8D3_oC56_36_a_2a_4a2b_ab:Fe-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_oC56_36_a_3a_6a6b_a2b:Fe-Li-O-V, expected Li3V5FeO18 to be Li2V3FeO8" +mp-773482,Li2V3FeO8,-7.9978400827,-2.3469047367,0.0238463342,0.0238463342,GGA+U,P4_3,AB2C8D3_tP56_78_a_2a_8a_3a:Fe-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_tP56_78_a_8a_32a_12a:Fe-Li-O-V, expected Li8V12FeO32 to be Li2V3FeO8" +mp-775461,Li2V3FeO8,-7.9957433702,-2.3448080242,0.0259430467,0.0259430467,GGA+U,P4_32_12,AB2C8D3_tP56_96_a_b_4b_ab:Fe-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_tP56_96_a_b_25b_4a5b:Fe-Li-O-V, expected Li2V14FeO50 to be Li2V3FeO8" +mp-773045,Li2V3FeO8,-7.951799185,-2.300863839,0.0698872319,0.0698872319,GGA+U,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Fe-Li-O-V,14.0,AB2C8D3_hR42_160_a_2a_2a2b_b:Fe-Li-O-V +mp-756321,Li2V3FeO8,-7.9567093921,-2.3057740462,0.0649770248,0.0649770248,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Fe-Li-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2ch_d:Fe-Li-O-V, expected Li2V3FeO10 to be Li2V3FeO8" +mp-774668,Li2V3FeO8,-7.9508278821,-2.2998925362,0.0708585348,0.0708585348,GGA+U,P6_3mc,AB2C8D3_hP28_186_b_ab_ab2c_c:Fe-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_hP28_186_b_a2b_a2b9c_c:Fe-Li-O-V, expected Li3V3FeO30 to be Li2V3FeO8" +mp-1276468,Li2TiV2O6,-8.1508731623,-2.736211148,0.0430705474,0.0430705474,GGA+U,P2_1/m,A2B6CD2_mP22_11_2e_6e_e_2e:Li-O-Ti-V,22.0,A2B6CD2_mC22_12_i_3i_a_i:Li-O-Ti-V +mp-752814,Li2TiV2O6,-8.1580254323,-2.743363418,0.0359182774,0.0359182774,GGA+U,C2/m,A2B6CD2_mC22_12_i_3i_a_i:Li-O-Ti-V,22.0,A2B6CD2_mC22_12_i_3i_a_i:Li-O-Ti-V +mp-754264,Li2TiV2O6,-8.1055925636,-2.6909305493,0.088351146,0.088351146,GGA+U,Cmce,A2B6CD2_oC44_64_e_fg_a_d:Li-O-Ti-V,22.0,A2B6CD2_oC44_64_e_fg_a_d:Li-O-Ti-V +mp-770493,Li5V2Fe5O12,-7.4236508938,-2.0310343497,0.046089252,0.046089252,GGA+U,C2,A5B5C12D2_mC48_5_a2bc_a2c_6c_ab:Fe-Li-O-V,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a2bc_a4c_6c_ab:Fe-Li-O-V, expected Li9V2Fe5O12 to be Li5V2Fe5O12" +mp-752510,Li3Ti2V3O10,-8.2602675544,-2.8026921125,0.0385811462,0.0385811462,GGA+U,P-1,A3B10C2D3_aP18_2_bi_5i_i_ei:Li-O-Ti-V,36.0,"Invalid WP multiplicities - A3B10C2D3_aP18_2_bi_5i_i_2e2i:Li-O-Ti-V, expected Li3Ti2V6O10 to be Li3Ti2V3O10" +mp-769573,LiTiVO4,-8.4082201648,-2.8832093364,0.055479236,0.0510447635,GGA+U,P1,AB4CD_aP21_1_3a_12a_3a_3a:Li-O-Ti-V,42.0,"Invalid WP multiplicities - AB4CD_aP21_1_3a_12a_3a_6a:Li-O-Ti-V, expected LiTiV2O4 to be LiTiVO4" +mp-752789,LiTiVO4,-8.3678599164,-2.8428490881,0.0958394843,0.0914050119,GGA+U,Imma,AB4CD_oI28_74_a_hi_b_c:Li-O-Ti-V,28.0,AB4CD_oI28_74_a_hi_b_c:Li-O-Ti-V +mp-772042,LiTiVO4,-8.4636994007,-2.9386885724000003,0.0,-0.0044344724,GGA+U,Imma,AB4CD_oI28_74_e_hi_a_c:Li-O-Ti-V,28.0,AB4CD_oI28_74_e_hi_a_c:Li-O-Ti-V +mp-757121,Li3V2FeO6,-7.4849139475,-2.3145194294,0.0141755519,0.0141755519,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Fe-Li-O-V,24.0,AB3C6D2_mC24_12_a_di_3i_i:Fe-Li-O-V +mp-1222391,LiV(FeO2)4,-7.8833158171,-1.8514284267,0.0858193407,0.0858193407,GGA+U,C2/m,A4BC8D_mC28_12_ei_a_2ij_c:Fe-Li-O-V,14.0,"Invalid WP multiplicities - A4BC8D_mC28_12_ei_c_4i2j_b:Fe-Li-O-V, expected LiV(FeO4)4 to be LiV(FeO2)4" +mp-753077,Li3V2Fe3O10,-7.5879738772,-2.1006665726,0.0756800545,0.0756800545,GGA+U,P-1,A3B3C10D2_aP18_2_bi_ei_5i_i:Fe-Li-O-V,18.0,"Invalid WP multiplicities - A3B3C10D2_aP18_2_bi_e2i_9i_i:Fe-Li-O-V, expected Li5V2(FeO6)3 to be Li3V2Fe3O10" +mp-1293112,Li2Ti2V3O10,-8.4805615224,-2.8142418112,0.0526216623,0.0526216623,GGA+U,P1,A2B10C2D3_aP17_1_2a_10a_2a_3a:Li-O-Ti-V,17.0,A2B10C2D3_aP17_1_2a_10a_2a_3a:Li-O-Ti-V +mp-759328,Li2Ti2V3O10,-8.4842935782,-2.8179738671,0.0488896064,0.0488896064,GGA+U,P-1,A2B10C2D3_aP34_2_2i_10i_2i_ab2i:Li-O-Ti-V,34.0,"Invalid WP multiplicities - A2B10C2D3_aP34_2_3i_15i_3i_ab2i:Li-O-Ti-V, expected LiTiVO5 to be Li2Ti2V3O10" +mp-1275591,Li2Ti2V3O10,-8.4808255182,-2.8145058071,0.0523576664,0.0523576664,GGA+U,P-1,A2B10C2D3_aP34_2_2i_10i_2i_be2i:Li-O-Ti-V,34.0,"Invalid WP multiplicities - A2B10C2D3_aP34_2_3i_15i_3i_ac2i:Li-O-Ti-V, expected LiTiVO5 to be Li2Ti2V3O10" +mp-1305884,Li2Ti2V3O10,-8.4832008953,-2.8168811842,0.0499822893,0.0499822893,GGA+U,P-1,A2B10C2D3_aP34_2_2i_10i_2i_3i:Li-O-Ti-V,34.0,"Invalid WP multiplicities - A2B10C2D3_aP34_2_3i_15i_3i_6i:Li-O-Ti-V, expected LiTiV2O5 to be Li2Ti2V3O10" +mp-1310605,Li2Ti2V3O10,-8.4826059294,-2.8162862183,0.0505772552,0.0505772552,GGA+U,P-1,A2B10C2D3_aP34_2_2i_10i_2i_be2i:Li-O-Ti-V,34.0,"Invalid WP multiplicities - A2B10C2D3_aP34_2_4i_20i_4i_be2i:Li-O-Ti-V, expected Li4Ti4V3O20 to be Li2Ti2V3O10" +mp-867959,Li3Ti2VO6,-7.8328643358,-2.8093817549,0.0527636819,0.0527636819,GGA+U,C2/m,A3B6C2D_mC24_12_ai_3i_i_c:Li-O-Ti-V,12.0,"Invalid WP multiplicities - A3B6C2D_mC24_12_ai_5i_i_d:Li-O-Ti-V, expected Li3Ti2VO10 to be Li3Ti2VO6" +mp-753117,Li4Ti3V3O12,-8.1866986882,-2.8260554945000003,0.0612520953,0.0612520953,GGA+U,P-1,A4B12C3D3_aP22_2_2i_6i_bi_ei:Li-O-Ti-V,22.0,"Invalid WP multiplicities - A4B12C3D3_aP22_2_2i_11i_b2i_ei:Li-O-Ti-V, expected Li4Ti5V3O22 to be Li4Ti3V3O12" +mp-758719,Li4V2Fe3O10,-7.4172219908,-2.1182507093,0.0698312545,0.0698312545,GGA+U,P-1,A3B4C10D2_aP38_2_ae2i_4i_10i_2i:Fe-Li-O-V,38.0,"Invalid WP multiplicities - A3B4C10D2_aP38_2_ae2i_6i_18i_2i:Fe-Li-O-V, expected Li6V2(FeO6)3 to be Li4V2Fe3O10" +mp-850103,Li4V5(FeO6)2,-7.8902084359,-2.266055011,0.0627656389,0.0627656389,GGA+U,P2_1,A2B4C12D5_mP46_4_2a_4a_12a_5a:Fe-Li-O-V,46.0,"Invalid WP multiplicities - A2B4C12D5_mP46_4_3a_8a_24a_10a:Fe-Li-O-V, expected Li8V10(FeO8)3 to be Li4V5(FeO6)2" +mp-769487,Li4Ti4V5O18,-8.4198798229,-2.8173770266,0.0819235883,0.0819235883,GGA+U,Pbam,A4B18C4D5_oP62_55_2g_4g5h_gh_agh:Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B18C4D5_oP62_55_5g_12g20h_3g2h_2a4g2h:Li-O-Ti-V, expected Li5Ti5V7O32 to be Li4Ti4V5O18" +mp-1573040,Li2TiV5O12,-8.4042711927,-2.579614561,0.0830580943,0.0830580943,GGA+U,P1,A2B12CD5_aP40_1_4a_24a_2a_10a:Li-O-Ti-V,40.0,A2B12CD5_aP40_1_4a_24a_2a_10a:Li-O-Ti-V +mp-774801,Li2TiV5O12,-8.4008016695,-2.5761450377,0.0865276176,0.0865276176,GGA+U,C2,A2B12CD5_mC40_5_ab_6c_a_b2c:Li-O-Ti-V,20.0,"Invalid WP multiplicities - A2B12CD5_mC40_5_ab_12c_a_b4c:Li-O-Ti-V, expected Li2TiV9O24 to be Li2TiV5O12" +mp-1247728,LiV2FeO7,-7.9762511486,-2.2331986763,0.0099419884,0.0099419884,GGA+U,Cc,ABC7D2_mC132_9_3a_3a_21a_6a:Fe-Li-O-V,132.0,ABC7D2_mC132_9_3a_3a_21a_6a:Fe-Li-O-V +mp-1177731,Li3Ti2V5O12,-8.3920078468,-2.6512102323,0.0734591961,0.0734591961,GGA+U,P1,A3B12C2D5_aP66_1_9a_36a_6a_15a:Li-O-Ti-V,66.0,A3B12C2D5_aP66_1_9a_36a_6a_15a:Li-O-Ti-V +mp-753182,Li3V3(FeO5)2,-7.7124063783,-2.1909943593,0.1002767595,0.1002767595,GGA+U,P-1,A2B3C10D3_aP18_2_i_bi_5i_ei:Fe-Li-O-V,18.0,"Invalid WP multiplicities - A2B3C10D3_aP18_2_i_b2i_9i_ei:Fe-Li-O-V, expected Li5V3(FeO9)2 to be Li3V3(FeO5)2" +mp-752916,Li4V3(FeO5)2,-7.5499271263,-2.2186461153,0.0778405068,0.0778405068,GGA+U,P1,A2B4C10D3_aP19_1_2a_4a_10a_3a:Fe-Li-O-V,19.0,A2B4C10D3_aP19_1_2a_4a_10a_3a:Fe-Li-O-V +mp-1346420,Li4V3(FeO5)2,-5.7618886874,-0.4306076764,1.8658789457,1.8658789457,GGA+U,P1,A2B4C10D3_aP19_1_2a_4a_10a_3a:Fe-Li-O-V,19.0,A2B4C10D3_aP19_1_2a_4a_10a_3a:Fe-Li-O-V +mp-1177206,Li4V3Fe5O16,-7.6529191507,-2.0677571826,0.0786371204,0.0786371204,GGA+U,P1,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-V,28.0,A5B4C16D3_aP28_1_5a_4a_16a_3a:Fe-Li-O-V +mp-772417,Li4V3Fe5O16,-7.6542417639,-2.0690797958,0.0773145072,0.0773145072,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Fe-Li-O-V,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3a2b_4a_8a6b_ab:Fe-Li-O-V, expected Li4V3Fe7O20 to be Li4V3Fe5O16" +mp-757246,Li2Ti3VO8,-8.4618076318,-3.0216835215,0.0901328688,0.078878095,GGA+U,C2/m,A2B8C3D_mC28_12_cd_2ij_ae_b:Li-O-Ti-V,28.0,A2B8C3D_mC28_12_ab_2ij_ce_d:Li-O-Ti-V +mp-756158,Li2Ti3VO8,-8.5396176487,-3.0994935385,0.0123228518,0.001068078,GGA+U,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Li-O-Ti-V,56.0,A2B8C3D_hR42_166_c_ch_d_a:Li-O-Ti-V +mp-771076,Li2Ti3VO8,-8.515413475,-3.0752893648,0.0365270255,0.0252722518,GGA+U,P6_3mc,A2B8C3D_hP28_186_ab_ab2c_c_b:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8C3D_hP28_186_a2b_a2b9c_c_b:Li-O-Ti-V, expected Li3Ti3VO30 to be Li2Ti3VO8" +mp-775161,Li2Ti3VO8,-8.5519405005,-3.1118163903,0.0,-0.0112547738,GGA+U,P4_332,A2B8C3D_cP56_212_c_ce_d_a:Li-O-Ti-V,56.0,"Invalid WP multiplicities - A2B8C3D_cP56_212_c_8c9e_d_a:Li-O-Ti-V, expected Li2Ti3VO70 to be Li2Ti3VO8" +mp-756940,LiTiV3O10,-8.302975424,-2.5347740769,0.0695999922,0.0695999922,GGA+U,C2,AB10CD3_mC30_5_b_5c_a_ac:Li-O-Ti-V,15.0,"Invalid WP multiplicities - AB10CD3_mC30_5_b_8c_a_ac:Li-O-Ti-V, expected LiTiV3O16 to be LiTiV3O10" +mp-755085,Li3V4FeO8,-7.8938672944,-2.2622470581,0.0973429091,0.0973429091,GGA+U,C2/m,AB3C8D4_mC32_12_a_de_2ij_bcf:Fe-Li-O-V,16.0,"Invalid WP multiplicities - AB3C8D4_mC32_12_a_df_4i2j_bce:Fe-Li-O-V, expected Li3V4FeO16 to be Li3V4FeO8" +mp-756969,Li2VFeO4,-7.3469046862,-2.202088704,0.0437451734,0.0437451734,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Fe-Li-O-V,24.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_6i_12i_ci:Fe-Li-O-V, expected Li4VFeO8 to be Li2VFeO4" +mp-1177788,Li2VFeO4,-7.34494186,-2.2001258777,0.0457079997,0.0457079997,GGA+U,P2/m,AB2C4D_mP8_10_b_dh_mn_c:Fe-Li-O-V,8.0,"Invalid WP multiplicities - AB2C4D_mP8_10_b_eg_2m2n_c:Fe-Li-O-V, expected Li2VFeO8 to be Li2VFeO4" +mp-765706,Li2VFeO4,-7.3303688406,-2.1855528583,0.0602810191,0.0602810191,GGA+U,C2/m,AB2C4D_mC32_12_ac_bde_2ij_f:Fe-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_aP16_2_ad_bceg_7i_fh:Fe-Li-O-V, expected Li2VFeO7 to be Li2VFeO4" +mp-881807,Li2VFeO4,-7.3434709481,-2.1986549658,0.0471789116,0.0471789116,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Fe-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_4h3i_d:Fe-Li-O-V, expected Li4VFeO14 to be Li2VFeO4" +mp-867736,Li2VFeO4,-7.2783218025,-2.1335058202,0.1123280572,0.1123280572,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Fe-Li-O-V,8.0,"Invalid WP multiplicities - AB2C4D_tI16_119_a_bc_2e2f_d:Fe-Li-O-V, expected Li2VFeO8 to be Li2VFeO4" +mp-760212,Li3Ti2V3O12,-8.114944072,-2.7084573031,0.0879782975,0.0879782975,GGA+U,P2_1/c,A3B12C2D3_mP80_14_3e_12e_2e_3e:Li-O-Ti-V,80.0,"Invalid WP multiplicities - A3B12C2D3_mP80_14_9e_43e_3e_11e:Li-O-Ti-V, expected Li9Ti3V11O43 to be Li3Ti2V3O12" +mp-760208,Li4V3(FeO6)2,-7.5536082594,-2.2589550865,0.0365978635,0.0365978635,GGA+U,P2_1/c,A2B4C12D3_mP84_14_2e_4e_12e_3e:Fe-Li-O-V,84.0,"Invalid WP multiplicities - A2B4C12D3_mP84_14_2e_13e_47e_11e:Fe-Li-O-V, expected Li13V11Fe2O47 to be Li4V3(FeO6)2" +mp-758312,Li2Ti2V5O12,-8.6017186245,-2.678450784,0.0966752541,0.0966752541,GGA+U,P2_1,A2B12C2D5_mP42_4_2a_12a_2a_5a:Li-O-Ti-V,42.0,"Invalid WP multiplicities - A2B12C2D5_mP42_4_4a_24a_3a_10a:Li-O-Ti-V, expected Li4Ti3V10O24 to be Li2Ti2V5O12" +mp-1305527,Li5Ti2V3O10,-7.806642322,-2.7039321375,0.0111220001,0.0111220001,GGA+U,P1,A5B10C2D3_aP40_1_10a_20a_4a_6a:Li-O-Ti-V,40.0,"Invalid WP multiplicities - A5B10C2D3_aP20_2_b2i_5i_i_e2i:Li-O-Ti-V, expected Li5Ti2V5O10 to be Li5Ti2V3O10" +mp-760954,Li5Ti2V3O10,-7.8066452555,-2.703935071,0.0111190666,0.0111190666,GGA+U,P-1,A5B10C2D3_aP20_2_b2i_5i_i_ei:Li-O-Ti-V,40.0,"Invalid WP multiplicities - A5B10C2D3_aP20_2_b2i_5i_i_2e2i:Li-O-Ti-V, expected Li5Ti2V6O10 to be Li5Ti2V3O10" +mp-1289239,Li5Ti2V3O10,-7.8029323175,-2.700222133,0.0148320046,0.0148320046,GGA+U,P-1,A5B10C2D3_aP40_2_5i_10i_2i_be2i:Li-O-Ti-V,40.0,"Invalid WP multiplicities - A5B10C2D3_aP40_2_7i_15i_3i_be2i:Li-O-Ti-V, expected Li7Ti3V3O15 to be Li5Ti2V3O10" +mp-771072,Li3V3FeO8,-7.6950032313,-2.293535384,0.0843257867,0.0843257867,GGA+U,C2/m,AB3C8D3_mC30_12_a_cf_2ij_be:Fe-Li-O-V,15.0,"Invalid WP multiplicities - AB3C8D3_aP15_2_c_bfg_8i_ade:Fe-Li-O-V, expected Li3V3FeO16 to be Li3V3FeO8" +mp-755957,Li3V3FeO8,-7.6966650167,-2.2951971693,0.0826640014,0.0826640014,GGA+U,R-3m,AB3C8D3_hR45_166_a_d_ch_e:Fe-Li-O-V,15.0,"Invalid WP multiplicities - AB3C8D3_hR45_166_a_d_2c2h_e:Fe-Li-O-V, expected Li3V3FeO16 to be Li3V3FeO8" +mp-773674,Li4Ti3V3(FeO8)2,-8.1785629282,-2.6549576594,0.0408196564,0.0408196564,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Fe-Li-O-Ti-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Fe-Li-O-Ti-V +mp-772531,Li4Ti3V3(FeO8)2,-8.1625050243,-2.6388997555,0.0568775603,0.0568775603,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Fe-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B4C16D3E3_mC56_8_2a_4a_8a6b_ab_ab:Fe-Li-O-Ti-V, expected Li4Ti3V3(FeO10)2 to be Li4Ti3V3(FeO8)2" +mp-754679,Li5V2Fe3O10,-7.2765484915,-2.1470796307,0.0490375844,0.0490375844,GGA+U,P-1,A3B5C10D2_aP20_2_bi_c2i_5i_i:Fe-Li-O-V,20.0,"Invalid WP multiplicities - A3B5C10D2_aP20_2_bi_c4i_9i_i:Fe-Li-O-V, expected Li9V2(FeO6)3 to be Li5V2Fe3O10" +mp-1273419,Li3TiV2O6,-7.7821011896,-2.6595841042,0.0186972086,0.0186972086,GGA+U,P1,A3B6CD2_aP12_1_3a_6a_a_2a:Li-O-Ti-V,24.0,"Invalid WP multiplicities - A3B6CD2_mC24_8_3a_6a_a_4a:Li-O-Ti-V, expected Li3TiV4O6 to be Li3TiV2O6" +mp-1275879,Li3TiV2O6,-7.7817433825,-2.6592262972,0.0190550157,0.0190550157,GGA+U,Cm,A3B6CD2_mC24_8_3a_6a_a_2a:Li-O-Ti-V,24.0,"Invalid WP multiplicities - A3B6CD2_mC24_8_3a_6a_a_4a:Li-O-Ti-V, expected Li3TiV4O6 to be Li3TiV2O6" +mp-759411,Li3TiV2O6,-7.7756266871,-2.6531096017,0.0251717111,0.0251717111,GGA+U,C2/m,A3B6CD2_mC24_12_ai_3i_c_i:Li-O-Ti-V,24.0,A3B6CD2_mC24_12_ai_3i_d_i:Li-O-Ti-V +mp-753531,LiTi3VO8,-8.8142608583,-3.1025058831,0.0963970021,0.0963970021,GGA+U,R-3m,AB8C3D_hR39_166_a_ch_d_b:Li-O-Ti-V,52.0,AB8C3D_hR39_166_a_ch_d_b:Li-O-Ti-V +mp-776628,Li4TiV5O12,-8.0044502691,-2.5357694342,0.112003927,0.112003927,GGA+U,C2/m,A4B12CD5_mC44_12_j_2i2j_a_dgh:Li-O-Ti-V,22.0,"Invalid WP multiplicities - A4B12CD5_mC44_12_j_3i4j_a_cg2h:Li-O-Ti-V, expected Li4TiV7O22 to be Li4TiV5O12" +mp-752543,Li3Ti4VO8,-8.2046247856,-2.831740259,0.0787914084,0.0787914084,GGA+U,C2/m,A3B8C4D_mC32_12_ae_2ij_bcf_d:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A3B8C4D_mC32_12_a2e_4i3j_bcf_d:Li-O-Ti-V, expected Li5Ti4VO20 to be Li3Ti4VO8" +mp-1315810,Li3Ti3VO8,-8.1271170027,-2.9224063087000003,0.0776873382,0.0776873382,GGA+U,P2_1/m,A3B8C3D_mP30_11_ade_4e2f_bce_e:Li-O-Ti-V,30.0,"Invalid WP multiplicities - A3B8C3D_mP30_11_2abe_7e8f_2c2de_e:Li-O-Ti-V, expected Li4Ti5VO23 to be Li3Ti3VO8" +mp-752665,Li3Ti3VO8,-8.1495655667,-2.9448548727,0.0552387742,0.0552387742,GGA+U,C2/m,A3B8C3D_mC30_12_cf_2ij_ae_b:Li-O-Ti-V,30.0,A3B8C3D_mC30_12_ce_2ij_af_b:Li-O-Ti-V +mp-1304492,Li3Ti3VO8,-8.124073112,-2.919362418,0.0807312289,0.0807312289,GGA+U,C2/m,A3B8C3D_mC120_12_adi2j_8i4j_ef2ij_2i:Li-O-Ti-V,60.0,A3B8C3D_hR45_166_d_ch_e_a:Li-O-Ti-V +mp-1177610,Li3Ti3VO8,-8.1251331433,-2.9204224493,0.0796711976,0.0796711976,GGA+U,R-3m,A3B8C3D_hR45_166_d_ch_e_a:Li-O-Ti-V,15.0,"Invalid WP multiplicities - A3B8C3D_hR45_166_d_2c2h_e_a:Li-O-Ti-V, expected Li3Ti3VO16 to be Li3Ti3VO8" +mp-1177277,Li4TiV4(Fe2O9)2,-7.8820131048,-2.2437134466,0.1016975278,0.1016975278,GGA+U,Pmc2_1,A4B4C18DE4_oP62_26_2a2b_4a_8a10b_a_2a2b:Fe-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18DE4_oP62_26_4a2b_6a_14a20b_a_4a2b:Fe-Li-O-Ti-V, expected Li6TiV6(Fe3O17)2 to be Li4TiV4(Fe2O9)2" +mp-758608,Li4V2Fe5O12,-7.5359592913,-1.9918778047,0.0734343452,0.0734343452,GGA+U,P2_1,A5B4C12D2_mP46_4_5a_4a_12a_2a:Fe-Li-O-V,46.0,"Invalid WP multiplicities - A5B4C12D2_mP46_4_10a_8a_24a_3a:Fe-Li-O-V, expected Li8V3(Fe5O12)2 to be Li4V2Fe5O12" +mp-770674,Li9V12Fe7O48,-7.6561152326,-2.0913996372,0.0678955703,0.0678955703,GGA+U,P1,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-V,76.0,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-V +mp-850893,Li9V12Fe7O48,-7.6590896078,-2.0943740124,0.0649211952,0.0649211952,GGA+U,P1,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-V,76.0,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-V +mp-1235238,LiTi3V5O16,-8.7987472624,-2.7922693165,0.0678827889,0.0678827889,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Li-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Li-O-Ti-V +mp-768180,Li4Ti2V3(Fe2O9)2,-7.9482731277,-2.3483094067,0.0956613262,0.0956613262,GGA+U,Pbam,A4B4C18D2E3_oP62_55_gh_2g_4g5h_g_ah:Fe-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D2E3_oP62_55_3g2h_5g_12g20h_g_2a2h:Fe-Li-O-Ti-V, expected Li5TiV3Fe5O32 to be Li4Ti2V3(Fe2O9)2" +mp-752618,LiTi2VO6,-8.692502603,-3.0461080792,0.0617197965,0.0617197965,GGA+U,C2/m,AB6C2D_mC20_12_a_3i_i_c:Li-O-Ti-V,20.0,AB6C2D_mC20_12_a_3i_i_d:Li-O-Ti-V +mp-774505,LiTi2VO6,-8.712542192,-3.0661476683,0.0416802075,0.0416802075,GGA+U,P2_1/c,AB6C2D_mP40_14_e_6e_2e_e:Li-O-Ti-V,40.0,"Invalid WP multiplicities - AB6C2D_mP40_14_e_23e_3e_e:Li-O-Ti-V, expected LiTi3VO23 to be LiTi2VO6" +mp-755172,Li5V3(FeO5)2,-7.3584992765,-2.1983361727,0.097214367,0.097214367,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_di:Fe-Li-O-V,20.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b4i_9i_di:Fe-Li-O-V, expected Li9V3(FeO9)2 to be Li5V3(FeO5)2" +mp-1326531,Li5V3(FeO5)2,-5.6826207140000005,-0.5224576102,1.7730929295000002,1.7730929295000002,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_ci:Fe-Li-O-V,20.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b4i_9i_ci:Fe-Li-O-V, expected Li9V3(FeO9)2 to be Li5V3(FeO5)2" +mp-758843,Li2Ti2VO6,-8.2337135873,-2.9270892142,0.0638565932,0.0638565932,GGA+U,P-1,A2B6C2D_aP33_2_3i_9i_3i_ai:Li-O-Ti-V,33.0,"Invalid WP multiplicities - A2B6C2D_aP33_2_5i_18i_4i_ai:Li-O-Ti-V, expected Li10Ti8V3O36 to be Li2Ti2VO6" +mp-754529,Li2Ti2VO6,-8.2199445405,-2.9133201673,0.07762564,0.07762564,GGA+U,Cmce,A2B6C2D_oC44_64_e_fg_d_a:Li-O-Ti-V,44.0,A2B6C2D_oC44_64_e_fg_d_a:Li-O-Ti-V +mp-763659,Li3V2(FeO4)2,-7.5129118133,-2.1523696233,0.0881789802,0.0881789802,GGA+U,P-1,A2B3C8D2_aP15_2_af_bcg_4i_de:Fe-Li-O-V,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_af_bcg_7i_de:Fe-Li-O-V, expected Li3V2(FeO7)2 to be Li3V2(FeO4)2" +mp-752652,Li3V2(FeO4)2,-7.424856952,-2.064314762,0.1762338415,0.1762338415,GGA+U,C2/m,A2B3C8D2_mC30_12_ac_bf_2ij_e:Fe-Li-O-V,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_12_bc_af_3i2j_e:Fe-Li-O-V, expected Li3V2(FeO7)2 to be Li3V2(FeO4)2" +mp-769491,Li4Ti2V7O18,-8.3015673966,-2.6223927259,0.0880800891,0.0880800891,GGA+U,Pmc2_1,A4B18C2D7_oP62_26_4a_8a10b_2a_3a4b:Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B18C2D7_oP62_55_5g_12g20h_g_2a4g6h:Li-O-Ti-V, expected Li5TiV11O32 to be Li4Ti2V7O18" +mp-759143,Li2V(FeO3)2,-7.4129221191,-2.0018378927,0.1412766477,0.1412766477,GGA+U,C2/m,A2B2C6D_mC66_12_ij_hj_3i3j_ag:Fe-Li-O-V,33.0,"Invalid WP multiplicities - A2B2C6D_mC66_12_2i2j_hj_6i8j_a2g:Fe-Li-O-V, expected Li6V5(Fe3O11)4 to be Li2V(FeO3)2" +mp-776663,Li4Ti2V3Fe3O16,-8.009102655,-2.4649784864,0.0484470976,0.0484470976,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_a2b:Fe-Li-O-Ti-V, expected Li4Ti2V5Fe3O20 to be Li4Ti2V3Fe3O16" +mp-755983,LiV2FeO6,-8.0162906435,-2.1936017951,0.1057424096,0.1057424096,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Fe-Li-O-V,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_11f_f:Fe-Li-O-V, expected LiV2FeO22 to be LiV2FeO6" +mp-756824,Li3V(FeO2)4,-7.4167836206,-1.9002667956,0.0925016681,0.0925016681,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Fe-Li-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_c2f_3i2j_b:Fe-Li-O-V, expected Li5V(Fe2O7)2 to be Li3V(FeO2)4" +mp-753240,Li2Ti3V3O12,-8.5746840248,-2.8688687983000003,0.0933380917,0.0933380917,GGA+U,P-1,A2B12C3D3_aP20_2_ah_6i_ci_fi:Li-O-Ti-V,40.0,"Invalid WP multiplicities - A2B12C3D3_aP20_2_ah_6i_ci_2f2i:Li-O-Ti-V, expected Li2Ti3V6O12 to be Li2Ti3V3O12" +mp-755429,Li2TiVO5,-7.8679923572,-2.8090270932,0.0301579014,0.0301579014,GGA+U,P4/nmm,A2B5CD_tP18_129_d_ci_b_c:Li-O-Ti-V,36.0,A2B5CD_tP18_129_d_ci_b_c:Li-O-Ti-V +mp-782720,LiTiV3O8,-8.53059131,-2.6360034036,0.1026228864,0.1026228864,GGA+U,P-1,AB8CD3_aP13_2_b_4i_e_acd:Li-O-Ti-V,13.0,"Invalid WP multiplicities - AB8CD3_aP13_2_b_7i_e_acd:Li-O-Ti-V, expected LiTiV3O14 to be LiTiV3O8" +mp-754709,LiTiV3O8,-8.4936860946,-2.5990981882,0.1395281018,0.1395281018,GGA+U,C2/m,AB8CD3_mC26_12_c_2ij_a_be:Li-O-Ti-V,13.0,"Invalid WP multiplicities - AB8CD3_mC26_12_c_3i4j_b_ae:Li-O-Ti-V, expected LiTiV3O22 to be LiTiV3O8" +mp-849145,Li3VFe3O8,-6.9781675633,-1.6585510307,0.4446850057,0.4446850057,GGA+U,P-1,A3B3C8D_aP15_2_acd_bfg_4i_e:Fe-Li-O-V,15.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_acd_bfg_7i_e:Fe-Li-O-V, expected Li3VFe3O14 to be Li3VFe3O8" +mp-1177549,Li3VFe3O8,-7.336805887,-2.0171893543,0.086046682,0.086046682,GGA+U,Cc,A3B3C8D_mC60_9_3a_3a_8a_a:Fe-Li-O-V,30.0,"Invalid WP multiplicities - A3B3C8D_hP30_186_c_c_2a2b9c_b:Fe-Li-O-V, expected Li3VFe3O31 to be Li3VFe3O8" +mp-762710,Li3VFe3O8,-7.323079814,-2.0034632813,0.099772755,0.099772755,GGA+U,C2/m,A3B3C8D_mC30_12_ae_cf_2ij_b:Fe-Li-O-V,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_bf_ce_3i2j_a:Fe-Li-O-V, expected Li3VFe3O14 to be Li3VFe3O8" +mp-757069,Li3VFe3O8,-7.350374358,-2.0307578253,0.072478211,0.072478211,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Fe-Li-O-V,15.0,"Invalid WP multiplicities - A3B3C8D_hR45_166_e_d_2c2h_a:Fe-Li-O-V, expected Li3VFe3O16 to be Li3VFe3O8" +mp-760316,Li3VFe3O8,-7.3360165023,-2.0163999697,0.0868360667,0.0868360667,GGA+U,P6_3mc,A3B3C8D_hP30_186_c_c_ab2c_b:Fe-Li-O-V,30.0,"Invalid WP multiplicities - A3B3C8D_hP30_186_c_c_2a2b9c_b:Fe-Li-O-V, expected Li3VFe3O31 to be Li3VFe3O8" +mp-755063,Li2VFe3O8,-7.5191727771,-1.9559352683,0.1087878212,0.1087878212,GGA+U,Cmc2_1,A3B2C8D_oC56_36_ab_2a_4a2b_a:Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B2C8D_oC56_36_2a3b_3a_7a7b_a:Fe-Li-O-V, expected Li3VFe8O21 to be Li2VFe3O8" +mp-756590,Li2VFe3O8,-7.5491063136,-1.9858688048,0.0788542848,0.0788542848,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Li-O-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2ch_a:Fe-Li-O-V, expected Li2VFe3O10 to be Li2VFe3O8" +mp-1177782,Li2VFe3O8,-7.5320410207,-1.9688035119,0.0959195777,0.0959195777,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Fe-Li-O-V, expected Li3V(FeO10)3 to be Li2VFe3O8" +mp-772953,Li2VFe3O8,-7.5526089218,-1.989371413,0.0753516766,0.0753516766,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Fe-Li-O-V,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Fe-Li-O-V, expected Li2VFe3O70 to be Li2VFe3O8" +mp-768109,Li4Ti3V2(Fe2O9)2,-8.0086020187,-2.4469742349,0.0949927366,0.0949927366,GGA+U,Pmc2_1,A4B4C18D3E2_oP62_26_2a2b_4a_8a10b_2ab_ab:Fe-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D3E2_oP62_26_4a2b_6a_14a20b_3ab_2ab:Fe-Li-O-Ti-V, expected Li6Ti4V3(Fe3O17)2 to be Li4Ti3V2(Fe2O9)2" +mp-1176543,LiVFeO4,-7.7268872538,-2.1198008264,0.101637797,0.101637797,GGA+U,P1,ABC4D_aP21_1_3a_3a_12a_3a:Fe-Li-O-V,21.0,ABC4D_aP21_1_3a_3a_12a_3a:Fe-Li-O-V +mp-756201,LiVFeO4,-7.8182020086,-2.2111155812,0.0103230423,0.0103230423,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-V,14.0,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-V +mp-772649,LiVFeO4,-7.8126122936,-2.2055258662,0.0159127573,0.0159127573,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-V +mp-775175,LiVFeO4,-7.7861060486,-2.1790196212,0.0424190023,0.0424190023,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Fe-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h3i_c:Fe-Li-O-V, expected LiVFeO10 to be LiVFeO4" +mp-775811,LiVFeO4,-7.7705885725,-2.1635021451,0.0579364783,0.0579364783,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Fe-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Fe-Li-O-V, expected LiVFeO6 to be LiVFeO4" +mp-753208,Li4Ti3VO8,-7.8015324088,-2.802808454,0.0995277925,0.0995277925,GGA+U,Pm,A4B8C3D_mP16_6_2a2b_4a4b_a2b_a:Li-O-Ti-V,16.0,A4B8C3D_mP16_6_2a2b_4a4b_a2b_a:Li-O-Ti-V +mp-760347,Li4Ti3VO8,-7.859496702499999,-2.8607727477,0.0415634987,0.0415634987,GGA+U,R-3m,A4B8C3D_hR48_166_ae_ch_d_b:Li-O-Ti-V,16.0,"Invalid WP multiplicities - A4B8C3D_hR48_166_ae_2c2h_d_b:Li-O-Ti-V, expected Li4Ti3VO16 to be Li4Ti3VO8" +mp-754700,Li4V3FeO10,-7.4810097867,-2.3241032312,0.0659241684,0.0659241684,GGA+U,P-4m2,AB4C10D3_tP18_115_a_i_gjk_bg:Fe-Li-O-V,18.0,"Invalid WP multiplicities - AB4C10D3_tP18_115_a_i_2g2j2k_bg:Fe-Li-O-V, expected Li4V3FeO20 to be Li4V3FeO10" +mp-758699,Li2V2FeO6,-7.6811497215,-2.2142577805,0.116915019,0.116915019,GGA+U,P-1,AB2C6D2_aP33_2_ai_3i_9i_3i:Fe-Li-O-V,33.0,"Invalid WP multiplicities - AB2C6D2_aP33_2_ai_5i_18i_6i:Fe-Li-O-V, expected Li10V12(FeO12)3 to be Li2V2FeO6" +mp-754148,Li2V2FeO6,-7.6837586264,-2.2168666854,0.1143061142,0.1143061142,GGA+U,C2/c,AB2C6D2_mC44_15_c_f_3f_f:Fe-Li-O-V,22.0,"Invalid WP multiplicities - AB2C6D2_mC44_15_a_f_10f_f:Fe-Li-O-V, expected Li2V2FeO20 to be Li2V2FeO6" +mp-1662321,Li2TiV3O8,-8.3155809329,-2.7056833864,0.0249752063,0.0249752063,GGA+U,P1,A2B8CD3_aP28_1_4a_16a_2a_6a:Li-O-Ti-V,28.0,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Ti-V +mp-1280539,Li2TiV3O8,-8.2751331529,-2.6652356064,0.0654229863,0.0654229863,GGA+U,P-1,A2B8CD3_aP28_2_chi_8i_i_abdfi:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_abi_13i_i_ce2hi:Li-O-Ti-V, expected Li2TiV3O13 to be Li2TiV3O8" +mp-1290921,Li2TiV3O8,-8.3324433993,-2.7225458529,0.0081127399,0.0081127399,GGA+U,P-1,A2B8CD3_aP28_2_2i_8i_i_be2i:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_3i_14i_i_be2i:Li-O-Ti-V, expected Li3TiV3O14 to be Li2TiV3O8" +mp-1313908,Li2TiV3O8,-8.3315920889,-2.7216945425,0.0089640503,0.0089640503,GGA+U,P-1,A2B8CD3_aP28_2_2i_8i_i_abcdfh:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_12_3i_6i8j_i_ac2e2f:Li-O-Ti-V, expected Li3TiV5O22 to be Li2TiV3O8" +mp-1304584,Li2TiV3O8,-8.3352848982,-2.7253873518,0.005271241,0.005271241,GGA+U,P-1,A2B8CD3_aP28_2_2i_8i_i_abcefh:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_3i_14i_i_abcefh:Li-O-Ti-V, expected Li3TiV3O14 to be Li2TiV3O8" +mp-1302630,Li2TiV3O8,-8.3328551479,-2.7229576014,0.0077009913,0.0077009913,GGA+U,C2,A2B8CD3_mC56_5_2c_8c_c_ab2c:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_5_3c_15c_c_ab2c:Li-O-Ti-V, expected Li3TiV3O15 to be Li2TiV3O8" +mp-756105,Li2TiV3O8,-8.2714628221,-2.6615652757,0.0690933171,0.0690933171,GGA+U,Cm,A2B8CD3_mC28_8_2a_8a_a_3a:Li-O-Ti-V,14.0,A2B8CD3_mC28_8_2a_8a_a_3a:Li-O-Ti-V +mp-778325,Li2TiV3O8,-8.3181473096,-2.7082497632,0.0224088296,0.0224088296,GGA+U,Cc,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_mC56_9_3a_14a_a_4a:Li-O-Ti-V, expected Li3TiV4O14 to be Li2TiV3O8" +mp-1306174,Li2TiV3O8,-8.2729465925,-2.6630490461000003,0.0676095467,0.0676095467,GGA+U,P2_1/m,A2B8CD3_mP28_11_ad_4e2f_e_bce:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_abeh_13i_i_abefi:Li-O-Ti-V, expected Li2TiV3O13 to be Li2TiV3O8" +mp-769560,Li2TiV3O8,-8.2726392189,-2.6627416725,0.0679169203,0.0679169203,GGA+U,C2/m,A2B8CD3_mC28_12_f_2ij_a_be:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP14_2_bf_5i_c_2a2d2e:Li-O-Ti-V, expected Li2TiV6O10 to be Li2TiV3O8" +mp-1306312,Li2TiV3O8,-8.3312483443,-2.7213507979,0.0093077949,0.0093077949,GGA+U,C2/m,A2B8CD3_mC28_12_i_2ij_a_ce:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP14_2_i_6i_b_ac2f:Li-O-Ti-V, expected Li2TiV4O12 to be Li2TiV3O8" +mp-1302186,Li2TiV3O8,-8.3321898607,-2.7222923143,0.0083662785,0.0083662785,GGA+U,P2/c,A2B8CD3_mP28_13_g_4g_e_acf:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B8CD3_mP28_13_g_8g_e_ac2f:Li-O-Ti-V, expected Li2TiV4O16 to be Li2TiV3O8" +mp-775564,Li2TiV3O8,-8.3351644059,-2.7252668595,0.0053917333,0.0053917333,GGA+U,P2_12_12_1,A2B8CD3_oP56_19_2a_8a_a_3a:Li-O-Ti-V,56.0,"Invalid WP multiplicities - A2B8CD3_oP56_19_5a_29a_a_9a:Li-O-Ti-V, expected Li5TiV9O29 to be Li2TiV3O8" +mp-1177856,Li2TiV3O8,-8.3243085393,-2.7144109929,0.0162475999,0.0162475999,GGA+U,P4_32_12,A2B8CD3_tP56_96_b_4b_a_ab:Li-O-Ti-V,56.0,"Invalid WP multiplicities - A2B8CD3_tP56_96_b_29b_a_3a2b:Li-O-Ti-V, expected Li2TiV7O58 to be Li2TiV3O8" +mp-755975,Li2TiV3O8,-8.3201420871,-2.7102445407,0.0204140521,0.0204140521,GGA+U,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Ti-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2ch_a_d:Li-O-Ti-V, expected Li2TiV3O10 to be Li2TiV3O8" +mp-774631,Li2TiV3O8,-8.3067330784,-2.696835532,0.0338230608,0.0338230608,GGA+U,P2_13,A2B8CD3_cP56_198_2a_2a2b_a_b:Li-O-Ti-V,56.0,"Invalid WP multiplicities - A2B8CD3_cP56_198_5a_8a13b_a_b:Li-O-Ti-V, expected Li5TiV3O47 to be Li2TiV3O8" +mp-801578,Li4VFe3O8,-7.0662393944,-1.9597912158,0.148831588,0.148831588,GGA+U,P-1,A3B4C8D_aP16_2_acd_bfgh_4i_e:Fe-Li-O-V,16.0,"Invalid WP multiplicities - A3B4C8D_aP16_2_acd_bfgh_8i_e:Fe-Li-O-V, expected Li4VFe3O16 to be Li4VFe3O8" +mp-1177344,Li4VFe3O8,-7.1757196375,-2.069271459,0.0393513448,0.0393513448,GGA+U,P2/m,A3B4C8D_mP32_10_aho_cdefo_2m2n2o_bg:Fe-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_mP32_10_aeo_cfgh3o_4m4n7o_bd:Fe-Li-O-V, expected Li8VFe3O22 to be Li4VFe3O8" +mp-1372845,Li4VFe3O8,-6.8972855928,-1.7908374143,0.3177853895,0.3177853895,GGA+U,P2/m,A3B4C8D_mP32_10_aho_cdefo_2m2n2o_bg:Fe-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_mP32_10_aeo_cfgh3o_4m4n7o_bd:Fe-Li-O-V, expected Li8VFe3O22 to be Li4VFe3O8" +mp-760357,Li4VFe3O8,-7.1904914581,-2.0840432796,0.0245795242,0.0245795242,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Fe-Li-O-V,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_a2e_2c3h_b:Fe-Li-O-V, expected Li7VFe3O22 to be Li4VFe3O8" +mp-763577,Li3Ti2V2O8,-8.0787499573,-2.7948116598,0.063726516,0.063726516,GGA+U,C2/m,A3B8C2D2_mC30_12_be_2ij_f_ac:Li-O-Ti-V,15.0,"Invalid WP multiplicities - A3B8C2D2_mC30_12_bf_3i4j_e_ac:Li-O-Ti-V, expected Li3Ti2V2O22 to be Li3Ti2V2O8" +mp-776874,Li2V3(FeO6)2,-7.7817056411,-2.1306598043,0.0331064357,0.0331064357,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Fe-Li-O-V,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_cd:Fe-Li-O-V, expected Li2V3(FeO21)2 to be Li2V3(FeO6)2" +mp-754081,Li3TiV3O8,-7.997331384,-2.6341654829000003,0.0691523441,0.0691523441,GGA+U,Cm,A3B8CD3_mC30_8_3a_8a_a_3a:Li-O-Ti-V,30.0,"Invalid WP multiplicities - A3B8CD3_mC30_8_3a_8a_a_6a:Li-O-Ti-V, expected Li3TiV6O8 to be Li3TiV3O8" +mp-756307,Li3TiV3O8,-8.0367719103,-2.6736060092,0.0297118177,0.0297118177,GGA+U,R-3m,A3B8CD3_hR45_166_d_ch_a_e:Li-O-Ti-V,30.0,"Invalid WP multiplicities - A3B8CD3_mP30_14_be_9e_a_2c2e:Li-O-Ti-V, expected Li3TiV6O18 to be Li3TiV3O8" +mp-757012,Li3TiV3O8,-8.0166020953,-2.6534361942,0.0498816327,0.0498816327,GGA+U,P6_3mc,A3B8CD3_hP30_186_c_ab2c_b_c:Li-O-Ti-V,30.0,"Invalid WP multiplicities - A3B8CD3_hP30_186_c_a2b9c_b_c:Li-O-Ti-V, expected Li3TiV3O30 to be Li3TiV3O8" +mp-753058,Li5TiV3O8,-7.4172027347,-2.4604183671,0.0887533961,0.0887533961,GGA+U,Cm,A5B8CD3_mC34_8_5a_8a_a_3a:Li-O-Ti-V,17.0,A5B8CD3_mC34_8_5a_8a_a_3a:Li-O-Ti-V +mp-759911,Li5TiV3O8,-7.4044741001,-2.4476897325,0.1014820306,0.1014820306,GGA+U,P2_12_12_1,A5B8CD3_oP68_19_5a_8a_a_3a:Li-O-Ti-V,68.0,"Invalid WP multiplicities - A5B8CD3_oP68_19_17a_30a_a_6a:Li-O-Ti-V, expected Li17TiV6O30 to be Li5TiV3O8" +mp-774230,Li4Ti5V3O16,-8.4846554279,-3.0020879586,0.0231645228,0.0231645228,GGA+U,Cm,A4B16C5D3_mC56_8_4a_8a4b_3ab_ab:Li-O-Ti-V,28.0,"Invalid WP multiplicities - A4B16C5D3_mC56_8_4a_8a6b_3a2b_ab:Li-O-Ti-V, expected Li4Ti7V3O20 to be Li4Ti5V3O16" +mp-1176571,LiTiV2O6,-8.500458727,-2.7352227979,0.0784808694,0.0784808694,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Li-O-Ti-V,10.0,AB6CD2_aP10_1_a_6a_a_2a:Li-O-Ti-V +mp-849731,LiTiV2O6,-8.506892305000001,-2.7416563759,0.0720472914,0.0720472914,GGA+U,Cm,AB6CD2_mC20_8_a_6a_a_2a:Li-O-Ti-V,20.0,"Invalid WP multiplicities - AB6CD2_mC20_8_a_6a_a_4a:Li-O-Ti-V, expected LiTiV4O6 to be LiTiV2O6" +mp-777694,Li4Ti3V5O16,-8.3271435346,-2.7596893473,0.0749842353,0.0749842353,GGA+U,P1,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Ti-V,28.0,A4B16C3D5_aP28_1_4a_16a_3a_5a:Li-O-Ti-V +mp-863401,Li6VFe5O12,-6.9981429883,-1.9044840777,0.1497887564,0.1497887564,GGA+U,P1,A5B6C12D_aP24_1_5a_6a_12a_a:Fe-Li-O-V,24.0,A5B6C12D_aP24_1_5a_6a_12a_a:Fe-Li-O-V +mp-863880,Li6VFe5O12,-7.074029295,-1.9803703844,0.0739024497,0.0739024497,GGA+U,C2,A5B6C12D_mC48_5_2a3b_3c_6c_a:Fe-Li-O-V,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_5_2a3b_5c_12c_a:Fe-Li-O-V, expected Li10VFe5O24 to be Li6VFe5O12" +mp-864432,Li6VFe5O12,-7.0638677904,-1.9702088798,0.0840639543,0.0840639543,GGA+U,C2/m,A5B6C12D_mC48_12_agh_ij_2i2j_d:Fe-Li-O-V,24.0,"Invalid WP multiplicities - A5B6C12D_mC48_12_agh_i2j_4i3j_c:Fe-Li-O-V, expected Li10V(FeO4)5 to be Li6VFe5O12" +mp-754024,LiTi2V3O10,-8.7104786866,-2.8093216727,0.0725283599,0.0725283599,GGA+U,P1,AB10C2D3_aP16_1_a_10a_2a_3a:Li-O-Ti-V,32.0,"Invalid WP multiplicities - AB10C2D3_aP16_1_a_10a_2a_6a:Li-O-Ti-V, expected LiTi2V6O10 to be LiTi2V3O10" +mp-774849,Li4V5(Fe2O9)2,-7.831985639,-2.1553500436,0.0912194125,0.0912194125,GGA+U,Pbam,A4B4C18D5_oP62_55_gh_2g_4g5h_agh:Fe-Li-O-V,62.0,"Invalid WP multiplicities - A4B4C18D5_oP62_55_3g2h_5g_12g20h_2a4g2h:Fe-Li-O-V, expected Li5V7Fe5O32 to be Li4V5(Fe2O9)2" +mp-775234,Li3V3(FeO6)2,-7.7032294937,-2.2392898055,0.0127800405,0.0127800405,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Li-O-V,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_43e_11e:Fe-Li-O-V, expected Li9V11Fe3O43 to be Li3V3(FeO6)2" +mp-581167,Ba2CaV2CuF14,-6.2239261452,-3.4803624395,0.0,-0.0178157772,GGA+U,C2/c,A2BCD14E2_mC80_15_f_e_a_7f_f:Ba-Ca-Cu-F-V,40.0,"Invalid WP multiplicities - A2BCD14E2_mC80_15_f_e_c_24f_f:Ba-Ca-Cu-F-V, expected Ba2CaV2CuF48 to be Ba2CaV2CuF14" +mp-1355181,Ba4CaV4Cu2F28,-6.117372831,-3.3548869759,0.0,-0.0104111607,GGA+U,C2,A4BC2D28E4_mC78_5_2c_a_c_14c_2c:Ba-Ca-Cu-F-V,39.0,"Invalid WP multiplicities - A4BC2D28E4_mC78_5_4c_a_c_28c_2c:Ba-Ca-Cu-F-V, expected Ba8CaV4Cu2F56 to be Ba4CaV4Cu2F28" +mp-1214695,Ba2VCu2F12,-5.62936114,-3.0377130871,0.0,-0.0339962729,GGA+U,P-1,A2B2C12D_aP17_2_i_i_6i_a:Ba-Cu-F-V,17.0,A2B2C12D_aP17_2_i_i_6i_a:Ba-Cu-F-V +mp-1228885,Ba2V2CuF12,-6.2129886035,-3.3281229388,0.0,-0.0154169965,GGA+U,P1,A2BC12D2_aP17_1_2a_a_12a_2a:Ba-Cu-F-V,17.0,A2BC12D2_aP17_1_2a_a_12a_2a:Ba-Cu-F-V +mp-7791,Li2GeF6,-5.2302762461,-3.0180820913,0.0,-0.1165800828,GGA,P4_2/mnm,A6BC2_tP18_136_fj_a_e:F-Ge-Li,18.0,"Invalid WP multiplicities - A6BC2_tP18_136_2f2j_a_e:F-Ge-Li, expected Li2GeF12 to be Li2GeF6" +mp-5368,Li2GeF6,-5.2298245444,-3.0176303896,0.0004517017,-0.1161283811,GGA,P321,A6BC2_hP27_150_3g_ad_ef:F-Ge-Li,27.0,"Invalid WP multiplicities - A6BC2_hP27_150_4g_ad_e2f:F-Ge-Li, expected Li3GeF8 to be Li2GeF6" +mp-561095,LiHo3Ge2(O4F)2,-7.5759213322,-3.3072542815,0.0015491398,0.0015491398,GGA,C2/c,A2B2C3DE8_mC64_15_f_f_ef_c_4f:F-Ge-Ho-Li-O,32.0,"Invalid WP multiplicities - A2B2C3DE8_mC64_15_f_f_e2f_c_9f:F-Ge-Ho-Li-O, expected LiHo5Ge2(O9F)2 to be LiHo3Ge2(O4F)2" +mp-15820,LiHoGe,-4.4178527756,-0.713066245,0.0,-0.0842779391,GGA,P-62m,ABC_hP9_189_ad_f_g:Ge-Ho-Li,9.0,ABC_hP9_189_ad_f_g:Ge-Ho-Li +mp-1195831,Li(HoGe)4,-5.1325289542,-0.8291212023000001,0.0,-0.0167606106,GGA,Pnma,A4B4C_oP36_62_2cd_2d_c:Ge-Ho-Li,36.0,A4B4C_oP36_62_2cd_2d_c:Ge-Ho-Li +mp-1222515,Lu2(B2Rh3)3,-7.4115290765,-0.6234689297,0.0125573749,0.0125573749,GGA,P6/mmm,A6B2C9_hP17_191_ch_e_gi:B-Lu-Rh,17.0,A6B2C9_hP17_191_ch_e_gi:B-Lu-Rh +mp-1222784,Lu5B4Rh15,-7.4473030446,-0.7895139724,0.0021833287,0.0021833287,GGA,P4/mmm,A4B5C15_tP24_123_2g_c2h_ae2g2i:B-Lu-Rh,24.0,"Invalid WP multiplicities - A4B5C15_tP24_123_3g_c3h_a2e3g6i:B-Lu-Rh, expected Lu7B6Rh35 to be Lu5B4Rh15" +mp-1187868,YLuRh2,-7.349127175,-0.9201178317,0.0205920225,0.0205920225,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Lu-Rh-Y,4.0,AB2C_cF16_225_a_c_b:Lu-Rh-Y +mp-1216004,YTh(BRh)8,-7.5918301361,-0.5790564422000001,0.0243071149,0.0243071149,GGA,P-4m2,A8B8CD_tP18_115_jk_jk_a_c:B-Rh-Th-Y,18.0,"Invalid WP multiplicities - A8B8CD_tP18_115_2jk_2jk_c_a:B-Rh-Th-Y, expected YTh(BRh)12 to be YTh(BRh)8" +mp-1216246,YLuTh2(BRh)16,-7.5306776194,-0.5719461643,0.0351678387,0.0351678387,GGA,Pmm2,A16BC16D2E_oP36_25_2e2f2g2h_a_2e2f2g2h_ad_d:B-Lu-Rh-Th-Y,36.0,"Invalid WP multiplicities - A16BC16D2E_oP36_25_4e4f4g4h_a_4e4f4g4h_ad_d:B-Lu-Rh-Th-Y, expected YLuTh2(BRh)32 to be YLuTh2(BRh)16" +mp-1222318,LuTh(BRh)8,-7.4807209628,-0.5760317463,0.0334915792,0.0334915792,GGA,P-4m2,A8BC8D_tP18_115_jk_a_jk_c:B-Lu-Rh-Th,18.0,"Invalid WP multiplicities - A8BC8D_tP18_115_2jk_c_2jk_a:B-Lu-Rh-Th, expected LuTh(BRh)12 to be LuTh(BRh)8" +mp-1211036,Lu2B6Rh,-6.9625347181,-0.6866947697,0.0,-0.0393370081,GGA,Pbam,A6B2C_oP36_55_6h_2g_g:B-Lu-Rh,36.0,A6B2C_oP36_55_6h_2g_g:B-Lu-Rh +mp-1215994,YLu(BRh)8,-7.426295705,-0.5742391072,0.0196990377,0.0196990377,GGA,P-4m2,A8BC8D_tP18_115_jk_a_jk_c:B-Lu-Rh-Y,18.0,"Invalid WP multiplicities - A8BC8D_tP18_115_2jk_c_2jk_a:B-Lu-Rh-Y, expected YLu(BRh)12 to be YLu(BRh)8" +mp-28001,Lu(BRh)4,-7.319214852,-0.5752427317000001,0.02016125,0.02016125,GGA,Ccce,A4BC4_oC108_68_3i_ae_3i:B-Lu-Rh,54.0,"Invalid WP multiplicities - A4BC4_oC108_68_4i_ae_4i:B-Lu-Rh, expected Lu3(BRh)16 to be Lu(BRh)4" +mp-1188110,Lu(BRh)4,-7.3169439761,-0.5729718557,0.0224321259,0.0224321259,GGA,P4_2/nmc,A4BC4_tP18_137_g_a_g:B-Lu-Rh,18.0,A4BC4_tP18_137_g_a_g:B-Lu-Rh +mp-1006099,Lu(BRh)4,-7.3167534119,-0.5727812916,0.0226226901,0.0226226901,GGA,I4_1/acd,A4BC4_tI72_142_g_b_g:B-Lu-Rh,36.0,A4BC4_tI72_142_g_b_g:B-Lu-Rh +mp-1025024,LuB2Rh3,-7.3682641067,-0.7061544947,0.0242557373,0.0242557373,GGA,P6/mmm,A2BC3_hP6_191_c_a_g:B-Lu-Rh,6.0,A2BC3_hP6_191_c_a_g:B-Lu-Rh +mp-3717,LuBRh3,-7.491095512,-0.8324423318,0.0,-0.059600255,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Lu-Rh,5.0,ABC3_cP5_221_b_a_c:B-Lu-Rh +mp-1210888,LuB4Rh,-7.05907273,-0.6252684844,0.0,-0.0429503318,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Lu-Rh,24.0,A4BC_oP24_55_4h_g_g:B-Lu-Rh +mp-1520860,KLaTbBiO6,-7.109525394,-2.6893860391,0.0691522655,0.0691522655,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Bi-K-La-O-Tb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_cd_6m_f:Bi-K-La-O-Tb, expected K2LaTbBiO12 to be KLaTbBiO6" +mp-1520975,KLaTbBiO6,-6.996920136,-2.5767807811,0.1817575235,0.1817575235,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-K-La-O-Tb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-K-La-O-Tb +mp-976868,NiH2SeO5,-5.6666133228,-1.133841789,0.1199285978,0.0867888019,GGA+U,C2/c,A2BC5D_mC36_15_f_a_e2f_e:H-Ni-O-Se,18.0,A2BC5D_mC36_15_f_c_e2f_e:H-Ni-O-Se +mp-23968,NiH2SeO5,-5.7865419206,-1.2537703868,0.0,-0.0331397958,GGA+U,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Ni-O-Se,36.0,A2BC5D_mC36_15_f_c_e2f_e:H-Ni-O-Se +mp-1198362,Tl2NiH12(SeO7)2,-5.3810118623,-1.2692828163,0.0,-0.0057184387,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-Se-Tl,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-Se-Tl +mp-24540,Ni3H2Se3O10,-5.9624244944,-1.2912865125,0.0,-0.0275715966,GGA+U,P-1,A2B3C10D3_aP36_2_2i_be2i_10i_3i:H-Ni-O-Se,36.0,A2B3C10D3_aP36_2_2i_be2i_10i_3i:H-Ni-O-Se +mp-24544,NiH4SeO5,-5.6070399952,-1.2815494594,0.0055404658,0.0055404658,GGA+U,P2_1/c,A4BC5D_mP44_14_4e_e_5e_e:H-Ni-O-Se,44.0,"Invalid WP multiplicities - A4BC5D_mP44_14_5e_e_11e_e:H-Ni-O-Se, expected NiH5SeO11 to be NiH4SeO5" +mp-735602,NiH10(SeO5)2,-5.2888836657,-1.1077485701,0.1621375176,0.1601405895,GGA+U,C2/c,A10BC10D2_mC92_15_5f_e_2e4f_f:H-Ni-O-Se,46.0,A10BC10D2_mC92_15_5f_e_2e4f_f:H-Ni-O-Se +mp-1181715,NiH10(SeO5)2,-5.4510211833,-1.2698860877,0.0,-0.0019969281,GGA+U,C2/c,A10BC10D2_mC92_15_5f_e_2e4f_f:H-Ni-O-Se,46.0,A10BC10D2_mC92_15_5f_e_2e4f_f:H-Ni-O-Se +mp-541211,KLaCr2O8,-7.767174975,-2.3566740848,0.0,-0.0721756477,GGA+U,P2_1/c,A2BCD8_mP48_14_2e_e_e_8e:Cr-K-La-O,48.0,A2BCD8_mP48_14_2e_e_e_8e:Cr-K-La-O +mp-1522697,KLaHfCrO6,-8.549542201,-3.015864719,0.1746282264,0.1746282264,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Cr-Hf-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Cr-Hf-K-La-O +mp-555104,Na2Er2B2O7,-7.7787405115,-3.1813487633,0.0,-0.0119823456,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Er-Na-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_4e_4e_6e_25e:B-Er-Na-O, expected Na6Er4B4O25 to be Na2Er2B2O7" +mp-1195435,Na2Er2B2TeO10,-7.4373643421,-2.8638664153,0.0,-0.0175512712,GGA,P2_1/c,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Er-Na-O-Te,34.0,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Er-Na-O-Te +mp-1028042,NaYMg14,-1.8501689919,0.0368883273,0.0763140876,0.0763140876,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Y, expected NaYMg18 to be NaYMg14" +mp-1028037,NaYMg14,-1.8652689362,0.0217883829,0.0612141432,0.0612141432,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Y, expected NaYMg26 to be NaYMg14" +mp-1022633,NaYMg6,-2.099216195,0.0746183933,0.1291395041,0.1291395041,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Y, expected NaYMg12 to be NaYMg6" +mp-1022638,NaYMg6,-2.1088537675,0.0649808208,0.1195019316,0.1195019316,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Y, expected NaYMg12 to be NaYMg6" +mp-1516370,NaY(SeO3)4,-5.7304173839,-1.2230336699,0.4824722807,0.4824722807,GGA,P4/mmm,AB12C4D_tP18_123_a_efr_i_d:Na-O-Se-Y,18.0,"Invalid WP multiplicities - AB12C4D_tP18_123_a_2e2fr_i_d:Na-O-Se-Y, expected NaY(SeO4)4 to be NaY(SeO3)4" +mp-1032844,NaYMg6O8,-6.4853162956,-2.9250546458,0.1484332952,0.1484332952,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Na-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Na-O-Y, expected NaYMg6O12 to be NaYMg6O8" +mp-1032845,NaYMg6O8,-6.5347453656,-2.9744837158,0.0990042252,0.0990042252,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Na-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Na-O-Y, expected NaYMg6O12 to be NaYMg6O8" +mp-1037632,NaYMg30O32,-6.37428122,-3.0291025221,0.0297996877,0.0297996877,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Na-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Na-O-Y, expected NaYMg110O72 to be NaYMg30O32" +mp-1037595,NaYMg30O32,-6.3719551394,-3.0267764415,0.0321257683,0.0321257683,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Na-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Na-O-Y, expected NaYMg90O80 to be NaYMg30O32" +mp-1035940,NaYMg14O16,-6.409844555,-2.9929715398,0.0707925804,0.0707925804,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Na-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Na-O-Y, expected NaYMg18O20 to be NaYMg14O16" +mp-1035917,NaYMg14O16,-6.4132740844,-2.9964010692,0.067363051,0.067363051,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Na-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Na-O-Y, expected NaYMg30O32 to be NaYMg14O16" +mp-999448,NaYSe2,-5.63978656,-1.9445817195,0.0,-0.1252861575,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-Se-Y,4.0,AB2C_hR12_166_a_c_b:Na-Se-Y +mp-17509,Rb2NaCr(CN)6,-7.6534320566,-0.2579568432,0.1549886022,0.1549886022,GGA,P2_1/c,A6BC6DE2_mP32_14_3e_a_3e_d_e:C-Cr-N-Na-Rb,32.0,A6BC6DE2_mP32_14_3e_a_3e_b_e:C-Cr-N-Na-Rb +mp-1029407,NaCrN2,-7.4868314638,-0.5746908104,0.0,-0.024218019,GGA,I-42d,AB2C_tI16_122_a_d_b:Cr-N-Na,8.0,AB2C_tI16_122_a_d_b:Cr-N-Na +mp-1029828,RbCrN2,-7.4746876141,-0.6480447659,0.0,-0.1648459324,GGA,Pbcm,AB2C_oP32_57_cd_ade_cd:Cr-N-Rb,32.0,AB2C_cF32_227_a_c_b:Cr-N-Rb +mp-1209600,RbNa2C,-1.8843247725,1.3292377655,1.3406918956,1.3406918956,GGA,Pa-3,AB2C_cP16_205_a_c_b:C-Na-Rb,16.0,AB2C_cP16_205_a_c_b:C-Na-Rb +mp-1245886,Na2CrN2,-6.01549034,-0.2212727586,0.243358734,0.243358734,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cr-N-Na,5.0,AB2C2_hP5_164_a_d_d:Cr-N-Na +mp-1029705,Na15Cr7N19,-6.506466772,-0.5112810337,0.0,-0.0583896343,GGA,P-1,A7B19C15_aP82_2_7i_19i_bd14i:Cr-N-Na,82.0,A7B19C15_aP82_2_7i_19i_bd14i:Cr-N-Na +mp-1245669,NaCrN,-6.5850020517,-0.1476461555,0.3133783228,0.3133783228,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-N-Na,12.0,ABC_oP12_62_c_c_c:Cr-N-Na +mp-1245737,NaCrN,-6.7294268200000005,-0.2920709239,0.1689535545,0.1689535545,GGA,P6_3mc,ABC_hP6_186_a_b_b:Cr-N-Na,6.0,ABC_hP6_186_a_b_b:Cr-N-Na +mp-1247493,Na6CrN4,-4.8931581532,-0.2627782504,0.067370981,0.067370981,GGA,P4_2/nmc,AB4C6_tP22_137_a_g_df:Cr-N-Na,22.0,AB4C6_tP22_137_a_g_df:Cr-N-Na +mp-20679,Co3SnC,-6.897381206,0.0152569405,0.0586285958,0.0586285958,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Co-Sn,5.0,AB3C_cP5_221_b_c_a:C-Co-Sn +mp-563000,Co3SnC12BrO12,-7.6311627071,-0.838341879,0.3803002159,0.3803002159,GGA+U,P6_3,AB12C3D12E_hP58_173_b_4c_c_4c_b:Br-C-Co-O-Sn,58.0,"Invalid WP multiplicities - AB12C3D12E_hP58_173_b_19c_c_20c_b:Br-C-Co-O-Sn, expected Co3SnC57BrO60 to be Co3SnC12BrO12" +mp-562267,Co4Sn(CO)16,-7.8190975992,-0.8123811047,0.4058632005,0.4058632005,GGA+U,F-43c,A16B4C16D_cF296_219_eh_e_eh_a:C-Co-O-Sn,74.0,"Invalid WP multiplicities - A16B4C16D_cF296_219_6e7h_e_7e8h_a:C-Co-O-Sn, expected Co4Sn(C27O31)4 to be Co4Sn(CO)16" +mp-1201444,CrN6(ClO)2,-5.4587688909,1.2014554511,1.9079121392,1.9079121392,GGA+U,Pnma,A2BC6D2_oP44_62_d_c_4cd_2c:Cl-Cr-N-O,44.0,A2BC6D2_oP44_62_d_c_4cd_2c:Cl-Cr-N-O +mp-1214206,CrN4Cl2O3,-6.3200126515,-0.1663959891,0.7137756239,0.7137756239,GGA+U,P-1,A2BC4D3_aP20_2_2i_i_4i_3i:Cl-Cr-N-O,20.0,A2BC4D3_aP20_2_2i_i_4i_3i:Cl-Cr-N-O +mp-1189071,Hg5NCl11,-2.33525684,-0.5594450747,0.3316339084,0.3316339084,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-N,17.0,A11B5C_mC34_12_ci2j_bj_a:Cl-Hg-N +mp-1181074,HgNCl3O,-3.2170874387,-0.0283417752,0.6785269338000001,0.6785269338000001,GGA,Pnma,A3BCD_oP24_62_3c_c_c_c:Cl-Hg-N-O,24.0,A3BCD_oP24_62_3c_c_c_c:Cl-Hg-N-O +mp-1192204,HgNCl3O,-3.018531845,0.1702138185,0.8770825275,0.8770825275,GGA,Pnma,A3BCD_oP24_62_3c_c_c_c:Cl-Hg-N-O,24.0,A3BCD_oP24_62_3c_c_c_c:Cl-Hg-N-O +mp-1191688,Hg3(NCl3)2,-2.3803703582,0.2264706332,1.052743872,1.052743872,GGA,Pmna,A6B3C2_oP22_53_3h_ah_h:Cl-Hg-N,22.0,A6B3C2_oP22_53_3h_ah_h:Cl-Hg-N +mp-1228351,CrHgN6Cl5,-5.2322158731,0.0922749488,0.8158462871000001,0.8158462871000001,GGA,Cc,A5BCD6_mC52_9_5a_a_a_6a:Cl-Cr-Hg-N,26.0,"Invalid WP multiplicities - A5BCD6_mC52_9_7a_a_a_12a:Cl-Cr-Hg-N, expected CrHgN12Cl7 to be CrHgN6Cl5" +mp-1202126,Hg3N4(Cl5O)2,-2.9452150532,0.3514041478,0.957303782,0.957303782,GGA,Pmma,A10B3C4D2_oP38_51_aei3j_dj_2ei_ef:Cl-Hg-N-O,38.0,A10B3C4D2_oP38_51_aei3j_dj_2ei_ef:Cl-Hg-N-O +mp-1202562,HgN2Cl4O,-3.1880558375,0.4766323583,1.00678389,1.00678389,GGA,Pbam,A4BC2D_oP32_55_ghi_e_gh_f:Cl-Hg-N-O,32.0,A4BC2D_oP32_55_ghi_e_gh_f:Cl-Hg-N-O +mp-735142,Cr2HgN2Cl2O7,-5.4737089893,-0.1446618854,1.2117091512,1.2117091512,GGA+U,P2_1/c,A2B2CD2E7_mP56_14_2e_2e_e_2e_7e:Cl-Cr-Hg-N-O,56.0,A2B2CD2E7_mP56_14_2e_2e_e_2e_7e:Cl-Cr-Hg-N-O +mp-1069250,HgNCl3,-2.32244464,0.514712414,1.1206461225,1.1206461225,GGA,P4/mmm,A3BC_tP5_123_ah_c_b:Cl-Hg-N,5.0,A3BC_tP5_123_ah_c_b:Cl-Hg-N +mp-1202660,HgN4(ClO3)2,-4.9160524583,0.2398602842,0.9486159696,0.9486159696,GGA,Pnma,A2BC4D6_oP52_62_2c_c_4c_2c2d:Cl-Hg-N-O,52.0,A2BC4D6_oP52_62_2c_c_4c_2c2d:Cl-Hg-N-O +mp-1104300,Hg3N2Cl8O,-2.3652473279,0.3003964533,1.0361499775,1.0361499775,GGA,C2/m,A8B3C2D_mC28_12_4i_ai_i_d:Cl-Hg-N-O,14.0,A8B3C2D_mC28_12_4i_ai_i_c:Cl-Hg-N-O +mp-1077462,HgNCl,-2.731234115,0.7650032017,1.3318711867,1.3318711867,GGA,Pmma,ABC_oP6_51_f_a_e:Cl-Hg-N,6.0,ABC_oP6_51_f_a_e:Cl-Hg-N +mp-1103009,HgNCl,-3.8989552442,-0.4027179275,0.1641500575,0.1641500575,GGA,Pmmn,ABC_oP12_59_e_c_e:Cl-Hg-N,12.0,ABC_oP12_59_e_c_e:Cl-Hg-N +mp-1181080,HgNCl,-3.9263647508,-0.4301274342,0.1367405508,0.1367405508,GGA,Pmmn,ABC_oP12_59_e_c_e:Cl-Hg-N,12.0,ABC_oP12_59_e_c_e:Cl-Hg-N +mp-731856,HgNCl,-3.1381297212,0.3581075954,0.9249755804,0.9249755804,GGA,Pnma,ABC_oP24_62_2c_ab_2c:Cl-Hg-N,24.0,ABC_oP24_62_2c_ab_2c:Cl-Hg-N +mp-1197255,HgN4(ClO4)2,-4.0150307167,1.1129854883,1.8646660905,1.8646660905,GGA,P2_1/c,A2BC4D8_mP60_14_2e_e_4e_8e:Cl-Hg-N-O,60.0,A2BC4D8_mP60_14_2e_e_4e_8e:Cl-Hg-N-O +mp-734002,Hg(NCl)2,-2.615089502,1.519659205,2.1255929135,2.1255929135,GGA,Cmmm,A2BC2_oC10_65_h_a_i:Cl-Hg-N,5.0,A2BC2_oC10_65_h_a_i:Cl-Hg-N +mp-1221069,NaDy(WO4)2,-8.5546522958,-2.6030621055000003,0.0294498398,0.0294498398,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Dy-Na-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Dy-Na-O-W, expected NaDy(WO6)2 to be NaDy(WO4)2" +mp-10933,Nd2TeS2,-6.353049918,-2.1625498196,0.0,-0.0160457938,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Nd-S-Te,5.0,A2B2C_hP5_164_d_d_a:Nd-S-Te +mp-1226201,Cu7Te2(SO10)2,-5.7661058365,-1.1794047901,0.0798184708,0.0798184708,GGA,P-1,A7B20C2D2_aP31_2_bcd2i_10i_i_i:Cu-O-S-Te,31.0,A7B20C2D2_aP31_2_bcd2i_10i_i_i:Cu-O-S-Te +mp-1209771,Nd2CuS2O,-5.2367813833,-0.7609330533,1.6614117002,1.6614117002,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-Nd-O-S,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-Nd-O-S +mp-1190435,Nd2CuTe2(SO7)2,-6.9098986248,-2.2694864813,0.0,-0.0085262316,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Nd-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Nd-O-S-Te +mp-542314,NdCuSO,-6.74921738,-2.2615942098,0.0106715129,0.0106715129,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-Nd-O-S,8.0,ABCD_tP8_129_a_c_b_c:Cu-Nd-O-S +mp-768996,NaBiAsCO7,-6.5971540045,-1.7173704318,0.0707523978,0.0707523978,GGA,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-Bi-C-Na-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-Bi-C-Na-O, expected NaBiAsCO13 to be NaBiAsCO7" +mp-769265,Na6Bi2As(CO4)4,-6.5699989214,-1.8687254808,0.0964377817,0.0964377817,GGA,Fd-3,AB2C4D6E16_cF232_203_a_d_e_f_eg:As-Bi-C-Na-O,58.0,"Invalid WP multiplicities - AB2C4D6E16_cF232_203_a_d_e_f_6e7g:As-Bi-C-Na-O, expected Na6Bi2As(CO27)4 to be Na6Bi2As(CO4)4" +mp-754871,Na3BiAsCO7,-6.18719497,-1.8546819018,0.0965292739,0.0965292739,GGA,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-Bi-C-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-Bi-C-Na-O, expected Na4BiAsCO13 to be Na3BiAsCO7" +mp-774869,Na5Bi2As(CO4)4,-6.6844559478,-1.8625129305,0.0863563029,0.0863563029,GGA,P1,AB2C4D5E16_aP112_1_4a_8a_16a_20a_64a:As-Bi-C-Na-O,112.0,AB2C4D5E16_aP112_1_4a_8a_16a_20a_64a:As-Bi-C-Na-O +mp-776561,Na5Bi2As(CO4)4,-6.6830338025,-1.8610907853,0.0877784481,0.0877784481,GGA,P1,AB2C4D5E16_aP112_1_4a_8a_16a_20a_64a:As-Bi-C-Na-O,112.0,AB2C4D5E16_aP112_1_4a_8a_16a_20a_64a:As-Bi-C-Na-O +mp-768253,Na5Bi2As(CO4)4,-6.689415005,-1.8674719878,0.0813972456,0.0813972456,GGA,C2/c,AB2C4D5E16_mC112_15_e_ac_2f_e2f_8f:As-Bi-C-Na-O,56.0,"Invalid WP multiplicities - AB2C4D5E16_mC112_15_e_2ac_6f_2e8f_31f:As-Bi-C-Na-O, expected Na18Bi3As(C6O31)2 to be Na5Bi2As(CO4)4" +mp-776274,Na5Bi2As(CO4)4,-6.6869276773,-1.8649846601,0.0838845733,0.0838845733,GGA,F222,AB2C4D5E16_oF224_22_ac_k_2k_efghi_8k:As-Bi-C-Na-O,56.0,"Invalid WP multiplicities - AB2C4D5E16_oF224_22_ac_k_2k_e2f2g2h2i_18k:As-Bi-C-Na-O, expected Na9Bi2As(CO9)4 to be Na5Bi2As(CO4)4" +mp-776697,Na5Bi2As(CO4)4,-6.6902419791,-1.8682989619,0.0805702715,0.0805702715,GGA,Fdd2,AB2C4D5E16_oF224_43_a_b_2b_a2b_8b:As-Bi-C-Na-O,56.0,"Invalid WP multiplicities - AB2C4D5E16_oF224_43_a_b_4b_2a7b_20b:As-Bi-C-Na-O, expected Na16Bi2As(CO5)8 to be Na5Bi2As(CO4)4" +mp-1176418,Na2BiAsCO7,-6.5313722071,-1.9480268243,0.0,-0.0217948606,GGA,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-Bi-C-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-Bi-C-Na-O, expected Na2BiAsCO13 to be Na2BiAsCO7" +mp-769047,Na4Bi2As(CO4)4,-6.7578683126,-1.8063172315,0.0851567426,0.0851567426,GGA,Fddd,AB2C4D4E16_oF216_70_a_d_h_ef_4h:As-Bi-C-Na-O,54.0,"Invalid WP multiplicities - AB2C4D4E16_oF216_70_a_d_h_2e3f_21h:As-Bi-C-Na-O, expected Na10Bi2As(CO21)4 to be Na4Bi2As(CO4)4" +mp-20794,Sr2NiWO6,-7.778598622,-2.5988600136,0.0,-0.0296115013,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Ni-O-Sr-W,20.0,AB6C2D_tI20_87_a_eh_d_b:Ni-O-Sr-W +mp-19400,Sr2NiWO6,-7.7681632335,-2.5884246251,0.0104353885,-0.0191761128,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-W,20.0,AB6C2D_cF40_225_a_e_c_b:Ni-O-Sr-W +mp-1221033,NaSr12Ni7O23,-6.2546216942,-2.1655229999,0.0648033027,0.0648033027,GGA+U,P1,AB7C23D12_aP43_1_a_7a_23a_12a:Na-Ni-O-Sr,43.0,AB7C23D12_aP43_1_a_7a_23a_12a:Na-Ni-O-Sr +mp-555286,CsNb(PO4)2,-7.9665108617,-2.8501090187,0.0,-0.0247814742,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Cs-Nb-O-P,12.0,"Invalid WP multiplicities - ABC8D2_mC24_12_a_d_4i3j_i:Cs-Nb-O-P, expected CsNb(PO10)2 to be CsNb(PO4)2" +mp-540750,CsNb(PO4)2,-7.9516713098,-2.8352694668,0.0148395519,-0.0099419223,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Cs-Nb-O-P,48.0,ABC8D2_mP48_14_e_e_8e_2e:Cs-Nb-O-P +mp-2218710,CsMgNb(PO4)2,-7.4294827646,-2.5835518288,0.2862843266,0.2862843266,GGA,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cs-Mg-Nb-O-P,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cs-Mg-Nb-O-P +mp-2218770,CsMgNb(PO4)2,-7.4332269831,-2.5872960473,0.2825401082,0.2825401082,GGA,Cm,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Cs-Mg-Nb-O-P,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_8_a_a_a_4a3b_2a:Cs-Mg-Nb-O-P, expected CsMgNb(PO5)2 to be CsMgNb(PO4)2" +mp-1229321,CsMg(PO3)3,-7.3287889321,-2.8105183361,0.0,-0.0209523139,GGA,Pc,ABC9D3_mP168_7_6a_6a_54a_18a:Cs-Mg-O-P,168.0,ABC9D3_mP168_7_6a_6a_54a_18a:Cs-Mg-O-P +mp-2713885,MgNb5(PO4)9,-8.3488567034,-2.8800856953,0.0,-0.0204172223,GGA,P3c1,AB5C36D9_hP102_158_a_a2b2c_12d_3d:Mg-Nb-O-P,102.0,AB5C36D9_hP102_158_a_a2b2c_12d_3d:Mg-Nb-O-P +mp-2215963,MgNb2(PO5)2,-8.1404700233,-2.6673778729,0.2702404008,0.2702404008,GGA,Pm,AB2C10D2_mP15_6_a_ab_3a3b2c_ab:Mg-Nb-O-P,15.0,AB2C10D2_mP15_6_a_ab_3a3b2c_ab:Mg-Nb-O-P +mp-2215922,MgNb2(PO5)2,-8.2604093107,-2.7873171603,0.1503011135,0.1503011135,GGA,C2/m,AB2C10D2_mC30_12_a_i_i2j_h:Mg-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_mC30_12_a_i_i7j_h:Mg-Nb-O-P, expected MgNb2(PO15)2 to be MgNb2(PO5)2" +mp-2232721,MgNb2(PO5)2,-8.1257814893,-2.6526893389,0.2849289348,0.2849289348,GGA,P-4,AB2C10D2_tP15_81_b_g_g2h_ac:Mg-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_81_b_g_g3h_ac:Mg-Nb-O-P, expected MgNb2(PO7)2 to be MgNb2(PO5)2" +mp-2215981,MgNb2(PO5)2,-8.1248111753,-2.6517190249,0.2858992488,0.2858992488,GGA,P-4m2,AB2C10D2_tP15_115_c_g_gjk_ab:Mg-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_115_c_g_g3j2k_ab:Mg-Nb-O-P, expected MgNb2(PO11)2 to be MgNb2(PO5)2" +mp-18329,CsMgPO4,-6.8703959189,-2.9138616655,0.0,-0.074134392,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cs-Mg-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Cs-Mg-O-P +mp-1182696,CsNb3(PO5)3,-8.338963153,-2.8098924402,0.0969534985,0.0791408492,GGA,Pnnm,AB3C15D3_oP88_58_g_3g_ac8g3h_3g:Cs-Nb-O-P,88.0,"Invalid WP multiplicities - AB3C15D3_oP88_58_g_8g_2ac29g24h_8g:Cs-Nb-O-P, expected Cs2Nb16P16O157 to be CsNb3(PO5)3" +mp-1213520,CsNb3(PO5)3,-8.4359166515,-2.9068459387,0.0,-0.0178126493,GGA,Pnnm,AB3C15D3_oP88_58_g_3g_ac8g3h_3g:Cs-Nb-O-P,88.0,AB3C15D3_oP88_58_g_3g_ac8g3h_3g:Cs-Nb-O-P +mp-1039944,NaCeMg30O32,-6.3346210241,-2.9977764192,0.0537333871,0.0537333871,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ce-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ce-Mg-Na-O, expected NaCeMg90O80 to be NaCeMg30O32" +mp-1039936,NaCeMg30O32,-6.3385433041,-3.0016986992,0.0498111071,0.0498111071,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ce-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ce-Mg-Na-O, expected NaCeMg110O72 to be NaCeMg30O32" +mp-1021210,CeMg6W,-3.2887052256,0.272907235,0.2870716894,0.2870716894,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ce-Mg-W, expected CeMg12W to be CeMg6W" +mp-1021211,CeMg6W,-3.2712907344,0.2903217262,0.3044861806,0.3044861806,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-W, expected CeMg12W to be CeMg6W" +mp-1026804,NaCeMg14,-1.7743635419,0.0793574049,0.1028943666,0.1028943666,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-Na, expected NaCeMg18 to be NaCeMg14" +mp-1026758,NaCeMg14,-1.7888376625,0.0648832843,0.0884202459,0.0884202459,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-Na, expected NaCeMg26 to be NaCeMg14" +mp-1026808,CeMg14W,-2.43640109,0.1445451653,0.1516273925,0.1516273925,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ce-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ce-Mg-W, expected CeMg18W to be CeMg14W" +mp-1026785,CeMg14W,-2.3527298662,0.2282163891,0.2352986163,0.2352986163,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ce-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ce-Mg-W, expected CeMg26W to be CeMg14W" +mp-1520572,Na2CeWO6,-7.76768038,-2.6460401561,0.0875444355,0.0875444355,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Na-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Na-O-W +mp-1021170,NaCeMg6,-1.9563774394,0.1507844042,0.1739241683,0.1739241683,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ce-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ce-Mg-Na, expected NaCeMg12 to be NaCeMg6" +mp-1099324,NaCeMg6,-1.971112275,0.1360495686,0.1591893326,0.1591893326,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ce-Mg-Na,8.0,AB6C_oC16_38_a_abde_b:Ce-Mg-Na +mp-1034907,NaCeMg14O16,-6.3324085609,-2.9322037319,0.1167755814,0.1167755814,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ce-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ce-Mg-Na-O, expected NaCeMg18O20 to be NaCeMg14O16" +mp-1034906,NaCeMg14O16,-6.3380441853,-2.9378393563,0.1111399571,0.1111399571,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ce-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ce-Mg-Na-O, expected NaCeMg30O32 to be NaCeMg14O16" +mp-1030999,NaCeMg6O8,-6.4085827069,-2.8816574295,0.1622608979,0.1622608979,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ce-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ce-Mg-Na-O, expected NaCeMg6O12 to be NaCeMg6O8" +mp-1031011,NaCeMg6O8,-6.3393906456,-2.8124653682,0.2314529591,0.2314529591,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ce-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ce-Mg-Na-O, expected NaCeMg6O12 to be NaCeMg6O8" +mp-18851,NaCr(WO4)2,-8.6197956487,-2.2476837393,0.0065355716,0.0065355716,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Cr-Na-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Cr-Na-O-W +mp-19461,Na5Nd(WO4)4,-7.8759470942,-2.4005503942,0.0009167877,0.0009167877,GGA+U,I4_1/a,A5BC16D4_tI104_88_af_b_4f_f:Na-Nd-O-W,52.0,"Invalid WP multiplicities - A5BC16D4_tI104_88_a2f_b_5f_f:Na-Nd-O-W, expected Na9Nd(WO5)4 to be Na5Nd(WO4)4" +mp-1220977,NaNd(WO4)2,-8.5592394308,-2.5942025245,0.0135795357,0.0135795357,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Na-Nd-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Na-Nd-O-W, expected NaNd(WO6)2 to be NaNd(WO4)2" +mp-1202958,Co2AsHO5,-6.7370430489,-1.5146070937,0.0,-0.0255042127,GGA+U,Pnnm,AB2CD5_oP36_58_g_eg_g_3gh:As-Co-H-O,36.0,AB2CD5_oP36_58_g_eg_g_3gh:As-Co-H-O +mp-27913,CoHO2,-6.408297285,-1.3096919694,0.0,-0.0565657734,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Co-H-O,4.0,ABC2_hR12_166_a_b_c:Co-H-O +mp-1283838,CoHO2,-6.321237785,-1.2226324694,0.0870595,0.0304937266,GGA+U,P-1,ABC2_aP16_2_2i_2i_4i:Co-H-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_3i_7i:Co-H-O, expected Co3H3O7 to be CoHO2" +mp-1276248,CoHO2,-6.2879486712,-1.1893433556,0.1203486138,0.0637828403,GGA+U,P-1,ABC2_aP16_2_abi_2i_4i:Co-H-O,16.0,"Invalid WP multiplicities - ABC2_aP16_2_ab2i_3i_7i:Co-H-O, expected Co3H3O7 to be CoHO2" +mp-1278185,CoHO2,-6.276925445,-1.1783201294,0.13137184,0.0748060666,GGA+U,Cm,ABC2_mC32_8_4a_4a_8a:Co-H-O,16.0,ABC2_aP16_1_4a_4a_8a:Co-H-O +mp-1276359,CoHO2,-6.3037847175,-1.2051794019,0.1045125675,0.0479467941,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Co-H-O,4.0,ABC2_mC8_12_a_c_i:Co-H-O +mp-2214874,CoHO2,-6.2123420188,-1.1137367031,0.1959552662,0.1393894928,GGA+U,Cmcm,ABC2_oC16_63_a_c_f:Co-H-O,8.0,ABC2_mC16_12_ad_i_2i:Co-H-O +mp-1280464,CoHO2,-6.3097622225,-1.2111569069,0.0985350625,0.0419692891,GGA+U,R-3m,ABC2_hR24_166_ab_c_2c:Co-H-O,8.0,"Invalid WP multiplicities - ABC2_mC16_12_ac_i_3i:Co-H-O, expected CoHO3 to be CoHO2" +mp-727331,CoHO2,-6.32331269,-1.2247073744,0.084984595,0.0284188216,GGA+U,P6_3/mmc,ABC2_hP8_194_a_c_f:Co-H-O,8.0,ABC2_hP8_194_a_c_f:Co-H-O +mp-626708,Co(HO)2,-5.969306164,-1.2118767025,0.071362412,0.071362412,GGA+U,P1,AB2C2_aP5_1_a_2a_2a:Co-H-O,5.0,AB2C2_aP5_1_a_2a_2a:Co-H-O +mp-625939,Co(HO)2,-5.990228596,-1.2327991345,0.05043998,0.05043998,GGA+U,C2,AB2C2_mC10_5_a_c_c:Co-H-O,5.0,AB2C2_mC10_5_a_c_c:Co-H-O +mp-1276097,Co(HO)2,-5.996471866,-1.2390424045,0.04419671,0.04419671,GGA+U,C2,AB2C2_mC10_5_a_c_c:Co-H-O,10.0,AB2C2_aP5_2_a_i_i:Co-H-O +mp-1273062,Co(HO)2,-6.004338175,-1.2469087135,0.036330401,0.036330401,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Co-H-O,10.0,AB2C2_mC10_12_a_i_i:Co-H-O +mp-1272379,Co(HO)2,-5.99647684,-1.2390473785,0.044191736,0.044191736,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Co-H-O,20.0,AB2C2_mC10_12_a_i_i:Co-H-O +mp-2665409,Co(HO)2,-6.00243382,-1.2450043585,0.038234756,0.038234756,GGA+U,C2/m,AB2C2_mC10_12_a_i_i:Co-H-O,5.0,AB2C2_aP5_2_a_i_i:Co-H-O +mp-625943,Co(HO)2,-5.792602138,-1.0351726765,0.248066438,0.248066438,GGA+U,P3m1,AB2C2_hP5_156_c_ab_ab:Co-H-O,5.0,AB2C2_hP5_156_c_ab_ab:Co-H-O +mp-24105,Co(HO)2,-6.003959594,-1.2465301325,0.036708982,0.036708982,GGA+U,P-3m1,AB2C2_hP5_164_a_d_d:Co-H-O,5.0,AB2C2_hP5_164_a_d_d:Co-H-O +mp-1292002,Co(HO)2,-6.0036778185,-1.246248357,0.0369907575,0.0369907575,GGA+U,P-3m1,AB2C2_hP5_164_a_d_d:Co-H-O,20.0,AB2C2_hP5_164_a_d_d:Co-H-O +mp-543041,FeAs(H2O3)2,-6.189834461,-1.4914864558,0.0,-0.0103380042,GGA+U,Pbca,ABC4D6_oP96_61_c_c_4c_6c:As-Fe-H-O,96.0,ABC4D6_oP96_61_c_c_4c_6c:As-Fe-H-O +mp-1225931,Fe4As4H4O19,-6.6392943323,-1.4755992305,0.077375265,0.077375265,GGA+U,P1,A4B4C4D19_aP31_1_4a_4a_4a_19a:As-Fe-H-O,31.0,A4B4C4D19_aP31_1_4a_4a_4a_19a:As-Fe-H-O +mp-1213858,Co3As2(HO)16,-5.8063558478,-1.3719281101,0.0134901377,0.0134901377,GGA+U,C2/m,A2B3C16D16_mC74_12_i_ag_4j_2i3j:As-Co-H-O,37.0,A2B3C16D16_mC74_12_i_ag_4j_2i3j:As-Co-H-O +mp-510532,Fe2CoAs2(H5O7)2,-6.1435587391,-1.4350242759,0.0316123698,0.0316123698,GGA+U,P2_1/c,A2BC2D10E14_mP58_14_e_a_e_5e_7e:As-Co-Fe-H-O,58.0,A2BC2D10E14_mP58_14_e_a_e_5e_7e:As-Co-Fe-H-O +mp-1182443,Fe2CoAs2(H5O7)2,-5.9096455369,-1.2011110737,0.265525572,0.265525572,GGA+U,P2_1/c,A2BC2D10E14_mP58_14_e_a_e_5e_7e:As-Co-Fe-H-O,58.0,"Invalid WP multiplicities - A2BC2D10E14_mP58_14_e_a_e_6e_11e:As-Co-Fe-H-O, expected Fe2CoAs2(H6O11)2 to be Fe2CoAs2(H5O7)2" +mp-1518034,BaMnSnWO6,-8.035874998,-2.2629925395,0.1072263061,0.1072263061,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mn-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mn-O-Sn-W +mp-1518946,Ba2SnWO6,-7.5707324785,-2.5221540553,0.1003371793,0.1003371793,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sn-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sn-W +mp-1518955,Ba2SnWO6,-7.560766781,-2.5121883577,0.1103028768,0.1103028768,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sn-W +mp-1202942,Mn3P3PbO12,-8.1095089145,-2.4885160197,0.0,-0.0161111184,GGA+U,Imma,A3B12C3D_oI76_74_ag_hi2j_eg_e:Mn-O-P-Pb,38.0,A3B12C3D_oI76_74_ag_hi2j_eg_e:Mn-O-P-Pb +mp-541468,MnP2PbO7,-7.8169852198,-2.514431733,0.0,-0.0137765082,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Pb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Pb +mp-1192249,Mn3TeP2Pb3O14,-7.4554739013,-2.157754773,0.0,-0.0021275189,GGA+U,P321,A3B14C2D3E_hP23_150_f_d2g_d_e_a:Mn-O-P-Pb-Te,46.0,A3B14C2D3E_hP23_150_f_d2g_d_e_a:Mn-O-P-Pb-Te +mp-1190791,Dy2Fe12P7,-7.7964906914,-0.7133027987,0.0,-0.0136375472,GGA,P-6,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Fe-P,21.0,A2B12C7_hP21_174_ad_2j2k_ejk:Dy-Fe-P +mp-18396,RbFeP2O7,-7.5266150355,-2.5353440105,0.0,-0.0434415872,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Fe-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Fe-O-P-Rb +mp-1209375,Rb3Dy(PO4)2,-7.1051214,-2.9659425599,0.0,-0.0361828654,GGA,P-3m1,AB8C2D3_hP14_164_a_di_d_bd:Dy-O-P-Rb,14.0,AB8C2D3_hP14_164_a_di_d_bd:Dy-O-P-Rb +mp-1209586,Rb2Fe2(PO4)3,-7.2191092105,-2.2453574937,0.16729036,0.16729036,GGA+U,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Fe-O-P-Rb,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:Fe-O-P-Rb +mp-1203480,Rb7DyFe6(P4O17)2,-7.4308809596,-2.5418722303,0.0,-0.0025809507,GGA+U,P-1,AB6C34D8E7_aP56_2_b_3i_17i_4i_c3i:Dy-Fe-O-P-Rb,56.0,AB6C34D8E7_aP56_2_b_3i_17i_4i_c3i:Dy-Fe-O-P-Rb +mp-1205160,Rb9Fe7(PO4)10,-7.3193521204,-2.469116838,0.0,-0.0289065627,GGA+U,P2_1/c,A7B40C10D9_mP132_14_a3e_20e_5e_d4e:Fe-O-P-Rb,132.0,A7B40C10D9_mP132_14_a3e_20e_5e_d4e:Fe-O-P-Rb +mp-1209529,RbDyP2O7,-7.78687845,-3.1468105496,0.0,-0.0161904749,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Dy-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Dy-O-P-Rb +mp-1201079,DyFe5P3,-7.761756765,-0.7398900528,0.0,-0.002532881,GGA,Pnma,AB5C3_oP36_62_c_5c_3c:Dy-Fe-P,36.0,AB5C3_oP36_62_c_5c_3c:Dy-Fe-P +mp-1522988,Na2BiWO6,-6.79275503,-1.8803748086,0.1273041253,0.1273041253,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Na-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Na-O-W +mp-22076,NaFe(WO4)2,-8.3827774487,-2.109251061,0.0028182275,0.0028182275,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Fe-Na-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Fe-Na-O-W +mp-1220818,NaBi(WO4)2,-7.9724442258,-2.084712178,0.0428793474,0.0428793474,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Bi-Na-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Bi-Na-O-W, expected NaBi(WO6)2 to be NaBi(WO4)2" +mp-557323,Na2V2ZnO7,-6.9973932179,-2.2724409416,0.0097733946,0.0097733946,GGA+U,P-42_1m,A2B7C2D_tP24_113_e_cef_e_a:Na-O-V-Zn,24.0,"Invalid WP multiplicities - A2B7C2D_tP24_113_e_2c4e4f_e_a:Na-O-V-Zn, expected Na2V2ZnO26 to be Na2V2ZnO7" +mp-706235,NaCa2V3Zn2O12,-7.2790413822,-2.5557816313,0.0,-0.0024997057,GGA+U,I4_1/acd,A2BC12D3E2_tI160_142_e_b_3g_ae_c:Ca-Na-O-V-Zn,80.0,"Invalid WP multiplicities - A2BC12D3E2_tI160_142_e_b_35g_3a2e_c:Ca-Na-O-V-Zn, expected NaCa2V7Zn2O140 to be NaCa2V3Zn2O12" +mp-1096979,NaVZnO4,-6.7002853507,-2.2070096623,0.0051076629,0.0051076629,GGA+U,P6_3,AB4CD_hP168_173_a2b3c_16c_4c_4c:Na-O-V-Zn,168.0,AB4CD_hP168_173_a2b3c_16c_4c_4c:Na-O-V-Zn +mp-2217176,MgV2CdO6,-7.385662925,-2.3485515033,0.0792499925,0.0792499925,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V +mp-2217172,MgV2CdO6,-7.388188263,-2.3510768413,0.0767246545,0.0767246545,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V +mp-2224249,MgV2CdO6,-7.344343253,-2.3072318313,0.1205696645,0.1205696645,GGA+U,Cm,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V,10.0,ABC6D2_mC20_8_a_a_6a_2a:Cd-Mg-O-V +mp-2217121,MgV2CdO6,-7.386527949,-2.3494165273,0.0783849685,0.0783849685,GGA+U,C2/m,ABC6D2_mC20_12_a_d_3i_i:Cd-Mg-O-V,10.0,"Invalid WP multiplicities - ABC6D2_mC20_12_a_c_4i_i:Cd-Mg-O-V, expected MgV2CdO8 to be MgV2CdO6" +mp-1036735,Mg30VCdO32,-6.3368120242,-2.9569802103,0.0287467436,0.0287467436,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-V, expected Mg110VCdO72 to be Mg30VCdO32" +mp-1036742,Mg30VCdO32,-6.3347567267,-2.9549249128,0.0308020411,0.0308020411,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-V, expected Mg90VCdO80 to be Mg30VCdO32" +mp-1097677,NaMg2Cd,-0.460179555,0.9013142334,0.9741413834,0.9741413834,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Na,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Na +mp-2232203,Na2MgV2Cd2O8,-6.3451648313,-2.0896693655,0.1316826795,0.1316826795,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cd-Mg-Na-O-V,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cd-Mg-Na-O-V +mp-2232365,Na2MgV2Cd2O8,-6.2780570653,-2.0225615995,0.1987904455,0.1987904455,GGA+U,Pm,A2BC2D8E2_mP15_6_c_a_ab_2a2b2c_ab:Cd-Mg-Na-O-V,15.0,"Invalid WP multiplicities - A2BC2D8E2_mP15_6_c_a_ab_2a2b4c_ab:Cd-Mg-Na-O-V, expected Na2MgV2Cd2O12 to be Na2MgV2Cd2O8" +mp-2232330,Na2MgV2Cd2O8,-6.1020703733,-1.8465749075,0.3747771375,0.3747771375,GGA+U,C2/m,A2BC2D8E2_mC30_12_i_b_ac_2ij_i:Cd-Mg-Na-O-V,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_12_i_b_ac_4i2j_i:Cd-Mg-Na-O-V, expected Na2MgV2Cd2O16 to be Na2MgV2Cd2O8" +mp-2232293,Na2MgV2Cd2O8,-6.180405698,-1.9249102322,0.2964418128,0.2964418128,GGA+U,C2/m,A2BC2D8E2_mC30_12_ac_b_i_2ij_i:Cd-Mg-Na-O-V,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_12_ac_b_i_3ij_i:Cd-Mg-Na-O-V, expected Na2MgV2Cd2O10 to be Na2MgV2Cd2O8" +mp-2232489,Na2MgV2Cd2O8,-6.28164683,-2.0261513642,0.1952006808,0.1952006808,GGA+U,Amm2,A2BC2D8E2_oC30_38_ab_a_c_2cde_ab:Cd-Mg-Na-O-V,15.0,A2BC2D8E2_oC30_38_ab_a_c_2cde_ab:Cd-Mg-Na-O-V +mp-2224154,NaMgVO3,-6.5596168533,-2.0851539288,0.4970455108,0.4970455108,GGA+U,P4mm,ABC3D_tP6_99_a_a_bc_b:Mg-Na-O-V,6.0,"Invalid WP multiplicities - ABC3D_tP6_99_a_a_b2c_b:Mg-Na-O-V, expected NaMgVO5 to be NaMgVO3" +mp-2223688,NaMgVO3,-6.46902464,-1.9945617155,0.5876377242,0.5876377242,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Mg-Na-O-V,6.0,ABC3D_hR18_160_a_a_b_a:Mg-Na-O-V +mp-1017287,NaMg6Cd,-1.4666121394,0.0142747798,0.0660252636,0.0660252636,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Na, expected NaMg12Cd to be NaMg6Cd" +mp-1017291,NaMg6Cd,-1.466296345,0.0145905742,0.0663410579,0.0663410579,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Na, expected NaMg12Cd to be NaMg6Cd" +mp-1026653,NaMg14Cd,-1.5307821194,0.0098013652,0.0494833988,0.0494833988,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Na, expected NaMg18Cd to be NaMg14Cd" +mp-1026646,NaMg14Cd,-1.52737541,0.0132080746,0.0528901081,0.0528901081,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Na, expected NaMg26Cd to be NaMg14Cd" +mp-2218266,MgV2Cd2O7,-6.8097743442,-2.1230499534,0.1276759112,0.1276759112,GGA+U,P1,A2BC7D2_aP12_1_2a_a_7a_2a:Cd-Mg-O-V,12.0,A2BC7D2_aP12_1_2a_a_7a_2a:Cd-Mg-O-V +mp-2218250,MgV2Cd2O7,-6.8144006567,-2.1276762659,0.1230495987,0.1230495987,GGA+U,C2,A2BC7D2_mC24_5_2b_a_a3c_c:Cd-Mg-O-V,12.0,A2BC7D2_mC24_5_2b_a_a3c_c:Cd-Mg-O-V +mp-2218264,MgV2Cd2O7,-6.7968774675,-2.1101530768,0.1405727879,0.1405727879,GGA+U,Cm,A2BC7D2_mC24_8_b_a_3a2b_2a:Cd-Mg-O-V,12.0,"Invalid WP multiplicities - A2BC7D2_mC24_8_b_a_3a3b_2a:Cd-Mg-O-V, expected MgV2Cd2O9 to be MgV2Cd2O7" +mp-1021681,Mg6VCd,-2.3270470531,0.1240124631,0.1757629469,0.1757629469,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-V, expected Mg12VCd to be Mg6VCd" +mp-1021679,Mg6VCd,-2.3307425794,0.1203169369,0.1720674206,0.1720674206,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-V, expected Mg12VCd to be Mg6VCd" +mp-19449,NaVCdO4,-6.5753473264,-2.1301936167,0.0,-0.0339913674,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Cd-Na-O-V,14.0,ABC4D_oC28_63_a_c_fg_c:Cd-Na-O-V +mp-560259,NaVCdO4,-6.5268563471,-2.0817026374,0.0484909793,0.0144996119,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Cd-Na-O-V,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_a_f2g_c:Cd-Na-O-V, expected NaVCdO6 to be NaVCdO4" +mp-2232633,NaMgV4O10,-7.9592437475,-2.4139114515,0.1277842259,0.1277842259,GGA+U,P-1,ABC10D4_aP16_2_a_e_5i_2i:Mg-Na-O-V,16.0,"Invalid WP multiplicities - ABC10D4_aP16_2_a_e_9i_3i:Mg-Na-O-V, expected NaMgV6O18 to be NaMgV4O10" +mp-2232710,NaMgV4O10,-7.671305265,-2.125972969,0.4157227084,0.4157227084,GGA+U,C2/m,ABC10D4_mC32_12_a_b_5i_2i:Mg-Na-O-V,16.0,"Invalid WP multiplicities - ABC10D4_mC32_12_a_b_9i_3i:Mg-Na-O-V, expected NaMgV6O18 to be NaMgV4O10" +mp-1021683,NaMg6V,-2.2644417306,0.2365722273,0.2545228467,0.2545228467,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-V, expected NaMg12V to be NaMg6V" +mp-1021684,NaMg6V,-2.2579322575,0.2430817004,0.2610323199,0.2610323199,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-V, expected NaMg12V to be NaMg6V" +mp-2231854,Na8MgV2O8,-5.5980568811,-1.9179619217,0.1144319538,0.1144319538,GGA+U,P1,AB8C8D2_aP19_1_a_8a_8a_2a:Mg-Na-O-V,19.0,AB8C8D2_aP19_1_a_8a_8a_2a:Mg-Na-O-V +mp-2231409,Na8MgV2O8,-5.5730239342,-1.8929289749,0.1394649007,0.1394649007,GGA+U,P1,AB8C8D2_aP19_1_a_8a_8a_2a:Mg-Na-O-V,19.0,AB8C8D2_aP19_1_a_8a_8a_2a:Mg-Na-O-V +mp-1031606,Mg6VCdO8,-6.3512558169,-2.6523817031,0.1284052144,0.1284052144,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-V, expected Mg6VCdO12 to be Mg6VCdO8" +mp-1031621,Mg6VCdO8,-6.3422982594,-2.6434241456,0.1373627719,0.1373627719,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-V, expected Mg6VCdO12 to be Mg6VCdO8" +mp-1028289,Mg14VCd,-1.9646354094,0.0610343737,0.1007164073,0.1007164073,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-V, expected Mg18VCd to be Mg14VCd" +mp-1028286,Mg14VCd,-1.9660756006,0.0595941825,0.0992762161,0.0992762161,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-V, expected Mg26VCd to be Mg14VCd" +mp-541220,NaMg4V3O12,-7.436366475,-2.7195850631000003,0.0,-0.0208901867,GGA+U,I-42d,A4BC12D3_tI80_122_cd_a_3e_bd:Mg-Na-O-V,40.0,A4BC12D3_tI80_122_cd_a_3e_bd:Mg-Na-O-V +mp-555794,NaMg2V3O10,-7.6696321072,-2.5920264374,0.0,-0.0046763066,GGA+U,P-1,A2BC10D3_aP32_2_2i_i_10i_3i:Mg-Na-O-V,32.0,"Invalid WP multiplicities - A2BC10D3_aP32_2_2i_i_18i_3i:Mg-Na-O-V, expected NaMg2V3O18 to be NaMg2V3O10" +mp-1095981,NaMgCd2,-0.4497757575,0.7423704584,0.8203889638,0.8203889638,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Mg-Na,4.0,A2BC_oI8_71_e_a_b:Cd-Mg-Na +mp-1210549,Na3Mg2V3O12,-7.0380103251,-2.3490043889,0.0649616762,0.0649616762,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Mg-Na-O-V,80.0,A2B3C12D3_cI160_230_a_c_h_d:Mg-Na-O-V +mp-2233449,Na4MgV2O6,-6.3075389423,-2.0968985091,0.1690530034,0.1690530034,GGA+U,P1,AB4C6D2_aP13_1_a_4a_6a_2a:Mg-Na-O-V,13.0,AB4C6D2_aP13_1_a_4a_6a_2a:Mg-Na-O-V +mp-2233672,Na4MgV2O6,-6.3552451931,-2.1446047599,0.1213467526,0.1213467526,GGA+U,P1,AB4C6D2_aP13_1_a_4a_6a_2a:Mg-Na-O-V,13.0,AB4C6D2_aP13_1_a_4a_6a_2a:Mg-Na-O-V +mp-2233531,Na4MgV2O6,-6.2696678146,-2.0590273814,0.2069241311,0.2069241311,GGA+U,P-1,AB4C6D2_aP13_2_e_bci_3i_i:Mg-Na-O-V,13.0,"Invalid WP multiplicities - AB4C6D2_aP13_2_e_bci_6i_i:Mg-Na-O-V, expected Na4MgV2O12 to be Na4MgV2O6" +mp-2227682,Na4MgV2O6,-6.2845579008,-2.0739174676,0.1920340449,0.1920340449,GGA+U,Cm,AB4C6D2_mC26_8_a_2b_2a2b_2a:Mg-Na-O-V,13.0,"Invalid WP multiplicities - AB4C6D2_mC26_8_a_3b_2a4b_2a:Mg-Na-O-V, expected Na6MgV2O10 to be Na4MgV2O6" +mp-2233518,Na4MgV2O6,-6.2531632785,-2.0425228453,0.2234286672,0.2234286672,GGA+U,Cm,AB4C6D2_mC26_8_a_2ab_2a2b_b:Mg-Na-O-V,13.0,AB4C6D2_mC26_8_a_2ab_2a2b_b:Mg-Na-O-V +mp-2229148,Na6MgV2O8,-6.1087080724,-2.1512519758,0.1149591149,0.1149591149,GGA+U,P1,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-V,17.0,AB6C8D2_aP17_1_a_6a_8a_2a:Mg-Na-O-V +mp-2229093,Na6MgV2O8,-6.0809256788,-2.1234695823,0.1427415084,0.1427415084,GGA+U,Pm,AB6C8D2_mP17_6_a_ab2c_2a2b2c_ab:Mg-Na-O-V,17.0,"Invalid WP multiplicities - AB6C8D2_mP17_6_a_ab4c_2a2b4c_ab:Mg-Na-O-V, expected Na10MgV2O12 to be Na6MgV2O8" +mp-2229081,Na6MgV2O8,-6.0963473912,-2.1388912947,0.127319796,0.127319796,GGA+U,Pm,AB6C8D2_mP17_6_a_ab2c_2a2b2c_ab:Mg-Na-O-V,17.0,"Invalid WP multiplicities - AB6C8D2_mP17_6_a_ab4c_2a2b4c_ab:Mg-Na-O-V, expected Na10MgV2O12 to be Na6MgV2O8" +mp-1028311,NaMg14V,-1.9307569081,0.1198900958,0.1408324852,0.1408324852,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-V, expected NaMg18V to be NaMg14V" +mp-1028303,NaMg14V,-1.9377730156,0.1128739883,0.1338163777,0.1338163777,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-V, expected NaMg26V to be NaMg14V" +mp-1638843,NaV4Cd3O12,-7.070621563,-2.0812673936,0.0764067805,0.0764067805,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Cd-Na-O-V,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Cd-Na-O-V +mp-1220917,NaV4Cd3O12,-7.0532175715,-2.0638634021,0.093810772,0.093810772,GGA+U,Pm,A3BC12D4_mP20_6_a2b_a_2a2b4c_2c:Cd-Na-O-V,20.0,"Invalid WP multiplicities - A3BC12D4_mP20_6_a2b_a_2a2b8c_4c:Cd-Na-O-V, expected NaV8Cd3O20 to be NaV4Cd3O12" +mp-1034452,Mg14VCdO16,-6.3368916428,-2.8507123956,0.0667012128,0.0667012128,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-V, expected Mg18VCdO20 to be Mg14VCdO16" +mp-1034404,Mg14VCdO16,-6.3411294928,-2.8549502456,0.0624633628,0.0624633628,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-V, expected Mg30VCdO32 to be Mg14VCdO16" +mp-2228976,Na2MgV4O10,-7.6143510059,-2.3174191218,0.2111492673,0.2111492673,GGA+U,Amm2,AB2C10D4_oC34_38_a_ab_ab4c_2c:Mg-Na-O-V,17.0,AB2C10D4_oC34_38_a_ab_ab4c_2c:Mg-Na-O-V +mp-2230617,Na4MgV4O10,-7.1132172532,-2.2346439576,0.2230127811,0.2230127811,GGA+U,P1,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Na-O-V,19.0,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Na-O-V +mp-2230496,Na4MgV4O10,-7.08854145,-2.2099681544,0.2476885843,0.2476885843,GGA+U,P1,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Na-O-V,19.0,AB4C10D4_aP19_1_a_4a_10a_4a:Mg-Na-O-V +mp-2230535,Na4MgV4O10,-7.1315660974,-2.2529928018,0.2046639369,0.2046639369,GGA+U,C2,AB4C10D4_mC38_5_a_2c_5c_abc:Mg-Na-O-V,19.0,AB4C10D4_mC38_5_a_2c_5c_abc:Mg-Na-O-V +mp-2217388,Na3MgVO4,-5.8689067356,-2.0424048639,0.1878455388,0.1878455388,GGA+U,Cm,AB3C4D_mC18_8_a_ab_2ab_a:Mg-Na-O-V,9.0,AB3C4D_mC18_8_a_ab_2ab_a:Mg-Na-O-V +mp-2217255,Na3MgVO4,-5.8041978056,-1.9776959339,0.2525544688,0.2525544688,GGA+U,I222,AB3C4D_oI18_23_c_af_k_b:Mg-Na-O-V,9.0,AB3C4D_oI18_23_c_af_k_b:Mg-Na-O-V +mp-2217178,Na3MgVO4,-5.8460175444,-2.0195156727,0.2107347299,0.2107347299,GGA+U,Fmm2,AB3C4D_oF36_42_a_ab_cd_a:Mg-Na-O-V,9.0,"Invalid WP multiplicities - AB3C4D_oF36_42_a_ab_2cd_a:Mg-Na-O-V, expected Na3MgVO6 to be Na3MgVO4" +mp-1195763,Sm(Al10V)2,-4.4504203815,-0.1983371261,0.0,-0.0111266718,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Sm-V,46.0,A20BC2_cF184_227_cfg_a_d:Al-Sm-V +mp-1208936,Sm6Al39V8,-4.966986129,-0.3054724924,0.0565267277,0.0565267277,GGA,P6_3/mcm,A39B6C8_hP106_193_gij2kl_k_bgh:Al-Sm-V,106.0,A39B6C8_hP106_193_gij2kl_k_bgh:Al-Sm-V +mp-1208892,Sm6Al43V4,-4.5716456165,-0.3130248282,0.0,-0.0147188446,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Sm-V +mp-1210666,Na3SmV2O8,-7.4108236017,-2.6660033270000003,0.0129870848,0.0129870848,GGA+U,Cc,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Sm-V,84.0,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Sm-V +mp-1210292,Na3SmV2O8,-7.3394244086,-2.5946041339,0.0843862779,0.0843862779,GGA+U,P-3m1,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Sm-V,14.0,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Sm-V +mp-1523362,NaSmV4O12,-8.0923570144,-2.4403014454,0.1853180578,0.1853180578,GGA+U,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Na-O-Sm-V,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Na-O-Sm-V, expected NaSmV4O16 to be NaSmV4O12" +mp-565518,NaV3(FeO4)3,-8.0844649263,-2.1189611543,0.006910897,0.006910897,GGA+U,P1,A3BC12D3_aP38_1_6a_2a_24a_6a:Fe-Na-O-V,38.0,A3BC12D3_aP38_1_6a_2a_24a_6a:Fe-Na-O-V +mp-1219885,Pr2VFeO6,-8.6706007375,-2.9910136317,0.0,-0.0075144212,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Pr-V,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Fe-O-Pr-V, expected Pr2VFeO10 to be Pr2VFeO6" +mp-1210734,Na3PrV2O8,-7.4062637094,-2.6569920333,0.0119304677,0.0119304677,GGA+U,Cc,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Pr-V,84.0,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Pr-V +mp-1211038,Na3PrV2O8,-7.4071945593,-2.6579228832,0.0109996179,0.0109996179,GGA+U,Pca2_1,A3B8CD2_oP112_29_6a_16a_2a_4a:Na-O-Pr-V,112.0,A3B8CD2_oP112_29_6a_16a_2a_4a:Na-O-Pr-V +mp-1210277,Na3PrV2O8,-7.3133782864,-2.5641066103,0.1048158907,0.1048158907,GGA+U,P-3m1,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Pr-V,14.0,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Pr-V +mp-1517117,NaPrV4O12,-8.0964005633,-2.4408827931,0.1769061128,0.1769061128,GGA+U,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Na-O-Pr-V,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Na-O-Pr-V, expected NaPrV4O16 to be NaPrV4O12" +mp-1192370,Na5Pr4Si4O16F,-7.542869033,-3.2596683678,0.0,-0.0370052729,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Pr-Si,30.0,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Pr-Si +mp-3775,Na2SiF6,-5.5467017093,-3.3756747735,0.0,-0.139404727,GGA,P321,A6B2C_hP27_150_3g_ef_ad:F-Na-Si,27.0,"Invalid WP multiplicities - A6B2C_hP27_150_4g_ef_ad:F-Na-Si, expected Na2SiF8 to be Na2SiF6" +mp-17939,Na2SiF6,-5.4876912563,-3.3166643205,0.059010453,-0.0803942741,GGA,P-3m1,A6B2C_hP27_164_3i_g_ad:F-Na-Si,27.0,"Invalid WP multiplicities - A6B2C_hP27_164_4i_g_ad:F-Na-Si, expected Na2SiF8 to be Na2SiF6" +mp-1209896,Ni(H3Cl)2,-3.5187730556,-0.2039323589,0.186335625,0.186335625,GGA,C2/m,A2B6C_mC18_12_i_ij_a:Cl-H-Ni,9.0,A2B6C_mC18_12_i_ij_a:Cl-H-Ni +mp-24231,NiH12(ClO3)2,-5.05394809,-1.2506121468,0.0,-0.0012451723,GGA+U,C2/m,A2B12CD6_mC42_12_i_2i2j_a_ij:Cl-H-Ni-O,21.0,A2B12CD6_mC42_12_i_2i2j_a_ij:Cl-H-Ni-O +mp-727638,NiH12(ClO6)2,-4.530710309,-0.4732959729,0.5847008643,0.5763113154,GGA+U,Pa-3,A2B12CD12_cP108_205_c_2d_a_2d:Cl-H-Ni-O,108.0,A2B12CD12_cP108_205_c_2d_a_2d:Cl-H-Ni-O +mp-1180537,NiH12(ClO6)2,-5.1154111732,-1.0579968371,0.0,-0.0083895489,GGA+U,Pa-3,A2B12CD12_cP108_205_c_2d_a_2d:Cl-H-Ni-O,108.0,A2B12CD12_cP108_205_c_2d_a_2d:Cl-H-Ni-O +mp-1220246,NiH8(ClO2)2,-4.9966770365,-1.2362921562,5.54255e-05,5.54255e-05,GGA+U,Pc,A2B8CD4_mP60_7_4a_16a_2a_8a:Cl-H-Ni-O,60.0,A2B8CD4_mP60_7_4a_16a_2a_8a:Cl-H-Ni-O +mp-735531,NiH8(ClO2)2,-4.9737888173,-1.213403937,0.0229436447,0.0229436447,GGA+U,P2_1/c,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Ni-O,60.0,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Ni-O +mp-24088,NiH8(ClO2)2,-4.9936694562,-1.2332845758,0.0030630058,0.0030630058,GGA+U,P2_1/c,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Ni-O,60.0,"Invalid WP multiplicities - A2B8CD4_mP60_14_2e_11e_e_4e:Cl-H-Ni-O, expected NiH11(ClO2)2 to be NiH8(ClO2)2" +mp-1195170,Ni5H2Se6(ClO4)4,-5.5809134592,-1.2414355691,0.0,-0.0113808921,GGA+U,C2/c,A4B2C5D16E6_mC132_15_2f_f_a2f_8f_3f:Cl-H-Ni-O-Se,66.0,A4B2C5D16E6_mC132_15_2f_f_c2f_8f_3f:Cl-H-Ni-O-Se +mp-861113,NiH16(ClO8)2,-5.1181120334,-1.0350307163,0.0142236115,0.0142236115,GGA+U,P2_1/c,A2B16CD16_mP70_14_e_8e_a_8e:Cl-H-Ni-O,70.0,"Invalid WP multiplicities - A2B16CD16_mP70_14_e_31e_a_29e:Cl-H-Ni-O, expected NiH62(ClO29)2 to be NiH16(ClO8)2" +mp-1196111,NiH2(ClO2)2,-4.3458423081,-0.3403515375,0.5556221775,0.5556221775,GGA+U,P2_1/c,A2B2CD4_mP36_14_2e_2e_e_4e:Cl-H-Ni-O,36.0,A2B2CD4_mP36_14_2e_2e_e_4e:Cl-H-Ni-O +mp-1210104,Ni(H2Cl)2,-3.0736463014,0.2189414386,0.7207145607000001,0.7207145607000001,GGA,P4/mmm,A2B4C_tP21_123_efg_2ht_ah:Cl-H-Ni,21.0,A2B4C_tP21_123_efg_2ht_ah:Cl-H-Ni +mp-1228884,CsH3(SeO3)2,-5.3837389808000005,-1.4049443367,0.0,-0.0300996555,GGA,P1,AB3C6D2_aP24_1_2a_6a_12a_4a:Cs-H-O-Se,24.0,AB3C6D2_aP24_1_2a_6a_12a_4a:Cs-H-O-Se +mp-24141,CsHSeO4,-5.4522259307,-1.5135409679,0.0,-0.0162104592,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-Se,28.0,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-Se +mp-1226153,Cs3H(SeO4)2,-5.4256443143,-1.6653396138,0.0020596432,-0.0043383725,GGA,Cm,A3BC8D2_mC28_8_3a_a_4a2b_2a:Cs-H-O-Se,14.0,A3BC8D2_mC28_8_3a_a_4a2b_2a:Cs-H-O-Se +mp-1226195,Cs3H(SeO4)2,-5.4277039575,-1.667399257,0.0,-0.0063980157,GGA,Cc,A3BC8D2_mC56_9_3a_a_8a_2a:Cs-H-O-Se,28.0,A3BC8D2_mC56_9_3a_a_8a_2a:Cs-H-O-Se +mp-1181702,Cs3H(SeO4)2,-5.42607185,-1.6657671495000002,0.0016321075,-0.0047659082,GGA,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:Cs-H-O-Se,28.0,A3BC8D2_mP28_11_3e_e_4e2f_2e:Cs-H-O-Se +mp-23980,Cs3H(SeO4)2,-5.4248781064,-1.664573406,0.0028258511,-0.0035721646,GGA,C2/m,A3BC8D2_mC28_12_ai_b_2ij_i:Cs-H-O-Se,14.0,A3BC8D2_mC28_12_ai_b_2ij_i:Cs-H-O-Se +mp-1192732,Cs3H(SeO4)2,-5.4271197911,-1.6668150906,0.0005841664,-0.0058138493,GGA,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:Cs-H-O-Se,28.0,A3BC8D2_mC56_15_ef_c_4f_f:Cs-H-O-Se +mp-1178417,CsH3(SeO4)2,-5.3358289704,-1.2187637452,0.1084980152,0.0904149582,GGA,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Cs-H-O-Se,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_5e_27e_7e:Cs-H-O-Se, expected CsH5Se7O27 to be CsH3(SeO4)2" +mp-1197584,CsH3(SeO4)2,-5.4443269855,-1.3272617604,0.0,-0.018083057,GGA,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Cs-H-O-Se,56.0,AB3C8D2_mP56_14_e_3e_8e_2e:Cs-H-O-Se +mp-1203613,Cs3AsSe4O,-4.0575508778,-1.1380330841,0.0904482346,0.0904482346,GGA,P2_1/c,AB3CD4_mP36_14_e_3e_e_4e:As-Cs-O-Se,36.0,AB3CD4_mP36_14_e_3e_e_4e:As-Cs-O-Se +mp-1197340,Cs4AsH5Se3O16,-5.5302545643,-1.5702851874,0.0010724562,0.0010724562,GGA,P2_1,AB4C5D16E3_mP58_4_a_4a_5a_16a_3a:As-Cs-H-O-Se,58.0,AB4C5D16E3_mP58_4_a_4a_5a_16a_3a:As-Cs-H-O-Se +mp-1192609,Cs2As2Se6O,-4.1143728477,-0.7479001994000001,0.1962301832,0.1962301832,GGA,C2/c,A2B2CD6_mC44_15_f_f_e_3f:As-Cs-O-Se,22.0,A2B2CD6_mC44_15_f_f_e_3f:As-Cs-O-Se +mp-1226376,Cs2AsH3SeO8,-5.6051547043,-1.6253198742,0.0,-0.0020535574,GGA,P-1,AB2C3D8E_aP30_2_i_2i_be2i_8i_i:As-Cs-H-O-Se,30.0,"Invalid WP multiplicities - AB2C3D8E_aP30_2_i_4i_be4i_16i_i:As-Cs-H-O-Se, expected Cs4AsH5SeO16 to be Cs2AsH3SeO8" +mp-757290,MgH12SeO10,-5.4011797662,-1.4313551337,0.0075408232,0.0075408232,GGA,C2/c,A12BC10D_mC192_15_12f_ae_10f_f:H-Mg-O-Se,96.0,"Invalid WP multiplicities - A12BC10D_mC192_15_47f_2c2e_39f_f:H-Mg-O-Se, expected Mg2H47SeO39 to be MgH12SeO10" +mp-779875,Cs2MgH12(SeO7)2,-5.413482786,-1.5312485199,0.0,-0.0089022757,GGA,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mg-O-Se,62.0,"Invalid WP multiplicities - A2B12CD14E2_mP62_14_e_21e_a_25e_e:Cs-H-Mg-O-Se, expected Cs2MgH42(SeO25)2 to be Cs2MgH12(SeO7)2" +mp-1180923,MgH12SeO9,-5.0992197252,-1.171867444,0.2816230409,0.2805300413,GGA,P1,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-Se,23.0,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-Se +mp-504894,MgH12SeO9,-5.3808427661,-1.4534904848,0.0,-0.0010929996,GGA,R3,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-Se,23.0,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-Se +mp-1211090,Mg3H6SeO3,-4.4333094954,-1.0876807237,0.3843963208,0.3843963208,GGA,P1,A6B3C3D_aP13_1_6a_3a_3a_a:H-Mg-O-Se,13.0,A6B3C3D_aP13_1_6a_3a_3a_a:H-Mg-O-Se +mp-1237047,Mg3H6SeO3,-4.5817128846,-1.236084113,0.2359929315,0.2359929315,GGA,P1,A6B3C3D_aP13_1_6a_3a_3a_a:H-Mg-O-Se,13.0,A6B3C3D_aP13_1_6a_3a_3a_a:H-Mg-O-Se +mp-23966,MgH2SeO5,-5.7686422039,-1.7002991846,0.0,-0.0217626617,GGA,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Mg-O-Se,18.0,A2BC5D_mC36_15_f_a_e2f_e:H-Mg-O-Se +mp-24578,MgH10(SeO5)2,-5.446675403,-1.4472732044,0.0017082499,0.0017082499,GGA,C2/c,A10BC10D2_mC92_15_5f_e_2e4f_f:H-Mg-O-Se,46.0,"Invalid WP multiplicities - A10BC10D2_mC92_15_6f_e_2e4f_f:H-Mg-O-Se, expected MgH12(SeO5)2 to be MgH10(SeO5)2" +mp-1203506,Mg2H18Se2O17,-5.4454888251,-1.4620231852,0.0130670648,0.0130670648,GGA,P2_1/c,A18B2C17D2_mP156_14_18e_2e_17e_2e:H-Mg-O-Se,156.0,A18B2C17D2_mP156_14_18e_2e_17e_2e:H-Mg-O-Se +mp-24546,MgH2(SeO4)2,-5.7054596273,-1.4784546438,0.0,-0.0182656006,GGA,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:H-Mg-O-Se,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_14_e_a_5e_e:H-Mg-O-Se, expected MgH2(SeO5)2 to be MgH2(SeO4)2" +mp-1211220,Mg3H12SeO9,-4.768813856,-1.0276273532,0.6399286046,0.6399286046,GGA,P1,A12B3C9D_aP25_1_12a_3a_9a_a:H-Mg-O-Se,25.0,A12B3C9D_aP25_1_12a_3a_9a_a:H-Mg-O-Se +mp-697236,MgH2(SeO3)2,-5.7248532127,-1.6286998161,0.0023842934,0.0023842934,GGA,P2_1/c,A2BC6D2_mP22_14_e_a_3e_e:H-Mg-O-Se,22.0,A2BC6D2_mP22_14_e_a_3e_e:H-Mg-O-Se +mp-1201071,MgH14SeO11,-5.3801214068,-1.4168646667,0.0046044084,0.0046044084,GGA,P2_12_12_1,A14BC11D_oP108_19_14a_a_11a_a:H-Mg-O-Se,108.0,A14BC11D_oP108_19_14a_a_11a_a:H-Mg-O-Se +mp-1197058,MgH4SeO5,-5.5837302891,-1.6382267196,0.0,-0.0095705315,GGA,P2_1/c,A4BC5D_mP44_14_4e_e_5e_e:H-Mg-O-Se,44.0,A4BC5D_mP44_14_4e_e_5e_e:H-Mg-O-Se +mp-1200277,Cs2Mg(SeO7)2,-4.8438327658,-0.6524354128000001,0.6058789605,0.6058789605,GGA,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:Cs-Mg-O-Se,38.0,A2BC14D2_mP38_14_e_a_7e_e:Cs-Mg-O-Se +mp-1223672,K2Ba(BiO3)3,-5.799514288,-1.7874183797,0.0209399282,0.0209399282,GGA,P-3m1,AB3C2D9_hP15_164_a_bd_d_ei:Ba-Bi-K-O,15.0,"Invalid WP multiplicities - AB3C2D9_hP15_164_a_bd_d_3e4i:Ba-Bi-K-O, expected K2Ba(BiO11)3 to be K2Ba(BiO3)3" +mp-1223544,KBa2Bi2O9,-5.7154827786,-1.6333738151,0.2034724324,0.2034724324,GGA,P-3m1,A2B2CD9_hP14_164_d_d_a_ei:Ba-Bi-K-O,14.0,"Invalid WP multiplicities - A2B2CD9_hP14_164_d_d_a_3e3i:Ba-Bi-K-O, expected KBa2Bi2O27 to be KBa2Bi2O9" +mp-1223506,KBa2Bi2O7,-6.0692022975,-2.1311899587,0.0,-0.022601437,GGA,I4mm,A2B2CD7_tI24_107_2a_2a_a_3a2b:Ba-Bi-K-O,12.0,A2B2CD7_tI24_107_2a_2a_a_3a2b:Ba-Bi-K-O +mp-1516591,KBaPrBiO6,-6.465003578,-2.3319134740000003,0.051506956,0.051506956,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-K-O-Pr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-K-O-Pr, expected K2BaPrBiO12 to be KBaPrBiO6" +mp-1516766,KBaPrBiO6,-6.4564734040000005,-2.3233833,0.06003713,0.06003713,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-Pr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-Pr +mp-1223500,KBa3(BiO3)4,-6.1639688795,-2.0844916384,0.0,-0.0026818155,GGA,Pmm2,A3B4CD12_oP20_25_abc_ef_d_abcd2i:Ba-Bi-K-O,20.0,"Invalid WP multiplicities - A3B4CD12_oP20_25_abc_2e2f_d_abcd5i:Ba-Bi-K-O, expected KBa3(BiO3)8 to be KBa3(BiO3)4" +mp-1223518,KBa2(BiO3)3,-6.093714264,-2.0277132894,0.0015516828,0.0015516828,GGA,P-3m1,A2B3CD9_hP15_164_d_bd_a_ei:Ba-Bi-K-O,15.0,"Invalid WP multiplicities - A2B3CD9_hP15_164_d_bd_a_3e4i:Ba-Bi-K-O, expected KBa2(BiO11)3 to be KBa2(BiO3)3" +mp-686204,K3Ba2Pr2(BiO5)3,-6.2546113368,-2.1565010852,0.0677255875,0.0677255875,GGA,R-3m,A2B3C3D15E2_hR150_166_2c_ab2c_3c_5h_2c:Ba-Bi-K-O-Pr,50.0,"Invalid WP multiplicities - A2B3C3D15E2_hR150_166_3c_ab4c_5c_24h_3c:Ba-Bi-K-O-Pr, expected K5Ba3Pr3Bi5O72 to be K3Ba2Pr2(BiO5)3" +mp-23571,KBa4Bi3O,-4.1278920094,-1.3218414752,0.0,-0.0463434696,GGA,I4/mcm,A4B3CD_tI36_140_l_ah_c_b:Ba-Bi-K-O,18.0,"Invalid WP multiplicities - A4B3CD_tI36_140_l_a2h_c_b:Ba-Bi-K-O, expected KBa4Bi5O to be KBa4Bi3O" +mp-1194742,Ba3B3Pb2BrO9,-7.1468530075,-2.7416518406,0.0,-0.0126975868,GGA,C222_1,A3B3CD9E2_oC72_20_ac_a2b_b_a4c_c:B-Ba-Br-O-Pb,36.0,A3B3CD9E2_oC72_20_ac_a2b_b_a4c_c:B-Ba-Br-O-Pb +mp-1194549,Ba2B6PbO12,-7.9988306348,-2.9042014867,0.0,-0.0009233017,GGA,R-3c,A6B2C12D_hR126_167_f_c_2f_a:B-Ba-O-Pb,42.0,A6B2C12D_hR126_167_f_c_2f_a:B-Ba-O-Pb +mp-1229148,Ba13B30(PbO30)2,-8.0534426046,-3.0100612316,0.0102106756,0.0102106756,GGA,C2,A30B13C60D2_mC210_5_15c_a6c_30c_c:B-Ba-O-Pb,105.0,"Invalid WP multiplicities - A30B13C60D2_mC210_5_30c_a12c_60c_c:B-Ba-O-Pb, expected Ba25B60(PbO60)2 to be Ba13B30(PbO30)2" +mp-1195239,B3Pb6BrO10,-6.7078429694,-2.0411443106,0.0,-0.0054075782,GGA,Pbcm,A3BC10D6_oP80_57_de_d_2d4e_2d2e:B-Br-O-Pb,80.0,A3BC10D6_oP80_57_de_d_2d4e_2d2e:B-Br-O-Pb +mp-1229254,B3Pb10Br3O13,-6.2225995659,-1.8732656263,0.0,-0.0031234458,GGA,Cc,A3B3C13D10_mC116_9_3a_3a_13a_10a:B-Br-O-Pb,58.0,"Invalid WP multiplicities - A3B3C13D10_mC116_9_4a_4a_18a_15a:B-Br-O-Pb, expected B4Pb15(Br2O9)2 to be B3Pb10Br3O13" +mp-1201413,BPb7Br3O7,-5.6923991779000005,-1.6949643318,0.0,-6.86417e-05,GGA,C2/c,AB3C7D7_mC144_15_f_ce2f_7f_7f:B-Br-O-Pb,72.0,AB3C7D7_mC144_15_f_ae2f_7f_7f:B-Br-O-Pb +mp-23623,B5Pb2BrO9,-7.6532006021,-2.5417017947,0.0,-0.0375391833,GGA,Pnn2,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Br-O-Pb,68.0,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Br-O-Pb +mp-1195934,Na2Zn3H4(Se2O7)2,-5.3471568198,-1.5237318767,0.0,-0.0032253934,GGA,C2/c,A4B2C14D4E3_mC108_15_2f_f_7f_2f_ef:H-Na-O-Se-Zn,54.0,A4B2C14D4E3_mC108_15_2f_f_7f_2f_ef:H-Na-O-Se-Zn +mp-708035,NaZn(H3O2)3,-5.0620533268,-1.3681159399,0.0322555879,0.0322555879,GGA,P-1,A9BC6D_aP34_2_9i_i_6i_i:H-Na-O-Zn,34.0,A9BC6D_aP34_2_9i_i_6i_i:H-Na-O-Zn +mp-734019,Na2Zn(HO)4,-4.9236604664,-1.5361647189,0.0,-0.0002655324,GGA,P2_1/c,A4B2C4D_mP44_14_4e_2e_4e_e:H-Na-O-Zn,44.0,A4B2C4D_mP44_14_4e_2e_4e_e:H-Na-O-Zn +mp-758168,NaZn2HSe2O7,-5.327437735,-1.5694852356,0.0010580843,0.0010580843,GGA,Pnma,ABC7D2E2_oP52_62_c_c_3c2d_2c_ac:H-Na-O-Se-Zn,52.0,"Invalid WP multiplicities - ABC7D2E2_oP52_62_c_c_12c5d_5c_2a2c:H-Na-O-Se-Zn, expected NaZn4HSe5O22 to be NaZn2HSe2O7" +mp-643776,Na2ZnH4(SeO5)2,-5.3828363111,-1.4915516561,0.0,-0.001863747,GGA,P-1,A4B2C10D2E_aP19_2_2i_i_5i_i_a:H-Na-O-Se-Zn,19.0,A4B2C10D2E_aP19_2_2i_i_5i_i_a:H-Na-O-Se-Zn +mp-695960,NaZn(HO)3,-4.977394343,-1.5273301964,0.0024420569,0.0024420569,GGA,P4_2bc,A3BC3D_tP64_106_3c_c_3c_c:H-Na-O-Zn,64.0,A3BC3D_tP64_106_3c_c_3c_c:H-Na-O-Zn +mp-1202250,Cu4BiSe4I,-3.982176388,-0.4127435809,0.043890884,0.043890884,GGA,Pnma,AB4CD4_oP40_62_c_4c_c_4c:Bi-Cu-I-Se,40.0,AB4CD4_oP40_62_c_4c_c_4c:Bi-Cu-I-Se +mp-669425,Cu3BiSe2IO8,-5.4380015277,-1.159547652,0.0,-0.0124919071,GGA,Pmmn,AB3CD8E2_oP30_59_a_ac_b_2eg_e:Bi-Cu-I-O-Se,30.0,"Invalid WP multiplicities - AB3CD8E2_oP30_59_a_ac_b_7e5g_e:Bi-Cu-I-O-Se, expected Cu3BiSe2IO34 to be Cu3BiSe2IO8" +mp-1226181,Cu15Bi4(Se4I)4,-3.9842900879,-0.4284412261,0.0354823082,0.0354823082,GGA,Pm,A4B15C4D16_mP39_6_2a2b_7a8b_2a2b_8a8b:Bi-Cu-I-Se,39.0,A4B15C4D16_mP39_6_2a2b_7a8b_2a2b_8a8b:Bi-Cu-I-Se +mp-7112,Sr2Cu3(SO)2,-5.3514375589,-1.5911171063,0.1019481593,0.1019481593,GGA,I4/mmm,A3B2C2D2_tI18_139_ad_c_e_e:Cu-O-S-Sr,9.0,A3B2C2D2_tI18_139_ad_c_e_e:Cu-O-S-Sr +mp-1147582,Sr2CuSO2,-5.7238028,-2.1391326557,0.1565752911,0.1565752911,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:Cu-O-S-Sr,6.0,AB2CD2_tP6_123_b_e_a_h:Cu-O-S-Sr +mp-1214264,CdCu2(SO4)2,-5.3184971788,-0.9363654462,0.6059670592,0.6059670592,GGA,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Cd-Cu-O-S,26.0,AB2C8D2_mP26_14_a_e_4e_e:Cd-Cu-O-S +mp-1393408,SrCuSO,-5.2053666413,-1.4874069659,0.417291458,0.417291458,GGA,I4/mmm,ABCD_tI16_139_d_c_e_e:Cu-O-S-Sr,8.0,ABCD_tI16_139_d_c_e_e:Cu-O-S-Sr +mp-1217998,SrCd4S5,-3.649710808,-1.0433806252,0.142704466,0.142704466,GGA,R-3m,A4B5C_hR30_166_2c_a2c_b:Cd-S-Sr,10.0,"Invalid WP multiplicities - A4B5C_hR30_166_3c_a4c_b:Cd-S-Sr, expected Sr(Cd2S3)3 to be SrCd4S5" +mp-1094069,Sr2Cd2Cu(SO)2,-4.5059658444,-1.4514935941,0.3092027822,0.3092027822,GGA,I4/mmm,A2BC2D2E2_tI18_139_d_a_c_e_e:Cd-Cu-O-S-Sr,9.0,A2BC2D2E2_tI18_139_d_a_c_e_e:Cd-Cu-O-S-Sr +mp-1217986,SrCd3S4,-3.7597164162,-1.1342211411,0.1274252594,0.1274252594,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Cd-S-Sr,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_a2c_4c_b:Cd-S-Sr, expected SrCd5S8 to be SrCd3S4" +mp-1147654,Cd2Cu(SO)2,-3.70097593,-0.2565097377,0.9072532075,0.9072532075,GGA,I4/mmm,A2BC2D2_tI14_139_d_a_c_e:Cd-Cu-O-S,7.0,A2BC2D2_tI14_139_d_a_c_e:Cd-Cu-O-S +mp-1232336,Sr2CdCu(SO)2,-5.1707290175,-1.8498089559,0.0929319677,0.0929319677,GGA,I-4m2,ABC2D2E2_tI16_119_c_a_f_e_e:Cd-Cu-O-S-Sr,8.0,ABC2D2E2_tI16_119_c_a_f_e_e:Cd-Cu-O-S-Sr +mp-1518430,Ba2DyWO6,-8.191476751,-3.0831768293,0.0325709088,0.0325709088,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-W +mp-1521444,BaSr(WO3)4,-8.7707731883,-2.3929257523,0.1119261989,0.1119261989,GGA+U,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sr-W,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sr-W, expected BaSr(WO4)4 to be BaSr(WO3)4" +mp-1522319,BaSrDyWO6,-8.22948191,-3.1441301369,0.0063225585,0.0063225585,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Dy-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Dy-O-Sr-W, expected BaSrDyWO12 to be BaSrDyWO6" +mp-1522331,BaSrDyWO6,-8.226536017,-3.1411842439,0.0092684515,0.0092684515,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Dy-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Dy-O-Sr-W +mp-1522372,BaSrDyWO6,-8.144479517,-3.0591277439,0.0913249515,0.0913249515,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Sr-W +mp-18764,Ba2SrWO6,-7.785776857,-2.9692062739,0.0,-0.0572373507,GGA+U,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Sr-W,10.0,A2B6CD_mC20_12_i_ij_a_d:Ba-O-Sr-W +mp-19078,Ba2SrWO6,-7.784819741,-2.9682491579,0.000957116,-0.0562802347,GGA+U,R-3,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-W,10.0,A2B6CD_hR30_148_c_f_a_b:Ba-O-Sr-W +mp-1518756,Ba2SrWO6,-7.7720683028,-2.9554977197000003,0.0137085542,-0.0435287965,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sr-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Sr-W +mp-1518621,Ba2SrWO6,-7.761117367,-2.9445467839,0.02465949,-0.0325778607,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sr-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Sr-W +mp-1228348,Ba3Dy2WO9,-8.0965863217,-3.2666645129,0.0,-0.0169716762,GGA+U,Immm,A3B2C9D_oI60_71_fn_abg_e3ln_h:Ba-Dy-O-W,30.0,"Invalid WP multiplicities - A3B2C9D_oI60_71_2f2n_abg_2e12l2n_h:Ba-Dy-O-W, expected Ba6Dy2WO30 to be Ba3Dy2WO9" +mp-2227074,NaMgNiIO6,-5.530719589,-1.5450755249,0.03236141,-0.0062290615,GGA+U,P1,ABCDE6_aP10_1_a_a_a_a_6a:I-Mg-Na-Ni-O,10.0,ABCDE6_aP10_1_a_a_a_a_6a:I-Mg-Na-Ni-O +mp-2223887,NaMgNiIO6,-5.445749759,-1.4601056949,0.11733124,0.0787407685,GGA+U,P312,ABCDE6_hP10_149_c_b_f_a_l:I-Mg-Na-Ni-O,10.0,ABCDE6_hP10_149_c_b_f_a_l:I-Mg-Na-Ni-O +mp-2223065,NaMgNiIO6,-5.563080999,-1.5774369349,0.0,-0.0385904715,GGA+U,P312,ABCDE6_hP10_149_c_a_b_e_l:I-Mg-Na-Ni-O,10.0,ABCDE6_hP10_149_c_a_b_e_l:I-Mg-Na-Ni-O +mp-2222874,NaMgNiIO6,-5.486863832,-1.5012197679,0.076217167,0.0376266955,GGA+U,P312,ABCDE6_hP10_149_a_b_d_e_l:I-Mg-Na-Ni-O,10.0,ABCDE6_hP10_149_a_b_d_e_l:I-Mg-Na-Ni-O +mp-545399,NaNiIO6,-5.2949508833,-1.0442663732,0.0,-0.0319673457,GGA+U,P312,ABCD6_hP9_149_a_d_e_l:I-Na-Ni-O,9.0,ABCD6_hP9_149_a_d_e_l:I-Na-Ni-O +mp-1521870,NaSrYMnO6,-7.210865096,-2.378801354,0.147987192,0.147987192,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sr-Y +mp-1048669,Sr2Y2Mn2O7,-8.2997733523,-2.9718671449,0.111882533,0.111882533,GGA+U,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Mn-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Mn-O-Sr-Y +mp-1218597,Sr2YMn2O7,-8.0569027637,-2.8238769652,0.0220160709,0.0220160709,GGA+U,P2_1/m,A2B7C2D_mP24_11_2e_3e2f_2e_e:Mn-O-Sr-Y,24.0,"Invalid WP multiplicities - A2B7C2D_mP24_11_4e_3e2f_2e_e:Mn-O-Sr-Y, expected Sr2YMn4O7 to be Sr2YMn2O7" +mp-1047345,Sr2YMn2O7,-7.8369870417,-2.6039612431,0.241931793,0.241931793,GGA+U,Imma,A2B7C2D_oI48_74_h_c2gh_h_a:Mn-O-Sr-Y,24.0,A2B7C2D_oI48_74_h_c2gh_h_a:Mn-O-Sr-Y +mp-1195362,Sr2ZnWO6,-7.4124126848,-2.6847133833,0.0,-0.0009021085,GGA+U,P-1,A6B2CD_aP40_2_12i_4i_2i_2i:O-Sr-W-Zn,40.0,"Invalid WP multiplicities - A6B2CD_mP20_14_9e_e_a_b:O-Sr-W-Zn, expected Sr2ZnWO18 to be Sr2ZnWO6" +mp-1105272,Sr2ZnWO6,-7.411155633,-2.6834563316,0.0012570518,0.0003549432,GGA+U,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-W-Zn,20.0,A6B2CD_mP20_14_3e_e_a_d:O-Sr-W-Zn +mp-1079778,Sr2ZnWO6,-7.409314738,-2.6816154366,0.0030979467,0.0021958382,GGA+U,I4/m,A6B2CD_tI20_87_eh_d_a_b:O-Sr-W-Zn,10.0,A6B2CD_tI20_87_eh_d_a_b:O-Sr-W-Zn +mp-19282,Sr2ZnWO6,-7.392897414,-2.6651981126,0.0195152707,0.0186131622,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Zn,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Zn +mp-1227377,BaSrZnWO6,-7.404675105,-2.6540276549,0.0160254474,0.0160254474,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-W-Zn +mp-548615,Ba2ZnWO6,-7.42898842,-2.6553928213,0.0,-0.0006622447,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-W-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-W-Zn +mp-1097100,BaSrZn2,-0.30900457,1.2229843333,1.4197702622,1.4197702622,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Sr-Zn,4.0,ABC2_oI8_71_a_b_e:Ba-Sr-Zn +mp-1228089,Ba3SrZn2(WO6)2,-7.4164776385,-2.6543561141,0.0083668477,0.0083668477,GGA+U,R3m,A3B12CD2E2_hR60_160_3a_4b_a_2a_2a:Ba-O-Sr-W-Zn,20.0,"Invalid WP multiplicities - A3B12CD2E2_hR60_160_3a_12b_a_2a_2a:Ba-O-Sr-W-Zn, expected Ba3SrZn2(WO18)2 to be Ba3SrZn2(WO6)2" +mp-1044892,BaZn(WO2)4,-8.0722636264,-1.316210115,0.7646289423,0.7646289423,GGA+U,P-31m,AB8C4D_hP14_162_a_ck_h_b:Ba-O-W-Zn,14.0,AB8C4D_hP14_162_a_ck_h_b:Ba-O-W-Zn +mp-1211203,LiCe(WO4)2,-8.7353334279,-2.6243515803,0.0295905707,0.0295905707,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Ce-Li-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:Ce-Li-O-W +mp-1517519,NaLiCeWO6,-7.778301021,-2.5980210397,0.1817520038,0.1817520038,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ce-Li-Na-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ce-Li-Na-O-W +mp-1234273,Ba6Mg(P2O7)3,-7.4222747815,-3.0259686736,0.1750610424,0.1750610424,GGA,Pm,A6BC21D6_mP34_6_3a3b_a_a2b9c_3c:Ba-Mg-O-P,,"Invalid WP multiplicities - A6BC21D6_mP34_6_3a3b_a_a2b18c_3c:Ba-Mg-O-P, expected Ba6Mg(P2O13)3 to be Ba6Mg(P2O7)3" +mp-1233105,Ba6Mg(P2O7)3,-7.4332154488,-3.036909341,0.164120375,0.164120375,GGA,Amm2,A6BC21D6_oC68_38_abde_a_bcd4f_cf:Ba-Mg-O-P,34.0,"Invalid WP multiplicities - A6BC21D6_oC68_38_abd2e_a_b2cd14f_cf:Ba-Mg-O-P, expected Ba8Mg(P2O21)3 to be Ba6Mg(P2O7)3" +mp-1234563,Ba6Mg(P2O7)3,-7.4133521932,-3.0170460854,0.1839836306,0.1839836306,GGA,Amm2,A6BC21D6_oC68_38_abde_a_ace4f_cf:Ba-Mg-O-P,34.0,"Invalid WP multiplicities - A6BC21D6_oC68_38_ab2de_a_a2ce14f_cf:Ba-Mg-O-P, expected Ba8Mg(P2O21)3 to be Ba6Mg(P2O7)3" +mp-9625,LiMgPO4,-7.0532580196,-2.9519351242000003,0.0,-0.0045772746,GGA,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Mg-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_5c3d_c:Li-Mg-O-P, expected LiMgPO11 to be LiMgPO4" +mp-555958,Ba2Li3(PO3)7,-7.441480471,-2.8554714115,0.0002888341,0.0002888341,GGA,P2_1/c,A2B3C21D7_mP132_14_2e_3e_21e_7e:Ba-Li-O-P,132.0,"Invalid WP multiplicities - A2B3C21D7_mP132_14_4e_9e_78e_26e:Ba-Li-O-P, expected Ba4Li9(PO3)26 to be Ba2Li3(PO3)7" +mp-18343,BaMgP2O7,-7.56897934,-3.1169174325,0.0,-0.011466582,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ba-Mg-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ba-Mg-O-P +mp-1019547,BaLi2Mg(PO4)2,-7.1416908186,-3.0176040024,0.0088473773,0.0088473773,GGA,P-3,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Li-Mg-O-P,14.0,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Li-Mg-O-P +mp-14558,Ba2Mg(PO4)2,-7.5294129033,-3.2341556238,0.0,-0.0150750484,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Ba-Mg-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_2e_e_8e_5e:Ba-Mg-O-P, expected Ba2MgP5O8 to be Ba2Mg(PO4)2" +mp-1020109,LiMg3P3O11,-7.2770982558,-2.9791401247,0.0,-0.0060289093,GGA,Pnma,AB3C11D3_oP72_62_c_ad_3c4d_cd:Li-Mg-O-P,72.0,AB3C11D3_oP72_62_c_ad_3c4d_cd:Li-Mg-O-P +mp-8278,Ba(MgP)2,-4.12024428,-0.9310162693,0.0,-0.1592210023,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-Mg-P,5.0,AB2C2_hP5_164_a_d_d:Ba-Mg-P +mp-6175,BaLi2P2O7,-7.2282227421,-2.9623688533,0.00206884,0.00206884,GGA,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Li-O-P,48.0,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Li-O-P +mp-1516196,Na2PrWO6,-7.4183464725,-2.4119245886,0.0934759131,0.0934759131,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Na-O-Pr-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Na-O-Pr-W +mp-1516361,Na2PrWO6,-7.380040345,-2.3736184611,0.1317820406,0.1317820406,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Na-O-Pr-W,10.0,A2B6CD_cF40_225_c_e_a_b:Na-O-Pr-W +mp-1188571,Cs2TiOF5,-5.6270731433,-2.9392531089,0.3183628478,0.3183628478,GGA,Cmcm,A2B5CD_oC36_63_g_cef_c_a:Cs-F-O-Ti,18.0,A2B5CD_oC36_63_g_cef_c_a:Cs-F-O-Ti +mp-1104830,TiNi(OF)6,-4.8516127364,-0.9355673958,0.8786091984000001,0.8786091984000001,GGA+U,R-3,A6BC6D_hR42_148_f_a_f_b:F-Ni-O-Ti,14.0,A6BC6D_hR42_148_f_a_f_b:F-Ni-O-Ti +mp-1225859,CsTi2(OF)3,-7.5968742361,-3.4567754093,0.0357795233,0.0357795233,GGA,F222,AB3C3D2_oF72_22_ac_efi_ghj_k:Cs-F-O-Ti,18.0,AB3C3D2_oF72_22_ac_efi_ghj_k:Cs-F-O-Ti +mp-41473,CsTiNiOF5,-6.3443246253,-3.1137563344,0.0,-0.0155801636,GGA+U,Imma,AB5CDE_oI36_74_e_ej_a_e_c:Cs-F-Ni-O-Ti,36.0,AB5CDE_oI36_74_e_ej_a_e_c:Cs-F-Ni-O-Ti +mp-1221161,Na4Si5Sn2O17,-7.062968998,-2.615485315,0.0536344175,0.0536344175,GGA,C2,A4B17C5D2_mC112_5_4c_17c_ab4c_2c:Na-O-Si-Sn,56.0,A4B17C5D2_mC112_5_4c_17c_ab4c_2c:Na-O-Si-Sn +mp-558181,NaSiBO4,-7.6602157843,-2.9153600787,0.0,-0.0061631691,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:B-Na-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_11e_8e_44e_10e:B-Na-O-Si, expected Na8Si10(BO4)11 to be NaSiBO4" +mp-1247561,NaSiBO4,-7.6052427327,-2.8603870271,0.0549730516,0.0488098825,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:B-Na-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_7a_6a_30a_5a:B-Na-O-Si, expected Na6Si5B7O30 to be NaSiBO4" +mp-554947,NaSiBO4,-7.6523609755,-2.9075052699,0.0078548088,0.0016916397,GGA,P6_3,ABC4D_hP42_173_c_a2b_4c_c:B-Na-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_2a3b_21c_c:B-Na-O-Si, expected Na5Si3(BO21)3 to be NaSiBO4" +mp-556740,NaSiBO4,-7.6590157852,-2.9141600795,0.0011999991,-0.00496317,GGA,P6_3,ABC4D_hP126_173_3c_a2b2c_12c_3c:B-Na-O-Si,126.0,"Invalid WP multiplicities - ABC4D_hP126_173_14c_2a3b7c_63c_15c:B-Na-O-Si, expected Na26Si45(B2O9)21 to be NaSiBO4" +mp-554853,Na4Si3(SnO6)2,-6.8510950757,-2.6155968134,0.0047735802,0.0047735802,GGA,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Na-O-Si-Sn,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_167_2b2e_9f_e_c:Na-O-Si-Sn, expected Na8Si3(SnO27)2 to be Na4Si3(SnO6)2" +mp-772986,Na3SiSnBO7,-6.7510728654,-2.5427129796,0.0,-0.0059971658,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-Si-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:B-Na-O-Si-Sn, expected Na4SiSnBO13 to be Na3SiSnBO7" +mp-696416,NaSi3BO8,-7.9850434027,-3.0733987224,0.0047330535,0.0047330535,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:B-Na-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:B-Na-O-Si +mp-1191190,NaSi2BO7,-7.4451190182,-2.5833577361,0.1631528837,0.1631528837,GGA,P2_1,ABC7D2_mP22_4_a_a_7a_2a:B-Na-O-Si,22.0,ABC7D2_mP22_4_a_a_7a_2a:B-Na-O-Si +mp-560597,Na8Si6SnO18,-6.8867473912,-2.7600177189,0.0,-0.0022955265,GGA,R-3m,A8B18C6D_hR99_166_cde_f2h_h_b:Na-O-Si-Sn,33.0,"Invalid WP multiplicities - A8B18C6D_hR99_166_c3de_5f9h_h_b:Na-O-Si-Sn, expected Na14Si6SnO84 to be Na8Si6SnO18" +mp-1203979,Na2Si3SnO11,-6.8084140991,-2.2587580782,0.2276962976,0.2276962976,GGA,C222_1,A2B11C3D_oC68_20_ab_a5c_bc_a:Na-O-Si-Sn,34.0,A2B11C3D_oC68_20_ab_a5c_bc_a:Na-O-Si-Sn +mp-1228570,Ba4Ca8Cu11CO20,-5.8620318866000005,-1.8398861619,0.3523979733,0.3523979733,GGA,I4/mmm,A4BC8D11E20_tI88_139_g_a_2g_b5e_f2m:Ba-C-Ca-Cu-O,44.0,"Invalid WP multiplicities - A4BC8D11E20_tI88_139_g_a_2g_b7e_f2m:Ba-C-Ca-Cu-O, expected Ba4Ca8Cu15CO20 to be Ba4Ca8Cu11CO20" +mp-1232312,Ca2Cu(CO)2,-6.3146425743,-1.1059118832,0.7836055679,0.7836055679,GGA,P4/mmm,A2B2CD2_tP7_123_g_h_a_f:C-Ca-Cu-O,7.0,A2B2CD2_tP7_123_g_h_a_f:C-Ca-Cu-O +mp-644852,BaCa(CO3)2,-7.8790246385,-2.6728208313,0.013567835,0.013567835,GGA,P2_1,AB2CD6_mP20_4_a_2a_a_6a:Ba-C-Ca-O,20.0,"Invalid WP multiplicities - AB2CD6_mP20_4_a_4a_a_10a:Ba-C-Ca-O, expected BaCa(C2O5)2 to be BaCa(CO3)2" +mp-6568,BaCa(CO3)2,-7.8865253895,-2.6803215822,0.006067084,0.006067084,GGA,P2_1/m,AB2CD6_mP20_11_e_2e_e_2e2f:Ba-C-Ca-O,20.0,AB2CD6_mP20_11_e_2e_e_2e2f:Ba-C-Ca-O +mp-556458,BaCa(CO3)2,-7.8814057973,-2.6752019901,0.0111866762,0.0111866762,GGA,P321,AB2CD6_hP30_150_e_c2d_f_3g:Ba-C-Ca-O,30.0,"Invalid WP multiplicities - AB2CD6_hP30_150_e_c3d_f_14g:Ba-C-Ca-O, expected Ba3Ca3(C2O21)4 to be BaCa(CO3)2" +mp-1227430,Ca2CuCO5,-6.9678650533,-2.2931411112,0.1531189507,0.1531189507,GGA,Pmm2,AB2CD5_oP9_25_c_f_a_abce:C-Ca-Cu-O,9.0,AB2CD5_oP9_25_c_f_a_abce:C-Ca-Cu-O +mp-696695,BaCaCO3,-6.7710320125,-2.1054809381,0.5857865790000001,0.5857865790000001,GGA,P6_3mc,ABCD3_hP12_186_b_a_b_c:Ba-C-Ca-O,12.0,ABCD3_hP12_186_b_a_b_c:Ba-C-Ca-O +mp-1228203,Ba4CaCu2CO9,-6.6619288335,-2.4484713704,0.0059408529,0.0059408529,GGA,Amm2,A4BCD2E9_oC34_38_f_b_a_ab_2ab2cd:Ba-C-Ca-Cu-O,17.0,A4BCD2E9_oC34_38_f_b_a_ab_2ab2cd:Ba-C-Ca-Cu-O +mp-1203729,Ba2Cu(C2O3)6,-7.0924706573,-0.7978785584,0.9810987582,0.9810987582,GGA,P-1,A2B12CD18_aP33_2_i_6i_a_9i:Ba-C-Cu-O,33.0,A2B12CD18_aP33_2_i_6i_a_9i:Ba-C-Cu-O +mp-1361722,Ba2Cu(C2O3)6,-3.5923672652,2.7022248337,4.4812021503,4.4812021503,GGA,P-1,A2B12CD18_aP33_2_i_6i_a_9i:Ba-C-Cu-O,33.0,A2B12CD18_aP33_2_i_6i_a_9i:Ba-C-Cu-O +mp-1182559,BaCu(C2O7)2,-6.4858996003,-0.8765753234,0.6993088860000001,0.6993088860000001,GGA,P-1,AB4CD14_aP40_2_i_4i_i_14i:Ba-C-Cu-O,40.0,AB4CD14_aP40_2_i_4i_i_14i:Ba-C-Cu-O +mp-1182577,Ba2Cu(C3O8)2,-7.5380828448,-1.8398360894,0.1701137634,0.1701137634,GGA,P-1,A2B6CD16_aP25_2_i_3i_a_8i:Ba-C-Cu-O,25.0,A2B6CD16_aP25_2_i_3i_a_8i:Ba-C-Cu-O +mp-727103,Ba2Cu(C3O8)2,-7.4998796144,-1.801632859,0.2083169938,0.2083169938,GGA,P-1,A2B6CD16_aP25_2_i_3i_a_8i:Ba-C-Cu-O,25.0,A2B6CD16_aP25_2_i_3i_a_8i:Ba-C-Cu-O +mp-1519441,BaSrMnWO6,-8.276430595,-2.7355559767,0.0050523965,0.0050523965,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mn-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Mn-O-Sr-W +mp-764142,Li5MnV3O8,-7.3307996525,-2.2995139157,0.0589650444,0.0589650444,GGA+U,P4_332,A5BC8D3_cP68_212_cd_a_ce_d:Li-Mn-O-V,68.0,"Invalid WP multiplicities - A5BC8D3_cP68_212_5c4d_a_8c9e_d:Li-Mn-O-V, expected Li22MnV3O70 to be Li5MnV3O8" +mp-754473,Li5Mn2V3O10,-7.553018947,-2.323656435,0.0714340265,0.0714340265,GGA+U,P-1,A5B2C10D3_aP20_2_b2i_i_5i_di:Li-Mn-O-V,40.0,"Invalid WP multiplicities - A5B2C10D3_aP20_2_b2i_i_5i_2d2i:Li-Mn-O-V, expected Li5Mn2V6O10 to be Li5Mn2V3O10" +mp-753136,Li2MnV2O6,-7.86507565,-2.3352751561,0.0895126722,0.0895126722,GGA+U,P-1,A2BC6D2_aP22_2_2i_ad_6i_2i:Li-Mn-O-V,22.0,"Invalid WP multiplicities - A2BC6D2_aP22_2_2i_ad_12i_3i:Li-Mn-O-V, expected Li2MnV3O12 to be Li2MnV2O6" +mp-1345324,Li5Mn3V2O10,-5.617149215,-0.3838812419,1.9615458559,1.9615458559,GGA+U,P-1,A5B3C10D2_aP20_2_b2i_ei_5i_i:Li-Mn-O-V,20.0,"Invalid WP multiplicities - A5B3C10D2_aP20_2_b4i_ei_9i_i:Li-Mn-O-V, expected Li9Mn3V2O18 to be Li5Mn3V2O10" +mp-1195890,Ba3MnV4O14,-8.1222449201,-2.644599177,0.1281367647,0.1281367647,GGA+U,P2_1/c,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Mn-O-V,88.0,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Mn-O-V +mp-756928,Li2MnVO4,-7.5406015892,-2.3092863466,0.060972433,0.060972433,GGA+U,P-1,A2BC4D_aP24_2_3i_ai_6i_ci:Li-Mn-O-V,24.0,"Invalid WP multiplicities - A2BC4D_aP24_2_6i_ai_12i_ci:Li-Mn-O-V, expected Li4MnVO8 to be Li2MnVO4" +mp-754402,Li2MnVO4,-7.544316849999999,-2.3130016074,0.0572571722,0.0572571722,GGA+U,P2/m,A2BC4D_mP8_10_bc_d_mn_h:Li-Mn-O-V,16.0,A2BC4D_mP8_10_bc_e_mn_g:Li-Mn-O-V +mp-753760,Li2MnVO4,-7.5438550006,-2.3125397581,0.0577190216,0.0577190216,GGA+U,C2/c,A2BC4D_mC32_15_ac_d_2f_b:Li-Mn-O-V,16.0,A2BC4D_mC32_15_ac_b_2f_d:Li-Mn-O-V +mp-760844,Li4Mn2V3O12,-7.708445246,-2.3478878747,0.0331138328,0.0331138328,GGA+U,P2_1/c,A4B2C12D3_mP84_14_4e_2e_12e_3e:Li-Mn-O-V,84.0,"Invalid WP multiplicities - A4B2C12D3_mP84_14_13e_2e_47e_11e:Li-Mn-O-V, expected Li13Mn2V11O47 to be Li4Mn2V3O12" +mp-773187,Li4Mn3V5O16,-8.0491750118,-2.346021902,0.0630482235,0.0630482235,GGA+U,P1,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Mn-O-V,28.0,A4B3C16D5_aP28_1_4a_3a_16a_5a:Li-Mn-O-V +mp-773194,Li4Mn5V3O16,-7.9490946021,-2.2403622622,0.0637772634,0.0637772634,GGA+U,P1,A4B5C16D3_aP28_1_4a_5a_16a_3a:Li-Mn-O-V,28.0,A4B5C16D3_aP28_1_4a_5a_16a_3a:Li-Mn-O-V +mp-831248,Li9Mn7V12O48,-7.8433994817,-2.2149475893,0.0353524405,0.0353524405,GGA+U,P1,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-V,76.0,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-V +mp-772658,Li9Mn7V12O48,-7.8360627143,-2.2076108219,0.0426892079,0.0426892079,GGA+U,P1,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-V,76.0,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-V +mp-1235752,LiMn2V4O8,-8.448552122,-2.0390796273,0.2919842114,0.2919842114,GGA+U,Imm2,AB2C8D4_oI30_44_a_ab_2c2d_cd:Li-Mn-O-V,15.0,"Invalid WP multiplicities - AB2C8D4_oI30_44_a_ab_3c4d_2cd:Li-Mn-O-V, expected LiMn2V6O14 to be LiMn2V4O8" +mp-1235517,LiMn2V4O8,-8.6604135587,-2.2509410639,0.0801227747,0.0801227747,GGA+U,R-3m,AB2C8D4_hR45_166_b_c_ch_ad:Li-Mn-O-V,15.0,"Invalid WP multiplicities - AB2C8D4_hR45_166_b_c_2c2h_a2d:Li-Mn-O-V, expected LiMn2V7O16 to be LiMn2V4O8" +mp-757617,Li3Mn2V5O12,-8.1922904564,-2.3363543623,0.0883326218,0.0883326218,GGA+U,C2,A3B2C12D5_mC44_5_ac_ab_6c_a2bc:Li-Mn-O-V,22.0,"Invalid WP multiplicities - A3B2C12D5_mC44_5_ac_ab_10c_a2bc:Li-Mn-O-V, expected Li3Mn2V5O20 to be Li3Mn2V5O12" +mp-1103771,BaLi2MnV2O8,-7.7965639454,-2.6079812457,0.0,-0.0027741681,GGA+U,P-3,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Li-Mn-O-V,28.0,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Li-Mn-O-V +mp-756896,Li4MnV3O8,-7.5507691562,-2.3243357401,0.1080022442,0.1080022442,GGA+U,P1,A4BC8D3_aP16_1_4a_a_8a_3a:Li-Mn-O-V,16.0,A4BC8D3_aP16_1_4a_a_8a_3a:Li-Mn-O-V +mp-1408159,Li4MnV3O8,-7.2111329481,-1.984699532,0.4476384523,0.4476384523,GGA+U,C2,A4BC8D3_mC32_5_2bc_a_4c_ac:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_mC32_5_2bc_a_7c_ac:Li-Mn-O-V, expected Li4MnV3O14 to be Li4MnV3O8" +mp-759213,Li4MnV3O8,-7.6202533294,-2.3938199132,0.0385180711,0.0385180711,GGA+U,Cm,A4BC8D3_mC32_8_2ab_a_4a2b_ab:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_mC32_12_abe_c_3i2j_df:Li-Mn-O-V, expected Li4MnV3O14 to be Li4MnV3O8" +mp-1177391,Li4MnV3O8,-7.6114657687,-2.3850323526,0.0473056317,0.0473056317,GGA+U,C2/m,A4BC8D3_mC32_12_abf_c_2ij_de:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A4BC8D3_aP16_2_adgh_b_7i_cef:Li-Mn-O-V, expected Li4MnV3O14 to be Li4MnV3O8" +mp-770661,Li3Mn4VO8,-7.8492382637,-2.1597229182,0.08189535,0.08189535,GGA+U,C2/m,A3B4C8D_mC32_12_af_bce_2ij_d:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_a2e_bdf_3i2j_c:Li-Mn-O-V, expected Li5Mn4VO14 to be Li3Mn4VO8" +mp-759274,Li4Mn2V5O12,-8.0378884661,-2.3535616428,0.0633926795,0.0633926795,GGA+U,P2_1,A4B2C12D5_mP46_4_4a_2a_12a_5a:Li-Mn-O-V,46.0,"Invalid WP multiplicities - A4B2C12D5_mP46_4_8a_3a_24a_10a:Li-Mn-O-V, expected Li8Mn3V10O24 to be Li4Mn2V5O12" +mp-1308103,Li3MnV3O8,-7.819687335,-2.3720865489,0.073585611,0.073585611,GGA+U,P-1,A3BC8D3_aP30_2_aefgi_i_8i_bc2i:Li-Mn-O-V,30.0,A3BC8D3_hR45_166_e_a_ch_d:Li-Mn-O-V +mp-867644,Li3MnV3O8,-7.800817364,-2.3532165779,0.092455582,0.092455582,GGA+U,Cm,A3BC8D3_mC30_8_3a_a_8a_3a:Li-Mn-O-V,15.0,A3BC8D3_mC30_8_3a_a_8a_3a:Li-Mn-O-V +mp-1275845,Li3MnV3O8,-7.8218115927,-2.3742108065,0.0714613533,0.0714613533,GGA+U,C2/c,A3BC8D3_mC60_15_ef_e_4f_abc:Li-Mn-O-V,30.0,A3BC8D3_hR45_166_e_a_ch_d:Li-Mn-O-V +mp-757175,Li3MnV3O8,-7.8311941787,-2.3835933925,0.0620787673,0.0620787673,GGA+U,R-3m,A3BC8D3_hR45_166_d_a_ch_e:Li-Mn-O-V,15.0,"Invalid WP multiplicities - A3BC8D3_hR45_166_d_a_2c2h_e:Li-Mn-O-V, expected Li3MnV3O16 to be Li3MnV3O8" +mp-759964,Li3MnV3O8,-7.8208798933,-2.3732791072,0.0723930526,0.0723930526,GGA+U,R-3m,A3BC8D3_hR45_166_e_a_ch_d:Li-Mn-O-V,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_12_af_b_3ij_ce:Li-Mn-O-V, expected Li3MnV3O10 to be Li3MnV3O8" +mp-755305,Li3MnV4O8,-7.9935804775,-2.3187106111,0.07410373,0.07410373,GGA+U,C2/m,A3BC8D4_mC32_12_af_d_2ij_bce:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A3BC8D4_mC32_12_ae_d_4i2j_bcf:Li-Mn-O-V, expected Li3MnV4O16 to be Li3MnV4O8" +mp-1236543,Ba2LiMn2O6,-7.2106054718,-2.3241476902,0.1158481185,0.1158481185,GGA+U,Cm,A2BC2D6_mC22_8_2a_a_2a_2a2b:Ba-Li-Mn-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_8_2a_a_2a_2a3b:Ba-Li-Mn-O, expected Ba2LiMn2O8 to be Ba2LiMn2O6" +mp-1235162,Ba2LiMn2O6,-7.25299762,-2.3665398383,0.0734559703,0.0734559703,GGA+U,C2/m,A2BC2D6_mC22_12_i_b_ac_ij:Ba-Li-Mn-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_12_i_a_bc_i2j:Ba-Li-Mn-O, expected Ba2LiMn2O10 to be Ba2LiMn2O6" +mp-1235137,Ba2LiMn2O6,-7.17777675,-2.2913189683,0.1486768403,0.1486768403,GGA+U,Amm2,A2BC2D6_oC22_38_ab_a_c_abde:Ba-Li-Mn-O,11.0,"Invalid WP multiplicities - A2BC2D6_oC22_38_ab_a_c_ab2d2e:Ba-Li-Mn-O, expected Ba2LiMn2O10 to be Ba2LiMn2O6" +mp-755092,Li3Mn2VO6,-7.4876851704,-2.2531153769,0.0757572663,0.0757572663,GGA+U,C2/m,A3B2C6D_mC24_12_ai_i_3i_c:Li-Mn-O-V,24.0,A3B2C6D_mC24_12_ai_i_3i_d:Li-Mn-O-V +mp-774681,Li5Mn2V5O12,-7.8741567071,-2.347138382,0.061518466,0.061518466,GGA+U,C2,A5B2C12D5_mC48_5_a2c_ab_6c_a2bc:Li-Mn-O-V,24.0,"Invalid WP multiplicities - A5B2C12D5_mC48_5_a4c_ab_6c_a2bc:Li-Mn-O-V, expected Li9Mn2V5O12 to be Li5Mn2V5O12" +mp-774814,Li3Mn2V3O12,-7.8385410416,-2.3054019452,0.0224230241,0.0224230241,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mn-O-V,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_3e_43e_11e:Li-Mn-O-V, expected Li9Mn3V11O43 to be Li3Mn2V3O12" +mp-756887,Li5Mn5V2O12,-7.7542290479,-2.2174470701,0.0670513686,0.0670513686,GGA+U,C2,A5B5C12D2_mC48_5_a2c_a2bc_6c_ab:Li-Mn-O-V,24.0,"Invalid WP multiplicities - A5B5C12D2_mC48_5_a4c_a2bc_6c_ab:Li-Mn-O-V, expected Li9Mn5V2O12 to be Li5Mn5V2O12" +mp-1196033,BaMn9V6O26,-8.6730337008,-2.3041180941,0.0429144263,0.0429144263,GGA+U,Pa-3,AB9C26D6_cP168_205_a_bcd_c4d_d:Ba-Mn-O-V,168.0,AB9C26D6_cP168_205_a_bcd_c4d_d:Ba-Mn-O-V +mp-756140,Li3MnV4O12,-7.882739468,-2.3535058326,0.0717397473,0.0717397473,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-V,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-V +mp-1282819,Li3MnV4O12,-7.904929124,-2.3756954886,0.0495500913,0.0495500913,GGA+U,P1,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-V,20.0,A3BC12D4_aP20_1_3a_a_12a_4a:Li-Mn-O-V +mp-754783,Li3MnV4O12,-7.890614896,-2.3613812606,0.0638643193,0.0638643193,GGA+U,C2,A3BC12D4_mC40_5_a2b_a_6c_2c:Li-Mn-O-V,20.0,"Invalid WP multiplicities - A3BC12D4_mC40_5_a2b_a_12c_4c:Li-Mn-O-V, expected Li3MnV8O24 to be Li3MnV4O12" +mp-1666401,Li3MnV4O12,-7.9097983787,-2.3805647434,0.0446808365,0.0446808365,GGA+U,C2,A3BC12D4_mC80_5_ab2c_ab_12c_4c:Li-Mn-O-V,40.0,"Invalid WP multiplicities - A3BC12D4_mC80_5_ab2c_ab_21c_7c:Li-Mn-O-V, expected Li3MnV7O21 to be Li3MnV4O12" +mp-19507,BaMn2V2O8,-8.5493888506,-2.5505944387,0.0,-0.0200538217,GGA+U,I4_1/acd,AB2C8D2_tI104_142_a_f_2g_e:Ba-Mn-O-V,52.0,AB2C8D2_tI104_142_a_f_2g_e:Ba-Mn-O-V +mp-1177949,Li2Mn2V3O12,-7.9549941134,-2.2311067943,0.0275560388,0.0275560388,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Li-Mn-O-V,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_cd:Li-Mn-O-V, expected Li2Mn2V3O42 to be Li2Mn2V3O12" +mp-775199,LiMnVO4,-8.06675577,-2.3608130452,0.011776745,0.0052878424,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-V,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-V +mp-19107,LiMnVO4,-8.078532515,-2.3725897902,0.0,-0.0064889026,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-V,14.0,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-V +mp-753949,LiMnVO4,-7.9908352464,-2.2848925216,0.0876972686,0.081208366,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h2i_c:Li-Mn-O-V, expected LiMnVO10 to be LiMnVO4" +mp-861234,LiMnVO4,-8.0548007443,-2.3488580195,0.0237317707,0.0172428681,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Li-Mn-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_3h2i_e:Li-Mn-O-V, expected LiMnVO10 to be LiMnVO4" +mp-774424,LiMnVO4,-8.0171502896,-2.3112075648,0.0613822254,0.0548933227,GGA+U,P4_322,ABC4D_tP28_95_a_c_2d_b:Li-Mn-O-V,28.0,ABC4D_tP28_95_a_c_2d_b:Li-Mn-O-V +mp-776140,Li2MnV5O12,-8.2463385525,-2.358355757,0.0989534047,0.0989534047,GGA+U,C2,A2BC12D5_mC40_5_ab_a_6c_b2c:Li-Mn-O-V,20.0,"Invalid WP multiplicities - A2BC12D5_mC40_5_ab_a_12c_b4c:Li-Mn-O-V, expected Li2MnV9O24 to be Li2MnV5O12" +mp-764265,Li10Mn3V5O16,-7.2796233944,-2.2460403276,0.0832248891,0.0832248891,GGA+U,P1,A10B3C16D5_aP34_1_10a_3a_16a_5a:Li-Mn-O-V,34.0,A10B3C16D5_aP34_1_10a_3a_16a_5a:Li-Mn-O-V +mp-804062,Li4Mn3VO8,-7.346869885,-2.1106728161,0.1761081941,0.1761081941,GGA+U,P-1,A4B3C8D_aP16_2_acfh_bde_4i_g:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_aP16_2_acfh_bde_8i_g:Li-Mn-O-V, expected Li4Mn3VO16 to be Li4Mn3VO8" +mp-773098,Li4Mn3VO8,-7.3864907606,-2.1502936917,0.1364873184,0.1364873184,GGA+U,R-3,A4B3C8D_hR48_148_ae_d_cf_b:Li-Mn-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_148_ae_d_2c2f_b:Li-Mn-O-V, expected Li4Mn3VO16 to be Li4Mn3VO8" +mp-1191925,Li2MnV4O14,-7.5804834057,-1.9343344884,0.2432429578,0.2432429578,GGA+U,C2/m,A2BC14D4_mC42_12_i_a_7i_2i:Li-Mn-O-V,21.0,A2BC14D4_mC42_12_i_a_7i_2i:Li-Mn-O-V +mp-1178076,Li2MnV3O8,-8.1118740588,-2.4115105641,0.0340398969,0.0340398969,GGA+U,P1,A2BC8D3_aP56_1_8a_4a_32a_12a:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2BC8D3_oP56_19_5a_a_29a_9a:Li-Mn-O-V, expected Li5MnV9O29 to be Li2MnV3O8" +mp-1284814,Li2MnV3O8,-8.1146095836,-2.4142460889,0.0313043721,0.0313043721,GGA+U,P-1,A2BC8D3_aP14_2_i_c_4i_abf:Li-Mn-O-V,14.0,"Invalid WP multiplicities - A2BC8D3_aP14_2_i_c_7i_abf:Li-Mn-O-V, expected Li2MnV3O14 to be Li2MnV3O8" +mp-1177893,Li2MnV3O8,-8.0528617229,-2.3524982282,0.0930522328,0.0930522328,GGA+U,Cm,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Mn-O-V,14.0,A2BC8D3_mC28_8_2a_a_8a_3a:Li-Mn-O-V +mp-1275702,Li2MnV3O8,-8.1278299082,-2.4274664135,0.0180840474,0.0180840474,GGA+U,Cc,A2BC8D3_mC56_9_2a_a_8a_3a:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_mC56_9_2a_a_10a_6a:Li-Mn-O-V, expected Li2MnV6O10 to be Li2MnV3O8" +mp-1296412,Li2MnV3O8,-8.0940367118,-2.3936732171,0.0518772438,0.0518772438,GGA+U,C2/m,A2BC8D3_mC28_12_i_c_2ij_ae:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_mC56_12_4i_ad_8i8j_i2j:Li-Mn-O-V, expected Li4MnV5O24 to be Li2MnV3O8" +mp-1290626,Li2MnV3O8,-8.0987962989,-2.3984328043,0.0471176567,0.0471176567,GGA+U,C2/c,A2BC8D3_mC56_15_f_e_4f_abc:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_mC56_15_f_e_8f_2acd:Li-Mn-O-V, expected Li2MnV4O16 to be Li2MnV3O8" +mp-1293023,Li2MnV3O8,-8.0975767961,-2.3972133014,0.0483371596,0.0483371596,GGA+U,C2/c,A2BC8D3_mC56_15_f_c_4f_abe:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_mC56_15_f_a_9f_2c2d2e:Li-Mn-O-V, expected Li2MnV6O18 to be Li2MnV3O8" +mp-1315650,Li2MnV3O8,-8.0978296354,-2.3974661407,0.0480843203,0.0480843203,GGA+U,C2/c,A2BC8D3_mC56_15_f_c_4f_abe:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_mC56_15_f_c_9f_ab2e:Li-Mn-O-V, expected Li2MnV4O18 to be Li2MnV3O8" +mp-775492,Li2MnV3O8,-8.1149816791,-2.4146181844,0.0309322765,0.0309322765,GGA+U,P2_12_12_1,A2BC8D3_oP56_19_2a_a_8a_3a:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2BC8D3_oP56_19_5a_a_29a_9a:Li-Mn-O-V, expected Li5MnV9O29 to be Li2MnV3O8" +mp-1177891,Li2MnV3O8,-8.1371198955,-2.4367564009,0.0087940601,0.0087940601,GGA+U,R3,A2BC8D3_hR168_146_2a2b_ab_2a10b_4b:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2BC8D3_hR168_146_2a5b_ab_2a28b_10b:Li-Mn-O-V, expected Li17Mn4V30O86 to be Li2MnV3O8" +mp-1273514,Li2MnV3O8,-8.128860095,-2.4284966003,0.0170538606,0.0170538606,GGA+U,R3,A2BC8D3_hR42_146_2a_a_2a2b_b:Li-Mn-O-V,14.0,A2BC8D3_hR42_146_2a_a_2a2b_b:Li-Mn-O-V +mp-775278,Li2MnV3O8,-8.1305160229,-2.4301525282,0.0153979328,0.0153979328,GGA+U,P31c,A2BC8D3_hP28_159_ab_b_ab2c_c:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_hP28_159_a2b_b_a2b9c_c:Li-Mn-O-V, expected Li3MnV3O30 to be Li2MnV3O8" +mp-1302458,Li2MnV3O8,-8.1280691696,-2.427705675,0.017844786,0.017844786,GGA+U,R3c,A2BC8D3_hR84_161_2a_a_2a2b_b:Li-Mn-O-V,28.0,A2BC8D3_hR84_161_2a_a_2a2b_b:Li-Mn-O-V +mp-755560,Li2MnV3O8,-8.0774853443,-2.3771218496,0.0684286113,0.0684286113,GGA+U,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Li-Mn-O-V,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2ch_d:Li-Mn-O-V, expected Li2MnV3O10 to be Li2MnV3O8" +mp-775327,Li2MnV3O8,-8.1384961654,-2.4381326707,0.0074177903,0.0074177903,GGA+U,P2_13,A2BC8D3_cP56_198_2a_a_2a2b_b:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2BC8D3_cP56_198_5a_a_8a13b_b:Li-Mn-O-V, expected Li5MnV3O47 to be Li2MnV3O8" +mp-849953,Li2Mn3VO8,-7.8963978171,-2.1848758622,0.0441887165,0.0441887165,GGA+U,P2_1,A2B3C8D_mP56_4_4a_6a_16a_2a:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2B3C8D_mP56_4_7a_11a_31a_3a:Li-Mn-O-V, expected Li7Mn11V3O31 to be Li2Mn3VO8" +mp-1177922,Li2Mn3VO8,-7.9016755911,-2.1901536361,0.0389109426,0.0389109426,GGA+U,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Li-Mn-O-V,56.0,"Invalid WP multiplicities - A2B3C8D_oP56_19_5a_9a_29a_a:Li-Mn-O-V, expected Li5Mn9VO29 to be Li2Mn3VO8" +mp-781772,Li2Mn3VO8,-7.8810670389,-2.169545084,0.0595194948,0.0595194948,GGA+U,Cmc2_1,A2B3C8D_oC56_36_2a_ab_4a2b_a:Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2B3C8D_oC56_36_3a_a2b_6a6b_a:Li-Mn-O-V, expected Li3Mn5VO18 to be Li2Mn3VO8" +mp-756678,Li2Mn3VO8,-7.8678794,-2.156357445,0.0727071337,0.0727071337,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Mn-O-V,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2ch_a:Li-Mn-O-V, expected Li2Mn3VO10 to be Li2Mn3VO8" +mp-773501,Li3MnV2O6,-7.5965348029,-2.3684741113,0.0431708048,0.0431708048,GGA+U,C2/m,A3BC6D2_mC24_12_ai_c_3i_i:Li-Mn-O-V,24.0,A3BC6D2_mC24_12_ai_d_3i_i:Li-Mn-O-V +mp-756559,Li4MnV3O12,-7.3699263135,-2.1994418383,0.0924376105,0.0924376105,GGA+U,P2,A4BC12D3_mP20_3_abcd_a_6e_bcd:Li-Mn-O-V,20.0,"Invalid WP multiplicities - A4BC12D3_mP20_3_abcd_a_11e_bcd:Li-Mn-O-V, expected Li4MnV3O22 to be Li4MnV3O12" +mp-1102138,TiCoP,-7.952258805,-1.1465546989,0.0,-0.2681352424,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-Ti,12.0,ABC_oP12_62_c_c_c:Co-P-Ti +mp-867373,Ti2Co12P7,-7.3384885067,-0.7202068343,0.0,-0.018809413,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Ti,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Ti +mp-1217225,Ti4Co(PO4)6,-8.3357272849,-2.9102807142,0.0218795879,0.0218795879,GGA+U,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Co-O-P-Ti,35.0,"Invalid WP multiplicities - AB24C6D4_hR105_148_a_8f_f_4c:Co-O-P-Ti, expected Ti8Co(PO8)6 to be Ti4Co(PO4)6" +mp-863402,TiCo3(PO4)4,-7.7605839933,-2.3430558763,0.0686602973,0.0686602973,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Ti,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Ti +mp-562797,Ti2Co(PO5)2,-8.4379519902,-2.8917657266,0.0,-0.0138398356,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Co-O-P-Ti,60.0,AB10C2D2_mP30_14_a_5e_e_e:Co-O-P-Ti +mp-752800,TiCo(PO4)2,-8.1398262573,-2.6894992144,0.0343233755,0.0343233755,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-Ti,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-Ti +mp-828822,TiCo(PO4)2,-8.0941273203,-2.6438002774,0.0800223125,0.0800223125,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Co-O-P-Ti,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Co-O-P-Ti, expected TiCo(PO10)2 to be TiCo(PO4)2" +mp-777181,Ti2Nb(PO4)3,-8.4679717592,-2.8295016965,0.1383695978,0.1383695978,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Nb-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Nb-O-P-Ti, expected Ti2Nb(PO26)3 to be Ti2Nb(PO4)3" +mp-776059,Ti3NbCo2(PO4)6,-8.2939249783,-2.7604594008000003,0.0653886281,0.0653886281,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Co-Nb-O-P-Ti, expected Ti3NbCo2(P3O22)3 to be Ti3NbCo2(PO4)6" +mp-1216943,TiNb(PO4)3,-8.4714525215,-2.9657484561,0.0,-0.0163356044,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Nb-O-P-Ti,34.0,AB12C3D_hR102_161_a_4b_b_a:Nb-O-P-Ti +mp-774258,Ti5Nb(PO4)6,-8.4712955131,-2.8940980344,0.10715685,0.10715685,GGA,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Nb-O-P-Ti,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_22b_3b_5a:Nb-O-P-Ti, expected Ti5Nb(P3O22)3 to be Ti5Nb(PO4)6" +mp-774535,TiNb3(PO4)6,-8.4783818794,-2.9078009604,0.0,-0.0001713393,GGA,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Nb-O-P-Ti,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Nb-O-P-Ti, expected TiNb3(PO10)6 to be TiNb3(PO4)6" +mp-1213913,CaY4Sb3O14,-7.9892515455,-3.0114274541,0.0631343687,0.0631343687,GGA,R-3m,AB14C3D4_hR66_166_a_c2h_d_be:Ca-O-Sb-Y,22.0,"Invalid WP multiplicities - AB14C3D4_hR66_166_a_c4h_d_be:Ca-O-Sb-Y, expected CaY4Sb3O26 to be CaY4Sb3O14" +mp-12878,Sr2YSbO6,-7.466337703,-3.1008785503,0.0,-0.0781392371,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Sb-Sr-Y,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Sb-Sr-Y +mp-6110,Sr2YSbO6,-7.414485517,-3.0490263642,0.051852186,-0.0262870511,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Y,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sb-Sr-Y +mp-1048111,Sr2YSb2O7,-6.8820735842000005,-2.4878834609,0.3476988019,0.3476988019,GGA,Ima2,A7B2C2D_oI48_46_b3c_c_c_a:O-Sb-Sr-Y,24.0,A7B2C2D_oI48_46_b3c_c_c_a:O-Sb-Sr-Y +mp-1345959,Ca2YSbO5,-7.29656652,-2.9254425567,0.1637921315,0.1637921315,GGA,Cc,A2B5CD_mC36_9_2a_5a_a_a:Ca-O-Sb-Y,18.0,"Invalid WP multiplicities - A2B5CD_mC36_9_3a_8a_a_a:Ca-O-Sb-Y, expected Ca3YSbO8 to be Ca2YSbO5" +mp-1519209,SrCaYSbO6,-7.381377564,-2.9843077686,0.106953335,0.106953335,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sb-Sr-Y,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ca-O-Sb-Sr-Y +mp-1103995,Sr3Fe2(OF)4,-6.72197941,-2.9188106796,0.1919411274,0.1919411274,GGA+U,I-4m2,A4B2C4D3_tI26_119_ace_e_2f_be:F-Fe-O-Sr,13.0,A4B2C4D3_tI26_119_ace_e_2f_be:F-Fe-O-Sr +mp-1218297,SrFeO2F,-7.012030452,-2.6191562413,0.1550535726,0.1550535726,GGA+U,C2/m,ABC2D_mC20_12_h_e_gi_i:F-Fe-O-Sr,10.0,ABC2D_mC20_12_g_e_hi_i:F-Fe-O-Sr +mp-1190442,FeSeO3F,-6.4792616962,-1.6930153981,0.0,-0.0288011088,GGA+U,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-Fe-O-Se,24.0,ABC3D_mP24_14_e_e_3e_e:F-Fe-O-Se +mp-1147568,Sr3Fe2O4F3,-6.7627193117,-2.8019097677,0.190141224,0.190141224,GGA+U,I4/mmm,A3B2C4D3_tI24_139_ae_e_g_be:F-Fe-O-Sr,12.0,A3B2C4D3_tI24_139_ae_e_g_be:F-Fe-O-Sr +mp-1218828,Sr2FeO3F,-6.9775969568,-2.8918036399,0.0,-0.0077604361,GGA+U,I4mm,ABC3D2_tI14_107_a_a_ab_2a:F-Fe-O-Sr,28.0,ABC3D2_tI14_107_a_a_ab_2a:F-Fe-O-Sr +mp-19293,Sr2FeO3F,-6.9648100223,-2.8790167055,0.0127869345,0.0050264984,GGA+U,P4/nmm,ABC3D2_tP14_129_c_c_cf_2c:F-Fe-O-Sr,56.0,ABC3D2_tP14_129_c_c_cf_2c:F-Fe-O-Sr +mp-550944,Sr2Fe2Se2OF2,-6.3625118078,-2.3535674824,0.0102616244,0.0102616244,GGA+U,I4/mmm,A2B2CD2E2_tI18_139_d_c_a_e_e:F-Fe-O-Se-Sr,9.0,A2B2CD2E2_tI18_139_d_c_a_e_e:F-Fe-O-Se-Sr +mp-756335,Li3Co(BO3)2,-7.0153468817,-2.3591800313,0.0544778958,0.0544778958,GGA+U,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Co-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Co-Li-O, expected Li5CoB3O11 to be Li3Co(BO3)2" +mp-756735,Li3Co(BO3)2,-6.9985139167,-2.3423470663,0.0713108608,0.0713108608,GGA+U,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Co-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Co-Li-O, expected Li5CoB3O11 to be Li3Co(BO3)2" +mp-778474,Li3Co(BO3)2,-6.9872739958,-2.3311071455,0.0825507816,0.0825507816,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Co-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_21e:B-Co-Li-O, expected Li11Co(BO3)7 to be Li3Co(BO3)2" +mp-1250597,Li10Co(SiO5)2,-6.1860427146,-2.4245179479,0.0538459773,0.0538459773,GGA+U,P1,AB10C10D2_aP46_1_2a_20a_20a_4a:Co-Li-O-Si,46.0,AB10C10D2_aP46_1_2a_20a_20a_4a:Co-Li-O-Si +mp-763575,Li10Co(SiO5)2,-6.1891031063,-2.4275783396,0.0507855855,0.0507855855,GGA+U,Cm,AB10C10D2_mC92_8_2a_8a6b_10a5b_4a:Co-Li-O-Si,46.0,"Invalid WP multiplicities - AB10C10D2_mC92_12_i_7i6j_g9i4j_3i:Co-Li-O-Si, expected Li19Co(SiO6)3 to be Li10Co(SiO5)2" +mp-770682,Li2Co(Si2O5)2,-7.6530300532,-2.8239522438,0.0896727803,0.0896727803,GGA+U,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Co-Li-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_3i_19i_7i:Co-Li-O-Si, expected Li3CoSi7O19 to be Li2Co(Si2O5)2" +mp-757865,Li2Co(Si2O5)2,-7.6231267703,-2.7940489608,0.1195760632,0.1195760632,GGA+U,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Co-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e15f_7f:Co-Li-O-Si, expected Li7Co2(Si7O19)2 to be Li2Co(Si2O5)2" +mp-757887,Li2Co(Si2O5)2,-7.6679695487,-2.8388917392,0.0747332849,0.0747332849,GGA+U,P2_1/c,AB2C10D4_mP68_14_e_2e_10e_4e:Co-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_14_e_5e_37e_13e:Co-Li-O-Si, expected Li5CoSi13O37 to be Li2Co(Si2O5)2" +mp-757519,Li2Co(Si2O5)2,-7.6676048907,-2.8385270813,0.0750979428,0.0750979428,GGA+U,P2_12_12_1,AB2C10D4_oP68_19_a_2a_10a_4a:Co-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_oP68_19_a_5a_37a_13a:Co-Li-O-Si, expected Li5CoSi13O37 to be Li2Co(Si2O5)2" +mp-1264368,Li2Co(Si2O5)2,-7.6870958912,-2.8580180817,0.0556069424,0.0556069424,GGA+U,P2_12_12_1,AB2C10D4_oP68_19_a_2a_10a_4a:Co-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_oP68_19_a_5a_37a_13a:Co-Li-O-Si, expected Li5CoSi13O37 to be Li2Co(Si2O5)2" +mp-755994,LiCo(SiO3)2,-7.560505,-2.6057041011,0.056143412,0.056143412,GGA+U,Cc,ABC6D2_mC40_9_a_a_6a_2a:Co-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_9_a_a_11a_3a:Co-Li-O-Si, expected LiCoSi3O11 to be LiCo(SiO3)2" +mp-753876,LiCo(SiO3)2,-7.554042885,-2.5992419861,0.062605527,0.062605527,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Co-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_11f_f:Co-Li-O-Si, expected LiCo(SiO11)2 to be LiCo(SiO3)2" +mp-768669,Li3Co(BO2)5,-7.6089383718,-2.5721524581,0.1096642495,0.1096642495,GGA+U,P-1,A5BC3D10_aP38_2_5i_i_3i_10i:B-Co-Li-O,38.0,"Invalid WP multiplicities - A5BC3D10_aP38_2_9i_i_5i_19i:B-Co-Li-O, expected Li5CoB9O19 to be Li3Co(BO2)5" +mp-1650011,Li3CoSiBO7,-6.9113561688,-2.3293086939,0.1142299606,0.1142299606,GGA+U,Pm,ABC3D7E_mP52_6_2a2b_2a2b_2a2b4c_10a10b4c_2a2b:B-Co-Li-O-Si,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_6_2a2b_2a2b_2a2b8c_10a10b8c_2a2b:B-Co-Li-O-Si, expected Li5CoSiBO9 to be Li3CoSiBO7" +mp-771167,Li3CoSiBO7,-6.9377302742,-2.3556827993,0.0878558553,0.0878558553,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Co-Li-O-Si, expected Li4CoSiBO13 to be Li3CoSiBO7" +mp-758338,Li2Co2Si2O7,-7.3381731315,-2.4526394114,0.047460678,0.047460678,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Co-Li-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Co-Li-O-Si, expected LiCoSiO5 to be Li2Co2Si2O7" +mp-758296,Li2Co2Si2O7,-7.3177921446,-2.4322584245,0.0678416649,0.0678416649,GGA+U,Ama2,A2B2C7D2_oC52_40_c_ab_b3c_c:Co-Li-O-Si,26.0,A2B2C7D2_oC52_40_c_ab_b3c_c:Co-Li-O-Si +mp-758330,Li2Co2Si2O7,-7.3143860104,-2.4288522902,0.0712477991,0.0712477991,GGA+U,Ama2,A2B2C7D2_oC52_40_ab_c_b3c_c:Co-Li-O-Si,26.0,A2B2C7D2_oC52_40_ab_c_b3c_c:Co-Li-O-Si +mp-768439,Li3Co4(BO3)4,-7.4059912476,-2.1782577086,0.174216685,0.174216685,GGA+U,Pc,A4B4C3D12_mP46_7_4a_4a_3a_12a:B-Co-Li-O,46.0,"Invalid WP multiplicities - A4B4C3D12_mP46_7_6a_6a_5a_20a:B-Co-Li-O, expected Li5Co6(B3O10)2 to be Li3Co4(BO3)4" +mp-758702,Li6Co(SiO4)2,-6.5879878915,-2.5299878476,0.0699164403,0.0699164403,GGA+U,P-1,AB6C8D2_aP17_2_a_3i_4i_i:Co-Li-O-Si,34.0,AB6C8D2_aP17_2_a_3i_4i_i:Co-Li-O-Si +mp-867293,LiCo2Si,-5.79020489,-0.4024857683,0.0,-0.077308774,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Li-Si,4.0,A2BC_cF16_225_c_a_b:Co-Li-Si +mp-758411,Li3CoSiO5,-6.6868441815,-2.3874593834,0.043687516,0.043687516,GGA+U,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Co-Li-O-Si,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:Co-Li-O-Si, expected Li6CoSiO10 to be Li3CoSiO5" +mp-849520,LiCo3(SiO4)2,-7.472713035,-2.2114257492,0.0671498046,0.0671498046,GGA+U,P1,A3BC8D2_aP42_1_9a_3a_24a_6a:Co-Li-O-Si,42.0,A3BC8D2_aP42_1_9a_3a_24a_6a:Co-Li-O-Si +mp-1177472,Li4Co(BO3)2,-6.8252117592,-2.3803713692,0.0993891915,0.0993891915,GGA+U,Pnnm,A2BC4D6_oP26_58_g_a_2g_3g:B-Co-Li-O,26.0,"Invalid WP multiplicities - A2BC4D6_oP26_58_g_a_5g_9g:B-Co-Li-O, expected Li10Co(BO9)2 to be Li4Co(BO3)2" +mp-757921,Li4Co2Si3O10,-7.2064362068,-2.5961641932,0.0376657795,0.0376657795,GGA+U,C2/c,A2B4C10D3_mC76_15_f_2f_5f_ef:Co-Li-O-Si,38.0,"Invalid WP multiplicities - A2B4C10D3_mC76_15_f_7f_15f_2e3f:Co-Li-O-Si, expected Li7CoSi4O15 to be Li4Co2Si3O10" +mp-758637,Li2CoSiO4,-7.0179065269,-2.5006269765,0.0142900994,-0.0167244878,GGA+U,P2_1,AB2C4D_mP16_4_a_2a_4a_a:Co-Li-O-Si,32.0,AB2C4D_mP16_4_a_2a_4a_a:Co-Li-O-Si +mp-753732,Li2CoSiO4,-7.0321966263,-2.5149170758,0.0,-0.0310145872,GGA+U,Pc,AB2C4D_mP16_7_a_2a_4a_a:Co-Li-O-Si,32.0,AB2C4D_mP16_7_a_2a_4a_a:Co-Li-O-Si +mp-752946,Li2CoSiO4,-7.0056128531,-2.4883333027,0.0265837731,-0.0044308141,GGA+U,C2/m,AB2C4D_mC32_12_g_hi_2ij_i:Co-Li-O-Si,32.0,AB2C4D_mC32_12_g_hi_2ij_i:Co-Li-O-Si +mp-757664,Li2CoSiO4,-6.9886695934,-2.471390043,0.0435270328,0.0125124456,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:Co-Li-O-Si, expected Li3CoSiO11 to be Li2CoSiO4" +mp-757985,Li2CoSiO4,-7.0120092675,-2.4947297171,0.0201873587,-0.0108272284,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_13e_e:Co-Li-O-Si, expected Li3CoSiO13 to be Li2CoSiO4" +mp-758473,Li2CoSiO4,-7.0108112863,-2.4935317358,0.02138534,-0.0096292472,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_7e_e:Co-Li-O-Si, expected Li3CoSiO7 to be Li2CoSiO4" +mp-758372,Li2CoSiO4,-7.0225286244,-2.505249074,0.0096680019,-0.0213465853,GGA+U,C222_1,AB2C4D_oC32_20_a_ab_2c_b:Co-Li-O-Si,32.0,AB2C4D_oC32_20_a_ab_2c_b:Co-Li-O-Si +mp-772320,Li2CoSiO4,-6.9622347525,-2.4449552021,0.0699618737,0.0389472866,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Co-Li-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_5a_14a_29a_5a:Co-Li-O-Si, expected Li14Co5Si5O29 to be Li2CoSiO4" +mp-1248621,Li2CoSiO4,-6.9855538358,-2.4682742854,0.0466427905,0.0156282033,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Co-Li-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_5a_14a_29a_5a:Co-Li-O-Si, expected Li14Co5Si5O29 to be Li2CoSiO4" +mp-753828,Li2CoSiO4,-7.0277913381,-2.5105117877,0.0044052881,-0.0266092991,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Co-Li-O-Si,32.0,AB2C4D_oP16_31_a_b_2ab_a:Co-Li-O-Si +mp-761247,Li2CoSiO4,-7.0259542928,-2.5086747424,0.0062423334,-0.0247722537,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Co-Li-O-Si, expected Li5CoSiO13 to be Li2CoSiO4" +mp-759671,Li2CoSiO4,-7.0263941322,-2.5091145818,0.0058024941,-0.0252120931,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Co-Li-O-Si, expected Li5CoSiO13 to be Li2CoSiO4" +mp-764957,Li2CoSiO4,-7.0167201416,-2.4994405911,0.0154764847,-0.0155381025,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Co-Li-O-Si, expected Li5CoSiO13 to be Li2CoSiO4" +mp-561743,Li2CoSiO4,-7.0320821372,-2.5148025868,0.0001144891,-0.0309000981,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Co-Li-O-Si,32.0,AB2C4D_oP32_33_a_2a_4a_a:Co-Li-O-Si +mp-760516,Li2CoSiO4,-7.01756573,-2.5002861796,0.0146308962,-0.0163836909,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_7c3d_c:Co-Li-O-Si, expected Li2CoSiO13 to be Li2CoSiO4" +mp-758638,Li2CoSiO4,-7.0256650356,-2.5083854852,0.0065315906,-0.0244829966,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Co-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_7c3d_c:Co-Li-O-Si, expected Li2CoSiO13 to be Li2CoSiO4" +mp-764642,Li2CoSiO4,-7.0065095897,-2.4892300393,0.0256870366,-0.0053275506,GGA+U,I-42m,AB2C4D_tI16_121_a_d_i_b:Co-Li-O-Si,32.0,AB2C4D_tI16_121_a_d_i_b:Co-Li-O-Si +mp-762264,Li2CoSiO4,-6.9521271029000005,-2.4348475525,0.0800695233,0.0490549362,GGA+U,P3_121,AB2C4D_hP24_152_a_c_2c_b:Co-Li-O-Si,48.0,AB2C4D_hP24_152_a_c_2c_b:Co-Li-O-Si +mp-768705,Li3CoBO4,-6.5078674319,-2.1410637641,0.1445880278,0.1445880278,GGA+U,I4_1/a,ABC3D4_tI144_88_f_f_3f_4f:B-Co-Li-O,72.0,"Invalid WP multiplicities - ABC3D4_tI144_88_f_f_14f_21f:B-Co-Li-O, expected Li14CoBO21 to be Li3CoBO4" +mp-763318,LiCo2(BO3)2,-7.48386004,-2.1052714704,0.1930166564,0.1930166564,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:B-Co-Li-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:B-Co-Li-O +mp-753220,Li2Co(SiO3)2,-7.3262571873,-2.6483542913,0.0719577882,0.0719577882,GGA+U,P2_1,AB2C6D2_mP22_4_a_2a_6a_2a:Co-Li-O-Si,44.0,AB2C6D2_mP22_4_a_2a_6a_2a:Co-Li-O-Si +mp-758354,Li2Co(SiO3)2,-7.3486831095,-2.6707802136,0.0495318659,0.0495318659,GGA+U,C2/c,AB2C6D2_mC44_15_e_f_ae2f_f:Co-Li-O-Si,22.0,AB2C6D2_mC44_15_e_f_ae2f_f:Co-Li-O-Si +mp-753142,Li2Co(SiO3)2,-7.3883227218,-2.7104198258,0.0098922536,0.0098922536,GGA+U,Fdd2,AB2C6D2_oF88_43_a_b_3b_b:Co-Li-O-Si,44.0,AB2C6D2_oF88_43_a_b_3b_b:Co-Li-O-Si +mp-758014,Li2Co(SiO3)2,-7.3326819553,-2.6547790593,0.0655330202,0.0655330202,GGA+U,Fdd2,AB2C6D2_oF264_43_ab_2a2b_9b_2a2b:Co-Li-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oF264_43_2a2b_4a6b_33b_4a6b:Co-Li-O-Si, expected Li8Co3Si8O33 to be Li2Co(SiO3)2" +mp-758369,Li4Co(SiO3)3,-7.1314349794,-2.6878960528,0.0926280074,0.0926280074,GGA+U,C2,AB4C9D3_mC68_5_c_2a2b2c_ab8c_3c:Co-Li-O-Si,34.0,"Invalid WP multiplicities - AB4C9D3_mC68_5_c_2a2b4c_ab16c_5c:Co-Li-O-Si, expected Li6CoSi5O17 to be Li4Co(SiO3)3" +mp-754433,Li2CoBO4,-6.8029749969,-2.1289362289,0.1222373177,0.1222373177,GGA+U,C2/m,ABC2D4_mC32_12_i_g_hi_2ij:B-Co-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_mC32_12_i_g_h2i_4ij:B-Co-Li-O, expected Li3CoBO6 to be Li2CoBO4" +mp-771019,Li2CoBO4,-6.8501368078,-2.1760980398,0.0750755068,0.0750755068,GGA+U,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:B-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:B-Co-Li-O, expected Li3CoBO11 to be Li2CoBO4" +mp-756217,Li2CoBO4,-6.8523600594000005,-2.1783212914,0.0728522552,0.0728522552,GGA+U,C222_1,ABC2D4_oC32_20_a_b_ab_2c:B-Co-Li-O,16.0,ABC2D4_oC32_20_a_b_ab_2c:B-Co-Li-O +mp-752707,Li2CoBO4,-6.8550411659,-2.1810023979,0.0701711486,0.0701711486,GGA+U,Pna2_1,ABC2D4_oP32_33_a_a_2a_4a:B-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_33_a_a_5a_13a:B-Co-Li-O, expected Li5CoBO13 to be Li2CoBO4" +mp-771049,Li2CoBO4,-6.8192619628,-2.1452231948,0.1059503518,0.1059503518,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_7c3d:B-Co-Li-O, expected Li2CoBO13 to be Li2CoBO4" +mp-779364,Li2CoBO4,-6.8428971519,-2.1688583839,0.0823151627,0.0823151627,GGA+U,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Co-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_6c3d:B-Co-Li-O, expected Li2CoBO12 to be Li2CoBO4" +mp-758212,Li2Co2(SiO3)3,-7.5015236686,-2.5746090552,0.0694782841,0.0694782841,GGA+U,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Co-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_3e_3e_35e_11e:Co-Li-O-Si, expected Li3Co3Si11O35 to be Li2Co2(SiO3)3" +mp-758546,Li2Co2(SiO3)3,-7.4769935808,-2.5500789674,0.094008372,0.094008372,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Co-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Co-Li-O-Si, expected Li2Co2(Si3O11)3 to be Li2Co2(SiO3)3" +mp-758342,Li2Co2(SiO3)3,-7.4939381486,-2.5670235352,0.0770638041,0.0770638041,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Co-Li-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Co-Li-O-Si, expected Li2Co2(Si3O11)3 to be Li2Co2(SiO3)3" +mp-849671,Li5Co2(SiO5)2,-6.6703535476,-2.2451549636,0.1339507505,0.1339507505,GGA+U,Pc,A2B5C10D2_mP38_7_2a_5a_10a_2a:Co-Li-O-Si,38.0,A2B5C10D2_mP38_7_4a_10a_20a_4a:Co-Li-O-Si +mp-768758,LiCoBO3,-7.3039491541,-2.214499393,0.1763299076,0.1763299076,GGA+U,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Co-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Co-Li-O +mp-756840,LiCoBO3,-7.3488043112,-2.2593545502,0.1314747504,0.1314747504,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:B-Co-Li-O,24.0,ABCD3_aP12_2_i_i_i_3i:B-Co-Li-O +mp-756081,LiCoBO3,-7.3417437321,-2.252293971,0.1385353296,0.1385353296,GGA+U,Cc,ABCD3_mC48_9_2a_2a_2a_6a:B-Co-Li-O,24.0,"Invalid WP multiplicities - ABCD3_mC48_9_4a_4a_2a_12a:B-Co-Li-O, expected LiCo2(BO3)2 to be LiCoBO3" +mp-756053,LiCoBO3,-7.2990557142,-2.2096059531,0.1812233475,0.1812233475,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Co-Li-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Co-Li-O +mp-1581648,LiCoBO3,-7.2805330125,-2.1910832515,0.1997460492,0.1997460492,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Co-Li-O,24.0,ABCD3_oP24_62_c_c_c_3c:B-Co-Li-O +mp-756284,LiCoBO3,-7.2813152529,-2.1918654919,0.1989638088,0.1989638088,GGA+U,Pnma,ABCD3_oP24_62_c_c_c_3c:B-Co-Li-O,24.0,"Invalid WP multiplicities - ABCD3_aP24_2_3i_2i_3i_9i:B-Co-Li-O, expected Li3Co2(BO3)3 to be LiCoBO3" +mp-756744,LiCoBO3,-7.3282073914,-2.2387576303,0.1520716703,0.1520716703,GGA+U,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Co-Li-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Co-Li-O +mp-1176777,LiCoBO3,-7.3198432836,-2.2303935226,0.1604357781,0.1604357781,GGA+U,P-6,ABCD3_hP18_174_acf_j_k_2jk:B-Co-Li-O,36.0,ABCD3_hP18_174_acf_j_k_2jk:B-Co-Li-O +mp-849656,Li5Co4(Si3O10)2,-7.3388617094,-2.4970454832,0.079259252,0.079259252,GGA+U,P1,A4B5C20D6_aP35_1_4a_5a_20a_6a:Co-Li-O-Si,35.0,A4B5C20D6_aP35_1_4a_5a_20a_6a:Co-Li-O-Si +mp-753099,Li3Co2(SiO4)2,-7.1016622873,-2.4104922913,0.0517554067,0.0517554067,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si +mp-764452,Li3Co2(SiO4)2,-7.0996175687,-2.4084475727,0.0538001253,0.0538001253,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si +mp-767320,Li3Co2(SiO4)2,-7.066965178,-2.375795182,0.086452516,0.086452516,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si +mp-758567,Li3Co2(SiO4)2,-7.089276912,-2.398106916,0.064140782,0.064140782,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si +mp-764516,Li3Co2(SiO4)2,-7.0562933573,-2.3651233613,0.0971243367,0.0971243367,GGA+U,P1,A2B3C8D2_aP60_1_8a_12a_32a_8a:Co-Li-O-Si,60.0,A2B3C8D2_aP60_1_8a_12a_32a_8a:Co-Li-O-Si +mp-1177732,Li3Co2(SiO4)2,-7.070290276,-2.37912028,0.083127418,0.083127418,GGA+U,P1,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si,15.0,A2B3C8D2_aP15_1_2a_3a_8a_2a:Co-Li-O-Si +mp-777651,Li3Co2(SiO4)2,-7.0800844077,-2.3889144117,0.0733332863,0.0733332863,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Co-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_2a_5a_13a_2a:Co-Li-O-Si, expected Li5Co2Si2O13 to be Li3Co2(SiO4)2" +mp-759019,Li3Co2(SiO4)2,-7.0875968413,-2.3964268453,0.0658208527,0.0658208527,GGA+U,P2_1,A2B3C8D2_mP30_4_2a_3a_8a_2a:Co-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_4_2a_5a_13a_2a:Co-Li-O-Si, expected Li5Co2Si2O13 to be Li3Co2(SiO4)2" +mp-756892,Li3Co2(SiO4)2,-7.0568109393,-2.3656409433,0.0966067547,0.0966067547,GGA+U,C2,A2B3C8D2_mC30_5_2a_bc_4c_c:Co-Li-O-Si,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_5_2a_bc_8c_c:Co-Li-O-Si, expected Li3Co2(SiO8)2 to be Li3Co2(SiO4)2" +mp-752894,Li3Co2(SiO4)2,-7.093413484,-2.402243488,0.06000421,0.06000421,GGA+U,C2,A2B3C8D2_mC30_5_ab_ac_4c_c:Co-Li-O-Si,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_5_ab_a2c_6c_c:Co-Li-O-Si, expected Li5Co2(SiO6)2 to be Li3Co2(SiO4)2" +mp-759510,Li3Co2(SiO4)2,-7.0952918087,-2.4041218127,0.0581258853,0.0581258853,GGA+U,C2,A2B3C8D2_mC30_5_c_ac_4c_ab:Co-Li-O-Si,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_5_c_a2c_6c_ab:Co-Li-O-Si, expected Li5Co2(SiO6)2 to be Li3Co2(SiO4)2" +mp-774355,Li3Co2(SiO4)2,-7.0938276403,-2.4026576443,0.0595900537,0.0595900537,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Co-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_7_2a_4a_14a_2a:Co-Li-O-Si, expected Li2CoSiO7 to be Li3Co2(SiO4)2" +mp-781591,Li3Co2(SiO4)2,-7.0958611367,-2.4046911407,0.0575565573,0.0575565573,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Co-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_7_2a_4a_14a_2a:Co-Li-O-Si, expected Li2CoSiO7 to be Li3Co2(SiO4)2" +mp-778490,Li3Co2(SiO4)2,-7.0451774883,-2.3540074923,0.1082402057,0.1082402057,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Co-Li-O-Si,30.0,"Invalid WP multiplicities - A2B3C8D2_mP30_7_4a_3a_12a_2a:Co-Li-O-Si, expected Li3Co4(SiO6)2 to be Li3Co2(SiO4)2" +mp-758102,Li3Co2(SiO4)2,-7.09789652,-2.406726524,0.055521174,0.055521174,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Co-Li-O-Si,30.0,A2B3C8D2_mP30_7_4a_6a_16a_4a:Co-Li-O-Si +mp-759124,Li3Co2(SiO4)2,-7.097010936,-2.40584094,0.056406758,0.056406758,GGA+U,Pc,A2B3C8D2_mP30_7_2a_3a_8a_2a:Co-Li-O-Si,30.0,A2B3C8D2_mP30_7_4a_6a_16a_4a:Co-Li-O-Si +mp-757066,Li3Co2(SiO4)2,-7.0634325513,-2.3722625553,0.0899851427,0.0899851427,GGA+U,Cm,A2B3C8D2_mC30_8_b_ab_4a2b_2a:Co-Li-O-Si,15.0,"Invalid WP multiplicities - A2B3C8D2_mC30_8_b_a2b_4a4b_2a:Co-Li-O-Si, expected Li5Co2(SiO6)2 to be Li3Co2(SiO4)2" +mp-758078,Li2Co3(SiO4)2,-7.3523157771,-2.3145194526,0.0240918441,0.0240918441,GGA+U,P1,A3B2C8D2_aP45_1_9a_6a_24a_6a:Co-Li-O-Si,45.0,A3B2C8D2_aP45_1_9a_6a_24a_6a:Co-Li-O-Si +mp-752534,LiCoSiO4,-7.1989081493,-2.3090062155,0.0930479079,0.0930479079,GGA+U,P1,ABC4D_aP14_1_2a_2a_8a_2a:Co-Li-O-Si,14.0,ABC4D_aP14_1_2a_2a_8a_2a:Co-Li-O-Si +mp-763313,LiCoSiO4,-7.2069025057,-2.3170005719,0.0850535514,0.0850535514,GGA+U,P2_1,ABC4D_mP14_4_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_4_a_a_7a_a:Co-Li-O-Si, expected LiCoSiO7 to be LiCoSiO4" +mp-763246,LiCoSiO4,-7.1879820264,-2.2980800926,0.1039740307,0.1039740307,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-763253,LiCoSiO4,-7.1998857043,-2.3099837705,0.0920703529,0.0920703529,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-763255,LiCoSiO4,-7.2215172957,-2.3316153619,0.0704387614,0.0704387614,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-763256,LiCoSiO4,-7.219056245,-2.3291543112,0.0728998121,0.0728998121,GGA+U,Pc,ABC4D_mP14_7_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-758135,LiCoSiO4,-7.2223954539,-2.3324935201,0.0695606032,0.0695606032,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Co-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Co-Li-O-Si +mp-849781,LiCoSiO4,-7.1884197589,-2.2985178251,0.1035362982,0.1035362982,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Co-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Co-Li-O-Si +mp-765142,LiCoSiO4,-7.1812243457000005,-2.2913224119,0.1107317114,0.1107317114,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-762293,LiCoSiO4,-7.1839984536,-2.2940965198,0.1079576036,0.1079576036,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-759479,LiCoSiO4,-7.1453539363,-2.2554520025,0.1466021208,0.1466021208,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Co-Li-O-Si,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_15a_64a_14a:Co-Li-O-Si, expected Li15Co16(Si7O32)2 to be LiCoSiO4" +mp-752660,LiCoSiO4,-7.2187351343,-2.3288332005,0.0732209229,0.0732209229,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-758199,LiCoSiO4,-7.1338882007,-2.2439862669,0.1580678564,0.1580678564,GGA+U,P2_1/c,ABC4D_mP28_14_ad_e_4e_e:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_2ad_e_13e_e:Co-Li-O-Si, expected Li2Co3(SiO13)2 to be LiCoSiO4" +mp-759145,LiCoSiO4,-7.1969044952,-2.3070025614,0.0950515619,0.0950515619,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Co-Li-O-Si, expected LiCoSiO5 to be LiCoSiO4" +mp-759114,LiCoSiO4,-7.2024303433,-2.3125284095,0.0895257138,0.0895257138,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Co-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Co-Li-O-Si, expected Li9Co9Si9O47 to be LiCoSiO4" +mp-758607,LiCoSiO4,-7.1864139307,-2.2965119969,0.1055421264,0.1055421264,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-763240,LiCoSiO4,-7.2239038579,-2.334001924,0.0680521993,0.0680521993,GGA+U,C222_1,ABC4D_oC28_20_a_a_2c_b:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_oC28_20_a_a_3c_b:Co-Li-O-Si, expected LiCoSiO6 to be LiCoSiO4" +mp-757822,LiCoSiO4,-7.2185569259,-2.3286549921,0.0733991313,0.0733991313,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Co-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Co-Li-O-Si, expected Li5Co5Si5O29 to be LiCoSiO4" +mp-758767,LiCoSiO4,-7.2192746909,-2.3293727571,0.0726813663,0.0726813663,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Co-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Co-Li-O-Si, expected Li5Co5Si5O29 to be LiCoSiO4" +mp-758703,LiCoSiO4,-7.2036930004,-2.3137910665,0.0882630568,0.0882630568,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_11a_a:Co-Li-O-Si, expected LiCoSiO11 to be LiCoSiO4" +mp-762880,LiCoSiO4,-7.2250516232,-2.3351496894,0.0669044339,0.0669044339,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-759261,LiCoSiO4,-7.2023426864,-2.3124407526,0.0896133707,0.0896133707,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-777657,LiCoSiO4,-7.2019788939,-2.3120769601,0.0899771632,0.0899771632,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_11a_a:Co-Li-O-Si, expected LiCoSiO11 to be LiCoSiO4" +mp-778061,LiCoSiO4,-7.2158453868,-2.325943453,0.0761106704,0.0761106704,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-510760,LiCoSiO4,-7.2197890061,-2.3298870723,0.0721670511,0.0721670511,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-752951,LiCoSiO4,-7.1763169646,-2.2864150308,0.1156390925,0.1156390925,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c4d_c:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-759212,LiCoSiO4,-7.2002685893,-2.3103666555,0.0916874679,0.0916874679,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_5c4d_c:Co-Li-O-Si, expected LiCoSiO13 to be LiCoSiO4" +mp-758471,LiCoSiO4,-7.2056892646,-2.3157873308,0.0862667925,0.0862667925,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-Si,28.0,ABC4D_oC28_63_a_c_fg_c:Co-Li-O-Si +mp-759327,LiCoSiO4,-7.1500819893,-2.2601800555,0.1418740679,0.1418740679,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Co-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_c_2h2i_e:Co-Li-O-Si, expected LiCoSiO8 to be LiCoSiO4" +mp-758521,LiCoSiO4,-7.2070638657,-2.3171619319,0.0848921914,0.0848921914,GGA+U,I-4,ABC4D_tI14_82_c_a_g_b:Co-Li-O-Si,28.0,ABC4D_tI14_82_c_a_g_b:Co-Li-O-Si +mp-758617,LiCoSiO4,-7.1905823861,-2.3006804523,0.1013736711,0.1013736711,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Co-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_b_3d_c:Co-Li-O-Si, expected LiCoSiO6 to be LiCoSiO4" +mp-764945,LiCoSiO4,-7.2441000124,-2.3541980786,0.0478560448,0.0478560448,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Co-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_4b_5b_21b_5b:Co-Li-O-Si, expected Li5Co4Si5O21 to be LiCoSiO4" +mp-758423,LiCoSiO4,-7.2103950764,-2.3204931426,0.0815609807,0.0815609807,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:Co-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Co-Li-O-Si, expected LiCoSiO17 to be LiCoSiO4" +mp-765026,LiCoSiO4,-7.1809702092,-2.2910682754,0.1109858479,0.1109858479,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Co-Li-O-Si,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Co-Li-O-Si, expected LiCoSiO5 to be LiCoSiO4" +mp-759400,LiCoSiO4,-7.189146915,-2.2992449812,0.1028091421,0.1028091421,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Co-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_19c_c:Co-Li-O-Si, expected Li5Co3(SiO19)3 to be LiCoSiO4" +mp-752623,LiCoSiO4,-7.2028741526,-2.3129722188,0.0890819045,0.0890819045,GGA+U,P6_222,ABC4D_hP21_180_c_a_k_d:Co-Li-O-Si,42.0,ABC4D_hP21_180_c_a_k_d:Co-Li-O-Si +mp-759364,LiCoSiO4,-7.0212148538,-2.13131292,0.2707412033,0.2707412033,GGA+U,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Co-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_3g2i_a3d4f_37k_6h5j:Co-Li-O-Si, expected Li6Co5Si11O74 to be LiCoSiO4" +mp-753125,LiCoSiO4,-7.2130042524,-2.3231023186,0.0789518048,0.0789518048,GGA+U,P6_422,ABC4D_hP21_181_d_a_k_c:Co-Li-O-Si,42.0,ABC4D_hP21_181_d_a_k_c:Co-Li-O-Si +mp-1177143,Li5Co4(BO3)4,-7.1257600052,-2.1635313199,0.2026035223,0.2026035223,GGA+U,P1,A4B4C5D12_aP25_1_4a_4a_5a_12a:B-Co-Li-O,25.0,A4B4C5D12_aP25_1_4a_4a_5a_12a:B-Co-Li-O +mp-758904,Li5Co4(SiO4)4,-7.1634237116,-2.3763141594,0.0568745716,0.0568745716,GGA+U,Cc,A4B5C16D4_mC116_9_4a_5a_16a_4a:Co-Li-O-Si,58.0,A4B5C16D4_mC116_9_8a_10a_32a_8a:Co-Li-O-Si +mp-752511,Li2Co2SiO6,-6.8554442332,-2.0245413586,0.1413369559,0.1413369559,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Co-Li-O-Si,22.0,A2B2C6D_oC44_64_d_e_fg_a:Co-Li-O-Si +mp-770781,LiCoB2O5,-7.5455658217,-2.311180515,0.1082782832,0.1082782832,GGA+U,C2/c,A2BCD5_mC72_15_2f_f_2e_5f:B-Co-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_f_3e_17f:B-Co-Li-O, expected Li3Co2(B7O17)2 to be LiCoB2O5" +mp-1177711,Li3Co2Si3O10,-7.2903973575,-2.5300503912,0.0664947053,0.0664947053,GGA+U,P1,A2B3C10D3_aP36_1_4a_6a_20a_6a:Co-Li-O-Si,36.0,A2B3C10D3_aP36_1_4a_6a_20a_6a:Co-Li-O-Si +mp-759853,Li3Co2Si3O10,-7.2851492922,-2.524802326,0.0717427706,0.0717427706,GGA+U,P-1,A2B3C10D3_aP36_2_2i_3i_10i_3i:Co-Li-O-Si,36.0,"Invalid WP multiplicities - A2B3C10D3_aP36_2_3i_5i_19i_5i:Co-Li-O-Si, expected Li5Co3Si5O19 to be Li3Co2Si3O10" +mp-758811,Li3Co2Si3O10,-7.2725008047,-2.5121538385,0.0843912581,0.0843912581,GGA+U,Cc,A2B3C10D3_mC72_9_2a_3a_10a_3a:Co-Li-O-Si,36.0,"Invalid WP multiplicities - A2B3C10D3_mC72_9_4a_5a_14a_4a:Co-Li-O-Si, expected Li5Co4(Si2O7)2 to be Li3Co2Si3O10" +mp-1267688,Li3Co2Si3O10,-7.2839367803,-2.523589814,0.0729552825,0.0729552825,GGA+U,Cc,A2B3C10D3_mC72_9_2a_3a_10a_3a:Co-Li-O-Si,36.0,"Invalid WP multiplicities - A2B3C10D3_mC72_9_4a_5a_14a_4a:Co-Li-O-Si, expected Li5Co4(Si2O7)2 to be Li3Co2Si3O10" +mp-753262,Li2CoSi3O8,-7.537420369999999,-2.7677327051,0.0699479479,0.0699479479,GGA+U,P2_1,AB2C8D3_mP28_4_a_2a_8a_3a:Co-Li-O-Si,56.0,AB2C8D3_mP28_4_a_2a_8a_3a:Co-Li-O-Si +mp-1262735,Li2CoSi3O8,-7.5382352375,-2.7685475726,0.0691330804,0.0691330804,GGA+U,P2_1,AB2C8D3_mP28_4_a_2a_8a_3a:Co-Li-O-Si,56.0,AB2C8D3_mP28_4_a_2a_8a_3a:Co-Li-O-Si +mp-6660,BaNaBO3,-6.9823321908,-2.8555058345,0.0,-0.0317293786,GGA,C2/m,ABCD3_mC24_12_i_i_ac_ij:B-Ba-Na-O,12.0,ABCD3_mC24_12_i_i_ad_ij:B-Ba-Na-O +mp-1191513,Na3Sc(BO3)2,-7.2612232854,-2.8163098859,0.0,-0.0087339854,GGA,P2_1/c,A2B3C6D_mP24_14_e_ae_3e_d:B-Na-O-Sc,24.0,A2B3C6D_mP24_14_e_ae_3e_d:B-Na-O-Sc +mp-561018,Na3Sc2(BO3)3,-7.7960443859,-3.0201098092,0.0,-0.0073922804,GGA,R-3c,A3B3C9D2_hR102_167_e_e_ef_c:B-Na-O-Sc,34.0,"Invalid WP multiplicities - A3B3C9D2_hR102_167_e_e_5e5f_c:B-Na-O-Sc, expected Na3Sc2(BO15)3 to be Na3Sc2(BO3)3" +mp-558688,Ba2Sc2B4O11,-8.4574355005,-3.3188022902,0.0082824841,0.0082824841,GGA,C2/c,A4B2C11D2_mC76_15_2f_f_e5f_ac:B-Ba-O-Sc,38.0,"Invalid WP multiplicities - A4B2C11D2_mC76_15_3f_f_2e18f_2ac:B-Ba-O-Sc, expected Ba2Sc3(B3O19)2 to be Ba2Sc2B4O11" +mp-1182298,BaNaSc(BO3)2,-7.9425813595,-3.1595918007,0.0,-0.0120091755,GGA,R-3,A2BCD6E_hR66_148_2c_c_c_2f_ab:B-Ba-Na-O-Sc,22.0,A2BCD6E_hR66_148_2c_c_c_2f_ab:B-Ba-Na-O-Sc +mp-14972,Ba3Sc(BO3)3,-8.0735079696,-3.2830224922,0.0,-0.0114948174,GGA,P6_3cm,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Sc,96.0,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Sc +mp-17864,BaNa(B3O5)3,-8.2261931546,-2.9355640454,0.0,-0.0247496196,GGA,R3c,A9BCD15_hR156_161_3b_a_a_5b:B-Ba-Na-O,52.0,"Invalid WP multiplicities - A9BCD15_hR156_161_4b_a_a_9b:B-Ba-Na-O, expected BaNa(B4O9)3 to be BaNa(B3O5)3" +mp-555447,NaScB2O5,-8.180437795,-3.0974131843,0.0,-0.0126469894,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:B-Na-O-Sc,36.0,"Invalid WP multiplicities - A2BC5D_mP36_14_4e_e_18e_e:B-Na-O-Sc, expected NaSc(B2O9)2 to be NaScB2O5" +mp-6575,Ba4Na(BO3)3,-7.3796574873,-3.0527869716,0.0,-0.0057082737,GGA,Ia-3d,A3B4CD9_cI272_230_g_af_b_gh:B-Ba-Na-O,136.0,"Invalid WP multiplicities - A3B4CD9_cI272_230_g_af_b_4g5h:B-Ba-Na-O, expected Ba4Na(BO14)3 to be Ba4Na(BO3)3" +mp-1019554,BaNaB5O9,-8.0109518038,-2.9385357107,0.0,-0.0083174633,GGA,P2_1/c,A5BCD9_mP64_14_5e_e_e_9e:B-Ba-Na-O,64.0,A5BCD9_mP64_14_5e_e_e_9e:B-Ba-Na-O +mp-557994,Ba3Sc(BO2)9,-8.3198092881,-3.1183797182,0.006512873,0.006512873,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Sc,62.0,"Invalid WP multiplicities - A9B3C18D_hP62_176_5h5i_2a2f_10h19i_b:B-Ba-O-Sc, expected Ba6Sc(B5O16)9 to be Ba3Sc(BO2)9" +mp-16872,RbLi2Ga2(BO3)3,-7.0378240665,-2.6017684450000003,0.0041730504,0.0041730504,GGA,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Ga-Li-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_eg_g_g_e8g_f:B-Ga-Li-O-Rb, expected RbLi2Ga2B3O17 to be RbLi2Ga2(BO3)3" +mp-560010,Rb2Ga2B2O7,-6.8312541935,-2.5233415234,0.0,-0.0362700921,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:B-Ga-O-Rb,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_6e_5e_28e_5e:B-Ga-O-Rb, expected Rb5Ga5(B3O14)2 to be Rb2Ga2B2O7" +mp-556014,Li3Ga(BO3)2,-6.9250292575,-2.6088808882,0.0100405452,0.0100405452,GGA,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Ga-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_4i_i_5i_11i:B-Ga-Li-O, expected Li5GaB4O11 to be Li3Ga(BO3)2" +mp-865898,TiZnCo2,-6.1996433325,-0.3566755283,0.0,-0.1021448505,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Ti-Zn,4.0,A2BC_cF16_225_c_a_b:Co-Ti-Zn +mp-1046647,ZnCoPO5,-6.8067059400000005,-1.9923550065,0.0870608639,0.0870608639,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Co-O-P-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Co-O-P-Zn, expected ZnCoPO9 to be ZnCoPO5" +mp-2234517,ZnCoPO5,-6.8169375631,-2.0025866296,0.0768292408,0.0768292408,GGA+U,P-1,AB5CD_aP16_2_ab_5i_i_i:Co-O-P-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Co-O-P-Zn, expected ZnCoPO9 to be ZnCoPO5" +mp-1043740,ZnCo3(P2O7)2,-7.3955767548,-2.236869983,0.0623644892,0.0623644892,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Co-O-P-Zn,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Co-O-P-Zn +mp-1041038,ZnCo2P2O9,-7.0318506938,-1.9730519356,0.1134155771,0.1134155771,GGA+U,P-1,A2B9C2D_aP56_2_bcef2i_18i_4i_2i:Co-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_aP56_2_bcef2i_28i_5i_3i:Co-O-P-Zn, expected Zn3Co4P5O28 to be ZnCo2P2O9" +mp-1044114,ZnCo2(PO5)2,-6.862440812,-1.8111160569,0.1367952512,0.1367952512,GGA+U,Fddd,A2B10C2D_oF120_70_c_e2h_e_b:Co-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_70_c_2e8h_e_b:Co-O-P-Zn, expected ZnCo2(PO18)2 to be ZnCo2(PO5)2" +mp-1042595,Ti2ZnCoO7,-7.6685059899,-2.3243363156,0.2186782981,0.2186782981,GGA+U,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Co-O-Ti-Zn,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_2e_17e_7e_3e:Co-O-Ti-Zn, expected Ti7Zn3Co2O17 to be Ti2ZnCoO7" +mp-1044256,TiZnCo(PO4)3,-7.6049792225,-2.5014389182,0.0685549319,0.0685549319,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Co-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Co-O-P-Ti-Zn, expected TiZnCo(PO18)3 to be TiZnCo(PO4)3" +mp-1179702,Zn2Co4P4O23,-6.1755617691,-1.1337493817,0.6370790803,0.6370790803,GGA+U,P2_1/c,A4B23C4D2_mP132_14_4e_23e_4e_2e:Co-O-P-Zn,132.0,A4B23C4D2_mP132_14_4e_23e_4e_2e:Co-O-P-Zn +mp-1638816,ZnCoP2O7,-7.2102933559,-2.3174308653,0.0267288144,0.0267288144,GGA+U,P1,AB7C2D_aP22_1_2a_14a_4a_2a:Co-O-P-Zn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Co-O-P-Zn +mp-1367944,ZnCoP2O7,-7.211698243,-2.3188357523,0.0253239273,0.0253239273,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Co-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Co-O-P-Zn +mp-562428,ZnCoP2O7,-7.2272640152,-2.3344015246,0.0097581551,0.0097581551,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Co-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Co-O-P-Zn, expected ZnCoP7O23 to be ZnCoP2O7" +mp-1047839,ZnCo3P3O13,-7.1225365513,-1.9659586632,0.1233295063,0.1233295063,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Co-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Co-O-P-Zn, expected ZnCo5P3O34 to be ZnCo3P3O13" +mp-1359993,ZnCo2(P2O7)2,-7.2144810614,-2.1486129098,0.1159195707,0.1159195707,GGA+U,Pc,A2B14C4D_mP42_7_2a_14a_4a_a:Co-O-P-Zn,42.0,"Invalid WP multiplicities - A2B14C4D_mP42_7_3a_27a_7a_a:Co-O-P-Zn, expected ZnCo3P7O27 to be ZnCo2(P2O7)2" +mp-1518956,NaEuV4O12,-8.3559696122,-2.396224284,0.109743015,0.109743015,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-Na-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-Na-O-V, expected NaEuV4O18 to be NaEuV4O12" +mp-1210604,Na3EuV2O8,-7.5929808729,-2.4525594793,0.0725923843,0.0725923843,GGA+U,P-3m1,AB3C8D2_hP14_164_a_bd_di_d:Eu-Na-O-V,14.0,AB3C8D2_hP14_164_a_bd_di_d:Eu-Na-O-V +mp-567527,Eu(Al10V)2,-4.7331466946,-0.240262758,0.0,-0.077188908,GGA,Fd-3m,A20BC2_cF184_227_cfg_a_d:Al-Eu-V,46.0,"Invalid WP multiplicities - A20BC2_cF184_227_4c6f9g_a_d:Al-Eu-V, expected Eu(Al76V)2 to be Eu(Al10V)2" +mp-775273,Cr2Te(PO4)3,-7.7885793794,-2.3413808856,0.0935605703,0.0935605703,GGA+U,R-3c,A2B12C3D_hR108_167_c_2f_e_b:Cr-O-P-Te,36.0,"Invalid WP multiplicities - A2B12C3D_hR108_167_c_17f_e_b:Cr-O-P-Te, expected Cr2Te(PO34)3 to be Cr2Te(PO4)3" +mp-775014,Cr2Fe3Te(PO4)6,-7.830145575299999,-2.3007064482,0.0947654495,0.0947654495,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-Te,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Cr-Fe-O-P-Te, expected Cr2Fe3Te(P3O22)3 to be Cr2Fe3Te(PO4)6" +mp-1645036,FeTe(PO4)2,-7.3735674494,-2.2057806322,0.0316895119,0.0316895119,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Fe-O-P-Te,48.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_11i_2i_i:Fe-O-P-Te, expected FeTeP2O11 to be FeTe(PO4)2" +mp-756141,FeTe(PO4)2,-7.3732170081,-2.2054301909,0.0320399531,0.0320399531,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Te,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Te +mp-777003,Fe7Te(PO4)12,-7.4728246406,-2.1076166614,0.0840310694,0.0840310694,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-Te,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-Te +mp-768376,Fe5Te(PO4)6,-7.7156925767,-2.2519771307,0.0561445432,0.0561445432,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-Te,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-Te, expected Fe5Te(PO10)6 to be Fe5Te(PO4)6" +mp-568228,RbLaSi(CN2)4,-8.3787401507,-0.7155081122,0.0,-0.1136906998,GGA,I-4,A4BC8DE_tI30_82_g_a_2g_c_b:C-La-N-Rb-Si,15.0,"Invalid WP multiplicities - A4BC8DE_tI30_82_g_a_5g_c_b:C-La-N-Rb-Si, expected RbLaSi(CN5)4 to be RbLaSi(CN2)4" +mp-1105760,Rb3LaN6,-4.516679655,1.2729782323,1.8480931723,1.8480931723,GGA,R-3c,AB6C3_hR60_167_b_f_e:La-N-Rb,20.0,AB6C3_hR60_167_b_f_e:La-N-Rb +mp-579616,La2Si4CN6,-7.5409729629,-0.5547482419,0.7775041521,0.7712664005000001,GGA,Pnma,AB2C6D4_oP52_62_c_2c_2c2d_2cd:C-La-N-Si,52.0,"Invalid WP multiplicities - AB2C6D4_oP52_62_c_5c_6c8d_7c6d:C-La-N-Si, expected La5Si19CN22 to be La2Si4CN6" +mp-866650,La2Si4CN6,-8.318477115,-1.332252394,0.0,-0.0062377517,GGA,Pnma,AB2C6D4_oP52_62_c_2c_2c2d_2cd:C-La-N-Si,52.0,"Invalid WP multiplicities - AB2C6D4_oP52_62_c_3c_3c4d_2cd:C-La-N-Si, expected La3Si4CN11 to be La2Si4CN6" +mp-1245922,RbSi2N3,-7.0997611142,-0.9596519629,0.0816825509,0.0816825509,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Rb-Si,12.0,A3BC2_oC24_36_ab_a_b:N-Rb-Si +mp-1196860,KCr3BiO12,-7.0168601144,-1.5303721719,0.1092392038,0.1092392038,GGA+U,P-1,AB3CD12_aP34_2_i_3i_i_12i:Bi-Cr-K-O,34.0,AB3CD12_aP34_2_i_3i_i_12i:Bi-Cr-K-O +mp-40226,Na4Ga3Si3IO12,-6.6081919311,-2.6306278347000003,0.0,-0.0235419811,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Ga-I-Na-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Ga-I-Na-O-Si +mp-561104,Ga(IO3)3,-5.0838554396,-1.0862867109,0.0,-0.026384188,GGA,P6_3,AB3C9_hP26_173_b_c_3c:Ga-I-O,26.0,"Invalid WP multiplicities - AB3C9_hP26_173_b_c_13c:Ga-I-O, expected Ga(IO13)3 to be Ga(IO3)3" +mp-754704,Li3Co4WO8,-7.17066665,-1.7524366687,0.055195474,0.055195474,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Co-Li-O-W,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ade_cf_4i2j_b:Co-Li-O-W, expected Li3Co4WO16 to be Li3Co4WO8" +mp-779751,Li4Ti3Co3(WO8)2,-8.0574257314,-2.4249114192,0.0692955593,0.0692955593,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Ti-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Co-Li-O-Ti-W, expected Li4Ti3Co3(WO10)2 to be Li4Ti3Co3(WO8)2" +mp-754232,Li4Co3WO8,-6.9964894288,-1.9032216305,0.0400542108,0.0400542108,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Co-Li-O-W,16.0,"Invalid WP multiplicities - A3B4C8D_hR48_166_d_ae_2c2h_b:Co-Li-O-W, expected Li4Co3WO16 to be Li4Co3WO8" +mp-25289,LiCo(WO4)2,-8.1587731475,-1.9498555799,0.0968491498,0.0968491498,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Co-Li-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Co-Li-O-W +mp-552307,Li2Co(WO4)2,-8.0326703692,-2.1545216247,0.0002243188,0.0002243188,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Co-Li-O-W,26.0,AB2C8D2_aP13_2_a_i_4i_i:Co-Li-O-W +mp-1226731,CdHg4Se5,-2.476925233,-0.5152083722,0.009307556,0.009307556,GGA,I-4m2,AB4C5_tI20_119_a_2e_c2f:Cd-Hg-Se,10.0,"Invalid WP multiplicities - AB4C5_tI20_119_a_3e_c3f:Cd-Hg-Se, expected CdHg6Se7 to be CdHg4Se5" +mp-1226756,CdHg4Se5,-2.31303957,-0.3513227092,0.173193219,0.173193219,GGA,R-3m,AB4C5_hR30_166_a_2c_b2c:Cd-Hg-Se,10.0,"Invalid WP multiplicities - AB4C5_hR30_166_a_3c_b4c:Cd-Hg-Se, expected Cd(Hg2Se3)3 to be CdHg4Se5" +mp-1226729,CdHgSe2,-2.7012795425,-0.6466812724000001,0.001995955,0.001995955,GGA,P-4m2,ABC2_tP4_115_a_c_g:Cd-Hg-Se,4.0,ABC2_tP4_115_a_c_g:Cd-Hg-Se +mp-1226733,CdHgSe2,-2.6970705225,-0.6424722524,0.006204975,0.006204975,GGA,R3m,ABC2_hR12_160_a_a_2a:Cd-Hg-Se,4.0,ABC2_hR12_160_a_a_2a:Cd-Hg-Se +mp-1226897,Cd4HgSe5,-2.9164124175,-0.7689327382000001,0.0039057885,0.0039057885,GGA,P3m1,A4BC5_hP20_156_3a5b_2a_5a5b:Cd-Hg-Se,20.0,A4BC5_hP20_156_3a5b_2a_5a5b:Cd-Hg-Se +mp-542943,CdHgC4(SeN)4,-6.0726259371,0.0324353275,0.2343253275,0.2343253275,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Cd-Hg-N-Se,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Cd-Hg-N-Se +mp-24337,MgH2Cl2O,-4.6350299838,-1.7967809552,0.0,-0.0045499929,GGA,Pnma,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-Mg-O,24.0,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-Mg-O +mp-1202344,MgH12(ClO6)2,-5.1090168165,-1.2064119852,0.0071382416,0.0071382416,GGA,P2_1/c,A2B12CD12_mP54_14_e_6e_a_6e:Cl-H-Mg-O,54.0,A2B12CD12_mP54_14_e_6e_a_6e:Cl-H-Mg-O +mp-1188899,MgH4(ClO5)2,-5.0740599976,-1.0543456057,0.0062783969,0.0062783969,GGA,C2/m,A2B4CD10_mC34_12_i_j_a_3ij:Cl-H-Mg-O,17.0,A2B4CD10_mC34_12_i_j_a_3ij:Cl-H-Mg-O +mp-1203165,MgH8(ClO2)2,-4.9822176812,-1.5004899095000002,0.0,-0.0047882646,GGA,Pbcn,A2B8CD4_oP60_60_d_4d_c_2cd:Cl-H-Mg-O,60.0,A2B8CD4_oP60_60_d_4d_c_2cd:Cl-H-Mg-O +mp-1196666,MgH24(ClO6)2,-5.11332788,-1.3676088291,0.0,-0.0015410052,GGA,P2_1/c,A2B24CD12_mP78_14_e_12e_a_6e:Cl-H-Mg-O,78.0,A2B24CD12_mP78_14_e_12e_a_6e:Cl-H-Mg-O +mp-24336,MgH4(ClO)2,-4.8302060811,-1.6344688619,0.0,-0.0022940432,GGA,C2/m,A2B4CD2_mC18_12_i_j_a_g:Cl-H-Mg-O,9.0,A2B4CD2_mC18_12_i_j_a_g:Cl-H-Mg-O +mp-707373,MgH12(ClO5)2,-5.0357298698,-1.2166517489,0.0599670486,0.0599670486,GGA,P4_2/nmc,A2B12CD10_tP50_137_d_gh_a_cfg:Cl-H-Mg-O,50.0,A2B12CD10_tP50_137_d_gh_a_cfg:Cl-H-Mg-O +mp-1193165,MgH4(ClO4)2,-5.0377518827,-1.1416340667,0.0052268089,0.0052268089,GGA,P2_1/c,A2B4CD8_mP30_14_e_2e_a_4e:Cl-H-Mg-O,30.0,A2B4CD8_mP30_14_e_2e_a_4e:Cl-H-Mg-O +mp-696845,MgH12(ClO3)2,-5.0282576305,-1.4239624792,0.014832643,0.014832643,GGA,C2/m,A2B12CD6_mC42_12_i_2i2j_a_ij:Cl-H-Mg-O,21.0,A2B12CD6_mC42_12_i_2i2j_a_ij:Cl-H-Mg-O +mp-989229,MgH8(ClO6)2,-5.10861397,-1.1173345672,0.0091390583,-0.0035867663,GGA,C2,A2B8CD12_mC46_5_c_4c_a_2a5c:Cl-H-Mg-O,23.0,"Invalid WP multiplicities - A2B8CD12_mC46_5_c_7c_a_2a10c:Cl-H-Mg-O, expected MgH14(ClO11)2 to be MgH8(ClO6)2" +mp-865188,MgH8(ClO6)2,-5.1177530283,-1.1264736254,0.0,-0.0127258246,GGA,C2/m,A2B8CD12_mC46_12_i_2j_a_g3ij:Cl-H-Mg-O,23.0,"Invalid WP multiplicities - A2B8CD12_mC46_12_i_3j_a_2g6i3j:Cl-H-Mg-O, expected MgH12(ClO14)2 to be MgH8(ClO6)2" +mp-1204658,MgH16(ClO4)2,-5.044966227,-1.372578087,0.0319421533,0.0319421533,GGA,Pbca,A2B16CD8_oP108_61_c_8c_a_4c:Cl-H-Mg-O,108.0,A2B16CD8_oP108_61_c_8c_a_4c:Cl-H-Mg-O +mp-1203438,Mg2H32Ru2Cl10O17,-5.0532383087,-1.3564815894,0.0,-0.0002528819,GGA,P2_1/c,A10B32C2D17E2_mP126_14_5e_16e_e_a8e_e:Cl-H-Mg-O-Ru,126.0,A10B32C2D17E2_mP126_14_5e_16e_e_a8e_e:Cl-H-Mg-O-Ru +mp-572375,Cs2Cr4Cd(HO4)4,-6.6442873507,-1.6797018713,0.0,-0.017131334,GGA+U,P-1,AB4C2D4E16_aP27_2_a_2i_i_2i_8i:Cd-Cr-Cs-H-O,27.0,"Invalid WP multiplicities - AB4C2D4E16_aP27_2_a_2i_i_3i_14i:Cd-Cr-Cs-H-O, expected Cs2Cr4Cd(H3O14)2 to be Cs2Cr4Cd(HO4)4" +mp-1184118,Cs3CdH5,-2.5372317967,-0.2513732299,0.0,-0.1015960538,GGA,I4/mcm,AB3C5_tI36_140_b_ah_cl:Cd-Cs-H,18.0,AB3C5_tI36_140_b_ah_cl:Cd-Cs-H +mp-625094,Cd(HO)2,-4.841881754,-1.3215378995,0.00427729,-0.0061664035,GGA,P1,AB2C2_aP10_1_2a_4a_4a:Cd-H-O,10.0,AB2C2_aP10_1_2a_4a_4a:Cd-H-O +mp-625565,Cd(HO)2,-4.820174326,-1.2998304715,0.025984718,0.0155410245,GGA,C2,AB2C2_mC10_5_a_c_c:Cd-H-O,5.0,AB2C2_mC10_5_a_c_c:Cd-H-O +mp-28508,Cd(HO)2,-4.775718472,-1.2553746175,0.070440572,0.0599968785,GGA,Cm,AB2C2_mC20_8_b_2ab_2ab:Cd-H-O,10.0,AB2C2_mC20_8_b_2ab_2ab:Cd-H-O +mp-2051619,Cd(HO)2,-4.846159044,-1.3258151895,0.0,-0.0104436935,GGA,Cm,AB2C2_mC20_8_b_2ab_2ab:Cd-H-O,10.0,AB2C2_mC20_8_b_2ab_2ab:Cd-H-O +mp-625557,Cd(HO)2,-4.655803696,-1.1354598415,0.190355348,0.1799116545,GGA,P3m1,AB2C2_hP5_156_c_ab_ab:Cd-H-O,5.0,AB2C2_hP5_156_c_ab_ab:Cd-H-O +mp-625548,Cd(HO)2,-4.831079188,-1.3107353335,0.015079856,0.0046361625,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cd-H-O,5.0,AB2C2_hP5_164_a_d_d:Cd-H-O +mp-1078197,H3CBr,-4.488575583,-0.2966011915,0.0547928302,0.0547928302,GGA,Cmc2_1,ABC3_oC20_36_a_a_ab:Br-C-H,10.0,ABC3_oC20_36_a_a_ab:Br-C-H +mp-1205099,AlTeH6C2Br3,-4.4480118696,-0.5740384874000001,0.0591767055,0.0591767055,GGA,Pbcm,AB3C2D6E_oP52_57_d_de_e_3e_d:Al-Br-C-H-Te,52.0,AB3C2D6E_oP52_57_d_de_e_3e_d:Al-Br-C-H-Te +mp-1047749,Ba2YSn3O8,-6.90597144,-2.4840681365,0.1926182825,0.1926182825,GGA,P4/mmm,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-Sn-Y,14.0,"Invalid WP multiplicities - A2B8C3D_tP14_123_h_2e2g2i_b2g_c:Ba-O-Sn-Y, expected Ba2YSn5O16 to be Ba2YSn3O8" +mp-1048035,Ba2YSn3O7,-6.7174458931,-2.3359106979,0.2880428797,0.2880428797,GGA,Pmmm,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-Sn-Y,13.0,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-Sn-Y +mp-1409888,Ba2YTlSn2O7,-6.59408537,-2.3392369986,0.284716579,0.284716579,GGA,P4/mmm,A2B7C2DE_tP13_123_g_ahi_h_c_b:Ba-O-Sn-Tl-Y,13.0,"Invalid WP multiplicities - A2B7C2DE_tP13_123_g_a2h2i_h_c_b:Ba-O-Sn-Tl-Y, expected Ba2YTlSn2O13 to be Ba2YTlSn2O7" +mp-1048164,BaYSn4O7,-6.7251864073,-2.1828360648,0.2132442756,0.2132442756,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-Sn-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-Sn-Y +mp-2223105,MgTl3VS4,-4.5443575678,-0.7312558981,0.2588410719,0.2588410719,GGA,R3m,AB4C3D_hR27_160_a_ab_b_a:Mg-S-Tl-V,9.0,"Invalid WP multiplicities - AB4C3D_hR27_160_a_a2b_b_a:Mg-S-Tl-V, expected MgTl3VS7 to be MgTl3VS4" +mp-1247023,Mg2Mn3VS8,-6.3054319614,-1.1009954628,0.0655838561,0.0655838561,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-V,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-V, expected Mg2Mn3VS16 to be Mg2Mn3VS8" +mp-1247056,MgMnVS4,-6.3644850829,-1.1656278143,0.0777779229,0.0777779229,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mn-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mn-S-V, expected MgMnVS12 to be MgMnVS4" +mp-1247028,Mg2MnV3S8,-6.4165609564,-1.2232829181,0.0969492375,0.0969492375,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mn-S-V,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mn-S-V, expected Mg2MnV3S22 to be Mg2MnV3S8" +mp-2232214,MgMnTl(VS2)4,-6.5342089313,-1.0307314844,0.1750032046,0.1750032046,GGA,Cm,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V,15.0,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V +mp-2232440,MgMnTl(VS2)4,-6.59178496,-1.0883075131,0.1174271759,0.1174271759,GGA,Cm,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V,15.0,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V +mp-2232446,MgMnTl(VS2)4,-6.4920775747,-0.9886001278,0.2171345612,0.2171345612,GGA,Cm,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V,15.0,ABC8DE4_mC30_8_a_a_8a_a_4a:Mg-Mn-S-Tl-V +mp-1221701,MnVS2,-7.4303968375,-0.8006915635,0.2254484256,0.2254484256,GGA,R-3m,AB2C_hR12_166_a_c_b:Mn-S-V,4.0,AB2C_hR12_166_a_c_b:Mn-S-V +mp-1103874,MnTl(VS2)4,-6.868938725,-1.086661464,0.0456053715,0.0456053715,GGA,C2/m,AB8CD4_mC28_12_a_4i_d_2i:Mn-S-Tl-V,14.0,AB8CD4_mC28_12_a_4i_c_2i:Mn-S-Tl-V +mp-1519762,KSrPrMnO6,-6.9544307345,-2.312136163,0.1819966324,0.1819966324,GGA+U,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:K-Mn-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_2a2b_e_6m_f_cd:K-Mn-O-Pr-Sr, expected K2SrPrMnO12 to be KSrPrMnO6" +mp-1519627,KSrPrMnO6,-6.948409771,-2.3061151995,0.1880175959,0.1880175959,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Pr-Sr +mp-559332,BiTeIO3,-5.3079158867,-1.4250446355,0.0071081827,0.0071081827,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Bi-I-O-Te,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_10e_e:Bi-I-O-Te, expected BiTeIO10 to be BiTeIO3" +mp-669434,BiTeIO3,-5.1833798058,-1.3005085547,0.1316442635,0.1316442635,GGA,P4/nmm,ABC3D_tP24_129_2c_2c_ac2f_2c:Bi-I-O-Te,24.0,ABC3D_tP24_129_2c_2c_ac2f_2c:Bi-I-O-Te +mp-1182473,BiTeIO3,-4.25476352,-0.3718922688,1.0602605494,1.0602605494,GGA,P4/nmm,ABC3D_tP24_129_2c_2c_ac2f_2c:Bi-I-O-Te,24.0,"Invalid WP multiplicities - ABC3D_tP24_129_4c_4c_2a2c5f_3c:Bi-I-O-Te, expected Bi4Te3(I2O7)2 to be BiTeIO3" +mp-1194678,Bi2TeIClO8,-5.5470912850000005,-1.4148069117,0.0,-0.0243631169,GGA,Cc,A2BCD8E_mC104_9_4a_2a_2a_16a_2a:Bi-Cl-I-O-Te,52.0,A2BCD8E_mC104_9_4a_2a_2a_16a_2a:Bi-Cl-I-O-Te +mp-23435,Bi2TeI,-3.5508488238,-0.4764361979,0.0270896763,0.0270896763,GGA,R-3m,A2BC_hR24_166_2c_c_c:Bi-I-Te,8.0,A2BC_hR24_166_2c_c_c:Bi-I-Te +mp-22965,BiTeI,-3.4895459133,-0.6704921222,0.0,-0.0246591517,GGA,P3m1,ABC_hP3_156_a_b_c:Bi-I-Te,3.0,ABC_hP3_156_a_b_c:Bi-I-Te +mp-1227670,Bi10Te2I4O17,-5.6078705315,-1.526698514,0.033600614,0.033600614,GGA,Amm2,A10B4C17D2_oC66_38_3a3bf_f_a4c2d2e_ab:Bi-I-O-Te,33.0,"Invalid WP multiplicities - A10B4C17D2_oC66_38_3a3bf_f_a4c4d4e_ab:Bi-I-O-Te, expected Bi10Te2I4O25 to be Bi10Te2I4O17" +mp-1235073,LiLu2W2(ClO4)2,-7.9982788747,-2.6557677162,0.1440184066,0.1440184066,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W +mp-1235179,LiLu2W2(ClO4)2,-8.0362647693,-2.6937536109,0.106032512,0.106032512,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W +mp-1235940,LiLu2W2(ClO4)2,-7.9884348007,-2.6459236422,0.1538624806,0.1538624806,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:Cl-Li-Lu-O-W +mp-1103690,LuWClO4,-8.3464866936,-2.7587192286,0.0411762257,0.0411762257,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Cl-Lu-O-W,14.0,ABC4D_aP14_2_i_i_4i_i:Cl-Lu-O-W +mp-1190882,LiLu(WO4)2,-8.6761082087,-2.6828045807,0.0,-0.0102626764,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Li-Lu-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Li-Lu-O-W +mp-23797,LiH6ClO7,-5.0846139647,-1.168571513,0.0067006988,0.0067006988,GGA,P6_3mc,AB6CD7_hP30_186_b_d_a_b2c:Cl-H-Li-O,30.0,"Invalid WP multiplicities - AB6CD7_hP30_186_b_d_a_b7c:Cl-H-Li-O, expected LiH6ClO22 to be LiH6ClO7" +mp-760502,LiH2ClO,-4.7104571585,-1.6125370929,0.011465033,0.011465033,GGA,Cmcm,AB2CD_oC40_63_g_h_ac_f:Cl-H-Li-O,20.0,AB2CD_oC40_63_g_h_ac_f:Cl-H-Li-O +mp-1222589,LiMgH14Cl3O7,-4.9803857812,-1.473470454,0.0012303381,0.0012303381,GGA,P1,A3B14CDE7_aP26_1_3a_14a_a_a_7a:Cl-H-Li-Mg-O,26.0,A3B14CDE7_aP26_1_3a_14a_a_a_7a:Cl-H-Li-Mg-O +mp-1195620,LiH2ClO5,-5.0236793586,-1.1040843394,0.0,-0.0041569586,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Cl-H-Li-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Cl-H-Li-O +mp-530738,Li10Mg7Cl24,-4.0146201,-2.1937403718,0.009048609,0.009048609,GGA,Cm,A24B10C7_mC164_8_24a12b_20a_2a6b:Cl-Li-Mg,82.0,"Invalid WP multiplicities - A24B10C7_mC164_8_24a22b_20a_2a12b:Cl-Li-Mg, expected Li10Mg13Cl34 to be Li10Mg7Cl24" +mp-38684,Li2MgCl4,-4.0157848393,-2.1854602074,0.0065753536,0.0065753536,GGA,Imma,A4B2C_oI28_74_hi_ae_c:Cl-Li-Mg,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_2hi_a2e_c:Cl-Li-Mg, expected Li3MgCl6 to be Li2MgCl4" +mp-1120754,Li2HClO,-4.7340860275,-1.9329265976,0.0,-0.0022625628,GGA,Pnma,ABC2D_oP20_62_c_c_d_c:Cl-H-Li-O,20.0,ABC2D_oP20_62_c_c_d_c:Cl-H-Li-O +mp-643259,Li4H3ClO3,-4.9922487073,-1.8556603077,0.0,-0.0060662457,GGA,P2_1/m,AB3C4D3_mP22_11_e_ef_2ef_ef:Cl-H-Li-O,22.0,AB3C4D3_mP22_11_e_ef_2ef_ef:Cl-H-Li-O +mp-505097,Co3H2Se3O10,-6.2055703331,-1.3130688319,0.0,-0.0024182207,GGA+U,P-1,A3B2C10D3_aP36_2_be2i_2i_10i_3i:Co-H-O-Se,36.0,A3B2C10D3_aP36_2_be2i_2i_10i_3i:Co-H-O-Se +mp-744574,CoH6(SeO4)2,-5.5743225515,-1.2196162744,0.0599196871,0.0599196871,GGA+U,P2_1/c,AB6C8D2_mP34_14_a_3e_4e_e:Co-H-O-Se,34.0,AB6C8D2_mP34_14_a_3e_4e_e:Co-H-O-Se +mp-626751,Mo3(HO5)2,-7.5633996127,-1.6441136438,0.1527180977,0.1527180977,GGA+U,P-1,A2B3C10_aP30_2_2i_3i_10i:H-Mo-O,30.0,"Invalid WP multiplicities - A2B3C10_aP30_2_3i_6i_19i:H-Mo-O, expected Mo6H3O19 to be Mo3(HO5)2" +mp-1202295,CoH10SeO9,-5.4980690886,-1.2575125112,0.0187325217,0.0187325217,GGA+U,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Co-H-O-Se,42.0,AB10C9D_aP42_2_bc_10i_9i_i:Co-H-O-Se +mp-757297,CoH2SeO4,-5.9382162891,-1.2911617631,0.0141533659,0.0141533659,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Co-H-O-Se,32.0,AB2C4D_mP32_14_e_2e_4e_e:Co-H-O-Se +mp-505469,CoH2SeO4,-5.9386439972,-1.2915894712,0.0137256578,0.0137256578,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Co-H-O-Se,32.0,AB2C4D_mP32_14_e_2e_4e_e:Co-H-O-Se +mp-24417,MoH,-6.72523175,0.3939563275,0.3939563275,0.3939563275,GGA,P6_3/mmc,AB_hP4_194_c_a:H-Mo,4.0,AB_hP4_194_c_a:H-Mo +mp-975912,Mo3H,-8.13224029,0.8501788037,0.8501788037,0.8501788037,GGA,I4/mmm,AB3_tI8_139_a_bd:H-Mo,4.0,AB3_tI8_139_a_bd:H-Mo +mp-975814,Mo3H,-8.1365911825,0.8458279112,0.8458279112,0.8458279112,GGA,Fm-3m,AB3_cF16_225_a_bc:H-Mo,4.0,AB3_cF16_225_a_bc:H-Mo +mp-23967,CoH2SeO5,-5.9488469294,-1.2684997162,0.0,-0.0164511144,GGA+U,C2/c,AB2C5D_mC36_15_c_f_e2f_e:Co-H-O-Se,36.0,AB2C5D_mC36_15_c_f_e2f_e:Co-H-O-Se +mp-626099,Mo2HO6,-7.8335803278,-1.7486738242,0.0882065258,0.0882065258,GGA+U,P1,AB2C6_aP9_1_a_2a_6a:H-Mo-O,9.0,AB2C6_aP9_1_a_2a_6a:H-Mo-O +mp-626071,Mo2HO6,-7.8292088267,-1.7443023231,0.0925780269,0.0925780269,GGA+U,Pm,AB2C6_mP9_6_a_ab_3a3b:H-Mo-O,9.0,AB2C6_mP9_6_a_ab_3a3b:H-Mo-O +mp-626084,Mo2HO6,-7.8157239044,-1.7308174008,0.1060629491,0.1060629491,GGA+U,Cm,AB2C6_mC18_8_a_2a_6a:H-Mo-O,9.0,AB2C6_mC18_8_a_2a_6a:H-Mo-O +mp-866480,CoMoH2SeO7,-6.7527599692,-1.5142472649,0.0,-0.0021951216,GGA+U,P-1,AB2CD7E_aP24_2_be_2i_i_7i_i:Co-H-Mo-O-Se,24.0,"Invalid WP multiplicities - AB2CD7E_aP24_2_be_3i_i_13i_i:Co-H-Mo-O-Se, expected CoMoH3SeO13 to be CoMoH2SeO7" +mp-625731,MoH4O5,-6.3850241275,-1.4700243429,0.0694185381,0.0694185381,GGA+U,P1,A4BC5_aP20_1_8a_2a_10a:H-Mo-O,20.0,A4BC5_aP20_1_8a_2a_10a:H-Mo-O +mp-1180439,MoH4O5,-6.31334886,-1.3983490754,0.1410938056,0.1410938056,GGA+U,P1,A4BC5_aP20_1_8a_2a_10a:H-Mo-O,20.0,A4BC5_aP20_1_8a_2a_10a:H-Mo-O +mp-625679,MoH4O5,-6.2506736400000005,-1.3356738554,0.2037690256,0.2037690256,GGA+U,P-1,A4BC5_aP20_2_4i_i_abeh3i:H-Mo-O,20.0,"Invalid WP multiplicities - A4BC5_aP20_2_6i_i_abeh5i:H-Mo-O, expected MoH6O7 to be MoH4O5" +mp-1180493,MoH4O5,-6.300910905,-1.3859111204,0.1535317606,0.1535317606,GGA+U,P-1,A4BC5_aP20_2_4i_i_abeh3i:H-Mo-O,20.0,"Invalid WP multiplicities - A4BC5_aP20_2_6i_i_abeh5i:H-Mo-O, expected MoH6O7 to be MoH4O5" +mp-625744,MoH4O5,-6.3207393965,-1.4057396119,0.1337032691,0.1337032691,GGA+U,P2_1,A4BC5_mP20_4_4a_a_5a:H-Mo-O,20.0,"Invalid WP multiplicities - A4BC5_mP20_4_6a_a_7a:H-Mo-O, expected MoH6O7 to be MoH4O5" +mp-625714,MoH4O5,-6.367882502,-1.4528827174,0.0865601636,0.0865601636,GGA+U,Pc,A4BC5_mP20_7_4a_a_5a:H-Mo-O,20.0,"Invalid WP multiplicities - A4BC5_mP20_7_7a_a_6a:H-Mo-O, expected MoH7O6 to be MoH4O5" +mp-625700,MoH4O5,-6.3745766875,-1.4595769029,0.0798659781,0.0798659781,GGA+U,Pc,A4BC5_mP20_7_4a_a_5a:H-Mo-O,20.0,"Invalid WP multiplicities - A4BC5_mP20_7_6a_a_6a:H-Mo-O, expected Mo(HO)6 to be MoH4O5" +mp-728527,MoH4O5,-6.4367052619,-1.5217054772,0.0177374038,0.0177374038,GGA+U,P2_1/c,A4BC5_mP160_14_16e_4e_20e:H-Mo-O,160.0,A4BC5_mP160_14_16e_4e_20e:H-Mo-O +mp-744482,MoH4O5,-6.3111390983,-1.3961393137,0.1433035673,0.1433035673,GGA+U,P2_1/c,A4BC5_mP160_14_16e_4e_20e:H-Mo-O,160.0,A4BC5_mP160_14_16e_4e_20e:H-Mo-O +mp-1182045,CoH10(SeO5)2,-5.1717537285,-0.9328716279,0.3473212185,0.3473212185,GGA+U,C2/c,AB10C10D2_mC92_15_e_5f_2e4f_f:Co-H-O-Se,46.0,AB10C10D2_mC92_15_e_5f_2e4f_f:Co-H-O-Se +mp-626813,Mo2H2O7,-7.3571151241,-1.6204266433,0.1296071236,0.1296071236,GGA+U,P2_1,A2B2C7_mP22_4_2a_2a_7a:H-Mo-O,22.0,A2B2C7_mP22_4_2a_2a_7a:H-Mo-O +mp-673401,Mo2H2O7,-7.3456977873,-1.6090093065,0.1410244605,0.1410244605,GGA+U,P2_1/m,A2B2C7_mP22_11_2e_2e_7e:H-Mo-O,22.0,A2B2C7_mP22_11_2e_2e_7e:H-Mo-O +mp-1221516,MoHO3,-7.48731844,-1.6716299823,0.0913897086,0.0913897086,GGA+U,C2,ABC3_mC20_5_c_c_3c:H-Mo-O,10.0,ABC3_mC20_5_c_c_3c:H-Mo-O +mp-728012,CoH4SeO5,-5.6752953427,-1.2290610692,0.0699101211,0.0699101211,GGA+U,P2_1/c,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se,44.0,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se +mp-541300,CoH4SeO5,-5.687864447,-1.2416301735,0.0573410168,0.0573410168,GGA+U,P2_1/c,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se,44.0,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se +mp-766415,CoH4SeO5,-5.6812552066,-1.2350209331,0.0639502573,0.0639502573,GGA+U,P2_1/c,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se,44.0,"Invalid WP multiplicities - AB4C5D_mP44_14_e_15e_19e_e:Co-H-O-Se, expected CoH15SeO19 to be CoH4SeO5" +mp-1181790,CoH4SeO5,-5.7333397361,-1.2871054626,0.0118657277,0.0118657277,GGA+U,P2_1/c,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se,44.0,AB4C5D_mP44_14_e_4e_5e_e:Co-H-O-Se +mp-625547,Mo(HO2)2,-6.9078265743,-1.5624184250000002,0.0873339677,0.0873339677,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_1_4a_2a_8a:H-Mo-O +mp-795950,Mo(HO2)2,-2.1709613993,3.17444675,4.8241991427,4.8241991427,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_1_4a_2a_8a:H-Mo-O +mp-626555,Mo(HO2)2,-6.915800055,-1.5703919057,0.079360487,0.079360487,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_1_4a_2a_8a:H-Mo-O +mp-626556,Mo(HO2)2,-6.8862416464,-1.5408334971,0.1089188955,0.1089188955,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_1_4a_2a_8a:H-Mo-O +mp-625576,Mo(HO2)2,-6.9627298121,-1.6173216629,0.0324307298,0.0324307298,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_2_2i_i_4i:H-Mo-O +mp-673434,Mo(HO2)2,-5.2548742436,0.0905339057,1.7402862984,1.7402862984,GGA+U,P1,A2BC4_aP14_1_4a_2a_8a:H-Mo-O,14.0,A2BC4_aP14_1_4a_2a_8a:H-Mo-O +mp-625532,Mo(HO2)2,-6.8575234279,-1.5121152786,0.1376371141,0.1376371141,GGA+U,P-1,A2BC4_aP14_2_2i_i_4i:H-Mo-O,14.0,A2BC4_aP14_2_2i_i_4i:H-Mo-O +mp-626540,Mo(HO2)2,-6.9635064029,-1.6180982536,0.0316541391,0.0316541391,GGA+U,P-1,A2BC4_aP14_2_2i_i_4i:H-Mo-O,14.0,"Invalid WP multiplicities - A2BC4_aP14_2_3i_i_4i:H-Mo-O, expected MoH3O4 to be Mo(HO2)2" +mp-675208,Co(Mo3Se4)4,-7.4081260555,-0.7463776846,0.0734674076,0.0734674076,GGA,P1,AB12C16_aP29_1_a_12a_16a:Co-Mo-Se,29.0,AB12C16_aP29_1_a_12a_16a:Co-Mo-Se +mp-1197298,CuAs12P4S12Cl,-4.8558220858,-0.4175629985,0.0,-0.0305623331,GGA,P31c,A12BCD4E12_hP120_159_8c_2b_ab_ab2c_8c:As-Cl-Cu-P-S,120.0,A12BCD4E12_hP120_159_8c_2b_ab_ab2c_8c:As-Cl-Cu-P-S +mp-558199,CuAs4S3Cl,-4.5649091803,-0.4545128969,0.0042297848,0.0042297848,GGA,Pbcm,A4BCD3_oP36_57_2de_d_c_de:As-Cl-Cu-S,36.0,"Invalid WP multiplicities - A4BCD3_oP36_57_7d4e_d_c_3d4e:As-Cl-Cu-S, expected CuAs15S11Cl to be CuAs4S3Cl" +mp-554511,Cu7P12S9Cl7,-4.6867120719,-0.5775154378,0.0157086143,0.0157086143,GGA,P6_3mc,A7B7C12D9_hP70_186_b2c_b2c_2cd_cd:Cl-Cu-P-S,70.0,"Invalid WP multiplicities - A7B7C12D9_hP70_186_2b7c_2b7c_12c6d_4c4d:Cl-Cu-P-S, expected Cu23P72S36Cl23 to be Cu7P12S9Cl7" +mp-560845,Cu2As4S3Cl2,-4.4157044205,-0.5119489768000001,0.0286058974,0.0286058974,GGA,P2_1/m,A4B2C2D3_mP22_11_2ef_2e_f_ef:As-Cl-Cu-S,22.0,"Invalid WP multiplicities - A4B2C2D3_mP22_11_4e3f_3e_f_e2f:As-Cl-Cu-S, expected Cu2As10S5Cl3 to be Cu2As4S3Cl2" +mp-1203697,CuAs7PS7Cl,-4.7339283278,-0.4439269313,0.0016415986,0.0016415986,GGA,P2_1/c,A7BCDE7_mP68_14_7e_e_e_e_7e:As-Cl-Cu-P-S,68.0,A7BCDE7_mP68_14_7e_e_e_e_7e:As-Cl-Cu-P-S +mp-559558,Cu3P8(S2Cl)3,-4.8452725218,-0.5468550595,0.0,-0.0154929854,GGA,Pnma,A3B3C8D6_oP80_62_cd_cd_4d_3d:Cl-Cu-P-S,80.0,"Invalid WP multiplicities - A3B3C8D6_oP80_62_4c4d_4c4d_22d_16d:Cl-Cu-P-S, expected Cu3P11S8Cl3 to be Cu3P8(S2Cl)3" +mp-1519985,BaSrCaWO6,-7.774541506,-2.9493084289,0.092671158,0.092671158,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Ca-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Ca-O-Sr-W, expected BaSrCaWO12 to be BaSrCaWO6" +mp-1521005,BaSrCaWO6,-7.852419558,-3.0271864809,0.014793106,0.014793106,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ca-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ca-O-Sr-W, expected BaSrCaWO12 to be BaSrCaWO6" +mp-1227701,BaSrCaWO6,-7.853069081,-3.0278360039,0.014143583,0.014143583,GGA+U,Cm,ABC6DE_mC20_8_a_a_2a2b_a_a:Ba-Ca-O-Sr-W,10.0,"Invalid WP multiplicities - ABC6DE_mC20_8_a_a_2a3b_a_a:Ba-Ca-O-Sr-W, expected BaSrCaWO8 to be BaSrCaWO6" +mp-1519963,BaSrCaWO6,-7.768252882,-2.9430198049,0.098959782,0.098959782,GGA+U,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Ca-O-Sr-W,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Ca-O-Sr-W +mp-1521012,BaSrCaWO6,-7.84881391,-3.0235808329,0.018398754,0.018398754,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ca-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Ca-O-Sr-W +mp-1519956,BaSrCaWO6,-7.734816827,-2.9095837499,0.132395837,0.132395837,GGA+U,P-4n2,ABC6DE_tP20_118_c_d_ei_a_b:Ba-Ca-O-Sr-W,20.0,ABC6DE_tP20_118_c_d_ei_a_b:Ba-Ca-O-Sr-W +mp-1519955,BaSrCaWO6,-7.637255385,-2.8120223079,0.229957279,0.229957279,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sr-W +mp-1521237,BaSrCaWO6,-7.825433427,-3.0002003499,0.041779237,0.041779237,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Sr-W +mp-1228515,Ba8Sr3Ca(WO6)4,-7.805631307,-2.9811580633,0.004121629,0.004121629,GGA+U,P-1,A8BC24D3E4_aP40_2_4i_a_12i_ei_2i:Ba-Ca-O-Sr-W,40.0,"Invalid WP multiplicities - A8BC24D3E4_aP40_2_7i_a_24i_e2i_3i:Ba-Ca-O-Sr-W, expected Ba14Sr5Ca(WO8)6 to be Ba8Sr3Ca(WO6)4" +mp-1228251,Ba8SrCa3(WO6)4,-7.853791675,-3.0135131099,0.003913419,0.003913419,GGA+U,P-1,A8B3C24DE4_aP40_2_4i_ai_12i_e_2i:Ba-Ca-O-Sr-W,40.0,"Invalid WP multiplicities - A8B3C24DE4_aP40_2_7i_a2i_24i_e_3i:Ba-Ca-O-Sr-W, expected Ba14SrCa5(WO8)6 to be Ba8SrCa3(WO6)4" +mp-1105247,Sr2CaWO6,-7.852744155,-3.0504592266,0.0,-0.0259293298,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Ca-O-Sr-W,20.0,AB6C2D_mP20_14_a_3e_e_b:Ca-O-Sr-W +mp-1179258,Sr2CaWO6,-7.7798677405,-2.9775828121,0.0728764145,0.0469470847,GGA+U,Pmm2,AB6C2D_oP20_25_ad_ef2g2h_ef_bc:Ca-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_oP20_25_ad_2ef4g4h_2e2f_bc:Ca-O-Sr-W, expected Sr4CaWO11 to be Sr2CaWO6" +mp-1078671,Sr2CaWO6,-7.831987742,-3.0297028136,0.020756413,-0.0051729168,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Ca-O-Sr-W,10.0,AB6C2D_tI20_87_a_eh_d_b:Ca-O-Sr-W +mp-18981,Sr2CaWO6,-7.779724356,-2.9774394276,0.073019799,0.0470904692,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ca-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Ca-O-Sr-W +mp-1228115,Ba3SrCa2(WO6)2,-7.8619354295,-3.0252282781,0.012511489,0.012511489,GGA+U,P1,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Ba-Ca-O-Sr-W,20.0,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Ba-Ca-O-Sr-W +mp-1235662,LiY2(FeO2)4,-8.1158289493,-2.2294649744,0.2061111624,0.2061111624,GGA+U,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Fe-Li-O-Y,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a4b_2a:Fe-Li-O-Y, expected LiY2(FeO3)4 to be LiY2(FeO2)4" +mp-1235592,LiY2(FeO2)4,-8.093490296,-2.2071263211,0.2284498158,0.2284498158,GGA+U,C2/m,A4BC8D2_mC30_12_ace_b_2ij_i:Fe-Li-O-Y,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_12_bcf_a_4i2j_i:Fe-Li-O-Y, expected LiY2(FeO4)4 to be LiY2(FeO2)4" +mp-1235896,LiY2(FeO2)4,-8.046495012,-2.1601310371,0.2754450998,0.2754450998,GGA+U,R3m,A4BC8D2_hR45_160_ab_a_2a2b_2a:Fe-Li-O-Y,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2ab_a_4a4b_2a:Fe-Li-O-Y, expected LiY2(FeO3)4 to be LiY2(FeO2)4" +mp-756449,Li4Y3FeO8,-7.5798396131,-2.8874248815,0.0533381663,0.0533381663,GGA+U,C222,AB4C8D3_oC32_21_a_bdk_efl_ck:Fe-Li-O-Y,64.0,AB4C8D3_oC32_21_a_bdk_efl_ck:Fe-Li-O-Y +mp-1187277,Tb2Y2O5,-8.47287024,-3.2578571308,0.4266608848,0.4266608848,GGA,P4/mmm,A5B2C2_tP9_123_ci_h_ab:O-Tb-Y,9.0,"Invalid WP multiplicities - A5B2C2_tP9_123_c2i_h_ab:O-Tb-Y, expected Tb2Y2O9 to be Tb2Y2O5" +mp-1520808,PrEuHfVO6,-9.706207823,-3.3302943308,0.1361515893,0.1361515893,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Pr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Pr-V +mp-1033873,BaMg14CO16,-6.0591292491,-2.537298608,0.4329333421,0.4329333421,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-C-Mg-O, expected BaMg18CO20 to be BaMg14CO16" +mp-1033846,BaMg14CO16,-6.0574117359,-2.5355810949,0.4346508553,0.4346508553,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-C-Mg-O, expected BaMg30CO32 to be BaMg14CO16" +mp-1037905,BaCaMg30O32,-6.2482037291,-2.9634066184,0.091347862,0.091347862,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-Ca-Mg-O, expected BaCaMg110O72 to be BaCaMg30O32" +mp-1038013,BaCaMg30O32,-6.2366961462,-2.9518990356,0.1028554448,0.1028554448,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-Ca-Mg-O, expected BaCaMg90O80 to be BaCaMg30O32" +mp-1031857,BaCaMg6O8,-5.9445976675,-2.6258623669,0.4310346569,0.4310346569,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-Ca-Mg-O, expected BaCaMg6O12 to be BaCaMg6O8" +mp-1031868,BaCaMg6O8,-6.0319254894,-2.7131901887,0.343706835,0.343706835,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-Ca-Mg-O, expected BaCaMg6O12 to be BaCaMg6O8" +mp-1026576,BaMg14C,-1.8380369906,0.2589355802,0.3000443679,0.3000443679,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-C-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-C-Mg, expected BaMg18C to be BaMg14C" +mp-1026511,BaMg14C,-1.7336262269,0.3633463439,0.4044551317,0.4044551317,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-C-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-C-Mg, expected BaMg26C to be BaMg14C" +mp-1016658,BaMg6C,-2.3115885438,0.2820765478,0.3451171623,0.3451171623,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-C-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-C-Mg, expected BaMg12C to be BaMg6C" +mp-1016659,BaMg6C,-2.2572953863,0.3363697053,0.3994103198,0.3994103198,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-C-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ba-C-Mg +mp-1033422,BaMg6CO8,-5.7846003269,-2.0144234255,0.8720001755000001,0.8720001755000001,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ba-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ba-C-Mg-O, expected BaMg6CO12 to be BaMg6CO8" +mp-1033432,BaMg6CO8,-5.7942926281,-2.0241157267,0.8623078743,0.8623078743,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ba-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ba-C-Mg-O, expected BaMg6CO12 to be BaMg6CO8" +mp-1038610,BaMg30CO32,-6.2045809053,-2.8069233945,0.2052127303,0.2052127303,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ba-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ba-C-Mg-O, expected BaMg90CO80 to be BaMg30CO32" +mp-1038625,BaMg30CO32,-6.2040845189,-2.8064270081,0.2057091167,0.2057091167,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ba-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ba-C-Mg-O, expected BaMg110CO72 to be BaMg30CO32" +mp-1228574,Ba6Ca6Mg(CO3)13,-7.8581781857,-2.6575437224,0.0112216543,0.0112216543,GGA,R3,A6B13C6DE39_hR195_146_2b_a4b_2b_a_13b:Ba-C-Ca-Mg-O,65.0,A6B13C6DE39_hR195_146_2b_a4b_2b_a_13b:Ba-C-Ca-Mg-O +mp-1080511,BaMg(CO2)2,-7.1551473237,-1.9347297212,0.5062841459,0.5062841459,GGA,C2/m,AB2CD4_mC16_12_a_i_d_j:Ba-C-Mg-O,8.0,AB2CD4_mC16_12_a_i_c_j:Ba-C-Mg-O +mp-1036323,BaCaMg14O16,-6.1263166334,-2.8302067928,0.2252618688,0.2252618688,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ba-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ba-Ca-Mg-O, expected BaCaMg18O20 to be BaCaMg14O16" +mp-1036305,BaCaMg14O16,-6.1503414394,-2.8542315987,0.2012370628,0.2012370628,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ba-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ba-Ca-Mg-O, expected BaCaMg30O32 to be BaCaMg14O16" +mp-1188713,BaMg(CO3)2,-7.7251499875,-2.5594781632,0.007172608,0.007172608,GGA,C2/c,AB2CD6_mC40_15_e_f_c_3f:Ba-C-Mg-O,20.0,AB2CD6_mC40_15_e_f_a_3f:Ba-C-Mg-O +mp-6504,BaMg(CO3)2,-7.727174939,-2.5615031147,0.0051476565,0.0051476565,GGA,R-3m,AB2CD6_hR30_166_a_c_b_h:Ba-C-Mg-O,10.0,AB2CD6_hR30_166_a_c_b_h:Ba-C-Mg-O +mp-1205395,BaMg(CO3)2,-7.7288184255,-2.5631466013,0.00350417,0.00350417,GGA,R-3c,AB2CD6_hR60_167_a_c_b_f:Ba-C-Mg-O,20.0,AB2CD6_hR60_167_a_c_b_f:Ba-C-Mg-O +mp-704577,Na2Co2(B4O7)3,-8.0498233458,-2.6202327955,0.0815172497,0.0815172497,GGA+U,C2/c,A12B2C2D21_mC148_15_6f_f_f_e10f:B-Co-Na-O,74.0,"Invalid WP multiplicities - A12B2C2D21_mC148_15_21f_f_f_2e37f:B-Co-Na-O, expected NaCoB21O38 to be Na2Co2(B4O7)3" +mp-771767,Na2CoBAsO7,-6.5193900196,-1.8761650582,0.1131767726,0.1131767726,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-B-Co-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-B-Co-Na-O, expected Na2CoBAsO13 to be Na2CoBAsO7" +mp-773604,Na3Co(BO3)2,-6.6786181304,-2.1690506734,0.099588758,0.099588758,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Co-Na-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_23e:B-Co-Na-O, expected Na11CoB7O23 to be Na3Co(BO3)2" +mp-1653181,Na3CoBAsO7,-6.3923775081,-2.0045909827,0.0901728971,0.0901728971,GGA+U,P-1,ABCD3E7_aP52_2_2i_2i_2i_6i_14i:As-B-Co-Na-O,52.0,"Invalid WP multiplicities - ABCD3E7_aP52_2_4i_4i_2i_12i_28i:As-B-Co-Na-O, expected Na6CoB2(AsO7)2 to be Na3CoBAsO7" +mp-1650015,Na3CoBAsO7,-6.3962489473,-2.0084624219,0.0863014579,0.0863014579,GGA+U,Pm,ABCD3E7_mP26_6_ab_ab_ab_ab2c_5a5b2c:As-B-Co-Na-O,26.0,ABCD3E7_mP26_6_ab_ab_ab_ab2c_5a5b2c:As-B-Co-Na-O +mp-1577240,Na3CoBAsO7,-6.4017086371,-2.0139221117,0.0808417681,0.0808417681,GGA+U,Cm,ABCD3E7_mC104_8_2ab_2ab_2ab_2a5b_10a9b:As-B-Co-Na-O,52.0,"Invalid WP multiplicities - ABCD3E7_mC104_8_2ab_2ab_2a2b_2a8b_10a12b:As-B-Co-Na-O, expected Na9Co3B2As2O17 to be Na3CoBAsO7" +mp-771066,Na3CoBAsO7,-6.4051617767,-2.0173752514,0.0773886285,0.0773886285,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Co-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Co-Na-O +mp-1194999,NaCo2As3O10,-6.61486152,-1.6783988193,0.0072179808,0.0072179808,GGA+U,P-1,A3B2CD10_aP32_2_3i_2i_i_10i:As-Co-Na-O,32.0,A3B2CD10_aP32_2_3i_2i_i_10i:As-Co-Na-O +mp-1101692,NaCoBO3,-7.1106565421,-2.1189397099,0.1597420874,0.1597420874,GGA+U,C2/c,ABCD3_mC24_15_e_a_e_ef:B-Co-Na-O,24.0,ABCD3_mC24_15_e_c_e_ef:B-Co-Na-O +mp-1217786,SrYGa3O7,-7.1551851967,-2.8329290623,0.0247190201,0.0247190201,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Ga-O-Sr-Y,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Ga-O-Sr-Y, expected SrYGa5O19 to be SrYGa3O7" +mp-1048099,Sr2Y2Ti2O7,-8.3945480669,-3.2614915942,0.1327363425,0.1327363425,GGA,Ima2,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-Ti-Y,26.0,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-Ti-Y +mp-11445,Y(TiGa2)2,-5.4515403843,-0.5415633505,0.0124142771,0.0124142771,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:Ga-Ti-Y,7.0,A4B2C_tI14_139_h_d_a:Ga-Ti-Y +mp-1048233,Sr2YTi2O7,-8.3744975371,-3.3525589511,0.2047978663,0.2047978663,GGA,Ima2,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-Ti-Y,24.0,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-Ti-Y +mp-1048031,Sr2YTi2GaO7,-7.907777065,-3.0392109839,0.2737654815,0.2737654815,GGA,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Ga-O-Sr-Ti-Y,26.0,"Invalid WP multiplicities - AB7C2D2E_oI52_46_b_2b7c_c_c_a:Ga-O-Sr-Ti-Y, expected Sr2YTi2GaO16 to be Sr2YTi2GaO7" +mp-18936,NdFe3(BO3)4,-8.3860792635,-2.5732771295,0.0094843963,0.0094843963,GGA+U,R32,A4B3CD12_hR60_155_ad_e_b_2df:B-Fe-Nd-O,20.0,"Invalid WP multiplicities - A4B3CD12_hR60_155_ad_e_b_2d2f:B-Fe-Nd-O, expected NdFe3(B2O9)2 to be NdFe3(BO3)4" +mp-1220241,NdFe6Bi(BO3)8,-8.202519958,-2.4129092815,0.02152605,0.02152605,GGA+U,R32,A8BC6DE24_hR120_155_cf_a_de_b_4f:B-Bi-Fe-Nd-O,40.0,"Invalid WP multiplicities - A8BC6DE24_hR120_155_cf_a_2d3e_b_13f:B-Bi-Fe-Nd-O, expected NdFe15Bi(B4O39)2 to be NdFe6Bi(BO3)8" +mp-1521285,CaTbEuVO6,-7.8472231453,-2.2811225335,1.0063723127,1.0063723127,GGA+U,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ca-Eu-O-Tb-V,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ca-Eu-O-Tb-V +mp-1521501,CaTbEuVO6,-8.641290175,-3.0751895633,0.2123052829,0.2123052829,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Tb-V,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-Tb-V +mp-1520112,TbEu2VO6,-9.51808774,-3.1268469362,0.1521789227,0.1521789227,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-Tb-V,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-Tb-V +mp-1041465,MgMo3P3O13,-8.157428128,-2.4232235707,0.0410702817,0.0410702817,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Mg-Mo-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Mg-Mo-O-P, expected MgMo5P3O34 to be MgMo3P3O13" +mp-1233388,Ba2MgMo4(P2O7)4,-7.9720737435,-2.6084799217,0.1068653755,0.1068653755,GGA+U,P1,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P,43.0,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P +mp-1233539,Ba2MgMo4(P2O7)4,-7.9603955914,-2.5968017696,0.1185435276,0.1185435276,GGA+U,P1,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P,43.0,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P +mp-1234519,Ba2MgMo4(P2O7)4,-7.9868445665,-2.6232507447,0.0920945525,0.0920945525,GGA+U,P1,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P,43.0,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P +mp-1234737,Ba2MgMo4(P2O7)4,-7.9773012837,-2.6137074619,0.1016378353,0.1016378353,GGA+U,P1,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P,43.0,A2BC4D28E8_aP43_1_2a_a_4a_28a_8a:Ba-Mg-Mo-O-P +mp-1233692,Ba2MgMo4(P2O7)4,-7.9910406888,-2.627446867,0.0878984302,0.0878984302,GGA+U,C2,A2BC4D28E8_mC86_5_c_a_abc_14c_4c:Ba-Mg-Mo-O-P,43.0,"Invalid WP multiplicities - A2BC4D28E8_mC86_5_c_a_abc_16c_4c:Ba-Mg-Mo-O-P, expected Ba2MgMo4(PO4)8 to be Ba2MgMo4(P2O7)4" +mp-555876,BaMo2(PO4)4,-8.0214799809,-2.6123276084,0.0,-0.0037922123,GGA+U,P2_1/c,AB2C16D4_mP46_14_a_e_8e_2e:Ba-Mo-O-P,46.0,"Invalid WP multiplicities - AB2C16D4_mP46_14_a_e_27e_4e:Ba-Mo-O-P, expected BaMo2(P4O27)2 to be BaMo2(PO4)4" +mp-557226,BaMo2(PO4)4,-8.0138285824,-2.6046762099,0.0076513985,0.0038591862,GGA+U,P2_1/c,AB2C16D4_mP46_14_a_e_8e_2e:Ba-Mo-O-P,46.0,"Invalid WP multiplicities - AB2C16D4_mP46_14_a_e_28e_3e:Ba-Mo-O-P, expected BaMo2(P3O28)2 to be BaMo2(PO4)4" +mp-2218590,BaMgMo(PO4)2,-7.6031658723,-2.6212412721,0.253986249,0.253986249,GGA+U,Cm,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Ba-Mg-Mo-O-P,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_8_a_a_a_4a4b_2a:Ba-Mg-Mo-O-P, expected BaMgMo(PO6)2 to be BaMgMo(PO4)2" +mp-555338,BaMo2(PO6)2,-8.0291169024,-2.5116378019,0.0,-0.015819739,GGA+U,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Ba-Mo-O-P,34.0,"Invalid WP multiplicities - AB2C12D2_mP34_14_a_e_22e_e:Ba-Mo-O-P, expected BaMo2(PO22)2 to be BaMo2(PO6)2" +mp-1040870,MgMo2P2O9,-8.1004697654,-2.4834423593,0.0278409938,0.0278409938,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Mg-Mo-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Mg-Mo-O-P, expected MgMo2P2O11 to be MgMo2P2O9" +mp-1096841,BaMoP2,-6.3909632225,-0.4931557067,0.3269026827,0.3269026827,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Ba-Mo-P,8.0,ABC2_hP8_194_a_b_f:Ba-Mo-P +mp-2217620,MgMoP2O7,-7.7147744518,-2.4511966198,0.1870387685,0.1870387685,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mo-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mo-O-P +mp-2217940,MgMoP2O7,-7.6933866218,-2.4298087898,0.2084265985,0.2084265985,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mo-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mo-O-P +mp-2217749,MgMoP2O7,-7.8199973555,-2.5564195234,0.0818158649,0.0818158649,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Mg-Mo-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Mg-Mo-O-P, expected MgMoP2O13 to be MgMoP2O7" +mp-557147,BaMo4(PO8)2,-8.2092441717,-2.3277137468,0.0754262488,0.0754262488,GGA+U,I-42m,AB4C16D2_tI46_121_a_i_2ij_c:Ba-Mo-O-P,23.0,"Invalid WP multiplicities - AB4C16D2_tI46_121_a_i_7i4j_c:Ba-Mo-O-P, expected BaMo4(PO30)2 to be BaMo4(PO8)2" +mp-554339,Ba3Mo2(P2O9)2,-7.968383527,-2.8520193837,0.0,-0.0016582499,GGA+U,P-1,A3B2C18D4_aP54_2_3i_2i_18i_4i:Ba-Mo-O-P,54.0,"Invalid WP multiplicities - A3B2C18D4_aP54_2_4i_2i_34i_6i:Ba-Mo-O-P, expected Ba2MoP3O17 to be Ba3Mo2(P2O9)2" +mp-2228619,MgMo2(PO5)2,-8.0152734487,-2.4429352889,0.0966197296,0.0966197296,GGA+U,P1,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mo-O-P,15.0,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mo-O-P +mp-2228683,MgMo2(PO5)2,-8.078485064,-2.5061469043,0.0334081142,0.0334081142,GGA+U,P1,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mo-O-P,15.0,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mo-O-P +mp-2228664,MgMo2(PO5)2,-8.0110971607,-2.4387590009,0.1007960176,0.1007960176,GGA+U,P-1,AB2C10D2_aP15_2_a_i_5i_i:Mg-Mo-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_aP15_2_a_i_9i_i:Mg-Mo-O-P, expected MgMo2(PO9)2 to be MgMo2(PO5)2" +mp-2228652,MgMo2(PO5)2,-8.0723332647,-2.4999951049,0.0395599136,0.0395599136,GGA+U,P-1,AB2C10D2_aP15_2_a_bc_5i_i:Mg-Mo-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_aP15_2_a_bc_8i_i:Mg-Mo-O-P, expected MgMo2(PO8)2 to be MgMo2(PO5)2" +mp-1044052,MgMo2(PO5)2,-7.9994794087,-2.4271412489,0.1124137696,0.1124137696,GGA+U,Fdd2,AB2C10D2_oF120_43_a_b_5b_b:Mg-Mo-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Mg-Mo-O-P, expected MgMo2(PO18)2 to be MgMo2(PO5)2" +mp-2228679,MgMo2(PO5)2,-7.8589268047,-2.2865886449,0.2529663736,0.2529663736,GGA+U,P-4,AB2C10D2_tP15_81_b_g_g2h_ac:Mg-Mo-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_81_b_g_g6h_ac:Mg-Mo-O-P, expected MgMo2(PO13)2 to be MgMo2(PO5)2" +mp-555195,BaMo2P3O14,-8.0301573517,-2.5749661199,0.0,-0.0054316792,GGA+U,Cc,AB2C14D3_mC80_9_a_2a_14a_3a:Ba-Mo-O-P,40.0,"Invalid WP multiplicities - AB2C14D3_mC80_9_a_2a_24a_5a:Ba-Mo-O-P, expected BaMo2P5O24 to be BaMo2P3O14" +mp-16802,BaMo2(P2O7)2,-8.1483560252,-2.6951594946,0.0,-0.0396245215,GGA+U,C2/c,AB2C14D4_mC84_15_c_ae_7f_2f:Ba-Mo-O-P,42.0,"Invalid WP multiplicities - AB2C14D4_mC84_15_a_ce_10f_2f:Ba-Mo-O-P, expected BaMo2(PO5)4 to be BaMo2(P2O7)2" +mp-1542939,BaMo(PO4)2,-8.0780083425,-2.8142800297,0.0,-0.0308868475,GGA+U,P-1,ABC8D2_aP12_2_a_b_4i_i:Ba-Mo-O-P,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_a_b_7i_i:Ba-Mo-O-P, expected BaMo(PO7)2 to be BaMo(PO4)2" +mp-555549,BaMo(PO4)2,-8.0771737508,-2.8134454381,0.0008345917,-0.0300522558,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ba-Mo-O-P,12.0,"Invalid WP multiplicities - ABC8D2_mC24_12_a_d_3i4j_i:Ba-Mo-O-P, expected BaMo(PO11)2 to be BaMo(PO4)2" +mp-541255,BaMo2(PO4)3,-8.1767059161,-2.6650144042,0.0137889263,0.0137889263,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Ba-Mo-O-P,36.0,AB2C12D3_hR108_167_b_c_2f_e:Ba-Mo-O-P +mp-1369855,TiZn2WO6,-7.5771111155,-2.2717869421,0.1085289246,0.1085289246,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-Ti-W-Zn,20.0,A6BCD2_mP20_14_3e_a_b_e:O-Ti-W-Zn +mp-1047266,TiZn2WO6,-7.602543298,-2.2972191246,0.0830967421,0.0830967421,GGA+U,R3,A6BCD2_hR30_146_2b_a_a_2a:O-Ti-W-Zn,10.0,"Invalid WP multiplicities - A6BCD2_hR30_146_6b_a_a_2a:O-Ti-W-Zn, expected TiZn2WO18 to be TiZn2WO6" +mp-1096563,Ti2ZnW,-4.138359415,3.3638550533,3.48137471,3.48137471,GGA,Immm,A2BC_oI8_71_e_a_b:Ti-W-Zn,4.0,A2BC_oI8_71_e_a_b:Ti-W-Zn +mp-1228110,Ba3TiZnWO9,-7.7561194513,-2.9300868461,0.0045084893,0.0045084893,GGA+U,P6_3mc,A3B9CDE_hP30_186_a2b_3c_b_b_a:Ba-O-Ti-W-Zn,30.0,"Invalid WP multiplicities - A3B9CDE_hP30_186_a4b_5c_b_b_a:Ba-O-Ti-W-Zn, expected Ba5TiZnWO15 to be Ba3TiZnWO9" +mp-1178657,ZnFeO2F5,-5.2172733939,-1.9749914961,0.0654077884,0.0654077884,GGA+U,Imma,A5BC2D_oI36_74_ej_c_h_a:F-Fe-O-Zn,18.0,A5BC2D_oI36_74_ej_c_h_a:F-Fe-O-Zn +mp-1173129,Ta3ZnFe3(O6F)2,-8.4738043733,-2.50112044,0.1598053707,0.1598053707,GGA+U,Pm,A2B3C12D3E_mP21_6_2a_a2b_6a6b_3a_b:F-Fe-O-Ta-Zn,21.0,A2B3C12D3E_mP21_6_2a_a2b_6a6b_3a_b:F-Fe-O-Ta-Zn +mp-1047074,CaSn3(P2O7)2,-7.2810035875,-2.5109505225,0.0704437619,0.0704437619,GGA,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-Sn,44.0,AB14C4D3_mP44_14_a_7e_2e_de:Ca-O-P-Sn +mp-1353875,CaSn3P3O13,-7.2158722285,-2.4868134179,0.0968935947,0.0968935947,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Ca-O-P-Sn,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Ca-O-P-Sn, expected CaSn5P3O34 to be CaSn3P3O13" +mp-773911,Ti2Sn(PO4)3,-8.1555413417,-2.8555009004,0.0059826498,0.0059826498,GGA,R-3c,A12B3CD2_hR108_167_2f_e_b_c:O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_167_13f_e_b_c:O-P-Sn-Ti, expected Ti2Sn(PO26)3 to be Ti2Sn(PO4)3" +mp-1330331,CaSnP2O7,-7.4375472673,-2.7585838375,0.0338790669,0.0338790669,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Sn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Sn +mp-1041696,CaSnP2O7,-7.4645447245,-2.7855812948,0.0068816097,0.0068816097,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Ca-O-P-Sn, expected CaSn(PO4)2 to be CaSnP2O7" +mp-1041251,CaSnP2O7,-7.4201003027,-2.7411368730000003,0.0513260315,0.0513260315,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ca-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Ca-O-P-Sn, expected CaSnP7O23 to be CaSnP2O7" +mp-1049213,CaSn2P2O9,-7.2302122129,-2.5608159982,0.0928971323,0.0928971323,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Ca-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Ca-O-P-Sn, expected CaSn2P2O11 to be CaSn2P2O9" +mp-984716,CaSn4(PO4)6,-7.4310755343,-2.5955260654,0.0,-0.0136847277,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Ca-O-P-Sn,35.0,AB24C6D4_hR105_148_a_4f_f_2c:Ca-O-P-Sn +mp-1044660,CaSn2(PO4)2,-7.229004414,-2.5809383915,0.0596503315,0.0596503315,GGA,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Ca-O-P-Sn,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Ca-O-P-Sn, expected Ca2Sn7(PO5)12 to be CaSn2(PO4)2" +mp-1045579,CaSn(PO3)4,-7.5199925086,-2.6850677144,0.0234426835,0.0234426835,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-Sn,36.0,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-Sn +mp-1043709,CaTiSn(PO4)3,-7.8371132106,-2.8642889991,0.0534592428,0.0534592428,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ca-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ca-O-P-Sn-Ti, expected CaTiSn(PO18)3 to be CaTiSn(PO4)3" +mp-1043566,CaSn2(PO5)2,-7.285110184,-2.5972278029,0.0629663182,0.0629663182,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Ca-O-P-Sn,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Ca-O-P-Sn, expected CaSn2(PO14)2 to be CaSn2(PO5)2" +mp-760599,TiSn(PO4)2,-7.895166495,-2.7030682804,0.0652828713,0.0652828713,GGA,P2_1/m,A8B2CD_mP24_11_4e2f_2e_e_e:O-P-Sn-Ti,24.0,"Invalid WP multiplicities - A8B2CD_mP24_11_7e4f_3e_e_e:O-P-Sn-Ti, expected TiSn(PO5)3 to be TiSn(PO4)2" +mp-1036805,BaMg30VO32,-6.3291106128,-2.9337149680000003,0.0897642688,0.0897642688,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-V, expected BaMg90VO80 to be BaMg30VO32" +mp-1036802,BaMg30VO32,-6.3334824311,-2.9380867862,0.0853924505,0.0853924505,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-V, expected BaMg110VO72 to be BaMg30VO32" +mp-2226159,BaMgVO3,-7.043601025,-2.469729826,0.2583258052,0.2583258052,GGA+U,Cm,ABC3D_mC12_8_a_a_ab_a:Ba-Mg-O-V,6.0,ABC3D_mC12_8_a_a_ab_a:Ba-Mg-O-V +mp-2240949,BaMgVO3,-6.7929992183,-2.2191280194,0.5089276119,0.5089276119,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Ba-Mg-O-V,6.0,ABC3D_hR18_160_a_a_b_a:Ba-Mg-O-V +mp-2217936,Ba2MgVMoO6,-7.4033920409,-2.3990358248,0.3634093142,0.3634093142,GGA+U,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Mo-O-V,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Mo-O-V, expected Ba2MgVMoO12 to be Ba2MgVMoO6" +mp-2217707,Ba2MgVMoO6,-7.3322220973,-2.3278658811,0.4345792579,0.4345792579,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Mo-O-V,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_6b_a:Ba-Mg-Mo-O-V, expected Ba2MgVMoO18 to be Ba2MgVMoO6" +mp-2217741,Ba2MgVMoO6,-7.4099167327,-2.4055605166,0.3568846224,0.3568846224,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Mo-O-V,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_6b_a:Ba-Mg-Mo-O-V, expected Ba2MgVMoO18 to be Ba2MgVMoO6" +mp-646182,Mg5V2(MoO8)2,-7.6699988701,-2.5896975905,0.0036853825,0.0036853825,GGA+U,P2_1/m,A5B2C16D2_mP150_11_7e4f_2e2f_8e20f_2e2f:Mg-Mo-O-V,150.0,"Invalid WP multiplicities - A5B2C16D2_mP150_11_14e13f_4e6f_16e77f_3e5f:Mg-Mo-O-V, expected Mg40V13(Mo8O85)2 to be Mg5V2(MoO8)2" +mp-19084,BaMg2V2O8,-7.7027175373,-2.8672670088,0.0,-0.0151712312,GGA+U,I4_1/acd,AB2C8D2_tI104_142_a_f_2g_e:Ba-Mg-O-V,52.0,AB2C8D2_tI104_142_a_f_2g_e:Ba-Mg-O-V +mp-2218208,MgV2MoO8,-8.0671659517,-2.2182282858,0.2283757919,0.2283757919,GGA+U,P2,ABC8D2_mP12_3_b_a_ac3e_e:Mg-Mo-O-V,12.0,"Invalid WP multiplicities - ABC8D2_mP12_3_c_a_ab6e_e:Mg-Mo-O-V, expected MgV2MoO14 to be MgV2MoO8" +mp-1044203,BaMgV4O8,-8.2036916007,-2.5302352464,0.1680514803,0.1680514803,GGA+U,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-V,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Mg-O-V +mp-1079477,Ba2VMoO6,-8.0211126045,-2.6763487717,0.0830717062,0.0830717062,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-V,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mo-O-V +mp-2227999,Ba3MgV2O8,-7.4474106336,-2.7975158693,0.1448077779,0.1448077779,GGA+U,C2,A3BC8D2_mC28_5_ac_a_4c_c:Ba-Mg-O-V,14.0,"Invalid WP multiplicities - A3BC8D2_mC28_5_ac_a_7c_c:Ba-Mg-O-V, expected Ba3MgV2O14 to be Ba3MgV2O8" +mp-2226513,Ba3MgV2O8,-7.2940449257,-2.6441501614,0.2981734857,0.2981734857,GGA+U,Cm,A3BC8D2_mC28_8_3a_a_4a2b_2a:Ba-Mg-O-V,14.0,"Invalid WP multiplicities - A3BC8D2_mC28_8_3a_a_4a3b_2a:Ba-Mg-O-V, expected Ba3MgV2O10 to be Ba3MgV2O8" +mp-2227087,Ba3MgV2O8,-7.4052534,-2.7553586357,0.1869650115,0.1869650115,GGA+U,R-3m,A3BC8D2_hR42_166_ac_b_ch_c:Ba-Mg-O-V,14.0,A3BC8D2_hR42_166_ac_b_ch_c:Ba-Mg-O-V +mp-1034534,BaMg14VO16,-6.2768662141,-2.759559305,0.2333588691,0.2333588691,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-V, expected BaMg18VO20 to be BaMg14VO16" +mp-1034473,BaMg14VO16,-6.3130463341,-2.795739425,0.1971787491,0.1971787491,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-V, expected BaMg30VO32 to be BaMg14VO16" +mp-1195880,Ba3MgV4O14,-7.9898112661,-2.8558807612,0.0069917529,0.0069917529,GGA+U,P2_1/c,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Mg-O-V,88.0,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Mg-O-V +mp-2226685,MgV2(MoO5)2,-8.21950807,-2.1577561018,0.2040078372,0.2040078372,GGA+U,C2/m,AB2C10D2_mC30_12_a_h_i2j_i:Mg-Mo-O-V,15.0,"Invalid WP multiplicities - AB2C10D2_mC30_12_a_h_i8j_i:Mg-Mo-O-V, expected MgV2(MoO17)2 to be MgV2(MoO5)2" +mp-2226848,MgV2(MoO5)2,-8.2193007247,-2.1575487565,0.2042151825,0.2042151825,GGA+U,P-4m2,AB2C10D2_tP15_115_c_ab_gjk_g:Mg-Mo-O-V,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_115_c_ab_g3j3k_g:Mg-Mo-O-V, expected MgV2(MoO13)2 to be MgV2(MoO5)2" +mp-1031593,BaMg6VO8,-6.3098411594,-2.5487117219,0.383084327,0.383084327,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-V, expected BaMg6VO12 to be BaMg6VO8" +mp-1031724,BaMg6VO8,-6.273033715,-2.5119042775,0.4198917713,0.4198917713,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-V, expected BaMg6VO12 to be BaMg6VO8" +mp-2225883,MgVMoO5,-8.0687738525,-2.2858638792,0.2073669794,0.2073669794,GGA+U,P1,ABC5D_aP8_1_a_a_5a_a:Mg-Mo-O-V,8.0,ABC5D_aP8_1_a_a_5a_a:Mg-Mo-O-V +mp-2225400,MgVMoO5,-8.1392133887,-2.3563034155,0.1369274431,0.1369274431,GGA+U,Cm,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V,8.0,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V +mp-2225606,MgVMoO5,-8.0960708775,-2.3131609042,0.1800699544,0.1800699544,GGA+U,Cm,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V,8.0,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V +mp-2225353,MgVMoO5,-8.117443425,-2.3345334517,0.1586974069,0.1586974069,GGA+U,Cm,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V,8.0,ABC5D_mC16_8_a_a_5a_a:Mg-Mo-O-V +mp-1233343,MgV5(MoO5)5,-8.4092811433,-2.1616345119,0.0879156065,0.0879156065,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-1233747,MgV5(MoO5)5,-8.3997607553,-2.1521141239,0.0974359946,0.0974359946,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-1234315,MgV5(MoO5)5,-8.4073190867,-2.1596724552,0.0898776632,0.0898776632,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-1234408,MgV5(MoO5)5,-8.3522147133,-2.1045680819,0.1449820365,0.1449820365,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-1234691,MgV5(MoO5)5,-8.4046350264,-2.156988395,0.0925617235,0.0925617235,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-1234912,MgV5(MoO5)5,-8.4127742,-2.1651275686,0.0844225499,0.0844225499,GGA+U,P1,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V,36.0,AB5C25D5_aP36_1_a_5a_25a_5a:Mg-Mo-O-V +mp-775961,Li4MnSn(WO6)2,-7.4922275685,-2.1880373881,0.0527666176,0.0527666176,GGA+U,P1,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-Sn-W,40.0,"Invalid WP multiplicities - A4BC12DE2_aP20_1_4a_a_12a_a_3a:Li-Mn-O-Sn-W, expected Li4MnSn(WO4)3 to be Li4MnSn(WO6)2" +mp-6428,Ba2YRuO6,-7.76203541,-2.8361398299,0.0,-0.060948465,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Ru-Y +mp-18701,Ba3YRu2O9,-7.6447861277,-2.6252928334,0.0,-0.0048721512,GGA,P6_3/mmc,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Y,30.0,A3B9C2D_hP30_194_bf_hk_f_a:Ba-O-Ru-Y +mp-15888,Ba2YIrO6,-7.648918889,-2.7666201449,0.0,-0.0655605141,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ir-O-Y +mp-540739,Ba3YIr2O9,-7.4173742433,-2.4560100637,0.074922415,0.0630296312,GGA,P6_3mc,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Ir-O-Y,30.0,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Ir-O-Y +mp-540691,Ba3YIr2O9,-6.387173253,-1.4258090734,1.1051234053,1.0932306215,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Y,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Y +mp-1205382,Ba3YIr2O9,-7.4922966583,-2.5309324787,0.0,-0.0118927838,GGA,P6_3/mmc,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Y,30.0,A3B2C9D_hP30_194_bf_f_hk_a:Ba-Ir-O-Y +mp-1228020,Ba3YIrRuO9,-7.5704031777,-2.5799744407,0.0,-0.0018617847,GGA,P6_3mc,A3BC9DE_hP30_186_a2b_b_3c_b_a:Ba-Ir-O-Ru-Y,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_b_5c_b_a:Ba-Ir-O-Ru-Y, expected Ba5YIrRuO15 to be Ba3YIrRuO9" +mp-1095808,Y2IrRu,-5.408963575,2.3524811617,2.9626147073,2.9626147073,GGA,Immm,ABC2_oI8_71_a_b_e:Ir-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Ir-Ru-Y +mp-1187703,Y2IrRu,-8.3379180425,-0.5764733058,0.0336602398,0.0336602398,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ir-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Ir-Ru-Y +mp-1209203,RbCdN3,-3.724787012,1.6577947095,1.987627849,1.987627849,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-N-Rb,5.0,AB3C_cP5_221_b_c_a:Cd-N-Rb +mp-1207136,RbAgC2,-5.2030733,0.3645319652,0.3874402254,0.3874402254,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Ag-C-Rb,4.0,AB2C_tP4_123_a_g_d:Ag-C-Rb +mp-568978,RbCdAg3(CN)6,-6.6929162359,0.1183810787,0.272190735,0.272190735,GGA,P312,A3B6CD6E_hP17_149_k_l_a_l_c:Ag-C-Cd-N-Rb,17.0,A3B6CD6E_hP17_149_k_l_a_l_c:Ag-C-Cd-N-Rb +mp-23082,KCrClO3,-6.3728296046,-1.7974880695,0.0672051212,0.0672051212,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:Cl-Cr-K-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_4e:Cl-Cr-K-O, expected KCrClO4 to be KCrClO3" +mp-1223595,KCr12Si8ClO28,-8.6397305274,-2.6256238594,0.0,-0.0196986288,GGA+U,I4mm,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Cl-Cr-K-O-Si,50.0,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Cl-Cr-K-O-Si +mp-1522221,KSrTbSbO6,-6.7857844478,-2.661445247,0.0137514541,0.0137514541,GGA,P4_2/nnm,AB6CDE_tP40_134_ab_mn_e_c_f:K-O-Sb-Sr-Tb,40.0,"Invalid WP multiplicities - AB6CDE_tP40_134_2a2b_2m2n_e_c_f:K-O-Sb-Sr-Tb, expected K2SrTbSbO12 to be KSrTbSbO6" +mp-1522340,KSrTbSbO6,-6.774775637,-2.6504364362,0.0247602648,0.0247602648,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sr-Tb,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sr-Tb +mp-1523209,KCaZrBiO6,-7.032031039,-2.5135989536,0.115596091,0.115596091,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Zr +mp-1190412,RbLi(C2N3)2,-7.7643016346,-0.279044263,0.0838609814,0.0838609814,GGA,I4/mcm,A4BC6D_tI48_140_l_b_hl_a:C-Li-N-Rb,24.0,A4BC6D_tI48_140_l_b_hl_a:C-Li-N-Rb +mp-1029420,RbCoN,-5.587568105,-0.1124525075,0.0707881256,0.0707881256,GGA,Pnma,ABC_oP12_62_c_c_c:Co-N-Rb,12.0,ABC_oP12_62_c_c_c:Co-N-Rb +mp-15182,Rb2LiCo(CN)6,-7.562562361899999,-0.2894829049,0.0990929367,0.0990929367,GGA,P2_1/c,A6BCD6E2_mP32_14_3e_a_d_3e_e:C-Co-Li-N-Rb,32.0,"Invalid WP multiplicities - A6BCD6E2_mP32_14_4e_a_b_4e_e:C-Co-Li-N-Rb, expected Rb2LiCo(CN)8 to be Rb2LiCo(CN)6" +mp-771168,Na2SiBiCO7,-6.8401958317,-2.1930004802,0.0346261226,0.0346261226,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Bi-C-Na-O-Si,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Bi-C-Na-O-Si, expected Na2SiBiCO13 to be Na2SiBiCO7" +mp-768663,Na3SiBiCO7,-6.6838901992,-2.2924386983,0.0,-0.0013214862,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Bi-C-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Bi-C-Na-O-Si, expected Na4SiBiCO13 to be Na3SiBiCO7" +mp-1520642,KEuZrSnO6,-8.119941784,-2.759461234,0.1352843264,0.1352843264,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sn-Zr +mp-981376,ScSnO3,-7.307863332,-2.2714419132,0.6724758995,0.6724758995,GGA,Pm-3m,A3BC_cP5_221_c_b_a:O-Sc-Sn,5.0,A3BC_cP5_221_c_b_a:O-Sc-Sn +mp-1212024,K2ScSn(AsO4)3,-6.7451992051000005,-2.2241224365,0.0,-0.0089884897,GGA,P2_13,A3B2C12DE_cP76_198_b_2a_4b_a_a:As-K-O-Sc-Sn,76.0,A3B2C12DE_cP76_198_b_2a_4b_a_a:As-K-O-Sc-Sn +mp-15107,KSnAsO5,-6.3449583477,-2.0308917523,0.0,-0.0257620425,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:As-K-O-Sn,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_4a_4a_13a_3a:As-K-O-Sn, expected K4Sn3As4O13 to be KSnAsO5" +mp-581370,YCu3Se2ClO8,-6.0842309517,-1.6057002564,0.0032552781,0.0032552781,GGA,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Cu-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Cu-O-Se-Y, expected YCu5Se2ClO22 to be YCu3Se2ClO8" +mp-1207277,YCu2SeO2,-5.4164304767,-0.7407349178,1.2055262303,1.2055262303,GGA,P4/mmm,A2B2CD_tP6_123_g_g_a_b:Cu-O-Se-Y,6.0,A2B2CD_tP6_123_g_g_a_b:Cu-O-Se-Y +mp-1207732,Y2CuSe2O,-5.6509853,-0.8225418728,1.5269700383,1.5269700383,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-O-Se-Y,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-O-Se-Y +mp-1189828,YCu6ClO8,-6.0004759006,-1.4702410579,0.0,-0.0543915908,GGA,Fm-3m,AB6C8D_cF64_225_a_d_f_b:Cl-Cu-O-Y,16.0,AB6C8D_cF64_225_a_d_f_b:Cl-Cu-O-Y +mp-1518812,NaSrNdWO6,-7.9017772073,-2.8599343396,0.0465931867,0.0465931867,GGA+U,Pnnn,ABC6DE_oP40_48_ab_e_3m_cd_f:Na-Nd-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_e_6m_2c2d_f:Na-Nd-O-Sr-W, expected NaSr2NdWO12 to be NaSrNdWO6" +mp-1518824,NaSrNdWO6,-7.847702401,-2.8058595333,0.100667993,0.100667993,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nd-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nd-O-Sr-W +mp-1516752,NaSrNdWO6,-7.750751775,-2.7089089073,0.197618619,0.197618619,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Na-Nd-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Na-Nd-O-Sr-W +mp-510328,NaCu5C6,-5.8729879804,0.5595579861000001,0.5595579861000001,0.5595579861000001,GGA,Pnma,A6B5C_oP48_62_3d_c2d_c:C-Cu-Na,48.0,A6B5C_oP48_62_3d_c2d_c:C-Cu-Na +mp-771162,Na3CuSiCO7,-6.48572631,-2.0743734599,0.0552598664,0.0552598664,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cu-Na-O-Si, expected Na4CuSiCO13 to be Na3CuSiCO7" +mp-1147763,Na2CuC3,-5.1362779433,0.6020976791,0.6020976791,0.6020976791,GGA,P4/mbm,A3BC2_tP12_127_ch_b_g:C-Cu-Na,12.0,A3BC2_tP12_127_ch_b_g:C-Cu-Na +mp-1220737,Na5CuCO5,-5.4214104092,-1.6985818937,0.0202334552,0.0202334552,GGA,Pmm2,ABC5D5_oP12_25_a_d_bef_aef:C-Cu-Na-O,12.0,"Invalid WP multiplicities - ABC5D5_oP12_25_a_d_b2e2f_aef:C-Cu-Na-O, expected Na9CuCO5 to be Na5CuCO5" +mp-573024,Na2Cu5(Si2O7)2,-6.7186035628,-2.1547636422,0.0525619957,0.0525619957,GGA,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Cu-Na-O-Si,25.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_a3i_i_12i_3i:Cu-Na-O-Si, expected Na2Cu7(SiO4)6 to be Na2Cu5(Si2O7)2" +mp-1382564,Na2Cu5(Si2O7)2,-3.6452558248,0.9185840958,3.1259097337,3.1259097337,GGA,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Cu-Na-O-Si,25.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_a3i_i_12i_3i:Cu-Na-O-Si, expected Na2Cu7(SiO4)6 to be Na2Cu5(Si2O7)2" +mp-6090,Na2Cu(CO3)2,-6.813644415,-1.824397096,0.0,-0.0373054488,GGA,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:C-Cu-Na-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_14_e_a_e_4e:C-Cu-Na-O, expected Na2Cu(CO4)2 to be Na2Cu(CO3)2" +mp-649944,Na2Cu3(SiO3)4,-6.9939221946,-2.4222932779,0.0257741788,0.0257741788,GGA,Pnma,A3B2C12D4_oP84_62_a2c_2c_6d_2d:Cu-Na-O-Si,84.0,"Invalid WP multiplicities - A3B2C12D4_oP84_62_3a6c_6c_46d_9d:Cu-Na-O-Si, expected Na6Cu9(Si9O46)2 to be Na2Cu3(SiO3)4" +mp-689393,Na2Cu(Si2O5)2,-5.4096479329000005,-0.82656461,1.9755349331,1.9755349331,GGA,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Cu-Na-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_2i_14i_5i:Cu-Na-O-Si, expected Na2CuSi5O14 to be Na2Cu(Si2O5)2" +mp-18033,Na2Cu(Si2O5)2,-7.3668490394,-2.7837657165,0.0183338266,0.0183338266,GGA,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Cu-Na-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_2i_14i_5i:Cu-Na-O-Si, expected Na2CuSi5O14 to be Na2Cu(Si2O5)2" +mp-557123,Na2CuSi3O8,-7.1680128621,-2.6970327881,0.0052240666,0.0052240666,GGA,P2_1/c,AB2C8D3_mP56_14_e_2e_8e_3e:Cu-Na-O-Si,56.0,"Invalid WP multiplicities - AB2C8D3_mP56_14_e_4e_28e_9e:Cu-Na-O-Si, expected Na4CuSi9O28 to be Na2CuSi3O8" +mp-559415,Na2Cu2Si4O11,-7.1434051837,-2.5666519273,0.0397983049,0.0397983049,GGA,P-1,A2B2C11D4_aP19_2_i_i_a5i_2i:Cu-Na-O-Si,19.0,"Invalid WP multiplicities - A2B2C11D4_aP19_2_i_i_a7i_4i:Cu-Na-O-Si, expected Na2Cu2Si8O15 to be Na2Cu2Si4O11" +mp-759108,Li2Fe(PO4)2,-7.184717281,-2.3625648466,0.0948385775,0.0948385775,GGA+U,P1,AB2C8D2_aP52_1_4a_8a_32a_8a:Fe-Li-O-P,52.0,AB2C8D2_aP52_1_4a_8a_32a_8a:Fe-Li-O-P +mp-758232,Li2Fe(PO4)2,-7.1963852996,-2.3742328653,0.0831705588,0.0831705588,GGA+U,P-1,AB2C8D2_aP26_2_i_bei_8i_2i:Fe-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_aP26_2_i_be2i_15i_3i:Fe-Li-O-P, expected Li3Fe(PO5)3 to be Li2Fe(PO4)2" +mp-697816,Li2Fe(PO4)2,-7.1955279317,-2.3733754974,0.0840279267,0.0840279267,GGA+U,P2_1,AB2C8D2_mP52_4_2a_4a_16a_4a:Fe-Li-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_4_2a_7a_32a_7a:Fe-Li-O-P, expected Li7Fe2P7O32 to be Li2Fe(PO4)2" +mp-689973,Li2Fe(PO4)2,-7.2028462235,-2.3806937891,0.076709635,0.076709635,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_4_a_4a_14a_3a:Fe-Li-O-P, expected Li4FeP3O14 to be Li2Fe(PO4)2" +mp-26576,Li2Fe(PO4)2,-7.1980864592,-2.3759340249,0.0814693992,0.0814693992,GGA+U,Cm,AB2C8D2_mC26_8_a_2a_4a2b_2a:Fe-Li-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_8_a_2a_4a3b_2a:Fe-Li-O-P, expected Li2Fe(PO5)2 to be Li2Fe(PO4)2" +mp-762856,Li2Fe(PO4)2,-7.1945784531,-2.3724260187,0.0849774053,0.0849774053,GGA+U,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_2a_14a_2a:Fe-Li-O-P, expected Li2Fe(PO7)2 to be Li2Fe(PO4)2" +mp-757187,Li2Fe(PO4)2,-7.2276028777,-2.4054504433,0.0519529807,0.0519529807,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Fe-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_14_a_e_13e_e:Fe-Li-O-P, expected Li2Fe(PO13)2 to be Li2Fe(PO4)2" +mp-31815,Li2Fe(PO4)2,-7.1731042419,-2.3509518076,0.1064516165,0.1064516165,GGA+U,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Fe-Li-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_27e_7e:Fe-Li-O-P, expected Li6FeP7O27 to be Li2Fe(PO4)2" +mp-757351,Li2Fe(PO4)2,-7.2296732226,-2.4075207882000003,0.0498826358,0.0498826358,GGA+U,Pbca,AB2C8D2_oP104_61_c_2c_8c_2c:Fe-Li-O-P,104.0,"Invalid WP multiplicities - AB2C8D2_oP104_61_c_5c_29c_5c:Fe-Li-O-P, expected Li5FeP5O29 to be Li2Fe(PO4)2" +mp-757095,Li2Fe(PO4)2,-7.2140050915,-2.3918526572,0.0655507669,0.0655507669,GGA+U,P-3,AB2C8D2_hP13_147_a_d_dg_d:Fe-Li-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_hP13_147_a_d_2d3g_d:Fe-Li-O-P, expected Li2Fe(PO11)2 to be Li2Fe(PO4)2" +mp-26221,Li6Fe3P8O29,-7.3076299957,-2.4462388324,0.0483035401,0.0483035401,GGA+U,P1,A3B6C29D8_aP92_1_6a_12a_58a_16a:Fe-Li-O-P,92.0,A3B6C29D8_aP92_1_6a_12a_58a_16a:Fe-Li-O-P +mp-1177017,Li6Fe3P8O29,-7.3069580297,-2.4455668664,0.0489755061,0.0489755061,GGA+U,Cc,A3B6C29D8_mC184_9_3a_6a_29a_8a:Fe-Li-O-P,92.0,"Invalid WP multiplicities - A3B6C29D8_mC184_9_5a_11a_56a_14a:Fe-Li-O-P, expected Li11Fe5(PO4)14 to be Li6Fe3P8O29" +mp-759091,Li2FeP4O13,-7.3571124365,-2.4447109257,0.0741445612,0.0741445612,GGA+U,P-1,AB2C13D4_aP40_2_i_2i_13i_4i:Fe-Li-O-P,40.0,"Invalid WP multiplicities - AB2C13D4_aP40_2_i_3i_25i_7i:Fe-Li-O-P, expected Li3FeP7O25 to be Li2FeP4O13" +mp-849564,Li5Fe4(P2O7)4,-7.4843973112,-2.4790994636,0.0609357251,0.0609357251,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-849492,Li5Fe4(P2O7)4,-7.496665868,-2.4913680204,0.0486671684,0.0486671684,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-849560,Li5Fe4(P2O7)4,-7.4889319873,-2.4836341397,0.056401049,0.056401049,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-1177154,Li5Fe4(P2O7)4,-7.4930197682,-2.4877219206,0.0523132681,0.0523132681,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-1177159,Li5Fe4(P2O7)4,-7.4806931531,-2.4753953055,0.0646398833,0.0646398833,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-1177390,Li5Fe4(P2O7)4,-7.1710451357,-2.1657472881,0.3742879007,0.3742879007,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-849563,Li5Fe4(P2O7)4,-7.4820201627,-2.4767223151,0.0633128737,0.0633128737,GGA+U,P1,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P,90.0,A4B5C28D8_aP90_1_8a_10a_56a_16a:Fe-Li-O-P +mp-27007,LiFe2P3O10,-7.7653452984,-2.4806103035,0.0,-0.0036718096,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Fe-Li-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_7e10f_5e:Fe-Li-O-P, expected LiFe2P5O27 to be LiFe2P3O10" +mp-705376,LiFe5(P2O7)4,-7.7776658786,-2.3949817623,0.0353894639,0.0353894639,GGA+U,P-1,A5BC28D8_aP84_2_5i_ab_28i_8i:Fe-Li-O-P,84.0,"Invalid WP multiplicities - A5BC28D8_aP84_2_9i_ab_55i_15i:Fe-Li-O-P, expected LiFe9(P3O11)5 to be LiFe5(P2O7)4" +mp-759617,Li5Fe4(PO4)4,-7.3509100964,-2.3776366971,0.0982046086,0.0982046086,GGA+U,Cc,A4B5C16D4_mC116_9_4a_5a_16a_4a:Fe-Li-O-P,58.0,A4B5C16D4_mC116_9_8a_10a_32a_8a:Fe-Li-O-P +mp-759000,LiFe4(PO4)3,-7.8630370475,-2.2935780594,0.067813285,0.067813285,GGA+U,P1,A4BC12D3_aP40_1_8a_2a_24a_6a:Fe-Li-O-P,40.0,A4BC12D3_aP40_1_8a_2a_24a_6a:Fe-Li-O-P +mp-758778,LiFe4(PO4)3,-7.8763261448,-2.3068671567,0.0545241877,0.0545241877,GGA+U,P-1,A4BC12D3_aP40_2_4i_i_12i_3i:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_aP40_2_7i_i_23i_5i:Fe-Li-O-P, expected LiFe7P5O23 to be LiFe4(PO4)3" +mp-759439,LiFe4(PO4)3,-7.8794974136,-2.3100384255,0.0513529189,0.0513529189,GGA+U,Pm,A4BC12D3_mP80_6_3ab6c_3ab_12a12b12c_6a6b:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_mP80_6_3ab11c_3ab_12a12b20c_6a6b:Fe-Li-O-P, expected Li2Fe13(P3O16)2 to be LiFe4(PO4)3" +mp-758611,LiFe4(PO4)3,-7.8516069883,-2.2821480002,0.0792433442,0.0792433442,GGA+U,Cc,A4BC12D3_mC80_9_4a_a_12a_3a:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_9_6a_a_24a_3a:Fe-Li-O-P, expected LiFe6(PO8)3 to be LiFe4(PO4)3" +mp-758992,LiFe4(PO4)3,-7.8307596565,-2.2613006684,0.100090676,0.100090676,GGA+U,Cc,A4BC12D3_mC80_9_4a_a_12a_3a:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_9_7a_a_24a_6a:Fe-Li-O-P, expected LiFe7(PO4)6 to be LiFe4(PO4)3" +mp-25825,LiFe4(PO4)3,-7.8809754113,-2.3115164232,0.0498749212,0.0498749212,GGA+U,C2/c,A4BC12D3_mC80_15_2ef_e_6f_ef:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_15_4e3f_e_23f_2e2f:Fe-Li-O-P, expected LiFe10(P3O23)2 to be LiFe4(PO4)3" +mp-758889,LiFe4(PO4)3,-7.8747601968,-2.3053012087,0.0560901357,0.0560901357,GGA+U,Pccn,A4BC12D3_oP80_56_2e_c_6e_de:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_56_5e_c_21e_2d3e:Fe-Li-O-P, expected LiFe10(P4O21)2 to be LiFe4(PO4)3" +mp-1176752,LiFe4(PO4)3,-7.3637509946,-1.7942920065,0.5670993379,0.5670993379,GGA+U,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_58_5g2h_g_21g10h_9g:Fe-Li-O-P, expected LiFe9P9O41 to be LiFe4(PO4)3" +mp-704186,LiFe4(PO4)3,-7.3884044988,-1.8189455107,0.5424458337,0.5424458337,GGA+U,Pnma,A4BC12D3_oP80_62_2d_c_2c5d_cd:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_10d_c_6c32d_2c2d:Fe-Li-O-P, expected LiFe20(P3O35)2 to be LiFe4(PO4)3" +mp-759313,LiFe4(PO4)3,-7.8777098897,-2.3082509017,0.0531404427,0.0531404427,GGA+U,Pnma,A4BC12D3_oP80_62_2cd_c_6c3d_3c:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_7c2d_c_21c12d_9c:Fe-Li-O-P, expected LiFe11(PO5)9 to be LiFe4(PO4)3" +mp-758740,LiFe4(PO4)3,-7.8783905158,-2.3089315277,0.0524598167,0.0524598167,GGA+U,I-42d,A4BC12D3_tI80_122_cd_a_3e_bd:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_tI80_122_2c3d_a_13e_2b2d:Fe-Li-O-P, expected LiFe10(P3O26)2 to be LiFe4(PO4)3" +mp-774835,Li8Fe7(PO4)8,-7.4837334324,-2.4626063375,0.0281457961,0.0281457961,GGA+U,Cm,A7B8C32D8_mC110_8_3a2b_4b_8a12b_4a2b:Fe-Li-O-P,55.0,"Invalid WP multiplicities - A7B8C32D8_mC110_8_3a2b_4b_8a17b_4a2b:Fe-Li-O-P, expected Li8Fe7(P4O21)2 to be Li8Fe7(PO4)8" +mp-849393,Li8Fe7(PO4)8,-7.2911977275,-2.2700706327,0.2206815009,0.2206815009,GGA+U,Pmn2_1,A7B8C32D8_oP110_31_3a2b_4b_8a12b_4a2b:Fe-Li-O-P,110.0,"Invalid WP multiplicities - A7B8C32D8_oP110_31_6a5b_15b_16a44b_8a7b:Fe-Li-O-P, expected Li15Fe8P11O52 to be Li8Fe7(PO4)8" +mp-554093,Li9Fe3P8O29,-7.2792183123,-2.5985905142,0.0025511818,0.0025511818,GGA+U,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Fe-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_b3d5g_4d6f42g_4d5g:Fe-Li-O-P, expected Li37Fe3(P19O139)2 to be Li9Fe3P8O29" +mp-26049,Li3Fe(PO3)8,-7.3365714528,-2.4414675935,0.0595323864,0.0595323864,GGA+U,C2,AB3C24D8_mC72_5_a_bc_12c_4c:Fe-Li-O-P,36.0,"Invalid WP multiplicities - AB3C24D8_mC72_5_a_bc_24c_8c:Fe-Li-O-P, expected Li3Fe(PO3)16 to be Li3Fe(PO3)8" +mp-766373,Li3Fe4(PO4)6,-7.4635276527,-2.3065763676,0.0661868893,0.0661868893,GGA+U,P1,A4B3C24D6_aP37_1_4a_3a_24a_6a:Fe-Li-O-P,37.0,A4B3C24D6_aP37_1_4a_3a_24a_6a:Fe-Li-O-P +mp-766709,Li3Fe4(PO4)6,-7.4582587322,-2.301307447,0.0714558098,0.0714558098,GGA+U,P1,A4B3C24D6_aP74_1_8a_6a_48a_12a:Fe-Li-O-P,74.0,A4B3C24D6_aP74_1_8a_6a_48a_12a:Fe-Li-O-P +mp-766384,Li3Fe4(PO4)6,-7.4511771327,-2.2942258476,0.0785374093,0.0785374093,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Li-O-P,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_3i_a2i_23i_5i:Fe-Li-O-P, expected Li5Fe6(P5O23)2 to be Li3Fe4(PO4)6" +mp-758398,LiFe3P3O11,-7.3667100804,-1.9237950893,0.4916666004,0.4916666004,GGA+U,P2_1/c,A3BC11D3_mP72_14_3e_e_11e_3e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - A3BC11D3_mP72_14_9e_e_43e_11e:Fe-Li-O-P, expected LiFe9P11O43 to be LiFe3P3O11" +mp-705089,LiFe3P3O11,-7.8159089314,-2.3729939403,0.0424677494,0.0424677494,GGA+U,P2_1/c,A3BC11D3_mP72_14_3e_e_11e_3e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - A3BC11D3_mP72_14_11e_e_40e_10e:Fe-Li-O-P, expected LiFe11(PO4)10 to be LiFe3P3O11" +mp-540431,Li2Fe5(PO4)4,-7.7973127085,-2.3540467385,0.038336935,0.038336935,GGA+U,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Fe-Li-O-P,27.0,A5B2C16D4_aP27_2_a2i_i_8i_2i:Fe-Li-O-P +mp-859543,Li2Fe5(PO4)4,-5.6599690993,-0.2167031293,2.1756805443,2.1756805443,GGA+U,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Fe-Li-O-P,27.0,"Invalid WP multiplicities - A5B2C16D4_aP27_2_a4i_i_15i_3i:Fe-Li-O-P, expected Li2Fe9(PO5)6 to be Li2Fe5(PO4)4" +mp-27081,Li7Fe4P9O32,-7.4091217449,-2.5195773944,0.042335581,0.042335581,GGA+U,P-42_1c,A4B7C32D9_tP104_114_e_ade_8e_b2e:Fe-Li-O-P,104.0,"Invalid WP multiplicities - A4B7C32D9_tP104_114_e_2a2d2e_53e_2b14e:Fe-Li-O-P, expected Li7Fe2P29O106 to be Li7Fe4P9O32" +mp-766485,LiFe2(PO4)2,-7.6509049549,-2.3240526479,0.0896798709,0.0896798709,GGA+U,P1,A2BC8D2_aP39_1_6a_3a_24a_6a:Fe-Li-O-P,39.0,A2BC8D2_aP39_1_6a_3a_24a_6a:Fe-Li-O-P +mp-753789,LiFe2(PO4)2,-7.6559831738,-2.3291308669,0.0846016519,0.0846016519,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Li-O-P,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Fe-Li-O-P +mp-766800,LiFe2(PO4)2,-7.6847099195,-2.3578576126,0.0558749063,0.0558749063,GGA+U,P1,A2BC8D2_aP78_1_12a_6a_48a_12a:Fe-Li-O-P,78.0,A2BC8D2_aP78_1_12a_6a_48a_12a:Fe-Li-O-P +mp-753415,LiFe2(PO4)2,-7.6986459238,-2.3717936169,0.0419389019,0.0419389019,GGA+U,P2_1,A2BC8D2_mP26_4_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_4_2a_a_14a_2a:Fe-Li-O-P, expected LiFe2(PO7)2 to be LiFe2(PO4)2" +mp-754078,LiFe2(PO4)2,-7.6972428485,-2.3703905415,0.0433419773,0.0433419773,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_c:Fe-Li-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_c:Fe-Li-O-P, expected LiFe2(PO7)2 to be LiFe2(PO4)2" +mp-753523,LiFe2(PO4)2,-7.6732650796,-2.3464127727,0.0673197462,0.0673197462,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Fe-Li-O-P, expected LiFe4(PO4)4 to be LiFe2(PO4)2" +mp-753870,LiFe2(PO4)2,-7.6634862519,-2.336633945,0.0770985738,0.0770985738,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Fe-Li-O-P, expected LiFe4(PO4)4 to be LiFe2(PO4)2" +mp-753877,LiFe2(PO4)2,-7.693310215,-2.3664579081,0.0472746108,0.0472746108,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Fe-Li-O-P, expected LiFe4(PO4)4 to be LiFe2(PO4)2" +mp-753648,LiFe2(PO4)2,-7.6931798365,-2.3663275296,0.0474049892,0.0474049892,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Fe-Li-O-P, expected LiFe4(PO4)4 to be LiFe2(PO4)2" +mp-757359,LiFe2(PO4)2,-7.7087140431,-2.3818617362,0.0318707827,0.0318707827,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_4a_a_16a_4a:Fe-Li-O-P, expected LiFe4(PO4)4 to be LiFe2(PO4)2" +mp-753665,LiFe2(PO4)2,-7.6858706192,-2.3590183123,0.0547142065,0.0547142065,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_3a_a_15a_3a:Fe-Li-O-P, expected LiFe3(PO5)3 to be LiFe2(PO4)2" +mp-767222,LiFe2(PO4)2,-7.7164304469,-2.38957814,0.0241543788,0.0241543788,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Fe-Li-O-P,13.0,A2BC8D2_mC26_8_2a_a_4a2b_2a:Fe-Li-O-P +mp-766456,LiFe2(PO4)2,-7.7069086294,-2.3800563225,0.0336761963,0.0336761963,GGA+U,Pca2_1,A2BC8D2_oP52_29_2a_a_8a_2a:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_29_5a_a_29a_5a:Fe-Li-O-P, expected LiFe5P5O29 to be LiFe2(PO4)2" +mp-766464,LiFe2(PO4)2,-7.7018146429,-2.374962336,0.0387701829,0.0387701829,GGA+U,Pca2_1,A2BC8D2_oP52_29_2a_a_8a_2a:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_oP52_29_5a_a_29a_5a:Fe-Li-O-P, expected LiFe5P5O29 to be LiFe2(PO4)2" +mp-1176749,LiFe2(PO4)2,-7.7111359608,-2.3842836538,0.029448865,0.029448865,GGA+U,Pmn2_1,A2BC8D2_oP26_31_2a_a_4a2b_2a:Fe-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_oP26_31_2a_a_8a2b_2a:Fe-Li-O-P, expected LiFe2(PO6)2 to be LiFe2(PO4)2" +mp-754242,LiFe2(PO4)2,-7.6940242115,-2.3671719046,0.0465606142,0.0465606142,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Fe-Li-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_4cde_ab:Fe-Li-O-P, expected LiFe2(PO6)2 to be LiFe2(PO4)2" +mp-721255,Li10Si(PO6)2,-6.4219477012,-2.6338910514,0.0919159724,0.0919159724,GGA,P1,A10B12C2D_aP50_1_20a_24a_4a_2a:Li-O-P-Si,50.0,A10B12C2D_aP50_1_20a_24a_4a_2a:Li-O-P-Si +mp-696125,Li10Si(PO6)2,-6.405741493,-2.6176848432,0.1081221806,0.1081221806,GGA,P4_2mc,A10B12C2D_tP50_105_ab2f_3d3e_ac_b:Li-O-P-Si,50.0,A10B12C2D_tP50_105_ab2f_3d3e_ac_b:Li-O-P-Si +mp-758649,Li4Fe(PO3)6,-7.3253348397,-2.5796133045,0.0525461458,0.0525461458,GGA+U,P1,AB4C18D6_aP29_1_a_4a_18a_6a:Fe-Li-O-P,29.0,AB4C18D6_aP29_1_a_4a_18a_6a:Fe-Li-O-P +mp-757456,Li4Fe(PO3)6,-7.3095446666,-2.5638231314,0.0683363189,0.0683363189,GGA+U,C2/c,AB4C18D6_mC116_15_e_2f_9f_3f:Fe-Li-O-P,58.0,"Invalid WP multiplicities - AB4C18D6_mC116_15_e_3f_33f_5f:Fe-Li-O-P, expected Li6Fe(P5O33)2 to be Li4Fe(PO3)6" +mp-758108,LiFe2P3O11,-7.6790746565,-2.414224737,0.0451041874,0.0451041874,GGA+U,C2,A2BC11D3_mC68_5_2c_c_ab10c_ab2c:Fe-Li-O-P,34.0,"Invalid WP multiplicities - A2BC11D3_mC68_5_4c_c_ab20c_ab4c:Fe-Li-O-P, expected LiFe4P5O21 to be LiFe2P3O11" +mp-1177302,Li5Fe2(PO4)3,-7.1690858801,-2.5288663888,0.0514124406,0.0514124406,GGA+U,P2_1,A2B5C12D3_mP88_4_4a_10a_24a_6a:Fe-Li-O-P,88.0,"Invalid WP multiplicities - A2B5C12D3_mP88_4_4a_18a_46a_12a:Fe-Li-O-P, expected Li9Fe2P6O23 to be Li5Fe2(PO4)3" +mp-705381,LiFe3P4O15,-7.7394294054,-2.3841021362,0.042879697,0.042879697,GGA+U,Pc,A3BC15D4_mP92_7_6a_2a_30a_8a:Fe-Li-O-P,92.0,"Invalid WP multiplicities - A3BC15D4_mP92_7_10a_3a_60a_15a:Fe-Li-O-P, expected Li3Fe10(PO4)15 to be LiFe3P4O15" +mp-1177139,Li5Fe2P5O18,-7.3049274295,-2.5518752265,0.0356671797,0.0356671797,GGA+U,P-1,A2B5C18D5_aP60_2_2i_5i_18i_5i:Fe-Li-O-P,60.0,"Invalid WP multiplicities - A2B5C18D5_aP60_2_3i_9i_35i_9i:Fe-Li-O-P, expected Li9Fe3P9O35 to be Li5Fe2P5O18" +mp-9198,Fe(SiP)4,-6.0411381711,-0.2828600204,0.0,-0.0373099917,GGA,P1,AB4C4_aP9_1_a_4a_4a:Fe-P-Si,9.0,AB4C4_aP9_1_a_4a_4a:Fe-P-Si +mp-849506,Li3Fe2(P2O7)2,-7.4573186673,-2.5193333193000003,0.0332049834,0.0332049834,GGA+U,P1,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P,92.0,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P +mp-1177735,Li3Fe2(P2O7)2,-7.4447316565,-2.5067463085,0.0457919942,0.0457919942,GGA+U,P1,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P,92.0,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P +mp-1177912,Li3Fe2(P2O7)2,-7.4513991758,-2.5134138278,0.039124475,0.039124475,GGA+U,P1,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P,92.0,A2B3C14D4_aP92_1_8a_12a_56a_16a:Fe-Li-O-P +mp-758865,Li2Fe(PO3)4,-7.4762718842,-2.5656749629,0.0287132121,0.0287132121,GGA+U,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Fe-Li-O-P,38.0,AB2C12D4_aP19_2_a_i_6i_2i:Fe-Li-O-P +mp-758609,Li2Fe(PO3)4,-7.4582031737,-2.5476062524,0.0467819226,0.0467819226,GGA+U,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Fe-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_14_a_e_21e_3e:Fe-Li-O-P, expected Li2Fe(PO7)6 to be Li2Fe(PO3)4" +mp-759012,Li2Fe(PO3)4,-7.4203624341,-2.5097655128,0.0846226622,0.0846226622,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Fe-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_7e_43e_15e:Fe-Li-O-P, expected Li7FeP15O43 to be Li2Fe(PO3)4" +mp-31817,Li2Fe(PO3)4,-7.4796829495,-2.5690860282,0.0253021468,0.0253021468,GGA+U,C2/c,AB2C12D4_mC76_15_e_f_2e5f_2f:Fe-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_15_e_f_4e18f_6f:Fe-Li-O-P, expected Li2Fe(P3O10)4 to be Li2Fe(PO3)4" +mp-26125,Li2Fe(PO3)4,-7.4956505279,-2.5850536066,0.0093345684,0.0093345684,GGA+U,Pnma,AB2C12D4_oP76_62_c_d_4c4d_2cd:Fe-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_oP76_62_c_d_15c22d_6c3d:Fe-Li-O-P, expected Li2FeP12O59 to be Li2Fe(PO3)4" +mp-758941,Li2Fe(PO3)4,-7.4534276445,-2.5428307232,0.0515574518,0.0515574518,GGA+U,P4/nbm,AB2C12D4_tP38_125_a_e_mn_l:Fe-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_tP38_125_a_e_4m5n_l:Fe-Li-O-P, expected Li2Fe(PO14)4 to be Li2Fe(PO3)4" +mp-26901,Li4FeP2O9,-6.9186340847,-2.452851829,0.0581388304,0.0581388304,GGA+U,C2/m,AB4C9D2_mC64_12_e_fg2i_5i2j_2i:Fe-Li-O-P,32.0,"Invalid WP multiplicities - AB4C9D2_mC64_12_f_e2g4i_9i6j_4i:Fe-Li-O-P, expected Li7FeP4O21 to be Li4FeP2O9" +mp-757676,Li4FeP2O9,-6.9009171506,-2.4351348949,0.0758557645,0.0758557645,GGA+U,P2/c,AB4C9D2_mP160_13_a2g_ce9g_f22g_5g:Fe-Li-O-P,160.0,"Invalid WP multiplicities - AB4C9D2_mP160_13_a4g_2c2e36g_2f87g_17g:Fe-Li-O-P, expected Li76Fe9(P17O88)2 to be Li4FeP2O9" +mp-757582,Li4FeP2O9,-6.8889075788,-2.423125323,0.0878653363,0.0878653363,GGA+U,Pbca,AB4C9D2_oP128_61_c_4c_9c_2c:Fe-Li-O-P,128.0,"Invalid WP multiplicities - AB4C9D2_oP128_61_c_13c_33c_5c:Fe-Li-O-P, expected Li13FeP5O33 to be Li4FeP2O9" +mp-25883,LiFe3(P3O10)2,-7.7310588697,-2.4399730109,0.0284140091,0.0284140091,GGA+U,C222_1,A3BC20D6_oC120_20_a2b_a_10c_3c:Fe-Li-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_20_2a4b_a_39c_12c:Fe-Li-O-P, expected LiFe6(P4O13)6 to be LiFe3(P3O10)2" +mp-705431,Li6Fe5(P2O7)4,-7.4523111963,-2.4391761491,0.0901825008,0.0901825008,GGA+U,P-1,A5B6C28D8_aP94_2_5i_ab5i_28i_8i:Fe-Li-O-P,94.0,"Invalid WP multiplicities - A5B6C28D8_aP94_2_9i_ab9i_54i_15i:Fe-Li-O-P, expected Li10Fe9(P5O18)3 to be Li6Fe5(P2O7)4" +mp-765643,Li2Fe2P2O9,-7.3951995957,-2.3215534911,0.0974839617,0.0974839617,GGA+U,Pnma,A2B2C9D2_oP60_62_ac_2c_5c2d_2c:Fe-Li-O-P,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_2a2c_5c_19c6d_5c:Fe-Li-O-P, expected Li5Fe4P5O31 to be Li2Fe2P2O9" +mp-1177129,Li5Fe6P5O24,-7.4538955435,-2.3001009636,0.074487569,0.074487569,GGA+U,P1,A6B5C24D5_aP40_1_6a_5a_24a_5a:Fe-Li-O-P,40.0,A6B5C24D5_aP40_1_6a_5a_24a_5a:Fe-Li-O-P +mp-697808,LiFe2P3O13,-6.9505769871,-1.7192177212000002,0.4812344743,0.4812344743,GGA+U,P-1,A2BC13D3_aP38_2_2i_i_13i_3i:Fe-Li-O-P,38.0,"Invalid WP multiplicities - A2BC13D3_aP38_2_2i_i_25i_5i:Fe-Li-O-P, expected LiFe2(PO5)5 to be LiFe2P3O13" +mp-859112,Li2FeP3O10,-7.3925108075,-2.517844459,0.0644196431,0.0644196431,GGA+U,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Fe-Li-O-P,64.0,"Invalid WP multiplicities - AB2C10D3_mP64_14_e_3e_35e_5e:Fe-Li-O-P, expected Li3Fe(PO7)5 to be Li2FeP3O10" +mp-758678,LiFe(PO3)3,-7.5925678477,-2.5112071335,0.044060792,0.0435357567,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_11i:Fe-Li-O-P, expected Li3Fe3P11O35 to be LiFe(PO3)3" +mp-762657,LiFe(PO3)3,-7.586272355,-2.5049116409,0.0503562846,0.0498312494,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Fe-Li-O-P, expected LiFeP5O17 to be LiFe(PO3)3" +mp-540313,LiFe(PO3)3,-7.6063527157,-2.5249920016000003,0.0302759239,0.0297508887,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_18i_5i:Fe-Li-O-P, expected LiFeP5O18 to be LiFe(PO3)3" +mp-26003,LiFe(PO3)3,-7.6366286396,-2.5552679255,0.0,-0.0005250352,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_2i_35i_11i:Fe-Li-O-P, expected Li2Fe3P11O35 to be LiFe(PO3)3" +mp-758555,LiFe(PO3)3,-7.5854129686,-2.5040522544,0.0512156711,0.0506906358,GGA+U,Cc,ABC9D3_mC56_9_a_a_9a_3a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_hP28_188_a_c_2k2l_k:Fe-Li-O-P, expected LiFe(PO6)3 to be LiFe(PO3)3" +mp-1661345,LiFe(PO3)3,-7.6050280746,-2.5236673605,0.031600565,0.0310755298,GGA+U,Cc,ABC9D3_mC56_9_a_a_9a_3a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_mC56_9_a_a_17a_5a:Fe-Li-O-P, expected LiFeP5O17 to be LiFe(PO3)3" +mp-758184,LiFe(PO3)3,-7.6313837284,-2.5500230143,0.0052449112,0.004719876,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Fe-Li-O-P, expected LiFe(P3O11)3 to be LiFe(PO3)3" +mp-504179,LiFe(PO3)3,-7.6336144788,-2.5522537646,0.0030141609,0.0024891257,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Fe-Li-O-P, expected LiFe(P3O11)3 to be LiFe(PO3)3" +mp-758723,LiFe(PO3)3,-7.5713086445,-2.4899479303,0.0653199952,0.0647949599,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Fe-Li-O-P, expected LiFe(P3O11)3 to be LiFe(PO3)3" +mp-758321,LiFe(PO3)3,-7.5702753493,-2.4889146351,0.0663532904,0.0658282551,GGA+U,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_a_d_2d7e_2ce:Fe-Li-O-P, expected LiFe(PO4)4 to be LiFe(PO3)3" +mp-758685,LiFe(PO3)3,-7.5940853486,-2.5127246344,0.0425432911,0.0420182558,GGA+U,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_62_c_c_10c11d_2c3d:Fe-Li-O-P, expected LiFe(PO4)8 to be LiFe(PO3)3" +mp-757732,LiFe(PO3)3,-7.5705168371,-2.489156123,0.0661118025,0.0655867673,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Fe-Li-O-P,14.0,"Invalid WP multiplicities - ABC9D3_hR42_146_a_a_8b_b:Fe-Li-O-P, expected LiFe(PO8)3 to be LiFe(PO3)3" +mp-1305316,LiFe(PO3)3,-7.6020260857,-2.5206653716,0.0346025539,0.0340775187,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Fe-Li-O-P,14.0,"Invalid WP multiplicities - ABC9D3_hR42_146_a_a_8b_b:Fe-Li-O-P, expected LiFe(PO8)3 to be LiFe(PO3)3" +mp-759437,Li2Fe2(PO4)3,-7.46300776,-2.3915309069,0.0286611346,0.0286611346,GGA+U,P1,A2B2C12D3_aP76_1_8a_8a_48a_12a:Fe-Li-O-P,76.0,A2B2C12D3_aP76_1_8a_8a_48a_12a:Fe-Li-O-P +mp-771817,Li2Fe2(PO4)3,-7.4399633889,-2.3684865359,0.0517055057,0.0517055057,GGA+U,P-1,A2B2C12D3_aP38_2_2i_2i_12i_3i:Fe-Li-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_aP38_2_3i_3i_23i_5i:Fe-Li-O-P, expected Li3Fe3P5O23 to be Li2Fe2(PO4)3" +mp-776769,Li2Fe2(PO4)3,-7.4554109371,-2.383934084,0.0362579575,0.0362579575,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Fe-Li-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_23f_ef:Fe-Li-O-P, expected Li2Fe2P3O46 to be Li2Fe2(PO4)3" +mp-849334,Li2Fe2(PO4)3,-7.4747123322,-2.4032354792,0.0169565624,0.0169565624,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Fe-Li-O-P,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_cd:Fe-Li-O-P, expected Li2Fe2(PO14)3 to be Li2Fe2(PO4)3" +mp-759608,LiFe2(PO4)3,-7.4963362026,-2.2491619059,0.0735376338,0.0735376338,GGA+U,P1,A2BC12D3_aP72_1_8a_4a_48a_12a:Fe-Li-O-P,72.0,A2BC12D3_aP72_1_8a_4a_48a_12a:Fe-Li-O-P +mp-26703,LiFe2(PO4)3,-7.4647824339,-2.2176081371,0.1050914026,0.1050914026,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_4i:Fe-Li-O-P, expected LiFe3P4O23 to be LiFe2(PO4)3" +mp-543094,LiFe2(PO4)3,-7.4968010728,-2.249626776,0.0730727637,0.0730727637,GGA+U,Pc,A2BC12D3_mP72_7_4a_2a_24a_6a:Fe-Li-O-P,72.0,A2BC12D3_mP72_7_8a_4a_48a_12a:Fe-Li-O-P +mp-697784,LiFe2(PO4)3,-7.4884277192,-2.2412534224,0.0814461173,0.0814461173,GGA+U,Cc,A2BC12D3_mC72_9_2a_a_12a_3a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_9_3a_a_24a_4a:Fe-Li-O-P, expected LiFe3(PO6)4 to be LiFe2(PO4)3" +mp-699352,LiFe2(PO4)3,-7.4345284317,-2.1873541349,0.1353454048,0.1353454048,GGA+U,C2/m,A2BC12D3_mC72_12_aci_i_6i3j_3i:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_12_ad2i_i_12i10j_4i:Fe-Li-O-P, expected LiFe3(PO8)4 to be LiFe2(PO4)3" +mp-1101524,LiFe2(PO4)3,-7.4965245036,-2.2493502069,0.0733493328,0.0733493328,GGA+U,P2/c,A2BC12D3_mP72_13_2g_ab_12g_ef2g:Fe-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_13_4g_2ab_42g_2ef5g:Fe-Li-O-P, expected Li3Fe8P13O84 to be LiFe2(PO4)3" +mp-26070,LiFe2(PO4)3,-7.4663359799,-2.2191616831,0.1035378566,0.1035378566,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_3e_e_44e_12e:Fe-Li-O-P, expected LiFe3(P3O11)4 to be LiFe2(PO4)3" +mp-540420,LiFe2(PO4)3,-7.4538528764,-2.2066785796,0.1160209601,0.1160209601,GGA+U,C2/c,A2BC12D3_mC72_15_f_e_6f_ef:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_e_19f_e2f:Fe-Li-O-P, expected LiFe2P5O38 to be LiFe2(PO4)3" +mp-1101593,LiFe2(PO4)3,-7.4979940922,-2.2508197955,0.0718797442,0.0718797442,GGA+U,C2/c,A2BC12D3_mC72_15_f_c_6f_ef:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_c_21f_2e3f:Fe-Li-O-P, expected LiFe2(P4O21)2 to be LiFe2(PO4)3" +mp-26581,LiFe2(PO4)3,-7.4968407372,-2.2496664405,0.0730330992,0.0730330992,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Fe-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_12f_e:Fe-Li-O-P, expected LiFe2(PO24)3 to be LiFe2(PO4)3" +mp-867567,LiFePO5,-7.2405054516,-2.1747941841,0.0930534279,0.0930534279,GGA+U,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Fe-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_3i_3i_19i_3i:Fe-Li-O-P, expected Li3Fe3P3O19 to be LiFePO5" +mp-756995,LiFePO5,-7.239399905,-2.1736886376,0.0941589745,0.0941589745,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Fe-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_19e_e:Fe-Li-O-P, expected LiFePO19 to be LiFePO5" +mp-758919,LiFePO5,-7.2318316016,-2.1661203341,0.1017272779,0.1017272779,GGA+U,C2/c,ABC5D_mC64_15_ac_de_5f_f:Fe-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mC64_15_a2c_2d2e_20f_f:Fe-Li-O-P, expected Li4Fe3(PO20)2 to be LiFePO5" +mp-765510,LiFePO5,-7.2235339578,-2.1578226904,0.1100249216,0.1100249216,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Fe-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_9c4d_c:Fe-Li-O-P, expected LiFePO17 to be LiFePO5" +mp-774462,LiFePO5,-7.2400821506,-2.1743708832,0.0934767288,0.0934767288,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:Fe-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_c_a_9c4d_c:Fe-Li-O-P, expected LiFePO17 to be LiFePO5" +mp-26902,Li3FeP2O9,-6.944270664,-2.3080311157,0.0983614016,0.0983614016,GGA+U,P1,AB3C9D2_aP30_1_2a_6a_18a_4a:Fe-Li-O-P,30.0,AB3C9D2_aP30_1_2a_6a_18a_4a:Fe-Li-O-P +mp-757222,Li7Fe2P7O24,-7.2245069976,-2.55160327,0.0681934509,0.0681934509,GGA+U,P2/c,A2B7C24D7_mP80_13_g_e3g_12g_f3g:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B7C24D7_mP80_13_g_e10g_41g_f5g:Fe-Li-O-P, expected Li21Fe2P11O82 to be Li7Fe2P7O24" +mp-1176933,Li7Fe4(P2O7)4,-7.4205029529,-2.5469657428,0.0175436265,0.0175436265,GGA+U,P1,A4B7C28D8_aP94_1_8a_14a_56a_16a:Fe-Li-O-P,94.0,A4B7C28D8_aP94_1_8a_14a_56a_16a:Fe-Li-O-P +mp-1177031,Li7Fe4(P2O7)4,-7.4210681133,-2.5475309032,0.0169784661,0.0169784661,GGA+U,P-1,A4B7C28D8_aP94_2_4i_7i_28i_8i:Fe-Li-O-P,94.0,"Invalid WP multiplicities - A4B7C28D8_aP94_2_7i_13i_55i_15i:Fe-Li-O-P, expected Li13Fe7(P3O11)5 to be Li7Fe4(P2O7)4" +mp-849425,Li3Fe4(P2O7)4,-7.5392623557,-2.3899470671,0.0871996414,0.0871996414,GGA+U,P1,A4B3C28D8_aP86_1_8a_6a_56a_16a:Fe-Li-O-P,86.0,A4B3C28D8_aP86_1_8a_6a_56a_16a:Fe-Li-O-P +mp-849584,Li3Fe4(P2O7)4,-7.5300113993,-2.3806961107,0.0964505978,0.0964505978,GGA+U,P1,A4B3C28D8_aP86_1_8a_6a_56a_16a:Fe-Li-O-P,86.0,A4B3C28D8_aP86_1_8a_6a_56a_16a:Fe-Li-O-P +mp-1177688,Li3Fe4(P2O7)4,-7.5250825501,-2.3757672616,0.101379447,0.101379447,GGA+U,Pc,A4B3C28D8_mP86_7_4a_3a_28a_8a:Fe-Li-O-P,86.0,A4B3C28D8_aP86_1_8a_6a_56a_16a:Fe-Li-O-P +mp-1232382,LiSiPO5,-7.4933407475,-2.8082173776,0.1072477018,0.1072477018,GGA,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-Si,32.0,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-Si +mp-1176742,LiFe2(PO3)5,-7.663038978,-2.440612522,0.082019089,0.082019089,GGA+U,Cc,A2BC15D5_mC92_9_2a_a_15a_5a:Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mC92_9_2a_a_18a_8a:Fe-Li-O-P, expected LiFe2(P4O9)2 to be LiFe2(PO3)5" +mp-1239225,Li7SiPO8,-6.3980222853,-2.6465757975,0.0659010226,0.0659010226,GGA,P1,A7B8CD_aP34_1_14a_16a_2a_2a:Li-O-P-Si,34.0,A7B8CD_aP34_1_14a_16a_2a_2a:Li-O-P-Si +mp-541929,FeSiP3O11,-7.9206708944,-2.6363694829,0.0,-0.0084247857,GGA+U,R-3c,AB11C3D_hR192_167_c_be3f_f_c:Fe-O-P-Si,64.0,AB11C3D_hR192_167_c_be3f_f_c:Fe-O-P-Si +mp-687200,LiFe(PO3)5,-7.5000875118,-2.4252789991,0.0500646376,0.0500646376,GGA+U,P2_1/c,ABC15D5_mP88_14_ac_e_15e_5e:Fe-Li-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_ac_e_53e_15e:Fe-Li-O-P, expected LiFeP15O53 to be LiFe(PO3)5" +mp-555031,Fe3SiP5O19,-7.9184110421,-2.4938046239,0.013548684,0.013548684,GGA+U,P6_3,A3B19C5D_hP112_173_2c_ab12c_a3c_2b:Fe-O-P-Si,112.0,"Invalid WP multiplicities - A3B19C5D_hP112_173_9c_2a2b70c_2a16c_3b:Fe-O-P-Si, expected Fe27Si3(P25O107)2 to be Fe3SiP5O19" +mp-758494,Li2Fe(PO3)5,-7.4684715963,-2.5313102856,0.0529503163,0.0529503163,GGA+U,Pc,AB2C15D5_mP46_7_a_2a_15a_5a:Fe-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_7_a_4a_30a_10a:Fe-Li-O-P, expected Li4Fe(PO3)10 to be Li2Fe(PO3)5" +mp-705356,Li2Fe(PO3)5,-7.4855593617,-2.5483980511,0.0358625508,0.0358625508,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Fe-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_6e21f_2e7f:Fe-Li-O-P, expected Li2Fe(PO3)16 to be Li2Fe(PO3)5" +mp-705437,Li3Fe3P8O29,-7.3137458381,-2.2463685147,0.1143657181,0.1143657181,GGA+U,C2/c,A3B3C29D8_mC172_15_ef_af_e14f_4f:Fe-Li-O-P,86.0,"Invalid WP multiplicities - A3B3C29D8_mC172_15_e2f_cf_2e55f_14f:Fe-Li-O-P, expected Li3Fe5(PO4)28 to be Li3Fe3P8O29" +mp-758971,Li3Fe5(PO4)6,-7.5754977495,-2.3313604137,0.0948153024,0.0948153024,GGA+U,P1,A5B3C24D6_aP38_1_5a_3a_24a_6a:Fe-Li-O-P,38.0,A5B3C24D6_aP38_1_5a_3a_24a_6a:Fe-Li-O-P +mp-1177652,Li3Fe5(PO4)6,-7.6254618046,-2.3813244688,0.0448512472,0.0448512472,GGA+U,C2/c,A5B3C24D6_mC152_15_c2ef_ef_12f_2e2f:Fe-Li-O-P,76.0,"Invalid WP multiplicities - A5B3C24D6_mC152_15_2a4e4f_2e3f_45f_4e7f:Fe-Li-O-P, expected Li4Fe7(PO5)9 to be Li3Fe5(PO4)6" +mp-756144,Li4Fe(PO4)2,-7.0074222077,-2.5737003823,0.0529397477,0.0529397477,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-P,30.0,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-P +mp-1273431,Li4Fe(PO4)2,-7.0085557832,-2.5748339578,0.0518061722,0.0518061722,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-P,60.0,AB4C8D2_aP15_2_a_2i_4i_i:Fe-Li-O-P +mp-31890,Li4Fe(PO4)2,-7.0513682997,-2.6176464743,0.0089936557,0.0089936557,GGA+U,P2_1/c,AB4C8D2_mP60_14_e_4e_8e_2e:Fe-Li-O-P,60.0,"Invalid WP multiplicities - AB4C8D2_mP60_14_e_14e_30e_3e:Fe-Li-O-P, expected Li14Fe(PO10)3 to be Li4Fe(PO4)2" +mp-1013899,LiFe3P3O13,-7.653289155,-2.2599967919,0.0483412978,0.0483412978,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Fe-Li-O-P, expected LiFe5P3O34 to be LiFe3P3O13" +mp-1225141,Fe2SiP,-7.4178252337,-0.4731594946,0.0640416669,0.0640416669,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Fe-P-Si,8.0,A2BC_oP8_26_ab_a_b:Fe-P-Si +mp-705398,LiFeP4O13,-7.3672431046,-2.2967637704,0.1199925178,0.1199925178,GGA+U,P1,ABC13D4_aP76_1_4a_4a_52a_16a:Fe-Li-O-P,76.0,ABC13D4_aP76_1_4a_4a_52a_16a:Fe-Li-O-P +mp-1101540,LiFeP4O13,-7.3764659483,-2.3059866141,0.1107696741,0.1107696741,GGA+U,P1,ABC13D4_aP76_1_4a_4a_52a_16a:Fe-Li-O-P,76.0,ABC13D4_aP76_1_4a_4a_52a_16a:Fe-Li-O-P +mp-758205,Li2Fe3P9O28,-7.6249032048,-2.4712147324,0.0515945445,0.0515945445,GGA+U,P-1,A3B2C28D9_aP42_2_bi_i_14i_d4i:Fe-Li-O-P,42.0,"Invalid WP multiplicities - A3B2C28D9_aP42_2_bi_i_28i_d8i:Fe-Li-O-P, expected Li2Fe3P17O56 to be Li2Fe3P9O28" +mp-1013910,LiFe2P2O9,-7.5375533721,-2.2378556078,0.058913774,0.058913774,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Fe-Li-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Fe-Li-O-P, expected LiFe2P2O11 to be LiFe2P2O9" +mp-758965,LiFe5P3O13,-7.9016166759,-2.2286216903,0.0528391259,0.0528391259,GGA+U,P-1,A5BC13D3_aP44_2_5i_i_13i_3i:Fe-Li-O-P,44.0,"Invalid WP multiplicities - A5BC13D3_aP44_2_9i_i_25i_5i:Fe-Li-O-P, expected LiFe9(PO5)5 to be LiFe5P3O13" +mp-1200149,LiFe2(P2O7)2,-7.5769515407,-2.3504840516,0.0744733738,0.0744733738,GGA+U,Pccn,A2BC14D4_oP84_56_e_a_7e_2e:Fe-Li-O-P,84.0,A2BC14D4_oP84_56_e_a_7e_2e:Fe-Li-O-P +mp-743761,LiFe3SiPO8,-7.8386942886,-2.2864716655,0.1050370857,0.1050370857,GGA+U,Pc,A3BC8DE_mP28_7_3a_a_8a_a_a:Fe-Li-O-P-Si,28.0,"Invalid WP multiplicities - A3BC8DE_mP28_7_6a_a_16a_a_a:Fe-Li-O-P-Si, expected LiFe6SiPO16 to be LiFe3SiPO8" +mp-1222519,LiFe3SiPO8,-7.93933176,-2.3871091369,0.0043996143,0.0043996143,GGA+U,P2_1/m,A3BC8DE_mP28_11_a2e_d_4e2f_e_e:Fe-Li-O-P-Si,28.0,"Invalid WP multiplicities - A3BC8DE_mP28_11_a4e_b_8e8f_e_e:Fe-Li-O-P-Si, expected LiFe5SiPO24 to be LiFe3SiPO8" +mp-758636,Li2Fe3(P2O7)2,-7.6774120207,-2.4541615273,0.0265470446,0.0265470446,GGA+U,P-1,A3B2C14D4_aP46_2_3i_2i_14i_4i:Fe-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_aP46_2_5i_3i_27i_7i:Fe-Li-O-P, expected Li3Fe5P7O27 to be Li2Fe3(P2O7)2" +mp-540433,Li2Fe3(P2O7)2,-7.6671206465,-2.4438701532,0.0368384187,0.0368384187,GGA+U,P-1,A3B2C14D4_aP23_2_ai_i_7i_2i:Fe-Li-O-P,23.0,"Invalid WP multiplicities - A3B2C14D4_aP23_2_a2i_i_14i_2i:Fe-Li-O-P, expected Li2Fe5(PO7)4 to be Li2Fe3(P2O7)2" +mp-655124,Li2Fe3(P2O7)2,-7.599063282799999,-2.3758127895,0.1048957824,0.1048957824,GGA+U,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Fe-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_ae_e_27e_5e:Fe-Li-O-P, expected Li2Fe3(P5O27)2 to be Li2Fe3(P2O7)2" +mp-603606,Li2Fe3(P2O7)2,-7.6500770572,-2.4268265638,0.053882008,0.053882008,GGA+U,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Fe-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_ae_e_27e_5e:Fe-Li-O-P, expected Li2Fe3(P5O27)2 to be Li2Fe3(P2O7)2" +mp-26985,Li2Fe3(P2O7)2,-7.6998334483,-2.4765829549,0.004125617,0.004125617,GGA+U,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Fe-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_ae_e_22e_6e:Fe-Li-O-P, expected Li2Fe3(P3O11)4 to be Li2Fe3(P2O7)2" +mp-772975,Li4Fe2(PO4)3,-7.28824421,-2.5179629747,0.0278665518,0.0278665518,GGA+U,P-1,A2B4C12D3_aP42_2_2i_4i_12i_3i:Fe-Li-O-P,42.0,"Invalid WP multiplicities - A2B4C12D3_aP42_2_3i_7i_23i_5i:Fe-Li-O-P, expected Li7Fe3P5O23 to be Li4Fe2(PO4)3" +mp-1177430,Li4Fe2(PO4)3,-7.2798070102,-2.5095257749,0.0363037515,0.0363037515,GGA+U,P-1,A2B4C12D3_aP42_2_2i_4i_12i_3i:Fe-Li-O-P,42.0,"Invalid WP multiplicities - A2B4C12D3_aP42_2_2i_7i_23i_5i:Fe-Li-O-P, expected Li7Fe2P5O23 to be Li4Fe2(PO4)3" +mp-780568,Li4Fe2(PO4)3,-7.2693402385,-2.4990590031,0.0467705233,0.0467705233,GGA+U,Pbcn,A2B4C12D3_oP84_60_d_2d_6d_cd:Fe-Li-O-P,84.0,"Invalid WP multiplicities - A2B4C12D3_oP84_60_d_5d_21d_3c2d:Fe-Li-O-P, expected Li10Fe2(PO6)7 to be Li4Fe2(PO4)3" +mp-1177121,Li7Fe4(PO4)6,-7.344135428,-2.5040649642,0.0232795704,0.0232795704,GGA+U,P1,A4B7C24D6_aP41_1_4a_7a_24a_6a:Fe-Li-O-P,41.0,A4B7C24D6_aP41_1_4a_7a_24a_6a:Fe-Li-O-P +mp-761017,Li7Fe4(PO4)6,-7.3227975961,-2.4827271323,0.0446174024,0.0446174024,GGA+U,P1,A4B7C24D6_aP41_1_4a_7a_24a_6a:Fe-Li-O-P,41.0,A4B7C24D6_aP41_1_4a_7a_24a_6a:Fe-Li-O-P +mp-772517,Li7Fe4(PO4)6,-7.3208203843,-2.4807499204,0.0465946142,0.0465946142,GGA+U,Cc,A4B7C24D6_mC164_9_4a_7a_24a_6a:Fe-Li-O-P,82.0,"Invalid WP multiplicities - A4B7C24D6_mC164_9_6a_13a_48a_12a:Fe-Li-O-P, expected Li13Fe6(PO4)12 to be Li7Fe4(PO4)6" +mp-849164,Li3Fe2(PO4)3,-2.3177105463,2.5956386075,5.1035739008,5.098491135,GGA+U,P1,A2B3C12D3_aP40_1_4a_6a_24a_6a:Fe-Li-O-P,40.0,A2B3C12D3_aP40_1_4a_6a_24a_6a:Fe-Li-O-P +mp-758654,Li3Fe2(PO4)3,-7.415528111,-2.5021789573,0.005756336,0.0006735703,GGA+U,P1,A2B3C12D3_aP40_1_4a_6a_24a_6a:Fe-Li-O-P,40.0,A2B3C12D3_aP40_1_4a_6a_24a_6a:Fe-Li-O-P +mp-6373,Li3Fe2(PO4)3,-7.4202477554,-2.5068986016,0.0010366916,-0.0040460741,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Li-O-P,80.0,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Li-O-P +mp-849395,Li3Fe2(PO4)3,-7.4065197933,-2.4931706395,0.0147646538,0.009681888,GGA+U,P-1,A2B3C12D3_aP40_2_2i_3i_12i_3i:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_aP40_2_3i_5i_23i_5i:Fe-Li-O-P, expected Li5Fe3P5O23 to be Li3Fe2(PO4)3" +mp-758962,Li3Fe2(PO4)3,-7.3661497543,-2.4528006005,0.0551346928,0.050051927,GGA+U,C2,A2B3C12D3_mC160_5_2a2b2c_6c_24c_6c:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_5_2a2b4c_10c_48c_12c:Fe-Li-O-P, expected Li5Fe3(PO4)6 to be Li3Fe2(PO4)3" +mp-775523,Li3Fe2(PO4)3,-7.3771134028,-2.463764249,0.0441710443,0.0390882785,GGA+U,C2,A2B3C12D3_mC80_5_2c_ab2c_12c_ab2c:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_5_2c_ab3c_24c_ab2c:Fe-Li-O-P, expected Li4Fe2(PO8)3 to be Li3Fe2(PO4)3" +mp-772738,Li3Fe2(PO4)3,-7.3791206256,-2.4657714719,0.0421638214,0.0370810556,GGA+U,C2,A2B3C12D3_mC160_5_2a2b2c_6c_24c_6c:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_5_2a2b4c_11c_47c_11c:Fe-Li-O-P, expected Li11Fe6P11O47 to be Li3Fe2(PO4)3" +mp-773158,Li3Fe2(PO4)3,-7.3382838785,-2.4249347248,0.0830005685,0.0779178028,GGA+U,C2,A2B3C12D3_mC160_5_4c_ab5c_24c_6c:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_5_6c_ab10c_48c_10c:Fe-Li-O-P, expected Li11Fe6(P5O24)2 to be Li3Fe2(PO4)3" +mp-705329,Li3Fe2(PO4)3,-7.393637799,-2.4802886452,0.027646648,0.0225638823,GGA+U,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_3a_6a_22a_4a:Fe-Li-O-P, expected Li6Fe3(P2O11)2 to be Li3Fe2(PO4)3" +mp-26677,Li3Fe2(PO4)3,-7.3859673113,-2.4726181575,0.0353171358,0.03023437,GGA+U,C2/m,A2B3C12D3_mC80_12_aci_3i_6i3j_3i:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_12_ad2i_6i_11i11j_5i:Fe-Li-O-P, expected Li6Fe3P5O33 to be Li3Fe2(PO4)3" +mp-504385,Li3Fe2(PO4)3,-7.3839001596,-2.4705510059,0.0373842874,0.0323015216,GGA+U,P2/c,A2B3C12D3_mP80_13_2g_abefg_12g_ef2g:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_13_2g_2a2b2e2f3g_46g_2ef6g:Fe-Li-O-P, expected Li14Fe4P15O92 to be Li3Fe2(PO4)3" +mp-26069,Li3Fe2(PO4)3,-7.4151175364,-2.5017683826,0.0061669106,0.0010841449,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_5e_7e_44e_11e:Fe-Li-O-P, expected Li7Fe5(PO4)11 to be Li3Fe2(PO4)3" +mp-25993,Li3Fe2(PO4)3,-7.421284447,-2.5079352932,0.0,-0.0050827657,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_7e_44e_11e:Fe-Li-O-P, expected Li7Fe3(PO4)11 to be Li3Fe2(PO4)3" +mp-585226,Li3Fe2(PO4)3,-7.3917998865,-2.4784507328,0.0294845605,0.0244017948,GGA+U,C2/c,A2B3C12D3_mC80_15_f_cf_6f_ef:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a3f_21f_2e3f:Fe-Li-O-P, expected Li4FeP4O21 to be Li3Fe2(PO4)3" +mp-26825,Li3Fe2(PO4)3,-7.3839773498,-2.470628196,0.0373070973,0.0322243315,GGA+U,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a4e_21f_e2f:Fe-Li-O-P, expected Li6Fe2P5O42 to be Li3Fe2(PO4)3" +mp-759282,Li3Fe2(PO4)3,-7.4172589308,-2.503909777,0.0040255163,-0.0010572495,GGA+U,P2_12_12,A2B3C12D3_oP80_18_2c_3c_12c_ab2c:Fe-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_oP80_18_2c_4c_22c_2a2b2c:Fe-Li-O-P, expected Li2FeP2O11 to be Li3Fe2(PO4)3" +mp-19430,Li3Fe2(PO4)3,-7.4164200603,-2.5030709065,0.0048643868,-0.000218379,GGA+U,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Fe-Li-O-P,40.0,A2B3C12D3_hR120_148_2c_f_4f_f:Fe-Li-O-P +mp-765598,Li3Fe2(PO4)3,-7.3728531454,-2.4595039916,0.0484313016,0.0433485359,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Fe-Li-O-P,80.0,A2B3C12D3_cI160_230_a_c_h_d:Fe-Li-O-P +mp-849415,LiFeP2O7,-7.5229523882,-2.4472823819,0.0796813695,0.0589376798,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-831266,LiFeP2O7,-7.51050929,-2.4348392838,0.0921244677,0.071380778,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-849452,LiFeP2O7,-7.528903276,-2.4532332698,0.0737304817,0.0529867919,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-849490,LiFeP2O7,-7.5160769273,-2.440406921,0.0865568305,0.0658131407,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-849555,LiFeP2O7,-7.5243410751,-2.4486710689,0.0782926826,0.0575489929,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-849557,LiFeP2O7,-7.5203869741,-2.4447169678,0.0822467836,0.0615030939,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-782726,LiFeP2O7,-7.5198956924,-2.4442256861,0.0827380653,0.0619943756,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-26326,LiFeP2O7,-7.5678038705,-2.4921338642,0.0348298873,0.0140861975,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P +mp-26546,LiFeP2O7,-7.5651678395,-2.4894978333,0.0374659182,0.0167222284,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Fe-Li-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Fe-Li-O-P +mp-1101521,LiFeP2O7,-7.4980566414,-2.4223866351,0.1045771164,0.0838334266,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P +mp-1101560,LiFeP2O7,-7.4875454255,-2.4118754192000003,0.1150883323,0.0943446425,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Fe-Li-O-P +mp-1176772,LiFeP2O7,-7.5243917273,-2.448721721,0.0782420305,0.0574983407,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Fe-Li-O-P +mp-19294,LiFeP2O7,-7.6026337577,-2.5269637515,0.0,-0.0207436898,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_12a_2a:Fe-Li-O-P, expected LiFe(PO6)2 to be LiFeP2O7" +mp-753018,LiFeP2O7,-7.50801953,-2.4323495237,0.0946142277,0.073870538,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Fe-Li-O-P, expected LiFeP3O13 to be LiFeP2O7" +mp-752697,LiFeP2O7,-7.5286906941,-2.4530206878,0.0739430636,0.0531993739,GGA+U,P-1,ABC7D2_aP22_2_i_ab_7i_2i:Fe-Li-O-P,44.0,ABC7D2_aP22_2_i_ab_7i_2i:Fe-Li-O-P +mp-800964,LiFeP2O7,-5.6395370395,-0.5638670333,1.9630967182,1.9423530284,GGA+U,P-1,ABC7D2_aP22_2_i_ac_7i_2i:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_ac_13i_3i:Fe-Li-O-P, expected LiFeP3O13 to be LiFeP2O7" +mp-26563,LiFeP2O7,-7.5811676473,-2.505497641,0.0214661105,0.0007224207,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_12i_2i:Fe-Li-O-P, expected LiFe(PO6)2 to be LiFeP2O7" +mp-752859,LiFeP2O7,-7.5271192123,-2.451449206,0.0755145455,0.0547708557,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_13a_3a:Fe-Li-O-P, expected LiFeP3O13 to be LiFeP2O7" +mp-697764,LiFeP2O7,-7.5812895461,-2.5056195399,0.0213442116,0.0006005218,GGA+U,C2,ABC7D2_mC88_5_2c_2c_14c_4c:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_6f:Fe-Li-O-P, expected LiFeP6O25 to be LiFeP2O7" +mp-26181,LiFeP2O7,-7.5854395155,-2.5097695092,0.0171942423,-0.0035494475,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Fe-Li-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Fe-Li-O-P, expected LiFeP2O13 to be LiFeP2O7" +mp-766136,LiFeP2O7,-7.5574498682,-2.4817798619,0.0451838895,0.0244401998,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_3a_28a_8a:Fe-Li-O-P, expected Li3Fe2(P2O7)4 to be LiFeP2O7" +mp-26358,LiFeP2O7,-7.5633036689,-2.4876336626,0.0393300889,0.0185863991,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_4a_27a_7a:Fe-Li-O-P, expected Li4Fe2P7O27 to be LiFeP2O7" +mp-689979,LiFeP2O7,-7.442670435,-2.3670004287,0.1599633227,0.139219633,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_14a_2a:Fe-Li-O-P, expected LiFe(PO7)2 to be LiFeP2O7" +mp-694534,LiFeP2O7,-7.4643447505,-2.3886747442000003,0.1382890073,0.1175453175,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_13a_3a:Fe-Li-O-P, expected LiFeP3O13 to be LiFeP2O7" +mp-31837,LiFeP2O7,-7.5588009786,-2.4831309724,0.0438327791,0.0230890893,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_13a_3a:Fe-Li-O-P, expected LiFeP3O13 to be LiFeP2O7" +mp-26613,LiFeP2O7,-7.5662195298,-2.4905495235,0.036414228,0.0156705382,GGA+U,P2_1/m,ABC7D2_mP44_11_f_f_6e4f_4e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_11_f_f_12e9f_7e:Fe-Li-O-P, expected Li2Fe2P7O30 to be LiFeP2O7" +mp-697758,LiFeP2O7,-7.5698357443,-2.4941657381,0.0327980134,0.0120543237,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_4e:Fe-Li-O-P, expected LiFeP4O27 to be LiFeP2O7" +mp-695816,LiFeP2O7,-7.5230912273,-2.447421221,0.0795425305,0.0587988407,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_4e:Fe-Li-O-P, expected LiFe(P2O13)2 to be LiFeP2O7" +mp-758072,LiFeP2O7,-7.5446651827,-2.4689951765,0.057968575,0.0372248852,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_5e:Fe-Li-O-P, expected LiFeP5O27 to be LiFeP2O7" +mp-758535,LiFeP2O7,-7.5466617961,-2.4709917899,0.0559719616,0.0352282718,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_5e:Fe-Li-O-P, expected LiFeP5O27 to be LiFeP2O7" +mp-758561,LiFeP2O7,-7.5058997734,-2.4302297672,0.0967339843,0.0759902946,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_3e:Fe-Li-O-P, expected LiFe(PO9)3 to be LiFeP2O7" +mp-758762,LiFeP2O7,-7.5054277543,-2.4297577481,0.0972060034,0.0764623137,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Fe-Li-O-P, expected LiFe(PO5)5 to be LiFeP2O7" +mp-757908,LiFeP2O7,-7.5590243611,-2.4833543549,0.0436093966,0.0228657068,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Fe-Li-O-P, expected LiFeP3O25 to be LiFeP2O7" +mp-758771,LiFeP2O7,-7.5483095239,-2.4726395176,0.0543242339,0.0335805441,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_3e:Fe-Li-O-P, expected LiFe(PO9)3 to be LiFeP2O7" +mp-26717,LiFeP2O7,-7.5646969527,-2.4890269465,0.037936805,0.0171931152,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_3e:Fe-Li-O-P, expected LiFeP3O26 to be LiFeP2O7" +mp-26749,LiFeP2O7,-7.566587464799999,-2.4909174585,0.036046293,0.0153026032,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_3e:Fe-Li-O-P, expected LiFeP3O26 to be LiFeP2O7" +mp-26643,LiFeP2O7,-7.5748089375,-2.4991389313,0.0278248202,0.0070811305,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_6e:Fe-Li-O-P, expected LiFe(P2O9)3 to be LiFeP2O7" +mp-1101512,LiFeP2O7,-7.5888498593,-2.5131798531,0.0137838984,-0.0069597913,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_4e:Fe-Li-O-P, expected LiFe(PO6)4 to be LiFeP2O7" +mp-758208,LiFeP2O7,-7.5367753139,-2.4611053076,0.0658584439,0.0451147541,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_5f:Fe-Li-O-P, expected LiFe(PO5)5 to be LiFeP2O7" +mp-705011,LiFeP2O7,-7.4257732639,-2.3501032576,0.1768604939,0.1561168041,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_5f:Fe-Li-O-P, expected LiFeP5O23 to be LiFeP2O7" +mp-1101516,LiFeP2O7,-7.583921772,-2.5082517658,0.0187119857,-0.0020317041,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_6f:Fe-Li-O-P, expected LiFeP6O25 to be LiFeP2O7" +mp-1101522,LiFeP2O7,-7.4325734218,-2.3569034156,0.1700603359,0.1493166462,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Fe-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_5f:Fe-Li-O-P, expected LiFeP5O23 to be LiFeP2O7" +mp-758470,LiFe2P5O16,-7.645280521,-2.4343431377,0.067307702,0.067307702,GGA+U,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Fe-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_3a_a_32a_9a:Fe-Li-O-P, expected LiFe3P9O32 to be LiFe2P5O16" +mp-26184,LiFe2P5O16,-7.7083067683,-2.497369385,0.0042814547,0.0042814547,GGA+U,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Fe-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_4a_a_32a_9a:Fe-Li-O-P, expected LiFe4P9O32 to be LiFe2P5O16" +mp-766138,Li3Fe2(PO5)2,-7.1494908571,-2.269473025,0.1049695975,0.1049695975,GGA+U,Cmce,A2B3C10D2_oC68_64_f_ac_f2g_e:Fe-Li-O-P,34.0,"Invalid WP multiplicities - A2B3C10D2_oC68_64_f_2a2c_3f13g_e:Fe-Li-O-P, expected Li3FePO29 to be Li3Fe2(PO5)2" +mp-757035,Li5FeP3O11,-7.0361354757,-2.6027295314,0.0495491802,0.0495491802,GGA+U,P-1,AB5C11D3_aP40_2_bd_5i_11i_3i:Fe-Li-O-P,40.0,"Invalid WP multiplicities - AB5C11D3_aP40_2_bd_9i_21i_5i:Fe-Li-O-P, expected Li9FeP5O21 to be Li5FeP3O11" +mp-31885,Li3Fe2P5O16,-7.5084649148,-2.5515286481,0.0149718746,0.0149718746,GGA+U,P2/c,A2B3C16D5_mP52_13_g_eg_8g_f2g:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A2B3C16D5_mP52_13_g_2eg_31g_2f7g:Fe-Li-O-P, expected Li2FeP8O31 to be Li3Fe2P5O16" +mp-1225379,Fe5SiP,-7.8908096012,-0.2924200888,0.07775477,0.07775477,GGA,Cm,A5BC_mC84_8_10a10b_4ab_3b:Fe-P-Si,42.0,A5BC_mC84_8_10a10b_4ab_3b:Fe-P-Si +mp-766462,Li2FePO5,-7.1277027847,-2.412745784,0.0564479589,0.0564479589,GGA+U,Pc,AB2C5D_mP36_7_2a_4a_10a_2a:Fe-Li-O-P,36.0,AB2C5D_mP36_7_4a_8a_20a_4a:Fe-Li-O-P +mp-861176,Li2FePO5,-7.0897253219,-2.3747683212,0.0944254217,0.0944254217,GGA+U,P2_1/c,AB2C5D_mP72_14_2e_4e_10e_2e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - AB2C5D_mP72_14_7e_13e_37e_7e:Fe-Li-O-P, expected Li13Fe7P7O37 to be Li2FePO5" +mp-757248,Li2FePO5,-7.0928465481,-2.3778895474,0.0913041956,0.0913041956,GGA+U,Pmc2_1,AB2C5D_oP36_26_ab_abc_ab4c_c:Fe-Li-O-P,36.0,"Invalid WP multiplicities - AB2C5D_oP36_26_ab_ab2c_ab8c_c:Fe-Li-O-P, expected Li3FePO9 to be Li2FePO5" +mp-761481,Li2FePO5,-7.1153844003,-2.4004273996,0.0687663433,0.0687663433,GGA+U,P4/nmm,AB2C5D_tP18_129_c_d_ci_b:Fe-Li-O-P,36.0,AB2C5D_tP18_129_c_d_ci_b:Fe-Li-O-P +mp-771770,Li2Fe3(PO4)3,-7.6175547445,-2.3761506736,0.0611020785,0.0611020785,GGA+U,C2,A3B2C12D3_mC80_5_3c_abc_12c_ab2c:Fe-Li-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_5_6c_abc_22c_ab2c:Fe-Li-O-P, expected Li2Fe6P3O22 to be Li2Fe3(PO4)3" +mp-26077,Li3Fe3(PO4)4,-7.5339996969,-2.4594973263,0.0086063781,0.0086063781,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Fe-Li-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Fe-Li-O-P +mp-758557,Li3Fe3(PO4)4,-7.4957399533,-2.4212375827,0.0468661217,0.0468661217,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Fe-Li-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Fe-Li-O-P +mp-1239312,Li3Fe3(PO4)4,-7.3373632483,-2.2628608776,0.2052428267,0.2052428267,GGA+U,P1,A3B3C16D4_aP52_1_6a_6a_32a_8a:Fe-Li-O-P,52.0,A3B3C16D4_aP52_1_6a_6a_32a_8a:Fe-Li-O-P +mp-758514,Li3Fe3(PO4)4,-7.4511892792,-2.3766869086,0.0914167958,0.0914167958,GGA+U,P-1,A3B3C16D4_aP52_2_3i_3i_16i_4i:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_aP52_2_5i_5i_31i_7i:Fe-Li-O-P, expected Li5Fe5P7O31 to be Li3Fe3(PO4)4" +mp-1177796,Li3Fe3(PO4)4,-7.4919356235,-2.4174332528,0.0506704515,0.0506704515,GGA+U,P-1,A3B3C16D4_aP52_2_3i_3i_16i_4i:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_aP52_2_5i_5i_31i_7i:Fe-Li-O-P, expected Li5Fe5P7O31 to be Li3Fe3(PO4)4" +mp-25813,Li3Fe3(PO4)4,-7.4919448523,-2.4174424817,0.0506612227,0.0506612227,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_32a_7a:Fe-Li-O-P, expected Li5Fe5P7O32 to be Li3Fe3(PO4)4" +mp-27027,Li3Fe3(PO4)4,-7.5316338758,-2.4571315051,0.0109721992,0.0109721992,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_4a_5a_29a_7a:Fe-Li-O-P, expected Li5Fe4P7O29 to be Li3Fe3(PO4)4" +mp-26307,Li3Fe3(PO4)4,-7.5192229452,-2.4447205746,0.0233831298,0.0233831298,GGA+U,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_14_2a2e_2d2e_28e_3e:Fe-Li-O-P, expected Li3Fe3P3O28 to be Li3Fe3(PO4)4" +mp-26807,Li3Fe3(PO4)4,-7.5055163208,-2.4310139501,0.0370897542,0.0370897542,GGA+U,C2/c,A3B3C16D4_mC104_15_cf_ef_8f_2f:Fe-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_2a2f_2e2f_32f_7f:Fe-Li-O-P, expected Li3Fe3P7O32 to be Li3Fe3(PO4)4" +mp-859124,Li5Fe(P2O7)2,-7.1034632665,-2.5650679528,0.079750514,0.079750514,GGA+U,P-1,AB5C14D4_aP48_2_i_5i_14i_4i:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB5C14D4_aP48_2_i_9i_27i_7i:Fe-Li-O-P, expected Li9FeP7O27 to be Li5Fe(P2O7)2" +mp-26471,Li4Fe5(P3O11)2,-7.61023116,-2.4401564518,0.0406371089,0.0406371089,GGA+U,P2_1/c,A5B4C22D6_mP74_14_a2e_2e_11e_3e:Fe-Li-O-P,74.0,"Invalid WP multiplicities - A5B4C22D6_mP74_14_2a4e_6e_40e_6e:Fe-Li-O-P, expected Li6Fe5(P3O20)2 to be Li4Fe5(P3O11)2" +mp-705404,Li4Fe3P4O15,-7.4361359684,-2.4784707456,0.0463309579,0.0463309579,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Fe-Li-O-P,104.0,"Invalid WP multiplicities - A3B4C15D4_oP104_33_10a_11a_57a_14a:Fe-Li-O-P, expected Li11Fe10P14O57 to be Li4Fe3P4O15" +mp-765579,Li3FePO5,-6.873819297,-2.4394657097,0.0602723625,0.0602723625,GGA+U,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Fe-Li-O-P,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:Fe-Li-O-P, expected Li6FePO10 to be Li3FePO5" +mp-758774,Li4Fe7(PO4)6,-7.6861393488,-2.3659885184,0.0566315738,0.0566315738,GGA+U,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Fe-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Fe-Li-O-P +mp-758935,Li4Fe7(PO4)6,-7.680530272,-2.3603794415,0.0622406506,0.0622406506,GGA+U,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Fe-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Fe-Li-O-P +mp-759311,Li2Fe3P5O18,-7.6061063584,-2.4155771191,0.0703226302,0.0703226302,GGA+U,C2/c,A3B2C18D5_mC112_15_af_f_9f_e2f:Fe-Li-O-P,56.0,"Invalid WP multiplicities - A3B2C18D5_mC112_15_cf_f_31f_e3f:Fe-Li-O-P, expected Li2Fe3P7O62 to be Li2Fe3P5O18" +mp-25809,Li6Fe9(PO4)8,-7.6461459951,-2.3864335059,0.051029919,0.051029919,GGA+U,P-1,A9B6C32D8_aP55_2_bcd3i_3i_16i_4i:Fe-Li-O-P,55.0,"Invalid WP multiplicities - A9B6C32D8_aP55_2_bcd6i_4i_31i_7i:Fe-Li-O-P, expected Li8Fe15(P7O31)2 to be Li6Fe9(PO4)8" +mp-697800,LiFe4P7O24,-7.7568771222,-2.4123589466,0.0338521937,0.0338521937,GGA+U,P-1,A4BC24D7_aP72_2_4i_i_24i_7i:Fe-Li-O-P,72.0,"Invalid WP multiplicities - A4BC24D7_aP72_2_5i_i_48i_12i:Fe-Li-O-P, expected LiFe5(PO4)12 to be LiFe4P7O24" +mp-632692,LiFe4(PO4)4,-7.8139446568,-2.3503751723,0.0257249734,0.0257249734,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Li-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Fe-Li-O-P +mp-1222420,LiFe4(PO4)4,-7.8001931172,-2.3366236327,0.039476513,0.039476513,GGA+U,Imm2,A4BC16D4_oI50_44_2c_a_4c2de_abc:Fe-Li-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_oI50_44_3c_a_8c4de_abc:Fe-Li-O-P, expected LiFe6(PO7)4 to be LiFe4(PO4)4" +mp-697811,Li2FeP2O7,-7.357781921,-2.5460075098,0.0299741316,0.0299741316,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Fe-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Fe-Li-O-P +mp-1982622,Li2FeP2O7,-7.3405980537,-2.5288236425,0.0471579989,0.0471579989,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Fe-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Fe-Li-O-P +mp-752659,Li2FeP2O7,-7.340533719,-2.5287593077,0.0472223337,0.0472223337,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P +mp-695805,Li2FeP2O7,-7.3687926158,-2.5570182045000003,0.0189634368,0.0189634368,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P +mp-752657,Li2FeP2O7,-7.355894109,-2.5441196977,0.0318619437,0.0318619437,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P +mp-1367721,Li2FeP2O7,-5.0208843308,-0.2091099195,2.3668717218,2.3668717218,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_13i_3i:Fe-Li-O-P, expected Li3FeP3O13 to be Li2FeP2O7" +mp-1644021,Li2FeP2O7,-7.354520220599999,-2.5427458093,0.033235832,0.033235832,GGA+U,P-1,AB2C7D2_aP24_2_bd_2i_7i_2i:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_2b2d_3i_10i_3i:Fe-Li-O-P, expected Li3Fe2P3O10 to be Li2FeP2O7" +mp-1641248,Li2FeP2O7,-7.3559850833,-2.544210672,0.0317709693,0.0317709693,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Fe-Li-O-P +mp-779056,Li2FeP2O7,-7.3833938733,-2.571619462,0.0043621793,0.0043621793,GGA+U,P2_1,AB2C7D2_mP24_4_a_2a_7a_2a:Fe-Li-O-P,48.0,AB2C7D2_mP24_4_a_2a_7a_2a:Fe-Li-O-P +mp-772539,Li2FeP2O7,-7.2976872328,-2.4859128215,0.0900688198,0.0900688198,GGA+U,P2_1,AB2C7D2_mP96_4_4a_8a_28a_8a:Fe-Li-O-P,96.0,"Invalid WP multiplicities - AB2C7D2_mP96_4_7a_15a_55a_15a:Fe-Li-O-P, expected Li15Fe7(P3O11)5 to be Li2FeP2O7" +mp-25845,Li2FeP2O7,-7.3516859058,-2.5399114945,0.0360701468,0.0360701468,GGA+U,C2/m,AB2C7D2_mC48_12_i_gh_i3j_j:Fe-Li-O-P,48.0,AB2C7D2_mC48_12_i_gh_i3j_j:Fe-Li-O-P +mp-757481,Li2FeP2O7,-7.3532935015,-2.5415190902,0.0344625512,0.0344625512,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_3e_25e_7e:Fe-Li-O-P, expected Li3FeP7O25 to be Li2FeP2O7" +mp-540231,Li2FeP2O7,-7.3641792421,-2.5524048308,0.0235768106,0.0235768106,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_6e_22e_2e:Fe-Li-O-P, expected Li6Fe(PO11)2 to be Li2FeP2O7" +mp-849623,Li2FeP2O7,-7.3752070696,-2.5634326583,0.0125489831,0.0125489831,GGA+U,P2_1/c,AB2C7D2_mP96_14_2e_4e_14e_4e:Fe-Li-O-P,96.0,"Invalid WP multiplicities - AB2C7D2_mP96_14_5e_13e_53e_13e:Fe-Li-O-P, expected Li13Fe5P13O53 to be Li2FeP2O7" +mp-26255,Li2FeP2O7,-7.3683231583,-2.556548747,0.0194328943,0.0194328943,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_5e_23e_6e:Fe-Li-O-P, expected Li5FeP6O23 to be Li2FeP2O7" +mp-752770,Li2FeP2O7,-7.3541138225,-2.5423394112,0.0336422301,0.0336422301,GGA+U,C2/c,AB2C7D2_mC48_15_c_f_e3f_f:Fe-Li-O-P,48.0,AB2C7D2_mC48_15_a_f_e3f_f:Fe-Li-O-P +mp-26025,Li2FeP2O7,-7.3822162956,-2.5704418843,0.005539757,0.005539757,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Fe-Li-O-P,48.0,AB2C7D2_mC48_15_c_f_e3f_f:Fe-Li-O-P +mp-26789,Li2FeP2O7,-7.3524374221,-2.5406630108,0.0353186306,0.0353186306,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Fe-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_2e10f_f:Fe-Li-O-P, expected Li2Fe(PO11)2 to be Li2FeP2O7" +mp-1101596,Li2FeP2O7,-7.347112619,-2.5353382077,0.0406434337,0.0406434337,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mC96_15_f_2e2f_27f_5f:Fe-Li-O-P, expected Li3FeP5O27 to be Li2FeP2O7" +mp-504122,Li2FeP2O7,-7.349208113099999,-2.5374337018,0.0385479395,0.0385479395,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mC48_12_i_2gh_2i13j_j:Fe-Li-O-P, expected Li3Fe(PO14)2 to be Li2FeP2O7" +mp-1648306,Li2FeP2O7,-7.3541934183,-2.542419007,0.0335626343,0.0335626343,GGA+U,C2/c,AB2C7D2_mC48_15_c_f_e3f_f:Fe-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_a_f_2e11f_f:Fe-Li-O-P, expected Li2Fe(PO12)2 to be Li2FeP2O7" +mp-1575286,Li2FeP2O7,-7.3121896496,-2.5004152383,0.0755664031,0.0755664031,GGA+U,P2_12_12,AB2C7D2_oP24_18_a_c_b3c_c:Fe-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mP24_3_ac_3e_bd10e_3e:Fe-Li-O-P, expected Li3FeP3O11 to be Li2FeP2O7" +mp-755006,Li2FeP2O7,-7.3453630669,-2.5335886556,0.0423929858,0.0423929858,GGA+U,Imma,AB2C7D2_oI48_74_a_f_eij_i:Fe-Li-O-P,48.0,AB2C7D2_oI48_74_a_f_eij_i:Fe-Li-O-P +mp-756604,Li2FeP2O7,-7.3112692169,-2.4994948056,0.0764868358,0.0764868358,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Fe-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_oC48_35_c_2de_abd2e7f_d2e:Fe-Li-O-P, expected Li3Fe(PO6)3 to be Li2FeP2O7" +mp-759417,Li3Fe2(PO3)7,-7.4765466262,-2.4935044595,0.084287246,0.084287246,GGA+U,P-1,A2B3C21D7_aP66_2_2i_3i_21i_7i:Fe-Li-O-P,66.0,"Invalid WP multiplicities - A2B3C21D7_aP66_2_3i_5i_41i_13i:Fe-Li-O-P, expected Li5Fe3P13O41 to be Li3Fe2(PO3)7" +mp-777004,Li9Fe7(PO4)12,-7.35513089,-2.3699842783,0.047215926,0.047215926,GGA+U,P1,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-P,76.0,A7B9C48D12_aP76_1_7a_9a_48a_12a:Fe-Li-O-P +mp-705390,Li3Fe4P9O32,-7.4617038815,-2.3237744073,0.085242732,0.085242732,GGA+U,P-42_1c,A4B3C32D9_tP96_114_e_ad_8e_b2e:Fe-Li-O-P,96.0,"Invalid WP multiplicities - A4B3C32D9_tP96_114_e_2a2d_57e_2b10e:Fe-Li-O-P, expected Li3Fe2(P7O38)3 to be Li3Fe4P9O32" +mp-758136,LiFe(PO3)4,-7.5317960511,-2.4544394601,0.0965810664,0.0879296096,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Fe-Li-O-P, expected LiFeP7O23 to be LiFe(PO3)4" +mp-758737,LiFe(PO3)4,-7.5587771019,-2.4814205109,0.0696000156,0.0609485587,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Fe-Li-O-P, expected LiFeP7O23 to be LiFe(PO3)4" +mp-758724,LiFe(PO3)4,-7.5532712758,-2.4759146848,0.0751058417,0.0664543849,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Fe-Li-O-P, expected LiFeP7O23 to be LiFe(PO3)4" +mp-26811,LiFe(PO3)4,-7.5899706592,-2.5126140681,0.0384064583,0.0297550015,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Fe-Li-O-P, expected LiFeP7O23 to be LiFe(PO3)4" +mp-759033,LiFe(PO3)4,-7.6017265489,-2.5243699579000003,0.0266505686,0.0179991118,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Fe-Li-O-P, expected LiFe(P5O23)2 to be LiFe(PO3)4" +mp-26335,LiFe(PO3)4,-7.6089535069,-2.5315969159,0.0194236106,0.0107721537,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_23a_7a:Fe-Li-O-P, expected LiFeP7O23 to be LiFe(PO3)4" +mp-540356,LiFe(PO3)4,-7.5936192081,-2.516262617,0.0347579094,0.0261064526,GGA+U,C2/m,ABC12D4_mC72_12_e_i_gi5j_2j:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_e_i_2h2i18j_6j:Fe-Li-O-P, expected LiFe(P3O10)4 to be LiFe(PO3)4" +mp-758566,LiFe(PO3)4,-7.5410444299,-2.4636878388,0.0873326876,0.0786812308,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Fe-Li-O-P, expected LiFeP15O47 to be LiFe(PO3)4" +mp-758883,LiFe(PO3)4,-7.5589830581,-2.481626467,0.0693940594,0.0607426026,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Fe-Li-O-P, expected LiFeP13O45 to be LiFe(PO3)4" +mp-758790,LiFe(PO3)4,-7.5562337257,-2.4788771347000003,0.0721433918,0.063491935,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_43e_11e:Fe-Li-O-P, expected LiFeP11O43 to be LiFe(PO3)4" +mp-759362,LiFe(PO3)4,-7.5610127858,-2.4836561948,0.0673643317,0.0587128749,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Fe-Li-O-P, expected LiFeP15O47 to be LiFe(PO3)4" +mp-758534,LiFe(PO3)4,-7.5303900292,-2.4530334381,0.0979870883,0.0893356315,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Fe-Li-O-P, expected LiFeP13O45 to be LiFe(PO3)4" +mp-758529,LiFe(PO3)4,-7.5528655186,-2.4755089276,0.0755115989,0.0668601421,GGA+U,C2/c,ABC12D4_mC72_15_e_a_6f_2f:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Fe-Li-O-P, expected LiFe(P5O23)2 to be LiFe(PO3)4" +mp-25963,LiFe(PO3)4,-7.5913635978,-2.5140070068,0.0370135197,0.0283620629,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_4f:Fe-Li-O-P, expected LiFe(P4O21)2 to be LiFe(PO3)4" +mp-758777,LiFe(PO3)4,-7.5473506267,-2.4699940356,0.0810264908,0.072375034,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Fe-Li-O-P, expected LiFe(P5O21)2 to be LiFe(PO3)4" +mp-26269,LiFe(PO3)4,-7.6079185697,-2.5305619787,0.0204585478,0.011807091,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_23f_4f:Fe-Li-O-P, expected LiFe(P4O23)2 to be LiFe(PO3)4" +mp-25961,LiFe(PO3)4,-7.5836617286,-2.5063051376,0.0447153889,0.0360639321,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_4f:Fe-Li-O-P, expected LiFe(P4O21)2 to be LiFe(PO3)4" +mp-26126,LiFe(PO3)4,-7.5879520411,-2.5105954501000003,0.0404250764,0.0317736196,GGA+U,P2_12_12_1,ABC12D4_oP72_19_a_a_12a_4a:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_19_a_a_44a_14a:Fe-Li-O-P, expected LiFe(P7O22)2 to be LiFe(PO3)4" +mp-758801,LiFe(PO3)4,-7.5558711632,-2.4785145722,0.0725059543,0.0638544975,GGA+U,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_23c_2ab6c:Fe-Li-O-P, expected Li2Fe2P15O46 to be LiFe(PO3)4" +mp-759046,LiFe(PO3)4,-7.5425411425,-2.4651845515,0.085835975,0.0771845182,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_21d_5d:Fe-Li-O-P, expected LiFe(P5O21)2 to be LiFe(PO3)4" +mp-25977,LiFe(PO3)4,-7.6283771175,-2.5510205265,0.0,-0.0086514568,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_23d_6d:Fe-Li-O-P, expected LiFe(P6O23)2 to be LiFe(PO3)4" +mp-758847,Li3Fe(PO4)2,-7.1078221384,-2.4937575303,0.0845201668,0.0845201668,GGA+U,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:Fe-Li-O-P,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:Fe-Li-O-P +mp-26056,Li3Fe(PO4)2,-7.16359811,-2.5495335019,0.0287441952,0.0287441952,GGA+U,P2_1,AB3C8D2_mP56_4_2a_6a_16a_4a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_4_2a_10a_30a_7a:Fe-Li-O-P, expected Li10Fe2P7O30 to be Li3Fe(PO4)2" +mp-758186,Li3Fe(PO4)2,-7.1623750046,-2.5483103965,0.0299673005,0.0299673005,GGA+U,Pc,AB3C8D2_mP56_7_2a_6a_16a_4a:Fe-Li-O-P,56.0,AB3C8D2_mP56_7_4a_12a_32a_8a:Fe-Li-O-P +mp-759639,Li3Fe(PO4)2,-7.1571571977,-2.5430925896,0.0351851075,0.0351851075,GGA+U,Pc,AB3C8D2_mP56_7_2a_6a_16a_4a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_7_2a_12a_32a_8a:Fe-Li-O-P, expected Li6Fe(PO4)4 to be Li3Fe(PO4)2" +mp-757451,Li3Fe(PO4)2,-7.1088831871,-2.494818579,0.083459118,0.083459118,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Fe-Li-O-P,56.0,AB3C8D2_mP28_11_e_3e_4e2f_2e:Fe-Li-O-P +mp-760008,Li3Fe(PO4)2,-7.171689887,-2.5576252789,0.0206524182,0.0206524182,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_a2e_4e2f_2e:Fe-Li-O-P,56.0,AB3C8D2_mP28_11_e_a2e_4e2f_2e:Fe-Li-O-P +mp-773399,Li3Fe(PO4)2,-7.1767090457,-2.5626444376,0.0156332595,0.0156332595,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_ade_4e2f_2e:Fe-Li-O-P,28.0,AB3C8D2_mP28_11_e_abe_4e2f_2e:Fe-Li-O-P +mp-26575,Li3Fe(PO4)2,-7.1617005414,-2.5476359333,0.0306417637,0.0306417637,GGA+U,C2/m,AB3C8D2_mC28_12_a_ci_2ij_i:Fe-Li-O-P,14.0,"Invalid WP multiplicities - AB3C8D2_mC28_12_a_di_3ij_i:Fe-Li-O-P, expected Li3Fe(PO5)2 to be Li3Fe(PO4)2" +mp-757579,Li3Fe(PO4)2,-7.1000705702,-2.4860059621,0.092271735,0.092271735,GGA+U,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_5e_19e_3e:Fe-Li-O-P, expected Li5FeP3O19 to be Li3Fe(PO4)2" +mp-757240,Li3Fe(PO4)2,-7.127739889,-2.5136752809000003,0.0646024162,0.0646024162,GGA+U,P2_1/c,AB3C8D2_mP112_14_2e_6e_16e_4e:Fe-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_mP112_14_5e_21e_61e_13e:Fe-Li-O-P, expected Li21Fe5P13O61 to be Li3Fe(PO4)2" +mp-757649,Li3Fe(PO4)2,-7.0972865984,-2.4832219903,0.0950557068,0.0950557068,GGA+U,P2_1/c,AB3C8D2_mP112_14_2e_6e_16e_4e:Fe-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_mP112_14_3e_23e_63e_13e:Fe-Li-O-P, expected Li23Fe3P13O63 to be Li3Fe(PO4)2" +mp-26773,Li3Fe(PO4)2,-7.1568803171,-2.542815709,0.035461988,0.035461988,GGA+U,P2_1/c,AB3C8D2_mP28_14_a_de_4e_e:Fe-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_14_a_2d2e_13e_e:Fe-Li-O-P, expected Li6Fe(PO13)2 to be Li3Fe(PO4)2" +mp-26805,Li3Fe(PO4)2,-7.1582208736,-2.5441562655,0.0341214316,0.0341214316,GGA+U,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_7e_27e_6e:Fe-Li-O-P, expected Li7Fe(P2O9)3 to be Li3Fe(PO4)2" +mp-772427,Li3Fe(PO4)2,-7.1612731255,-2.5472085174,0.0310691796,0.0310691796,GGA+U,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:Fe-Li-O-P,56.0,AB3C8D2_mC56_15_c_ef_4f_f:Fe-Li-O-P +mp-757629,Li3Fe(PO4)2,-7.1063512316,-2.4922866235,0.0859910736,0.0859910736,GGA+U,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Fe-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_oP112_29_3a_11a_31a_7a:Fe-Li-O-P, expected Li11Fe3P7O31 to be Li3Fe(PO4)2" +mp-758982,Li3Fe(PO4)2,-7.1251728345,-2.5111082264,0.0671694707,0.0671694707,GGA+U,R3,AB3C8D2_hR126_146_3a_3a2b_8b_2b:Fe-Li-O-P,42.0,"Invalid WP multiplicities - AB3C8D2_hR126_146_3a_3a4b_24b_4b:Fe-Li-O-P, expected Li5Fe(PO6)4 to be Li3Fe(PO4)2" +mp-859109,Li3Fe(PO4)2,-7.1277040576,-2.5136394495000003,0.0646382476,0.0646382476,GGA+U,P-3,AB3C8D2_hP42_147_ad_bdg_4g_g:Fe-Li-O-P,42.0,"Invalid WP multiplicities - AB3C8D2_hP42_147_ad_b2d3g_17g_g:Fe-Li-O-P, expected Li23Fe3(PO17)6 to be Li3Fe(PO4)2" +mp-771125,Li5Fe5(PO4)6,-7.4908130705,-2.4134364582,0.0591575645,0.0591575645,GGA+U,P1,A5B5C24D6_aP40_1_5a_5a_24a_6a:Fe-Li-O-P,40.0,A5B5C24D6_aP40_1_5a_5a_24a_6a:Fe-Li-O-P +mp-1176795,Li9Fe4(PO5)4,-7.0503437476,-2.4112255073,0.0805228424,0.0805228424,GGA+U,P1,A4B9C20D4_aP37_1_4a_9a_20a_4a:Fe-Li-O-P,37.0,A4B9C20D4_aP37_1_4a_9a_20a_4a:Fe-Li-O-P +mp-772138,LiFePO4,-7.5129603979,-2.4302459081,0.0506872771,0.040914294,GGA+U,P1,ABC4D_aP14_1_2a_2a_8a_2a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP14_1_4a_2a_8a_2a:Fe-Li-O-P, expected LiFe2PO4 to be LiFePO4" +mp-1661648,LiFePO4,-7.4978956189,-2.4151811292,0.0657520561,0.055979073,GGA+U,P1,ABC4D_aP28_1_4a_4a_16a_4a:Fe-Li-O-P,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Fe-Li-O-P +mp-774251,LiFePO4,-7.5181240625,-2.4354095727,0.0455236125,0.0357506294,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Fe-Li-O-P,28.0,ABC4D_aP14_2_i_i_4i_i:Fe-Li-O-P +mp-757455,LiFePO4,-7.506783175,-2.4240686852,0.0568645,0.0470915169,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_4i_2i_8i_2i:Fe-Li-O-P, expected LiFe2PO4 to be LiFePO4" +mp-758909,LiFePO4,-7.4784645207,-2.395750031,0.0851831543,0.0754101712,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-797419,LiFePO4,-5.4557902182,-0.3730757285,2.1078574568,2.0980844737,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-765605,LiFePO4,-7.5069870339,-2.4242725442,0.0566606411,0.046887658,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_4i_2i_8i_2i:Fe-Li-O-P, expected LiFe2PO4 to be LiFePO4" +mp-758921,LiFePO4,-7.5226612243,-2.4399467345,0.0409864507,0.0312134676,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-1104261,LiFePO4,-7.460702975,-2.3779884852,0.1029447,0.0931717169,GGA+U,P-1,ABC4D_aP14_2_ab_i_4i_i:Fe-Li-O-P,14.0,ABC4D_aP14_2_ab_i_4i_i:Fe-Li-O-P +mp-1372870,LiFePO4,-6.3280600296,-1.2453455399,1.2355876454,1.2258146623,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-1662030,LiFePO4,-7.5226075639,-2.4398930742,0.0410401111,0.031267128,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Fe-Li-O-P +mp-759092,LiFePO4,-7.4507840423,-2.3680695525,0.1128636327,0.1030906496,GGA+U,P2,ABC4D_mP84_3_6e_2a3b2c5d_24e_6e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_3_12e_2a3b2c5d_47e_11e:Fe-Li-O-P, expected Li6Fe12P11O47 to be LiFePO4" +mp-1176699,LiFePO4,-7.4813555546,-2.3986410649,0.0822921204,0.0725191373,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-753407,LiFePO4,-7.469694255,-2.3869797652,0.09395342,0.0841804369,GGA+U,C2,ABC4D_mC28_5_ab_c_4c_c:Fe-Li-O-P,28.0,ABC4D_mC28_5_ab_c_4c_c:Fe-Li-O-P +mp-756958,LiFePO4,-7.5554281757,-2.472713686,0.0082194993,-0.0015534838,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_4a_2a_8a_2a:Fe-Li-O-P, expected LiFe2PO4 to be LiFePO4" +mp-765627,LiFePO4,-7.512186905,-2.4294724152,0.05146077,0.0416877869,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Fe-Li-O-P +mp-26559,LiFePO4,-7.5248965604,-2.4421820706,0.0387511146,0.0289781315,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_4a_2a_8a_2a:Fe-Li-O-P, expected LiFe2PO4 to be LiFePO4" +mp-772069,LiFePO4,-7.4690669914,-2.3863525017,0.0945806836,0.0848077005,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Fe-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Fe-Li-O-P, expected LiFePO8 to be LiFePO4" +mp-772210,LiFePO4,-7.54875622,-2.4660417302,0.014891455,0.0051184719,GGA+U,Cc,ABC4D_mC28_9_2a_2a_8a_2a:Fe-Li-O-P,28.0,ABC4D_mC28_9_a_a_4a_a:Fe-Li-O-P +mp-585319,LiFePO4,-6.7690797129,-1.6863652232000002,0.7945679621,0.7847949790000001,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Fe-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_15a_15a_63a_15a:Fe-Li-O-P, expected Li5Fe5P5O21 to be LiFePO4" +mp-694615,LiFePO4,-7.0078685242,-1.9251540344,0.5557791508000001,0.5460061677,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Fe-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_14a_15a_63a_16a:Fe-Li-O-P, expected Li15Fe14P16O63 to be LiFePO4" +mp-1301965,LiFePO4,-7.5023108904,-2.4195964006,0.0613367846,0.0515638015,GGA+U,Cc,ABC4D_mC28_9_2a_2a_8a_2a:Fe-Li-O-P,28.0,ABC4D_mC28_9_a_a_4a_a:Fe-Li-O-P +mp-757255,LiFePO4,-7.5027307975,-2.4200163077,0.0609168775,0.0511438944,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-P +mp-765635,LiFePO4,-7.4955923286,-2.4128778388,0.0680553464,0.0582823633,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Fe-Li-O-P, expected Li3Fe3P3O31 to be LiFePO4" +mp-765634,LiFePO4,-7.4789544009,-2.3962399111,0.0846932741,0.074920291,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Fe-Li-O-P, expected Li3Fe3P3O31 to be LiFePO4" +mp-765641,LiFePO4,-7.4892719687,-2.406557479,0.0743757062,0.0646027232,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Fe-Li-O-P, expected Li3Fe3P3O23 to be LiFePO4" +mp-504184,LiFePO4,-7.5519177029,-2.4692032131,0.0117299721,0.001956989,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Fe-Li-O-P +mp-772906,LiFePO4,-7.5039148286,-2.4212003388,0.0597328464,0.0499598633,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-772286,LiFePO4,-7.4941390571,-2.4114245674,0.0695086179,0.0597356348,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-772406,LiFePO4,-7.505618086,-2.4229035962,0.058029589,0.048256606,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-772409,LiFePO4,-7.4865034405,-2.4037889507,0.0771442345,0.0673712514,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Fe-Li-O-P, expected Li9Fe9P9O47 to be LiFePO4" +mp-757653,LiFePO4,-7.4650360972,-2.3823216075,0.0986115778,0.0888385947,GGA+U,P2_1/c,ABC4D_mP112_14_4e_4e_16e_4e:Fe-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mP112_14_13e_13e_61e_13e:Fe-Li-O-P, expected Li13Fe13P13O61 to be LiFePO4" +mp-704251,LiFePO4,-7.5106009506,-2.4278864608,0.0530467244,0.0432737413,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_10e_6e_47e_8e:Fe-Li-O-P, expected Li6Fe10P8O47 to be LiFePO4" +mp-1176703,LiFePO4,-7.4928383864,-2.4101238967,0.0708092886,0.0610363055,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Fe-Li-O-P, expected Li3Fe3P3O23 to be LiFePO4" +mp-757182,LiFePO4,-7.4730334311,-2.3903189413,0.0906142439,0.0808412608,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Fe-Li-O-P,28.0,ABC4D_mC56_15_f_f_4f_f:Fe-Li-O-P +mp-765590,LiFePO4,-7.4878319146,-2.4051174249,0.0758157604,0.0660427773,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-1661570,LiFePO4,-7.5348942607,-2.452179771,0.0287534143,0.0189804312,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_19_a_a_4a_a:Fe-Li-O-P +mp-757097,LiFePO4,-7.5497243021,-2.4670098124,0.0139233729,0.0041503898,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Fe-Li-O-P, expected Li5Fe5P5O29 to be LiFePO4" +mp-765594,LiFePO4,-7.5522219191,-2.4695074293,0.0114257559,0.0016527728,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Fe-Li-O-P, expected Li5Fe5P5O29 to be LiFePO4" +mp-757406,LiFePO4,-7.5181611221,-2.4354466324,0.0454865529,0.0357135698,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P +mp-757465,LiFePO4,-7.4679792775,-2.3852647877,0.0956683975,0.0858954144,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P +mp-757027,LiFePO4,-7.5477209871,-2.4650064974,0.0159266879,0.0061537048,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-758459,LiFePO4,-7.480648725,-2.3979342352,0.08299895,0.0732259669,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P +mp-765638,LiFePO4,-7.4794278662,-2.3967133765,0.0842198087,0.0744468257,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Fe-Li-O-P, expected Li5Fe5P5O29 to be LiFePO4" +mp-765591,LiFePO4,-7.5034568429,-2.4207423531,0.0601908321,0.050417849,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P +mp-705312,LiFePO4,-7.5472197652,-2.4645052755,0.0164279098,0.0066549267,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_aP14_1_11a_6a_41a_10a:Fe-Li-O-P, expected Li6Fe11P10O41 to be LiFePO4" +mp-26041,LiFePO4,-7.5531224957,-2.470408006,0.0105251793,0.0007521962,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P +mp-26791,LiFePO4,-7.5179997729,-2.4352852831,0.0456479021,0.035874919,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-758222,LiFePO4,-7.5048640971,-2.4221496074,0.0587835779,0.0490105948,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_9a_45a_9a:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-758926,LiFePO4,-7.4991009236,-2.4163864338,0.0645467514,0.0547737683,GGA+U,Fdd2,ABC4D_oF56_43_a_a_2b_a:Fe-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_oF56_43_a_a_6b_a:Fe-Li-O-P, expected LiFePO12 to be LiFePO4" +mp-757227,LiFePO4,-7.4793421061,-2.3966276163,0.0843055689,0.0745325858,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-765604,LiFePO4,-7.50634252,-2.4236280302,0.057305155,0.0475321719,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Fe-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-757019,LiFePO4,-7.5077599082,-2.4250454185,0.0558877668,0.0461147837,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Fe-Li-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Fe-Li-O-P +mp-831160,LiFePO4,-7.5333910796,-2.4506765899,0.0302565954,0.0204836123,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_6c3d_c:Fe-Li-O-P, expected LiFePO12 to be LiFePO4" +mp-19017,LiFePO4,-7.563647675,-2.4809331852,0.0,-0.0097729831,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Li-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Fe-Li-O-P +mp-1176761,LiFePO4,-7.4953040289,-2.4125895392,0.0683436461,0.058570663,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c4d_c:Fe-Li-O-P, expected LiFePO13 to be LiFePO4" +mp-753321,LiFePO4,-7.4894160943,-2.4067016045000003,0.0742315807,0.0644585976,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Fe-Li-O-P,28.0,ABC4D_oC28_63_c_a_fg_c:Fe-Li-O-P +mp-18951,LiFePO4,-7.547769115699999,-2.465054626,0.0158785593,0.0061055762,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-P,28.0,ABC4D_oC28_63_a_c_fg_c:Fe-Li-O-P +mp-772093,LiFePO4,-7.4721040382,-2.3893895485,0.0915436368,0.0817706537,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-P,28.0,ABC4D_oI28_74_a_c_hi_e:Fe-Li-O-P +mp-761486,LiFePO4,-7.5399254307,-2.457210941,0.0237222443,0.0139492612,GGA+U,I-4,ABC4D_tI14_82_a_b_g_c:Fe-Li-O-P,28.0,ABC4D_tI14_82_a_b_g_c:Fe-Li-O-P +mp-754357,LiFePO4,-7.4796952679,-2.3969807781,0.0839524071,0.074179424,GGA+U,I-4,ABC4D_tI14_82_c_a_g_b:Fe-Li-O-P,14.0,ABC4D_tI14_82_c_a_g_b:Fe-Li-O-P +mp-765593,LiFePO4,-7.4756680946,-2.3929536049,0.0879795804,0.0782065973,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Fe-Li-O-P,28.0,ABC4D_tP28_95_a_b_2d_c:Fe-Li-O-P +mp-585400,LiFePO4,-7.5529527438,-2.470238254,0.0106949312,0.0009219481,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Fe-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_6b_5b_21b_5b:Fe-Li-O-P, expected Li5Fe6P5O21 to be LiFePO4" +mp-765651,LiFePO4,-7.4764831838,-2.3937686940000003,0.0871644912,0.0773915081,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Fe-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b16c_a4b:Fe-Li-O-P, expected Li3Fe3P5O53 to be LiFePO4" +mp-26611,LiFePO4,-7.5079467305,-2.4252322407,0.0557009445,0.0459279614,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Fe-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_2a3b15c_2a4b:Fe-Li-O-P, expected Li3Fe3(P3O25)2 to be LiFePO4" +mp-758598,LiFePO4,-7.4839885742,-2.4012740844,0.0796591008,0.0698861177,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Fe-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Fe-Li-O-P, expected LiFePO5 to be LiFePO4" +mp-758000,LiFePO4,-7.3890979964,-2.3063835066,0.1745496786,0.1647766955,GGA+U,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Fe-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_17a_21a_89a_17a:Fe-Li-O-P, expected Li21Fe17P17O89 to be LiFePO4" +mp-757754,LiFePO4,-7.4968498174,-2.4141353276,0.0667978576,0.0570248745,GGA+U,P6_222,ABC4D_hP21_180_d_a_k_c:Fe-Li-O-P,42.0,ABC4D_hP21_180_d_a_k_c:Fe-Li-O-P +mp-772146,LiFePO4,-7.4946542332,-2.4119397435,0.0689934418,0.0592204587,GGA+U,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Fe-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_3g2i_a3d4f_37k_6h5j:Fe-Li-O-P, expected Li6Fe5P11O74 to be LiFePO4" +mp-765588,LiFePO4,-7.4725244221,-2.3898099324,0.0911232529,0.0813502698,GGA+U,P2_13,ABC4D_cP28_198_a_a_ab_a:Fe-Li-O-P,28.0,ABC4D_cP28_198_a_a_ab_a:Fe-Li-O-P +mp-2240276,KMgRuO3,-5.67411435,-1.2032564049,0.8184992427000001,0.8184992427000001,GGA,P4/mmm,ABC3D_tP6_123_a_b_ce_d:K-Mg-O-Ru,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_a_b_c2e_d:K-Mg-O-Ru, expected KMgRuO5 to be KMgRuO3" +mp-1040385,KNaMg30O31,-6.1211416349,-2.8864007494,0.086571886,0.086571886,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:K-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2a2bc2d2e2f4g4h2i:K-Mg-Na-O, expected KNaMg38O39 to be KNaMg30O31" +mp-1040283,KNaMg30O31,-6.1137908397,-2.8790499541,0.0939226813,0.0939226813,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_2ab2c2d2e2f2g2h2i:K-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_2ab2c2d4e4f2g2h2i:K-Mg-Na-O, expected KNaMg38O39 to be KNaMg30O31" +mp-1040290,KNaMg30O31,-6.1258501963,-2.8911093108,0.0818633246,0.0818633246,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_a2b2c2d2e2f2g2h2i:K-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_a2b2c2d4e4f2g2h2i:K-Mg-Na-O, expected KNaMg38O39 to be KNaMg30O31" +mp-1040313,KNaMg30O31,-6.1320185644,-2.8972776789,0.0756949565,0.0756949565,GGA,P4mm,AB30CD31_tP63_99_a_ab2c2d2e2f_b_a2b2c2d2e2f:K-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_tP63_99_a_ab2c2d6e6f_b_a2b2c2d6e6f:K-Mg-Na-O, expected KNaMg62O63 to be KNaMg30O31" +mp-17902,K3Na(RuO4)2,-6.1978326425,-1.7138300065,0.0,-0.0037515044,GGA,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:K-Na-O-Ru,28.0,"Invalid WP multiplicities - A3BC8D2_mC56_15_e2f_c_4f_f:K-Na-O-Ru, expected K5Na(RuO4)2 to be K3Na(RuO4)2" +mp-12047,K3Na(RuO4)2,-6.1918968286,-1.7078941925,0.0059358139,0.0021843095,GGA,P-3m1,A3BC8D2_hP14_164_ad_b_di_d:K-Na-O-Ru,14.0,"Invalid WP multiplicities - A3BC8D2_hP14_164_a2d_b_di_d:K-Na-O-Ru, expected K5Na(RuO4)2 to be K3Na(RuO4)2" +mp-2232662,K3NaMg(RuO4)2,-6.0046627013,-1.7129082377,0.1432059505,0.1432059505,GGA,C2,A3BCD8E2_mC30_5_ac_a_b_4c_c:K-Mg-Na-O-Ru,15.0,"Invalid WP multiplicities - A3BCD8E2_mC30_5_a2c_a_b_7c_c:K-Mg-Na-O-Ru, expected K5NaMg(RuO7)2 to be K3NaMg(RuO4)2" +mp-2226902,K3NaMg(RuO4)2,-6.0057361913,-1.7139817277,0.1421324605,0.1421324605,GGA,C2/m,A3BCD8E2_mC30_12_ci_b_a_2ij_i:K-Mg-Na-O-Ru,15.0,"Invalid WP multiplicities - A3BCD8E2_mC30_12_c2i_a_b_3i3j_i:K-Mg-Na-O-Ru, expected K5NaMg(RuO9)2 to be K3NaMg(RuO4)2" +mp-1031292,KNaMg6O7,-5.35410302,-2.2433413187,0.4702147919,0.4702147919,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_a2b2c:K-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_a2b4c:K-Mg-Na-O, expected KNaMg10O11 to be KNaMg6O7" +mp-1031296,KNaMg6O7,-5.4112614820000005,-2.3004997807,0.4130563299,0.4130563299,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_a2b2c:K-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_a2b4c:K-Mg-Na-O, expected KNaMg10O11 to be KNaMg6O7" +mp-1031421,KNaMg6O7,-5.3505052107,-2.2397435094,0.4738126012,0.4738126012,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_2ab2c:K-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_2ab4c:K-Mg-Na-O, expected KNaMg10O11 to be KNaMg6O7" +mp-1031453,KNaMg6O7,-5.3905960307,-2.2798343294,0.4337217812,0.4337217812,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_2ab2c:K-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_2ab4c:K-Mg-Na-O, expected KNaMg10O11 to be KNaMg6O7" +mp-1033946,KNaMg14O15,-5.8910922406,-2.6963446403,0.1929452451,0.1929452451,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:K-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:K-Mg-Na-O +mp-1033973,KNaMg14O15,-5.8752531906000005,-2.6805055903,0.2087842951,0.2087842951,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:K-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:K-Mg-Na-O +mp-1033980,KNaMg14O15,-5.8568804319000005,-2.6621328316,0.2271570538,0.2271570538,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:K-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:K-Mg-Na-O +mp-1034015,KNaMg14O15,-5.9039852903,-2.70923769,0.1800521954,0.1800521954,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:K-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:K-Mg-Na-O +mp-1521724,KSrPrSbO6,-6.7081661685,-2.5691730022,0.0426677251,0.0426677251,GGA,Pnnn,AB6CDE_oP40_48_ab_3m_e_f_cd:K-O-Pr-Sb-Sr,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_2a2b_6m_e_f_cd:K-O-Pr-Sb-Sr, expected K2SrPrSbO12 to be KSrPrSbO6" +mp-1521788,KSrPrSbO6,-6.690681669,-2.5516885027,0.0601522246,0.0601522246,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:K-O-Pr-Sb-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:K-O-Pr-Sb-Sr +mp-1048488,YCr3Se2ClO8,-7.641467967,-2.0521691118,0.1791797664,0.1791797664,GGA+U,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Cr-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Cr-O-Se-Y, expected YCr5Se2ClO22 to be YCr3Se2ClO8" +mp-1048591,Cr3Se2ClO8,-7.1092681704,-1.5826244764,0.1932488147,0.1932488147,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_ace_4e2f_2e:Cl-Cr-O-Se,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_11_e_2a2ce_7e7f_2e:Cl-Cr-O-Se, expected Cr5Se2ClO21 to be Cr3Se2ClO8" +mp-861145,Sm27Y5O48,-8.8437819027,-3.8790914109,0.0006506217,0.0006506217,GGA,P-1,A48B27C5_aP80_2_24i_abe12i_h2i:O-Sm-Y,80.0,"Invalid WP multiplicities - A48B27C5_aP80_2_48i_abe22i_h4i:O-Sm-Y, expected Sm47Y9O96 to be Sm27Y5O48" +mp-978515,SmYAl2,-5.0637797325,-0.3947275054,0.0191235293,0.0191235293,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Sm-Y,4.0,A2BC_cF16_225_c_a_b:Al-Sm-Y +mp-754502,SmYO2,-8.46482562,-3.1952169523,0.0918176736,0.0918176736,GGA,R-3m,A2BC_hR12_166_c_a_b:O-Sm-Y,4.0,A2BC_hR12_166_c_a_b:O-Sm-Y +mp-757791,SmY15O24,-9.4741599885,-3.9632554409,0.0016175372,0.0016175372,GGA,C2,A24BC15_mC80_5_12c_a_a2b6c:O-Sm-Y,40.0,"Invalid WP multiplicities - A24BC15_mC80_5_24c_a_a2b9c:O-Sm-Y, expected SmY21O48 to be SmY15O24" +mp-861109,SmY3O6,-9.3183203585,-3.9385071843,0.0059343669,0.0059343669,GGA,P1,A6BC3_aP40_1_24a_4a_12a:O-Sm-Y,40.0,A6BC3_aP40_1_24a_4a_12a:O-Sm-Y +mp-765639,Sm11Y5O24,-8.9657121045,-3.8917788015,0.0049894202,0.0049894202,GGA,P1,A24B11C5_aP40_1_24a_11a_5a:O-Sm-Y,40.0,A24B11C5_aP40_1_24a_11a_5a:O-Sm-Y +mp-860969,Sm3Y5O12,-9.2158906213,-3.9234716959,0.0073489039,0.0073489039,GGA,I2_12_12_1,A12B3C5_oI80_24_6d_ad_a2b2c:O-Sm-Y,40.0,"Invalid WP multiplicities - A12B3C5_oI80_24_18d_ad_2a2b4c:O-Sm-Y, expected Sm3Y8O36 to be Sm3Y5O12" +mp-755685,SmYO3,-9.058397775,-3.8533730986,0.06382655,0.06382655,GGA,Pna2_1,A3BC_oP20_33_3a_a_a:O-Sm-Y,20.0,"Invalid WP multiplicities - A3BC_oP20_33_9a_a_a:O-Sm-Y, expected SmYO9 to be SmYO3" +mp-1638691,CaLaFeWO6,-8.5939165555,-2.7889274863,0.0344835052,0.0344835052,GGA+U,P1,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Fe-La-O-W,20.0,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Fe-La-O-W +mp-1044027,CaLaFeWO6,-8.5937863895,-2.7887973203,0.0346136712,0.0346136712,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Fe-La-O-W,20.0,ABCD6E_aP20_1_2a_2a_2a_12a_2a:Ca-Fe-La-O-W +mp-1275790,Ca3Fe2(WO6)2,-8.2103504,-2.5138573971,0.0382814732,0.0382814732,GGA+U,Pm,A3B2C12D2_mP19_6_2ab_ab_2a2b4c_ab:Ca-Fe-O-W,19.0,A3B2C12D2_mP19_6_2ab_ab_2a2b4c_ab:Ca-Fe-O-W +mp-1301722,Ca3Fe2(WO6)2,-8.1595112563,-2.4630182534,0.0891206168,0.0891206168,GGA+U,R3m,A3B2C12D2_hR57_160_3a_2a_4b_2a:Ca-Fe-O-W,19.0,A3B2C12D2_hR57_160_3a_2a_4b_2a:Ca-Fe-O-W +mp-1275487,Ca2FeWO6,-8.185221352,-2.6732730053,0.0,-0.016386893,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ca-Fe-O-W,20.0,A2BC6D_mP20_14_e_a_3e_b:Ca-Fe-O-W +mp-623098,Ca2FeWO6,-8.0138407805,-2.5018924337,0.1713805715,0.1549936785,GGA+U,Pmm2,A2BC6D_oP20_25_ef_ad_ef2g2h_bc:Ca-Fe-O-W,20.0,"Invalid WP multiplicities - A2BC6D_oP20_25_2e2f_ad_2e2f3g4h_bc:Ca-Fe-O-W, expected Ca4FeWO11 to be Ca2FeWO6" +mp-19864,Ca2FeWO6,-8.059492791,-2.5475444442,0.125728561,0.109341668,GGA+U,Imm2,A2BC6D_oI20_44_c_a_c2d_b:Ca-Fe-O-W,10.0,A2BC6D_oI20_44_c_a_c2d_b:Ca-Fe-O-W +mp-1048318,Ca2FeWO6,-8.1628766805,-2.6509283337,0.0223446715,0.0059577785,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Ca-Fe-O-W,20.0,A2BC6D_aP20_1_4a_2a_12a_2a:Ca-Fe-O-W +mp-619611,Ca2FeWO6,-7.99825629,-2.4863079432,0.186965062,0.170578169,GGA+U,R-3m,A2BC6D_hR30_166_c_a_h_b:Ca-Fe-O-W,10.0,A2BC6D_hR30_166_c_a_h_b:Ca-Fe-O-W +mp-19059,Ca2FeWO6,-7.999172481,-2.4872241343,0.186048871,0.169661978,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ca-Fe-O-W +mp-1391360,CaFeWO6,-8.0439476944,-2.1424050736,0.1499391667,0.1499391667,GGA+U,Cm,ABC6D_mC18_8_a_a_2a2b_a:Ca-Fe-O-W,9.0,ABC6D_mC18_8_a_a_2a2b_a:Ca-Fe-O-W +mp-1385922,CaFeWO6,-8.0433951867,-2.1418525658,0.1504916745,0.1504916745,GGA+U,F-43m,ABC6D_cF36_216_c_a_f_b:Ca-Fe-O-W,9.0,ABC6D_cF36_216_c_a_f_b:Ca-Fe-O-W +mp-1043059,Ca3Fe4(WO4)6,-8.6003371195,-2.2120615808,0.1022774651,0.1022774651,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Ca-Fe-O-W,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_ai_2i_13i_5i:Ca-Fe-O-W, expected Ca3Fe4(W5O13)2 to be Ca3Fe4(WO4)6" +mp-1227452,Ca8Fe5(WO8)3,-7.9942454447,-2.5944998235,0.041699398,0.041699398,GGA+U,P-1,A8B5C24D3_aP40_2_4i_acdi_12i_ei:Ca-Fe-O-W,40.0,"Invalid WP multiplicities - A8B5C24D3_aP40_2_8i_acdi_24i_ei:Ca-Fe-O-W, expected Ca16Fe5(WO16)3 to be Ca8Fe5(WO8)3" +mp-1043919,LaFeWO6,-8.7606366978,-2.5334932742,0.0799524331,0.0799524331,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-W,18.0,ABC6D_mP18_7_a_a_6a_a:Fe-La-O-W +mp-1523032,Eu2ZrVO6,-10.00717876,-3.2246045033,0.0828057005,0.0828057005,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-Zr +mp-1521428,Sr2EuVO6,-8.142977396,-2.9029746916,0.1635882819,0.1635882819,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Eu-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Eu-O-Sr-V +mp-1519238,SrEuZrVO6,-9.153363822,-3.2275403999,0.087786227,0.087786227,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-V-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-V-Zr +mp-554206,Cs2Al2As2O7,-6.5995470754,-2.5051613682,0.0,-0.0602901022,GGA,Imm2,A2B2C2D7_oI26_44_c_c_ab_ace:Al-As-Cs-O,13.0,"Invalid WP multiplicities - A2B2C2D7_oI26_44_c_c_ab_a2c2e:Al-As-Cs-O, expected Cs2Al2As2O13 to be Cs2Al2As2O7" +mp-625318,Al(HO)3,-6.14548843,-2.036371273,0.0254814111,0.0254814111,GGA,P1,AB3C3_aP14_1_2a_6a_6a:Al-H-O,14.0,AB3C3_aP14_1_2a_6a_6a:Al-H-O +mp-625762,Al(HO)3,-6.1243948016,-2.0152776446,0.0465750395,0.0465750395,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-625774,Al(HO)3,-6.1327349329,-2.0236177759,0.0382349082,0.0382349082,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-625807,Al(HO)3,-6.1139846846,-2.0048675277,0.0569851564,0.0569851564,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626094,Al(HO)3,-6.1284269757,-2.0193098188,0.0425428654,0.0425428654,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626103,Al(HO)3,-6.1400692996,-2.0309521427,0.0309005414,0.0309005414,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626435,Al(HO)3,-6.1499757468,-2.0408585898,0.0209940943,0.0209940943,GGA,P1,AB3C3_aP28_1_4a_12a_12a:Al-H-O,28.0,AB3C3_aP28_2_2i_6i_6i:Al-H-O +mp-626431,Al(HO)3,-6.1405491329,-2.0314319759,0.0304207082,0.0304207082,GGA,P1,AB3C3_aP28_1_4a_12a_12a:Al-H-O,28.0,AB3C3_aP28_1_4a_12a_12a:Al-H-O +mp-626481,Al(HO)3,-6.1019821827,-1.9928650257,0.0689876584,0.0689876584,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-673570,Al(HO)3,-3.6003306595,0.5087864975,2.5706391816,2.5706391816,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626496,Al(HO)3,-6.1471856177,-2.0380684607,0.0237842234,0.0237842234,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626500,Al(HO)3,-6.117180615,-2.008063458,0.0537892261,0.0537892261,GGA,P1,AB3C3_aP14_1_2a_6a_6a:Al-H-O,14.0,AB3C3_aP14_1_2a_6a_6a:Al-H-O +mp-626502,Al(HO)3,-6.1459920709,-2.0368749139,0.0249777702,0.0249777702,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626504,Al(HO)3,-6.130332025,-2.021214868,0.0406378161,0.0406378161,GGA,P1,AB3C3_aP14_1_2a_6a_6a:Al-H-O,14.0,AB3C3_aP14_1_2a_6a_6a:Al-H-O +mp-626568,Al(HO)3,-6.1105038064,-2.0013866495,0.0604660346,0.0604660346,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-673602,Al(HO)3,-3.6557144605,0.4534026964,2.5152553805,2.5152553805,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-626654,Al(HO)3,-6.1024720386,-1.9933548816,0.0684978025,0.0684978025,GGA,P1,AB3C3_aP56_1_8a_24a_24a:Al-H-O,56.0,AB3C3_aP56_1_8a_24a_24a:Al-H-O +mp-554002,Al(HO)3,-6.1481390293,-2.0390218723,0.0228308118,0.0228308118,GGA,P1,AB3C3_aP14_1_2a_6a_6a:Al-H-O,14.0,AB3C3_aP14_1_2a_6a_6a:Al-H-O +mp-1182949,Al(HO)3,-6.1297176957,-2.0206005388,0.0412521454,0.0412521454,GGA,P1,AB3C3_aP14_1_2a_6a_6a:Al-H-O,14.0,AB3C3_aP14_1_2a_6a_6a:Al-H-O +mp-625316,Al(HO)3,-6.1319144407,-2.0227972838,0.0390554004,0.0390554004,GGA,P-1,AB3C3_aP14_2_i_3i_3i:Al-H-O,14.0,AB3C3_aP14_2_i_3i_3i:Al-H-O +mp-625320,Al(HO)3,-6.1217587543,-2.0126415973,0.0492110868,0.0492110868,GGA,P-1,AB3C3_aP14_2_i_3i_3i:Al-H-O,14.0,AB3C3_aP14_2_i_3i_3i:Al-H-O +mp-626414,Al(HO)3,-6.139117405,-2.030000248,0.0318524361,0.0318524361,GGA,P-1,AB3C3_aP28_2_2i_6i_6i:Al-H-O,28.0,AB3C3_aP28_2_2i_6i_6i:Al-H-O +mp-37836,Al(HO)3,-6.1390243736,-2.0299072166,0.0319454675,0.0319454675,GGA,P-1,AB3C3_aP14_2_i_3i_3i:Al-H-O,14.0,"Invalid WP multiplicities - AB3C3_aP14_2_i_4i_5i:Al-H-O, expected AlH4O5 to be Al(HO)3" +mp-555462,Al(HO)3,-6.1331582736,-2.0240411166,0.0378115675,0.0378115675,GGA,P-1,AB3C3_aP28_2_2i_6i_6i:Al-H-O,28.0,"Invalid WP multiplicities - AB3C3_aP28_2_4i_12i_10i:Al-H-O, expected Al2H6O5 to be Al(HO)3" +mp-554883,Al(HO)3,-6.1410055414,-2.0318883845,0.0299642996,0.0299642996,GGA,P-1,AB3C3_aP14_2_i_3i_3i:Al-H-O,14.0,"Invalid WP multiplicities - AB3C3_aP14_2_i_5i_5i:Al-H-O, expected Al(HO)5 to be Al(HO)3" +mp-626074,Al(HO)3,-6.1333519573,-2.0242348004,0.0376178837,0.0376178837,GGA,P2_1,AB3C3_mP56_4_4a_12a_12a:Al-H-O,56.0,AB3C3_mP56_4_6a_18a_18a:Al-H-O +mp-626631,Al(HO)3,-6.0868611123,-1.9777439554,0.0841087287,0.0841087287,GGA,P2_1,AB3C3_mP56_4_4a_12a_12a:Al-H-O,56.0,AB3C3_mP56_4_6a_18a_18a:Al-H-O +mp-626073,Al(HO)3,-6.0945318832,-1.9854147262,0.0764379579,0.0764379579,GGA,Pc,AB3C3_mP56_7_4a_12a_12a:Al-H-O,56.0,"Invalid WP multiplicities - AB3C3_mP56_7_4a_14a_12a:Al-H-O, expected Al2H7O6 to be Al(HO)3" +mp-626467,Al(HO)3,-6.102186165,-1.993069008,0.0687836761,0.0687836761,GGA,Pc,AB3C3_mP56_7_4a_12a_12a:Al-H-O,56.0,"Invalid WP multiplicities - AB3C3_mP56_7_4a_14a_12a:Al-H-O, expected Al2H7O6 to be Al(HO)3" +mp-626587,Al(HO)3,-6.1303169087,-2.0211997518,0.0406529323,0.0406529323,GGA,Pc,AB3C3_mP56_7_4a_12a_12a:Al-H-O,56.0,AB3C3_mP56_7_7a_21a_21a:Al-H-O +mp-626497,Al(HO)3,-6.1337533479,-2.0246361909,0.0372164932,0.0372164932,GGA,Cm,AB3C3_mC28_8_b_2a2b_2a2b:Al-H-O,14.0,AB3C3_mC28_8_b_2a2b_2a2b:Al-H-O +mp-625739,Al(HO)3,-6.130550152,-2.021432995,0.0404196891,0.0404196891,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Al-H-O,56.0,AB3C3_mP56_14_2e_6e_6e:Al-H-O +mp-626470,Al(HO)3,-6.1475799596,-2.0384628027,0.0233898814,0.0233898814,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Al-H-O,56.0,AB3C3_mP56_14_2e_6e_6e:Al-H-O +mp-777738,Al(HO)3,-6.132957235,-2.023840078,0.0380126061,0.0380126061,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-H-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_9e:Al-H-O, expected Al(HO)9 to be Al(HO)3" +mp-27540,Al(HO)3,-6.1539628664,-2.0448457095,0.0170069746,0.0170069746,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Al-H-O,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_2e_7e_7e:Al-H-O, expected Al2(HO)7 to be Al(HO)3" +mp-560196,Al(HO)3,-6.1410922639,-2.031975107,0.0298775771,0.0298775771,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Al-H-O,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_9e_11e:Al-H-O, expected AlH9O11 to be Al(HO)3" +mp-560572,Al(HO)3,-6.144581648,-2.0354644911,0.026388193,0.026388193,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Al-H-O,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_7e_22e_21e:Al-H-O, expected Al7H22O21 to be Al(HO)3" +mp-985293,Al(HO)3,-6.1461852389,-2.037068082,0.0247846021,0.0247846021,GGA,P2_12_12_1,AB3C3_oP28_19_a_3a_3a:Al-H-O,28.0,"Invalid WP multiplicities - AB3C3_oP28_19_a_9a_9a:Al-H-O, expected Al(HO)9 to be Al(HO)3" +mp-626605,Al(HO)3,-6.129233652,-2.020116495,0.0417361891,0.0417361891,GGA,Pbca,AB3C3_oP56_61_c_3c_3c:Al-H-O,56.0,AB3C3_oP56_61_c_3c_3c:Al-H-O +mp-1193404,Al(HO)3,-6.0893321014,-1.9802149445,0.0816377396,0.0816377396,GGA,Pnma,AB3C3_oP28_62_a_b2c_cd:Al-H-O,28.0,AB3C3_oP28_62_a_b2c_cd:Al-H-O +mp-1201174,CsAlAs3H5O12,-6.1237667941,-1.8082109679,0.0044430959,0.0044430959,GGA,Cc,AB3CD5E12_mC88_9_a_3a_a_5a_12a:Al-As-Cs-H-O,44.0,AB3CD5E12_mC88_9_a_3a_a_5a_12a:Al-As-Cs-H-O +mp-696529,Al5HO8,-7.3752816782,-2.9685591864000003,0.2357229971,0.2357229971,GGA,P6_3mc,A5BC8_hP28_186_2bc_a_ab2c:Al-H-O,28.0,A5BC8_hP28_186_2bc_a_ab2c:Al-H-O +mp-626161,Al5HO8,-7.6052172736,-3.1984947818,0.0057874018,0.0057874018,GGA,P6_3mc,A5BC8_hP28_186_2bc_a_ab2c:Al-H-O,28.0,A5BC8_hP28_186_2bc_a_ab2c:Al-H-O +mp-582723,Cs3AlAs2,-3.1118305365,-0.4868272438,0.0,-0.173194492,GGA,P2_1/c,AB2C3_mP48_14_2e_4e_6e:Al-As-Cs,48.0,"Invalid WP multiplicities - AB2C3_mP48_14_5e_13e_19e:Al-As-Cs, expected Cs19Al5As13 to be Cs3AlAs2" +mp-625075,AlHO2,-6.7370270175,-2.4791071931,0.1675944887,0.1444553602,GGA,P1,ABC2_aP8_1_2a_2a_4a:Al-H-O,8.0,ABC2_aP8_1_2a_2a_4a:Al-H-O +mp-1247827,AlHO2,-3.8765516425,0.3813681819,3.0280698637,3.0049307352,GGA,P2_1,ABC2_mP8_4_a_a_2a:Al-H-O,8.0,"Invalid WP multiplicities - ABC2_mP8_4_a_a_3a:Al-H-O, expected AlHO3 to be AlHO2" +mp-625055,AlHO2,-6.8562602325,-2.5983404081,0.0483612738,0.0252221452,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Al-H-O,8.0,ABC2_mP8_11_e_e_2e:Al-H-O +mp-674463,AlHO2,-6.6815738862,-2.4236540619,0.22304762,0.1999084915,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Al-H-O,8.0,"Invalid WP multiplicities - ABC2_oP8_26_a_b_2ab:Al-H-O, expected AlHO3 to be AlHO2" +mp-23807,AlHO2,-6.870298835,-2.6123790106,0.0343226712,0.0111835427,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Al-H-O,8.0,ABC2_oP8_31_a_a_2a:Al-H-O +mp-625054,AlHO2,-6.9046215062,-2.6467016819,0.0,-0.0231391285,GGA,Cmc2_1,ABC2_oC16_36_a_a_2a:Al-H-O,8.0,ABC2_oC16_36_a_a_2a:Al-H-O +mp-1078520,AlHO2,-6.8605885650000005,-2.6026687406,0.0440329413,0.0208938127,GGA,Pnnm,ABC2_oP8_58_a_c_g:Al-H-O,8.0,ABC2_oP8_58_a_c_g:Al-H-O +mp-625404,AlHO2,-6.8864607969,-2.6285409725,0.0181607094,-0.0049784191,GGA,Pnma,ABC2_oP16_62_c_c_2c:Al-H-O,16.0,ABC2_oP16_62_c_c_2c:Al-H-O +mp-625420,AlHO2,-6.8779945725000005,-2.6200747481,0.0266269338,0.0034878052,GGA,Pnma,ABC2_oP16_62_c_c_2c:Al-H-O,16.0,ABC2_oP16_62_c_c_2c:Al-H-O +mp-625152,AlHO2,-6.8987293756,-2.6408095513000003,0.0058921306,-0.0172469979,GGA,Pnma,ABC2_oP16_62_c_c_2c:Al-H-O,16.0,ABC2_oP16_62_c_c_2c:Al-H-O +mp-542678,AlAs(H2O3)2,-6.1624628232,-1.8578185997,0.0060512855,0.0060512855,GGA,Pbca,ABC4D6_oP96_61_c_c_4c_6c:Al-As-H-O,96.0,ABC4D6_oP96_61_c_c_4c_6c:Al-As-H-O +mp-1212917,Fe2H10Cl6O5,-4.9686181747,-1.1994022448,0.0418279505,0.0418279505,GGA+U,Pca2_1,A6B2C10D5_oP92_29_6a_2a_10a_5a:Cl-Fe-H-O,92.0,A6B2C10D5_oP92_29_6a_2a_10a_5a:Cl-Fe-H-O +mp-1193024,Cs2FeH2Cl5O,-4.4848069691,-1.6452024186,0.0320006407,0.0320006407,GGA+U,Cmcm,A5B2CD2E_oC44_63_ch_2c_c_f_c:Cl-Cs-Fe-H-O,22.0,A5B2CD2E_oC44_63_ch_2c_c_f_c:Cl-Cs-Fe-H-O +mp-1188475,Cs2FeCl5O,-4.1527820161,-1.4360933533,0.2456918272,0.2456918272,GGA+U,Cmcm,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-Fe-O,18.0,A5B2CD_oC36_63_ch_2c_c_c:Cl-Cs-Fe-O +mp-1213458,FeH4Cl5O,-3.7345952736,-0.4409318735,0.6506419989000001,0.6506419989000001,GGA+U,Pnma,A5BC4D_oP44_62_3cd_c_2d_c:Cl-Fe-H-O,44.0,A5BC4D_oP44_62_3cd_c_2d_c:Cl-Fe-H-O +mp-744268,CsFeH4Cl3O2,-4.9817514707,-1.4930864557,0.0,-0.0139374116,GGA+U,Pcca,A3BCD4E2_oP44_54_df_e_c_2f_f:Cl-Cs-Fe-H-O,44.0,A3BCD4E2_oP44_54_df_e_c_2f_f:Cl-Cs-Fe-H-O +mp-23880,FeH4(ClO)2,-5.2657905967,-1.3067488042,0.0,-0.0425001592,GGA+U,C2/m,A2BC4D2_mC18_12_i_a_j_g:Cl-Fe-H-O,9.0,A2BC4D2_mC18_12_i_a_j_g:Cl-Fe-H-O +mp-733521,FeH8(ClO2)2,-5.231650323,-1.2919398073,0.0049310833,0.0049310833,GGA+U,P2_1/c,A2BC8D4_mP30_14_e_a_4e_2e:Cl-Fe-H-O,60.0,A2BC8D4_mP30_14_e_a_4e_2e:Cl-Fe-H-O +mp-725073,FeH8(ClO2)2,-5.1868467493,-1.2471362337,0.049734657,0.049734657,GGA+U,P2_1/c,A2BC8D4_mP30_14_e_a_4e_2e:Cl-Fe-H-O,30.0,A2BC8D4_mP30_14_e_a_4e_2e:Cl-Fe-H-O +mp-735518,FeH2Cl5O3,-3.6837308134,-0.1075287467,0.7922650352,0.7922650352,GGA+U,Pnma,A5BC2D3_oP44_62_3cd_c_d_cd:Cl-Fe-H-O,44.0,A5BC2D3_oP44_62_3cd_c_d_cd:Cl-Fe-H-O +mp-1182106,FeH2Cl5O3,-4.1575521477,-0.5813500810000001,0.3184437008,0.3184437008,GGA+U,Pnma,A5BC2D3_oP44_62_3cd_c_d_cd:Cl-Fe-H-O,44.0,A5BC2D3_oP44_62_3cd_c_d_cd:Cl-Fe-H-O +mp-1194948,Ba2Cu2Te2P2O13,-6.7299847662,-2.2796736583,0.0177678406,0.0177678406,GGA,C2/c,A2B2C13D2E2_mC84_15_f_ce_e6f_f_f:Ba-Cu-O-P-Te,42.0,A2B2C13D2E2_mC84_15_f_ae_e6f_f_f:Ba-Cu-O-P-Te +mp-8851,BaCuP2O7,-7.3284558486,-2.6492187939000003,0.0,-0.0221532666,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cu-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cu-O-P +mp-1192522,Ba2CuP2O9,-7.1581090104,-2.6378261557,0.0444733917,0.0444733917,GGA,P2_1/m,A2BC9D2_mP28_11_2e_a_5e2f_2e:Ba-Cu-O-P,28.0,A2BC9D2_mP28_11_2e_a_5e2f_2e:Ba-Cu-O-P +mp-1192982,Ba2CuP2O9,-7.0585392843,-2.5382564297,0.1440431178,0.1440431178,GGA,C2/c,A2BC9D2_mC56_15_f_c_e4f_f:Ba-Cu-O-P,28.0,A2BC9D2_mC56_15_f_c_e4f_f:Ba-Cu-O-P +mp-558012,Ba2Cu(PO3)6,-7.5353778427,-2.7406604948,0.0,-0.0078449956,GGA,P2_1/c,A2BC18D6_mP108_14_2e_e_18e_6e:Ba-Cu-O-P,108.0,"Invalid WP multiplicities - A2BC18D6_mP108_14_4e_e_70e_22e:Ba-Cu-O-P, expected Ba4Cu(P11O35)2 to be Ba2Cu(PO3)6" +mp-9372,Ba2Cu(PO4)2,-7.3633365754,-2.8758541713,0.0,-0.002444565,GGA,C2/m,A2BC8D2_mC26_12_i_a_2ij_i:Ba-Cu-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_3ij_i:Ba-Cu-O-P, expected Ba2Cu(PO5)2 to be Ba2Cu(PO4)2" +mp-756522,CuTe(PO4)2,-6.8311428842,-2.0275906119,0.0522212312,0.0522212312,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cu-O-P-Te,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cu-O-P-Te, expected CuTe(PO5)3 to be CuTe(PO4)2" +mp-654359,BaCu2(PO4)2,-7.0296953771,-2.3745028399,0.0122870763,0.0122870763,GGA,P-1,AB2C8D2_aP52_2_2i_4i_16i_4i:Ba-Cu-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_aP52_2_2i_8i_29i_8i:Ba-Cu-O-P, expected Ba2Cu8P8O29 to be BaCu2(PO4)2" +mp-1369672,BaCu2(PO4)2,-4.1218353004,0.5333572368,2.9201471531000003,2.9201471531000003,GGA,P-1,AB2C8D2_aP52_2_2i_4i_16i_4i:Ba-Cu-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_aP52_2_2i_8i_29i_8i:Ba-Cu-O-P, expected Ba2Cu8P8O29 to be BaCu2(PO4)2" +mp-25291,LiNi(WO4)2,-8.0082733192,-1.9100375111,0.0920679444,0.0920679444,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Li-Ni-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Li-Ni-O-W +mp-775913,SrLi4NiO4,-5.4897692162,-2.0005615718,0.0959413233,0.0959413233,GGA+U,P2_1/c,A4BC4D_mP80_14_8e_2e_8e_2e:Li-Ni-O-Sr,80.0,"Invalid WP multiplicities - A4BC4D_mP80_14_31e_7e_27e_7e:Li-Ni-O-Sr, expected Sr7Li31Ni7O27 to be SrLi4NiO4" +mp-776394,SrLi4NiO4,-5.4992227819,-2.0100151374,0.0864877576,0.0864877576,GGA+U,Pbca,A4BC4D_oP80_61_4c_c_4c_c:Li-Ni-O-Sr,80.0,"Invalid WP multiplicities - A4BC4D_oP80_61_13c_c_13c_c:Li-Ni-O-Sr, expected SrLi13NiO13 to be SrLi4NiO4" +mp-756537,Li4Ni3WO8,-6.7108638906,-1.8666300515,0.0517850491,0.0517850491,GGA+U,R-3m,A4B3C8D_hR48_166_ae_d_ch_b:Li-Ni-O-W,16.0,"Invalid WP multiplicities - A4B3C8D_hR48_166_ae_d_2c2h_b:Li-Ni-O-W, expected Li4Ni3WO16 to be Li4Ni3WO8" +mp-1314851,Li2Ni3WO8,-6.9048884189,-1.6413244408,0.0589627536,0.0589627536,GGA+U,C2/m,A2B3C8D_mC28_12_i_ae_2ij_c:Li-Ni-O-W,28.0,"Invalid WP multiplicities - A2B3C8D_mC28_12_i_2c2e_3ij_b:Li-Ni-O-W, expected Li2Ni6WO10 to be Li2Ni3WO8" +mp-1177957,Li2Ni3WO8,-6.9094345209,-1.6458705428,0.0544166516,0.0544166516,GGA+U,P2_12_12_1,A2B3C8D_oP56_19_2a_3a_8a_a:Li-Ni-O-W,56.0,"Invalid WP multiplicities - A2B3C8D_oP56_19_5a_9a_29a_a:Li-Ni-O-W, expected Li5Ni9WO29 to be Li2Ni3WO8" +mp-756370,Li2Ni3WO8,-6.9063744839000005,-1.6428105058,0.0574766886,0.0574766886,GGA+U,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Li-Ni-O-W,28.0,A2B3C8D_hR42_166_c_d_ch_a:Li-Ni-O-W +mp-1177874,Li2Ni3WO8,-6.9077654627000005,-1.6442014846,0.0560857098,0.0560857098,GGA+U,P4_32_12,A2B3C8D_tP56_96_b_ab_4b_a:Li-Ni-O-W,56.0,"Invalid WP multiplicities - A2B3C8D_tP56_96_b_3a2b_29b_a:Li-Ni-O-W, expected Li2Ni7WO58 to be Li2Ni3WO8" +mp-771895,Li2Ni3WO8,-6.9312967543,-1.6677327762,0.0325544182,0.0325544182,GGA+U,P6_3mc,A2B3C8D_hP28_186_ab_c_ab2c_b:Li-Ni-O-W,28.0,"Invalid WP multiplicities - A2B3C8D_hP28_186_a2b_c_a2b9c_b:Li-Ni-O-W, expected Li3Ni3WO30 to be Li2Ni3WO8" +mp-558765,Li2Ni(WO4)2,-7.9187712077,-2.1427902413,0.0016228658,0.0016228658,GGA+U,P-1,A2BC8D2_aP13_2_i_a_4i_i:Li-Ni-O-W,26.0,A2BC8D2_aP13_2_i_a_4i_i:Li-Ni-O-W +mp-753817,Sr2Li2NiO4,-5.8756231603,-2.2352093642,0.0908369581,0.0908369581,GGA+U,P-1,A2BC4D2_aP18_2_2i_i_4i_2i:Li-Ni-O-Sr,36.0,A2BC4D2_aP18_2_2i_i_4i_2i:Li-Ni-O-Sr +mp-1210165,NaGa(WO4)2,-8.0350305967,-2.2149979745,0.0141349215,0.0141349215,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Ga-Na-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Ga-Na-O-W +mp-1233056,CaGa4(WO6)2,-7.3821881321,-2.1508981866,0.2265547584,0.2265547584,GGA+U,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Ca-Ga-O-W,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Ca-Ga-O-W +mp-1233372,CaGa4(WO6)2,-7.3068580832,-2.0755681376,0.3018848074,0.3018848074,GGA+U,P-4,AB4C12D2_tP19_81_a_2g_3h_g:Ca-Ga-O-W,19.0,"Invalid WP multiplicities - AB4C12D2_tP19_81_a_4g_10h_g:Ca-Ga-O-W, expected CaGa8(WO20)2 to be CaGa4(WO6)2" +mp-1047193,Mg2AgWO6,-7.020764868,-2.1536270079,0.0872602565,0.0872602565,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Ag-Mg-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Ag-Mg-O-W +mp-1324912,Mg2AgWO6,-7.010728138,-2.1435902779,0.0972969865,0.0972969865,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Ag-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Ag-Mg-O-W +mp-1221982,MgZn4Ag5,-2.175035629,-0.0948321783,0.0103043263,0.0103043263,GGA,P4/mmm,A5BC4_tP10_123_a2g_d_2h:Ag-Mg-Zn,10.0,"Invalid WP multiplicities - A5BC4_tP10_123_a3g_d_3h:Ag-Mg-Zn, expected MgZn6Ag7 to be MgZn4Ag5" +mp-2215908,MgZn2AgWO6,-6.3257731809,-1.8175381108,0.2347717098,0.2347717098,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn +mp-2215977,MgZn2AgWO6,-6.3072653236,-1.7990302536,0.2532795671,0.2532795671,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn +mp-2215830,MgZn2AgWO6,-6.2871499573000005,-1.7789148872,0.2733949335,0.2733949335,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Ag-Mg-O-W-Zn +mp-1221932,MgZnAg2,-2.2752378225,-0.1439539058,0.02139832,0.0153016377,GGA,P4/mmm,A2BC_tP4_123_h_a_b:Ag-Mg-Zn,4.0,A2BC_tP4_123_h_a_b:Ag-Mg-Zn +mp-11236,MgZnAg2,-2.2966361425,-0.1653522258,0.0,-0.0060966823,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Zn,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Zn +mp-1095790,Mg2ZnAg,-0.82627591,0.9969390183,1.1829242002,1.1829242002,GGA,Immm,AB2C_oI8_71_a_e_b:Ag-Mg-Zn,4.0,AB2C_oI8_71_a_e_b:Ag-Mg-Zn +mp-2227031,MgZn2(AgO2)4,-4.6876234733,-1.0193900751,0.1147501977,0.1147501977,GGA,P-1,A4BC8D2_aP15_2_2i_a_4i_i:Ag-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_aP15_2_3i_a_7i_i:Ag-Mg-O-Zn, expected MgZn2(Ag3O7)2 to be MgZn2(AgO2)4" +mp-2227305,MgZn2(AgO2)4,-4.6520349407,-0.9838015424,0.1503387303,0.1503387303,GGA,P-1,A4BC8D2_aP15_2_2i_a_4i_i:Ag-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_aP15_2_3i_a_7i_i:Ag-Mg-O-Zn, expected MgZn2(Ag3O7)2 to be MgZn2(AgO2)4" +mp-2227480,MgZn2(AgO2)4,-4.5766551507,-0.9084217524,0.2257185203,0.2257185203,GGA,Cm,A4BC8D2_mC30_8_2ab_a_4a2b_2a:Ag-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_mC30_8_2a2b_a_4a4b_2a:Ag-Mg-O-Zn, expected MgZn2(AgO2)6 to be MgZn2(AgO2)4" +mp-2227342,MgZn2(AgO2)4,-4.2847093,-0.6164759018,0.5176643710000001,0.5176643710000001,GGA,Amm2,A4BC8D2_oC30_38_2c_a_ab3c_ab:Ag-Mg-O-Zn,15.0,"Invalid WP multiplicities - A4BC8D2_oC30_38_4c_a_ab4c_ab:Ag-Mg-O-Zn, expected MgZn2(Ag4O5)2 to be MgZn2(AgO2)4" +mp-560369,La2MnVO6,-8.9394079165,-3.1596011325,0.045776696,0.045776696,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:La-Mn-O-V,20.0,A2BC6D_mP20_14_e_a_3e_b:La-Mn-O-V +mp-1205445,LaMn3V4O12,-8.9487115075,-2.5428144177,0.0491009269,0.0491009269,GGA+U,C2/m,AB3C12D4_mC40_12_a_bcd_2i2j_ef:La-Mn-O-V,20.0,"Invalid WP multiplicities - AB3C12D4_mC40_12_a_bcd_3i2j_ef:La-Mn-O-V, expected LaMn3V4O14 to be LaMn3V4O12" +mp-1105477,LaMn3V4O12,-8.700355997,-2.2944589072,0.2974564374,0.2974564374,GGA+U,Im-3m,AB3C12D4_cI40_229_a_b_h_c:La-Mn-O-V,20.0,AB3C12D4_cI40_229_a_b_h_c:La-Mn-O-V +mp-1519675,CaDyV4O12,-8.3268087983,-2.6430157131,0.1915217458,0.1915217458,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ca-Dy-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ca-Dy-O-V, expected CaDyV4O18 to be CaDyV4O12" +mp-1213242,Dy6Al43V4,-4.5593151431,-0.3133508788,0.0,-0.0318042558,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Dy-V +mp-1191127,LiCr(WO4)2,-8.6960190621,-2.2750406882,0.0066662136,0.0066662136,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cr-Li-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cr-Li-O-W +mp-756151,Li4Cr5WO12,-8.1280637205,-2.2999126486,0.0745976255,0.0745976255,GGA+U,C2/m,A5B4C12D_mC44_12_agh_j_2i2j_d:Cr-Li-O-W,22.0,"Invalid WP multiplicities - A5B4C12D_mC44_12_a2g2h_j_3i4j_c:Cr-Li-O-W, expected Li4Cr9WO22 to be Li4Cr5WO12" +mp-1178047,Li2Cr3WO8,-8.429850933600001,-2.3363775005000003,0.01827693,0.01827693,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-W,28.0,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-W +mp-775271,Li2Cr3WO8,-8.4370870271,-2.343613594,0.0110408364,0.0110408364,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-W,28.0,"Invalid WP multiplicities - A3B2C8D_hP28_186_c_a2b_a2b9c_b:Cr-Li-O-W, expected Li3Cr3WO30 to be Li2Cr3WO8" +mp-758116,Li2Cr3WO8,-8.4350726537,-2.3415992207,0.0130552098,0.0130552098,GGA+U,P4_332,A3B2C8D_cP56_212_d_c_ce_a:Cr-Li-O-W,56.0,"Invalid WP multiplicities - A3B2C8D_cP56_212_d_c_8c9e_a:Cr-Li-O-W, expected Li2Cr3WO70 to be Li2Cr3WO8" +mp-778229,Li9Cr3(WO4)7,-8.0708824036,-2.212294239,0.1079377945,0.1079377945,GGA+U,R3m,A3B9C28D7_hR141_160_b_bc_a5b2c_a2b:Cr-Li-O-W,47.0,"Invalid WP multiplicities - A3B9C28D7_hR141_160_b_2b2c_a10b6c_a3b:Cr-Li-O-W, expected Li18Cr3W10O67 to be Li9Cr3(WO4)7" +mp-771209,Li7Cr3(WO8)2,-7.4757729854,-2.2120271883,0.05740928,0.05740928,GGA+U,Cm,A3B7C16D2_mC56_8_ab_5ab_8a4b_2a:Cr-Li-O-W,28.0,"Invalid WP multiplicities - A3B7C16D2_mC56_8_ab_5a2b_8a6b_2a:Cr-Li-O-W, expected Li9Cr3(WO10)2 to be Li7Cr3(WO8)2" +mp-754685,Li4CrFe(WO6)2,-7.662529246,-2.1107649889,0.0804004014,0.0804004014,GGA+U,P1,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Cr-Fe-Li-O-W,20.0,ABC4D12E2_aP20_1_a_a_4a_12a_2a:Cr-Fe-Li-O-W +mp-761030,Li4Cr3Fe3(WO8)2,-8.1122181814,-2.1454975619,0.0547098316,0.0547098316,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-W,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-W +mp-754450,Li2CrWO6,-7.8182418045,-2.2073262344,0.0700449812,0.0700449812,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Cr-Li-O-W,20.0,AB2C6D_hR30_146_a_2a_2b_a:Cr-Li-O-W +mp-778824,Li4Cr(WO4)3,-8.074960137,-2.2987904289,0.0329325785,0.0329325785,GGA+U,P1,AB4C12D3_aP20_1_a_4a_12a_3a:Cr-Li-O-W,20.0,AB4C12D3_aP20_1_a_4a_12a_3a:Cr-Li-O-W +mp-756027,Li4Cr(WO4)3,-8.0722487355,-2.2960790274,0.03564398,0.03564398,GGA+U,P2,AB4C12D3_mP20_3_a_abcd_6e_bcd:Cr-Li-O-W,20.0,"Invalid WP multiplicities - AB4C12D3_mP20_3_a_abcd_11e_bcd:Cr-Li-O-W, expected Li4CrW3O22 to be Li4Cr(WO4)3" +mp-756915,Li3VCr4O8,-8.054611155,-2.242337765,0.0840476286,0.0840476286,GGA+U,C2/m,A4B3C8D_mC32_12_ade_bf_2ij_c:Cr-Li-O-V,16.0,"Invalid WP multiplicities - A4B3C8D_mC32_12_ace_d2f_3i2j_b:Cr-Li-O-V, expected Li5VCr4O14 to be Li3VCr4O8" +mp-752568,Li5V2Cr2O8,-7.3746226559,-2.2809737675,0.0802674994,0.0802674994,GGA+U,C2/m,A2B5C8D2_mC34_12_f_bei_2ij_ac:Cr-Li-O-V,17.0,A2B5C8D2_mC34_12_e_afi_2ij_bc:Cr-Li-O-V +mp-769583,Li3VCr3O8,-7.9513115607,-2.395089776,0.0392955044,0.0392955044,GGA+U,P1,A3B3C8D_aP30_1_6a_6a_16a_2a:Cr-Li-O-V,30.0,A3B3C8D_aP30_1_6a_6a_16a_2a:Cr-Li-O-V +mp-807771,Li3VCr3O8,-7.4130837293,-1.8568619447,0.5775233357,0.5775233357,GGA+U,P-1,A3B3C8D_aP15_2_acd_bfg_4i_e:Cr-Li-O-V,15.0,"Invalid WP multiplicities - A3B3C8D_aP15_2_acd_bfg_7i_e:Cr-Li-O-V, expected Li3VCr3O14 to be Li3VCr3O8" +mp-755473,Li3VCr3O8,-7.9384127093,-2.3821909247,0.0521943557,0.0521943557,GGA+U,C2/m,A3B3C8D_mC30_12_ae_cf_2ij_b:Cr-Li-O-V,15.0,"Invalid WP multiplicities - A3B3C8D_mC30_12_bf_ce_3i2j_a:Cr-Li-O-V, expected Li3VCr3O14 to be Li3VCr3O8" +mp-755839,Li3VCr3O8,-7.952187204,-2.3959654193,0.038419861,0.038419861,GGA+U,R-3m,A3B3C8D_hR45_166_e_d_ch_a:Cr-Li-O-V,30.0,A3B3C8D_hR45_166_e_d_ch_a:Cr-Li-O-V +mp-764983,Li3VCr3O8,-7.9528075003,-2.3965857157,0.0377995647,0.0377995647,GGA+U,R-3m,A3B3C8D_hR45_166_d_e_ch_a:Cr-Li-O-V,30.0,A3B3C8D_hR45_166_d_e_ch_a:Cr-Li-O-V +mp-753076,LiVCuO4,-6.9155735436,-1.9328891933,0.0709181018,0.0709181018,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Cu-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_a_c_2fg_c:Cu-Li-O-V, expected LiVCuO6 to be LiVCuO4" +mp-505131,LiVCuO4,-6.9443536021,-1.9616692519,0.0421380432,0.0421380432,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V +mp-756739,LiVCuO4,-6.8789999657,-1.8963156155,0.1074916796,0.1074916796,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cu-Li-O-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_2h3i_c:Cu-Li-O-V, expected LiVCuO10 to be LiVCuO4" +mp-1103775,LiVCuO4,-6.7413772643000005,-1.758692914,0.2451143811,0.2451143811,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V +mp-1105144,LiVCuO4,-6.9260327514,-1.9433484012,0.0604588939,0.0604588939,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Cu-Li-O-V +mp-775214,LiVCuO4,-6.8922917686,-1.9096074183,0.0941998768,0.0941998768,GGA+U,P4_322,ABC4D_tP28_95_c_a_2d_b:Cu-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_c_a_3d_b:Cu-Li-O-V, expected LiVCuO6 to be LiVCuO4" +mp-753970,Li4V3CrO8,-7.7168209338,-2.4596980065,0.0134293853,0.0134293853,GGA+U,P-1,AB4C8D3_aP16_2_a_2i_4i_bi:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_aP16_2_a_3i_6i_b2i:Cr-Li-O-V, expected Li6V5CrO12 to be Li4V3CrO8" +mp-807998,Li4V3CrO8,-4.630595195,0.6265277323,3.0996551241,3.0996551241,GGA+U,P-1,AB4C8D3_aP16_2_a_2i_4i_bcg:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_aP16_2_a_2i_8i_bcg:Cr-Li-O-V, expected Li4V3CrO16 to be Li4V3CrO8" +mp-769611,Li4V3CrO8,-7.7252183547,-2.4680954274,0.0050319644,0.0050319644,GGA+U,P-1,AB4C8D3_aP32_2_i_4i_8i_bc2i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_7i_16i_bc3i:Cr-Li-O-V, expected Li7V4CrO16 to be Li4V3CrO8" +mp-769614,Li4V3CrO8,-7.7194860934,-2.4623631661,0.0107642256,0.0107642256,GGA+U,P-1,AB4C8D3_aP32_2_i_ac3i_8i_3i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_ac6i_16i_6i:Cr-Li-O-V, expected Li7V6CrO16 to be Li4V3CrO8" +mp-769615,Li4V3CrO8,-7.7191826444,-2.4620597171,0.0110676747,0.0110676747,GGA+U,P-1,AB4C8D3_aP32_2_i_bc3i_8i_3i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_bc6i_14i_3i:Cr-Li-O-V, expected Li7V3CrO14 to be Li4V3CrO8" +mp-802816,Li4V3CrO8,-4.0971735928,1.1599493345,3.6330767263,3.6330767263,GGA+U,P-1,AB4C8D3_aP32_2_i_4i_8i_ac2i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_6i_13i_ac4i:Cr-Li-O-V, expected Li6V5CrO13 to be Li4V3CrO8" +mp-769628,Li4V3CrO8,-7.7190955466,-2.4619726193,0.0111547725,0.0111547725,GGA+U,P-1,AB4C8D3_aP32_2_i_4i_8i_ac2i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_6i_13i_ac4i:Cr-Li-O-V, expected Li6V5CrO13 to be Li4V3CrO8" +mp-861746,Li4V3CrO8,-7.7076440372,-2.4505211099,0.0226062819,0.0226062819,GGA+U,P-1,AB4C8D3_aP32_2_i_abcg2i_8i_3i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_abcg4i_16i_5i:Cr-Li-O-V, expected Li6V5CrO16 to be Li4V3CrO8" +mp-1374388,Li4V3CrO8,-6.6026398225000005,-1.3455168952,1.1276104966,1.1276104966,GGA+U,P-1,AB4C8D3_aP32_2_i_4i_8i_ac2i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - AB4C8D3_aP32_2_i_6i_13i_ac4i:Cr-Li-O-V, expected Li6V5CrO13 to be Li4V3CrO8" +mp-754321,Li4V3CrO8,-7.7025948406,-2.4454719133,0.0276554784,0.0276554784,GGA+U,P2/m,AB4C8D3_mP16_10_a_ghj_mno_bk:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_mP16_10_a_cfj_m2n3o_bl:Cr-Li-O-V, expected Li4V3CrO18 to be Li4V3CrO8" +mp-754324,Li4V3CrO8,-7.7197556131,-2.4626326858,0.0104947059,0.0104947059,GGA+U,C2/m,AB4C8D3_mC32_12_a_hi_2ij_be:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_mC32_12_a_hi_4i3j_bf:Cr-Li-O-V, expected Li4V3CrO20 to be Li4V3CrO8" +mp-1177371,Li4V3CrO8,-7.7071589662,-2.450036039,0.0230913528,0.0230913528,GGA+U,R-3m,AB4C8D3_hR48_166_a_bd_ch_e:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB4C8D3_hR48_166_a_bd_2c2h_e:Cr-Li-O-V, expected Li4V3CrO16 to be Li4V3CrO8" +mp-754013,LiV4CuO12,-7.6930662306,-2.0428429888,0.083200963,0.083200963,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Cu-Li-O-V,18.0,ABC12D4_aP18_1_a_a_12a_4a:Cu-Li-O-V +mp-756257,LiV4CuO12,-7.7354339783,-2.0852107366,0.0408332152,0.0408332152,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cu-Li-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Cu-Li-O-V, expected LiV8CuO24 to be LiV4CuO12" +mp-754708,Li3V5Cr2O12,-8.2999425255,-2.3993671425,0.0826711963,0.0826711963,GGA+U,C2,A2B3C12D5_mC44_5_ab_ac_6c_a2bc:Cr-Li-O-V,22.0,"Invalid WP multiplicities - A2B3C12D5_mC44_5_ab_ac_12c_a2b2c:Cr-Li-O-V, expected Li3V7Cr2O24 to be Li3V5Cr2O12" +mp-764013,Li5V3CrO8,-7.3529771679,-2.2928071854,0.0884715376,0.0884715376,GGA+U,Cc,AB5C8D3_mC68_9_a_5a_8a_3a:Cr-Li-O-V,34.0,"Invalid WP multiplicities - AB5C8D3_mC68_9_a_9a_15a_4a:Cr-Li-O-V, expected Li9V4CrO15 to be Li5V3CrO8" +mp-760963,Li5V3CrO8,-7.3349959112,-2.2748259286,0.1064527944,0.1064527944,GGA+U,P6_3mc,AB5C8D3_hP34_186_b_abc_ab2c_c:Cr-Li-O-V,34.0,"Invalid WP multiplicities - AB5C8D3_hP34_186_b_2a2b2c_2a2b11c_c:Cr-Li-O-V, expected Li10V3CrO37 to be Li5V3CrO8" +mp-772560,Li9V12Cr7O48,-7.9437441557,-2.2700656153,0.0664510021,0.0664510021,GGA+U,P1,A7B9C48D12_aP76_1_7a_9a_48a_12a:Cr-Li-O-V,76.0,A7B9C48D12_aP76_1_7a_9a_48a_12a:Cr-Li-O-V +mp-772575,Li9V12Cr7O48,-7.9450540222,-2.2713754818,0.0651411355,0.0651411355,GGA+U,P1,A7B9C48D12_aP76_1_7a_9a_48a_12a:Cr-Li-O-V,76.0,A7B9C48D12_aP76_1_7a_9a_48a_12a:Cr-Li-O-V +mp-769620,Li2VCrO4,-7.7325523479,-2.4398580831,0.0119795115,0.0119795115,GGA+U,P1,AB2C4D_aP24_1_3a_6a_12a_3a:Cr-Li-O-V,24.0,AB2C4D_aP24_1_3a_6a_12a_3a:Cr-Li-O-V +mp-754029,Li2VCrO4,-7.7383782831,-2.4456840183,0.0061535762,0.0061535762,GGA+U,P-1,AB2C4D_aP16_2_i_abi_4i_i:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_aP16_2_i_ab2i_7i_i:Cr-Li-O-V, expected Li3VCrO7 to be Li2VCrO4" +mp-769617,Li2VCrO4,-7.7243766904,-2.4316824256,0.020155169,0.020155169,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Cr-Li-O-V,24.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_5i_10i_ci:Cr-Li-O-V, expected Li10V3Cr3O20 to be Li2VCrO4" +mp-769635,Li2VCrO4,-7.7244684487,-2.431774184,0.0200634106,0.0200634106,GGA+U,P-1,AB2C4D_aP24_2_ai_fh2i_6i_ci:Cr-Li-O-V,24.0,"Invalid WP multiplicities - AB2C4D_aP24_2_ai_fh3i_11i_c2i:Cr-Li-O-V, expected Li8V5Cr3O22 to be Li2VCrO4" +mp-860461,Li2VCrO4,-7.7250342196,-2.4323399548,0.0194976398,0.0194976398,GGA+U,P-1,AB2C4D_aP24_2_ai_3i_6i_ci:Cr-Li-O-V,24.0,"Invalid WP multiplicities - AB2C4D_aP24_2_a2i_4i_12i_ci:Cr-Li-O-V, expected Li8V3Cr5O24 to be Li2VCrO4" +mp-1275910,Li2VCrO4,-7.7066328375,-2.4139385727,0.0378990219,0.0378990219,GGA+U,Cm,AB2C4D_mC32_8_2a_4a_8a_2a:Cr-Li-O-V,16.0,AB2C4D_mC32_8_2a_4a_8a_2a:Cr-Li-O-V +mp-1278864,Li2VCrO4,-7.7067105244,-2.4140162596,0.037821335,0.037821335,GGA+U,Cm,AB2C4D_mC32_8_2a_4a_8a_2a:Cr-Li-O-V,16.0,AB2C4D_mC32_8_2a_4a_8a_2a:Cr-Li-O-V +mp-754054,Li2VCrO4,-7.7346896325,-2.4419953677,0.0098422269,0.0098422269,GGA+U,P2/m,AB2C4D_mP8_10_b_ch_mn_d:Cr-Li-O-V,16.0,AB2C4D_mP8_10_b_ce_mn_g:Cr-Li-O-V +mp-755540,Li2VCrO4,-7.742483095,-2.4497888302,0.0020487644,0.0020487644,GGA+U,C2/m,AB2C4D_mC16_12_a_i_2i_d:Cr-Li-O-V,8.0,AB2C4D_mC16_12_a_i_2i_c:Cr-Li-O-V +mp-754015,Li2VCrO4,-7.7393782463,-2.4466839815,0.0051536131,0.0051536131,GGA+U,C2/m,AB2C4D_mC32_12_i_adi_4i_i:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_mC32_12_i_ac2i_7i_i:Cr-Li-O-V, expected Li3VCrO7 to be Li2VCrO4" +mp-753811,Li2VCrO4,-7.7381492988,-2.445455034,0.0063825606,0.0063825606,GGA+U,P2/c,AB2C4D_mP16_13_e_2f_2g_e:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_mP16_13_e_3f_4g_e:Cr-Li-O-V, expected Li3VCrO8 to be Li2VCrO4" +mp-753589,Li2VCrO4,-7.739833835,-2.4471395702,0.0046980244,0.0046980244,GGA+U,C2/c,AB2C4D_mC32_15_e_f_2f_e:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_mC32_15_e_f_6f_e:Cr-Li-O-V, expected Li2VCrO12 to be Li2VCrO4" +mp-759380,Li2VCrO4,-7.7220150294,-2.4293207646,0.02251683,0.02251683,GGA+U,Imma,AB2C4D_oI32_74_a_bc_hi_d:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_oI32_74_a_2b2c_2h3i_d:Cr-Li-O-V, expected Li4VCrO10 to be Li2VCrO4" +mp-755278,Li2VCrO4,-7.7085742956,-2.4158800308,0.0359575637,0.0359575637,GGA+U,I-4m2,AB2C4D_tI16_119_a_bc_ef_d:Cr-Li-O-V,16.0,AB2C4D_tI16_119_a_bc_ef_d:Cr-Li-O-V +mp-769596,Li3V3CrO8,-7.9233945823,-2.4430583177000003,0.0446715022,0.0446715022,GGA+U,P1,AB3C8D3_aP30_1_2a_6a_16a_6a:Cr-Li-O-V,30.0,AB3C8D3_aP30_1_2a_6a_16a_6a:Cr-Li-O-V +mp-753269,Li3V3CrO8,-7.863760691299999,-2.3834244267,0.1043053932,0.1043053932,GGA+U,Cm,AB3C8D3_mC30_8_a_3a_8a_3a:Cr-Li-O-V,15.0,AB3C8D3_mC30_8_a_3a_8a_3a:Cr-Li-O-V +mp-760232,Li5VCr3O8,-7.3720524576,-2.2449246633,0.0962791474,0.0962791474,GGA+U,R-3m,A3B5C8D_hR51_166_d_ce_ch_a:Cr-Li-O-V,17.0,"Invalid WP multiplicities - A3B5C8D_hR51_166_d_2c2e_2ch_a:Cr-Li-O-V, expected Li10VCr3O10 to be Li5VCr3O8" +mp-760333,Li5VCr3O8,-7.3838250476,-2.2566972533,0.0845065574,0.0845065574,GGA+U,P6_3mc,A3B5C8D_hP34_186_c_abc_ab2c_b:Cr-Li-O-V,34.0,"Invalid WP multiplicities - A3B5C8D_hP34_186_c_2a2b4c_2a2b10c_b:Cr-Li-O-V, expected Li16VCr3O34 to be Li5VCr3O8" +mp-849340,Li4V3Cr3O12,-8.008104945,-2.4077950986,0.0548137296,0.0548137296,GGA+U,P-1,A3B4C12D3_aP22_2_bi_2i_6i_ei:Cr-Li-O-V,22.0,"Invalid WP multiplicities - A3B4C12D3_aP22_2_bi_2i_11i_e2i:Cr-Li-O-V, expected Li4V5Cr3O22 to be Li4V3Cr3O12" +mp-753616,Li4VCr3O8,-7.7531535644,-2.4248879621,0.0056598353,0.0056598353,GGA+U,P-1,A3B4C8D_aP16_2_ai_2i_4i_b:Cr-Li-O-V,16.0,A3B4C8D_aP16_2_bi_2i_4i_d:Cr-Li-O-V +mp-769593,Li4VCr3O8,-7.7449991253,-2.416733523,0.0138142744,0.0138142744,GGA+U,P-1,A3B4C8D_aP32_2_3i_ac3i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_6i_bc4i_16i_i:Cr-Li-O-V, expected Li5VCr6O16 to be Li4VCr3O8" +mp-802792,Li4VCr3O8,-4.2017156447,1.1265499576,3.557097755,3.557097755,GGA+U,P-1,A3B4C8D_aP32_2_3i_ac3i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_6i_ac4i_16i_i:Cr-Li-O-V, expected Li5VCr6O16 to be Li4VCr3O8" +mp-769595,Li4VCr3O8,-7.7487088237,-2.4204432215,0.0101045759,0.0101045759,GGA+U,P-1,A3B4C8D_aP32_2_3i_abcg2i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_5i_abcg4i_16i_i:Cr-Li-O-V, expected Li6VCr5O16 to be Li4VCr3O8" +mp-769605,Li4VCr3O8,-7.748746565,-2.4204809627,0.0100668347,0.0100668347,GGA+U,P-1,A3B4C8D_aP32_2_bc2i_4i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_bc4i_7i_13i_i:Cr-Li-O-V, expected Li7VCr5O13 to be Li4VCr3O8" +mp-769608,Li4VCr3O8,-7.7443266016,-2.4160609993,0.0144867981,0.0144867981,GGA+U,P-1,A3B4C8D_aP32_2_ac2i_4i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_ac4i_8i_13i_i:Cr-Li-O-V, expected Li8VCr5O13 to be Li4VCr3O8" +mp-769609,Li4VCr3O8,-7.74894995,-2.4206843477,0.0098634497,0.0098634497,GGA+U,P-1,A3B4C8D_aP32_2_3i_be3i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_5i_be5i_16i_i:Cr-Li-O-V, expected Li6VCr5O16 to be Li4VCr3O8" +mp-1375244,Li4VCr3O8,-6.3168193166,-0.9885537143,1.4419940831,1.4419940831,GGA+U,P-1,A3B4C8D_aP32_2_3i_ac3i_8i_i:Cr-Li-O-V,32.0,"Invalid WP multiplicities - A3B4C8D_aP32_2_6i_ac4i_16i_i:Cr-Li-O-V, expected Li5VCr6O16 to be Li4VCr3O8" +mp-776615,Li4VCr3O8,-7.7544067544,-2.4261411521,0.0044066453,0.0044066453,GGA+U,P2/m,A3B4C8D_mP16_10_aj_ghk_mno_b:Cr-Li-O-V,16.0,"Invalid WP multiplicities - A3B4C8D_mP16_10_aj_cfl_2m2n2o_b:Cr-Li-O-V, expected Li4VCr3O16 to be Li4VCr3O8" +mp-776618,Li4VCr3O8,-7.7546542138,-2.4263886115,0.0041591859,0.0041591859,GGA+U,C2/m,A3B4C8D_mC32_12_ah_ei_2ij_b:Cr-Li-O-V,16.0,A3B4C8D_mC32_12_ah_ei_2ij_b:Cr-Li-O-V +mp-1177300,Li4VCr3O8,-7.7438174881,-2.4155518858,0.0149959116,0.0149959116,GGA+U,C2/m,A3B4C8D_mC32_12_ae_hi_2ij_b:Cr-Li-O-V,16.0,"Invalid WP multiplicities - A3B4C8D_mC32_12_af_hi_4i3j_b:Cr-Li-O-V, expected Li4VCr3O20 to be Li4VCr3O8" +mp-850338,Li4VCr3O8,-7.7539956875,-2.4257300852,0.0048177122,0.0048177122,GGA+U,R-3m,A3B4C8D_hR48_166_d_ae_ch_b:Cr-Li-O-V,32.0,A3B4C8D_hR48_166_d_ae_ch_b:Cr-Li-O-V +mp-757208,Li3V2CrO6,-7.7337307508,-2.464750711,0.0012800817,0.0012800817,GGA+U,C2/m,AB3C6D2_mC24_12_a_ci_3i_i:Cr-Li-O-V,24.0,AB3C6D2_mC24_12_a_di_3i_i:Cr-Li-O-V +mp-1201317,LiV(CuO3)2,-6.409614826,-1.5224773716,0.1084477094,0.1084477094,GGA+U,P2_12_12_1,A2BC6D_oP40_19_2a_a_6a_a:Cu-Li-O-V,40.0,"Invalid WP multiplicities - A2BC6D_oP40_62_d_c_4c2d_c:Cu-Li-O-V, expected LiV(CuO4)2 to be LiV(CuO3)2" +mp-780727,Li4V3Cr2O10,-7.8505765058,-2.3947664148,0.076443022,0.076443022,GGA+U,P1,A2B4C10D3_aP19_1_2a_4a_10a_3a:Cr-Li-O-V,19.0,A2B4C10D3_aP19_1_2a_4a_10a_3a:Cr-Li-O-V +mp-755828,Li2V4CrCuO12,-7.8854178615,-2.2221184271,0.3383901225,0.3383901225,GGA+U,C2,ABC2D12E4_mC40_5_a_b_ab_6c_2c:Cr-Cu-Li-O-V,20.0,"Invalid WP multiplicities - ABC2D12E4_mC40_5_a_b_ab_12c_4c:Cr-Cu-Li-O-V, expected Li2V8CrCuO24 to be Li2V4CrCuO12" +mp-1570812,Li2V4CrCuO12,-7.918709815,-2.2554103806,0.305098169,0.305098169,GGA+U,C2,ABC2D12E4_mC40_5_a_b_ab_6c_2c:Cr-Cu-Li-O-V,20.0,"Invalid WP multiplicities - ABC2D12E4_mC40_5_a_b_ab_12c_4c:Cr-Cu-Li-O-V, expected Li2V8CrCuO24 to be Li2V4CrCuO12" +mp-756355,Li3V4CuO12,-7.5267426045,-2.2506494003,0.0396869553,0.0396869553,GGA+U,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Cu-Li-O-V,20.0,"Invalid WP multiplicities - AB3C12D4_mC40_5_a_a2b_12c_4c:Cu-Li-O-V, expected Li3V8CuO24 to be Li3V4CuO12" +mp-776749,Li2V3CuO8,-7.5473624432,-2.2086281358,0.0765945988,0.0765945988,GGA+U,Cc,AB2C8D3_mC56_9_a_2a_8a_3a:Cu-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_9_a_3a_14a_5a:Cu-Li-O-V, expected Li3V5CuO14 to be Li2V3CuO8" +mp-773844,Li2V3CuO8,-7.5733360305,-2.2346017232,0.0506210115,0.0506210115,GGA+U,P4_3,AB2C8D3_tP56_78_a_2a_8a_3a:Cu-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_tP56_78_a_6a_30a_5a:Cu-Li-O-V, expected Li6V5CuO30 to be Li2V3CuO8" +mp-887127,Li2V3CuO8,-7.573810655,-2.2350763476,0.050146387,0.050146387,GGA+U,P4_32_12,AB2C8D3_tP56_96_a_b_4b_ab:Cu-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_tP56_96_a_b_29b_3a2b:Cu-Li-O-V, expected Li2V7CuO58 to be Li2V3CuO8" +mp-775190,Li2V3CuO8,-7.556279488599999,-2.2175451812,0.0676775535,0.0676775535,GGA+U,R3m,AB2C8D3_hR42_160_a_2a_2a2b_b:Cu-Li-O-V,14.0,AB2C8D3_hR42_160_a_2a_2a2b_b:Cu-Li-O-V +mp-850894,Li2V3CuO8,-7.5524655814,-2.213731274,0.0714914606,0.0714914606,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cu-Li-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2ch_d:Cu-Li-O-V, expected Li2V3CuO10 to be Li2V3CuO8" +mp-849418,Li3V3Cr2O10,-8.0341487064,-2.3812893251,0.0931752426,0.0931752426,GGA+U,P-1,A2B3C10D3_aP18_2_i_bi_5i_ei:Cr-Li-O-V,36.0,"Invalid WP multiplicities - A2B3C10D3_aP18_2_i_bi_5i_2e2i:Cr-Li-O-V, expected Li3V6Cr2O10 to be Li3V3Cr2O10" +mp-761047,Li10V3Cr5O16,-7.3616758979,-2.2512875566,0.0999349822,0.0999349822,GGA+U,P1,A5B10C16D3_aP34_1_5a_10a_16a_3a:Cr-Li-O-V,34.0,A5B10C16D3_aP34_1_5a_10a_16a_3a:Cr-Li-O-V +mp-778232,Li2V3Cr2O12,-8.1037197957,-2.3281448789,0.0273798857,0.0273798857,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Cr-Li-O-V,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_cd:Cr-Li-O-V, expected Li2V3Cr2O42 to be Li2V3Cr2O12" +mp-769589,LiV3CrO8,-8.4071202488,-2.3773357691,0.0929134892,0.0929134892,GGA+U,P1,ABC8D3_aP26_1_2a_2a_16a_6a:Cr-Li-O-V,26.0,ABC8D3_aP26_1_2a_2a_16a_6a:Cr-Li-O-V +mp-769577,Li2VCr3O8,-8.1383109564,-2.3215678205,0.0970557897,0.0970557897,GGA+U,P1,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Li-O-V,28.0,A3B2C8D_aP28_1_6a_4a_16a_2a:Cr-Li-O-V +mp-1177801,Li2VCr3O8,-8.1387690279,-2.3220258919,0.0965977183,0.0965977183,GGA+U,C2/m,A3B2C8D_mC28_12_ae_f_2ij_b:Cr-Li-O-V,28.0,"Invalid WP multiplicities - A3B2C8D_mC28_12_2a2f_e_2ij_b:Cr-Li-O-V, expected Li2VCr6O8 to be Li2VCr3O8" +mp-1177800,Li2VCr3O8,-8.2047162246,-2.3879730887,0.0306505215,0.0306505215,GGA+U,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-V,28.0,A3B2C8D_hR42_166_d_c_ch_a:Cr-Li-O-V +mp-771964,Li2VCr3O8,-8.1711173214,-2.3543741855,0.0642494247,0.0642494247,GGA+U,P6_3mc,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-V,28.0,A3B2C8D_hP28_186_c_ab_ab2c_b:Cr-Li-O-V +mp-774644,Li11V12(CuO4)12,-6.9568764012,-1.9371587801,0.0441876511,0.0441876511,GGA+U,C2/m,A12B11C48D12_mC166_12_ef2j_aghij_4i10j_2i2j:Cu-Li-O-V,83.0,"Invalid WP multiplicities - A12B11C48D12_mC166_12_2ef6j_ag2h2i3j_8i35j_4i8j:Cu-Li-O-V, expected Li23V40(Cu5O26)6 to be Li11V12(CuO4)12" +mp-849313,Li2VCr2O6,-8.0165453348,-2.3903654248,0.0531570484,0.0531570484,GGA+U,C2/m,A2B2C6D_mC66_12_ij_hj_3i3j_ag:Cr-Li-O-V,33.0,"Invalid WP multiplicities - A2B2C6D_mC66_12_2i2j_hj_6i8j_a2g:Cr-Li-O-V, expected Li6V5Cr12O44 to be Li2VCr2O6" +mp-756764,Li2VCr2O6,-7.9928937355,-2.3667138254,0.0768086478,0.0768086478,GGA+U,Cmce,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-V,22.0,A2B2C6D_oC44_64_d_e_fg_a:Cr-Li-O-V +mp-1275173,LiV2CrO6,-8.355261809,-2.4142703346,0.052716533,0.052716533,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Cr-Li-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Cr-Li-O-V +mp-1280737,LiV2CrO6,-8.357430541,-2.4164390666,0.050547801,0.050547801,GGA+U,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Cr-Li-O-V,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Cr-Li-O-V +mp-780611,LiV2CrO6,-8.301505091,-2.3605136166,0.106473251,0.106473251,GGA+U,C2/m,ABC6D2_mC60_12_ag_ci_3i3j_ij:Cr-Li-O-V,30.0,"Invalid WP multiplicities - ABC6D2_mC60_12_ag_c2i_6i10j_2i3j:Cr-Li-O-V, expected Li5V16Cr3O52 to be LiV2CrO6" +mp-863111,LiV2CrO6,-8.328681467,-2.3876899926,0.079296875,0.079296875,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Cr-Li-O-V,10.0,ABC6D2_hR30_146_a_a_2b_2a:Cr-Li-O-V +mp-776068,LiVCrO4,-8.1744411014,-2.3983509226,0.0625772193,0.0586221351,GGA+U,P1,ABC4D_aP21_1_3a_3a_12a_3a:Cr-Li-O-V,21.0,ABC4D_aP21_1_3a_3a_12a_3a:Cr-Li-O-V +mp-849267,LiVCrO4,-8.1492607279,-2.373170549,0.0877575929,0.0838025087,GGA+U,Imma,ABC4D_oI28_74_c_a_hi_b:Cr-Li-O-V,14.0,ABC4D_oI28_74_c_a_hi_b:Cr-Li-O-V +mp-756218,LiVCrO4,-8.2370183207,-2.4609281419,0.0,-0.0039550842,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-V,14.0,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-V +mp-1176540,LiVCrO4,-8.1582230293,-2.3821328505,0.0787952914,0.0748402073,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cr-Li-O-V,14.0,ABC4D_oI28_74_a_c_hi_e:Cr-Li-O-V +mp-781740,Li2V3CrO8,-8.1428869621,-2.4074497405,0.0822698963,0.0822698963,GGA+U,P-1,AB2C8D3_aP14_2_c_bh_4i_ade:Cr-Li-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_aP14_2_c_bh_7i_ade:Cr-Li-O-V, expected Li2V3CrO14 to be Li2V3CrO8" +mp-769590,Li2V3CrO8,-8.1639106725,-2.4284734508,0.061246186,0.061246186,GGA+U,P-1,AB2C8D3_aP28_2_i_aci_8i_3i:Cr-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_aP28_2_i_ac2i_16i_5i:Cr-Li-O-V, expected Li3V5CrO16 to be Li2V3CrO8" +mp-773082,Li2V3CrO8,-8.2166500346,-2.481212813,0.0085068238,0.0085068238,GGA+U,P2_1,AB2C8D3_mP56_4_2a_4a_16a_6a:Cr-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_mP56_4_3a_7a_31a_11a:Cr-Li-O-V, expected Li7V11Cr3O31 to be Li2V3CrO8" +mp-754935,Li2V3CrO8,-8.1546062486,-2.4191690269,0.0705506099,0.0705506099,GGA+U,Cm,AB2C8D3_mC28_8_a_2a_8a_3a:Cr-Li-O-V,14.0,AB2C8D3_mC28_8_a_2a_8a_3a:Cr-Li-O-V +mp-777666,Li2V3CrO8,-8.1986369736,-2.4631997519,0.0265198849,0.0265198849,GGA+U,Cc,AB2C8D3_mC56_9_a_2a_8a_3a:Cr-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_9_a_3a_14a_5a:Cr-Li-O-V, expected Li3V5CrO14 to be Li2V3CrO8" +mp-1275513,Li2V3CrO8,-8.2231418346,-2.487704613,0.0020150238,0.0020150238,GGA+U,C2/m,AB2C8D3_mC28_12_c_i_2ij_ae:Cr-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC28_12_c_i_3i3j_2a3e:Cr-Li-O-V, expected Li2V8CrO18 to be Li2V3CrO8" +mp-1277730,Li2V3CrO8,-8.2198969832,-2.4844597615,0.0052598753,0.0052598753,GGA+U,C2/c,AB2C8D3_mC56_15_c_f_4f_abe:Cr-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_15_c_f_9f_2abe:Cr-Li-O-V, expected Li2V4CrO18 to be Li2V3CrO8" +mp-1302892,Li2V3CrO8,-8.2233681029,-2.4879308812,0.0017887556,0.0017887556,GGA+U,C2/c,AB2C8D3_mC56_15_e_f_4f_abc:Cr-Li-O-V,28.0,"Invalid WP multiplicities - AB2C8D3_mC56_15_e_f_8f_2a2b2c:Cr-Li-O-V, expected Li2V6CrO16 to be Li2V3CrO8" +mp-850187,Li2V3CrO8,-8.192335575,-2.4568983533,0.0328212835,0.0328212835,GGA+U,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Cr-Li-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2ch_d:Cr-Li-O-V, expected Li2V3CrO10 to be Li2V3CrO8" +mp-850135,Li3V2Cr2O8,-7.9235513893,-2.4052723647,0.0571062364,0.0571062364,GGA+U,P-1,A2B3C8D2_aP15_2_cd_beg_4i_af:Cr-Li-O-V,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_cd_beg_7i_af:Cr-Li-O-V, expected Li3V2Cr2O14 to be Li3V2Cr2O8" +mp-849280,Li3V2Cr2O8,-7.9094593907,-2.391180366,0.0711982351,0.0711982351,GGA+U,C2/m,A2B3C8D2_mC30_12_ac_bf_2ij_e:Cr-Li-O-V,15.0,"Invalid WP multiplicities - A2B3C8D2_aP15_2_dg_abf_7i_ce:Cr-Li-O-V, expected Li3V2Cr2O14 to be Li3V2Cr2O8" +mp-774871,Li5V6(CuO4)6,-6.9695574548,-1.9119033122,0.046434429,0.046434429,GGA+U,P2_1/c,A6B5C24D6_mP82_14_3e_a2e_12e_3e:Cu-Li-O-V,82.0,"Invalid WP multiplicities - A6B5C24D6_mP82_14_10e_2a5e_47e_9e:Cu-Li-O-V, expected Li6V9Cu10O47 to be Li5V6(CuO4)6" +mp-755507,Li2V5CuO12,-7.886890132,-2.2520477676,0.0919453149,0.0919453149,GGA+U,C2,AB2C12D5_mC40_5_a_ab_6c_b2c:Cu-Li-O-V,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_5_a_ab_12c_b4c:Cu-Li-O-V, expected Li2V9CuO24 to be Li2V5CuO12" +mp-1570811,Li2V5CuO12,-7.915400048,-2.2805576836,0.0634353989,0.0634353989,GGA+U,C2,AB2C12D5_mC40_5_a_ab_6c_b2c:Cu-Li-O-V,20.0,AB2C12D5_mC40_5_a_ab_6c_b2c:Cu-Li-O-V +mp-756483,V4CrCuO12,-8.2613875133,-2.1809351269,0.2795177729,0.2795177729,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cr-Cu-O-V,18.0,ABC12D4_mC36_5_a_b_6c_2c:Cr-Cu-O-V +mp-760983,Li10V5Cr3O16,-7.367440442899999,-2.2905310075,0.0807289875,0.0807289875,GGA+U,Cm,A3B10C16D5_mC68_8_ab_6a2b_8a4b_3ab:Cr-Li-O-V,34.0,"Invalid WP multiplicities - A3B10C16D5_mC68_8_ab_6a3b_8a8b_3a2b:Cr-Li-O-V, expected Li12V7Cr3O24 to be Li10V5Cr3O16" +mp-778230,Li4V3Cr3(CuO8)2,-7.4996569114,-2.0999431683,0.6422123143,0.6422123143,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Cu-Li-O-V,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Cu-Li-O-V +mp-1216431,VCr(CuO2)2,-7.6592440344,-1.8189788187,0.5895228347,0.5895228347,GGA+U,C2/m,AB2C4D_mC16_12_a_i_2i_d:Cr-Cu-O-V,16.0,AB2C4D_mC16_12_a_i_2i_c:Cr-Cu-O-V +mp-777917,Li4V5Cu3O16,-7.2144528557,-2.0537435269,0.0967803375,0.0967803375,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Cu-Li-O-V,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Cu-Li-O-V, expected Li4V7Cu3O20 to be Li4V5Cu3O16" +mp-1177172,Li4V5Cr4O18,-8.2058577366,-2.3765735915,0.0863089781,0.0863089781,GGA+U,Pbam,A4B4C18D5_oP62_55_gh_2g_4g5h_agh:Cr-Li-O-V,62.0,"Invalid WP multiplicities - A4B4C18D5_oP62_55_3g2h_5g_12g20h_2a4g2h:Cr-Li-O-V, expected Li5V7Cr5O32 to be Li4V5Cr4O18" +mp-782662,Li2V5Cr2O12,-8.4834508217,-2.3927967475,0.0944345811,0.0944345811,GGA+U,P2_1,A2B2C12D5_mP42_4_2a_2a_12a_5a:Cr-Li-O-V,42.0,"Invalid WP multiplicities - A2B2C12D5_mP42_4_3a_4a_24a_10a:Cr-Li-O-V, expected Li4V10Cr3O24 to be Li2V5Cr2O12" +mp-755134,Li3V4CrO8,-8.0506170187,-2.3450576412,0.0468484576,0.0468484576,GGA+U,C2/m,AB3C8D4_mC32_12_a_de_2ij_bcf:Cr-Li-O-V,16.0,"Invalid WP multiplicities - AB3C8D4_mC32_12_a_df_4i2j_bce:Cr-Li-O-V, expected Li3V4CrO16 to be Li3V4CrO8" +mp-756826,Li5V3Cr2O10,-7.702445331,-2.4239796012,0.0363739122,0.0363739122,GGA+U,P-1,A2B5C10D3_aP20_2_i_b2i_5i_ei:Cr-Li-O-V,40.0,"Invalid WP multiplicities - A2B5C10D3_aP20_2_i_b2i_5i_2e2i:Cr-Li-O-V, expected Li5V6Cr2O10 to be Li5V3Cr2O10" +mp-754615,Li3VCr2O6,-7.752523058299999,-2.4361145685,0.0015298279,0.0015298279,GGA+U,C2/m,A2B3C6D_mC24_12_i_ai_3i_c:Cr-Li-O-V,24.0,A2B3C6D_mC24_12_i_ai_3i_d:Cr-Li-O-V +mp-780616,Li2V2CrO6,-7.9934932933,-2.4190535105,0.0626416727,0.0626416727,GGA+U,C2/m,AB2C6D2_mC66_12_ag_hj_3i3j_ij:Cr-Li-O-V,33.0,"Invalid WP multiplicities - AB2C6D2_mC66_12_a2g_h2j_6i8j_ij:Cr-Li-O-V, expected Li10V6Cr5O44 to be Li2V2CrO6" +mp-773065,Li5V5Cr2O12,-7.9229845558,-2.3550468826,0.0568363815,0.0568363815,GGA+U,C2,A2B5C12D5_mC48_5_ab_a2c_6c_a2bc:Cr-Li-O-V,24.0,"Invalid WP multiplicities - A2B5C12D5_mC48_5_ab_a4c_6c_a2bc:Cr-Li-O-V, expected Li9V5Cr2O12 to be Li5V5Cr2O12" +mp-1177207,Li4V5Cr3O16,-8.1977168286,-2.4419531283,0.033370761,0.033370761,GGA+U,P1,A3B4C16D5_aP28_1_3a_4a_16a_5a:Cr-Li-O-V,28.0,A3B4C16D5_aP28_1_3a_4a_16a_5a:Cr-Li-O-V +mp-777002,Li4V5Cr3O16,-8.2043128582,-2.448549158,0.0267747314,0.0267747314,GGA+U,Cm,A3B4C16D5_mC56_8_ab_4a_8a4b_3ab:Cr-Li-O-V,28.0,"Invalid WP multiplicities - A3B4C16D5_mC56_8_ab_4a_8a6b_3a2b:Cr-Li-O-V, expected Li4V7Cr3O20 to be Li4V5Cr3O16" +mp-775818,Li4V3Cr5O16,-8.1944810693,-2.3980644119,0.043736705,0.043736705,GGA+U,Cm,A5B4C16D3_mC56_8_3ab_4a_8a4b_ab:Cr-Li-O-V,28.0,"Invalid WP multiplicities - A5B4C16D3_mC56_8_3a2b_4a_8a6b_a2b:Cr-Li-O-V, expected Li4V5Cr7O20 to be Li4V3Cr5O16" +mp-780707,Li4V5Cr2O12,-8.1115569454,-2.3845316719,0.0609040192,0.0609040192,GGA+U,P2_1,A2B4C12D5_mP46_4_2a_4a_12a_5a:Cr-Li-O-V,46.0,"Invalid WP multiplicities - A2B4C12D5_mP46_4_3a_8a_24a_10a:Cr-Li-O-V, expected Li8V10Cr3O24 to be Li4V5Cr2O12" +mp-1221582,Na4V20(CuO4)15,-7.3918580659,-1.884205083,0.0989677819,0.0989677819,GGA+U,R-3,A15B4C60D20_hR297_148_d2f_2c_10f_a2ce2f:Cu-Na-O-V,99.0,"Invalid WP multiplicities - A15B4C60D20_hR297_148_3d9f_3c_60f_a3c3e9f:Cu-Na-O-V, expected Na6V70(Cu7O40)9 to be Na4V20(CuO4)15" +mp-694896,NaCa2V3(CuO6)2,-7.3416252012,-2.3344191443,0.0492419473,0.0492419473,GGA+U,I4_1/acd,A2B2CD12E3_tI160_142_e_c_b_3g_ae:Ca-Cu-Na-O-V,80.0,"Invalid WP multiplicities - A2B2CD12E3_tI160_142_e_c_b_30g_3a2e:Ca-Cu-Na-O-V, expected NaCa2V7(CuO60)2 to be NaCa2V3(CuO6)2" +mp-1210050,NaV4(CuO4)3,-7.3828206925,-1.9170189866,0.0776036305,0.0776036305,GGA+U,Im-3,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-V,20.0,A3BC12D4_cI40_204_b_a_g_c:Cu-Na-O-V +mp-775191,Fe3Cu(PO4)4,-7.6165584792,-2.1869959914,0.0431455146,0.0431455146,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cu-Fe-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cu-Fe-O-P +mp-757692,Fe3Co2Cu(PO4)6,-7.5293835322,-2.1147654767,0.0726303479,0.0726303479,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Co-Cu-Fe-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_20b_2b:Co-Cu-Fe-O-P, expected Fe3Co2Cu(PO10)6 to be Fe3Co2Cu(PO4)6" +mp-775297,FeCu3(PO4)4,-7.0413448617,-1.9760169189,0.0292113451,0.0292113451,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Fe-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Fe-O-P +mp-510036,Fe2Cu(P2O7)2,-7.6600095526,-2.3292428348,0.0,-0.0290769031,GGA+U,P2_1/c,AB2C14D4_mP42_14_a_e_7e_2e:Cu-Fe-O-P,42.0,"Invalid WP multiplicities - AB2C14D4_mP42_14_a_e_8e_2e:Cu-Fe-O-P, expected Fe2Cu(PO4)4 to be Fe2Cu(P2O7)2" +mp-558889,Fe5Cu2(PO4)6,-7.6526787265,-2.20000674,0.0282172776,0.0282172776,GGA+U,P-1,A2B5C24D6_aP37_2_i_a2i_12i_3i:Cu-Fe-O-P,37.0,"Invalid WP multiplicities - A2B5C24D6_aP37_2_i_a4i_23i_6i:Cu-Fe-O-P, expected Fe9Cu2(P6O23)2 to be Fe5Cu2(PO4)6" +mp-505811,FeCuPO5,-7.2934412753,-1.9539445324,0.0334120459,0.0334120459,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Cu-Fe-O-P,32.0,ABC5D_oP32_62_a_c_3cd_c:Cu-Fe-O-P +mp-1193267,Fe2Cu(PO5)2,-7.3551747647,-1.9329920169,0.0742554402,0.0742554402,GGA+U,P2_1/c,AB2C10D2_mP30_14_a_e_5e_e:Cu-Fe-O-P,30.0,AB2C10D2_mP30_14_a_e_5e_e:Cu-Fe-O-P +mp-775137,CoCu3(PO4)4,-6.9093360712,-1.9007457708,0.033462868,0.033462868,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Cu-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Co-Cu-O-P +mp-761614,CoCu(PO4)2,-7.0635823438,-1.9296124131,0.0584832469,0.0584832469,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Co-Cu-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Co-Cu-O-P, expected CoCu(PO5)3 to be CoCu(PO4)2" +mp-757713,Fe3CoCu2(PO4)6,-7.4083170258,-2.0772853904,0.0798939504,0.0798939504,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Co-Cu-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_20b_2b:Co-Cu-Fe-O-P, expected Fe3CoCu2(PO10)6 to be Fe3CoCu2(PO4)6" +mp-775167,FeCu(PO4)2,-7.3350311637,-2.0875859485,0.037365322,0.037365322,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cu-Fe-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Cu-Fe-O-P, expected FeCu(PO5)3 to be FeCu(PO4)2" +mp-768377,FeCu(PO4)2,-7.2915942797,-2.0441490644,0.0808022061,0.0808022061,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Cu-Fe-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Cu-Fe-O-P, expected FeCu(PO10)2 to be FeCu(PO4)2" +mp-1201149,Fe2Cu8P4O21,-6.740855452,-1.7332163451,0.0417017916,0.0417017916,GGA+U,C2/m,A8B2C21D4_mC70_12_2ij_e_a6i2j_2i:Cu-Fe-O-P,35.0,A8B2C21D4_mC70_12_2ij_f_a6i2j_2i:Cu-Fe-O-P +mp-21403,CoCuP2O7,-7.2789460664,-2.1279505703,0.0141121939,0.0141121939,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Co-Cu-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Co-Cu-O-P +mp-1181826,CoCuP2O7,-7.2655790827,-2.1145835866,0.0274791775,0.0274791775,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Co-Cu-O-P,11.0,ABC7D2_mC22_5_a_a_b3c_c:Co-Cu-O-P +mp-775240,Fe2Cu(PO4)3,-7.4887801875,-2.1199234572,0.0751546369,0.0751546369,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Cu-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Cu-Fe-O-P, expected Fe2Cu(PO26)3 to be Fe2Cu(PO4)3" +mp-771903,Fe5Cu(PO4)6,-7.6929950939,-2.2027268486,0.0624780691,0.0624780691,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Cu-Fe-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Cu-Fe-O-P, expected Fe5Cu(PO10)6 to be Fe5Cu(PO4)6" +mp-775177,Co3Cu(PO4)4,-7.2307187604,-1.9713691995,0.0706134816,0.0706134816,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Cu-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Co-Cu-O-P +mp-1226029,Fe14Cu7(PO4)18,-7.6127196179,-2.199424339,0.0131917158,0.0131917158,GGA+U,P-1,A7B14C72D18_aP111_2_a3i_7i_36i_9i:Cu-Fe-O-P,111.0,"Invalid WP multiplicities - A7B14C72D18_aP111_2_a6i_13i_72i_18i:Cu-Fe-O-P, expected Fe26Cu13(PO4)36 to be Fe14Cu7(PO4)18" +mp-560912,Ba7Ca2Mn3V2O20,-7.5962266909,-2.8305897326,0.0,-0.0135514407,GGA+U,R-3m,A7B2C3D20E2_hR102_166_a3c_c_bc_c3h_c:Ba-Ca-Mn-O-V,34.0,"Invalid WP multiplicities - A7B2C3D20E2_hR102_166_a4c_c_bc_2c13h_c:Ba-Ca-Mn-O-V, expected Ba9Ca2Mn3V2O82 to be Ba7Ca2Mn3V2O20" +mp-19484,BaCaV2O7,-8.0723192675,-2.9160276367,9.02335e-05,9.02335e-05,GGA+U,Pnma,ABC7D2_oP44_62_c_c_3c2d_2c:Ba-Ca-O-V,44.0,"Invalid WP multiplicities - ABC7D2_oP44_62_c_c_3c2d_5c:Ba-Ca-O-V, expected BaCaV5O7 to be BaCaV2O7" +mp-1044444,BaCaV4O8,-8.320861055,-2.6184532843,0.127558895,0.127558895,GGA+U,P-31m,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-V,14.0,ABC8D4_hP14_162_a_b_ck_h:Ba-Ca-O-V +mp-770978,Na2SiSbCO7,-6.9099592642,-2.2387212368,0.0797082152,0.0797082152,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-Sb-Si,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-Sb-Si, expected Na2SiSbCO13 to be Na2SiSbCO7" +mp-772595,NaSiSbCO7,-7.2272906664,-2.2516242087,0.0594942518,0.0594942518,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-Sb-Si,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-Sb-Si, expected NaSiSbCO13 to be NaSiSbCO7" +mp-772713,Na3SiSbCO7,-6.6841286258,-2.2704838856,0.0318878511,0.0318878511,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-Sb-Si,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-Sb-Si, expected Na4SiSbCO13 to be Na3SiSbCO7" +mp-14730,NaSiSbO5,-6.939288475,-2.48800246,0.0259064487,0.0259064487,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Na-O-Sb-Si,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_2a_13a_2a_2a:Na-O-Sb-Si, expected Na2Si2Sb2O13 to be NaSiSbO5" +mp-1220979,NaNi4(PO4)3,-7.169498782,-2.1673365786,0.0141363381,0.0141363381,GGA+U,Cmc2_1,AB4C12D3_oC80_36_a_2ab_6a3b_3a:Na-Ni-O-P,,"Invalid WP multiplicities - AB4C12D3_oC80_36_a_3ab_8a7b_4a:Na-Ni-O-P, expected NaNi5(P2O11)2 to be NaNi4(PO4)3" +mp-21966,NaNi4(PO4)3,-7.1673525229,-2.1651903195,0.0162825973,0.0162825973,GGA+U,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:Na-Ni-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_58_g_2g2h_6g5h_6g:Na-Ni-O-P, expected NaNi6(P3O8)2 to be NaNi4(PO4)3" +mp-557716,NaNi(PO3)3,-7.3228153403,-2.4754747764,0.0,-0.0008615338,GGA+U,Pcca,ABC9D3_oP112_54_f_ae_cd8f_3f:Na-Ni-O-P,112.0,"Invalid WP multiplicities - ABC9D3_oP112_54_f_3a4e_4c3d59f_15f:Na-Ni-O-P, expected Na2Ni7(P6O25)5 to be NaNi(PO3)3" +mp-1222793,NaNi4(P2O11)2,-6.2084009137,-1.2108707948,0.4997902247,0.4997902247,GGA+U,P2_1,AB4C22D4_mP62_4_a_4a_22a_4a:Na-Ni-O-P,62.0,AB4C22D4_mP62_4_a_4a_22a_4a:Na-Ni-O-P +mp-1201128,Na4Ni(PO4)6,-6.4413183803,-1.8050160385,0.3173506764,0.3173506764,GGA+U,P-1,A4BC24D6_aP35_2_2i_a_12i_3i:Na-Ni-O-P,35.0,A4BC24D6_aP35_2_2i_a_12i_3i:Na-Ni-O-P +mp-14298,Zr6Ni20P13,-6.9632257918,-0.8795881003,0.0,-0.0311981344,GGA,P-6,A20B13C6_hP39_174_ad3j3k_e2j2k_jk:Ni-P-Zr,39.0,"Invalid WP multiplicities - A20B13C6_hP39_174_ad4j6k_e3j3k_jk:Ni-P-Zr, expected Zr6Ni32P19 to be Zr6Ni20P13" +mp-1291397,MnZn2WO6,-7.3850924625,-1.9531159615,0.0939487435,0.0939487435,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mn-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_d_e:Mn-O-W-Zn +mp-1047316,MnZn2WO6,-7.415499966,-1.983523465,0.06354124,0.06354124,GGA+U,R3,AB6CD2_hR30_146_a_2b_a_2a:Mn-O-W-Zn,20.0,AB6CD2_hR30_146_a_2b_a_2a:Mn-O-W-Zn +mp-2217882,MgMnZn2WO6,-7.1086344673,-2.0249940073,0.1114488289,0.1114488289,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-W-Zn +mp-2217764,MgMnZn2WO6,-7.0831621073,-1.9995216473,0.1369211889,0.1369211889,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-W-Zn +mp-2217797,MgMnZn2WO6,-7.1031471491,-2.0195066891,0.116936147,0.116936147,GGA+U,R3,ABC6DE2_hR33_146_a_a_2b_a_2a:Mg-Mn-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Mg-Mn-O-W-Zn +mp-556532,CaAlB3O7,-8.1680847592,-3.1334037591,0.0164166424,0.0164166424,GGA,Cmme,AB3CD7_oC48_67_c_bm_e_gmo:Al-B-Ca-O,24.0,"Invalid WP multiplicities - AB3CD7_oC48_67_c_2b2m_e_g3m3o:Al-B-Ca-O, expected CaAlB6O19 to be CaAlB3O7" +mp-1197323,CaZrAl9BO18,-8.1138280047,-3.4477189529,0.0033004748,0.0033004748,GGA,P6_3,A9BCD18E_hP60_173_3c_b_a_6c_b:Al-B-Ca-O-Zr,60.0,A9BCD18E_hP60_176_hi_c_b_2h2i_d:Al-B-Ca-O-Zr +mp-559642,CaZrAl9BO18,-8.1139454677,-3.4478364159,0.0031830118,0.0031830118,GGA,P6_3/m,A9BCD18E_hP60_176_hi_c_b_2h2i_d:Al-B-Ca-O-Zr,60.0,"Invalid WP multiplicities - A9BCD18E_hP60_176_4h4i_c_b_9h17i_d:Al-B-Ca-O-Zr, expected CaZrAl36BO129 to be CaZrAl9BO18" +mp-559759,CaAlBO4,-7.9255329343,-3.3230583163,0.0,-0.0079363143,GGA,Ccc2,ABCD4_oC56_37_d_d_d_4d:Al-B-Ca-O,28.0,"Invalid WP multiplicities - ABCD4_oC56_37_d_d_d_12d:Al-B-Ca-O, expected CaAlBO12 to be CaAlBO4" +mp-557689,CaAl2B2O7,-8.0584284358,-3.2682320975,0.0,-0.0020482561,GGA,R-3c,A2B2CD7_hR72_167_c_c_b_af:Al-B-Ca-O,24.0,"Invalid WP multiplicities - A2B2CD7_hR72_167_c_c_b_2a2f:Al-B-Ca-O, expected CaAl2(BO7)2 to be CaAl2B2O7" +mp-1233000,Rb4Li(Se2O7)2,-5.45176593,-1.5792291028,0.0701036651,0.0701036651,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se +mp-1235126,Rb4Li(Se2O7)2,-5.4610915496,-1.5885547224,0.0607780456,0.0607780456,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se +mp-1235350,Rb4Li(Se2O7)2,-5.4483608496,-1.5758240224,0.0735087456,0.0735087456,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se +mp-1236236,Rb4Li(Se2O7)2,-5.4525534583,-1.5800166311,0.0693161369,0.0693161369,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Li-O-Rb-Se +mp-1235603,Rb4Li(Se2O7)2,-5.4089995939,-1.5364627667,0.1128700012,0.1128700012,GGA,P-1,AB14C4D4_aP23_2_a_7i_2i_2i:Li-O-Rb-Se,23.0,"Invalid WP multiplicities - AB14C4D4_aP23_2_a_13i_4i_4i:Li-O-Rb-Se, expected Rb8Li(Se4O13)2 to be Rb4Li(Se2O7)2" +mp-1235191,Rb4Li(Se2O7)2,-5.4333168791,-1.560780052,0.088552716,0.088552716,GGA,C2,AB14C4D4_mC46_5_a_ab6c_2c_2c:Li-O-Rb-Se,23.0,AB14C4D4_mC46_5_a_ab6c_2c_2c:Li-O-Rb-Se +mp-1235685,Rb4Li(Se2O7)2,-5.4230696022,-1.5505327750000002,0.098799993,0.098799993,GGA,C2,AB14C4D4_mC46_5_a_ab6c_2c_2c:Li-O-Rb-Se,23.0,AB14C4D4_mC46_5_a_ab6c_2c_2c:Li-O-Rb-Se +mp-9250,RbLiSe,-3.4659127683,-1.3374566294,0.0,-0.02491261,GGA,P4/nmm,ABC_tP6_129_a_c_c:Li-Rb-Se,6.0,ABC_tP6_129_a_c_c:Li-Rb-Se +mp-1209608,Rb2LiSe2,-2.397560954,-0.2251981606,1.0429675453,1.0429675453,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Li-Rb-Se,5.0,AB2C2_tP5_123_a_g_g:Li-Rb-Se +mp-1219652,Rb3H(SeO4)2,-5.4388295579,-1.6602823502,0.0,-0.0051732954,GGA,Cc,AB8C3D2_mC56_9_a_8a_3a_2a:H-O-Rb-Se,28.0,AB8C3D2_mC56_9_a_8a_3a_2a:H-O-Rb-Se +mp-1219655,Rb3H(SeO4)2,-5.4347797221,-1.6562325144,0.0040498357,-0.0011234596,GGA,C2/m,AB8C3D2_mC28_12_a_2ij_bi_i:H-O-Rb-Se,14.0,"Invalid WP multiplicities - AB8C3D2_mC28_12_a_3i2j_bi_i:H-O-Rb-Se, expected Rb3H(SeO7)2 to be Rb3H(SeO4)2" +mp-23897,Rb3H(SeO4)2,-5.4387236318,-1.6601764241,0.0001059261,-0.0050673693,GGA,C2/c,AB8C3D2_mC56_15_a_4f_ef_f:H-O-Rb-Se,28.0,AB8C3D2_mC56_15_c_4f_ef_f:H-O-Rb-Se +mp-695829,RbHSeO4,-5.4572641848,-1.5064175505,0.0005114624,-0.0104017917,GGA,P1,AB4CD_aP21_1_3a_12a_3a_3a:H-O-Rb-Se,21.0,AB4CD_aP21_1_3a_12a_3a_3a:H-O-Rb-Se +mp-696794,RbHSeO4,-5.4577756471,-1.5069290128,0.0,-0.0109132541,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:H-O-Rb-Se,28.0,AB4CD_oP28_19_a_4a_a_a:H-O-Rb-Se +mp-1205457,RbH3(SeO3)2,-5.3425206235000005,-1.356631671,0.0497214437,0.0135917771,GGA,P2_12_12,A3B6CD2_oP48_18_3c_6c_c_2c:H-O-Rb-Se,48.0,A3B6CD2_oP48_18_3c_6c_c_2c:H-O-Rb-Se +mp-720572,RbH3(SeO3)2,-5.3382380133,-1.3523490608,0.054004054,0.0178743873,GGA,P2_12_12_1,A3B6CD2_oP96_19_6a_12a_2a_4a:H-O-Rb-Se,96.0,A3B6CD2_oP96_19_6a_12a_2a_4a:H-O-Rb-Se +mp-24022,RbH3(SeO3)2,-5.3922420673,-1.4063531148,0.0,-0.0361296667,GGA,P2_12_12_1,A3B6CD2_oP48_19_3a_6a_a_2a:H-O-Rb-Se,48.0,A3B6CD2_oP48_19_3a_6a_a_2a:H-O-Rb-Se +mp-1209193,SrPb2Br6O5,-3.7238657211,-0.6405513547,0.6554043863,0.6554043863,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_e:Br-O-Pb-Sr,28.0,A6B5C2D_mC56_15_3f_e2f_f_e:Br-O-Pb-Sr +mp-1198495,SrH10Pb2Br6O5,-4.6602810337000005,-1.4480451346,0.0107022968,0.0107022968,GGA,C2/c,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Br-H-O-Pb-Sr,48.0,A6B10C5D2E_mC96_15_3f_5f_e2f_f_e:Br-H-O-Pb-Sr +mp-643727,HPbBrO,-4.7936576462,-1.3923851072,0.0,-0.0080915073,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Br-H-O-Pb,16.0,ABCD_oP16_62_c_c_c_c:Br-H-O-Pb +mp-30177,Y(Al2Cr)4,-5.9871766108,-0.2146175621,0.0116083212,0.0116083212,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cr-Y,13.0,A8B4C_tI26_139_ij_f_a:Al-Cr-Y +mp-1046696,Sr2YAlCr2O7,-8.183138175,-2.9889881928,0.0669889094,0.0669889094,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Cr-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Cr-O-Sr-Y +mp-1207891,Y3Al3Cr2O12,-8.8871484731,-3.4220234579,0.0,-0.0156797748,GGA+U,Ia-3d,A3B2C12D3_cI160_230_d_a_h_c:Al-Cr-O-Y,80.0,A3B2C12D3_cI160_230_d_a_h_c:Al-Cr-O-Y +mp-1216209,Y3(Al7Cr2)4,-5.3793896769,-0.2127251554,0.0178367154,0.0178367154,GGA,C2/m,A28B8C3_mC78_12_abi6j_fij_ci:Al-Cr-Y,39.0,"Invalid WP multiplicities - A28B8C3_mC78_12_abi20j_2ei2j_ci:Al-Cr-Y, expected Y3(Al6Cr)14 to be Y3(Al7Cr2)4" +mp-1204650,Y(Al10Cr)2,-4.5185043804,-0.1409355694,0.0136219027,0.0136219027,GGA,Fd-3m,A20B2C_cF184_227_cfg_d_a:Al-Cr-Y,46.0,A20B2C_cF184_227_cfg_d_a:Al-Cr-Y +mp-1203616,Y6Al43Cr4,-4.7711102648,-0.2716616375,0.0,-0.0091935402,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Y,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Cr-Y +mp-1215140,CrGaMo6(H19O20)2,-6.2152975555,-1.5112721797000002,0.0151584023,0.0151584023,GGA+U,P-1,ABC38D6E40_aP86_2_b_c_19i_3i_20i:Cr-Ga-H-Mo-O,86.0,ABC38D6E40_aP86_2_b_c_19i_3i_20i:Cr-Ga-H-Mo-O +mp-1194945,Ba3V4CoO14,-7.9833574784,-2.5990616215,0.0929010849,0.0929010849,GGA+U,P2_1/c,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Co-O-V,88.0,A3BC14D4_mP88_14_3e_e_14e_4e:Ba-Co-O-V +mp-23094,Ba5V3ClO12,-7.7154919433,-3.0461874621,0.0,-0.0301699329,GGA+U,P6_3/m,A5BC12D3_hP42_176_fh_b_2hi_h:Ba-Cl-O-V,42.0,A5BC12D3_hP42_176_fh_b_2hi_h:Ba-Cl-O-V +mp-1198636,Ba5V4(ClO7)2,-7.6783982865,-2.9231497162,0.0055866277,0.0055866277,GGA+U,Pmmn,A5B2C14D4_oP100_59_abefg_abe_abe2f5g_2fg:Ba-Cl-O-V,100.0,A5B2C14D4_oP100_59_abefg_abe_abe2f5g_2fg:Ba-Cl-O-V +mp-19504,BaV2(CoO4)2,-7.9743231065,-2.2914821558,0.0,-0.0117616463,GGA+U,I4_1/acd,AB2C8D2_tI104_142_a_f_2g_e:Ba-Co-O-V,52.0,AB2C8D2_tI104_142_a_f_2g_e:Ba-Co-O-V +mp-559481,BaVClO3,-7.3866102267,-2.771362926,0.0,-0.0083904747,GGA+U,Pnma,ABC3D_oP24_62_c_c_cd_c:Ba-Cl-O-V,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_2c3d_c:Ba-Cl-O-V, expected BaVClO8 to be BaVClO3" +mp-1194914,Ba7V6CoCl4O21,-7.5415628531,-2.7641477666,0.0356875676,0.0356875676,GGA+U,Cmcm,A7B4CD21E6_oC156_63_cgh_fg_a_cfg4h_fh:Ba-Cl-Co-O-V,78.0,A7B4CD21E6_oC156_63_cgh_fg_a_cfg4h_fh:Ba-Cl-Co-O-V +mp-758912,TiMn3Te2(PO4)6,-7.7879633028,-2.430505142,0.0856069238,0.0856069238,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Mn-O-P-Te-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Mn-O-P-Te-Ti, expected TiMn3Te2(PO10)6 to be TiMn3Te2(PO4)6" +mp-690946,YbZr7Si7PO32,-8.9495900529,-3.4692133828,0.018202952,0.018202952,GGA,C222,A32BC7DE7_oC192_21_16l_k_adi2j3k_k_bc2ij3k:O-P-Si-Yb-Zr,,"Invalid WP multiplicities - A32BC7DE7_oC192_21_59l_k_ad2i4j6k_k_bc4i2j5k:O-P-Si-Yb-Zr, expected YbZr12Si13PO118 to be YbZr7Si7PO32" +mp-578953,YbZr6(PO4)9,-8.5822662894,-3.2048369005,0.0,-0.0161768383,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Yb-Zr,,"Invalid WP multiplicities - A36B9CD6_hP104_165_63g_4f5g_b_3c7d:O-P-Yb-Zr, expected YbZr20(PO9)42 to be YbZr6(PO4)9" +mp-1044037,ZnFe3(P2O7)2,-7.6782344466,-2.3338408455,0.0550101862,0.0550101862,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Fe-O-P-Zn,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Fe-O-P-Zn +mp-1101161,ZnFe(PO4)2,-7.2151093071,-2.2042860135,0.0789678172,0.0789678172,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Zn,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Fe-O-P-Zn, expected ZnFe(PO5)3 to be ZnFe(PO4)2" +mp-1216151,Zn3Fe9(PO4)8,-7.719429019,-2.3038543934,0.0124751605,0.0124751605,GGA+U,P-1,A9B32C8D3_aP52_2_a4i_16i_4i_ci:Fe-O-P-Zn,52.0,"Invalid WP multiplicities - A9B32C8D3_aP52_2_a8i_32i_8i_ci:Fe-O-P-Zn, expected Zn3Fe17(PO4)16 to be Zn3Fe9(PO4)8" +mp-1120760,ZnFe2(P2O7)2,-7.6100813888,-2.4145271977,0.0,-0.0085009769,GGA+U,Pnma,A2B14C4D_oP84_62_d_2c6d_2d_c:Fe-O-P-Zn,84.0,A2B14C4D_oP84_62_d_2c6d_2d_c:Fe-O-P-Zn +mp-1044279,TiZnFe(PO4)3,-7.8086733131,-2.6294828191,0.0130064098,0.0130064098,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Fe-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Fe-O-P-Ti-Zn, expected TiZnFe(PO18)3 to be TiZnFe(PO4)3" +mp-1046713,ZnFePO5,-7.158012745,-2.1734488846,0.0522393287,0.0522393287,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Fe-O-P-Zn,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Fe-O-P-Zn +mp-1207884,ZnFePO5,-7.168608741,-2.1840448807,0.0416433327,0.0416433327,GGA+U,P2_1/c,AB5CD_mP128_14_4e_20e_4e_4e:Fe-O-P-Zn,128.0,AB5CD_mP128_14_4e_20e_4e_4e:Fe-O-P-Zn +mp-1207546,Zn3FeP3O14,-6.5924541917,-1.9380350718,0.1989765223,0.1989765223,GGA+U,P-1,AB14C3D3_aP42_2_i_14i_3i_3i:Fe-O-P-Zn,42.0,AB14C3D3_aP42_2_i_14i_3i_3i:Fe-O-P-Zn +mp-1197187,Zn2Fe(PO6)2,-6.2008492103,-1.4257681527,0.4178421173,0.4178421173,GGA+U,P2_1/c,AB12C2D2_mP34_14_a_6e_e_e:Fe-O-P-Zn,34.0,AB12C2D2_mP34_14_a_6e_e_e:Fe-O-P-Zn +mp-850540,ZnFe2(PO4)3,-7.4460758901,-2.2349671076,0.0656460266,0.0656460266,GGA+U,Pm,A2B12C3D_mP72_6_3a5b_12a12b12c_6a6b_3ab:Fe-O-P-Zn,72.0,A2B12C3D_mP72_6_3a5b_12a12b12c_6a6b_3ab:Fe-O-P-Zn +mp-1047809,ZnFe3P3O13,-7.6009382658,-2.2401048654,0.0513694647,0.0513694647,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Fe-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Fe-O-P-Zn, expected ZnFe5P3O34 to be ZnFe3P3O13" +mp-1376100,ZnFeP2O7,-7.3992115636,-2.3825578534,0.0213461991,0.0213461991,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Fe-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Fe-O-P-Zn +mp-1042054,ZnFeP2O7,-7.405400002,-2.3887462919,0.0151577607,0.0151577607,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Fe-O-P-Zn,44.0,AB7C2D_aP22_2_i_7i_2i_i:Fe-O-P-Zn +mp-1048270,ZnFeP2O7,-7.411916548,-2.3952628378,0.0086412148,0.0086412148,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Fe-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Fe-O-P-Zn, expected ZnFeP7O23 to be ZnFeP2O7" +mp-1201819,Zn4Fe5(P3O14)2,-7.160858663,-2.082342862,0.1264098567,0.1264098567,GGA+U,P-1,A5B28C6D4_aP43_2_a2i_14i_3i_2i:Fe-O-P-Zn,43.0,A5B28C6D4_aP43_2_a2i_14i_3i_2i:Fe-O-P-Zn +mp-1216364,Zn5Fe3(P3O14)2,-6.7941104029,-1.9680180068,0.180329815,0.180329815,GGA+U,P1,A3B28C6D5_aP42_1_3a_28a_6a_5a:Fe-O-P-Zn,42.0,A3B28C6D5_aP42_1_3a_28a_6a_5a:Fe-O-P-Zn +mp-1353483,ZnFe2(PO4)2,-7.5440229506,-2.2671075096,0.0556576753,0.0556576753,GGA+U,C2,A2B8C2D_mC104_5_ab3c_16c_4c_2c:Fe-O-P-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mC104_5_ab5c_32c_8c_2c:Fe-O-P-Zn, expected ZnFe3(PO4)4 to be ZnFe2(PO4)2" +mp-1043971,ZnFe2(PO5)2,-7.1755098753,-1.9426246649,0.1785417454,0.1785417454,GGA+U,Fddd,A2B10C2D_oF120_70_c_e2h_e_b:Fe-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_70_c_2e8h_e_b:Fe-O-P-Zn, expected ZnFe2(PO18)2 to be ZnFe2(PO5)2" +mp-770591,Li3MnAlO4,-6.7272656003,-2.4582528706,0.0540035773,0.0540035773,GGA+U,I4_1/a,AB3CD4_tI144_88_f_3f_f_4f:Al-Li-Mn-O,72.0,"Invalid WP multiplicities - AB3CD4_tI144_88_f_14f_f_21f:Al-Li-Mn-O, expected Li14MnAlO21 to be Li3MnAlO4" +mp-770386,LiMnAlO4,-7.4823201818,-2.5389960627,0.0431442179,0.0431442179,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:Al-Li-Mn-O,28.0,ABCD4_oP28_62_c_c_c_4c:Al-Li-Mn-O +mp-770387,LiMnAlO4,-7.4546407507,-2.5113166316,0.070823649,0.070823649,GGA+U,P4_322,ABCD4_tP28_95_c_a_b_2d:Al-Li-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_tP28_95_c_a_b_3d:Al-Li-Mn-O, expected LiMnAlO6 to be LiMnAlO4" +mp-1235056,LiAl2(HO2)2,-6.24025371,-2.2433335476,0.3034312569,0.3034312569,GGA,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Al-H-Li-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Al-H-Li-O +mp-1236333,LiAl2(HO2)2,-6.2719321778,-2.2750120154,0.2717527892,0.2717527892,GGA,Imm2,A2B2CD4_oI18_44_c_c_a_2c:Al-H-Li-O,9.0,A2B2CD4_oI18_44_c_c_a_2c:Al-H-Li-O +mp-1097903,Mn2HO4,-7.6615454121,-1.7324723444,0.0360738682,0.0360738682,GGA+U,P1,AB2C4_aP56_1_8a_16a_32a:H-Mn-O,56.0,AB2C4_aP56_1_8a_16a_32a:H-Mn-O +mp-1003765,Mn2HO4,-7.6701322436,-1.7410591758,0.0274870367,0.0274870367,GGA+U,Cc,AB2C4_mC84_9_3a_6a_12a:H-Mn-O,42.0,AB2C4_mC84_9_6a_12a_24a:H-Mn-O +mp-625393,Mn2HO4,-7.677023635,-1.7479505673,0.0205956453,0.0205956453,GGA+U,Pmc2_1,AB2C4_oP14_26_a_ab_2a2b:H-Mn-O,14.0,AB2C4_oP14_26_a_ab_2a2b:H-Mn-O +mp-1003920,Mn2HO4,-7.6846591775,-1.7555861098,0.0129601028,0.0129601028,GGA+U,Pnma,AB2C4_oP28_62_c_ac_2cd:H-Mn-O,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_ac_6c2d:H-Mn-O, expected Mn2HO10 to be Mn2HO4" +mp-1080222,Mn2HO4,-7.6594495255,-1.7303764578,0.0381697548,0.0381697548,GGA+U,P4_2/n,AB2C4_tP56_86_g_2g_4g:H-Mn-O,56.0,"Invalid WP multiplicities - AB2C4_tP56_86_g_10g_21g:H-Mn-O, expected Mn10HO21 to be Mn2HO4" +mp-1080220,Mn12HO24,-8.0511035824,-1.779280917,0.0201830713,0.0201830713,GGA+U,Pc,AB12C24_mP74_7_a_12a_24a:H-Mn-O,74.0,"Invalid WP multiplicities - AB12C24_mP74_7_a_24a_48a:H-Mn-O, expected Mn24HO48 to be Mn12HO24" +mp-1003317,Mn3HO6,-7.812183409,-1.7562929901,0.0236927995,0.0236927995,GGA+U,Cm,AB3C6_mC20_8_a_3a_6a:H-Mn-O,10.0,AB3C6_mC20_8_a_3a_6a:H-Mn-O +mp-1080246,Mn6HO12,-7.9690785397,-1.7730215749,0.0196079577,0.0196079577,GGA+U,Cc,AB6C12_mC76_9_a_6a_12a:H-Mn-O,38.0,"Invalid WP multiplicities - AB6C12_mC76_9_a_12a_24a:H-Mn-O, expected Mn12HO24 to be Mn6HO12" +mp-1080238,MnHO2,-7.2508927978,-1.6388631079,0.1010841621,0.1010841621,GGA+U,P1,ABC2_aP64_1_16a_16a_32a:H-Mn-O,64.0,ABC2_aP64_1_16a_16a_32a:H-Mn-O +mp-1080223,MnHO2,-7.2930731913,-1.6810435014,0.0589037687,0.0589037687,GGA+U,P2_1,ABC2_mP32_4_4a_4a_8a:H-Mn-O,32.0,"Invalid WP multiplicities - ABC2_mP32_4_8a_6a_16a:H-Mn-O, expected Mn3(HO2)4 to be MnHO2" +mp-1002573,MnHO2,-7.3391997725,-1.7271700826,0.0127771874,0.0127771874,GGA+U,Cm,ABC2_mC8_8_a_a_2a:H-Mn-O,8.0,ABC2_mC8_8_a_a_2a:H-Mn-O +mp-29159,MnHO2,-7.3442911275,-1.7322614376,0.0076858324,0.0076858324,GGA+U,P2_1/c,ABC2_mP16_14_e_e_2e:H-Mn-O,16.0,ABC2_mP16_14_e_e_2e:H-Mn-O +mp-1016111,MnHO2,-7.3002048566,-1.6881751667,0.0517721034,0.0517721034,GGA+U,P2_12_12_1,ABC2_oP32_19_2a_2a_4a:H-Mn-O,32.0,"Invalid WP multiplicities - ABC2_oP32_19_4a_2a_12a:H-Mn-O, expected Mn(HO3)2 to be MnHO2" +mp-626276,MnHO2,-7.3044340513,-1.6924043614,0.0475429087,0.0475429087,GGA+U,Pmc2_1,ABC2_oP16_26_ab_ab_2a2b:H-Mn-O,16.0,ABC2_oP16_26_ab_ab_2a2b:H-Mn-O +mp-626068,MnHO2,-7.3464030288,-1.7343733389,0.0055739312,0.0055739312,GGA+U,Pmn2_1,ABC2_oP8_31_a_a_2a:H-Mn-O,16.0,ABC2_oP8_31_a_a_2a:H-Mn-O +mp-626270,MnHO2,-7.3475400969,-1.735510407,0.004436863,0.004436863,GGA+U,Pnma,ABC2_oP16_62_c_c_2c:H-Mn-O,16.0,ABC2_oP16_62_c_c_2c:H-Mn-O +mp-1097907,MnHO2,-7.2710227838,-1.6589930939,0.0809541762,0.0809541762,GGA+U,I4/m,ABC2_tI32_87_h_h_2h:H-Mn-O,16.0,ABC2_tI32_87_h_h_2h:H-Mn-O +mp-1016136,MnHO2,-6.8179385738,-1.2059088839,0.5340383862,0.5340383862,GGA+U,P4_12_12,ABC2_tP32_92_b_b_2b:H-Mn-O,32.0,"Invalid WP multiplicities - ABC2_tP32_92_b_b_10b:H-Mn-O, expected MnHO10 to be MnHO2" +mp-770689,Li2MnAl2O6,-7.2395505791,-2.6803555834,0.0841042782,0.0841042782,GGA+U,Cmce,A2B2CD6_oC44_64_d_e_a_fg:Al-Li-Mn-O,22.0,A2B2CD6_oC44_64_d_e_a_fg:Al-Li-Mn-O +mp-770680,Li9Mn2AlO8,-6.1383130681,-2.1971419729,0.0673275812,0.0673275812,GGA+U,Pnma,AB9C2D8_oP80_62_c_3c3d_2c_4c2d:Al-Li-Mn-O,80.0,"Invalid WP multiplicities - AB9C2D8_oP80_62_c_12c9d_5c_16c5d:Al-Li-Mn-O, expected Li30Mn5AlO26 to be Li9Mn2AlO8" +mp-770551,Li2MnAlO4,-7.1362316738,-2.5722077112,0.0498049084,0.0498049084,GGA+U,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:Al-Li-Mn-O,32.0,"Invalid WP multiplicities - AB2CD4_mP32_14_e_3e_e_11e:Al-Li-Mn-O, expected Li3MnAlO11 to be Li2MnAlO4" +mp-759487,Li5MnHO4,-5.6857442223,-1.8779159936,0.095085158,0.095085158,GGA+U,Pnma,AB5CD4_oP88_62_d_2c4d_2c_2c3d:H-Li-Mn-O,88.0,"Invalid WP multiplicities - AB5CD4_oP88_62_d_8c13d_5c_7c10d:H-Li-Mn-O, expected Li34Mn5H2O27 to be Li5MnHO4" +mp-1004758,Mn3(HO3)2,-7.5595741109,-1.7457895442,0.0123570529,0.0123570529,GGA+U,C2/m,A2B3C6_mC22_12_i_ai_3i:H-Mn-O,11.0,A2B3C6_mC22_12_i_ai_3i:H-Mn-O +mp-755509,LiMnAlO3,-7.58585488,-2.6430915263,0.0725396071,0.0725396071,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:Al-Li-Mn-O,24.0,ABCD3_aP12_2_i_i_i_3i:Al-Li-Mn-O +mp-1003403,Mn8HO16,-8.0166918598,-1.7832571493,0.0127440481,0.0127440481,GGA+U,Pc,AB8C16_mP50_7_a_8a_16a:H-Mn-O,50.0,"Invalid WP multiplicities - AB8C16_mP50_7_a_16a_32a:H-Mn-O, expected Mn16HO32 to be Mn8HO16" +mp-772241,Li3MnAl2O6,-7.0697348485,-2.7313958636,0.044452259,0.044452259,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_i_6i:Al-Li-Mn-O,48.0,A2B3CD6_aP24_2_2i_3i_i_6i:Al-Li-Mn-O +mp-770686,Li3MnAl2O6,-7.0415988458,-2.7032598609000003,0.0725882617,0.0725882617,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:Al-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_3e_11e_e_19e:Al-Li-Mn-O, expected Li11MnAl3O19 to be Li3MnAl2O6" +mp-770693,Li3MnAl2O6,-7.0393290956,-2.7009901107000003,0.0748580119,0.0748580119,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:Al-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_7e_11e_e_21e:Al-Li-Mn-O, expected Li11MnAl7O21 to be Li3MnAl2O6" +mp-770706,Li6MnAlO6,-6.1553696957,-2.2952796536,0.1053734478,0.1053734478,GGA+U,C2/c,AB6CD6_mC56_15_e_3f_e_3f:Al-Li-Mn-O,28.0,"Invalid WP multiplicities - AB6CD6_mC56_15_e_9f_e_10f:Al-Li-Mn-O, expected Li18MnAlO20 to be Li6MnAlO6" +mp-625671,Mn(HO)2,-6.712145918,-1.5439769571,0.0171975125,0.0171975125,GGA+U,P1,A2BC2_aP5_1_2a_a_2a:H-Mn-O,5.0,A2BC2_aP5_1_2a_a_2a:H-Mn-O +mp-626701,Mn(HO)2,-6.725278066,-1.5571091051,0.0040653645,0.0040653645,GGA+U,C2,A2BC2_mC10_5_c_a_c:H-Mn-O,10.0,A2BC2_mC10_5_c_a_c:H-Mn-O +mp-1272198,Mn(HO)2,-6.726963365,-1.5587944041,0.0023800655,0.0023800655,GGA+U,C2/m,A2BC2_mC10_12_i_a_i:H-Mn-O,20.0,A2BC2_aP5_2_i_a_i:H-Mn-O +mp-625656,Mn(HO)2,-6.5170796840000005,-1.3489107231,0.2122637465,0.2122637465,GGA+U,P3m1,A2BC2_hP5_156_ab_c_ab:H-Mn-O,5.0,A2BC2_hP5_156_ab_c_ab:H-Mn-O +mp-23789,Mn(HO)2,-6.727098149,-1.5589291881,0.0022452815,0.0022452815,GGA+U,P-3m1,A2BC2_hP5_164_d_a_d:H-Mn-O,20.0,A2BC2_mC10_12_i_a_i:H-Mn-O +mp-23785,LiMnH6O7,-5.7271106673,-1.3235029735,0.07241318,0.07241318,GGA+U,P6_3mc,A6BCD7_hP30_186_d_a_b_b2c:H-Li-Mn-O,30.0,"Invalid WP multiplicities - A6BCD7_hP30_186_d_a_b_b7c:H-Li-Mn-O, expected LiMn(H3O11)2 to be LiMnH6O7" +mp-762521,LiMn3Al2(HO2)6,-6.8870334419,-2.0285858915,0.0214113577,0.0112277653,GGA+U,P1,A2B6CD3E12_aP48_1_4a_12a_2a_6a_24a:Al-H-Li-Mn-O,48.0,A2B6CD3E12_aP48_1_4a_12a_2a_6a_24a:Al-H-Li-Mn-O +mp-758339,LiMn3Al2(HO2)6,-6.886822166,-2.0283746157,0.0216226335,0.0114390411,GGA+U,P-1,A2B6CD3E12_aP48_2_bfi_6i_i_ce2i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_bf2i_11i_i_ce3i_24i:Al-H-Li-Mn-O, expected LiMn4Al3H11O24 to be LiMn3Al2(HO2)6" +mp-758346,LiMn3Al2(HO2)6,-6.8904912475,-2.0320436972,0.0179535521,0.0077699597,GGA+U,P-1,A2B6CD3E12_aP48_2_adi_6i_i_3i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_adi_12i_i_3i_24i:Al-H-Li-Mn-O, expected LiMn3Al2(HO2)12 to be LiMn3Al2(HO2)6" +mp-758231,LiMn3Al2(HO2)6,-6.883936251,-2.0254887007,0.0245085485,0.0143249561,GGA+U,P-1,A2B6CD3E12_aP48_2_adi_6i_i_bf2i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_ad2i_10i_i_bf2i_22i:Al-H-Li-Mn-O, expected LiMn3Al3(H5O11)2 to be LiMn3Al2(HO2)6" +mp-758686,LiMn3Al2(HO2)6,-6.8905070602,-2.0320595099,0.0179377394,0.007754147,GGA+U,P-1,A2B6CD3E12_aP48_2_adi_6i_i_bf2i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_ad2i_11i_i_bf3i_23i:Al-H-Li-Mn-O, expected LiMn4Al3H11O23 to be LiMn3Al2(HO2)6" +mp-757927,LiMn3Al2(HO2)6,-6.8859374779,-2.0274899276,0.0225073217,0.0123237293,GGA+U,P-1,A2B6CD3E12_aP48_2_2i_6i_i_ad2i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_2i_10i_i_ad4i_23i:Al-H-Li-Mn-O, expected LiMn5Al2H10O23 to be LiMn3Al2(HO2)6" +mp-758328,LiMn3Al2(HO2)6,-6.8831524067,-2.0247048563,0.0252923929,0.0151088005,GGA+U,P-1,A2B6CD3E12_aP48_2_2i_6i_i_3i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_4i_12i_i_6i_24i:Al-H-Li-Mn-O, expected LiMn6Al4(HO2)12 to be LiMn3Al2(HO2)6" +mp-758733,LiMn3Al2(HO2)6,-6.8854304448,-2.0269828945,0.0230143548,0.0128307624,GGA+U,P-1,A2B6CD3E12_aP48_2_adi_6i_i_3i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_ad2i_11i_i_6i_24i:Al-H-Li-Mn-O, expected LiMn6Al3H11O24 to be LiMn3Al2(HO2)6" +mp-758348,LiMn3Al2(HO2)6,-6.8695903838,-2.0111428334,0.0388544158,0.0286708234,GGA+U,P-1,A2B6CD3E12_aP48_2_adi_6i_i_3i_12i:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_aP48_2_adi_10i_i_5i_23i:Al-H-Li-Mn-O, expected LiMn5Al2H10O23 to be LiMn3Al2(HO2)6" +mp-759118,LiMn3Al2(HO2)6,-6.9081242806,-2.0496767303,0.000320519,-0.0098630734,GGA+U,Cc,A2B6CD3E12_mC96_9_2a_6a_a_3a_12a:Al-H-Li-Mn-O,48.0,"Invalid WP multiplicities - A2B6CD3E12_mC96_9_4a_10a_a_4a_23a:Al-H-Li-Mn-O, expected LiMn4Al4H10O23 to be LiMn3Al2(HO2)6" +mp-690617,LiMn3Al2(HO2)6,-6.9084447996,-2.0499972493,0.0,-0.0101835924,GGA+U,C2/m,A2B6CD3E12_mC48_12_g_ij_a_dh_2i2j:Al-H-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B6CD3E12_mC48_12_g_2ij_a_ch_4i7j:Al-H-Li-Mn-O, expected LiMn3Al2(H2O9)4 to be LiMn3Al2(HO2)6" +mp-17712,Pr4V5(Si2O11)2,-8.7601494357,-3.1866758032,0.0248931912,0.0248931912,GGA+U,C2/m,A22B4C4D5_mC70_12_5i3j_2i_2i_abce:O-Pr-Si-V,35.0,"Invalid WP multiplicities - A22B4C4D5_mC70_12_5i4j_2i_2i_abc2f:O-Pr-Si-V, expected Pr4V7(Si2O13)2 to be Pr4V5(Si2O11)2" +mp-754456,NaVSiO4,-7.823558115,-2.7352003667,0.0434148323,0.0434148323,GGA+U,Cmcm,AB4CD_oC28_63_c_fg_c_a:Na-O-Si-V,28.0,AB4CD_oC28_63_c_fg_c_a:Na-O-Si-V +mp-19287,NaV(SiO3)2,-8.0412280168,-2.9475080477,0.0,-0.0262387776,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Na-O-Si-V,40.0,AB6C2D_mC40_15_e_3f_f_e:Na-O-Si-V +mp-756893,MnV4CoO12,-8.4390183867,-2.2186727254,0.0114498625,0.0114498625,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Co-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Co-Mn-O-V, expected MnV8CoO24 to be MnV4CoO12" +mp-1177907,Li2MnV4CoO12,-8.0485598845,-2.2593565027,0.1035126561,0.1035126561,GGA+U,C2,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Co-Li-Mn-O-V,20.0,"Invalid WP multiplicities - AB2CD12E4_mC40_5_a_ab_b_12c_4c:Co-Li-Mn-O-V, expected Li2MnV8CoO24 to be Li2MnV4CoO12" +mp-768525,Mn3V2Co3O16,-7.711552045799999,-1.6229757633,0.1221185661,0.1221185661,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Co-Mn-O-V,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Co-Mn-O-V, expected Mn3V2Co3O20 to be Mn3V2Co3O16" +mp-756676,Li4Mn3V2Co3O16,-7.4603703214,-1.968887384,0.07710159,0.07710159,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Mn-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Mn-O-V, expected Li4Mn3V2Co3O20 to be Li4Mn3V2Co3O16" +mp-1226730,CdH6(NCl)2,-4.5729570709,-0.7866562345,0.0,-0.0590062951,GGA,C2,AB2C6D2_mC22_5_a_2b_3c_c:Cd-Cl-H-N,11.0,"Invalid WP multiplicities - AB2C6D2_mC22_5_a_2b_5c_c:Cd-Cl-H-N, expected CdH10(NCl)2 to be CdH6(NCl)2" +mp-722666,Cd(NCl)2,-3.020485068,1.238105518,2.135725,2.135725,GGA,Cmmm,AB2C2_oC10_65_a_h_i:Cd-Cl-N,5.0,AB2C2_oC10_65_a_h_i:Cd-Cl-N +mp-1215014,Cd(N2Cl)6,-3.9729251732,1.9245510805,2.1607667337,2.1607667337,GGA,C2/c,AB6C12_mC76_15_c_3f_6f:Cd-Cl-N,38.0,"Invalid WP multiplicities - AB6C12_mC76_15_a_10f_20f:Cd-Cl-N, expected Cd(N2Cl)20 to be Cd(N2Cl)6" +mp-604337,Cd(HN2)4,-6.3012732468,-0.0562152976,0.1171924752,0.1171924752,GGA,P2_1/c,AB4C8_mP104_14_2e_8e_16e:Cd-H-N,104.0,"Invalid WP multiplicities - AB4C8_mP104_14_5e_30e_62e:Cd-H-N, expected Cd5(H15N31)2 to be Cd(HN2)4" +mp-1080587,CdNCl3,-3.134649898,-0.173650965,0.7239685170000001,0.7239685170000001,GGA,P2_1/m,AB3C_mP10_11_a_3e_e:Cd-Cl-N,10.0,"Invalid WP multiplicities - AB3C_mP10_11_a_6e_e:Cd-Cl-N, expected CdNCl6 to be CdNCl3" +mp-1105591,CdNCl3,-3.0930608945,-0.1320619615,0.7655575205,0.7655575205,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cd-Cl-N,20.0,AB3C_oP20_62_c_3c_c:Cd-Cl-N +mp-1080000,CdNCl3,-3.265026468,-0.304027535,0.5935919470000001,0.5935919470000001,GGA,Cmcm,AB3C_oC20_63_a_cg_c:Cd-Cl-N,10.0,"Invalid WP multiplicities - AB3C_oC20_63_a_2c2g_c:Cd-Cl-N, expected CdNCl6 to be CdNCl3" +mp-1181997,Cd(N2Cl3)2,-3.5596715159,0.5639729768,0.9719818323,0.9719818323,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Cd-Cl-N,22.0,AB6C4_hR66_167_b_f_ae:Cd-Cl-N +mp-1191938,Cd(N2Cl3)2,-3.5456439086,0.5780005841,0.9860094395,0.9860094395,GGA,R-3c,AB6C4_hR66_167_b_f_ae:Cd-Cl-N,22.0,AB6C4_hR66_167_b_f_ae:Cd-Cl-N +mp-24430,CdCoH18N6Cl5,-4.8825737987,-0.7418664046,0.0,-0.0150921571,GGA,Fd-3c,AB5CD18E6_cF992_228_b_eg_c_3h_h:Cd-Cl-Co-H-N,248.0,AB5CD18E6_cF992_228_b_eg_c_3h_h:Cd-Cl-Co-H-N +mp-24356,CdH4NCl3,-4.1678666839,-1.0149890344,0.0,-0.0078294106,GGA,Pnma,AB3C4D_oP36_62_c_3c_2cd_c:Cd-Cl-H-N,36.0,AB3C4D_oP36_62_c_3c_2cd_c:Cd-Cl-H-N +mp-1096862,CdHCl3,-2.26190631,-0.289661153,0.934244393,0.934244393,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-Cl-H,5.0,AB3C_cP5_221_b_c_a:Cd-Cl-H +mp-1097048,LaCuO2F,-6.7806223580000005,-2.612608325,0.319461913,0.319461913,GGA,I4/mcm,ABCD2_tI20_140_c_a_b_h:Cu-F-La-O,10.0,ABCD2_tI20_140_c_a_b_h:Cu-F-La-O +mp-1218829,Sr2Cu(OF)2,-5.7401790271,-2.7123891794,0.2895562507,0.2895562507,GGA,Imm2,AB2C2D2_oI14_44_a_2b_2b_2a:Cu-F-O-Sr,7.0,AB2C2D2_oI14_44_a_2b_2b_2a:Cu-F-O-Sr +mp-1025280,Sr2Cu(OF)2,-6.0023057729,-2.9745159251,0.027429505,0.027429505,GGA,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Cu-F-O-Sr,7.0,AB2C2D2_tI14_139_a_d_c_e:Cu-F-O-Sr +mp-675758,Sr2LaF7,-6.390215657,-4.2206809786,0.1157305583,0.1157305583,GGA,Cm,A7BC2_mC40_8_14a_2a_4a:F-La-Sr,20.0,A7BC2_mC40_8_14a_2a_4a:F-La-Sr +mp-1232334,Sr3Cu2(OF)4,-5.7144367962,-2.5837010719,0.2031462787,0.2031462787,GGA,I-4m2,A2B4C4D3_tI26_119_e_ace_2f_be:Cu-F-O-Sr,13.0,A2B4C4D3_tI26_119_e_ace_2f_be:Cu-F-O-Sr +mp-1147566,SrCuOF2,-5.488135572,-2.5764662181,0.340441288,0.340441288,GGA,I4/mcm,AB2CD_tI20_140_c_h_a_b:Cu-F-O-Sr,10.0,AB2CD_tI20_140_c_h_a_b:Cu-F-O-Sr +mp-675492,SrLa5F17,-6.9947537135,-4.4354201732,0.0229058564,0.0229058564,GGA,P1,A17B5C_aP23_1_17a_5a_a:F-La-Sr,23.0,A17B5C_aP23_1_17a_5a_a:F-La-Sr +mp-1173243,Sr4La13Cu17O35F16,-6.5110291984,-2.4600839284,0.3371978415,0.3371978415,GGA,Pmm2,A17B16C13D35E4_oP85_25_17a_15bc_13d_17a2b16c_4d:Cu-F-La-O-Sr,85.0,A17B16C13D35E4_oP85_25_17a_15bc_13d_17a2b16c_4d:Cu-F-La-O-Sr +mp-1191138,LaGaBi2,-4.5108311725,-0.5995608256,0.0,-0.0126115365,GGA,P6/mmm,A2BC_hP24_191_acgj_k_m:Bi-Ga-La,24.0,A2BC_hP24_191_acgj_k_m:Bi-Ga-La +mp-1516828,KLaGaBiO6,-6.431850925,-2.1723385778,0.1870086483,0.1870086483,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-Ga-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-Ga-K-La-O +mp-1193677,Hg3As2(HO4)2,-5.0215483377,-1.2489990253,0.0107120176,0.0107120176,GGA,C2/c,A2B2C3D8_mC60_15_f_f_ef_4f:As-H-Hg-O,30.0,A2B2C3D8_mC60_15_f_f_ef_4f:As-H-Hg-O +mp-1204024,Zn3As2H7O12,-5.4539704307,-1.4453531603,0.0770940248,0.0770940248,GGA,Pnma,A2B7C12D3_oP96_62_d_c3d_2c5d_cd:As-H-O-Zn,96.0,A2B7C12D3_oP96_62_d_c3d_2c5d_cd:As-H-O-Zn +mp-1202910,Zn2As(HO2)3,-5.5122962252,-1.5925532229,0.00974989,0.00974989,GGA,P2_1/c,AB3C6D2_mP96_14_2e_6e_12e_4e:As-H-O-Zn,96.0,AB3C6D2_mP96_14_2e_6e_12e_4e:As-H-O-Zn +mp-695793,ZnAs4(HO2)8,-5.7038269914,-1.3526185441,0.0839166754,0.0839166754,GGA,P-1,A4B8C16D_aP29_2_2i_4i_8i_a:As-H-O-Zn,29.0,"Invalid WP multiplicities - A4B8C16D_aP29_2_3i_7i_15i_a:As-H-O-Zn, expected ZnAs6(H7O15)2 to be ZnAs4(HO2)8" +mp-24216,ZnHgAsHO5,-5.2679063478,-1.4513827943,0.0,-0.0052959837,GGA,Pnma,ABCD5E_oP36_62_c_c_c_3cd_a:As-H-Hg-O-Zn,36.0,ABCD5E_oP36_62_c_c_c_3cd_a:As-H-Hg-O-Zn +mp-721702,Zn2AsHO5,-5.6318056133,-1.7090528104,0.0,-0.0140763288,GGA,Pnnm,ABC5D2_oP36_58_g_g_3gh_eg:As-H-O-Zn,36.0,ABC5D2_oP36_58_g_g_3gh_eg:As-H-O-Zn +mp-541761,Zn3As2(HO)16,-5.3041966962,-1.3439776762,0.1113320999999999,0.1113320999999999,GGA,C2/m,A2B16C16D3_mC74_12_i_4j_2i3j_ag:As-H-O-Zn,37.0,A2B16C16D3_mC74_12_i_4j_2i3j_ag:As-H-O-Zn +mp-1199333,Zn3As2(HO)16,-5.3966407454,-1.4364217254,0.0188880508,0.0188880508,GGA,C2/m,A2B16C16D3_mC74_12_i_4j_2i3j_ag:As-H-O-Zn,37.0,A2B16C16D3_mC74_12_i_4j_2i3j_ag:As-H-O-Zn +mp-1190778,Zn3As2(H2O3)4,-5.5178015372,-1.5338199158,0.0046526232,0.0046526232,GGA,P-1,A2B8C12D3_aP25_2_i_4i_6i_ai:As-H-O-Zn,25.0,A2B8C12D3_aP25_2_i_4i_6i_ai:As-H-O-Zn +mp-1522255,KNdInSbO6,-6.538862561,-2.2949261993,0.1906595465,0.1906595465,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:In-K-Nd-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:In-K-Nd-O-Sb +mp-1194837,Ba3As2H34O25,-5.5143697141,-1.5441343244,0.0244693799,0.0244693799,GGA,Cc,A2B3C34D25_mC256_9_2a_3a_34a_25a:As-Ba-H-O,128.0,A2B3C34D25_mC256_9_2a_3a_34a_25a:As-Ba-H-O +mp-1213314,Cu5As2(HO3)4,-5.6730845174,-1.2058915228,0.0331827872,0.0331827872,GGA,P2_1/c,A2B5C4D12_mP46_14_e_a2e_2e_6e:As-Cu-H-O,46.0,A2B5C4D12_mP46_14_e_a2e_2e_6e:As-Cu-H-O +mp-1022726,Ba2CuH6,-3.5570895489,-0.4133659022,0.0231879019,0.0231879019,GGA,Cmce,A2BC6_oC36_64_d_a_def:Ba-Cu-H,18.0,A2BC6_oC36_64_d_a_def:Ba-Cu-H +mp-1196910,BaAsHO4,-6.5014792621,-2.2503972286,0.0079351753,-0.003174783,GGA,P2_1,ABCD4_mP84_4_6a_6a_6a_24a:As-Ba-H-O,84.0,ABCD4_mP84_4_6a_6a_6a_24a:As-Ba-H-O +mp-23810,BaAsHO4,-6.5094144374,-2.2583324038,0.0,-0.0111099583,GGA,Pbca,ABCD4_oP112_61_2c_2c_2c_8c:As-Ba-H-O,112.0,ABCD4_oP112_61_2c_2c_2c_8c:As-Ba-H-O +mp-1213607,CuAsHO4,-5.8752985498,-1.3127548405,0.0374326734,0.0374326734,GGA,P-1,ABCD4_aP56_2_4i_4i_4i_16i:As-Cu-H-O,56.0,ABCD4_aP56_2_4i_4i_4i_16i:As-Cu-H-O +mp-6571,BaCuAs2O7,-6.5150958886,-1.972983216,0.0,-0.0077668614,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ba-Cu-O,44.0,"Invalid WP multiplicities - A2BCD7_mP44_14_5e_e_e_7e:As-Ba-Cu-O, expected BaCuAs5O7 to be BaCuAs2O7" +mp-1202551,CuAsH3O5,-5.6873565594,-1.3203618828,0.0093855832,0.0093855832,GGA,P-1,ABC3D5_aP80_2_4i_4i_12i_20i:As-Cu-H-O,80.0,ABC3D5_aP80_2_4i_4i_12i_20i:As-Cu-H-O +mp-1198068,Cu2As(HO3)2,-5.6534069764,-1.1694873307,0.0729116736,0.0729116736,GGA,P-1,AB2C2D6_aP44_2_2i_bd3i_4i_12i:As-Cu-H-O,44.0,AB2C2D6_aP44_2_2i_bd3i_4i_12i:As-Cu-H-O +mp-560007,Ba2Cu7(AsO4)6,-6.2291907772,-1.6341231856,0.0123387569,0.0123387569,GGA,P-1,A6B2C7D24_aP39_2_3i_i_bcd2i_12i:As-Ba-Cu-O,39.0,"Invalid WP multiplicities - A6B2C7D24_aP39_2_6i_i_bcd3i_23i:As-Ba-Cu-O, expected Ba2Cu9(As6O23)2 to be Ba2Cu7(AsO4)6" +mp-1229146,Ba2Cu4As5H3O20,-6.1979436412,-1.7084636134000002,0.0160844825,0.0160844825,GGA,P1,A5B2C4D3E20_aP68_1_10a_4a_8a_6a_40a:As-Ba-Cu-H-O,68.0,A5B2C4D3E20_aP68_1_10a_4a_8a_6a_40a:As-Ba-Cu-H-O +mp-707874,Ba7Cu3H17,-3.5984530439,-0.5093127715,0.0,-0.0331303533,GGA,P31c,A7B3C17_hP54_159_b2c_c_2b5c:Ba-Cu-H,54.0,A7B3C17_hP54_159_b2c_c_2b5c:Ba-Cu-H +mp-541087,CuAs4(H5O8)2,-5.7761093671,-1.3951429116,0.0053456054,0.0053456054,GGA,P-1,A4BC10D16_aP31_2_2i_a_5i_8i:As-Cu-H-O,31.0,A4BC10D16_aP31_2_2i_a_5i_8i:As-Cu-H-O +mp-1195773,Ba3As4(HO7)2,-6.5882284663,-2.2215983582,0.0108873539,0.0108873539,GGA,C2/c,A4B3C2D14_mC92_15_2f_ef_f_7f:As-Ba-H-O,46.0,A4B3C2D14_mC92_15_2f_ef_f_7f:As-Ba-H-O +mp-23806,BaAsH3O5,-6.1078663354,-1.9588948317,0.0065540571,0.0065540571,GGA,Pbca,ABC3D5_oP80_61_c_c_3c_5c:As-Ba-H-O,80.0,ABC3D5_oP80_61_c_c_3c_5c:As-Ba-H-O +mp-17262,BaCu2(AsO4)2,-6.3319571458,-1.7927929319,0.0217976492,0.0217976492,GGA,P2_1/c,A2BC2D8_mP26_14_e_a_e_4e:As-Ba-Cu-O,26.0,"Invalid WP multiplicities - A2BC2D8_mP26_14_e_a_e_5e:As-Ba-Cu-O, expected BaCu2(AsO5)2 to be BaCu2(AsO4)2" +mp-865573,Li2ErTl,-2.89820456,-0.2111526375,0.0067691028,0.0067691028,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Er-Li-Tl,4.0,AB2C_cF16_225_a_c_b:Er-Li-Tl +mp-1235802,LiEr2Tl2(WO4)4,-8.3219838552,-2.452016372,0.0450707323,0.0450707323,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Li-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Li-O-Tl-W +mp-1235187,LiEr2Tl2(WO4)4,-8.2937756992,-2.423808216,0.0732788883,0.0732788883,GGA+U,C2,A2BC16D2E4_mC50_5_ab_a_8c_ab_2c:Er-Li-O-Tl-W,25.0,"Invalid WP multiplicities - A2BC16D2E4_mC50_5_ab_a_16c_ab_4c:Er-Li-O-Tl-W, expected LiEr2Tl2(WO4)8 to be LiEr2Tl2(WO4)4" +mp-1192111,LiEr(WO4)2,-8.6679313112,-2.6707303257,0.0,-0.004923775,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Er-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Er-Li-O-W +mp-862492,LiErTl2,-3.105302275,-0.3048202825,0.0,-0.03628343,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Li-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Li-Tl +mp-1213014,ErTl(WO4)2,-8.544450545,-2.5094395361,0.0,-0.0331555377,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Er-O-Tl-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Er-O-Tl-W +mp-976744,LiEr2Tl,-3.5310283075,-0.1792773992,0.0271218331,0.0271218331,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Li-Tl,4.0,A2BC_cF16_225_c_a_b:Er-Li-Tl +mp-1235504,LiErTlO2,-6.159222892,-2.4126904428,0.2451556323,0.2451556323,GGA,R3m,ABC2D_hR15_160_a_a_2a_a:Er-Li-O-Tl,5.0,ABC2D_hR15_160_a_a_2a_a:Er-Li-O-Tl +mp-1236123,LiErTlO2,-6.192052168,-2.4455197188,0.2123263563,0.2123263563,GGA,R3m,ABC2D_hR15_160_a_a_2a_a:Er-Li-O-Tl,5.0,ABC2D_hR15_160_a_a_2a_a:Er-Li-O-Tl +mp-690929,Cs4MgZr3(PO4)6,-7.8597065638,-3.0695661549,0.0,-0.0117635887,GGA,P2_1,A4BC24D6E3_mP76_4_4a_a_24a_6a_3a:Cs-Mg-O-P-Zr,76.0,"Invalid WP multiplicities - A4BC24D6E3_mP76_4_6a_a_46a_10a_4a:Cs-Mg-O-P-Zr, expected Cs6MgZr4(P5O23)2 to be Cs4MgZr3(PO4)6" +mp-1027873,CsMg14Zr,-1.7814106437,0.2090283376,0.2278124387,0.2278124387,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Zr, expected CsMg18Zr to be CsMg14Zr" +mp-1027861,CsMg14Zr,-1.8015125231,0.1889264583,0.2077105593,0.2077105593,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Zr, expected CsMg26Zr to be CsMg14Zr" +mp-1222466,MgZr4(PO4)6,-8.5434529563,-3.2008407654,0.0,-0.0037246423,GGA,Pc,AB24C6D4_mP70_7_a_24a_6a_4a:Mg-O-P-Zr,70.0,AB24C6D4_mP70_7_a_24a_6a_4a:Mg-O-P-Zr +mp-1213730,Cs2MgZr(PO4)3,-7.5108655543,-2.9035520028,0.0295507805,0.0295507805,GGA,P2_13,A2BC12D3E_cP76_198_2a_a_4b_b_a:Cs-Mg-O-P-Zr,76.0,A2BC12D3E_cP76_198_2a_a_4b_b_a:Cs-Mg-O-P-Zr +mp-24364,CaAs2(HO2)4,-6.1093582903,-1.8114749197,0.039808308,0.039808308,GGA,P-1,A2BC4D8_aP30_2_2i_i_be3i_8i:As-Ca-H-O,30.0,"Invalid WP multiplicities - A2BC4D8_aP30_2_2i_i_be3i_11i:As-Ca-H-O, expected CaAs2H4O11 to be CaAs2(HO2)4" +mp-1227603,Ca5As3HO13,-6.8359174202,-2.6675067881,0.0,-0.0244398823,GGA,P6_3,A3B5CD13_hP44_173_c_2bc_a_a4c:As-Ca-H-O,44.0,A3B5CD13_hP44_173_c_2bc_a_a4c:As-Ca-H-O +mp-24359,CaAs(HO)7,-5.7562754284,-1.6912365798,0.0154320577,0.0154320577,GGA,Pbca,ABC7D7_oP128_61_c_c_7c_7c:As-Ca-H-O,128.0,ABC7D7_oP128_61_c_c_7c_7c:As-Ca-H-O +mp-1199574,Ca4As3H9O16,-6.1869607262,-2.071919835,0.0048445371,0.0048445371,GGA,P2_1/c,A3B4C9D16_mP128_14_3e_4e_9e_16e:As-Ca-H-O,128.0,A3B4C9D16_mP128_14_3e_4e_9e_16e:As-Ca-H-O +mp-23815,CaCoAsHO5,-6.6521928097,-1.9967255118,0.0558138793,0.0558138793,GGA+U,P2_12_12_1,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-Co-H-O,36.0,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-Co-H-O +mp-1214418,Ca2CoAs2(HO4)2,-6.4032965583,-1.9501821487,0.1801312207,0.1801312207,GGA+U,P2_1,A2B2CD2E8_mP30_4_2a_2a_a_2a_8a:As-Ca-Co-H-O,30.0,A2B2CD2E8_mP30_4_2a_2a_a_2a_8a:As-Ca-Co-H-O +mp-721328,CaAsH3O5,-6.1049184866,-1.947284489,0.0141529187,0.0141529187,GGA,Pbcn,ABC3D5_oP80_60_d_d_3d_5d:As-Ca-H-O,80.0,ABC3D5_oP80_60_d_d_3d_5d:As-Ca-H-O +mp-24436,Ca5As4(HO2)10,-6.2489871682,-2.1073074837,0.0010174374,0.0010174374,GGA,C2/c,A4B5C10D20_mC156_15_2f_e2f_5f_10f:As-Ca-H-O,78.0,A4B5C10D20_mC156_15_2f_e2f_5f_10f:As-Ca-H-O +mp-1196276,CaAsHO5,-6.0564572656,-1.7075962798000002,0.2634302221,0.2634302221,GGA,Pbcn,ABCD5_oP64_60_d_d_d_5d:As-Ca-H-O,64.0,ABCD5_oP64_60_d_d_d_5d:As-Ca-H-O +mp-24120,CaAsH5O6,-5.8871460642,-1.7864936967,0.0181629293,0.0181629293,GGA,Cc,ABC5D6_mC52_9_a_a_5a_6a:As-Ca-H-O,26.0,"Invalid WP multiplicities - ABC5D6_mC52_9_a_a_5a_7a:As-Ca-H-O, expected CaAsH5O7 to be CaAsH5O6" +mp-754855,CaAsH5O6,-5.8105865315,-1.709934164,0.094722462,0.094722462,GGA,Cc,ABC5D6_mC52_9_a_a_5a_6a:As-Ca-H-O,26.0,"Invalid WP multiplicities - ABC5D6_mC52_9_a_a_10a_12a:As-Ca-H-O, expected CaAs(H5O6)2 to be CaAsH5O6" +mp-1191148,SrCu2(BO3)2,-7.1041474868,-2.2926181593,0.0386164189,0.0386164189,GGA,I4cm,A2B2C6D_tI44_108_c_c_cd_a:B-Cu-O-Sr,22.0,A2B2C6D_tI44_108_c_c_cd_a:B-Cu-O-Sr +mp-6602,SrCu2(BO3)2,-7.0993456191,-2.2878162916,0.0434182866,0.0434182866,GGA,I-42m,A2B2C6D_tI44_121_i_i_ij_c:B-Cu-O-Sr,22.0,"Invalid WP multiplicities - A2B2C6D_tI44_121_i_i_i2j_c:B-Cu-O-Sr, expected SrCu2(BO5)2 to be SrCu2(BO3)2" +mp-558472,SrCu2(BO3)2,-7.1035350927,-2.2920057652,0.039228813,0.039228813,GGA,I4/mcm,A2B2C6D_tI44_140_h_h_hk_a:B-Cu-O-Sr,22.0,"Invalid WP multiplicities - A2B2C6D_tI44_140_h_h_3h3k_a:B-Cu-O-Sr, expected SrCu2(BO9)2 to be SrCu2(BO3)2" +mp-9660,Sr2Cu(BO3)2,-7.3766405609,-2.7841760713,0.0128831984,0.0128831984,GGA,P2_1/c,A2BC6D2_mP22_14_e_a_3e_e:B-Cu-O-Sr,22.0,"Invalid WP multiplicities - A2BC6D2_mP22_14_e_a_4e_e:B-Cu-O-Sr, expected Sr2Cu(BO4)2 to be Sr2Cu(BO3)2" +mp-560425,Sr2Cu(BO3)2,-7.3645407938,-2.7720763041,0.0249829656,0.0249829656,GGA,Pnma,A2BC6D2_oP88_62_2cd_2c_2c5d_acd:B-Cu-O-Sr,88.0,"Invalid WP multiplicities - A2BC6D2_oP88_62_6c5d_6c_8c35d_3a3c3d:B-Cu-O-Sr, expected Sr6Cu3B8O39 to be Sr2Cu(BO3)2" +mp-1228284,BaSr3Cu8(BO3)8,-7.0996668523,-2.2829220364,0.0440786624,0.0440786624,GGA,P222,A8BC8D24E3_oP44_16_2u_a_2u_6u_bgh:B-Ba-Cu-O-Sr,44.0,"Invalid WP multiplicities - A8BC8D24E3_oP44_16_7u_a_7u_23u_bgh:B-Ba-Cu-O-Sr, expected BaSr3Cu28(B7O23)4 to be BaSr3Cu8(BO3)8" +mp-1519119,NaSrZrWO6,-8.280714195,-2.8609160076,0.0695584055,0.0695584055,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-W-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-W-Zr +mp-1522533,Sr2ZrWO6,-8.494113466,-3.0376184626,0.1192328711,0.1192328711,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Zr,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Zr +mp-562127,SrCo2As2(H2O5)2,-6.3986645936,-1.7532879017,0.0030352906,0.0030352906,GGA+U,P2_1/c,A2B2C4D10E_mP76_14_2e_ace_4e_10e_e:As-Co-H-O-Sr,76.0,"Invalid WP multiplicities - A2B2C4D10E_mP76_14_6e_2ac2e_15e_34e_e:As-Co-H-O-Sr, expected Sr2Co7As12(H15O34)2 to be SrCo2As2(H2O5)2" +mp-1194871,SrCoAsHO5,-6.6957718389,-2.0754274773,0.0,-0.0315508444,GGA+U,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:As-Co-H-O-Sr,36.0,ABCD5E_oP36_19_a_a_a_5a_a:As-Co-H-O-Sr +mp-571203,Sr(CoAs)2,-5.660940282,-0.6160671113,0.0,-0.065661267,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:As-Co-Sr,5.0,A2B2C_tI10_139_e_d_a:As-Co-Sr +mp-1293180,SrCo2(AsO4)2,-6.9471408331,-1.9626888682,0.0008585115,-0.0071599847,GGA+U,P1,A2B2C8D_aP26_1_4a_4a_16a_2a:As-Co-O-Sr,26.0,A2B2C8D_aP26_1_4a_4a_16a_2a:As-Co-O-Sr +mp-563018,SrCo2(AsO4)2,-6.6935545715,-1.7091026067,0.2544447731,0.2464262769,GGA+U,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_2i_4i_14i_i:As-Co-O-Sr, expected SrCo4(AsO7)2 to be SrCo2(AsO4)2" +mp-1179171,SrCo2(AsO4)2,-6.5811236004,-1.5966716355,0.3668757442,0.358857248,GGA+U,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr,26.0,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr +mp-1193940,SrCo2(AsO4)2,-6.9479993446,-1.9635473797,0.0,-0.0080184962,GGA+U,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr,26.0,"Invalid WP multiplicities - A2B2C8D_aP26_2_2i_4i_8i_i:As-Co-O-Sr, expected SrCo4(AsO4)2 to be SrCo2(AsO4)2" +mp-1382294,SrCo2(AsO4)2,-3.4693166469,1.5151353179,3.4786826977,3.4706642015,GGA+U,P-1,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr,26.0,A2B2C8D_aP26_2_2i_2i_8i_i:As-Co-O-Sr +mp-18086,SrCoAs2O7,-6.8669545241000005,-2.072148248,0.0020002689,0.0020002689,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Co-O-Sr,44.0,"Invalid WP multiplicities - A2BC7D_mP44_14_2e_e_10e_e:As-Co-O-Sr, expected SrCo(AsO5)2 to be SrCoAs2O7" +mp-1096077,NaIn2Sn,-1.779742155,0.9291239971,1.0390469616,1.0390469616,GGA,Immm,A2BC_oI8_71_e_a_b:In-Na-Sn,4.0,A2BC_oI8_71_e_a_b:In-Na-Sn +mp-1520890,NaInSnWO6,-6.989865917,-1.9176615794,0.1464797155,0.1464797155,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:In-Na-O-Sn-W +mp-1220784,NaInSn2,-3.1600756537,-0.1367374704,0.0,-0.0200415675,GGA,P2_12_12_1,ABC2_oP16_19_a_a_2a:In-Na-Sn,16.0,ABC2_oP16_19_a_a_2a:In-Na-Sn +mp-1220736,NaInSn4,-3.2783669233,0.0737158172,0.1648741308,0.1648741308,GGA,I422,ABC4_tI12_97_a_b_j:In-Na-Sn,6.0,ABC4_tI12_97_a_b_j:In-Na-Sn +mp-1218601,Sr3CaNi2(WO6)2,-7.789114748,-2.5935708182,0.0085961625,0.0085961625,GGA+U,P1,AB2C12D3E2_aP20_1_a_2a_12a_3a_2a:Ca-Ni-O-Sr-W,20.0,AB2C12D3E2_aP20_1_a_2a_12a_3a_2a:Ca-Ni-O-Sr-W +mp-561535,NaLuP2O7,-7.7959465523,-3.1325918427,0.0,-0.0112945598,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Lu-Na-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_6e:Lu-Na-O-P, expected NaLu(P2O9)3 to be NaLuP2O7" +mp-561247,Na2LuMoPO8,-7.6291866852,-2.783151038,0.0027692737,0.0027692737,GGA+U,Ibca,ABC2D8E_oI104_73_c_d_f_4f_c:Lu-Mo-Na-O-P,52.0,"Invalid WP multiplicities - ABC2D8E_oI104_73_c_d_f_26f_c:Lu-Mo-Na-O-P, expected Na2LuMoPO52 to be Na2LuMoPO8" +mp-19464,Na5Lu(MoO4)4,-7.4760154425,-2.3351232576,0.0,-0.0001674691,GGA+U,I4_1/a,AB4C5D16_tI104_88_a_f_bf_4f:Lu-Mo-Na-O,52.0,"Invalid WP multiplicities - AB4C5D16_tI104_88_a_f_bf_5f:Lu-Mo-Na-O, expected Na5Lu(MoO5)4 to be Na5Lu(MoO4)4" +mp-1224580,Na4MnMo8O47,-6.5205169135,-0.9586554673,0.4184200219,0.4184200219,GGA+U,P-1,AB8C4D47_aP60_2_b_4i_2i_c23i:Mn-Mo-Na-O,60.0,AB8C4D47_aP60_2_b_4i_2i_c23i:Mn-Mo-Na-O +mp-759434,Na5MnHO4,-5.105373153,-1.5640892757,0.0302901856,0.0302901856,GGA+U,Pnma,ABC5D4_oP88_62_d_2c_2c4d_2c3d:H-Mn-Na-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_d_5c_8c13d_7c10d:H-Mn-Na-O, expected Na34Mn5H2O27 to be Na5MnHO4" +mp-758826,NaMn(HO)3,-5.9339698344,-1.4961217276,0.0807304967,0.0807304967,GGA+U,P4_2bc,A3BCD3_tP64_106_3c_c_c_3c:H-Mn-Na-O,64.0,"Invalid WP multiplicities - A3BCD3_tP64_106_21c_c_c_21c:H-Mn-Na-O, expected NaMn(HO)21 to be NaMn(HO)3" +mp-685127,NaMn2Mo2H3O10,-7.2405765761,-1.6304142792,0.2690021267,0.2545123065,GGA+U,C2,A3B2C2DE10_mC36_5_ac_c_c_b_5c:H-Mn-Mo-Na-O,18.0,"Invalid WP multiplicities - A3B2C2DE10_mC36_5_a2c_c_c_b_8c:H-Mn-Mo-Na-O, expected NaMn2Mo2H5O16 to be NaMn2Mo2H3O10" +mp-1173541,NaMn2Mo2H3O10,-7.5089743256,-1.8988120286,0.0006043772,-0.013885443,GGA+U,C2,A3B2C2DE10_mC36_5_ac_c_c_b_5c:H-Mn-Mo-Na-O,18.0,A3B2C2DE10_mC36_12_ci_e_i_b_3ij:H-Mn-Mo-Na-O +mp-1280674,NaMn2Mo2H3O10,-7.5095787028,-1.8994164058,0.0,-0.0144898202,GGA+U,C2/m,A3B2C2DE10_mC36_12_ai_e_i_c_3ij:H-Mn-Mo-Na-O,18.0,A3B2C2DE10_mC36_12_ci_e_i_b_3ij:H-Mn-Mo-Na-O +mp-1046557,Mg4Cr5(TeO6)3,-7.2964517395,-2.1918960051,0.1558967721,0.1558967721,GGA+U,C2/c,A5B4C18D3_mC120_15_e2f_2f_9f_af:Cr-Mg-O-Te,60.0,"Invalid WP multiplicities - A5B4C18D3_mC120_15_e4f_6f_35f_c2f:Cr-Mg-O-Te, expected Mg12Cr9(TeO14)5 to be Mg4Cr5(TeO6)3" +mp-1046636,Mg4Te3W5O18,-7.5702079298,-1.9148050687,0.3474985145,0.3474985145,GGA+U,C2,A4B18C3D5_mC120_5_4c_18c_3c_ab4c:Mg-O-Te-W,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_5_7c_36c_4c_ab8c:Mg-O-Te-W, expected Mg7Te4(WO4)9 to be Mg4Te3W5O18" +mp-2229662,MgTe2(WO6)2,-7.3779073912,-1.8977064011,0.1257017793,0.1257017793,GGA+U,P1,AB12C2D2_aP17_1_a_12a_2a_2a:Mg-O-Te-W,17.0,AB12C2D2_aP17_1_a_12a_2a_2a:Mg-O-Te-W +mp-2229471,MgTe3WO12,-6.6178417182,-1.7149833362,0.1129852174,0.1129852174,GGA+U,P1,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W,17.0,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W +mp-2229351,MgTe3WO12,-6.6222131841,-1.7193548021,0.1086137515,0.1086137515,GGA+U,P1,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W,17.0,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W +mp-2241082,MgTe3WO12,-6.5976595494,-1.6948011674,0.1331673862,0.1331673862,GGA+U,P1,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W,17.0,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W +mp-2241283,MgTe3WO12,-6.6047164418,-1.7018580597,0.1261104939,0.1261104939,GGA+U,P1,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W,17.0,AB12C3D_aP17_1_a_12a_3a_a:Mg-O-Te-W +mp-2229380,MgTe3WO12,-6.6470337329,-1.7441753509,0.0837932027,0.0837932027,GGA+U,P2,AB12C3D_mP17_3_a_6e_abd_c:Mg-O-Te-W,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_abd_c:Mg-O-Te-W, expected MgTe3WO22 to be MgTe3WO12" +mp-2224751,MgTe3WO12,-6.6550599971,-1.7522016150000002,0.0757669386,0.0757669386,GGA+U,P2,AB12C3D_mP17_3_a_6e_bcd_a:Mg-O-Te-W,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_bcd_a:Mg-O-Te-W, expected MgTe3WO22 to be MgTe3WO12" +mp-2229435,MgTe3WO12,-6.6277584535,-1.7249000715,0.1030684821,0.1030684821,GGA+U,P2,AB12C3D_mP17_3_a_6e_acd_b:Mg-O-Te-W,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_abc_d:Mg-O-Te-W, expected MgTe3WO22 to be MgTe3WO12" +mp-2228996,MgTe3WO12,-6.6262810159,-1.7234226338,0.1045459198,0.1045459198,GGA+U,P2,AB12C3D_mP17_3_a_6e_abc_d:Mg-O-Te-W,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_acd_b:Mg-O-Te-W, expected MgTe3WO22 to be MgTe3WO12" +mp-2228921,MgCrTe(WO6)2,-7.8615562988,-1.9984293336,0.1332192912,0.1332192912,GGA+U,P1,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W,17.0,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W +mp-2229464,MgCrTe(WO6)2,-7.8508741365,-1.9877471713,0.1439014536,0.1439014536,GGA+U,P1,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W,17.0,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W +mp-2229137,MgCrTe(WO6)2,-7.8482999882,-1.985173023,0.1464756018,0.1464756018,GGA+U,P1,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W,17.0,ABC12DE2_aP17_1_a_a_12a_a_2a:Cr-Mg-O-Te-W +mp-756075,CrTe(WO6)2,-7.8593411212,-1.7297862239,0.1029732665,0.1029732665,GGA+U,P1,AB12CD2_aP16_1_a_12a_a_2a:Cr-O-Te-W,16.0,AB12CD2_aP16_1_a_12a_a_2a:Cr-O-Te-W +mp-2229026,MgTe(WO4)3,-8.1358840318,-2.0783404336,0.1240053156,0.1240053156,GGA+U,P1,AB12CD3_aP17_1_a_12a_a_3a:Mg-O-Te-W,17.0,AB12CD3_aP17_1_a_12a_a_3a:Mg-O-Te-W +mp-2229902,MgTe(WO4)3,-8.1654806953,-2.1079370972,0.0944086521,0.0944086521,GGA+U,P1,AB12CD3_aP17_1_a_12a_a_3a:Mg-O-Te-W,17.0,AB12CD3_aP17_1_a_12a_a_3a:Mg-O-Te-W +mp-2222794,MgTeWO6,-7.3559294789,-2.0912796521,0.1204269169,0.1204269169,GGA+U,P1,AB6CD_aP9_1_a_6a_a_a:Mg-O-Te-W,9.0,AB6CD_aP9_1_a_6a_a_a:Mg-O-Te-W +mp-2223111,MgTeWO6,-7.3783044211,-2.1136545944,0.0980519747,0.0980519747,GGA+U,R3,AB6CD_hR27_146_a_2b_a_a:Mg-O-Te-W,9.0,"Invalid WP multiplicities - AB6CD_hR27_146_a_6b_a_a:Mg-O-Te-W, expected MgTeWO18 to be MgTeWO6" +mp-1047405,Mg2TeWO6,-7.041703136,-2.1434902869,0.2511270005,0.2511270005,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Te-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-Te-W +mp-1370485,Mg2TeWO6,-7.055427294,-2.1572144449,0.2374028425,0.2374028425,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-Te-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-Te-W +mp-1019728,RbEu(PO3)4,-7.9176426032,-2.792586468,0.0218756585,0.0218756585,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Eu-O-P-Rb,72.0,AB12C4D_mP72_14_e_12e_4e_e:Eu-O-P-Rb +mp-18169,RbEuPO4,-8.1850883504,-2.9797178898,0.0060310796,0.0060310796,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Eu-O-P-Rb,28.0,AB4CD_oP28_62_c_2cd_c_c:Eu-O-P-Rb +mp-1198666,Rb7EuFe6(P4O17)2,-7.4915129209,-2.5016074958,0.0,-0.0071488013,GGA+U,P-1,AB6C34D8E7_aP56_2_b_3i_17i_4i_c3i:Eu-Fe-O-P-Rb,56.0,AB6C34D8E7_aP56_2_b_3i_17i_4i_c3i:Eu-Fe-O-P-Rb +mp-560843,Na4Zr2Ti(CO4)4,-8.0146195481,-2.5945204444,0.0,-0.0413150246,GGA,C2/c,A4B4C16DE2_mC108_15_2f_2f_8f_e_f:C-Na-O-Ti-Zr,54.0,"Invalid WP multiplicities - A4B4C16DE2_mC108_15_5f_6f_29f_e_f:C-Na-O-Ti-Zr, expected Na12Zr2Ti(C5O29)2 to be Na4Zr2Ti(CO4)4" +mp-1197594,Na4ZrC8O19,-7.0466452952,-1.3699511934,0.6792457133,0.6792457133,GGA,C222_1,A8B4C19D_oC128_20_4c_abc_a9c_a:C-Na-O-Zr,64.0,A8B4C19D_oC128_20_4c_abc_a9c_a:C-Na-O-Zr +mp-1048633,Ba2Ca3Tl2V4O12,-7.1630161348,-2.3684107162,0.3255916459,0.3255916459,GGA+U,I4/mmm,A2B3C12D2E4_tI46_139_e_ae_2e2g_e_2e:Ba-Ca-O-Tl-V,23.0,"Invalid WP multiplicities - A2B3C12D2E4_tI46_139_e_ae_4e6g_e_3e:Ba-Ca-O-Tl-V, expected Ba2Ca3Tl2V6O32 to be Ba2Ca3Tl2V4O12" +mp-1046784,BaTlV2O6,-7.248980309,-2.0360240596,0.4822628744,0.4822628744,GGA+U,P1,AB6CD2_aP20_1_2a_12a_2a_4a:Ba-O-Tl-V,20.0,AB6CD2_aP20_1_2a_12a_2a_4a:Ba-O-Tl-V +mp-1046359,Ba2TlV2O7,-7.2058956317,-2.2896267862,0.406448194,0.406448194,GGA+U,Pm,A2B7CD2_mP12_6_2b_4a3b_a_2a:Ba-O-Tl-V,12.0,A2B7CD2_mP12_6_2b_4a3b_a_2a:Ba-O-Tl-V +mp-541006,BaTlVO4,-7.2566087789,-2.5205689215,0.0,-0.0132122818,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_c:Ba-O-Tl-V,28.0,AB4CD_oP28_62_c_2cd_c_c:Ba-O-Tl-V +mp-1201081,AlCrMo6(H19O20)2,-6.2568311944,-1.5444630302,0.0186595644,0.0186595644,GGA+U,P-1,ABC38D6E40_aP86_2_b_c_19i_3i_20i:Al-Cr-H-Mo-O,86.0,ABC38D6E40_aP86_2_b_c_19i_3i_20i:Al-Cr-H-Mo-O +mp-1272417,SrLaVO4,-8.3044793396,-3.2335991292,0.0,-0.0113443975,GGA+U,Aem2,AB4CD_oC28_39_c_ab2c_c_c:La-O-Sr-V,28.0,"Invalid WP multiplicities - AB4CD_oC28_39_c_4a4b2c_c_c:La-O-Sr-V, expected SrLaVO10 to be SrLaVO4" +mp-1218174,SrLaVO4,-8.2864495464,-3.215569336,0.0180297932,0.0066853957,GGA+U,Cmcm,AB4CD_oC28_63_c_2cd_c_c:La-O-Sr-V,28.0,AB4CD_oC28_63_c_2cd_c_c:La-O-Sr-V +mp-1218139,SrLaVO4,-8.2900844743,-3.2192042638,0.0143948654,0.0030504679,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:La-O-Sr-V,14.0,AB4CD_tI14_107_a_2ab_a_a:La-O-Sr-V +mp-1520602,BaSrLaVO6,-7.8192471985,-3.0883958149,0.1508029488,0.1508029488,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-La-O-Sr-V,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-La-O-Sr-V, expected BaSrLaVO12 to be BaSrLaVO6" +mp-1520541,BaSrLaVO6,-7.8139861458,-3.0831347622,0.1560640016,0.1560640016,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-La-O-Sr-V,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-La-O-Sr-V +mp-1520540,BaSrLaVO6,-7.792071719,-3.0612203354,0.1779784283,0.1779784283,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-La-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-La-O-Sr-V +mp-1228930,Ba3LaV3O12,-8.1511184516,-3.0298071532,0.0548476284,0.0548476284,GGA+U,Cm,A3BC12D3_mC76_8_6a_2a_12a6b_6a:Ba-La-O-V,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_8_6a_2a_12a12b_6a:Ba-La-O-V, expected Ba3LaV3O18 to be Ba3LaV3O12" +mp-1517648,Ba2LaVO6,-7.8430549702,-3.089255438,0.1276250222,0.1276250222,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-V,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-La-O-V +mp-1517555,Ba2LaVO6,-7.847566374,-3.0937668418,0.1231136185,0.1231136185,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-V +mp-1522965,BaSrV4O12,-7.9900525239,-2.4731437901,0.2106077803,0.2106077803,GGA+U,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sr-V,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sr-V, expected BaSrV4O16 to be BaSrV4O12" +mp-1228399,Ba2SrV2O8,-7.8766129562,-3.0097848667,0.0097527431,0.0097527431,GGA+U,R3m,A2B8CD2_hR39_160_2a_2a2b_a_2a:Ba-O-Sr-V,13.0,A2B8CD2_hR39_160_2a_2a2b_a_2a:Ba-O-Sr-V +mp-1218724,Sr3LaV3O12,-8.1303401637,-3.0452627842,0.0390733811,0.0390733811,GGA+U,Cm,AB12C3D3_mC76_8_2a_12a6b_6a_6a:La-O-Sr-V,38.0,"Invalid WP multiplicities - AB12C3D3_mC76_8_2a_12a12b_6a_6a:La-O-Sr-V, expected Sr3LaV3O18 to be Sr3LaV3O12" +mp-1214937,Ba2LaV3O11,-8.3367742971,-3.0168183548,0.0131393187,0.0131393187,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-La-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-La-O-V +mp-1198376,Cs5V5FeCl6O13,-6.5781692935,-2.1193447393,0.1260359603,0.1260359603,GGA+U,P4/nmm,A6B5CD13E5_tP60_129_fi_cj_a_ch2i_ci:Cl-Cs-Fe-O-V,60.0,A6B5CD13E5_tP60_129_fi_cj_a_ch2i_ci:Cl-Cs-Fe-O-V +mp-1102108,Cs2VCl5O4,-4.1112370367,-0.7858912901,0.829102615,0.829102615,GGA+U,C2/m,A5B2C4D_mC24_12_a2i_i_j_d:Cl-Cs-O-V,12.0,A5B2C4D_mC24_12_a2i_i_j_c:Cl-Cs-O-V +mp-1105709,Cs3V(Cl3O2)2,-3.9849392671,-0.9386472678,0.7739957537000001,0.7739957537000001,GGA+U,Immm,A6B3C4D_oI28_71_en_cg_l_b:Cl-Cs-O-V,14.0,A6B3C4D_oI28_71_en_cg_l_b:Cl-Cs-O-V +mp-1180189,NaAl3Cr2O14,-6.911452075,-1.855502591,0.2976454213,0.2976454213,GGA+U,R-3m,A3B2CD14_hR60_166_d_c_a_c2h:Al-Cr-Na-O,20.0,A3B2CD14_hR60_166_d_c_a_c2h:Al-Cr-Na-O +mp-1210245,NaAlCr2(HO4)2,-6.4274626854,-1.375094268,0.7039829421,0.7039829421,GGA+U,C2/c,AB2C2DE8_mC56_15_c_f_f_e_4f:Al-Cr-H-Na-O,28.0,AB2C2DE8_mC56_15_c_f_f_e_4f:Al-Cr-H-Na-O +mp-734454,Na2Cr(HO)8,-5.6933354825,-1.5347346348,0.0079058059,0.0079058059,GGA+U,P2_1/c,AB8C2D8_mP76_14_e_8e_2e_8e:Cr-H-Na-O,76.0,AB8C2D8_mP76_14_e_8e_2e_8e:Cr-H-Na-O +mp-1211049,Na2Cr2H2O7,-6.0645655313,-1.1904564086,0.6546109946,0.6546109946,GGA+U,P2_1,A2B2C2D7_mP52_4_4a_4a_4a_14a:Cr-H-Na-O,52.0,A2B2C2D7_mP52_4_4a_4a_4a_14a:Cr-H-Na-O +mp-1193153,NaAlCr2O10,-6.7784990264000005,-1.5041359424,0.3089349971,0.3089349971,GGA+U,C2/c,AB2CD10_mC56_15_c_f_e_5f:Al-Cr-Na-O,28.0,AB2CD10_mC56_15_a_f_e_5f:Al-Cr-Na-O +mp-1211141,Na5Al(HO)8,-5.2222581413,-1.7189163073,0.0248140776,0.0248140776,GGA,P4_12_12,AB8C5D8_tP88_92_a_4b_a2b_4b:Al-H-Na-O,88.0,AB8C5D8_tP88_92_a_4b_a2b_4b:Al-H-Na-O +mp-1197684,Na5Al(HO)8,-5.2244770674,-1.7211352334,0.0225951515,0.0225951515,GGA,P4_32_12,AB8C5D8_tP88_96_a_4b_a2b_4b:Al-H-Na-O,88.0,AB8C5D8_tP88_96_a_4b_a2b_4b:Al-H-Na-O +mp-1199831,Na9Al2(H9O7)3,-5.242305281,-1.6003062056,0.0205473261,0.0205473261,GGA,P-1,A2B27C9D21_aP118_2_2i_27i_9i_21i:Al-H-Na-O,118.0,A2B27C9D21_aP118_2_2i_27i_9i_21i:Al-H-Na-O +mp-1204421,Na4Cr2H6O11,-6.0225578024,-1.7022913586,0.0102967475,0.0102967475,GGA+U,Fdd2,A2B6C4D11_oF184_43_b_3b_2b_a5b:Cr-H-Na-O,46.0,A2B6C4D11_oF184_43_b_3b_2b_a5b:Cr-H-Na-O +mp-758693,Na4Al4H10O13,-5.9481141784,-2.1253200432,0.0096644701,0.0096644701,GGA,P-42_1m,A4B10C4D13_tP62_113_f_e2f_2e_c2e2f:Al-H-Na-O,62.0,"Invalid WP multiplicities - A4B10C4D13_tP62_113_f_4e13f_5e_2c8e14f:Al-H-Na-O, expected Na5Al2H30O37 to be Na4Al4H10O13" +mp-758584,Na5CrHO4,-5.130642524,-1.5447193579,0.1028485424,0.1028485424,GGA+U,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Cr-H-Na-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Cr-H-Na-O, expected Na34Cr5H2O27 to be Na5CrHO4" +mp-863376,Na9Cr2(H9O7)3,-5.3576059326,-1.5153535812,0.0141968517,0.0141968517,GGA+U,P-1,A2B27C9D21_aP118_2_2i_27i_9i_21i:Cr-H-Na-O,118.0,"Invalid WP multiplicities - A2B27C9D21_aP118_2_3i_53i_17i_41i:Cr-H-Na-O, expected Na17Cr3H53O41 to be Na9Cr2(H9O7)3" +mp-1199268,Na2Cr2H4O9,-6.3491520163,-1.6407844806,0.0130395847,0.0130395847,GGA+U,P2_1,A2B4C2D9_mP68_4_4a_8a_4a_18a:Cr-H-Na-O,68.0,A2B4C2D9_mP68_4_4a_8a_4a_18a:Cr-H-Na-O +mp-552028,Nd2Ti2S2O5,-8.5791708791,-3.2761143165,0.0,-0.040333118,GGA,I4/mmm,A2B5C2D2_tI22_139_e_ag_e_e:Nd-O-S-Ti,11.0,A2B5C2D2_tI22_139_e_ag_e_e:Nd-O-S-Ti +mp-2241459,Nd2MgTi2S2O5,-7.9737203992,-2.979228546,0.1500110512,0.1500110512,GGA,P4mm,AB2C5D2E2_tP12_99_b_ab_a2c_ab_2a:Mg-Nd-O-S-Ti,12.0,"Invalid WP multiplicities - AB2C5D2E2_mC24_8_a_2a_a4b_2a_2a:Mg-Nd-O-S-Ti, expected Nd2MgTi2S2O9 to be Nd2MgTi2S2O5" +mp-2218170,Nd2MgTi2S2O5,-7.9526174925,-2.9581256393,0.1711139579,0.1711139579,GGA,I-4m2,AB2C5D2E2_tI24_119_c_e_a2f_e_e:Mg-Nd-O-S-Ti,12.0,"Invalid WP multiplicities - AB2C5D2E2_tI24_119_c_e_a3f_e_e:Mg-Nd-O-S-Ti, expected Nd2MgTi2S2O7 to be Nd2MgTi2S2O5" +mp-2218218,Nd2MgTi2S2O5,-7.8877163117,-2.8932244585,0.2360151387,0.2360151387,GGA,I4/mmm,AB2C5D2E2_tI24_139_a_e_bg_e_e:Mg-Nd-O-S-Ti,12.0,AB2C5D2E2_tI24_139_a_e_bg_e_e:Mg-Nd-O-S-Ti +mp-1101318,Ti3Cr2Sn(PO4)6,-8.2545945906,-2.7489699529,0.0610315228,0.0610315228,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cr-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Cr-O-P-Sn-Ti, expected Ti3Cr2Sn(PO11)6 to be Ti3Cr2Sn(PO4)6" +mp-776286,Ti3CrSn2(PO4)6,-8.1362045594,-2.7873431333000003,0.0018331804,0.0018331804,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cr-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Cr-O-P-Sn-Ti, expected Ti3CrSn2(P3O22)3 to be Ti3CrSn2(PO4)6" +mp-1226881,CsNb4Ag(PS10)2,-5.9249427311,-1.0074862708,0.0,-0.0109314535,GGA,P2_1,ABC4D2E20_mP56_4_a_a_4a_2a_20a:Ag-Cs-Nb-P-S,56.0,ABC4D2E20_mP56_4_a_a_4a_2a_20a:Ag-Cs-Nb-P-S +mp-554336,NbAg2(PS4)2,-5.2731119046,-0.6819872127000001,0.0121077245,0.0121077245,GGA,Pnma,A2BC2D8_oP104_62_2d_d_2d_4c6d:Ag-Nb-P-S,104.0,"Invalid WP multiplicities - A2BC2D8_oP104_62_8d_d_8d_15c38d:Ag-Nb-P-S, expected Nb2Ag16P16S91 to be NbAg2(PS4)2" +mp-554930,Nb2AgPS10,-5.8846222746,-0.8979817562,0.0024858791,0.0024858791,GGA,C2/c,AB2CD10_mC112_15_f_2f_f_10f:Ag-Nb-P-S,56.0,"Invalid WP multiplicities - AB2CD10_mC112_15_f_4f_f_37f:Ag-Nb-P-S, expected Nb4AgPS37 to be Nb2AgPS10" +mp-641699,CsNb2PS10,-5.9409144014,-1.0926419995,0.0,-0.028652985,GGA,Pc,AB2CD10_mP56_7_2a_4a_2a_20a:Cs-Nb-P-S,56.0,"Invalid WP multiplicities - AB2CD10_mP56_7_3a_8a_4a_36a:Cs-Nb-P-S, expected Cs3Nb8(PS9)4 to be CsNb2PS10" +mp-772015,FeSn3(PO4)6,-7.3539756626,-2.3040026954,0.059854536,0.059854536,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Fe-O-P-Sn,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Fe-O-P-Sn, expected FeSn3(PO10)6 to be FeSn3(PO4)6" +mp-774807,Fe2Sn(PO4)3,-7.6682093778,-2.3043323594,0.0804747634,0.0804747634,GGA+U,R-3c,A2B12C3D_hR108_167_c_2f_e_b:Fe-O-P-Sn,36.0,"Invalid WP multiplicities - A2B12C3D_hR108_167_c_13f_e_b:Fe-O-P-Sn, expected Fe2Sn(PO26)3 to be Fe2Sn(PO4)3" +mp-1178492,Cu3Sn(PO4)4,-6.9257798421,-2.0463039558,0.0391819516,0.0391819516,GGA,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Sn,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-Sn +mp-775221,Fe3Cu2Sn(PO4)6,-7.4342109478,-2.1892555885,0.0555401967,0.0555401967,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Fe-O-P-Sn, expected Fe3Cu2Sn(PO11)6 to be Fe3Cu2Sn(PO4)6" +mp-1178211,FeSn(PO4)2,-7.6160645646,-2.3760889172,0.0334558964,0.0334558964,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-Sn,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Fe-O-P-Sn, expected FeSn(PO5)3 to be FeSn(PO4)2" +mp-772062,Fe5Sn(PO4)6,-7.8195971622,-2.3318187729,0.0282506592,0.0282506592,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-Sn,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-Sn, expected Fe5Sn(PO10)6 to be Fe5Sn(PO4)6" +mp-1181901,Cu4SnP10,-4.7204739793,0.2488209274,0.3718372867,0.3501235597,GGA,Cm,A4B10C_mC30_8_2ab_4a3b_a:Cu-P-Sn,15.0,A4B10C_mC30_8_2ab_4a3b_a:Cu-P-Sn +mp-34126,Cu4SnP10,-5.092311266,-0.1230163592,0.0,-0.021713727,GGA,R3m,A4B10C_hR45_160_ab_a3b_a:Cu-P-Sn,15.0,"Invalid WP multiplicities - A4B10C_hR45_160_ab_a6b_a:Cu-P-Sn, expected Cu4SnP19 to be Cu4SnP10" +mp-758849,CuSn(PO4)2,-7.1003250517,-2.2245839493,0.0392099029,0.0392099029,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cu-O-P-Sn,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cu-O-P-Sn, expected CuSn(PO5)3 to be CuSn(PO4)2" +mp-778517,Mn3Sn(PO4)6,-7.6167819156,-2.2433712732,0.0638698915,0.0638698915,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Mn-O-P-Sn,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_22b_2b_a:Mn-O-P-Sn, expected Mn3Sn(PO11)6 to be Mn3Sn(PO4)6" +mp-775753,MnSn(PO4)2,-7.7735908458,-2.475949025,0.0246613033,0.0246613033,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-Sn,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-Sn +mp-774344,Mn5Sn(PO4)6,-8.0080286394,-2.424139961,0.0382272303,0.0382272303,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Mn-O-P-Sn, expected Mn5Sn(PO10)6 to be Mn5Sn(PO4)6" +mp-756328,MnSn3(PO4)4,-7.4679761929,-2.3850195153,0.0701435124,0.0701435124,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-Sn,96.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-Sn +mp-778765,Mn7Sn(PO4)12,-7.66490763,-2.2157257606,0.0704848751,0.0704848751,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Sn,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-Sn +mp-776007,Ti3Mn2Sn(PO4)6,-8.2688620492,-2.790516977,0.05187351,0.05187351,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Mn-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Mn-O-P-Sn-Ti, expected Ti3Mn2Sn(P3O22)3 to be Ti3Mn2Sn(PO4)6" +mp-756099,Mn3Sn(PO4)4,-7.9655511937,-2.4532242297,0.0187037458,0.0187037458,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Sn,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-Sn +mp-1101302,Ti3MnSn2(PO4)6,-8.1382632658,-2.8030416224,0.0092288087,0.0092288087,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Mn-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_2b_2a_3a:Mn-O-P-Sn-Ti, expected Ti3MnSn2(PO11)6 to be Ti3MnSn2(PO4)6" +mp-774768,Mn2Sn(PO4)3,-7.8280890111,-2.3873237614,0.0941649983,0.0941649983,GGA+U,R-3c,A2B12C3D_hR108_167_c_2f_e_b:Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A2B12C3D_hR108_167_c_13f_e_b:Mn-O-P-Sn, expected Mn2Sn(PO26)3 to be Mn2Sn(PO4)3" +mp-2229906,MgV2Bi4O11,-6.9546353506,-1.9799895431,0.1381447673,0.1381447673,GGA+U,P1,A4BC11D2_aP18_1_4a_a_11a_2a:Bi-Mg-O-V,18.0,A4BC11D2_aP18_1_4a_a_11a_2a:Bi-Mg-O-V +mp-2229643,MgV2Bi4O11,-6.9701561628,-1.9955103553,0.122623955,0.122623955,GGA+U,P1,A4BC11D2_aP18_1_4a_a_11a_2a:Bi-Mg-O-V,18.0,A4BC11D2_aP18_1_4a_a_11a_2a:Bi-Mg-O-V +mp-2230946,MgV4(PbO6)2,-7.7820667542,-2.2704108066,0.0941501775,0.0941501775,GGA+U,Cm,AB12C2D4_mC38_8_a_12a_2a_4a:Mg-O-Pb-V,19.0,AB12C2D4_mC38_8_a_12a_2a_4a:Mg-O-Pb-V +mp-2228385,MgV4(PbO6)2,-7.7650034911,-2.2533475434,0.1112134407,0.1112134407,GGA+U,Cm,AB12C2D4_mC38_8_a_12a_2a_4a:Mg-O-Pb-V,19.0,AB12C2D4_mC38_8_a_12a_2a_4a:Mg-O-Pb-V +mp-2230576,MgV4(PbO6)2,-7.7884987705,-2.2768428229,0.0877181612,0.0877181612,GGA+U,C2/m,AB12C2D4_mC38_12_a_6i_i_2i:Mg-O-Pb-V,19.0,"Invalid WP multiplicities - AB12C2D4_mC38_12_a_7i_i_2i:Mg-O-Pb-V, expected MgV4(PbO7)2 to be MgV4(PbO6)2" +mp-2230523,MgV4(PbO6)2,-7.6835207037,-2.1718647561,0.192696228,0.192696228,GGA+U,C2/m,AB12C2D4_mC38_12_a_6i_i_2i:Mg-O-Pb-V,19.0,"Invalid WP multiplicities - AB12C2D4_mC38_12_a_7i_i_2i:Mg-O-Pb-V, expected MgV4(PbO7)2 to be MgV4(PbO6)2" +mp-2225008,MgV2Pb3O8,-7.0681950486,-2.0339419707,0.1448430539,0.1448430539,GGA+U,P1,AB8C3D2_aP14_1_a_8a_3a_2a:Mg-O-Pb-V,14.0,AB8C3D2_aP14_1_a_8a_3a_2a:Mg-O-Pb-V +mp-2240997,MgV2Pb3O8,-7.0915023736,-2.0572492957,0.1215357289,0.1215357289,GGA+U,P1,AB8C3D2_aP14_1_a_8a_3a_2a:Mg-O-Pb-V,14.0,AB8C3D2_aP14_1_a_8a_3a_2a:Mg-O-Pb-V +mp-2224774,MgVPbO3,-6.6042580683,-1.7314415144000002,0.601427488,0.601427488,GGA+U,Pmm2,AB3CD_oP6_25_a_abd_c_b:Mg-O-Pb-V,6.0,AB3CD_oP6_25_a_abd_c_b:Mg-O-Pb-V +mp-2240536,MgVPbO3,-6.768852285,-1.896035731,0.4368332713,0.4368332713,GGA+U,P4mm,AB3CD_tP6_99_a_bc_a_b:Mg-O-Pb-V,6.0,AB3CD_tP6_99_a_bc_a_b:Mg-O-Pb-V +mp-2241945,MgVPbO3,-6.203414205,-1.3305976510000002,1.0022713513,1.0022713513,GGA+U,P4mm,AB3CD_tP6_99_a_ac_b_a:Mg-O-Pb-V,6.0,AB3CD_tP6_99_a_ac_b_a:Mg-O-Pb-V +mp-557238,MgV2PbO7,-7.69778328,-2.4152778038,0.0,-0.0016186385,GGA+U,P2_1/c,AB7CD2_mP88_14_2e_14e_2e_4e:Mg-O-Pb-V,88.0,"Invalid WP multiplicities - AB7CD2_mP88_14_5e_52e_5e_11e:Mg-O-Pb-V, expected Mg5V11Pb5O52 to be MgV2PbO7" +mp-1208910,V5Bi17Pb5O43,-6.7278486074,-1.8424386718,0.0302691681,0.0302691681,GGA+U,Cm,A17B43C5D5_mC140_8_5a6b_5a19b_3ab_a2b:Bi-O-Pb-V,70.0,A17B43C5D5_mC140_8_5a6b_5a19b_3ab_a2b:Bi-O-Pb-V +mp-2219041,MgV2(BiO4)2,-7.3125228738,-2.1569397862,0.1365120808,0.1365120808,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Bi-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_6c_ab:Bi-Mg-O-V, expected MgV2(BiO6)2 to be MgV2(BiO4)2" +mp-1377306,MgV2(BiO5)2,-7.1350493777,-2.0073188735,0.1447968431,0.1447968431,GGA+U,P2_1,A2BC10D2_mP30_4_2a_a_10a_2a:Bi-Mg-O-V,30.0,"Invalid WP multiplicities - A2BC10D2_mP30_4_3a_a_19a_4a:Bi-Mg-O-V, expected MgV4Bi3O19 to be MgV2(BiO5)2" +mp-1028274,Mg14VBi,-2.1540126325,0.0540071112,0.1070566555,0.1070566555,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-V, expected Mg18VBi to be Mg14VBi" +mp-1028282,Mg14VBi,-2.1493870744,0.0586326694,0.1116822136,0.1116822136,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-V, expected Mg26VBi to be Mg14VBi" +mp-560699,VBiPbO5,-7.2018179506,-2.0305072223,0.0,-0.0104816923,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Bi-O-Pb-V,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Bi-O-Pb-V +mp-23642,VBiPbO5,-7.2000556144,-2.0287448861,0.0017623363,-0.008719356,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_i:Bi-O-Pb-V,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_i:Bi-O-Pb-V, expected VBiPbO9 to be VBiPbO5" +mp-23637,VBiPbO5,-7.1843756506,-2.0130649223,0.0174423,0.0069606077,GGA+U,C2/m,AB5CD_mC32_12_i_g2ij_i_i:Bi-O-Pb-V,16.0,"Invalid WP multiplicities - AB5CD_mC32_12_i_g2i2j_i_i:Bi-O-Pb-V, expected VBiPbO7 to be VBiPbO5" +mp-1021675,Mg6VBi,-2.7064433556000003,0.1093160819,0.1908313517,0.1908313517,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-V, expected Mg12VBi to be Mg6VBi" +mp-1021676,Mg6VBi,-2.7169549631,0.0988044744,0.1803197442,0.1803197442,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-V, expected Mg12VBi to be Mg6VBi" +mp-1208079,V4Bi6PbO20,-7.2832151358,-2.0566028663,0.0,-0.0102050106,GGA+U,P-1,A6B20CD4_aP31_2_3i_10i_a_2i:Bi-O-Pb-V,31.0,A6B20CD4_aP31_2_3i_10i_a_2i:Bi-O-Pb-V +mp-1368037,MgVBiO6,-6.8969498639,-1.9853045842,0.1614537424,0.1614537424,GGA+U,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Bi-Mg-O-V,18.0,ABC6D_mP18_11_e_e_2e2f_e:Bi-Mg-O-V +mp-1031470,Mg6VBiO8,-6.2986867669,-2.4174626925,0.3608599074,0.3608599074,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-V, expected Mg6VBiO12 to be Mg6VBiO8" +mp-1031483,Mg6VBiO8,-6.2806836331,-2.3994595588,0.3788630411,0.3788630411,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-V, expected Mg6VBiO12 to be Mg6VBiO8" +mp-2227171,MgVBiO4,-6.9831146686,-2.0814817979,0.3018429226,0.3018429226,GGA+U,C2,ABC4D_mC14_5_b_a_2c_a:Bi-Mg-O-V,7.0,ABC4D_aP7_1_a_a_4a_a:Bi-Mg-O-V +mp-1377991,Mg3V2(BiO6)2,-6.9369702311,-2.1996073318,0.1684199678,0.1684199678,GGA+U,Pm,A2B3C12D2_mP19_6_ab_2ab_2a2b4c_ab:Bi-Mg-O-V,19.0,"Invalid WP multiplicities - A2B3C12D2_mP19_6_ab_2ab_2a2b7c_ab:Bi-Mg-O-V, expected Mg3V2(BiO9)2 to be Mg3V2(BiO6)2" +mp-2220546,MgV2Bi2(PbO5)2,-6.9473063853,-1.9860562851,0.1258893914,0.1258893914,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Bi-Mg-O-Pb-V,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Bi-Mg-O-Pb-V +mp-2215962,MgV2Bi2(PbO5)2,-6.8709158776,-1.9096657775,0.2022798991,0.2022798991,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Bi-Mg-O-Pb-V,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Bi-Mg-O-Pb-V +mp-2215947,MgV2Bi2(PbO5)2,-6.8399421212,-1.878692021,0.2332536556,0.2332536556,GGA+U,C2,A2BC10D2E2_mC34_5_c_a_2b4c_c_c:Bi-Mg-O-Pb-V,17.0,A2BC10D2E2_mC34_5_c_a_2b4c_c_c:Bi-Mg-O-Pb-V +mp-2220481,MgV2Bi2(PbO5)2,-6.8790863394,-1.9178362393,0.1941094373,0.1941094373,GGA+U,Cm,A2BC10D2E2_mC34_8_2a_a_4a3b_2a_2a:Bi-Mg-O-Pb-V,17.0,"Invalid WP multiplicities - A2BC10D2E2_mC34_8_2a_a_4a5b_2a_2a:Bi-Mg-O-Pb-V, expected MgV2Bi2(PbO7)2 to be MgV2Bi2(PbO5)2" +mp-2215813,MgV2Bi2(PbO5)2,-6.8624239253,-1.9011738251,0.2107718514,0.2107718514,GGA+U,C2/m,A2BC10D2E2_mC34_12_i_a_g2ij_i_i:Bi-Mg-O-Pb-V,17.0,"Invalid WP multiplicities - A2BC10D2E2_mC34_12_i_a_g2i2j_i_i:Bi-Mg-O-Pb-V, expected MgV2Bi2(PbO7)2 to be MgV2Bi2(PbO5)2" +mp-23134,Mg2VBiO6,-7.1177893688,-2.537280612,0.0056099417,0.0056099417,GGA+U,Pnma,AB2C6D_oP40_62_c_2c_2c2d_c:Bi-Mg-O-V,40.0,AB2C6D_oP40_62_c_2c_2c2d_c:Bi-Mg-O-V +mp-23111,Mg2VBiO6,-7.115556471,-2.5350477143,0.0078428395,0.0078428395,GGA+U,Cmcm,AB2C6D_oC40_63_c_g_efg_c:Bi-Mg-O-V,20.0,AB2C6D_oC40_63_c_g_efg_c:Bi-Mg-O-V +mp-1036732,Mg30VBiO32,-6.3103130678,-2.8848937638,0.1002171108,0.1002171108,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-V, expected Mg90VBiO80 to be Mg30VBiO32" +mp-1036755,Mg30VBiO32,-6.3130794313,-2.8876601272,0.0974507473,0.0974507473,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-V, expected Mg110VBiO72 to be Mg30VBiO32" +mp-1034465,Mg14VBiO16,-6.2915632797,-2.7142090522,0.2019723974,0.2019723974,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-V, expected Mg18VBiO20 to be Mg14VBiO16" +mp-1034245,Mg14VBiO16,-6.2958033425,-2.7184491150000003,0.1977323346,0.1977323346,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-V, expected Mg30VBiO32 to be Mg14VBiO16" +mp-1216962,V3Bi(PbO4)3,-7.4610253942,-2.1141615476,0.0,-0.0168611225,GGA+U,Cc,AB12C3D3_mC76_9_a_12a_3a_3a:Bi-O-Pb-V,38.0,"Invalid WP multiplicities - AB12C3D3_mC76_9_a_24a_6a_4a:Bi-O-Pb-V, expected V4Bi(PbO4)6 to be V3Bi(PbO4)3" +mp-704114,VBi(PbO3)2,-6.9235863087,-1.920604148,0.0013761979,-0.001420612,GGA+U,Pc,AB6C2D_mP80_7_4a_24a_8a_4a:Bi-O-Pb-V,80.0,"Invalid WP multiplicities - AB6C2D_mP80_7_8a_48a_16a_7a:Bi-O-Pb-V, expected V7Bi8(PbO3)16 to be VBi(PbO3)2" +mp-640883,VBi(PbO3)2,-6.9249625066,-1.9219803459,0.0,-0.0027968099,GGA+U,P2_1/c,AB6C2D_mP80_14_2e_12e_4e_2e:Bi-O-Pb-V,80.0,"Invalid WP multiplicities - AB6C2D_mP80_14_5e_45e_11e_6e:Bi-O-Pb-V, expected V6Bi5Pb11O45 to be VBi(PbO3)2" +mp-631621,VBi(PbO3)2,-6.8943923398,-1.891410179,0.0305701669,0.027773357,GGA+U,Pnma,AB6C2D_oP40_62_c_2c2d_2c_c:Bi-O-Pb-V,40.0,"Invalid WP multiplicities - AB6C2D_oP40_62_c_6c7d_6c_c:Bi-O-Pb-V, expected VBi(Pb3O10)2 to be VBi(PbO3)2" +mp-561538,MgVBiO5,-7.3223679681,-2.4151031173,0.0,-0.0192458092,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-V,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-V, expected MgVBiO15 to be MgVBiO5" +mp-1042624,MgVBiO5,-7.2641685273,-2.3569036766,0.0581994408,0.0389536316,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-V,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-V, expected MgVBiO31 to be MgVBiO5" +mp-866635,CuH3NCl,-4.6941137604000005,-0.6170443621,0.0122986527,0.0122986527,GGA,I2_13,ABC3D_cI48_199_a_a_c_a:Cl-Cu-H-N,24.0,ABC3D_cI48_199_a_a_c_a:Cl-Cu-H-N +mp-1213238,CuH2(NCl2)2,-3.1523409444,0.7311918611,1.3993352078,1.3993352078,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-H-N,18.0,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-H-N +mp-862687,CuH6(NCl)2,-4.7272515745,-0.6521946555,0.0343613607,0.0343613607,GGA,Cmcm,A2BC6D2_oC44_63_2c_c_gh_g:Cl-Cu-H-N,22.0,"Invalid WP multiplicities - A2BC6D2_oC44_63_3c_c_2g3h_g:Cl-Cu-H-N, expected CuH16N2Cl3 to be CuH6(NCl)2" +mp-1202875,CuH5N2Cl3,-4.5814596357,-0.6467835698000001,0.0920391394,0.0920391394,GGA,Pnma,A3BC5D2_oP44_62_3c_c_c2d_2c:Cl-Cu-H-N,44.0,A3BC5D2_oP44_62_3c_c_c2d_2c:Cl-Cu-H-N +mp-23857,CoCuH18N6Cl5,-4.926166938,-0.6829977081,0.0086377292,0.0086377292,GGA,Fd-3c,A5BCD18E6_cF992_228_eg_c_b_3h_h:Cl-Co-Cu-H-N,248.0,A5BCD18E6_cF992_228_eg_c_b_3h_h:Cl-Co-Cu-H-N +mp-1523291,KLaSmSbO6,-7.276662844,-2.8192502746,0.1494854037,0.1494854037,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Sm +mp-733466,Ag2As3S6N,-4.2937858238,0.1060192886,0.4559573468,0.4559573468,GGA,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:Ag-As-N-S,48.0,A2B3CD6_mP48_14_2e_3e_e_6e:Ag-As-N-S +mp-1182568,AsS4N3,-5.2676796556,0.5091206753,0.6604259522,0.6604259522,GGA,P2_1/m,AB3C4_mP32_11_2e_2e2f_4e2f:As-N-S,32.0,"Invalid WP multiplicities - AB3C4_mP32_11_4e_4e8f_8e8f:As-N-S, expected AsS6N5 to be AsS4N3" +mp-1199658,AsS4N3,-5.0249911006,0.7518092303,0.9031145072,0.9031145072,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-N-S,32.0,AB3C4_oP32_62_c_cd_2cd:As-N-S +mp-1200088,AsS4N3,-5.5984692497,0.1783310813,0.3296363581,0.3296363581,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:As-N-S,32.0,AB3C4_oP32_62_c_cd_2cd:As-N-S +mp-1181427,FeAgAs(S2N3)2,-5.8199181269,0.5282714604000001,0.8356446653,0.8356446653,GGA,P-4n2,ABCD6E4_tP26_118_a_b_c_fi_i:Ag-As-Fe-N-S,26.0,ABCD6E4_tP26_118_a_b_c_fi_i:Ag-As-Fe-N-S +mp-1245682,FeAgN,-6.3014660167,0.2448913628,0.4546492544,0.4546492544,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Fe-N,12.0,ABC_oP12_62_c_c_c:Ag-Fe-N +mp-1080805,Ag2AsS4N,-4.02517807,0.3756375305,0.6471504664000001,0.6471504664000001,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-As-N-S,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-As-N-S +mp-554430,NaCu(IO3)3,-4.9044524796,-1.0214503786,0.0,-0.0025693336,GGA,P-1,AB3CD9_aP28_2_ab_3i_i_9i:Cu-I-Na-O,28.0,"Invalid WP multiplicities - AB3CD9_aP28_2_ab_4i_i_15i:Cu-I-Na-O, expected NaCuI4O15 to be NaCu(IO3)3" +mp-1179909,NaCu(IO2)2,-3.8529457494,-0.3335433108,0.7394407709,0.7394407709,GGA,C2/c,AB2CD4_mC32_15_e_f_e_2f:Cu-I-Na-O,16.0,AB2CD4_mC32_15_e_f_e_2f:Cu-I-Na-O +mp-1147747,Na2Li2Cu(IO)2,-3.8265522089,-1.2263063075,0.3655471996,0.3655471996,GGA,I4/mmm,AB2C2D2E2_tI18_139_a_e_d_e_c:Cu-I-Li-Na-O,9.0,AB2C2D2E2_tI18_139_a_e_d_e_c:Cu-I-Li-Na-O +mp-1194854,Na2Yb2B2TeO10,-6.7038840109,-2.4866343818,0.0,-0.0037304465,GGA,P2_1/c,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Yb,,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Yb +mp-703343,Li2Sn(H5O4)2,-5.4239875805,-1.5512167363,0.0065535357,0.0034009169,GGA,P2_1/c,A10B2C8D_mP42_14_5e_e_4e_a:H-Li-O-Sn,42.0,A10B2C8D_mP42_14_5e_e_4e_a:H-Li-O-Sn +mp-1195757,Li2Sn(H5O4)2,-5.4305411162,-1.557770272,0.0,-0.0031526188,GGA,P2_1/c,A10B2C8D_mP42_14_5e_e_4e_a:H-Li-O-Sn,42.0,A10B2C8D_mP42_14_5e_e_4e_a:H-Li-O-Sn +mp-1194119,Li2Sn(HO)6,-5.521236848,-1.6636431063,0.0009355923,0.0009355923,GGA,P2_1/c,A6B2C6D_mP30_14_3e_e_3e_a:H-Li-O-Sn,30.0,A6B2C6D_mP30_14_3e_e_3e_a:H-Li-O-Sn +mp-1195382,Li2SnH14Se3O7,-4.9588385985,-1.2388335011,0.0,-0.0047124595,GGA,P-1,A14B2C7D3E_aP54_2_14i_2i_7i_3i_i:H-Li-O-Se-Sn,54.0,A14B2C7D3E_aP54_2_14i_2i_7i_3i_i:H-Li-O-Se-Sn +mp-1029801,CsMn2N3,-7.7390180246,-0.367531736,0.0441688523,0.0441688523,GGA,C2/c,AB2C3_mC48_15_2e_2f_3f:Cs-Mn-N,24.0,AB2C3_mC48_15_2e_2f_3f:Cs-Mn-N +mp-863692,CsMn(CN)3,-8.133564775,-0.2894524104,0.0067545233,0.0067545233,GGA,Fm-3m,A3BCD3_cF64_225_e_c_ab_e:C-Cs-Mn-N,16.0,A3BCD3_cF64_225_e_c_ab_e:C-Cs-Mn-N +mp-640345,Cs2MnFe(CN)6,-8.0772718613,-0.2764091268,0.0,-0.0006445242,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Mn-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Mn-N +mp-567650,Mn2Fe(CN)6,-8.79376359,0.0185706966,0.188035738,0.188035738,GGA,P-31m,A6BC2D6_hP15_162_k_a_d_k:C-Fe-Mn-N,15.0,A6BC2D6_hP15_162_k_a_d_k:C-Fe-Mn-N +mp-1245987,CsMnN,-6.2726048567,-0.1413006603,0.1774829974,0.1774829974,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-Mn-N,12.0,ABC_oP12_62_c_c_c:Cs-Mn-N +mp-1204958,CsMnN9,-7.8629886902,-0.1279094185,0.1110774657,0.1110774657,GGA,P2_1/c,ABC9_mP44_14_e_e_9e:Cs-Mn-N,44.0,ABC9_mP44_14_e_e_9e:Cs-Mn-N +mp-559064,SnP2(Cl5O)2,-4.4173855068,-1.5363907808,0.0,-0.0021815892,GGA,Pnnm,A10B2C2D_oP60_58_4g3h_2g_2g_g:Cl-O-P-Sn,60.0,"Invalid WP multiplicities - A10B2C2D_oP60_58_16g20h_7g_8g_g:Cl-O-P-Sn, expected SnP8(Cl8O)7 to be SnP2(Cl5O)2" +mp-560060,NdSn2P10Cl37O12,-4.8592814321,-1.7193388972,0.0,-0.0086307902,GGA,P-1,A37BC12D10E2_aP124_2_37i_i_12i_10i_2i:Cl-Nd-O-P-Sn,124.0,"Invalid WP multiplicities - A37BC12D10E2_aP124_2_73i_i_24i_20i_4i:Cl-Nd-O-P-Sn, expected NdSn4P20Cl73O24 to be NdSn2P10Cl37O12" +mp-725947,SnPClO2,-5.9435017155,-1.7105440267,0.1909502516,0.1909502516,GGA,Pnma,AB2CD_oP20_62_c_d_c_c:Cl-O-P-Sn,20.0,AB2CD_oP20_62_c_d_c_c:Cl-O-P-Sn +mp-555836,Sn2PClO4,-6.5237261894,-2.1402589742,0.0,-0.0106195566,GGA,Ama2,AB4CD2_oC32_40_a_2bc_b_c:Cl-O-P-Sn,16.0,"Invalid WP multiplicities - AB4CD2_oC32_40_a_4b2c_b_c:Cl-O-P-Sn, expected Sn2PClO8 to be Sn2PClO4" +mp-729459,SnP2Cl8O3,-4.8341927118,-1.6581544059,0.0235567689,0.0198757497,GGA,P1,A8B3C2D_aP28_1_16a_6a_4a_2a:Cl-O-P-Sn,28.0,"Invalid WP multiplicities - A8B3C2D_aP28_2_16i_4i_4i_i:Cl-O-P-Sn, expected SnP4(Cl4O)4 to be SnP2Cl8O3" +mp-560891,SnP2Cl8O3,-4.8577494807,-1.6817111749,0.0,-0.0036810192,GGA,P-1,A8B3C2D_aP28_2_8i_3i_2i_i:Cl-O-P-Sn,28.0,"Invalid WP multiplicities - A8B3C2D_aP28_2_16i_4i_4i_i:Cl-O-P-Sn, expected SnP4(Cl4O)4 to be SnP2Cl8O3" +mp-1194344,Nd4PClO8,-8.2819316325,-3.5742217335,0.0227310152,0.0227310152,GGA,Pmn2_1,AB4C8D_oP28_31_a_2b_2a3b_a:Cl-Nd-O-P,28.0,AB4C8D_oP28_31_a_2b_2a3b_a:Cl-Nd-O-P +mp-1044044,CaSnBiO5,-6.4566857981,-2.1330477455,0.0992294687,0.0992294687,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-Sn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-Sn, expected CaSnBiO15 to be CaSnBiO5" +mp-1042412,CaSnBiO5,-6.4635743153,-2.1399362627,0.0923409515,0.0923409515,GGA,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-Sn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-Sn, expected CaSnBiO31 to be CaSnBiO5" +mp-1522924,KCaSnBiO6,-6.012599719,-1.9479805111,0.1859691368,0.1859691368,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Sn +mp-1223445,KNb4Bi5O18,-7.77143097,-2.4229144857,0.0087031713,0.0087031713,GGA,Cm,A5BC4D18_mC56_8_a2b_a_2b_2a8b:Bi-K-Nb-O,28.0,A5BC4D18_mC56_8_a2b_a_2b_2a8b:Bi-K-Nb-O +mp-1211970,K2SrNb5O15,-8.5504680672,-2.9584181882,0.0269082098,0.0269082098,GGA,P4bm,A2B5C15D_tP46_100_c_bd_bc3d_a:K-Nb-O-Sr,46.0,A2B5C15D_tP46_100_c_bd_bc3d_a:K-Nb-O-Sr +mp-1517672,KSrNbBiO6,-7.1509267257,-2.508744842,0.0557367513,0.0557367513,GGA,Pnnn,ABCD6E_oP40_48_e_ab_f_3m_cd:Bi-K-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_f_6m_cd:Bi-K-Nb-O-Sr, expected K2SrNbBiO12 to be KSrNbBiO6" +mp-1517627,KSrNbBiO6,-7.122233949,-2.4800520652,0.084429528,0.084429528,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Nb-O-Sr +mp-1223455,KSr2Nb5O15,-8.7437516291,-3.1265237282,0.0293680648,0.0293680648,GGA,Cmm2,AB5C15D2_oC92_35_d_ab2f_abde6f_ce:K-Nb-O-Sr,46.0,"Invalid WP multiplicities - AB5C15D2_oC92_35_d_ab3f_abde9f_ce:K-Nb-O-Sr, expected KSr2Nb7O21 to be KSr2Nb5O15" +mp-1047054,Sr2Y2Fe2O7,-8.0592427758,-2.8377971964,0.1092056449,0.1092056449,GGA+U,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Fe-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Fe-O-Sr-Y +mp-1522081,SrEuYFeO6,-8.366177261,-2.7098652766,0.1915148054,0.1915148054,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-Y +mp-1047245,Sr2YFe2O7,-7.61625118,-2.4985577284,0.155221902,0.155221902,GGA+U,Imma,A2B7C2D_oI48_74_h_c2gh_h_a:Fe-O-Sr-Y,24.0,A2B7C2D_oI48_74_h_c2gh_h_a:Fe-O-Sr-Y +mp-1208510,Sr2YFe3O8,-7.8684126364,-2.5234818264000003,0.0232659946,0.0232659946,GGA+U,P4/mmm,A3B8C2D_tP14_123_bg_egi_h_c:Fe-O-Sr-Y,14.0,A3B8C2D_tP14_123_bg_egi_h_c:Fe-O-Sr-Y +mp-1218642,Sr4Y2(Fe2O5)3,-7.8223442919,-2.4626637745,0.0747581402,0.0747581402,GGA+U,Fmmm,A6B15C4D2_oF108_69_gn_ae2ijn_m_c:Fe-O-Sr-Y,27.0,"Invalid WP multiplicities - A6B15C4D2_oF108_69_gn_ae4i2jn_m_c:Fe-O-Sr-Y, expected Sr4Y2Fe6O23 to be Sr4Y2(Fe2O5)3" +mp-1199722,Bi(W2Cl5)3,-6.1606472203,-1.1916781108,0.0007829259,-0.0082193222,GGA,P2_1/c,AB15C6_mP88_14_e_15e_6e:Bi-Cl-W,88.0,AB15C6_mP88_14_e_15e_6e:Bi-Cl-W +mp-569822,Bi(W2Cl5)3,-6.1614301463,-1.1924610367,0.0,-0.0090022481,GGA,C2/c,AB15C6_mC176_15_f_15f_6f:Bi-Cl-W,88.0,"Invalid WP multiplicities - AB15C6_mC176_15_f_59f_23f:Bi-Cl-W, expected BiW23Cl59 to be Bi(W2Cl5)3" +mp-1222044,MnBi12W2(ClO8)3,-6.695158285,-1.8039610383,0.0280396664,0.0280396664,GGA+U,Cm,A12B3CD24E2_mC84_8_12a_3a_a_6a9b_2a:Bi-Cl-Mn-O-W,42.0,"Invalid WP multiplicities - A12B3CD24E2_mC84_8_12a_3a_a_6a18b_2a:Bi-Cl-Mn-O-W, expected MnBi12W2(ClO14)3 to be MnBi12W2(ClO8)3" +mp-1193947,BiW2(Cl4O)2,-5.6869006888,-1.4993298971,0.0280320106,0.0280320106,GGA+U,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:Bi-Cl-O-W,26.0,AB8C2D2_aP26_2_i_8i_2i_2i:Bi-Cl-O-W +mp-1209552,Rb2FeH2Br5O,-4.1723042114,-1.4515431381,0.032059817,0.032059817,GGA+U,Pnma,A5BC2DE2_oP44_62_3cd_c_d_c_d:Br-Fe-H-O-Rb,44.0,A5BC2DE2_oP44_62_3cd_c_d_c_d:Br-Fe-H-O-Rb +mp-24537,FeH8(BrO2)2,-5.1346228217,-1.2343134167,0.0,-0.0381476037,GGA+U,P2_1/c,A2BC8D4_mP30_14_e_a_4e_2e:Br-Fe-H-O,30.0,A2BC8D4_mP30_14_e_a_4e_2e:Br-Fe-H-O +mp-24007,Rb2HBrO,-4.108894919,-1.7381926728,0.0,-0.001705495,GGA,P2_1/m,ABCD2_mP10_11_e_e_e_2e:Br-H-O-Rb,10.0,"Invalid WP multiplicities - ABCD2_mP10_11_e_e_e_3e:Br-H-O-Rb, expected Rb3HBrO to be Rb2HBrO" +mp-1209606,RbFeBr4,-3.9991746817,-1.3887299146,0.0,-0.1475108508,GGA,Pnma,A4BC_oP24_62_2cd_c_c:Br-Fe-Rb,24.0,A4BC_oP24_62_2cd_c_c:Br-Fe-Rb +mp-1043310,CaCu3(WO3)4,-8.1054968395,-1.8306965723,0.1697296336,0.1697296336,GGA+U,C2/m,AB3C12D4_mC40_12_a_bcd_2i2j_ef:Ca-Cu-O-W,20.0,"Invalid WP multiplicities - AB3C12D4_mC40_12_a_bcd_4i6j_ef:Ca-Cu-O-W, expected CaCu3(WO8)4 to be CaCu3(WO3)4" +mp-1041453,CaCu2(WO4)2,-7.7731005733,-1.9505018525,0.1313065518,0.1313065518,GGA+U,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ca-Cu-O-W,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_6e_26e_5e:Ca-Cu-O-W, expected CaCu6W5O26 to be CaCu2(WO4)2" +mp-1041880,CaCuW2O7,-8.0941027621,-2.0352038541,0.2492252957,0.2492252957,GGA+U,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Ca-Cu-O-W,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Ca-Cu-O-W, expected Ca4Cu4(W3O13)3 to be CaCuW2O7" +mp-1788667,Ca2CuWO6,-7.442432121,-2.3675652283,0.1801113445,0.1801113445,GGA+U,Cm,A2BC6D_mC20_8_b_a_4ab_a:Ca-Cu-O-W,10.0,A2BC6D_mC20_8_b_a_4ab_a:Ca-Cu-O-W +mp-1383866,Ca2CuWO6,-7.441508795,-2.3666419023,0.1810346705,0.1810346705,GGA+U,Imm2,A2BC6D_oI20_44_c_a_c2d_b:Ca-Cu-O-W,10.0,A2BC6D_mC20_8_b_a_4ab_a:Ca-Cu-O-W +mp-1518239,BaNaEuWO6,-8.296427291,-2.6827508379,0.0528061941,0.0528061941,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-Na-O-W +mp-673126,LiSb(PO3)4,-7.3075816517,-2.4713928368,0.0489909383,0.0139154586,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_21a_6a_a:Li-O-P-Sb, expected LiSb(P2O7)3 to be LiSb(PO3)4" +mp-504340,LiSb(PO3)4,-7.3135894339,-2.477400619,0.0429831561,0.0079076763,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Sb, expected LiSbP7O23 to be LiSb(PO3)4" +mp-759485,LiSb(PO3)4,-7.2928323747,-2.4566435598,0.0637402153,0.0286647355,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Sb, expected LiSbP7O23 to be LiSb(PO3)4" +mp-684082,LiSb(PO3)4,-7.3093612683,-2.4731724534,0.0472113217,0.0121358419,GGA,C2/m,AB12C4D_mC72_12_i_gi5j_2j_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_i_2g2i18j_5j_f:Li-O-P-Sb, expected LiSb(PO4)10 to be LiSb(PO3)4" +mp-684427,LiSb(PO3)4,-7.3395704897,-2.5033816748,0.0170021003,-0.0180733795,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_11e_e:Li-O-P-Sb, expected LiSbP11O47 to be LiSb(PO3)4" +mp-26157,LiSb(PO3)4,-7.3444323278,-2.5082435129,0.0121402622,-0.0229352175,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_13e_e:Li-O-P-Sb, expected LiSbP13O47 to be LiSb(PO3)4" +mp-26675,LiSb(PO3)4,-7.3250483319,-2.488859517,0.0315242581,-0.0035512217,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-Sb, expected LiSbP15O47 to be LiSb(PO3)4" +mp-762336,LiSb(PO3)4,-7.2762200503,-2.4400312354,0.0803525397,0.04527706,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_43e_11e_e:Li-O-P-Sb, expected LiSbP11O43 to be LiSb(PO3)4" +mp-759251,LiSb(PO3)4,-7.3086432485,-2.4724544336,0.0479293415,0.0128538618,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-Sb, expected LiSbP13O45 to be LiSb(PO3)4" +mp-761773,LiSb(PO3)4,-7.2964770367,-2.4602882218,0.0600955533,0.0250200736,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-Sb, expected LiSbP15O47 to be LiSb(PO3)4" +mp-759071,LiSb(PO3)4,-7.2947415636,-2.4585527487,0.0618310264,0.0267555466,GGA,C2/c,AB12C4D_mC72_15_a_6f_2f_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_a_23f_5f_e:Li-O-P-Sb, expected LiSb(P5O23)2 to be LiSb(PO3)4" +mp-759185,LiSb(PO3)4,-7.3314171419,-2.495228327,0.0251554481,-0.0099200317,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_c:Li-O-P-Sb, expected LiSb(P5O23)2 to be LiSb(PO3)4" +mp-504207,LiSb(PO3)4,-7.3424443306,-2.5062555156,0.0141282594,-0.0209472203,GGA,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-Sb, expected LiSb(P5O23)2 to be LiSb(PO3)4" +mp-504353,LiSb(PO3)4,-7.35657259,-2.5203837751,0.0,-0.0350754798,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_5f_e:Li-O-P-Sb, expected LiSb(P5O21)2 to be LiSb(PO3)4" +mp-759419,LiSb(PO3)4,-7.2987873517,-2.4625985368,0.0577852383,0.0227097586,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_e:Li-O-P-Sb, expected LiSb(P5O23)2 to be LiSb(PO3)4" +mp-759587,LiSb(PO3)4,-7.2935934892,-2.4574046743,0.0629791008,0.0279036211,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sb,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_3f_e:Li-O-P-Sb, expected LiSb(PO7)6 to be LiSb(PO3)4" +mp-765093,LiSb(PO3)4,-7.2723721801,-2.4361833652,0.0842004099,0.0491249301,GGA,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-Sb, expected Li2Sb2P15O46 to be LiSb(PO3)4" +mp-26541,LiSb(PO3)4,-7.3240448029,-2.487855988,0.0325277871,-0.0025476927,GGA,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-Sb, expected Li2Sb2P15O46 to be LiSb(PO3)4" +mp-672958,LiSb(PO3)4,-7.337402124,-2.5012133091,0.019170466,-0.0159050138,GGA,Pbcn,AB12C4D_oP72_60_c_6d_2d_c:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C4D_oP72_60_c_40d_11d_c:Li-O-P-Sb, expected LiSb(P11O40)2 to be LiSb(PO3)4" +mp-774064,LiSb(PO4)2,-7.0780250987,-2.3748551979,0.0691225858,0.0691225858,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Li-O-P-Sb,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Li-O-P-Sb, expected LiSb(PO5)3 to be LiSb(PO4)2" +mp-774714,Li3Sb(PO4)2,-6.8270290843,-2.5230373312000003,0.0605779214,0.0605779214,GGA,P2_1/m,A3B8C2D_mP28_11_ade_4e2f_2e_e:Li-O-P-Sb,28.0,"Invalid WP multiplicities - A3B8C2D_mP28_11_ab2e_7e4f_3e_e:Li-O-P-Sb, expected Li4Sb(PO5)3 to be Li3Sb(PO4)2" +mp-758533,Li3Sb(PO4)2,-6.8063855686,-2.5023938155,0.0812214371,0.0812214371,GGA,C2/m,A3B8C2D_mC28_12_ai_2ij_i_c:Li-O-P-Sb,14.0,"Invalid WP multiplicities - A3B8C2D_mC28_12_a2i_4ij_i_d:Li-O-P-Sb, expected Li5Sb(PO6)2 to be Li3Sb(PO4)2" +mp-777071,Li3Sb(PO4)2,-6.8140378482,-2.5100460951,0.0735691575,0.0735691575,GGA,P2_1/c,A3B8C2D_mP112_14_6e_16e_4e_2e:Li-O-P-Sb,112.0,"Invalid WP multiplicities - A3B8C2D_mP112_14_23e_63e_11e_3e:Li-O-P-Sb, expected Li23Sb3P11O63 to be Li3Sb(PO4)2" +mp-759406,Li3Sb(PO4)2,-6.8006165109,-2.4966247578000003,0.0869904948,0.0869904948,GGA,P2_1/c,A3B8C2D_mP56_14_3e_8e_2e_e:Li-O-P-Sb,56.0,"Invalid WP multiplicities - A3B8C2D_mP56_14_11e_29e_5e_e:Li-O-P-Sb, expected Li11SbP5O29 to be Li3Sb(PO4)2" +mp-759416,Li3Sb(PO4)2,-6.7993669169,-2.4953751638,0.0882400888,0.0882400888,GGA,R3,A3B8C2D_hR126_146_3a2b_8b_2b_3a:Li-O-P-Sb,42.0,"Invalid WP multiplicities - A3B8C2D_hR126_146_3a4b_24b_4b_3a:Li-O-P-Sb, expected Li5Sb(PO6)4 to be Li3Sb(PO4)2" +mp-759099,Li3Sb(PO4)2,-6.806039081,-2.5020473279,0.0815679248,0.0815679248,GGA,P-3,A3B8C2D_hP42_147_adg_4g_g_bd:Li-O-P-Sb,42.0,"Invalid WP multiplicities - A3B8C2D_hP42_147_a2d3g_19g_g_bd:Li-O-P-Sb, expected Li23Sb3(PO19)6 to be Li3Sb(PO4)2" +mp-758492,LiSb3(PO5)2,-6.8937787225000005,-2.231940053,0.0648474023,0.0648474023,GGA,P1,AB10C2D3_aP16_1_a_10a_2a_3a:Li-O-P-Sb,16.0,AB10C2D3_aP16_1_a_10a_2a_3a:Li-O-P-Sb +mp-759607,LiSb4P7O24,-7.2378365706,-2.3756539471,0.0626665974,0.0626665974,GGA,P-1,AB24C7D4_aP72_2_i_24i_7i_4i:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB24C7D4_aP72_2_i_47i_13i_7i:Li-O-P-Sb, expected LiSb7P13O47 to be LiSb4P7O24" +mp-26652,LiSb(PO3)5,-7.3055941036,-2.4281046805,0.0484287227,0.0484287227,GGA,P2_1/c,AB15C5D_mP88_14_e_15e_5e_e:Li-O-P-Sb,88.0,"Invalid WP multiplicities - AB15C5D_mP88_14_e_57e_17e_e:Li-O-P-Sb, expected LiSbP17O57 to be LiSb(PO3)5" +mp-775867,LiSbPO5,-6.8541789444,-2.3310951732,0.0695467748,0.0695467748,GGA,P1,AB5CD_aP64_1_8a_40a_8a_8a:Li-O-P-Sb,64.0,AB5CD_aP64_1_8a_40a_8a_8a:Li-O-P-Sb +mp-761687,LiSbPO5,-6.8292613369,-2.3061775657,0.0944643823,0.0944643823,GGA,Cc,AB5CD_mC32_9_a_5a_a_a:Li-O-P-Sb,16.0,"Invalid WP multiplicities - AB5CD_mC32_9_a_10a_a_a:Li-O-P-Sb, expected LiSbPO10 to be LiSbPO5" +mp-684104,LiSb2P5O16,-7.28111109,-2.4319253708,0.047426789,0.047426789,GGA,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Li-O-P-Sb,48.0,"Invalid WP multiplicities - AB16C5D2_mP48_7_a_31a_9a_4a:Li-O-P-Sb, expected LiSb4P9O31 to be LiSb2P5O16" +mp-561062,NaSb3(PO5)2,-6.9204926026,-2.2953037814,0.0,-0.0289348468,GGA,Pca2_1,AB10C2D3_oP128_29_2a_20a_4a_6a:Na-O-P-Sb,128.0,"Invalid WP multiplicities - AB10C2D3_oP128_29_5a_75a_15a_19a:Na-O-P-Sb, expected Na5Sb19(PO5)15 to be NaSb3(PO5)2" +mp-776589,Li9Sb3P8O29,-6.9569491996,-2.5420981343,0.0556639043,0.0556639043,GGA,P-3c1,A9B29C8D3_hP98_165_bdg_df4g_dg_f:Li-O-P-Sb,98.0,"Invalid WP multiplicities - A9B29C8D3_hP98_165_b2d3g_2d6f45g_2d3g_f:Li-O-P-Sb, expected Li23Sb3(P11O146)2 to be Li9Sb3P8O29" +mp-762248,LiSb3(P3O10)2,-7.2144097017,-2.3574258399,0.0973073507,0.0973073507,GGA,C222_1,AB20C6D3_oC120_20_a_10c_3c_a2b:Li-O-P-Sb,60.0,"Invalid WP multiplicities - AB20C6D3_oC120_20_a_19c_5c_2a4b:Li-O-P-Sb, expected LiSb6(P5O19)2 to be LiSb3(P3O10)2" +mp-776965,Na3Sb(PO4)2,-6.6562353083,-2.477900178,0.0124458026,0.0124458026,GGA,P2_1/c,A3B8C2D_mP112_14_6e_16e_4e_2e:Na-O-P-Sb,112.0,"Invalid WP multiplicities - A3B8C2D_mP112_14_23e_63e_11e_3e:Na-O-P-Sb, expected Na23Sb3P11O63 to be Na3Sb(PO4)2" +mp-759444,LiSb2P3O11,-7.1337528491,-2.3796111614,0.078901317,0.078901317,GGA,C2,AB11C3D2_mC68_5_c_ab10c_ab2c_2c:Li-O-P-Sb,34.0,"Invalid WP multiplicities - AB11C3D2_mC68_5_c_ab20c_ab4c_4c:Li-O-P-Sb, expected LiSb4P5O21 to be LiSb2P3O11" +mp-1210360,Na3Sb3(PO7)2,-6.6584649084,-2.2750637006,0.0,-0.0109689138,GGA,P2_1/c,A3B14C2D3_mP44_14_ae_7e_e_ce:Na-O-P-Sb,44.0,A3B14C2D3_mP44_14_ae_7e_e_ce:Na-O-P-Sb +mp-759117,Li2SbP3O10,-7.1031002403,-2.4997476399,0.0738018986,0.0738018986,GGA,P2_1/c,A2B10C3D_mP64_14_2e_10e_3e_e:Li-O-P-Sb,64.0,"Invalid WP multiplicities - A2B10C3D_mP64_14_3e_35e_5e_e:Li-O-P-Sb, expected Li3Sb(PO7)5 to be Li2SbP3O10" +mp-723939,Li3Sb2P5O18,-3.5321077318,1.1140237116,3.6320424981,3.6320424981,GGA,P1,A3B18C5D2_aP56_1_6a_36a_10a_4a:Li-O-P-Sb,56.0,A3B18C5D2_aP56_1_6a_36a_10a_4a:Li-O-P-Sb +mp-26586,Li3Sb2P5O18,-7.1283647652,-2.4822333218,0.0357854647,0.0357854647,GGA,P1,A3B18C5D2_aP56_1_6a_36a_10a_4a:Li-O-P-Sb,56.0,A3B18C5D2_aP56_1_6a_36a_10a_4a:Li-O-P-Sb +mp-761144,Na3LiSbP2O9,-6.5048982742,-2.4203793116,0.0826653069,0.0826653069,GGA,P2_12_12_1,AB3C9D2E_oP64_19_a_3a_9a_2a_a:Li-Na-O-P-Sb,64.0,"Invalid WP multiplicities - AB3C9D2E_oP64_19_a_9a_33a_5a_a:Li-Na-O-P-Sb, expected Na9LiSbP5O33 to be Na3LiSbP2O9" +mp-26281,Li3Sb5(PO4)6,-7.0914141597,-2.4184636621,0.0215571029,0.0215571029,GGA,P1,A3B24C6D5_aP38_1_3a_24a_6a_5a:Li-O-P-Sb,38.0,A3B24C6D5_aP38_1_3a_24a_6a_5a:Li-O-P-Sb +mp-935791,LiSb2P5O18,-3.8000461919,1.0566397574,3.4494945077,3.4494945077,GGA,P-1,AB18C5D2_aP52_2_i_18i_5i_2i:Li-O-P-Sb,52.0,"Invalid WP multiplicities - AB18C5D2_aP52_2_i_33i_8i_2i:Li-O-P-Sb, expected LiSb2P8O33 to be LiSb2P5O18" +mp-673090,LiSb2P5O18,-7.1819529312,-2.3252669818,0.0675877684,0.0675877684,GGA,P-1,AB18C5D2_aP52_2_i_18i_5i_2i:Li-O-P-Sb,52.0,"Invalid WP multiplicities - AB18C5D2_aP52_2_i_33i_8i_2i:Li-O-P-Sb, expected LiSb2P8O33 to be LiSb2P5O18" +mp-758651,Li3Sb3(PO4)4,-6.9855386654,-2.4119232144,0.066757605,0.066757605,GGA,P1,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-Sb,78.0,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-Sb +mp-851443,Li3Sb3(PO4)4,-1.4646243035,3.1089911476,5.5876719669,5.5876719669,GGA,P-1,A3B16C4D3_aP52_2_3i_16i_4i_3i:Li-O-P-Sb,52.0,"Invalid WP multiplicities - A3B16C4D3_aP52_2_5i_31i_7i_5i:Li-O-P-Sb, expected Li5Sb5P7O31 to be Li3Sb3(PO4)4" +mp-759550,Li3Sb3(PO4)4,-6.9745788146,-2.4009633636,0.0777174558,0.0777174558,GGA,P-1,A3B16C4D3_aP52_2_3i_16i_4i_3i:Li-O-P-Sb,52.0,"Invalid WP multiplicities - A3B16C4D3_aP52_2_5i_31i_7i_5i:Li-O-P-Sb, expected Li5Sb5P7O31 to be Li3Sb3(PO4)4" +mp-759028,Li3Sb3(PO4)4,-6.9994117854,-2.4257963344,0.052884485,0.052884485,GGA,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-Sb,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_32a_8a_5a:Li-O-P-Sb, expected Li5Sb5(PO4)8 to be Li3Sb3(PO4)4" +mp-759918,Li3Sb3(PO4)4,-6.9946356433,-2.4210201922,0.0576606271,0.0576606271,GGA,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-Sb,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_29a_7a_5a:Li-O-P-Sb, expected Li5Sb5P7O29 to be Li3Sb3(PO4)4" +mp-684477,Li2Sb(PO3)5,-7.2717353648,-2.5233140528,0.0369699611,0.0369699611,GGA,P2_1/m,A2B15C5D_mP46_11_f_3e6f_e2f_a:Li-O-P-Sb,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_11_f_6e22f_e4f_a:Li-O-P-Sb, expected Li2SbP9O50 to be Li2Sb(PO3)5" +mp-762329,Li7Sb2P7O24,-6.9944669929,-2.5386142638,0.0742108063,0.0742108063,GGA,P2/c,A7B24C7D2_mP80_13_e3g_12g_f3g_g:Li-O-P-Sb,80.0,"Invalid WP multiplicities - A7B24C7D2_mP80_13_e10g_41g_f5g_g:Li-O-P-Sb, expected Li21Sb2P11O82 to be Li7Sb2P7O24" +mp-774523,Li3Sb2(PO4)3,-6.9133332587,-2.434086102,0.081321769,0.081321769,GGA,C2,A3B12C3D2_mC80_5_ab2c_12c_ab2c_2c:Li-O-P-Sb,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_5_ab3c_24c_ab2c_2c:Li-O-P-Sb, expected Li4Sb2(PO8)3 to be Li3Sb2(PO4)3" +mp-759868,Li3Sb2(PO4)3,-6.8980318552,-2.4187846985,0.0966231725,0.0966231725,GGA,C2/m,A3B12C3D2_mC80_12_3i_6i3j_3i_aci:Li-O-P-Sb,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_12_5i_12i11j_5i_adi:Li-O-P-Sb, expected Li5Sb2P5O34 to be Li3Sb2(PO4)3" +mp-758812,Li3Sb2(PO4)3,-6.919297722,-2.4400505652,0.0753573058,0.0753573058,GGA,P2/c,A3B12C3D2_mP80_13_abefg_12g_ef2g_2g:Li-O-P-Sb,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_13_2a2b2e2f4g_48g_2e2f7g_5g:Li-O-P-Sb, expected Li8Sb5(P3O16)3 to be Li3Sb2(PO4)3" +mp-684539,Li3Sb2(PO4)3,-6.9444736175,-2.4652264608,0.0501814103,0.0501814103,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sb,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_7e_45e_8e_7e:Li-O-P-Sb, expected Li7Sb7P8O45 to be Li3Sb2(PO4)3" +mp-762044,Li3Sb2(PO4)3,-6.931463565,-2.4522164082,0.0631914628,0.0631914628,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sb,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_5e:Li-O-P-Sb, expected Li9Sb5(PO5)9 to be Li3Sb2(PO4)3" +mp-775486,Li3Sb2(PO4)3,-6.9364583244,-2.4572111676,0.0581967034,0.0581967034,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sb,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_6e_5e:Li-O-P-Sb, expected Li9Sb5(P2O15)3 to be Li3Sb2(PO4)3" +mp-759128,Li3Sb2(PO4)3,-6.9271413822,-2.4478942255,0.0675136455,0.0675136455,GGA,C2/c,A3B12C3D2_mC80_15_ef_6f_ef_f:Li-O-P-Sb,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2e3f_21f_2e3f_f:Li-O-P-Sb, expected Li4SbP4O21 to be Li3Sb2(PO4)3" +mp-759227,Li3Sb2(PO4)3,-6.924297833,-2.4450506762,0.0703571948,0.0703571948,GGA,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:Li-O-P-Sb,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2c2f_19f_2e3f_f:Li-O-P-Sb, expected Li3SbP4O19 to be Li3Sb2(PO4)3" +mp-761135,Li3Sb2(PO4)3,-6.937945637,-2.4586984802,0.0567093908,0.0567093908,GGA,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Li-O-P-Sb,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_17f_f_2c:Li-O-P-Sb, expected Li3Sb2(PO17)3 to be Li3Sb2(PO4)3" +mp-560642,Na3SbP2O9,-6.7017205383,-2.472161836,0.0,-0.0177690394,GGA,P2_12_12_1,A3B9C2D_oP60_19_3a_9a_2a_a:Na-O-P-Sb,60.0,"Invalid WP multiplicities - A3B9C2D_oP60_19_8a_35a_4a_a:Na-O-P-Sb, expected Na8SbP4O35 to be Na3SbP2O9" +mp-684508,LiSb2(PO4)3,-7.1455831772,-2.3807444327,0.0339931944,0.0339931944,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Sb,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_44e_9e_4e:Li-O-P-Sb, expected LiSb4P9O44 to be LiSb2(PO4)3" +mp-26585,Li5Sb2P5O18,-7.0197242067,-2.556073335,0.026385134,0.026385134,GGA,P-1,A5B18C5D2_aP60_2_5i_18i_5i_2i:Li-O-P-Sb,60.0,"Invalid WP multiplicities - A5B18C5D2_aP60_2_9i_35i_9i_3i:Li-O-P-Sb, expected Li9Sb3P9O35 to be Li5Sb2P5O18" +mp-761952,Li5Sb(P2O7)2,-6.9465049475,-2.5889854659,0.0500232918,0.0500232918,GGA,P-1,A5B14C4D_aP48_2_5i_14i_4i_i:Li-O-P-Sb,48.0,"Invalid WP multiplicities - A5B14C4D_aP48_2_9i_27i_7i_i:Li-O-P-Sb, expected Li9SbP7O27 to be Li5Sb(P2O7)2" +mp-779525,Li3Sb3P8O29,-7.1983405716,-2.4338251065,0.0094674813,0.0094674813,GGA,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-Sb,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_14a_5a:Li-O-P-Sb, expected Li3Sb5(PO4)14 to be Li3Sb3P8O29" +mp-776510,Li3Sb3P8O29,-7.2007638558,-2.4362483907,0.0070441972,0.0070441972,GGA,C2/c,A3B29C8D3_mC172_15_af_e14f_4f_ef:Li-O-P-Sb,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_15_cf_2e51f_9f_ef:Li-O-P-Sb, expected Li3Sb3(P9O52)2 to be Li3Sb3P8O29" +mp-26745,LiSbP2O7,-7.1589690064,-2.4779371792,0.0363508436,0.0363508436,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Sb,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_12i_3i_i:Li-O-P-Sb, expected LiSb(PO4)3 to be LiSbP2O7" +mp-26341,LiSbP2O7,-7.1792442559,-2.4982124287,0.016075594,0.016075594,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-Sb,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_13a_3a_a:Li-O-P-Sb, expected LiSbP3O13 to be LiSbP2O7" +mp-673059,LiSbP2O7,-7.1600074032,-2.478975576,0.0353124467,0.0353124467,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_26e_3e_e:Li-O-P-Sb, expected LiSbP3O26 to be LiSbP2O7" +mp-673073,LiSbP2O7,-7.1583651236,-2.4773332965,0.0369547263,0.0369547263,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_26e_6e_e:Li-O-P-Sb, expected LiSb(P3O13)2 to be LiSbP2O7" +mp-759455,LiSbP2O7,-7.1418751348,-2.4608433076000003,0.0534447152,0.0534447152,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Sb, expected LiSbP3O25 to be LiSbP2O7" +mp-759498,LiSbP2O7,-7.1123693957,-2.4313375685,0.0829504542,0.0829504542,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_3e_e:Li-O-P-Sb, expected LiSb(PO9)3 to be LiSbP2O7" +mp-759493,LiSbP2O7,-7.1024304784,-2.4213986512,0.0928893715,0.0928893715,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Sb, expected LiSbP3O25 to be LiSbP2O7" +mp-684090,LiSbP2O7,-7.1520893818,-2.4710575547,0.0432304681,0.0432304681,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_5e_e:Li-O-P-Sb, expected LiSbP5O24 to be LiSbP2O7" +mp-684106,LiSbP2O7,-7.1482741939,-2.4672423667,0.0470456561,0.0470456561,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_5e_e:Li-O-P-Sb, expected LiSbP5O27 to be LiSbP2O7" +mp-849265,LiSbP2O7,-7.1209723075,-2.4399404803,0.0743475424,0.0743475424,GGA,P2_1/c,AB7C2D_mP88_14_2e_14e_4e_2e:Li-O-P-Sb,88.0,"Invalid WP multiplicities - AB7C2D_mP88_14_3e_31e_7e_3e:Li-O-P-Sb, expected Li3Sb3P7O31 to be LiSbP2O7" +mp-780724,LiSbP2O7,-7.1263111911,-2.445279364,0.0690086588,0.0690086588,GGA,Pna2_1,AB7C2D_oP88_33_2a_14a_4a_2a:Li-O-P-Sb,88.0,"Invalid WP multiplicities - AB7C2D_oP88_33_5a_53a_13a_5a:Li-O-P-Sb, expected Li5Sb5P13O53 to be LiSbP2O7" +mp-1518026,PrEuZrVO6,-9.471437848,-3.2364731958,0.1902351045,0.1902351045,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Pr-V-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Pr-V-Zr +mp-758545,K8Li3(FeO4)4,-5.6554416094,-1.5381169514000002,0.0579809403,0.0579809403,GGA+U,P1,A4B8C3D16_aP31_1_4a_8a_3a_16a:Fe-K-Li-O,31.0,A4B8C3D16_aP31_1_4a_8a_3a_16a:Fe-K-Li-O +mp-1520747,KPr(FeO3)4,-6.9023807772,-1.3950666618,0.248088721,0.248088721,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Fe-K-O-Pr,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Fe-K-O-Pr, expected KPr(Fe2O9)2 to be KPr(FeO3)4" +mp-772421,KLi2FeO3,-5.8681972607,-1.8341498287,0.0661653093,0.0661653093,GGA+U,Cc,ABC2D3_mC28_9_a_a_2a_3a:Fe-K-Li-O,14.0,ABC2D3_oC28_63_c_c_e_ag:Fe-K-Li-O +mp-885434,KLi2FeO3,-5.5846267607,-1.5505793287,0.3497358093,0.3497358093,GGA+U,Cmc2_1,ABC2D3_oC28_36_a_a_b_ab:Fe-K-Li-O,14.0,ABC2D3_oC28_63_c_c_e_ag:Fe-K-Li-O +mp-1178139,KLi2FeO3,-5.5889393729,-1.5548919408,0.3454231971,0.3454231971,GGA+U,Pnma,ABC2D3_oP28_62_c_c_d_a2c:Fe-K-Li-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_d_2a6c:Fe-K-Li-O, expected KLi2FeO8 to be KLi2FeO3" +mp-1297690,KLi2FeO3,-5.8856357214,-1.8515882894,0.0487268486,0.0487268486,GGA+U,Cmcm,ABC2D3_oC28_63_c_c_e_ag:Fe-K-Li-O,14.0,ABC2D3_oC28_63_c_c_e_ag:Fe-K-Li-O +mp-25219,K2Li2FeO4,-5.5369109903,-1.7263088034,0.0512159998,0.0512159998,GGA+U,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:Fe-K-Li-O,36.0,"Invalid WP multiplicities - AB2C2D4_mP36_14_e_7e_6e_16e:Fe-K-Li-O, expected K7Li6FeO16 to be K2Li2FeO4" +mp-756561,KLi4FeO5,-5.5929744623,-1.7793785368,0.0471148023,0.0471148023,GGA+U,P-1,ABC4D5_aP22_2_i_i_4i_5i:Fe-K-Li-O,22.0,"Invalid WP multiplicities - ABC4D5_aP22_2_i_i_7i_9i:Fe-K-Li-O, expected KLi7FeO9 to be KLi4FeO5" +mp-759598,K8Li13(FeO4)4,-5.3706896898,-1.7919996151,0.0752214984,0.0752214984,GGA+U,P1,A4B8C13D16_aP41_1_4a_8a_13a_16a:Fe-K-Li-O,41.0,A4B8C13D16_aP41_1_4a_8a_13a_16a:Fe-K-Li-O +mp-759352,K8Li9(FeO4)4,-5.530301533,-1.7710960844,0.0347225653,0.0347225653,GGA+U,P1,A4B8C9D16_aP37_1_4a_8a_9a_16a:Fe-K-Li-O,37.0,A4B8C9D16_aP37_1_4a_8a_9a_16a:Fe-K-Li-O +mp-758588,K4Li3(FeO4)2,-5.5875325579,-1.6650668816,0.0492418152,0.0492418152,GGA+U,P1,A2B4C3D8_aP34_1_4a_8a_6a_16a:Fe-K-Li-O,34.0,A2B4C3D8_aP34_1_4a_8a_6a_16a:Fe-K-Li-O +mp-759002,K4Li5(FeO4)2,-5.4923955153,-1.7818817136,0.0507416328,0.0507416328,GGA+U,P1,A2B4C5D8_aP38_1_4a_8a_10a_16a:Fe-K-Li-O,38.0,A2B4C5D8_aP38_1_4a_8a_10a_16a:Fe-K-Li-O +mp-16955,K2Li3FeO4,-5.5026462903,-1.8822120353,0.0,-0.0216646921,GGA+U,P2_1/c,AB2C3D4_mP40_14_e_2e_3e_4e:Fe-K-Li-O,40.0,AB2C3D4_mP40_14_e_2e_3e_4e:Fe-K-Li-O +mp-756221,K2LiFeO3,-5.6734777725,-1.7535051862,0.0276206033,0.0276206033,GGA+U,Cmme,AB2CD3_oC28_67_g_ag_b_cn:Fe-K-Li-O,28.0,AB2CD3_oC28_67_g_ag_b_cn:Fe-K-Li-O +mp-1173608,NaLa5Mg4(WO6)4,-8.3786923821,-3.0377257766,0.0169476986,0.0169476986,GGA+U,Cm,A5B4CD24E4_mC76_8_3ab_2ab_a_4a10b_2ab:La-Mg-Na-O-W,38.0,"Invalid WP multiplicities - A5B4CD24E4_mC76_8_3a2b_2ab_a_4a17b_2a2b:La-Mg-Na-O-W, expected NaLa7Mg4(W3O19)2 to be NaLa5Mg4(WO6)4" +mp-1173567,NaLaMgWO6,-7.947825926,-2.8981184314,0.0,-0.0231402815,GGA+U,P2_1/m,ABCD6E_mP20_11_e_e_e_2e2f_e:La-Mg-Na-O-W,20.0,"Invalid WP multiplicities - ABCD6E_mP20_11_e_e_e_4e3f_e:La-Mg-Na-O-W, expected NaLaMgWO10 to be NaLaMgWO6" +mp-558194,NaLaMgWO6,-7.946505109,-2.8967976144,0.001320817,-0.0218194645,GGA+U,C2/m,ABCD6E_mC40_12_g_i_h_4ij_i:La-Mg-Na-O-W,20.0,"Invalid WP multiplicities - ABCD6E_mC40_12_g_i_h_8i3j_i:La-Mg-Na-O-W, expected NaLaMgWO14 to be NaLaMgWO6" +mp-1041441,ZnCu2(NiO4)2,-5.3781459508000005,-0.7172274892,0.2674605535,0.2674605535,GGA+U,P2_1/c,A2B2C8D_mP52_14_2e_2e_8e_e:Cu-Ni-O-Zn,52.0,"Invalid WP multiplicities - A2B2C8D_mP52_14_6e_5e_26e_e:Cu-Ni-O-Zn, expected ZnCu6Ni5O26 to be ZnCu2(NiO4)2" +mp-1043491,ZnCuNiP2O9,-6.6165840291,-1.8675918595,0.1136271518,0.1136271518,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Cu-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Cu-Ni-O-P-Zn +mp-510642,CuNi2(PO4)2,-7.1092675854,-2.0277602982,0.0031677892,0.0031677892,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Cu-Ni-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_14_a_e_5e_e:Cu-Ni-O-P, expected CuNi2(PO5)2 to be CuNi2(PO4)2" +mp-1043132,ZnCu3(NiO3)4,-5.681132331,-0.8792235872,0.1094715106,0.1094715106,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Ni-O-Zn,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Ni-O-Zn +mp-1204774,Cu3NiP2O9,-6.6990090878,-1.8040384142,0.0112686395,0.0112686395,GGA+U,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_2e:Cu-Ni-O-P,60.0,A3BC9D2_mP60_14_3e_e_9e_2e:Cu-Ni-O-P +mp-1208185,TlV3CdCu4O13,-6.7114773184,-1.6550668165,0.0433112313,0.0433112313,GGA+U,P2_1/m,AB4C13DE3_mP44_11_e_2ef_7e3f_e_3e:Cd-Cu-O-Tl-V,44.0,AB4C13DE3_mP44_11_e_2ef_7e3f_e_3e:Cd-Cu-O-Tl-V +mp-1216804,TlV3Cd4O12,-6.5754114018,-1.9421021552,0.0,-0.0076526349,GGA+U,Cc,A4B12CD3_mC80_9_4a_12a_a_3a:Cd-O-Tl-V,40.0,"Invalid WP multiplicities - A4B12CD3_mC80_9_5a_18a_a_4a:Cd-O-Tl-V, expected TlV4Cd5O18 to be TlV3Cd4O12" +mp-21728,TlV3Cu5O13,-6.7859256455,-1.5851371021,0.043195792,0.043195792,GGA+U,P-1,A5B13CD3_aP44_2_5i_13i_i_3i:Cu-O-Tl-V,44.0,"Invalid WP multiplicities - A5B13CD3_aP44_2_7i_15i_i_3i:Cu-O-Tl-V, expected TlV3Cu7O15 to be TlV3Cu5O13" +mp-774764,Li4Cr2TeWO12,-7.185304883,-2.0651305298,0.0804096893,0.0804096893,GGA+U,P1,A2B4C12DE_aP20_1_2a_4a_12a_a_a:Cr-Li-O-Te-W,20.0,A2B4C12DE_aP20_1_2a_4a_12a_a_a:Cr-Li-O-Te-W +mp-775973,Li4CrTe(WO6)2,-7.4257867755,-2.1403582843,0.0741942604,0.0741942604,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Te-W,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Te-W +mp-1643248,Li4CrTe(WO6)2,-7.4411032473,-2.155674756,0.0588777887,0.0588777887,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W +mp-1647042,Li4CrTe(WO6)2,-7.4346959293,-2.149267438,0.0652851067,0.0652851067,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W +mp-1642087,Li4CrTe(WO6)2,-7.4341640817,-2.1487355905,0.0658169542,0.0658169542,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Cr-Li-O-Te-W +mp-774655,Li4CrTe2WO12,-6.7596965165,-1.9650092421,0.1086544093,0.1086544093,GGA+U,P1,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Cr-Li-O-Te-W,40.0,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Cr-Li-O-Te-W +mp-1979079,Li4CrTe2WO12,-6.737991207,-1.9433039326,0.1303597188,0.1303597188,GGA+U,P1,AB4C12D2E_aP40_1_2a_8a_24a_4a_2a:Cr-Li-O-Te-W,40.0,AB4C12D2E_aP40_1_2a_8a_24a_4a_2a:Cr-Li-O-Te-W +mp-1048081,Sr2YAlSn2O7,-7.0330948369,-2.7071718724,0.2458940723,0.2458940723,GGA,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sn-Sr-Y,26.0,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sn-Sr-Y +mp-1035697,KMg14FeO16,-6.2443518159,-2.7714968085,0.1180054287,0.1180054287,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Fe-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Fe-K-Mg-O, expected KMg18FeO20 to be KMg14FeO16" +mp-1035776,KMg14FeO16,-6.2328679053,-2.7600128979000003,0.1294893393,0.1294893393,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Fe-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Fe-K-Mg-O, expected KMg30FeO32 to be KMg14FeO16" +mp-1212659,K6Na2Fe7O38,-5.2266808579,-0.3857041831,0.6248474219,0.6248474219,GGA+U,R32,A7B6C2D38_hR159_155_a2d_f_c_c6f:Fe-K-Na-O,53.0,A7B6C2D38_hR159_155_a2d_f_c_c6f:Fe-K-Na-O +mp-2232201,K4Na2Mg(FeO3)2,-5.160559928,-1.4734198538,0.2572962547,0.2572962547,GGA+U,C2/m,A2B4CD2E6_mC30_12_i_gi_c_h_abj:Fe-K-Mg-Na-O,15.0,"Invalid WP multiplicities - A2B4CD2E6_mC30_12_i_gi_c_h_ab3j:Fe-K-Mg-Na-O, expected K4Na2Mg(FeO7)2 to be K4Na2Mg(FeO3)2" +mp-1211809,K2Na4Fe2O5,-5.3110820096,-1.5276677755,0.0286314267,0.0286314267,GGA+U,P4_2/mnm,A2B2C4D5_tP26_136_f_g_de_aj:Fe-K-Na-O,26.0,A2B2C4D5_tP26_136_f_g_de_aj:Fe-K-Na-O +mp-1037604,KMg30FeO32,-6.2989372459,-2.9257675519,0.0460037164,0.0460037164,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Fe-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Fe-K-Mg-O, expected KMg90FeO80 to be KMg30FeO32" +mp-1037599,KMg30FeO32,-6.2941525833,-2.9209828893000003,0.050788379,0.050788379,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Fe-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Fe-K-Mg-O, expected KMg110FeO72 to be KMg30FeO32" +mp-2232307,K6Mg(FeO3)2,-5.17127257,-1.5124160087,0.1915577901,0.1915577901,GGA+U,P1,A2B6CD6_aP15_1_2a_6a_a_6a:Fe-K-Mg-O,15.0,A2B6CD6_aP15_1_2a_6a_a_6a:Fe-K-Mg-O +mp-1205067,KNa4FeO4,-5.1003703585,-1.6346427409,0.0,-0.0063997484,GGA+U,Pbca,ABC4D4_oP80_61_c_c_4c_4c:Fe-K-Na-O,80.0,ABC4D4_oP80_61_c_c_4c_4c:Fe-K-Na-O +mp-18730,K3Na(FeO4)2,-5.7869181493,-1.4178271318,0.0269109232,0.0269109232,GGA+U,P-3m1,A2B3CD8_hP14_164_d_ad_b_di:Fe-K-Na-O,28.0,A2B3CD8_hP14_164_d_ad_b_di:Fe-K-Na-O +mp-560924,K2NaFeO3,-5.5280539861,-1.6918524816,0.0,-0.0242495221,GGA+U,Cmme,AB2CD3_oC28_67_g_ag_b_cn:Fe-K-Na-O,28.0,AB2CD3_oC28_67_g_ag_b_cn:Fe-K-Na-O +mp-2217384,K2Mg(FeO2)2,-6.2255381156,-1.7202186479,0.1615461462,0.1615461462,GGA+U,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Fe-K-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Fe-K-Mg-O +mp-2240467,K2Mg(FeO2)2,-6.2497547856,-1.7444353179,0.1373294762,0.1373294762,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Fe-K-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Fe-K-Mg-O +mp-2240470,K2Mg(FeO2)2,-5.8894170544,-1.3840975868,0.4976672073,0.4976672073,GGA+U,C2/m,A2B2CD4_mC18_12_i_i_a_2i:Fe-K-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_mC18_12_i_i_a_3i:Fe-K-Mg-O, expected K2Mg(FeO3)2 to be K2Mg(FeO2)2" +mp-504863,KNa2FeO3,-5.5574496671,-1.6909443989,0.008076957,0.008076957,GGA+U,Pnma,ABC2D3_oP28_62_c_c_d_a2c:Fe-K-Na-O,28.0,ABC2D3_oP28_62_c_c_d_a2c:Fe-K-Na-O +mp-2228468,K2MgFe4O7,-6.7103947443,-1.5441101898,0.3086461783,0.3086461783,GGA+U,C2/m,A4B2CD7_mC28_12_gi_h_a_cij:Fe-K-Mg-O,14.0,A4B2CD7_mC28_12_gi_h_a_cij:Fe-K-Mg-O +mp-1032498,KMg6FeO8,-6.1149972019,-2.4427715677,0.2821926074,0.2821926074,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Fe-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Fe-K-Mg-O, expected KMg6FeO12 to be KMg6FeO8" +mp-1032519,KMg6FeO8,-6.1197161769,-2.4474905427,0.2774736324,0.2774736324,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Fe-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Fe-K-Mg-O, expected KMg6FeO12 to be KMg6FeO8" +mp-1022507,KMg6Fe,-2.0262709506,0.3714916065,0.3838999043,0.3838999043,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Fe-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Fe-K-Mg, expected KMg12Fe to be KMg6Fe" +mp-1022547,KMg6Fe,-2.02243206,0.3753304971,0.3877387949,0.3877387949,GGA,Amm2,ABC6_oC16_38_a_b_abde:Fe-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Fe-K-Mg, expected KMg12Fe to be KMg6Fe" +mp-1027891,KMg14Fe,-1.8072410519,0.1917802517,0.2062565991,0.2062565991,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Fe-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Fe-K-Mg, expected KMg18Fe to be KMg14Fe" +mp-1027885,KMg14Fe,-1.7684341506,0.2305871529,0.2450635003,0.2450635003,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Fe-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Fe-K-Mg, expected KMg26Fe to be KMg14Fe" +mp-1189143,NaNdFeWO6,-8.2706446525,-2.5507490092,0.0,-0.0195550025,GGA+U,P2_1,ABCD6E_mP20_4_a_a_a_6a_a:Fe-Na-Nd-O-W,20.0,ABCD6E_mP20_4_a_a_a_6a_a:Fe-Na-Nd-O-W +mp-1220607,Nd(Fe5W)2,-8.8404395331,0.0353004663,0.0460400013,0.0460400013,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Nd-W,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Nd-W +mp-22806,Fe2P4PbO14,-7.4451649329,-2.132805815,0.2694306634,0.2694306634,GGA+U,P-1,A2B14C4D_aP21_2_be_7i_2i_a:Fe-O-P-Pb,21.0,"Invalid WP multiplicities - A2B14C4D_aP21_2_be_8i_2i_a:Fe-O-P-Pb, expected Fe2P4PbO16 to be Fe2P4PbO14" +mp-704946,Fe2P4Pb3O16,-7.5083637004,-2.3532351789,0.0,-0.0161891462,GGA+U,P2_1/c,A2B16C4D3_mP50_14_e_8e_2e_ae:Fe-O-P-Pb,50.0,"Invalid WP multiplicities - A2B16C4D3_mP50_14_e_30e_4e_2a2e:Fe-O-P-Pb, expected FeP4(PbO10)3 to be Fe2P4Pb3O16" +mp-1204465,Fe3P4PbO14,-7.8587234175,-2.4028342046,0.0,-0.0090541056,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Fe-O-P-Pb,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Fe-O-P-Pb +mp-1188752,Fe3P2PbO14,-7.012401081,-1.5522531975,0.2575019727,0.2575019727,GGA+U,P-1,A3B14C2D_aP20_2_abc_7i_i_g:Fe-O-P-Pb,20.0,A3B14C2D_aP20_2_abc_7i_i_g:Fe-O-P-Pb +mp-1225206,Fe2P4Pb3O17,-7.3355317478,-2.1884201421,0.0743059915,0.0743059915,GGA+U,P4_1,A2B17C4D3_tP104_76_2a_17a_4a_3a:Fe-O-P-Pb,104.0,A2B17C4D3_tP104_76_2a_17a_4a_3a:Fe-O-P-Pb +mp-1212751,FeP2(PbO5)2,-6.9923045603,-1.9130507286,0.1780281099,0.1780281099,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Fe-O-P-Pb,30.0,AB10C2D2_mP30_14_a_5e_e_e:Fe-O-P-Pb +mp-560012,FeP2PbO7,-7.6534071211,-2.4137621873,0.0,-0.0057084231,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Fe-O-P-Pb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_26e_6e_e:Fe-O-P-Pb, expected FeP6PbO26 to be FeP2PbO7" +mp-1198984,Fe3P3PbO13,-7.7760371165,-2.2925585432,0.0,-0.0020567872,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Fe-O-P-Pb,40.0,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Fe-O-P-Pb +mp-743600,ZrFeP3PbO12,-8.0824691325,-2.7307724122,0.0,-0.0122204334,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Fe-O-P-Pb-Zr,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Fe-O-P-Pb-Zr, expected ZrFeP3PbO54 to be ZrFeP3PbO12" +mp-1044091,ZnMo2(PO5)2,-7.7572784963,-2.2076427659,0.1319968712,0.1319968712,GGA+U,Fdd2,A2B10C2D_oF120_43_b_5b_b_a:Mo-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_43_b_14b_b_a:Mo-O-P-Zn, expected ZnMo2(PO14)2 to be ZnMo2(PO5)2" +mp-1043107,ZnNiMoP2O9,-7.4267453339,-2.1958643472,0.0788000575,0.0788000575,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mo-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mo-Ni-O-P-Zn +mp-1041428,ZnMo3P3O13,-7.9857684968,-2.2685907614,0.045766555,0.045766555,GGA+U,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Mo-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Mo-O-P-Zn, expected ZnMo5P3O34 to be ZnMo3P3O13" +mp-1041036,ZnMo2P2O9,-7.8508330289,-2.2581296543,0.0389586474,0.0389586474,GGA+U,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Mo-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Mo-O-P-Zn, expected ZnMo2P2O11 to be ZnMo2P2O9" +mp-1228512,Ba3Fe4P8PbO28,-7.8320371389,-2.7146880321,0.0,-0.0074281318,GGA+U,P1,A3B4C28D8E_aP44_1_3a_4a_28a_8a_a:Ba-Fe-O-P-Pb,44.0,A3B4C28D8E_aP44_1_3a_4a_28a_8a_a:Ba-Fe-O-P-Pb +mp-505234,BaP2PbO7,-7.4732166809,-2.829121408,0.0,-0.0077175707,GGA,Pnma,AB7C2D_oP44_62_c_3c2d_2c_c:Ba-O-P-Pb,44.0,AB7C2D_oP44_62_c_3c2d_2c_c:Ba-O-P-Pb +mp-1233401,CaTi3V5O16,-8.8624254268,-2.8520804004,0.1129462062,0.1129462062,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V +mp-1233418,CaTi3V5O16,-8.8653510724,-2.855006046,0.1100205606,0.1100205606,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V +mp-1234644,CaTi3V5O16,-8.8127352192,-2.8023901928,0.1626364138,0.1626364138,GGA+U,P1,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V,25.0,AB16C3D5_aP25_1_a_16a_3a_5a:Ca-O-Ti-V +mp-631417,ReRuCl2,-5.3200405125,1.0339602488,1.8187723386,1.8187723386,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cl-Re-Ru,4.0,A2BC_cF16_225_c_a_b:Cl-Re-Ru +mp-1191105,ReRu2(NCl)10,-5.659786827,0.1160239607,0.7047152369,0.7047152369,GGA,C2/m,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Re-Ru,23.0,A10B10CD2_mC46_12_g4i_i2j_a_i:Cl-N-Re-Ru +mp-1210107,ReRuN5Cl7,-4.8675894448,0.5853506245,1.2653074622,1.2653074622,GGA,P2_1/m,A7B5CD_mP56_11_8e3f_4e3f_2e_2e:Cl-N-Re-Ru,56.0,A7B5CD_mP56_11_8e3f_4e3f_2e_2e:Cl-N-Re-Ru +mp-632724,ReH8(NCl3)2,-4.8533046712,-0.8915078856,0.0,-0.0296507966,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Re,17.0,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Re +mp-1212529,HRu(NCl2)2,-3.9307951344,0.660988,1.3674797431,1.3674797431,GGA,C2/m,A4BC2D_mC32_12_2j_i_abi_i:Cl-H-N-Ru,,A4BC2D_mC32_12_2j_i_abi_i:Cl-H-N-Ru +mp-1202248,ReH30Ru2(NCl)10,-5.1183968281,-0.6915019325,0.0293616348,0.0293616348,GGA,C2/m,A10B30C10DE2_mC106_12_g4i_i7j_i2j_a_i:Cl-H-N-Re-Ru,53.0,A10B30C10DE2_mC106_12_g4i_i7j_i2j_a_i:Cl-H-N-Re-Ru +mp-554523,TeBrO3F5,-4.4808951113,-1.5715155918,0.0,-0.0134290211,GGA,P2_1/c,AB5C3D_mP40_14_e_5e_3e_e:Br-F-O-Te,40.0,"Invalid WP multiplicities - AB5C3D_mP40_14_e_17e_8e_e:Br-F-O-Te, expected TeBrO8F17 to be TeBrO3F5" +mp-1229049,AsBrOF8,-4.2460651905,-1.8414590826,0.0,-0.0507993666,GGA,P2_1,ABC8D_mP44_4_2a_2a_16a_2a:As-Br-F-O,44.0,"Invalid WP multiplicities - ABC8D_mP44_4_3a_3a_32a_3a:As-Br-F-O, expected As3Br3O3F32 to be AsBrOF8" +mp-27379,TeAsF5,-4.6653942312000005,-2.1854200689,0.1118850524,0.1118850524,GGA,C2/c,AB5C_mC168_15_3f_15f_3f:As-F-Te,84.0,"Invalid WP multiplicities - AB5C_mC168_15_3f_17f_3f:As-F-Te, expected Te3As3F17 to be TeAsF5" +mp-29074,Te7As2F12,-4.3195272663,-1.7357593771,0.0897311978,0.0897311978,GGA,Pnma,A2B12C7_oP84_62_2c_4c4d_c3d:As-F-Te,84.0,"Invalid WP multiplicities - A2B12C7_oP84_62_2c_5c6d_c3d:As-F-Te, expected Te7As2F17 to be Te7As2F12" +mp-680183,Te5As2Br4O5F26,-4.5657259874000005,-2.0495646467,0.0059315151,0.0059315151,GGA,P-1,A2B4C26D5E5_aP168_2_4i_8i_52i_10i_10i:As-Br-F-O-Te,168.0,"Invalid WP multiplicities - A2B4C26D5E5_aP168_2_8i_16i_104i_18i_16i:As-Br-F-O-Te, expected Te8As4Br8O9F52 to be Te5As2Br4O5F26" +mp-557570,TeAs(BrF2)3,-4.103944197,-1.9284548249,0.0,-0.0437313307,GGA,P2_1/c,AB3C6D_mP44_14_e_3e_6e_e:As-Br-F-Te,44.0,"Invalid WP multiplicities - AB3C6D_mP44_14_e_7e_22e_e:As-Br-F-Te, expected TeAsBr7F22 to be TeAs(BrF2)3" +mp-1246756,CsCuN,-4.2156241492,0.2280771732,0.4139110346,0.4139110346,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-Cu-N,12.0,ABC_oP12_62_c_c_c:Cs-Cu-N +mp-1245622,CsCuN,-4.2406288233,0.203072499,0.3889063605,0.3889063605,GGA,P-6m2,ABC_hP3_187_c_b_a:Cs-Cu-N,3.0,ABC_hP3_187_c_b_a:Cs-Cu-N +mp-19732,Cs2CuPb(NO2)6,-6.4043823523,-0.9961145082,0.1119643003,0.1119643003,GGA,Fm-3,A2BC6D12E_cF88_202_c_a_e_h_b:Cs-Cu-N-O-Pb,22.0,A2BC6D12E_cF88_202_c_a_e_h_b:Cs-Cu-N-O-Pb +mp-1022723,Ce2Cu(NO)2,-8.0074481214,-1.9314835139,0.2743381333,0.2743381333,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_d_c:Ce-Cu-N-O,7.0,A2BC2D2_tI14_139_e_a_d_c:Ce-Cu-N-O +mp-1147587,Ce2Cu(NO)2,-8.2111963371,-2.1352317296,0.0705899176,0.0705899176,GGA,I4/mmm,A2BC2D2_tI14_139_e_a_c_d:Ce-Cu-N-O,7.0,A2BC2D2_tI14_139_e_a_c_d:Ce-Cu-N-O +mp-667353,Rb3Ce2(NO3)9,-6.9049402227000005,-1.4562370506,0.0347749172,0.0347749172,GGA,P4_132,A2B9C27D3_cP164_213_c_de_d4e_d:Ce-N-O-Rb,164.0,"Invalid WP multiplicities - A2B9C27D3_cP164_213_c_10d9e_10d74e_d:Ce-N-O-Rb, expected Rb3Ce2(N14O79)6 to be Rb3Ce2(NO3)9" +mp-559047,Rb5CeCu2(NO2)12,-6.4567333016,-1.0523550964,0.2410701998,0.2410701998,GGA,Pn-3,AB2C12D24E5_cP88_201_a_b_h_2h_cd:Ce-Cu-N-O-Rb,88.0,"Invalid WP multiplicities - AB2C12D24E5_cP88_201_a_b_h_26h_3c3d:Ce-Cu-N-O-Rb, expected Rb15CeCu2(NO26)12 to be Rb5CeCu2(NO2)12" +mp-1096766,CeCuN2,-7.4312854825,-0.7549640638,0.1370970658,0.1370970658,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ce-Cu-N,4.0,ABC2_tP4_123_a_d_e:Ce-Cu-N +mp-557282,Rb2Ce(NO3)6,-6.8352235496,-1.3925004514,0.0,-0.0714512365,GGA,P2_1/c,AB6C18D2_mP54_14_a_3e_9e_e:Ce-N-O-Rb,54.0,"Invalid WP multiplicities - AB6C18D2_mP54_14_a_9e_31e_e:Ce-N-O-Rb, expected Rb2Ce(N9O31)2 to be Rb2Ce(NO3)6" +mp-1204560,Rb2CeN5O19,-6.3279534328,-1.0107787128,0.2744305767,0.2744305767,GGA,Cc,AB5C19D2_mC108_9_a_5a_19a_2a:Ce-N-O-Rb,54.0,AB5C19D2_mC108_9_a_5a_19a_2a:Ce-N-O-Rb +mp-1211641,KLa(SeO4)2,-6.4232914204,-2.0389798623,0.0,-0.144980408,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:K-La-O-Se,48.0,ABC8D2_mP48_14_e_e_8e_2e:K-La-O-Se +mp-1521277,KBaLaSeO6,-6.5439872942,-2.4298448205,0.104642864,0.104642864,GGA,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-K-La-O-Se,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-K-La-O-Se, expected K2BaLaSeO12 to be KBaLaSeO6" +mp-1521248,KBaLaSeO6,-6.544620727,-2.4304782533,0.1040094313,0.1040094313,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-La-O-Se,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-La-O-Se +mp-1212472,K2Nd4Ge4O17,-6.8688644994,-2.2807457167000003,0.3708985559,0.3708985559,GGA,P2_1/m,A4B2C4D17_mP54_11_2f_2e_2f_3e7f:Ge-K-Nd-O,54.0,"Invalid WP multiplicities - A4B2C4D17_mP54_11_2f_2e_2f_3e13f:Ge-K-Nd-O, expected K2Nd4Ge4O29 to be K2Nd4Ge4O17" +mp-1226214,Co7CuAs4(HO5)4,-6.6221215956,-1.4832720606,0.0024815675,0.0024815675,GGA+U,Pm,A4B7CD4E20_mP36_6_2a2b_a2b2c_a_2a2b_6a6b4c:As-Co-Cu-H-O,36.0,"Invalid WP multiplicities - A4B7CD4E20_mP36_6_2a2b_a2b4c_a_2a2b_6a6b8c:As-Co-Cu-H-O, expected Co11CuAs4(HO7)4 to be Co7CuAs4(HO5)4" +mp-15202,Li6Ca12Mo4N16O3,-6.7827698849,-1.2430791255,0.0591683886,0.0591683886,GGA+U,I-43d,A12B6C4D16E3_cI164_220_e_d_c_ce_a:Ca-Li-Mo-N-O,82.0,A12B6C4D16E3_cI164_220_e_d_c_ce_a:Ca-Li-Mo-N-O +mp-29025,Li5Br2N,-3.80505973,-1.1816639902,0.0,-0.0086492629,GGA,Immm,A2B5C_oI16_71_g_bl_a:Br-Li-N,8.0,"Invalid WP multiplicities - A2B5C_oI16_71_g_b2l_a:Br-Li-N, expected Li9Br2N to be Li5Br2N" +mp-724995,LiBrN,-3.3494253633,0.5833900106000001,1.835292435,1.835292435,GGA,P2_1/c,ABC_mP12_14_e_e_e:Br-Li-N,12.0,ABC_mP12_14_e_e_e:Br-Li-N +mp-676650,Li6Br3N,-3.73327993,-1.2883682185,0.032533701,0.032533701,GGA,Cm,A3B6C_mC20_8_ab_4ab_a:Br-Li-N,10.0,"Invalid WP multiplicities - A3B6C_mC20_8_a2b_4a2b_a:Br-Li-N, expected Li8Br5N to be Li6Br3N" +mp-34326,Li6Br3N,-3.740695076,-1.2957833645,0.025118555,0.025118555,GGA,C2/m,A3B6C_mC20_12_ah_ij_b:Br-Li-N,10.0,"Invalid WP multiplicities - A3B6C_mC20_12_a2h_2ij_b:Br-Li-N, expected Li8Br5N to be Li6Br3N" +mp-569085,Li6Br3N,-3.7448793315,-1.29996762,0.0209342995,0.0209342995,GGA,P2_1/c,A3B6C_mP20_14_ae_3e_d:Br-Li-N,20.0,"Invalid WP multiplicities - A3B6C_mP20_14_ae_7e_b:Br-Li-N, expected Li14Br3N to be Li6Br3N" +mp-568365,Li6Br3N,-3.7514873051,-1.3065755936,0.0143263259,0.0143263259,GGA,Ibca,A3B6C_oI160_73_2cdef_6f_ab:Br-Li-N,80.0,"Invalid WP multiplicities - A3B6C_oI160_73_4c4d7e6f_39f_2a3b:Br-Li-N, expected Li78Br27N5 to be Li6Br3N" +mp-27508,Li6Br3N,-3.704304553,-1.2593928415,0.061509078,0.061509078,GGA,Fm-3m,A3B6C_cF40_225_ac_e_b:Br-Li-N,10.0,A3B6C_cF40_225_ac_e_b:Br-Li-N +mp-28989,Li10BrN3,-3.9303970614,-0.6695583635,0.0,-0.0056597118,GGA,P-6m2,AB10C3_hP14_187_b_c2jk_j:Br-Li-N,14.0,"Invalid WP multiplicities - AB10C3_hP14_187_b_c3jk_j:Br-Li-N, expected Li13BrN3 to be Li10BrN3" +mp-569782,Sr2LiCBr3N2,-5.7323958806,-1.7492125355,0.0,-0.0086522708,GGA,Fd-3m,A3BCD2E2_cF144_227_f_c_d_e_e:Br-C-Li-N-Sr,36.0,A3BCD2E2_cF144_227_f_c_d_e_e:Br-C-Li-N-Sr +mp-651750,InRe2C10BrO10,-8.1498623722,-1.0270578527,0.228965342,0.228965342,GGA,P2_1/c,AB10CD10E2_mP192_14_2e_20e_2e_20e_4e:Br-C-In-O-Re,192.0,"Invalid WP multiplicities - AB10CD10E2_mP192_14_6e_79e_4e_75e_14e:Br-C-In-O-Re, expected In4Re14C79(Br2O25)3 to be InRe2C10BrO10" +mp-620054,ReC5BrO5,-8.1366196858,-1.0637591414,0.1548656253,0.1548656253,GGA,Pnma,AB5C5D_oP48_62_c_c2d_c2d_c:Br-C-O-Re,48.0,"Invalid WP multiplicities - AB5C5D_oP48_62_c_3c11d_2c9d_c:Br-C-O-Re, expected ReC25BrO20 to be ReC5BrO5" +mp-1196269,InRe2(CO)9,-8.3709846406,-0.9796072152,0.261752814,0.261752814,GGA,P2_1/c,A9BC9D2_mP84_14_9e_e_9e_2e:C-In-O-Re,84.0,A9BC9D2_mP84_14_9e_e_9e_2e:C-In-O-Re +mp-755505,Li2NbOF5,-6.4198030878,-3.2616659409,0.008421649,0.008421649,GGA,Cm,A5B2CD_mC18_8_a2b_b_a_a:F-Li-Nb-O,9.0,"Invalid WP multiplicities - A5B2CD_mC18_8_a3b_b_a_a:F-Li-Nb-O, expected Li2NbOF7 to be Li2NbOF5" +mp-756639,Li2NbOF5,-6.4184551096,-3.2603179627,0.0097696272,0.0097696272,GGA,P3_1,A5B2CD_hP27_144_5a_2a_a_a:F-Li-Nb-O,27.0,"Invalid WP multiplicities - A5B2CD_hP27_144_14a_2a_a_a:F-Li-Nb-O, expected Li2NbOF14 to be Li2NbOF5" +mp-1222399,LiNbO2F,-7.547837123,-2.7848202637,0.2206434095,0.2206434095,GGA,Cc,ABCD2_mC20_9_a_a_a_2a:F-Li-Nb-O,10.0,"Invalid WP multiplicities - ABCD2_mC20_9_a_a_a_3a:F-Li-Nb-O, expected LiNbO3F to be LiNbO2F" +mp-1235102,LiNb3O7F,-8.6924734108,-2.9632119164,0.0765432187,0.0765432187,GGA,Pm,ABC3D7_mP12_6_a_a_3b_2a5b:F-Li-Nb-O,12.0,ABC3D7_mP12_6_a_a_3b_2a5b:F-Li-Nb-O +mp-1235339,LiNb3O7F,-8.6924902567,-2.9632287623,0.0765263729,0.0765263729,GGA,Amm2,ABC3D7_oC24_38_a_a_3b_2a5b:F-Li-Nb-O,12.0,ABC3D7_oC24_38_a_a_3b_2a5b:F-Li-Nb-O +mp-1173159,SrLiNb2O6F,-8.0430703777,-3.0073760473,0.218254115,0.218254115,GGA,Pc,ABC2D6E_mP22_7_a_a_2a_6a_a:F-Li-Nb-O-Sr,22.0,"Invalid WP multiplicities - ABC2D6E_mP22_7_a_a_4a_12a_a:F-Li-Nb-O-Sr, expected SrLiNb4O12F to be SrLiNb2O6F" +mp-753719,SrLiNb2O6F,-8.2288263955,-3.193132065,0.0324980973,0.0324980973,GGA,I-4m2,ABC2D6E_tI22_119_a_c_e_e2f_b:F-Li-Nb-O-Sr,11.0,"Invalid WP multiplicities - ABC2D6E_tI22_119_a_c_e_2e2f_b:F-Li-Nb-O-Sr, expected SrLiNb2O8F to be SrLiNb2O6F" +mp-769319,LiNb(OF)2,-7.4593200538,-3.1715595097,0.0,-0.0036916604,GGA,P2_1/c,A2BCD2_mP24_14_2e_e_e_2e:F-Li-Nb-O,24.0,"Invalid WP multiplicities - A2BCD2_mP24_14_7e_e_e_3e:F-Li-Nb-O, expected LiNbO3F7 to be LiNb(OF)2" +mp-769316,Li5Nb3OF18,-6.1851149993,-3.2517135333,0.0853072015,0.0853072015,GGA,I4cm,A18B5C3D_tI108_108_3c3d_bd_ac_a:F-Li-Nb-O,54.0,"Invalid WP multiplicities - A18B5C3D_tI108_108_6c11d_b2d_ac_a:F-Li-Nb-O, expected Li9Nb3OF56 to be Li5Nb3OF18" +mp-769384,Li3NbOF6,-6.1307282102,-3.1994885597,0.0516639408,0.0516639408,GGA,P2_12_12_1,A6B3CD_oP44_19_6a_3a_a_a:F-Li-Nb-O,44.0,"Invalid WP multiplicities - A6B3CD_oP44_19_21a_9a_a_a:F-Li-Nb-O, expected Li9NbOF21 to be Li3NbOF6" +mp-560354,SbCl(OF3)2,-4.63198589,-1.8980069773,0.0,-0.0497602119,GGA,Pmmn,AB6C2D_oP20_59_a_e2f_e_b:Cl-F-O-Sb,20.0,"Invalid WP multiplicities - AB6C2D_oP20_59_a_4e7f_e_b:Cl-F-O-Sb, expected SbCl(OF11)2 to be SbCl(OF3)2" +mp-558692,Sb2ClO2F11,-4.7282674289,-2.1641308536,0.0,-0.0121351094,GGA,P2_1/c,AB11C2D2_mP64_14_e_11e_2e_2e:Cl-F-O-Sb,64.0,"Invalid WP multiplicities - AB11C2D2_mP64_14_e_42e_5e_3e:Cl-F-O-Sb, expected Sb3ClO5F42 to be Sb2ClO2F11" +mp-1198269,NaSbClOF3,-4.4594535468,-1.8907122886,0.5117903464,0.5117903464,GGA,Pbca,AB3CDE_oP56_61_c_3c_c_c_c:Cl-F-Na-O-Sb,56.0,AB3CDE_oP56_61_c_3c_c_c_c:Cl-F-Na-O-Sb +mp-1219529,Sb3Cl9OF4,-4.1013930344,-1.6533672555,0.0,-0.0154125625,GGA,P-1,A9B4CD3_aP34_2_9i_4i_i_3i:Cl-F-O-Sb,34.0,A9B4CD3_aP34_2_9i_4i_i_3i:Cl-F-O-Sb +mp-1233513,K2Gd2Mg(MoO4)4,-8.6577633492,-2.4776456594000003,0.1052813343,0.1052813343,GGA+U,P1,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O,25.0,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O +mp-1233640,K2Gd2Mg(MoO4)4,-8.6405451876,-2.4604274978,0.1224994959,0.1224994959,GGA+U,P1,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O,25.0,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O +mp-1234663,K2Gd2Mg(MoO4)4,-8.6165143252,-2.4363966354,0.1465303583,0.1465303583,GGA+U,P1,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O,25.0,A2B2CD4E16_aP25_1_2a_2a_a_4a_16a:Gd-K-Mg-Mo-O +mp-1190148,KGd(MoO4)2,-8.8930733121,-2.522129054,0.0116637923,-0.0095509488,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Gd-K-Mo-O,24.0,ABC2D8_aP24_2_i_i_2i_8i:Gd-K-Mo-O +mp-1382022,KGd(MoO4)2,-5.0347190758,1.3362251823,3.8700180285,3.8488032875,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Gd-K-Mo-O,24.0,ABC2D8_aP24_2_i_i_2i_8i:Gd-K-Mo-O +mp-1211455,KGd(MoO4)2,-8.8890483167,-2.5181040586,0.0156887877,-0.0055259533,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Gd-K-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Gd-K-Mo-O +mp-1211580,KGd(MoO4)2,-8.9047371044,-2.5337928463,0.0,-0.021214741,GGA+U,Pbcn,ABC2D8_oP48_60_c_c_d_4d:Gd-K-Mo-O,48.0,ABC2D8_oP48_60_c_c_d_4d:Gd-K-Mo-O +mp-772155,Li2BiAsCO7,-6.63555402,-1.9544757084,0.0575236246,0.0575236246,GGA,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-Bi-C-Li-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-Bi-C-Li-O, expected Li2BiAsCO13 to be Li2BiAsCO7" +mp-1222786,LaYFe2(AsO)2,-7.635130065,-1.6908632061,0.2822746073,0.2822746073,GGA+U,P4mm,A2B2CD2E_tP8_99_ab_c_a_c_b:As-Fe-La-O-Y,8.0,A2B2CD2E_tP8_99_ab_c_a_c_b:As-Fe-La-O-Y +mp-1223197,La3YFe4(AsO)4,-7.5680165631,-1.7194037048,0.2386127054,0.2386127054,GGA+U,Pmm2,A4B4C3D4E_oP16_25_acf_bde_af_bde_c:As-Fe-La-O-Y,16.0,A4B4C3D4E_oP16_25_acf_bde_af_bde_c:As-Fe-La-O-Y +mp-1223178,La3YFe4(AsO)4,-7.5605441425,-1.7119312842,0.246085126,0.246085126,GGA+U,P4mm,A4B4C3D4E_tP16_99_2a2b_2c_a2b_2c_a:As-Fe-La-O-Y,16.0,"Invalid WP multiplicities - A4B4C3D4E_tP16_99_2a2b_4c_a2b_4c_a:As-Fe-La-O-Y, expected La3YFe8(AsO2)4 to be La3YFe4(AsO)4" +mp-768815,NaSbAsCO7,-6.6747116577,-1.7686997114,0.0981772582,0.0981772582,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Na-O-Sb,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:As-C-Na-O-Sb, expected NaSbAsCO13 to be NaSbAsCO7" +mp-771166,Na2SbAsCO7,-6.5383085604,-1.9309205018,0.008026814,0.008026814,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Na-O-Sb,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-Na-O-Sb, expected Na2SbAsCO13 to be Na2SbAsCO7" +mp-1520595,Sr2CuWO6,-7.454256131,-2.4426105236,0.0715799172,0.0715799172,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cu-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Cu-O-Sr-W +mp-1218848,Sr8Cu(WO6)3,-7.6390307262,-2.7880326665,0.0472825186,0.0472825186,GGA+U,P1,AB18C8D3_aP60_1_2a_36a_16a_6a:Cu-O-Sr-W,60.0,AB18C8D3_aP60_1_2a_36a_16a_6a:Cu-O-Sr-W +mp-1225898,Cu4MoW3O16,-7.7111265346,-1.6584645821,0.0728408898,0.0728408898,GGA+U,P1,A4BC16D3_aP24_1_4a_a_16a_3a:Cu-Mo-O-W,24.0,A4BC16D3_aP24_1_4a_a_16a_3a:Cu-Mo-O-W +mp-1218348,Sr4Cu2MoWO12,-7.322839903,-2.4168183016,0.0696698283,0.0696698283,GGA+U,P4/m,A2BC12D4E_tP20_83_ad_b_ghjk_i_c:Cu-Mo-O-Sr-W,20.0,"Invalid WP multiplicities - A2BC12D4E_tP20_83_ad_b_g2h3j3k_i_c:Cu-Mo-O-Sr-W, expected Sr4Cu2MoWO30 to be Sr4Cu2MoWO12" +mp-1218927,Sr10Cu5Mo(W2O15)2,-7.4205787026,-2.4511826976,0.0519268188,0.0519268188,GGA+U,I4/m,A5BC30D10E4_tI100_87_a2e_b_5eh2i_d2g_2e:Cu-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5BC30D10E4_tI100_87_a3e_b_10e4h12i_2d6g_3e:Cu-Mo-O-Sr-W, expected Sr28Cu7Mo(WO22)6 to be Sr10Cu5Mo(W2O15)2" +mp-1218943,Sr10Cu5Mo3(WO15)2,-7.2915884896,-2.4066916894,0.068762921,0.068762921,GGA+U,P-1,A5B3C30D10E2_aP50_2_b2i_ci_15i_5i_i:Cu-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B3C30D10E2_aP50_2_b3i_e2i_30i_10i_i:Cu-Mo-O-Sr-W, expected Sr20Cu7Mo5(WO30)2 to be Sr10Cu5Mo3(WO15)2" +mp-1348763,Sr10Cu5Mo3(WO15)2,-3.2326950196,1.6522017806,4.127656391,4.127656391,GGA+U,P-1,A5B3C30D10E2_aP50_2_b2i_ei_15i_5i_i:Cu-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B3C30D10E2_aP50_2_b3i_c2i_30i_10i_i:Cu-Mo-O-Sr-W, expected Sr20Cu7Mo5(WO30)2 to be Sr10Cu5Mo3(WO15)2" +mp-1043567,Sr2Cu2WO7,-6.7462196671,-1.8160237125,0.4363735031,0.4363735031,GGA+U,Cm,A2B7C2D_mC48_8_2b_2a6b_2b_2a:Cu-O-Sr-W,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_8_3b_2a9b_3b_2a:Cu-O-Sr-W, expected Sr3Cu3WO10 to be Sr2Cu2WO7" +mp-1218939,Sr10Cu5Mo4WO30,-7.2292739124,-2.3866267146,0.0667608569,0.0667608569,GGA+U,C2/m,A5B4C30D10E_mC100_12_a2i_2i_g10i2j_h2j_b:Cu-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B4C30D10E_mC100_12_a3i_3i_2g20i5j_2h6j_b:Cu-Mo-O-Sr-W, expected Sr28Cu7Mo6WO64 to be Sr10Cu5Mo4WO30" +mp-774596,Li4Ti2V3Cr4O18,-8.3246182911,-2.5720060204,0.0859602888,0.0859602888,GGA+U,Pbam,A4B4C18D2E3_oP62_55_gh_2g_4g5h_g_ah:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D2E3_oP62_55_3g2h_5g_12g20h_g_2a2h:Cr-Li-O-Ti-V, expected Li5TiV3Cr5O32 to be Li4Ti2V3Cr4O18" +mp-767927,Li4TiV4Cr4O18,-8.265960264,-2.4750120561,0.0867120318,0.0867120318,GGA+U,Pmc2_1,A4B4C18DE4_oP62_26_2a2b_4a_8a10b_a_2a2b:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18DE4_oP62_26_4a2b_6a_14a20b_a_4a2b:Cr-Li-O-Ti-V, expected Li6TiV6Cr6O34 to be Li4TiV4Cr4O18" +mp-772990,Li4Ti2V3Cr3O16,-8.3301173629,-2.6592403807,0.0293743554,0.0293743554,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_a2b:Cr-Li-O-Ti-V, expected Li4Ti2V5Cr3O20 to be Li4Ti2V3Cr3O16" +mp-772715,Li4Ti3V3Cr2O16,-8.3874168471,-2.7793097026,0.0295914405,0.0295914405,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Cr-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A2B4C16D3E3_mC56_8_2a_4a_8a6b_ab_ab:Cr-Li-O-Ti-V, expected Li4Ti3V3Cr2O20 to be Li4Ti3V3Cr2O16" +mp-774581,Li4Ti3V2Cr4O18,-8.3745570552,-2.6602807216,0.0939278089,0.0939278089,GGA+U,Pmc2_1,A4B4C18D3E2_oP62_26_2a2b_4a_8a10b_2ab_ab:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D3E2_oP62_26_4a2b_6a_14a20b_3ab_2ab:Cr-Li-O-Ti-V, expected Li6Ti4V3Cr6O34 to be Li4Ti3V2Cr4O18" +mp-773510,TiV2CrO10,-8.3548563364,-2.2703392836000003,0.0981165666,0.0981165666,GGA+U,P-4m2,AB10CD2_tP14_115_a_gjk_b_g:Cr-O-Ti-V,14.0,"Invalid WP multiplicities - AB10CD2_tP14_115_a_2g2j2k_b_g:Cr-O-Ti-V, expected TiV2CrO20 to be TiV2CrO10" +mp-1236317,LiTiV2CrO10,-8.1825326433,-2.3763885363,0.1109547921,0.1109547921,GGA+U,P1,ABC10DE2_aP15_1_a_a_10a_a_2a:Cr-Li-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_mC30_5_a_b_8c_a_c:Cr-Li-O-Ti-V, expected LiTiV2CrO16 to be LiTiV2CrO10" +mp-1235970,LiTiV2CrO10,-8.1372061047,-2.3310619976,0.1562813307,0.1562813307,GGA+U,Pm,ABC10DE2_mP15_6_b_a_3a3b2c_a_ab:Cr-Li-O-Ti-V,15.0,ABC10DE2_mP15_6_b_a_3a3b2c_a_ab:Cr-Li-O-Ti-V +mp-1235154,LiTiV2CrO10,-8.154531536,-2.3483874289,0.1389558994,0.1389558994,GGA+U,P-4m2,ABC10DE2_tP15_115_b_c_gjk_a_g:Cr-Li-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_tP15_115_b_c_2g2j2k_a_g:Cr-Li-O-Ti-V, expected LiTiV2CrO20 to be LiTiV2CrO10" +mp-1235419,LiTiV2CrO10,-8.135672506,-2.3295283989,0.1578149294,0.1578149294,GGA+U,P-4m2,ABC10DE2_tP15_115_a_c_gjk_b_g:Cr-Li-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_tP15_115_a_c_2g2j2k_b_g:Cr-Li-O-Ti-V, expected LiTiV2CrO20 to be LiTiV2CrO10" +mp-884288,Li4Ti4V4CrO18,-8.422061625,-2.8011994287,0.08646202,0.08646202,GGA+U,Pbam,AB4C18D4E4_oP62_55_a_2g_4g5h_gh_gh:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - AB4C18D4E4_oP62_55_a_5g_12g20h_3g2h_3g2h:Cr-Li-O-Ti-V, expected Li10Ti10V10CrO64 to be Li4Ti4V4CrO18" +mp-774678,Li4Ti3V4Cr2O18,-8.365457776,-2.6879002424,0.0926442182,0.0926442182,GGA+U,Pmc2_1,A2B4C18D3E4_oP62_26_ab_4a_8a10b_2ab_2a2b:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A2B4C18D3E4_oP62_26_2ab_6a_14a20b_3ab_4a2b:Cr-Li-O-Ti-V, expected Li6Ti4V6Cr3O34 to be Li4Ti3V4Cr2O18" +mp-774577,Li4Ti4VCr4O18,-8.439419619,-2.7634792227,0.0869715291,0.0869715291,GGA+U,Pbam,A4B4C18D4E_oP62_55_gh_2g_4g5h_gh_a:Cr-Li-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D4E_oP62_55_3g2h_5g_12g20h_3g2h_a:Cr-Li-O-Ti-V, expected Li10Ti10VCr10O64 to be Li4Ti4VCr4O18" +mp-780134,Li4Ti3V2Cr3O16,-8.3960234575,-2.7675898344,0.0275787896,0.0275787896,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-Ti-V, expected Li4Ti3V2Cr3O20 to be Li4Ti3V2Cr3O16" +mp-1227676,BaSrCoWO6,-7.914747169,-2.5792423004,0.01503081,0.01503081,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Co-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Co-O-Sr-W +mp-560016,NaNb2PO8,-8.4486995558,-2.9060372583,0.0,-0.0040749329,GGA,P2_1,AB2C8D_mP48_4_2a_4a_16a_2a:Na-Nb-O-P,48.0,"Invalid WP multiplicities - AB2C8D_mP48_4_3a_8a_31a_2a:Na-Nb-O-P, expected Na3Nb8P2O31 to be NaNb2PO8" +mp-1221022,NaNb4(PO4)6,-8.326917076,-2.8146859456,0.0133587702,0.0133587702,GGA,R-3,AB4C24D6_hR105_148_a_2c_4f_f:Na-Nb-O-P,35.0,"Invalid WP multiplicities - AB4C24D6_hR105_148_a_4c_8f_f:Na-Nb-O-P, expected NaNb8(PO8)6 to be NaNb4(PO4)6" +mp-553959,Na6Nb8(PO7)5,-8.2245928541,-2.8737371224,0.0,-0.010870301,GGA,R32,A6B8C35D5_hR162_155_de_cf_cd5f_ce:Na-Nb-O-P,54.0,"Invalid WP multiplicities - A6B8C35D5_hR162_155_2d2e_2c2f_2c3d26f_2ce:Na-Nb-O-P, expected Na12Nb16P7O169 to be Na6Nb8(PO7)5" +mp-556637,Ba6Na2Nb2P2O17,-7.6015270307,-3.1435331199,0.0,-0.0236117047,GGA,P-3m1,A6B2C2D17E2_hP29_164_ab2d_c_d_de2i_d:Ba-Na-Nb-O-P,29.0,"Invalid WP multiplicities - A6B2C2D17E2_hP29_164_ab2d_c_d_2d3e8i_d:Ba-Na-Nb-O-P, expected Ba6Na2Nb2P2O61 to be Ba6Na2Nb2P2O17" +mp-554356,Na4Nb9(P2O13)3,-8.4401988164,-2.8953277593,0.0056316248,0.0056316248,GGA,P2_12_12,A4B9C39D6_oP116_18_2c_a4c_b19c_3c:Na-Nb-O-P,116.0,"Invalid WP multiplicities - A4B9C39D6_oP116_18_6c_2a13c_2b76c_9c:Na-Nb-O-P, expected Na6Nb14P9O77 to be Na4Nb9(P2O13)3" +mp-1221330,Na3Nb7P4O29,-8.481361236,-2.9049916125,0.0050734442,0.0050734442,GGA,C2,A3B7C29D4_mC172_5_3c_7c_ab28c_4c:Na-Nb-O-P,86.0,A3B7C29D4_mC172_5_3c_7c_ab28c_4c:Na-Nb-O-P +mp-1203771,Na2Nb2(P2O7)3,-7.9078492495,-2.7721092933,0.0,-0.0387046388,GGA,P6_3/m,A2B2C21D6_hP62_176_ab_f_h3i_i:Na-Nb-O-P,62.0,A2B2C21D6_hP62_176_ab_f_h3i_i:Na-Nb-O-P +mp-1216042,ZnCu4(WO4)5,-7.8143410215,-1.7683078327,0.0639193597,0.0639193597,GGA+U,P1,A4B20C5D_aP60_1_8a_40a_10a_2a:Cu-O-W-Zn,60.0,A4B20C5D_aP60_1_8a_40a_10a_2a:Cu-O-W-Zn +mp-1041762,Zn2CuWO6,-6.627364861,-1.7016692222,0.0803570301,0.0803570301,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Cu-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Cu-O-W-Zn +mp-1343267,Zn2CuWO6,-6.6092711095,-1.6835754708,0.0984507816,0.0984507816,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Cu-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_b_e:Cu-O-W-Zn +mp-2217843,MgZn2CuWO6,-6.4836208673,-1.8602357366,0.1920740841,0.1920740841,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Cu-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Cu-Mg-O-W-Zn +mp-1328687,ZnCuW2O7,-7.6466425014,-1.6555487088,0.2642321216,0.2642321216,GGA+U,P2/c,AB7C2D_mP66_13_eg_f10g_3g_eg:Cu-O-W-Zn,66.0,"Invalid WP multiplicities - AB7C2D_mP66_13_2e3g_2f38g_9g_2e3g:Cu-O-W-Zn, expected Zn4Cu4(W3O13)3 to be ZnCuW2O7" +mp-1041432,ZnCu2(WO4)2,-7.3786093838,-1.6133842223,0.159875604,0.159875604,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Cu-O-W-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_6e_26e_5e_e:Cu-O-W-Zn, expected ZnCu6W5O26 to be ZnCu2(WO4)2" +mp-1043315,ZnCu3(WO3)4,-7.7830738465,-1.5455663928,0.2543032374,0.2543032374,GGA+U,P-1,A3B12C4D_aP20_2_aef_6i_bcdh_g:Cu-O-W-Zn,20.0,"Invalid WP multiplicities - A3B12C4D_aP20_2_aef_11i_bcdh_g:Cu-O-W-Zn, expected ZnCu3(W2O11)2 to be ZnCu3(WO3)4" +mp-1216187,ZnCu3(WO4)4,-7.8150261087,-1.7926551121,0.0537071498,0.0537071498,GGA+U,P1,A3B16C4D_aP24_1_3a_16a_4a_a:Cu-O-W-Zn,24.0,A3B16C4D_aP24_1_3a_16a_4a_a:Cu-O-W-Zn +mp-1215825,Zn3Cu(WO4)4,-7.7451310762,-1.9593820012,0.0283309556,0.0283309556,GGA+U,P2,AB16C4D3_mP24_3_a_8e_bce_de:Cu-O-W-Zn,24.0,"Invalid WP multiplicities - AB16C4D3_mP24_3_a_16e_bde_ce:Cu-O-W-Zn, expected Zn3Cu(WO8)4 to be Zn3Cu(WO4)4" +mp-1215706,ZnCu(WO4)2,-7.7798859717,-1.8758259358,0.0412116735,0.0412116735,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Cu-O-W-Zn,12.0,AB8C2D_aP12_1_a_8a_2a_a:Cu-O-W-Zn +mp-558137,AlBPbO4,-7.5672672241,-2.7209287218,0.0,-0.0145817516,GGA,Pbcn,ABC4D_oP56_60_ac_d_4d_d:Al-B-O-Pb,56.0,"Invalid WP multiplicities - ABC4D_oP56_60_3a2c_d_23d_d:Al-B-O-Pb, expected Al5B2(PbO23)2 to be AlBPbO4" +mp-559276,AlBPbO4,-7.5651126129,-2.7187741106,0.0021546112,-0.0124271404,GGA,Pnma,ABC4D_oP28_62_a_c_2cd_c:Al-B-O-Pb,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_7c5d_c:Al-B-O-Pb, expected AlBPbO17 to be AlBPbO4" +mp-19882,MnBPbO4,-7.8375743364,-2.2174587682,0.0,-0.0262460307,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:B-Mn-O-Pb,28.0,ABC4D_oP28_62_c_a_2cd_c:B-Mn-O-Pb +mp-7892,Mn2AlB2,-7.55609536,-0.4704173688,0.0,-0.0564787062,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Al-B-Mn,5.0,AB2C2_oC10_65_a_g_h:Al-B-Mn +mp-1221830,MnAlB2(PbO4)2,-7.7008919189,-2.4676648837,0.0015288613,0.0015288613,GGA+U,P2_1/c,AB2CD8E2_mP28_14_a_e_b_4e_e:Al-B-Mn-O-Pb,28.0,"Invalid WP multiplicities - AB2CD8E2_mP28_14_a_e_d_6e_e:Al-B-Mn-O-Pb, expected MnAlB2(PbO6)2 to be MnAlB2(PbO4)2" +mp-631514,AlB2Pb,-3.4308569425,1.7733946679,1.8132382934,1.8132382934,GGA,F-43m,AB2C_cF16_216_a_bc_d:Al-B-Pb,4.0,AB2C_cF16_216_a_bc_d:Al-B-Pb +mp-774419,MnCr3(PO4)6,-7.8583889491,-2.2901094841000003,0.0601026103,0.0601026103,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Mn-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Cr-Mn-O-P, expected MnCr3(PO10)6 to be MnCr3(PO4)6" +mp-775116,MnCr3(PO4)4,-8.3150700925,-2.526678963,0.0321692525,0.0321692525,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Mn-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Mn-O-P +mp-1221673,MnCrP2,-7.9678092175,-0.5573922736,0.0201031756,0.0201031756,GGA,Pmc2_1,ABC2_oP8_26_a_b_ab:Cr-Mn-P,8.0,ABC2_oP8_26_a_b_ab:Cr-Mn-P +mp-759795,MnCr3Te2(PO4)6,-7.7730570986,-2.3394983875,0.088768987,0.088768987,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Cr-Mn-O-P-Te,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_20b_2b_2a:Cr-Mn-O-P-Te, expected MnCr3Te2(PO10)6 to be MnCr3Te2(PO4)6" +mp-2214497,Mn5Cr(PO4)6,-8.1667191431,-2.4260672530000003,0.0428678347,0.0428678347,GGA+U,P1,AB5C24D6_aP36_1_a_5a_24a_6a:Cr-Mn-O-P,36.0,AB5C24D6_aP36_1_a_5a_24a_6a:Cr-Mn-O-P +mp-771695,Mn5Cr(PO4)6,-8.1699499475,-2.4292980575,0.0396370303,0.0396370303,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Cr-Mn-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Cr-Mn-O-P, expected Mn5Cr(PO10)6 to be Mn5Cr(PO4)6" +mp-775016,MnCr(PO4)2,-8.2660489467,-2.4981174912,0.0221965267,0.0221965267,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cr-Mn-O-P,24.0,ABC8D2_mP24_11_e_e_4e2f_2e:Cr-Mn-O-P +mp-780896,MnCr(PO4)2,-8.2049564844,-2.437025029,0.0832889889,0.0832889889,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Cr-Mn-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Cr-Mn-O-P, expected MnCr(PO10)2 to be MnCr(PO4)2" +mp-774508,Mn3Cr(PO4)4,-8.2135974642,-2.4661256828,0.0156541375,0.0156541375,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Mn-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Mn-O-P +mp-766852,Mn3CrTe2(PO4)6,-7.7182435289,-2.3119643833,0.085639945,0.085639945,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Mn-O-P-Te,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_20b_2b_2a:Cr-Mn-O-P-Te, expected Mn3CrTe2(PO10)6 to be Mn3CrTe2(PO4)6" +mp-778074,Mn7Cr(PO4)12,-7.7313732101,-2.1991990523,0.0812181275,0.0812181275,GGA+U,P1,AB7C48D12_aP68_1_a_7a_48a_12a:Cr-Mn-O-P,68.0,AB7C48D12_aP68_1_a_7a_48a_12a:Cr-Mn-O-P +mp-771880,Mn3Cr(PO4)6,-7.7734209715,-2.2340257522,0.0616285007,0.0616285007,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Cr-Mn-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Cr-Mn-O-P, expected Mn3Cr(PO10)6 to be Mn3Cr(PO4)6" +mp-1221731,Mn3CrP4,-7.941609675,-0.5925717534,0.0043409803,0.0043409803,GGA,Pm,AB3C4_mP8_6_a_a2b_2a2b:Cr-Mn-P,8.0,AB3C4_mP8_6_a_a2b_2a2b:Cr-Mn-P +mp-1221876,Mn3Cr3P2,-8.7773401769,-0.3683660144,0.0055922052,0.0055922052,GGA,C2,A3B3C2_mC32_5_3c_3c_2c:Cr-Mn-P,16.0,A3B3C2_mC32_5_3c_3c_2c:Cr-Mn-P +mp-776158,Mn2Cr(PO4)3,-8.160595565,-2.4063038923,0.0883206606,0.0883206606,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Cr-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Cr-Mn-O-P, expected Mn2Cr(PO26)3 to be Mn2Cr(PO4)3" +mp-1521465,BaSrVBiO6,-7.147863841,-2.5265642549000003,0.180346067,0.180346067,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-V +mp-559941,Ba2V3BiO11,-7.9127288453,-2.6572151368,0.0,-0.0032294169,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Bi-O-V,68.0,"Invalid WP multiplicities - A2BC11D3_mP68_14_3e_e_40e_7e:Ba-Bi-O-V, expected Ba3V7BiO40 to be Ba2V3BiO11" +mp-1202726,Ba2V3BiO11,-7.8914764771,-2.6359627686,0.0212523682,0.0180229513,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Bi-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Bi-O-V +mp-1522665,Ba2VBiO6,-7.1862397268,-2.541991992,0.1461289876,0.1461289876,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-V,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-V +mp-1522771,Ba2VBiO6,-7.198128449,-2.5538807143,0.1342402654,0.1342402654,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-V +mp-1195143,BaTiCu4P4O17,-7.2913023652,-2.4039611891,0.0,-0.0161988922,GGA,P42_12,AB4C17D4E_tP54_90_a_g_c4g_g_c:Ba-Cu-O-P-Ti,54.0,AB4C17D4E_tP54_90_a_g_c4g_g_c:Ba-Cu-O-P-Ti +mp-17997,BaTi2(P2O7)2,-8.1616043726,-2.9893752794,0.063375266,0.063375266,GGA,C2/c,AB14C4D2_mC84_15_c_7f_2f_ae:Ba-O-P-Ti,42.0,"Invalid WP multiplicities - AB14C4D2_mC84_15_a_8f_2f_ce:Ba-O-P-Ti, expected BaTi2(PO4)4 to be BaTi2(P2O7)2" +mp-1214296,BaTi(PO4)2,-8.2094899483,-3.1916081433,0.0,-0.0401042121,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Ba-O-P-Ti,12.0,AB8C2D_mC24_12_a_2ij_i_d:Ba-O-P-Ti +mp-15502,Ba4TiP4,-5.2067051292,-1.0706382621,0.0,-0.0264375324,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Ba-P-Ti,72.0,A4B4C_cP72_218_ei_ei_ac:Ba-P-Ti +mp-1228071,BaMgV2CuO8,-7.5091997592,-2.4815241062,0.0348767447,0.0348767447,GGA+U,Iba2,ABCD8E2_oI104_45_c_c_c_8c_abc:Ba-Cu-Mg-O-V,52.0,"Invalid WP multiplicities - ABCD8E2_oI104_45_c_c_c_18c_abc:Ba-Cu-Mg-O-V, expected BaMgV2CuO18 to be BaMgV2CuO8" +mp-1228514,BaMg2V6(Cu4O13)2,-7.0798351693,-1.9395902551,0.037031813,0.037031813,GGA+U,Pm,AB8C2D26E6_mP43_6_a_2a2b2c_ab_7a7b6c_3a3b:Ba-Cu-Mg-O-V,43.0,"Invalid WP multiplicities - AB8C2D26E6_mP43_6_a_2a2b3c_ab_7a7b9c_3a3b:Ba-Cu-Mg-O-V, expected BaMg2V6(Cu5O16)2 to be BaMg2V6(Cu4O13)2" +mp-866612,CsAsH6(CSe)2,-4.6451410042,-0.3651384219,0.0829667636,0.0829667636,GGA,C2/c,AB2CD6E2_mC48_15_e_f_e_3f_f:As-C-Cs-H-Se,24.0,"Invalid WP multiplicities - AB2CD6E2_mC48_15_e_f_e_8f_f:As-C-Cs-H-Se, expected CsAsH16(CSe)2 to be CsAsH6(CSe)2" +mp-31476,CsHC2,-5.3589883175,0.327376533,0.4550305548,0.4550305548,GGA,R3c,A2BC_hR72_161_2b_b_b:C-Cs-H,24.0,A2BC_hR72_161_2b_b_b:C-Cs-H +mp-1189817,CsNaC2,-4.9011795831,0.2676350795,0.2924510956,0.2924510956,GGA,Pbcm,A2BC_oP16_57_2d_d_c:C-Cs-Na,16.0,A2BC_oP16_57_2d_d_c:C-Cs-Na +mp-1246914,Na3AuN2,-3.8263822217,0.1593590667,0.4660563363,0.4660563363,GGA,I4_1/amd,AB2C3_tI48_141_e_h_eg:Au-N-Na,24.0,AB2C3_tI48_141_e_h_eg:Au-N-Na +mp-1065405,CsAuC2,-5.4824891625,0.1741646768,0.3278048087,0.3278048087,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Au-C-Cs,4.0,AB2C_tP4_123_a_g_d:Au-C-Cs +mp-567575,Cs2Na(C2N3)3,-7.6776289769,-0.2601969037,0.0380112075,0.0380112075,GGA,P6_3/m,A6B2C9D_hP36_176_i_f_hi_b:C-Cs-N-Na,36.0,"Invalid WP multiplicities - A6B2C9D_hP36_176_i_f_6h7i_b:C-Cs-N-Na, expected Cs2Na(CN10)6 to be Cs2Na(C2N3)3" +mp-571248,Cs2NaAu3(CN)6,-6.7706838553,-0.1970206029,0.0579874656,0.0579874656,GGA,P6_3/mmc,A3B6C2D6E_hP36_194_h_k_f_k_a:Au-C-Cs-N-Na,36.0,A3B6C2D6E_hP36_194_h_k_f_k_a:Au-C-Cs-N-Na +mp-10422,NaAuC2,-5.51091654,0.2525180296,0.4190212842,0.4190212842,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Au-C-Na,4.0,AB2C_tP4_123_a_g_d:Au-C-Na +mp-1517088,KLaZrCrO6,-8.325600342,-2.9328717,0.1896073073,0.1896073073,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Cr-K-La-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Cr-K-La-O-Zr +mp-1443145,Ba2YBi3O8,-6.66235773,-2.276686439,0.2080465967,0.2080465967,GGA,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Bi-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Bi-O-Y, expected Ba2YBi5O16 to be Ba2YBi3O8" +mp-1523166,Ba2YBiO6,-7.2033602995,-2.8208560604,0.0,-0.0864017497,GGA,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Y,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-Y +mp-23137,Ba2YBiO6,-7.200352765,-2.8178485259,0.0030075345,-0.0833942152,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-Y +mp-1522506,BaEuYBiO6,-8.056605944,-2.8402990189,0.0709641744,0.0709641744,GGA,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Bi-Eu-O-Y,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Bi-Eu-O-Y, expected BaEuYBiO12 to be BaEuYBiO6" +mp-1522617,BaEuYBiO6,-7.970343616,-2.7540366909,0.1572265024,0.1572265024,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Y,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-Y +mp-1181768,Cs2ZnH4,-2.7062492682,-0.3317560491,0.0,-0.070258643,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-H-Zn,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-H-Zn +mp-779742,Cs2ZnH12(SeO7)2,-5.2995211721,-1.4282719525,0.0,-0.0056828583,GGA,P2_1/c,A2B12C14D2E_mP62_14_e_6e_7e_e_a:Cs-H-O-Se-Zn,62.0,"Invalid WP multiplicities - A2B12C14D2E_mP62_14_e_21e_25e_e_a:Cs-H-O-Se-Zn, expected Cs2ZnH42(SeO25)2 to be Cs2ZnH12(SeO7)2" +mp-643702,Cs3ZnH5,-2.6283670794000003,-0.3050803071,0.0024192503,0.0024192503,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Cs-H-Zn,18.0,A3B5C_tI36_140_ah_cl_b:Cs-H-Zn +mp-1182193,K2NaTeO12,-4.6139637916,-0.4860329406,0.4899702761,0.4899702761,GGA,C2/m,A2BC12D_mC64_12_2i_i_g5i3j_i:K-Na-O-Te,32.0,A2BC12D_mC64_12_2i_i_g5i3j_i:K-Na-O-Te +mp-560739,K3Li3TeO6,-5.1791891462,-1.9575427152,0.0,-0.1165597512,GGA,Pnma,A3B3C6D_oP52_62_3c_cd_2c2d_c:K-Li-O-Te,52.0,"Invalid WP multiplicities - A3B3C6D_oP52_62_7c_4c4d_8c13d_c:K-Li-O-Te, expected K7Li12TeO34 to be K3Li3TeO6" +mp-557698,K4Na2TeO6,-4.8168295554,-1.7468230526,0.0,-0.1044127892,GGA,P2_1/c,A4B2C6D_mP26_14_2e_e_3e_a:K-Na-O-Te,26.0,"Invalid WP multiplicities - A4B2C6D_mP26_14_7e_e_9e_a:K-Na-O-Te, expected K14Na2TeO18 to be K4Na2TeO6" +mp-8754,NaLiTe,-3.2605672117,-1.1356491939,0.0,-0.0118019567,GGA,Pnma,ABC_oP12_62_c_c_c:Li-Na-Te,12.0,ABC_oP12_62_c_c_c:Li-Na-Te +mp-962066,NaLiTe,-2.9306932967,-0.8057752789,0.329873915,0.3180719583,GGA,F-43m,ABC_cF12_216_a_c_b:Li-Na-Te,3.0,ABC_cF12_216_a_c_b:Li-Na-Te +mp-4495,KLiTe,-3.2703996983,-1.2161904627,0.0,-0.0448013583,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Li-Te,6.0,ABC_tP6_129_c_a_c:K-Li-Te +mp-1223392,KNa5TeO6,-4.80284816,-1.6838894235,0.0874675342,0.0874675342,GGA,C2/c,AB5C6D_mC52_15_e_acef_3f_b:K-Na-O-Te,26.0,"Invalid WP multiplicities - AB5C6D_mC52_15_e_2a2c2e3f_11f_d:K-Na-O-Te, expected KNa12TeO22 to be KNa5TeO6" +mp-8755,KNaTe,-3.001768215,-1.1430248371,0.0,-0.02587542,GGA,Pnma,ABC_oP12_62_c_c_c:K-Na-Te,12.0,ABC_oP12_62_c_c_c:K-Na-Te +mp-1212335,K2LiTe2,-2.21622405,-0.1329575405,1.01668135,1.01668135,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Li-Te,5.0,A2BC2_tP5_123_g_a_g:K-Li-Te +mp-1182096,K7Na(TeO8)4,-4.6889144602,-0.5988558181,0.5456679999999999,0.5456679999999999,GGA,Immm,A7BC32D4_oI88_71_a2ej_c_2fl2m2o_m:K-Na-O-Te,44.0,A7BC32D4_oI88_71_a2ej_c_2fl2m2o_m:K-Na-O-Te +mp-1198435,K7Na(TeO8)4,-4.72631068,-0.6362520378000001,0.5082717802,0.5082717802,GGA,Immm,A7BC32D4_oI88_71_a2ej_c_2fl2m2o_m:K-Na-O-Te,44.0,A7BC32D4_oI88_71_a2ej_c_2fl2m2o_m:K-Na-O-Te +mp-559875,K3Na2LiTeO6,-4.9715511708,-1.8401197511,0.0,-0.0158536726,GGA,Cc,A3BC2D6E_mC52_9_3a_a_2a_6a_a:K-Li-Na-O-Te,26.0,"Invalid WP multiplicities - A3BC2D6E_mC52_9_6a_a_2a_11a_a:K-Li-Na-O-Te, expected K6Na2LiTeO11 to be K3Na2LiTeO6" +mp-1223600,KBa2SmBi2O9,-5.76576454,-1.6412237651,0.745391742,0.745391742,GGA,P-3m1,A2B2CD9E_hP15_164_d_d_b_ei_a:Ba-Bi-K-O-Sm,15.0,"Invalid WP multiplicities - A2B2CD9E_hP15_164_d_d_b_2e3i_a:Ba-Bi-K-O-Sm, expected KBa2Sm(BiO12)2 to be KBa2SmBi2O9" +mp-1519529,SrEuYCrO6,-8.677177719,-2.9025631086,0.2094759083,0.2094759083,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-Eu-O-Sr-Y +mp-771890,LiSnAsCO7,-6.8470743723,-1.8986107725,0.0626634582,0.0626634582,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Li-O-Sn,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:As-C-Li-O-Sn, expected LiSnAsCO13 to be LiSnAsCO7" +mp-1205507,Eu2MgWO6,-9.416302379,-2.9410477642,0.0,-0.017168735,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Mg-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Mg-O-W +mp-1518310,SrEuMgWO6,-8.577858455,-2.9593546749,0.005932299,0.005932299,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mg-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mg-O-Sr-W +mp-2230882,Eu6MgWO12,-9.8230000085,-3.0499657278,0.1049656635,0.0236504686,GGA+U,P1,A6BC12D_aP20_1_6a_a_12a_a:Eu-Mg-O-W,20.0,A6BC12D_aP20_1_6a_a_12a_a:Eu-Mg-O-W +mp-2230728,Eu6MgWO12,-9.927965672,-3.1549313912,0.0,-0.0813151949,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:Eu-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_148_f_a_7f_b:Eu-Mg-O-W, expected Eu6MgWO42 to be Eu6MgWO12" +mp-1520724,KNdZrFeO6,-7.924156533,-2.6665164843,0.1585914532,0.1585914532,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-Nd-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-Nd-O-Zr +mp-1190196,Er2CoTe2(SO7)2,-7.0643639248,-2.2997492156,0.0379958509,0.0379958509,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Er-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Er-O-S-Te +mp-567517,Er5(CoTe)2,-5.6512309006,-0.835470742,0.0,-0.0806808096,GGA,Cmcm,A2B5C2_oC36_63_2c_c2f_f:Co-Er-Te,18.0,"Invalid WP multiplicities - A2B5C2_oC36_63_2c_2c4f_f:Co-Er-Te, expected Er5CoTe to be Er5(CoTe)2" +mp-1079725,Er6CoTe2,-5.28054232,-0.7470709376,0.0,-0.0144768269,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Er-Te,9.0,AB6C2_hP9_189_a_fg_d:Co-Er-Te +mp-1225541,Er2TeS2,-6.24436251,-2.1340338606,0.0,-0.0096414536,GGA,Immm,A2B2C_oI10_71_f_e_a:Er-S-Te,5.0,A2B2C_oI10_71_f_e_a:Er-S-Te +mp-1521862,NaDySnWO6,-7.701095497,-2.4433808484,0.153645653,0.153645653,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Sn-W +mp-1016338,SrMg6Cd,-1.5083840606,0.0183738785,0.1193530084,0.1193530084,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Sr, expected SrMg12Cd to be SrMg6Cd" +mp-1016322,SrMg6Cd,-1.5129261,0.0138318392,0.114810969,0.114810969,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Sr, expected SrMg12Cd to be SrMg6Cd" +mp-1026583,SrMg14Cd,-1.5456895356,0.017829459,0.0815818874,0.0815818874,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Sr, expected SrMg18Cd to be SrMg14Cd" +mp-1026555,SrMg14Cd,-1.5374248338,0.0260941608,0.0898465892,0.0898465892,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Sr, expected SrMg26Cd to be SrMg14Cd" +mp-19014,Sr2CdWO6,-7.317636678,-2.6236227616,0.0,-0.0250489968,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Cd-O-Sr-W,20.0,AB6C2D_mP20_14_a_3e_e_b:Cd-O-Sr-W +mp-1179262,Sr2CdWO6,-7.236238485,-2.5422245686,0.081398193,0.0563491962,GGA+U,Pmm2,AB6C2D_oP20_25_ad_ef2g2h_ef_bc:Cd-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_oP20_25_ad_2ef4g4h_2e2f_bc:Cd-O-Sr-W, expected Sr4CdWO11 to be Sr2CdWO6" +mp-18888,Sr2CdWO6,-7.239375463,-2.5453615466,0.078261215,0.0532122182,GGA+U,Pmmn,AB6C2D_oP20_59_a_e2f_e_b:Cd-O-Sr-W,20.0,"Invalid WP multiplicities - AB6C2D_oP20_59_a_e3f_e_b:Cd-O-Sr-W, expected Sr2CdWO8 to be Sr2CdWO6" +mp-18757,Sr2CdWO6,-7.293767112,-2.5997531956,0.023869566,-0.0011794308,GGA+U,I4/m,AB6C2D_tI20_87_a_eh_d_b:Cd-O-Sr-W,10.0,AB6C2D_tI20_87_a_eh_d_b:Cd-O-Sr-W +mp-18903,Sr2CdWO6,-7.23604973,-2.5420358136,0.081586948,0.0565379512,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cd-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Cd-O-Sr-W +mp-2219635,MgCd2(WO4)2,-7.296521699999999,-1.9937655677,0.1113531665,0.1113531665,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Cd-Mg-O-W,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Cd-Mg-O-W +mp-2220104,MgCd2(WO4)2,-7.2945182231,-1.9917620908,0.1133566435,0.1133566435,GGA+U,P2,A2BC8D2_mP13_3_bd_a_4e_ac:Cd-Mg-O-W,13.0,A2BC8D2_mP13_3_bd_a_4e_ac:Cd-Mg-O-W +mp-2218299,MgCd2(WO4)2,-7.2242091285,-1.9214529962,0.1836657381,0.1836657381,GGA+U,P2,A2BC8D2_mP13_3_ac_a_4e_bd:Cd-Mg-O-W,13.0,A2BC8D2_mP13_3_ac_a_4e_bd:Cd-Mg-O-W +mp-1093736,Sr2MgCd,-0.320545145,1.1549940342,1.3527559169,1.3527559169,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Mg-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Mg-Sr +mp-1034512,SrMg14CdO16,-6.0833271322,-2.8282232793,0.1217541516,0.1217541516,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Sr, expected SrMg18CdO20 to be SrMg14CdO16" +mp-1034491,SrMg14CdO16,-6.0966000625,-2.8414962096,0.1084812213,0.1084812213,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Sr, expected SrMg30CdO32 to be SrMg14CdO16" +mp-1016638,Mg6CdW,-2.6733695419,0.2619679944,0.3137184781,0.3137184781,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-W, expected Mg12CdW to be Mg6CdW" +mp-1017021,Mg6CdW,-2.6636981212,0.271639415,0.3233898988,0.3233898988,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-W, expected Mg12CdW to be Mg6CdW" +mp-1095766,SrMgCd2,-0.29639084,0.9874974158,1.2537053365,1.2537053365,GGA,Immm,A2BC_oI8_71_e_a_b:Cd-Mg-Sr,4.0,A2BC_oI8_71_e_a_b:Cd-Mg-Sr +mp-1026459,Mg14CdW,-2.1337974369,0.1340113562,0.1736933898,0.1736933898,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-W, expected Mg18CdW to be Mg14CdW" +mp-1026476,Mg14CdW,-2.1456019131,0.12220688,0.1618889136,0.1618889136,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-W, expected Mg26CdW to be Mg14CdW" +mp-1038704,SrMg30CdO32,-6.2108820564,-2.9465879396,0.0554209255,0.0554209255,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Sr, expected SrMg90CdO80 to be SrMg30CdO32" +mp-1038630,SrMg30CdO32,-6.2164125872,-2.9521184704000003,0.0498903947,0.0498903947,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Sr, expected SrMg110CdO72 to be SrMg30CdO32" +mp-2215954,Sr2MgCdWO6,-6.70654489,-2.2937795069,0.4239715691,0.4239715691,GGA+U,Cm,ABC6D2E_mC22_8_a_a_4ab_b_a:Cd-Mg-O-Sr-W,11.0,ABC6D2E_mC22_8_a_a_4ab_b_a:Cd-Mg-O-Sr-W +mp-1033445,SrMg6CdO8,-5.8462598525,-2.6095365273,0.236378035,0.236378035,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Sr, expected SrMg6CdO12 to be SrMg6CdO8" +mp-1033462,SrMg6CdO8,-5.9035290825,-2.6668057573,0.179108805,0.179108805,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Sr, expected SrMg6CdO12 to be SrMg6CdO8" +mp-505697,Bi6P4PbO20,-7.0202925945,-2.2673065912,0.0,-0.0111581838,GGA,P-1,A6B20C4D_aP31_2_3i_10i_2i_a:Bi-O-P-Pb,31.0,A6B20C4D_aP31_2_3i_10i_2i_a:Bi-O-P-Pb +mp-759684,Na3Bi(P2O7)2,-6.865053893,-2.3780122114,0.0835590574,0.0835590574,GGA,P-1,AB3C14D4_aP44_2_i_3i_14i_4i:Bi-Na-O-P,44.0,"Invalid WP multiplicities - AB3C14D4_aP44_2_i_5i_27i_7i:Bi-Na-O-P, expected Na5BiP7O27 to be Na3Bi(P2O7)2" +mp-559583,BiP3Pb4O13,-6.9984434118,-2.2728273082,0.0238190637,0.0238190637,GGA,Pnma,AB13C3D4_oP84_62_c_3c5d_cd_2cd:Bi-O-P-Pb,84.0,"Invalid WP multiplicities - AB13C3D4_oP84_62_c_12c34d_3c4d_6c5d:Bi-O-P-Pb, expected BiP11(PbO5)16 to be BiP3Pb4O13" +mp-555933,Na2P2PbO7,-6.8428037908,-2.5252101534,0.0,-0.0014606843,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Na-O-P-Pb,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_14i_3i_i:Na-O-P-Pb, expected Na3P3PbO14 to be Na2P2PbO7" +mp-680322,Bi17P5Pb5O43,-6.5843356961,-1.9611117293,0.027042449,0.027042449,GGA,Cm,A17B43C5D5_mC140_8_5a6b_5a19b_a2b_3ab:Bi-O-P-Pb,70.0,"Invalid WP multiplicities - A17B43C5D5_mC140_8_5a12b_5a38b_a3b_3a2b:Bi-O-P-Pb, expected Bi29P7Pb7O81 to be Bi17P5Pb5O43" +mp-23621,NaBi(PO3)4,-7.330610064,-2.5430273426000003,0.0,-0.0087724513,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_15e_9e:Bi-Na-O-P, expected NaBi(P3O5)3 to be NaBi(PO3)4" +mp-1210446,Na3P6(PbO9)2,-7.0622423897,-2.4790326702,0.0556043497,0.0556043497,GGA,P-1,A3B18C6D2_aP29_2_ai_9i_3i_i:Na-O-P-Pb,29.0,A3B18C6D2_aP29_2_ai_9i_3i_i:Na-O-P-Pb +mp-1323652,Na3P6(PbO9)2,-3.4991746624,1.084035057,3.6186720769,3.6186720769,GGA,P-1,A3B18C6D2_aP29_2_ai_9i_3i_i:Na-O-P-Pb,29.0,A3B18C6D2_aP29_2_ai_9i_3i_i:Na-O-P-Pb +mp-581609,BiP(PbO2)4,-6.4555473739,-1.9071266877,0.0007480208,0.0007480208,GGA,P-1,AB8CD4_aP28_2_i_8i_i_4i:Bi-O-P-Pb,28.0,"Invalid WP multiplicities - AB8CD4_aP28_2_i_15i_i_6i:Bi-O-P-Pb, expected BiP(Pb2O5)3 to be BiP(PbO2)4" +mp-690977,NaP3(PbO3)4,-6.9641878038,-2.3755235223,0.0,-0.014090161,GGA,P6_3,AB12C3D4_hP40_173_b_4c_c_bc:Na-O-P-Pb,40.0,"Invalid WP multiplicities - AB12C3D4_hP40_173_b_22c_c_2b3c:Na-O-P-Pb, expected NaP3(PbO6)11 to be NaP3(PbO3)4" +mp-1210272,NaP3PbO9,-7.2279417873,-2.5282790527,0.0148652244,0.0148652244,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Na-O-P-Pb,56.0,AB9C3D_oP56_19_a_9a_3a_a:Na-O-P-Pb +mp-1214442,Bi2P3(PbO4)3,-6.7709609793,-2.050006403,0.1955875095,0.1955875095,GGA,P6_3/m,A2B12C3D3_hP40_176_f_2hi_h_h:Bi-O-P-Pb,40.0,A2B12C3D3_hP40_176_f_2hi_h_h:Bi-O-P-Pb +mp-1227709,BiP3(PbO4)3,-7.1310779287,-2.3637830658,0.0,-0.0007490103,GGA,Cc,AB12C3D3_mC76_9_a_12a_3a_3a:Bi-O-P-Pb,38.0,"Invalid WP multiplicities - AB12C3D3_mC76_9_a_24a_5a_6a:Bi-O-P-Pb, expected BiP5(PbO4)6 to be BiP3(PbO4)3" +mp-560624,Na5Bi(P2O7)2,-6.792071525,-2.5687395424,0.0027573248,0.0027573248,GGA,P-1,AB5C14D4_aP48_2_i_5i_14i_4i:Bi-Na-O-P,48.0,"Invalid WP multiplicities - AB5C14D4_aP48_2_i_10i_27i_6i:Bi-Na-O-P, expected Na10Bi(P2O9)3 to be Na5Bi(P2O7)2" +mp-561083,Na3Bi(PO4)2,-6.6674118228,-2.5096847004,0.0,-0.0222701193,GGA,P2_1/c,AB3C8D2_mP112_14_2e_6e_16e_4e:Bi-Na-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_mP112_14_4e_22e_61e_14e:Bi-Na-O-P, expected Na22Bi4P14O61 to be Na3Bi(PO4)2" +mp-556878,BiPPbO5,-6.9450235975000005,-2.2325383146,0.0,-0.0073209042,GGA,P-1,AB5CD_aP16_2_i_5i_i_i:Bi-O-P-Pb,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_10i_i_i:Bi-O-P-Pb, expected BiPPbO10 to be BiPPbO5" +mp-1221184,Na4P6PbO18,-7.0946552338,-2.5938635067,0.0002815978,0.0002815978,GGA,P1,A4B18C6D_aP29_1_4a_18a_6a_a:Na-O-P-Pb,29.0,A4B18C6D_aP29_1_4a_18a_6a_a:Na-O-P-Pb +mp-1369163,Na4P6PbO18,-2.0872289903,2.4135627368,5.0077078412,5.0077078412,GGA,P1,A4B18C6D_aP29_1_4a_18a_6a_a:Na-O-P-Pb,29.0,A4B18C6D_aP29_1_4a_18a_6a_a:Na-O-P-Pb +mp-642320,Bi32P10Pb3O76,-6.7003973596,-2.0382902481,0.0108179325,0.0108179325,GGA,C2,A32B76C10D3_mC242_5_2a15c_38c_5c_ac:Bi-O-P-Pb,121.0,"Invalid WP multiplicities - A32B76C10D3_mC242_5_2a27c_76c_7c_ac:Bi-O-P-Pb, expected Bi56P14Pb3O152 to be Bi32P10Pb3O76" +mp-1188229,BiPPb2,-4.0113791831,0.158392261,0.1594984694,0.1594984694,GGA,Pnma,ABC2_oP16_62_c_c_d:Bi-P-Pb,16.0,ABC2_oP16_62_c_c_d:Bi-P-Pb +mp-695154,Na7Bi3P12(Pb5O24)2,-6.9110980813000005,-2.4072692892,0.0086322667,0.0086322667,GGA,P1,A3B7C48D12E10_aP80_1_3a_7a_48a_12a_10a:Bi-Na-O-P-Pb,80.0,A3B7C48D12E10_aP80_1_3a_7a_48a_12a_10a:Bi-Na-O-P-Pb +mp-686311,Na7Bi3P12(Pb5O24)2,-6.9121519531,-2.4083231611,0.0075783948,0.0075783948,GGA,P1,A3B7C48D12E10_aP80_1_3a_7a_48a_12a_10a:Bi-Na-O-P-Pb,80.0,A3B7C48D12E10_aP80_1_3a_7a_48a_12a_10a:Bi-Na-O-P-Pb +mp-17508,K2Nb4Fe2O13,-8.5825976595,-2.6838827205,0.0,-0.0030941523,GGA+U,C2/m,A2B2C4D13_mC42_12_i_i_2i_a6i:Fe-K-Nb-O,21.0,"Invalid WP multiplicities - A2B2C4D13_mC42_12_i_i_4i_a7i:Fe-K-Nb-O, expected K2Nb8Fe2O15 to be K2Nb4Fe2O13" +mp-1223530,KSr2Nb4FeO15,-8.31677675,-2.7704742329,0.0931996516,0.0931996516,GGA+U,P4bm,ABC4D15E2_tP46_100_b_a_d_bc3d_c:Fe-K-Nb-O-Sr,46.0,ABC4D15E2_tP46_100_b_a_d_bc3d_c:Fe-K-Nb-O-Sr +mp-1344248,CaCr2(P2O7)2,-8.0233481929,-2.6796078688,0.0867566172,0.0867566172,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Cr-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Ca-Cr-O-P +mp-559196,CaCr2(PO4)2,-8.2712653483,-2.754972308,0.0033044066,0.0033044066,GGA+U,C2/c,AB2C8D2_mC104_15_f_cef_8f_2f:Ca-Cr-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Ca-Cr-O-P, expected Ca2Cr7(PO5)12 to be CaCr2(PO4)2" +mp-1044241,CaCr2(PO5)2,-8.0405218037,-2.6001760073,0.0341699012,0.0341699012,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Cr-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Cr-O-P, expected CaCr2(PO18)2 to be CaCr2(PO5)2" +mp-1040889,CaCr2P2O9,-8.292206472,-2.8165994552,0.0,-0.0140673573,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Cr-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Ca-Cr-O-P, expected CaCr2P2O11 to be CaCr2P2O9" +mp-1040822,CaCr3(P2O7)2,-8.2119504811,-2.6723325596,0.0263521076,0.0263521076,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Cr-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Cr-O-P +mp-1045839,CaCr(PO3)4,-7.9104809903,-2.762029773,0.0121848133,0.0121848133,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Cr-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Cr-O-P +mp-1233529,CaCr4(PO4)4,-8.2389449892,-2.5822242225,0.1059197787,0.1059197787,GGA+U,P1,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Cr-O-P,25.0,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Cr-O-P +mp-1233730,CaCr4(PO4)4,-8.2572165504,-2.6004957837,0.0876482175,0.0876482175,GGA+U,P1,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Cr-O-P,25.0,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Cr-O-P +mp-1334592,Ca8Cr(PO4)7,-7.6950429036,-3.1019009043,0.0401197041,0.0401197041,GGA+U,Cc,A8BC28D7_mC176_9_8a_a_28a_7a:Ca-Cr-O-P,88.0,"Invalid WP multiplicities - A8BC28D7_mC176_9_14a_a_56a_12a:Ca-Cr-O-P, expected Ca14Cr(P3O14)4 to be Ca8Cr(PO4)7" +mp-557821,Ca3Cr3(PO4)4,-8.1341973994,-2.9120369588,0.0,-0.0100037163,GGA+U,P-1,A3B3C16D4_aP52_2_3i_3i_16i_4i:Ca-Cr-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_aP52_2_5i_6i_30i_6i:Ca-Cr-O-P, expected Ca5Cr6(PO5)6 to be Ca3Cr3(PO4)4" +mp-560257,Ca9Cr(PO4)7,-7.7841196833,-3.24847862,0.0,-0.0147750623,GGA+U,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Cr-O-P,90.0,"Invalid WP multiplicities - A9BC28D7_hR270_161_13b_a_2a48b_2a5b:Ca-Cr-O-P, expected Ca39CrP17O146 to be Ca9Cr(PO4)7" +mp-19134,CaCrP2O7,-8.0647207602,-2.8727140928,0.0,-0.0030863997,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cr-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cr-O-P +mp-1340229,CaCrP2O7,-8.0613634659,-2.8693567984,0.0033572943,0.0002708947,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cr-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Cr-O-P +mp-1048535,CaCrP2O7,-8.0324802866,-2.8404736191,0.0322404736,0.029154074,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Cr-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Cr-O-P, expected CaCrP7O23 to be CaCrP2O7" +mp-1047869,CaCr3P3O13,-8.3067717553,-2.7311916024,0.0196427401,0.0196427401,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Cr-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Cr-O-P, expected CaCr5P3O34 to be CaCr3P3O13" +mp-1046446,SrCaCr(PO4)2,-7.93925357,-3.0355416079,0.0172479412,0.0172479412,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Cr-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Cr-O-P-Sr, expected SrCaCr(PO7)2 to be SrCaCr(PO4)2" +mp-17599,CaCu3(GeO3)4,-6.4354173395,-1.8276375473,0.0936752182,0.0936752182,GGA,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ge-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ca-Cu-Ge-O +mp-1197254,CaCuGe,-4.0452825708,-0.4693377692,0.0006959558,-0.0284085175,GGA,Pna2_1,ABC_oP36_33_3a_3a_3a:Ca-Cu-Ge,36.0,ABC_oP36_62_3c_3c_3c:Ca-Cu-Ge +mp-21779,CaCuGe,-4.0459785267,-0.470033725,0.0,-0.0291044733,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Ca-Cu-Ge,36.0,ABC_oP36_62_3c_3c_3c:Ca-Cu-Ge +mp-1227245,CaCuGe,-4.02365208,-0.4477072783,0.0223264467,-0.0067780267,GGA,P-6m2,ABC_hP3_187_b_c_e:Ca-Cu-Ge,3.0,ABC_hP3_187_b_c_e:Ca-Cu-Ge +mp-6537,CaCu(GeO3)2,-6.6600641172,-2.1569646645,0.042896637,0.042896637,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ca-Cu-Ge-O,40.0,ABC2D6_mP40_14_e_e_2e_6e:Ca-Cu-Ge-O +mp-6297,CaCu(GeO3)2,-6.648581143,-2.1454816903,0.0543796112,0.0543796112,GGA,C2/c,ABC2D6_mC40_15_e_e_f_3f:Ca-Cu-Ge-O,20.0,ABC2D6_mC40_15_e_e_f_3f:Ca-Cu-Ge-O +mp-4441,Ca(CuGe)2,-4.263347752,-0.373333966,0.0,-0.083991968,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Cu-Ge,5.0,AB2C2_tI10_139_a_d_e:Ca-Cu-Ge +mp-1201655,CaCuGeH2O5,-6.1676230908,-1.9429500856,0.0057249992,0.0057249992,GGA,P2_1/c,ABCD2E5_mP40_14_e_ad_e_2e_5e:Ca-Cu-Ge-H-O,40.0,ABCD2E5_mP40_14_e_ab_e_2e_5e:Ca-Cu-Ge-H-O +mp-1329647,Ca3Cu2(GeO4)3,-6.6125065956,-2.2402785416,0.0518347151,0.0518347151,GGA,Ia-3d,A3B2C3D12_cI160_230_c_a_d_h:Ca-Cu-Ge-O,80.0,A3B2C3D12_cI160_230_c_a_d_h:Ca-Cu-Ge-O +mp-1360682,CaCu2(GeO3)4,-6.4748725726,-1.8403257739,0.1036284731,0.1036284731,GGA,P2_1,AB2C4D12_mP38_4_a_2a_4a_12a:Ca-Cu-Ge-O,38.0,AB2C4D12_mP38_4_a_2a_4a_12a:Ca-Cu-Ge-O +mp-1368855,CaCu2(GeO3)4,-6.4877757932,-1.8532289945,0.0907252526,0.0907252526,GGA,C2,AB2C4D12_mC38_5_a_ab_2c_6c:Ca-Cu-Ge-O,19.0,AB2C4D12_mC38_5_a_ab_2c_6c:Ca-Cu-Ge-O +mp-726397,Mn2Si(H2O3)2,-7.132165076,-1.978289302,0.0107504675,0.0107504675,GGA+U,Pca2_1,A4B2C6D_oP52_29_4a_2a_6a_a:H-Mn-O-Si,52.0,A4B2C6D_oP52_29_4a_2a_6a_a:H-Mn-O-Si +mp-1218288,SrMn2Si2(H2O5)2,-7.2815190721,-2.3393111042,0.0186598159,0.0186598159,GGA+U,P2_1/m,A4B2C10D2E_mP38_11_2f_ad_2e4f_f_e:H-Mn-O-Si-Sr,38.0,"Invalid WP multiplicities - A4B2C10D2E_mP38_11_2f_2a2c_2e10f_f_e:H-Mn-O-Si-Sr, expected SrMn4Si2(H2O11)2 to be SrMn2Si2(H2O5)2" +mp-1519497,KSrNdMnO6,-6.972539702,-2.3315209628,0.1742245054,0.1742245054,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:K-Mn-Nd-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_2a2b_e_f_6m_cd:K-Mn-Nd-O-Sr, expected K2SrNdMnO12 to be KSrNdMnO6" +mp-1519756,KSrNdMnO6,-6.967047175,-2.3260284358,0.1797170324,0.1797170324,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:K-Mn-Nd-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:K-Mn-Nd-O-Sr +mp-1204347,Cs7Mo8AsO30,-7.4537341829,-2.1038907649,0.0,-0.0004844811,GGA+U,Ibca,AB7C8D30_oI368_73_c_ac2def_4f_15f:As-Cs-Mo-O,184.0,AB7C8D30_oI368_73_c_ac2def_4f_15f:As-Cs-Mo-O +mp-1205190,CsMoAsH2O7,-6.6132227233,-1.7955190603000002,0.0,-0.0007402559,GGA+U,P-1,ABC2DE7_aP48_2_2i_2i_4i_2i_14i:As-Cs-H-Mo-O,48.0,ABC2DE7_aP48_2_2i_2i_4i_2i_14i:As-Cs-H-Mo-O +mp-707840,Na2Si(H5O4)2,-5.5704620993,-1.6861221585,0.0010251587,0.0010251587,GGA,P-1,A10B2C8D_aP42_2_10i_2i_8i_i:H-Na-O-Si,42.0,A10B2C8D_aP42_2_10i_2i_8i_i:H-Na-O-Si +mp-707333,Na3SiH3O5,-5.7597103275,-2.0676673607,0.0035318778,0.0035318778,GGA,P2_1/c,A3B3C5D_mP48_14_3e_3e_5e_e:H-Na-O-Si,48.0,A3B3C5D_mP48_14_3e_3e_5e_e:H-Na-O-Si +mp-707571,Na3SiH11O9,-5.4678933068,-1.6665150232,0.011330974,0.011330974,GGA,Pbca,A11B3C9D_oP192_61_11c_3c_9c_c:H-Na-O-Si,192.0,A11B3C9D_oP192_61_11c_3c_9c_c:H-Na-O-Si +mp-698025,Na2Si3(HO4)2,-7.0011869752,-2.6491892114,0.0035371785,0.0035371785,GGA,P2_1/c,A2B2C8D3_mP60_14_2e_2e_8e_3e:H-Na-O-Si,60.0,A2B2C8D3_mP60_14_2e_2e_8e_3e:H-Na-O-Si +mp-703468,Na3SiH5O6,-5.6427681503,-1.9069910567,0.0070294676,0.0070294676,GGA,Pbca,A5B3C6D_oP120_61_5c_3c_6c_c:H-Na-O-Si,120.0,A5B3C6D_oP120_61_5c_3c_6c_c:H-Na-O-Si +mp-721564,Na3SiH5O6,-5.6345693012,-1.8987922077,0.0152283166,0.0152283166,GGA,Pbca,A5B3C6D_oP120_61_5c_3c_6c_c:H-Na-O-Si,120.0,A5B3C6D_oP120_61_5c_3c_6c_c:H-Na-O-Si +mp-722977,Na2Si(H3O2)6,-5.4208602972,-1.5269299347,0.0129107291,0.0129107291,GGA,Ibca,A18B2C12D_oI264_73_9f_f_6f_c:H-Na-O-Si,132.0,A18B2C12D_oI264_73_9f_f_6f_c:H-Na-O-Si +mp-24369,Na2Si(H4O3)3,-5.512928735,-1.6252920867,0.0112185683,0.0112185683,GGA,P2_1,A12B2C9D_mP48_4_12a_2a_9a_a:H-Na-O-Si,48.0,"Invalid WP multiplicities - A12B2C9D_mP48_4_14a_2a_12a_a:H-Na-O-Si, expected Na2Si(H7O6)2 to be Na2Si(H4O3)3" +mp-1199706,Na4Si4H18O19,-5.9645513441,-1.9190507303,0.0119877939,0.0119877939,GGA,P2_1/c,A18B4C19D4_mP180_14_18e_4e_19e_4e:H-Na-O-Si,180.0,A18B4C19D4_mP180_14_18e_4e_19e_4e:H-Na-O-Si +mp-1221121,NaSi2H7O8,-6.1892845936,-1.9950760737,0.0235896064,0.0235896064,GGA,Pca2_1,A7BC8D2_oP72_29_7a_a_8a_2a:H-Na-O-Si,72.0,"Invalid WP multiplicities - A7BC8D2_oP72_29_10a_a_11a_3a:H-Na-O-Si, expected NaSi3H10O11 to be NaSi2H7O8" +mp-699219,NaZnSiHO4,-6.2388387791,-2.3404553011,0.0,-0.0038512314,GGA,P2_12_12_1,ABC4DE_oP32_19_a_a_4a_a_a:H-Na-O-Si-Zn,32.0,ABC4DE_oP32_19_a_a_4a_a_a:H-Na-O-Si-Zn +mp-1197746,NaSi8H7O20,-7.2446286533,-2.5944084846,0.0489403999999999,0.0489403999999999,GGA,P1,A7BC20D8_aP144_1_28a_4a_80a_32a:H-Na-O-Si,144.0,A7BC20D8_aP144_1_28a_4a_80a_32a:H-Na-O-Si +mp-504605,Na2SiH16O11,-5.4470261087,-1.5547740701,0.0108452581,0.0108452581,GGA,P2_1/c,A16B2C11D_mP120_14_16e_2e_11e_e:H-Na-O-Si,120.0,A16B2C11D_mP120_14_16e_2e_11e_e:H-Na-O-Si +mp-697027,NaSi2(HO2)3,-6.7214348877,-2.385478908,0.0014926019,0.0014926019,GGA,Fdd2,A3BC6D2_oF192_43_3b_b_6b_2b:H-Na-O-Si,48.0,A3BC6D2_oF192_43_3b_b_6b_2b:H-Na-O-Si +mp-556310,LiAlS3(Cl2O3)2,-5.4410837652,-1.7652086182,0.0305934356,0.0305934356,GGA,Pnma,AB4CD6E3_oP60_62_c_2cd_c_2c2d_cd:Al-Cl-Li-O-S,60.0,"Invalid WP multiplicities - AB4CD6E3_oP60_62_c_7c6d_c_7c11d_2c3d:Al-Cl-Li-O-S, expected LiAlS8Cl19O29 to be LiAlS3(Cl2O3)2" +mp-556418,AlSCl3O2,-5.1639165114,-1.8323432115,0.0,-0.0038527658,GGA,P-1,AB3C2D_aP14_2_i_3i_2i_i:Al-Cl-O-S,14.0,"Invalid WP multiplicities - AB3C2D_aP14_2_i_6i_3i_i:Al-Cl-O-S, expected AlS(Cl2O)3 to be AlSCl3O2" +mp-647812,Cr(CO)6,-8.1542843617,-0.8692710777,0.5052057994,0.5052057994,GGA+U,Pnma,A6BC6_oP52_62_2c2d_c_2c2d:C-Cr-O,52.0,A6BC6_oP52_62_2c2d_c_2c2d:C-Cr-O +mp-683501,Cr(CO)6,-7.52053875,-0.235525466,1.1389514111,1.1389514111,GGA+U,Pnma,A6BC6_oP52_62_2c2d_c_2c2d:C-Cr-O,52.0,"Invalid WP multiplicities - A6BC6_oP52_62_8c11d_c_6c10d:C-Cr-O, expected Cr(C15O13)2 to be Cr(CO)6" +mp-1200737,CrC32O5,-7.8426686026,0.8337468391,1.2340806155,1.2340806155,GGA+U,P2_1/c,A32BC5_mP152_14_32e_e_5e:C-Cr-O,152.0,A32BC5_mP152_14_32e_e_5e:C-Cr-O +mp-1198466,Cr(C7O2)3,-7.7539839335,0.5722716051,1.2104215837,1.2104215837,GGA+U,P2_1/c,A21BC6_mP112_14_21e_e_6e:C-Cr-O,112.0,A21BC6_mP112_14_21e_e_6e:C-Cr-O +mp-771013,Na3CrSiCO7,-7.2561720246,-2.4176006514,0.0028069222,0.0028069222,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Na-O-Si,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Na-O-Si +mp-1224423,Na3CrC6O17,-6.5900711797,-0.9202073132,0.9109872058,0.9109872058,GGA+U,Cc,A6BC3D17_mC216_9_12a_2a_6a_34a:C-Cr-Na-O,108.0,A6BC3D17_mC216_9_12a_2a_6a_34a:C-Cr-Na-O +mp-1182495,Cr(C5O2)2,-7.496614463,0.6184826863,1.4556271935,1.4556271935,GGA+U,P-1,A10BC4_aP60_2_20i_2i_8i:C-Cr-O,60.0,A10BC4_aP60_2_20i_2i_8i:C-Cr-O +mp-772121,Na2CrSiCO7,-7.4623123204,-2.3307371072,0.0416469134,0.0416469134,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-Si,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-Si +mp-1181303,FeSb(ClO)8,-3.6131233283,0.1069225283,0.9290678103,0.9290678103,GGA+U,P1,A8BC8D_aP18_1_8a_a_8a_a:Cl-Fe-O-Sb,18.0,A8BC8D_aP18_1_8a_a_8a_a:Cl-Fe-O-Sb +mp-1189473,FeSb(ClO)8,-3.2900286522,0.4300172044,1.2521624865,1.2521624865,GGA+U,P4/mmm,A8BC8D_tP18_123_ghj_b_im_c:Cl-Fe-O-Sb,18.0,A8BC8D_tP18_123_ghj_b_im_c:Cl-Fe-O-Sb +mp-540760,FePCl8,-4.071397607,-1.2042359073,0.0,-0.0869455799,GGA,Pbcm,A8BC_oP40_57_2d3e_d_c:Cl-Fe-P,40.0,A8BC_oP40_57_2d3e_d_c:Cl-Fe-P +mp-1643291,Fe2PClO4,-7.6155293281,-2.1169497742,0.0003456697,-0.0395327059,GGA+U,P-1,AB2C4D_aP32_2_2i_bd3i_8i_2i:Cl-Fe-O-P,32.0,"Invalid WP multiplicities - AB2C4D_aP32_2_3i_bd4i_14i_4i:Cl-Fe-O-P, expected Fe5P4Cl3O14 to be Fe2PClO4" +mp-556581,Fe2PClO4,-7.6158749978,-2.1172954439,0.0,-0.0398783756,GGA+U,C2/c,AB2C4D_mC64_15_f_aef_4f_f:Cl-Fe-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mC64_15_f_ce2f_4f_f:Cl-Fe-O-P, expected Fe3PClO4 to be Fe2PClO4" +mp-23574,SbPCl8O,-4.0384180611,-1.3768466304,0.0,-0.0230414641,GGA,Pnma,A8BCD_oP44_62_4c2d_c_c_c:Cl-O-P-Sb,44.0,"Invalid WP multiplicities - A8BCD_oP44_62_4c3d_c_c_c:Cl-O-P-Sb, expected SbPCl10O to be SbPCl8O" +mp-1200389,Fe7Sb3P3(ClO6)3,-7.37496061,-2.0072233602,0.0148296428,0.0148296428,GGA+U,Pnma,A3B7C18D3E3_oP136_62_cd_c3d_2c8d_cd_cd:Cl-Fe-O-P-Sb,136.0,A3B7C18D3E3_oP136_62_cd_c3d_2c8d_cd_cd:Cl-Fe-O-P-Sb +mp-554847,SbP(Cl3O)2,-4.6151245172,-1.5624344043,0.0,-0.024758963,GGA,P2_1/c,A6B2CD_mP40_14_6e_2e_e_e:Cl-O-P-Sb,40.0,"Invalid WP multiplicities - A6B2CD_mP40_14_19e_6e_e_e:Cl-O-P-Sb, expected SbPCl19O6 to be SbP(Cl3O)2" +mp-1201515,Fe7Sb10(Cl4O9)2,-6.4040931663,-1.6503989581,0.0,-0.0620465412,GGA+U,P-1,A8B7C18D10_aP43_2_4i_a3i_9i_5i:Cl-Fe-O-Sb,43.0,A8B7C18D10_aP43_2_4i_a3i_9i_5i:Cl-Fe-O-Sb +mp-1522574,SrMnInWO6,-7.820092667,-2.1959471697,0.1903596947,0.1903596947,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:In-Mn-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:In-Mn-O-Sr-W +mp-1048650,Sr4CaCo2(SO3)2,-6.3378001787,-2.275584093,0.1969854174,0.1969854174,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Co-O-S-Sr,15.0,"Invalid WP multiplicities - AB2C6D2E4_tP15_115_a_g_e2fg_g_2g:Ca-Co-O-S-Sr, expected Sr4CaCo2(SO4)2 to be Sr4CaCo2(SO3)2" +mp-1048637,Sr3CaCo2S2O5,-6.2991463123,-2.1224494569,0.2570189024,0.2570189024,GGA+U,I-4m2,AB2C5D2E3_tI26_119_c_e_a2f_e_be:Ca-Co-O-S-Sr,13.0,"Invalid WP multiplicities - AB2C5D2E3_tI26_119_c_e_a3f_e_be:Ca-Co-O-S-Sr, expected Sr3CaCo2S2O7 to be Sr3CaCo2S2O5" +mp-1402635,Ca(CoS2)4,-5.7507175515,-0.8637583212000001,0.1004307077,0.1004307077,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Co-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Co-S, expected Ca(Co2S7)2 to be Ca(CoS2)4" +mp-1410408,Ca(CoS2)4,-5.72191041,-0.8349511796,0.1292378492,0.1292378492,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Ca-Co-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Ca-Co-S, expected Ca(Co2S7)2 to be Ca(CoS2)4" +mp-1046608,Sr3Co2S2O5,-6.1744235167,-1.8168019133,0.443933444,0.443933444,GGA+U,I4/mmm,A2B5C2D3_tI24_139_e_ag_e_be:Co-O-S-Sr,12.0,A2B5C2D3_tI24_139_e_ag_e_be:Co-O-S-Sr +mp-1344076,CaCo2S5,-5.4242245106,-0.8111639101,0.3082691144,0.3082691144,GGA,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Co-S,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Co-S +mp-1046632,Sr2CoSO3,-6.2664196086,-2.0573023654,0.3201460827,0.3201460827,GGA+U,P4/nmm,AB3CD2_tP14_129_c_cf_c_2c:Co-O-S-Sr,14.0,AB3CD2_tP14_129_c_cf_c_2c:Co-O-S-Sr +mp-1394893,Ca(CoS2)2,-5.6485322,-0.9673843518,0.2295954057,0.2295954057,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Co-S,14.0,AB2C4_tI28_141_a_d_h:Ca-Co-S +mp-1408976,Ca(CoS2)2,-5.6495363914,-0.9683885432,0.2285912143,0.2285912143,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Co-S,14.0,AB2C4_cF56_227_a_d_e:Ca-Co-S +mp-849779,LiSi6BiO14,-7.9043089125,-3.0154469973,0.0300739763,0.0300739763,GGA,Ibam,ABC14D6_oI176_72_f_ad_2j6k_2j2k:Bi-Li-O-Si,88.0,"Invalid WP multiplicities - ABC14D6_oI176_72_f_ad_7j20k_6j3k:Bi-Li-O-Si, expected LiSi12BiO47 to be LiSi6BiO14" +mp-768798,Li3Bi2(BO3)3,-6.9734138691,-2.3871714824,0.0376043719,0.0376043719,GGA,P2_1/c,A3B2C3D9_mP68_14_3e_2e_3e_9e:B-Bi-Li-O,68.0,"Invalid WP multiplicities - A3B2C3D9_mP68_14_11e_7e_7e_35e:B-Bi-Li-O, expected Li7Bi7B11O35 to be Li3Bi2(BO3)3" +mp-768738,Li3Bi(BO3)2,-6.8079908254,-2.4241430305,0.0463477023,0.0404909873,GGA,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Bi-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Bi-Li-O, expected Li5BiB3O11 to be Li3Bi(BO3)2" +mp-768797,Li3Bi(BO3)2,-6.7799182642,-2.3960704692,0.0744202635,0.0685635485,GGA,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Bi-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Bi-Li-O, expected Li5BiB3O11 to be Li3Bi(BO3)2" +mp-777851,Li3Bi(BO3)2,-6.7792187912,-2.3953709963,0.0751197365,0.0692630215,GGA,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Bi-Li-O,24.0,"Invalid WP multiplicities - A2BC3D6_aP24_2_3i_i_5i_11i:B-Bi-Li-O, expected Li5BiB3O11 to be Li3Bi(BO3)2" +mp-768788,Li3Bi(BO3)2,-6.7811020821,-2.3972542872,0.0732364456,0.0673797306,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Bi-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_5e_e_9e_21e:B-Bi-Li-O, expected Li9BiB5O21 to be Li3Bi(BO3)2" +mp-768809,Li3Bi(BO3)2,-6.7785939985,-2.3947462036,0.0757445292,0.0698878142,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Bi-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_9e_21e:B-Bi-Li-O, expected Li9Bi(BO3)7 to be Li3Bi(BO3)2" +mp-768820,Li3Bi(BO3)2,-6.8543385277,-2.4704907328,0.0,-0.005856715,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Bi-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_3e_e_11e_19e:B-Bi-Li-O, expected Li11BiB3O19 to be Li3Bi(BO3)2" +mp-768771,Li3Bi(BO3)2,-6.8144811529,-2.430633358,0.0398573748,0.0340006598,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Bi-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_21e:B-Bi-Li-O, expected Li11Bi(BO3)7 to be Li3Bi(BO3)2" +mp-757159,LiSiBiO4,-6.8792212389,-2.4561519715,0.0974710477,0.0974710477,GGA,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Bi-Li-O-Si,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Bi-Li-O-Si +mp-766176,LiSiBiO4,-6.9491425382,-2.5260732708,0.0275497485,0.0275497485,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-863408,LiSiBiO4,-6.9077673173,-2.4846980499,0.0689249694,0.0689249694,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Bi-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Bi-Li-O-Si, expected Li9Si9Bi9O47 to be LiSiBiO4" +mp-757219,LiSiBiO4,-6.8836097489,-2.4605404815,0.0930825377,0.0930825377,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-757383,LiSiBiO4,-6.8921136732,-2.4690444058,0.0845786135,0.0845786135,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Bi-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Bi-Li-O-Si, expected Li5Si5Bi5O29 to be LiSiBiO4" +mp-1176587,LiSiBiO4,-6.9005950657,-2.4775257983,0.076097221,0.076097221,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Bi-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Bi-Li-O-Si, expected Li5Si5Bi5O29 to be LiSiBiO4" +mp-1266684,LiSiBiO4,-6.9029620325,-2.4798927651,0.0737302542,0.0737302542,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Bi-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Bi-Li-O-Si, expected Li5Si5Bi5O29 to be LiSiBiO4" +mp-757349,LiSiBiO4,-6.8840662157,-2.4609969483,0.092626071,0.092626071,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-757541,LiSiBiO4,-6.8849164152,-2.4618471479,0.0917758714,0.0917758714,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Bi-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_8a_46a_9a:Bi-Li-O-Si, expected Li8Si9Bi9O46 to be LiSiBiO4" +mp-757874,LiSiBiO4,-6.9496260505,-2.5265567832,0.0270662361,0.0270662361,GGA,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Bi-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Bi-Li-O-Si, expected Li5Si5Bi5O29 to be LiSiBiO4" +mp-757890,LiSiBiO4,-6.9296078667,-2.5065385993,0.04708442,0.04708442,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Bi-Li-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_8a_9a_46a_9a:Bi-Li-O-Si, expected Li9Si9(Bi4O23)2 to be LiSiBiO4" +mp-757038,LiSiBiO4,-6.949017485,-2.5259482176,0.0276748017,0.0276748017,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-766350,LiSiBiO4,-6.8893134718,-2.4662442044,0.0873788149,0.0873788149,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-772109,LiSiBiO4,-6.9265569929,-2.5034877255,0.0501352938,0.0501352938,GGA,Pbcn,ABC4D_oP28_60_c_c_2d_c:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_60_c_c_5d_c:Bi-Li-O-Si, expected LiSiBiO10 to be LiSiBiO4" +mp-752501,LiSiBiO4,-6.9355378389,-2.5124685715,0.0411544477,0.0411544477,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c2d_c:Bi-Li-O-Si, expected LiSiBiO11 to be LiSiBiO4" +mp-753327,LiSiBiO4,-6.9561405207,-2.5330712533,0.020551766,0.020551766,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Bi-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c4d_c:Bi-Li-O-Si, expected LiSiBiO13 to be LiSiBiO4" +mp-766196,LiSiBiO4,-6.9101219119,-2.4870526445,0.0665703748,0.0665703748,GGA,R3,ABC4D_hR126_146_2b_2b_8b_2b:Bi-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_5b_4b_22b_5b:Bi-Li-O-Si, expected Li4Si5Bi5O22 to be LiSiBiO4" +mp-756818,LiSiBiO4,-6.908573909,-2.4855046417,0.0681183776,0.0681183776,GGA,R-3,ABC4D_hR126_148_f_f_4f_f:Bi-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:Bi-Li-O-Si, expected LiSiBiO17 to be LiSiBiO4" +mp-863062,LiSiBiO4,-6.9161238293,-2.4930545619,0.0605684574,0.0605684574,GGA,P31c,ABC4D_hP14_159_a_b_bc_b:Bi-Li-O-Si,14.0,"Invalid WP multiplicities - ABC4D_hP14_159_a_b_2b3c_b:Bi-Li-O-Si, expected LiSiBiO11 to be LiSiBiO4" +mp-757883,LiSiBiO4,-6.91707832,-2.4940090526,0.0596139667,0.0596139667,GGA,P6_3,ABC4D_hP56_173_ac_bc_b5c_bc:Bi-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_hP56_173_a2c_2b3c_2b28c_2b3c:Bi-Li-O-Si, expected Li11Si11Bi7O86 to be LiSiBiO4" +mp-766374,LiSiBiO4,-6.9131140412,-2.4900447738,0.0635782455,0.0635782455,GGA,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Bi-Li-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_a4b_c_19c_c:Bi-Li-O-Si, expected Li3Si3Bi5O57 to be LiSiBiO4" +mp-757127,LiSi3BiO8,-7.5348539177,-2.7964788579,0.0949959587,0.0949959587,GGA,P1,ABC8D3_aP26_1_2a_2a_16a_6a:Bi-Li-O-Si,26.0,ABC8D3_aP26_1_2a_2a_16a_6a:Bi-Li-O-Si +mp-766179,LiSi3BiO8,-7.5463969967,-2.808021937,0.0834528797,0.0834528797,GGA,Cc,ABC8D3_mC104_9_2a_2a_16a_6a:Bi-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_mC104_9_4a_2a_32a_12a:Bi-Li-O-Si, expected LiSi6(BiO8)2 to be LiSi3BiO8" +mp-757082,LiSi3BiO8,-7.5577825542,-2.8194074945,0.0720673222,0.0720673222,GGA,C2/c,ABC8D3_mC104_15_f_f_8f_3f:Bi-Li-O-Si,52.0,"Invalid WP multiplicities - ABC8D3_mC104_15_f_f_30f_10f:Bi-Li-O-Si, expected LiSi10BiO30 to be LiSi3BiO8" +mp-768821,Li2Bi2B2O7,-6.8501210736,-2.2743958033,0.0538105637,0.0538105637,GGA,C2,A2B2C2D7_mC78_5_3c_ab2c_3c_a10c:B-Bi-Li-O,39.0,"Invalid WP multiplicities - A2B2C2D7_mC78_5_6c_ab4c_5c_a20c:B-Bi-Li-O, expected Li10Bi10B12O41 to be Li2Bi2B2O7" +mp-768765,Li2Bi2B2O7,-6.8308466146,-2.2551213443,0.0730850226,0.0730850226,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Bi-Li-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_7e_3e_5e_25e:B-Bi-Li-O, expected Li5Bi3B7O25 to be Li2Bi2B2O7" +mp-778115,Li2BiBO4,-6.5288408106,-2.2632806257,0.0637753574,0.0637753574,GGA,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:B-Bi-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_11e:B-Bi-Li-O, expected Li3BiBO11 to be Li2BiBO4" +mp-768292,Li2BiBO4,-6.5021673219,-2.236607137,0.0904488461,0.0904488461,GGA,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Bi-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_7c3d:B-Bi-Li-O, expected Li2BiBO13 to be Li2BiBO4" +mp-768731,Li2BiBO4,-6.49604326,-2.2304830751,0.096572908,0.096572908,GGA,Pnma,ABC2D4_oP32_62_c_c_d_2cd:B-Bi-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_oP32_62_c_c_d_5c3d:B-Bi-Li-O, expected Li2BiBO11 to be Li2BiBO4" +mp-768437,Li2Bi(BO3)2,-6.9479125214,-2.3390715511,0.0555098718,0.0555098718,GGA,P2_1/c,A2BC2D6_mP44_14_2e_e_2e_6e:B-Bi-Li-O,44.0,"Invalid WP multiplicities - A2BC2D6_mP44_14_3e_e_3e_19e:B-Bi-Li-O, expected Li3BiB3O19 to be Li2Bi(BO3)2" +mp-757434,LiSi6Bi9O26,-7.0912156362,-2.3855218336,0.0385614326,0.0385614326,GGA,P3,A9BC26D6_hP42_143_a2b2d_a_2c8d_2d:Bi-Li-O-Si,42.0,"Invalid WP multiplicities - A9BC26D6_hP42_143_a2b6d_a_2c22d_2d:Bi-Li-O-Si, expected LiSi6Bi21O68 to be LiSi6Bi9O26" +mp-772721,LiSi6Bi9O26,-7.1010773401,-2.3953835375,0.0286997287,0.0286997287,GGA,P-3,A9BC26D6_hP84_147_3d2g_d_2c8g_2g:Bi-Li-O-Si,84.0,"Invalid WP multiplicities - A9BC26D6_hP84_147_6d11g_d_3c47g_10g:Bi-Li-O-Si, expected LiSi30(Bi13O48)3 to be LiSi6Bi9O26" +mp-768747,Li7Bi(BO4)2,-6.1984553022,-2.3020529451,0.098178784,0.098178784,GGA,C2/m,A2BC7D8_mC72_12_2i_i_ab2i2j_4i2j:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BC7D8_mC72_12_3i_i_ab4i3j_8i3j:B-Bi-Li-O, expected Li11BiB3O14 to be Li7Bi(BO4)2" +mp-768764,Li2BiBO5,-6.4168528172,-2.075611685,0.0559842574,0.0559842574,GGA,P4/nmm,ABC2D5_tP18_129_a_c_e_ci:B-Bi-Li-O,18.0,"Invalid WP multiplicities - ABC2D5_tP18_129_a_c_e_2c3i:B-Bi-Li-O, expected Li2BiBO14 to be Li2BiBO5" +mp-768715,Li3BiB4O9,-7.3152532259,-2.5620165662,0.048679604,0.048679604,GGA,P2_1/m,A4BC3D9_mP34_11_2ef_e_ef_3e3f:B-Bi-Li-O,34.0,"Invalid WP multiplicities - A4BC3D9_mP34_11_4ef_e_e2f_6e5f:B-Bi-Li-O, expected Li5Bi(B3O8)2 to be Li3BiB4O9" +mp-768636,LiBi2BO5,-6.6061794919,-2.050319886,0.0929148966,0.0929148966,GGA,Pnma,AB2CD5_oP36_62_c_d_c_3cd:B-Bi-Li-O,36.0,"Invalid WP multiplicities - AB2CD5_oP36_62_c_d_c_9c4d:B-Bi-Li-O, expected LiBi2BO17 to be LiBi2BO5" +mp-770280,Li6Bi(BO3)3,-6.6957655146,-2.4930076176,0.0089818708,0.0089818708,GGA,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Bi-Li-O,76.0,"Invalid WP multiplicities - A3BC6D9_mP76_14_9e_e_23e_33e:B-Bi-Li-O, expected Li23Bi(B3O11)3 to be Li6Bi(BO3)3" +mp-768774,LiBi4B3O11,-6.9968246011,-2.1693177314,0.0655652937,0.0655652937,GGA,C2/c,A3B4CD11_mC76_15_ef_2f_e_e5f:B-Bi-Li-O,38.0,"Invalid WP multiplicities - A3B4CD11_mC76_15_e2f_3f_e_2e15f:B-Bi-Li-O, expected LiBi6B5O32 to be LiBi4B3O11" +mp-755745,LiBi(BO3)2,-7.074494155,-2.1956613744,0.073278636,0.073278636,GGA,P2_1/c,A2BCD6_mP20_14_e_a_d_3e:B-Bi-Li-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_14_e_a_b_9e:B-Bi-Li-O, expected LiBi(BO9)2 to be LiBi(BO3)2" +mp-1176797,LiBi(BO3)2,-7.115966888,-2.2371341074,0.031805903,0.031805903,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:B-Bi-Li-O,10.0,A2BCD6_hR30_148_c_a_b_f:B-Bi-Li-O +mp-771028,Li3SiBiBO7,-6.7488695938,-2.4181935546,0.0961968529,0.0961968529,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Bi-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Bi-Li-O-Si, expected Li4SiBiBO13 to be Li3SiBiBO7" +mp-758026,Li4Si4Bi2O13,-7.0505515398,-2.6451213184,0.0959698971,0.0959698971,GGA,P-1,A2B4C13D4_aP46_2_2i_4i_13i_4i:Bi-Li-O-Si,46.0,"Invalid WP multiplicities - A2B4C13D4_aP46_2_3i_7i_25i_7i:Bi-Li-O-Si, expected Li7Si7Bi3O25 to be Li4Si4Bi2O13" +mp-756672,Li4Si4Bi2O13,-7.0637172264,-2.658287005,0.0828042104,0.0828042104,GGA,Pna2_1,A2B4C13D4_oP92_33_2a_4a_13a_4a:Bi-Li-O-Si,92.0,"Invalid WP multiplicities - A2B4C13D4_oP92_33_5a_13a_49a_13a:Bi-Li-O-Si, expected Li13Si13Bi5O49 to be Li4Si4Bi2O13" +mp-863427,Li3Si2BiO7,-6.8479078481,-2.6136990197000003,0.0921892521,0.0921892521,GGA,Pnma,AB3C7D2_oP52_62_a_cd_c3d_d:Bi-Li-O-Si,52.0,"Invalid WP multiplicities - AB3C7D2_oP52_62_a_2c3d_4c9d_d:Bi-Li-O-Si, expected Li8Si2BiO22 to be Li3Si2BiO7" +mp-757466,Li3Si2BiO7,-6.8743825683,-2.64017374,0.0657145318,0.0657145318,GGA,P6_3,AB3C7D2_hP78_173_a2b_a2b2c_7c_2c:Bi-Li-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_173_a4b_a4b11c_39c_8c:Bi-Li-O-Si, expected Li38Si24Bi5O117 to be Li3Si2BiO7" +mp-757777,LiSiBi3O7,-6.5975506296,-2.1406731908,0.0415688468,0.0415688468,GGA,P6_3,A3BC7D_hP24_173_c_a_b2c_b:Bi-Li-O-Si,24.0,"Invalid WP multiplicities - A3BC7D_hP24_173_c_a_2b9c_b:Bi-Li-O-Si, expected LiSiBi3O29 to be LiSiBi3O7" +mp-768756,Li2Bi(BO2)5,-7.643826119,-2.6148160729,0.0513813188,0.0513813188,GGA,P2_1/c,A5BC2D10_mP72_14_5e_e_2e_10e:B-Bi-Li-O,72.0,"Invalid WP multiplicities - A5BC2D10_mP72_14_9e_e_3e_27e:B-Bi-Li-O, expected Li3Bi(BO3)9 to be Li2Bi(BO2)5" +mp-777730,Li3BiB8O15,-7.7371007681,-2.6555184509,0.0666173228,0.0666173228,GGA,P2_1/c,A8BC3D15_mP108_14_8e_e_3e_15e:B-Bi-Li-O,108.0,"Invalid WP multiplicities - A8BC3D15_mP108_14_19e_e_9e_53e:B-Bi-Li-O, expected Li9BiB19O53 to be Li3BiB8O15" +mp-759680,LiSi2BiO6,-7.3688969965,-2.7408789641,0.0376286709,0.0376286709,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Bi-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_9f_f:Bi-Li-O-Si, expected LiSi2BiO18 to be LiSi2BiO6" +mp-760468,LiSi2BiO6,-7.3484872455,-2.7204692131,0.0580384219,0.0580384219,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Bi-Li-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_9f_f:Bi-Li-O-Si, expected LiSi2BiO18 to be LiSi2BiO6" +mp-755835,LiBiB2O5,-7.2659526333,-2.3946594006,0.1023207536,0.1023207536,GGA,P2_1,A2BCD5_mP18_4_2a_a_a_5a:B-Bi-Li-O,18.0,"Invalid WP multiplicities - A2BCD5_mP18_4_3a_a_a_9a:B-Bi-Li-O, expected LiBi(BO3)3 to be LiBiB2O5" +mp-755256,LiBiB2O5,-7.2874449644,-2.4161517317,0.0808284225,0.0808284225,GGA,C2,A2BCD5_mC18_5_c_b_a_a2c:B-Bi-Li-O,9.0,"Invalid WP multiplicities - A2BCD5_mC18_5_c_b_a_a4c:B-Bi-Li-O, expected LiBiB2O9 to be LiBiB2O5" +mp-768812,LiBiB2O5,-7.294709895,-2.4234166623,0.0735634919,0.0735634919,GGA,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_5e_e_e_19e:B-Bi-Li-O, expected LiBiB5O19 to be LiBiB2O5" +mp-768789,LiBiB2O5,-7.3186114794,-2.4473182467,0.0496619075,0.0496619075,GGA,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Bi-Li-O, expected LiBiB3O19 to be LiBiB2O5" +mp-768795,LiBiB2O5,-7.3231391683,-2.4518459356,0.0451342186,0.0451342186,GGA,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Bi-Li-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_7e_3e_7e_39e:B-Bi-Li-O, expected Li7Bi3B7O39 to be LiBiB2O5" +mp-768736,LiBiB2O5,-7.2789041869,-2.4076109542,0.0893692,0.0893692,GGA,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Bi-Li-O, expected LiBiB3O19 to be LiBiB2O5" +mp-768665,LiBiB2O5,-7.2724881061,-2.4011948734,0.0957852808,0.0957852808,GGA,C2/c,A2BCD5_mC72_15_2f_2e_f_5f:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_3e_f_17f:B-Bi-Li-O, expected Li2Bi3(B7O17)2 to be LiBiB2O5" +mp-768794,LiBiB2O5,-7.2840170158,-2.4127237831,0.0842563711,0.0842563711,GGA,C2/c,A2BCD5_mC72_15_2f_f_2e_5f:B-Bi-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mC72_15_7f_f_3e_17f:B-Bi-Li-O, expected Li3Bi2(B7O17)2 to be LiBiB2O5" +mp-768776,LiBiB2O5,-7.2934238817,-2.4221306489,0.0748495053,0.0748495053,GGA,Pna2_1,A2BCD5_oP72_33_4a_2a_2a_10a:B-Bi-Li-O,72.0,"Invalid WP multiplicities - A2BCD5_oP72_33_13a_5a_5a_37a:B-Bi-Li-O, expected Li5Bi5B13O37 to be LiBiB2O5" +mp-758245,Li3SiBiO5,-6.400271566,-2.4276696344,0.0569186657,0.0569186657,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Bi-Li-O-Si,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:Bi-Li-O-Si, expected Li6SiBiO10 to be Li3SiBiO5" +mp-778009,LiBi6B3O14,-6.8372506748,-2.0770975533,0.0394601037,0.0394601037,GGA,P2_1/c,A3B6CD14_mP96_14_3e_6e_e_14e:B-Bi-Li-O,96.0,"Invalid WP multiplicities - A3B6CD14_mP96_14_9e_21e_e_53e:B-Bi-Li-O, expected LiBi21B9O53 to be LiBi6B3O14" +mp-859129,Li5Si2BiO8,-6.5630966375,-2.5750185617,0.0591732758,0.0591732758,GGA,C2,AB5C8D2_mC32_5_a_a2bc_4c_c:Bi-Li-O-Si,16.0,"Invalid WP multiplicities - AB5C8D2_mC32_5_a_a2b2c_8c_c:Bi-Li-O-Si, expected Li7Si2BiO16 to be Li5Si2BiO8" +mp-768740,Li2Bi5B3O13,-6.811864227,-2.1438024903,0.0377883701,0.0377883701,GGA,P2_1/m,A3B5C2D13_mP46_11_3e_5e_2e_13e:B-Bi-Li-O,46.0,"Invalid WP multiplicities - A3B5C2D13_mP46_11_5e_9e_3e_25e:B-Bi-Li-O, expected Li3Bi9(BO5)5 to be Li2Bi5B3O13" +mp-768452,Li5Bi2(BO3)4,-6.8964207061,-2.4049674795,0.0325544096,0.0325544096,GGA,Pc,A4B2C5D12_mP46_7_4a_2a_5a_12a:B-Bi-Li-O,46.0,"Invalid WP multiplicities - A4B2C5D12_mP46_7_8a_2a_10a_24a:B-Bi-Li-O, expected Li5Bi(BO3)4 to be Li5Bi2(BO3)4" +mp-757200,Li3Si2Bi3O10,-6.6665497661,-2.3573409237,0.0586641234,0.0586641234,GGA,Pc,A3B3C10D2_mP36_7_3a_3a_10a_2a:Bi-Li-O-Si,36.0,"Invalid WP multiplicities - A3B3C10D2_mP36_7_4a_4a_18a_4a:Bi-Li-O-Si, expected Li2Si2Bi2O9 to be Li3Si2Bi3O10" +mp-757781,LiSi2(BiO3)3,-6.955330556,-2.3685822415,0.053077559,0.053077559,GGA,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_2e:Bi-Li-O-Si,60.0,"Invalid WP multiplicities - A3BC9D2_mP60_14_9e_e_29e_3e:Bi-Li-O-Si, expected LiSi3Bi9O29 to be LiSi2(BiO3)3" +mp-770523,Li4V2Cr3Fe3O16,-7.8503649971,-2.1603746748,0.0815981097,0.0815981097,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Fe-Li-O-V, expected Li4V2Cr3Fe3O20 to be Li4V2Cr3Fe3O16" +mp-1216349,VCrFe2,-8.9469326825,-0.0276836925,0.0814965725,0.0814965725,GGA,Cmm2,AB2C_oC8_35_a_ab_b:Cr-Fe-V,4.0,AB2C_oC8_35_a_ab_b:Cr-Fe-V +mp-865490,V2CrFe,-9.2337013475,-0.1609811425,0.0,-0.0359632448,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cr-Fe-V,4.0,ABC2_cF16_225_a_b_c:Cr-Fe-V +mp-778220,Li4V3Cr2Fe3O16,-7.8650571739,-2.1953933301,0.0715527313,0.0715527313,GGA+U,P1,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Cr-Fe-Li-O-V,28.0,A2B3C4D16E3_aP28_1_2a_3a_4a_16a_3a:Cr-Fe-Li-O-V +mp-1216482,V4CrFe3O16,-8.4036205683,-2.1308807867,0.0244416133,0.0244416133,GGA+U,C2,AB3C16D4_mC48_5_a_ac_8c_2bc:Cr-Fe-O-V,24.0,"Invalid WP multiplicities - AB3C16D4_mC48_5_a_ac_11c_2bc:Cr-Fe-O-V, expected V4CrFe3O22 to be V4CrFe3O16" +mp-1177227,Li4V3Cr3(FeO8)2,-7.9814922211,-2.2695774394,0.0562522306,0.0562522306,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-V,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-V +mp-772532,Li4V3Cr3(FeO8)2,-7.9876199618,-2.2757051801,0.0501244899,0.0501244899,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cr-Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_a2b:Cr-Fe-Li-O-V, expected Li4V5Cr3(FeO10)2 to be Li4V3Cr3(FeO8)2" +mp-1216576,V2Cr2Fe,-9.211998666,-0.023213008,0.105571906,0.105571906,GGA,Fmm2,A2BC2_oF20_42_2a_a_2a:Cr-Fe-V,5.0,A2BC2_oF20_42_2a_a_2a:Cr-Fe-V +mp-1101192,V4CrFeO12,-8.56907883,-2.2458034136,0.065315208,0.065315208,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cr-Fe-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Cr-Fe-O-V, expected V8CrFeO24 to be V4CrFeO12" +mp-978490,SiPdO3,-6.653262066,-1.5642088712,0.712795403,0.712795403,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pd-Si,5.0,A3BC_cP5_221_c_a_b:O-Pd-Si +mp-1195693,P2PdPbO7,-7.1313619864,-2.1908206344,0.0,-0.0111646708,GGA,Pnma,A7B2CD_oP44_62_3c2d_2c_c_a:O-P-Pb-Pd,44.0,A7B2CD_oP44_62_3c2d_2c_c_a:O-P-Pb-Pd +mp-1194892,SiP4PdPbO14,-7.4770385569,-2.4663386096,0.0060834774,0.0060834774,GGA,P2_1/m,A14B4CDE_mP42_11_7f_2f_e_e_a:O-P-Pb-Pd-Si,42.0,A14B4CDE_mP42_11_7f_2f_e_e_a:O-P-Pb-Pd-Si +mp-770963,V2Ni3Te3O16,-6.7451387663,-1.5749237979,0.1088077438,0.1088077438,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Ni-O-Te-V,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Ni-O-Te-V, expected V2Ni3Te3O20 to be V2Ni3Te3O16" +mp-775432,Li2V3TeO8,-7.5035740927,-2.2331184122,0.0760586556,0.0760586556,GGA+U,P1,A2B8CD3_aP56_1_8a_32a_4a_12a:Li-O-Te-V,56.0,A2B8CD3_aP56_1_8a_32a_4a_12a:Li-O-Te-V +mp-1664953,Li2V3TeO8,-7.537273865399999,-2.2668181849,0.0423588829,0.0423588829,GGA+U,Cc,A2B8CD3_mC56_9_2a_8a_a_3a:Li-O-Te-V,28.0,A2B8CD3_hP28_159_ab_ab2c_b_c:Li-O-Te-V +mp-1290526,Li2V3TeO8,-7.53531962,-2.2648639395,0.0443131283,0.0443131283,GGA+U,C2/c,A2B8CD3_mC56_15_f_4f_e_cf:Li-O-Te-V,28.0,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Te-V +mp-754601,Li2V3TeO8,-7.5029622536,-2.2325065731,0.0766704947,0.0766704947,GGA+U,P6_3mc,A2B8CD3_hP28_186_ab_ab2c_b_c:Li-O-Te-V,28.0,"Invalid WP multiplicities - A2B8CD3_hP28_186_a2b_a2b9c_b_c:Li-O-Te-V, expected Li3V3TeO30 to be Li2V3TeO8" +mp-1311816,Li2V3TeO8,-7.53443053,-2.2639748495,0.0452022183,0.0452022183,GGA+U,R-3,A2B8CD3_hR42_148_c_cf_a_d:Li-O-Te-V,28.0,"Invalid WP multiplicities - A2B8CD3_aP28_2_4i_16i_ab_2c2ei:Li-O-Te-V, expected Li4V3TeO16 to be Li2V3TeO8" +mp-780808,Li2V3TeO8,-7.5394443161,-2.2689886356,0.0401884322,0.0401884322,GGA+U,P31c,A2B8CD3_hP28_159_ab_ab2c_b_c:Li-O-Te-V,28.0,"Invalid WP multiplicities - A2B8CD3_hP28_159_a2b_a2b9c_b_c:Li-O-Te-V, expected Li3V3TeO30 to be Li2V3TeO8" +mp-1307013,Li2V3TeO8,-7.5348071907,-2.2643515102,0.0448255576,0.0448255576,GGA+U,R3m,A2B8CD3_hR42_160_2a_2a2b_a_b:Li-O-Te-V,28.0,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Te-V +mp-771246,Li2V3TeO8,-7.53634018,-2.2658844995,0.0432925683,0.0432925683,GGA+U,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Li-O-Te-V,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2ch_a_d:Li-O-Te-V, expected Li2V3TeO10 to be Li2V3TeO8" +mp-559938,LiV3(TeO6)2,-7.3347568311,-2.0676725312,0.0,-0.0033080815,GGA+U,P-1,AB12C2D3_aP36_2_i_12i_2i_3i:Li-O-Te-V,36.0,"Invalid WP multiplicities - AB12C2D3_aP36_2_i_20i_4i_5i:Li-O-Te-V, expected LiV5(TeO5)4 to be LiV3(TeO6)2" +mp-763968,Li4V3Ni3(TeO8)2,-6.8820851389,-1.9656047502,0.0513574518,0.0513574518,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Te-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Te-V +mp-760943,Li4V3Ni3(TeO8)2,-6.8678344682,-1.9513540795,0.0656081225,0.0656081225,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Te-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Ni-O-Te-V, expected Li4V3Ni3(TeO10)2 to be Li4V3Ni3(TeO8)2" +mp-771275,Li4V(TeO4)3,-6.149882818,-1.8743938304,0.0931372938,0.0931372938,GGA+U,P1,A4B12C3D_aP20_1_4a_12a_3a_a:Li-O-Te-V,20.0,A4B12C3D_aP20_1_4a_12a_3a_a:Li-O-Te-V +mp-1566890,Li4V(TeO4)3,-6.2120659353,-1.9365769477,0.0309541765,0.0309541765,GGA+U,P1,A4B12C3D_aP20_1_4a_12a_3a_a:Li-O-Te-V,80.0,A4B12C3D_aP20_1_4a_12a_3a_a:Li-O-Te-V +mp-755674,Li4V(TeO4)3,-6.2069820775,-1.9314930899,0.0360380343,0.0360380343,GGA+U,P2,A4B12C3D_mP20_3_abcd_6e_abc_d:Li-O-Te-V,20.0,"Invalid WP multiplicities - A4B12C3D_mP20_3_abcd_11e_abc_d:Li-O-Te-V, expected Li4VTe3O22 to be Li4V(TeO4)3" +mp-559589,V2Ni(TeO5)2,-7.166721924,-1.8532920761,0.012742043,0.012742043,GGA+U,P-1,AB10C2D2_aP15_2_a_5i_i_i:Ni-O-Te-V,30.0,AB10C2D2_aP15_2_a_5i_i_i:Ni-O-Te-V +mp-631247,LiVTeO5,-6.8453800769,-1.9866827786,0.0916223992,0.0916223992,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-Te-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_18a_a_a:Li-O-Te-V, expected LiVTeO18 to be LiVTeO5" +mp-1180450,LiVTeO5,-6.2854098056,-1.4267125073,0.6515926705,0.6515926705,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-Te-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_18a_a_a:Li-O-Te-V, expected LiVTeO18 to be LiVTeO5" +mp-1181006,LiVTeO5,-6.9361865247,-2.0774892264,0.0008159514,0.0008159514,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-Te-V,32.0,AB5CD_oP32_19_a_5a_a_a:Li-O-Te-V +mp-1182695,LiVTeO5,-6.4670212856,-1.6083239873,0.4699811905,0.4699811905,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-Te-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_18a_a_a:Li-O-Te-V, expected LiVTeO18 to be LiVTeO5" +mp-775216,LiVTeO5,-6.8457252981,-1.9870279998,0.091277178,0.091277178,GGA+U,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-Te-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_a_9c4d_c_c:Li-O-Te-V, expected LiVTeO17 to be LiVTeO5" +mp-761280,LiV(TeO4)3,-6.3071419782,-1.6140236752,0.0488035211,0.0488035211,GGA+U,P1,AB12C3D_aP17_1_a_12a_3a_a:Li-O-Te-V,17.0,AB12C3D_aP17_1_a_12a_3a_a:Li-O-Te-V +mp-756502,LiV(TeO4)3,-6.3251530018,-1.6320346987,0.0307924976,0.0307924976,GGA+U,P2,AB12C3D_mP17_3_a_6e_acd_b:Li-O-Te-V,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_abc_d:Li-O-Te-V, expected LiVTe3O22 to be LiV(TeO4)3" +mp-764607,LiV(TeO4)3,-6.3296211006,-1.6365027975,0.0263243987,0.0263243987,GGA+U,P2,AB12C3D_mP17_3_a_6e_abc_d:Li-O-Te-V,17.0,"Invalid WP multiplicities - AB12C3D_mP17_3_a_11e_acd_b:Li-O-Te-V, expected LiVTe3O22 to be LiV(TeO4)3" +mp-756304,Li3V(TeO3)4,-6.1645073765,-1.8272992376,0.0713838268,0.0713838268,GGA+U,P1,A3B12C4D_aP20_1_3a_12a_4a_a:Li-O-Te-V,20.0,A3B12C4D_aP20_1_3a_12a_4a_a:Li-O-Te-V +mp-780621,Li9V12Te7O48,-7.1758476522,-2.1017505729,0.0601696326,0.0601696326,GGA+U,P1,A9B48C7D12_aP76_1_9a_48a_7a_12a:Li-O-Te-V,76.0,A9B48C7D12_aP76_1_9a_48a_7a_12a:Li-O-Te-V +mp-510641,LiFeAsO4,-6.9008918875,-1.9259179837,0.0,-0.0171596005,GGA+U,Pnma,ABCD4_oP28_62_c_c_a_2cd:As-Fe-Li-O,28.0,ABCD4_oP28_62_c_c_a_2cd:As-Fe-Li-O +mp-1177952,Li2FeBAsO7,-6.8818211229,-2.0273879481,0.0924462736,0.0924462736,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-B-Fe-Li-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-B-Fe-Li-O, expected Li2FeBAsO13 to be Li2FeBAsO7" +mp-18878,LiFeAs2O7,-6.7667655018,-1.8282198777,0.0,-0.0082697471,GGA+U,C2,A2BCD7_mC22_5_c_a_a_b3c:As-Fe-Li-O,11.0,A2BCD7_mC22_5_c_a_a_b3c:As-Fe-Li-O +mp-542008,Li3Fe2(AsO4)3,-6.7217597683,-1.9215382297,0.0009231937,0.0009231937,GGA+U,P2_1/c,A3B2C3D12_mP80_14_3e_2e_3e_12e:As-Fe-Li-O,80.0,A3B2C3D12_mP80_14_3e_2e_3e_12e:As-Fe-Li-O +mp-771029,Li3FeBAsO7,-6.8083661885,-2.1805107296,0.0915814788,0.0915814788,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Fe-Li-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-B-Fe-Li-O, expected Li4FeBAsO13 to be Li3FeBAsO7" +mp-1046045,Sr2YTlNi2O7,-6.7343998754,-2.2424617596,0.0760972351,0.0760972351,GGA+U,P4/mmm,A2B7C2DE_tP13_123_h_ahi_g_c_b:Ni-O-Sr-Tl-Y,13.0,A2B7C2DE_tP13_123_h_ahi_g_c_b:Ni-O-Sr-Tl-Y +mp-1199276,CsScAs2(HO4)2,-6.6454278917,-2.1522086012,0.0,-0.0180209477,GGA,P-1,A2BC2D8E_aP42_2_3i_bi_3i_12i_ei:As-Cs-H-O-Sc,42.0,A2BC2D8E_aP42_2_3i_bi_3i_12i_ei:As-Cs-H-O-Sc +mp-542557,CsScAs2(HO4)2,-6.6422054448,-2.1489861543,0.0032224468,-0.0147985009,GGA,P2_1/c,A2BC2D8E_mP56_14_2e_e_2e_8e_e:As-Cs-H-O-Sc,56.0,A2BC2D8E_mP56_14_2e_e_2e_8e_e:As-Cs-H-O-Sc +mp-9146,CdHgO2,-3.816207865,-1.0362209781,0.00297099,-0.0342023906,GGA,C2/m,ABC2_mC8_12_a_d_i:Cd-Hg-O,4.0,ABC2_mC8_12_a_c_i:Cd-Hg-O +mp-2695851,CdHgO2,-3.819178855,-1.0391919681,0.0,-0.0371733806,GGA,R-3m,ABC2_hR12_166_a_b_c:Cd-Hg-O,4.0,ABC2_hR12_166_a_b_c:Cd-Hg-O +mp-1213917,Cd2Hg2H(SeO5)2,-4.6135592721,-0.9485841919,0.2397262991,0.2397262991,GGA,P2/c,A2BC2D10E2_mP34_13_g_f_ae_5g_g:Cd-H-Hg-O-Se,34.0,A2BC2D10E2_mP34_13_g_f_ae_5g_g:Cd-H-Hg-O-Se +mp-556369,CdHg2SeO6,-4.5467798705,-1.076150447,0.0,-0.030395959,GGA,P-1,AB2C6D_aP20_2_i_2i_6i_i:Cd-Hg-O-Se,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_i_2i_12i_i:Cd-Hg-O-Se, expected CdHg2SeO12 to be CdHg2SeO6" +mp-1183876,CdHg2SeO6,-4.5296778875,-1.059048464,0.017101983,-0.013293976,GGA,P-1,AB2C6D_aP20_2_i_2i_6i_i:Cd-Hg-O-Se,20.0,AB2C6D_aP20_2_i_2i_6i_i:Cd-Hg-O-Se +mp-1190127,CdHgSeO6,-4.6520092056,-0.8294965533,0.2074085293,0.2074085293,GGA,C2/m,ABC6D_mC36_12_g_f_2i2j_i:Cd-Hg-O-Se,18.0,ABC6D_mC36_12_g_e_2i2j_i:Cd-Hg-O-Se +mp-24426,HgH2SeO5,-5.0071051525,-1.0828287648,0.0,-0.0109498917,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:H-Hg-O-Se,36.0,A2BC5D_mP36_14_2e_e_5e_e:H-Hg-O-Se +mp-1194629,CsSc(SeO3)2,-6.5596877818,-2.1697051118,0.0,-0.0432565754,GGA,Pnma,AB6CD2_oP40_62_c_2c2d_c_2c:Cs-O-Sc-Se,40.0,AB6CD2_oP40_62_c_2c2d_c_2c:Cs-O-Sc-Se +mp-1229290,CsSc3H6(Se3O10)2,-6.3504838137,-1.9016391179,0.0,-0.0026933312,GGA,Pnma,AB6C20D3E6_oP144_62_c_3d_2c9d_cd_2c2d:Cs-H-O-Sc-Se,144.0,AB6C20D3E6_oP144_62_c_3d_2c9d_cd_2c2d:Cs-H-O-Sc-Se +mp-776325,Sc2H6(SeO4)3,-6.3319894565,-1.8594114805,0.0182776732,0.0182776732,GGA,R3c,A6B12C2D3_hR138_161_2b_4b_2a_b:H-O-Sc-Se,46.0,"Invalid WP multiplicities - A6B12C2D3_hR138_161_9b_23b_3a_b:H-O-Sc-Se, expected ScH9SeO23 to be Sc2H6(SeO4)3" +mp-1519724,KNd(SnO3)2,-6.715159864,-2.3573776283,0.2004232438,0.2004232438,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:K-Nd-O-Sn,10.0,ABC6D2_cF40_225_a_b_d_c:K-Nd-O-Sn +mp-1516381,KNdHfSnO6,-7.925861872,-2.9733179188000003,0.1463187119,0.1463187119,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Sn +mp-1519556,KNd(SnO3)4,-6.3698936344,-1.8544992825,0.2784787312,0.2784787312,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-Nd-O-Sn,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-Nd-O-Sn, expected KNd(Sn2O9)2 to be KNd(SnO3)4" +mp-1519509,KSrPrNbO6,-7.656048451,-2.9198249047,0.0996641816,0.0996641816,GGA,Pnnn,ABC6DE_oP40_48_ab_e_3m_f_cd:K-Nb-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_2a2b_e_6m_f_cd:K-Nb-O-Pr-Sr, expected K2SrPrNbO12 to be KSrPrNbO6" +mp-1519712,KSrPrNbO6,-7.635058106,-2.8988345597,0.1206545266,0.1206545266,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-Nb-O-Pr-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-Nb-O-Pr-Sr +mp-1097397,Ba2CuPd,-2.2251439475,1.0541156425,1.3626903888,1.3626903888,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Cu-Pd,4.0,A2BC_oI8_71_e_a_b:Ba-Cu-Pd +mp-1228291,Ba4Y2Cu5PdO14,-6.6126460838,-2.1688615029,0.0316385349,0.0316385349,GGA,Pmmm,A4B5C14DE2_oP26_47_2k_c2j_ab2i2j2l_d_k:Ba-Cu-O-Pd-Y,26.0,"Invalid WP multiplicities - A4B5C14DE2_oP26_47_3k_c3j_ab3i3j3l_d_k:Ba-Cu-O-Pd-Y, expected Ba6Y2Cu7PdO20 to be Ba4Y2Cu5PdO14" +mp-1228152,Ba4Y2Cu5PdO14,-6.6102518527,-2.1664672718,0.034032766,0.034032766,GGA,Fmmm,A4B5C14DE2_oF104_69_j_a2i_g2imn_b_f:Ba-Cu-O-Pd-Y,26.0,"Invalid WP multiplicities - A4B5C14DE2_oF104_69_j_a3i_g3imn_b_f:Ba-Cu-O-Pd-Y, expected Ba4Y2Cu7PdO16 to be Ba4Y2Cu5PdO14" +mp-1095840,Y2CuPd,-3.65808016,1.8949275167,2.4794116413,2.4794116413,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pd-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Pd-Y +mp-9656,BaY2PdO5,-8.0105858906,-3.0366700536,0.0185981865,0.0185981865,GGA,P4/mbm,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Y,18.0,AB5CD2_tP18_127_b_ak_c_g:Ba-O-Pd-Y +mp-1211595,KDy(MoO4)2,-8.1162184017,-2.5343854269,0.0163272854,-0.0062199269,GGA+U,P-1,ABC2D8_aP24_2_i_i_2i_8i:Dy-K-Mo-O,24.0,ABC2D8_aP24_2_i_i_2i_8i:Dy-K-Mo-O +mp-1211658,KDy(MoO4)2,-8.1178095013,-2.5359765265,0.0147361858,-0.0078110265,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Dy-K-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Dy-K-Mo-O +mp-1211686,KDy(MoO4)2,-8.1325456871,-2.5507127123,0.0,-0.0225472123,GGA+U,Pbcn,ABC2D8_oP48_60_c_c_d_4d:Dy-K-Mo-O,48.0,ABC2D8_oP48_60_c_c_d_4d:Dy-K-Mo-O +mp-1211571,KLiDy2(MoO4)4,-8.1458179746,-2.5307131698000003,0.0178901518,0.0178901518,GGA+U,C2/c,A2BCD4E16_mC96_15_f_e_e_2f_8f:Dy-K-Li-Mo-O,48.0,A2BCD4E16_mC96_15_f_e_e_2f_8f:Dy-K-Li-Mo-O +mp-1520878,KSrSmMnO6,-6.99543043,-2.3593678205,0.1664789291,0.1664789291,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Sm-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Sm-Sr +mp-1517964,KSmMn4O12,-7.3026857094,-1.6450573325,0.3213622307,0.3213622307,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:K-Mn-O-Sm,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:K-Mn-O-Sm, expected KSmMn4O18 to be KSmMn4O12" +mp-1176803,Li8Zr7Fe(PO4)12,-8.0873473053,-3.0087157688,0.0557001216,0.0557001216,GGA+U,P1,AB8C48D12E7_aP76_1_a_8a_48a_12a_7a:Fe-Li-O-P-Zr,76.0,AB8C48D12E7_aP76_1_a_8a_48a_12a_7a:Fe-Li-O-P-Zr +mp-759723,Li2Zr7Fe(PO4)12,-8.3562569714,-3.0059361204,0.0198952196,0.0198952196,GGA+U,P1,AB2C48D12E7_aP70_1_a_2a_48a_12a_7a:Fe-Li-O-P-Zr,70.0,AB2C48D12E7_aP70_1_a_2a_48a_12a_7a:Fe-Li-O-P-Zr +mp-773105,Li2Zr7Fe(PO4)12,-8.3548354704,-3.0045146194,0.0213167206,0.0213167206,GGA+U,P1,AB2C48D12E7_aP70_1_a_2a_48a_12a_7a:Fe-Li-O-P-Zr,70.0,AB2C48D12E7_aP70_1_a_2a_48a_12a_7a:Fe-Li-O-P-Zr +mp-773052,Li2Zr2(PO4)3,-8.0903393074,-3.0106856732,0.0982445081,0.0982445081,GGA,C2/c,A2B12C3D2_mC76_15_f_6f_ef_f:Li-O-P-Zr,38.0,"Invalid WP multiplicities - A2B12C3D2_mC76_15_f_23f_2ef_f:Li-O-P-Zr, expected LiZrP2O23 to be Li2Zr2(PO4)3" +mp-773074,LiZr2(PO4)3,-8.3966224117,-3.1408170682,0.0313417125,0.0064226267,GGA,P1,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Zr,36.0,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Zr +mp-759280,LiZr2(PO4)3,-8.4198781136,-3.1640727702,0.0080860106,-0.0168330753,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Zr,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Zr, expected LiZr3P5O23 to be LiZr2(PO4)3" +mp-1246721,LiZr2(PO4)3,-8.2471128658,-2.9913075224,0.1808512583,0.1559321725,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Zr,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Zr, expected LiZr3P5O23 to be LiZr2(PO4)3" +mp-681439,LiZr2(PO4)3,-8.4120278336,-3.1562224902,0.0159362906,-0.0089827953,GGA,C2,AB12C3D2_mC72_5_c_12c_ab2c_2c:Li-O-P-Zr,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_5_c_22c_ab2c_2c:Li-O-P-Zr, expected LiZr2P3O22 to be LiZr2(PO4)3" +mp-773068,LiZr2(PO4)3,-8.4168617903,-3.1610564469,0.0111023339,-0.0138167519,GGA,Cc,AB12C3D2_mC72_9_a_12a_3a_2a:Li-O-P-Zr,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_9_a_24a_6a_3a:Li-O-P-Zr, expected LiZr3(PO4)6 to be LiZr2(PO4)3" +mp-10499,LiZr2(PO4)3,-8.4279641242,-3.1721587807,0.0,-0.0249190858,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Zr,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_19e_4e_3e:Li-O-P-Zr, expected LiZr3P4O19 to be LiZr2(PO4)3" +mp-541661,LiZr2(PO4)3,-8.4101446186,-3.1543392752,0.0178195056,-0.0070995803,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-Zr,36.0,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-Zr +mp-34541,Li31Zr2P13,-3.7902400433,-0.602306506,0.1456466143,0.1456466143,GGA,R3m,A31B13C2_hR138_160_31a_13a_2a:Li-P-Zr,46.0,A31B13C2_hR138_160_31a_13a_2a:Li-P-Zr +mp-766132,Li2ZrFe(PO4)3,-7.8979552249,-2.8223899813,0.0001774903,0.0001774903,GGA+U,Pna2_1,AB2C12D3E_oP76_33_a_2a_12a_3a_a:Fe-Li-O-P-Zr,76.0,"Invalid WP multiplicities - AB2C12D3E_oP76_33_a_6a_46a_10a_a:Fe-Li-O-P-Zr, expected Li6ZrFe(P5O23)2 to be Li2ZrFe(PO4)3" +mp-771710,Li3Zr4(PO4)6,-8.2480297154,-3.0826806551,0.0570093854,0.0570093854,GGA,P1,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-Zr,37.0,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-Zr +mp-728170,Rb2CrH2Cl5O,-4.7533561025,-1.7907252192,0.0,-0.0427868383,GGA+U,Pnma,A5BC2DE2_oP44_62_3cd_c_d_c_d:Cl-Cr-H-O-Rb,44.0,A5BC2DE2_oP44_62_3cd_c_d_c_d:Cl-Cr-H-O-Rb +mp-1198076,Rb2CrCl5O,-4.5951379231,-1.7280837424,0.0359912353,0.0359912353,GGA+U,Pnma,A5BCD2_oP36_62_3cd_c_c_d:Cl-Cr-O-Rb,36.0,A5BCD2_oP36_62_3cd_c_c_d:Cl-Cr-O-Rb +mp-734815,CrH12(ClO2)3,-5.2361227634,-1.3455999335,0.0,-0.0067939689,GGA+U,R-3c,A3BC12D6_hR132_167_e_b_2f_f:Cl-Cr-H-O,44.0,A3BC12D6_hR132_167_e_b_2f_f:Cl-Cr-H-O +mp-505248,Rb3Cr(HO)6,-4.7221817137,-0.8077355747,0.8064833342000001,0.8064833342000001,GGA+U,R-3c,AB6C6D3_hR96_167_b_f_f_e:Cr-H-O-Rb,32.0,AB6C6D3_hR96_167_b_f_f_e:Cr-H-O-Rb +mp-1200241,Rb3Cr(HO)6,-5.5221639475,-1.6077178084,0.0065011005,0.0065011005,GGA+U,R-3c,AB6C6D3_hR96_167_b_f_f_e:Cr-H-O-Rb,32.0,AB6C6D3_hR96_167_b_f_f_e:Cr-H-O-Rb +mp-558306,RbCrClO3,-6.3599940437,-1.8062966544,0.0584969662,0.0584969662,GGA+U,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cl-Cr-O-Rb,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_9e_e:Cl-Cr-O-Rb, expected RbCrClO9 to be RbCrClO3" +mp-1221302,Na2Zr4As3(PO8)3,-7.9912635619,-2.8308845366,0.0069754439,0.0069754439,GGA,R32,A3B2C24D3E4_hR108_155_d_c_4f_e_2c:As-Na-O-P-Zr,36.0,"Invalid WP multiplicities - A3B2C24D3E4_hR108_155_d_c_6f_e_3c:As-Na-O-P-Zr, expected Na2Zr6As3(PO12)3 to be Na2Zr4As3(PO8)3" +mp-553912,NaZr2(AsO4)3,-7.6039101289,-2.5063797787,0.0,-0.0912216519,GGA,R-3c,A3BC12D2_hR108_167_e_b_2f_c:As-Na-O-Zr,36.0,"Invalid WP multiplicities - A3BC12D2_hR108_167_e_b_16f_c:As-Na-O-Zr, expected NaZr2(AsO32)3 to be NaZr2(AsO4)3" +mp-662588,SbRu2C6Cl7O6,-6.6462896084,-1.1613037828,0.048280751,0.048280751,GGA,P2_1/c,A6B7C6D2E_mP88_14_6e_7e_6e_2e_e:C-Cl-O-Ru-Sb,88.0,"Invalid WP multiplicities - A6B7C6D2E_mP88_14_22e_23e_22e_4e_e:C-Cl-O-Ru-Sb, expected SbRu4C22Cl23O22 to be SbRu2C6Cl7O6" +mp-558165,SbC(Cl2O)2,-5.1726071666,-1.3419583172,0.0888192497,0.0888192497,GGA,P-1,AB4C2D_aP32_2_2i_8i_4i_2i:C-Cl-O-Sb,32.0,"Invalid WP multiplicities - AB4C2D_aP32_2_4i_16i_6i_4i:C-Cl-O-Sb, expected Sb2C2Cl8O3 to be SbC(Cl2O)2" +mp-999274,RbNaH2,-2.4225525275,-0.1504246635,0.1052130225,0.1052130225,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:H-Na-Rb,4.0,A2BC_tP4_123_ad_b_c:H-Na-Rb +mp-1095176,Rb3NaH4,-2.4102051925,-0.1808262311,0.06533759,0.06533759,GGA,Pm-3m,A4BC3_cP8_221_ac_b_d:H-Na-Rb,8.0,A4BC3_cP8_221_ac_b_d:H-Na-Rb +mp-735488,RbNa3Mo2H18O17,-5.7697433898,-1.579446144,0.0049678769,0.0049678769,GGA+U,P6_3/m,A18B2C3D17E_hP82_176_3i_f_h_fh2i_a:H-Mo-Na-O-Rb,82.0,A18B2C3D17E_hP82_176_3i_f_h_fh2i_a:H-Mo-Na-O-Rb +mp-1078643,RbNa3H4,-2.480057725,-0.1651809584,0.0999305925,0.0999305925,GGA,Pm-3m,A4B3C_cP8_221_ac_d_b:H-Na-Rb,8.0,A4B3C_cP8_221_ac_d_b:H-Na-Rb +mp-1190336,Ho2CoTe2(SO7)2,-7.107646471,-2.3416327084,0.0,-0.00551297,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Ho-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Ho-O-S-Te +mp-976064,Ho6CoTe2,-5.2927257144,-0.7494609587000001,0.0,-0.0282737486,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Ho-Te,9.0,AB6C2_hP9_189_a_fg_d:Co-Ho-Te +mp-1223956,Ho2TeS2,-6.25514591,-2.1389412366,0.0,-0.0085663206,GGA,Immm,A2B2C_oI10_71_f_e_a:Ho-S-Te,5.0,A2B2C_oI10_71_f_e_a:Ho-S-Te +mp-1046177,Sr2YCu3O7,-6.5542107146,-2.1872954062,0.0530241894,0.0530241894,GGA,Ima2,A3B7C2D_oI52_46_bc_b3c_c_a:Cu-O-Sr-Y,26.0,A3B7C2D_oI52_46_bc_b3c_c_a:Cu-O-Sr-Y +mp-985569,Sr2YCu3O7,-6.5849272562,-2.2180119478,0.0223076479,0.0223076479,GGA,Pmmm,A3B7C2D_oP13_47_cj_aijl_k_f:Cu-O-Sr-Y,13.0,A3B7C2D_oP13_47_cj_aijl_k_f:Cu-O-Sr-Y +mp-1278182,YMn4(CuO4)3,-7.5808226935,-1.8422018522,0.0400849006,0.0400849006,GGA+U,C2/m,A3B4C12D_mC80_12_abcdi_efj_4i4j_i:Cu-Mn-O-Y,40.0,"Invalid WP multiplicities - A3B4C12D_oI40_71_2abc_k_3l2m4n_d:Cu-Mn-O-Y, expected YMn4(CuO9)4 to be YMn4(CuO4)3" +mp-504836,YMn4(CuO4)3,-7.580522822,-1.8419019807,0.0403847721,0.0403847721,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Mn-O-Y,40.0,"Invalid WP multiplicities - A3B4C12D_oI40_71_2a2b2c_k_2l3m4n_d:Cu-Mn-O-Y, expected YMn4(CuO6)6 to be YMn4(CuO4)3" +mp-1048239,Sr2Y2Cu2O7,-7.2633220742,-2.714309501,0.0926368518,0.0926368518,GGA,Ima2,A2B7C2D2_oI52_46_c_b3c_c_ab:Cu-O-Sr-Y,26.0,A2B7C2D2_oI52_46_c_b3c_c_ab:Cu-O-Sr-Y +mp-1043039,Sr2YMnCu2O7,-7.1533936354,-2.3970315099,0.0506905328,0.0506905328,GGA+U,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Mn-O-Sr-Y,26.0,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Mn-O-Sr-Y +mp-1518082,KPrFeBiO6,-6.784716792,-1.9965220611,0.1775828137,0.1775828137,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Fe-K-O-Pr +mp-1517827,NaY(FeO3)4,-6.9990736217,-1.3863321893,0.2809134469,0.2809134469,GGA+U,P4/mmm,A4BC12D_tP18_123_i_a_efr_d:Fe-Na-O-Y,18.0,"Invalid WP multiplicities - A4BC12D_tP18_123_i_a_2e2fr_d:Fe-Na-O-Y, expected NaY(FeO4)4 to be NaY(FeO3)4" +mp-1521624,NaCaYFeO6,-6.985069639,-2.1905946626,0.1903348411,0.1903348411,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Na-O-Y,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-Na-O-Y +mp-1516941,SrCaEuWO6,-8.606919381,-2.9478836179,0.0619427849,0.0619427849,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ca-Eu-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ca-Eu-O-Sr-W +mp-1213522,CsRbMo3P3O17,-7.782856049,-2.3929959536,0.0,-0.0010604729,GGA+U,P2_1/c,AB3C17D3E_mP100_14_e_3e_17e_3e_e:Cs-Mo-O-P-Rb,100.0,AB3C17D3E_mP100_14_e_3e_17e_3e_e:Cs-Mo-O-P-Rb +mp-1226235,CsRb3(Mo3O10)2,-7.6966572663,-2.1018346172,0.0108051652,0.0108051652,GGA+U,P1,AB6C20D3_aP30_1_a_6a_20a_3a:Cs-Mo-O-Rb,30.0,AB6C20D3_aP30_1_a_6a_20a_3a:Cs-Mo-O-Rb +mp-1009544,CsRbP,-2.4379566567,-0.0082103396,0.2476739461,0.2476739461,GGA,F-43m,ABC_cF12_216_a_c_b:Cs-P-Rb,3.0,ABC_cF12_216_a_c_b:Cs-P-Rb +mp-1213122,CsRbMo3O10,-7.6978832827,-2.1058983569,0.0092817752,0.0092817752,GGA+U,P-1,AB3C10D_aP30_2_i_3i_10i_i:Cs-Mo-O-Rb,30.0,AB3C10D_aP30_2_i_3i_10i_i:Cs-Mo-O-Rb +mp-1226988,Cs3Rb5Mo12(P3O17)4,-7.7819419464,-2.391230534,0.0,-1.09299e-05,GGA+U,P1,A3B12C68D12E5_aP100_1_3a_12a_68a_12a_5a:Cs-Mo-O-P-Rb,100.0,A3B12C68D12E5_aP100_1_3a_12a_68a_12a_5a:Cs-Mo-O-P-Rb +mp-548469,BaZnSO,-5.1443021663,-2.0788378842,0.0,-0.0180506813,GGA,Cmcm,ABCD_oC16_63_c_a_c_c:Ba-O-S-Zn,8.0,ABCD_oC16_63_c_a_c_c:Ba-O-S-Zn +mp-1235679,Ba2LiZn2(SO)2,-4.6642892233,-1.7273295430000002,0.2646896191,0.2646896191,GGA,P1,A2BC2D2E2_aP9_1_2a_a_2a_2a_2a:Ba-Li-O-S-Zn,9.0,A2BC2D2E2_aP9_1_2a_a_2a_2a_2a:Ba-Li-O-S-Zn +mp-1236024,Ba2LiZn2(SO)2,-4.7174813444,-1.7805216641,0.211497498,0.211497498,GGA,Pm,A2BC2D2E2_mP9_6_2a_a_2b_ab_2b:Ba-Li-O-S-Zn,9.0,A2BC2D2E2_mP9_6_2a_a_2b_ab_2b:Ba-Li-O-S-Zn +mp-1235431,Ba2LiZn2(SO)2,-4.62955043,-1.6925907497,0.2994284124,0.2994284124,GGA,Cm,A2BC2D2E2_mC18_8_2a_a_2a_2a_2a:Ba-Li-O-S-Zn,9.0,A2BC2D2E2_mC18_8_2a_a_2a_2a_2a:Ba-Li-O-S-Zn +mp-773508,Li4Cu3Ni3(WO8)2,-6.7072902621,-1.623825928,0.0375986855,0.0375986855,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Ni-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Ni-O-W, expected Li4Cu3Ni3(WO10)2 to be Li4Cu3Ni3(WO8)2" +mp-1218766,Sr2MnGaO5F,-6.896999311,-2.6755972365,0.1336769142,0.1336769142,GGA+U,Pmmm,ABCD5E2_oP10_47_c_a_b_defi_l:F-Ga-Mn-O-Sr,10.0,ABCD5E2_oP10_47_c_a_b_defi_l:F-Ga-Mn-O-Sr +mp-6509,Sr3GaO4F,-6.4249270589,-3.1143925928,0.0,-0.0016169203,GGA,I4/mcm,ABC4D3_tI36_140_c_b_l_ah:F-Ga-O-Sr,18.0,ABC4D3_tI36_140_c_b_l_ah:F-Ga-O-Sr +mp-1106083,SrMnOF5,-5.6948905669,-2.5254415301,0.4450734458,0.4450734458,GGA+U,P2_1/m,A5BCD_mP16_11_e2f_a_e_e:F-Mn-O-Sr,16.0,A5BCD_mP16_11_e2f_a_e_e:F-Mn-O-Sr +mp-562584,Co3C10ClO9,-7.638678065,-0.6830109619,0.462874058,0.462874058,GGA+U,P-1,A10BC3D9_aP46_2_10i_i_3i_9i:C-Cl-Co-O,46.0,"Invalid WP multiplicities - A10BC3D9_aP46_2_20i_i_6i_17i:C-Cl-Co-O, expected Co6C20ClO17 to be Co3C10ClO9" +mp-1203077,Na3CoC2ClO6,-6.6352244787,-1.9381557411,0.0,-0.0120710084,GGA+U,Fd-3,A2BCD3E6_cF208_203_e_c_d_f_g:C-Cl-Co-Na-O,52.0,A2BCD3E6_cF208_203_e_c_d_f_g:C-Cl-Co-Na-O +mp-562661,NaCo(CO)4,-7.4544058972,-0.9411799069,0.3784719856,0.3784719856,GGA+U,Pbcm,A4BCD4_oP40_57_2de_d_d_2de:C-Co-Na-O,40.0,"Invalid WP multiplicities - A4BCD4_oP40_57_6d4e_d_d_8d6e:C-Co-Na-O, expected NaCo(C7O10)2 to be NaCo(CO)4" +mp-1180522,NaCo4(CO5)3,-6.7773226257,-1.0537520335,0.3774929548,0.3774929548,GGA+U,P2_1,A3B4CD15_mP46_4_3a_4a_a_15a:C-Co-Na-O,46.0,"Invalid WP multiplicities - A3B4CD15_mP46_4_6a_7a_a_30a:C-Co-Na-O, expected NaCo7(CO5)6 to be NaCo4(CO5)3" +mp-1221135,Na5CoCO5,-5.6478476617,-1.6742598858000002,0.0364914786,0.0364914786,GGA+U,Pmm2,ABC5D5_oP12_25_a_d_bef_aef:C-Co-Na-O,12.0,"Invalid WP multiplicities - ABC5D5_oP12_25_a_d_b2e2f_aef:C-Co-Na-O, expected Na9CoCO5 to be Na5CoCO5" +mp-1045028,W3Se2ClO8,-7.4160663507,-1.1811906368,0.6348743125,0.6348743125,GGA+U,Pm,AB8C2D3_mP28_6_ab_8c_2c_ab2c:Cl-O-Se-W,28.0,"Invalid WP multiplicities - AB8C2D3_mP28_6_ab_15c_4c_ab3c:Cl-O-Se-W, expected W4Se4ClO15 to be W3Se2ClO8" +mp-1045980,AlW3Se2ClO8,-7.7754820497,-1.7065596613,0.3546325265,0.3546325265,GGA+U,P1,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-W,30.0,ABC8D2E3_aP30_1_2a_2a_16a_4a_6a:Al-Cl-O-Se-W +mp-581188,Ba3Li2V2Cl4O7,-6.6431809033,-2.7674281082,0.0101808275,0.0101808275,GGA+U,C2/m,A3B4C2D7E2_mC72_12_ac2i_4i_ei_3i2j_2i:Ba-Cl-Li-O-V,36.0,"Invalid WP multiplicities - A3B4C2D7E2_mC72_12_ad4i_7i_2ei_6i6j_4i:Ba-Cl-Li-O-V, expected Ba5Li3V4Cl7O18 to be Ba3Li2V2Cl4O7" +mp-2228209,MgAlTe(WO4)2,-7.8825191246,-2.1918320536,0.2320612022,0.2320612022,GGA+U,P1,ABC8DE2_aP13_1_a_a_8a_a_2a:Al-Mg-O-Te-W,13.0,ABC8DE2_aP13_1_a_a_8a_a_2a:Al-Mg-O-Te-W +mp-1185713,Mg16Al12Te,-2.56928194,-0.0280855037,0.0714478886,0.0714478886,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Te,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a9b5c_a:Al-Mg-Te, expected Mg58Al48Te to be Mg16Al12Te" +mp-1185718,Mg16Al12Te,-2.5465941521,-0.0053977157,0.0941356766,0.0941356766,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Te,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Te, expected Mg60Al12Te to be Mg16Al12Te" +mp-1041771,AlTe(WO4)2,-8.1042721492,-2.0727178264,0.1959878161,0.1959878161,GGA+U,P-1,AB8CD2_aP12_2_b_4i_d_i:Al-O-Te-W,12.0,"Invalid WP multiplicities - AB8CD2_aP12_2_b_8i_d_i:Al-O-Te-W, expected AlTe(WO8)2 to be AlTe(WO4)2" +mp-1392021,AlTe(WO4)2,-6.8086649392,-0.7771106164,1.4915950261,1.4915950261,GGA+U,P-1,AB8CD2_aP12_2_b_4i_e_i:Al-O-Te-W,12.0,"Invalid WP multiplicities - AB8CD2_aP12_2_b_8i_e_i:Al-O-Te-W, expected AlTe(WO8)2 to be AlTe(WO4)2" +mp-1041870,AlTe(WO4)2,-8.1108093133,-2.0792549906,0.1894506519,0.1894506519,GGA+U,P2/c,AB8CD2_mP24_13_e_4g_f_g:Al-O-Te-W,24.0,AB8CD2_mP24_13_e_4g_f_g:Al-O-Te-W +mp-2230642,MgV2Cr4O12,-8.39796136,-2.2010904861,0.2620581028,0.2620581028,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_mC38_8_4a_a_6a6b_2a:Cr-Mg-O-V, expected MgV2Cr4O18 to be MgV2Cr4O12" +mp-2230278,MgV2Cr4O12,-8.4420343595,-2.2451634855,0.2179851034,0.2179851034,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Cr-Mg-O-V,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Cr-Mg-O-V +mp-2230584,MgV2Cr4O12,-8.4486709521,-2.2518000782,0.2113485107,0.2113485107,GGA+U,P2,A4BC12D2_mP19_3_2b2c_a_6e_bc:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_3_2a2b_c_12e_ab:Cr-Mg-O-V, expected MgV2Cr4O24 to be MgV2Cr4O12" +mp-2230944,MgV2Cr4O12,-8.4365093768,-2.2396385029,0.223510086,0.223510086,GGA+U,Pm,A4BC12D2_mP19_6_2c_a_2a2b4c_ab:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_6_2c_a_2a2b6c_ab:Cr-Mg-O-V, expected MgV2Cr4O16 to be MgV2Cr4O12" +mp-2230624,MgV2Cr4O12,-8.4336112768,-2.2367404029,0.226408186,0.226408186,GGA+U,P-4,A4BC12D2_tP19_81_2g_a_3h_g:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC12D2_tP19_81_4g_a_12h_g:Cr-Mg-O-V, expected MgV2Cr8O48 to be MgV2Cr4O12" +mp-1221990,MgVCrO4,-8.4098308243,-2.6778324764,0.0,-0.0075030124,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-O-V,14.0,ABC4D_oI28_74_a_e_hi_c:Cr-Mg-O-V +mp-2218520,MgV2Cr2O8,-8.4050634031,-2.3552405708,0.2081774054,0.2081774054,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Cr-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_3c2de_ab:Cr-Mg-O-V, expected MgV2Cr2O12 to be MgV2Cr2O8" +mp-2230483,MgV5CrO12,-8.5544111768,-2.4474047345,0.1094816974,0.1094816974,GGA+U,C2,ABC12D5_mC38_5_a_a_6c_b2c:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - ABC12D5_mC38_5_a_a_12c_b4c:Cr-Mg-O-V, expected MgV9CrO24 to be MgV5CrO12" +mp-1031588,Mg6VCrO8,-6.9851197113,-2.7406107406,0.0808138775,0.0808138775,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-V, expected Mg6VCrO12 to be Mg6VCrO8" +mp-1031634,Mg6VCrO8,-6.9786587694,-2.7341497987,0.0872748193,0.0872748193,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-V, expected Mg6VCrO12 to be Mg6VCrO8" +mp-1036803,Mg30VCrO32,-6.4946664606,-2.9784259325,0.0174604466,0.0174604466,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-V, expected Mg90VCrO80 to be Mg30VCrO32" +mp-1036772,Mg30VCrO32,-6.4953788991,-2.9791383709,0.0167480081,0.0167480081,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-V, expected Mg110VCrO72 to be Mg30VCrO32" +mp-1034527,Mg14VCrO16,-6.6564782713,-2.8974815956,0.0402508631,0.0402508631,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-V, expected Mg18VCrO20 to be Mg14VCrO16" +mp-1034467,Mg14VCrO16,-6.6544588597,-2.8954621841,0.0422702747,0.0422702747,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-V, expected Mg30VCrO32 to be Mg14VCrO16" +mp-2224999,MgV3CrO10,-8.1429139947,-2.2781184718,0.2013269061,0.2013269061,GGA+U,P1,ABC10D3_aP15_1_a_a_10a_3a:Cr-Mg-O-V,15.0,ABC10D3_aP15_1_a_a_10a_3a:Cr-Mg-O-V +mp-2241091,MgV3CrO10,-8.1961229847,-2.3313274618,0.1481179161,0.1481179161,GGA+U,P1,ABC10D3_aP15_1_a_a_10a_3a:Cr-Mg-O-V,15.0,ABC10D3_aP15_1_a_a_10a_3a:Cr-Mg-O-V +mp-2241072,MgV3CrO10,-8.1971652393,-2.3323697165,0.1470756614,0.1470756614,GGA+U,C2,ABC10D3_mC30_5_a_b_5c_ac:Cr-Mg-O-V,15.0,"Invalid WP multiplicities - ABC10D3_mC30_5_a_b_10c_ac:Cr-Mg-O-V, expected MgV3CrO20 to be MgV3CrO10" +mp-2240894,MgV3CrO10,-8.1037709627,-2.2389754398,0.2404699381,0.2404699381,GGA+U,Pmm2,ABC10D3_oP15_25_a_a_bcefgh_bcd:Cr-Mg-O-V,15.0,"Invalid WP multiplicities - ABC10D3_oP15_25_a_a_bc2e2fgh_bcd:Cr-Mg-O-V, expected MgV3CrO14 to be MgV3CrO10" +mp-2230752,MgV4Cr2O12,-8.541407596300001,-2.4044463434,0.1329840279,0.1329840279,GGA+U,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Cr-Mg-O-V,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Cr-Mg-O-V +mp-2230383,MgV4Cr2O12,-8.4765687068,-2.3396074539,0.1978229174,0.1978229174,GGA+U,P-1,A2BC12D4_aP19_2_i_a_6i_2i:Cr-Mg-O-V,19.0,"Invalid WP multiplicities - A2BC12D4_aP19_2_i_a_11i_3i:Cr-Mg-O-V, expected MgV6Cr2O22 to be MgV4Cr2O12" +mp-1031505,KMg6AlO8,-6.0212856056,-2.6443378077,0.3750125745,0.3750125745,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-K-Mg-O, expected KMg6AlO12 to be KMg6AlO8" +mp-1033058,KMg6AlO8,-6.0845388531,-2.7075910552,0.311759327,0.311759327,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-K-Mg-O, expected KMg6AlO12 to be KMg6AlO8" +mp-1038234,KMg30AlO32,-6.2852421692,-2.9858919343,0.0594758858,0.0594758858,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-K-Mg-O, expected KMg110AlO72 to be KMg30AlO32" +mp-1098637,KMg30AlO32,-6.2931437623,-2.9937935274000003,0.0515742927,0.0515742927,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-K-Mg-O, expected KMg90AlO80 to be KMg30AlO32" +mp-1023401,KMg6Al,-1.6130993394000002,0.1941075453,0.2178776728,0.2178776728,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-K-Mg, expected KMg12Al to be KMg6Al" +mp-1023416,KMg6Al,-1.6129486987,0.1942581859,0.2180283134,0.2180283134,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-K-Mg, expected KMg12Al to be KMg6Al" +mp-2241357,KMgAl(MoO4)2,-7.3310204985,-2.1217078264,0.4165383432,0.4165383432,GGA+U,P3m1,ABCD2E8_hP13_156_b_b_a_ac_ac2d:Al-K-Mg-Mo-O,13.0,"Invalid WP multiplicities - ABCD2E8_hP13_156_b_b_a_ac_ac3d:Al-K-Mg-Mo-O, expected KMgAlMo2O11 to be KMgAl(MoO4)2" +mp-19352,KAl(MoO4)2,-7.8822748367,-2.3722094461,0.0,-0.0122948819,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Al-K-Mo-O,12.0,"Invalid WP multiplicities - ABC2D8_hP12_164_a_b_d_d2i:Al-K-Mo-O, expected KAl(MoO7)2 to be KAl(MoO4)2" +mp-1036571,KMg14AlO16,-6.2315977937,-2.9063817045,0.1303136363,0.1303136363,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-K-Mg-O, expected KMg18AlO20 to be KMg14AlO16" +mp-1036563,KMg14AlO16,-6.2122886619,-2.8870725726,0.1496227682,0.1496227682,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-K-Mg-O, expected KMg30AlO32 to be KMg14AlO16" +mp-1028225,KMg14Al,-1.6047218381,0.0990216292,0.1245256289,0.1245256289,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-K-Mg, expected KMg18Al to be KMg14Al" +mp-1028206,KMg14Al,-1.5990490575,0.1046944098,0.1301984095,0.1301984095,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-K-Mg, expected KMg26Al to be KMg14Al" +mp-1101916,NaFe(SO)2,-5.4017893317,-0.7419853884000001,0.8864094917,0.8864094917,GGA+U,C2/c,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S,12.0,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S +mp-1179885,NaFe(SO)2,-5.5024712617,-0.8426673184,0.7857275617,0.7857275617,GGA+U,C2/c,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S,12.0,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S +mp-1179891,NaFe(SO)2,-5.3861942292,-0.7263902859,0.9020045942,0.9020045942,GGA+U,C2/c,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S,12.0,ABC2D2_mC24_15_e_e_f_f:Fe-Na-O-S +mp-560538,Na3AlS3,-4.2799855445,-1.4053425,0.0,-0.1286048647,GGA,P2_1/c,AB3C3_mP56_14_2e_6e_6e:Al-Na-S,56.0,"Invalid WP multiplicities - AB3C3_mP56_14_5e_23e_24e:Al-Na-S, expected Na23Al5S24 to be Na3AlS3" +mp-1210191,NaAl(SO4)2,-6.7178232867,-2.3082807411,0.0,-0.0085739308,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Al-Na-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Al-Na-O-S +mp-1210454,NaAl(SO4)2,-6.689880819,-2.2803382734,0.0279424677,0.0193685369,GGA,Pnma,ABC8D2_oP48_62_c_c_4c2d_2c:Al-Na-O-S,48.0,ABC8D2_oP48_62_c_c_4c2d_2c:Al-Na-O-S +mp-1215165,AlFe3(SO7)6,-5.5327007309,-0.4993302591,0.7804759606,0.7804759606,GGA+U,P-31c,AB3C42D6_hP104_163_b_cf_7i_i:Al-Fe-O-S,104.0,AB3C42D6_hP104_163_b_cf_7i_i:Al-Fe-O-S +mp-1180545,NaAl(SO10)2,-4.9210679797,-0.2429523513,0.9111880193,0.9111880193,GGA,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Al-Na-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Al-Na-O-S +mp-1189579,NaAl3(SO7)2,-6.4778526345,-1.9735629108,0.2954038885,0.2954038885,GGA,R-3m,A3BC14D2_hR60_166_d_a_c2h_c:Al-Na-O-S,20.0,A3BC14D2_hR60_166_d_a_c2h_c:Al-Na-O-S +mp-1102092,NaFe(SO4)2,-6.7571447606,-1.9538984334,0.0,-0.0069129277,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Fe-Na-O-S,48.0,ABC8D2_mC24_12_a_c_2ij_i:Fe-Na-O-S +mp-1210660,NaFe(SO4)2,-6.730858804,-1.9276124767,0.0262859567,0.019373029,GGA+U,Pnma,ABC8D2_oP48_62_c_c_4c2d_2c:Fe-Na-O-S,48.0,ABC8D2_oP48_62_c_c_4c2d_2c:Fe-Na-O-S +mp-1196862,Na2Fe(SO5)2,-6.206902514,-1.6165786045,0.2099610162,0.2099610162,GGA+U,Pnma,AB2C10D2_oP60_62_a_d_6c2d_2c:Fe-Na-O-S,60.0,AB2C10D2_oP60_62_a_d_6c2d_2c:Fe-Na-O-S +mp-1210313,Na8Al12SO28,-6.7380999841,-2.6937970027,0.1419386654,0.1419386654,GGA,P-43m,A12B8C28D_cP49_215_h_2e_e2i_a:Al-Na-O-S,49.0,A12B8C28D_cP49_215_h_2e_e2i_a:Al-Na-O-S +mp-1196866,Na3Fe(SO4)3,-6.4826070674,-2.0506485818,0.0,-0.0018399896,GGA+U,R-3,AB3C12D3_hR114_148_ab_f_4f_f:Fe-Na-O-S,38.0,AB3C12D3_hR114_148_ab_f_4f_f:Fe-Na-O-S +mp-1199224,NaAl(SO7)2,-5.4732648237,-0.8846735563,0.6541802711,0.6541802711,GGA,P2_1/c,ABC14D2_mP72_14_e_e_14e_2e:Al-Na-O-S,72.0,ABC14D2_mP72_14_e_e_14e_2e:Al-Na-O-S +mp-1180605,NaAlS2O19,-5.0644907717,-0.3980522339,0.8062681528000001,0.8062681528000001,GGA,C2/c,ABC19D2_mC92_15_c_a_e9f_f:Al-Na-O-S,46.0,ABC19D2_mC92_15_a_c_e9f_f:Al-Na-O-S +mp-1196841,NaAlS2O19,-4.9978770298,-0.3314384919,0.8728818947,0.8728818947,GGA,C2/c,ABC19D2_mC92_15_c_a_e9f_f:Al-Na-O-S,46.0,ABC19D2_mC92_15_a_c_e9f_f:Al-Na-O-S +mp-1210951,Na2Fe(SO6)2,-5.8488156379,-1.2165664576,0.3950861489,0.3950861489,GGA+U,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Fe-Na-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Fe-Na-O-S +mp-1198416,NaFe(SO7)2,-5.5840892183,-0.7330287631,0.5695701925000001,0.5695701925000001,GGA+U,C2/c,ABC14D2_mC72_15_a_e_7f_f:Fe-Na-O-S,36.0,ABC14D2_mC72_15_c_e_7f_f:Fe-Na-O-S +mp-1210320,Na6Fe(SO4)4,-6.2924626172,-2.1406851425,0.0,-0.0074835004,GGA+U,P2_1/c,AB6C16D4_mP54_14_a_3e_8e_2e:Fe-Na-O-S,54.0,AB6C16D4_mP54_14_a_3e_8e_2e:Fe-Na-O-S +mp-1202597,Na3Fe(SO5)3,-5.9604123821,-1.4582634112,0.312751273,0.312751273,GGA+U,P-3,AB3C15D3_hP132_147_ab2d_3g_15g_3g:Fe-Na-O-S,132.0,AB3C15D3_hP132_147_ab2d_3g_15g_3g:Fe-Na-O-S +mp-1025282,Ti(VTe2)2,-6.1986016871,-0.6790977257,0.0421363504,0.0421363504,GGA,C2/m,A4BC2_mC14_12_2i_a_i:Te-Ti-V,7.0,A4BC2_mC14_12_2i_a_i:Te-Ti-V +mp-1217132,Ti2VTe4,-6.1715987429,-0.8218682176000001,0.031399522,0.031399522,GGA,Cm,A4B2C_mC14_8_4a_2a_a:Te-Ti-V,7.0,A4B2C_mC14_8_4a_2a_a:Te-Ti-V +mp-1025219,Ti2VTe4,-6.1934823271,-0.8437518019,0.0095159377,0.0095159377,GGA,C2/m,A4B2C_mC14_12_2i_i_a:Te-Ti-V,7.0,A4B2C_mC14_12_2i_i_a:Te-Ti-V +mp-1661623,Li4Ti3V3(TeO8)2,-7.7106682982,-2.5675426949,0.0654973508,0.0654973508,GGA+U,P1,A4B16C2D3E3_aP28_1_4a_16a_2a_3a_3a:Li-O-Te-Ti-V,56.0,"Invalid WP multiplicities - A4B16C2D3E3_aP28_1_4a_16a_2a_3a_6a:Li-O-Te-Ti-V, expected Li4Ti3V6(TeO8)2 to be Li4Ti3V3(TeO8)2" +mp-754525,Li4Ti3V3(TeO8)2,-7.7128024529,-2.5696768495,0.0633631962,0.0633631962,GGA+U,Cm,A4B16C2D3E3_mC56_8_4a_8a4b_2a_ab_ab:Li-O-Te-Ti-V,56.0,"Invalid WP multiplicities - A4B16C2D3E3_mC56_8_4a_8a4b_2a_ab_2a2b:Li-O-Te-Ti-V, expected Li4Ti3V6(TeO8)2 to be Li4Ti3V3(TeO8)2" +mp-1519318,KGdHf2O6,-9.976038828,-3.4979356766,0.1877861491,0.1877861491,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Gd-Hf-K-O,10.0,AB2CD6_cF40_225_a_c_b_d:Gd-Hf-K-O +mp-1519404,KGdHf4O12,-5.4717890972,0.8824076718,4.2797390064,4.2797390064,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Gd-Hf-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Gd-Hf-K-O, expected KGdHf4O18 to be KGdHf4O12" +mp-554602,Rb2PdN2(ClO2)2,-5.5873073055,-1.2875102173,0.0355275077,0.0355275077,GGA,Cmce,A2B2C4DE2_oC44_64_f_d_g_a_d:Cl-N-O-Pd-Rb,22.0,A2B2C4DE2_oC44_64_f_d_g_a_d:Cl-N-O-Pd-Rb +mp-555122,Rb2Pd(NO3)4,-6.3902923692,-1.1351768855,0.0,-0.0280117374,GGA,P2_1/c,A4B12CD2_mP38_14_2e_6e_a_e:N-O-Pd-Rb,38.0,"Invalid WP multiplicities - A4B12CD2_mP38_14_3e_18e_a_e:N-O-Pd-Rb, expected Rb2Pd(NO6)6 to be Rb2Pd(NO3)4" +mp-1519983,Eu2YNbO6,-10.020625089,-3.3444338869,0.1076818027,0.1076818027,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Y,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-Y +mp-1517070,CaEuYNbO6,-9.15233637,-3.3012853599,0.1765970193,0.1765970193,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Y,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-Y +mp-2229414,Rb4MgV2(AgS4)2,-4.8269997318,-1.153650354,0.1112278295,0.1112278295,GGA,P1,A2BC4D8E2_aP17_1_2a_a_4a_8a_2a:Ag-Mg-Rb-S-V,17.0,A2BC4D8E2_aP17_1_2a_a_4a_8a_2a:Ag-Mg-Rb-S-V +mp-2224758,Rb4MgV2(AgS4)2,-4.8210303412,-1.1476809634,0.1171972201,0.1171972201,GGA,P-1,A2BC4D8E2_aP17_2_i_a_2i_4i_i:Ag-Mg-Rb-S-V,17.0,"Invalid WP multiplicities - A2BC4D8E2_aP17_2_i_a_3i_8i_i:Ag-Mg-Rb-S-V, expected Rb6MgV2(AgS8)2 to be Rb4MgV2(AgS4)2" +mp-2229308,Rb4MgV2(AgS4)2,-4.7976415012,-1.1242921234,0.1405860601,0.1405860601,GGA,C2,A2BC4D8E2_mC34_5_ab_a_2c_4c_ab:Ag-Mg-Rb-S-V,17.0,"Invalid WP multiplicities - A2BC4D8E2_mC34_5_ab_a_4c_7c_ab:Ag-Mg-Rb-S-V, expected Rb8MgV2(AgS7)2 to be Rb4MgV2(AgS4)2" +mp-8901,Rb2VAgS4,-5.011238655,-1.2083224443,0.0,-0.0512843279,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-Rb-S-V +mp-1021747,RbMg6V,-2.137863135,0.3204019203,0.3343533952,0.3343533952,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Rb-V,8.0,A6BC_oC16_38_2bde_a_a:Mg-Rb-V +mp-1021751,RbMg6V,-2.0072348131,0.4510302422,0.4649817171,0.4649817171,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Rb-V, expected RbMg12V to be RbMg6V" +mp-1028316,RbMg14V,-1.7947075362,0.2345650164,0.2508417372,0.2508417372,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-V, expected RbMg18V to be RbMg14V" +mp-1028310,RbMg14V,-1.8021485019,0.2271240508,0.2434007715,0.2434007715,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-V, expected RbMg26V to be RbMg14V" +mp-1516247,KCaZrSbO6,-7.347502787,-2.8002194906,0.0622920847,0.0622920847,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Sb-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Sb-Zr +mp-1205217,InMoHSeO7,-6.6869420568,-1.6766882076,0.0098876042,0.0098876042,GGA+U,C2/c,ABCD7E_mC88_15_f_f_f_2e6f_f:H-In-Mo-O-Se,44.0,ABCD7E_mC88_15_f_f_f_2e6f_f:H-In-Mo-O-Se +mp-559940,AlS2NCl6,-4.2007814285,-1.0561623836,0.0126739473,0.0126739473,GGA,P2_1/m,AB6CD2_mP40_11_2e_4e4f_f_2f:Al-Cl-N-S,40.0,"Invalid WP multiplicities - AB6CD2_mP40_11_4e_8e13f_f_8f:Al-Cl-N-S, expected Al2S8NCl17 to be AlS2NCl6" +mp-653096,Se2S(NCl)2,-4.5695922788,-0.0698299942,0.2958816022,0.2958816022,GGA,Pbca,A2B2CD2_oP56_61_2c_2c_c_2c:Cl-N-S-Se,56.0,"Invalid WP multiplicities - A2B2CD2_oP56_61_11c_7c_c_7c:Cl-N-S-Se, expected Se7SN7Cl11 to be Se2S(NCl)2" +mp-559231,Se2S(NCl)2,-4.5794843125,-0.0797220279,0.2859895684,0.2859895684,GGA,Pbca,A2B2CD2_oP56_61_2c_2c_c_2c:Cl-N-S-Se,56.0,"Invalid WP multiplicities - A2B2CD2_oP56_61_12c_5c_c_10c:Cl-N-S-Se, expected Se10SN5Cl12 to be Se2S(NCl)2" +mp-1191162,AlNCl4,-3.6486081988,-0.4025719663,0.9079700629,0.9079700629,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Al-Cl-N,24.0,AB4C_oP24_62_c_2cd_c:Al-Cl-N +mp-1182975,Al(NCl)4,-4.0041946933,0.9386611033,1.8123557894,1.8123557894,GGA,C2/m,AB4C4_mC36_12_ad_eh2i_fg2i:Al-Cl-N,18.0,AB4C4_mC36_12_ad_eg2i_fh2i:Al-Cl-N +mp-1104358,Al(NCl)3,-4.2068910479,0.69320475,1.8165264893,1.8165264893,GGA,P-1,AB3C3_aP14_2_bc_3i_3i:Al-Cl-N,14.0,AB3C3_aP14_2_bc_3i_3i:Al-Cl-N +mp-561329,SeS2(NCl)2,-4.68825266,-0.0969848912,0.3363281032,0.3363281032,GGA,P2_1/c,A2B2C2D_mP56_14_4e_4e_4e_2e:Cl-N-S-Se,56.0,"Invalid WP multiplicities - A2B2C2D_mP56_14_10e_14e_15e_3e:Cl-N-S-Se, expected Se3S15(N7Cl5)2 to be SeS2(NCl)2" +mp-559233,SeS4N3Cl5,-4.4394638294,-0.2630115971,0.2034310664,0.2034310664,GGA,P2_1/c,A5B3C4D_mP52_14_5e_3e_4e_e:Cl-N-S-Se,52.0,"Invalid WP multiplicities - A5B3C4D_mP52_14_16e_9e_11e_e:Cl-N-S-Se, expected SeS11N9Cl16 to be SeS4N3Cl5" +mp-572707,SeS4N3Cl5,-4.4342712652,-0.2578190329,0.2086236306,0.2086236306,GGA,P2_12_12_1,A5B3C4D_oP52_19_5a_3a_4a_a:Cl-N-S-Se,52.0,"Invalid WP multiplicities - A5B3C4D_oP52_19_16a_10a_14a_a:Cl-N-S-Se, expected SeS14(N5Cl8)2 to be SeS4N3Cl5" +mp-628633,Se2SN2Cl,-4.8571431187,0.0844901033,0.3372560167,0.3372560167,GGA,Pbca,AB2CD2_oP48_61_c_2c_c_2c:Cl-N-S-Se,48.0,"Invalid WP multiplicities - AB2CD2_oP48_61_c_11c_c_7c:Cl-N-S-Se, expected Se7SN11Cl to be Se2SN2Cl" +mp-1214856,AlSNCl3,-4.8526454771,-1.2252903768,0.0852516524,0.0852516524,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:Al-Cl-N-S,24.0,AB3CD_mP24_14_e_3e_e_e:Al-Cl-N-S +mp-557272,AlS2(NCl2)2,-4.8693630592,-0.8598506087000001,0.1191820322,0.1191820322,GGA,P2_1/c,AB4C2D2_mP36_14_e_4e_2e_2e:Al-Cl-N-S,36.0,"Invalid WP multiplicities - AB4C2D2_mP36_14_e_14e_6e_5e:Al-Cl-N-S, expected AlS5(N3Cl7)2 to be AlS2(NCl2)2" +mp-556831,AlSeS2N2Cl5,-4.5917674977,-0.8253983894,0.1734169372,0.1734169372,GGA,P2_1/c,AB5C2D2E_mP44_14_e_5e_2e_2e_e:Al-Cl-N-S-Se,44.0,"Invalid WP multiplicities - AB5C2D2E_mP44_14_e_18e_7e_5e_e:Al-Cl-N-S-Se, expected AlSeS5N7Cl18 to be AlSeS2N2Cl5" +mp-558270,AlS5N5Cl4,-5.3167385163,-0.4164420876,0.1709774969,0.1709774969,GGA,Pnma,AB4C5D5_oP120_62_2c_4c2d_5d_5d:Al-Cl-N-S,120.0,"Invalid WP multiplicities - AB4C5D5_oP120_62_4c_15c14d_34d_34d:Al-Cl-N-S, expected Al4S68N68Cl43 to be AlS5N5Cl4" +mp-559963,AlS2NCl4,-4.5299688206,-1.0613291795,0.0400825415,0.0400825415,GGA,Pnma,AB4CD2_oP32_62_c_2cd_c_2c:Al-Cl-N-S,32.0,"Invalid WP multiplicities - AB4CD2_oP32_62_c_7c6d_c_5c:Al-Cl-N-S, expected AlS5NCl19 to be AlS2NCl4" +mp-558865,SeS4(NCl)3,-4.7047703866,-0.1050607775,0.314365295,0.314365295,GGA,P2_1/c,A3B3C4D_mP88_14_6e_6e_8e_2e:Cl-N-S-Se,88.0,"Invalid WP multiplicities - A3B3C4D_mP88_14_22e_21e_29e_4e:Cl-N-S-Se, expected Se4S29N21Cl22 to be SeS4(NCl)3" +mp-1048385,YMn3Se2ClO8,-7.5299199593,-2.0388275397,0.0471823786,0.0471823786,GGA+U,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Mn-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Mn-O-Se-Y, expected YMn5Se2ClO22 to be YMn3Se2ClO8" +mp-1233182,Sm2MgMo2(I4O15)2,-6.0162565972,-1.5298299768,0.0224218775,0.0224218775,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1233530,Sm2MgMo2(I4O15)2,-5.9921564051,-1.5057297847000002,0.0465220696,0.0465220696,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1234155,Sm2MgMo2(I4O15)2,-5.995457783,-1.5090311626,0.0432206917,0.0432206917,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1234515,Sm2MgMo2(I4O15)2,-5.9877486937,-1.5013220733,0.050929781,0.050929781,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1234521,Sm2MgMo2(I4O15)2,-5.9840487595,-1.4976221391,0.0546297152,0.0546297152,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1235004,Sm2MgMo2(I4O15)2,-5.9797159895,-1.4932893691,0.0589624852,0.0589624852,GGA+U,P1,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm,43.0,A8BC2D30E2_aP43_1_8a_a_2a_30a_2a:I-Mg-Mo-O-Sm +mp-1203712,SmMoI4O15,-5.9344197031,-1.3792753072,0.0358917746,0.0358917746,GGA+U,P2_1,A4BC15D_mP42_4_4a_a_15a_a:I-Mo-O-Sm,42.0,A4BC15D_mP42_4_4a_a_15a_a:I-Mo-O-Sm +mp-1192153,LiDy(WO4)2,-8.6649073713,-2.6644507165,0.0,-0.0044511802,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Dy-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Dy-Li-O-W +mp-1212166,LiEu(WO4)2,-8.9445470492,-2.4732391478,0.009346561,0.009346561,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Eu-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Eu-Li-O-W +mp-1222503,LiEu(WO4)2,-8.8797573242,-2.4084494228,0.074136286,0.074136286,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Eu-Li-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Eu-Li-O-W, expected LiEu(WO6)2 to be LiEu(WO4)2" +mp-1522003,BaLaEuWO6,-7.2947812067,-1.3197565725,1.7896230426000002,1.7896230426000002,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Eu-La-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Eu-La-O-W, expected BaLaEu2WO12 to be BaLaEuWO6" +mp-1521896,BaLaEuWO6,-8.898885559,-2.9238609248,0.1855186904,0.1855186904,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-La-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-La-O-W +mp-2220371,Lu2MgW2(ClO4)2,-8.063791286,-2.7418563153,0.12773715,0.12773715,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Cl-Lu-Mg-O-W,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Cl-Lu-Mg-O-W +mp-2230029,Lu6MgWO12,-8.639653917,-3.5874350202,0.1413162753,0.1413162753,GGA+U,P1,A6BC12D_aP20_1_6a_a_12a_a:Lu-Mg-O-W,20.0,A6BC12D_aP20_1_6a_a_12a_a:Lu-Mg-O-W +mp-2230036,Lu6MgWO12,-8.634726835,-3.5825079382,0.1462433573,0.1462433573,GGA+U,R3,A6BC12D_hR60_146_2b_a_4b_a:Lu-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_146_6b_a_12b_a:Lu-Mg-O-W, expected Lu18MgWO36 to be Lu6MgWO12" +mp-2229986,Lu6MgWO12,-8.7087937355,-3.6565748387,0.0721764568,0.0721764568,GGA+U,R-3,A6BC12D_hR60_148_f_a_2f_b:Lu-Mg-O-W,20.0,"Invalid WP multiplicities - A6BC12D_hR60_148_f_a_7f_b:Lu-Mg-O-W, expected Lu6MgWO42 to be Lu6MgWO12" +mp-1206615,LuCuTe2,-4.7032481950000005,-0.9765559508,0.0892093375,0.0892093375,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Lu-Te,4.0,ABC2_hP4_164_a_b_d:Cu-Lu-Te +mp-642315,Lu6CuTe2,-4.8729547314,-0.7050078895,0.0,-0.0450902922,GGA,Pnma,AB6C2_oP36_62_c_6c_2c:Cu-Lu-Te,36.0,"Invalid WP multiplicities - AB6C2_oP36_62_c_21c_6c:Cu-Lu-Te, expected Lu21CuTe6 to be Lu6CuTe2" +mp-1190203,Lu2CuTe2(SO7)2,-6.9179657290000005,-2.3010961487,0.0089260185,0.0089260185,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Lu-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Lu-O-S-Te +mp-19943,YCuSb2,-5.4178002638,-0.7118801979,0.0,-0.044092095,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Cu-Sb-Y,8.0,AB2C_tP8_129_a_bc_c:Cu-Sb-Y +mp-1045602,YCu3(SbO3)4,-6.4308705875,-1.6988525566,0.1750824956,0.1750824956,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sb-Y,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sb-Y +mp-1106051,Y3Cu3Sb4,-5.6226495545,-0.8013457235,0.0,-0.014533467,GGA,I-43d,A3B4C3_cI40_220_a_c_b:Cu-Sb-Y,20.0,A3B4C3_cI40_220_a_c_b:Cu-Sb-Y +mp-1042151,BaYCuSbO5,-6.9720320778,-2.3779101312,0.2989939533,0.2989939533,GGA,P4mm,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Sb-Y,9.0,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Sb-Y +mp-1523371,Sr2HfWO6,-8.716458683,-3.1190148396,0.1131895418,0.1131895418,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-W +mp-1522396,SrCaHfWO6,-8.69023404,-3.0611795539,0.1888158627,0.1888158627,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-W +mp-1516967,NaEuZrWO6,-9.11728923,-2.8407402079,0.0662805824,0.0662805824,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-W-Zr +mp-1522468,SrMgInWO6,-7.301265916,-2.4332939429,0.1763694175,0.1763694175,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:In-Mg-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:In-Mg-O-Sr-W +mp-770630,RbLi2Cr2(BO3)3,-7.7347523094,-2.5192906353,0.1008735786,0.1008735786,GGA+U,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Cr-Li-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_e2g_g_g_e8g_f:B-Cr-Li-O-Rb, expected RbLi2Cr2B5O17 to be RbLi2Cr2(BO3)3" +mp-768542,LiCrB2O5,-8.1519092794,-2.6347762312,0.0498466155,0.0498466155,GGA+U,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Cr-Li-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_3e_e_e_19e:B-Cr-Li-O, expected LiCrB3O19 to be LiCrB2O5" +mp-768509,LiCrB2O5,-8.1172158124,-2.6000827641,0.0845400826,0.0845400826,GGA+U,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Cr-Li-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_7e_7e_3e_39e:B-Cr-Li-O, expected Li3Cr7B7O39 to be LiCrB2O5" +mp-772644,Li6Cr(BO3)3,-7.033965743,-2.5252837228,0.079669851,0.079669851,GGA+U,P2_1/c,A3BC6D9_mP76_14_3e_e_6e_9e:B-Cr-Li-O,76.0,"Invalid WP multiplicities - A3BC6D9_mP76_14_9e_e_23e_33e:B-Cr-Li-O, expected Li23Cr(B3O11)3 to be Li6Cr(BO3)3" +mp-772573,Li2Cr5B3O13,-8.4024788357,-2.4708174599,0.086402454,0.086402454,GGA+U,P2_1/m,A3B5C2D13_mP46_11_3e_5e_2e_13e:B-Cr-Li-O,46.0,"Invalid WP multiplicities - A3B5C2D13_mP46_11_5e_9e_3e_25e:B-Cr-Li-O, expected Li3Cr9(BO5)5 to be Li2Cr5B3O13" +mp-772433,Li2Cr(BO2)5,-8.0306348797,-2.6787049258,0.079167401,0.079167401,GGA+U,P2_1/c,A5BC2D10_mP72_14_5e_e_2e_10e:B-Cr-Li-O,72.0,"Invalid WP multiplicities - A5BC2D10_mP72_14_9e_e_3e_27e:B-Cr-Li-O, expected Li3Cr(BO3)9 to be Li2Cr(BO2)5" +mp-768552,LiCrBO3,-7.9511279898,-2.4375566163,0.0501977486,0.0501977486,GGA+U,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Cr-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Cr-Li-O +mp-768711,LiCrBO3,-7.9507885538,-2.4372171802,0.0505371847,0.0505371847,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:B-Cr-Li-O,24.0,ABCD3_aP12_2_i_i_i_3i:B-Cr-Li-O +mp-754133,LiCrBO3,-7.9591351017,-2.4455637281,0.0421906367,0.0421906367,GGA+U,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Cr-Li-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Cr-Li-O +mp-752710,Li3CrB4O9,-7.7160144362,-2.62086258,0.0915511449,0.0915511449,GGA+U,P2_1/m,A4BC3D9_mP34_11_2ef_e_ef_3e3f:B-Cr-Li-O,34.0,"Invalid WP multiplicities - A4BC3D9_mP34_11_4ef_e_e2f_6e5f:B-Cr-Li-O, expected Li5Cr(B3O8)2 to be Li3CrB4O9" +mp-18741,RbLiCrO4,-6.7098375886,-2.0913719808,0.0,-0.0160863227,GGA+U,P31c,ABC4D_hP14_159_b_b_bc_a:Cr-Li-O-Rb,14.0,"Invalid WP multiplicities - ABC4D_hP14_159_b_b_b2c_a:Cr-Li-O-Rb, expected RbLiCrO7 to be RbLiCrO4" +mp-19251,RbLiCrO4,-6.7096026529,-2.0911370451,0.0002349357,-0.015851387,GGA+U,P6_3,ABC4D_hP14_173_b_b_bc_a:Cr-Li-O-Rb,14.0,"Invalid WP multiplicities - ABC4D_hP14_173_b_b_b2c_a:Cr-Li-O-Rb, expected RbLiCrO7 to be RbLiCrO4" +mp-759279,Li9Cr4(BO3)8,-7.5699284324,-2.5044137899,0.0840774774,0.0840774774,GGA+U,P1,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Cr-Li-O,45.0,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Cr-Li-O +mp-758885,Li9Cr4(BO3)8,-7.5490896504,-2.4835750079,0.1049162594,0.1049162594,GGA+U,P1,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Cr-Li-O,45.0,A8B4C9D24_aP45_1_8a_4a_9a_24a:B-Cr-Li-O +mp-756530,Li3Cr(BO3)2,-7.4430877612,-2.5748601047,0.0539770208,0.0539770208,GGA+U,P-1,A2BC3D6_aP24_2_2i_i_3i_6i:B-Cr-Li-O,48.0,A2BC3D6_aP24_2_2i_i_3i_6i:B-Cr-Li-O +mp-760283,Li3Cr(BO3)2,-7.468713511,-2.6004858544,0.028351271,0.028351271,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Cr-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_9e_21e:B-Cr-Li-O, expected Li9Cr(BO3)7 to be Li3Cr(BO3)2" +mp-760261,Li3Cr(BO3)2,-7.4608752719,-2.5926476153,0.0361895102,0.0361895102,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Cr-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_3e_e_9e_24e:B-Cr-Li-O, expected Li9Cr(BO8)3 to be Li3Cr(BO3)2" +mp-768521,Li3CrBO5,-7.0358731142,-2.3566079745,0.1018639682,0.1018639682,GGA+U,Pna2_1,ABC3D5_oP40_33_a_a_3a_5a:B-Cr-Li-O,40.0,"Invalid WP multiplicities - ABC3D5_oP40_33_a_a_6a_10a:B-Cr-Li-O, expected Li6CrBO10 to be Li3CrBO5" +mp-774888,Li4Cr3Cu3(WO8)2,-7.4763395043,-1.9779204426,0.5737027291,0.5737027291,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Cu-Li-O-W,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Cu-Li-O-W, expected Li4Cr3Cu3(WO10)2 to be Li4Cr3Cu3(WO8)2" +mp-1235434,LiCr2Cu2(WO4)4,-8.3641951328,-1.9484762749,0.5012506701,0.5012506701,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Cr-Cu-Li-O-W,25.0,"Invalid WP multiplicities - A2B2CD16E4_mC50_5_ab_ab_a_16c_4c:Cr-Cu-Li-O-W, expected LiCr2Cu2(WO4)8 to be LiCr2Cu2(WO4)4" +mp-1236608,LiCr2Cu2(WO4)4,-8.3805616308,-1.9648427729,0.4848841721,0.4848841721,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Cr-Cu-Li-O-W,25.0,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Cr-Cu-Li-O-W +mp-1213744,CrCu(WO4)2,-8.5887863533,-1.9852843292,0.4613123508,0.4613123508,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Cr-Cu-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Cr-Cu-O-W +mp-684894,Ce8Fe8As8O7F,-7.6039151147,-1.6965360489,0.2199475632,0.2199475632,GGA+U,I-4m2,A8B8CD8E7_tI64_119_2i_2i_a_cdeh_bfg:As-Ce-F-Fe-O,32.0,"Invalid WP multiplicities - A8B8CD8E7_tI64_119_5i_5i_a_cd2e2h_b2f2g:As-Ce-F-Fe-O, expected Ce20Fe14As20O13F to be Ce8Fe8As8O7F" +mp-605060,CeFeAsO,-7.703589495,-1.7013601247,0.2072595166,0.2072595166,GGA+U,P4mm,ABCD_tP8_99_ab_ab_c_c:As-Ce-Fe-O,8.0,ABCD_tP8_129_c_c_a_b:As-Ce-Fe-O +mp-1079570,CeFeAsO,-7.702869365,-1.7006399947,0.2079796466,0.2079796466,GGA+U,P4/nmm,ABCD_tP8_129_c_c_a_b:As-Ce-Fe-O,8.0,ABCD_tP8_129_c_c_a_b:As-Ce-Fe-O +mp-1201951,CeAsO5F,-6.8859304469,-2.2312891864,0.2595382527,0.2595382527,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:As-Ce-F-O,32.0,ABCD5_mP32_14_e_e_e_5e:As-Ce-F-O +mp-1193745,CeAsO4F,-7.4595801264,-2.8466599304,0.0,-0.077875276,GGA,Pnma,ABCD4_oP28_62_c_c_c_2cd:As-Ce-F-O,28.0,ABCD4_oP28_62_c_c_c_2cd:As-Ce-F-O +mp-1213887,Ce2FeAs2O,-6.0728932383,-0.3060390648,1.442782946,1.442782946,GGA+U,P4/mmm,A2B2CD_tP6_123_g_g_a_b:As-Ce-Fe-O,6.0,A2B2CD_tP6_123_g_g_a_b:As-Ce-Fe-O +mp-1021509,Ce(FeAs3)4,-6.0443590571,-0.4136181832,0.0,-0.0522802393,GGA,Im-3,A12BC4_cI34_204_g_a_c:As-Ce-Fe,17.0,A12BC4_cI34_204_g_a_c:As-Ce-Fe +mp-1183016,Ag3As2C3Se5N,-4.9516956779,0.1424438658,0.3796544617,0.3796544617,GGA,P-1,A3B2C3DE5_aP28_2_3i_2i_3i_i_5i:Ag-As-C-N-Se,28.0,A3B2C3DE5_aP28_2_3i_2i_3i_i_5i:Ag-As-C-N-Se +mp-1522736,KSrEuSeO6,-6.861240933,-2.2379471385,0.1450215426,0.1450215426,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Eu-K-O-Se-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Eu-K-O-Se-Sr +mp-1521124,KNa(BiO3)2,-5.483387469,-1.5039839922,0.0871279378,0.0871279378,GGA,Pmn2_1,A2BCD6_oP20_31_b_a_a_2a2b:Bi-K-Na-O,,"Invalid WP multiplicities - A2BCD6_oP20_31_b_a_a_2a3b:Bi-K-Na-O, expected KNa(BiO4)2 to be KNa(BiO3)2" +mp-1521087,KNa(BiO3)2,-5.457300012,-1.4778965352,0.1132153948,0.1132153948,GGA,Cmmm,A2BCD6_oC20_65_f_a_b_ehj:Bi-K-Na-O,10.0,A2BCD6_oC20_65_f_a_b_ehj:Bi-K-Na-O +mp-1521267,KNa(BiO3)2,-5.416408558,-1.4370050812,0.1541068488,0.1541068488,GGA,P4/mmm,A2BCD6_tP10_123_g_c_d_abi:Bi-K-Na-O,10.0,"Invalid WP multiplicities - A2BCD6_tP10_123_g_c_d_ab2i:Bi-K-Na-O, expected KNa(BiO5)2 to be KNa(BiO3)2" +mp-631473,KTi2Bi,-4.4652578875,0.7202101401000001,0.9200950681,0.9200950681,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Bi-K-Ti,4.0,ABC2_cF16_225_a_b_c:Bi-K-Ti +mp-1223404,KNaTi4(BiO6)2,-7.870627591,-2.8178208359,0.0443440563,0.0443440563,GGA,Cm,A2BCD12E4_mC40_8_2a_a_a_4a4b_4a:Bi-K-Na-O-Ti,20.0,"Invalid WP multiplicities - A2BCD12E4_mC40_8_2a_a_a_4a8b_4a:Bi-K-Na-O-Ti, expected KNaTi4(BiO10)2 to be KNaTi4(BiO6)2" +mp-1223389,KNaTi4(BiO6)2,-7.8902404085,-2.8374336534,0.0247312388,0.0247312388,GGA,Amm2,A2BCD12E4_oC40_38_ab_a_b_2cdef_f:Bi-K-Na-O-Ti,20.0,"Invalid WP multiplicities - A2BCD12E4_oC40_38_ab_a_b_4cdef_f:Bi-K-Na-O-Ti, expected KNaTi4(BiO8)2 to be KNaTi4(BiO6)2" +mp-1521139,KNa(BiO3)4,-5.4378105328,-1.1514135719,0.2249132944,0.2249132944,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Bi-K-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Bi-K-Na-O, expected KNa(Bi2O9)2 to be KNa(BiO3)4" +mp-560767,KNaTiO3,-6.9884516267,-2.7937045615,0.0,-0.0306469603,GGA,C2/c,ABC3D_mC24_15_e_e_ef_e:K-Na-O-Ti,12.0,ABC3D_mC24_15_e_e_ef_e:K-Na-O-Ti +mp-1223218,KTi2BiO6,-7.781479928,-2.7392794902,0.1278703361,0.1278703361,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Bi-K-O-Ti,10.0,ABC6D2_cF40_225_a_b_d_c:Bi-K-O-Ti +mp-1201856,Cs3NpH8O9,-6.0251939948,-1.8682419205,0.0,-0.0390614149,GGA,C2/c,A3B8CD9_mC84_15_ef_4f_c_e4f:Cs-H-Np-O,42.0,A3B8CD9_mC84_15_ef_4f_c_e4f:Cs-H-Np-O +mp-1233582,Cs6MgNp2(H8O9)2,-5.9762397365,-1.8787451512,0.0521747735,0.0521747735,GGA,C2,A6B16CD2E18_mC86_5_ab2c_8c_a_c_ab8c:Cs-H-Mg-Np-O,43.0,A6B16CD2E18_mC86_5_ab2c_8c_a_c_ab8c:Cs-H-Mg-Np-O +mp-1225773,Fe2Cu3(CN)12,-7.6397774559,0.6367600421,0.6801582266,0.6801582266,GGA,P-4m2,A12B3C2D12_tP29_115_2gl_ag_g_2gl:C-Cu-Fe-N,29.0,"Invalid WP multiplicities - A12B3C2D12_tP29_115_4g3l_ag_g_4g3l:C-Cu-Fe-N, expected Fe2Cu3(CN)32 to be Fe2Cu3(CN)12" +mp-1212869,Fe(CuC6)2,-6.5008842327,1.9932771313,1.9932771313,1.9932771313,GGA,F-43m,A12B2C_cF60_216_2f_ac_b:C-Cu-Fe,15.0,A12B2C_cF60_216_2f_ac_b:C-Cu-Fe +mp-20484,Li2FeCu(CN)6,-7.4777527969,0.1333744605,0.4307292855,0.4307292855,GGA,Fm-3m,A6BCD2E6_cF64_225_e_a_b_c_e:C-Cu-Fe-Li-N,16.0,A6BCD2E6_cF64_225_e_a_b_c_e:C-Cu-Fe-Li-N +mp-22413,FeCu2(CN)6,-7.5972454327,0.5400477043,0.5819992827,0.5819992827,GGA,F-43m,A6B2CD6_cF60_216_f_ac_b_f:C-Cu-Fe-N,15.0,A6B2CD6_cF60_216_f_ac_b_f:C-Cu-Fe-N +mp-726328,FeCu(C3N4)2,-7.4314209931,0.9831527716,1.0224823762,1.0224823762,GGA,Fm-3m,A6BCD8_cF64_225_e_a_b_ce:C-Cu-Fe-N,16.0,A6BCD8_cF64_225_e_a_b_ce:C-Cu-Fe-N +mp-1247500,Fe2CuN2,-7.556816048,-0.01436826,0.23734121,0.23734121,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cu-Fe-N,5.0,AB2C2_tI10_139_a_d_e:Cu-Fe-N +mp-1246758,Fe2CuN2,-7.58216546,-0.039717672,0.211991798,0.211991798,GGA,P-3m1,AB2C2_hP5_164_a_d_c:Cu-Fe-N,5.0,AB2C2_hP5_164_a_d_c:Cu-Fe-N +mp-1246140,Fe10CuN8,-8.1408774442,0.0428793016,0.3080274529,0.3080274529,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Cu-Fe-N,19.0,AB10C8_mC38_12_a_5i_4i:Cu-Fe-N +mp-1198923,Cd2AsHO5,-5.4443203297,-1.5964239378,0.0,-0.0243423095,GGA,P2_1/c,AB2CD5_mP144_14_4e_8e_4e_20e:As-Cd-H-O,144.0,AB2CD5_mP144_14_4e_8e_4e_20e:As-Cd-H-O +mp-1195662,CdCoAsHO5,-6.0128661914,-1.4777000179,0.0778154979,0.0778154979,GGA+U,Pnma,ABCDE5_oP36_62_c_c_a_c_3cd:As-Cd-Co-H-O,36.0,ABCDE5_oP36_62_c_c_a_c_3cd:As-Cd-Co-H-O +mp-1097432,Hf2InMo,-4.9374311875,3.4404967875,3.5517587338,3.5517587338,GGA,Immm,A2BC_oI8_71_e_a_b:Hf-In-Mo,4.0,A2BC_oI8_71_e_a_b:Hf-In-Mo +mp-1224533,K5HfIn(MoO4)6,-7.7357771109,-2.2748231319,0.000873588,-0.0005942052,GGA+U,R3,ABC5D6E24_hR222_146_2a_2a_4a2b_4b_16b:Hf-In-K-Mo-O,74.0,ABC5D6E24_hR222_146_2a_2a_4a2b_4b_16b:Hf-In-K-Mo-O +mp-695069,K5HfIn(MoO4)6,-7.7366506989,-2.2756967199,0.0,-0.0014677932,GGA+U,R-3c,ABC5D6E24_hR222_167_b_a_ce_f_4f:Hf-In-K-Mo-O,74.0,"Invalid WP multiplicities - ABC5D6E24_hR222_167_b_a_2ce_f_31f:Hf-In-K-Mo-O, expected K7HfIn(MoO31)6 to be K5HfIn(MoO4)6" +mp-555607,K8Hf(MoO4)6,-7.524027951,-2.3282635834,0.0,-0.0153112897,GGA+U,P2_1/c,AB8C6D24_mP78_14_a_4e_3e_12e:Hf-K-Mo-O,78.0,"Invalid WP multiplicities - AB8C6D24_mP78_14_a_12e_11e_45e:Hf-K-Mo-O, expected K24Hf(Mo11O45)2 to be K8Hf(MoO4)6" +mp-1188322,V2Cu3Sb4,-5.3717975594,-0.1516378806,0.0,-0.0241762917,GGA,P6_3/mmc,A3B4C2_hP18_194_g_ch_ad:Cu-Sb-V,18.0,A3B4C2_hP18_194_g_ch_ad:Cu-Sb-V +mp-771157,Li4V3Cu3(SbO8)2,-6.7791066654000005,-1.9723191101,0.0700175689,0.0700175689,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Sb-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Sb-V +mp-1518992,KZrGeBiO6,-7.137906797,-2.357731914,0.1930691835,0.1930691835,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Ge-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Ge-K-O-Zr +mp-1043764,TiBi(PO4)3,-7.6620766435,-2.524655867,0.0725760214,0.0725760214,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Bi-O-P-Ti,34.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_18b_b_a:Bi-O-P-Ti, expected TiBi(PO18)3 to be TiBi(PO4)3" +mp-554906,Zn2BiPO6,-6.282229542,-2.1368884296,0.0325636505,0.0325636505,GGA,Pnma,AB6CD2_oP40_62_c_2c2d_c_2c:Bi-O-P-Zn,40.0,"Invalid WP multiplicities - AB6CD2_oP40_62_c_8c9d_c_4c:Bi-O-P-Zn, expected Zn4BiPO26 to be Zn2BiPO6" +mp-768296,Ti3Bi2(PO4)6,-7.961497020899999,-2.7452742089,0.0790101772,0.0790101772,GGA,R3,A2B24C6D3_hR105_146_2a_8b_2b_3a:Bi-O-P-Ti,35.0,"Invalid WP multiplicities - A2B24C6D3_hR105_146_2a_18b_2b_3a:Bi-O-P-Ti, expected Ti3Bi2(PO9)6 to be Ti3Bi2(PO4)6" +mp-645375,ZnBi6P2O15,-6.625548854,-2.0701482676,0.0,-0.0120700364,GGA,C2,A6B15C2D_mC96_5_6c_2a14c_2c_c:Bi-O-P-Zn,48.0,"Invalid WP multiplicities - A6B15C2D_mC96_5_11c_2a26c_2c_c:Bi-O-P-Zn, expected ZnBi11P2O27 to be ZnBi6P2O15" +mp-1208225,TiBi6(PO8)2,-7.1021048824,-2.2656228348,0.0,-0.0028464241,GGA,C2,A6B16C2D_mC50_5_3c_2a7c_c_b:Bi-O-P-Ti,25.0,A6B16C2D_mC50_5_3c_2a7c_c_b:Bi-O-P-Ti +mp-1043490,ZnBi2(PO5)2,-6.3446119547,-1.7289976883,0.4469909814,0.4469909814,GGA,Fdd2,A2B10C2D_oF120_43_b_5b_b_a:Bi-O-P-Zn,30.0,"Invalid WP multiplicities - A2B10C2D_oF120_43_b_13b_b_a:Bi-O-P-Zn, expected ZnBi2(PO13)2 to be ZnBi2(PO5)2" +mp-1201539,ZnBi4(PO6)2,-6.7311002058,-2.1622281175,0.0041768422,0.0041768422,GGA,C2/c,A4B12C2D_mC608_15_16f_4e46f_8f_4f:Bi-O-P-Zn,304.0,A4B12C2D_mC608_15_16f_4e46f_8f_4f:Bi-O-P-Zn +mp-1044783,ZnBi2P2O9,-6.7657382161,-2.1737721243,0.1576443075,0.1576443075,GGA,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Bi-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Bi-O-P-Zn, expected ZnBi2P2O11 to be ZnBi2P2O9" +mp-1043818,TiZnBi(PO4)3,-7.4866106367,-2.5646163694,0.1065611548,0.1065611548,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Bi-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Bi-O-P-Ti-Zn, expected TiZnBi(PO18)3 to be TiZnBi(PO4)3" +mp-1041188,ZnBi3P3O13,-6.8772970475,-2.2108934592,0.1475170313,0.1475170313,GGA,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Bi-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Bi-O-P-Zn, expected ZnBi5P3O34 to be ZnBi3P3O13" +mp-1356795,Zn3Bi2(PO6)2,-6.2651981229,-1.9679834577,0.1270676519,0.1270676519,GGA,Pm,A2B12C2D3_mP38_6_2a2b_4a4b8c_2a2b_2a4b:Bi-O-P-Zn,38.0,"Invalid WP multiplicities - A2B12C2D3_mP38_6_2a2b_4a4b15c_2a2b_2a4b:Bi-O-P-Zn, expected Zn3Bi2P2O19 to be Zn3Bi2(PO6)2" +mp-1044342,TiZnMo(PO4)3,-7.9482082575,-2.6370383802,0.0124821942,0.0124821942,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mo-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mo-O-P-Ti-Zn, expected TiZnMo(PO18)3 to be TiZnMo(PO4)3" +mp-1093964,Ti2ZnMo,-3.918358855,3.0557355833,3.2153208767,3.2153208767,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Mo-Ti-Zn +mp-1521745,NaSrEuWO6,-8.166823433,-2.5760951286,0.1742448914,0.1742448914,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Na-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Na-O-Sr-W +mp-1517020,NaSrEuWO6,-8.242985096,-2.6522567916,0.0980832284,0.0980832284,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Eu-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Eu-Na-O-Sr-W +mp-2232200,Cs2MgMo2(O2F3)2,-6.3681996473,-2.6123320697,0.1668577363,0.1668577363,GGA+U,C2,A2B6CD2E4_mC30_5_c_3c_a_c_2c:Cs-F-Mg-Mo-O,15.0,A2B6CD2E4_mC30_5_c_3c_a_c_2c:Cs-F-Mg-Mo-O +mp-2232268,Cs2MgMo2(O2F3)2,-6.3572358187,-2.6013682411,0.1778215649,0.1778215649,GGA+U,C2/m,A2B6CD2E4_mC30_12_i_e2i_a_i_j:Cs-F-Mg-Mo-O,15.0,A2B6CD2E4_mC30_12_i_f2i_a_i_j:Cs-F-Mg-Mo-O +mp-1213368,EuCu(WO4)2,-8.9030972537,-2.2492657021,0.0,-0.0070813743,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Cu-Eu-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:Cu-Eu-O-W +mp-1518179,BaNaNdWO6,-7.921155947,-2.8563649307,0.0312630667,0.0312630667,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Na-Nd-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Na-Nd-O-W, expected BaNa2NdWO12 to be BaNaNdWO6" +mp-1518258,BaNaNdWO6,-7.90671148,-2.8419204637,0.0457075337,0.0457075337,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Na-Nd-O-W +mp-1519207,Ba2NdWO6,-8.177603665,-3.053167684,0.0,-0.0040657932,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-W +mp-1519264,Ba2NdWO6,-8.114684892,-2.990248911,0.062918773,0.0588529798,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-W +mp-552260,Co3C2(SeO5)2,-7.0626430776,-1.4014081107,0.0843412202,0.0843412202,GGA+U,C2/m,A2B3C10D2_mC34_12_i_ai_3ij_i:C-Co-O-Se,34.0,"Invalid WP multiplicities - A2B3C10D2_mC34_12_i_2a2i_3ij_i:C-Co-O-Se, expected Co3CSeO5 to be Co3C2(SeO5)2" +mp-1199318,Co2SnC8SeO8,-7.5586511189,-0.8024034912,0.3859075542,0.3859075542,GGA+U,Fddd,A8B2C8DE_oF320_70_4h_h_4h_e_f:C-Co-O-Se-Sn,80.0,A8B2C8DE_oF320_70_4h_h_4h_e_f:C-Co-O-Se-Sn +mp-706566,Co6C13(SeO6)2,-7.5336448276,-0.5950192014,0.4806687332,0.4806687332,GGA+U,Cc,A13B6C12D2_mC132_9_13a_6a_12a_2a:C-Co-O-Se,66.0,"Invalid WP multiplicities - A13B6C12D2_mC132_9_26a_12a_24a_2a:C-Co-O-Se, expected Co6C13SeO12 to be Co6C13(SeO6)2" +mp-745113,Co3C9SeO9,-7.6782304811,-0.7510008131,0.421771211,0.421771211,GGA+U,P-1,A9B3C9D_aP44_2_9i_3i_9i_i:C-Co-O-Se,44.0,A9B3C9D_aP44_2_9i_3i_9i_i:C-Co-O-Se +mp-1518900,NaSrYFeO6,-6.999696346,-2.2368320122,0.1408917124,0.1408917124,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Sr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Sr-Y +mp-1048426,Ba2YNi3O7,-6.9740665885,-2.1839395106,0.0541044487,0.0541044487,GGA+U,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Ni-O-Y,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Ni-O-Y +mp-1297710,Ba2YNi3O7,-6.9581345215,-2.1680074437,0.0700365156,0.0700365156,GGA+U,Cmmm,A2B3C7D_oC52_65_m_abkl_gklno_f:Ba-Ni-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oC52_65_m_abkl_g2klno_f:Ba-Ni-O-Y, expected Ba2YNi3O8 to be Ba2YNi3O7" +mp-1297680,Ba2YNi3O7,-6.9586849527,-2.1685578748,0.0694860844,0.0694860844,GGA+U,Fmmm,A2B3C7D_oF104_69_j_ab2i_g2imn_f:Ba-Ni-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oF104_69_j_ab4i_g4imn_f:Ba-Ni-O-Y, expected Ba2YNi5O9 to be Ba2YNi3O7" +mp-1301981,Ba2YNi3O7,-6.9593268823,-2.1691998045,0.0688441548,0.0688441548,GGA+U,Fmmm,A2B3C7D_oF104_69_j_ab2i_g2imn_f:Ba-Ni-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oF104_69_j_ab4i_g4imn_f:Ba-Ni-O-Y, expected Ba2YNi5O9 to be Ba2YNi3O7" +mp-1048252,Ba3Y5(NiO5)3,-7.7904001338,-2.8046300917,0.1019776464,0.1019776464,GGA+U,Cm,A3B3C15D5_mC52_8_3a_3a_3a6b_5a:Ba-Ni-O-Y,26.0,"Invalid WP multiplicities - A3B3C15D5_mC52_8_3a_3a_3a11b_5a:Ba-Ni-O-Y, expected Ba3Y5Ni3O25 to be Ba3Y5(NiO5)3" +mp-1048131,Ba2YNi3O8,-6.8773496493,-2.0760395976,0.0748243759,0.0748243759,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Ni-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Ni-O-Y, expected Ba2YNi5O16 to be Ba2YNi3O8" +mp-19325,BaY2NiO5,-8.1424610278,-3.1018502052,0.0135643711,0.0135643711,GGA+U,Immm,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Y,9.0,ABC5D2_oI18_71_a_b_cm_f:Ba-Ni-O-Y +mp-1046397,Ba2YTlNi2O7,-6.6640847146,-2.1368417547,0.1210957888,0.1210957888,GGA+U,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Ni-O-Tl-Y,13.0,"Invalid WP multiplicities - A2B2C7DE_tP13_123_g_h_a2h2i_c_b:Ba-Ni-O-Tl-Y, expected Ba2YTlNi2O13 to be Ba2YTlNi2O7" +mp-1376017,Ba3Y4(NiO5)3,-7.422064154,-2.4955221547,0.1855741981,0.1855741981,GGA+U,C2/m,A3B3C15D4_mC50_12_bi_ci_ai3j_2i:Ba-Ni-O-Y,25.0,"Invalid WP multiplicities - A3B3C15D4_mC50_12_bi_ci_ai12j_4i:Ba-Ni-O-Y, expected Ba3Y8(NiO17)3 to be Ba3Y4(NiO5)3" +mp-1048406,BaYNi4O7,-6.9123494692000005,-1.8252099498,0.1658251775,0.1658251775,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Ni-O-Y,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Ni-O-Y +mp-5671,Sr(CoP)2,-6.180790118,-0.8342433067,0.0,-0.1014280448,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-P-Sr,5.0,A2B2C_tI10_139_d_e_a:Co-P-Sr +mp-18659,SrCo2(PO4)2,-7.6765510988,-2.5760708106,0.0,-0.015743678,GGA+U,P-1,A2B8C2D_aP26_2_2i_8i_2i_i:Co-O-P-Sr,26.0,"Invalid WP multiplicities - A2B8C2D_aP26_2_3i_9i_2i_i:Co-O-P-Sr, expected SrCo3P2O9 to be SrCo2(PO4)2" +mp-1310814,Sr3ZnCoO6,-6.2502066116,-2.3305089723,0.0623741311,0.0528408809,GGA+U,P-1,AB6C3D_aP44_2_bcdh_12i_6i_2i:Co-O-Sr-Zn,44.0,"Invalid WP multiplicities - AB6C3D_aP44_2_bcdh_24i_12i_4i:Co-O-Sr-Zn, expected Sr6Zn2CoO12 to be Sr3ZnCoO6" +mp-1298662,Sr3ZnCoO6,-6.3125807427,-2.3928831034,0.0,-0.0095332502,GGA+U,C2,AB6C3D_mC88_5_2c_12c_ab5c_abc:Co-O-Sr-Zn,44.0,"Invalid WP multiplicities - AB6C3D_mC88_5_2c_23c_ab8c_abc:Co-O-Sr-Zn, expected Sr9Zn2Co2O23 to be Sr3ZnCoO6" +mp-1191185,Sr3ZnCoO6,-6.3108014968,-2.3911038575,0.0017792459,-0.0077540043,GGA+U,R-3c,AB6C3D_hR66_167_b_f_e_a:Co-O-Sr-Zn,22.0,AB6C3D_hR66_167_b_f_e_a:Co-O-Sr-Zn +mp-1218902,Sr12Zn2Co6O25,-6.5254169711,-2.3229606775,0.0150320839,0.0150320839,GGA+U,C2/m,A6B25C12D2_mC90_12_ij_a2i5j_g3ij_i:Co-O-Sr-Zn,45.0,"Invalid WP multiplicities - A6B25C12D2_mC90_12_2i3j_a4i18j_g6i3j_i:Co-O-Sr-Zn, expected Sr26Zn2Co16O81 to be Sr12Zn2Co6O25" +mp-1196626,SrCo3(P2O7)2,-7.6931545664,-2.5149137108,0.0,-0.0045575872,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Co-O-P-Sr,44.0,A3B14C4D_mP44_14_ae_7e_2e_b:Co-O-P-Sr +mp-561556,Sr2Co(PO4)2,-7.6413885474,-2.9577409009,0.0,-0.0091978461,GGA+U,P2_1/c,AB8C2D2_mP78_14_ae_12e_3e_3e:Co-O-P-Sr,78.0,"Invalid WP multiplicities - AB8C2D2_mP78_14_ae_45e_7e_9e:Co-O-P-Sr, expected Sr18Co3(P7O45)2 to be Sr2Co(PO4)2" +mp-17107,SrCoP2O7,-7.6983336407,-2.7664029825,0.0,-0.0105023092,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Co-O-P-Sr,44.0,AB7C2D_mP44_14_e_7e_2e_e:Co-O-P-Sr +mp-1046379,SrZnCo(PO4)2,-7.2686235883,-2.618033622,0.034463118,0.034463118,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Co-O-P-Sr-Zn,52.0,AB8C2DE_aP26_2_i_8i_2i_i_i:Co-O-P-Sr-Zn +mp-1342853,SrZnCo(PO4)2,-3.8731268042,0.7774631621,3.429959902,3.429959902,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Co-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Co-O-P-Sr-Zn, expected SrZnCo(PO7)2 to be SrZnCo(PO4)2" +mp-1046454,SrCo(PO4)2,-7.3849509312,-2.4517904353,0.0840789653,0.0840789653,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Co-O-P-Sr,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_14i_2i_i:Co-O-P-Sr, expected SrCo(PO7)2 to be SrCo(PO4)2" +mp-1047182,Mg2BiWO6,-7.26819498,-2.3002638072,0.1319547092,0.1319547092,GGA+U,P1,AB2C6D_aP10_1_a_2a_6a_a:Bi-Mg-O-W,10.0,AB2C6D_aP10_1_a_2a_6a_a:Bi-Mg-O-W +mp-1343439,Mg2BiWO6,-7.289960403,-2.3220292303,0.1101892862,0.1101892862,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Bi-Mg-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Bi-Mg-O-W +mp-1017036,Mg6BiW,-3.0399678537,0.2600696038,0.3415848736,0.3415848736,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-W, expected Mg12BiW to be Mg6BiW" +mp-1017052,Mg6BiW,-2.9965659544000003,0.3034715031,0.384986773,0.384986773,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-W, expected Mg12BiW to be Mg6BiW" +mp-2230931,MgBi4(WO6)2,-7.3065587189,-1.9255712682,0.1130940612,0.1130940612,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W +mp-2230079,MgBi4(WO6)2,-7.3199504663,-1.9389630155,0.0997023139,0.0997023139,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W,,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W +mp-2231443,MgBi4(WO6)2,-7.2995743068,-1.9185868561,0.1200784733,0.1200784733,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Bi-Mg-O-W +mp-2231229,MgBi4(WO6)2,-7.3224086347,-1.9414211839,0.0972441454,0.0972441454,GGA+U,C2,A4BC12D2_mC38_5_2c_a_6c_ab:Bi-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_mC38_5_2c_a_7c_ab:Bi-Mg-O-W, expected MgBi4(WO7)2 to be MgBi4(WO6)2" +mp-2230862,MgBi4(WO6)2,-7.2614820079,-1.8804945571,0.1581707723,0.1581707723,GGA+U,C2/m,A4BC12D2_mC38_12_2i_a_6i_i:Bi-Mg-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_mC38_12_2i_a_11i_i:Bi-Mg-O-W, expected MgBi4(WO11)2 to be MgBi4(WO6)2" +mp-1044356,MgBiWO5,-7.5328123866,-2.1412695158,0.1354935549,0.1354935549,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mg-O-W,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Mg-O-W, expected MgBiWO15 to be MgBiWO5" +mp-1042759,MgBiWO5,-7.4330184284,-2.0414755577,0.235287513,0.235287513,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Mg-O-W,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Mg-O-W, expected MgBiWO31 to be MgBiWO5" +mp-1026456,Mg14BiW,-2.3021434731,0.1480152806,0.2010648249,0.2010648249,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-W, expected Mg18BiW to be Mg14BiW" +mp-1026446,Mg14BiW,-2.3332045581,0.1169541956,0.1700037399,0.1700037399,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-W, expected Mg26BiW to be Mg14BiW" +mp-2218109,MgBi(WO4)2,-8.1067847267,-2.1959064492,0.0810426033,0.0810426033,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Bi-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Bi-Mg-O-W +mp-2218148,MgBi(WO4)2,-8.0790259375,-2.16814766,0.1088013925,0.1088013925,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Bi-Mg-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Bi-Mg-O-W +mp-1201121,CuTePb3CO10,-6.2531371684,-1.4358867698,0.0586176249,0.0586176249,GGA,Pca2_1,ABC10D3E_oP64_29_a_a_10a_3a_a:C-Cu-O-Pb-Te,64.0,ABC10D3E_oP64_29_a_a_10a_3a_a:C-Cu-O-Pb-Te +mp-5157,Ca(PRu)2,-7.202744418,-0.9265424233,0.0,-0.244592954,GGA,I4/mmm,AB2C2_tI10_139_a_e_d:Ca-P-Ru,5.0,AB2C2_tI10_139_a_e_d:Ca-P-Ru +mp-1233190,CaCuP4(RuO7)2,-7.4363888991,-2.183640553,0.1461737988,0.1461737988,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru +mp-1233208,CaCuP4(RuO7)2,-7.4486778764,-2.1959295303,0.1338848215,0.1338848215,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru +mp-1234062,CaCuP4(RuO7)2,-7.4247740123,-2.1720256662,0.1577886856,0.1577886856,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru +mp-1234593,CaCuP4(RuO7)2,-7.4461450914,-2.1933967453,0.1364176065,0.1364176065,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Ca-Cu-O-P-Ru +mp-556066,Sr2LiSiO4F,-6.9664397,-3.3651661871,0.0151080445,0.0151080445,GGA,P2_1/m,ABC4DE2_mP18_11_a_e_2ef_e_2e:F-Li-O-Si-Sr,18.0,"Invalid WP multiplicities - ABC4DE2_mP18_11_a_e_4e2f_e_4e:F-Li-O-Si-Sr, expected Sr4LiSiO8F to be Sr2LiSiO4F" +mp-728573,SrSi(OF3)2,-5.433006222,-2.5852999509,0.4217052043,0.4217052043,GGA,P2_1/c,A6B2CD_mP40_14_6e_2e_e_e:F-O-Si-Sr,40.0,A6B2CD_mP40_14_6e_2e_e_e:F-O-Si-Sr +mp-1193269,Li2SiF6,-5.7089574389,-3.4076199313,0.0,-0.0702694211,GGA,P321,A6B2C_hP27_150_3g_ef_ad:F-Li-Si,27.0,A6B2C_hP27_150_3g_ef_ad:F-Li-Si +mp-1517703,BaSrLaWO6,-8.193351227,-3.0750774274,0.0564807648,0.0564807648,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-La-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-La-O-Sr-W, expected BaSrLaWO12 to be BaSrLaWO6" +mp-1517808,BaSrLaWO6,-8.1825145348,-3.0642407352,0.0673174571,0.0673174571,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-La-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-La-O-Sr-W +mp-1517745,BaSrLaWO6,-8.07143429,-2.9531604904,0.1783977018,0.1783977018,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-La-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-La-O-Sr-W +mp-1196620,SrLa2WO7,-8.6815275525,-3.3045767459,0.0,-0.0018108638,GGA+U,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:La-O-Sr-W,44.0,A2B7CD_mP44_14_2e_7e_e_e:La-O-Sr-W +mp-677732,NdTi2CdO6F,-7.9914740718,-3.1665983936,0.1587680755,0.1587680755,GGA,Imma,ABCD6E2_oI44_74_a_e_c_2ej_bd:Cd-F-Nd-O-Ti,22.0,"Invalid WP multiplicities - ABCD6E2_oI44_74_a_e_c_4e4j_bd:Cd-F-Nd-O-Ti, expected NdTi2CdO20F to be NdTi2CdO6F" +mp-623024,TiCdF6,-5.8194370125,-3.2835300648,0.0,-0.048209285,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Ti,8.0,AB6C_hR24_148_a_f_b:Cd-F-Ti +mp-686681,Ca6Ga6Si3(HO12)2,-6.8263413927,-2.6316069862,0.0882544174,0.0882544174,GGA,P1,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Ca-Ga-H-O-Si,82.0,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Ca-Ga-H-O-Si +mp-1018090,CaGaSiH,-3.860618645,-0.3976836506,0.0497054725,0.0497054725,GGA,P3m1,ABCD_hP4_156_b_a_a_c:Ca-Ga-H-Si,4.0,ABCD_hP4_156_b_a_a_c:Ca-Ga-H-Si +mp-677422,Ca2Ga2Si(HO4)2,-6.766562842,-2.6431180677,0.013323386,0.0022159279,GGA,P1,A2B2C2D8E_aP30_1_4a_4a_4a_16a_2a:Ca-Ga-H-O-Si,30.0,A2B2C2D8E_aP30_1_4a_4a_4a_16a_2a:Ca-Ga-H-O-Si +mp-1344586,Ca2Ga2Si(HO4)2,-3.6847102083,0.438734566,3.0951760197,3.0840685615,GGA,P1,A2B2C2D8E_aP30_1_4a_4a_4a_16a_2a:Ca-Ga-H-O-Si,30.0,A2B2C2D8E_aP30_1_4a_4a_4a_16a_2a:Ca-Ga-H-O-Si +mp-760729,Ca2Ga2Si(HO4)2,-6.7798862280000005,-2.6564414537000003,0.0,-0.0111074581,GGA,I-4,A2B2C2D8E_tI60_82_g_g_g_4g_ab:Ca-Ga-H-O-Si,30.0,"Invalid WP multiplicities - A2B2C2D8E_tI60_82_g_g_g_10g_ab:Ca-Ga-H-O-Si, expected Ca2Ga2Si(HO10)2 to be Ca2Ga2Si(HO4)2" +mp-1223205,La5Si2BO13,-8.7792598129,-3.707020927,0.0109736824,0.0109736824,GGA,Pm,AB5C13D2_mP42_6_ab_3a3b2c_7a7b6c_2a2b:B-La-O-Si,42.0,"Invalid WP multiplicities - AB5C13D2_mP42_6_ab_3a3b3c_7a7b12c_2a2b:B-La-O-Si, expected La6Si2BO19 to be La5Si2BO13" +mp-1222841,LaSiBO5,-8.6628390308,-3.4410689731,0.0,-0.0143638608,GGA,P3_1,ABC5D_hP24_144_a_a_5a_a:B-La-O-Si,24.0,ABC5D_hP24_144_a_a_5a_a:B-La-O-Si +mp-6267,LaSiBO5,-8.660643243300001,-3.4388731856,0.0021957875,-0.0121680733,GGA,P3_121,ABC5D_hP24_152_a_a_b2c_b:B-La-O-Si,24.0,"Invalid WP multiplicities - ABC5D_hP24_152_a_a_b3c_b:B-La-O-Si, expected LaSiBO7 to be LaSiBO5" +mp-22225,CeSiBO5,-8.71473921,-3.368333896,0.0,-0.0101844625,GGA,P3_1,ABC5D_hP24_144_a_a_5a_a:B-Ce-O-Si,24.0,ABC5D_hP24_144_a_a_5a_a:B-Ce-O-Si +mp-558019,Ce3Si2BO10,-8.8085670926,-3.5088056921,0.0073765623,0.0073765623,GGA,Pbca,AB3C10D2_oP128_61_c_3c_10c_2c:B-Ce-O-Si,128.0,"Invalid WP multiplicities - AB3C10D2_oP128_61_c_21c_74c_16c:B-Ce-O-Si, expected Ce21Si16BO74 to be Ce3Si2BO10" +mp-773117,La3Si2BO10,-8.7401636095,-3.6273550934,0.0,-0.0003595861,GGA,Pbca,AB3C10D2_oP128_61_c_3c_10c_2c:B-La-O-Si,128.0,"Invalid WP multiplicities - AB3C10D2_oP128_61_c_9c_37c_5c:B-La-O-Si, expected La9Si5BO37 to be La3Si2BO10" +mp-1223448,LaCeSi2(BO5)2,-8.6855482179,-3.401460532,0.0032409025,0.0032409025,GGA,P1,A2BCD10E2_aP48_1_6a_3a_3a_30a_6a:B-Ce-La-O-Si,48.0,A2BCD10E2_aP48_1_6a_3a_3a_30a_6a:B-Ce-La-O-Si +mp-643706,Cs3MnH5,-3.3724493339,-0.1711323746,0.0,-0.0207716197,GGA,I4/mcm,A3B5C_tI36_140_ah_cl_b:Cs-H-Mn,18.0,A3B5C_tI36_140_ah_cl_b:Cs-H-Mn +mp-24178,Mn3H2Se3O10,-6.8304307628,-1.5956463455,0.0,-0.0056012497,GGA+U,P-1,A2B3C10D3_aP36_2_2i_be2i_10i_3i:H-Mn-O-Se,36.0,A2B3C10D3_aP36_2_2i_be2i_10i_3i:H-Mn-O-Se +mp-510022,MnH10SeO9,-5.6795836838,-1.3412319876,0.0167360075,0.0167360075,GGA+U,P-1,A10BC9D_aP42_2_10i_bc_9i_i:H-Mn-O-Se,42.0,A10BC9D_aP42_2_10i_bc_9i_i:H-Mn-O-Se +mp-643412,MnH2SeO5,-6.3677224519,-1.4591866279,0.0,-0.0143458089,GGA+U,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-Se,36.0,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-Se +mp-731052,MnH2(SeO4)2,-6.1174987496,-1.3088218244,0.0,-0.0095048719,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:H-Mn-O-Se,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:H-Mn-O-Se +mp-1210724,MnHSeO4,-6.1657642571,-1.0461345915,0.4936723405,0.4936723405,GGA+U,C2/c,ABC4D_mC28_15_e_a_2f_e:H-Mn-O-Se,14.0,ABC4D_mC28_15_e_c_2f_e:H-Mn-O-Se +mp-1214073,Cs2MnH12(SeO7)2,-5.5812529684,-1.4550917591,0.0,-0.0007828626,GGA+U,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mn-O-Se,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mn-O-Se +mp-677613,Ba3Si3N5ClO,-7.1708707535,-1.7469800684,0.0399808301,0.0399808301,GGA,Cc,A3BC5DE3_mC52_9_3a_a_5a_a_3a:Ba-Cl-N-O-Si,26.0,"Invalid WP multiplicities - A3BC5DE3_mC52_9_6a_a_9a_a_6a:Ba-Cl-N-O-Si, expected Ba6Si6N9ClO to be Ba3Si3N5ClO" +mp-560934,Na2Zn5(PO4)4,-6.5004339213,-2.4358414012000003,0.0,-0.0007583893,GGA,Pbcn,A2B16C4D5_oP108_60_d_8d_2d_c2d:Na-O-P-Zn,108.0,"Invalid WP multiplicities - A2B16C4D5_oP108_60_d_58d_8d_3c9d:Na-O-P-Zn, expected Na2Zn21(P4O29)4 to be Na2Zn5(PO4)4" +mp-1210074,NaZn2(PO4)2,-6.4857738538,-2.3133025295,0.0580859064,0.0580859064,GGA,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:Na-O-P-Zn,26.0,AB8C2D2_aP26_2_i_8i_2i_2i:Na-O-P-Zn +mp-1210645,Na6Zn3P4O19,-6.0776504945,-2.0978168029,0.1688055395,0.1688055395,GGA,P2_13,A6B19C4D3_cP128_198_2b_4a5b_4a_b:Na-O-P-Zn,128.0,A6B19C4D3_cP128_198_2b_4a5b_4a_b:Na-O-P-Zn +mp-1210392,Na2ZnFe2(PO4)3,-7.2201394445,-2.3978890109,0.0296646047,0.0296646047,GGA+U,C2/c,A2B2C12D3E_mC80_15_f_ae_6f_ef_e:Fe-Na-O-P-Zn,40.0,A2B2C12D3E_mC80_15_f_ae_6f_ef_e:Fe-Na-O-P-Zn +mp-1195849,Na2Zn3(PO3)4,-6.2503146376,-2.086611972,0.3038755526,0.3038755526,GGA,Pnma,A2B12C4D3_oP84_62_d_2c5d_2cd_cd:Na-O-P-Zn,84.0,A2B12C4D3_oP84_62_d_2c5d_2cd_cd:Na-O-P-Zn +mp-1204623,NaZn(PO3)3,-7.076594083,-2.5521387384,0.0104459451,-0.0083190921,GGA,Pbca,AB9C3D_oP224_61_abc_18c_6c_2c:Na-O-P-Zn,224.0,AB9C3D_oP224_61_abc_18c_6c_2c:Na-O-P-Zn +mp-1198287,NaZn(PO3)3,-7.0749178039,-2.5504624593000003,0.0121222242,-0.006642813,GGA,Pa-3,AB9C3D_cP224_205_abc_6d_2d_2c:Na-O-P-Zn,224.0,AB9C3D_cP224_205_abc_6d_2d_2c:Na-O-P-Zn +mp-560174,NaZn(PO3)3,-7.0870400281,-2.5625846835,0.0,-0.0187650372,GGA,I-43d,AB9C3D_cI224_220_c_3e_e_c:Na-O-P-Zn,112.0,"Invalid WP multiplicities - AB9C3D_cI224_220_c_52e_e_c:Na-O-P-Zn, expected NaZn(PO52)3 to be NaZn(PO3)3" +mp-1212603,Na2Zn2P2O11,-5.7620885725,-1.6206345346000002,0.4312471298,0.4312471298,GGA,P6_1,A2B11C2D2_hP102_169_2a_11a_2a_2a:Na-O-P-Zn,102.0,A2B11C2D2_hP102_169_2a_11a_2a_2a:Na-O-P-Zn +mp-4824,NaZnP,-3.0711473367,-0.4059568666,0.0,-0.1416540374,GGA,P4/nmm,ABC_tP6_129_c_c_a:Na-P-Zn,6.0,ABC_tP6_129_c_c_a:Na-P-Zn +mp-1204305,Na3Zn4P3O19,-5.7754278812,-1.6639263862,0.2638685434,0.2638685434,GGA,R3c,A3B19C3D4_hR174_161_b_a6b_b_ab:Na-O-P-Zn,58.0,A3B19C3D4_hR174_161_b_a6b_b_ab:Na-O-P-Zn +mp-1221186,Na3Zn3P3O16,-5.9855050006,-1.8601556562,0.2327636415,0.2327636415,GGA,R3c,A3B16C3D3_hR150_161_b_a5b_b_b:Na-O-P-Zn,50.0,"Invalid WP multiplicities - A3B16C3D3_hR150_161_b_2a21b_b_b:Na-O-P-Zn, expected Na3Zn3P3O65 to be Na3Zn3P3O16" +mp-14648,NaZnPO4,-6.4521411494,-2.4832373987,0.0083331938,-0.0240558822,GGA,P2_1/c,AB4CD_mP84_14_3e_12e_3e_3e:Na-O-P-Zn,84.0,"Invalid WP multiplicities - AB4CD_mP84_14_3e_14e_3e_3e:Na-O-P-Zn, expected Na3Zn3P3O14 to be NaZnPO4" +mp-558237,NaZnPO4,-6.4604743432,-2.4915705925,0.0,-0.032389076,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Na-O-P-Zn,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_14e_e_e:Na-O-P-Zn, expected NaZnPO14 to be NaZnPO4" +mp-40963,Na2ZnP2O7,-6.6688493081,-2.5556642924,0.0,-0.0015206648,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Na-O-P-Zn,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_5e_25e_5e_e:Na-O-P-Zn, expected Na5Zn(PO5)5 to be Na2ZnP2O7" +mp-6491,Na2ZnP2O7,-6.6639456156,-2.5507605999000003,0.0049036925,0.0033830277,GGA,P4_2/mnm,A2B7C2D_tP48_136_fg_ejk_j_d:Na-O-P-Zn,48.0,"Invalid WP multiplicities - A2B7C2D_tP48_136_3f3g_e2jk_j_d:Na-O-P-Zn, expected Na6ZnP2O9 to be Na2ZnP2O7" +mp-1173582,NaZnFe(PO4)2,-7.1318308756,-2.4047228128,0.0147375407,0.0147375407,GGA+U,P-1,ABC8D2E_aP78_2_3i_be2i_24i_6i_3i:Fe-Na-O-P-Zn,78.0,"Invalid WP multiplicities - ABC8D2E_aP78_2_4i_be4i_46i_10i_4i:Fe-Na-O-P-Zn, expected Na5Zn4Fe4(P5O23)2 to be NaZnFe(PO4)2" +mp-560769,NaZnFe2(PO4)3,-7.3926470775,-2.3862005839,0.0066928395,0.0066928395,GGA+U,P2_12_12_1,A2BC12D3E_oP76_19_2a_a_12a_3a_a:Fe-Na-O-P-Zn,76.0,"Invalid WP multiplicities - A2BC12D3E_oP76_19_6a_a_45a_8a_a:Fe-Na-O-P-Zn, expected NaZnFe6P8O45 to be NaZnFe2(PO4)3" +mp-1210372,Na2ZnP2,-2.583183824,0.363096018,0.7588873365000001,0.7588873365000001,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Na-P-Zn,5.0,A2B2C_tP5_123_g_g_a:Na-P-Zn +mp-1180640,NaZn2P3O19,-5.7774854134,-1.2147251915,0.3871006236,0.3871006236,GGA,P-1,AB19C3D2_aP50_2_i_19i_3i_bei:Na-O-P-Zn,50.0,AB19C3D2_aP50_2_i_19i_3i_bei:Na-O-P-Zn +mp-1213586,Na2ZnPO12,-5.16754285,-0.8751452726000001,0.4133858893,0.4133858893,GGA,P2_1/c,A2B12CD_mP64_14_2e_12e_e_e:Na-O-P-Zn,64.0,A2B12CD_mP64_14_2e_12e_e_e:Na-O-P-Zn +mp-731669,Na2ZnPO5,-5.9765449503,-2.193040477,0.0976815885,0.0976815885,GGA,P2_1/c,A2B5CD_mP36_14_2e_5e_e_e:Na-O-P-Zn,36.0,A2B5CD_mP36_14_2e_5e_e_e:Na-O-P-Zn +mp-1221277,Na2ZnFe(PO4)2,-6.9050335314,-2.4211099521,0.0321889775,0.0321889775,GGA+U,P2_1/c,AB2C8D2E_mP28_14_a_e_4e_e_d:Fe-Na-O-P-Zn,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_14_a_e_6e_e_d:Fe-Na-O-P-Zn, expected Na2ZnFe(PO6)2 to be Na2ZnFe(PO4)2" +mp-772101,Na3MnSiCO7,-7.1551506194,-2.3543509522,0.0,-0.0011233302,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mn-Na-O-Si,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mn-Na-O-Si +mp-770912,Na2MnSiCO7,-7.3769667773,-2.2863109123,0.0216237739,0.0216237739,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Mn-Na-O-Si,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Mn-Na-O-Si +mp-27123,ErSeF,-6.4874377439,-3.1624013255,0.0237739108,0.0237739108,GGA,Pnma,ABC_oP36_62_3c_3c_3c:Er-F-Se,36.0,ABC_oP36_62_3c_3c_3c:Er-F-Se +mp-556999,ErSeO3F,-6.9573460896,-2.8214835248,0.002283031,0.002283031,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Er-F-O-Se,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_10e_e:Er-F-O-Se, expected ErSeO10F to be ErSeO3F" +mp-17633,Er2SiSeO4,-8.1344347822,-3.4040070356,0.0260626663,0.0260626663,GGA,Pbcm,A2B4CD_oP32_57_cd_2e_d_c:Er-O-Se-Si,32.0,A2B4CD_oP32_57_cd_2e_d_c:Er-O-Se-Si +mp-555942,Er3SiSe2O10F,-7.6191949144,-3.0604500029,0.0,-0.0147057828,GGA,Pnna,A3BC10D2E_oP68_52_ce_d_5e_e_c:Er-F-O-Se-Si,68.0,"Invalid WP multiplicities - A3BC10D2E_oP68_52_3c3e_d_34e_e_c:Er-F-O-Se-Si, expected Er9SiSe2O68F to be Er3SiSe2O10F" +mp-24550,MnAsH2O5,-6.7031769328,-1.6653958946,0.0,-0.0196473731,GGA+U,C2/c,AB2CD5_mC36_15_e_f_c_e2f:As-H-Mn-O,36.0,AB2CD5_mC36_15_e_f_c_e2f:As-H-Mn-O +mp-861683,Mn3As(HO2)4,-7.0615330627,-1.7309344282,0.0010622006,0.0010622006,GGA+U,Pnma,AB4C3D8_oP64_62_c_2d_ad_2c3d:As-H-Mn-O,64.0,"Invalid WP multiplicities - AB4C3D8_oP64_62_c_5d_ad_6c11d:As-H-Mn-O, expected Mn3As(H5O14)2 to be Mn3As(HO2)4" +mp-1204184,Mn5As4(HO2)10,-6.7419239479,-1.6827551081,0.0028746603,0.0028746603,GGA+U,C2/c,A4B10C5D20_mC156_15_2f_5f_e2f_10f:As-H-Mn-O,78.0,A4B10C5D20_mC156_15_2f_5f_e2f_10f:As-H-Mn-O +mp-733680,Mn4Si3AsHO13,-8.1709615383,-2.4762882222,0.0091381567,0.0091381567,GGA+U,P2_1/c,ABC4D13E3_mP88_14_e_e_4e_13e_3e:As-H-Mn-O-Si,88.0,ABC4D13E3_mP88_14_e_e_4e_13e_3e:As-H-Mn-O-Si +mp-541763,Mn5As4(H11O13)2,-6.1847627249,-1.4882639607,0.0699208347,0.0699208347,GGA+U,P-1,A4B22C5D26_aP57_2_2i_11i_a2i_13i:As-H-Mn-O,57.0,A4B22C5D26_aP57_2_2i_11i_a2i_13i:As-H-Mn-O +mp-695994,MnAsH3O5,-6.5010610737,-1.6277855349,0.0,-0.0010602675,GGA+U,P2_1,AB3CD5_mP80_4_4a_12a_4a_20a:As-H-Mn-O,80.0,AB3CD5_mP80_4_4a_12a_4a_20a:As-H-Mn-O +mp-765297,Mn2AsHO5,-7.542846616,-1.8640334393,0.0144104407,-0.0303403902,GGA+U,P2_1/c,ABC2D5_mP144_14_4e_4e_8e_20e:As-H-Mn-O,144.0,"Invalid WP multiplicities - ABC2D5_mP144_14_13e_13e_29e_79e:As-H-Mn-O, expected Mn29As13H13O79 to be Mn2AsHO5" +mp-1202591,Mn2AsHO5,-7.5572570567,-1.87844388,0.0,-0.0447508309,GGA+U,Pnnm,ABC2D5_oP36_58_g_g_eg_3gh:As-H-Mn-O,36.0,ABC2D5_oP36_58_g_g_eg_3gh:As-H-Mn-O +mp-849251,Ti3Mn2Co(PO4)6,-8.3532879167,-2.7888665684,0.0373241618,0.0373241618,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Co-Mn-O-P-Ti, expected Ti3Mn2Co(PO11)6 to be Ti3Mn2Co(PO4)6" +mp-1101396,TiMn3Co2(PO4)6,-7.9710665317,-2.3933299319,0.0880536753,0.0880536753,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Co-Mn-O-P-Ti, expected TiMn3Co2(PO11)6 to be TiMn3Co2(PO4)6" +mp-778393,Ti3MnCo2(PO4)6,-8.2514776372,-2.7441034416,0.0357674759,0.0357674759,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Co-Mn-O-P-Ti, expected Ti3MnCo2(P3O22)3 to be Ti3MnCo2(PO4)6" +mp-23650,TeSeS(NCl)2,-4.637283408,-0.1878933498,0.3380381792,0.3380381792,GGA,Pbca,A2B2CDE_oP56_61_2c_2c_c_c_c:Cl-N-S-Se-Te,56.0,"Invalid WP multiplicities - A2B2CDE_oP56_61_5c_5c_c_c_c:Cl-N-S-Se-Te, expected TeSeS(NCl)5 to be TeSeS(NCl)2" +mp-669462,TeS2N3Cl5,-4.4705153035,-0.318844967,0.3033787724,0.3033787724,GGA,P2_1/c,A5B3C2D_mP88_14_10e_6e_4e_2e:Cl-N-S-Te,88.0,"Invalid WP multiplicities - A5B3C2D_mP88_14_36e_21e_12e_4e:Cl-N-S-Te, expected Te4S12(N7Cl12)3 to be TeS2N3Cl5" +mp-554646,TeS4(NCl)4,-4.8493643638,-0.2009619253,0.3182262916,0.3182262916,GGA,Cc,A4B4C4D_mC52_9_4a_4a_4a_a:Cl-N-S-Te,26.0,"Invalid WP multiplicities - A4B4C4D_mC52_9_8a_6a_6a_a:Cl-N-S-Te, expected TeS6(N3Cl4)2 to be TeS4(NCl)4" +mp-1179042,TeS3N2,-4.9378345229,0.4331063677,0.4331063677,0.4331063677,GGA,Pnma,A2B3C_oP24_62_d_cd_c:N-S-Te,24.0,A2B3C_oP24_62_d_cd_c:N-S-Te +mp-1192539,TeS3N2,-5.0035676175,0.3673732732,0.3673732732,0.3673732732,GGA,Pnma,A2B3C_oP24_62_d_cd_c:N-S-Te,24.0,A2B3C_oP24_62_d_cd_c:N-S-Te +mp-1237159,TeS3N2,-4.795772355,0.5751685357,0.5751685357,0.5751685357,GGA,Pnma,A2B3C_oP24_62_d_cd_c:N-S-Te,24.0,A2B3C_oP24_62_d_cd_c:N-S-Te +mp-556430,TeS2(NCl)2,-4.7585483139,-0.2176527715,0.3179381725,0.3179381725,GGA,C2/c,A2B2C2D_mC56_15_2f_2f_2f_f:Cl-N-S-Te,28.0,"Invalid WP multiplicities - A2B2C2D_mC56_15_8f_3f_4f_f:Cl-N-S-Te, expected TeS4N3Cl8 to be TeS2(NCl)2" +mp-669465,Te2S4(NCl3)3,-4.1529251542,-0.5707737114,0.1497350899,0.1497350899,GGA,P-1,A9B3C4D2_aP36_2_9i_3i_4i_2i:Cl-N-S-Te,36.0,"Invalid WP multiplicities - A9B3C4D2_aP36_2_17i_6i_7i_4i:Cl-N-S-Te, expected Te4S7N6Cl17 to be Te2S4(NCl3)3" +mp-1196171,LiScH2Se2O7,-6.3255101633,-1.9681649328,0.0,-0.0138882374,GGA,P2/c,A2BC7DE2_mP104_13_4g_2g_14g_afg_4g:H-Li-O-Sc-Se,104.0,A2BC7DE2_mP104_13_4g_2g_14g_aeg_4g:H-Li-O-Sc-Se +mp-778397,Li2Sn(BO3)2,-7.1142747752,-2.4900626482,0.076664998,0.076664998,GGA,P1,A2B2C6D_aP44_1_8a_8a_24a_4a:B-Li-O-Sn,44.0,A2B2C6D_aP44_1_8a_8a_24a_4a:B-Li-O-Sn +mp-755757,Li2Sn(BO3)2,-7.09623857,-2.472026443,0.0947012032,0.0947012032,GGA,P-1,A2B2C6D_aP22_2_2i_2i_6i_i:B-Li-O-Sn,22.0,"Invalid WP multiplicities - A2B2C6D_aP22_2_3i_3i_11i_i:B-Li-O-Sn, expected Li3SnB3O11 to be Li2Sn(BO3)2" +mp-759667,Li2Sn(BO3)2,-7.1330137123,-2.5088015852,0.0579260609,0.0579260609,GGA,P2_1,A2B2C6D_mP44_4_4a_4a_12a_2a:B-Li-O-Sn,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_4_8a_8a_22a_2a:B-Li-O-Sn, expected Li4SnB4O11 to be Li2Sn(BO3)2" +mp-759933,Li2Sn(BO3)2,-7.0908370655,-2.4666249384,0.1001027077,0.1001027077,GGA,Pc,A2B2C6D_mP44_7_4a_4a_12a_2a:B-Li-O-Sn,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_7_8a_7a_24a_2a:B-Li-O-Sn, expected Li7Sn2(BO3)8 to be Li2Sn(BO3)2" +mp-770833,Li2SnBO4,-6.6236609441,-2.3369654185,0.0709304154,0.0709304154,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:B-Li-O-Sn,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:B-Li-O-Sn, expected Li3SnBO11 to be Li2SnBO4" +mp-756045,Li4Sn(BO3)2,-6.6020192269,-2.3955439092,0.0763926903,0.0763926903,GGA,Pnnm,A2B4C6D_oP26_58_g_2g_3g_a:B-Li-O-Sn,26.0,"Invalid WP multiplicities - A2B4C6D_oP26_58_g_5g_9g_a:B-Li-O-Sn, expected Li10Sn(BO9)2 to be Li4Sn(BO3)2" +mp-1100396,LiSnB,-4.10333341,0.0959620875,0.3461487389,0.3461487389,GGA,F-43m,ABC_cF12_216_c_a_b:B-Li-Sn,3.0,ABC_cF12_216_c_a_b:B-Li-Sn +mp-768284,Li3Sn(BO2)5,-7.4888073224,-2.6151133002,0.0527385511,0.0527385511,GGA,P-1,A5B3C10D_aP38_2_5i_3i_10i_i:B-Li-O-Sn,38.0,"Invalid WP multiplicities - A5B3C10D_aP38_2_9i_5i_19i_i:B-Li-O-Sn, expected Li5SnB9O19 to be Li3Sn(BO2)5" +mp-770756,Li3SiSnBO7,-6.9452192723,-2.6015368696,0.0585157267,0.0585157267,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Li-O-Si-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:B-Li-O-Si-Sn, expected Li4SiSnBO13 to be Li3SiSnBO7" +mp-770286,Li3Sn(BO3)2,-6.8566182425,-2.4586802205,0.0594592315,0.0594592315,GGA,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-Sn,24.0,"Invalid WP multiplicities - A2B3C6D_aP24_2_3i_5i_11i_i:B-Li-O-Sn, expected Li5SnB3O11 to be Li3Sn(BO3)2" +mp-770287,Li3Sn(BO3)2,-6.8191431748,-2.4212051528,0.0969342992,0.0969342992,GGA,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-Sn,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_3e_11e_19e_e:B-Li-O-Sn, expected Li11SnB3O19 to be Li3Sn(BO3)2" +mp-698032,Na3H7Ru,-3.7288516677,-0.3660279645,0.0,-0.0980994389,GGA,P4_2/mnm,A7B3C_tP44_136_fi2j_gi_f:H-Na-Ru,44.0,A7B3C_tP44_136_fi2j_gi_f:H-Na-Ru +mp-721017,Na2Te(H5O4)2,-5.2097269936,-1.4340542974,0.0118667219,0.0118667219,GGA,C2/c,A10B2C8D_mC168_15_10f_cef_8f_f:H-Na-O-Te,84.0,A10B2C8D_mC168_15_10f_aef_8f_f:H-Na-O-Te +mp-1101723,Na6Te2H28RuO30,-5.3458888827,-1.3624089322,6.17935e-05,6.17935e-05,GGA,P-1,A28B6C30DE2_aP67_2_14i_3i_15i_a_i:H-Na-O-Ru-Te,67.0,"Invalid WP multiplicities - A28B6C30DE2_aP67_2_27i_5i_29i_a_i:H-Na-O-Ru-Te, expected Na10Te2H54RuO58 to be Na6Te2H28RuO30" +mp-643001,Na4H6Ru,-3.5318616691,-0.3572380342,0.0,-0.0434997789,GGA,R-3c,A6B4C_hR66_167_f_ae_b:H-Na-Ru,22.0,A6B4C_hR66_167_f_ae_b:H-Na-Ru +mp-734306,Na2Te2H4O7,-0.8746509107,2.9339749248,4.4996873883,4.4956600810000005,GGA,P-1,A4B2C7D2_aP30_2_4i_2i_7i_2i:H-Na-O-Te,30.0,A4B2C7D2_aP30_2_4i_2i_7i_2i:H-Na-O-Te +mp-720921,Na2Te2H4O7,-5.374338299,-1.5657124635000002,0.0,-0.0040273073,GGA,P-1,A4B2C7D2_aP30_2_4i_2i_7i_2i:H-Na-O-Te,30.0,A4B2C7D2_aP30_2_4i_2i_7i_2i:H-Na-O-Te +mp-554838,Rb2Cr2Cd(H2O5)2,-6.1764515621000005,-1.6907755549,0.0,-0.0090204147,GGA+U,P-1,AB2C4D10E2_aP38_2_i_2i_4i_10i_2i:Cd-Cr-H-O-Rb,38.0,"Invalid WP multiplicities - AB2C4D10E2_aP38_2_i_4i_8i_19i_3i:Cd-Cr-H-O-Rb, expected Rb3Cr4CdH8O19 to be Rb2Cr2Cd(H2O5)2" +mp-756380,Li4Ti3Mn3(WO8)2,-8.44367697,-2.5911236403,0.0572794369,0.0572794369,GGA+U,P1,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Mn-O-Ti-W,28.0,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Mn-O-Ti-W +mp-755149,Li4TiMn(WO6)2,-7.9146478048,-2.4161616162,0.0337657969,0.0337657969,GGA+U,P1,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-Ti-W,40.0,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-Ti-W +mp-865656,TiMn2W,-10.0362738775,-0.2418606698,0.0,-0.0377418406,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mn-Ti-W,4.0,A2BC_cF16_225_c_a_b:Mn-Ti-W +mp-707765,TeH12(Cl2O3)2,-4.7444218672,-1.2257132871,0.016761501,0.016761501,GGA,P2_12_12_1,A4B12C6D_oP92_19_4a_12a_6a_a:Cl-H-O-Te,92.0,A4B12C6D_oP92_19_4a_12a_6a_a:Cl-H-O-Te +mp-558396,Rb2Te(H6O5)2,-5.2390660038,-1.4277070562,0.0,-0.0216369541,GGA,P-1,A12B10C2D_aP50_2_12i_10i_2i_i:H-O-Rb-Te,50.0,"Invalid WP multiplicities - A12B10C2D_aP50_2_24i_19i_4i_i:H-O-Rb-Te, expected Rb4TeH24O19 to be Rb2Te(H6O5)2" +mp-1197714,Rb3TeH6(ClO2)3,-4.8441961168,-1.5985641890000002,0.0062805279,0.0062805279,GGA,R-3c,A3B6C6D3E_hR114_167_e_f_f_e_b:Cl-H-O-Rb-Te,38.0,A3B6C6D3E_hR114_167_e_f_f_e_b:Cl-H-O-Rb-Te +mp-1195649,Mn(BH4)2,-4.628029083,-0.1132466108,0.0374718311,0.0374718311,GGA,Fddd,A2B8C_oF176_70_h_4h_e:B-H-Mn,44.0,A2B8C_oF176_70_h_4h_e:B-H-Mn +mp-1190456,Mn(BH4)2,-4.6556419686,-0.1408594965,0.0098589455,0.0098589455,GGA,P-4n2,A2B8C_tP22_118_f_2i_a:B-H-Mn,22.0,A2B8C_tP22_118_f_2i_a:B-H-Mn +mp-1194910,Mn(BH4)2,-4.653445242,-0.1386627699,0.012055672,0.012055672,GGA,I4_1/acd,A2B8C_tI88_142_e_2g_b:B-H-Mn,44.0,A2B8C_tI88_142_e_2g_b:B-H-Mn +mp-1204859,Mn(BH4)2,-4.6561830152,-0.141400543,0.0093178989,0.0093178989,GGA,P3_112,A2B8C_hP99_151_2a2bc_12c_ac:B-H-Mn,99.0,A2B8C_hP99_151_2a2bc_12c_ac:B-H-Mn +mp-1219628,RbLiMn(BH4)4,-4.3774559639,-0.3316883102,0.0,-0.0097385204,GGA,Aea2,A4B16CDE_oC92_41_2b_8b_a_a_a:B-H-Li-Mn-Rb,46.0,A4B16CDE_oC92_41_2b_8b_a_a_a:B-H-Li-Mn-Rb +mp-643697,Rb3MnH5,-3.3948916811,-0.1651974884,0.0,-0.0054446536,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:H-Mn-Rb,18.0,A5BC3_tI36_140_cl_b_ah:H-Mn-Rb +mp-1204819,Ba4MnIn2(S3F2)2,-5.4758357937,-2.2519594652,0.1564142035,0.1564142035,GGA+U,Pnma,A4B4C2DE6_oP68_62_2d_2d_2c_c_2c2d:Ba-F-In-Mn-S,68.0,A4B4C2DE6_oP68_62_2d_2d_2c_c_2c2d:Ba-F-In-Mn-S +mp-1204693,Ba18In8(S7F6)3,-5.4073985404,-2.6715971961,0.0073698349,0.0073698349,GGA,P4_2/ncm,A18B18C8D21_tP260_138_ce4j_abgh3j_4i_e4i3j:Ba-F-In-S,260.0,A18B18C8D21_tP260_138_ce4j_abgh3j_4i_e4i3j:Ba-F-In-S +mp-1204134,Ba9In4(SF)10,-5.4182551028,-2.7286551718,0.028386208,0.028386208,GGA,Pnma,A9B10C4D10_oP132_62_c4d_5d_4c_4c3d:Ba-F-In-S,132.0,A9B10C4D10_oP132_62_c4d_5d_4c_4c3d:Ba-F-In-S +mp-998241,MnInF3,-6.035291062,-2.5056638771,0.0312297807,0.0312297807,GGA+U,P1,A3BC_aP5_1_3a_a_a:F-In-Mn,5.0,A3BC_aP5_1_3a_a_a:F-In-Mn +mp-1099572,MnInF3,-6.035342326,-2.5057151411,0.0311785167,0.0311785167,GGA+U,R3m,A3BC_hR15_160_b_a_a:F-In-Mn,5.0,A3BC_cP5_221_c_a_b:F-In-Mn +mp-1422819,MnInF3,-6.035298128,-2.5056709431,0.0312227147,0.0312227147,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:F-In-Mn,5.0,A3BC_cP5_221_c_a_b:F-In-Mn +mp-1211711,KNa2Ga3(SiO4)3,-6.9472758738,-2.7341351011,0.0,-0.0318949102,GGA,P2_1/c,A3BC2D12E3_mP84_14_3e_e_2e_12e_3e:Ga-K-Na-O-Si,84.0,A3BC2D12E3_mP84_14_3e_e_2e_12e_3e:Ga-K-Na-O-Si +mp-14428,KNa4GaO4,-4.7358181466,-1.8142830478,0.0,-0.0177229345,GGA,Pbca,ABC4D4_oP80_61_c_c_4c_4c:Ga-K-Na-O,80.0,"Invalid WP multiplicities - ABC4D4_oP80_61_c_c_6c_7c:Ga-K-Na-O, expected KNa6GaO7 to be KNa4GaO4" +mp-17785,KNa2GaO3,-5.0247652989,-1.9356779146,0.0,-0.0089993069,GGA,Pnma,ABC2D3_oP28_62_c_c_d_a2c:Ga-K-Na-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_d_2a4c:Ga-K-Na-O, expected KNa2GaO6 to be KNa2GaO3" +mp-556002,Li6Cu(B2O5)2,-6.8368536295,-2.4684156264,0.0423717683,0.0423717683,GGA,P1,A4BC6D10_aP21_1_4a_a_6a_10a:B-Cu-Li-O,21.0,A4BC6D10_aP21_1_4a_a_6a_10a:B-Cu-Li-O +mp-1191302,Li6Cu(B2O5)2,-6.8686343233,-2.5001963202,0.0105910745,0.0105910745,GGA,P-1,A4BC6D10_aP21_2_2i_a_3i_5i:B-Cu-Li-O,21.0,A4BC6D10_aP21_2_2i_a_3i_5i:B-Cu-Li-O +mp-1198701,Li6Cu(B2O5)2,-6.8677048317,-2.4992668286,0.0115205661,0.0115205661,GGA,P-1,A4BC6D10_aP63_2_6i_ai_9i_15i:B-Cu-Li-O,63.0,A4BC6D10_aP63_2_6i_ai_9i_15i:B-Cu-Li-O +mp-771172,Li5Cu4(BO3)4,-6.5125653596,-2.0317944543,0.1264787817,0.1264787817,GGA,P1,A4B4C5D12_aP25_1_4a_4a_5a_12a:B-Cu-Li-O,25.0,A4B4C5D12_aP25_1_4a_4a_5a_12a:B-Cu-Li-O +mp-1202669,Li2CuB4(PbO5)2,-7.1541873395,-2.3369873006,0.0,-0.0001747791,GGA,C2/c,A4BC2D10E2_mC76_15_2f_c_f_5f_f:B-Cu-Li-O-Pb,38.0,A4BC2D10E2_mC76_15_2f_c_f_5f_f:B-Cu-Li-O-Pb +mp-1194301,Li3CuB3O7,-7.0583034511,-2.4518054824,0.0303646916,0.0303646916,GGA,P-1,A3BC3D7_aP28_2_3i_i_3i_7i:B-Cu-Li-O,28.0,A3BC3D7_aP28_2_3i_i_3i_7i:B-Cu-Li-O +mp-776378,LiCuBO3,-6.6142215361000005,-2.0262902959,0.1139378593,0.1139378593,GGA,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Cu-Li-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Cu-Li-O +mp-753416,LiCuBO3,-6.6352443275,-2.0473130873,0.0929150679,0.0929150679,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:B-Cu-Li-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:B-Cu-Li-O, expected LiCuBO5 to be LiCuBO3" +mp-753471,LiCuBO3,-6.6387705096000005,-2.0508392694,0.0893888858,0.0893888858,GGA,Cc,ABCD3_mC48_9_2a_2a_2a_6a:B-Cu-Li-O,24.0,"Invalid WP multiplicities - ABCD3_mC48_9_4a_4a_2a_12a:B-Cu-Li-O, expected LiCu2(BO3)2 to be LiCuBO3" +mp-774624,LiCuBO3,-6.6224642096,-2.0345329694,0.1056951858,0.1056951858,GGA,Pbca,ABCD3_oP48_61_c_c_c_3c:B-Cu-Li-O,48.0,"Invalid WP multiplicities - ABCD3_oP48_61_c_c_c_9c:B-Cu-Li-O, expected LiCuBO9 to be LiCuBO3" +mp-756867,LiCuBO3,-6.632222635,-2.0442913948,0.0959367604,0.0959367604,GGA,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Cu-Li-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_174_acf_k_j_4j3k:B-Cu-Li-O, expected LiCuBO7 to be LiCuBO3" +mp-1176747,LiCuBO3,-6.6188899706,-2.0309587303,0.1092694249,0.1092694249,GGA,P-6,ABCD3_hP18_174_acf_j_k_2jk:B-Cu-Li-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_174_acf_j_k_4j2k:B-Cu-Li-O, expected LiCuBO6 to be LiCuBO3" +mp-554812,CuB2(PbO3)2,-6.9973903409,-2.0370797392,0.0075042975,0.0075042975,GGA,P2_1/c,A2BC6D2_mP22_14_e_a_3e_e:B-Cu-O-Pb,22.0,"Invalid WP multiplicities - A2BC6D2_mP22_14_e_a_11e_e:B-Cu-O-Pb, expected CuB2(PbO11)2 to be CuB2(PbO3)2" +mp-560136,Cu3B4Pb2O11,-7.0496586602,-2.0069558074,0.0300330317,0.0300330317,GGA,P2/c,A4B3C11D2_mP40_13_2g_ag_e5g_g:B-Cu-O-Pb,40.0,"Invalid WP multiplicities - A4B3C11D2_mP40_13_5g_a2g_2e17g_g:B-Cu-O-Pb, expected Cu5B10(PbO18)2 to be Cu3B4Pb2O11" +mp-510608,ZnCuAsHO5,-5.7290846039000005,-1.4908359054,0.0070721774,0.0070721774,GGA,Pnnm,ABCD5E_oP36_58_g_e_g_3gh_g:As-Cu-H-O-Zn,36.0,ABCD5E_oP36_58_g_e_g_3gh_g:As-Cu-H-O-Zn +mp-1227926,Ca2YMn3O9,-8.1899765985,-2.6910489218,0.0126521811,0.0126521811,GGA+U,Pnma,A2B3C9D_oP60_62_2c_ad_3c3d_c:Ca-Mn-O-Y,60.0,"Invalid WP multiplicities - A2B3C9D_oP60_62_6c_4a4d_11c22d_c:Ca-Mn-O-Y, expected Ca6YMn12O55 to be Ca2YMn3O9" +mp-1227446,Ca2SmYMn4O12,-8.328698489,-2.7684693534,0.0076351065,0.0076351065,GGA+U,Pm,A2B4C12DE_mP20_6_ab_2c_2a2b4c_a_b:Ca-Mn-O-Sm-Y,20.0,"Invalid WP multiplicities - A2B4C12DE_mP20_6_ab_4c_2a2b8c_a_b:Ca-Mn-O-Sm-Y, expected Ca2SmYMn8O20 to be Ca2SmYMn4O12" +mp-1305431,CaYMn2O6,-8.418048878,-2.7704254935,0.0166913296,0.0166913296,GGA+U,Pm,AB2C6D_mP20_6_ab_2c_2a2b4c_ab:Ca-Mn-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_mP20_6_ab_3c_2a2b6c_ab:Ca-Mn-O-Y, expected CaYMn3O8 to be CaYMn2O6" +mp-1317719,CaYMn2O6,-8.4108984585,-2.763275074,0.0238417491,0.0238417491,GGA+U,Pc,AB2C6D_mP20_7_a_2a_6a_a:Ca-Mn-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_mP20_7_a_4a_10a_a:Ca-Mn-O-Y, expected CaYMn4O10 to be CaYMn2O6" +mp-1227126,CaYMn2O6,-8.4216027155,-2.773979331,0.0131374921,0.0131374921,GGA+U,Pmn2_1,AB2C6D_oP20_31_a_b_2a2b_a:Ca-Mn-O-Y,20.0,"Invalid WP multiplicities - AB2C6D_oP20_31_a_b_3a6b_a:Ca-Mn-O-Y, expected CaYMn2O15 to be CaYMn2O6" +mp-1047494,Ca2YMnO5,-7.9564526461,-3.0261048993,0.1316034184,0.1316034184,GGA+U,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Mn-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Mn-O-Y +mp-556440,CaZr4(PO4)6,-8.6059028314,-3.251710074,0.0,-0.0143502937,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Ca-O-P-Zr,35.0,"Invalid WP multiplicities - AB24C6D4_hR105_148_a_20f_f_4c:Ca-O-P-Zr, expected CaZr8(PO20)6 to be CaZr4(PO4)6" +mp-554495,CaZr(PO4)2,-8.3585058825,-3.2790546147,0.0,-0.0070146598,GGA,Pnma,AB8C2D_oP48_62_c_4c2d_2c_c:Ca-O-P-Zr,48.0,"Invalid WP multiplicities - AB8C2D_oP48_62_c_13c12d_6c_c:Ca-O-P-Zr, expected CaZrP6O37 to be CaZr(PO4)2" +mp-1228692,BaCaZr8(PO4)12,-8.6065063437,-3.2535510854,0.0029765479,0.0029765479,GGA,P-1,ABC48D12E8_aP70_2_b_e_24i_6i_4i:Ba-Ca-O-P-Zr,70.0,"Invalid WP multiplicities - ABC48D12E8_aP70_2_b_e_48i_12i_8i:Ba-Ca-O-P-Zr, expected BaCaZr16(PO4)24 to be BaCaZr8(PO4)12" +mp-1229190,BaCa3Zr16(PO4)24,-8.6046534053,-3.2510793974,0.0030394562,0.0030394562,GGA,P-1,AB3C96D24E16_aP140_2_b_di_48i_12i_8i:Ba-Ca-O-P-Zr,140.0,"Invalid WP multiplicities - AB3C96D24E16_aP140_2_b_d2i_96i_24i_16i:Ba-Ca-O-P-Zr, expected BaCa5Zr32(PO4)48 to be BaCa3Zr16(PO4)24" +mp-556139,BaZr(PO4)2,-8.3609489492,-3.2887164264,0.0,-0.0132930098,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Ba-O-P-Zr,12.0,"Invalid WP multiplicities - AB8C2D_mC24_12_a_3i3j_i_d:Ba-O-P-Zr, expected BaZr(PO9)2 to be BaZr(PO4)2" +mp-560620,BaZr(PO4)2,-8.3542247392,-3.2819922164,0.00672421,-0.0065687998,GGA,P-3m1,AB8C2D_hP12_164_a_di_d_b:Ba-O-P-Zr,12.0,"Invalid WP multiplicities - AB8C2D_hP12_164_a_d2i_d_b:Ba-O-P-Zr, expected BaZr(PO7)2 to be BaZr(PO4)2" +mp-1096801,BaZrP2,-6.1930591512,-0.8697390054,0.3095557345,0.3095557345,GGA,P6_3/mmc,AB2C_hP8_194_a_f_b:Ba-P-Zr,8.0,AB2C_hP8_194_a_f_b:Ba-P-Zr +mp-560308,BaZr4(PO4)6,-8.6130629517,-3.2613451926,0.0,-0.0206727911,GGA,R-3,AB24C6D4_hR105_148_a_4f_f_2c:Ba-O-P-Zr,35.0,"Invalid WP multiplicities - AB24C6D4_hR105_148_a_16f_f_2c:Ba-O-P-Zr, expected BaZr4(PO16)6 to be BaZr4(PO4)6" +mp-1521506,KEuHfFeO6,-8.549276206,-2.6018018806,0.1320094788,0.1320094788,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Hf-K-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Eu-Fe-Hf-K-O +mp-1518148,SrCaZnWO6,-7.372630891,-2.6133209469,0.1021788934,0.1021788934,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-W-Zn +mp-756174,Li2V2SiGeO10,-7.5676542631,-2.4738485837,0.0459912432,0.0459912432,GGA+U,Pm,AB2C10DE2_mP16_6_a_c_3a3b2c_b_ab:Ge-Li-O-Si-V,16.0,AB2C10DE2_mP16_6_a_c_3a3b2c_b_ab:Ge-Li-O-Si-V +mp-765775,Li2V2SiGeO10,-7.5526234637,-2.4588177843,0.0610220426,0.0610220426,GGA+U,C222,AB2C10DE2_oC32_21_a_f_k2l_b_k:Ge-Li-O-Si-V,16.0,"Invalid WP multiplicities - AB2C10DE2_oC32_21_a_f_2k4l_b_k:Ge-Li-O-Si-V, expected Li2V2SiGeO20 to be Li2V2SiGeO10" +mp-766106,Li2V2SiGeO10,-7.5538556075,-2.4600499281,0.0597898989,0.0597898989,GGA+U,Pccm,AB2C10DE2_oP32_49_e_j_q2r_f_q:Ge-Li-O-Si-V,32.0,"Invalid WP multiplicities - AB2C10DE2_oP32_49_e_j_4q11r_f_q:Ge-Li-O-Si-V, expected Li2V2SiGeO52 to be Li2V2SiGeO10" +mp-1222533,Li4SiGe3O10,-6.6447892833,-2.400512607,0.0415580005,0.0415580005,GGA,P1,A3B4C10D_aP18_1_3a_4a_10a_a:Ge-Li-O-Si,18.0,A3B4C10D_aP18_1_3a_4a_10a_a:Ge-Li-O-Si +mp-769539,Li7VGeO8,-6.2850762574,-2.3649054525,0.0299842176,0.0299842176,GGA+U,P1,AB7C8D_aP34_1_2a_14a_16a_2a:Ge-Li-O-V,34.0,AB7C8D_aP34_1_2a_14a_16a_2a:Ge-Li-O-V +mp-849771,Li7VGeO8,-6.2567929391,-2.3366221343,0.0582675359,0.0582675359,GGA+U,Pm,AB7C8D_mP34_6_2a_2a2b5c_4a4b4c_2b:Ge-Li-O-V,34.0,AB7C8D_mP34_6_2a_2a2b5c_4a4b4c_2b:Ge-Li-O-V +mp-850438,LiVGeO5,-7.3087657019,-2.2651031584,0.0315908511,0.0315908511,GGA+U,P2_1/m,ABC5D_mP16_11_e_a_3ef_e:Ge-Li-O-V,16.0,"Invalid WP multiplicities - ABC5D_mP16_11_e_a_5e2f_e:Ge-Li-O-V, expected LiVGeO9 to be LiVGeO5" +mp-763317,LiVGeO5,-7.2898746612,-2.2462121178,0.0504818918,0.0504818918,GGA+U,Cmme,ABC5D_oC32_67_a_d_go_g:Ge-Li-O-V,16.0,"Invalid WP multiplicities - ABC5D_oC32_67_a_d_2g3o_g:Ge-Li-O-V, expected LiVGeO14 to be LiVGeO5" +mp-25277,Li3V2(GeO5)2,-7.1535454138,-2.2942793219,0.0567288902,0.0567288902,GGA+U,Cmce,A2B3C10D2_oC68_64_e_ac_f2g_f:Ge-Li-O-V,34.0,"Invalid WP multiplicities - A2B3C10D2_oC68_64_e_2a2c_2f11g_f:Ge-Li-O-V, expected Li3VGeO24 to be Li3V2(GeO5)2" +mp-766048,Li4V2SiGeO10,-7.3116499967,-2.5717201853,0.0044043138,0.0044043138,GGA+U,Pccm,AB4C10DE2_oP36_49_e_bcj_q2r_f_q:Ge-Li-O-Si-V,36.0,"Invalid WP multiplicities - AB4C10DE2_oP36_49_e_2bc3j_4q11r_f_q:Ge-Li-O-Si-V, expected Li9V2SiGeO52 to be Li4V2SiGeO10" +mp-772830,Li4V2SiGeO10,-7.3117112172,-2.5717814059,0.0043430933,0.0043430933,GGA+U,P-4m2,AB4C10DE2_tP18_115_a_i_gjk_b_g:Ge-Li-O-Si-V,36.0,AB4C10DE2_tP18_115_a_i_gjk_b_g:Ge-Li-O-Si-V +mp-1235198,LiV4(GeO4)4,-7.5858959964,-2.1505488785,0.1578901834,0.1578901834,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Li-O-V,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Li-O-V +mp-1235479,LiV4(GeO4)4,-7.5537042208,-2.1183571029,0.190081959,0.190081959,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Li-O-V,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Li-O-V +mp-1232981,LiV4(GeO4)4,-7.530010982,-2.0946638641,0.2137751978,0.2137751978,GGA+U,P2,A4BC16D4_mP25_3_abcd_a_8e_abcd:Ge-Li-O-V,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_3_abcd_a_16e_abcd:Ge-Li-O-V, expected LiV4(GeO8)4 to be LiV4(GeO4)4" +mp-559680,LiV(GeO3)2,-7.2832352038,-2.2913335123,0.0,-0.0194724503,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Li-O-V,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Li-O-V +mp-18809,Li2VGeO5,-7.0760384994,-2.3806803645,0.0048966504,0.0048966504,GGA+U,P4/nmm,AB2C5D_tP18_129_a_e_ci_c:Ge-Li-O-V,36.0,AB2C5D_tP18_129_a_e_ci_c:Ge-Li-O-V +mp-1013916,Li3V2(GeO4)3,-7.0767681906,-2.2205717486,0.0902031511,0.0902031511,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Li-O-V,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Li-O-V +mp-1522734,NaPrYFeO6,-7.519350066,-2.4473445021,0.2008651485,0.2008651485,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Pr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-Na-O-Pr-Y +mp-1196102,FeGe3H4PbO10,-6.4389665997,-1.7500432767,0.0,-0.0030816024,GGA+U,P2_1/m,AB3C4D10E_mP38_11_a_df_2f_2e4f_e:Fe-Ge-H-O-Pb,38.0,AB3C4D10E_mP38_11_a_cf_2f_2e4f_e:Fe-Ge-H-O-Pb +mp-1210312,RbNa3W2O17,-5.6256053691,-0.6274280429,0.7288754344,0.7288754344,GGA+U,P6_3/m,A3B17CD2_hP46_176_h_fh2i_a_f:Na-O-Rb-W,46.0,A3B17CD2_hP46_176_h_fh2i_a_f:Na-O-Rb-W +mp-1104817,Rb3Na(WO4)2,-7.2222448964,-2.2398236349,0.0025543536,0.0025543536,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Na-O-Rb-W,14.0,AB8C3D2_hP14_164_a_di_bd_d:Na-O-Rb-W +mp-2226963,Rb3NaMg(WO4)2,-6.79644443,-2.0394992493,0.2375840966,0.2375840966,GGA+U,C2/m,ABC8D3E2_mC30_12_b_a_2ij_ci_i:Mg-Na-O-Rb-W,15.0,"Invalid WP multiplicities - ABC8D3E2_mC30_12_a_b_3i2j_ci_i:Mg-Na-O-Rb-W, expected Rb3NaMg(WO7)2 to be Rb3NaMg(WO4)2" +mp-2226709,Rb3NaMg(WO4)2,-6.7320096647,-1.9750644839,0.3020188619,0.3020188619,GGA+U,P3m1,ABC8D3E2_hP15_156_a_a_bc2d_abc_bc:Mg-Na-O-Rb-W,15.0,ABC8D3E2_hP15_156_a_a_bc2d_abc_bc:Mg-Na-O-Rb-W +mp-17288,Li2ZnSiO4,-6.4285286922,-2.6423209149,0.0,-0.0317888003,GGA,P2_1/c,A2B4CD_mP32_14_2e_4e_e_e:Li-O-Si-Zn,32.0,"Invalid WP multiplicities - A2B4CD_mP32_14_3e_6e_e_e:Li-O-Si-Zn, expected Li3ZnSiO6 to be Li2ZnSiO4" +mp-1222477,LiVZnO4,-6.8668971414,-2.2898503712,0.0,-0.0282012448,GGA+U,R3,AB4CD_hR126_146_2b_8b_2b_2b:Li-O-V-Zn,42.0,AB4CD_hR126_146_2b_8b_2b_2b:Li-O-V-Zn +mp-1222531,Li3V8ZnO16,-8.1070743864,-2.4354750954,0.0388495824,0.0388495824,GGA+U,P-4m2,A3B16C8D_tP28_115_ag_2j2k_jk_c:Li-O-V-Zn,28.0,"Invalid WP multiplicities - A3B16C8D_tP28_115_ag_8j7k_4j3k_c:Li-O-V-Zn, expected Li3V28ZnO60 to be Li3V8ZnO16" +mp-1290989,LiV3Zn2O8,-7.4057438439,-2.3161982735,0.0045252011,-0.0003904299,GGA+U,P1,AB8C3D2_aP28_1_2a_16a_6a_4a:Li-O-V-Zn,28.0,AB8C3D2_aP28_1_2a_16a_6a_4a:Li-O-V-Zn +mp-1311636,LiV3Zn2O8,-7.4053148914,-2.315769321,0.0049541536,3.85226e-05,GGA+U,P1,AB8C3D2_aP28_1_2a_16a_6a_4a:Li-O-V-Zn,28.0,AB8C3D2_aP28_1_2a_16a_6a_4a:Li-O-V-Zn +mp-1280709,LiV3Zn2O8,-7.410269045,-2.3207234745,0.0,-0.004915631,GGA+U,C2/m,AB8C3D2_mC28_12_a_2ij_ce_i:Li-O-V-Zn,28.0,"Invalid WP multiplicities - AB8C3D2_mC28_12_c_3i2j_2b2e_i:Li-O-V-Zn, expected LiV6Zn2O14 to be LiV3Zn2O8" +mp-1302478,LiV3Zn2O8,-7.40992803,-2.3203824595,0.000341015,-0.004574616,GGA+U,C2/c,AB8C3D2_mC56_15_e_4f_abc_f:Li-O-V-Zn,28.0,"Invalid WP multiplicities - AB8C3D2_mC56_15_e_8f_2abc_f:Li-O-V-Zn, expected LiV4Zn2O16 to be LiV3Zn2O8" +mp-1303832,LiV3Zn2O8,-7.4084629286,-2.3189173581,0.0018061164,-0.0031095145,GGA+U,C2/c,AB8C3D2_mC56_15_c_4f_abe_f:Li-O-V-Zn,28.0,"Invalid WP multiplicities - AB8C3D2_mC56_15_a_11f_cde_f:Li-O-V-Zn, expected LiV3Zn2O22 to be LiV3Zn2O8" +mp-754080,LiV3Zn2O8,-7.3815902936,-2.2920447231,0.0286787514,0.0237631205,GGA+U,R-3m,AB8C3D2_hR42_166_a_ch_d_c:Li-O-V-Zn,14.0,"Invalid WP multiplicities - AB8C3D2_hR42_166_a_2c2h_d_c:Li-O-V-Zn, expected LiV3Zn2O16 to be LiV3Zn2O8" +mp-571566,Li2ZnSi,-2.8934217106,-0.2676948673,0.0,-0.0654177977,GGA,P-3m1,A2BC_hP16_164_4d_2d_2c:Li-Si-Zn,16.0,A2BC_hP8_194_f_c_b:Li-Si-Zn +mp-1087492,Li2ZnSi,-2.7902487863000003,-0.1645219429,0.1031729244,0.0377551266,GGA,P-3m1,A2BC_hP8_164_cd_d_d:Li-Si-Zn,8.0,A2BC_hP8_164_cd_d_d:Li-Si-Zn +mp-1080501,Li2ZnSi,-2.574570495,0.0511563483,0.3188512156,0.2534334179,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:Li-Si-Zn,8.0,A2BC_hP8_194_f_a_c:Li-Si-Zn +mp-1185209,Li2ZnSi,-2.8930432963,-0.2673164529,0.0003784144,-0.0650393834,GGA,P6_3/mmc,A2BC_hP8_194_f_c_b:Li-Si-Zn,8.0,A2BC_hP8_194_f_c_b:Li-Si-Zn +mp-1235640,LiV2Zn2(SiO5)2,-7.4212232065,-2.5439440653,0.0806252386,0.0806252386,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-Si-V-Zn +mp-1236536,LiV2Zn2(SiO5)2,-7.3467708265,-2.4694916853,0.1550776186,0.1550776186,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-Si-V-Zn +mp-1235244,LiV2Zn2(SiO5)2,-7.3892210394,-2.5119418983,0.1126274056,0.1126274056,GGA+U,P-1,AB10C2D2E2_aP17_2_a_5i_i_be_i:Li-O-Si-V-Zn,17.0,"Invalid WP multiplicities - AB10C2D2E2_aP17_2_a_9i_i_be_i:Li-O-Si-V-Zn, expected LiV2Zn2(SiO9)2 to be LiV2Zn2(SiO5)2" +mp-1236082,LiV2Zn2(SiO5)2,-7.3685913312,-2.49131219,0.1332571139,0.1332571139,GGA+U,P-1,AB10C2D2E2_aP17_2_d_5i_i_ab_i:Li-O-Si-V-Zn,17.0,"Invalid WP multiplicities - AB10C2D2E2_aP17_2_d_9i_i_ab_i:Li-O-Si-V-Zn, expected LiV2Zn2(SiO9)2 to be LiV2Zn2(SiO5)2" +mp-1236180,LiV2Zn2(SiO5)2,-7.3771378976,-2.4998587565,0.1247105474,0.1247105474,GGA+U,P-1,AB10C2D2E2_aP17_2_a_5i_i_be_i:Li-O-Si-V-Zn,17.0,"Invalid WP multiplicities - AB10C2D2E2_aP17_2_a_9i_i_be_i:Li-O-Si-V-Zn, expected LiV2Zn2(SiO9)2 to be LiV2Zn2(SiO5)2" +mp-677378,TiNbTl(O2F)2,-7.8953201017,-3.0098586591,0.0388715074,0.0388715074,GGA,Cc,A2BC4DE_mC36_9_2a_a_4a_a_a:F-Nb-O-Ti-Tl,18.0,"Invalid WP multiplicities - A2BC4DE_mC36_9_4a_a_8a_a_a:F-Nb-O-Ti-Tl, expected TiNbTl(O2F)4 to be TiNbTl(O2F)2" +mp-1216909,TiNbTlO5,-8.5022528647,-2.8656423947,0.0,-0.0170341068,GGA,Pnma,AB5CD_oP32_62_c_5c_c_c:Nb-O-Ti-Tl,32.0,AB5CD_oP32_62_c_5c_c_c:Nb-O-Ti-Tl +mp-1216944,TiNb6Tl2O18,-8.9013083667,-2.8913452055,0.0,-0.0137485459,GGA,C2,A6B18CD2_mC54_5_3c_9c_a_c:Nb-O-Ti-Tl,27.0,"Invalid WP multiplicities - A6B18CD2_mC54_5_6c_18c_a_c:Nb-O-Ti-Tl, expected TiNb12Tl2O36 to be TiNb6Tl2O18" +mp-1047556,Ca2YNiO5,-7.2899538222,-2.7353703656,0.1167312094,0.1167312094,GGA+U,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Ni-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Ni-O-Y +mp-1227044,CaYAlO4,-8.1553245886,-3.5832672074,0.0433689226,0.0433689226,GGA,I4mm,ABC4D_tI14_107_a_a_2ab_a:Al-Ca-O-Y,7.0,ABC4D_tI14_107_a_a_2ab_a:Al-Ca-O-Y +mp-1227119,CaYAl3O7,-8.0841934504,-3.5562251619,0.0226300004,0.0226300004,GGA,P2_1,A3BC7D_mP24_4_3a_a_7a_a:Al-Ca-O-Y,24.0,A3BC7D_mP24_4_3a_a_7a_a:Al-Ca-O-Y +mp-1227104,CaYAl3O7,-8.0810556433,-3.5530873548,0.0257678075,0.0257678075,GGA,Cmm2,A3BC7D_oC48_35_cde_d_abde2f_e:Al-Ca-O-Y,24.0,"Invalid WP multiplicities - A3BC7D_oC48_35_c2d2e_d_ab2d2e7f_e:Al-Ca-O-Y, expected CaYAl5O19 to be CaYAl3O7" +mp-1210021,NaFeAsO4F,-6.5766669744,-2.0579296343,0.0,-0.0361272071,GGA+U,C2/c,ABCDE4_mC32_15_e_e_a_e_2f:As-F-Fe-Na-O,32.0,ABCDE4_mC32_15_e_e_a_e_2f:As-F-Fe-Na-O +mp-1516254,BaNaBiWO6,-7.271647454,-2.2996222679,0.0448864262,0.0448864262,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-Na-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-Na-O-W, expected BaNa2BiWO12 to be BaNaBiWO6" +mp-1516358,BaNaBiWO6,-7.252600071,-2.2805748849,0.0639338092,0.0639338092,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Na-O-W +mp-1520885,Ba2BiWO6,-7.528149578,-2.4964794273,0.0769955413,0.0769955413,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-W,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Bi-O-W +mp-1520718,Ba2BiWO6,-7.454698446,-2.4230282953,0.1504466733,0.1504466733,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Bi-O-W +mp-20028,FeBPbO4,-7.6078128507,-2.0865535799,0.0,-0.0049224462,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:B-Fe-O-Pb,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_2c2d_c:B-Fe-O-Pb, expected FeBPbO6 to be FeBPbO4" +mp-1096865,AlFe2BO5,-8.2256620178,-2.4369449537,6.26755e-05,6.26755e-05,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:Al-B-Fe-O,36.0,ABC2D5_oP36_55_g_g_adh_3g2h:Al-B-Fe-O +mp-3805,Al(FeB)2,-7.210063552,-0.4011831937,0.0,-0.0508601851,GGA,Cmmm,AB2C2_oC10_65_a_g_h:Al-B-Fe,5.0,AB2C2_oC10_65_a_g_h:Al-B-Fe +mp-1229147,AlFeB2(PbO4)2,-7.5829782929,-2.3991794063,0.0045617446,0.0045617446,GGA+U,P2_1/c,AB2CD8E2_mP28_14_a_e_b_4e_e:Al-B-Fe-O-Pb,28.0,AB2CD8E2_mP28_14_a_e_d_4e_e:Al-B-Fe-O-Pb +mp-1206715,AlFe3B,-7.313583432,-0.1465771858,0.168673687,0.168673687,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-B-Fe,5.0,ABC3_cP5_221_a_b_c:Al-B-Fe +mp-1226374,CrBiWO6,-8.0844283328,-1.8475617664,0.2896862939,0.2896862939,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_b:Bi-Cr-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e2j_b:Bi-Cr-O-W, expected CrBiWO12 to be CrBiWO6" +mp-1190350,Ho2ZnTe2(SO7)2,-6.8656668595,-2.3781566296,0.0044801917,0.0044801917,GGA,P-1,A2B14C2D2E_aP21_2_i_7i_i_i_a:Ho-O-S-Te-Zn,21.0,A2B14C2D2E_aP21_2_i_7i_i_i_a:Ho-O-S-Te-Zn +mp-1193207,Ho2ZnS4,-5.8370719568,-1.9841632686,0.0126937209,0.0126937209,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ho-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Ho-S-Zn +mp-555681,La3CuS3O2,-7.3210531464,-2.7421692566,0.0,-0.0013278872,GGA,Pnma,AB3C2D3_oP36_62_c_3c_2c_3c:Cu-La-O-S,36.0,"Invalid WP multiplicities - AB3C2D3_oP36_62_c_8c_6c_9c:Cu-La-O-S, expected La8Cu(S3O2)3 to be La3CuS3O2" +mp-1223604,La4Ti5(S6O)2,-7.4191484396,-2.2560065122,0.0309510151,0.0309510151,GGA,Pm,A4B2C12D5_mP46_6_4c_4a_4a8b6c_6a4b:La-O-S-Ti,46.0,"Invalid WP multiplicities - A4B2C12D5_mP46_6_8c_4a_4a8b10c_6a4b:La-O-S-Ti, expected La8Ti5(S8O)2 to be La4Ti5(S6O)2" +mp-6088,LaCuSO,-6.8852715025,-2.3556834142,0.0,-0.0168222009,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-La-O-S,8.0,ABCD_tP8_129_a_c_b_c:Cu-La-O-S +mp-662600,La20Ti11(S22O3)2,-7.298638197,-2.3942618922,0.0,-0.0119400054,GGA,Pmmn,A20B6C44D11_oP162_59_4e3g_e2f_5e3f7g_3a2fg:La-O-S-Ti,162.0,"Invalid WP multiplicities - A20B6C44D11_oP162_59_16e21g_4e7f_20e9f51g_6a5f7g:La-O-S-Ti, expected La58Ti22S131O11 to be La20Ti11(S22O3)2" +mp-554286,La6Ti2S8O5,-7.8331028007,-2.9172899838,0.0003873524,0.0003873524,GGA,P2_1/m,A6B5C8D2_mP42_11_6e_5e_8e_2e:La-O-S-Ti,42.0,"Invalid WP multiplicities - A6B5C8D2_mP42_11_11e_8e_15e_3e:La-O-S-Ti, expected La11Ti3S15O8 to be La6Ti2S8O5" +mp-559474,La5Ti2CuS5O7,-8.0732601723,-3.0792953452,0.0,-0.028153693,GGA,Pnma,AB5C7D5E2_oP80_62_c_5c_7c_5c_2c:Cu-La-O-S-Ti,80.0,"Invalid WP multiplicities - AB5C7D5E2_oP80_62_c_16c_25c_18c_7c:Cu-La-O-S-Ti, expected La16Ti7CuS18O25 to be La5Ti2CuS5O7" +mp-1223217,La4Ti3(SO2)4,-8.5041276984,-3.2646638233,0.0,-0.0038475764,GGA,C2,A4B8C4D3_mC76_5_4c_8c_4c_ab2c:La-O-S-Ti,38.0,A4B8C4D3_mC76_5_4c_8c_4c_ab2c:La-O-S-Ti +mp-1223375,La5Cu6S7O4,-6.5124975427,-2.0571712037,0.0089063366,0.0089063366,GGA,Ima2,A6B5C4D7_oI88_46_2a2c_b2c_2c_3b2c:Cu-La-O-S,44.0,A6B5C4D7_oI88_46_2a2c_b2c_2c_3b2c:Cu-La-O-S +mp-1213297,La2CuS2O,-5.5176779617000005,-0.9858764075,1.5408012941,1.5408012941,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-S,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-S +mp-1046508,Mg4Ni5(TeO6)3,-6.33705777,-1.8779871672,0.0237543165,0.0237543165,GGA+U,C2/c,A4B5C18D3_mC120_15_2f_e2f_9f_af:Mg-Ni-O-Te,60.0,"Invalid WP multiplicities - A4B5C18D3_mC120_15_6f_e4f_35f_c2f:Mg-Ni-O-Te, expected Mg12Ni9(TeO14)5 to be Mg4Ni5(TeO6)3" +mp-2233001,MgV2Ni(TeO5)2,-7.0132253575,-1.9318673719,0.1346648389,0.1346648389,GGA+U,P1,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V,16.0,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V +mp-2233019,MgV2Ni(TeO5)2,-6.9842911606,-1.9029331751,0.1635990358,0.1635990358,GGA+U,P1,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V,16.0,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V +mp-2233187,MgV2Ni(TeO5)2,-6.9887359438,-1.9073779582,0.1591542527,0.1591542527,GGA+U,P1,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V,16.0,ABC10D2E2_aP16_1_a_a_10a_2a_2a:Mg-Ni-O-Te-V +mp-2233099,MgV2Ni(TeO5)2,-6.9915186969,-1.9101607113,0.1563714995,0.1563714995,GGA+U,P-1,ABC10D2E2_aP16_2_a_c_5i_i_i:Mg-Ni-O-Te-V,16.0,"Invalid WP multiplicities - ABC10D2E2_aP16_2_a_c_9i_i_i:Mg-Ni-O-Te-V, expected MgV2Ni(TeO9)2 to be MgV2Ni(TeO5)2" +mp-1046569,Mg4V5(TeO6)3,-7.2926523442,-2.2829535098,0.1295876776,0.1295876776,GGA+U,C2/c,A4B18C3D5_mC120_15_2f_9f_af_e2f:Mg-O-Te-V,60.0,"Invalid WP multiplicities - A4B18C3D5_mC120_15_6f_35f_c2f_e4f:Mg-O-Te-V, expected Mg12V9(TeO14)5 to be Mg4V5(TeO6)3" +mp-1035197,Mg14VNiO16,-6.505532845,-2.8675646316,0.0475505091,0.0475505091,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-V,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-V, expected Mg18VNiO20 to be Mg14VNiO16" +mp-1034890,Mg14VNiO16,-6.5068368609,-2.8688686475000003,0.0462464931,0.0462464931,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-V,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-V, expected Mg30VNiO32 to be Mg14VNiO16" +mp-2229502,MgNi(TeO3)4,-5.9438379028,-1.5375098562,0.119402591,0.119402591,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te +mp-2229023,MgNi(TeO3)4,-5.9565688889,-1.5502408423,0.1066716049,0.1066716049,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te +mp-2229311,MgNi(TeO3)4,-5.9203253928,-1.5139973462,0.142915101,0.142915101,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te +mp-2229612,MgNi(TeO3)4,-5.9045660889,-1.4982380423,0.1586744049,0.1586744049,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te,18.0,ABC12D4_aP18_1_a_a_12a_4a:Mg-Ni-O-Te +mp-2217101,MgV2NiO6,-7.509526415,-1.9866903013,0.389254828,0.389254828,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Mg-Ni-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Mg-Ni-O-V +mp-2222911,MgV2NiO6,-7.353058444,-1.8302223303,0.545722799,0.545722799,GGA+U,P1,ABC6D2_aP10_1_a_a_6a_2a:Mg-Ni-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Mg-Ni-O-V +mp-2217145,MgV2NiO6,-7.820042225,-2.2972061113,0.078739018,0.078739018,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Mg-Ni-O-V,10.0,ABC6D2_aP10_1_a_a_6a_2a:Mg-Ni-O-V +mp-1037092,Mg30VNiO32,-6.4220780527,-2.9663517556,0.0182259644,0.0182259644,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-V, expected Mg110VNiO72 to be Mg30VNiO32" +mp-1037021,Mg30VNiO32,-6.4217497741,-2.966023477,0.018554243,0.018554243,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-V, expected Mg90VNiO80 to be Mg30VNiO32" +mp-1233637,MgV4(NiO6)2,-7.7059964516,-1.9767100187,0.2913337488,0.2913337488,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Ni-O-V,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Ni-O-V +mp-1234565,MgV4(NiO6)2,-7.7166818105,-1.9873953776,0.2806483898,0.2806483898,GGA+U,P1,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Ni-O-V,19.0,AB2C12D4_aP19_1_a_2a_12a_4a:Mg-Ni-O-V +mp-1233433,MgV4(NiO6)2,-7.9009763068,-2.1716898739,0.0963538935,0.0963538935,GGA+U,C2,AB2C12D4_mC38_5_a_ab_6c_2c:Mg-Ni-O-V,19.0,"Invalid WP multiplicities - AB2C12D4_mC38_5_a_ab_12c_4c:Mg-Ni-O-V, expected MgV8(NiO12)2 to be MgV4(NiO6)2" +mp-2229028,MgV(TeO3)4,-6.3867504544,-1.796879664,0.0571748807,0.0571748807,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V +mp-2229314,MgV(TeO3)4,-6.3345815717,-1.7447107812,0.1093437635,0.1093437635,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V +mp-2229134,MgV(TeO3)4,-6.3136286394,-1.723757849,0.1302966957,0.1302966957,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Te-V +mp-1031776,Mg6VNiO8,-6.6810930569,-2.6786410106,0.0975489713,0.0975489713,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-V, expected Mg6VNiO12 to be Mg6VNiO8" +mp-1031827,Mg6VNiO8,-6.6432261588,-2.6407741125,0.1354158694,0.1354158694,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-V, expected Mg6VNiO12 to be Mg6VNiO8" +mp-2224276,MgV3NiO8,-7.90340982,-2.19528331,0.2049338419,0.2049338419,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Mg-Ni-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Mg-Ni-O-V +mp-1195518,Na3Tm(SiO3)3,-7.4555324448,-3.1280597076,0.0,-0.0167389608,GGA,P2_12_12_1,A3B9C3D_oP256_19_12a_36a_12a_4a:Na-O-Si-Tm,256.0,A3B9C3D_oP256_19_12a_36a_12a_4a:Na-O-Si-Tm +mp-555421,Na3TmSi2O7,-7.2183088723,-3.070549769,0.0,-0.016336464,GGA,P6_3,A3B7C2D_hP78_173_a2b2c_7c_2c_a2b:Na-O-Si-Tm,78.0,"Invalid WP multiplicities - A3B7C2D_hP78_173_2a4b9c_38c_9c_a4b:Na-O-Si-Tm, expected Na33Tm5(Si9O38)3 to be Na3TmSi2O7" +mp-1192572,Na5Tm4Si4O16F,-7.579663634,-3.3371390131,0.0,-0.0041241372,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Tm,30.0,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Tm +mp-1154662,Y2Si3(SnO4)3,-7.8957690911,-2.8658752703,0.1372011152,0.1372011152,GGA,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:O-Si-Sn-Y,80.0,A12B3C3D2_cI160_230_h_d_c_a:O-Si-Sn-Y +mp-1044157,Y4Si2Sn13(SbO14)2,-6.9996464294,-2.1913557963,0.2318916883,0.2318916883,GGA,C2/m,A28B2C2D13E4_mC98_12_2i6j_g_i_a2g2j_j:O-Sb-Si-Sn-Y,49.0,"Invalid WP multiplicities - A28B2C2D13E4_mC98_12_4i21j_g_i_a4g7j_j:O-Sb-Si-Sn-Y, expected Y4Si2Sn37(SbO46)2 to be Y4Si2Sn13(SbO14)2" +mp-777892,Li4V2Fe3Sb3O16,-7.0712480011,-1.9731197748,0.1298945567,0.1298945567,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-Sb-V,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-Sb-V +mp-1216330,VFeSbO6,-7.7667611483,-2.0597543942,0.0,-0.0078350926,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Fe-O-Sb-V,18.0,AB6CD_tP18_102_a_3c_a_a:Fe-O-Sb-V +mp-775441,Li4V3Fe3(SbO8)2,-7.4336320379,-2.1585429248,0.0161050042,0.0161050042,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-V +mp-774602,Li4V3Fe3(SbO8)2,-7.4058862243,-2.1307971112,0.0438508178,0.0438508178,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sb-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sb-V +mp-850537,Li4V3Fe2Sb3O16,-7.2626723939,-2.1426197083,0.0391662668,0.0391662668,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Fe-Li-O-Sb-V,28.0,"Invalid WP multiplicities - A2B4C16D3E3_mC56_8_2a_4a_8a6b_ab_ab:Fe-Li-O-Sb-V, expected Li4V3Fe2Sb3O20 to be Li4V3Fe2Sb3O16" +mp-768609,Li3SiBiCO7,-6.8658551785,-2.3390811607,0.0738422674,0.0738422674,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Bi-C-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Bi-C-Li-O-Si, expected Li4SiBiCO13 to be Li3SiBiCO7" +mp-557355,Rb2SiP4O13,-7.4050729765,-2.7377455041000003,0.0,-0.0067600409,GGA,P-1,A13B4C2D_aP40_2_13i_4i_2i_i:O-P-Rb-Si,40.0,"Invalid WP multiplicities - A13B4C2D_aP40_2_23i_6i_2i_i:O-P-Rb-Si, expected Rb2SiP6O23 to be Rb2SiP4O13" +mp-1209611,Rb2TiSi3O10,-7.5492165767,-2.8242539915,0.1155317152,0.1155317152,GGA,P2_12_12_1,A10B2C3D_oP64_19_10a_2a_3a_a:O-Rb-Si-Ti,64.0,A10B2C3D_oP64_19_10a_2a_3a_a:O-Rb-Si-Ti +mp-18582,Rb2Ti(Si2O5)3,-8.0531380525,-3.1944380937,0.0,-0.0090689225,GGA,Cc,A15B2C6D_mC96_9_15a_2a_6a_a:O-Rb-Si-Ti,48.0,A15B2C6D_mC96_9_15a_2a_6a_a:O-Rb-Si-Ti +mp-17037,Rb2Ti(SiO3)3,-7.845952264,-3.1357714205,0.0,-0.0233032179,GGA,P6_3/m,A9B2C3D_hP30_176_hi_f_h_b:O-Rb-Si-Ti,30.0,A9B2C3D_hP30_176_hi_f_h_b:O-Rb-Si-Ti +mp-1209312,RbTi3Si2P6O25,-8.1800566782,-2.9999302187,0.0,-0.0005564214,GGA,P-31c,A25B6CD2E3_hP74_163_b4i_i_c_e_df:O-P-Rb-Si-Ti,74.0,A25B6CD2E3_hP74_163_b4i_i_c_e_df:O-P-Rb-Si-Ti +mp-727374,HgAsC4Se3N,-5.253596369,0.8165726408,1.0052765441,1.0052765441,GGA,P2_1/c,AB4CDE3_mP40_14_e_4e_e_e_3e:As-C-Hg-N-Se,40.0,AB4CDE3_mP40_14_e_4e_e_e_3e:As-C-Hg-N-Se +mp-1204453,HgAsC4Se3N,-5.2171448895,0.8530241203000001,1.0417280236,1.0417280236,GGA,P2_1/c,AB4CDE3_mP40_14_e_4e_e_e_3e:As-C-Hg-N-Se,40.0,AB4CDE3_mP40_14_e_4e_e_e_3e:As-C-Hg-N-Se +mp-1517988,KSrNdSeO6,-6.461609571,-2.3872012132,0.145052529,0.145052529,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-Nd-O-Se-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-Nd-O-Se-Sr +mp-1211600,KNd(SeO4)2,-6.3792851719,-2.0089619198,0.0,-0.1421610497,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:K-Nd-O-Se,48.0,ABC8D2_mP48_14_e_e_8e_2e:K-Nd-O-Se +mp-14316,KPr(SeO4)2,-6.3833492829,-2.0119628373,0.0,-0.148070243,GGA,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:K-O-Pr-Se,48.0,"Invalid WP multiplicities - AB8CD2_mP48_14_e_8e_e_5e:K-O-Pr-Se, expected KPrSe5O8 to be KPr(SeO4)2" +mp-1517350,KSrPrSeO6,-6.446710645,-2.371026455,0.1496146146,0.1496146146,GGA,F-43m,AB6CDE_cF40_216_c_f_a_b_d:K-O-Pr-Se-Sr,10.0,AB6CDE_cF40_216_c_f_a_b_d:K-O-Pr-Se-Sr +mp-1521753,NaPrYSbO6,-7.426479125,-2.7885755581,0.1936796318,0.1936796318,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Sb-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-Sb-Y +mp-686442,Ba20Y10Cu(Ru3O20)3,-7.6715564277,-2.7974128063,0.0062482626,0.0062482626,GGA,P2/m,A20BC60D9E10_mP200_10_10m10n_m_10m10n20o_bcdh3m4n_5m5n:Ba-Cu-O-Ru-Y,200.0,"Invalid WP multiplicities - A20BC60D9E10_mP200_10_19m20n_m_18m19n76o_bceg6m8n_9m9n:Ba-Cu-O-Ru-Y, expected Ba39Y18CuRu16O189 to be Ba20Y10Cu(Ru3O20)3" +mp-865588,Y2CuRu,-6.896476705,-0.3198388458,0.0,-0.0170907013,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Cu-Ru-Y +mp-1223663,K2CaPrO4,-6.1476090475,-2.5483517507,0.0639625156,0.0639625156,GGA,P2/m,AB2C4D_mP8_10_b_ch_mn_d:Ca-K-O-Pr,8.0,"Invalid WP multiplicities - AB2C4D_mP8_10_b_ce_2m2n_g:Ca-K-O-Pr, expected K2CaPrO8 to be K2CaPrO4" +mp-1520016,KCaPrSbO6,-6.628812291,-2.458208482,0.185793525,0.185793525,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ca-K-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ca-K-O-Pr-Sb +mp-1225986,Cu2Ag5Se4NO15,-5.3092294633,-0.9062048389,0.0,-0.0181434412,GGA,P1,A5B2CD15E4_aP27_1_5a_2a_a_15a_4a:Ag-Cu-N-O-Se,27.0,A5B2CD15E4_aP27_1_5a_2a_a_15a_4a:Ag-Cu-N-O-Se +mp-1215115,Ag3Se3NO3,-3.930591005,0.2856053452,0.906386511,0.906386511,GGA,Cc,A3BC3D3_mC40_9_3a_a_3a_3a:Ag-N-O-Se,,"Invalid WP multiplicities - A3BC3D3_mC40_9_6a_a_6a_6a:Ag-N-O-Se, expected Ag6Se6NO6 to be Ag3Se3NO3" +mp-1237841,Ag3Se3NO3,-4.4330182635,-0.2168219133,0.4039592525,0.4039592525,GGA,Cc,A3BC3D3_mC40_9_3a_a_3a_3a:Ag-N-O-Se,,"Invalid WP multiplicities - A3BC3D3_mC40_9_6a_a_6a_6a:Ag-N-O-Se, expected Ag6Se6NO6 to be Ag3Se3NO3" +mp-6476,Ag3SeNO3,-4.7213429275,-0.3250753592,0.2606505299,0.2606505299,GGA,R3c,A3BC3D_hR48_161_b_a_b_a:Ag-N-O-Se,16.0,A3BC3D_hR48_161_b_a_b_a:Ag-N-O-Se +mp-1202008,CuAg2(NO3)4,-6.1417235834,-0.7485360618,0.0,-0.0079622776,GGA,P-1,A2BC4D12_aP38_2_2i_be_4i_12i:Ag-Cu-N-O,38.0,A2BC4D12_aP38_2_2i_be_4i_12i:Ag-Cu-N-O +mp-1103918,Cu2Se2NO10,-5.1923639327,-0.3261227105,0.6368752913,0.6368752913,GGA,C2/m,A2BC10D2_mC30_12_f_a_3ij_i:Cu-N-O-Se,15.0,A2BC10D2_mC30_12_e_a_3ij_i:Cu-N-O-Se +mp-652274,Ge2RuC4(Cl3O2)2,-6.2554480357,-1.1782071519,0.1003559766,0.1003559766,GGA,P2_1,A4B6C2D4E_mP68_4_8a_12a_4a_8a_2a:C-Cl-Ge-O-Ru,68.0,"Invalid WP multiplicities - A4B6C2D4E_mP68_4_16a_23a_7a_16a_3a:C-Cl-Ge-O-Ru, expected Ge7Ru3C16Cl23O16 to be Ge2RuC4(Cl3O2)2" +mp-1201091,Ge2RuC4(Cl3O2)2,-6.2711723774,-1.1939314935,0.084631635,0.084631635,GGA,P2_1/c,A4B6C2D4E_mP34_14_2e_3e_e_2e_a:C-Cl-Ge-O-Ru,34.0,A4B6C2D4E_mP34_14_2e_3e_e_2e_a:C-Cl-Ge-O-Ru +mp-1517657,KPr(SnO3)4,-6.3696748144,-1.8535716668,0.2742664441,0.2742664441,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Pr-Sn,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Pr-Sn, expected KPr(Sn2O9)2 to be KPr(SnO3)4" +mp-1517594,KPr(SnO3)2,-6.729167682,-2.370109614,0.178439433,0.178439433,GGA,Fm-3m,AB6CD2_cF40_225_a_d_b_c:K-O-Pr-Sn,10.0,AB6CD2_cF40_225_a_d_b_c:K-O-Pr-Sn +mp-1518396,KPrHfSnO6,-7.940195413,-2.9863756275,0.1229379822,0.1229379822,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-Sn,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-Sn +mp-16737,Na2BeB2O5,-7.1760166375,-2.7283475825,0.0,-0.017042868,GGA,C2/c,A2BC2D5_mC40_15_f_e_f_e2f:B-Be-Na-O,20.0,"Invalid WP multiplicities - A2BC2D5_mC40_15_f_e_f_e3f:B-Be-Na-O, expected Na2BeB2O7 to be Na2BeB2O5" +mp-559557,Cs2Na2B10O17,-7.798296496,-2.7878616208,0.0,-0.004141841,GGA,C2/c,A10B2C2D17_mC124_15_5f_f_f_e8f:B-Cs-Na-O,62.0,"Invalid WP multiplicities - A10B2C2D17_mC124_15_18f_f_f_2e29f:B-Cs-Na-O, expected CsNa(B3O5)6 to be Cs2Na2B10O17" +mp-1020624,NaBe(BO2)3,-7.8237365295,-2.8437141897,0.0011957005,0.0011957005,GGA,Pna2_1,A3BCD6_oP44_33_3a_a_a_6a:B-Be-Na-O,44.0,A3BCD6_oP44_33_3a_a_a_6a:B-Be-Na-O +mp-866613,CsNa2Be6(BO3)5,-7.4929345441,-2.8869269692,0.0005435531,0.0005435531,GGA,C2,A5B6CD2E15_mC58_5_a2c_3c_b_c_a7c:B-Be-Cs-Na-O,29.0,A5B6CD2E15_mC58_5_a2c_3c_b_c_a7c:B-Be-Cs-Na-O +mp-8871,CsNa2BO3,-5.8118386236,-2.2318513574,0.0,-0.0078964495,GGA,Pmmn,ABC2D3_oP14_59_a_b_e_af:B-Cs-Na-O,14.0,"Invalid WP multiplicities - ABC2D3_oP14_59_a_b_e_a2f:B-Cs-Na-O, expected CsNa2BO5 to be CsNa2BO3" +mp-1020144,Na2Be4B4O11,-7.5819862583,-2.8803745939,0.0017968795,0.0017968795,GGA,P1,A4B4C2D11_aP168_1_32a_32a_16a_88a:B-Be-Na-O,168.0,A4B4C2D11_aP168_1_32a_32a_16a_88a:B-Be-Na-O +mp-679984,Cs4Ru2Cl10O,-4.3919706384,-1.7118253514,0.0,-0.0901938949,GGA,Pbca,A10B4CD2_oP68_61_5c_2c_a_c:Cl-Cs-O-Ru,68.0,"Invalid WP multiplicities - A10B4CD2_oP68_61_35c_10c_a_c:Cl-Cs-O-Ru, expected Cs20Ru2Cl70O to be Cs4Ru2Cl10O" +mp-541646,Cs3Ru2Cl9,-4.3140486868,-1.6089171056,0.0,-0.0681522489,GGA,P6_3/mmc,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Ru,28.0,A9B3C2_hP28_194_hk_bf_f:Cl-Cs-Ru +mp-1198675,CsRu2C8(ClO4)2,-6.5875568598,-0.0854561739,1.2123160745,1.2123160745,GGA,P4_2/n,A8B2CD8E2_tP84_86_4g_g_e_4g_g:C-Cl-Cs-O-Ru,84.0,A8B2CD8E2_tP84_86_4g_g_e_4g_g:C-Cl-Cs-O-Ru +mp-1522717,KSrSnBiO6,-6.048216297,-2.0152077317,0.0978725605,0.0978725605,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-K-O-Sn-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-K-O-Sn-Sr +mp-735483,Na3LiMo2(H6O7)2,-5.9664761386,-1.6685338428,0.0087282269,0.0087282269,GGA+U,R3c,A12BC2D3E14_hR192_161_4b_a_2a_b_2a4b:H-Li-Mo-Na-O,64.0,A12BC2D3E14_hR192_161_4b_a_2a_b_2a4b:H-Li-Mo-Na-O +mp-504845,NaLiMo(H2O3)2,-6.181686105,-1.7718295883,0.0125023088,0.0125023088,GGA+U,Pbca,A4BCDE6_oP104_61_4c_c_c_c_6c:H-Li-Mo-Na-O,104.0,A4BCDE6_oP104_61_4c_c_c_c_6c:H-Li-Mo-Na-O +mp-1520965,KSrMnSnO6,-6.619621844,-2.0544606625,0.1506880604,0.1506880604,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Sn-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-Mn-O-Sn-Sr +mp-1298569,KMnSn3O8,-6.8426650704,-2.083077417,0.0,-0.0010509801,GGA+U,P1,ABC8D3_aP13_1_a_a_8a_3a:K-Mn-O-Sn,26.0,ABC8D3_aP13_1_a_a_8a_3a:K-Mn-O-Sn +mp-1299552,KMnSn3O8,-6.8394737562,-2.0798861028,0.0031913142,0.0021403341,GGA+U,Pc,ABC8D3_mP26_7_a_a_8a_3a:K-Mn-O-Sn,26.0,ABC8D3_mP26_7_a_a_8a_3a:K-Mn-O-Sn +mp-1223668,KMnSn3O8,-6.8256305869,-2.0660429335,0.0170344835,0.0159835033,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:K-Mn-O-Sn,13.0,ABC8D3_mC26_8_a_a_8a_3a:K-Mn-O-Sn +mp-1195266,SrZnAsHO5,-6.1418871825,-2.171384397,0.0,-0.0125307847,GGA,P2_12_12_1,ABC5DE_oP36_19_a_a_5a_a_a:As-H-O-Sr-Zn,36.0,ABC5DE_oP36_19_a_a_5a_a_a:As-H-O-Sr-Zn +mp-723483,Sr2Zn(HO)6,-4.951655512,-1.3066409084,0.6012243712,0.6012243712,GGA,P2_1/c,A6B6C2D_mP30_14_3e_3e_e_a:H-O-Sr-Zn,30.0,A6B6C2D_mP30_14_3e_3e_e_a:H-O-Sr-Zn +mp-707866,SrZnH6O5,-5.3801269277,-1.6848163977,0.0,-0.0025885962,GGA,P-1,A6B5CD_aP26_2_6i_5i_i_i:H-O-Sr-Zn,26.0,A6B5CD_aP26_2_6i_5i_i_i:H-O-Sr-Zn +mp-2715459,Na3In2(PO4)3,-6.7822236386,-2.5286678689,0.0201202836,0.0025190631,GGA,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:In-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_5a_3a_30a_6a:In-Na-O-P, expected Na3In5(PO5)6 to be Na3In2(PO4)3" +mp-2715463,Na3In2(PO4)3,-6.7793383902,-2.5257826204,0.0230055321,0.0054043115,GGA,Cc,A2B3C12D3_mC240_9_6a_9a_36a_9a:In-Na-O-P,120.0,"Invalid WP multiplicities - A2B3C12D3_mC240_9_6a_13a_72a_18a:In-Na-O-P, expected Na13In6(PO4)18 to be Na3In2(PO4)3" +mp-17349,Na3In2(PO4)3,-6.8023439223,-2.5487881525,0.0,-0.0176012205,GGA,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:In-Na-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a4e_6f_e2f:In-Na-O-P, expected Na6In2P5O12 to be Na3In2(PO4)3" +mp-1194373,Na3In(PO4)2,-6.6319396268,-2.5519843187,0.0008054396,-0.0073990095,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:In-Na-O-P,28.0,AB3C8D2_mP28_11_e_3e_4e2f_2e:In-Na-O-P +mp-6017,Na3In(PO4)2,-6.6327450664,-2.5527897583,0.0,-0.0082044491,GGA,C2/m,AB3C8D2_mC28_12_a_ci_2ij_i:In-Na-O-P,14.0,"Invalid WP multiplicities - AB3C8D2_mC28_12_a_d2i_2ij_i:In-Na-O-P, expected Na5In(PO4)2 to be Na3In(PO4)2" +mp-6336,Na3In(PO4)2,-6.6325209764,-2.5525656683,0.00022409,-0.0079803591,GGA,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:In-Na-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_4e_8e_3e:In-Na-O-P, expected Na4InP3O8 to be Na3In(PO4)2" +mp-1173705,NaCdIn2(PO4)3,-6.8499123129,-2.4631252303,0.0,-0.0133259208,GGA,C2/c,AB2CD12E3_mC76_15_e_f_a_6f_ef:Cd-In-Na-O-P,38.0,"Invalid WP multiplicities - AB2CD12E3_mC76_15_e_f_a_23f_2e3f:Cd-In-Na-O-P, expected NaCdIn2(P4O23)2 to be NaCdIn2(PO4)3" +mp-1173874,NaCdIn4(PO4)6,-6.8720004917,-2.303875656,0.0815784103,0.0815784103,GGA,P-1,AB4CD24E6_aP72_2_i_4i_ad_24i_6i:Cd-In-Na-O-P,72.0,"Invalid WP multiplicities - AB4CD24E6_aP72_2_i_8i_ad_48i_12i:Cd-In-Na-O-P, expected NaCdIn8(PO4)12 to be NaCdIn4(PO4)6" +mp-675464,CdIn2O4,-5.5171073486,-1.7723913393,0.0777893421,0.0447271271,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Cd-In-O,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_2hi:Cd-In-O, expected CdIn2O6 to be CdIn2O4" +mp-19803,CdIn2O4,-5.5948966907,-1.8501806814,0.0,-0.033062215,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Cd-In-O,14.0,AB2C4_cF56_227_a_d_e:Cd-In-O +mp-8752,Na4CdP2,-2.7719655029,-0.3377375104,0.0,-0.0344828407,GGA,R-3m,AB4C2_hR21_166_a_2c_c:Cd-Na-P,7.0,"Invalid WP multiplicities - AB4C2_hR21_166_a_4c_c:Cd-Na-P, expected Na8CdP2 to be Na4CdP2" +mp-15250,NaCd(PO3)3,-7.024285553,-2.5238911977000003,0.0,-0.0109794378,GGA,P2_12_12_1,ABC9D3_oP224_19_4a_4a_36a_12a:Cd-Na-O-P,224.0,ABC9D3_oP224_19_4a_4a_36a_12a:Cd-Na-O-P +mp-1192772,NaCdPO4,-6.3171950804,-2.3964133082,0.0014327354,-0.0325493521,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cd-Na-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Cd-Na-O-P +mp-6684,NaCdPO4,-6.3186278157,-2.3978460436,0.0,-0.0339820875,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cd-Na-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_2c2d_c:Cd-Na-O-P, expected NaCdPO6 to be NaCdPO4" +mp-13718,NaCd4(PO4)3,-6.3296757323,-2.2989629128,0.0047441785,0.0047441785,GGA,Pnma,A4BC12D3_oP80_62_2d_c_2c5d_cd:Cd-Na-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_2d_c_2c8d_c2d:Cd-Na-O-P, expected NaCd4P5O18 to be NaCd4(PO4)3" +mp-6290,NaInP2O7,-7.0870168457,-2.5845045715,0.0,-0.0218399733,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:In-Na-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_12e_3e:In-Na-O-P, expected NaIn(PO4)3 to be NaInP2O7" +mp-555851,Na2Cd3(P2O7)2,-6.6175240791,-2.4296731291,0.0,-0.0024176171,GGA,P-1,A3B2C14D4_aP23_2_ai_i_7i_2i:Cd-Na-O-P,23.0,"Invalid WP multiplicities - A3B2C14D4_aP23_2_a2i_i_12i_3i:Cd-Na-O-P, expected Na2Cd5(PO4)6 to be Na2Cd3(P2O7)2" +mp-6702,Na7In4P9O32,-6.9570001139,-2.5862660121000003,0.0,-0.002029239,GGA,P-42_1c,A4B7C32D9_tP104_114_e_ade_8e_b2e:In-Na-O-P,104.0,"Invalid WP multiplicities - A4B7C32D9_tP104_114_e_ade_11e_b2e:In-Na-O-P, expected Na7In4P9O44 to be Na7In4P9O32" +mp-1227181,CaLaGa3S6O,-5.5756221621,-1.759681915,0.0023241189,0.0023241189,GGA,P2_1,AB3CDE6_mP24_4_a_3a_a_a_6a:Ca-Ga-La-O-S,24.0,AB3CDE6_mP24_4_a_3a_a_a_6a:Ca-Ga-La-O-S +mp-2713847,LaGa(SO4)3,-6.9496675797,-2.2594489172,0.0426524011,0.0426524011,GGA,P321,ABC12D3_hP102_150_3d_2cd_12g_ef2g:Ga-La-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_5d_3cd_20g_ef4g:Ga-La-O-S, expected La4Ga5(SO4)15 to be LaGa(SO4)3" +mp-1227266,CaLaGa3S7,-5.28195442,-1.5335340766,0.0151446043,0.0151446043,GGA,P2_1,AB3CD7_mP24_4_a_3a_a_7a:Ca-Ga-La-S,24.0,AB3CD7_mP24_4_a_3a_a_7a:Ca-Ga-La-S +mp-7018,LaGaS2O,-6.464686459,-2.2279481445,0.0337187895,0.0337187895,GGA,Pbcm,ABCD2_oP20_57_d_d_c_2d:Ga-La-O-S,20.0,ABCD2_oP20_57_d_d_c_2d:Ga-La-O-S +mp-1203500,Ca(GaS2)2,-4.9166398157,-1.4012696168,0.0038357741,-0.0268040136,GGA,P2_1/c,AB2C4_mP56_14_2e_4e_8e:Ca-Ga-S,56.0,AB2C4_mP56_14_2e_4e_8e:Ca-Ga-S +mp-1104167,Ca(GaS2)2,-4.9033455586,-1.3879753596,0.0171300312,-0.0135097564,GGA,Cccm,AB2C4_oC28_66_a_l_kl:Ca-Ga-S,14.0,AB2C4_oC28_66_a_l_kl:Ca-Ga-S +mp-14423,Ca(GaS2)2,-4.9204755898,-1.4051053909,0.0,-0.0306397877,GGA,Fddd,AB2C4_oF224_70_abe_2h_4h:Ca-Ga-S,56.0,AB2C4_oF224_70_abe_2h_4h:Ca-Ga-S +mp-561076,La3GaS5O,-6.7418510515,-2.3953455132,0.0,-0.0044982487,GGA,Pnma,AB3CD5_oP40_62_c_3c_c_5c:Ga-La-O-S,40.0,"Invalid WP multiplicities - AB3CD5_oP40_62_c_7c_c_19c:Ga-La-O-S, expected La7GaS19O to be La3GaS5O" +mp-705033,Cr2AsC10ClO10,-7.7795994123,-0.7976289105000001,0.538051,0.538051,GGA+U,P2_1/c,AB10CD2E10_mP96_14_e_10e_e_2e_10e:As-C-Cl-Cr-O,96.0,"Invalid WP multiplicities - AB10CD2E10_mP96_14_e_35e_e_3e_39e:As-C-Cl-Cr-O, expected Cr3AsC35ClO39 to be Cr2AsC10ClO10" +mp-1275109,Ca3Mn2(WO6)2,-8.3598088995,-2.5904744143,0.0424087956,0.0424087956,GGA+U,P1,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Mn-O-W,19.0,A3B2C12D2_aP19_1_3a_2a_12a_2a:Ca-Mn-O-W +mp-1517301,CaEuMnWO6,-9.056383148,-2.650095201,0.0739030774,0.0739030774,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Mn-O-W +mp-1228190,Ca3Mn2WO9,-8.1513376307,-2.6967270403,0.0293904168,0.0293904168,GGA+U,P2_1/c,A3B2C9D_mP60_14_3e_abe_9e_e:Ca-Mn-O-W,60.0,"Invalid WP multiplicities - A3B2C9D_mP60_14_11e_2ab2e_33e_e:Ca-Mn-O-W, expected Ca22Mn7(WO33)2 to be Ca3Mn2WO9" +mp-1391233,Ca2MnWO6,-8.337270207,-2.756122452,0.0100139338,0.0100139338,GGA+U,P1,A2BC6D_aP10_1_2a_a_6a_a:Ca-Mn-O-W,10.0,A2BC6D_aP10_1_2a_a_6a_a:Ca-Mn-O-W +mp-1045241,Ca2MnWO6,-8.3388704265,-2.7577226715,0.0084137143,0.0084137143,GGA+U,R3,A2BC6D_hR30_146_2a_a_2b_a:Ca-Mn-O-W,20.0,"Invalid WP multiplicities - A2BC6D_hR30_146_2a_a_4b_a:Ca-Mn-O-W, expected Ca2MnWO12 to be Ca2MnWO6" +mp-1290713,CaMnWO6,-8.292791576700001,-2.3143607245,0.1058054697,0.1058054697,GGA+U,Pc,ABC6D_mP18_7_a_a_6a_a:Ca-Mn-O-W,18.0,ABC6D_mP18_7_a_a_6a_a:Ca-Mn-O-W +mp-694869,Ca2YFe3(SnO6)2,-7.6385443916,-2.4751872542,0.004506982,0.004506982,GGA+U,P1,A2B3C12D2E_aP80_1_8a_12a_48a_8a_4a:Ca-Fe-O-Sn-Y,80.0,A2B3C12D2E_aP80_1_8a_12a_48a_8a_4a:Ca-Fe-O-Sn-Y +mp-1378984,Ca2YSnO5,-7.3308177406,-2.9729637089,0.1816400842,0.1816400842,GGA,P1,A2B5CD_aP18_1_4a_10a_2a_2a:Ca-O-Sn-Y,18.0,A2B5CD_aP18_1_4a_10a_2a_2a:Ca-O-Sn-Y +mp-1201703,Y(FeSn)6,-6.367327531,-0.1100944923,0.0323745609,0.0323745609,GGA,Immm,A6B6C_oI78_71_hkno_3e3fgn_af:Fe-Sn-Y,39.0,A6B6C_oI78_71_hkno_3e3fgn_af:Fe-Sn-Y +mp-1233059,La4MgNi3WO12,-7.70583905,-2.4199765131,0.4518877746,0.4518877746,GGA+U,P2/m,A4BC3D12E_mP21_10_il_a_cde_jk2m2n_f:La-Mg-Ni-O-W,21.0,"Invalid WP multiplicities - A4BC3D12E_mP21_10_2j2l_d_abc_2i2k4m4n_f:La-Mg-Ni-O-W, expected La8MgNi3WO24 to be La4MgNi3WO12" +mp-1517712,SrCaTbVO6,-7.794771857,-3.0854220799,0.2021644677,0.2021644677,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Tb-V,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-Tb-V +mp-16102,ZnAg2P2O7,-6.3480028071,-1.9831460064,0.0184528585,0.0184528585,GGA,P4_2/mnm,A2B7C2D_tP48_136_fg_ejk_j_d:Ag-O-P-Zn,48.0,"Invalid WP multiplicities - A2B7C2D_tP48_136_fg_e2jk_j_d:Ag-O-P-Zn, expected ZnAg2P2O9 to be ZnAg2P2O7" +mp-1041175,ZnAg3P3O13,-6.1409172887,-1.6257036694,0.0897097634,0.0897097634,GGA,P2_1/m,A3B13C3D_mP40_11_a2e_7e3f_3e_e:Ag-O-P-Zn,40.0,"Invalid WP multiplicities - A3B13C3D_mP40_11_2a3e_12e11f_3e_e:Ag-O-P-Zn, expected ZnAg5P3O34 to be ZnAg3P3O13" +mp-1208127,Zn2AgP3O19,-5.7210907508,-1.0979293005,0.3722205181,0.3722205181,GGA,P-1,AB19C3D2_aP50_2_i_19i_3i_bei:Ag-O-P-Zn,50.0,AB19C3D2_aP50_2_i_19i_3i_bei:Ag-O-P-Zn +mp-1043771,TiZnAg(PO4)3,-7.21338556,-2.3473875775,0.0948570702,0.0948570702,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ag-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ag-O-P-Ti-Zn, expected TiZnAg(PO18)3 to be TiZnAg(PO4)3" +mp-14260,ZnAg(PO3)3,-6.9384559691,-2.3061412881,0.0,-0.0053301432,GGA,Pcca,AB9C3D_oP112_54_f_cd8f_3f_ae:Ag-O-P-Zn,112.0,"Invalid WP multiplicities - AB9C3D_oP112_54_f_cd12f_3f_ae:Ag-O-P-Zn, expected ZnAgP3O13 to be ZnAg(PO3)3" +mp-1365006,ZnAg2P2O9,-6.0789372671,-1.6309616221,0.1063280199,0.1063280199,GGA,Pnma,A2B9C2D_oP56_62_ac_5c2d_2c_c:Ag-O-P-Zn,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_62_ac_7c2d_2c_c:Ag-O-P-Zn, expected ZnAg2P2O11 to be ZnAg2P2O9" +mp-1216213,ZnAgPO4,-6.1835666061,-1.9989441825,0.0314238196,0.0095546615,GGA,P1,AB4CD_aP56_1_8a_32a_8a_8a:Ag-O-P-Zn,56.0,AB4CD_aP56_1_8a_32a_8a_8a:Ag-O-P-Zn +mp-1193999,ZnAgPO4,-6.2149904257,-2.0303680021,0.0,-0.0218691581,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Ag-O-P-Zn,28.0,AB4CD_mP28_14_e_4e_e_e:Ag-O-P-Zn +mp-1207494,ZnAgPO4,-6.1895274713,-2.0049050477,0.0254629544,0.0035937963,GGA,P2_1/c,AB4CD_mP84_14_3e_12e_3e_3e:Ag-O-P-Zn,84.0,AB4CD_mP84_14_3e_12e_3e_3e:Ag-O-P-Zn +mp-1225864,CsVTeO6,-6.7296154261000005,-1.9737546925,0.0,-0.0215950709,GGA+U,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-Te-V,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-Te-V, expected CsVTeO12 to be CsVTeO6" +mp-18398,CsV3(TeO6)2,-7.2741922908,-2.0634146851,0.0198667596,0.0198667596,GGA+U,P6_3,AB12C2D3_hP36_173_b_4c_ab_c:Cs-O-Te-V,36.0,"Invalid WP multiplicities - AB12C2D3_hP36_173_b_16c_ab_c:Cs-O-Te-V, expected CsV3(TeO24)2 to be CsV3(TeO6)2" +mp-699570,VTe4Cl4O,-4.299581585,-0.8997850855,0.1712707211,0.1712707211,GGA+U,I4_1/a,A4BC4D_tI160_88_4f_f_4f_f:Cl-O-Te-V,80.0,"Invalid WP multiplicities - A4BC4D_tI160_88_27f_f_27f_f:Cl-O-Te-V, expected VTe27Cl27O to be VTe4Cl4O" +mp-624117,Cs3V4Te2ClO14,-7.0573345008,-2.2068919258,0.0,-0.0011591481,GGA+U,Pnnm,AB3C14D2E4_oP48_58_a_cg_3g2h_g_2g:Cl-Cs-O-Te-V,48.0,"Invalid WP multiplicities - AB3C14D2E4_oP48_58_a_2cg_11g14h_g_4g:Cl-Cs-O-Te-V, expected Cs4V8Te2ClO78 to be Cs3V4Te2ClO14" +mp-1520627,SrNdV4O12,-8.3127097083,-2.6375136138,0.1732637593,0.1732637593,GGA+U,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Nd-O-Sr-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Nd-O-Sr-V, expected SrNdV4O18 to be SrNdV4O12" +mp-1217977,SrNdVO4,-8.2104937843,-3.163593527,0.0170511096,0.0170511096,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Nd-O-Sr-V,7.0,AB4CD_tI14_107_a_2ab_a_a:Nd-O-Sr-V +mp-1522778,Sr2NdVO6,-7.723965354,-3.0328480863,0.1829999484,0.1829999484,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nd-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Nd-O-Sr-V +mp-698668,Nb3ZnFe3(O6F)2,-8.0433354767,-2.321576199,0.188632771,0.188632771,GGA+U,P1,A2B3C3D12E_aP21_1_2a_3a_3a_12a_a:F-Fe-Nb-O-Zn,21.0,A2B3C3D12E_aP21_1_2a_3a_3a_12a_a:F-Fe-Nb-O-Zn +mp-1046751,Nb2Zn2FeO8,-7.8697726431,-2.4262627815,0.0230755696,0.0230755696,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Fe-Nb-O-Zn,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Fe-Nb-O-Zn, expected Nb2Zn2FeO10 to be Nb2Zn2FeO8" +mp-769613,Li4Ti3Ni3(WO8)2,-7.9226623293,-2.4324531365,0.0470336957,0.0470336957,GGA+U,P1,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Ni-O-Ti-W,28.0,A4B3C16D3E2_aP28_1_4a_3a_16a_3a_2a:Li-Ni-O-Ti-W +mp-1095775,Ti2NiW,-5.0572424575,3.5750702783,3.7830667331,3.7830667331,GGA,Immm,AB2C_oI8_71_a_e_b:Ni-Ti-W,4.0,AB2C_oI8_71_a_e_b:Ni-Ti-W +mp-1192492,Na5Tb4Si4O16F,-7.5846729957,-3.3210109512,0.0,-0.0260241893,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Tb,30.0,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Tb +mp-778317,Ti3NbFe2(PO4)6,-8.3918763231,-2.7827605558,0.0610980163,0.0610980163,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Fe-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Fe-Nb-O-P-Ti, expected Ti3NbFe2(P3O22)3 to be Ti3NbFe2(PO4)6" +mp-1209690,Rb2Be3Zn2F12,-5.213052825,-3.1795506371,0.0,-0.0011316731,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Rb-Zn,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Rb-Zn +mp-4975,RbZnF3,-4.391544364,-2.796601447,0.0,-0.026841168,GGA,P6_3/mmc,A3BC_hP30_194_hk_bf_af:F-Rb-Zn,30.0,A3BC_hP30_194_hk_bf_af:F-Rb-Zn +mp-1209805,Rb2Be2Zn(O3F4)2,-4.4736098392,-1.5435255501,0.6560637737,0.6560637737,GGA,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Rb-Zn,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Rb-Zn +mp-17229,RbBe3ZnF9,-5.5040053482,-3.3138748493,0.0,-0.0143969504,GGA,P-6c2,A3B9CD_hP28_188_k_kl_a_c:Be-F-Rb-Zn,28.0,"Invalid WP multiplicities - A3B9CD_hP28_188_k_k2l_a_c:Be-F-Rb-Zn, expected RbBe3ZnF15 to be RbBe3ZnF9" +mp-1025286,Rb2ZnF4,-4.3936183114,-2.8412286507,0.0,-0.0223594814,GGA,I4/mmm,A4B2C_tI14_139_ce_e_a:F-Rb-Zn,7.0,A4B2C_tI14_139_ce_e_a:F-Rb-Zn +mp-2226807,MgV3Ag2TeS6,-5.8104118123,-1.0043260153,0.089474529,0.089474529,GGA,Cm,A2BC6DE3_mC26_8_b_a_2a2b_a_ab:Ag-Mg-S-Te-V,13.0,"Invalid WP multiplicities - A2BC6DE3_mC26_8_b_a_2a4b_a_ab:Ag-Mg-S-Te-V, expected MgV3Ag2TeS10 to be MgV3Ag2TeS6" +mp-1102112,V3Ag2TeS6,-6.0746165233,-1.0013802474,0.0,-0.0495364325,GGA,P-62m,A2B6CD3_hP12_189_c_eh_a_g:Ag-S-Te-V,12.0,A2B6CD3_hP12_189_c_eh_a_g:Ag-S-Te-V +mp-1521021,KNdHfZrO6,-8.860920561,-3.4545637303,0.1575161811,0.1575161811,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Nd-O-Zr +mp-1229138,Ba8Y3Lu(CuO2)16,-6.4205469857,-2.0346551713,0.0218169633,0.0218169633,GGA,Pmmm,A8B16CD32E3_oP60_47_2i2j_4k4l_a_2i2j6k6l_bj:Ba-Cu-Lu-O-Y,60.0,"Invalid WP multiplicities - A8B16CD32E3_oP60_47_4i3j_6k8l_a_3i4j11k10l_b2j:Ba-Cu-Lu-O-Y, expected Ba14Y5Lu(CuO2)28 to be Ba8Y3Lu(CuO2)16" +mp-979433,YLuCu2,-5.0651277425,-0.2686689992,0.0,-0.0290284481,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Lu-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Lu-Y +mp-1523185,KSrCeBiO6,-6.8367612432,-2.611400948,0.0021569664,0.0021569664,GGA,Pnnn,ABCD6E_oP40_48_e_f_ab_3m_cd:Bi-Ce-K-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_f_2a2b_6m_cd:Bi-Ce-K-O-Sr, expected K2SrCeBiO12 to be KSrCeBiO6" +mp-1523116,KSrCeBiO6,-6.809443783,-2.5840834877,0.0294744267,0.0294744267,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ce-K-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Ce-K-O-Sr +mp-1228958,Ba8PrY3(Cu3O7)4,-6.5410057404,-2.1712003063,0.0336220525,0.0336220525,GGA,Pmmm,A8B12C28DE3_oP52_47_4i_6l_4j6k4l_a_bi:Ba-Cu-O-Pr-Y,52.0,"Invalid WP multiplicities - A8B12C28DE3_oP52_47_8i_11l_11j8k8l_a_b2i:Ba-Cu-O-Pr-Y, expected Ba16PrY5(Cu11O27)2 to be Ba8PrY3(Cu3O7)4" +mp-1229203,Ba10PrY4(CuO2)20,-6.4322728333,-2.0364298806,0.012113265,0.012113265,GGA,Cmmm,A10B20C40DE4_oC150_65_5g_10h_5g15h_a_2g:Ba-Cu-O-Pr-Y,75.0,"Invalid WP multiplicities - A10B20C40DE4_oC150_65_9g_18h_9g27h_a_3g:Ba-Cu-O-Pr-Y, expected Ba18PrY6(CuO2)36 to be Ba10PrY4(CuO2)20" +mp-1229217,Ba10PrY4(CuO2)20,-6.4278387585,-2.0319958058,0.0165473398,0.0165473398,GGA,Cmmm,A10B20C40DE4_oC150_65_g2p_2h4q_g3h2p6q_a_2i:Ba-Cu-O-Pr-Y,75.0,"Invalid WP multiplicities - A10B20C40DE4_oC150_65_2g7p_4h12q_2g6h6p20q_a_3i:Ba-Cu-O-Pr-Y, expected Ba32PrY6(Cu7O15)8 to be Ba10PrY4(CuO2)20" +mp-1229245,Ba10Pr2Y3(Cu3O7)5,-6.5160397069,-2.1656831039,0.0334023198,0.0334023198,GGA,Pmmm,A10B15C35D2E3_oP65_47_5j_e7k_a7i5k5l_j_dj:Ba-Cu-O-Pr-Y,65.0,"Invalid WP multiplicities - A10B15C35D2E3_oP65_47_10j_e13k_a13i10k10l_j_d2j:Ba-Cu-O-Pr-Y, expected Ba20Pr2Y5Cu27O67 to be Ba10Pr2Y3(Cu3O7)5" +mp-1229131,Ba10Pr4Y(CuO2)20,-6.3615814492,-2.0331611108,0.0,-0.0017316887,GGA,Cmmm,A10B20C40D4E_oC150_65_5g_10h_5g15h_2g_a:Ba-Cu-O-Pr-Y,,"Invalid WP multiplicities - A10B20C40D4E_oC150_65_9g_18h_9g27h_3g_a:Ba-Cu-O-Pr-Y, expected Ba18Pr6Y(CuO2)36 to be Ba10Pr4Y(CuO2)20" +mp-1228989,Ba10PrY4(Cu3O7)5,-6.5537636412,-2.1774752635,0.0288261372,0.0288261372,GGA,Pmmm,A10B15C35DE4_oP65_47_j2z_ek2m2y_aikl2m4y2z_d_2p:Ba-Cu-O-Pr-Y,65.0,"Invalid WP multiplicities - A10B15C35DE4_oP65_47_2j6z_e2k3m6y_a2i2k2l3m12y6z_d_2p:Ba-Cu-O-Pr-Y, expected Ba28PrY4(Cu5O13)7 to be Ba10PrY4(Cu3O7)5" +mp-1228236,Ba4PrY(Cu3O7)2,-6.5003985742,-2.1630078586,0.0318706676,0.0318706676,GGA,Pmmm,A4B6C14DE_oP26_47_kl_qw_acijwx_f_h:Ba-Cu-O-Pr-Y,26.0,"Invalid WP multiplicities - A4B6C14DE_oP26_47_2k2l_qw_ac2i2jwx_f_h:Ba-Cu-O-Pr-Y, expected Ba8PrY(CuO3)6 to be Ba4PrY(Cu3O7)2" +mp-1228301,Ba4PrY(Cu3O7)2,-6.4997734558,-2.1623827402,0.0324957861,0.0324957861,GGA,Pmmm,A4B6C14DE_oP26_47_2i_3l_2j3k2l_a_b:Ba-Cu-O-Pr-Y,26.0,"Invalid WP multiplicities - A4B6C14DE_oP26_47_4i_5l_4j5k4l_a_b:Ba-Cu-O-Pr-Y, expected Ba8PrY(Cu5O13)2 to be Ba4PrY(Cu3O7)2" +mp-1228182,Ba4PrY(Cu3O7)2,-6.5085211735,-2.1711304579,0.0237480684,0.0237480684,GGA,Cmmm,A4B6C14DE_oC52_65_2g_fq_e2hpq_a_b:Ba-Cu-O-Pr-Y,26.0,"Invalid WP multiplicities - A4B6C14DE_oC52_65_4g_fq_e4hpq_a_b:Ba-Cu-O-Pr-Y, expected Ba8PrY(CuO3)6 to be Ba4PrY(Cu3O7)2" +mp-1228357,Ba4PrY(Cu3O7)2,-6.4989675181,-2.1615768025,0.0333017238,0.0333017238,GGA,P-4m2,A4B6C14DE_tP26_115_2f_3e_2e5g_b_c:Ba-Cu-O-Pr-Y,26.0,"Invalid WP multiplicities - A4B6C14DE_tP26_115_4f_5e_4e9g_b_c:Ba-Cu-O-Pr-Y, expected Ba8PrY(Cu5O13)2 to be Ba4PrY(Cu3O7)2" +mp-1228147,Ba4PrY(CuO2)8,-6.3833375753,-2.0212059297,0.0196461984,0.0196461984,GGA,P2/m,A4B8C16DE_mP30_10_2m_4n_2m6n_a_d:Ba-Cu-O-Pr-Y,30.0,"Invalid WP multiplicities - A4B8C16DE_mP30_10_3m_6n_3m9n_c_d:Ba-Cu-O-Pr-Y, expected Ba6PrY(CuO2)12 to be Ba4PrY(CuO2)8" +mp-1228207,Ba6Pr2Y(CuO2)12,-6.3610614889,-2.0176583473,0.0189209934,0.0189209934,GGA,P-1,A6B12C24D2E_aP45_2_3i_6i_12i_i_a:Ba-Cu-O-Pr-Y,45.0,"Invalid WP multiplicities - A6B12C24D2E_aP45_2_5i_12i_23i_i_a:Ba-Cu-O-Pr-Y, expected Ba10Pr2Y(Cu12O23)2 to be Ba6Pr2Y(CuO2)12" +mp-1228902,Ba6Pr2Y(CuO2)12,-6.3632742453,-2.0198711037,0.016708237,0.016708237,GGA,C2/m,A6B12C24D2E_mC90_12_gj_2h2j_g3h4j_i_a:Ba-Cu-O-Pr-Y,45.0,"Invalid WP multiplicities - A6B12C24D2E_mC90_12_2gj_4h6j_2g6h10j_i_a:Ba-Cu-O-Pr-Y, expected Ba8Pr2Y(Cu4O7)8 to be Ba6Pr2Y(CuO2)12" +mp-1228680,Ba6Pr2Y(CuO2)12,-6.3678977918,-2.0244946501,0.0120846906,0.0120846906,GGA,Cmmm,A6B12C24D2E_oC90_65_3g_6h_3g9h_g_a:Ba-Cu-O-Pr-Y,45.0,"Invalid WP multiplicities - A6B12C24D2E_oC90_65_5g_10h_5g15h_g_a:Ba-Cu-O-Pr-Y, expected Ba10Pr2Y(CuO2)20 to be Ba6Pr2Y(CuO2)12" +mp-561253,Ba3Lu(BO2)9,-8.2844324529,-3.1414389665,0.0036953421,0.0036953421,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Lu-O,62.0,"Invalid WP multiplicities - A9B3CD18_hP62_176_4h5i_2a2f_b_11h13i:B-Ba-Lu-O, expected Ba6Lu(B14O37)3 to be Ba3Lu(BO2)9" +mp-14386,Ba3Lu(BO3)3,-7.9990286336,-3.3217630678,0.0,-0.0259626269,GGA,P6_3cm,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Lu-O,96.0,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Lu-O +mp-1228639,Ba2LuB2ClO6,-7.7764518858,-3.3392558134,0.0,-0.0099543042,GGA,P2_1/m,A2B2CDE6_mP24_11_2e_2e_e_e_2e2f:B-Ba-Cl-Lu-O,24.0,A2B2CDE6_mP24_11_2e_2e_e_e_2e2f:B-Ba-Cl-Lu-O +mp-558443,Na4U(MoO4)4,-7.866836825,-2.3023915848,0.0534551453,0.0534551453,GGA+U,I4_1/a,A4B4C16D_tI100_88_f_f_4f_a:Mo-Na-O-U,50.0,"Invalid WP multiplicities - A4B4C16D_tI100_88_f_f_22f_a:Mo-Na-O-U, expected Na4U(MoO22)4 to be Na4U(MoO4)4" +mp-559430,Na6U2Mo4O21,-7.882106187,-2.4948020913,0.0039820938,0.0039820938,GGA+U,P-1,A4B6C21D2_aP33_2_2i_3i_a10i_i:Mo-Na-O-U,33.0,"Invalid WP multiplicities - A4B6C21D2_aP33_2_4i_6i_a19i_i:Mo-Na-O-U, expected Na12U2Mo8O39 to be Na6U2Mo4O21" +mp-561342,Na6U(Mo2O9)2,-7.5585128591,-2.3292177208,0.0128643973,0.0128643973,GGA+U,P-1,A4B6C18D_aP58_2_4i_6i_18i_i:Mo-Na-O-U,58.0,"Invalid WP multiplicities - A4B6C18D_aP58_2_7i_10i_36i_i:Mo-Na-O-U, expected Na10UMo7O36 to be Na6U(Mo2O9)2" +mp-555784,Na2U(MoO5)2,-8.1777210297,-2.504744501,0.0052936477,0.0052936477,GGA+U,P2_12_12_1,A2B2C10D_oP60_19_2a_2a_10a_a:Mo-Na-O-U,60.0,"Invalid WP multiplicities - A2B2C10D_oP60_19_6a_6a_37a_a:Mo-Na-O-U, expected Na6UMo6O37 to be Na2U(MoO5)2" +mp-1221303,Na2Th(MoO4)3,-8.1237099631,-2.4594808685,0.0146023369,0.0146023369,GGA+U,C2/c,A3B2C12D_mC72_15_ef_f_6f_e:Mo-Na-O-Th,36.0,"Invalid WP multiplicities - A3B2C12D_mC72_15_2e3f_f_22f_e:Mo-Na-O-Th, expected Na2Th(Mo2O11)4 to be Na2Th(MoO4)3" +mp-1221309,Na2U(MoO4)3,-8.2063445058,-2.3266958691,0.1020698189,0.1020698189,GGA+U,C2/c,A3B2C12D_mC72_15_ef_f_6f_e:Mo-Na-O-U,36.0,"Invalid WP multiplicities - A3B2C12D_mC72_15_2e3f_f_22f_e:Mo-Na-O-U, expected Na2U(Mo2O11)4 to be Na2U(MoO4)3" +mp-560175,Na4Th(MoO4)4,-7.806586922,-2.3972437522,0.0,-0.0171641004,GGA+U,I4_1/a,A4B4C16D_tI100_88_f_f_4f_a:Mo-Na-O-Th,50.0,"Invalid WP multiplicities - A4B4C16D_tI100_88_f_f_21f_a:Mo-Na-O-Th, expected Na4Th(MoO21)4 to be Na4Th(MoO4)4" +mp-1221149,Na8ThU(MoO4)8,-7.8341213358,-2.3472271308,0.0293181104,0.0293181104,GGA+U,I-4,A8B8C32DE_tI100_82_2g_2g_8g_a_c:Mo-Na-O-Th-U,50.0,"Invalid WP multiplicities - A8B8C32DE_tI100_82_3g_3g_12g_a_c:Mo-Na-O-Th-U, expected Na12ThU(MoO4)12 to be Na8ThU(MoO4)8" +mp-1196630,FeCu8Sb3S13N6,-4.6919974132,0.3868250419,0.8076915273,0.8076915273,GGA,Fm-3c,A8BC6D13E3_cF248_226_g_a_f_bi_c:Cu-Fe-N-S-Sb,62.0,A8BC6D13E3_cF248_226_g_a_f_bi_c:Cu-Fe-N-S-Sb +mp-1246554,Fe3SbN,-7.614361763,-0.039249804,0.1339498923,0.1339498923,GGA,Imma,A3BC_oI20_74_eg_a_e:Fe-N-Sb,10.0,A3BC_oI20_74_eg_a_e:Fe-N-Sb +mp-1224745,Fe2Cu10Sb4S13,-4.8453811259,-0.4239341483,0.0686536526,0.0686536526,GGA,I-42m,A10B2C13D4_tI58_121_dfg_e_aij_i:Cu-Fe-S-Sb,29.0,"Invalid WP multiplicities - A10B2C13D4_tI58_121_2df2g_e_a4i4j_i:Cu-Fe-S-Sb, expected Fe2Cu16Sb4S49 to be Fe2Cu10Sb4S13" +mp-558517,K2Cr2HgCl2O7,-6.0254931796,-1.7287455012,0.0049884552,0.0049884552,GGA+U,P2_1/c,A2B2CD2E7_mP56_14_2e_2e_ab_2e_7e:Cl-Cr-Hg-K-O,56.0,"Invalid WP multiplicities - A2B2CD2E7_mP56_14_8e_5e_ad_7e_22e:Cl-Cr-Hg-K-O, expected K7Cr5Hg(Cl4O11)2 to be K2Cr2HgCl2O7" +mp-1180943,K2HgCl4O,-2.8603762816,-1.0022120803,0.5758665178,0.5758665178,GGA,Pbam,A4BC2D_oP32_55_ghi_e_gh_f:Cl-Hg-K-O,32.0,A4BC2D_oP32_55_ghi_e_gh_f:Cl-Hg-K-O +mp-1522952,NaSrPrWO6,-7.768312346,-2.7251936461,0.1597050287,0.1597050287,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Na-O-Pr-Sr-W,10.0,AB6CDE_cF40_216_a_f_c_d_b:Na-O-Pr-Sr-W +mp-1522414,NaSrPrWO6,-7.826295157,-2.7831764571,0.1017222177,0.1017222177,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Pr-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Pr-Sr-W +mp-1519998,KPrMnNbO6,-8.233827328,-2.7503515978,0.1518372545,0.1518372545,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:K-Mn-Nb-O-Pr,10.0,ABCD6E_cF40_216_c_a_b_f_d:K-Mn-Nb-O-Pr +mp-1520388,BaCaYSbO6,-7.41372092,-2.9937029759,0.087604492,0.087604492,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Sb-Y +mp-1189432,Zn(H3C)2,-4.50966558,-0.0570621506,0.1549202657,0.1549202657,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:C-H-Zn,18.0,A2B6C_mP18_14_e_3e_a:C-H-Zn +mp-1199436,Zn(H3C)2,-4.5077083525,-0.0551049231,0.1568774932,0.1568774932,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:C-H-Zn,36.0,A2B6C_mP36_14_2e_6e_e:C-H-Zn +mp-570146,ZnSi4As2(H3C)12,-5.0217209587,-0.2006050302,0.0440658469,0.0440658469,GGA,P-1,A2B12C36D4E_aP110_2_2i_12i_36i_4i_i:As-C-H-Si-Zn,110.0,"Invalid WP multiplicities - A2B12C36D4E_aP110_2_2i_24i_72i_7i_i:As-C-H-Si-Zn, expected ZnSi7As2(H3C)24 to be ZnSi4As2(H3C)12" +mp-1046155,SrZnCu(PO4)2,-6.9425364742,-2.5234165945,0.0381261749,0.0381261749,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Cu-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Cu-O-P-Sr-Zn, expected SrZnCu(PO7)2 to be SrZnCu(PO4)2" +mp-1345647,SrZnCu(PO4)2,-3.3339818388,1.0851380409,3.6466808103,3.6466808103,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Cu-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Cu-O-P-Sr-Zn, expected SrZnCu(PO7)2 to be SrZnCu(PO4)2" +mp-2241339,Ba2MgCu(PO4)2,-6.9300114571,-2.6487577926,0.3543867152,0.3543867152,GGA,P-1,A2BCD8E2_aP14_2_i_a_d_4i_i:Ba-Cu-Mg-O-P,14.0,"Invalid WP multiplicities - A2BCD8E2_aP14_2_i_a_d_7i_i:Ba-Cu-Mg-O-P, expected Ba2MgCu(PO7)2 to be Ba2MgCu(PO4)2" +mp-2228499,Ba2MgCu(PO4)2,-6.9694476221,-2.6881939576,0.3149505502,0.3149505502,GGA,Cm,A2BCD8E2_mC28_8_2a_a_a_4a2b_2a:Ba-Cu-Mg-O-P,14.0,"Invalid WP multiplicities - A2BCD8E2_mC28_8_2a_a_a_4a3b_2a:Ba-Cu-Mg-O-P, expected Ba2MgCu(PO5)2 to be Ba2MgCu(PO4)2" +mp-1214852,Ba2TbV3O11,-8.3090233691,-3.0068110154,0.0179989263,0.0179989263,GGA+U,P2_1/c,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Tb-V,68.0,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Tb-V +mp-1517812,BaSrTbVO6,-7.852363938,-3.1516766549,0.1148813554,0.1148813554,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-V,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-Tb-V +mp-1518433,Sr2HfVO6,-8.518496036,-3.3084746086,0.0580428729,0.0580428729,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Hf-O-Sr-V +mp-772045,SnSb3(PO4)4,-7.16060796,-2.2774077524,0.0922141647,0.0922141647,GGA,Pm,A16B4C3D_mP24_6_4a4b4c_2a2b_a2b_a:O-P-Sb-Sn,24.0,A16B4C3D_mP24_6_4a4b4c_2a2b_a2b_a:O-P-Sb-Sn +mp-776484,Li6Sn3P8O29,-7.1556354208,-2.5851431285,0.0249796043,0.0249796043,GGA,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-Sn,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-Sn +mp-757490,LiSnPO4,-6.8410754479,-2.3955680088,0.0758851877,0.0758851877,GGA,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_aP28_2_3i_15i_3i_3i:Li-O-P-Sn, expected LiSnPO5 to be LiSnPO4" +mp-757885,LiSnPO4,-6.8395567321,-2.3940492931,0.0774039035,0.0774039035,GGA,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_aP28_2_3i_15i_3i_3i:Li-O-P-Sn, expected LiSnPO5 to be LiSnPO4" +mp-757106,LiSnPO4,-6.8421725489,-2.3966651099,0.0747880867,0.0747880867,GGA,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB4CD_mP56_14_3e_31e_3e_3e:Li-O-P-Sn, expected Li3Sn3P3O31 to be LiSnPO4" +mp-765277,LiSnPO4,-6.8419602255,-2.3964527864000003,0.0750004101,0.0750004101,GGA,P2_1/c,AB4CD_mP84_14_3e_12e_3e_3e:Li-O-P-Sn,84.0,"Invalid WP multiplicities - AB4CD_mP84_14_9e_45e_9e_9e:Li-O-P-Sn, expected LiSnPO5 to be LiSnPO4" +mp-757901,LiSnPO4,-6.8443905788,-2.3988831398,0.0725700568,0.0725700568,GGA,P2_1/c,AB4CD_mP84_14_3e_12e_3e_3e:Li-O-P-Sn,84.0,"Invalid WP multiplicities - AB4CD_mP84_14_9e_47e_9e_9e:Li-O-P-Sn, expected Li9Sn9P9O47 to be LiSnPO4" +mp-26299,LiSnPO4,-6.9005627936,-2.4550553545,0.016397842,0.016397842,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_mP28_14_e_13e_e_e:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-753939,LiSnPO4,-6.854648335,-2.4091408960000003,0.0623123006,0.0623123006,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_oP28_19_a_13a_a_a:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-757042,LiSnPO4,-6.8554550725,-2.4099476335,0.0615055631,0.0615055631,GGA,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_oP28_19_a_13a_a_a:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-765289,LiSnPO4,-6.8348911657,-2.3893837267,0.0820694699,0.0820694699,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_13a_a_a:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-757945,LiSnPO4,-6.864947436,-2.4194399969,0.0520131996,0.0520131996,GGA,Pna2_1,AB4CD_oP84_33_3a_12a_3a_3a:Li-O-P-Sn,84.0,"Invalid WP multiplicities - AB4CD_oP84_33_9a_45a_9a_9a:Li-O-P-Sn, expected LiSnPO5 to be LiSnPO4" +mp-755392,LiSnPO4,-6.8433327711,-2.397825332,0.0736278645,0.0736278645,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_13a_a_a:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-27017,LiSnPO4,-6.9112333086,-2.4657258695,0.005727327,0.005727327,GGA,Pna2_1,AB4CD_oP56_33_2a_8a_2a_2a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB4CD_oP56_33_5a_29a_5a_5a:Li-O-P-Sn, expected Li5Sn5P5O29 to be LiSnPO4" +mp-757590,LiSnPO4,-6.852594693,-2.407087254,0.0643659426,0.0643659426,GGA,Pbca,AB4CD_oP56_61_c_4c_c_c:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB4CD_oP56_61_c_13c_c_c:Li-O-P-Sn, expected LiSnPO13 to be LiSnPO4" +mp-753654,LiSnPO4,-6.8258486457,-2.3803412067,0.0911119899,0.0911119899,GGA,I-4,AB4CD_tI14_82_a_g_c_b:Li-O-P-Sn,7.0,AB4CD_tI14_82_a_g_c_b:Li-O-P-Sn +mp-774658,LiSnPO4,-6.8350602364,-2.3895527974,0.0819003992,0.0819003992,GGA,R3,AB4CD_hR126_146_2b_8b_2b_2b:Li-O-P-Sn,42.0,"Invalid WP multiplicities - AB4CD_hR126_146_5b_21b_5b_6b:Li-O-P-Sn, expected Li5Sn6P5O21 to be LiSnPO4" +mp-26725,LiSnPO4,-6.8818476314,-2.4363401924,0.0351130042,0.0351130042,GGA,P31c,AB4CD_hP42_159_c_a2b3c_a2b_c:Li-O-P-Sn,42.0,"Invalid WP multiplicities - AB4CD_hP42_159_c_2a4b14c_a4b_c:Li-O-P-Sn, expected Li3Sn3P5O48 to be LiSnPO4" +mp-758224,Li3Sn2(PO4)3,-6.9376241234,-2.4703199051,0.0841085692,0.0841085692,GGA,P1,A3B12C3D2_aP80_1_12a_48a_12a_8a:Li-O-P-Sn,80.0,A3B12C3D2_aP80_1_12a_48a_12a_8a:Li-O-P-Sn +mp-757966,Li3Sn2(PO4)3,-6.9300324588,-2.4627282405,0.0917002338,0.0917002338,GGA,C2/m,A3B12C3D2_mC80_12_3i_6i3j_3i_aci:Li-O-P-Sn,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_12_5i_10i12j_6i_adi:Li-O-P-Sn, expected Li5Sn2(P3O17)2 to be Li3Sn2(PO4)3" +mp-758376,Li3Sn2(PO4)3,-6.9318395599,-2.4645353416,0.0898931327,0.0898931327,GGA,P2/c,A3B12C3D2_mP80_13_abefg_12g_ef2g_2g:Li-O-P-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_13_2a2b2e2f4g_47g_2e2f7g_8g:Li-O-P-Sn, expected Li8Sn8P9O47 to be Li3Sn2(PO4)3" +mp-757899,Li3Sn2(PO4)3,-6.9774297675,-2.5101255493,0.0443029251,0.0443029251,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_10e_48e_11e_6e:Li-O-P-Sn, expected Li10Sn6P11O48 to be Li3Sn2(PO4)3" +mp-27093,Li3Sn2(PO4)3,-6.975366799,-2.5080625807,0.0463658936,0.0463658936,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_5e:Li-O-P-Sn, expected Li9Sn5(PO5)9 to be Li3Sn2(PO4)3" +mp-26701,Li3Sn2(PO4)3,-6.9866009505,-2.5192967322,0.0351317421,0.0351317421,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_11e_5e:Li-O-P-Sn, expected Li9Sn5P11O45 to be Li3Sn2(PO4)3" +mp-585408,Li3Sn2(PO4)3,-6.974170463,-2.5068662448,0.0475622296,0.0475622296,GGA,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Li-O-P-Sn,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_21f_f_3c:Li-O-P-Sn, expected LiSnPO21 to be Li3Sn2(PO4)3" +mp-779010,Li9Sn3P8O29,-6.9495700187,-2.5420309565,0.0801141352,0.0801141352,GGA,P-3c1,A9B29C8D3_hP98_165_bdg_df4g_dg_f:Li-O-P-Sn,98.0,"Invalid WP multiplicities - A9B29C8D3_hP98_165_b2d3g_2d6f45g_2d3g_f:Li-O-P-Sn, expected Li23Sn3(P11O146)2 to be Li9Sn3P8O29" +mp-26949,LiSn2(PO3)5,-7.3369058678,-2.5023445731,0.0,-0.0107406216,GGA,Pc,AB15C5D2_mP46_7_a_15a_5a_2a:Li-O-P-Sn,46.0,"Invalid WP multiplicities - AB15C5D2_mP46_7_a_30a_10a_4a:Li-O-P-Sn, expected LiSn4(PO3)10 to be LiSn2(PO3)5" +mp-765193,LiSn10(PO4)7,-6.9839536851,-2.2360179704,0.0879497426,0.0879497426,GGA,R3c,AB28C7D10_hR276_161_a_a9b_a2b_a3b:Li-O-P-Sn,92.0,"Invalid WP multiplicities - AB28C7D10_hR276_161_a_2a50b_2a8b_2a13b:Li-O-P-Sn, expected LiSn41(P13O76)2 to be LiSn10(PO4)7" +mp-721238,Li10Sn(PO6)2,-6.1794755,-2.4480486972,0.0993514611,0.0993514611,GGA,P1,A10B12C2D_aP50_1_20a_24a_4a_2a:Li-O-P-Sn,50.0,A10B12C2D_aP50_1_20a_24a_4a_2a:Li-O-P-Sn +mp-696136,Li10Sn(PO6)2,-6.1373859554,-2.4059591526,0.1414410057,0.1414410057,GGA,P4_2mc,A10B12C2D_tP50_105_ab2f_3d3e_ac_b:Li-O-P-Sn,50.0,A10B12C2D_tP50_105_ab2f_3d3e_ac_b:Li-O-P-Sn +mp-757663,LiSn(PO3)4,-7.32341073,-2.4938568809,0.0514127785,0.0514127785,GGA,P-1,AB12C4D_aP36_2_i_12i_4i_bc:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_c:Li-O-P-Sn, expected LiSn(P5O23)2 to be LiSn(PO3)4" +mp-25907,LiSn(PO3)4,-7.3324458193,-2.5028919702,0.0423776892,0.0423776892,GGA,Pbcn,AB12C4D_oP72_60_c_6d_2d_c:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_oP72_60_c_21d_5d_c:Li-O-P-Sn, expected LiSn(P5O21)2 to be LiSn(PO3)4" +mp-757616,LiSn(PO3)4,-7.2957863464,-2.4662324973,0.0790371621,0.0790371621,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Sn, expected LiSnP7O23 to be LiSn(PO3)4" +mp-757047,LiSn(PO3)4,-7.2810822642,-2.4515284151,0.0937412443,0.0937412443,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Sn, expected LiSnP7O23 to be LiSn(PO3)4" +mp-1101525,LiSn(PO3)4,-7.3059863918,-2.4764325427,0.0688371167,0.0688371167,GGA,P2_1,AB12C4D_mP72_4_2a_24a_8a_2a:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_mP72_4_3a_48a_16a_3a:Li-O-P-Sn, expected Li3Sn3(PO3)16 to be LiSn(PO3)4" +mp-757806,LiSn(PO3)4,-7.322371418899999,-2.4928175698,0.0524520896,0.0524520896,GGA,Cc,AB12C4D_mC72_9_a_12a_4a_a:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-Sn, expected LiSn(P5O23)2 to be LiSn(PO3)4" +mp-757569,LiSn(PO3)4,-7.2953446397,-2.4657907906,0.0794788688,0.0794788688,GGA,C2/m,AB12C4D_mC72_12_i_gi5j_2j_e:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_i_g2i9j_3j_f:Li-O-P-Sn, expected LiSn(P2O7)3 to be LiSn(PO3)4" +mp-757431,LiSn(PO3)4,-7.2892654474,-2.4597115983,0.0855580611,0.0855580611,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-Sn, expected LiSnP13O45 to be LiSn(PO3)4" +mp-757578,LiSn(PO3)4,-7.2905663883,-2.4610125393,0.0842571202,0.0842571202,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-Sn, expected LiSnP15O47 to be LiSn(PO3)4" +mp-757974,LiSn(PO3)4,-7.2898614465,-2.4603075975,0.084962062,0.084962062,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_13e_e:Li-O-P-Sn, expected LiSnP13O47 to be LiSn(PO3)4" +mp-757597,LiSn(PO3)4,-7.2832293663,-2.4536755172,0.0915941422,0.0915941422,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-Sn, expected LiSnP13O45 to be LiSn(PO3)4" +mp-765286,LiSn(PO3)4,-7.3226091903,-2.4930553412,0.0522143182,0.0522143182,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_5f_e:Li-O-P-Sn, expected LiSn(P5O21)2 to be LiSn(PO3)4" +mp-1176593,LiSn(PO3)4,-7.3252959286,-2.4957420795000003,0.0495275799,0.0495275799,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_c:Li-O-P-Sn, expected LiSn(P5O23)2 to be LiSn(PO3)4" +mp-1176668,LiSn(PO3)4,-7.323211195,-2.4936573459,0.0516123135,0.0516123135,GGA,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-Sn, expected LiSn(P5O23)2 to be LiSn(PO3)4" +mp-757997,LiSn(PO3)4,-7.2975526519,-2.4679988029,0.0772708566,0.0772708566,GGA,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-Sn, expected Li2Sn2P15O46 to be LiSn(PO3)4" +mp-26856,LiSn(PO3)4,-7.2938635861,-2.464309737,0.0809599224,0.0809599224,GGA,P4_2/nnm,AB12C4D_tP72_134_e_2m2n_ij_d:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C4D_tP72_134_e_14m22n_5i5j_d:Li-O-P-Sn, expected LiSn(P5O29)4 to be LiSn(PO3)4" +mp-672976,LiSn(PO3)3,-7.2795853346,-2.5168281459,0.0215129094,0.0215129094,GGA,P-1,AB9C3D_aP56_2_2i_18i_6i_2i:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_aP56_2_4i_36i_12i_3i:Li-O-P-Sn, expected Li4Sn3(PO3)12 to be LiSn(PO3)3" +mp-504211,LiSn(PO3)3,-7.2847058714,-2.5219486826,0.0163923726,0.0163923726,GGA,P-1,AB9C3D_aP28_2_i_9i_3i_i:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB9C3D_aP28_2_i_17i_5i_i:Li-O-P-Sn, expected LiSnP5O17 to be LiSn(PO3)3" +mp-26897,LiSn(PO3)3,-7.2596342532,-2.4968770644,0.0414639909,0.0414639909,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB9C3D_hP28_188_a_3k3l_k_c:Li-O-P-Sn, expected LiSn(PO9)3 to be LiSn(PO3)3" +mp-757838,LiSn(PO3)3,-7.2343822325,-2.4716250437,0.0667160116,0.0667160116,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-Sn, expected LiSn(P3O11)3 to be LiSn(PO3)3" +mp-757889,LiSn(PO3)3,-7.2061322727,-2.4433750839,0.0949659714,0.0949659714,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-Sn, expected LiSn(P3O11)3 to be LiSn(PO3)3" +mp-758086,LiSn(PO3)3,-7.2544988754,-2.4917416866,0.0465993687,0.0465993687,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-Sn, expected LiSn(P3O11)3 to be LiSn(PO3)3" +mp-684503,LiSn(PO3)3,-7.2647263561,-2.5019691673,0.036371888,0.036371888,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_36a_8a_a:Li-O-P-Sn, expected LiSn(P2O9)4 to be LiSn(PO3)3" +mp-684509,LiSn(PO3)3,-7.2611958163,-2.4984386275,0.0399024278,0.0399024278,GGA,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_34a_9a_a:Li-O-P-Sn, expected LiSnP9O34 to be LiSn(PO3)3" +mp-757301,LiSn(PO3)3,-7.2130010418,-2.450243853,0.0880972023,0.0880972023,GGA,Pnma,AB9C3D_oP56_62_c_3c3d_cd_c:Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C3D_oP56_62_c_10c11d_2c3d_c:Li-O-P-Sn, expected LiSn(PO4)8 to be LiSn(PO3)3" +mp-757964,LiSn2P5O16,-7.2746607392,-2.4354274687,0.0985491488,0.0985491488,GGA,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Li-O-P-Sn,48.0,"Invalid WP multiplicities - AB16C5D2_mP48_7_a_32a_9a_3a:Li-O-P-Sn, expected LiSn3P9O32 to be LiSn2P5O16" +mp-673029,LiSn2P5O16,-7.2862426123,-2.4470093419,0.0869672757,0.0869672757,GGA,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Li-O-P-Sn,48.0,"Invalid WP multiplicities - AB16C5D2_mP48_7_a_31a_8a_4a:Li-O-P-Sn, expected LiSn4P8O31 to be LiSn2P5O16" +mp-758299,Li2SnP2O7,-6.9500837871000005,-2.5100134887000003,0.0630125215,0.0630125215,GGA,P1,A2B7C2D_aP48_1_8a_28a_8a_4a:Li-O-P-Sn,48.0,A2B7C2D_aP48_1_8a_28a_8a_4a:Li-O-P-Sn +mp-26407,Li2SnP2O7,-6.9869223223,-2.5468520239,0.0261739862,0.0261739862,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Li-O-P-Sn,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_5e_27e_7e_e:Li-O-P-Sn, expected Li5SnP7O27 to be Li2SnP2O7" +mp-673071,Li2SnP2O7,-6.9763901692,-2.5363198708,0.0367061394,0.0367061394,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-Sn,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_14i_3i_i:Li-O-P-Sn, expected Li3SnP3O14 to be Li2SnP2O7" +mp-26649,Li2SnP2O7,-6.9933107208,-2.5532404225,0.0197855877,0.0197855877,GGA,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-Sn,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_13i_3i_i:Li-O-P-Sn, expected Li3SnP3O13 to be Li2SnP2O7" +mp-757946,Li2SnP2O7,-6.9497551429,-2.5096848445,0.0633411656,0.0633411656,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Li-O-P-Sn,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_5e_25e_5e_e:Li-O-P-Sn, expected Li5Sn(PO5)5 to be Li2SnP2O7" +mp-758115,Li2SnP2O7,-6.9927164183,-2.55264612,0.0203798902,0.0203798902,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Li-O-P-Sn,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_3e_25e_7e_e:Li-O-P-Sn, expected Li3SnP7O25 to be Li2SnP2O7" +mp-761841,Li2SnP2O7,-6.9721331986,-2.5320629003,0.0409631099,0.0409631099,GGA,P2_1/c,A2B7C2D_mP96_14_4e_14e_4e_2e:Li-O-P-Sn,96.0,"Invalid WP multiplicities - A2B7C2D_mP96_14_13e_53e_13e_5e:Li-O-P-Sn, expected Li13Sn5P13O53 to be Li2SnP2O7" +mp-863377,Li2SnP2O7,-6.9273059454,-2.487235647,0.0857903631,0.0857903631,GGA,C2/c,A2B7C2D_mC48_15_f_e3f_f_a:Li-O-P-Sn,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_15_f_e10f_f_c:Li-O-P-Sn, expected Li2SnP2O21 to be Li2SnP2O7" +mp-27033,Li2SnP2O7,-6.9960919271,-2.5560216287,0.0170043815,0.0170043815,GGA,C2/c,A2B7C2D_mC96_15_2ef_7f_2f_f:Li-O-P-Sn,48.0,"Invalid WP multiplicities - A2B7C2D_mC96_15_3e2f_17f_3f_f:Li-O-P-Sn, expected Li7Sn2(P3O17)2 to be Li2SnP2O7" +mp-774623,Li4Sn(PO4)2,-6.7031536597,-2.5667951247,0.0554210106,0.0554210106,GGA,P2_1/c,A4B8C2D_mP60_14_4e_8e_2e_e:Li-O-P-Sn,60.0,"Invalid WP multiplicities - A4B8C2D_mP60_14_13e_29e_2e_e:Li-O-P-Sn, expected Li13SnP2O29 to be Li4Sn(PO4)2" +mp-673092,Li4Sn(PO3)6,-7.1768176548,-2.5849047181,0.0390831396,0.0390831396,GGA,P1,A4B18C6D_aP29_1_4a_18a_6a_a:Li-O-P-Sn,29.0,A4B18C6D_aP29_1_4a_18a_6a_a:Li-O-P-Sn +mp-758031,Li4Sn(PO3)6,-7.1625326088,-2.5706196721,0.0533681857,0.0533681857,GGA,C2/c,A4B18C6D_mC116_15_2f_9f_3f_e:Li-O-P-Sn,58.0,"Invalid WP multiplicities - A4B18C6D_mC116_15_3f_33f_5f_e:Li-O-P-Sn, expected Li6Sn(P5O33)2 to be Li4Sn(PO3)6" +mp-684470,Li3Sn2P5O16,-7.1400007931,-2.5261760153,0.0366107312,0.0366107312,GGA,P2/c,A3B16C5D2_mP52_13_eg_8g_f2g_g:Li-O-P-Sn,52.0,"Invalid WP multiplicities - A3B16C5D2_mP52_13_eg_27g_2f5g_g:Li-O-P-Sn, expected Li3Sn2(P2O9)6 to be Li3Sn2P5O16" +mp-761694,LiSn3Sb(PO4)6,-7.3034366214,-2.4672370848,0.007919991,0.007919991,GGA,P1,AB24C6DE3_aP35_1_a_24a_6a_a_3a:Li-O-P-Sb-Sn,35.0,AB24C6DE3_aP35_1_a_24a_6a_a_3a:Li-O-P-Sb-Sn +mp-857354,LiSn3Sb(PO4)6,-7.2984304069,-2.4622308702,0.0129262056,0.0129262056,GGA,R3,AB24C6DE3_hR105_146_a_8b_2b_a_3a:Li-O-P-Sb-Sn,35.0,"Invalid WP multiplicities - AB24C6DE3_hR105_146_a_20b_2b_a_3a:Li-O-P-Sb-Sn, expected LiSn3Sb(PO10)6 to be LiSn3Sb(PO4)6" +mp-684052,LiSn6P7O24,-7.1592730521,-2.3545361939,0.0596841033,0.0596841033,GGA,P2_1/m,AB24C7D6_mP76_11_e_2e11f_e3f_3f:Li-O-P-Sn,76.0,"Invalid WP multiplicities - AB24C7D6_mP76_11_e_4e43f_e11f_9f:Li-O-P-Sn, expected LiSn18P23O90 to be LiSn6P7O24" +mp-758002,Li3Sn(PO4)2,-6.851708404,-2.5562473213,0.0552397908,0.0552397908,GGA,P3,A3B8C2D_hP42_143_abc2d_8d_2d_abc:Li-O-P-Sn,42.0,"Invalid WP multiplicities - A3B8C2D_hP42_143_abc4d_20d_2d_abc:Li-O-P-Sn, expected Li5Sn(PO10)2 to be Li3Sn(PO4)2" +mp-673096,Li3Sn(PO3)6,-7.2064985739,-2.5187645633,0.0831676725,0.0831676725,GGA,P1,A3B18C6D_aP28_1_3a_18a_6a_a:Li-O-P-Sn,28.0,A3B18C6D_aP28_1_3a_18a_6a_a:Li-O-P-Sn +mp-757551,Li3Sn3(PO4)4,-7.0192950838,-2.4594599465,0.064244646,0.064244646,GGA,P1,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-Sn,78.0,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-Sn +mp-758156,Li3Sn3(PO4)4,-7.0077897587,-2.4479546213,0.0757499712,0.0757499712,GGA,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-Sn,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_29a_7a_5a:Li-O-P-Sn, expected Li5Sn5P7O29 to be Li3Sn3(PO4)4" +mp-758291,Li3Sn3(PO4)4,-6.9845923135,-2.4247571761,0.0989474163,0.0989474163,GGA,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-Sn,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_32a_8a_5a:Li-O-P-Sn, expected Li5Sn5(PO4)8 to be Li3Sn3(PO4)4" +mp-26650,LiSnP2O7,-7.1225295636,-2.4523549533,0.1001439635,0.1001439635,GGA,P1,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-Sn,22.0,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-Sn +mp-766457,LiSnP2O7,-7.1747671536,-2.5045925433000003,0.0479063735,0.0479063735,GGA,P-1,AB7C2D_aP44_2_2i_14i_4i_2i:Li-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_aP44_2_3i_27i_7i_3i:Li-O-P-Sn, expected Li3Sn3P7O27 to be LiSnP2O7" +mp-935710,LiSnP2O7,-2.1492448964,2.520929714,5.0734286308,5.0734286308,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-Sn, expected LiSnP3O13 to be LiSnP2O7" +mp-759068,LiSnP2O7,-7.127851175,-2.4576765647,0.0948223522,0.0948223522,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-Sn, expected LiSnP3O13 to be LiSnP2O7" +mp-26710,LiSnP2O7,-7.1232357714,-2.453061161,0.0994377558,0.0994377558,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-Sn, expected LiSnP3O13 to be LiSnP2O7" +mp-1345407,LiSnP2O7,-4.9427690736,-0.2725944633,2.2799044535,2.2799044535,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-Sn, expected LiSnP3O13 to be LiSnP2O7" +mp-753973,LiSnP2O7,-7.1432919877,-2.4731173774,0.0793815394,0.0793815394,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_13a_3a_a:Li-O-P-Sn, expected LiSnP3O13 to be LiSnP2O7" +mp-684446,LiSnP2O7,-7.1220502373,-2.4518756269,0.1006232899,0.1006232899,GGA,Pc,AB7C2D_mP44_7_2a_14a_4a_2a:Li-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_7_4a_27a_7a_2a:Li-O-P-Sn, expected Li4Sn2P7O27 to be LiSnP2O7" +mp-673144,LiSnP2O7,-7.0467983507,-2.3766237403,0.1758751765,0.1758751765,GGA,Cc,AB7C2D_mC88_9_2a_14a_4a_2a:Li-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_mC88_9_3a_27a_6a_2a:Li-O-P-Sn, expected Li3Sn2(P2O9)3 to be LiSnP2O7" +mp-757532,LiSnP2O7,-7.1297935266,-2.4596189162,0.0928800006,0.0928800006,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Sn, expected LiSnP3O25 to be LiSnP2O7" +mp-757138,Li2Sn(PO3)4,-7.1695642608,-2.4937278318,0.0881879124,0.0881879124,GGA,P2_1/c,A2B12C4D_mP76_14_2e_12e_4e_e:Li-O-P-Sn,76.0,"Invalid WP multiplicities - A2B12C4D_mP76_14_7e_43e_15e_e:Li-O-P-Sn, expected Li7SnP15O43 to be Li2Sn(PO3)4" +mp-26271,Li2Sn(PO3)4,-7.2377159264,-2.5618794975,0.0200362468,0.0200362468,GGA,P2_1/c,A2B12C4D_mP76_14_2e_12e_4e_e:Li-O-P-Sn,76.0,"Invalid WP multiplicities - A2B12C4D_mP76_14_7e_45e_13e_e:Li-O-P-Sn, expected Li7SnP13O45 to be Li2Sn(PO3)4" +mp-863365,Li2Sn(PO3)4,-7.2033712311,-2.5275348021,0.0543809422,0.0543809422,GGA,C2/c,A2B12C4D_mC76_15_f_2e5f_2f_e:Li-O-P-Sn,38.0,"Invalid WP multiplicities - A2B12C4D_mC76_15_f_4e11f_3f_e:Li-O-P-Sn, expected Li2Sn(P3O13)2 to be Li2Sn(PO3)4" +mp-26855,Li2Sn(PO3)4,-7.2140653168,-2.5382288879,0.0436868564,0.0436868564,GGA,P4/nbm,A2B12C4D_tP38_125_e_mn_l_a:Li-O-P-Sn,38.0,"Invalid WP multiplicities - A2B12C4D_tP38_125_e_4m5n_l_a:Li-O-P-Sn, expected Li2Sn(PO14)4 to be Li2Sn(PO3)4" +mp-775971,Li5Sn5(PO4)6,-6.928015717,-2.408195274,0.0972213298,0.0972213298,GGA,P1,A5B24C6D5_aP40_1_5a_24a_6a_5a:Li-O-P-Sn,40.0,A5B24C6D5_aP40_1_5a_24a_6a_5a:Li-O-P-Sn +mp-757967,LiSn4P7O24,-7.265164462099999,-2.4162517703,0.0879297511,0.0879297511,GGA,P-1,AB24C7D4_aP72_2_i_24i_7i_4i:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB24C7D4_aP72_2_i_47i_13i_7i:Li-O-P-Sn, expected LiSn7P13O47 to be LiSn4P7O24" +mp-757479,Li2Sn(PO3)6,-7.2781012289,-2.487448287,0.0827848185,0.0827848185,GGA,P1,A2B18C6D_aP27_1_2a_18a_6a_a:Li-O-P-Sn,27.0,A2B18C6D_aP27_1_2a_18a_6a_a:Li-O-P-Sn +mp-765351,Li2Sn4P4O15,-6.958202699,-2.329815745,0.0999346388,0.0999346388,GGA,C2/c,A2B15C4D4_mC200_15_2f_15f_4f_c3e2f:Li-O-P-Sn,100.0,"Invalid WP multiplicities - A2B15C4D4_mC200_15_5f_59f_15f_2a6e7f:Li-O-P-Sn, expected Li5Sn11P15O59 to be Li2Sn4P4O15" +mp-757947,Li2Sn(PO3)5,-7.2583041683,-2.5150754382,0.0646844851,0.0646844851,GGA,P2_1/m,A2B15C5D_mP46_11_f_3e6f_e2f_a:Li-O-P-Sn,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_11_f_5e12f_e4f_a:Li-O-P-Sn, expected Li2SnP9O29 to be Li2Sn(PO3)5" +mp-729013,LiSn2(PO4)3,-3.7182376586,1.0333311543,3.5635380747000003,3.548103507,GGA,P-1,AB12C3D2_aP72_2_2i_24i_6i_4i:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_aP72_2_3i_47i_11i_7i:Li-O-P-Sn, expected Li3Sn7P11O47 to be LiSn2(PO4)3" +mp-780235,LiSn2(PO4)3,-7.2674414872,-2.5158726744,0.0143342461,-0.0011003216,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Sn, expected LiSn3P5O23 to be LiSn2(PO4)3" +mp-759384,LiSn2(PO4)3,-7.2790701517,-2.5275013388,0.0027055817,-0.012728986,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Sn, expected LiSn3P5O23 to be LiSn2(PO4)3" +mp-27122,LiSn2(PO4)3,-7.2783730996,-2.5268042867,0.0034026337,-0.0120319339,GGA,P-1,AB12C3D2_aP72_2_2i_24i_6i_4i:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_aP72_2_3i_47i_11i_7i:Li-O-P-Sn, expected Li3Sn7P11O47 to be LiSn2(PO4)3" +mp-677864,LiSn2(PO4)3,-2.6316285256,2.1199402873,4.6501472078,4.6347126401,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_22i_5i_3i:Li-O-P-Sn, expected LiSn3P5O22 to be LiSn2(PO4)3" +mp-554917,LiSn2(PO4)3,-7.2817757333,-2.5302069205,0.0,-0.0154345677,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_22i_5i_3i:Li-O-P-Sn, expected LiSn3P5O22 to be LiSn2(PO4)3" +mp-26702,LiSn2(PO4)3,-7.2765676461,-2.5249988332,0.0052080872,-0.0102264805,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_7e:Li-O-P-Sn, expected LiSn7(PO5)9 to be LiSn2(PO4)3" +mp-27094,LiSn2(PO4)3,-7.2791254904,-2.5275566775,0.0026502429,-0.0127843248,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_3e:Li-O-P-Sn, expected LiSn3(PO5)9 to be LiSn2(PO4)3" +mp-850532,LiSn2(PO4)3,-7.2662501072,-2.5146812944,0.0155256261,9.10584e-05,GGA,P2_12_12,AB12C3D2_oP72_18_c_12c_ab2c_2c:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_18_c_22c_2a2b2c_2c:Li-O-P-Sn, expected LiSn2(P2O11)2 to be LiSn2(PO4)3" +mp-773129,LiSn2(PO4)3,-7.2621212732,-2.5105524603,0.0196544601,0.0042198925,GGA,Pca2_1,AB12C3D2_oP72_29_a_12a_3a_2a:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_29_a_22a_5a_2a:Li-O-P-Sn, expected LiSn2P5O22 to be LiSn2(PO4)3" +mp-760231,LiSn2(PO4)3,-7.2696209033,-2.5180520905,0.01215483,-0.0032797377,GGA,Pna2_1,AB12C3D2_oP72_33_a_12a_3a_2a:Li-O-P-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_33_a_46a_10a_7a:Li-O-P-Sn, expected LiSn7(P5O23)2 to be LiSn2(PO4)3" +mp-562473,LiSn2(PO4)3,-7.2761723472,-2.5246035344,0.0056033861,-0.0098311816,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Li-O-P-Sn, expected LiSn2(PO26)3 to be LiSn2(PO4)3" +mp-757560,Li3Sn2(PO3)7,-7.203671695,-2.4909597922,0.0724697204,0.0724697204,GGA,P-1,A3B21C7D2_aP66_2_3i_21i_7i_2i:Li-O-P-Sn,66.0,"Invalid WP multiplicities - A3B21C7D2_aP66_2_5i_41i_13i_3i:Li-O-P-Sn, expected Li5Sn3P13O41 to be Li3Sn2(PO3)7" +mp-673134,LiSn2P3O10,-7.1432811094,-2.4161022838,0.0584731334,0.0584731334,GGA,P2_1/m,AB10C3D2_mP32_11_a_4e3f_3e_f:Li-O-P-Sn,32.0,"Invalid WP multiplicities - AB10C3D2_mP32_11_a_6e10f_5e_f:Li-O-P-Sn, expected LiSn2P5O26 to be LiSn2P3O10" +mp-684493,LiSn2P3O10,-7.1548063958,-2.4276275702,0.046947847,0.046947847,GGA,P2_1/c,AB10C3D2_mP64_14_e_10e_3e_2e:Li-O-P-Sn,64.0,"Invalid WP multiplicities - AB10C3D2_mP64_14_e_39e_9e_2e:Li-O-P-Sn, expected LiSn2(P3O13)3 to be LiSn2P3O10" +mp-673119,LiSn2P3O10,-7.1497740381,-2.4225952126,0.0519802046,0.0519802046,GGA,C2/c,AB10C3D2_mC64_15_e_5f_ef_f:Li-O-P-Sn,32.0,"Invalid WP multiplicities - AB10C3D2_mC64_15_e_17f_2e3f_f:Li-O-P-Sn, expected LiSn2(P4O17)2 to be LiSn2P3O10" +mp-757282,Li2Sn5(PO4)4,-6.9381413226,-2.3208844924,0.066811516,0.066811516,GGA,P-1,A2B16C4D5_aP27_2_i_8i_2i_a2i:Li-O-P-Sn,27.0,"Invalid WP multiplicities - A2B16C4D5_aP27_2_i_15i_3i_a3i:Li-O-P-Sn, expected Li2Sn7(PO5)6 to be Li2Sn5(PO4)4" +mp-757844,Li5Sn(P2O7)2,-6.9230710171,-2.5705277599,0.0859943243,0.0859943243,GGA,P-1,A5B14C4D_aP48_2_5i_14i_4i_i:Li-O-P-Sn,48.0,"Invalid WP multiplicities - A5B14C4D_aP48_2_9i_27i_7i_i:Li-O-P-Sn, expected Li9SnP7O27 to be Li5Sn(P2O7)2" +mp-757547,Li2Sn3(P2O7)2,-7.0582782689,-2.4168255175,0.059256849,0.059256849,GGA,P-1,A2B14C4D3_aP46_2_2i_14i_4i_3i:Li-O-P-Sn,46.0,"Invalid WP multiplicities - A2B14C4D3_aP46_2_3i_27i_7i_5i:Li-O-P-Sn, expected Li3Sn5P7O27 to be Li2Sn3(P2O7)2" +mp-26871,Li2Sn3(P2O7)2,-7.0723606839,-2.4309079325000003,0.045174434,0.045174434,GGA,P-1,A2B14C4D3_aP23_2_i_7i_2i_ai:Li-O-P-Sn,23.0,"Invalid WP multiplicities - A2B14C4D3_aP23_2_i_13i_3i_ai:Li-O-P-Sn, expected Li2Sn3(P3O13)2 to be Li2Sn3(P2O7)2" +mp-757884,Li2Sn3(P2O7)2,-7.0430538974,-2.401601146,0.0744812205,0.0744812205,GGA,P2_1/c,A2B14C4D3_mP46_14_e_7e_2e_ae:Li-O-P-Sn,46.0,"Invalid WP multiplicities - A2B14C4D3_mP46_14_e_27e_3e_2a2e:Li-O-P-Sn, expected LiSn3(PO9)3 to be Li2Sn3(P2O7)2" +mp-765150,LiSn4(PO4)3,-6.955446214,-2.2780770969,0.0803038956,0.0803038956,GGA,P-1,AB12C3D4_aP40_2_i_12i_3i_4i:Li-O-P-Sn,40.0,"Invalid WP multiplicities - AB12C3D4_aP40_2_i_23i_5i_7i:Li-O-P-Sn, expected LiSn7P5O23 to be LiSn4(PO4)3" +mp-757747,LiSn4(PO4)3,-6.953074933,-2.2757058159,0.0826751766,0.0826751766,GGA,Pnma,AB12C3D4_oP80_62_c_2c5d_cd_2d:Li-O-P-Sn,80.0,"Invalid WP multiplicities - AB12C3D4_oP80_62_c_6c19d_3c2d_5d:Li-O-P-Sn, expected LiSn10P7O44 to be LiSn4(PO4)3" +mp-673024,LiSn4(PO4)3,-7.005790252,-2.3284211349,0.0299598576,0.0299598576,GGA,R3c,AB12C3D4_hR120_161_a_4b_b_ab:Li-O-P-Sn,40.0,"Invalid WP multiplicities - AB12C3D4_hR120_161_a_23b_b_a2b:Li-O-P-Sn, expected LiSn7(PO23)3 to be LiSn4(PO4)3" +mp-673101,LiSn4(PO4)3,-6.9964161003,-2.3190469832,0.0393340093,0.0393340093,GGA,P6_3,AB12C3D4_hP40_173_b_4c_c_bc:Li-O-P-Sn,40.0,"Invalid WP multiplicities - AB12C3D4_hP40_173_b_20c_c_2b3c:Li-O-P-Sn, expected LiSn11(PO20)3 to be LiSn4(PO4)3" +mp-765222,LiSn3(P3O10)2,-7.280316508,-2.4352755848,0.0808239751,0.0808239751,GGA,C222_1,AB20C6D3_oC120_20_a_10c_3c_a2b:Li-O-P-Sn,60.0,"Invalid WP multiplicities - AB20C6D3_oC120_20_a_19c_5c_2a4b:Li-O-P-Sn, expected LiSn6(P5O19)2 to be LiSn3(P3O10)2" +mp-765227,Li6Sn5(P2O7)4,-6.9974817443,-2.4588625859,0.0667229178,0.0667229178,GGA,P-1,A6B28C8D5_aP94_2_ab5i_28i_8i_5i:Li-O-P-Sn,94.0,"Invalid WP multiplicities - A6B28C8D5_aP94_2_ab10i_54i_14i_8i:Li-O-P-Sn, expected Li11Sn8(P7O27)2 to be Li6Sn5(P2O7)4" +mp-6488,KTiAsO5,-7.3673832297,-2.5675766141,0.0,-0.0396383858,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:As-K-O-Ti,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_2a_2a_13a_2a:As-K-O-Ti, expected K2Ti2As2O13 to be KTiAsO5" +mp-766047,K5Li3Ti8(AsO5)8,-7.3940055752,-2.5567681508,0.0084870347,0.0084870347,GGA,P1,A8B5C3D40E8_aP64_1_8a_5a_3a_40a_8a:As-K-Li-O-Ti,64.0,A8B5C3D40E8_aP64_1_8a_5a_3a_40a_8a:As-K-Li-O-Ti +mp-762240,K2Li2TiO4,-6.292014895,-2.5452492851,0.01996281,0.01996281,GGA,P2_1/c,A2B2C4D_mP36_14_2e_2e_4e_e:K-Li-O-Ti,36.0,"Invalid WP multiplicities - A2B2C4D_mP36_14_7e_3e_15e_e:K-Li-O-Ti, expected K7Li3TiO15 to be K2Li2TiO4" +mp-755707,K3LiTi7O16,-8.4187317019,-3.2463026943,0.0032546824,0.0032546824,GGA,P1,A3BC16D7_aP27_1_3a_a_16a_7a:K-Li-O-Ti,27.0,A3BC16D7_aP27_1_3a_a_16a_7a:K-Li-O-Ti +mp-1211546,KLi3TiO4,-6.4895179292,-2.6540274393,0.0,-0.0249202923,GGA,P-1,AB3C4D_aP36_2_2i_6i_8i_2i:K-Li-O-Ti,36.0,AB3C4D_aP36_2_2i_6i_8i_2i:K-Li-O-Ti +mp-772826,K2LiTi2(AsO5)2,-7.0966264135,-2.4668717831,0.1074256114,0.1074256114,GGA,Pna2_1,A2B2CD10E2_oP68_33_2a_2a_a_10a_2a:As-K-Li-O-Ti,68.0,"Invalid WP multiplicities - A2B2CD10E2_oP68_33_5a_5a_a_37a_5a:As-K-Li-O-Ti, expected K5LiTi5As5O37 to be K2LiTi2(AsO5)2" +mp-1521341,KCaGdSeO6,-7.408699879,-2.3718833978,0.2003909165,0.2003909165,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-K-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-K-O-Se +mp-1212816,KGd(SeO4)2,-7.1417522299,-1.9957644105,0.0,-0.1727906913,GGA,Pna2_1,ABC8D2_oP96_33_2a_2a_16a_4a:Gd-K-O-Se,96.0,ABC8D2_oP96_33_2a_2a_16a_4a:Gd-K-O-Se +mp-585964,SbS3N2Cl7,-4.1723702304,-0.6222858219,0.1512070245,0.1512070245,GGA,P2_1/c,A7B2C3D_mP104_14_14e_4e_6e_2e:Cl-N-S-Sb,104.0,"Invalid WP multiplicities - A7B2C3D_mP104_14_55e_11e_21e_6e:Cl-N-S-Sb, expected Sb6S21(NCl5)11 to be SbS3N2Cl7" +mp-1203263,SbS8N6Cl5,-5.0060689005,-0.1819562493,0.3550262132,0.3550262132,GGA,P2_1/c,A5B6C8D_mP80_14_5e_6e_8e_e:Cl-N-S-Sb,80.0,A5B6C8D_mP80_14_5e_6e_8e_e:Cl-N-S-Sb +mp-1080847,Mg3SbN,-4.17767412,-0.7244068570000001,0.0,-0.0535237775,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mg-N-Sb,5.0,A3BC_cP5_221_c_b_a:Mg-N-Sb +mp-2223676,MgSbS2NCl6,-4.0991253991,-1.0600439528,0.2071906694,0.2071906694,GGA,Cm,A6BCD2E_mC22_8_4ab_a_a_b_a:Cl-Mg-N-S-Sb,11.0,"Invalid WP multiplicities - A6BCD2E_mC22_8_4a2b_a_a_b_a:Cl-Mg-N-S-Sb, expected MgSbS2NCl8 to be MgSbS2NCl6" +mp-2239851,MgSbS2NCl6,-4.0991366991,-1.0600552528,0.2071793694,0.2071793694,GGA,Imm2,A6BCD2E_oI22_44_c2d_b_a_c_a:Cl-Mg-N-S-Sb,11.0,"Invalid WP multiplicities - A6BCD2E_oI22_44_2c4d_b_a_c_a:Cl-Mg-N-S-Sb, expected MgSbS2NCl12 to be MgSbS2NCl6" +mp-2217785,MgSbS2NCl6,-4.0041978636,-0.9651164174,0.3021182049,0.3021182049,GGA,Immm,A6BCD2E_oI22_71_fl_a_b_e_c:Cl-Mg-N-S-Sb,11.0,"Invalid WP multiplicities - A6BCD2E_oI22_71_2f3l_a_b_e_c:Cl-Mg-N-S-Sb, expected MgSbS2NCl16 to be MgSbS2NCl6" +mp-1029378,Mg2SbN3,-5.9473369075,-0.5574958883000001,0.0,-0.0599843101,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-Sb,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-Sb +mp-555056,SbS2NCl6,-3.933946987,-0.7509854011,0.1244368704,0.1244368704,GGA,Immm,A6BC2D_oI20_71_el_c_f_a:Cl-N-S-Sb,10.0,"Invalid WP multiplicities - A6BC2D_oI20_71_2e3l_c_f_a:Cl-N-S-Sb, expected SbS2NCl16 to be SbS2NCl6" +mp-554625,SbS2NCl8,-3.7663274773,-0.8057700457,0.0573202606,0.0573202606,GGA,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:Cl-N-S-Sb,48.0,"Invalid WP multiplicities - A8BC2D_mP48_14_28e_e_4e_e:Cl-N-S-Sb, expected SbS4NCl28 to be SbS2NCl8" +mp-559738,SbSNCl5,-4.0255198103,-0.7949411438,0.1366886596,0.1366886596,GGA,I-42d,A5BCD_tI128_122_2d4e_2d_e_2d:Cl-N-S-Sb,64.0,"Invalid WP multiplicities - A5BCD_tI128_122_8d26e_5d_e_5d:Cl-N-S-Sb, expected Sb5S2(NCl12)5 to be SbSNCl5" +mp-647878,SbS5N5Cl6,-4.8764523526,-0.3126320492,0.2878460199,0.2878460199,GGA,Fdd2,A6B5C5D_oF272_43_6b_5b_5b_b:Cl-N-S-Sb,68.0,"Invalid WP multiplicities - A6B5C5D_oF272_43_21b_14b_18b_b:Cl-N-S-Sb, expected SbS18(N2Cl3)7 to be SbS5N5Cl6" +mp-554153,SbS4N4Cl5,-4.8592473077000005,-0.3404284714,0.2990215179,0.2990215179,GGA,P2_1/c,A5B4C4D_mP56_14_5e_4e_4e_e:Cl-N-S-Sb,56.0,"Invalid WP multiplicities - A5B4C4D_mP56_14_17e_13e_12e_e:Cl-N-S-Sb, expected SbS12N13Cl17 to be SbS4N4Cl5" +mp-1197784,Ba4MnGa2(S3F2)2,-5.7530726762,-2.4966772545,0.0,-0.0488644788,GGA+U,Cmce,A4B4C2DE6_oC68_64_g_de_f_a_fg:Ba-F-Ga-Mn-S,34.0,A4B4C2DE6_oC68_64_g_de_f_a_fg:Ba-F-Ga-Mn-S +mp-622203,BaMnGaF7,-6.100349328,-3.3514054253,0.0048406178,0.0048406178,GGA+U,C2/c,AB7CD_mC80_15_f_7f_f_ae:Ba-F-Ga-Mn,40.0,"Invalid WP multiplicities - AB7CD_mC80_15_f_25f_f_2c2e:Ba-F-Ga-Mn, expected BaMn2GaF25 to be BaMnGaF7" +mp-989620,LaTaN3,-9.7345906085,-1.3739367065,0.0377326023,0.0377326023,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:La-N-Ta,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_7e_e:La-N-Ta, expected LaTaN7 to be LaTaN3" +mp-1218704,Sr2TaNO3,-8.3214690643,-2.8338511221,0.0124102943,0.0124102943,GGA,Immm,AB3C2D_oI14_71_a_bf_f_c:N-O-Sr-Ta,7.0,AB3C2D_oI14_71_a_bf_f_c:N-O-Sr-Ta +mp-29964,La3(TaN3)2,-9.6660611473,-1.6167387723000002,0.0,-0.2003817028,GGA,I4/mmm,A3B6C2_tI22_139_ae_eg_e:La-N-Ta,11.0,A3B6C2_tI22_139_ae_eg_e:La-N-Ta +mp-694929,SrLaTa2(NO)3,-9.484602769,-2.4655420963,0.020462723,0.020462723,GGA,P1,AB3C3DE2_aP20_1_2a_6a_6a_2a_4a:La-N-O-Sr-Ta,20.0,AB3C3DE2_aP20_1_2a_6a_6a_2a_4a:La-N-O-Sr-Ta +mp-550514,LaTaN2O,-9.901027112,-2.2183344528,0.0,-0.0040207741,GGA,C2/m,AB2CD_mC20_12_i_hi_g_e:La-N-O-Ta,10.0,"Invalid WP multiplicities - AB2CD_mC20_12_i_2g2i_h_e:La-N-O-Ta, expected LaTaN4O to be LaTaN2O" +mp-780737,SrTaNO2,-9.095412644,-2.7399839578,0.013691228,-0.025783751,GGA,P1,AB2CD_aP20_1_4a_8a_4a_4a:N-O-Sr-Ta,20.0,AB2CD_aP20_1_4a_8a_4a_4a:N-O-Sr-Ta +mp-755488,SrTaNO2,-9.102426536,-2.7469978498,0.006677336,-0.032797643,GGA,P2_1,AB2CD_mP20_4_2a_4a_2a_2a:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_mP20_4_3a_7a_3a_2a:N-O-Sr-Ta, expected Sr3Ta2N3O7 to be SrTaNO2" +mp-849636,SrTaNO2,-9.102279781,-2.7468510948,0.006824091,-0.032650888,GGA,C2,AB2CD_mC40_5_2c_4c_2a2b_2c:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_mC40_5_3c_8c_2a2b_4c:N-O-Sr-Ta, expected Sr2Ta4N3O8 to be SrTaNO2" +mp-780671,SrTaNO2,-9.1024822115,-2.7470535253,0.0066216605,-0.0328533185,GGA,C2,AB2CD_mC40_5_abc_ab3c_2c_2c:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_mC40_5_abc_ab4c_3c_3c:N-O-Sr-Ta, expected Sr3Ta3N2O5 to be SrTaNO2" +mp-754505,SrTaNO2,-9.0927994407,-2.7373707545,0.0163044313,-0.0231705477,GGA,Pm,AB2CD_mP15_6_3a_3a3b_3b_3a:N-O-Sr-Ta,15.0,AB2CD_mP15_6_3a_3a3b_3b_3a:N-O-Sr-Ta +mp-755441,SrTaNO2,-9.103007722,-2.7475790358000003,0.00609615,-0.033378829,GGA,Pm,AB2CD_mP20_6_abc_ab3c_2a2b_2c:N-O-Sr-Ta,20.0,AB2CD_mP20_6_abc_ab3c_2a2b_2c:N-O-Sr-Ta +mp-756088,SrTaNO2,-9.1058581385,-2.7504294523,0.0032457335,-0.0362292455,GGA,Pc,AB2CD_mP20_7_2a_4a_2a_2a:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_mP20_7_4a_8a_4a_3a:N-O-Sr-Ta, expected Sr4Ta3(NO2)4 to be SrTaNO2" +mp-754625,SrTaNO2,-9.0877638235,-2.7323351373,0.0213400485,-0.0181349305,GGA,C2/m,AB2CD_mC40_12_2i_fg2i_eh_abi:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_mC40_12_3i_eg4i_fh_abi:N-O-Sr-Ta, expected Sr2Ta2(NO2)3 to be SrTaNO2" +mp-1217759,SrTaNO2,-9.042288528,-2.6868598418,0.066815344,0.027340365,GGA,Pmm2,AB2CD_oP5_25_b_ac_d_a:N-O-Sr-Ta,5.0,AB2CD_oP5_25_b_ac_d_a:N-O-Sr-Ta +mp-1101327,SrTaNO2,-9.106122542,-2.7506938558,0.00298133,-0.036493649,GGA,Pmc2_1,AB2CD_oP10_26_a_ab_b_a:N-O-Sr-Ta,10.0,"Invalid WP multiplicities - AB2CD_oP10_26_a_a2b_b_a:N-O-Sr-Ta, expected SrTaNO3 to be SrTaNO2" +mp-2583419,SrTaNO2,-9.109103872,-2.7536751858,0.0,-0.039474979,GGA,Ama2,AB2CD_oC40_40_ab_abc_2b_c:N-O-Sr-Ta,20.0,"Invalid WP multiplicities - AB2CD_oC40_40_a2b_a2b2c_3b_c:N-O-Sr-Ta, expected Sr3Ta2N3O7 to be SrTaNO2" +mp-552454,SrTaNO2,-9.059841215,-2.7044125288,0.049262657,0.009787678,GGA,I4/mcm,AB2CD_tI20_140_a_h_b_c:N-O-Sr-Ta,10.0,AB2CD_tI20_140_a_h_b_c:N-O-Sr-Ta +mp-776437,LaTa2NO5,-10.0569369,-3.1989923615,0.0338694525,0.0338694525,GGA,P1,ABC5D2_aP36_1_4a_4a_20a_8a:La-N-O-Ta,36.0,ABC5D2_aP36_1_4a_4a_20a_8a:La-N-O-Ta +mp-778010,LaTa2NO5,-10.0550194128,-3.1970748743,0.0357869397,0.0357869397,GGA,P1,ABC5D2_aP36_1_4a_4a_20a_8a:La-N-O-Ta,36.0,ABC5D2_aP36_1_4a_4a_20a_8a:La-N-O-Ta +mp-776407,LaTa2NO5,-10.0649621761,-3.2070176376,0.0258441764,0.0258441764,GGA,P2_1,ABC5D2_mP36_4_2a_2a_10a_4a:La-N-O-Ta,36.0,ABC5D2_mP36_4_4a_4a_20a_8a:La-N-O-Ta +mp-777773,LaTa2NO5,-10.0599924425,-3.202047904,0.03081391,0.03081391,GGA,Pc,ABC5D2_mP36_7_2a_2a_10a_4a:La-N-O-Ta,36.0,ABC5D2_mP36_7_4a_4a_20a_8a:La-N-O-Ta +mp-1221191,Na4B3Cl,-2.3834503738,1.0136512695,1.5671004782,1.5671004782,GGA,I4/mmm,A3BC4_tI16_139_ad_b_ce:B-Cl-Na,8.0,"Invalid WP multiplicities - A3BC4_tI16_139_a2d_b_2c2e:B-Cl-Na, expected Na8B5Cl to be Na4B3Cl" +mp-1194580,RbNa2B6ClO10,-7.4816839715,-2.7308160187,0.0025478587,0.0025478587,GGA,P2_12_12_1,A6BC2D10E_oP80_19_6a_a_2a_10a_a:B-Cl-Na-O-Rb,80.0,A6BC2D10E_oP80_19_6a_a_2a_10a_a:B-Cl-Na-O-Rb +mp-1195615,Na3B6ClO10,-7.4832615806,-2.7152940667000003,0.0043700805,0.0043700805,GGA,P2_12_12_1,A6BC3D10_oP80_19_6a_a_3a_10a:B-Cl-Na-O,80.0,A6BC3D10_oP80_19_6a_a_3a_10a:B-Cl-Na-O +mp-1222188,Na11B21(ClO18)2,-7.5308581915,-2.7223885866,0.0063217062,0.0063217062,GGA,Cc,A21B2C11D36_mC280_9_21a_2a_11a_36a:B-Cl-Na-O,140.0,"Invalid WP multiplicities - A21B2C11D36_mC280_9_31a_3a_16a_53a:B-Cl-Na-O, expected Na16B31Cl3O53 to be Na11B21(ClO18)2" +mp-1190117,Yb2CuTe2(SO7)2,-6.3908741629,-2.0579419387,0.0,-0.0307289086,GGA,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Yb,,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Yb +mp-1222730,Na2Ca17Al12O36,-7.186224318,-3.3090907044,0.0393044465,0.0393044465,GGA,P2_1,A12B17C2D36_mP134_4_12a_17a_2a_36a:Al-Ca-Na-O,134.0,"Invalid WP multiplicities - A12B17C2D36_mP134_4_18a_25a_3a_54a:Al-Ca-Na-O, expected Na3Ca25Al18O54 to be Na2Ca17Al12O36" +mp-2232271,Tb2MgW2(ClO4)2,-8.0308760633,-2.6938190153,0.150678716,0.150678716,GGA+U,C2,A2BC8D2E2_mC30_5_c_a_4c_c_c:Cl-Mg-O-Tb-W,15.0,"Invalid WP multiplicities - A2BC8D2E2_mC30_5_c_a_5c_c_c:Cl-Mg-O-Tb-W, expected Tb2MgW2(ClO5)2 to be Tb2MgW2(ClO4)2" +mp-2240909,Tb2MgW2(ClO4)2,-8.0038395333,-2.6667824853,0.177715246,0.177715246,GGA+U,C2,A2BC8D2E2_mC30_5_c_a_4c_c_c:Cl-Mg-O-Tb-W,15.0,"Invalid WP multiplicities - A2BC8D2E2_mC30_5_c_a_5c_c_c:Cl-Mg-O-Tb-W, expected Tb2MgW2(ClO5)2 to be Tb2MgW2(ClO4)2" +mp-1103802,TbWClO4,-8.3618548836,-2.7578851929,0.0151219749,0.0151219749,GGA+U,C2/m,AB4CD_mC28_12_i_2ij_i_i:Cl-O-Tb-W,14.0,AB4CD_mC28_12_i_2ij_i_i:Cl-O-Tb-W +mp-1521999,NaEuSbWO6,-8.03164554,-2.1969664569,0.1581996615,0.1581996615,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sb-W +mp-774420,Fe2Ni(PO4)3,-7.6623194542,-2.2000777233,0.0374109974,0.0374109974,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Fe-Ni-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_13f_e:Fe-Ni-O-P, expected Fe2Ni(PO26)3 to be Fe2Ni(PO4)3" +mp-754558,FeNi(PO4)2,-7.5068908629,-2.1193681468,0.0691990636,0.0691990636,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Fe-Ni-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Fe-Ni-O-P, expected FeNi(PO5)3 to be FeNi(PO4)2" +mp-752447,FeNi(PO4)2,-7.4777544081,-2.0902316919,0.0983355185,0.0983355185,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Fe-Ni-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Fe-Ni-O-P, expected FeNi(PO10)2 to be FeNi(PO4)2" +mp-780106,FeNi(PO4)2,-7.5171807025,-2.1296579864,0.058909224,0.058909224,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Fe-Ni-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Fe-Ni-O-P, expected FeNi(PO10)2 to be FeNi(PO4)2" +mp-775017,Fe3Ni(PO4)4,-7.7162423392,-2.216641101,0.0453083749,0.0453083749,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Fe-Ni-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Fe-Ni-O-P +mp-1224743,Fe2Ni(PO4)2,-7.8522747223,-2.2276367374,0.0144267208,0.0078498223,GGA+U,P2_1,A2BC8D2_mP26_4_2a_a_8a_2a:Fe-Ni-O-P,26.0,A2BC8D2_mP26_4_2a_a_8a_2a:Fe-Ni-O-P +mp-17631,Fe2Ni(PO4)2,-7.8667014431,-2.2420634582,0.0,-0.0065768985,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Fe-Ni-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_14_e_a_5e_e:Fe-Ni-O-P, expected Fe2Ni(PO5)2 to be Fe2Ni(PO4)2" +mp-1197871,Na2FeNi2(PO4)3,-7.2241899417,-2.3104140812,0.0134949457,0.0134949457,GGA+U,C2/c,AB2C2D12E3_mC80_15_e_ae_f_6f_ef:Fe-Na-Ni-O-P,40.0,AB2C2D12E3_mC80_15_e_ae_f_6f_ef:Fe-Na-Ni-O-P +mp-1221201,Na4FeNi(PO4)3,-6.9495930755,-2.4190963555,0.0089785751,0.0089785751,GGA+U,R3c,AB4CD12E3_hR126_161_a_ab_a_4b_b:Fe-Na-Ni-O-P,42.0,AB4CD12E3_hR126_161_a_ab_a_4b_b:Fe-Na-Ni-O-P +mp-542158,FeNiPO5,-7.6281856131,-2.078572619,0.0052878285,0.0052878285,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:Fe-Ni-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_c_a_7c4d_c:Fe-Ni-O-P, expected FeNiPO15 to be FeNiPO5" +mp-1210544,Na2Fe2Ni(PO4)3,-7.3949290475,-2.3466589604,0.0176260246,0.0176260246,GGA+U,C2/c,A2B2CD12E3_mC80_15_f_ae_e_6f_ef:Fe-Na-Ni-O-P,40.0,A2B2CD12E3_mC80_15_f_ae_e_6f_ef:Fe-Na-Ni-O-P +mp-1043619,FeNiP2O9,-7.1871242987,-1.8335118906,0.1867039959,0.1867039959,GGA+U,Pnma,ABC9D2_oP52_62_c_a_5c2d_2c:Fe-Ni-O-P,52.0,ABC9D2_oP52_62_c_a_5c2d_2c:Fe-Ni-O-P +mp-768933,Fe5Ni(PO4)6,-7.7588747569,-2.2219140114,0.0644962197,0.0644962197,GGA+U,R3,A5BC24D6_hR108_146_5a_a_8b_2b:Fe-Ni-O-P,36.0,"Invalid WP multiplicities - A5BC24D6_hR108_146_5a_a_20b_2b:Fe-Ni-O-P, expected Fe5Ni(PO10)6 to be Fe5Ni(PO4)6" +mp-755553,FeNi3(PO4)4,-7.3004993204,-2.0250551264,0.0901298185,0.0901298185,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Fe-Ni-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Fe-Ni-O-P +mp-17258,Fe4Ni3(PO4)6,-7.7173182089,-2.2464847227,0.0105246946,0.0105246946,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Ni-O-P,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_2i_ai_13i_3i:Fe-Ni-O-P, expected Fe4Ni3(P3O13)2 to be Fe4Ni3(PO4)6" +mp-1211749,LiMg3(WO4)3,-7.9435838262,-2.4201933924,0.1199566378,0.1199566378,GGA+U,Pnma,AB3C12D3_oP76_62_c_cd_2c5d_cd:Li-Mg-O-W,76.0,AB3C12D3_oP76_62_c_cd_2c5d_cd:Li-Mg-O-W +mp-764817,Li2Mg11(WO4)12,-8.1235920153,-2.4474338347,0.1001499728,0.1001499728,GGA+U,Pm,A2B11C48D12_mP146_6_2a2b_2a4b8c_8a8b40c_4a4b8c:Li-Mg-O-W,146.0,A2B11C48D12_mP146_6_2a2b_2a4b8c_8a8b40c_4a4b8c:Li-Mg-O-W +mp-850908,Li2Mg11(WO4)12,-8.1181962522,-2.4420380716,0.105545736,0.105545736,GGA+U,Pm,A2B11C48D12_mP73_6_ab_2ab4c_4a4b20c_2a2b4c:Li-Mg-O-W,73.0,A2B11C48D12_mP73_6_ab_2ab4c_4a4b20c_2a2b4c:Li-Mg-O-W +mp-1177113,Li5Mg11(WO4)12,-7.984531998,-2.4570804746,0.0702717197,0.0702717197,GGA+U,Pm,A5B11C48D12_mP76_6_2a3b_2ab4c_4a4b20c_2a2b4c:Li-Mg-O-W,76.0,A5B11C48D12_mP76_6_2a3b_2ab4c_4a4b20c_2a2b4c:Li-Mg-O-W +mp-1031055,LiMg6WO8,-6.6888323688,-2.6861921758,0.1190780819,0.1190780819,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Li-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Li-Mg-O-W, expected LiMg6WO12 to be LiMg6WO8" +mp-1031191,LiMg6WO8,-6.7149457869,-2.712305594,0.0929646637,0.0929646637,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Li-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Li-Mg-O-W, expected LiMg6WO12 to be LiMg6WO8" +mp-774895,Li2Mg2(WO4)3,-7.9779492263,-2.4383144338,0.0506442526,0.0506442526,GGA+U,Pc,A2B2C12D3_mP76_7_4a_4a_24a_6a:Li-Mg-O-W,76.0,"Invalid WP multiplicities - A2B2C12D3_mP76_7_6a_7a_46a_11a:Li-Mg-O-W, expected Li6Mg7W11O46 to be Li2Mg2(WO4)3" +mp-1040082,LiMg30WO32,-6.4251023414,-2.9693290077,0.0225187812,0.0225187812,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Li-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Li-Mg-O-W, expected LiMg90WO80 to be LiMg30WO32" +mp-1040095,LiMg30WO32,-6.4240481984,-2.9682748647,0.0235729242,0.0235729242,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Li-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Li-Mg-O-W, expected LiMg110WO72 to be LiMg30WO32" +mp-1035613,LiMg14WO16,-6.5161563869,-2.8780941001,0.0515611784,0.0515611784,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Li-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Li-Mg-O-W, expected LiMg18WO20 to be LiMg14WO16" +mp-1035324,LiMg14WO16,-6.5122256741,-2.8741633873,0.0554918912,0.0554918912,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Li-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Li-Mg-O-W, expected LiMg30WO32 to be LiMg14WO16" +mp-1210919,LiLa(WO4)2,-8.6972220133,-2.6693303365,0.0,-0.0134266093,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:La-Li-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:La-Li-O-W +mp-1222367,LiLa(WO4)2,-8.6263895458,-2.598497869,0.0708324675,0.0574058582,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:La-Li-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:La-Li-O-W, expected LiLa(WO6)2 to be LiLa(WO4)2" +mp-1026797,LiMg14W,-2.1745768706,0.1548589917,0.1856777397,0.1856777397,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-W, expected LiMg18W to be LiMg14W" +mp-1026795,LiMg14W,-2.1861812331,0.1432546292,0.1740733772,0.1740733772,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-W, expected LiMg26W to be LiMg14W" +mp-1021322,LiMg6W,-2.8242832156,0.234308459,0.2691951067,0.2691951067,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-W, expected LiMg12W to be LiMg6W" +mp-1099310,LiMg6W,-2.7409626775,0.3176289971,0.3525156448,0.3525156448,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-W,8.0,AB6C_oC16_38_a_2bde_a:Li-Mg-W +mp-707304,Be4Si2H2O9,-7.3842003576,-2.848086357,0.0,-0.0052000389,GGA,Cmc2_1,A4B2C9D2_oC68_36_2b_2a_3a3b_b:Be-H-O-Si,34.0,A4B2C9D2_oC68_36_2b_2a_3a3b_b:Be-H-O-Si +mp-1182605,Be(HO)2,-5.853754341,-1.7701058655000002,0.2405233265,0.2405233265,GGA,P2_1,AB2C2_mP60_4_6a_12a_12a:Be-H-O,60.0,AB2C2_mP60_4_6a_12a_12a:Be-H-O +mp-1182717,Be(HO)2,-6.0150748068,-1.9314263313,0.0792028607,0.0792028607,GGA,P2_1,AB2C2_mP60_4_6a_12a_12a:Be-H-O,60.0,AB2C2_mP60_4_6a_12a_12a:Be-H-O +mp-625823,Be(HO)2,-5.98571013,-1.9020616545,0.1085675375,0.1085675375,GGA,P2_12_12_1,AB2C2_oP20_19_a_2a_2a:Be-H-O,20.0,AB2C2_oP20_19_a_2a_2a:Be-H-O +mp-625837,Be(HO)2,-6.054325904,-1.9706774285,0.0399517635,0.0399517635,GGA,P2_12_12_1,AB2C2_oP20_19_a_2a_2a:Be-H-O,20.0,AB2C2_oP20_19_a_2a_2a:Be-H-O +mp-697136,Be(HO)2,-6.083897176,-2.0002487005,0.0103804915,0.0103804915,GGA,P2_12_12_1,AB2C2_oP20_19_a_2a_2a:Be-H-O,20.0,AB2C2_oP20_19_a_2a_2a:Be-H-O +mp-686671,CeBeSiHO5,-7.6712656544,-2.8686001376,0.2260407265,0.2260407265,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:Be-Ce-H-O-Si,36.0,"Invalid WP multiplicities - ABCD5E_mP36_14_e_e_e_9e_e:Be-Ce-H-O-Si, expected CeBeSiHO9 to be CeBeSiHO5" +mp-1255268,CeBeSiHO5,-7.8830933475,-3.0804278307,0.0142130335,0.0142130335,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:Be-Ce-H-O-Si,36.0,"Invalid WP multiplicities - ABCD5E_mP36_14_e_e_e_9e_e:Be-Ce-H-O-Si, expected CeBeSiHO9 to be CeBeSiHO5" +mp-1183685,CeBeO3,-8.082590292,-3.1800766613,0.418906897,0.418906897,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-Ce-O,5.0,ABC3_cP5_221_b_a_c:Be-Ce-O +mp-1522018,KPrAlBiO6,-6.739928799,-2.4241786061,0.1993096372,0.1993096372,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Al-Bi-K-O-Pr +mp-756937,V4FeNiO12,-8.2579398939,-2.1498261881,0.0176425976,0.0176425976,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Fe-Ni-O-V,18.0,ABC12D4_mC36_5_a_b_6c_2c:Fe-Ni-O-V +mp-1216443,V6FeNi,-8.7648094,-0.1706101113,0.0,-0.0069261987,GGA,Pm-3,ABC6_cP8_200_a_b_f:Fe-Ni-V,8.0,ABC6_cP8_200_a_b_f:Fe-Ni-V +mp-2230341,MgV4FeNiO12,-7.9686258826,-2.0977665797,0.2146336952,0.2146336952,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Fe-Mg-Ni-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Fe-Mg-Ni-O-V +mp-2230955,MgV4FeNiO12,-8.0494608179,-2.178601515,0.13379876,0.13379876,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Fe-Mg-Ni-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Fe-Mg-Ni-O-V +mp-2231114,MgV4FeNiO12,-8.0961423026,-2.2252829997,0.0871172752,0.0871172752,GGA+U,C2,ABCD12E4_mC38_5_a_a_b_6c_2c:Fe-Mg-Ni-O-V,19.0,"Invalid WP multiplicities - ABCD12E4_mC38_5_a_a_b_12c_4c:Fe-Mg-Ni-O-V, expected MgV8FeNiO24 to be MgV4FeNiO12" +mp-1520082,EuDyV4O12,-8.7852090589,-2.6430047558,0.198526755,0.198526755,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Dy-Eu-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Dy-Eu-O-V, expected EuDyV4O16 to be EuDyV4O12" +mp-1520954,CaEuDyVO6,-8.658294858,-3.0949521723,0.199067967,0.199067967,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Eu-O-V,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Eu-O-V +mp-1246274,NaCuN,-4.4189070133,0.1671686161,0.3323155952,0.3323155952,GGA,Amm2,ABC_oC6_38_a_a_b:Cu-N-Na,3.0,ABC_oC6_38_a_a_b:Cu-N-Na +mp-1245590,NaCuN,-4.4443889683,0.1416866611,0.3068336402,0.3068336402,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-N-Na,12.0,ABC_oP12_62_c_c_c:Cu-N-Na +mp-1245601,NaCuN,-4.4086862817,0.1773893478,0.3425363269,0.3425363269,GGA,P6_3mc,ABC_hP6_186_a_b_b:Cu-N-Na,6.0,ABC_hP6_186_a_b_b:Cu-N-Na +mp-1180458,Na2FeCu(CN)6,-7.3972885756,0.1405389851,0.4163549059,0.4163549059,GGA,P2/m,A6BCD6E2_mP16_10_mo_b_c_mo_eh:C-Cu-Fe-N-Na,16.0,A6BCD6E2_mP16_10_mo_b_c_mo_eh:C-Cu-Fe-N-Na +mp-21259,Na2FeCu(CN)6,-7.4945888556,0.0432387051,0.3190546259,0.3190546259,GGA,Fm-3m,A6BCD6E2_cF64_225_e_a_b_e_c:C-Cu-Fe-N-Na,16.0,A6BCD6E2_cF64_225_e_a_b_e_c:C-Cu-Fe-N-Na +mp-1245426,Na3FeN2,-4.6794950454,0.1722694446,0.35972188,0.35972188,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Fe-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Fe-N-Na +mp-1246338,NaFeN,-6.069712495,-0.0266986855,0.1830592061,0.1830592061,GGA,Cmmm,ABC_oC12_65_h_g_i:Fe-N-Na,6.0,ABC_oC12_65_h_g_i:Fe-N-Na +mp-1245896,NaFeN,-6.2426232767,-0.1996094672,0.0101484245,0.0101484245,GGA,P6_3mc,ABC_hP6_186_a_b_b:Fe-N-Na,6.0,ABC_hP6_186_a_b_b:Fe-N-Na +mp-2241254,MgCo4NiO8,-6.7764707736,-1.391670945,0.1668701896,0.1668701896,GGA+U,P-1,A4BCD8_aP14_2_abcd_g_e_4i:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_aP14_2_abcd_g_e_7i:Co-Mg-Ni-O, expected MgCo4NiO14 to be MgCo4NiO8" +mp-2228471,MgCo4NiO8,-6.6942049407,-1.3094051121,0.2491360225,0.2491360225,GGA+U,C2/m,A4BCD8_mC28_12_ade_b_c_2ij:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_aP14_2_abce_d_g_7i:Co-Mg-Ni-O, expected MgCo4NiO14 to be MgCo4NiO8" +mp-2230265,MgCo4(NiO6)2,-6.4855280211,-1.1721549092,0.109836028,0.109836028,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Ni-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Ni-O +mp-2230302,MgCo4(NiO6)2,-6.4917635679,-1.1783904561,0.1036004812,0.1036004812,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Ni-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Ni-O +mp-1032269,Mg6CoNiO8,-6.4103007613,-2.5313229822,0.0776448105,0.0776448105,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Co-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Co-Mg-Ni-O, expected Mg6CoNiO12 to be Mg6CoNiO8" +mp-1032272,Mg6CoNiO8,-6.4078177287,-2.5288399497,0.080127843,0.080127843,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Co-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Co-Mg-Ni-O, expected Mg6CoNiO12 to be Mg6CoNiO8" +mp-1047887,MgCo3P3O13,-7.3324382335,-2.1588335234,0.08167776,0.08167776,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Co-Mg-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Co-Mg-O-P, expected MgCo5P3O34 to be MgCo3P3O13" +mp-1335345,MgCoNi2O7,-5.7449762542,-0.754458783,0.5566758373,0.5566758373,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Co-Mg-Ni-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_2e_3e_7e_17e:Co-Mg-Ni-O, expected Mg3Co2Ni7O17 to be MgCoNi2O7" +mp-1045773,MgCo(PO3)4,-7.6098864006,-2.6253268224,0.0,-0.0196405052,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Co-Mg-O-P,36.0,ABC12D4_mC72_15_c_e_6f_2f:Co-Mg-O-P +mp-2231488,MgCo5NiO12,-6.6084979642,-1.2252205832,0.0977023245,0.0977023245,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O +mp-2230565,MgCo5NiO12,-6.5980434768,-1.2147660958,0.1081568119,0.1081568119,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O +mp-2231148,MgCo5NiO12,-6.6098541326,-1.2265767516,0.0963461561,0.0963461561,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Ni-O +mp-2230392,MgCo5NiO12,-6.6117254021,-1.2284480211,0.0944748866,0.0944748866,GGA+U,Cm,A5BCD12_mC38_8_a2b_a_a_4a4b:Co-Mg-Ni-O,19.0,"Invalid WP multiplicities - A5BCD12_mC38_8_a3b_a_a_4a7b:Co-Mg-Ni-O, expected MgCo7NiO18 to be MgCo5NiO12" +mp-1046496,SrCaFe(PO4)2,-7.7883816231,-2.975671681,0.0101412156,0.0101412156,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Fe-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Fe-O-P-Sr, expected SrCaFe(PO7)2 to be SrCaFe(PO4)2" +mp-1379859,SrCaFe(PO4)2,-4.5656246904,0.2470852517,3.2328981482,3.2328981482,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Fe-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Fe-O-P-Sr, expected SrCaFe(PO7)2 to be SrCaFe(PO4)2" +mp-867746,CrCu(PO4)2,-7.5552311067,-2.2092003697,0.3304094416,0.3304094416,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cr-Cu-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Cr-Cu-O-P, expected CrCu(PO5)3 to be CrCu(PO4)2" +mp-17570,Cr4Cu3(PO4)6,-7.7873324516,-2.324895857,0.4231662951,0.4231662951,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Cr-Cu-O-P,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_4i_ai_14i_3i:Cr-Cu-O-P, expected Cr8Cu3(P3O14)2 to be Cr4Cu3(PO4)6" +mp-775994,Ti3CrCu2(PO4)6,-8.0605791728,-2.7067380347,0.1435162418,0.1435162418,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Cu-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Cr-Cu-O-P-Ti, expected Ti3CrCu2(PO11)6 to be Ti3CrCu2(PO4)6" +mp-1101335,Ti3Cr2Cu(PO4)6,-8.23182452,-2.7237100264,0.2959252931,0.2959252931,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Cu-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Cr-Cu-O-P-Ti, expected Ti3Cr2Cu(P3O22)3 to be Ti3Cr2Cu(PO4)6" +mp-756462,CrCu3(PO4)4,-7.1278813979,-2.0132606943,0.2060633249,0.2060633249,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Cu-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Cu-O-P +mp-756357,Cr3Cu(PO4)4,-7.9476771025,-2.3702363322,0.3906927099,0.3906927099,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Cu-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Cu-O-P +mp-1194161,Cr2Cu5(P2O9)2,-7.227795781,-2.0382876735,0.3170654605,0.3170654605,GGA+U,C2/m,A2B5C18D4_mC58_12_i_aj_5i2j_2i:Cr-Cu-O-P,29.0,A2B5C18D4_mC58_12_i_aj_5i2j_2i:Cr-Cu-O-P +mp-1213888,Cr5Cu2(PO4)6,-8.0349575986,-2.4224171986,0.4230455868,0.4230455868,GGA+U,P-1,A5B2C24D6_aP37_2_a2i_i_12i_3i:Cr-Cu-O-P,37.0,A5B2C24D6_aP37_2_a2i_i_12i_3i:Cr-Cu-O-P +mp-775183,Li4V3Cu3(TeO8)2,-6.6152601061,-1.8788793613,0.0617273501,0.0617273501,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Te-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Te-V +mp-1043130,CaFeNiP2O9,-7.544517905,-2.430049249,0.0295127549,0.0295127549,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Fe-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Fe-Ni-O-P +mp-743601,CaFeSn(PO4)3,-7.65718679,-2.65244429,0.0,-0.008387095,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Fe-O-P-Sn, expected CaFeSn(PO18)3 to be CaFeSn(PO4)3" +mp-677195,Nd10Si10BrN17O9,-8.4018993017,-2.2374674915,0.0,-0.0019800389,GGA,P1,AB17C10D9E10_aP94_1_2a_34a_20a_18a_20a:Br-N-Nd-O-Si,94.0,AB17C10D9E10_aP94_1_2a_34a_20a_18a_20a:Br-N-Nd-O-Si +mp-543047,KNaCu(Si2O5)2,-7.3731847468,-2.8025794442,0.0074106892,0.0074106892,GGA,P-1,ABCD10E4_aP34_2_i_i_i_10i_4i:Cu-K-Na-O-Si,34.0,ABCD10E4_aP34_2_i_i_i_10i_4i:Cu-K-Na-O-Si +mp-545359,KNa2CuO2,-4.3032836383,-1.3452780339,0.0,-0.005076029,GGA,I4mm,ABC2D2_tI12_107_a_a_b_2a:Cu-K-Na-O,6.0,ABC2D2_tI12_107_a_a_b_2a:Cu-K-Na-O +mp-1221347,Na2NbO3F5,-5.6899811477,-2.3132705479,0.3052288042,0.3052288042,GGA,Pca2_1,A5B2CD3_oP44_29_5a_2a_a_3a:F-Na-Nb-O,44.0,"Invalid WP multiplicities - A5B2CD3_oP44_29_6a_2a_a_4a:F-Na-Nb-O, expected Na2Nb(O2F3)2 to be Na2NbO3F5" +mp-1221370,Na2NbO4F5,-5.4164836258,-1.9089415167,0.491349556,0.491349556,GGA,Aea2,A5B2CD4_oC48_41_a2b_b_a_2b:F-Na-Nb-O,24.0,A5B2CD4_oC48_41_a2b_b_a_2b:F-Na-Nb-O +mp-555305,NaNb(OF)2,-7.3458022938,-3.1557746786,0.0,-0.0262403998,GGA,P2_1/c,A2BCD2_mP24_14_2e_e_e_2e:F-Na-Nb-O,24.0,"Invalid WP multiplicities - A2BCD2_mP24_14_5e_e_e_4e:F-Na-Nb-O, expected NaNbO4F5 to be NaNb(OF)2" +mp-8084,NaNb6O15F,-8.9763808922,-2.9745476239,0.0787189017,0.0787189017,GGA,Amm2,ABC6D15_oC46_38_a_a_2b2e_a2b2d4e:F-Na-Nb-O,23.0,"Invalid WP multiplicities - ABC6D15_oC46_38_a_a_2b3e_a2b3d5e:F-Na-Nb-O, expected NaNb8O19F to be NaNb6O15F" +mp-1213599,CsNaNbOF5,-6.249543545,-3.2691750723,0.0,-0.049305766,GGA,Pbcn,AB5CDE_oP72_60_2c_5d_d_d_d:Cs-F-Na-Nb-O,72.0,AB5CDE_oP72_60_2c_5d_d_d_d:Cs-F-Na-Nb-O +mp-561259,Na3NbOF6,-5.9503118609,-3.1789988212,0.0,-0.0669987222,GGA,P2_12_12_1,A6B3CD_oP44_19_6a_3a_a_a:F-Na-Nb-O,44.0,"Invalid WP multiplicities - A6B3CD_oP44_19_24a_11a_a_a:F-Na-Nb-O, expected Na11NbOF24 to be Na3NbOF6" +mp-557590,NaNbO2F,-7.386033028,-2.7402956833000003,0.1794825037,0.1794825037,GGA,Pnma,ABCD2_oP20_62_c_c_a_d:F-Na-Nb-O,20.0,ABCD2_oP20_62_c_c_a_d:F-Na-Nb-O +mp-1522465,KTbEuNbO6,-8.6518196875,-3.0734992721,0.1474218169,0.1474218169,GGA,P4_2/mmc,ABCD6E_tP20_131_e_f_c_iq_d:Eu-K-Nb-O-Tb,20.0,ABCD6E_tP20_131_e_f_c_iq_d:Eu-K-Nb-O-Tb +mp-1522254,KTbEuNbO6,-8.62017654,-3.0418561246,0.1790649644,0.1790649644,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Nb-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Nb-O-Tb +mp-1520823,Sr2YNbO6,-8.361033936,-3.3983444033,0.0592691799,0.0592691799,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-Y +mp-1521037,SrEuYNbO6,-9.190690754,-3.3712503866,0.0891356095,0.0891356095,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-Y +mp-1516612,KCaTbBiO6,-6.4625103833,-2.3354117508,0.1161767419,0.1161767419,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Bi-Ca-K-O-Tb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_2c2d_6m_f:Bi-Ca-K-O-Tb, expected K2CaTbBiO12 to be KCaTbBiO6" +mp-1516532,KCaTbBiO6,-6.410662055,-2.2835634226,0.1680250702,0.1680250702,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Tb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Tb +mp-553883,Ba3WCl2O5,-7.19455206,-2.9085909758,0.0,-0.0114136134,GGA+U,Cmcm,A3B2C5D_oC44_63_cf_ac_ch_c:Ba-Cl-O-W,22.0,"Invalid WP multiplicities - A3B2C5D_oC44_63_2c2f_a2c_2c3h_c:Ba-Cl-O-W, expected Ba6WCl3O14 to be Ba3WCl2O5" +mp-1228911,Ba10Ru3W(Cl2O9)2,-6.9386165669,-2.5940157144,0.0513347556,0.0513347556,GGA+U,P3m1,A10B4C18D3E_hP36_156_5a5b_2a2b_6d_3c_c:Ba-Cl-O-Ru-W,36.0,A10B4C18D3E_hP36_156_5a5b_2a2b_6d_3c_c:Ba-Cl-O-Ru-W +mp-1246490,RbFeN,-6.0453691717,-0.1163524358,0.0934054558,0.0934054558,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-N-Rb,12.0,ABC_oP12_62_c_c_c:Fe-N-Rb +mp-505286,Rb2NaFe(CN)6,-7.5675781484,-0.2460420763,0.1197908841,0.1197908841,GGA,P2_1/c,A6BC6DE2_mP32_14_3e_a_3e_d_e:C-Fe-N-Na-Rb,32.0,A6BC6DE2_mP32_14_3e_a_3e_b_e:C-Fe-N-Na-Rb +mp-1192701,TaH6C2SeCl5,-5.1045976487,-0.8772603378,0.0,-0.0076598741,GGA,Cmc2_1,A2B5C6DE_oC60_36_b_3ab_3b_a_a:C-Cl-H-Se-Ta,30.0,A2B5C6DE_oC60_36_b_3ab_3b_a_a:C-Cl-H-Se-Ta +mp-553923,K2AgSbS4,-4.1008121894,-0.8847928638,0.0133537132,0.0133537132,GGA,Pnn2,AB2C4D_oP32_34_ab_abc_4c_c:Ag-K-S-Sb,32.0,"Invalid WP multiplicities - AB2C4D_oP32_34_2ab_ab3c_11c_c:Ag-K-S-Sb, expected K8Ag3(SbS11)2 to be K2AgSbS4" +mp-2223708,K3MgSbS4,-4.0081996456,-1.1630576902,0.1407352264,0.1407352264,GGA,Fmm2,A3BC4D_oF36_42_ab_a_cd_a:K-Mg-S-Sb,9.0,A3BC4D_oF36_42_ab_a_cd_a:K-Mg-S-Sb +mp-2224173,K3MgSbS4,-3.9544047511,-1.1092627957,0.1945301208,0.1945301208,GGA,I-4,A3BC4D_tI18_82_af_c_g_b:K-Mg-S-Sb,9.0,"Invalid WP multiplicities - A3BC4D_tI18_82_a2f_c_g_b:K-Mg-S-Sb, expected K5MgSbS4 to be K3MgSbS4" +mp-2217404,K3MgSbS4,-4.0287606711,-1.1836187157,0.1201742008,0.1201742008,GGA,R3m,A3BC4D_hR27_160_b_a_ab_a:K-Mg-S-Sb,9.0,A3BC4D_hR27_160_b_a_ab_a:K-Mg-S-Sb +mp-1021297,KMg6Sb,-1.8193554094,0.0357796515,0.290213103,0.290213103,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Sb, expected KMg12Sb to be KMg6Sb" +mp-1099305,KMg6Sb,-1.8056060325,0.0495290284,0.3039624799,0.3039624799,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Sb,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Sb +mp-7089,KMgSb,-2.9298083367,-0.6499149243,0.0,-0.2014981626,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Mg-Sb,6.0,ABC_tP6_129_c_a_c:K-Mg-Sb +mp-1192667,KAg2SbS3,-3.9895990475,-0.6590473626000001,0.0078094381,0.0078094381,GGA,P-1,A2BC3D_aP28_2_4i_2i_6i_2i:Ag-K-S-Sb,28.0,A2BC3D_aP28_2_4i_2i_6i_2i:Ag-K-S-Sb +mp-2229054,K6Mg(SbS4)2,-4.0584327412,-1.1400636149,0.0855961057,0.0855961057,GGA,P1,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-S-Sb,17.0,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-S-Sb +mp-2229253,K6Mg(SbS4)2,-4.03607716,-1.1177080337,0.1079516869,0.1079516869,GGA,Cm,A6BC8D2_mC34_8_2a2b_a_4a2b_2a:K-Mg-S-Sb,17.0,"Invalid WP multiplicities - A6BC8D2_mC34_8_2a4b_a_4a4b_2a:K-Mg-S-Sb, expected K10Mg(SbS6)2 to be K6Mg(SbS4)2" +mp-2229123,K6Mg(SbS4)2,-3.9700329059,-1.0516637796,0.173995941,0.173995941,GGA,Cm,A6BC8D2_mC34_8_2a2b_a_4a2b_2a:K-Mg-S-Sb,17.0,"Invalid WP multiplicities - A6BC8D2_mC34_8_2a4b_a_4a4b_2a:K-Mg-S-Sb, expected K10Mg(SbS6)2 to be K6Mg(SbS4)2" +mp-1224211,K3Ag9(SbS3)4,-3.973889945,-0.5818326509,0.0066269809,0.0066269809,GGA,I-4,A9B3C12D4_tI56_82_c2g_ae_3g_g:Ag-K-S-Sb,28.0,"Invalid WP multiplicities - A9B3C12D4_tI56_82_c3g_ae_4g_g:Ag-K-S-Sb, expected K3Ag13(SbS4)4 to be K3Ag9(SbS3)4" +mp-9490,KAg2SbS4,-4.0606954325,-0.6294064749,0.0059422756,0.0059422756,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Ag-K-S-Sb,8.0,A2BC4D_tI16_121_d_a_i_b:Ag-K-S-Sb +mp-2240119,KMgAg2SbS4,-3.9673857722,-0.7395422488000001,0.1519137699,0.1519137699,GGA,P1,A2BCD4E_aP9_1_2a_a_a_4a_a:Ag-K-Mg-S-Sb,9.0,A2BCD4E_aP9_1_2a_a_a_4a_a:Ag-K-Mg-S-Sb +mp-2239978,KMgAg2SbS4,-3.9859833489,-0.7581398254,0.1333161932,0.1333161932,GGA,C2,A2BCD4E_mC18_5_c_a_a_2c_b:Ag-K-Mg-S-Sb,9.0,A2BCD4E_mC18_5_c_a_a_2c_b:Ag-K-Mg-S-Sb +mp-2222914,KMgAg2SbS4,-4.0243815589,-0.7965380354,0.0949179832,0.0949179832,GGA,Cm,A2BCD4E_mC18_8_b_a_a_2ab_a:Ag-K-Mg-S-Sb,9.0,A2BCD4E_mC18_8_b_a_a_2ab_a:Ag-K-Mg-S-Sb +mp-1026848,KMg14Sb,-1.7067123388,0.0209952167,0.1567842264,0.1567842264,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Sb, expected KMg18Sb to be KMg14Sb" +mp-1026834,KMg14Sb,-1.6644030031,0.0633045523,0.199093562,0.199093562,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Sb, expected KMg26Sb to be KMg14Sb" +mp-1223709,K2Ag3Sb3S7,-4.1514489677,-0.6807410549,0.0124128423,0.0124128423,GGA,Cmc2_1,A3B2C7D3_oC60_36_ab_b_a3b_ab:Ag-K-S-Sb,30.0,A3B2C7D3_oC60_36_ab_b_a3b_ab:Ag-K-S-Sb +mp-20808,Nd3PbC,-3.882244376,1.566906596,1.909572291,1.909572291,GGA,Pm-3m,AB3C_cP5_221_a_c_b:C-Nd-Pb,5.0,AB3C_cP5_221_a_c_b:C-Nd-Pb +mp-1200299,NdCuPbC3O11,-7.3807810954,-1.8113944205,0.05892468,0.05892468,GGA,Pna2_1,A3BCD11E_oP68_33_3a_a_a_11a_a:C-Cu-Nd-O-Pb,68.0,A3BCD11E_oP68_33_3a_a_a_11a_a:C-Cu-Nd-O-Pb +mp-1179399,U2Cu5Pb2(SeO5)6,-6.3170070951,-1.4307787015,0.1552519307,0.1552519307,GGA,P-1,A5B30C2D6E2_aP45_2_a2i_15i_i_3i_i:Cu-O-Pb-Se-U,45.0,A5B30C2D6E2_aP45_2_a2i_15i_i_3i_i:Cu-O-Pb-Se-U +mp-680219,UPb(SeO4)2,-7.2665932462,-2.1358107691,0.0,-0.0222594023,GGA,Pmc2_1,A8BC2D_oP48_26_ab7c_ab_abc_c:O-Pb-Se-U,48.0,"Invalid WP multiplicities - A8BC2D_oP48_26_2a2b24c_2ab_ab2c_c:O-Pb-Se-U, expected U2Pb3(Se3O26)2 to be UPb(SeO4)2" +mp-1199963,UCu4(SeO7)2,-6.3323146095,-1.3830907237,0.0816574705,0.0816574705,GGA,Pmn2_1,A4B14C2D_oP42_31_2ab_6a4b_2a_a:Cu-O-Se-U,42.0,A4B14C2D_oP42_31_2ab_6a4b_2a_a:Cu-O-Se-U +mp-616821,U2PbSe5,-6.7464037719,-1.2745257121,0.0134144814,0.0134144814,GGA,P2_1/c,AB5C2_mP32_14_e_5e_2e:Pb-Se-U,32.0,"Invalid WP multiplicities - AB5C2_mP32_14_e_17e_4e:Pb-Se-U, expected U4PbSe17 to be U2PbSe5" +mp-1197552,U2PbSe5,-6.6352743316,-1.1633962718,0.1245439217,0.1245439217,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Pb-Se-U,32.0,AB5C2_oP32_62_c_3cd_d:Pb-Se-U +mp-1523021,BaCaEuWO6,-8.6196416313,-2.9376577195,0.0626149343,0.0626149343,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-Ca-Eu-O-W,,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-Ca-Eu-O-W, expected BaCa2EuWO12 to be BaCaEuWO6" +mp-1522876,BaCaEuWO6,-8.6071366065,-2.9251526948,0.0751199591,0.0751199591,GGA+U,P-4n2,ABCD6E_tP20_118_c_d_a_ei_b:Ba-Ca-Eu-O-W,20.0,ABCD6E_tP20_118_c_d_a_ei_b:Ba-Ca-Eu-O-W +mp-1522833,BaCaEuWO6,-8.530795637,-2.8488117253,0.1514609286,0.1514609286,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Eu-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Eu-O-W +mp-1521024,BaCaEuWO6,-8.652273082,-2.9702891703,0.0299834836,0.0299834836,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ca-Eu-O-W +mp-1106130,NaCoSeO6F,-5.4206616115,-1.0688250314,0.2703071239,0.2703071239,GGA+U,P2_1/m,ABCD6E_mP20_11_a_e_e_2e2f_e:Co-F-Na-O-Se,20.0,ABCD6E_mP20_11_a_e_e_2e2f_e:Co-F-Na-O-Se +mp-1210198,NaCo2Se2O7,-6.1605518633,-1.3974014619,0.0446614147,0.0446614147,GGA+U,Pnma,A2BC7D2_oP48_62_ac_c_3c2d_2c:Co-Na-O-Se,48.0,A2BC7D2_oP48_62_ac_c_3c2d_2c:Co-Na-O-Se +mp-23104,Pb2ClOF,-5.156491447,-1.9300917513,0.0,-0.024782026,GGA,Cmme,ABCD2_oC20_67_g_a_b_m:Cl-F-O-Pb,10.0,ABCD2_oC20_67_g_a_b_m:Cl-F-O-Pb +mp-560923,AgPb4ClO4,-5.2722073615,-1.3403637827,0.0113016183,0.0113016183,GGA,P4/n,ABC4D4_tP20_85_c_c_g_g:Ag-Cl-O-Pb,20.0,ABC4D4_tP20_85_c_c_g_g:Ag-Cl-O-Pb +mp-1206101,AgPbF6,-4.1836890912,-1.9319294815,0.0,-0.0174805031,GGA,P-1,AB6C_aP8_2_b_3i_d:Ag-F-Pb,8.0,AB6C_aP8_2_b_3i_d:Ag-F-Pb +mp-1229269,AgPb2Cl3OF,-4.2053407297,-1.3726372544,0.1515348059,0.1515348059,GGA,I4_1md,AB3CDE2_tI64_109_b_2ac_b_b_2b:Ag-Cl-F-O-Pb,32.0,"Invalid WP multiplicities - AB3CDE2_tI64_109_b_4a2c_b_b_3b:Ag-Cl-F-O-Pb, expected AgPb3Cl6OF to be AgPb2Cl3OF" +mp-667327,Ag2Pb8Cl4O7,-5.0683121523,-1.3832047149,0.0044625292,0.0044625292,GGA,P2_1/c,A2B4C7D8_mP84_14_2e_4e_7e_8e:Ag-Cl-O-Pb,84.0,"Invalid WP multiplicities - A2B4C7D8_mP84_14_5e_13e_27e_29e:Ag-Cl-O-Pb, expected Ag5Pb29Cl13O27 to be Ag2Pb8Cl4O7" +mp-1189937,Pb3Cl4O2F,-4.065490428,-1.031796004,0.5392105027,0.5392105027,GGA,P-1,A4BC2D3_aP20_2_4i_i_2i_3i:Cl-F-O-Pb,20.0,A4BC2D3_aP20_2_4i_i_2i_3i:Cl-F-O-Pb +mp-1179916,Pb3Cl4O2F,-4.0682809945,-1.0345865705,0.5364199362000001,0.5364199362000001,GGA,P2_1/c,A4BC2D3_mP40_14_4e_e_2e_3e:Cl-F-O-Pb,40.0,A4BC2D3_mP40_14_4e_e_2e_3e:Cl-F-O-Pb +mp-1192298,MnMoH2SeO7,-7.0668419588,-1.6571877964,0.0003115379,0.0003115379,GGA+U,P-1,A2BCD7E_aP24_2_2i_be_i_7i_i:H-Mn-Mo-O-Se,24.0,A2BCD7E_aP24_2_2i_be_i_7i_i:H-Mn-Mo-O-Se +mp-1222086,MnMoH2SeO7,-7.0464487104,-1.636794548,0.0207047862,0.0207047862,GGA+U,P2_1,A2BCD7E_mP48_4_4a_2a_2a_14a_2a:H-Mn-Mo-O-Se,48.0,"Invalid WP multiplicities - A2BCD7E_mP48_4_6a_2a_4a_22a_2a:H-Mn-Mo-O-Se, expected MnMo2H3SeO11 to be MnMoH2SeO7" +mp-1105059,Mn(Mo3Se4)2,-7.517375193999999,-0.7038280091,0.0863480508,0.0863480508,GGA,R-3,AB6C8_hR45_148_a_f_cf:Mn-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_c2f:Mn-Mo-Se, expected Mn(Mo3Se7)2 to be Mn(Mo3Se4)2" +mp-1046351,Ba2YTlFe2O7,-7.2506131746,-2.3095418255,0.156537236,0.156537236,GGA+U,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Fe-O-Tl-Y,13.0,"Invalid WP multiplicities - A2B2C7DE_tP13_123_g_h_a2h2i_c_b:Ba-Fe-O-Tl-Y, expected Ba2YTlFe2O13 to be Ba2YTlFe2O7" +mp-696066,Ba2Zn(HO)6,-4.8047573563,-1.1291452212,0.7442031782,0.7442031782,GGA,P2_1/c,A2B6C6D_mP30_14_e_3e_3e_a:Ba-H-O-Zn,30.0,A2B6C6D_mP30_14_e_3e_3e_a:Ba-H-O-Zn +mp-1182663,Ba2Zn(HO)6,-4.88544142,-1.2098292848,0.6635191145,0.6635191145,GGA,P2_1/c,A2B6C6D_mP30_14_e_3e_3e_a:Ba-H-O-Zn,30.0,A2B6C6D_mP30_14_e_3e_3e_a:Ba-H-O-Zn +mp-707945,BaZn2H16O11,-4.7198965242,-0.948708034,0.5365538248,0.5365538248,GGA,P2_1/c,AB16C11D2_mP120_14_e_16e_11e_2e:Ba-H-O-Zn,120.0,AB16C11D2_mP120_14_e_16e_11e_2e:Ba-H-O-Zn +mp-1205469,BaZn2H16O11,-5.2440369513,-1.4728484612,0.0124133976,0.0124133976,GGA,P2_1/c,AB16C11D2_mP120_14_e_16e_11e_2e:Ba-H-O-Zn,120.0,AB16C11D2_mP120_14_e_16e_11e_2e:Ba-H-O-Zn +mp-758313,BaZn2As3HO11,-6.1845342925,-1.9499721123,0.0105992028,0.0105992028,GGA,P2_1/c,A3BCD11E2_mP72_14_3e_e_e_11e_2e:As-Ba-H-O-Zn,72.0,"Invalid WP multiplicities - A3BCD11E2_mP72_14_5e_e_e_35e_3e:As-Ba-H-O-Zn, expected BaZn3As5HO35 to be BaZn2As3HO11" +mp-1233168,CaLa4Ni3WO12,-7.7114322967,-2.4062688155,0.5010337021,0.5010337021,GGA+U,P2/m,AB4C3D12E_mP21_10_a_il_cde_jk2m2n_f:Ca-La-Ni-O-W,21.0,"Invalid WP multiplicities - AB4C3D12E_mP21_10_d_2j2l_abc_2i2k4m4n_f:Ca-La-Ni-O-W, expected CaLa8Ni3WO24 to be CaLa4Ni3WO12" +mp-1233143,CaLa4Ni3WO12,-7.6686413048,-2.3634778236,0.543824694,0.543824694,GGA+U,Pmmm,AB4C3D12E_oP21_47_a_il_cdf_jkuv_e:Ca-La-Ni-O-W,21.0,"Invalid WP multiplicities - AB4C3D12E_oP21_47_a_2i2l_cdf_2j2k4u4v_e:Ca-La-Ni-O-W, expected CaLa8Ni3WO40 to be CaLa4Ni3WO12" +mp-676483,NaLiZnP2O7,-6.7504053042,-2.588353824,0.0,-0.0018147898,GGA,C222_1,ABC7D2E_oC48_20_a_b_b3c_c_a:Li-Na-O-P-Zn,24.0,"Invalid WP multiplicities - ABC7D2E_oC48_20_a_b_2b11c_c_a:Li-Na-O-P-Zn, expected NaLiZn(PO12)2 to be NaLiZnP2O7" +mp-1200615,Li4Zn(PO4)2,-6.609757813,-2.656721161,0.0007994177,0.0007994177,GGA,P2_1,A4B8C2D_mP60_4_8a_16a_4a_2a:Li-O-P-Zn,60.0,A4B8C2D_mP60_4_8a_16a_4a_2a:Li-O-P-Zn +mp-557756,Li4Zn(PO4)2,-6.6104340078,-2.6573973558,0.0001232228,0.0001232228,GGA,P2_1/c,A4B8C2D_mP60_14_4e_8e_2e_e:Li-O-P-Zn,60.0,"Invalid WP multiplicities - A4B8C2D_mP60_14_12e_29e_5e_e:Li-O-P-Zn, expected Li12ZnP5O29 to be Li4Zn(PO4)2" +mp-652479,LiZnPO4,-6.5989666303,-2.5462917976,0.0008137776,-0.0203556061,GGA,Cc,AB4CD_mC224_9_8a_32a_8a_8a:Li-O-P-Zn,112.0,"Invalid WP multiplicities - AB4CD_mC224_9_15a_64a_16a_16a:Li-O-P-Zn, expected Li15Zn16(PO4)16 to be LiZnPO4" +mp-555743,LiZnPO4,-6.5994630666,-2.546788234,0.0003173413,-0.0208520424,GGA,Cc,AB4CD_mC224_9_8a_32a_8a_8a:Li-O-P-Zn,112.0,"Invalid WP multiplicities - AB4CD_mC224_9_13a_63a_15a_15a:Li-O-P-Zn, expected Li13Zn15(P5O21)3 to be LiZnPO4" +mp-559934,LiZnPO4,-6.5997804079,-2.5471055752,0.0,-0.0211693837,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Li-O-P-Zn,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_15a_a_a:Li-O-P-Zn, expected LiZnPO15 to be LiZnPO4" +mp-17056,LiZnPO4,-6.5968109267,-2.544136094,0.0029694812,-0.0181999025,GGA,R3,AB4CD_hR126_146_2b_8b_2b_2b:Li-O-P-Zn,42.0,"Invalid WP multiplicities - AB4CD_hR126_146_3b_10b_2b_2b:Li-O-P-Zn, expected Li3Zn2(PO5)2 to be LiZnPO4" +mp-683791,Mn2InC10ClO10,-7.6918118265,-0.8302371176000001,0.5681448196000001,0.5681448196000001,GGA+U,P-1,A10BCD2E10_aP48_2_10i_i_i_2i_10i:C-Cl-In-Mn-O,48.0,"Invalid WP multiplicities - A10BCD2E10_aP48_2_18i_i_i_4i_19i:C-Cl-In-Mn-O, expected Mn4InC18ClO19 to be Mn2InC10ClO10" +mp-1036490,CaMg14SnO16,-6.1956628441,-2.8342218498,0.153804453,0.153804453,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Sn, expected CaMg18SnO20 to be CaMg14SnO16" +mp-1036389,CaMg14SnO16,-6.2090743178,-2.8476333236,0.1403929793,0.1403929793,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Sn, expected CaMg30SnO32 to be CaMg14SnO16" +mp-1023255,CaMg6Sn,-2.0249493625,-0.0728428581,0.1489309434,0.1489309434,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Sn, expected CaMg12Sn to be CaMg6Sn" +mp-1023265,CaMg6Sn,-2.0347308887,-0.0826243844,0.1391494172,0.1391494172,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Sn, expected CaMg12Sn to be CaMg6Sn" +mp-1214009,Ca4MgSn3,-3.308691515,-0.6022671231,0.0148058611,0.0148058611,GGA,I4/mcm,A4BC3_tI32_140_k_b_ah:Ca-Mg-Sn,16.0,A4BC3_tI32_140_k_b_ah:Ca-Mg-Sn +mp-4864,CaMgSn,-3.091434965,-0.5529510367,0.0,-0.1023620033,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Mg-Sn,12.0,ABC_oP12_62_c_c_c:Ca-Mg-Sn +mp-962068,CaMgSn,-2.8354141,-0.2969301717,0.256020865,0.1536588617,GGA,F-43m,ABC_cF12_216_a_c_b:Ca-Mg-Sn,3.0,ABC_cF12_216_a_c_b:Ca-Mg-Sn +mp-1028176,CaMg14Sn,-1.8193721981,-0.0431789209,0.0792417101,0.0792417101,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Sn, expected CaMg18Sn to be CaMg14Sn" +mp-1028172,CaMg14Sn,-1.7938091375,-0.0176158603,0.1048047707,0.1048047707,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Sn, expected CaMg26Sn to be CaMg14Sn" +mp-1037834,CaMg30SnO32,-6.2707464411,-2.9532837537,0.0677495475,0.0677495475,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Sn, expected CaMg110SnO72 to be CaMg30SnO32" +mp-1038118,CaMg30SnO32,-6.2643159286,-2.9468532412,0.07418006,0.07418006,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Sn, expected CaMg90SnO80 to be CaMg30SnO32" +mp-1032956,CaMg6SnO8,-6.0826088256,-2.6332112178,0.2888010886,0.2888010886,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Sn, expected CaMg6SnO12 to be CaMg6SnO8" +mp-1032994,CaMg6SnO8,-6.1341098144,-2.6847122066,0.2373000998,0.2373000998,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Sn, expected CaMg6SnO12 to be CaMg6SnO8" +mp-1227563,Ca16Mg3Sn13,-3.3848665966,-0.6031518358,0.0216806887,0.0216806887,GGA,Amm2,A16B3C13_oC64_38_4f_a2b_a2cdef:Ca-Mg-Sn,32.0,"Invalid WP multiplicities - A16B3C13_oC64_38_16f_a2b_a4c2d2ef:Ca-Mg-Sn, expected Ca64(MgSn7)3 to be Ca16Mg3Sn13" +mp-1225151,EuV2BiO8,-8.4767233133,-2.4901555833,0.0056441729,0.0056441729,GGA+U,I-4m2,ABC8D2_tI24_119_a_c_2i_bd:Bi-Eu-O-V,12.0,"Invalid WP multiplicities - ABC8D2_tI24_119_a_c_6i_bd:Bi-Eu-O-V, expected EuV2BiO24 to be EuV2BiO8" +mp-1521044,BaEuVBiO6,-7.982940105,-2.5048896843,0.2056233075,0.2056233075,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-V,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-Eu-O-V +mp-1233854,Ba4MgMn4(P2O7)4,-7.8555237678,-2.7946805467,0.1229297728,0.1229297728,GGA+U,P1,A4BC4D28E8_aP45_1_4a_a_4a_28a_8a:Ba-Mg-Mn-O-P,45.0,A4BC4D28E8_aP45_1_4a_a_4a_28a_8a:Ba-Mg-Mn-O-P +mp-1234981,Ba4MgMn4(P2O7)4,-7.8723872078,-2.8115439867000003,0.1060663328,0.1060663328,GGA+U,P1,A4BC4D28E8_aP45_1_4a_a_4a_28a_8a:Ba-Mg-Mn-O-P,45.0,A4BC4D28E8_aP45_1_4a_a_4a_28a_8a:Ba-Mg-Mn-O-P +mp-1233296,Ba2MgMn2(P2O7)2,-7.6950597509,-2.709446164,0.2077269364,0.2077269364,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P +mp-1233482,Ba2MgMn2(P2O7)2,-7.70445695,-2.7188433631,0.1983297372,0.1983297372,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P +mp-1234275,Ba2MgMn2(P2O7)2,-7.6932443752,-2.7076307883,0.209542312,0.209542312,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Mg-Mn-O-P +mp-1522770,KLaTbNiO6,-6.913108946,-2.299004836,0.2111279102,0.2111279102,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-Tb +mp-866312,CaReH4ClO6,-6.5595917054,-1.9788455383,0.0,-0.0723239535,GGA,Cmcm,ABC4D6E_oC52_63_c_c_h_efg_c:Ca-Cl-H-O-Re,26.0,ABC4D6E_oC52_63_c_c_h_efg_c:Ca-Cl-H-O-Re +mp-1198935,K2Na2Sm4Ta2O13,-8.1507481193,-3.2915002269,0.0,-0.0052211449,GGA,C2/c,A2B2C13D4E2_mC92_15_f_f_e6f_2f_f:K-Na-O-Sm-Ta,46.0,A2B2C13D4E2_mC92_15_f_f_e6f_2f_f:K-Na-O-Sm-Ta +mp-861957,KNaSmTaO5,-7.9864612661,-3.1261577593,0.0,-0.0317596256,GGA,P4/nmm,ABC5DE_tP18_129_a_c_cj_b_c:K-Na-O-Sm-Ta,18.0,"Invalid WP multiplicities - ABC5DE_tP18_129_a_c_2cj_b_c:K-Na-O-Sm-Ta, expected KNaSmTaO6 to be KNaSmTaO5" +mp-1206695,LiVBi,-4.66188608,0.2825532756,0.5481518467000001,0.5481518467000001,GGA,F-43m,ABC_cF12_216_a_c_b:Bi-Li-V,3.0,ABC_cF12_216_a_c_b:Bi-Li-V +mp-1205909,Li2VPb2,-3.872071141,0.1933380477,0.410841057,0.410841057,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:Li-Pb-V,10.0,A2B2C_tP10_127_g_h_a:Li-Pb-V +mp-1235128,LiV2Bi2(PbO5)2,-6.7651484712,-1.7857429112,0.2578470048,0.2578470048,GGA+U,C2/m,A2BC10D2E2_mC34_12_i_a_g2ij_i_i:Bi-Li-O-Pb-V,17.0,"Invalid WP multiplicities - A2BC10D2E2_mC34_12_i_a_g2i2j_i_i:Bi-Li-O-Pb-V, expected LiV2Bi2(PbO7)2 to be LiV2Bi2(PbO5)2" +mp-771389,Li2V3BiO8,-7.6181557775,-2.2979012944,0.0697760606,0.0697760606,GGA+U,P1,AB2C8D3_aP56_1_4a_8a_32a_12a:Bi-Li-O-V,56.0,AB2C8D3_aP56_1_4a_8a_32a_12a:Bi-Li-O-V +mp-1177833,Li2V3BiO8,-7.6125027993,-2.2922483162,0.0754290388,0.0754290388,GGA+U,C2,AB2C8D3_mC112_5_abc_4c_16c_ab5c:Bi-Li-O-V,56.0,"Invalid WP multiplicities - AB2C8D3_mC112_5_abc_6c_32c_ab10c:Bi-Li-O-V, expected Li6V11(BiO16)2 to be Li2V3BiO8" +mp-603245,Rb2Cr4Cu(HO4)4,-6.6630597426,-1.5745268443,0.3745215904,0.3745215904,GGA+U,P-1,A4BC4D16E2_aP27_2_2i_a_2i_8i_i:Cr-Cu-H-O-Rb,27.0,"Invalid WP multiplicities - A4BC4D16E2_aP27_2_4i_a_4i_15i_i:Cr-Cu-H-O-Rb, expected Rb2Cr8Cu(H4O15)2 to be Rb2Cr4Cu(HO4)4" +mp-642834,BaH5ClO3,-5.3017148845,-1.7445940886,0.0,-0.0077110625,GGA,P4/nmm,ABC5D3_tP20_129_c_c_ci_cf:Ba-Cl-H-O,20.0,ABC5D3_tP20_129_c_c_ci_cf:Ba-Cl-H-O +mp-1214843,Ba(HCl)2,-3.290900507,-0.8106004370000001,0.970342711,0.970342711,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Cl-H,20.0,AB2C2_mP20_14_e_2e_2e:Ba-Cl-H +mp-690703,BaH4(ClO)2,-5.0523878175,-1.821240055,0.0228754853,0.0228754853,GGA,P2_1/c,AB2C4D2_mP36_14_e_2e_4e_2e:Ba-Cl-H-O,36.0,AB2C4D2_mP36_14_e_2e_4e_2e:Ba-Cl-H-O +mp-24565,BaHClO,-5.43444905,-2.4077174609,0.0,-0.0079413397,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Ba-Cl-H-O,16.0,ABCD_oP16_62_c_c_c_c:Ba-Cl-H-O +mp-23861,BaHCl,-4.2220363117,-1.83529043,0.0,-0.0479842396,GGA,P4/nmm,ABC_tP6_129_c_c_a:Ba-Cl-H,6.0,ABC_tP6_129_c_c_a:Ba-Cl-H +mp-23944,BaH6Cl2O11,-5.193987951,-1.1746889333,0.0136286419,0.0136286419,GGA,P6_3/m,AB2C6D11_hP40_176_b_f_2h_fhi:Ba-Cl-H-O,40.0,"Invalid WP multiplicities - AB2C6D11_hP40_176_b_f_2h_fh2i:Ba-Cl-H-O, expected BaH6Cl2O17 to be BaH6Cl2O11" +mp-24421,BaH2Cl2O7,-5.1658039838,-1.2467772064,0.0234927925,0.0234927925,GGA,C2/c,AB2C2D7_mC48_15_e_f_f_e3f:Ba-Cl-H-O,24.0,AB2C2D7_mC48_15_e_f_f_e3f:Ba-Cl-H-O +mp-1205266,Ba2H20Ru2Cl10O11,-5.0812536378,-1.4559154537,0.0090168684,0.0090168684,GGA,C2/c,A2B10C20D11E2_mC180_15_f_5f_10f_e5f_f:Ba-Cl-H-O-Ru,90.0,A2B10C20D11E2_mC180_15_f_5f_10f_e5f_f:Ba-Cl-H-O-Ru +mp-1198408,Ba2HRu3O10,-7.2029489891,-1.920400823,0.0,-0.0500697491,GGA,P2_12_12_1,A2BC10D3_oP64_19_2a_a_10a_3a:Ba-H-O-Ru,64.0,A2BC10D3_oP64_19_2a_a_10a_3a:Ba-H-O-Ru +mp-1198374,Ba2H14Cl4O15,-5.042462993,-1.2444460839,0.1285743586,0.1285743586,GGA,C2/c,A2B4C14D15_mC140_15_f_2f_7f_3e6f:Ba-Cl-H-O,70.0,A2B4C14D15_mC140_15_f_2f_7f_3e6f:Ba-Cl-H-O +mp-1214876,Ba2HCl2,-3.11788333,-0.932333481,1.059312351,1.059312351,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Ba-Cl-H,5.0,A2B2C_tP5_123_g_g_a:Ba-Cl-H +mp-642661,BaH2Cl2O,-4.9870057092,-2.0956408656,0.0295054346,0.0295054346,GGA,Pnma,AB2C2D_oP24_62_c_2c_2c_c:Ba-Cl-H-O,24.0,AB2C2D_oP24_62_c_2c_2c_c:Ba-Cl-H-O +mp-1228178,Ba3SrY2(SbO6)2,-7.4744707995,-3.0745894237,0.011358673,0.011358673,GGA,P1,A3B12C2DE2_aP20_1_3a_12a_2a_a_2a:Ba-O-Sb-Sr-Y,20.0,A3B12C2DE2_aP20_1_3a_12a_2a_a_2a:Ba-O-Sb-Sr-Y +mp-1228243,Ba4Sr2Y3(SbO6)3,-7.4664326567,-3.0703759724,0.0172310637,0.0172310637,GGA,P1,A4B18C3D2E3_aP30_1_4a_18a_3a_2a_3a:Ba-O-Sb-Sr-Y,30.0,A4B18C3D2E3_aP30_1_4a_18a_3a_2a_3a:Ba-O-Sb-Sr-Y +mp-1521613,BaSrYSbO6,-7.4630986472,-3.0746913458,0.0162335688,0.0162335688,GGA,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sb-Sr-Y,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Sb-Sr-Y +mp-1521751,BaSrYSbO6,-7.449895085,-3.0614877836,0.029437131,0.029437131,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sr-Y,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sr-Y +mp-1227529,BaSrY4O8,-8.6131665839,-3.6811764027,0.0056207078,0.0056207078,GGA,Pmc2_1,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Y,28.0,AB8CD4_oP28_26_a_4a4b_b_2a2b:Ba-O-Sr-Y +mp-1227790,BaSr2Y6O12,-8.6046973748,-3.6781710385,0.0184494758,0.0184494758,GGA,P-6,AB12C2D6_hP21_174_a_2j2k_cf_jk:Ba-O-Sr-Y,21.0,AB12C2D6_hP21_174_a_2j2k_cf_jk:Ba-O-Sr-Y +mp-1522345,BaNdEuWO6,-9.0050665715,-3.0468279045,0.0288235519,0.0288235519,GGA+U,P-1,ABCD6E_aP20_2_i_i_ah_6i_be:Ba-Eu-Nd-O-W,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_i_ah_12i_be:Ba-Eu-Nd-O-W, expected BaNdEuWO12 to be BaNdEuWO6" +mp-1522438,BaNdEuWO6,-8.879687705,-2.921449038,0.1542024184,0.1542024184,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-W +mp-1210484,Na5S3ClO12,-5.778825489,-1.9583122861,0.085702569,0.085702569,GGA,P6_3/m,AB5C12D3_hP42_176_b_fh_2hi_h:Cl-Na-O-S,42.0,AB5C12D3_hP42_176_b_fh_2hi_h:Cl-Na-O-S +mp-1180071,Pb10S(ClO3)4,-5.5526851885,-1.5520432722000002,0.0670580453,0.0670580453,GGA,P-1,A4B12C10D_aP54_2_4i_12i_10i_i:Cl-O-Pb-S,54.0,A4B12C10D_aP54_2_4i_12i_10i_i:Cl-O-Pb-S +mp-1212663,Na22S10Cl3O40,-5.7973031262,-2.1456602788,0.0372459342,0.0372459342,GGA,I-43d,A3B22C40D10_cI300_220_a_cde_c3e_cd:Cl-Na-O-S,150.0,A3B22C40D10_cI300_220_a_cde_c3e_cd:Cl-Na-O-S +mp-1223492,Na3Pb2S3ClO12,-6.0914915845,-2.0433477361,0.0,-0.0259775677,GGA,P2_1,AB3C12D2E3_mP84_4_2a_6a_24a_4a_6a:Cl-Na-O-Pb-S,84.0,AB3C12D2E3_mP84_4_2a_6a_24a_4a_6a:Cl-Na-O-Pb-S +mp-677013,Na3Pb2S3ClO12,-6.0909013102,-2.0427574619,0.0005902743,-0.0253872935,GGA,P2_1/m,AB3C12D2E3_mP42_11_a_ef_6e3f_2e_3e:Cl-Na-O-Pb-S,42.0,"Invalid WP multiplicities - AB3C12D2E3_mP42_11_a_2ef_12e5f_3e_5e:Cl-Na-O-Pb-S, expected Na4Pb3S5ClO22 to be Na3Pb2S3ClO12" +mp-699660,KHo2Cu(MoO4)4,-8.0987115002,-2.3943763678,0.027985005,0.027985005,GGA+U,Cc,AB2CD4E16_mC96_9_a_2a_a_4a_16a:Cu-Ho-K-Mo-O,48.0,"Invalid WP multiplicities - AB2CD4E16_mC96_15_e_f_e_8f_30f:Cu-Ho-K-Mo-O, expected KHo2Cu(Mo4O15)4 to be KHo2Cu(MoO4)4" +mp-1203708,KHo2Cu(MoO4)4,-8.099190921,-2.3948557887,0.0275055842,0.0275055842,GGA+U,C2/c,AB2CD4E16_mC96_15_e_f_e_2f_8f:Cu-Ho-K-Mo-O,48.0,AB2CD4E16_mC96_15_e_f_e_2f_8f:Cu-Ho-K-Mo-O +mp-558437,HoCu(MoO4)2,-8.107947826,-2.2790790385,0.0146439483,0.0146439483,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-Ho-Mo-O,96.0,"Invalid WP multiplicities - ABC2D8_oP96_61_c_c_9c_61c:Cu-Ho-Mo-O, expected HoCuMo9O61 to be HoCu(MoO4)2" +mp-1211449,KHo(MoO4)2,-8.1166659467,-2.5368644694,0.0141352894,-0.0083189448,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Ho-K-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Ho-K-Mo-O +mp-1211556,KHo(MoO4)2,-8.130801236,-2.5509997588,0.0,-0.0224542342,GGA+U,Pbcn,ABC2D8_oP48_60_c_c_d_4d:Ho-K-Mo-O,48.0,ABC2D8_oP48_60_c_c_d_4d:Ho-K-Mo-O +mp-2225375,MgCoHO2,-5.701154788,-1.3022145255,0.5706106442000001,0.5706106442000001,GGA+U,C2/m,ABCD2_mC10_12_c_a_b_i:Co-H-Mg-O,5.0,ABCD2_mC10_12_c_a_b_i:Co-H-Mg-O +mp-2227658,MgCoHO2,-5.901074956,-1.5021346935,0.3706904762,0.3706904762,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Co-H-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Co-H-Mg-O +mp-2217537,MgCo2(HO2)2,-6.1002754056,-1.3903728972,0.297427615,0.297427615,GGA+U,Amm2,A2B2CD4_oC18_38_c_ab_a_2c:Co-H-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_oC18_38_c_ab_a_3c:Co-H-Mg-O, expected MgCo2(HO3)2 to be MgCo2(HO2)2" +mp-2222810,MgCo2(HO2)2,-6.0479316456,-1.3380291372,0.349771375,0.349771375,GGA+U,Amm2,A2B2CD4_oC18_38_c_ab_a_2c:Co-H-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_oC18_38_c_ab_a_3c:Co-H-Mg-O, expected MgCo2(HO3)2 to be MgCo2(HO2)2" +mp-697924,MgCoH16(ClO2)4,-5.038073311,-1.3727442812,0.0056815561,0.0056815561,GGA+U,P-1,A4BC16DE8_aP30_2_2i_b_8i_e_4i:Cl-Co-H-Mg-O,60.0,A4BC16DE8_aP30_2_2i_b_8i_e_4i:Cl-Co-H-Mg-O +mp-642660,Mg2CoH5,-3.7753923794,-0.3663288644,0.0,-0.1290937719,GGA,P4/nmm,AB5C2_tP16_129_c_cj_ab:Co-H-Mg,16.0,AB5C2_tP16_129_c_cj_ab:Co-H-Mg +mp-558835,NaNiAsO4,-6.2623641736,-1.7554305702000002,0.0,-0.0177828129,GGA+U,R-3,ABCD4_hR42_148_c_c_c_cf:As-Na-Ni-O,28.0,ABCD4_hR42_148_c_c_c_cf:As-Na-Ni-O +mp-771271,Na3NiBAsO7,-6.2017548438,-1.9161360965,0.1005736747,0.1005736747,GGA+U,P2_1/m,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-B-Na-Ni-O,26.0,"Invalid WP multiplicities - ABC3DE7_mP26_11_e_e_2ef_e_9e2f:As-B-Na-Ni-O, expected Na4NiBAsO13 to be Na3NiBAsO7" +mp-1210228,Na5Ni9As7,-4.6294139495,-0.2842860723,0.0405747271,0.0405747271,GGA,P-6,A7B5C9_hP21_174_ajk_cfk_2jk:As-Na-Ni,21.0,A7B5C9_hP21_174_ajk_cfk_2jk:As-Na-Ni +mp-755942,NaNiBO3,-6.866017105,-2.095663792,0.0527486275,0.0527486275,GGA+U,C2/c,ABCD3_mC24_15_e_e_a_ef:B-Na-Ni-O,24.0,ABCD3_mC24_15_e_e_c_ef:B-Na-Ni-O +mp-772229,Na3Ni(BO3)2,-6.5424902042,-2.1436045067,0.044756391,0.044756391,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Na-Ni-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_7e_11e_e_23e:B-Na-Ni-O, expected Na11NiB7O23 to be Na3Ni(BO3)2" +mp-704915,Na2Ni2(B4O7)3,-8.0055497965,-2.6477528199,0.0,-0.0070781794,GGA+U,C2/c,A12B2C2D21_mC148_15_6f_f_f_e10f:B-Na-Ni-O,74.0,"Invalid WP multiplicities - A12B2C2D21_mC148_15_19f_f_f_2e36f:B-Na-Ni-O, expected NaNiB19O37 to be Na2Ni2(B4O7)3" +mp-532655,Rb2TiFe(PO4)3,-7.5208351099,-2.5773217716,0.1703431425,0.1703431425,GGA+U,P2_13,AB12C3D2E_cP76_198_a_4b_b_2a_a:Fe-O-P-Rb-Ti,76.0,"Invalid WP multiplicities - AB12C3D2E_cP76_198_a_45b_b_5a_a:Fe-O-P-Rb-Ti, expected Rb5TiFe(PO45)3 to be Rb2TiFe(PO4)3" +mp-1194804,K2Th3Mg(MoO4)8,-8.4570954872,-2.563141306,0.0,-0.0024207189,GGA+U,C2/c,A2BC8D32E3_mC184_15_f_e_4f_16f_ef:K-Mg-Mo-O-Th,92.0,A2BC8D32E3_mC184_15_f_e_4f_16f_ef:K-Mg-Mo-O-Th +mp-776860,Li4Fe3Co3(WO8)2,-7.5728855561,-1.8788145446,0.055603299,0.055603299,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Fe-Li-O-W,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-W, expected Li4Fe3Co3(WO10)2 to be Li4Fe3Co3(WO8)2" +mp-532617,Rb16Yb3Ti13(PO4)24,-7.7863637464,-2.9985338605000003,0.0,-0.0160905992,GGA,P1,A96B24C16D13E3_aP152_1_96a_24a_16a_13a_3a:O-P-Rb-Ti-Yb,,A96B24C16D13E3_aP152_1_96a_24a_16a_13a_3a:O-P-Rb-Ti-Yb +mp-1209224,RbYbP2O7,-7.2148124632,-2.8535789773,0.0,-0.0089075617,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Yb,,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Yb +mp-1209305,Rb3Yb(PO4)2,-6.6932987864,-2.7732041292,0.0,-0.0415741692,GGA,P-3m1,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Yb,,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Yb +mp-1198913,RbYb(PO3)4,-7.364704329,-2.7239478338,0.0014236512,0.0014236512,GGA,P2_1/c,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Yb,,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Yb +mp-640715,Rb3Yb2(PO4)3,-6.9063939302,-2.8253443886,0.0105209701,0.0105209701,GGA,I2_13,A12B3C3D2_cI320_199_8c_2c_3a2b_a2b:O-P-Rb-Yb,,"Invalid WP multiplicities - A12B3C3D2_cI320_199_83c_13c_12a10b_4a9b:O-P-Rb-Yb, expected Rb54Yb35(P13O83)6 to be Rb3Yb2(PO4)3" +mp-686708,Rb2YbTi(PO4)3,-7.5072928636,-2.9285381006,0.0033681101,0.0033681101,GGA,P2_1,A12B3C2DE_mP152_4_48a_12a_8a_4a_4a:O-P-Rb-Ti-Yb,,A12B3C2DE_mP152_4_96a_24a_16a_8a_8a:O-P-Rb-Ti-Yb +mp-1220022,Rb2YbTi(PO4)3,-7.5089726657,-2.9302179027,0.001688308,0.001688308,GGA,P2_13,A12B3C2DE_cP76_198_4b_b_2a_a_a:O-P-Rb-Ti-Yb,,A12B3C2DE_cP76_198_4b_b_2a_a_a:O-P-Rb-Ti-Yb +mp-1523102,BaSrNdWO6,-8.1621085225,-3.0606206902,0.0394695922,0.0394695922,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Nd-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Nd-O-Sr-W, expected BaSrNdWO12 to be BaSrNdWO6" +mp-1523224,BaSrNdWO6,-8.153130402,-3.0516425697,0.0484477127,0.0484477127,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nd-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nd-O-Sr-W +mp-1523196,BaSrNdWO6,-8.053854778,-2.9523669457,0.1477233367,0.1477233367,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nd-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nd-O-Sr-W +mp-864958,Fe2C4Cl2O9,-3.7108281571,2.2934057318,3.9593195323,3.9593195323,GGA+U,Fdd2,A4B2C2D9_oF136_43_2b_b_b_a4b:C-Cl-Fe-O,34.0,A4B2C2D9_oF136_43_2b_b_b_a4b:C-Cl-Fe-O +mp-1181787,Fe2C4Cl2O9,-7.3178551974,-1.3136213085,0.352292492,0.352292492,GGA+U,Fdd2,A4B2C2D9_oF136_43_2b_b_b_a4b:C-Cl-Fe-O,34.0,A4B2C2D9_oF136_43_2b_b_b_a4b:C-Cl-Fe-O +mp-624762,Fe4Te2(CO)11,-7.4299144915,-0.4265004605,0.7719121432,0.7719121432,GGA+U,Pccn,A11B4C11D2_oP112_56_c5e_2e_c5e_e:C-Fe-O-Te,112.0,"Invalid WP multiplicities - A11B4C11D2_oP112_56_3c32e_10e_4c32e_e:C-Fe-O-Te, expected Fe20Te2C67O68 to be Fe4Te2(CO)11" +mp-652337,Fe3Te2(CO)9,-7.4528548554,-0.5278608011,0.6572793515,0.6572793515,GGA+U,P-1,A9B3C9D2_aP46_2_9i_3i_9i_2i:C-Fe-O-Te,46.0,"Invalid WP multiplicities - A9B3C9D2_aP46_2_16i_3i_17i_3i:C-Fe-O-Te, expected Fe3Te3C16O17 to be Fe3Te2(CO)9" +mp-1178182,Li15Ni8(PO4)12,-6.8878110995,-2.3423216458,0.0626646638,0.0626646638,GGA+U,P1,A15B8C48D12_aP83_1_15a_8a_48a_12a:Li-Ni-O-P,83.0,A15B8C48D12_aP83_1_15a_8a_48a_12a:Li-Ni-O-P +mp-765474,Li2Ni3(P2O7)2,-7.2169881552,-2.3445921658,0.0376825615,0.0337309836,GGA+U,P-1,A2B3C14D4_aP23_2_i_ai_7i_2i:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_aP23_2_i_2a2i_7i_2i:Li-Ni-O-P, expected LiNi3P2O7 to be Li2Ni3(P2O7)2" +mp-32395,Li2Ni3(P2O7)2,-7.2268880478,-2.3544920584,0.0277826689,0.023831091,GGA+U,P-1,A2B3C14D4_aP46_2_2i_3i_14i_4i:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_aP46_2_3i_5i_27i_6i:Li-Ni-O-P, expected Li3Ni5(P2O9)3 to be Li2Ni3(P2O7)2" +mp-859123,Li2Ni3(P2O7)2,-7.1685700535,-2.296174064,0.0861006633,0.0821490853,GGA+U,P2_1,A2B3C14D4_mP46_4_2a_3a_14a_4a:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_4_3a_5a_27a_7a:Li-Ni-O-P, expected Li3Ni5P7O27 to be Li2Ni3(P2O7)2" +mp-25991,Li2Ni3(P2O7)2,-7.2546707167,-2.3822747273,0.0,-0.0039515779,GGA+U,P2_1/c,A2B3C14D4_mP46_14_e_ae_7e_2e:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_14_e_2a2e_27e_3e:Li-Ni-O-P, expected LiNi3(PO9)3 to be Li2Ni3(P2O7)2" +mp-860872,Li4Ni7(PO4)6,-7.0834147305,-2.2225124784,0.0631405837,0.0631405837,GGA+U,Cm,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Ni-O-P,41.0,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Ni-O-P +mp-32384,Li4Ni7(PO4)6,-7.0995970644,-2.2386948123,0.0469582498,0.0469582498,GGA+U,Cm,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Ni-O-P,41.0,"Invalid WP multiplicities - A4B7C24D6_mC82_8_2a2b_a5b_4a19b_2a3b:Li-Ni-O-P, expected Li6Ni11(P4O21)2 to be Li4Ni7(PO4)6" +mp-705401,Li2Ni4P4O15,-7.1720997542,-2.2604224283,0.0471555682,0.0471555682,GGA+U,C2/c,A2B4C15D4_mC200_15_2f_c3e2f_15f_4f:Li-Ni-O-P,100.0,"Invalid WP multiplicities - A2B4C15D4_mC200_15_6f_2a6e6f_53f_14f:Li-Ni-O-P, expected Li6Ni10P14O53 to be Li2Ni4P4O15" +mp-17664,LiNi2P3O10,-7.3321766294,-2.3836772007,0.0,-0.0015467401,GGA+U,P2_1/m,AB2C10D3_mP32_11_a_f_4e3f_3e:Li-Ni-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mP32_11_a_f_4e4f_3e:Li-Ni-O-P, expected LiNi2(PO4)3 to be LiNi2P3O10" +mp-857347,LiNi2P3O10,-7.2593529056,-2.3108534769,0.0728237238,0.0712769837,GGA+U,C2/c,AB2C10D3_mC64_15_e_f_5f_ef:Li-Ni-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mC64_15_e_f_17f_e2f:Li-Ni-O-P, expected LiNi2P5O34 to be LiNi2P3O10" +mp-540011,Li2Ni(PO3)5,-7.2589961611,-2.4387863517,0.0477197723,0.0477197723,GGA+U,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_4a_a_30a_10a:Li-Ni-O-P, expected Li4Ni(PO3)10 to be Li2Ni(PO3)5" +mp-765458,Li2Ni(PO3)5,-7.2229001746,-2.4026903652,0.0838157588,0.0838157588,GGA+U,Cc,A2BC15D5_mC92_9_2a_a_15a_5a:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mC92_9_2a_a_18a_8a:Li-Ni-O-P, expected Li2Ni(P4O9)2 to be Li2Ni(PO3)5" +mp-25841,Li2Ni(PO3)5,-7.2488399613,-2.4286301519,0.057875972,0.057875972,GGA+U,P2_1/m,A2BC15D5_mP46_11_f_a_3e6f_e2f:Li-Ni-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_11_f_a_6e20f_2e7f:Li-Ni-O-P, expected Li2Ni(P8O23)2 to be Li2Ni(PO3)5" +mp-867594,Li2Ni3P9O28,-7.253943606,-2.2923897429,0.0910992664,0.0910992664,GGA+U,P-1,A2B3C28D9_aP42_2_i_bi_14i_d4i:Li-Ni-O-P,42.0,"Invalid WP multiplicities - A2B3C28D9_aP42_2_i_bi_28i_d8i:Li-Ni-O-P, expected Li2Ni3P17O56 to be Li2Ni3P9O28" +mp-886210,Li5Ni6(P2O7)4,-7.1618312211,-2.3524878512000003,0.0378440277,0.0378440277,GGA+U,P-1,A5B6C28D8_aP47_2_a2i_bd2i_14i_4i:Li-Ni-O-P,47.0,"Invalid WP multiplicities - A5B6C28D8_aP47_2_a4i_bd4i_27i_7i:Li-Ni-O-P, expected Li9Ni10(P7O27)2 to be Li5Ni6(P2O7)4" +mp-25891,Li3Ni(PO4)2,-6.8052135127,-2.3832835139,0.0740106427,0.0740106427,GGA+U,P2_1,A3BC8D2_mP56_4_6a_2a_16a_4a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_4_10a_2a_30a_5a:Li-Ni-O-P, expected Li10Ni2(PO6)5 to be Li3Ni(PO4)2" +mp-26691,Li3Ni(PO4)2,-6.8184514557,-2.3965214569,0.0607726997,0.0607726997,GGA+U,C2/m,A3BC8D2_mC28_12_ai_c_2ij_i:Li-Ni-O-P,14.0,"Invalid WP multiplicities - A3BC8D2_mC28_12_ai_d_3i2j_i:Li-Ni-O-P, expected Li3Ni(PO7)2 to be Li3Ni(PO4)2" +mp-32398,Li3Ni(PO4)2,-6.8153415698,-2.393411571,0.0638825856,0.0638825856,GGA+U,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:Li-Ni-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_14_7e_e_29e_6e:Li-Ni-O-P, expected Li7NiP6O29 to be Li3Ni(PO4)2" +mp-849437,Li4Ni2(PO4)3,-6.8810942925,-2.3669925362,0.0598986741,0.0598986741,GGA+U,Pbcn,A4B2C12D3_oP84_60_2d_d_6d_cd:Li-Ni-O-P,84.0,"Invalid WP multiplicities - A4B2C12D3_oP84_60_5d_d_21d_cd:Li-Ni-O-P, expected Li10Ni2(PO14)3 to be Li4Ni2(PO4)3" +mp-1176986,Li6Ni3Sb(PO4)6,-6.949963641,-2.3468813263,0.0787505025,0.0787505025,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Sb,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Sb +mp-32383,Li2NiP2O7,-7.0763649404,-2.4887475733,0.0243457785,0.0243457785,GGA+U,P1,A2BC7D2_aP48_1_8a_4a_28a_8a:Li-Ni-O-P,48.0,A2BC7D2_aP48_1_8a_4a_28a_8a:Li-Ni-O-P +mp-753547,Li2NiP2O7,-7.0638610362,-2.4762436691,0.0368496826,0.0368496826,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P +mp-753396,Li2NiP2O7,-7.0447891994,-2.4571718323,0.0559215195,0.0559215195,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P +mp-801636,Li2NiP2O7,-3.4452046017,1.1424127655,3.6555061172,3.6555061172,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_3i_i_13i_3i:Li-Ni-O-P, expected Li3NiP3O13 to be Li2NiP2O7" +mp-584129,Li2NiP2O7,-7.0746267694,-2.4870094023,0.0260839495,0.0260839495,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P +mp-765592,Li2NiP2O7,-7.0698325912,-2.4822152241,0.0308781276,0.0308781276,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_3i_i_13i_3i:Li-Ni-O-P, expected Li3NiP3O13 to be Li2NiP2O7" +mp-1327635,Li2NiP2O7,-4.2795827767,0.3080345905,2.8211279422,2.8211279422,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_3i_i_13i_3i:Li-Ni-O-P, expected Li3NiP3O13 to be Li2NiP2O7" +mp-1377836,Li2NiP2O7,-4.7686601921000005,-0.181042825,2.3320505268,2.3320505268,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Ni-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_3i_i_13i_3i:Li-Ni-O-P, expected Li3NiP3O13 to be Li2NiP2O7" +mp-779070,Li2NiP2O7,-7.0964781992,-2.508860832,0.0042325197,0.0042325197,GGA+U,P2_1,A2BC7D2_mP24_4_2a_a_7a_2a:Li-Ni-O-P,48.0,A2BC7D2_mP24_4_2a_a_7a_2a:Li-Ni-O-P +mp-777806,Li2NiP2O7,-7.0163078369,-2.4286904698000003,0.084402882,0.084402882,GGA+U,P2_1,A2BC7D2_mP96_4_8a_4a_28a_8a:Li-Ni-O-P,96.0,"Invalid WP multiplicities - A2BC7D2_mP96_4_15a_7a_55a_15a:Li-Ni-O-P, expected Li15Ni7(P3O11)5 to be Li2NiP2O7" +mp-758298,Li2NiP2O7,-7.0575218565,-2.4699044893,0.0431888624,0.0431888624,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Ni-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_3e_e_25e_7e:Li-Ni-O-P, expected Li3NiP7O25 to be Li2NiP2O7" +mp-26365,Li2NiP2O7,-7.0752109137,-2.4875935466,0.0254998051,0.0254998051,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Ni-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_5e_e_25e_6e:Li-Ni-O-P, expected Li5NiP6O25 to be Li2NiP2O7" +mp-764152,Li2NiP2O7,-7.0907793723,-2.5031620052,0.0099313466,0.0099313466,GGA+U,P2_1/c,A2BC7D2_mP96_14_4e_2e_14e_4e:Li-Ni-O-P,96.0,"Invalid WP multiplicities - A2BC7D2_mP96_14_13e_5e_53e_13e:Li-Ni-O-P, expected Li13Ni5P13O53 to be Li2NiP2O7" +mp-754032,Li2NiP2O7,-7.0618533958,-2.4742360287,0.0388573231,0.0388573231,GGA+U,C2/c,A2BC7D2_mC48_15_f_c_e3f_f:Li-Ni-O-P,48.0,A2BC7D2_mC48_15_f_a_e3f_f:Li-Ni-O-P +mp-753293,Li2NiP2O7,-7.0456952346,-2.4580778675,0.0550154843,0.0550154843,GGA+U,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:Li-Ni-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_15_f_c_e11f_f:Li-Ni-O-P, expected Li2NiP2O23 to be Li2NiP2O7" +mp-765564,Li2NiP2O7,-7.033740851,-2.4461234839,0.0669698678,0.0669698678,GGA+U,C2/c,A2BC7D2_mC96_15_2ef_f_7f_2f:Li-Ni-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mC96_15_3e2f_f_13f_3f:Li-Ni-O-P, expected Li7Ni2(P3O13)2 to be Li2NiP2O7" +mp-584012,Li2NiP2O7,-7.0794044681,-2.491787101,0.0213062508,0.0213062508,GGA+U,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:Li-Ni-O-P,48.0,A2BC7D2_mC48_15_f_c_e3f_f:Li-Ni-O-P +mp-753962,Li2NiP2O7,-7.0361770642,-2.448559697,0.0645336547,0.0645336547,GGA+U,Imma,A2BC7D2_oI48_74_f_a_eij_i:Li-Ni-O-P,48.0,A2BC7D2_oI48_74_f_a_eij_i:Li-Ni-O-P +mp-756667,LiNiPO4,-6.9980943061000005,-2.2996490349,0.0664362829,0.0572298365,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:Li-Ni-O-P, expected LiNi2PO4 to be LiNiPO4" +mp-757606,LiNiPO4,-7.0043491596,-2.3059038885,0.0601814293,0.050974983,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:Li-Ni-O-P, expected LiNi2PO4 to be LiNiPO4" +mp-758045,LiNiPO4,-7.0014893021,-2.303044031,0.0630412868,0.0538348405,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:Li-Ni-O-P, expected LiNi2PO4 to be LiNiPO4" +mp-757005,LiNiPO4,-6.9968574657,-2.2984121945,0.0676731232,0.0584666769,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-762012,LiNiPO4,-7.0191128154,-2.3206675442,0.0454177736,0.0362113273,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Li-Ni-O-P,28.0,ABC4D_aP14_2_i_i_4i_i:Li-Ni-O-P +mp-763217,LiNiPO4,-7.0140898007,-2.3156445295,0.0504407882,0.0412343419,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-757944,LiNiPO4,-6.9785676761,-2.2801224049,0.0859629129,0.0767564665,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_2a_4a_8a_2a:Li-Ni-O-P, expected LiNi2PO4 to be LiNiPO4" +mp-758285,LiNiPO4,-6.9766239296,-2.2781786585,0.0879066593,0.078700213,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-752984,LiNiPO4,-6.9807273446,-2.2822820735,0.0838032443,0.074596798,GGA+U,C2,ABC4D_mC28_5_ab_c_4c_c:Li-Ni-O-P,28.0,ABC4D_mC28_5_ab_c_4c_c:Li-Ni-O-P +mp-752968,LiNiPO4,-6.9923411421,-2.293895871,0.0721894468,0.0629830005,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_7_2a_4a_8a_2a:Li-Ni-O-P, expected LiNi2PO4 to be LiNiPO4" +mp-757934,LiNiPO4,-7.0302894146,-2.3318441435,0.0342411743,0.025034728,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Ni-O-P,28.0,ABC4D_mP28_7_2a_2a_8a_2a:Li-Ni-O-P +mp-762023,LiNiPO4,-6.9935849646,-2.2951396935,0.0709456243,0.061739178,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Ni-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Li-Ni-O-P +mp-504246,LiNiPO4,-6.9966400087,-2.2981947375000003,0.0678905803,0.058684134,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Li-Ni-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_15a_64a_14a:Li-Ni-O-P, expected Li16Ni15(P7O32)2 to be LiNiPO4" +mp-705448,LiNiPO4,-6.9947129552,-2.296267684,0.0698176337,0.0606111874,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Li-Ni-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_15a_15a_63a_15a:Li-Ni-O-P, expected Li5Ni5P5O21 to be LiNiPO4" +mp-850709,LiNiPO4,-6.9956970707,-2.2972517995,0.0688335182,0.0596270719,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Li-Ni-O-P, expected Li3Ni3P3O23 to be LiNiPO4" +mp-758043,LiNiPO4,-6.9659619046,-2.2675166335,0.0985686843,0.089362238,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-758048,LiNiPO4,-6.9672344734,-2.2687892022,0.0972961155,0.0880896692,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Li-Ni-O-P, expected Li3Ni3P3O31 to be LiNiPO4" +mp-26403,LiNiPO4,-7.0331692543,-2.3347239831,0.0313613346,0.0221548883,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Ni-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Li-Ni-O-P +mp-758024,LiNiPO4,-7.0042207114,-2.3057754402,0.0603098775,0.0511034312,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-757680,LiNiPO4,-6.9780874964,-2.2796422252,0.0864430925,0.0772366462,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Li-Ni-O-P, expected Li3Ni3P3O23 to be LiNiPO4" +mp-757819,LiNiPO4,-6.9627576873,-2.2643124161,0.1017729017,0.0925664553,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-758200,LiNiPO4,-7.0048922438,-2.3064469726,0.0596383452,0.0504318989,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Li-Ni-O-P, expected Li3Ni3P3O31 to be LiNiPO4" +mp-757763,LiNiPO4,-6.9742002377,-2.2757549665,0.0903303512,0.0811239049,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Li-Ni-O-P, expected Li9Ni9P9O47 to be LiNiPO4" +mp-765154,LiNiPO4,-6.9757566136,-2.2773113424,0.0887739754,0.079567529,GGA+U,P2_1/c,ABC4D_mP112_14_4e_4e_16e_4e:Li-Ni-O-P,112.0,"Invalid WP multiplicities - ABC4D_mP112_14_13e_13e_61e_13e:Li-Ni-O-P, expected Li13Ni13P13O61 to be LiNiPO4" +mp-765226,LiNiPO4,-6.9849110194,-2.2864657482,0.0796195695,0.0704131232,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-765211,LiNiPO4,-6.9923421024,-2.2938968312,0.0721884865,0.0629820402,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Li-Ni-O-P, expected Li9Ni9P9O47 to be LiNiPO4" +mp-757960,LiNiPO4,-6.9757201821,-2.277274911,0.0888104068,0.0796039605,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Li-Ni-O-P,28.0,ABC4D_mC56_15_f_f_4f_f:Li-Ni-O-P +mp-757665,LiNiPO4,-6.9673187864,-2.2688735152,0.0972118025,0.0880053562,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_mC56_15_f_f_13f_f:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-1663413,LiNiPO4,-6.9890937325,-2.2906484613,0.0754368564,0.0662304101,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Li-Ni-O-P,28.0,ABC4D_mC56_15_f_f_4f_f:Li-Ni-O-P +mp-757970,LiNiPO4,-7.0197171436,-2.3212718724,0.0448134454,0.035606999,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-1665344,LiNiPO4,-7.0637905586,-2.3653452874,0.0007400304,-0.008466416,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Li-Ni-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-P +mp-758148,LiNiPO4,-7.0269302296,-2.3284849585,0.0376003593,0.028393913,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Li-Ni-O-P, expected Li5Ni5P5O29 to be LiNiPO4" +mp-758055,LiNiPO4,-6.9893202457,-2.2908749745,0.0752103432,0.0660038969,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-772673,LiNiPO4,-7.00647424,-2.3080289688,0.0580563489,0.0488499026,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P +mp-765644,LiNiPO4,-6.9677913386,-2.2693460674,0.0967392504,0.087532804,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Li-Ni-O-P, expected Li5Ni5P5O29 to be LiNiPO4" +mp-765054,LiNiPO4,-6.9614341012,-2.26298883,0.1030964877,0.0938900414,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_9a_45a_9a:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-765149,LiNiPO4,-6.9817659096,-2.2833206385,0.0827646793,0.073558233,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P +mp-861534,LiNiPO4,-6.9958745939,-2.2974293227,0.068655995,0.0594495487,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P +mp-757681,LiNiPO4,-7.0294370539,-2.3309917827,0.035093535,0.0258870887,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P +mp-757682,LiNiPO4,-6.9673660154,-2.2689207442,0.0971645736,0.0879581273,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Li-Ni-O-P,56.0,ABC4D_oP56_33_4a_4a_16a_4a:Li-Ni-O-P +mp-758297,LiNiPO4,-6.9934140293,-2.2949687581,0.0711165596,0.0619101133,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-26387,LiNiPO4,-7.03198524,-2.3335399688000003,0.0325453489,0.0233389026,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_11a_a:Li-Ni-O-P, expected LiNiPO11 to be LiNiPO4" +mp-861615,LiNiPO4,-7.05394305,-2.3554977788,0.0105875389,0.0013810926,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Li-Ni-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_60_2c3d_3a2d_25d_2c3d:Li-Ni-O-P, expected Li8Ni7(P4O25)2 to be LiNiPO4" +mp-752774,LiNiPO4,-6.992515675,-2.2940704038,0.0720149139,0.0628084676,GGA+U,Fdd2,ABC4D_oF56_43_a_a_2b_a:Li-Ni-O-P,14.0,ABC4D_oF56_43_a_a_2b_a:Li-Ni-O-P +mp-757300,LiNiPO4,-6.9973377186,-2.2988924474,0.0671928704,0.057986424,GGA+U,Pbcn,ABC4D_oP28_60_c_c_2d_c:Li-Ni-O-P,28.0,ABC4D_oP28_60_c_c_2d_c:Li-Ni-O-P +mp-757820,LiNiPO4,-6.9891795145,-2.2907342433,0.0753510745,0.0661446281,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-765394,LiNiPO4,-7.0030186046,-2.3045733335,0.0615119843,0.052305538,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-775848,LiNiPO4,-7.0365013186,-2.3380560474,0.0280292704,0.018822824,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Ni-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Li-Ni-O-P +mp-758390,LiNiPO4,-7.0424791714,-2.3440339002,0.0220514175,0.0128449712,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Ni-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Li-Ni-O-P +mp-758106,LiNiPO4,-6.9653284975,-2.2668832263,0.0992020914,0.0899956451,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_5c4d_c:Li-Ni-O-P, expected LiNiPO13 to be LiNiPO4" +mp-22417,LiNiPO4,-7.0645305889,-2.3660853177,0.0,-0.0092064463,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Ni-O-P +mp-761990,LiNiPO4,-6.9624178936,-2.2639726224,0.1021126954,0.092906249,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Li-Ni-O-P,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_a_c_f2g_c:Li-Ni-O-P, expected LiNiPO6 to be LiNiPO4" +mp-26093,LiNiPO4,-7.0552226257,-2.3567773545,0.0093079632,0.0001015169,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Ni-O-P,28.0,ABC4D_oC28_63_c_a_fg_c:Li-Ni-O-P +mp-753481,LiNiPO4,-6.9853244307,-2.2868791595,0.0792061582,0.0699997119,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Li-Ni-O-P,28.0,ABC4D_oI28_74_a_c_hi_e:Li-Ni-O-P +mp-757661,LiNiPO4,-6.9863814468,-2.2879361756,0.0781491421,0.0689426958,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC4D_tP28_95_a_b_3d_c:Li-Ni-O-P, expected LiNiPO6 to be LiNiPO4" +mp-26577,LiNiPO4,-7.0219279098,-2.3234826386,0.0426026792,0.0333962328,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Li-Ni-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_5b_6b_21b_5b:Li-Ni-O-P, expected Li5Ni6P5O21 to be LiNiPO4" +mp-754122,LiNiPO4,-7.0088229421,-2.310377671,0.0557076468,0.0465012005,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Li-Ni-O-P,14.0,ABC4D_hR42_148_c_c_cf_c:Li-Ni-O-P +mp-774821,LiNiPO4,-6.9806246332,-2.282179362,0.0839059557,0.0746995094,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Li-Ni-O-P,28.0,ABC4D_hR42_148_c_c_cf_c:Li-Ni-O-P +mp-757941,LiNiPO4,-6.9592729855,-2.2608277143,0.1052576035,0.0960511571,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Ni-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b15c_a4b:Li-Ni-O-P, expected Li3Ni3(PO10)5 to be LiNiPO4" +mp-25967,LiNiPO4,-7.0130778807,-2.3146326095,0.0514527082,0.0422462619,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Ni-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b14c_2a3b:Li-Ni-O-P, expected Li3Ni3P5O47 to be LiNiPO4" +mp-850006,LiNiPO4,-6.9519770664,-2.2535317952,0.1125535225,0.1033470762,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Li-Ni-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-765292,LiNiPO4,-6.9439795021,-2.245534231,0.1205510868,0.1113446405,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Li-Ni-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Li-Ni-O-P, expected LiNiPO5 to be LiNiPO4" +mp-757867,LiNiPO4,-6.9407367014,-2.2422914302,0.1237938876,0.1145874412,GGA+U,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Li-Ni-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_21a_17a_89a_17a:Li-Ni-O-P, expected Li21Ni17P17O89 to be LiNiPO4" +mp-757942,LiNiPO4,-7.0036205445,-2.3051752733,0.0609100444,0.0517035981,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Li-Ni-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_21c_c:Li-Ni-O-P, expected Li3Ni5(PO21)3 to be LiNiPO4" +mp-705004,LiNi(PO3)5,-7.2373015093,-2.2847604753,0.0949862934,0.0949862934,GGA+U,Pc,ABC15D5_mP44_7_a_a_15a_5a:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC15D5_mP44_7_a_a_30a_10a:Li-Ni-O-P, expected LiNi(PO3)10 to be LiNi(PO3)5" +mp-1101517,LiNi(PO3)5,-7.2492611036,-2.2967200696,0.0830266991,0.0830266991,GGA+U,P2_1/c,ABC15D5_mP88_14_e_ac_15e_5e:Li-Ni-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_e_2ac_58e_17e:Li-Ni-O-P, expected Li2Ni3(P17O58)2 to be LiNi(PO3)5" +mp-859097,Li5NiP3O11,-6.860528606,-2.5616168881,0.0504650699,0.0504650699,GGA+U,P-1,A5BC11D3_aP40_2_5i_bd_11i_3i:Li-Ni-O-P,40.0,"Invalid WP multiplicities - A5BC11D3_aP40_2_9i_bd_21i_5i:Li-Ni-O-P, expected Li9NiP5O21 to be Li5NiP3O11" +mp-761038,Li5Ni2(PO4)3,-6.8472477414,-2.4515632073,0.0556306155,0.0556306155,GGA+U,P-1,A5B2C12D3_aP44_2_5i_2i_12i_3i:Li-Ni-O-P,44.0,"Invalid WP multiplicities - A5B2C12D3_aP44_2_9i_3i_23i_5i:Li-Ni-O-P, expected Li9Ni3P5O23 to be Li5Ni2(PO4)3" +mp-777338,Li5Ni2(PO4)3,-6.8539776705,-2.4582931364,0.0489006864,0.0489006864,GGA+U,P2_1,A5B2C12D3_mP88_4_10a_4a_24a_6a:Li-Ni-O-P,88.0,"Invalid WP multiplicities - A5B2C12D3_mP88_4_18a_4a_46a_12a:Li-Ni-O-P, expected Li9Ni2P6O23 to be Li5Ni2(PO4)3" +mp-756181,Li4Ni3Sb(PO4)4,-6.9182026475,-2.2787264992000003,0.1014597176,0.1014597176,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Ni-O-P-Sb,28.0,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Ni-O-P-Sb +mp-25879,LiNi3P3O11,-7.2522342606,-2.2576333578,0.0271917915,0.0271917915,GGA+U,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:Li-Ni-O-P,72.0,"Invalid WP multiplicities - AB3C11D3_mP72_14_e_9e_41e_9e:Li-Ni-O-P, expected LiNi9P9O41 to be LiNi3P3O11" +mp-857663,LiNi3P3O11,-7.2006161553,-2.2060152525,0.0788098968,0.0788098968,GGA+U,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:Li-Ni-O-P,72.0,"Invalid WP multiplicities - AB3C11D3_mP72_14_e_9e_43e_11e:Li-Ni-O-P, expected LiNi9P11O43 to be LiNi3P3O11" +mp-540059,Li2Ni(PO4)2,-6.8096289908,-2.194390751,0.1253877275,0.1253877275,GGA+U,P2_1,A2BC8D2_mP52_4_4a_2a_16a_4a:Li-Ni-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_4_7a_4a_32a_7a:Li-Ni-O-P, expected Li7Ni4P7O32 to be Li2Ni(PO4)2" +mp-705031,Li2Ni(PO4)2,-6.7967169021,-2.1814786624,0.1382998162,0.1382998162,GGA+U,P2_1,A2BC8D2_mP52_4_4a_2a_16a_4a:Li-Ni-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_4_6a_4a_31a_8a:Li-Ni-O-P, expected Li6Ni4P8O31 to be Li2Ni(PO4)2" +mp-26692,Li2Ni(PO4)2,-6.81605446,-2.2008162203,0.1189622583,0.1189622583,GGA+U,Cm,A2BC8D2_mC26_8_2a_a_4a2b_2a:Li-Ni-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_8_2a_a_4a4b_2a:Li-Ni-O-P, expected Li2Ni(PO6)2 to be Li2Ni(PO4)2" +mp-27060,LiNi5(P2O7)4,-7.1844111704,-2.1219514029,0.0985572474,0.0985572474,GGA+U,P-1,AB5C28D8_aP84_2_ab_5i_28i_8i:Li-Ni-O-P,84.0,"Invalid WP multiplicities - AB5C28D8_aP84_2_ab_7i_55i_16i:Li-Ni-O-P, expected LiNi7P16O55 to be LiNi5(P2O7)4" +mp-25898,LiNi2(PO4)3,-6.9058660164,-1.9575677785,0.1612563999,0.1612563999,GGA+U,P1,AB2C12D3_aP72_1_4a_8a_48a_12a:Li-Ni-O-P,72.0,AB2C12D3_aP72_1_4a_8a_48a_12a:Li-Ni-O-P +mp-540199,LiNi2(PO4)3,-6.9034188189000005,-1.955120581,0.1637035974,0.1637035974,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Li-Ni-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_4i_24i_5i:Li-Ni-O-P, expected LiNi4P5O24 to be LiNi2(PO4)3" +mp-25848,LiNi2(PO4)3,-6.9089818228,-1.9606835849,0.1581405935,0.1581405935,GGA+U,C2/c,AB2C12D3_mC72_15_a_f_6f_ef:Li-Ni-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_15_a_f_21f_ef:Li-Ni-O-P, expected LiNi2(PO14)3 to be LiNi2(PO4)3" +mp-26680,LiNi2(PO4)3,-6.9237124536,-1.9754142157,0.1434099626,0.1434099626,GGA+U,C2/m,AB2C12D3_mC72_12_i_aci_6i3j_3i:Li-Ni-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_12_i_adi_12i12j_6i:Li-Ni-O-P, expected LiNi2(PO6)6 to be LiNi2(PO4)3" +mp-26438,LiNi2(PO4)3,-6.9275635143,-1.9792652764,0.1395589019,0.1395589019,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Ni-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_4e_43e_10e:Li-Ni-O-P, expected LiNi4P10O43 to be LiNi2(PO4)3" +mp-757640,Li2Ni(PO3)4,-7.2379674571,-2.4689434058,0.0839633534,0.0839633534,GGA+U,P1,A2BC12D4_aP38_1_4a_2a_24a_8a:Li-Ni-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mC76_8_2a2b_b_4a20b_8b:Li-Ni-O-P, expected Li3Ni(P4O11)2 to be Li2Ni(PO3)4" +mp-771782,Li2Ni(PO3)4,-7.2518883053,-2.4828642539,0.0700425052,0.0700425052,GGA+U,P-1,A2BC12D4_aP19_2_i_a_6i_2i:Li-Ni-O-P,19.0,"Invalid WP multiplicities - A2BC12D4_aP19_2_i_a_11i_3i:Li-Ni-O-P, expected Li2Ni(P3O11)2 to be Li2Ni(PO3)4" +mp-761495,Li2Ni(PO3)4,-7.258519318,-2.4894952667,0.0634114925,0.0634114925,GGA+U,C2,A2BC12D4_mC38_5_2a_b_6c_2c:Li-Ni-O-P,76.0,A2BC12D4_mC38_5_2a_b_6c_2c:Li-Ni-O-P +mp-860968,Li2Ni(PO3)4,-7.2485883595,-2.4795643082,0.073342451,0.073342451,GGA+U,Cc,A2BC12D4_mC76_9_2a_a_12a_4a:Li-Ni-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mC76_9_2a_a_20a_4a:Li-Ni-O-P, expected Li2Ni(PO5)4 to be Li2Ni(PO3)4" +mp-863424,Li2Ni(PO3)4,-7.2632089053,-2.4941848539,0.0587219052,0.0587219052,GGA+U,P2_1/c,A2BC12D4_mP38_14_e_a_6e_2e:Li-Ni-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mP38_14_e_a_21e_3e:Li-Ni-O-P, expected Li2Ni(PO7)6 to be Li2Ni(PO3)4" +mp-757511,Li2Ni(PO3)4,-7.2296269842,-2.4606029329,0.0923038263,0.0923038263,GGA+U,P2_1/c,A2BC12D4_mP76_14_2e_e_12e_4e:Li-Ni-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_mP76_14_7e_e_43e_15e:Li-Ni-O-P, expected Li7NiP15O43 to be Li2Ni(PO3)4" +mp-26165,Li2Ni(PO3)4,-7.3097297937,-2.5407057424,0.0122010168,0.0122010168,GGA+U,C2/c,A2BC12D4_mC76_15_f_e_2e5f_2f:Li-Ni-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mC76_15_f_e_4e15f_2f:Li-Ni-O-P, expected Li2Ni(P2O17)2 to be Li2Ni(PO3)4" +mp-26195,Li2Ni(PO3)4,-7.3084079616,-2.5393839103,0.0135228489,0.0135228489,GGA+U,Pnma,A2BC12D4_oP76_62_d_c_4c4d_2cd:Li-Ni-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_oP76_62_d_c_15c14d_5c4d:Li-Ni-O-P, expected Li2NiP13O43 to be Li2Ni(PO3)4" +mp-765947,Li6Ni9(PO4)8,-7.0673339715,-2.2477844054,0.0583423217,0.0583423217,GGA+U,P-1,A6B9C32D8_aP55_2_3i_bcd3i_16i_4i:Li-Ni-O-P,55.0,"Invalid WP multiplicities - A6B9C32D8_aP55_2_5i_bcd6i_31i_7i:Li-Ni-O-P, expected Li10Ni15(P7O31)2 to be Li6Ni9(PO4)8" +mp-25823,LiNi2(PO3)5,-7.396052743,-2.4075292896,0.0455776699,0.0455776699,GGA+U,Pc,AB2C15D5_mP46_7_a_2a_15a_5a:Li-Ni-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_7_a_4a_28a_10a:Li-Ni-O-P, expected LiNi4(P5O14)2 to be LiNi2(PO3)5" +mp-859103,LiNi2(PO3)5,-7.3540216554,-2.365498202,0.0876087575,0.0876087575,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Li-Ni-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_5e12f_e4f:Li-Ni-O-P, expected LiNi2P9O29 to be LiNi2(PO3)5" +mp-26480,LiNiP2O7,-7.1085552477,-2.2774201987,0.0706916002,0.0706916002,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Ni-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Ni-O-P +mp-32314,LiNiP2O7,-7.1186877857,-2.2875527367,0.0605590623,0.0605590623,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Li-Ni-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Li-Ni-O-P +mp-752902,LiNiP2O7,-7.0908421405,-2.2597070915,0.0884047075,0.0884047075,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Li-Ni-O-P, expected LiNiP3O13 to be LiNiP2O7" +mp-26449,LiNiP2O7,-7.1302010055,-2.2990659565,0.0490458425,0.0490458425,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_14i_4i:Li-Ni-O-P, expected LiNi(P2O7)2 to be LiNiP2O7" +mp-753784,LiNiP2O7,-7.1028596495,-2.2717246006,0.0763871984,0.0763871984,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Li-Ni-O-P, expected LiNiP3O13 to be LiNiP2O7" +mp-1101598,LiNiP2O7,-7.1086748827,-2.2775398337,0.0705719652,0.0705719652,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_12i_2i:Li-Ni-O-P, expected LiNi(PO6)2 to be LiNiP2O7" +mp-765560,LiNiP2O7,-7.0794399723,-2.2483049233,0.0998068757,0.0998068757,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_13a_3a:Li-Ni-O-P, expected LiNiP3O13 to be LiNiP2O7" +mp-26007,LiNiP2O7,-7.0765102391,-2.2453751901,0.1027366089,0.1027366089,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_14a_3a:Li-Ni-O-P, expected LiNiP3O14 to be LiNiP2O7" +mp-26231,LiNiP2O7,-7.1148192355,-2.2836841865,0.0644276125,0.0644276125,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Li-Ni-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Li-Ni-O-P, expected LiNiP2O11 to be LiNiP2O7" +mp-766087,LiNiP2O7,-7.0974797116,-2.2663446626,0.0817671364,0.0817671364,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_3a_2a_28a_8a:Li-Ni-O-P, expected Li3Ni2(P2O7)4 to be LiNiP2O7" +mp-26162,LiNiP2O7,-6.9979994641,-2.1668644151,0.1812473839,0.1812473839,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_14a_3a:Li-Ni-O-P, expected LiNiP3O14 to be LiNiP2O7" +mp-757243,LiNiP2O7,-7.1052574139,-2.2741223649,0.0739894341,0.0739894341,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Li-Ni-O-P, expected LiNiP3O25 to be LiNiP2O7" +mp-705331,LiNiP2O7,-7.063239218,-2.232104169,0.11600763,0.11600763,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_5e:Li-Ni-O-P, expected LiNiP5O24 to be LiNiP2O7" +mp-26345,LiNiP2O7,-7.1152570898,-2.2841220408,0.0639897582,0.0639897582,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_4e:Li-Ni-O-P, expected LiNiP4O27 to be LiNiP2O7" +mp-705295,LiNiP2O7,-7.0774431534,-2.2463081044,0.1018036946,0.1018036946,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Li-Ni-O-P, expected LiNi(PO5)5 to be LiNiP2O7" +mp-26785,LiNiP2O7,-7.0969753325,-2.2658402835,0.0822715155,0.0822715155,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Li-Ni-O-P, expected LiNiP4O25 to be LiNiP2O7" +mp-32396,LiNiP2O7,-7.0758330414,-2.2446979924,0.1034138066,0.1034138066,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_28e_4e:Li-Ni-O-P, expected LiNi(PO7)4 to be LiNiP2O7" +mp-759982,LiNiP2O7,-7.0959368973,-2.2648018483,0.0833099507,0.0833099507,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_5f:Li-Ni-O-P, expected LiNi(PO5)5 to be LiNiP2O7" +mp-26211,LiNiP2O7,-7.120482197,-2.2893471481,0.0587646509,0.0587646509,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Li-Ni-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_6f:Li-Ni-O-P, expected LiNiP6O25 to be LiNiP2O7" +mp-867606,LiNi(PO3)4,-7.2668556297,-2.3389370681,0.0871749588,0.0871749588,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Ni-O-P, expected LiNiP7O23 to be LiNi(PO3)4" +mp-867629,LiNi(PO3)4,-7.2622177883,-2.3342992268,0.0918128002,0.0918128002,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Ni-O-P, expected LiNiP7O23 to be LiNi(PO3)4" +mp-32352,LiNi(PO3)4,-7.2848914111,-2.3569728495,0.0691391774,0.0691391774,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_24a_6a:Li-Ni-O-P, expected LiNi(PO4)6 to be LiNi(PO3)4" +mp-26685,LiNi(PO3)4,-7.2790303039,-2.3511117423,0.0750002846,0.0750002846,GGA+U,C2/m,ABC12D4_mC72_12_i_e_gi5j_2j:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_i_e_h2i9j_2j:Li-Ni-O-P, expected LiNiP4O21 to be LiNi(PO3)4" +mp-867684,LiNi(PO3)4,-7.2738325961,-2.3459140345,0.0801979924,0.0801979924,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Ni-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Li-Ni-O-P, expected LiNiP13O45 to be LiNi(PO3)4" +mp-867949,LiNi(PO3)4,-7.2671306824,-2.3392121208,0.0868999061,0.0868999061,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Ni-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Li-Ni-O-P, expected LiNiP15O47 to be LiNi(PO3)4" +mp-765568,LiNi(PO3)4,-7.2552835644,-2.3273650029,0.098747024,0.098747024,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Li-Ni-O-P, expected LiNi(P5O21)2 to be LiNi(PO3)4" +mp-26141,LiNi(PO3)4,-7.3186895458,-2.3907709843,0.0353410427,0.0353410427,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_21f_7f:Li-Ni-O-P, expected LiNi(PO3)14 to be LiNi(PO3)4" +mp-859115,LiNi(PO3)4,-7.2811187239,-2.3532001623,0.0729118646,0.0729118646,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_17f_5f:Li-Ni-O-P, expected LiNi(P5O17)2 to be LiNi(PO3)4" +mp-1176606,LiNi(PO3)4,-7.3120467469,-2.3841281854,0.0419838415,0.0419838415,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_23f_5f:Li-Ni-O-P, expected LiNi(P5O23)2 to be LiNi(PO3)4" +mp-1176623,LiNi(PO3)4,-7.2988595889,-2.3709410273,0.0551709996,0.0551709996,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Ni-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_3f:Li-Ni-O-P, expected LiNi(PO7)6 to be LiNi(PO3)4" +mp-695783,LiNi(PO3)4,-7.2995620969,-2.3716435354,0.0544684915,0.0544684915,GGA+U,P2_12_12_1,ABC12D4_oP72_19_a_a_12a_4a:Li-Ni-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_19_a_a_47a_14a:Li-Ni-O-P, expected LiNiP14O47 to be LiNi(PO3)4" +mp-863439,LiNi(PO3)4,-7.2735531317,-2.3456345701,0.0804774568,0.0804774568,GGA+U,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Li-Ni-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_23c_2ab6c:Li-Ni-O-P, expected Li2Ni2P15O46 to be LiNi(PO3)4" +mp-25979,LiNi(PO3)4,-7.3113583768,-2.3834398152,0.0426722117,0.0426722117,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Li-Ni-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_24d_7d:Li-Ni-O-P, expected LiNi(P7O24)2 to be LiNi(PO3)4" +mp-759146,Li2NiP3O10,-7.0830995059,-2.3765509406,0.0827524442,0.0827524442,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Li-Ni-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_7e6f_5e:Li-Ni-O-P, expected Li2NiP5O19 to be Li2NiP3O10" +mp-32389,LiNi2P3O11,-7.0981290926,-2.1497361767,0.093724718,0.093724718,GGA+U,C2,AB2C11D3_mC68_5_c_2c_ab10c_ab2c:Li-Ni-O-P,34.0,"Invalid WP multiplicities - AB2C11D3_mC68_5_c_2c_ab19c_ab4c:Li-Ni-O-P, expected LiNi2(PO4)5 to be LiNi2P3O11" +mp-504371,LiNi6P7O24,-7.3645002059,-2.2802004806,0.0130126646,0.0130126646,GGA+U,P2_1/m,AB6C24D7_mP76_11_e_3f_2e11f_e3f:Li-Ni-O-P,76.0,"Invalid WP multiplicities - AB6C24D7_mP76_11_e_10f_4e41f_2e10f:Li-Ni-O-P, expected LiNi20(P11O43)2 to be LiNi6P7O24" +mp-26192,LiNi2P5O16,-7.2679317617,-2.2811514225,0.069742747,0.069742747,GGA+U,Pc,AB2C16D5_mP48_7_a_2a_16a_5a:Li-Ni-O-P,48.0,"Invalid WP multiplicities - AB2C16D5_mP48_7_a_2a_31a_9a:Li-Ni-O-P, expected LiNi2P9O31 to be LiNi2P5O16" +mp-26313,Li4Ni5(P3O11)2,-7.1596531139,-2.3530763152,0.0230726896,0.0230726896,GGA+U,P2_1/c,A4B5C22D6_mP74_14_2e_a2e_11e_3e:Li-Ni-O-P,74.0,"Invalid WP multiplicities - A4B5C22D6_mP74_14_5e_2a6e_40e_9e:Li-Ni-O-P, expected Li5Ni7P9O40 to be Li4Ni5(P3O11)2" +mp-867543,Li7Ni2P7O24,-6.9688501887,-2.4304406877,0.0913871509,0.0913871509,GGA+U,P2/c,A7B2C24D7_mP80_13_e3g_g_12g_f3g:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A7B2C24D7_mP80_13_e10g_g_41g_f5g:Li-Ni-O-P, expected Li21Ni2P11O82 to be Li7Ni2P7O24" +mp-27080,LiNi3P4O15,-7.0774552711,-2.0729825058,0.117871898,0.117871898,GGA+U,Pc,AB3C15D4_mP92_7_2a_6a_30a_8a:Li-Ni-O-P,92.0,"Invalid WP multiplicities - AB3C15D4_mP92_7_2a_11a_58a_15a:Li-Ni-O-P, expected Li2Ni11P15O58 to be LiNi3P4O15" +mp-861148,LiNi5P3O13,-7.0971381116,-2.0354805192,0.0764025156,0.0764025156,GGA+U,P-1,AB5C13D3_aP44_2_i_5i_13i_3i:Li-Ni-O-P,44.0,"Invalid WP multiplicities - AB5C13D3_aP44_2_i_9i_25i_5i:Li-Ni-O-P, expected LiNi9(PO5)5 to be LiNi5P3O13" +mp-705375,LiNi4P7O24,-7.2113055051,-2.1656633884,0.0846295903,0.0846295903,GGA+U,P-1,AB4C24D7_aP72_2_i_4i_24i_7i:Li-Ni-O-P,72.0,"Invalid WP multiplicities - AB4C24D7_aP72_2_i_8i_47i_14i:Li-Ni-O-P, expected LiNi8P14O47 to be LiNi4P7O24" +mp-863418,LiNi4(PO4)3,-7.1733965737,-2.1419144917,0.0592847019,0.0592847019,GGA+U,P-1,AB4C12D3_aP40_2_i_4i_12i_3i:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_aP40_2_i_7i_23i_5i:Li-Ni-O-P, expected LiNi7P5O23 to be LiNi4(PO4)3" +mp-861753,LiNi4(PO4)3,-7.1790866264,-2.1476045443,0.0535946493,0.0535946493,GGA+U,Pm,AB4C12D3_mP80_6_3ab_2a2b6c_12a12b12c_6a6b:Li-Ni-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_mP80_6_3ab_2a2b7c_12a12b23c_6a6b:Li-Ni-O-P, expected Li2Ni9P6O35 to be LiNi4(PO4)3" +mp-861623,LiNi4(PO4)3,-7.184654319,-2.1531722369,0.0480269566,0.0480269566,GGA+U,Cc,AB4C12D3_mC80_9_a_4a_12a_3a:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_mC80_9_a_6a_24a_3a:Li-Ni-O-P, expected LiNi6(PO8)3 to be LiNi4(PO4)3" +mp-861137,LiNi4(PO4)3,-7.1766794675,-2.1451973854,0.0560018081,0.0560018081,GGA+U,C2/c,AB4C12D3_mC80_15_e_2ef_6f_ef:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_mC80_15_e_3e2f_21f_e2f:Li-Ni-O-P, expected LiNi7P5O42 to be LiNi4(PO4)3" +mp-759135,LiNi4(PO4)3,-7.1846204273,-2.1531383452,0.0480608484,0.0480608484,GGA+U,Cmc2_1,AB4C12D3_oC80_36_a_2ab_6a3b_3a:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_oC80_36_a_4a2b_12a6b_6a:Li-Ni-O-P, expected LiNi8(PO4)6 to be LiNi4(PO4)3" +mp-757516,LiNi4(PO4)3,-7.1361746609,-2.1046925788,0.0965066148,0.0965066148,GGA+U,Pccn,AB4C12D3_oP80_56_c_2e_6e_de:Li-Ni-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_56_c_5e_21e_2d3e:Li-Ni-O-P, expected LiNi10(P4O21)2 to be LiNi4(PO4)3" +mp-861635,LiNi4(PO4)3,-7.1837215222,-2.1522394402,0.0489597534,0.0489597534,GGA+U,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:Li-Ni-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_58_g_7g2h_22g10h_11g:Li-Ni-O-P, expected LiNi11P11O42 to be LiNi4(PO4)3" +mp-757510,LiNi4(PO4)3,-7.1128894181,-2.081407336,0.1197918575,0.1197918575,GGA+U,Pnma,AB4C12D3_oP80_62_c_2d_2c5d_cd:Li-Ni-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_62_c_5d_6c19d_3c2d:Li-Ni-O-P, expected LiNi10P7O44 to be LiNi4(PO4)3" +mp-26511,LiNi4(PO4)3,-7.2054299283,-2.1739478462,0.0272513474,0.0272513474,GGA+U,I-42d,AB4C12D3_tI80_122_a_cd_3e_bd:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_tI80_122_a_3c3d_15e_2b2d:Li-Ni-O-P, expected LiNi12(PO10)6 to be LiNi4(PO4)3" +mp-1094143,LiNi3P3O13,-6.9054221592000005,-1.9156124756,0.1407301588,0.1407301588,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Li-Ni-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Li-Ni-O-P, expected LiNi5P3O34 to be LiNi3P3O13" +mp-729639,Li2Ni5(PO4)4,-5.1717780174,-0.2266388122,2.0173086357,2.0173086357,GGA+U,P-1,A2B5C16D4_aP27_2_i_a2i_8i_2i:Li-Ni-O-P,27.0,"Invalid WP multiplicities - A2B5C16D4_aP27_2_i_a3i_15i_3i:Li-Ni-O-P, expected Li2Ni7(PO5)6 to be Li2Ni5(PO4)4" +mp-859106,Li3Ni2(PO3)7,-7.2595438111,-2.4395249492,0.0905002776,0.0905002776,GGA+U,P-1,A3B2C21D7_aP66_2_3i_2i_21i_7i:Li-Ni-O-P,66.0,"Invalid WP multiplicities - A3B2C21D7_aP66_2_5i_3i_41i_13i:Li-Ni-O-P, expected Li5Ni3P13O41 to be Li3Ni2(PO3)7" +mp-26191,Li3Ni2P5O16,-7.2424682194,-2.4924461474,0.0144032351,0.0144032351,GGA+U,P2/c,A3B2C16D5_mP52_13_eg_g_8g_f2g:Li-Ni-O-P,52.0,"Invalid WP multiplicities - A3B2C16D5_mP52_13_2e3g_g_29g_2f7g:Li-Ni-O-P, expected Li4NiP8O29 to be Li3Ni2P5O16" +mp-859119,Li4Ni(PO3)6,-7.1982863976,-2.5453195014,0.0596624696,0.0596624696,GGA+U,P1,A4BC18D6_aP29_1_4a_a_18a_6a:Li-Ni-O-P,29.0,A4BC18D6_aP29_1_4a_a_18a_6a:Li-Ni-O-P +mp-863422,Li4Ni(PO3)6,-7.1856776097,-2.5327107135,0.0722712575,0.0722712575,GGA+U,C2/c,A4BC18D6_mC116_15_2f_e_9f_3f:Li-Ni-O-P,58.0,"Invalid WP multiplicities - A4BC18D6_mC116_15_3f_e_33f_5f:Li-Ni-O-P, expected Li6Ni(P5O33)2 to be Li4Ni(PO3)6" +mp-705432,Li6Ni5(P2O7)4,-7.1377207865,-2.410743668,0.038332059,0.038332059,GGA+U,P-1,A6B5C28D8_aP94_2_ab5i_5i_28i_8i:Li-Ni-O-P,94.0,"Invalid WP multiplicities - A6B5C28D8_aP94_2_ab9i_9i_55i_13i:Li-Ni-O-P, expected Li10Ni9P13O55 to be Li6Ni5(P2O7)4" +mp-504236,Li3Ni3(PO4)4,-6.9422666544,-2.1781355756,0.0925304512,0.0925304512,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Ni-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Ni-O-P +mp-26263,Li3Ni3(PO4)4,-6.9467479346,-2.1826168559,0.088049171,0.088049171,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Li-Ni-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_4a_29a_6a:Li-Ni-O-P, expected Li5Ni4P6O29 to be Li3Ni3(PO4)4" +mp-26525,Li3Ni3(PO4)4,-6.9557397337,-2.1916086549,0.0790573719,0.0790573719,GGA+U,C2/c,A3B3C16D4_mC104_15_ef_cf_8f_2f:Li-Ni-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_2e3f_af_31f_6f:Li-Ni-O-P, expected Li8Ni3(P6O31)2 to be Li3Ni3(PO4)4" +mp-540518,Li4Ni3P4O15,-7.0460587163,-2.3987647854,0.0351703942,0.0351703942,GGA+U,Pna2_1,A4B3C15D4_oP104_33_4a_3a_15a_4a:Li-Ni-O-P,104.0,"Invalid WP multiplicities - A4B3C15D4_oP104_33_13a_9a_57a_13a:Li-Ni-O-P, expected Li13Ni9P13O57 to be Li4Ni3P4O15" +mp-779757,LiNi4(P2O7)3,-7.1735568269,-2.1301272155,0.1144198876,0.1144198876,GGA+U,P2_1/c,AB4C21D6_mP128_14_e_4e_21e_6e:Li-Ni-O-P,128.0,"Invalid WP multiplicities - AB4C21D6_mP128_14_e_7e_81e_21e:Li-Ni-O-P, expected LiNi7(P7O27)3 to be LiNi4(P2O7)3" +mp-757823,LiNi(PO3)3,-7.3375427946,-2.4483166898,0.0506550286,0.0485033373,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_11i:Li-Ni-O-P, expected Li3Ni3P11O35 to be LiNi(PO3)3" +mp-759771,LiNi(PO3)3,-7.3389129957,-2.4496868909,0.0492848275,0.0471331362,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Li-Ni-O-P, expected LiNiP5O17 to be LiNi(PO3)3" +mp-540447,LiNi(PO3)3,-7.3598014604,-2.4705753555,0.0283963629,0.0262446715,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Li-Ni-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Li-Ni-O-P, expected LiNiP5O17 to be LiNi(PO3)3" +mp-26027,LiNi(PO3)3,-7.3871129107,-2.4978868059,0.0010849125,-0.0010667788,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_12i:Li-Ni-O-P, expected Li3Ni3P12O35 to be LiNi(PO3)3" +mp-863419,LiNi(PO3)3,-7.294912623,-2.4056865182,0.0932852002,0.0911335089,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Ni-O-P, expected LiNi(P3O11)3 to be LiNi(PO3)3" +mp-860885,LiNi(PO3)3,-7.2978793611,-2.4086532562,0.0903184621,0.0881667708,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Ni-O-P, expected LiNi(P3O11)3 to be LiNi(PO3)3" +mp-860888,LiNi(PO3)3,-7.3123013034,-2.4230751985,0.0758965198,0.0737448285,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Ni-O-P, expected LiNi(P3O11)3 to be LiNi(PO3)3" +mp-26001,LiNi(PO3)3,-7.3881978232,-2.4989717184,0.0,-0.0021516913,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Ni-O-P, expected LiNi(P3O11)3 to be LiNi(PO3)3" +mp-1176610,LiNi(PO3)3,-7.3873744771,-2.4981483723,0.0008233461,-0.0013283452,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Ni-O-P, expected LiNi(P3O11)3 to be LiNi(PO3)3" +mp-25927,LiNi(PO3)3,-7.3597902886,-2.4705641837,0.0284075346,0.0262558433,GGA+U,Pbcm,ABC9D3_oP56_57_d_a_d4e_ce:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_d_a_2d6e_2c2e:Li-Ni-O-P, expected LiNi(P3O7)2 to be LiNi(PO3)3" +mp-859104,LiNi(PO3)3,-7.3362316404,-2.4470055355,0.0519661829,0.0498144915,GGA+U,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Li-Ni-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_62_c_c_10c11d_2c3d:Li-Ni-O-P, expected LiNi(PO4)8 to be LiNi(PO3)3" +mp-26841,LiNi(PO3)3,-7.3594768707,-2.4702507659,0.0287209525,0.0265692612,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Li-Ni-O-P,14.0,"Invalid WP multiplicities - ABC9D3_hR42_146_a_a_7b_b:Li-Ni-O-P, expected LiNi(PO7)3 to be LiNi(PO3)3" +mp-859117,LiNi(PO3)3,-7.3338943496,-2.4446682448,0.0543034736,0.0521517823,GGA+U,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Li-Ni-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Li-Ni-O-P +mp-1013987,LiNi2P2O9,-6.8324973691,-1.9170688233,0.1432686735,0.1432686735,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Li-Ni-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Li-Ni-O-P, expected LiNi2P2O11 to be LiNi2P2O9" +mp-753843,LiNi2(PO4)2,-7.0841815469,-2.1711576292,0.0476673674,0.0476673674,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Li-Ni-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_14_a_e_14e_e:Li-Ni-O-P, expected LiNi2(PO14)2 to be LiNi2(PO4)2" +mp-766210,LiNi2(PO4)2,-7.0358070883,-2.1227831706,0.096041826,0.096041826,GGA+U,Pc,AB2C8D2_mP52_7_2a_4a_16a_4a:Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_7_2a_4a_32a_4a:Li-Ni-O-P, expected LiNi2(PO8)2 to be LiNi2(PO4)2" +mp-766097,LiNi2(PO4)2,-7.0417948535,-2.1287709358,0.0900540608,0.0900540608,GGA+U,Pca2_1,AB2C8D2_oP52_29_a_2a_8a_2a:Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_oP52_29_a_5a_29a_5a:Li-Ni-O-P, expected LiNi5P5O29 to be LiNi2(PO4)2" +mp-504139,Li3Ni2(PO4)3,-6.8978138184,-2.2534531176,0.0825327546,0.0825327546,GGA+U,C2,A3B2C12D3_mC160_5_6c_2a2b2c_24c_6c:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mC160_5_9c_2a2b2c_48c_12c:Li-Ni-O-P, expected Li9Ni4(PO4)12 to be Li3Ni2(PO4)3" +mp-705397,Li3Ni2(PO4)3,-6.8701284235,-2.2257677228,0.1102181495,0.1102181495,GGA+U,C2,A3B2C12D3_mC160_5_6c_2a2b2c_24c_6c:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mC160_5_10c_2a2b4c_47c_11c:Li-Ni-O-P, expected Li10Ni6P11O47 to be Li3Ni2(PO4)3" +mp-26679,Li3Ni2(PO4)3,-6.905712557,-2.2613518562,0.074634016,0.074634016,GGA+U,C2/m,A3B2C12D3_mC80_12_3i_aci_6i3j_3i:Li-Ni-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_12_5i_ad2i_11i11j_4i:Li-Ni-O-P, expected Li5Ni3P4O33 to be Li3Ni2(PO4)3" +mp-26437,Li3Ni2(PO4)3,-6.9107227709,-2.2663620701,0.0696238021,0.0696238021,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_3e_47e_10e:Li-Ni-O-P, expected Li9Ni3P10O47 to be Li3Ni2(PO4)3" +mp-504271,Li3Ni2(PO4)3,-6.9054838884,-2.2611231876,0.0748626846,0.0748626846,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_8e_4e_47e_8e:Li-Ni-O-P, expected Li8Ni4P8O47 to be Li3Ni2(PO4)3" +mp-1177557,Li3Ni2(PO4)3,-6.9059365254,-2.2615758246,0.0744100476,0.0744100476,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Ni-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_3e_45e_9e:Li-Ni-O-P, expected Li3Ni(PO5)3 to be Li3Ni2(PO4)3" +mp-25847,Li3Ni2(PO4)3,-6.903732464,-2.2593717632,0.076614109,0.076614109,GGA+U,C2/c,A3B2C12D3_mC80_15_a2e_f_6f_ef:Li-Ni-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_2a4e_f_20f_e2f:Li-Ni-O-P, expected Li6Ni2(PO8)5 to be Li3Ni2(PO4)3" +mp-26275,Li3Ni2(PO4)3,-6.9185738212,-2.2742131205,0.0617727518,0.0617727518,GGA+U,R-3,A3B2C12D3_hR120_148_f_2c_4f_f:Li-Ni-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_hR120_148_f_3c_20f_f:Li-Ni-O-P, expected LiNiPO20 to be Li3Ni2(PO4)3" +mp-26369,Li4Ni(PO4)2,-6.8081681395,-2.5537719495,0.019272509,0.019272509,GGA+U,P2_1/c,A4BC8D2_mP60_14_4e_e_8e_2e:Li-Ni-O-P,60.0,"Invalid WP multiplicities - A4BC8D2_mP60_14_11e_e_28e_7e:Li-Ni-O-P, expected Li11Ni(PO4)7 to be Li4Ni(PO4)2" +mp-1046419,SrCaCo(PO4)2,-7.6334443473,-2.9254808218,0.0280478319,0.0280478319,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Co-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Co-O-P-Sr, expected SrCaCo(PO7)2 to be SrCaCo(PO4)2" +mp-1347707,SrCaCo(PO4)2,-4.3684637731,0.3394997524,3.2930284062,3.2930284062,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Co-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Co-O-P-Sr, expected SrCaCo(PO7)2 to be SrCaCo(PO4)2" +mp-2713956,NbSn(PO4)3,-7.9773709458,-2.7002504193,0.0,-0.0064786436,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Nb-O-P-Sn,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Nb-O-P-Sn, expected NbSn(PO12)3 to be NbSn(PO4)3" +mp-759486,LiNbSn3(PO4)6,-7.5984526666,-2.5916158785,0.0211835985,0.0211835985,GGA,P1,ABC24D6E3_aP35_1_a_a_24a_6a_3a:Li-Nb-O-P-Sn,35.0,ABC24D6E3_aP35_1_a_a_24a_6a_3a:Li-Nb-O-P-Sn +mp-767091,LiNbSn3(PO4)6,-7.6072649794,-2.6004281914,0.0123712857,0.0123712857,GGA,R3,ABC24D6E3_hR105_146_a_a_8b_2b_3a:Li-Nb-O-P-Sn,35.0,"Invalid WP multiplicities - ABC24D6E3_hR105_146_a_a_20b_2b_3a:Li-Nb-O-P-Sn, expected LiNbSn3(PO10)6 to be LiNbSn3(PO4)6" +mp-1214658,Ba6Na2V2Sb2O17,-7.0252814828,-2.7260255194000003,0.0,-0.0047598146,GGA+U,P6_3/mmc,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Sb-V,58.0,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Sb-V +mp-557781,Rb5CeNi2(NO2)12,-6.5646921182,-1.0839080035,0.2392391901,0.2392391901,GGA+U,Pn-3,AB12C2D24E5_cP88_201_a_h_b_2h_cd:Ce-N-Ni-O-Rb,88.0,"Invalid WP multiplicities - AB12C2D24E5_cP88_201_a_h_b_26h_3c3d:Ce-N-Ni-O-Rb, expected Rb15CeNi2(NO26)12 to be Rb5CeNi2(NO2)12" +mp-1196286,Rb3Ni2(NO3)7,-6.513531442,-1.1578404424,0.0,-0.0135641839,GGA+U,Pnma,A7B2C21D3_oP132_62_c3d_d_c10d_cd:N-Ni-O-Rb,132.0,A7B2C21D3_oP132_62_c3d_d_c10d_cd:N-Ni-O-Rb +mp-568863,LiEu2CBr3N2,-7.5927760611,-1.7057019723,0.0,-0.0265870165,GGA,Fd-3m,A3BC2DE2_cF144_227_f_c_e_d_e:Br-C-Eu-Li-N,36.0,A3BC2DE2_cF144_227_f_c_e_d_e:Br-C-Eu-Li-N +mp-6854,Cs2LiMn(CN)6,-7.6511206012,-0.2603265133,0.1051210948,0.1051210948,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Li-Mn-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Li-Mn-N +mp-558016,CaMgAsO4F,-6.6365286281,-2.8911246097000003,0.0002491694,-0.0287990159,GGA,Cc,ABCDE4_mC32_9_a_a_a_a_4a:As-Ca-F-Mg-O,16.0,"Invalid WP multiplicities - ABCDE4_mC32_15_e_e_e_c_5f:As-Ca-F-Mg-O, expected CaMgAsO10F to be CaMgAsO4F" +mp-7035,CaMgAsO4F,-6.6367777975,-2.8913737791000003,0.0,-0.0290481853,GGA,C2/c,ABCDE4_mC32_15_e_e_e_a_2f:As-Ca-F-Mg-O,16.0,"Invalid WP multiplicities - ABCDE4_mC32_15_e_e_e_c_3f:As-Ca-F-Mg-O, expected CaMgAsO6F to be CaMgAsO4F" +mp-557482,Ca5As3O12F,-6.8958653783,-2.8350511823,0.0,-0.0222692253,GGA,P-1,A3B5CD12_aP42_2_3i_5i_i_12i:As-Ca-F-O,42.0,"Invalid WP multiplicities - A3B5CD12_aP42_2_5i_6i_i_22i:As-Ca-F-O, expected Ca6As5O22F to be Ca5As3O12F" +mp-1190527,Dy2ZnTe2(SO7)2,-6.8681613605,-2.3783294191,0.0002553575,0.0002553575,GGA,P-1,A2B14C2D2E_aP21_2_i_7i_i_i_a:Dy-O-S-Te-Zn,21.0,A2B14C2D2E_aP21_2_i_7i_i_i_a:Dy-O-S-Te-Zn +mp-1193407,Dy2ZnS4,-5.8434753118,-1.9836014893,0.0130956862,0.0130956862,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Dy-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Dy-S-Zn +mp-1217583,Ti2VNi9,-6.7872953979,-0.3792853793,0.0232926175,0.0232926175,GGA,P-6m2,A9B2C_hP48_187_jk5n_g3i_adh:Ni-Ti-V,48.0,"Invalid WP multiplicities - A9B2C_hP48_187_3j3k25n_g6i_ad2h:Ni-Ti-V, expected Ti7(VNi28)3 to be Ti2VNi9" +mp-1177257,Li4Ti3V3(NiO8)2,-7.9267516054,-2.5952809458,0.0525368487,0.0525368487,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Ni-O-Ti-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Ni-O-Ti-V, expected Li4Ti3V3(NiO10)2 to be Li4Ti3V3(NiO8)2" +mp-768714,Li4Ti2V3Ni3O16,-7.6285538696,-2.372631615,0.0643484452,0.0643484452,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Ti-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Ti-V +mp-767907,Li4Ti4V4NiO18,-8.234945078500001,-2.7390154884,0.0767245537,0.0767245537,GGA+U,Pbam,A4BC18D4E4_oP62_55_2g_a_4g5h_gh_gh:Li-Ni-O-Ti-V,62.0,"Invalid WP multiplicities - A4BC18D4E4_oP62_55_5g_a_12g20h_3g2h_3g2h:Li-Ni-O-Ti-V, expected Li10Ti10V10NiO64 to be Li4Ti4V4NiO18" +mp-776519,Li4Ti3V2Ni3O16,-7.6900209293,-2.4765420337,0.0698697075,0.0698697075,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Ti-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Ni-O-Ti-V, expected Li4Ti3V2Ni3O20 to be Li4Ti3V2Ni3O16" +mp-559026,MnV2TeO7,-8.1049368573,-2.1867591933,0.0,-0.0210386593,GGA+U,P-1,AB7CD2_aP22_2_i_7i_i_2i:Mn-O-Te-V,22.0,"Invalid WP multiplicities - AB7CD2_aP22_2_i_14i_i_3i:Mn-O-Te-V, expected MnV3TeO14 to be MnV2TeO7" +mp-772284,Mn3V3(TeO8)2,-7.7712090712,-1.930734269,0.1184913877,0.1184913877,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Mn-O-Te-V,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Mn-O-Te-V +mp-1177458,Li4Mn3V3(TeO8)2,-7.4110142432,-2.1321897175,0.0813258781,0.0813258781,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Te-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Te-V +mp-753718,Li4Mn3V3(TeO8)2,-7.3866832332,-2.1078587075,0.1056568881,0.1056568881,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Te-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Mn-O-Te-V, expected Li4Mn3V3(TeO10)2 to be Li4Mn3V3(TeO8)2" +mp-1519687,BaCrInWO6,-7.931132227,-2.2349353632,0.1702939976,0.1702939976,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-In-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-In-O-W +mp-1044303,MgTiCr(PO4)3,-8.1635264956,-2.8996936294,0.0021816893,0.0021816893,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Cr-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Cr-Mg-O-P-Ti, expected MgTiCr(PO18)3 to be MgTiCr(PO4)3" +mp-777461,Li4V3Cr2Sn3O16,-7.5013632436,-2.3096046878,0.0455360837,0.0455360837,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Cr-Li-O-Sn-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Cr-Li-O-Sn-V +mp-777670,Li4V3Cr3(SnO8)2,-7.7814138343,-2.388102578,0.0,-0.0014066852,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cr-Li-O-Sn-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cr-Li-O-Sn-V +mp-774669,Li4V2Cr3Sn3O16,-7.5081180321,-2.2960329978000003,0.0453270405,0.0453270405,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-Sn-V,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-Sn-V, expected Li4V2Cr3Sn3O20 to be Li4V2Cr3Sn3O16" +mp-1214664,Ba6Na2Ta2V2O17,-7.9106528653,-3.0783778406,0.0,-0.0150833483,GGA+U,P6_3/mmc,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Ta-V,58.0,A6B2C17D2E2_hP58_194_ab2f_e_fh2k_f_f:Ba-Na-O-Ta-V +mp-997599,Na8Ta7VO24,-8.477950923,-2.9432239006,0.0400665264,0.0400665264,GGA+U,Pm-3m,A8B24C7D_cP40_221_g_efh_acd_b:Na-O-Ta-V,40.0,"Invalid WP multiplicities - A8B24C7D_cP40_221_g_5e5f6h_a2c2d_b:Na-O-Ta-V, expected Na8Ta13VO132 to be Na8Ta7VO24" +mp-2229378,MgZn2Co2(PO5)2,-6.7930828865,-2.1677949461,0.1485808176,0.1485808176,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-P-Zn,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:Co-Mg-O-P-Zn +mp-2229646,MgZn2Co2(PO5)2,-6.8292670847,-2.2039791444,0.1123966194,0.1123966194,GGA+U,P-1,A2BC10D2E2_aP17_2_ab_d_5i_i_i:Co-Mg-O-P-Zn,17.0,"Invalid WP multiplicities - A2BC10D2E2_aP17_2_ab_d_9i_i_i:Co-Mg-O-P-Zn, expected MgZn2Co2(PO9)2 to be MgZn2Co2(PO5)2" +mp-1034819,Mg14SiBO16,-6.2633624644,-2.7116234056,0.2862593229,0.2862593229,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-Si, expected Mg18SiBO20 to be Mg14SiBO16" +mp-1099217,Mg14SiBO16,-6.2251758806,-2.6734368218,0.3244459067,0.3244459067,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-Si, expected Mg30SiBO32 to be Mg14SiBO16" +mp-1039876,Mg30SiBO32,-6.3012001316,-2.8885884119,0.1373731021,0.1373731021,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-Si, expected Mg90SiBO80 to be Mg30SiBO32" +mp-1039820,Mg30SiBO32,-6.2710762753,-2.8584645556,0.1674969583,0.1674969583,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-Si, expected Mg110SiBO72 to be Mg30SiBO32" +mp-1030828,Mg6SiBO8,-6.1255620594,-2.2955683224,0.6461568352,0.6461568352,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-Si, expected Mg6SiBO12 to be Mg6SiBO8" +mp-1030869,Mg6SiBO8,-6.1814190356,-2.3514252987,0.590299859,0.590299859,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-Si, expected Mg6SiBO12 to be Mg6SiBO8" +mp-1210080,NdMg(BO2)5,-8.3483022191,-3.0993449574,0.0,-0.0080281954,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-Mg-Nd-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-Mg-Nd-O +mp-1220077,NdSiBO5,-8.6028401108,-3.4020525121,0.0,-0.0100953961,GGA,P3_1,ABC5D_hP24_144_a_a_5a_a:B-Nd-O-Si,24.0,ABC5D_hP24_144_a_a_5a_a:B-Nd-O-Si +mp-1196647,Nd13Mg2Si4B8O43,-8.3539591022,-3.3106662795,0.1242467847,0.1242467847,GGA,P2_1/m,A8B2C13D43E4_mP140_11_4e2f_f_3e5f_7e18f_2f:B-Mg-Nd-O-Si,140.0,A8B2C13D43E4_mP140_11_4e2f_f_3e5f_7e18f_2f:B-Mg-Nd-O-Si +mp-1104857,Sr3Li4(SiN3)2,-5.9465271027,-1.0416086069,0.0,-0.0180999709,GGA,C2/m,A4B6C2D3_mC30_12_j_ij_i_ah:Li-N-Si-Sr,15.0,A4B6C2D3_mC30_12_j_ij_i_ah:Li-N-Si-Sr +mp-978840,SrLi2(SiN2)2,-6.7465330419,-1.2238713812,0.0,-0.0054788311,GGA,Pa-3,A2B4C2D_cP108_205_d_2d_d_ac:Li-N-Si-Sr,108.0,A2B4C2D_cP108_205_d_2d_d_ac:Li-N-Si-Sr +mp-1218778,Sr2LiSiN3,-6.0948300407,-0.9915853867,0.106884435,0.106884435,GGA,C2,AB3CD2_mC56_5_2c_2a5c_2c_4c:Li-N-Si-Sr,28.0,"Invalid WP multiplicities - AB3CD2_mC56_5_4c_2a7c_4c_6c:Li-N-Si-Sr, expected Sr3Li2(SiN2)2 to be Sr2LiSiN3" +mp-1020592,Sr4Li2Si4N8O,-6.9653807534,-1.4961312914,0.0,-0.0211467046,GGA,P4/mnc,A2B8CD4E4_tP38_128_e_gh_a_h_h:Li-N-O-Si-Sr,38.0,A2B8CD4E4_tP38_128_e_gh_a_h_h:Li-N-O-Si-Sr +mp-1211967,KSr6Sc(SiO4)4,-7.6320949608,-3.4025192368,0.0,-0.0030264927,GGA,Pnma,AB16CD4E6_oP112_62_c_4c6d_c_2cd_2c2d:K-O-Sc-Si-Sr,112.0,AB16CD4E6_oP112_62_c_4c6d_c_2cd_2c2d:K-O-Sc-Si-Sr +mp-560535,K4Sr(SiO3)3,-6.8469567015,-2.910060129,0.0078572768,-0.0088211535,GGA,Ama2,A4B9C3D_oC68_40_2a2b_a2b3c_bc_b:K-O-Si-Sr,34.0,"Invalid WP multiplicities - A4B9C3D_oC68_40_4a4b_2a3b9c_b2c_b:K-O-Si-Sr, expected K8SrSi5O23 to be K4Sr(SiO3)3" +mp-1203391,K4Sr(SiO3)3,-6.8548139782,-2.9179174057,0.0,-0.0166784303,GGA,Pa-3,A4B9C3D_cP272_205_abc2d_6d_2d_2c:K-O-Si-Sr,272.0,A4B9C3D_cP272_205_abc2d_6d_2d_2c:K-O-Si-Sr +mp-557577,K3ScSi2O7,-7.2849395258,-3.0433146808,0.0,-0.0390756102,GGA,P6_3/mmc,A3B7CD2_hP26_194_bf_ck_a_f:K-O-Sc-Si,26.0,"Invalid WP multiplicities - A3B7CD2_hP26_194_2b2f_ck_a_f:K-O-Sc-Si, expected K6ScSi2O7 to be K3ScSi2O7" +mp-728491,K2ScSi2O7,-7.452857158,-2.9502968215000003,0.0728474054,0.0728474054,GGA,Pbam,A2B7CD2_oP96_55_2g2h_ef2g2h4i_i_2i:K-O-Sc-Si,96.0,A2B7CD2_oP96_55_2g2h_ef2g2h4i_i_2i:K-O-Sc-Si +mp-1198043,SrSc4Si5O17,-8.6946794761,-3.5746917682,0.002883635,0.002883635,GGA,P2_1/m,A17B4C5D_mP54_11_a2e7f_2f_e2f_e:O-Sc-Si-Sr,54.0,A17B4C5D_mP54_11_a2e7f_2f_e2f_e:O-Sc-Si-Sr +mp-1104758,ZnHgC4(SeN)4,-6.1528163786,-0.0236941246,0.1774464807,0.1774464807,GGA,I-4,A4BC4D4E_tI28_82_g_a_g_g_c:C-Hg-N-Se-Zn,14.0,A4BC4D4E_tI28_82_g_a_g_g_c:C-Hg-N-Se-Zn +mp-1408692,Zn2FeN2,-5.490841047,0.041658609,0.183485024,0.183485024,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-N-Zn,10.0,AB2C2_mC20_12_i_2i_2i:Fe-N-Zn +mp-1399099,Zn(FeN)2,-6.641082664,0.333472512,0.585181982,0.585181982,GGA,P-4m2,A2B2C_tP5_115_e_g_b:Fe-N-Zn,5.0,A2B2C_tP5_115_e_g_b:Fe-N-Zn +mp-1247210,CsZnN,-3.4558758183,0.0413378174,0.2271716788,0.2271716788,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-N-Zn,12.0,ABC_oP12_62_c_c_c:Cs-N-Zn +mp-1245596,CsZnN,-3.38698757,0.1102260657,0.2960599271,0.2960599271,GGA,P-6m2,ABC_hP3_187_c_a_b:Cs-N-Zn,3.0,ABC_hP3_187_c_a_b:Cs-N-Zn +mp-1246727,Zn8Fe3N8,-5.3275513958000005,0.0503418626,0.1707162324,0.1707162324,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-N-Zn,19.0,A3B8C8_mC38_12_ai_4i_4i:Fe-N-Zn +mp-1247479,Zn5FeN4,-4.6901758625,0.1212960335,0.208180921,0.208180921,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Fe-N-Zn,20.0,AB4C5_oP20_59_a_ef_bg:Fe-N-Zn +mp-579919,Cs2ZnN12,-7.0828986725,-0.2103328422,0.0162170537,0.0162170537,GGA,Pca2_1,A2B12C_oP60_29_2a_12a_a:Cs-N-Zn,60.0,"Invalid WP multiplicities - A2B12C_oP60_29_7a_45a_a:Cs-N-Zn, expected Cs7ZnN45 to be Cs2ZnN12" +mp-1247011,Zn3FeN3,-5.30023967,0.0224370179,0.1351499429,0.1351499429,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Fe-N-Zn,14.0,AB3C3_hP14_176_c_h_h:Fe-N-Zn +mp-10266,ZnFe3C,-7.167564614,0.0121299325,0.0246180048,0.0246180048,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Fe-Zn,5.0,AB3C_cP5_221_b_c_a:C-Fe-Zn +mp-570107,Zn3Fe2(CN)12,-7.9089022212,0.0738977188,0.2216043844,0.2216043844,GGA,R-3c,A12B2C12D3_hR174_167_2f_c_2f_e:C-Fe-N-Zn,58.0,"Invalid WP multiplicities - A12B2C12D3_hR174_167_19f_c_13f_e:C-Fe-N-Zn, expected Zn3Fe2(C19N13)6 to be Zn3Fe2(CN)12" +mp-570545,Cs2ZnFe(CN)6,-7.5863903887,-0.2794196344,0.0,-0.0166072763,GGA,Fm-3m,A6B2CD6E_cF64_225_e_c_a_e_b:C-Cs-Fe-N-Zn,16.0,A6B2CD6E_cF64_225_e_c_a_e_b:C-Cs-Fe-N-Zn +mp-1246188,Zn3(FeN2)2,-5.8666134872,0.1406368406,0.2982217461,0.2982217461,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Fe-N-Zn,18.0,A2B4C3_mC36_15_f_2f_ef:Fe-N-Zn +mp-1247519,ZnFe5N4,-7.6448976745,0.0506852615,0.3087394753,0.3087394753,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Fe-N-Zn,20.0,A5B4C_oP20_59_ag_ef_b:Fe-N-Zn +mp-560118,YMoClO4,-8.2400304879,-2.6761143838,0.0108423518,0.0108423518,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Mo-O-Y,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_i_i_4i2j_i:Cl-Mo-O-Y, expected YMoClO8 to be YMoClO4" +mp-1204562,Y2Mo(SeO4)3,-7.4512880194,-2.2498107247,0.0,-0.0902606783,GGA+U,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Mo-O-Se-Y,36.0,AB12C3D2_aP36_2_i_12i_3i_2i:Mo-O-Se-Y +mp-1045584,YMo3Se2ClO8,-7.4726127713,-1.6447933881,0.4551040285,0.4551040285,GGA+U,P1,AB3C8D2E_aP30_1_2a_6a_16a_4a_2a:Cl-Mo-O-Se-Y,30.0,AB3C8D2E_aP30_1_2a_6a_16a_4a_2a:Cl-Mo-O-Se-Y +mp-1103848,Y(Mo3Se4)2,-7.586485738,-0.9526414984,0.05259733,0.05259733,GGA,R-3,A6B8C_hR45_148_f_cf_a:Mo-Se-Y,15.0,A6B8C_hR45_148_f_cf_a:Mo-Se-Y +mp-2225560,BaMgCuS2,-4.326623668,-1.1483513892,0.454685582,0.454685582,GGA,Pm,ABCD2_mP5_6_a_b_a_2b:Ba-Cu-Mg-S,5.0,ABCD2_mP5_6_a_b_a_2b:Ba-Cu-Mg-S +mp-2210648,BaMgCuS2,-3.804058988,-0.6257867092,0.977250262,0.977250262,GGA,P4/mmm,ABCD2_tP5_123_a_d_b_e:Ba-Cu-Mg-S,5.0,ABCD2_tP5_123_a_d_b_e:Ba-Cu-Mg-S +mp-1096848,Ba2YCu3S7,-5.2883201469,-1.3223824491,0.1229946001,0.1229946001,GGA,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-S-Y,13.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cu-S-Y +mp-1103275,BaYCuS3,-6.1070732942,-1.9580729068,0.0,-0.07225707,GGA,Cmcm,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-S-Y,12.0,ABC3D_oC24_63_c_c_cf_a:Ba-Cu-S-Y +mp-2228540,Ba2YMgCu3S7,-5.0757970257,-1.2788348742,0.2602977963,0.2602977963,GGA,Pmmm,A2B3CD7E_oP14_47_l_ai_b_cijk_h:Ba-Cu-Mg-S-Y,14.0,A2B3CD7E_oP14_47_l_ai_b_cijk_h:Ba-Cu-Mg-S-Y +mp-1045630,YCu3(BiO3)4,-6.1909990795,-1.5166834706,0.1748717292,0.1748717292,GGA,Im-3,A4B3C12D_cI40_204_c_b_g_a:Bi-Cu-O-Y,20.0,A4B3C12D_cI40_204_c_b_g_a:Bi-Cu-O-Y +mp-550306,YCu2Bi2(SeO2)2,-6.2126601145,-1.746801886,0.0,-0.0487544556,GGA,I4/mmm,A2B2C4D2E_tI22_139_e_d_g_e_a:Bi-Cu-O-Se-Y,11.0,A2B2C4D2E_tI22_139_e_d_g_e_a:Bi-Cu-O-Se-Y +mp-1191386,BaCoAs2O7,-6.8741872802,-2.0585190508,0.0043120564,0.0043120564,GGA+U,P-1,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Co-O,44.0,A2BCD7_aP22_2_2i_i_i_7i:As-Ba-Co-O +mp-20563,Ba(CoAs)2,-5.706934382,-0.6161649140000001,0.0,-0.0940670743,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Co,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Co +mp-553000,BaCo2(AsO4)2,-6.9615156662,-1.9594112792,0.0138015388,-0.0131270715,GGA+U,P-1,A2BC2D8_aP13_2_i_a_i_4i:As-Ba-Co-O,13.0,"Invalid WP multiplicities - A2BC2D8_aP13_2_i_a_i_7i:As-Ba-Co-O, expected BaCo2(AsO7)2 to be BaCo2(AsO4)2" +mp-19143,BaCo2(AsO4)2,-6.975317205,-1.9732128181,0.0,-0.0269286104,GGA+U,R-3,A2BC2D8_hR39_148_c_a_c_cf:As-Ba-Co-O,26.0,A2BC2D8_hR39_148_c_a_c_cf:As-Ba-Co-O +mp-21918,Ba(Co5As3)2,-6.2397875994,-0.3011485806,0.0214012953,0.0214012953,GGA,Pnma,A6BC10_oP68_62_4cd_c_4c3d:As-Ba-Co,68.0,"Invalid WP multiplicities - A6BC10_oP68_62_6c3d_c_7c5d:As-Ba-Co, expected BaCo17As12 to be Ba(Co5As3)2" +mp-1190177,Dy2CoTe2(SO7)2,-7.1102150524,-2.3418795784,0.0,-0.0083944362,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Dy-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Dy-O-S-Te +mp-1079700,Dy6CoTe2,-5.3143821878,-0.754865452,0.0,-0.0168105685,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Dy-Te,9.0,AB6C2_hP9_189_a_fg_d:Co-Dy-Te +mp-707327,Na4Sn2H26Se6O13,-4.8700648422,-1.2072698585,0.0133562224,0.0133562224,GGA,P-1,A26B4C13D6E2_aP102_2_26i_4i_13i_6i_2i:H-Na-O-Se-Sn,102.0,A26B4C13D6E2_aP102_2_26i_4i_13i_6i_2i:H-Na-O-Se-Sn +mp-762089,Na4SnH32(SeO4)4,-4.9329552707,-1.2312434854,0.0267101325,0.0267101325,GGA,P2_1/m,A32B4C16D4E_mP114_11_4e14f_abf_2e7f_2ef_e:H-Na-O-Se-Sn,114.0,"Invalid WP multiplicities - A32B4C16D4E_mP114_11_8e27f_ab2f_4e13f_3e2f_e:H-Na-O-Se-Sn, expected Na6SnH62Se7O30 to be Na4SnH32(SeO4)4" +mp-643061,Mg3ReH7,-4.0845101591,-0.3577420091,0.0,-0.1168616536,GGA,P6_3/mmc,A7B3C_hP22_194_ck_bf_a:H-Mg-Re,22.0,A7B3C_hP22_194_ck_bf_a:H-Mg-Re +mp-1104976,MnRe2(HO5)2,-7.7845310367,-1.764303779,0.1123199233,0.1123199233,GGA+U,C2/m,A2BC10D2_mC30_12_i_a_3ij_i:H-Mn-O-Re,15.0,A2BC10D2_mC30_12_i_a_3ij_i:H-Mn-O-Re +mp-1210961,MnRe2(HO5)2,-7.40793506,-1.3877078024,0.4889158999,0.4889158999,GGA+U,C2/m,A2BC10D2_mC30_12_i_a_3ij_i:H-Mn-O-Re,15.0,A2BC10D2_mC30_12_i_a_3ij_i:H-Mn-O-Re +mp-643573,Mg3MnH7,-3.7839964386,-0.3556384607,0.0,-0.1131548529,GGA,P6_3/mmc,A7B3C_hP22_194_ck_bf_a:H-Mg-Mn,22.0,A7B3C_hP22_194_ck_bf_a:H-Mg-Mn +mp-2218039,MgMn3HO6,-7.6446793755,-1.9938444447,0.1292528609,0.1292528609,GGA+U,Cm,ABC3D6_mC22_8_a_a_3a_6a:H-Mg-Mn-O,11.0,ABC3D6_mC22_8_a_a_3a_6a:H-Mg-Mn-O +mp-2227447,MgMn3HO6,-7.6443025109,-1.9934675801,0.1296297254,0.1296297254,GGA+U,Cm,ABC3D6_mC22_8_a_a_3a_6a:H-Mg-Mn-O,11.0,ABC3D6_mC22_8_a_a_3a_6a:H-Mg-Mn-O +mp-2218256,MgMn(ReO4)2,-8.3403817092,-2.0716434257,0.22044509,0.22044509,GGA+U,P-3m1,ABC8D2_hP12_164_a_b_di_d:Mg-Mn-O-Re,12.0,ABC8D2_hP12_164_a_b_di_d:Mg-Mn-O-Re +mp-2232101,MgMn4(HO4)2,-7.5443940073,-1.9039071408,0.117016822,0.117016822,GGA+U,P1,A2BC4D8_aP15_1_2a_a_4a_8a:H-Mg-Mn-O,15.0,A2BC4D8_aP15_1_2a_a_4a_8a:H-Mg-Mn-O +mp-2232249,MgMn4(HO4)2,-7.5362618173,-1.8957749508,0.125149012,0.125149012,GGA+U,Pm,A2BC4D8_mP15_6_2a_b_2a2b_4a4b:H-Mg-Mn-O,15.0,A2BC4D8_mP15_6_2a_b_2a2b_4a4b:H-Mg-Mn-O +mp-2232183,MgMn4(HO4)2,-7.5445395327,-1.9040526661,0.1168712966,0.1168712966,GGA+U,Pm,A2BC4D8_mP15_6_2a_b_2a2b_4a4b:H-Mg-Mn-O,15.0,A2BC4D8_mP15_6_2a_b_2a2b_4a4b:H-Mg-Mn-O +mp-2228978,MgMn4(HO2)4,-7.16151683,-1.785472413,0.1094666337,0.1094666337,GGA+U,P-1,A4BC4D8_aP17_2_2i_a_2i_4i:H-Mg-Mn-O,17.0,"Invalid WP multiplicities - A4BC4D8_aP17_2_4i_a_4i_5i:H-Mg-Mn-O, expected MgMn8(H4O5)2 to be MgMn4(HO2)4" +mp-2240936,MgMnRe2(HO5)2,-7.8250655881,-2.081085031,0.0659981603,0.0659981603,GGA+U,C2/m,A2BCD10E2_mC32_12_i_a_c_3ij_i:H-Mg-Mn-O-Re,16.0,A2BCD10E2_mC32_12_i_a_d_3ij_i:H-Mg-Mn-O-Re +mp-2217386,MgMn2(HO2)2,-6.9821699278,-1.8158901979,0.1807273756,0.1807273756,GGA+U,Pm,A2BC2D4_mP9_6_ab_a_ab_2a2b:H-Mg-Mn-O,9.0,A2BC2D4_mP9_6_ab_a_ab_2a2b:H-Mg-Mn-O +mp-2225371,MgMnHO2,-6.47309745,-1.6634176881,0.350140489,0.350140489,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:H-Mg-Mn-O,5.0,ABCD2_mC10_8_a_a_a_2a:H-Mg-Mn-O +mp-1208507,Tl2Mo3P3O17,-7.7200886445,-2.2162545551,0.0,-0.00408712,GGA+U,P2_1/c,A3B17C3D2_mP100_14_3e_17e_3e_2e:Mo-O-P-Tl,100.0,A3B17C3D2_mP100_14_3e_17e_3e_2e:Mo-O-P-Tl +mp-732347,Tl2Te(PO7)2,-5.6993617976,-1.0704755262,0.5139122134,0.5139122134,GGA,P2_1/c,A14B2CD2_mP38_14_7e_e_a_e:O-P-Te-Tl,38.0,A14B2CD2_mP38_14_7e_e_a_e:O-P-Te-Tl +mp-35138,Tl4Te3Mo,-3.7829538806,-0.0671863335,0.3715548747,0.3715548747,GGA,I4/mcm,AB3C4_tI32_140_c_ah_l:Mo-Te-Tl,16.0,"Invalid WP multiplicities - AB3C4_tI32_140_c_2a3h_l:Mo-Te-Tl, expected Tl4Te8Mo to be Tl4Te3Mo" +mp-14498,TlMo2(PO4)3,-7.9239060285,-2.3875662828,0.0,-0.0241829701,GGA+U,Pbcm,A2B12C3D_oP72_57_e_2d5e_ce_d:Mo-O-P-Tl,72.0,"Invalid WP multiplicities - A2B12C3D_oP72_57_e_2d9e_ce_d:Mo-O-P-Tl, expected TlMo2P3O20 to be TlMo2(PO4)3" +mp-10448,Tl2TeMo2(PO7)2,-7.2874633567,-2.0665043387,0.0,-0.008178268,GGA+U,Pbcn,A2B14C2DE2_oP84_60_d_7d_d_c_d:Mo-O-P-Te-Tl,84.0,"Invalid WP multiplicities - A2B14C2DE2_oP84_60_d_11d_d_c_d:Mo-O-P-Te-Tl, expected Tl2TeMo2(PO11)2 to be Tl2TeMo2(PO7)2" +mp-1105024,Tl(TeMo)3,-6.6185626193,-0.2857753112,0.117504042,0.117504042,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:Mo-Te-Tl,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:Mo-Te-Tl, expected Tl(TeMo)6 to be Tl(TeMo)3" +mp-16096,Tl(TeMo)3,-6.6215588307,-0.2887715226,0.1145078306,0.1145078306,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Mo-Te-Tl,14.0,A3B3C_hP14_176_h_h_c:Mo-Te-Tl +mp-17542,TlMoPO6,-7.5189806117,-2.1521219416,0.0,-0.0114846148,GGA+U,Fddd,AB6CD_oF144_70_e_3h_f_g:Mo-O-P-Tl,36.0,"Invalid WP multiplicities - AB6CD_oF144_70_e_4h_f_g:Mo-O-P-Tl, expected TlMoPO8 to be TlMoPO6" +mp-1217035,Tl2Mo2P2O11,-7.5889311015,-2.1973565514,0.0,-0.0152435766,GGA+U,P2_1,A2B11C2D2_mP68_4_4a_22a_4a_4a:Mo-O-P-Tl,68.0,A2B11C2D2_mP68_4_4a_22a_4a_4a:Mo-O-P-Tl +mp-1208459,Tl3Mo4(P2O11)2,-7.5168490458,-2.0334886956,0.1885836867,0.1885836867,GGA+U,P2_1/c,A4B22C4D3_mP66_14_2e_11e_2e_ae:Mo-O-P-Tl,66.0,A4B22C4D3_mP66_14_2e_11e_2e_ae:Mo-O-P-Tl +mp-1208648,Tl3Mo4(P2O11)2,-7.7053090808,-2.2219487307,0.0001236516,0.0001236516,GGA+U,C222_1,A4B22C4D3_oC264_20_4c_22c_4c_ab2c:Mo-O-P-Tl,132.0,A4B22C4D3_oC264_20_4c_22c_4c_ab2c:Mo-O-P-Tl +mp-1208397,TlMo2P3O13,-7.8622103018,-2.3569048212,0.0009359496,-0.0156883135,GGA+U,P2_1,A2B13C3D_mP76_4_4a_26a_6a_2a:Mo-O-P-Tl,76.0,A2B13C3D_mP76_4_4a_26a_6a_2a:Mo-O-P-Tl +mp-1217181,TlMo2P3O13,-7.8631462514,-2.3578407708,0.0,-0.0166242631,GGA+U,P2_1/c,A2B13C3D_mP76_14_2e_13e_3e_e:Mo-O-P-Tl,76.0,A2B13C3D_mP76_14_2e_13e_3e_e:Mo-O-P-Tl +mp-1218223,SrLaCuS3,-5.8236959329,-1.9680197948,0.0,-0.0242816008,GGA,Pnma,ABC3D_oP24_62_c_c_3c_c:Cu-La-S-Sr,24.0,ABC3D_oP24_62_c_c_3c_c:Cu-La-S-Sr +mp-34141,Sr(LaS2)2,-6.4841534486,-2.4688238585,0.0,-0.0028300629,GGA,I-42d,A2B4C_tI28_122_d_e_a:La-S-Sr,14.0,A2B4C_tI28_122_d_e_a:La-S-Sr +mp-1196814,Rb2AsH5O6,-5.4412160018,-1.636648213,0.0,-0.1006362913,GGA,P2_1/c,AB5C6D2_mP56_14_e_5e_6e_2e:As-H-O-Rb,56.0,AB5C6D2_mP56_14_e_5e_6e_2e:As-H-O-Rb +mp-559463,RbMgAs(H6O5)2,-5.4812705298,-1.5844892426,0.0,-0.0138838801,GGA,Pmn2_1,AB12CD10E_oP50_31_a_2a5b_a_4a3b_a:As-H-Mg-O-Rb,50.0,"Invalid WP multiplicities - AB12CD10E_oP50_31_a_4a19b_a_8a10b_a:As-H-Mg-O-Rb, expected RbMgAs(H3O2)14 to be RbMgAs(H6O5)2" +mp-1219627,RbAs4(HO4)3,-6.089467534,-1.6316950159,0.0,-0.0470698592,GGA,P1,A4B3C12D_aP20_1_4a_3a_12a_a:As-H-O-Rb,20.0,A4B3C12D_aP20_1_4a_3a_12a_a:As-H-O-Rb +mp-1378888,RbAs4(HO4)3,-3.0779500895,1.3798224286,3.0115174445,2.9644475853000003,GGA,P1,A4B3C12D_aP20_1_4a_3a_12a_a:As-H-O-Rb,20.0,A4B3C12D_aP20_1_4a_3a_12a_a:As-H-O-Rb +mp-699453,RbAs2H5O8,-5.751884368,-1.5746399432,0.0,-0.0166296985,GGA,Pbca,A2B5C8D_oP128_61_2c_5c_8c_c:As-H-O-Rb,128.0,A2B5C8D_oP128_61_2c_5c_8c_c:As-H-O-Rb +mp-2218581,NdMgCu(WO4)2,-8.2291050269,-2.3862277729,0.1552500777,0.1552500777,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Mg-Nd-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Mg-Nd-O-W +mp-2218758,NdMgCu(WO4)2,-8.2411738569,-2.3982966029,0.1431812477,0.1431812477,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Mg-Nd-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Cu-Mg-Nd-O-W +mp-2218562,NdMgCu(WO4)2,-8.1305498123,-2.2876725583,0.2538052923,0.2538052923,GGA+U,P-1,ABCD8E2_aP13_2_d_a_b_4i_i:Cu-Mg-Nd-O-W,13.0,"Invalid WP multiplicities - ABCD8E2_aP13_2_d_a_b_8i_i:Cu-Mg-Nd-O-W, expected NdMgCu(WO8)2 to be NdMgCu(WO4)2" +mp-2226846,Nd4Mg(CuO4)2,-7.4116242807,-2.8486380933,0.2121313678,0.2121313678,GGA,C2,A2BC4D8_mC30_5_c_a_2c_2a2b2c:Cu-Mg-Nd-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_5_c_a_3c_2a2b4c:Cu-Mg-Nd-O, expected Nd6Mg(CuO6)2 to be Nd4Mg(CuO4)2" +mp-1071051,NdMgCu4,-3.9872477567,-0.1930387296,0.0,-0.0183860635,GGA,F-43m,A4BC_cF24_216_e_a_c:Cu-Mg-Nd,6.0,A4BC_cF24_216_e_a_c:Cu-Mg-Nd +mp-2232102,Nd2Mg(CuO2)4,-6.4212744453,-1.9474803597,0.226653256,0.226653256,GGA,I-4,A4BC2D8_tI30_82_g_a_bc_2g:Cu-Mg-Nd-O,15.0,"Invalid WP multiplicities - A4BC2D8_tI30_82_g_a_bc_3g:Cu-Mg-Nd-O, expected Nd2Mg(CuO3)4 to be Nd2Mg(CuO2)4" +mp-13221,NdMg2Cu9,-3.9053425037,-0.1668785402,0.0,-0.0165651588,GGA,P6_3/mmc,A9B2C_hP24_194_abck_f_d:Cu-Mg-Nd,24.0,"Invalid WP multiplicities - A9B2C_hP24_194_abc2k_f_d:Cu-Mg-Nd, expected NdMg2Cu15 to be NdMg2Cu9" +mp-16638,Nd2MgCu2,-4.060962585,-0.193964934,0.0,-0.022644156,GGA,P4/mbm,A2BC2_tP10_127_g_a_h:Cu-Mg-Nd,10.0,A2BC2_tP10_127_g_a_h:Cu-Mg-Nd +mp-2228412,Nd4Mg(Cu2O5)2,-6.8878380189,-2.3332809888,0.2833092128,0.2833092128,GGA,Pm,A4BC4D10_mP19_6_4b_a_4a_4a6b:Cu-Mg-Nd-O,19.0,A4BC4D10_mP19_6_4b_a_4a_4a6b:Cu-Mg-Nd-O +mp-1179980,NdCu(WO4)2,-8.5565495717,-2.3601225506,0.0362720727,0.0362720727,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Cu-Nd-O-W,12.0,ABC8D2_aP12_1_a_a_8a_2a:Cu-Nd-O-W +mp-504997,NdCu(WO4)2,-8.5573946325,-2.3609676115,0.0354270119,0.0354270119,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Cu-Nd-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Cu-Nd-O-W, expected NdCu(WO8)2 to be NdCu(WO4)2" +mp-2227604,Nd2MgCuO4,-6.7804743587,-2.402657305,0.7247969684000001,0.7247969684000001,GGA,I4mm,ABC2D4_tI16_107_a_a_2a_2b:Cu-Mg-Nd-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_107_a_a_2a_4b:Cu-Mg-Nd-O, expected Nd2MgCuO8 to be Nd2MgCuO4" +mp-2239932,Nd2MgCuO4,-6.7292373275,-2.3514202737,0.7760339997,0.7760339997,GGA,I-4m2,ABC2D4_tI16_119_a_c_e_ef:Cu-Mg-Nd-O,8.0,ABC2D4_tI16_119_a_c_e_ef:Cu-Mg-Nd-O +mp-2225833,Nd2MgCuO4,-6.5409584987,-2.163141445,0.9643128284,0.9643128284,GGA,I4/mmm,ABC2D4_tI16_139_a_b_e_ce:Cu-Mg-Nd-O,8.0,ABC2D4_tI16_139_a_b_e_ce:Cu-Mg-Nd-O +mp-2227814,Nd2MgCuO4,-6.6708026825,-2.2929856287,0.8344686447,0.8344686447,GGA,I4/mmm,ABC2D4_tI16_139_a_b_e_cd:Cu-Mg-Nd-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_139_a_b_e_2c2d:Cu-Mg-Nd-O, expected Nd2MgCuO8 to be Nd2MgCuO4" +mp-1197894,Rb2BiMoPO8,-7.069699054,-2.3286206247,0.0,-0.0262389717,GGA+U,Ibca,ABC8DE2_oI104_73_c_d_4f_c_f:Bi-Mo-O-P-Rb,52.0,ABC8DE2_oI104_73_c_d_4f_c_f:Bi-Mo-O-P-Rb +mp-18255,RbSm(PO3)4,-7.7365986689,-2.9192322928000003,0.0,-0.014372621,GGA,C2/c,A12B4CD_mC72_15_6f_2f_e_e:O-P-Rb-Sm,36.0,A12B4CD_mC72_15_6f_2f_e_e:O-P-Rb-Sm +mp-978695,SmFeP,-7.1542872333,-0.9536506161,0.0905104367,0.0905104367,GGA,P4/nmm,ABC_tP6_129_a_c_c:Fe-P-Sm,6.0,ABC_tP6_129_a_c_c:Fe-P-Sm +mp-1196551,Rb7SmFe6(P4O17)2,-7.4278689625,-2.5368638172,0.0,-0.0044420267,GGA+U,P-1,A6B34C8D7E_aP56_2_3i_17i_4i_b3i_c:Fe-O-P-Rb-Sm,56.0,A6B34C8D7E_aP56_2_3i_17i_4i_b3i_c:Fe-O-P-Rb-Sm +mp-1208878,Sm2FeP2O,-5.601080245,0.0123342891,1.9308061382,1.9308061382,GGA+U,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Fe-O-P-Sm,6.0,ABC2D2_tP6_123_a_b_g_g:Fe-O-P-Sm +mp-1105927,Sm(FeP3)4,-6.6867471147,-0.5950823468,0.0,-0.0099941029,GGA,Im-3,A4B12C_cI34_204_c_g_a:Fe-P-Sm,17.0,A4B12C_cI34_204_c_g_a:Fe-P-Sm +mp-505259,SmFePO,-7.5217757038,-1.634626063,0.459960921,0.459960921,GGA+U,P4/nmm,ABCD_tP8_129_a_b_c_c:Fe-O-P-Sm,8.0,ABCD_tP8_129_a_b_c_c:Fe-O-P-Sm +mp-1191147,Sm2Fe12P7,-7.7755603552,-0.6817249106000001,0.0,-0.0518485919,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Sm,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Fe-P-Sm +mp-1192985,Fe(WCl5)2,-5.2388795554,-1.1718296885,0.1026252892,0.1026252892,GGA,C2/c,A10BC2_mC52_15_5f_e_2e:Cl-Fe-W,26.0,A10BC2_mC52_15_5f_e_2e:Cl-Fe-W +mp-1197576,Fe(W3Cl7)2,-6.412667639,-1.0746525995,0.0585036602,0.0585036602,GGA,Pn-3,A14BC6_cP84_201_e2h_b_h:Cl-Fe-W,84.0,A14BC6_cP84_201_e2h_b_h:Cl-Fe-W +mp-2228623,MgFe2W2(ClO4)2,-7.757609436,-1.9091317067,0.162807708,0.162807708,GGA+U,Cm,A2B2CD8E2_mC30_8_2a_2a_a_4b_b:Cl-Fe-Mg-O-W,15.0,"Invalid WP multiplicities - A2B2CD8E2_mC30_8_2a_2a_a_6b_b:Cl-Fe-Mg-O-W, expected MgFe2W2(ClO6)2 to be MgFe2W2(ClO4)2" +mp-2228678,MgFe2W2(ClO4)2,-7.8800884193,-2.03161069,0.0403287247,0.0403287247,GGA+U,C2/m,A2B2CD8E2_mC30_12_i_i_a_2j_h:Cl-Fe-Mg-O-W,15.0,"Invalid WP multiplicities - A2B2CD8E2_mC30_12_i_i_a_4j_h:Cl-Fe-Mg-O-W, expected MgFe2W2(ClO8)2 to be MgFe2W2(ClO4)2" +mp-2228701,MgFe2W2(ClO4)2,-7.7469768853,-1.898499156,0.1734402587,0.1734402587,GGA+U,P-4m2,A2B2CD8E2_tP15_115_g_g_c_jk_ab:Cl-Fe-Mg-O-W,15.0,"Invalid WP multiplicities - A2B2CD8E2_tP15_115_g_g_c_3j3k_ab:Cl-Fe-Mg-O-W, expected MgFe2W2(ClO12)2 to be MgFe2W2(ClO4)2" +mp-1194242,FeWCl5,-5.5300945707,-1.1485467507,0.0481086491,0.0481086491,GGA,C2/c,A5BC_mC56_15_5f_2e_2e:Cl-Fe-W,28.0,A5BC_mC56_15_5f_2e_2e:Cl-Fe-W +mp-556603,FeWClO4,-7.970484745,-1.8185643243,0.0739213623,0.0739213623,GGA+U,P4/nmm,ABC4D_tP14_129_c_c_i_a:Cl-Fe-O-W,14.0,ABC4D_tP14_129_c_c_i_a:Cl-Fe-O-W +mp-757755,Cr3CoTe2(PO4)6,-7.6692768336,-2.2927652752,0.0883321256,0.0883321256,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Co-Cr-O-P-Te,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_18b_2b_2a:Co-Cr-O-P-Te, expected Cr3CoTe2(PO9)6 to be Cr3CoTe2(PO4)6" +mp-14865,Sr4Al6WO16,-7.8035049213,-3.3095575731,0.0,-0.0080022661,GGA+U,I4_1/acd,A6B16C4D_tI432_142_abf2g_8g_2fg_e:Al-O-Sr-W,216.0,A6B16C4D_tI432_142_abf2g_8g_2fg_e:Al-O-Sr-W +mp-19259,Sr4Al6WO16,-7.7912173337,-3.2972699854,0.0122875876,0.0042853216,GGA+U,I-43m,A6B16C4D_cI54_217_d_cg_c_a:Al-O-Sr-W,27.0,"Invalid WP multiplicities - A6B16C4D_cI54_217_d_c2g_c_a:Al-O-Sr-W, expected Sr4Al6WO28 to be Sr4Al6WO16" +mp-651024,KAlGeO4,-6.8591414264,-2.6783189297,0.0,-0.0610329809,GGA,P6_3,ABCD4_hP168_173_4c_4c_a2b3c_16c:Al-Ge-K-O,168.0,"Invalid WP multiplicities - ABCD4_hP168_173_15c_21c_2a4b14c_91c:Al-Ge-K-O, expected K16Al15(Ge3O13)7 to be KAlGeO4" +mp-573281,KNa3Al4(GeO4)4,-6.5319489639,-2.3283986444,0.3236693749,0.3236693749,GGA,P2_1,A4B4CD3E16_mP56_4_4a_4a_a_3a_16a:Al-Ge-K-Na-O,56.0,"Invalid WP multiplicities - A4B4CD3E16_mP56_4_8a_8a_a_5a_31a:Al-Ge-K-Na-O, expected KNa5Al8Ge8O31 to be KNa3Al4(GeO4)4" +mp-1205426,KNa3Al4(GeO4)4,-6.8502859241,-2.6467356046,0.0053324147,0.0053324147,GGA,P2_1,A4B4CD3E16_mP56_4_4a_4a_a_3a_16a:Al-Ge-K-Na-O,56.0,A4B4CD3E16_mP56_4_4a_4a_a_3a_16a:Al-Ge-K-Na-O +mp-759100,Ti3Co2Sb(PO4)6,-8.0136706756,-2.6461024258,0.082659045,0.082659045,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Co-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Co-O-P-Sb-Ti, expected Ti3Co2Sb(PO10)6 to be Ti3Co2Sb(PO4)6" +mp-776849,Li4V3Sn3(SbO8)2,-6.9853815504,-2.1881977253,0.0549637241,0.0549637241,GGA+U,P1,A4B16C2D3E3_aP28_1_4a_16a_2a_3a_3a:Li-O-Sb-Sn-V,56.0,"Invalid WP multiplicities - A4B16C2D3E3_aP28_1_4a_16a_2a_3a_6a:Li-O-Sb-Sn-V, expected Li4V6Sn3(SbO8)2 to be Li4V3Sn3(SbO8)2" +mp-1661840,Li4V3Sn3(SbO8)2,-6.9850233718,-2.1878395467,0.0553219027,0.0553219027,GGA+U,P1,A4B16C2D3E3_aP56_1_8a_32a_4a_6a_6a:Li-O-Sb-Sn-V,56.0,A4B16C2D3E3_aP56_1_8a_32a_4a_6a_6a:Li-O-Sb-Sn-V +mp-774333,Li4V3Sn3(SbO8)2,-6.9746489346,-2.1774651096,0.0656963398,0.0656963398,GGA+U,Cm,A4B16C2D3E3_mC56_8_4a_8a4b_2a_ab_ab:Li-O-Sb-Sn-V,28.0,"Invalid WP multiplicities - A4B16C2D3E3_mC56_8_4a_8a6b_2a_ab_ab:Li-O-Sb-Sn-V, expected Li4V3Sn3(SbO10)2 to be Li4V3Sn3(SbO8)2" +mp-1199112,BaV(AsO5)2,-6.7481300959,-1.7632726007,0.2185327433,0.2185327433,GGA+U,P2_1/c,A2BC10D_mP56_14_2e_e_10e_e:As-Ba-O-V,56.0,A2BC10D_mP56_14_2e_e_10e_e:As-Ba-O-V +mp-540991,BaNi9As5,-5.611187162,-0.462134023,0.0,-0.0780240415,GGA,P6_3/mmc,A5BC9_hP30_194_fh_a_hk:As-Ba-Ni,30.0,A5BC9_hP30_194_fh_a_hk:As-Ba-Ni +mp-1228018,Ba3V2Ni6(AsO6)4,-7.0845319169,-2.0598508982,0.0017113703,0.0017113703,GGA+U,P1,A4B3C6D24E2_aP39_1_4a_3a_6a_24a_2a:As-Ba-Ni-O-V,39.0,A4B3C6D24E2_aP39_1_4a_3a_6a_24a_2a:As-Ba-Ni-O-V +mp-18723,BaV2(NiO4)2,-7.7509731185,-2.2724677238,0.0,-0.0056268214,GGA+U,R-3,AB2C8D2_hR39_148_a_c_cf_c:Ba-Ni-O-V,13.0,AB2C8D2_hR39_148_a_c_cf_c:Ba-Ni-O-V +mp-557424,BaV(AsO4)2,-7.2433253906,-2.2521064315,0.0123843523,0.0123843523,GGA+U,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:As-Ba-O-V,48.0,"Invalid WP multiplicities - A2BC8D_mP48_14_4e_e_29e_e:As-Ba-O-V, expected BaVAs4O29 to be BaV(AsO4)2" +mp-1227827,BaV2(AsO5)2,-7.5466650368,-2.2885376367,0.0192797692,0.0192797692,GGA+U,Cc,A2BC10D2_mC120_9_4a_2a_20a_4a:As-Ba-O-V,60.0,"Invalid WP multiplicities - A2BC10D2_mC120_9_8a_2a_40a_8a:As-Ba-O-V, expected BaV4(AsO5)4 to be BaV2(AsO5)2" +mp-17264,BaVAsO6,-7.4952781983,-2.4572635669,0.0,-0.0138484893,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:As-Ba-O-V,36.0,ABC6D_mP36_14_e_e_6e_e:As-Ba-O-V +mp-1070400,Ba(NiAs)2,-5.216526494,-0.6570294720000001,0.00025537,-0.0373411395,GGA,C2/m,A2BC2_mC10_12_i_a_i:As-Ba-Ni,5.0,A2BC2_mC10_12_i_a_i:As-Ba-Ni +mp-568280,Ba(NiAs)2,-5.216781864,-0.657284842,0.0,-0.0375965095,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ba-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Ba-Ni +mp-19388,BaNi2(AsO4)2,-6.7538783715,-1.9561095408,0.0,-0.0312837518,GGA+U,R-3,A2BC2D8_hR39_148_c_a_c_cf:As-Ba-Ni-O,26.0,A2BC2D8_hR39_148_c_a_c_cf:As-Ba-Ni-O +mp-1101976,VNiAs,-6.9084235708,-0.4007031858,0.0,-0.0150128377,GGA,Pnma,ABC_oP12_62_c_c_c:As-Ni-V,12.0,ABC_oP12_62_c_c_c:As-Ni-V +mp-1216333,VNi3AsO8,-7.1364842277000005,-1.7013346735,0.0023366807,0.0023366807,GGA+U,C2/m,AB3C8D_mC52_12_i_adj_4i2j_i:As-Ni-O-V,26.0,"Invalid WP multiplicities - AB3C8D_mC52_12_i_acj_4i4j_i:As-Ni-O-V, expected VNi3AsO12 to be VNi3AsO8" +mp-560714,BaV4As4O19,-7.4199429021,-2.0314372466,0.1343064367,0.1343064367,GGA+U,Pnma,A4BC19D4_oP112_62_4c_c_7c6d_2d:As-Ba-O-V,112.0,"Invalid WP multiplicities - A4BC19D4_oP112_62_13c_c_28c45d_10d:As-Ba-O-V, expected BaV20As13O118 to be BaV4As4O19" +mp-1044226,MgTiNi(PO4)3,-7.7178920378,-2.6692208821,0.0496995993,0.0496995993,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Mg-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Mg-Ni-O-P-Ti, expected MgTiNi(PO18)3 to be MgTiNi(PO4)3" +mp-1043031,MgTiNiP2O9,-7.8183856766,-2.7739062365,0.046853514,0.046853514,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Ti,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Ti +mp-42307,Ba2Ce3Si3O12F,-8.3309969155,-3.607905728,0.0,-0.0107413546,GGA,P6_3,A2B3CD12E3_hP42_173_2b_c_a_4c_c:Ba-Ce-F-O-Si,42.0,"Invalid WP multiplicities - A2B3CD12E3_hP42_173_4b_c_a_21c_c:Ba-Ce-F-O-Si, expected Ba4Ce3Si3O63F to be Ba2Ce3Si3O12F" +mp-1191311,Ba2MgSi2O7,-7.605612544199999,-3.3626386301,0.0042666033,-0.0159133649,GGA,C2/c,A2BC7D2_mC48_15_f_e_e3f_f:Ba-Mg-O-Si,24.0,A2BC7D2_mC48_15_f_e_e3f_f:Ba-Mg-O-Si +mp-9338,Ba2MgSi2O7,-7.6098791475,-3.3669052334,0.0,-0.0201799682,GGA,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Ba-Mg-O-Si,24.0,"Invalid WP multiplicities - A2BC7D2_tP24_113_e_a_c2ef_e:Ba-Mg-O-Si, expected Ba2MgSi2O9 to be Ba2MgSi2O7" +mp-1034741,BaMg14SiO16,-6.1048698794,-2.7018938466,0.3381871521,0.3381871521,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ba-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ba-Mg-O-Si, expected BaMg18SiO20 to be BaMg14SiO16" +mp-1034729,BaMg14SiO16,-6.1056361056,-2.7026600728,0.3374209258,0.3374209258,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ba-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ba-Mg-O-Si, expected BaMg30SiO32 to be BaMg14SiO16" +mp-1039914,BaMg30SiO32,-6.2249231036,-2.8866928969,0.1603677521,0.1603677521,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ba-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ba-Mg-O-Si, expected BaMg90SiO80 to be BaMg30SiO32" +mp-1039822,BaMg30SiO32,-6.2256146098,-2.8873844031,0.1596762459,0.1596762459,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ba-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ba-Mg-O-Si, expected BaMg110SiO72 to be BaMg30SiO32" +mp-1030830,BaMg6SiO8,-5.9299356662000005,-2.3974679812,0.6286537166,0.6286537166,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ba-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ba-Mg-O-Si, expected BaMg6SiO12 to be BaMg6SiO8" +mp-1030846,BaMg6SiO8,-5.909992945,-2.37752526,0.6485964379,0.6485964379,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ba-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ba-Mg-O-Si, expected BaMg6SiO12 to be BaMg6SiO8" +mp-556703,Ba3Mg(SiO4)2,-7.4514878995,-3.3242485695,0.018208491,0.018208491,GGA,P-3,A3BC8D2_hP42_147_adg_bd_4g_g:Ba-Mg-O-Si,42.0,A3BC8D2_hP42_147_adg_bd_4g_g:Ba-Mg-O-Si +mp-1233916,Ba2MgV2(Si2O7)2,-7.9158241587,-2.9349130218,0.2310689983,0.2310689983,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Mg-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Mg-O-Si-V +mp-1234882,Ba2MgV2(Si2O7)2,-8.0462291017,-3.0653179649,0.1006640553,0.1006640553,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Mg-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Mg-O-Si-V +mp-1233374,Ba2MgV2(Si2O7)2,-8.0258814826,-3.0449703458,0.1210116744,0.1210116744,GGA+U,C2,A2BC14D4E2_mC46_5_c_a_ab6c_2c_c:Ba-Mg-O-Si-V,23.0,A2BC14D4E2_mC46_5_c_a_ab6c_2c_c:Ba-Mg-O-Si-V +mp-560186,BaMgSiO4,-7.4097354481,-3.3052600388,0.016950204,0.016950204,GGA,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Ba-Mg-O-Si,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_2a4b_c_18c_c:Ba-Mg-O-Si, expected Ba2MgSiO18 to be BaMgSiO4" +mp-1019549,BaMg2Si2O7,-7.516888071,-3.3004720645,0.0,-0.0016416704,GGA,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Mg-O-Si,48.0,AB2C7D2_mC96_15_f_2ef_7f_2f:Ba-Mg-O-Si +mp-756192,Li2ZnFe(PO4)2,-7.0576438966,-2.4899492354,0.0240701448,0.0240701448,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Fe-Li-O-P-Zn,56.0,AB2C8D2E_mP28_11_e_ab_4e2f_2e_e:Fe-Li-O-P-Zn +mp-1223044,Li3ZnFe2(PO4)3,-7.2252188936,-2.4858509562,0.0171396924,0.0171396924,GGA+U,P1,A2B3C12D3E_aP84_1_8a_12a_48a_12a_4a:Fe-Li-O-P-Zn,84.0,A2B3C12D3E_aP84_1_8a_12a_48a_12a_4a:Fe-Li-O-P-Zn +mp-780791,Li3ZnFe2(PO4)3,-7.225197062,-2.4858291246,0.0171615239,0.0171615239,GGA+U,Pm,A2B3C12D3E_mP84_6_3a5b_6c_12a12b12c_6a6b_3ab:Fe-Li-O-P-Zn,84.0,"Invalid WP multiplicities - A2B3C12D3E_mP84_6_3a5b_7c_12a12b21c_6a6b_3ab:Fe-Li-O-P-Zn, expected Li7Zn2Fe4(P2O11)3 to be Li3ZnFe2(PO4)3" +mp-6856,Be3Zn4Si3SO12,-6.864952563,-2.6897403227,0.0,-0.0292676399,GGA,P-43n,A3B12CD3E4_cP46_218_c_i_a_d_e:Be-O-S-Si-Zn,46.0,A3B12CD3E4_cP46_218_c_i_a_d_e:Be-O-S-Si-Zn +mp-1227366,BeZn3S4,-4.0902538037,-1.0821984084,0.0422017084,0.0422017084,GGA,R3m,AB4C3_hR24_160_a_4a_3a:Be-S-Zn,8.0,AB4C3_hR24_160_a_4a_3a:Be-S-Zn +mp-1227344,Be3ZnS4,-4.8301718538,-1.2021991447,0.044738377,0.044738377,GGA,R3m,A3B4C_hR24_160_3a_4a_a:Be-S-Zn,8.0,A3B4C_hR24_160_3a_4a_a:Be-S-Zn +mp-1227316,BeZnS2,-4.44592078,-1.1279067278,0.0577620914,0.0577620914,GGA,R3m,AB2C_hR12_160_a_2a_a:Be-S-Zn,4.0,AB2C_hR12_160_a_2a_a:Be-S-Zn +mp-771250,Na3SiSnCO7,-6.6740130204,-2.269555156,0.0632357613,0.0632357613,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-Si-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-Si-Sn, expected Na4SiSnCO13 to be Na3SiSnCO7" +mp-554823,Na2Sn(CO2)4,-7.284676444,-1.7418235039,0.0416199921,0.0416199921,GGA,C2/c,A4B2C8D_mC60_15_2f_f_4f_e:C-Na-O-Sn,30.0,"Invalid WP multiplicities - A4B2C8D_mC60_15_4f_f_14f_e:C-Na-O-Sn, expected Na2Sn(C2O7)4 to be Na2Sn(CO2)4" +mp-771774,Na2SiSnCO7,-7.0311975808,-2.3699120022,0.0125214157,0.0125214157,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-Si-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-Si-Sn, expected Na2SiSnCO13 to be Na2SiSnCO7" +mp-1214792,BaFe3Si4SO11,-7.957633121,-2.578616302,0.13781887,0.13781887,GGA+U,Pnnm,AB3C11DE4_oP80_58_g_acef_3g4h_g_2h:Ba-Fe-O-S-Si,80.0,AB3C11DE4_oP80_58_g_acef_3g4h_g_2h:Ba-Fe-O-S-Si +mp-1228928,Ba12FeSi3S20,-5.5668362006,-1.9417619806,0.0208507244,0.0208507244,GGA,Pm,A12BC20D3_mP36_6_2a2b4c_a_6a6b4c_a2b:Ba-Fe-S-Si,36.0,"Invalid WP multiplicities - A12BC20D3_mP36_6_2a2b8c_a_6a6b8c_a2b:Ba-Fe-S-Si, expected Ba20FeSi3S28 to be Ba12FeSi3S20" +mp-1284148,BaFe2S2O,-6.7973106492,-1.4508763483,0.07249353,0.07249353,GGA+U,Pmn2_1,AB2CD2_oP12_31_a_b_a_b:Ba-Fe-O-S,12.0,AB2CD2_oP12_59_a_e_b_e:Ba-Fe-O-S +mp-1095213,BaFe2S2O,-6.8385008283,-1.4920665275,0.0313033508,0.0313033508,GGA+U,Pmmn,AB2CD2_oP12_59_a_e_b_e:Ba-Fe-O-S,12.0,AB2CD2_oP12_59_a_e_b_e:Ba-Fe-O-S +mp-1201400,BaSi(S2O7)3,-6.7166938306,-2.0255402063,0.0,-0.0082244905,GGA,Pbca,AB21C6D_oP232_61_c_21c_6c_c:Ba-O-S-Si,232.0,AB21C6D_oP232_61_c_21c_6c_c:Ba-O-S-Si +mp-1112316,CsK2GaF6,-4.724985745,-2.9636687356,0.101648958,0.101648958,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ga-K,10.0,AB6CD2_cF40_225_a_e_b_c:Cs-F-Ga-K +mp-6654,Cs2LiGaF6,-4.902142522,-3.0824727782,0.0,-0.0113890288,GGA,P-3m1,A2B6CD_hP10_164_d_i_a_b:Cs-F-Ga-Li,10.0,A2B6CD_hP10_164_d_i_a_b:Cs-F-Ga-Li +mp-989531,Cs2KGaF6,-4.81893942,-3.0791220681,0.0,-0.0405103487,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-K,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Ga-K +mp-1111112,K2LiGaF6,-4.972902066,-3.1102330072,0.0,-0.0355464187,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ga-K-Li +mp-15079,Cs4KLiGa2F12,-4.8665065685,-3.0867630207,0.0,-0.0059655975,GGA,R-3m,A4B12C2DE_hR60_166_2c_2h_c_a_b:Cs-F-Ga-K-Li,20.0,A4B12C2DE_hR60_166_2c_2h_c_a_b:Cs-F-Ga-K-Li +mp-29794,Ba2PdF6,-5.5708616722,-3.2945610617,0.0,-0.0043148511,GGA,Cmce,A2B6C_oC36_64_d_eg_a:Ba-F-Pd,18.0,"Invalid WP multiplicities - A2B6C_oC36_64_d_e2g_a:Ba-F-Pd, expected Ba2PdF10 to be Ba2PdF6" +mp-6123,Ba2Pd(OF)2,-6.0716709629,-2.8239328132,0.0518029225,0.0518029225,GGA,I4/mmm,A2B2C2D_tI14_139_e_d_c_a:Ba-F-O-Pd,7.0,A2B2C2D_tI14_139_e_d_c_a:Ba-F-O-Pd +mp-12622,SrPdF4,-5.2856252,-2.8664100111,0.0,-0.0491468244,GGA,I4/mcm,A4BC_tI24_140_l_d_a:F-Pd-Sr,12.0,A4BC_tI24_140_l_d_a:F-Pd-Sr +mp-1227694,BaSr3Pd2(OF)4,-6.0876574629,-2.8890939175,0.0699368486,0.0699368486,GGA,P4mm,AB4C4D2E3_tP14_99_a_2c_2c_ab_a2b:Ba-F-O-Pd-Sr,14.0,"Invalid WP multiplicities - AB4C4D2E3_tP14_99_a_4c_4c_ab_a2b:Ba-F-O-Pd-Sr, expected BaSr3Pd2(OF)8 to be BaSr3Pd2(OF)4" +mp-1227333,BaSrPd(OF)2,-6.0816465414,-2.8666914613000003,0.0776448043,0.0776448043,GGA,I4mm,AB2C2DE_tI14_107_a_b_b_a_a:Ba-F-O-Pd-Sr,7.0,AB2C2DE_tI14_107_a_b_b_a_a:Ba-F-O-Pd-Sr +mp-12623,BaPdF4,-5.3108393617,-2.8533772583,0.0,-0.0319644814,GGA,I4/mcm,AB4C_tI24_140_a_l_d:Ba-F-Pd,12.0,AB4C_tI24_140_a_l_d:Ba-F-Pd +mp-1227495,BaSrPdF6,-5.5480116594,-3.2972089919,0.0158953306,0.0158953306,GGA,Aea2,AB6CD_oC36_41_a_3b_a_a:Ba-F-Pd-Sr,18.0,AB6CD_oC36_41_a_3b_a_a:Ba-F-Pd-Sr +mp-1202494,Mg9Si10Pb8(CO16)3,-7.08588537,-2.4258349607,0.1650351804,0.1650351804,GGA,C2,A3B9C48D8E10_mC156_5_ac_3b3c_2a23c_4c_5c:C-Mg-O-Pb-Si,78.0,A3B9C48D8E10_mC156_5_ac_3b3c_2a23c_4c_5c:C-Mg-O-Pb-Si +mp-1039804,Mg30SiCO32,-6.2598311166,-2.807386995,0.2173568455,0.2173568455,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Si, expected Mg110SiCO72 to be Mg30SiCO32" +mp-1039816,Mg30SiCO32,-6.3155248652,-2.8630807436,0.1616630969,0.1616630969,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Si, expected Mg90SiCO80 to be Mg30SiCO32" +mp-1030856,Mg6SiCO8,-6.1228260563,-2.1335027117,0.8033517520000001,0.8033517520000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Si, expected Mg6SiCO12 to be Mg6SiCO8" +mp-1030861,Mg6SiCO8,-6.2522728213,-2.2629494767,0.673904987,0.673904987,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Si, expected Mg6SiCO12 to be Mg6SiCO8" +mp-1034615,Mg14SiCO16,-6.2976859509,-2.6662820884,0.3291652932,0.3291652932,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Si, expected Mg18SiCO20 to be Mg14SiCO16" +mp-1034591,Mg14SiCO16,-6.2122346247,-2.5808307621,0.4146166195,0.4146166195,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Si, expected Mg30SiCO32 to be Mg14SiCO16" +mp-1518330,KCaCeNbO6,-8.010200688,-3.1271481591,0.141518944,0.141518944,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-K-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ca-Ce-K-Nb-O +mp-1203879,Cs2Te(H3O5)2,-4.9785958504,-1.0439982704,0.2269105586,0.2269105586,GGA,P2_1/c,A2B6C10D_mP76_14_2e_6e_10e_ad:Cs-H-O-Te,76.0,A2B6C10D_mP76_14_2e_6e_10e_ad:Cs-H-O-Te +mp-1201918,Cs2TeH6(ClO3)2,-4.9785289885,-1.52748943,0.0044291015,0.0044291015,GGA,P2_1/c,A2B2C6D6E_mP34_14_e_e_3e_3e_a:Cl-Cs-H-O-Te,34.0,A2B2C6D6E_mP34_14_e_e_3e_3e_a:Cl-Cs-H-O-Te +mp-1179787,RbCd6C12BrO26,-6.8101277207,-1.4312409084,0.2707949771,0.2707949771,GGA,R-3,AB12C6D26E_hR138_148_a_2f_f_c4f_b:Br-C-Cd-O-Rb,46.0,AB12C6D26E_hR138_148_a_2f_f_c4f_b:Br-C-Cd-O-Rb +mp-556521,KNa7Pb2O7,-4.6643836993,-1.5808430452,0.0,-0.0102479033,GGA,P2_1/c,AB7C7D2_mP68_14_e_7e_7e_2e:K-Na-O-Pb,68.0,"Invalid WP multiplicities - AB7C7D2_mP68_14_e_27e_23e_4e:K-Na-O-Pb, expected KNa27Pb4O23 to be KNa7Pb2O7" +mp-1223483,KNaAs6(PbO3)8,-6.2738562615,-1.803622754,0.0,-0.0001644686,GGA,P3,A6BCD24E8_hP40_143_2d_a_b_8d_ab2d:As-K-Na-O-Pb,40.0,A6BCD24E8_hP40_143_2d_a_b_8d_ab2d:As-K-Na-O-Pb +mp-1223607,KAs3(PbO3)4,-6.274020258,-1.8090899092,0.0,-0.0311969689,GGA,P6_3,A3BC12D4_hP40_173_c_b_4c_bc:As-K-O-Pb,40.0,A3BC12D4_hP40_173_c_b_4c_bc:As-K-O-Pb +mp-1220871,NaAs3(PbO3)4,-6.2733633277,-1.7978266616,0.0,-0.0194857673,GGA,P6_3,A3BC12D4_hP40_173_c_b_4c_bc:As-Na-O-Pb,40.0,A3BC12D4_hP40_173_c_b_4c_bc:As-Na-O-Pb +mp-1093762,KNa2Pb,-1.03582927,0.831194881,0.9713785128,0.9713785128,GGA,Immm,AB2C_oI8_71_a_e_b:K-Na-Pb,4.0,AB2C_oI8_71_a_e_b:K-Na-Pb +mp-1234177,Rb2CaNd2(WO4)4,-8.3922815564,-2.6129814288,0.0931614989,0.0931614989,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Ca-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Ca-Nd-O-Rb-W +mp-1233681,Rb2CaNd2(WO4)4,-8.3746171296,-2.595317002,0.1108259257,0.1108259257,GGA+U,C2,AB2C16D2E4_mC50_5_a_ab_8c_ab_2c:Ca-Nd-O-Rb-W,25.0,"Invalid WP multiplicities - AB2C16D2E4_mC50_5_a_ab_13c_ab_3c:Ca-Nd-O-Rb-W, expected Rb2CaNd2(W3O13)2 to be Rb2CaNd2(WO4)4" +mp-1104756,TlV4FeS8,-6.8005578457,-1.0677087335,0.0562470765,0.0562470765,GGA,C2/m,AB8CD4_mC28_12_a_4i_d_2i:Fe-S-Tl-V,14.0,AB8CD4_mC28_12_a_4i_c_2i:Fe-S-Tl-V +mp-2232131,MgTlV4FeS8,-6.4820966167,-1.0247521086,0.1750644286,0.1750644286,GGA,Cm,ABC8DE4_mC30_8_a_a_8a_a_4a:Fe-Mg-S-Tl-V,15.0,ABC8DE4_mC30_8_a_a_8a_a_4a:Fe-Mg-S-Tl-V +mp-2232250,MgTlV4FeS8,-6.4608413973,-1.0034968892,0.1963196479,0.1963196479,GGA,Cm,ABC8DE4_mC30_8_a_a_8a_a_4a:Fe-Mg-S-Tl-V,15.0,ABC8DE4_mC30_8_a_a_8a_a_4a:Fe-Mg-S-Tl-V +mp-1247193,Mg2V3FeS8,-6.2964302936,-1.1525804039,0.1587778264,0.1587778264,GGA,R-3m,AB2C8D3_hR42_166_a_c_ch_d:Fe-Mg-S-V,14.0,"Invalid WP multiplicities - AB2C8D3_hR42_166_a_c_2c2h_d:Fe-Mg-S-V, expected Mg2V3FeS16 to be Mg2V3FeS8" +mp-1247206,Mg2VFe3S8,-5.9895024429,-0.9333503904,0.2099845505,0.2099845505,GGA,R-3m,A3B2C8D_hR42_166_d_c_ch_a:Fe-Mg-S-V,14.0,"Invalid WP multiplicities - A3B2C8D_hR42_166_d_c_2c3h_a:Fe-Mg-S-V, expected Mg2VFe3S22 to be Mg2VFe3S8" +mp-2223118,MgTl2(FeS2)2,-4.9683328967,-0.5448430932,0.3352370491,0.3352370491,GGA,Cm,A2BC4D2_mC18_8_b_a_4a_2a:Fe-Mg-S-Tl,9.0,A2BC4D2_mC18_8_b_a_4a_2a:Fe-Mg-S-Tl +mp-2240080,MgTl2(FeS2)2,-5.0492174344,-0.6257276310000001,0.2543525114,0.2543525114,GGA,Cm,A2BC4D2_mC18_8_b_a_4a_2a:Fe-Mg-S-Tl,9.0,A2BC4D2_mC18_8_b_a_4a_2a:Fe-Mg-S-Tl +mp-1247175,MgVFeS4,-6.1433522679,-1.0433512968,0.1839952888,0.1839952888,GGA,Imma,ABC4D_oI28_74_a_e_hi_c:Fe-Mg-S-V,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_a_e_3h3i_c:Fe-Mg-S-V, expected MgVFeS12 to be MgVFeS4" +mp-561248,SmCuTeS,-5.4506006981,-1.4262135568,0.0,-0.0072877787,GGA,Pbca,ABCD_oP32_61_c_c_c_c:Cu-S-Sm-Te,32.0,ABCD_oP32_61_c_c_c_c:Cu-S-Sm-Te +mp-1190446,Sm2CuTe2(SO7)2,-6.9116812367,-2.2759892168,0.0,-0.01062961,GGA,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Sm-Te,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Sm-Te +mp-1205770,ErMgTl,-3.13965663,-0.2961092944,0.0,-0.0823420027,GGA,P-62m,ABC_hP9_189_f_g_ad:Er-Mg-Tl,9.0,ABC_hP9_189_f_g_ad:Er-Mg-Tl +mp-983556,Er2MgTl,-3.4827333225,-0.2081431183,0.017700571,0.017700571,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Er-Mg-Tl,4.0,A2BC_cF16_225_c_a_b:Er-Mg-Tl +mp-1233095,Er2MgTl2(WO4)4,-8.3076297816,-2.4500080111,0.0926076799,0.0926076799,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W +mp-1233638,Er2MgTl2(WO4)4,-8.3218408428,-2.4642190723,0.0783966187,0.0783966187,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W +mp-1234838,Er2MgTl2(WO4)4,-8.3342127016,-2.4765909311,0.0660247599,0.0660247599,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Er-Mg-O-Tl-W +mp-1233962,Er2MgTl2(WO4)4,-8.307590342,-2.4499685715,0.0926471195,0.0926471195,GGA+U,C2,A2BC16D2E4_mC50_5_ab_a_8c_ab_2c:Er-Mg-O-Tl-W,25.0,"Invalid WP multiplicities - A2BC16D2E4_mC50_5_ab_a_16c_ab_4c:Er-Mg-O-Tl-W, expected Er2MgTl2(WO4)8 to be Er2MgTl2(WO4)4" +mp-1184238,ErMgTl2,-2.9087142275,-0.1853929392,0.0366890317,0.0366890317,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Er-Mg-Tl,4.0,ABC2_cF16_225_a_b_c:Er-Mg-Tl +mp-728418,ZrCd(CO2)8,-7.9166977099,-1.668738721,0.2340360799,0.2340360799,GGA,P6_422,A8BC16D_hP78_181_2k_c_4k_d:C-Cd-O-Zr,78.0,"Invalid WP multiplicities - A8BC16D_hP78_181_3k_c_8k_d:C-Cd-O-Zr, expected ZrCd(C3O8)4 to be ZrCd(CO2)8" +mp-1212421,Na2ZrCd(CO3)8,-6.6795084892,-0.9943558784,0.8039711979,0.8039711979,GGA,P6_222,A8BC2D24E_hP108_180_2k_c_ab_2f5k_d:C-Cd-Na-O-Zr,108.0,A8BC2D24E_hP108_180_2k_c_ab_2f5k_d:C-Cd-Na-O-Zr +mp-1209837,Sr2Ca49Mo12N56O3,-6.9438050683,-1.0955676561,0.0143077519,0.0143077519,GGA+U,P-1,A49B12C56D3E2_aP122_2_b24i_6i_28i_ci_i:Ca-Mo-N-O-Sr,122.0,A49B12C56D3E2_aP122_2_b24i_6i_28i_ci_i:Ca-Mo-N-O-Sr +mp-6164,Sr4MoN4O,-6.8774604716,-1.2878312382,0.2085871457,0.2085871457,GGA+U,P2_1/m,AB4CD4_mP80_11_2ef_4e6f_2ef_a3e6f:Mo-N-O-Sr,80.0,"Invalid WP multiplicities - AB4CD4_mP80_11_2ef_5e8f_2ef_a4e7f:Mo-N-O-Sr, expected Sr19Mo4N21O4 to be Sr4MoN4O" +mp-1228625,BaAl2Si3O14,-7.160305843,-2.4133197106,0.3226893827,0.3226893827,GGA,P2_12_12,A2BC14D3_oP40_18_c_a_7c_bc:Al-Ba-O-Si,40.0,A2BC14D3_oP40_18_c_a_7c_bc:Al-Ba-O-Si +mp-9578,Ba3(AlSi)2,-3.7879178814,-0.3452446614,0.0,-0.0184577108,GGA,Immm,A2B3C2_oI14_71_e_af_f:Al-Ba-Si,7.0,A2B3C2_oI14_71_e_af_f:Al-Ba-Si +mp-1211834,KAl2(SiO3)4,-7.8265272045,-3.1074173486,0.095719567,0.095719567,GGA,C2/c,A2BC12D4_mC76_15_f_e_6f_2f:Al-K-O-Si,38.0,A2BC12D4_mC76_15_f_e_6f_2f:Al-K-O-Si +mp-1223541,KAlSiO4,-7.4826957414,-3.1872603626,0.0025214011,-0.0465166647,GGA,P1,ABC4D_aP14_1_2a_2a_8a_2a:Al-K-O-Si,14.0,ABC4D_aP14_1_2a_2a_8a_2a:Al-K-O-Si +mp-560173,KAlSiO4,-7.4839213099,-3.188485931,0.0012958326,-0.0477422331,GGA,P2_1,ABC4D_mP84_4_6a_6a_24a_6a:Al-K-O-Si,84.0,"Invalid WP multiplicities - ABC4D_mP84_4_11a_11a_47a_11a:Al-K-O-Si, expected K11Al11Si11O47 to be KAlSiO4" +mp-1223549,KAlSiO4,-7.12887679,-2.8334414111,0.3563403525,0.3073022868,GGA,P3,ABC4D_hP7_143_b_c_ad_a:Al-K-O-Si,7.0,ABC4D_hP7_143_b_c_ad_a:Al-K-O-Si +mp-9480,KAlSiO4,-7.4833951929,-3.187959814,0.0018219496,-0.0472161161,GGA,P31c,ABC4D_hP14_159_b_a_bc_b:Al-K-O-Si,14.0,ABC4D_hP14_159_b_a_bc_b:Al-K-O-Si +mp-8355,KAlSiO4,-7.4830512321,-3.1876158533,0.0021659104,-0.0468721554,GGA,P6_3,ABC4D_hP14_173_b_a_bc_b:Al-K-O-Si,14.0,ABC4D_hP14_173_b_a_bc_b:Al-K-O-Si +mp-680374,KAlSiO4,-7.4852171425,-3.1897817636,0.0,-0.0490380657,GGA,P6_3,ABC4D_hP168_173_4c_a2b3c_16c_4c:Al-K-O-Si,168.0,"Invalid WP multiplicities - ABC4D_hP168_173_21c_2a4b14c_90c_19c:Al-K-O-Si, expected K16Al21Si19O90 to be KAlSiO4" +mp-1224055,K2Ba7(Si2O5)8,-7.9231295791,-3.3027255882,0.0,-0.0021080056,GGA,C2/m,A7B2C40D16_mC130_12_a3i_i_eh4i7j_4j:Ba-K-O-Si,,A7B2C40D16_mC130_12_a3i_i_fh4i7j_4j:Ba-K-O-Si +mp-1019744,K2Al2Si3O10,-7.632310934699999,-3.1937938314,0.017998481,0.017998481,GGA,Fdd2,A2B2C10D3_oF136_43_b_b_5b_ab:Al-K-O-Si,34.0,A2B2C10D3_oF136_43_b_b_5b_ab:Al-K-O-Si +mp-14049,Ba3Al2(SiO4)3,-7.6006934627,-3.1564787075,0.2723653662,0.2723653662,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Ba-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Ba-O-Si +mp-736542,K3Al2Si4O13,-7.4398120003,-3.0384222791,0.0378389861,0.0378389861,GGA,P2_1/c,A2B3C13D4_mP88_14_2e_3e_13e_4e:Al-K-O-Si,88.0,A2B3C13D4_mP88_14_2e_3e_13e_4e:Al-K-O-Si +mp-558347,K4Ba(SiO3)3,-6.8385026726,-2.8881071892,0.0020140821,0.0020140821,GGA,Ama2,AB4C9D3_oC68_40_b_2a2b_a2b3c_bc:Ba-K-O-Si,34.0,"Invalid WP multiplicities - AB4C9D3_oC68_40_b_4a3b_2a4b11c_2b2c:Ba-K-O-Si, expected K7Ba(Si3O14)2 to be K4Ba(SiO3)3" +mp-976307,K4Ba(SiO3)3,-6.8249679612000005,-2.8745724777,0.0155487935,0.0155487935,GGA,Ama2,AB4C9D3_oC68_40_b_2a2b_a2b3c_bc:Ba-K-O-Si,34.0,AB4C9D3_oC68_40_b_2a2b_a2b3c_bc:Ba-K-O-Si +mp-13149,BaAlSi,-4.0608036667,-0.3641807333,0.0,-0.0493016312,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Ba-Si,3.0,ABC_hP3_187_a_d_e:Al-Ba-Si +mp-677121,KBaAl3Si5O16,-7.9778554708,-3.3417127436,0.0095029173,0.0095029173,GGA,P1,A3BCD16E5_aP26_1_3a_a_a_16a_5a:Al-Ba-K-O-Si,26.0,A3BCD16E5_aP26_1_3a_a_a_16a_5a:Al-Ba-K-O-Si +mp-6091,BaAl2(SiO4)2,-8.0577198423,-3.4550835077,0.0,-0.0655737161,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Al-Ba-O-Si,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:Al-Ba-O-Si +mp-17979,BaAl2(SiO4)2,-8.0556784406,-3.453042106,0.0020414017,-0.0635323144,GGA,C2/c,A2BC8D2_mC104_15_2f_f_8f_2f:Al-Ba-O-Si,52.0,"Invalid WP multiplicities - A2BC8D2_mC104_15_2f_f_8f_5f:Al-Ba-O-Si, expected BaAl2Si5O8 to be BaAl2(SiO4)2" +mp-1019535,BaAl2(SiO4)2,-8.0530658623,-3.4504295277,0.00465398,-0.0609197361,GGA,P-3,A2BC8D2_hP13_147_d_a_dg_d:Al-Ba-O-Si,13.0,A2BC8D2_hP13_147_d_a_dg_d:Al-Ba-O-Si +mp-1227986,BaAl2(SiO4)2,-8.0378840662,-3.4352477315,0.0198357762,-0.04573794,GGA,P-3m1,A2BC8D2_hP13_164_d_a_di_d:Al-Ba-O-Si,13.0,A2BC8D2_hP13_164_d_a_di_d:Al-Ba-O-Si +mp-1223586,KAl(SiO3)3,-7.5268148971,-2.8373772351,0.1780171637,0.1780171637,GGA,P3m1,ABC9D3_hP14_156_a_b_abc2d_a2c:Al-K-O-Si,14.0,ABC9D3_hP14_156_a_b_abc2d_a2c:Al-K-O-Si +mp-1019788,K4Al3(SiO4)3,-7.1845761402,-3.0339151446,0.0123800727,0.0123800727,GGA,P-43n,A3B4C12D3_cP44_218_c_e_i_d:Al-K-O-Si,44.0,A3B4C12D3_cP44_218_c_e_i_d:Al-K-O-Si +mp-1198051,K2Al2Si2O9,-7.1773248503,-2.8384725827,0.1386570634,0.1386570634,GGA,P2_12_12_1,A2B2C9D2_oP60_19_2a_2a_9a_2a:Al-K-O-Si,60.0,A2B2C9D2_oP60_19_2a_2a_9a_2a:Al-K-O-Si +mp-697670,KAlSi3O8,-7.9169969338,-3.2473478141,0.0,-0.0135374669,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-K-O-Si,26.0,ABC8D3_aP26_2_i_i_8i_3i:Al-K-O-Si +mp-1223636,KAlSi3O8,-7.9128031773,-3.2431540575,0.0041937565,-0.0093437104,GGA,P-1,ABC8D3_aP26_2_i_i_8i_3i:Al-K-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_14i_5i:Al-K-O-Si, expected KAlSi5O14 to be KAlSi3O8" +mp-1223613,KAlSi3O8,-7.9100473165,-3.2403981968,0.0069496173,-0.0065878496,GGA,C2,ABC8D3_mC52_5_c_c_2a7c_3c:Al-K-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_mC52_5_c_c_2a10c_4c:Al-K-O-Si, expected KAlSi4O11 to be KAlSi3O8" +mp-1223534,KAlSi3O8,-7.7279582923,-3.0583091725,0.1890386415,0.1755011746,GGA,Cm,ABC8D3_mC26_8_a_a_8a_3a:Al-K-O-Si,13.0,ABC8D3_mC26_8_a_a_8a_3a:Al-K-O-Si +mp-706815,KBa7Al15Si17O64,-8.0173703957,-3.4063574629,0.0227590831,0.0227590831,GGA,P1,A15B7CD64E17_aP104_1_15a_7a_a_64a_17a:Al-Ba-K-O-Si,104.0,A15B7CD64E17_aP104_1_15a_7a_a_64a_17a:Al-Ba-K-O-Si +mp-1223764,K2Ba5(Si2O5)6,-7.8787020651,-3.280331651,0.0019591311,0.0019591311,GGA,C2,A5B2C30D12_mC98_5_a2c_c_2b14c_6c:Ba-K-O-Si,49.0,"Invalid WP multiplicities - A5B2C30D12_mC98_5_a2c_c_2b19c_9c:Ba-K-O-Si, expected K2Ba5(Si9O20)2 to be K2Ba5(Si2O5)6" +mp-1204499,BaAl2(SiO5)2,-7.2870640426,-2.6385540577,0.3558516489,0.3558516489,GGA,Pm,A2BC10D2_mP120_6_8c_ab3c_4a4b36c_8c:Al-Ba-O-Si,120.0,A2BC10D2_mP120_6_8c_ab3c_4a4b36c_8c:Al-Ba-O-Si +mp-5506,Ba(AlSi)2,-4.321540004,-0.269387472,0.0,-0.043321332,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:Al-Ba-Si,20.0,A2BC2_oP20_62_2c_c_2c:Al-Ba-Si +mp-567377,Ba(AlSi)2,-4.272157754,-0.220005222,0.04938225,0.006060918,GGA,Cmcm,A2BC2_oC20_63_f_c_f:Al-Ba-Si,10.0,A2BC2_oC20_63_f_c_f:Al-Ba-Si +mp-12863,Ba(AlSi)2,-4.312824832,-0.2606722999999999,0.008715172,-0.03460616,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Al-Ba-Si,5.0,A2BC2_tI10_139_d_a_e:Al-Ba-Si +mp-1223669,KAl3(SiO4)3,-7.5852415055,-2.9545391338,0.197855007,0.197855007,GGA,Cc,A3BC12D3_mC76_9_3a_a_12a_3a:Al-K-O-Si,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_9_4a_a_18a_4a:Al-K-O-Si, expected KAl4(Si2O9)2 to be KAl3(SiO4)3" +mp-1223735,KAl3(SiO4)3,-7.5862570942,-2.9555547225,0.1968394183,0.1968394183,GGA,Cc,A3BC12D3_mC76_9_3a_a_12a_3a:Al-K-O-Si,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_9_4a_a_18a_4a:Al-K-O-Si, expected KAl4(Si2O9)2 to be KAl3(SiO4)3" +mp-1223770,KAl3(SiO4)3,-7.6770634544,-3.0463610827,0.1060330581,0.1060330581,GGA,P3_1,A3BC12D3_hP57_144_3a_a_12a_3a:Al-K-O-Si,57.0,A3BC12D3_hP57_144_3a_a_12a_3a:Al-K-O-Si +mp-1211755,KAl2Si4O11,-7.7841653844,-3.0776987983,0.153914893,0.153914893,GGA,C2/c,A2BC11D4_mC72_15_f_e_a5f_2f:Al-K-O-Si,36.0,A2BC11D4_mC72_15_f_e_c5f_2f:Al-K-O-Si +mp-1180795,KAlSi2,-3.8720938738,0.0545588355,0.0693737081,0.0693737081,GGA,I4_1/acd,ABC2_tI64_142_f_f_g:Al-K-Si,32.0,ABC2_tI64_142_f_f_g:Al-K-Si +mp-1181028,K3Al3Si3O16,-6.5742632668,-2.1746273548,0.5047893267,0.5047893267,GGA,P1,A3B3C16D3_aP50_1_6a_6a_32a_6a:Al-K-O-Si,50.0,A3B3C16D3_aP50_1_6a_6a_32a_6a:Al-K-O-Si +mp-1223598,KAl(SiO3)2,-7.739433006,-3.2007586956,0.0264410009,0.0264410009,GGA,C222_1,ABC6D2_oC80_20_c_ab_6c_abc:Al-K-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_oC80_20_c_ab_12c_abc:Al-K-O-Si, expected KAl(SiO6)2 to be KAl(SiO3)2" +mp-554433,KAl(SiO3)2,-7.762218135,-3.2235438246,0.0036558719,0.0036558719,GGA,I4_1/a,ABC6D2_tI160_88_f_f_6f_2f:Al-K-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_tI160_88_f_f_38f_9f:Al-K-O-Si, expected KAlSi9O38 to be KAl(SiO3)2" +mp-1181274,K2Al2(SiO4)3,-7.1320953861,-2.6400865345,0.2336223765,0.2336223765,GGA,P1,A2B2C12D3_aP38_1_4a_4a_24a_6a:Al-K-O-Si,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_9_4a_4a_24a_5a:Al-K-O-Si, expected K4Al4Si5O24 to be K2Al2(SiO4)3" +mp-1199876,K2Al2(SiO4)3,-7.119902325,-2.6278934735,0.2458154376,0.2458154376,GGA,Fdd2,A2B2C12D3_oF152_43_b_b_6b_ab:Al-K-O-Si,38.0,A2B2C12D3_oF152_43_b_b_6b_ab:Al-K-O-Si +mp-727941,KAl4(SiO6)2,-7.2480061666,-2.7057112791,0.3886017526,0.3886017526,GGA,C2/c,A4BC12D2_mC76_15_2f_e_6f_f:Al-K-O-Si,38.0,A4BC12D2_mC76_15_2f_e_6f_f:Al-K-O-Si +mp-1047496,Ca2YCoO5,-7.5096071644,-2.8074480284,0.1316482848,0.1316482848,GGA+U,C2,A2BC5D_mC36_5_2c_ab_5c_c:Ca-Co-O-Y,18.0,"Invalid WP multiplicities - A2BC5D_mC36_5_4c_ab_5c_c:Ca-Co-O-Y, expected Ca4YCoO5 to be Ca2YCoO5" +mp-1227618,Ca9Y3(CoO6)4,-7.1571359307,-2.542045618,0.0534968109,0.0534968109,GGA+U,P1,A9B4C24D3_aP40_1_9a_4a_24a_3a:Ca-Co-O-Y,40.0,A9B4C24D3_aP40_1_9a_4a_24a_3a:Ca-Co-O-Y +mp-1227804,Ca9Y3(CoO6)4,-7.1599464463,-2.5448561335,0.0506862954,0.0506862954,GGA+U,P1,A9B4C24D3_aP40_1_9a_4a_24a_3a:Ca-Co-O-Y,40.0,A9B4C24D3_aP40_1_9a_4a_24a_3a:Ca-Co-O-Y +mp-1228573,Ba2CaY(Co4O7)2,-7.2841444885,-1.9599058273,0.028907651,0.028907651,GGA+U,Cm,A2BC8D14E_mC52_8_2a_a_4a2b_6a4b_a:Ba-Ca-Co-O-Y,26.0,A2BC8D14E_mC52_8_2a_a_4a2b_6a4b_a:Ba-Ca-Co-O-Y +mp-698728,Ba2CaY(Co4O7)2,-6.8994326608000005,-1.5751939996000002,0.4136194787,0.4136194787,GGA+U,P3m1,A2BC8D14E_hP26_156_ab_a_2c2d_2c4d_b:Ba-Ca-Co-O-Y,26.0,"Invalid WP multiplicities - A2BC8D14E_hP26_156_ab_a_2c3d_2c11d_b:Ba-Ca-Co-O-Y, expected Ba2CaYCo11O35 to be Ba2CaY(Co4O7)2" +mp-566150,In2Cu3(PO4)4,-6.8988004478,-2.1547517727,0.0040566734,0.0040566734,GGA,P2_1/c,A3B2C16D4_mP50_14_ae_e_8e_2e:Cu-In-O-P,50.0,"Invalid WP multiplicities - A3B2C16D4_mP50_14_2a3e_e_29e_4e:Cu-In-O-P, expected InCu4P4O29 to be In2Cu3(PO4)4" +mp-1226046,CsInCu(PO3)6,-7.2667901863,-2.4791418672,0.0,-0.0054531998,GGA,P1,ABCD18E6_aP27_1_a_a_a_18a_6a:Cs-Cu-In-O-P,27.0,ABCD18E6_aP27_1_a_a_a_18a_6a:Cs-Cu-In-O-P +mp-638252,Cs2Cu3(P2O7)2,-6.8078834565,-2.2428714244,0.0,-0.0150163109,GGA,P2_1/c,A2B3C14D4_mP46_14_e_ae_7e_2e:Cs-Cu-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_14_e_2a3e_25e_6e:Cs-Cu-O-P, expected CsCu4P6O25 to be Cs2Cu3(P2O7)2" +mp-704617,InCuPO5,-6.6866960547000005,-2.0619914968,0.0292905903,0.0292905903,GGA,Pnma,ABC5D_oP32_62_a_c_3cd_c:Cu-In-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_9c4d_c:Cu-In-O-P, expected InCuPO17 to be InCuPO5" +mp-1191467,Cs2CuP2O7,-6.68801051,-2.4093907261,0.0,-0.0207398121,GGA,Cc,A2BC7D2_mC48_9_2a_a_7a_2a:Cs-Cu-O-P,24.0,A2BC7D2_mC48_9_2a_a_7a_2a:Cs-Cu-O-P +mp-1232361,CsIn(Cu3O4)2,-5.3457089269,-1.1072191886,0.0802352008,0.0802352008,GGA,Fm-3m,AB6CD8_cF64_225_a_d_b_f:Cs-Cu-In-O,16.0,AB6CD8_cF64_225_a_d_b_f:Cs-Cu-In-O +mp-1516731,BaEuSnWO6,-8.412040706,-2.5296595968,0.0908769346,0.0908769346,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Sn-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Sn-W, expected BaEuSnWO12 to be BaEuSnWO6" +mp-1516734,BaEuSnWO6,-8.403341081,-2.5209599718,0.0995765596,0.0995765596,GGA+U,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Sn-W,40.0,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Sn-W +mp-1516693,BaEuSnWO6,-8.316870821,-2.4344897118,0.1860468196,0.1860468196,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-W +mp-1522211,NaPrMnWO6,-8.284405059000001,-2.4940341752,0.113067666,0.113067666,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Pr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Pr-W +mp-1235545,Ba2LiY2(Fe2O5)2,-7.7974775568,-2.427646666,0.1318766699,0.1318766699,GGA+U,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Li-O-Y,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Li-O-Y +mp-1236033,Ba2LiY2(Fe2O5)2,-7.7760168111,-2.4061859202,0.1533374157,0.1533374157,GGA+U,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Li-O-Y,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Li-O-Y +mp-1235532,Ba2LiY2(Fe2O5)2,-7.8059319342,-2.4361010434,0.1234222925,0.1234222925,GGA+U,Pm,A2B4CD10E2_mP19_6_2a_4b_a_4a6b_2a:Ba-Fe-Li-O-Y,19.0,A2B4CD10E2_mP19_6_2a_4b_a_4a6b_2a:Ba-Fe-Li-O-Y +mp-1236411,Ba2LiY2(Fe2O5)2,-7.7823536653,-2.4125227744,0.1470005615,0.1470005615,GGA+U,Pm,A2B4CD10E2_mP19_6_2a_4b_b_4a6b_2a:Ba-Fe-Li-O-Y,19.0,A2B4CD10E2_mP19_6_2a_4b_b_4a6b_2a:Ba-Fe-Li-O-Y +mp-1236492,Ba2LiY2(Fe2O5)2,-7.7362353011,-2.3664044102,0.1931189257,0.1931189257,GGA+U,Pmm2,A2B4CD10E2_oP19_25_e_2b2d_a_2ab2cd2f_e:Ba-Fe-Li-O-Y,19.0,"Invalid WP multiplicities - A2B4CD10E2_oP19_25_e_2b2d_a_2ab2cd4f_e:Ba-Fe-Li-O-Y, expected Ba2LiY2(Fe2O7)2 to be Ba2LiY2(Fe2O5)2" +mp-1046422,SrZnCr(PO4)2,-7.5624925412,-2.7161541383000003,0.0350738273,0.0350738273,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Cr-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Cr-O-P-Sr-Zn, expected SrZnCr(PO7)2 to be SrZnCr(PO4)2" +mp-1340261,SrZnCr(PO4)2,-4.0157049169,0.8306334859000001,3.5818614515,3.5818614515,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Cr-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Cr-O-P-Sr-Zn, expected SrZnCr(PO7)2 to be SrZnCr(PO4)2" +mp-532554,AlCu2Sb(HO)12,-5.5523859781,-1.4043157108,0.0998266928,0.0998266928,GGA,P1,AB2C12D12E_aP84_1_3a_6a_36a_36a_3a:Al-Cu-H-O-Sb,84.0,AB2C12D12E_aP84_1_3a_6a_36a_36a_3a:Al-Cu-H-O-Sb +mp-2713900,CaTa5(PO4)9,-8.6632426212,-3.0143209703,0.0,-0.0051933193,GGA,P3c1,AB36C9D5_hP102_158_a_12d_3d_a2b2c:Ca-O-P-Ta,102.0,AB36C9D5_hP102_158_a_12d_3d_a2b2c:Ca-O-P-Ta +mp-1045947,Ca2Ta2TiO8,-9.0343717681,-3.2500827891,0.1548619947,0.1548619947,GGA,C2/c,A2B8C2D_mC52_15_f_4f_f_e:Ca-O-Ta-Ti,26.0,"Invalid WP multiplicities - A2B8C2D_mC52_15_f_5f_f_e:Ca-O-Ta-Ti, expected Ca2Ta2TiO10 to be Ca2Ta2TiO8" +mp-1373655,Ca2TaTiO6,-8.791979615,-3.4475194476,0.0043178805,0.0043178805,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Ca-O-Ta-Ti,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_3e_4e7f_a_c:Ca-O-Ta-Ti, expected Ca3TaTiO18 to be Ca2TaTiO6" +mp-1043751,CaTaTi(PO4)3,-8.4169496072,-3.0081139638,0.0928336135,0.0928336135,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ca-O-P-Ta-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ca-O-P-Ta-Ti, expected CaTaTi(PO18)3 to be CaTaTi(PO4)3" +mp-643655,LiAl2H6ClO6,-5.9125206366,-2.0822019038,0.0,-0.0109652697,GGA,P6_3/mcm,A2BC6DE6_hP32_193_d_a_k_b_k:Al-Cl-H-Li-O,32.0,A2BC6DE6_hP32_193_d_a_k_b_k:Al-Cl-H-Li-O +mp-1045091,Sr2AlGaW2O7,-7.6015151131,-2.1633812517,0.5012451116000001,0.5012451116000001,GGA+U,P1,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-W,26.0,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-W +mp-1046781,Sr2AlGaW2O7,-7.5457831788,-2.1076493175,0.5569770459,0.5569770459,GGA+U,P1,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-W,26.0,ABC7D2E2_aP26_1_2a_2a_14a_4a_4a:Al-Ga-O-Sr-W +mp-1046443,SrZnFe(PO4)2,-7.42060211,-2.6652657272,0.0225812043,0.0225812043,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Fe-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Fe-O-P-Sr-Zn, expected SrZnFe(PO7)2 to be SrZnFe(PO4)2" +mp-1516383,KTbEuSbO6,-7.666939156,-2.6858491205,0.1335717149,0.1335717149,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Tb +mp-1216077,Y4ZnGa3,-5.0981856937,-0.5719461774,0.0207263581,0.0207263581,GGA,Imm2,A3B4C_oI16_44_a2b_2a2b_a:Ga-Y-Zn,8.0,A3B4C_oI16_44_a2b_2a2b_a:Ga-Y-Zn +mp-1192369,BaYZn3GaO7,-6.3699194854,-2.5376430327,0.0,-0.0058570515,GGA,P6_3mc,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Ga-O-Y-Zn,26.0,ABC7DE3_hP26_186_b_a_a2c_b_c:Ba-Ga-O-Y-Zn +mp-1071737,YZnGa,-4.171205095,-0.5864348464,0.0,-0.0493874767,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-Y-Zn,6.0,ABC_hP6_194_c_a_d:Ga-Y-Zn +mp-1095902,Y2ZnGa,-2.2362438875,2.0689515773,2.5863262138,2.5863262138,GGA,Immm,AB2C_oI8_71_a_e_b:Ga-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Ga-Y-Zn +mp-1187768,Y2ZnGa,-4.8161879675,-0.5109925027000001,0.0063821337,0.0063821337,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-Y-Zn +mp-1214542,Ba6Y2Ga4O15,-7.0926411467,-2.9904371976,0.0,-0.0214147967,GGA,P2/c,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Y,54.0,A6B4C15D2_mP54_13_ef2g_2g_e7g_g:Ba-Ga-O-Y +mp-860880,Li2Mn4Si4O13,-8.2441540604,-2.7452787444,0.0147194372,0.0147194372,GGA+U,P-1,A2B4C13D4_aP46_2_2i_4i_13i_4i:Li-Mn-O-Si,46.0,"Invalid WP multiplicities - A2B4C13D4_aP46_2_3i_7i_25i_7i:Li-Mn-O-Si, expected Li3Mn7Si7O25 to be Li2Mn4Si4O13" +mp-757647,Li2Mn2(Si2O5)3,-8.0883385631,-2.9325739565,0.0565082075,0.0565082075,GGA+U,Cmce,A2B2C15D6_oC200_64_ef_de_3f6g_3g:Li-Mn-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_2ef_3d2e_12f16g_7g:Li-Mn-O-Si, expected Li3Mn5(Si7O22)2 to be Li2Mn2(Si2O5)3" +mp-849757,LiMn(Si2O5)2,-8.0777944767,-2.9378508898,0.0661137716,0.0661137716,GGA+U,P4/ncc,ABC10D4_tP64_130_b_c_f2g_g:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_b_c_4f13g_g:Li-Mn-O-Si, expected LiMn(SiO15)4 to be LiMn(Si2O5)2" +mp-757260,Li6MnSiO6,-6.3291202952,-2.3490486674,0.0985112768,0.0985112768,GGA+U,P2_13,A6BC6D_cP56_198_2b_a_3ab_a:Li-Mn-O-Si,56.0,"Invalid WP multiplicities - A6BC6D_cP56_198_13b_a_9a8b_a:Li-Mn-O-Si, expected Li39MnSiO33 to be Li6MnSiO6" +mp-755733,Li2MnSiO5,-7.2530912883,-2.4599109981,0.0900403724,0.0900403724,GGA+U,P4/nmm,A2BC5D_tP18_129_d_c_ci_b:Li-Mn-O-Si,18.0,A2BC5D_tP18_129_d_c_ci_b:Li-Mn-O-Si +mp-757422,LiMn(SiO3)2,-7.9473735044,-2.7872028558,0.0583213489,0.0583213489,GGA+U,P1,ABC6D2_aP80_1_8a_8a_48a_16a:Li-Mn-O-Si,80.0,ABC6D2_aP80_1_8a_8a_48a_16a:Li-Mn-O-Si +mp-752832,LiMn(SiO3)2,-7.947337995,-2.7871673464,0.0583568583,0.0583568583,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Li-Mn-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Li-Mn-O-Si +mp-753447,LiMn(SiO3)2,-7.9695214695,-2.8093508209,0.0361733838,0.0361733838,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Li-Mn-O-Si,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_11f_f:Li-Mn-O-Si, expected LiMn(SiO11)2 to be LiMn(SiO3)2" +mp-757013,LiMn(SiO3)2,-7.9268925454,-2.7667218968,0.0788023079,0.0788023079,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Li-Mn-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Li-Mn-O-Si, expected LiMnSi5O21 to be LiMn(SiO3)2" +mp-757866,LiMn(SiO3)2,-7.9706068379,-2.8104361893,0.0350880154,0.0350880154,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Li-Mn-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Li-Mn-O-Si, expected LiMnSi5O21 to be LiMn(SiO3)2" +mp-859122,Li9Mn5(SiO8)2,-7.1426913763,-2.3618151981,0.071389175,0.071389175,GGA+U,P-1,A9B5C16D2_aP32_2_b4i_d2i_8i_i:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A9B5C16D2_aP32_2_b7i_d4i_15i_i:Li-Mn-O-Si, expected Li15Mn9(SiO15)2 to be Li9Mn5(SiO8)2" +mp-780147,LiMnSiO4,-7.7511102318,-2.5678229413,0.0964973311,0.0964973311,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Li-Mn-O-Si, expected LiMnSiO5 to be LiMnSiO4" +mp-780196,LiMnSiO4,-7.7490324986,-2.565745208,0.0985750644,0.0985750644,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Li-Mn-O-Si, expected LiMnSiO5 to be LiMnSiO4" +mp-850949,LiMnSiO4,-7.8213652514,-2.6380779609,0.0262423115,0.0262423115,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Li-Mn-O-Si, expected LiMnSiO5 to be LiMnSiO4" +mp-780872,LiMnSiO4,-7.7606374188,-2.5773501282,0.0869701442,0.0869701442,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-Si,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Li-Mn-O-Si, expected Li3Mn3Si3O31 to be LiMnSiO4" +mp-1662331,LiMnSiO4,-7.8226973279,-2.6394100373,0.0249102351,0.0249102351,GGA+U,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_13a_a:Li-Mn-O-Si, expected LiMnSiO13 to be LiMnSiO4" +mp-831162,LiMnSiO4,-7.7619700543,-2.5786827638,0.0856375086,0.0856375086,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Mn-O-Si, expected LiMnSiO13 to be LiMnSiO4" +mp-758489,LiMnSiO4,-7.7948535346,-2.6115662441,0.0527540283,0.0527540283,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Li-Mn-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_8a_46a_9a:Li-Mn-O-Si, expected Li9Mn8Si9O46 to be LiMnSiO4" +mp-1249661,LiMnSiO4,-7.7974826198,-2.6141953292,0.0501249432,0.0501249432,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Li-Mn-O-Si,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_8a_46a_9a:Li-Mn-O-Si, expected Li9Mn8Si9O46 to be LiMnSiO4" +mp-775156,LiMnSiO4,-7.7670545305,-2.58376724,0.0805530324,0.0805530324,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Li-Mn-O-Si,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Li-Mn-O-Si, expected LiMnSiO13 to be LiMnSiO4" +mp-780533,LiMnSiO4,-7.8036384554,-2.6203511648,0.0439691076,0.0439691076,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_7c3d_c:Li-Mn-O-Si, expected LiMnSiO13 to be LiMnSiO4" +mp-755753,LiMnSiO4,-7.7740593564,-2.5907720659,0.0735482065,0.0735482065,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-Si +mp-780325,LiMnSiO4,-7.7980484571,-2.6147611666,0.0495591058,0.0495591058,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-Si,28.0,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-Si +mp-753095,LiMnSiO4,-7.7513044264,-2.5680171359,0.0963031365,0.0963031365,GGA+U,Imma,ABC4D_oI28_74_e_a_hi_c:Li-Mn-O-Si,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_2h2i_c:Li-Mn-O-Si, expected LiMnSiO8 to be LiMnSiO4" +mp-755125,LiMnSiO4,-7.7569780421,-2.5736907516,0.0906295208,0.0906295208,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Li-Mn-O-Si,28.0,ABC4D_oI28_74_a_c_hi_e:Li-Mn-O-Si +mp-780087,LiMnSiO4,-7.7716965671,-2.5884092766,0.0759109958,0.0759109958,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Li-Mn-O-Si,28.0,ABC4D_tP28_95_a_b_2d_c:Li-Mn-O-Si +mp-849390,Li2Mn(Si2O5)2,-7.8924456168,-2.9425620722,0.0538092959,0.0538092959,GGA+U,P-1,A2BC10D4_aP34_2_2i_i_10i_4i:Li-Mn-O-Si,34.0,"Invalid WP multiplicities - A2BC10D4_aP34_2_3i_i_19i_7i:Li-Mn-O-Si, expected Li3MnSi7O19 to be Li2Mn(Si2O5)2" +mp-849321,Li2Mn(Si2O5)2,-7.877200699999999,-2.9273171554,0.0690542126,0.0690542126,GGA+U,P2_1/c,A2BC10D4_mP68_14_2e_e_10e_4e:Li-Mn-O-Si,68.0,"Invalid WP multiplicities - A2BC10D4_mP68_14_5e_e_37e_13e:Li-Mn-O-Si, expected Li5MnSi13O37 to be Li2Mn(Si2O5)2" +mp-831244,Li2Mn(Si2O5)2,-7.8737279374,-2.9238443928,0.0725269753,0.0725269753,GGA+U,P2_12_12_1,A2BC10D4_oP68_19_2a_a_10a_4a:Li-Mn-O-Si,68.0,"Invalid WP multiplicities - A2BC10D4_oP68_19_5a_a_37a_13a:Li-Mn-O-Si, expected Li5MnSi13O37 to be Li2Mn(Si2O5)2" +mp-778997,Li3MnSiO5,-7.0221012645,-2.5173467167,0.0782254906,0.0782254906,GGA+U,Pna2_1,A3BC5D_oP40_33_3a_a_5a_a:Li-Mn-O-Si,40.0,"Invalid WP multiplicities - A3BC5D_oP40_33_6a_a_10a_a:Li-Mn-O-Si, expected Li6MnSiO10 to be Li3MnSiO5" +mp-754026,Li3Mn2(SiO4)2,-7.5557787973,-2.5907824684,0.0901394734,0.0901394734,GGA+U,P1,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Mn-O-Si,15.0,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Mn-O-Si +mp-753965,Li3Mn2(SiO4)2,-7.5567440723,-2.5917477434,0.0891741984,0.0891741984,GGA+U,P1,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_aP15_1_3a_4a_8a_2a:Li-Mn-O-Si, expected Li3Mn4(SiO4)2 to be Li3Mn2(SiO4)2" +mp-1306442,Li3Mn2(SiO4)2,-7.5671062293,-2.6021099004,0.0788120414,0.0788120414,GGA+U,P1,A3B2C8D2_aP30_1_6a_4a_16a_4a:Li-Mn-O-Si,30.0,A3B2C8D2_aP30_1_6a_4a_16a_4a:Li-Mn-O-Si +mp-1312705,Li3Mn2(SiO4)2,-7.556293133,-2.5912968041,0.0896251377,0.0896251377,GGA+U,P1,A3B2C8D2_aP15_1_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_aP15_1_3a_4a_8a_2a:Li-Mn-O-Si, expected Li3Mn4(SiO4)2 to be Li3Mn2(SiO4)2" +mp-780287,Li3Mn2(SiO4)2,-7.5569556643,-2.5919593354,0.0889626064,0.0889626064,GGA+U,P2_1,A3B2C8D2_mP30_4_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_mP30_4_4a_2a_14a_2a:Li-Mn-O-Si, expected Li2MnSiO7 to be Li3Mn2(SiO4)2" +mp-769538,Li3Mn2(SiO4)2,-7.55227236,-2.5872760311,0.0936459107,0.0936459107,GGA+U,P2_1,A3B2C8D2_mP30_4_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_mP30_4_5a_2a_15a_2a:Li-Mn-O-Si, expected Li5Mn2Si2O15 to be Li3Mn2(SiO4)2" +mp-769543,Li3Mn2(SiO4)2,-7.5615235603,-2.5965272314,0.0843947104,0.0843947104,GGA+U,P2_1,A3B2C8D2_mP30_4_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_mP30_4_4a_2a_16a_2a:Li-Mn-O-Si, expected Li2MnSiO8 to be Li3Mn2(SiO4)2" +mp-1177640,Li3Mn2(SiO4)2,-7.5561706367,-2.5911743077,0.089747634,0.089747634,GGA+U,C2,A3B2C8D2_mC30_5_ac_c_4c_ab:Li-Mn-O-Si,15.0,"Invalid WP multiplicities - A3B2C8D2_mC30_5_a2c_c_6c_ab:Li-Mn-O-Si, expected Li5Mn2(SiO6)2 to be Li3Mn2(SiO4)2" +mp-774171,Li3Mn2(SiO4)2,-7.5583195457,-2.5933232167,0.087598725,0.087598725,GGA+U,Pc,A3B2C8D2_mP30_7_3a_2a_8a_2a:Li-Mn-O-Si,30.0,A3B2C8D2_mP30_7_6a_4a_16a_4a:Li-Mn-O-Si +mp-774356,Li3Mn2(SiO4)2,-7.5547546693,-2.5897583404,0.0911636014,0.0911636014,GGA+U,Pc,A3B2C8D2_mP30_7_3a_2a_8a_2a:Li-Mn-O-Si,30.0,A3B2C8D2_mP30_7_6a_4a_16a_4a:Li-Mn-O-Si +mp-778489,Li3Mn2(SiO4)2,-7.5587838183,-2.5937874894,0.0871344524,0.0871344524,GGA+U,Pc,A3B2C8D2_mP30_7_3a_2a_8a_2a:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B2C8D2_mP30_7_4a_2a_14a_2a:Li-Mn-O-Si, expected Li2MnSiO7 to be Li3Mn2(SiO4)2" +mp-780653,Li10Mn(SiO5)2,-6.335168773,-2.4843528108,0.0523809068,0.0523809068,GGA+U,C2/m,A10BC10D2_mC92_12_4i3j_i_g5i2j_2i:Li-Mn-O-Si,46.0,"Invalid WP multiplicities - A10BC10D2_mC92_12_7i6j_i_g9i4j_3i:Li-Mn-O-Si, expected Li19Mn(SiO6)3 to be Li10Mn(SiO5)2" +mp-779020,Li2MnSi4O11,-7.7695782822,-2.8198722284,0.0896116098,0.0896116098,GGA+U,C2/c,A2BC11D4_mC72_15_2e_c_e5f_2f:Li-Mn-O-Si,36.0,"Invalid WP multiplicities - A2BC11D4_mC72_15_3e_a_2e17f_3f:Li-Mn-O-Si, expected Li3Mn(SiO6)6 to be Li2MnSi4O11" +mp-757188,Li2MnSi4O11,-7.7783837625,-2.8286777087,0.0808061296,0.0808061296,GGA+U,I4/m,A2BC11D4_tI72_87_h_e_abh2i_i:Li-Mn-O-Si,36.0,"Invalid WP multiplicities - A2BC11D4_tI72_87_h_e_ab3h6i_i:Li-Mn-O-Si, expected Li2MnSi4O31 to be Li2MnSi4O11" +mp-774496,Li5Mn(SiO3)4,-7.3101978342,-2.7752811851,0.0929461204,0.0929461204,GGA+U,C2,A5BC12D4_mC264_5_2a14c_ab2c_36c_12c:Li-Mn-O-Si,132.0,"Invalid WP multiplicities - A5BC12D4_hR396_155_a2cd12f_3d2e_36f_11f:Li-Mn-O-Si, expected Li80Mn15(Si11O36)6 to be Li5Mn(SiO3)4" +mp-758881,Li4Mn2Si4O13,-7.6126819949,-2.7445103681000003,0.0576659897,0.0576659897,GGA+U,Pna2_1,A4B2C13D4_oP92_33_4a_2a_13a_4a:Li-Mn-O-Si,92.0,"Invalid WP multiplicities - A4B2C13D4_oP92_33_13a_5a_49a_13a:Li-Mn-O-Si, expected Li13Mn5Si13O49 to be Li4Mn2Si4O13" +mp-757017,Li3Mn(Si2O5)3,-7.8197247001,-2.9540837905,0.0544364894,0.0544364894,GGA+U,Pnma,A3BC15D6_oP100_62_cd_c_5c5d_2c2d:Li-Mn-O-Si,100.0,"Invalid WP multiplicities - A3BC15D6_oP100_62_2c2d_c_19c22d_8c9d:Li-Mn-O-Si, expected Li6MnSi26O63 to be Li3Mn(Si2O5)3" +mp-758981,Li3Mn(Si2O5)3,-7.8212462988,-2.9556053892,0.0529148907,0.0529148907,GGA+U,Cmce,A3BC15D6_oC200_64_def_e_3f6g_3g:Li-Mn-O-Si,100.0,"Invalid WP multiplicities - A3BC15D6_oC200_64_4d2ef_e_12f20g_5g:Li-Mn-O-Si, expected Li7Mn(Si5O26)2 to be Li3Mn(Si2O5)3" +mp-752722,Li4MnSi2O7,-7.1982775966,-2.7500516111,0.0233020236,0.0233020236,GGA+U,C2,A4BC7D2_mC28_5_2c_a_b3c_c:Li-Mn-O-Si,56.0,A4BC7D2_mC28_5_2c_a_b3c_c:Li-Mn-O-Si +mp-752430,Li4MnSi2O7,-7.2106028832,-2.7623768977000003,0.010976737,0.010976737,GGA+U,Cc,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Mn-O-Si,56.0,A4BC7D2_mC56_9_4a_a_7a_2a:Li-Mn-O-Si +mp-767011,Li7Mn3(SiO6)2,-7.0554218987,-2.4279466263,0.0956358662,0.0956358662,GGA+U,C2/m,A7B3C12D2_mC48_12_aij_dh_2i2j_g:Li-Mn-O-Si,24.0,"Invalid WP multiplicities - A7B3C12D2_mC48_12_a2i2j_ch_4i7j_g:Li-Mn-O-Si, expected Li13Mn3(SiO18)2 to be Li7Mn3(SiO6)2" +mp-755970,Li3MnSiBO7,-7.2906670542,-2.5506428487,0.0597363511,0.0597363511,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Li-Mn-O-Si,52.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Li-Mn-O-Si +mp-774444,Li2Mn3(SiO3)4,-8.0963585418,-2.7456238625,0.0781575599,0.0781575599,GGA+U,Pnma,A2B3C12D4_oP84_62_2c_a2c_6d_2d:Li-Mn-O-Si,84.0,"Invalid WP multiplicities - A2B3C12D4_oP84_62_5c_2a6c_21d_5d:Li-Mn-O-Si, expected Li5Mn8(Si5O21)2 to be Li2Mn3(SiO3)4" +mp-867892,Li15Mn15SiO32,-7.4164308729,-2.181773267,0.0377652229,0.0377652229,GGA+U,P1,A15B15C32D_aP63_1_15a_15a_32a_a:Li-Mn-O-Si,63.0,A15B15C32D_aP63_1_15a_15a_32a_a:Li-Mn-O-Si +mp-772591,Li2Mn2Si2O7,-7.8854685604,-2.6839813791,0.0475952145,0.0475952145,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Li-Mn-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Li-Mn-O-Si, expected LiMnSiO5 to be Li2Mn2Si2O7" +mp-753530,Li2Mn2Si2O7,-7.8485703215,-2.6470831403,0.0844934533,0.0844934533,GGA+U,Ama2,A2B2C7D2_oC52_40_ab_c_b3c_c:Li-Mn-O-Si,26.0,"Invalid WP multiplicities - A2B2C7D2_oC52_40_ab_c_2b6c_c:Li-Mn-O-Si, expected LiMnSiO7 to be Li2Mn2Si2O7" +mp-859108,Li2Mn2Si2O7,-7.90300041,-2.7015132288,0.0300633649,0.0300633649,GGA+U,Ama2,A2B2C7D2_oC52_40_c_ab_b3c_c:Li-Mn-O-Si,26.0,A2B2C7D2_oC52_40_c_ab_b3c_c:Li-Mn-O-Si +mp-849428,Li2Mn2(SiO3)3,-7.9384775102,-2.7548507096,0.0773221214,0.0773221214,GGA+U,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_3e_3e_35e_11e:Li-Mn-O-Si, expected Li3Mn3Si11O35 to be Li2Mn2(SiO3)3" +mp-1264218,Li2Mn2(SiO3)3,-7.9543485794,-2.7707217788,0.0614510522,0.0614510522,GGA+U,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_3e_3e_35e_11e:Li-Mn-O-Si, expected Li3Mn3Si11O35 to be Li2Mn2(SiO3)3" +mp-831259,Li2Mn2(SiO3)3,-7.9323944883,-2.7487676877,0.0834051433,0.0834051433,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Li-Mn-O-Si, expected Li2Mn2(Si3O11)3 to be Li2Mn2(SiO3)3" +mp-849345,Li2Mn2(SiO3)3,-7.9469798872,-2.7633530866,0.0688197444,0.0688197444,GGA+U,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_9c12d_9c:Li-Mn-O-Si, expected Li2Mn2(Si3O11)3 to be Li2Mn2(SiO3)3" +mp-772645,Li2Mn2(SiO3)3,-7.9621037054,-2.7784769049,0.0536959261,0.0536959261,GGA+U,P3_2,A2B2C9D3_hP96_145_4a_4a_18a_6a:Li-Mn-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_hP96_145_10a_8a_53a_16a:Li-Mn-O-Si, expected Li10Mn8Si16O53 to be Li2Mn2(SiO3)3" +mp-754573,LiMn2Si2O7,-8.1198247021,-2.6439571613,0.0799952667,0.0799952667,GGA+U,Cc,AB2C7D2_mC48_9_a_2a_7a_2a:Li-Mn-O-Si,24.0,AB2C7D2_mC48_9_a_2a_7a_2a:Li-Mn-O-Si +mp-778120,Li5Mn4(Si3O10)2,-7.7846025766,-2.708078065,0.0702810971,0.0702810971,GGA+U,P1,A5B4C20D6_aP35_1_5a_4a_20a_6a:Li-Mn-O-Si,35.0,A5B4C20D6_aP35_1_5a_4a_20a_6a:Li-Mn-O-Si +mp-767709,Li2Mn3Si3O10,-8.1256521575,-2.7341670013,0.0155678291,0.0155678291,GGA+U,C2/c,A2B3C10D3_mC72_15_f_cf_5f_ef:Li-Mn-O-Si,36.0,"Invalid WP multiplicities - A2B3C10D3_mC72_15_f_a2f_17f_ef:Li-Mn-O-Si, expected Li2Mn5Si3O34 to be Li2Mn3Si3O10" +mp-1176791,Li9Mn(SiO5)2,-6.43485397,-2.4957701398,0.086052452,0.086052452,GGA+U,P1,A9BC10D2_aP44_1_18a_2a_20a_4a:Li-Mn-O-Si,44.0,A9BC10D2_aP44_1_18a_2a_20a_4a:Li-Mn-O-Si +mp-779016,Li2Mn2Si2O9,-7.6387690392,-2.4712549873,0.0871090588,0.0871090588,GGA+U,Pbcn,A2B2C9D2_oP60_60_d_d_c4d_d:Li-Mn-O-Si,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_60_d_d_2c15d_d:Li-Mn-O-Si, expected LiMnSiO16 to be Li2Mn2Si2O9" +mp-757169,Li2Mn(SiO3)2,-7.6276184432,-2.7630157747,0.0851691404,0.0851691404,GGA+U,C2,A2BC6D2_mC44_5_abc_ab_6c_2c:Li-Mn-O-Si,22.0,"Invalid WP multiplicities - A2BC6D2_mC44_5_ab2c_ab_12c_4c:Li-Mn-O-Si, expected Li3Mn(SiO3)4 to be Li2Mn(SiO3)2" +mp-1263073,Li2Mn(SiO3)2,-7.6599560623,-2.7953533938,0.0528315213,0.0528315213,GGA+U,C2,A2BC6D2_mC44_5_abc_ab_6c_2c:Li-Mn-O-Si,22.0,"Invalid WP multiplicities - A2BC6D2_mC44_5_ab2c_ab_12c_4c:Li-Mn-O-Si, expected Li3Mn(SiO3)4 to be Li2Mn(SiO3)2" +mp-764791,Li2Mn(SiO3)2,-7.6731569623,-2.8085542938,0.0396306213,0.0396306213,GGA+U,Cc,A2BC6D2_mC44_9_2a_a_6a_2a:Li-Mn-O-Si,44.0,A2BC6D2_mC44_9_2a_a_6a_2a:Li-Mn-O-Si +mp-753527,Li2Mn(SiO3)2,-7.6704685627,-2.8058658943,0.0423190208,0.0423190208,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_ae2f_f:Li-Mn-O-Si,22.0,"Invalid WP multiplicities - A2BC6D2_mC44_15_f_e_2a2e4f_f:Li-Mn-O-Si, expected Li2Mn(SiO6)2 to be Li2Mn(SiO3)2" +mp-757250,Li2Mn(SiO3)2,-7.6407468288,-2.7761441603,0.0720407548,0.0720407548,GGA+U,Pmn2_1,A2BC6D2_oP66_31_2a2b_3a_4a7b_2a2b:Li-Mn-O-Si,66.0,"Invalid WP multiplicities - A2BC6D2_oP66_31_4a6b_6a_8a26b_4a6b:Li-Mn-O-Si, expected Li8Mn3(Si4O15)2 to be Li2Mn(SiO3)2" +mp-759238,Li2Mn(SiO3)2,-7.6346964198,-2.7700937514,0.0780911637,0.0780911637,GGA+U,Pmn2_1,A2BC6D2_oP66_31_2a2b_3a_4a7b_2a2b:Li-Mn-O-Si,66.0,"Invalid WP multiplicities - A2BC6D2_oP66_31_4a6b_6a_8a26b_4a6b:Li-Mn-O-Si, expected Li8Mn3(Si4O15)2 to be Li2Mn(SiO3)2" +mp-754949,Li2Mn(SiO3)2,-7.7021293695,-2.8375267011,0.010658214,0.010658214,GGA+U,Fdd2,A2BC6D2_oF88_43_b_a_3b_b:Li-Mn-O-Si,44.0,A2BC6D2_oF88_43_b_a_3b_b:Li-Mn-O-Si +mp-774598,Li2Mn(SiO3)2,-7.6516178144,-2.7870151459,0.0611697692,0.0611697692,GGA+U,Fdd2,A2BC6D2_oF264_43_2a2b_ab_9b_2a2b:Li-Mn-O-Si,66.0,"Invalid WP multiplicities - A2BC6D2_oF264_43_4a6b_2a2b_33b_4a6b:Li-Mn-O-Si, expected Li8Mn3Si8O33 to be Li2Mn(SiO3)2" +mp-757389,Li7Mn11(Si3O16)2,-7.8727834682,-2.4265231964,0.0914255558,0.0914255558,GGA+U,P1,A7B11C32D6_aP56_1_7a_11a_32a_6a:Li-Mn-O-Si,56.0,A7B11C32D6_aP56_1_7a_11a_32a_6a:Li-Mn-O-Si +mp-761765,Li3Mn3SiO8,-7.538112169,-2.3240026893,0.0819778082,0.0819778082,GGA+U,P2/m,A3B3C8D_mP15_10_gj_ak_mno_b:Li-Mn-O-Si,30.0,"Invalid WP multiplicities - A3B3C8D_mP15_10_cj_2a2l_mno_b:Li-Mn-O-Si, expected Li3Mn6SiO8 to be Li3Mn3SiO8" +mp-768071,Li5Mn17(SiO16)2,-8.1358069857,-2.1636007515,0.0565518868,0.0565518868,GGA+U,P1,A5B17C32D2_aP56_1_5a_17a_32a_2a:Li-Mn-O-Si,56.0,A5B17C32D2_aP56_1_5a_17a_32a_2a:Li-Mn-O-Si +mp-766544,Li2Mn2Si3O10,-7.8693842232,-2.6996949574,0.0712690324,0.0712690324,GGA+U,Cc,A2B2C10D3_mC68_9_2a_2a_10a_3a:Li-Mn-O-Si,34.0,"Invalid WP multiplicities - A2B2C10D3_mC68_9_2a_2a_16a_6a:Li-Mn-O-Si, expected LiMnSi3O8 to be Li2Mn2Si3O10" +mp-780994,Li2Mn2Si4O11,-6.1940803968,-1.0226738568,1.8783188571,1.8783188571,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Li-Mn-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Li-Mn-O-Si, expected Li3Mn3(SiO3)7 to be Li2Mn2Si4O11" +mp-802450,Li2Mn2Si4O11,-7.2325777476,-2.0611712076,0.8398215063000001,0.8398215063000001,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Li-Mn-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Li-Mn-O-Si, expected Li3Mn3(SiO3)7 to be Li2Mn2Si4O11" +mp-767711,Li2Mn2Si4O11,-8.0612626382,-2.8898560981,0.0111366158,0.0111366158,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Li-Mn-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Li-Mn-O-Si, expected Li3Mn3(SiO3)7 to be Li2Mn2Si4O11" +mp-849556,Li2Mn3(SiO4)2,-8.0421793058,-2.5936434818,0.0524203427,0.0524203427,GGA+U,P1,A2B3C8D2_aP45_1_6a_9a_24a_6a:Li-Mn-O-Si,45.0,A2B3C8D2_aP45_1_6a_9a_24a_6a:Li-Mn-O-Si +mp-757670,Li4Mn2Si3O10,-7.5941406432,-2.7676899456,0.0141941888,0.0141941888,GGA+U,C2/c,A4B2C10D3_mC76_15_2f_f_5f_ef:Li-Mn-O-Si,38.0,"Invalid WP multiplicities - A4B2C10D3_mC76_15_7f_f_15f_2e3f:Li-Mn-O-Si, expected Li7MnSi4O15 to be Li4Mn2Si3O10" +mp-757876,LiMnSi3O8,-8.0053576612,-2.8576344351,0.0853915891,0.0853915891,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Li-Mn-O-Si,52.0,ABC8D3_aP26_2_i_i_8i_3i:Li-Mn-O-Si +mp-1374455,LiMnSi3O8,-4.4828827158,0.6648405103,3.6078665345,3.6078665345,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Li-Mn-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Li-Mn-O-Si, expected LiMn(SiO3)5 to be LiMnSi3O8" +mp-766967,Li2Mn3(Si3O8)2,-8.173867863,-2.877467153,0.0450366398,0.0450366398,GGA+U,P-1,A2B3C16D6_aP54_2_2i_3i_16i_6i:Li-Mn-O-Si,54.0,"Invalid WP multiplicities - A2B3C16D6_aP54_2_3i_5i_31i_11i:Li-Mn-O-Si, expected Li3Mn5Si11O31 to be Li2Mn3(Si3O8)2" +mp-753370,Li3MnSi2O7,-7.3111580169,-2.6676010222,0.0978934627,0.0978934627,GGA+U,P1,A3BC7D2_aP13_1_3a_a_7a_2a:Li-Mn-O-Si,13.0,A3BC7D2_aP13_1_3a_a_7a_2a:Li-Mn-O-Si +mp-780126,Li3MnSi2O7,-7.3511832408,-2.7076262461,0.0578682389,0.0578682389,GGA+U,P2_1,A3BC7D2_mP78_4_9a_3a_21a_6a:Li-Mn-O-Si,78.0,"Invalid WP multiplicities - A3BC7D2_mP78_4_16a_4a_41a_11a:Li-Mn-O-Si, expected Li16Mn4Si11O41 to be Li3MnSi2O7" +mp-780089,Li3MnSi2O7,-7.3409871938,-2.6974301992000003,0.0680642858,0.0680642858,GGA+U,Pnma,A3BC7D2_oP52_62_cd_a_c3d_d:Li-Mn-O-Si,52.0,"Invalid WP multiplicities - A3BC7D2_oP52_62_2c3d_a_4c9d_d:Li-Mn-O-Si, expected Li8Mn(SiO11)2 to be Li3MnSi2O7" +mp-753994,Li2MnSi3O8,-7.7788847146,-2.8625043714,0.075653985,0.075653985,GGA+U,P1,A2BC8D3_aP14_1_2a_a_8a_3a:Li-Mn-O-Si,28.0,A2BC8D3_aP14_1_2a_a_8a_3a:Li-Mn-O-Si +mp-757743,Li2MnSi3O8,-7.7788486039,-2.8624682607,0.0756900957,0.0756900957,GGA+U,P2_1,A2BC8D3_mP28_4_2a_a_8a_3a:Li-Mn-O-Si,56.0,A2BC8D3_mP28_4_2a_a_8a_3a:Li-Mn-O-Si +mp-754104,Li2MnSi3O8,-7.7695933314,-2.8532129882,0.0849453682,0.0849453682,GGA+U,P2_1,A2BC8D3_mP28_4_2a_a_8a_3a:Li-Mn-O-Si,28.0,"Invalid WP multiplicities - A2BC8D3_mP28_4_3a_a_15a_5a:Li-Mn-O-Si, expected Li3Mn(SiO3)5 to be Li2MnSi3O8" +mp-861554,Li5Mn(SiO4)2,-6.9578940941,-2.6372206331,0.0663361463,0.0663361463,GGA+U,C2,A5BC8D2_mC32_5_a2bc_a_4c_c:Li-Mn-O-Si,64.0,A5BC8D2_mC32_5_a2bc_a_4c_c:Li-Mn-O-Si +mp-765986,Li2Mn5Si5O16,-8.28691969,-2.7190078427,0.0475851127,0.0475851127,GGA+U,P1,A2B5C16D5_aP28_1_2a_5a_16a_5a:Li-Mn-O-Si,28.0,A2B5C16D5_aP28_1_2a_5a_16a_5a:Li-Mn-O-Si +mp-850291,Li2Mn5(Si2O5)6,-8.2954528645,-2.9254038871,0.0560915542,0.0560915542,GGA+U,P-62c,A2B5C30D12_hP98_190_ac_fg_2h4i_2i:Li-Mn-O-Si,98.0,"Invalid WP multiplicities - A2B5C30D12_hP98_190_a2c_2f3g_12h24i_6i:Li-Mn-O-Si, expected Li3Mn13(SiO5)36 to be Li2Mn5(Si2O5)6" +mp-757482,Li2Mn2Si5O13,-8.0974433402,-2.9349242623,0.0161192755,0.0161192755,GGA+U,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Li-Mn-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_3i_3i_25i_9i:Li-Mn-O-Si, expected Li3Mn3Si9O25 to be Li2Mn2Si5O13" +mp-831245,Li2MnSiO4,-7.4593736234,-2.6853818859,0.005338675,-0.0208202075,GGA+U,Pc,A2BC4D_mP16_7_2a_a_4a_a:Li-Mn-O-Si,32.0,A2BC4D_mP16_7_2a_a_4a_a:Li-Mn-O-Si +mp-783909,Li2MnSiO4,-7.4558171747,-2.6818254371,0.0088951237,-0.0172637587,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_5e_e_13e_e:Li-Mn-O-Si, expected Li5MnSiO13 to be Li2MnSiO4" +mp-850798,Li2MnSiO4,-7.4354841662,-2.6614924287,0.0292281322,0.0030692497,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_3e_e_7e_e:Li-Mn-O-Si, expected Li3MnSiO7 to be Li2MnSiO4" +mp-782667,Li2MnSiO4,-7.4198764984,-2.6458847609,0.0448357999999999,0.0186769175,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_mP32_14_3e_e_11e_e:Li-Mn-O-Si, expected Li3MnSiO11 to be Li2MnSiO4" +mp-755842,Li2MnSiO4,-7.4509039634,-2.6769122259,0.013808335,-0.0123505475,GGA+U,C222_1,A2BC4D_oC32_20_ab_a_2c_b:Li-Mn-O-Si,32.0,A2BC4D_oC32_20_ab_a_2c_b:Li-Mn-O-Si +mp-849346,Li2MnSiO4,-7.4101545453,-2.6361628078,0.0545577531,0.0283988706,GGA+U,Pca2_1,A2BC4D_oP64_29_4a_2a_8a_2a:Li-Mn-O-Si,64.0,"Invalid WP multiplicities - A2BC4D_oP64_29_13a_5a_29a_5a:Li-Mn-O-Si, expected Li13Mn5Si5O29 to be Li2MnSiO4" +mp-559240,Li2MnSiO4,-7.4647122984,-2.6907205609,0.0,-0.0261588825,GGA+U,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Li-Mn-O-Si,32.0,A2BC4D_oP16_31_b_a_2ab_a:Li-Mn-O-Si +mp-768020,Li2MnSiO4,-7.4450829463,-2.6710912087,0.0196293522,-0.0065295303,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Mn-O-Si, expected Li5MnSiO13 to be Li2MnSiO4" +mp-780709,Li2MnSiO4,-7.4551283862,-2.6811366487,0.0095839122,-0.0165749703,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Mn-O-Si, expected Li5MnSiO13 to be Li2MnSiO4" +mp-774639,Li2MnSiO4,-7.4532851125,-2.6792933749000003,0.0114271859,-0.0147316966,GGA+U,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_5a_a_13a_a:Li-Mn-O-Si, expected Li5MnSiO13 to be Li2MnSiO4" +mp-780666,Li2MnSiO4,-7.4539373384,-2.6799456009,0.01077496,-0.0153839225,GGA+U,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Li-Mn-O-Si,32.0,"Invalid WP multiplicities - A2BC4D_oP32_62_d_c_7c3d_c:Li-Mn-O-Si, expected Li2MnSiO13 to be Li2MnSiO4" +mp-759726,Li2MnSiO4,-7.4645267028,-2.6905349653,0.0001855956,-0.0259732869,GGA+U,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Li-Mn-O-Si,32.0,A2BC4D_oP32_62_d_c_2cd_c:Li-Mn-O-Si +mp-752844,Li2MnSiO4,-7.4464500494,-2.6724583118,0.0182622491,-0.0078966334,GGA+U,I-42m,A2BC4D_tI16_121_d_a_i_b:Li-Mn-O-Si,16.0,A2BC4D_tI16_121_d_a_i_b:Li-Mn-O-Si +mp-780734,Li2MnSiO4,-7.4081853946,-2.634193657,0.0565269039,0.0303680214,GGA+U,P3_121,A2BC4D_hP24_152_c_a_2c_b:Li-Mn-O-Si,48.0,A2BC4D_hP24_152_c_a_2c_b:Li-Mn-O-Si +mp-796795,Li2Mn5(Si2O7)2,-6.348889446,-0.7255759952,1.980840798,1.980840798,GGA+U,P-1,A2B5C14D4_aP25_2_i_a2i_7i_2i:Li-Mn-O-Si,25.0,"Invalid WP multiplicities - A2B5C14D4_aP25_2_i_a3i_13i_3i:Li-Mn-O-Si, expected Li2Mn7(Si3O13)2 to be Li2Mn5(Si2O7)2" +mp-780578,Li4Mn(SiO3)3,-7.34455442,-2.7802097582,0.0830453537,0.0830453537,GGA+U,C2,A4BC9D3_mC68_5_2a2b2c_c_ab8c_3c:Li-Mn-O-Si,34.0,"Invalid WP multiplicities - A4BC9D3_mC68_5_2a2b4c_c_ab16c_5c:Li-Mn-O-Si, expected Li6MnSi5O17 to be Li4Mn(SiO3)3" +mp-755961,Mn3Cr3(WO8)2,-8.7844602417,-2.0549407364,0.0864157415,0.0864157415,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Cr-Mn-O-W,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Cr-Mn-O-W +mp-1342249,Mn3Cr3(WO8)2,-5.4092767267,1.3202427786,3.4615992565,3.4615992565,GGA+U,P1,A3B3C16D2_aP24_1_3a_3a_16a_2a:Cr-Mn-O-W,24.0,A3B3C16D2_aP24_1_3a_3a_16a_2a:Cr-Mn-O-W +mp-776267,Li4Mn3Cr3(WO8)2,-8.2857397168,-2.2448768742,0.0647305548,0.0647305548,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Mn-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Mn-O-W, expected Li4Mn3Cr3(WO10)2 to be Li4Mn3Cr3(WO8)2" +mp-752745,Li4MnCr(WO6)2,-7.7609852925,-2.1746213313,0.0718281466,0.0718281466,GGA+U,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cr-Li-Mn-O-W,20.0,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cr-Li-Mn-O-W +mp-695452,K2Al11Si13(Ag3O16)3,-7.2573384153,-2.7165513239,0.128649024,0.128649024,GGA,P1,A9B11C2D48E13_aP83_1_9a_11a_2a_48a_13a:Ag-Al-K-O-Si,83.0,A9B11C2D48E13_aP83_1_9a_11a_2a_48a_13a:Ag-Al-K-O-Si +mp-1248874,K2Al11Si13(Ag3O16)3,-7.2684192954,-2.727632204,0.1175681439,0.1175681439,GGA,P1,A9B11C2D48E13_aP83_1_9a_11a_2a_48a_13a:Ag-Al-K-O-Si,83.0,A9B11C2D48E13_aP83_1_9a_11a_2a_48a_13a:Ag-Al-K-O-Si +mp-686585,K6Al11Si13Ag5O48,-7.295800607,-2.8380090364,0.1708786702,0.1708786702,GGA,Pm,A5B11C6D48E13_mP83_6_a2c_5a3c_3c_8a4b18c_3a5c:Ag-Al-K-O-Si,83.0,"Invalid WP multiplicities - A5B11C6D48E13_mP83_6_a2c_5a4c_4c_8a4b35c_3a9c:Ag-Al-K-O-Si, expected K8Al13Si21Ag5O82 to be K6Al11Si13Ag5O48" +mp-1248154,K6Al11Si13Ag5O48,-7.3020170141,-2.8442254435,0.1646622631,0.1646622631,GGA,Pm,A5B11C6D48E13_mP83_6_a2c_5a3c_3c_8a4b18c_3a5c:Ag-Al-K-O-Si,83.0,"Invalid WP multiplicities - A5B11C6D48E13_mP83_6_a2c_5a4c_4c_8a4b35c_3a9c:Ag-Al-K-O-Si, expected K8Al13Si21Ag5O82 to be K6Al11Si13Ag5O48" +mp-557793,Rb4LiZr3H2F19,-6.0356555841,-3.4640102904,0.0,-0.0129035556,GGA,P2_1/c,A19B2CD4E3_mP116_14_19e_2e_e_4e_3e:F-H-Li-Rb-Zr,116.0,"Invalid WP multiplicities - A19B2CD4E3_mP116_14_73e_4e_e_11e_10e:F-H-Li-Rb-Zr, expected Rb11LiZr10H4F73 to be Rb4LiZr3H2F19" +mp-632672,LiHF2,-4.4593900525,-2.1782383408,0.3623535475,0.2675644025,GGA,C2/m,A2BC_mC8_12_i_a_c:F-H-Li,4.0,A2BC_mC8_12_i_a_d:F-H-Li +mp-1180580,LiHF2,-4.800186575,-2.5190348633,0.021557025,-0.07323212,GGA,C2/m,A2BC_mC8_12_i_a_c:F-H-Li,4.0,A2BC_mC8_12_i_a_c:F-H-Li +mp-24199,LiHF2,-4.8217436,-2.5405918883,0.0,-0.094789145,GGA,R-3m,A2BC_hR12_166_c_a_b:F-H-Li,4.0,A2BC_hR12_166_c_a_b:F-H-Li +mp-1203875,Zn2Te15(H3N)8,-4.4854504411,-0.4489920717,0.0,-0.1171051653,GGA,P2_1/c,A24B8C15D2_mP98_14_12e_4e_a7e_e:H-N-Te-Zn,98.0,A24B8C15D2_mP98_14_12e_4e_a7e_e:H-N-Te-Zn +mp-1203210,ZnTeH12Se3N4,-4.7220755799,-0.4863862382,0.0,-0.0044146041,GGA,Pca2_1,A12B4C3DE_oP84_29_12a_4a_3a_a_a:H-N-Se-Te-Zn,84.0,A12B4C3DE_oP84_29_12a_4a_3a_a_a:H-N-Se-Te-Zn +mp-1196495,ZnTe(H2N)4,-4.8963852843,-0.2613254583,0.1584551245,0.1584551245,GGA,P2_1,A8B4CD_mP56_4_16a_8a_2a_2a:H-N-Te-Zn,56.0,A8B4CD_mP56_4_16a_8a_2a_2a:H-N-Te-Zn +mp-1216432,ZnTe(H2N)4,-4.8893382164,-0.2542783905,0.1655021924,0.1655021924,GGA,Pc,A8B4CD_mP56_7_16a_8a_2a_2a:H-N-Te-Zn,56.0,A8B4CD_mP56_7_16a_8a_2a_2a:H-N-Te-Zn +mp-1238362,ZnTe(H2N)4,-4.7256529791,-0.0905931532,0.3291874297,0.3291874297,GGA,Pc,A8B4CD_mP56_7_16a_8a_2a_2a:H-N-Te-Zn,56.0,A8B4CD_mP56_7_16a_8a_2a_2a:H-N-Te-Zn +mp-1210299,Rb2Be2Cu(O3F4)2,-4.6156354334,-1.5361057201,0.5307218856,0.5307218856,GGA,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cu-F-O-Rb,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cu-F-O-Rb +mp-720868,Ca2CdH24(ClO2)6,-4.9612531856,-1.4765643168,0.0226141233,0.0226141233,GGA,P2_1/c,A2BC6D24E12_mP90_14_e_a_3e_12e_6e:Ca-Cd-Cl-H-O,90.0,A2BC6D24E12_mP90_14_e_a_3e_12e_6e:Ca-Cd-Cl-H-O +mp-1193522,CaCd2(ClO)6,-3.8272531067,-0.8524043315000001,0.46460578,0.46460578,GGA,P-1,AB2C6D6_aP30_2_i_2i_6i_6i:Ca-Cd-Cl-O,30.0,AB2C6D6_aP30_2_i_2i_6i_6i:Ca-Cd-Cl-O +mp-1182722,Ca2Cd3(Cl5O9)2,-4.0384316394,-0.5746245957,0.5130404836,0.5130404836,GGA,P-1,A2B3C10D18_aP33_2_i_ai_5i_9i:Ca-Cd-Cl-O,33.0,A2B3C10D18_aP33_2_i_ai_5i_9i:Ca-Cd-Cl-O +mp-1197512,Ca2Cd3(Cl5O9)2,-4.0319930052,-0.5681859614,0.5194791178,0.5194791178,GGA,P-1,A2B3C10D18_aP33_2_i_ai_5i_9i:Ca-Cd-Cl-O,33.0,A2B3C10D18_aP33_2_i_ai_5i_9i:Ca-Cd-Cl-O +mp-1229229,Ba4U8As2O33,-9.1332411837,-3.3765147131,0.0,-0.0041989895,GGA,Pmn2_1,A2B4C33D8_oP94_31_2a_2ab_7a13b_2a3b:As-Ba-O-U,94.0,"Invalid WP multiplicities - A2B4C33D8_oP94_31_3a_3ab_10a37b_2a3b:As-Ba-O-U, expected Ba5U8(AsO28)3 to be Ba4U8As2O33" +mp-1202924,BaU2(AsO11)2,-6.6418598074,-1.3586307919,0.4426872079,0.4426872079,GGA,P2/c,A2BC22D2_mP54_13_g_e_11g_g:As-Ba-O-U,54.0,A2BC22D2_mP54_13_g_e_11g_g:As-Ba-O-U +mp-1199328,Ba3U2As4O19,-7.7460330595,-2.7116293461,0.0166549425,0.0166549425,GGA,C2/c,A4B3C19D2_mC112_15_2f_ef_e9f_f:As-Ba-O-U,56.0,A4B3C19D2_mC112_15_2f_ef_e9f_f:As-Ba-O-U +mp-557448,Ba2CaUO6,-8.23270869,-3.5511994862,0.0,-0.1236397722,GGA,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:Ba-Ca-O-U,20.0,"Invalid WP multiplicities - A2BC6D_mP20_14_e_a_9e_d:Ba-Ca-O-U, expected Ba2CaUO18 to be Ba2CaUO6" +mp-1196334,Ba2U(AsO5)2,-7.7415594689,-2.8139272148,0.0,-0.0102434031,GGA,P2_1/c,A2B2C10D_mP120_14_4e_4e_20e_2e:As-Ba-O-U,120.0,A2B2C10D_mP120_14_4e_4e_20e_2e:As-Ba-O-U +mp-24044,CaH12(BrO3)2,-5.0370124633,-1.4415600182,0.0085358721,0.0085358721,GGA,P321,A2BC12D6_hP21_150_d_a_2g_ef:Br-Ca-H-O,21.0,A2BC12D6_hP21_150_d_a_2g_ef:Br-Ca-H-O +mp-24422,CaHBr,-3.9181599017,-1.6010418167,0.0,-0.03485884,GGA,P4/nmm,ABC_tP6_129_c_c_a:Br-Ca-H,6.0,ABC_tP6_129_c_c_a:Br-Ca-H +mp-1182668,CaZnH10Br4O5,-4.4858749402,-1.2412006157,0.2148311017,0.2148311017,GGA,P-1,A4BC10D5E_aP42_2_4i_i_10i_5i_i:Br-Ca-H-O-Zn,42.0,A4BC10D5E_aP42_2_4i_i_10i_5i_i:Br-Ca-H-O-Zn +mp-643060,ZnH4(BrO)2,-4.3508195037,-1.2585881845,0.0373160989,0.0373160989,GGA,Immm,A2B4C2D_oI54_71_gm_mo_el_bf:Br-H-O-Zn,27.0,A2B4C2D_oI54_71_gm_mo_el_bf:Br-H-O-Zn +mp-1214091,Ca2HBr2,-2.83508638,-0.733089887,0.965039336,0.965039336,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Br-Ca-H,5.0,A2B2C_tP5_123_g_g_a:Br-Ca-H +mp-1194974,CaH18Br2O9,-5.0776999206,-1.3876691289,0.0120142005,0.0120142005,GGA,P2_1/c,A2BC18D9_mP120_14_2e_e_18e_9e:Br-Ca-H-O,120.0,A2BC18D9_mP120_14_2e_e_18e_9e:Br-Ca-H-O +mp-745067,CaH8(BrO6)2,-5.0108364483,-1.0276308207,0.038267227,-0.004389077,GGA,P-1,A2BC8D12_aP46_2_2i_i_8i_12i:Br-Ca-H-O,46.0,A2BC8D12_aP46_2_2i_i_8i_12i:Br-Ca-H-O +mp-1182712,CaH8(BrO6)2,-5.0491036752,-1.0658980476,0.0,-0.0426563039,GGA,P-1,A2BC8D12_aP46_2_2i_i_8i_12i:Br-Ca-H-O,46.0,A2BC8D12_aP46_2_2i_i_8i_12i:Br-Ca-H-O +mp-1018656,Ca2H3Br,-3.7430207333,-1.1192863625,0.0182439675,0.0182439675,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Br-Ca-H,6.0,AB2C3_hP6_164_a_d_bd:Br-Ca-H +mp-722941,CaZn2H12(BrO)6,-4.5336308843,-1.4137752588,0.0082115025,0.0082115025,GGA,C2/m,A6BC12D6E2_mC108_12_2i2j_i_6j_2i2j_2i:Br-Ca-H-O-Zn,54.0,A6BC12D6E2_mC108_12_2i2j_i_6j_2i2j_2i:Br-Ca-H-O-Zn +mp-1214462,CaZn2(BrO)6,-3.3782903967,-0.4767311068,0.6221187454,0.6221187454,GGA,C2/m,A6BC6D2_mC60_12_2i2j_i_2i2j_2i:Br-Ca-O-Zn,30.0,A6BC6D2_mC60_12_2i2j_i_2i2j_2i:Br-Ca-O-Zn +mp-1236921,CaZn2(BrO)6,-3.385951007,-0.4843917172,0.614458135,0.614458135,GGA,C2/m,A6BC6D2_mC60_12_2i2j_i_2i2j_2i:Br-Ca-O-Zn,30.0,A6BC6D2_mC60_12_2i2j_i_2i2j_2i:Br-Ca-O-Zn +mp-1046345,Ba2YTlCr2O7,-7.7036843346,-2.5806089455,0.1303552824,0.1303552824,GGA+U,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Cr-O-Tl-Y,13.0,"Invalid WP multiplicities - A2B2C7DE_tP13_123_g_h_a2h2i_c_b:Ba-Cr-O-Tl-Y, expected Ba2YTlCr2O13 to be Ba2YTlCr2O7" +mp-555930,Pr3W(ClO2)3,-7.9207508831,-3.1110132106,0.0,-0.0287995984,GGA+U,P6_3/m,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-W,26.0,A3B6C3D_hP26_176_h_i_h_c:Cl-O-Pr-W +mp-1173612,Pr5Te7WCl3O23,-6.9522589658000005,-2.3834063864,0.0,-0.012871028,GGA+U,C2,A3B23C5D7E_mC156_5_2a2bc_23c_2a4c_7c_c:Cl-O-Pr-Te-W,78.0,"Invalid WP multiplicities - A3B23C5D7E_mC156_5_2a2bc_33c_2a6c_10c_c:Cl-O-Pr-Te-W, expected Pr7Te10W(ClO11)3 to be Pr5Te7WCl3O23" +mp-1523059,KPrNbInO6,-7.554913443,-2.7124708691,0.158818623,0.158818623,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:In-K-Nb-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:In-K-Nb-O-Pr +mp-1520623,KEuMnBiO6,-7.356772213,-1.9517684693,0.171835816,0.171835816,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Eu-K-Mn-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Eu-K-Mn-O +mp-1517791,KEuMn4O12,-7.0126420106,-1.0473238744,0.8238684349000001,0.8238684349000001,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Eu-K-Mn-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Eu-K-Mn-O, expected KEuMn4O18 to be KEuMn4O12" +mp-1516231,KZrSnSbO6,-7.132885065,-2.3852045711,0.1478197034,0.1478197034,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sn-Zr,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sn-Zr +mp-1246665,LiCr2N3,-8.36760154,-0.6635177764,0.0197936308,0.0197936308,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Cr-Li-N,12.0,A2BC3_oC24_36_b_a_ab:Cr-Li-N +mp-1245916,Li2CrN2,-6.585357368,-0.5565807573,0.225482318,0.225482318,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cr-Li-N,5.0,AB2C2_hP5_164_a_d_d:Cr-Li-N +mp-1245354,Li7CrN4,-5.4420649447,-0.7452743416000001,0.0017922634,0.0017922634,GGA,P-43n,AB7C4_cP96_218_ac_bdefi_ei:Cr-Li-N,96.0,AB7C4_cP96_218_ac_bdefi_ei:Cr-Li-N +mp-1029498,Li6CrN4,-5.7652148755,-0.8149817509,0.0,-0.0592125477,GGA,P4_2/nmc,AB6C4_tP22_137_a_df_g:Cr-Li-N,22.0,AB6C4_tP22_137_a_df_g:Cr-Li-N +mp-540847,Cs2LiCr(CN)6,-7.6980349866,-0.2765513874,0.1155663745,0.1155663745,GGA,P2_1/c,A6BC2DE6_mP32_14_3e_a_e_d_3e:C-Cr-Cs-Li-N,32.0,A6BC2DE6_mP32_14_3e_a_e_b_3e:C-Cr-Cs-Li-N +mp-570502,Cs2LiCr(CN)6,-7.6981819788,-0.2766983796,0.1154193823,0.1154193823,GGA,P4/mnc,A6BC2DE6_tP32_128_eh_a_d_b_eh:C-Cr-Cs-Li-N,32.0,"Invalid WP multiplicities - A6BC2DE6_tP32_128_3e4h_a_d_b_4e5h:C-Cr-Cs-Li-N, expected Cs2LiCr(C11N14)2 to be Cs2LiCr(CN)6" +mp-20988,Cs2LiCr(CN)6,-7.6969886781,-0.275505079,0.1166126829,0.1166126829,GGA,Fm-3m,A6BC2DE6_cF64_225_e_a_c_b_e:C-Cr-Cs-Li-N,16.0,A6BC2DE6_cF64_225_e_a_c_b_e:C-Cr-Cs-Li-N +mp-675918,Li9CrN5,-5.28353648,-0.7158146203,0.010000466,0.010000466,GGA,P-1,AB9C5_aP30_2_i_9i_5i:Cr-Li-N,30.0,"Invalid WP multiplicities - AB9C5_aP30_2_i_16i_9i:Cr-Li-N, expected Li16CrN9 to be Li9CrN5" +mp-530262,Li15Cr2N9,-5.4967567227,-0.767203174,0.0,-0.0073274592,GGA,Pna2_1,A2B15C9_oP104_33_2a_15a_9a:Cr-Li-N,104.0,"Invalid WP multiplicities - A2B15C9_oP104_33_8a_55a_34a:Cr-Li-N, expected Li55(Cr4N17)2 to be Li15Cr2N9" +mp-1029395,LiCrN2,-7.7379387988,-0.6791987521,0.0,-0.0002737438,GGA,I-42d,ABC2_tI16_122_a_b_d:Cr-Li-N,8.0,ABC2_tI16_122_a_b_d:Cr-Li-N +mp-1246424,LiCrN,-7.047565625,-0.4147438711,0.2520061691,0.2520061691,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Li-N,12.0,ABC_oP12_62_c_c_c:Cr-Li-N +mp-1247473,Li3CrN2,-5.807987585,-0.465853265,0.28121334,0.28121334,GGA,I4_1/amd,AB3C2_tI48_141_e_eg_h:Cr-Li-N,24.0,AB3C2_tI48_141_e_eg_h:Cr-Li-N +mp-1247472,Li3CrN2,-5.9494266894,-0.6072923694,0.1397742356,0.1397742356,GGA,Ia-3,AB3C2_cI96_206_c_e_ad:Cr-Li-N,48.0,AB3C2_cI96_206_c_e_ad:Cr-Li-N +mp-1212683,EuMgAg,-5.1801324625,-0.2835198447,0.0,-0.0463771903,GGA,Pnma,ABC_oP12_62_c_c_c:Ag-Eu-Mg,12.0,ABC_oP12_62_c_c_c:Ag-Eu-Mg +mp-1213000,EuAg(WO4)2,-8.7432505575,-2.1949732281,0.0069672917,0.0069672917,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Eu-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Eu-O-W +mp-1234531,Eu2MgAg2(WO4)4,-8.6163365508,-2.2659791125,0.0748066051,0.0748066051,GGA+U,P-1,A2B2CD16E4_aP25_2_i_i_a_8i_2i:Ag-Eu-Mg-O-W,25.0,A2B2CD16E4_aP25_2_i_i_a_8i_2i:Ag-Eu-Mg-O-W +mp-1234028,Eu2MgAg2(WO4)4,-8.5926598076,-2.2423023693,0.0984833483,0.0984833483,GGA+U,C2/m,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Eu-Mg-O-W,25.0,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Eu-Mg-O-W +mp-772605,NaSnAsCO7,-6.7865014268,-1.8913466973,0.026341233,0.026341233,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Na-O-Sn,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:As-C-Na-O-Sn, expected NaSnAsCO13 to be NaSnAsCO7" +mp-772495,Na2SnAsCO7,-6.5073699804,-1.9099343706,0.0734590389,0.0734590389,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Na-O-Sn,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-Na-O-Sn, expected Na2SnAsCO13 to be Na2SnAsCO7" +mp-770646,Na3SnAsCO7,-6.2849598127,-1.939440381,0.0795857384,0.0795857384,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-C-Na-O-Sn,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:As-C-Na-O-Sn, expected Na4SnAsCO13 to be Na3SnAsCO7" +mp-556062,NaNb4Tl3P2O17,-7.9890677065,-2.6655125954,0.0,-0.0126474807,GGA,Ama2,AB4C17D2E3_oC108_40_a_abc_7b5c_2b_3b:Na-Nb-O-P-Tl,54.0,"Invalid WP multiplicities - AB4C17D2E3_oC108_40_a_2a2b4c_14b18c_4b_4b:Na-Nb-O-P-Tl, expected NaNb12Tl4(P2O25)2 to be NaNb4Tl3P2O17" +mp-541436,NbTl(PO4)2,-7.8881505379,-2.6494786304,0.0020977479,0.0020977479,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Nb-O-P-Tl,48.0,AB8C2D_mP48_14_e_8e_2e_e:Nb-O-P-Tl +mp-690200,Na2Nb18Tl7(PO8)9,-8.4044407397,-2.7943633962,0.0002166428,0.0002166428,GGA,P1,A2B18C72D9E7_aP108_1_2a_18a_72a_9a_7a:Na-Nb-O-P-Tl,108.0,A2B18C72D9E7_aP108_1_2a_18a_72a_9a_7a:Na-Nb-O-P-Tl +mp-667345,NbTl2PO6,-7.4140194327,-2.4220168219,0.0,-0.0169018756,GGA,R-3,AB6CD2_hR180_148_f_3c5f_3c_2f:Nb-O-P-Tl,60.0,"Invalid WP multiplicities - AB6CD2_hR180_148_f_6c29f_6c_8f:Nb-O-P-Tl, expected NbTl8P2O31 to be NbTl2PO6" +mp-976261,NaCa2In,-2.2639903225,-0.2426381266,0.0318647804,0.0318647804,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-In-Na,4.0,A2BC_cF16_225_c_a_b:Ca-In-Na +mp-1518127,NaCaInWO6,-7.206620545,-2.3348134049,0.121534066,0.121534066,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-In-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-In-Na-O-W +mp-1027943,KMg14Zr,-1.8567701869,0.1471060804,0.1658901815,0.1658901815,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Zr, expected KMg18Zr to be KMg14Zr" +mp-1027933,KMg14Zr,-1.8861198412,0.1177564261,0.1365405271,0.1365405271,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Zr, expected KMg26Zr to be KMg14Zr" +mp-1223759,K2MgZr(MoO4)4,-8.0290752271,-2.4083086273,0.0,-0.0113796896,GGA+U,C2/m,A2BC4D16E_mC48_12_i_a_2i_4i2j_d:K-Mg-Mo-O-Zr,24.0,"Invalid WP multiplicities - A2BC4D16E_mC48_12_i_a_4i_8i8j_d:K-Mg-Mo-O-Zr, expected K2MgZr(MoO6)8 to be K2MgZr(MoO4)4" +mp-1022583,KMg6Zr,-2.217680555,0.1897919296,0.2058925877,0.2058925877,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Zr,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Zr +mp-1022584,KMg6Zr,-2.2276569013,0.1798155834,0.1959162414,0.1959162414,GGA,P-6m2,AB6C_hP8_187_a_jk_d:K-Mg-Zr,8.0,AB6C_hP8_187_a_jk_d:K-Mg-Zr +mp-560406,K8Zr(MoO4)6,-7.4704205471,-2.3107969077,0.0,-0.0137056359,GGA+U,P2_1/c,A8B6C24D_mP78_14_4e_3e_12e_a:K-Mo-O-Zr,78.0,"Invalid WP multiplicities - A8B6C24D_mP78_14_13e_8e_45e_a:K-Mo-O-Zr, expected K26Zr(Mo8O45)2 to be K8Zr(MoO4)6" +mp-1180336,Na2CoH4(SeO5)2,-5.4170562895,-1.2179519405,0.2323946959,0.2323946959,GGA+U,P-1,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Co-H-Na-O-Se,19.0,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Co-H-Na-O-Se +mp-1306808,NaCo2H3(SeO5)2,-5.9402041528,-1.3748680924,0.0013244636,-0.0036219007,GGA+U,P-1,A2B3CD10E2_aP36_2_ahi_3i_cf_10i_2i:Co-H-Na-O-Se,36.0,"Invalid WP multiplicities - A2B3CD10E2_aP36_2_ah2i_5i_cf_20i_4i:Co-H-Na-O-Se, expected NaCo3H5(SeO5)4 to be NaCo2H3(SeO5)2" +mp-690566,NaCo2H3(SeO5)2,-5.3812700611,-0.8159340008,0.5602585553,0.5553121909000001,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-Se,18.0,"Invalid WP multiplicities - A2B3CD10E2_mC36_8_b_3a_a_6a4b_2a:Co-H-Na-O-Se, expected NaCo2H3(SeO7)2 to be NaCo2H3(SeO5)2" +mp-1173735,NaCo2H3(SeO5)2,-5.9415286164,-1.376192556,0.0,-0.0049463643,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-Se,36.0,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-Se +mp-697551,NaCo2HSe2O7,-6.1007349292,-1.443001786,0.0,-0.0192045794,GGA+U,Pnma,A2BCD7E2_oP52_62_ac_c_c_3c2d_2c:Co-H-Na-O-Se,52.0,A2BCD7E2_oP52_62_ac_c_c_3c2d_2c:Co-H-Na-O-Se +mp-753044,Li4NbTe2WO12,-6.969654603,-2.1525544501,0.07394638,0.07394638,GGA+U,P1,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Nb-O-Te-W,20.0,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Nb-O-Te-W +mp-756613,LiNbTe2WO12,-7.3196875676,-1.9893796583,0.0266745939,0.0266745939,GGA+U,P1,ABC12D2E_aP17_1_a_a_12a_2a_a:Li-Nb-O-Te-W,17.0,ABC12D2E_aP17_1_a_a_12a_2a_a:Li-Nb-O-Te-W +mp-752611,LiNbTe2WO12,-7.3226087047,-1.9923007954,0.0237534568,0.0237534568,GGA+U,P1,ABC12D2E_aP17_1_a_a_12a_2a_a:Li-Nb-O-Te-W,17.0,ABC12D2E_aP17_1_a_a_12a_2a_a:Li-Nb-O-Te-W +mp-781671,Na6Ni2As(CO4)4,-6.6726186481,-1.837576411,0.0503941851,0.0503941851,GGA+U,Fd-3,AB4C6D2E16_cF232_203_a_e_f_d_eg:As-C-Na-Ni-O,58.0,"Invalid WP multiplicities - AB4C6D2E16_cF232_203_a_e_f_d_4e3g:As-C-Na-Ni-O, expected Na6Ni2As(CO13)4 to be Na6Ni2As(CO4)4" +mp-771195,Na5Ni2As(CO4)4,-6.7286368223,-1.7681475515,0.0623026646,0.0623026646,GGA+U,C2/c,AB4C5D2E16_mC112_15_e_2f_e2f_ac_8f:As-C-Na-Ni-O,56.0,"Invalid WP multiplicities - AB4C5D2E16_mC112_15_e_6f_e8f_a2c_31f:As-C-Na-Ni-O, expected Na17Ni3As(C6O31)2 to be Na5Ni2As(CO4)4" +mp-779754,Na5Ni2As(CO4)4,-6.7235238146,-1.7630345438,0.0674156723,0.0674156723,GGA+U,Fdd2,AB4C5D2E16_oF224_43_a_2b_a2b_b_8b:As-C-Na-Ni-O,56.0,"Invalid WP multiplicities - AB4C5D2E16_oF224_43_a_4b_2a7b_b_20b:As-C-Na-Ni-O, expected Na16Ni2As(CO5)8 to be Na5Ni2As(CO4)4" +mp-772551,Na2NiAsCO7,-6.5112786029,-1.7662959243,0.0166656339,0.0166656339,GGA+U,P2_1/m,ABC2DE7_mP24_11_e_e_f_e_5ef:As-C-Na-Ni-O,24.0,"Invalid WP multiplicities - ABC2DE7_mP24_11_e_e_f_e_9e2f:As-C-Na-Ni-O, expected Na2NiAsCO13 to be Na2NiAsCO7" +mp-770940,Na3NiAsCO7,-6.4088113162,-1.9270945903,0.0,-0.0233924259,GGA+U,P2_1/m,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Na-Ni-O,52.0,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Na-Ni-O +mp-551760,CoSnC4Cl3O4,-6.6623872285,-1.0189321173,0.2646569944,0.2646569944,GGA+U,R3,A4B3CD4E_hR39_146_ab_b_a_ab_a:C-Cl-Co-O-Sn,13.0,"Invalid WP multiplicities - A4B3CD4E_hR39_146_ab_b_a_a2b_a:C-Cl-Co-O-Sn, expected CoSnC4Cl3O7 to be CoSnC4Cl3O4" +mp-653922,Co2SnC8(ClO4)2,-7.3477731581,-0.9036724726,0.3457238821,0.3457238821,GGA+U,P2_1/c,A8B2C2D8E_mP84_14_8e_2e_2e_8e_e:C-Cl-Co-O-Sn,84.0,"Invalid WP multiplicities - A8B2C2D8E_mP84_14_29e_5e_8e_28e_e:C-Cl-Co-O-Sn, expected Co8SnC29Cl5O28 to be Co2SnC8(ClO4)2" +mp-694189,Co3SnC12ClO12,-7.6488718891,-0.8458611185,0.383662377,0.383662377,GGA+U,P2_1/c,A12BC3D12E_mP116_14_12e_e_3e_12e_e:C-Cl-Co-O-Sn,116.0,A12BC3D12E_mP116_14_12e_e_3e_12e_e:C-Cl-Co-O-Sn +mp-1196423,SrTi(OF3)2,-5.804017824,-2.7092941543,0.4045156233,0.4045156233,GGA,P2_1/c,A6B2CD_mP40_14_6e_2e_e_e:F-O-Sr-Ti,40.0,A6B2CD_mP40_14_6e_2e_e_e:F-O-Sr-Ti +mp-1078216,Sr2Ti2Bi2OF2,-6.2613868122,-2.3035428293,0.0,-0.002637506,GGA,I4/mmm,A2B2CD2E2_tI18_139_e_d_a_e_c:Bi-F-O-Sr-Ti,9.0,A2B2CD2E2_tI18_139_e_d_a_e_c:Bi-F-O-Sr-Ti +mp-1217030,TiBi2(O2F)2,-6.9108153889,-2.5567950493,0.0992967622,0.0992967622,GGA,I4/mmm,A2B2C4D_tI18_139_e_e_cd_a:Bi-F-O-Ti,9.0,A2B2C4D_tI18_139_e_e_cd_a:Bi-F-O-Ti +mp-775941,Cr2Ni3Sb(PO4)6,-7.5662156381,-2.2335531289,0.0927910286,0.0927910286,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Cr-Ni-O-P-Sb, expected Cr2Ni3Sb(P3O22)3 to be Cr2Ni3Sb(PO4)6" +mp-9517,SrTiN2,-8.106811265,-1.5423174350000002,0.0,-0.1545886242,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Sr-Ti,8.0,A2BC_tP8_129_ac_c_c:N-Sr-Ti +mp-1247347,Sr5(TiN3)2,-6.9373044262,-1.22519513,0.0119074458,0.0119074458,GGA,C2/c,A6B5C2_mC52_15_3f_e2f_f:N-Sr-Ti,26.0,A6B5C2_mC52_15_3f_e2f_f:N-Sr-Ti +mp-1387707,Ca(TiN)2,-7.68070311,-0.7867883573000001,0.7308149340000001,0.7308149340000001,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Ca-N-Ti,5.0,AB2C2_tP5_115_a_g_f:Ca-N-Ti +mp-1245387,Ca7TiN6,-6.2875585554,-1.1480113606,0.0277029266,0.0277029266,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Ti,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Ti +mp-1247343,Ca5(TiN3)2,-7.1656299473,-1.3319412563,0.0481556788,0.0481556788,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Ti,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Ti +mp-1247012,SrTi7N10,-9.2658847306,-1.4701687961,0.1619491329,0.1619491329,GGA,Pc,A10BC7_mP36_7_10a_a_7a:N-Sr-Ti,36.0,A10BC7_mP36_7_10a_a_7a:N-Sr-Ti +mp-1245686,Sr3TiN3,-6.4439907279,-1.0192111348,0.1478011979,0.1478011979,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:N-Sr-Ti,14.0,A3B3C_hP14_176_h_h_c:N-Sr-Ti +mp-1246699,Ca3Ti3N5,-7.8792192936,-1.3896056286,0.1299129442,0.1299129442,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ti,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ti +mp-1246478,Ca3(TiN2)2,-7.38191781,-1.2537218796,0.1819110174,0.1819110174,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ti,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ti +mp-1246652,Ca3(TiN2)2,-7.4000332297,-1.2718372994,0.1637955977,0.1637955977,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ti,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ti +mp-1233112,Sr2CaTi6N2O11,-8.7086669205,-3.0793894404,0.1701734784,0.1701734784,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1233187,Sr2CaTi6N2O11,-8.7251695286,-3.0958920486,0.1536708702,0.1536708702,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1233427,Sr2CaTi6N2O11,-8.7190790659,-3.0898015859,0.159761333,0.159761333,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1233964,Sr2CaTi6N2O11,-8.7271000255,-3.0978225454,0.1517403734,0.1517403734,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1233122,Sr2CaTi6N2O11,-8.67575787,-3.04648039,0.2030825289,0.2030825289,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1233152,Sr2CaTi6N2O11,-8.7252028682,-3.0959253882,0.1536375307,0.1536375307,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1234319,Sr2CaTi6N2O11,-8.70195024,-3.07267276,0.1768901589,0.1768901589,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Ca-N-O-Sr-Ti +mp-1245957,Ca11(TiN5)2,-5.9595711826,-0.6892437059000001,0.5391488016,0.5391488016,GGA,P4_2/mnm,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Ti,46.0,A11B10C2_tP46_136_ag2i_3fi_f:Ca-N-Ti +mp-1245904,Sr3Ti3N5,-7.7107759168,-1.3073730955,0.1592221508,0.1592221508,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Ti,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Sr-Ti +mp-1245386,Sr7TiN6,-5.9224029427,-0.9409089613,0.0106007409,0.0106007409,GGA,Pbcn,A6B7C_oP56_60_3d_c3d_c:N-Sr-Ti,56.0,A6B7C_oP56_60_3d_c3d_c:N-Sr-Ti +mp-1029799,Sr4TiN4,-6.4347232528,-1.1014515272,0.0,-0.0236640403,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Sr-Ti,18.0,A4B4C_aP18_2_4i_4i_i:N-Sr-Ti +mp-1246860,Sr3(TiN2)2,-7.1720644528,-1.1492373313,0.2217114998,0.2217114998,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Sr-Ti,18.0,A4B3C2_mC36_15_2f_ef_f:N-Sr-Ti +mp-1247349,Sr3(TiN2)2,-7.2265942847,-1.2037671632,0.1671816679,0.1671816679,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Ti,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Sr-Ti +mp-1246707,Ca3TiN3,-6.7233526643,-1.1630988883,0.140713661,0.140713661,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ca-N-Ti,14.0,A3B3C_hP14_176_h_h_c:Ca-N-Ti +mp-1029572,CaTiN2,-8.1805785625,-1.5370581258,0.0,-0.0738557256,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ca-N-Ti,64.0,AB2C_oP64_61_2c_4c_2c:Ca-N-Ti +mp-568469,Ca4TiN4,-6.7840998767,-1.3103364059,0.0,-0.0737662067,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Ti,18.0,"Invalid WP multiplicities - A4B4C_aP18_2_8i_8i_i:Ca-N-Ti, expected Ca8TiN8 to be Ca4TiN4" +mp-756444,Ca2Ti6N2O11,-8.9822188567,-3.1502799265,0.0730165177,0.0730165177,GGA,P1,A2B2C11D6_aP21_1_2a_2a_11a_6a:Ca-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti +mp-776452,Ca2Ti6N2O11,-8.9963636005,-3.1644246703,0.0588717739,0.0588717739,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti +mp-776608,Ca2Ti6N2O11,-8.9864251257,-3.1544861955,0.0688102487,0.0688102487,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti +mp-755206,Ca2Ti6N2O11,-8.982042184800001,-3.1501032546,0.0731931896,0.0731931896,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti +mp-1178511,Ca2Ti6N2O11,-8.9773987614,-3.1454598313,0.077836613,0.077836613,GGA,Cm,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti,21.0,A2B2C11D6_mC42_8_2a_2a_11a_6a:Ca-N-O-Ti +mp-776509,Sr2Ti6N2O11,-8.9750734805,-3.1732399243,0.0405593696,0.0405593696,GGA,Cm,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti,21.0,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti +mp-755491,Sr2Ti6N2O11,-8.9879887667,-3.1861552105,0.0276440835,0.0276440835,GGA,Cm,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti,21.0,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti +mp-755353,Sr2Ti6N2O11,-8.9900717624,-3.1882382062,0.0255610877,0.0255610877,GGA,Cm,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti,21.0,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti +mp-755078,Sr2Ti6N2O11,-8.9870819952,-3.185248439,0.0285508549,0.0285508549,GGA,Cm,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti,21.0,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti +mp-1101353,Sr2Ti6N2O11,-8.9586138748,-3.1567803186,0.0570189754,0.0570189754,GGA,Cm,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti,21.0,A2B11C2D6_mC42_8_2a_11a_2a_6a:N-O-Sr-Ti +mp-1044267,TiV(PO4)3,-8.20426057,-2.7584035028,0.0140289715,0.0140289715,GGA+U,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Ti-V,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Ti-V, expected TiV(PO18)3 to be TiV(PO4)3" +mp-771649,Ti2V(PO4)3,-8.5150429378,-2.9330950401,0.0,-0.0019721481,GGA+U,R-3c,A12B3C2D_hR108_167_2f_e_c_b:O-P-Ti-V,36.0,"Invalid WP multiplicities - A12B3C2D_hR108_167_13f_e_c_b:O-P-Ti-V, expected Ti2V(PO26)3 to be Ti2V(PO4)3" +mp-1220097,Rb2V3P4O17,-7.7632594421,-2.5725015778,0.0763649186,0.0763649186,GGA+U,Pna2_1,A17B4C2D3_oP104_33_17a_4a_2a_3a:O-P-Rb-V,104.0,"Invalid WP multiplicities - A17B4C2D3_oP104_33_47a_14a_2a_3a:O-P-Rb-V, expected Rb2V3P14O47 to be Rb2V3P4O17" +mp-774418,TiV3(PO4)6,-8.1398793929,-2.6590689713,0.0150378049,0.0150378049,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Ti-V,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-Ti-V, expected TiV3(PO10)6 to be TiV3(PO4)6" +mp-1199688,RbVPO6,-7.3601944876,-2.3426528302,0.0625312786,0.0625312786,GGA+U,Pbca,A6BCD_oP72_61_6c_c_c_c:O-P-Rb-V,72.0,A6BCD_oP72_61_6c_c_c_c:O-P-Rb-V +mp-19481,Rb2V(PO4)2,-7.3985679879,-2.6720226865,0.0,-0.0110306563,GGA+U,P2_12_12_1,A8B2C2D_oP52_19_8a_2a_2a_a:O-P-Rb-V,52.0,A8B2C2D_oP52_19_8a_2a_2a_a:O-P-Rb-V +mp-652776,Rb2V(PO4)2,-7.3910506837,-2.6645053822,0.0075173042,-0.003513352,GGA+U,Pnma,A8B2C2D_oP52_62_2c3d_d_2c_c:O-P-Rb-V,52.0,A8B2C2D_oP52_62_2c3d_d_2c_c:O-P-Rb-V +mp-1210240,Rb6V6P6O31,-7.6442671551,-2.6194956052,0.0,-0.0042058152,GGA+U,Pmn2_1,A31B6C6D6_oP98_31_7a12b_2a2b_2a2b_2a2b:O-P-Rb-V,98.0,A31B6C6D6_oP98_31_7a12b_2a2b_2a2b_2a2b:O-P-Rb-V +mp-850923,TiV(PO4)2,-8.4901974731,-2.8752380739000003,5.93832e-05,5.93832e-05,GGA+U,R3,A8B2CD_hR108_146_8b_2b_3a_3a:O-P-Ti-V,36.0,"Invalid WP multiplicities - A8B2CD_hR108_146_20b_2b_3a_3a:O-P-Ti-V, expected TiV(PO10)2 to be TiV(PO4)2" +mp-1203774,Rb2TiV3(PO6)3,-7.9637069014,-2.6900556905,0.0,-0.0262546679,GGA+U,P6cc,A18B3C2DE3_hP108_184_6d_d_ac_b_d:O-P-Rb-Ti-V,108.0,A18B3C2DE3_hP108_184_6d_d_ac_b_d:O-P-Rb-Ti-V +mp-1208170,TiVP,-8.5443795967,-1.0801460656,0.0,-0.1363998173,GGA,Pnma,ABC_oP12_62_c_c_c:P-Ti-V,12.0,ABC_oP12_62_c_c_c:P-Ti-V +mp-1210865,Rb2Zn(SO7)2,-5.2140107355,-0.9641500278,0.4593262066,0.4593262066,GGA,P2_1/c,A14B2C2D_mP38_14_7e_e_e_a:O-Rb-S-Zn,38.0,A14B2C2D_mP38_14_7e_e_e_a:O-Rb-S-Zn +mp-616185,Rb2ZnCl4,-3.5261303304,-2.0097077025,0.0063745188,-0.0596806418,GGA,Pna2_1,A4B2C_oP28_33_4a_2a_a:Cl-Rb-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_33_15a_4a_a:Cl-Rb-Zn, expected Rb4ZnCl15 to be Rb2ZnCl4" +mp-568350,Rb2ZnCl4,-3.5325048492,-2.0160822213,0.0,-0.0660551606,GGA,Pna2_1,A4B2C_oP84_33_12a_6a_3a:Cl-Rb-Zn,84.0,"Invalid WP multiplicities - A4B2C_oP84_33_46a_22a_8a:Cl-Rb-Zn, expected Rb11Zn4Cl23 to be Rb2ZnCl4" +mp-608314,Rb2ZnCl4,-3.52657353,-2.0101509021,0.0059313192,-0.0601238414,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-Rb-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_6c6d_5c_c:Cl-Rb-Zn, expected Rb5ZnCl18 to be Rb2ZnCl4" +mp-559540,RbZnSClO4,-5.5396316434,-2.0381292616,0.0,-0.0528850849,GGA,P2_1/c,AB4CDE_mP32_14_e_4e_e_e_e:Cl-O-Rb-S-Zn,32.0,"Invalid WP multiplicities - AB4CDE_mP32_14_e_9e_e_e_e:Cl-O-Rb-S-Zn, expected RbZnSClO9 to be RbZnSClO4" +mp-676317,Rb2ZnCl3,-3.1950897729,-1.7340194837,0.1903193166,0.1903193166,GGA,Pc,A3B2C_mP24_7_6a_4a_2a:Cl-Rb-Zn,24.0,"Invalid WP multiplicities - A3B2C_mP24_7_10a_6a_2a:Cl-Rb-Zn, expected Rb3ZnCl5 to be Rb2ZnCl3" +mp-1191341,Te2H2O3F4,-5.1275968509,-1.8950472254,0.0,-0.0048327225,GGA,Fdd2,A4B2C3D2_oF88_43_2b_b_ab_b:F-H-O-Te,22.0,A4B2C3D2_oF88_43_2b_b_ab_b:F-H-O-Te +mp-1235055,LiTe4H4(O3F4)2,-5.0598586304,-1.8848579945,0.067963578,0.067963578,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te,23.0,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te +mp-1235165,LiTe4H4(O3F4)2,-5.0601149665,-1.8851143305,0.0677072419,0.0677072419,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te,23.0,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te +mp-1235761,LiTe4H4(O3F4)2,-5.0430098309,-1.8680091949,0.0848123775,0.0848123775,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te,23.0,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Li-O-Te +mp-557991,H12Pd(N5O4)2,-5.88342779,-0.4372647806,0.3926926994,0.3926926994,GGA,P-1,A12B10C8D_aP31_2_6i_5i_4i_a:H-N-O-Pd,31.0,"Invalid WP multiplicities - A12B10C8D_aP31_2_12i_10i_7i_a:H-N-O-Pd, expected H24Pd(N10O7)2 to be H12Pd(N5O4)2" +mp-1193008,H4Pd(NO4)2,-5.9630734723,-0.963254437,0.0092049336,0.0092049336,GGA,P2_1/c,A4B2C8D_mP30_14_2e_e_4e_a:H-N-O-Pd,30.0,A4B2C8D_mP30_14_2e_e_4e_a:H-N-O-Pd +mp-1204994,H4Pd(NO4)2,-5.9613733147,-0.9615542793,0.0109050912,0.0109050912,GGA,Pbca,A4B2C8D_oP60_61_2c_c_4c_a:H-N-O-Pd,60.0,A4B2C8D_oP60_61_2c_c_4c_a:H-N-O-Pd +mp-1104061,H6Pd(NO)4,-5.8365553153,-0.5919571403,0.2826702788,0.2826702788,GGA,P-1,A6B4C4D_aP15_2_3i_2i_2i_a:H-N-O-Pd,15.0,A6B4C4D_aP15_2_3i_2i_2i_a:H-N-O-Pd +mp-1197937,H24Rh2(N4O5)3,-5.6019970798,-0.5002553705,0.4741419482,0.4741419482,GGA,Pna2_1,A24B12C15D2_oP212_33_24a_12a_15a_2a:H-N-O-Rh,212.0,A24B12C15D2_oP212_33_24a_12a_15a_2a:H-N-O-Rh +mp-1194569,KY(SeO3)2,-6.6480222365,-2.2231397082,0.0,-0.1304689371,GGA,Pnma,AB6C2D_oP40_62_c_2c2d_2c_c:K-O-Se-Y,40.0,AB6C2D_oP40_62_c_2c2d_2c_c:K-O-Se-Y +mp-1517045,KCaYSeO6,-6.667595147,-2.3917437785,0.1994076072,0.1994076072,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Se-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Se-Y +mp-6592,K2Pt(NO2)4,-6.4925628788,-1.0784681719,0.0586572202,0.0586572202,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_ab:K-N-O-Pt,60.0,"Invalid WP multiplicities - A2B4C8D_mP60_14_2e_5e_10e_ab:K-N-O-Pt, expected K2Pt(NO2)5 to be K2Pt(NO2)4" +mp-669498,K2Pt(NO2)4,-6.4464950037,-1.0324002967,0.1047250953,0.1047250953,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_ab:K-N-O-Pt,60.0,"Invalid WP multiplicities - A2B4C8D_mP60_14_7e_12e_31e_2ab:K-N-O-Pt, expected K14Pt3(N12O31)2 to be K2Pt(NO2)4" +mp-1181207,K2Pt(NO2)4,-6.4616019333,-1.0475072264,0.0896181657,0.0896181657,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_ab:K-N-O-Pt,60.0,"Invalid WP multiplicities - A2B4C8D_mP60_14_7e_12e_31e_2ab:K-N-O-Pt, expected K14Pt3(N12O31)2 to be K2Pt(NO2)4" +mp-1211559,KPtN2O5,-6.3557205964,-0.9570577438,0.1451219694,0.1451219694,GGA,P2_1/c,AB2C5D_mP36_14_e_2e_5e_e:K-N-O-Pt,36.0,AB2C5D_mP36_14_e_2e_5e_e:K-N-O-Pt +mp-1189013,K2Pt(N2O5)2,-6.0537124688,-0.6946067026,0.42999718,0.42999718,GGA,P-1,A2B4C10D_aP17_2_i_2i_5i_a:K-N-O-Pt,17.0,A2B4C10D_aP17_2_i_2i_5i_a:K-N-O-Pt +mp-1413923,K2Pt(N2O5)2,-3.70060838,1.6584973863,2.7831012688000003,2.7831012688000003,GGA,P-1,A2B4C10D_aP17_2_i_2i_5i_a:K-N-O-Pt,17.0,A2B4C10D_aP17_2_i_2i_5i_a:K-N-O-Pt +mp-1029347,KPtN,-5.3814457,-0.2087699693,0.0,-0.0230632784,GGA,P4_2/mmc,ABC_tP6_131_e_c_b:K-N-Pt,6.0,ABC_tP6_131_e_c_b:K-N-Pt +mp-557863,K2Ag4Pt3(NO2)12,-6.3326389879,-0.7654636537,0.0419103403,0.0419103403,GGA,P2_1/c,A4B2C12D24E3_mP90_14_2e_e_6e_12e_ae:Ag-K-N-O-Pt,90.0,"Invalid WP multiplicities - A4B2C12D24E3_mP90_14_5e_e_21e_44e_2a3e:Ag-K-N-O-Pt, expected KAg5Pt4N21O44 to be K2Ag4Pt3(NO2)12" +mp-643123,K5Ag(NO)2,-3.6940788495,-0.1989870484,0.6629026560000001,0.6629026560000001,GGA,P2_1,AB5C2D2_mP20_4_a_5a_2a_2a:Ag-K-N-O,20.0,"Invalid WP multiplicities - AB5C2D2_mP20_4_a_7a_3a_3a:Ag-K-N-O, expected K7Ag(NO)3 to be K5Ag(NO)2" +mp-1197690,K5Pt4(N3O8)3,-5.981642989,-0.6581784317,0.4810221802,0.4810221802,GGA,P-1,A5B9C24D4_aP84_2_5i_9i_24i_4i:K-N-O-Pt,84.0,A5B9C24D4_aP84_2_5i_9i_24i_4i:K-N-O-Pt +mp-997006,AgPtO2,-5.3750304387,-0.6757637523000001,0.0198247371,0.0198247371,GGA,P2/m,AB2C_mP8_10_ac_mn_dh:Ag-O-Pt,8.0,"Invalid WP multiplicities - AB2C_mP8_10_ac_2mn_dh:Ag-O-Pt, expected AgPtO3 to be AgPtO2" +mp-997007,AgPtO2,-5.3540350762,-0.6547683898000001,0.0408200996,0.0408200996,GGA,C2/m,AB2C_mC16_12_i_2i_i:Ag-O-Pt,8.0,"Invalid WP multiplicities - AB2C_mC16_12_i_3i_i:Ag-O-Pt, expected AgPtO3 to be AgPtO2" +mp-18429,KAg(NO3)2,-6.0869161895,-1.0573084827,0.0,-0.0016522263,GGA,P2_1/c,ABC2D6_mP40_14_e_e_2e_6e:Ag-K-N-O,40.0,ABC2D6_mP40_14_e_e_2e_6e:Ag-K-N-O +mp-1196302,MnTe4(H3N)6,-4.9701172389,-0.3900042311,0.0016482119,0.0016482119,GGA,P2_1/c,A18BC6D4_mP116_14_18e_e_6e_4e:H-Mn-N-Te,116.0,A18BC6D4_mP116_14_18e_e_6e_4e:H-Mn-N-Te +mp-1200286,MnTeH18(SN2)3,-5.1390948496,-0.4562428101,0.0037927319,0.0037927319,GGA,P2_1/c,A18BC6D3E_mP116_14_18e_e_6e_3e_e:H-Mn-N-S-Te,116.0,A18BC6D3E_mP116_14_18e_e_6e_3e_e:H-Mn-N-S-Te +mp-1247496,Mn4Te3N2,-7.2969786369,-0.3246487816,0.1043034779,0.1043034779,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Mn-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Mn-N-Te +mp-1245991,MnTeN2,-7.1299528344,0.1146249245,0.3858645631,0.3858645631,GGA,Pnma,AB2C_oP16_62_c_ac_c:Mn-N-Te,16.0,AB2C_oP16_62_c_ac_c:Mn-N-Te +mp-1226809,CdHOF,-4.5952614725,-1.8018156016,0.0,-0.0357935268,GGA,Pmn2_1,ABCD_oP8_31_a_a_a_a:Cd-F-H-O,8.0,ABCD_oP8_31_a_a_a_a:Cd-F-H-O +mp-561283,CdGaH14O7F5,-5.064931373,-1.6494540077000002,0.0,-0.0036305592,GGA,P-1,AB5CD14E7_aP56_2_i_5i_i_14i_7i:Cd-F-Ga-H-O,56.0,"Invalid WP multiplicities - AB5CD14E7_aP56_2_i_9i_i_28i_12i:Cd-F-Ga-H-O, expected CdGaH28(O4F3)3 to be CdGaH14O7F5" +mp-754034,Li2TlPCO7,-6.7471026704,-2.1263295156,0.0372623968,0.0372623968,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Tl,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Tl, expected Li2TlPCO13 to be Li2TlPCO7" +mp-771334,Li3TlPCO7,-6.5821549658,-2.1699856793,0.1101647342,0.1101647342,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-Tl,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Li-O-P-Tl, expected Li5TlPCO13 to be Li3TlPCO7" +mp-24130,CaP2(HO)4,-6.0156999823,-1.8166214442,0.0,-0.0339934755,GGA,C2/c,AB4C4D2_mC44_15_e_2f_2f_f:Ca-H-O-P,22.0,"Invalid WP multiplicities - AB4C4D2_mC44_15_e_2f_3f_f:Ca-H-O-P, expected CaP2(H2O3)2 to be CaP2(HO)4" +mp-706278,CaP2(H2O3)3,-6.4655329403,-2.1483796311,0.0012995181,0.0012995181,GGA,P-1,AB6C9D2_aP36_2_i_6i_9i_2i:Ca-H-O-P,36.0,AB6C9D2_aP36_2_i_6i_9i_2i:Ca-H-O-P +mp-1188121,CsP(HO2)2,-6.2961299394,-2.1860159627,0.0001328072,-0.0173155911,GGA,P2_1,AB2C4D_mP16_4_a_2a_4a_a:Cs-H-O-P,16.0,AB2C4D_mP16_4_a_2a_4a_a:Cs-H-O-P +mp-1188838,CsP(HO2)2,-6.2950745469000005,-2.1849605702,0.0011881997,-0.0162601986,GGA,P2_1/m,AB2C4D_mP16_11_e_ae_2ef_e:Cs-H-O-P,16.0,AB2C4D_mP16_11_e_ae_2ef_e:Cs-H-O-P +mp-1197651,CsP(HO2)2,-6.2962627466,-2.1861487698,0.0,-0.0174483983,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cs-H-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_4e_8e_e:Cs-H-O-P, expected CsP(HO2)4 to be CsP(HO2)2" +mp-24390,CaPHO4,-7.1724701332,-2.8012725223,0.0,-0.0007894043,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ca-H-O-P,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Ca-H-O-P +mp-1194747,CaPHO4,-7.1537805886,-2.7825829776,0.0186895446,0.0179001404,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Ca-H-O-P,56.0,ABC4D_mP56_14_2e_2e_8e_2e:Ca-H-O-P +mp-1214061,CaP2HO8,-6.4078445371,-1.7579744847,0.6485494933,0.6485494933,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Ca-H-O-P,24.0,ABC8D2_aP24_2_i_i_8i_2i:Ca-H-O-P +mp-1195977,CsCaP3(HO5)2,-7.0351731946,-2.6002761961000003,0.0245612648,0.0245612648,GGA,P2_1/c,ABC2D10E3_mP68_14_e_e_2e_10e_3e:Ca-Cs-H-O-P,68.0,ABC2D10E3_mP68_14_e_e_2e_10e_3e:Ca-Cs-H-O-P +mp-554174,Ca2P2H8O11,-6.381567226,-2.1905590105,0.0162367067,0.0162367067,GGA,P2_1/c,A2B8C11D2_mP92_14_2e_8e_11e_2e:Ca-H-O-P,92.0,"Invalid WP multiplicities - A2B8C11D2_mP92_14_4e_27e_43e_4e:Ca-H-O-P, expected Ca4P4H27O43 to be Ca2P2H8O11" +mp-697133,Cs2CaH4,-2.9008807686,-0.4198366537,0.0,-0.0037703857,GGA,I4/mmm,AB2C4_tI14_139_a_e_ce:Ca-Cs-H,7.0,AB2C4_tI14_139_a_e_ce:Ca-Cs-H +mp-1203821,Cs2PH5O6,-5.7542961309,-1.9080197207,0.0,-0.0268144955,GGA,P2_1/c,A2B5C6D_mP56_14_2e_5e_6e_e:Cs-H-O-P,56.0,A2B5C6D_mP56_14_2e_5e_6e_e:Cs-H-O-P +mp-706426,Ca2P2H4O9,-6.8142812818,-2.524345555,0.0088295846,0.0088295846,GGA,P-1,A2B4C9D2_aP34_2_2i_4i_9i_2i:Ca-H-O-P,34.0,A2B4C9D2_aP34_2_2i_4i_9i_2i:Ca-H-O-P +mp-721624,Ca5P3HO13,-7.4950036466,-3.2237497279,8.1511e-06,-0.0288601669,GGA,P2_1/c,A5BC13D3_mP88_14_5e_e_13e_3e:Ca-H-O-P,88.0,A5BC13D3_mP88_14_5e_e_13e_3e:Ca-H-O-P +mp-41472,Ca5P3HO13,-7.4950117977,-3.223757879,0.0,-0.028868318,GGA,P6_3,A5BC13D3_hP44_173_2bc_a_a4c_c:Ca-H-O-P,44.0,"Invalid WP multiplicities - A5BC13D3_hP44_173_4b3c_a_a22c_c:Ca-H-O-P, expected Ca13P3HO67 to be Ca5P3HO13" +mp-643074,Cs2P2H2O7,-6.5294405162,-2.373311068,0.0018938977,0.0018938977,GGA,C2/c,A2B2C7D2_mC52_15_f_f_e3f_f:Cs-H-O-P,26.0,A2B2C7D2_mC52_15_f_f_e3f_f:Cs-H-O-P +mp-1229154,Ca8P6H12O29,-6.8536864664,-2.622935571,0.015865239,0.015865239,GGA,P-1,A8B12C29D6_aP110_2_8i_12i_29i_6i:Ca-H-O-P,110.0,A8B12C29D6_aP110_2_8i_12i_29i_6i:Ca-H-O-P +mp-643898,CaP2H2O7,-7.1038648771,-2.5834917136,0.0,-0.0193823051,GGA,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Ca-H-O-P,24.0,AB2C7D2_mC48_15_c_f_e3f_f:Ca-H-O-P +mp-1192733,CsP(HO)2,-5.4522362204,-1.6209804885,0.0,-0.0569228463,GGA,Pnma,AB2C2D_oP24_62_c_2c_d_c:Cs-H-O-P,24.0,AB2C2D_oP24_62_c_2c_d_c:Cs-H-O-P +mp-1198194,CsP2H5O8,-6.2875988069,-2.0214021006,0.0339082369,0.0121010052,GGA,P-1,AB5C8D2_aP32_2_i_5i_8i_2i:Cs-H-O-P,32.0,AB5C8D2_aP32_2_i_5i_8i_2i:Cs-H-O-P +mp-1195974,CsP2H5O8,-6.3215070437,-2.0553103375,0.0,-0.0218072317,GGA,P2_1/c,AB5C8D2_mP64_14_e_5e_8e_2e:Cs-H-O-P,64.0,AB5C8D2_mP64_14_e_5e_8e_2e:Cs-H-O-P +mp-1198944,CsP2H5O8,-6.319517973,-2.0533212667,0.0019890708,-0.0198181609,GGA,P2_1/c,AB5C8D2_mP64_14_e_5e_8e_2e:Cs-H-O-P,64.0,AB5C8D2_mP64_14_e_5e_8e_2e:Cs-H-O-P +mp-644443,CaP(HO3)2,-6.260518813,-1.8720701386,0.2811287301,0.2811287301,GGA,Cc,AB2C6D_mC40_9_a_2a_6a_a:Ca-H-O-P,20.0,AB2C6D_mC40_9_a_2a_6a_a:Ca-H-O-P +mp-644203,CsCaH3,-3.09976169,-0.4839256126,0.012165698,0.012165698,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ca-Cs-H,5.0,ABC3_cP5_221_b_a_c:Ca-Cs-H +mp-697657,CaP4(HO6)2,-7.30021255,-2.573658522,0.0,-0.0090242015,GGA,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Ca-H-O-P,38.0,AB2C12D4_mP38_14_a_e_6e_2e:Ca-H-O-P +mp-1213859,Cs3P3HO9,-6.5325609038,-2.3551209611,0.1620636802,0.1620636802,GGA,P-1,A3BC9D3_aP32_2_3i_i_9i_3i:Cs-H-O-P,32.0,A3BC9D3_aP32_2_3i_i_9i_3i:Cs-H-O-P +mp-1105373,Ca5P3H,-4.387082665,-1.09145678,0.0,-0.2521351333,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ca-H-P,18.0,A5BC3_hP18_193_dg_b_g:Ca-H-P +mp-24389,CaPH5O6,-6.2429399858,-2.0842734566,0.0158212956,0.0158212956,GGA,Cc,AB5C6D_mC52_9_a_5a_6a_a:Ca-H-O-P,26.0,"Invalid WP multiplicities - AB5C6D_mC52_9_a_5a_8a_a:Ca-H-O-P, expected CaPH5O8 to be CaPH5O6" +mp-728349,CaP2(HO2)4,-5.2896141117,-0.8911728608,1.4320313142,1.4320313142,GGA,P-1,AB4C8D2_aP30_2_i_bd3i_8i_2i:Ca-H-O-P,30.0,AB4C8D2_aP30_2_i_bd3i_8i_2i:Ca-H-O-P +mp-706585,CaP2(HO2)4,-6.6411113997,-2.2426701488,0.0805340262,0.0805340262,GGA,P-1,AB4C8D2_aP30_2_i_ae3i_8i_2i:Ca-H-O-P,30.0,"Invalid WP multiplicities - AB4C8D2_aP30_2_i_ae6i_15i_3i:Ca-H-O-P, expected CaP3H7O15 to be CaP2(HO2)4" +mp-24361,CaP2(HO2)4,-6.715242601,-2.3168013501,0.0064028248,0.0064028248,GGA,P-1,AB4C8D2_aP30_2_i_be3i_8i_2i:Ca-H-O-P,30.0,"Invalid WP multiplicities - AB4C8D2_aP30_2_i_be3i_13i_2i:Ca-H-O-P, expected CaP2H4O13 to be CaP2(HO2)4" +mp-24452,CaP2H6O7,-6.1818386231,-1.9433772392,0.010473468,0.010473468,GGA,P-1,AB6C7D2_aP32_2_i_6i_7i_2i:Ca-H-O-P,32.0,"Invalid WP multiplicities - AB6C7D2_aP32_2_i_6i_9i_2i:Ca-H-O-P, expected CaP2(H2O3)3 to be CaP2H6O7" +mp-1191996,CsP2(HO2)3,-6.3600230154,-2.0616631998,0.0288675501,0.0288675501,GGA,P-1,AB3C6D2_aP24_2_i_3i_6i_2i:Cs-H-O-P,24.0,AB3C6D2_aP24_2_i_3i_6i_2i:Cs-H-O-P +mp-1093676,Ca2PH,-2.7760550175,0.4282520604,1.4153493563,1.4153493563,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-H-P,4.0,A2BC_oI8_71_e_a_b:Ca-H-P +mp-938968,CaP(H2O3)2,-4.8600654542,-0.6375705513000001,1.4772753443,1.4772753443,GGA,P1,AB4C6D_aP24_1_2a_8a_12a_2a:Ca-H-O-P,24.0,AB4C6D_aP24_1_2a_8a_12a_2a:Ca-H-O-P +mp-632758,CaP(H2O3)2,-6.2653126454,-2.0428177426,0.0720281531,0.0720281531,GGA,C2/c,AB4C6D_mC48_15_e_2f_3f_e:Ca-H-O-P,24.0,AB4C6D_mC48_15_e_2f_3f_e:Ca-H-O-P +mp-24170,CaPH3O4,-6.3278594825,-2.1740999973,0.0122942693,0.0122942693,GGA,P2_1/c,AB3C4D_mP36_14_e_3e_4e_e:Ca-H-O-P,36.0,"Invalid WP multiplicities - AB3C4D_mP36_14_e_3e_7e_e:Ca-H-O-P, expected CaPH3O7 to be CaPH3O4" +mp-1516809,KDySnWO6,-7.722736979,-2.486234965,0.1279980626,0.1279980626,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Sn-W +mp-560777,K3Hg3S2Cl5O6,-4.3487768667,-1.64151617,0.0457493419,0.0457493419,GGA,Pnma,A5B3C3D6E2_oP76_62_5c_3c_3c_2c2d_2c:Cl-Hg-K-O-S,76.0,"Invalid WP multiplicities - A5B3C3D6E2_oP76_62_19c_7c_9c_7c12d_6c:Cl-Hg-K-O-S, expected K9Hg7S6Cl19O31 to be K3Hg3S2Cl5O6" +mp-559765,KHg2S(ClO)3,-4.0993903775,-1.4754018117,0.0514514348,0.0514514348,GGA,Cmc2_1,A3B2CD3E_oC40_36_3a_2a_a_ab_a:Cl-Hg-K-O-S,20.0,"Invalid WP multiplicities - A3B2CD3E_oC40_36_5a_4a_a_2a3b_a:Cl-Hg-K-O-S, expected KHg4SCl5O8 to be KHg2S(ClO)3" +mp-1189153,K2HgS(ClO2)2,-4.454702232,-1.4402266029000002,0.457768733,0.457768733,GGA,P-1,A2BC2D4E_aP20_2_2i_i_2i_4i_i:Cl-Hg-K-O-S,20.0,A2BC2D4E_aP20_2_2i_i_2i_4i_i:Cl-Hg-K-O-S +mp-559061,K2Hg2SCl4O3,-4.0523311337,-1.6190960284,0.0325023718,0.0325023718,GGA,P2_1/m,A4B2C2D3E_mP24_11_4e_2e_2e_ef_e:Cl-Hg-K-O-S,24.0,"Invalid WP multiplicities - A4B2C2D3E_mP24_11_7e_3e_4e_2e2f_e:Cl-Hg-K-O-S, expected K4Hg3SCl7O6 to be K2Hg2SCl4O3" +mp-558792,K2Hg3S3O10,-5.2066999749,-1.5951402136,0.1040738915,0.1040738915,GGA,Pnma,A3B2C10D3_oP72_62_cd_d_2c4d_cd:Hg-K-O-S,72.0,"Invalid WP multiplicities - A3B2C10D3_oP72_62_4c4d_d_8c27d_3c2d:Hg-K-O-S, expected K2Hg12S7O62 to be K2Hg3S3O10" +mp-1212978,K7Nb14(P3O20)3,-8.4216865286,-2.9248853238,0.0,-0.021155891,GGA,Pmma,A7B14C60D9_oP180_51_aefij_2ik2l_cf2i2jk12l_e2l:K-Nb-O-P,180.0,A7B14C60D9_oP180_51_aefij_2ik2l_cf2i2jk12l_e2l:K-Nb-O-P +mp-773047,KNb2PO8,-8.4327981717,-2.9078130697,0.0099266583,0.0099266583,GGA,R3,AB2C8D_hR108_146_b_2b_8b_b:K-Nb-O-P,36.0,"Invalid WP multiplicities - AB2C8D_hR108_146_b_4b_24b_b:K-Nb-O-P, expected KNb4PO24 to be KNb2PO8" +mp-1223540,KNb3(PO5)3,-8.4320745925,-2.8932313081,0.0,-0.0018667236,GGA,P2_1/c,AB3C15D3_mP88_14_e_3e_ac14e_3e:K-Nb-O-P,88.0,"Invalid WP multiplicities - AB3C15D3_mP88_14_e_3e_ac23e_3e:K-Nb-O-P, expected KNb3(PO8)3 to be KNb3(PO5)3" +mp-686747,K2Nb6Ag(PO8)3,-8.4042809847,-2.8314581867,0.0,-0.0018573882,GGA,C2,AB2C6D24E3_mC72_5_a_c_3c_ab11c_ac:Ag-K-Nb-O-P,36.0,"Invalid WP multiplicities - AB2C6D24E3_mC72_5_a_c_5c_ab21c_ac:Ag-K-Nb-O-P, expected K2Nb10AgP3O44 to be K2Nb6Ag(PO8)3" +mp-1181229,K3Ag2(PO4)5,-6.1621253412,-1.662238821,0.3427213244,0.3427213244,GGA,P-1,A2B3C20D5_aP60_2_2i_3i_20i_5i:Ag-K-O-P,60.0,A2B3C20D5_aP60_2_2i_3i_20i_5i:Ag-K-O-P +mp-1198639,K3Ag2(PO4)5,-5.8974910042,-1.397604484,0.6073556614,0.6073556614,GGA,P-1,A2B3C20D5_aP60_2_2i_3i_20i_5i:Ag-K-O-P,60.0,A2B3C20D5_aP60_2_2i_3i_20i_5i:Ag-K-O-P +mp-1211814,KNbPO5,-7.9345172145,-2.7647109583,0.0564179871,0.0564179871,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:K-Nb-O-P,64.0,ABC5D_oP64_33_2a_2a_10a_2a:K-Nb-O-P +mp-17377,KNb(PO4)2,-7.9583178215,-2.8239995973000003,0.0068966592,0.0068966592,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:K-Nb-O-P,48.0,ABC8D2_mP48_14_e_e_8e_2e:K-Nb-O-P +mp-557874,KAg(PO3)2,-6.7796444943,-2.3346752711,0.0,-0.008484341,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Ag-K-O-P,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_22e_3e:Ag-K-O-P, expected KAgP3O22 to be KAg(PO3)2" +mp-554572,K3NbP2O9,-7.3688104318,-2.7835234121,0.0,-0.0330575311,GGA,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_2e:K-Nb-O-P,60.0,"Invalid WP multiplicities - A3BC9D2_mP60_14_5e_e_33e_6e:K-Nb-O-P, expected K5Nb(P2O11)3 to be K3NbP2O9" +mp-768164,LiGePCO7,-7.3128787236,-2.2400842055,0.0437148626,0.0437148626,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ge-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ge-Li-O-P, expected LiGePCO13 to be LiGePCO7" +mp-721249,Li10Ge(PO6)2,-6.2511143976,-2.4951493548,0.0949391474,0.0949391474,GGA,P1,AB10C12D2_aP50_1_2a_20a_24a_4a:Ge-Li-O-P,50.0,AB10C12D2_aP50_1_2a_20a_24a_4a:Ge-Li-O-P +mp-632815,Li10Ge(PO6)2,-6.2761701342,-2.5202050914000003,0.0698834108,0.0698834108,GGA,P1,AB10C12D2_aP50_1_2a_20a_24a_4a:Ge-Li-O-P,50.0,AB10C12D2_aP50_1_2a_20a_24a_4a:Ge-Li-O-P +mp-696130,Li10Ge(PO6)2,-6.2343303316,-2.4783652888,0.1117232134,0.1117232134,GGA,P4_2mc,AB10C12D2_tP50_105_a_ab2f_3d3e_bc:Ge-Li-O-P,50.0,AB10C12D2_tP50_105_a_ab2f_3d3e_bc:Ge-Li-O-P +mp-1021510,LiGe2(PO4)3,-7.2988343894,-2.4791037988,0.0024229347,0.0024229347,GGA,R-3,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-Li-O-P,36.0,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-Li-O-P +mp-541272,LiGe2(PO4)3,-7.2995808011,-2.4798502105,0.0016765231,0.0016765231,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Ge-Li-O-P,36.0,A2BC12D3_hR108_167_c_b_2f_e:Ge-Li-O-P +mp-1199341,Sb2C3OF18,-5.3771635525,-2.239775674,0.1162575789,0.1162575789,GGA,P-1,A3B18CD2_aP48_2_3i_18i_i_2i:C-F-O-Sb,48.0,A3B18CD2_aP48_2_3i_18i_i_2i:C-F-O-Sb +mp-555952,Sb4RuC6(O3F11)2,-6.0388133088,-2.1184268984,0.0923613507,0.0923613507,GGA,P2_1/c,A6B22C6DE4_mP78_14_3e_11e_3e_a_2e:C-F-O-Ru-Sb,78.0,"Invalid WP multiplicities - A6B22C6DE4_mP78_14_12e_42e_9e_a_5e:C-F-O-Ru-Sb, expected Sb10RuC24(O3F14)6 to be Sb4RuC6(O3F11)2" +mp-542700,RuC4(O2F3)2,-6.8169058373,-1.6539262933,0.1456484961,0.1456484961,GGA,P-1,A4B6C4D_aP30_2_4i_6i_4i_i:C-F-O-Ru,30.0,A4B6C4D_aP30_2_4i_6i_4i_i:C-F-O-Ru +mp-6891,Sb2RuC6(OF2)6,-6.5506562978,-1.901683044,0.0911136816,0.0911136816,GGA,P4/mnc,A6B12C6DE2_tP54_128_eh_gi_eh_a_d:C-F-O-Ru-Sb,54.0,"Invalid WP multiplicities - A6B12C6DE2_tP54_128_e2h_4g3i_e2h_a_d:C-F-O-Ru-Sb, expected Sb2RuC10(OF4)10 to be Sb2RuC6(OF2)6" +mp-643793,Cu3H2(OF2)2,-4.8609847468,-1.531678802,0.0,-0.0050361195,GGA,P2_1/c,A3B4C2D2_mP22_14_ae_2e_e_e:Cu-F-H-O,22.0,A3B4C2D2_mP22_14_ae_2e_e_e:Cu-F-H-O +mp-703531,CuSiH8(O2F3)2,-5.325801193,-1.9297031075,0.0043045383,0.0043045383,GGA,P2_1/c,AB6C8D4E_mP40_14_a_3e_4e_2e_d:Cu-F-H-O-Si,40.0,AB6C8D4E_mP40_14_a_3e_4e_2e_d:Cu-F-H-O-Si +mp-632759,CuH4(OF)2,-4.9533236667,-1.4659407547,0.0196084106,0.0196084106,GGA,C2/m,AB2C4D2_mC18_12_a_i_j_g:Cu-F-H-O,9.0,AB2C4D2_mC18_12_a_i_j_g:Cu-F-H-O +mp-23795,CuH4(OF)2,-4.9509070233,-1.4635241114,0.0220250539,0.0220250539,GGA,C2/m,AB2C4D2_mC18_12_a_i_j_g:Cu-F-H-O,9.0,AB2C4D2_mC18_12_a_i_j_g:Cu-F-H-O +mp-1209032,SiH14(OF)6,-5.2782099122,-1.7940436629,0.0,-0.0002506598,GGA,P2_1/c,A6B14C6D_mP54_14_3e_7e_3e_a:F-H-O-Si,54.0,A6B14C6D_mP54_14_3e_7e_3e_a:F-H-O-Si +mp-707839,SiH14(O2F3)2,-4.9671061828,-1.5999417304,0.029661748,0.029661748,GGA,P2_1/c,A6B14C4D_mP50_14_3e_7e_2e_a:F-H-O-Si,50.0,A6B14C4D_mP50_14_3e_7e_2e_a:F-H-O-Si +mp-1256602,SiH14(O2F3)2,-4.969861592,-1.6026971396,0.0269063388,0.0269063388,GGA,P2_1/c,A6B14C4D_mP50_14_3e_7e_2e_a:F-H-O-Si,50.0,A6B14C4D_mP50_14_3e_7e_2e_a:F-H-O-Si +mp-721943,CuSiH12(OF)6,-5.2950662543,-1.7802107423,0.0073467618,0.0073467618,GGA,R-3,AB6C12D6E_hR312_148_ae_4f_8f_4f_bd:Cu-F-H-O-Si,104.0,AB6C12D6E_hR312_148_ae_4f_8f_4f_bd:Cu-F-H-O-Si +mp-722246,SiH10(O2F3)2,-5.3022997186,-1.940004141,0.0,-0.006737716,GGA,P2_1/c,A6B10C4D_mP42_14_3e_5e_2e_a:F-H-O-Si,42.0,A6B10C4D_mP42_14_3e_5e_2e_a:F-H-O-Si +mp-24242,CuHOF,-5.0068063763,-1.4192812778,0.0,-0.00353085,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:Cu-F-H-O,16.0,ABCD_mP16_14_e_e_e_e:Cu-F-H-O +mp-1201470,Sb2Os(OF7)2,-5.2771081347,-2.3224000886,0.0,-0.0170385717,GGA,P-1,A14B2CD2_aP38_2_14i_2i_i_2i:F-O-Os-Sb,38.0,A14B2CD2_aP38_2_14i_2i_i_2i:F-O-Os-Sb +mp-558754,Sb4OsC6(O3F11)2,-6.0973960823,-2.126933649,0.0838546,0.0838546,GGA,P2_1/c,A6B22C6DE4_mP78_14_3e_11e_3e_a_2e:C-F-O-Os-Sb,78.0,"Invalid WP multiplicities - A6B22C6DE4_mP78_14_12e_41e_10e_a_4e:C-F-O-Os-Sb, expected Sb8OsC24(O10F41)2 to be Sb4OsC6(O3F11)2" +mp-559010,Sb2OsC4(OF3)4,-6.3608213929,-2.0510590305,0.0573966128,0.0573966128,GGA,Pna2_1,A4B12C4DE2_oP92_33_4a_12a_4a_a_2a:C-F-O-Os-Sb,92.0,"Invalid WP multiplicities - A4B12C4DE2_oP92_33_12a_46a_16a_a_5a:C-F-O-Os-Sb, expected Sb5OsC12(O8F23)2 to be Sb2OsC4(OF3)4" +mp-6880,Sb2OsC6(OF2)6,-6.6357242304,-1.9144189436,0.078377782,0.078377782,GGA,P4/mnc,A6B12C6DE2_tP54_128_eh_gi_eh_a_d:C-F-O-Os-Sb,54.0,"Invalid WP multiplicities - A6B12C6DE2_tP54_128_e2h_4g3i_e2h_a_d:C-F-O-Os-Sb, expected Sb2OsC10(OF4)10 to be Sb2OsC6(OF2)6" +mp-1190783,CuP2(HO)4,-5.6151867764,-1.2257803483,0.1666142345,0.1666142345,GGA,P2_1/c,AB4C4D2_mP22_14_a_2e_2e_e:Cu-H-O-P,22.0,AB4C4D2_mP22_14_a_2e_2e_e:Cu-H-O-P +mp-1191524,CuP2(HO)4,-5.5933234795,-1.2039170515,0.1884775313,0.1884775313,GGA,Pmma,AB4C4D2_oP22_51_a_jk_ik_ef:Cu-H-O-P,22.0,AB4C4D2_oP22_51_a_jk_ik_ef:Cu-H-O-P +mp-24156,CuP2(HO)4,-5.6150804843,-1.2256740563,0.1667205265,0.1667205265,GGA,Pbca,AB4C4D2_oP44_61_a_2c_2c_c:Cu-H-O-P,44.0,"Invalid WP multiplicities - AB4C4D2_oP44_61_a_2c_3c_c:Cu-H-O-P, expected CuP2(H2O3)2 to be CuP2(HO)4" +mp-1204687,Cu3P2H2O9,-6.402137698,-1.7502704783,0.0160676949,0.0160676949,GGA,C2/c,A3B2C9D2_mC128_15_3f_2f_9f_2f:Cu-H-O-P,64.0,A3B2C9D2_mC128_15_3f_2f_9f_2f:Cu-H-O-P +mp-730473,CuP2(H2O3)2,-6.0177654681,-1.5426233042000002,0.1809847393,0.1809847393,GGA,P2_1/c,AB4C6D2_mP52_14_e_4e_6e_2e:Cu-H-O-P,52.0,AB4C6D2_mP52_14_e_4e_6e_2e:Cu-H-O-P +mp-883223,Cu9P4(HO10)2,-4.8524220086,-0.1591278265,1.5132642097,1.5020129642,GGA,P-1,A9B2C20D4_aP35_2_a4i_i_10i_2i:Cu-H-O-P,35.0,A9B2C20D4_aP35_2_a4i_i_10i_2i:Cu-H-O-P +mp-740764,Cu9P4(HO10)2,-6.3656862183000005,-1.6723920362,0.0,-0.0112512455,GGA,P-1,A9B2C20D4_aP35_2_a4i_i_10i_2i:Cu-H-O-P,35.0,A9B2C20D4_aP35_2_a4i_i_10i_2i:Cu-H-O-P +mp-697156,BaCu2P2H2O9,-6.6859411959,-2.1703384594,0.0093134764,0.0093134764,GGA,P2_12_12_1,AB2C2D9E2_oP64_19_a_2a_2a_9a_2a:Ba-Cu-H-O-P,64.0,AB2C2D9E2_oP64_19_a_2a_2a_9a_2a:Ba-Cu-H-O-P +mp-1201654,CuPHO4,-6.5495026412,-1.879218346,0.0,-0.0045970474,GGA,R-3,ABC4D_hR126_148_f_f_4f_f:Cu-H-O-P,42.0,ABC4D_hR126_148_f_f_4f_f:Cu-H-O-P +mp-1203507,CuP(HO)5,-5.6750361556,-1.4075709091,0.1668475571,0.1668475571,GGA,P2_1/c,AB5C5D_mP48_14_e_5e_5e_e:Cu-H-O-P,48.0,AB5C5D_mP48_14_e_5e_5e_e:Cu-H-O-P +mp-505785,CuP(HO)5,-5.6827325633,-1.4152673168,0.1591511494,0.1591511494,GGA,P2_12_12_1,AB5C5D_oP48_19_a_5a_5a_a:Cu-H-O-P,48.0,AB5C5D_oP48_19_a_5a_5a_a:Cu-H-O-P +mp-720380,CuP2(HO3)2,-6.083954223,-1.4120091283,0.5349751504,0.5349751504,GGA,P2_1/c,AB2C6D2_mP44_14_e_2e_6e_2e:Cu-H-O-P,44.0,AB2C6D2_mP44_14_e_2e_6e_2e:Cu-H-O-P +mp-1200251,Cu2PHO5,-6.2948656019,-1.6573227744,0.021219709,0.021219709,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:Cu-H-O-P,36.0,A2BC5D_mP36_14_2e_e_5e_e:Cu-H-O-P +mp-510654,Cu2PHO5,-6.2965399292,-1.6589971016,0.0195453817,0.0195453817,GGA,Pnnm,A2BC5D_oP36_58_eg_g_3gh_g:Cu-H-O-P,36.0,A2BC5D_oP36_58_eg_g_3gh_g:Cu-H-O-P +mp-754082,Li6Mn2OF11,-5.6816047545,-2.8940784976,0.0393263784,0.0393263784,GGA+U,P1,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O,20.0,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O +mp-802225,Li6Mn2OF11,-4.215023846,-1.4274975891,1.5059072869,1.5059072869,GGA+U,P1,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O,20.0,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O +mp-1344128,Li6Mn2OF11,-5.0703647085,-2.2828384516,0.6505664244,0.6505664244,GGA+U,P1,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O,20.0,A11B6C2D_aP20_1_11a_6a_2a_a:F-Li-Mn-O +mp-1177011,Li6Mn2OF11,-5.6691220665,-2.8815958096000003,0.0518090664,0.0518090664,GGA+U,C2,A11B6C2D_mC40_5_a5c_3c_c_b:F-Li-Mn-O,,"Invalid WP multiplicities - A11B6C2D_mC40_5_a10c_3c_c_b:F-Li-Mn-O, expected Li6Mn2OF21 to be Li6Mn2OF11" +mp-765992,Li3Mn(OF)2,-6.1419517444,-2.5663118382,0.0969135162,0.0969135162,GGA+U,Cc,A2B3CD2_mC64_9_4a_6a_2a_4a:F-Li-Mn-O,32.0,"Invalid WP multiplicities - A2B3CD2_mC64_9_6a_10a_2a_6a:F-Li-Mn-O, expected Li5Mn(OF)3 to be Li3Mn(OF)2" +mp-753308,Li3Mn(OF)2,-6.1693392919,-2.5936993857,0.0695259687,0.0695259687,GGA+U,P2/c,A2B3CD2_mP16_13_g_e2f_e_g:F-Li-Mn-O,32.0,A2B3CD2_mP16_13_g_e2f_e_g:F-Li-Mn-O +mp-753602,Li3Mn(OF)2,-6.2144398538,-2.6387999476,0.0244254069,0.0244254069,GGA+U,Cmmm,A2B3CD2_oC16_65_g_af_b_j:F-Li-Mn-O,32.0,A2B3CD2_oC16_65_g_af_b_j:F-Li-Mn-O +mp-753538,Li7MnO5F,-5.6864764032,-2.1743765545,0.0962316261,0.0962316261,GGA+U,P1,AB7CD5_aP14_1_a_7a_a_5a:F-Li-Mn-O,56.0,AB7CD5_aP14_1_a_7a_a_5a:F-Li-Mn-O +mp-767576,Li6MnO4F,-5.7209545423,-2.1948056836,0.084031459,0.084031459,GGA+U,P2_1,AB6CD4_mP24_4_a_6a_a_4a:F-Li-Mn-O,48.0,AB6CD4_mP24_4_a_6a_a_4a:F-Li-Mn-O +mp-772667,MnH4(OF2)2,-5.5274071636,-1.8662969123,0.0156470676,0.0156470676,GGA+U,C2/c,A4B4CD2_mC44_15_2f_2f_c_f:F-H-Mn-O,44.0,A4B4CD2_mC44_15_2f_2f_c_f:F-H-Mn-O +mp-759358,LiMn7(O3F)3,-7.9986289895,-2.1837457288,0.0891107705,0.0891107705,GGA+U,R3,A3BC7D9_hR60_146_b_a_a2b_3b:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A3BC7D9_hR60_146_b_a_a4b_9b:F-Li-Mn-O, expected LiMn13(O9F)3 to be LiMn7(O3F)3" +mp-763431,LiMn5O3F5,-7.6384797064,-2.4873039708,0.0856249607,0.0856249607,GGA+U,Cm,A5BC5D3_mC28_8_a2b_a_3ab_3a:F-Li-Mn-O,14.0,A5BC5D3_mC28_8_a2b_a_3ab_3a:F-Li-Mn-O +mp-759115,LiMn5O3F5,-7.64297353,-2.4917977944,0.0811311371,0.0811311371,GGA+U,R3m,A5BC5D3_hR42_160_2ab_a_2ab_b:F-Li-Mn-O,14.0,"Invalid WP multiplicities - A5BC5D3_hR42_160_2ab_a_2a2b_b:F-Li-Mn-O, expected LiMn8O3F5 to be LiMn5O3F5" +mp-753462,Li4Mn3(OF3)3,-6.1505459621,-2.6155399524,0.0910049705,0.0910049705,GGA+U,P1,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Li-Mn-O,19.0,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Li-Mn-O +mp-753431,LiMn2O2F3,-7.0324060394,-2.5498100674,0.0323044447,0.0323044447,GGA+U,C2,A3BC2D2_mC32_5_ab2c_c_2c_2c:F-Li-Mn-O,16.0,"Invalid WP multiplicities - A3BC2D2_mC32_5_ab4c_c_4c_4c:F-Li-Mn-O, expected LiMn4O4F5 to be LiMn2O2F3" +mp-753780,LiMn2O2F3,-7.0159153069,-2.5333193349,0.0487951772,0.0487951772,GGA+U,Cm,A3BC2D2_mC32_8_6a_2a_4a_4a:F-Li-Mn-O,16.0,A3BC2D2_mC32_8_6a_2a_4a_4a:F-Li-Mn-O +mp-763878,LiMn2O2F3,-7.0006173069,-2.5180213349,0.0640931772,0.0640931772,GGA+U,C2/m,A3BC2D2_mC32_12_3i_i_2i_2i:F-Li-Mn-O,16.0,"Invalid WP multiplicities - A3BC2D2_mC32_12_5i_i_3i_3i:F-Li-Mn-O, expected LiMn3O3F5 to be LiMn2O2F3" +mp-753144,LiMn2O2F3,-7.0250501825,-2.5424542105,0.0396603016,0.0396603016,GGA+U,C2/c,A3BC2D2_mC32_15_ef_a_f_f:F-Li-Mn-O,16.0,A3BC2D2_mC32_15_ef_c_f_f:F-Li-Mn-O +mp-1176658,LiMn2O2F3,-7.0380362775,-2.5554403055,0.0266742066,0.0266742066,GGA+U,C2/c,A3BC2D2_mC32_15_ef_a_f_f:F-Li-Mn-O,16.0,A3BC2D2_mC32_15_ef_c_f_f:F-Li-Mn-O +mp-753612,LiMn2O2F3,-7.0421507756,-2.5595548036,0.0225597084,0.0225597084,GGA+U,Cmcm,A3BC2D2_oC32_63_cf_c_f_f:F-Li-Mn-O,16.0,A3BC2D2_oC32_63_cf_c_f_f:F-Li-Mn-O +mp-1661801,Li3Mn8(OF3)4,-7.1864468681,-2.6772841499,0.069624417,0.069624417,GGA+U,P-1,A12B3C8D4_aP27_2_6i_ci_ad3i_2i:F-Li-Mn-O,27.0,"Invalid WP multiplicities - A12B3C8D4_aP27_2_10i_ci_ad3i_2i:F-Li-Mn-O, expected Li3Mn8(OF5)4 to be Li3Mn8(OF3)4" +mp-763504,Li3Mn8(OF3)4,-7.1837056685,-2.6745429503,0.0723656167,0.0723656167,GGA+U,C2/m,A12B3C8D4_mC54_12_2i2j_ai_eij_2i:F-Li-Mn-O,27.0,"Invalid WP multiplicities - A12B3C8D4_mC54_12_2i2j_ai_e2ij_2i:F-Li-Mn-O, expected Li3Mn10(OF3)4 to be Li3Mn8(OF3)4" +mp-759049,LiMn3(O2F)2,-7.57784,-2.2773718477,0.0794100268,0.0794100268,GGA+U,P1,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O,10.0,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O +mp-753705,LiMn3(O2F)2,-7.564004233,-2.2635360807,0.0932457938,0.0932457938,GGA+U,P1,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O,10.0,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O +mp-1445091,LiMn3(O2F)2,-2.795888215,2.5045799373,4.8613618118,4.8613618118,GGA+U,P1,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O,10.0,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O +mp-1384538,LiMn3(O2F)2,-2.914170541,2.3862976113,4.7430794858,4.7430794858,GGA+U,P1,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O,10.0,A2BC3D4_aP10_1_2a_a_3a_4a:F-Li-Mn-O +mp-753735,Li5Mn5O9F,-7.2800360385,-2.1907176304,0.0522672325,0.0522672325,GGA+U,P1,AB5C5D9_aP20_1_a_5a_5a_9a:F-Li-Mn-O,20.0,AB5C5D9_aP20_1_a_5a_5a_9a:F-Li-Mn-O +mp-759693,Li3MnO2F,-6.066412125,-2.2530349418,0.1031115224,0.1031115224,GGA+U,P-1,AB3CD2_aP14_2_i_3i_i_2i:F-Li-Mn-O,14.0,"Invalid WP multiplicities - AB3CD2_aP14_2_i_5i_i_3i:F-Li-Mn-O, expected Li5MnO3F to be Li3MnO2F" +mp-756674,Li3MnO2F,-6.0757687432,-2.2623915601,0.0937549042,0.0937549042,GGA+U,Pnnm,AB3CD2_oP28_58_g_3g_g_2g:F-Li-Mn-O,28.0,"Invalid WP multiplicities - AB3CD2_oP28_58_g_9g_g_5g:F-Li-Mn-O, expected Li9MnO5F to be Li3MnO2F" +mp-753509,Li3MnOF4,-5.884818615,-2.8313310069,0.0751335529,0.0751335529,GGA+U,Cm,A4B3CD_mC18_8_4a_3a_a_a:F-Li-Mn-O,18.0,A4B3CD_mC18_8_4a_3a_a_a:F-Li-Mn-O +mp-1276200,Li3MnOF4,-5.8877939633,-2.8343063552,0.0721582046,0.0721582046,GGA+U,Cm,A4B3CD_mC18_8_4a_3a_a_a:F-Li-Mn-O,18.0,A4B3CD_mC18_8_4a_3a_a_a:F-Li-Mn-O +mp-1232973,LiMn6(OF2)4,-7.36343381,-2.5234547993,0.1230081599,0.1230081599,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1232977,LiMn6(OF2)4,-7.3719536168,-2.5319746061,0.1144883531,0.1144883531,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235253,LiMn6(OF2)4,-7.3645925195,-2.5246135087,0.1218494504,0.1218494504,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235271,LiMn6(OF2)4,-7.3652743079,-2.5252952972,0.121167662,0.121167662,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235365,LiMn6(OF2)4,-7.3197513779,-2.4797723672,0.166690592,0.166690592,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235396,LiMn6(OF2)4,-7.3672281084,-2.5272490977,0.1192138615,0.1192138615,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235910,LiMn6(OF2)4,-7.3617655721,-2.5217865614,0.1246763978,0.1246763978,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1235929,LiMn6(OF2)4,-7.3425516379,-2.5025726272,0.143890332,0.143890332,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1236230,LiMn6(OF2)4,-7.3397247705,-2.4997457598,0.1467171994,0.1467171994,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-1236517,LiMn6(OF2)4,-7.3532402989,-2.5132612882,0.133201671,0.133201671,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Li-Mn-O +mp-753931,Li7Mn(OF)3,-5.3306228818,-2.252124425,0.2734633899,0.2734633899,GGA+U,P1,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O,28.0,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O +mp-760307,Li7Mn(OF)3,-5.5187849157,-2.4402864589,0.085301356,0.085301356,GGA+U,P1,A3B7CD3_aP14_1_3a_7a_a_3a:F-Li-Mn-O,56.0,A3B7CD3_aP14_1_3a_7a_a_3a:F-Li-Mn-O +mp-761154,Li7Mn(OF)3,-5.500723555,-2.4222250982,0.1033627167,0.1033627167,GGA+U,P1,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O,28.0,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O +mp-799423,Li7Mn(OF)3,-3.8902965861,-0.8117981293000001,1.7137896856,1.7137896856,GGA+U,P1,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O,28.0,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O +mp-1323692,Li7Mn(OF)3,-4.82002433,-1.7415258732,0.7840619417,0.7840619417,GGA+U,P1,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O,28.0,A3B7CD3_aP28_1_6a_14a_2a_6a:F-Li-Mn-O +mp-753529,Li3Mn2OF5,-6.3028252191,-2.7978358797,0.0985614264,0.0985614264,GGA+U,F222,A5B3C2D_oF88_22_f2k_acej_bde_i:F-Li-Mn-O,22.0,"Invalid WP multiplicities - A5B3C2D_oF88_22_2f6k_ac2ej_bd2e_i:F-Li-Mn-O, expected Li4Mn3OF14 to be Li3Mn2OF5" +mp-759996,Li2Mn2OF4,-6.597497925,-2.7381111585,0.0983867494,0.0983867494,GGA+U,P1,A4B2C2D_aP36_1_16a_8a_8a_4a:F-Li-Mn-O,36.0,A4B2C2D_aP36_1_16a_8a_8a_4a:F-Li-Mn-O +mp-761165,Li3Mn3OF7,-6.5333766689,-2.8519583861,0.0598532468,0.0598532468,GGA+U,R3m,A7B3C3D_hR42_160_a2b_3a_b_a:F-Li-Mn-O,28.0,A7B3C3D_hR42_160_a2b_3a_b_a:F-Li-Mn-O +mp-753929,Li2MnOF2,-6.3120407317,-2.6871227864,0.08345866,0.08345866,GGA+U,Cmcm,A2B2CD_oC24_63_g_g_c_c:F-Li-Mn-O,24.0,A2B2CD_oC24_63_g_g_c_c:F-Li-Mn-O +mp-753522,Li4Mn(OF)2,-5.8346644689,-2.4442153449,0.0918862602,0.0918862602,GGA+U,P2_1/c,A2B4CD2_mP18_14_e_2e_a_e:F-Li-Mn-O,18.0,A2B4CD2_mP18_14_e_2e_a_e:F-Li-Mn-O +mp-764786,Li4Mn(OF)2,-5.8344673281,-2.444018204,0.092083401,0.092083401,GGA+U,Cmcm,A2B4CD2_oC36_63_f_eg_c_g:F-Li-Mn-O,36.0,A2B4CD2_oC36_63_f_eg_c_g:F-Li-Mn-O +mp-763440,Li8Mn(O2F)2,-5.4843035077,-2.2814294406,0.0670882913,0.0670882913,GGA+U,P-1,A2B8CD4_aP30_2_2i_8i_be_4i:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A2B8CD4_aP30_2_3i_15i_be_7i:F-Li-Mn-O, expected Li15MnO7F3 to be Li8Mn(O2F)2" +mp-780086,Li8Mn(O2F)2,-5.4805625588,-2.2776884918,0.0708292402,0.0708292402,GGA+U,P-1,A2B8CD4_aP15_2_i_4i_a_2i:F-Li-Mn-O,60.0,A2B8CD4_aP15_2_i_4i_a_2i:F-Li-Mn-O +mp-763831,Li8Mn(O2F)2,-5.4649466867,-2.2620726196,0.0864451123,0.0864451123,GGA+U,Cmc2_1,A2B8CD4_oC60_36_b_2a3b_a_2ab:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A2B8CD4_oC60_36_b_3a8b_a_3a3b:F-Li-Mn-O, expected Li19MnO9F2 to be Li8Mn(O2F)2" +mp-752744,Li4Mn5O9F,-7.4231870084,-2.1664793613,0.0659606787,0.0659606787,GGA+U,P1,AB4C5D9_aP19_1_a_4a_5a_9a:F-Li-Mn-O,19.0,AB4C5D9_aP19_1_a_4a_5a_9a:F-Li-Mn-O +mp-753850,Li4Mn5O9F,-7.4235390321,-2.166831385,0.065608655,0.065608655,GGA+U,Cm,AB4C5D9_mC38_8_a_4a_5a_9a:F-Li-Mn-O,19.0,AB4C5D9_mC38_8_a_4a_5a_9a:F-Li-Mn-O +mp-753625,Li8MnO5F,-5.6137125755,-2.2084911922,0.0269829242,0.0269829242,GGA+U,P1,AB8CD5_aP15_1_a_8a_a_5a:F-Li-Mn-O,60.0,AB8CD5_aP15_1_a_8a_a_5a:F-Li-Mn-O +mp-766137,Li8MnO5F,-5.5750608843,-2.1698395011,0.0656346153,0.0656346153,GGA+U,P1,AB8CD5_aP30_1_2a_16a_2a_10a:F-Li-Mn-O,30.0,AB8CD5_aP30_1_2a_16a_2a_10a:F-Li-Mn-O +mp-760368,LiMn5O5F,-8.2857178233,-2.0887243358,0.0888123833,0.0888123833,GGA+U,P3m1,ABC5D5_hP12_156_a_b_3a2b_2a3b:F-Li-Mn-O,12.0,ABC5D5_hP12_156_a_b_3a2b_2a3b:F-Li-Mn-O +mp-1275120,Li2MnOF3,-6.1384717089,-2.7583307605,0.0739966455,0.0739966455,GGA+U,P-1,A3B2CD_aP14_2_3i_abi_i_i:F-Li-Mn-O,28.0,A3B2CD_aP14_2_3i_abi_i_i:F-Li-Mn-O +mp-753252,Li2MnOF3,-6.1484131354,-2.7682721869,0.0640552191,0.0640552191,GGA+U,C2,A3B2CD_mC28_5_3c_2c_ab_c:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD_mC28_5_3c_2c_2a2b_c:F-Li-Mn-O, expected Li2Mn2OF3 to be Li2MnOF3" +mp-765036,Li2MnOF3,-6.1213705764,-2.741229628,0.091097778,0.091097778,GGA+U,Pc,A3B2CD_mP14_7_3a_2a_a_a:F-Li-Mn-O,28.0,A3B2CD_mP14_7_3a_2a_a_a:F-Li-Mn-O +mp-861177,Li2MnOF3,-6.1408314193,-2.7606904708,0.0716369352,0.0716369352,GGA+U,Cm,A3B2CD_mC28_8_4ab_2ab_2a_b:F-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2CD_mC28_8_4ab_2a2b_2a_b:F-Li-Mn-O, expected Li3MnOF3 to be Li2MnOF3" +mp-753282,Li2MnOF3,-6.1792900396,-2.7991490912,0.0331783148,0.0331783148,GGA+U,C2/m,A3B2CD_mC28_12_ij_aci_e_i:F-Li-Mn-O,28.0,A3B2CD_mC28_12_ij_adi_e_i:F-Li-Mn-O +mp-753588,Li2MnOF3,-6.1316274754,-2.7514865269,0.0808408791,0.0808408791,GGA+U,C2/m,A3B2CD_mC28_12_3i_aci_i_i:F-Li-Mn-O,28.0,A3B2CD_mC28_12_3i_adi_i_i:F-Li-Mn-O +mp-753603,Li2MnOF3,-6.1363280468,-2.7561870983,0.0761403077,0.0761403077,GGA+U,Pmc2_1,A3B2CD_oP14_26_a2b_2a_b_a:F-Li-Mn-O,28.0,A3B2CD_oP14_26_a2b_2a_b_a:F-Li-Mn-O +mp-753753,Li2MnOF3,-6.1762069111,-2.7960659626,0.0362614434,0.0362614434,GGA+U,P4_1,A3B2CD_tP28_76_3a_2a_a_a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2CD_tP28_76_8a_3a_a_a:F-Li-Mn-O, expected Li3MnOF8 to be Li2MnOF3" +mp-766030,Li6Mn2O5F2,-6.2218000273,-2.3328687423,0.0760574787,0.0760574787,GGA+U,P1,A2B6C2D5_aP30_1_4a_12a_4a_10a:F-Li-Mn-O,30.0,A2B6C2D5_aP30_1_4a_12a_4a_10a:F-Li-Mn-O +mp-767601,Li6Mn2O5F2,-6.2022500577,-2.3133187726,0.0956074483,0.0956074483,GGA+U,P-1,A2B6C2D5_aP30_2_2i_6i_2i_5i:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A2B6C2D5_aP30_2_2i_11i_3i_9i:F-Li-Mn-O, expected Li11Mn3O9F2 to be Li6Mn2O5F2" +mp-766095,Li6Mn2O5F2,-6.218379545,-2.32944826,0.079477961,0.079477961,GGA+U,Pc,A2B6C2D5_mP30_7_2a_6a_2a_5a:F-Li-Mn-O,30.0,A2B6C2D5_mP30_7_4a_12a_4a_10a:F-Li-Mn-O +mp-753615,Li3Mn3(OF)4,-6.8715348800000005,-2.5397145092,0.0482567149,0.0482567149,GGA+U,C2/m,A4B3C3D4_mC28_12_j_ai_ce_2i:F-Li-Mn-O,14.0,"Invalid WP multiplicities - A4B3C3D4_mC28_12_j_c2i_be_3i:F-Li-Mn-O, expected Li5Mn3(O3F2)2 to be Li3Mn3(OF)4" +mp-759714,Li2Mn3OF6,-6.7695642006,-2.7929430235,0.0765131152,0.0765131152,GGA+U,P1,A6B2C3D_aP48_1_24a_8a_12a_4a:F-Li-Mn-O,48.0,A6B2C3D_aP48_1_24a_8a_12a_4a:F-Li-Mn-O +mp-761162,Li2Mn3OF6,-6.7685211658,-2.7918999887,0.07755615,0.07755615,GGA+U,P-1,A6B2C3D_aP24_2_6i_2i_3i_i:F-Li-Mn-O,24.0,"Invalid WP multiplicities - A6B2C3D_aP24_2_6i_2i_4i_i:F-Li-Mn-O, expected Li2Mn4OF6 to be Li2Mn3OF6" +mp-735521,MnH6(OF)3,-5.60092698,-1.7476289340000002,0.0,-0.0087881156,GGA+U,P2_1/c,A3B6CD3_mP52_14_3e_6e_ad_3e:F-H-Mn-O,52.0,A3B6CD3_mP52_14_3e_6e_ab_3e:F-H-Mn-O +mp-743569,MnH6(OF)3,-5.6007291958,-1.7474311497,0.0001977842,-0.0085903313,GGA+U,P2_1/c,A3B6CD3_mP52_14_3e_6e_ad_3e:F-H-Mn-O,52.0,A3B6CD3_mP52_14_3e_6e_ad_3e:F-H-Mn-O +mp-763819,Li4Mn7(OF7)2,-6.8174454456,-2.8017461315,0.0786960841,0.0786960841,GGA+U,C2/m,A14B4C7D2_mC54_12_3i2j_2i_aefi_i:F-Li-Mn-O,27.0,"Invalid WP multiplicities - A14B4C7D2_mC54_12_3i4j_3i_aef2i_i:F-Li-Mn-O, expected Li6Mn9(OF11)2 to be Li4Mn7(OF7)2" +mp-767162,Li2Mn3O4F3,-6.8463527971,-2.110929184,0.3807131444,0.3807131444,GGA+U,P1,A3B2C3D4_aP24_1_6a_4a_6a_8a:F-Li-Mn-O,24.0,A3B2C3D4_aP24_1_6a_4a_6a_8a:F-Li-Mn-O +mp-760156,LiMnOF2,-6.5641253998,-2.5960084388,0.1028720905,0.1028720905,GGA+U,P1,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-Mn-O,40.0,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-Mn-O +mp-753743,LiMnOF2,-6.589304891,-2.62118793,0.0776925992,0.0776925992,GGA+U,P-1,A2BCD_aP20_2_4i_2i_2i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_aP20_2_7i_3i_4i_3i:F-Li-Mn-O, expected Li3Mn4O3F7 to be LiMnOF2" +mp-759975,LiMnOF2,-6.566777361,-2.5986604,0.1002201292,0.1002201292,GGA+U,P-1,A2BCD_aP20_2_4i_2i_2i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_aP20_2_7i_2i_2i_3i:F-Li-Mn-O, expected Li2Mn2O3F7 to be LiMnOF2" +mp-801341,LiMnOF2,-0.8468081810000001,3.12130878,5.8201893092,5.8201893092,GGA+U,P-1,A2BCD_aP20_2_4i_2i_2i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_aP20_2_7i_2i_2i_3i:F-Li-Mn-O, expected Li2Mn2O3F7 to be LiMnOF2" +mp-1340104,LiMnOF2,-5.621407356,-1.653290395,1.0455901342,1.0455901342,GGA+U,P-1,A2BCD_aP20_2_4i_2i_2i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_aP20_2_7i_2i_2i_3i:F-Li-Mn-O, expected Li2Mn2O3F7 to be LiMnOF2" +mp-759845,LiMnOF2,-6.5881504288,-2.6200334678,0.0788470615,0.0788470615,GGA+U,Pc,A2BCD_mP40_7_8a_4a_4a_4a:F-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD_mP40_7_14a_6a_6a_7a:F-Li-Mn-O, expected Li6Mn6(OF2)7 to be LiMnOF2" +mp-759508,LiMnOF2,-6.5895871317,-2.6214701708,0.0774103585,0.0774103585,GGA+U,Pc,A2BCD_mP40_7_8a_4a_4a_4a:F-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD_mP40_7_14a_4a_8a_8a:F-Li-Mn-O, expected Li2Mn4O4F7 to be LiMnOF2" +mp-759166,LiMnOF2,-6.581879659,-2.613762698,0.0851178312,0.0851178312,GGA+U,Cc,A2BCD_mC20_9_2a_a_a_a:F-Li-Mn-O,10.0,"Invalid WP multiplicities - A2BCD_mC20_9_3a_a_a_a:F-Li-Mn-O, expected LiMnOF3 to be LiMnOF2" +mp-765076,LiMnOF2,-6.5865069265,-2.6183899655,0.0804905637,0.0804905637,GGA+U,C2/c,A2BCD_mC40_15_2f_f_ce_f:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_mC40_15_5f_f_2a2e_f:F-Li-Mn-O, expected LiMn2OF5 to be LiMnOF2" +mp-776488,LiMnOF2,-6.644081005,-2.675964044,0.0229164852,0.0229164852,GGA+U,C2/c,A2BCD_mC40_15_2f_f_2e_f:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_mC40_15_7f_f_3e_f:F-Li-Mn-O, expected Li2Mn3(OF7)2 to be LiMnOF2" +mp-759641,LiMnOF2,-6.570961224,-2.602844263,0.0960362662,0.0960362662,GGA+U,Pca2_1,A2BCD_oP40_29_4a_2a_2a_2a:F-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD_oP40_29_6a_2a_6a_3a:F-Li-Mn-O, expected Li2Mn6(OF2)3 to be LiMnOF2" +mp-760040,LiMnOF2,-6.580989689,-2.612872728,0.0860078012,0.0860078012,GGA+U,Pnn2,A2BCD_oP20_34_2c_ab_ab_c:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_oP20_34_5c_2a2b_2a2b_c:F-Li-Mn-O, expected Li2Mn2OF5 to be LiMnOF2" +mp-753404,LiMnOF2,-6.570165086,-2.602048125,0.0968324042,0.0968324042,GGA+U,Pnma,A2BCD_oP20_62_d_c_a_c:F-Li-Mn-O,20.0,A2BCD_oP20_62_d_c_a_c:F-Li-Mn-O +mp-753878,LiMnOF2,-6.599832076,-2.631715115,0.0671654142,0.0671654142,GGA+U,Pnma,A2BCD_oP20_62_2c_c_c_c:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD_oP20_62_3c_c_c_c:F-Li-Mn-O, expected LiMnOF3 to be LiMnOF2" +mp-753944,Li4Mn3O5F3,-6.7948966733,-2.4222554866,0.094838676,0.094838676,GGA+U,Cm,A3B4C3D5_mC30_8_3a_4a_3a_5a:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A3B4C3D5_mC30_8_3a_4a_6a_5a:F-Li-Mn-O, expected Li4Mn6O5F3 to be Li4Mn3O5F3" +mp-753986,Li6Mn(OF2)2,-5.563234565,-2.6282464277,0.1016530213,0.1016530213,GGA+U,P-1,A4B6CD2_aP26_2_4i_6i_bc_2i:F-Li-Mn-O,26.0,"Invalid WP multiplicities - A4B6CD2_aP26_2_7i_11i_bc_3i:F-Li-Mn-O, expected Li11MnO3F7 to be Li6Mn(OF2)2" +mp-753004,Li6Mn(OF2)2,-5.5582723269,-2.6232841896,0.1066152594,0.1066152594,GGA+U,C2/c,A4B6CD2_mC52_15_2f_3f_a_f:F-Li-Mn-O,26.0,"Invalid WP multiplicities - A4B6CD2_mC52_15_3f_9f_c_f:F-Li-Mn-O, expected Li18Mn(OF3)2 to be Li6Mn(OF2)2" +mp-802090,Li4MnO2F3,-2.130792212,1.1117598964,3.8755290995,3.8755290995,GGA+U,P-1,A3B4CD2_aP20_2_3i_bd3i_i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A3B4CD2_aP20_2_5i_bd5i_i_3i:F-Li-Mn-O, expected Li6MnO3F5 to be Li4MnO2F3" +mp-1344975,Li4MnO2F3,-4.80074686,-1.5581947516,1.2055744515,1.2055744515,GGA+U,P-1,A3B4CD2_aP20_2_3i_be3i_i_2i:F-Li-Mn-O,20.0,"Invalid WP multiplicities - A3B4CD2_aP20_2_5i_be5i_i_3i:F-Li-Mn-O, expected Li6MnO3F5 to be Li4MnO2F3" +mp-759014,Li4MnO2F3,-5.910645834,-2.6680937256,0.0956754775,0.0956754775,GGA+U,Cm,A3B4CD2_mC20_8_3a_4a_a_2a:F-Li-Mn-O,40.0,A3B4CD2_mC20_8_3a_4a_a_2a:F-Li-Mn-O +mp-765998,Li4Mn8O9F7,-7.3932028493,-2.4349041001,0.0756456288,0.0756456288,GGA+U,P1,A7B4C8D9_aP28_1_7a_4a_8a_9a:F-Li-Mn-O,28.0,A7B4C8D9_aP28_1_7a_4a_8a_9a:F-Li-Mn-O +mp-760276,Li5MnOF5,-5.6744550758,-2.9068956447,0.0613673775,0.0613673775,GGA+U,P3m1,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Mn-O,12.0,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Mn-O +mp-753101,Li4MnO3F,-5.9796598225,-2.2519651714,0.0991436814,0.0991436814,GGA+U,Cmc2_1,AB4CD3_oC36_36_a_2b_a_ab:F-Li-Mn-O,36.0,AB4CD3_oC36_36_a_2b_a_ab:F-Li-Mn-O +mp-759326,Li6Mn11(OF12)2,-6.7602278388,-2.8531446282,0.078383004,0.078383004,GGA+U,P1,A24B6C11D2_aP43_1_24a_6a_11a_2a:F-Li-Mn-O,43.0,A24B6C11D2_aP43_1_24a_6a_11a_2a:F-Li-Mn-O +mp-753977,Li4Mn3(OF3)2,-6.4940785640000005,-2.728479326,0.0816519973,0.0816519973,GGA+U,P-1,A6B4C3D2_aP15_2_3i_2i_ai_i:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A6B4C3D2_aP15_2_3i_2i_2a2i_i:F-Li-Mn-O, expected Li2Mn3OF3 to be Li4Mn3(OF3)2" +mp-753440,LiMn3(OF3)2,-6.8003699708,-2.57060164,0.0902977858,0.0902977858,GGA+U,P1,A6BC3D2_aP12_1_6a_a_3a_2a:F-Li-Mn-O,12.0,A6BC3D2_aP12_1_6a_a_3a_2a:F-Li-Mn-O +mp-753814,LiMn3(OF3)2,-6.8347928454,-2.6050245146,0.0558749112,0.0558749112,GGA+U,P-1,A6BC3D2_aP24_2_6i_i_3i_2i:F-Li-Mn-O,24.0,"Invalid WP multiplicities - A6BC3D2_aP24_2_11i_i_5i_3i:F-Li-Mn-O, expected LiMn5O3F11 to be LiMn3(OF3)2" +mp-753341,LiMn3(OF3)2,-6.8733060662,-2.6435377354,0.0173616904,0.0173616904,GGA+U,P2_1/c,A6BC3D2_mP24_14_3e_a_de_e:F-Li-Mn-O,24.0,"Invalid WP multiplicities - A6BC3D2_mP24_14_9e_a_2b2e_e:F-Li-Mn-O, expected LiMn6(OF9)2 to be LiMn3(OF3)2" +mp-753364,Li2MnO2F,-6.5340739779,-2.403287742,0.0923645312,0.0923645312,GGA+U,P1,AB2CD2_aP12_1_2a_4a_2a_4a:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_aP12_1_2a_4a_4a_4a:F-Li-Mn-O, expected Li2Mn2O2F to be Li2MnO2F" +mp-753359,Li2MnO2F,-6.5356280512,-2.4048418153,0.0908104579,0.0908104579,GGA+U,P1,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Mn-O,24.0,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Mn-O +mp-753352,Li2MnO2F,-6.5369359475,-2.4061497116,0.0895025617,0.0895025617,GGA+U,P-1,AB2CD2_aP24_2_2i_bd3i_2i_4i:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_aP24_2_2i_bd3i_4i_4i:F-Li-Mn-O, expected Li2Mn2O2F to be Li2MnO2F" +mp-802184,Li2MnO2F,-3.8298612192,0.3009250167,2.79657729,2.79657729,GGA+U,P-1,AB2CD2_aP12_2_i_aei_i_2i:F-Li-Mn-O,12.0,"Invalid WP multiplicities - AB2CD2_aP12_2_i_aei_i_4i:F-Li-Mn-O, expected Li2MnO4F to be Li2MnO2F" +mp-1305321,Li2MnO2F,-6.6194528708,-2.4886666349,0.0069856383,0.0069856383,GGA+U,P-1,AB2CD2_aP12_2_i_abi_i_2i:F-Li-Mn-O,24.0,AB2CD2_aP12_2_i_abi_i_2i:F-Li-Mn-O +mp-765951,Li2MnO2F,-6.5467602687,-2.4159740328,0.0796782404,0.0796782404,GGA+U,C2,AB2CD2_mC48_5_2c_2a2b2c_abc_4c:F-Li-Mn-O,24.0,AB2CD2_mC48_5_2c_2a2b2c_abc_4c:F-Li-Mn-O +mp-753961,Li2MnO2F,-6.5372067492,-2.4064205133,0.08923176,0.08923176,GGA+U,C2,AB2CD2_mC48_5_2c_2a3c_a3b_4c:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_mC48_5_4c_2a6c_a3b_7c:F-Li-Mn-O, expected Li7Mn2O7F4 to be Li2MnO2F" +mp-1292668,Li2MnO2F,-6.5339966233,-2.4032103874,0.0924418858,0.0924418858,GGA+U,C2,AB2CD2_mC24_5_c_2a2b_ab_2c:F-Li-Mn-O,12.0,"Invalid WP multiplicities - AB2CD2_mC24_5_c_2a2b_ab_4c:F-Li-Mn-O, expected Li2MnO4F to be Li2MnO2F" +mp-1275690,Li2MnO2F,-6.6016066342,-2.4708203983,0.024831875,0.024831875,GGA+U,C2,AB2CD2_mC24_5_c_abc_c_2c:F-Li-Mn-O,12.0,"Invalid WP multiplicities - AB2CD2_mC24_5_c_ab2c_c_3c:F-Li-Mn-O, expected Li3MnO3F to be Li2MnO2F" +mp-752464,Li2MnO2F,-6.5299380833,-2.3991518474,0.0965004258,0.0965004258,GGA+U,Cc,AB2CD2_mC24_9_2a_4a_2a_4a:F-Li-Mn-O,24.0,AB2CD2_mC24_9_a_2a_a_2a:F-Li-Mn-O +mp-753900,Li2MnO2F,-6.5376869708,-2.4069007349,0.0887515383,0.0887515383,GGA+U,Cc,AB2CD2_mC48_9_2a_4a_2a_4a:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_mC48_9_4a_6a_4a_8a:F-Li-Mn-O, expected Li3Mn2(O2F)2 to be Li2MnO2F" +mp-753906,Li2MnO2F,-6.5180365275,-2.3872502916,0.1084019817,0.1084019817,GGA+U,C2/m,AB2CD2_mC24_12_i_adg_h_j:F-Li-Mn-O,12.0,AB2CD2_mC24_12_i_acg_h_j:F-Li-Mn-O +mp-1280554,Li2MnO2F,-6.6194830512,-2.4886968153,0.0069554579,0.0069554579,GGA+U,C2/m,AB2CD2_mC24_12_i_aci_i_2i:F-Li-Mn-O,24.0,AB2CD2_mC24_12_i_adi_i_2i:F-Li-Mn-O +mp-759509,Li2MnO2F,-6.5840085129,-2.453222277,0.0424299962,0.0424299962,GGA+U,C2/c,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O,24.0,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O +mp-759973,Li2MnO2F,-6.5372200388,-2.4064338028,0.0892184704,0.0892184704,GGA+U,C2/c,AB2CD2_mC48_15_f_cef_2e_2f:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_mC48_15_f_cef_4e_2f:F-Li-Mn-O, expected Li2Mn2O2F to be Li2MnO2F" +mp-850216,Li2MnO2F,-6.53309889,-2.4023126541,0.0933396192,0.0933396192,GGA+U,C2/c,AB2CD2_mC48_15_f_c3e_f_2f:F-Li-Mn-O,24.0,AB2CD2_mC48_15_f_c3e_f_2f:F-Li-Mn-O +mp-753913,Li2MnO2F,-6.5339487337,-2.4031624978,0.0924897754,0.0924897754,GGA+U,C2/c,AB2CD2_mC48_15_f_cef_2e_2f:F-Li-Mn-O,24.0,"Invalid WP multiplicities - AB2CD2_mC48_15_f_2c2e4f_3e_5f:F-Li-Mn-O, expected Li12Mn3(O5F)2 to be Li2MnO2F" +mp-1295085,Li2MnO2F,-6.5930027329000005,-2.462216497,0.0334357762,0.0334357762,GGA+U,C2/c,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O,24.0,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O +mp-1275135,Li2MnO2F,-6.5988759954,-2.4680897595,0.0275625137,0.0275625137,GGA+U,C2/c,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O,24.0,AB2CD2_mC24_15_e_f_e_f:F-Li-Mn-O +mp-753733,Li2MnO2F,-6.5836876088,-2.4529013728,0.0427509004,0.0427509004,GGA+U,Pnma,AB2CD2_oP24_62_c_d_c_d:F-Li-Mn-O,24.0,AB2CD2_oP24_62_c_d_c_d:F-Li-Mn-O +mp-760112,Li2MnO2F,-6.5782758337,-2.4474895978,0.0481626754,0.0481626754,GGA+U,Pnma,AB2CD2_oP24_62_c_2c_c_2c:F-Li-Mn-O,24.0,AB2CD2_oP24_62_c_2c_c_2c:F-Li-Mn-O +mp-1574529,Li2MnO2F,-6.5901536558,-2.4593674199,0.0362848533,0.0362848533,GGA+U,Pnma,AB2CD2_oP24_62_c_d_c_d:F-Li-Mn-O,24.0,AB2CD2_oP24_62_c_d_c_d:F-Li-Mn-O +mp-753659,Li2MnO2F,-6.5518969929,-2.421110757,0.0745415162,0.0745415162,GGA+U,Cmcm,AB2CD2_oC24_63_c_2c_c_2c:F-Li-Mn-O,24.0,AB2CD2_oC24_63_c_2c_c_2c:F-Li-Mn-O +mp-756688,Li2MnO2F,-6.5492904329,-2.418504197,0.0771480762,0.0771480762,GGA+U,Cmcm,AB2CD2_oC24_63_c_2c_a_bc:F-Li-Mn-O,24.0,AB2CD2_oC24_63_c_2c_a_bc:F-Li-Mn-O +mp-1643079,Li2MnO2F,-6.5899560929,-2.459169857,0.0364824162,0.0364824162,GGA+U,Immm,AB2CD2_oI12_71_a_f_c_e:F-Li-Mn-O,24.0,AB2CD2_oI12_71_a_f_c_e:F-Li-Mn-O +mp-753685,Li2MnO2F,-6.5551588875,-2.4243726516,0.0712796217,0.0712796217,GGA+U,P-3m1,AB2CD2_hP12_164_d_abd_d_cd:F-Li-Mn-O,12.0,"Invalid WP multiplicities - AB2CD2_hP12_164_d_ab2d_d_c2d:F-Li-Mn-O, expected Li3MnO3F to be Li2MnO2F" +mp-766227,Li7Mn(O2F)2,-5.4158607189,-2.1205615662,0.2850052129,0.2850052129,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O +mp-766052,Li7Mn(O2F)2,-5.6254084279,-2.3301092751,0.0754575039,0.0754575039,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O +mp-802479,Li7Mn(O2F)2,-4.3384990971,-1.0431999444,1.3623668346,1.3623668346,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O +mp-1376868,Li7Mn(O2F)2,-5.0314216261,-1.7361224733,0.6694443057,0.6694443057,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Mn-O +mp-753558,Li5MnO3F2,-5.842212857,-2.4449716121,0.0542891943,0.0542891943,GGA+U,C2/m,A2B5CD3_mC22_12_i_c2i_a_bi:F-Li-Mn-O,44.0,A2B5CD3_mC22_12_i_c2i_b_ai:F-Li-Mn-O +mp-753502,Li4Mn3OF11,-6.0442416016,-2.8287313544,0.0730671343,0.0730671343,GGA+U,P1,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O,19.0,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O +mp-753457,Li4Mn3OF11,-6.0427630142,-2.827252767,0.0745457216,0.0745457216,GGA+U,P1,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O,19.0,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O +mp-753461,Li4Mn3OF11,-6.0598328489,-2.8443226018,0.0574758869,0.0574758869,GGA+U,P1,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O,19.0,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O +mp-861557,Li4Mn3OF11,-6.0728663089,-2.8573560618,0.0444424269,0.0444424269,GGA+U,P1,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O,19.0,A11B4C3D_aP19_1_11a_4a_3a_a:F-Li-Mn-O +mp-752597,Li2Mn2OF6,-6.2808834305,-2.7756617183000003,0.0560057697,0.0560057697,GGA+U,P1,A6B2C2D_aP22_1_12a_4a_4a_2a:F-Li-Mn-O,22.0,A6B2C2D_aP22_1_12a_4a_4a_2a:F-Li-Mn-O +mp-752982,Li2Mn2OF6,-6.2557071491,-2.7504854369,0.081182051,0.081182051,GGA+U,P-1,A6B2C2D_aP22_2_6i_2i_2i_i:F-Li-Mn-O,22.0,"Invalid WP multiplicities - A6B2C2D_aP22_2_11i_3i_3i_i:F-Li-Mn-O, expected Li3Mn3OF11 to be Li2Mn2OF6" +mp-753723,Li2Mn2OF6,-6.3176212377,-2.8123995256,0.0192679624,0.0192679624,GGA+U,P-1,A6B2C2D_aP22_2_6i_2i_2i_i:F-Li-Mn-O,22.0,"Invalid WP multiplicities - A6B2C2D_aP22_2_11i_3i_3i_i:F-Li-Mn-O, expected Li3Mn3OF11 to be Li2Mn2OF6" +mp-753742,Li2Mn2OF6,-6.2768213968,-2.7715996847,0.0600678033,0.0600678033,GGA+U,Cc,A6B2C2D_mC44_9_6a_2a_2a_a:F-Li-Mn-O,22.0,"Invalid WP multiplicities - A6B2C2D_mC44_9_12a_2a_4a_a:F-Li-Mn-O, expected Li2Mn4OF12 to be Li2Mn2OF6" +mp-753441,Li2Mn2OF6,-6.2544075223,-2.7491858101,0.0824816778,0.0824816778,GGA+U,C2/c,A6B2C2D_mC44_15_3f_f_f_e:F-Li-Mn-O,22.0,"Invalid WP multiplicities - A6B2C2D_mC44_15_8f_f_f_e:F-Li-Mn-O, expected Li2Mn2OF16 to be Li2Mn2OF6" +mp-766808,Li4Mn8O13F3,-7.6256177864,-2.2337176453,0.0412019782,0.0412019782,GGA+U,P1,A3B4C8D13_aP28_1_3a_4a_8a_13a:F-Li-Mn-O,28.0,A3B4C8D13_aP28_1_3a_4a_8a_13a:F-Li-Mn-O +mp-753840,Li4Mn8O13F3,-7.6090427071,-2.217142566,0.0577770575,0.0577770575,GGA+U,Cm,A3B4C8D13_mC56_8_3a_4a_4a2b_5a4b:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B4C8D13_mC56_8_3a_4a_4a3b_5a7b:F-Li-Mn-O, expected Li4Mn10O19F3 to be Li4Mn8O13F3" +mp-768334,LiMn2OF5,-6.5307211936,-2.6710504159,0.0809806574,0.0809806574,GGA+U,Pc,A5BC2D_mP36_7_10a_2a_4a_2a:F-Li-Mn-O,36.0,"Invalid WP multiplicities - A5BC2D_mP36_7_18a_4a_8a_3a:F-Li-Mn-O, expected Li4Mn8(OF6)3 to be LiMn2OF5" +mp-761120,LiMn2OF5,-6.5698845739,-2.7102137962,0.0418172771,0.0418172771,GGA+U,Cc,A5BC2D_mC72_9_10a_2a_4a_2a:F-Li-Mn-O,36.0,"Invalid WP multiplicities - A5BC2D_mC72_9_14a_2a_7a_2a:F-Li-Mn-O, expected Li2Mn7(OF7)2 to be LiMn2OF5" +mp-767727,LiMn2OF5,-6.5203287539,-2.6606579762,0.0913730971,0.0913730971,GGA+U,Pca2_1,A5BC2D_oP36_29_5a_a_2a_a:F-Li-Mn-O,36.0,"Invalid WP multiplicities - A5BC2D_oP36_29_8a_a_7a_a:F-Li-Mn-O, expected LiMn7OF8 to be LiMn2OF5" +mp-753411,LiMn5O7F,-8.1606819336,-2.1423034141,0.0550722398,0.0550722398,GGA+U,R3m,ABC5D7_hR42_160_a_a_2ab_a2b:F-Li-Mn-O,14.0,"Invalid WP multiplicities - ABC5D7_hR42_160_a_a_2ab_a4b:F-Li-Mn-O, expected LiMn5O13F to be LiMn5O7F" +mp-753146,Li4Mn3O6F,-7.0253982964,-2.2601591123,0.0439810682,0.0439810682,GGA+U,C2/m,AB4C3D6_mC28_12_a_2i_bi_3i:F-Li-Mn-O,28.0,"Invalid WP multiplicities - AB4C3D6_mC28_12_a_2i_2b2i_3i:F-Li-Mn-O, expected Li4Mn6O6F to be Li4Mn3O6F" +mp-1197533,LiMnH2OF4,-5.7596701458,-2.3764484981000003,0.0070990875,0.0070990875,GGA+U,Pnma,A4B2CDE_oP36_62_2d_d_c_a_c:F-H-Li-Mn-O,36.0,A4B2CDE_oP36_62_2d_d_c_a_c:F-H-Li-Mn-O +mp-759837,Li2Mn4O5F3,-7.4310493707,-2.3643502735,0.0905545598,0.0905545598,GGA+U,Cm,A3B2C4D5_mC28_8_3a_b_4a_a2b:F-Li-Mn-O,14.0,"Invalid WP multiplicities - A3B2C4D5_mC28_8_3a_b_4a_a3b:F-Li-Mn-O, expected Li2Mn4O7F3 to be Li2Mn4O5F3" +mp-754142,Li2Mn4O5F3,-7.4432530736,-2.3765539764,0.0783508569,0.0783508569,GGA+U,Cc,A3B2C4D5_mC56_9_3a_2a_4a_5a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D5_mC56_9_3a_4a_7a_7a:F-Li-Mn-O, expected Li4Mn7O7F3 to be Li2Mn4O5F3" +mp-766389,Li4MnOF5,-5.7075512412,-2.8619339405,0.091708808,0.091708808,GGA+U,Cm,A5B4CD_mC66_8_5a5b_4a4b_ab_ab:F-Li-Mn-O,33.0,"Invalid WP multiplicities - A5B4CD_mC66_8_5a10b_4a8b_a2b_ab:F-Li-Mn-O, expected Li20Mn5O3F25 to be Li4MnOF5" +mp-759491,Li4MnOF5,-5.7335647314,-2.8879474307,0.0656953178,0.0656953178,GGA+U,C2/m,A5B4CD_mC22_12_c2i_2i_b_a:F-Li-Mn-O,22.0,A5B4CD_mC22_12_c2i_2i_a_b:F-Li-Mn-O +mp-764671,LiMn7O7F,-8.4565509019,-2.0452177858,0.0828985394,0.0828985394,GGA+U,P3m1,ABC7D7_hP16_156_a_b_4a3b_3a4b:F-Li-Mn-O,16.0,ABC7D7_hP16_156_a_b_4a3b_3a4b:F-Li-Mn-O +mp-753956,Li4Mn7O9F7,-7.2103925859,-2.407787042,0.0722844147,0.0722844147,GGA+U,Cm,A7B4C7D9_mC54_8_a3b_4a_3a2b_7ab:F-Li-Mn-O,27.0,"Invalid WP multiplicities - A7B4C7D9_mC54_8_a6b_4a_3a3b_7ab:F-Li-Mn-O, expected Li4Mn9O9F13 to be Li4Mn7O9F7" +mp-753908,LiMn2O3F,-7.5292588579,-2.2457590647,0.0978559774,0.0978559774,GGA+U,P2_1,ABC2D3_mP28_4_2a_2a_4a_6a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_mP28_4_2a_3a_6a_10a:F-Li-Mn-O, expected Li3Mn6(O5F)2 to be LiMn2O3F" +mp-753245,LiMn2O3F,-7.543976458599999,-2.2604766654,0.0831383767,0.0831383767,GGA+U,Cm,ABC2D3_mC28_8_b_2a_2ab_4ab:F-Li-Mn-O,14.0,"Invalid WP multiplicities - ABC2D3_mC28_8_b_2a_2ab_4a2b:F-Li-Mn-O, expected LiMn2O4F to be LiMn2O3F" +mp-767636,LiMn2O3F,-7.5547335993,-2.2712338061,0.072381236,0.072381236,GGA+U,Cc,ABC2D3_mC56_9_2a_2a_4a_6a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_mC56_9_3a_4a_7a_12a:F-Li-Mn-O, expected Li4Mn7(O4F)3 to be LiMn2O3F" +mp-1275142,LiMn2O3F,-7.5958405175,-2.3123407243000003,0.0312743178,0.0312743178,GGA+U,C2/m,ABC2D3_mC28_12_i_i_ace_ij:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_mC28_12_i_i_ace_2i2j:F-Li-Mn-O, expected LiMn2O6F to be LiMn2O3F" +mp-1274983,LiMn2O3F,-7.5951181507,-2.3116183576,0.0319966846,0.0319966846,GGA+U,C2/c,ABC2D3_mC56_15_f_f_cef_3f:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_mC56_15_f_f_c2e2f_7f:F-Li-Mn-O, expected Li2Mn7(O7F)2 to be LiMn2O3F" +mp-756723,LiMn2O3F,-7.5408119007,-2.2573121076,0.0863029346,0.0863029346,GGA+U,Pna2_1,ABC2D3_oP28_33_a_a_2a_3a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_33_a_a_4a_9a:F-Li-Mn-O, expected LiMn4O9F to be LiMn2O3F" +mp-753642,LiMn2O3F,-7.5511713907,-2.2676715976,0.0759434446,0.0759434446,GGA+U,Imm2,ABC2D3_oI56_44_abc_2c_abce_abc2e:F-Li-Mn-O,28.0,ABC2D3_oI56_44_abc_2c_abce_abc2e:F-Li-Mn-O +mp-753835,LiMn2O3F,-7.6024818807,-2.3189820876,0.0246329546,0.0246329546,GGA+U,Pnma,ABC2D3_oP28_62_c_c_ac_cd:F-Li-Mn-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_2a2c_cd:F-Li-Mn-O, expected LiMn4O3F to be LiMn2O3F" +mp-759316,LiMn2O3F,-7.57925374,-2.2957539468,0.0478610953,0.0478610953,GGA+U,R-3m,ABC2D3_hR42_166_c_c_ad_h:F-Li-Mn-O,14.0,"Invalid WP multiplicities - ABC2D3_hR42_166_c_c_a2d_h:F-Li-Mn-O, expected Li2Mn7(O3F)2 to be LiMn2O3F" +mp-760393,Li4MnOF4,-5.7704361438,-2.8314050098,0.0973216972,0.0973216972,GGA+U,I4/m,A4B4CD_tI20_87_h_h_a_b:F-Li-Mn-O,40.0,A4B4CD_tI20_87_h_h_a_b:F-Li-Mn-O +mp-759120,LiMn2OF3,-7.0791190986,-2.6628220893,0.0795481929,0.0795481929,GGA+U,C2/m,A3BC2D_mC28_12_ij_ac_ei_i:F-Li-Mn-O,14.0,A3BC2D_mC28_12_ij_ad_ei_i:F-Li-Mn-O +mp-763454,LiMn2OF3,-7.0862289464,-2.6699319372,0.072438345,0.072438345,GGA+U,Imm2,A3BC2D_oI56_44_abc2e_2c_abce_abc:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_oI56_44_ab2c7e_2c_ab2c2e_abc:F-Li-Mn-O, expected Li2Mn7O2F17 to be LiMn2OF3" +mp-760089,LiMn2OF3,-7.0776845339,-2.6613875247000003,0.0809827575,0.0809827575,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_mP28_14_7e_e_ade_e:F-Li-Mn-O, expected LiMn2OF7 to be LiMn2OF3" +mp-763785,LiMn2OF3,-7.0712936157,-2.6549966065,0.0873736757,0.0873736757,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_mP28_14_7e_e_ade_e:F-Li-Mn-O, expected LiMn2OF7 to be LiMn2OF3" +mp-753996,LiMn2OF3,-7.0923475782,-2.676050569,0.0663197132,0.0663197132,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_oP28_62_cd_c_2a2c_c:F-Li-Mn-O, expected LiMn4OF3 to be LiMn2OF3" +mp-756757,LiMn2OF3,-7.1061004571,-2.6898034479,0.0525668343,0.0525668343,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Mn-O,28.0,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Mn-O +mp-764789,LiMn2OF3,-7.0717986018,-2.6555015926000003,0.0868686896,0.0868686896,GGA+U,P4_3,A3BC2D_tP28_78_3a_a_2a_a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_tP28_78_3a_a_4a_a:F-Li-Mn-O, expected LiMn4OF3 to be LiMn2OF3" +mp-753280,LiMn2OF3,-7.09803249,-2.6817354808,0.0606348014,0.0606348014,GGA+U,R3m,A3BC2D_hR42_160_2b_2a_ab_2a:F-Li-Mn-O,14.0,"Invalid WP multiplicities - A3BC2D_hR42_160_2b_2a_a2b_2a:F-Li-Mn-O, expected Li2Mn7(OF3)2 to be LiMn2OF3" +mp-759613,LiMn2OF3,-7.0973955321,-2.6810985229,0.0612717593,0.0612717593,GGA+U,P-3m1,A3BC2D_hP14_164_i_d_af_d:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A3BC2D_hP14_164_i_d_a2f_d:F-Li-Mn-O, expected Li2Mn7(OF3)2 to be LiMn2OF3" +mp-861572,LiMn2OF3,-7.0703632746,-2.6540662654,0.0883040168,0.0883040168,GGA+U,R-3m,A3BC2D_hR42_166_h_c_ad_c:F-Li-Mn-O,28.0,A3BC2D_hR42_166_h_c_ad_c:F-Li-Mn-O +mp-802235,Li3Mn5OF11,-5.530936228,-1.6554461073,1.273321285,1.273321285,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-754023,Li3Mn5OF11,-6.7420026925,-2.8665125718,0.0622548205,0.0622548205,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-799530,Li3Mn5OF11,-5.455393562,-1.5799034413,1.348863951,1.348863951,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-760153,Li3Mn5OF11,-6.750422013,-2.8749318923,0.0538354999999999,0.0538354999999999,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-1347196,Li3Mn5OF11,-6.25472492,-2.3792347993,0.549532593,0.549532593,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-1342258,Li3Mn5OF11,-6.2174730855,-2.3419829648,0.5867844275,0.5867844275,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Mn-O +mp-755504,Li3MnOF3,-5.9679618431,-2.7717231549,0.0976990794,0.0976990794,GGA+U,C2/m,A3B3CD_mC32_12_3i_ac2i_i_i:F-Li-Mn-O,16.0,"Invalid WP multiplicities - A3B3CD_mC32_12_6i_ad3i_i_i:F-Li-Mn-O, expected Li4MnOF6 to be Li3MnOF3" +mp-753834,Li2Mn4O7F,-7.634286925,-2.1339864359,0.0722377691,0.0722377691,GGA+U,Cm,AB2C4D7_mC28_8_a_2a_2ab_3a2b:F-Li-Mn-O,14.0,AB2C4D7_mC28_8_a_2a_2ab_3a2b:F-Li-Mn-O +mp-759751,LiMn3OF8,-6.4920214898,-2.6740607826,0.082456457,0.082456457,GGA+U,Pc,A8BC3D_mP52_7_16a_2a_6a_2a:F-Li-Mn-O,52.0,"Invalid WP multiplicities - A8BC3D_mP52_7_31a_2a_11a_4a:F-Li-Mn-O, expected Li2Mn11O4F31 to be LiMn3OF8" +mp-759841,Li2Mn4OF8,-6.8328461765,-2.785884353,0.1033467242,0.1033467242,GGA+U,P1,A8B2C4D_aP60_1_32a_8a_16a_4a:F-Li-Mn-O,60.0,A8B2C4D_aP60_1_32a_8a_16a_4a:F-Li-Mn-O +mp-764374,Li2Mn4OF8,-6.8567485653,-2.8097867418,0.0794443353,0.0794443353,GGA+U,P-1,A8B2C4D_aP30_2_8i_2i_4i_i:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A8B2C4D_aP30_2_15i_3i_7i_i:F-Li-Mn-O, expected Li3Mn7OF15 to be Li2Mn4OF8" +mp-761138,Li2Mn4OF8,-6.863574809,-2.8166129855,0.0726180917,0.0726180917,GGA+U,Cc,A8B2C4D_mC60_9_8a_2a_4a_a:F-Li-Mn-O,30.0,"Invalid WP multiplicities - A8B2C4D_mC60_9_15a_4a_5a_a:F-Li-Mn-O, expected Li4Mn5OF15 to be Li2Mn4OF8" +mp-759945,Li2Mn4OF8,-6.8456917112,-2.7987298876,0.0905011895,0.0905011895,GGA+U,P2_12_12,A8B2C4D_oP60_18_ab7c_2c_4c_c:F-Li-Mn-O,60.0,"Invalid WP multiplicities - A8B2C4D_oP60_18_ab14c_2c_6c_c:F-Li-Mn-O, expected Li2Mn6OF15 to be Li2Mn4OF8" +mp-753419,Li3Mn3O5F3,-6.9424952221,-2.3938741554,0.06963428,0.06963428,GGA+U,P1,A3B3C3D5_aP14_1_3a_3a_3a_5a:F-Li-Mn-O,14.0,A3B3C3D5_aP14_1_3a_3a_3a_5a:F-Li-Mn-O +mp-1410976,Li3Mn3O5F3,-3.7905233536,0.7580977132000001,3.2216061485,3.2216061485,GGA+U,P1,A3B3C3D5_aP14_1_3a_3a_3a_5a:F-Li-Mn-O,14.0,A3B3C3D5_aP14_1_3a_3a_3a_5a:F-Li-Mn-O +mp-753452,Li6Mn(OF)3,-5.6822878056,-2.5138219957,0.0880055479,0.0880055479,GGA+U,P1,A3B6CD3_aP26_1_6a_12a_2a_6a:F-Li-Mn-O,52.0,"Invalid WP multiplicities - A3B6CD3_aP26_1_6a_12a_4a_6a:F-Li-Mn-O, expected Li6Mn2(OF)3 to be Li6Mn(OF)3" +mp-766020,Li6Mn(OF)3,-5.6800658758,-2.5116000659,0.0902274777,0.0902274777,GGA+U,P1,A3B6CD3_aP26_1_6a_12a_2a_6a:F-Li-Mn-O,52.0,"Invalid WP multiplicities - A3B6CD3_aP26_1_6a_12a_4a_6a:F-Li-Mn-O, expected Li6Mn2(OF)3 to be Li6Mn(OF)3" +mp-1235100,LiMn6O5F7,-7.4511590642,-2.4514321722,0.1033213637,0.1033213637,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O +mp-1235113,LiMn6O5F7,-7.44905012,-2.449323228,0.1054303079,0.1054303079,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O +mp-1235315,LiMn6O5F7,-7.4644180179,-2.4646911259,0.09006241,0.09006241,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O +mp-1235585,LiMn6O5F7,-7.4475062437,-2.4477793517,0.1069741842,0.1069741842,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Li-Mn-O +mp-1235060,LiMn6O5F7,-7.3993609437,-2.3996340517,0.1551194842,0.1551194842,GGA+U,C2,A7BC6D5_mC38_5_a3c_b_ab2c_a2c:F-Li-Mn-O,19.0,"Invalid WP multiplicities - A7BC6D5_mC38_5_a4c_b_ab3c_a3c:F-Li-Mn-O, expected LiMn8O7F9 to be LiMn6O5F7" +mp-1235234,LiMn6O5F7,-7.4130099184,-2.4132830264000003,0.1414705094,0.1414705094,GGA+U,C2,A7BC6D5_mC38_5_a3c_b_ab2c_a2c:F-Li-Mn-O,19.0,"Invalid WP multiplicities - A7BC6D5_mC38_5_a4c_b_ab3c_a3c:F-Li-Mn-O, expected LiMn8O7F9 to be LiMn6O5F7" +mp-763434,Li5MnO3F,-5.7410950775,-2.1952776048,0.0741674968,0.0741674968,GGA+U,P1,AB5CD3_aP20_1_2a_10a_2a_6a:F-Li-Mn-O,20.0,AB5CD3_aP20_1_2a_10a_2a_6a:F-Li-Mn-O +mp-1291341,Li5MnO3F,-5.736374114,-2.1905566413,0.0788884603,0.0788884603,GGA+U,P-1,AB5CD3_aP40_2_2i_10i_2i_6i:F-Li-Mn-O,40.0,"Invalid WP multiplicities - AB5CD3_aP40_2_4i_20i_2i_11i:F-Li-Mn-O, expected Li20Mn2O11F4 to be Li5MnO3F" +mp-1318721,Li5MnO3F,-5.7417942805,-2.1959768078,0.0734682938,0.0734682938,GGA+U,P2_1,AB5CD3_mP20_4_a_5a_a_3a:F-Li-Mn-O,40.0,"Invalid WP multiplicities - AB5CD3_mP20_4_a_10a_a_5a:F-Li-Mn-O, expected Li10MnO5F to be Li5MnO3F" +mp-1308806,Li5MnO3F,-5.7355768065,-2.1897593338,0.0796857678,0.0796857678,GGA+U,Cm,AB5CD3_mC40_8_b_2a4b_2a_3b:F-Li-Mn-O,20.0,"Invalid WP multiplicities - AB5CD3_mC40_8_b_2a5b_2a_3b:F-Li-Mn-O, expected Li6MnO3F to be Li5MnO3F" +mp-1302599,Li5MnO3F,-5.736845123,-2.1910276503,0.0784174513,0.0784174513,GGA+U,P2_1/m,AB5CD3_mP40_11_f_2e4f_2e_3f:F-Li-Mn-O,40.0,"Invalid WP multiplicities - AB5CD3_mP40_11_f_3e14f_2e_9f:F-Li-Mn-O, expected Li31Mn2(O9F)2 to be Li5MnO3F" +mp-759969,Li5MnO3F,-5.7422914948,-2.1964740221,0.0729710796,0.0729710796,GGA+U,C2/m,AB5CD3_mC40_12_g_i2j_i_hj:F-Li-Mn-O,40.0,AB5CD3_mC40_12_g_i2j_i_hj:F-Li-Mn-O +mp-759909,Li5MnO3F,-5.7235841287,-2.1777666561,0.0916784456,0.0916784456,GGA+U,Pnma,AB5CD3_oP40_62_c_c2d_c_cd:F-Li-Mn-O,40.0,"Invalid WP multiplicities - AB5CD3_oP40_62_c_2c12d_c_2c3d:F-Li-Mn-O, expected Li26MnO8F to be Li5MnO3F" +mp-753079,LiMn7(OF3)3,-7.535873959,-2.6315536214,0.05999588,0.05999588,GGA+U,P1,A9BC7D3_aP20_1_9a_a_7a_3a:F-Li-Mn-O,20.0,A9BC7D3_aP20_1_9a_a_7a_3a:F-Li-Mn-O +mp-759593,Li5Mn3O5F3,-6.6451378163,-2.4264790245,0.0884851481,0.0884851481,GGA+U,P1,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Mn-O,16.0,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Mn-O +mp-764336,Li4Mn3OF8,-6.3112564448,-2.8512403327,0.0923379208,0.0923379208,GGA+U,P1,A8B4C3D_aP48_1_24a_12a_9a_3a:F-Li-Mn-O,48.0,A8B4C3D_aP48_1_24a_12a_9a_3a:F-Li-Mn-O +mp-849279,Li4Mn3OF8,-6.3317792012,-2.8717630891,0.0718151644,0.0718151644,GGA+U,Cm,A8B4C3D_mC32_8_8a_4a_3a_a:F-Li-Mn-O,16.0,A8B4C3D_mC32_8_8a_4a_3a_a:F-Li-Mn-O +mp-759970,Li4Mn3OF8,-6.3124607758,-2.8524446636,0.0911335898,0.0911335898,GGA+U,Pmn2_1,A8B4C3D_oP64_31_2a7b_4b_2a2b_b:F-Li-Mn-O,64.0,"Invalid WP multiplicities - A8B4C3D_oP64_31_4a12b_6b_4a2b_b:F-Li-Mn-O, expected Li6Mn4OF14 to be Li4Mn3OF8" +mp-743588,Mn3H24(O3F2)4,-5.5433251023,-1.6377172889,0.0095235014,0.0095235014,GGA+U,P-1,A8B24C3D12_aP47_2_4i_12i_ai_6i:F-H-Mn-O,47.0,A8B24C3D12_aP47_2_4i_12i_ai_6i:F-H-Mn-O +mp-753922,LiMn3OF5,-7.128682768,-2.7387775388,0.071380908,0.071380908,GGA+U,P1,A5BC3D_aP20_1_10a_2a_6a_2a:F-Li-Mn-O,20.0,A5BC3D_aP20_1_10a_2a_6a_2a:F-Li-Mn-O +mp-761133,LiMn3OF5,-7.1287189543,-2.7388137251,0.0713447218,0.0713447218,GGA+U,Cc,A5BC3D_mC80_9_10a_2a_6a_2a:F-Li-Mn-O,40.0,"Invalid WP multiplicities - A5BC3D_mC80_9_16a_4a_10a_2a:F-Li-Mn-O, expected Li2Mn5OF8 to be LiMn3OF5" +mp-753323,Li4Mn2OF7,-6.0596059496,-2.8962656972,0.0605244976,0.0605244976,GGA+U,P1,A7B4C2D_aP14_1_7a_4a_2a_a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A7B4C2D_aP14_1_7a_4a_4a_a:F-Li-Mn-O, expected Li4Mn4OF7 to be Li4Mn2OF7" +mp-758528,Li3Mn5O2F9,-6.8564533474000005,-2.7178463374,0.1047886963,0.1047886963,GGA+U,P1,A9B3C5D2_aP38_1_18a_6a_10a_4a:F-Li-Mn-O,38.0,A9B3C5D2_aP38_1_18a_6a_10a_4a:F-Li-Mn-O +mp-753322,Li3Mn3O3F5,-6.7638846943,-2.6488650195,0.0635689933,0.0635689933,GGA+U,Cm,A5B3C3D3_mC28_8_a2b_3a_ab_3a:F-Li-Mn-O,28.0,"Invalid WP multiplicities - A5B3C3D3_mC28_8_a2b_3a_2a2b_3a:F-Li-Mn-O, expected Li3Mn6O3F5 to be Li3Mn3O3F5" +mp-752468,LiMn3O5F,-7.707688332,-2.1036992053,0.0788347649,0.0788347649,GGA+U,P1,ABC3D5_aP10_1_a_a_3a_5a:F-Li-Mn-O,10.0,ABC3D5_aP10_1_a_a_3a_5a:F-Li-Mn-O +mp-1399494,LiMn3O5F,-1.97901187,3.6249772567,5.8075112269,5.8075112269,GGA+U,P1,ABC3D5_aP10_1_a_a_3a_5a:F-Li-Mn-O,10.0,ABC3D5_aP10_1_a_a_3a_5a:F-Li-Mn-O +mp-758808,Li6MnO3F2,-5.5879803125,-2.3147655991,0.1040960853,0.1040960853,GGA+U,C2/c,A2B6CD3_mC48_15_f_3f_e_ef:F-Li-Mn-O,24.0,"Invalid WP multiplicities - A2B6CD3_mC48_15_f_4f_e_ef:F-Li-Mn-O, expected Li8MnO3F2 to be Li6MnO3F2" +mp-726340,CoAs3OF18,-4.6996216802,-2.0718398047,0.1748739178,0.1748739178,GGA+U,Pnma,A3BC18D_oP92_62_cd_a_4c7d_c:As-Co-F-O,92.0,A3BC18D_oP92_62_cd_a_4c7d_c:As-Co-F-O +mp-556515,AsSOF9,-4.7569534769,-2.1781561693,0.0439788599,0.0439788599,GGA,Pnma,AB9CD_oP48_62_c_3c3d_c_c:As-F-O-S,48.0,"Invalid WP multiplicities - AB9CD_oP48_62_c_12c22d_c_c:As-F-O-S, expected AsSOF56 to be AsSOF9" +mp-1198499,CoAs2S4(O2F3)4,-5.5379617932,-2.0015317424,0.0655719471,0.0655719471,GGA+U,P2_1/c,A2BC12D8E4_mP108_14_2e_e_12e_8e_4e:As-Co-F-O-S,108.0,A2BC12D8E4_mP108_14_2e_e_12e_8e_4e:As-Co-F-O-S +mp-13680,BaBOF3,-6.7191398463,-3.5058911255,0.0958347954,0.0958347954,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:B-Ba-F-O,24.0,ABC3D_oP24_62_c_c_cd_c:B-Ba-F-O +mp-560026,Mg5B3O9F,-7.2491897215,-3.111897892,0.0,-0.0027681397,GGA,Pnma,A3BC5D9_oP72_62_cd_c_c2d_c4d:B-F-Mg-O,72.0,"Invalid WP multiplicities - A3BC5D9_oP72_62_3c4d_c_4c10d_4c26d:B-F-Mg-O, expected Mg24B11O56F to be Mg5B3O9F" +mp-1195844,Ba3B6O11F2,-7.938715936799999,-3.2082700639,0.0,-0.005668282,GGA,P2_1,A6B3C2D11_mP44_4_6a_3a_2a_11a:B-Ba-F-O,44.0,A6B3C2D11_mP44_4_6a_3a_2a_11a:B-Ba-F-O +mp-1198065,BaMgBO3F,-7.1728120801,-3.3227846713,0.0,-0.007420615,GGA,Cc,ABCDE3_mC336_9_12a_12a_12a_12a_36a:B-Ba-F-Mg-O,168.0,ABCDE3_mC336_9_12a_12a_12a_12a_36a:B-Ba-F-Mg-O +mp-7995,Mg2BO3F,-7.0261867836,-3.2216872161,0.0020026117,0.0020026117,GGA,Pnma,ABC2D3_oP28_62_c_c_2c_3c:B-F-Mg-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_2c_5c:B-F-Mg-O, expected Mg2BO5F to be Mg2BO3F" +mp-554542,Mg3B(OF)3,-6.630388808,-3.4249153123,0.0,-0.0209101805,GGA,P6_3/m,AB3C3D3_hP20_176_c_h_h_h:B-F-Mg-O,20.0,AB3C3D3_hP20_176_c_h_h_h:B-F-Mg-O +mp-557176,Ba5B4(O5F)2,-7.5487978364,-3.2820222731,0.0062105531,0.0062105531,GGA,C2/c,A4B5C2D10_mC84_15_2f_e2f_f_5f:B-Ba-F-O,42.0,"Invalid WP multiplicities - A4B5C2D10_mC84_15_6f_2e6f_f_15f:B-Ba-F-O, expected Ba7B6O15F to be Ba5B4(O5F)2" +mp-561405,SnH8(CO)4,-5.8901857801,-0.7223741901,0.1855734882,0.1855734882,GGA,Pnma,A4B8C4D_oP68_62_2cd_2c3d_2d_c:C-H-O-Sn,68.0,"Invalid WP multiplicities - A4B8C4D_oP68_62_6c4d_8c17d_9d_c:C-H-O-Sn, expected SnH42(C7O9)2 to be SnH8(CO)4" +mp-698310,SnH2C4O3,-5.2556181905,0.9993570144,2.0164722807,2.0164722807,GGA,P2_1/c,A4B2C3D_mP40_14_4e_2e_3e_e:C-H-O-Sn,40.0,A4B2C3D_mP40_14_4e_2e_3e_e:C-H-O-Sn +mp-1049181,SnH2C4O3,-6.571318719,-0.3163435141,0.7007717522,0.7007717522,GGA,P2_1/c,A4B2C3D_mP40_14_4e_2e_3e_e:C-H-O-Sn,40.0,A4B2C3D_mP40_14_4e_2e_3e_e:C-H-O-Sn +mp-1205138,Si2Sn2H41C16O3,-5.2668592524,-0.2595114145,0.177157948,0.177157948,GGA,C2/c,A16B41C3D2E2_mC512_15_16f_41f_3f_2f_2f:C-H-O-Si-Sn,256.0,A16B41C3D2E2_mC512_15_16f_41f_3f_2f_2f:C-H-O-Si-Sn +mp-1199165,SiH12(CO)4,-5.4880473605,-0.5909308183,0.3633648667,0.3633648667,GGA,I4_1/a,A4B12C4D_tI84_88_f_3f_f_a:C-H-O-Si,42.0,A4B12C4D_tI84_88_f_3f_f_a:C-H-O-Si +mp-697873,SnHC2O3,-6.9778155429,-1.1635733973,0.2044022572,0.2044022572,GGA,C2/m,A2BC3D_mC56_12_2j_j_2i2j_gi:C-H-O-Sn,28.0,A2BC3D_mC56_12_2j_j_2i2j_gi:C-H-O-Sn +mp-698558,SiHC3O,-5.7974233025,1.1110315748,2.014997901,2.014997901,GGA,P2_1/c,A3BCD_mP72_14_9e_3e_3e_3e:C-H-O-Si,72.0,A3BCD_mP72_14_9e_3e_3e_3e:C-H-O-Si +mp-1522681,KNdV4O12,-8.1742586283,-2.5312344509,0.1037761517,0.1037761517,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-Nd-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-Nd-O-V, expected KNdV4O18 to be KNdV4O12" +mp-16799,K3NdV2O8,-7.40868398,-2.7057792583,0.0,-0.0312395877,GGA+U,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Nd-O-V,28.0,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Nd-O-V +mp-1211725,K2RbNdV2O8,-7.3876275843,-2.6939989251,0.0,-0.0050785206,GGA+U,P-3m1,A2BC8DE2_hP14_164_d_a_di_b_d:K-Nd-O-Rb-V,14.0,A2BC8DE2_hP14_164_d_a_di_b_d:K-Nd-O-Rb-V +mp-1076206,K2Na2NbW3O10,-7.7574466337,-2.0180893379,0.2573431935,0.2573431935,GGA+U,P1,A2B2CD10E3_aP144_1_16a_16a_8a_80a_24a:K-Na-Nb-O-W,144.0,A2B2CD10E3_aP144_1_16a_16a_8a_80a_24a:K-Na-Nb-O-W +mp-1223396,KNbWO6,-8.5840624711,-2.6007328617,0.0,-0.0125055305,GGA+U,Ima2,ABC6D_oI36_46_b_a_2b2c_b:K-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_46_b_a_4b6c_b:K-Nb-O-W, expected KNbWO16 to be KNbWO6" +mp-1223402,KNbWO6,-8.5745560372,-2.5912264278,0.0095064339,-0.0029990966,GGA+U,Ima2,ABC6D_oI36_46_b_a_2b2c_b:K-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_46_b_a_4b6c_b:K-Nb-O-W, expected KNbWO16 to be KNbWO6" +mp-1076208,K5Na3Nb4(WO5)4,-7.7909102853,-2.2161578987,0.2466957324,0.2466957324,GGA+U,P1,A5B3C4D20E4_aP144_1_20a_12a_16a_80a_16a:K-Na-Nb-O-W,144.0,A5B3C4D20E4_aP144_1_20a_12a_16a_80a_16a:K-Na-Nb-O-W +mp-1076894,K5Na3Nb7WO20,-7.7871430674,-2.4504594466,0.2341964316,0.2341964316,GGA+U,P1,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:K-Na-Nb-O-W,144.0,A5B3C7D20E_aP144_1_20a_12a_28a_80a_4a:K-Na-Nb-O-W +mp-1099943,K5Na3Nb4(WO6)4,-8.0079633338,-2.4960173146,0.0316395029,0.0316395029,GGA+U,Cm,A5B3C4D24E4_mC80_8_3ab_ab_2ab_4a10b_2ab:K-Na-Nb-O-W,40.0,"Invalid WP multiplicities - A5B3C4D24E4_mC80_8_3ab_ab_2ab_4a20b_2ab:K-Na-Nb-O-W, expected K5Na3Nb4(WO11)4 to be K5Na3Nb4(WO6)4" +mp-1076412,K5Na3Nb6(WO12)2,-8.0326799367,-2.6635751771,0.0267704807,0.0267704807,GGA+U,Amm2,A5B3C6D24E2_oC80_38_a2be_ad_cf_2a2bde4f_c:K-Na-Nb-O-W,40.0,"Invalid WP multiplicities - A5B3C6D24E2_oC80_38_a2be_ad_cf_2a2b2d2e8f_c:K-Na-Nb-O-W, expected K5Na3Nb6(WO22)2 to be K5Na3Nb6(WO12)2" +mp-1076751,K4Na4NbW7O24,-7.9949581768,-2.2634471097,0.0106034664,0.0106034664,GGA+U,P4mm,A4B4CD24E7_tP40_99_d_d_a_2a2b2c2e2f_a2b2c:K-Na-Nb-O-W,40.0,"Invalid WP multiplicities - A4B4CD24E7_tP40_99_d_d_a_2a2b4c8e8f_a2b4c:K-Na-Nb-O-W, expected K4Na4NbW11O76 to be K4Na4NbW7O24" +mp-1099913,K5Na3Nb6(WO10)2,-7.792803805,-2.3767639289,0.2569964434,0.2569964434,GGA+U,P1,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:K-Na-Nb-O-W,144.0,A5B3C6D20E2_aP144_1_20a_12a_24a_80a_8a:K-Na-Nb-O-W +mp-1076812,K2Na2Nb(WO4)3,-7.990249876,-2.3301594387,0.0288183891,0.0288183891,GGA+U,Pmm2,A2B2CD12E3_oP20_25_f_f_a_2a2b2c2d2e_a2c:K-Na-Nb-O-W,20.0,"Invalid WP multiplicities - A2B2CD12E3_oP20_25_f_f_a_2a2b2c2d4e_a2c:K-Na-Nb-O-W, expected K2Na2NbW3O16 to be K2Na2Nb(WO4)3" +mp-1099948,K4Na4NbW7O20,-7.733245059,-1.914531508,0.2679406058,0.2679406058,GGA+U,P1,A4B4CD20E7_aP144_1_16a_16a_4a_80a_28a:K-Na-Nb-O-W,144.0,A4B4CD20E7_aP144_1_16a_16a_4a_80a_28a:K-Na-Nb-O-W +mp-1223705,KNbW2O9,-8.7492585879,-2.4686306765,0.0062812514,0.0062812514,GGA+U,P1,ABC9D2_aP39_1_3a_3a_27a_6a:K-Nb-O-W,39.0,ABC9D2_aP39_1_3a_3a_27a_6a:K-Nb-O-W +mp-1076481,K5Na3Nb5(WO8)3,-8.0312660593,-2.5907406699,0.0182605678,0.0182605678,GGA+U,P1,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:K-Na-Nb-O-W,40.0,A5B3C5D24E3_aP40_1_5a_3a_5a_24a_3a:K-Na-Nb-O-W +mp-1099622,K5Na3Nb7WO24,-8.0515714192,-2.7538872894,0.0178027886,0.0178027886,GGA+U,Cm,A5B3C7D24E_mC80_8_3ab_ab_3a2b_4a10b_a:K-Na-Nb-O-W,40.0,"Invalid WP multiplicities - A5B3C7D24E_mC80_8_3ab_ab_3a4b_4a20b_a:K-Na-Nb-O-W, expected K5Na3Nb11WO44 to be K5Na3Nb7WO24" +mp-1223408,KNbWO7,-8.0035715515,-2.1239060319,0.2167535436,0.2167535436,GGA+U,Imma,ABC7D_oI40_74_a_c_3ej_b:K-Nb-O-W,20.0,"Invalid WP multiplicities - ABC7D_oI40_74_a_c_5e2j_b:K-Nb-O-W, expected KNbWO13 to be KNbWO7" +mp-1099687,K4Na4Nb3W5O24,-8.0130991495,-2.424429342,0.0182128618,0.0182128618,GGA+U,Pmm2,A4B4C3D24E5_oP40_25_i_i_a2b_2a2b2c2d2e2f2g2h_a2c2d:K-Na-Nb-O-W,40.0,"Invalid WP multiplicities - A4B4C3D24E5_oP40_25_i_i_a2b_2a2b2c2d4e4f4g4h_a2c2d:K-Na-Nb-O-W, expected K4Na4Nb3(WO8)5 to be K4Na4Nb3W5O24" +mp-1226183,CsP8(WO5)8,-8.4838469553,-2.4183309427,0.0409618402,0.0409618402,GGA+U,Pm,AB40C8D8_mP57_6_a_4a4b16c_4c_4c:Cs-O-P-W,57.0,"Invalid WP multiplicities - AB40C8D8_mP57_6_a_4a4b32c_8c_8c:Cs-O-P-W, expected CsP16(W2O9)8 to be CsP8(WO5)8" +mp-1201858,Cs2BiPWO8,-7.2434044112,-2.3529246957,0.0,-0.0203264227,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Bi-Cs-O-P-W,52.0,AB2C8DE_oI104_73_c_f_4f_c_d:Bi-Cs-O-P-W +mp-1198767,SrV2TeO8,-7.6065753551,-2.392065257,0.0,-0.008266712,GGA+U,P-1,A8BCD2_aP96_2_32i_4i_4i_8i:O-Sr-Te-V,96.0,A8BCD2_aP96_2_32i_4i_4i_8i:O-Sr-Te-V +mp-1195428,SrV2(H4O5)2,-6.4554306229,-1.8618115245,0.0163419439,0.0163419439,GGA+U,C2/c,A8B10CD2_mC168_15_8f_10f_f_2f:H-O-Sr-V,84.0,A8B10CD2_mC168_15_8f_10f_f_2f:H-O-Sr-V +mp-1200674,SrTe(HO2)2,-5.9069903128,-1.9813645276,0.0,-0.013091948,GGA,P2_1/c,A2B4CD_mP32_14_2e_4e_e_e:H-O-Sr-Te,32.0,A2B4CD_mP32_14_2e_4e_e_e:H-O-Sr-Te +mp-1199642,Sr2V4Te2H2O17,-7.3465676983,-2.2769238778,0.0,-0.0081932026,GGA+U,C2/c,A2B17C2D2E4_mC108_15_f_e8f_f_f_2f:H-O-Sr-Te-V,54.0,A2B17C2D2E4_mC108_15_f_e8f_f_f_2f:H-O-Sr-Te-V +mp-1192478,Sr2V3HO9,-7.95032009,-2.7140781191,0.0,-0.020500384,GGA+U,P2_1/m,AB9C2D3_mP30_11_e_5e2f_2e_a2e:H-O-Sr-V,30.0,AB9C2D3_mP30_11_e_5e2f_2e_a2e:H-O-Sr-V +mp-1218711,Sr5V3HO13,-7.6588329034,-2.9588845049,0.0,-0.0422189535,GGA+U,P6_3,AB13C5D3_hP44_173_a_a4c_2bc_c:H-O-Sr-V,44.0,AB13C5D3_hP44_173_a_a4c_2bc_c:H-O-Sr-V +mp-1222559,Li3Y4Ti4(S2O5)2,-8.15679973,-2.989307422,0.0882043535,0.0882043535,GGA,C2/m,A3B10C4D4E4_mC50_12_abc_2g2hi_j_j_j:Li-O-S-Ti-Y,25.0,"Invalid WP multiplicities - A3B10C4D4E4_mC50_12_abc_4g4hi_j_j_j:Li-O-S-Ti-Y, expected Li3Y4Ti4(S2O9)2 to be Li3Y4Ti4(S2O5)2" +mp-25305,Y2Ti2S2O5,-8.9086375891,-3.2967949027,0.0,-0.0304783041,GGA,I4/mmm,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Ti-Y,11.0,A5B2C2D2_tI22_139_ag_e_e_e:O-S-Ti-Y +mp-774552,Li11Y14Ti14(S2O5)7,-8.1239299464,-2.9749522375,0.0921463533,0.0921463533,GGA,P-1,A11B35C14D14E14_aP88_2_a5i_d17i_7i_7i_7i:Li-O-S-Ti-Y,88.0,"Invalid WP multiplicities - A11B35C14D14E14_aP88_2_a10i_d33i_13i_13i_14i:Li-O-S-Ti-Y, expected Li21Y28Ti26S26O67 to be Li11Y14Ti14(S2O5)7" +mp-774474,Li3Y14Ti14(S2O5)7,-8.6855235849,-3.2125403917,0.0174133656,0.0174133656,GGA,P-1,A3B35C14D14E14_aP80_2_ai_d17i_7i_7i_7i:Li-O-S-Ti-Y,80.0,"Invalid WP multiplicities - A3B35C14D14E14_aP80_2_ai_d33i_14i_14i_14i:Li-O-S-Ti-Y, expected Li3Y28Ti28S28O67 to be Li3Y14Ti14(S2O5)7" +mp-774554,Li2Y14Ti14(S2O5)7,-8.7597163003,-3.2416184195,0.0100516594,0.0100516594,GGA,P-1,A2B35C14D14E14_aP79_2_ab_d17i_7i_7i_7i:Li-O-S-Ti-Y,79.0,"Invalid WP multiplicities - A2B35C14D14E14_aP79_2_ab_d34i_14i_14i_11i:Li-O-S-Ti-Y, expected Li2Y22Ti28S28O69 to be Li2Y14Ti14(S2O5)7" +mp-774838,Li2Y14Ti14(S2O5)7,-8.7596988752,-3.2416009944,0.0100690845,0.0100690845,GGA,P-1,A2B35C14D14E14_aP79_2_ac_d17i_7i_7i_7i:Li-O-S-Ti-Y,79.0,"Invalid WP multiplicities - A2B35C14D14E14_aP79_2_ac_d34i_14i_13i_14i:Li-O-S-Ti-Y, expected Li2Y28Ti26S28O69 to be Li2Y14Ti14(S2O5)7" +mp-756557,LiY4Ti4(S2O5)2,-8.6499000522,-3.1990538797,0.0202440429,0.0202440429,GGA,C2/m,AB10C4D4E4_mC46_12_a_2g2hi_j_j_j:Li-O-S-Ti-Y,23.0,"Invalid WP multiplicities - AB10C4D4E4_mC46_12_a_4g4h2i_j_j_j:Li-O-S-Ti-Y, expected LiY4Ti4(SO5)4 to be LiY4Ti4(S2O5)2" +mp-1045465,Y(TiS2)2,-7.4045061164,-1.8611840287,0.0883637336,0.0883637336,GGA,Imma,A4B2C_oI28_74_hi_ac_b:S-Ti-Y,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_4h3i_2a2c_b:S-Ti-Y, expected Y(Ti2S7)2 to be Y(TiS2)2" +mp-1045414,Y(TiS2)2,-7.2222605921,-1.6789385044,0.2706092579,0.2706092579,GGA,I4_1/amd,A4B2C_tI28_141_h_c_b:S-Ti-Y,14.0,A4B2C_tI28_141_h_c_b:S-Ti-Y +mp-644527,LiY2Ti2S2O5,-8.4045999975,-3.1013339628,0.0469250614,0.0469250614,GGA,Immm,AB5C2D2E2_oI24_71_c_a2f_e_e_e:Li-O-S-Ti-Y,12.0,AB5C2D2E2_oI24_71_c_a2f_e_e_e:Li-O-S-Ti-Y +mp-1197678,VCu2HO5,-6.5397374281000005,-1.4943497601,0.035724294,0.035724294,GGA+U,P2_12_12_1,A2BC5D_oP72_19_4a_2a_10a_2a:Cu-H-O-V,72.0,A2BC5D_oP72_19_4a_2a_10a_2a:Cu-H-O-V +mp-765091,VCu2HO5,-6.5340310589,-1.488643391,0.0414306632,0.0414306632,GGA+U,Pnma,A2BC5D_oP72_62_2cd_2c_6c2d_2c:Cu-H-O-V,72.0,"Invalid WP multiplicities - A2BC5D_oP72_62_5c4d_5c_21c8d_5c:Cu-H-O-V, expected V5Cu13H5O37 to be VCu2HO5" +mp-1193540,V2CuH3O7,-6.9169519108,-1.7575659166,0.0249985489,0.0249985489,GGA+U,P-1,AB3C7D2_aP26_2_bd_3i_7i_2i:Cu-H-O-V,26.0,AB3C7D2_aP26_2_bd_3i_7i_2i:Cu-H-O-V +mp-1192628,Ba2V3HO9,-7.9849936627,-2.7181541602,0.0,-0.0196956627,GGA+U,P2_1/m,A2BC9D3_mP30_11_2e_e_5e2f_a2e:Ba-H-O-V,30.0,A2BC9D3_mP30_11_2e_e_5e2f_a2e:Ba-H-O-V +mp-1216869,V2Cu3H6O11,-6.2591436205,-1.475717973,0.0400454324,0.0400454324,GGA+U,C2,A3B6C11D2_mC44_5_ac_3c_b5c_c:Cu-H-O-V,22.0,"Invalid WP multiplicities - A3B6C11D2_mC44_5_ac_3c_b6c_c:Cu-H-O-V, expected V2Cu3H6O13 to be V2Cu3H6O11" +mp-1204591,V2Cu3H6O11,-6.2659810543,-1.4825554069,0.0332079985,0.0332079985,GGA+U,Cc,A3B6C11D2_mC88_9_3a_6a_11a_2a:Cu-H-O-V,44.0,A3B6C11D2_mC88_9_3a_6a_11a_2a:Cu-H-O-V +mp-721062,V2Cu3H6O11,-6.2697082736,-1.4862826262,0.0294807792,0.0294807792,GGA+U,C2/m,A3B6C11D2_mC44_12_ae_ij_d3ij_i:Cu-H-O-V,22.0,A3B6C11D2_mC44_12_ce_ij_a3ij_i:Cu-H-O-V +mp-1207920,V2Cu3H2O9,-6.202229635,-1.0915369699,0.5118674548000001,0.5118674548000001,GGA+U,C2/m,A3B2C9D2_mC32_12_ae_i_d2ij_i:Cu-H-O-V,16.0,A3B2C9D2_mC32_12_ce_i_a2ij_i:Cu-H-O-V +mp-1228550,Ba5V3HO13,-7.688059864099999,-2.9359565822,0.0,-0.025467634,GGA+U,P6_3,A5BC13D3_hP44_173_2bc_a_a4c_c:Ba-H-O-V,44.0,A5BC13D3_hP44_173_2bc_a_a4c_c:Ba-H-O-V +mp-697492,BaV2Cu3(HO5)2,-6.7608586494,-1.8365949665,0.0388329375,0.0388329375,GGA+U,C2/m,AB3C2D10E2_mC36_12_c_ae_i_3ij_i:Ba-Cu-H-O-V,18.0,AB3C2D10E2_mC36_12_a_ce_i_3ij_i:Ba-Cu-H-O-V +mp-556753,V2Cu5(HO3)4,-6.2575358735,-1.4055787341,0.0411324491,0.0411324491,GGA+U,P-1,A5B4C12D2_aP23_2_a2i_2i_6i_i:Cu-H-O-V,23.0,"Invalid WP multiplicities - A5B4C12D2_aP23_2_a3i_4i_11i_i:Cu-H-O-V, expected V2Cu7(H4O11)2 to be V2Cu5(HO3)4" +mp-1194836,BaC4(O2F3)2,-6.7671656208,-2.0945479168,0.1740112901,0.1740112901,GGA,R-3,AB4C6D4_hR270_148_f_4f_6f_4f:Ba-C-F-O,90.0,AB4C6D4_hR270_148_f_4f_6f_4f:Ba-C-F-O +mp-558539,Cs2Ba2(CO3)3,-7.3209742034,-2.4562898595,0.0,-0.0031183895,GGA,I2_13,A2B3C2D9_cI64_199_a_b_a_bc:Ba-C-Cs-O,32.0,"Invalid WP multiplicities - A2B3C2D9_cI64_199_a_b_a_4b4c:Ba-C-Cs-O, expected Cs2Ba2(CO12)3 to be Cs2Ba2(CO3)3" +mp-1181689,Cs3Ba4C3O9F5,-6.7510825115,-2.9125118201,0.0047119844,0.0047119844,GGA,P6_3mc,A4B3C3D5E9_hP48_186_bc_c_c_abc_cd:Ba-C-Cs-F-O,48.0,A4B3C3D5E9_hP48_186_bc_c_c_abc_cd:Ba-C-Cs-F-O +mp-1213690,CsC(OF)2,-5.9460242992,-1.9726237622,0.1099536932,0.1099536932,GGA,Pnma,ABC2D2_oP24_62_c_c_2c_d:C-Cs-F-O,24.0,ABC2D2_oP24_62_c_c_2c_d:C-Cs-F-O +mp-14734,CsCOF3,-5.7999871796,-2.3324549332,0.0,-0.0328099246,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:C-Cs-F-O,24.0,ABC3D_mP24_14_e_e_3e_e:C-Cs-F-O +mp-769018,LiFe2(SO4)3,-6.9562660642,-1.9219005407,0.012084818,0.012084818,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Fe-Li-O-S,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_7e_e_45e_9e:Fe-Li-O-S, expected LiFe7(SO5)9 to be LiFe2(SO4)3" +mp-768683,LiFe2(SO4)3,-6.9387243703,-1.9043588468,0.0296265119,0.0296265119,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Fe-Li-O-S,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_9f_e:Fe-Li-O-S, expected LiFe2(SO18)3 to be LiFe2(SO4)3" +mp-1178258,FeCSO7,-7.267978948,-1.6217831932,0.0892797187,0.0892797187,GGA+U,P2_1/m,ABC7D_mP20_11_e_e_5ef_e:C-Fe-O-S,20.0,"Invalid WP multiplicities - ABC7D_mP20_11_e_e_9e2f_e:C-Fe-O-S, expected FeCSO13 to be FeCSO7" +mp-648633,Fe3C10SO10,-7.7058239985,-0.5683216846,0.6938894103000001,0.6938894103000001,GGA+U,P2_1/c,A10B3C10D_mP96_14_10e_3e_10e_e:C-Fe-O-S,96.0,"Invalid WP multiplicities - A10B3C10D_mP96_14_38e_9e_38e_e:C-Fe-O-S, expected Fe9C38SO38 to be Fe3C10SO10" +mp-771011,Li2FeCSO7,-7.0515527246,-2.0282357845,0.0665781065,0.0665781065,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Fe-Li-O-S, expected Li2FeCSO13 to be Li2FeCSO7" +mp-1579553,Li2FeCSO7,-7.0519359502,-2.0286190101,0.0661948808,0.0661948808,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-S +mp-768831,Li2Fe2(SO4)3,-6.8792750132,-2.0094064716,0.0166102528,0.0166102528,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Fe-Li-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Fe-Li-O-S, expected Li2Fe2S5O42 to be Li2Fe2(SO4)3" +mp-777573,Li2Fe2(SO4)3,-6.8877716412000005,-2.0179030997,0.0081136247,0.0081136247,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Fe-Li-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Fe-Li-O-S, expected LiFe(SO7)3 to be Li2Fe2(SO4)3" +mp-1178011,Li2Fe2(SO4)3,-6.8741816236,-2.004313082,0.0217036424,0.0217036424,GGA+U,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Fe-Li-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_5c_5c_45c_9c:Fe-Li-O-S, expected Li5Fe5(SO5)9 to be Li2Fe2(SO4)3" +mp-652326,Fe3C9S2O9,-7.5828610417,-0.5715066418,0.6639961791,0.6639961791,GGA+U,P-1,A9B3C9D2_aP46_2_9i_3i_9i_2i:C-Fe-O-S,46.0,"Invalid WP multiplicities - A9B3C9D2_aP46_2_15i_5i_18i_2i:C-Fe-O-S, expected Fe5C15(SO9)2 to be Fe3C9S2O9" +mp-636215,FeC3SO3,-7.4635119709,-0.5719452599,0.6445372143,0.6445372143,GGA+U,P-1,A3BC3D_aP32_2_6i_2i_6i_2i:C-Fe-O-S,32.0,"Invalid WP multiplicities - A3BC3D_aP32_2_10i_2i_11i_2i:C-Fe-O-S, expected Fe2C10S2O11 to be FeC3SO3" +mp-770599,Li6Fe2C4SO16,-7.179587465,-2.0557353672,0.0503301103,0.0503301103,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Fe-Li-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:C-Fe-Li-O-S, expected Li6Fe2C4SO20 to be Li6Fe2C4SO16" +mp-647840,Fe2C8SO10,-7.6206526801,-0.7457620449,0.6497983683,0.6497983683,GGA+U,P2_1/c,A8B2C10D_mP84_14_8e_2e_10e_e:C-Fe-O-S,84.0,"Invalid WP multiplicities - A8B2C10D_mP84_14_31e_3e_36e_e:C-Fe-O-S, expected Fe3C31SO36 to be Fe2C8SO10" +mp-1193501,Li2Fe(SO4)2,-6.7271958123,-2.1014822456,0.0015654144,0.0015654144,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Fe-Li-O-S,26.0,AB2C8D2_mP26_14_a_e_4e_e:Fe-Li-O-S +mp-780594,Li2Fe(SO4)2,-6.7211895636,-2.0954759969,0.0075716632,0.0075716632,GGA+U,Pbca,AB2C8D2_oP104_61_c_2c_8c_2c:Fe-Li-O-S,104.0,"Invalid WP multiplicities - AB2C8D2_oP104_61_c_5c_29c_5c:Fe-Li-O-S, expected Li5FeS5O29 to be Li2Fe(SO4)2" +mp-781611,Li4Fe2C4SO16,-7.3115993413,-1.9496043375,0.0688385584,0.0688385584,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Fe-Li-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Fe-Li-O-S, expected Li10Fe2C4SO84 to be Li4Fe2C4SO16" +mp-770901,LiFeCSO7,-7.2027587673,-1.8963150932,0.0526039584,0.0526039584,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Fe-Li-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Fe-Li-O-S, expected LiFeCSO13 to be LiFeCSO7" +mp-654299,Fe3C9(SO5)2,-7.5068491031,-0.5815224403,0.7131475922,0.7131475922,GGA+U,P-1,A9B3C10D2_aP48_2_9i_3i_10i_2i:C-Fe-O-S,48.0,"Invalid WP multiplicities - A9B3C10D2_aP48_2_16i_5i_20i_3i:C-Fe-O-S, expected Fe5C16S3O20 to be Fe3C9(SO5)2" +mp-771819,LiFe(SO4)2,-6.8029559806,-1.9508431889,0.0205766673,0.0205766673,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Fe-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Fe-Li-O-S +mp-849740,LiFe(SO4)2,-6.7952835256,-1.9431707339,0.0282491223,0.0282491223,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Fe-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Fe-Li-O-S +mp-1222472,LiFe(SO4)2,-6.8005260308,-1.9484132391,0.023006617,0.023006617,GGA+U,P2_1,ABC8D2_mP24_4_a_a_8a_2a:Fe-Li-O-S,24.0,ABC8D2_mP24_4_a_a_8a_2a:Fe-Li-O-S +mp-780523,LiFe(SO4)2,-6.7964628484,-1.9443500567,0.0270697994,0.0270697994,GGA+U,Pc,ABC8D2_mP96_7_4a_4a_32a_8a:Fe-Li-O-S,96.0,ABC8D2_mP96_7_4a_4a_32a_8a:Fe-Li-O-S +mp-733612,RbH3(SO4)2,-5.9736232954,-1.7589717503000002,0.0,-0.0078576748,GGA,P2_1/c,A3B8CD2_mP56_14_3e_8e_e_2e:H-O-Rb-S,56.0,A3B8CD2_mP56_14_3e_8e_e_2e:H-O-Rb-S +mp-1219739,Rb3H(SO4)2,-5.9826387564,-2.1125860646,8.49154e-05,-0.0010261564,GGA,Cc,AB8C3D2_mC56_9_a_8a_3a_2a:H-O-Rb-S,28.0,"Invalid WP multiplicities - AB8C3D2_mC56_9_a_12a_4a_3a:H-O-Rb-S, expected Rb4H(SO4)3 to be Rb3H(SO4)2" +mp-1197110,Rb3H(SO4)2,-5.9717184334,-2.1016657415,0.0110052384,0.0098941666,GGA,C2/m,AB8C3D2_mC112_12_j_4i6j_g3ij_2ij:H-O-Rb-S,56.0,AB8C3D2_mC112_12_j_4i6j_g3ij_2ij:H-O-Rb-S +mp-23781,Rb3H(SO4)2,-5.9827236718000005,-2.1126709799,0.0,-0.0011110718,GGA,C2/c,AB8C3D2_mC56_15_a_4f_ef_f:H-O-Rb-S,28.0,AB8C3D2_mC56_15_c_4f_ef_f:H-O-Rb-S +mp-1220028,PrH3(SO4)3,-6.5855875755,-2.0209192584,0.0,-0.0003120596,GGA,P6_3,A3B12CD3_hP38_173_c_4c_b_c:H-O-Pr-S,38.0,A3B12CD3_hP38_173_c_4c_b_c:H-O-Pr-S +mp-707377,RbHSO4,-5.9716898387,-1.9293377203,0.0278601491,0.009262108,GGA,Pc,AB4CD_mP56_7_4a_16a_4a_4a:H-O-Rb-S,56.0,AB4CD_mP56_7_4a_16a_4a_4a:H-O-Rb-S +mp-1197989,RbHSO4,-5.9994967907,-1.9571446722,5.31971e-05,-0.018544844,GGA,Pc,AB4CD_mP56_7_4a_16a_4a_4a:H-O-Rb-S,56.0,AB4CD_mP56_7_4a_16a_4a_4a:H-O-Rb-S +mp-1195896,RbHSO4,-5.9995499879,-1.9571978694,0.0,-0.0185980411,GGA,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:H-O-Rb-S,56.0,AB4CD_mP56_14_2e_8e_2e_2e:H-O-Rb-S +mp-676290,RbHS,-3.5061775333,-0.6696075385,0.2646633033,0.1036850789,GGA,C2,ABC_mC6_5_a_a_b:H-Rb-S,3.0,ABC_mC6_5_a_a_b:H-Rb-S +mp-696804,RbHS,-3.7708408367,-0.9342708419,0.0,-0.1609782244,GGA,P2_1/m,ABC_mP6_11_e_e_e:H-Rb-S,6.0,ABC_mP6_11_e_e_e:H-Rb-S +mp-2420465,RbHS,-3.5377384867,-0.7011684919000001,0.23310235,0.0721241256,GGA,Amm2,ABC_oC6_38_a_a_b:H-Rb-S,3.0,ABC_oC6_38_a_a_b:H-Rb-S +mp-1203810,PrHSO5,-7.1508494263,-2.5204087734,0.0,-0.0115450236,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:H-O-Pr-S,32.0,AB5CD_mP32_14_e_5e_e_e:H-O-Pr-S +mp-1201349,Pr2H16S3O20,-6.1048637638,-1.8319722502,0.0046261101,0.0046261101,GGA,C2/c,A16B20C2D3_mC164_15_8f_10f_f_ef:H-O-Pr-S,82.0,A16B20C2D3_mC164_15_8f_10f_f_ef:H-O-Pr-S +mp-1195562,RbHS2O7,-6.1653040057,-1.8677602939,0.0,-0.0333836894,GGA,P2_1/c,AB7CD2_mP44_14_e_7e_e_2e:H-O-Rb-S,44.0,AB7CD2_mP44_14_e_7e_e_2e:H-O-Rb-S +mp-1210310,RbPr(SO6)2,-5.8561354391,-1.268972683,0.6182988767,0.6182988767,GGA,P2_1/c,A12BCD2_mP64_14_12e_e_e_2e:O-Pr-Rb-S,64.0,A12BCD2_mP64_14_12e_e_e_2e:O-Pr-Rb-S +mp-1202308,RbPrH8(SO6)2,-6.0878439431,-1.8988267574,0.0003812926,0.0003812926,GGA,P2_1/c,A8B12CDE2_mP96_14_8e_12e_e_e_2e:H-O-Pr-Rb-S,96.0,A8B12CDE2_mP96_14_8e_12e_e_e_2e:H-O-Pr-Rb-S +mp-1189251,RbHSO2,-5.2993129175,-1.6186954361,0.12282403,0.12282403,GGA,C2/m,AB2CD_mC40_12_2i_2ij_2i_2i:H-O-Rb-S,20.0,AB2CD_mC40_12_2i_2ij_2i_2i:H-O-Rb-S +mp-1212272,KAl2P2O11,-6.8325120552000005,-2.2174038399,0.3631870468,0.3631870468,GGA,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Al-K-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Al-K-O-P +mp-560580,K3Mo12PO40,-8.0812645896,-2.0676958553,0.0,-0.02120376,GGA+U,Pn-3m,A3B12C40D_cP112_224_d_k_e3k_a:K-Mo-O-P,112.0,"Invalid WP multiplicities - A3B12C40D_cP112_224_d_k_7e51k_a:K-Mo-O-P, expected K3Mo12PO640 to be K3Mo12PO40" +mp-1223988,KMo4(P2O7)4,-8.0433097034,-2.5236340118,0.00973071,0.00973071,GGA+U,I4_1,AB4C28D8_tI164_80_a_2b_14b_4b:K-Mo-O-P,82.0,AB4C28D8_tI164_80_a_2b_14b_4b:K-Mo-O-P +mp-541350,KMo(PO4)2,-7.7199088994,-2.5235619193,0.0,-0.0097277683,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:K-Mo-O-P,48.0,ABC8D2_mP48_14_e_e_8e_2e:K-Mo-O-P +mp-17306,KMo3(PO7)2,-7.9797198598,-2.2933400474,0.0,-0.0026970827,GGA+U,P2_1/m,AB3C14D2_mP40_11_e_3e_8e3f_2e:K-Mo-O-P,40.0,"Invalid WP multiplicities - AB3C14D2_mP40_11_e_3e_10e3f_2e:K-Mo-O-P, expected KMo3(PO8)2 to be KMo3(PO7)2" +mp-560629,K3Al2(PO4)3,-7.2630610632,-2.9419350354,0.0,-0.0156659072,GGA,Pna2_1,A2B3C12D3_oP80_33_2a_3a_12a_3a:Al-K-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_oP80_33_8a_10a_47a_11a:Al-K-O-P, expected K10Al8P11O47 to be K3Al2(PO4)3" +mp-1211413,KMo2(P2O7)2,-7.9727054624,-2.5580125504,0.0,-0.0016089501,GGA+U,P-1,AB2C14D4_aP21_2_a_be_7i_2i:K-Mo-O-P,21.0,AB2C14D4_aP21_2_a_be_7i_2i:K-Mo-O-P +mp-1197607,K3Al(PO4)2,-6.9480269408,-2.8425349855,0.0,-0.0151267174,GGA,P2_1/c,AB3C8D2_mP168_14_3e_9e_24e_6e:Al-K-O-P,168.0,AB3C8D2_mP168_14_3e_9e_24e_6e:Al-K-O-P +mp-542210,K2MoP2O9,-7.3935421077,-2.5068812921,0.0,-0.0150982316,GGA+U,C2/c,A2BC9D2_mC112_15_2f_f_9f_2f:K-Mo-O-P,56.0,A2BC9D2_mC112_15_2f_f_9f_2f:K-Mo-O-P +mp-17031,KAlP2O7,-7.5117044993,-2.9381226112,0.0,-0.0121960925,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Al-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Al-K-O-P +mp-1212433,KAl3(P2O9)4,-6.669411287,-1.7999458683,0.4130802537,0.4130802537,GGA,C2/c,A3BC36D8_mC192_15_ef_e_18f_4f:Al-K-O-P,96.0,A3BC36D8_mC192_15_ef_e_18f_4f:Al-K-O-P +mp-1223985,K2AlMo3(P2O7)4,-7.8869986019,-2.6413550776,0.0041796201,0.0041796201,GGA+U,P-1,AB2C3D28E8_aP42_2_b_ef_ci_14i_4i:Al-K-Mo-O-P,42.0,"Invalid WP multiplicities - AB2C3D28E8_aP42_2_b_ef_ci_28i_8i:Al-K-Mo-O-P, expected K2AlMo3(P2O7)8 to be K2AlMo3(P2O7)4" +mp-1361141,K2AlMo3(P2O7)4,-3.1452341107,2.1004094136,4.7459441112,4.7459441112,GGA+U,P-1,AB2C3D28E8_aP42_2_a_bd_fi_14i_4i:Al-K-Mo-O-P,42.0,"Invalid WP multiplicities - AB2C3D28E8_aP42_2_a_bd_fi_28i_8i:Al-K-Mo-O-P, expected K2AlMo3(P2O7)8 to be K2AlMo3(P2O7)4" +mp-17138,KMoPO6,-7.6087941933,-2.3810737676,0.0004232498,0.0004232498,GGA+U,Fddd,ABC6D_oF144_70_e_f_3h_g:K-Mo-O-P,36.0,"Invalid WP multiplicities - ABC6D_oF144_70_e_f_4h_g:K-Mo-O-P, expected KMoPO8 to be KMoPO6" +mp-818285,K3Mo4(P2O11)2,-7.5300222812,-2.1605023129,0.252055238,0.252055238,GGA+U,P2_1/c,A3B4C22D4_mP66_14_ae_2e_11e_2e:K-Mo-O-P,66.0,A3B4C22D4_mP66_14_ae_2e_11e_2e:K-Mo-O-P +mp-1224145,K2Mo2P2O11,-7.6864426972,-2.4421909942,0.0,-0.0133154022,GGA+U,P2_1,A2B2C11D2_mP68_4_4a_4a_22a_4a:K-Mo-O-P,68.0,A2B2C11D2_mP68_4_4a_4a_22a_4a:K-Mo-O-P +mp-561239,K2Mo2P2O11,-7.6239989866,-2.3797472836,0.0624437106,0.0491283084,GGA+U,Pbcn,A2B2C11D2_oP68_60_d_d_c5d_d:K-Mo-O-P,68.0,"Invalid WP multiplicities - A2B2C11D2_oP68_60_d_d_3c28d_d:K-Mo-O-P, expected K2Mo2P2O59 to be K2Mo2P2O11" +mp-1019802,KAl(PO3)4,-7.5698291992,-2.7993042359,0.001154181,0.001154181,GGA,C2/m,ABC12D4_mC72_12_e_i_gi5j_2j:Al-K-O-P,36.0,ABC12D4_mC72_12_e_i_hi5j_2j:Al-K-O-P +mp-1223883,KMo2P3O13,-7.9063682961,-2.4669704048,0.0002254208,-0.0047333764,GGA+U,P2_1/c,AB2C13D3_mP76_14_e_2e_13e_3e:K-Mo-O-P,76.0,AB2C13D3_mP76_14_e_2e_13e_3e:K-Mo-O-P +mp-558283,KMo2P3O13,-7.9065937168,-2.4671958256,0.0,-0.0049587972,GGA+U,C2/c,AB2C13D3_mC76_15_c_f_e6f_ef:K-Mo-O-P,38.0,"Invalid WP multiplicities - AB2C13D3_mC76_15_c_f_2e23f_2e2f:K-Mo-O-P, expected KMo2(PO8)6 to be KMo2P3O13" +mp-557607,AlMoP2O9,-8.0976201123,-2.7177717004,0.0,-0.0077983715,GGA+U,P4/ncc,ABC9D2_tP52_130_b_c_c2g_f:Al-Mo-O-P,52.0,"Invalid WP multiplicities - ABC9D2_tP52_130_b_c_4c19g_f:Al-Mo-O-P, expected AlMo(PO40)2 to be AlMoP2O9" +mp-818256,KMoPO7,-7.161894335,-1.9622770808,0.181070235,0.181070235,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:K-Mo-O-P,40.0,ABC7D_mP40_14_e_e_7e_e:K-Mo-O-P +mp-560013,KMo2(PO4)3,-7.9480530644,-2.481282441,0.0247948421,0.0247948421,GGA+U,Pnma,AB2C12D3_oP144_62_2c_2d_4c10d_3d:K-Mo-O-P,144.0,"Invalid WP multiplicities - AB2C12D3_oP144_62_4c_10d_14c76d_16d:K-Mo-O-P, expected K2Mo10P16O83 to be KMo2(PO4)3" +mp-1200491,KAlPO5,-7.0608428345,-2.6855027295,0.1344424478,0.1344424478,GGA,Pnna,ABC5D_oP64_52_ad_e_5e_cd:Al-K-O-P,64.0,ABC5D_oP64_52_ad_e_5e_cd:Al-K-O-P +mp-18497,KMoP2O7,-7.8199186943,-2.600875508,0.0,-0.0656492502,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:K-Mo-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_6e:K-Mo-O-P, expected KMo(P3O13)2 to be KMoP2O7" +mp-1044402,TiVZn(PO4)3,-7.9351215331,-2.7218263246000003,0.0428538931,0.0428538931,GGA+U,R3c,A12B3CDE_hR108_161_4b_b_a_a_a:O-P-Ti-V-Zn,36.0,"Invalid WP multiplicities - A12B3CDE_hR108_161_18b_b_a_a_a:O-P-Ti-V-Zn, expected TiVZn(PO18)3 to be TiVZn(PO4)3" +mp-1224886,FeP2W,-8.454918675,-0.3912295617,0.0924830994,0.0924830994,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Fe-P-W,8.0,AB2C_oP8_26_a_ab_b:Fe-P-W +mp-756346,FeP2WO8,-8.34566689,-2.3599780447,0.0492954319,0.0492954319,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-W,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-W +mp-758943,Ti3Fe2P6WO24,-8.4190669031,-2.7305948806,0.0350801523,0.0350801523,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Fe-O-P-Ti-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Fe-O-P-Ti-W, expected Ti3Fe2P6WO60 to be Ti3Fe2P6WO24" +mp-1216676,TiP2W,-8.73483317,-0.814776355,0.0,-0.0368602071,GGA,Imm2,A2BC_oI8_44_ab_a_b:P-Ti-W,4.0,A2BC_oI8_44_ab_a_b:P-Ti-W +mp-775004,Fe3P6WO24,-7.8390736668,-2.2635284324,0.035139647,0.035139647,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Fe-O-P-W,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Fe-O-P-W, expected Fe3P6WO60 to be Fe3P6WO24" +mp-850225,FeP6(WO8)3,-8.3214636047,-2.4819119574,0.0,-0.0124281657,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Fe-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Fe-O-P-W, expected FeP6(WO20)3 to be FeP6(WO8)3" +mp-1216739,TiP4W3,-9.12881301,-0.5759264183,0.0159629419,0.0159629419,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:P-Ti-W,8.0,A4BC3_mP8_6_2a2b_a_a2b:P-Ti-W +mp-1199047,Fe2P12W,-6.6725658895,-0.3487123742,0.0,-0.0251642489,GGA,Pbcn,A2B12C_oP60_60_d_6d_c:Fe-P-W,60.0,A2B12C_oP60_60_d_6d_c:Fe-P-W +mp-775198,Ti3P6WO24,-8.4049447803,-2.8800932982000003,0.0,-0.0083007593,GGA+U,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-Ti-W,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-Ti-W, expected Ti3P6WO60 to be Ti3P6WO24" +mp-770783,Fe7P12WO48,-7.6854885106,-2.1759448794,0.0657272519,0.0657272519,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-W,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-W +mp-1044343,TiP3WO12,-8.4395585174,-2.7658059114,0.0,-0.0090781262,GGA+U,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Ti-W,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Ti-W, expected TiP3WO54 to be TiP3WO12" +mp-771891,TiP6(WO8)3,-8.43540162,-2.6127478901,0.0246966222,0.0246966222,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Ti-W,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-Ti-W, expected TiP6(WO20)3 to be TiP6(WO8)3" +mp-780405,Fe5P6WO24,-8.0958428675,-2.3594934122,0.0164545916,0.0164545916,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-W,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-W, expected Fe5P6WO60 to be Fe5P6WO24" +mp-774165,VFe3(PO4)6,-7.6803384029,-2.2187409379,0.0687234594,0.0687234594,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Fe-O-P-V,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Fe-O-P-V, expected VFe3(PO10)6 to be VFe3(PO4)6" +mp-772911,V3Fe(PO4)6,-7.97260056,-2.4748922209,0.0181486044,0.0181486044,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Fe-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Fe-O-P-V, expected V3Fe(PO10)6 to be V3Fe(PO4)6" +mp-829947,V5Fe(PO4)6,-8.2716796031,-2.5747380567,0.0660711569,0.0660711569,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Fe-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Fe-O-P-V, expected V5Fe(PO10)6 to be V5Fe(PO4)6" +mp-776747,V3Fe2Te(PO4)6,-7.9748036206,-2.459931103,0.029585391,0.029585391,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Te-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Fe-O-P-Te-V, expected V3Fe2Te(PO10)6 to be V3Fe2Te(PO4)6" +mp-774620,VFe(PO4)2,-8.1554290483,-2.4925922164,0.0260260083,0.0260260083,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Fe-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Fe-O-P-V, expected VFe(PO5)3 to be VFe(PO4)2" +mp-772648,VFe(PO4)2,-8.1233049897,-2.4604681578,0.0581500669,0.0581500669,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Fe-O-P-V,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Fe-O-P-V, expected VFe(PO10)2 to be VFe(PO4)2" +mp-770962,VFe(PO4)2,-8.1664961292,-2.5036592972,0.0149589275,0.0149589275,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Fe-O-P-V,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Fe-O-P-V, expected VFe(PO10)2 to be VFe(PO4)2" +mp-1103605,VFeP,-8.47005498,-0.8143117178,0.0,-0.1800824836,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-P-V,12.0,ABC_oP12_62_c_c_c:Fe-P-V +mp-1216366,VFe3(PO4)4,-8.0391501513,-2.4018918551,0.0250831279,0.0250831279,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Fe-O-P-V,24.0,"Invalid WP multiplicities - A3B16C4D_mP24_6_a2b_4a4b8c_2a2b_a:Fe-O-P-V, expected VFe3(PO6)4 to be VFe3(PO4)4" +mp-767722,VFe(P2O7)2,-7.8998987243,-2.476859761,0.0106306695,0.0106306695,GGA+U,P1,AB14C4D_aP20_1_a_14a_4a_a:Fe-O-P-V,40.0,AB14C4D_aP20_1_a_14a_4a_a:Fe-O-P-V +mp-768349,V5Te(PO4)6,-8.0572295458,-2.5082523138,0.0942143505,0.0942143505,GGA+U,R3,A24B6CD5_hR108_146_8b_2b_a_5a:O-P-Te-V,36.0,"Invalid WP multiplicities - A24B6CD5_hR108_146_20b_2b_a_5a:O-P-Te-V, expected V5Te(PO10)6 to be V5Te(PO4)6" +mp-782634,VFe5(PO4)6,-7.9973811978,-2.3686490803,0.0277781556,0.0277781556,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Fe-O-P-V,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Fe-O-P-V, expected VFe5(PO10)6 to be VFe5(PO4)6" +mp-759460,V2Fe3Te(PO4)6,-7.8449173144,-2.3470971541,0.0832155087,0.0832155087,GGA+U,R3,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Te-V,36.0,"Invalid WP multiplicities - A3B24C6DE2_hR108_146_3a_20b_2b_a_2a:Fe-O-P-Te-V, expected V2Fe3Te(PO10)6 to be V2Fe3Te(PO4)6" +mp-780430,VFe2(PO4)3,-8.0390303428,-2.3932458681,0.0642768622,0.0642768622,GGA+U,R-3c,A2B12C3D_hR108_167_c_2f_e_b:Fe-O-P-V,36.0,"Invalid WP multiplicities - A2B12C3D_hR108_167_c_13f_e_b:Fe-O-P-V, expected VFe2(PO26)3 to be VFe2(PO4)3" +mp-1101268,VFe7(PO4)12,-7.6073483946,-2.1547786481,0.0812916422,0.0812916422,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-V,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Fe-O-P-V +mp-1101225,V2Fe(PO4)3,-8.2287173728,-2.5488281836,0.0308855356,0.0308855356,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Fe-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Fe-O-P-V, expected V2Fe(PO26)3 to be V2Fe(PO4)3" +mp-554759,SrBNO,-7.6539739796,-2.2409567645,0.0285967467,0.0285967467,GGA,P2_1/c,ABCD_mP48_14_3e_3e_3e_3e:B-N-O-Sr,48.0,"Invalid WP multiplicities - ABCD_mP48_14_10e_11e_8e_8e:B-N-O-Sr, expected Sr8B10N11O8 to be SrBNO" +mp-6032,SrSi2(BO4)2,-8.2447052765,-3.2083650654,0.0,-0.0161622181,GGA,Pnma,A2B8C2D_oP52_62_d_2c3d_d_c:B-O-Si-Sr,52.0,"Invalid WP multiplicities - A2B8C2D_oP52_62_d_2c4d_d_c:B-O-Si-Sr, expected SrSi2(BO5)2 to be SrSi2(BO4)2" +mp-1256705,Sr7SiB3NO13,-7.3999454488,-3.0026096213,0.1513097307,0.1513097307,GGA,P1,A3BC13DE7_aP50_1_6a_2a_26a_2a_14a:B-N-O-Si-Sr,50.0,A3BC13DE7_aP50_1_6a_2a_26a_2a_14a:B-N-O-Si-Sr +mp-720338,Sr7SiB3NO13,-7.3910546012,-2.9937187737,0.1602005783,0.1602005783,GGA,P6_3,A3BC13DE7_hP50_173_c_a_b4c_b_b2c:B-N-O-Si-Sr,50.0,"Invalid WP multiplicities - A3BC13DE7_hP50_173_c_a_2b19c_b_2b10c:B-N-O-Si-Sr, expected Sr32SiB3NO59 to be Sr7SiB3NO13" +mp-728690,Si8BNO18,-8.0733404343,-2.8069537293,0.2625164719,0.2625164719,GGA,P2_1/c,ABC18D8_mP112_14_e_e_18e_8e:B-N-O-Si,112.0,ABC18D8_mP112_14_e_e_18e_8e:B-N-O-Si +mp-1246177,Ba3NiN3,-5.684248525,-0.4633133429,0.1543686524,0.1543686524,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:Ba-N-Ni,14.0,A3B3C_hP14_176_h_h_c:Ba-N-Ni +mp-695895,K4Ba2N7O16,-6.1231561676,-1.0961896323,0.3974607678,0.3974607678,GGA,C2/m,A2B4C7D16_mC116_12_abcd_2j_g6i_8j:Ba-K-N-O,58.0,A2B4C7D16_mC116_12_abcd_2j_g6i_8j:Ba-K-N-O +mp-1245814,KNiN,-4.9190825633,0.1565942873,0.3423009782,0.3423009782,GGA,Cm,ABC_mC6_8_a_a_a:K-N-Ni,3.0,ABC_mC6_8_a_a_a:K-N-Ni +mp-1245791,KNiN,-5.1496447092,-0.0739678585,0.1117388324,0.1117388324,GGA,Pnma,ABC_oP12_62_c_c_c:K-N-Ni,12.0,ABC_oP12_62_c_c_c:K-N-Ni +mp-1246843,KNiN,-4.9138729233,0.1618039273,0.3475106182,0.3475106182,GGA,R3m,ABC_hR9_160_a_a_a:K-N-Ni,3.0,ABC_mC6_8_a_a_a:K-N-Ni +mp-1247556,KBaN,-3.8926763967,-0.1040534593,0.3220651918,0.3220651918,GGA,R3m,ABC_hR9_160_a_a_a:Ba-K-N,3.0,ABC_hR9_160_a_a_a:Ba-K-N +mp-22733,Ba2Ni(NO2)6,-5.2065395433,0.459999535,1.8575316221,1.8575316221,GGA+U,Fm-3m,A2B6CD12_cF84_225_c_e_a_h:Ba-N-Ni-O,21.0,A2B6CD12_cF84_225_c_e_a_h:Ba-N-Ni-O +mp-556059,K2Ni(NO3)4,-6.4949356953,-1.1945578632,0.0,-0.0109533592,GGA+U,Cc,A2B4CD12_mC76_9_2a_4a_a_12a:K-N-Ni-O,38.0,"Invalid WP multiplicities - A2B4CD12_mC76_9_2a_7a_a_23a:K-N-Ni-O, expected K2NiN7O23 to be K2Ni(NO3)4" +mp-560282,K2Ba(NO2)4,-6.5206133312,-1.3833291829,0.0605328705,0.0605328705,GGA,C2/m,AB2C4D8_mC120_12_abcd_2j_gh6i_8j:Ba-K-N-O,60.0,"Invalid WP multiplicities - AB2C4D8_mC120_12_abcd_5j_2g2h12i_27j:Ba-K-N-O, expected K5BaN8O27 to be K2Ba(NO2)4" +mp-28685,Ba8Ni6N7,-5.7376637912,-0.5763264543000001,0.0036146826,0.0036146826,GGA,C2/c,A8B7C6_mC84_15_2e3f_c2e2f_3f:Ba-N-Ni,42.0,"Invalid WP multiplicities - A8B7C6_mC84_15_2e3f_a2e2f_4f:Ba-N-Ni, expected Ba8Ni8N7 to be Ba8Ni6N7" +mp-1228421,Ba2Ni3N2,-5.91793859,-0.5106029086,0.0,-0.0057280343,GGA,Aea2,A2B2C3_oC28_41_b_b_ab:Ba-N-Ni,14.0,A2B2C3_oC28_41_b_b_ab:Ba-N-Ni +mp-21653,BaNiN,-5.9342228683,-0.5890206867000001,0.0,-0.0315941763,GGA,Pnma,ABC_oP36_62_cd_cd_ad:Ba-N-Ni,36.0,ABC_oP36_62_cd_cd_ad:Ba-N-Ni +mp-1223825,K3Ni(NO2)5,-6.3829678555000005,-1.1060891577,0.1491336464,0.1491336464,GGA+U,P2_1,A3B5CD10_mP38_4_3a_5a_a_10a:K-N-Ni-O,38.0,A3B5CD10_mP38_4_3a_5a_a_10a:K-N-Ni-O +mp-1247433,Ba3Ni3N5,-6.1943159582,-0.3052423686,0.2678906195,0.2678906195,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ni,22.0,A3B5C3_aP22_2_3i_5i_3i:Ba-N-Ni +mp-1223538,KBaN3,-4.250331078,1.3574406544,1.9205999379,1.9205999379,GGA,F222,ABC3_oF80_22_ace_bdj_fi2k:Ba-K-N,20.0,ABC3_oF80_22_ace_bdj_fi2k:Ba-K-N +mp-1245840,Ba2NiN2,-5.724983082,-0.4667677999999999,0.1423158027,0.1423158027,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ba-N-Ni,5.0,A2B2C_tI10_139_e_e_a:Ba-N-Ni +mp-1247460,Ba(NiN)2,-6.388550284,-0.358102654,0.093632615,0.093632615,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-N-Ni,10.0,AB2C2_tI20_140_a_h_h:Ba-N-Ni +mp-690607,K2BaNi(NO2)6,-6.5890548814,-1.166366536,0.165447655,0.165447655,GGA+U,P1,AB2C6DE12_aP22_1_a_2a_6a_a_12a:Ba-K-N-Ni-O,22.0,AB2C6DE12_aP22_1_a_2a_6a_a_12a:Ba-K-N-Ni-O +mp-699399,K2BaNi(NO2)6,-6.4322734132,-1.0095850678,0.3222291232,0.3222291232,GGA+U,Cm,AB2C6DE12_mC44_8_a_b_4ab_a_2a5b:Ba-K-N-Ni-O,22.0,"Invalid WP multiplicities - AB2C6DE12_mC44_8_a_b_4ab_a_2a6b:Ba-K-N-Ni-O, expected K2BaNi(N3O7)2 to be K2BaNi(NO2)6" +mp-558721,K4Ni(NO2)6,-6.3432876335,-1.1432456094,0.1247773903,0.1247773903,GGA+U,R-3,A4B6CD12_hR69_148_2c_f_a_2f:K-N-Ni-O,92.0,A4B6CD12_hR69_148_2c_f_a_2f:K-N-Ni-O +mp-1214464,CaNb(O6F)2,-5.38625762,-0.6806246581000001,0.7753592469,0.7753592469,GGA,Fd-3m,AB2CD12_cF128_227_a_c_b_g:Ca-F-Nb-O,32.0,AB2CD12_cF128_227_a_c_b_g:Ca-F-Nb-O +mp-1223310,KNbO2F,-7.405023406,-2.8017113306,0.1225805571,0.1225805571,GGA,P4/mmm,ABCD2_tP5_123_a_c_b_e:F-K-Nb-O,5.0,ABCD2_tP5_123_a_c_b_e:F-K-Nb-O +mp-1223692,K3Nb8(O5F2)2,-8.3436730668,-2.6934954611,0.0106747242,0.0106747242,GGA,P4mm,A4B3C8D10_tP25_99_2a2b_2ab_2a2b2c_ab4c:F-K-Nb-O,25.0,A4B3C8D10_tP25_99_2a2b_2ab_2a2b2c_ab4c:F-K-Nb-O +mp-1180911,K2NbO3F5,-5.9535614955,-2.6154193223,0.0466250832,0.0466250832,GGA,C2,A5B2CD3_mC44_5_5c_2ac_c_2b2c:F-K-Nb-O,22.0,A5B2CD3_mC44_5_5c_2ac_c_2b2c:F-K-Nb-O +mp-1227704,Ca3Nb4(O6F)2,-8.5613025219,-3.342005271,0.0372205417,0.0372205417,GGA,R-3m,A3B2C4D12_hR63_166_e_c_ad_2h:Ca-F-Nb-O,21.0,"Invalid WP multiplicities - A3B2C4D12_hR63_166_e_c_ad_9h:Ca-F-Nb-O, expected Ca3Nb4(O27F)2 to be Ca3Nb4(O6F)2" +mp-554801,Ca3Nb4(O6F)2,-8.5788146263,-3.3595173754,0.0197084373,0.0197084373,GGA,P4_332,A3B2C4D12_cP84_212_d_c_ad_2e:Ca-F-Nb-O,84.0,"Invalid WP multiplicities - A3B2C4D12_cP84_212_d_c_4a4d_26e:Ca-F-Nb-O, expected Ca3Nb16(O78F)2 to be Ca3Nb4(O6F)2" +mp-549490,KNb4O5F,-8.8078759109,-2.6114630354,0.0,-0.0251292819,GGA,P4/mmm,ABC4D5_tP11_123_c_a_eh_bi:F-K-Nb-O,11.0,"Invalid WP multiplicities - ABC4D5_tP11_123_c_a_eh_b2i:F-K-Nb-O, expected KNb4O9F to be KNb4O5F" +mp-1202095,K5Nb3O3F14,-6.3772922347,-3.2790249733,0.0,-0.0022953976,GGA,Pmn2_1,A14B5C3D3_oP100_31_2a13b_2a4b_2a2b_2a2b:F-K-Nb-O,100.0,A14B5C3D3_oP100_31_2a13b_2a4b_2a2b_2a2b:F-K-Nb-O +mp-1227502,Ca2NbO6F,-6.935116573,-2.3647049695,0.4269545135,0.4269545135,GGA,Imma,A2BCD6_oI40_74_ac_e_b_2ej:Ca-F-Nb-O,20.0,"Invalid WP multiplicities - A2BCD6_oI40_74_ac_e_b_4e4j:Ca-F-Nb-O, expected Ca2NbO20F to be Ca2NbO6F" +mp-1223800,K2NbO3F,-7.0381631043,-2.8847848135,0.0033121355,0.0033121355,GGA,I4mm,AB2CD3_tI14_107_a_2a_a_ab:F-K-Nb-O,7.0,AB2CD3_tI14_107_a_2a_a_ab:F-K-Nb-O +mp-682067,KCaNb2O6F,-8.1830060673,-3.1911678725,0.0094362398,0.0094362398,GGA,Imma,ABCD2E6_oI44_74_a_e_c_bd_2ej:Ca-F-K-Nb-O,22.0,"Invalid WP multiplicities - ABCD2E6_oI44_74_a_e_c_2b2d_3e4j:Ca-F-K-Nb-O, expected KCaNb4O19F to be KCaNb2O6F" +mp-6245,K5Nb4O12F,-7.7490977198,-2.8750541562,0.0,-0.0091554348,GGA,P2_1/c,AB5C4D12_mP44_14_a_b2e_2e_6e:F-K-Nb-O,44.0,"Invalid WP multiplicities - AB5C4D12_mP44_14_a_2d4e_2e_10e:F-K-Nb-O, expected K10Nb4O20F to be K5Nb4O12F" +mp-1224281,K5Nb16(O5F2)4,-8.4515488441,-2.7087226943,0.0180391081,0.0180391081,GGA,I4mm,A8B5C16D20_tI98_107_4a2b_a2b_4a2b2c_2ab4c:F-K-Nb-O,49.0,A8B5C16D20_tI98_107_4a2b_a2b_4a2b2c_2ab4c:F-K-Nb-O +mp-769122,Li4Sb2H6O3F10,-5.067288418,-2.259092177,0.078226511,0.078226511,GGA,P2_1/m,A10B6C4D3E2_mP50_11_5f_2e2f_2f_3e_f:F-H-Li-O-Sb,50.0,"Invalid WP multiplicities - A10B6C4D3E2_mP50_11_9f_3e4f_3f_5e_f:F-H-Li-O-Sb, expected Li6Sb2H11O5F18 to be Li4Sb2H6O3F10" +mp-1197451,NiP2H21C7Cl,-5.0547651338,-0.2327906417,0.0568902316,0.0568902316,GGA,P2_1/c,A7BC21DE2_mP256_14_14e_2e_42e_2e_4e:C-Cl-H-Ni-P,256.0,A7BC21DE2_mP256_14_14e_2e_42e_2e_4e:C-Cl-H-Ni-P +mp-1202609,PH11(C2Cl)2,-4.9663705698000005,-0.3360914425,0.0302910985,0.0302910985,GGA,Pbca,A4B2C11D_oP144_61_4c_2c_11c_c:C-Cl-H-P,144.0,A4B2C11D_oP144_61_4c_2c_11c_c:C-Cl-H-P +mp-1185531,LiNd6B3O13F2,-8.3432969092,-3.5958611510000003,0.0,-0.003031983,GGA,C2/c,A3B2CD6E13_mC100_15_ef_f_e_3f_e6f:B-F-Li-Nd-O,50.0,A3B2CD6E13_mC100_15_ef_f_e_3f_e6f:B-F-Li-Nd-O +mp-1188485,Li2BF5,-5.7040055412,-3.1971764985,0.0349704858,0.0349704858,GGA,I4_1/amd,AB5C2_tI32_141_b_ah_c:B-F-Li,16.0,AB5C2_tI32_141_b_ah_c:B-F-Li +mp-1196457,Li2B3O4F3,-7.1186052733,-3.0038375406,0.0,-0.0099954806,GGA,P2_12_12_1,A3B3C2D4_oP48_19_3a_3a_2a_4a:B-F-Li-O,48.0,A3B3C2D4_oP48_19_3a_3a_2a_4a:B-F-Li-O +mp-1200209,Li2B6O9F2,-7.7550693268,-2.9004718166,0.0,-0.0022177789,GGA,Cc,A6B2C2D9_mC76_9_6a_2a_2a_9a:B-F-Li-O,38.0,A6B2C2D9_mC76_9_6a_2a_2a_9a:B-F-Li-O +mp-1202742,Nd4B4O11F2,-8.4836668105,-3.5300148785000003,0.0195867414,0.0195867414,GGA,C2/c,A4B2C4D11_mC84_15_2f_f_2f_e5f:B-F-Nd-O,42.0,A4B2C4D11_mC84_15_2f_f_2f_e5f:B-F-Nd-O +mp-558105,LiB6O9F,-8.0666620451,-2.8656649357,0.0,-0.0100396472,GGA,Pna2_1,A6BCD9_oP68_33_6a_a_a_9a:B-F-Li-O,68.0,"Invalid WP multiplicities - A6BCD9_oP68_33_22a_a_a_28a:B-F-Li-O, expected LiB22O28F to be LiB6O9F" +mp-12403,LiBF4,-5.9599195311,-3.2542144465,0.0,-0.0853198333,GGA,P3_121,AB4C_hP18_152_a_2c_b:B-F-Li,18.0,AB4C_hP18_152_a_2c_b:B-F-Li +mp-1211425,KPr(WO4)2,-8.6029360708,-2.6545131665,0.0,-0.0232433809,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:K-O-Pr-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:K-O-Pr-W +mp-1523099,KBaPrWO6,-7.9228648963,-2.8780106823,0.0004384997,-0.0037575374,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-K-O-Pr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-K-O-Pr-W, expected K2BaPrWO12 to be KBaPrWO6" +mp-1523149,KBaPrWO6,-7.923303396,-2.8784491821,0.0,-0.0041960372,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-K-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-K-O-Pr-W +mp-1147522,K4Ca(WO4)3,-7.582124962,-2.3480324174,0.0608479797,0.0608479797,GGA+U,Im-3m,AB4C12D3_cI40_229_a_c_de_b:Ca-K-O-W,20.0,AB4C12D3_cI40_229_a_c_de_b:Ca-K-O-W +mp-1521279,KCaTbWO6,-7.908776769,-2.8699140266,0.109470618,0.109470618,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Tb-W +mp-1190561,KTb(WO4)2,-8.616688570400001,-2.680477304,0.0,-0.0235667895,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:K-O-Tb-W,24.0,AB8CD2_mC48_15_e_4f_e_f:K-O-Tb-W +mp-698101,U(HO)8,-6.3430675003,-1.7544364379,0.0006919374,0.0006919374,GGA,C2/c,A8B8C_mC68_15_4f_4f_a:H-O-U,34.0,A8B8C_mC68_15_4f_4f_a:H-O-U +mp-1211852,Rb2U2Cr3(H6O11)2,-6.8783184302,-1.9260527043,0.0176456114,0.0176456114,GGA+U,P2_1/c,A3B12C22D2E2_mP164_14_3e_12e_22e_2e_2e:Cr-H-O-Rb-U,164.0,A3B12C22D2E2_mP164_14_3e_12e_22e_2e_2e:Cr-H-O-Rb-U +mp-1208618,UCr(HO3)2,-7.2805019465,-1.5394977627,0.9049365743,0.9049365743,GGA+U,P2_1/c,AB2C6D_mP80_14_2e_4e_12e_2e:Cr-H-O-U,80.0,"Invalid WP multiplicities - AB2C6D_mP80_14_3e_7e_22e_4e:Cr-H-O-U, expected U4Cr3H7O22 to be UCr(HO3)2" +mp-673319,U(HO2)2,-6.8728050914,-1.4637169564,1.1503825004,1.1503825004,GGA,P1,A2B4C_aP7_1_2a_4a_a:H-O-U,7.0,A2B4C_aP7_1_2a_4a_a:H-O-U +mp-673954,U(HO2)2,-5.1752049757,0.2338831593,2.8479826161,2.8479826161,GGA,Cm,A2B4C_mC14_8_2a_2ab_a:H-O-U,7.0,A2B4C_mC14_8_2a_2ab_a:H-O-U +mp-626169,U(HO2)2,-7.9006618836,-2.4915737486,0.1225257082,0.1225257082,GGA,P2_1/c,A2B4C_mP14_14_e_2e_a:H-O-U,14.0,A2B4C_mP14_14_e_2e_a:H-O-U +mp-626885,U(HO2)2,-7.9459860686,-2.5368979336,0.0772015232,0.0772015232,GGA,Cmc2_1,A2B4C_oC28_36_2a_4a_a:H-O-U,14.0,"Invalid WP multiplicities - A2B4C_oC28_36_2a_8a_a:H-O-U, expected U(HO4)2 to be U(HO2)2" +mp-625281,U(HO2)2,-7.9048931014,-2.4958049664,0.1182944904,0.1182944904,GGA,Fmm2,A2B4C_oF28_42_c_cd_a:H-O-U,7.0,A2B4C_oF28_42_c_cd_a:H-O-U +mp-625087,U(HO2)2,-7.8960857943,-2.4869976593,0.1271017975,0.1271017975,GGA,Pbca,A2B4C_oP28_61_c_2c_a:H-O-U,28.0,A2B4C_oP28_61_c_2c_a:H-O-U +mp-510128,U(HO2)2,-7.9866353375,-2.5775472025,0.0365522543,0.0365522543,GGA,Pbca,A2B4C_oP28_61_c_2c_a:H-O-U,28.0,A2B4C_oP28_61_c_2c_a:H-O-U +mp-626864,U(HO2)2,-7.94900786,-2.539919725,0.0741797318,0.0741797318,GGA,Cmce,A2B4C_oC28_64_f_2f_a:H-O-U,14.0,A2B4C_oC28_64_f_2f_a:H-O-U +mp-1204339,UCr4(H3O4)6,-6.4099881222,-1.522898808,0.0515316537,0.0515316537,GGA+U,C2/c,A4B18C24D_mC188_15_2f_9f_12f_e:Cr-H-O-U,94.0,A4B18C24D_mC188_15_2f_9f_12f_e:Cr-H-O-U +mp-1200600,U(H2O3)2,-6.9687568816,-2.0103526582,0.0028162744,0.0028162744,GGA,Pnma,A4B6C_oP44_62_2d_2c2d_c:H-O-U,44.0,A4B6C_oP44_62_2d_2c2d_c:H-O-U +mp-1208178,UCr(HO2)3,-6.7139904559,-1.186466103,1.1996934895,1.1996934895,GGA+U,P2_1,AB3C6D_mP44_4_2a_6a_12a_2a:Cr-H-O-U,44.0,AB3C6D_mP44_4_2a_6a_12a_2a:Cr-H-O-U +mp-626114,U3(HO5)2,-9.083437186,-3.0749992372,0.0719183942,0.0719183942,GGA,P1,A2B10C3_aP15_1_2a_10a_3a:H-O-U,15.0,A2B10C3_aP15_1_2a_10a_3a:H-O-U +mp-626062,U3(HO5)2,-9.1184960467,-3.1100580978,0.0368595335,0.0368595335,GGA,P-1,A2B10C3_aP15_2_i_5i_ai:H-O-U,15.0,A2B10C3_aP15_2_i_5i_ai:H-O-U +mp-626104,U3(HO5)2,-9.048976372,-3.0405384232,0.1063792082,0.1063792082,GGA,P-1,A2B10C3_aP15_2_i_5i_ai:H-O-U,15.0,A2B10C3_aP15_2_i_5i_ai:H-O-U +mp-1211353,KSm(WO4)2,-8.603789,-2.6605593973,0.0023888662,-0.0189128379,GGA+U,C2/m,AB8CD2_mC48_12_i_2i3j_g_hi:K-O-Sm-W,24.0,AB8CD2_mC48_12_i_2i3j_g_hi:K-O-Sm-W +mp-1211333,KSm(WO4)2,-8.6061778663,-2.6629482636,0.0,-0.0213017042,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:K-O-Sm-W,24.0,AB8CD2_mC48_15_e_4f_e_f:K-O-Sm-W +mp-1211622,KSm(WO4)2,-8.5615382392,-2.6183086365,0.0446396271,0.0233379229,GGA+U,Pbcn,AB8CD2_oP48_60_c_4d_c_d:K-O-Sm-W,48.0,AB8CD2_oP48_60_c_4d_c_d:K-O-Sm-W +mp-1521200,KCaSmWO6,-7.862951833,-2.815667087,0.1373407062,0.1373407062,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Sm-W +mp-1517934,KEu(WO3)4,-9.0839923494,-2.275093116,0.0650423105,0.0650423105,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-K-O-W,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-K-O-W, expected KEu(W2O9)2 to be KEu(WO3)4" +mp-1522486,KEuSnWO6,-8.0445730215,-2.2430495116,0.1768959081,0.1768959081,GGA+U,P4_2/mmc,ABC6DE_tP20_131_c_e_iq_f_d:Eu-K-O-Sn-W,20.0,ABC6DE_tP20_131_c_e_iq_f_d:Eu-K-O-Sn-W +mp-1522535,KEuSnWO6,-8.034298426,-2.2327749161,0.1871705036,0.1871705036,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Sn-W +mp-640227,KEu(WO4)2,-8.8912464704,-2.486482229,0.0,-0.0038430763,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Eu-K-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_e_11f_f:Eu-K-O-W, expected KEu(WO11)2 to be KEu(WO4)2" +mp-27202,B9H8S,-5.2787993651,-0.2014224671,0.0193989781,0.0193989781,GGA,P2_1/c,A9B8C_mP72_14_9e_8e_e:B-H-S,72.0,A9B8C_mP72_14_9e_8e_e:B-H-S +mp-695929,Cs3B6H12S4Br,-4.6070030406,-0.7003069606,0.0,-0.0746506428,GGA,P6_3mc,A6BC3D12E4_hP52_186_2c_a_c_2cd_bc:B-Br-Cs-H-S,52.0,A6BC3D12E4_hP52_186_2c_a_c_2cd_bc:B-Br-Cs-H-S +mp-1183955,CsHS,-3.7421716258,-0.9339788645,0.0,-0.1442317542,GGA,I4/m,ABC_tI24_87_de_h_h:Cs-H-S,12.0,"Invalid WP multiplicities - ABC_tI24_87_2de_h_h:Cs-H-S, expected Cs3(HS)2 to be CsHS" +mp-1195933,B10H14S,-4.9579655336,-0.2208242454,0.0054070841,0.0020013823,GGA,P2_12_12_1,A10B14C_oP100_19_10a_14a_a:B-H-S,100.0,A10B14C_oP100_19_10a_14a_a:B-H-S +mp-1199941,B10H14S,-4.9633726177,-0.2262313295,0.0,-0.0034057018,GGA,P2_12_12_1,A10B14C_oP100_19_10a_14a_a:B-H-S,100.0,A10B14C_oP100_19_10a_14a_a:B-H-S +mp-1197387,B5H7S,-4.8649147283000005,-0.1508769563,0.1074980549,0.1074980549,GGA,P2_1/c,A5B7C_mP104_14_10e_14e_2e:B-H-S,104.0,A5B7C_mP104_14_10e_14e_2e:B-H-S +mp-1214733,AsH8NO4,-5.1897875668,-0.9094892429,0.2028436335,0.2028436335,GGA,I-42d,AB8CD4_tI56_122_a_2e_b_e:As-H-N-O,28.0,AB8CD4_tI56_122_a_2e_b_e:As-H-N-O +mp-1206514,Mg3AsN,-4.366332378,-0.807041682,0.0,-0.0462181721,GGA,Pm-3m,AB3C_cP5_221_a_c_b:As-Mg-N,5.0,AB3C_cP5_221_a_c_b:As-Mg-N +mp-707339,AsH6NO4,-5.5403435156,-1.1121164785,0.0825065195,0.0825065195,GGA,P2_12_12_1,AB6CD4_oP48_19_a_6a_a_4a:As-H-N-O,48.0,"Invalid WP multiplicities - AB6CD4_oP48_19_a_21a_a_13a:As-H-N-O, expected AsH21NO13 to be AsH6NO4" +mp-703470,AsH6NO4,-5.5855976104,-1.1573705733,0.0372524247,0.0372524247,GGA,I-42d,AB6CD4_tI48_122_a_de_b_e:As-H-N-O,24.0,AB6CD4_tI48_122_a_de_b_e:As-H-N-O +mp-1190812,AsH6NO4,-5.5620729512,-1.1338459142,0.0607770839,0.0607770839,GGA,I-42d,AB6CD4_tI48_122_a_de_b_e:As-H-N-O,24.0,AB6CD4_tI48_122_a_de_b_e:As-H-N-O +mp-864887,MgH4(NO4)2,-6.08425198,-1.323073062,0.0046585291,0.0046585291,GGA,P2_1/c,A4BC2D8_mP30_14_2e_a_e_4e:H-Mg-N-O,30.0,"Invalid WP multiplicities - A4BC2D8_mP30_14_5e_a_e_13e:H-Mg-N-O, expected MgH10(NO13)2 to be MgH4(NO4)2" +mp-1203108,AsH9(NO2)2,-5.4930302127,-1.0146928686,0.0,-0.0002215745,GGA,P2_1/c,AB9C2D4_mP64_14_e_9e_2e_4e:As-H-N-O,64.0,AB9C2D4_mP64_14_e_9e_2e_4e:As-H-N-O +mp-1234366,MgH32(N2O)4,-4.971741378,-0.6018252061,0.0938176074,0.0938176074,GGA,P1,A32BC8D4_aP45_1_32a_a_8a_4a:H-Mg-N-O,45.0,A32BC8D4_aP45_1_32a_a_8a_4a:H-Mg-N-O +mp-1185888,MgHN,-5.1905027075,-0.7473357008,0.0,-0.0045925856,GGA,P6/m,ABC_hP36_175_jk_jk_jk:H-Mg-N,36.0,ABC_hP36_175_jk_jk_jk:H-Mg-N +mp-1222268,MgAsH16NO10,-5.4561270298,-1.3752167811,0.0,-0.0028899913,GGA,Pc,AB16CDE10_mP58_7_a_16a_a_a_10a:As-H-Mg-N-O,58.0,"Invalid WP multiplicities - AB16CDE10_mP58_7_a_22a_a_a_13a:As-H-Mg-N-O, expected MgAsH22NO13 to be MgAsH16NO10" +mp-24383,Mg(H2N)2,-5.1827838941,-0.6336161684,0.0,-0.0717971845,GGA,I4_1/acd,A4BC2_tI224_142_4g_g_deg:H-Mg-N,112.0,"Invalid WP multiplicities - A4BC2_tI224_142_7g_g_deg:H-Mg-N, expected MgH7N2 to be Mg(H2N)2" +mp-1180728,MgAsNO10,-5.3190127708,-0.391106579,0.771439875,0.771439875,GGA,P1,ABCD10_aP26_1_2a_2a_2a_20a:As-Mg-N-O,26.0,ABCD10_aP26_1_2a_2a_2a_20a:As-Mg-N-O +mp-1193403,MgAsNO10,-5.4115371231000005,-0.4836309313,0.6789155227,0.6789155227,GGA,Pmn2_1,ABCD10_oP26_31_a_a_a_4a3b:As-Mg-N-O,26.0,ABCD10_oP26_31_a_a_a_4a3b:As-Mg-N-O +mp-720294,AsH18N3O7,-5.3486607299,-1.0257471793,0.0,-0.0091221043,GGA,P2_1/c,AB18C3D7_mP116_14_e_18e_3e_7e:As-H-N-O,116.0,AB18C3D7_mP116_14_e_18e_3e_7e:As-H-N-O +mp-734042,MgH12(NO6)2,-5.6926653763,-1.3094710439,0.0,-0.003060893,GGA,P2_1/c,A12BC2D12_mP54_14_6e_a_e_6e:H-Mg-N-O,54.0,A12BC2D12_mP54_14_6e_a_e_6e:H-Mg-N-O +mp-1190947,MgH12(NO)6,-5.8751057488,-0.9946219725,0.06833093,0.06833093,GGA,Fmmm,A12BC6D6_oF100_69_mp_a_cm_hn:H-Mg-N-O,25.0,A12BC6D6_oF100_69_mp_a_cm_hn:H-Mg-N-O +mp-8153,NaHgPO4,-5.9444631529,-2.1121398657,0.0,-0.0178317501,GGA,Cmcm,ABC4D_oC28_63_c_a_fg_c:Hg-Na-O-P,14.0,ABC4D_oC28_63_c_a_fg_c:Hg-Na-O-P +mp-1221547,Na2HgP6(NO9)2,-6.6541923005,-1.7872291059,0.4311152475,0.4311152475,GGA,C2/c,AB2C2D18E6_mC116_15_e_f_f_9f_3f:Hg-N-Na-O-P,58.0,AB2C2D18E6_mC116_15_e_f_f_9f_3f:Hg-N-Na-O-P +mp-1182073,Na4P2NO16,-5.5718938941000005,-1.0675364814,0.5428512251000001,0.5428512251000001,GGA,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:N-Na-O-P,46.0,AB4C16D2_mC92_15_e_2f_8f_f:N-Na-O-P +mp-1202690,Na4P2NO16,-5.119476788,-0.6151193753,0.9952683312,0.9952683312,GGA,C2/c,AB4C16D2_mC92_15_e_2f_8f_f:N-Na-O-P,46.0,AB4C16D2_mC92_15_e_2f_8f_f:N-Na-O-P +mp-29598,NaP4N7,-7.4465502929,-0.66895031,0.0,-0.0488121058,GGA,C2/c,A7BC4_mC48_15_e3f_e_2f:N-Na-P,24.0,"Invalid WP multiplicities - A7BC4_mC48_15_e4f_e_3f:N-Na-P, expected Na(P2N3)3 to be NaP4N7" +mp-1198983,Hg4PNO8,-4.9003572421,-1.004783772,0.2129439157,0.2129439157,GGA,P2_1/c,A4BC8D_mP56_14_4e_e_8e_e:Hg-N-O-P,56.0,A4BC8D_mP56_14_4e_e_8e_e:Hg-N-O-P +mp-1210367,Na3P3N3O7,-6.4526717178,-1.4624348957,0.6158033106,0.6158033106,GGA,C2,A3B3C7D3_mC64_5_3c_2a2c_2b6c_3c:N-Na-O-P,32.0,A3B3C7D3_mC64_5_3c_2a2c_2b6c_3c:N-Na-O-P +mp-1190961,NaPNO8,-5.4969234491,-0.5291205023000001,0.8771218107000001,0.8771218107000001,GGA,P-1,ABC8D_aP22_2_i_i_8i_i:N-Na-O-P,22.0,ABC8D_aP22_2_i_i_8i_i:N-Na-O-P +mp-1102530,NaPNO3,-6.1973199158,-1.2119217727,0.9895331246,0.9895331246,GGA,P6_3,ABC3D_hP12_173_b_a_c_b:N-Na-O-P,12.0,ABC3D_hP12_173_b_a_c_b:N-Na-O-P +mp-10572,NaPN2,-6.66586465,-0.8136602375,0.0,-0.2716148,GGA,I-42d,A2BC_tI16_122_d_a_b:N-Na-P,8.0,A2BC_tI16_122_d_a_b:N-Na-P +mp-28591,Na4HgP2,-2.6952650057,-0.3494954983,0.0,-0.0209543229,GGA,R-3m,AB4C2_hR21_166_a_2c_c:Hg-Na-P,7.0,"Invalid WP multiplicities - AB4C2_hR21_166_a_4c_c:Hg-Na-P, expected Na8HgP2 to be Na4HgP2" +mp-1019527,Ba3Y2(B2O5)3,-8.4082128832,-3.2941148701,0.0,-0.0102330999,GGA,Ia-3,A6B3C15D2_cI208_206_e_d_d2e_ab:B-Ba-O-Y,104.0,A6B3C15D2_cI208_206_e_d_d2e_ab:B-Ba-O-Y +mp-6331,Na2Y2B2O7,-8.0450365931,-3.1555291058,0.0043740553,0.0043740553,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:B-Na-O-Y,52.0,A2B2C7D2_mP52_14_2e_2e_7e_2e:B-Na-O-Y +mp-1182342,BaNaY(BO3)2,-7.9529841591,-3.1578125995,0.0066374771,0.0066374771,GGA,R-3,A2BCD6E_hR66_148_2c_c_c_2f_ab:B-Ba-Na-O-Y,22.0,A2BCD6E_hR66_148_2c_c_c_2f_ab:B-Ba-Na-O-Y +mp-6310,Ba3Y(BO3)3,-8.0949824479,-3.296121845,0.0,-0.0205614799,GGA,P6_3cm,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Y,96.0,"Invalid WP multiplicities - A3B3C9D_hP96_185_3c_a2b2c_5c6d_ab:B-Ba-O-Y, expected Ba11Y3(B3O17)3 to be Ba3Y(BO3)3" +mp-559066,Ba3Y(BO2)9,-8.3368392455,-3.1310870302,0.0078351537,0.0078351537,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Y,62.0,"Invalid WP multiplicities - A9B3C18D_hP62_176_3h3i_2a3f_10h19i_b:B-Ba-O-Y, expected Ba8Y(B3O16)9 to be Ba3Y(BO2)9" +mp-556039,Na3Y(BO3)2,-7.2920108567,-2.8359306231,0.0,-0.0252640448,GGA,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Na-O-Y,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_4e_11e_23e_e:B-Na-O-Y, expected Na11YB4O23 to be Na3Y(BO3)2" +mp-1201332,RbPH3O4,-5.9402105475,-1.9003472631,0.0460384425,0.0460384425,GGA,P2_1/c,A3B4CD_mP72_14_6e_8e_2e_2e:H-O-P-Rb,72.0,A3B4CD_mP72_14_6e_8e_2e_2e:H-O-P-Rb +mp-643791,RbP(HO2)2,-6.2970429756,-2.1762875364,0.0133963825,-0.0105339235,GGA,P2_1/m,A2B4CD_mP16_11_ae_2ef_e_e:H-O-P-Rb,16.0,A2B4CD_mP16_11_ae_2ef_e_e:H-O-P-Rb +mp-703528,RbP(HO2)2,-6.3033383919,-2.1825829526,0.0071009662,-0.0168293398,GGA,P2_1/c,A2B4CD_mP32_14_ace_4e_e_e:H-O-P-Rb,32.0,A2B4CD_mP32_14_ace_4e_e_e:H-O-P-Rb +mp-722348,RbP(HO2)2,-6.2365389969,-2.1157835576,0.0739003612,0.0499700552,GGA,P2_1/c,A2B4CD_mP32_14_2e_4e_e_e:H-O-P-Rb,32.0,A2B4CD_mP32_14_2e_4e_e_e:H-O-P-Rb +mp-1179721,RbP(HO2)2,-6.3076571733,-2.186901734,0.0027821848,-0.0211481212,GGA,P2_1/c,A2B4CD_mP64_14_4e_8e_2e_2e:H-O-P-Rb,64.0,"Invalid WP multiplicities - A2B4CD_mP64_14_4e_16e_2e_2e:H-O-P-Rb, expected RbP(HO4)2 to be RbP(HO2)2" +mp-23667,RbP(HO2)2,-6.3104393581,-2.1896839189,0.0,-0.023930306,GGA,Fdd2,A2B4CD_oF64_43_b_2b_a_a:H-O-P-Rb,16.0,A2B4CD_oF64_43_b_2b_a_a:H-O-P-Rb +mp-642831,RbP(HO2)2,-6.3038443269,-2.1830888876,0.0065950312,-0.0173352748,GGA,I-42d,A2B4CD_tI32_122_d_e_a_b:H-O-P-Rb,16.0,A2B4CD_tI32_122_d_e_a_b:H-O-P-Rb +mp-1198723,Rb2NiP4(HO2)8,-6.4629213055,-2.0860425122,0.0,-0.006893963,GGA+U,P-1,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Ni-O-P-Rb,31.0,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Ni-O-P-Rb +mp-849788,NiP(H4O3)3,-5.5625717598,-1.3701217543,0.1055728393,0.1055728393,GGA+U,Pnnm,A12BC9D_oP184_58_12h_acg_6g6h_2g:H-Ni-O-P,184.0,"Invalid WP multiplicities - A12BC9D_oP184_58_45h_2a2c2g_21g24h_5g:H-Ni-O-P, expected Ni4P5(H30O23)3 to be NiP(H4O3)3" +mp-24212,RbP(HO)2,-5.4654287571,-1.6199844085,0.0,-0.0517717494,GGA,Pnma,A2B2CD_oP24_62_2c_d_c_c:H-O-P-Rb,24.0,A2B2CD_oP24_62_2c_d_c_c:H-O-P-Rb +mp-1190228,RbP2(HO2)3,-6.3573525683,-2.0518984443,0.0305715571,0.0305715571,GGA,P-1,A3B6C2D_aP24_2_3i_6i_2i_i:H-O-P-Rb,24.0,A3B6C2D_aP24_2_3i_6i_2i_i:H-O-P-Rb +mp-1219662,Rb3P4H9O16,-6.3132745388,-2.1171381003,0.0001031056,0.0001031056,GGA,Cc,A9B16C4D3_mC128_9_9a_16a_4a_3a:H-O-P-Rb,64.0,"Invalid WP multiplicities - A9B16C4D3_mC128_9_13a_24a_6a_4a:H-O-P-Rb, expected Rb4P6H13O24 to be Rb3P4H9O16" +mp-703312,RbPH4O5,-5.9883125286,-1.9248412272,0.0173072648,0.0173072648,GGA,P2_1/c,A4B5CD_mP44_14_4e_5e_e_e:H-O-P-Rb,44.0,A4B5CD_mP44_14_4e_5e_e_e:H-O-P-Rb +mp-510650,NiP2(H4O5)2,-6.2060996181,-1.7672692769,0.0,-0.0043652274,GGA+U,P2_1/c,A8BC10D2_mP42_14_4e_a_5e_e:H-Ni-O-P,42.0,A8BC10D2_mP42_14_4e_a_5e_e:H-Ni-O-P +mp-1203345,Rb2PH5O6,-5.7681459882,-1.9097079065,0.0,-0.0211053813,GGA,P2_1/c,A5B6CD2_mP56_14_5e_6e_e_2e:H-O-P-Rb,56.0,A5B6CD2_mP56_14_5e_6e_e_2e:H-O-P-Rb +mp-1199511,RbP2H5O8,-6.3163159306,-2.0447984931,0.0,-0.0064206123,GGA,C2/c,A5B8C2D_mC64_15_e2f_4f_f_a:H-O-P-Rb,32.0,A5B8C2D_mC64_15_e2f_4f_f_c:H-O-P-Rb +mp-1203865,RbNi4(PO4)3,-7.1657372372,-2.1806745949,0.0,-0.0157863074,GGA+U,Pnnm,A4B12C3D_oP80_58_2gh_6g3h_3g_g:Ni-O-P-Rb,80.0,A4B12C3D_oP80_58_2gh_6g3h_3g_g:Ni-O-P-Rb +mp-734561,Rb3P3(HO3)4,-6.3740663614,-2.1871264317,0.0144135187,0.0144135187,GGA,P-1,A4B12C3D3_aP44_2_4i_12i_3i_3i:H-O-P-Rb,44.0,A4B12C3D3_aP44_2_4i_12i_3i_3i:H-O-P-Rb +mp-1376317,Rb3P3(HO3)4,-4.286953275,-0.1000133453,2.1015266051,2.1015266051,GGA,P-1,A4B12C3D3_aP44_2_4i_12i_3i_3i:H-O-P-Rb,44.0,"Invalid WP multiplicities - A4B12C3D3_aP44_2_7i_23i_5i_5i:H-O-P-Rb, expected Rb5P5H7O23 to be Rb3P3(HO3)4" +mp-1204322,NiPH15O11,-5.6218853591,-1.4612458703,0.0081671212,0.0081671212,GGA+U,Pmn2_1,A15BC11D_oP56_31_3a6b_a_5a3b_a:H-Ni-O-P,56.0,A15BC11D_oP56_31_3a6b_a_5a3b_a:H-Ni-O-P +mp-1200445,NiP2(H7O6)2,-5.7828835888,-1.525463904,0.0453696615,0.0453696615,GGA+U,P2_1/c,A14BC12D2_mP58_14_7e_a_6e_e:H-Ni-O-P,58.0,A14BC12D2_mP58_14_7e_a_6e_e:H-Ni-O-P +mp-1198584,Ni3P2(HO)16,-5.93681077,-1.5693066848,0.0044955622,0.0044955622,GGA+U,C2/m,A16B3C16D2_mC74_12_4j_ag_2i3j_i:H-Ni-O-P,37.0,A16B3C16D2_mC74_12_4j_ag_2i3j_i:H-Ni-O-P +mp-758219,NiP2(H8O5)2,-5.4183916779,-1.2681418322,0.0813649562,0.0813649562,GGA+U,C2/c,A16BC10D2_mC116_15_8f_e_2e4f_f:H-Ni-O-P,58.0,"Invalid WP multiplicities - A16BC10D2_mC116_15_25f_e_4e9f_f:H-Ni-O-P, expected NiP2(H25O11)2 to be NiP2(H8O5)2" +mp-746672,NiP2H2O7,-6.9553310207,-2.1204131239,0.0031284473,-0.0074918145,GGA+U,P2_1/c,A2BC7D2_mP96_14_4e_2e_14e_4e:H-Ni-O-P,96.0,A2BC7D2_mP96_14_4e_2e_14e_4e:H-Ni-O-P +mp-1202294,NiP2H2O7,-6.958459468,-2.1235415712,0.0,-0.0106202618,GGA+U,P2_1/c,A2BC7D2_mP96_14_4e_2e_14e_4e:H-Ni-O-P,96.0,A2BC7D2_mP96_14_4e_2e_14e_4e:H-Ni-O-P +mp-1103367,CNO,-7.4915500242,0.0123996854,0.8975716513,0.8975716513,GGA,Pnma,ABC_oP12_62_c_c_c:C-N-O,12.0,ABC_oP12_62_c_c_c:C-N-O +mp-1182145,CN2O,-7.797432609999999,-0.0853465966,0.5785323778,0.5785323778,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-N-O,16.0,AB2C_mP16_14_e_2e_e:C-N-O +mp-1078789,CN2O,-6.5841551725,1.1279308409,1.7918098153000002,1.7918098153000002,GGA,P-42_1m,AB2C_tP8_113_c_e_c:C-N-O,8.0,AB2C_tP8_113_c_e_c:C-N-O +mp-1198447,C3N4O3,-7.283260978699999,0.3039432524,1.1005980216,1.1005980216,GGA,C2/c,A3B4C3_mC80_15_3f_4f_3f:C-N-O,40.0,A3B4C3_mC80_15_3f_4f_3f:C-N-O +mp-1197051,C(NO)2,-7.0871221058,0.0718844472,1.1340908063,1.1340908063,GGA,P2_12_12_1,AB2C2_oP40_19_2a_4a_4a:C-N-O,40.0,AB2C2_oP40_19_2a_4a_4a:C-N-O +mp-1214325,C(NO)2,-6.2625753437,0.8964312093000001,1.9586375683,1.9586375683,GGA,Pbca,AB2C2_oP40_61_c_2c_2c:C-N-O,40.0,AB2C2_oP40_61_c_2c_2c:C-N-O +mp-1214309,CNO2,-7.1021196645,-0.2374852045,1.0902727442,1.0902727442,GGA,C2/c,ABC2_mC128_15_4f_4f_8f:C-N-O,64.0,ABC2_mC128_15_4f_4f_8f:C-N-O +mp-725609,C2N2O5,-7.3703988489,-0.7188694721000001,0.5758812114,0.5758812114,GGA,P1,A2B2C5_aP18_1_4a_4a_10a:C-N-O,18.0,A2B2C5_aP18_1_4a_4a_10a:C-N-O +mp-1188168,C2N2O5,-7.3693519694,-0.7178225926,0.5769280908000001,0.5769280908000001,GGA,P2_12_12,A2B2C5_oP18_18_c_c_a2c:C-N-O,18.0,A2B2C5_oP18_18_c_c_a2c:C-N-O +mp-1182835,C(N2O)2,-5.7465492975,1.7488825046,2.5076013325,2.5076013325,GGA,Fdd2,AB4C2_oF112_43_b_4b_2b:C-N-O,28.0,AB4C2_oF112_43_b_4b_2b:C-N-O +mp-1194028,C(N2O)2,-6.6281387639,0.8672930382,1.6260118661,1.6260118661,GGA,Fdd2,AB4C2_oF112_43_b_4b_2b:C-N-O,28.0,AB4C2_oF112_43_b_4b_2b:C-N-O +mp-1214250,C2N2O,-8.2202571023,-0.2048551931,0.3262479864,0.3262479864,GGA,P6_3/m,A2B2C_hP30_176_2h_2h_h:C-N-O,30.0,A2B2C_hP30_176_2h_2h_h:C-N-O +mp-1199083,C4(N3O)3,-7.2837194564,0.6402294454,1.1381386762,1.1381386762,GGA,Pna2_1,A4B9C3_oP64_33_4a_9a_3a:C-N-O,64.0,A4B9C3_oP64_33_4a_9a_3a:C-N-O +mp-729513,C5N4O3,-8.2589869633,-0.3982058553,0.2656731191,0.2656731191,GGA,P2_1/c,A5B4C3_mP48_14_5e_4e_3e:C-N-O,48.0,A5B4C3_mP48_14_5e_4e_3e:C-N-O +mp-1197543,CN6O,-8.0609989366,-0.0367084673,0.2952310198,0.2952310198,GGA,Pnma,AB6C_oP32_62_c_6c_c:C-N-O,32.0,AB6C_oP32_62_c_6c_c:C-N-O +mp-1212699,Ho6N8O33,-7.0872658645,-1.610092671,0.178735868,0.178735868,GGA,P-1,A6B8C33_aP47_2_3i_4i_a16i:Ho-N-O,47.0,A6B8C33_aP47_2_3i_4i_a16i:Ho-N-O +mp-1352605,Ho6N8O33,-5.2499498562,0.2272233373,2.0160518763,2.0160518763,GGA,P-1,A6B8C33_aP47_2_3i_4i_a16i:Ho-N-O,47.0,A6B8C33_aP47_2_3i_4i_a16i:Ho-N-O +mp-1193599,HoN3O10,-6.8459318736,-1.1988761052,0.1525886049,0.1525886049,GGA,P-1,AB3C10_aP28_2_i_3i_10i:Ho-N-O,28.0,AB3C10_aP28_2_i_3i_10i:Ho-N-O +mp-20374,Ho2C(NO)2,-8.9262354329,-2.5033996464,0.0,-0.2168048074,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Ho-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Ho-N-O +mp-1223805,HoCoC,-7.24238796,-0.2692572408,0.0586678717,0.038550349,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Ho,3.0,ABC_tP3_123_a_b_c:C-Co-Ho +mp-20906,HoCoC,-7.3010558317,-0.3279251125,0.0,-0.0201175226,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Ho,6.0,ABC_tP6_131_c_a_f:C-Co-Ho +mp-1212685,HoCoC6(N3O2)2,-7.5127815478,0.0910208975,1.0422238412,1.0422238412,GGA+U,Cmcm,A6BCD6E4_oC72_63_fh_a_c_fh_fg:C-Co-Ho-N-O,36.0,A6BCD6E4_oC72_63_fh_a_c_fh_fg:C-Co-Ho-N-O +mp-1212536,HoN7O15,-6.5019794512,-0.5394488419,0.5520581716,0.5520581716,GGA,P3_1,AB7C15_hP69_144_a_7a_15a:Ho-N-O,69.0,AB7C15_hP69_144_a_7a_15a:Ho-N-O +mp-9241,HoCoC2,-7.889062435,-0.3520480225,0.0,-0.1061041881,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Ho,4.0,A2BC_oC8_38_d_a_b:C-Co-Ho +mp-1224153,HoNO4,-7.6018230567,-2.15087995,0.0209345631,0.0209345631,GGA,Aem2,ABC4_oC24_39_c_c_acd:Ho-N-O,12.0,ABC4_oC24_39_c_c_acd:Ho-N-O +mp-1200900,Ho(NO3)3,-7.1563536913,-1.4554235339,0.0,-0.1303003892,GGA,P2_1/c,AB3C9_mP52_14_e_3e_9e:Ho-N-O,52.0,AB3C9_mP52_14_e_3e_9e:Ho-N-O +mp-23136,KBi(WO4)2,-8.0297771488,-2.1597222965,0.0,-0.0045897361,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Bi-K-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Bi-K-O-W +mp-1522301,KMnBiWO6,-7.582084928,-1.9069683413,0.1690011323,0.1690011323,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Mn-O-W +mp-1205009,AlB6H6(CCl3)2,-5.2156200507,-0.752437495,0.0150501246,0.0150501246,GGA,P2_1/c,AB6C2D6E6_mP84_14_e_6e_2e_6e_6e:Al-B-C-Cl-H,84.0,AB6C2D6E6_mP84_14_e_6e_2e_6e_6e:Al-B-C-Cl-H +mp-1247832,Al17(BC3)6,-6.5230009917,0.0591238522,0.1493587015,0.1493587015,GGA,P321,A17B6C18_hP41_150_a2d2g_c2d_2c4def:Al-B-C,41.0,"Invalid WP multiplicities - A17B6C18_hP41_150_a4d6g_c4d_3c8d2e2f:Al-B-C, expected Al45(B5C17)2 to be Al17(BC3)6" +mp-569787,Al(BH4)3,-4.2467501484,-0.2157211683,0.0,-0.0572904936,GGA,Pna2_1,AB3C12_oP64_33_a_3a_12a:Al-B-H,64.0,"Invalid WP multiplicities - AB3C12_oP64_33_a_6a_44a:Al-B-H, expected Al(B3H22)2 to be Al(BH4)3" +mp-1228599,Al3BC3,-6.6068018731,-0.0922139105,0.0,-0.0058394507,GGA,P6_3cm,A3BC3_hP42_185_ab2c_ab_2a2bc:Al-B-C,42.0,"Invalid WP multiplicities - A3BC3_hP42_185_ab2c_ab_2a4bc:Al-B-C, expected Al9B3C13 to be Al3BC3" +mp-1214836,Al3BC3,-6.6037930329,-0.0892050702,0.0030088402,-0.0028306104,GGA,P6_3/mmc,A3BC3_hP14_194_bf_a_ce:Al-B-C,14.0,A3BC3_hP14_194_bf_a_ce:Al-B-C +mp-1228446,Al3BC,-5.52696833,-0.0980113793,0.0,-0.039479253,GGA,P6_3/mmc,A3BC_hP10_194_bf_a_c:Al-B-C,10.0,A3BC_hP10_194_bf_a_c:Al-B-C +mp-1205245,B11H2CCl11,-5.2817922498,-0.8889390369,0.0006327367,0.0006327367,GGA,P-1,A11BC11D2_aP100_2_22i_2i_22i_4i:B-C-Cl-H,100.0,A11BC11D2_aP100_2_22i_2i_22i_4i:B-C-Cl-H +mp-1228130,Al8BC5,-5.9606755821,-0.0472951626,0.0461432041,0.0461432041,GGA,R-3m,A8BC5_hR42_166_4c_a_b2c:Al-B-C,14.0,"Invalid WP multiplicities - A8BC5_hR42_166_6c_a_b3c:Al-B-C, expected Al12BC7 to be Al8BC5" +mp-695987,MgH10CO8,-5.7783277656,-1.5618419815,0.0120224025,0.0120224025,GGA,P2_1/c,AB10CD8_mP80_14_e_10e_ad_8e:C-H-Mg-O,80.0,AB10CD8_mP80_14_e_10e_ad_8e:C-H-Mg-O +mp-1194668,MgH4(CO)4,-6.6900967909,-1.1614351721,0.139914872,0.139914872,GGA,P2_1/c,A4B4CD4_mP156_14_12e_12e_ab2e_12e:C-H-Mg-O,156.0,A4B4CD4_mP156_14_12e_12e_ab2e_12e:C-H-Mg-O +mp-542785,MgH6(CO3)2,-6.1839489047,-1.5110089332,0.074655304,0.074655304,GGA,P2_1/c,A2B6CD6_mP60_14_2e_6e_ad_6e:C-H-Mg-O,60.0,A2B6CD6_mP60_14_2e_6e_ab_6e:C-H-Mg-O +mp-556127,MgH6(CO3)2,-6.1751995507,-1.5022595792,0.083404658,0.083404658,GGA,Pbca,A2B6CD6_oP60_61_c_3c_a_3c:C-H-Mg-O,60.0,"Invalid WP multiplicities - A2B6CD6_oP60_61_c_18c_a_17c:C-H-Mg-O, expected MgH36(CO17)2 to be MgH6(CO3)2" +mp-555000,MgH2(CO2)2,-6.8496107218,-1.6685198362,0.1195512121,0.1195512121,GGA,P2_1/c,A2B2CD4_mP108_14_6e_6e_ab2e_12e:C-H-Mg-O,108.0,"Invalid WP multiplicities - A2B2CD4_mP108_14_22e_23e_2ab6e_44e:C-H-Mg-O, expected Mg15H46(CO2)44 to be MgH2(CO2)2" +mp-1197697,MgH2(CO2)2,-6.8497673545,-1.6686764689,0.1193945794,0.1193945794,GGA,Pca2_1,A2B2CD4_oP216_29_12a_12a_6a_24a:C-H-Mg-O,216.0,A2B2CD4_oP216_29_12a_12a_6a_24a:C-H-Mg-O +mp-720835,Mg5H10(C2O9)2,-6.5437036886,-2.0063058651,0.0050642789,0.0050642789,GGA,P2_1/c,A4B10C5D18_mP74_14_2e_5e_a2e_9e:C-H-Mg-O,74.0,A4B10C5D18_mP74_14_2e_5e_a2e_9e:C-H-Mg-O +mp-1199041,MgH6CO6,-6.0282628457,-1.68073184,0.0181941284,0.0181941284,GGA,P2_1/c,AB6CD6_mP56_14_e_6e_e_6e:C-H-Mg-O,56.0,AB6CD6_mP56_14_e_6e_e_6e:C-H-Mg-O +mp-721753,CsH7(C2O5)2,-6.5052252207,-1.4585873221,0.0592961266,0.0592961266,GGA,P-1,A4BC7D10_aP44_2_4i_i_7i_10i:C-Cs-H-O,44.0,A4BC7D10_aP44_2_4i_i_7i_10i:C-Cs-H-O +mp-758948,Cs2H6CO6,-5.6771923627,-1.6067951111,0.0,-0.0101838427,GGA,P2/c,AB2C6D6_mP30_13_e_g_3g_ef2g:C-Cs-H-O,30.0,"Invalid WP multiplicities - AB2C6D6_mP30_13_e_g_5g_ef4g:C-Cs-H-O, expected Cs2H10CO10 to be Cs2H6CO6" +mp-696987,CsH(CO2)2,-6.9747036388,-1.6581768579,0.0778733914,0.0778733914,GGA,P2_1/c,A2BCD4_mP32_14_2e_e_e_4e:C-Cs-H-O,32.0,A2BCD4_mP32_14_2e_e_e_4e:C-Cs-H-O +mp-542704,CsHCO2,-6.246321738,-1.5642874716,0.0664889401,0.0664889401,GGA,Pbcm,ABCD2_oP20_57_d_c_d_2d:C-Cs-H-O,20.0,ABCD2_oP20_57_d_c_d_2d:C-Cs-H-O +mp-1190751,Cs2H2C2O5,-6.4320963941,-1.7260026327,0.0364308359,0.0364308359,GGA,C2/c,A2B2C2D5_mC44_15_f_f_f_e2f:C-Cs-H-O,22.0,A2B2C2D5_mC44_15_f_f_f_e2f:C-Cs-H-O +mp-696986,CsH2CO3,-6.1564039389,-1.6207487835,0.0423833187,0.0423833187,GGA,P2_1/c,ABC2D3_mP28_14_e_e_2e_3e:C-Cs-H-O,28.0,ABC2D3_mP28_14_e_e_2e_3e:C-Cs-H-O +mp-1191606,CsHCO3,-6.5963811146,-1.870237774,0.0019099088,-0.0686714481,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-Cs-H-O,24.0,ABCD3_mP24_14_e_e_e_3e:C-Cs-H-O +mp-1238754,CsHCO3,-6.5982910233,-1.8721476828,0.0,-0.0705813568,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-Cs-H-O,24.0,ABCD3_mP24_14_e_e_e_3e:C-Cs-H-O +mp-1099227,CsMg6CO8,-5.4513265844,-1.7451229685,1.0291535445,1.0291535445,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Cs-Mg-O, expected CsMg6CO12 to be CsMg6CO8" +mp-1033571,CsMg6CO8,-5.473387655,-1.7671840391,1.0070924739,1.0070924739,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Cs-Mg-O, expected CsMg6CO12 to be CsMg6CO8" +mp-733936,Cs2MgH8(CO5)2,-6.0382265882,-1.7574826207,0.0,-0.0092985379,GGA,Pbca,A2B2C8DE10_oP92_61_c_c_4c_a_5c:C-Cs-H-Mg-O,92.0,A2B2C8DE10_oP92_61_c_c_4c_a_5c:C-Cs-H-Mg-O +mp-1213543,CsH3(SO4)2,-5.9786167248,-1.7700460155000002,0.0,-0.0174330784,GGA,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Cs-H-O-S,56.0,AB3C8D2_mP56_14_e_3e_8e_2e:Cs-H-O-S +mp-849751,CsCoH24(SO10)2,-5.4919520628,-1.395372496,0.0350371004,0.0350371004,GGA+U,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Co-Cs-H-O-S,192.0,"Invalid WP multiplicities - ABC24D20E2_cP192_205_a_b_41d_2c31d_c:Co-Cs-H-O-S, expected CsCoH246(SO95)2 to be CsCoH24(SO10)2" +mp-863299,Cs2CoH12(SO7)2,-5.706060884,-1.6048229237,0.0,-0.0056970873,GGA+U,P2_1/c,AB2C12D14E2_mP62_14_a_e_6e_7e_e:Co-Cs-H-O-S,62.0,AB2C12D14E2_mP62_14_a_e_6e_7e_e:Co-Cs-H-O-S +mp-557752,CsHSO4,-5.9841722964,-1.9539818494,0.0086495232,-0.0198397301,GGA,P2_1/m,ABC4D_mP14_11_e_a_2ef_e:Cs-H-O-S,14.0,"Invalid WP multiplicities - ABC4D_mP14_11_e_a_4e2f_e:Cs-H-O-S, expected CsHSO8 to be CsHSO4" +mp-540981,CsHSO4,-5.9878597386,-1.9576692916,0.0049620811,-0.0235271723,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-S +mp-1192419,CsHSO4,-5.9928218196,-1.9626313727,0.0,-0.0284892533,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:Cs-H-O-S +mp-1213811,Cs2Co(SO7)2,-5.5916500908,-1.0429309208,0.3407432587,0.3407432587,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Co-Cs-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Co-Cs-O-S +mp-1106125,CsHSO2,-5.303668589,-1.6400774477,0.1034026431,0.1034026431,GGA,C2/m,ABC2D_mC40_12_2i_j_2ij_2i:Cs-H-O-S,20.0,ABC2D_mC40_12_2i_j_2ij_2i:Cs-H-O-S +mp-1190463,CsHS2O7,-6.1579223605,-1.8681178941,0.0,-0.0452039864,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cs-H-O-S,22.0,ABC7D2_aP22_2_i_i_7i_2i:Cs-H-O-S +mp-1018678,CsHSO3,-5.6356397650000005,-1.7581990287,0.1153132206,0.1153132206,GGA,R3m,ABC3D_hR18_160_a_a_b_a:Cs-H-O-S,6.0,ABC3D_hR18_160_a_a_b_a:Cs-H-O-S +mp-1035244,Mg14CuCO16,-6.1832483487,-2.5932854662,0.270824695,0.270824695,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Cu-Mg-O, expected Mg18CuCO20 to be Mg14CuCO16" +mp-1035238,Mg14CuCO16,-6.1730498291,-2.5830869465,0.2810232147,0.2810232147,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Cu-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Cu-Mg-O, expected Mg30CuCO32 to be Mg14CuCO16" +mp-1022119,Mg6CuC,-2.55700478,0.3091892778,0.3537201966,0.3537201966,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Cu-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Cu-Mg +mp-1022169,Mg6CuC,-2.6228693694,0.2433246884,0.2878556072,0.2878556072,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:C-Cu-Mg, expected Mg12CuC to be Mg6CuC" +mp-1180744,Mg2Cu2CO11,-5.6799177988,-0.9898418765,0.4315538638,0.4315538638,GGA,C2/c,AB2C2D11_mC64_15_e_f_f_e5f:C-Cu-Mg-O,32.0,AB2C2D11_mC64_15_e_f_f_e5f:C-Cu-Mg-O +mp-1199461,Mg2Cu2CO11,-5.3871819369,-0.6971060146,0.7242897256,0.7242897256,GGA,C2/c,AB2C2D11_mC64_15_e_f_f_e5f:C-Cu-Mg-O,32.0,AB2C2D11_mC64_15_e_f_f_e5f:C-Cu-Mg-O +mp-1200133,MgCuCO5,-6.546831755,-1.5891322839000002,0.202268758,0.202268758,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:C-Cu-Mg-O,32.0,ABCD5_mP32_14_e_e_e_5e:C-Cu-Mg-O +mp-1037140,Mg30CuCO32,-6.2442692128,-2.8125455812,0.1465296491,0.1465296491,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Cu-Mg-O, expected Mg110CuCO72 to be Mg30CuCO32" +mp-1037135,Mg30CuCO32,-6.2500575762,-2.8183339446,0.1407412856,0.1407412856,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Cu-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Cu-Mg-O, expected Mg90CuCO80 to be Mg30CuCO32" +mp-1032338,Mg6CuCO8,-6.0334861838,-2.1270447992,0.5471352237,0.5471352237,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Cu-Mg-O, expected Mg6CuCO12 to be Mg6CuCO8" +mp-1032348,Mg6CuCO8,-6.0620303194,-2.1555889348,0.5185910881,0.5185910881,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Cu-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Cu-Mg-O, expected Mg6CuCO12 to be Mg6CuCO8" +mp-1026904,Mg14CuC,-2.0414394513,0.1917976027,0.214063062,0.214063062,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Cu-Mg, expected Mg18CuC to be Mg14CuC" +mp-1026887,Mg14CuC,-1.9456672438,0.2875698102,0.3098352695,0.3098352695,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Cu-Mg, expected Mg26CuC to be Mg14CuC" +mp-1233260,MgCu4H8(CO5)2,-5.7002797252,-1.1777543977,0.2173234432,0.2173234432,GGA,P1,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Mg-O,25.0,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Mg-O +mp-1234265,MgCu4H8(CO5)2,-5.6866147652,-1.1640894377,0.2309884032,0.2309884032,GGA,P1,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Mg-O,25.0,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Mg-O +mp-1211417,Mg2Cu2H2CO9,-5.9654769591,-1.4696463701,0.192134499,0.192134499,GGA,C2/c,AB2C2D2E9_mC64_15_e_f_f_f_e4f:C-Cu-H-Mg-O,32.0,AB2C2D2E9_mC64_15_e_f_f_f_e4f:C-Cu-H-Mg-O +mp-696085,Zn2P2H12O11,-5.5723002272,-1.5548046496,0.0206981637,0.0206981637,GGA,P-1,A12B11C2D2_aP54_2_12i_11i_2i_bei:H-O-P-Zn,54.0,A12B11C2D2_aP54_2_12i_11i_2i_bei:H-O-P-Zn +mp-1201746,CoP2H2O7,-7.0357101284,-2.090110472,0.0245568828,0.0245568828,GGA+U,P2_1/c,AB2C7D2_mP96_14_2e_4e_14e_4e:Co-H-O-P,96.0,AB2C7D2_mP96_14_2e_4e_14e_4e:Co-H-O-P +mp-1197840,Zn6P4H14O23,-5.921000899,-1.8681567145,0.0180909554,0.0180909554,GGA,P-1,A14B23C4D6_aP94_2_14i_23i_4i_6i:H-O-P-Zn,94.0,A14B23C4D6_aP94_2_14i_23i_4i_6i:H-O-P-Zn +mp-697451,ZnP2(HO)4,-5.54427754,-1.4130041174,0.0182849048,0.0182849048,GGA,Pmma,A4B4C2D_oP22_51_jk_ik_ef_a:H-O-P-Zn,22.0,A4B4C2D_oP22_51_jk_ik_ef_a:H-O-P-Zn +mp-755227,CoPHO5,-6.8234631266,-1.7424893887,0.0703631754,0.0703631754,GGA+U,P-1,ABC5D_aP16_2_be_i_5i_i:Co-H-O-P,32.0,ABC5D_aP16_2_be_i_5i_i:Co-H-O-P +mp-1200196,ZnP2(H4O5)2,-6.0075058055,-1.7839322771,0.0279401137,0.0279401137,GGA,P-1,A8B10C2D_aP42_2_8i_10i_2i_bc:H-O-P-Zn,42.0,A8B10C2D_aP42_2_8i_10i_2i_bc:H-O-P-Zn +mp-1196989,ZnP2(H4O5)2,-6.0314639362,-1.8078904078,0.0039819829,0.0039819829,GGA,P2_1/c,A8B10C2D_mP42_14_4e_5e_e_a:H-O-P-Zn,42.0,A8B10C2D_mP42_14_4e_5e_e_a:H-O-P-Zn +mp-1207492,Zn3P2(HO2)4,-5.19197945,-1.2066706433,0.6213679743,0.6213679743,GGA,P-1,A4B8C2D3_aP17_2_2i_4i_i_ai:H-O-P-Zn,17.0,A4B8C2D3_aP17_2_2i_4i_i_ai:H-O-P-Zn +mp-1207737,Zn3P2(HO2)4,-5.5145086354,-1.5291998288,0.2988387889,0.2988387889,GGA,Pnma,A4B8C2D3_oP68_62_2cd_4d_d_cd:H-O-P-Zn,68.0,A4B8C2D3_oP68_62_2cd_4d_d_cd:H-O-P-Zn +mp-542114,CoP2(H8O5)2,-5.4279891297,-1.2319399352,0.1282305088,0.1282305088,GGA+U,I4_1/acd,AB16C10D2_tI232_142_b_4g_d2g_e:Co-H-O-P,116.0,AB16C10D2_tI232_142_b_4g_d2g_e:Co-H-O-P +mp-782822,Co2P2H12O13,-6.0887392228,-1.6038114162,0.0533434566,0.0533434566,GGA+U,P2_1/c,A2B12C13D2_mP116_14_ace_12e_13e_2e:Co-H-O-P,116.0,"Invalid WP multiplicities - A2B12C13D2_mP116_14_2a2c2e_47e_51e_5e:Co-H-O-P, expected Co4P5H47O51 to be Co2P2H12O13" +mp-1237503,CoP(H4O3)3,-5.1009977961,-0.8508007855,0.6276894359,0.6276894359,GGA+U,Pbam,AB12C9D_oP92_55_e_4g4i_2gh3i_h:Co-H-O-P,92.0,AB12C9D_oP92_55_e_4g4i_2gh3i_h:Co-H-O-P +mp-720739,ZnP2H6O5,-5.4055529639,-1.3215423604,0.0777677329,0.0777677329,GGA,P2_1/c,A6B5C2D_mP56_14_6e_5e_2e_e:H-O-P-Zn,56.0,A6B5C2D_mP56_14_6e_5e_2e_e:H-O-P-Zn +mp-1198849,Zn2CoP2(H2O3)4,-6.0613092517,-1.7830499348000002,0.0303143922,0.0303143922,GGA+U,Pnma,AB8C12D2E2_oP100_62_c_4d_2c5d_d_d:Co-H-O-P-Zn,100.0,AB8C12D2E2_oP100_62_c_4d_2c5d_d_d:Co-H-O-P-Zn +mp-1198871,Zn3P6H6O19,-5.8691886685,-1.4397037375,0.6796616641000001,0.6796616641000001,GGA,R-3,A6B19C6D3_hR204_148_2f_c6f_2f_f:H-O-P-Zn,68.0,A6B19C6D3_hR204_148_2f_c6f_2f_f:H-O-P-Zn +mp-1203946,ZnPH5O6,-5.8427130672,-1.7414200972,0.0279999545,0.0279999545,GGA,Pnma,A5B6CD_oP208_62_10d_2c11d_2d_acd:H-O-P-Zn,208.0,A5B6CD_oP208_62_10d_2c11d_2d_acd:H-O-P-Zn +mp-703593,ZnP2(HO3)2,-5.9334925924,-1.5196805033,0.5545298455000001,0.5545298455000001,GGA,R-3,A2B6C2D_hR198_148_2f_6f_2f_f:H-O-P-Zn,66.0,A2B6C2D_hR198_148_2f_6f_2f_f:H-O-P-Zn +mp-706444,Zn3P2(H2O3)4,-5.859292929,-1.8149765795,0.0350194714,0.0350194714,GGA,Pnma,A8B12C2D3_oP100_62_4d_2c5d_d_cd:H-O-P-Zn,100.0,A8B12C2D3_oP100_62_4d_2c5d_d_cd:H-O-P-Zn +mp-1200806,Zn3P2(H2O3)4,-5.8703178951,-1.8260015456,0.0239945053,0.0239945053,GGA,Pnma,A8B12C2D3_oP100_62_2c3d_2c5d_d_cd:H-O-P-Zn,100.0,A8B12C2D3_oP100_62_2c3d_2c5d_d_cd:H-O-P-Zn +mp-561632,ZnCoPHO5,-6.7032177833,-2.0468251708,0.0,-0.0193205588,GGA+U,P-1,ABC5DE_aP18_2_ac_i_5i_i_i:Co-H-O-P-Zn,36.0,"Invalid WP multiplicities - ABC5DE_aP18_2_2a2c_i_5i_i_i:Co-H-O-P-Zn, expected ZnCo2PHO5 to be ZnCoPHO5" +mp-562339,Co3P2H2O9,-7.2022915231,-1.9862159675,0.0115362698,0.0115362698,GGA+U,P2_1/c,A3B2C9D2_mP64_14_3e_2e_9e_2e:Co-H-O-P,64.0,"Invalid WP multiplicities - A3B2C9D2_mP64_14_8e_3e_31e_5e:Co-H-O-P, expected Co8P5H3O31 to be Co3P2H2O9" +mp-1197483,Zn5P6(H3O5)6,-6.0458562203,-1.8382585383,0.0401881157,0.0401881157,GGA,P-1,A18B30C6D5_aP59_2_9i_15i_3i_a2i:H-O-P-Zn,59.0,A18B30C6D5_aP59_2_9i_15i_3i_a2i:H-O-P-Zn +mp-505176,Co2P2H4O9,-6.8039269616,-1.9136714802,0.008260465,0.008260465,GGA+U,P2_1/c,A2B4C9D2_mP68_14_2e_4e_9e_2e:Co-H-O-P,68.0,A2B4C9D2_mP68_14_2e_4e_9e_2e:Co-H-O-P +mp-1178861,Zn3P2H7O12,-5.8304928507,-1.7590269052,0.0879239382,0.0879239382,GGA,P2_12_12_1,A7B12C2D3_oP96_19_7a_12a_2a_3a:H-O-P-Zn,96.0,A7B12C2D3_oP96_19_7a_12a_2a_3a:H-O-P-Zn +mp-1199400,ZnCoP2H12O11,-5.7318414219000005,-1.4977319855,0.0830592844,0.0830592844,GGA+U,P-1,AB12C11D2E_aP54_2_be_12i_11i_2i_i:Co-H-O-P-Zn,54.0,AB12C11D2E_aP54_2_be_12i_11i_2i_i:Co-H-O-P-Zn +mp-24536,CoP2(H4O5)2,-6.2748300324,-1.7727529714,0.0,-0.0047940573,GGA+U,P2_1/c,AB8C10D2_mP42_14_a_4e_5e_e:Co-H-O-P,42.0,"Invalid WP multiplicities - AB8C10D2_mP42_14_a_5e_8e_e:Co-H-O-P, expected CoP2(H5O8)2 to be CoP2(H4O5)2" +mp-1201226,Zn2P2H10O11,-5.5043964808,-1.4369193405,0.2570273643,0.2570273643,GGA,P-1,A10B11C2D2_aP50_2_10i_11i_2i_bei:H-O-P-Zn,50.0,A10B11C2D2_aP50_2_10i_11i_2i_bei:H-O-P-Zn +mp-554552,Zn3P2H2O9,-6.2796811419,-2.160213246,0.009250197,0.009250197,GGA,P2_1/c,A2B9C2D3_mP64_14_2e_9e_2e_3e:H-O-P-Zn,64.0,"Invalid WP multiplicities - A2B9C2D3_mP64_14_5e_34e_4e_9e:H-O-P-Zn, expected Zn9P4H5O34 to be Zn3P2H2O9" +mp-1207801,Zn4P2H3O10,-5.7342538661,-1.7600094081000002,0.2626801876,0.2626801876,GGA,P2/c,A3B10C2D4_mP38_13_fg_5g_g_aeg:H-O-P-Zn,38.0,A3B10C2D4_mP38_13_eg_5g_g_afg:H-O-P-Zn +mp-696788,CoP4(H5O8)2,-6.4955793561,-1.9202307222,5.38915e-05,5.38915e-05,GGA+U,P-1,AB10C16D4_aP31_2_a_5i_8i_2i:Co-H-O-P,62.0,AB10C16D4_aP31_2_a_5i_8i_2i:Co-H-O-P +mp-1183924,CoP4(H5O8)2,-6.4786345135,-1.9032858796,0.016998734,0.016998734,GGA+U,P-1,AB10C16D4_aP31_2_a_5i_8i_2i:Co-H-O-P,31.0,AB10C16D4_aP31_2_a_5i_8i_2i:Co-H-O-P +mp-707311,ZnPH3O5,-6.062933371,-1.9044665902,0.0111632709,0.0111632709,GGA,P-1,A3B5CD_aP60_2_9i_15i_3i_3i:H-O-P-Zn,60.0,"Invalid WP multiplicities - A3B5CD_aP60_2_17i_29i_5i_5i:H-O-P-Zn, expected Zn5P5H17O29 to be ZnPH3O5" +mp-1204587,Co3P2(H2O3)4,-6.4571081201,-1.7109628684,0.0291380109,0.0291380109,GGA+U,Pnma,A3B8C12D2_oP100_62_cd_2c3d_2c5d_d:Co-H-O-P,100.0,A3B8C12D2_oP100_62_cd_2c3d_2c5d_d:Co-H-O-P +mp-1202701,Co3P2(HO)16,-6.0470690527,-1.5718746068,0.0196705345,0.0196705345,GGA+U,C2/m,A3B16C16D2_mC74_12_ag_4j_2i3j_i:Co-H-O-P,37.0,A3B16C16D2_mC74_12_ag_4j_2i3j_i:Co-H-O-P +mp-505087,Co3P2(H2O5)2,-6.8827502787,-1.8727845055,0.0119627503,0.0119627503,GGA+U,P2_1/c,A3B4C10D2_mP38_14_ae_2e_5e_e:Co-H-O-P,38.0,A3B4C10D2_mP38_14_ae_2e_5e_e:Co-H-O-P +mp-542935,Co5P4(HO2)10,-6.7145485197,-1.8413220152,0.0132729332,0.0132729332,GGA+U,C2/c,A5B10C20D4_mC156_15_e2f_5f_10f_2f:Co-H-O-P,78.0,A5B10C20D4_mC156_15_e2f_5f_10f_2f:Co-H-O-P +mp-722516,Zn2PHO5,-6.1326822272,-2.1261311908,0.0019036696,0.0019036696,GGA,P-1,AB5CD2_aP18_2_i_5i_i_2i:H-O-P-Zn,18.0,AB5CD2_aP18_2_i_5i_i_2i:H-O-P-Zn +mp-24004,Zn2PHO5,-6.1234494844,-2.116898448,0.0111364124,0.0111364124,GGA,Pnnm,AB5CD2_oP36_58_g_3gh_g_eg:H-O-P-Zn,36.0,"Invalid WP multiplicities - AB5CD2_oP36_58_g_3g2h_g_eg:H-O-P-Zn, expected Zn2PHO7 to be Zn2PHO5" +mp-1201433,ZnP2H4O9,-6.0893974203,-1.70330672,0.1940055352,0.1940055352,GGA,Fdd2,A4B9C2D_oF128_43_2b_a4b_b_a:H-O-P-Zn,32.0,A4B9C2D_oF128_43_2b_a4b_b_a:H-O-P-Zn +mp-721058,CoPH3O4,-6.3343430835,-1.6136149411,0.0681171776,0.0681171776,GGA+U,Pca2_1,AB3C4D_oP72_29_2a_6a_8a_2a:Co-H-O-P,72.0,AB3C4D_oP72_29_2a_6a_8a_2a:Co-H-O-P +mp-24516,Co7P6(HO6)4,-7.3170361866,-2.0846100194,0.0049229423,0.0049229423,GGA+U,P-1,A7B4C24D6_aP41_2_a3i_2i_12i_3i:Co-H-O-P,41.0,"Invalid WP multiplicities - A7B4C24D6_aP41_2_a3i_2i_13i_3i:Co-H-O-P, expected Co7P6(H2O13)2 to be Co7P6(HO6)4" +mp-505217,Co2PHO5,-7.2332085522,-1.9269743636,0.0,-0.0084149575,GGA+U,Pnnm,A2BC5D_oP36_58_eg_g_3gh_g:Co-H-O-P,36.0,A2BC5D_oP36_58_eg_g_3gh_g:Co-H-O-P +mp-744710,CoPH3O5,-6.2030687297,-1.4597445304,0.3662057261,0.3662057261,GGA+U,P1,AB3C5D_aP60_1_6a_18a_30a_6a:Co-H-O-P,60.0,AB3C5D_aP60_1_6a_18a_30a_6a:Co-H-O-P +mp-1182617,CoPH3O5,-6.563111061,-1.8197868617,0.0061633947,0.0061633947,GGA+U,R-3,AB3C5D_hR180_148_f_3f_5f_f:Co-H-O-P,60.0,AB3C5D_hR180_148_f_3f_5f_f:Co-H-O-P +mp-1195386,FeC4N2O9,-7.0998357829,-0.4387188185,1.116652474,1.116652474,GGA+U,C2,A4BC2D9_mC96_5_6c_ac_3c_b13c:C-Fe-N-O,48.0,"Invalid WP multiplicities - A4BC2D9_mC96_5_12c_ac_3c_b25c:C-Fe-N-O, expected FeC8N2O17 to be FeC4N2O9" +mp-1225195,FeC3N3O2,-7.2002941789,0.6951369194,1.3816170773,1.3816170773,GGA+U,F-43m,A3BC3D2_cF72_216_f_ab_f_e:C-Fe-N-O,18.0,A3BC3D2_cF72_216_f_ab_f_e:C-Fe-N-O +mp-1189663,Er(CO3)2,-7.8663836483,-2.0102523081,0.2971596112,0.2971596112,GGA,Cm,A2BC6_mC36_8_2ab_b_6b:C-Er-O,18.0,A2BC6_mC36_8_2ab_b_6b:C-Er-O +mp-1213524,ErFeC6N6O5,-7.1690860403,0.3657637535,1.4407767496,1.4407767496,GGA+U,P6_3/m,A6BCD6E5_hP38_176_i_c_b_i_fh:C-Er-Fe-N-O,38.0,A6BCD6E5_hP38_176_i_c_b_i_fh:C-Er-Fe-N-O +mp-1199532,ErC3O8,-8.0970963035,-2.1114942221,0.0616507003,0.0616507003,GGA,P2_12_12_1,A3BC8_oP48_19_3a_a_8a:C-Er-O,48.0,A3BC8_oP48_19_3a_a_8a:C-Er-O +mp-1199851,ErC3O8,-7.9411469129,-1.9555448315,0.2176000909,0.2176000909,GGA,P2_12_12_1,A3BC8_oP48_19_3a_a_8a:C-Er-O,48.0,A3BC8_oP48_19_3a_a_8a:C-Er-O +mp-1192227,ErCO4,-8.0854147146,-2.4882248567,0.0877210564,0.0877210564,GGA,P2_12_12_1,ABC4_oP24_19_a_a_4a:C-Er-O,24.0,ABC4_oP24_19_a_a_4a:C-Er-O +mp-1196391,ErCO4,-8.1247723358,-2.5275824779,0.0483634351,0.0483634351,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Er-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Er-O +mp-1213505,Er2CO7,-7.6130624032,-2.3139699941,0.246061922,0.246061922,GGA,P2_1/c,AB2C7_mP40_14_e_2e_7e:C-Er-O,40.0,AB2C7_mP40_14_e_2e_7e:C-Er-O +mp-6574,Er2C(NO)2,-8.9316453557,-2.5130067293,0.0,-0.207940072,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Er-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Er-N-O +mp-1199768,ErFeC6(N3O2)2,-7.4950481578,0.1835883628,1.1696088542,1.1696088542,GGA+U,P2_1/m,A6BCD6E4_mP36_11_3f_e_a_3f_2ef:C-Er-Fe-N-O,36.0,A6BCD6E4_mP36_11_3f_e_a_3f_2ef:C-Er-Fe-N-O +mp-1236984,NaMg2(SO4)3,-6.4801562556,-2.2416729484,0.0014085625,-0.0063450958,GGA,C2/c,A2BC12D3_mC72_15_f_c_6f_ef:Mg-Na-O-S,36.0,A2BC12D3_mC72_15_f_c_6f_ef:Mg-Na-O-S +mp-1210333,NaMg2(SO4)3,-6.4815648181,-2.2430815109,0.0,-0.0077536583,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Mg-Na-O-S,36.0,A2BC12D3_hR108_167_c_b_2f_e:Mg-Na-O-S +mp-1213501,Na3C3S3O13,-5.8183974232,-0.8924940048000001,1.0164284097,1.0164284097,GGA,P2_1/c,A3B3C13D3_mP88_14_3e_3e_13e_3e:C-Na-O-S,88.0,A3B3C13D3_mP88_14_3e_3e_13e_3e:C-Na-O-S +mp-1196783,Na2Mg(SO6)2,-5.5287346921000005,-1.3005879329,0.4671135286,0.4671135286,GGA,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S +mp-1201138,Na2Mg(SO6)2,-5.6915790076,-1.4634322485,0.304269213,0.304269213,GGA,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S +mp-1201755,Na2Mg(SO6)2,-5.5093327526,-1.2811859935,0.486515468,0.486515468,GGA,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Mg-Na-O-S +mp-558427,Na6Mg(SO4)4,-6.1660175211,-2.2686749041,0.0,-0.012392784,GGA,P2_1/c,AB6C16D4_mP54_14_a_3e_8e_2e:Mg-Na-O-S,54.0,"Invalid WP multiplicities - AB6C16D4_mP54_14_a_8e_26e_6e:Mg-Na-O-S, expected Na16Mg(S3O13)4 to be Na6Mg(SO4)4" +mp-2714819,Na2Mg2(SO4)3,-6.4237657396,-2.3387539069,0.0033619304,0.0033619304,GGA,C2/c,A2B2C12D3_mC76_15_f_ce_6f_ef:Mg-Na-O-S,114.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_ae_72f_6e7f:Mg-Na-O-S, expected NaMg(S5O36)2 to be Na2Mg2(SO4)3" +mp-1106012,NaMgSO7,-5.494843139,-1.3262355201,0.4817147521,0.4817147521,GGA,P2_1/m,ABC7D_mP20_11_a_e_3e2f_e:Mg-Na-O-S,20.0,ABC7D_mP20_11_a_e_3e2f_e:Mg-Na-O-S +mp-6892,Na6Mg2C4SO16,-6.7852549236,-2.256501714,0.0,-0.0110688005,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Mg-Na-O-S,58.0,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Mg-Na-O-S +mp-540866,Na6Mg2C4SO16,-6.7613002797,-2.2325470701,0.023954644,0.0128858434,GGA,Fd-3m,A4B2C6D16E_cF232_227_e_c_f_eg_b:C-Mg-Na-O-S,58.0,A4B2C6D16E_cF232_227_e_c_f_eg_b:C-Mg-Na-O-S +mp-28810,Na2CS3,-4.77006787,-0.7228902567000001,0.0949059671,0.0949059671,GGA,C2/c,AB2C3_mC24_15_e_f_ef:C-Na-S,12.0,AB2C3_mC24_15_e_f_ef:C-Na-S +mp-1246355,Fe3Pb3N5,-6.9222100795,0.18965169,0.3612717832,0.3612717832,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Fe-N-Pb,22.0,A3B5C3_aP22_2_3i_5i_3i:Fe-N-Pb +mp-1199527,PbCNO6,-6.6063334133,-0.9443401072,0.3974666867,0.3974666867,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:C-N-O-Pb,36.0,ABC6D_mP36_14_e_e_6e_e:C-N-O-Pb +mp-1246920,Pb(C4N3)2,-8.2274143687,0.2766483353,0.2936561368,0.2936561368,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Pb,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Pb +mp-652092,Fe4Pb(CO)16,-7.7225670886,-0.5766644084,0.7075746342,0.7075746342,GGA+U,P2_1/c,A16B4C16D_mP148_14_16e_4e_16e_e:C-Fe-O-Pb,148.0,"Invalid WP multiplicities - A16B4C16D_mP148_14_62e_11e_59e_e:C-Fe-O-Pb, expected Fe11PbC62O59 to be Fe4Pb(CO)16" +mp-729063,Pb6CNO11,-6.3611784174,-1.4004090141,0.0676865482,0.0676865482,GGA,Pnma,ABC11D6_oP76_62_c_c_7c2d_6c:C-N-O-Pb,76.0,ABC11D6_oP76_62_c_c_7c2d_6c:C-N-O-Pb +mp-1196230,Pb3C6(N3O4)2,-7.5797600517,-0.7926985993000001,0.2602680243,0.2602680243,GGA,Cc,A6B6C8D3_mC92_9_6a_6a_8a_3a:C-N-O-Pb,46.0,A6B6C8D3_mC92_9_6a_6a_8a_3a:C-N-O-Pb +mp-619032,PbCN2,-7.4638985119,-0.0603229088,0.0034563469,-0.0603229088,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:C-N-Pb,16.0,"Invalid WP multiplicities - AB2C_oP16_33_a_4a_a:C-N-Pb, expected PbCN4 to be PbCN2" +mp-19727,PbCN2,-7.4673548588,-0.0637792556,0.0,-0.0637792556,GGA,Pnma,AB2C_oP16_62_c_2c_c:C-N-Pb,16.0,AB2C_oP16_62_c_2c_c:C-N-Pb +mp-1246881,Fe2PbN2,-7.378579774,0.086556094,0.338265564,0.338265564,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Fe-N-Pb,5.0,A2B2C_hP5_164_d_d_a:Fe-N-Pb +mp-1246742,Pb11(CN5)2,-5.8251966561,0.3774728224,0.3996569113,0.3996569113,GGA,P4_2/mnm,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Pb,46.0,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Pb +mp-640765,FePbC5N6O,-7.8085391454,0.2837218549,0.5562933447,0.5562933447,GGA+U,Pnma,A5BC6DE_oP56_62_c2d_c_2c2d_c_c:C-Fe-N-O-Pb,56.0,"Invalid WP multiplicities - A5BC6DE_oP56_62_3c10d_c_6c10d_c_c:C-Fe-N-O-Pb, expected FePbC23N26O to be FePbC5N6O" +mp-21239,FePb2(CN)6,-8.033134478,0.052617379,0.1285845603,0.1285845603,GGA,P-3,A6BC6D2_hP15_147_g_a_g_d:C-Fe-N-Pb,15.0,A6BC6D2_hP15_147_g_a_g_d:C-Fe-N-Pb +mp-1246391,Pb4CN4,-6.1197164194,0.2608650775,0.2892114133,0.2892114133,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Pb,36.0,AB4C4_oP36_62_c_4c_4c:C-N-Pb +mp-1246015,PbC7N10,-8.0844428339,0.3421268754,0.3563000433,0.3563000433,GGA,Pc,A7B10C_mP36_7_7a_10a_a:C-N-Pb,36.0,A7B10C_mP36_7_7a_10a_a:C-N-Pb +mp-669517,Pb(C2N3)2,-8.1315289111,0.1090418698,0.1322343264,0.1322343264,GGA,Pnma,A4B6C_oP44_62_4c_6c_c:C-N-Pb,44.0,"Invalid WP multiplicities - A4B6C_oP44_62_15c_23c_c:C-N-Pb, expected PbC15N23 to be Pb(C2N3)2" +mp-1246216,Fe2Pb3N4,-6.6522063539000005,0.1726784606,0.312517055,0.312517055,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Fe-N-Pb,18.0,A2B4C3_mC36_15_f_2f_ef:Fe-N-Pb +mp-1197284,B6Pb3O11F2,-7.5221299966,-2.5470924696,0.0603530804,0.0603530804,GGA,P2_1,A6B2C11D3_mP44_4_6a_2a_11a_3a:B-F-O-Pb,44.0,A6B2C11D3_mP44_4_6a_2a_11a_3a:B-F-O-Pb +mp-1202733,BPb2O3F,-6.6757760883,-2.2677430866,0.0,-0.005204088,GGA,P6_3/m,ABC3D2_hP42_176_h_bf_hi_i:B-F-O-Pb,42.0,ABC3D2_hP42_176_h_bf_hi_i:B-F-O-Pb +mp-1201056,BPb3O4F,-6.4747088339,-2.0840903013,0.0077147442,0.0077147442,GGA,Pbcm,ABC4D3_oP36_57_c_d_cde_de:B-F-O-Pb,36.0,ABC4D3_oP36_57_c_d_cde_de:B-F-O-Pb +mp-14941,Al2Pb3F12,-5.6929588737,-3.2478506101,0.0,-0.0020479783,GGA,P2_1/c,A2B12C3_mP68_14_2e_12e_3e:Al-F-Pb,68.0,"Invalid WP multiplicities - A2B12C3_mP68_14_2e_14e_3e:Al-F-Pb, expected Al2Pb3F14 to be Al2Pb3F12" +mp-1195003,B3Pb6O10F,-6.807223544,-2.1226023534,0.0017265437,0.0017265437,GGA,Pbcm,A3BC10D6_oP80_57_de_d_2d4e_2d2e:B-F-O-Pb,80.0,A3BC10D6_oP80_57_de_d_2d4e_2d2e:B-F-O-Pb +mp-1182634,B9Pb8O21F,-7.3848354233,-2.3692547977,0.0,-0.0031102747,GGA,R-3c,A9BC21D8_hR234_167_ef_b_e3f_cf:B-F-O-Pb,78.0,A9BC21D8_hR234_167_ef_b_e3f_cf:B-F-O-Pb +mp-1214948,AlPbF5,-5.7940814321000005,-3.3632788982,0.0031467868,0.0031467868,GGA,I4,AB5C_tI112_79_2abc_2ab9c_2c:Al-F-Pb,56.0,AB5C_tI112_79_2abc_2ab9c_2c:Al-F-Pb +mp-727215,AlPb3OF9,-5.4513195571,-2.8060683815000003,0.0280434916,0.0280434916,GGA,P2_1/c,AB9CD3_mP56_14_e_9e_e_3e:Al-F-O-Pb,56.0,AB9CD3_mP56_14_e_9e_e_3e:Al-F-O-Pb +mp-1203200,AlPb3OF9,-5.3255775987,-2.6803264231,0.15378545,0.15378545,GGA,P2_1/c,AB9CD3_mP56_14_e_9e_e_3e:Al-F-O-Pb,56.0,AB9CD3_mP56_14_e_9e_e_3e:Al-F-O-Pb +mp-1229224,AlB2Pb6(OF)7,-6.3223823133,-2.5229294636,0.0449998727,0.0449998727,GGA,Cmc2_1,AB2C7D7E6_oC92_36_a_b_3a2b_a3b_2a2b:Al-B-F-O-Pb,46.0,"Invalid WP multiplicities - AB2C7D7E6_oC92_36_a_b_5a7b_a8b_4a7b:Al-B-F-O-Pb, expected AlB2Pb18O17F19 to be AlB2Pb6(OF)7" +mp-6738,Al6B5(O5F)3,-7.9561201583,-3.2731828684,0.0,-0.0220875329,GGA,P6_3/m,A6B5C3D15_hP58_176_i_fh_h_h2i:Al-B-F-O,58.0,"Invalid WP multiplicities - A6B5C3D15_hP58_176_i_fh_h_h3i:Al-B-F-O, expected Al6B5(O7F)3 to be Al6B5(O5F)3" +mp-558703,Al3Pb5F19,-5.6586765880000005,-3.2098594316,0.0065777007,0.0065777007,GGA,P-1,A3B19C5_aP54_2_3i_ad18i_5i:Al-F-Pb,54.0,"Invalid WP multiplicities - A3B19C5_aP54_2_6i_ad35i_9i:Al-F-Pb, expected Al2Pb3F12 to be Al3Pb5F19" +mp-1199974,Al3Pb5F19,-5.657840125,-3.2090229686,0.0074141637,0.0074141637,GGA,P4/n,A3B19C5_tP216_85_2cf2g_ab2c18g_5g:Al-F-Pb,216.0,A3B19C5_tP216_85_2cf2g_ab2c18g_5g:Al-F-Pb +mp-558775,Al3Pb5F19,-5.6561368737,-3.2073197173,0.009117415,0.009117415,GGA,I4/m,A3B19C5_tI108_87_eh_ab3h3i_d2h:Al-F-Pb,54.0,"Invalid WP multiplicities - A3B19C5_tI108_87_eh_ab12h23i_2d6h:Al-F-Pb, expected Al3Pb14F117 to be Al3Pb5F19" +mp-541732,Al3Pb5F19,-5.6637769674000005,-3.214959811,0.0014773213,0.0014773213,GGA,I4cm,A3B19C5_tI108_108_ac_a3c3d_bd:Al-F-Pb,54.0,A3B19C5_tI108_108_ac_a3c3d_bd:Al-F-Pb +mp-557911,Al3Pb5F19,-5.6436098772,-3.1947927208,0.0216444114,0.0216444114,GGA,I4/mcm,A3B19C5_tI108_140_ah_c3him_bk:Al-F-Pb,54.0,"Invalid WP multiplicities - A3B19C5_tI108_140_a2h_2c10h7i12m_2b2k:Al-F-Pb, expected Al5Pb10F146 to be Al3Pb5F19" +mp-1047139,Ca2VWO6,-8.363645382,-2.7903085492,0.050911608,0.050911608,GGA+U,P-1,A2B6CD_aP10_2_i_3i_b_e:Ca-O-V-W,10.0,"Invalid WP multiplicities - A2B6CD_aP10_2_i_4i_b_e:Ca-O-V-W, expected Ca2VWO8 to be Ca2VWO6" +mp-1274301,Ca2VWO6,-8.3666793025,-2.7933424698,0.0478776875,0.0478776875,GGA+U,C2/m,A2B6CD_mC20_12_i_ij_a_d:Ca-O-V-W,20.0,"Invalid WP multiplicities - A2B6CD_mC20_12_i_i2j_a_d:Ca-O-V-W, expected Ca2VWO10 to be Ca2VWO6" +mp-1296431,Ca2VWO6,-8.3878882835,-2.8145514507,0.0266687065,0.0266687065,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-V-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-V-W +mp-1517032,CaEuVWO6,-9.115685088,-2.7172080633,0.0995193977,0.0995193977,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-W,,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-W +mp-1520585,Eu2VWO6,-9.964508145,-2.7408909283,0.0332776645,0.0332776645,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-W,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-W +mp-774853,Ti3NbV2(PO4)6,-8.5048368086,-2.8616163269,0.0369774051,0.0369774051,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Nb-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Nb-O-P-Ti-V, expected Ti3NbV2(PO10)6 to be Ti3NbV2(PO4)6" +mp-775224,NbV3(PO4)6,-8.2085429062,-2.6628556309,0.0035972138,0.0035972138,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Nb-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Nb-O-P-V, expected NbV3(PO10)6 to be NbV3(PO4)6" +mp-773161,NbV5(PO4)6,-8.3659776517,-2.6237226656,0.09647718,0.09647718,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Nb-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Nb-O-P-V, expected NbV5(PO10)6 to be NbV5(PO4)6" +mp-1102537,NbVP,-9.0841243708,-0.8846198319,0.0,-0.0811592675,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-P-V,12.0,ABC_oP12_62_c_c_c:Nb-P-V +mp-850405,Nb3V(PO4)6,-8.4533306515,-2.8477963779,0.0,-0.0228390238,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Nb-O-P-V,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Nb-O-P-V, expected Nb3V(PO10)6 to be Nb3V(PO4)6" +mp-1200205,Y4Si3O11F2,-8.8024530655,-3.7835344504,0.0121316374,0.0121316374,GGA,P-1,A2B11C3D4_aP40_2_2i_11i_3i_4i:F-O-Si-Y,40.0,A2B11C3D4_aP40_2_2i_11i_3i_4i:F-O-Si-Y +mp-1202176,LiY3Si2(O4F)2,-8.4351653697,-3.7129503765,0.0065773437,0.0065773437,GGA,C2/c,A2BC8D2E3_mC64_15_f_c_4f_f_ef:F-Li-O-Si-Y,32.0,A2BC8D2E3_mC64_15_f_c_4f_f_ef:F-Li-O-Si-Y +mp-14630,Y3Si3O10F,-8.8231832762,-3.7023754226,0.0116950721,0.0116950721,GGA,P2_1/c,AB10C3D3_mP68_14_e_10e_3e_3e:F-O-Si-Y,68.0,"Invalid WP multiplicities - AB10C3D3_mP68_14_e_12e_6e_3e:F-O-Si-Y, expected Y3Si6O12F to be Y3Si3O10F" +mp-1044661,Y4V13Si2(SbO14)2,-8.654792971,-2.5002504033,0.3020935817,0.3020935817,GGA+U,P-1,A28B2C2D13E4_aP49_2_14i_i_i_a6i_2i:O-Sb-Si-V-Y,49.0,A28B2C2D13E4_aP49_1_28a_2a_2a_13a_4a:O-Sb-Si-V-Y +mp-1157332,Y2V3(SiO4)3,-8.7563063695,-2.9652624164,0.1946518846,0.1946518846,GGA+U,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:O-Si-V-Y,80.0,A12B3C3D2_cI160_230_h_d_c_a:O-Si-V-Y +mp-1178743,Y4AlSi2(O2F)5,-8.133885963200001,-3.6117778589,0.1258359415,0.1258359415,GGA,Cm,AB5C10D2E4_mC44_8_a_a2b_2a4b_b_2b:Al-F-O-Si-Y,22.0,"Invalid WP multiplicities - AB5C10D2E4_mC44_8_a_a2b_2a6b_b_3b:Al-F-O-Si-Y, expected Y6AlSi2O14F5 to be Y4AlSi2(O2F)5" +mp-1201650,CaH4Ir(OF3)2,-5.3706194616000005,-2.1008202139,0.1070012507,0.1070012507,GGA,P2_1/c,AB6C4DE2_mP56_14_e_6e_4e_e_2e:Ca-F-H-Ir-O,56.0,AB6C4DE2_mP56_14_e_6e_4e_e_2e:Ca-F-H-Ir-O +mp-744840,ZrH8(NF3)2,-5.4658358898,-1.7110492636,0.2192398468,0.2192398468,GGA,Pca2_1,A6B8C2D_oP136_29_12a_16a_4a_2a:F-H-N-Zr,136.0,A6B8C2D_oP136_29_12a_16a_4a_2a:F-H-N-Zr +mp-1196825,ZrH12N5F4,-5.5256147925,-1.044305535,0.2031273376,0.2031273376,GGA,P4/ncc,A4B12C5D_tP88_130_g_3g_cg_a:F-H-N-Zr,88.0,A4B12C5D_tP88_130_g_3g_cg_a:F-H-N-Zr +mp-1203953,ZrH9N3F7,-5.6370108975,-1.7634072684,0.0676246514,0.0676246514,GGA,P2_1,A7B9C3D_mP80_4_14a_18a_6a_2a:F-H-N-Zr,80.0,A7B9C3D_mP80_4_14a_18a_6a_2a:F-H-N-Zr +mp-24508,ZrH3NF4,-6.3239468292,-2.4674702114,0.0,-0.0374437215,GGA,P-1,A4B3CD_aP36_2_8i_6i_2i_2i:F-H-N-Zr,36.0,"Invalid WP multiplicities - A4B3CD_aP36_2_12i_8i_3i_2i:F-H-N-Zr, expected Zr2H8(NF4)3 to be ZrH3NF4" +mp-1246060,Zr2AgN3,-8.7121563706,-1.2225826975,0.0842943436,0.0842943436,GGA,R-3m,AB3C2_hR18_166_a_bc_c:Ag-N-Zr,18.0,AB3C2_hP18_152_a_bc_c:Ag-N-Zr +mp-1203884,AgH12N4F,-4.9498849972,-0.5719557077,0.0358198572,0.0358198572,GGA,Pnna,ABC12D4_oP72_52_a_d_6e_2e:Ag-F-H-N,72.0,ABC12D4_oP72_52_a_d_6e_2e:Ag-F-H-N +mp-696650,KH2Au(Cl2O)2,-3.769363013,-0.923637303,0.2910019061,0.2910019061,GGA,Pbcn,AB4C2DE2_oP40_60_c_2d_d_c_d:Au-Cl-H-K-O,40.0,AB4C2DE2_oP40_60_c_2d_d_c_d:Au-Cl-H-K-O +mp-1212182,KAu(Cl2O)2,-3.1187209159,-0.4097452898,0.6738368194000001,0.6738368194000001,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:Au-Cl-K-O,32.0,AB4CD2_mP32_14_e_4e_e_2e:Au-Cl-K-O +mp-1224602,H9Au(ClO)4,-4.5149740428000005,-1.1266786044,0.0,-0.0066129703,GGA,P1,AB4C9D4_aP18_1_a_4a_9a_4a:Au-Cl-H-O,18.0,AB4C9D4_aP18_1_a_4a_9a_4a:Au-Cl-H-O +mp-18560,NpPO4F,-8.9482416707,-3.2254822421,0.0,-0.1608480951,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:F-Np-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:F-Np-O-P +mp-675011,CsPF6,-5.33738044,-3.1151831045,0.0,-0.2129741075,GGA,R-3m,AB6C_hR24_166_a_h_b:Cs-F-P,8.0,AB6C_hR24_166_a_h_b:Cs-F-P +mp-1193041,CsP(OF)2,-6.2302935275,-2.8927868215,0.0,-0.0206527311,GGA,Pnma,AB2C2D_oP24_62_c_2c_d_c:Cs-F-O-P,24.0,AB2C2D_oP24_62_c_2c_d_c:Cs-F-O-P +mp-6557,Cs2PO3F,-6.1772852254,-2.7550491751,0.0,-0.0302431086,GGA,Pnma,A2BC3D_oP28_62_2c_c_cd_c:Cs-F-O-P,28.0,A2BC3D_oP28_62_2c_c_cd_c:Cs-F-O-P +mp-572986,Cs2Np2PO4F7,-7.5450169272,-3.4033435378,0.0,-0.0570806192,GGA,P2_1/c,A2B7C2D4E_mP64_14_2e_7e_2e_4e_e:Cs-F-Np-O-P,64.0,"Invalid WP multiplicities - A2B7C2D4E_mP64_14_5e_26e_6e_13e_e:Cs-F-Np-O-P, expected Cs5Np6P(OF2)13 to be Cs2Np2PO4F7" +mp-27274,AsCF3,-5.4135497387,-1.4891055787,0.4925155163,0.4925155163,GGA,P4_2/nmc,ABC3_tP40_137_g_g_gh:As-C-F,40.0,"Invalid WP multiplicities - ABC3_tP40_137_g_g_g2h:As-C-F, expected AsCF5 to be AsCF3" +mp-555419,Te6As4C3(NF8)3,-5.1231006159,-1.7214184796,0.1953466241,0.1953466241,GGA,C2/m,A4B3C24D3E6_mC160_12_ac3i_ij_g9i7j_ij_3j:As-C-F-N-Te,80.0,"Invalid WP multiplicities - A4B3C24D3E6_mC160_12_ac5i_2i2j_2g18i27j_2i2j_9j:As-C-F-N-Te, expected Te9As3C3N3F37 to be Te6As4C3(NF8)3" +mp-558853,AsC3N3F8,-6.3528535223,-1.5097580958,0.0603132831,0.0603132831,GGA,C2/c,AB3C8D3_mC120_15_f_3f_8f_3f:As-C-F-N,60.0,"Invalid WP multiplicities - AB3C8D3_mC120_15_f_9f_28f_9f:As-C-F-N, expected AsC9N9F28 to be AsC3N3F8" +mp-1198106,AsC4N2F17,-5.4856375548,-1.7047245268,0.2997924758,0.2997924758,GGA,P2_1/m,AB4C17D2_mP48_11_e_4e_7e5f_2e:As-C-F-N,48.0,AB4C17D2_mP48_11_e_4e_7e5f_2e:As-C-F-N +mp-1195987,Te4N5F21,-4.0184821623,-0.8719236118,1.138552227,1.138552227,GGA,P-42_1c,A21B5C4_tP60_114_a5e_be_e:F-N-Te,60.0,A21B5C4_tP60_114_a5e_be_e:F-N-Te +mp-1214907,AsC18F17,-6.6388488153,-0.9924532676,0.3438914007,0.3438914007,GGA,Pbcn,AB18C17_oP144_60_c_2c8d_c8d:As-C-F,144.0,AB18C17_oP144_60_c_2c8d_c8d:As-C-F +mp-732021,AsC6NF4,-6.1317660565,0.2026941231,1.2557523329,1.2557523329,GGA,P2_1/c,AB6C4D_mP48_14_e_6e_4e_e:As-C-F-N,48.0,AB6C4D_mP48_14_e_6e_4e_e:As-C-F-N +mp-1078960,AsNF6,-4.2549166562,-1.1968557644,0.6614506132,0.6614506132,GGA,R-3,AB6C_hR24_148_a_f_b:As-F-N,8.0,AB6C_hR24_148_a_f_b:As-F-N +mp-685810,AsN2F7,-5.0099202756,-1.5386741728,0.0,-0.1040581416,GGA,Cm,AB7C2_mC100_8_5a_15a10b_10a:As-F-N,50.0,AB7C2_mC100_8_5a_15a10b_10a:As-F-N +mp-558138,Te2AsCNF6,-5.2600993607,-1.625575323,0.1169384076,0.1169384076,GGA,P2_1/c,ABC6DE2_mP44_14_e_e_6e_e_2e:As-C-F-N-Te,44.0,"Invalid WP multiplicities - ABC6DE2_mP44_14_e_e_20e_e_5e:As-C-F-N-Te, expected Te5AsCNF20 to be Te2AsCNF6" +mp-1214773,As(NF2)3,-4.184840708,-0.0710930095,1.4155520925,1.4155520925,GGA,P-1,AB6C3_aP10_2_b_3i_acf:As-F-N,10.0,AB6C3_aP10_2_b_3i_acf:As-F-N +mp-1204286,SbH36S4N11,-4.9677911266,-0.4578991554,0.0,-0.0328158427,GGA,P2_1,A36B11C4D_mP104_4_36a_11a_4a_a:H-N-S-Sb,104.0,A36B11C4D_mP104_4_36a_11a_4a_a:H-N-S-Sb +mp-782105,Na3SbH30S3N10,-4.8949746218,-0.5193861681,0.0013745222,0.0013745222,GGA,P2_1/c,A30B10C3D3E_mP188_14_30e_10e_3e_3e_e:H-N-Na-S-Sb,188.0,"Invalid WP multiplicities - A30B10C3D3E_mP188_14_119e_33e_5e_5e_e:H-N-Na-S-Sb, expected Na5SbH119S5N33 to be Na3SbH30S3N10" +mp-1245743,NaSbN2,-5.512491443,0.0186376529,0.3361710359,0.3361710359,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Na-Sb,64.0,A2BC_oP64_61_4c_2c_2c:N-Na-Sb +mp-1245746,NaSbN2,-5.5821511975,-0.0510221016,0.2665112814,0.2665112814,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Na-Sb,4.0,A2BC_hR12_166_c_a_b:N-Na-Sb +mp-1206628,Er2S2F,-5.010156952,-1.1461936878,1.7204724277,1.7204724277,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Er-F-S,5.0,A2BC2_tP5_123_g_a_g:Er-F-S +mp-555002,LiEr2S2O8F3,-7.0678549905,-3.0287795647,0.0141810281,0.0141810281,GGA,Pbcn,A2B3CD8E2_oP64_60_d_cd_c_4d_d:Er-F-Li-O-S,64.0,"Invalid WP multiplicities - A2B3CD8E2_oP64_60_d_4c5d_c_22d_d:Er-F-Li-O-S, expected LiEr2S2(O22F7)2 to be LiEr2S2O8F3" +mp-10932,ErSF,-6.838301505,-3.2997522902,0.0023622359,0.0023622359,GGA,P4/nmm,ABC_tP6_129_c_a_c:Er-F-S,6.0,ABC_tP6_129_c_a_c:Er-F-S +mp-1222286,LiErS2,-5.7128316525,-2.0254462999,0.080434985,0.017519961,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Er-Li-S,4.0,ABC2_tP4_123_a_d_bc:Er-Li-S +mp-35591,LiErS2,-5.784879175,-2.0974938224,0.0083874625,-0.0545275615,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Er-Li-S,8.0,ABC2_tI16_141_a_b_e:Er-Li-S +mp-15791,LiErS2,-5.7932666375,-2.1058812849,0.0,-0.062915024,GGA,R-3m,ABC2_hR12_166_a_b_c:Er-Li-S,4.0,ABC2_hR12_166_a_b_c:Er-Li-S +mp-1225522,Er3S3OF,-7.1742970363,-3.0529628226,0.052604874,0.052604874,GGA,I-4m2,A3BCD3_tI16_119_ae_c_d_be:Er-F-O-S,8.0,A3BCD3_tI16_119_ae_c_d_be:Er-F-O-S +mp-1211171,LiEr(SO4)2,-6.9247857929,-2.3978648679,0.168865226,0.168865226,GGA,P-4n2,ABC8D2_tP24_118_c_d_2i_f:Er-Li-O-S,24.0,ABC8D2_tP24_118_c_d_2i_f:Er-Li-O-S +mp-1225708,Er3S2OF3,-7.2270718756,-3.5984961225000003,0.0487045832,0.0487045832,GGA,Cc,A3B3CD2_mC36_9_3a_3a_a_2a:Er-F-O-S,18.0,"Invalid WP multiplicities - A3B3CD2_mC36_9_5a_5a_a_4a:Er-F-O-S, expected Er5S4OF5 to be Er3S2OF3" +mp-7744,LiSO3F,-6.0247238025,-2.2252374967,0.0,-0.0419496389,GGA,C2/m,ABC3D_mC24_12_i_g_ij_i:F-Li-O-S,12.0,"Invalid WP multiplicities - ABC3D_mC24_12_i_g_i2j_i:F-Li-O-S, expected LiSO5F to be LiSO3F" +mp-10559,Gd3AuO6,-10.60892694,-3.0906888413,0.0,-0.0132190657,GGA,P-1,AB3C6_aP10_2_a_bi_3i:Au-Gd-O,10.0,AB3C6_aP10_2_a_bi_3i:Au-Gd-O +mp-1192181,AuC4(N2O)2,-6.6501254695,0.9342291752,1.4170502475,1.4170502475,GGA,P2_1/c,AB4C4D2_mP22_14_a_2e_2e_e:Au-C-N-O,22.0,AB4C4D2_mP22_14_a_2e_2e_e:Au-C-N-O +mp-726128,AuC4(N2O)2,-6.9419326282,0.6424220166,1.1252430889,1.1252430889,GGA,P2_1/c,AB4C4D2_mP22_14_a_2e_2e_e:Au-C-N-O,22.0,AB4C4D2_mP22_14_a_2e_2e_e:Au-C-N-O +mp-623092,Gd4Au2O9,-9.962731402,-2.8045679779,0.0,-0.0063315889,GGA,Pbcn,A2B4C9_oP60_60_d_2d_c4d:Au-Gd-O,60.0,"Invalid WP multiplicities - A2B4C9_oP60_60_d_10d_4c27d:Au-Gd-O, expected Gd10AuO29 to be Gd4Au2O9" +mp-1196045,GdAu3C6(N2O)3,-7.3904822687,0.1952438828,0.9220194309,0.9220194309,GGA,P6_3/mcm,A3B6CD6E3_hP38_193_f_k_a_k_g:Au-C-Gd-N-O,38.0,A3B6CD6E3_hP38_193_f_k_a_k_g:Au-C-Gd-N-O +mp-1025163,Gd2C(NO)2,-11.56324064,-2.4279153193000003,0.0,-0.2375706406,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Gd-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Gd-N-O +mp-1191675,BaNp(PO4)2,-8.6305984379,-3.1916926609,0.0,-0.0544622752,GGA,C2/c,ABC8D2_mC48_15_c_e_4f_f:Ba-Np-O-P,24.0,ABC8D2_mC48_15_a_e_4f_f:Ba-Np-O-P +mp-510571,BaNpPH2O7,-7.9344061846,-2.7933786682,0.0110293158,0.0110293158,GGA,P2_1/c,AB2CD7E_mP48_14_e_2e_e_7e_e:Ba-H-Np-O-P,48.0,AB2CD7E_mP48_14_e_2e_e_7e_e:Ba-H-Np-O-P +mp-1214391,BaNpO4,-9.2416769271,-3.466092016,0.0,-0.4404515929,GGA,Pbcm,ABC4_oP24_57_d_a_cde:Ba-Np-O,24.0,ABC4_oP24_57_d_a_cde:Ba-Np-O +mp-1190517,BaNp(HO2)3,-7.4250236073,-2.450017696,0.0,-0.0349454062,GGA,P-1,AB3CD6_aP22_2_i_3i_be_6i:Ba-H-Np-O,22.0,AB3CD6_aP22_2_i_3i_be_6i:Ba-H-Np-O +mp-8558,BaNpO3,-9.31906119,-3.377697039,0.0,-0.086754072,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Ba-Np-O,5.0,ABC3_cP5_221_a_b_c:Ba-Np-O +mp-28551,H8CN6,-5.8950594247,-0.1357631978,0.195797228,0.195797228,GGA,P2_1/c,AB8C6_mP60_14_e_8e_6e:C-H-N,60.0,"Invalid WP multiplicities - AB8C6_mP60_14_e_11e_6e:C-H-N, expected H11CN6 to be H8CN6" +mp-1213393,H9C6N11,-7.1334221021,-0.3023462738,0.0,-0.0126497129,GGA,C2/c,A6B9C11_mC312_15_9f_e13f_e16f:C-H-N,156.0,A6B9C11_mC312_15_9f_e13f_e16f:C-H-N +mp-976247,H(C3N2)4,-8.2024276629,0.4084614493,0.4634008788,0.4634008788,GGA,Pm-3m,A12BC8_cP21_221_i_a_g:C-H-N,21.0,A12BC8_cP21_221_i_a_g:C-H-N +mp-24037,CoH9(CN2)3,-6.3231893147000005,-0.2522515133,0.0697478034,0.0697478034,GGA,R-3,A3BC9D6_hR114_148_f_ab_3f_2f:C-Co-H-N,38.0,"Invalid WP multiplicities - A3BC9D6_hR114_148_f_ab_7f_6f:C-Co-H-N, expected CoH21(CN6)3 to be CoH9(CN2)3" +mp-1202455,H9CN9,-6.1811948434,-0.1395288317,0.1518912551,0.1518912551,GGA,P-1,AB9C9_aP38_2_i_9i_9i:C-H-N,38.0,AB9C9_aP38_2_i_9i_9i:C-H-N +mp-28643,H9CN9,-6.1588762983,-0.1172102866,0.1742098002,0.1742098002,GGA,P2_1/c,AB9C9_mP76_14_e_9e_9e:C-H-N,76.0,"Invalid WP multiplicities - AB9C9_mP76_14_e_12e_10e:C-H-N, expected H12CN10 to be H9CN9" +mp-1188709,FeH2(CN2)2,-7.4939036706,-0.0429276722,0.2349959317,0.2349959317,GGA,Pnnm,A2BC2D4_oP18_58_g_a_g_2g:C-Fe-H-N,18.0,A2BC2D4_oP18_58_g_a_g_2g:C-Fe-H-N +mp-1202134,H5(C2N3)6,-8.0449950393,-0.1088657597,0.0559525287,0.0559525287,GGA,P1,A12B5C18_aP70_1_24a_10a_36a:C-H-N,70.0,A12B5C18_aP70_1_24a_10a_36a:C-H-N +mp-1198679,H5(C2N3)6,-8.0445936961,-0.1084644166,0.0563538719,0.0563538719,GGA,P-1,A12B5C18_aP70_2_12i_5i_18i:C-H-N,70.0,"Invalid WP multiplicities - A12B5C18_aP70_2_23i_9i_35i:C-H-N, expected H9C23N35 to be H5(C2N3)6" +mp-605048,H13(C5N)2,-6.1998234825,-0.0772201481,0.1470705296,0.1470705296,GGA,P2_1/c,A10B13C2_mP200_14_20e_26e_4e:C-H-N,200.0,"Invalid WP multiplicities - A10B13C2_mP200_14_78e_98e_12e:C-H-N, expected H49(C13N2)3 to be H13(C5N)2" +mp-30094,H2CN2,-6.7167792698,-0.1793577833,0.1390331803,0.1390331803,GGA,P2_1/c,AB2C2_mP40_14_2e_4e_4e:C-H-N,40.0,"Invalid WP multiplicities - AB2C2_mP40_14_4e_7e_4e:C-H-N, expected H7(CN)4 to be H2CN2" +mp-703527,H2CN2,-6.6683948023,-0.1309733158,0.1874176478,0.1874176478,GGA,Pbca,AB2C2_oP40_61_c_2c_2c:C-H-N,40.0,AB2C2_oP40_61_c_2c_2c:C-H-N +mp-510458,HCN,-7.0802164352,-0.094254281,0.1710715219,0.1710715219,GGA,P2_1/c,ABC_mP48_14_4e_4e_4e:C-H-N,48.0,ABC_mP48_14_4e_4e_4e:C-H-N +mp-644272,HCN,-6.7879130733,0.1980490808,0.4633748838,0.4633748838,GGA,Imm2,ABC_oI6_44_a_a_a:C-H-N,3.0,ABC_oI6_44_a_a_a:C-H-N +mp-644385,HCN,-6.7909633667,0.1949987875,0.4603245904,0.4603245904,GGA,I4mm,ABC_tI6_107_a_a_a:C-H-N,3.0,ABC_tI6_107_a_a_a:C-H-N +mp-1102232,HCN,-6.8717090767,0.1142530775,0.3795788804,0.3795788804,GGA,P2_13,ABC_cP12_198_a_a_a:C-H-N,12.0,ABC_cP12_198_a_a_a:C-H-N +mp-1201095,FeH4(CN)6,-7.4253436941,0.0706497115,0.3146545747,0.3146545747,GGA,P2_1/c,A6BC4D6_mP34_14_3e_a_2e_3e:C-Fe-H-N,34.0,A6BC4D6_mP34_14_3e_a_2e_3e:C-Fe-H-N +mp-1212563,H2CN5,-7.2499382878,-0.0378642619,0.1611300903,0.1611300903,GGA,C2/c,AB2C5_mC64_15_f_2f_5f:C-H-N,32.0,AB2C5_mC64_15_f_2f_5f:C-H-N +mp-1225107,H12C5N2,-5.3835238708,0.0653724372,0.343756296,0.343756296,GGA,Pmm2,A5B12C2_oP38_25_ef2gh_efgh4i_bce:C-H-N,38.0,A5B12C2_oP38_25_ef2gh_efgh4i_bce:C-H-N +mp-1197118,H5CN3,-5.9884962208,-0.2994094994,0.0653327897,0.0653327897,GGA,P2_12_12_1,AB5C3_oP36_19_a_5a_3a:C-H-N,36.0,AB5C3_oP36_19_a_5a_3a:C-H-N +mp-1196017,H5CN3,-6.0449008772,-0.3558141558,0.0089281333,0.0089281333,GGA,Pbca,AB5C3_oP144_61_2c_10c_6c:C-H-N,144.0,AB5C3_oP144_61_2c_10c_6c:C-H-N +mp-1181855,CoH2(CN2)2,-7.2801111444,0.0195644744,0.2472638733,0.2472638733,GGA,Pnnm,A2BC2D4_oP18_58_g_a_g_2g:C-Co-H-N,18.0,A2BC2D4_oP18_58_g_a_g_2g:C-Co-H-N +mp-1198776,HC2N3,-7.9956559181,-0.1857322839,0.0065557193,-0.023471595,GGA,P1,A2BC3_aP72_1_24a_12a_36a:C-H-N,72.0,A2BC3_aP72_1_24a_12a_36a:C-H-N +mp-1200473,HC2N3,-7.9977405275,-0.1878168933,0.0044711099,-0.0255562044,GGA,P1,A2BC3_aP72_1_24a_12a_36a:C-H-N,72.0,A2BC3_aP72_1_24a_12a_36a:C-H-N +mp-1197681,HC2N3,-7.9949822122,-0.1850585781,0.0072294251,-0.0227978892,GGA,P-1,A2BC3_aP72_2_12i_6i_18i:C-H-N,72.0,"Invalid WP multiplicities - A2BC3_aP72_2_23i_10i_35i:C-H-N, expected H10C23N35 to be HC2N3" +mp-1199197,HC2N3,-7.9982229782,-0.188299344,0.0039886592,-0.0260386551,GGA,Pm,A2BC3_mP72_6_24a_12a_36a:C-H-N,72.0,A2BC3_oP72_26_24a_12a_36a:C-H-N +mp-1103408,HC2N3,-7.7124498458,0.0974737883,0.2897617915,0.2597344772,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:C-H-N,12.0,A2BC3_oC24_36_b_a_ab:C-H-N +mp-1200980,HC2N3,-8.0022116374,-0.1922880032,0.0,-0.0300273143,GGA,Cm,A2BC3_mC144_8_24a_12a_36a:C-H-N,,A2BC3_oC144_39_24c_12c_36c:C-H-N +mp-1201974,HC2N3,-7.9997131546,-0.1897895204,0.0024984828,-0.0275288315,GGA,Cm,A2BC3_mC144_8_24a_12a_36a:C-H-N,72.0,A2BC3_oC144_36_24a_12a_36a:C-H-N +mp-1202251,HC2N3,-7.9967120415,-0.1867884074,0.0054995958,-0.0245277185,GGA,Pbam,A2BC3_oP72_55_6g_3g_9g:C-H-N,72.0,A2BC3_oP72_55_12g_6g_18g:C-H-N +mp-1212626,H2C2N3,-7.2207164982,-0.0418210911,0.2256130175,0.2256130175,GGA,Pnma,A2B2C3_oP56_62_2d_2cd_2c2d:C-H-N,56.0,A2B2C3_oP56_62_2d_2cd_2c2d:C-H-N +mp-1212579,H3C3N5,-7.497031058,-0.2655174909,0.0,-0.0081950551,GGA,P2_1/c,A3B3C5_mP88_14_6e_6e_10e:C-H-N,88.0,A3B3C5_mP88_14_6e_6e_10e:C-H-N +mp-570847,CoH3(CN)6,-7.5010820925,0.1662590597,0.3580376772,0.3580376772,GGA,P-31m,A6BC3D6_hP16_162_k_a_g_k:C-Co-H-N,16.0,A6BC3D6_hP16_162_k_a_g_k:C-Co-H-N +mp-505732,FeCoH18(CN2)6,-6.3402823326,-0.2335102308,0.0958751505,0.0958751505,GGA,R-3,A6BCD18E12_hR114_148_f_a_b_3f_2f:C-Co-Fe-H-N,38.0,A6BCD18E12_hR114_148_f_a_b_3f_2f:C-Co-Fe-H-N +mp-738714,LiHCO2,-6.5141651522,-1.6294267869,0.1044537622,0.1044537622,GGA,C2/c,ABCD2_mC160_15_4f_4f_4f_8f:C-H-Li-O,80.0,ABCD2_mC160_15_4f_4f_4f_8f:C-H-Li-O +mp-1210976,LiH(CO2)2,-6.775948545,-1.3327317023,0.4148226153,0.4148226153,GGA,P1,A2BCD4_aP8_1_2a_a_a_4a:C-H-Li-O,8.0,A2BCD4_aP8_1_2a_a_a_4a:C-H-Li-O +mp-556503,LiH3CO3,-6.0147384159,-1.4952593374,0.0691862634,0.0691862634,GGA,Pna2_1,AB3CD3_oP32_33_a_3a_a_3a:C-H-Li-O,32.0,"Invalid WP multiplicities - AB3CD3_oP32_33_a_11a_a_7a:C-H-Li-O, expected LiH11CO7 to be LiH3CO3" +mp-643656,Li5H9Pt2,-3.7800702728,-0.5162318117,0.0,-0.0999294997,GGA,I4/mcm,A9B5C2_tI64_140_dm_cl_h:H-Li-Pt,32.0,A9B5C2_tI64_140_dm_cl_h:H-Li-Pt +mp-1104879,Li2H6PtO6,-5.4097519493,-1.4147207766,0.0277623524,0.0277623524,GGA,P-3,A6B2C6D_hP15_147_g_d_g_a:H-Li-O-Pt,15.0,A6B2C6D_hP15_147_g_d_g_a:H-Li-O-Pt +mp-1210772,Li2H6PtO6,-5.3737244227,-1.3786932499,0.0637898791,0.0637898791,GGA,P-31m,A6B2C6D_hP15_162_k_c_k_a:H-Li-O-Pt,15.0,A6B2C6D_hP15_162_k_c_k_a:H-Li-O-Pt +mp-1102469,LiH3C2O5,-6.5956986918,-1.5704372788,0.0501624123,0.0501624123,GGA,P1,A2B3CD5_aP11_1_2a_3a_a_5a:C-H-Li-O,11.0,A2B3CD5_aP11_1_2a_3a_a_5a:C-H-Li-O +mp-1078552,Li2H6Pt,-3.7161379433,-0.3555451296,0.011956558,0.011956558,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:H-Li-Pt,9.0,A6B2C_cF36_225_e_c_a:H-Li-Pt +mp-644136,Li2H2Pt,-3.82886032,-0.4939740913,0.0424404028,0.0424404028,GGA,Immm,A2B2C_oI10_71_e_e_a:H-Li-Pt,5.0,A2B2C_oI10_71_e_e_a:H-Li-Pt +mp-2661453,Li2H2Pt,-3.82699388,-0.4921076513,0.0443068428,0.0443068428,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:H-Li-Pt,5.0,A2B2C_tI10_139_e_e_a:H-Li-Pt +mp-644256,LiH2CO3,-5.9283731539,-1.2479293564,0.4549623187,0.4549623187,GGA,Pna2_1,AB2CD3_oP28_33_a_2a_a_3a:C-H-Li-O,28.0,AB2CD3_oP28_33_a_2a_a_3a:C-H-Li-O +mp-1198280,Li2H32Pt(C6O)2,-5.1338833178,-0.2544225867,0.158837876,0.158837876,GGA,Pbca,A12B32C2D2E_oP392_61_12c_32c_2c_2c_c:C-H-Li-O-Pt,392.0,A12B32C2D2E_oP392_61_12c_32c_2c_2c_c:C-H-Li-O-Pt +mp-699213,CsZn2P2HO8,-6.4613314321,-2.3750649793,0.0,-0.0192276279,GGA,Cmce,ABC8D2E2_oC56_64_a_b_2fg_f_e:Cs-H-O-P-Zn,28.0,ABC8D2E2_oC56_64_a_b_2fg_f_e:Cs-H-O-P-Zn +mp-1196256,Cs2Zn5P6(HO2)14,-6.1588345318,-2.0392929613,0.0040847911,0.0040847911,GGA,P-1,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn,55.0,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn +mp-1238553,Cs2Zn5P6(HO2)14,-5.9531463476,-1.8336047771,0.2097729753,0.2097729753,GGA,P-1,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn,55.0,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn +mp-1363241,Cs2Zn5P6(HO2)14,-2.8619180475,1.2576235231,3.3010012755,3.3010012755,GGA,P-1,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn,55.0,A2B14C28D6E5_aP55_2_i_7i_14i_3i_a2i:Cs-H-O-P-Zn +mp-1199227,S3N3Cl3O2,-5.2164862406,-0.4112297153,0.2779578724,0.2779578724,GGA,P2_1/c,A3B3C2D3_mP88_14_6e_6e_4e_6e:Cl-N-O-S,88.0,A3B3C2D3_mP88_14_6e_6e_4e_6e:Cl-N-O-S +mp-1191290,Hg2SN2Cl4O3,-3.7727349325,-0.1351504974,0.8959303743,0.8959303743,GGA,P2_1/m,A4B2C2D3E_mP24_11_4e_2e_2e_ef_e:Cl-Hg-N-O-S,24.0,A4B2C2D3E_mP24_11_4e_2e_2e_ef_e:Cl-Hg-N-O-S +mp-1200310,HgS2(NO3)2,-5.1456800934,-0.152070801,1.0754178912,1.0754178912,GGA,P2_12_12_1,AB2C6D2_oP44_19_a_2a_6a_2a:Hg-N-O-S,44.0,AB2C6D2_oP44_19_a_2a_6a_2a:Hg-N-O-S +mp-1192108,S2(NO2)3,-5.4929013809,0.2309637806,1.3788971217,1.3788971217,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:N-O-S,22.0,A3B6C2_mC44_15_ef_3f_f:N-O-S +mp-1201009,SNO4,-5.4437399308,-0.0671233247,1.1569309982,1.1569309982,GGA,Pc,AB4C_mP48_7_4a_16a_4a:N-O-S,48.0,AB4C_mP48_7_4a_16a_4a:N-O-S +mp-725918,SNO4,-5.1999618287,0.1766547774,1.4007091003,1.4007091003,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:N-O-S,24.0,AB4C_mP24_14_e_4e_e:N-O-S +mp-29224,S3N2O5,-6.3292415250000005,-0.9476632243,0.1946201921,0.1946201921,GGA,P2_1/c,A2B5C3_mP40_14_2e_5e_3e:N-O-S,40.0,A2B5C3_mP40_14_2e_5e_3e:N-O-S +mp-728300,SN2O3,-5.2835603131,0.6580239953,1.7102962247,1.7102962247,GGA,Pbca,A2B3C_oP48_61_2c_3c_c:N-O-S,48.0,A2B3C_oP48_61_2c_3c_c:N-O-S +mp-672675,SNClO4,-5.0541702739,-0.1815650887,0.9408657832,0.9408657832,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cl-N-O-S,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Cl-N-O-S, expected SNClO13 to be SNClO4" +mp-1192852,SNClO4,-5.9590527754,-1.0864475901,0.0359832817,0.0359832817,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cl-N-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:Cl-N-O-S +mp-540558,S5N4O3,-6.0833052781,-0.3442806808,0.2268610274,0.2268610274,GGA,P2_1/c,A4B3C5_mP48_14_4e_3e_5e:N-O-S,48.0,A4B3C5_mP48_14_4e_3e_5e:N-O-S +mp-729158,S2N3ClO6,-5.105458205,0.2954629147,1.3904593245,1.3904593245,GGA,Pbam,AB3C6D2_oP48_55_h_g2h_2g2i_2g:Cl-N-O-S,48.0,AB3C6D2_oP48_55_h_g2h_2g2i_2g:Cl-N-O-S +mp-1196285,S(NO)2,-5.6438490752,0.4967143527,1.4105410858,1.4105410858,GGA,P2_1/c,A2B2C_mP60_14_6e_6e_3e:N-O-S,60.0,A2B2C_mP60_14_6e_6e_3e:N-O-S +mp-1192535,HgSNClO3,-4.4497828314,-0.2404645528,0.9403957442,0.9403957442,GGA,Pnma,ABCD3E_oP28_62_c_c_c_cd_c:Cl-Hg-N-O-S,28.0,ABCD3E_oP28_62_c_c_c_cd_c:Cl-Hg-N-O-S +mp-1199229,S(N3O5)2,-5.4543384785,0.6410913173,1.4368843352,1.4368843352,GGA,P2_1/c,A6B10C_mP68_14_6e_10e_e:N-O-S,68.0,A6B10C_mP68_14_6e_10e_e:N-O-S +mp-667281,SNClO,-5.3367051583,-0.5196626176,0.3024732405,0.3024732405,GGA,P2_1/c,ABCD_mP48_14_3e_3e_3e_3e:Cl-N-O-S,48.0,"Invalid WP multiplicities - ABCD_mP48_14_9e_9e_11e_8e:Cl-N-O-S, expected S8N9Cl9O11 to be SNClO" +mp-558844,SNClO,-5.355142136,-0.5380995953000001,0.2840362628,0.2840362628,GGA,Pnma,ABCD_oP48_62_cd_cd_cd_cd:Cl-N-O-S,48.0,"Invalid WP multiplicities - ABCD_oP48_62_4c5d_4c4d_4c3d_4c4d:Cl-N-O-S, expected S6N6Cl7O5 to be SNClO" +mp-555567,S5N2ClO6,-5.8493507575,-0.9290716067,0.1217410788,0.1217410788,GGA,P-1,AB2C6D5_aP28_2_i_2i_6i_5i:Cl-N-O-S,28.0,"Invalid WP multiplicities - AB2C6D5_aP28_2_i_2i_10i_10i:Cl-N-O-S, expected S10N2ClO10 to be S5N2ClO6" +mp-28474,S7(N3O4)2,-6.2667882033,-0.6216630458,0.2486481286,0.2486481286,GGA,P-42_1m,A6B8C7_tP42_113_ef_2f_cef:N-O-S,42.0,"Invalid WP multiplicities - A6B8C7_tP42_113_e2f_3f_2cef:N-O-S, expected S4N5O6 to be S7(N3O4)2" +mp-734059,SNO3,-5.7047307498,-0.2421285646,1.0205981106,1.0205981106,GGA,Pbca,AB3C_oP40_61_c_3c_c:N-O-S,40.0,AB3C_oP40_61_c_3c_c:N-O-S +mp-1179633,S2NO9,-5.8467913204,-0.7526585654,0.5050607610000001,0.5050607610000001,GGA,P-1,AB9C2_aP24_2_i_9i_2i:N-O-S,24.0,AB9C2_aP24_2_i_9i_2i:N-O-S +mp-1191172,S2NO9,-6.3414981646,-1.2473654096,0.0103539168,0.0103539168,GGA,P-1,AB9C2_aP24_2_i_9i_2i:N-O-S,24.0,AB9C2_aP24_2_i_9i_2i:N-O-S +mp-558667,S3N3ClO2,-5.8143287106,-0.3520233263,0.2672111476,0.2672111476,GGA,C2/c,AB3C2D3_mC72_15_f_3f_2f_3f:Cl-N-O-S,36.0,"Invalid WP multiplicities - AB3C2D3_mC72_15_f_10f_5f_9f:Cl-N-O-S, expected S9N10ClO5 to be S3N3ClO2" +mp-669471,HgS4(NCl)3,-4.5069895102,-0.1974827295,0.1641272828,0.1641272828,GGA,P2_1/c,A3BC3D4_mP44_14_3e_e_3e_4e:Cl-Hg-N-S,44.0,"Invalid WP multiplicities - A3BC3D4_mP44_14_11e_e_8e_12e:Cl-Hg-N-S, expected HgS12N8Cl11 to be HgS4(NCl)3" +mp-1181082,HgSNCl,-3.4934398137,0.1628506405,0.6613247982,0.6613247982,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Cl-Hg-N-S,16.0,ABCD_oP16_62_c_c_c_c:Cl-Hg-N-S +mp-540798,S3(NO7)2,-6.4319795718,-1.256401603,0.0,-0.0278014233,GGA,Cc,A2B14C3_mC76_9_2a_14a_3a:N-O-S,38.0,A2B14C3_mC76_9_2a_14a_3a:N-O-S +mp-3496,S3(NO)2,-6.0272840314,-0.4593244781,0.1934089027,0.1934089027,GGA,C2/c,A2B2C3_mC28_15_f_f_ef:N-O-S,14.0,A2B2C3_mC28_15_f_f_ef:N-O-S +mp-556439,S3(NO)2,-5.6078814271,-0.0399218738,0.6128115070000001,0.6128115070000001,GGA,C2/c,A2B2C3_mC28_15_f_f_ef:N-O-S,14.0,"Invalid WP multiplicities - A2B2C3_mC28_15_f_f_e2f:N-O-S, expected S5(NO)2 to be S3(NO)2" +mp-1179642,S(NO2)2,-6.4594135761,-0.6599572101,0.3892322095,0.3892322095,GGA,P1,A2B4C_aP28_1_8a_16a_4a:N-O-S,28.0,A2B4C_aP28_1_8a_16a_4a:N-O-S +mp-726806,S(NO2)2,-5.1119915386,0.6874648274,1.7366542470000002,1.7366542470000002,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:N-O-S,28.0,A2B4C_oP28_62_2c_2cd_c:N-O-S +mp-1209135,S3(NO2)2,-6.0742904172,-0.644391051,0.3709719858,0.3709719858,GGA,P2_1/c,A2B4C3_mP36_14_2e_4e_3e:N-O-S,36.0,A2B4C3_mP36_14_2e_4e_3e:N-O-S +mp-734027,S2N3O8,-5.2794929615,0.3248065922,1.4547028903,1.4547028903,GGA,P1,A3B8C2_aP52_1_12a_32a_8a:N-O-S,52.0,A3B8C2_aP52_1_12a_32a_8a:N-O-S +mp-1179730,S2N3O8,-6.113833544,-0.5095339903,0.6203623078,0.6203623078,GGA,P2,A3B8C2_mP52_3_abcd4e_16e_4e:N-O-S,52.0,A3B8C2_mP52_3_abcd4e_16e_4e:N-O-S +mp-540808,S4N4O3,-5.92391435,-0.0392011408,0.5838625409,0.5838625409,GGA,P2_1/c,A4B3C4_mP44_14_4e_3e_4e:N-O-S,44.0,A4B3C4_mP44_14_4e_3e_4e:N-O-S +mp-728451,SN4O5,-5.8465166205,0.3750706918,1.2125725417,1.2125725417,GGA,Pnma,A4B5C_oP40_62_2cd_3cd_c:N-O-S,40.0,A4B5C_oP40_62_2cd_3cd_c:N-O-S +mp-1196705,S6N5O4,-5.9325378907,-0.1800093126,0.4292085095,0.4292085095,GGA,P2_1/c,A5B4C6_mP60_14_5e_4e_6e:N-O-S,60.0,A5B4C6_mP60_14_5e_4e_6e:N-O-S +mp-1209258,S6N5O4,-6.1088817688,-0.3563531908,0.2528646313,0.2528646313,GGA,P2_1/c,A5B4C6_mP60_14_5e_4e_6e:N-O-S,60.0,A5B4C6_mP60_14_5e_4e_6e:N-O-S +mp-1189737,Hg2SN(ClO)3,-3.799134245,-0.4525360814,0.6770329807000001,0.6770329807000001,GGA,Cmc2_1,A3B2CD3E_oC40_36_3a_2a_a_ab_a:Cl-Hg-N-O-S,20.0,A3B2CD3E_oC40_36_3a_2a_a_ab_a:Cl-Hg-N-O-S +mp-557302,S2NO,-5.7683499894,-0.3793291469,0.1918125613,0.1918125613,GGA,P-1,ABC2_aP16_2_2i_2i_4i:N-O-S,16.0,"Invalid WP multiplicities - ABC2_aP16_2_3i_4i_6i:N-O-S, expected S6N3O4 to be S2NO" +mp-504826,S2N2O,-6.1577335097,-0.1792178507,0.2776955158,0.2776955158,GGA,P2_1/c,A2BC2_mP40_14_4e_2e_4e:N-O-S,40.0,A2BC2_mP40_14_4e_2e_4e:N-O-S +mp-1199189,SN8O13,-5.526964302,0.6155521758,1.3710321298,1.3710321298,GGA,P2_1,A8B13C_mP44_4_8a_13a_a:N-O-S,44.0,A8B13C_mP44_4_8a_13a_a:N-O-S +mp-1203684,S3N3Cl3O,-5.0382093073,-0.2470960006,0.2769601619,0.2769601619,GGA,P2_1/c,A3B3CD3_mP80_14_6e_6e_2e_6e:Cl-N-O-S,80.0,A3B3CD3_mP80_14_6e_6e_2e_6e:Cl-N-O-S +mp-557420,KBaB5O9,-8.0091203827,-2.9499621863,0.0,-0.0108861436,GGA,P2_1/c,A5BCD9_mP64_14_5e_e_e_9e:B-Ba-K-O,64.0,"Invalid WP multiplicities - A5BCD9_mP64_14_16e_e_e_34e:B-Ba-K-O, expected KBa(B8O17)2 to be KBaB5O9" +mp-1019786,K3Zn(BO2)5,-7.2550711792,-2.6521876835,0.0,-0.0066430308,GGA,P2_1/c,A5B3C10D_mP76_14_5e_3e_10e_e:B-K-O-Zn,76.0,A5B3C10D_mP76_14_5e_3e_10e_e:B-K-O-Zn +mp-6652,KZn4(BO3)3,-6.4860959847,-2.3268167435,0.0108281888,0.0108281888,GGA,P2/c,A3BC9D4_mP34_13_eg_f_e4g_2g:B-K-O-Zn,34.0,"Invalid WP multiplicities - A3BC9D4_mP34_13_eg_f_e6g_2g:B-K-O-Zn, expected KZn4B3O13 to be KZn4(BO3)3" +mp-1223606,KBa2Zn3B9O19,-7.5533250926,-2.7642312365,0.0072490011,0.0072490011,GGA,P-1,A9B2CD19E3_aP68_2_9i_2i_i_19i_3i:B-Ba-K-O-Zn,68.0,A9B2CD19E3_aP68_2_9i_2i_i_19i_3i:B-Ba-K-O-Zn +mp-1191459,KZn(BO2)3,-7.3708365845,-2.6355229357,0.0,-0.006002764,GGA,P-1,A3BC6D_aP22_2_3i_i_6i_i:B-K-O-Zn,22.0,A3BC6D_aP22_2_3i_i_6i_i:B-K-O-Zn +mp-1517737,KSrSbWO6,-7.2346007227,-2.277885109,0.1281636209,0.1281636209,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_e_cd_f:K-O-Sb-Sr-W,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_2a2b_6m_e_cd_f:K-O-Sb-Sr-W, expected K2SrSbWO12 to be KSrSbWO6" +mp-1517801,KSrSbWO6,-7.228686249,-2.2719706352,0.1340780947,0.1340780947,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sb-Sr-W +mp-1223347,KSbWO6,-7.4719661928,-2.1522258945,0.0,-0.0293443379,GGA+U,Ima2,AB6CD_oI36_46_b_2b2c_a_b:K-O-Sb-W,18.0,"Invalid WP multiplicities - AB6CD_oI36_46_b_4b6c_a_b:K-O-Sb-W, expected KSbWO16 to be KSbWO6" +mp-1229230,Ag4C(NO3)3,-5.8156554041,-0.5163275993,0.2720541829,0.2720541829,GGA,P-1,A4BC3D9_aP34_2_4i_i_3i_9i:Ag-C-N-O,34.0,"Invalid WP multiplicities - A4BC3D9_aP34_2_7i_i_6i_18i:Ag-C-N-O, expected Ag7C(NO3)6 to be Ag4C(NO3)3" +mp-667508,AgC3N3O2,-7.3123745583,-0.0433284829,0.546786161,0.546786161,GGA,P1,AB3C3D2_aP144_1_16a_48a_48a_32a:Ag-C-N-O,144.0,"Invalid WP multiplicities - AB3C3D2_mC288_15_13f_46f_47f_29f:Ag-C-N-O, expected Ag13C46N47O29 to be AgC3N3O2" +mp-1183029,AgC3N3O2,-7.3107479496,-0.0417018742,0.5484127697,0.5484127697,GGA,C2/c,AB3C3D2_mC288_15_4f_12f_12f_8f:Ag-C-N-O,144.0,"Invalid WP multiplicities - AB3C3D2_mC288_15_13f_46f_47f_29f:Ag-C-N-O, expected Ag13C46N47O29 to be AgC3N3O2" +mp-560460,AgCN3O2,-6.8860677282000005,-0.1769129149,0.5818059130000001,0.5818059130000001,GGA,Pbcm,ABC3D2_oP28_57_d_d_3d_2d:Ag-C-N-O,28.0,"Invalid WP multiplicities - ABC3D2_oP28_57_d_d_7d_4d:Ag-C-N-O, expected AgCN7O4 to be AgCN3O2" +mp-1204116,SrAg2C4(N2O)2,-6.508572626,0.2228600319,1.0218308976,1.0218308976,GGA,Pbcm,A2B4C4D2E_oP52_57_ac_2e_2e_2d_d:Ag-C-N-O-Sr,52.0,A2B4C4D2E_oP52_57_ac_2e_2e_2d_d:Ag-C-N-O-Sr +mp-650510,AgC3N3O,-7.3951203909,0.1642203549,0.4961598421,0.4961598421,GGA,Pbca,AB3C3D_oP64_61_c_3c_3c_c:Ag-C-N-O,64.0,"Invalid WP multiplicities - AB3C3D_oP64_61_c_21c_19c_c:Ag-C-N-O, expected AgC21N19O to be AgC3N3O" +mp-6781,AgCNO,-6.8495178213,-0.5134165382,0.1504624361,0.1504624361,GGA,P2_1/m,ABCD_mP8_11_a_e_e_e:Ag-C-N-O,8.0,ABCD_mP8_11_a_e_e_e:Ag-C-N-O +mp-545730,AgCNO,-6.1682236125,0.1678776705,0.8317566449,0.8317566449,GGA,Pmmn,ABCD_oP8_59_b_a_a_a:Ag-C-N-O,8.0,ABCD_oP8_59_b_a_a_a:Ag-C-N-O +mp-6070,AgCNO,-6.2592410013,0.0768602818,0.7407392561,0.7407392561,GGA,Cmcm,ABCD_oC16_63_a_c_c_c:Ag-C-N-O,8.0,ABCD_oC16_63_a_c_c_c:Ag-C-N-O +mp-561891,AgCNO,-4.1493746025,2.1867266805,2.8506056549,2.8506056549,GGA,Cmmm,ABCD_oC8_65_a_b_d_c:Ag-C-N-O,4.0,ABCD_oC8_65_a_b_d_c:Ag-C-N-O +mp-1182972,AgCNO,-4.2796793262,2.0564219568,2.7203009311,2.7203009311,GGA,Cmmm,ABCD_oC8_65_a_b_d_c:Ag-C-N-O,8.0,ABCD_oC8_65_a_b_d_c:Ag-C-N-O +mp-6814,AgCNO,-6.2681666821,0.0679346009,0.7318135753,0.7318135753,GGA,R-3,ABCD_hR72_148_f_f_f_f:Ag-C-N-O,24.0,ABCD_hR72_148_f_f_f_f:Ag-C-N-O +mp-1229212,Ag3C(NO2)3,-5.9928080938,-0.4223503596,0.3455874246,0.3455874246,GGA,Pc,A3BC3D6_mP26_7_3a_a_3a_6a:Ag-C-N-O,26.0,A3BC3D6_mP26_7_3a_a_3a_6a:Ag-C-N-O +mp-1214975,Ag3C2(NO3)2,-5.8477897288000005,-0.2087034894,0.7959063434,0.7959063434,GGA,P2_1/c,A3B2C2D6_mP26_14_ae_e_e_3e:Ag-C-N-O,26.0,A3B2C2D6_mP26_14_ae_e_e_3e:Ag-C-N-O +mp-1198382,CoB10H23C13,-5.8502690845,-0.0650012985,0.1317312265,0.1317312265,GGA,P-1,A10B13CD23_aP94_2_10i_13i_i_23i:B-C-Co-H,94.0,A10B13CD23_aP94_2_10i_13i_i_23i:B-C-Co-H +mp-1202054,CoB10H23C13,-5.8534487552000005,-0.0681809692,0.1285515558,0.1285515558,GGA,P2_1/c,A10B13CD23_mP188_14_10e_13e_e_23e:B-C-Co-H,188.0,A10B13CD23_mP188_14_10e_13e_e_23e:B-C-Co-H +mp-1195847,CoB10H19C11,-5.9029142938,-0.0521984212,0.1423024124,0.1423024124,GGA,P-1,A10B11CD19_aP82_2_10i_11i_i_19i:B-C-Co-H,82.0,A10B11CD19_aP82_2_10i_11i_i_19i:B-C-Co-H +mp-1204917,CoB10(H7C4)3,-5.8793293012,-0.0635686567,0.132124103,0.132124103,GGA,P-1,A10B12CD21_aP88_2_10i_12i_i_21i:B-C-Co-H,88.0,A10B12CD21_aP88_2_10i_12i_i_21i:B-C-Co-H +mp-1196618,CoB10H21(C6Cl)2,-5.7457049367,-0.1024322916,0.1660429457,0.1660429457,GGA,P2_1/c,A10B12C2DE21_mP184_14_10e_12e_2e_e_21e:B-C-Cl-Co-H,184.0,A10B12C2DE21_mP184_14_10e_12e_2e_e_21e:B-C-Cl-Co-H +mp-1210639,Mn5V2(HO3)4,-7.9373980152,-1.9848303059,0.0,-0.0031681317,GGA+U,C2/m,A4B5C12D2_mC46_12_j_agh_2i2j_i:H-Mn-O-V,23.0,A4B5C12D2_mC46_12_j_agh_2i2j_i:H-Mn-O-V +mp-729576,Mn6VSi5HO19,-8.5331022081,-2.6405272228000003,0.0041244457,0.0041244457,GGA+U,P2_1/c,AB6C19D5E_mP128_14_e_6e_19e_5e_e:H-Mn-O-Si-V,128.0,AB6C19D5E_mP128_14_e_6e_19e_5e_e:H-Mn-O-Si-V +mp-14046,Mn3V2(SiO4)3,-8.7301156759,-2.6656118438,0.0659126097,0.0659126097,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mn-O-Si-V,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mn-O-Si-V +mp-1199415,Mn2VHO5,-8.2689205649,-2.0984643143,0.0,-0.006459744,GGA+U,Pnma,AB2C5D_oP72_62_2c_2cd_6c2d_2c:H-Mn-O-V,72.0,AB2C5D_oP72_62_2c_2cd_6c2d_2c:H-Mn-O-V +mp-6973,CsNaS,-3.33352126,-1.2153954159,0.0,-0.0363430233,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cs-Na-S,6.0,ABC_tP6_129_c_a_c:Cs-Na-S +mp-1205112,CsNa2H3(SO4)3,-5.9970516637,-1.9261828432,0.0,-0.0017166363,GGA,P2_13,AB3C2D12E3_cP84_198_a_b_2a_4b_b:Cs-H-Na-O-S,84.0,AB3C2D12E3_cP84_198_a_b_2a_4b_b:Cs-H-Na-O-S +mp-15011,NaBS2,-5.0928114446,-1.0241072451,0.0089834604,0.0089834604,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Na-S,24.0,"Invalid WP multiplicities - ABC2_hR72_167_e_e_4e:B-Na-S, expected NaBS4 to be NaBS2" +mp-1020658,NaB(SO4)2,-6.7587974279,-2.1047702206,0.0,-0.0226373141,GGA,P2/c,ABC8D2_mP24_13_e_f_4g_g:B-Na-O-S,24.0,ABC8D2_mP24_13_e_f_4g_g:B-Na-O-S +mp-734169,Na3SbS4O9,-5.6955464156,-1.6271596515,0.2430022268,0.2430022268,GGA,P2_13,A3B9C4D_cP68_198_3a_3b_ab_a:Na-O-S-Sb,68.0,A3B9C4D_cP68_198_3a_3b_ab_a:Na-O-S-Sb +mp-780353,Na6B4Sb2SO16,-6.6593080671,-2.3077842543,0.0726898701,0.0726898701,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Na-O-S-Sb,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_2eg_a_d:B-Na-O-S-Sb, expected Na6B4Sb2SO20 to be Na6B4Sb2SO16" +mp-771026,Na2BSbSO7,-6.5102976492,-2.1589047789,0.0876838447,0.0876838447,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Na-O-S-Sb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:B-Na-O-S-Sb, expected Na2BSbSO13 to be Na2BSbSO7" +mp-29411,Na2B2S5,-5.0516353733,-0.9754038775,0.0,-0.0020892476,GGA,Pnma,A2B2C5_oP36_62_2c_d_5c:B-Na-S,36.0,A2B2C5_oP36_62_2c_d_5c:B-Na-S +mp-560266,Na3B5SO8,-7.3098880084,-2.5408001089,0.0054987077,0.0054987077,GGA,P2_1/c,A5B3C8D_mP68_14_5e_3e_8e_e:B-Na-O-S,68.0,"Invalid WP multiplicities - A5B3C8D_mP68_14_16e_9e_28e_e:B-Na-O-S, expected Na9B16SO28 to be Na3B5SO8" +mp-29000,Na3B5S9,-5.3670406047,-0.9792415732,0.0,-0.0400586945,GGA,I4_1/acd,A5B3C9_tI272_142_d2g_cef_e4g:B-Na-S,136.0,A5B3C9_tI272_142_d2g_cef_e4g:B-Na-S +mp-29976,Na3BS3,-4.4576267771,-1.1638671697,0.0,-0.0509198931,GGA,C2/c,AB3C3_mC28_15_e_cf_ef:B-Na-S,14.0,"Invalid WP multiplicities - AB3C3_mC28_15_e_c2f_ef:B-Na-S, expected Na5BS3 to be Na3BS3" +mp-1020655,NaB(S2O7)2,-6.6044673126,-1.9143993882,0.0,-0.0201739182,GGA,P2_1/c,ABC14D4_mP80_14_e_e_14e_4e:B-Na-O-S,80.0,ABC14D4_mP80_14_e_e_14e_4e:B-Na-O-S +mp-1020599,Na5B(SO4)4,-6.3672930725,-2.1755685692,0.0037206723,-0.0015372462,GGA,P2_12_12_1,AB5C16D4_oP104_19_a_5a_16a_4a:B-Na-O-S,104.0,AB5C16D4_oP104_19_a_5a_16a_4a:B-Na-O-S +mp-1197581,Na5B(SO4)4,-6.3710137448,-2.1792892415,0.0,-0.0052579185,GGA,Pca2_1,AB5C16D4_oP208_29_2a_10a_32a_8a:B-Na-O-S,208.0,AB5C16D4_oP208_29_2a_10a_32a_8a:B-Na-O-S +mp-769713,Na4B4Sb2SO16,-6.9026629978,-2.3267689243,0.0541561709,0.0541561709,GGA,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:B-Na-O-S-Sb,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_21h_a_d:B-Na-O-S-Sb, expected Na10B4Sb2SO84 to be Na4B4Sb2SO16" +mp-1210386,Na2Sb8S13O2,-4.4549063204,-0.4811348724,0.3630236394,0.3630236394,GGA,Cm,A2B2C13D8_mC50_8_b_2a_a6b_4b:Na-O-S-Sb,25.0,A2B2C13D8_mC50_8_b_2a_a6b_4b:Na-O-S-Sb +mp-721618,SrB6(H4O7)2,-7.0428169391,-2.2786343737,0.0040970239,0.0040970239,GGA,P2_1/c,A6B8C14D_mP116_14_6e_8e_14e_e:B-H-O-Sr,116.0,A6B8C14D_mP116_14_6e_8e_14e_e:B-H-O-Sr +mp-698205,LiB(HO2)2,-6.2486342466,-1.85356905,0.0010003522,0.0010003522,GGA,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:B-H-Li-O,32.0,AB2CD4_mP32_14_e_2e_e_4e:B-H-Li-O +mp-1218822,Sr2LiB10H3O19,-7.8063652089,-2.7707340337,0.0,-0.0034882318,GGA,P1,A10B3CD19E2_aP70_1_20a_6a_2a_38a_4a:B-H-Li-O-Sr,70.0,A10B3CD19E2_aP70_1_20a_6a_2a_38a_4a:B-H-Li-O-Sr +mp-1198595,LiB6(H5O)2,-5.144601945,-0.6285013469,0.1210538575,0.1210538575,GGA,C2/m,A6B10CD2_mC76_12_2i2j_2i4j_i_gi:B-H-Li-O,38.0,A6B10CD2_mC76_12_2i2j_2i4j_i_gi:B-H-Li-O +mp-1235308,Sr2Li(H4O3)2,-5.2994670712,-1.6459464594000002,0.1416977868,0.1416977868,GGA,P1,A8BC6D2_aP17_1_8a_a_6a_2a:H-Li-O-Sr,17.0,A8BC6D2_aP17_1_8a_a_6a_2a:H-Li-O-Sr +mp-1233011,Sr2Li(H4O3)2,-5.2937553553,-1.6402347435,0.1474095026,0.1474095026,GGA,Pm,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Li-O-Sr,17.0,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Li-O-Sr +mp-1235115,Sr2Li(H4O3)2,-5.3055143712,-1.6519937594,0.1356504868,0.1356504868,GGA,Pm,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Li-O-Sr,17.0,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Li-O-Sr +mp-1236393,Sr2Li(H4O3)2,-5.3121237212,-1.6586031094,0.1290411368,0.1290411368,GGA,Pm,A8BC6D2_mP17_6_4b2c_a_2a4b_2a:H-Li-O-Sr,17.0,A8BC6D2_mP17_6_4b2c_a_2a4b_2a:H-Li-O-Sr +mp-1209355,Sr2B11HO21,-7.7200840769,-2.4593559235,0.2786013777,0.2786013777,GGA,P2_1,A11BC21D2_mP70_4_11a_a_21a_2a:B-H-O-Sr,70.0,A11BC21D2_mP70_4_11a_a_21a_2a:B-H-O-Sr +mp-1209237,Sr2B11HO21,-7.7197996649,-2.4590715115,0.2788857897,0.2788857897,GGA,Cc,A11BC21D2_mC140_9_11a_a_21a_2a:B-H-O-Sr,70.0,A11BC21D2_mC140_9_11a_a_21a_2a:B-H-O-Sr +mp-1203666,LiBH6O,-4.4202335919,-0.6545269676000001,0.1041267151,0.1041267151,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:B-H-Li-O,36.0,AB6CD_mP36_14_e_6e_e_e:B-H-Li-O +mp-707105,Li3B5(HO5)2,-7.3411073645,-2.5723040317,0.0001655482,-0.0085911046,GGA,P4_12_12,A5B2C3D10_tP80_92_a2b_b_ab_5b:B-H-Li-O,80.0,A5B2C3D10_tP80_92_a2b_b_ab_5b:B-H-Li-O +mp-1199091,Li3B5(HO5)2,-7.3412729128,-2.5724695799,0.0,-0.0087566529,GGA,P4_32_12,A5B2C3D10_tP80_96_a2b_b_ab_5b:B-H-Li-O,80.0,A5B2C3D10_tP80_96_a2b_b_ab_5b:B-H-Li-O +mp-740714,LiB5H2O9,-7.6670442418,-2.5722482293,0.0,-0.0170742789,GGA,P2_1/c,A5B2CD9_mP68_14_5e_2e_e_9e:B-H-Li-O,68.0,A5B2CD9_mP68_14_5e_2e_e_9e:B-H-Li-O +mp-24560,LiB2H3O5,-6.7357212858,-2.1739641858,0.0118562895,0.0118562895,GGA,Pnna,A2B3CD5_oP88_52_cde_3e_e_5e:B-H-Li-O,88.0,A2B3CD5_oP88_52_cde_3e_e_5e:B-H-Li-O +mp-1179169,SrB12(H3O2)4,-5.0508035079,-0.1378211766,1.2444063295,1.2444063295,GGA,R-3,A12B12C8D_hR99_148_2f_2f_cf_a:B-H-O-Sr,33.0,A12B12C8D_hR99_148_2f_2f_cf_a:B-H-O-Sr +mp-1201030,SrB12(H3O2)4,-5.8577070097,-0.9447246784,0.4375028276,0.4375028276,GGA,R-3,A12B12C8D_hR99_148_2f_2f_cf_a:B-H-O-Sr,33.0,A12B12C8D_hR99_148_2f_2f_cf_a:B-H-O-Sr +mp-1201098,Sr2B5H3O11,-7.5395212012,-2.7124878812,0.000442844,0.000442844,GGA,P1,A5B3C11D2_aP42_1_10a_6a_22a_4a:B-H-O-Sr,42.0,A5B3C11D2_aP42_1_10a_6a_22a_4a:B-H-O-Sr +mp-1222914,LiB(H8O5)2,-5.4941928164,-1.4820921568,0.0080436733,0.0080436733,GGA,P1,AB16CD10_aP28_1_a_16a_a_10a:B-H-Li-O,28.0,AB16CD10_aP28_1_a_16a_a_10a:B-H-Li-O +mp-1201690,Sr3B6H2O13,-7.7449917073,-2.9017735272,0.0,-0.0064043983,GGA,P-1,A6B2C13D3_aP48_2_6i_2i_13i_3i:B-H-O-Sr,48.0,A6B2C13D3_aP48_2_6i_2i_13i_3i:B-H-O-Sr +mp-1202819,Sr2B5HO10,-7.9311634493,-2.9514101761,0.0,-0.0066060583,GGA,P2_1/c,A5BC10D2_mP72_14_5e_e_10e_2e:B-H-O-Sr,72.0,A5BC10D2_mP72_14_5e_e_10e_2e:B-H-O-Sr +mp-1223603,Li4B8H5O18,-7.1239893487,-2.3504221298,0.0125421577,0.0125421577,GGA,P1,A8B5C4D18_aP70_1_16a_10a_8a_36a:B-H-Li-O,70.0,A8B5C4D18_aP70_1_16a_10a_8a_36a:B-H-Li-O +mp-699473,Li2B12H26O7,-5.1397405959,-0.7395651675,0.1513823366,0.1513823366,GGA,Cmcm,A12B26C2D7_oC188_63_2f2h_3f5h_g_cgh:B-H-Li-O,94.0,A12B26C2D7_oC188_63_2f2h_3f5h_g_cgh:B-H-Li-O +mp-1199637,Sr8Li2B22H2O43,-7.9720460118,-2.9879748561,0.0016899708,0.0016899708,GGA,P-1,A22B2C2D43E8_aP77_2_11i_i_i_a21i_4i:B-H-Li-O-Sr,77.0,A22B2C2D43E8_aP77_2_11i_i_i_a21i_4i:B-H-Li-O-Sr +mp-699248,Sr2B5H2O11,-7.6035889375,-2.7048402538,0.0475829562,0.0475829562,GGA,C2,A5B2C11D2_mC40_5_a2c_c_b5c_c:B-H-O-Sr,20.0,A5B2C11D2_mC40_5_a2c_c_b5c_c:B-H-O-Sr +mp-604459,Li2B4H4O9,-6.9815136324,-2.3169601904,0.0115602515,0.0115602515,GGA,P-1,A4B4C2D9_aP152_2_16i_16i_8i_36i:B-H-Li-O,152.0,"Invalid WP multiplicities - A4B4C2D9_aP152_2_32i_32i_16i_70i:B-H-Li-O, expected Li8B16H16O35 to be Li2B4H4O9" +mp-23662,LiB(HO)4,-6.0580521579,-1.8634547916,0.0012282959,0.0012282959,GGA,Pbca,AB4CD4_oP80_61_c_4c_c_4c:B-H-Li-O,80.0,AB4CD4_oP80_61_c_4c_c_4c:B-H-Li-O +mp-1209314,Rb3TmV2O8,-7.3845368714,-2.7303397664,0.0,-0.0270621621,GGA+U,P-3m1,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Tm-V,14.0,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Tm-V +mp-1211717,K2RbTmV2O8,-7.4220589607,-2.7493097307000003,0.0,-0.0102473674,GGA+U,P-3m1,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Tm-V,14.0,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Tm-V +mp-1104265,K3TmV2O8,-7.4254489543,-2.7434236618,0.0,-0.0307883966,GGA+U,P-3m1,A3B8CD2_hP14_164_ad_di_b_d:K-O-Tm-V,14.0,A3B8CD2_hP14_164_ad_di_b_d:K-O-Tm-V +mp-690702,SnPHO4,-6.8065405532,-2.1490612315,0.0,-0.0102847074,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:H-O-P-Sn,28.0,AB4CD_mP28_14_e_4e_e_e:H-O-P-Sn +mp-1192591,SnP2(HO4)2,-6.8323292096,-2.1250108521,0.1153603871,0.1153603871,GGA,C2/c,A2B8C2D_mC52_15_f_4f_f_e:H-O-P-Sn,26.0,A2B8C2D_mC52_15_f_4f_f_e:H-O-P-Sn +mp-1200443,CaSnP6(HO)12,-5.8904073959000005,-1.5601585256,0.0131535076,0.0131535076,GGA,R-3,AB12C12D6E_hR96_148_a_2f_2f_f_b:Ca-H-O-P-Sn,32.0,AB12C12D6E_hR96_148_a_2f_2f_f_b:Ca-H-O-P-Sn +mp-787453,SnPHO5,-3.6723226069,1.0213078885,3.25358879,3.236921433,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Sn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Sn, expected SnPHO9 to be SnPHO5" +mp-775543,SnPHO5,-6.9259113969,-2.2322809015,0.0,-0.016667357,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Sn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Sn, expected SnPHO9 to be SnPHO5" +mp-1410461,SnPHO5,-3.7550902056,0.9385402897,3.1708211913,3.1541538342,GGA,P-1,AB5CD_aP16_2_i_5i_i_ab:H-O-P-Sn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_ab:H-O-P-Sn, expected SnPHO9 to be SnPHO5" +mp-770795,Na3CuBSO7,-6.1670321842,-2.0509210176,0.0891155865,0.0891155865,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cu-Na-O-S,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Cu-Na-O-S, expected Na4CuBSO13 to be Na3CuBSO7" +mp-12954,CuBS2,-5.355558385,-0.5926838414,0.0,-0.0186292836,GGA,I-42d,ABC2_tI16_122_a_b_d:B-Cu-S,8.0,ABC2_tI16_122_a_b_d:B-Cu-S +mp-771122,Na2CuBSO7,-6.3179917625,-1.9690817731,0.0815860215,0.0815860215,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Cu-Na-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Cu-Na-O-S, expected Na2CuBSO13 to be Na2CuBSO7" +mp-770884,Li2SnCSO7,-6.6565735929,-2.0049607657,0.1030203058,0.1030203058,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-S-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-S-Sn, expected Li2SnCSO13 to be Li2SnCSO7" +mp-780576,Li2Sn(SO4)2,-6.3243774379,-2.04177536,0.0515494454,0.0515494454,GGA,Pbca,A2B8C2D_oP104_61_2c_8c_2c_c:Li-O-S-Sn,104.0,"Invalid WP multiplicities - A2B8C2D_oP104_61_5c_29c_2c_c:Li-O-S-Sn, expected Li5SnS2O29 to be Li2Sn(SO4)2" +mp-1176625,LiSn(SO4)2,-6.4408212193,-1.9604125405,0.017863445,0.017863445,GGA,Pc,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Sn,96.0,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Sn +mp-768678,LiSn2(SO4)3,-6.4073793281,-1.8686192885,0.0629147615,0.0629147615,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-S-Sn,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_7e:Li-O-S-Sn, expected LiSn7(SO5)9 to be LiSn2(SO4)3" +mp-768785,LiSn2(SO4)3,-6.3804467039,-1.8416866643,0.0898473856,0.0898473856,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-S-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_9f_e_c:Li-O-S-Sn, expected LiSn2(SO18)3 to be LiSn2(SO4)3" +mp-768755,Li2Sn2(SO4)3,-6.3779112689,-1.9775637122,0.0351480533,0.0351480533,GGA,Pbcn,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-S-Sn,76.0,"Invalid WP multiplicities - A2B12C3D2_oP76_60_d_21d_2c2d_d:Li-O-S-Sn, expected LiSn(SO7)3 to be Li2Sn2(SO4)3" +mp-777931,Li2Sn2(SO4)3,-6.3816174538,-1.981269897,0.0314418684,0.0314418684,GGA,Pbca,A2B12C3D2_oP152_61_2c_12c_3c_2c:Li-O-S-Sn,152.0,"Invalid WP multiplicities - A2B12C3D2_oP152_61_5c_45c_9c_5c:Li-O-S-Sn, expected Li5Sn5(SO5)9 to be Li2Sn2(SO4)3" +mp-1196273,Bi4BPO10,-6.9738191684,-2.1662230491,0.0,-0.0100048853,GGA,Pbca,AB4C10D_oP128_61_c_4c_10c_c:B-Bi-O-P,128.0,AB4C10D_oP128_61_c_4c_10c_c:B-Bi-O-P +mp-1201553,Co2BiB(PO5)2,-7.6185012656,-2.3041257271,0.0598203974,0.0598203974,GGA+U,P2_1/m,ABC2D10E2_mP32_11_e_e_f_2e4f_f:B-Bi-Co-O-P,32.0,ABC2D10E2_mP32_11_e_e_f_2e4f_f:B-Bi-Co-O-P +mp-1297731,Co3BPO7,-7.6169564421,-1.9465840553,0.2726196806,0.2726196806,GGA+U,P1,AB3C7D_aP24_1_2a_6a_14a_2a:B-Co-O-P,24.0,AB3C7D_aP24_1_2a_6a_14a_2a:B-Co-O-P +mp-562300,Co3BPO7,-7.746093529599999,-2.0757211428,0.1434825931,0.1434825931,GGA+U,Cm,AB3C7D_mC48_8_b_3b_4a5b_2a:B-Co-O-P,24.0,"Invalid WP multiplicities - AB3C7D_mC48_8_b_4b_4a5b_2a:B-Co-O-P, expected Co4BPO7 to be Co3BPO7" +mp-23595,CoBiPO5,-7.2755830097,-2.1386388862,0.0,-0.0013372269,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Co-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Bi-Co-O-P +mp-1180761,NaCNO,-6.9151583825,-0.956564777,0.25547881,0.2503394432,GGA,Cm,ABCD_mC8_8_a_a_a_a:C-N-Na-O,4.0,ABCD_mC8_8_a_a_a_a:C-N-Na-O +mp-546500,NaCNO,-7.1706371925,-1.212043587,0.0,-0.0051393668,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-N-Na-O,4.0,ABCD_hR12_160_a_a_a_a:C-N-Na-O +mp-1193256,NaC2NO3,-7.5416690836,-1.4050380354,0.0540092387,0.0540092387,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:C-N-Na-O,28.0,A2BCD3_mP28_14_2e_e_e_3e:C-N-Na-O +mp-722290,NaC2NO3,-7.0193302929,-0.8826992447,0.5763480294000001,0.5763480294000001,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:C-N-Na-O,28.0,A2BCD3_mP28_14_2e_e_e_3e:C-N-Na-O +mp-1202356,Na4CrC6(N3O5)2,-5.9124924237,0.3764334378,1.7644851377,1.7644851377,GGA+U,P2_1/c,A6BC6D4E10_mP54_14_3e_a_3e_2e_5e:C-Cr-N-Na-O,54.0,A6BC6D4E10_mP54_14_3e_a_3e_2e_5e:C-Cr-N-Na-O +mp-1202654,NaCrNO6,-5.6809572789,-0.237379506,1.2152138035,1.2152138035,GGA+U,P2_12_12_1,ABCD6_oP36_19_a_a_a_6a:Cr-N-Na-O,36.0,ABCD6_oP36_19_a_a_a_6a:Cr-N-Na-O +mp-565390,CrC7N2O5,-7.6595808933,0.0510950616,1.0652739619,1.0652739619,GGA+U,P2_1/c,A7BC2D5_mP60_14_7e_e_2e_5e:C-Cr-N-O,60.0,"Invalid WP multiplicities - A7BC2D5_mP60_14_26e_e_5e_20e:C-Cr-N-O, expected CrC26(NO4)5 to be CrC7N2O5" +mp-1210777,NaCNO2,-6.6775848615,-0.9213722348,0.5901907694,0.5901907694,GGA,P2_1/c,ABCD2_mP20_14_e_e_e_2e:C-N-Na-O,20.0,ABCD2_mP20_14_e_e_e_2e:C-N-Na-O +mp-1180486,NaC2(NO)4,-6.8156716884,-0.1872543408,0.9826408243,0.9826408243,GGA,P2_1/c,A2B4CD4_mP44_14_2e_4e_e_4e:C-N-Na-O,44.0,A2B4CD4_mP44_14_2e_4e_e_4e:C-N-Na-O +mp-1192183,Mg7VH16,-3.3207793554,-0.2137175579,0.0842134296,0.0842134296,GGA,Fm-3m,A16B7C_cF96_225_2f_ad_b:H-Mg-V,24.0,A16B7C_cF96_225_2f_ad_b:H-Mg-V +mp-1194238,MgV4(H4O7)2,-6.9307040196,-1.9554686623,0.0093290859,0.0093290859,GGA+U,P-1,A8BC14D4_aP27_2_4i_a_7i_2i:H-Mg-O-V,27.0,A8BC14D4_aP27_2_4i_a_7i_2i:H-Mg-O-V +mp-2233214,RbMgV4O10,-7.9658656781,-2.4419078334,0.1197734295,0.1197734295,GGA+U,P-1,AB10CD4_aP16_2_a_5i_e_2i:Mg-O-Rb-V,16.0,"Invalid WP multiplicities - AB10CD4_aP16_2_a_9i_e_3i:Mg-O-Rb-V, expected RbMgV6O18 to be RbMgV4O10" +mp-2233083,RbMgV4O10,-7.9821677288,-2.4582098841,0.1034713789,0.1034713789,GGA+U,Cm,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Rb-V,16.0,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Rb-V +mp-2230736,Rb4MgV4O10,-6.9967502963,-2.1901751525,0.1668506712,0.1668506712,GGA+U,P1,AB10C4D4_aP19_1_a_10a_4a_4a:Mg-O-Rb-V,19.0,AB10C4D4_aP19_1_a_10a_4a_4a:Mg-O-Rb-V +mp-2219795,MgV2(H2O3)2,-6.7483526746,-1.9007273948,0.1523648865,0.1523648865,GGA+U,P1,A4BC6D2_aP13_1_4a_a_6a_2a:H-Mg-O-V,13.0,A4BC6D2_aP13_1_4a_a_6a_2a:H-Mg-O-V +mp-2219173,MgV2(H2O3)2,-6.71708225,-1.8694569702,0.1836353112,0.1836353112,GGA+U,P-1,A4BC6D2_aP13_2_2i_a_3i_i:H-Mg-O-V,13.0,"Invalid WP multiplicities - A4BC6D2_aP13_2_4i_a_5i_i:H-Mg-O-V, expected MgV2(H4O5)2 to be MgV2(H2O3)2" +mp-1191096,Mg6VH16,-3.3642697987,-0.1916957513,0.0807875413,0.0807875413,GGA,Fm-3m,A16B6C_cF92_225_2f_d_a:H-Mg-V,23.0,A16B6C_cF92_225_2f_d_a:H-Mg-V +mp-1234110,MgV6(HO3)6,-7.3854546652,-2.0467298412,0.0575569759,0.0575569759,GGA+U,P1,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V,31.0,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V +mp-1234567,MgV6(HO3)6,-7.3930761187,-2.0543512948,0.0499355223,0.0499355223,GGA+U,P1,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V,31.0,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V +mp-1234801,MgV6(HO3)6,-7.3682637232,-2.0295388993,0.0747479178,0.0747479178,GGA+U,P1,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V,31.0,A6BC18D6_aP31_1_6a_a_18a_6a:H-Mg-O-V +mp-1234779,MgV6(HO3)6,-7.3808528332,-2.0421280093,0.0621588078,0.0621588078,GGA+U,Pm,A6BC18D6_mP31_6_ab2c_a_3a3b6c_ab2c:H-Mg-O-V,31.0,"Invalid WP multiplicities - A6BC18D6_mP31_6_ab4c_a_3a3b9c_ab3c:H-Mg-O-V, expected MgV8(H5O12)2 to be MgV6(HO3)6" +mp-1234793,MgV6(HO3)6,-7.3838204426,-2.0450956186,0.0591911985,0.0591911985,GGA+U,Pm,A6BC18D6_mP31_6_ab2c_a_3a3b6c_ab2c:H-Mg-O-V,31.0,"Invalid WP multiplicities - A6BC18D6_mP31_6_ab4c_a_3a3b9c_ab3c:H-Mg-O-V, expected MgV8(H5O12)2 to be MgV6(HO3)6" +mp-2223097,MgV2H2O5,-7.343209102,-2.2145103184,0.0673457731,0.0673457731,GGA+U,Cm,A2BC5D2_mC20_8_2a_a_5a_2a:H-Mg-O-V,10.0,A2BC5D2_aP10_1_2a_a_5a_2a:H-Mg-O-V +mp-2240197,MgV2H2O5,-7.267288903,-2.1385901194,0.1432659721,0.1432659721,GGA+U,Cm,A2BC5D2_mC20_8_2a_a_5a_2a:H-Mg-O-V,10.0,A2BC5D2_mC20_8_2a_a_5a_2a:H-Mg-O-V +mp-2223614,MgV2H2O5,-7.233059642,-2.1043608584,0.1774952331,0.1774952331,GGA+U,C2/m,A2BC5D2_mC20_12_i_a_c2i_i:H-Mg-O-V,10.0,A2BC5D2_mC20_12_i_a_d2i_i:H-Mg-O-V +mp-744816,RbMgV5(H8O11)2,-6.2633978017,-1.5720397386,0.2498256644,0.2498256644,GGA+U,P-1,A16BC22DE5_aP90_2_16i_i_22i_i_5i:H-Mg-O-Rb-V,90.0,A16BC22DE5_aP90_2_16i_i_22i_i_5i:H-Mg-O-Rb-V +mp-696951,Fe3H4(OF4)2,-5.9204085965,-2.1459275981,0.0057181445,0.0057181445,GGA+U,C2/m,A8B3C4D2_mC34_12_gij_ce_j_i:F-Fe-H-O,17.0,A8B3C4D2_mC34_12_hij_ae_j_i:F-Fe-H-O +mp-758075,Fe2H4O2F5,-5.8403422919,-1.9971331488,0.0046657972,0.0046657972,GGA+U,Imma,A5B2C4D2_oI52_74_ej_ac_j_h:F-Fe-H-O,26.0,"Invalid WP multiplicities - A5B2C4D2_oI52_74_e2j_ac_j_h:F-Fe-H-O, expected Fe2H4O2F9 to be Fe2H4O2F5" +mp-735131,Sr2Fe2H2OF10,-5.9916331884,-2.981870847,0.0,-0.0081409291,GGA+U,Cmce,A10B2C2DE2_oC136_64_4f3g_ef_g_f_ef:F-Fe-H-O-Sr,68.0,A10B2C2DE2_oC136_64_4f3g_ef_g_f_ef:F-Fe-H-O-Sr +mp-744565,Sr3Fe2(HO)12,-4.8733392763,-0.6636323847000001,1.1241443342,1.1241443342,GGA+U,Ia-3d,A2B12C12D3_cI232_230_a_h_h_c:Fe-H-O-Sr,116.0,A2B12C12D3_cI232_230_a_h_h_c:Fe-H-O-Sr +mp-866662,K5La4Si4O16F,-7.5838619903,-3.3153355362,0.0,-0.0337234725,GGA,I-4,AB5C4D16E4_tI60_82_a_bg_g_4g_g:F-K-La-O-Si,30.0,AB5C4D16E4_tI60_82_a_bg_g_4g_g:F-K-La-O-Si +mp-851107,Li3P7W5O29,-8.1908016627,-2.4666082554,0.0586888399,0.0586888399,GGA+U,P1,A3B29C7D5_aP88_1_6a_58a_14a_10a:Li-O-P-W,88.0,A3B29C7D5_aP88_1_6a_58a_14a_10a:Li-O-P-W +mp-757577,LiPWO5,-8.1001411569,-2.4734162619,0.0214363512,0.0214363512,GGA+U,P-1,AB5CD_aP32_2_2i_10i_2i_2i:Li-O-P-W,32.0,"Invalid WP multiplicities - AB5CD_aP32_2_3i_19i_3i_3i:Li-O-P-W, expected Li3P3W3O19 to be LiPWO5" +mp-758385,LiPWO5,-8.0841099631,-2.4573850682,0.037467545,0.037467545,GGA+U,C2/c,AB5CD_mC64_15_ac_5f_f_de:Li-O-P-W,32.0,"Invalid WP multiplicities - AB5CD_mC64_15_a2c_17f_f_2d2e:Li-O-P-W, expected Li3P2(W2O17)2 to be LiPWO5" +mp-758353,LiPWO5,-8.039045872199999,-2.4123209772,0.0825316359,0.0825316359,GGA+U,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-W,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_a_9c4d_c_c:Li-O-P-W, expected LiPWO17 to be LiPWO5" +mp-1384949,Li3P2WO8,-7.4794153179,-2.544771494,0.0531112247,0.0531112247,GGA+U,C2,A3B8C2D_mC28_5_ac_4c_c_b:Li-O-P-W,14.0,"Invalid WP multiplicities - A3B8C2D_mC28_12_a2i_4ij_i_d:Li-O-P-W, expected Li5P2WO12 to be Li3P2WO8" +mp-758018,Li3P2WO8,-7.4803459336,-2.5457021098,0.052180609,0.052180609,GGA+U,C2/m,A3B8C2D_mC28_12_ai_2ij_i_c:Li-O-P-W,14.0,"Invalid WP multiplicities - A3B8C2D_mC28_12_a2i_4ij_i_c:Li-O-P-W, expected Li5P2WO12 to be Li3P2WO8" +mp-757992,Li3P2WO8,-7.4741738164,-2.5395299926,0.0583527262,0.0583527262,GGA+U,P2_1/c,A3B8C2D_mP56_14_3e_8e_2e_e:Li-O-P-W,56.0,"Invalid WP multiplicities - A3B8C2D_mP56_14_11e_29e_5e_e:Li-O-P-W, expected Li11P5WO29 to be Li3P2WO8" +mp-758098,LiP3(WO6)2,-8.2779156125,-2.5320625357,0.0,-0.0155262692,GGA+U,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-W, expected LiP5W3O23 to be LiP3(WO6)2" +mp-757951,LiP3(WO6)2,-8.2767533312,-2.5309002545,0.0011622813,-0.014363988,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_7e:Li-O-P-W, expected LiP9W7O45 to be LiP3(WO6)2" +mp-758394,LiP3(WO6)2,-8.2717577036,-2.5259046269,0.0061579089,-0.0093683603,GGA+U,C2,AB12C3D2_mC72_5_c_12c_ab2c_2c:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_5_c_24c_ab4c_2c:Li-O-P-W, expected LiP5(WO12)2 to be LiP3(WO6)2" +mp-758634,LiP3(WO6)2,-8.1900680971,-2.4442150203,0.0878475154,0.0723212462,GGA+U,Pbcm,AB12C3D2_oP72_57_d_2d5e_ce_e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_57_d_4d9e_2ce_e:Li-O-P-W, expected LiP4(WO11)2 to be LiP3(WO6)2" +mp-758242,LiP3(WO6)2,-8.1970079883,-2.4511549116,0.0809076242,0.065381355,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_9f_e_c:Li-O-P-W, expected LiP3(WO27)2 to be LiP3(WO6)2" +mp-1209791,NiP8W,-6.4379216515,-0.2334529552,0.0011555288,0.0011555288,GGA,P-31c,AB8C_hP20_163_b_fi_c:Ni-P-W,20.0,AB8C_hP20_163_b_fi_c:Ni-P-W +mp-1177533,Li3P5(WO6)4,-8.1340635294,-2.4855543316,0.0420098265,0.0420098265,GGA+U,Cc,A3B24C5D4_mC144_9_3a_24a_5a_4a:Li-O-P-W,72.0,"Invalid WP multiplicities - A3B24C5D4_mC144_9_5a_48a_10a_8a:Li-O-P-W, expected Li5P10(WO6)8 to be Li3P5(WO6)4" +mp-757610,LiP(WO4)2,-8.4250351452,-2.3573688516,0.0390838321,0.0390838321,GGA+U,P2_1,AB8CD2_mP48_4_2a_16a_2a_4a:Li-O-P-W,48.0,"Invalid WP multiplicities - AB8CD2_mP48_4_3a_31a_3a_7a:Li-O-P-W, expected Li3P3W7O31 to be LiP(WO4)2" +mp-753121,LiP(WO4)2,-8.3858236633,-2.3181573697,0.078295314,0.078295314,GGA+U,P2_1/m,AB8CD2_mP24_11_e_a3e2f_e_2e:Li-O-P-W,24.0,"Invalid WP multiplicities - AB8CD2_mP24_11_e_a6e4f_e_3e:Li-O-P-W, expected LiP(WO5)3 to be LiP(WO4)2" +mp-758687,Li3P3(WO6)2,-7.8513095169,-2.4891494611,0.0462328625,0.0462328625,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-W,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_5e:Li-O-P-W, expected Li9P9(WO9)5 to be Li3P3(WO6)2" +mp-849315,Li3P3(WO6)2,-7.8475053666,-2.4853453109,0.0500370127,0.0500370127,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-W,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_2e:Li-O-P-W, expected Li9P9W2O45 to be Li3P3(WO6)2" +mp-776637,Li3P3(WO6)2,-7.8512477007,-2.489087645,0.0462946786,0.0462946786,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-W,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_11e_2e:Li-O-P-W, expected Li9P11W2O45 to be Li3P3(WO6)2" +mp-777465,Li3P3(WO6)2,-7.8611714165,-2.4990113608,0.0363709629,0.0363709629,GGA+U,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Li-O-P-W,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_17f_f_2c:Li-O-P-W, expected Li3P3W2O51 to be Li3P3(WO6)2" +mp-757625,Li2P4WO13,-7.7019271652,-2.5651202034,0.0496648517,0.0496648517,GGA+U,P-1,A2B13C4D_aP40_2_2i_13i_4i_i:Li-O-P-W,40.0,"Invalid WP multiplicities - A2B13C4D_aP40_2_3i_25i_7i_i:Li-O-P-W, expected Li3P7WO25 to be Li2P4WO13" +mp-757954,Li2P2WO8,-7.7023626869,-2.5349710972,0.0654210296,0.0654210296,GGA+U,Pc,A2B8C2D_mP26_7_2a_8a_2a_a:Li-O-P-W,26.0,A2B8C2D_mP26_7_2a_8a_2a_a:Li-O-P-W +mp-753190,Li2P2WO8,-7.7614496688,-2.5940580791,0.0063340477,0.0063340477,GGA+U,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-W,26.0,"Invalid WP multiplicities - A2B8C2D_mP26_14_e_13e_e_a:Li-O-P-W, expected Li2P2WO26 to be Li2P2WO8" +mp-762289,Li2P2WO8,-7.7319992646,-2.5646076749,0.0357844519,0.0357844519,GGA+U,P-3,A2B8C2D_hP13_147_d_dg_d_a:Li-O-P-W,13.0,"Invalid WP multiplicities - A2B8C2D_hP13_147_d_2d3g_d_a:Li-O-P-W, expected Li2P2WO22 to be Li2P2WO8" +mp-757392,Li2PWO6,-7.6707698448,-2.483828771,0.0556963219,0.0556963219,GGA+U,C2/c,A2B6CD_mC80_15_2ef_6f_f_f:Li-O-P-W,40.0,"Invalid WP multiplicities - A2B6CD_mC80_15_4e2f_23f_f_f:Li-O-P-W, expected Li4PWO23 to be Li2PWO6" +mp-1043389,NiP2WO9,-7.9844935604,-2.285641997,0.0376745661,0.0376745661,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-W,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-W +mp-757984,LiPW4O13,-8.7302742982,-2.2322901119,0.0644065026,0.0644065026,GGA+U,Pmc2_1,AB13CD4_oP76_26_ab_3a3b10c_ab_4c:Li-O-P-W,76.0,AB13CD4_oP76_26_2a2b_6a6b20c_2a2b_8c:Li-O-P-W +mp-29618,NiP3W2,-8.3967762183,-0.4073921083,0.0269807846,0.0269807846,GGA,C2/m,AB3C2_mC24_12_ad_3i_2i:Ni-P-W,12.0,"Invalid WP multiplicities - AB3C2_mC24_12_ac_4i_2i:Ni-P-W, expected Ni(P2W)2 to be NiP3W2" +mp-30542,Ni4P16W,-6.1203685269,-0.2779153337,0.006753038,0.006753038,GGA,C2/c,A4B16C_mC84_15_2f_8f_e:Ni-P-W,42.0,"Invalid WP multiplicities - A4B16C_mC84_15_2f_9f_e:Ni-P-W, expected Ni4P18W to be Ni4P16W" +mp-1079407,NiPW,-8.4013484567,-0.3508253178,0.0206378816,0.0206378816,GGA,P-62m,ABC_hP9_189_f_bc_g:Ni-P-W,9.0,ABC_hP9_189_f_bc_g:Ni-P-W +mp-776590,Li9P8W3O29,-7.5407615323,-2.5853515493,0.0241961201,0.0241961201,GGA+U,P-3c1,A9B29C8D3_hP98_165_bdg_df4g_dg_f:Li-O-P-W,98.0,"Invalid WP multiplicities - A9B29C8D3_hP98_165_b2d3g_2d6f45g_2d3g_f:Li-O-P-W, expected Li23P22W3O292 to be Li9P8W3O29" +mp-1176966,Li6P8W3O29,-7.7345788409,-2.5804849154,0.0293171199,0.0293171199,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-W,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-W +mp-758432,LiP3W2O13,-8.1749585103,-2.4711667159,0.0551093044,0.0551093044,GGA+U,P-1,AB13C3D2_aP38_2_i_13i_3i_2i:Li-O-P-W,38.0,"Invalid WP multiplicities - AB13C3D2_aP38_2_i_25i_5i_3i:Li-O-P-W, expected LiP5W3O25 to be LiP3W2O13" +mp-757978,LiP3W2O13,-8.1547353746,-2.4509435802,0.0753324401,0.0753324401,GGA+U,P2_1,AB13C3D2_mP76_4_2a_26a_6a_4a:Li-O-P-W,76.0,"Invalid WP multiplicities - AB13C3D2_mP76_4_3a_51a_11a_7a:Li-O-P-W, expected Li3P11W7O51 to be LiP3W2O13" +mp-758403,LiP3W2O13,-8.1666796784,-2.4628878841,0.0633881363,0.0633881363,GGA+U,P2/c,AB13C3D2_mP38_13_f_e6g_eg_g:Li-O-P-W,38.0,"Invalid WP multiplicities - AB13C3D2_mP38_13_f_2e21g_eg_g:Li-O-P-W, expected LiP3(WO22)2 to be LiP3W2O13" +mp-758410,LiP3W2O13,-8.1824186812,-2.4786268868,0.0476491335,0.0476491335,GGA+U,P2_1/c,AB13C3D2_mP76_14_e_13e_3e_2e:Li-O-P-W,76.0,"Invalid WP multiplicities - AB13C3D2_mP76_14_e_49e_9e_5e:Li-O-P-W, expected LiP9W5O49 to be LiP3W2O13" +mp-758455,LiP3W2O13,-8.1819385328,-2.4781467384,0.0481292819,0.0481292819,GGA+U,P2_1/c,AB13C3D2_mP76_14_e_13e_3e_2e:Li-O-P-W,76.0,"Invalid WP multiplicities - AB13C3D2_mP76_14_e_51e_9e_3e:Li-O-P-W, expected LiP9(WO17)3 to be LiP3W2O13" +mp-758488,LiP3W2O13,-8.1306936439,-2.4269018496,0.0993741707,0.0993741707,GGA+U,C2/c,AB13C3D2_mC76_15_c_e6f_ef_f:Li-O-P-W,38.0,"Invalid WP multiplicities - AB13C3D2_mC76_15_c_2e23f_2ef_f:Li-O-P-W, expected LiP4(WO24)2 to be LiP3W2O13" +mp-757576,Li3P2WO9,-7.5048836795,-2.5694368632,0.0487551143,0.0487551143,GGA+U,P2_1/c,A3B9C2D_mP60_14_3e_9e_2e_e:Li-O-P-W,60.0,"Invalid WP multiplicities - A3B9C2D_mP60_14_11e_21e_3e_e:Li-O-P-W, expected Li11P3WO21 to be Li3P2WO9" +mp-504105,LiPWO4,-7.6104537286,-1.8865808074,0.5280690246,0.5280690246,GGA+U,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-P-W,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_4c2d_c_c:Li-O-P-W, expected LiPWO8 to be LiPWO4" +mp-1086669,NiP2W,-7.8582761375,-0.4670581567,0.0,-0.0446086801,GGA,P6_3/mmc,AB2C_hP8_194_a_f_b:Ni-P-W,8.0,AB2C_hP8_194_a_f_b:Ni-P-W +mp-1206087,NiP2W,-7.6751692162,-0.2839512354,0.1831069213,0.1384982411,GGA,P6_3/mmc,AB2C_hP8_194_b_f_a:Ni-P-W,8.0,AB2C_hP8_194_b_f_a:Ni-P-W +mp-772973,LiP5WO15,-7.7973643468,-2.5185508787,0.0202881122,0.0202881122,GGA+U,P2_1/c,AB15C5D_mP88_14_e_15e_5e_e:Li-O-P-W,88.0,"Invalid WP multiplicities - AB15C5D_mP88_14_e_58e_18e_e:Li-O-P-W, expected LiP18WO58 to be LiP5WO15" +mp-756677,Li2P5WO15,-7.6441751657,-2.5118786802,0.0645834133,0.0645834133,GGA+U,Cc,A2B15C5D_mC92_9_2a_15a_5a_a:Li-O-P-W,46.0,"Invalid WP multiplicities - A2B15C5D_mC92_9_2a_18a_8a_a:Li-O-P-W, expected Li2P8WO18 to be Li2P5WO15" +mp-758370,Li2P5WO15,-7.678583040699999,-2.5462865552,0.0301755383,0.0301755383,GGA+U,P2_1/m,A2B15C5D_mP46_11_f_3e6f_e2f_a:Li-O-P-W,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_11_f_5e12f_e4f_a:Li-O-P-W, expected Li2P9WO29 to be Li2P5WO15" +mp-850286,NiP6(WO8)3,-8.1890959629,-2.4286585665,0.0003065583,0.0003065583,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Ni-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Ni-O-P-W, expected NiP6(WO20)3 to be NiP6(WO8)3" +mp-757994,LiP4WO12,-7.856103176399999,-2.5294071954,0.0116485704,0.0043388691,GGA+U,P-1,AB12C4D_aP36_2_i_12i_4i_bd:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_a:Li-O-P-W, expected LiP10WO46 to be LiP4WO12" +mp-757562,LiP4WO12,-7.8064046056,-2.4797086245,0.0613471412,0.05403744,GGA+U,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-W, expected Li2P15(WO23)2 to be LiP4WO12" +mp-758364,LiP4WO12,-7.8333481925,-2.5066522115,0.0344035543,0.027093853,GGA+U,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-W, expected LiP7WO23 to be LiP4WO12" +mp-758408,LiP4WO12,-7.8146711019,-2.4879751209,0.0530806449,0.0457709436,GGA+U,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-W, expected LiP7WO23 to be LiP4WO12" +mp-757995,LiP4WO12,-7.8362687233,-2.5095727423,0.0314830235,0.0241733222,GGA+U,C2/m,AB12C4D_mC72_12_i_gi5j_2j_e:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_i_g2i9j_3j_f:Li-O-P-W, expected LiP6WO21 to be LiP4WO12" +mp-758429,LiP4WO12,-7.8160124762,-2.4893164952,0.0517392706,0.0444295693,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-W, expected LiP15WO47 to be LiP4WO12" +mp-758351,LiP4WO12,-7.836190851,-2.50949487,0.0315608958,0.0242511946,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-W, expected LiP13WO45 to be LiP4WO12" +mp-758367,LiP4WO12,-7.7865936685,-2.4598976875,0.0811580783,0.0738483771,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-W, expected LiP13WO45 to be LiP4WO12" +mp-758468,LiP4WO12,-7.8024199937,-2.4757240127,0.0653317531,0.0580220518,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-W, expected LiP15WO47 to be LiP4WO12" +mp-758467,LiP4WO12,-7.8193749492,-2.4926789681,0.0483767976,0.0410670964,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_e:Li-O-P-W, expected LiP10WO46 to be LiP4WO12" +mp-758368,LiP4WO12,-7.8590137997,-2.5323178187,0.0087379471,0.0014282458,GGA+U,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-W, expected LiP10WO46 to be LiP4WO12" +mp-757580,LiP4WO12,-7.8435155256,-2.5168195445,0.0242362212,0.01692652,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_5f_e:Li-O-P-W, expected LiP10WO42 to be LiP4WO12" +mp-1176594,LiP4WO12,-7.8565306294,-2.5298346484,0.0112211174,0.0039114161,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Li-O-P-W,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_5f_c:Li-O-P-W, expected LiP10WO46 to be LiP4WO12" +mp-757973,LiP4WO12,-7.8677517468,-2.5410557658,0.0,-0.0073097013,GGA+U,Pbcn,AB12C4D_oP72_60_c_6d_2d_c:Li-O-P-W,72.0,"Invalid WP multiplicities - AB12C4D_oP72_60_c_21d_5d_c:Li-O-P-W, expected LiP10WO42 to be LiP4WO12" +mp-757643,Li6Ni3P6WO24,-7.222942774,-2.3991322345,0.0818332648,0.0818332648,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-W,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-W +mp-753427,LiP2WO8,-7.9400883667,-2.5011577167,0.0621284814,0.0621284814,GGA+U,P2_1,AB8C2D_mP24_4_a_8a_2a_a:Li-O-P-W,24.0,"Invalid WP multiplicities - AB8C2D_mP24_4_a_14a_2a_a:Li-O-P-W, expected LiP2WO14 to be LiP2WO8" +mp-757790,LiP2WO8,-7.950672775,-2.511742125,0.0515440731,0.0515440731,GGA+U,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Li-O-P-W,12.0,"Invalid WP multiplicities - AB8C2D_mC24_12_a_4ij_i_d:Li-O-P-W, expected LiP2WO12 to be LiP2WO8" +mp-758239,LiP2WO8,-7.9538924677,-2.5149618177,0.0483243803,0.0483243803,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Li-O-P-W,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_29e_5e_e:Li-O-P-W, expected LiP5WO29 to be LiP2WO8" +mp-758479,LiP2WO8,-7.9409547823,-2.5020241323,0.0612620658,0.0612620658,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Li-O-P-W,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_27e_5e_e:Li-O-P-W, expected LiP5WO27 to be LiP2WO8" +mp-758460,LiP2WO8,-7.9401084635,-2.5011778135,0.0621083845,0.0621083845,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Li-O-P-W,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_31e_7e_e:Li-O-P-W, expected LiP7WO31 to be LiP2WO8" +mp-757989,LiP2WO8,-7.9455430477,-2.5066123977,0.0566738003,0.0566738003,GGA+U,P2_12_12_1,AB8C2D_oP48_19_a_8a_2a_a:Li-O-P-W,48.0,"Invalid WP multiplicities - AB8C2D_oP48_19_a_29a_5a_a:Li-O-P-W, expected LiP5WO29 to be LiP2WO8" +mp-798767,Li3P3WO11,-6.4696286239,-1.5063851698,1.126793754,1.126793754,GGA+U,P-1,A3B11C3D_aP36_2_3i_11i_3i_i:Li-O-P-W,36.0,"Invalid WP multiplicities - A3B11C3D_aP36_2_5i_21i_5i_i:Li-O-P-W, expected Li5P5WO21 to be Li3P3WO11" +mp-763535,LiP5W3O19,-8.2126305286,-2.4327408284,0.0970298148,0.0970298148,GGA+U,Cm,AB19C5D3_mC56_8_a_3a8b_a2b_ab:Li-O-P-W,28.0,AB19C5D3_mC56_8_a_3a8b_a2b_ab:Li-O-P-W +mp-753180,LiP2WO7,-7.9694696986,-2.4857897815,0.0471283785,0.0471283785,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-W,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-W, expected LiP3WO13 to be LiP2WO7" +mp-752528,LiP2WO7,-8.0013029323,-2.5176230151,0.0152951449,0.0152951449,GGA+U,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-W,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_13a_3a_a:Li-O-P-W, expected LiP3WO13 to be LiP2WO7" +mp-757956,LiP2WO7,-7.9751961827,-2.4915162656,0.0414018944,0.0414018944,GGA+U,C2,AB7C2D_mC22_5_a_b3c_c_a:Li-O-P-W,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_b5c_c_a:Li-O-P-W, expected LiP2WO11 to be LiP2WO7" +mp-758416,LiP2WO7,-7.9814478091,-2.4977678919,0.0351502681,0.0351502681,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-W,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_7e_e:Li-O-P-W, expected LiP7WO27 to be LiP2WO7" +mp-758019,LiP2WO7,-7.9666702382,-2.482990321,0.049927839,0.049927839,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-W,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_3e_e:Li-O-P-W, expected LiP3WO27 to be LiP2WO7" +mp-757615,LiP2WO7,-7.9687726691,-2.4850927519,0.0478254081,0.0478254081,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-W,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-W, expected LiP3WO25 to be LiP2WO7" +mp-757168,LiP4WO13,-7.8271652466,-2.5204696482,0.0040222211,0.0040222211,GGA+U,P1,AB13C4D_aP38_1_2a_26a_8a_2a:Li-O-P-W,38.0,AB13C4D_aP38_1_2a_26a_8a_2a:Li-O-P-W +mp-758454,LiP4WO13,-7.8303771487,-2.5236815503,0.000810319,0.000810319,GGA+U,P2_12_12_1,AB13C4D_oP76_19_a_13a_4a_a:Li-O-P-W,76.0,"Invalid WP multiplicities - AB13C4D_oP76_19_a_49a_13a_a:Li-O-P-W, expected LiP13WO49 to be LiP4WO13" +mp-776995,Li2P8W3O29,-7.9472404808,-2.484082645,0.0249244587,0.0249244587,GGA+U,Cc,A2B29C8D3_mC168_9_2a_29a_8a_3a:Li-O-P-W,84.0,"Invalid WP multiplicities - A2B29C8D3_mC168_9_2a_56a_12a_5a:Li-O-P-W, expected Li2P12W5O56 to be Li2P8W3O29" +mp-1203882,IrN4Cl3O,-5.0836167908,0.7693512726,1.3101089606,1.3101089606,GGA,Pnma,A3BC4D_oP36_62_cd_c_2cd_c:Cl-Ir-N-O,36.0,A3BC4D_oP36_62_cd_c_2cd_c:Cl-Ir-N-O +mp-1200098,IrWN5ClO4,-6.819636971,0.2732239073,1.2681055523,1.2681055523,GGA+U,Pnma,ABC5D4E_oP48_62_c_c_c2d_2cd_c:Cl-Ir-N-O-W,48.0,ABC5D4E_oP48_62_c_c_c2d_2cd_c:Cl-Ir-N-O-W +mp-1104768,IrN7ClO6,-5.714894886,0.8666096195,1.4407489242,1.4407489242,GGA,I4,ABC7D6_tI30_79_a_a_abc_bc:Cl-Ir-N-O,15.0,ABC7D6_tI30_79_a_a_abc_bc:Cl-Ir-N-O +mp-1212030,IrN7ClO6,-5.715416356,0.8660881495,1.4402274542,1.4402274542,GGA,I4mm,ABC7D6_tI30_107_a_a_abc_bd:Cl-Ir-N-O,15.0,ABC7D6_tI30_107_a_a_abc_bd:Cl-Ir-N-O +mp-1104586,IrN5(Cl2O)3,-4.228169058,0.8686439352,1.3666944528,1.3666944528,GGA,R3m,A6BC5D3_hR45_160_2b_a_5a_b:Cl-Ir-N-O,15.0,A6BC5D3_hR45_160_2b_a_5a_b:Cl-Ir-N-O +mp-1189172,MgHOF,-5.6687859019,-2.7059924584,0.0,-0.0136951594,GGA,Pnma,ABCD_oP16_62_c_c_c_c:F-H-Mg-O,16.0,ABCD_oP16_62_c_c_c_c:F-H-Mg-O +mp-2223616,MgCuH4(OF)2,-4.74714521,-1.4484725843,0.4695839085,0.4695839085,GGA,C2,AB2C4DE2_mC20_5_a_c_2c_b_2a:Cu-F-H-Mg-O,10.0,"Invalid WP multiplicities - AB2C4DE2_mC20_5_a_c_3c_b_2a:Cu-F-H-Mg-O, expected MgCuH6(OF)2 to be MgCuH4(OF)2" +mp-2227606,MgCuH4(OF)2,-4.6979741520000005,-1.3993015263,0.5187549665,0.5187549665,GGA,Immm,AB2C4DE2_oI20_71_a_f_n_b_g:Cu-F-H-Mg-O,10.0,AB2C4DE2_oI20_71_a_f_n_b_g:Cu-F-H-Mg-O +mp-1147650,KCuH3,-3.190195756,-0.1126390056,0.0,-0.00146093,GGA,I4/mcm,AB3C_tI20_140_d_bh_a:Cu-H-K,10.0,"Invalid WP multiplicities - AB3C_tI20_140_d_2b3h_a:Cu-H-K, expected KCuH8 to be KCuH3" +mp-707485,K4Cu3As4(HO8)2,-5.8540014602,-1.6709614296000002,0.0038337927,0.0038337927,GGA,P2_1/c,A4B3C2D4E16_mP58_14_2e_ae_e_2e_8e:As-Cu-H-K-O,58.0,A4B3C2D4E16_mP58_14_2e_ae_e_2e_8e:As-Cu-H-K-O +mp-1147754,K3Cu2H7,-3.0246812775,-0.0847902362,0.0553998,0.0553998,GGA,I4/mmm,A2B7C3_tI24_139_e_aeg_be:Cu-H-K,12.0,A2B7C3_tI24_139_e_aeg_be:Cu-H-K +mp-1147780,K2CuH4,-2.9426564029,-0.1010980109,0.0587713329,0.0587713329,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Cu-H-K,7.0,"Invalid WP multiplicities - AB4C2_tI14_139_a_2c2e_e:Cu-H-K, expected K2CuH8 to be K2CuH4" +mp-1211584,KCdN3,-3.749421672,1.6591330244,1.993405068,1.993405068,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Cd-K-N,5.0,ABC3_cP5_221_b_a_c:Cd-K-N +mp-1247196,KCdN,-3.0992440325,0.3573505115,0.5822046157,0.5822046157,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-K-N,12.0,ABC_oP12_62_c_c_c:Cd-K-N +mp-1245679,KCdN,-3.2057984233,0.2507961207,0.4756502249,0.4756502249,GGA,Cmcm,ABC_oC12_63_a_c_c:Cd-K-N,6.0,ABC_oC12_63_a_c_c:Cd-K-N +mp-1245676,KCdN,-3.08011664,0.376477904,0.6013320082,0.6013320082,GGA,P-6m2,ABC_hP3_187_b_c_a:Cd-K-N,3.0,ABC_hP3_187_b_c_a:Cd-K-N +mp-10102,KAgC2,-5.2451422425,0.3549292413,0.3801002589,0.3801002589,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Ag-C-K,4.0,AB2C_tP4_123_a_g_d:Ag-C-K +mp-27970,K2CdN12,-7.0476432087,-0.1688680917,0.0539799373,0.0539799373,GGA,C2/m,AB2C12_mC30_12_a_i_6i:Cd-K-N,15.0,AB2C12_mC30_12_a_i_6i:Cd-K-N +mp-1104038,K2CdN12,-6.977696328,-0.0989212111,0.123926818,0.123926818,GGA,C2/m,AB2C12_mC30_12_a_i_6i:Cd-K-N,15.0,AB2C12_mC30_12_a_i_6i:Cd-K-N +mp-582994,KAg(CN)2,-6.6433506903,-0.1311380594,0.1908847214,0.1908847214,GGA,P-31c,AB2CD2_hP36_163_h_i_bf_i:Ag-C-K-N,36.0,AB2CD2_hP36_163_h_i_bf_i:Ag-C-K-N +mp-20623,K2Cd(CN)4,-6.8640169214,-0.1908960737,0.1604015053,0.1604015053,GGA,Fd-3m,A4BC2D4_cF88_227_e_a_d_e:C-Cd-K-N,22.0,A4BC2D4_cF88_227_e_a_d_e:C-Cd-K-N +mp-1245921,Sn(C4N3)2,-8.204671917,0.3191857727,0.3191857727,0.3191857727,GGA,Pmna,A8B6C_oP30_53_2hi_hi_a:C-N-Sn,30.0,A8B6C_oP30_53_2hi_hi_a:C-N-Sn +mp-1246898,Sn(C4N3)2,-8.2227857242,0.3010719654,0.3010719654,0.3010719654,GGA,P31m,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Sn,45.0,A8B6C_hP45_157_4c2d_2c2d_ab:C-N-Sn +mp-1245869,SnCN2,-7.4491248025,0.0286819969,0.0286819969,0.0286819969,GGA,R-3m,AB2C_hR12_166_a_c_b:C-N-Sn,4.0,AB2C_hR12_166_a_c_b:C-N-Sn +mp-1245605,SnCN2,-7.43219477,0.0456120294,0.0456120294,0.0456120294,GGA,P6_3/mmc,AB2C_hP8_194_c_f_a:C-N-Sn,8.0,AB2C_hP8_194_c_f_a:C-N-Sn +mp-571553,SnH18C6Br3N,-4.9175788001,-0.3159852299,0.1076457291,0.1076457291,GGA,Pbcm,A3B6C18DE_oP116_57_de_2d2e_2d8e_c_d:Br-C-H-N-Sn,116.0,"Invalid WP multiplicities - A3B6C18DE_oP116_57_4d4e_7d7e_8d57e_c_d:Br-C-H-N-Sn, expected SnH122C21Br12N to be SnH18C6Br3N" +mp-570137,SnH16C4(Br3N)2,-4.7086249084,-0.5293486886000001,0.0562577504,0.0562577504,GGA,Pnnm,A6B4C16D2E_oP58_58_gh_2g_2g3h_g_a:Br-C-H-N-Sn,58.0,"Invalid WP multiplicities - A6B4C16D2E_oP58_58_4g4h_5g_7g22h_g_a:Br-C-H-N-Sn, expected SnH102C10(Br12N)2 to be SnH16C4(Br3N)2" +mp-1204363,SnH10C3Br3N,-4.8367444208,-0.4690550488,0.0721398855,0.0721398855,GGA,P2_1,A3B3C10DE_mP36_4_3a_3a_10a_a_a:Br-C-H-N-Sn,36.0,A3B3C10DE_mP36_4_3a_3a_10a_a_a:Br-C-H-N-Sn +mp-2646983,SnH5CBr3N2,-4.95867518,-0.664179979,0.0565383664,0.0565383664,GGA,Amm2,A3BC5D2E_oC24_38_ae_a_a2c_c_b:Br-C-H-N-Sn,12.0,A3BC5D2E_oC24_38_ae_a_a2c_c_b:Br-C-H-N-Sn +mp-568157,H8C2BrN,-5.0355185733,-0.4114633567,0.0493616102,0.0493616102,GGA,P2_1/m,AB2C8D_mP24_11_e_2e_2e3f_e:Br-C-H-N,24.0,"Invalid WP multiplicities - AB2C8D_mP24_11_e_2e_4e10f_e:Br-C-H-N, expected H24C2BrN to be H8C2BrN" +mp-758655,H8C2BrN,-5.0042352556,-0.380180039,0.0806449279,0.0806449279,GGA,C2/c,AB2C8D_mC96_15_f_2f_8f_f:Br-C-H-N,48.0,"Invalid WP multiplicities - AB2C8D_mC96_15_f_3f_29f_f:Br-C-H-N, expected H29C3BrN to be H8C2BrN" +mp-1203794,H14C5BrN3,-5.4977696,-0.2715085045,0.1159415465,0.1159415465,GGA,P2_1/c,AB5C14D3_mP92_14_e_5e_14e_3e:Br-C-H-N,92.0,AB5C14D3_mP92_14_e_5e_14e_3e:Br-C-H-N +mp-1200941,H11C4Br2N,-5.0205011886,-0.2606567414,0.1441693537,0.1441693537,GGA,Pnma,A2B4C11D_oP72_62_2c_2cd_c5d_c:Br-C-H-N,72.0,A2B4C11D_oP72_62_2c_2cd_c5d_c:Br-C-H-N +mp-583589,SnH14C4(Br2N)2,-4.8952803936,-0.4429803286,0.1170002282,0.1170002282,GGA,P2_1/c,A4B4C14D2E_mP50_14_2e_2e_7e_e_a:Br-C-H-N-Sn,50.0,"Invalid WP multiplicities - A4B4C14D2E_mP50_14_4e_6e_25e_e_a:Br-C-H-N-Sn, expected SnH50C12(Br4N)2 to be SnH14C4(Br2N)2" +mp-570929,SnH46C18(Br2N)2,-5.1335756581,-0.217011546,0.1234767625,0.1234767625,GGA,P2_1/c,A4B18C46D2E_mP142_14_2e_9e_23e_e_a:Br-C-H-N-Sn,142.0,"Invalid WP multiplicities - A4B18C46D2E_mP142_14_6e_32e_91e_e_a:Br-C-H-N-Sn, expected SnH182C64(Br6N)2 to be SnH46C18(Br2N)2" +mp-1193595,H10C3BrN,-5.0743718557,-0.3075198435,0.1035366132,0.1035366132,GGA,P2_1/m,AB3C10D_mP30_11_e_ef_2e4f_e:Br-C-H-N,30.0,AB3C10D_mP30_11_e_ef_2e4f_e:Br-C-H-N +mp-1246850,Sn(CN)2,-7.4622290675,0.3657494705,0.3657494705,0.3657494705,GGA,Pbca,A2B2C_oP40_61_2c_2c_c:C-N-Sn,40.0,A2B2C_oP40_61_2c_2c_c:C-N-Sn +mp-1246777,Sn11(CN5)2,-6.1430158609,0.2016611235,0.2016611235,0.2016611235,GGA,P4_2/mnm,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Sn,46.0,A2B10C11_tP46_136_f_3fi_ag2i:C-N-Sn +mp-1209085,SnHBr3N,-3.19598642,0.2036598825,1.1237157704,1.1237157704,GGA,P2_1/m,A3BCD_mP12_11_3e_e_e_e:Br-H-N-Sn,12.0,A3BCD_mP12_11_3e_e_e_e:Br-H-N-Sn +mp-1246078,Sn4CN4,-6.3362034219,0.1763446461,0.1763446461,0.1763446461,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-N-Sn,36.0,AB4C4_oP36_62_c_4c_4c:C-N-Sn +mp-2646941,SnH6CBr3N,-4.5556167206,-0.6731022596,0.0326989336,0.0326989336,GGA,Pnma,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Sn,48.0,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Sn +mp-1203918,SnH8C2Br3N,-4.7261996998,-0.5525802922,0.0544571457,0.0544571457,GGA,Pbca,A3B2C8DE_oP120_61_3c_2c_8c_c_c:Br-C-H-N-Sn,120.0,A3B2C8DE_oP120_61_3c_2c_8c_c_c:Br-C-H-N-Sn +mp-722397,MgP2H12O11,-5.84249634,-1.7058358236000002,0.030684722,0.030684722,GGA,P-1,A12BC11D2_aP52_2_12i_i_11i_2i:H-Mg-O-P,52.0,A12BC11D2_aP52_2_12i_i_11i_2i:H-Mg-O-P +mp-24638,Mg3P2(HO)16,-5.9196631984,-1.8910664075,0.0178725568,0.0178725568,GGA,C2/m,A16B3C16D2_mC74_12_4j_ag_2i3j_i:H-Mg-O-P,37.0,"Invalid WP multiplicities - A16B3C16D2_mC74_12_5j_ag_2i5j_i:H-Mg-O-P, expected Mg3P2(H5O6)4 to be Mg3P2(HO)16" +mp-766572,Mg3P2(HO)16,-5.9240954073,-1.8954986164,0.0134403478,0.0134403478,GGA,C2/c,A16B3C16D2_mC148_15_8f_3e_8f_f:H-Mg-O-P,74.0,"Invalid WP multiplicities - A16B3C16D2_mC148_15_29f_5e_31f_f:H-Mg-O-P, expected Mg5P2(H29O31)2 to be Mg3P2(HO)16" +mp-1211044,MgP2(HO)12,-5.9746129943,-1.8079514336,0.0034192506,0.0034192506,GGA,P-1,A12BC12D2_aP54_2_12i_i_12i_2i:H-Mg-O-P,54.0,A12BC12D2_aP54_2_12i_i_12i_2i:H-Mg-O-P +mp-1190717,MgPH13O9,-5.5485943462,-1.5636268653,0.0049637507,0.0049637507,GGA,R3,A13BC9D_hR72_146_a4b_a_3b_a:H-Mg-O-P,24.0,A13BC9D_hR72_146_a4b_a_3b_a:H-Mg-O-P +mp-1211337,Mg2P2H4O9,-6.6242251937,-2.3819741528,0.0042037825,0.0042037825,GGA,P2_1/c,A4B2C9D2_mP68_14_4e_2e_9e_2e:H-Mg-O-P,68.0,A4B2C9D2_mP68_14_4e_2e_9e_2e:H-Mg-O-P +mp-695815,BeP2(HO)4,-6.0184570452,-1.6617591449,0.0,-0.0330136444,GGA,P4_12_12,AB4C4D2_tP44_92_a_2b_2b_b:Be-H-O-P,44.0,AB4C4D2_tP44_92_a_2b_2b_b:Be-H-O-P +mp-697592,BePH3O5,-6.5370666113,-2.130632905,0.034343728,0.034343728,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Be-H-O-P,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_9a_17a_a:Be-H-O-P, expected BePH9O17 to be BePH3O5" +mp-698183,Mg3P2(H22O15)2,-5.5278006905,-1.5618759756,0.0137823856,0.0137823856,GGA,P-1,A44B3C30D2_aP79_2_22i_ai_15i_i:H-Mg-O-P,79.0,A44B3C30D2_aP79_2_22i_ai_15i_i:H-Mg-O-P +mp-706658,Mg3P2(H22O15)2,-5.5266902194,-1.5607655044,0.0148928568,0.0148928568,GGA,P-1,A44B3C30D2_aP79_2_22i_ai_15i_i:H-Mg-O-P,79.0,A44B3C30D2_aP79_2_22i_ai_15i_i:H-Mg-O-P +mp-1210771,MgP2(HO)18,-5.5311908036,-1.3635920683,0.18629241,0.18629241,GGA,P-1,A18BC18D2_aP39_2_9i_a_9i_i:H-Mg-O-P,39.0,A18BC18D2_aP39_2_9i_a_9i_i:H-Mg-O-P +mp-1197123,Mg7P6(HO6)4,-7.0567390188,-2.7647095398,0.0,-0.0023026782,GGA,P-1,A4B7C24D6_aP41_2_2i_a3i_12i_3i:H-Mg-O-P,41.0,A4B7C24D6_aP41_2_2i_a3i_12i_3i:H-Mg-O-P +mp-758660,MgP2(H8O5)2,-5.4169275886,-1.4108107301,0.0199595059,0.0199595059,GGA,P4_2/nmc,A16BC10D2_tP58_137_2gh_a_cfg_d:H-Mg-O-P,58.0,"Invalid WP multiplicities - A16BC10D2_tP58_137_10g3h_a_3c3f5g_d:H-Mg-O-P, expected MgP2(H32O19)2 to be MgP2(H8O5)2" +mp-24195,MgP2(H8O5)2,-5.4172641344,-1.4111472759,0.0196229601,0.0196229601,GGA,I4_1/acd,A16BC10D2_tI232_142_4g_b_d2g_e:H-Mg-O-P,116.0,"Invalid WP multiplicities - A16BC10D2_tI232_142_7g_b_d2g_e:H-Mg-O-P, expected MgP2(H14O5)2 to be MgP2(H8O5)2" +mp-24079,Mg2PHO5,-6.8553877725,-2.7731619716,0.0050983694,0.0030139602,GGA,P2_1/c,AB2C5D_mP144_14_4e_8e_20e_4e:H-Mg-O-P,144.0,AB2C5D_mP144_14_4e_8e_20e_4e:H-Mg-O-P +mp-23740,Mg2PHO5,-6.8604861419,-2.7782603411,0.0,-0.0020844092,GGA,Pnma,AB2C5D_oP36_62_c_ac_3cd_c:H-Mg-O-P,36.0,AB2C5D_oP36_62_c_ac_3cd_c:H-Mg-O-P +mp-707398,Mg2PHO5,-6.4488699817,-2.3666441808,0.4116161603,0.409531751,GGA,P31m,AB2C5D_hP54_157_2c_2d_ab5c2d_abc:H-Mg-O-P,54.0,AB2C5D_hP54_157_2c_2d_ab5c2d_abc:H-Mg-O-P +mp-1180996,Mg2PHO5,-6.4867356709,-2.40450987,0.373750471,0.3716660618,GGA,P31m,AB2C5D_hP54_157_2c_2d_ab5c2d_abc:H-Mg-O-P,54.0,AB2C5D_hP54_157_2c_2d_ab5c2d_abc:H-Mg-O-P +mp-1182664,Mg2Be3P3H13O19,-6.1852019059,-1.966421148,0.200972174,0.1997739319,GGA,P2_1,A3B13C2D19E3_mP80_4_3a_13a_2a_19a_3a:Be-H-Mg-O-P,80.0,"Invalid WP multiplicities - A3B13C2D19E3_mP80_4_6a_25a_2a_37a_6a:Be-H-Mg-O-P, expected Mg2Be6P6H25O37 to be Mg2Be3P3H13O19" +mp-1198243,Mg2Be3P3H13O19,-6.3861740799,-2.167393322,0.0,-0.0011982421,GGA,P6_3,A3B13C2D19E3_hP80_173_c_a4c_2b_a6c_c:Be-H-Mg-O-P,80.0,A3B13C2D19E3_hP80_173_c_a4c_2b_a6c_c:Be-H-Mg-O-P +mp-23734,MgP(HO)7,-5.9486394624,-1.8617965968,0.0068232534,0.0068232534,GGA,Pbca,A7BC7D_oP128_61_7c_c_7c_c:H-Mg-O-P,128.0,A7BC7D_oP128_61_7c_c_7c_c:H-Mg-O-P +mp-721158,Mg2P2H12O13,-6.0253036432,-1.9202405087,0.0090585653,0.0090585653,GGA,P2_1/c,A12B2C13D2_mP116_14_12e_ace_13e_2e:H-Mg-O-P,116.0,A12B2C13D2_mP116_14_12e_ace_13e_2e:H-Mg-O-P +mp-24674,Be3P2(H2O5)2,-6.9020480155,-2.4240145997,0.0,-0.0482561853,GGA,C2/c,A3B4C10D2_mC76_15_ef_2f_5f_f:Be-H-O-P,38.0,"Invalid WP multiplicities - A3B4C10D2_mC76_15_ef_3f_8f_f:Be-H-O-P, expected Be3P2(H3O8)2 to be Be3P2(H2O5)2" +mp-705909,Be2PH5O7,-6.3050231265,-2.0061844971,0.1205404187,0.1205404187,GGA,P2_1/c,A2B5C7D_mP60_14_2e_5e_7e_e:Be-H-O-P,60.0,A2B5C7D_mP60_14_2e_5e_7e_e:Be-H-O-P +mp-699232,Mg7P2(HO2)8,-6.3217492314,-2.4333433797,0.0,-0.0042797767,GGA,P2_1/c,A8B7C16D2_mP66_14_4e_a3e_8e_e:H-Mg-O-P,66.0,A8B7C16D2_mP66_14_4e_a3e_8e_e:H-Mg-O-P +mp-1200442,MgP2(H4O5)2,-6.202393566,-1.9626040166,0.0,-0.0051130448,GGA,P2_1/c,A8BC10D2_mP42_14_4e_a_5e_e:H-Mg-O-P,42.0,A8BC10D2_mP42_14_4e_a_5e_e:H-Mg-O-P +mp-1017628,Mg(BeP)2,-4.45368807,-0.4725459113,0.0,-0.0954962352,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Be-Mg-P,5.0,A2BC2_hP5_164_d_a_d:Be-Mg-P +mp-1198606,Mg2PH7O8,-6.0165397463,-2.0200700456,0.0100871351,0.0100871351,GGA,P2_1/c,A7B2C8D_mP72_14_7e_2e_8e_e:H-Mg-O-P,72.0,A7B2C8D_mP72_14_7e_2e_8e_e:H-Mg-O-P +mp-632723,MgPHO9,-5.2633373533,-0.6861284364,0.8435430045000001,0.8435430045000001,GGA,P1,ABC9D_aP12_1_a_a_9a_a:H-Mg-O-P,12.0,ABC9D_aP12_1_a_a_9a_a:H-Mg-O-P +mp-720260,MgPHO9,-5.2619997692,-0.6847908523,0.8448805887,0.8448805887,GGA,R3,ABC9D_hR36_146_a_a_3b_a:H-Mg-O-P,12.0,ABC9D_hR36_146_a_a_3b_a:H-Mg-O-P +mp-555505,Na2YbC2O6F,-6.9212851552,-2.401818398,0.0090226481,0.0090226481,GGA,C2/c,A2BC2D6E_mC96_15_2f_f_2f_6f_f:C-F-Na-O-Yb,,"Invalid WP multiplicities - A2BC2D6E_mC96_15_4f_f_4f_22f_f:C-F-Na-O-Yb, expected Na4YbC4O22F to be Na2YbC2O6F" +mp-1210693,Na7YbC4(O3F)4,-6.3796239468,-2.2825479572000003,0.0210530658,0.0210530658,GGA,Cc,A4B4C7D12E_mC112_9_4a_4a_7a_12a_a:C-F-Na-O-Yb,,A4B4C7D12E_mC112_9_4a_4a_7a_12a_a:C-F-Na-O-Yb +mp-1221357,Na3YbC2(O3F)2,-6.5864812566,-2.4816523032,0.00574974,0.00574974,GGA,Cc,A2B2C3D6E_mC112_9_4a_4a_6a_12a_2a:C-F-Na-O-Yb,,A2B2C3D6E_mC112_9_4a_4a_6a_12a_2a:C-F-Na-O-Yb +mp-555433,NaYbCO3F2,-6.5882695919,-2.7440417,0.0513976075,0.0513976075,GGA,Pnma,AB2CD3E_oP32_62_c_d_c_3c_c:C-F-Na-O-Yb,,"Invalid WP multiplicities - AB2CD3E_oP32_62_c_d_c_8c_c:C-F-Na-O-Yb, expected NaYbC(O4F)2 to be NaYbCO3F2" +mp-1046772,Sr2YGaW2O7,-8.0015216142,-2.3540881157,0.4029837998,0.4029837998,GGA+U,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Ga-O-Sr-W-Y,26.0,"Invalid WP multiplicities - AB7C2D2E_oI52_46_b_2b7c_c_c_a:Ga-O-Sr-W-Y, expected Sr2YGa(WO8)2 to be Sr2YGaW2O7" +mp-1047238,Sr2Y2W2O7,-8.4878021815,-2.5758782914,0.488039733,0.488039733,GGA+U,Ima2,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-W-Y,26.0,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-W-Y +mp-1048748,Sr2YW2O7,-8.2713496454,-2.4056380239,0.5007668859000001,0.5007668859000001,GGA+U,Ima2,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-W-Y,24.0,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-W-Y +mp-1523213,Sr2YWO6,-8.27638078,-3.0280087283,0.1314246453,0.1314246453,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Y,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-W-Y +mp-775134,MnV3(PO4)4,-8.3301870079,-2.6129385534000003,0.0327175559,0.0327175559,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-V,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Mn-O-P-V +mp-725694,Mn2V(PO5)2,-8.1626288915,-2.3158669728,0.1487137616,0.1487137616,GGA+U,P2_1/c,A2B10C2D_mP60_14_2e_10e_2e_e:Mn-O-P-V,60.0,A2B10C2D_mP60_14_2e_10e_2e_e:Mn-O-P-V +mp-1221555,MnVP2,-7.9497356638,-0.6816040699,0.03401506,0.03401506,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Mn-P-V,8.0,AB2C_oP8_26_a_ab_b:Mn-P-V +mp-765562,TiMn2V3(PO4)6,-8.4082790181,-2.7229572147,0.0,-0.0011136467,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Mn-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Mn-O-P-Ti-V, expected TiMn2V3(PO10)6 to be TiMn2V3(PO4)6" +mp-756523,Mn3V(PO4)4,-8.21867838,-2.4949208236,0.0291315384,0.0291315384,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-V,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Mn-O-P-V +mp-772136,Mn7V(PO4)12,-7.7717253456,-2.2479209142,0.0591314865,0.0591314865,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-V,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-V +mp-774413,MnV3(PO4)6,-8.0034348426,-2.4853737364,0.0209683466,0.0209683466,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Mn-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Mn-O-P-V, expected MnV3(PO10)6 to be MnV3(PO4)6" +mp-1176429,MnV(PO4)2,-8.2756693925,-2.555166387,0.0342411234,0.0342411234,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-V,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-V +mp-768621,MnV(PO4)2,-8.3063522392,-2.5858492337,0.0035582767,0.0035582767,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Mn-O-P-V,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Mn-O-P-V, expected MnV(PO10)2 to be MnV(PO4)2" +mp-774043,MnV(P2O7)2,-7.9581961805,-2.5005575132,0.0095450555,0.0095450555,GGA+U,P1,AB14C4D_aP20_1_a_14a_4a_a:Mn-O-P-V,20.0,AB14C4D_aP20_1_a_14a_4a_a:Mn-O-P-V +mp-1210613,Mn2VPO7,-8.5926087191,-2.4609668882,0.0,-0.0004967798,GGA+U,Cm,A2B7CD_mC22_8_b_3a2b_a_a:Mn-O-P-V,11.0,A2B7CD_mC22_8_b_3a2b_a_a:Mn-O-P-V +mp-775212,MnV2(PO4)3,-8.3375993508,-2.619266046,0.0076405303,0.0076405303,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Mn-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Mn-O-P-V, expected MnV2(PO26)3 to be MnV2(PO4)3" +mp-774589,Ti3Mn2V(PO4)6,-8.4846917511,-2.8653929507,0.0103941604,0.0103941604,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Mn-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Mn-O-P-Ti-V, expected Ti3Mn2V(PO10)6 to be Ti3Mn2V(PO4)6" +mp-772144,Mn5V(PO4)6,-8.1837761592,-2.4589337525,0.0381830298,0.0381830298,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Mn-O-P-V,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Mn-O-P-V, expected Mn5V(PO10)6 to be Mn5V(PO4)6" +mp-774314,Ti3MnV2(PO4)6,-8.4804400325,-2.8633109327,0.0157527468,0.0157527468,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Mn-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Mn-O-P-Ti-V, expected Ti3MnV2(PO10)6 to be Ti3MnV2(PO4)6" +mp-774638,Mn3V(PO4)6,-7.8316730224,-2.309017256,0.0399074386,0.0399074386,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Mn-O-P-V,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Mn-O-P-V, expected Mn3V(PO10)6 to be Mn3V(PO4)6" +mp-1221742,Mn3VP4,-7.9045197675,-0.6266245209,0.0393500531,0.0393500531,GGA,Pm,A3B4C_mP8_6_a2b_2a2b_a:Mn-P-V,8.0,A3B4C_mP8_6_a2b_2a2b_a:Mn-P-V +mp-771878,MnV5(PO4)6,-8.2990775719,-2.5829139677,0.0814916745,0.0814916745,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Mn-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Mn-O-P-V, expected MnV5(PO10)6 to be MnV5(PO4)6" +mp-24328,RbHCO2,-6.2625390425,-1.563478436,0.0792704912,0.0792704912,GGA,Pbcm,ABC2D_oP20_57_d_d_2d_c:C-H-O-Rb,20.0,ABC2D_oP20_57_d_d_2d_c:C-H-O-Rb +mp-1203970,CeH(CO2)3,-8.0789805711,-2.0160765761,0.0753162024,0.0753162024,GGA,Pnma,A3BCD6_oP44_62_cd_c_c_2c2d:C-Ce-H-O,44.0,"Invalid WP multiplicities - A3BCD6_oP44_62_cd_c_c_2c3d:C-Ce-H-O, expected CeHC3O8 to be CeH(CO2)3" +mp-642731,CeH3(CO2)3,-7.3785606038,-1.7264532165,0.1347749933,0.1347749933,GGA,R3m,A3BC3D6_hR39_160_b_a_b_2b:C-Ce-H-O,13.0,A3BC3D6_hR39_160_b_a_b_2b:C-Ce-H-O +mp-1195398,CeCO4,-8.6274970924,-2.8027455103000003,0.0470821043,0.0470821043,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Ce-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Ce-O +mp-1228140,Ce4C10O31,-7.5572086524,-1.5712895059,0.6567561279,0.6567561279,GGA,P1,A10B4C31_aP45_1_10a_4a_31a:C-Ce-O,45.0,A10B4C31_aP45_1_10a_4a_31a:C-Ce-O +mp-1200051,RbH(CO)4,-7.247985877,-1.1405181838,0.2329760429,0.2329760429,GGA,P2_1/c,A4BC4D_mP40_14_4e_e_4e_e:C-H-O-Rb,40.0,A4BC4D_mP40_14_4e_e_4e_e:C-H-O-Rb +mp-542063,Rb4H6C2O9,-5.9060013705,-1.7509527064,0.0,-0.0098380325,GGA,C2/c,A2B6C9D4_mC84_15_f_3f_e4f_2ef:C-H-O-Rb,42.0,A2B6C9D4_mC84_15_f_3f_e4f_2ef:C-H-O-Rb +mp-1201526,Ce(CO2)3,-8.344137784499999,-2.0142159945,0.2267837537,0.2267837537,GGA,Pnma,A3BC6_oP40_62_cd_c_2c2d:C-Ce-O,40.0,A3BC6_oP40_62_cd_c_2c2d:C-Ce-O +mp-23688,RbH3(CO2)2,-6.3316479537,-1.39136815,0.1011906931,0.1011906931,GGA,Pbca,A2B3C4D_oP80_61_2c_3c_4c_c:C-H-O-Rb,80.0,A2B3C4D_oP80_61_2c_3c_4c_c:C-H-O-Rb +mp-863420,Rb4H4C3O10,-6.3644094163,-1.8574606515,0.0,-0.0400315877,GGA,Pnma,A3B4C10D4_oP84_62_cd_2d_2c4d_2d:C-H-O-Rb,84.0,"Invalid WP multiplicities - A3B4C10D4_oP84_62_3c2d_5d_7c14d_5d:C-H-O-Rb, expected Rb10H10(CO5)7 to be Rb4H4C3O10" +mp-1206355,CeCO,-8.8080901667,-2.1052757138,0.0604910317,0.0604910317,GGA,C2/m,ABC_mC12_12_i_i_i:C-Ce-O,6.0,ABC_mC12_12_i_i_i:C-Ce-O +mp-1179716,RbHCO3,-6.0595143596,-1.3191824023,0.5273886593,0.5273886593,GGA,C2/c,ABC3D_mC48_15_f_f_3f_f:C-H-O-Rb,24.0,ABC3D_mC48_15_f_f_3f_f:C-H-O-Rb +mp-605125,Rb4CeH12C3O17,-5.6256298386,-1.2378557156,0.5507728201000001,0.5507728201000001,GGA,P-1,A3BC12D17E4_aP74_2_3i_i_12i_17i_4i:C-Ce-H-O-Rb,74.0,"Invalid WP multiplicities - A3BC12D17E4_aP74_2_5i_i_22i_32i_4i:C-Ce-H-O-Rb, expected Rb4CeH22C5O32 to be Rb4CeH12C3O17" +mp-1179935,Rb4CeH12C3O17,-5.6912708077000005,-1.3034966846,0.485131851,0.485131851,GGA,P-1,A3BC12D17E4_aP74_2_3i_i_12i_17i_4i:C-Ce-H-O-Rb,74.0,"Invalid WP multiplicities - A3BC12D17E4_aP74_2_5i_i_22i_32i_4i:C-Ce-H-O-Rb, expected Rb4CeH22C5O32 to be Rb4CeH12C3O17" +mp-974667,Rb2H2C2O5,-6.4504418077,-1.7288695553,0.0441610666,0.0441610666,GGA,C2/c,A2B2C5D2_mC44_15_f_f_e2f_f:C-H-O-Rb,22.0,"Invalid WP multiplicities - A2B2C5D2_mC44_15_f_f_2e7f_f:C-H-O-Rb, expected RbHCO8 to be Rb2H2C2O5" +mp-1209330,RbH(CO2)2,-7.0186154447,-1.6914472012,0.0254205821,0.0254205821,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:C-H-O-Rb,32.0,A2BC4D_mP32_14_2e_e_4e_e:C-H-O-Rb +mp-1227293,Ca4Tl2CO9,-6.5696085906,-2.4135742339,0.020161425,0.020161425,GGA,Imm2,AB4C9D2_oI32_44_a_2c_a3cd_c:C-Ca-O-Tl,16.0,"Invalid WP multiplicities - AB4C9D2_oI32_44_a_4c_a3cd_c:C-Ca-O-Tl, expected Ca8Tl2CO9 to be Ca4Tl2CO9" +mp-1233233,CaTl6C2(O3F)2,-5.6601742171,-1.6518283378,0.1499608137,0.1499608137,GGA,P1,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl,17.0,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl +mp-1233347,CaTl6C2(O3F)2,-5.5845874029,-1.5762415237,0.2255476278,0.2255476278,GGA,P1,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl,17.0,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl +mp-1233612,CaTl6C2(O3F)2,-5.6224506482,-1.614104769,0.1876843825,0.1876843825,GGA,P1,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl,17.0,A2BC2D6E6_aP17_1_2a_a_2a_6a_6a:C-Ca-F-O-Tl +mp-1228715,Ba5Nb3O3F20,-6.6829723044,-3.6839905204,0.0,-0.0003110484,GGA,P6_3/m,A5B20C3D3_hP62_176_bch_f2h2i_h_h:Ba-F-Nb-O,62.0,A5B20C3D3_hP62_176_bch_f2h2i_h_h:Ba-F-Nb-O +mp-733796,Ba3Nb2(OF3)4,-6.486824825,-3.2161563795,0.1556312222,0.1556312222,GGA,Cmc2_1,A3B12C2D4_oC84_36_ab_6b_b_2ab:Ba-F-Nb-O,42.0,A3B12C2D4_oC84_36_ab_6b_b_2ab:Ba-F-Nb-O +mp-558153,Ba4Nb2(OF4)3,-6.927359312,-3.8008677128,0.0,-0.0334566732,GGA,C2/c,A4B12C2D3_mC252_15_6f_2e17f_3f_c4f:Ba-F-Nb-O,126.0,"Invalid WP multiplicities - A4B12C2D3_mC252_15_21f_4e65f_8f_2a13f:Ba-F-Nb-O, expected Ba21Nb8O14F67 to be Ba4Nb2(OF4)3" +mp-1197491,BaPO3F,-7.2998530321,-3.2858826074,0.0,-0.0081692869,GGA,P2_1/c,ABC3D_mP48_14_2e_2e_6e_2e:Ba-F-O-P,48.0,ABC3D_mP48_14_2e_2e_6e_2e:Ba-F-O-P +mp-1228528,Ba2NbP2O9F,-7.981785023,-3.2352825362,0.0,-0.0073258644,GGA,P2_1,A2BCD9E2_mP30_4_2a_a_a_9a_2a:Ba-F-Nb-O-P,30.0,A2BCD9E2_mP30_4_2a_a_a_9a_2a:Ba-F-Nb-O-P +mp-1228113,Ba5P3O12F,-7.5335060148,-3.3855762185,0.0,-0.0280524512,GGA,P6_3,A5BC12D3_hP42_173_2bc_a_4c_c:Ba-F-O-P,42.0,A5BC12D3_hP42_173_2bc_a_4c_c:Ba-F-O-P +mp-1214497,Ba5P3O12F,-7.5335035033,-3.385573707,2.5114e-06,-0.0280499398,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Ba-F-O-P,42.0,A5BC12D3_hP42_176_fh_a_2hi_h:Ba-F-O-P +mp-695140,Ba4NbP4(O9F)2,-7.3234805376,-2.7616264147000003,0.2110840177,0.2110840177,GGA,P-1,A4B2CD18E4_aP29_2_2i_i_a_9i_2i:Ba-F-Nb-O-P,29.0,"Invalid WP multiplicities - A4B2CD18E4_aP29_2_3i_i_a_17i_3i:Ba-F-Nb-O-P, expected Ba6NbP6(O17F)2 to be Ba4NbP4(O9F)2" +mp-1201576,ZnCu2PH7O9,-5.6598761648,-1.5028391561,0.0304538046,0.0304538046,GGA,P2_1/c,A2B7C9DE_mP80_14_2e_7e_9e_e_e:Cu-H-O-P-Zn,80.0,A2B7C9DE_mP80_14_2e_7e_9e_e_e:Cu-H-O-P-Zn +mp-1227772,K6Mo7H18O35,-6.491285532,-1.6915110145,0.0260999763,0.0260999763,GGA+U,Ama2,A18B6C7D35_oC264_40_4b7c_ab2c_b3c_a6b14c:H-K-Mo-O,132.0,A18B6C7D35_oC264_40_4b7c_ab2c_b3c_a6b14c:H-K-Mo-O +mp-735596,K4Mo3H4O17,-6.4760207261,-1.6673364979,0.0028029662,0.0028029662,GGA+U,P-1,A4B4C3D17_aP56_2_4i_4i_3i_17i:H-K-Mo-O,56.0,A4B4C3D17_aP56_2_4i_4i_3i_17i:H-K-Mo-O +mp-644594,K2MgMo2(H2O5)2,-6.4672696879,-1.8067344533,0.1907126437,0.1894242544,GGA+U,P-1,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O,19.0,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O +mp-1181784,K2MgMo2(H2O5)2,-6.6579823316,-1.997447097,0.0,-0.0012883893,GGA+U,P-1,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O,19.0,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O +mp-1418671,K2MgMo2(H2O5)2,-4.4908642368,0.1696709977,2.1671180947,2.1658297054,GGA+U,P-1,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O,19.0,A4B2CD2E10_aP19_2_2i_i_a_i_5i:H-K-Mg-Mo-O +mp-557442,K2Mo2H8O15,-6.0820718409,-1.4430260208,0.0006611533,0.0006611533,GGA+U,P-1,A8B2C2D15_aP54_2_8i_2i_2i_15i:H-K-Mo-O,54.0,"Invalid WP multiplicities - A8B2C2D15_aP54_2_15i_4i_4i_29i:H-K-Mo-O, expected K4Mo4H15O29 to be K2Mo2H8O15" +mp-696904,CaBi2(CO)2,-5.7443208786,-0.3104228004,1.1222320141,1.1222320141,GGA,I4/mmm,A2B2CD2_tI14_139_e_e_a_d:Bi-C-Ca-O,7.0,A2B2CD2_tI14_139_e_e_a_d:Bi-C-Ca-O +mp-556666,CaBiCO4F,-7.1226020806,-2.5259785412,0.0051668883,0.0051668883,GGA,Pcca,ABCDE4_oP32_54_c_c_c_d_cef:Bi-C-Ca-F-O,32.0,"Invalid WP multiplicities - ABCDE4_oP32_54_c_c_c_d_3c3e4f:Bi-C-Ca-F-O, expected CaBiCO14F to be CaBiCO4F" +mp-556839,CaBiCO4F,-7.0001599012,-2.4035363619,0.1276090677,0.1276090677,GGA,Pmmn,ABCDE4_oP16_59_a_a_a_b_abe:Bi-C-Ca-F-O,16.0,"Invalid WP multiplicities - ABCDE4_oP16_59_a_a_a_b_ab2e:Bi-C-Ca-F-O, expected CaBiCO6F to be CaBiCO4F" +mp-556411,CaBi2(CO4)2,-7.1664713331,-1.9574391165,0.1829826979,0.1829826979,GGA,Immm,A2B2CD8_oI26_71_e_e_a_efm:Bi-C-Ca-O,13.0,"Invalid WP multiplicities - A2B2CD8_oI26_71_e_e_a_2e2f2m:Bi-C-Ca-O, expected CaBi2(CO8)2 to be CaBi2(CO4)2" +mp-698457,NaLiH4C2O5,-6.1273866483,-1.5125307343,0.0808409514,0.0808409514,GGA,P-1,A2B4CDE5_aP52_2_4i_8i_2i_2i_10i:C-H-Li-Na-O,52.0,A2B4CDE5_aP52_2_4i_8i_2i_2i_10i:C-H-Li-Na-O +mp-1196094,Cr3H4NO8,-7.0959229655,-1.4434197652,0.2659369665,0.2659369665,GGA+U,Pnma,A3B4CD8_oP64_62_3c_2cd_c_4c2d:Cr-H-N-O,64.0,A3B4CD8_oP64_62_3c_2cd_c_4c2d:Cr-H-N-O +mp-1194835,CrH12N3O8,-5.3699237269,-0.5803922904000001,0.6545386622,0.6545386622,GGA+U,Cmc2_1,AB12C3D8_oC96_36_a_2a5b_ab_4a2b:Cr-H-N-O,48.0,AB12C3D8_oC96_36_a_2a5b_ab_4a2b:Cr-H-N-O +mp-602511,Cr3H8(NO5)2,-6.4993610935,-1.1845424965,0.3401861874,0.3401861874,GGA+U,Pbca,A3B8C2D10_oP184_61_3c_8c_2c_10c:Cr-H-N-O,184.0,"Invalid WP multiplicities - A3B8C2D10_oP184_61_17c_59c_7c_74c:Cr-H-N-O, expected Cr17H59N7O74 to be Cr3H8(NO5)2" +mp-1213765,CrH14N3O8,-5.2537915408,-0.5717066729,0.6435067907,0.6435067907,GGA+U,I-42m,AB14C3D8_tI52_121_a_eij_bd_2i:Cr-H-N-O,26.0,AB14C3D8_tI52_121_a_eij_bd_2i:Cr-H-N-O +mp-728425,CrH8(NO2)2,-5.8748355853,-0.9911955503,0.1654670187,0.1654670187,GGA+U,C2/m,AB8C2D4_mC60_12_i_4i2j_2i_2ij:Cr-H-N-O,30.0,AB8C2D4_mC60_12_i_4i2j_2i_2ij:Cr-H-N-O +mp-1209231,RbCrH8(NO4)2,-5.3987372045,-0.6976427324000001,0.6869528683,0.6869528683,GGA+U,I-42m,AB8C2D8E_tI40_121_a_j_d_2i_b:Cr-H-N-O-Rb,20.0,AB8C2D8E_tI40_121_a_j_d_2i_b:Cr-H-N-O-Rb +mp-1198067,Cr2H8N2O7,-6.2668739021,-1.122257369,0.3217744638,0.3217744638,GGA+U,C2/c,A2B8C2D7_mC76_15_f_4f_f_e3f:Cr-H-N-O,38.0,A2B8C2D7_mC76_15_f_4f_f_e3f:Cr-H-N-O +mp-1029584,KSi5N7,-7.8666660903,-1.2057081232,0.0,-0.0029699872,GGA,Pna2_1,AB7C5_oP104_33_2a_14a_10a:K-N-Si,104.0,AB7C5_oP104_33_2a_14a_10a:K-N-Si +mp-1029418,KSi2N3,-7.2514943125,-1.0897410155,0.0,-0.0262233063,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:K-N-Si,12.0,AB3C2_oC24_36_a_ab_b:K-N-Si +mp-1203487,KLa2N7,-7.283876517,-0.3500887538,0.417555249,0.417555249,GGA,Pnnm,AB2C7_oP40_58_g_h_e3h:K-La-N,40.0,AB2C7_oP40_58_g_h_e3h:K-La-N +mp-567129,KLaSi(CN2)4,-8.3895463303,-0.7176566335,0.0,-0.1137362827,GGA,P2_12_12,A4BCD8E_oP30_18_2c_b_a_4c_a:C-K-La-N-Si,30.0,"Invalid WP multiplicities - A4BCD8E_oP30_18_4c_b_a_11c_a:C-K-La-N-Si, expected KLaSi(C4N11)2 to be KLaSi(CN2)4" +mp-1247442,K3Si3N5,-6.3846517082,-0.8128675667,0.1040623583,0.1040623583,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:K-N-Si,22.0,A3B5C3_aP22_2_3i_5i_3i:K-N-Si +mp-1182770,Na3AsSO15,-4.8485150133,-0.5003412722,0.7466150722,0.7466150722,GGA,P2_12_12_1,AB3C15D_oP80_19_a_3a_15a_a:As-Na-O-S,80.0,AB3C15D_oP80_19_a_3a_15a_a:As-Na-O-S +mp-721287,Na3AsH14SO10,-5.1723244314,-1.3885935385,0.0359543164,0.0359543164,GGA,P2_1,AB14C3D10E_mP58_4_a_14a_3a_10a_a:As-H-Na-O-S,58.0,AB14C3D10E_mP58_4_a_14a_3a_10a_a:As-H-Na-O-S +mp-1180732,Na3As(SO2)4,-5.0685977442,-1.021972529,0.8018868458,0.8018868458,GGA,P2_1/c,AB3C8D4_mP64_14_e_ad2e_8e_4e:As-Na-O-S,64.0,AB3C8D4_mP64_14_e_ad2e_8e_4e:As-Na-O-S +mp-1204424,Na3As(SO2)4,-5.1828577145,-1.1362324994,0.6876268755,0.6876268755,GGA,P2_1/c,AB3C8D4_mP64_14_e_ad2e_8e_4e:As-Na-O-S,64.0,AB3C8D4_mP64_14_e_ad2e_8e_4e:As-Na-O-S +mp-1180715,Na3AsH16(SO2)4,-4.9183375805,-1.1986619504,0.0108835958,0.0108835958,GGA,P2_1/c,AB16C3D8E4_mP128_14_e_16e_ad2e_8e_4e:As-H-Na-O-S,128.0,AB16C3D8E4_mP128_14_e_16e_ad2e_8e_4e:As-H-Na-O-S +mp-720287,Na3AsH22S2O13,-5.1109067571,-1.3097721167,0.0233443477,0.0233443477,GGA,Pnma,AB22C3D13E2_oP164_62_c_2c10d_ad_c6d_2c:As-H-Na-O-S,164.0,AB22C3D13E2_oP164_62_c_2c10d_ad_c6d_2c:As-H-Na-O-S +mp-9702,Sr3BPO3,-6.5897902456,-2.5896351492000003,0.0,-0.0324095216,GGA,P6_3/mmc,AB3CD3_hP16_194_c_h_a_bf:B-O-P-Sr,16.0,"Invalid WP multiplicities - AB3CD3_hP16_194_c_h_a_b2f:B-O-P-Sr, expected Sr5BPO3 to be Sr3BPO3" +mp-6486,SrBPO5,-7.9371738767,-3.1227199658,0.0,-0.0155797808,GGA,P3_121,AB5CD_hP24_152_a_b2c_b_a:B-O-P-Sr,24.0,"Invalid WP multiplicities - AB5CD_hP24_152_a_b3c_b_a:B-O-P-Sr, expected SrBPO7 to be SrBPO5" +mp-558022,SrBPO5,-7.9370710421,-3.1226171312,0.0001028346,-0.0154769462,GGA,P3_221,AB5CD_hP24_154_a_b2c_b_a:B-O-P-Sr,24.0,"Invalid WP multiplicities - AB5CD_hP24_154_a_3b7c_b_a:B-O-P-Sr, expected SrBPO17 to be SrBPO5" +mp-1196974,SrCo2BPO7,-7.5648746406,-2.346070949,0.3036643692,0.3036643692,GGA+U,P2_1/c,AB2C7DE_mP48_14_e_2e_7e_e_e:B-Co-O-P-Sr,48.0,AB2C7DE_mP48_14_e_2e_7e_e_e:B-Co-O-P-Sr +mp-6044,Sr6B(PO4)5,-7.7141218141,-3.2511018375000003,0.0,-0.0074539539,GGA,I-4c2,AB20C5D6_tI128_120_b_5i_ci_ei:B-O-P-Sr,64.0,"Invalid WP multiplicities - AB20C5D6_tI128_120_b_11i_ci_ei:B-O-P-Sr, expected Sr6BP5O44 to be Sr6B(PO4)5" +mp-1214049,Ca3BCBr2N,-5.5742882034,-1.4033621424,0.0,-0.0105825822,GGA,Pnma,AB2CD3E_oP32_62_c_2c_c_3c_c:B-Br-C-Ca-N,32.0,AB2CD3E_oP32_62_c_2c_c_3c_c:B-Br-C-Ca-N +mp-1227328,Ca(BC3)2,-8.0140236622,-0.154426287,0.0295529756,0.0295529756,GGA,Fmm2,A2B6C_oF36_42_c_2bc_a:B-C-Ca,9.0,A2B6C_oF36_42_c_2bc_a:B-C-Ca +mp-15607,Ca(BC)2,-6.95056215,-0.1862192687,0.144943404,0.036735455,GGA,P4_2/mmc,A2B2C_tP10_131_j_l_f:B-C-Ca,10.0,A2B2C_tP10_131_j_l_f:B-C-Ca +mp-10289,Ca(BC)2,-7.095505554,-0.3311626727,0.0,-0.108207949,GGA,I4/mcm,A2B2C_tI20_140_h_h_a:B-C-Ca,10.0,A2B2C_tI20_140_h_h_a:B-C-Ca +mp-1238800,CaBC,-6.0401730017,-0.0689539539,0.20701494,0.20701494,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Ca,6.0,ABC_hP6_194_c_d_a:B-C-Ca +mp-1209291,Rb3YbV2O8,-6.9418231079,-2.497356513,0.0,-0.00358279,GGA+U,P-3m1,A8B3C2D_hP14_164_di_ad_d_b:O-Rb-V-Yb,,A8B3C2D_hP14_164_di_ad_d_b:O-Rb-V-Yb +mp-1104501,K3YbV2O8,-6.97900751,-2.5067127278,0.0,-0.0005585086,GGA+U,P-3m1,A3B8C2D_hP14_164_ad_di_d_b:K-O-V-Yb,,A3B8C2D_hP14_164_ad_di_d_b:K-O-V-Yb +mp-1211727,K2RbYbV2O8,-6.9742991907,-2.511280471,0.0,-0.0076864814,GGA+U,P-3m1,A2B8CD2E_hP14_164_d_di_a_d_b:K-O-Rb-V-Yb,,A2B8CD2E_hP14_164_d_di_a_d_b:K-O-Rb-V-Yb +mp-1191186,CsAlH4(OF2)2,-5.4446172738,-2.4653526342,0.0,-0.0028848824,GGA,C2/c,ABC4D4E2_mC48_15_c_e_2f_2f_f:Al-Cs-F-H-O,24.0,ABC4D4E2_mC48_15_a_e_2f_2f_f:Al-Cs-F-H-O +mp-1229104,AlH15(OF)6,-5.2121146479,-1.7912049129,0.0,-0.0019757228,GGA,P-1,AB6C15D6_aP56_2_be_6i_15i_6i:Al-F-H-O,56.0,"Invalid WP multiplicities - AB6C15D6_aP56_2_be_12i_30i_12i:Al-F-H-O, expected AlH30(OF)12 to be AlH15(OF)6" +mp-721369,AlH12(OF)5,-4.9997337137,-1.575858637,0.269466585,0.269466585,GGA,P1,AB5C12D5_aP46_1_2a_10a_24a_10a:Al-F-H-O,46.0,AB5C12D5_aP46_1_2a_10a_24a_10a:Al-F-H-O +mp-1228800,AlH12(OF)5,-5.2668436067,-1.8429685301,0.002356692,0.002356692,GGA,Pc,AB5C12D5_mP46_7_a_5a_12a_5a:Al-F-H-O,46.0,"Invalid WP multiplicities - AB5C12D5_mP46_7_a_7a_17a_7a:Al-F-H-O, expected AlH17(OF)7 to be AlH12(OF)5" +mp-1041040,CaP2(WO4)2,-8.2069457879,-2.1821784769,0.3890964829,0.3890964829,GGA+U,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Ca-O-P-W,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Ca-O-P-W, expected Ca2P12W7O60 to be CaP2(WO4)2" +mp-1041006,CaP2W2O9,-8.4848674504,-2.5371057536,0.0688118577,0.0688118577,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Ca-O-P-W,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Ca-O-P-W, expected CaP2W2O11 to be CaP2W2O9" +mp-1045855,CaP4WO12,-7.8802350072,-2.548168081,0.1499023404,0.1499023404,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-W,36.0,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-W +mp-1046467,SrCaP2WO8,-7.9269990196,-2.7690499222,0.1959410906,0.1959410906,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sr-W,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sr-W, expected SrCaP2WO14 to be SrCaP2WO8" +mp-1047875,CaP3W3O13,-8.4979488322,-2.4266062654,0.1084429446,0.1084429446,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Ca-O-P-W,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Ca-O-P-W, expected CaP3W5O34 to be CaP3W3O13" +mp-1046472,SrP2WO8,-8.1112005229,-2.6905556574,0.1056596736,0.1056596736,GGA+U,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-W,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sr-W, expected SrP2WO14 to be SrP2WO8" +mp-1374356,SrP2WO8,-5.6233947646,-0.202749899,2.5934654319,2.5934654319,GGA+U,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-W,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_14i_2i_i_i:O-P-Sr-W, expected SrP2WO14 to be SrP2WO8" +mp-1042052,CaP2WO7,-8.0505925018,-2.5581237653,0.1971968692,0.1971968692,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-W,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Ca-O-P-W, expected CaP2WO8 to be CaP2WO7" +mp-1047183,CaP2WO7,-8.0374069459,-2.5449382094,0.2103824251,0.2103824251,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-W,22.0,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-W +mp-1048126,CaP4W3O14,-8.1813406232,-2.191029598,0.3346512814,0.3346512814,GGA+U,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-W,44.0,AB14C4D3_mP44_14_a_7e_2e_de:Ca-O-P-W +mp-1044163,CaP2(WO5)2,-8.459786998,-2.5787635003,0.0571777424,0.0571777424,GGA+U,Fddd,AB10C2D2_oF120_70_a_e2h_e_d:Ca-O-P-W,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_70_a_2e8h_e_d:Ca-O-P-W, expected CaP2(WO18)2 to be CaP2(WO5)2" +mp-780229,Na6Bi2B4PO16,-6.6873121269,-2.3116562996,0.0461632786,0.0461632786,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Bi-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:B-Bi-Na-O-P, expected Na6Bi2B4PO20 to be Na6Bi2B4PO16" +mp-768582,Na3BiBPO7,-6.6166038565,-2.4221746053,0.0205220832,0.0205220832,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Bi-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Bi-Na-O-P, expected Na4BiBPO13 to be Na3BiBPO7" +mp-557836,Na5B2P3O13,-7.058526448,-2.6881668491,0.0,-0.0036241356,GGA,P2_1,A2B5C13D3_mP46_4_2a_5a_13a_3a:B-Na-O-P,46.0,"Invalid WP multiplicities - A2B5C13D3_mP46_4_4a_9a_24a_5a:B-Na-O-P, expected Na9B4P5O24 to be Na5B2P3O13" +mp-559783,Na3B(PO4)2,-7.0437506007,-2.6832447182,0.0,-0.0033673285,GGA,C2/c,AB3C8D2_mC112_15_f_2e2f_8f_2f:B-Na-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mC112_15_f_4e7f_28f_6f:B-Na-O-P, expected Na9B(P3O14)2 to be Na3B(PO4)2" +mp-771773,Na2BiBPO7,-6.7546181779,-2.3208635968,0.0755174084,0.0755174084,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Bi-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Bi-Na-O-P, expected Na2BiBPO13 to be Na2BiBPO7" +mp-556801,Na3B6PO13,-7.7209773917,-2.7747085979,0.0,-0.0078140498,GGA,Pnma,A6B3C13D_oP92_62_3d_cd_3c5d_c:B-Na-O-P,92.0,"Invalid WP multiplicities - A6B3C13D_oP92_62_20d_3c3d_12c37d_c:B-Na-O-P, expected Na9B40PO86 to be Na3B6PO13" +mp-566670,K3Fe5(PO4)6,-7.6177118737,-2.4366159,0.0,-0.0075642774,GGA+U,C2/c,A5B3C24D6_mC152_15_c2ef_ef_12f_2e2f:Fe-K-O-P,76.0,"Invalid WP multiplicities - A5B3C24D6_mC152_15_2a4e3f_2e2f_41f_3e6f:Fe-K-O-P, expected K6Fe12P15O82 to be K3Fe5(PO4)6" +mp-561402,KFe2(PO4)2,-7.6733486735,-2.4079212834,0.0022881715,0.0022881715,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Fe-K-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_29e_4e:Fe-K-O-P, expected KFe6P4O29 to be KFe2(PO4)2" +mp-1202220,KFe4(PO4)3,-7.8723854155,-2.3428526234,0.0054850006,0.0054850006,GGA+U,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Fe-K-O-P,80.0,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Fe-K-O-P +mp-581237,K3Fe2(PO4)3,-7.2808213528,-2.4872507869,0.0,-0.0237998335,GGA+U,C2/c,A2B3C12D3_mC160_15_2f_ce2f_12f_3f:Fe-K-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_15_4f_2c2e7f_47f_7f:Fe-K-O-P, expected K9Fe4P7O47 to be K3Fe2(PO4)3" +mp-726116,K4NbFe3(PO4)6,-7.4768618387,-2.4465116132,0.1386851704,0.1386851704,GGA+U,P2_1,A3B4CD24E6_mP76_4_3a_4a_a_24a_6a:Fe-K-Nb-O-P,76.0,"Invalid WP multiplicities - A3B4CD24E6_mP76_4_4a_6a_a_46a_10a:Fe-K-Nb-O-P, expected K6NbFe4(P5O23)2 to be K4NbFe3(PO4)6" +mp-863293,KFe3(PO6)2,-7.1852255883,-1.8125960258,0.2183290018,0.2183290018,GGA+U,Pmc2_1,A3BC12D2_oP36_26_ac_b_4a2b3c_ab:Fe-K-O-P,36.0,A3BC12D2_oP36_26_ac_b_4a2b3c_ab:Fe-K-O-P +mp-1191511,K2FeP2O7,-7.1556796604,-2.4769925691,0.0697371665,0.0697371665,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Fe-K-O-P,48.0,AB2C7D2_tP24_113_a_e_cef_e:Fe-K-O-P +mp-561267,KFePO4,-7.4122764854,-2.4436368413,0.0,-0.0441445818,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Fe-K-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_5e_4e_28e_6e:Fe-K-O-P, expected K4Fe5(P3O14)2 to be KFePO4" +mp-746071,KFePO4,-7.3320332704,-2.3633936263,0.080243215,0.0360986332,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Fe-K-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_4c2d_c:Fe-K-O-P, expected KFePO8 to be KFePO4" +mp-1181064,KFe2P2O11,-6.8911991817,-1.685535294,0.3324030607,0.3324030607,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-K-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-K-O-P +mp-1196130,KFe2P2O11,-6.9685501503000005,-1.7628862626,0.2550520921,0.2550520921,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-K-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-K-O-P +mp-1201434,K2FeP4O15,-6.8093038449000005,-1.9663783995,0.3184051999,0.3184051999,GGA+U,Pca2_1,AB2C15D4_oP88_29_a_2a_15a_4a:Fe-K-O-P,88.0,AB2C15D4_oP88_29_a_2a_15a_4a:Fe-K-O-P +mp-541673,KFeP2O7,-7.5414008018,-2.5383238792,0.0,-0.0352887292,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Fe-K-O-P +mp-1200063,K4Fe4(PO4)5,-7.4186477805,-2.4391942233,0.0193695074,0.0193695074,GGA+U,P-42_1c,A4B4C20D5_tP66_114_e_e_5e_ae:Fe-K-O-P,66.0,A4B4C20D5_tP66_114_e_e_5e_ae:Fe-K-O-P +mp-1212103,K2Fe2(PO4)3,-7.2500577958,-2.2626360922,0.1570667472,0.1570667472,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Fe-K-O-P,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Fe-K-O-P +mp-1177825,Li2V3WO8,-8.3812555638,-2.4097410021,0.0155707313,0.0155707313,GGA+U,P1,A2B8C3D_aP56_1_8a_32a_12a_4a:Li-O-V-W,56.0,A2B8C3D_aP56_1_8a_32a_12a_4a:Li-O-V-W +mp-1306034,Li2V3WO8,-8.3945920871,-2.4230775255,0.0022342079,0.0022342079,GGA+U,C2/m,A2B8C3D_mC28_12_i_2ij_ae_c:Li-O-V-W,14.0,"Invalid WP multiplicities - A2B8C3D_mC28_12_i_3i2j_ce_a:Li-O-V-W, expected Li2V3WO14 to be Li2V3WO8" +mp-1309047,Li2V3WO8,-8.3965146454,-2.4250000837,0.0003116496,0.0003116496,GGA+U,C2/c,A2B8C3D_mC56_15_f_4f_abe_c:Li-O-V-W,28.0,"Invalid WP multiplicities - A2B8C3D_mC56_15_f_9f_cd2e_a:Li-O-V-W, expected Li2V4WO18 to be Li2V3WO8" +mp-771159,Li2V3WO8,-8.3962412121,-2.4247266505,0.0005850829,0.0005850829,GGA+U,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Li-O-V-W,28.0,"Invalid WP multiplicities - A2B8C3D_mC28_12_i_3ij_2c2e_a:Li-O-V-W, expected Li2V6WO10 to be Li2V3WO8" +mp-775204,Li2V3WO8,-8.3940688779,-2.4225543162,0.0027574171,0.0027574171,GGA+U,P6_3mc,A2B8C3D_hP28_186_ab_ab2c_c_b:Li-O-V-W,28.0,"Invalid WP multiplicities - A2B8C3D_hP28_186_a2b_a2b9c_c_b:Li-O-V-W, expected Li3V3WO30 to be Li2V3WO8" +mp-773423,Li2V3WO8,-8.3956428241,-2.4241282624,0.0011834709,0.0011834709,GGA+U,P4_332,A2B8C3D_cP56_212_c_ce_d_a:Li-O-V-W,56.0,"Invalid WP multiplicities - A2B8C3D_cP56_212_c_8c9e_d_a:Li-O-V-W, expected Li2V3WO70 to be Li2V3WO8" +mp-771515,Li6V3W3O16,-7.9218230371,-2.3244421271,0.0647623868,0.0647623868,GGA+U,P1,A6B16C3D3_aP28_1_6a_16a_3a_3a:Li-O-V-W,28.0,A6B16C3D3_aP28_1_6a_16a_3a_3a:Li-O-V-W +mp-771087,Li6V3W3O16,-7.8730358039,-2.2756548939,0.11354962,0.11354962,GGA+U,Cm,A6B16C3D3_mC56_8_6a_8a4b_ab_ab:Li-O-V-W,28.0,"Invalid WP multiplicities - A6B16C3D3_mC56_8_6a_8a6b_ab_ab:Li-O-V-W, expected Li6V3W3O20 to be Li6V3W3O16" +mp-754143,LiVWO6,-8.2228516956,-2.2638415362,0.0591638187,0.0591638187,GGA+U,P-1,AB6CD_aP18_2_bd_6i_i_i:Li-O-V-W,18.0,"Invalid WP multiplicities - AB6CD_aP18_2_bd_11i_i_i:Li-O-V-W, expected LiVWO11 to be LiVWO6" +mp-1222435,LiVWO6,-8.2136184922,-2.2546083329,0.0683970221,0.0683970221,GGA+U,Cm,AB6CD_mC18_8_a_6a_a_a:Li-O-V-W,9.0,AB6CD_mC18_8_a_6a_a_a:Li-O-V-W +mp-777624,Li9V3(WO4)7,-8.0681740545,-2.2459140644,0.0934244552,0.0934244552,GGA+U,R3m,A9B28C3D7_hR141_160_bc_a5b2c_b_a2b:Li-O-V-W,47.0,"Invalid WP multiplicities - A9B28C3D7_hR141_160_2b2c_a10b6c_b_a3b:Li-O-V-W, expected Li18V3W10O67 to be Li9V3(WO4)7" +mp-1177220,Li4V3Cu3(WO8)2,-7.4862847646,-2.0488451387,0.0677598811,0.0677598811,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Cu-Li-O-V-W,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Cu-Li-O-V-W +mp-1210933,LiV(WO4)2,-8.6965713608,-2.3230214369,0.0041833707,0.0041833707,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:Li-O-V-W,24.0,AB8CD2_mC48_15_e_4f_e_f:Li-O-V-W +mp-562901,CsVP2O7,-7.7720782186,-2.7327387246,0.0,-0.0418384843,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Cs-O-P-V, expected CsVP7O23 to be CsVP2O7" +mp-1197526,CsV(PO3)4,-7.6943589749,-2.6392043636,0.0213876374,0.0213876374,GGA+U,Pa-3,AB12C4D_cP216_205_ac_6d_2d_bc:Cs-O-P-V,216.0,AB12C4D_cP216_205_ac_6d_2d_bc:Cs-O-P-V +mp-504996,CsV2P5O16,-7.9247939269,-2.7049294925,0.0,-0.0148333428,GGA+U,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Cs-O-P-V,48.0,AB16C5D2_mP48_7_a_16a_5a_2a:Cs-O-P-V +mp-1196205,CsV2(PO6)2,-7.3807088846,-2.1307039398,0.1667244828,0.1667244828,GGA+U,P2_1/c,AB12C2D2_mP68_14_e_12e_2e_2e:Cs-O-P-V,68.0,AB12C2D2_mP68_14_e_12e_2e_2e:Cs-O-P-V +mp-1225904,CsVZn(PO3)6,-7.5347933483,-2.6177835745,0.0,-0.0142501789,GGA+U,P1,AB18C6DE_aP27_1_a_18a_6a_a_a:Cs-O-P-V-Zn,54.0,AB18C6DE_aP27_1_a_18a_6a_a_a:Cs-O-P-V-Zn +mp-743810,CsVZn(PO3)6,-6.5133992354,-1.5963894615,1.021394113,1.0071439341,GGA+U,C2/m,AB18C6DE_mC108_12_i_2i8j_3j_g_h:Cs-O-P-V-Zn,54.0,"Invalid WP multiplicities - AB18C6DE_mC108_12_i_4i15j_5j_g_h:Cs-O-P-V-Zn, expected CsVZn(P5O17)2 to be CsVZn(PO3)6" +mp-541679,Cs2V(PO4)2,-7.3900274425,-2.6765793258,0.0,-0.0124484929,GGA+U,Pnma,A2B8C2D_oP52_62_2c_2c3d_d_c:Cs-O-P-V,52.0,A2B8C2D_oP52_62_2c_2c3d_d_c:Cs-O-P-V +mp-1198694,CsVPO5,-7.6714101172,-2.6556533041,0.0,-0.0132802157,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Cs-O-P-V,32.0,AB5CD_oP32_19_a_5a_a_a:Cs-O-P-V +mp-1203962,CsV2P3O14,-7.5667538449,-2.3389156454,0.0811870468,0.0811870468,GGA+U,P2_1/c,AB14C3D2_mP80_14_e_14e_3e_2e:Cs-O-P-V,80.0,AB14C3D2_mP80_14_e_14e_3e_2e:Cs-O-P-V +mp-1193594,Mn2P12W,-6.7444933263,-0.3283739334,0.0,-0.0118680037,GGA,C2/c,A2B12C_mC60_15_f_6f_e:Mn-P-W,30.0,A2B12C_mC60_15_f_6f_e:Mn-P-W +mp-754986,MnP2WO8,-8.4962595858,-2.452904567,0.0468999904,0.0468999904,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-W,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Mn-O-P-W +mp-771764,Mn5P6WO24,-8.2873078222,-2.4548480778,0.044504257,0.044504257,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Mn-O-P-W,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Mn-O-P-W, expected Mn5P6WO60 to be Mn5P6WO24" +mp-776341,MnP6(WO8)3,-8.3483077753,-2.4884033608,0.0,-0.0018575926,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Mn-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Mn-O-P-W, expected MnP6(WO20)3 to be MnP6(WO8)3" +mp-767961,Ti3Mn2P6WO24,-8.5272143853,-2.8002982471,0.0288406455,0.0288406455,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Mn-O-P-Ti-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Mn-O-P-Ti-W, expected Ti3Mn2P6WO60 to be Ti3Mn2P6WO24" +mp-780613,Mn7P12WO48,-7.8471357453,-2.2663574292,0.0473064998,0.0473064998,GGA+U,P1,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-W,68.0,A7B48C12D_aP68_1_7a_48a_12a_a:Mn-O-P-W +mp-1176455,Mn3P6WO24,-7.9826107438,-2.3460072081,0.0161405432,0.0161405432,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Mn-O-P-W,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Mn-O-P-W, expected Mn3P6WO60 to be Mn3P6WO24" +mp-1203689,RbAlV(PO5)2,-7.5198227002,-2.5795888269,0.1121811562,0.1121811562,GGA+U,P2_1/c,AB10C2DE_mP60_14_e_10e_2e_e_e:Al-O-P-Rb-V,60.0,AB10C2DE_mP60_14_e_10e_2e_e_e:Al-O-P-Rb-V +mp-776006,VCo(PO4)2,-7.96226751,-2.4129059626,0.0425659777,0.0425659777,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Co-O-P-V, expected VCo(PO5)3 to be VCo(PO4)2" +mp-1101319,VCo(PO4)2,-7.8914211925,-2.3420596451,0.1134122952,0.1134122952,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Co-O-P-V,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Co-O-P-V, expected VCo(PO10)2 to be VCo(PO4)2" +mp-771692,V2Co(PO4)3,-7.9787140647,-2.3744750653,0.163141131,0.163141131,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Co-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Co-O-P-V, expected V2Co(PO26)3 to be V2Co(PO4)3" +mp-757057,VCo3(PO4)4,-7.5881625842,-2.1211172149,0.1655248622,0.1655248622,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-V,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-V +mp-766563,Mn2V3Co(PO4)6,-8.1865806581,-2.5231248053,0.0289386399,0.0289386399,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Mn-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Co-Mn-O-P-V, expected Mn2V3Co(PO10)6 to be Mn2V3Co(PO4)6" +mp-774635,V3Co(PO4)4,-8.1712363617,-2.5395586362,0.039129688,0.039129688,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Co-O-P-V,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Co-O-P-V +mp-1101240,V3Co(PO4)6,-7.8690021391,-2.4113439004,0.0207093202,0.0207093202,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Co-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Co-O-P-V, expected V3Co(PO10)6 to be V3Co(PO4)6" +mp-1176460,MnV3Co2(PO4)6,-8.0333738608,-2.4269651608,0.076802532,0.076802532,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Co-Mn-O-P-V, expected MnV3Co2(PO10)6 to be MnV3Co2(PO4)6" +mp-790064,V5Co(PO4)6,-8.217653565300001,-2.5585371138,0.0612233384,0.0612233384,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Co-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Co-O-P-V, expected V5Co(PO10)6 to be V5Co(PO4)6" +mp-1101982,VCoP,-8.0374777775,-0.8356356536,0.0,-0.1729741891,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-V,12.0,ABC_oP12_62_c_c_c:Co-P-V +mp-548753,V2Co(PO5)2,-8.177241394,-2.4725999233,0.0061868897,-0.0180590861,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Co-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_19e_e_e:Co-O-P-V, expected V2Co(PO19)2 to be V2Co(PO5)2" +mp-18729,V2Co(PO5)2,-8.1834282837,-2.4787868129,0.0,-0.0242459758,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Co-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_19e_e_e:Co-O-P-V, expected V2Co(PO19)2 to be V2Co(PO5)2" +mp-1202981,FeC7(O2F)2,-7.5494873393,-0.6437450223,0.6704360091,0.6704360091,GGA+U,P2_1/c,A7B2CD4_mP112_14_14e_4e_2e_8e:C-F-Fe-O,112.0,A7B2CD4_mP112_14_14e_4e_2e_8e:C-F-Fe-O +mp-766495,LiFeCO3F2,-6.9671536422,-2.1833244374,0.0802272419,0.0802272419,GGA+U,Pnma,AB2CDE3_oP32_62_c_d_c_c_3c:C-F-Fe-Li-O,32.0,"Invalid WP multiplicities - AB2CDE3_oP32_62_c_d_c_c_7c:C-F-Fe-Li-O, expected LiFeCO7F2 to be LiFeCO3F2" +mp-629080,Fe2C9O7F4,-7.2639665255,-0.7971134027000001,0.7547753693,0.7547753693,GGA+U,Pnma,A9B4C2D7_oP88_62_3c3d_2d_2c_3c2d:C-F-Fe-O,88.0,"Invalid WP multiplicities - A9B4C2D7_oP88_62_12c21d_9d_3c_12c9d:C-F-Fe-O, expected FeC18(O5F3)2 to be Fe2C9O7F4" +mp-704688,Fe2C9(O4F)2,-7.5488991017,-0.7205896027,0.7083101892,0.7083101892,GGA+U,P2_1/m,A9B2C2D8_mP42_11_3e3f_f_2e_2e3f:C-F-Fe-O,42.0,"Invalid WP multiplicities - A9B2C2D8_mP42_11_6e11f_f_4e_4e12f:C-F-Fe-O, expected Fe2C14O14F to be Fe2C9(O4F)2" +mp-1245569,KPbN,-4.15333147,0.2331821773,0.5283154908000001,0.5283154908000001,GGA,Cm,ABC_mC6_8_a_a_a:K-N-Pb,3.0,ABC_mC6_8_a_a_a:K-N-Pb +mp-1246354,KPbN,-4.26654642,0.1199672273,0.4151005408,0.4151005408,GGA,Pnma,ABC_oP12_62_c_c_c:K-N-Pb,12.0,ABC_oP12_62_c_c_c:K-N-Pb +mp-1245571,KPbN,-4.3314300467,0.0550836007,0.3502169142,0.3502169142,GGA,P3m1,ABC_hP3_156_a_b_c:K-N-Pb,3.0,ABC_hP3_156_a_b_c:K-N-Pb +mp-22139,K2NiPb(NO2)6,-6.5284640332,-1.0242451364,0.1130706533,0.1130706533,GGA+U,Fm-3,A2B6CD12E_cF88_202_c_e_a_h_b:K-N-Ni-O-Pb,22.0,A2B6CD12E_cF88_202_c_e_a_h_b:K-N-Ni-O-Pb +mp-20720,NiPb2(NO2)6,-4.879324111,0.9580408845,1.9282977163,1.9282977163,GGA+U,Fm-3m,A6BC12D2_cF84_225_e_a_h_c:N-Ni-O-Pb,21.0,A6BC12D2_cF84_225_e_a_h_c:N-Ni-O-Pb +mp-1202018,CsH4NO,-4.85845447,-0.894241586,0.0,-0.0128045064,GGA,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Cs-H-N-O,56.0,AB4CD_mP56_14_2e_8e_2e_2e:Cs-H-N-O +mp-1204285,CsH6Rh(N3O4)2,-6.1810849541,-0.8079692381,0.2051599429,0.2051599429,GGA,P2_1/c,AB6C6D8E_mP88_14_e_6e_6e_8e_e:Cs-H-N-O-Rh,88.0,AB6C6D8E_mP88_14_e_6e_6e_8e_e:Cs-H-N-O-Rh +mp-1195264,CsH6Rh(N3O4)2,-6.1851955045,-0.8120797885000001,0.2010493925,0.2010493925,GGA,P2_12_12_1,AB6C6D8E_oP88_19_a_6a_6a_8a_a:Cs-H-N-O-Rh,88.0,AB6C6D8E_oP88_19_a_6a_6a_8a_a:Cs-H-N-O-Rh +mp-1196678,InAgP2(HO4)2,-6.5413656677,-2.0578080586,0.0052525836,0.0052525836,GGA,P2_1/c,AB2CD8E2_mP56_14_e_2e_e_8e_2e:Ag-H-In-O-P,56.0,AB2CD8E2_mP56_14_e_2e_e_8e_2e:Ag-H-In-O-P +mp-707138,Ag2PHO4,-5.8594863592,-1.5772494338,0.0,-0.007528395,GGA,P3_112,A2BC4D_hP24_151_2a_b_2c_a:Ag-H-O-P,24.0,A2BC4D_hP24_151_2a_b_2c_a:Ag-H-O-P +mp-1204248,InAgP2O7,-6.9158502414,-2.2760624481,0.0,-0.0290150502,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ag-In-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ag-In-O-P +mp-555746,InAg3(PO4)2,-6.2621009093,-1.8585675919,0.0097622093,0.0097622093,GGA,C2/m,A3BC8D2_mC28_12_ai_c_2ij_i:Ag-In-O-P,14.0,"Invalid WP multiplicities - A3BC8D2_mC28_12_ai_d_4i2j_i:Ag-In-O-P, expected InAg3(PO8)2 to be InAg3(PO4)2" +mp-1195759,Ag2P2H2O7,-6.2731189796,-1.8189658959,0.0,-0.0005783678,GGA,Fddd,A2B2C7D2_oF208_70_h_ef_e3h_h:Ag-H-O-P,52.0,A2B2C7D2_oF208_70_h_ef_e3h_h:Ag-H-O-P +mp-559520,In2Ag3(PO4)3,-6.5248732517,-2.0448128755,0.0051877112,0.0051877112,GGA,C2/c,A3B2C12D3_mC80_15_a2e_f_6f_ef:Ag-In-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_a4e_f_21f_2ef:Ag-In-O-P, expected In2Ag5(P2O21)2 to be In2Ag3(PO4)3" +mp-1214993,Ag3P3HO9,-6.3111138938,-1.7704576452,0.124644496,0.124644496,GGA,C2/m,A3BC9D3_mC64_12_gj_i_3i3j_ij:Ag-H-O-P,32.0,A3BC9D3_mC64_12_gj_i_3i3j_ij:Ag-H-O-P +mp-696467,UH2Se2O9,-6.7060737282,-1.7354391956000002,0.1208765765,0.1208765765,GGA,C2/c,A2B9C2D_mC56_15_f_e4f_f_e:H-O-Se-U,28.0,A2B9C2D_mC56_15_f_e4f_f_e:H-O-Se-U +mp-1208419,UH5Se2O9,-6.0233241515,-1.3311440578,0.455751095,0.455751095,GGA,P2_1/c,A5B9C2D_mP68_14_5e_9e_2e_e:H-O-Se-U,68.0,A5B9C2D_mP68_14_5e_9e_2e_e:H-O-Se-U +mp-1208989,UH5(SeO5)2,-5.7747808881000005,-1.0684614268,0.6838382452,0.6838382452,GGA,Pnma,A5B10C2D_oP72_62_3cd_2c4d_d_c:H-O-Se-U,72.0,A5B10C2D_oP72_62_3cd_2c4d_d_c:H-O-Se-U +mp-1209052,UH14(SeO5)2,-5.1305554707,-0.8621004816000001,0.6703316875,0.6703316875,GGA,P2_1/c,A14B10C2D_mP108_14_14e_10e_2e_e:H-O-Se-U,108.0,A14B10C2D_mP108_14_14e_10e_2e_e:H-O-Se-U +mp-1198473,Na3U2H5(Se2O9)2,-6.5816374908,-2.0023228396,0.0011954762,0.0011954762,GGA,P-1,A5B3C18D4E2_aP64_2_5i_3i_18i_4i_2i:H-Na-O-Se-U,64.0,A5B3C18D4E2_aP64_2_5i_3i_18i_4i_2i:H-Na-O-Se-U +mp-1198290,NaUH9(SeO6)2,-6.0571796203,-1.6771573323,0.030622757,0.030622757,GGA,P2_1/c,A9BC12D2E_mP100_14_9e_e_12e_2e_e:H-Na-O-Se-U,100.0,A9BC12D2E_mP100_14_9e_e_12e_2e_e:H-Na-O-Se-U +mp-1204952,UH10(SeO7)2,-6.0502458199,-1.5515741394,0.001957428,0.001957428,GGA,P2_1/c,A10B14C2D_mP108_14_10e_14e_2e_e:H-O-Se-U,108.0,A10B14C2D_mP108_14_10e_14e_2e_e:H-O-Se-U +mp-1201947,UH4(SeO5)2,-6.4982670232,-1.714677361,0.0421248164,0.0421248164,GGA,P2_1/c,A4B10C2D_mP68_14_4e_10e_2e_e:H-O-Se-U,68.0,A4B10C2D_mP68_14_4e_10e_2e_e:H-O-Se-U +mp-707854,CsH24Ru(SO10)2,-5.5510595809000005,-1.4093532486,0.0216916006,0.0216916006,GGA,Pa-3,AB24C20DE2_cP192_205_a_4d_c3d_b_c:Cs-H-O-Ru-S,192.0,AB24C20DE2_cP192_205_a_4d_c3d_b_c:Cs-H-O-Ru-S +mp-556083,As2H3CF9,-4.8897644168,-1.8278716738,0.1834734117,0.1834734117,GGA,P2_1/c,A2BC9D3_mP60_14_2e_e_9e_3e:As-C-F-H,60.0,"Invalid WP multiplicities - A2BC9D3_mP60_14_3e_e_32e_8e:As-C-F-H, expected As3H8CF32 to be As2H3CF9" +mp-1200260,SbAsH6(CF4)2,-5.0067887956,-1.51269776,0.0891396014,0.0891396014,GGA,Ibca,AB2C8D6E_oI144_73_c_f_4f_3f_d:As-C-F-H-Sb,72.0,AB2C8D6E_oI144_73_c_f_4f_3f_d:As-C-F-H-Sb +mp-729188,Sb2H10(CF2)3,-4.90053832,-1.0271986432,0.1480677472,0.1480677472,GGA,P2_1/c,A3B6C10D2_mP168_14_6e_12e_20e_4e:C-F-H-Sb,168.0,A3B6C10D2_mP168_14_6e_12e_20e_4e:C-F-H-Sb +mp-1229058,Cs2TeP2H8O13,-5.9726518869,-1.849210454,0.0018135353,0.0018135353,GGA,Cc,A2B8C13D2E_mC208_9_4a_16a_26a_4a_2a:Cs-H-O-P-Te,104.0,"Invalid WP multiplicities - A2B8C13D2E_mC208_9_6a_23a_39a_6a_3a:Cs-H-O-P-Te, expected Cs6Te3P6H23O39 to be Cs2TeP2H8O13" +mp-756804,TePHO5,-6.4833497769,-1.8980025267,0.0686124577,0.0686124577,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Te,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Te, expected TePHO9 to be TePHO5" +mp-852960,TePHO5,-1.4227721131,3.162575137,5.1291901215,5.1291901215,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Te,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Te, expected TePHO9 to be TePHO5" +mp-1401477,TePHO5,-3.9747568519,0.6105903983000001,2.5772053827,2.5772053827,GGA,P-1,AB5CD_aP16_2_i_5i_i_bd:H-O-P-Te,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_bd:H-O-P-Te, expected TePHO9 to be TePHO5" +mp-755681,Te2P4H3O16,-6.6679597368,-1.9773589637,0.0746250162,0.0746250162,GGA,P1,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-Te,25.0,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-Te +mp-768153,Li2AsPCO7,-7.0170538921,-2.2049077991,0.0638565826,0.0638565826,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-Li-O-P, expected Li2AsPCO13 to be Li2AsPCO7" +mp-1203116,GaB2(PO6)2,-7.0937771453,-2.0012036681,0.3016616924,0.3016616924,GGA,C2/c,A2BC12D2_mC68_15_f_c_6f_f:B-Ga-O-P,34.0,A2BC12D2_mC68_15_f_a_6f_f:B-Ga-O-P +mp-39215,Zn3GaB6PO12,-7.2563513126,-2.4016885074,0.0,-0.0171201923,GGA,R3m,A6BC12DE3_hR69_160_c_a_2bc_a_b:B-Ga-O-P-Zn,23.0,"Invalid WP multiplicities - A6BC12DE3_hR69_160_c_a_6b4c_a_b:B-Ga-O-P-Zn, expected Zn3GaB6PO42 to be Zn3GaB6PO12" +mp-557343,Zn3BPO7,-6.5232551,-2.3150262595,0.0223928174,0.0223928174,GGA,Cm,AB7CD3_mC48_8_b_4a5b_2a_3b:B-O-P-Zn,24.0,"Invalid WP multiplicities - AB7CD3_mC48_8_b_4a10b_2a_4b:B-O-P-Zn, expected Zn4BPO12 to be Zn3BPO7" +mp-1178725,Zn3BPO7,-6.5283894636,-2.3201606231,0.0172584537,0.0172584537,GGA,P-6,AB7CD3_hP72_174_ghi_2j2k5l_jk_3l:B-O-P-Zn,72.0,AB7CD3_hP72_174_ghi_2j2k5l_jk_3l:B-O-P-Zn +mp-1193133,CeB4ClO8,-8.0240009393,-2.7330936115,0.1098509174,0.1098509174,GGA,Cc,A4BCD8_mC56_9_4a_a_a_8a:B-Ce-Cl-O,28.0,A4BCD8_mC56_9_4a_a_a_8a:B-Ce-Cl-O +mp-1182034,CeH14Cl3O7,-5.217214247,-1.4730668573,0.0369442845,0.0369442845,GGA,P1,AB3C14D7_aP50_1_2a_6a_28a_14a:Ce-Cl-H-O,50.0,AB3C14D7_aP50_1_2a_6a_28a_14a:Ce-Cl-H-O +mp-1204167,CeH14Cl3O7,-5.2405623646,-1.4964149749,0.0135961669,0.0135961669,GGA,P1,AB3C14D7_aP50_1_2a_6a_28a_14a:Ce-Cl-H-O,50.0,AB3C14D7_aP50_1_2a_6a_28a_14a:Ce-Cl-H-O +mp-505786,CeH14Cl3O7,-5.2431420278,-1.498994638,0.0110165037,0.0110165037,GGA,P-1,AB3C14D7_aP50_2_i_3i_14i_7i:Ce-Cl-H-O,50.0,AB3C14D7_aP50_2_i_3i_14i_7i:Ce-Cl-H-O +mp-680695,Ce3B2(ClO2)3,-7.9949704704,-3.2532709522,0.0,-0.0319376986,GGA,P6_3/m,A2B3C3D6_hP28_176_f_h_h_i:B-Ce-Cl-O,28.0,A2B3C3D6_hP28_176_f_h_h_i:B-Ce-Cl-O +mp-1203793,CeB4H2ClO8,-7.737457395,-2.6838227276,0.0,-0.013033506,GGA,Cc,A4BCD2E8_mC64_9_4a_a_a_2a_8a:B-Ce-Cl-H-O,32.0,A4BCD2E8_mC64_9_4a_a_a_2a_8a:B-Ce-Cl-H-O +mp-1202093,CeB8ClO20,-7.4891028214,-2.1507516812,0.1596767237,0.1596767237,GGA,P2_1/c,A8BCD20_mP120_14_8e_e_e_20e:B-Ce-Cl-O,120.0,A8BCD20_mP120_14_8e_e_e_20e:B-Ce-Cl-O +mp-556519,CeB2ClO4,-8.1782671025,-3.0623715773,0.0198330544,0.0198330544,GGA,P-1,A2BCD4_aP16_2_2i_i_i_4i:B-Ce-Cl-O,16.0,"Invalid WP multiplicities - A2BCD4_aP16_2_4i_i_i_7i:B-Ce-Cl-O, expected CeB4ClO7 to be CeB2ClO4" +mp-1199805,Ce2H8S3O16,-6.5403160514,-2.038096891,0.0,-0.0053717635,GGA,P2_1/c,A2B8C16D3_mP116_14_2e_8e_16e_3e:Ce-H-O-S,116.0,A2B8C16D3_mP116_14_2e_8e_16e_3e:Ce-H-O-S +mp-1196411,Ce2H16S3O20,-6.1436285989,-1.8145330171,0.0022830338,0.0022830338,GGA,Pc,A2B16C20D3_mP82_7_2a_16a_20a_3a:Ce-H-O-S,82.0,A2B16C20D3_mP82_7_2a_16a_20a_3a:Ce-H-O-S +mp-734299,Ce2H16S3O20,-5.8484030822,-1.5193075004,0.2975085505,0.2975085505,GGA,C2/c,A2B16C20D3_mC164_15_f_8f_10f_ef:Ce-H-O-S,82.0,A2B16C20D3_mC164_15_f_8f_10f_ef:Ce-H-O-S +mp-1182732,Ce2H16S3O20,-5.8757229585,-1.5466273767,0.2701886741,0.2701886741,GGA,C2/c,A2B16C20D3_mC164_15_f_8f_10f_ef:Ce-H-O-S,82.0,A2B16C20D3_mC164_15_f_8f_10f_ef:Ce-H-O-S +mp-510452,CeHSO5,-7.2591960175,-2.4847324396,0.0109225145,0.0109225145,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Ce-H-O-S,32.0,ABC5D_mP32_14_e_e_5e_e:Ce-H-O-S +mp-1227490,CeH3(SO4)3,-6.6291919829,-2.0038824342,0.0167971385,0.0167971385,GGA,P6_3,AB3C12D3_hP38_173_b_c_4c_c:Ce-H-O-S,38.0,"Invalid WP multiplicities - AB3C12D3_mP38_4_a_6a_24a_6a:Ce-H-O-S, expected CeH6(SO4)6 to be CeH3(SO4)3" +mp-1202113,CeH8(SO6)2,-6.2062306037,-1.8276192218,0.0035692161,0.0035692161,GGA,Pnma,AB8C12D2_oP92_62_c_4d_2c5d_d:Ce-H-O-S,92.0,AB8C12D2_oP92_62_c_4d_2c5d_d:Ce-H-O-S +mp-1196048,CeH8(SO6)2,-6.20687345,-1.8282620681,0.0029263698,0.0029263698,GGA,Fddd,AB8C12D2_oF184_70_a_2h_3h_e:Ce-H-O-S,46.0,AB8C12D2_oF184_70_a_2h_3h_e:Ce-H-O-S +mp-3535,RbCeS2,-5.826228075,-2.0295973347,0.0,-0.1389066787,GGA,R-3m,ABC2_hR12_166_a_b_c:Ce-Rb-S,4.0,ABC2_hR12_166_a_b_c:Ce-Rb-S +mp-504990,RbCeH2S2O9,-6.700618901,-2.2678073375,0.0,-0.0224674412,GGA,P2_1/c,AB2C9DE2_mP60_14_e_2e_9e_e_2e:Ce-H-O-Rb-S,60.0,AB2C9DE2_mP60_14_e_2e_9e_e_2e:Ce-H-O-Rb-S +mp-1097014,KSnBr3,-3.5093666545,-1.5535554961,0.0,-0.003478624,GGA,Pnma,A3BC_oP20_62_3c_c_c:Br-K-Sn,20.0,A3BC_oP20_62_3c_c_c:Br-K-Sn +mp-676501,K3Sn2S3BrO12,-6.0602702962,-2.0282234859,0.01079351,0.01079351,GGA,P2_1,AB3C12D3E2_mP42_4_a_3a_12a_3a_2a:Br-K-O-S-Sn,42.0,"Invalid WP multiplicities - AB3C12D3E2_mP42_4_a_5a_23a_5a_3a:Br-K-O-S-Sn, expected K5Sn3S5BrO23 to be K3Sn2S3BrO12" +mp-23541,KSn2Br5,-3.5317724506,-1.4199369122,0.0,-0.0020069816,GGA,I4/mcm,A5BC2_tI32_140_cl_a_h:Br-K-Sn,16.0,"Invalid WP multiplicities - A5BC2_tI32_140_c2l_a_h:Br-K-Sn, expected KSn2Br9 to be KSn2Br5" +mp-1193380,K4Sn(SO)4,-4.3846018054,-0.9397001165,0.8281820733,0.8281820733,GGA,P-1,A4B4C4D_aP26_2_4i_4i_4i_i:K-O-S-Sn,26.0,A4B4C4D_aP26_2_4i_4i_4i_i:K-O-S-Sn +mp-574040,K2SnBr6,-3.3324929794,-1.604877454,0.0,-0.0265069681,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Br-K-Sn,18.0,"Invalid WP multiplicities - A6B2C_mP18_14_10e_e_a:Br-K-Sn, expected K2SnBr20 to be K2SnBr6" +mp-707190,K2SnBr6,-3.3273522983,-1.5997367729,0.0051406811,-0.0213662869,GGA,P4/mnc,A6B2C_tP18_128_eh_d_a:Br-K-Sn,18.0,A6B2C_tP18_128_eh_d_a:Br-K-Sn +mp-568333,K2SnBr6,-3.3182763122,-1.5906607868,0.0142166672,-0.0122903008,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Sn,9.0,A6B2C_cF36_225_e_c_a:Br-K-Sn +mp-1204525,K2Sn(S2O7)3,-6.3977701233,-1.9001190604,0.0,-0.0190804936,GGA,P-3,A2B21C6D_hP60_147_2d_7g_2g_c:K-O-S-Sn,60.0,A2B21C6D_hP60_147_2d_7g_2g_c:K-O-S-Sn +mp-1224197,K3Sn2S3BrO3,-4.4381168146,-1.09205143,0.5992542557,0.5992542557,GGA,P2_1,AB3C3D3E2_mP24_4_a_3a_3a_3a_2a:Br-K-O-S-Sn,24.0,"Invalid WP multiplicities - AB3C3D3E2_mP24_4_a_5a_6a_6a_2a:Br-K-O-S-Sn, expected K5Sn2S6BrO6 to be K3Sn2S3BrO3" +mp-1198011,CdH6C2O7,-6.0331312237,-1.3854188491,0.0528357871,0.0528357871,GGA,P1,A2BC6D7_aP32_1_4a_2a_12a_14a:C-Cd-H-O,32.0,A2BC6D7_aP32_1_4a_2a_12a_14a:C-Cd-H-O +mp-1200906,CdH10(C2O3)4,-6.4833210658,-1.062684334,0.1847655368,0.1847655368,GGA,P-1,A8BC10D12_aP31_2_4i_b_ae4i_6i:C-Cd-H-O,31.0,A8BC10D12_aP31_2_4i_b_ae4i_6i:C-Cd-H-O +mp-24749,CdH6(CO3)2,-5.9056667512,-1.2778861323,0.0792177532,0.0792177532,GGA,P2_1/c,A2BC6D6_mP60_14_2e_ad_6e_6e:C-Cd-H-O,60.0,A2BC6D6_mP60_14_2e_ab_6e_6e:C-Cd-H-O +mp-1204115,Cd2H18C8O17,-6.0418622244,-1.1343537719,0.1448158846,0.1448158846,GGA,P2_1/c,A8B2C18D17_mP180_14_8e_2e_18e_17e:C-Cd-H-O,180.0,A8B2C18D17_mP180_14_8e_2e_18e_17e:C-Cd-H-O +mp-644265,CdH2(CO2)2,-6.3690653433,-1.2632400456,0.1438970833,0.1438970833,GGA,C2/c,A2BC2D4_mC72_15_2f_f_2f_4f:C-Cd-H-O,36.0,A2BC2D4_mC72_15_2f_f_2f_4f:C-Cd-H-O +mp-1195487,Na4Cd3H2(C2O7)2,-6.3176989070000005,-1.8357534822,0.0,-0.0140702068,GGA,P2_1/c,A4B3C2D4E14_mP54_14_2e_ae_e_2e_7e:C-Cd-H-Na-O,54.0,A4B3C2D4E14_mP54_14_2e_ae_e_2e_7e:C-Cd-H-Na-O +mp-1203674,CdH4(C2O3)2,-6.49463801,-1.0887321315,0.1889953431,0.1889953431,GGA,P2_1/c,A4BC4D6_mP60_14_4e_e_4e_6e:C-Cd-H-O,60.0,A4BC4D6_mP60_14_4e_e_4e_6e:C-Cd-H-O +mp-1182013,CdH4(C2O3)2,-6.5063826004,-1.1004767219,0.1772507526,0.1772507526,GGA,R-3,A4BC4D6_hR135_148_2f_d_2f_3f:C-Cd-H-O,45.0,A4BC4D6_hR135_148_2f_d_2f_3f:C-Cd-H-O +mp-557366,NaCdH3(CO2)3,-6.3683323264,-1.3833521883,0.1070534376,0.1070534376,GGA,Pcca,A3BC3DE6_oP56_54_cf_d_cf_e_3f:C-Cd-H-Na-O,56.0,"Invalid WP multiplicities - A3BC3DE6_oP56_54_3c4f_d_3c3f_e_18f:C-Cd-H-Na-O, expected NaCdH9C11O36 to be NaCdH3(CO2)3" +mp-15886,Na2US3,-6.014299565,-1.6233311987,0.0,-0.154944995,GGA,C2/m,A2B3C_mC24_12_adg_ij_h:Na-S-U,12.0,"Invalid WP multiplicities - A2B3C_mC24_12_acg_2i2j_h:Na-S-U, expected Na2US6 to be Na2US3" +mp-1214646,Ba2NaUO6,-7.6925907205,-3.0793889754,0.0,-0.0069941889,GGA,Pnnm,A2BC6D_oP20_58_g_a_gh_c:Ba-Na-O-U,20.0,A2BC6D_oP20_58_g_a_gh_c:Ba-Na-O-U +mp-1102325,Ba2Na2U(S2O)2,-6.3869068564,-2.367489823,0.0,-0.0785785067,GGA,P-1,A2B2C2D4E_aP11_2_i_i_i_2i_a:Ba-Na-O-S-U,11.0,A2B2C2D4E_aP11_2_i_i_i_2i_a:Ba-Na-O-S-U +mp-1201524,Na10US6O29,-6.2087828029,-2.0177103079,0.1410606145,0.1410606145,GGA,Cc,A10B29C6D_mC184_9_10a_29a_6a_a:Na-O-S-U,92.0,A10B29C6D_mC184_9_10a_29a_6a_a:Na-O-S-U +mp-867972,Na6U(SO5)4,-6.422023739,-2.0766645305,0.1279257381,0.1279257381,GGA,P-1,A6B20C4D_aP62_2_be5i_20i_4i_i:Na-O-S-U,62.0,A6B20C4D_aP62_2_be5i_20i_4i_i:Na-O-S-U +mp-4248,YCoC2,-8.344385965,-0.3363559917,0.0,-0.1050228631,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Y,4.0,A2BC_oC8_38_d_a_b:C-Co-Y +mp-1215913,YCoC,-7.85536941,-0.2542179431,0.0542262283,0.0357528858,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Y,3.0,ABC_tP3_123_a_b_c:C-Co-Y +mp-21422,YCoC,-7.9095956383,-0.3084441714,0.0,-0.0184733425,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Y,6.0,ABC_tP6_131_c_a_f:C-Co-Y +mp-1216137,Y2Co17C,-7.219667419,-0.0695169073,0.0312609309,0.0312609309,GGA,C2/m,AB17C2_mC40_12_a_deg2i2j_i:C-Co-Y,20.0,"Invalid WP multiplicities - AB17C2_mC40_12_a_df2g3i3j_i:C-Co-Y, expected Y2Co25C to be Y2Co17C" +mp-1216253,Y4Co16B3C,-7.2916523475,-0.2555769317,0.018092068,0.018092068,GGA,P-6m2,A3BC16D4_hP24_187_abc_d_gh2n_efi:B-C-Co-Y,24.0,"Invalid WP multiplicities - A3BC16D4_hP24_187_abc_d_gh12n_efi:B-C-Co-Y, expected Y4Co76B3C to be Y4Co16B3C" +mp-1216422,Y4Fe28BC,-8.2928419769,-0.0888850476,0.0,-0.0003897651,GGA,Cmmm,ABC28D4_oC136_65_g_j_efkl2n2o4r_ghij:B-C-Fe-Y,68.0,"Invalid WP multiplicities - ABC28D4_oC136_65_g_j_2e2f2k2l4n4o16r_ghij:B-C-Fe-Y, expected Y4Fe88BC to be Y4Fe28BC" +mp-1216386,Y4Fe4Co12B3C,-7.5379762475,-0.2749502626,0.0105149782,0.0105149782,GGA,P-6m2,A3BC12D4E4_hP24_187_abc_d_2n_gh_efi:B-C-Co-Fe-Y,24.0,"Invalid WP multiplicities - A3BC12D4E4_hP24_187_abc_d_12n_gh_efi:B-C-Co-Fe-Y, expected Y4Fe4Co72B3C to be Y4Fe4Co12B3C" +mp-1101797,YFeCo3B,-7.4755196858,-0.3187134393,0.0,-0.0168447926,GGA,P6/mmm,AB3CD_hP12_191_c_i_d_ab:B-Co-Fe-Y,12.0,AB3CD_hP12_191_c_i_d_ab:B-Co-Fe-Y +mp-1025070,YCo2B2C,-7.6521181933,-0.4403589037,0.0273555554,0.0273555554,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Y,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Co-Y +mp-559618,NaB(CO2)4,-7.8706828686,-1.8356765311,0.0701801945,0.0701801945,GGA,Cmcm,AB4CD8_oC56_63_c_fg_c_2f2g:B-C-Na-O,28.0,"Invalid WP multiplicities - AB4CD8_oC56_63_c_2f2g_c_7f8g:B-C-Na-O, expected NaB(C4O15)2 to be NaB(CO2)4" +mp-1210602,Na5Sr2B10(CO13)2,-7.4877759606,-2.5131811037,0.0691728256,0.0691728256,GGA,C2/c,A10B2C5D26E2_mC180_15_5f_f_e2f_13f_f:B-C-Na-O-Sr,90.0,A10B2C5D26E2_mC180_15_5f_f_e2f_13f_f:B-C-Na-O-Sr +mp-1238775,NaBC,-5.7539578467,-0.0104303277,0.0313800429,0.0313800429,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Na,6.0,ABC_hP6_194_c_d_a:B-C-Na +mp-1178771,YCu(WO4)2,-8.7140761417,-2.3761221472000003,0.0334495936,0.0334495936,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Cu-O-W-Y,12.0,AB8C2D_aP12_1_a_8a_2a_a:Cu-O-W-Y +mp-504864,YCu(WO4)2,-8.7146270575,-2.3766730631,0.0328986778,0.0328986778,GGA+U,P-1,AB8C2D_aP12_2_b_4i_i_d:Cu-O-W-Y,12.0,"Invalid WP multiplicities - AB8C2D_aP12_2_b_8i_i_d:Cu-O-W-Y, expected YCu(WO8)2 to be YCu(WO4)2" +mp-17192,YCu(WO4)2,-8.7117321329,-2.3737781385,0.0357936023,0.0357936023,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Cu-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Cu-O-W-Y +mp-2228750,Y2Mg(CuO2)4,-6.6451173407,-1.9448800976,0.2893830079,0.2893830079,GGA,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Cu-Mg-O-Y,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Cu-Mg-O-Y +mp-1032744,YMg6CuO8,-6.5523003681,-2.8184961323,0.1530717759,0.1530717759,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cu-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cu-Mg-O-Y, expected YMg6CuO12 to be YMg6CuO8" +mp-1032771,YMg6CuO8,-6.50387207,-2.7700678342,0.201500074,0.201500074,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cu-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cu-Mg-O-Y, expected YMg6CuO12 to be YMg6CuO8" +mp-1814603,YCu3(WO4)6,-8.2018649559,-1.871470792,0.1670966609,0.1670966609,GGA+U,P-1,A3B24C6D_aP34_2_bi_12i_3i_e:Cu-O-W-Y,34.0,"Invalid WP multiplicities - A3B24C6D_aP34_2_b2i_24i_6i_e:Cu-O-W-Y, expected YCu5(WO4)12 to be YCu3(WO4)6" +mp-1355684,YCu3(WO4)6,-6.3393128456,-0.0089186817,2.0296487712,2.0296487712,GGA+U,P-1,A3B24C6D_aP34_2_bi_12i_3i_d:Cu-O-W-Y,34.0,"Invalid WP multiplicities - A3B24C6D_aP34_2_b2i_24i_6i_d:Cu-O-W-Y, expected YCu5(WO4)12 to be YCu3(WO4)6" +mp-1329989,YCu3(WO4)6,-8.2092760893,-1.8788819253,0.1596855276,0.1596855276,GGA+U,P2/c,A3B24C6D_mP68_13_eg_12g_3g_f:Cu-O-W-Y,68.0,"Invalid WP multiplicities - A3B24C6D_mP68_13_2e3g_43g_10g_f:Cu-O-W-Y, expected YCu8(W10O43)2 to be YCu3(WO4)6" +mp-1036005,YMg14CuO16,-6.4157168428,-2.9120725346,0.1007315692,0.1007315692,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cu-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cu-Mg-O-Y, expected YMg18CuO20 to be YMg14CuO16" +mp-1036013,YMg14CuO16,-6.4205067291,-2.9168624208,0.0959416829,0.0959416829,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cu-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cu-Mg-O-Y, expected YMg30CuO32 to be YMg14CuO16" +mp-2225369,Y2MgCuO4,-7.2154521387,-2.4130541648,0.8327580686,0.8327580686,GGA,Cm,ABC4D2_mC16_8_a_a_2b_2a:Cu-Mg-O-Y,8.0,"Invalid WP multiplicities - ABC4D2_mC16_8_a_a_4b_2a:Cu-Mg-O-Y, expected Y2MgCuO8 to be Y2MgCuO4" +mp-2223648,Y2MgCuO4,-7.14845181,-2.346053836,0.8997583973000001,0.8997583973000001,GGA,I4/mmm,ABC4D2_tI16_139_a_b_cd_e:Cu-Mg-O-Y,8.0,"Invalid WP multiplicities - ABC4D2_tI16_139_a_b_2c2d_e:Cu-Mg-O-Y, expected Y2MgCuO8 to be Y2MgCuO4" +mp-1362272,Y2Cu3(WO4)6,-8.4959561534,-2.1616740767,0.098041304,0.098041304,GGA+U,P-1,A3B24C6D2_aP35_2_ai_12i_3i_i:Cu-O-W-Y,35.0,"Invalid WP multiplicities - A3B24C6D2_aP35_2_ai_24i_5i_i:Cu-O-W-Y, expected Y2Cu3(W5O24)2 to be Y2Cu3(WO4)6" +mp-1330191,Y2Cu3(WO4)6,-8.5199403873,-2.1856583105,0.0740570701,0.0740570701,GGA+U,P2/c,A3B24C6D2_mP70_13_eg_12g_3g_g:Cu-O-W-Y,70.0,"Invalid WP multiplicities - A3B24C6D2_mP70_13_2e3g_43g_10g_g:Cu-O-W-Y, expected YCu4W10O43 to be Y2Cu3(WO4)6" +mp-2233403,YMgCu(WO4)2,-8.375806774600001,-2.4022892374,0.1563351237,0.1563351237,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Cu-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Cu-Mg-O-W-Y +mp-2233909,YMgCu(WO4)2,-8.4092271792,-2.4357096421,0.1229147191,0.1229147191,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Cu-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Cu-Mg-O-W-Y +mp-2233440,YMgCu(WO4)2,-8.2733425146,-2.2998249774,0.2587993837,0.2587993837,GGA+U,P-1,ABC8D2E_aP13_2_d_a_4i_i_b:Cu-Mg-O-W-Y,13.0,"Invalid WP multiplicities - ABC8D2E_aP13_2_d_a_8i_i_b:Cu-Mg-O-W-Y, expected YMgCu(WO8)2 to be YMgCu(WO4)2" +mp-1216257,Y8MgCu7O20,-7.7170680622,-2.6903938991,0.0526556821,0.0526556821,GGA,P1,A7BC20D8_aP36_1_7a_a_20a_8a:Cu-Mg-O-Y,36.0,A7BC20D8_aP36_1_7a_a_20a_8a:Cu-Mg-O-Y +mp-1037730,YMg30CuO32,-6.3736659358,-2.9851015914000003,0.0483206102,0.0483206102,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cu-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cu-Mg-O-Y, expected YMg90CuO80 to be YMg30CuO32" +mp-1037716,YMg30CuO32,-6.3756762717,-2.9871119273,0.0463102743,0.0463102743,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cu-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cu-Mg-O-Y, expected YMg110CuO72 to be YMg30CuO32" +mp-1045900,YCu3(WO3)4,-8.363726388,-1.8658825591,0.2091130651,0.2091130651,GGA+U,P-1,A3B12C4D_aP20_2_aef_6i_bcdh_g:Cu-O-W-Y,20.0,"Invalid WP multiplicities - A3B12C4D_aP20_2_aef_11i_bcdh_g:Cu-O-W-Y, expected YCu3(W2O11)2 to be YCu3(WO3)4" +mp-1245448,Mn2NbN3,-9.4610449192,-0.5552415193,0.1828673611,0.1828673611,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mn-N-Nb,12.0,A2B3C_oC24_36_b_ab_a:Mn-N-Nb +mp-1200027,NbC4N3O13,-6.4762547805,0.0157645067,1.6559434486,1.6559434486,GGA,P2/c,A4B3CD13_mP84_13_4g_3g_g_2e12g:C-N-Nb-O,84.0,A4B3CD13_mP84_13_4g_3g_g_2e12g:C-N-Nb-O +mp-1221412,Mn5Nb7N2,-9.9919658193,-0.4782371343,0.0251284513,0.0251284513,GGA,Imma,A5B2C7_oI56_74_ahi_bc_d2ej:Mn-N-Nb,28.0,"Invalid WP multiplicities - A5B2C7_oI56_74_a2h2i_bc_d4e2j:Mn-N-Nb, expected Mn9Nb13N2 to be Mn5Nb7N2" +mp-1196709,Mn2NbC8(NO)8,-7.3101584602,0.4128092677,1.5016601582,1.5016601582,GGA+U,I4/m,A8B2C8DE8_tI108_87_2i_h_2i_e_2hi:C-Mn-N-Nb-O,54.0,A8B2C8DE8_tI108_87_2i_h_2i_e_2hi:C-Mn-N-Nb-O +mp-685705,Mn17Nb31N48,-9.9149587489,-0.8623913259,0.1194051113,0.1194051113,GGA,P312,A17B48C31_hP96_149_aef2g2h3i_8l_bcdgh4l:Mn-N-Nb,96.0,"Invalid WP multiplicities - A17B48C31_hP96_149_aef4g3h6i_48l_bcdg2h24l:Mn-N-Nb, expected Mn29(Nb17N32)9 to be Mn17Nb31N48" +mp-616555,MnC4NO5,-7.8911512118,-0.6960043261000001,0.7023674023,0.7023674023,GGA+U,C2/c,A4BCD5_mC44_15_2f_e_e_e2f:C-Mn-N-O,22.0,"Invalid WP multiplicities - A4BCD5_mC44_15_4f_e_e_2e6f:C-Mn-N-O, expected MnC8NO14 to be MnC4NO5" +mp-1211527,KMn(PO3)3,-7.7177102536,-2.6439588135000003,0.0,-0.013580075,GGA+U,P-6c2,ABC9D3_hP28_188_a_c_kl_k:K-Mn-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:K-Mn-O-P +mp-5997,KMn6P7O24,-8.2037685853,-2.6065018138,0.0,-0.00944185,GGA+U,P2_1/m,AB6C24D7_mP76_11_e_3f_2e11f_e3f:K-Mn-O-P,76.0,"Invalid WP multiplicities - AB6C24D7_mP76_11_e_3f_3e12f_e3f:K-Mn-O-P, expected KMn6P7O27 to be KMn6P7O24" +mp-15734,KMn4(PO4)3,-8.2330522777,-2.5651206692,0.0021395644,3.95339e-05,GGA+U,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:K-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_58_g_2g2h_7g5h_5g:K-Mn-O-P, expected KMn6P5O17 to be KMn4(PO4)3" +mp-6130,KMn4(PO4)3,-8.2351918421,-2.5672602336,0.0,-0.0021000305,GGA+U,Pnma,AB4C12D3_oP80_62_c_2cd_6c3d_3c:K-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_62_c_2c2d_6c6d_5c:K-Mn-O-P, expected KMn6P5O18 to be KMn4(PO4)3" +mp-555605,KMnPO4,-7.6650374504,-2.5975415088,0.0,-0.0377580992,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:K-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:K-Mn-O-P, expected KMn2PO4 to be KMnPO4" +mp-554535,K2MnP2O7,-7.3745810121,-2.6382277472,0.0,-0.001720289,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:K-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_6e_e_25e_5e:K-Mn-O-P, expected K6Mn(PO5)5 to be K2MnP2O7" +mp-697304,K4Hf3Mn(PO4)6,-8.1265279593,-3.0034878993,0.0208089626,0.0208089626,GGA+U,P2_1,A3B4CD24E6_mP76_4_3a_4a_a_24a_6a:Hf-K-Mn-O-P,76.0,"Invalid WP multiplicities - A3B4CD24E6_mP76_4_4a_6a_a_46a_10a:Hf-K-Mn-O-P, expected K6Hf4Mn(P5O23)2 to be K4Hf3Mn(PO4)6" +mp-1212189,HfMnP,-9.1870207017,-1.0095184254,0.0,-0.1471089626,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Mn-P,12.0,ABC_oP12_62_c_c_c:Hf-Mn-P +mp-1105401,NaYMnWO6,-8.6394348585,-2.6805074389,0.0,-0.0274830466,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:Mn-Na-O-W-Y,20.0,ABC6DE_mP20_4_a_a_6a_a_a:Mn-Na-O-W-Y +mp-1047526,YMn(WO4)2,-9.2989095479,-2.539054835,0.0573914749,0.0573914749,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Mn-O-W-Y,24.0,AB8C2D_aP12_1_a_8a_2a_a:Mn-O-W-Y +mp-1042160,YMn(WO4)2,-9.3304960037,-2.5706412908000003,0.0258050191,0.0258050191,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Mn-O-W-Y,24.0,AB8C2D_aP24_2_i_8i_2i_i:Mn-O-W-Y +mp-1197974,CdC3NO6,-6.9701943577000005,-0.9133295005,0.612545026,0.612545026,GGA,Pna2_1,A3BCD6_oP44_33_3a_a_a_6a:C-Cd-N-O,44.0,A3BCD6_oP44_33_3a_a_a_6a:C-Cd-N-O +mp-725922,CdC2(NO)4,-7.5930528809,-1.0009660364,0.0420874178,0.0420874178,GGA,P2_12_12,A2BC4D4_oP22_18_c_a_2c_2c:C-Cd-N-O,22.0,A2BC4D4_oP22_18_c_a_2c_2c:C-Cd-N-O +mp-542869,CdFeC5N6O,-7.6275678304,0.2654247906,0.5357604835,0.5357604835,GGA+U,Pnma,A5BCD6E_oP56_62_c2d_c_c_2c2d_c:C-Cd-Fe-N-O,56.0,A5BCD6E_oP56_62_c2d_c_c_2c2d_c:C-Cd-Fe-N-O +mp-1020060,LiB(S2O7)2,-6.6286409007,-1.9092530976,0.0,-0.0047532948,GGA,P2_12_12_1,ABC14D4_oP160_19_2a_2a_28a_8a:B-Li-O-S,160.0,ABC14D4_oP160_19_2a_2a_28a_8a:B-Li-O-S +mp-1020106,LiB(SO4)2,-6.8247877804,-2.1218941086,0.0,-0.0288145324,GGA,Pc,ABC8D2_mP48_7_2a_2a_16a_4a:B-Li-O-S,48.0,ABC8D2_mP48_7_2a_2a_16a_4a:B-Li-O-S +mp-1020018,Li5B(SO4)4,-6.5206219021,-2.2161286347,0.0082010613,0.0082010613,GGA,P2_1/c,AB5C16D4_mP104_14_e_5e_16e_4e:B-Li-O-S,104.0,AB5C16D4_mP104_14_e_5e_16e_4e:B-Li-O-S +mp-769001,Li6Sn2B4SO16,-6.9114476326,-2.4468366933,0.0584367416,0.0584367416,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Li-O-S-Sn,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_2eg_a_d:B-Li-O-S-Sn, expected Li6Sn2B4SO20 to be Li6Sn2B4SO16" +mp-16990,Ba10P6SO24,-7.5181845717,-3.2614396113,0.0,-0.0130463388,GGA,P-3,A10B24C6D_hP41_147_2dg_4g_g_a:Ba-O-P-S,41.0,"Invalid WP multiplicities - A10B24C6D_hP41_147_2dg_9g_g_a:Ba-O-P-S, expected Ba10P6SO54 to be Ba10P6SO24" +mp-542136,Na3PSO3,-5.7486702575,-2.203995959,0.0,-0.0146468301,GGA,R3c,A3B3CD_hR48_161_b_b_a_a:Na-O-P-S,16.0,A3B3CD_hR48_161_b_b_a_a:Na-O-P-S +mp-1180556,Na2P2S2O7,-5.6895612687,-1.3533015523,0.8545465708000001,0.8545465708000001,GGA,P-1,A2B7C2D2_aP52_2_4i_14i_4i_4i:Na-O-P-S,52.0,A2B7C2D2_aP52_2_4i_14i_4i_4i:Na-O-P-S +mp-11738,Na3PS3O,-4.8431921894,-1.501077602,0.0,-0.0108943754,GGA,Cmc2_1,A3BCD3_oC32_36_ab_a_a_ab:Na-O-P-S,16.0,"Invalid WP multiplicities - A3BCD3_oC32_36_a2b_a_a_a2b:Na-O-P-S, expected Na5PS5O to be Na3PS3O" +mp-1199379,BaNaPSO12,-5.6788972713,-1.1694274499,0.6716626715,0.6716626715,GGA,P2_13,ABC12DE_cP64_198_a_a_4b_a_a:Ba-Na-O-P-S,64.0,ABC12DE_cP64_198_a_a_4b_a_a:Ba-Na-O-P-S +mp-1182371,BaP2S2O9,-6.0016068857,-1.3202727365,1.0903402589,1.0903402589,GGA,P-1,AB9C2D2_aP28_2_i_9i_2i_2i:Ba-O-P-S,28.0,AB9C2D2_aP28_2_i_9i_2i_2i:Ba-O-P-S +mp-558432,Na3P(SO)2,-5.2959761367,-1.8525816938,0.0,-4.49133e-05,GGA,Pbca,A3B2CD2_oP64_61_3c_2c_c_2c:Na-O-P-S,64.0,"Invalid WP multiplicities - A3B2CD2_oP64_61_20c_8c_c_10c:Na-O-P-S, expected Na20P(S5O4)2 to be Na3P(SO)2" +mp-18912,Na5NiSO2,-4.0298449389,-1.094001557,0.2020406911,0.2020406911,GGA+U,P4/mmm,A5BC2D_tP9_123_ai_b_g_c:Na-Ni-O-S,9.0,A5BC2D_tP9_123_ai_b_g_c:Na-Ni-O-S +mp-1210276,Na6Ni(SO4)4,-6.1613780067,-2.1092258849,0.0,-0.0086348956,GGA+U,P2_1/c,A6BC16D4_mP54_14_3e_a_8e_2e:Na-Ni-O-S,54.0,A6BC16D4_mP54_14_3e_a_8e_2e:Na-Ni-O-S +mp-1210821,Na2Ni(SO7)2,-5.3842688042,-0.8604935959000001,0.4991120183,0.4991120183,GGA+U,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:Na-Ni-O-S,38.0,A2BC14D2_mP38_14_e_a_7e_e:Na-Ni-O-S +mp-1210784,Na2Ni(SO6)2,-5.6134850874,-1.1394644088,0.3800948071,0.3800948071,GGA+U,P2_1/c,A2BC12D2_mP34_14_e_a_6e_e:Na-Ni-O-S,34.0,A2BC12D2_mP34_14_e_a_6e_e:Na-Ni-O-S +mp-771143,Na3NiBSO7,-6.3534727375,-2.1080592624,0.0743297044,0.0743297044,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Na-Ni-O-S,52.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Na-Ni-O-S +mp-540577,KZr2(PO4)3,-8.4035046197,-3.1920617163,0.0,-0.0476177952,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:K-O-P-Zr,36.0,AB12C3D2_hR108_167_b_2f_e_c:K-O-P-Zr +mp-726320,KZr(PO4)2,-7.882658947899999,-2.8778077579,0.0768759851,0.0768759851,GGA,P2/c,AB8C2D_mP48_13_ef_8g_2g_g:K-O-P-Zr,48.0,AB8C2D_mP48_13_ef_8g_2g_g:K-O-P-Zr +mp-704534,K4Zr3Mn(PO4)6,-7.967592495,-2.955827835,0.067354946,0.067354946,GGA+U,P2_1,A4BC24D6E3_mP76_4_4a_a_24a_6a_3a:K-Mn-O-P-Zr,76.0,"Invalid WP multiplicities - A4BC24D6E3_mP76_4_6a_a_46a_10a_4a:K-Mn-O-P-Zr, expected K6Zr4Mn(P5O23)2 to be K4Zr3Mn(PO4)6" +mp-1223853,K2Zr(PO4)2,-7.7238198038,-3.0185418633,0.0,-0.0267787213,GGA,P-3,A2B8C2D_hP13_147_d_dg_d_a:K-O-P-Zr,13.0,A2B8C2D_hP13_147_d_dg_d_a:K-O-P-Zr +mp-1193798,La3FeW(SO2)3,-8.24702285,-2.6523332341,0.119149196,0.119149196,GGA+U,P6_3/m,AB3C6D3E_hP28_176_b_h_i_h_c:Fe-La-O-S-W,28.0,AB3C6D3E_hP28_176_b_h_i_h_c:Fe-La-O-S-W +mp-1213561,Fe2W4S2O9,-7.4766372735,-0.3257160103,1.4885564681,1.4885564681,GGA+U,P-1,A2B9C2D4_aP34_2_2i_9i_2i_4i:Fe-O-S-W,34.0,A2B9C2D4_aP34_2_2i_9i_2i_4i:Fe-O-S-W +mp-1211279,La2Fe2S2O3,-7.9685169867,-2.4212922647,0.068284644,0.068284644,GGA+U,I4/mmm,A2B2C3D2_tI18_139_c_e_ad_e:Fe-La-O-S,9.0,A2B2C3D2_tI18_139_c_e_ad_e:Fe-La-O-S +mp-1213582,Na3PCO11,-5.6101559706,-1.0462109892,0.5743509221,0.5743509221,GGA,P2_1/c,AB3C11D_mP64_14_e_3e_11e_e:C-Na-O-P,64.0,AB3C11D_mP64_14_e_3e_11e_e:C-Na-O-P +mp-767556,NaTiPCO7,-7.9598783359,-2.6428959461,0.0235520687,0.0235520687,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Ti,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Ti, expected NaTiPCO13 to be NaTiPCO7" +mp-767550,Na2TiPCO7,-7.535371135,-2.5512601699,0.0800899088,0.0800899088,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Ti,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Ti, expected Na2TiPCO13 to be Na2TiPCO7" +mp-1019781,K2Na3P3O10,-6.6397163178,-2.6455402952,0.0,-0.0123498429,GGA,C2/c,A2B3C10D3_mC72_15_f_cf_5f_ef:K-Na-O-P,36.0,A2B3C10D3_mC72_15_f_af_5f_ef:K-Na-O-P +mp-17889,KNa2(PO3)3,-6.9554763307,-2.6544393003,0.0037445467,0.0037445467,GGA,P-1,AB2C9D3_aP30_2_i_2i_9i_3i:K-Na-O-P,30.0,"Invalid WP multiplicities - AB2C9D3_aP30_2_i_3i_9i_5i:K-Na-O-P, expected KNa3P5O9 to be KNa2(PO3)3" +mp-1211611,KNaTi2(PO5)2,-7.9326750391,-3.0253375141,0.0018553116,0.0018553116,GGA,Pna2_1,ABC10D2E2_oP64_33_a_a_10a_2a_2a:K-Na-O-P-Ti,64.0,ABC10D2E2_oP64_33_a_a_10a_2a_2a:K-Na-O-P-Ti +mp-1202013,K3NaP2O11,-5.5960997547,-1.4846936976,0.5135899672,0.5135899672,GGA,P2_1/c,A3BC11D2_mP68_14_3e_e_11e_2e:K-Na-O-P,68.0,A3BC11D2_mP68_14_3e_e_11e_2e:K-Na-O-P +mp-1223398,KNaTi4(PO4)6,-8.168443205300001,-3.023575527,0.0049291207,0.0049291207,GGA,R-3,ABC24D6E4_hR108_148_a_b_4f_f_2c:K-Na-O-P-Ti,36.0,"Invalid WP multiplicities - ABC24D6E4_hR108_148_a_b_8f_f_4c:K-Na-O-P-Ti, expected KNaTi8(PO8)6 to be KNaTi4(PO4)6" +mp-1220749,NaVWO6,-8.1496581478,-2.2558032743,0.0407533996,0.0407533996,GGA+U,Cm,AB6CD_mC18_8_a_6a_a_a:Na-O-V-W,,AB6CD_mC18_8_a_6a_a_a:Na-O-V-W +mp-1222594,Na7V(W3O19)2,-6.4641061179,-1.0013265884,0.643472794,0.643472794,GGA+U,P1,A7B38CD6_aP52_1_7a_38a_a_6a:Na-O-V-W,52.0,A7B38CD6_aP52_1_7a_38a_a_6a:Na-O-V-W +mp-1216354,VCrP2,-8.0639003613,-0.6730107229,0.0037738381,0.0037738381,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Cr-P-V,8.0,AB2C_oP8_26_a_ab_b:Cr-P-V +mp-767779,VCr(P2O7)2,-8.0402181857,-2.5580279095,0.0210027461,0.0210027461,GGA+U,P1,AB14C4D_aP20_1_a_14a_4a_a:Cr-O-P-V,40.0,AB14C4D_aP20_1_a_14a_4a_a:Cr-O-P-V +mp-775008,V3Cr(PO4)6,-8.0561700294,-2.5236668003,0.0232212163,0.0232212163,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cr-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cr-O-P-V, expected V3Cr(PO10)6 to be V3Cr(PO4)6" +mp-850780,V2Sn(PO4)3,-7.9793987625,-2.5473123153,0.0571960658,0.0571960658,GGA+U,R-3c,A12B3CD2_hR108_167_2f_e_b_c:O-P-Sn-V,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_167_13f_e_b_c:O-P-Sn-V, expected V2Sn(PO26)3 to be V2Sn(PO4)3" +mp-790062,V5Sn(PO4)6,-8.16628374,-2.5932435646,0.05996298,0.05996298,GGA+U,R3,A24B6CD5_hR108_146_8b_2b_a_5a:O-P-Sn-V,36.0,"Invalid WP multiplicities - A24B6CD5_hR108_146_20b_2b_a_5a:O-P-Sn-V, expected V5Sn(PO10)6 to be V5Sn(PO4)6" +mp-753543,VSn(PO4)2,-7.7660905387,-2.4749578197,0.0808523978,0.0808523978,GGA+U,P2_1/m,A8B2CD_mP24_11_4e2f_2e_e_e:O-P-Sn-V,48.0,A8B2CD_mP24_11_4e2f_2e_e_e:O-P-Sn-V +mp-558344,VSnPO5,-7.8628673953,-2.4578393968,0.0,-0.0096964356,GGA+U,P-1,A5BCD_aP16_2_5i_i_i_i:O-P-Sn-V,32.0,A5BCD_aP16_2_5i_i_i_i:O-P-Sn-V +mp-774402,VCr3(PO4)6,-7.9524199341,-2.3864377991,0.0473622618,0.0473622618,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Cr-O-P-V,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Cr-O-P-V, expected VCr3(PO10)6 to be VCr3(PO4)6" +mp-752732,VCr(PO4)2,-8.325626005,-2.5642036514,0.0854399092,0.0854399092,GGA+U,R3,AB8C2D_hR108_146_3a_8b_2b_3a:Cr-O-P-V,36.0,"Invalid WP multiplicities - AB8C2D_hR108_146_3a_20b_2b_3a:Cr-O-P-V, expected VCr(PO10)2 to be VCr(PO4)2" +mp-850428,V3Cr2Sn(PO4)6,-8.1303846014,-2.5257254593000003,0.0926403202,0.0926403202,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cr-O-P-Sn-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cr-O-P-Sn-V, expected V3Cr2Sn(PO10)6 to be V3Cr2Sn(PO4)6" +mp-771696,V2Cr(PO4)3,-8.3141840036,-2.5685711333,0.0984928097,0.0984928097,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Cr-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Cr-O-P-V, expected V2Cr(PO26)3 to be V2Cr(PO4)3" +mp-770858,V5Cr(PO4)6,-8.3517855678,-2.6219821808,0.0625021447,0.0625021447,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Cr-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Cr-O-P-V, expected V5Cr(PO10)6 to be V5Cr(PO4)6" +mp-776765,V3CrSn2(PO4)6,-7.9886941144,-2.5407981839,0.0462898147,0.0462898147,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cr-O-P-Sn-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Cr-O-P-Sn-V, expected V3CrSn2(PO10)6 to be V3CrSn2(PO4)6" +mp-504945,MnFeH4O2F5,-5.9882651146,-2.0918256575,0.0,-0.0032173544,GGA+U,Imma,A5BC4DE2_oI52_74_ej_c_j_a_h:F-Fe-H-Mn-O,26.0,A5BC4DE2_oI52_74_ej_c_j_a_h:F-Fe-H-Mn-O +mp-744767,MnFeH14O7F5,-5.3071829914,-1.4030966718,0.2549227515,0.2549227515,GGA+U,C2/c,A5BC14DE7_mC224_15_5f_cd_14f_2e_2e6f:F-Fe-H-Mn-O,112.0,A5BC14DE7_mC224_15_5f_cd_14f_2e_2e6f:F-Fe-H-Mn-O +mp-23994,U2Si(H2O5)2,-8.0422772847,-2.6866343822000003,0.0428649509,0.0428649509,GGA,Fddd,A4B10CD2_oF136_70_h_e2h_a_e:H-O-Si-U,34.0,"Invalid WP multiplicities - A4B10CD2_oF136_70_h_e3h_a_e:H-O-Si-U, expected U2Si(H2O7)2 to be U2Si(H2O5)2" +mp-1208188,U2CoSi2(H7O9)2,-6.853405762,-2.0674507537,0.041042855,0.041042855,GGA+U,Cmce,AB14C18D2E2_oC148_64_a_3f2g_5f2g_f_f:Co-H-O-Si-U,74.0,AB14C18D2E2_oC148_64_a_3f2g_5f2g_f_f:Co-H-O-Si-U +mp-1106308,KOsBr4NO2,-4.8608521933,-0.7742130773,0.3020161174,0.3020161174,GGA,Cmc2_1,A4BCD2E_oC36_36_2b_a_a_2a_a:Br-K-N-O-Os,18.0,A4BCD2E_oC36_36_2b_a_a_2a_a:Br-K-N-O-Os +mp-1180939,KOsBr4NO2,-4.23580628,-0.1491671639,0.9270620308,0.9270620308,GGA,Cmc2_1,A4BCD2E_oC36_36_2b_a_a_2a_a:Br-K-N-O-Os,18.0,A4BCD2E_oC36_36_2b_a_a_2a_a:Br-K-N-O-Os +mp-1246625,K6OsN4,-4.6411467595,0.0166478597,0.2192369771,0.2192369771,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:K-N-Os,22.0,A6B4C_tP22_137_df_g_a:K-N-Os +mp-1180977,K2Os(NO5)2,-6.020074991,-0.7142055052,0.7470122987000001,0.7470122987000001,GGA,P2_1/c,A2B2C10D_mP60_14_2e_2e_10e_e:K-N-O-Os,60.0,A2B2C10D_mP60_14_2e_2e_10e_e:K-N-O-Os +mp-1029965,K15Os7N19,-6.3221885798,-0.1358237068,0.1223538878,0.1223538878,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:K-N-Os,82.0,A15B19C7_aP82_2_bd14i_19i_7i:K-N-Os +mp-27835,K2OsBr6,-3.8276418178,-1.2980490062,0.0,-0.0425602703,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Os,9.0,A6B2C_cF36_225_e_c_a:Br-K-Os +mp-1246367,KOsN2,-7.3174346473,-0.0647455906,0.2138144457,0.2138144457,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-Os,64.0,AB2C_oP64_61_2c_4c_2c:K-N-Os +mp-1223372,KOsNO3,-7.2795517625,-1.3604971899,0.030137972,0.030137972,GGA,P1,ABC3D_aP12_1_2a_2a_6a_2a:K-N-O-Os,12.0,ABC3D_aP12_1_2a_2a_6a_2a:K-N-O-Os +mp-1200199,K2Be2Ni(O3F4)2,-4.7441570379,-1.5624873373,0.5989591925000001,0.5989591925000001,GGA+U,P2_1/c,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-K-Ni-O,38.0,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-K-Ni-O +mp-1212188,K2Be3Ni2F12,-5.6099184237,-3.0869153995,0.0016902311,0.0016902311,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-K-Ni,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-K-Ni +mp-23844,HgHOF,-3.9740563688,-1.3354128466,0.0,-0.0504161678,GGA,P2_12_12_1,ABCD_oP16_19_a_a_a_a:F-H-Hg-O,16.0,ABCD_oP16_19_a_a_a_a:F-H-Hg-O +mp-1201277,Hg2As5H6O2F31,-4.6203770491,-2.1549741265,0.0076109239,0.0076109239,GGA,P2_1/c,A5B31C6D2E2_mP92_14_a2e_c15e_3e_e_e:As-F-H-Hg-O,92.0,A5B31C6D2E2_mP92_14_a2e_c15e_3e_e_e:As-F-H-Hg-O +mp-1194683,HgAs2HF13,-4.4590686197,-2.231782161,0.0,-0.0039462665,GGA,P2_1/c,A2B13CD_mP68_14_2e_13e_e_e:As-F-H-Hg,68.0,A2B13CD_mP68_14_2e_13e_e_e:As-F-H-Hg +mp-1105456,HgAs2H2F14,-4.4545006505,-2.1824967132,0.0,-0.0039904755,GGA,P-1,A2B14C2D_aP19_2_i_7i_i_a:As-F-H-Hg,19.0,A2B14C2D_aP19_2_i_7i_i_a:As-F-H-Hg +mp-1191113,AsH3OF6,-4.8987647736,-2.0575957685,0.0,-0.0540523423,GGA,P-1,AB6C3D_aP22_2_i_6i_3i_i:As-F-H-O,22.0,AB6C3D_aP22_2_i_6i_3i_i:As-F-H-O +mp-757145,SmH2ClO2,-6.2842163596,-2.409890975,0.0,-0.0238740033,GGA,Pnma,AB2C2D_oP24_62_c_2c_2c_c:Cl-H-O-Sm,24.0,"Invalid WP multiplicities - AB2C2D_oP24_62_c_5c_5c_c:Cl-H-O-Sm, expected SmH5ClO5 to be SmH2ClO2" +mp-1204794,SmH4I3O11,-5.4795232489,-1.4204092916,0.0010267043,0.0010267043,GGA,P-1,A4B3C11D_aP38_2_4i_3i_11i_i:H-I-O-Sm,38.0,A4B3C11D_aP38_2_4i_3i_11i_i:H-I-O-Sm +mp-1212600,HI(ClO)4,-3.308049085,-0.103349697,0.4192670875,0.4192670875,GGA,P2_1/c,A4BCD4_mP20_14_2e_a_d_2e:Cl-H-I-O,20.0,A4BCD4_mP20_14_2e_a_b_2e:Cl-H-I-O +mp-779015,SmHIClO13,-5.4998960956000005,-1.0445920699,0.0,-0.049538215,GGA,P2_1/c,ABCD13E_mP68_14_e_e_e_13e_e:Cl-H-I-O-Sm,68.0,ABCD13E_mP68_14_e_e_e_13e_e:Cl-H-I-O-Sm +mp-1210515,SmIClO13,-4.9789128009,-0.4571976515,0.4767263243,0.4767263243,GGA,P2_1/c,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Sm,64.0,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Sm +mp-505698,SmH18(IO3)3,-5.0580595552,-1.357157865,0.0,-0.018906003,GGA,Pmmn,A18B3C9D_oP62_59_3e3g_be_aefg_a:H-I-O-Sm,62.0,A18B3C9D_oP62_59_3e3g_be_aefg_a:H-I-O-Sm +mp-1178622,ZrCu2(O3F2)4,-4.9328500183,-0.9590147902,0.3840337047,0.3840337047,GGA,C2/c,A2B8C12D_mC92_15_f_4f_6f_e:Cu-F-O-Zr,46.0,A2B8C12D_mC92_15_f_4f_6f_e:Cu-F-O-Zr +mp-1198265,ZrCu2(O3F2)4,-4.4419410828,-0.4681058548,0.8749426401,0.8749426401,GGA,C2/c,A2B8C12D_mC92_15_f_4f_6f_e:Cu-F-O-Zr,46.0,A2B8C12D_mC92_15_f_4f_6f_e:Cu-F-O-Zr +mp-728393,K2Zr2Cu(OF2)6,-5.4118723409000005,-2.1060773104,0.4479019322,0.4479019322,GGA,P2_1/c,AB12C2D6E2_mP46_14_a_6e_e_3e_e:Cu-F-K-O-Zr,46.0,AB12C2D6E2_mP46_14_a_6e_e_3e_e:Cu-F-K-O-Zr +mp-1178639,Zr2Cu3(O8F7)2,-4.9359071297,-1.0701715241,0.5395830896,0.5395830896,GGA,P2_1/c,A3B14C16D2_mP70_14_ae_7e_8e_e:Cu-F-O-Zr,70.0,A3B14C16D2_mP70_14_ae_7e_8e_e:Cu-F-O-Zr +mp-1205226,Zr2Cu3(O8F7)2,-5.0247272539,-1.1589916483,0.4507629654,0.4507629654,GGA,P2_1/c,A3B14C16D2_mP70_14_ae_7e_8e_e:Cu-F-O-Zr,70.0,A3B14C16D2_mP70_14_ae_7e_8e_e:Cu-F-O-Zr +mp-17888,K2Zr3OF12,-6.9616588033,-3.8645290197,0.0,-0.0294934293,GGA,R-3m,A12B2CD3_hR108_166_f3h_abc_c_h:F-K-O-Zr,36.0,"Invalid WP multiplicities - A12B2CD3_hR108_166_f4h_abc_c_h:F-K-O-Zr, expected K2Zr3OF15 to be K2Zr3OF12" +mp-554117,KZrCuF7,-5.917308116,-3.2035422141,0.0054748792,0.0054748792,GGA,Cmcm,AB7CD_oC80_63_f_ac3fgh_g_f:Cu-F-K-Zr,40.0,"Invalid WP multiplicities - AB7CD_oC80_63_f_2a2c9f3g6h_g_f:Cu-F-K-Zr, expected KZrCuF26 to be KZrCuF7" +mp-1207536,ZrCu(O2F3)2,-5.2026481158,-1.5441034533,0.5768378881,0.5768378881,GGA,P2_1/c,AB6C4D_mP24_14_a_3e_2e_d:Cu-F-O-Zr,24.0,AB6C4D_mP24_14_a_3e_2e_b:Cu-F-O-Zr +mp-557522,PCl2OF,-5.195760947,-2.0020522459,0.0016009826,0.0016009826,GGA,P2_1/c,A2BCD_mP20_14_2e_e_e_e:Cl-F-O-P,20.0,"Invalid WP multiplicities - A2BCD_mP20_14_4e_e_e_e:Cl-F-O-P, expected PCl4OF to be PCl2OF" +mp-6669,Sr5P3O12F,-7.5243964457,-3.4311050986,0.0,-0.0449795745,GGA,P6_3/m,AB12C3D5_hP42_176_a_2hi_h_fh:F-O-P-Sr,42.0,AB12C3D5_hP42_176_a_2hi_h_fh:F-O-P-Sr +mp-705932,Sr10P6ClO24F,-7.4726027477,-3.380810027,0.0008729057,0.0008729057,GGA,P2_1,ABC24D6E10_mP84_4_a_a_24a_6a_10a:Cl-F-O-P-Sr,84.0,"Invalid WP multiplicities - ABC24D6E10_mP84_4_a_a_47a_11a_20a:Cl-F-O-P-Sr, expected Sr20P11ClO47F to be Sr10P6ClO24F" +mp-1218899,Sr10P6ClO24F,-7.4643372767,-3.3725445559,0.0091383768,0.0091383768,GGA,P3,ABC24D6E10_hP42_143_a_a_8d_2d_2b2c2d:Cl-F-O-P-Sr,42.0,ABC24D6E10_hP42_143_a_a_8d_2d_2b2c2d:Cl-F-O-P-Sr +mp-558681,PClOF2,-5.6258891778,-2.4195920152,0.0,-0.0123815904,GGA,Pnma,AB2CD_oP40_62_2c_2d_2c_2c:Cl-F-O-P,40.0,"Invalid WP multiplicities - AB2CD_oP40_62_7c_6d_5c_4c:Cl-F-O-P, expected P4Cl7O5F12 to be PClOF2" +mp-720255,Sr20P12Cl(O16F)3,-7.4947223493,-3.4021803154,0.0042137003,0.0042137003,GGA,P1,AB3C48D12E20_aP84_1_a_3a_48a_12a_20a:Cl-F-O-P-Sr,84.0,AB3C48D12E20_aP84_1_a_3a_48a_12a_20a:Cl-F-O-P-Sr +mp-1211598,KHgH2Cl3O,-3.7396313781,-1.4031526165,0.0251572511,0.0251572511,GGA,Pnma,A3B2CDE_oP32_62_3c_2c_c_c_c:Cl-H-Hg-K-O,32.0,A3B2CDE_oP32_62_3c_2c_c_c_c:Cl-H-Hg-K-O +mp-634466,HgH12(ClO7)2,-4.8692962734,-0.9393959913,0.0180302332,0.0180302332,GGA,P-3m1,A2B12CD14_hP29_164_d_j_a_d2i:Cl-H-Hg-O,29.0,A2B12CD14_hP29_164_d_j_a_d2i:Cl-H-Hg-O +mp-24294,HgHClO4,-4.3041022364,-0.6852882486,0.0,-0.030868991,GGA,Pbcm,ABCD4_oP28_57_d_d_c_2de:Cl-H-Hg-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_57_d_d_c_2d2e:Cl-H-Hg-O, expected HgHClO6 to be HgHClO4" +mp-23926,K2HgH2Cl4O,-3.7525762787,-1.5874997087,0.010213019,0.010213019,GGA,Pbam,A4B2CD2E_oP40_55_ghi_i_e_gh_f:Cl-H-Hg-K-O,40.0,A4B2CD2E_oP40_55_ghi_i_e_gh_f:Cl-H-Hg-K-O +mp-1212075,K2HgHCl4,-2.8974555794,-1.2335367114,0.3120846938,0.3120846938,GGA,Pbam,A4BCD2_oP16_55_gh_a_c_h:Cl-H-Hg-K,16.0,A4BCD2_oP16_55_gh_a_c_h:Cl-H-Hg-K +mp-1063495,HgBrN,-2.5519581567,0.8457763833,1.3351441267,1.3351441267,GGA,Pmm2,ABC_oP3_25_b_c_a:Br-Hg-N,3.0,ABC_oP3_25_b_c_a:Br-Hg-N +mp-1223896,HgBrN,-2.5750764067,0.8226581333,1.3120258767,1.3120258767,GGA,P4/mmm,ABC_tP3_123_c_a_b:Br-Hg-N,3.0,ABC_tP3_123_c_a_b:Br-Hg-N +mp-23354,Hg2BrN,-2.642892,-0.0186710037,0.3483548037,0.3483548037,GGA,P6_3/mmc,AB2C_hP16_194_ac_dg_f:Br-Hg-N,16.0,"Invalid WP multiplicities - AB2C_hP16_194_2a2c_dg_f:Br-Hg-N, expected Hg2Br2N to be Hg2BrN" +mp-1102516,KHgBr3O,-2.612921,-0.7762788311000001,0.4144764066,0.4144764066,GGA,Cmc2_1,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O,12.0,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O +mp-724971,KHgBr3O,-2.550831205,-0.7141890361000001,0.4765662016,0.4765662016,GGA,Cmc2_1,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O,12.0,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O +mp-731978,KHgBr3O,-2.6570937658,-0.820451597,0.3703036407,0.3703036407,GGA,Cmc2_1,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O,12.0,A3BCD_oC24_36_3a_a_a_a:Br-Hg-K-O +mp-1189137,Hg5Br11N,-2.0503636812,-0.4657631882,0.278260374,0.278260374,GGA,C2/m,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-N,17.0,A11B5C_mC34_12_ci2j_bj_a:Br-Hg-N +mp-561222,K2HgBr2(NO6)2,-5.2370882955,-0.9389941216,0.0,-0.0365176057,GGA,Pnnm,A2BC2D2E12_oP38_58_g_a_g_g_2g2h:Br-Hg-K-N-O,38.0,"Invalid WP multiplicities - A2BC2D2E12_oP38_58_g_a_g_g_7g11h:Br-Hg-K-N-O, expected K2HgBr2(NO29)2 to be K2HgBr2(NO6)2" +mp-1079322,Hg2Br2N,-2.460705076,-0.050722613,0.536518679,0.536518679,GGA,P321,A2B2C_hP10_150_af_be_d:Br-Hg-N,10.0,A2B2C_hP10_150_af_be_d:Br-Hg-N +mp-1078929,Hg2Br2N,-2.461348624,-0.051366161,0.5358751310000001,0.5358751310000001,GGA,P-62m,A2B2C_hP10_189_ag_bf_c:Br-Hg-N,10.0,A2B2C_hP10_189_ag_bf_c:Br-Hg-N +mp-1192675,Hg(Br3N2)2,-4.0520418145,-0.1458754468,0.0840954724,0.0840954724,GGA,P4/mnc,A6BC4_tP22_128_eh_a_g:Br-Hg-N,22.0,A6BC4_tP22_128_eh_a_g:Br-Hg-N +mp-6569,K3HgN5O11,-6.093729166,-1.1071827833,0.0932982461,0.0932982461,GGA,Pnma,AB3C5D11_oP80_62_c_cd_3cd_3c4d:Hg-K-N-O,80.0,"Invalid WP multiplicities - AB3C5D11_oP80_62_c_cd_3c2d_4c6d:Hg-K-N-O, expected K3HgN7O16 to be K3HgN5O11" +mp-1102279,HgBr3NO,-2.8967875758,0.1442039227,0.7375993682,0.7375993682,GGA,Cmc2_1,A3BCD_oC24_36_3a_a_a_a:Br-Hg-N-O,12.0,A3BCD_oC24_36_3a_a_a_a:Br-Hg-N-O +mp-621943,Re2C3I4O3,-6.859781194,-0.7507326622,0.1175910208,0.1175910208,GGA,C2/c,A3B4C3D2_mC96_15_3f_4f_3f_2f:C-I-O-Re,48.0,"Invalid WP multiplicities - A3B4C3D2_mC96_15_9f_15f_11f_6f:C-I-O-Re, expected Re6C9I15O11 to be Re2C3I4O3" +mp-621953,ReC4IO4,-8.0851619724,-1.0232309374,0.1292494457,0.1292494457,GGA,P2_1/c,A4BC4D_mP80_14_8e_2e_8e_2e:C-I-O-Re,80.0,"Invalid WP multiplicities - A4BC4D_mP80_14_30e_6e_31e_4e:C-I-O-Re, expected Re4C30I6O31 to be ReC4IO4" +mp-572674,ReC2(IO)2,-7.0771767195,-0.8283241063000001,0.1056330432,0.1056330432,GGA,R-3,A2B2C2D_hR63_148_f_f_f_ac:C-I-O-Re,21.0,"Invalid WP multiplicities - A2B2C2D_hR63_148_f_f_f_a2c:C-I-O-Re, expected Re5C6(IO)6 to be ReC2(IO)2" +mp-1200518,InRe4C14I3O14,-8.0708750921,-0.9762959151,0.2119250117,0.2119250117,GGA,C2/c,A14B3CD14E4_mC144_15_7f_ef_e_7f_2f:C-I-In-O-Re,72.0,A14B3CD14E4_mC144_15_7f_ef_e_7f_2f:C-I-In-O-Re +mp-616468,ReC5IO5,-8.0827552175,-1.0165331714,0.1651601393,0.1651601393,GGA,Cmcm,A5BC5D_oC48_63_ch_c_ch_c:C-I-O-Re,24.0,"Invalid WP multiplicities - A5BC5D_oC48_63_2c3h_c_2c3h_c:C-I-O-Re, expected ReC14IO14 to be ReC5IO5" +mp-1044526,Ba2YCu2F11,-5.7911347815,-3.3205658455,0.0517143125,0.0517143125,GGA,P3_2,A2B2C11D_hP48_145_2a_2a_11a_a:Ba-Cu-F-Y,48.0,"Invalid WP multiplicities - A2B2C11D_hP48_145_5a_5a_31a_a:Ba-Cu-F-Y, expected Ba5YCu5F31 to be Ba2YCu2F11" +mp-1214572,Ba2YCu3O6F,-6.4636049008,-2.2948624209,0.0994714554,0.0994714554,GGA,Pmmm,A2B3CD6E_oP13_47_k_cj_a_ijl_f:Ba-Cu-F-O-Y,13.0,A2B3CD6E_oP13_47_k_cj_a_ijl_f:Ba-Cu-F-O-Y +mp-1521008,KSrDyWO6,-7.957798552,-2.9533043782,0.0041352669,0.0041352669,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Sr-W +mp-10423,KAuC2,-5.5354481125,0.1749548705,0.3377925133,0.3377925133,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Au-C-K,4.0,AB2C_tP4_123_a_g_d:Au-C-K +mp-557602,KBa4Au(CO)4,-5.97096374,-1.0594210599,0.6028405307,0.6028405307,GGA,I4/mmm,AB4C4DE4_tI28_139_a_g_2e_b_h:Au-Ba-C-K-O,14.0,AB4C4DE4_tI28_139_a_g_2e_b_h:Au-Ba-C-K-O +mp-1223585,KBaC20,-8.3274265377,0.1999681776,0.2408416593,0.2408416593,GGA,Imm2,AB20C_oI132_44_ac_2c2d13e_ad:Ba-C-K,66.0,"Invalid WP multiplicities - AB20C_oI132_44_ac_2c3d37e_ad:Ba-C-K, expected K3Ba3C158 to be KBaC20" +mp-1096579,KBaAu2,-2.0139821225,0.3803023492,0.9356404118,0.9356404118,GGA,Immm,A2BC_oI8_71_e_a_b:Au-Ba-K,4.0,A2BC_oI8_71_e_a_b:Au-Ba-K +mp-1232309,Ba2Au(CO)2,-5.9380848236,-0.8720076396,0.7746181954,0.7746181954,GGA,I4/mmm,AB2C2D2_tI28_139_ab_g_2e_h:Au-Ba-C-O,14.0,AB2C2D2_tI28_139_ab_g_2e_h:Au-Ba-C-O +mp-3032,RbBF4,-5.860751735,-3.3097781161,0.0,-0.276711396,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-Rb,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:B-F-Rb, expected RbBF6 to be RbBF4" +mp-1195055,RbLi6B2O6F,-6.1776221725,-2.5910930444,0.0047132006,0.0047132006,GGA,Pnma,A2BC6D6E_oP64_62_d_c_3d_3d_c:B-F-Li-O-Rb,64.0,A2BC6D6E_oP64_62_d_c_3d_3d_c:B-F-Li-O-Rb +mp-1039895,RbMg30BO31,-6.1678066517,-2.8500974868,0.1423484188,0.1423484188,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i_b:B-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i_b:B-Mg-O-Rb, expected RbMg38BO39 to be RbMg30BO31" +mp-1039725,RbMg30BO31,-6.1738089903,-2.8560998254000003,0.1363460802,0.1363460802,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i_b:B-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i_b:B-Mg-O-Rb, expected RbMg38BO39 to be RbMg30BO31" +mp-1039998,RbMg30BO31,-6.1344363351,-2.8167271701,0.1757187355,0.1757187355,GGA,Pmm2,AB30C31D_oP63_25_a_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i_d:B-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i_d:B-Mg-O-Rb, expected RbMg38BO39 to be RbMg30BO31" +mp-1039762,RbMg30BO31,-6.1117961251,-2.7940869601,0.1983589455,0.1983589455,GGA,P4mm,AB30C31D_tP63_99_a_ab2c2d2e2f_2ab2c2d2e2f_b:B-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_tP63_99_a_ab2c2d6e6f_2ab2c2d6e6f_b:B-Mg-O-Rb, expected RbMg62BO63 to be RbMg30BO31" +mp-1034231,RbMg14BO16,-6.1446068228,-2.7317672627,0.2683944647,0.2683944647,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-Rb, expected RbMg18BO20 to be RbMg14BO16" +mp-1034177,RbMg14BO16,-6.045862735,-2.6330231749,0.3671385525,0.3671385525,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-Rb, expected RbMg30BO32 to be RbMg14BO16" +mp-1033557,RbMg6BO8,-5.9673268756,-2.415132136,0.5311510194,0.5311510194,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-Rb, expected RbMg6BO12 to be RbMg6BO8" +mp-1033587,RbMg6BO8,-5.6888981994000005,-2.1367034598,0.8095796956,0.8095796956,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-Rb, expected RbMg6BO12 to be RbMg6BO8" +mp-1039672,RbMg30BO32,-6.2479649328,-2.9048029624,0.1222980509,0.1222980509,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-Rb, expected RbMg90BO80 to be RbMg30BO32" +mp-1039674,RbMg30BO32,-6.2052390311,-2.8620770607,0.1650239527,0.1650239527,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-Rb, expected RbMg110BO72 to be RbMg30BO32" +mp-1034243,RbMg14BO15,-5.9027991658,-2.5394386106,0.3894259853,0.3894259853,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:B-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:B-Mg-O-Rb +mp-1034270,RbMg14BO15,-5.9198770239,-2.5565164686,0.3723481273,0.3723481273,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:B-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:B-Mg-O-Rb +mp-1034284,RbMg14BO15,-5.9904391097000005,-2.6270785544,0.3017860415,0.3017860415,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:B-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:B-Mg-O-Rb +mp-1034374,RbMg14BO15,-5.9876152219000005,-2.6242546667,0.3046099292,0.3046099292,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:B-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:B-Mg-O-Rb +mp-1020633,RbMgBO3,-6.78339992,-2.7666879155,0.0,-8.04506e-05,GGA,P2_13,ABC3D_cP24_198_a_a_b_a:B-Mg-O-Rb,24.0,ABC3D_cP24_198_a_a_b_a:B-Mg-O-Rb +mp-1033689,RbMg6BO7,-5.6087316427000005,-2.1495031679,0.6458406777,0.6458406777,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_2ab2c_b:B-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_2ab4c_b:B-Mg-O-Rb, expected RbMg10BO11 to be RbMg6BO7" +mp-1033632,RbMg6BO7,-5.600370376,-2.1411419012,0.6542019444,0.6542019444,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_2ab2c_a:B-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_2ab4c_a:B-Mg-O-Rb, expected RbMg10BO11 to be RbMg6BO7" +mp-1033624,RbMg6BO7,-5.591547406,-2.1323189312,0.6630249144,0.6630249144,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_a2b2c_a:B-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_a2b4c_a:B-Mg-O-Rb, expected RbMg10BO11 to be RbMg6BO7" +mp-1033656,RbMg6BO7,-5.3239342507,-1.8647057759,0.9306380697,0.9306380697,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_a2b2c_b:B-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_a2b4c_b:B-Mg-O-Rb, expected RbMg10BO11 to be RbMg6BO7" +mp-1200013,Rb18Mg6B29O58F,-7.3308186412,-2.7792732913,0.0,-0.0057154251,GGA,C2/c,A29BC6D58E18_mC448_15_e14f_c_3f_29f_9f:B-F-Mg-O-Rb,224.0,A29BC6D58E18_mC448_15_e14f_a_3f_29f_9f:B-F-Mg-O-Rb +mp-765567,Li4P5HO15,-7.0814203822,-2.5896099537,0.0018664864,0.0018664864,GGA,P-1,AB4C15D5_aP50_2_i_4i_15i_5i:H-Li-O-P,50.0,"Invalid WP multiplicities - AB4C15D5_aP50_2_i_7i_29i_9i:H-Li-O-P, expected Li7P9HO29 to be Li4P5HO15" +mp-23931,LiPH2O3,-6.0973858568,-1.9619939143,0.0122727682,0.0122727682,GGA,Pna2_1,A2BC3D_oP28_33_2a_a_3a_a:H-Li-O-P,28.0,"Invalid WP multiplicities - A2BC3D_oP28_33_2a_a_7a_a:H-Li-O-P, expected LiPH2O7 to be LiPH2O3" +mp-1198188,Li2P(H2O3)2,-5.9439648492,-1.9068737194,0.0601192415,0.0601192415,GGA,P2_1/c,A4B2C6D_mP52_14_4e_2e_6e_e:H-Li-O-P,52.0,A4B2C6D_mP52_14_4e_2e_6e_e:H-Li-O-P +mp-1224499,Li6P6H8O23,-6.4557105921,-2.1568966163,0.1063660191,0.1063660191,GGA,P1,A8B6C23D6_aP43_1_8a_6a_23a_6a:H-Li-O-P,43.0,A8B6C23D6_aP43_1_8a_6a_23a_6a:H-Li-O-P +mp-24610,LiP(HO2)2,-6.4330866819,-2.1962826433,0.0,-0.0206912976,GGA,Pna2_1,A2BC4D_oP32_33_2a_a_4a_a:H-Li-O-P,32.0,"Invalid WP multiplicities - A2BC4D_oP32_33_2a_a_10a_a:H-Li-O-P, expected LiP(HO5)2 to be LiP(HO2)2" +mp-1201206,Li2P(HO)6,-5.7611604751000005,-1.8099846899,0.0261402013,0.0261402013,GGA,Ia-3,A6B2C6D_cI240_206_2e_ad_2e_c:H-Li-O-P,120.0,A6B2C6D_cI240_206_2e_ad_2e_c:H-Li-O-P +mp-1094124,LiPH2,-3.4373785875,0.0895407783,0.3595394007,0.3595394007,GGA,P4/mmm,A2BC_tP4_123_e_a_d:H-Li-P,4.0,A2BC_tP4_123_e_a_d:H-Li-P +mp-733849,Li2P2H2O7,-6.6760864937,-2.3640308156,0.0274988393,0.0274988393,GGA,R-3m,A2B2C7D2_hR234_166_i_fh_3h2i_i:H-Li-O-P,78.0,A2B2C7D2_hR234_166_i_fh_3h2i_i:H-Li-O-P +mp-721067,LiCaP3H8O13,-6.420814279,-2.1283838224,0.0356348635,0.0356348635,GGA,P-1,AB8CD13E3_aP52_2_i_8i_bc_13i_3i:Ca-H-Li-O-P,52.0,AB8CD13E3_aP52_2_i_8i_bc_13i_3i:Ca-H-Li-O-P +mp-642650,LiP(HO)2,-5.6784212158,-1.6782454015,0.0,-0.0268346362,GGA,C2/m,A2BC2D_mC24_12_j_g_2i_i:H-Li-O-P,12.0,A2BC2D_mC24_12_j_g_2i_i:H-Li-O-P +mp-1198271,Li2PH3O4,-5.8868203686000005,-1.9672122466,0.0225310626,0.0225310626,GGA,P2_1/c,A3B2C4D_mP80_14_6e_4e_8e_2e:H-Li-O-P,80.0,A3B2C4D_mP80_14_6e_4e_8e_2e:H-Li-O-P +mp-1200524,H9CN6Cl,-5.6780612794,-0.2880197437,0.1758988087,0.1758988087,GGA,P6_3/m,ABC9D6_hP34_176_a_c_hi_2h:C-Cl-H-N,34.0,ABC9D6_hP34_176_a_c_hi_2h:C-Cl-H-N +mp-707023,H6CN3Cl,-5.6944484366,-0.5632626914000001,0.0,-0.0025086893,GGA,Pbca,ABC6D3_oP88_61_c_c_6c_3c:C-Cl-H-N,88.0,ABC6D3_oP88_61_c_c_6c_3c:C-Cl-H-N +mp-1212696,H9C2N5Cl2,-5.7963135182,-0.5534572218,0.0191209131,0.0191209131,GGA,P2_1/c,A2B2C9D5_mP72_14_2e_2e_9e_5e:C-Cl-H-N,72.0,A2B2C9D5_mP72_14_2e_2e_9e_5e:C-Cl-H-N +mp-1096989,H6CNCl,-4.9327028919,-0.5138080756,0.0653348637,0.0653348637,GGA,Pbcm,ABC6D_oP36_57_d_d_2d2e_d:C-Cl-H-N,36.0,ABC6D_oP36_57_d_d_2d2e_d:C-Cl-H-N +mp-759603,H9CN5Cl2,-5.4646232149,-0.4562262829,0.141638142,0.141638142,GGA,P2_1/c,AB2C9D5_mP68_14_e_2e_9e_5e:C-Cl-H-N,68.0,"Invalid WP multiplicities - AB2C9D5_mP68_14_e_3e_35e_15e:C-Cl-H-N, expected H35C(N5Cl)3 to be H9CN5Cl2" +mp-696231,H4CN5Cl,-6.3411004277,-0.3110476134,0.1142767507,0.1142767507,GGA,Cc,ABC4D5_mC44_9_a_a_4a_5a:C-Cl-H-N,22.0,ABC4D5_mC44_9_a_a_4a_5a:C-Cl-H-N +mp-1213381,H5CN6Cl,-6.2642070556,-0.2596069073,0.1701897096,0.1701897096,GGA,Pna2_1,ABC5D6_oP104_33_2a_2a_10a_12a:C-Cl-H-N,104.0,ABC5D6_oP104_33_2a_2a_10a_12a:C-Cl-H-N +mp-1202436,H14C3NCl5,-4.5470995591,-0.5139108925,0.0517370306,0.0517370306,GGA,Cc,A3B5C14D_mC92_9_3a_5a_14a_a:C-Cl-H-N,46.0,A3B5C14D_mC92_9_3a_5a_14a_a:C-Cl-H-N +mp-698476,H2C3(N2Cl)2,-6.8263330698,-0.3250147436,0.0171436464,0.0171436464,GGA,P2_1/c,A3B2C2D4_mP88_14_6e_4e_4e_8e:C-Cl-H-N,88.0,A3B2C2D4_mP88_14_6e_4e_4e_8e:C-Cl-H-N +mp-600181,LuH24C4N4Cl7,-4.9741331371,-0.7454637899000001,0.0415396873,0.0415396873,GGA,P2,A4B7C24DE4_mP80_3_4e_ad6e_24e_bc_4e:C-Cl-H-Lu-N,80.0,"Invalid WP multiplicities - A4B7C24DE4_mP80_3_6e_ac10e_46e_bd_7e:C-Cl-H-Lu-N, expected LuH46C6N7Cl11 to be LuH24C4N4Cl7" +mp-759161,H21C6N2Cl3,-5.0204114783,-0.3692289867,0.0870145202,0.0870145202,GGA,P2_1,A6B3C21D2_mP64_4_6a_3a_21a_2a:C-Cl-H-N,64.0,"Invalid WP multiplicities - A6B3C21D2_mP64_4_11a_5a_41a_3a:C-Cl-H-N, expected H41C11N3Cl5 to be H21C6N2Cl3" +mp-1212770,HC9N10Cl7,-7.0368101546,-0.2680908455,0.0031733138,0.0031733138,GGA,C2/c,A9B7CD10_mC108_15_e4f_e3f_e_2e4f:C-Cl-H-N,54.0,A9B7CD10_mC108_15_e4f_e3f_e_2e4f:C-Cl-H-N +mp-1203629,H10C3N3Cl,-5.5860234731,-0.3818306282,0.0862747115,0.0862747115,GGA,Fddd,A3BC10D3_oF272_70_eh_f_5h_eh:C-Cl-H-N,68.0,A3BC10D3_oF272_70_eh_f_5h_eh:C-Cl-H-N +mp-570388,H8C2NCl,-5.0883329996,-0.4396520888,0.0477007198,0.0477007198,GGA,P2_1/m,A2BC8D_mP24_11_2e_e_2e3f_e:C-Cl-H-N,24.0,"Invalid WP multiplicities - A2BC8D_mP24_11_4e_e_2e11f_e:C-Cl-H-N, expected H24C4NCl to be H8C2NCl" +mp-697721,H8C2NCl,-5.0606194373,-0.4119385265,0.0754142821,0.0754142821,GGA,Ibam,A2BC8D_oI96_72_k_j_2j3k_j:C-Cl-H-N,48.0,A2BC8D_oI96_72_k_j_2j3k_j:C-Cl-H-N +mp-761870,H7C3N6Cl,-6.5242338029,-0.4476111557,0.0,-0.0066092966,GGA,C2/m,A3BC7D6_mC136_12_3j_2i_7j_6j:C-Cl-H-N,68.0,"Invalid WP multiplicities - A3BC7D6_mC136_12_5j_3i_13j_11j:C-Cl-H-N, expected H26C10N22Cl3 to be H7C3N6Cl" +mp-1205005,H4C2N3Cl,-6.2283938395,-0.3397681795,0.133200061,0.133200061,GGA,P2_1/c,A2BC4D3_mP80_14_4e_2e_8e_6e:C-Cl-H-N,80.0,A2BC4D3_mP80_14_4e_2e_8e_6e:C-Cl-H-N +mp-30150,GaBH6,-3.8512033192,-0.0932228112,0.0,-0.0110939754,GGA,C2/c,ABC6_mC96_15_ef_ef_9f:B-Ga-H,48.0,ABC6_mC96_15_ef_ef_9f:B-Ga-H +mp-1197916,SrGaBO4,-7.3563658623,-2.9015464207,0.0,-0.016213545,GGA,P2_12_12,ABC4D_oP56_18_2c_2c_8c_2c:B-Ga-O-Sr,56.0,ABC4D_oP56_18_2c_2c_8c_2c:B-Ga-O-Sr +mp-554053,SrGaBO4,-7.3545196207,-2.899700179,0.0018462416,-0.0143673034,GGA,Pbam,ABC4D_oP56_55_gh_i_2g2h2i_gh:B-Ga-O-Sr,56.0,"Invalid WP multiplicities - ABC4D_oP56_55_2g3h_i_7g7h10i_2g2h:B-Ga-O-Sr, expected Sr4Ga2B5O34 to be SrGaBO4" +mp-556343,SrGaBO4,-7.3532971477,-2.898477706,0.0030687146,-0.0131448304,GGA,Pccn,ABC4D_oP56_56_e_e_4e_e:B-Ga-O-Sr,56.0,"Invalid WP multiplicities - ABC4D_oP56_56_e_e_24e_e:B-Ga-O-Sr, expected SrGaBO24 to be SrGaBO4" +mp-556046,SrGa2B2O7,-7.4144094304,-2.7701352622,0.0,-0.0008577641,GGA,Cmcm,A2B2C7D_oC48_63_g_g_ce2g_c:B-Ga-O-Sr,24.0,"Invalid WP multiplicities - A2B2C7D_oC48_63_g_g_2c3e5g_c:B-Ga-O-Sr, expected SrGa2(BO9)2 to be SrGa2B2O7" +mp-1218783,Sr3Ga3B4HO14,-7.3340554844,-2.7933873439,0.0133929268,0.0133929268,GGA,P2_1,A4B3CD14E3_mP50_4_4a_3a_a_14a_3a:B-Ga-H-O-Sr,50.0,A4B3CD14E3_mP50_4_4a_3a_a_14a_3a:B-Ga-H-O-Sr +mp-615444,CrPC5Br3O5,-6.8773597917,-0.8372127260000001,0.5405841744000001,0.5405841744000001,GGA+U,P-1,A3B5CD5E_aP30_2_3i_5i_i_5i_i:Br-C-Cr-O-P,30.0,"Invalid WP multiplicities - A3B5CD5E_aP30_2_5i_9i_i_9i_i:Br-C-Cr-O-P, expected CrPC9Br5O9 to be CrPC5Br3O5" +mp-556473,Cr2PBrO4,-8.0188655053,-2.2614679276,0.0,-0.0478981541,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Br-Cr-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_4e_4e_e:Br-Cr-O-P, expected Cr4PBrO4 to be Cr2PBrO4" +mp-1226632,Cr24P11C,-8.6729378317,-0.3271563776,0.0538440238,0.0538440238,GGA,Pmm2,AB24C11_oP36_25_a_abcd5e5f_ce4f:C-Cr-P,36.0,"Invalid WP multiplicities - AB24C11_oP36_25_a_abcd10e10f_c2e8f:C-Cr-P, expected Cr44P21C to be Cr24P11C" +mp-1078492,Cr3PC,-8.964522721,-0.2443006392,0.0349784445,0.0349784445,GGA,Cmcm,AB3C_oC20_63_a_cf_c:C-Cr-P,10.0,AB3C_oC20_63_a_cf_c:C-Cr-P +mp-1188638,CrP4(CO)2,-5.9679527872,0.6605989799,1.6235752037,1.6235752037,GGA+U,C2/c,A2BC2D4_mC36_15_f_e_f_2f:C-Cr-O-P,18.0,A2BC2D4_mC36_15_f_e_f_2f:C-Cr-O-P +mp-505404,Mn2Cu3H24(OF)12,-5.2805223355,-1.6136338861,0.0015191591,0.0015191591,GGA+U,P-1,A3B12C24D2E12_aP53_2_bcd_6i_12i_ah_6i:Cu-F-H-Mn-O,53.0,A3B12C24D2E12_aP53_2_bcd_6i_12i_ah_6i:Cu-F-H-Mn-O +mp-768968,Li4B4Sb2SO16,-7.0015562452,-2.3387884572,0.0941805181,0.0941805181,GGA,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:B-Li-O-S-Sb,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_21h_a_d:B-Li-O-S-Sb, expected Li10B4Sb2SO84 to be Li4B4Sb2SO16" +mp-779809,LiSb(SO4)2,-6.403647381,-1.9132862535,0.0250701509,0.0250701509,GGA,Pc,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Sb,96.0,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Sb +mp-631538,NiBiB,-4.5865581567,0.8467810369000001,1.0101724455,1.0101724455,GGA,F-43m,ABC_cF12_216_a_b_c:B-Bi-Ni,3.0,ABC_cF12_216_a_b_c:B-Bi-Ni +mp-1199032,NiBPO6,-7.2330618446,-1.9493992641,0.2005429783,0.2005429783,GGA+U,P3_121,ABC6D_hP54_152_c_ab_6c_c:B-Ni-O-P,54.0,ABC6D_hP54_152_c_ab_6c_c:B-Ni-O-P +mp-1196616,Ni2BiB(PO5)2,-7.4307173694,-2.2823644702,0.0052774752,0.0052774752,GGA+U,P2_1/m,ABC2D10E2_mP32_11_e_e_f_2e4f_f:B-Bi-Ni-O-P,32.0,ABC2D10E2_mP32_11_e_e_f_2e4f_f:B-Bi-Ni-O-P +mp-559291,Sn2PCO6,-7.2840762372,-2.0499518396,0.0283766569,0.0283766569,GGA,P2_1/c,AB6CD2_mP40_14_e_6e_e_2e:C-O-P-Sn,40.0,"Invalid WP multiplicities - AB6CD2_mP40_14_e_18e_e_4e:C-O-P-Sn, expected Sn4PCO18 to be Sn2PCO6" +mp-768159,LiSnPCO7,-7.2738512705,-2.2568254796,0.0493313978,0.0493313978,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-Sn,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-P-Sn, expected LiSnPCO13 to be LiSnPCO7" +mp-775916,LiSnPCO7,-7.2772092991,-2.2601835082,0.0459733692,0.0459733692,GGA,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Li-O-P-Sn,22.0,"Invalid WP multiplicities - ABC7DE_mP22_11_e_e_9e2f_e_e:C-Li-O-P-Sn, expected LiSnPCO13 to be LiSnPCO7" +mp-2229495,MgCo4OF11,-5.5350603894,-2.2405598845,0.1881976664,0.1881976664,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2228950,MgCo4OF11,-5.5970059947,-2.3025054898,0.1262520611,0.1262520611,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2229305,MgCo4OF11,-5.60545227,-2.3109517651,0.1178057858,0.1178057858,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2229075,MgCo4OF11,-5.5791043447,-2.2846038398,0.1441537111,0.1441537111,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2229628,MgCo4OF11,-5.5862141371,-2.2917136321,0.1370439187,0.1370439187,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2229381,MgCo4OF11,-5.5958454712,-2.3013449662,0.1274125846,0.1274125846,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-2240836,MgCo4OF11,-5.5922133118,-2.2977128068,0.131044744,0.131044744,GGA+U,P1,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O,17.0,A4B11CD_aP17_1_4a_11a_a_a:Co-F-Mg-O +mp-1233284,MgCo6(OF5)2,-6.0328757421,-2.1771729043,0.1832434992,0.1832434992,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O +mp-1233557,MgCo6(OF5)2,-5.94581332,-2.0901104822,0.2703059213,0.2703059213,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B10CD2_mC38_8_6a_4a6b_a_2a:Co-F-Mg-O, expected MgCo6(OF8)2 to be MgCo6(OF5)2" +mp-1233843,MgCo6(OF5)2,-6.0094809026,-2.1537780649,0.2066383387,0.2066383387,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O +mp-1234006,MgCo6(OF5)2,-5.92193549,-2.0662326522,0.2941837513,0.2941837513,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Mg-O +mp-1233477,MgCo6(OF5)2,-5.9857011047,-2.129998267,0.2304181366,0.2304181366,GGA+U,P-1,A6B10CD2_aP19_2_cf2i_5i_a_i:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B10CD2_aP19_2_cf2i_9i_a_i:Co-F-Mg-O, expected MgCo6(OF9)2 to be MgCo6(OF5)2" +mp-2232022,MgCo6O7F5,-6.3684355074,-1.7139932634,0.1834150526,0.1834150526,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230633,MgCo6O7F5,-6.2914550447,-1.6370128007,0.2603955153,0.2603955153,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231787,MgCo6O7F5,-6.3525079479,-1.6980657039,0.1993426121,0.1993426121,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230646,MgCo6O7F5,-6.3083450437,-1.6539027997,0.2435055163,0.2435055163,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230653,MgCo6O7F5,-6.2649390347,-1.6104967907,0.2869115253,0.2869115253,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230684,MgCo6O7F5,-6.3420664484,-1.6876242044,0.2097841116,0.2097841116,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231821,MgCo6O7F5,-6.3181252632,-1.6636830191,0.2337252968,0.2337252968,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230306,MgCo6O7F5,-6.3721902363,-1.7177479923,0.1796603237,0.1796603237,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231869,MgCo6O7F5,-6.3558198468,-1.7013776028,0.1960307132,0.1960307132,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230759,MgCo6O7F5,-6.3129516547,-1.6585094107,0.2388989053,0.2388989053,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230471,MgCo6O7F5,-6.2967805837,-1.6423383397,0.2550699763,0.2550699763,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231627,MgCo6O7F5,-6.3001330721,-1.6456908281,0.2517174879,0.2517174879,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230225,MgCo6O7F5,-6.3517989037,-1.6973566597,0.2000516563,0.2000516563,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231932,MgCo6O7F5,-6.3314321626,-1.6769899186,0.2204183974,0.2204183974,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231077,MgCo6O7F5,-6.3223879732,-1.6679457291,0.2294625868,0.2294625868,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230214,MgCo6O7F5,-6.3420984353,-1.6876561912,0.2097521247,0.2097521247,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231967,MgCo6O7F5,-6.35667375,-1.702231506,0.19517681,0.19517681,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2232014,MgCo6O7F5,-6.3184071958,-1.6639649518,0.2334433642,0.2334433642,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2232026,MgCo6O7F5,-6.3209880405,-1.6665457965,0.2308625195,0.2308625195,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2231176,MgCo6O7F5,-6.3382170411,-1.683774797,0.2136335189,0.2136335189,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2232050,MgCo6O7F5,-6.2966780295,-1.6422357855,0.2551725305,0.2551725305,GGA+U,P1,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O,19.0,A6B5CD7_aP19_1_6a_5a_a_7a:Co-F-Mg-O +mp-2230255,MgCo6O7F5,-6.3146310216,-1.6601887776000002,0.2372195384,0.2372195384,GGA+U,Pm,A6B5CD7_mP19_6_ab2c_a2c_a_a2b2c:Co-F-Mg-O,19.0,A6B5CD7_mP19_6_ab2c_a2c_a_a2b2c:Co-F-Mg-O +mp-2230421,MgCo6O7F5,-6.3014942932,-1.6470520491,0.2503562668,0.2503562668,GGA+U,Cm,A6B5CD7_mC38_8_6a_5a_a_a3b:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B5CD7_mC38_8_6a_5a_a_a5b:Co-F-Mg-O, expected MgCo6O11F5 to be MgCo6O7F5" +mp-2228398,MgCo6(O3F)3,-6.4345163932,-1.4605783866,0.2363057468,0.2363057468,GGA+U,P1,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O,19.0,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O +mp-2228436,MgCo6(O3F)3,-6.4954782832,-1.5215402766,0.1753438568,0.1753438568,GGA+U,P1,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O,19.0,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O +mp-2228353,MgCo6(O3F)3,-6.4895099021,-1.5155718956,0.1813122379,0.1813122379,GGA+U,P1,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O,19.0,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O +mp-2228407,MgCo6(O3F)3,-6.4687615063,-1.4948234998,0.2020606337,0.2020606337,GGA+U,P1,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O,19.0,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O +mp-2228433,MgCo6(O3F)3,-6.4341052616,-1.4601672551,0.2367168784,0.2367168784,GGA+U,P1,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O,19.0,A6B3CD9_aP19_1_6a_3a_a_9a:Co-F-Mg-O +mp-2228875,MgCo6(O3F)3,-6.3960231474,-1.4220851409,0.2747989926,0.2747989926,GGA+U,Amm2,A6B3CD9_oC38_38_ab2c_ac_b_acef:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B3CD9_oC38_38_ab2c_ac_b_ace2f:Co-F-Mg-O, expected MgCo6O13F3 to be MgCo6(O3F)3" +mp-2230133,MgCo6(OF)6,-6.1830178089,-1.6883234462,0.3093469611,0.3093469611,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2230312,MgCo6(OF)6,-6.2592220347,-1.764527672,0.2331427353,0.2331427353,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2231755,MgCo6(OF)6,-6.2793579889,-1.7846636262,0.2130067811,0.2130067811,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2230572,MgCo6(OF)6,-6.2275902332,-1.7328958704,0.2647745368,0.2647745368,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2230790,MgCo6(OF)6,-6.2100809784,-1.7153866157,0.2822837916,0.2822837916,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2230129,MgCo6(OF)6,-6.2799421458,-1.785247783,0.2124226242,0.2124226242,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2229987,MgCo6(OF)6,-6.2175680316,-1.7228736688,0.2747967384,0.2747967384,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:Co-F-Mg-O +mp-2228429,MgCo6(OF)6,-6.2320414953,-1.7373471325,0.2603232747,0.2603232747,GGA+U,Pm,A6B6CD6_mP19_6_ab2c_ab2c_a_ab2c:Co-F-Mg-O,19.0,A6B6CD6_mP19_6_ab2c_ab2c_a_ab2c:Co-F-Mg-O +mp-2230279,MgCo6(OF)6,-6.3180827958,-1.823388433,0.1742819742,0.1742819742,GGA+U,P2/m,A6B6CD6_mP19_10_cemn_2mn_a_m2n:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B6CD6_mP19_10_ae2mn_4mn_c_2m3n:Co-F-Mg-O, expected MgCo8(OF)10 to be MgCo6(OF)6" +mp-2231143,MgCo6(OF)6,-6.3076250647,-1.812930702,0.1847397053,0.1847397053,GGA+U,P2/m,A6B6CD6_mP19_10_bcmn_m2n_d_2mn:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B6CD6_mP19_10_bc2mn_4mn_e_2m3n:Co-F-Mg-O, expected MgCo8(OF)10 to be MgCo6(OF)6" +mp-2219975,MgCo4(O3F)2,-6.4616978923,-1.574263936,0.2600388192,0.2600388192,GGA+U,P1,A4B2CD6_aP13_1_4a_2a_a_6a:Co-F-Mg-O,13.0,A4B2CD6_aP13_1_4a_2a_a_6a:Co-F-Mg-O +mp-2219519,MgCo4(O3F)2,-6.4321370831,-1.5447031267,0.2895996285,0.2895996285,GGA+U,Cm,A4B2CD6_mC26_8_4a_2a_a_2a2b:Co-F-Mg-O,13.0,"Invalid WP multiplicities - A4B2CD6_mC26_8_4a_2a_a_2a4b:Co-F-Mg-O, expected MgCo4(O5F)2 to be MgCo4(O3F)2" +mp-2231239,MgCo6(O5F)2,-6.4782121058,-1.344526218,0.2520958242,0.2520958242,GGA+U,P2,A6B2CD10_mP19_3_bc2e_e_a_5e:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B2CD10_mP19_10_ae2mn_m_c_4m5n:Co-F-Mg-O, expected MgCo8(O9F)2 to be MgCo6(O5F)2" +mp-2230537,MgCo6(O5F)2,-6.5094032189,-1.3757173312,0.2209047111,0.2209047111,GGA+U,Pm,A6B2CD10_mP19_6_3a3b_2a_b_4a6b:Co-F-Mg-O,19.0,A6B2CD10_mP19_6_3a3b_2a_b_4a6b:Co-F-Mg-O +mp-2230943,MgCo6(O5F)2,-6.5039440489,-1.3702581612,0.2263638811,0.2263638811,GGA+U,Pm,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O,19.0,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O +mp-2230256,MgCo6(O5F)2,-6.5259896689,-1.3923037812,0.2043182611,0.2043182611,GGA+U,Pm,A6B2CD10_mP19_6_3a3b_2a_b_4a6b:Co-F-Mg-O,19.0,A6B2CD10_mP19_6_3a3b_2a_b_4a6b:Co-F-Mg-O +mp-2231136,MgCo6(O5F)2,-6.5077978916,-1.3741120038,0.2225100384,0.2225100384,GGA+U,Pm,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O,19.0,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O +mp-2230866,MgCo6(O5F)2,-6.5010125084,-1.3673266207,0.2292954216,0.2292954216,GGA+U,Pm,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O,19.0,A6B2CD10_mP19_6_3a3b_ab_a_5a5b:Co-F-Mg-O +mp-2230187,MgCo6(O5F)2,-6.5073538221,-1.3736679343,0.2229541079,0.2229541079,GGA+U,P2/m,A6B2CD10_mP19_10_cemn_n_a_3m2n:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B2CD10_mP19_10_aem2n_n_c_5m4n:Co-F-Mg-O, expected MgCo8(O9F)2 to be MgCo6(O5F)2" +mp-1213796,Co2PO4F,-7.36354103,-2.1975195414,0.0007788772,0.0007788772,GGA+U,C2/c,A2BC4D_mC64_15_2f_f_4f_f:Co-F-O-P,32.0,A2BC4D_mC64_15_2f_f_4f_f:Co-F-O-P +mp-2232180,MgCo2P2(O4F)2,-7.0310370427,-2.3617044908,0.0808739913,0.0808739913,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Co-F-Mg-O-P,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Co-F-Mg-O-P +mp-2232474,MgCo2P2(O4F)2,-7.0405942127,-2.3712616608,0.0713168213,0.0713168213,GGA+U,P-1,A2B2CD8E2_aP15_2_cf_i_a_4i_i:Co-F-Mg-O-P,15.0,"Invalid WP multiplicities - A2B2CD8E2_aP15_2_cf_i_a_8i_i:Co-F-Mg-O-P, expected MgCo2P2(O8F)2 to be MgCo2P2(O4F)2" +mp-25444,CoPO4F,-6.8309647557,-1.942414168,0.0991922432,0.0991922432,GGA+U,P-1,ABC4D_aP14_2_ab_i_4i_i:Co-F-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_ab_i_8i_i:Co-F-O-P, expected CoPO8F to be CoPO4F" +mp-2218425,MgCo4(OF)4,-6.2390964654,-1.8186178542,0.3087587062,0.3087587062,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:Co-F-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:Co-F-Mg-O +mp-6095,Mg2PO4F,-7.0110466514,-3.222034599,0.0,-0.0126792245,GGA,P2_1/c,AB2C4D_mP128_14_4e_8e_16e_4e:F-Mg-O-P,128.0,"Invalid WP multiplicities - AB2C4D_mP128_14_4e_10e_21e_4e:F-Mg-O-P, expected Mg10P4O21F4 to be Mg2PO4F" +mp-1203442,CoP4F12,-5.5535602641,-2.5124264152,0.0466456072,0.0466456072,GGA+U,C2/c,AB12C4_mC68_15_e_6f_2f:Co-F-P,34.0,AB12C4_mC68_15_e_6f_2f:Co-F-P +mp-2231482,MgCo6(O2F)4,-6.4153901989,-1.6012000737,0.1959461511,0.1959461511,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2232085,MgCo6(O2F)4,-6.3387950963,-1.5246049711,0.2725412537,0.2725412537,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2230084,MgCo6(O2F)4,-6.4188745158,-1.6046843905,0.1924618342,0.1924618342,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231156,MgCo6(O2F)4,-6.4080380442,-1.5938479189,0.2032983058,0.2032983058,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231527,MgCo6(O2F)4,-6.4085440995,-1.5943539742,0.2027922505,0.2027922505,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231292,MgCo6(O2F)4,-6.3860651463,-1.5718750211,0.2252712037,0.2252712037,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231930,MgCo6(O2F)4,-6.4198174774,-1.6056273521,0.1915188726,0.1915188726,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231382,MgCo6(O2F)4,-6.4049036616,-1.5907135363,0.2064326884,0.2064326884,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2230259,MgCo6(O2F)4,-6.3890704116,-1.5748802863,0.2222659384,0.2222659384,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231445,MgCo6(O2F)4,-6.3876577989,-1.5734676737000002,0.2236785511,0.2236785511,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2231182,MgCo6(O2F)4,-6.3749314963,-1.5607413711,0.2364048537,0.2364048537,GGA+U,P1,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O,19.0,A6B4CD8_aP19_1_6a_4a_a_8a:Co-F-Mg-O +mp-2230668,MgCo6(O2F)4,-6.3780027011,-1.5638125758,0.2333336489,0.2333336489,GGA+U,P-1,A6B4CD8_aP19_2_be2i_2i_c_4i:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B4CD8_aP19_2_be4i_3i_c_8i:Co-F-Mg-O, expected MgCo10(O8F3)2 to be MgCo6(O2F)4" +mp-2231802,MgCo6(O2F)4,-6.3257475684,-1.5115574432,0.2855887816,0.2855887816,GGA+U,Cm,A6B4CD8_mC38_8_6a_4a_a_2a3b:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B4CD8_mC38_8_6a_4a_a_2a5b:Co-F-Mg-O, expected MgCo6(O3F)4 to be MgCo6(O2F)4" +mp-2230588,MgCo6(O2F)4,-6.3649010095000005,-1.5507108842,0.2464353405,0.2464353405,GGA+U,Cm,A6B4CD8_mC38_8_6a_4a_a_2a3b:Co-F-Mg-O,19.0,"Invalid WP multiplicities - A6B4CD8_mC38_8_6a_4a_a_2a5b:Co-F-Mg-O, expected MgCo6(O3F)4 to be MgCo6(O2F)4" +mp-759932,Ti3Cu2P6WO24,-8.1030099208,-2.6573609283,0.0627271867,0.0627271867,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Cu-O-P-Ti-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Cu-O-P-Ti-W, expected Ti3Cu2P6WO60 to be Ti3Cu2P6WO24" +mp-19883,FeSnF6,-5.60585953,-2.6123011713,0.0843346423,0.0843346423,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Fe-Sn,8.0,A6BC_hR24_148_f_a_b:F-Fe-Sn +mp-505108,FeSnH12(OF)6,-5.3720475611000005,-1.7435355735,0.0,-0.0176613059,GGA+U,R-3,A6BC12D6E_hR78_148_f_a_2f_f_b:F-Fe-H-O-Sn,104.0,A6BC12D6E_hR78_148_f_a_2f_f_b:F-Fe-H-O-Sn +mp-753012,LiVTe(WO6)2,-7.8599390353,-2.0121355162,0.0503055448,0.0503055448,GGA+U,P1,AB12CDE2_aP17_1_a_12a_a_a_2a:Li-O-Te-V-W,17.0,AB12CDE2_aP17_1_a_12a_a_a_2a:Li-O-Te-V-W +mp-775927,Li4VTe(WO6)2,-7.4477233512,-2.19075193,0.057561617,0.057561617,GGA+U,P1,A4B12CDE2_aP20_1_4a_12a_a_a_2a:Li-O-Te-V-W,40.0,"Invalid WP multiplicities - A4B12CDE2_aP20_1_4a_12a_a_a_3a:Li-O-Te-V-W, expected Li4VTe(WO4)3 to be Li4VTe(WO6)2" +mp-756572,LiVTe2WO12,-7.0681375488,-1.7976766377,0.0649574909,0.0649574909,GGA+U,P1,AB12C2DE_aP17_1_a_12a_2a_a_a:Li-O-Te-V-W,17.0,AB12C2DE_aP17_1_a_12a_2a_a_a:Li-O-Te-V-W +mp-6755,KSn4(PO4)3,-7.0033249275,-2.3658820064,0.0,-0.0245237942,GGA,R3c,AB12C3D4_hR120_161_a_4b_b_ab:K-O-P-Sn,40.0,"Invalid WP multiplicities - AB12C3D4_hR120_161_a_10b_b_ab:K-O-P-Sn, expected KSn4(PO10)3 to be KSn4(PO4)3" +mp-554825,K2SnP2O7,-6.857507845,-2.5505248666,0.0,-0.0162009555,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:K-O-P-Sn,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_6e_28e_4e_e:K-O-P-Sn, expected K6Sn(PO7)4 to be K2SnP2O7" +mp-541459,KSnPO5,-6.9151880942,-2.5068484861,0.0,-0.0343122936,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:K-O-P-Sn,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_6a_40a_5a_3a:K-O-P-Sn, expected K6Sn3(PO8)5 to be KSnPO5" +mp-532656,K2FeSn(PO4)3,-7.2740107049,-2.5213494936,0.0037215885,0.0037215885,GGA+U,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Fe-K-O-P-Sn,76.0,"Invalid WP multiplicities - AB2C12D3E_cP76_198_a_5a_37b_b_a:Fe-K-O-P-Sn, expected K5FeSn(PO37)3 to be K2FeSn(PO4)3" +mp-1180718,KSn2(PO4)3,-7.2566896164,-2.5494832435,0.0,-0.0309581359,GGA,R-3,AB12C3D2_hR108_148_ab_4f_f_2c:K-O-P-Sn,36.0,AB12C3D2_hR108_148_ab_4f_f_2c:K-O-P-Sn +mp-1199326,SrH4Ir(OF3)2,-5.3578263379,-2.1106061207,0.0640531914,0.0640531914,GGA,P2_1/c,A6B4CD2E_mP56_14_6e_4e_e_2e_e:F-H-Ir-O-Sr,56.0,A6B4CD2E_mP56_14_6e_4e_e_2e_e:F-H-Ir-O-Sr +mp-1238063,SrH4Ir(OF3)2,-5.0613457546,-1.8141255374,0.3605337746,0.3605337746,GGA,P2_1/c,A6B4CD2E_mP56_14_6e_4e_e_2e_e:F-H-Ir-O-Sr,56.0,A6B4CD2E_mP56_14_6e_4e_e_2e_e:F-H-Ir-O-Sr +mp-1004528,CsB3PbF12,-5.9411215224,-3.1420643244,0.0,-0.0329981741,GGA,Cm,A3BC12D_mC34_8_ab_a_2a5b_a:B-Cs-F-Pb,17.0,"Invalid WP multiplicities - A3BC12D_mC34_8_ab_a_2a9b_a:B-Cs-F-Pb, expected CsB3PbF20 to be CsB3PbF12" +mp-1004530,CsBPb(IF2)2,-4.8975723978,-2.4664513108,0.0638583389,0.0638583389,GGA,C2,ABC4D2E_mC18_5_a_a_2c_c_b:B-Cs-F-I-Pb,9.0,ABC4D2E_mC18_5_a_a_2c_c_b:B-Cs-F-I-Pb +mp-1069723,U(CuAs)2,-6.130401554,-0.368789522,0.026666958,0.026666958,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Cu-U,5.0,A2B2C_hP5_164_d_d_a:As-Cu-U +mp-768283,UAs2H6O11,-6.6258934655,-1.8569145198,0.002153828,0.002153828,GGA,C2/c,A2B6C11D_mC80_15_f_3f_e5f_e:As-H-O-U,40.0,"Invalid WP multiplicities - A2B6C11D_mC80_15_f_9f_2e19f_e:As-H-O-U, expected UAs2(H9O20)2 to be UAs2H6O11" +mp-28687,U2Cu4As5,-6.0250906327,-0.3637052941,0.0,-0.0041994032,GGA,I4/mmm,A5B4C2_tI22_139_ade_g_e:As-Cu-U,11.0,A5B4C2_tI22_139_ade_g_e:As-Cu-U +mp-572929,U2Cu2As3O,-7.2692189831,-1.0560593223,0.0180484594,0.0180484594,GGA,P4/nmm,A3B2CD2_tP16_129_a2c_f_b_2c:As-Cu-O-U,16.0,"Invalid WP multiplicities - A3B2CD2_tP16_129_a3c_f_b_3c:As-Cu-O-U, expected U3Cu2As4O to be U2Cu2As3O" +mp-707182,UAsH9O10,-6.357214922,-1.788074449,0.0,-0.010269761,GGA,P-1,AB9C10D_aP84_2_2i_18i_20i_2i:As-H-O-U,84.0,AB9C10D_aP84_2_2i_18i_20i_2i:As-H-O-U +mp-698483,U2CuAs2(HO)24,-6.1199788025,-1.6643897902,0.0113000982,0.0113000982,GGA,P4/nnc,A2BC24D24E2_tP106_126_d_a_3k_2ei2k_e:As-Cu-H-O-U,106.0,A2BC24D24E2_tP106_126_d_a_3k_2ei2k_e:As-Cu-H-O-U +mp-510226,U2CuAs2(H4O5)4,-6.4059651289,-1.7909003863,0.0,-0.0075618582,GGA,P4/n,A2BC16D20E2_tP82_85_ab_c_4g_4c4g_2c:As-Cu-H-O-U,82.0,A2BC16D20E2_tP82_85_ab_c_4g_4c4g_2c:As-Cu-H-O-U +mp-19902,UCuAs2,-6.662077325,-0.4848639525,0.0094566475,0.0094566475,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-U,8.0,A2BC_tP8_129_ac_b_c:As-Cu-U +mp-1179628,UCuAs2,-6.311842805,-0.1346294325,0.3596911675,0.3596911675,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Cu-U,8.0,A2BC_tP8_129_ac_b_c:As-Cu-U +mp-1191137,HSeNO4,-5.760613061,-0.7589148763,0.2364429889,0.2364429889,GGA,P1,ABC4D_aP21_1_3a_3a_12a_3a:H-N-O-Se,21.0,ABC4D_aP21_1_3a_3a_12a_3a:H-N-O-Se +mp-696797,HSeNO4,-4.9567506975,0.0449474872,1.0403053524,1.0403053524,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:H-N-O-Se,28.0,ABC4D_oP28_19_a_a_4a_a:H-N-O-Se +mp-696482,H2SeNO4,-5.4889532783,-0.6883766111,0.3593636115,0.3593636115,GGA,C2,A2BC4D_mC48_5_3c_ac_6c_ac:H-N-O-Se,24.0,A2BC4D_mC48_5_3c_ac_6c_ac:H-N-O-Se +mp-1225464,H13Se2N3O8,-5.3615961452,-0.9123555296,0.1491361966,0.1491361966,GGA,P1,A13B3C8D2_aP52_1_26a_6a_16a_4a:H-N-O-Se,52.0,A13B3C8D2_aP52_1_26a_6a_16a_4a:H-N-O-Se +mp-697645,H13Se2N3O8,-5.3587734319,-0.9095328163,0.1519589098,0.1519589098,GGA,Cc,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se,52.0,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se +mp-708034,H13Se2N3O8,-5.276295746,-0.8270551304,0.2344365958,0.2344365958,GGA,Cc,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se,52.0,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se +mp-1181831,H13Se2N3O8,-5.1677583231,-0.7185177075,0.3429740187,0.3429740187,GGA,Cc,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se,52.0,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-Se +mp-707274,H13Se2N3O8,-5.3581209896,-0.908880374,0.1526113521,0.1526113521,GGA,C2/c,A13B3C8D2_mC104_15_e6f_ef_4f_f:H-N-O-Se,52.0,A13B3C8D2_mC104_15_e6f_ef_4f_f:H-N-O-Se +mp-1202649,H3Se2NO6,-5.1270032792,-0.5281175889,0.5747645708,0.5747645708,GGA,P2_12_12_1,A3BC6D2_oP48_19_3a_a_6a_2a:H-N-O-Se,48.0,A3BC6D2_oP48_19_3a_a_6a_2a:H-N-O-Se +mp-695941,Ag3H13SeN4O5,-5.0340887185,-0.6426102058000001,0.1886563786,0.1886563786,GGA,P2_12_12_1,A3B13C4D5E_oP104_19_3a_13a_4a_5a_a:Ag-H-N-O-Se,104.0,A3B13C4D5E_oP104_19_3a_13a_4a_5a_a:Ag-H-N-O-Se +mp-1224688,H5SeNO4,-5.3713788127,-0.9547614061,0.1556146517,0.1556146517,GGA,P1,A5BC4D_aP33_1_15a_3a_12a_3a:H-N-O-Se,33.0,A5BC4D_aP33_1_15a_3a_12a_3a:H-N-O-Se +mp-1212575,H5SeNO4,-5.3703203012,-0.9537028946,0.1566731632,0.1566731632,GGA,C2,A5BC4D_mC66_5_b7c_ac_6c_ac:H-N-O-Se,33.0,A5BC4D_mC66_5_b7c_ac_6c_ac:H-N-O-Se +mp-24354,H7Se2NO6,-5.3598988009,-1.062553022,0.049496125,0.049496125,GGA,P2_12_12_1,A7BC6D2_oP64_19_7a_a_6a_2a:H-N-O-Se,64.0,A7BC6D2_oP64_19_7a_a_6a_2a:H-N-O-Se +mp-1188504,H5SeNO3,-5.318975426,-0.9553651499,0.0927997482,0.0927997482,GGA,P-1,A5BC3D_aP20_2_5i_i_3i_i:H-N-O-Se,20.0,A5BC3D_aP20_2_5i_i_3i_i:H-N-O-Se +mp-729891,H18Se3(NO3)4,-1.9921479538,2.4473938699,3.5234187758,3.5234187758,GGA,P-1,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se,74.0,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se +mp-708038,H18Se3(NO3)4,-5.0575745499,-0.6180327261,0.4579921797,0.4579921797,GGA,P-1,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se,74.0,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se +mp-1182066,H18Se3(NO3)4,-5.1517662319,-0.7122244082,0.3638004977,0.3638004977,GGA,P-1,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se,74.0,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se +mp-1197142,H18Se3(NO3)4,-5.3663240712,-0.9267822475,0.1492426584,0.1492426584,GGA,P-1,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se,74.0,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se +mp-1351012,H18Se3(NO3)4,-3.7658407641,0.6737010597,1.7497259655,1.7497259655,GGA,P-1,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se,74.0,A18B4C12D3_aP74_2_18i_4i_12i_3i:H-N-O-Se +mp-23745,H8Se(NO2)2,-5.3486799153,-0.8755156132,0.1501276032,0.1501276032,GGA,C2/m,A8B2C4D_mC60_12_4i2j_2i_2ij_i:H-N-O-Se,30.0,A8B2C4D_mC60_12_4i2j_2i_2ij_i:H-N-O-Se +mp-707226,H8Se2N2O5,-5.3584484138,-0.9149151949,0.0919751521,0.0919751521,GGA,P2_12_12_1,A8B2C5D2_oP68_19_8a_2a_5a_2a:H-N-O-Se,68.0,A8B2C5D2_oP68_19_8a_2a_5a_2a:H-N-O-Se +mp-722865,H8Se2N2O5,-5.3596438234,-0.9161106045,0.0907797426,0.0907797426,GGA,P2_12_12_1,A8B2C5D2_oP68_19_8a_2a_5a_2a:H-N-O-Se,68.0,A8B2C5D2_oP68_19_8a_2a_5a_2a:H-N-O-Se +mp-1238354,H14Se2N3O8,-5.2541297483000005,-0.8440193020000001,0.2173000344,0.2173000344,GGA,P-1,A14B3C8D2_aP54_2_14i_3i_8i_2i:H-N-O-Se,54.0,A14B3C8D2_aP54_2_14i_3i_8i_2i:H-N-O-Se +mp-1209540,SrU2As2(H2O3)4,-5.9768349924,-1.1731300653,1.0183990764,1.0183990764,GGA,Pc,A2B8C12DE2_mP50_7_2a_8a_12a_a_2a:As-H-O-Sr-U,50.0,A2B8C12DE2_mP50_7_2a_8a_12a_a_2a:As-H-O-Sr-U +mp-1197735,SrU2(AsO10)2,-6.5267992472,-1.2258262669,0.7345825214,0.7345825214,GGA,Pc,A2B20CD2_mP50_7_2a_20a_a_2a:As-O-Sr-U,50.0,A2B20CD2_mP50_7_2a_20a_a_2a:As-O-Sr-U +mp-1198396,SrU2(AsO10)2,-6.7770656608,-1.4760926805,0.4843161078,0.4843161078,GGA,P2/c,A2B20CD2_mP50_13_g_10g_e_g:As-O-Sr-U,50.0,A2B20CD2_mP50_13_g_10g_e_g:As-O-Sr-U +mp-1189261,Cr5B2P,-8.8533066006,-0.4736411758,0.0,-0.0390975409,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Cr-P,16.0,A2B5C_tI32_140_h_cl_a:B-Cr-P +mp-1020022,Li3B(PO4)2,-7.2319646775,-2.7458021722,0.0131996221,0.0131996221,GGA,P-1,AB3C8D2_aP28_2_i_3i_8i_2i:B-Li-O-P,28.0,AB3C8D2_aP28_2_i_3i_8i_2i:B-Li-O-P +mp-1020015,Li2B3PO8,-7.7109061506,-2.793560919,0.0,-0.0028239984,GGA,P-1,A3B2C8D_aP112_2_12i_8i_32i_4i:B-Li-O-P,112.0,A3B2C8D_aP112_2_12i_8i_32i_4i:B-Li-O-P +mp-1226178,Cr12BP3,-8.9733667181,-0.3011249099,0.0295487677,0.0295487677,GGA,P1,AB12C3_aP16_1_a_12a_3a:B-Cr-P,16.0,AB12C3_aP16_1_a_12a_3a:B-Cr-P +mp-559723,Cr2B(PO4)3,-8.2919223931,-2.6482746838,0.0051444508,0.0051444508,GGA+U,P6_3/m,AB2C12D3_hP36_176_a_f_2hi_h:B-Cr-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hP36_176_a_f_7h6i_h:B-Cr-O-P, expected Cr2B(PO19)3 to be Cr2B(PO4)3" +mp-768576,Li3CrBPO7,-7.4032133642,-2.6263417238,0.0765413085,0.0765413085,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Cr-Li-O-P, expected Li4CrBPO13 to be Li3CrBPO7" +mp-601334,K2Cr4Co(HO4)4,-6.8619216111,-1.6523205323,0.0133847144,0.0133847144,GGA+U,P-1,AB4C4D2E16_aP27_2_a_2i_2i_i_8i:Co-Cr-H-K-O,27.0,"Invalid WP multiplicities - AB4C4D2E16_aP27_2_a_2i_2i_i_14i:Co-Cr-H-K-O, expected K2Cr4Co(HO7)4 to be K2Cr4Co(HO4)4" +mp-504994,K3Cr(HO)6,-5.5663743862,-1.6275785832,0.0052259862,0.0052259862,GGA+U,R-3c,AB6C3D6_hR96_167_b_f_e_f:Cr-H-K-O,32.0,AB6C3D6_hR96_167_b_f_e_f:Cr-H-K-O +mp-1147554,LiLaSO,-6.7618834125,-2.7798662751,0.0084565937,0.0084565937,GGA,P4/nmm,ABCD_tP8_129_c_a_b_c:La-Li-O-S,8.0,ABCD_tP8_129_c_a_b_c:La-Li-O-S +mp-1223425,La6S3(OF4)2,-7.4486392713,-3.911239198,0.0,-0.0006052001,GGA,Pm,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-La-O-S,38.0,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-La-O-S +mp-1207269,La2S2F,-5.036141518,-1.0248629358,1.993400676,1.993400676,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-La-S,5.0,AB2C2_tP5_123_a_g_g:F-La-S +mp-5394,LaSF,-7.0820123433,-3.4207003635,0.0,-0.0384126796,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-La-S,6.0,ABC_tP6_129_a_c_c:F-La-S +mp-557969,LiLa2S2O8F3,-7.1156071763,-3.0304957136,0.0100226792,0.0100226792,GGA,C2/c,A3B2CD8E2_mC64_15_ef_f_e_4f_f:F-La-Li-O-S,32.0,"Invalid WP multiplicities - A3B2CD8E2_mC64_15_ef_f_e_11f_f:F-La-Li-O-S, expected LiLa2S2O22F3 to be LiLa2S2O8F3" +mp-1246902,CuGe7N10,-6.6792412753,-0.0222773361,0.2025610468,0.2025610468,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Cu-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Cu-Ge-N +mp-608239,Cu8Ge5C4(S2N)8,-5.5173033061,-0.012459114,0.3919259997,0.3919259997,GGA,P4_2/mmc,A4B8C5D8E16_tP82_131_p_r_ejl_r_ik2oq:C-Cu-Ge-N-S,82.0,"Invalid WP multiplicities - A4B8C5D8E16_tP82_131_p_r_e4j4l_r_4i4k15o7q:C-Cu-Ge-N-S, expected Cu8Ge17C4(S13N)8 to be Cu8Ge5C4(S2N)8" +mp-1245827,Ge2SN2,-5.669844894,0.3412541914,0.7138992424,0.7138992424,GGA,Cm,A2B2C_mC20_8_2b_2b_2a:Ge-N-S,10.0,A2B2C_mC20_8_2b_2b_2a:Ge-N-S +mp-1103616,CuC2(SN3)2,-5.6145624655,1.7352927108,1.8558570005,1.8558570005,GGA,C2/m,A2BC6D2_mC22_12_i_a_ij_i:C-Cu-N-S,11.0,A2BC6D2_mC22_12_i_a_ij_i:C-Cu-N-S +mp-1245520,CuGeN2,-6.2502377075,0.0985683863,0.2431073467,0.2431073467,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cu-Ge-N,16.0,ABC2_oP16_33_a_a_2a:Cu-Ge-N +mp-1245456,CuGeN2,-6.2191672011,0.1296388927,0.2741778531,0.2741778531,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cu-Ge-N,64.0,ABC2_oP64_61_2c_2c_4c:Cu-Ge-N +mp-1246654,CuGeN2,-5.8098605725,0.5389455212,0.6834844817,0.6834844817,GGA,Cmcm,ABC2_oC16_63_a_c_f:Cu-Ge-N,8.0,ABC2_oC16_63_a_c_f:Cu-Ge-N +mp-734141,CuC2(SN2)2,-6.0868872453,1.0437146535,1.1910710076,1.1910710076,GGA,Pna2_1,A2BC4D2_oP36_33_2a_a_4a_2a:C-Cu-N-S,36.0,A2BC4D2_oP36_33_2a_a_4a_2a:C-Cu-N-S +mp-1197218,CuC2(SN2)2,-6.0924256633,1.0381762354,1.1855325896,1.1855325896,GGA,Pnma,A2BC4D2_oP36_62_2c_c_4c_2c:C-Cu-N-S,36.0,A2BC4D2_oP36_62_2c_c_4c_2c:C-Cu-N-S +mp-1246877,CuGe2N3,-6.4895818142,-0.097123955,0.0955946589,0.0955946589,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Cu-Ge-N,12.0,AB2C3_oC24_36_a_b_ab:Cu-Ge-N +mp-553972,CuCSN,-6.4961555625,-0.0459513239,0.1766672202,0.1766672202,GGA,Pbca,ABCD_oP32_61_c_c_c_c:C-Cu-N-S,32.0,ABCD_oP32_61_c_c_c_c:C-Cu-N-S +mp-672285,CuCSN,-6.5098710525,-0.0596668139,0.1629517302,0.1629517302,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Cu-N-S,4.0,ABCD_hR12_160_a_a_a_a:C-Cu-N-S +mp-559044,CuCSN,-6.5099819337,-0.0597776952,0.162840849,0.162840849,GGA,P6_3mc,ABCD_hP8_186_b_b_b_b:C-Cu-N-S,8.0,ABCD_hP8_186_b_b_b_b:C-Cu-N-S +mp-1094092,NaPH6,-3.4026679575,-0.0161449487,0.0789908003,0.0789908003,GGA,Fm-3m,A6BC_cF32_225_e_a_b:H-Na-P,8.0,A6BC_cF32_225_e_a_b:H-Na-P +mp-697367,NaP(HO2)2,-6.2816799753,-2.1181756334,0.0319212709,0.0259061895,GGA,P-1,A2BC4D_aP32_2_4i_2i_8i_2i:H-Na-O-P,32.0,A2BC4D_aP32_2_4i_2i_8i_2i:H-Na-O-P +mp-24109,NaP(HO2)2,-6.3136012462,-2.1500969044,0.0,-0.0060150814,GGA,P2_1/c,A2BC4D_mP64_14_4e_2e_8e_2e:H-Na-O-P,64.0,"Invalid WP multiplicities - A2BC4D_mP64_14_4e_2e_12e_2e:H-Na-O-P, expected NaP(HO3)2 to be NaP(HO2)2" +mp-504944,NaP(HO2)2,-6.2817293019000005,-2.11822496,0.0318719444,0.025856863,GGA,P2_1/c,A2BC4D_mP64_14_4e_2e_8e_2e:H-Na-O-P,64.0,A2BC4D_mP64_14_4e_2e_8e_2e:H-Na-O-P +mp-721144,Na4P2H20O17,-5.2277058321,-1.3192189675,0.3652134599,0.3652134599,GGA,C2/c,A20B4C17D2_mC172_15_10f_2f_e8f_f:H-Na-O-P,86.0,A20B4C17D2_mC172_15_10f_2f_e8f_f:H-Na-O-P +mp-556699,Na2PHO3,-5.9181242221,-2.1622463261,0.0,-0.0376181263,GGA,P2_1/c,AB2C3D_mP28_14_e_2e_3e_e:H-Na-O-P,28.0,"Invalid WP multiplicities - AB2C3D_mP28_14_e_5e_11e_e:H-Na-O-P, expected Na5PHO11 to be Na2PHO3" +mp-698223,Na2PH5O6,-5.7735654474,-1.866271477,0.0337208113,0.0337208113,GGA,Pbca,A5B2C6D_oP112_61_5c_2c_6c_c:H-Na-O-P,112.0,A5B2C6D_oP112_61_5c_2c_6c_c:H-Na-O-P +mp-720853,Na2PH5O6,-5.8033827124,-1.896088742,0.0039035463,0.0039035463,GGA,Pbca,A5B2C6D_oP112_61_5c_2c_6c_c:H-Na-O-P,112.0,A5B2C6D_oP112_61_5c_2c_6c_c:H-Na-O-P +mp-708993,Na2PH15O11,-5.4702034895,-1.5611407449,0.0192283014,0.0192283014,GGA,P2_1/c,A15B2C11D_mP116_14_15e_2e_11e_e:H-Na-O-P,116.0,A15B2C11D_mP116_14_15e_2e_11e_e:H-Na-O-P +mp-1204395,Na3P2H19O16,-5.6117749619,-1.6517000837,0.0202409072,0.0202409072,GGA,P2_1/c,A19B3C16D2_mP160_14_19e_3e_16e_2e:H-Na-O-P,160.0,A19B3C16D2_mP160_14_19e_3e_16e_2e:H-Na-O-P +mp-727970,Na5P3(H3O4)4,-5.0839754053,-1.1197457967,0.8358252951,0.8358252951,GGA,P-1,A12B5C16D3_aP72_2_12i_5i_16i_3i:H-Na-O-P,72.0,A12B5C16D3_aP72_2_12i_5i_16i_3i:H-Na-O-P +mp-703521,Na5P3(H3O4)4,-5.9007889921,-1.9365593835,0.0190117083,0.0190117083,GGA,P-1,A12B5C16D3_aP72_2_12i_5i_16i_3i:H-Na-O-P,72.0,A12B5C16D3_aP72_2_12i_5i_16i_3i:H-Na-O-P +mp-696157,NaP(HO)6,-5.8234710839,-1.7683056312,0.0097728943,0.0097728943,GGA,P2_12_12_1,A6BC6D_oP56_19_6a_a_6a_a:H-Na-O-P,56.0,A6BC6D_oP56_19_6a_a_6a_a:H-Na-O-P +mp-978284,Na2P3HO9,-6.9500632727,-2.4968711025,0.0051169747,-0.0218129491,GGA,P-1,AB2C9D3_aP30_2_i_2i_9i_3i:H-Na-O-P,30.0,AB2C9D3_aP30_2_i_2i_9i_3i:H-Na-O-P +mp-1193174,Na2P3HO9,-6.9551802473,-2.5019880771,0.0,-0.0269299238,GGA,P-1,AB2C9D3_aP30_2_i_2i_9i_3i:H-Na-O-P,30.0,AB2C9D3_aP30_2_i_2i_9i_3i:H-Na-O-P +mp-1210495,Na3P3HO9,-6.5810485403,-2.3235230499,0.1615658334,0.1615658334,GGA,Pnma,AB3C9D3_oP64_62_c_cd_3c3d_cd:H-Na-O-P,64.0,AB3C9D3_oP64_62_c_cd_3c3d_cd:H-Na-O-P +mp-722834,Na6P2H2O9,-6.0139323137,-2.3261740366,0.0035115996,0.0035115996,GGA,C2/c,A2B6C9D2_mC76_15_f_3f_e4f_f:H-Na-O-P,38.0,A2B6C9D2_mC76_15_f_3f_e4f_f:H-Na-O-P +mp-505701,NaP2H5O8,-6.3217993456,-2.0289074568,0.0,-0.0134302837,GGA,P2_1/c,A5BC8D2_mP64_14_5e_e_8e_2e:H-Na-O-P,64.0,A5BC8D2_mP64_14_5e_e_8e_2e:H-Na-O-P +mp-1210140,NaPHO3,-5.9038879508,-1.7424512877,0.477900944,0.477900944,GGA,P-1,ABC3D_aP24_2_2i_2i_6i_2i:H-Na-O-P,24.0,ABC3D_aP24_2_2i_2i_6i_2i:H-Na-O-P +mp-1210210,NaPHO3,-5.9294900402,-1.7680533771,0.4522988546,0.4522988546,GGA,P2_1/c,ABC3D_mP48_14_2e_2e_6e_2e:H-Na-O-P,48.0,ABC3D_mP48_14_2e_2e_6e_2e:H-Na-O-P +mp-721426,NaPH7O6,-5.643163106,-1.6321602805,0.0273796767,0.0273796767,GGA,C2/c,A7BC6D_mC120_15_7f_f_6f_f:H-Na-O-P,60.0,A7BC6D_mC120_15_7f_f_6f_f:H-Na-O-P +mp-707200,Na4P4H2O13,-6.7102366213,-2.4478141632,0.0250817443,0.0250817443,GGA,P2_12_12_1,A2B4C13D4_oP92_19_2a_4a_13a_4a:H-Na-O-P,92.0,A2B4C13D4_oP92_19_2a_4a_13a_4a:H-Na-O-P +mp-706715,Na5P5(H9O7)2,-5.3637178517,-1.4589119048,0.0383472559,0.0383472559,GGA,P2_1/c,A18B5C14D5_mP168_14_18e_5e_14e_5e:H-Na-O-P,168.0,A18B5C14D5_mP168_14_18e_5e_14e_5e:H-Na-O-P +mp-722904,Na5P3H2O11,-6.2863000436,-2.283844715,0.1511843601,0.1511843601,GGA,P-1,A2B5C11D3_aP42_2_bei_5i_11i_3i:H-Na-O-P,42.0,A2B5C11D3_aP42_2_bei_5i_11i_3i:H-Na-O-P +mp-644245,Na2PH3O5,-5.9667699564,-2.0604086123,0.0081122945,0.0081122945,GGA,P-1,A3B2C5D_aP22_2_3i_2i_5i_i:H-Na-O-P,22.0,A3B2C5D_aP22_2_3i_2i_5i_i:H-Na-O-P +mp-1200362,Na5P3(H14O11)2,-5.4799652923,-1.571758139,0.0424861461,0.0424861461,GGA,P-1,A28B5C22D3_aP116_2_28i_5i_22i_3i:H-Na-O-P,116.0,A28B5C22D3_aP116_2_28i_5i_22i_3i:H-Na-O-P +mp-1221013,NaP2H5O6,-5.9663512575,-1.7668589147,0.009463837,0.009463837,GGA,Cc,A5BC6D2_mC56_9_5a_a_6a_2a:H-Na-O-P,28.0,"Invalid WP multiplicities - A5BC6D2_mC56_9_6a_a_12a_2a:H-Na-O-P, expected NaP2(HO2)6 to be NaP2H5O6" +mp-720334,Na2P2H14O13,-5.7538525279,-1.7126662867,0.0174098673,0.0174098673,GGA,C2/c,A14B2C13D2_mC124_15_7f_f_e6f_f:H-Na-O-P,62.0,A14B2C13D2_mC124_15_7f_f_e6f_f:H-Na-O-P +mp-720825,NaPH4O5,-5.9758674991,-1.8813060867,0.0320518493,0.0320518493,GGA,P-1,A4BC5D_aP66_2_12i_3i_15i_3i:H-Na-O-P,66.0,A4BC5D_aP66_2_12i_3i_15i_3i:H-Na-O-P +mp-554288,NaPH4O5,-6.000500768,-1.9059393556,0.0074185805,0.0074185805,GGA,Pna2_1,A4BC5D_oP44_33_4a_a_5a_a:H-Na-O-P,44.0,"Invalid WP multiplicities - A4BC5D_oP44_33_14a_a_20a_a:H-Na-O-P, expected NaP(H7O10)2 to be NaPH4O5" +mp-1221345,Na2PHO4,-6.2639735119,-2.3592442639,0.0042017253,0.0020680738,GGA,P2_1,AB2C4D_mP16_4_a_2a_4a_a:H-Na-O-P,16.0,AB2C4D_mP16_4_a_2a_4a_a:H-Na-O-P +mp-703305,Na2PHO4,-6.2681752372,-2.3634459892,0.0,-0.0021336516,GGA,P2_1/c,AB2C4D_mP32_14_e_ace_4e_e:H-Na-O-P,32.0,AB2C4D_mP32_14_e_ace_4e_e:H-Na-O-P +mp-720570,Na2PH11O8,-5.4047786882,-1.5433309937000002,0.0187842149,0.0187842149,GGA,Pmn2_1,A11B2C8D_oP44_31_a5b_2a_2a3b_a:H-Na-O-P,44.0,A11B2C8D_oP44_31_a5b_2a_2a3b_a:H-Na-O-P +mp-698063,Na2P2H2O7,-6.5648519827000005,-2.3430113158,0.0,-0.0038186529,GGA,Fddd,A2B2C7D2_oF208_70_ef_h_e3h_h:H-Na-O-P,52.0,A2B2C7D2_oF208_70_ef_h_e3h_h:H-Na-O-P +mp-740750,Na4P4(H2O5)3,-6.3942484853,-2.2045933771,0.0319824014,0.0319824014,GGA,P-1,A6B4C15D4_aP58_2_6i_4i_15i_4i:H-Na-O-P,58.0,A6B4C15D4_aP58_2_6i_4i_15i_4i:H-Na-O-P +mp-695965,RbNa2P3(HO2)6,-6.2730784775,-2.1238237698,0.039468806,0.039468806,GGA,P-1,A6B2C12D3E_aP48_2_6i_2i_12i_3i_i:H-Na-O-P-Rb,48.0,A6B2C12D3E_aP48_2_6i_2i_12i_3i_i:H-Na-O-P-Rb +mp-696019,Na3P2H4O7,-5.8984872844,-1.9614931561,0.0595380637,0.0595380637,GGA,P-1,A4B3C7D2_aP32_2_4i_3i_7i_2i:H-Na-O-P,32.0,A4B3C7D2_aP32_2_4i_3i_7i_2i:H-Na-O-P +mp-774455,Na4P3H3O11,-6.4437349168,-2.3426986,0.0095759933,0.0095759933,GGA,Pbcn,A3B4C11D3_oP84_60_ad_2d_c5d_cd:H-Na-O-P,84.0,"Invalid WP multiplicities - A3B4C11D3_oP84_60_2a2d_5d_2c18d_2c2d:H-Na-O-P, expected Na5P3H3O19 to be Na4P3H3O11" +mp-643651,Rb3ZnH5,-2.6559245411,-0.3042605353,0.0012347108,0.0012347108,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:H-Rb-Zn,18.0,A5B3C_tI36_140_cl_ah_b:H-Rb-Zn +mp-24683,RbZn2P2HO8,-6.4689294236,-2.3765821349,0.0,-0.0175540411,GGA,P-1,AB8C2DE2_aP28_2_i_8i_2i_i_2i:H-O-P-Rb-Zn,28.0,AB8C2DE2_aP28_2_i_8i_2i_i_2i:H-O-P-Rb-Zn +mp-18463,RbZnPO4,-6.4345410043,-2.5144931423,0.0,-0.0719221633,GGA,P2_1,A4BCD_mP28_4_8a_2a_2a_2a:O-P-Rb-Zn,28.0,A4BCD_mP28_4_8a_2a_2a_2a:O-P-Rb-Zn +mp-557089,Rb2Zn3(P2O7)2,-6.7387931772,-2.5367431355,0.0,-0.0248083858,GGA,P2_1,A14B4C2D3_mP46_4_14a_4a_2a_3a:O-P-Rb-Zn,46.0,"Invalid WP multiplicities - A14B4C2D3_mP46_4_26a_6a_2a_6a:O-P-Rb-Zn, expected RbZn3P3O13 to be Rb2Zn3(P2O7)2" +mp-697575,Rb2ZnH4,-2.7239704625,-0.3251539004,0.0,-0.0643591558,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:H-Rb-Zn,28.0,A4B2C_oP28_62_2cd_2c_c:H-Rb-Zn +mp-975140,RbZn4P3,-3.0826497675,-0.3002227634,0.0,-0.0725008816,GGA,P4/mmm,A3BC4_tP8_123_ah_b_i:P-Rb-Zn,8.0,A3BC4_tP8_123_ah_b_i:P-Rb-Zn +mp-1202964,Rb2ZnP4(HO2)8,-6.3444173842,-2.1133577222,0.0063596577,0.0063596577,GGA,P-1,A8B16C4D2E_aP31_2_4i_8i_2i_i_a:H-O-P-Rb-Zn,31.0,A8B16C4D2E_aP31_2_4i_8i_2i_i_a:H-O-P-Rb-Zn +mp-1179737,RbZnP2O9,-5.9017912308,-1.4720157618,0.5962094343000001,0.5962094343000001,GGA,P-1,A9B2CD_aP26_2_9i_2i_i_i:O-P-Rb-Zn,26.0,A9B2CD_aP26_2_9i_2i_i_i:O-P-Rb-Zn +mp-1179765,RbZn2P3O14,-5.910948733,-1.4612701945,0.55747575,0.55747575,GGA,P2_12_12_1,A14B3CD2_oP80_19_14a_3a_a_2a:O-P-Rb-Zn,80.0,A14B3CD2_oP80_19_14a_3a_a_2a:O-P-Rb-Zn +mp-1029850,K15Cr7N19,-6.4400040161,-0.5224254778,0.0,-0.0132442421,GGA,P-1,A7B15C19_aP82_2_7i_bd14i_19i:Cr-K-N,82.0,A7B15C19_aP82_2_7i_bd14i_19i:Cr-K-N +mp-1189043,CsKC2,-4.8253350988,0.2904479773,0.3152639934,0.3152639934,GGA,Pnma,A2BC_oP16_62_d_c_c:C-Cs-K,16.0,A2BC_oP16_62_d_c_c:C-Cs-K +mp-1245815,KCrN,-6.43808652,-0.071439406,0.3895850723,0.3895850723,GGA,Cm,ABC_mC6_8_a_a_a:Cr-K-N,3.0,ABC_mC6_8_a_a_a:Cr-K-N +mp-1201008,Cs2KCr(CN)6,-7.6561295522,-0.2845536981,0.0912892496,0.0912892496,GGA,P2_1/c,A6BC2DE6_mP32_14_3e_a_e_d_3e:C-Cr-Cs-K-N,32.0,A6BC2DE6_mP32_14_3e_a_e_b_3e:C-Cr-Cs-K-N +mp-568773,K3Cr(CN)6,-7.6659930756,-0.2675426496,0.1567957832,0.1567957832,GGA,P2_1/c,A6BC3D6_mP64_14_6e_e_3e_6e:C-Cr-K-N,64.0,"Invalid WP multiplicities - A6BC3D6_mP64_14_22e_e_10e_22e:C-Cr-K-N, expected K10Cr(CN)22 to be K3Cr(CN)6" +mp-645346,K3Cr(CN)6,-7.6646452592,-0.2661948332,0.1581435996,0.1581435996,GGA,Pbcn,A6BC3D6_oP64_60_3d_c_cd_3d:C-Cr-K-N,64.0,"Invalid WP multiplicities - A6BC3D6_oP64_60_19d_c_2c3d_14d:C-Cr-K-N, expected K8Cr(C19N14)2 to be K3Cr(CN)6" +mp-1029673,KCrN2,-7.5052101489,-0.6461010822000001,0.0,-0.0844998314,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cr-K-N,64.0,ABC2_oP32_57_cd_cd_ade:Cr-K-N +mp-1203092,YCuSO7,-6.82719772,-1.8943028571,0.1621538591,0.1621538591,GGA,Pnma,AB7CD_oP40_62_a_3c2d_c_c:Cu-O-S-Y,40.0,AB7CD_oP40_62_a_3c2d_c_c:Cu-O-S-Y +mp-1216058,Y2TeS2,-7.019711188,-2.1498816173,0.0,-0.0038715762,GGA,Immm,A2BC2_oI10_71_e_a_f:S-Te-Y,5.0,A2BC2_oI10_71_e_a_f:S-Te-Y +mp-1190208,Y2CuTe2(SO7)2,-7.077612321,-2.275455065,0.0114842358,0.0114842358,GGA,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Y,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Y +mp-1245887,NaFeN,-5.8468828033,0.1961310061,0.4058888978,0.4058888978,GGA,P-6m2,ABC_hP3_187_b_a_c:Fe-N-Na,3.0,ABC_hP3_187_b_a_c:Fe-N-Na +mp-1215894,Zn2Mo(WO4)2,-7.9321322388,-1.866370125,0.0919713762,0.0919713762,GGA+U,P1,AB8C2D2_aP26_1_2a_16a_4a_4a:Mo-O-W-Zn,26.0,AB8C2D2_aP26_1_2a_16a_4a_4a:Mo-O-W-Zn +mp-2217354,MgZn2MoWO6,-7.0966427773,-1.8599446066,0.1923652141,0.1923652141,GGA+U,R3,ABC6DE2_hR33_146_a_a_2b_a_2a:Mg-Mo-O-W-Zn,11.0,"Invalid WP multiplicities - ABC6DE2_hR33_146_a_a_4b_a_2a:Mg-Mo-O-W-Zn, expected MgZn2MoWO12 to be MgZn2MoWO6" +mp-2217630,MgZn2MoWO6,-7.0971908164,-1.8604926457,0.191817175,0.191817175,GGA+U,R3,ABC6DE2_hR33_146_a_a_2b_a_2a:Mg-Mo-O-W-Zn,11.0,"Invalid WP multiplicities - ABC6DE2_hR33_146_a_a_4b_a_2a:Mg-Mo-O-W-Zn, expected MgZn2MoWO12 to be MgZn2MoWO6" +mp-1784691,Zn2MoWO6,-7.488755709,-1.8884157263,0.046173809,0.046173809,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Mo-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Mo-O-W-Zn +mp-1399089,Zn2MoWO6,-2.652484214,2.9478557687,4.882445304,4.882445304,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Mo-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Mo-O-W-Zn +mp-1374028,Zn2MoWO6,-7.4815066255,-1.8811666428,0.0534228925,0.0534228925,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mo-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_d_e:Mo-O-W-Zn +mp-1045062,Zn2MoWO6,-7.488113369,-1.8877733863,0.046816149,0.046816149,GGA+U,R3,AB6CD2_hR30_146_a_2b_a_2a:Mo-O-W-Zn,10.0,"Invalid WP multiplicities - AB6CD2_hR30_146_a_4b_a_2a:Mo-O-W-Zn, expected Zn2MoWO12 to be Zn2MoWO6" +mp-1214519,Ba6Y2Al4O15,-7.6167591374,-3.4082618835,0.0,-0.014110041,GGA,P2/c,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Y,54.0,A4B6C15D2_mP54_13_2g_ef2g_e7g_g:Al-Ba-O-Y +mp-1205685,Ba2YZrO6,-8.23508005,-3.3818546609,0.0488757234,0.0488757234,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Y-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Y-Zr +mp-1214494,Ba5Y2ZrAl2O13,-7.9408278085,-3.4680616144,0.0085269263,0.0085269263,GGA,P6_3/mmc,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Y-Zr,46.0,A2B5C13D2E_hP46_194_f_cef_d2k_f_a:Al-Ba-O-Y-Zr +mp-759878,RbMgH12(ClO2)3,-4.9219305239,-1.508049267,0.0008395414,0.0008395414,GGA,P1,A3B12CD6E_aP46_1_6a_24a_2a_12a_2a:Cl-H-Mg-O-Rb,46.0,A3B12CD6E_aP46_1_6a_24a_2a_12a_2a:Cl-H-Mg-O-Rb +mp-1025227,Rb2MgCl4,-3.8433306857,-2.278259995,0.0,-0.0059934971,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Mg-Rb,7.0,A4BC2_tI14_139_ce_a_e:Cl-Mg-Rb +mp-24662,Rb4Mg3H10,-2.8400344862,-0.3311970221,0.0,-0.0094387456,GGA,Cmce,A10B3C4_oC68_64_e2fg_af_2f:H-Mg-Rb,34.0,A10B3C4_oC68_64_e2fg_af_2f:H-Mg-Rb +mp-23948,Rb3MgH5,-2.6779240519,-0.2884226639,0.0077717412,0.0077717412,GGA,P4/ncc,A5BC3_tP36_130_cg_b_cf:H-Mg-Rb,36.0,A5BC3_tP36_130_cg_b_cf:H-Mg-Rb +mp-643712,Rb3MgH5,-2.67784864,-0.2883472519,0.0078471531,0.0078471531,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:H-Mg-Rb,18.0,A5BC3_tI36_140_cl_b_ah:H-Mg-Rb +mp-771160,Rb2MgH4,-2.6763094921,-0.2288448671,0.084350809,0.084350809,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb,28.0,"Invalid WP multiplicities - A4BC2_oP28_62_7c2d_c_5c:H-Mg-Rb, expected Rb5MgH11 to be Rb2MgH4" +mp-643770,Rb2MgH4,-2.7474040129,-0.2999393879,0.0132562883,0.0132562883,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb,28.0,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb +mp-644244,Rb2MgH4,-2.6165786421,-0.1691140171,0.144081659,0.144081659,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb,28.0,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb +mp-1186835,Rb2MgH4,-2.67734185,-0.229877225,0.0833184512,0.0833184512,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:H-Mg-Rb,28.0,"Invalid WP multiplicities - A4BC2_oP28_62_6c3d_c_3c:H-Mg-Rb, expected Rb3MgH12 to be Rb2MgH4" +mp-974586,Rb2MgH4,-2.6776947871,-0.2302301621,0.082965514,0.082965514,GGA,Cmcm,A4BC2_oC28_63_fg_c_ac:H-Mg-Rb,14.0,"Invalid WP multiplicities - A4BC2_oC28_63_f2g_c_ac:H-Mg-Rb, expected Rb2MgH6 to be Rb2MgH4" +mp-1234329,Rb12Mg(ClO)4,-3.2871983633,-1.356360725,0.2930794234,0.2930794234,GGA,P1,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Mg-O-Rb,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Mg-O-Rb +mp-1234577,Rb12Mg(ClO)4,-3.2884630019,-1.3576253636,0.2918147849,0.2918147849,GGA,P1,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Mg-O-Rb,21.0,A4BC4D12_aP21_1_4a_a_4a_12a:Cl-Mg-O-Rb +mp-1233314,Rb12Mg(ClO)4,-3.2187642276,-1.2879265893,0.3615135591,0.3615135591,GGA,Pm,A4BC4D12_mP21_6_2a2b_a_2c_2a2b4c:Cl-Mg-O-Rb,21.0,A4BC4D12_mP21_6_2a2b_a_2c_2a2b4c:Cl-Mg-O-Rb +mp-662499,RbMgCl3,-3.9042653253,-2.2789805048,0.0042435867,-0.0045433293,GGA,P6_3/mmc,A3BC_hP30_194_hk_af_bf:Cl-Mg-Rb,30.0,"Invalid WP multiplicities - A3BC_hP30_194_4h4k_2a2f_b2f:Cl-Mg-Rb, expected Rb5Mg6Cl36 to be RbMgCl3" +mp-27208,RbMgCl3,-3.908508912,-2.2832240915,0.0,-0.008786916,GGA,P6_3/mmc,A3BC_hP20_194_gh_f_ac:Cl-Mg-Rb,20.0,"Invalid WP multiplicities - A3BC_hP20_194_g2h_f_ac:Cl-Mg-Rb, expected Rb2Mg2Cl9 to be RbMgCl3" +mp-23738,RbMgH3,-2.8848991707,-0.3331007192,0.0,-0.0074218519,GGA,P6_3/mmc,A3BC_hP30_194_hk_af_bf:H-Mg-Rb,30.0,A3BC_hP30_194_hk_af_bf:H-Mg-Rb +mp-1209754,RbMg(ClO2)3,-3.9822142745,-0.5452546045000001,0.7462856774000001,0.7462856774000001,GGA,P1,A3BC6D_aP22_1_6a_2a_12a_2a:Cl-Mg-O-Rb,22.0,A3BC6D_aP22_1_6a_2a_12a_2a:Cl-Mg-O-Rb +mp-1192480,RbMg(ClO2)3,-4.0437224636,-0.6067627936000001,0.6847774883000001,0.6847774883000001,GGA,C2/c,A3BC6D_mC44_15_af_b_3f_e:Cl-Mg-O-Rb,22.0,A3BC6D_mC44_15_cf_d_3f_e:Cl-Mg-O-Rb +mp-560937,Na3Si3SnO9F,-7.0126133174,-2.8546851295,0.0,-0.0225232766,GGA,C2/m,AB3C9D3E_mC68_12_i_ij_i4j_gj_h:F-Na-O-Si-Sn,34.0,"Invalid WP multiplicities - AB3C9D3E_mC68_12_i_2i2j_2i12j_g2j_h:F-Na-O-Si-Sn, expected Na6Si5SnO26F to be Na3Si3SnO9F" +mp-707027,CaScSi3HO9,-8.0918639737,-3.2567341389,0.0007573993,0.0007573993,GGA,P-1,ABC9DE3_aP30_2_i_i_9i_i_3i:Ca-H-O-Sc-Si,30.0,ABC9DE3_aP30_2_i_i_9i_i_3i:Ca-H-O-Sc-Si +mp-556604,BaCuPClO4,-6.6365041891,-2.5031572364,0.0053761203,0.0053761203,GGA,P2_12_12_1,ABCD4E_oP32_19_a_a_a_4a_a:Ba-Cl-Cu-O-P,32.0,"Invalid WP multiplicities - ABCD4E_oP32_19_a_a_a_16a_a:Ba-Cl-Cu-O-P, expected BaCuPClO16 to be BaCuPClO4" +mp-558349,Ba5P3ClO12,-7.4490862548,-3.3041537112,0.0,-0.0320403393,GGA,P6_3/m,A5BC12D3_hP42_176_fh_b_2hi_h:Ba-Cl-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_3f2h_b_9h7i_h:Ba-Cl-O-P, expected Ba12P3ClO69 to be Ba5P3ClO12" +mp-569613,Ba2P7Cl,-5.234105479,-0.8761450703,0.000778827,0.000778827,GGA,P2_1/m,A2BC7_mP20_11_2e_e_3e2f:Ba-Cl-P,20.0,"Invalid WP multiplicities - A2BC7_mP20_11_4e_e_6e6f:Ba-Cl-P, expected Ba4P18Cl to be Ba2P7Cl" +mp-1194911,Ba3P3ClO10,-7.45357233,-3.1410866763,0.0,-0.0034323043,GGA,Pca2_1,A3BC10D3_oP68_29_3a_a_10a_3a:Ba-Cl-O-P,68.0,A3BC10D3_oP68_29_3a_a_10a_3a:Ba-Cl-O-P +mp-27869,Ba2PCl,-4.59291959,-1.8179723283,0.0,-0.0911278681,GGA,R-3m,A2BC_hR12_166_c_a_b:Ba-Cl-P,4.0,A2BC_hR12_166_c_a_b:Ba-Cl-P +mp-1288751,SrLaVFeO6,-8.22590763,-2.8399516194,0.0650978848,0.0650978848,GGA+U,P1,ABC6DE_aP20_1_2a_2a_12a_2a_2a:Fe-La-O-Sr-V,20.0,ABC6DE_aP20_1_2a_2a_12a_2a_2a:Fe-La-O-Sr-V +mp-1275262,SrLaVFeO6,-8.231978426,-2.8460224154,0.0590270888,0.0590270888,GGA+U,Cm,ABC6DE_mC40_8_2a_2a_4a4b_2a_2a:Fe-La-O-Sr-V,20.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-La-O-Sr-V +mp-1272613,SrLaVFeO6,-8.2324501325,-2.8464941219,0.0585553823,0.0585553823,GGA+U,P-4m2,ABC6DE_tP20_115_ac_g_efhi_g_bd:Fe-La-O-Sr-V,20.0,"Invalid WP multiplicities - ABC6DE_oC40_21_ac_k_2e2f2g2h2i2j_k_bd:Fe-La-O-Sr-V, expected SrLaVFeO12 to be SrLaVFeO6" +mp-1173157,SrLaVFeO6,-8.22738367,-2.8414276594,0.0636218448,0.0636218448,GGA+U,I-4m2,ABC6DE_tI60_119_ae_cf_3egj_df_be:Fe-La-O-Sr-V,30.0,"Invalid WP multiplicities - ABC6DE_tI60_119_ae_cf_5e2g4j_df_be:Fe-La-O-Sr-V, expected Sr3La3V3Fe3O50 to be SrLaVFeO6" +mp-1218148,SrLaVFeO6,-8.2365489015,-2.8505928909,0.0544566133,0.0544566133,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-La-O-Sr-V,20.0,"Invalid WP multiplicities - ABC6DE_tI20_119_a_c_2e2g_d_b:Fe-La-O-Sr-V, expected SrLaVFeO12 to be SrLaVFeO6" +mp-31506,Mg32Al36Ag13,-2.826178407,-0.0746608821,0.0208854577,0.0208854577,GGA,Im-3,A13B36C32_cI162_204_ag_gh_2efg:Ag-Al-Mg,81.0,"Invalid WP multiplicities - A13B36C32_cI162_204_ag_g2h_2e3f2g:Ag-Al-Mg, expected Mg60Al60Ag13 to be Mg32Al36Ag13" +mp-570806,Mg30Al24Ag19,-2.6736948064,-0.0473826765,0.093046204,0.093046204,GGA,Pm-3,A19B24C30_cP146_200_abfgjk_jkl_ehjkl:Ag-Al-Mg,146.0,"Invalid WP multiplicities - A19B24C30_cP146_200_ab5f6g10j6k_10j8k13l_6e5h9j11k15l:Ag-Al-Mg, expected Mg333(Al132Ag65)2 to be Mg30Al24Ag19" +mp-1222060,MgAlAg,-2.8686451658000003,-0.1425078714,0.0246284908,0.0246284908,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Ag-Al-Mg,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Ag-Al-Mg, expected Mg3(AlAg)2 to be MgAlAg" +mp-1185647,Mg16Al12Ag,-2.5662551414,-0.0357742185,0.006108371,0.006108371,GGA,Cm,AB12C16_mC58_8_a_2a5b_4a6b:Ag-Al-Mg,29.0,"Invalid WP multiplicities - AB12C16_mC58_8_a_2a9b_4a11b:Ag-Al-Mg, expected Mg26Al20Ag to be Mg16Al12Ag" +mp-1185643,Mg16Al12Ag,-2.5557740621,-0.0252931392,0.0165894503,0.0165894503,GGA,R3m,AB12C16_hR87_160_a_2bc_a3bc:Ag-Al-Mg,29.0,"Invalid WP multiplicities - AB12C16_hR87_160_a_5b4c_a9b5c:Ag-Al-Mg, expected Mg58Al39Ag to be Mg16Al12Ag" +mp-1047169,AlAg(WO4)2,-8.0460901675,-2.0404316689,0.1901477698,0.1901477698,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Ag-Al-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Ag-Al-O-W, expected AlAg(WO8)2 to be AlAg(WO4)2" +mp-1047674,AlAg(WO4)2,-8.1189987279,-2.1133402293,0.1172392094,0.1172392094,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Ag-Al-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Ag-Al-O-W +mp-2220125,MgAlAg(WO4)2,-7.8968209138,-2.2300376805,0.1938555753,0.1938555753,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Ag-Al-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Ag-Al-Mg-O-W +mp-2219107,MgAlAg(WO4)2,-7.8542337,-2.1874504667,0.2364427891,0.2364427891,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Ag-Al-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Ag-Al-Mg-O-W +mp-865489,Mg17Al11Ag,-2.4931897486,-0.0366845423,0.0058011025,0.0058011025,GGA,Cm,AB11C17_mC58_8_a_a5b_5a6b:Ag-Al-Mg,29.0,"Invalid WP multiplicities - AB11C17_mC58_8_a_a9b_5a11b:Ag-Al-Mg, expected Mg27Al19Ag to be Mg17Al11Ag" +mp-865919,MgAlAg2,-2.9332404925,-0.1804985208,0.0,-0.0268424531,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Al-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Al-Mg +mp-1521399,KGdZrTiO6,-9.438001746,-3.3070171359,0.2006748919,0.2006748919,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Gd-K-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Gd-K-O-Ti-Zr +mp-1043770,MgTiCu(PO4)3,-7.5820179022,-2.6267317471,0.0474638809,0.0474638809,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Cu-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Cu-Mg-O-P-Ti, expected MgTiCu(PO18)3 to be MgTiCu(PO4)3" +mp-1046020,Ba2YTi2TlO7,-7.8652675954,-3.0125853529,0.2375247825,0.2375247825,GGA,P4/mmm,A2B7C2DE_tP13_123_g_ahi_h_c_b:Ba-O-Ti-Tl-Y,13.0,"Invalid WP multiplicities - A2B7C2DE_tP13_123_g_a2h2i_h_c_b:Ba-O-Ti-Tl-Y, expected Ba2YTi2TlO13 to be Ba2YTi2TlO7" +mp-1047361,Ba2YTi3O8,-8.6553243464,-3.4007238655,0.0307192042,0.0307192042,GGA,P4/mmm,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-Ti-Y,14.0,"Invalid WP multiplicities - A2B8C3D_tP14_123_h_2e2g2i_b2g_c:Ba-O-Ti-Y, expected Ba2YTi5O16 to be Ba2YTi3O8" +mp-16663,Ba6Y2Ti4O17,-8.3652327553,-3.5334235131,0.0,-0.0028760561,GGA,P6_3/mmc,A6B17C4D2_hP58_194_ab2f_fh2k_2f_e:Ba-O-Ti-Y,58.0,"Invalid WP multiplicities - A6B17C4D2_hP58_194_ab4f_fh3k_2f_e:Ba-O-Ti-Y, expected Ba10Y2Ti4O23 to be Ba6Y2Ti4O17" +mp-1048118,BaYTi4O7,-8.8084046408,-3.0703865562,0.1748995555,0.1748995555,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-Ti-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-Ti-Y +mp-1047867,Ba2YTi3O7,-8.4590063454,-3.1807203437,0.0961335646,0.0961335646,GGA,Pmmm,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-Ti-Y,13.0,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-Ti-Y +mp-1212767,NaSi2W2O5,-7.521774549,-1.239488012,1.2007670947,1.2007670947,GGA+U,P2_1/c,AB5C2D2_mP80_14_abe_10e_4e_4e:Na-O-Si-W,80.0,AB5C2D2_mP80_14_ade_10e_4e_4e:Na-O-Si-W +mp-1215210,ZrSiW4,-10.6682530783,0.2993368517,0.5990228292,0.5990228292,GGA,F-43m,AB4C_cF24_216_a_e_c:Si-W-Zr,6.0,AB4C_cF24_216_a_e_c:Si-W-Zr +mp-1228807,AlV6Ga,-7.8158373863,-0.1561988522,0.0,-0.0020259569,GGA,Pm-3,ABC6_cP8_200_a_b_f:Al-Ga-V,8.0,ABC6_cP8_200_a_b_f:Al-Ga-V +mp-1046832,Sr2V2GaO7,-7.4878947146,-2.5544183773,0.2325771905,0.2325771905,GGA+U,Ima2,AB7C2D2_oI48_46_b_b3c_c_c:Ga-O-Sr-V,24.0,"Invalid WP multiplicities - AB7C2D2_oI48_46_b_2b7c_c_c:Ga-O-Sr-V, expected Sr2V2GaO16 to be Sr2V2GaO7" +mp-1046771,Sr2AlV2GaO7,-7.4241850154,-2.5820856402,0.2225788898,0.2225788898,GGA+U,Cm,ABC7D2E2_mC52_8_b_2a_2a6b_2b_2b:Al-Ga-O-Sr-V,26.0,"Invalid WP multiplicities - ABC7D2E2_mC52_8_b_2a_2a11b_3b_2b:Al-Ga-O-Sr-V, expected Sr3AlV2GaO12 to be Sr2AlV2GaO7" +mp-6625,LaAgSO,-6.5191699575,-2.3062445359,0.0034894194,0.0034894194,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Ag-La-O-S,8.0,ABCD_tP8_129_a_c_b_c:Ag-La-O-S +mp-1211374,La2AgS2O,-5.3167366517,-0.9960435419,1.5306341597,1.5306341597,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Ag-La-O-S,6.0,AB2CD2_tP6_123_a_g_b_g:Ag-La-O-S +mp-555253,La5Ti2AgS5O7,-7.9933420493,-3.0627097555,0.0,-0.0251799039,GGA,Pnma,AB5C7D5E2_oP80_62_c_5c_7c_5c_2c:Ag-La-O-S-Ti,80.0,"Invalid WP multiplicities - AB5C7D5E2_oP80_62_c_17c_24c_16c_3c:Ag-La-O-S-Ti, expected La17Ti3Ag(S2O3)8 to be La5Ti2AgS5O7" +mp-680477,Al2RhC4Cl7O4,-6.1089265708,-1.4146691839,0.1691791895,0.1691791895,GGA,P-1,A2B4C7D4E_aP36_2_2i_4i_7i_4i_be:Al-C-Cl-O-Rh,36.0,"Invalid WP multiplicities - A2B4C7D4E_aP36_2_3i_8i_13i_8i_be:Al-C-Cl-O-Rh, expected Al3RhC8Cl13O8 to be Al2RhC4Cl7O4" +mp-676414,Al4CO,-5.4472497283,-0.5876401410000001,0.412309985,0.412309985,GGA,P1,A4BC_aP6_1_4a_a_a:Al-C-O,6.0,A4BC_aP6_1_4a_a_a:Al-C-O +mp-1265399,Al4CO,-5.45006018,-0.5904505927,0.4094995333,0.4094995333,GGA,Pm,A4BC_mP6_6_2a2b_a_a:Al-C-O,6.0,A4BC_aP6_1_4a_a_a:Al-C-O +mp-1173027,Al4CO,-5.5650576417,-0.7054480544,0.2945020717,0.2945020717,GGA,Cm,A4BC_mC12_8_4a_a_a:Al-C-O,6.0,A4BC_mC12_8_4a_a_a:Al-C-O +mp-1247836,Al4CO,-4.54088405,0.3187255373,1.3186756633,1.3186756633,GGA,Cm,A4BC_mC12_8_4a_a_a:Al-C-O,6.0,A4BC_mC12_8_4a_a_a:Al-C-O +mp-1228266,Al6CO7,-7.3772197193,-2.6394381871,0.2531657275,0.2531657275,GGA,R3m,A6BC7_hR42_160_6a_a_7a:Al-C-O,14.0,A6BC7_hR42_160_6a_a_7a:Al-C-O +mp-772624,Al2CO,-6.8400476925,-1.4234212266,0.0765039625,0.0765039625,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:Al-C-O,16.0,"Invalid WP multiplicities - A2BC_oP16_33_7a_a_a:Al-C-O, expected Al7CO to be Al2CO" +mp-1228951,Al2CO,-6.7715956125000005,-1.3549691466,0.1449560425,0.1449560425,GGA,P-6m2,A2BC_hP4_187_ad_b_c:Al-C-O,4.0,A2BC_hP4_187_ad_b_c:Al-C-O +mp-13703,Al4CO4,-7.4841785044,-2.5955425425,0.0,-0.0331274378,GGA,Cmc2_1,A4BC4_oC36_36_2ab_a_2ab:Al-C-O,18.0,A4BC4_oC36_36_2ab_a_2ab:Al-C-O +mp-695044,Ca5Y3Ti5Mn3O24,-8.7191376255,-3.3413514313,0.0204691667,0.0204691667,GGA+U,P1,A5B3C24D5E3_aP40_1_5a_3a_24a_5a_3a:Ca-Mn-O-Ti-Y,40.0,A5B3C24D5E3_aP40_1_5a_3a_24a_5a_3a:Ca-Mn-O-Ti-Y +mp-1188841,BaNb2V2O11,-8.7871953362,-2.8682595248,0.0,-0.0109015017,GGA+U,R-3m,AB2C11D2_hR48_166_a_c_cdh_c:Ba-Nb-O-V,16.0,AB2C11D2_hR48_166_a_c_cdh_c:Ba-Nb-O-V +mp-1277332,Ba2NbVO6,-8.3657339,-3.0954045743,0.024770525,-0.0344504016,GGA+U,C2/m,A2BC6D_mC40_12_2i_i_2i2j_ad:Ba-Nb-O-V,20.0,"Invalid WP multiplicities - A2BC6D_aP20_2_3i_i_12i_be:Ba-Nb-O-V, expected Ba3NbVO12 to be Ba2NbVO6" +mp-1078969,Ba2NbVO6,-8.390504425,-3.1201750993,0.0,-0.0592209266,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nb-O-V,40.0,"Invalid WP multiplicities - A2BC6D_tI20_139_d_a_2e3h_b:Ba-Nb-O-V, expected Ba2NbVO16 to be Ba2NbVO6" +mp-1228103,Ba6Na2Nb2V2O17,-7.7252906697,-3.0141516856,0.0,-0.0180087365,GGA+U,C2,A6B2C2D17E2_mC58_5_ab2c_c_c_a8c_c:Ba-Na-Nb-O-V,29.0,"Invalid WP multiplicities - A6B2C2D17E2_mC58_5_ab2c_c_c_a14c_c:Ba-Na-Nb-O-V, expected Ba6Na2Nb2V2O29 to be Ba6Na2Nb2V2O17" +mp-1214677,Ba6Na2Nb2V2O17,-7.7158631007,-3.0047241166,0.009427569,-0.0085811676,GGA+U,P6_3/mmc,A6B2C2D17E2_hP58_194_ab2f_e_f_fh2k_f:Ba-Na-Nb-O-V,58.0,A6B2C2D17E2_hP58_194_ab2f_e_f_fh2k_f:Ba-Na-Nb-O-V +mp-694918,NaCa2V3(CoO6)2,-7.7874429443,-2.4793257748,0.0,-0.02734755,GGA+U,I4_1/acd,A2B2CD12E3_tI160_142_e_c_b_3g_ae:Ca-Co-Na-O-V,80.0,"Invalid WP multiplicities - A2B2CD12E3_tI160_142_e_c_b_41g_3a2e:Ca-Co-Na-O-V, expected NaCa2V7(CoO82)2 to be NaCa2V3(CoO6)2" +mp-1171437,Ca3V2(Si2O7)2,-8.2096589085,-3.2035925668,0.0385330266,0.0385330266,GGA+U,C2/c,A3B14C4D2_mC92_15_ef_7f_2f_ae:Ca-O-Si-V,46.0,"Invalid WP multiplicities - A3B14C4D2_mC92_15_2e2f_27f_5f_ae:Ca-O-Si-V, expected Ca3VSi5O27 to be Ca3V2(Si2O7)2" +mp-1196058,CaVSi4O11,-8.2725551185,-3.1428872424,0.0488847301,0.0488847301,GGA+U,Pna2_1,AB11C4D_oP68_33_a_11a_4a_a:Ca-O-Si-V,68.0,AB11C4D_oP68_33_a_11a_4a_a:Ca-O-Si-V +mp-1213869,CaVSiO5,-8.2620127834,-3.1059793414,0.0,-0.0102920593,GGA+U,C2/c,AB5CD_mC32_15_e_e2f_e_a:Ca-O-Si-V,32.0,AB5CD_mC32_15_e_e2f_e_c:Ca-O-Si-V +mp-1200285,CaVSi4O15,-7.1427508267,-2.0479361248,0.5813618956000001,0.5813618956000001,GGA+U,Cmc2_1,AB15C4D_oC84_36_a_3a6b_2b_a:Ca-O-Si-V,42.0,AB15C4D_oC84_36_a_3a6b_2b_a:Ca-O-Si-V +mp-1182493,CaVSi4O15,-7.132521817,-2.0377071152,0.5915909052,0.5915909052,GGA+U,Pnma,AB15C4D_oP84_62_c_3c6d_2d_c:Ca-O-Si-V,84.0,AB15C4D_oP84_62_c_3c6d_2d_c:Ca-O-Si-V +mp-1043605,CaV(Si2O5)2,-8.2718122856,-3.1307082117,0.059540728,0.059540728,GGA+U,P4/ncc,AB10C4D_tP64_130_b_f2g_g_c:Ca-O-Si-V,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_b_f5g_g_c:Ca-O-Si-V, expected CaV(Si2O11)2 to be CaV(Si2O5)2" +mp-1202545,CaV(Si2O7)2,-7.3851172545,-2.2828962531,0.4778666683,0.4778666683,GGA+U,Cmc2_1,AB14C4D_oC80_36_a_2a6b_2b_a:Ca-O-Si-V,40.0,AB14C4D_oC80_36_a_2a6b_2b_a:Ca-O-Si-V +mp-1133299,CaV(SiO3)2,-8.301079493,-3.1390520653,0.0045269848,0.0045269848,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-V,20.0,AB6C2D_mC40_15_e_3f_f_e:Ca-O-Si-V +mp-1041879,CaV(SiO3)2,-8.2223897739,-3.0603623461,0.0832167039,0.0832167039,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Ca-O-Si-V,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Ca-O-Si-V, expected CaVSi8O41 to be CaV(SiO3)2" +mp-1233321,CaV2Zn2(SiO5)2,-7.5181008182,-2.635134794,0.1417967661,0.1417967661,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-Si-V-Zn +mp-1234637,CaV2Zn2(SiO5)2,-7.5320822935,-2.6491162693,0.1278152908,0.1278152908,GGA+U,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-Si-V-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Ca-O-Si-V-Zn +mp-1163934,Ca3V2(SiO4)3,-8.2292811394,-3.2382396191,0.0,-0.0178138656,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-V,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-V +mp-1246892,GaSi2N3,-7.2739075167,-0.7925380404,0.29123602,0.29123602,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Ga-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Ga-N-Si +mp-1247550,Na3GaN2,-4.085411895,-0.1406349362,0.1608775096,0.1608775096,GGA,I4_1/amd,AB2C3_tI48_141_e_h_eg:Ga-N-Na,24.0,AB2C3_tI48_141_e_h_eg:Ga-N-Na +mp-1246233,Na3GaN2,-4.0184522352,-0.0736752764,0.2278371694,0.2278371694,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Ga-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Ga-N-Na +mp-1246168,NaSi5N7,-7.9064704003,-1.2291950219,0.0275770636,0.0275770636,GGA,Pna2_1,A7BC5_oP104_33_14a_2a_10a:N-Na-Si,104.0,A7BC5_oP104_33_14a_2a_10a:N-Na-Si +mp-8973,NaSi2N3,-7.4039222608,-1.2068145728,0.0,-0.1031692061,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Na-Si,12.0,A3BC2_oC24_36_ab_a_b:N-Na-Si +mp-1246579,Na3Si3N5,-6.5849052827,-0.9552685013,0.0546452826,0.0546452826,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Na-Si,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Na-Si +mp-695020,Na4Ga3Si3NO14,-6.1163592716,-1.786740063,0.7058811813,0.7058811813,GGA,P1,A3BC4D14E3_aP50_1_6a_2a_8a_28a_6a:Ga-N-Na-O-Si,50.0,A3BC4D14E3_aP50_1_6a_2a_8a_28a_6a:Ga-N-Na-O-Si +mp-774827,Li4V2CrTeO12,-7.010486088,-2.1124800127,0.1038245389,0.1038245389,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Te-V,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Te-V +mp-754916,Li4VCr(TeO6)2,-6.6192638795,-2.0182878131,0.0679624961,0.0679624961,GGA+U,P1,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Cr-Li-O-Te-V,20.0,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Cr-Li-O-Te-V +mp-763835,V3Cr3(TeO8)2,-7.9679025346,-2.0660487101,0.0978250866,0.0978250866,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Te-V,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Te-V +mp-753297,V3Cr3(TeO8)2,-7.9429618692,-2.0411080447,0.122765752,0.122765752,GGA+U,Cm,A3B16C2D3_mC48_8_ab_8a4b_2a_ab:Cr-O-Te-V,24.0,"Invalid WP multiplicities - A3B16C2D3_mC48_8_ab_8a6b_2a_ab:Cr-O-Te-V, expected V3Cr3(TeO10)2 to be V3Cr3(TeO8)2" +mp-769563,Li4V3Cr3(TeO8)2,-7.5584401429,-2.2270050267,0.037143511,0.037143511,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cr-Li-O-Te-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cr-Li-O-Te-V +mp-1213422,CsKZr6BCl15,-5.8497404993,-2.1955968839,0.0,-0.0471245386,GGA,Pmma,AB15CDE6_oP96_51_af_efgijk5l_be_k_2fi2l:B-Cl-Cs-K-Zr,96.0,AB15CDE6_oP96_51_af_efgijk5l_be_k_2fi2l:B-Cl-Cs-K-Zr +mp-677017,KRb5Zn4Sn5S17,-4.2464911178,-1.0771301565,0.0,-0.0197343392,GGA,P1,AB5C17D5E4_aP32_1_a_5a_17a_5a_4a:K-Rb-S-Sn-Zn,32.0,AB5C17D5E4_aP32_1_a_5a_17a_5a_4a:K-Rb-S-Sn-Zn +mp-694852,K5RbZn4Sn5S17,-4.2645298253,-1.0789357547,0.0,-0.0045035233,GGA,P1,A5BC17D5E4_aP32_1_5a_a_17a_5a_4a:K-Rb-S-Sn-Zn,32.0,A5BC17D5E4_aP32_1_5a_a_17a_5a_4a:K-Rb-S-Sn-Zn +mp-1209878,Rb2Be2Ni(O3F4)2,-4.71304159,-1.5450418762,0.6102303991,0.6102303991,GGA+U,P2_1/c,A2B8CD6E2_mP38_14_e_4e_a_3e_e:Be-F-Ni-O-Rb,38.0,A2B8CD6E2_mP38_14_e_4e_a_3e_e:Be-F-Ni-O-Rb +mp-1212801,Rb2BeNi2F14,-4.2015317847,-1.8846128418,0.2122291975,0.2122291975,GGA+U,P2_1/c,AB14C2D2_mP38_14_a_7e_e_e:Be-F-Ni-Rb,38.0,AB14C2D2_mP38_14_a_7e_e_e:Be-F-Ni-Rb +mp-1209719,Rb2Be3Ni2F12,-5.6002495772,-3.0909165399,0.0,-0.0169703275,GGA+U,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Ni-Rb,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Ni-Rb +mp-1233129,Sr4CaY2(RuO6)2,-7.4640857652,-2.7209626445,0.1892772537,0.1892772537,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Y +mp-1234402,Sr4CaY2(RuO6)2,-7.4712219267,-2.728098806,0.1821410923,0.1821410923,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Ca-O-Ru-Sr-Y +mp-1218511,SrCaYRuO6,-7.7543069085,-2.8426969831,0.0087592849,0.0087592849,GGA,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Ca-O-Ru-Sr-Y,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Ca-O-Ru-Sr-Y +mp-14430,Sr2YRuO6,-7.727889643,-2.8478903603,0.0,-0.0163160041,GGA,P2_1/c,A6BC2D_mP20_14_3e_a_e_d:O-Ru-Sr-Y,20.0,A6BC2D_mP20_14_3e_a_e_b:O-Ru-Sr-Y +mp-1519274,KPrSmSbO6,-7.198106964,-2.7562045295,0.1752678158,0.1752678158,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Sm,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Sm +mp-1516402,KCeHf2O6,-9.203706023,-3.53990618,0.0994476362,0.0994476362,GGA,Fm-3m,AB2CD6_cF40_225_a_c_b_d:Ce-Hf-K-O,10.0,AB2CD6_cF40_225_a_c_b_d:Ce-Hf-K-O +mp-1516339,KCeHf4O12,-9.1954891206,-3.2936830785,0.2063136228,0.2063136228,GGA,Amm2,AB4CD12_oC36_38_a_f_b_2cdef:Ce-Hf-K-O,18.0,"Invalid WP multiplicities - AB4CD12_oC36_38_a_f_b_3c2d2ef:Ce-Hf-K-O, expected KCeHf4O18 to be KCeHf4O12" +mp-1516409,KEu(NiO3)4,-5.66583521,-0.4520456543,0.6982507697,0.6982507697,GGA+U,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Eu-K-Ni-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Eu-K-Ni-O, expected KEu(Ni2O9)2 to be KEu(NiO3)4" +mp-677520,KBa6Zn4(GaO3)7,-6.1331510979,-2.4731419154,0.0,-0.0019086171,GGA,P1,A6B7CD21E4_aP78_1_12a_14a_2a_42a_8a:Ba-Ga-K-O-Zn,78.0,A6B7CD21E4_aP78_1_12a_14a_2a_42a_8a:Ba-Ga-K-O-Zn +mp-643364,HPbClO,-4.94418431,-1.4690346884,0.0,-0.00772072,GGA,C2/m,ABCD_mC16_12_i_i_i_i:Cl-H-O-Pb,8.0,ABCD_mC16_12_i_i_i_i:Cl-H-O-Pb +mp-696701,HPbClO,-4.9420760519,-1.4669264303,0.0021082581,-0.0056124619,GGA,Pnma,ABCD_oP16_62_c_c_c_c:Cl-H-O-Pb,16.0,ABCD_oP16_62_c_c_c_c:Cl-H-O-Pb +mp-1229273,AsH25(ClO)10,-4.5838791929,-1.1614982529,0.003387063,0.003387063,GGA,Cc,AB10C25D10_mC184_9_a_10a_25a_10a:As-Cl-H-O,92.0,"Invalid WP multiplicities - AB10C25D10_mC184_9_a_15a_36a_15a:As-Cl-H-O, expected AsH36(ClO)15 to be AsH25(ClO)10" +mp-1212238,H2PbCl2O7,-4.9195223404,-0.8510228855,0.0105397648,0.0105397648,GGA,C2/c,A2B2C7D_mC48_15_f_f_e3f_e:Cl-H-O-Pb,24.0,A2B2C7D_mC48_15_f_f_e3f_e:Cl-H-O-Pb +mp-699229,HPb3ClO3,-5.3824185456,-1.4800097895,0.0002988407,0.0002988407,GGA,Pmc2_1,ABC3D3_oP32_26_ab_ab_ab2c_3a3b:Cl-H-O-Pb,32.0,ABC3D3_oP32_26_ab_ab_ab2c_3a3b:Cl-H-O-Pb +mp-1228828,AsHPbO4,-6.1562362386,-1.6489153293,0.0,-0.0100223921,GGA,Pc,ABC4D_mP14_7_a_a_4a_a:As-H-O-Pb,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_6a_a:As-H-O-Pb, expected AsHPbO6 to be AsHPbO4" +mp-504751,AsHPbO4,-6.1514934793,-1.64417257,0.0047427593,-0.0052796329,GGA,P2/c,ABC4D_mP14_13_e_a_2g_f:As-H-O-Pb,14.0,ABC4D_mP14_13_f_a_2g_e:As-H-O-Pb +mp-707734,AsHPb4(ClO)4,-5.1594901068,-1.5821090914,0.0,-0.0170765474,GGA,P2_1/c,AB4CD4E4_mP56_14_e_4e_e_4e_4e:As-Cl-H-O-Pb,56.0,AB4CD4E4_mP56_14_e_4e_e_4e_4e:As-Cl-H-O-Pb +mp-541977,Cs2NaFe(CN)6,-7.5702642022,-0.2593695927,0.0506440731,0.0506440731,GGA,P2_1/c,A6B2CD6E_mP32_14_3e_e_a_3e_d:C-Cs-Fe-N-Na,32.0,A6B2CD6E_mP32_14_3e_e_a_3e_b:C-Cs-Fe-N-Na +mp-17323,TbCu(BO2)5,-8.1945693462,-2.8064858911,0.0192885283,0.0192885283,GGA,Ibam,A5BC10D_oI68_72_bk_c_j2k_a:B-Cu-O-Tb,34.0,"Invalid WP multiplicities - A5BC10D_oI68_72_bk_c_3j5k_a:B-Cu-O-Tb, expected TbCuB5O26 to be TbCu(BO2)5" +mp-559927,Tb2Cu(BO2)8,-8.35130878,-2.9457498016,0.0180282125,0.0180282125,GGA,P2_1/c,A8BC16D2_mP54_14_4e_a_8e_e:B-Cu-O-Tb,54.0,"Invalid WP multiplicities - A8BC16D2_mP54_14_14e_a_31e_e:B-Cu-O-Tb, expected Tb2Cu(B14O31)2 to be Tb2Cu(BO2)8" +mp-1214548,Ba3Tb(BO2)9,-8.2786268466,-3.1319747931,0.0,-0.001828432,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Tb,62.0,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Tb +mp-1214316,BaTbCuBO5,-7.5456271389,-2.8716956903,0.0158548738,0.0158548738,GGA,P4bm,ABCD5E_tP18_100_b_a_b_b2c_a:B-Ba-Cu-O-Tb,18.0,ABCD5E_tP18_100_b_a_b_b2c_a:B-Ba-Cu-O-Tb +mp-504548,MnH4(ClO)2,-5.4643878,-1.4284577762,0.0064008386,0.0064008386,GGA+U,C2/m,A2B4CD2_mC18_12_i_j_a_g:Cl-H-Mn-O,9.0,A2B4CD2_mC18_12_i_j_a_g:Cl-H-Mn-O +mp-24385,MnH8(ClO2)2,-5.3401003215,-1.354256867,0.01947991,0.01947991,GGA+U,P2_1/c,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Mn-O,60.0,"Invalid WP multiplicities - A2B8CD4_mP60_14_2e_11e_e_4e:Cl-H-Mn-O, expected MnH11(ClO2)2 to be MnH8(ClO2)2" +mp-1238367,MnH8(ClO2)2,-5.0288116435,-1.042968189,0.330768588,0.330768588,GGA+U,P2_1/c,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Mn-O,60.0,A2B8CD4_mP60_14_2e_8e_e_4e:Cl-H-Mn-O +mp-1210569,Mn(HCl)2,-4.307453092,-0.3785449516,0.518464126,0.518464126,GGA,C2/m,A2B2C_mC10_12_i_g_a:Cl-H-Mn,5.0,A2B2C_mC10_12_i_g_a:Cl-H-Mn +mp-23928,RbMnH4Cl3O2,-5.1417607123,-1.5824478989,0.0,-0.0003140298,GGA+U,P-1,A3B4CD2E_aP22_2_3i_4i_i_2i_i:Cl-H-Mn-O-Rb,22.0,A3B4CD2E_aP22_2_3i_4i_i_2i_i:Cl-H-Mn-O-Rb +mp-1192289,MnH2Cl2O,-5.6097991475,-1.5112609119,0.0,-0.0661637975,GGA+U,Pnma,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-Mn-O,24.0,A2B2CD_oP24_62_2c_2c_c_c:Cl-H-Mn-O +mp-1516403,NaSrSmWO6,-7.881433066,-2.8445463281,0.0755267919,0.0755267919,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sm-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sm-Sr-W +mp-1517397,Sr2SmWO6,-8.1539674288,-3.0803838748,0.0505210555,0.0505210555,GGA+U,Pn-3,A6BC2D_cP40_201_h_b_ad_c:O-Sm-Sr-W,40.0,A6BC2D_cP40_201_h_b_ad_c:O-Sm-Sr-W +mp-1517558,Sr2SmWO6,-8.036098936,-2.9625153821,0.1683895483,0.1683895483,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-W,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-W +mp-675189,Ho7(CuTe4)3,-5.0710497318,-1.3394973309,0.0111148295,0.0111148295,GGA,P1,A3B7C12_aP22_1_3a_7a_12a:Cu-Ho-Te,22.0,A3B7C12_aP22_1_3a_7a_12a:Cu-Ho-Te +mp-1224142,Ho(CuTe)3,-4.4257168729,-0.6671530786000001,0.0409916207,0.0409916207,GGA,R-3,A3BC3_hR42_148_f_c_f:Cu-Ho-Te,14.0,A3BC3_hR42_148_f_c_f:Cu-Ho-Te +mp-1206626,HoCuTe2,-4.750064595,-1.0080077633,0.09275594,0.09275594,GGA,P-3m1,ABC2_hP4_164_a_b_d:Cu-Ho-Te,4.0,ABC2_hP4_164_a_b_d:Cu-Ho-Te +mp-1190440,Ho2CuTe2(SO7)2,-6.90756045,-2.2848376934,0.0154232011,0.0154232011,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Ho-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Ho-O-S-Te +mp-1519702,KCaEuFeO6,-7.170376732,-2.0180613215,0.1802445708,0.1802445708,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Eu-Fe-K-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Eu-Fe-K-O +mp-1190341,Nd2CoTe2(SO7)2,-7.1097210052,-2.3260178558,0.0,-0.0258718864,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Nd-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Nd-O-S-Te +mp-23653,Na3MgC2ClO6,-6.5205835856,-2.2472100592,0.0,-0.0135393379,GGA,Fd-3,A2BCD3E6_cF208_203_e_c_d_f_g:C-Cl-Mg-Na-O,52.0,A2BCD3E6_cF208_203_e_c_d_f_g:C-Cl-Mg-Na-O +mp-566231,Na3MgC2ClO6,-6.5085606231,-2.2351870967,0.0120229625,-0.0015163754,GGA,Fd-3m,A2BCD3E6_cF208_227_e_c_d_f_g:C-Cl-Mg-Na-O,52.0,A2BCD3E6_cF208_227_e_c_d_f_g:C-Cl-Mg-Na-O +mp-1196274,Mg2C3ClO15,-5.8545396433,-0.7623766002,0.7334531668000001,0.7334531668000001,GGA,R-3c,A3BC2D15_hR126_167_e_b_c_e2f:C-Cl-Mg-O,42.0,A3BC2D15_hR126_167_e_b_c_e2f:C-Cl-Mg-O +mp-6026,Na2Mg(CO3)2,-7.0182981918,-2.2562260201,0.0,-0.0101722456,GGA,R-3,A2BC2D6_hR33_148_c_a_c_f:C-Mg-Na-O,11.0,A2BC2D6_hR33_148_c_a_c_f:C-Mg-Na-O +mp-1039719,NaMg30CO32,-6.2297438348,-2.8414058498,0.1435167738,0.1435167738,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:C-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:C-Mg-Na-O, expected NaMg90CO80 to be NaMg30CO32" +mp-1039692,NaMg30CO32,-6.2218800059,-2.8335420208,0.1513806027,0.1513806027,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:C-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:C-Mg-Na-O, expected NaMg110CO72 to be NaMg30CO32" +mp-1034419,NaMg14CO16,-6.1331385581,-2.6299469686,0.2858579791,0.2858579791,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:C-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:C-Mg-Na-O, expected NaMg18CO20 to be NaMg14CO16" +mp-1034326,NaMg14CO16,-6.1135516503,-2.6103600608,0.3054448869,0.3054448869,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:C-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:C-Mg-Na-O, expected NaMg30CO32 to be NaMg14CO16" +mp-1224591,Mg2CClO7,-5.7563672598,-1.310496057,0.5228624288,0.5228624288,GGA,R3c,ABC2D7_hR198_161_b_b_2b_7b:C-Cl-Mg-O,66.0,ABC2D7_hR198_161_b_b_2b_7b:C-Cl-Mg-O +mp-1210184,Na6MgCl8,-3.7696266307,-2.148044958,0.0,-0.0072482427,GGA,Fm-3m,A8BC6_cF60_225_ce_a_d:Cl-Mg-Na,15.0,A8BC6_cF60_225_ce_a_d:Cl-Mg-Na +mp-1030667,NaMg6CO8,-5.8928562144,-2.1599574159,0.6176121800000001,0.6176121800000001,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:C-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:C-Mg-Na-O, expected NaMg6CO12 to be NaMg6CO8" +mp-1030675,NaMg6CO8,-5.9426912094,-2.2097924109,0.5677771850000001,0.5677771850000001,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:C-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:C-Mg-Na-O, expected NaMg6CO12 to be NaMg6CO8" +mp-1026713,NaMg14C,-1.8136336244,0.2460608435,0.2670032328,0.2670032328,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Na, expected NaMg18C to be NaMg14C" +mp-1026655,NaMg14C,-1.7523876075,0.3073068604,0.3282492497,0.3282492497,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Na, expected NaMg26C to be NaMg14C" +mp-28657,Na2MgCl4,-3.8312737571,-2.168491289,0.0131171848,0.0131171848,GGA,Pbam,A4BC2_oP14_55_gh_a_h:Cl-Mg-Na,14.0,A4BC2_oP14_55_gh_a_h:Cl-Mg-Na +mp-1017340,NaMg6C,-2.1123486712,0.4067602145,0.4247108339,0.4247108339,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Na, expected NaMg12C to be NaMg6C" +mp-1098256,NaMg6C,-2.154835875,0.3642730107,0.3822236302,0.3822236302,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Na,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Na +mp-731799,Mg2CClO6,-5.8620216055,-1.4662321535,0.5085150444000001,0.5085150444000001,GGA,P1,ABC2D6_aP60_1_6a_6a_12a_36a:C-Cl-Mg-O,60.0,ABC2D6_aP60_1_6a_6a_12a_36a:C-Cl-Mg-O +mp-1199407,Mg2CClO6,-5.8641369995,-1.4683475475,0.5063996504,0.5063996504,GGA,R3c,ABC2D6_hR180_161_b_b_2b_6b:C-Cl-Mg-O,60.0,ABC2D6_hR180_161_b_b_2b_6b:C-Cl-Mg-O +mp-1516478,KSrNdFeO6,-6.769022171,-2.19720284,0.144092088,0.144092088,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Fe-K-Nd-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Fe-K-Nd-O-Sr +mp-694249,Cr3Co2As2(CO)20,-7.8980012259,-0.7490416751000001,0.5351666479,0.5351666479,GGA+U,P-1,A2B20C2D3E20_aP94_2_2i_20i_2i_3i_20i:As-C-Co-Cr-O,94.0,A2B20C2D3E20_aP94_2_2i_20i_2i_3i_20i:As-C-Co-Cr-O +mp-1008277,CrCo2As,-7.12602294,0.0061774262,0.1563351337,0.1563351337,GGA,Fm-3m,AB2C_cF16_225_a_c_b:As-Co-Cr,4.0,AB2C_cF16_225_a_c_b:As-Co-Cr +mp-1206397,CrCoAs,-7.3094863122,-0.1693250889,0.0308851878,0.0308851878,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Co-Cr,9.0,ABC_hP9_189_ad_g_f:As-Co-Cr +mp-1516729,NaSmMnWO6,-8.241289453,-2.4571505312,0.1858178534,0.1858178534,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sm-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Sm-W +mp-1076889,La7SmV7CrO20,-8.7705988215,-2.8971321533000003,0.2518708882,0.2518708882,GGA+U,P1,AB7C20DE7_aP144_1_4a_28a_80a_4a_28a:Cr-La-O-Sm-V,144.0,AB7C20DE7_aP144_1_4a_28a_80a_4a_28a:Cr-La-O-Sm-V +mp-1076253,La6Sm2V5Cr3O24,-8.9124758138,-3.1086653955,0.1340079206,0.1340079206,GGA+U,Pm,A3B6C24D2E5_mP40_6_2ab_3c_8a8b4c_c_2a3b:Cr-La-O-Sm-V,40.0,A3B6C24D2E5_mP40_6_2ab_3c_8a8b4c_c_2a3b:Cr-La-O-Sm-V +mp-1076338,La3SmV3CrO12,-8.9071980547,-3.1176161715,0.1353920329,0.1353920329,GGA+U,Pma2,AB3C12DE3_oP40_28_c_a2b_8c2d_a_3c:Cr-La-O-Sm-V,40.0,"Invalid WP multiplicities - AB3C12DE3_oP40_28_c_a2b_12c4d_a_6c:Cr-La-O-Sm-V, expected La3SmV6CrO20 to be La3SmV3CrO12" +mp-1076218,La3SmV2Cr2O12,-8.918072411,-3.1000334577,0.13230497,0.13230497,GGA+U,Pmm2,A2B3C12DE2_oP20_25_e_b2d_2a2c2e2f_b_e:Cr-La-O-Sm-V,20.0,"Invalid WP multiplicities - A2B3C12DE2_oP20_25_e_b2d_2a2c4e4f_b_e:Cr-La-O-Sm-V, expected La3SmV2Cr2O20 to be La3SmV2Cr2O12" +mp-1076766,La5Sm3VCr7O20,-8.8024373926,-2.8461927672,0.2478598644,0.2478598644,GGA+U,P1,A7B5C20D3E_aP144_1_28a_20a_80a_12a_4a:Cr-La-O-Sm-V,144.0,A7B5C20D3E_aP144_1_28a_20a_80a_12a_4a:Cr-La-O-Sm-V +mp-1076679,La7SmV7CrO24,-8.9241639515,-3.143375079,0.1231619368,0.1231619368,GGA+U,R3m,AB7C24DE7_hR120_160_a_a2b_4b2c_a_a2b:Cr-La-O-Sm-V,40.0,"Invalid WP multiplicities - AB7C24DE7_hR120_160_a_a4b_12b11c_a_a6b:Cr-La-O-Sm-V, expected La13SmV19CrO102 to be La7SmV7CrO24" +mp-1099931,La6Sm2V5Cr3O20,-8.7738148762,-2.8747687127,0.2669640712,0.2669640712,GGA+U,P1,A3B6C20D2E5_aP144_1_12a_24a_80a_8a_20a:Cr-La-O-Sm-V,144.0,A3B6C20D2E5_aP144_1_12a_24a_80a_8a_20a:Cr-La-O-Sm-V +mp-1076879,La5Sm3V2Cr6O20,-8.7964569667,-2.8560218247,0.2495140161,0.2495140161,GGA+U,P1,A6B5C20D3E2_aP144_1_24a_20a_80a_12a_8a:Cr-La-O-Sm-V,144.0,A6B5C20D3E2_aP144_1_24a_20a_80a_12a_8a:Cr-La-O-Sm-V +mp-1099885,La3SmV2Cr2O10,-8.7834341185,-2.8685784717,0.261671103,0.261671103,GGA+U,P1,A2B3C10DE2_aP144_1_16a_24a_80a_8a_16a:Cr-La-O-Sm-V,144.0,A2B3C10DE2_aP144_1_16a_24a_80a_8a_16a:Cr-La-O-Sm-V +mp-1099675,La5Sm3V2Cr6O24,-8.9121022708,-3.0710417718,0.1374329562,0.1374329562,GGA+U,Amm2,A6B5C24D3E2_oC80_38_cf_a2be_2a2bde4f_ad_c:Cr-La-O-Sm-V,40.0,"Invalid WP multiplicities - A6B5C24D3E2_oC80_38_2c2f_a2b2e_2a2bde16f_a2d_c:Cr-La-O-Sm-V, expected La7Sm5V2Cr12O72 to be La5Sm3V2Cr6O24" +mp-1099724,La5Sm3VCr7O24,-8.9193767387,-3.0640877047,0.1340521349,0.1340521349,GGA+U,Cm,A7B5C24D3E_mC80_8_3a2b_3ab_4a10b_ab_a:Cr-La-O-Sm-V,40.0,"Invalid WP multiplicities - A7B5C24D3E_mC80_8_3a2b_3a2b_4a18b_a2b_a:Cr-La-O-Sm-V, expected La7Sm5VCr7O40 to be La5Sm3VCr7O24" +mp-1076584,La6Sm2V3Cr5O24,-8.928322503,-3.0960550148,0.1259485247,0.1259485247,GGA+U,Pm,A5B6C24D2E3_mP40_6_2a3b_3c_8a8b4c_c_2ab:Cr-La-O-Sm-V,40.0,A5B6C24D2E3_mP40_6_2a3b_3c_8a8b4c_c_2ab:Cr-La-O-Sm-V +mp-1076878,La7SmV8O20,-8.7673126033,-2.9096554185,0.2367516733,0.2367516733,GGA+U,P1,A7B20CD8_aP144_1_28a_80a_4a_32a:La-O-Sm-V,144.0,A7B20CD8_aP144_1_28a_80a_4a_32a:La-O-Sm-V +mp-1076131,La7SmV8O24,-8.913031199,-3.1464708615,0.1298985481,0.1298985481,GGA+U,Pm-3m,A7B24CD8_cP40_221_acd_ij_b_g:La-O-Sm-V,40.0,"Invalid WP multiplicities - A7B24CD8_cP40_221_a2c2d_7i6j_b_g:La-O-Sm-V, expected La13SmV8O156 to be La7SmV8O24" +mp-1214911,AsXe(OF2)3,-3.8946956566,-1.0761290644,0.3523202162,0.3523202162,GGA,P2_12_12_1,AB6C3D_oP44_19_a_6a_3a_a:As-F-O-Xe,44.0,AB6C3D_oP44_19_a_6a_3a_a:As-F-O-Xe +mp-1214817,AsXe2OF10,-3.3449107861,-1.2882718481,0.1708234138,0.1708234138,GGA,I4/mcm,AB10CD2_tI56_140_c_fkl_d_e:As-F-O-Xe,28.0,AB10CD2_tI56_140_c_fkl_d_e:As-F-O-Xe +mp-1199259,AsXe2BrOF12,-3.4981137562,-1.4881766152,0.0,-0.0095522517,GGA,P2_1/c,ABC12DE2_mP68_14_e_e_12e_e_2e:As-Br-F-O-Xe,68.0,ABC12DE2_mP68_14_e_e_12e_e_2e:As-Br-F-O-Xe +mp-672342,AsXe2O4F9,-3.5002951194,-0.8926993508000001,0.3228590141,0.3228590141,GGA,P2_1/c,AB9C4D2_mP64_14_e_9e_4e_2e:As-F-O-Xe,64.0,"Invalid WP multiplicities - AB9C4D2_mP64_14_e_36e_10e_6e:As-F-O-Xe, expected AsXe6(O5F18)2 to be AsXe2O4F9" +mp-1228850,AsXeO2F7,-3.8542426386,-1.311604205,0.2410979643,0.2410979643,GGA,P2_12_12_1,AB7C2D_oP44_19_a_7a_2a_a:As-F-O-Xe,44.0,AB7C2D_oP44_19_a_7a_2a_a:As-F-O-Xe +mp-1204734,V2Pb2Se2O11,-6.9336600309000005,-1.8161009098,0.0029788048,0.0029788048,GGA+U,P-1,A11B2C2D2_aP34_2_11i_2i_2i_2i:O-Pb-Se-V,34.0,A11B2C2D2_aP34_2_11i_2i_2i_2i:O-Pb-Se-V +mp-1203641,V2Pb4(Se2O7)3,-6.3882398585,-1.6041691851,0.0,-0.0036179097,GGA+U,Fdd2,A21B4C6D2_oF264_43_a10b_2b_3b_b:O-Pb-Se-V,66.0,A21B4C6D2_oF264_43_a10b_2b_3b_b:O-Pb-Se-V +mp-1192566,VPb2Se2ClO8,-6.3022048132,-1.664842705,0.0,-6.00072e-05,GGA+U,P2_1,AB8C2D2E_mP28_4_a_8a_2a_2a_a:Cl-O-Pb-Se-V,28.0,AB8C2D2E_mP28_4_a_8a_2a_2a_a:Cl-O-Pb-Se-V +mp-1195841,VPb2Se3O10,-6.3976437719,-1.6186549122,0.0,-0.0164077239,GGA+U,P2_1/c,A10B2C3D_mP64_14_10e_2e_3e_e:O-Pb-Se-V,64.0,A10B2C3D_mP64_14_10e_2e_3e_e:O-Pb-Se-V +mp-1048546,V3Se2ClO8,-7.14592692,-1.7412420975,0.1896909051,0.1896909051,GGA+U,P-1,AB8C2D3_aP28_2_i_8i_2i_abdfi:Cl-O-Se-V,28.0,"Invalid WP multiplicities - AB8C2D3_aP28_2_i_15i_2i_abdfi:Cl-O-Se-V, expected V3Se2ClO15 to be V3Se2ClO8" +mp-29885,Ni10SnP3,-6.0070599048,-0.4319994637,0.0,-0.0105518134,GGA,P-3m1,A10B3C_hP42_164_c2dh3i_ei_ad:Ni-P-Sn,42.0,"Invalid WP multiplicities - A10B3C_hP42_164_2c2d2h5i_e2i_ad:Ni-P-Sn, expected Ni50(SnP5)3 to be Ni10SnP3" +mp-1043492,ZnSn2(PO5)2,-6.8478216173,-2.2096629876,0.1619490909,0.1619490909,GGA,Fdd2,A10B2C2D_oF120_43_5b_b_b_a:O-P-Sn-Zn,30.0,"Invalid WP multiplicities - A10B2C2D_oF120_43_14b_b_b_a:O-P-Sn-Zn, expected ZnSn2(PO14)2 to be ZnSn2(PO5)2" +mp-1215429,ZnSnP2,-4.2112369475,-0.1872568279,0.0038316688,-0.0008951522,GGA,P-4m2,A2BC_tP4_115_g_a_c:P-Sn-Zn,4.0,A2BC_tP4_115_g_a_c:P-Sn-Zn +mp-4175,ZnSnP2,-4.2150686162,-0.1910884967,0.0,-0.0047268209,GGA,I-42d,A2BC_tI16_122_d_a_b:P-Sn-Zn,8.0,A2BC_tI16_122_d_a_b:P-Sn-Zn +mp-504909,Ni2SnP,-5.6426544681,-0.3968675377,0.0,-0.0178106687,GGA,Pnma,A2BC_oP16_62_2c_c_c:Ni-P-Sn,16.0,A2BC_oP16_62_2c_c_c:Ni-P-Sn +mp-1041233,ZnSn3P3O13,-6.8981335963,-2.2063675992,0.1609028815,0.1609028815,GGA,P2_1/m,A13B3C3D_mP40_11_7e3f_3e_a2e_e:O-P-Sn-Zn,40.0,"Invalid WP multiplicities - A13B3C3D_mP40_11_12e11f_3e_2a3e_e:O-P-Sn-Zn, expected ZnSn5P3O34 to be ZnSn3P3O13" +mp-510445,Ni10Sn5P3,-5.6109582136,-0.383784125,0.0,-0.0067420569,GGA,P-1,A10B3C5_aP36_2_be9i_3i_5i:Ni-P-Sn,36.0,"Invalid WP multiplicities - A10B3C5_aP36_2_be17i_6i_8i:Ni-P-Sn, expected Ni9Sn4P3 to be Ni10Sn5P3" +mp-757910,NiSn(PO4)2,-7.3282547092,-2.312436106,0.0304445981,0.0304445981,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Sn,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Sn +mp-1044247,NiSnP2O9,-7.0214248237,-2.0109239045,0.151735207,0.151735207,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Sn,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Sn +mp-568562,Ni21(SnP3)2,-5.9987716266,-0.416639591,0.0004633394,0.0004633394,GGA,Fm-3m,A21B6C2_cF116_225_afh_e_c:Ni-P-Sn,29.0,"Invalid WP multiplicities - A21B6C2_cF116_225_a5f5h_e_c:Ni-P-Sn, expected Ni101(SnP3)2 to be Ni21(SnP3)2" +mp-1198754,ZnSnP14,-5.1133017691,-0.0473298592,0.0039123005,0.0039123005,GGA,Pnma,A14BC_oP64_62_4c5d_c_c:P-Sn-Zn,64.0,A14BC_oP64_62_4c5d_c_c:P-Sn-Zn +mp-683937,Ni13Sn8P3,-5.499029752,-0.3549356186,0.0,-0.0069385313,GGA,P-1,A13B3C8_aP96_2_ae25i_6i_16i:Ni-P-Sn,96.0,"Invalid WP multiplicities - A13B3C8_aP96_2_ae48i_11i_31i:Ni-P-Sn, expected Ni49Sn31P11 to be Ni13Sn8P3" +mp-1331541,ZnSn2(PO4)2,-6.8348611177,-2.2441686544,0.0789120629,0.0789120629,GGA,P-1,A8B2C2D_aP52_2_16i_4i_be3i_2i:O-P-Sn-Zn,52.0,"Invalid WP multiplicities - A8B2C2D_aP52_2_32i_7i_be5i_3i:O-P-Sn-Zn, expected Zn3Sn6P7O32 to be ZnSn2(PO4)2" +mp-1044764,ZnSn2(PO4)2,-6.8428806546,-2.2521881913,0.070892526,0.070892526,GGA,C2/c,A8B2C2D_mC104_15_8f_2f_cef_f:O-P-Sn-Zn,52.0,"Invalid WP multiplicities - A8B2C2D_mC104_15_30f_6f_2ce2f_f:O-P-Sn-Zn, expected Zn2Sn7(PO5)12 to be ZnSn2(PO4)2" +mp-756765,NiSn3(PO4)4,-7.2314046267,-2.2893595578,0.0869386577,0.0869386577,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Ni-O-P-Sn,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Ni-O-P-Sn +mp-1376498,ZnSnP2O7,-6.982535075,-2.3713767607,0.0307911187,0.0307911187,GGA,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-Sn-Zn,22.0,A7B2CD_aP22_2_7i_2i_i_i:O-P-Sn-Zn +mp-1041714,ZnSnP2O7,-6.9567707464,-2.3456124321000003,0.0565554473,0.0565554473,GGA,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-Sn-Zn,22.0,"Invalid WP multiplicities - A7B2CD_aP22_2_8i_2i_i_i:O-P-Sn-Zn, expected ZnSn(PO4)2 to be ZnSnP2O7" +mp-1047992,ZnSnP2O7,-6.9738877373,-2.362729423,0.0394384564,0.0394384564,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Sn-Zn,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_23e_7e_e_e:O-P-Sn-Zn, expected ZnSnP7O23 to be ZnSnP2O7" +mp-1040851,ZnSn2P2O9,-6.836469145,-2.2203483782,0.1287312826,0.1287312826,GGA,Pnma,A9B2C2D_oP56_62_5c2d_2c_ac_c:O-P-Sn-Zn,56.0,"Invalid WP multiplicities - A9B2C2D_oP56_62_7c2d_2c_ac_c:O-P-Sn-Zn, expected ZnSn2P2O11 to be ZnSn2P2O9" +mp-1043346,ZnNiSnP2O9,-6.9710652445,-2.2284755616,0.0633169366,0.0633169366,GGA+U,Pnma,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-Sn-Zn,56.0,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-Sn-Zn +mp-1047501,ZnSn3(P2O7)2,-7.0422492889,-2.3060987816000003,0.0801479903,0.0801479903,GGA,P2_1/c,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-Sn-Zn,44.0,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-Sn-Zn +mp-774257,Ni3Sn(PO4)4,-7.2036631721,-2.1140710345,0.0834310778,0.0834310778,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Sn,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-Sn +mp-1045577,ZnSn(PO3)4,-7.201855635,-2.4083673002,0.0526537511,0.0526537511,GGA,C2/c,A12B4CD_mC72_15_6f_2f_c_e:O-P-Sn-Zn,36.0,A12B4CD_mC72_15_6f_2f_c_e:O-P-Sn-Zn +mp-1046824,Sr2YAlCo2O7,-7.4725868269,-2.6699337178,0.1406383782,0.1406383782,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Co-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Co-O-Sr-Y +mp-1517709,Sr2DyVO6,-7.834932403,-3.1599511946,0.1129303185,0.1129303185,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Dy-O-Sr-V +mp-1520124,BaDyV4O12,-8.2639847683,-2.5850041797000003,0.2464659827,0.2464659827,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Dy-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Dy-O-V, expected BaDyV4O16 to be BaDyV4O12" +mp-1214963,Ba2DyV3O11,-8.3061996968,-3.0056096524,0.0196247001,0.0196247001,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Dy-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Dy-O-V +mp-1519466,SrDyV4O12,-8.3214481794,-2.6552165623,0.167521461,0.167521461,GGA+U,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:Dy-O-Sr-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:Dy-O-Sr-V, expected SrDyV4O18 to be SrDyV4O12" +mp-1516351,BaSrDyVO6,-7.862343327,-3.1644139699,0.1086693335,0.1086693335,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Dy-O-Sr-V +mp-1222156,Mn5Cu(PO4)4,-8.2191895812,-2.4226698682,0.0164943206,0.0164943206,GGA+U,P2_1,AB5C16D4_mP52_4_a_5a_16a_4a:Cu-Mn-O-P,52.0,AB5C16D4_mP52_4_a_5a_16a_4a:Cu-Mn-O-P +mp-773506,Mn5Cu(PO4)6,-7.8823651661,-2.2959866317,0.0550539201,0.0550539201,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Cu-Mn-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Cu-Mn-O-P, expected Mn5Cu(PO10)6 to be Mn5Cu(PO4)6" +mp-775025,MnCu(PO4)2,-7.4642596404,-2.1591482516,0.0074821582,0.0074821582,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cu-Mn-O-P,24.0,ABC8D2_mP24_11_e_e_4e2f_2e:Cu-Mn-O-P +mp-1176461,MnCu(PO4)2,-7.4040136706,-2.0989022818,0.0677281281,0.0677281281,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Cu-Mn-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Cu-Mn-O-P, expected MnCu(PO10)2 to be MnCu(PO4)2" +mp-2215927,Mn2Cu(PO4)3,-7.6495392631,-2.2037943014,0.0550411794,0.0550411794,GGA+U,P-1,AB2C12D3_aP36_2_bd_2i_12i_3i:Cu-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_bd_3i_23i_5i:Cu-Mn-O-P, expected Mn3CuP5O23 to be Mn2Cu(PO4)3" +mp-773721,Mn2Cu(PO4)3,-7.6467005956,-2.2009556339,0.0578798469,0.0578798469,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Cu-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Cu-Mn-O-P, expected Mn2Cu(PO26)3 to be Mn2Cu(PO4)3" +mp-1176532,Mn7Cu(PO4)12,-7.5826254947,-2.1321254663,0.0842401912,0.0842401912,GGA+U,P1,AB7C48D12_aP68_1_a_7a_48a_12a:Cu-Mn-O-P,68.0,AB7C48D12_aP68_1_a_7a_48a_12a:Cu-Mn-O-P +mp-1197083,MnCu2P2O9,-7.1090367445,-1.9156630268,0.0950899559,0.0950899559,GGA+U,P2_1/c,A2BC9D2_mP56_14_2e_e_9e_2e:Cu-Mn-O-P,56.0,A2BC9D2_mP56_14_2e_e_9e_2e:Cu-Mn-O-P +mp-775168,MnCu3(PO4)4,-7.0809682029,-1.9868071734,0.0390922352,0.0390922352,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Mn-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cu-Mn-O-P +mp-756349,Mn3Cu(PO4)4,-7.8043853775,-2.2883236295,0.0166143868,0.0166143868,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cu-Mn-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cu-Mn-O-P +mp-758255,Li4Co3Cu3(WO8)2,-6.8905928596,-1.664823406,0.0711743862,0.0711743862,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cu-Li-O-W,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cu-Li-O-W, expected Li4Co3Cu3(WO10)2 to be Li4Co3Cu3(WO8)2" +mp-555526,RbAg(NO3)2,-6.075092199,-1.0584709797,0.0,-0.0054344285,GGA,P2_1/c,AB2C6D_mP40_14_e_2e_6e_e:Ag-N-O-Rb,40.0,"Invalid WP multiplicities - AB2C6D_mP40_14_e_6e_23e_e:Ag-N-O-Rb, expected RbAgN6O23 to be RbAg(NO3)2" +mp-1195817,Ag2Pd(NO2)4,-6.1708450295,-0.5865461491,0.0445298035,0.0445298035,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_e:Ag-N-O-Pd,60.0,A2B4C8D_mP60_14_2e_4e_8e_e:Ag-N-O-Pd +mp-558305,Rb2Ag4Pd3(NO2)12,-6.2616809984,-0.7596942038000001,0.0435227231,0.0435227231,GGA,P2_1/c,A4B12C24D3E2_mP90_14_2e_6e_12e_ae_e:Ag-N-O-Pd-Rb,90.0,"Invalid WP multiplicities - A4B12C24D3E2_mP90_14_5e_23e_44e_2a2e_e:Ag-N-O-Pd-Rb, expected RbAg5Pd3N23O44 to be Rb2Ag4Pd3(NO2)12" +mp-756064,Li4FeTe(WO6)2,-7.2844591365,-2.0581819583,0.0701144115,0.0701144115,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-Te-W,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-Te-W +mp-1569036,Li4FeTe(WO6)2,-7.3017261532,-2.075448975,0.0528473948,0.0528473948,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W +mp-1642086,Li4FeTe(WO6)2,-7.2932114605,-2.0669342823,0.0613620875,0.0613620875,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W +mp-1643984,Li4FeTe(WO6)2,-7.2997499245,-2.0734727463,0.0548236235,0.0548236235,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W +mp-1643680,Li4FeTe(WO6)2,-7.292388459,-2.0661112808,0.062185089,0.062185089,GGA+U,P1,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W,40.0,AB4C12DE2_aP40_1_2a_8a_24a_2a_4a:Fe-Li-O-Te-W +mp-775176,Li4FeTe2WO12,-6.650646934,-1.9151109726,0.0722965039,0.0722965039,GGA+U,P1,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Fe-Li-O-Te-W,20.0,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Fe-Li-O-Te-W +mp-754090,Li4Fe2TeWO12,-6.8509451945,-1.8490734672,0.0850790995,0.0850790995,GGA+U,P1,A2B4C12DE_aP20_1_2a_4a_12a_a_a:Fe-Li-O-Te-W,20.0,A2B4C12DE_aP20_1_2a_4a_12a_a_a:Fe-Li-O-Te-W +mp-731886,PtN4(ClO)2,-5.1785103911,0.7112189158000001,1.2205092736,1.2205092736,GGA,C2/m,A2B4C2D_mC18_12_i_j_i_a:Cl-N-O-Pt,9.0,A2B4C2D_mC18_12_i_j_i_a:Cl-N-O-Pt +mp-1078956,PtN4Cl2O,-3.7210554025,2.2865539789,2.7306690613,2.7306690613,GGA,P4/mmm,A2B4CD_tP8_123_e_j_b_c:Cl-N-O-Pt,8.0,A2B4CD_tP8_123_e_j_b_c:Cl-N-O-Pt +mp-726756,PtN4(Cl2O)2,-5.3865021091,-0.2315351016,0.283473444,0.283473444,GGA,P2_1/c,A4B4C2D_mP22_14_2e_2e_e_a:Cl-N-O-Pt,22.0,A4B4C2D_mP22_14_2e_2e_e_a:Cl-N-O-Pt +mp-1104080,Re2Pt(NO2)4,-7.3977726133,-0.472460808,0.8524107787,0.8524107787,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Re,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Re +mp-1104859,Re2Pt(NO2)4,-7.2939314887,-0.3686196833,0.9562519033,0.9562519033,GGA,P-1,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Re,15.0,A4B8CD2_aP15_2_2i_4i_a_i:N-O-Pt-Re +mp-1190991,RePt(N2Cl3)2,-4.6019117404,0.64415994,1.3072066009,1.3072066009,GGA,Cmce,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Pt-Re,24.0,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Pt-Re +mp-647116,ReNCl4O3,-5.9101116332,-1.1306410906,0.0042770176,0.0042770176,GGA,P2_1/c,A4BC3D_mP72_14_8e_2e_6e_2e:Cl-N-O-Re,72.0,"Invalid WP multiplicities - A4BC3D_mP72_14_30e_6e_23e_6e:Cl-N-O-Re, expected Re6N6Cl30O23 to be ReNCl4O3" +mp-1179942,PtN4Cl5O,-4.3944088684,0.4789079526,0.9002171745,0.9002171745,GGA,P2_1/c,A5B4CD_mP44_14_5e_4e_e_e:Cl-N-O-Pt,44.0,A5B4CD_mP44_14_5e_4e_e_e:Cl-N-O-Pt +mp-1199565,PtN4Cl5O,-4.4654183652,0.4078984558,0.8292076777,0.8292076777,GGA,P2_1/c,A5B4CD_mP44_14_5e_4e_e_e:Cl-N-O-Pt,44.0,A5B4CD_mP44_14_5e_4e_e_e:Cl-N-O-Pt +mp-1179899,PtN2(ClO)2,-5.0694990611,0.121154355,0.7759562436,0.7759562436,GGA,P4_2/nmc,A2B2C2D_tP28_137_g_g_g_c:Cl-N-O-Pt,28.0,A2B2C2D_tP28_137_g_g_g_c:Cl-N-O-Pt +mp-1193012,PtN2(ClO)2,-4.7281804154,0.4624730007,1.1172748893,1.1172748893,GGA,P4_2/nmc,A2B2C2D_tP28_137_g_g_g_d:Cl-N-O-Pt,28.0,A2B2C2D_tP28_137_g_g_g_d:Cl-N-O-Pt +mp-1193285,PtN2(ClO)2,-4.7254071564,0.4652462596,1.1200481483,1.1200481483,GGA,P4_2/nmc,A2B2C2D_tP28_137_g_g_g_c:Cl-N-O-Pt,28.0,A2B2C2D_tP28_137_g_g_g_c:Cl-N-O-Pt +mp-1199902,RePtN5Cl8O,-4.7229545055,0.2728653146,1.0056038971,1.0056038971,GGA,Pnma,A8B5CDE_oP64_62_4c2d_c2d_c_c_c:Cl-N-O-Pt-Re,64.0,A8B5CDE_oP64_62_4c2d_c2d_c_c_c:Cl-N-O-Pt-Re +mp-555459,CeTl5Cu2(NO2)12,-6.3862753307,-0.8248392762000001,0.2130451491,0.2130451491,GGA,Pn-3,AB2C12D24E5_cP88_201_a_b_h_2h_cd:Ce-Cu-N-O-Tl,88.0,"Invalid WP multiplicities - AB2C12D24E5_cP88_201_a_b_h_26h_3c3d:Ce-Cu-N-O-Tl, expected CeTl15Cu2(NO26)12 to be CeTl5Cu2(NO2)12" +mp-12422,CoHgC4(SeN)4,-6.4808519457,0.0660256072,0.260320872,0.260320872,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Co-Hg-N-Se,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Co-Hg-N-Se +mp-1516282,KCaLaSeO6,-6.522188639,-2.3993836713,0.1675734691,0.1675734691,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-K-La-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-K-La-O-Se +mp-1520310,KSmHfSnO6,-7.89598192,-2.9483940965,0.1844815248,0.1844815248,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Sm-Sn,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Sm-Sn +mp-562105,Rb5CeCo2(NO2)12,-6.6324992134,-1.0913432298,0.2368308912,0.2368308912,GGA+U,Pn-3,AB2C12D24E5_cP88_201_a_b_h_2h_cd:Ce-Co-N-O-Rb,88.0,"Invalid WP multiplicities - AB2C12D24E5_cP88_201_a_b_h_26h_3c3d:Ce-Co-N-O-Rb, expected Rb15CeCo2(NO26)12 to be Rb5CeCo2(NO2)12" +mp-1028456,TeWSe,-7.1191407075,-0.5866915072000001,0.0430142317,0.0430142317,GGA,P3m1,ABC_hP12_156_4a_4b_2a2b:Se-Te-W,12.0,ABC_hP12_156_4a_4b_2a2b:Se-Te-W +mp-1028749,TeWSe,-7.1189955758,-0.5865463755,0.0431593633,0.0431593633,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:Se-Te-W,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:Se-Te-W +mp-1023943,TeWSe,-7.1185235233,-0.5860743230000001,0.0436314158,0.0436314158,GGA,P3m1,ABC_hP6_156_2a_2b_ab:Se-Te-W,6.0,ABC_hP6_156_2a_2b_ab:Se-Te-W +mp-1028459,TeWSe,-7.1186934458,-0.5862442455,0.0434614933,0.0434614933,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Se-Te-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:Se-Te-W, expected Te2W3Se2 to be TeWSe" +mp-1028589,TeWSe,-7.1190541083,-0.5866049080000001,0.0431008308,0.0431008308,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Se-Te-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:Se-Te-W, expected Te2W3Se2 to be TeWSe" +mp-1028731,TeW2Se3,-7.2424028033,-0.6511860056000001,0.0997726037,0.0997726037,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:Se-Te-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:Se-Te-W +mp-1028762,TeW2Se3,-7.2422427308,-0.6510259331,0.0999326763,0.0999326763,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:Se-Te-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:Se-Te-W +mp-1217319,TeW2Se3,-7.24393355,-0.6527167523,0.0982418571,0.0982418571,GGA,P3m1,A3BC2_hP6_156_a2b_a_ab:Se-Te-W,6.0,A3BC2_hP6_156_a2b_a_ab:Se-Te-W +mp-1028452,Te3W2Se,-6.9401502067,-0.4664686037,0.0419842646,0.0419842646,GGA,P3m1,AB3C2_hP12_156_2a_2a4b_2a2b:Se-Te-W,12.0,AB3C2_hP12_156_2a_2a4b_2a2b:Se-Te-W +mp-1028598,Te3W2Se,-6.9403558183000005,-0.4666742154,0.0417786529,0.0417786529,GGA,P3m1,AB3C2_hP12_156_2a_2a4b_2a2b:Se-Te-W,12.0,AB3C2_hP12_156_2a_2a4b_2a2b:Se-Te-W +mp-556693,Te3W2Se4(Cl4O)2,-4.9504004292,-1.0550586001,0.0490346802,0.0490346802,GGA+U,Cc,A8B2C4D3E2_mC76_9_8a_2a_4a_3a_2a:Cl-O-Se-Te-W,38.0,"Invalid WP multiplicities - A8B2C4D3E2_mC76_9_14a_4a_8a_6a_3a:Cl-O-Se-Te-W, expected Te6W3Se8(Cl7O2)2 to be Te3W2Se4(Cl4O)2" +mp-1026350,Te4W3Se2,-6.9979104444,-0.5046396424,0.0442308494,0.0442308494,GGA,P3m1,A2B4C3_hP9_156_2a_2a2b_a2b:Se-Te-W,9.0,A2B4C3_hP9_156_2a_2a2b_a2b:Se-Te-W +mp-1026356,Te4W3Se2,-6.9980395444,-0.5047687424,0.0441017494,0.0441017494,GGA,P-6m2,A2B4C3_hP9_187_h_2g_ah:Se-Te-W,9.0,"Invalid WP multiplicities - A2B4C3_hP9_187_h_3g_ah:Se-Te-W, expected Te6W3Se2 to be Te4W3Se2" +mp-1026348,Te2W3Se4,-7.24641628,-0.6747886814,0.0357523044,0.0357523044,GGA,P3m1,A4B2C3_hP9_156_2a2b_2a_a2b:Se-Te-W,9.0,A4B2C3_hP9_156_2a2b_2a_a2b:Se-Te-W +mp-1026349,Te2W3Se4,-7.2461410789,-0.6745134803,0.0360275056,0.0360275056,GGA,P-6m2,A4B2C3_hP9_187_2g_h_ah:Se-Te-W,9.0,"Invalid WP multiplicities - A4B2C3_hP9_187_3g_h_ah:Se-Te-W, expected Te2(WSe2)3 to be Te2W3Se4" +mp-23894,LiAs(HO2)2,-5.8627072256,-1.7201761998,0.0028433253,0.0028433253,GGA,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:As-H-Li-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_33_a_2a_a_10a:As-H-Li-O, expected LiAs(HO5)2 to be LiAs(HO2)2" +mp-9124,LiZnAs,-3.1311206467,-0.5218590194,0.0,-0.1232329861,GGA,F-43m,ABC_cF12_216_c_a_b:As-Li-Zn,3.0,ABC_cF12_216_c_a_b:As-Li-Zn +mp-1192746,LiAs2H3O7,-5.9548442654,-1.6446782046,0.0,-0.0079141245,GGA,C2/m,A2B3CD7_mC52_12_gi_ij_h_3i2j:As-H-Li-O,26.0,A2B3CD7_mC52_12_gi_ij_h_3i2j:As-H-Li-O +mp-18048,LiZnAsO4,-5.9464107919,-2.0014765452,0.0,-0.0377213381,GGA,R3,ABC4D_hR126_146_2b_2b_8b_2b:As-Li-O-Zn,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_2b_3b_10b_2b:As-Li-O-Zn, expected Li3Zn2(AsO5)2 to be LiZnAsO4" +mp-774651,LiZnAsH2O5,-5.6984610943,-1.7637930415,0.0218567463,0.0218567463,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:As-H-Li-O-Zn,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:As-H-Li-O-Zn, expected LiZnAsH5O17 to be LiZnAsH2O5" +mp-1203426,LiZnAsO5,-5.5301344997,-1.4599809449,0.2913110321,0.2913110321,GGA,Pna2_1,ABC5D_oP32_33_a_a_5a_a:As-Li-O-Zn,32.0,ABC5D_oP32_33_a_a_5a_a:As-Li-O-Zn +mp-1203059,LiAs3H2O9,-6.1411650928,-1.6617031880000002,0.0,-0.0048107633,GGA,P2_1/c,A3B2CD9_mP60_14_3e_2e_e_9e:As-H-Li-O,60.0,A3B2CD9_mP60_14_3e_2e_e_9e:As-H-Li-O +mp-560018,GdCu(MoO4)2,-8.8853809484,-2.2653693801,0.0123861874,0.0123861874,GGA+U,Pbca,ABC2D8_oP96_61_c_c_2c_8c:Cu-Gd-Mo-O,96.0,"Invalid WP multiplicities - ABC2D8_oP96_61_c_c_10c_47c:Cu-Gd-Mo-O, expected GdCuMo10O47 to be GdCu(MoO4)2" +mp-698120,KGd2Cu(MoO4)4,-8.8761511113,-2.380673198,0.0251010089,0.0251010089,GGA+U,C2/c,AB2CD4E16_mC96_15_e_f_e_2f_8f:Cu-Gd-K-Mo-O,48.0,"Invalid WP multiplicities - AB2CD4E16_mC96_15_e_f_e_5f_31f:Cu-Gd-K-Mo-O, expected KGd2Cu(Mo5O31)2 to be KGd2Cu(MoO4)4" +mp-1040450,Li5P(S2Cl)2,-4.4190014317,-1.4856022960000002,0.0150512402,0.0150512402,GGA,Amm2,A2B5CD4_oC24_38_d_af_b_ce:Cl-Li-P-S,12.0,A2B5CD4_oC24_38_d_af_b_ce:Cl-Li-P-S +mp-985592,Li6PS5Cl,-4.3517177592,-1.3211311668,0.0823535698,0.0823535698,GGA,F-43m,AB6CD5_cF52_216_a_g_b_ce:Cl-Li-P-S,13.0,AB6CD5_cF52_216_a_g_b_ce:Cl-Li-P-S +mp-1040451,Li20Si3P3S23Cl,-4.6225459814,-1.2689219306,0.0351776061,0.0351776061,GGA,Pm,AB20C3D23E3_mP50_6_a_2a2b8c_a2b_5a6b6c_2ab:Cl-Li-P-S-Si,50.0,"Invalid WP multiplicities - AB20C3D23E3_mP50_6_a_2a2b16c_a2b_5a6b6c_2ab:Cl-Li-P-S-Si, expected Li36Si3P3S23Cl to be Li20Si3P3S23Cl" +mp-1097034,Li20Si3P3S23Cl,-4.6223731732,-1.2687491224,0.0353504143,0.0353504143,GGA,Pm,AB20C3D23E3_mP50_6_a_2a2b8c_a2b_5a6b6c_2ab:Cl-Li-P-S-Si,50.0,"Invalid WP multiplicities - AB20C3D23E3_mP50_6_a_2a2b16c_a2b_5a6b6c_2ab:Cl-Li-P-S-Si, expected Li36Si3P3S23Cl to be Li20Si3P3S23Cl" +mp-1097035,Li20Si3P3S23Cl,-4.6273393254,-1.2737152746,0.0303842621,0.0303842621,GGA,Pm,AB20C3D23E3_mP50_6_a_2a2b8c_3b_5a6b6c_3a:Cl-Li-P-S-Si,50.0,"Invalid WP multiplicities - AB20C3D23E3_mP50_6_a_2a2b16c_3b_5a6b6c_3a:Cl-Li-P-S-Si, expected Li36Si3P3S23Cl to be Li20Si3P3S23Cl" +mp-720509,Li10Si(PS6)2,-4.6433938864,-1.2442518819,0.006719743,0.006719743,GGA,P1,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-S-Si,50.0,A10B2C12D_aP50_1_20a_4a_24a_2a:Li-P-S-Si +mp-696129,Li10Si(PS6)2,-4.632265779,-1.2331237745,0.0178478504,0.0178478504,GGA,P4_2mc,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-S-Si,50.0,A10B2C12D_tP50_105_ab2f_ac_3d3e_b:Li-P-S-Si +mp-1188768,Sr2ScCoPO3,-7.1503973612,-2.5162545554,0.1496717764,0.1496717764,GGA+U,P4/nmm,AB3CDE2_tP16_129_a_cf_c_c_2c:Co-O-P-Sc-Sr,16.0,AB3CDE2_tP16_129_a_cf_c_c_2c:Co-O-P-Sc-Sr +mp-1191428,Sc2Co12P7,-7.2786112824,-0.8091889349,0.0,-0.0031777549,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Sc,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-Sc +mp-1103160,ScCoP,-7.4285003025,-1.1438038336,0.0,-0.1182861456,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-Sc,12.0,ABC_oP12_62_c_c_c:Co-P-Sc +mp-1195823,ScCo5P3,-7.3102312472,-0.8531239583,0.0,-0.0216273635,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Co-P-Sc,36.0,A5B3C_oP36_62_5c_3c_c:Co-P-Sc +mp-1517962,NaTbMnWO6,-8.194526883,-2.4188099647,0.242475166,0.242475166,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Tb-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mn-Na-O-Tb-W +mp-1227217,CaTaNO2,-9.1226992955,-2.704049324,0.0597122597,0.0597122597,GGA,P2_1/c,ABC2D_mP20_14_e_e_2e_ad:Ca-N-O-Ta,20.0,ABC2D_mP20_14_e_e_2e_ab:Ca-N-O-Ta +mp-556340,CaTaNO2,-9.1718990845,-2.753249113,0.0105124707,0.0105124707,GGA,Pmc2_1,ABC2D_oP20_26_ab_c_abc_c:Ca-N-O-Ta,20.0,"Invalid WP multiplicities - ABC2D_oP20_26_ab_c_2a2b2c_c:Ca-N-O-Ta, expected CaTaNO4 to be CaTaNO2" +mp-1246175,Ca3Zr2N4,-7.5443056389,-1.2711744611,0.20803941,0.20803941,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Zr,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Zr +mp-1029267,CaZrN2,-8.470688195,-1.664115605,0.0,-0.2116166519,GGA,R-3m,AB2C_hR12_166_a_c_b:Ca-N-Zr,4.0,AB2C_hR12_166_a_c_b:Ca-N-Zr +mp-1246118,Ca5Zr2N6,-7.1179505512,-1.1839220735,0.2110434881,0.2110434881,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Zr,26.0,A5B6C2_mC52_15_e2f_3f_f:Ca-N-Zr +mp-1029773,Ca2TaN3,-8.1516531779,-1.3385761504,0.0,-0.2548714757,GGA,Cmce,A2B3C_oC48_64_2f_e2f_f:Ca-N-Ta,24.0,A2B3C_oC48_64_2f_e2f_f:Ca-N-Ta +mp-1246236,Ca3(TaN2)2,-8.0220640117,-1.0133601672,0.1977980631,0.1977980631,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ta,18.0,A3B4C2_mC36_15_ef_2f_f:Ca-N-Ta +mp-1246228,Ca3(TaN2)2,-7.9998171053,-0.9911132608,0.2200449694,0.2200449694,GGA,Pnna,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ta,36.0,A3B4C2_oP36_52_ce_2e_cd:Ca-N-Ta +mp-1246258,Ca3Ta3N5,-8.668068525,-1.0978315109,0.1511126997,0.1511126997,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ta,22.0,A3B5C3_aP22_2_3i_5i_3i:Ca-N-Ta +mp-1246171,Ca7ZrN6,-6.2819239982,-1.0957904739,0.057428258,0.057428258,GGA,Ibam,A7B6C_oI56_72_ajk_jk_b:Ca-N-Zr,28.0,A7B6C_oI56_72_ajk_jk_b:Ca-N-Zr +mp-1029660,Ca4ZrN4,-6.8215744144,-1.27534332,0.0,-0.0171838992,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-Zr,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-Zr +mp-677269,Ca16Zr9Ta7N7O41,-8.893046131,-3.228133021,0.0459155476,0.0459155476,GGA,P1,A16B7C41D7E9_aP80_1_16a_7a_41a_7a_9a:Ca-N-O-Ta-Zr,80.0,A16B7C41D7E9_aP80_1_16a_7a_41a_7a_9a:Ca-N-O-Ta-Zr +mp-552674,ZrTaNO,-9.8069754175,-1.3848099434,0.8994246031,0.8994246031,GGA,P-6m2,ABCD_hP4_187_c_b_a_f:N-O-Ta-Zr,4.0,ABCD_hP4_187_c_b_a_f:N-O-Ta-Zr +mp-1213893,CoAg(PO3)3,-7.1439316179,-2.093861638,0.1235322304,0.1235322304,GGA+U,Pcca,ABC9D3_oP112_54_f_ae_cd8f_3f:Ag-Co-O-P,112.0,ABC9D3_oP112_54_f_ae_cd8f_3f:Ag-Co-O-P +mp-1275604,CoAgPO4,-6.8861127939,-1.8659797725,0.0116914863,0.0116914863,GGA+U,P1,ABC4D_aP28_1_4a_4a_16a_4a:Ag-Co-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Co-O-P +mp-505353,CoAgPO4,-6.8923383421,-1.8722053207,0.0054659381,0.0054659381,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Co-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:Ag-Co-O-P, expected Co2AgPO4 to be CoAgPO4" +mp-505812,Co3Ag2(P2O7)2,-7.1984037491,-2.0724508197,0.0038978498,0.0038978498,GGA+U,P-1,A2B3C14D4_aP46_2_2i_3i_14i_4i:Ag-Co-O-P,46.0,A2B3C14D4_aP46_2_2i_3i_14i_4i:Ag-Co-O-P +mp-1221297,Na3Co6Ag(P2O7)4,-7.2911601998,-2.2636875341,0.033816001,0.033816001,GGA+U,P1,AB6C3D28E8_aP46_1_a_6a_3a_28a_8a:Ag-Co-Na-O-P,46.0,AB6C3D28E8_aP46_1_a_6a_3a_28a_8a:Ag-Co-Na-O-P +mp-1227208,CaSmGa3O7,-7.0224323746,-2.8194911195,0.0280148903,0.0280148903,GGA,Cmm2,AB3C7D_oC48_35_d_cde_abde2f_e:Ca-Ga-O-Sm,24.0,"Invalid WP multiplicities - AB3C7D_oC48_35_d_c2d2e_ab2d2e7f_e:Ca-Ga-O-Sm, expected CaSmGa5O19 to be CaSmGa3O7" +mp-1518755,CaSmV4O12,-8.3172970139,-2.6272928567,0.2000384008,0.2000384008,GGA+U,Cmmm,AB12CD4_oC36_65_a_efno_c_m:Ca-O-Sm-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_65_a_2e2fno_c_m:Ca-O-Sm-V, expected CaSmV4O16 to be CaSmV4O12" +mp-1233308,CaSm4V4O12,-8.5180596814,-2.9668295274,0.2344123257,0.2344123257,GGA+U,P1,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-V,21.0,AB12C4D4_aP21_1_a_12a_4a_4a:Ca-O-Sm-V +mp-995216,RbSrSiHO4,-6.6292756769,-2.7199223711,0.018316218,0.018316218,GGA,P2_1,AB4CDE_mP16_4_a_4a_a_a_a:H-O-Rb-Si-Sr,16.0,AB4CDE_mP16_4_a_4a_a_a_a:H-O-Rb-Si-Sr +mp-861513,Rb5SiHO5,-5.27580872,-2.0712955539,0.0,-0.0066195023,GGA,C2/m,AB5C5D_mC48_12_g_g2ij_h2ij_i:H-O-Rb-Si,24.0,"Invalid WP multiplicities - AB5C5D_mC48_12_g_g4ij_h4i2j_i:H-O-Rb-Si, expected Rb9SiHO7 to be Rb5SiHO5" +mp-1522631,KTbNdSbO6,-7.236299446,-2.8040948473,0.169048763,0.169048763,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sb-Tb +mp-2713985,Ta5Zn(PO4)9,-8.5690284701,-2.9347314520000003,0.0,-0.0219979163,GGA,P3c1,A36B9C5D_hP102_158_12d_3d_a2b2c_a:O-P-Ta-Zn,102.0,A36B9C5D_hP102_158_12d_3d_a2b2c_a:O-P-Ta-Zn +mp-1043735,TaTi(PO4)3,-8.6492330909,-3.0402071084,0.0,-0.01688014,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Ta-Ti,34.0,"Invalid WP multiplicities - A12B3CD_hR102_161_18b_b_a_a:O-P-Ta-Ti, expected TaTi(PO18)3 to be TaTi(PO4)3" +mp-1043827,TaTiZn(PO4)3,-8.14072857,-2.773329386,0.1024181809,0.1024181809,GGA,R3c,A12B3CDE_hR108_161_4b_b_a_a_a:O-P-Ta-Ti-Zn,36.0,"Invalid WP multiplicities - A12B3CDE_hR108_161_18b_b_a_a_a:O-P-Ta-Ti-Zn, expected TaTiZn(PO18)3 to be TaTiZn(PO4)3" +mp-756303,Li4Y3MnO8,-7.6625277764,-2.9268634146,0.0573237316,0.0573237316,GGA+U,C222,A4BC8D3_oC32_21_ack_b_efl_dk:Li-Mn-O-Y,64.0,A4BC8D3_oC32_21_ack_b_efl_dk:Li-Mn-O-Y +mp-1209734,RbLiWO5,-6.8285003094,-1.7558714687,0.2622542137,0.2622542137,GGA+U,Pbca,AB5CD_oP64_61_c_5c_c_c:Li-O-Rb-W,64.0,AB5CD_oP64_61_c_5c_c_c:Li-O-Rb-W +mp-1235138,Rb2LiPr2(WO4)4,-8.3625700364,-2.5861163235,0.0279301361,0.0279301361,GGA+U,P1,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Li-O-Pr-Rb-W,25.0,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Li-O-Pr-Rb-W +mp-1236612,Rb2LiPr2(WO4)4,-8.3520677276,-2.5756140147,0.0384324449,0.0384324449,GGA+U,P1,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Li-O-Pr-Rb-W,25.0,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Li-O-Pr-Rb-W +mp-1235458,Rb2LiPr2(WO4)4,-8.3275700784,-2.5511163655,0.0629300941,0.0629300941,GGA+U,C2,AB16C2D2E4_mC50_5_a_8c_ab_ab_2c:Li-O-Pr-Rb-W,25.0,"Invalid WP multiplicities - AB16C2D2E4_mC50_5_a_16c_ab_ab_4c:Li-O-Pr-Rb-W, expected Rb2LiPr2(WO4)8 to be Rb2LiPr2(WO4)4" +mp-18932,LiPr(WO4)2,-8.6559822046,-2.6410156403,0.0,-0.0070476728,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Li-O-Pr-W,24.0,AB8CD2_aP24_2_i_8i_i_2i:Li-O-Pr-W +mp-17971,Rb2Li14Pr3O14,-5.6592421758,-2.2567467969,0.0608884852,0.0608884852,GGA,Immm,A14B14C3D2_oI66_71_hlo_e2lm_ai_f:Li-O-Pr-Rb,33.0,"Invalid WP multiplicities - A14B14C3D2_oI66_71_hl2o_e3lm_ai_f:Li-O-Pr-Rb, expected Rb2Li22Pr3O18 to be Rb2Li14Pr3O14" +mp-1209276,RbPr(WO4)2,-8.5818723892,-2.6442715577,0.0,-0.0181302951,GGA+U,C2/c,A8BCD2_mC48_15_4f_e_e_f:O-Pr-Rb-W,24.0,A8BCD2_mC48_15_4f_e_e_f:O-Pr-Rb-W +mp-1209392,RbPr(WO4)2,-8.5433850979,-2.6057842665,0.0384872913,0.0203569961,GGA+U,Pbcn,A8BCD2_oP48_60_4d_c_c_d:O-Pr-Rb-W,48.0,A8BCD2_oP48_60_4d_c_c_d:O-Pr-Rb-W +mp-1209259,RbPr(WO4)2,-8.5150009975,-2.577400166,0.0668713917,0.0487410966,GGA+U,P-3m1,A8BCD2_hP12_164_di_a_b_d:O-Pr-Rb-W,12.0,A8BCD2_hP12_164_di_a_b_d:O-Pr-Rb-W +mp-1520792,KLaZrTiO6,-8.638464331,-3.4214912344,0.107456922,0.107456922,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Ti-Zr +mp-9843,Sr3(AlP2)2,-4.7994905739,-0.9980636798,0.0,-0.148524459,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-P-Sr,18.0,"Invalid WP multiplicities - A2B4C3_mC36_15_f_3f_ef:Al-P-Sr, expected Sr3(AlP3)2 to be Sr3(AlP2)2" +mp-560209,Li9Al3P8O29,-7.2621534752,-2.870777435,0.008148821,0.008148821,GGA,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Al-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_2b4d7g_4d6f35g_3d4g:Al-Li-O-P, expected Li52Al3(P15O118)2 to be Li9Al3P8O29" +mp-1235552,SrLiAlO3,-6.642343855,-2.9450008077,0.1365876088,0.1365876088,GGA,Cm,ABC3D_mC12_8_a_a_ab_a:Al-Li-O-Sr,6.0,"Invalid WP multiplicities - ABC3D_mC12_8_a_a_a2b_a:Al-Li-O-Sr, expected SrLiAlO5 to be SrLiAlO3" +mp-1235313,SrLiAlO3,-6.4172835517,-2.7199405044,0.3616479121,0.3616479121,GGA,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Al-Li-O-Sr,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_a2e_c:Al-Li-O-Sr, expected SrLiAlO5 to be SrLiAlO3" +mp-1208633,SrLiPO4,-7.1954587786,-3.0813911112,0.0236692955,0.0236692955,GGA,P6_3,AB4CD_hP14_173_b_bc_b_a:Li-O-P-Sr,14.0,AB4CD_hP14_173_b_bc_b_a:Li-O-P-Sr +mp-10614,SrLiP,-3.90207593,-0.8981696544000001,0.0796423867,0.0199175386,GGA,P-6m2,ABC_hP3_187_a_c_f:Li-P-Sr,3.0,ABC_hP3_187_a_c_f:Li-P-Sr +mp-13276,SrLiP,-3.9817183167,-0.9778120411,0.0,-0.059724848,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Li-P-Sr,6.0,ABC_hP6_194_c_d_a:Li-P-Sr +mp-1203266,SrLi2Al4(PO5)4,-7.3206128426,-2.7697539149,0.1635819699,0.1635819699,GGA,Ibam,A4B2C20D4E_oI124_72_k_j_f3j3k_fj_a:Al-Li-O-P-Sr,62.0,A4B2C20D4E_oI124_72_k_j_f3j3k_fj_a:Al-Li-O-P-Sr +mp-559987,LiAl(PO3)4,-7.6165003006,-2.8016128973,0.0024191545,0.0024191545,GGA,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Al-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_42d_5d:Al-Li-O-P, expected LiAl(P5O42)2 to be LiAl(PO3)4" +mp-1179134,SrAl3(PO7)2,-7.0200320965,-2.3697087008,0.3411998067,0.3411998067,GGA,R-3m,A3B14C2D_hR60_166_d_c2h_c_a:Al-O-P-Sr,20.0,A3B14C2D_hR60_166_d_c2h_c_a:Al-O-P-Sr +mp-570097,Sr(Li2P)2,-3.7088674329,-0.8300402995,0.0,-0.0129362321,GGA,R-3m,A4B2C_hR21_166_2c_c_a:Li-P-Sr,7.0,"Invalid WP multiplicities - A4B2C_hR21_166_4c_c_a:Li-P-Sr, expected Sr(Li4P)2 to be Sr(Li2P)2" +mp-1211159,LiAlPO5,-7.2049549756,-2.7297993807000003,0.1174022333,0.1174022333,GGA,P-1,ABC5D_aP16_2_ab_i_5i_i:Al-Li-O-P,16.0,ABC5D_aP16_2_ab_i_5i_i:Al-Li-O-P +mp-961699,NaMgP,-2.6623602733,0.1163423434,0.63418976,0.63418976,GGA,F-43m,ABC_cF12_216_a_c_b:Mg-Na-P,3.0,ABC_cF12_216_a_c_b:Mg-Na-P +mp-861906,BaNa2Mg(PO4)2,-7.0040742079,-2.9637584736,0.0,-0.0214724741,GGA,P-3,ABC2D8E2_hP14_147_a_b_d_dg_d:Ba-Mg-Na-O-P,14.0,"Invalid WP multiplicities - ABC2D8E2_hP14_147_a_b_d_d2g_d:Ba-Mg-Na-O-P, expected BaNa2Mg(PO7)2 to be BaNa2Mg(PO4)2" +mp-1019551,BaNa2Mg(PO4)2,-6.9993543386,-2.9590386043,0.0047198693,-0.0167526048,GGA,P-3m1,ABC2D8E2_hP14_164_a_b_d_di_d:Ba-Mg-Na-O-P,14.0,ABC2D8E2_hP14_164_a_b_d_di_d:Ba-Mg-Na-O-P +mp-6699,NaMgPO4,-6.893416437,-2.8758646234,0.0,-0.011719332,GGA,P2_12_12_1,ABC4D_oP84_19_3a_3a_12a_3a:Mg-Na-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_19_3a_3a_14a_3a:Mg-Na-O-P, expected Na3Mg3P3O14 to be NaMgPO4" +mp-555005,Na3Mg2P5O16,-7.159695944,-2.7988625635,0.0,-0.006451499,GGA,P2/c,A2B3C16D5_mP52_13_g_eg_8g_f2g:Mg-Na-O-P,52.0,"Invalid WP multiplicities - A2B3C16D5_mP52_13_g_2e3g_28g_f6g:Mg-Na-O-P, expected Na8Mg2P13O56 to be Na3Mg2P5O16" +mp-561486,Na2Mg5(PO4)4,-7.0919567752,-2.9643019513,0.0032369344,0.0032369344,GGA,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Mg-Na-O-P,27.0,"Invalid WP multiplicities - A5B2C16D4_aP27_2_a4i_i_14i_2i:Mg-Na-O-P, expected Na2Mg9(PO7)4 to be Na2Mg5(PO4)4" +mp-1222228,Na14Mg9(P2O7)8,-6.9889267518,-2.8147658834,0.0015240979,0.0015240979,GGA,P-1,A9B14C56D16_aP95_2_a4i_7i_28i_8i:Mg-Na-O-P,95.0,"Invalid WP multiplicities - A9B14C56D16_aP95_2_a8i_13i_56i_16i:Mg-Na-O-P, expected Na26Mg17(P2O7)16 to be Na14Mg9(P2O7)8" +mp-560981,NaMg4(PO4)3,-7.1547449771,-2.9885540997,0.0110707778,0.0110707778,GGA,Pnma,A4BC12D3_oP80_62_2cd_c_6c3d_3c:Mg-Na-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_7c3d_c_23c20d_8c:Mg-Na-O-P, expected NaMg13P8O63 to be NaMg4(PO4)3" +mp-1020162,Na4Mg3P4O15,-6.921670221,-2.846882451,0.0,-0.0085639691,GGA,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Mg-Na-O-P,104.0,A3B4C15D4_oP104_33_3a_4a_15a_4a:Mg-Na-O-P +mp-1197474,NaMg(PO3)3,-7.3425809509,-2.7938015749,0.0,-0.017074482,GGA,Pbca,ABC9D3_oP224_61_2c_abc_18c_6c:Mg-Na-O-P,224.0,ABC9D3_oP224_61_2c_abc_18c_6c:Mg-Na-O-P +mp-1196753,NaMg(PO3)3,-7.3407991563,-2.7920197803,0.0017817946,-0.0152926874,GGA,Pa-3,ABC9D3_cP224_205_2c_abc_6d_2d:Mg-Na-O-P,224.0,ABC9D3_cP224_205_2c_abc_6d_2d:Mg-Na-O-P +mp-1036271,Mg14MnCoO16,-6.5431034369,-2.8611886504,0.0151511052,0.0151511052,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Co-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Co-Mg-Mn-O, expected Mg18MnCoO20 to be Mg14MnCoO16" +mp-1036235,Mg14MnCoO16,-6.5454801072,-2.8635653207,0.0127744349,0.0127744349,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Co-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Co-Mg-Mn-O, expected Mg30MnCoO32 to be Mg14MnCoO16" +mp-2226859,MgMn3CoO8,-7.7466819231,-1.9183624299,0.0545420716,0.0545420716,GGA+U,Cm,ABC3D8_mC26_8_a_a_ab_4a2b:Co-Mg-Mn-O,13.0,ABC3D8_mC26_8_a_a_ab_4a2b:Co-Mg-Mn-O +mp-2218924,MgMn3CoO8,-7.74495738,-1.9166378868,0.0562666146,0.0562666146,GGA+U,C2/m,ABC3D8_mC26_12_a_c_be_2ij:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_c_a2f_3i4j:Co-Mg-Mn-O, expected MgMn5CoO22 to be MgMn3CoO8" +mp-2219153,MgMn3CoO8,-7.7419366377,-1.9136171445,0.0592873569,0.0592873569,GGA+U,C2/m,ABC3D8_mC26_12_c_b_af_2ij:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_c_b_ae_4i3j:Co-Mg-Mn-O, expected MgMn3CoO20 to be MgMn3CoO8" +mp-2226923,MgMn3CoO8,-7.7470557669,-1.9187362738,0.0541682277,0.0541682277,GGA+U,C2/m,ABC3D8_mC26_12_a_b_ce_2ij:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_a_ce_4ij:Co-Mg-Mn-O, expected MgMn3CoO12 to be MgMn3CoO8" +mp-2219747,MgMn3CoO8,-7.7527604792,-1.9244409861,0.0484635154,0.0484635154,GGA+U,R-3m,ABC3D8_hR39_166_b_a_d_ch:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_a_c_b2f_3i4j:Co-Mg-Mn-O, expected MgMn5CoO22 to be MgMn3CoO8" +mp-2228862,MgMn2(CoO3)4,-7.1434626711,-1.4741023369,0.1187096903,0.1187096903,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Mn-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:Co-Mg-Mn-O +mp-2228878,MgMn2(CoO3)4,-7.0906222268,-1.4212618927,0.1715501345,0.1715501345,GGA+U,Cm,A4BC2D12_mC38_8_2b_a_2a_4a4b:Co-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC2D12_mC38_8_3b_a_2a_4a7b:Co-Mg-Mn-O, expected MgMn2(CoO3)6 to be MgMn2(CoO3)4" +mp-2219133,MgMnCo3O8,-7.0320905108,-1.5197244787000002,0.1416949533,0.1416949533,GGA+U,P1,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O +mp-2219539,MgMnCo3O8,-6.94274564,-1.4303796079,0.231039824,0.231039824,GGA+U,P1,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O +mp-2233588,MgMnCo3O8,-6.9844041392000005,-1.4720381071,0.1893813248,0.1893813248,GGA+U,P1,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O +mp-2219545,MgMnCo3O8,-7.06684528,-1.5544792479,0.106940184,0.106940184,GGA+U,P-1,A3BCD8_aP13_2_acd_b_e_4i:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_acd_b_e_7i:Co-Mg-Mn-O, expected MgMnCo3O14 to be MgMnCo3O8" +mp-2219464,MgMnCo3O8,-7.0444002685,-1.5320342364,0.1293851956,0.1293851956,GGA+U,P-1,A3BCD8_aP13_2_abg_c_d_4i:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_abg_c_d_7i:Co-Mg-Mn-O, expected MgMnCo3O14 to be MgMnCo3O8" +mp-2219166,MgMnCo3O8,-7.0386640454,-1.5262980133,0.1351214187,0.1351214187,GGA+U,P-1,A3BCD8_aP13_2_ace_b_d_4i:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_ace_b_d_7i:Co-Mg-Mn-O, expected MgMnCo3O14 to be MgMnCo3O8" +mp-2219486,MgMnCo3O8,-7.0580636231,-1.545697591,0.115721841,0.115721841,GGA+U,P-1,A3BCD8_aP13_2_adg_c_b_4i:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_adg_c_b_7i:Co-Mg-Mn-O, expected MgMnCo3O14 to be MgMnCo3O8" +mp-2219372,MgMnCo3O8,-7.11404155,-1.6016755179,0.059743914,0.059743914,GGA+U,C2,A3BCD8_mC26_5_ac_b_a_4c:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_5_ac_b_a_7c:Co-Mg-Mn-O, expected MgMnCo3O14 to be MgMnCo3O8" +mp-2219427,MgMnCo3O8,-7.0715169677,-1.5591509356,0.1022684963,0.1022684963,GGA+U,Cm,A3BCD8_mC26_8_ab_a_a_4a2b:Co-Mg-Mn-O,13.0,A3BCD8_mC26_8_ab_a_a_4a2b:Co-Mg-Mn-O +mp-2219549,MgMnCo3O8,-7.0332427662,-1.5208767341,0.1405426979,0.1405426979,GGA+U,Cm,A3BCD8_mC26_8_ab_a_a_4a2b:Co-Mg-Mn-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Mn-O +mp-2227058,MgMn(CoO2)4,-7.1829828771,-1.5566202906000002,0.1719993418,0.1719993418,GGA+U,P-1,A4BCD8_aP14_2_abce_g_f_4i:Co-Mg-Mn-O,14.0,"Invalid WP multiplicities - A4BCD8_aP14_2_abce_g_f_7i:Co-Mg-Mn-O, expected MgMn(Co2O7)2 to be MgMn(CoO2)4" +mp-1032864,Mg6MnCoO8,-6.7484606438,-2.6581154514,0.0405237605,0.0405237605,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Co-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Co-Mg-Mn-O, expected Mg6MnCoO12 to be Mg6MnCoO8" +mp-1032875,Mg6MnCoO8,-6.7222169488,-2.6318717564,0.0667674555,0.0667674555,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Co-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Co-Mg-Mn-O, expected Mg6MnCoO12 to be Mg6MnCoO8" +mp-2217080,MgMn2CoO6,-7.554046118,-1.8827700483,0.1400023628,0.1400023628,GGA+U,P1,ABC2D6_aP10_1_a_a_2a_6a:Co-Mg-Mn-O,10.0,ABC2D6_aP10_1_a_a_2a_6a:Co-Mg-Mn-O +mp-2217277,MgMn2CoO6,-7.561748902,-1.8904728323,0.1322995788,0.1322995788,GGA+U,Cm,ABC2D6_mC20_8_a_a_2a_6a:Co-Mg-Mn-O,10.0,ABC2D6_mC20_8_a_a_2a_6a:Co-Mg-Mn-O +mp-2217083,MgMn(CoO3)2,-7.116080361,-1.650174041,0.1851770713,0.1851770713,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Mg-Mn-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Mg-Mn-O +mp-2239891,MgMn(CoO3)2,-7.085522016,-1.619615696,0.2157354163,0.2157354163,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Mg-Mn-O,10.0,A2BCD6_aP10_1_2a_a_a_6a:Co-Mg-Mn-O +mp-2217180,MgMn(CoO3)2,-7.109991715,-1.644085395,0.1912657173,0.1912657173,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Mn-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Mn-O +mp-2217189,MgMn(CoO3)2,-7.040608639,-1.574702319,0.2606487933,0.2606487933,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Mn-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Mn-O +mp-1234536,MgMn4(CoO6)2,-7.5680320174,-1.6824929993,0.1392761768,0.1392761768,GGA+U,C2,A2BC4D12_mC38_5_c_a_2c_6c:Co-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC4D12_mC38_5_c_a_4c_12c:Co-Mg-Mn-O, expected MgMn8(CoO12)2 to be MgMn4(CoO6)2" +mp-2230173,MgMnCo5O12,-6.9506038268,-1.3893328346,0.089000618,0.089000618,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Mn-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Mn-O +mp-2231719,MgMnCo5O12,-6.9694405205,-1.4081695283,0.0701639243,0.0701639243,GGA+U,P1,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Mn-O,19.0,A5BCD12_aP19_1_5a_a_a_12a:Co-Mg-Mn-O +mp-2231601,MgMnCo5O12,-6.9473116179000005,-1.3860406257,0.092292827,0.092292827,GGA+U,Cm,A5BCD12_mC38_8_a2b_a_a_4a4b:Co-Mg-Mn-O,19.0,"Invalid WP multiplicities - A5BCD12_mC38_8_a3b_a_a_4a7b:Co-Mg-Mn-O, expected MgMnCo7O18 to be MgMnCo5O12" +mp-2230757,MgMnV4CoO12,-8.2538887632,-2.2767044499,0.0956555169,0.0956555169,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Mg-Mn-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Mg-Mn-O-V +mp-2230458,MgMnV4CoO12,-8.0869658858,-2.1097815725,0.2625783943,0.2625783943,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Mg-Mn-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Co-Mg-Mn-O-V +mp-1038281,Mg30MnCoO32,-6.4253752292,-2.9476756457,0.0175143818,0.0175143818,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Co-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Co-Mg-Mn-O, expected Mg90MnCoO80 to be Mg30MnCoO32" +mp-1038287,Mg30MnCoO32,-6.4220832702,-2.9443836866,0.0208063409,0.0208063409,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Co-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Co-Mg-Mn-O, expected Mg110MnCoO72 to be Mg30MnCoO32" +mp-2218867,MgMn2(CoO4)2,-7.3537953208,-1.6834525581,0.1452817135,0.1452817135,GGA+U,P-1,A2BC2D8_aP13_2_af_d_bc_4i:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_aP13_2_af_d_bc_7i:Co-Mg-Mn-O, expected MgMn2(CoO7)2 to be MgMn2(CoO4)2" +mp-2219582,MgMn2(CoO4)2,-7.3787907623,-1.7084479997000002,0.1202862719,0.1202862719,GGA+U,C2/m,A2BC2D8_mC26_12_ac_b_e_2ij:Co-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC2D8_mC26_12_ac_b_f_3i2j:Co-Mg-Mn-O, expected MgMn2(CoO7)2 to be MgMn2(CoO4)2" +mp-2218976,MgMn2(CoO4)2,-7.4581075446,-1.787764782,0.0409694896,0.0409694896,GGA+U,Imm2,A2BC2D8_oI26_44_c_a_d_2c2d:Co-Mg-Mn-O,13.0,A2BC2D8_oI26_44_c_a_d_2c2d:Co-Mg-Mn-O +mp-2225389,MgMnCoO4,-7.1921157643,-1.8124917668,0.2837680141,0.2837680141,GGA+U,P1,ABCD4_aP7_1_a_a_a_4a:Co-Mg-Mn-O,7.0,"Invalid WP multiplicities - ABCD4_mC14_8_a_a_a_2a2b:Co-Mg-Mn-O, expected MgMnCoO6 to be MgMnCoO4" +mp-2226785,MgMnCoO4,-7.2219666429,-1.8423426454,0.2539171355,0.2539171355,GGA+U,Pm,ABCD4_mP7_6_b_a_a_2a2b:Co-Mg-Mn-O,7.0,ABCD4_mP7_6_b_a_a_2a2b:Co-Mg-Mn-O +mp-2225374,MgMnCoO4,-7.4075980857,-2.0279740883,0.0682856927,0.0682856927,GGA+U,P2/m,ABCD4_mP7_10_d_c_b_mn:Co-Mg-Mn-O,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_e_b_c_m2n:Co-Mg-Mn-O, expected MgMnCoO6 to be MgMnCoO4" +mp-2225894,MgMnCoO4,-7.2977178229,-1.9180938254,0.1781659555,0.1781659555,GGA+U,P2/m,ABCD4_mP7_10_b_c_d_mn:Co-Mg-Mn-O,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_c_b_e_2mn:Co-Mg-Mn-O, expected MgMnCoO6 to be MgMnCoO4" +mp-2228273,MgMnCoO4,-7.2458414729,-1.8662174754,0.2300423055,0.2300423055,GGA+U,P2/m,ABCD4_mP7_10_e_b_c_mn:Co-Mg-Mn-O,7.0,"Invalid WP multiplicities - ABCD4_mP7_10_d_c_b_m2n:Co-Mg-Mn-O, expected MgMnCoO6 to be MgMnCoO4" +mp-2224273,MgMnCoO4,-7.1034388529,-1.7238148554,0.3724449255,0.3724449255,GGA+U,Amm2,ABCD4_oC14_38_a_a_b_2bd:Co-Mg-Mn-O,7.0,ABCD4_oC14_38_a_a_b_2bd:Co-Mg-Mn-O +mp-2230000,MgMn2Co5O12,-7.170404009,-1.4290958018,0.2302881946,0.2302881946,GGA+U,P1,A5BC2D12_aP20_1_5a_a_2a_12a:Co-Mg-Mn-O,20.0,A5BC2D12_aP20_1_5a_a_2a_12a:Co-Mg-Mn-O +mp-2230005,MgMn2Co5O12,-7.196152609,-1.4548444018,0.2045395946,0.2045395946,GGA+U,P1,A5BC2D12_aP20_1_5a_a_2a_12a:Co-Mg-Mn-O,20.0,A5BC2D12_aP20_1_5a_a_2a_12a:Co-Mg-Mn-O +mp-2230034,MgMn2Co5O12,-7.22988079,-1.4885725828,0.1708114136,0.1708114136,GGA+U,P1,A5BC2D12_aP20_1_5a_a_2a_12a:Co-Mg-Mn-O,20.0,"Invalid WP multiplicities - A5BC2D12_aP20_2_b3i_d_i_11i:Co-Mg-Mn-O, expected MgMn2Co7O22 to be MgMn2Co5O12" +mp-2230151,MgMn2Co5O12,-7.206064365,-1.4647561578,0.1946278386,0.1946278386,GGA+U,C2,A5BC2D12_mC40_5_a2bc_a_ab_6c:Co-Mg-Mn-O,20.0,A5BC2D12_mC40_5_a2bc_a_ab_6c:Co-Mg-Mn-O +mp-1365713,MgMn2CoO7,-7.217521967,-1.6121174754,0.2591569931,0.2591569931,GGA+U,P2_1/c,ABC2D7_mP88_14_2e_2e_4e_14e:Co-Mg-Mn-O,88.0,"Invalid WP multiplicities - ABC2D7_mP88_14_2e_3e_7e_17e:Co-Mg-Mn-O, expected Mg3Mn7Co2O17 to be MgMn2CoO7" +mp-1046114,SrTiZn(PO4)2,-7.4850998862,-2.7739580567,0.1698286472,0.1698286472,GGA,P-1,A8B2CDE_aP26_2_8i_2i_i_i_i:O-P-Sr-Ti-Zn,26.0,"Invalid WP multiplicities - A8B2CDE_aP26_2_14i_2i_i_i_i:O-P-Sr-Ti-Zn, expected SrTiZn(PO7)2 to be SrTiZn(PO4)2" +mp-1203129,MgAl2As2(HO)18,-5.821383752,-1.7111609682000002,0.0109822565,0.0109822565,GGA,P-1,A2B2C18DE18_aP41_2_ac_i_9i_f_9i:Al-As-H-Mg-O,41.0,A2B2C18DE18_aP41_2_ac_i_9i_f_9i:Al-As-H-Mg-O +mp-690136,Mg4Al3(HO)17,-5.8803131788,-1.9923156533,0.0476904323,0.0476904323,GGA,P1,A3B17C4D17_aP41_1_3a_17a_4a_17a:Al-H-Mg-O,41.0,A3B17C4D17_aP41_1_3a_17a_4a_17a:Al-H-Mg-O +mp-677288,Mg5AlH21O17,-5.5712539375,-1.7738009576,0.0469998584,0.0469998584,GGA,P1,AB21C5D17_aP44_1_a_21a_5a_17a:Al-H-Mg-O,44.0,AB21C5D17_aP44_1_a_21a_5a_17a:Al-H-Mg-O +mp-1261382,Mg5AlH21O17,-5.5903188723,-1.7928658924,0.0279349236,0.0279349236,GGA,P1,AB21C5D17_aP44_1_a_21a_5a_17a:Al-H-Mg-O,44.0,AB21C5D17_aP44_1_a_21a_5a_17a:Al-H-Mg-O +mp-1233355,MgAl4(HO)12,-6.0070560921,-1.9844505595,0.0908442847,0.0908442847,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1233465,MgAl4(HO)12,-5.9214148528,-1.8988093202,0.176485524,0.176485524,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1233915,MgAl4(HO)12,-5.9918755369,-1.9692700043,0.1060248398,0.1060248398,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1233946,MgAl4(HO)12,-5.9785564548,-1.9559509222,0.1193439219,0.1193439219,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234119,MgAl4(HO)12,-5.914237761,-1.8916322284,0.1836626157,0.1836626157,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234204,MgAl4(HO)12,-5.9801267634,-1.9575212309,0.1177736133,0.1177736133,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234353,MgAl4(HO)12,-5.9812268741,-1.9586213416,0.1166735026,0.1166735026,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234382,MgAl4(HO)12,-5.9148702631,-1.8922647305,0.1830301136,0.1830301136,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234533,MgAl4(HO)12,-6.0179255866,-1.995320054,0.0799747902,0.0799747902,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234718,MgAl4(HO)12,-5.9706022303,-1.9479966978,0.1272981464,0.1272981464,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234729,MgAl4(HO)12,-5.9585214459,-1.9359159133,0.1393789309,0.1393789309,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-1234888,MgAl4(HO)12,-6.0106723417,-1.9880668091,0.087228035,0.087228035,GGA,P1,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O,29.0,A4B12CD12_aP29_1_4a_12a_a_12a:Al-H-Mg-O +mp-995192,RbBaSiHO4,-6.6327306613,-2.6946921697,0.0179128652,0.0179128652,GGA,P2_1,ABC4DE_mP16_4_a_a_4a_a_a:Ba-H-O-Rb-Si,16.0,ABC4DE_mP16_4_a_a_4a_a_a:Ba-H-O-Rb-Si +mp-5597,Ca(FeP)2,-6.798333158,-0.8438836953000001,0.0,-0.1327027253,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ca-Fe-P,5.0,AB2C2_tI10_139_a_d_e:Ca-Fe-P +mp-1355185,CaTi2Fe2(PO4)6,-8.0138737026,-2.7013888328,0.0354193768,0.0354193768,GGA+U,R3,AB2C24D6E2_hR105_146_a_2a_8b_2b_2a:Ca-Fe-O-P-Ti,35.0,"Invalid WP multiplicities - AB2C24D6E2_hR105_146_a_2a_22b_2b_2a:Ca-Fe-O-P-Ti, expected CaTi2Fe2(PO11)6 to be CaTi2Fe2(PO4)6" +mp-1233687,CaFe4(PO4)4,-7.887644983599999,-2.4202084185,0.0767952592,0.0767952592,GGA+U,P1,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Fe-O-P,25.0,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Fe-O-P +mp-1234291,CaFe4(PO4)4,-7.9179064652,-2.4504699001,0.0465337776,0.0465337776,GGA+U,P1,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Fe-O-P,25.0,AB4C16D4_aP25_1_a_4a_16a_4a:Ca-Fe-O-P +mp-1044202,CaFe2(PO5)2,-7.5902300857,-2.3076211239,0.1019870936,0.1019870936,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Ca-Fe-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Ca-Fe-O-P, expected CaFe2(PO18)2 to be CaFe2(PO5)2" +mp-818432,CaFe5P5O22,-7.7567491918,-2.2946470672,0.0744467087,0.0744467087,GGA+U,P-1,AB5C22D5_aP66_2_i_5i_22i_5i:Ca-Fe-O-P,66.0,AB5C22D5_aP66_2_i_5i_22i_5i:Ca-Fe-O-P +mp-1188376,Ca2Fe(PO6)2,-6.8424592682,-1.9796304142,0.3554339537,0.3554339537,GGA+U,P-1,A2BC12D2_aP17_2_i_a_6i_i:Ca-Fe-O-P,17.0,A2BC12D2_aP17_2_i_a_6i_i:Ca-Fe-O-P +mp-1040941,CaFe2P2O9,-7.8883263555,-2.5817230902,0.0,-0.0102136685,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Ca-Fe-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Ca-Fe-O-P, expected CaFe2P2O11 to be CaFe2P2O9" +mp-560784,CaFe3P3O13,-7.9007425233,-2.5026163094,0.0051893761,0.0051893761,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Ca-Fe-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Ca-Fe-O-P, expected CaFe5P3O34 to be CaFe3P3O13" +mp-1040917,CaFe2(PO4)2,-7.953395935,-2.6191069347,0.0211662557,0.0211662557,GGA+U,C2/c,AB2C8D2_mC104_15_f_cef_8f_2f:Ca-Fe-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Ca-Fe-O-P, expected Ca2Fe7(PO5)12 to be CaFe2(PO4)2" +mp-1228870,CaFe12(PO6)8,-7.0154024306,-1.4444845669,0.5452924366,0.5452924366,GGA+U,C2,AB12C48D8_mC138_5_a_6c_24c_4c:Ca-Fe-O-P,69.0,AB12C48D8_mC138_5_a_6c_24c_4c:Ca-Fe-O-P +mp-1214178,CaFe2(PO4)3,-7.7589573308,-2.5064120889,0.0327146718,0.0327146718,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Ca-Fe-O-P,72.0,AB2C12D3_mP72_14_e_2e_12e_3e:Ca-Fe-O-P +mp-1343599,CaFeP2O7,-7.884581973,-2.8001231473,0.0,-0.0025003741,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Fe-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Fe-O-P +mp-1042021,CaFeP2O7,-7.8733250227,-2.7888661971,0.0112569502,0.0087565761,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ca-Fe-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ca-Fe-O-P +mp-1048533,CaFeP2O7,-7.8654384593,-2.7809796337,0.0191435136,0.0166431395,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ca-Fe-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Ca-Fe-O-P, expected CaFeP7O23 to be CaFeP2O7" +mp-554104,Ca9Fe(PO4)7,-7.6773646846,-3.1680130936,0.0291541406,0.0291541406,GGA+U,R3c,A9BC28D7_hR270_161_3b_a_a9b_a2b:Ca-Fe-O-P,90.0,"Invalid WP multiplicities - A9BC28D7_hR270_161_14b_a_2a48b_2a8b:Ca-Fe-O-P, expected Ca42Fe(P13O73)2 to be Ca9Fe(PO4)7" +mp-1040883,CaFe3(P2O7)2,-7.9674302464,-2.5891340875,0.0,-0.0021735085,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Fe-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Ca-Fe-O-P +mp-1045812,CaFe(PO3)4,-7.8162005272,-2.733472991,0.0,-0.0111701573,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Ca-Fe-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Ca-Fe-O-P +mp-39160,CaTiFe(PO4)3,-8.1179455394,-2.897318586,0.0,-0.0077396847,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Fe-O-P-Ti, expected CaTiFe(PO18)3 to be CaTiFe(PO4)3" +mp-1228009,BaLa3Sc4HO12,-8.6355580471,-3.6446121779,0.0399911554,0.0399911554,GGA,Pm,ABC3D12E4_mP21_6_a_a_a2b_2a2b4c_2c:Ba-H-La-O-Sc,21.0,"Invalid WP multiplicities - ABC3D12E4_mP21_6_a_a_a2b_2a2b8c_4c:Ba-H-La-O-Sc, expected BaLa3Sc8HO20 to be BaLa3Sc4HO12" +mp-1197417,BaLa2Sc2O7,-8.7223816612,-3.7988192997,0.0,-0.0296046204,GGA,P4_2/mnm,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-La-O-Sc,48.0,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-La-O-Sc +mp-1520699,KSrGdMnO6,-7.96868413,-2.39686791,0.1373436708,0.1373436708,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Gd-K-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Gd-K-Mn-O-Sr +mp-6131,Ba3Yb(BO3)3,-7.6229358776,-3.1320042017,0.0,-0.0268017502,GGA,P6_3cm,A3B3C9D_hP96_185_3c_ab2c_3c3d_ab:B-Ba-O-Yb,,"Invalid WP multiplicities - A3B3C9D_hP96_185_4c_2a2b2c_6c6d_ab:B-Ba-O-Yb, expected Ba4Yb(B2O9)2 to be Ba3Yb(BO3)3" +mp-1214546,Ba3Yb(BO2)9,-8.0673006224,-3.0204794663,0.0256212357,0.0256212357,GGA,P6_3/m,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Yb,,A9B3C18D_hP62_176_hi_af_2h2i_b:B-Ba-O-Yb +mp-556696,Ba2YbB2ClO6,-7.2694377904,-3.0806869047,0.0014239993,0.0014239993,GGA,P2_1/m,A2B2CD6E_mP24_11_2e_2e_e_2e2f_e:B-Ba-Cl-O-Yb,,"Invalid WP multiplicities - A2B2CD6E_mP24_11_4e_3e_e_4e7f_e:B-Ba-Cl-O-Yb, expected Ba3YbB4ClO18 to be Ba2YbB2ClO6" +mp-1214801,Ba2YbCl7,-4.4634494763,-2.6317179983,0.0166297493,0.0166297493,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Yb,,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Yb +mp-1518641,KZrNbBiO6,-7.987941883,-2.6599392816,0.1899945535,0.1899945535,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Bi-K-Nb-O-Zr +mp-1046311,Sr2YCu2AgO7,-6.3763265808,-2.1068459391,0.0599598409,0.0599598409,GGA,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Ag-Cu-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Ag-Cu-O-Sr-Y +mp-1096127,Y2CuAg,-2.8106500525,2.1555261725,2.4497340125,2.4497340125,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Cu-Y,4.0,ABC2_oI8_71_a_b_e:Ag-Cu-Y +mp-1045596,YCu3(AgO3)4,-5.39596247,-0.9232334864,0.0965689786,0.0965689786,GGA,Im-3,A4B3C12D_cI40_204_c_b_g_a:Ag-Cu-O-Y,20.0,A4B3C12D_cI40_204_c_b_g_a:Ag-Cu-O-Y +mp-532792,KSrLa4Mn6O18,-8.2776961582,-2.7258158457,0.153913238,0.153913238,GGA+U,P-1,AB4C6D18E_aP60_2_i_4i_6i_18i_i:K-La-Mn-O-Sr,60.0,"Invalid WP multiplicities - AB4C6D18E_aP60_2_i_7i_11i_35i_i:K-La-Mn-O-Sr, expected KSrLa7Mn11O35 to be KSrLa4Mn6O18" +mp-697306,KSr3La8Mn12O36,-8.3528888235,-2.7913569359,0.1390111528,0.1390111528,GGA+U,P2,AB8C12D36E3_mP60_3_a_2ab2c3d_6e_3a3b3c3d12e_2bc:K-La-Mn-O-Sr,60.0,"Invalid WP multiplicities - AB8C12D36E3_mP60_3_c_2ab2c3d_8e_3a3b3c3d24e_a2b:K-La-Mn-O-Sr, expected KSr3La8Mn16O60 to be KSr3La8Mn12O36" +mp-1523124,KSrLaMnO6,-7.011701013,-2.3538963065000003,0.2090180759,0.2090180759,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_f_3m_cd:K-La-Mn-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_2a2b_e_f_6m_cd:K-La-Mn-O-Sr, expected K2SrLaMnO12 to be KSrLaMnO6" +mp-1523344,KSrLaMnO6,-7.002696434,-2.3448917275,0.2180226549,0.2180226549,GGA+U,F-43m,ABCD6E_cF40_216_c_a_b_f_d:K-La-Mn-O-Sr,10.0,ABCD6E_cF40_216_c_a_b_f_d:K-La-Mn-O-Sr +mp-1026835,KMg14Bi,-1.6687621625,0.0409133861,0.1469144811,0.1469144811,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Bi-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Bi-K-Mg, expected KMg18Bi to be KMg14Bi" +mp-1026838,KMg14Bi,-1.6259869675,0.0836885811,0.1896896761,0.1896896761,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Bi-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Bi-K-Mg, expected KMg26Bi to be KMg14Bi" +mp-1021295,KMg6Bi,-1.7462342206,0.0728368265,0.2662563545,0.2662563545,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Bi-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Bi-K-Mg, expected KMg12Bi to be KMg6Bi" +mp-1021294,KMg6Bi,-1.7423786788000002,0.0766923684,0.2701118964,0.2701118964,GGA,Amm2,ABC6_oC16_38_a_b_abde:Bi-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Bi-K-Mg, expected KMg12Bi to be KMg6Bi" +mp-1030929,KMg6BiO8,-5.7081762637,-2.3252963846,0.4003418697,0.4003418697,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Bi-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Bi-K-Mg-O, expected KMg6BiO12 to be KMg6BiO8" +mp-1030940,KMg6BiO8,-5.8078269325,-2.4249470533,0.3006912009,0.3006912009,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Bi-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Bi-K-Mg-O, expected KMg6BiO12 to be KMg6BiO8" +mp-1520700,KPrMgBiO6,-6.245630566,-2.144409951,0.1999836986,0.1999836986,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mg-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-K-Mg-O-Pr +mp-1019105,KMgBi,-2.6685370133,-0.4848143043,0.0,-0.1967045719,GGA,P4/nmm,ABC_tP6_129_c_c_a:Bi-K-Mg,6.0,ABC_tP6_129_c_c_a:Bi-K-Mg +mp-2229851,K6Mg(BiO4)2,-5.0096606171,-1.743945224,0.090718046,0.090718046,GGA,P1,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O,17.0,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O +mp-2229657,K6Mg(BiO4)2,-4.9917160441,-1.7260006511,0.108662619,0.108662619,GGA,P1,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O,17.0,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O +mp-2229455,K6Mg(BiO4)2,-4.9737301876,-1.7080147946,0.1266484754,0.1266484754,GGA,P1,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O,17.0,A2B6CD8_aP17_1_2a_6a_a_8a:Bi-K-Mg-O +mp-1035683,KMg14BiO16,-6.0105049231,-2.6823227932,0.2075164836,0.2075164836,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Bi-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Bi-K-Mg-O, expected KMg18BiO20 to be KMg14BiO16" +mp-1035670,KMg14BiO16,-6.0287036191,-2.7005214892,0.1893177877,0.1893177877,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Bi-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Bi-K-Mg-O, expected KMg30BiO32 to be KMg14BiO16" +mp-1040233,KMg30BiO32,-6.1860322997,-2.8851990444,0.0867407437,0.0867407437,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Bi-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Bi-K-Mg-O, expected KMg110BiO72 to be KMg30BiO32" +mp-1040200,KMg30BiO32,-6.1760986714,-2.8752654161,0.096674372,0.096674372,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Bi-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Bi-K-Mg-O, expected KMg90BiO80 to be KMg30BiO32" +mp-2225418,KMgBiO3,-4.9026334783,-1.3374277682,0.8408737442,0.8408737442,GGA,P4/mmm,ABCD3_tP6_123_b_c_d_ae:Bi-K-Mg-O,6.0,"Invalid WP multiplicities - ABCD3_tP6_123_b_c_d_a2e:Bi-K-Mg-O, expected KMgBiO5 to be KMgBiO3" +mp-2210620,KMgBiO3,-5.4485416633,-1.8833359532,0.2949655592,0.2949655592,GGA,R3m,ABCD3_hR18_160_a_a_a_b:Bi-K-Mg-O,6.0,ABCD3_hR18_160_a_a_a_b:Bi-K-Mg-O +mp-1079335,Er(NiB)2,-6.468168473,-0.5708133307000001,0.0,-0.0072687993,GGA,C2/c,A2BC2_mC20_15_f_e_f:B-Er-Ni,10.0,A2BC2_mC20_15_f_e_f:B-Er-Ni +mp-31130,ErNi7B3,-6.3453144041,-0.430146142,0.0,-0.006422436,GGA,I4_1/amd,A3BC7_tI88_141_ef_e_cg2h:B-Er-Ni,44.0,"Invalid WP multiplicities - A3BC7_tI88_141_e2f_e_c4g4h:B-Er-Ni, expected ErNi17B5 to be ErNi7B3" +mp-1192068,ErNiB4,-6.7328094962,-0.5552390674000001,0.0221151329,-0.0111420004,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Er-Ni,24.0,A4BC_oP24_55_4h_g_g:B-Er-Ni +mp-27895,ErNiB4,-6.7549246292,-0.5773542003000001,0.0,-0.0332571333,GGA,I4/mmm,A4BC_tI48_139_lm_de_i:B-Er-Ni,24.0,A4BC_tI48_139_lm_de_i:B-Er-Ni +mp-1193830,Er2(Ni7B2)3,-6.2338274128,-0.3512529809,0.0039440337,0.0039440337,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Er-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Er-Ni +mp-17168,Er3Ni7B2,-6.1599771379,-0.5330690769,0.0,-0.0177320766,GGA,P6_3/mmc,A2B3C7_hP24_194_bc_df_ak:B-Er-Ni,24.0,"Invalid WP multiplicities - A2B3C7_hP24_194_bc_df_a2k:B-Er-Ni, expected Er3Ni13B2 to be Er3Ni7B2" +mp-6098,ErNi2B2C,-6.9738746367,-0.5213011026000001,0.0,-0.0335656113,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Er-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Er-Ni +mp-4071,Er2(NiB2)3,-6.6367433455,-0.5865435014,0.0,-0.0121624236,GGA,Cmmm,A6B2C3_oC22_65_gp_j_ah:B-Er-Ni,11.0,A6B2C3_oC22_65_gp_j_ah:B-Er-Ni +mp-8531,Lu5Ni19B6,-6.2551378767,-0.5050145385,0.0167064527,0.0167064527,GGA,P6/mmm,A6B5C19_hP30_191_ch_a2e_gh2i:B-Lu-Ni,30.0,"Invalid WP multiplicities - A6B5C19_hP30_191_ch_a2e_2gh2i:B-Lu-Ni, expected Lu5(Ni11B3)2 to be Lu5Ni19B6" +mp-12965,ErNi4B,-6.2353370542,-0.5073941707,0.0,-0.0376357632,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Er-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Er-Ni +mp-1206215,Er4Ni2C5,-7.2971485273,-0.3903779761,0.0,-0.0211165994,GGA,Pmm2,A5B4C2_oP11_25_a2f_bce_f:C-Er-Ni,11.0,A5B4C2_oP11_25_a2f_bce_f:C-Er-Ni +mp-1207163,Lu4Ni2C5,-7.30980433,-0.4200404298,0.0,-0.0264475792,GGA,Pmm2,A5B4C2_oP11_25_a2f_bce_f:C-Lu-Ni,11.0,A5B4C2_oP11_25_a2f_bce_f:C-Lu-Ni +mp-1201139,Lu2(Ni5B3)3,-6.4202138395,-0.425657025,0.0,-0.0173474699,GGA,Cmce,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Lu-Ni,104.0,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Lu-Ni +mp-1193129,Lu2(Ni7B2)3,-6.2480680562,-0.3687190236,0.0,-0.0100697455,GGA,Fm-3m,A6B2C21_cF116_225_e_c_afh:B-Lu-Ni,29.0,A6B2C21_cF116_225_e_c_afh:B-Lu-Ni +mp-11723,ErNiC2,-7.545172815,-0.3438761963,0.0,-0.039250924,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Er-Ni,4.0,A2BC_oC8_38_d_b_a:C-Er-Ni +mp-1199522,Er2(Ni5B3)3,-6.4190554002,-0.4209010249,0.0,-0.0058688524,GGA,Cmce,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Er-Ni,104.0,A9B2C15_oC208_64_d2f3g_ef_abef6g:B-Er-Ni +mp-1101842,LuNi4B,-6.2364210242,-0.5162728557,0.0,-0.0387153028,GGA,P6/mmm,ABC4_hP12_191_c_ab_di:B-Lu-Ni,12.0,ABC4_hP12_191_c_ab_di:B-Lu-Ni +mp-865141,Lu4Ni13C4,-6.5579271338,-0.3607728057,0.0,-0.0260646902,GGA,Cmmm,A4B4C13_oC42_65_eg_hj_afj2p:C-Lu-Ni,21.0,A4B4C13_oC42_65_eg_hj_afj2p:C-Lu-Ni +mp-1197229,Er11(Ni10C)6,-6.1605377879,-0.2848871299,0.0034972472,0.0034972472,GGA,Im-3m,A6B11C60_cI154_229_e_bf_dejk:C-Er-Ni,77.0,A6B11C60_cI154_229_e_bf_dejk:C-Er-Ni +mp-28147,Er4Ni13C4,-6.5624108662000005,-0.3563482924,0.0,-0.0141692764,GGA,Cmmm,A4B4C13_oC42_65_eg_hj_afj2p:C-Er-Ni,21.0,A4B4C13_oC42_65_eg_hj_afj2p:C-Er-Ni +mp-1188616,Er3Ni13B2,-6.1283661094,-0.4503818421,3.04183e-05,3.04183e-05,GGA,P6/mmm,A2B3C13_hP18_191_c_ae_ghi:B-Er-Ni,18.0,A2B3C13_hP18_191_c_ae_ghi:B-Er-Ni +mp-1197355,Er2(Ni2B)5,-6.3789550326,-0.4769689577,0.0,-0.0098411307,GGA,Pbca,A5B2C10_oP136_61_5c_2c_10c:B-Er-Ni,136.0,A5B2C10_oP136_61_5c_2c_10c:B-Er-Ni +mp-504627,Er4NiB13,-6.6611947242,-0.5010222275,0.092007079,0.092007079,GGA,P4/mnc,A13B4C_tP36_128_agi_h_b:B-Er-Ni,36.0,"Invalid WP multiplicities - A13B4C_tP36_128_2a6g7i_h_b:B-Er-Ni, expected Er4NiB82 to be Er4NiB13" +mp-1203980,Lu11(Ni10C)6,-6.1612999557,-0.292330482,0.0,-0.000668232,GGA,Im-3m,A6B11C60_cI154_229_e_bf_dejk:C-Lu-Ni,77.0,A6B11C60_cI154_229_e_bf_dejk:C-Lu-Ni +mp-1001603,LuNiC2,-7.53354357,-0.3439390237,0.0,-0.0215727715,GGA,Amm2,A2BC_oC8_38_d_b_a:C-Lu-Ni,4.0,A2BC_oC8_38_d_b_a:C-Lu-Ni +mp-1225907,Er4LuNi10(B2C)5,-6.9636549197,-0.5126403286,0.0081860623,0.0081860623,GGA,C2/m,A10B5C4DE10_mC60_12_5i_a2i_2i_c_5i:B-C-Er-Lu-Ni,30.0,"Invalid WP multiplicities - A10B5C4DE10_mC60_12_10i_a3i_3i_d_10i:B-C-Er-Lu-Ni, expected Er6LuNi20B20C7 to be Er4LuNi10(B2C)5" +mp-1200891,Lu4NiB13,-6.6745252439,-0.5247457005,0.0697627083,0.0697627083,GGA,P4/mnc,A13B4C_tP36_128_agi_h_b:B-Lu-Ni,36.0,A13B4C_tP36_128_agi_h_b:B-Lu-Ni +mp-6188,LuNiBC,-7.11823066,-0.5659445442000001,0.0,-0.060095373,GGA,P4/nmm,ABCD_tP8_129_c_c_c_a:B-C-Lu-Ni,8.0,ABCD_tP8_129_c_c_c_a:B-C-Lu-Ni +mp-865491,LuNiB4,-6.7379295071000005,-0.5681537932,0.0,-0.0355518602,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Lu-Ni,24.0,A4BC_oP24_55_4h_g_g:B-Lu-Ni +mp-6544,LuNi2B2C,-6.9637063633,-0.5189275443,0.0,-0.0212524795,GGA,I4/mmm,A2BCD2_tI12_139_e_a_b_d:B-C-Lu-Ni,6.0,A2BCD2_tI12_139_e_a_b_d:B-C-Lu-Ni +mp-8771,Lu2(NiB2)3,-6.6401316318,-0.5984351132,0.0,-0.031641924,GGA,Cmmm,A6B2C3_oC22_65_gp_j_ah:B-Lu-Ni,11.0,A6B2C3_oC22_65_gp_j_ah:B-Lu-Ni +mp-1078704,ErNiBC,-7.1078371513,-0.5438589629,0.0,-0.0555156389,GGA,P4/nmm,ABCD_tP8_129_c_c_c_a:B-C-Er-Ni,8.0,ABCD_tP8_129_c_c_c_a:B-C-Er-Ni +mp-1201895,Er3Ni19B10,-6.3880092275,-0.4405195069,0.0013586714,0.0013586714,GGA,C2/m,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Er-Ni,32.0,A10B3C19_mC64_12_g2j_ai_c3i3j:B-Er-Ni +mp-865190,Lu3Ni7B2,-6.17515506,-0.5599390715,0.0,-0.0211028804,GGA,P6_3/mmc,A2B3C7_hP24_194_bc_df_ak:B-Lu-Ni,24.0,A2B3C7_hP24_194_bc_df_ak:B-Lu-Ni +mp-1521336,KGdHfTiO6,-9.668259944,-3.3963264939,0.1822360362,0.1822360362,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Gd-Hf-K-O-Ti,10.0,ABCD6E_cF40_216_c_a_d_f_b:Gd-Hf-K-O-Ti +mp-1179297,Si2SbC7Cl2,-6.4463286742,0.4934520815,0.9073185051,0.9073185051,GGA,P2_1/c,A7B2CD2_mP48_14_7e_2e_e_2e:C-Cl-Sb-Si,48.0,A7B2CD2_mP48_14_7e_2e_e_2e:C-Cl-Sb-Si +mp-1202312,Si4SbH38C14Cl,-5.1444684767,-0.21681819,0.0554034214,0.0554034214,GGA,P2_1/c,A14BC38DE4_mP232_14_14e_e_38e_e_4e:C-Cl-H-Sb-Si,232.0,A14BC38DE4_mP232_14_14e_e_38e_e_4e:C-Cl-H-Sb-Si +mp-1180294,Na2Cu(SO5)2,-5.80319956,-1.5042632865,0.1463653403,0.1463653403,GGA,P2_1/c,AB2C10D2_mP30_14_a_e_5e_e:Cu-Na-O-S,30.0,AB2C10D2_mP30_14_a_e_5e_e:Cu-Na-O-S +mp-1180173,NaAgSO5,-5.0755186481,-0.9473968081,0.5944455137,0.5944455137,GGA,P-1,ABC5D_aP16_2_i_i_5i_i:Ag-Na-O-S,16.0,ABC5D_aP16_2_i_i_5i_i:Ag-Na-O-S +mp-11147,Na5CuSO2,-4.0754733278,-1.326399947,0.0,-0.0086363917,GGA,P4/mmm,AB5C2D_tP9_123_b_ai_g_c:Cu-Na-O-S,9.0,AB5C2D_tP9_123_b_ai_g_c:Cu-Na-O-S +mp-1104602,Cu2Ag(SO5)2,-5.8120462487,-1.2273291694,0.0650388788,0.0650388788,GGA,C2/m,AB2C10D2_mC30_12_a_f_3ij_i:Ag-Cu-O-S,15.0,AB2C10D2_mC30_12_a_e_3ij_i:Ag-Cu-O-S +mp-1196210,NaAg(SO2)2,-5.0999882806,-1.0731462962,0.5294700585000001,0.5294700585000001,GGA,Pc,ABC4D2_mP32_7_2a_2a_8a_4a:Ag-Na-O-S,32.0,ABC4D2_mP32_7_2a_2a_8a_4a:Ag-Na-O-S +mp-1232330,Na2CuAg2(SO)2,-4.1495709278,-0.7522768811,0.4375499381,0.4375499381,GGA,I4/mmm,A2BC2D2E2_tI18_139_d_a_e_c_e:Ag-Cu-Na-O-S,9.0,A2BC2D2E2_tI18_139_d_a_e_c_e:Ag-Cu-Na-O-S +mp-1103905,NaCu2(SO5)2,-5.942612,-1.4585636347,0.040287075,0.040287075,GGA,C2/m,A2BC10D2_mC30_12_f_a_3ij_i:Cu-Na-O-S,15.0,A2BC10D2_mC30_12_e_a_3ij_i:Cu-Na-O-S +mp-1192874,NaAgS2O3,-5.3139949093,-1.4185596001,0.0793390607,0.0793390607,GGA,P2_1/c,ABC3D2_mP28_14_e_e_3e_2e:Ag-Na-O-S,28.0,ABC3D2_mP28_14_e_e_3e_2e:Ag-Na-O-S +mp-20069,CoPb2WO6,-7.472581605,-1.7553941617,0.0285450582,0.0285450582,GGA+U,C2/m,AB6C2D_mC20_12_a_ij_i_d:Co-O-Pb-W,20.0,AB6C2D_mC20_12_a_ij_i_c:Co-O-Pb-W +mp-2217979,MgCoPb2WO6,-6.9894500855,-1.6465269507,0.3001235589,0.3001235589,GGA+U,P-1,ABC6D2E_aP11_2_d_a_3i_i_c:Co-Mg-O-Pb-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_d_a_5i_i_c:Co-Mg-O-Pb-W, expected MgCoPb2WO10 to be MgCoPb2WO6" +mp-1044784,PrZn(WO3)2,-8.3966475375,-2.2329433283,0.1769918703,0.1769918703,GGA+U,Pc,A6BC2D_mP20_7_6a_a_2a_a:O-Pr-W-Zn,20.0,"Invalid WP multiplicities - A6BC2D_mP20_7_12a_a_4a_a:O-Pr-W-Zn, expected PrZn(WO3)4 to be PrZn(WO3)2" +mp-1875676,Ca2SnWO6,-7.682105665,-2.6162022538,0.0708531903,0.0708531903,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Sn-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Sn-W +mp-1386257,Ca2SnWO6,-1.913797853,3.1521055583,5.8391610023,5.8391610023,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Sn-W,10.0,A2B6CD_aP10_1_2a_6a_a_a:Ca-O-Sn-W +mp-1323850,Ca2SnWO6,-7.644723421,-2.5788200098000003,0.1082354343,0.1082354343,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Ca-O-Sn-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Ca-O-Sn-W +mp-1516574,CaMnSnWO6,-7.981055722,-2.1995107695,0.177349705,0.177349705,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sn-W +mp-1522475,SmEuNbVO6,-9.428229306,-3.0441361748,0.1683589244,0.1683589244,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sm-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sm-V +mp-2241177,KMgCo2(MoO5)2,-7.4294514881,-1.9241076182,0.0883812496,0.0883812496,GGA+U,P1,A2BCD2E10_aP16_1_2a_a_a_2a_10a:Co-K-Mg-Mo-O,16.0,A2BCD2E10_aP16_1_2a_a_a_2a_10a:Co-K-Mg-Mo-O +mp-1234218,K8MgCo2(Mo4O15)2,-7.3268230659,-2.0234359346,0.1122786226,0.1122786226,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-1234293,K8MgCo2(Mo4O15)2,-7.3076219545,-2.0042348232,0.131479734,0.131479734,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-2216956,K8MgCo2(Mo4O15)2,-7.3221727549,-2.0187856236,0.1169289336,0.1169289336,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-2217025,K8MgCo2(Mo4O15)2,-7.3535502765,-2.0501631452,0.0855514119,0.0855514119,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-2217052,K8MgCo2(Mo4O15)2,-7.3304956145,-2.0271084832,0.108606074,0.108606074,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-2216742,K8MgCo2(Mo4O15)2,-7.3207032141,-2.0173160828,0.1183984744,0.1183984744,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-2216869,K8MgCo2(Mo4O15)2,-7.3434740833,-2.040086952,0.0956276052,0.0956276052,GGA+U,P1,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O,49.0,A2B8CD8E30_aP49_1_2a_8a_a_8a_30a:Co-K-Mg-Mo-O +mp-1233989,K8MgCo2(Mo4O15)2,-7.3352798716,-2.0318927403,0.1038218168,0.1038218168,GGA+U,P3,A2B8CD8E30_hP49_143_ab_2c2d_a_ab2d_10d:Co-K-Mg-Mo-O,49.0,"Invalid WP multiplicities - A2B8CD8E30_hP49_143_ab_2c4d_a_ab6d_29d:Co-K-Mg-Mo-O, expected K14MgCo2Mo20O87 to be K8MgCo2(Mo4O15)2" +mp-1032180,KMg6CoO8,-5.9341592806,-2.3470401099,0.3225710322,0.3225710322,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Co-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Co-K-Mg-O, expected KMg6CoO12 to be KMg6CoO8" +mp-1032284,KMg6CoO8,-5.9733395425,-2.3862203717,0.2833907703,0.2833907703,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Co-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Co-K-Mg-O, expected KMg6CoO12 to be KMg6CoO8" +mp-562390,K4CoMo4O15,-7.4257803869,-2.0452451914,0.0338518503,0.0338518503,GGA+U,P-3,AB4C4D15_hP48_147_d_abg_dg_5g:Co-K-Mo-O,48.0,"Invalid WP multiplicities - AB4C4D15_hP48_147_d_ab2g_2d3g_24g:Co-K-Mo-O, expected K7CoMo11O72 to be K4CoMo4O15" +mp-2222778,K2Mg(CoO2)2,-5.81336352,-1.6106448112,0.1523692533,0.1523692533,GGA+U,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Co-K-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Co-K-Mg-O +mp-2222888,K2Mg(CoO2)2,-5.8146278122,-1.6119091034,0.1511049611,0.1511049611,GGA+U,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Co-K-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Co-K-Mg-O +mp-2222759,K2Mg(CoO2)2,-5.5467387933,-1.3440200846,0.41899398,0.41899398,GGA+U,C2/m,A2B2CD4_mC18_12_i_i_a_2i:Co-K-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_mC18_12_i_i_a_3i:Co-K-Mg-O, expected K2Mg(CoO3)2 to be K2Mg(CoO2)2" +mp-2228169,K2Mg(CoO2)2,-5.7501800644,-1.5474613557,0.2155527089,0.2155527089,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O +mp-2239890,K2Mg(CoO2)2,-5.8257765278,-1.623057819,0.1399562456,0.1399562456,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O +mp-2240424,K2Mg(CoO2)2,-5.8322109422,-1.6294922334000002,0.1335218311,0.1335218311,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Co-K-Mg-O +mp-2240456,K2Mg(CoO2)2,-5.4346914967,-1.2319727879,0.5310412767,0.5310412767,GGA+U,P4mm,A2B2CD4_tP9_99_ab_ab_a_abc:Co-K-Mg-O,9.0,A2B2CD4_tP9_99_ab_ab_a_abc:Co-K-Mg-O +mp-2223055,K2Mg(CoO2)2,-5.5256921867,-1.3229734779,0.4400405867,0.4400405867,GGA+U,P-4m2,A2B2CD4_tP9_115_g_g_c_abg:Co-K-Mg-O,9.0,A2B2CD4_tP9_115_g_g_c_abg:Co-K-Mg-O +mp-1035155,KMg14CoO16,-6.1622936006,-2.7319918249,0.1298338958,0.1298338958,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Co-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Co-K-Mg-O, expected KMg18CoO20 to be KMg14CoO16" +mp-1035173,KMg14CoO16,-6.1552801562,-2.7249783806,0.1368473402,0.1368473402,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Co-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Co-K-Mg-O, expected KMg30CoO32 to be KMg14CoO16" +mp-2222144,KCo2(MoO5)2,-7.395479378,-1.62979792,0.1011317835,0.1011317835,GGA+U,P-1,A2BC2D10_aP15_2_ae_b_i_5i:Co-K-Mo-O,15.0,"Invalid WP multiplicities - A2BC2D10_aP15_2_ae_b_i_7i:Co-K-Mo-O, expected KCo2(MoO7)2 to be KCo2(MoO5)2" +mp-1103899,KCo2(MoO5)2,-7.39795786,-1.632276402,0.0986533015,0.0986533015,GGA+U,C2/m,A2BC2D10_mC30_12_f_a_i_3ij:Co-K-Mo-O,15.0,A2BC2D10_mC30_12_e_a_i_3ij:Co-K-Mo-O +mp-1037136,KMg30CoO32,-6.2539156613,-2.9020225831,0.055910427,0.055910427,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Co-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Co-K-Mg-O, expected KMg110CoO72 to be KMg30CoO32" +mp-1037121,KMg30CoO32,-6.2592907317,-2.9073976536,0.0505353565,0.0505353565,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Co-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Co-K-Mg-O, expected KMg90CoO80 to be KMg30CoO32" +mp-1022526,KMg6Co,-1.9131755969,0.3143740334,0.3319633366,0.3319633366,GGA,Amm2,ABC6_oC16_38_a_b_abde:Co-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Co-K-Mg, expected KMg12Co to be KMg6Co" +mp-561987,K2Co2(MoO4)3,-7.525927805,-1.8241042077,0.1073233161,0.1073233161,GGA+U,P2_1/c,A2B2C3D12_mP76_14_2e_2e_3e_12e:Co-K-Mo-O,76.0,"Invalid WP multiplicities - A2B2C3D12_mP76_14_5e_5e_9e_46e:Co-K-Mo-O, expected K5Co5Mo9O46 to be K2Co2(MoO4)3" +mp-705159,K2Co2(MoO4)3,-7.6018277353,-1.900004138,0.0314233857,0.0314233857,GGA+U,P2_1/c,A2B2C3D12_mP152_14_4e_4e_6e_24e:Co-K-Mo-O,152.0,"Invalid WP multiplicities - A2B2C3D12_mP152_14_14e_13e_23e_95e:Co-K-Mo-O, expected K13Co14Mo23O95 to be K2Co2(MoO4)3" +mp-1212168,K10CoMo7O27,-7.1762420878,-2.1164097936,0.0292274754,0.0292274754,GGA+U,Pmn2_1,AB10C7D27_oP90_31_a_2a4b_3a2b_5a11b:Co-K-Mo-O,90.0,AB10C7D27_oP90_31_a_2a4b_3a2b_5a11b:Co-K-Mo-O +mp-1211822,K4Co(MoO4)3,-7.2726274633,-2.1002710409,0.0,-0.0181903216,GGA+U,P-1,AB4C3D12_aP40_2_i_ad3i_3i_12i:Co-K-Mo-O,40.0,AB4C3D12_aP40_2_i_ad3i_3i_12i:Co-K-Mo-O +mp-1099088,KMg14Co,-1.7231803775,0.1907344626,0.2078013128,0.2078013128,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Co-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Co-K-Mg, expected KMg18Co to be KMg14Co" +mp-1027815,KMg14Co,-1.7251341056,0.1887807345,0.2058475846,0.2058475846,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Co-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Co-K-Mg, expected KMg26Co to be KMg14Co" +mp-556109,K6CoMo5O19,-7.2762883706,-2.0509319984,0.0652075589,0.0652075589,GGA+U,P2_1/c,AB6C5D19_mP124_14_e_6e_5e_19e:Co-K-Mo-O,124.0,"Invalid WP multiplicities - AB6C5D19_mP124_14_e_23e_17e_72e:Co-K-Mo-O, expected K23CoMo17O72 to be K6CoMo5O19" +mp-1208725,Sr3Fe2Ag2S2O5,-6.2798610193,-1.945576871,0.020730728,0.020730728,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Ag-Fe-O-S-Sr,28.0,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Ag-Fe-O-S-Sr +mp-1212721,FeAg(SO4)2,-6.5845129458,-1.6554307261,0.0092461531,0.0092461531,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ag-Fe-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Ag-Fe-O-S +mp-556640,CuBi(WO4)2,-7.991499046699999,-1.8723768842,0.0423008512,0.0423008512,GGA+U,P1,ABC8D2_aP12_1_a_a_8a_2a:Bi-Cu-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_7i_i:Bi-Cu-O-W, expected CuBi(WO7)2 to be CuBi(WO4)2" +mp-615173,CuBi(WO4)2,-7.979535305,-1.8604131425,0.0542645929,0.0542645929,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Bi-Cu-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_7i_i:Bi-Cu-O-W, expected CuBi(WO7)2 to be CuBi(WO4)2" +mp-2241115,MgCuBi(WO4)2,-7.7322916638,-1.9607727408,0.1410263846,0.1410263846,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Bi-Cu-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Bi-Cu-Mg-O-W +mp-1173376,Sr12Y4Fe8Co8O43,-7.1529179217,-2.0399294882,0.3414761803,0.3414761803,GGA+U,Pm,A8B8C43D12E4_mP75_6_4a4b_4c_5a6b16c_6c_2c:Co-Fe-O-Sr-Y,75.0,"Invalid WP multiplicities - A8B8C43D12E4_mP75_6_4a4b_7c_5a6b32c_11c_3c:Co-Fe-O-Sr-Y, expected Sr22Y6Fe14Co8O75 to be Sr12Y4Fe8Co8O43" +mp-1521309,Sr2SmVO6,-7.766068232,-3.0799070941,0.1560422221,0.1560422221,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-V,10.0,A6BC2D_cF40_225_e_a_c_b:O-Sm-Sr-V +mp-1522304,SrSmV4O12,-8.3070291906,-2.6345865015000003,0.1809453205,0.1809453205,GGA+U,P4/mmm,A12BCD4_tP18_123_efr_a_d_i:O-Sm-Sr-V,18.0,"Invalid WP multiplicities - A12BCD4_tP18_123_2e2fr_a_d_i:O-Sm-Sr-V, expected SrSmV4O16 to be SrSmV4O12" +mp-1519735,SrSmEuVO6,-8.5784098772,-3.0354979047,0.224972272,0.224972272,GGA+U,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Eu-O-Sm-Sr-V,,AB6CDE_oP40_16_abch_6u_u_defg_u:Eu-O-Sm-Sr-V +mp-1519755,SrSmEuVO6,-8.607727583,-3.0648156104,0.1956545662,0.1956545662,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sm-Sr-V,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sm-Sr-V +mp-1516802,CaNbVSnO6,-8.071085053000001,-2.5830335418,0.1909458107,0.1909458107,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sn-V,,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sn-V +mp-1043455,CaNiSnP2O9,-7.3744694009,-2.5786042702,0.0178216978,0.0178216978,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Sn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Sn +mp-1200304,VZnPbO5,-6.6739513703,-1.825233832,0.1265871896,0.1265871896,GGA+U,P2_12_12_1,A5BCD_oP32_19_5a_a_a_a:O-Pb-V-Zn,32.0,A5BCD_oP32_19_5a_a_a_a:O-Pb-V-Zn +mp-1203977,VZnPbO5,-6.6723776209,-1.8236600827,0.128160939,0.128160939,GGA+U,Pnma,A5BCD_oP32_62_3cd_c_c_a:O-Pb-V-Zn,32.0,A5BCD_oP32_62_3cd_c_c_a:O-Pb-V-Zn +mp-1205236,VZnPbO5,-6.5232230781,-1.6745055398000002,0.2773154818,0.2773154818,GGA+U,Pnma,A5BCD_oP32_62_a2cd_c_c_c:O-Pb-V-Zn,32.0,A5BCD_oP32_62_a2cd_c_c_c:O-Pb-V-Zn +mp-1046564,V5Zn4(TeO6)3,-6.9072888743,-1.9429948986,0.0955837638,0.0955837638,GGA+U,C2/c,A18B3C5D4_mC120_15_9f_af_e2f_2f:O-Te-V-Zn,60.0,"Invalid WP multiplicities - A18B3C5D4_mC120_15_35f_c2f_e4f_6f:O-Te-V-Zn, expected V9Zn12(TeO14)5 to be V5Zn4(TeO6)3" +mp-1190411,V2Zn3TePb3O14,-6.5216875583,-1.9355166004,0.0,-0.027602179,GGA+U,P321,A14B3CD2E3_hP23_150_d2g_e_a_d_f:O-Pb-Te-V-Zn,23.0,A14B3CD2E3_hP23_150_d2g_e_a_d_f:O-Pb-Te-V-Zn +mp-554700,V2Zn3TeO10,-6.6706971602,-2.0108699117,0.0,-0.007414198,GGA+U,P2_1/c,A10BC2D3_mP64_14_10e_e_2e_3e:O-Te-V-Zn,64.0,"Invalid WP multiplicities - A10BC2D3_mP64_14_38e_e_5e_8e:O-Te-V-Zn, expected V5Zn8TeO38 to be V2Zn3TeO10" +mp-557548,V2ZnPbO7,-7.3989308052,-2.1473831872,0.0112150078,0.0112150078,GGA+U,P2_1/c,A7BC2D_mP88_14_14e_2e_4e_2e:O-Pb-V-Zn,88.0,"Invalid WP multiplicities - A7BC2D_mP88_14_54e_4e_12e_4e:O-Pb-V-Zn, expected V6Zn2Pb2O27 to be V2ZnPbO7" +mp-1518195,SrCaVInO6,-7.140088412,-2.6190068719,0.180261375,0.180261375,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-In-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-In-O-Sr-V +mp-1521078,Sr2VInO6,-7.1586815,-2.6692106026,0.1185873537,0.1185873537,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:In-O-Sr-V +mp-1203045,Co9Te5(PbO5)6,-6.4979717746,-1.4906131070000002,0.0,-0.0125353848,GGA+U,P6_322,A9B30C6D5_hP100_182_bf2h_5i_2g_fh:Co-O-Pb-Te,100.0,A9B30C6D5_hP100_182_bf2h_5i_2g_fh:Co-O-Pb-Te +mp-1182822,CoTe(PbO2)2,-5.8269255625,-1.1439664783,0.2459074656,0.2459074656,GGA+U,C2/m,AB4C2D_mC16_12_a_j_i_d:Co-O-Pb-Te,8.0,AB4C2D_mC16_12_a_j_i_c:Co-O-Pb-Te +mp-756211,V2Co3Te3O16,-6.935168765,-1.5989311573,0.1151877396,0.1151877396,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Co-O-Te-V,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Co-O-Te-V, expected V2Co3Te3O20 to be V2Co3Te3O16" +mp-1079450,CoTe(PbO3)2,-6.2135735158,-1.4778685062,0.0419251819,0.0419251819,GGA+U,C2/m,AB6C2D_mC20_12_a_ij_i_d:Co-O-Pb-Te,40.0,AB6C2D_mC20_12_a_ij_i_c:Co-O-Pb-Te +mp-1188923,CoTe(PbO3)2,-6.117738998,-1.3820339884,0.1377596996,0.1377596996,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Co-O-Pb-Te,20.0,AB6C2D_mP20_14_a_3e_e_d:Co-O-Pb-Te +mp-1078906,CoTe(PbO3)2,-6.2145597665,-1.4788547569,0.0409389311,0.0409389311,GGA+U,R-3,AB6C2D_hR30_148_a_f_c_b:Co-O-Pb-Te,40.0,AB6C2D_hR30_148_a_f_c_b:Co-O-Pb-Te +mp-20221,CoTe(PbO3)2,-6.094182423,-1.3584774134,0.1613162746,0.1613162746,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Co-O-Pb-Te,10.0,AB6C2D_cF40_225_a_e_c_b:Co-O-Pb-Te +mp-1008631,VCoTe,-6.6071393733,-0.1619627872,0.2435880082,0.2435880082,GGA,F-43m,ABC_cF12_216_c_a_b:Co-Te-V,3.0,ABC_cF12_216_c_a_b:Co-Te-V +mp-775162,V3Co3(TeO8)2,-7.2829397154,-1.6991771003,0.1369242389,0.1369242389,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Co-O-Te-V,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Co-O-Te-V +mp-1198906,V2Co3TePb3O14,-7.1649816898,-1.8159532295,0.0,-0.0273453237,GGA+U,P2,A3B14C3DE2_mP138_3_3c3d6e_42e_3a3b6e_3a3b_6e:Co-O-Pb-Te-V,138.0,A3B14C3DE2_mP138_3_3a3d6e_42e_3b3c6e_3b3c_6e:Co-O-Pb-Te-V +mp-1203643,V2Co2PbO8,-7.7660708027,-1.9452550727,0.0055348163,0.0055348163,GGA+U,I4_1cd,A2B8CD2_tI104_110_b_4b_a_b:Co-O-Pb-V,52.0,A2B8CD2_tI104_110_b_4b_a_b:Co-O-Pb-V +mp-1666719,CoSb(PO4)2,-7.372613891,-2.2361610795,0.0447995385,0.0447995385,GGA+U,P1,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb,48.0,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb +mp-1666679,CoSb(PO4)2,-7.3690421519,-2.2325893403,0.0483712777,0.0483712777,GGA+U,P1,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb,48.0,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb +mp-1983135,CoSb(PO4)2,-7.3211879317,-2.1847351201,0.0962254979,0.0962254979,GGA+U,P1,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb,48.0,AB8C2D_aP48_1_4a_32a_8a_4a:Co-O-P-Sb +mp-1647282,CoSb(PO4)2,-7.3696720454,-2.2332192339,0.0477413842,0.0477413842,GGA+U,P-1,AB8C2D_aP48_2_2i_16i_4i_2i:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_aP48_2_3i_27i_6i_3i:Co-O-P-Sb, expected CoSbP2O9 to be CoSb(PO4)2" +mp-1645522,CoSb(PO4)2,-7.3647611433,-2.2283083318,0.0526522863,0.0526522863,GGA+U,P-1,AB8C2D_aP48_2_2i_16i_4i_2i:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_aP48_2_3i_27i_6i_3i:Co-O-P-Sb, expected CoSbP2O9 to be CoSb(PO4)2" +mp-1983740,CoSb(PO4)2,-7.3744609175,-2.238008106,0.0429525121,0.0429525121,GGA+U,P-1,AB8C2D_aP48_2_2i_16i_4i_2i:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_aP48_2_2i_32i_8i_4i:Co-O-P-Sb, expected CoSb2(PO4)4 to be CoSb(PO4)2" +mp-1987201,CoSb(PO4)2,-7.3743237065,-2.2378708949,0.0430897231,0.0430897231,GGA+U,P-1,AB8C2D_aP48_2_2i_16i_4i_2i:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_aP48_2_3i_27i_6i_3i:Co-O-P-Sb, expected CoSbP2O9 to be CoSb(PO4)2" +mp-775019,CoSb(PO4)2,-7.337110064,-2.2006572524,0.0803033656,0.0803033656,GGA+U,P2_1/m,AB8C2D_mP48_11_2e_8e4f_4e_2e:Co-O-P-Sb,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-Sb +mp-1650698,CoSb(PO4)2,-7.3377907648,-2.2013379533,0.0796226648,0.0796226648,GGA+U,P2_1/m,AB8C2D_mP48_11_2e_8e4f_4e_2e:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_mP48_11_2e_16e16f_8e_4e:Co-O-P-Sb, expected CoSb2(PO6)4 to be CoSb(PO4)2" +mp-1642125,CoSb(PO4)2,-7.3430149952,-2.2065621837,0.0743984344,0.0743984344,GGA+U,P2_1/m,AB8C2D_mP48_11_2e_8e4f_4e_2e:Co-O-P-Sb,48.0,"Invalid WP multiplicities - AB8C2D_mP48_11_3e_16e16f_8e_4e:Co-O-P-Sb, expected Co3Sb4(PO6)8 to be CoSb(PO4)2" +mp-754002,Co3Sb(PO4)4,-7.3827186433,-2.122127642,0.0937360731,0.0937360731,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Sb +mp-775217,CoSb3(PO4)6,-7.2979044597,-2.277443706,0.0047259246,0.0047259246,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Co-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Co-O-P-Sb, expected CoSb3(PO10)6 to be CoSb3(PO4)6" +mp-1376673,MgBiPO6,-6.6150186728,-2.1112182334,0.2324492397,0.2324492397,GGA,P2_1/m,ABC6D_mP18_11_e_e_2e2f_e:Bi-Mg-O-P,18.0,"Invalid WP multiplicities - ABC6D_mP18_11_e_e_3e6f_e:Bi-Mg-O-P, expected MgBiPO15 to be MgBiPO6" +mp-1199340,MgBi4(PO6)2,-6.9030540679,-2.316259009,0.0,-0.0098387836,GGA,Pbca,A4BC12D2_oP152_61_4c_c_12c_2c:Bi-Mg-O-P,152.0,A4BC12D2_oP152_61_4c_c_12c_2c:Bi-Mg-O-P +mp-1233703,MgBi4(P2O7)4,-7.2915822437,-2.443388572,0.0400710555,0.0400710555,GGA,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Bi-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Bi-Mg-O-P +mp-2216235,MgBi4(P2O7)4,-7.2677050154,-2.4195113437,0.0639482838,0.0639482838,GGA,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Bi-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Bi-Mg-O-P +mp-1043828,MgTiBi(PO4)3,-7.6862919117,-2.7453789532,0.0978344368,0.0978344368,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Bi-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Bi-Mg-O-P-Ti, expected MgTiBi(PO18)3 to be MgTiBi(PO4)3" +mp-1234191,MgBi8(PO4)8,-7.0469352861,-2.2729627983,0.1725188342,0.1725188342,GGA,P1,A8BC32D8_aP49_1_8a_a_32a_8a:Bi-Mg-O-P,49.0,A8BC32D8_aP49_1_8a_a_32a_8a:Bi-Mg-O-P +mp-1234463,MgBi8(PO4)8,-7.0786988578,-2.3047263699,0.1407552626,0.1407552626,GGA,P1,A8BC32D8_aP49_1_8a_a_32a_8a:Bi-Mg-O-P,49.0,A8BC32D8_aP49_1_8a_a_32a_8a:Bi-Mg-O-P +mp-558660,Mg2BiPO6,-6.9359454953,-2.7224970948,0.0,-0.0084436397,GGA,Pnma,AB2C6D_oP40_62_c_2c_2c2d_c:Bi-Mg-O-P,40.0,"Invalid WP multiplicities - AB2C6D_oP40_62_c_5c_7c11d_c:Bi-Mg-O-P, expected Mg5BiPO29 to be Mg2BiPO6" +mp-555257,Mg2BiPO6,-6.935160517,-2.7217121166,0.0007849783,-0.0076586615,GGA,Cmcm,AB2C6D_oC40_63_c_g_efg_c:Bi-Mg-O-P,20.0,"Invalid WP multiplicities - AB2C6D_oC40_63_c_g_3e3f3g_c:Bi-Mg-O-P, expected Mg2BiPO18 to be Mg2BiPO6" +mp-1327704,MgBi2P2O9,-7.0385373811,-2.4222472579,0.1131792673,0.1131792673,GGA,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Bi-Mg-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Bi-Mg-O-P, expected MgBi2P2O11 to be MgBi2P2O9" +mp-1372043,Mg3Bi2(PO6)2,-6.74949828,-2.3985147032,0.1659173747,0.1659173747,GGA,Pm,A2B3C12D2_mP19_6_ab_2ab_2a2b4c_ab:Bi-Mg-O-P,19.0,"Invalid WP multiplicities - A2B3C12D2_mP19_6_ab_2ab_2a2b7c_ab:Bi-Mg-O-P, expected Mg3Bi2(PO9)2 to be Mg3Bi2(PO6)2" +mp-1380389,Mg3Bi2(PO6)2,-6.7561169450000005,-2.4051333682,0.1592987097,0.1592987097,GGA,Pm,A2B3C12D2_mP38_6_2a2b_2a4b_4a4b8c_2a2b:Bi-Mg-O-P,38.0,"Invalid WP multiplicities - A2B3C12D2_mP38_6_2a2b_2a4b_4a4b16c_2a2b:Bi-Mg-O-P, expected Mg3Bi2(PO10)2 to be Mg3Bi2(PO6)2" +mp-1043476,MgBi2(PO5)2,-6.5800094143,-1.9416927186,0.4330664161,0.4330664161,GGA,Fdd2,A2BC10D2_oF120_43_b_a_5b_b:Bi-Mg-O-P,30.0,"Invalid WP multiplicities - A2BC10D2_oF120_43_b_a_13b_b:Bi-Mg-O-P, expected MgBi2(PO13)2 to be MgBi2(PO5)2" +mp-1041145,MgBi3P3O13,-7.0465904333,-2.3631600229,0.1380575329,0.1380575329,GGA,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Bi-Mg-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Bi-Mg-O-P, expected MgBi5P3O34 to be MgBi3P3O13" +mp-1043109,ZnFeNiP2O9,-7.1312711038,-2.0700778956,0.0875472805,0.0875472805,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Fe-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Fe-Ni-O-P-Zn +mp-562985,CoSiC4Cl3O4,-6.8387215965,-1.0863629335,0.3840053967,0.3840053967,GGA+U,P2_1/c,A4B3CD4E_mP52_14_4e_3e_e_4e_e:C-Cl-Co-O-Si,52.0,"Invalid WP multiplicities - A4B3CD4E_mP52_14_10e_10e_e_15e_e:C-Cl-Co-O-Si, expected CoSiC10(Cl2O3)5 to be CoSiC4Cl3O4" +mp-557213,Te2Xe(OF5)2,-4.2853689582,-1.9299720879,0.046937013,0.046937013,GGA,P2_1/c,A10B2C2D_mP60_14_10e_2e_2e_ab:F-O-Te-Xe,60.0,"Invalid WP multiplicities - A10B2C2D_mP60_14_37e_5e_3e_ad:F-O-Te-Xe, expected Te3XeO5F37 to be Te2Xe(OF5)2" +mp-1208322,Te4Xe(OF5)4,-4.40187261,-1.9665025432,0.0785758371,0.0785758371,GGA,P-1,A20B4C4D_aP29_2_10i_2i_2i_a:F-O-Te-Xe,29.0,A20B4C4D_aP29_2_10i_2i_2i_a:F-O-Te-Xe +mp-1192364,HgTe2(OF5)2,-4.482473727,-2.1092431104,0.0,-0.024026696,GGA,C2/c,A10BC2D2_mC60_15_5f_e_f_f:F-Hg-O-Te,30.0,A10BC2D2_mC60_15_5f_e_f_f:F-Hg-O-Te +mp-1195320,Te2Xe(O2F5)2,-4.180563196,-1.5203084621,0.2240230975,0.2240230975,GGA,P2_1/c,A10B4C2D_mP68_14_10e_4e_2e_e:F-O-Te-Xe,68.0,A10B4C2D_mP68_14_10e_4e_2e_e:F-O-Te-Xe +mp-1192381,HgTeO3F,-4.6611171333,-1.2946952401,0.1297097264,0.1297097264,GGA,Pca2_1,ABC3D_oP24_29_a_a_3a_a:F-Hg-O-Te,24.0,ABC3D_oP24_29_a_a_3a_a:F-Hg-O-Te +mp-1194957,Hg2Te4Xe3(O2F13)2,-3.9309347917,-1.8085164631,0.0800583286,0.0800583286,GGA,P2_1/c,A26B2C4D4E3_mP78_14_13e_e_2e_2e_ae:F-Hg-O-Te-Xe,78.0,A26B2C4D4E3_mP78_14_13e_e_2e_2e_ae:F-Hg-O-Te-Xe +mp-1178276,GaPtO2,-6.2850665925,-1.5369149012,0.0627028872,0.0627028872,GGA,R-3m,AB2C_hR12_166_a_c_b:Ga-O-Pt,4.0,AB2C_hR12_166_a_c_b:Ga-O-Pt +mp-1178335,GaPtO2,-6.2820247612,-1.53387307,0.0657447184,0.0657447184,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Ga-O-Pt,8.0,AB2C_hP8_194_a_f_c:Ga-O-Pt +mp-40373,In14Ga3Pt2O8F15,-5.2044682338,-2.1569486831,0.0,-0.0426853388,GGA,R-3,A15B3C14D8E2_hR126_148_ac2f_bc_c2f_cf_c:F-Ga-In-O-Pt,42.0,"Invalid WP multiplicities - A15B3C14D8E2_hR126_148_a2c3f_b2c_2c3f_2cf_c:F-Ga-In-O-Pt, expected In22Ga5Pt2O10F23 to be In14Ga3Pt2O8F15" +mp-675449,Pt4(O3F8)3,-4.0493104665,-0.9498448746,0.1744491652,0.1744491652,GGA,P1,A24B9C4_aP37_1_24a_9a_4a:F-O-Pt,37.0,A24B9C4_aP37_1_24a_9a_4a:F-O-Pt +mp-541474,Pt(OF3)2,-4.2036782683,-1.1555244297,0.0,-0.0205992789,GGA,Ia-3,A6B2C_cI72_206_e_c_a:F-O-Pt,36.0,A6B2C_cI72_206_e_c_a:F-O-Pt +mp-21084,In6Ga2PtO8,-5.7907459371000005,-1.7783378526,0.0,-0.0470153856,GGA,Fm-3m,A2B6C8D_cF68_225_c_e_f_a:Ga-In-O-Pt,17.0,A2B6C8D_cF68_225_c_e_f_a:Ga-In-O-Pt +mp-1520833,KLaHfNbO6,-8.892459298,-3.313956059,0.1049290749,0.1049290749,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Hf-K-La-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Hf-K-La-Nb-O +mp-1519948,KPrEuSbO6,-7.6169109432,-2.6211669423,0.140069134,0.140069134,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-K-O-Pr-Sb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-K-O-Pr-Sb, expected K2PrEuSbO12 to be KPrEuSbO6" +mp-1517261,KPrEuSbO6,-7.56601546,-2.570271459,0.1909646173,0.1909646173,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Pr-Sb +mp-1520019,KPrEuSbO6,-7.568867387,-2.573123386,0.1881126903,0.1881126903,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Pr-Sb +mp-1520937,SrEuYSbO6,-8.239270969,-3.0170609816,0.0661367916,0.0661367916,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Y,10.0,AB6CDE_cF40_216_c_f_a_d_b:Eu-O-Sb-Sr-Y +mp-1202413,CaU2(SiO8)2,-7.5446355124,-2.0881557343,0.5898616698,0.5898616698,GGA,P2_1/c,AB16C2D2_mP84_14_e_16e_2e_2e:Ca-O-Si-U,84.0,AB16C2D2_mP84_14_e_16e_2e_2e:Ca-O-Si-U +mp-1227091,Ca4UAl2(SiO5)3,-7.987144482,-3.2958946441,0.1970207374,0.1970207374,GGA,R-3m,A2B4C15D3E_hR75_166_c_2c_d2h_ac_b:Al-Ca-O-Si-U,25.0,"Invalid WP multiplicities - A2B4C15D3E_hR75_166_c_3c_2d9h_a2c_b:Al-Ca-O-Si-U, expected Ca6UAl2(SiO12)5 to be Ca4UAl2(SiO5)3" +mp-1198547,CaU2Si2O17,-7.4613485534,-2.0280410965,0.5282482437,0.5282482437,GGA,P2_1/c,AB17C2D2_mP88_14_e_17e_2e_2e:Ca-O-Si-U,88.0,AB17C2D2_mP88_14_e_17e_2e_2e:Ca-O-Si-U +mp-1199799,CaU2Si2O17,-7.3765516226,-1.9432441657,0.6130451745000001,0.6130451745000001,GGA,P2_1/c,AB17C2D2_mP88_14_e_17e_2e_2e:Ca-O-Si-U,88.0,AB17C2D2_mP88_14_e_17e_2e_2e:Ca-O-Si-U +mp-1198097,Sr2SnH18(SeO3)4,-5.2819640616,-1.4494900612,0.0,-0.0164217019,GGA,P-1,A18B12C4DE2_aP37_2_9i_6i_2i_a_i:H-O-Se-Sn-Sr,37.0,A18B12C4DE2_aP37_2_9i_6i_2i_a_i:H-O-Se-Sn-Sr +mp-1519421,BaTbEuWO6,-9.0628363875,-3.1179758538,0.0053630148,0.0053630148,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Tb-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Tb-W, expected BaTbEuWO12 to be BaTbEuWO6" +mp-1519471,BaTbEuWO6,-8.9649103,-3.0200497662,0.1032891023,0.1032891023,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Tb-W +mp-1223587,KBaGd(MoO4)3,-8.6245214494,-2.5688152832,0.0055134326,0.0055134326,GGA+U,C2,ABCD3E12_mC72_5_c_ab_c_ab2c_12c:Ba-Gd-K-Mo-O,36.0,ABCD3E12_mC72_5_c_ab_c_ab2c_12c:Ba-Gd-K-Mo-O +mp-1521963,NaCaGdWO6,-8.798573513000001,-2.7943225219,0.1562063373,0.1562063373,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-Na-O-W +mp-1211664,Na2Sr3Zr(C2O7)3,-7.161926213,-1.8433296231,0.435131457,0.435131457,GGA,P1,A6B2C21D3E_aP33_1_6a_2a_21a_3a_a:C-Na-O-Sr-Zr,33.0,A6B2C21D3E_aP33_1_6a_2a_21a_3a_a:C-Na-O-Sr-Zr +mp-1201776,CoN5ClO4,-5.6420974093,0.7602738566,1.3663205082,1.3663205082,GGA+U,I4_1/a,ABC5D4_tI88_88_e_e_e2f_2f:Cl-Co-N-O,44.0,ABC5D4_tI88_88_e_e_e2f_2f:Cl-Co-N-O +mp-1182276,CoN4Cl2O3,-5.8329685775,0.0661751174,0.6699220962,0.6699220962,GGA+U,P-1,A2BC4D3_aP20_2_2i_i_4i_3i:Cl-Co-N-O,20.0,A2BC4D3_aP20_2_2i_i_4i_3i:Cl-Co-N-O +mp-1215057,CoPdN5Cl5O,-5.1947081298,0.0483723503,0.5735665535000001,0.5735665535000001,GGA+U,P2_1/c,A5BC5DE_mP52_14_5e_e_5e_e_ac:Cl-Co-N-O-Pd,52.0,A5BC5DE_mP52_14_5e_e_5e_e_ac:Cl-Co-N-O-Pd +mp-1199578,CoN6(ClO)2,-6.0051991432,0.4236861375,0.8788477036000001,0.8788477036000001,GGA+U,P2_1/c,A2BC6D2_mP44_14_2e_e_6e_2e:Cl-Co-N-O,44.0,A2BC6D2_mP44_14_2e_e_6e_2e:Cl-Co-N-O +mp-1181896,CoN6(ClO)2,-5.2643318045,1.1645534761,1.6197150423000002,1.6197150423000002,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O +mp-1191221,CoN6(ClO)2,-5.8937491786,0.5351361020000001,0.9902976682,0.9902976682,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O +mp-1191297,CoN6(ClO)2,-5.7937379159,0.6351473648,1.0903089309,1.0903089309,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O +mp-1191322,CoN6(ClO)2,-6.5676566214,-0.1387713407,0.3163902255,0.3163902255,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O +mp-1192330,CoN6(ClO)2,-6.5321659095,-0.1032806289,0.3518809373,0.3518809373,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Cl-Co-N-O +mp-772570,CoNCl4O3,-4.5557071392,-0.369148751,0.2570535386,0.2570535386,GGA+U,Pnma,A4BCD3_oP36_62_2cd_c_c_cd:Cl-Co-N-O,36.0,"Invalid WP multiplicities - A4BCD3_oP36_62_7c2d_c_c_2c3d:Cl-Co-N-O, expected CoNCl11O8 to be CoNCl4O3" +mp-1214768,CoN7ClO5,-6.1564276407,0.4182696797,0.9680700889,0.9680700889,GGA+U,Pnma,ABC7D5_oP56_62_c_c_3c2d_3cd:Cl-Co-N-O,56.0,ABC7D5_oP56_62_c_c_3c2d_3cd:Cl-Co-N-O +mp-18919,CoPdO2,-6.363252945,-0.8178586881000001,0.2198809656,0.2198809656,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Co-O-Pd,4.0,AB2C_hR12_166_a_c_b:Co-O-Pd +mp-1247096,Co(PdN)2,-6.552054084,0.276160169,0.305713265,0.305713265,GGA,R-3m,AB2C2_hR15_166_a_c_c:Co-N-Pd,5.0,AB2C2_hR15_166_a_c_c:Co-N-Pd +mp-1194862,Sr2Zn3Te2(PO7)2,-6.4999250765,-2.4336174029,0.0,-0.013349592,GGA,P2_1/c,A14B2C2D2E3_mP46_14_7e_e_e_e_ae:O-P-Sr-Te-Zn,46.0,A14B2C2D2E3_mP46_14_7e_e_e_e_ae:O-P-Sr-Te-Zn +mp-1190181,Sr3Zn3Te(PO7)2,-6.642576147,-2.6394777098,0.0,-0.0230973612,GGA,P321,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Sr-Te-Zn,23.0,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Sr-Te-Zn +mp-21013,Cs2LiFe(CN)6,-7.6109650875,-0.2634206296,0.0815846473,0.0815846473,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Li-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Li-N +mp-1189338,Cs2LiFe(CN)6,-7.3935526637,-0.0460082059,0.298997071,0.298997071,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Li-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Li-N +mp-1200057,Li7La3(SnO6)2,-6.6873685035,-2.7061231024,0.0091295783,0.0091295783,GGA,I4_1/acd,A3B7C12D2_tI192_142_be_afg_3g_c:La-Li-O-Sn,96.0,A3B7C12D2_tI192_142_be_afg_3g_c:La-Li-O-Sn +mp-1223174,Li9La12(SnO6)8,-6.9184104579,-2.4258127431,0.1930660947,0.1930660947,GGA,I-4,A12B9C48D8_tI154_82_ef2g_a2g_12g_2g:La-Li-O-Sn,77.0,"Invalid WP multiplicities - A12B9C48D8_tI154_82_2e2f4g_a2g_36g_5g:La-Li-O-Sn, expected Li9La24(Sn5O36)4 to be Li9La12(SnO6)8" +mp-607931,Cs3NaLi2(BO3)2,-5.9611550229,-2.3279054548,0.0,-0.0221294461,GGA,P-1,A2B3C2DE6_aP28_2_2i_3i_2i_i_6i:B-Cs-Li-Na-O,28.0,"Invalid WP multiplicities - A2B3C2DE6_aP28_2_4i_5i_3i_i_12i:B-Cs-Li-Na-O, expected Cs5NaLi3(BO3)4 to be Cs3NaLi2(BO3)2" +mp-6708,RbNb2PS10,-5.9398135011,-1.0854602634,0.0,-0.0231991124,GGA,Pc,A2BCD10_mP28_7_2a_a_a_10a:Nb-P-Rb-S,28.0,A2BCD10_mP28_7_2a_a_a_10a:Nb-P-Rb-S +mp-1195102,RbAg5(PS4)2,-4.2605505808,-0.5692057034,0.0023283738,0.0023283738,GGA,Pbca,A5B2CD8_oP128_61_5c_2c_c_8c:Ag-P-Rb-S,128.0,A5B2CD8_oP128_61_5c_2c_c_8c:Ag-P-Rb-S +mp-1105212,Rb2AgPS4,-4.3369472338,-0.9928564684,0.0,-0.0175978135,GGA,P-1,ABC2D4_aP16_2_i_i_2i_4i:Ag-P-Rb-S,16.0,ABC2D4_aP16_2_i_i_2i_4i:Ag-P-Rb-S +mp-703865,Rb2Nb2P2S11,-5.7118925029,-1.0947612221,0.0169207409,0.0012821472,GGA,P1,A2B2C2D11_aP34_1_4a_4a_4a_22a:Nb-P-Rb-S,34.0,"Invalid WP multiplicities - A2B2C2D11_aP34_2_4i_4i_2i_21i:Nb-P-Rb-S, expected Rb2Nb4P4S21 to be Rb2Nb2P2S11" +mp-554147,Rb2Nb2P2S11,-5.7288132438,-1.111681963,0.0,-0.0156385937,GGA,P2_1/m,A2B2C2D11_mP34_11_f_2e_2e_7e2f:Nb-P-Rb-S,34.0,"Invalid WP multiplicities - A2B2C2D11_mP34_11_f_4e_2e_13e7f:Nb-P-Rb-S, expected Rb2Nb2P4S27 to be Rb2Nb2P2S11" +mp-14636,Rb2NbAgS4,-5.1956631375,-1.2655720555,0.0,-0.0496996808,GGA,Fddd,ABC2D4_oF64_70_a_b_e_h:Ag-Nb-Rb-S,16.0,ABC2D4_oF64_70_a_b_e_h:Ag-Nb-Rb-S +mp-1219639,RbNb4Ag(PS10)2,-5.9174315736,-0.9969346955,0.0,-0.0039707461,GGA,P1,AB4C2DE20_aP28_1_a_4a_2a_a_20a:Ag-Nb-P-Rb-S,28.0,AB4C2DE20_aP28_1_a_4a_2a_a_20a:Ag-Nb-P-Rb-S +mp-1190401,BaAgSbS3,-4.6685781667,-1.120264536,0.0,-0.006538302,GGA,C2/c,ABC3D_mC48_15_2e_f_3f_f:Ag-Ba-S-Sb,24.0,ABC3D_mC48_15_2e_f_3f_f:Ag-Ba-S-Sb +mp-984720,Ba2AgSb,-3.471999335,-0.7721225542,0.02448071,0.02448071,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ag-Ba-Sb,4.0,AB2C_cF16_225_a_c_b:Ag-Ba-Sb +mp-1195220,BaAgSbS3O,-4.7176339077,-0.9695524084,0.3955040786,0.3955040786,GGA,Pna2_1,ABCD3E_oP56_33_2a_2a_2a_6a_2a:Ag-Ba-O-S-Sb,56.0,ABCD3E_oP56_33_2a_2a_2a_6a_2a:Ag-Ba-O-S-Sb +mp-11213,BaAgSb,-3.3719851583,-0.4118077639,0.436702365,0.3049287602,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ag-Ba-Sb,6.0,ABC_hP6_194_a_c_d:Ag-Ba-Sb +mp-1205316,BaAgSb,-3.8086875233,-0.8485101289,0.0,-0.1317736048,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ag-Ba-Sb,6.0,ABC_hP6_194_c_a_d:Ag-Ba-Sb +mp-1097054,KCe2FeO6,-7.9275100655,-2.814836992,0.2378441073,0.2378441073,GGA+U,Pnma,A2BCD6_oP40_62_2c_c_c_2c2d:Ce-Fe-K-O,40.0,A2BCD6_oP40_62_2c_c_c_2c2d:Ce-Fe-K-O +mp-1097060,KCe2FeO5,-7.9479944069,-2.8168786266,0.2289522621,0.2289522621,GGA+U,Pna2_1,A2BCD5_oP36_33_2a_a_a_5a:Ce-Fe-K-O,36.0,"Invalid WP multiplicities - A2BCD5_oP36_33_2a_a_a_10a:Ce-Fe-K-O, expected KCe2FeO10 to be KCe2FeO5" +mp-1517776,KSrCeFeO6,-7.154023104,-2.4657096007,0.0952139187,0.0952139187,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ce-Fe-K-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ce-Fe-K-O-Sr +mp-1097037,K2Ce2Fe4O11,-7.7215705226,-2.3331159506,0.0888328835,0.0888328835,GGA+U,Cmmm,A2B4C2D11_oC38_65_j_2g_f_ag2hp:Ce-Fe-K-O,19.0,A2B4C2D11_oC38_65_j_2g_f_ag2hp:Ce-Fe-K-O +mp-1519763,BaCaZrWO6,-8.491525648,-2.9804718532,0.1942570016,0.1942570016,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-W-Zr +mp-736122,Ba3CaZrWO9,-7.9797217528,-3.060484822,0.1751592579,0.1751592579,GGA+U,P3m1,A3BC9DE_hP90_156_6a6b6c_2a2b2c_18d_2a2b2c_2a2b2c:Ba-Ca-O-W-Zr,90.0,"Invalid WP multiplicities - A3BC9DE_hP90_156_6a6b6c_2a2b2c_47d_2a2b2c_2a2b2c:Ba-Ca-O-W-Zr, expected Ba6Ca2Zr2W2O47 to be Ba3CaZrWO9" +mp-1228086,Ba2ZrWO6,-8.557388562,-3.0549972613,0.0764387542,0.0764387542,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-W-Zr,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-W-Zr +mp-556938,Pr30Ti24Se58I8O25,-6.9800318703,-2.3515077645,0.0,-0.0026257161,GGA,Fm-3m,A8B25C30D58E24_cF580_225_f_aj_ek_e2fhk_dei:I-O-Pr-Se-Ti,145.0,"Invalid WP multiplicities - A8B25C30D58E24_cF580_225_f_a2j_5e5k_5e16f10h16k_4d5e5i:I-O-Pr-Se-Ti, expected Pr150Ti114Se662I8O49 to be Pr30Ti24Se58I8O25" +mp-1193276,TiZn(OF)6,-4.5649465379,-0.9717864165,0.9281071763,0.9281071763,GGA,P2_1/c,A6B6CD_mP28_14_3e_3e_a_d:F-O-Ti-Zn,28.0,A6B6CD_mP28_14_3e_3e_a_b:F-O-Ti-Zn +mp-676448,CsTiZnOF5,-5.9366062817,-3.2083038875,0.0,-0.0122112785,GGA,Imma,AB5CDE_oI36_74_e_ej_e_a_c:Cs-F-O-Ti-Zn,18.0,"Invalid WP multiplicities - AB5CDE_oI36_74_e_2e3j_e_a_c:Cs-F-O-Ti-Zn, expected CsTiZnOF14 to be CsTiZnOF5" +mp-1208208,Y3Ga3(FeO6)2,-8.0607633139,-2.8215628958,0.0,-0.0230517935,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Fe-Ga-O-Y,80.0,A2B3C12D3_cI160_230_a_d_h_c:Fe-Ga-O-Y +mp-1216523,Y3Ga(FeO3)4,-8.4198831579,-2.636490221,0.0085577449,0.0085577449,GGA+U,I-42d,A4BC12D3_tI160_122_abde_d_6e_c2d:Fe-Ga-O-Y,80.0,"Invalid WP multiplicities - A4BC12D3_tI160_122_abde_d_12e_2c4d:Fe-Ga-O-Y, expected Y6Ga(FeO6)4 to be Y3Ga(FeO3)4" +mp-1042559,Sr2YGaFe2O7,-7.5546171546,-2.5976619668,0.0622940432,0.0622940432,GGA+U,Cc,A2BC7D2E_mC52_9_2a_a_7a_2a_a:Fe-Ga-O-Sr-Y,26.0,"Invalid WP multiplicities - A2BC7D2E_mC52_9_4a_a_10a_4a_a:Fe-Ga-O-Sr-Y, expected Sr4YGa(Fe2O5)2 to be Sr2YGaFe2O7" +mp-1013550,Ca3SbP,-4.133625522,-1.0218048447,0.0,-0.018369087,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ca-P-Sb,5.0,A3BC_cP5_221_c_b_a:Ca-P-Sb +mp-1096764,Ca3SbP,-3.429233762,-0.3174130847,0.70439176,0.6860226730000001,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ca-P-Sb,5.0,A3BC_cP5_221_c_a_b:Ca-P-Sb +mp-1044815,CaSb2P2O9,-7.2002680755,-2.5138105202,0.0718392565,0.0718392565,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Ca-O-P-Sb,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Ca-O-P-Sb, expected CaSb2P2O11 to be CaSb2P2O9" +mp-1041203,CaSb3P3O13,-7.1672416855,-2.4202684672,0.0965635707,0.0965635707,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Ca-O-P-Sb,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Ca-O-P-Sb, expected CaSb5P3O34 to be CaSb3P3O13" +mp-1043569,CaSb2(PO5)2,-7.1351073277,-2.4313010286,0.1226433587,0.1226433587,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Ca-O-P-Sb,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Ca-O-P-Sb, expected CaSb2(PO14)2 to be CaSb2(PO5)2" +mp-1043551,CaNiSbP2O9,-7.2763965998,-2.4720007988,0.0749439382,0.0749439382,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Sb,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Sb +mp-752957,Li4CrSb(WO6)2,-7.5831451085,-2.2484318499,0.0380007029,0.0380007029,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Sb-W,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-Sb-W +mp-1294264,Zn2CoWO6,-7.040705626,-1.8140988747,0.0565168495,0.0565168495,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Co-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Co-O-W-Zn +mp-1282826,Zn2CoWO6,-7.0123233895,-1.7857166382,0.084899086,0.084899086,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Co-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_d_e:Co-O-W-Zn +mp-1272744,Zn2CoWO6,-7.0443412285,-1.8177344772,0.052881247,0.052881247,GGA+U,R3,AB6CD2_hR30_146_a_2b_a_2a:Co-O-W-Zn,20.0,"Invalid WP multiplicities - AB6CD2_hR30_146_a_3b_a_2a:Co-O-W-Zn, expected Zn2CoWO9 to be Zn2CoWO6" +mp-2217665,MgZn2CoWO6,-6.6722584327,-1.7753177452000002,0.2769920755,0.2769920755,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Co-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Co-Mg-O-W-Zn +mp-2217361,MgZn2CoWO6,-6.7067304055,-1.809789718,0.2425201027,0.2425201027,GGA+U,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Co-Mg-O-W-Zn,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Co-Mg-O-W-Zn +mp-1226272,CrNiPO5,-7.9904842644,-2.2929929878,0.0,-0.0062247856,GGA+U,C2/c,ABC5D_mC32_15_c_a_e2f_e:Cr-Ni-O-P,16.0,ABC5D_mC32_15_a_c_e2f_e:Cr-Ni-O-P +mp-1215758,ZnCr4NiO8,-8.1559222079,-2.0683807893,0.0913740211,0.0913740211,GGA+U,F-43m,A4BC8D_cF56_216_e_a_2e_c:Cr-Ni-O-Zn,14.0,A4BC8D_cF56_216_e_a_2e_c:Cr-Ni-O-Zn +mp-774406,Cr3Ni(PO4)6,-7.6566515265,-2.1878390794,0.0913735212,0.0913735212,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Ni-O-P,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_2b:Cr-Ni-O-P, expected Cr3Ni(PO10)6 to be Cr3Ni(PO4)6" +mp-775135,Cr3Ni(PO4)4,-8.0565529337,-2.4090734131,0.0494140666,0.0494140666,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Ni-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Cr-Ni-O-P +mp-771940,CrNi5(PO4)6,-7.3177410239,-2.0467944967,0.087604805,0.087604805,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Cr-Ni-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Cr-Ni-O-P, expected CrNi5(PO10)6 to be CrNi5(PO4)6" +mp-1043482,ZnCrNiP2O9,-7.3457282637,-2.2000331799,0.0802851984,0.0802851984,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Cr-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Cr-Ni-O-P-Zn +mp-754644,CrNi3(PO4)4,-7.4106426058,-2.085905651,0.0947919618,0.0947919618,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Ni-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Cr-Ni-O-P +mp-1101790,CrNiP,-7.4641431058,-0.5153142203000001,0.0,-0.0614271081,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-Ni-P,12.0,ABC_oP12_62_c_c_c:Cr-Ni-P +mp-1079966,CrNiP,-7.4420894067,-0.4932605211,0.0220536992,-0.0393734089,GGA,P-62m,ABC_hP9_189_f_g_ad:Cr-Ni-P,9.0,ABC_hP9_189_f_g_ad:Cr-Ni-P +mp-775333,CrNi(PO4)2,-7.7441791442,-2.2580709064,0.0615216398,0.0615216398,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Cr-Ni-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Cr-Ni-O-P, expected CrNi(PO5)3 to be CrNi(PO4)2" +mp-772120,CrNi(PO4)2,-7.7132721481,-2.2271639103,0.092428636,0.092428636,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Cr-Ni-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Cr-Ni-O-P, expected CrNi(PO10)2 to be CrNi(PO4)2" +mp-1226323,Cr3NiP4,-7.565987875,-0.5169267354,0.0,-0.0002201734,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Cr-Ni-P,8.0,A3BC4_mP8_6_a2b_a_2a2b:Cr-Ni-P +mp-1044071,CrNiP2O9,-7.4766686156,-2.0320541875,0.1091081628,0.1091081628,GGA+U,Pnma,ABC9D2_oP52_62_c_a_5c2d_2c:Cr-Ni-O-P,52.0,ABC9D2_oP52_62_c_a_5c2d_2c:Cr-Ni-O-P +mp-1101389,Ti3MnCu2(PO4)6,-8.0076850339,-2.6674836786,0.0419151228,0.0419151228,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_2b_3a:Cu-Mn-O-P-Ti, expected Ti3MnCu2(PO11)6 to be Ti3MnCu2(PO4)6" +mp-1101271,TiMn3Cu2(PO4)6,-7.7723915853,-2.3618278258,0.0574513845,0.0574513845,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Mn-O-P-Ti, expected TiMn3Cu2(PO11)6 to be TiMn3Cu2(PO4)6" +mp-777902,Ti3Mn2Cu(PO4)6,-8.2450366397,-2.7642017116,0.028643848,0.028643848,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cu-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Cu-Mn-O-P-Ti, expected Ti3Mn2Cu(PO11)6 to be Ti3Mn2Cu(PO4)6" +mp-555230,Rb2YGa(SiO3)4,-7.7652928206,-3.1394342238,0.0,-0.0467765385,GGA,C2/c,AB12C2D4E_mC160_15_f_12f_2f_4f_f:Ga-O-Rb-Si-Y,80.0,"Invalid WP multiplicities - AB12C2D4E_mC160_15_f_45f_4f_11f_f:Ga-O-Rb-Si-Y, expected Rb4YGaSi11O45 to be Rb2YGa(SiO3)4" +mp-1209100,RuN7ClO6,-5.7269035567,0.8836655062000001,1.5004645176,1.5004645176,GGA,I4mm,AB7C6D_tI30_107_a_abc_bd_a:Cl-N-O-Ru,15.0,AB7C6D_tI30_107_a_abc_bd_a:Cl-N-O-Ru +mp-1219813,Ru3N12(Cl4O3)2,-4.8905227266,1.0518763172,1.6741755263,1.6741755263,GGA,Immm,A8B12C6D3_oI58_71_fhn_3l_en_ag:Cl-N-O-Ru,29.0,A8B12C6D3_oI58_71_fhn_3l_en_ag:Cl-N-O-Ru +mp-1192956,PdRuN5(Cl2O)2,-4.9122675296,0.7357542425,1.3937148883,1.3937148883,GGA,Cmc2_1,A4B5C2DE_oC52_36_2ab_a2b_2a_a_a:Cl-N-O-Pd-Ru,26.0,A4B5C2DE_oC52_36_2ab_a2b_2a_a_a:Cl-N-O-Pd-Ru +mp-1179661,RuN3Cl5O,-4.227731101,0.6195948316000001,1.1427995652,1.1427995652,GGA,Pnma,A5B3CD_oP40_62_3cd_cd_c_c:Cl-N-O-Ru,40.0,A5B3CD_oP40_62_3cd_cd_c_c:Cl-N-O-Ru +mp-1188718,RuN2Cl4O,-4.7434380756,0.042590392,0.6965963091,0.6965963091,GGA,C2/m,A4B2CD_mC32_12_2j_abi_i_i:Cl-N-O-Ru,,A4B2CD_mC32_12_2j_abi_i_i:Cl-N-O-Ru +mp-726898,RuN4Cl3O2,-5.578430254,0.2275067103,0.8356955850000001,0.8356955850000001,GGA,Pna2_1,A3B4C2D_oP40_33_3a_4a_2a_a:Cl-N-O-Ru,40.0,A3B4C2D_oP40_33_3a_4a_2a_a:Cl-N-O-Ru +mp-1204261,RuN3(Cl2O)2,-4.6509592965,0.5061818413,1.132455831,1.132455831,GGA,P2_1/c,A4B3C2D_mP40_14_4e_3e_2e_e:Cl-N-O-Ru,40.0,A4B3C2D_mP40_14_4e_3e_2e_e:Cl-N-O-Ru +mp-1205276,RuN6Cl3O2,-6.1529604837,0.0747361406,0.5815602029,0.5815602029,GGA,Pna2_1,A3B6C2D_oP48_33_3a_6a_2a_a:Cl-N-O-Ru,48.0,A3B6C2D_oP48_33_3a_6a_2a_a:Cl-N-O-Ru +mp-1197250,RuN3Cl3O,-5.1616564816,0.4353667692,1.0667662925,1.0667662925,GGA,Pbcn,A3B3CD_oP32_60_cd_cd_c_c:Cl-N-O-Ru,32.0,A3B3CD_oP32_60_cd_cd_c_c:Cl-N-O-Ru +mp-1517333,NaSrYSeO6,-6.692188525,-2.4267351645,0.1342600299,0.1342600299,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Se-Sr-Y,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Se-Sr-Y +mp-1232341,K2Li2Cu(BrO)2,-3.9900350556,-1.41922568,0.4329271262,0.4329271262,GGA,I4/mmm,A2BC2D2E2_tI18_139_e_a_e_d_c:Br-Cu-K-Li-O,9.0,A2BC2D2E2_tI18_139_e_a_e_d_c:Br-Cu-K-Li-O +mp-1214547,BaMnVF7,-6.7455134305,-3.390988523,0.0375274305,0.0375274305,GGA+U,C2/c,AB7CD_mC80_15_f_7f_f_ae:Ba-F-Mn-V,40.0,AB7CD_mC80_15_f_7f_f_ce:Ba-F-Mn-V +mp-1214724,Ba2CaMnV2F14,-6.6372706892,-3.6405665524,0.0,-0.017964915,GGA+U,C2/c,A2BC14DE2_mC80_15_f_e_7f_a_f:Ba-Ca-F-Mn-V,40.0,A2BC14DE2_mC80_15_f_e_7f_c_f:Ba-Ca-F-Mn-V +mp-1519279,KPrInSbO6,-6.553473291,-2.308261097,0.1644148727,0.1644148727,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:In-K-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:In-K-O-Pr-Sb +mp-1221346,Na2Nd4NCl9O,-5.6709491521,-2.6334400995,0.0,-0.0106004574,GGA,P2_1,A9BC2D4E_mP34_4_9a_a_2a_4a_a:Cl-N-Na-Nd-O,34.0,A9BC2D4E_mP34_4_9a_a_2a_4a_a:Cl-N-Na-Nd-O +mp-1205256,Na2NdN5O16,-6.623810438,-1.280364937,0.0855225047,0.0855225047,GGA,P2/c,A5B2CD16_mP192_13_10g_4g_efg_32g:N-Na-Nd-O,192.0,A5B2CD16_mP192_13_10g_4g_efg_32g:N-Na-Nd-O +mp-679958,Na3Nd2(NO3)9,-6.8491399376,-1.4322394431,0.0,-0.0105743541,GGA,P4_132,A9B3C2D27_cP164_213_de_d_c_d4e:N-Na-Nd-O,164.0,"Invalid WP multiplicities - A9B3C2D27_cP164_213_11d12e_d_c_9d74e:N-Na-Nd-O, expected Na3Nd2(N35O157)3 to be Na3Nd2(NO3)9" +mp-567605,CeTl5Fe2(NO2)12,-6.6042948824,-0.8441854397,0.2742189406,0.2742189406,GGA+U,Pn-3,AB2C12D24E5_cP88_201_a_b_h_2h_cd:Ce-Fe-N-O-Tl,88.0,"Invalid WP multiplicities - AB2C12D24E5_cP88_201_a_b_h_26h_3c3d:Ce-Fe-N-O-Tl, expected CeTl15Fe2(NO26)12 to be CeTl5Fe2(NO2)12" +mp-1521887,KEuNbBiO6,-7.9870373985,-2.4881046801,0.1523077099,0.1523077099,GGA,Pnnn,ABCDE6_oP40_48_e_ab_cd_f_3m:Bi-Eu-K-Nb-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_ab_2c2d_f_6m:Bi-Eu-K-Nb-O, expected K2EuNbBiO12 to be KEuNbBiO6" +mp-1521902,KEuNbBiO6,-7.967578031,-2.4686453125,0.1717670774,0.1717670774,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Eu-K-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Eu-K-Nb-O +mp-1516957,BaEuInWO6,-8.260502643,-2.5039103462,0.1158355108,0.1158355108,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-In-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-In-O-W +mp-1198390,Rb2MnH12(SeO7)2,-5.5871074955,-1.4554539184,0.0,-0.0032165649,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-Se,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-Se +mp-1237824,Rb2MnH12(SeO7)2,-5.2672564044,-1.1356028273,0.3198510911,0.3166345262,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-Se,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-Se +mp-1520675,BaSrSmWO6,-8.187064604,-3.0905329014,0.0270363872,0.0270363872,GGA+U,P-1,AB6CDE_aP20_2_i_6i_ah_i_be:Ba-O-Sm-Sr-W,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_i_be:Ba-O-Sm-Sr-W, expected BaSrSmWO12 to be BaSrSmWO6" +mp-1520486,BaSrSmWO6,-8.179395168,-3.0828634654,0.0347058232,0.0347058232,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_e_cd_f:Ba-O-Sm-Sr-W,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_e_2c2d_f:Ba-O-Sm-Sr-W, expected BaSr2SmWO12 to be BaSrSmWO6" +mp-1520608,BaSrSmWO6,-8.119897208,-3.0233655054,0.0942037832,0.0942037832,GGA+U,P42_12,AB6CDE_tP20_90_a_2cg_c_b_c:Ba-O-Sm-Sr-W,20.0,AB6CDE_tP20_90_a_2cg_c_b_c:Ba-O-Sm-Sr-W +mp-1520586,BaSrSmWO6,-8.088204158,-2.9916724554,0.1258968332,0.1258968332,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sm-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sm-Sr-W +mp-1520845,LiLaV4O12,-8.1974102894,-2.5006981346,0.1393983707,0.1393983707,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:La-Li-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:La-Li-O-V, expected LiLaV4O18 to be LiLaV4O12" +mp-1206458,LiLa2VO6,-8.200951675,-3.1464541336,0.1029119967,0.1029119967,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:La-Li-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:La-Li-O-V +mp-769499,LiLa8V8O32,-8.6754633186,-3.1170497058,0.0828968416,0.0828968416,GGA+U,P1,A8BC32D8_aP49_1_8a_a_32a_8a:La-Li-O-V,49.0,A8BC32D8_aP49_1_8a_a_32a_8a:La-Li-O-V +mp-505752,CsMnCr(CN)6,-8.400826968,-0.0607317921,0.2115862867,0.2115862867,GGA,F-43m,A6BCDE6_cF60_216_f_a_c_b_f:C-Cr-Cs-Mn-N,15.0,A6BCDE6_cF60_216_f_a_c_b_f:C-Cr-Cs-Mn-N +mp-1147742,CsCrC6,-7.262300815,0.9777545346,1.0315744464,1.0315744464,GGA,Pm-3m,A6BC_cP8_221_e_a_b:C-Cr-Cs,8.0,A6BC_cP8_221_e_a_b:C-Cr-Cs +mp-2716365,K3NaHf2(SiO4)3,-7.956531042,-3.1848968125,0.0,-0.0187706741,GGA,R-3c,A2B3CD12E3_hR126_167_c_e_b_2f_e:Hf-K-Na-O-Si,126.0,A2B3CD12E3_hR126_167_c_e_b_2f_e:Hf-K-Na-O-Si +mp-1519177,NaHfSnWO6,-8.253586845,-2.4608319774,0.155427439,0.155427439,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Sn-W +mp-1190385,Tb2CoTe2(SO7)2,-7.1126755986,-2.3417135284,0.0,-0.0127710103,GGA+U,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Tb-Te,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Tb-Te +mp-1217684,Tb2TeS2,-6.283608596,-2.1466210306,0.0,-0.005847821,GGA,Immm,A2B2C_oI10_71_e_f_a:S-Tb-Te,5.0,A2B2C_oI10_71_e_f_a:S-Tb-Te +mp-1079253,Tb6CoTe2,-5.3361381656,-0.7582352565,0.0,-0.0195752356,GGA,P-62m,AB6C2_hP9_189_a_fg_d:Co-Tb-Te,9.0,AB6C2_hP9_189_a_fg_d:Co-Tb-Te +mp-1205693,Ba2DyUO6,-8.599756791,-3.6581288913,0.0,-0.0613188112,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-U,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Dy-O-U +mp-706328,Ba3DyUFeO9,-8.029766297,-3.0534102116,0.1724384076,0.1724384076,GGA+U,P3m1,A3BCD9E_hP30_156_a2b3c_ab_ac_6d_ab:Ba-Dy-Fe-O-U,30.0,"Invalid WP multiplicities - A3BCD9E_hP30_156_a2b3c_ab_ac_15d_ab:Ba-Dy-Fe-O-U, expected Ba6Dy2U2Fe2O45 to be Ba3DyUFeO9" +mp-637502,Mn2SnC10(BrO5)2,-7.529067237,-0.8413391915,0.532254408,0.532254408,GGA+U,P2_1/c,A2B10C2D10E_mP100_14_2e_10e_2e_10e_e:Br-C-Mn-O-Sn,100.0,"Invalid WP multiplicities - A2B10C2D10E_mP100_14_5e_39e_8e_35e_e:Br-C-Mn-O-Sn, expected Mn8SnC39(BrO7)5 to be Mn2SnC10(BrO5)2" +mp-704550,Mn2SnC9BrO9,-7.6512872286,-0.7665227467,0.6154532766,0.6154532766,GGA+U,P2_1/c,AB9C2D9E_mP88_14_e_9e_2e_9e_e:Br-C-Mn-O-Sn,88.0,"Invalid WP multiplicities - AB9C2D9E_mP88_14_e_32e_4e_33e_e:Br-C-Mn-O-Sn, expected Mn4SnC32BrO33 to be Mn2SnC9BrO9" +mp-705194,Mn2SnC10BrO10,-7.6947792842,-0.7931054172,0.5843524332000001,0.5843524332000001,GGA+U,P2_1/c,AB10C2D10E_mP192_14_2e_20e_4e_20e_2e:Br-C-Mn-O-Sn,192.0,"Invalid WP multiplicities - AB10C2D10E_mP192_14_7e_77e_13e_78e_6e:Br-C-Mn-O-Sn, expected Mn13Sn6C77Br7O78 to be Mn2SnC10BrO10" +mp-672441,SrZnNi(PO4)2,-3.5856505454,0.9627716428,3.5919037963,3.5919037963,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ni-O-P-Sr-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ni-O-P-Sr-Zn, expected SrZnNi(PO7)2 to be SrZnNi(PO4)2" +mp-1657996,Sr2ZnNi2(PO4)4,-7.1752157488,-2.4952464175,0.0806448338,0.0806448338,GGA+U,P1,A2B16C4D2E_aP25_1_2a_16a_4a_2a_a:Ni-O-P-Sr-Zn,25.0,A2B16C4D2E_aP25_1_2a_16a_4a_2a_a:Ni-O-P-Sr-Zn +mp-1378827,Sr2ZnNi2(PO4)4,-3.238854286,1.4411150453,4.0170062966,4.0170062966,GGA+U,P1,A2B16C4D2E_aP25_1_2a_16a_4a_2a_a:Ni-O-P-Sr-Zn,25.0,A2B16C4D2E_aP25_1_2a_16a_4a_2a_a:Ni-O-P-Sr-Zn +mp-1521577,KCaTiBiO6,-6.877514314,-2.4243030899,0.1478479985,0.1478479985,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Ti,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-Ti +mp-1192544,Na5Nd4Ge4O16F,-6.9689673567,-2.7944398245,0.0,-0.0017594043,GGA,I-4,AB4C5D4E16_tI60_82_a_g_bg_g_4g:F-Ge-Na-Nd-O,30.0,AB4C5D4E16_tI60_82_a_g_bg_g_4g:F-Ge-Na-Nd-O +mp-1233184,K2CaNd4Nb2O12,-7.9985206133,-3.1003367029,0.1845059182,0.1845059182,GGA,P1,AB2C2D4E12_aP21_1_a_2a_2a_4a_12a:Ca-K-Nb-Nd-O,21.0,AB2C2D4E12_aP21_1_a_2a_2a_4a_12a:Ca-K-Nb-Nd-O +mp-1233211,K2CaNd4Nb2O12,-7.9082080424,-3.010024132,0.2748184891,0.2748184891,GGA,Cm,AB2C2D4E12_mC42_8_a_2a_2a_4a_2a5b:Ca-K-Nb-Nd-O,21.0,"Invalid WP multiplicities - AB2C2D4E12_mC42_8_a_2a_2a_4a_2a10b:Ca-K-Nb-Nd-O, expected K2CaNd4Nb2O22 to be K2CaNd4Nb2O12" +mp-1233836,K2CaNd4Nb2O12,-7.9775946971,-3.0794107867,0.2054318344,0.2054318344,GGA,Cm,AB2C2D4E12_mC42_8_a_2a_2a_4a_2a5b:Ca-K-Nb-Nd-O,21.0,"Invalid WP multiplicities - AB2C2D4E12_mC42_8_a_2a_2a_4a_2a10b:Ca-K-Nb-Nd-O, expected K2CaNd4Nb2O22 to be K2CaNd4Nb2O12" +mp-1233969,K2CaNd4Nb2O12,-8.0406551438,-3.1424712334,0.1423713877,0.1423713877,GGA,C2/m,AB2C2D4E12_mC42_12_a_i_i_2i_hi2j:Ca-K-Nb-Nd-O,21.0,"Invalid WP multiplicities - AB2C2D4E12_mC42_12_a_i_i_3i_2hi6j:Ca-K-Nb-Nd-O, expected K2CaNd6Nb2O30 to be K2CaNd4Nb2O12" +mp-1521458,NaLaZrVO6,-8.424069539,-3.0670424024,0.1685178768,0.1685178768,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-V-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-V-Zr +mp-1518028,PrGdTiVO6,-6.2458846143,0.3057712207,3.7672979121,3.7672979121,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_cd_e_f:Gd-O-Pr-Ti-V,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_2c2d_e_f:Gd-O-Pr-Ti-V, expected Pr2GdTiVO12 to be PrGdTiVO6" +mp-1046217,SrCaTi(PO4)2,-7.8555979965,-3.0870826078,0.1483477209,0.1483477209,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sr-Ti,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sr-Ti, expected SrCaTi(PO7)2 to be SrCaTi(PO4)2" +mp-698941,Nd5Fe5As5O4F,-7.2285986088,-1.6693651562,0.2615897491,0.2615897491,GGA+U,P-1,A5BC5D5E4_aP40_2_5i_i_5i_5i_4i:As-F-Fe-Nd-O,40.0,"Invalid WP multiplicities - A5BC5D5E4_aP40_2_9i_i_8i_9i_7i:As-F-Fe-Nd-O, expected Nd9Fe8As9O7F to be Nd5Fe5As5O4F" +mp-1220250,Nd4Fe4As4O3F,-7.1889612581,-1.6676679274,0.2724652736,0.2724652736,GGA+U,I-42m,A4BC4D4E3_tI32_121_i_a_de_i_bc:As-F-Fe-Nd-O,16.0,A4BC4D4E3_tI32_121_i_a_de_i_bc:As-F-Fe-Nd-O +mp-1522589,KEuZrFeO6,-8.331616653,-2.5250911676,0.1326771203,0.1326771203,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Fe-K-O-Zr +mp-1211552,Li3Mn2(SeO3)4,-6.3764572348,-1.7386139191,0.0,-0.0035375203,GGA+U,P-1,A3B2C12D4_aP42_2_3i_abi_12i_4i:Li-Mn-O-Se,42.0,A3B2C12D4_aP42_2_3i_abi_12i_4i:Li-Mn-O-Se +mp-1177936,Li2Mn(SeO3)2,-6.1806820602,-1.6668805831,0.0986516439,0.0986516439,GGA+U,R-3m,A2BC6D2_hR33_166_c_a_h_c:Li-Mn-O-Se,44.0,A2BC6D2_hR33_166_c_a_h_c:Li-Mn-O-Se +mp-1222696,Li5Mn5(SeO3)8,-6.5521392136,-1.7416032211,0.0,-0.002526317,GGA+U,P1,A5B5C24D8_aP42_1_5a_5a_24a_8a:Li-Mn-O-Se,42.0,A5B5C24D8_aP42_1_5a_5a_24a_8a:Li-Mn-O-Se +mp-774707,Li5Mn5(SeO3)8,-6.5520437494,-1.7415077569,9.54642e-05,-0.0024308529,GGA+U,P-1,A5B5C24D8_aP84_2_5i_5i_24i_8i:Li-Mn-O-Se,84.0,"Invalid WP multiplicities - A5B5C24D8_aP84_2_8i_9i_48i_12i:Li-Mn-O-Se, expected Li8Mn9(SeO4)12 to be Li5Mn5(SeO3)8" +mp-1196748,LiMn3H6(SeO3)8,-6.1111476595,-1.434025138,0.0,-0.0046130446,GGA+U,R-3,A6BC3D24E8_hR126_148_f_a_e_4f_cf:H-Li-Mn-O-Se,42.0,A6BC3D24E8_hR126_148_f_a_e_4f_cf:H-Li-Mn-O-Se +mp-773051,Li2Mn3(SeO3)4,-6.7227685583,-1.739539889,0.0,-0.0125328809,GGA+U,P-1,A2B3C12D4_aP42_2_2i_ab2i_12i_4i:Li-Mn-O-Se,42.0,"Invalid WP multiplicities - A2B3C12D4_aP42_2_3i_ab3i_23i_7i:Li-Mn-O-Se, expected Li3Mn4Se7O23 to be Li2Mn3(SeO3)4" +mp-1233044,Sr2CaV2(Si2O7)2,-8.09840582,-3.1198269937,0.1092671393,0.1092671393,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Ca-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Ca-O-Si-Sr-V +mp-1233650,Sr2CaV2(Si2O7)2,-8.0493609448,-3.0707821185,0.1583120145,0.1583120145,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Ca-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Ca-O-Si-Sr-V +mp-1233083,Sr2CaV2(Si2O7)2,-7.9799104013,-3.001331575,0.227762558,0.227762558,GGA+U,C2,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Ca-O-Si-Sr-V,23.0,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Ca-O-Si-Sr-V +mp-1233748,Sr2CaV2(Si2O7)2,-7.9370994809,-2.9585206546,0.2705734784,0.2705734784,GGA+U,Pm,AB14C4D2E2_mP23_6_a_2a2b5c_2c_ab_ab:Ca-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_mP23_6_a_2a2b9c_3c_ab_ab:Ca-O-Si-Sr-V, expected Sr2CaV2(Si3O11)2 to be Sr2CaV2(Si2O7)2" +mp-1233646,Sr2CaV2(Si2O7)2,-7.87806407,-2.8994852437,0.3296088893,0.3296088893,GGA+U,Amm2,AB14C4D2E2_oC46_38_a_2a2bc2f_2c_ab_ab:Ca-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_oC46_38_a_2a2bc6f_3c_ab_ab:Ca-O-Si-Sr-V, expected Sr2CaV2(SiO5)6 to be Sr2CaV2(Si2O7)2" +mp-1105584,VZn2BiO6,-6.5056569095,-1.9932554408,0.019449744,0.019449744,GGA+U,P-1,AB6CD2_aP20_2_i_6i_i_2i:Bi-O-V-Zn,20.0,AB6CD2_aP20_2_i_6i_i_2i:Bi-O-V-Zn +mp-27262,Ca9Zn4Bi9,-3.2965485693,-0.6759224089,0.0,-0.0149790236,GGA,Pbam,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Ca-Zn,44.0,A9B9C4_oP44_55_a2g2h_cg3h_2g:Bi-Ca-Zn +mp-731583,Ca8V7ZnBiO28,-7.7789287159,-2.8180474229,0.0089491097,0.0089491097,GGA+U,Cc,AB8C28D7E_mC180_9_a_8a_28a_7a_a:Bi-Ca-O-V-Zn,90.0,"Invalid WP multiplicities - AB8C28D7E_mC180_9_a_16a_56a_14a_a:Bi-Ca-O-V-Zn, expected Ca16V14ZnBiO56 to be Ca8V7ZnBiO28" +mp-1044197,VZnBiO5,-6.9100792594,-2.0453814636,0.0226162025,0.0226162025,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-V-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-V-Zn, expected VZnBiO15 to be VZnBiO5" +mp-1364429,VZnBiO5,-6.8845259322,-2.0198281364,0.0481695297,0.0481695297,GGA+U,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-V-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-V-Zn, expected VZnBiO31 to be VZnBiO5" +mp-1173626,Nd2CO5,-8.5033512763,-3.066050787,0.0,-0.0382276141,GGA,Cmcm,AB2C5_oC32_63_c_f_c2f:C-Nd-O,16.0,"Invalid WP multiplicities - AB2C5_oC32_63_c_f_2c4f:C-Nd-O, expected Nd2CO10 to be Nd2CO5" +mp-1211576,Nd4CoSi4(C2O11)2,-8.1456888769,-2.6135747836,0.2736490269,0.2736490269,GGA+U,P2_1/c,A4BC4D22E4_mP70_14_ace_b_2e_11e_2e:C-Co-Nd-O-Si,70.0,A4BC4D22E4_mP70_14_ace_b_2e_11e_2e:C-Co-Nd-O-Si +mp-1180367,NdC3O10,-7.24147202,-1.3899698041000002,0.4445784155,0.4445784155,GGA,P2_1/c,A3BC10_mP56_14_3e_e_10e:C-Nd-O,56.0,A3BC10_mP56_14_3e_e_10e:C-Nd-O +mp-1070917,Nd2Co2SiC,-6.8460804817,-0.4449281521,0.0,-0.0144748923,GGA,Immm,AB2C2D_oI12_71_a_g_f_b:C-Co-Nd-Si,6.0,AB2C2D_oI12_71_a_g_f_b:C-Co-Nd-Si +mp-1180114,NdCO4,-7.9485925058,-2.3179978775,0.1922707033,0.1686219634,GGA,Pnma,ABC4_oP24_62_c_c_2cd:C-Nd-O,24.0,ABC4_oP24_62_c_c_2cd:C-Nd-O +mp-1191793,NdCO4,-8.0744076408,-2.4438130125,0.0664555683,0.0428068284,GGA,Pnma,ABC4_oP24_62_c_c_2cd:C-Nd-O,24.0,ABC4_oP24_62_c_c_2cd:C-Nd-O +mp-1198371,NdCO4,-8.1408632092,-2.5102685808,0.0,-0.0236487399,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Nd-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Nd-O +mp-1205188,NdCO4,-8.1327996269,-2.5022049986,0.0080635822,-0.0155851577,GGA,P-6,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Nd-O,108.0,ABC4_hP108_174_3j3k_3l_ghi3j3k8l:C-Nd-O +mp-1204161,NdC3O11,-6.8638254067,-1.0726440911,0.6396009139000001,0.6396009139000001,GGA,P2_1/c,A3BC11_mP60_14_3e_e_11e:C-Nd-O,60.0,A3BC11_mP60_14_3e_e_11e:C-Nd-O +mp-1202637,Nd2C3O17,-6.7847719791,-1.2704083685,0.3402395754,0.3402395754,GGA,Pccn,A3B2C17_oP88_56_ce_cd_c8e:C-Nd-O,88.0,A3B2C17_oP88_56_ce_cd_c8e:C-Nd-O +mp-1196447,Nd(CO3)3,-7.2495235165,-1.3284202618,0.6472470516000001,0.6472470516000001,GGA,P2_1/c,A3BC9_mP52_14_3e_e_9e:C-Nd-O,52.0,A3BC9_mP52_14_3e_e_9e:C-Nd-O +mp-707441,SnH12Pt(N2Cl3)2,-4.7868464463,-0.8189040556,0.0066098264,0.0066098264,GGA,Cmce,A6B12C4DE_oC96_64_fg_3g_g_a_b:Cl-H-N-Pt-Sn,48.0,A6B12C4DE_oC96_64_fg_3g_g_a_b:Cl-H-N-Pt-Sn +mp-1209678,SnPt(N2Cl3)2,-4.2638883633,0.2792703729,1.0692809714,1.0692809714,GGA,Cmce,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Pt-Sn,24.0,A6B4CD_oC48_64_fg_g_a_b:Cl-N-Pt-Sn +mp-696275,SnH8(NCl3)2,-4.4449526929,-0.9793297503,0.0066307418,-0.0211725818,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Sn,17.0,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Sn +mp-23763,SnH8(NCl3)2,-4.4515834347,-0.9859604921,0.0,-0.0278033235,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Sn,17.0,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Sn +mp-13614,Rb2Be3Cd2F12,-5.1403854937,-3.1423416058,0.0,-0.0174381386,GGA,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Cd-F-Rb,76.0,"Invalid WP multiplicities - A3B2C12D2_cP76_198_b_2a_8b_2a:Be-Cd-F-Rb, expected Rb2Be3Cd2F24 to be Rb2Be3Cd2F12" +mp-1209776,Rb2Be2Cd(O3F4)2,-4.4138365368,-1.5014813978,0.6795034105000001,0.6795034105000001,GGA,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cd-F-O-Rb,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Cd-F-O-Rb +mp-1235287,Ba2LiMn2(P2O7)2,-7.7497437461,-2.7507109063,0.1361449282,0.1361449282,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P +mp-1235649,Ba2LiMn2(P2O7)2,-7.73330629,-2.7342734502,0.1525823843,0.1525823843,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P +mp-1235906,Ba2LiMn2(P2O7)2,-7.7414282426,-2.7423954028,0.1444604317,0.1444604317,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P +mp-1236005,Ba2LiMn2(P2O7)2,-7.7315732374,-2.7325403976,0.1543154369,0.1543154369,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P +mp-1236186,Ba2LiMn2(P2O7)2,-7.7477518626,-2.7487190228,0.1381368117,0.1381368117,GGA+U,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Ba-Li-Mn-O-P +mp-1236191,Ba2LiMn2(P2O7)2,-7.720514677,-2.7214818372,0.1653739973,0.1653739973,GGA+U,P-1,A2BC2D14E4_aP23_2_i_a_i_7i_2i:Ba-Li-Mn-O-P,23.0,A2BC2D14E4_aP23_2_i_a_i_7i_2i:Ba-Li-Mn-O-P +mp-758816,Li2Mn(PO4)2,-7.3353907727,-2.4600080243,0.0416001723,0.0416001723,GGA+U,P-1,A2BC8D2_aP26_2_bei_i_8i_2i:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_aP26_2_be2i_i_15i_3i:Li-Mn-O-P, expected Li3Mn(PO5)3 to be Li2Mn(PO4)2" +mp-753609,Li2Mn(PO4)2,-7.3288571342,-2.4534743859,0.0481338107,0.0481338107,GGA+U,P-1,A2BC8D2_aP13_2_i_a_4i_i:Li-Mn-O-P,52.0,A2BC8D2_aP13_2_i_a_4i_i:Li-Mn-O-P +mp-860789,Li2Mn(PO4)2,-7.3364011338,-2.4610183855,0.0405898111,0.0405898111,GGA+U,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_aP26_2_3i_i_15i_3i:Li-Mn-O-P, expected Li3Mn(PO5)3 to be Li2Mn(PO4)2" +mp-1177939,Li2Mn(PO4)2,-7.3000804054,-2.424697657,0.0769105396,0.0769105396,GGA+U,P-1,A2BC8D2_aP13_2_i_a_4i_i:Li-Mn-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_aP13_2_i_a_7i_i:Li-Mn-O-P, expected Li2Mn(PO7)2 to be Li2Mn(PO4)2" +mp-1101557,Li2Mn(PO4)2,-7.3380284058,-2.4626456574,0.0389625392,0.0389625392,GGA+U,P2_1,A2BC8D2_mP52_4_4a_2a_16a_4a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_4_7a_4a_30a_7a:Li-Mn-O-P, expected Li7Mn4P7O30 to be Li2Mn(PO4)2" +mp-766444,Li2Mn(PO4)2,-7.33716408,-2.4617813316,0.039826865,0.039826865,GGA+U,Cc,A2BC8D2_mC52_9_2a_a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_9_2a_a_14a_2a:Li-Mn-O-P, expected Li2Mn(PO7)2 to be Li2Mn(PO4)2" +mp-753313,Li2Mn(PO4)2,-7.3518747754,-2.476492027,0.0251161696,0.0251161696,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_14_e_a_13e_e:Li-Mn-O-P, expected Li2Mn(PO13)2 to be Li2Mn(PO4)2" +mp-753291,Li2Mn(PO4)2,-7.3723290435,-2.4969462951,0.0046619015,0.0046619015,GGA+U,C2/c,A2BC8D2_mC52_15_f_e_4f_f:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mC52_15_f_e_15f_f:Li-Mn-O-P, expected Li2Mn(PO15)2 to be Li2Mn(PO4)2" +mp-757749,Li2Mn(PO4)2,-7.3671550626,-2.4917723142,0.0098358824,0.0098358824,GGA+U,Pbca,A2BC8D2_oP104_61_2c_c_8c_2c:Li-Mn-O-P,104.0,"Invalid WP multiplicities - A2BC8D2_oP104_61_5c_c_29c_5c:Li-Mn-O-P, expected Li5MnP5O29 to be Li2Mn(PO4)2" +mp-26039,Li3Mn2(PO4)3,-7.547256076,-2.564707514,0.0028933423,0.0028933423,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_3e_45e_10e:Li-Mn-O-P, expected Li9Mn3(P2O9)5 to be Li3Mn2(PO4)3" +mp-780607,Li3Mn2(PO4)3,-7.493706109,-2.511157547,0.0564433093,0.0564433093,GGA+U,C2,A3B2C12D3_mC80_5_ab2c_2c_12c_ab2c:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_5_ab3c_2c_24c_ab2c:Li-Mn-O-P, expected Li4Mn2(PO8)3 to be Li3Mn2(PO4)3" +mp-757748,Li3Mn2(PO4)3,-7.4988112193,-2.5162626573,0.051338199,0.051338199,GGA+U,C2,A3B2C12D3_mC160_5_6c_2a2b2c_24c_6c:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mC160_5_11c_2a2b4c_47c_11c:Li-Mn-O-P, expected Li11Mn6P11O47 to be Li3Mn2(PO4)3" +mp-850909,Li3Mn2(PO4)3,-7.4891996175,-2.5066510555,0.0609498008,0.0609498008,GGA+U,C2,A3B2C12D3_mC160_5_6c_2a2b2c_24c_6c:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mC160_5_10c_2a2b4c_48c_12c:Li-Mn-O-P, expected Li5Mn3(PO4)6 to be Li3Mn2(PO4)3" +mp-1244614,Li3Mn2(PO4)3,-7.5234705809,-2.5409220189,0.0266788374,0.0266788374,GGA+U,Pc,A3B2C12D3_mP80_7_6a_4a_24a_6a:Li-Mn-O-P,80.0,A3B2C12D3_mP80_7_12a_8a_48a_12a:Li-Mn-O-P +mp-32024,Li3Mn2(PO4)3,-7.5172371635,-2.5346886015,0.0329122548,0.0329122548,GGA+U,Cc,A3B2C12D3_mC80_9_3a_2a_12a_3a:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_9_5a_4a_23a_6a:Li-Mn-O-P, expected Li5Mn4P6O23 to be Li3Mn2(PO4)3" +mp-26453,Li3Mn2(PO4)3,-7.521607215,-2.539058653,0.0285422033,0.0285422033,GGA+U,C2/m,A3B2C12D3_mC80_12_3i_aci_6i3j_3i:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_12_4i_adi_10i11j_5i:Li-Mn-O-P, expected Li4Mn2P5O32 to be Li3Mn2(PO4)3" +mp-758956,Li3Mn2(PO4)3,-7.5016586006,-2.5191100387,0.0484908176,0.0484908176,GGA+U,P2/c,A3B2C12D3_mP80_13_abefg_2g_12g_ef2g:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_13_2a2b2e2f4g_4g_47g_2e2f6g:Li-Mn-O-P, expected Li8Mn4P8O47 to be Li3Mn2(PO4)3" +mp-773057,Li3Mn2(PO4)3,-7.5398761791,-2.5573276172,0.0102732391,0.0102732391,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_9e_3e_45e_9e:Li-Mn-O-P, expected Li3Mn(PO5)3 to be Li3Mn2(PO4)3" +mp-31969,Li3Mn2(PO4)3,-7.5400919884,-2.5575434264,0.0100574299,0.0100574299,GGA+U,P2_1/c,A3B2C12D3_mP80_14_3e_2e_12e_3e:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mP80_14_10e_5e_45e_10e:Li-Mn-O-P, expected Li2MnP2O9 to be Li3Mn2(PO4)3" +mp-860928,Li3Mn2(PO4)3,-7.4881753866,-2.5056268247,0.0619740316,0.0619740316,GGA+U,C2/c,A3B2C12D3_mC160_15_ce2f_2f_12f_3f:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_mC160_15_2c2e8f_5f_47f_9f:Li-Mn-O-P, expected Li10Mn5P9O47 to be Li3Mn2(PO4)3" +mp-26367,Li3Mn2(PO4)3,-7.5277569228,-2.5452083608,0.0223924955,0.0223924955,GGA+U,C2/c,A3B2C12D3_mC80_15_a2e_f_6f_ef:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_2a4e_f_22f_e2f:Li-Mn-O-P, expected Li6Mn2P5O44 to be Li3Mn2(PO4)3" +mp-26845,Li3Mn2(PO4)3,-7.5188686855,-2.5363201235,0.0312807328,0.0312807328,GGA+U,C2/c,A3B2C12D3_mC80_15_cf_f_6f_ef:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_mC80_15_2a3f_f_21f_2e2f:Li-Mn-O-P, expected Li4Mn(PO7)3 to be Li3Mn2(PO4)3" +mp-758937,Li3Mn2(PO4)3,-7.5318022162,-2.5492536543,0.018347202,0.018347202,GGA+U,P2_12_12,A3B2C12D3_oP80_18_3c_2c_12c_ab2c:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A3B2C12D3_oP80_18_4c_2c_22c_2a2b2c:Li-Mn-O-P, expected Li2MnP2O11 to be Li3Mn2(PO4)3" +mp-26601,Li3Mn2(PO4)3,-7.512602406,-2.530053844,0.0375470123,0.0375470123,GGA+U,R-3,A3B2C12D3_hR120_148_f_2c_4f_f:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3B2C12D3_hR120_148_f_2c_19f_f:Li-Mn-O-P, expected Li3Mn2(PO19)3 to be Li3Mn2(PO4)3" +mp-863434,Li3Mn2(PO4)3,-7.4691388408,-2.4865902788,0.0810105775,0.0810105775,GGA+U,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Li-Mn-O-P,80.0,A3B2C12D3_cI160_230_c_a_h_d:Li-Mn-O-P +mp-759018,LiMn2(PO4)3,-7.6683501019,-2.3442875738,0.0385621705,0.0385621705,GGA+U,P1,AB2C12D3_aP72_1_4a_8a_48a_12a:Li-Mn-O-P,72.0,AB2C12D3_aP72_1_4a_8a_48a_12a:Li-Mn-O-P +mp-26061,LiMn2(PO4)3,-7.697890555,-2.3738280269,0.0090217174,0.0090217174,GGA+U,P-1,AB2C12D3_aP36_2_i_2i_12i_3i:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_aP36_2_i_3i_24i_5i:Li-Mn-O-P, expected LiMn3P5O24 to be LiMn2(PO4)3" +mp-26118,LiMn2(PO4)3,-7.6911293847,-2.3670668566,0.0157828877,0.0157828877,GGA+U,Pc,AB2C12D3_mP72_7_2a_4a_24a_6a:Li-Mn-O-P,72.0,AB2C12D3_mP72_7_4a_8a_48a_12a:Li-Mn-O-P +mp-697792,LiMn2(PO4)3,-7.6846959644,-2.3606334363,0.022216308,0.022216308,GGA+U,Cc,AB2C12D3_mC72_9_a_2a_12a_3a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_9_a_4a_22a_5a:Li-Mn-O-P, expected LiMn4P5O22 to be LiMn2(PO4)3" +mp-32023,LiMn2(PO4)3,-7.6455487169,-2.3214861888,0.0613635555,0.0613635555,GGA+U,C2/m,AB2C12D3_mC72_12_i_aci_6i3j_3i:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_12_i_adi_10i12j_3i:Li-Mn-O-P, expected LiMn2P3O34 to be LiMn2(PO4)3" +mp-776243,LiMn2(PO4)3,-7.6820209439,-2.3579584158,0.0248913285,0.0248913285,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_5e_45e_9e:Li-Mn-O-P, expected LiMn5(PO5)9 to be LiMn2(PO4)3" +mp-26040,LiMn2(PO4)3,-7.6899203372,-2.3658578091,0.0169919352,0.0169919352,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_3e_47e_10e:Li-Mn-O-P, expected LiMn3P10O47 to be LiMn2(PO4)3" +mp-26368,LiMn2(PO4)3,-7.6241675708,-2.3001050427,0.0827447016,0.0827447016,GGA+U,C2/c,AB2C12D3_mC72_15_a_f_6f_ef:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_15_a_f_21f_2e2f:Li-Mn-O-P, expected LiMn2(PO7)6 to be LiMn2(PO4)3" +mp-26846,LiMn2(PO4)3,-7.6959777233,-2.3719151952,0.0109345491,0.0109345491,GGA+U,C2/c,AB2C12D3_mC72_15_c_f_6f_ef:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_mC72_15_a_f_23f_2e2f:Li-Mn-O-P, expected LiMn2(P3O23)2 to be LiMn2(PO4)3" +mp-1101538,LiMn(PO3)5,-7.5673043544,-2.4610415653,0.0349993974,0.0349993974,GGA+U,P2_1/c,ABC15D5_mP88_14_e_ac_15e_5e:Li-Mn-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_e_2a2c_60e_17e:Li-Mn-O-P, expected LiMn2P17O60 to be LiMn(PO3)5" +mp-753867,LiMn(PO4)2,-7.3959304317,-2.2733426932,0.079309112,0.079309112,GGA+U,Cc,ABC8D2_mC48_9_a_a_8a_2a:Li-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mC48_9_a_a_16a_2a:Li-Mn-O-P, expected LiMn(PO8)2 to be LiMn(PO4)2" +mp-753895,LiMn(PO4)2,-7.2430082775,-2.120420539,0.2322312661,0.2322312661,GGA+U,P2_1/c,ABC8D2_mP24_14_a_d_4e_e:Li-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_14_a_d_15e_e:Li-Mn-O-P, expected LiMn(PO15)2 to be LiMn(PO4)2" +mp-867825,LiMn(PO4)2,-7.3985237575,-2.275936019,0.0767157861,0.0767157861,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Li-Mn-O-P,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_29e_5e:Li-Mn-O-P, expected LiMnP5O29 to be LiMn(PO4)2" +mp-754179,LiMn(PO4)2,-7.3928719104,-2.2702841719,0.0823676332,0.0823676332,GGA+U,C2/c,ABC8D2_mC48_15_e_a_4f_f:Li-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_c_13f_f:Li-Mn-O-P, expected LiMn(PO13)2 to be LiMn(PO4)2" +mp-26005,LiMn6P7O24,-8.218201682,-2.5999211231,0.0,-0.000288554,GGA+U,P2_1/m,AB6C24D7_mP76_11_e_3f_2e11f_e3f:Li-Mn-O-P,76.0,"Invalid WP multiplicities - AB6C24D7_mP76_11_e_5f_4e25f_2e5f:Li-Mn-O-P, expected LiMn10(P2O9)6 to be LiMn6P7O24" +mp-775903,Li2MnP2O7,-7.5240823177,-2.6546417329,0.0177067669,0.0157763989,GGA+U,P1,A2BC7D2_aP24_1_4a_2a_14a_4a:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_aP24_1_4a_4a_14a_4a:Li-Mn-O-P, expected Li2Mn2P2O7 to be Li2MnP2O7" +mp-31953,Li2MnP2O7,-7.5042690767,-2.6348284919,0.0375200079,0.03558964,GGA+U,P1,A2BC7D2_aP48_1_8a_4a_28a_8a:Li-Mn-O-P,48.0,A2BC7D2_aP48_1_8a_4a_28a_8a:Li-Mn-O-P +mp-695780,Li2MnP2O7,-7.5214401027,-2.6519995179,0.0203489819,0.0184186139,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P +mp-540421,Li2MnP2O7,-7.5017258333,-2.6322852485,0.0400632512,0.0381328833,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_2i_i_12i_4i:Li-Mn-O-P, expected Li2Mn(PO3)4 to be Li2MnP2O7" +mp-1101535,Li2MnP2O7,-7.5350419146,-2.6656013298,0.00674717,0.0048168021,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P +mp-1177902,Li2MnP2O7,-7.5086168558,-2.639176271,0.0331722287,0.0312418608,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P,48.0,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P +mp-1340630,Li2MnP2O7,-4.8278946908,0.041545894,2.7138943937,2.7119640258,GGA+U,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:Li-Mn-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_3i_i_13i_3i:Li-Mn-O-P, expected Li3MnP3O13 to be Li2MnP2O7" +mp-776396,Li2MnP2O7,-7.4994880183,-2.6300474335,0.0423010662,0.0403706983,GGA+U,P2_1,A2BC7D2_mP48_4_4a_2a_14a_4a:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_4_6a_3a_24a_4a:Li-Mn-O-P, expected Li6Mn3(PO6)4 to be Li2MnP2O7" +mp-770967,Li2MnP2O7,-7.5352224202,-2.6657818354,0.0065666644,0.0046362964,GGA+U,P2_1,A2BC7D2_mP24_4_2a_a_7a_2a:Li-Mn-O-P,48.0,A2BC7D2_mP24_4_2a_a_7a_2a:Li-Mn-O-P +mp-775905,Li2MnP2O7,-7.5124131867,-2.6429726019,0.0293758979,0.02744553,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_3e_e_13e_3e:Li-Mn-O-P, expected Li3MnP3O13 to be Li2MnP2O7" +mp-776393,Li2MnP2O7,-7.4984914367,-2.6290508519,0.0432976479,0.04136728,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_5e_e_25e_5e:Li-Mn-O-P, expected Li5Mn(PO5)5 to be Li2MnP2O7" +mp-554804,Li2MnP2O7,-7.3249744438,-2.455533859,0.2168146408,0.2148842729,GGA+U,P2_1/c,A2BC7D2_mP96_14_4e_2e_14e_4e:Li-Mn-O-P,96.0,"Invalid WP multiplicities - A2BC7D2_mP96_14_12e_6e_54e_13e:Li-Mn-O-P, expected Li12Mn6P13O54 to be Li2MnP2O7" +mp-540223,Li2MnP2O7,-7.5201486496,-2.6507080648,0.021640435,0.0197100671,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_5e_e_27e_7e:Li-Mn-O-P, expected Li5MnP7O27 to be Li2MnP2O7" +mp-26413,Li2MnP2O7,-7.5167344685,-2.6472938838,0.025054616,0.0231242481,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mP48_14_5e_e_25e_5e:Li-Mn-O-P, expected Li5Mn(PO5)5 to be Li2MnP2O7" +mp-1203394,Li2MnP2O7,-7.541789084599999,-2.6723484998,0.0,-0.0019303679,GGA+U,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P,48.0,A2BC7D2_mP48_14_2e_e_7e_2e:Li-Mn-O-P +mp-757717,Li2MnP2O7,-7.479626943299999,-2.6101863585,0.0621621412,0.0602317733,GGA+U,C2/c,A2BC7D2_mC96_15_2ef_f_7f_2f:Li-Mn-O-P,48.0,"Invalid WP multiplicities - A2BC7D2_mC96_15_3e2f_f_13f_3f:Li-Mn-O-P, expected Li7Mn2(P3O13)2 to be Li2MnP2O7" +mp-757719,Li2MnP2O7,-7.4766146171,-2.6071740323,0.0651744675,0.0632440996,GGA+U,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:Li-Mn-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_15_f_c_e11f_f:Li-Mn-O-P, expected Li2MnP2O23 to be Li2MnP2O7" +mp-26257,Li2MnP2O7,-7.5178219358,-2.6483813510000003,0.0239671487,0.0220367808,GGA+U,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:Li-Mn-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_15_f_c_2e8f_f:Li-Mn-O-P, expected Li2Mn(PO9)2 to be Li2MnP2O7" +mp-755808,Li2MnP2O7,-7.4467039167,-2.5772633319,0.0950851679,0.0931548,GGA+U,C2/c,A2BC7D2_mC48_15_f_c_e3f_f:Li-Mn-O-P,24.0,"Invalid WP multiplicities - A2BC7D2_mC48_15_f_a_2e11f_f:Li-Mn-O-P, expected Li2Mn(PO12)2 to be Li2MnP2O7" +mp-1579309,Li2MnP2O7,-7.5045769117,-2.6351363269,0.0372121729,0.035281805,GGA+U,C2/c,A2BC7D2_mC48_15_f_c_e3f_f:Li-Mn-O-P,24.0,A2BC7D2_mC48_15_f_a_e3f_f:Li-Mn-O-P +mp-1651415,Li2MnP2O7,-7.4595091556,-2.5900685708,0.082279929,0.080349561,GGA+U,Imm2,A2BC7D2_oI48_44_e_d_ab2c2e_2c:Li-Mn-O-P,48.0,A2BC7D2_oI48_74_f_a_eij_i:Li-Mn-O-P +mp-1641247,Li2MnP2O7,-7.4607679488,-2.591327364,0.0810211358,0.0790907679,GGA+U,Pnma,A2BC7D2_oP48_62_d_c_c3d_d:Li-Mn-O-P,48.0,A2BC7D2_oI48_74_f_a_eij_i:Li-Mn-O-P +mp-757211,Li2MnP2O7,-7.4611871617,-2.5917465769,0.0806019229,0.078671555,GGA+U,Imma,A2BC7D2_oI48_74_f_a_eij_i:Li-Mn-O-P,24.0,A2BC7D2_oI48_74_f_a_eij_i:Li-Mn-O-P +mp-850195,Li2MnP2O7,-7.4632751458,-2.593834561,0.0785139387,0.0765835708,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:Li-Mn-O-P,48.0,A2BC7D2_tP24_113_e_a_cef_e:Li-Mn-O-P +mp-1177905,Li2MnP2O7,-7.4621158998,-2.592675315,0.0796731848,0.0777428169,GGA+U,P3,A2BC7D2_hP96_143_ab2c4d_2c2d_ab18d_2a2b4d:Li-Mn-O-P,96.0,"Invalid WP multiplicities - A2BC7D2_hP96_143_ab2c12d_2c6d_ab52d_2a2b12d:Li-Mn-O-P, expected Li20Mn10P20O79 to be Li2MnP2O7" +mp-776397,LiMn2PO5,-8.0052823458,-2.4075379554,0.0814588906,0.0814588906,GGA+U,Pna2_1,AB2C5D_oP36_33_a_2a_5a_a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C5D_oP36_33_a_4a_17a_a:Li-Mn-O-P, expected LiMn4PO17 to be LiMn2PO5" +mp-757759,LiMnPO5,-7.4903433675,-2.3381328398,0.0331759704,0.0331759704,GGA+U,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_3i_3i_19i_3i:Li-Mn-O-P, expected Li3Mn3P3O19 to be LiMnPO5" +mp-1180529,LiMnPO5,-7.4929878966,-2.3407773689,0.0305314414,0.0305314414,GGA+U,P-1,ABC5D_aP16_2_i_ab_5i_i:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_2a2b_5i_i:Li-Mn-O-P, expected LiMn2PO5 to be LiMnPO5" +mp-757358,LiMnPO5,-7.5018208634,-2.3496103357,0.0216984745,0.0216984745,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_19e_e:Li-Mn-O-P, expected LiMnPO19 to be LiMnPO5" +mp-757764,LiMnPO5,-7.4795233509,-2.3273128232,0.043995987,0.043995987,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_19e_e:Li-Mn-O-P, expected LiMnPO19 to be LiMnPO5" +mp-757828,LiMnPO5,-7.4479636284,-2.2957531007,0.0755557095,0.0755557095,GGA+U,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Li-Mn-O-P,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_5a_5a_37a_5a:Li-Mn-O-P, expected Li5Mn5P5O37 to be LiMnPO5" +mp-757028,LiMnPO5,-7.4532291819,-2.3010186542,0.0702901561,0.0702901561,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_c_a_9c4d_c:Li-Mn-O-P, expected LiMnPO17 to be LiMnPO5" +mp-774433,LiMnPO5,-7.4924687922,-2.3402582645,0.0310505458,0.0310505458,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_9c4d_c:Li-Mn-O-P, expected LiMnPO17 to be LiMnPO5" +mp-849806,Li7Mn4(P2O7)4,-7.5652604907,-2.6328301673,0.0147521232,0.0147521232,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-849679,Li7Mn4(P2O7)4,-7.5636741687,-2.6312438452,0.0163384453,0.0163384453,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1176910,Li7Mn4(P2O7)4,-7.565841456,-2.6334111325,0.014171158,0.014171158,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1176957,Li7Mn4(P2O7)4,-7.5663520373,-2.6339217139,0.0136605766,0.0136605766,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1177028,Li7Mn4(P2O7)4,-7.5671770768,-2.6347467533,0.0128355372,0.0128355372,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1177074,Li7Mn4(P2O7)4,-7.56694979,-2.6345194665,0.013062824,0.013062824,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1177127,Li7Mn4(P2O7)4,-7.564841724,-2.6324114006,0.0151708899,0.0151708899,GGA+U,P1,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P,94.0,A7B4C28D8_aP94_1_14a_8a_56a_16a:Li-Mn-O-P +mp-1176940,Li7Mn4(P2O7)4,-7.5675742334,-2.6351439099,0.0124383806,0.0124383806,GGA+U,P-1,A7B4C28D8_aP94_2_7i_4i_28i_8i:Li-Mn-O-P,94.0,"Invalid WP multiplicities - A7B4C28D8_aP94_2_13i_7i_55i_15i:Li-Mn-O-P, expected Li13Mn7(P3O11)5 to be Li7Mn4(P2O7)4" +mp-1176907,Li7Mn4(P2O7)4,-7.56526701,-2.6328366865,0.014745604,0.014745604,GGA+U,P2_1,A7B4C28D8_mP94_4_7a_4a_28a_8a:Li-Mn-O-P,94.0,"Invalid WP multiplicities - A7B4C28D8_mP94_4_12a_6a_54a_14a:Li-Mn-O-P, expected Li6Mn3P7O27 to be Li7Mn4(P2O7)4" +mp-1176911,Li7Mn4(P2O7)4,-7.5632153181,-2.6307849946,0.0167972959,0.0167972959,GGA+U,P2_1,A7B4C28D8_mP94_4_7a_4a_28a_8a:Li-Mn-O-P,94.0,"Invalid WP multiplicities - A7B4C28D8_mP94_4_12a_6a_54a_14a:Li-Mn-O-P, expected Li6Mn3P7O27 to be Li7Mn4(P2O7)4" +mp-1177043,Li7Mn4(P2O7)4,-7.5602011611,-2.6277708376,0.0198114529,0.0198114529,GGA+U,Pc,A7B4C28D8_mP94_7_7a_4a_28a_8a:Li-Mn-O-P,94.0,A7B4C28D8_mP94_7_14a_8a_56a_16a:Li-Mn-O-P +mp-780845,LiMn(PO3)3,-7.7154487283,-2.5846598655,0.050406504,0.0503135466,GGA+U,P1,ABC9D3_aP84_1_6a_6a_54a_18a:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC9D3_mC168_9_6a_4a_54a_18a:Li-Mn-O-P, expected Li3Mn2(PO3)9 to be LiMn(PO3)3" +mp-755916,LiMn(PO3)3,-7.7203734111,-2.5895845482,0.0454818213,0.0453888639,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Li-Mn-O-P, expected LiMnP5O17 to be LiMn(PO3)3" +mp-540438,LiMn(PO3)3,-7.730519733,-2.5997308702,0.0353354993,0.0352425419,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Li-Mn-O-P,56.0,ABC9D3_aP28_2_i_i_9i_3i:Li-Mn-O-P +mp-26019,LiMn(PO3)3,-7.7658552323,-2.6350663695,0.0,-9.29574e-05,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_11i:Li-Mn-O-P, expected Li3Mn3P11O35 to be LiMn(PO3)3" +mp-758612,LiMn(PO3)3,-7.7251431879,-2.5943543250000003,0.0407120445,0.0406190871,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_11i:Li-Mn-O-P, expected Li3Mn3P11O35 to be LiMn(PO3)3" +mp-1663238,LiMn(PO3)3,-7.7454405111,-2.6146516482,0.0204147213,0.0203217639,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Li-Mn-O-P,28.0,ABC9D3_aP28_2_i_i_9i_3i:Li-Mn-O-P +mp-1176762,LiMn(PO3)3,-7.7156382274,-2.5848493645,0.0502170049,0.0501240476,GGA+U,Cc,ABC9D3_mC168_9_3a_3a_27a_9a:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC9D3_mC168_9_6a_4a_54a_18a:Li-Mn-O-P, expected Li3Mn2(PO3)9 to be LiMn(PO3)3" +mp-775915,LiMn(PO3)3,-7.7130950562,-2.5823061934,0.0527601761,0.0526672187,GGA+U,P2_1/c,ABC9D3_mP56_14_e_ad_9e_3e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_mP56_14_e_2ab_33e_10e:Li-Mn-O-P, expected Li2Mn3(P10O33)2 to be LiMn(PO3)3" +mp-758671,LiMn(PO3)3,-7.7586135677,-2.6278247048,0.0072416646,0.0071487073,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Mn-O-P, expected LiMn(P3O11)3 to be LiMn(PO3)3" +mp-759181,LiMn(PO3)3,-7.6931065413,-2.5623176784,0.0727486911,0.0726557337,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Mn-O-P, expected LiMn(P3O11)3 to be LiMn(PO3)3" +mp-780424,LiMn(PO3)3,-7.7014266821,-2.5706378193,0.0644285502,0.0643355928,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Li-Mn-O-P, expected LiMn(P3O11)3 to be LiMn(PO3)3" +mp-19492,LiMn(PO3)3,-7.7653522255,-2.6345633627,0.0005030068,0.0004100494,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Li-Mn-O-P,56.0,ABC9D3_oP56_19_a_a_9a_3a:Li-Mn-O-P +mp-759103,LiMn(PO3)3,-7.7016272012,-2.5708383384,0.0642280311,0.0641350737,GGA+U,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_a_d_2d7e_2ce:Li-Mn-O-P, expected LiMn(PO4)4 to be LiMn(PO3)3" +mp-759152,LiMn(PO3)3,-7.6885225288,-2.5577336659,0.0773327036,0.0772397462,GGA+U,Pbcm,ABC9D3_oP56_57_d_a_d4e_ce:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_d_a_2d7e_2ce:Li-Mn-O-P, expected LiMn(PO4)4 to be LiMn(PO3)3" +mp-780878,LiMn(PO3)3,-7.7123767418,-2.5815878789,0.0534784905,0.0533855332,GGA+U,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_62_c_c_10c11d_2c3d:Li-Mn-O-P, expected LiMn(PO4)8 to be LiMn(PO3)3" +mp-753149,LiMn(PO3)3,-7.6753647102,-2.5445758473,0.0904905221,0.0903975648,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Li-Mn-O-P,56.0,ABC9D3_hR42_146_a_a_3b_b:Li-Mn-O-P +mp-752899,LiMn(PO3)3,-7.7300184589,-2.5992295961,0.0358367734,0.035743816,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:Li-Mn-O-P,56.0,ABC9D3_hR42_146_a_a_3b_b:Li-Mn-O-P +mp-26937,LiMn(PO3)3,-7.7206767521,-2.5898878893,0.0451784802,0.0450855228,GGA+U,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC9D3_hP28_188_a_c_5k6l_k:Li-Mn-O-P, expected LiMn(PO17)3 to be LiMn(PO3)3" +mp-768493,LiMn3(PO4)3,-8.0207169575,-2.4946569155,0.0190382845,0.0190382845,GGA+U,P1,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P,76.0,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P +mp-1176664,LiMn3(PO4)3,-8.0211462753,-2.4950862333,0.0186089667,0.0186089667,GGA+U,P1,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P,76.0,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P +mp-768571,LiMn3(PO4)3,-8.0204459192,-2.4943858772,0.0193093228,0.0193093228,GGA+U,P1,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P,76.0,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P +mp-768541,LiMn3(PO4)3,-8.0206429321,-2.4945828901,0.0191123099,0.0191123099,GGA+U,P1,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P,76.0,AB3C12D3_aP76_1_4a_12a_48a_12a:Li-Mn-O-P +mp-768447,LiMn3(PO4)3,-8.0081463568,-2.4820863148,0.0316088851,0.0316088851,GGA+U,P1,AB3C12D3_aP38_1_2a_6a_24a_6a:Li-Mn-O-P,38.0,AB3C12D3_aP38_1_2a_6a_24a_6a:Li-Mn-O-P +mp-768446,LiMn3(PO4)3,-8.0274599505,-2.5013999085,0.0122952914,0.0122952914,GGA+U,C2/c,AB3C12D3_mC76_15_a_ef_6f_ef:Li-Mn-O-P,38.0,"Invalid WP multiplicities - AB3C12D3_mC76_15_a_2e3f_21f_2e3f:Li-Mn-O-P, expected LiMn8(P4O21)2 to be LiMn3(PO4)3" +mp-1176727,LiMn3(PO4)3,-8.0136691093,-2.4876090673,0.0260861326,0.0260861326,GGA+U,P2_1,AB3C12D3_mP76_4_2a_6a_24a_6a:Li-Mn-O-P,76.0,"Invalid WP multiplicities - AB3C12D3_mP76_4_2a_12a_48a_12a:Li-Mn-O-P, expected LiMn6(PO4)6 to be LiMn3(PO4)3" +mp-1211089,LiMnP2,-5.2205773175,0.2538084755,0.8260210235000001,0.8260210235000001,GGA,P4/mmm,ABC2_tP4_123_a_b_g:Li-Mn-P,4.0,ABC2_tP4_123_a_b_g:Li-Mn-P +mp-761573,Li4Mn(PO4)2,-7.1226941537,-2.6428393895,0.0554493425,0.0554493425,GGA+U,P-1,A4BC8D2_aP15_2_2i_a_4i_i:Li-Mn-O-P,30.0,A4BC8D2_aP15_2_2i_a_4i_i:Li-Mn-O-P +mp-26081,Li4Mn(PO4)2,-7.1675219722,-2.687667208,0.010621524,0.010621524,GGA+U,P2_1/c,A4BC8D2_mP60_14_4e_e_8e_2e:Li-Mn-O-P,60.0,"Invalid WP multiplicities - A4BC8D2_mP60_14_13e_e_29e_5e:Li-Mn-O-P, expected Li13MnP5O29 to be Li4Mn(PO4)2" +mp-540477,Li2Mn(PO3)4,-7.5517757658,-2.6047581033,0.0484289251,0.0484289251,GGA+U,P-1,A2BC12D4_aP19_2_i_a_6i_2i:Li-Mn-O-P,19.0,"Invalid WP multiplicities - A2BC12D4_aP19_2_i_a_10i_4i:Li-Mn-O-P, expected Li2Mn(P2O5)4 to be Li2Mn(PO3)4" +mp-758815,Li2Mn(PO3)4,-7.532834715,-2.5858170525,0.0673699759,0.0673699759,GGA+U,P2_1/c,A2BC12D4_mP76_14_2e_e_12e_4e:Li-Mn-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_mP76_14_3e_e_45e_11e:Li-Mn-O-P, expected Li3MnP11O45 to be Li2Mn(PO3)4" +mp-780694,Li2Mn(PO3)4,-7.581328763,-2.6343111005,0.0188759279,0.0188759279,GGA+U,P2_1/c,A2BC12D4_mP76_14_2e_e_12e_4e:Li-Mn-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_mP76_14_4e_e_48e_15e:Li-Mn-O-P, expected Li4Mn(P5O16)3 to be Li2Mn(PO3)4" +mp-31979,Li2Mn(PO3)4,-7.5579310234,-2.6109133609,0.0422736675,0.0422736675,GGA+U,P2_1/c,A2BC12D4_mP38_14_e_a_6e_2e:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mP38_14_e_a_20e_7e:Li-Mn-O-P, expected Li2Mn(P7O20)2 to be Li2Mn(PO3)4" +mp-31964,Li2Mn(PO3)4,-7.5714021937,-2.6243845312,0.0288024972,0.0288024972,GGA+U,C2/c,A2BC12D4_mC76_15_f_e_2e5f_2f:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_mC76_15_f_e_4e18f_2f:Li-Mn-O-P, expected Li2Mn(PO10)4 to be Li2Mn(PO3)4" +mp-26095,Li2Mn(PO3)4,-7.5939910317,-2.6469733692,0.0062136592,0.0062136592,GGA+U,Pnma,A2BC12D4_oP76_62_d_c_4c4d_2cd:Li-Mn-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_oP76_62_d_c_15c14d_5c4d:Li-Mn-O-P, expected Li2MnP13O43 to be Li2Mn(PO3)4" +mp-25887,Li2Mn(PO3)4,-7.5596632455,-2.612645583,0.0405414454,0.0405414454,GGA+U,P4/nbm,A2BC12D4_tP38_125_e_a_mn_l:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2BC12D4_tP38_125_e_a_4m5n_l:Li-Mn-O-P, expected Li2Mn(PO14)4 to be Li2Mn(PO3)4" +mp-780898,Li3Mn2(PO3)7,-7.58735071,-2.562369508,0.0831299682,0.0831299682,GGA+U,P-1,A3B2C21D7_aP66_2_3i_2i_21i_7i:Li-Mn-O-P,66.0,"Invalid WP multiplicities - A3B2C21D7_aP66_2_5i_3i_41i_13i:Li-Mn-O-P, expected Li5Mn3P13O41 to be Li3Mn2(PO3)7" +mp-758207,Li2Mn3P9O28,-7.711445366199999,-2.5083287451,0.0489782794,0.0489782794,GGA+U,P-1,A2B3C28D9_aP42_2_i_bi_14i_d4i:Li-Mn-O-P,42.0,"Invalid WP multiplicities - A2B3C28D9_aP42_2_i_bi_28i_d8i:Li-Mn-O-P, expected Li2Mn3P17O56 to be Li2Mn3P9O28" +mp-772945,Li4Mn2(PO4)3,-7.434367159,-2.5981817254,0.0272375468,0.0272375468,GGA+U,P-1,A4B2C12D3_aP42_2_4i_2i_12i_3i:Li-Mn-O-P,42.0,"Invalid WP multiplicities - A4B2C12D3_aP42_2_7i_3i_23i_5i:Li-Mn-O-P, expected Li7Mn3P5O23 to be Li4Mn2(PO4)3" +mp-764125,Li4Mn2(PO4)3,-7.4204439117,-2.5842584781,0.0411607942,0.0411607942,GGA+U,P-1,A4B2C12D3_aP42_2_4i_2i_12i_3i:Li-Mn-O-P,42.0,"Invalid WP multiplicities - A4B2C12D3_aP42_2_7i_2i_23i_5i:Li-Mn-O-P, expected Li7Mn2P5O23 to be Li4Mn2(PO4)3" +mp-779625,Li4Mn2(PO4)3,-7.4311809014,-2.5949954678,0.0304238044,0.0304238044,GGA+U,P2_1/c,A4B2C12D3_mP84_14_4e_2e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - A4B2C12D3_mP84_14_13e_3e_47e_11e:Li-Mn-O-P, expected Li13Mn3P11O47 to be Li4Mn2(PO4)3" +mp-760127,Li4Mn2(PO4)3,-7.4261008515,-2.5899154179,0.0355038543,0.0355038543,GGA+U,P2_1/c,A4B2C12D3_mP84_14_4e_2e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - A4B2C12D3_mP84_14_13e_2e_45e_11e:Li-Mn-O-P, expected Li13Mn2P11O45 to be Li4Mn2(PO4)3" +mp-26187,Li3Mn2P5O16,-7.6495977002,-2.6394311195,0.0145419538,0.0145419538,GGA+U,P2/c,A3B2C16D5_mP52_13_eg_g_8g_f2g:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B2C16D5_mP52_13_2e3g_g_29g_2f7g:Li-Mn-O-P, expected Li4MnP8O29 to be Li3Mn2P5O16" +mp-758818,Li2Mn3(PO4)4,-7.71494587,-2.4307810294,0.0445660799,0.0445660799,GGA+U,P1,A2B3C16D4_aP50_1_4a_6a_32a_8a:Li-Mn-O-P,50.0,A2B3C16D4_aP50_1_4a_6a_32a_8a:Li-Mn-O-P +mp-758781,Li3Mn(PO4)2,-7.2083510452,-2.5448582884,0.076037668,0.076037668,GGA+U,P1,A3BC8D2_aP56_1_12a_4a_32a_8a:Li-Mn-O-P,56.0,A3BC8D2_aP56_1_12a_4a_32a_8a:Li-Mn-O-P +mp-760997,Li3Mn(PO4)2,-7.2517021886,-2.5882094318,0.0326865246,0.0326865246,GGA+U,P1,A3BC8D2_aP56_1_12a_4a_32a_8a:Li-Mn-O-P,56.0,A3BC8D2_aP56_1_12a_4a_32a_8a:Li-Mn-O-P +mp-801735,Li3Mn(PO4)2,-5.0783730961,-0.4148803393,2.2060156171,2.2060156171,GGA+U,P-1,A3BC8D2_aP28_2_3i_ab_8i_2i:Li-Mn-O-P,28.0,"Invalid WP multiplicities - A3BC8D2_aP28_2_4i_ab_15i_3i:Li-Mn-O-P, expected Li4Mn(PO5)3 to be Li3Mn(PO4)2" +mp-860887,Li3Mn(PO4)2,-7.2470857524,-2.5835929956,0.0373029608,0.0373029608,GGA+U,P-1,A3BC8D2_aP42_2_a4i_di_12i_3i:Li-Mn-O-P,42.0,"Invalid WP multiplicities - A3BC8D2_aP42_2_a7i_di_23i_5i:Li-Mn-O-P, expected Li15Mn3(P5O23)2 to be Li3Mn(PO4)2" +mp-1290870,Li3Mn(PO4)2,-7.2604962621,-2.5970035053,0.0238924511,0.0238924511,GGA+U,P-1,A3BC8D2_aP14_2_ai_b_4i_i:Li-Mn-O-P,28.0,"Invalid WP multiplicities - A3BC8D2_aP14_2_ai_b_5i_i:Li-Mn-O-P, expected Li3Mn(PO5)2 to be Li3Mn(PO4)2" +mp-1663957,Li3Mn(PO4)2,-7.2600728157,-2.5965800589,0.0243158975,0.0243158975,GGA+U,P-1,A3BC8D2_aP28_2_ac2i_i_8i_2i:Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_aP28_2_ac2i_i_10i_2i:Li-Mn-O-P, expected Li3Mn(PO5)2 to be Li3Mn(PO4)2" +mp-1663233,Li3Mn(PO4)2,-7.2674829232,-2.6039901664,0.01690579,0.01690579,GGA+U,P-1,A3BC8D2_aP28_2_acfhi_i_8i_2i:Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_aP28_2_acfhi_i_10i_2i:Li-Mn-O-P, expected Li3Mn(PO5)2 to be Li3Mn(PO4)2" +mp-881278,Li3Mn(PO4)2,-7.2544370866,-2.5909443298,0.0299516266,0.0299516266,GGA+U,P2_1,A3BC8D2_mP56_4_6a_2a_16a_4a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_4_10a_2a_31a_8a:Li-Mn-O-P, expected Li10Mn2P8O31 to be Li3Mn(PO4)2" +mp-759826,Li3Mn(PO4)2,-7.256237873,-2.5927451162,0.0281508402,0.0281508402,GGA+U,P2_1/m,A3BC8D2_mP28_11_a2e_e_4e2f_2e:Li-Mn-O-P,56.0,A3BC8D2_mP28_11_a2e_e_4e2f_2e:Li-Mn-O-P +mp-754753,Li3Mn(PO4)2,-7.2645773914,-2.6010846346000003,0.0198113218,0.0198113218,GGA+U,P2_1/m,A3BC8D2_mP28_11_ade_e_4e2f_2e:Li-Mn-O-P,56.0,A3BC8D2_mP28_11_abe_e_4e2f_2e:Li-Mn-O-P +mp-757646,Li3Mn(PO4)2,-7.2439687455,-2.5804759887,0.0404199677,0.0404199677,GGA+U,C2/m,A3BC8D2_mC28_12_ai_c_2ij_i:Li-Mn-O-P,56.0,A3BC8D2_mC28_12_ai_c_2ij_i:Li-Mn-O-P +mp-863426,Li3Mn(PO4)2,-7.266633645,-2.6031408882,0.0177550682,0.0177550682,GGA+U,P2_1/c,A3BC8D2_mP28_14_ae_d_4e_e:Li-Mn-O-P,28.0,A3BC8D2_mP28_14_ae_d_4e_e:Li-Mn-O-P +mp-757651,Li3Mn(PO4)2,-7.2281503364,-2.5646575796,0.0562383768,0.0562383768,GGA+U,P2_1/c,A3BC8D2_mP112_14_6e_2e_16e_4e:Li-Mn-O-P,112.0,"Invalid WP multiplicities - A3BC8D2_mP112_14_21e_5e_61e_13e:Li-Mn-O-P, expected Li21Mn5P13O61 to be Li3Mn(PO4)2" +mp-31972,Li3Mn(PO4)2,-7.2561699482,-2.5926771914,0.028218765,0.028218765,GGA+U,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3BC8D2_mP56_14_8e_e_30e_3e:Li-Mn-O-P, expected Li8Mn(PO10)3 to be Li3Mn(PO4)2" +mp-753513,Li3Mn(PO4)2,-7.2659140262,-2.6024212694,0.018474687,0.018474687,GGA+U,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:Li-Mn-O-P,56.0,A3BC8D2_mC56_15_ef_c_4f_f:Li-Mn-O-P +mp-757955,Li3Mn(PO4)2,-7.1928516205,-2.5293588637,0.0915370927,0.0915370927,GGA+U,R3,A3BC8D2_hR126_146_3a2b_3a_8b_2b:Li-Mn-O-P,42.0,"Invalid WP multiplicities - A3BC8D2_hR126_146_3a4b_3a_24b_4b:Li-Mn-O-P, expected Li5Mn(PO6)4 to be Li3Mn(PO4)2" +mp-756003,Li7Mn(PO4)4,-6.9256678607,-2.5212141191,0.0676799304,0.0676799304,GGA+U,Pm,A7BC16D4_mP28_6_a2b2c_a_4a4b4c_2a2b:Li-Mn-O-P,28.0,A7BC16D4_mP28_6_a2b2c_a_4a4b4c_2a2b:Li-Mn-O-P +mp-754890,Li4Mn(PO3)6,-7.3813867193,-2.6118033193,0.0588795178,0.0588795178,GGA+U,P1,A4BC18D6_aP29_1_4a_a_18a_6a:Li-Mn-O-P,29.0,A4BC18D6_aP29_1_4a_a_18a_6a:Li-Mn-O-P +mp-860799,Li4Mn(PO3)6,-7.3775697441,-2.6079863441,0.0626964929,0.0626964929,GGA+U,C2/c,A4BC18D6_mC116_15_2f_e_9f_3f:Li-Mn-O-P,58.0,"Invalid WP multiplicities - A4BC18D6_mC116_15_3f_e_33f_5f:Li-Mn-O-P, expected Li6Mn(P5O33)2 to be Li4Mn(PO3)6" +mp-767614,Li3Mn4(PO4)6,-7.6392950811,-2.4075336249,0.0280204127,0.0280204127,GGA+U,P1,A3B4C24D6_aP37_1_3a_4a_24a_6a:Li-Mn-O-P,37.0,A3B4C24D6_aP37_1_3a_4a_24a_6a:Li-Mn-O-P +mp-766527,Li3Mn4(PO4)6,-7.6511547676,-2.4193933114,0.0161607262,0.0161607262,GGA+U,P1,A3B4C24D6_aP74_1_6a_8a_48a_12a:Li-Mn-O-P,74.0,A3B4C24D6_aP74_1_6a_8a_48a_12a:Li-Mn-O-P +mp-766502,Li3Mn4(PO4)6,-7.6472973303,-2.4155358741,0.0200181635,0.0200181635,GGA+U,P1,A3B4C24D6_aP74_1_6a_8a_48a_12a:Li-Mn-O-P,74.0,A3B4C24D6_aP74_1_6a_8a_48a_12a:Li-Mn-O-P +mp-767568,Li3Mn4(PO4)6,-7.6091935089,-2.3774320527,0.0581219849,0.0581219849,GGA+U,P-1,A3B4C24D6_aP37_2_ai_2i_12i_3i:Li-Mn-O-P,37.0,"Invalid WP multiplicities - A3B4C24D6_aP37_2_a2i_3i_23i_5i:Li-Mn-O-P, expected Li5Mn6(P5O23)2 to be Li3Mn4(PO4)6" +mp-766381,Li3Mn4(PO4)6,-7.5932838924,-2.3615224363,0.0740316014,0.0740316014,GGA+U,C2,A3B4C24D6_mC74_5_ac_2c_12c_ab2c:Li-Mn-O-P,37.0,"Invalid WP multiplicities - A3B4C24D6_mC74_5_ac_4c_22c_ab4c:Li-Mn-O-P, expected Li3Mn8(P5O22)2 to be Li3Mn4(PO4)6" +mp-757472,Li7Mn7(P4O17)2,-7.6035884677,-2.4430455508,0.0788259443,0.0788259443,GGA+U,P2_1/c,A7B7C34D8_mP112_14_a3e_b3e_17e_4e:Li-Mn-O-P,112.0,"Invalid WP multiplicities - A7B7C34D8_mP112_14_2a8e_2d11e_65e_15e:Li-Mn-O-P, expected Li9Mn12(P3O13)5 to be Li7Mn7(P4O17)2" +mp-757746,Li5MnP3O11,-7.1200320472,-2.6520263988,0.0539887644,0.0539887644,GGA+U,P-1,A5BC11D3_aP40_2_5i_bd_11i_3i:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A5BC11D3_aP40_2_9i_bd_21i_5i:Li-Mn-O-P, expected Li9MnP5O21 to be Li5MnP3O11" +mp-849633,LiMn2(P2O7)2,-7.6751700214,-2.382798334,0.0972211774,0.0972211774,GGA+U,P1,AB2C14D4_aP84_1_4a_8a_56a_16a:Li-Mn-O-P,84.0,AB2C14D4_aP84_1_4a_8a_56a_16a:Li-Mn-O-P +mp-1235163,LiMn2(P2O7)2,-7.6999364257,-2.4075647383,0.0724547731,0.0724547731,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Li-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Li-Mn-O-P +mp-1236742,LiMn2(P2O7)2,-7.709692261,-2.4173205736,0.0626989379,0.0626989379,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Li-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Li-Mn-O-P +mp-780394,LiMn3P3O11,-8.0737600719,-2.5155127338,0.0873902971,0.0873902971,GGA+U,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB3C11D3_mP72_14_e_9e_43e_11e:Li-Mn-O-P, expected LiMn9P11O43 to be LiMn3P3O11" +mp-780780,LiMn3P3O11,-8.1040517508,-2.5458044127,0.0570986182,0.0570986182,GGA+U,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB3C11D3_mP72_14_e_11e_41e_7e:Li-Mn-O-P, expected LiMn11P7O41 to be LiMn3P3O11" +mp-758852,Li4Mn3(PO4)4,-7.596831707,-2.5626847904,0.0222514486,0.0222514486,GGA+U,P1,A4B3C16D4_aP54_1_8a_6a_32a_8a:Li-Mn-O-P,54.0,A4B3C16D4_aP54_1_8a_6a_32a_8a:Li-Mn-O-P +mp-1202232,LiMn(P2O7)2,-7.277721186,-2.1788316789,0.1398538535,0.1398538535,GGA+U,C2/c,ABC14D4_mC80_15_e_c_7f_2f:Li-Mn-O-P,40.0,ABC14D4_mC80_15_e_a_7f_2f:Li-Mn-O-P +mp-26188,LiMn2P5O16,-7.8085653217,-2.5399617648,0.0030875845,0.0030875845,GGA+U,Pc,AB2C16D5_mP48_7_a_2a_16a_5a:Li-Mn-O-P,48.0,"Invalid WP multiplicities - AB2C16D5_mP48_7_a_4a_31a_8a:Li-Mn-O-P, expected LiMn4P8O31 to be LiMn2P5O16" +mp-863414,Li2MnP3O10,-7.4476211719,-2.5297051933,0.0797601835,0.0797601835,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Li-Mn-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_7e6f_5e:Li-Mn-O-P, expected Li2MnP5O19 to be Li2MnP3O10" +mp-782647,Li2MnP3O10,-7.4726482484,-2.5547322698,0.054733107,0.054733107,GGA+U,P2_1/c,A2BC10D3_mP64_14_2e_e_10e_3e:Li-Mn-O-P,64.0,"Invalid WP multiplicities - A2BC10D3_mP64_14_3e_e_35e_5e:Li-Mn-O-P, expected Li3Mn(PO7)5 to be Li2MnP3O10" +mp-585338,Li3Mn3(PO4)4,-7.6887199259,-2.5343720842,0.0045314104,0.0045314104,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mn-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mn-O-P +mp-759320,Li3Mn3(PO4)4,-7.6658815915,-2.5115337499,0.0273697448,0.0273697448,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mn-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Li-Mn-O-P +mp-1244727,Li3Mn3(PO4)4,-7.5930872677,-2.438739426,0.1001640687,0.1001640687,GGA+U,P1,A3B3C16D4_aP52_1_6a_6a_32a_8a:Li-Mn-O-P,52.0,A3B3C16D4_aP52_1_6a_6a_32a_8a:Li-Mn-O-P +mp-755157,Li3Mn3(PO4)4,-7.6319183069,-2.4775704653,0.0613330294,0.0613330294,GGA+U,P-1,A3B3C16D4_aP26_2_ai_ei_8i_2i:Li-Mn-O-P,26.0,"Invalid WP multiplicities - A3B3C16D4_aP26_2_ai_e2i_15i_3i:Li-Mn-O-P, expected Li3Mn5(PO5)6 to be Li3Mn3(PO4)4" +mp-759059,Li3Mn3(PO4)4,-7.6279343023,-2.4735864607,0.065317034,0.065317034,GGA+U,P-1,A3B3C16D4_aP52_2_3i_3i_16i_4i:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_aP52_2_5i_5i_31i_7i:Li-Mn-O-P, expected Li5Mn5P7O31 to be Li3Mn3(PO4)4" +mp-704962,Li3Mn3(PO4)4,-7.6456043706,-2.4912565289,0.0476469658,0.0476469658,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_32a_6a:Li-Mn-O-P, expected Li5Mn5(P3O16)2 to be Li3Mn3(PO4)4" +mp-32017,Li3Mn3(PO4)4,-7.6549954365,-2.5006475949,0.0382558998,0.0382558998,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_31a_8a:Li-Mn-O-P, expected Li5Mn5P8O31 to be Li3Mn3(PO4)4" +mp-26143,Li3Mn3(PO4)4,-7.6902392444,-2.5358914028,0.0030120919,0.0030120919,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_29a_6a:Li-Mn-O-P, expected Li5Mn5P6O29 to be Li3Mn3(PO4)4" +mp-705468,Li3Mn3(PO4)4,-7.666180471,-2.5118326293,0.0270708654,0.0270708654,GGA+U,C2,A3B3C16D4_mC104_5_ab2c_3c_16c_4c:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_5_ab3c_6c_32c_7c:Li-Mn-O-P, expected Li4Mn6P7O32 to be Li3Mn3(PO4)4" +mp-758480,Li3Mn3(PO4)4,-7.6666063681,-2.5122585264,0.0266449683,0.0266449683,GGA+U,Pc,A3B3C16D4_mP52_7_3a_3a_16a_4a:Li-Mn-O-P,52.0,A3B3C16D4_mP52_7_6a_6a_32a_8a:Li-Mn-O-P +mp-849481,Li3Mn3(PO4)4,-7.6281941554,-2.4738463137,0.065057181,0.065057181,GGA+U,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_14_2a2e_2d3e_31e_3e:Li-Mn-O-P, expected Li3Mn4P3O31 to be Li3Mn3(PO4)4" +mp-2228352,MgMn6(O5F)2,-7.9060829047,-2.1238609653,0.1116728147,0.1116728147,GGA+U,P-1,A2BC6D10_aP19_2_i_b_ae2i_5i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_aP19_2_i_b_ae3i_10i:F-Mg-Mn-O, expected MgMn8(O10F)2 to be MgMn6(O5F)2" +mp-2228357,MgMn6(O5F)2,-7.8846070805,-2.1023851411,0.1331486389,0.1331486389,GGA+U,P-1,A2BC6D10_aP19_2_i_a_bc2i_5i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_aP19_2_i_a_bc3i_8i:F-Mg-Mn-O, expected MgMn8(O8F)2 to be MgMn6(O5F)2" +mp-2228856,MgMn6(O5F)2,-7.8552457063,-2.0730237668,0.1625100131,0.1625100131,GGA+U,P-1,A2BC6D10_aP19_2_i_b_ae2i_5i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_aP19_2_i_b_ae3i_10i:F-Mg-Mn-O, expected MgMn8(O10F)2 to be MgMn6(O5F)2" +mp-2228837,MgMn6(O5F)2,-7.8592528689,-2.0770309295,0.1585028505,0.1585028505,GGA+U,P2,A2BC6D10_mP19_3_e_b_ac2e_5e:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_mP19_3_e_a_bc3e_9e:F-Mg-Mn-O, expected MgMn8(O9F)2 to be MgMn6(O5F)2" +mp-2228328,MgMn6(O5F)2,-7.8621480042,-2.0799260647,0.1556077152,0.1556077152,GGA+U,Pm,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O +mp-2228779,MgMn6(O5F)2,-7.8814036932,-2.0991817537,0.1363520262,0.1363520262,GGA+U,Pm,A2BC6D10_mP19_6_2a_b_3a3b_4a6b:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_2a_b_3a3b_4a6b:F-Mg-Mn-O +mp-2228381,MgMn6(O5F)2,-7.8587617389,-2.0765397995,0.1589939805,0.1589939805,GGA+U,Pm,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O +mp-2228389,MgMn6(O5F)2,-7.8213517253,-2.0391297858,0.1964039941,0.1964039941,GGA+U,Pm,A2BC6D10_mP19_6_c_a_ab2c_2a2b3c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_mP19_6_c_a_ab3c_2a2b3c:F-Mg-Mn-O, expected MgMn8(O5F)2 to be MgMn6(O5F)2" +mp-2230722,MgMn6(O5F)2,-7.8501680016,-2.0679460621,0.1675877178,0.1675877178,GGA+U,Pm,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O +mp-2228830,MgMn6(O5F)2,-7.8446797542,-2.0624578147,0.1730759652,0.1730759652,GGA+U,Pm,A2BC6D10_mP19_6_2a_b_3a3b_4a6b:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_2a_b_3a3b_4a6b:F-Mg-Mn-O +mp-2228351,MgMn6(O5F)2,-7.8654365442,-2.0832146047,0.1523191752,0.1523191752,GGA+U,P2/m,A2BC6D10_mP19_10_m_b_cemn_2m3n:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_mP19_10_n_c_bdm2n_6m4n:F-Mg-Mn-O, expected MgMn8(O10F)2 to be MgMn6(O5F)2" +mp-2223127,MgMn2(OF)2,-7.4360696543,-2.6302630841,0.14225997,0.14225997,GGA+U,Pm,A2BC2D2_mP7_6_ab_a_ab_ab:F-Mg-Mn-O,7.0,A2BC2D2_mP7_6_ab_a_ab_ab:F-Mg-Mn-O +mp-2210604,MgMn2(OF)2,-7.3981355786,-2.5923290083,0.1801940457,0.1801940457,GGA+U,Pmm2,A2BC2D2_oP7_25_bc_a_ad_bc:F-Mg-Mn-O,7.0,A2BC2D2_oP7_25_bc_a_ad_bc:F-Mg-Mn-O +mp-2223607,MgMn2(OF)2,-7.2227275929,-2.4169210226,0.3556020314,0.3556020314,GGA+U,Amm2,A2BC2D2_oC14_38_d_a_ab_2b:F-Mg-Mn-O,7.0,A2BC2D2_oC14_38_d_a_ab_2b:F-Mg-Mn-O +mp-2225344,MgMn2(OF)2,-7.3011022243,-2.4952956541,0.2772274,0.2772274,GGA+U,Amm2,A2BC2D2_oC14_38_2b_a_ab_d:F-Mg-Mn-O,7.0,A2BC2D2_oC14_38_2b_a_ab_d:F-Mg-Mn-O +mp-1233202,MgMn8(OF)8,-7.556006962,-2.3655372093,0.1852661863,0.1852661863,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1233570,MgMn8(OF)8,-7.5627760508,-2.3723062981,0.1784970975,0.1784970975,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1233825,MgMn8(OF)8,-7.5922355336,-2.4017657809,0.1490376147,0.1490376147,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1234170,MgMn8(OF)8,-7.567273696,-2.3768039433,0.1739994523,0.1739994523,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1234199,MgMn8(OF)8,-7.5401249304,-2.3496551777,0.2011482179,0.2011482179,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1234271,MgMn8(OF)8,-7.5600397788,-2.3695700261,0.1812333695,0.1812333695,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1234766,MgMn8(OF)8,-7.5560991188,-2.3656293661,0.1851740295,0.1851740295,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-2216241,MgMn8(OF)8,-7.5503044112,-2.3598346585,0.1909687371,0.1909687371,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-Mn-O +mp-1031818,Mg6MnNiO8,-6.6680817406,-2.660747868,0.0350747231,0.0350747231,GGA+U,P4/mmm,A6BCD8_tP16_123_abi_c_d_efgh:Mg-Mn-Ni-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_abi_c_d_2e2fgh:Mg-Mn-Ni-O, expected Mg6MnNiO12 to be Mg6MnNiO8" +mp-1031824,Mg6MnNiO8,-6.6673098894,-2.6599760167,0.0358465744,0.0358465744,GGA+U,P4/mmm,A6BCD8_tP16_123_aci_b_d_efgh:Mg-Mn-Ni-O,16.0,"Invalid WP multiplicities - A6BCD8_tP16_123_aci_b_d_2e2fgh:Mg-Mn-Ni-O, expected Mg6MnNiO12 to be Mg6MnNiO8" +mp-2228529,MgMn4NiO8,-7.9376999971,-1.9661294551,0.0987391932,0.0987391932,GGA+U,P-1,AB4CD8_aP14_2_b_aceh_d_4i:Mg-Mn-Ni-O,14.0,"Invalid WP multiplicities - AB4CD8_aP14_2_b_aceh_d_7i:Mg-Mn-Ni-O, expected MgMn4NiO14 to be MgMn4NiO8" +mp-2228551,MgMn4NiO8,-7.9183408807,-1.9467703387,0.1180983096,0.1180983096,GGA+U,P-1,AB4CD8_aP14_2_b_acdh_e_4i:Mg-Mn-Ni-O,14.0,"Invalid WP multiplicities - AB4CD8_aP14_2_b_acdh_e_7i:Mg-Mn-Ni-O, expected MgMn4NiO14 to be MgMn4NiO8" +mp-2232105,MgMn4(NiO4)2,-7.7413012133,-1.7824929288,0.1737469909,0.1737469909,GGA+U,C2/m,AB4C2D8_mC30_12_b_ei_ac_2ij:Mg-Mn-Ni-O,15.0,"Invalid WP multiplicities - AB4C2D8_mC30_12_a_fi_bc_3i4j:Mg-Mn-Ni-O, expected MgMn4(NiO11)2 to be MgMn4(NiO4)2" +mp-2232540,MgMn4(NiO4)2,-7.72885512,-1.7700468354,0.1861930842,0.1861930842,GGA+U,C2/m,AB4C2D8_mC30_12_b_aci_e_2ij:Mg-Mn-Ni-O,15.0,"Invalid WP multiplicities - AB4C2D8_mC30_12_a_bci_e_4i3j:Mg-Mn-Ni-O, expected MgMn4(NiO10)2 to be MgMn4(NiO4)2" +mp-2232164,MgMn4(NiO4)2,-7.6771211753,-1.7183128908,0.2379270289,0.2379270289,GGA+U,Imm2,AB4C2D8_oI30_44_a_abc_d_2c2d:Mg-Mn-Ni-O,15.0,"Invalid WP multiplicities - AB4C2D8_oI30_44_a_abc_d_4c4d:Mg-Mn-Ni-O, expected MgMn4(NiO8)2 to be MgMn4(NiO4)2" +mp-2232193,MgMn4(NiO4)2,-7.675895758,-1.7170874734,0.2391524462,0.2391524462,GGA+U,Imm2,AB4C2D8_oI30_44_a_abc_d_2c2d:Mg-Mn-Ni-O,15.0,"Invalid WP multiplicities - AB4C2D8_oI30_44_a_abc_d_4c4d:Mg-Mn-Ni-O, expected MgMn4(NiO8)2 to be MgMn4(NiO4)2" +mp-2232146,MgMn4(NiO4)2,-7.1190315507,-1.1602232661,0.7960166536000001,0.7960166536000001,GGA+U,F-43m,AB4C2D8_cF60_216_a_e_bc_2e:Mg-Mn-Ni-O,15.0,"Invalid WP multiplicities - AB4C2D8_cF60_216_a_e_bc_5e:Mg-Mn-Ni-O, expected MgMn4(NiO10)2 to be MgMn4(NiO4)2" +mp-2233064,MgMn(Ni3O4)2,-6.7357932031,-1.4222541336,0.1237093983,0.1237093983,GGA+U,Fm-3m,ABC6D8_cF64_225_a_b_d_ce:Mg-Mn-Ni-O,16.0,ABC6D8_cF64_225_a_b_d_ce:Mg-Mn-Ni-O +mp-2230729,MgMn4(NiO6)2,-7.3926971989,-1.6469667193,0.1182666928,0.1182666928,GGA+U,P1,AB4C2D12_aP19_1_a_4a_2a_12a:Mg-Mn-Ni-O,19.0,AB4C2D12_aP19_1_a_4a_2a_12a:Mg-Mn-Ni-O +mp-2231728,MgMn4(NiO6)2,-7.3976407479,-1.6519102682,0.1133231438,0.1133231438,GGA+U,P1,AB4C2D12_aP19_1_a_4a_2a_12a:Mg-Mn-Ni-O,19.0,AB4C2D12_aP19_1_a_4a_2a_12a:Mg-Mn-Ni-O +mp-1036268,Mg14MnNiO16,-6.5064084291,-2.8659993024,0.0089321428,0.0089321428,GGA+U,Pmmm,A14BCD16_oP32_47_abjlnpy_e_f_cdghikmoz:Mg-Mn-Ni-O,32.0,"Invalid WP multiplicities - A14BCD16_oP32_47_abjl2n2py_e_f_cdghik2m2oz:Mg-Mn-Ni-O, expected Mg18MnNiO20 to be Mg14MnNiO16" +mp-1036266,Mg14MnNiO16,-6.5071323675,-2.8667232409,0.0082082044,0.0082082044,GGA+U,P4/mmm,A14BCD16_tP32_123_ekln_b_d_acfjmo:Mg-Mn-Ni-O,32.0,"Invalid WP multiplicities - A14BCD16_tP32_123_ek3l3n_b_d_acfj3m3o:Mg-Mn-Ni-O, expected Mg30MnNiO32 to be Mg14MnNiO16" +mp-1222170,Mg3MnNi3O8,-6.8325092293,-2.1073908845,0.0,-0.0004895911,GGA+U,R-3m,A3BC3D8_hR45_166_e_a_d_ch:Mg-Mn-Ni-O,15.0,A3BC3D8_hR45_166_e_a_d_ch:Mg-Mn-Ni-O +mp-2240985,MgMn3NiO8,-7.5635392685,-1.8373875534,0.1194783116,0.1194783116,GGA+U,P-1,AB3CD8_aP13_2_c_bdg_a_4i:Mg-Mn-Ni-O,13.0,"Invalid WP multiplicities - AB3CD8_aP13_2_c_bdg_a_7i:Mg-Mn-Ni-O, expected MgMn3NiO14 to be MgMn3NiO8" +mp-2226836,MgMn3NiO8,-7.6354995169,-1.9093478018,0.0475180632,0.0475180632,GGA+U,R-3m,AB3CD8_hR39_166_b_d_a_ch:Mg-Mn-Ni-O,13.0,"Invalid WP multiplicities - AB3CD8_hR39_166_b_d_a_c2h:Mg-Mn-Ni-O, expected MgMn3NiO14 to be MgMn3NiO8" +mp-2217721,MgMn2(NiO3)2,-6.9060950982,-1.3456663471,0.5878942955,0.5878942955,GGA+U,R-3,AB2C2D6_hR33_148_a_c_c_f:Mg-Mn-Ni-O,11.0,AB2C2D6_hR33_148_a_c_c_f:Mg-Mn-Ni-O +mp-2217993,MgMn2(NiO3)2,-7.2826958864,-1.7222671353,0.2112935073,0.2112935073,GGA+U,R-3,AB2C2D6_hR33_148_a_c_c_f:Mg-Mn-Ni-O,11.0,AB2C2D6_hR33_148_a_c_c_f:Mg-Mn-Ni-O +mp-1043098,MgMnNiP2O9,-7.5124917754,-2.377546387,0.0579812404,0.0579812404,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Mg-Mn-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Mg-Mn-Ni-O-P +mp-1038248,Mg30MnNiO32,-6.4178040005,-2.9608572468,0.0036286255,0.0036286255,GGA+U,P4/mmm,A30BCD32_tP64_123_abefjkst_c_d_ghilmnor:Mg-Mn-Ni-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_ab2e2f4j4k3s3t_c_d_ghi4l4m4n4or:Mg-Mn-Ni-O, expected Mg90MnNiO80 to be Mg30MnNiO32" +mp-1038171,Mg30MnNiO32,-6.4176681369,-2.9607213832,0.0037644891,0.0037644891,GGA+U,P4/mmm,A30BCD32_tP64_123_acefjkst_b_d_ghilmnor:Mg-Mn-Ni-O,64.0,"Invalid WP multiplicities - A30BCD32_tP64_123_acefjk6s6t_b_d_2g2h2i3l3m3n3or:Mg-Mn-Ni-O, expected Mg110MnNiO72 to be Mg30MnNiO32" +mp-2231793,MgMn5NiO12,-7.7090950726,-1.7853709818,0.1240671793,0.1240671793,GGA+U,P1,AB5CD12_aP19_1_a_5a_a_12a:Mg-Mn-Ni-O,19.0,AB5CD12_aP19_1_a_5a_a_12a:Mg-Mn-Ni-O +mp-2231803,MgMn5NiO12,-7.7105374195,-1.7868133287,0.1226248324,0.1226248324,GGA+U,P1,AB5CD12_aP19_1_a_5a_a_12a:Mg-Mn-Ni-O,19.0,AB5CD12_aP19_1_a_5a_a_12a:Mg-Mn-Ni-O +mp-2230395,MgMn5NiO12,-7.7141489237,-1.7904248329,0.1190133282,0.1190133282,GGA+U,Cm,AB5CD12_mC38_8_a_a2b_a_4a4b:Mg-Mn-Ni-O,19.0,"Invalid WP multiplicities - AB5CD12_mC38_8_a_a4b_a_4a8b:Mg-Mn-Ni-O, expected MgMn9NiO20 to be MgMn5NiO12" +mp-1233696,MgCr3(SO4)6,-7.0794978279,-1.958949277,0.0811145525,0.0811145525,GGA+U,P1,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S,34.0,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S +mp-1233763,MgCr3(SO4)6,-7.0595713129,-1.939022762,0.1010410675,0.1010410675,GGA+U,P1,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S,34.0,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S +mp-2216844,MgCr3(SO4)6,-7.0867637074,-1.9662151564,0.0738486731,0.0738486731,GGA+U,P1,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S,34.0,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S +mp-2216965,MgCr3(SO4)6,-7.0369760094,-1.9164274585,0.123636371,0.123636371,GGA+U,P1,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S,34.0,A3BC24D6_aP34_1_3a_a_24a_6a:Cr-Mg-O-S +mp-771674,MgCr3(SO4)6,-7.1509479706,-2.0303994197,0.0096644099,0.0096644099,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Mg-O-S,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_22b_4b:Cr-Mg-O-S, expected MgCr3(S2O11)6 to be MgCr3(SO4)6" +mp-769559,MgCr3(SO4)6,-7.1483121765,-2.0277636256,0.012300204,0.012300204,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Mg-O-S,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_4b:Cr-Mg-O-S, expected MgCr3(SO5)12 to be MgCr3(SO4)6" +mp-1233204,MgCr3(SO4)6,-7.0386467459,-1.918098195,0.1219656346,0.1219656346,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Mg-O-S,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_18b_2b:Cr-Mg-O-S, expected MgCr3(SO9)6 to be MgCr3(SO4)6" +mp-1233456,MgCr3(SO4)6,-7.0791400762,-1.9585915253,0.0814723043,0.0814723043,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Mg-O-S,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_18b_2b:Cr-Mg-O-S, expected MgCr3(SO9)6 to be MgCr3(SO4)6" +mp-1048620,Sr4MgCr2(SO3)2,-6.958276824,-2.5837847704,0.1179493917,0.1179493917,GGA+U,P-4m2,A2BC6D2E4_tP15_115_g_a_efg_g_2g:Cr-Mg-O-S-Sr,15.0,"Invalid WP multiplicities - A2BC6D2E4_tP15_115_g_a_e2fg_g_2g:Cr-Mg-O-S-Sr, expected Sr4MgCr2(SO4)2 to be Sr4MgCr2(SO3)2" +mp-1046654,Sr2CrSO3,-7.0042217671,-2.4315717132,0.2288992473,0.2288992473,GGA+U,P4/nmm,AB3CD2_tP14_129_c_cf_c_2c:Cr-O-S-Sr,14.0,AB3CD2_tP14_129_c_cf_c_2c:Cr-O-S-Sr +mp-1048636,Sr3MgCr2S2O5,-6.9968242162,-2.4598089362,0.184080175,0.184080175,GGA+U,I-4m2,A2BC5D2E3_tI26_119_e_c_a2f_e_be:Cr-Mg-O-S-Sr,13.0,"Invalid WP multiplicities - A2BC5D2E3_tI26_119_e_c_a3f_e_be:Cr-Mg-O-S-Sr, expected Sr3MgCr2S2O7 to be Sr3MgCr2S2O5" +mp-1233447,Sr4Mg(SO4)4,-6.6175242548,-2.4554813464,0.2524599797,0.2524599797,GGA,Pm,AB16C4D4_mP25_6_a_4a4b4c_2a2b_2a2b:Mg-O-S-Sr,25.0,"Invalid WP multiplicities - AB16C4D4_mP25_6_a_4a4b8c_2a2b_2a2b:Mg-O-S-Sr, expected Sr4Mg(SO6)4 to be Sr4Mg(SO4)4" +mp-1233978,Sr4Mg(SO4)4,-6.6233825316,-2.4613396232,0.2466017029,0.2466017029,GGA,Pm,AB16C4D4_mP25_6_a_4a4b4c_2a2b_2a2b:Mg-O-S-Sr,25.0,"Invalid WP multiplicities - AB16C4D4_mP25_6_a_4a4b8c_2a2b_2a2b:Mg-O-S-Sr, expected Sr4Mg(SO6)4 to be Sr4Mg(SO4)4" +mp-1239342,Sr3Cr2S2O5,-7.1119379667,-2.3301947508,0.2607335377,0.2607335377,GGA+U,Immm,A2B5C2D3_oI24_71_e_a2f_e_be:Cr-O-S-Sr,12.0,"Invalid WP multiplicities - A2B5C2D3_oI24_71_e_a4f_e_be:Cr-O-S-Sr, expected Sr3Cr2S2O9 to be Sr3Cr2S2O5" +mp-1046613,Sr3Cr2S2O5,-7.0959908775,-2.3142476617,0.2766806268,0.2766806268,GGA+U,I4/mmm,A2B5C2D3_tI24_139_e_ag_e_be:Cr-O-S-Sr,12.0,A2B5C2D3_tI24_139_e_ag_e_be:Cr-O-S-Sr +mp-888449,MgCr7(SO4)12,-3.5725022029,1.6664693983,3.6941738305,3.6941738305,GGA+U,P1,A7BC48D12_aP68_1_7a_a_48a_12a:Cr-Mg-O-S,68.0,A7BC48D12_aP68_1_7a_a_48a_12a:Cr-Mg-O-S +mp-556993,NiBiPO5,-7.0959877434,-2.1250662593,0.0,-0.0043384272,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ni-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Bi-Ni-O-P +mp-1363650,CaNiBiP2O9,-7.2042201486,-2.4204323554,0.0635522786,0.0635522786,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Bi-Ca-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Bi-Ca-Ni-O-P +mp-1043741,NiBiP2O9,-6.8912326898,-1.8937381341,0.1662000075,0.1662000075,GGA+U,Pnma,ABC9D2_oP52_62_c_a_5c2d_2c:Bi-Ni-O-P,52.0,ABC9D2_oP52_62_c_a_5c2d_2c:Bi-Ni-O-P +mp-752834,LiCr(CO3)2,-7.992372503,-2.0224291441,0.07197344,0.040695583,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Cr-Li-O,20.0,A2BCD6_mP20_4_2a_a_a_6a:C-Cr-Li-O +mp-770839,LiCr(CO3)2,-8.064345943,-2.0944025841,0.0,-0.031277857,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Cr-Li-O,40.0,A2BCD6_hR30_148_c_a_b_f:C-Cr-Li-O +mp-758745,LiCrSiO4,-7.9464230636,-2.692988319,0.0917494054,0.0917494054,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cr-Li-O-Si,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Cr-Li-O-Si, expected Li3Cr3Si3O31 to be LiCrSiO4" +mp-763610,LiCrSiO4,-8.0203264479,-2.7668917033,0.0178460211,0.0178460211,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cr-Li-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Cr-Li-O-Si +mp-849735,LiCrSiO4,-7.9775747829,-2.7241400383,0.0605976861,0.0605976861,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Cr-Li-O-Si,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_5c4d_c:Cr-Li-O-Si, expected LiCrSiO13 to be LiCrSiO4" +mp-753436,LiCrSiO4,-7.9839340836,-2.730499339,0.0542383854,0.0542383854,GGA+U,Imma,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Si,28.0,ABC4D_oI28_74_a_e_hi_c:Cr-Li-O-Si +mp-753086,LiCrSiO4,-7.978831105,-2.7253963605,0.0593413639,0.0593413639,GGA+U,Imma,ABC4D_oI28_74_a_c_hi_e:Cr-Li-O-Si,28.0,ABC4D_oI28_74_a_c_hi_e:Cr-Li-O-Si +mp-758241,LiCrSiO4,-7.9938442554,-2.7404095108,0.0443282136,0.0443282136,GGA+U,P4_322,ABC4D_tP28_95_a_b_2d_c:Cr-Li-O-Si,28.0,ABC4D_tP28_95_a_b_2d_c:Cr-Li-O-Si +mp-757623,Li2Cr2Si4O11,-8.0824065847,-2.859312447,0.0177449728,0.0177449728,GGA+U,P-1,A2B2C11D4_aP38_2_2i_2i_11i_4i:Cr-Li-O-Si,38.0,"Invalid WP multiplicities - A2B2C11D4_aP38_2_3i_3i_21i_7i:Cr-Li-O-Si, expected Li3Cr3(SiO3)7 to be Li2Cr2Si4O11" +mp-758712,Li2Cr2Si2O9,-7.7989703608,-2.5659853519,0.0848032191,0.0848032191,GGA+U,Pbcn,A2B2C9D2_oP60_60_d_d_c4d_d:Cr-Li-O-Si,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_60_d_d_2c15d_d:Cr-Li-O-Si, expected LiCrSiO16 to be Li2Cr2Si2O9" +mp-773023,Li2Cr2(Si2O5)3,-8.0796899673,-2.8846427864,0.086248554,0.086248554,GGA+U,Cmce,A2B2C15D6_oC200_64_de_ef_3f6g_3g:Cr-Li-O-Si,100.0,"Invalid WP multiplicities - A2B2C15D6_oC200_64_3d2e_2ef_12f16g_7g:Cr-Li-O-Si, expected Li3Cr5(Si7O22)2 to be Li2Cr2(Si2O5)3" +mp-1177153,Li5Cr(CO3)4,-7.3630982699,-2.1143442559,0.0642608669,0.0642608669,GGA+U,P2_1/c,A4BC5D12_mP88_14_4e_e_5e_12e:C-Cr-Li-O,88.0,"Invalid WP multiplicities - A4BC5D12_mP88_14_7e_e_9e_27e:C-Cr-Li-O, expected Li9CrC7O27 to be Li5Cr(CO3)4" +mp-753129,Li2Cr(SiO3)2,-7.6478813055,-2.7386393481,0.0881931662,0.0881931662,GGA+U,C2/c,AB2C6D2_mC44_15_e_f_ae2f_f:Cr-Li-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_mC44_15_e_f_2a2e4f_f:Cr-Li-O-Si, expected Li2Cr(SiO6)2 to be Li2Cr(SiO3)2" +mp-758182,Li2Cr(SiO3)2,-7.6464212565,-2.7371792992,0.0896532152,0.0896532152,GGA+U,Pmn2_1,AB2C6D2_oP66_31_3a_2a2b_4a7b_2a2b:Cr-Li-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oP66_31_6a_4a6b_8a26b_4a6b:Cr-Li-O-Si, expected Li8Cr3(Si4O15)2 to be Li2Cr(SiO3)2" +mp-753193,Li2Cr(SiO3)2,-7.4931108545,-2.5838688972,0.2429636171,0.2429636171,GGA+U,Fdd2,AB2C6D2_oF88_43_a_b_3b_b:Cr-Li-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_oF88_43_a_b_9b_b:Cr-Li-O-Si, expected Li2Cr(SiO9)2 to be Li2Cr(SiO3)2" +mp-1261497,Li2Cr(SiO3)2,-7.6762546677,-2.7670127104,0.0598198039,0.0598198039,GGA+U,Fdd2,AB2C6D2_oF88_43_a_b_3b_b:Cr-Li-O-Si,22.0,"Invalid WP multiplicities - AB2C6D2_oF88_43_a_b_9b_b:Cr-Li-O-Si, expected Li2Cr(SiO9)2 to be Li2Cr(SiO3)2" +mp-756673,Li9Cr5(SiO8)2,-7.3834754981,-2.5258755422,0.0612348578,0.0612348578,GGA+U,P2/m,A5B9C16D2_mP32_10_dij_cefk2l_mn3o_i:Cr-Li-O-Si,32.0,"Invalid WP multiplicities - A5B9C16D2_mP32_10_a2i2j_bcf2k4l_2m2n11o_j:Cr-Li-O-Si, expected Li15Cr9(SiO26)2 to be Li9Cr5(SiO8)2" +mp-758277,Li2CrSi3O8,-7.8175326907,-2.8660786205,0.0558379292,0.0558379292,GGA+U,P2_1,AB2C8D3_mP28_4_a_2a_8a_3a:Cr-Li-O-Si,28.0,AB2C8D3_mP28_4_a_2a_8a_3a:Cr-Li-O-Si +mp-758247,Li3CrSi2O7,-7.452188987099999,-2.7708602864,0.059474365,0.059474365,GGA+U,Pnma,AB3C7D2_oP52_62_a_cd_c3d_d:Cr-Li-O-Si,52.0,"Invalid WP multiplicities - AB3C7D2_oP52_62_a_2c3d_4c9d_d:Cr-Li-O-Si, expected Li8Cr(SiO11)2 to be Li3CrSi2O7" +mp-758792,Li3CrSi2O7,-7.4679771288,-2.7866484282,0.0436862233,0.0436862233,GGA+U,P6_3,AB3C7D2_hP78_173_a2b_a2b2c_7c_2c:Cr-Li-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_173_a3b_a4b9c_41c_9c:Cr-Li-O-Si, expected Li32Cr4(Si9O41)3 to be Li3CrSi2O7" +mp-758734,Li2Cr2SiO6,-7.87967001,-2.5860890127,0.0628148168,0.0628148168,GGA+U,Fddd,A2B2C6D_oF88_70_e_e_fh_a:Cr-Li-O-Si,22.0,"Invalid WP multiplicities - A2B2C6D_oF88_70_e_e_4f5h_a:Cr-Li-O-Si, expected Li2Cr2SiO28 to be Li2Cr2SiO6" +mp-780620,LiCr(Si2O5)2,-8.1348496997,-2.9642166016,0.092374203,0.092374203,GGA+U,P1,ABC10D4_aP32_1_2a_2a_20a_8a:Cr-Li-O-Si,32.0,ABC10D4_aP32_1_2a_2a_20a_8a:Cr-Li-O-Si +mp-765207,Li3Cr(Si2O5)3,-7.8865082359,-3.0012260391,0.0409749724,0.0409749724,GGA+U,Pnma,AB3C15D6_oP100_62_c_cd_5c5d_2c2d:Cr-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_oP100_62_c_2c2d_19c21d_8c7d:Cr-Li-O-Si, expected Li6CrSi22O61 to be Li3Cr(Si2O5)3" +mp-759348,Li3Cr(Si2O5)3,-7.8862612807,-3.000979084,0.0412219276,0.0412219276,GGA+U,Cmce,AB3C15D6_oC200_64_e_def_3f6g_3g:Cr-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_oC200_64_e_4d2ef_10f20g_5g:Cr-Li-O-Si, expected Li7Cr(SiO5)10 to be Li3Cr(Si2O5)3" +mp-778011,Li3Cr(Si2O5)3,-7.8823988783,-2.9971166816,0.04508433,0.04508433,GGA+U,P6/mcc,AB3C15D6_hP100_192_c_adf_l2m_m:Cr-Li-O-Si,100.0,"Invalid WP multiplicities - AB3C15D6_hP100_192_c_a3d3f_3l8m_m:Cr-Li-O-Si, expected Li8Cr(Si2O19)3 to be Li3Cr(Si2O5)3" +mp-758237,Li2Cr2Si5O13,-8.1179748873,-2.9108165205,0.019555627,0.019555627,GGA+U,P-1,A2B2C13D5_aP44_2_2i_2i_13i_5i:Cr-Li-O-Si,44.0,"Invalid WP multiplicities - A2B2C13D5_aP44_2_3i_3i_25i_9i:Cr-Li-O-Si, expected Li3Cr3Si9O25 to be Li2Cr2Si5O13" +mp-753855,LiCr2(CO3)4,-8.0682739268,-1.8845926473,0.100235595,0.100235595,GGA+U,P1,A4B2CD12_aP19_1_4a_2a_a_12a:C-Cr-Li-O,19.0,A4B2CD12_aP19_1_4a_2a_a_12a:C-Cr-Li-O +mp-767058,Li2Cr(Si2O5)3,-7.9471298254,-2.9378326566,0.0901709084,0.0901709084,GGA+U,P-1,AB2C15D6_aP24_2_b_i_e7i_3i:Cr-Li-O-Si,24.0,"Invalid WP multiplicities - AB2C15D6_aP24_2_b_i_e14i_5i:Cr-Li-O-Si, expected Li2CrSi10O29 to be Li2Cr(Si2O5)3" +mp-775302,Li2Cr(Si2O5)3,-7.9899215574,-2.9806243886,0.0473791764,0.0473791764,GGA+U,Cmce,AB2C15D6_oC192_64_e_de_3f6g_3g:Cr-Li-O-Si,96.0,"Invalid WP multiplicities - AB2C15D6_oC192_64_e_2d3e_12f47g_19g:Cr-Li-O-Si, expected Li5Cr(Si19O53)2 to be Li2Cr(Si2O5)3" +mp-775340,Li2Cr(Si2O5)3,-7.955195969,-2.9458988001,0.0821047649,0.0821047649,GGA+U,Imma,AB2C15D6_oI96_74_a_g_e2hi2j_hj:Cr-Li-O-Si,48.0,"Invalid WP multiplicities - AB2C15D6_oI96_74_a_g_2e6hi6j_2hj:Cr-Li-O-Si, expected Li2Cr(SiO5)8 to be Li2Cr(Si2O5)3" +mp-775349,Li2Cr(Si2O5)3,-8.0009297522,-2.9916325834,0.0363709817,0.0363709817,GGA+U,P-62c,AB2C15D6_hP96_190_f_cg_2h4i_2i:Cr-Li-O-Si,96.0,"Invalid WP multiplicities - AB2C15D6_hP96_190_f_cg_6h12i_4i:Cr-Li-O-Si, expected Li2Cr(Si4O15)3 to be Li2Cr(Si2O5)3" +mp-758171,Li2Cr2Si2O7,-7.8702663754,-2.5932357821,0.1022059794,0.1022059794,GGA+U,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Cr-Li-O-Si,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_5e_5e_25e_5e:Cr-Li-O-Si, expected LiCrSiO5 to be Li2Cr2Si2O7" +mp-765159,LiCrCO4,-7.9705914854,-2.173821389,0.0296750394,0.0296750394,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:C-Cr-Li-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_62_c_c_c_13c:C-Cr-Li-O, expected LiCrCO13 to be LiCrCO4" +mp-755028,Li3Cr3SiO8,-7.8461327033,-2.533816788,0.051181487,0.051181487,GGA+U,P2/m,A3B3C8D_mP15_10_aj_gk_mno_b:Cr-Li-O-Si,30.0,"Invalid WP multiplicities - A3B3C8D_mP15_10_2a2j_cl_mno_b:Cr-Li-O-Si, expected Li3Cr6SiO8 to be Li3Cr3SiO8" +mp-859107,LiCr(SiO3)2,-8.082220863,-2.8729469966,0.0567790372,0.0567790372,GGA+U,P1,ABC6D2_aP80_1_8a_8a_48a_16a:Cr-Li-O-Si,80.0,ABC6D2_aP80_1_8a_8a_48a_16a:Cr-Li-O-Si +mp-765857,LiCr(SiO3)2,-8.097667413,-2.8883935466,0.0413324872,0.0413324872,GGA+U,P-1,ABC6D2_aP30_2_ai_di_9i_3i:Cr-Li-O-Si,30.0,"Invalid WP multiplicities - ABC6D2_aP30_2_a2i_d2i_17i_5i:Cr-Li-O-Si, expected Li5Cr5(Si5O17)2 to be LiCr(SiO3)2" +mp-510529,LiCr(SiO3)2,-8.1350017482,-2.9257278818,0.003998152,0.003998152,GGA+U,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Cr-Li-O-Si,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_11e_3e:Cr-Li-O-Si, expected LiCrSi3O11 to be LiCr(SiO3)2" +mp-18727,LiCr(SiO3)2,-8.1346164007,-2.9253425343,0.0043834995,0.0043834995,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cr-Li-O-Si,40.0,ABC6D2_mC40_15_e_e_3f_f:Cr-Li-O-Si +mp-757604,LiCr(SiO3)2,-8.133755495700001,-2.9244816293,0.0052444045,0.0052444045,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Cr-Li-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_21c_5c:Cr-Li-O-Si, expected LiCrSi5O21 to be LiCr(SiO3)2" +mp-752502,Li7Cr3(SiO6)2,-7.265120815399999,-2.5762665208,0.0701280125,0.0701280125,GGA+U,C2/m,A3B7C12D2_mC48_12_ag_dij_2i2j_h:Cr-Li-O-Si,48.0,A3B7C12D2_mC48_12_ag_dij_2i2j_h:Cr-Li-O-Si +mp-860838,Li2Cr5(Si2O7)2,-6.3478819668,-0.6263620804000001,2.0345811202,2.0330655661,GGA+U,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Cr-Li-O-Si,25.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_a3i_i_13i_3i:Cr-Li-O-Si, expected Li2Cr7(Si3O13)2 to be Li2Cr5(Si2O7)2" +mp-867580,Li2Cr5(Si2O7)2,-8.382463087,-2.6609432006,0.0,-0.0015155541,GGA+U,P-1,A5B2C14D4_aP25_2_a2i_i_7i_2i:Cr-Li-O-Si,50.0,"Invalid WP multiplicities - A5B2C14D4_aP25_2_2a2i_i_7i_2i:Cr-Li-O-Si, expected LiCr3Si2O7 to be Li2Cr5(Si2O7)2" +mp-762870,Li2CrSiO4,-7.3805080988,-2.545137339,0.110709116,0.110709116,GGA+U,Pc,AB2C4D_mP16_7_a_2a_4a_a:Cr-Li-O-Si,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_4a_8a_a:Cr-Li-O-Si, expected Li4CrSiO8 to be Li2CrSiO4" +mp-757733,Li2CrSiO4,-7.3928892903,-2.5575185305,0.0983279245,0.0983279245,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cr-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_7e_e:Cr-Li-O-Si, expected Li3CrSiO7 to be Li2CrSiO4" +mp-758544,Li2CrSiO4,-7.4221539334,-2.5867831736,0.0690632814,0.0690632814,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cr-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_5e_13e_e:Cr-Li-O-Si, expected Li5CrSiO13 to be Li2CrSiO4" +mp-757502,Li2CrSiO4,-7.3838533361,-2.5484825763,0.1073638787,0.1073638787,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Cr-Li-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_5a_13a_29a_5a:Cr-Li-O-Si, expected Li13Cr5Si5O29 to be Li2CrSiO4" +mp-758490,Li2CrSiO4,-7.3968183237,-2.561447564,0.094398891,0.094398891,GGA+U,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Cr-Li-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_5a_16a_31a_5a:Cr-Li-O-Si, expected Li16Cr5Si5O31 to be Li2CrSiO4" +mp-752524,Li2CrSiO4,-7.432858165,-2.5974874052,0.0583590498,0.0583590498,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cr-Li-O-Si,16.0,AB2C4D_oP16_31_a_b_2ab_a:Cr-Li-O-Si +mp-758595,Li2CrSiO4,-7.395206355,-2.5598355952,0.0960108598,0.0960108598,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cr-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:Cr-Li-O-Si, expected Li5CrSiO13 to be Li2CrSiO4" +mp-758188,Li2CrSiO4,-7.4336081028,-2.598237343,0.057609112,0.057609112,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cr-Li-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_5c3d_c:Cr-Li-O-Si, expected Li2CrSiO11 to be Li2CrSiO4" +mp-752766,Li2CrSiO4,-7.4498021613,-2.6144314015,0.0414150535,0.0414150535,GGA+U,P3_121,AB2C4D_hP24_152_a_c_2c_b:Cr-Li-O-Si,24.0,"Invalid WP multiplicities - AB2C4D_hP24_152_a_c_6c_b:Cr-Li-O-Si, expected Li2CrSiO12 to be Li2CrSiO4" +mp-765400,Li3Cr(CO3)3,-7.5677739381,-2.0936482538,0.0586435756,0.0586435756,GGA+U,Ama2,A3BC3D9_oC64_40_bc_b_a2b_3b3c:C-Cr-Li-O,32.0,"Invalid WP multiplicities - A3BC3D9_oC64_40_2b3c_b_2a4b_6b11c:C-Cr-Li-O, expected Li6Cr(C2O7)4 to be Li3Cr(CO3)3" +mp-757512,Li2Cr4Si4O13,-8.2508940852,-2.6666218687,0.0538310444,0.0538310444,GGA+U,P-1,A4B2C13D4_aP46_2_4i_2i_13i_4i:Cr-Li-O-Si,46.0,"Invalid WP multiplicities - A4B2C13D4_aP46_2_7i_3i_25i_7i:Cr-Li-O-Si, expected Li3Cr7Si7O25 to be Li2Cr4Si4O13" +mp-1178100,Li17Cr6(Si2O7)6,-7.4813561757,-2.7640222045,0.0600944103,0.0600944103,GGA+U,P3,A6B17C42D12_hP77_143_2a2b2c_2a2bc4d_14d_4d:Cr-Li-O-Si,77.0,"Invalid WP multiplicities - A6B17C42D12_hP77_143_2a2b2c_2a2bc11d_40d_11d:Cr-Li-O-Si, expected Li38Cr6(Si11O40)3 to be Li17Cr6(Si2O7)6" +mp-757461,Li2CrSiO5,-7.3868173768,-2.5390779557,0.0872377079,0.0872377079,GGA+U,P2_1/c,AB2C5D_mP72_14_2e_4e_10e_2e:Cr-Li-O-Si,72.0,"Invalid WP multiplicities - AB2C5D_mP72_14_7e_13e_39e_7e:Cr-Li-O-Si, expected Li13Cr7Si7O39 to be Li2CrSiO5" +mp-757728,Li2Cr3(SiO3)4,-8.2039154429,-2.7830333096,0.0082644994,0.0082644994,GGA+U,Pnma,A3B2C12D4_oP84_62_a2c_2c_6d_2d:Cr-Li-O-Si,84.0,"Invalid WP multiplicities - A3B2C12D4_oP84_62_2a6c_5c_21d_5d:Cr-Li-O-Si, expected Li5Cr8(Si5O21)2 to be Li2Cr3(SiO3)4" +mp-757933,Li2CrSi4O11,-7.8386400625,-2.8616544432,0.0863396137,0.0863396137,GGA+U,C2/c,AB2C11D4_mC72_15_c_2e_e5f_2f:Cr-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C11D4_mC72_15_a_3e_2e17f_3f:Cr-Li-O-Si, expected Li3Cr(SiO6)6 to be Li2CrSi4O11" +mp-758359,Li2CrSi4O11,-7.8594517939,-2.8824661746,0.0655278823,0.0655278823,GGA+U,I4/m,AB2C11D4_tI72_87_e_h_abh2i_i:Cr-Li-O-Si,36.0,"Invalid WP multiplicities - AB2C11D4_tI72_87_e_h_ab3h6i_i:Cr-Li-O-Si, expected Li2CrSi4O31 to be Li2CrSi4O11" +mp-850539,LiCr(Si2O5)3,-8.0656475159,-2.9215514643,0.0875313783,0.0875313783,GGA+U,Ccc2,ABC15D6_oC184_37_d_ac_15d_6d:Cr-Li-O-Si,92.0,"Invalid WP multiplicities - ABC15D6_oC184_37_d_2a2c_58d_23d:Cr-Li-O-Si, expected Li2CrSi23O58 to be LiCr(Si2O5)3" +mp-765349,Li2Cr5(Si2O5)6,-8.279830097,-2.8596757954000003,0.0986170649,0.0986170649,GGA+U,P1,A5B2C30D12_aP98_1_10a_4a_60a_24a:Cr-Li-O-Si,98.0,A5B2C30D12_aP98_1_10a_4a_60a_24a:Cr-Li-O-Si +mp-774236,Li3CrSiCO7,-7.4737892942,-2.4998954041,0.0374744037,0.0374744037,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Li-O-Si,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Li-O-Si +mp-758282,Li4Cr3(CO3)6,-7.9002789306,-2.0613362328,0.0495907384,0.0495907384,GGA+U,P-1,A6B3C4D18_aP31_2_3i_ai_2i_9i:C-Cr-Li-O,31.0,"Invalid WP multiplicities - A6B3C4D18_aP31_2_5i_ai_3i_17i:C-Cr-Li-O, expected Li6Cr3(C5O17)2 to be Li4Cr3(CO3)6" +mp-762413,Li3CrSiO5,-7.1506249275,-2.5967671619,0.097054678,0.097054678,GGA+U,P-1,AB3C5D_aP20_2_i_3i_5i_i:Cr-Li-O-Si,20.0,"Invalid WP multiplicities - AB3C5D_aP20_2_i_5i_9i_i:Cr-Li-O-Si, expected Li5CrSiO9 to be Li3CrSiO5" +mp-765411,Li3CrSiO5,-7.1695502388,-2.6156924731,0.0781293667,0.0781293667,GGA+U,P-1,AB3C5D_aP20_2_i_ac2i_5i_i:Cr-Li-O-Si,40.0,AB3C5D_aP20_2_i_ac2i_5i_i:Cr-Li-O-Si +mp-753254,LiCrSi3O8,-8.1142695842,-2.9287746522,0.0790220098,0.0790220098,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Cr-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Cr-Li-O-Si, expected LiCr(SiO3)5 to be LiCrSi3O8" +mp-1374032,LiCrSi3O8,-3.8818617477,1.3036331844,4.3114298463,4.3114298463,GGA+U,P-1,ABC8D3_aP26_2_i_i_8i_3i:Cr-Li-O-Si,26.0,"Invalid WP multiplicities - ABC8D3_aP26_2_i_i_15i_5i:Cr-Li-O-Si, expected LiCr(SiO3)5 to be LiCrSi3O8" +mp-752731,Li2CrSi7O16,-8.0353346715,-3.0124447179,0.0692174653,0.0692174653,GGA+U,P1,AB2C16D7_aP26_1_a_2a_16a_7a:Cr-Li-O-Si,26.0,AB2C16D7_aP26_1_a_2a_16a_7a:Cr-Li-O-Si +mp-1369597,Li2CrSi7O16,-0.8777593242,4.1451306294,7.2267928127,7.2267928127,GGA+U,P1,AB2C16D7_aP26_1_a_2a_16a_7a:Cr-Li-O-Si,26.0,AB2C16D7_aP26_1_a_2a_16a_7a:Cr-Li-O-Si +mp-757965,Li2Cr3(CO3)6,-8.0823789914,-1.9724004431,0.050212055,0.050212055,GGA+U,P-1,A6B3C2D18_aP29_2_3i_ai_i_9i:C-Cr-Li-O,29.0,"Invalid WP multiplicities - A6B3C2D18_aP29_2_5i_a2i_i_16i:C-Cr-Li-O, expected Li2Cr5(C5O16)2 to be Li2Cr3(CO3)6" +mp-780684,Li2Cr(CO3)3,-7.6654919523,-1.9536860802,0.0740434903,0.0740434903,GGA+U,Ama2,A3BC2D9_oC60_40_bc_b_ab_3b3c:C-Cr-Li-O,30.0,"Invalid WP multiplicities - A3BC2D9_oC60_40_2b3c_b_2a2b_6b11c:C-Cr-Li-O, expected Li4Cr(C2O7)4 to be Li2Cr(CO3)3" +mp-758615,Li4Cr2Si3O10,-7.6066842792,-2.728545984,0.0262924001,0.0262924001,GGA+U,C2/c,A2B4C10D3_mC76_15_f_2f_5f_ef:Cr-Li-O-Si,38.0,"Invalid WP multiplicities - A2B4C10D3_mC76_15_f_7f_15f_2e3f:Cr-Li-O-Si, expected Li7CrSi4O15 to be Li4Cr2Si3O10" +mp-753778,Li2Cr(CO3)2,-7.5145559386,-1.9137962608,0.2271750505,0.2271750505,GGA+U,P2_1/c,A2BC2D6_mP22_14_e_a_e_3e:C-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_mP22_14_e_a_e_7e:C-Cr-Li-O, expected Li2Cr(CO7)2 to be Li2Cr(CO3)2" +mp-754838,Li2Cr(CO3)2,-7.6772077105,-2.0764480327,0.0645232787,0.0645232787,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_9b:C-Cr-Li-O, expected Li2Cr(CO9)2 to be Li2Cr(CO3)2" +mp-1178034,Li2Cr(CO3)2,-7.6602810218,-2.059521344,0.0814499673,0.0814499673,GGA+U,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Cr-Li-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_43_b_a_b_8b:C-Cr-Li-O, expected Li2Cr(CO8)2 to be Li2Cr(CO3)2" +mp-758640,Li2Cr(Si2O5)2,-7.9149429015,-2.9361751111,0.0468206514,0.0468206514,GGA+U,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Cr-Li-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_3i_19i_7i:Cr-Li-O-Si, expected Li3CrSi7O19 to be Li2Cr(Si2O5)2" +mp-758261,Li2Cr(Si2O5)2,-7.8970724046,-2.9183046142,0.0646911483,0.0646911483,GGA+U,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Cr-Li-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e15f_7f:Cr-Li-O-Si, expected Li7Cr2(Si7O19)2 to be Li2Cr(Si2O5)2" +mp-766075,Li5Cr17(SiO16)2,-8.527730927,-2.406461353,0.0744931221,0.0744931221,GGA+U,Cm,A17B5C32D2_mC112_8_5a6b_3ab_8a12b_b:Cr-Li-O-Si,56.0,"Invalid WP multiplicities - A17B5C32D2_mC112_8_5a9b_3ab_8a20b_b:Cr-Li-O-Si, expected Li5Cr23(SiO24)2 to be Li5Cr17(SiO16)2" +mp-1263657,Li10Cr(SiO5)2,-6.3322096959,-2.4600445085,0.0936144338,0.0936144338,GGA+U,P1,AB10C10D2_aP46_1_2a_20a_20a_4a:Cr-Li-O-Si,46.0,AB10C10D2_aP46_1_2a_20a_20a_4a:Cr-Li-O-Si +mp-767255,Li10Cr(SiO5)2,-6.3318788963,-2.4597137089,0.0939452333,0.0939452333,GGA+U,C2/m,AB10C10D2_mC92_12_i_4i3j_g5i2j_2i:Cr-Li-O-Si,46.0,"Invalid WP multiplicities - AB10C10D2_mC92_12_i_7i6j_g9i4j_3i:Cr-Li-O-Si, expected Li19Cr(SiO6)3 to be Li10Cr(SiO5)2" +mp-757421,Li2Cr3Si3O10,-8.1421312506,-2.668807398,0.042824204,0.042824204,GGA+U,C2/c,A3B2C10D3_mC72_15_cf_f_5f_ef:Cr-Li-O-Si,36.0,"Invalid WP multiplicities - A3B2C10D3_mC72_15_a2f_f_17f_ef:Cr-Li-O-Si, expected Li2Cr5Si3O34 to be Li2Cr3Si3O10" +mp-1177439,Li5Cr(SiO3)4,-7.3924264586,-2.835190165,0.0713517843,0.0713517843,GGA+U,R32,AB5C12D4_hR396_155_de_acd4f_12f_4f:Cr-Li-O-Si,132.0,"Invalid WP multiplicities - AB5C12D4_hR396_155_3d2e_a2cd12f_36f_11f:Cr-Li-O-Si, expected Li80Cr15(Si11O36)6 to be Li5Cr(SiO3)4" +mp-861689,Li15Cr15SiO32,-7.7333664808,-2.3817964516,0.0693044712,0.0693044712,GGA+U,P1,A15B15C32D_aP63_1_15a_15a_32a_a:Cr-Li-O-Si,63.0,A15B15C32D_aP63_1_15a_15a_32a_a:Cr-Li-O-Si +mp-759372,Li4Cr2Si4O13,-7.7459204813,-2.8350504042,0.040423533,0.040423533,GGA+U,Pna2_1,A2B4C13D4_oP92_33_2a_4a_13a_4a:Cr-Li-O-Si,92.0,"Invalid WP multiplicities - A2B4C13D4_oP92_33_5a_13a_49a_13a:Cr-Li-O-Si, expected Li13Cr5Si13O49 to be Li4Cr2Si4O13" +mp-1521041,Eu2FeWO6,-9.690340722,-2.5281119913,0.0294737423,0.0294737423,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Fe-O-W +mp-1225231,Gd2VFeO6,-10.5744010155,-3.0357706128,0.0012989157,0.0012989157,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-Gd-O-V,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Fe-Gd-O-V, expected Gd2VFeO10 to be Gd2VFeO6" +mp-772135,Na2FeSiCO7,-7.1998738704,-2.1668841789,0.0442697574,0.0442697574,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Na-O-Si,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Fe-Na-O-Si, expected Na2FeSiCO13 to be Na2FeSiCO7" +mp-771204,Na3FeSiCO7,-7.0453167435,-2.2977473903,0.0,-0.0044153859,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Fe-Na-O-Si, expected Na4FeSiCO13 to be Na3FeSiCO7" +mp-1182787,Na3FeC6O17,-6.6563255529,-1.0302774737,0.7137021907000001,0.7137021907000001,GGA+U,C2/c,A6BC3D17_mC216_15_6f_f_2e2f_17f:C-Fe-Na-O,108.0,A6BC3D17_mC216_15_6f_f_2e2f_17f:C-Fe-Na-O +mp-1199823,Na3FeC6O17,-6.5345817732,-0.9085336941,0.8354459703,0.8354459703,GGA+U,C2/c,A6BC3D17_mC216_15_6f_f_2e2f_17f:C-Fe-Na-O,108.0,A6BC3D17_mC216_15_6f_f_2e2f_17f:C-Fe-Na-O +mp-1234502,CaV2Bi2(PbO5)2,-6.9152019288,-1.9301094857,0.2414624049,0.2414624049,GGA+U,C2,A2BC10D2E2_mC34_5_c_a_2b4c_c_c:Bi-Ca-O-Pb-V,17.0,A2BC10D2E2_mC34_5_c_a_2b4c_c_c:Bi-Ca-O-Pb-V +mp-1227801,Ca2V2PbO8,-7.6849094031,-2.6491271985,0.0503012075,0.0503012075,GGA+U,R3m,A2B8CD2_hR39_160_2a_2a2b_a_2a:Ca-O-Pb-V,13.0,A2B8CD2_hR39_160_2a_2a2b_a_2a:Ca-O-Pb-V +mp-686572,NaPr9Si6(SO12)2,-8.3639738945,-3.5093068928,0.0,-0.0178214869,GGA,Pc,AB24C9D2E6_mP84_7_a_24a_9a_2a_6a:Na-O-Pr-S-Si,84.0,"Invalid WP multiplicities - AB24C9D2E6_mP84_7_a_48a_18a_4a_12a:Na-O-Pr-S-Si, expected NaPr18Si12(SO12)4 to be NaPr9Si6(SO12)2" +mp-1221010,NaPr9Si6(SO12)2,-8.3625306457,-3.507863644,0.0014432488,-0.0163782381,GGA,P3,AB24C9D2E6_hP42_143_a_8d_a2b2d_2c_2d:Na-O-Pr-S-Si,42.0,AB24C9D2E6_hP42_143_a_8d_a2b2d_2c_2d:Na-O-Pr-S-Si +mp-1020159,Na2Si(S2O7)3,-6.5141713127,-1.9551869543,0.0,-0.0307426805,GGA,P2_12_12_1,A2B21C6D_oP120_19_2a_21a_6a_a:Na-O-S-Si,120.0,A2B21C6D_oP120_19_2a_21a_6a_a:Na-O-S-Si +mp-18104,Na2Si2S5,-4.9925714736,-1.1950230312,0.0,-0.1103525047,GGA,Cmcm,A2B5C2_oC72_63_eg_2cfgh_fg:Na-S-Si,36.0,"Invalid WP multiplicities - A2B5C2_oC72_63_2e2g_3cfg2h_2f2g:Na-S-Si, expected Na8Si8S15 to be Na2Si2S5" +mp-16159,Pr4Si2S3O7,-8.0526169958,-3.2394651421,0.0,-0.0218792761,GGA,I4_1/amd,A7B4C3D2_tI128_141_ehi_gh_abf_h:O-Pr-S-Si,64.0,A7B4C3D2_tI128_141_ehi_gh_abf_h:O-Pr-S-Si +mp-1220875,NaPrS2,-5.532318405,-1.9382357095,0.0885696325,-0.0041372719,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Na-Pr-S,4.0,ABC2_tP4_123_a_d_bc:Na-Pr-S +mp-675199,NaPrS2,-5.6120719038,-2.0179892082,0.0088161337,-0.0838907706,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Na-Pr-S,8.0,ABC2_tI16_141_a_b_e:Na-Pr-S +mp-1220912,NaPrS2,-5.6208880375,-2.026805342,0.0,-0.0927069044,GGA,R-3m,ABC2_hR12_166_a_b_c:Na-Pr-S,4.0,ABC2_hR12_166_a_b_c:Na-Pr-S +mp-1204740,TeAsXeO2F11,-4.2241342494,-1.801743966,0.1397706545,0.1397706545,GGA,P-1,AB11C2DE_aP32_2_i_11i_2i_i_i:As-F-O-Te-Xe,32.0,AB11C2DE_aP32_2_i_11i_2i_i_i:As-F-O-Te-Xe +mp-1214736,Ba2CaV2FeF14,-6.5469151138,-3.584810681,0.0,-0.0186351258,GGA+U,C2/c,A2BC14DE2_mC80_15_f_e_7f_a_f:Ba-Ca-F-Fe-V,40.0,A2BC14DE2_mC80_15_f_e_7f_c_f:Ba-Ca-F-Fe-V +mp-1222806,LaGdB12,-7.5907558357,-0.5075536504,0.0018685857,0.0018685857,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Gd-La,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Gd-La, expected LaGdB32 to be LaGdB12" +mp-554815,LaSc3(BO3)4,-8.9731280288,-3.4725657268,0.000233254,-0.0138100955,GGA,Cc,A4BC12D3_mC80_9_4a_a_12a_3a:B-La-O-Sc,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_9_8a_a_24a_6a:B-La-O-Sc, expected LaSc6(BO3)8 to be LaSc3(BO3)4" +mp-6217,LaSc3(BO3)4,-8.9733612828,-3.4727989808,0.0,-0.0140433495,GGA,C2/c,A4BC12D3_mC80_15_2f_e_6f_ef:B-La-O-Sc,40.0,A4BC12D3_mC80_15_2f_e_6f_ef:B-La-O-Sc +mp-10348,LaSc3(BO3)4,-8.9731421475,-3.4725798456,0.0002191352,-0.0138242142,GGA,R32,A4BC12D3_hR60_155_ad_b_2df_e:B-La-O-Sc,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_155_ad_b_3df_e:B-La-O-Sc, expected LaSc3B4O15 to be LaSc3(BO3)4" +mp-556530,LaSc3(BO3)4,-8.876133271,-3.3755709691,0.0972280117,0.0831846623,GGA,R32,A4BC12D3_hR60_155_ad_b_2df_e:B-La-O-Sc,20.0,"Invalid WP multiplicities - A4BC12D3_hR60_155_a2d_b_5d3f_e:B-La-O-Sc, expected LaSc3B7O33 to be LaSc3(BO3)4" +mp-1223571,La4GdSc15(BO3)20,-9.0602977453,-3.468334292,0.0005502588,0.0005502588,GGA,C2,A20BC4D60E15_mC200_5_2a9c_b_2c_2a29c_b7c:B-Gd-La-O-Sc,100.0,"Invalid WP multiplicities - A20BC4D60E15_mC200_5_2a16c_b_3c_2a56c_b12c:B-Gd-La-O-Sc, expected La6GdSc25(B17O57)2 to be La4GdSc15(BO3)20" +mp-861868,KNaLaTaO5,-8.0368951106,-3.1524337181,0.0,-0.0813206766,GGA,P4/nmm,ABCD5E_tP18_129_a_b_c_cj_c:K-La-Na-O-Ta,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_b_c_2cj_c:K-La-Na-O-Ta, expected KNaLaTaO6 to be KNaLaTaO5" +mp-1521418,KNdNbInO6,-7.539016738,-2.6978499963,0.197813982,0.197813982,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:In-K-Nb-Nd-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:In-K-Nb-Nd-O +mp-1077942,Rb2TeSe4,-3.6227676414,-0.8959076487000001,0.0071769645,0.0071769645,GGA,C2/m,A2B4C_mC14_12_i_j_a:Rb-Se-Te,7.0,A2B4C_mC14_12_i_j_a:Rb-Se-Te +mp-603414,Rb2TeH6SeO10,-5.3674652111,-1.4462887662,0.0508608492,0.0360031446,GGA,P2_1/c,A6B10C2DE_mP80_14_6e_10e_2e_e_ad:H-O-Rb-Se-Te,80.0,"Invalid WP multiplicities - A6B10C2DE_mP80_14_23e_36e_6e_e_ad:H-O-Rb-Se-Te, expected Rb6TeH23SeO36 to be Rb2TeH6SeO10" +mp-1179820,Rb2TeH6SeO10,-5.4183260604,-1.4971496155,0.0,-0.0148577046,GGA,P2_1/c,A6B10C2DE_mP80_14_6e_10e_2e_e_ad:H-O-Rb-Se-Te,80.0,"Invalid WP multiplicities - A6B10C2DE_mP80_14_23e_36e_6e_e_ad:H-O-Rb-Se-Te, expected Rb6TeH23SeO36 to be Rb2TeH6SeO10" +mp-17030,RbMo6Se7,-7.3329193096,-0.8667896614,0.0153848193,0.0153848193,GGA,R-3,A6BC7_hR84_148_2f_c_c2f:Mo-Rb-Se,28.0,"Invalid WP multiplicities - A6BC7_hR84_148_2f_c_c3f:Mo-Rb-Se, expected Rb(Mo3Se5)2 to be RbMo6Se7" +mp-1198239,Rb4Mo5H4Se2O23,-6.9066825788,-1.8412364121,0.0072630884,0.0072630884,GGA+U,C2,A4B5C23D4E2_mC152_5_4c_ab4c_ab22c_4c_2c:H-Mo-O-Rb-Se,76.0,A4B5C23D4E2_mC152_5_4c_ab4c_ab22c_4c_2c:H-Mo-O-Rb-Se +mp-1200083,Rb4Mo5H4Se2O23,-6.9096091932,-1.8441630265,0.0043364741,0.0043364741,GGA+U,C2,A4B5C23D4E2_mC152_5_4c_ab4c_ab22c_4c_2c:H-Mo-O-Rb-Se,76.0,A4B5C23D4E2_mC152_5_4c_ab4c_ab22c_4c_2c:H-Mo-O-Rb-Se +mp-1196754,Rb4Mo5H4Se2O23,-6.9110936111,-1.8456474444,0.0028520562,0.0028520562,GGA+U,P2_1/c,A4B5C23D4E2_mP152_14_4e_5e_23e_4e_2e:H-Mo-O-Rb-Se,152.0,A4B5C23D4E2_mP152_14_4e_5e_23e_4e_2e:H-Mo-O-Rb-Se +mp-1198721,Rb2Mo3SeO12,-7.3664415728,-1.9578752124,0.0,-0.0019343824,GGA+U,P6_3,A3B12C2D_hP36_173_c_4c_2b_a:Mo-O-Rb-Se,36.0,A3B12C2D_hP36_173_c_4c_2b_a:Mo-O-Rb-Se +mp-556349,Rb2MoSeO6,-6.5171616,-1.9188854,0.0,-0.0168143858,GGA+U,Pnma,AB6C2D_oP40_62_c_2c2d_2c_c:Mo-O-Rb-Se,40.0,"Invalid WP multiplicities - AB6C2D_oP40_62_c_8c13d_6c_c:Mo-O-Rb-Se, expected Rb6MoSeO34 to be Rb2MoSeO6" +mp-568072,Rb5Mo27Se31,-7.3195267577,-0.8733604221,0.0127648667,0.0127648667,GGA,P6_3/m,A27B5C31_hP126_176_h4i_a2f_efh4i:Mo-Rb-Se,126.0,"Invalid WP multiplicities - A27B5C31_hP126_176_6h37i_2a6f_4e4f6h34i:Mo-Rb-Se, expected Rb7Mo120Se119 to be Rb5Mo27Se31" +mp-1195519,Rb2Mo15Se19,-7.2722263551,-0.8536669698,0.0382437529,0.0382437529,GGA,R-3c,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Rb-Se,72.0,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Rb-Se +mp-542629,Rb2Mo9Se10,-7.2960546205,-0.8898149104,0.0042119948,0.0042119948,GGA,R-3,A9B2C10_hR126_148_3f_2c_c3f:Mo-Rb-Se,42.0,A9B2C10_hR126_148_3f_2c_c3f:Mo-Rb-Se +mp-580799,Rb4(Mo7Se8)3,-7.314526292,-0.8740637601000001,0.013190331,0.013190331,GGA,R-3,A21B4C24_hR294_148_7f_4c_3c7f:Mo-Rb-Se,98.0,"Invalid WP multiplicities - A21B4C24_hR294_148_35f_7c_6c39f:Mo-Rb-Se, expected Rb7(Mo35Se41)3 to be Rb4(Mo7Se8)3" +mp-1194625,Rb2Mo3Se3O16,-6.9354414217,-1.7632425763,0.0,-0.0060882246,GGA+U,P2_1/c,A3B16C2D3_mP96_14_3e_16e_2e_3e:Mo-O-Rb-Se,96.0,A3B16C2D3_mP96_14_3e_16e_2e_3e:Mo-O-Rb-Se +mp-1193232,Rb2MoSe4,-4.9271721618,-1.099977281,0.0,-0.0113947799,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mo-Rb-Se,28.0,AB2C4_oP28_62_c_2c_2cd:Mo-Rb-Se +mp-1103685,Rb(MoSe)3,-7.2041915879,-0.9177317542,0.0,-0.0612395147,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Rb-Se,14.0,A3BC3_hP14_176_h_c_h:Mo-Rb-Se +mp-28539,Rb3Mo15Se17,-7.3081928273,-0.8779971419,0.0112887934,0.0112887934,GGA,P6_3/m,A15B3C17_hP70_176_h2i_ce_fh2i:Mo-Rb-Se,70.0,"Invalid WP multiplicities - A15B3C17_hP70_176_h2i_ce_fh9i:Mo-Rb-Se, expected Rb3Mo15Se59 to be Rb3Mo15Se17" +mp-1519438,KPrDySbO6,-7.264618315,-2.83389581,0.1333375733,0.1333375733,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Pr-Sb,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-K-O-Pr-Sb +mp-2228288,Sr2MgCu(OF)2,-5.22733383,-2.377982707,0.742168535,0.742168535,GGA,I4mm,AB2CD2E2_tI16_107_a_b_a_b_2a:Cu-F-Mg-O-Sr,8.0,AB2CD2E2_tI16_107_a_b_a_b_2a:Cu-F-Mg-O-Sr +mp-2241579,Sr2MgCu(OF)2,-5.177849305,-2.328498182,0.79165306,0.79165306,GGA,I4/mmm,AB2CD2E2_tI16_139_a_d_b_c_e:Cu-F-Mg-O-Sr,8.0,AB2CD2E2_tI16_139_a_d_b_c_e:Cu-F-Mg-O-Sr +mp-2226406,MgCu2(O2F)2,-4.8948114556,-1.1827663256,0.5569784219,0.5569784219,GGA,Pm,A2B2CD4_mP9_6_ab_ab_a_2a2b:Cu-F-Mg-O,9.0,A2B2CD4_mP9_6_ab_ab_a_2a2b:Cu-F-Mg-O +mp-2240024,MgCu2(O2F)2,-4.9813152,-1.26927007,0.4704746775,0.4704746775,GGA,Pm,A2B2CD4_mP9_6_ab_ab_a_2a2b:Cu-F-Mg-O,9.0,A2B2CD4_mP9_6_ab_ab_a_2a2b:Cu-F-Mg-O +mp-2227351,MgCu2(O2F)2,-4.9881015767,-1.2760564467,0.4636883008,0.4636883008,GGA,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Cu-F-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Cu-F-Mg-O +mp-2240166,MgCu2(O2F)2,-4.9381565467,-1.2261114167,0.5136333308000001,0.5136333308000001,GGA,Imm2,A2B2CD4_oI18_44_c_c_a_2c:Cu-F-Mg-O,9.0,A2B2CD4_oI18_44_c_c_a_2c:Cu-F-Mg-O +mp-2230054,MgCu6(OF5)2,-4.7262331516,-1.8207759322,0.1274999784,0.1274999784,GGA,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Cu-F-Mg-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Cu-F-Mg-O +mp-2230402,MgCu6(OF5)2,-4.7567993563,-1.851342137,0.0969337737,0.0969337737,GGA,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Cu-F-Mg-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Cu-F-Mg-O +mp-2220516,MgCu6OF11,-4.6006004021,-1.854891064,0.1384643561,0.1384643561,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220477,MgCu6OF11,-4.6881975437,-1.9424882056,0.0508672145,0.0508672145,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220476,MgCu6OF11,-4.6636268258,-1.9179174877,0.0754379324,0.0754379324,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220750,MgCu6OF11,-4.6460062242,-1.9002968861,0.0930585339,0.0930585339,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220488,MgCu6OF11,-4.6704580232,-1.9247486851,0.068606735,0.068606735,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220518,MgCu6OF11,-4.6570986226,-1.9113892845,0.0819661355,0.0819661355,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220474,MgCu6OF11,-4.5724613763,-1.8267520382,0.1666033818,0.1666033818,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220570,MgCu6OF11,-4.66021067,-1.9145013319,0.0788540882,0.0788540882,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220532,MgCu6OF11,-4.6668895605,-1.9211802224,0.0721751976,0.0721751976,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220525,MgCu6OF11,-4.6498362732,-1.9041269351,0.089228485,0.089228485,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220662,MgCu6OF11,-4.6454178289,-1.8997084909,0.0936469292,0.0936469292,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220491,MgCu6OF11,-4.6335410711,-1.887831733,0.1055236871,0.1055236871,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220882,MgCu6OF11,-4.6205472837,-1.8748379456,0.1185174745,0.1185174745,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220509,MgCu6OF11,-4.6187272926,-1.8730179545,0.1203374655,0.1203374655,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2220511,MgCu6OF11,-4.6396706579,-1.8939613198,0.0993941003,0.0993941003,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Mg-O +mp-2217544,MgCu4(OF2)2,-4.9849579755,-1.7543761552,0.1318702882,0.1318702882,GGA,P1,A4B4CD2_aP11_1_4a_4a_a_2a:Cu-F-Mg-O,11.0,A4B4CD2_aP11_1_4a_4a_a_2a:Cu-F-Mg-O +mp-2217616,MgCu4(OF2)2,-4.9877401273,-1.757158307,0.1290881364,0.1290881364,GGA,C2,A4B4CD2_mC22_5_2c_2c_a_ab:Cu-F-Mg-O,11.0,"Invalid WP multiplicities - A4B4CD2_mC22_5_3c_4c_a_ab:Cu-F-Mg-O, expected MgCu6(OF4)2 to be MgCu4(OF2)2" +mp-2233379,MgCu6(OF)4,-5.0147698587,-1.4395571397,0.195271876,0.195271876,GGA,P1,A6B4CD4_aP15_1_6a_4a_a_4a:Cu-F-Mg-O,15.0,A6B4CD4_aP15_1_6a_4a_a_4a:Cu-F-Mg-O +mp-1522334,CaEuZnWO6,-8.206570418,-2.5905096392,0.0777937838,0.0777937838,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-W-Zn,,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-W-Zn +mp-1228689,Ba(TeMo)6,-7.0859672446,-0.4819125554,0.1588891965,0.1588891965,GGA,P-6,AB6C6_hP13_174_a_jk_jk:Ba-Mo-Te,13.0,AB6C6_hP13_174_a_jk_jk:Ba-Mo-Te +mp-601377,BaTe2Mo2(HO6)2,-6.9338975049,-1.8790236327,0.0401896616,0.0401896616,GGA+U,P2_12_12_1,AB2C2D12E2_oP76_19_a_2a_2a_12a_2a:Ba-H-Mo-O-Te,76.0,"Invalid WP multiplicities - AB2C2D12E2_oP76_19_a_6a_6a_46a_6a:Ba-H-Mo-O-Te, expected BaTe6Mo6(H3O23)2 to be BaTe2Mo2(HO6)2" +mp-1182595,BaTe2Mo2(HO6)2,-6.9605362605,-1.9056623883,0.0135509059,0.0135509059,GGA+U,P2_12_12_1,AB2C2D12E2_oP76_19_a_2a_2a_12a_2a:Ba-H-Mo-O-Te,76.0,"Invalid WP multiplicities - AB2C2D12E2_oP76_19_a_6a_6a_46a_6a:Ba-H-Mo-O-Te, expected BaTe6Mo6(H3O23)2 to be BaTe2Mo2(HO6)2" +mp-1203413,BaTeMo2O9,-7.6343985152,-2.1518000956,0.0117921331,0.0117921331,GGA+U,Pca2_1,AB2C9D_oP104_29_2a_4a_18a_2a:Ba-Mo-O-Te,104.0,AB2C9D_oP104_29_2a_4a_18a_2a:Ba-Mo-O-Te +mp-1038732,CsMg30SbO32,-6.1160869656,-2.8141050301,0.1651806414,0.1651806414,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cs-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cs-Mg-O-Sb, expected CsMg110SbO72 to be CsMg30SbO32" +mp-1038750,CsMg30SbO32,-6.1047272503,-2.8027453148,0.1765403567,0.1765403567,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cs-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cs-Mg-O-Sb, expected CsMg90SbO80 to be CsMg30SbO32" +mp-1197959,CsSb2PO8,-6.7371450808,-2.2254603268,0.0,-0.0505200744,GGA,C2/m,AB8CD2_mC96_12_2i_6i5j_2i_2ij:Cs-O-P-Sb,48.0,AB8CD2_mC96_12_2i_6i5j_2i_2ij:Cs-O-P-Sb +mp-1016372,CsMg6Sb,-1.75417334,0.074087149,0.2414654224,0.2414654224,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Sb,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Sb +mp-1033518,CsMg6SbO8,-5.4991493713,-2.1116747711,0.6433470169000001,0.6433470169000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cs-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cs-Mg-O-Sb, expected CsMg6SbO12 to be CsMg6SbO8" +mp-1033568,CsMg6SbO8,-5.4035061187,-2.0160315186,0.7389902694,0.7389902694,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cs-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cs-Mg-O-Sb, expected CsMg6SbO12 to be CsMg6SbO8" +mp-2218629,CsMgSb(PO4)2,-6.9285585277,-2.5420355765,0.1144702344,0.1144702344,GGA,P3,ABC8D2E_hP13_143_b_a_ac2d_ac_b:Cs-Mg-O-P-Sb,13.0,"Invalid WP multiplicities - ABC8D2E_hP13_143_b_a_ac3d_ac_b:Cs-Mg-O-P-Sb, expected CsMgSbP2O11 to be CsMgSb(PO4)2" +mp-1035330,CsMg14SbO16,-5.85074027,-2.5202607796,0.3842702641,0.3842702641,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cs-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cs-Mg-O-Sb, expected CsMg18SbO20 to be CsMg14SbO16" +mp-1035313,CsMg14SbO16,-5.8708391062,-2.5403596159,0.3641714278,0.3641714278,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cs-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cs-Mg-O-Sb, expected CsMg30SbO32 to be CsMg14SbO16" +mp-1026597,CsMg14Sb,-1.6191904719,0.0950797976,0.1901978411,0.1901978411,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-Sb, expected CsMg18Sb to be CsMg14Sb" +mp-1026568,CsMg14Sb,-1.5764502919,0.1378199776,0.2329380211,0.2329380211,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Sb, expected CsMg26Sb to be CsMg14Sb" +mp-554822,CsSb(PO4)2,-7.0901563175,-2.4714464579,0.0,-0.0383978385,GGA,P-3,AB8C2D_hP12_147_a_dg_d_b:Cs-O-P-Sb,12.0,"Invalid WP multiplicities - AB8C2D_hP12_147_a_2d2g_d_b:Cs-O-P-Sb, expected CsSb(PO8)2 to be CsSb(PO4)2" +mp-2646974,MoSO,-7.3848660358,-0.7419364731,0.8700429683,0.8700429683,GGA+U,P4bm,ABC_tP12_100_c_c_c:Mo-O-S,12.0,ABC_tP12_100_c_c_c:Mo-O-S +mp-18612,Rb2MoS4,-5.4351049057,-1.2418880882,0.0,-0.0641134881,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mo-Rb-S,28.0,"Invalid WP multiplicities - AB2C4_oP28_62_c_5c_3c3d:Mo-Rb-S, expected Rb5MoS9 to be Rb2MoS4" +mp-669350,Rb5Mo18S19,-7.6542682458,-1.0181511074,0.0040086688,0.0040086688,GGA,R-3,A18B5C19_hR252_148_6f_5c_c6f:Mo-Rb-S,84.0,"Invalid WP multiplicities - A18B5C19_hR252_148_32f_10c_2c31f:Mo-Rb-S, expected Rb10Mo96S95 to be Rb5Mo18S19" +mp-565836,MoSO6,-7.3824080095,-1.7996289789,0.0,-0.047661721,GGA+U,C2/c,AB6C_mC192_15_3f_18f_3f:Mo-O-S,96.0,"Invalid WP multiplicities - AB6C_mC192_15_7f_65f_11f:Mo-O-S, expected Mo7S11O65 to be MoSO6" +mp-704102,MoSO6,-7.3750280568,-1.7922490262,0.0073799527,-0.0402817683,GGA+U,Pna2_1,AB6C_oP192_33_6a_36a_6a:Mo-O-S,192.0,"Invalid WP multiplicities - AB6C_oP192_33_20a_142a_20a:Mo-O-S, expected Mo10S10O71 to be MoSO6" +mp-1201941,Rb6Mo27S31,-7.6952563283,-1.0242297146,0.0116450566,0.0116450566,GGA,R-3c,A27B6C31_hR384_167_e4f_3c_2ce4f:Mo-Rb-S,128.0,A27B6C31_hR384_167_e4f_3c_2ce4f:Mo-Rb-S +mp-1203858,Rb8Mo33S37,-7.6768413932,-1.0255674024,0.0075676797,0.0075676797,GGA,R-3c,A33B8C37_hR468_167_e5f_4c_2ce5f:Mo-Rb-S,156.0,A33B8C37_hR468_167_e5f_4c_2ce5f:Mo-Rb-S +mp-566185,Rb2Mo15S19,-7.453845501,-0.6972241880000001,0.3505225694,0.3505225694,GGA,R-3c,A15B2C19_hR216_167_e2f_c_2ce2f:Mo-Rb-S,72.0,"Invalid WP multiplicities - A15B2C19_hR216_167_5e19f_c_8c6e17f:Mo-Rb-S, expected Rb2Mo129S136 to be Rb2Mo15S19" +mp-1193349,Rb2Mo(SO)2,-6.0162376839,-1.5915240537000002,0.1296043993,0.1296043993,GGA+U,P2_1/c,AB2C2D2_mP28_14_e_2e_2e_2e:Mo-O-Rb-S,28.0,AB2C2D2_mP28_14_e_2e_2e_2e:Mo-O-Rb-S +mp-1104440,Rb2Mo(SO)2,-6.0181293821,-1.593415752,0.1277127011,0.1277127011,GGA+U,C2/c,AB2C2D2_mC28_15_e_f_f_f:Mo-O-Rb-S,14.0,AB2C2D2_mC28_15_e_f_f_f:Mo-O-Rb-S +mp-579861,Rb4Mo21S25,-7.7247239176,-1.0228832122,0.0172654741,0.0172654741,GGA,R-3c,A21B4C25_hR300_167_e3f_2c_2ce3f:Mo-Rb-S,100.0,"Invalid WP multiplicities - A21B4C25_hR300_167_4e24f_5c_8c5e32f:Mo-Rb-S, expected Rb10Mo156S223 to be Rb4Mo21S25" +mp-2228726,Rb4MgMo2(SO)4,-5.8016626773,-1.5652446192,0.231628415,0.231628415,GGA+U,P1,AB2C4D4E4_aP15_1_a_2a_4a_4a_4a:Mg-Mo-O-Rb-S,15.0,AB2C4D4E4_aP15_1_a_2a_4a_4a_4a:Mg-Mo-O-Rb-S +mp-2228706,Rb4MgMo2(SO)4,-5.7968728787,-1.5604548205,0.2364182137,0.2364182137,GGA+U,C2,AB2C4D4E4_mC30_5_a_ab_2c_2c_2c:Mg-Mo-O-Rb-S,15.0,AB2C4D4E4_mC30_5_a_ab_2c_2c_2c:Mg-Mo-O-Rb-S +mp-8117,Rb(MoS)3,-7.581587075,-1.0206107888,0.0,-0.0347037191,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Rb-S,14.0,A3BC3_hP14_176_h_c_h:Mo-Rb-S +mp-1219766,Rb(MoS)9,-8.0282238029,-0.8798325469,0.0653398221,0.0653398221,GGA,P6_3/m,A9BC9_hP38_176_hi_c_hi:Mo-Rb-S,38.0,"Invalid WP multiplicities - A9BC9_hP38_176_6h5i_c_6h5i:Mo-Rb-S, expected Rb(MoS)48 to be Rb(MoS)9" +mp-1106055,Rb2MoSO4,-6.0300227669,-1.438782396,0.6558544196,0.6558544196,GGA+U,R-3m,AB4C2D_hR48_166_c_ch_2c_c:Mo-O-Rb-S,16.0,AB4C2D_hR48_166_c_ch_2c_c:Mo-O-Rb-S +mp-1209620,Rb2Mg2(SO4)3,-6.4323420982,-2.3833293413,0.0,-0.0275395647,GGA,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Mg-O-Rb-S,76.0,A2B12C2D3_cP76_198_2a_4b_2a_b:Mg-O-Rb-S +mp-557413,Rb2Mo3SO13,-7.4794351399,-2.0614655826,0.0,-0.007798155,GGA+U,P2_1/c,A3B13C2D_mP76_14_3e_13e_2e_e:Mo-O-Rb-S,76.0,"Invalid WP multiplicities - A3B13C2D_mP76_14_12e_47e_5e_e:Mo-O-Rb-S, expected Rb5Mo12SO47 to be Rb2Mo3SO13" +mp-1193927,Rb2MoS3O,-5.5828326886,-1.2738674647,0.2076408059,0.2076408059,GGA+U,Pnma,ABC2D3_oP28_62_c_c_2c_cd:Mo-O-Rb-S,28.0,ABC2D3_oP28_62_c_c_2c_cd:Mo-O-Rb-S +mp-15905,Rb2Mo9S11,-7.6267681691,-1.0325469113,0.0265538743,0.0265538743,GGA,R-3c,A9B2C11_hR132_167_ef_c_cef:Mo-Rb-S,44.0,"Invalid WP multiplicities - A9B2C11_hR132_167_ef_c_c3e3f:Mo-Rb-S, expected Rb2Mo9S29 to be Rb2Mo9S11" +mp-771495,Na6Co2As(CO4)4,-6.7617129171,-1.8350719824,0.0645291077,0.0645291077,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-C-Co-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-C-Co-Na-O, expected Na6Co2As(CO27)4 to be Na6Co2As(CO4)4" +mp-1667345,Na3CoAsCO7,-6.5183065604,-1.9344220564,0.002425051,-0.0258048072,GGA+U,P1,ABCD3E7_aP52_1_4a_4a_4a_12a_28a:As-C-Co-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Co-Na-O +mp-773177,Na3CoAsCO7,-6.5207316113000005,-1.9368471074,0.0,-0.0282298582,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Co-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Co-Na-O +mp-776543,Na5Co2As(CO4)4,-6.8250567743,-1.7696974238,0.0767860162,0.0767860162,GGA+U,C2/c,AB4C2D5E16_mC112_15_e_2f_ac_e2f_8f:As-C-Co-Na-O,56.0,"Invalid WP multiplicities - AB4C2D5E16_mC112_15_e_5f_2ac_2e7f_31f:As-C-Co-Na-O, expected Na16Co3As(C5O31)2 to be Na5Co2As(CO4)4" +mp-779756,Na5Co2As(CO4)4,-6.8348532907,-1.7794939403,0.0669894997,0.0669894997,GGA+U,F222,AB4C2D5E16_oF224_22_ac_2k_k_efghi_8k:As-C-Co-Na-O,56.0,"Invalid WP multiplicities - AB4C2D5E16_oF224_22_ac_4k_k_2e2f2g2h2i_20k:As-C-Co-Na-O, expected Na10Co2As(CO5)8 to be Na5Co2As(CO4)4" +mp-772664,Na2CoAsCO7,-6.6689521975,-1.8132877593,0.0,-0.0065077832,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Co-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-C-Co-Na-O, expected Na2CoAsCO13 to be Na2CoAsCO7" +mp-772152,NaCoAsCO7,-6.7817833255,-1.6049244196,0.0435996617,0.0435996617,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Co-Na-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Co-Na-O, expected NaCoAsCO13 to be NaCoAsCO7" +mp-1189114,Sr2ScFePO3,-7.2828532737,-2.478497541,0.1841586408,0.1841586408,GGA+U,P4/nmm,AB3CDE2_tP16_129_a_cf_c_c_2c:Fe-O-P-Sc-Sr,16.0,AB3CDE2_tP16_129_a_cf_c_c_2c:Fe-O-P-Sc-Sr +mp-1247906,AlZn2Sb(HO)12,-4.5831173452,-0.6378658679,0.9954032825,0.9954032825,GGA,P3,AB12C12DE2_hP84_143_2ab_12d_12d_3a_a2b3c:Al-H-O-Sb-Zn,84.0,"Invalid WP multiplicities - AB12C12DE2_hP84_143_2ab_36d_36d_3a_a2b3c:Al-H-O-Sb-Zn, expected AlZn2Sb(HO)36 to be AlZn2Sb(HO)12" +mp-1214888,AlZn2Sb(HO)12,-5.5595821121,-1.6143306348,0.0189385156,0.0189385156,GGA,P-3,AB12C12DE2_hP28_147_a_2g_2g_b_d:Al-H-O-Sb-Zn,28.0,AB12C12DE2_hP28_147_a_2g_2g_b_d:Al-H-O-Sb-Zn +mp-1520467,NaMnBiWO6,-7.581044818,-1.8847155967,0.1765731023,0.1765731023,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Mn-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Mn-Na-O-W +mp-1517733,SrCaDyVO6,-7.809139174,-3.1025473229,0.1915645178,0.1915645178,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Dy-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Dy-O-Sr-V +mp-1213350,H30Ru2Pt(NCl)10,-4.9157575796,-0.6091153985000001,0.1016952378,0.1016952378,GGA,C2/m,A10B30C10DE2_mC106_12_g4i_i7j_i2j_a_i:Cl-H-N-Pt-Ru,53.0,A10B30C10DE2_mC106_12_g4i_i7j_i2j_a_i:Cl-H-N-Pt-Ru +mp-1245488,Mg4TiN4,-6.4325535844,-1.1389322604,0.0221177026,0.0221177026,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mg-N-Ti,18.0,A4B4C_aP18_2_4i_4i_i:Mg-N-Ti +mp-776435,LaTiNO2,-9.246277661,-3.0340033672,0.0459143229,0.0459143229,GGA,P1,ABC2D_aP20_1_4a_4a_8a_4a:La-N-O-Ti,20.0,ABC2D_aP20_1_4a_4a_8a_4a:La-N-O-Ti +mp-754453,LaTiNO2,-9.2224931455,-3.0102188517,0.0696988384,0.0696988384,GGA,P1,ABC2D_aP20_1_4a_4a_8a_4a:La-N-O-Ti,20.0,ABC2D_aP20_1_4a_4a_8a_4a:La-N-O-Ti +mp-775918,LaTiNO2,-9.252887756,-3.0406134622,0.0393042279,0.0393042279,GGA,P2_1,ABC2D_mP20_4_2a_2a_4a_2a:La-N-O-Ti,20.0,ABC2D_mP20_4_4a_4a_8a_4a:La-N-O-Ti +mp-1222738,LaTiNO2,-9.257821392,-3.0455470982,0.0343705919,0.0343705919,GGA,I2_12_12_1,ABC2D_oI20_24_a_b_ab_c:La-N-O-Ti,10.0,ABC2D_oI20_24_a_b_ab_c:La-N-O-Ti +mp-1178120,LaTiNO2,-9.216590544,-3.0043162502,0.0756014399,0.0756014399,GGA,Pmma,ABC2D_oP10_51_f_a_cf_e:La-N-O-Ti,10.0,ABC2D_oP10_51_f_a_cf_e:La-N-O-Ti +mp-1222753,LaTiNO2,-9.20374195,-2.9914676562,0.0884500339,0.0884500339,GGA,Imma,ABC2D_oI20_74_e_e_g_a:La-N-O-Ti,10.0,ABC2D_oI20_74_e_e_g_a:La-N-O-Ti +mp-2229191,MgTi6(N2O3)2,-9.1356189659,-2.5474222531,0.1554990896,0.1554990896,GGA,Cm,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti,17.0,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti +mp-2228941,MgTi6(N2O3)2,-9.1373899282,-2.5491932154,0.1537281272,0.1537281272,GGA,Cm,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti,17.0,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti +mp-2229049,MgTi6(N2O3)2,-9.1504541612,-2.5622574484,0.1406638943,0.1406638943,GGA,Cm,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti,17.0,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti +mp-2229139,MgTi6(N2O3)2,-9.1297016618,-2.541504949,0.1614163937,0.1614163937,GGA,Cm,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti,17.0,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti +mp-2229395,MgTi6(N2O3)2,-9.10732955,-2.5191328372,0.1837885054,0.1837885054,GGA,Cm,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti,17.0,AB4C6D6_mC34_8_a_4a_6a_6a:Mg-N-O-Ti +mp-2229673,MgTi6(N2O3)2,-9.11124679,-2.5230500772,0.1798712654,0.1798712654,GGA,C2/m,AB4C6D6_mC34_12_a_2i_3i_3i:Mg-N-O-Ti,17.0,"Invalid WP multiplicities - AB4C6D6_mC34_12_a_4i_6i_6i:Mg-N-O-Ti, expected MgTi12(N2O3)4 to be MgTi6(N2O3)2" +mp-2229721,MgTi6(N2O3)2,-9.1519178194,-2.5637211066,0.139200236,0.139200236,GGA,Amm2,AB4C6D6_oC34_38_a_2c_ab2c_ab2c:Mg-N-O-Ti,17.0,"Invalid WP multiplicities - AB4C6D6_oC34_38_a_2c_ab3c_ab2c:Mg-N-O-Ti, expected MgTi6(NO2)4 to be MgTi6(N2O3)2" +mp-1029702,MgTiN2,-8.0110932075,-1.4689027283,0.0240586375,-0.1168767891,GGA,Pnma,AB2C_oP16_62_c_2c_c:Mg-N-Ti,16.0,AB2C_oP16_62_c_2c_c:Mg-N-Ti +mp-1245745,MgTiN2,-8.035151845,-1.4929613658,0.0,-0.1409354266,GGA,R-3m,AB2C_hR12_166_a_c_b:Mg-N-Ti,4.0,AB2C_hR12_166_a_c_b:Mg-N-Ti +mp-1402513,Mg2TiN2,-6.571711637,-1.0179032437,0.1896565888,0.1896565888,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Mg-N-Ti,10.0,A2B2C_mC20_12_2i_2i_i:Mg-N-Ti +mp-1417640,Mg(TiN)2,-7.598465812,-0.7856150253,0.7339837988,0.7339837988,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Mg-N-Ti,5.0,AB2C2_tP5_115_a_g_f:Mg-N-Ti +mp-2226952,La3MgTi2N3O4,-8.4269512515,-2.5042185578,0.2706406209,0.2706406209,GGA,Imm2,A3BC3D4E2_oI26_44_ac_b_ac_2c_c:La-Mg-N-O-Ti,13.0,"Invalid WP multiplicities - A3BC3D4E2_oI26_44_ac_b_ac_3c_c:La-Mg-N-O-Ti, expected La3MgTi2(NO2)3 to be La3MgTi2N3O4" +mp-2218356,La3MgTi2N3O4,-8.2574539708,-2.3347212771,0.4401379016,0.4401379016,GGA,I-4m2,A3BC3D4E2_tI26_119_ae_c_bf_ef_e:La-Mg-N-O-Ti,13.0,A3BC3D4E2_tI26_119_ae_c_bf_ef_e:La-Mg-N-O-Ti +mp-2218692,La3MgTi2N3O4,-8.2527477146,-2.3300150209,0.4448441578,0.4448441578,GGA,I-4m2,A3BC3D4E2_tI26_119_ae_c_bf_ef_e:La-Mg-N-O-Ti,13.0,A3BC3D4E2_tI26_119_ae_c_bf_ef_e:La-Mg-N-O-Ti +mp-754845,La3Ti2N3O4,-9.08985849,-2.8069214093,0.0615429997,0.0615429997,GGA,Immm,A3B3C4D2_oI24_71_ae_bf_ef_e:La-N-O-Ti,12.0,"Invalid WP multiplicities - A3B3C4D2_oI24_71_ae_bf_e2f_e:La-N-O-Ti, expected La3Ti2(NO2)3 to be La3Ti2N3O4" +mp-754172,La3Ti2N3O4,-9.093800225,-2.8108631443,0.0576012647,0.0576012647,GGA,I-4m2,A3B3C4D2_tI24_119_ae_bf_ef_e:La-N-O-Ti,12.0,A3B3C4D2_tI24_119_ae_bf_ef_e:La-N-O-Ti +mp-1205840,Cs2TcCl6,-4.3789993322,-1.796481149,0.0,-0.1472476715,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-Cs-Tc,9.0,A6B2C_cF36_225_e_c_a:Cl-Cs-Tc +mp-556752,CsTcNClO4,-6.0118903763,-0.8584119079,0.8281988109,0.8281988109,GGA,P2_12_12_1,ABCD4E_oP32_19_a_a_a_4a_a:Cl-Cs-N-O-Tc,32.0,"Invalid WP multiplicities - ABCD4E_oP32_19_a_a_a_13a_a:Cl-Cs-N-O-Tc, expected CsTcNClO13 to be CsTcNClO4" +mp-1183855,Cs2Tc2O5,-6.8256972544,-1.5761943444000002,0.2460407213,0.2460407213,GGA,P4/mmm,A2B5C2_tP9_123_ab_ci_h:Cs-O-Tc,9.0,A2B5C2_tP9_123_ab_ci_h:Cs-O-Tc +mp-27250,CsTcO4,-7.3425352387,-2.1687358784,0.0,-0.521271259,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Cs-O-Tc,24.0,AB4C_oP24_62_c_2cd_c:Cs-O-Tc +mp-1224479,GdYScSbO7,-9.3450909345,-3.378646873,0.0,-0.0103192109,GGA,Imma,AB7CDE_oI44_74_a_3ej_b_c_d:Gd-O-Sb-Sc-Y,22.0,"Invalid WP multiplicities - AB7CDE_oI44_74_a_5e2j_b_c_d:Gd-O-Sb-Sc-Y, expected GdYScSbO13 to be GdYScSbO7" +mp-776009,Ti3CoCu2(PO4)6,-7.8862395058,-2.6030853032,0.0554902555,0.0554902555,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Cu-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Co-Cu-O-P-Ti, expected Ti3CoCu2(PO11)6 to be Ti3CoCu2(PO4)6" +mp-1521042,KTbEuGeO6,-7.594974326,-2.5644816291,0.1993963548,0.1993963548,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Ge-K-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Ge-K-O-Tb +mp-1519127,TbEu2GeO6,-8.973131405,-3.0279784227,0.1044298529,0.1044298529,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Ge-O-Tb,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Ge-O-Tb +mp-1227505,CaV4Co(CuO6)2,-7.757424356,-2.1070133645,0.0834023969,0.0834023969,GGA+U,Immm,ABC2D12E4_oI40_71_a_b_cd_lmn_k:Ca-Co-Cu-O-V,20.0,ABC2D12E4_oI40_71_a_b_cd_lmn_k:Ca-Co-Cu-O-V +mp-1101361,V4CoCuO12,-7.9504452167,-2.0113667011,0.0504959244,0.0504959244,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Co-Cu-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Co-Cu-O-V, expected V8CoCuO24 to be V4CoCuO12" +mp-756347,Y2Pt2O7,-7.8687667677,-2.4413095091,0.0,-0.1301163106,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Y,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_2a3f_d_c:O-Pt-Y, expected YPtO10 to be Y2Pt2O7" +mp-1228458,Ba6Y2Ru3PtO18,-7.4914360977,-2.578718444,0.0,-0.002261922,GGA,P3m1,A6B18CD3E2_hP30_156_2a2b2c_6d_a_a2b_2c:Ba-O-Pt-Ru-Y,30.0,A6B18CD3E2_hP30_156_2a2b2c_6d_a_a2b_2c:Ba-O-Pt-Ru-Y +mp-1097270,Y2RuPt,-5.1486812075,1.9209383142,2.7104742291,2.7104742291,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Ru-Y,4.0,ABC2_oI8_71_a_b_e:Pt-Ru-Y +mp-1187762,Y2RuPt,-7.8273089325,-0.7576894108000001,0.0318465041,0.0318465041,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Pt-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Pt-Ru-Y +mp-1228242,Ba3YRuPtO9,-7.333562223699999,-2.5276202107,0.0,-0.0246061755,GGA,P-3m1,A3B9CDE_hP30_164_c2d_3i_d_d_ab:Ba-O-Pt-Ru-Y,30.0,A3B9CDE_hP30_164_c2d_3i_d_d_ab:Ba-O-Pt-Ru-Y +mp-1520194,KSmEuSbO6,-7.6740941437,-2.6845821048,0.1068727304,0.1068727304,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-K-O-Sb-Sm,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-K-O-Sb-Sm, expected K2SmEuSbO12 to be KSmEuSbO6" +mp-1520283,KSmEuSbO6,-7.623357642,-2.6338456031,0.1576092321,0.1576092321,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Sm +mp-1522321,KSrCeSbO6,-7.1108612623,-2.856649756,0.0,-0.0172231198,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_f_cd:Ce-K-O-Sb-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_f_cd:Ce-K-O-Sb-Sr, expected K2SrCeSbO12 to be KSrCeSbO6" +mp-1522476,KSrCeSbO6,-7.095420143,-2.8412086367,0.0154411193,-0.0017820005,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Ce-K-O-Sb-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Ce-K-O-Sb-Sr +mp-985701,AgAs3H2O9,-5.9613363707,-1.4202989234,0.0,-0.0033343746,GGA,P-1,AB3C2D9_aP30_2_i_3i_2i_9i:Ag-As-H-O,30.0,"Invalid WP multiplicities - AB3C2D9_aP30_2_i_5i_3i_17i:Ag-As-H-O, expected AgAs5H3O17 to be AgAs3H2O9" +mp-1213465,CuAgAs2H3O8,-5.7049120048,-1.3047995176,0.0081109633,0.0081109633,GGA,P2_1/c,AB2CD3E8_mP60_14_e_2e_e_3e_8e:Ag-As-Cu-H-O,60.0,AB2CD3E8_mP60_14_e_2e_e_3e_8e:Ag-As-Cu-H-O +mp-1197914,CuH6C2SeCl,-4.6815248314,-0.2944937348,0.0668788676,0.0668788676,GGA,P2_1/c,A2BCD6E_mP44_14_2e_e_e_6e_e:C-Cl-Cu-H-Se,44.0,A2BCD6E_mP44_14_2e_e_e_6e_e:C-Cl-Cu-H-Se +mp-1197302,CuH18C6(SeCl2)2,-4.6924941112,-0.3400348199,0.0588926586,0.0588926586,GGA,P2_1/c,A6B4CD18E2_mP124_14_6e_4e_e_18e_2e:C-Cl-Cu-H-Se,124.0,A6B4CD18E2_mP124_14_6e_4e_e_18e_2e:C-Cl-Cu-H-Se +mp-1518644,KSrHfBiO6,-7.280525618,-2.6527553352,0.0478281002,0.0478281002,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Bi-Hf-K-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Bi-Hf-K-O-Sr +mp-754340,Li4Ti3Cr3(WO8)2,-8.5457328589,-2.6405689387,0.0408485725,0.0408485725,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-Ti-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-Ti-W, expected Li4Ti3Cr3(WO10)2 to be Li4Ti3Cr3(WO8)2" +mp-24755,Rb2NiH12(SeO7)2,-5.4256240485,-1.4030633299,0.0,-0.011522444,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-Rb-Se,62.0,"Invalid WP multiplicities - A12BC14D2E2_mP62_14_10e_a_11e_e_e:H-Ni-O-Rb-Se, expected Rb2NiH20(SeO11)2 to be Rb2NiH12(SeO7)2" +mp-1212591,Rb2Ni3Se2,-4.1206669171,-0.36448104,0.3427786224,0.3427786224,GGA,Fddd,A3B2C2_oF112_70_ch_h_h:Ni-Rb-Se,28.0,A3B2C2_oF112_70_ch_h_h:Ni-Rb-Se +mp-18691,Rb2Ni3Se4,-4.5437609678,-0.845413846,0.0,-0.0752088552,GGA,Fddd,A3B2C4_oF72_70_ae_e_h:Ni-Rb-Se,18.0,"Invalid WP multiplicities - A3B2C4_oF72_70_a2e_e_h:Ni-Rb-Se, expected Rb2Ni5Se4 to be Rb2Ni3Se4" +mp-541628,CsTeF5,-4.6932332857,-2.7509328424,0.0,-0.1750430111,GGA,Pnma,AB5C_oP28_62_c_c2d_c:Cs-F-Te,28.0,AB5C_oP28_62_c_c2d_c:Cs-F-Te +mp-572332,Cs2Sb2OF10,-5.117100161,-2.8430811203,0.0029170383,0.0029170383,GGA,P2/c,A2B10CD2_mP30_13_g_5g_e_g:Cs-F-O-Sb,30.0,"Invalid WP multiplicities - A2B10CD2_mP30_13_g_20g_e_g:Cs-F-O-Sb, expected Cs2Sb2OF40 to be Cs2Sb2OF10" +mp-561647,Cs2TeOF4,-4.8072388644,-2.616399462,0.0,-0.060973553,GGA,Cmcm,A2B4CD_oC32_63_2c_h_c_c:Cs-F-O-Te,16.0,"Invalid WP multiplicities - A2B4CD_oC32_63_3c_h_c_c:Cs-F-O-Te, expected Cs3TeOF4 to be Cs2TeOF4" +mp-680235,CsSbTe6(OF5)6,-4.8090794664,-2.2884262786000003,0.0074667627,0.0074667627,GGA,P4_2/n,AB30C6DE6_tP176_86_e_15g_3g_c_3g:Cs-F-O-Sb-Te,176.0,"Invalid WP multiplicities - AB30C6DE6_tP176_86_e_108g_23g_c_17g:Cs-F-O-Sb-Te, expected CsSbTe34(O23F108)2 to be CsSbTe6(OF5)6" +mp-667360,CsSbOF4,-5.2715805914,-2.7548651352,0.0,-0.0324437444,GGA,Cmce,AB4CD_oC168_64_def_2f5g_fg_fg:Cs-F-O-Sb,84.0,"Invalid WP multiplicities - AB4CD_oC168_64_4d3e3f_8f34g_3f4g_3f4g:Cs-F-O-Sb, expected Cs10Sb11O11F76 to be CsSbOF4" +mp-1225923,CsSbTeO6,-6.0297705228,-1.8244547702,0.0,-0.0877458037,GGA,Imma,AB6CD_oI36_74_e_2ej_a_c:Cs-O-Sb-Te,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_e_4e2j_a_c:Cs-O-Sb-Te, expected CsSbTeO12 to be CsSbTeO6" +mp-1044771,CaPr(WO3)2,-8.808519994000001,-2.5702301578,0.200836133,0.200836133,GGA+U,P2_1,AB6CD2_mP20_4_a_6a_a_2a:Ca-O-Pr-W,20.0,"Invalid WP multiplicities - AB6CD2_mP20_4_a_12a_a_3a:Ca-O-Pr-W, expected CaPr(WO4)3 to be CaPr(WO3)2" +mp-775989,CrFe3Sb2(PO4)6,-7.7584324436,-2.3550586189,0.0324539992,0.0324539992,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_2b_2a:Cr-Fe-O-P-Sb, expected CrFe3Sb2(PO11)6 to be CrFe3Sb2(PO4)6" +mp-776202,Cr2Fe3Sb(PO4)6,-7.8940344531,-2.3372148997,0.0904852349,0.0904852349,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Cr-Fe-O-P-Sb, expected Cr2Fe3Sb(P3O22)3 to be Cr2Fe3Sb(PO4)6" +mp-850419,MnV4NiO12,-8.3607334256,-2.2141756041,0.0047758878,0.0047758878,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Mn-Ni-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Mn-Ni-O-V, expected MnV8NiO24 to be MnV4NiO12" +mp-2230833,MgMnV4NiO12,-8.0456577316,-2.1383776875,0.2285876316,0.2285876316,GGA+U,P1,ABCD12E4_aP19_1_a_a_a_12a_4a:Mg-Mn-Ni-O-V,19.0,ABCD12E4_aP19_1_a_a_a_12a_4a:Mg-Mn-Ni-O-V +mp-2230447,MgMnV4NiO12,-7.9799857126,-2.0727056686,0.2942596506,0.2942596506,GGA+U,C2,ABCD12E4_mC38_5_a_b_a_6c_2c:Mg-Mn-Ni-O-V,19.0,"Invalid WP multiplicities - ABCD12E4_mC38_5_a_b_a_12c_4c:Mg-Mn-Ni-O-V, expected MgMnV8NiO24 to be MgMnV4NiO12" +mp-2231564,MgMnV4NiO12,-8.1342030368,-2.2269229928,0.1400423264,0.1400423264,GGA+U,C2,ABCD12E4_mC38_5_a_a_b_6c_2c:Mg-Mn-Ni-O-V,19.0,"Invalid WP multiplicities - ABCD12E4_mC38_5_a_a_b_12c_4c:Mg-Mn-Ni-O-V, expected MgMnV8NiO24 to be MgMnV4NiO12" +mp-1291788,Mn2V3NiO8,-8.4265551764,-1.931598379,0.2929519232,0.2658826093,GGA+U,P-1,A2BC8D3_aP14_2_i_a_4i_bcf:Mn-Ni-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_aP14_2_i_b_7i_2b2c2d:Mn-Ni-O-V, expected Mn2V6NiO14 to be Mn2V3NiO8" +mp-1280544,Mn2V3NiO8,-8.7195070996,-2.2245503022,0.0,-0.0270693139,GGA+U,C2/m,A2BC8D3_mC28_12_i_a_2ij_ce:Mn-Ni-O-V,28.0,"Invalid WP multiplicities - A2BC8D3_aP14_2_i_f_7i_2ac:Mn-Ni-O-V, expected Mn2V3NiO14 to be Mn2V3NiO8" +mp-1221946,Mn2V3NiO8,-8.6883681871,-2.1934113897,0.0311389125,0.0040695986,GGA+U,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mn-Ni-O-V,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c2h_d:Mn-Ni-O-V, expected Mn2V3NiO16 to be Mn2V3NiO8" +mp-554324,LiCa9Mn(PO4)7,-7.6893546729,-3.2214907916,0.0,-6.781200000000001e-05,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Li-Mn-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_13b_a_a_2a46b_2a5b:Ca-Li-Mn-O-P, expected LiCa39MnP17O140 to be LiCa9Mn(PO4)7" +mp-1103683,TmWClO4,-8.3439469929,-2.7626245417,0.0340787578,0.0340787578,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_i:Cl-O-Tm-W,14.0,AB4CD_aP14_2_i_4i_i_i:Cl-O-Tm-W +mp-1207940,TmWClO4,-8.3373103857,-2.7559879345,0.0407153649,0.0407153649,GGA+U,C2/m,AB4CD_mC28_12_i_2ij_i_i:Cl-O-Tm-W,14.0,AB4CD_mC28_12_i_2ij_i_i:Cl-O-Tm-W +mp-2232493,Tm2MgW2(ClO4)2,-8.0532618767,-2.7373422522,0.131352862,0.131352862,GGA+U,P1,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:Cl-Mg-O-Tm-W,15.0,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:Cl-Mg-O-Tm-W +mp-2230879,Tm6MgWO12,-8.6100545405,-3.5713701727,0.1389387536,0.1389387536,GGA+U,P1,AB12C6D_aP20_1_a_12a_6a_a:Mg-O-Tm-W,20.0,AB12C6D_aP20_1_a_12a_6a_a:Mg-O-Tm-W +mp-2230411,Tm6MgWO12,-8.6217243735,-3.5830400058,0.1272689206,0.1272689206,GGA+U,R3,AB12C6D_hR60_146_a_4b_2b_a:Mg-O-Tm-W,20.0,"Invalid WP multiplicities - AB12C6D_hR60_146_a_12b_4b_a:Mg-O-Tm-W, expected Tm12MgWO36 to be Tm6MgWO12" +mp-2230452,Tm6MgWO12,-8.6745035675,-3.6358191998,0.0744897266,0.0744897266,GGA+U,R-3,AB12C6D_hR60_148_a_2f_f_b:Mg-O-Tm-W,20.0,"Invalid WP multiplicities - AB12C6D_hR60_148_a_7f_f_b:Mg-O-Tm-W, expected Tm6MgWO42 to be Tm6MgWO12" +mp-1177450,Li4Cr(PO4)2,-7.126794514,-2.6142042713,0.0551331345,0.0551331345,GGA+U,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Cr-Li-O-P,15.0,"Invalid WP multiplicities - AB4C8D2_aP15_2_a_3i_7i_i:Cr-Li-O-P, expected Li6Cr(PO7)2 to be Li4Cr(PO4)2" +mp-25903,Li4Cr(PO4)2,-7.1381631427,-2.6255729,0.0437645058,0.0437645058,GGA+U,P2_1/c,AB4C8D2_mP60_14_e_4e_8e_2e:Cr-Li-O-P,60.0,"Invalid WP multiplicities - AB4C8D2_mP60_14_e_15e_28e_7e:Cr-Li-O-P, expected Li15Cr(PO4)7 to be Li4Cr(PO4)2" +mp-772300,Li4Cr3P4O15,-7.6603561137,-2.5661878609,0.0469520323,0.0469520323,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Cr-Li-O-P,104.0,"Invalid WP multiplicities - A3B4C15D4_oP104_33_9a_13a_57a_13a:Cr-Li-O-P, expected Li13Cr9P13O57 to be Li4Cr3P4O15" +mp-26913,LiCr4(PO4)3,-8.27775853,-2.4716942899,0.0280505141,0.021704198,GGA+U,P-1,A4BC12D3_aP40_2_4i_i_12i_3i:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_aP40_2_7i_i_23i_5i:Cr-Li-O-P, expected LiCr7P5O23 to be LiCr4(PO4)3" +mp-697664,LiCr4(PO4)3,-8.264543208,-2.4584789679,0.0412658361,0.03491952,GGA+U,C2/c,A4BC12D3_mC80_15_2ef_e_6f_ef:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_15_3e4f_e_17f_2e3f:Cr-Li-O-P, expected LiCr11(P4O17)2 to be LiCr4(PO4)3" +mp-1223201,LiCr4(PO4)3,-8.2936996244,-2.4876353843,0.0121094198,0.0057631036,GGA+U,P2_12_12_1,A4BC12D3_oP80_19_4a_a_12a_3a:Cr-Li-O-P,80.0,A4BC12D3_oP80_19_4a_a_12a_3a:Cr-Li-O-P +mp-779350,LiCr4(PO4)3,-8.2308991836,-2.4248349435,0.0749098605,0.0685635444,GGA+U,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_58_7g2h_g_21g10h_9g:Cr-Li-O-P, expected LiCr11P9O41 to be LiCr4(PO4)3" +mp-26967,LiCr4(PO4)3,-8.3058090441,-2.499744804,0.0,-0.0063463161,GGA+U,Pnma,A4BC12D3_oP80_62_2d_c_2c5d_cd:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_5d_c_6c23d_3c2d:Cr-Li-O-P, expected LiCr10P7O52 to be LiCr4(PO4)3" +mp-780337,LiCr4(PO4)3,-8.2441287836,-2.4380645435,0.0616802605,0.0553339444,GGA+U,Pnma,A4BC12D3_oP80_62_2cd_c_6c3d_3c:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_7c2d_c_21c12d_9c:Cr-Li-O-P, expected LiCr11(PO5)9 to be LiCr4(PO4)3" +mp-775232,LiCr4(PO4)3,-8.2187572915,-2.4126930514,0.0870517526,0.0807054365,GGA+U,I-42d,A4BC12D3_tI80_122_cd_a_3e_bd:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_tI80_122_2c3d_a_13e_2b2d:Cr-Li-O-P, expected LiCr10(P3O26)2 to be LiCr4(PO4)3" +mp-705154,LiCr4P7O24,-8.0633151926,-2.5873496548,0.0424683182,0.0424683182,GGA+U,P-1,A4BC24D7_aP72_2_4i_i_24i_7i:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A4BC24D7_aP72_2_8i_i_48i_13i:Cr-Li-O-P, expected LiCr8P13O48 to be LiCr4P7O24" +mp-1101527,LiCr4P7O24,-8.071525139,-2.5955596012,0.0342583718,0.0342583718,GGA+U,P-1,A4BC24D7_aP72_2_4i_i_24i_7i:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A4BC24D7_aP72_2_7i_i_47i_13i:Cr-Li-O-P, expected LiCr7P13O47 to be LiCr4P7O24" +mp-26329,Li3Cr(PO3)8,-7.4231945628,-2.495228863,0.0523010691,0.0523010691,GGA+U,C2,AB3C24D8_mC72_5_a_bc_12c_4c:Cr-Li-O-P,36.0,"Invalid WP multiplicities - AB3C24D8_mC72_5_a_bc_21c_7c:Cr-Li-O-P, expected Li3Cr(PO3)14 to be Li3Cr(PO3)8" +mp-775439,Li2Cr3P5O18,-7.8784804637,-2.5611984109,0.0976002977,0.0976002977,GGA+U,C2/c,A3B2C18D5_mC112_15_af_f_9f_e2f:Cr-Li-O-P,56.0,"Invalid WP multiplicities - A3B2C18D5_mC112_15_cf_f_31f_e3f:Cr-Li-O-P, expected Li2Cr3P7O62 to be Li2Cr3P5O18" +mp-758905,Li6Cr5(P2O7)4,-7.7127588615,-2.5737699568,0.0550421862,0.0550421862,GGA+U,P-1,A5B6C28D8_aP94_2_5i_ab5i_28i_8i:Cr-Li-O-P,94.0,"Invalid WP multiplicities - A5B6C28D8_aP94_2_8i_ab10i_54i_14i:Cr-Li-O-P, expected Li11Cr8(P7O27)2 to be Li6Cr5(P2O7)4" +mp-725039,Li5Cr2P5O18,-4.6917881443,0.140132476,2.8378509345,2.8378509345,GGA+U,P-1,A2B5C18D5_aP60_2_2i_5i_18i_5i:Cr-Li-O-P,60.0,"Invalid WP multiplicities - A2B5C18D5_aP60_2_3i_8i_34i_10i:Cr-Li-O-P, expected Li8Cr3(P5O17)2 to be Li5Cr2P5O18" +mp-766397,LiCr2(PO5)2,-7.74133798,-2.3074373178,0.0701356445,0.0701356445,GGA+U,P1,A2BC10D2_aP30_1_4a_2a_20a_4a:Cr-Li-O-P,30.0,A2BC10D2_aP30_1_4a_2a_20a_4a:Cr-Li-O-P +mp-757132,Li2CrPO5,-7.4041766947,-2.5577723318,0.0930712394,0.0930712394,GGA+U,P2_1/c,AB2C5D_mP72_14_2e_4e_10e_2e:Cr-Li-O-P,72.0,"Invalid WP multiplicities - AB2C5D_mP72_14_7e_13e_37e_7e:Cr-Li-O-P, expected Li13Cr7P7O37 to be Li2CrPO5" +mp-781009,Li3Cr(PO4)2,-7.3132839914,-2.6147175076,0.0783504241,0.0783504241,GGA+U,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:Cr-Li-O-P,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:Cr-Li-O-P +mp-766421,Li3Cr(PO4)2,-7.3137513186,-2.6151848348,0.077883097,0.077883097,GGA+U,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:Cr-Li-O-P,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:Cr-Li-O-P +mp-31746,Li3Cr(PO4)2,-7.3183181379,-2.619751654,0.0733162777,0.0733162777,GGA+U,P2_1,AB3C8D2_mP56_4_2a_6a_16a_4a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_4_3a_10a_31a_7a:Cr-Li-O-P, expected Li10Cr3P7O31 to be Li3Cr(PO4)2" +mp-757317,Li3Cr(PO4)2,-7.3149166993,-2.6163502155,0.0767177162,0.0767177162,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Cr-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_11_e_5e_7e4f_3e:Cr-Li-O-P, expected Li5Cr(PO5)3 to be Li3Cr(PO4)2" +mp-1661932,Li3Cr(PO4)2,-7.3687940643,-2.6702275805,0.0228403512,0.0228403512,GGA+U,C2/m,AB3C8D2_mC28_12_a_ci_2ij_i:Cr-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mC28_12_a_2d3i_7i2j_i:Cr-Li-O-P, expected Li8Cr(PO11)2 to be Li3Cr(PO4)2" +mp-26481,Li3Cr(PO4)2,-7.3625052982,-2.6639388144,0.0291291173,0.0291291173,GGA+U,P2_1/c,AB3C8D2_mP28_14_a_de_4e_e:Cr-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_14_a_2d2e_14e_e:Cr-Li-O-P, expected Li6Cr(PO14)2 to be Li3Cr(PO4)2" +mp-31723,Li3Cr(PO4)2,-7.3653878168,-2.666821333,0.0262465987,0.0262465987,GGA+U,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Cr-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_9e_30e_4e:Cr-Li-O-P, expected Li9Cr(P2O15)2 to be Li3Cr(PO4)2" +mp-1177734,Li3Cr(PO4)2,-7.3314918585,-2.6329253747,0.0601425571,0.0601425571,GGA+U,P2_1/c,AB3C8D2_mP112_14_2e_6e_16e_4e:Cr-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_mP112_14_5e_21e_61e_13e:Cr-Li-O-P, expected Li21Cr5P13O61 to be Li3Cr(PO4)2" +mp-26617,Li3Cr(PO4)2,-7.3608243514,-2.6622578676,0.0308100641,0.0308100641,GGA+U,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:Cr-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_c_e2f_13f_f:Cr-Li-O-P, expected Li5Cr(PO13)2 to be Li3Cr(PO4)2" +mp-773435,Li3Cr(PO4)2,-7.2961674492,-2.5976009654,0.0954669663,0.0954669663,GGA+U,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Cr-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_oP112_29_3a_11a_31a_7a:Cr-Li-O-P, expected Li11Cr3P7O31 to be Li3Cr(PO4)2" +mp-774182,Li3Cr(PO4)2,-7.3252922105,-2.6267257267,0.0663422051,0.0663422051,GGA+U,R3,AB3C8D2_hR126_146_3a_3a2b_8b_2b:Cr-Li-O-P,42.0,"Invalid WP multiplicities - AB3C8D2_hR126_146_3a_3a4b_24b_4b:Cr-Li-O-P, expected Li5Cr(PO6)4 to be Li3Cr(PO4)2" +mp-757486,Li3Cr(PO4)2,-7.3234021607,-2.6248356769,0.0682322548,0.0682322548,GGA+U,P-3,AB3C8D2_hP42_147_ad_bdg_4g_g:Cr-Li-O-P,42.0,"Invalid WP multiplicities - AB3C8D2_hP42_147_ad_b2d3g_17g_g:Cr-Li-O-P, expected Li23Cr3(PO17)6 to be Li3Cr(PO4)2" +mp-25817,LiCr2P3O11,-8.0023302841,-2.5983008047,0.0496597341,0.0496597341,GGA+U,C2,A2BC11D3_mC68_5_2c_c_ab10c_ab2c:Cr-Li-O-P,34.0,"Invalid WP multiplicities - A2BC11D3_mC68_5_4c_c_ab19c_ab4c:Cr-Li-O-P, expected LiCr4(PO4)5 to be LiCr2P3O11" +mp-779048,LiCr3(P3O10)2,-7.9695874213,-2.5601989366,0.0761061483,0.0761061483,GGA+U,Aea2,A3BC20D6_oC120_41_ab_a_10b_3b:Cr-Li-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_41_2ab_a_15b_5b:Cr-Li-O-P, expected LiCr4(PO3)10 to be LiCr3(P3O10)2" +mp-779318,LiCr2P3O13,-7.6277096884,-2.2718213425,0.097406508,0.097406508,GGA+U,P-1,A2BC13D3_aP38_2_2i_i_13i_3i:Cr-Li-O-P,38.0,"Invalid WP multiplicities - A2BC13D3_aP38_2_3i_i_25i_5i:Cr-Li-O-P, expected LiCr3(PO5)5 to be LiCr2P3O13" +mp-705400,LiCr2P3O13,-7.5489446522,-2.1930563063,0.1761715442,0.1761715442,GGA+U,P2_1/c,A2BC13D3_mP76_14_2e_e_13e_3e:Cr-Li-O-P,76.0,"Invalid WP multiplicities - A2BC13D3_mP76_14_4e_e_48e_7e:Cr-Li-O-P, expected LiCr4P7O48 to be LiCr2P3O13" +mp-780125,LiCr2P3O13,-7.6265583629,-2.270670017,0.0985578336,0.0985578336,GGA+U,C2/c,A2BC13D3_mC76_15_f_c_e6f_ef:Cr-Li-O-P,38.0,"Invalid WP multiplicities - A2BC13D3_mC76_15_f_c_2e23f_2ef:Cr-Li-O-P, expected LiCr2(PO12)4 to be LiCr2P3O13" +mp-540219,Li2Cr(PO3)8,-7.4152826251,-2.4010585587,0.0769598334,0.0769598334,GGA+U,P1,AB2C24D8_aP35_1_a_2a_24a_8a:Cr-Li-O-P,35.0,AB2C24D8_aP35_1_a_2a_24a_8a:Cr-Li-O-P +mp-26425,Li3Cr2P5O16,-7.6543904758,-2.6064521891,0.0367112031,0.0367112031,GGA+U,P2/c,A2B3C16D5_mP52_13_g_eg_8g_f2g:Cr-Li-O-P,52.0,"Invalid WP multiplicities - A2B3C16D5_mP52_13_g_2e2g_29g_2f7g:Cr-Li-O-P, expected Li3CrP8O29 to be Li3Cr2P5O16" +mp-772520,Li7Cr7(P4O17)2,-7.7679228668,-2.5460009276,0.097096488,0.097096488,GGA+U,P2_1/c,A7B7C34D8_mP112_14_a3e_b3e_17e_4e:Cr-Li-O-P,112.0,"Invalid WP multiplicities - A7B7C34D8_mP112_14_2a11e_2d8e_65e_15e:Cr-Li-O-P, expected Li9Cr12(P3O13)5 to be Li7Cr7(P4O17)2" +mp-26976,Li6Cr3P8O29,-7.496221342,-2.5576762922,0.0434595639,0.0434595639,GGA+U,P1,A3B6C29D8_aP92_1_6a_12a_58a_16a:Cr-Li-O-P,92.0,A3B6C29D8_aP92_1_6a_12a_58a_16a:Cr-Li-O-P +mp-697855,Li2Cr3(P2O7)2,-7.9381693389,-2.5606110725,0.0349916237,0.0349916237,GGA+U,P-1,A3B2C14D4_aP46_2_3i_2i_14i_4i:Cr-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_aP46_2_6i_3i_27i_7i:Cr-Li-O-P, expected Li3Cr6P7O27 to be Li2Cr3(P2O7)2" +mp-26305,Li2Cr3(P2O7)2,-7.9417736596,-2.5642153932,0.031387303,0.031387303,GGA+U,P-1,A3B2C14D4_aP23_2_ai_i_7i_2i:Cr-Li-O-P,23.0,"Invalid WP multiplicities - A3B2C14D4_aP23_2_ai_i_10i_3i:Cr-Li-O-P, expected Li2Cr3(P3O10)2 to be Li2Cr3(P2O7)2" +mp-540179,Li2Cr3(P2O7)2,-7.9426804883,-2.5651222218000003,0.0304804743,0.0304804743,GGA+U,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Cr-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_2a2e_e_25e_6e:Cr-Li-O-P, expected LiCr3P6O25 to be Li2Cr3(P2O7)2" +mp-805574,LiCrPO4,-4.3936717196,0.8580465215,3.4304738692,3.4304738692,GGA+U,P1,ABC4D_aP112_1_16a_16a_64a_16a:Cr-Li-O-P,112.0,ABC4D_aP112_1_16a_16a_64a_16a:Cr-Li-O-P +mp-1287634,LiCrPO4,-7.7374630321,-2.485744791,0.0866825567,0.0866825567,GGA+U,P1,ABC4D_aP14_1_2a_2a_8a_2a:Cr-Li-O-P,14.0,ABC4D_aP14_1_2a_2a_8a_2a:Cr-Li-O-P +mp-504313,LiCrPO4,-7.791123335,-2.5394050938,0.0330222538,0.0330222538,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Cr-Li-O-P, expected LiCrPO5 to be LiCrPO4" +mp-540462,LiCrPO4,-7.7829781236,-2.5312598824,0.0411674653,0.0411674653,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Li-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Li-O-P +mp-731702,LiCrPO4,-5.1590905932,0.092627648,2.6650549956000003,2.6650549956000003,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_4i_4i_13i_2i:Cr-Li-O-P, expected Li4Cr4P2O13 to be LiCrPO4" +mp-1373670,LiCrPO4,-6.5256938164000005,-1.2739755752,1.2984517724,1.2984517724,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_4i_4i_13i_2i:Cr-Li-O-P, expected Li4Cr4P2O13 to be LiCrPO4" +mp-757346,LiCrPO4,-7.7276883082,-2.475970067,0.0964572806,0.0964572806,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Cr-Li-O-P, expected LiCrPO5 to be LiCrPO4" +mp-757381,LiCrPO4,-7.7516927171,-2.499974476,0.0724528717,0.0724528717,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Cr-Li-O-P, expected LiCrPO5 to be LiCrPO4" +mp-1666120,LiCrPO4,-7.8186400561,-2.5669218149,0.0055055328,0.0055055328,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cr-Li-O-P,28.0,ABC4D_mP28_4_2a_2a_8a_2a:Cr-Li-O-P +mp-756532,LiCrPO4,-7.7320871114,-2.4803688702,0.0920584774,0.0920584774,GGA+U,Pm,ABC4D_mP14_6_c_ab_2a2b2c_ab:Cr-Li-O-P,14.0,ABC4D_aP14_1_2a_2a_8a_2a:Cr-Li-O-P +mp-772647,LiCrPO4,-7.7537496195,-2.5020313783,0.0703959694,0.0703959694,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Cr-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_15a_64a_14a:Cr-Li-O-P, expected Li15Cr16(P7O32)2 to be LiCrPO4" +mp-772907,LiCrPO4,-7.2966290537,-2.0449108125,0.5275165352,0.5275165352,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Cr-Li-O-P,112.0,ABC4D_mC224_9_16a_16a_64a_16a:Cr-Li-O-P +mp-757030,LiCrPO4,-7.77341238,-2.5216941388,0.0507332088,0.0507332088,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Cr-Li-O-P, expected Li3Cr3P3O31 to be LiCrPO4" +mp-757386,LiCrPO4,-7.7615844421,-2.509866201,0.0625611467,0.0625611467,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Cr-Li-O-P, expected Li3Cr3P3O23 to be LiCrPO4" +mp-583853,LiCrPO4,-7.8007490036,-2.5490307624,0.0233965853,0.0233965853,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cr-Li-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Cr-Li-O-P +mp-773035,LiCrPO4,-7.7646158968,-2.5128976556,0.0595296921,0.0595296921,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Cr-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Cr-Li-O-P, expected Li9Cr9P9O47 to be LiCrPO4" +mp-757096,LiCrPO4,-7.7791515201,-2.5274332789,0.0449940687,0.0449940687,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Cr-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Cr-Li-O-P, expected LiCrPO5 to be LiCrPO4" +mp-504307,LiCrPO4,-7.7877688429,-2.5360506017,0.036376746,0.036376746,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mC56_15_f_f_13f_f:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO4" +mp-774364,LiCrPO4,-7.7553592275,-2.5036409863,0.0687863613,0.0687863613,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Cr-Li-O-P, expected Li5Cr5P5O29 to be LiCrPO4" +mp-757270,LiCrPO4,-7.7615083279,-2.5097900867,0.062637261,0.062637261,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO4" +mp-757040,LiCrPO4,-7.7686337496,-2.5169155085,0.0555118392,0.0555118392,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO4" +mp-1176789,LiCrPO4,-7.7331768118,-2.4814585706,0.0909687771,0.0909687771,GGA+U,Ama2,ABC4D_oC28_40_a_b_2bc_b:Cr-Li-O-P,28.0,ABC4D_oC28_40_a_b_2bc_b:Cr-Li-O-P +mp-27041,LiCrPO4,-7.798333150699999,-2.5466149095,0.0258124381,0.0258124381,GGA+U,Fdd2,ABC4D_oF56_43_a_a_2b_a:Cr-Li-O-P,14.0,ABC4D_oF56_43_a_a_2b_a:Cr-Li-O-P +mp-756982,LiCrPO4,-7.7448658518,-2.4931476106,0.0792797371,0.0792797371,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO4" +mp-26579,LiCrPO4,-7.7958029882,-2.544084747,0.0283426006,0.0283426006,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_16c_c:Cr-Li-O-P, expected LiCrPO16 to be LiCrPO4" +mp-756865,LiCrPO4,-7.80193608,-2.5502178388,0.0222095088,0.0222095088,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_5c4d_c:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO4" +mp-757314,LiCrPO4,-7.7451096768,-2.4933914356,0.0790359121,0.0790359121,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cr-Li-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Cr-Li-O-P +mp-25447,LiCrPO4,-7.8191068,-2.5673885588000003,0.0050387888,0.0050387888,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_6c4d_c:Cr-Li-O-P, expected LiCrPO14 to be LiCrPO4" +mp-761401,LiCrPO4,-7.7434464686,-2.4917282274,0.0806991203,0.0806991203,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Cr-Li-O-P,14.0,ABC4D_oC28_63_c_a_fg_c:Cr-Li-O-P +mp-26317,LiCrPO4,-7.8068901004,-2.5551718592,0.0172554885,0.0172554885,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Cr-Li-O-P,28.0,ABC4D_oC28_63_a_c_fg_c:Cr-Li-O-P +mp-757342,LiCrPO4,-7.7594877138,-2.5077694726,0.064657875,0.064657875,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Cr-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_5b_5b_23b_5b:Cr-Li-O-P, expected Li5Cr5P5O23 to be LiCrPO4" +mp-26881,LiCrPO4,-7.7805567638,-2.5288385226,0.043588825,0.043588825,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Cr-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_2a4b14c_a4b:Cr-Li-O-P, expected Li3Cr3P5O48 to be LiCrPO4" +mp-757829,LiCrPO4,-7.7779596531,-2.5262414119,0.0461859357,0.0461859357,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Cr-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_21c_c:Cr-Li-O-P, expected Li5Cr3(PO21)3 to be LiCrPO4" +mp-757356,Li2CrP2O7,-7.5115475329,-2.6011876,0.0594502629,0.0464886532,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Cr-Li-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Cr-Li-O-P +mp-757335,Li2CrP2O7,-7.523205414199999,-2.6128454812,0.0477923817,0.0348307719,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Cr-Li-O-P,24.0,AB2C7D2_aP24_2_i_2i_7i_2i:Cr-Li-O-P +mp-780964,Li2CrP2O7,-1.4313790729,3.47898086,6.1396187229,6.1266571132,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Cr-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_13i_3i:Cr-Li-O-P, expected Li3CrP3O13 to be Li2CrP2O7" +mp-1366748,Li2CrP2O7,-5.56298016,-0.652620227,2.0080176358,1.9950560261,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Cr-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_13i_3i:Cr-Li-O-P, expected Li3CrP3O13 to be Li2CrP2O7" +mp-754619,Li2CrP2O7,-7.5513079,-2.640947967,0.0196898958,0.0067282861,GGA+U,P2_1,AB2C7D2_mP24_4_a_2a_7a_2a:Cr-Li-O-P,24.0,AB2C7D2_mP24_4_a_2a_7a_2a:Cr-Li-O-P +mp-26771,Li2CrP2O7,-7.542181434,-2.631821501,0.0288163619,0.0158547521,GGA+U,C2/m,AB2C7D2_mC48_12_i_gh_i3j_j:Cr-Li-O-P,48.0,AB2C7D2_oC48_63_c_e_cgh_g:Cr-Li-O-P +mp-781504,Li2CrP2O7,-7.5166589858,-2.6062990529,0.05433881,0.0413772003,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Cr-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_7e_27e_7e:Cr-Li-O-P, expected Li7CrP7O27 to be Li2CrP2O7" +mp-761069,Li2CrP2O7,-7.5400776774,-2.6297177444,0.0309201184,0.0179585087,GGA+U,P2_1/c,AB2C7D2_mP96_14_2e_4e_14e_4e:Cr-Li-O-P,96.0,"Invalid WP multiplicities - AB2C7D2_mP96_14_5e_13e_53e_13e:Cr-Li-O-P, expected Li13Cr5P13O53 to be Li2CrP2O7" +mp-26751,Li2CrP2O7,-7.5340037656,-2.6236438327,0.0369940302,0.0240324205,GGA+U,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Cr-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_5e_23e_6e:Cr-Li-O-P, expected Li5CrP6O23 to be Li2CrP2O7" +mp-689934,Li2CrP2O7,-7.5345840329,-2.6242241,0.0364137629,0.0234521532,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Cr-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_2e10f_f:Cr-Li-O-P, expected Li2Cr(PO11)2 to be Li2CrP2O7" +mp-26965,Li2CrP2O7,-7.5709977958,-2.6606378629,0.0,-0.0129616097,GGA+U,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Cr-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_2e10f_f:Cr-Li-O-P, expected Li2Cr(PO11)2 to be Li2CrP2O7" +mp-1101604,Li2CrP2O7,-7.5404496504,-2.6300897175,0.0305481454,0.0175865357,GGA+U,C2/c,AB2C7D2_mC96_15_f_2ef_7f_2f:Cr-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mC96_15_f_4e2f_25f_7f:Cr-Li-O-P, expected Li4CrP7O25 to be Li2CrP2O7" +mp-704942,Li2Cr(PO3)5,-7.601727025,-2.61312979,0.0439603023,0.0439603023,GGA+U,Pc,AB2C15D5_mP46_7_a_2a_15a_5a:Cr-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_7_a_4a_29a_10a:Cr-Li-O-P, expected Li4CrP10O29 to be Li2Cr(PO3)5" +mp-831074,Li2Cr(PO3)5,-7.547833737399999,-2.5592365024,0.0978535899,0.0978535899,GGA+U,Cc,AB2C15D5_mC92_9_a_2a_15a_5a:Cr-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mC92_9_a_2a_18a_8a:Cr-Li-O-P, expected Li2Cr(P4O9)2 to be Li2Cr(PO3)5" +mp-1101550,Li2Cr(PO3)5,-7.6125543613,-2.6239571263,0.033132966,0.033132966,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Cr-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_6e23f_e4f:Cr-Li-O-P, expected Li2CrP9O52 to be Li2Cr(PO3)5" +mp-705085,LiCrP4O13,-7.5306236016,-2.3978797274,0.1070385755,0.1070385755,GGA+U,P1,ABC13D4_aP38_1_2a_2a_26a_8a:Cr-Li-O-P,38.0,ABC13D4_aP38_1_2a_2a_26a_8a:Cr-Li-O-P +mp-1101523,LiCrP4O13,-7.54148117,-2.4087372958,0.0961810071,0.0961810071,GGA+U,P1,ABC13D4_aP38_1_2a_2a_26a_8a:Cr-Li-O-P,38.0,ABC13D4_aP38_1_2a_2a_26a_8a:Cr-Li-O-P +mp-780109,Li4Cr5(P3O11)2,-7.8636579285,-2.5337148068,0.0554678202,0.0554678202,GGA+U,P2_1/c,A5B4C22D6_mP74_14_a2e_2e_11e_3e:Cr-Li-O-P,74.0,"Invalid WP multiplicities - A5B4C22D6_mP74_14_2a4e_3e_43e_5e:Cr-Li-O-P, expected Li3Cr5P5O43 to be Li4Cr5(P3O11)2" +mp-26911,Li4CrP2O9,-7.1198414394,-2.5801200424,0.042060778,0.042060778,GGA+U,C2/m,AB4C9D2_mC64_12_e_fg2i_5i2j_2i:Cr-Li-O-P,32.0,"Invalid WP multiplicities - AB4C9D2_mC64_12_f_eg4i_9i6j_2i:Cr-Li-O-P, expected Li6CrP2O21 to be Li4CrP2O9" +mp-849954,Li4CrP2O9,-7.1063800679,-2.566658671,0.0555221494,0.0555221494,GGA+U,P2/c,AB4C9D2_mP160_13_a2g_ce9g_f22g_5g:Cr-Li-O-P,160.0,"Invalid WP multiplicities - AB4C9D2_mP160_13_a4g_2c2e36g_2f87g_17g:Cr-Li-O-P, expected Li76Cr9(P17O88)2 to be Li4CrP2O9" +mp-849763,Li4CrP2O9,-7.1018820073,-2.5621606103,0.0600202101,0.0600202101,GGA+U,Pbca,AB4C9D2_oP128_61_c_4c_9c_2c:Cr-Li-O-P,128.0,"Invalid WP multiplicities - AB4C9D2_oP128_61_c_13c_33c_5c:Cr-Li-O-P, expected Li13CrP5O33 to be Li4CrP2O9" +mp-777877,LiCr(PO3)3,-7.7462876714,-2.5804250816,0.0407989885,0.0407989885,GGA+U,P-1,ABC9D3_aP28_2_i_i_9i_3i:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Cr-Li-O-P, expected LiCrP5O17 to be LiCr(PO3)3" +mp-26063,LiCr(PO3)3,-7.7680727141,-2.6022101243,0.0190139459,0.0190139459,GGA+U,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_2i_35i_11i:Cr-Li-O-P, expected Li2Cr3P11O35 to be LiCr(PO3)3" +mp-540456,LiCr(PO3)3,-7.7332700107,-2.5674074209,0.0538166493,0.0538166493,GGA+U,Cc,ABC9D3_mC56_9_a_a_9a_3a:Cr-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_mC56_9_a_a_17a_6a:Cr-Li-O-P, expected LiCrP6O17 to be LiCr(PO3)3" +mp-774412,LiCr(PO3)3,-7.7076418064,-2.5417792166,0.0794448535,0.0794448535,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cr-Li-O-P, expected LiCr(P3O11)3 to be LiCr(PO3)3" +mp-779084,LiCr(PO3)3,-7.7113302577,-2.5454676678,0.0757564023,0.0757564023,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cr-Li-O-P, expected LiCr(P3O11)3 to be LiCr(PO3)3" +mp-780193,LiCr(PO3)3,-7.7634469232,-2.5975843334,0.0236397368,0.0236397368,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cr-Li-O-P, expected LiCr(P3O11)3 to be LiCr(PO3)3" +mp-26111,LiCr(PO3)3,-7.764011667,-2.5981490771,0.023074993,0.023074993,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_32a_8a:Cr-Li-O-P, expected LiCr(PO4)8 to be LiCr(PO3)3" +mp-779895,LiCr(PO3)3,-7.7096773279,-2.543814738,0.0774093321,0.0774093321,GGA+U,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Cr-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_a_d_2d7e_2ce:Cr-Li-O-P, expected LiCr(PO4)4 to be LiCr(PO3)3" +mp-757371,Li2Cr2P2O9,-7.7873778387,-2.5559948995,0.0791700027,0.0791700027,GGA+U,Pnma,A2B2C9D2_oP60_62_ac_2c_5c2d_2c:Cr-Li-O-P,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_2a2c_5c_19c6d_5c:Cr-Li-O-P, expected Li5Cr4P5O31 to be Li2Cr2P2O9" +mp-775294,LiCr3P4O15,-8.0846393796,-2.5750043373,0.0597619078,0.0597619078,GGA+U,Pc,A3BC15D4_mP92_7_6a_2a_30a_8a:Cr-Li-O-P,92.0,A3BC15D4_mP92_7_12a_4a_60a_16a:Cr-Li-O-P +mp-777610,Li4Cr7(PO4)6,-7.9942872112,-2.4721562876,0.0648161607,0.0648161607,GGA+U,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cr-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cr-Li-O-P +mp-778898,Li4Cr7(PO4)6,-7.9766418456,-2.454510922,0.0824615263,0.0824615263,GGA+U,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cr-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cr-Li-O-P +mp-705371,Li3Cr4P9O32,-7.7143754175,-2.4778604217,0.0714505665,0.0714505665,GGA+U,P-42_1c,A4B3C32D9_tP96_114_e_ad_8e_b2e:Cr-Li-O-P,96.0,"Invalid WP multiplicities - A4B3C32D9_tP96_114_e_2a2d_54e_2b8e:Cr-Li-O-P, expected Li3Cr2P17O108 to be Li3Cr4P9O32" +mp-758754,Li5Cr6P5O24,-7.856975467,-2.5257269481,0.0926995942,0.0926995942,GGA+U,P1,A6B5C24D5_aP40_1_6a_5a_24a_5a:Cr-Li-O-P,40.0,A6B5C24D5_aP40_1_6a_5a_24a_5a:Cr-Li-O-P +mp-729255,Li3Cr4PO19,-6.7740110615,-1.4503315615,0.2915657204,0.2915657204,GGA+U,Cm,A4B3C19D_mC54_8_2ab_ab_5a7b_a:Cr-Li-O-P,27.0,A4B3C19D_mC54_8_2ab_ab_5a7b_a:Cr-Li-O-P +mp-697692,LiCr(PO4)2,-7.5327701698,-2.3692630831,0.0833231403,0.0833231403,GGA+U,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Cr-Li-O-P,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_28e_6e:Cr-Li-O-P, expected LiCr(P3O14)2 to be LiCr(PO4)2" +mp-780490,LiCr(PO4)2,-7.5226054192,-2.3590983325,0.0934878909,0.0934878909,GGA+U,P2_12_12_1,ABC8D2_oP48_19_a_a_8a_2a:Cr-Li-O-P,48.0,"Invalid WP multiplicities - ABC8D2_oP48_19_a_a_29a_5a:Cr-Li-O-P, expected LiCrP5O29 to be LiCr(PO4)2" +mp-772960,Li4Cr2(PO4)3,-7.5085564945,-2.6256060916,0.0308342177,0.0308342177,GGA+U,P-1,A2B4C12D3_aP42_2_2i_4i_12i_3i:Cr-Li-O-P,42.0,"Invalid WP multiplicities - A2B4C12D3_aP42_2_3i_7i_23i_5i:Cr-Li-O-P, expected Li7Cr3P5O23 to be Li4Cr2(PO4)3" +mp-760100,Li4Cr2(PO4)3,-7.4973480236,-2.6143976206,0.0420426887,0.0420426887,GGA+U,P2_1/c,A2B4C12D3_mP84_14_2e_4e_12e_3e:Cr-Li-O-P,84.0,"Invalid WP multiplicities - A2B4C12D3_mP84_14_7e_13e_45e_9e:Cr-Li-O-P, expected Li13Cr7(PO5)9 to be Li4Cr2(PO4)3" +mp-759225,Li2Cr4P4O15,-7.9931230889,-2.4617800365,0.0931040772,0.0931040772,GGA+U,C2/c,A4B2C15D4_mC200_15_c3e2f_2f_15f_4f:Cr-Li-O-P,100.0,"Invalid WP multiplicities - A4B2C15D4_mC200_15_2a6e7f_5f_59f_15f:Cr-Li-O-P, expected Li5Cr11P15O59 to be Li2Cr4P4O15" +mp-766412,LiCr2(PO4)2,-7.9950628313,-2.4862064844,0.1028677666,0.1028677666,GGA+U,P1,A2BC8D2_aP39_1_6a_3a_24a_6a:Cr-Li-O-P,39.0,A2BC8D2_aP39_1_6a_3a_24a_6a:Cr-Li-O-P +mp-753873,LiCr2(PO4)2,-8.0212140019,-2.512357655,0.076716596,0.076716596,GGA+U,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Cr-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_aP26_2_3i_i_15i_3i:Cr-Li-O-P, expected LiCr3(PO5)3 to be LiCr2(PO4)2" +mp-753886,LiCr2(PO4)2,-8.0100259488,-2.5011696019,0.087904649,0.087904649,GGA+U,P-1,A2BC8D2_aP26_2_2i_i_8i_2i:Cr-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_aP26_2_3i_i_15i_3i:Cr-Li-O-P, expected LiCr3(PO5)3 to be LiCr2(PO4)2" +mp-753999,LiCr2(PO4)2,-7.98684064,-2.4779842931,0.1110899579,0.1110899579,GGA+U,Pc,A2BC8D2_mP26_7_2a_a_8a_2a:Cr-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_mP26_7_2a_a_14a_2a:Cr-Li-O-P, expected LiCr2(PO7)2 to be LiCr2(PO4)2" +mp-766419,LiCr2(PO4)2,-7.9975798358,-2.4887234888,0.1003507621,0.1003507621,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cr-Li-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_3e_e_27e_3e:Cr-Li-O-P, expected LiCr3(PO9)3 to be LiCr2(PO4)2" +mp-753918,LiCr2(PO4)2,-8.0466124962,-2.5377561492,0.0513181017,0.0513181017,GGA+U,Pmc2_1,A2BC8D2_oP26_26_c_a_2a2b2c_ab:Cr-Li-O-P,26.0,"Invalid WP multiplicities - A2BC8D2_oP26_26_c_a_4a4b4c_2a2b:Cr-Li-O-P, expected LiCr2(PO4)4 to be LiCr2(PO4)2" +mp-697796,Li2Cr5(PO4)4,-8.1424809393,-2.4801360322,0.0384523942,0.0384523942,GGA+U,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Cr-Li-O-P,27.0,"Invalid WP multiplicities - A5B2C16D4_aP27_2_a4i_i_15i_2i:Cr-Li-O-P, expected Li2Cr9(P2O15)2 to be Li2Cr5(PO4)4" +mp-1101544,Li2Cr5(PO4)4,-8.1624256078,-2.5000807007,0.0185077257,0.0185077257,GGA+U,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Cr-Li-O-P,27.0,"Invalid WP multiplicities - A5B2C16D4_aP27_2_a3i_i_15i_3i:Cr-Li-O-P, expected Li2Cr7(PO5)6 to be Li2Cr5(PO4)4" +mp-26975,Li9Cr3P8O29,-7.4557533412,-2.7026953639,0.0,-0.0014863159,GGA+U,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Cr-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_2b4d7g_4d6f38g_2d2g:Cr-Li-O-P, expected Li52Cr3(P8O127)2 to be Li9Cr3P8O29" +mp-27077,Li7Cr4P9O32,-7.6185665862,-2.6380202156,0.0503186905,0.0503186905,GGA+U,P-42_1c,A4B7C32D9_tP104_114_e_ade_8e_b2e:Cr-Li-O-P,104.0,"Invalid WP multiplicities - A4B7C32D9_tP104_114_e_2a2d3e_51e_2b13e:Cr-Li-O-P, expected Li9Cr2(P9O34)3 to be Li7Cr4P9O32" +mp-585354,LiCr2P3O10,-7.9976792938,-2.5650660163,0.0278642293,0.0278642293,GGA+U,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Cr-Li-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_7e6f_5e:Cr-Li-O-P, expected LiCr2P5O19 to be LiCr2P3O10" +mp-831192,Li3Cr2(PO4)3,-2.1923936857,2.839258094,5.5078997158,5.5039398212,GGA+U,P1,A2B3C12D3_aP40_1_4a_6a_24a_6a:Cr-Li-O-P,40.0,A2B3C12D3_aP40_1_4a_6a_24a_6a:Cr-Li-O-P +mp-780606,Li3Cr2(PO4)3,-7.7002934015,-2.6686416217,0.0,-0.0039598946,GGA+U,P1,A2B3C12D3_aP40_1_4a_6a_24a_6a:Cr-Li-O-P,40.0,A2B3C12D3_aP40_1_4a_6a_24a_6a:Cr-Li-O-P +mp-25837,Li3Cr2(PO4)3,-7.664130235,-2.6324784552,0.0361631665,0.0322032719,GGA+U,P2/c,A2B3C12D3_mP80_13_2g_abefg_12g_ef2g:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_13_3g_2a2b2e2f3g_45g_2ef6g:Cr-Li-O-P, expected Li14Cr6(PO6)15 to be Li3Cr2(PO4)3" +mp-757298,Li3Cr2(PO4)3,-7.6072473279,-2.5755955481,0.0930460736,0.0890861791,GGA+U,C2,A2B3C12D3_mC160_5_4c_ab5c_24c_6c:Cr-Li-O-P,80.0,A2B3C12D3_aP80_1_8a_12a_48a_12a:Cr-Li-O-P +mp-774463,Li3Cr2(PO4)3,-7.6579034672,-2.6262516875,0.0423899343,0.0384300397,GGA+U,C2,A2B3C12D3_mC80_5_2c_ab2c_12c_ab2c:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_5_2c_ab3c_24c_ab2c:Cr-Li-O-P, expected Li4Cr2(PO8)3 to be Li3Cr2(PO4)3" +mp-779336,Li3Cr2(PO4)3,-7.6476980999,-2.6160463201,0.0525953016,0.0486354071,GGA+U,C2,A2B3C12D3_mC160_5_2a2b2c_6c_24c_6c:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_5_2a2b4c_11c_48c_12c:Cr-Li-O-P, expected Li11Cr6(PO4)12 to be Li3Cr2(PO4)3" +mp-26605,Li3Cr2(PO4)3,-7.6670460011,-2.6353942214,0.0332474004,0.0292875058,GGA+U,C2,A2B3C12D3_mC160_5_2a2b2c_6c_24c_6c:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_5_2a2b4c_10c_46c_11c:Cr-Li-O-P, expected Li10Cr6P11O46 to be Li3Cr2(PO4)3" +mp-697753,Li3Cr2(PO4)3,-7.6761001877,-2.644448408,0.0241932138,0.0202333192,GGA+U,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_2a_5a_23a_5a:Cr-Li-O-P, expected Li5Cr2P5O23 to be Li3Cr2(PO4)3" +mp-31729,Li3Cr2(PO4)3,-7.686129076,-2.6544772962,0.0141643255,0.0102044309,GGA+U,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_2a_4a_22a_6a:Cr-Li-O-P, expected Li2CrP3O11 to be Li3Cr2(PO4)3" +mp-26489,Li3Cr2(PO4)3,-7.6567193847,-2.625067605,0.0435740168,0.0396141222,GGA+U,C2/m,A2B3C12D3_mC80_12_aci_3i_6i3j_3i:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_12_ad2i_4i_11i7j_4i:Cr-Li-O-P, expected Li4Cr3P4O25 to be Li3Cr2(PO4)3" +mp-26045,Li3Cr2(PO4)3,-7.6966683967,-2.665016617,0.0036250048,-0.0003348898,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_7e_9e_45e_11e:Cr-Li-O-P, expected Li9Cr7P11O45 to be Li3Cr2(PO4)3" +mp-26079,Li3Cr2(PO4)3,-7.695078982,-2.6634272022000003,0.0052144195,0.0012545249,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_5e_9e_45e_11e:Cr-Li-O-P, expected Li9Cr5P11O45 to be Li3Cr2(PO4)3" +mp-775597,Li3Cr2(PO4)3,-7.6956138926,-2.6639621129,0.0046795089,0.0007196143,GGA+U,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_5e_9e_45e_9e:Cr-Li-O-P, expected Li9Cr5(PO5)9 to be Li3Cr2(PO4)3" +mp-26869,Li3Cr2(PO4)3,-7.6625865803,-2.6309348005,0.0377068213,0.0337469267,GGA+U,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a4e_20f_e2f:Cr-Li-O-P, expected Li6Cr2(PO8)5 to be Li3Cr2(PO4)3" +mp-26705,Li3Cr2(PO4)3,-7.6697645197,-2.63811274,0.0305288818,0.0265689872,GGA+U,C2/c,A2B3C12D3_mC80_15_f_cf_6f_ef:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a3f_20f_2e2f:Cr-Li-O-P, expected Li4CrP3O20 to be Li3Cr2(PO4)3" +mp-1177733,Li3Cr2(PO4)3,-7.6074572605,-2.5758054808,0.092836141,0.0888762464,GGA+U,C2/c,A2B3C12D3_mC160_15_2f_ae2f_12f_3f:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_15_5f_2a2e8f_47f_9f:Cr-Li-O-P, expected Li10Cr5P9O47 to be Li3Cr2(PO4)3" +mp-26971,Li3Cr2(PO4)3,-7.7001973902,-2.6685456105,9.60113e-05,-0.0038638833,GGA+U,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_3c_f_16f_f:Cr-Li-O-P, expected LiCrPO16 to be Li3Cr2(PO4)3" +mp-26739,Li3Cr2(PO4)3,-7.6654850449,-2.6338332651,0.0348083566,0.0308484621,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cr-Li-O-P,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cr-Li-O-P +mp-778198,LiCr2P5O16,-7.8808522,-2.571329295,0.0747064579,0.0747064579,GGA+U,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Cr-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_3a_a_32a_9a:Cr-Li-O-P, expected LiCr3P9O32 to be LiCr2P5O16" +mp-26133,LiCr2P5O16,-7.9419755942,-2.6324526892,0.0135830638,0.0135830638,GGA+U,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Cr-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_4a_a_32a_9a:Cr-Li-O-P, expected LiCr4P9O32 to be LiCr2P5O16" +mp-1012789,LiCr3P3O13,-8.0924739952,-2.5217276931,0.0363211235,0.0363211235,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Cr-Li-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Cr-Li-O-P, expected LiCr5P3O34 to be LiCr3P3O13" +mp-774964,Li2CrP3O10,-7.5737807786,-2.6251752889,0.0592409017,0.0592409017,GGA+U,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Cr-Li-O-P,64.0,"Invalid WP multiplicities - AB2C10D3_mP64_14_e_3e_35e_5e:Cr-Li-O-P, expected Li3Cr(PO7)5 to be Li2CrP3O10" +mp-756990,Li2CrP3O10,-7.5609865647,-2.6123810749,0.0720351156,0.0720351156,GGA+U,C2/c,AB2C10D3_mC64_15_e_f_5f_ef:Cr-Li-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mC64_15_e_f_17f_e2f:Cr-Li-O-P, expected Li2CrP5O34 to be Li2CrP3O10" +mp-758334,Li6Cr3Sb(PO4)6,-7.4600773192,-2.5665266953,0.0638064888,0.0638064888,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-Sb,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-Sb +mp-25861,LiCr2(PO3)5,-7.8790544572,-2.5537561524,0.0492149261,0.0492149261,GGA+U,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Cr-Li-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_4a_a_30a_9a:Cr-Li-O-P, expected LiCr4(P3O10)3 to be LiCr2(PO3)5" +mp-777796,Li3Cr3(PO4)4,-7.7661029435,-2.5550975428,0.0971527731,0.0971527731,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Cr-Li-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Cr-Li-O-P +mp-26289,Li3Cr3(PO4)4,-7.837421993099999,-2.6264165924,0.0258337235,0.0258337235,GGA+U,P1,A3B3C16D4_aP78_1_9a_9a_48a_12a:Cr-Li-O-P,78.0,A3B3C16D4_aP78_1_9a_9a_48a_12a:Cr-Li-O-P +mp-780336,Li3Cr3(PO4)4,-7.7802165067,-2.5692111061,0.0830392098,0.0830392098,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Cr-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_5a_5a_32a_8a:Cr-Li-O-P, expected Li5Cr5(PO4)8 to be Li3Cr3(PO4)4" +mp-26337,Li3Cr3(PO4)4,-7.8352866571,-2.6242812565,0.0279690594,0.0279690594,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Cr-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_4_4a_5a_29a_7a:Cr-Li-O-P, expected Li5Cr4P7O29 to be Li3Cr3(PO4)4" +mp-26205,Li3Cr3(PO4)4,-7.8449356473,-2.6339302467,0.0183200692,0.0183200692,GGA+U,C2/c,A3B3C16D4_mC104_15_cf_ef_8f_2f:Cr-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_a2f_e2f_24f_3f:Cr-Li-O-P, expected Li5Cr5(PO8)6 to be Li3Cr3(PO4)4" +mp-779887,Li2Cr(PO4)2,-7.44191462,-2.5287601656,0.0574836283,0.0574836283,GGA+U,P-1,AB2C8D2_aP26_2_i_2i_8i_2i:Cr-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_aP26_2_i_3i_15i_3i:Cr-Li-O-P, expected Li3Cr(PO5)3 to be Li2Cr(PO4)2" +mp-540287,Li2Cr(PO4)2,-7.4280847765,-2.5149303222,0.0713134718,0.0713134718,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Cr-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_4_a_2a_16a_3a:Cr-Li-O-P, expected Li2CrP3O16 to be Li2Cr(PO4)2" +mp-697774,Li2Cr(PO4)2,-7.427975571,-2.5148211166000003,0.0714226774,0.0714226774,GGA+U,P2_1,AB2C8D2_mP52_4_2a_4a_16a_4a:Cr-Li-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_4_4a_7a_30a_7a:Cr-Li-O-P, expected Li7Cr4P7O30 to be Li2Cr(PO4)2" +mp-26618,Li2Cr(PO4)2,-7.4369134365,-2.5237589822,0.0624848118,0.0624848118,GGA+U,Cc,AB2C8D2_mC52_9_a_2a_8a_2a:Cr-Li-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_9_a_3a_15a_4a:Cr-Li-O-P, expected Li3CrP4O15 to be Li2Cr(PO4)2" +mp-757515,Li2Cr(PO4)2,-7.4146500887,-2.5014956343,0.0847481597,0.0847481597,GGA+U,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Cr-Li-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_3e_23e_3e:Cr-Li-O-P, expected Li3CrP3O23 to be Li2Cr(PO4)2" +mp-758988,Li2Cr(PO4)2,-7.4394599508,-2.5263054964,0.0599382976,0.0599382976,GGA+U,P-3,AB2C8D2_hP13_147_a_d_dg_d:Cr-Li-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_hP13_147_a_d_2d3g_d:Cr-Li-O-P, expected Li2Cr(PO11)2 to be Li2Cr(PO4)2" +mp-540292,LiCrPO5,-7.6660620125,-2.4524724626,0.0371719556,0.0371719556,GGA+U,P-1,ABC5D_aP32_2_2i_2i_10i_2i:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP32_2_4i_4i_17i_4i:Cr-Li-O-P, expected Li4Cr4P4O17 to be LiCrPO5" +mp-779432,LiCrPO5,-7.6258656439,-2.412276094,0.0773683242,0.0773683242,GGA+U,P2_1,ABC5D_mP64_4_4a_4a_20a_4a:Cr-Li-O-P,64.0,"Invalid WP multiplicities - ABC5D_mP64_4_6a_6a_38a_6a:Cr-Li-O-P, expected Li3Cr3P3O19 to be LiCrPO5" +mp-1244518,LiCrPO5,-7.5550093813,-2.3414198313,0.1482245868,0.1482245868,GGA+U,Pm,ABC5D_mP32_6_2a2b_2c_6a6b4c_2a2b:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_6_2a2b_3c_6a6b5c_2a2b:Cr-Li-O-P, expected Li3Cr2P2O11 to be LiCrPO5" +mp-774306,LiCrPO5,-7.6439308175,-2.4303412676,0.0593031506,0.0593031506,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_19e_e:Cr-Li-O-P, expected LiCrPO19 to be LiCrPO5" +mp-755345,LiCrPO5,-7.6123055878,-2.3987160379,0.0909283802,0.0909283802,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_19e_e:Cr-Li-O-P, expected LiCrPO19 to be LiCrPO5" +mp-757054,LiCrPO5,-7.6290718622,-2.4154823122,0.0741621059,0.0741621059,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_17e_e:Cr-Li-O-P, expected LiCrPO17 to be LiCrPO5" +mp-778122,LiCrPO5,-7.6453669594,-2.4317774094,0.0578670087,0.0578670087,GGA+U,C2/c,ABC5D_mC64_15_ac_de_5f_f:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_mC64_15_a2c_2d2e_16f_f:Cr-Li-O-P, expected Li4Cr3(PO16)2 to be LiCrPO5" +mp-777594,LiCrPO5,-7.6038378812,-2.3902483313,0.0993960868,0.0993960868,GGA+U,Pna2_1,ABC5D_oP32_33_a_a_5a_a:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_33_a_a_13a_a:Cr-Li-O-P, expected LiCrPO13 to be LiCrPO5" +mp-757330,LiCrPO5,-7.4588064125,-2.2452168626,0.2444275556,0.2444275556,GGA+U,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Cr-Li-O-P,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_5a_5a_37a_5a:Cr-Li-O-P, expected Li5Cr5P5O37 to be LiCrPO5" +mp-850227,LiCrPO5,-7.6386948019,-2.4251052519,0.0645391662,0.0645391662,GGA+U,Pnma,ABC5D_oP32_62_a_c_3cd_c:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_a_c_9c4d_c:Cr-Li-O-P, expected LiCrPO17 to be LiCrPO5" +mp-26923,LiCrPO5,-7.6463264766,-2.4327369266,0.0569074915,0.0569074915,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:Cr-Li-O-P,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_c_a_10c4d_c:Cr-Li-O-P, expected LiCrPO18 to be LiCrPO5" +mp-764927,Li4Cr(PO4)3,-7.1278147855,-2.4833692359,0.0910498055,0.0910498055,GGA+U,P1,AB4C12D3_aP60_1_3a_12a_36a_9a:Cr-Li-O-P,60.0,AB4C12D3_aP60_1_3a_12a_36a_9a:Cr-Li-O-P +mp-697813,LiCr2(PO4)3,-7.765849236,-2.387227577,0.113624043,0.113624043,GGA+U,P1,A2BC12D3_aP72_1_8a_4a_48a_12a:Cr-Li-O-P,72.0,A2BC12D3_aP72_1_8a_4a_48a_12a:Cr-Li-O-P +mp-26609,LiCr2(PO4)3,-7.83531127,-2.456689611,0.044162009,0.044162009,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_21i_5i:Cr-Li-O-P, expected LiCr3P5O21 to be LiCr2(PO4)3" +mp-939764,LiCr2(PO4)3,-4.0530307831,1.3255908759,3.8264424959,3.8264424959,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_5i:Cr-Li-O-P, expected LiCr3P5O23 to be LiCr2(PO4)3" +mp-31665,LiCr2(PO4)3,-7.8381831256,-2.4595614666,0.0412901534,0.0412901534,GGA+U,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_4i:Cr-Li-O-P, expected LiCr3P4O23 to be LiCr2(PO4)3" +mp-697757,LiCr2(PO4)3,-7.8317803414,-2.4531586824,0.0476929376,0.0476929376,GGA+U,Cc,A2BC12D3_mC72_9_2a_a_12a_3a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_9_2a_a_21a_3a:Cr-Li-O-P, expected LiCr2(PO7)3 to be LiCr2(PO4)3" +mp-1101532,LiCr2(PO4)3,-7.8466747475,-2.4680530885,0.0327985315,0.0327985315,GGA+U,Cc,A2BC12D3_mC72_9_2a_a_12a_3a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_9_2a_a_23a_6a:Cr-Li-O-P, expected LiCr2P6O23 to be LiCr2(PO4)3" +mp-31677,LiCr2(PO4)3,-7.8042643389,-2.4256426799,0.0752089401,0.0752089401,GGA+U,C2/m,A2BC12D3_mC72_12_aci_i_6i3j_3i:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_12_ad2i_i_11i12j_5i:Cr-Li-O-P, expected LiCr3(PO7)5 to be LiCr2(PO4)3" +mp-1101602,LiCr2(PO4)3,-7.8452864392,-2.4666647802,0.0341868398,0.0341868398,GGA+U,P2/c,A2BC12D3_mP72_13_2g_ab_12g_ef2g:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_13_6g_2ab_47g_2e2f7g:Cr-Li-O-P, expected Li3Cr12(P9O47)2 to be LiCr2(PO4)3" +mp-26046,LiCr2(PO4)3,-7.8367401962,-2.4581185373,0.0427330827,0.0427330827,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_5e_e_47e_7e:Cr-Li-O-P, expected LiCr5P7O47 to be LiCr2(PO4)3" +mp-777539,LiCr2(PO4)3,-7.7808188786,-2.4021972196,0.0986544003,0.0986544003,GGA+U,C2/c,A2BC12D3_mC72_15_f_e_6f_ef:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_e_19f_ef:Cr-Li-O-P, expected LiCr2P3O38 to be LiCr2(PO4)3" +mp-26870,LiCr2(PO4)3,-7.7708731417,-2.3922514827,0.1086001373,0.1086001373,GGA+U,C2/c,A2BC12D3_mC72_15_f_a_6f_ef:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_a_22f_2e2f:Cr-Li-O-P, expected LiCr2(P3O22)2 to be LiCr2(PO4)3" +mp-1247735,LiCr2(PO4)3,-7.8447680022,-2.4661463432,0.0347052767,0.0347052767,GGA+U,C2/c,A2BC12D3_mC72_15_f_c_6f_ef:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_c_21f_2e2f:Cr-Li-O-P, expected LiCr2(PO7)6 to be LiCr2(PO4)3" +mp-26080,LiCr2(PO4)3,-7.8278619546,-2.4492402956,0.0516113244,0.0516113244,GGA+U,Pna2_1,A2BC12D3_oP72_33_2a_a_12a_3a:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_oP72_33_3a_a_45a_11a:Cr-Li-O-P, expected LiCr3P11O45 to be LiCr2(PO4)3" +mp-777371,LiCr2(PO4)3,-7.7992966328,-2.4206749738,0.0801766462,0.0801766462,GGA+U,Pbcm,A2BC12D3_oP72_57_e_d_2d5e_ce:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_oP72_57_e_d_4d9e_2ce:Cr-Li-O-P, expected LiCr2(P2O11)2 to be LiCr2(PO4)3" +mp-26740,LiCr2(PO4)3,-7.7777698429,-2.3991481839,0.101703436,0.101703436,GGA+U,I4_1/acd,A2BC12D3_tI144_142_c_b_3g_ae:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_tI144_142_c_b_39g_3a4e:Cr-Li-O-P, expected LiCr2P11O156 to be LiCr2(PO4)3" +mp-25838,LiCr2(PO4)3,-7.8353244472,-2.4567027882,0.0441488317,0.0441488317,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Cr-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_14f_e:Cr-Li-O-P, expected LiCr2(PO28)3 to be LiCr2(PO4)3" +mp-777383,Li2Cr(PO3)4,-7.5467791253,-2.5739176639,0.0690697755,0.0690697755,GGA+U,Cc,AB2C12D4_mC76_9_a_2a_12a_4a:Cr-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_9_a_2a_21a_4a:Cr-Li-O-P, expected Li2CrP4O21 to be Li2Cr(PO3)4" +mp-774367,Li2Cr(PO3)4,-7.5358129813,-2.56295152,0.0800359194,0.0800359194,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Cr-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_7e_43e_15e:Cr-Li-O-P, expected Li7CrP15O43 to be Li2Cr(PO3)4" +mp-777104,Li2Cr(PO3)4,-7.5465827487,-2.5737212874,0.069266152,0.069266152,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Cr-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_3e_45e_11e:Cr-Li-O-P, expected Li3CrP11O45 to be Li2Cr(PO3)4" +mp-697850,Li2Cr(PO3)4,-7.5876471628,-2.6147857014,0.028201738,0.028201738,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Cr-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_5e_46e_14e:Cr-Li-O-P, expected Li5Cr(P7O23)2 to be Li2Cr(PO3)4" +mp-26417,Li2Cr(PO3)4,-7.58542706,-2.6125655987,0.0304218407,0.0304218407,GGA+U,C2/c,AB2C12D4_mC76_15_e_f_2e5f_2f:Cr-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_15_e_f_4e14f_4f:Cr-Li-O-P, expected Li2Cr(PO4)8 to be Li2Cr(PO3)4" +mp-26163,Li6Cr9(PO4)8,-7.9843641713,-2.5310655668,0.0149317649,0.0149317649,GGA+U,P-1,A9B6C32D8_aP55_2_bcd3i_3i_16i_4i:Cr-Li-O-P,55.0,"Invalid WP multiplicities - A9B6C32D8_aP55_2_bcd6i_4i_31i_7i:Cr-Li-O-P, expected Li8Cr15(P7O31)2 to be Li6Cr9(PO4)8" +mp-31739,Li2CrP4O13,-7.5190296755,-2.5474768517,0.0541164276,0.0541164276,GGA+U,P-1,AB2C13D4_aP40_2_i_2i_13i_4i:Cr-Li-O-P,40.0,"Invalid WP multiplicities - AB2C13D4_aP40_2_i_4i_25i_8i:Cr-Li-O-P, expected Li4CrP8O25 to be Li2CrP4O13" +mp-778669,Li2CrPO6,-7.1768745255,-2.3204417278,0.0917671573,0.0917671573,GGA+U,Pna2_1,AB2C6D_oP40_33_a_2a_6a_a:Cr-Li-O-P,40.0,"Invalid WP multiplicities - AB2C6D_oP40_33_a_5a_21a_a:Cr-Li-O-P, expected Li5CrPO21 to be Li2CrPO6" +mp-504343,Li3CrP2O9,-7.1648002647,-2.449692299,0.0708300938,0.0708300938,GGA+U,P1,AB3C9D2_aP30_1_2a_6a_18a_4a:Cr-Li-O-P,30.0,AB3C9D2_aP30_1_2a_6a_18a_4a:Cr-Li-O-P +mp-850889,Li3CrP2O9,-7.1478195315,-2.4327115659,0.0878108269,0.0878108269,GGA+U,P2_1,AB3C9D2_mP60_4_2a_6a_18a_4a:Cr-Li-O-P,60.0,"Invalid WP multiplicities - AB3C9D2_mP60_4_3a_11a_35a_7a:Cr-Li-O-P, expected Li11Cr3(PO5)7 to be Li3CrP2O9" +mp-1177807,Li3Cr4P5O24,-7.5478851712,-2.2666073912,0.0953827112,0.0953827112,GGA+U,P1,A4B3C24D5_aP72_1_8a_6a_48a_10a:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A4B3C24D5_mC144_9_8a_5a_48a_10a:Cr-Li-O-P, expected Li5Cr8(P5O24)2 to be Li3Cr4P5O24" +mp-1177709,Li3Cr4P5O24,-7.546751819,-2.2654740389,0.0965160634,0.0965160634,GGA+U,Cc,A4B3C24D5_mC144_9_4a_3a_24a_5a:Cr-Li-O-P,72.0,"Invalid WP multiplicities - A4B3C24D5_mC144_9_8a_5a_48a_10a:Cr-Li-O-P, expected Li5Cr8(P5O24)2 to be Li3Cr4P5O24" +mp-705030,LiCr(PO3)5,-7.6175389477,-2.4889565141,0.0625270444,0.0625270444,GGA+U,Pc,ABC15D5_mP44_7_a_a_15a_5a:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC15D5_mP44_7_a_a_28a_9a:Cr-Li-O-P, expected LiCrP9O28 to be LiCr(PO3)5" +mp-705315,LiCr(PO3)5,-7.6333517644,-2.5047693309,0.0467142277,0.0467142277,GGA+U,P2_1/c,ABC15D5_mP88_14_ac_e_15e_5e:Cr-Li-O-P,88.0,"Invalid WP multiplicities - ABC15D5_mP88_14_ac_e_59e_17e:Cr-Li-O-P, expected LiCrP17O59 to be LiCr(PO3)5" +mp-504358,LiCr6P7O24,-8.2276466353,-2.5318346799,0.0215679318,0.0215679318,GGA+U,P2_1/m,A6BC24D7_mP76_11_3f_e_2e11f_e3f:Cr-Li-O-P,76.0,"Invalid WP multiplicities - A6BC24D7_mP76_11_8f_e_4e39f_2e9f:Cr-Li-O-P, expected LiCr16(P10O41)2 to be LiCr6P7O24" +mp-935737,Li3Cr2P5O18,-4.4584990541,0.58220712,3.1672676104,3.1672676104,GGA+U,P-1,A2B3C18D5_aP56_2_2i_3i_18i_5i:Cr-Li-O-P,56.0,"Invalid WP multiplicities - A2B3C18D5_aP56_2_3i_4i_35i_10i:Cr-Li-O-P, expected Li4Cr3(P2O7)5 to be Li3Cr2P5O18" +mp-26684,Li3Cr2P5O18,-7.5342982648,-2.4935920907,0.0914683997,0.0914683997,GGA+U,P-1,A2B3C18D5_aP56_2_2i_3i_18i_5i:Cr-Li-O-P,56.0,"Invalid WP multiplicities - A2B3C18D5_aP56_2_3i_4i_35i_10i:Cr-Li-O-P, expected Li4Cr3(P2O7)5 to be Li3Cr2P5O18" +mp-1013922,LiCr2P2O9,-7.9875823434,-2.5188808276,0.0223107334,0.0223107334,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Cr-Li-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Cr-Li-O-P, expected LiCr2P2O11 to be LiCr2P2O9" +mp-772556,Li7Cr2P7O24,-7.3634061029,-2.6313510623000003,0.0701673294,0.0701673294,GGA+U,P2/c,A2B7C24D7_mP80_13_g_e3g_12g_f3g:Cr-Li-O-P,80.0,"Invalid WP multiplicities - A2B7C24D7_mP80_13_g_e10g_41g_f5g:Cr-Li-O-P, expected Li21Cr2P11O82 to be Li7Cr2P7O24" +mp-26435,LiCrP2O7,-7.83477933,-2.6515614819,0.0239871255,0.0041647557,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cr-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_12i_2i:Cr-Li-O-P, expected LiCr(PO6)2 to be LiCrP2O7" +mp-1176794,LiCrP2O7,-7.7822630609,-2.5990452128,0.0765033945,0.0566810247,GGA+U,P-1,ABC7D2_aP22_2_i_ab_7i_2i:Cr-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_ab_13i_3i:Cr-Li-O-P, expected LiCrP3O13 to be LiCrP2O7" +mp-19103,LiCrP2O7,-7.8587664555,-2.6755486074,0.0,-0.0198223698,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Cr-Li-O-P,22.0,ABC7D2_mP22_4_a_a_7a_2a:Cr-Li-O-P +mp-27035,LiCrP2O7,-7.8389165855,-2.6556987374,0.01984987,2.75002e-05,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Cr-Li-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Cr-Li-O-P, expected LiCrP2O13 to be LiCrP2O7" +mp-697789,LiCrP2O7,-7.6705815164,-2.4873636683,0.1881849391,0.1683625693,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Cr-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_12a_3a:Cr-Li-O-P, expected LiCr(PO4)3 to be LiCrP2O7" +mp-777379,LiCrP2O7,-7.8037626568,-2.6205448088,0.0550037986,0.0351814288,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Cr-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_13a_2a:Cr-Li-O-P, expected LiCrP2O13 to be LiCrP2O7" +mp-540482,LiCrP2O7,-7.6902552105,-2.5070373624,0.168511245,0.1486888752,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Cr-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_14a_3a:Cr-Li-O-P, expected LiCrP3O14 to be LiCrP2O7" +mp-26777,LiCrP2O7,-7.8177398439,-2.6345219958,0.0410266116,0.0212042418,GGA+U,P2_1/m,ABC7D2_mP44_11_f_f_6e4f_4e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC44_12_g_h_11i9j_6i:Cr-Li-O-P, expected LiCrP6O29 to be LiCrP2O7" +mp-1101597,LiCrP2O7,-7.8180181541,-2.634800306,0.0407483014,0.0209259316,GGA+U,P2_1/m,ABC7D2_mP44_11_f_f_6e4f_4e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_11_f_f_12e13f_7e:Cr-Li-O-P, expected Li2Cr2P7O38 to be LiCrP2O7" +mp-1568351,LiCrP2O7,-7.8200477066,-2.6368298585,0.0387187489,0.0188963791,GGA+U,C2/m,ABC7D2_mC44_12_g_h_3i2j_2i:Cr-Li-O-P,44.0,ABC7D2_mC44_12_g_h_3i2j_2i:Cr-Li-O-P +mp-777273,LiCrP2O7,-7.8040115739,-2.6207937258,0.0547548816,0.0349325118,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Cr-Li-O-P, expected LiCrP3O25 to be LiCrP2O7" +mp-705361,LiCrP2O7,-7.738376613,-2.5551587649,0.1203898425,0.1005674727,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_5e:Cr-Li-O-P, expected LiCrP5O26 to be LiCrP2O7" +mp-705291,LiCrP2O7,-7.8285393077,-2.6453214597,0.0302271477,0.0104047779,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Cr-Li-O-P, expected LiCrP4O25 to be LiCrP2O7" +mp-705001,LiCrP2O7,-7.8088219034,-2.6256040553,0.049944552,0.0301221822,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Cr-Li-O-P, expected LiCr(PO5)5 to be LiCrP2O7" +mp-831055,LiCrP2O7,-7.7812053414,-2.5979874933,0.0775611141,0.0577387443,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Cr-Li-O-P, expected LiCrP3O25 to be LiCrP2O7" +mp-26493,LiCrP2O7,-7.8317603745,-2.6485425265,0.0270060809,0.0071837111,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_6e:Cr-Li-O-P, expected LiCr(P2O9)3 to be LiCrP2O7" +mp-26853,LiCrP2O7,-7.8150590641,-2.631841216,0.0437073914,0.0238850216,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_3e:Cr-Li-O-P, expected LiCr(PO8)3 to be LiCrP2O7" +mp-26571,LiCrP2O7,-7.8243333841,-2.641115536,0.0344330714,0.0146107016,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_3e:Cr-Li-O-P, expected LiCrP3O26 to be LiCrP2O7" +mp-1101520,LiCrP2O7,-7.8460209443,-2.6628030962,0.0127455111,-0.0070768587,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_4e:Cr-Li-O-P, expected LiCr(PO6)4 to be LiCrP2O7" +mp-26139,LiCrP2O7,-7.8462484809,-2.6630306328,0.0125179745,-0.0073043953,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_6f:Cr-Li-O-P, expected LiCrP6O23 to be LiCrP2O7" +mp-697787,LiCrP2O7,-7.6442048575,-2.4609870094,0.214561598,0.1947392282,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_6f:Cr-Li-O-P, expected LiCrP6O23 to be LiCrP2O7" +mp-1176807,LiCrP2O7,-7.7560754568,-2.5728576088,0.1026909986,0.0828686288,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_5f:Cr-Li-O-P, expected LiCr(PO5)5 to be LiCrP2O7" +mp-31691,LiCrP2O7,-7.6544975239,-2.4712796758,0.2042689316,0.1844465618,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Cr-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_24f_5f:Cr-Li-O-P, expected LiCrP5O24 to be LiCrP2O7" +mp-1177176,Li5Cr(P2O7)2,-7.2296596031,-2.6419715286,0.0709483304,0.0709483304,GGA+U,P-1,AB5C14D4_aP48_2_i_5i_14i_4i:Cr-Li-O-P,48.0,"Invalid WP multiplicities - AB5C14D4_aP48_2_i_9i_27i_7i:Cr-Li-O-P, expected Li9CrP7O27 to be Li5Cr(P2O7)2" +mp-850906,Li2Cr2(PO4)3,-7.7646022597,-2.5685963267,0.0286768326,0.0286768326,GGA+U,P-1,A2B2C12D3_aP38_2_2i_2i_12i_3i:Cr-Li-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_aP38_2_3i_3i_23i_5i:Cr-Li-O-P, expected Li3Cr3P5O23 to be Li2Cr2(PO4)3" +mp-777909,Li2Cr2(PO4)3,-7.7610219766,-2.5650160435,0.0322571158,0.0322571158,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Cr-Li-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_23f_ef:Cr-Li-O-P, expected Li2Cr2P3O46 to be Li2Cr2(PO4)3" +mp-766399,Li3Cr4(PO4)6,-7.7985570249,-2.5137110089,0.0410366613,0.0410366613,GGA+U,P1,A4B3C24D6_aP37_1_4a_3a_24a_6a:Cr-Li-O-P,37.0,A4B3C24D6_aP37_1_4a_3a_24a_6a:Cr-Li-O-P +mp-867962,Li3Cr4(PO4)6,-7.7926418884,-2.5077958724,0.0469517977,0.0469517977,GGA+U,P1,A4B3C24D6_aP37_1_4a_3a_24a_6a:Cr-Li-O-P,37.0,A4B3C24D6_aP37_1_4a_3a_24a_6a:Cr-Li-O-P +mp-766571,Li3Cr4(PO4)6,-7.7988788501,-2.5140328342,0.040714836,0.040714836,GGA+U,P1,A4B3C24D6_aP74_1_8a_6a_48a_12a:Cr-Li-O-P,74.0,A4B3C24D6_aP74_1_8a_6a_48a_12a:Cr-Li-O-P +mp-1177714,Li3Cr4(PO4)6,-7.7437279435,-2.4588819276,0.0958657426,0.0958657426,GGA+U,P1,A4B3C24D6_aP74_1_8a_6a_48a_12a:Cr-Li-O-P,74.0,A4B3C24D6_aP74_1_8a_6a_48a_12a:Cr-Li-O-P +mp-766383,Li3Cr4(PO4)6,-7.7679926859,-2.48314667,0.0716010002,0.0716010002,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Cr-Li-O-P,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_3i_a2i_23i_5i:Cr-Li-O-P, expected Li5Cr6(P5O23)2 to be Li3Cr4(PO4)6" +mp-766398,Li3Cr4(PO4)6,-7.7486959962,-2.4638499803,0.0908976899,0.0908976899,GGA+U,C2,A4B3C24D6_mC74_5_2c_ac_12c_ab2c:Cr-Li-O-P,37.0,"Invalid WP multiplicities - A4B3C24D6_mC74_5_4c_ac_22c_ab4c:Cr-Li-O-P, expected Li3Cr8(P5O22)2 to be Li3Cr4(PO4)6" +mp-766400,Li3Cr4(PO4)6,-7.7576251947,-2.4727791788,0.0819684914,0.0819684914,GGA+U,I2_12_12_1,A4B3C24D6_oI148_24_2d_2ab_12d_2a2b2c:Cr-Li-O-P,74.0,"Invalid WP multiplicities - A4B3C24D6_oI148_24_6d_2a4b_48d_4a2b4c:Cr-Li-O-P, expected Li3Cr6P5O48 to be Li3Cr4(PO4)6" +mp-778498,Li2Cr3P9O28,-7.8222666412,-2.5840762931,0.0611214646,0.0611214646,GGA+U,P-1,A3B2C28D9_aP42_2_bi_i_14i_d4i:Cr-Li-O-P,42.0,"Invalid WP multiplicities - A3B2C28D9_aP42_2_bi_i_28i_d8i:Cr-Li-O-P, expected Li2Cr3P17O56 to be Li2Cr3P9O28" +mp-759430,LiCr(PO3)4,-7.7026960911,-2.559615819,0.0844646119,0.0844646119,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Cr-Li-O-P, expected LiCrP7O23 to be LiCr(PO3)4" +mp-777310,LiCr(PO3)4,-7.7043908783,-2.5613106062,0.0827698247,0.0827698247,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Cr-Li-O-P, expected LiCrP7O23 to be LiCr(PO3)4" +mp-26829,LiCr(PO3)4,-7.7482695558,-2.6051892837,0.0388911472,0.0388911472,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_22a_7a:Cr-Li-O-P, expected LiCrP7O22 to be LiCr(PO3)4" +mp-1172915,LiCr(PO3)4,-7.7340819535,-2.5910016813,0.0530787495,0.0530787495,GGA+U,P2_1,ABC12D4_mP72_4_2a_2a_24a_8a:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_4_4a_3a_48a_14a:Cr-Li-O-P, expected Li3Cr4(P7O24)2 to be LiCr(PO3)4" +mp-26355,LiCr(PO3)4,-7.7659350431,-2.6228547709,0.02122566,0.02122566,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_23a_7a:Cr-Li-O-P, expected LiCrP7O23 to be LiCr(PO3)4" +mp-26669,LiCr(PO3)4,-7.7427361331,-2.5996558609,0.04442457,0.04442457,GGA+U,C2/m,ABC12D4_mC72_12_e_i_gi5j_2j:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_e_i_h2i12j_5j:Cr-Li-O-P, expected LiCrP10O27 to be LiCr(PO3)4" +mp-779366,LiCr(PO3)4,-7.6898511564,-2.5467708843,0.0973095466,0.0973095466,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Cr-Li-O-P, expected LiCrP13O45 to be LiCr(PO3)4" +mp-777358,LiCr(PO3)4,-7.7000745356,-2.5569942634,0.0870861675,0.0870861675,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Cr-Li-O-P, expected LiCrP13O45 to be LiCr(PO3)4" +mp-775266,LiCr(PO3)4,-7.7199509007,-2.5768706286,0.0672098023,0.0672098023,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Cr-Li-O-P, expected LiCrP15O47 to be LiCr(PO3)4" +mp-779086,LiCr(PO3)4,-7.7280968025,-2.5850165304,0.0590639005,0.0590639005,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Cr-Li-O-P, expected LiCr(P5O21)2 to be LiCr(PO3)4" +mp-780439,LiCr(PO3)4,-7.7090719125,-2.5659916404,0.0780887905,0.0780887905,GGA+U,C2/c,ABC12D4_mC72_15_e_a_6f_2f:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Cr-Li-O-P, expected LiCr(P5O23)2 to be LiCr(PO3)4" +mp-26279,LiCr(PO3)4,-7.7651125828,-2.6220323106,0.0220481202,0.0220481202,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_22f_8f:Cr-Li-O-P, expected LiCr(P4O11)4 to be LiCr(PO3)4" +mp-759423,LiCr(PO3)4,-7.7533753633,-2.6102950912000003,0.0337853397,0.0337853397,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_23f_5f:Cr-Li-O-P, expected LiCr(P5O23)2 to be LiCr(PO3)4" +mp-26907,LiCr(PO3)4,-7.7457937356,-2.6027134634,0.0413669675,0.0413669675,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Cr-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_22f_4f:Cr-Li-O-P, expected LiCr(P2O11)4 to be LiCr(PO3)4" +mp-774321,LiCr(PO3)4,-7.7055474331,-2.5624671609,0.08161327,0.08161327,GGA+U,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_23c_2ab6c:Cr-Li-O-P, expected Li2Cr2P15O46 to be LiCr(PO3)4" +mp-25985,LiCr(PO3)4,-7.7857816408,-2.6427013687,0.0013790622,0.0013790622,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Cr-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_23d_6d:Cr-Li-O-P, expected LiCr(P6O23)2 to be LiCr(PO3)4" +mp-1222580,Li5Cr3(PO4)4,-7.609518255,-2.6343758925,0.002405891,0.002405891,GGA+U,P1,A3B5C16D4_aP28_1_3a_5a_16a_4a:Cr-Li-O-P,28.0,A3B5C16D4_aP28_1_3a_5a_16a_4a:Cr-Li-O-P +mp-1521711,KLaTiNbO6,-8.614321463,-3.2419879254,0.0455746426,0.0455746426,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Ti +mp-1190354,Yb2ZnTe2(SO7)2,-6.2975284319,-2.0998087344,0.0103456406,0.0103456406,GGA,P-1,A14B2C2D2E_aP21_2_7i_i_i_i_a:O-S-Te-Yb-Zn,,A14B2C2D2E_aP21_2_7i_i_i_i_a:O-S-Te-Yb-Zn +mp-1193115,Yb2ZnS4,-4.3840576507,-1.4005205596,0.365245413,0.365245413,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:S-Yb-Zn,,A4B2C_oP28_62_2cd_ac_c:S-Yb-Zn +mp-651175,CeSiNO2,-8.5633901207,-2.6457342142,0.2256173145,0.2256173145,GGA,P6_3/mcm,ABC2D_hP30_193_bd_g_k_g:Ce-N-O-Si,30.0,"Invalid WP multiplicities - ABC2D_hP30_193_2bd_g_k_g:Ce-N-O-Si, expected Ce4Si3(NO2)3 to be CeSiNO2" +mp-541712,Ce3Si6N11,-8.551643607,-1.449012616,0.0,-0.0110009782,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Ce-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Ce-N-Si +mp-1229323,Ce3SiCl5O4,-7.1391078706,-3.1195675906,0.0398377079,0.0398377079,GGA,Pna2_1,A3B5C4D_oP52_33_3a_5a_4a_a:Ce-Cl-O-Si,52.0,A3B5C4D_oP52_33_3a_5a_4a_a:Ce-Cl-O-Si +mp-29466,CeSi3N5,-8.5102942792,-1.4112367381,0.0,-0.0009625901,GGA,P2_12_12_1,AB5C3_oP36_19_a_5a_3a:Ce-N-Si,36.0,"Invalid WP multiplicities - AB5C3_oP36_19_a_16a_10a:Ce-N-Si, expected Ce(Si5N8)2 to be CeSi3N5" +mp-677082,Ce4Si4N7ClO3,-8.4903943088,-2.1494629399,0.008503763,0.008503763,GGA,P2_12_12_1,A4BC7D3E4_oP76_19_4a_a_7a_3a_4a:Ce-Cl-N-O-Si,76.0,"Invalid WP multiplicities - A4BC7D3E4_oP76_19_13a_a_25a_9a_13a:Ce-Cl-N-O-Si, expected Ce13Si13N25ClO9 to be Ce4Si4N7ClO3" +mp-686294,Ce4Si4N7ClO3,-8.4402953854,-2.0993640165,0.0586026864,0.0586026864,GGA,P2_12_12_1,A4BC7D3E4_oP76_19_4a_a_7a_3a_4a:Ce-Cl-N-O-Si,76.0,"Invalid WP multiplicities - A4BC7D3E4_oP76_19_13a_a_25a_9a_13a:Ce-Cl-N-O-Si, expected Ce13Si13N25ClO9 to be Ce4Si4N7ClO3" +mp-1213942,CeN(ClO)4,-5.2562917225,-1.111243166,0.2846337666,0.2846337666,GGA,P2_12_12,AB4CD4_oP20_18_a_2c_b_2c:Ce-Cl-N-O,20.0,AB4CD4_oP20_18_a_2c_b_2c:Ce-Cl-N-O +mp-1228410,Ce4Si4N6O5,-8.7301071989,-2.4045260491,0.0257583182,0.0257583182,GGA,P2_13,A4B6C5D4_cP76_198_ab_2b_2ab_ab:Ce-N-O-Si,76.0,A4B6C5D4_cP76_198_ab_2b_2ab_ab:Ce-N-O-Si +mp-571312,Ce5(SiN3)3,-8.5991497493,-1.4832759734,0.0604314563,0.0604314563,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:Ce-N-Si,68.0,"Invalid WP multiplicities - A5B9C3_oC136_64_4d8f5g_11f21g_2e5f:Ce-N-Si, expected Ce22Si7N53 to be Ce5(SiN3)3" +mp-761187,Li4Cu5(P3O11)2,-6.7553126558,-2.1758885611,0.0709139088,0.0709139088,GGA,P2_1/c,A5B4C22D6_mP74_14_a2e_2e_11e_3e:Cu-Li-O-P,74.0,"Invalid WP multiplicities - A5B4C22D6_mP74_14_2a4e_3e_43e_5e:Cu-Li-O-P, expected Li3Cu5P5O43 to be Li4Cu5(P3O11)2" +mp-760683,Li4Cu(PO3)6,-7.1079359666,-2.5129321742,0.0462893627,0.0462893627,GGA,P1,AB4C18D6_aP29_1_a_4a_18a_6a:Cu-Li-O-P,29.0,AB4C18D6_aP29_1_a_4a_18a_6a:Cu-Li-O-P +mp-759341,Li4Cu(PO3)6,-7.0832862314,-2.488282439,0.0709390978,0.0709390978,GGA,C2/c,AB4C18D6_mC116_15_e_2f_9f_3f:Cu-Li-O-P,58.0,"Invalid WP multiplicities - AB4C18D6_mC116_15_e_3f_33f_5f:Cu-Li-O-P, expected Li6Cu(P5O33)2 to be Li4Cu(PO3)6" +mp-755868,LiCu5(PO4)2,-6.1804439344,-1.6301270019,0.1122476025,0.1122476025,GGA,P1,A5BC8D2_aP16_1_5a_a_8a_2a:Cu-Li-O-P,16.0,A5BC8D2_aP16_1_5a_a_8a_2a:Cu-Li-O-P +mp-773007,LiCu5(PO4)2,-6.1738484756,-1.6235315431,0.1188430612,0.1188430612,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-778739,LiCu5(PO4)2,-6.1753747522,-1.6250578197,0.1173167847,0.1173167847,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-779241,LiCu5(PO4)2,-6.1602980462,-1.6099811137,0.1323934906,0.1323934906,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-779276,LiCu5(PO4)2,-6.1892028241,-1.6388858916,0.1034887128,0.1034887128,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-779579,LiCu5(PO4)2,-6.1640567197,-1.6137397872,0.1286348172,0.1286348172,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-779641,LiCu5(PO4)2,-6.1864688222,-1.6361518897,0.1062227147,0.1062227147,GGA,P1,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P,32.0,A5BC8D2_aP32_1_10a_2a_16a_4a:Cu-Li-O-P +mp-778661,LiCu5(PO4)2,-6.1838229728,-1.6335060403,0.1088685641,0.1088685641,GGA,Pm,A5BC8D2_mP32_6_ab4c_ab_4a4b4c_2a2b:Cu-Li-O-P,32.0,"Invalid WP multiplicities - A5BC8D2_mP32_6_ab8c_ab_4a4b8c_2a2b:Cu-Li-O-P, expected LiCu9(PO6)2 to be LiCu5(PO4)2" +mp-1176754,LiCu5(PO4)2,-6.1903693456,-1.6400524131,0.1023221912,0.1023221912,GGA,Pm,A5BC8D2_mP16_6_a2c_b_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A5BC8D2_mP16_6_a4c_b_2a2b4c_ab:Cu-Li-O-P, expected LiCu9(PO6)2 to be LiCu5(PO4)2" +mp-780731,Li2Cu(PO3)3,-6.9461387645,-2.3676615429,0.1062526094,0.1062526094,GGA,P2_12_12_1,AB2C9D3_oP60_19_a_2a_9a_3a:Cu-Li-O-P,60.0,"Invalid WP multiplicities - AB2C9D3_oP60_19_a_5a_33a_9a:Cu-Li-O-P, expected Li5Cu(P3O11)3 to be Li2Cu(PO3)3" +mp-849327,Li2Cu(PO3)3,-6.9643059212,-2.3858286995,0.0880854528,0.0880854528,GGA,P2_12_12_1,AB2C9D3_oP60_19_a_2a_9a_3a:Cu-Li-O-P,60.0,"Invalid WP multiplicities - AB2C9D3_oP60_19_a_5a_33a_9a:Cu-Li-O-P, expected Li5Cu(P3O11)3 to be Li2Cu(PO3)3" +mp-26531,LiCu2P3O10,-6.9517800847,-2.2133969072,0.0321317492,0.0321317492,GGA,P2_1/m,A2BC10D3_mP32_11_f_a_4e3f_3e:Cu-Li-O-P,32.0,"Invalid WP multiplicities - A2BC10D3_mP32_11_f_a_6e12f_6e:Cu-Li-O-P, expected LiCu2(PO5)6 to be LiCu2P3O10" +mp-760664,LiCu(PO3)2,-6.8985512675,-2.2470645857,0.111844206,0.111844206,GGA,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Cu-Li-O-P,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Cu-Li-O-P +mp-759441,LiCu(PO3)2,-6.9234823691,-2.2719956874,0.0869131043,0.0869131043,GGA,P2_1/c,ABC6D2_mP80_14_2e_2e_12e_4e:Cu-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_mP80_14_5e_5e_45e_13e:Cu-Li-O-P, expected Li5Cu5P13O45 to be LiCu(PO3)2" +mp-759874,LiCu(PO3)2,-6.9221566554,-2.2706699736,0.0882388181,0.0882388181,GGA,P2_1/c,ABC6D2_mP80_14_2e_2e_12e_4e:Cu-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_mP80_14_5e_5e_45e_13e:Cu-Li-O-P, expected Li5Cu5P13O45 to be LiCu(PO3)2" +mp-780769,LiCu(PO3)2,-6.9032925472,-2.2518058655,0.1071029262,0.1071029262,GGA,P2_1/c,ABC6D2_mP80_14_2e_2e_12e_4e:Cu-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_mP80_14_6e_4e_45e_13e:Cu-Li-O-P, expected Li4Cu6P13O45 to be LiCu(PO3)2" +mp-758837,LiCu(PO3)2,-6.9248539518,-2.27336727,0.0855415217,0.0855415217,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Cu-Li-O-P,40.0,"Invalid WP multiplicities - ABC6D2_mP40_14_e_e_21e_5e:Cu-Li-O-P, expected LiCuP5O21 to be LiCu(PO3)2" +mp-25975,LiCu(PO3)2,-6.9655380755,-2.3140513937,0.044857398,0.044857398,GGA,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cu-Li-O-P,20.0,"Invalid WP multiplicities - ABC6D2_mC40_15_e_e_8f_f:Cu-Li-O-P, expected LiCu(PO8)2 to be LiCu(PO3)2" +mp-752930,LiCu(PO3)2,-6.927607797,-2.2761211153,0.0827876765,0.0827876765,GGA,C222,ABC6D2_oC20_21_a_b_fl_k:Cu-Li-O-P,10.0,"Invalid WP multiplicities - ABC6D2_oC20_21_a_b_f2l_k:Cu-Li-O-P, expected LiCu(PO5)2 to be LiCu(PO3)2" +mp-759704,Li2Cu2P4O13,-6.9691843124,-2.3036403911,0.0548804712,0.0548804712,GGA,P2_1/m,A2B2C13D4_mP42_11_f_f_5e4f_4e:Cu-Li-O-P,42.0,"Invalid WP multiplicities - A2B2C13D4_mP42_11_f_f_10e7f_7e:Cu-Li-O-P, expected Li2Cu2P7O24 to be Li2Cu2P4O13" +mp-754308,Li3Cu3(PO4)2,-6.3449590956,-2.0684276385,0.0900553152,0.0900553152,GGA,P1,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P,16.0,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P +mp-755049,Li3Cu3(PO4)2,-6.3393262006,-2.0627947435,0.0956882102,0.0956882102,GGA,P1,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P,16.0,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P +mp-858582,Li3Cu3(PO4)2,-5.9005152444,-1.6239837873,0.5344991664000001,0.5344991664000001,GGA,P1,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P,16.0,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P +mp-755447,Li3Cu3(PO4)2,-6.34290401,-2.0663725529,0.0921104008,0.0921104008,GGA,P1,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P,16.0,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P +mp-773135,Li3Cu3(PO4)2,-6.3391891353,-2.0626576782,0.0958252755,0.0958252755,GGA,P1,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P,32.0,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P +mp-778772,Li3Cu3(PO4)2,-6.3392216972,-2.0626902401,0.0957927136,0.0957927136,GGA,P1,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P,32.0,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P +mp-761098,Li3Cu3(PO4)2,-6.3537068062,-2.0771753492,0.0813076045,0.0813076045,GGA,P1,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P,16.0,A3B3C8D2_aP16_1_3a_3a_8a_2a:Cu-Li-O-P +mp-780237,Li3Cu3(PO4)2,-6.3461238969,-2.0695924398,0.0888905139,0.0888905139,GGA,P1,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P,32.0,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P +mp-780321,Li3Cu3(PO4)2,-6.3388462356,-2.0623147785,0.0961681752,0.0961681752,GGA,P1,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P,32.0,A3B3C8D2_aP32_1_6a_6a_16a_4a:Cu-Li-O-P +mp-756007,Li3Cu3(PO4)2,-6.3411423362,-2.0646108792,0.0938720745,0.0938720745,GGA,Pm,A3B3C8D2_mP16_6_ac_bc_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A3B3C8D2_mP16_6_a2c_bc_2a2b4c_ab:Cu-Li-O-P, expected Li3Cu5(PO6)2 to be Li3Cu3(PO4)2" +mp-779257,Li3Cu3(PO4)2,-6.3435677456,-2.0670362885,0.0914466652,0.0914466652,GGA,Pm,A3B3C8D2_mP16_6_ac_bc_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A3B3C8D2_mP16_6_ac_b2c_2a2b4c_ab:Cu-Li-O-P, expected Li5Cu3(PO6)2 to be Li3Cu3(PO4)2" +mp-759265,Li2Cu5(PO4)4,-6.6144212348,-1.9805653648,0.0784871881,0.0784871881,GGA,P-1,A5B2C16D4_aP27_2_a2i_i_8i_2i:Cu-Li-O-P,27.0,"Invalid WP multiplicities - A5B2C16D4_aP27_2_a3i_i_15i_3i:Cu-Li-O-P, expected Li2Cu7(PO5)6 to be Li2Cu5(PO4)4" +mp-761254,Li5CuP3O11,-6.7218233427000005,-2.5069581254,0.065902089,0.065902089,GGA,P-1,AB5C11D3_aP40_2_bd_5i_11i_3i:Cu-Li-O-P,40.0,"Invalid WP multiplicities - AB5C11D3_aP40_2_bd_9i_21i_5i:Cu-Li-O-P, expected Li9CuP5O21 to be Li5CuP3O11" +mp-758486,Li2CuP2O7,-6.8106095517,-2.3630696854,0.0889415342,0.053889516,GGA,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Cu-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_13i_3i:Cu-Li-O-P, expected Li3CuP3O13 to be Li2CuP2O7" +mp-1370462,Li2CuP2O7,-5.152673195,-0.7051333287,1.7468778908,1.7118258727,GGA,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Cu-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_3i_13i_3i:Cu-Li-O-P, expected Li3CuP3O13 to be Li2CuP2O7" +mp-25943,Li2CuP2O7,-6.8607521221,-2.4132122558,0.0387989637,0.0037469456,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Cu-Li-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_5e_23e_6e:Cu-Li-O-P, expected Li5CuP6O23 to be Li2CuP2O7" +mp-6412,Li2CuP2O7,-6.8995510858,-2.4520112195,0.0,-0.0350520181,GGA,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Cu-Li-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_e7f_f:Cu-Li-O-P, expected Li2CuP2O15 to be Li2CuP2O7" +mp-26795,LiCu5P3O13,-6.5452180927,-1.865590048,0.035581893,0.035581893,GGA,P-1,A5BC13D3_aP44_2_5i_i_13i_3i:Cu-Li-O-P,44.0,"Invalid WP multiplicities - A5BC13D3_aP44_2_8i_i_25i_5i:Cu-Li-O-P, expected LiCu8(PO5)5 to be LiCu5P3O13" +mp-758797,LiCu(PO3)3,-7.1235942946,-2.3544346191,0.0497476286,0.0473102267,GGA,P-1,ABC9D3_aP28_2_i_i_9i_3i:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_aP28_2_i_i_17i_5i:Cu-Li-O-P, expected LiCuP5O17 to be LiCu(PO3)3" +mp-558431,LiCu(PO3)3,-7.1713160636,-2.402156388,0.0020258596,-0.0004115422,GGA,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_2i_3i_36i_11i:Cu-Li-O-P, expected Li3Cu2P11O36 to be LiCu(PO3)3" +mp-761190,LiCu(PO3)3,-7.1159179243,-2.3467582487,0.0574239989,0.0549865971,GGA,Cc,ABC9D3_mC56_9_a_a_9a_3a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC9D3_mC56_9_a_a_17a_5a:Cu-Li-O-P, expected LiCuP5O17 to be LiCu(PO3)3" +mp-758147,LiCu(PO3)3,-7.1096062455,-2.34044657,0.0637356777,0.0612982758,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cu-Li-O-P, expected LiCu(P3O11)3 to be LiCu(PO3)3" +mp-759432,LiCu(PO3)3,-7.1053568132,-2.3361971376,0.06798511,0.0655477082,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cu-Li-O-P, expected LiCu(P3O11)3 to be LiCu(PO3)3" +mp-759435,LiCu(PO3)3,-7.1643737591,-2.3952140835,0.0089681641,0.0065307623,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cu-Li-O-P, expected LiCu(P3O11)3 to be LiCu(PO3)3" +mp-12185,LiCu(PO3)3,-7.1733419232,-2.4041822476,0.0,-0.0024374018,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cu-Li-O-P,56.0,ABC9D3_oP56_19_a_a_9a_3a:Cu-Li-O-P +mp-759767,LiCu(PO3)3,-7.1238901423,-2.3547304668,0.0494517809,0.047014379,GGA,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_57_a_d_2d7e_2ce:Cu-Li-O-P, expected LiCu(PO4)4 to be LiCu(PO3)3" +mp-761755,LiCu(PO3)3,-7.0936029529,-2.3244432773,0.0797389704,0.0773015685,GGA,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_62_c_c_10c11d_2c3d:Cu-Li-O-P, expected LiCu(PO4)8 to be LiCu(PO3)3" +mp-773136,LiCu2PO4,-6.2668361641,-1.8534119693,0.1065207334,0.1065207334,GGA,P1,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P,32.0,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P +mp-779588,LiCu2PO4,-6.2698049572,-1.8563807624,0.1035519403,0.1035519403,GGA,P1,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P,32.0,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P +mp-755366,LiCu2PO4,-6.2544979044,-1.8410737096,0.1188589931,0.1188589931,GGA,P1,A2BC4D_aP16_1_4a_2a_8a_2a:Cu-Li-O-P,16.0,A2BC4D_aP16_1_4a_2a_8a_2a:Cu-Li-O-P +mp-1176760,LiCu2PO4,-6.27032115,-1.8568969552,0.1030357475,0.1030357475,GGA,P1,A2BC4D_aP16_1_4a_2a_8a_2a:Cu-Li-O-P,16.0,A2BC4D_aP16_1_4a_2a_8a_2a:Cu-Li-O-P +mp-1176764,LiCu2PO4,-6.2669466828,-1.853522488,0.1064102147,0.1064102147,GGA,P1,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P,32.0,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P +mp-1176768,LiCu2PO4,-6.2724039244,-1.8589797296,0.1009529731,0.1009529731,GGA,P1,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P,32.0,A2BC4D_aP32_1_8a_4a_16a_4a:Cu-Li-O-P +mp-780703,LiCu2PO4,-6.2558593869,-1.8424351921,0.1174975106,0.1174975106,GGA,P2_1,A2BC4D_mP16_4_2a_a_4a_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A2BC4D_mP16_4_2a_a_6a_a:Cu-Li-O-P, expected LiCu2PO6 to be LiCu2PO4" +mp-1176750,LiCu2PO4,-6.2572185275,-1.8437943327,0.11613837,0.11613837,GGA,Pm,A2BC4D_mP16_6_abc_c_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A2BC4D_mP16_6_ab2c_c_2a2b4c_ab:Cu-Li-O-P, expected LiCu3PO6 to be LiCu2PO4" +mp-758179,LiCu2PO4,-6.2567644581,-1.8433402633,0.1165924394,0.1165924394,GGA,Pc,A2BC4D_mP16_7_2a_a_4a_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A2BC4D_mP16_7_4a_a_8a_a:Cu-Li-O-P, expected LiCu4PO8 to be LiCu2PO4" +mp-760676,LiCu2PO4,-6.2506622269,-1.8372380321,0.1226946706,0.1226946706,GGA,Pmn2_1,A2BC4D_oP16_31_b_a_2ab_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - A2BC4D_oP16_31_b_a_4a2b_a:Cu-Li-O-P, expected LiCu2PO8 to be LiCu2PO4" +mp-762049,LiCu2PO4,-6.2534392616,-1.8400150668,0.1199176359,0.1199176359,GGA,Pnma,A2BC4D_oP32_62_d_c_2cd_c:Cu-Li-O-P,32.0,"Invalid WP multiplicities - A2BC4D_oP32_62_d_c_7c3d_c:Cu-Li-O-P, expected LiCu2PO13 to be LiCu2PO4" +mp-759287,LiCu2PO4,-6.2566517775,-1.8432275827,0.11670512,0.11670512,GGA,I-4,A2BC4D_tI16_82_ac_b_g_d:Cu-Li-O-P,8.0,A2BC4D_tI16_82_ac_b_g_d:Cu-Li-O-P +mp-758070,LiCu2PO4,-6.2468207112,-1.8333965165,0.1265361863,0.1265361863,GGA,I-42m,A2BC4D_tI16_121_d_a_i_b:Cu-Li-O-P,8.0,A2BC4D_tI16_121_d_a_i_b:Cu-Li-O-P +mp-758891,Li3CuPO5,-6.296127629,-2.2988554957,0.0931376875,0.0931376875,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:Cu-Li-O-P,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:Cu-Li-O-P, expected Li6CuPO10 to be Li3CuPO5" +mp-672966,LiCu(PO3)4,-7.1420555883,-2.3075220273,0.0391315342,0.0391315342,GGA,P1,ABC12D4_aP18_1_a_a_12a_4a:Cu-Li-O-P,18.0,ABC12D4_aP18_1_a_a_12a_4a:Cu-Li-O-P +mp-757306,LiCu(PO3)4,-7.165224785,-2.330691224,0.0159623376,0.0159623376,GGA,Cc,ABC12D4_mC72_9_a_a_12a_4a:Cu-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_23a_8a:Cu-Li-O-P, expected LiCuP8O23 to be LiCu(PO3)4" +mp-26262,LiCu(PO3)4,-7.1784377942,-2.3439042331,0.0027493284,0.0027493284,GGA,Cc,ABC12D4_mC72_9_a_a_12a_4a:Cu-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_22a_7a:Cu-Li-O-P, expected LiCuP7O22 to be LiCu(PO3)4" +mp-672984,LiCu(PO3)4,-7.1330561061,-2.2985225451,0.0481310165,0.0481310165,GGA,P2_12_12_1,ABC12D4_oP72_19_a_a_12a_4a:Cu-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_19_a_a_47a_14a:Cu-Li-O-P, expected LiCuP14O47 to be LiCu(PO3)4" +mp-760165,LiCu2(PO3)5,-7.1303051663,-2.2879495398,0.0495876315,0.0495876315,GGA,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Cu-Li-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_4a_a_30a_10a:Cu-Li-O-P, expected LiCu4(PO3)10 to be LiCu2(PO3)5" +mp-761936,Li4Cu7(PO4)6,-6.5948175461,-2.0209033445,0.098740942,0.098740942,GGA,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cu-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cu-Li-O-P +mp-762050,Li4Cu7(PO4)6,-6.5991425739,-2.0252283723,0.0944159141,0.0944159141,GGA,Cm,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cu-Li-O-P,41.0,A7B4C24D6_mC82_8_a3b_2ab_4a10b_2a2b:Cu-Li-O-P +mp-762224,Li4Cu3Sb(PO4)4,-6.6860392468,-2.2266627424,0.0720261278,0.0720261278,GGA,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Sb,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Sb +mp-759938,Li2Cu3(P2O7)2,-6.855477733,-2.202333484,0.0477584087,0.0477584087,GGA,P-1,A3B2C14D4_aP46_2_3i_2i_14i_4i:Cu-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_aP46_2_5i_3i_27i_7i:Cu-Li-O-P, expected Li3Cu5P7O27 to be Li2Cu3(P2O7)2" +mp-26823,Li2Cu3(P2O7)2,-6.8665756589,-2.2134314099,0.0366604828,0.0366604828,GGA,P2_1/c,A3B2C14D4_mP46_14_ae_e_7e_2e:Cu-Li-O-P,46.0,"Invalid WP multiplicities - A3B2C14D4_mP46_14_ae_e_25e_5e:Cu-Li-O-P, expected Li2Cu3(PO5)10 to be Li2Cu3(P2O7)2" +mp-780764,LiCuP4O11,-7.1386852316,-2.3107490324,0.0839269141,0.0839269141,GGA,P1,ABC11D4_aP68_1_4a_4a_44a_16a:Cu-Li-O-P,68.0,ABC11D4_aP68_1_4a_4a_44a_16a:Cu-Li-O-P +mp-781753,Li3CuP2O7,-6.6579498831,-2.4056882475,0.0982800821,0.0982800821,GGA,P-1,AB3C7D2_aP26_2_ab_3i_7i_2i:Cu-Li-O-P,26.0,"Invalid WP multiplicities - AB3C7D2_aP26_2_ab_5i_13i_3i:Cu-Li-O-P, expected Li5CuP3O13 to be Li3CuP2O7" +mp-761248,LiCu3P3O11,-6.7566525744,-2.0422066733,0.0698915392,0.0698915392,GGA,P2_1/c,A3BC11D3_mP72_14_3e_e_11e_3e:Cu-Li-O-P,72.0,"Invalid WP multiplicities - A3BC11D3_mP72_14_9e_e_43e_11e:Cu-Li-O-P, expected LiCu9P11O43 to be LiCu3P3O11" +mp-776035,Li9Cu3P8O29,-6.8254061551,-2.4123792472,0.0290809414,0.0290809414,GGA,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Cu-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_b2d3g_2d6f45g_2d3g:Cu-Li-O-P, expected Li23Cu3(P11O146)2 to be Li9Cu3P8O29" +mp-772561,Li2CuSb(PO4)2,-6.7069520068,-2.2465114106,0.1103400638,0.1103400638,GGA,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Cu-Li-O-P-Sb,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_11_e_ab_7e4f_3e_e:Cu-Li-O-P-Sb, expected Li2CuSb(PO5)3 to be Li2CuSb(PO4)2" +mp-673145,LiCu4(PO4)3,-6.641815334,-1.9465192539,0.0504267723,0.0504267723,GGA,P-1,A4BC12D3_aP40_2_4i_i_12i_3i:Cu-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_aP40_2_7i_i_22i_5i:Cu-Li-O-P, expected LiCu7P5O22 to be LiCu4(PO4)3" +mp-762116,LiCu4(PO4)3,-6.623692413,-1.9283963329,0.0685496933,0.0685496933,GGA,Pm,A4BC12D3_mP80_6_3ab6c_2a2b_12a12b12c_6a6b:Cu-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_mP80_6_3ab11c_2a2b_12a12b22c_6a6b:Cu-Li-O-P, expected Li2Cu13(P3O17)2 to be LiCu4(PO4)3" +mp-761193,LiCu4(PO4)3,-6.605721428,-1.9104253479,0.0865206783,0.0865206783,GGA,Cc,A4BC12D3_mC80_9_4a_a_12a_3a:Cu-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_15_2c2e2f_e_21f_e2f:Cu-Li-O-P, expected LiCu8P5O42 to be LiCu4(PO4)3" +mp-26741,LiCu4(PO4)3,-6.654100425,-1.9588043449,0.0381416813,0.0381416813,GGA,C2/c,A4BC12D3_mC80_15_2ef_e_6f_ef:Cu-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_15_4e3f_e_21f_2e2f:Cu-Li-O-P, expected LiCu10(PO7)6 to be LiCu4(PO4)3" +mp-759742,LiCu4(PO4)3,-6.6229167663,-1.9276206862,0.06932534,0.06932534,GGA,Cmc2_1,A4BC12D3_oC80_36_2ab_a_6a3b_3a:Cu-Li-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_oC80_36_4a2b_a_12a7b_6a:Cu-Li-O-P, expected LiCu8(P3O13)2 to be LiCu4(PO4)3" +mp-762274,LiCu4(PO4)3,-6.5996942542,-1.9043981742,0.092547852,0.092547852,GGA,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Cu-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_58_5g2h_g_23g10h_11g:Cu-Li-O-P, expected LiCu9P11O43 to be LiCu4(PO4)3" +mp-504260,LiCu4(PO4)3,-6.6528325373,-1.9575364572,0.039409569,0.039409569,GGA,Pnma,A4BC12D3_oP80_62_2d_c_2c5d_cd:Cu-Li-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_62_5d_c_6c19d_3c2d:Cu-Li-O-P, expected LiCu10P7O44 to be LiCu4(PO4)3" +mp-684120,LiCuP2O7,-6.8905776532,-2.2122544233,0.0424323106,0.0424323106,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cu-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Cu-Li-O-P, expected LiCuP4O25 to be LiCuP2O7" +mp-25871,Li3Cu2P5O16,-7.00856428,-2.3878445164,0.0384126413,0.0384126413,GGA,P2/c,A2B3C16D5_mP52_13_g_eg_8g_f2g:Cu-Li-O-P,52.0,"Invalid WP multiplicities - A2B3C16D5_mP52_13_g_2e2g_29g_2f7g:Cu-Li-O-P, expected Li3CuP8O29 to be Li3Cu2P5O16" +mp-26303,Li6Cu9(PO4)8,-6.6687975235,-2.1243092318,0.0250800875,0.0250800875,GGA,P-1,A9B6C32D8_aP55_2_bcd3i_3i_16i_4i:Cu-Li-O-P,55.0,"Invalid WP multiplicities - A9B6C32D8_aP55_2_bcd6i_4i_31i_7i:Cu-Li-O-P, expected Li8Cu15(P7O31)2 to be Li6Cu9(PO4)8" +mp-772084,Li5Cu6(P2O7)4,-6.8479122057,-2.2531556457,0.0245529699,0.0245529699,GGA,P-1,A6B5C28D8_aP47_2_bd2i_a2i_14i_4i:Cu-Li-O-P,47.0,"Invalid WP multiplicities - A6B5C28D8_aP47_2_bd4i_a4i_27i_7i:Cu-Li-O-P, expected Li9Cu10(P7O27)2 to be Li5Cu6(P2O7)4" +mp-935925,Li3Cu(PO4)2,-5.53373874,-1.2318751705,1.1685404397,1.1685404397,GGA,P1,AB3C8D2_aP28_1_2a_6a_16a_4a:Cu-Li-O-P,28.0,AB3C8D2_aP28_1_2a_6a_16a_4a:Cu-Li-O-P +mp-504348,Li3Cu(PO4)2,-6.6477046121,-2.3458410426,0.0545745676,0.0545745676,GGA,P1,AB3C8D2_aP28_1_2a_6a_16a_4a:Cu-Li-O-P,28.0,AB3C8D2_aP28_1_2a_6a_16a_4a:Cu-Li-O-P +mp-26224,Li3Cu(PO4)2,-6.6459566964,-2.3440931269,0.0563224833,0.0563224833,GGA,P2_1,AB3C8D2_mP56_4_2a_6a_16a_4a:Cu-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_4_2a_10a_31a_6a:Cu-Li-O-P, expected Li10Cu2P6O31 to be Li3Cu(PO4)2" +mp-26794,Li3Cu(PO4)2,-6.6463012689,-2.3444376994,0.0559779108,0.0559779108,GGA,Pc,AB3C8D2_mP28_7_a_3a_8a_2a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_7_a_4a_16a_3a:Cu-Li-O-P, expected Li4CuP3O16 to be Li3Cu(PO4)2" +mp-762439,Li14Cu9(P2O7)8,-6.8317024325,-2.3343846631,0.0687408247,0.0687408247,GGA,P-1,A9B14C56D16_aP95_2_a4i_7i_28i_8i:Cu-Li-O-P,95.0,"Invalid WP multiplicities - A9B14C56D16_aP95_2_a7i_13i_55i_15i:Cu-Li-O-P, expected Li26Cu15(P3O11)10 to be Li14Cu9(P2O7)8" +mp-772939,Li5Cu(PO4)2,-6.5246690413,-2.5219230596,0.0336603961,0.0336603961,GGA,P1,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P,32.0,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P +mp-773438,Li5Cu(PO4)2,-6.5266598384,-2.5239138568,0.0316695989,0.0316695989,GGA,P1,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P,32.0,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P +mp-779472,Li5Cu(PO4)2,-6.5259253466,-2.5231793649,0.0324040908,0.0324040908,GGA,P1,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P,32.0,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P +mp-780392,Li5Cu(PO4)2,-6.5266675631,-2.5239215815,0.0316618742,0.0316618742,GGA,P1,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P,32.0,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P +mp-26247,Li5Cu(PO4)2,-6.5261480622,-2.5234020805,0.0321813752,0.0321813752,GGA,P1,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P,32.0,AB5C8D2_aP32_1_2a_10a_16a_4a:Cu-Li-O-P +mp-755821,Li5Cu(PO4)2,-6.5293566031,-2.5266106215,0.0289728342,0.0289728342,GGA,Pm,AB5C8D2_mP16_6_a_b2c_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB5C8D2_mP16_6_a_b3c_2a2b4c_ab:Cu-Li-O-P, expected Li7Cu(PO6)2 to be Li5Cu(PO4)2" +mp-778743,Li5Cu(PO4)2,-6.5252240487,-2.5224780671,0.0331053886,0.0331053886,GGA,Pm,AB5C8D2_mP32_6_c_2a2b3c_4a4b4c_2a2b:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB5C8D2_mP32_6_c_2a2b6c_4a4b8c_2a2b:Cu-Li-O-P, expected Li8Cu(PO6)2 to be Li5Cu(PO4)2" +mp-779046,Li5Cu(PO4)2,-6.5238553638,-2.5211093821,0.0344740736,0.0344740736,GGA,Pc,AB5C8D2_mP32_7_a_5a_8a_2a:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB5C8D2_mP32_7_a_8a_16a_2a:Cu-Li-O-P, expected Li8Cu(PO8)2 to be Li5Cu(PO4)2" +mp-26311,Li5Cu(PO4)2,-6.5234203266,-2.5206743449,0.0349091108,0.0349091108,GGA,Pc,AB5C8D2_mP32_7_a_5a_8a_2a:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB5C8D2_mP32_7_a_6a_11a_4a:Cu-Li-O-P, expected Li6CuP4O11 to be Li5Cu(PO4)2" +mp-26248,Li4Cu(PO4)2,-6.601756011,-2.4594218217,0.0531493823,0.0531493823,GGA,P1,AB4C8D2_aP30_1_2a_8a_16a_4a:Cu-Li-O-P,30.0,AB4C8D2_aP30_1_2a_8a_16a_4a:Cu-Li-O-P +mp-752943,Li4Cu(PO4)2,-6.587570836,-2.4452366467,0.0673345573,0.0673345573,GGA,P-1,AB4C8D2_aP15_2_a_2i_4i_i:Cu-Li-O-P,15.0,"Invalid WP multiplicities - AB4C8D2_aP15_2_a_3i_7i_i:Cu-Li-O-P, expected Li6Cu(PO7)2 to be Li4Cu(PO4)2" +mp-26312,Li4Cu(PO4)2,-6.6092831403,-2.466948951,0.045622253,0.045622253,GGA,Pc,AB4C8D2_mP30_7_a_4a_8a_2a:Cu-Li-O-P,30.0,"Invalid WP multiplicities - AB4C8D2_mP30_7_a_5a_12a_4a:Cu-Li-O-P, expected Li5Cu(PO3)4 to be Li4Cu(PO4)2" +mp-26223,Li4Cu(PO4)2,-6.6293871368,-2.4870529475,0.0255182565,0.0255182565,GGA,P2_1/c,AB4C8D2_mP60_14_e_4e_8e_2e:Cu-Li-O-P,60.0,"Invalid WP multiplicities - AB4C8D2_mP60_14_e_13e_28e_6e:Cu-Li-O-P, expected Li13Cu(P3O14)2 to be Li4Cu(PO4)2" +mp-673128,LiCuPO4,-6.5551201961,-2.0968077835,0.1396919889,0.1396919889,GGA,P1,ABC4D_aP28_1_4a_4a_16a_4a:Cu-Li-O-P,28.0,ABC4D_aP28_1_4a_4a_16a_4a:Cu-Li-O-P +mp-758170,LiCuPO4,-6.6173864482,-2.1590740356,0.0774257368,0.0774257368,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-758497,LiCuPO4,-6.6185611889,-2.1602487763,0.0762509961,0.0762509961,GGA,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_15i_3i:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-769278,LiCuPO4,-6.5907415325,-2.1324291199,0.1040706525,0.1040706525,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-758796,LiCuPO4,-6.5959547682,-2.1376423556,0.0988574168,0.0988574168,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_3a:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-758430,LiCuPO4,-6.6352437071,-2.1769312945,0.0595684779,0.0595684779,GGA,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Cu-Li-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Cu-Li-O-P +mp-27048,LiCuPO4,-6.6199587529,-2.1616463402,0.0748534321,0.0748534321,GGA,Pc,ABC4D_mP14_7_a_a_4a_a:Cu-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Cu-Li-O-P, expected LiCuPO8 to be LiCuPO4" +mp-27064,LiCuPO4,-6.6468244429,-2.1885120302,0.0479877421,0.0479877421,GGA,Pc,ABC4D_mP14_7_a_a_4a_a:Cu-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_mP14_7_a_a_8a_a:Cu-Li-O-P, expected LiCuPO8 to be LiCuPO4" +mp-758520,LiCuPO4,-6.6111652582,-2.1528528456,0.0836469268,0.0836469268,GGA,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Cu-Li-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Cu-Li-O-P +mp-758192,LiCuPO4,-6.5907551307,-2.1324427181,0.1040570543,0.1040570543,GGA,Cc,ABC4D_mC28_9_a_a_4a_a:Cu-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Cu-Li-O-P, expected LiCuPO8 to be LiCuPO4" +mp-759346,LiCuPO4,-6.6407386563,-2.1824262437,0.0540735287,0.0540735287,GGA,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Cu-Li-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_15a_16a_64a_14a:Cu-Li-O-P, expected Li16Cu15(P7O32)2 to be LiCuPO4" +mp-758176,LiCuPO4,-6.6103831336,-2.152070721,0.0844290514,0.0844290514,GGA,Cc,ABC4D_mC84_9_3a_3a_12a_3a:Cu-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_mC84_9_6a_5a_23a_5a:Cu-Li-O-P, expected Li5Cu6P5O23 to be LiCuPO4" +mp-758100,LiCuPO4,-6.6201922064000005,-2.1618797938,0.0746199786,0.0746199786,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-26467,LiCuPO4,-6.6481724339,-2.1898600213,0.0466397511,0.0466397511,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_12e_e:Cu-Li-O-P, expected LiCuPO12 to be LiCuPO4" +mp-758990,LiCuPO4,-6.624122247,-2.1658098343,0.070689938,0.070689938,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Cu-Li-O-P, expected Li3Cu3P3O31 to be LiCuPO4" +mp-759365,LiCuPO4,-6.5903466373,-2.1320342246,0.1044655477,0.1044655477,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Cu-Li-O-P, expected Li9Cu9P9O47 to be LiCuPO4" +mp-759627,LiCuPO4,-6.6171387387,-2.1588263261,0.0776734462,0.0776734462,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Cu-Li-O-P, expected Li3Cu3P3O23 to be LiCuPO4" +mp-759823,LiCuPO4,-6.609188266,-2.1508758533,0.085623919,0.085623919,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Cu-Li-O-P, expected Li9Cu9P9O47 to be LiCuPO4" +mp-758856,LiCuPO4,-6.6003097382,-2.1419973256,0.0945024468,0.0945024468,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-758897,LiCuPO4,-6.5954687331,-2.1371563205,0.0993434519,0.0993434519,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-504264,LiCuPO4,-6.6559192382,-2.1976068256,0.0388929468,0.0388929468,GGA,P2_1/c,ABC4D_mP28_14_ad_e_4e_e:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_2ad_e_13e_e:Cu-Li-O-P, expected Li2Cu3(PO13)2 to be LiCuPO4" +mp-769272,LiCuPO4,-6.6400484343,-2.1817360217,0.0547637507,0.0547637507,GGA,C2/c,ABC4D_mC56_15_f_f_4f_f:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_mC56_15_f_f_13f_f:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-758624,LiCuPO4,-6.6455311286,-2.187218716,0.0492810564,0.0492810564,GGA,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Cu-Li-O-P, expected Li5Cu5P5O29 to be LiCuPO4" +mp-757209,LiCuPO4,-6.6101178779000005,-2.1518054652,0.0846943071,0.0846943071,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-758616,LiCuPO4,-6.6372355689,-2.1789231563,0.0575766161,0.0575766161,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-761191,LiCuPO4,-6.6081566443,-2.1498442317,0.0866555407,0.0866555407,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-752507,LiCuPO4,-6.6284006354,-2.1700882227,0.0664115496,0.0664115496,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-769290,LiCuPO4,-6.5992866768,-2.1409742642,0.0955255082,0.0955255082,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-504304,LiCuPO4,-6.6355111168,-2.1771987042,0.0593010682,0.0593010682,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_14a_a:Cu-Li-O-P, expected LiCuPO14 to be LiCuPO4" +mp-773891,LiCuPO4,-6.6430654336,-2.184753021,0.0517467514,0.0517467514,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-758071,LiCuPO4,-6.5939227793,-2.1356103667,0.1008894057,0.1008894057,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-758955,LiCuPO4,-6.6228876925,-2.1645752799,0.0719244925,0.0719244925,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-1176767,LiCuPO4,-6.6171439402,-2.1588315276,0.0776682448,0.0776682448,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_9a_45a_9a:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-25885,LiCuPO4,-6.64107157,-2.1827591574,0.053740615,0.053740615,GGA,Fdd2,ABC4D_oF56_43_a_a_2b_a:Cu-Li-O-P,14.0,ABC4D_oF56_43_a_a_2b_a:Cu-Li-O-P +mp-758531,LiCuPO4,-6.598990095,-2.1406776824,0.09582209,0.09582209,GGA,Pbcn,ABC4D_oP28_60_c_c_2d_c:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_60_c_c_5d_c:Cu-Li-O-P, expected LiCuPO10 to be LiCuPO4" +mp-769274,LiCuPO4,-6.6285400605,-2.1702276479,0.0662721245,0.0662721245,GGA,Pbca,ABC4D_oP56_61_c_c_4c_c:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-762220,LiCuPO4,-6.6185713562,-2.1602589436,0.0762408287,0.0762408287,GGA,Pbca,ABC4D_oP56_61_c_c_4c_c:Cu-Li-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-25449,LiCuPO4,-6.6430276939,-2.1847152813,0.0517844911,0.0517844911,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_4c2d_c:Cu-Li-O-P, expected LiCuPO8 to be LiCuPO4" +mp-758415,LiCuPO4,-6.6307211200000005,-2.1724087074,0.064091065,0.064091065,GGA,Pnma,ABC4D_oP28_62_a_c_2cd_c:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_a_c_7c2d_c:Cu-Li-O-P, expected LiCuPO11 to be LiCuPO4" +mp-758828,LiCuPO4,-6.6029847721,-2.1446723595,0.0918274129,0.0918274129,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_5c4d_c:Cu-Li-O-P, expected LiCuPO13 to be LiCuPO4" +mp-755245,LiCuPO4,-6.6245646093,-2.1662521967,0.0702475757,0.0702475757,GGA,Cmcm,ABC4D_oC28_63_a_c_fg_c:Cu-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_a_c_2fg_c:Cu-Li-O-P, expected LiCuPO6 to be LiCuPO4" +mp-758750,LiCuPO4,-6.5960978207,-2.1377854081,0.0987143643,0.0987143643,GGA,Cmcm,ABC4D_oC28_63_c_a_fg_c:Cu-Li-O-P,14.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_a_f2g_c:Cu-Li-O-P, expected LiCuPO6 to be LiCuPO4" +mp-26477,LiCuPO4,-6.6538677929,-2.1955553802,0.0409443921,0.0409443921,GGA,I-4,ABC4D_tI14_82_a_b_g_c:Cu-Li-O-P,7.0,ABC4D_tI14_82_a_b_g_c:Cu-Li-O-P +mp-26513,LiCuPO4,-6.6478984274,-2.1895860148,0.0469137576,0.0469137576,GGA,R3,ABC4D_hR126_146_2b_2b_8b_2b:Cu-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_6b_4b_20b_5b:Cu-Li-O-P, expected Li4Cu6(PO4)5 to be LiCuPO4" +mp-758880,LiCuPO4,-6.6111962652,-2.1528838526,0.0836159198,0.0836159198,GGA,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Cu-Li-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b15c_a4b:Cu-Li-O-P, expected Li3Cu3(PO10)5 to be LiCuPO4" +mp-759776,LiCuPO4,-6.5862759986,-2.127963586,0.1085361864,0.1085361864,GGA,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Cu-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Cu-Li-O-P, expected LiCuPO5 to be LiCuPO4" +mp-758542,LiCuPO4,-6.5800228339,-2.1217104213,0.1147893511,0.1147893511,GGA,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Cu-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_21a_17a_89a_17a:Cu-Li-O-P, expected Li17Cu21P17O89 to be LiCuPO4" +mp-758918,LiCuPO4,-6.5879259739,-2.1296135613,0.1068862111,0.1068862111,GGA,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Cu-Li-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_17a_21a_89a_17a:Cu-Li-O-P, expected Li21Cu17P17O89 to be LiCuPO4" +mp-758886,LiCuPO4,-6.5833935782,-2.1250811656,0.1114186068,0.1114186068,GGA,P6_422,ABC4D_hP84_181_gi_bcf_4k_hj:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_6g5i_b3c4f_37k_3h2j:Cu-Li-O-P, expected Li6Cu11P5O74 to be LiCuPO4" +mp-759334,LiCuPO4,-6.5837948217,-2.125482409,0.1110173633,0.1110173633,GGA,P6_422,ABC4D_hP84_181_gi_adf_4k_hj:Cu-Li-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_3g2i_a3d4f_37k_6h5j:Cu-Li-O-P, expected Li6Cu5P11O74 to be LiCuPO4" +mp-754406,Li2CuPO4,-6.4345983119,-2.2949595925,0.0620736122,0.0620736122,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Li-O-P,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Li-O-P +mp-773146,Li2CuPO4,-6.43120233,-2.2915636106,0.0654695941,0.0654695941,GGA,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P +mp-778949,Li2CuPO4,-6.43133516,-2.2916964406,0.0653367641,0.0653367641,GGA,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P +mp-779539,Li2CuPO4,-6.4355678006,-2.2959290812,0.0611041234,0.0611041234,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Li-O-P,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-Li-O-P +mp-779643,Li2CuPO4,-6.4304155203,-2.2907768009,0.0662564038,0.0662564038,GGA,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P +mp-779916,Li2CuPO4,-6.4353902753,-2.2957515559,0.0612816488,0.0612816488,GGA,P1,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P,32.0,AB2C4D_aP32_1_4a_8a_16a_4a:Cu-Li-O-P +mp-753179,Li2CuPO4,-6.3918184587,-2.2521797394,0.1048534653,0.1048534653,GGA,P2_1,AB2C4D_mP16_4_a_2a_4a_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB2C4D_mP16_4_a_3a_7a_a:Cu-Li-O-P, expected Li3CuPO7 to be Li2CuPO4" +mp-755445,Li2CuPO4,-6.43119318,-2.2915544606,0.0654787441,0.0654787441,GGA,Pm,AB2C4D_mP16_6_c_abc_2a2b2c_ab:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB2C4D_mP16_6_c_ab2c_2a2b4c_ab:Cu-Li-O-P, expected Li3CuPO6 to be Li2CuPO4" +mp-26851,Li2CuPO4,-6.4471543178,-2.3075155984,0.0495176063,0.0495176063,GGA,Pm,AB2C4D_mP32_6_2ac_2b3c_4a4b4c_2a2b:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mP32_6_2ac_2b4c_4a4b6c_2a2b:Cu-Li-O-P, expected Li5Cu2(PO5)2 to be Li2CuPO4" +mp-27063,Li2CuPO4,-6.4321822256,-2.2925435062,0.0644896984,0.0644896984,GGA,Pc,AB2C4D_mP16_7_a_2a_4a_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_3a_6a_a:Cu-Li-O-P, expected Li3CuPO6 to be Li2CuPO4" +mp-757430,Li2CuPO4,-6.4136356875,-2.2739969681,0.0830362366,0.0830362366,GGA,C2/m,AB2C4D_mC32_12_g_hi_2ij_i:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB2C4D_mC32_12_g_h2i_4ij_i:Cu-Li-O-P, expected Li3CuPO6 to be Li2CuPO4" +mp-26875,Li2CuPO4,-6.4308999809,-2.2912612616,0.0657719431,0.0657719431,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_5e_15e_e:Cu-Li-O-P, expected Li5CuPO15 to be Li2CuPO4" +mp-27047,Li2CuPO4,-6.4411138887,-2.3014751694,0.0555580353,0.0555580353,GGA,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Cu-Li-O-P,16.0,"Invalid WP multiplicities - AB2C4D_oP16_31_a_b_4a3b_a:Cu-Li-O-P, expected Li2CuPO10 to be Li2CuPO4" +mp-758587,Li2CuPO4,-6.4378465872,-2.2982078678,0.0588253369,0.0588253369,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_5c3d_c:Cu-Li-O-P, expected Li2CuPO11 to be Li2CuPO4" +mp-26695,Li2CuPO4,-6.4417201766,-2.3020814572,0.0549517475,0.0549517475,GGA,Pnma,AB2C4D_oP32_62_c_d_2cd_c:Cu-Li-O-P,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_7c5d_c:Cu-Li-O-P, expected Li2CuPO17 to be Li2CuPO4" +mp-762111,Li2CuPO4,-6.4046927483000005,-2.265054029,0.0919791757,0.0919791757,GGA,P3_121,AB2C4D_hP24_152_a_c_2c_b:Cu-Li-O-P,24.0,"Invalid WP multiplicities - AB2C4D_hP24_152_a_c_6c_b:Cu-Li-O-P, expected Li2CuPO12 to be Li2CuPO4" +mp-585339,LiCu2P5O16,-7.0693843879,-2.2226815496,0.0174582396,0.0174582396,GGA,Pc,A2BC16D5_mP48_7_2a_a_16a_5a:Cu-Li-O-P,48.0,"Invalid WP multiplicities - A2BC16D5_mP48_7_2a_a_31a_9a:Cu-Li-O-P, expected LiCu2P9O31 to be LiCu2P5O16" +mp-761867,Li2Cu(PO3)4,-7.0732780234,-2.3927239726,0.0903379134,0.0903379134,GGA,P1,AB2C12D4_aP38_1_2a_4a_24a_8a:Cu-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_8_b_2a2b_4a20b_8b:Cu-Li-O-P, expected Li3Cu(P4O11)2 to be Li2Cu(PO3)4" +mp-672959,Li2Cu(PO3)4,-7.1454521989,-2.4648981482,0.0181637379,0.0181637379,GGA,P-1,AB2C12D4_aP19_2_a_i_6i_2i:Cu-Li-O-P,19.0,"Invalid WP multiplicities - AB2C12D4_aP19_2_a_i_10i_3i:Cu-Li-O-P, expected Li2Cu(P3O10)2 to be Li2Cu(PO3)4" +mp-761911,Li2Cu(PO3)4,-7.120564035,-2.4400099842,0.0430519018,0.0430519018,GGA,Cc,AB2C12D4_mC76_9_a_2a_12a_4a:Cu-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_9_a_2a_21a_4a:Cu-Li-O-P, expected Li2CuP4O21 to be Li2Cu(PO3)4" +mp-849754,Li2Cu(PO3)4,-7.0967222524,-2.4161682016,0.0668936844,0.0668936844,GGA,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Cu-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_14_a_e_21e_3e:Cu-Li-O-P, expected Li2Cu(PO7)6 to be Li2Cu(PO3)4" +mp-758929,Li2Cu(PO3)4,-7.1011180071,-2.4205639563,0.0624979297,0.0624979297,GGA,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Cu-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_3e_45e_11e:Cu-Li-O-P, expected Li3CuP11O45 to be Li2Cu(PO3)4" +mp-759278,Li2Cu(PO3)4,-7.07122969,-2.3906756392,0.0923862468,0.0923862468,GGA,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Cu-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_mP76_14_e_7e_43e_15e:Cu-Li-O-P, expected Li7CuP15O43 to be Li2Cu(PO3)4" +mp-26261,Li2Cu(PO3)4,-7.1485248311,-2.4679707803,0.0150911057,0.0150911057,GGA,C2/c,AB2C12D4_mC76_15_e_f_2e5f_2f:Cu-Li-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_15_e_f_4e12f_5f:Cu-Li-O-P, expected Li2Cu(P5O14)2 to be Li2Cu(PO3)4" +mp-26267,Li2Cu(PO3)4,-7.1421666097,-2.4616125589,0.0214493271,0.0214493271,GGA,Pnma,AB2C12D4_oP76_62_c_d_4c4d_2cd:Cu-Li-O-P,76.0,"Invalid WP multiplicities - AB2C12D4_oP76_62_c_d_14c18d_5c4d:Cu-Li-O-P, expected Li2CuP13O50 to be Li2Cu(PO3)4" +mp-775336,Li4V2Co3Sb3O16,-6.9546205807,-2.0023891489,0.0767913047,0.0767913047,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sb-V,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Co-Li-O-Sb-V, expected Li4V2Co3Sb3O20 to be Li4V2Co3Sb3O16" +mp-770636,Li4V3Co2Sb3O16,-7.1131400443,-2.0903518883,0.0861091423,0.0861091423,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Co-Li-O-Sb-V,28.0,"Invalid WP multiplicities - A2B4C16D3E3_mC56_8_2a_4a_8a6b_ab_ab:Co-Li-O-Sb-V, expected Li4V3Co2Sb3O20 to be Li4V3Co2Sb3O16" +mp-9230,KAlAs2O7,-6.6597710523,-2.2233135463,0.0,-0.0060261303,GGA,P-1,AB2CD7_aP22_2_i_2i_ab_7i:Al-As-K-O,22.0,AB2CD7_aP22_2_i_2i_ab_7i:Al-As-K-O +mp-1203514,KNaAl2As2O9,-6.7039853308,-2.4531512567,0.0,-0.0016383099,GGA,Pnma,A2B2CDE9_oP60_62_ac_2c_c_c_5c2d:Al-As-K-Na-O,60.0,A2B2CDE9_oP60_62_ac_2c_c_c_5c2d:Al-As-K-Na-O +mp-9069,K2NaAlAs2,-3.3364294883,-0.5685735171,0.0,-0.0531417962,GGA,Ibam,AB2C2D_oI24_72_a_j_j_b:Al-As-K-Na,12.0,AB2C2D_oI24_72_a_j_j_b:Al-As-K-Na +mp-1197125,K3Al2(AsO4)3,-6.5566529696,-2.3486545571,0.0,-0.0307254518,GGA,Pna2_1,A2B3C3D12_oP80_33_2a_3a_3a_12a:Al-As-K-O,80.0,A2B3C3D12_oP80_33_2a_3a_3a_12a:Al-As-K-O +mp-541682,K3AlAs2,-3.2431665262,-0.5106649461,0.0,-0.0236168992,GGA,P-1,AB2C3_aP48_2_4i_8i_12i:Al-As-K,48.0,AB2C3_aP48_2_4i_8i_12i:Al-As-K +mp-28347,K3Al2As3,-3.6696338394,-0.5696708749,0.0,-0.0653866247,GGA,P2_1/m,A2B3C3_mP16_11_f_3e_3e:Al-As-K,16.0,"Invalid WP multiplicities - A2B3C3_mP16_11_f_3e_5e:Al-As-K, expected K5Al2As3 to be K3Al2As3" +mp-866716,RbLiH12Se3N4,-4.7553914732,-0.5917779679,0.0,-0.0153671409,GGA,C2/c,A12BC4DE3_mC168_15_12f_f_4f_f_3f:H-Li-N-Rb-Se,84.0,A12BC4DE3_mC168_15_12f_f_4f_f_3f:H-Li-N-Rb-Se +mp-1246359,Li6SeN4,-4.8784503173,-0.4879568284,0.2114771552,0.2114771552,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-Se,22.0,A6B4C_tP22_137_df_g_a:Li-N-Se +mp-973793,Li8SeN2,-3.9415576105,-0.7197135867000001,0.0,-0.0008281232,GGA,I4_1md,A8B2C_tI44_109_2abc_b_a:Li-N-Se,22.0,"Invalid WP multiplicities - A8B2C_tI44_109_4a3b4c_b_a:Li-N-Se, expected Li26SeN2 to be Li8SeN2" +mp-722455,RbLi2(H2N)3,-4.7161818787000005,-0.5358301412,0.0063387406,0.0063387406,GGA,P1,A6B2C3D_aP24_1_12a_4a_6a_2a:H-Li-N-Rb,24.0,A6B2C3D_aP24_1_12a_4a_6a_2a:H-Li-N-Rb +mp-1179724,RbLi2(H2N)3,-4.7161149042,-0.5357631666,0.0064057152,0.0064057152,GGA,Cmcm,A6B2C3D_oC48_63_3g_e_cg_c:H-Li-N-Rb,24.0,A6B2C3D_oC48_63_3g_e_cg_c:H-Li-N-Rb +mp-510073,RbLi(H2N)2,-4.6588213966000005,-0.5171525254,0.0,-0.012440075,GGA,Pnma,A4BC2D_oP32_62_2cd_c_2c_c:H-Li-N-Rb,32.0,A4BC2D_oP32_62_2cd_c_2c_c:H-Li-N-Rb +mp-541777,SrMnV2(AgO4)2,-7.4215913229,-2.117452567,0.0284501366,0.0284501366,GGA+U,C2/c,A2BC8DE2_mC56_15_f_a_4f_e_f:Ag-Mn-O-Sr-V,28.0,A2BC8DE2_mC56_15_f_c_4f_e_f:Ag-Mn-O-Sr-V +mp-555885,SrV4(AgO6)2,-7.6376048474,-2.2138946224,0.0,-0.0248361028,GGA+U,P4/nbm,A2B12CD4_tP38_125_e_mn_a_l:Ag-O-Sr-V,38.0,"Invalid WP multiplicities - A2B12CD4_tP38_125_e_5m6n_a_l:Ag-O-Sr-V, expected SrV4(AgO34)2 to be SrV4(AgO6)2" +mp-707097,NaGdRe4(H2O5)4,-7.6368501771,-2.0117813871,0.0,-0.0526740127,GGA,P-4n2,AB8CD20E4_tP68_118_c_2i_a_5i_i:Gd-H-Na-O-Re,68.0,AB8CD20E4_tP68_118_c_2i_a_5i_i:Gd-H-Na-O-Re +mp-1519857,KLaPrSbO6,-7.3081056298,-2.8444610983,0.0940558211,0.0940558211,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:K-La-O-Pr-Sb,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_2a2b_cd_6m_e_f:K-La-O-Pr-Sb, expected K2LaPrSbO12 to be KLaPrSbO6" +mp-1519950,KLaPrSbO6,-7.213514637,-2.7498701055,0.1886468138,0.1886468138,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Pr-Sb,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Pr-Sb +mp-1516820,NaSrHfWO6,-8.494559921,-2.9338128936,0.0662999323,0.0662999323,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-Na-O-Sr-W +mp-558625,SrZr(PO4)2,-8.3184996092,-3.2653905436,0.0141551398,0.0141551398,GGA,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-Zr,24.0,"Invalid WP multiplicities - A8B2CD_aP24_2_12i_3i_i_i:O-P-Sr-Zr, expected SrZr(PO4)3 to be SrZr(PO4)2" +mp-555580,SrZr4(PO4)6,-8.6050497737,-3.2598886285,0.0,-0.0254016922,GGA,R-3,A24B6CD4_hR105_148_4f_f_a_2c:O-P-Sr-Zr,35.0,"Invalid WP multiplicities - A24B6CD4_hR105_148_20f_f_a_2c:O-P-Sr-Zr, expected SrZr4(PO20)6 to be SrZr4(PO4)6" +mp-1218809,Sr3CaZr16(PO4)24,-8.6029728038,-3.2555537555000003,0.0022902344,0.0022902344,GGA,R-3,AB96C24D3E16_hR420_148_a_16f_4f_bc_8c:Ca-O-P-Sr-Zr,140.0,"Invalid WP multiplicities - AB96C24D3E16_hR420_148_a_92f_23f_b2c_14c:Ca-O-P-Sr-Zr, expected Sr5CaZr28(PO4)138 to be Sr3CaZr16(PO4)24" +mp-1218248,SrCaZr8(PO4)12,-8.6037629107,-3.2540859594,0.0017133919,0.0017133919,GGA,P-1,AB48C12DE8_aP70_2_b_24i_6i_d_4i:Ca-O-P-Sr-Zr,70.0,"Invalid WP multiplicities - AB48C12DE8_aP70_2_a_48i_12i_b_8i:Ca-O-P-Sr-Zr, expected SrCaZr16(PO4)24 to be SrCaZr8(PO4)12" +mp-1218319,SrCa3Zr16(PO4)24,-8.6036435978,-3.2517087434,0.0020459692,0.0020459692,GGA,P-1,A3B96C24DE16_aP140_2_bi_48i_12i_e_8i:Ca-O-P-Sr-Zr,140.0,"Invalid WP multiplicities - A3B96C24DE16_aP140_2_b2i_96i_24i_c_14i:Ca-O-P-Sr-Zr, expected SrCa5Zr28(PO4)48 to be SrCa3Zr16(PO4)24" +mp-1218677,SrCa3Zr16(PO4)24,-8.6007752761,-3.2488404217,0.0049142909,0.0049142909,GGA,R-3,A3B96C24DE16_hR420_148_d_16f_4f_b_2c2f:Ca-O-P-Sr-Zr,140.0,"Invalid WP multiplicities - A3B96C24DE16_hR420_148_d_96f_24f_b_4c5f:Ca-O-P-Sr-Zr, expected SrCa3Zr38(PO4)144 to be SrCa3Zr16(PO4)24" +mp-760896,K4Li5Mn2O8,-5.6251269903,-1.8417717063,0.0813324423,0.0813324423,GGA+U,P1,A4B5C2D8_aP38_1_8a_10a_4a_16a:K-Li-Mn-O,38.0,A4B5C2D8_aP38_1_8a_10a_4a_16a:K-Li-Mn-O +mp-766140,K4Li7Mn2O8,-5.431214795,-1.8263768841,0.073057958,0.073057958,GGA+U,P1,A4B7C2D8_aP42_1_8a_14a_4a_16a:K-Li-Mn-O,42.0,A4B7C2D8_aP42_1_8a_14a_4a_16a:K-Li-Mn-O +mp-760897,K4Li7Mn2O8,-5.4221369902,-1.8172990793,0.0821357627,0.0821357627,GGA+U,Pc,A4B7C2D8_mP42_7_4a_7a_2a_8a:K-Li-Mn-O,42.0,"Invalid WP multiplicities - A4B7C2D8_mP42_7_8a_14a_2a_16a:K-Li-Mn-O, expected K4Li7MnO8 to be K4Li7Mn2O8" +mp-773015,K2Li3MnO4,-5.5760927302,-1.8864590671,0.034483048,0.034483048,GGA+U,P2_1/c,A2B3CD4_mP40_14_2e_3e_e_4e:K-Li-Mn-O,40.0,"Invalid WP multiplicities - A2B3CD4_mP40_14_7e_9e_e_15e:K-Li-Mn-O, expected K7Li9MnO15 to be K2Li3MnO4" +mp-780874,KLi2Mn2O4,-6.69320458,-1.9110901234,0.0854413545,0.0854413545,GGA+U,P2_1/m,AB2C2D4_mP18_11_e_f_ad_2f:K-Li-Mn-O,18.0,"Invalid WP multiplicities - AB2C2D4_mP18_11_e_f_2a2c_2f:K-Li-Mn-O, expected KLi2Mn4O4 to be KLi2Mn2O4" +mp-558825,K4Mn(MoO4)3,-7.4614563262,-2.186415029,0.0,-0.0115971079,GGA+U,P-1,A4BC3D12_aP40_2_ad3i_i_3i_12i:K-Mn-Mo-O,40.0,"Invalid WP multiplicities - A4BC3D12_aP40_2_ad6i_i_6i_24i:K-Mn-Mo-O, expected K7Mn(MoO4)6 to be K4Mn(MoO4)3" +mp-651434,K2Mn2(MoO4)3,-8.0528807336,-2.1348784523,0.0,-0.0047168928,GGA+U,Pcca,A2B2C3D12_oP152_54_cdf_cef_3f_12f:K-Mn-Mo-O,152.0,"Invalid WP multiplicities - A2B2C3D12_oP152_54_3c3d4f_3c3e4f_15f_91f:K-Mn-Mo-O, expected K7Mn7Mo15O91 to be K2Mn2(MoO4)3" +mp-757769,K8Li9Mn4O16,-5.7120941646,-1.878078545,0.0461788493,0.0461788493,GGA+U,P1,A8B9C4D16_aP37_1_8a_9a_4a_16a:K-Li-Mn-O,37.0,A8B9C4D16_aP37_1_8a_9a_4a_16a:K-Li-Mn-O +mp-555534,K4MnMo4O15,-7.6204637708,-2.1543578463,0.0,-0.0005411235,GGA+U,P-3,A4BC4D15_hP48_147_abg_d_dg_5g:K-Mn-Mo-O,48.0,"Invalid WP multiplicities - A4BC4D15_hP48_147_ab2g_d_2d3g_24g:K-Mn-Mo-O, expected K7MnMo11O72 to be K4MnMo4O15" +mp-549671,KLiMnO2,-6.2703302315,-1.8553873259,0.0,-0.001409434,GGA+U,C2/m,ABCD2_mC20_12_i_i_i_2i:K-Li-Mn-O,20.0,ABCD2_mC20_12_i_i_i_2i:K-Li-Mn-O +mp-770699,KLiMnO2,-6.243315536,-1.8283726304,0.0270146955,0.0256052615,GGA+U,Cccm,ABCD2_oC40_66_ae_g_l_hl:K-Li-Mn-O,20.0,ABCD2_oC40_66_ae_g_l_hl:K-Li-Mn-O +mp-758155,K8Li3Mn4O16,-6.0371915348,-1.8305773179,0.0288552467,0.0288552467,GGA+U,P1,A8B3C4D16_aP31_1_8a_3a_4a_16a:K-Li-Mn-O,31.0,A8B3C4D16_aP31_1_8a_3a_4a_16a:K-Li-Mn-O +mp-1235268,K4LiMn4O8,-6.6837264065,-1.8265446704,0.0969775868,0.0969775868,GGA+U,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Li-Mn-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Li-Mn-O +mp-1235345,K4LiMn4O8,-6.6839737653,-1.8267920292,0.0967302279,0.0967302279,GGA+U,Pm,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Li-Mn-O,17.0,A4BC4D8_mP17_6_2a2b_a_2a2b_4a4b:K-Li-Mn-O +mp-758550,K4Li3Mn2O8,-5.8579499044,-1.8540731596,0.0740509997,0.0740509997,GGA+U,Pc,A4B3C2D8_mP34_7_4a_3a_2a_8a:K-Li-Mn-O,34.0,"Invalid WP multiplicities - A4B3C2D8_mP34_7_8a_5a_4a_16a:K-Li-Mn-O, expected K8Li5Mn4O16 to be K4Li3Mn2O8" +mp-554698,K10MnMo7O27,-7.2142674101,-2.1087973938,0.0751260922,0.0751260922,GGA+U,Pmn2_1,A10BC7D27_oP90_31_2a4b_a_3a2b_5a11b:K-Mn-Mo-O,90.0,"Invalid WP multiplicities - A10BC7D27_oP90_31_4a11b_a_6a7b_9a41b:K-Mn-Mo-O, expected K26MnMo20O91 to be K10MnMo7O27" +mp-560465,K11LiMn4O16,-5.9000567113,-1.8401069665,0.0,-0.0371217711,GGA+U,I-42m,A11BC4D16_tI64_121_acdei_b_i_2ij:K-Li-Mn-O,32.0,"Invalid WP multiplicities - A11BC4D16_tI64_121_a2c2d2e2i_b_i_8i5j:K-Li-Mn-O, expected K21LiMn4O72 to be K11LiMn4O16" +mp-1104584,KMn2(MoO5)2,-7.96417685,-1.9246690591,0.0868344546,0.0868344546,GGA+U,C2/m,AB2C2D10_mC30_12_a_f_i_3ij:K-Mn-Mo-O,15.0,AB2C2D10_mC30_12_a_e_i_3ij:K-Mn-Mo-O +mp-1290836,K2LiMn2O4,-6.5004860867000005,-1.80709651,0.0911905874,0.0911905874,GGA+U,P-1,A2BC2D4_aP18_2_bei_i_2i_4i:K-Li-Mn-O,18.0,"Invalid WP multiplicities - A2BC2D4_aP18_2_bei_i_3i_6i:K-Li-Mn-O, expected K2LiMn3O6 to be K2LiMn2O4" +mp-1305547,K2LiMn2O4,-6.4979854456,-1.8045958689,0.0936912285,0.0936912285,GGA+U,C2,A2BC2D4_mC36_5_abc_ab_2c_4c:K-Li-Mn-O,18.0,"Invalid WP multiplicities - A2BC2D4_mC36_5_abc_ab_3c_6c:K-Li-Mn-O, expected K2LiMn3O6 to be K2LiMn2O4" +mp-1235199,K2LiMn2O4,-6.46791387,-1.7745242934,0.1237628041,0.1237628041,GGA+U,Pm,A2BC2D4_mP9_6_ab_a_ab_2a2b:K-Li-Mn-O,9.0,A2BC2D4_mP9_6_ab_a_ab_2a2b:K-Li-Mn-O +mp-762634,K2LiMn2O4,-6.4994382239,-1.8060486472,0.0922384502,0.0922384502,GGA+U,C2/c,A2BC2D4_mC36_15_ce_e_f_2f:K-Li-Mn-O,18.0,A2BC2D4_mC36_15_ce_e_f_2f:K-Li-Mn-O +mp-725121,K3LiMn4(MoO4)6,-8.0848076641,-2.1457915955,0.0,-0.0087320956,GGA+U,R3c,A3BC4D6E24_hR228_161_b_a_ab_2b_8b:K-Li-Mn-Mo-O,76.0,"Invalid WP multiplicities - A3BC4D6E24_hR228_161_b_a_2a2b_12b_40b:K-Li-Mn-Mo-O, expected K3LiMn8(Mo3O10)12 to be K3LiMn4(MoO4)6" +mp-1518904,NaCaSmWO6,-7.837587265,-2.7690898844,0.1796355751,0.1796355751,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Sm-W +mp-758472,LiMnCO4,-7.7809164,-2.0542937577,0.015973032,0.015973032,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Li-Mn-O,28.0,ABCD4_mP28_14_e_e_e_4e:C-Li-Mn-O +mp-757957,LiMnCO4,-7.7080591061,-1.9814364638,0.0888303259,0.0888303259,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Li-Mn-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_11e:C-Li-Mn-O, expected LiMnCO11 to be LiMnCO4" +mp-752466,Li2Mn2(CO3)3,-7.9119435594,-2.0151891096,0.0869832569,0.0869832569,GGA+U,Amm2,A3B2C2D9_oC32_38_ae_ab_d_adef:C-Li-Mn-O,32.0,A3B2C2D9_oC32_38_ae_ab_d_adef:C-Li-Mn-O +mp-758407,Li3Mn2(CO5)2,-7.3092839319,-1.8989887977,0.0853964881,0.0853964881,GGA+U,Pmc2_1,A2B3C2D10_oP68_26_2c_2a2bc_2c_4a4b6c:C-Li-Mn-O,68.0,"Invalid WP multiplicities - A2B3C2D10_oP68_26_2c_3a4b2c_2c_8a8b10c:C-Li-Mn-O, expected Li11Mn4(CO9)4 to be Li3Mn2(CO5)2" +mp-765023,Li5Mn(CO3)4,-7.3052806165,-2.0788462469,0.0502394616,0.0502394616,GGA+U,P2_1/c,A4B5CD12_mP88_14_4e_5e_e_12e:C-Li-Mn-O,88.0,"Invalid WP multiplicities - A4B5CD12_mP88_14_7e_9e_e_27e:C-Li-Mn-O, expected Li9MnC7O27 to be Li5Mn(CO3)4" +mp-1223358,Mn26As18CO57,-7.8951437791,-1.8827275937,0.0,-0.0259991263,GGA+U,P3,A18BC26D57_hP102_143_6d_a_bc8d_19d:As-C-Mn-O,102.0,A18BC26D57_hP102_143_6d_a_bc8d_19d:As-C-Mn-O +mp-752801,Li3Mn2(CO3)4,-7.7410549076,-2.0112584462,0.0562796192,0.0562796192,GGA+U,P1,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Mn-O,21.0,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Mn-O +mp-758761,Li3Mn2(CO3)4,-7.7111785593,-1.9813820979,0.0861559675,0.0861559675,GGA+U,P2_1,A4B3C2D12_mP42_4_4a_3a_2a_12a:C-Li-Mn-O,42.0,"Invalid WP multiplicities - A4B3C2D12_mP42_4_4a_6a_2a_20a:C-Li-Mn-O, expected Li3Mn(CO5)2 to be Li3Mn2(CO3)4" +mp-758215,Li2MnCO4,-7.3326008163,-2.0831906459,0.0983535687,0.0983535687,GGA+U,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:C-Li-Mn-O,32.0,"Invalid WP multiplicities - AB2CD4_mP32_14_e_3e_e_11e:C-Li-Mn-O, expected Li3MnCO11 to be Li2MnCO4" +mp-780774,Li9Mn2(CO3)8,-7.3294616292,-2.0258758293,0.0640606927,0.0640606927,GGA+U,P1,A8B9C2D24_aP86_1_16a_18a_4a_48a:C-Li-Mn-O,86.0,A8B9C2D24_aP86_1_16a_18a_4a_48a:C-Li-Mn-O +mp-771151,Li2MnAsCO7,-7.1405165708,-2.0159777457,0.0252111876,0.0252111876,GGA+U,P2_1/m,ABC2DE7_mP24_11_e_e_f_e_5ef:As-C-Li-Mn-O,48.0,ABC2DE7_mP24_11_e_e_f_e_5ef:As-C-Li-Mn-O +mp-759008,LiMn2(CO4)2,-7.8928046277,-1.8725127719,0.0716897769,0.0716897769,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:C-Li-Mn-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_7e_e_7e_31e:C-Li-Mn-O, expected LiMn7C7O31 to be LiMn2(CO4)2" +mp-758568,LiMn2(CO4)2,-7.8910168623,-1.8707250065,0.0734775423,0.0734775423,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:C-Li-Mn-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_6e_e_8e_31e:C-Li-Mn-O, expected LiMn8C6O31 to be LiMn2(CO4)2" +mp-771034,Li3MnAsCO7,-6.9892944179,-2.1121106665,0.0601522763,0.0601522763,GGA+U,P2_1/m,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Li-Mn-O,52.0,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Li-Mn-O +mp-766018,Li2Mn(CO3)2,-7.6329588964,-2.0768385075,0.0653160968,0.0653160968,GGA+U,P1,A2B2CD6_aP22_1_4a_4a_2a_12a:C-Li-Mn-O,22.0,A2B2CD6_aP22_1_4a_4a_2a_12a:C-Li-Mn-O +mp-765989,Li2Mn(CO3)2,-7.6456665177,-2.0895461288,0.0526084755,0.0526084755,GGA+U,P2_1/c,A2B2CD6_mP22_14_e_e_a_3e:C-Li-Mn-O,22.0,"Invalid WP multiplicities - A2B2CD6_mP22_14_e_e_a_9e:C-Li-Mn-O, expected Li2Mn(CO9)2 to be Li2Mn(CO3)2" +mp-765973,Li2Mn(CO3)2,-7.6604587959,-2.104338407,0.0378161973,0.0378161973,GGA+U,Fdd2,A2B2CD6_oF88_43_b_b_a_3b:C-Li-Mn-O,44.0,A2B2CD6_oF88_43_b_b_a_3b:C-Li-Mn-O +mp-764236,Li2MnCO5,-7.2753217675,-2.0595473148,0.0418613339,0.0418613339,GGA+U,Pbam,AB2CD5_oP36_55_g_adh_g_3g2h:C-Li-Mn-O,36.0,"Invalid WP multiplicities - AB2CD5_oP36_55_g_2a2d2h_g_10g7h:C-Li-Mn-O, expected Li4MnCO17 to be Li2MnCO5" +mp-758628,Li3Mn(CO3)4,-7.342352407,-1.7841668871,0.1626620649,0.1626620649,GGA+U,Pc,A4B3CD12_mP80_7_8a_6a_2a_24a:C-Li-Mn-O,80.0,"Invalid WP multiplicities - A4B3CD12_mP80_7_8a_6a_2a_28a:C-Li-Mn-O, expected Li3Mn(C2O7)2 to be Li3Mn(CO3)4" +mp-763560,LiMn2(CO3)4,-7.9282236737,-1.7962299918,0.0930698358,0.0930698358,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:C-Li-Mn-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:C-Li-Mn-O +mp-752632,LiMn2(CO3)4,-7.9487651632,-1.8167714813,0.0725283463,0.0725283463,GGA+U,P1,A4BC2D12_aP19_1_4a_a_2a_12a:C-Li-Mn-O,19.0,A4BC2D12_aP19_1_4a_a_2a_12a:C-Li-Mn-O +mp-758704,LiMn2(CO3)4,-7.9278173497,-1.7958236679,0.0934761597,0.0934761597,GGA+U,P2_1,A4BC2D12_mP38_4_4a_a_2a_12a:C-Li-Mn-O,38.0,"Invalid WP multiplicities - A4BC2D12_mP38_4_4a_a_2a_20a:C-Li-Mn-O, expected LiMn2(CO5)4 to be LiMn2(CO3)4" +mp-760097,Li2Mn2C2O7,-7.807436321,-2.0208187609,0.0963666956,0.0963666956,GGA+U,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:C-Li-Mn-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_5e_5e_2e_27e:C-Li-Mn-O, expected Li5Mn2C5O27 to be Li2Mn2C2O7" +mp-770905,LiMnAsCO7,-7.2528250755,-1.8359575268,0.0430479589,0.0430479589,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Li-Mn-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Li-Mn-O, expected LiMnAsCO13 to be LiMnAsCO7" +mp-1295192,LiMn(CO3)2,-7.9063000138,-1.9854598726,0.0,-0.0051699404,GGA+U,P-1,A2BCD6_aP10_2_i_b_e_3i:C-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD6_aP10_2_i_b_e_5i:C-Li-Mn-O, expected LiMn(CO5)2 to be LiMn(CO3)2" +mp-1305171,LiMn(CO3)2,-7.903123476,-1.9822833349,0.0031765378,-0.0019934026,GGA+U,P-1,A2BCD6_aP20_2_2i_ah_be_6i:C-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD6_aP20_2_8i_2a2h_2b2e_24i:C-Li-Mn-O, expected LiMn(CO3)4 to be LiMn(CO3)2" +mp-752540,LiMn(CO3)2,-7.8623949173,-1.9415547761,0.0439050965,0.0387351561,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Li-Mn-O,40.0,A2BCD6_mP20_4_2a_a_a_6a:C-Li-Mn-O +mp-1649939,LiMn(CO3)2,-7.8629947275,-1.9421545864,0.0433052863,0.0381353459,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Li-Mn-O,40.0,A2BCD6_mP20_4_2a_a_a_6a:C-Li-Mn-O +mp-763549,LiMn(CO3)2,-7.8463500325,-1.9255098914,0.0599499812,0.0547800409,GGA+U,Cc,A2BCD6_mC40_9_2a_a_a_6a:C-Li-Mn-O,20.0,"Invalid WP multiplicities - A2BCD6_mC40_9_4a_a_a_12a:C-Li-Mn-O, expected LiMn(CO3)4 to be LiMn(CO3)2" +mp-758258,LiMn(CO3)2,-7.8455599838,-1.9247198426,0.06074003,0.0555700896,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:C-Li-Mn-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_3e_e_e_19e:C-Li-Mn-O, expected LiMnC3O19 to be LiMn(CO3)2" +mp-769558,LiMn(CO3)2,-7.884596069,-1.9637559279,0.0217039447,0.0165340044,GGA+U,R-3,A2BCD6_hR30_148_c_a_b_f:C-Li-Mn-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Li-Mn-O +mp-758341,Li3Mn(CO3)3,-7.4687792847,-2.0253431115,0.0588595233,0.0588595233,GGA+U,Ama2,A3B3CD9_oC64_40_bc_a2b_b_3b3c:C-Li-Mn-O,32.0,"Invalid WP multiplicities - A3B3CD9_oC64_40_2b3c_2a4b_b_6b11c:C-Li-Mn-O, expected Li6Mn(C2O7)4 to be Li3Mn(CO3)3" +mp-1516727,BaEuDyVO6,-8.677174146,-3.1224939543,0.1750530295,0.1750530295,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-V,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-V +mp-1217554,V17Fe7(PbO11)4,-8.379566713500001,-2.1820466685,0.0362162104,0.0362162104,GGA+U,P1,A7B44C4D17_aP72_1_7a_44a_4a_17a:Fe-O-Pb-V,72.0,A7B44C4D17_aP72_1_7a_44a_4a_17a:Fe-O-Pb-V +mp-1217230,V5FePbO11,-8.5085995739,-2.2855009931,0.0189552546,0.0189552546,GGA+U,Cmc2_1,AB11CD5_oC72_36_a_5a3b_a_3ab:Fe-O-Pb-V,36.0,"Invalid WP multiplicities - AB11CD5_oC72_36_a_8a6b_a_4a2b:Fe-O-Pb-V, expected V8FePbO20 to be V5FePbO11" +mp-559387,Mn3V6(FeO6)4,-8.5007015819,-2.1604287115,0.0046613953,0.0046613953,GGA+U,P-1,A4B3C24D6_aP37_2_2i_ai_12i_3i:Fe-Mn-O-V,37.0,"Invalid WP multiplicities - A4B3C24D6_aP37_2_4i_a2i_24i_4i:Fe-Mn-O-V, expected Mn5V8(FeO6)8 to be Mn3V6(FeO6)4" +mp-1221864,MnV4Fe(Pb2O9)2,-7.6262923,-1.9884835191,0.0496350569,0.0496350569,GGA+U,P-1,ABC18D4E4_aP28_2_a_d_9i_2i_2i:Fe-Mn-O-Pb-V,28.0,"Invalid WP multiplicities - ABC18D4E4_aP28_2_a_d_13i_2i_2i:Fe-Mn-O-Pb-V, expected MnV4Fe(Pb2O13)2 to be MnV4Fe(Pb2O9)2" +mp-1176412,MnV4FeO12,-8.5590922661,-2.2630964152,0.0124854435,0.0124854435,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Fe-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Fe-Mn-O-V, expected MnV8FeO24 to be MnV4FeO12" +mp-772051,Li3CuSiCO7,-6.7040358515000005,-2.1573604845,0.0851134077,0.0851134077,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cu-Li-O-Si, expected Li4CuSiCO13 to be Li3CuSiCO7" +mp-757722,BaZnGeO4,-6.3686000945,-2.4273856302,0.0407361533,0.0407361533,GGA,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Ba-Ge-O-Zn,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_a4b_c_19c_c:Ba-Ge-O-Zn, expected Ba5Zn3(GeO19)3 to be BaZnGeO4" +mp-1190949,Ba2ZnGe2O7,-6.6617670525,-2.5808862043,0.0,-0.0349931712,GGA,P-42_1m,A2B2C7D_tP24_113_e_e_cef_a:Ba-Ge-O-Zn,24.0,A2B2C7D_tP24_113_e_e_cef_a:Ba-Ge-O-Zn +mp-1019548,BaGe(S2O7)3,-6.5878096631,-1.9243212172,0.0,-0.0301204352,GGA,P2_12_12_1,ABC21D6_oP116_19_a_a_21a_6a:Ba-Ge-O-S,116.0,ABC21D6_oP116_19_a_a_21a_6a:Ba-Ge-O-S +mp-17244,Ba2ZnGe2S6O,-5.2535980487,-1.5778366227,0.0,-0.0303556223,GGA,P-42_1m,A2B2CD6E_tP24_113_e_e_c_ef_a:Ba-Ge-O-S-Zn,24.0,A2B2CD6E_tP24_113_e_e_c_ef_a:Ba-Ge-O-S-Zn +mp-2713873,ZnGe(SO4)3,-6.3483068319,-1.7805194436,0.0,-0.0131297514,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Ge-O-S-Zn,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Ge-O-S-Zn, expected ZnGe(SO12)3 to be ZnGe(SO4)3" +mp-774604,Li4Mn3Co3(WO8)2,-7.6985171911,-1.9303039565,0.1009229277,0.1009229277,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Mn-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Mn-O-W, expected Li4Mn3Co3(WO10)2 to be Li4Mn3Co3(WO8)2" +mp-1204668,Na2Lu3Te4(IO4)3,-6.1831051733,-2.3263764523,0.0,-0.0222637511,GGA,P2/c,A3B3C2D12E4_mP48_13_eg_fg_g_6g_2g:I-Lu-Na-O-Te,48.0,A3B3C2D12E4_mP48_13_eg_fg_g_6g_2g:I-Lu-Na-O-Te +mp-1226411,K2Mg2Br3(ClO4)3,-4.0021676807,-0.5936987035,0.6343582525,0.6343582525,GGA,P2/c,A3B3C2D2E12_mP44_13_eg_fg_ef_ad_6g:Br-Cl-K-Mg-O,44.0,A3B3C2D2E12_mP44_13_eg_fg_ef_ad_6g:Br-Cl-K-Mg-O +mp-1222644,MgBrClO6,-4.3216106244,-0.4680575903,0.5128077708000001,0.5128077708000001,GGA,Cm,ABCD6_mC18_8_a_a_a_2a2b:Br-Cl-Mg-O,9.0,ABCD6_mC18_8_a_a_a_2a2b:Br-Cl-Mg-O +mp-1519548,KCeZr2O6,-8.743735842,-3.361833679,0.1640013479,0.1640013479,GGA,Fm-3m,ABC6D2_cF40_225_a_b_d_c:Ce-K-O-Zr,10.0,ABC6D2_cF40_225_a_b_d_c:Ce-K-O-Zr +mp-1522421,KCeHfZrO6,-8.973766444,-3.4509154411000003,0.1362338297,0.1362338297,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-K-O-Zr +mp-1519492,KCeZr4O12,-8.7252870711,-3.1367006735,0.2258338372,0.2258338372,GGA,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ce-K-O-Zr,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ce-K-O-Zr, expected KCeZr4O18 to be KCeZr4O12" +mp-1104114,Eu(Mo3Se4)2,-7.8526976467,-0.9661513613,0.0290888607,0.0290888607,GGA,R-3,AB6C8_hR45_148_a_f_cf:Eu-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Eu-Mo-Se +mp-1198444,Eu2Mo3H2Se2O17,-7.4823896275,-1.6776997403,0.2966498346,0.2966498346,GGA+U,P2_1/m,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Eu-H-Mo-O-Se,52.0,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Eu-H-Mo-O-Se +mp-1516589,KLaInSbO6,-6.627095801,-2.3663734721,0.1435658305,0.1435658305,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:In-K-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:In-K-La-O-Sb +mp-1214371,Be3Tl2Co2F12,-5.6110691651,-2.8164424236,0.0553133289,0.0553133289,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-Tl,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-Tl +mp-1214715,Be2Tl2Co(O3F4)2,-5.1549238495,-1.7715347007000002,0.2102511209,0.2102511209,GGA+U,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Tl,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Tl +mp-1238504,Be2Tl2Co(O3F4)2,-5.039963125,-1.6565739763,0.3252118454,0.3252118454,GGA+U,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Tl,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-O-Tl +mp-1106362,TeC4Se4(N4Cl)2,-6.0362705963,0.5127107981,0.6826775103,0.6826775103,GGA,P-1,A4B2C8D4E_aP19_2_2i_i_4i_2i_a:C-Cl-N-Se-Te,19.0,A4B2C8D4E_aP19_2_2i_i_4i_2i_a:C-Cl-N-Se-Te +mp-1179167,TeC4Se4(N4Cl)2,-5.9220875384,0.626893856,0.7968605681,0.7968605681,GGA,P-1,A4B2C8D4E_aP19_2_2i_i_4i_2i_a:C-Cl-N-Se-Te,19.0,A4B2C8D4E_aP19_2_2i_i_4i_2i_a:C-Cl-N-Se-Te +mp-1192430,TeC2Se2(N2Cl)2,-5.6469994318,0.3198653731,0.6134442395,0.6134442395,GGA,P-1,A2B2C4D2E_aP22_2_2i_2i_4i_2i_i:C-Cl-N-Se-Te,22.0,A2B2C4D2E_aP22_2_2i_2i_4i_2i_i:C-Cl-N-Se-Te +mp-556123,Sr2Sc2B4O11,-8.4547987253,-3.3403214609000003,0.0063728597,0.0063728597,GGA,P-1,A4B11C2D2_aP19_2_2i_a5i_i_i:B-O-Sc-Sr,19.0,"Invalid WP multiplicities - A4B11C2D2_aP19_2_3i_a9i_i_i:B-O-Sc-Sr, expected Sr2Sc2B6O19 to be Sr2Sc2B4O11" +mp-557012,Li3Sc(BO3)2,-7.5422120567,-2.9506992638,0.0,-0.005401214,GGA,P2_1/c,A2B3C6D_mP24_14_e_ae_3e_c:B-Li-O-Sc,24.0,"Invalid WP multiplicities - A2B3C6D_mP24_14_e_ae_7e_c:B-Li-O-Sc, expected Li3Sc(BO7)2 to be Li3Sc(BO3)2" +mp-17562,Sr3Sc(BO3)3,-8.0781014553,-3.3306437566,0.0,-0.0028359614,GGA,R-3,A3B9CD3_hR96_148_f_3f_ab_f:B-O-Sc-Sr,32.0,"Invalid WP multiplicities - A3B9CD3_hR96_148_f_4f_ab_f:B-O-Sc-Sr, expected Sr3Sc(BO4)3 to be Sr3Sc(BO3)3" +mp-8796,Sr2LiSc(B2O5)2,-8.0580981086,-3.1800518267,0.0,-0.0014159878,GGA,P2_1/c,A4BC10DE2_mP72_14_4e_e_10e_e_2e:B-Li-O-Sc-Sr,72.0,"Invalid WP multiplicities - A4BC10DE2_mP72_14_7e_e_16e_e_2e:B-Li-O-Sc-Sr, expected Sr2LiScB7O16 to be Sr2LiSc(B2O5)2" +mp-15900,Sr3Sc2Cu2S2O5,-6.9335132,-2.7236435429,0.0321866414,0.0321866414,GGA,I4/mmm,A2B5C2D2E3_tI28_139_d_ag_e_e_be:Cu-O-S-Sc-Sr,14.0,A2B5C2D2E3_tI28_139_d_ag_e_e_be:Cu-O-S-Sc-Sr +mp-17678,Sr(ScS2)2,-6.7062474721,-2.2919287392,0.0,-0.0257380482,GGA,Pnma,A4B2C_oP28_62_4c_2c_c:S-Sc-Sr,28.0,A4B2C_oP28_62_4c_2c_c:S-Sc-Sr +mp-651806,InRe2C10ClO10,-8.1759007501,-1.0407833835,0.2304571125,0.2304571125,GGA,P2_1/c,A10BCD10E2_mP192_14_20e_2e_2e_20e_4e:C-Cl-In-O-Re,192.0,"Invalid WP multiplicities - A10BCD10E2_mP192_14_75e_5e_4e_78e_13e:C-Cl-In-O-Re, expected In4Re13C75Cl5O78 to be InRe2C10ClO10" +mp-648163,ReC5ClO5,-8.1845308865,-1.0870446478,0.1775127167,0.1775127167,GGA,Pnma,A5BC5D_oP48_62_c2d_c_c2d_c:C-Cl-O-Re,48.0,"Invalid WP multiplicities - A5BC5D_oP48_62_3c12d_c_3c12d_c:C-Cl-O-Re, expected ReC27ClO27 to be ReC5ClO5" +mp-1204665,Re2C3(ClO2)3,-7.223780103,-0.952294882,0.5509629620000001,0.5509629620000001,GGA,Pna2_1,A3B3C6D2_oP56_33_3a_3a_6a_2a:C-Cl-O-Re,56.0,A3B3C6D2_oP56_33_3a_3a_6a_2a:C-Cl-O-Re +mp-1522015,NaSrLaWO6,-7.843570431,-2.7849415961,0.1520062879,0.1520062879,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:La-Na-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:La-Na-O-Sr-W +mp-1516668,NaSrLaWO6,-7.868892506,-2.8102636711,0.1266842129,0.1266842129,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:La-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:La-Na-O-Sr-W +mp-1518158,CaEuNbWO6,-9.289103736,-2.7888868143,0.185603507,0.185603507,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Eu-Nb-O-W +mp-1233890,Rb2Pr2Mg(WO4)4,-8.300612286,-2.5365042858,0.1193757051,0.1193757051,GGA+U,P1,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Mg-O-Pr-Rb-W,25.0,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Mg-O-Pr-Rb-W +mp-1234646,Rb2Pr2Mg(WO4)4,-8.349226082,-2.5851180818,0.0707619091,0.0707619091,GGA+U,P1,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Mg-O-Pr-Rb-W,25.0,AB16C2D2E4_aP25_1_a_16a_2a_2a_4a:Mg-O-Pr-Rb-W +mp-1233277,Rb2Pr2Mg(WO4)4,-8.3239294228,-2.5598214226,0.0960585683,0.0960585683,GGA+U,C2,AB16C2D2E4_mC50_5_a_8c_ab_ab_2c:Mg-O-Pr-Rb-W,25.0,"Invalid WP multiplicities - AB16C2D2E4_mC50_5_a_16c_ab_ab_4c:Mg-O-Pr-Rb-W, expected Rb2Pr2Mg(WO4)8 to be Rb2Pr2Mg(WO4)4" +mp-1233364,Rb2Pr2Mg(WO4)4,-8.321527482,-2.5574194818,0.0984605091,0.0984605091,GGA+U,C2,AB16C2D2E4_mC50_5_a_8c_ab_ab_2c:Mg-O-Pr-Rb-W,25.0,"Invalid WP multiplicities - AB16C2D2E4_mC50_5_a_16c_ab_ab_4c:Mg-O-Pr-Rb-W, expected Rb2Pr2Mg(WO4)8 to be Rb2Pr2Mg(WO4)4" +mp-1044743,PrMg(WO3)2,-8.6877614335,-2.4900035803,0.1746387954,0.1746387954,GGA+U,Pc,AB6CD2_mP20_7_a_6a_a_2a:Mg-O-Pr-W,20.0,"Invalid WP multiplicities - AB6CD2_mP20_7_a_12a_a_4a:Mg-O-Pr-W, expected PrMg(WO3)4 to be PrMg(WO3)2" +mp-1235030,LiEuYO2,-8.153864884,-2.4487102435,0.1650542332,0.1650542332,GGA,Cm,ABC2D_mC10_8_a_a_2a_a:Eu-Li-O-Y,5.0,ABC2D_mC10_8_a_a_2a_a:Eu-Li-O-Y +mp-1236054,LiEuYO2,-8.133361308,-2.4282066675,0.1855578092,0.1855578092,GGA,Cm,ABC2D_mC10_8_a_a_2a_a:Eu-Li-O-Y,5.0,ABC2D_mC10_8_a_a_2a_a:Eu-Li-O-Y +mp-1235455,LiEuYO2,-7.57848652,-1.8733318795,0.7404325972,0.7404325972,GGA,C2/m,ABC2D_mC10_12_c_a_i_b:Eu-Li-O-Y,5.0,ABC2D_mC10_12_c_b_i_a:Eu-Li-O-Y +mp-1096069,Ba2NaIn,-0.99797659,0.9800631359,1.2064792606,1.2064792606,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-In-Na,4.0,A2BC_oI8_71_e_a_b:Ba-In-Na +mp-1183273,Ba2NaIn,-2.190749615,-0.2127098891,0.0137062356,0.0137062356,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-In-Na,4.0,A2BC_cF16_225_c_a_b:Ba-In-Na +mp-677179,BaNaIn2(PO4)3,-7.1220710097,-2.6828583914,0.0175954192,0.0175954192,GGA,P2_13,AB2CD12E3_cP76_198_a_2a_a_4b_b:Ba-In-Na-O-P,76.0,"Invalid WP multiplicities - AB2CD12E3_cP76_198_a_5a_a_45b_b:Ba-In-Na-O-P, expected BaNaIn5(PO45)3 to be BaNaIn2(PO4)3" +mp-20147,ZrMnP,-8.7446144442,-1.0369416346,0.0,-0.0983932803,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-P-Zr,12.0,ABC_oP12_62_c_c_c:Mn-P-Zr +mp-1196264,Zr2Mn4P3,-8.6461729494,-0.8702429552000001,0.0,-0.0076579448,GGA,P-62m,A4B3C2_hP36_189_agjk_2fk_cfg:Mn-P-Zr,36.0,A4B3C2_hP36_189_agjk_2fk_cfg:Mn-P-Zr +mp-1213813,Cs2ZrMn(PO4)3,-7.8286918993,-2.8233922824,0.0059289633,0.0059289633,GGA+U,P2_13,A2BC12D3E_cP76_198_2a_a_4b_b_a:Cs-Mn-O-P-Zr,76.0,A2BC12D3E_cP76_198_2a_a_4b_b_a:Cs-Mn-O-P-Zr +mp-705889,Cs4Zr3Mn(PO4)6,-7.9306616325,-2.9415281909,0.043486183,0.043486183,GGA+U,P2_1,A4BC24D6E3_mP76_4_4a_a_24a_6a_3a:Cs-Mn-O-P-Zr,76.0,"Invalid WP multiplicities - A4BC24D6E3_mP76_4_6a_a_46a_10a_4a:Cs-Mn-O-P-Zr, expected Cs6Zr4Mn(P5O23)2 to be Cs4Zr3Mn(PO4)6" +mp-1233924,MgCr2Cu2(WO4)4,-8.3761556504,-1.9727825052,0.5354420091000001,0.5354420091000001,GGA+U,C2,A2B2CD16E4_mC50_5_ab_ab_a_8c_2c:Cr-Cu-Mg-O-W,25.0,"Invalid WP multiplicities - A2B2CD16E4_mC50_5_ab_ab_a_16c_4c:Cr-Cu-Mg-O-W, expected MgCr2Cu2(WO4)8 to be MgCr2Cu2(WO4)4" +mp-1234839,MgCr2Cu2(WO4)4,-8.3552901484,-1.9519170032,0.5563075111,0.5563075111,GGA+U,C2,A2B2CD16E4_mC50_5_ab_ab_a_8c_2c:Cr-Cu-Mg-O-W,25.0,"Invalid WP multiplicities - A2B2CD16E4_mC50_5_ab_ab_a_16c_4c:Cr-Cu-Mg-O-W, expected MgCr2Cu2(WO4)8 to be MgCr2Cu2(WO4)4" +mp-1517349,SrEuFeWO6,-8.853929087000001,-2.5484511909,0.0631294847,0.0631294847,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Fe-O-Sr-W +mp-1522440,SrCaHfVO6,-8.507585594,-3.2659535239,0.1155247099,0.1155247099,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Hf-O-Sr-V +mp-2241258,MgCo3NiO8,-6.5232493131,-1.2710277896,0.1632531536,0.1632531536,GGA+U,P1,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Ni-O,13.0,A3BCD8_aP13_1_3a_a_a_8a:Co-Mg-Ni-O +mp-2219451,MgCo3NiO8,-6.5711920238,-1.3189705004,0.1153104428,0.1153104428,GGA+U,P-1,A3BCD8_aP13_2_acd_b_g_4i:Co-Mg-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_acd_b_g_7i:Co-Mg-Ni-O, expected MgCo3NiO14 to be MgCo3NiO8" +mp-2226703,MgCo3NiO8,-6.6072003269,-1.3549788035,0.0793021397,0.0793021397,GGA+U,Cm,A3BCD8_mC26_8_ab_a_a_4a2b:Co-Mg-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_ab_a_a_4a4b:Co-Mg-Ni-O, expected MgCo3NiO12 to be MgCo3NiO8" +mp-2224763,MgCo3NiO8,-6.5840529969,-1.3318314735,0.1024494697,0.1024494697,GGA+U,C2/m,A3BCD8_mC26_12_be_c_a_2ij:Co-Mg-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_aP13_2_cde_b_a_7i:Co-Mg-Ni-O, expected MgCo3NiO14 to be MgCo3NiO8" +mp-2219095,MgCo3NiO8,-6.5670008554,-1.3147793319,0.1195016112,0.1195016112,GGA+U,R3m,A3BCD8_hR39_160_b_a_a_2a2b:Co-Mg-Ni-O,13.0,A3BCD8_hR39_160_b_a_a_2a2b:Co-Mg-Ni-O +mp-2218822,MgCo3NiO8,-6.6406571938,-1.3884356704,0.0458452728,0.0458452728,GGA+U,R-3m,A3BCD8_hR39_166_d_b_a_ch:Co-Mg-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_hR39_166_d_b_a_2c3h:Co-Mg-Ni-O, expected MgCo3NiO22 to be MgCo3NiO8" +mp-2219051,MgCo3NiO8,-6.6412001962,-1.3889786727,0.0453022705,0.0453022705,GGA+U,R-3m,A3BCD8_hR39_166_d_a_b_ch:Co-Mg-Ni-O,13.0,"Invalid WP multiplicities - A3BCD8_hR39_166_d_a_b_c2h:Co-Mg-Ni-O, expected MgCo3NiO14 to be MgCo3NiO8" +mp-2226480,MgCo(NiO2)4,-6.4131312364,-1.3129416468,0.0663945863,0.0663945863,GGA+U,P-1,ABC4D8_aP14_2_a_b_cdef_4i:Co-Mg-Ni-O,14.0,ABC4D8_aP14_2_a_b_cdef_4i:Co-Mg-Ni-O +mp-2241471,MgCo(NiO2)4,-6.298307395,-1.1981178054,0.1812184277,0.1812184277,GGA+U,Cm,ABC4D8_mC28_8_a_a_2ab_4a2b:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_8_a_a_2a2b_4a4b:Co-Mg-Ni-O, expected MgCo(NiO2)6 to be MgCo(NiO2)4" +mp-2242240,MgCo(NiO2)4,-6.3533969557,-1.2532073661,0.126128867,0.126128867,GGA+U,Cm,ABC4D8_mC28_8_a_a_2ab_4a2b:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_8_a_a_2a2b_4a4b:Co-Mg-Ni-O, expected MgCo(NiO2)6 to be MgCo(NiO2)4" +mp-2226514,MgCo(NiO2)4,-6.3316863971,-1.2314968075,0.1478394256,0.1478394256,GGA+U,C2/m,ABC4D8_mC28_12_a_d_bce_2ij:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - ABC4D8_mC28_12_c_b_ad2e_2i2j:Co-Mg-Ni-O, expected MgCo(NiO2)6 to be MgCo(NiO2)4" +mp-1044011,MgCo2(PO5)2,-7.0818271587,-2.0077999743,0.1419592064,0.1419592064,GGA+U,Fddd,A2BC10D2_oF120_70_c_b_e2h_e:Co-Mg-O-P,30.0,"Invalid WP multiplicities - A2BC10D2_oF120_70_c_b_2e8h_e:Co-Mg-O-P, expected MgCo2(PO18)2 to be MgCo2(PO5)2" +mp-1046667,MgCoPO5,-7.1948039275,-2.337885939,0.1172257834,0.1172257834,GGA+U,P-1,ABC5D_aP16_2_ab_i_5i_i:Co-Mg-O-P,16.0,ABC5D_mC32_15_c_e_e2f_e:Co-Mg-O-P +mp-1102283,Mg(Co3P2)2,-6.2922122191,-0.3009943239,0.33399395,0.3181583979,GGA,Amm2,A6BC4_oC22_38_abde_a_abe:Co-Mg-P,11.0,"Invalid WP multiplicities - A6BC4_oC22_38_ab2d2e_a_ab2e:Co-Mg-P, expected Mg(Co5P3)2 to be Mg(Co3P2)2" +mp-10924,Mg(Co3P2)2,-6.6262061691,-0.6349882739,0.0,-0.0158355521,GGA,P-6m2,A6BC4_hP11_187_jk_a_ck:Co-Mg-P,11.0,"Invalid WP multiplicities - A6BC4_hP11_187_j2k_a_c2k:Co-Mg-P, expected MgCo9P7 to be Mg(Co3P2)2" +mp-2218683,MgCo2(PO4)2,-7.4577689169,-2.3641511982,0.1137139515,0.0998793828,GGA+U,P1,A2BC8D2_aP13_1_2a_a_8a_2a:Co-Mg-O-P,13.0,A2BC8D2_aP13_1_2a_a_8a_2a:Co-Mg-O-P +mp-1041071,MgCo2(PO4)2,-7.5053833196,-2.4117656009,0.0660995488,0.0522649801,GGA+U,C2/c,A2BC8D2_mC104_15_aef_f_8f_2f:Co-Mg-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mC104_15_2ae2f_f_30f_6f:Co-Mg-O-P, expected Mg2Co7(PO5)12 to be MgCo2(PO4)2" +mp-2218426,MgCo2(PO4)2,-7.1648439846,-2.0712262659,0.4066388838,0.3928043151,GGA+U,C2/m,A2BC8D2_mC26_12_ac_b_2ij_i:Co-Mg-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_bc_a_4i3j_i:Co-Mg-O-P, expected MgCo2(PO10)2 to be MgCo2(PO4)2" +mp-1222089,MgCo2(PO4)2,-7.5714828685,-2.4778651497,0.0,-0.0138345687,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Co-Mg-O-P,26.0,A2BC8D2_mP26_14_e_a_4e_e:Co-Mg-O-P +mp-2218463,MgCo2(PO4)2,-7.4019397646,-2.3083220459,0.1695431038,0.1557085351,GGA+U,Amm2,A2BC8D2_oC26_38_c_a_2cde_ab:Co-Mg-O-P,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_c_a_3c2d2e_ab:Co-Mg-O-P, expected MgCo2(PO7)2 to be MgCo2(PO4)2" +mp-10922,Mg2Co12P7,-6.6440916762,-0.6253540006,0.0,-0.0420976009,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Co-Mg-P,21.0,"Invalid WP multiplicities - A12B2C7_hP21_174_2j3k_ad_ejk:Co-Mg-P, expected Mg2Co15P7 to be Mg2Co12P7" +mp-1037175,Mg30CoNiO32,-6.3649252377,-2.9400675074,0.0027046653,0.0027046653,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Co-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Co-Mg-Ni-O, expected Mg110CoNiO72 to be Mg30CoNiO32" +mp-1037189,Mg30CoNiO32,-6.3522357717,-2.9273780415,0.0153941312,0.0153941312,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Co-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Co-Mg-Ni-O, expected Mg90CoNiO80 to be Mg30CoNiO32" +mp-1043564,MgCo3(P2O7)2,-7.5581904457,-2.3840047448,0.0611316981,0.0611316981,GGA+U,P2_1/c,A3BC14D4_mP44_14_ae_b_7e_2e:Co-Mg-O-P,44.0,A3BC14D4_mP44_14_ae_b_7e_2e:Co-Mg-O-P +mp-1043158,MgCoNiP2O9,-7.1764702425,-2.1882175325,0.0928579879,0.0928579879,GGA+U,P2_1/m,ABCD9E2_mP56_11_2e_2e_ad_10e4f_4e:Co-Mg-Ni-O-P,56.0,"Invalid WP multiplicities - ABCD9E2_mP56_11_2e_4e_2ab_10e8f_4e:Co-Mg-Ni-O-P, expected Mg4Co2Ni3(P2O13)2 to be MgCoNiP2O9" +mp-2217551,MgCoP2O7,-7.4360438573,-2.5122235084,0.1185808944,0.1185808944,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Co-Mg-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Co-Mg-O-P +mp-1369942,MgCoP2O7,-7.5193826295,-2.5955622807000003,0.0352421222,0.0352421222,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Co-Mg-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Co-Mg-O-P +mp-1042011,MgCoP2O7,-7.5323845741,-2.6085642253,0.0222401776,0.0222401776,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Co-Mg-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Co-Mg-O-P +mp-2217543,MgCoP2O7,-7.5209911864,-2.5971708375,0.0336335653,0.0336335653,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Co-Mg-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Co-Mg-O-P, expected MgCoP2O11 to be MgCoP2O7" +mp-2240147,MgCoP2O7,-7.4213971436,-2.4975767948,0.1332276081,0.1332276081,GGA+U,C2,ABC7D2_mC22_5_b_a_a3c_c:Co-Mg-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_b_a_a5c_c:Co-Mg-O-P, expected MgCoP2O11 to be MgCoP2O7" +mp-1048235,MgCoP2O7,-7.5417040257,-2.6178836769,0.012920726,0.012920726,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Co-Mg-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Co-Mg-O-P, expected MgCoP7O23 to be MgCoP2O7" +mp-2228285,MgCo2NiO6,-6.46083795,-1.3331194912,0.2046395023,0.2046395023,GGA+U,P1,A2BCD6_aP10_1_2a_a_a_6a:Co-Mg-Ni-O,10.0,"Invalid WP multiplicities - A2BCD6_aP10_2_i_a_c_6i:Co-Mg-Ni-O, expected MgCo2NiO12 to be MgCo2NiO6" +mp-2217082,MgCo2NiO6,-6.495668023,-1.3679495643,0.1698094293,0.1698094293,GGA+U,Cm,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Ni-O,10.0,A2BCD6_mC20_8_2a_a_a_6a:Co-Mg-Ni-O +mp-2217107,MgCo2NiO6,-6.580804001,-1.4530855422,0.0846734513,0.0846734513,GGA+U,C2/m,A2BCD6_mC20_12_i_a_c_3i:Co-Mg-Ni-O,10.0,"Invalid WP multiplicities - A2BCD6_mC20_12_i_a_d_6i:Co-Mg-Ni-O, expected MgCo2NiO12 to be MgCo2NiO6" +mp-2232265,MgCo2(NiO2)4,-6.507370436,-1.2733056327,0.23891092,0.23891092,GGA+U,C2,A2BC4D8_mC30_5_c_a_abc_4c:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_mC30_5_c_a_abc_7c:Co-Mg-Ni-O, expected MgCo2(Ni2O7)2 to be MgCo2(NiO2)4" +mp-2225002,MgCo2(NiO2)4,-6.4284057913,-1.194340988,0.3178755647,0.3178755647,GGA+U,Imm2,A2BC4D8_oI30_44_ab_a_cd_2c2d:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_ab_a_2cd_4c4d:Co-Mg-Ni-O, expected MgCo2(Ni3O8)2 to be MgCo2(NiO2)4" +mp-2232275,MgCo2(NiO2)4,-6.0923152627,-0.8582504593,0.6539660933,0.6539660933,GGA+U,F-43m,A2BC4D8_cF60_216_ac_b_e_2e:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_oF60_22_ac_b_k_4k:Co-Mg-Ni-O, expected MgCo2(NiO4)4 to be MgCo2(NiO2)4" +mp-1233348,MgCo4(P2O7)4,-7.3771377034,-2.2101314791,0.0771526307,0.0771526307,GGA+U,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P +mp-1233561,MgCo4(P2O7)4,-7.3774406527,-2.2104344283,0.0768496814,0.0768496814,GGA+U,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P +mp-1233685,MgCo4(P2O7)4,-7.3578234846,-2.1908172603,0.0964668495,0.0964668495,GGA+U,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P +mp-2220265,MgCo4(P2O7)4,-7.3433089383,-2.1763027139,0.1109813958,0.1109813958,GGA+U,P1,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P,41.0,A4BC28D8_aP41_1_4a_a_28a_8a:Co-Mg-O-P +mp-1035281,Mg14CoNiO16,-6.4000468266,-2.8238157467,0.0076882993,0.0076882993,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Co-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Co-Mg-Ni-O, expected Mg18CoNiO20 to be Mg14CoNiO16" +mp-1035300,Mg14CoNiO16,-6.3724782756,-2.7962471958,0.0352568502,0.0352568502,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Co-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Co-Mg-Ni-O, expected Mg30CoNiO32 to be Mg14CoNiO16" +mp-1233206,MgCo5(P2O7)4,-7.4214082386,-2.2081803102,0.1145995864,0.1145995864,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1233392,MgCo5(P2O7)4,-7.4432556502,-2.2300277218,0.0927521748,0.0927521748,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1234455,MgCo5(P2O7)4,-7.4009362774,-2.187708349,0.1350715476,0.1350715476,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1234457,MgCo5(P2O7)4,-7.420693905,-2.2074659766,0.11531392,0.11531392,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1234973,MgCo5(P2O7)4,-7.446122854,-2.2328949256,0.089884971,0.089884971,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1234990,MgCo5(P2O7)4,-7.4446570086,-2.2314290802,0.0913508164,0.0913508164,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1235010,MgCo5(P2O7)4,-7.4653376836,-2.2521097552,0.0706701414,0.0706701414,GGA+U,P1,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P,42.0,A5BC28D8_aP42_1_5a_a_28a_8a:Co-Mg-O-P +mp-1233537,MgCo5(P2O7)4,-7.458432431,-2.2452045025,0.077575394,0.077575394,GGA+U,P-1,A5BC28D8_aP42_2_a2i_b_14i_4i:Co-Mg-O-P,42.0,"Invalid WP multiplicities - A5BC28D8_aP42_2_a4i_b_27i_7i:Co-Mg-O-P, expected MgCo9(P7O27)2 to be MgCo5(P2O7)4" +mp-2234608,MgCo4(PO3)12,-7.5530870104,-2.400747861,0.0315889467,0.0315889467,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P +mp-2235138,MgCo4(PO3)12,-7.5115492523,-2.3592101029,0.0731267049,0.0731267049,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P +mp-2234288,MgCo4(PO3)12,-7.5057531472,-2.3534139978,0.07892281,0.07892281,GGA+U,P1,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P,53.0,A4BC36D12_aP53_1_4a_a_36a_12a:Co-Mg-O-P +mp-2232368,MgCo4(NiO4)2,-6.6972737893000005,-1.2861181707,0.2499971372,0.2499971372,GGA+U,C2/m,A4BC2D8_mC30_12_aci_b_e_2ij:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_12_bc2i_a_e_4i3j:Co-Mg-Ni-O, expected MgCo6(NiO10)2 to be MgCo4(NiO4)2" +mp-2232425,MgCo4(NiO4)2,-6.5626898373,-1.1515342187,0.3845810892,0.3845810892,GGA+U,C2/m,A4BC2D8_mC30_12_ei_b_ac_2ij:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_mC30_12_f2i_b_ac_3i4j:Co-Mg-Ni-O, expected MgCo6(NiO11)2 to be MgCo4(NiO4)2" +mp-2232273,MgCo4(NiO4)2,-6.6029758367,-1.191820218,0.3442950899,0.3442950899,GGA+U,Imm2,A4BC2D8_oI30_44_abc_a_d_2c2d:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_oI30_44_abc_a_d_4c4d:Co-Mg-Ni-O, expected MgCo4(NiO8)2 to be MgCo4(NiO4)2" +mp-2240871,MgCo4(NiO4)2,-6.3120089413,-0.9008533227,0.6352619852,0.6352619852,GGA+U,Imm2,A4BC2D8_oI30_44_abc_a_d_2c2d:Co-Mg-Ni-O,15.0,"Invalid WP multiplicities - A4BC2D8_oI30_44_abc_a_d_4c4d:Co-Mg-Ni-O, expected MgCo4(NiO8)2 to be MgCo4(NiO4)2" +mp-2228560,MgCo4NiO8,-6.7132326107,-1.3284327821,0.2301083525,0.2301083525,GGA+U,P-1,A4BCD8_aP14_2_abcd_h_e_4i:Co-Mg-Ni-O,14.0,"Invalid WP multiplicities - A4BCD8_aP14_2_abcd_h_e_7i:Co-Mg-Ni-O, expected MgCo4NiO14 to be MgCo4NiO8" +mp-769478,Li4Ti4V4CoO18,-8.2875345679,-2.7487604256,0.0988893523,0.0988893523,GGA+U,Pbam,AB4C18D4E4_oP62_55_a_2g_4g5h_gh_gh:Co-Li-O-Ti-V,62.0,"Invalid WP multiplicities - AB4C18D4E4_oP62_55_a_5g_12g20h_3g2h_3g2h:Co-Li-O-Ti-V, expected Li10Ti10V10CoO64 to be Li4Ti4V4CoO18" +mp-777010,Li4Ti3V3(CoO8)2,-8.0330478979,-2.6067071587,0.0997097671,0.0997097671,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Ti-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Ti-V +mp-776174,Li4Ti3V3(CoO8)2,-7.9965646632,-2.570223924,0.1361930018,0.1361930018,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Co-Li-O-Ti-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Ti-V +mp-770621,Li4Ti3V2Co3O16,-7.8283046368,-2.4725206217,0.096025191,0.096025191,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Co-Li-O-Ti-V,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Co-Li-O-Ti-V +mp-1522343,NaSrSbWO6,-7.205149136,-2.2272208876,0.1712007371,0.1712007371,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sb-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Na-O-Sb-Sr-W +mp-756743,Li3CrClO4,-6.1847311589,-2.0719414283,0.0277093435,0.0277093435,GGA+U,P4/nmm,ABC3D4_tP18_129_c_a_ce_i:Cl-Cr-Li-O,18.0,"Invalid WP multiplicities - ABC3D4_tP18_129_c_a_2c2e_i:Cl-Cr-Li-O, expected Li6CrClO4 to be Li3CrClO4" +mp-734071,Li2Cr2H4O9,-6.38656583,-1.6092103444,0.0704353268,0.0704353268,GGA+U,Cc,A2B4C2D9_mC68_9_2a_4a_2a_9a:Cr-H-Li-O,34.0,A2B4C2D9_mC68_9_2a_4a_2a_9a:Cr-H-Li-O +mp-696441,Li2Cr2H4O9,-6.4471032865,-1.6697478009000002,0.0098978703,0.0098978703,GGA+U,C2/c,A2B4C2D9_mC68_15_f_2f_ce_e4f:Cr-H-Li-O,34.0,A2B4C2D9_mC68_15_f_2f_ae_e4f:Cr-H-Li-O +mp-778388,Li9Cr2(H9O7)3,-5.4979071882,-1.5662043596,0.0503086385,0.0503086385,GGA+U,P-1,A2B27C9D21_aP118_2_2i_27i_9i_21i:Cr-H-Li-O,118.0,"Invalid WP multiplicities - A2B27C9D21_aP118_2_3i_53i_17i_41i:Cr-H-Li-O, expected Li17Cr3H53O41 to be Li9Cr2(H9O7)3" +mp-685992,Li2CrCl4,-4.7413200489000005,-1.7606000713,0.0678098868,0.0678098868,GGA,P1,A4BC2_aP28_1_16a_4a_8a:Cl-Cr-Li,28.0,A4BC2_aP28_1_16a_4a_8a:Cl-Cr-Li +mp-567474,Li2CrCl4,-4.7589619771,-1.7782419995,0.0501679586,0.0501679586,GGA,C2/m,A4BC2_mC14_12_gi_a_f:Cl-Cr-Li,7.0,"Invalid WP multiplicities - A4BC2_mC14_12_2g2i_a_e:Cl-Cr-Li, expected Li2CrCl8 to be Li2CrCl4" +mp-29582,Li2CrCl4,-4.7697222007,-1.7890022231,0.039407735,0.039407735,GGA,C2/c,A4BC2_mC28_15_2f_c_ae:Cl-Cr-Li,14.0,"Invalid WP multiplicities - A4BC2_mC28_15_3f_a_ce:Cl-Cr-Li, expected Li2CrCl6 to be Li2CrCl4" +mp-23361,Li5CrCl8,-4.3979938829,-1.9704256626,0.0114316014,0.0114316014,GGA,Cmmm,A8BC5_oC28_65_ghn_a_dm:Cl-Cr-Li,14.0,"Invalid WP multiplicities - A8BC5_oC28_65_2g2h2n_a_dm:Cl-Cr-Li, expected Li5CrCl16 to be Li5CrCl8" +mp-505245,Li2Cr(H2O3)2,-6.0608262185,-1.6976008607000002,0.0189631778,0.0189631778,GGA+U,P2_12_12_1,AB4C2D6_oP52_19_a_4a_2a_6a:Cr-H-Li-O,52.0,AB4C2D6_oP52_19_a_4a_2a_6a:Cr-H-Li-O +mp-770676,Li2CrH8Cl5O4,-4.9615796315,-1.4794726461,0.0409648096,0.0409648096,GGA+U,C2/c,A5BC8D2E4_mC80_15_e2f_a_4f_f_2f:Cl-Cr-H-Li-O,40.0,"Invalid WP multiplicities - A5BC8D2E4_mC80_15_2e5f_a_13f_f_5f:Cl-Cr-H-Li-O, expected Li2CrH26(Cl6O5)2 to be Li2CrH8Cl5O4" +mp-1519512,SrCrInWO6,-7.929182812,-2.2559340969,0.1631885901,0.1631885901,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Cr-In-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Cr-In-O-Sr-W +mp-1517586,KLaFeSnO6,-7.041178601,-2.2205654626,0.1483663993,0.1483663993,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sn +mp-582882,Cu2P2PbO8,-6.7921729604,-1.999005644,0.0452607127,0.0452607127,GGA,Pccn,A2B8C2D_oP104_56_2e_8e_cde_e:Cu-O-P-Pb,104.0,"Invalid WP multiplicities - A2B8C2D_oP104_56_11e_58e_3c4d5e_e:Cu-O-P-Pb, expected Cu22P17(PbO58)2 to be Cu2P2PbO8" +mp-21533,CuP2PbO7,-7.0867163809,-2.2444182234,0.0,-0.02026365,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-P-Pb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cu-O-P-Pb +mp-729015,CrCuPPb2O9,-6.901322342,-1.8219616857,0.3259099977,0.3259099977,GGA+U,P2_1/c,ABC9DE2_mP56_14_e_ac_9e_e_2e:Cr-Cu-O-P-Pb,56.0,ABC9DE2_mP56_14_e_ac_9e_e_2e:Cr-Cu-O-P-Pb +mp-1196903,Cr2P4Pb3O16,-7.7353485872,-2.4855779649,0.000440064,-0.024063715,GGA+U,P2_1/c,A2B16C4D3_mP50_14_e_8e_2e_ae:Cr-O-P-Pb,50.0,A2B16C4D3_mP50_14_e_8e_2e_ae:Cr-O-P-Pb +mp-704115,Cr2P4Pb3O16,-7.7357886512,-2.4860180289,0.0,-0.024503779,GGA+U,P4_12_12,A2B16C4D3_tP100_92_b_8b_2b_ab:Cr-O-P-Pb,100.0,"Invalid WP multiplicities - A2B16C4D3_tP100_92_b_55b_12b_4a4b:Cr-O-P-Pb, expected CrP12Pb6O55 to be Cr2P4Pb3O16" +mp-554745,CrP2Pb5O13,-7.014267071,-2.0928460672,0.0,-0.0002022998,GGA+U,Pnma,AB13C2D5_oP84_62_c_3c5d_d_3cd:Cr-O-P-Pb,84.0,"Invalid WP multiplicities - AB13C2D5_oP84_62_c_10c35d_d_9c4d:Cr-O-P-Pb, expected CrP2Pb17O80 to be CrP2Pb5O13" +mp-1202993,Cu3P4Pb3O16,-6.8936547644,-2.1153551249,0.0025582033,0.0025582033,GGA,C2/c,A3B16C4D3_mC104_15_cf_8f_2f_ef:Cu-O-P-Pb,52.0,A3B16C4D3_mC104_15_cf_8f_2f_ef:Cu-O-P-Pb +mp-1215341,ZrCu(PO6)2,-6.8956694856,-1.7185584326,0.3541963681,0.3541963681,GGA,P-1,AB12C2D_aP16_2_b_6i_i_e:Cu-O-P-Zr,16.0,AB12C2D_aP16_2_b_6i_i_e:Cu-O-P-Zr +mp-1100802,Zr8MnCu2(PO4)12,-8.5162580156,-3.0494591157,0.0015989849,0.0015989849,GGA+U,P-1,A2BC48D12E8_aP71_2_i_a_24i_6i_4i:Cu-Mn-O-P-Zr,71.0,"Invalid WP multiplicities - A2BC48D12E8_aP71_2_i_a_48i_10i_8i:Cu-Mn-O-P-Zr, expected Zr16MnCu2(P5O24)4 to be Zr8MnCu2(PO4)12" +mp-706661,UTi22Fe18PbO76,-8.2225123923,-2.1452784492,0.6205823572,0.6205823572,GGA+U,P1,A18B76CD22E_aP118_1_18a_76a_a_22a_a:Fe-O-Pb-Ti-U,118.0,A18B76CD22E_aP118_1_18a_76a_a_22a_a:Fe-O-Pb-Ti-U +mp-1216898,UTiFe,-9.25568043,-0.0367060178,0.2438474167,0.2438474167,GGA,Imma,ABC_oI12_74_a_c_e:Fe-Ti-U,6.0,ABC_oI12_74_a_c_e:Fe-Ti-U +mp-1098341,KMg30TiO32,-6.3447376558,-2.9805449804,0.0578589151,0.0578589151,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:K-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:K-Mg-O-Ti, expected KMg90TiO80 to be KMg30TiO32" +mp-1098343,KMg30TiO32,-6.3376271036,-2.9734344282,0.0649694673,0.0649694673,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:K-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:K-Mg-O-Ti, expected KMg110TiO72 to be KMg30TiO32" +mp-1021388,KLaMg6,-1.7808922731,0.1751185209,0.2490078255,0.2490078255,GGA,Amm2,ABC6_oC16_38_a_a_2bde:K-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:K-La-Mg, expected KLaMg12 to be KLaMg6" +mp-1021420,KLaMg6,-1.7852519769,0.1707588171,0.2446481218,0.2446481218,GGA,Amm2,ABC6_oC16_38_a_b_abde:K-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:K-La-Mg, expected KLaMg12 to be KLaMg6" +mp-1040324,KLaMg30O32,-6.2778007781,-2.9598500545,0.0914653356,0.0914653356,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:K-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:K-La-Mg-O, expected KLaMg110O72 to be KLaMg30O32" +mp-1040346,KLaMg30O32,-6.2658681967,-2.9479174731,0.103397917,0.103397917,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:K-La-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:K-La-Mg-O, expected KLaMg90O80 to be KLaMg30O32" +mp-2226988,K2MgTi2O5,-7.073902397,-2.6393518436,0.214542486,0.214542486,GGA,Cm,A2BC5D2_mC20_8_2a_a_5a_2a:K-Mg-O-Ti,10.0,A2BC5D2_mC20_8_2a_a_5a_2a:K-Mg-O-Ti +mp-2240669,K2MgTi2O5,-7.065490247,-2.6309396936,0.222954636,0.222954636,GGA,Cm,A2BC5D2_mC20_8_2a_a_5a_2a:K-Mg-O-Ti,10.0,A2BC5D2_mC20_8_2a_a_5a_2a:K-Mg-O-Ti +mp-2239919,K2MgTi2O5,-7.099386433,-2.6648358796,0.18905845,0.18905845,GGA,C2/m,A2BC5D2_mC20_12_i_a_c2i_i:K-Mg-O-Ti,10.0,A2BC5D2_mC20_12_i_a_d2i_i:K-Mg-O-Ti +mp-1099108,KLaMg14,-1.6694579519,0.1086874701,0.1544276217,0.1544276217,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:K-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:K-La-Mg, expected KLaMg18 to be KLaMg14" +mp-1026382,KLaMg14,-1.6890150131,0.0891304089,0.1348705605,0.1348705605,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:K-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:K-La-Mg, expected KLaMg26 to be KLaMg14" +mp-2231066,K8MgTi2O8,-5.6279312226,-2.1622488358,0.1746897113,0.1746897113,GGA,C2/m,A8BC8D2_mC38_12_ghj_a_2ij_i:K-Mg-O-Ti,19.0,"Invalid WP multiplicities - A8BC8D2_mC38_12_2g2hj_a_4i2j_i:K-Mg-O-Ti, expected K12MgTi2O16 to be K8MgTi2O8" +mp-2230251,K8MgTi2O8,-5.5820202358,-2.116337849,0.2206006981,0.2206006981,GGA,Amm2,A8BC8D2_oC38_38_def_a_2cde_ab:K-Mg-O-Ti,19.0,"Invalid WP multiplicities - A8BC8D2_oC38_38_2de2f_a_2c2d2e_ab:K-Mg-O-Ti, expected K14MgTi2O12 to be K8MgTi2O8" +mp-1031339,KMg6TiO8,-6.3096954294,-2.6733778698,0.3181168141,0.3181168141,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:K-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:K-Mg-O-Ti, expected KMg6TiO12 to be KMg6TiO8" +mp-1031348,KMg6TiO8,-6.3109687606,-2.674651201,0.3168434828,0.3168434828,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:K-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:K-Mg-O-Ti, expected KMg6TiO12 to be KMg6TiO8" +mp-2232184,K2La2MgTi2O8,-7.505045616,-2.9012065575,0.3098953427,0.3098953427,GGA,P-4m2,A2B2CD8E2_tP15_115_g_g_a_ef2g_g:K-La-Mg-O-Ti,15.0,"Invalid WP multiplicities - A2B2CD8E2_tP15_115_g_g_a_2ef2g_g:K-La-Mg-O-Ti, expected K2La2MgTi2O10 to be K2La2MgTi2O8" +mp-2232178,K2La2MgTi2O8,-7.49647071,-2.8926316515,0.3184702487,0.3184702487,GGA,P-4m2,A2B2CD8E2_tP15_115_g_g_a_ef2g_g:K-La-Mg-O-Ti,15.0,"Invalid WP multiplicities - A2B2CD8E2_tP15_115_g_g_a_e2f2g_g:K-La-Mg-O-Ti, expected K2La2MgTi2O10 to be K2La2MgTi2O8" +mp-2220078,K4MgTi2O6,-6.3475561,-2.3850182432,0.2255348178,0.2255348178,GGA,C2,A4BC6D2_mC26_5_2c_a_2a2bc_c:K-Mg-O-Ti,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_5_3c_a_2a2bc_c:K-Mg-O-Ti, expected K6MgTi2O6 to be K4MgTi2O6" +mp-2218877,K4MgTi2O6,-6.3875823446,-2.4250444878,0.1855085732,0.1855085732,GGA,Cm,A4BC6D2_mC26_8_2b_a_2a2b_2a:K-Mg-O-Ti,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_8_2b_a_2a3b_2a:K-Mg-O-Ti, expected K4MgTi2O8 to be K4MgTi2O6" +mp-2233146,K2La2MgTi3O10,-7.8862231761,-3.061420103,0.2376454333,0.2376454333,GGA,I-4m2,A2B2CD10E3_tI36_119_e_e_c_2e3f_ae:K-La-Mg-O-Ti,18.0,"Invalid WP multiplicities - A2B2CD10E3_tI36_119_e_e_c_3e4f_ae:K-La-Mg-O-Ti, expected K2La2MgTi3O14 to be K2La2MgTi3O10" +mp-2232910,K2La2MgTi3O10,-7.8793266161,-3.054523543,0.2445419933,0.2445419933,GGA,I4/mmm,A2B2CD10E3_tI36_139_e_e_a_c2eg_be:K-La-Mg-O-Ti,18.0,"Invalid WP multiplicities - A2B2CD10E3_tI36_139_e_e_a_c3eg_be:K-La-Mg-O-Ti, expected K2La2MgTi3O12 to be K2La2MgTi3O10" +mp-1031330,KLaMg6O8,-6.0698160881,-2.6184663355,0.4246743269,0.4246743269,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:K-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:K-La-Mg-O, expected KLaMg6O12 to be KLaMg6O8" +mp-1031347,KLaMg6O8,-6.1825456131,-2.7311958605,0.3119448019,0.3119448019,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:K-La-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:K-La-Mg-O, expected KLaMg6O12 to be KLaMg6O8" +mp-1026669,KMg14Ti,-1.7919273581,0.1711858709,0.1891371392,0.1891371392,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Ti, expected KMg18Ti to be KMg14Ti" +mp-1026658,KMg14Ti,-1.8122259831,0.1508872459,0.1688385142,0.1688385142,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Ti, expected KMg26Ti to be KMg14Ti" +mp-1099301,KMg6Ti,-2.000050905,0.325895503,0.3412823044,0.3412823044,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Ti,8.0,AB6C_oC16_38_a_abde_b:K-Mg-Ti +mp-1100147,KMg6Ti,-2.068060665,0.257885743,0.2732725444,0.2732725444,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Ti,8.0,AB6C_oC16_38_a_abde_b:K-Mg-Ti +mp-1021423,KMg6Ti,-2.08873637,0.237210038,0.2525968394,0.2525968394,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:K-Mg-Ti,8.0,AB6C_tP8_123_a_fk_c:K-Mg-Ti +mp-1021488,KMg6Ti,-2.05758736,0.268359048,0.2837458494,0.2837458494,GGA,P-6m2,AB6C_hP8_187_a_jk_d:K-Mg-Ti,8.0,AB6C_hP8_187_a_jk_d:K-Mg-Ti +mp-1033998,KLaMg14O16,-6.1891036922,-2.8266866256,0.2219038553,0.2219038553,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:K-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:K-La-Mg-O, expected KLaMg18O20 to be KLaMg14O16" +mp-1033981,KLaMg14O16,-6.21227922,-2.8498621534,0.1987283275,0.1987283275,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:K-La-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:K-La-Mg-O, expected KLaMg30O32 to be KLaMg14O16" +mp-1034191,KMg14TiO16,-6.3374710003,-2.8825700302,0.1401974614,0.1401974614,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:K-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:K-Mg-O-Ti, expected KMg18TiO20 to be KMg14TiO16" +mp-1034178,KMg14TiO16,-6.3275820572,-2.8726810871,0.1500864045,0.1500864045,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:K-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:K-Mg-O-Ti, expected KMg30TiO32 to be KMg14TiO16" +mp-1105354,Ca2FeCuSO3,-6.5626787487,-2.1180607937,0.0673356092,0.0673356092,GGA+U,P4/nmm,A2BCD3E_tP16_129_2c_a_c_cf_c:Ca-Cu-Fe-O-S,16.0,A2BCD3E_tP16_129_2c_a_c_cf_c:Ca-Cu-Fe-O-S +mp-1147536,Ca2Cu(SO)2,-5.6903175657,-1.9365056248,0.2362977175,0.2362977175,GGA,P4/mmm,A2BC2D2_tP7_123_h_a_f_g:Ca-Cu-O-S,7.0,A2BC2D2_tP7_123_h_a_f_g:Ca-Cu-O-S +mp-1200375,Fe2Cu(S2O11)2,-6.076670889,-1.0279743302,0.3578820703,0.3578820703,GGA+U,P2_1/c,AB2C22D4_mP58_14_a_e_11e_2e:Cu-Fe-O-S,58.0,AB2C22D4_mP58_14_a_e_11e_2e:Cu-Fe-O-S +mp-1147722,Ca2CuSO2,-5.5310771733,-1.8410382201,0.5286489094,0.5286489094,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:Ca-Cu-O-S,6.0,A2BC2D_tI12_139_e_a_d_b:Ca-Cu-O-S +mp-1213365,FeCu2(SO4)2,-6.2190305373,-1.2563502316,0.298678895,0.298678895,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Cu-Fe-O-S,26.0,A2BC8D2_mP26_14_e_a_4e_e:Cu-Fe-O-S +mp-1192534,MgVAgO4,-6.9223712804,-2.1647288563,0.0191854711,0.0191854711,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Ag-Mg-O-V,28.0,ABC4D_oP28_62_c_a_2cd_c:Ag-Mg-O-V +mp-1097433,MgAg2Hg,-1.08211884,0.8101492654,0.9541053238,0.9541053238,GGA,Immm,A2BC_oI8_71_e_a_b:Ag-Hg-Mg,4.0,A2BC_oI8_71_e_a_b:Ag-Hg-Mg +mp-2240092,MgAg2(HgO2)2,-4.0438427922,-0.9705641665,0.1057130794,0.1057130794,GGA,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Hg-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Hg-Mg-O +mp-2240506,MgAg2(HgO2)2,-3.9979684889,-0.9246898631,0.1515873828,0.1515873828,GGA,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Hg-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Ag-Hg-Mg-O +mp-1208167,VAg2HgO4,-5.6042591470000005,-1.2493274862,0.0313752398,0.0313752398,GGA+U,I-42d,A2BC4D_tI128_122_2e_e_4e_e:Ag-Hg-O-V,64.0,A2BC4D_tI128_122_2e_e_4e_e:Ag-Hg-O-V +mp-18901,VAgHgO4,-5.98082382,-1.4084099224,0.026552867,0.026552867,GGA+U,C2,ABC4D_mC28_5_c_ab_4c_c:Ag-Hg-O-V,14.0,ABC4D_mC28_5_c_ab_4c_c:Ag-Hg-O-V +mp-2232948,MgV4Ag2O11,-7.5111114472,-2.0658563272,0.1027842428,0.1027842428,GGA+U,P1,A2BC11D4_aP18_1_2a_a_11a_4a:Ag-Mg-O-V,18.0,A2BC11D4_aP18_1_2a_a_11a_4a:Ag-Mg-O-V +mp-2233253,MgV4Ag2O11,-7.5180153389,-2.0727602189,0.0958803511,0.0958803511,GGA+U,P1,A2BC11D4_aP18_1_2a_a_11a_4a:Ag-Mg-O-V,18.0,A2BC11D4_aP18_1_2a_a_11a_4a:Ag-Mg-O-V +mp-2233106,MgV4Ag2O11,-7.5151822539,-2.0699271339,0.0987134361,0.0987134361,GGA+U,Cm,A2BC11D4_mC36_8_2a_a_11a_4a:Ag-Mg-O-V,18.0,A2BC11D4_mC36_8_2a_a_11a_4a:Ag-Mg-O-V +mp-2232666,MgV4Ag2O11,-7.4768952717,-2.0316401516,0.1370004183,0.1370004183,GGA+U,C2/m,A2BC11D4_mC36_12_i_a_d5i_2i:Ag-Mg-O-V,18.0,"Invalid WP multiplicities - A2BC11D4_mC36_12_i_a_d6i_2i:Ag-Mg-O-V, expected MgV4Ag2O13 to be MgV4Ag2O11" +mp-2229909,MgV2(Ag3O4)2,-5.7748691518,-1.28446104,0.2014235469,0.2014235469,GGA+U,P-1,A6BC8D2_aP17_2_bd2i_c_4i_i:Ag-Mg-O-V,17.0,"Invalid WP multiplicities - A6BC8D2_aP17_2_bd4i_c_6i_i:Ag-Mg-O-V, expected MgV2(Ag5O6)2 to be MgV2(Ag3O4)2" +mp-2229240,MgV2(Ag3O4)2,-5.7308083288,-1.2404002171,0.2454843698,0.2454843698,GGA+U,C2,A6BC8D2_mC34_5_3c_a_4c_ab:Ag-Mg-O-V,17.0,"Invalid WP multiplicities - A6BC8D2_mC34_5_4c_a_6c_ab:Ag-Mg-O-V, expected MgV2(Ag2O3)4 to be MgV2(Ag3O4)2" +mp-1216423,VAg3HgO4,-5.3411437856,-1.1553649756,0.0,-0.0254438287,GGA+U,P1,A3BC4D_aP9_1_3a_a_4a_a:Ag-Hg-O-V,9.0,A3BC4D_aP9_1_3a_a_4a_a:Ag-Hg-O-V +mp-2232484,MgV2Ag2(HgO4)2,-5.94372857,-1.5694569289,0.1509434859,0.1509434859,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Ag-Hg-Mg-O-V,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:Ag-Hg-Mg-O-V +mp-2240221,MgV2(HgO3)2,-6.4853668145,-1.9348590702,0.1510358657,0.1510358657,GGA+U,P1,A2BC6D2_aP11_1_2a_a_6a_2a:Hg-Mg-O-V,11.0,A2BC6D2_aP11_1_2a_a_6a_2a:Hg-Mg-O-V +mp-1096371,Mg2AgHg,-0.7896171,0.7945820171,1.0288534575,1.027593955,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Hg-Mg,4.0,ABC2_oI8_71_a_b_e:Ag-Hg-Mg +mp-1185750,Mg2AgHg,-1.8184705575,-0.2342714404,0.0,-0.0012595025,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ag-Hg-Mg,4.0,ABC2_cF16_225_a_b_c:Ag-Hg-Mg +mp-2217232,MgVAg3O4,-5.6936474322,-1.3638019906,0.3347980419,0.3347980419,GGA+U,Cm,A3BC4D_mC18_8_ab_a_2ab_a:Ag-Mg-O-V,9.0,"Invalid WP multiplicities - A3BC4D_mC18_8_a2b_a_2a2b_a:Ag-Mg-O-V, expected MgVAg5O6 to be MgVAg3O4" +mp-2228166,MgVAg3O4,-5.6015666633,-1.2717212217,0.4268788107,0.4268788107,GGA+U,I222,A3BC4D_oI18_23_af_c_k_b:Ag-Mg-O-V,9.0,"Invalid WP multiplicities - A3BC4D_oI18_23_a2f_c_k_b:Ag-Mg-O-V, expected MgVAg5O4 to be MgVAg3O4" +mp-1519032,BaCaDyVO6,-7.831878581,-3.1023385813,0.1919750498,0.1919750498,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Dy-O-V,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Dy-O-V +mp-11715,MgSn(BO3)2,-7.580707183999999,-2.7158304126,0.0,-0.0041256898,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Mg-O-Sn,10.0,A2BC6D_hR30_148_c_a_f_b:B-Mg-O-Sn +mp-1026690,Mg14SnB,-1.9091787281,0.1591265422,0.2260417568,0.2260417568,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Sn, expected Mg18SnB to be Mg14SnB" +mp-1026588,Mg14SnB,-1.92474484,0.1435604304,0.210475645,0.210475645,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Sn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Sn, expected Mg26SnB to be Mg14SnB" +mp-1198031,Mg5Sn(BO5)2,-7.0679540506,-2.9103627862,0.0,-0.0149508031,GGA,C2/m,A2B5C10D_mC144_12_4i_gh4i2j_12i4j_2i:B-Mg-O-Sn,72.0,"Invalid WP multiplicities - A2B5C10D_mC144_12_4i_gh4i3j_12i4j_2i:B-Mg-O-Sn, expected Mg6Sn(BO5)2 to be Mg5Sn(BO5)2" +mp-1222637,Mg10TiSn(BO5)4,-7.2902872076,-3.0247537165,0.0,-0.0032421452,GGA,P-1,A4B10C20DE_aP72_2_4i_10i_20i_i_i:B-Mg-O-Sn-Ti,72.0,A4B10C20DE_aP72_2_4i_10i_20i_i_i:B-Mg-O-Sn-Ti +mp-1021448,Mg6SnB,-2.3425477644,0.1937827264,0.3003580056,0.3003580056,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Sn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Sn, expected Mg12SnB to be Mg6SnB" +mp-1099300,Mg6SnB,-2.1946485338,0.341681957,0.4482572362,0.4482572362,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Sn,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Sn +mp-1195702,SrV2(CoO4)2,-7.9291110737,-2.2639225449,0.01298214,0.01298214,GGA+U,I4_1cd,A2B8CD2_tI104_110_b_4b_a_b:Co-O-Sr-V,52.0,A2B8CD2_tI104_110_b_4b_a_b:Co-O-Sr-V +mp-1195067,Na2SrV2CoO8,-7.2890431595,-2.3473157548,0.0630018379,0.0630018379,GGA+U,P2_1/c,AB2C8DE2_mP56_14_ab_2e_8e_e_2e:Co-Na-O-Sr-V,56.0,AB2C8DE2_mP56_14_ab_2e_8e_e_2e:Co-Na-O-Sr-V +mp-1223609,KCr12Si8BrO28,-8.6329309076,-2.6247344062,0.0,-0.0263130768,GGA+U,I4mm,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Br-Cr-K-O-Si,50.0,AB12CD28E8_tI100_107_a_3d_a_3c2e_2c:Br-Cr-K-O-Si +mp-1194952,Ba2In2Si3SO10,-7.2911996076,-2.890054696,0.0,-0.0003962927,GGA,Pca2_1,A2B2C10DE3_oP72_29_2a_2a_10a_a_3a:Ba-In-O-S-Si,72.0,A2B2C10DE3_oP72_29_2a_2a_10a_a_3a:Ba-In-O-S-Si +mp-1042520,BaAlVCuO5,-7.0498378444,-2.2074926149,0.5310306268,0.5310306268,GGA+U,Pmm2,ABCD5E_oP9_25_d_d_a_a2b2c_a:Al-Ba-Cu-O-V,9.0,ABCD5E_oP9_25_d_d_a_a2b2c_a:Al-Ba-Cu-O-V +mp-1264182,AlV4(CuO4)3,-7.569443427499999,-1.9824891948,0.178449474,0.178449474,GGA+U,P1,AB3C12D4_aP20_1_a_3a_12a_4a:Al-Cu-O-V,20.0,AB3C12D4_aP20_1_a_3a_12a_4a:Al-Cu-O-V +mp-1045776,AlV4(CuO4)3,-7.4703369805,-1.8833827478,0.277555921,0.277555921,GGA+U,R-3,AB3C12D4_hR60_148_a_e_2f_bd:Al-Cu-O-V,20.0,"Invalid WP multiplicities - AB3C12D4_aP20_2_a_efg_11i_bcdh:Al-Cu-O-V, expected AlV4Cu3O22 to be AlV4(CuO4)3" +mp-1379838,AlV4(CuO4)3,-7.422391897,-1.8354376643,0.3255010045,0.3255010045,GGA+U,Im-3,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-V,20.0,AB3C12D4_cI40_204_a_b_g_c:Al-Cu-O-V +mp-776847,Li4Nb3V2Fe3O16,-8.1654112271,-2.427393308,0.0768593819,0.0768593819,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-V,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Nb-O-V +mp-762676,Li4Nb2V3Fe3O16,-8.1212726179,-2.4195903762,0.0199990291,0.0199990291,GGA+U,P1,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-V,28.0,A3B4C2D16E3_aP28_1_3a_4a_2a_16a_3a:Fe-Li-Nb-O-V +mp-758576,Li4Nb2V3Fe3O16,-8.0822100018,-2.3805277601,0.0590616451,0.0590616451,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Nb-O-V, expected Li4Nb2V3Fe3O20 to be Li4Nb2V3Fe3O16" +mp-1177356,Li4Nb3V3(FeO8)2,-8.2571073879,-2.4971650094,0.0780572088,0.0780572088,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Fe-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Fe-Li-Nb-O-V, expected Li4Nb3V3(FeO10)2 to be Li4Nb3V3(FeO8)2" +mp-560513,Gd3Si2Cl5O6,-8.9653066866,-3.2151930398,0.0,-0.0099165441,GGA,C2/m,A5B3C6D2_mC64_12_3ij_ej_gi2j_j:Cl-Gd-O-Si,32.0,"Invalid WP multiplicities - A5B3C6D2_mC64_12_6i3j_2e3j_2h2i5j_j:Cl-Gd-O-Si, expected Gd4SiCl6O7 to be Gd3Si2Cl5O6" +mp-1225838,K8Gd3Si12ClO34,-7.948005166,-3.0126374505,0.0438603199,0.0438603199,GGA,P1,AB3C8D34E12_aP58_1_a_3a_8a_34a_12a:Cl-Gd-K-O-Si,58.0,AB3C8D34E12_aP58_1_a_3a_8a_34a_12a:Cl-Gd-K-O-Si +mp-680437,K3GdSi2O7,-7.8977447226,-3.0604542518,0.0,-0.0592142729,GGA,P6_3/mcm,AB3C7D2_hP78_193_ad_bck_gkl_k:Gd-K-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_193_2a2d_2b4c6k_6g10k13l_k:Gd-K-O-Si, expected K23Gd3(SiO39)3 to be K3GdSi2O7" +mp-675067,Sm2ZnS4,-5.7179941843,-1.8261777061,0.168501464,0.168501464,GGA,I-42d,A4B2C_tI28_122_e_d_a:S-Sm-Zn,14.0,A4B2C_tI28_122_e_d_a:S-Sm-Zn +mp-1190396,Sm2ZnTe2(SO7)2,-6.8695739762,-2.369094483,0.0,-0.0197548481,GGA,P-1,A14B2C2D2E_aP21_2_7i_i_i_i_a:O-S-Sm-Te-Zn,21.0,A14B2C2D2E_aP21_2_7i_i_i_i_a:O-S-Sm-Te-Zn +mp-1203166,Er2Mo3H2Se2O17,-7.526568995,-2.1595162609,0.0066288027,0.0066288027,GGA+U,P2_1/m,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Er-H-Mo-O-Se,52.0,A2B2C3D17E2_mP52_11_2e_f_ef_7e5f_2e:Er-H-Mo-O-Se +mp-1104287,Er(Mo3Se4)2,-7.4495336567,-0.9422729039,0.0593774371,0.0593774371,GGA,R-3,AB6C8_hR45_148_a_f_cf:Er-Mo-Se,15.0,AB6C8_hR45_148_a_f_cf:Er-Mo-Se +mp-1206742,ErHSe,-5.4562660633,-1.6374806191,0.0,-0.1120267808,GGA,P-6m2,ABC_hP3_187_a_c_f:Er-H-Se,3.0,ABC_hP3_187_a_c_f:Er-H-Se +mp-1229307,Ba10Gd3Y2(Cu3O7)5,-6.9321062625,-2.1786714426,0.0264402933,0.0264402933,GGA,Pmmm,A10B15C3D35E2_oP65_47_j2z_ek2m2y_dp_aikl2m4y2z_p:Ba-Cu-Gd-O-Y,65.0,"Invalid WP multiplicities - A10B15C3D35E2_oP65_47_2j6z_e2k4m7y_dp_a2i2k2l3m13y7z_p:Ba-Cu-Gd-O-Y, expected Ba28Gd3Y2Cu41O99 to be Ba10Gd3Y2(Cu3O7)5" +mp-1184512,GdYCu2,-7.40619198,-0.2209403067,0.01398505,0.01398505,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cu-Gd-Y,4.0,A2BC_cF16_225_c_a_b:Cu-Gd-Y +mp-1229303,Ba10GdY4(Cu3O7)5,-6.6946733368,-2.1753816285,0.034895772,0.034895772,GGA,Pmmm,A10B15CD35E4_oP65_47_5j_e7k_d_a7i5k5l_2j:Ba-Cu-Gd-O-Y,65.0,"Invalid WP multiplicities - A10B15CD35E4_oP65_47_10j_e13k_d_a13i10k10l_3j:Ba-Cu-Gd-O-Y, expected Ba20GdY6Cu27O67 to be Ba10GdY4(Cu3O7)5" +mp-1228341,Ba4GdY(Cu3O7)2,-6.8703851804,-2.1754861384,0.0310776799,0.0310776799,GGA,Pmmm,A4B6CD14E_oP26_47_2i_3l_a_2j3k2l_b:Ba-Cu-Gd-O-Y,26.0,"Invalid WP multiplicities - A4B6CD14E_oP26_47_4i_5l_a_4j5k4l_b:Ba-Cu-Gd-O-Y, expected Ba8GdY(Cu5O13)2 to be Ba4GdY(Cu3O7)2" +mp-1224747,GdYCu4,-6.4093023483,-0.2527323428,0.0016948567,0.0016948567,GGA,Imm2,A4BC_oI12_44_2c_a_b:Cu-Gd-Y,6.0,"Invalid WP multiplicities - A4BC_oI12_44_3c_a_b:Cu-Gd-Y, expected GdYCu6 to be GdYCu4" +mp-1229059,Ba10Gd2Y3(Cu3O7)5,-6.8129323974,-2.1765691333,0.0314467674,0.0314467674,GGA,P2/m,A10B15C2D35E3_mP65_10_i2o_dj2m2o_n_cjkl2m6o_bn:Ba-Cu-Gd-O-Y,65.0,"Invalid WP multiplicities - A10B15C2D35E3_mP65_10_2k8o_b2i4n8o_m_e2i2j2l3n20o_c2m:Ba-Cu-Gd-O-Y, expected Ba36Gd2Y5(Cu5O11)9 to be Ba10Gd2Y3(Cu3O7)5" +mp-1229238,Ba10Gd4Y(Cu3O7)5,-7.045694556,-2.1751881804,0.0270193907,0.0270193907,GGA,Pmmm,A10B15C4D35E_oP65_47_k2y_cj2n2z_2o_aijl2m2y4z_f:Ba-Cu-Gd-O-Y,65.0,"Invalid WP multiplicities - A10B15C4D35E_oP65_47_2k6y_c2j4n7z_3o_a2i2j2l4m7y13z_f:Ba-Cu-Gd-O-Y, expected Ba28Gd6YCu41O101 to be Ba10Gd4Y(Cu3O7)5" +mp-1194556,FeAgSb(S2N3)2,-5.8563436565,0.4510676874,0.7827155077,0.7827155077,GGA,P-4n2,ABC6D4E_tP26_118_a_c_fi_i_b:Ag-Fe-N-S-Sb,26.0,ABC6D4E_tP26_118_a_c_fi_i_b:Ag-Fe-N-S-Sb +mp-1247477,AgSbN2,-5.5813583525,0.3272784208,0.3351790692,0.3351790692,GGA,R-3m,AB2C_hR12_166_a_c_b:Ag-N-Sb,4.0,AB2C_hR12_166_a_c_b:Ag-N-Sb +mp-13170,KNaGdNbO5,-8.71674319,-3.0118770704,0.0,-0.0202921816,GGA,P4/nmm,ABCDE5_tP18_129_a_b_c_c_cj:Gd-K-Na-Nb-O,18.0,ABCDE5_tP18_129_a_b_c_c_cj:Gd-K-Na-Nb-O +mp-680381,K2Na2Gd4Nb2O13,-9.5415995667,-3.2076908377,0.0,-0.0035750504,GGA,C2/c,A4B2C2D2E13_mC92_15_2f_f_f_f_e6f:Gd-K-Na-Nb-O,46.0,"Invalid WP multiplicities - A4B2C2D2E13_mC92_15_4f_f_f_f_2e22f:Gd-K-Na-Nb-O, expected KNaGd4NbO23 to be K2Na2Gd4Nb2O13" +mp-542942,ZnCdC4(SeN)4,-6.2587764114,-0.085424915,0.1913937679,0.1913937679,GGA,I-4,A4BC4D4E_tI28_82_g_a_g_g_c:C-Cd-N-Se-Zn,14.0,A4BC4D4E_tI28_82_g_a_g_g_c:C-Cd-N-Se-Zn +mp-1246192,Zn(CdN)2,-3.623780778,0.331921818,0.3425696047,0.3425696047,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Cd-N-Zn,5.0,A2B2C_tI10_139_e_e_a:Cd-N-Zn +mp-1246187,Zn(CdN)2,-3.70820383,0.247498766,0.2581465527,0.2581465527,GGA,R-3m,A2B2C_hR15_166_c_c_a:Cd-N-Zn,5.0,A2B2C_hR15_166_c_c_a:Cd-N-Zn +mp-1247546,Zn2CdN2,-3.855815854,0.167257512,0.1885530853,0.1885530853,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cd-N-Zn,5.0,AB2C2_hP5_164_a_d_d:Cd-N-Zn +mp-1246873,Zn2CdN2,-2.46226229,1.560811076,1.5821066493,1.5821066493,GGA,P-43m,AB2C2_cP10_215_ab_e_e:Cd-N-Zn,10.0,AB2C2_cP10_215_ab_e_e:Cd-N-Zn +mp-615850,Pb2Se(NO4)2,-6.3474568027,-1.1807102521,0.0228382558,0.0228382558,GGA,Pmn2_1,A2B8C2D_oP26_31_2a_2a3b_2a_a:N-O-Pb-Se,26.0,"Invalid WP multiplicities - A2B8C2D_oP26_31_2a_4a10b_3a_a:N-O-Pb-Se, expected Pb3Se(NO12)2 to be Pb2Se(NO4)2" +mp-1202064,Cu3Pb2Se2(NO7)2,-6.0389579354,-1.1415071131,0.0006137548,0.0006137548,GGA,Cmc2_1,A3B2C14D2E2_oC92_36_ab_2a_6a4b_2a_2a:Cu-N-O-Pb-Se,46.0,A3B2C14D2E2_oC92_36_ab_2a_6a4b_2a_2a:Cu-N-O-Pb-Se +mp-1192446,Pb2SeN2O9,-6.3641211836,-1.2130930501,0.0,-0.0051306157,GGA,Pmn2_1,A2B9C2D_oP28_31_2a_3a3b_2a_a:N-O-Pb-Se,28.0,A2B9C2D_oP28_31_2a_3a3b_2a_a:N-O-Pb-Se +mp-1227547,Cu6Pb2Se6N2O27,-5.7631594981,-1.0368900079,0.0803925617,0.0803925617,GGA,P1,A6B2C27D2E6_aP43_1_6a_2a_27a_2a_6a:Cu-N-O-Pb-Se,43.0,A6B2C27D2E6_aP43_1_6a_2a_27a_2a_6a:Cu-N-O-Pb-Se +mp-1198158,Tl2CoH12(SeO7)2,-5.3998578866,-1.2452842885,0.022556346,0.022556346,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-Se-Tl,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-Se-Tl +mp-510729,CaCuAsHO5,-6.2680543483,-1.946932731,0.0147421795,0.0147421795,GGA,P2_12_12_1,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-Cu-H-O,36.0,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-Cu-H-O +mp-1202137,Ca2CuAs2(H2O5)2,-6.184026965,-1.9489514633,0.0125984457,0.0125984457,GGA,P2_1/c,A2B2CD4E10_mP38_14_e_e_a_2e_5e:As-Ca-Cu-H-O,38.0,A2B2CD4E10_mP38_14_e_e_a_2e_5e:As-Ca-Cu-H-O +mp-1205020,CaCu4As4(HO13)2,-5.3188739314,-0.6583804513,0.5190125305000001,0.5190125305000001,GGA,P-1,A4BC4D2E26_aP37_2_2i_a_2i_i_13i:As-Ca-Cu-H-O,37.0,A4BC4D2E26_aP37_2_2i_a_2i_i_13i:As-Ca-Cu-H-O +mp-699550,KCu3Ag(MoO4)4,-7.1833626828,-1.6325548916,0.019372901,0.019372901,GGA+U,P2_1/c,AB3CD4E16_mP100_14_e_3e_e_4e_16e:Ag-Cu-K-Mo-O,100.0,"Invalid WP multiplicities - AB3CD4E16_mP100_14_e_11e_e_12e_58e:Ag-Cu-K-Mo-O, expected KCu11Ag(Mo6O29)2 to be KCu3Ag(MoO4)4" +mp-1522480,Sr2YBiO6,-7.1542734203,-2.8176654785,0.0,-0.0182164543,GGA,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Bi-O-Sr-Y,40.0,AB6C2D_cP40_201_b_h_ad_c:Bi-O-Sr-Y +mp-1522479,Sr2YBiO6,-7.087236302,-2.7506283602,0.0670371182,0.0488206639,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Y,10.0,AB6C2D_cF40_225_a_e_c_b:Bi-O-Sr-Y +mp-1048315,Sr2YBi2O7,-6.7403110646,-2.394206293,0.2669579751,0.2669579751,GGA,Ima2,A2B7C2D_oI48_46_c_b3c_c_a:Bi-O-Sr-Y,24.0,A2B7C2D_oI48_46_c_b3c_c_a:Bi-O-Sr-Y +mp-1516562,BaSrYBiO6,-7.179036687,-2.8194805966,0.0,-0.0002198271,GGA,P222,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Bi-O-Sr-Y,40.0,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Bi-O-Sr-Y +mp-1516607,BaSrYBiO6,-7.141290922,-2.7817348316,0.037745765,0.0375259379,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Bi-O-Sr-Y +mp-1522577,KPrDyFeO6,-7.343409734,-2.478585232,0.189370129,0.189370129,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Dy-Fe-K-O-Pr +mp-1211688,KLiHo2(MoO4)4,-8.1432087517,-2.5301354444,0.0188014127,0.0188014127,GGA+U,C2/c,A2BCD4E16_mC96_15_f_e_e_2f_8f:Ho-K-Li-Mo-O,48.0,A2BCD4E16_mC96_15_f_e_e_2f_8f:Ho-K-Li-Mo-O +mp-1222932,Li7Ho3(MoO4)8,-7.882993169,-2.4396146427,0.0307969155,0.0307969155,GGA+U,P1,A3B7C8D32_aP50_1_3a_7a_8a_32a:Ho-Li-Mo-O,50.0,A3B7C8D32_aP50_1_3a_7a_8a_32a:Ho-Li-Mo-O +mp-1516437,BaSrYCrO6,-7.804736025,-2.8639241006,0.1492181596,0.1492181596,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Cr-O-Sr-Y +mp-1519154,NaEuDyWO6,-8.768028067,-2.8855704239,0.0310289067,0.0310289067,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-Na-O-W +mp-1517541,KEuFeBiO6,-7.179393014,-1.8435886786,0.1733934437,0.1733934437,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Eu-Fe-K-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Eu-Fe-K-O +mp-1519815,SrCaNbWO6,-8.460932432,-2.8174663449,0.1809785942,0.1809785942,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-W +mp-1228375,Ba3Sr(CO2)8,-7.9171289132,-2.1877445706,0.1117566674,0.1117566674,GGA,P1,A3B8C16D_aP28_1_3a_8a_16a_a:Ba-C-O-Sr,28.0,A3B8C16D_aP28_1_3a_8a_16a_a:Ba-C-O-Sr +mp-677647,BaSrCuCO4,-5.8433040988,-1.2529171736,1.1940183669,1.1940183669,GGA,P1,ABCD4E_aP16_1_2a_2a_2a_8a_2a:Ba-C-Cu-O-Sr,16.0,ABCD4E_aP16_1_2a_2a_2a_8a_2a:Ba-C-Cu-O-Sr +mp-1197479,Fe7Sb3P3(BrO6)3,-7.3127242753,-1.9710612899,0.0184818584,0.0184818584,GGA+U,Pnma,A3B7C18D3E3_oP136_62_cd_c3d_2c8d_cd_cd:Br-Fe-O-P-Sb,136.0,A3B7C18D3E3_oP136_62_cd_c3d_2c8d_cd_cd:Br-Fe-O-P-Sb +mp-1203691,Fe7Sb10(Br4O9)2,-6.2812676344,-1.5825517202,0.0,-0.0170003912,GGA+U,P-1,A8B7C18D10_aP43_2_4i_a3i_9i_5i:Br-Fe-O-Sb,43.0,A8B7C18D10_aP43_2_4i_a3i_9i_5i:Br-Fe-O-Sb +mp-1194355,Fe3Sb2(BrO)4,-6.0399506046,-1.4501864296,0.0,-0.0756412822,GGA+U,Cmce,A4B3C4D2_oC52_64_2f_ae_df_f:Br-Fe-O-Sb,26.0,"Invalid WP multiplicities - A4B3C4D2_oC52_64_2f_a2e_df_f:Br-Fe-O-Sb, expected Fe5Sb2(BrO)4 to be Fe3Sb2(BrO)4" +mp-1080029,Ba2Mn2Se2OF2,-6.7610314422,-2.5473147683,0.0,-0.0625571761,GGA+U,I4/mmm,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Mn-O-Se,9.0,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Mn-O-Se +mp-560955,Ba2Mn3(SeO3)6,-6.7142388381,-1.8404505131,0.0,-0.010074934,GGA+U,P2_1/c,A2B3C18D6_mP58_14_e_ae_9e_3e:Ba-Mn-O-Se,58.0,"Invalid WP multiplicities - A2B3C18D6_mP58_14_e_2a3e_35e_9e:Ba-Mn-O-Se, expected BaMn4Se9O35 to be Ba2Mn3(SeO3)6" +mp-757783,Li4Ti3Cu3(WO8)2,-7.66077488,-2.3506653312,0.0881699961,0.0881699961,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cu-Li-O-Ti-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cu-Li-O-Ti-W, expected Li4Ti3Cu3(WO10)2 to be Li4Ti3Cu3(WO8)2" +mp-755760,CuBi(PO4)2,-6.9602118008,-2.0985609256,0.0522981969,0.0522981969,GGA,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Bi-Cu-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Bi-Cu-O-P, expected CuBi(PO5)3 to be CuBi(PO4)2" +mp-1147633,LiCu2BiO4,-5.6112481125,-1.3944255898,0.0071276677,0.0071276677,GGA,P4/nmm,AB2CD4_tP16_129_c_d_b_i:Bi-Cu-Li-O,16.0,AB2CD4_tP16_129_c_d_b_i:Bi-Cu-Li-O +mp-778969,Li2CuBi(PO4)2,-6.7193371904,-2.279504602,0.1051129266,0.1051129266,GGA,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Bi-Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_mP28_11_e_e_ab_7e4f_3e:Bi-Cu-Li-O-P, expected Li2CuBi(PO5)3 to be Li2CuBi(PO4)2" +mp-754238,Li2CuBiO4,-5.4929257837,-1.5498887365,0.1119836575,0.1119836575,GGA,I-4m2,ABC2D4_tI16_119_a_c_bd_ef:Bi-Cu-Li-O,8.0,"Invalid WP multiplicities - ABC2D4_tI16_119_a_c_bd_e2f:Bi-Cu-Li-O, expected Li2CuBiO6 to be Li2CuBiO4" +mp-617247,Cu2BiPO6,-6.4724401035,-1.7592063791,0.071004033,0.071004033,GGA,Pnma,AB2C6D_oP40_62_c_2c_2c2d_c:Bi-Cu-O-P,40.0,"Invalid WP multiplicities - AB2C6D_oP40_62_c_5c_7c13d_c:Bi-Cu-O-P, expected Cu5BiPO33 to be Cu2BiPO6" +mp-1191259,Cu3Bi2(PO7)2,-6.2881511495,-1.5234442333,0.158029691,0.158029691,GGA,C2/m,A2B3C14D2_mC42_12_i_ae_g4ij_i:Bi-Cu-O-P,21.0,A2B3C14D2_mC42_12_i_ae_g4ij_i:Bi-Cu-O-P +mp-1203571,Cu3Bi2(PO7)2,-6.2854044145,-1.5206974983,0.160776426,0.160776426,GGA,P2_1/c,A2B3C14D2_mP84_14_2e_ac2e_14e_2e:Bi-Cu-O-P,84.0,A2B3C14D2_mP84_14_2e_ac2e_14e_2e:Bi-Cu-O-P +mp-765628,Li4Cu3Bi(PO4)4,-6.6919906818,-2.2429181813,0.0680683837,0.0680683837,GGA,Pm,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Bi-Cu-Li-O-P,28.0,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Bi-Cu-Li-O-P +mp-1217726,Tb2VFeO6,-8.7310377885,-3.0807586138,0.0,-0.0017226041,GGA+U,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Fe-O-Tb-V,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Fe-O-Tb-V, expected Tb2VFeO10 to be Tb2VFeO6" +mp-1217854,Tb(VFe5)2,-8.3363103169,-0.0668956754,0.0287998318,0.0287998318,GGA,Immm,A10BC2_oI26_71_efhk_a_g:Fe-Tb-V,13.0,A10BC2_oI26_71_efhk_a_g:Fe-Tb-V +mp-1104217,Tb(VFe2)4,-8.4813985731,-0.1175401069,0.0074861275,0.0074861275,GGA,I4/mmm,A8BC4_tI26_139_fj_a_i:Fe-Tb-V,13.0,A8BC4_tI26_139_fj_a_i:Fe-Tb-V +mp-1217799,Tb3(VFe8)4,-8.2969155223,-0.0589821556,0.0103940228,0.0103940228,GGA,Cm,A32B3C4_mC78_8_20a6b_3a_4a:Fe-Tb-V,39.0,"Invalid WP multiplicities - A32B3C4_mC78_8_20a12b_3a_4a:Fe-Tb-V, expected Tb3(VFe11)4 to be Tb3(VFe8)4" +mp-1196069,Nd6Al43W4,-4.8285736156,-0.2719478381,0.0021409893,0.0021409893,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-W,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Nd-W +mp-1227667,BaSrV4(CuO4)4,-7.3199872988,-2.1089127322,0.0416288442,0.0416288442,GGA+U,I-42d,AB4C16DE4_tI104_122_a_e_4e_b_2d:Ba-Cu-O-Sr-V,52.0,AB4C16DE4_tI104_122_a_e_4e_b_2d:Ba-Cu-O-Sr-V +mp-776001,Li4Nb3V3(SbO8)2,-7.9285881625,-2.478718639,0.0955312912,0.0955312912,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Nb-O-Sb-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Nb-O-Sb-V, expected Li4Nb3V3(SbO10)2 to be Li4Nb3V3(SbO8)2" +mp-756025,Li4Ti3Nb3V2O16,-8.5322656507,-2.8558044308,0.0786322755,0.0786322755,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Nb-O-Ti-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Nb-O-Ti-V, expected Li4Ti3Nb3V2O20 to be Li4Ti3Nb3V2O16" +mp-774881,Li4Ti3Nb2V3O16,-8.5194389975,-2.8793134551,0.0310960542,0.0310960542,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Nb-O-Ti-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Nb-O-Ti-V, expected Li4Ti3Nb2V3O20 to be Li4Ti3Nb2V3O16" +mp-757958,Li4Ti2Nb3V3O16,-8.5015971321,-2.7826925532,0.0685903948,0.0685903948,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Nb-O-Ti-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Nb-O-Ti-V, expected Li4Ti2Nb3V3O20 to be Li4Ti2Nb3V3O16" +mp-777897,Li4Ti2V3Cu3O16,-7.3422164264,-2.2663938157,0.1029934107,0.1029934107,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Ti-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Ti-V +mp-1378312,Li4Ti2V3Cu3O16,-4.6731484382,0.4026741725,2.7720613989,2.7720613989,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Ti-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Cu-Li-O-Ti-V +mp-849709,Li4Ti3V2Cu3O16,-7.4136246429,-2.3802453912,0.0968433748,0.0968433748,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cu-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cu-Li-O-Ti-V, expected Li4Ti3V2Cu3O20 to be Li4Ti3V2Cu3O16" +mp-776176,Li4Ti3V3(CuO8)2,-7.7356636279,-2.5242593976,0.0892583801,0.0892583801,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Cu-Li-O-Ti-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Cu-Li-O-Ti-V +mp-756111,TiV4CuO12,-8.3206859683,-2.3378755516,0.0898704314,0.0898704314,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Cu-O-Ti-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Cu-O-Ti-V, expected TiV8CuO24 to be TiV4CuO12" +mp-1195193,Ag12Sn7H16(Se11N2)2,-4.1977088208,-0.4829985921,0.0,-0.0488482481,GGA,C2/c,A12B16C4D22E7_mC244_15_6f_8f_2f_11f_e3f:Ag-H-N-Se-Sn,122.0,A12B16C4D22E7_mC244_15_6f_8f_2f_11f_e3f:Ag-H-N-Se-Sn +mp-1201828,SnH16Se3N7,-5.0225138833,-0.3137587914,0.09285208,0.09285208,GGA,P-1,A16B7C3D_aP54_2_16i_7i_3i_i:H-N-Se-Sn,54.0,A16B7C3D_aP54_2_16i_7i_3i_i:H-N-Se-Sn +mp-6655,Y2Be2SiO7,-8.6080458629,-3.5693869491,0.0,-0.0064752148,GGA,P-42_1m,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Y,24.0,A2B7CD2_tP24_113_e_cef_a_e:Be-O-Si-Y +mp-1265318,Y4Be6Fe3(SiO5)6,-8.1091717573,-2.9119269657,0.1626971956,0.1626971956,GGA+U,P1,A6B3C30D6E4_aP98_1_12a_6a_60a_12a_8a:Be-Fe-O-Si-Y,98.0,A6B3C30D6E4_aP98_1_12a_6a_60a_12a_8a:Be-Fe-O-Si-Y +mp-18959,Y2Be2Fe(SiO5)2,-8.5497800079,-3.302761635,0.0,-0.0134498247,GGA+U,P2_1/c,A2BC10D2E2_mP34_14_e_a_5e_e_e:Be-Fe-O-Si-Y,34.0,"Invalid WP multiplicities - A2BC10D2E2_mP34_14_e_a_11e_e_e:Be-Fe-O-Si-Y, expected Y2Be2Fe(SiO11)2 to be Y2Be2Fe(SiO5)2" +mp-1266607,Y5Be6Fe3(SiO5)6,-8.3938509956,-3.1712216775,0.0501143045,0.0501143045,GGA+U,P1,A6B3C30D6E5_aP100_1_12a_6a_60a_12a_10a:Be-Fe-O-Si-Y,100.0,A6B3C30D6E5_aP100_1_12a_6a_60a_12a_10a:Be-Fe-O-Si-Y +mp-679669,NaZr2SN2Cl,-7.7437697071,-1.8757835742,0.0766654443,0.0766654443,GGA,P2_1/c,AB2CDE2_mP28_14_e_2e_e_e_2e:Cl-N-Na-S-Zr,28.0,"Invalid WP multiplicities - AB2CDE2_mP28_14_e_4e_e_e_3e:Cl-N-Na-S-Zr, expected NaZr3SN4Cl to be NaZr2SN2Cl" +mp-1220698,NaZr2SN2Cl,-7.7286410671,-1.8606549342,0.0917940843,0.0917940843,GGA,R3m,AB2CDE2_hR21_160_a_2a_a_a_2a:Cl-N-Na-S-Zr,7.0,AB2CDE2_hR21_160_a_2a_a_a_2a:Cl-N-Na-S-Zr +mp-1103074,Na2S3N,-3.932412275,-0.0339297562,0.7838664675,0.7838664675,GGA,C2/m,AB2C3_mC24_12_i_adi_ij:N-Na-S,12.0,AB2C3_mC24_12_i_aci_ij:N-Na-S +mp-553875,Zr2SN2,-9.457744326,-1.8767761306,0.012805864,-0.145904619,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-S-Zr,5.0,A2BC2_hP5_164_d_a_d:N-S-Zr +mp-11583,Zr2SN2,-9.47055019,-1.8895819946,0.0,-0.158710483,GGA,P6_3/mmc,A2BC2_hP10_194_f_b_f:N-S-Zr,10.0,A2BC2_hP10_194_f_b_f:N-S-Zr +mp-1245503,Zr4S3N2,-8.7532787922,-1.7229296844,0.1432779706,0.1432779706,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Zr,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Zr +mp-559350,ZrS4(N2Cl3)2,-5.3493892713,-0.7140092875,0.1683010416,0.1683010416,GGA,P-1,A6B4C4D_aP60_2_12i_8i_8i_2i:Cl-N-S-Zr,60.0,"Invalid WP multiplicities - A6B4C4D_aP60_2_24i_14i_15i_2i:Cl-N-S-Zr, expected Zr2S15(N7Cl12)2 to be ZrS4(N2Cl3)2" +mp-1029316,Na2ZrN2,-6.37444383,-0.8012956166,0.0488893997,0.0488893997,GGA,P-3m1,A2B2C_hP5_164_d_d_a:N-Na-Zr,5.0,A2B2C_hP5_164_d_d_a:N-Na-Zr +mp-1246661,Na6SN4,-4.1814009218,-0.052529892,0.4634669902,0.4634669902,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-S,22.0,A4B6C_tP22_137_g_df_a:N-Na-S +mp-1207105,ZrS2N,-6.4649245075,-0.1756506853,1.2420114532,1.2420114532,GGA,R3m,AB2C_hR12_160_a_2a_a:N-S-Zr,4.0,AB2C_hR12_160_a_2a_a:N-S-Zr +mp-1047328,Sr2YMo2O7,-7.9821438158,-2.4685122143,0.3817462067,0.3817462067,GGA+U,Ima2,A2B7C2D_oI48_46_c_b3c_c_a:Mo-O-Sr-Y,24.0,A2B7C2D_oI48_46_c_b3c_c_a:Mo-O-Sr-Y +mp-1043436,Sr2YCu2MoO7,-7.1998507023,-2.3139782062,0.2429563769,0.2429563769,GGA+U,Cm,A2BC7D2E_mC52_8_2b_2a_2a6b_2b_b:Cu-Mo-O-Sr-Y,26.0,"Invalid WP multiplicities - A2BC7D2E_mC52_8_3b_2a_2a9b_3b_b:Cu-Mo-O-Sr-Y, expected Sr3YCu3MoO10 to be Sr2YCu2MoO7" +mp-1223744,K2Mg5Cu3(AsO4)6,-6.297657196,-2.0677807547,0.0046126963,0.0046126963,GGA,P1,A6B3C2D5E24_aP40_1_6a_3a_2a_5a_24a:As-Cu-K-Mg-O,40.0,A6B3C2D5E24_aP40_1_6a_3a_2a_5a_24a:As-Cu-K-Mg-O +mp-558193,K2Cu3(AsO3)4,-5.980312351,-1.5748287291,0.0081198576,0.0081198576,GGA,C2/m,A4B3C2D12_mC42_12_2i_ai_i_2i2j:As-Cu-K-O,21.0,"Invalid WP multiplicities - A4B3C2D12_mC42_12_2i_a2i_i_4i6j:As-Cu-K-O, expected K2Cu5(AsO8)4 to be K2Cu3(AsO3)4" +mp-1180871,KCu3(AsO5)2,-5.8059776238000005,-1.2939061938,0.0574066202,0.0574066202,GGA,C2/m,A2B3CD10_mC32_12_i_ae_c_3ij:As-Cu-K-O,16.0,A2B3CD10_mC32_12_i_ce_a_3ij:As-Cu-K-O +mp-1196082,KMg2(AsO6)2,-5.6015491921,-1.3080515219,0.3966766942,0.3966766942,GGA,C2/c,A2BC2D12_mC68_15_f_e_f_6f:As-K-Mg-O,34.0,A2BC2D12_mC68_15_f_e_f_6f:As-K-Mg-O +mp-1211416,KMg3Cu(AsO4)3,-6.3669360222,-2.1995327464,0.0,-0.0178040688,GGA,C2/c,A3BCD3E12_mC80_15_ef_e_e_ef_6f:As-Cu-K-Mg-O,40.0,A3BCD3E12_mC80_15_ef_e_e_ef_6f:As-Cu-K-Mg-O +mp-21578,KCu4(AsO4)3,-5.9789392425,-1.4366969737,0.0,-0.0049184784,GGA,C2/c,A3B4CD12_mC80_15_ef_2ef_e_6f:As-Cu-K-O,40.0,"Invalid WP multiplicities - A3B4CD12_mC80_15_e2f_4e3f_e_19f:As-Cu-K-O, expected KCu10As5O38 to be KCu4(AsO4)3" +mp-7777,Li2PrP2,-4.727596214,-0.8425249137,0.1448642228,0.1448642228,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-P-Pr,5.0,A2B2C_hP5_164_d_d_a:Li-P-Pr +mp-1235395,LiPr2Zn2(PO)2,-5.56281177,-1.7061224331,0.1285530448,0.1285530448,GGA,Cm,AB2C2D2E2_mC18_8_a_2a_2a_2a_2a:Li-O-P-Pr-Zn,9.0,AB2C2D2E2_mC18_8_a_2a_2a_2a_2a:Li-O-P-Pr-Zn +mp-1232988,LiPr2Zn2(PO)2,-5.4448986011,-1.5882092642,0.2464662137,0.2464662137,GGA,R3m,AB2C2D2E2_hR27_160_a_2a_2a_2a_2a:Li-O-P-Pr-Zn,9.0,AB2C2D2E2_hR27_160_a_2a_2a_2a_2a:Li-O-P-Pr-Zn +mp-1235237,LiPr2Zn2(PO)2,-5.4107266089,-1.5540372719,0.2806382059,0.2806382059,GGA,R-3m,AB2C2D2E2_hR27_166_a_c_c_c_c:Li-O-P-Pr-Zn,9.0,AB2C2D2E2_hR27_166_a_c_c_c_c:Li-O-P-Pr-Zn +mp-1235849,LiPr2Zn2(PO)2,-5.5776957578,-1.7210064208,0.113669057,0.113669057,GGA,R-3m,AB2C2D2E2_hR27_166_a_c_c_c_c:Li-O-P-Pr-Zn,9.0,AB2C2D2E2_hR27_166_a_c_c_c_c:Li-O-P-Pr-Zn +mp-1185408,LiPrZn2,-2.5658596875,-0.2635307271,0.0069139667,0.0069139667,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Pr-Zn,4.0,ABC2_cF16_225_a_b_c:Li-Pr-Zn +mp-1209243,Pr2ZnP2O,-4.6911906983,-0.2587158909,1.5648741092,1.5648741092,GGA,P4/mmm,AB2C2D_tP6_123_a_g_g_b:O-P-Pr-Zn,6.0,AB2C2D_tP6_123_a_g_g_b:O-P-Pr-Zn +mp-13206,PrZnPO,-6.0804085238,-1.980248378,0.0,-0.0811047501,GGA,R-3m,ABCD_hR24_166_c_c_c_c:O-P-Pr-Zn,8.0,ABCD_hR24_166_c_c_c_c:O-P-Pr-Zn +mp-1202549,Cs4Os2Cl10O,-4.5886611659,-1.6787553036,0.0,-0.0899579218,GGA,Pbca,A10B4CD2_oP68_61_5c_2c_a_c:Cl-Cs-O-Os,68.0,A10B4CD2_oP68_61_5c_2c_a_c:Cl-Cs-O-Os +mp-1196677,CsOsC3(ClO)3,-6.8497138391,-1.3774918033,0.0,-0.0152656534,GGA,P2_1/c,A3B3CD3E_mP44_14_3e_3e_e_3e_e:C-Cl-Cs-O-Os,44.0,A3B3CD3E_mP44_14_3e_3e_e_3e_e:C-Cl-Cs-O-Os +mp-1045706,Sr2YTi2TlO7,-7.842885799999999,-3.0255084016,0.2617826645,0.2617826645,GGA,P4/mmm,A7B2C2DE_tP13_123_ahi_g_h_c_b:O-Sr-Ti-Tl-Y,13.0,A7B2C2DE_tP13_123_ahi_g_h_c_b:O-Sr-Ti-Tl-Y +mp-1214647,BaAl2Si3(W2O5)2,-7.769138498,-1.4198640619,1.3161450315,1.3161450315,GGA+U,P2_12_12,A2BC10D3E4_oP40_18_c_a_5c_bc_2c:Al-Ba-O-Si-W,40.0,A2BC10D3E4_oP40_18_c_a_5c_bc_2c:Al-Ba-O-Si-W +mp-1215961,YFeNi4,-6.5873560717,-0.2445162311,0.0526177279,0.0526177279,GGA,P-6m2,AB4C_hP6_187_a_ck_e:Fe-Ni-Y,6.0,AB4C_hP6_187_a_ck_e:Fe-Ni-Y +mp-1215987,YFeNi,-7.11125224,-0.2057092389,0.0821740292,0.0821740292,GGA,Imma,ABC_oI12_74_a_c_e:Fe-Ni-Y,6.0,ABC_oI12_74_a_c_e:Fe-Ni-Y +mp-557475,BaBi12Mo4WO34,-7.1698817038,-1.9288626394,0.0182773363,0.0182773363,GGA+U,P2/c,AB12C4D34E_mP104_13_a_6g_2g_2f16g_e:Ba-Bi-Mo-O-W,104.0,"Invalid WP multiplicities - AB12C4D34E_mP104_13_a_21g_5g_4f63g_e:Ba-Bi-Mo-O-W, expected BaBi42Mo10WO130 to be BaBi12Mo4WO34" +mp-1215003,BaBi12Mo5O34,-7.1206089794,-1.9202145326,0.0097830531,0.0097830531,GGA+U,P2/c,AB12C5D34_mP104_13_a_6g_e2g_2f16g:Ba-Bi-Mo-O,104.0,AB12C5D34_mP104_13_a_6g_e2g_2f16g:Ba-Bi-Mo-O +mp-642792,BaBi2(MoO4)4,-7.84560167,-2.1008376257,0.0,-0.0008827505,GGA+U,C2/c,AB2C4D16_mC92_15_e_f_2f_8f:Ba-Bi-Mo-O,46.0,"Invalid WP multiplicities - AB2C4D16_mC92_15_e_f_6f_27f:Ba-Bi-Mo-O, expected BaBi2(Mo2O9)6 to be BaBi2(MoO4)4" +mp-1517122,NaLaMnWO6,-8.360095977,-2.5542149582,0.114881205,0.114881205,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:La-Mn-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:La-Mn-Na-O-W +mp-1518979,KLaAlBiO6,-6.809899354,-2.4786390261,0.1765651667,0.1765651667,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-K-La-O +mp-1218929,Sr10Fe5Mo4WO30,-7.8369093612,-2.5571807094,0.0028417209,0.0028417209,GGA+U,P-1,A5B4C30D10E_aP50_2_a2i_2i_15i_5i_c:Fe-Mo-O-Sr-W,50.0,"Invalid WP multiplicities - A5B4C30D10E_aP50_2_a3i_3i_28i_9i_c:Fe-Mo-O-Sr-W, expected Sr18Fe7Mo6WO56 to be Sr10Fe5Mo4WO30" +mp-1218626,Sr4Fe2MoWO12,-7.923047129,-2.5799440736,0.0192070572,0.0192070572,GGA+U,P-1,A2BC12D4E_aP20_2_i_b_6i_2i_c:Fe-Mo-O-Sr-W,20.0,"Invalid WP multiplicities - A2BC12D4E_aP20_2_i_b_10i_3i_c:Fe-Mo-O-Sr-W, expected Sr6Fe2MoWO20 to be Sr4Fe2MoWO12" +mp-734097,CaAl2(OF3)2,-6.0990286991,-3.2936648111,0.2793859658,0.2793859658,GGA,C2/c,A2BC6D2_mC44_15_ce_e_3f_f:Al-Ca-F-O,22.0,A2BC6D2_mC44_15_ae_e_3f_f:Al-Ca-F-O +mp-1218422,Sr5CaAl2(O4F)2,-6.8410015533,-3.4331856405,0.024998227,0.024998227,GGA,Fmm2,A2BC2D8E5_oF72_42_c_a_d_2ce_abd:Al-Ca-F-O-Sr,18.0,"Invalid WP multiplicities - A2BC2D8E5_oF72_42_c_a_d_4c2e_abd:Al-Ca-F-O-Sr, expected Sr5CaAl2(O8F)2 to be Sr5CaAl2(O4F)2" +mp-1198190,SrAl(OF2)2,-5.6969726034,-2.8251772815,0.4323311984,0.4323311984,GGA,P2_1/c,AB4C2D_mP32_14_e_4e_2e_e:Al-F-O-Sr,32.0,AB4C2D_mP32_14_e_4e_2e_e:Al-F-O-Sr +mp-1199082,SrAl(OF2)2,-5.7310631281,-2.8592678061,0.3982406737,0.3982406737,GGA,C2/c,AB4C2D_mC64_15_f_4f_2f_f:Al-F-O-Sr,32.0,AB4C2D_mC64_15_f_4f_2f_f:Al-F-O-Sr +mp-1218962,Sr15Al6(OF24)2,-6.046813842,-3.9417402555,0.0611711814,0.0611711814,GGA,C222,A6B48C2D15_oC284_21_6k_24l_aci_bd4i4j6k:Al-F-O-Sr,142.0,"Invalid WP multiplicities - A6B48C2D15_oC284_21_11k_96l_ac2i_bd6i8j11k:Al-F-O-Sr, expected Sr26Al11(OF64)3 to be Sr15Al6(OF24)2" +mp-1191489,CaAl2(OF)4,-6.1183406118,-2.7611204068,0.4065239515,0.4065239515,GGA,C2/c,A2BC4D4_mC44_15_ce_e_2f_2f:Al-Ca-F-O,22.0,A2BC4D4_mC44_15_ae_e_2f_2f:Al-Ca-F-O +mp-1227590,Ca2Al3O6F,-7.4483823004,-3.5450874267,0.0130034487,0.0130034487,GGA,P-1,A3B2CD6_aP48_2_6i_4i_2i_12i:Al-Ca-F-O,48.0,"Invalid WP multiplicities - A3B2CD6_aP48_2_12i_7i_4i_24i:Al-Ca-F-O, expected Ca7Al12(O6F)4 to be Ca2Al3O6F" +mp-1227337,Ca6Al7O16F,-7.4765916445,-3.4995540299,0.0,-0.0123151982,GGA,I-42d,A7B6CD16_tI120_122_ade_c2d_b_4e:Al-Ca-F-O,60.0,"Invalid WP multiplicities - A7B6CD16_tI120_122_ade_c3d_b_5e:Al-Ca-F-O, expected Ca8Al7O20F to be Ca6Al7O16F" +mp-1218613,Sr7Ca2Al3(O4F)3,-6.85110903,-3.4374392944,0.0292234081,0.0292234081,GGA,P1,A3B2C3D12E7_aP54_1_6a_4a_6a_24a_14a:Al-Ca-F-O-Sr,54.0,A3B2C3D12E7_aP54_1_6a_4a_6a_24a_14a:Al-Ca-F-O-Sr +mp-15736,Sr3AlO4F,-6.8119948456,-3.4217404008,0.0110069614,0.0110069614,GGA,I4/mcm,ABC4D3_tI36_140_b_c_l_ah:Al-F-O-Sr,18.0,ABC4D3_tI36_140_b_c_l_ah:Al-F-O-Sr +mp-1182082,CaAl(OF2)2,-5.7276954569,-2.8163868316,0.4341262179,0.4341262179,GGA,P-1,ABC4D2_aP16_2_i_i_4i_2i:Al-Ca-F-O,16.0,ABC4D2_aP16_2_i_i_4i_2i:Al-Ca-F-O +mp-1218862,Sr2CaAlO4F,-6.8728775228,-3.4475001418,0.0361202309,0.0361202309,GGA,Fmmm,ABCD4E2_oF72_69_g_h_c_no_fi:Al-Ca-F-O-Sr,18.0,"Invalid WP multiplicities - ABCD4E2_oF72_69_g_h_c_2n2o_fi:Al-Ca-F-O-Sr, expected Sr2CaAlO8F to be Sr2CaAlO4F" +mp-1046808,Sr2YAlNi2O7,-7.3235585338,-2.7252409809,0.0649325586,0.0649325586,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Ni-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Ni-O-Sr-Y +mp-1518352,CaEuZrVO6,-9.139554885,-3.1821208203,0.1371704635,0.1371704635,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-Zr +mp-1043481,MgNiBiP2O9,-7.0263842773,-2.2715479006,0.1318029225,0.1318029225,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Bi-Mg-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Bi-Mg-Ni-O-P +mp-1028329,Mg14NiBi,-1.9999798044,0.0015543525,0.0839984771,0.0839984771,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Ni, expected Mg18NiBi to be Mg14NiBi" +mp-1028325,Mg14NiBi,-1.9996116044,0.0019225525,0.0843666771,0.0843666771,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Ni, expected Mg26NiBi to be Mg14NiBi" +mp-1021703,Mg6NiBi,-2.3892631513,0.0135251125,0.1538295431,0.1538295431,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Ni, expected Mg12NiBi to be Mg6NiBi" +mp-1021972,Mg6NiBi,-2.4036337619,-0.0008454981,0.1394589325,0.1394589325,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Ni, expected Mg12NiBi to be Mg6NiBi" +mp-1044415,MgNiBiO5,-6.0435570128,-1.5492633358,0.1055543398,0.1055543398,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Mg-Ni-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Mg-Ni-O, expected MgNiBiO15 to be MgNiBiO5" +mp-1042799,MgNiBiO5,-5.9277827498,-1.4334890728,0.2213286028,0.2213286028,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Mg-Ni-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Mg-Ni-O, expected MgNiBiO31 to be MgNiBiO5" +mp-1036845,Mg30NiBiO32,-6.2512500561,-2.8774521487,0.0703708733,0.0703708733,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Bi-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Bi-Mg-Ni-O, expected Mg110NiBiO72 to be Mg30NiBiO32" +mp-1036862,Mg30NiBiO32,-6.2503482223,-2.876550315,0.071272707,0.071272707,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Bi-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Bi-Mg-Ni-O, expected Mg90NiBiO80 to be Mg30NiBiO32" +mp-2217787,MgNi2(BiO3)2,-6.1658168682,-1.5729383284,0.1837602714,0.1837602714,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Bi-Mg-Ni-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Bi-Mg-Ni-O +mp-2217671,MgNi2(BiO3)2,-6.1307519155,-1.5378733757,0.2188252241,0.2188252241,GGA+U,R3,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Ni-O,11.0,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Ni-O +mp-2217985,MgNi2(BiO3)2,-6.0778383555,-1.4849598157,0.2717387841,0.2717387841,GGA+U,R3,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Ni-O,11.0,A2BC2D6_hR33_146_2a_a_2a_2b:Bi-Mg-Ni-O +mp-29733,MgNiBi,-3.9571268367,-0.2168248833,0.0,-0.040014952,GGA,F-43m,ABC_cF12_216_a_b_c:Bi-Mg-Ni,3.0,ABC_cF12_216_a_b_c:Bi-Mg-Ni +mp-2231630,MgNi2(BiO3)4,-5.9884596074,-1.363050425,0.174638203,0.174638203,GGA+U,Cm,A4BC2D12_mC38_8_4a_a_2a_6a3b:Bi-Mg-Ni-O,19.0,"Invalid WP multiplicities - A4BC2D12_mC38_8_4a_a_2a_6a6b:Bi-Mg-Ni-O, expected MgNi2(Bi2O9)2 to be MgNi2(BiO3)4" +mp-2230926,MgNi2(BiO3)4,-6.0014090137,-1.3759998313,0.1616887967,0.1616887967,GGA+U,P2/m,A4BC2D12_mP19_10_jk_b_ce_mn2o:Bi-Mg-Ni-O,19.0,"Invalid WP multiplicities - A4BC2D12_mP19_10_ik_e_bc_2m2n3o:Bi-Mg-Ni-O, expected MgNi2(BiO5)4 to be MgNi2(BiO3)4" +mp-2231397,MgNi2(BiO3)4,-5.9532871963,-1.3278780139,0.2098106141,0.2098106141,GGA+U,Amm2,A4BC2D12_oC38_38_2c_a_ab_2b2cdf:Bi-Mg-Ni-O,19.0,"Invalid WP multiplicities - A4BC2D12_oC38_38_2c_a_ab_2b2c2df:Bi-Mg-Ni-O, expected MgNi2(Bi2O7)2 to be MgNi2(BiO3)4" +mp-2230641,MgNi2(BiO3)4,-5.9638092295,-1.3384000471,0.1992885809,0.1992885809,GGA+U,P-4,A4BC2D12_tP19_81_2g_a_g_3h:Bi-Mg-Ni-O,19.0,"Invalid WP multiplicities - A4BC2D12_tP19_81_4g_a_g_10h:Bi-Mg-Ni-O, expected MgNi2(BiO5)8 to be MgNi2(BiO3)4" +mp-1031681,Mg6NiBiO8,-5.9778816125,-2.303143125,0.326028065,0.326028065,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Bi-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Bi-Mg-Ni-O, expected Mg6NiBiO12 to be Mg6NiBiO8" +mp-1031703,Mg6NiBiO8,-6.0398461225,-2.365107635,0.264063555,0.264063555,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Bi-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Bi-Mg-Ni-O, expected Mg6NiBiO12 to be Mg6NiBiO8" +mp-1034577,Mg14NiBiO16,-6.1635514387,-2.6894400047,0.15216574,0.15216574,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Bi-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Bi-Mg-Ni-O, expected Mg18NiBiO20 to be Mg14NiBiO16" +mp-1034668,Mg14NiBiO16,-6.1605734481,-2.6864620141,0.1551437306,0.1551437306,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Bi-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Bi-Mg-Ni-O, expected Mg30NiBiO32 to be Mg14NiBiO16" +mp-1226148,Eu3YMn4O12,-9.4038488135,-2.7415587027,0.0124516692,0.0124516692,GGA+U,Pm,A3B4C12D_mP20_6_a2b_2c_2a2b4c_a:Eu-Mn-O-Y,20.0,"Invalid WP multiplicities - A3B4C12D_mP20_6_a2b_4c_2a2b8c_a:Eu-Mn-O-Y, expected Eu3YMn8O20 to be Eu3YMn4O12" +mp-770939,Li3FeAsCO7,-6.8618239667,-2.0378705293,0.0483761117,0.0483761117,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Fe-Li-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Fe-Li-O +mp-770902,LiFeAsCO7,-7.0717139318,-1.7177549361,0.0671058389,0.0671058389,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Fe-Li-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Fe-Li-O, expected LiFeAsCO13 to be LiFeAsCO7" +mp-771027,Li2FeAsCO7,-7.0214579265,-1.9545852748,0.0231361064,0.0231361064,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Fe-Li-O,48.0,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Fe-Li-O +mp-1046441,SrCaMn(PO4)2,-7.9239192642,-3.0579790082,0.0136628478,0.0136628478,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Mn-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Mn-O-P-Sr, expected SrCaMn(PO7)2 to be SrCaMn(PO4)2" +mp-1343780,SrCaMn(PO4)2,-4.8877807465,-0.0218404905,3.0498013655,3.0498013655,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Mn-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Mn-O-P-Sr, expected SrCaMn(PO7)2 to be SrCaMn(PO4)2" +mp-1219429,Sc2CO,-8.779778755,-2.0697056516,0.0,-0.1330108276,GGA,R-3m,ABC2_hR12_166_a_b_c:C-O-Sc,4.0,ABC2_hR12_166_a_b_c:C-O-Sc +mp-1005666,Sc3Al3C2O5,-8.2134195335,-2.5653495838,0.0174737037,0.0174737037,GGA,P6_3/mmc,A3B2C5D3_hP26_194_bf_f_cef_af:Al-C-O-Sc,26.0,A3B2C5D3_hP26_194_bf_f_cef_af:Al-C-O-Sc +mp-1095751,LiSc2Al,-2.2857114375,2.2941477892,2.5573584842,2.5573584842,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Li-Sc,4.0,ABC2_oI8_71_a_b_e:Al-Li-Sc +mp-972937,ScAlCO,-7.93158851,-1.8682387253,0.0155245325,-0.0123893764,GGA,R-3m,ABCD_hR24_166_c_c_c_ab:Al-C-O-Sc,8.0,ABCD_hR24_166_c_c_c_ab:Al-C-O-Sc +mp-1080747,ScAlCO,-7.9471130425,-1.8837632578,0.0,-0.0279139089,GGA,P6_3mc,ABCD_hP8_186_a_b_a_b:Al-C-O-Sc,8.0,ABCD_hP8_186_a_b_a_b:Al-C-O-Sc +mp-1235105,LiSc2Al2(CO)2,-6.6392397656,-1.0374929718,0.6644664945000001,0.6644664945000001,GGA,C2/m,A2B2CD2E2_mC18_12_i_i_a_i_bc:Al-C-Li-O-Sc,9.0,A2B2CD2E2_mC18_12_i_i_b_i_ac:Al-C-Li-O-Sc +mp-1235805,LiSc2Al2(CO)2,-6.52005639,-0.9183095962,0.7836498701,0.7836498701,GGA,C2/m,A2B2CD2E2_mC18_12_i_i_a_i_bc:Al-C-Li-O-Sc,9.0,A2B2CD2E2_mC18_12_i_i_b_i_ac:Al-C-Li-O-Sc +mp-1235321,LiSc2Al2(CO)2,-7.1554587278,-1.553711934,0.1482475323,0.1482475323,GGA,R3m,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc,9.0,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc +mp-1236075,LiSc2Al2(CO)2,-6.9709951211,-1.3692483273,0.3327111389,0.3327111389,GGA,R3m,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc,9.0,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc +mp-1236668,LiSc2Al2(CO)2,-7.1746022733,-1.5728554795,0.1291039867,0.1291039867,GGA,R3m,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc,9.0,A2B2CD2E2_hR27_160_2a_2a_a_2a_2a:Al-C-Li-O-Sc +mp-1219436,Sc2Al4(CO)3,-7.4685804325,-1.6208050874,0.1419132499,0.1419132499,GGA,R3m,A4B3C3D2_hR36_160_4a_3a_3a_2a:Al-C-O-Sc,12.0,A4B3C3D2_hR36_160_4a_3a_3a_2a:Al-C-O-Sc +mp-1198568,Sc(CO2)3,-7.99470746,-1.624847675,0.5625084831,0.5625084831,GGA,P2_1/c,A3B6C_mP40_14_3e_6e_ad:C-O-Sc,40.0,A3B6C_mP40_14_3e_6e_ad:C-O-Sc +mp-775289,Mn3CrCu2(PO4)6,-7.6888708594,-2.2294861151,0.1712264031,0.1712264031,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Cr-Cu-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_22b_2b:Cr-Cu-Mn-O-P, expected Mn3CrCu2(PO11)6 to be Mn3CrCu2(PO4)6" +mp-776120,Mn3Cr2Cu(PO4)6,-7.9192519228,-2.3055938229,0.3292008036,0.3292008036,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Cr-Cu-Mn-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_22b_2b:Cr-Cu-Mn-O-P, expected Mn3Cr2Cu(PO11)6 to be Mn3Cr2Cu(PO4)6" +mp-1520524,NaSrTbVO6,-7.361741468,-2.7206991496,0.1958331467,0.1958331467,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-Tb-V,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-Tb-V +mp-1176478,Mn3CoNi2(PO4)6,-7.687032965,-2.2049501555,0.046585166,0.046585166,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Co-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Co-Mn-Ni-O-P, expected Mn3CoNi2(PO11)6 to be Mn3CoNi2(PO4)6" +mp-758256,Mn3Co2Ni(PO4)6,-7.7007665725,-2.1817898432,0.0787566488,0.0787566488,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Co-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_20b_2b:Co-Mn-Ni-O-P, expected Mn3Co2Ni(PO10)6 to be Mn3Co2Ni(PO4)6" +mp-1225235,Fe4CuNiO8,-7.4034490021,-1.4510962964,0.0895118382,0.0895118382,GGA+U,C2/m,AB4CD8_mC28_12_a_ei_c_2ij:Cu-Fe-Ni-O,14.0,"Invalid WP multiplicities - AB4CD8_mC28_12_c_ei_b_4i2j:Cu-Fe-Ni-O, expected Fe4CuNiO16 to be Fe4CuNiO8" +mp-767442,Fe3CuNi2(PO4)6,-7.4505241764,-2.1096939606,0.0597352005,0.0597352005,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cu-Fe-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cu-Fe-Ni-O-P, expected Fe3CuNi2(PO11)6 to be Fe3CuNi2(PO4)6" +mp-16164,Dy3Si3O10F,-8.5138861288,-3.7212578529,0.0,-0.0138422269,GGA,P2_1/c,A3BC10D3_mP68_14_3e_e_10e_3e:Dy-F-O-Si,68.0,"Invalid WP multiplicities - A3BC10D3_mP68_14_3e_e_12e_6e:Dy-F-O-Si, expected Dy3Si6O12F to be Dy3Si3O10F" +mp-1192543,Na5Dy4Si4O16F,-7.58489505,-3.3249102402,0.0,-0.0126273082,GGA,I-4,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Dy-F-Na-O-Si,30.0,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Dy-F-Na-O-Si +mp-2215811,MgTiV2CrO10,-8.3061217553,-2.5205538361,0.1250906256,0.1250906256,GGA+U,C2,ABC10DE2_mC30_5_a_b_5c_a_c:Cr-Mg-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_mC30_5_a_b_8c_a_c:Cr-Mg-O-Ti-V, expected MgTiV2CrO16 to be MgTiV2CrO10" +mp-2215858,MgTiV2CrO10,-8.2105305393,-2.4249626201,0.2206818416,0.2206818416,GGA+U,Pm,ABC10DE2_mP15_6_b_a_3a3b2c_a_ab:Cr-Mg-O-Ti-V,15.0,ABC10DE2_mP15_6_b_a_3a3b2c_a_ab:Cr-Mg-O-Ti-V +mp-2215783,MgTiV2CrO10,-8.1980424027,-2.4124744834,0.2331699783,0.2331699783,GGA+U,P-4m2,ABC10DE2_tP15_115_a_c_gjk_b_g:Cr-Mg-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_tP15_115_a_c_2g2j2k_b_g:Cr-Mg-O-Ti-V, expected MgTiV2CrO20 to be MgTiV2CrO10" +mp-2215802,MgTiV2CrO10,-8.2282427927,-2.4426748734,0.2029695883,0.2029695883,GGA+U,P-4m2,ABC10DE2_tP15_115_b_c_gjk_a_g:Cr-Mg-O-Ti-V,15.0,"Invalid WP multiplicities - ABC10DE2_tP15_115_b_c_2g2j2k_a_g:Cr-Mg-O-Ti-V, expected MgTiV2CrO20 to be MgTiV2CrO10" +mp-1190377,Er2ZnTe2(SO7)2,-6.8644317876,-2.3783206111,0.0059415383,0.0059415383,GGA,P-1,A2B14C2D2E_aP21_2_i_7i_i_i_a:Er-O-S-Te-Zn,21.0,A2B14C2D2E_aP21_2_i_7i_i_i_a:Er-O-S-Te-Zn +mp-1192811,Er2ZnS4,-5.8342793596,-1.9855678314,0.0085300552,0.0085300552,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Er-S-Zn,28.0,A2B4C_oP28_62_ac_2cd_c:Er-S-Zn +mp-1019546,BaY4Si5O17,-8.7723148446,-3.623975673,0.0051847047,0.0051847047,GGA,P2_1/m,AB17C5D4_mP54_11_e_a2e7f_e2f_2f:Ba-O-Si-Y,54.0,AB17C5D4_mP54_11_e_a2e7f_e2f_2f:Ba-O-Si-Y +mp-1019523,Ba3NaY3(Si3O10)2,-8.2813318821,-3.4945274622,0.0,-0.0081511181,GGA,Ama2,A3BC20D6E3_oC132_40_bc_b_4b8c_2b2c_ac:Ba-Na-O-Si-Y,66.0,A3BC20D6E3_oC132_40_bc_b_4b8c_2b2c_ac:Ba-Na-O-Si-Y +mp-560478,BaY2Si3O10,-8.6316680263,-3.5944956282,0.0,-0.0007904371,GGA,P2_1/m,AB10C3D2_mP32_11_e_2e4f_ef_f:Ba-O-Si-Y,32.0,"Invalid WP multiplicities - AB10C3D2_mP32_11_e_4e12f_e2f_f:Ba-O-Si-Y, expected BaY2Si5O28 to be BaY2Si3O10" +mp-1019533,Ba9Y2(SiO4)6,-7.87325949,-3.447011833,0.0053502998,0.0053502998,GGA,R-3,A9B24C6D2_hR123_148_acf_4f_f_c:Ba-O-Si-Y,41.0,A9B24C6D2_hR123_148_acf_4f_f_c:Ba-O-Si-Y +mp-1219841,Ru2Au2N10Cl12O,-4.4113707119,0.6105051015,1.1598427203,1.1598427203,GGA,C2,A2B12C10DE2_mC54_5_ab_2a5c_5c_b_c:Au-Cl-N-O-Ru,27.0,"Invalid WP multiplicities - A2B12C10DE2_mC54_5_ab_2a5c_7c_b_c:Au-Cl-N-O-Ru, expected Ru2Au2N14Cl12O to be Ru2Au2N10Cl12O" +mp-1194695,Hg2Te4Kr3(O2F13)2,-3.8353173337,-1.7113189667,0.177255825,0.177255825,GGA,P2_1/c,A26B2C3D4E4_mP78_14_13e_e_ae_2e_2e:F-Hg-Kr-O-Te,78.0,A26B2C3D4E4_mP78_14_13e_e_ae_2e_2e:F-Hg-Kr-O-Te +mp-1047850,BaMgVF7,-6.2990332162,-3.700681833,0.0,-0.0138410482,GGA+U,P2_1/c,AB7CD_mP40_14_e_7e_e_e:Ba-F-Mg-V,40.0,"Invalid WP multiplicities - AB7CD_mP40_14_e_23e_e_e:Ba-F-Mg-V, expected BaMgVF23 to be BaMgVF7" +mp-1357073,Ba2MgV2CuF14,-6.103027249,-3.3797295347,0.0235870035,0.0235870035,GGA+U,C2/c,A2BC14DE2_mC80_15_f_a_7f_e_f:Ba-Cu-F-Mg-V,40.0,"Invalid WP multiplicities - A2BC14DE2_mC80_15_f_c_24f_e_f:Ba-Cu-F-Mg-V, expected Ba2MgV2CuF48 to be Ba2MgV2CuF14" +mp-1224171,Hg11I2BrClO4,-2.0962356705,-0.5448916416,0.0,-0.0042143109,GGA,P1,ABC11D2E4_aP19_1_a_a_11a_2a_4a:Br-Cl-Hg-I-O,19.0,ABC11D2E4_aP19_1_a_a_11a_2a_4a:Br-Cl-Hg-I-O +mp-727800,Hg3I2ClO6,-3.4366981858,-0.487827959,0.3005783692,0.3005783692,GGA,P2_1/c,AB3C2D6_mP48_14_e_3e_2e_6e:Cl-Hg-I-O,48.0,AB3C2D6_mP48_14_e_3e_2e_6e:Cl-Hg-I-O +mp-753954,CdCuH8(ClO)4,-4.5255507017,-1.2286170197,0.0282260433,0.0282260433,GGA,P-1,AB4CD8E4_aP18_2_b_2i_d_4i_2i:Cd-Cl-Cu-H-O,18.0,"Invalid WP multiplicities - AB4CD8E4_aP18_2_b_3i_d_7i_3i:Cd-Cl-Cu-H-O, expected CdCuH14(ClO)6 to be CdCuH8(ClO)4" +mp-510279,ZnAsHPbO5,-5.8827600667,-1.6874624349,0.0,-0.0063852282,GGA,P2_12_12_1,ABC5DE_oP36_19_a_a_5a_a_a:As-H-O-Pb-Zn,36.0,ABC5DE_oP36_19_a_a_5a_a_a:As-H-O-Pb-Zn +mp-4744,Ca(NiAs)2,-5.242648662,-0.665826652,0.0,-0.0385549772,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:As-Ca-Ni,5.0,A2BC2_tI10_139_e_a_d:As-Ca-Ni +mp-505457,CaNiAsHO5,-6.5703851308,-2.0624935124,0.0,-0.0333582381,GGA+U,P2_12_12_1,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-H-Ni-O,36.0,ABCDE5_oP36_19_a_a_a_a_5a:As-Ca-H-Ni-O +mp-1191589,Ca2Ni12As7,-5.5171696581,-0.4701854317,0.0,-0.0329138206,GGA,P-6,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ca-Ni,21.0,A7B2C12_hP21_174_ajk_cf_2j2k:As-Ca-Ni +mp-1042887,CaNiAs2O7,-6.7357530309,-2.0329535447,0.0180718961,0.0180718961,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Ni-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Ni-O +mp-1344634,CaNiAsO5,-6.6296903678,-1.9824030527,0.0533933743,0.0533933743,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Ni-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Ni-O +mp-1047505,Ca3Ni3(AsO4)4,-6.7653924935,-2.1061346981,0.0155995005,0.0155995005,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Ni-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Ni-O, expected Ca3Ni3(As5O29)2 to be Ca3Ni3(AsO4)4" +mp-1214157,Ca5Ni9As7,-5.1461112057,-0.6383465221,0.0092456498,0.0092456498,GGA,P-6,A7B5C9_hP21_174_ajk_cfk_2jk:As-Ca-Ni,21.0,A7B5C9_hP21_174_ajk_cfk_2jk:As-Ca-Ni +mp-22067,Ba2CuGe2O7,-6.7026999662,-2.3851971964,0.0193451417,0.0193451417,GGA,P-42_1m,A2BC2D7_tP24_113_e_a_e_cef:Ba-Cu-Ge-O,24.0,"Invalid WP multiplicities - A2BC2D7_tP24_113_e_a_e_c2ef:Ba-Cu-Ge-O, expected Ba2CuGe2O9 to be Ba2CuGe2O7" +mp-1200513,BaCu2Ge3(HO5)2,-6.3311494083,-1.8734376835,0.0207671047,0.0207671047,GGA,Cmcm,AB2C3D2E10_oC72_63_c_d_af_f_2c2fh:Ba-Cu-Ge-H-O,36.0,AB2C3D2E10_oC72_63_c_d_af_f_2c2fh:Ba-Cu-Ge-H-O +mp-542101,BaCu2Ge2O7,-6.46842468,-1.9692359326,0.0102253766,0.0102253766,GGA,Pnma,AB2C2D7_oP48_62_c_d_d_c3d:Ba-Cu-Ge-O,48.0,AB2C2D7_oP48_62_c_d_d_c3d:Ba-Cu-Ge-O +mp-1195317,Ba3B3Pb2ClO9,-7.1877161581,-2.7660978617,0.0,-0.0144770739,GGA,C222_1,A3B3CD9E2_oC72_20_ac_a2b_b_a4c_c:B-Ba-Cl-O-Pb,36.0,A3B3CD9E2_oC72_20_ac_a2b_b_a4c_c:B-Ba-Cl-O-Pb +mp-1211565,KEr(MoO4)2,-8.1167990912,-2.5382217857,0.0131734613,-0.0184570117,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:Er-K-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:Er-K-Mo-O +mp-1211601,KEr(MoO4)2,-8.1299725525,-2.5513952469,0.0,-0.031630473,GGA+U,Pbcn,ABC2D8_oP48_60_c_c_d_4d:Er-K-Mo-O,48.0,ABC2D8_oP48_60_c_c_d_4d:Er-K-Mo-O +mp-1211563,KLiEr2(MoO4)4,-8.1416698729,-2.5298207373,0.0140069973,0.0140069973,GGA+U,C2/c,A2BCD4E16_mC96_15_f_e_e_2f_8f:Er-K-Li-Mo-O,48.0,A2BCD4E16_mC96_15_f_e_e_2f_8f:Er-K-Li-Mo-O +mp-1518711,KLaHfFeO6,-8.231142547,-2.815767691,0.1168609395,0.1168609395,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Fe-Hf-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Fe-Hf-K-La-O +mp-559454,Cs2KFeF6,-5.235374838,-2.9513649674,0.0,-0.044793906,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-K,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-Fe-K +mp-1112185,K2LiFeF6,-5.387897414,-2.9810358364,0.0,-0.0193177358,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Li,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Li +mp-561000,Cs4KLiFe2F12,-5.2790900165,-2.9551539499,0.0,-0.0066101291,GGA+U,R-3m,A4B12C2DE_hR60_166_2c_2h_c_a_b:Cs-F-Fe-K-Li,20.0,A4B12C2DE_hR60_166_2c_2h_c_a_b:Cs-F-Fe-K-Li +mp-743878,Fe2Te4H3ClO12,-6.0703584523,-1.4839836648,0.0,-0.0003564401,GGA+U,P-1,AB2C3D12E4_aP22_2_a_i_ci_6i_2i:Cl-Fe-H-O-Te,22.0,AB2C3D12E4_aP22_2_a_i_ci_6i_2i:Cl-Fe-H-O-Te +mp-1212800,Fe2Te4HClO12,-6.1001580475,-1.3944183858,0.1253236368,0.1253236368,GGA+U,P-1,AB2CD12E4_aP20_2_a_i_c_6i_2i:Cl-Fe-H-O-Te,20.0,AB2CD12E4_aP20_2_a_i_c_6i_2i:Cl-Fe-H-O-Te +mp-1522034,NaEuNbWO6,-9.080577145,-2.6486676819,0.0812848027,0.0812848027,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-Na-Nb-O-W +mp-27368,NaLi5Sn4,-2.946667428,-0.2561247233,0.082928594,0.082928594,GGA,R3m,A5BC4_hR30_160_5a_a_4a:Li-Na-Sn,10.0,A5BC4_hR30_160_5a_a_4a:Li-Na-Sn +mp-570946,Na2Li5Sn4,-2.8110015436,-0.2448240582,0.0893860093,0.0893860093,GGA,R-3m,A5B2C4_hR66_166_5c_2c_4c:Li-Na-Sn,22.0,"Invalid WP multiplicities - A5B2C4_hR66_166_10c_3c_8c:Li-Na-Sn, expected Na3(Li5Sn4)2 to be Na2Li5Sn4" +mp-1015061,NaLi2Sn,-2.2747673525,0.0127183679,0.3300840898,0.3300840898,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Na-Sn,4.0,A2BC_oI8_71_e_a_b:Li-Na-Sn +mp-1186135,NaLi2Sn,-2.5803636225,-0.2928779021,0.0244878198,0.0244878198,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Na-Sn,4.0,A2BC_cF16_225_c_a_b:Li-Na-Sn +mp-780775,Sr3Li3Cu3(PO4)4,-6.870401389,-2.5982255829,0.103849708,0.103849708,GGA,Pc,A3B3C16D4E3_mP58_7_3a_3a_16a_4a_3a:Cu-Li-O-P-Sr,58.0,A3B3C16D4E3_mP58_7_6a_6a_32a_8a_6a:Cu-Li-O-P-Sr +mp-631442,V2CuBr,-5.4611319125,0.4938798725,0.968199435,0.968199435,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Br-Cu-V,4.0,ABC2_cF16_225_a_b_c:Br-Cu-V +mp-1195498,Ba2V2CuBrO8,-7.2245561784,-2.4223056991,0.0352214873,0.0352214873,GGA+U,Pnma,A2BCD8E2_oP56_62_2c_c_a_4c2d_2c:Ba-Br-Cu-O-V,56.0,A2BCD8E2_oP56_62_2c_c_a_4c2d_2c:Ba-Br-Cu-O-V +mp-1234020,Sr2MgV2(Si2O7)2,-7.9347500609,-2.9737938359,0.205158857,0.205158857,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Mg-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Mg-O-Si-Sr-V +mp-1234246,Sr2MgV2(Si2O7)2,-7.9645559335,-3.0035997085,0.1753529844,0.1753529844,GGA+U,P1,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Mg-O-Si-Sr-V,23.0,AB14C4D2E2_aP23_1_a_14a_4a_2a_2a:Mg-O-Si-Sr-V +mp-1233213,Sr2MgV2(Si2O7)2,-7.9646876183,-3.0037313933,0.1752212996,0.1752212996,GGA+U,C2,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Mg-O-Si-Sr-V,23.0,AB14C4D2E2_mC46_5_a_ab6c_2c_c_c:Mg-O-Si-Sr-V +mp-1233096,Sr2MgV2(Si2O7)2,-7.904702823,-2.9437465981,0.2352060948,0.2352060948,GGA+U,Pm,AB14C4D2E2_mP23_6_a_2a2b5c_2c_ab_ab:Mg-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_mP23_6_a_2a2b9c_3c_ab_ab:Mg-O-Si-Sr-V, expected Sr2MgV2(Si3O11)2 to be Sr2MgV2(Si2O7)2" +mp-1233416,Sr2MgV2(Si2O7)2,-7.8874899926,-2.9265337676,0.2524189253,0.2524189253,GGA+U,Pm,AB14C4D2E2_mP23_6_a_2a2b5c_2c_ab_ab:Mg-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_mP23_6_a_2a2b9c_3c_ab_ab:Mg-O-Si-Sr-V, expected Sr2MgV2(Si3O11)2 to be Sr2MgV2(Si2O7)2" +mp-1233550,Sr2MgV2(Si2O7)2,-7.8451341091,-2.8841778842,0.2947748088,0.2947748088,GGA+U,Amm2,AB14C4D2E2_oC46_38_a_2a2bc2f_2c_ab_ab:Mg-O-Si-Sr-V,23.0,"Invalid WP multiplicities - AB14C4D2E2_oC46_38_a_2a2bc6f_3c_ab_ab:Mg-O-Si-Sr-V, expected Sr2MgV2(SiO5)6 to be Sr2MgV2(Si2O7)2" +mp-703231,CdFe2Sb2(PO4)6,-7.4211129797,-2.3547907291,0.0,-0.0194519477,GGA+U,R-3,AB2C24D6E2_hR105_148_a_c_4f_f_c:Cd-Fe-O-P-Sb,35.0,"Invalid WP multiplicities - AB2C24D6E2_hR105_148_a_c_15f_f_c:Cd-Fe-O-P-Sb, expected CdFe2Sb2(PO15)6 to be CdFe2Sb2(PO4)6" +mp-1020683,NaCa(PO3)3,-7.4385262125,-2.86079542,0.0,-0.0031759844,GGA,P-1,ABC9D3_aP28_2_i_i_9i_3i:Ca-Na-O-P,28.0,ABC9D3_aP28_2_i_i_9i_3i:Ca-Na-O-P +mp-1221168,NaCa10(PO4)7,-7.5857177688,-3.2861759089,0.0,-0.0036732755,GGA,R3,A10BC28D7_hR276_146_2a6b_2a_2a18b_2a4b:Ca-Na-O-P,92.0,A10BC28D7_hR276_146_2a6b_2a_2a18b_2a4b:Ca-Na-O-P +mp-542280,Na4Ca(PO3)6,-7.1911797928,-2.7492517619,0.0,-0.0017769828,GGA,C2/c,AB4C18D6_mC116_15_e_2f_9f_3f:Ca-Na-O-P,58.0,AB4C18D6_mC116_15_e_2f_9f_3f:Ca-Na-O-P +mp-14401,NaCaPO4,-7.111301132,-3.0358464856,0.0,-0.010262352,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Ca-Na-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_3a_4a_14a_6a:Ca-Na-O-P, expected Na4Ca3(P3O7)2 to be NaCaPO4" +mp-1180413,Na2CaP2O11,-5.9535142669,-1.5853373104,0.5829628116000001,0.5829628116000001,GGA,Pc,AB2C11D2_mP32_7_a_2a_11a_2a:Ca-Na-O-P,32.0,AB2C11D2_mP32_7_a_2a_11a_2a:Ca-Na-O-P +mp-1202087,Na2CaP2O11,-5.9813067116,-1.6131297551,0.5551703669,0.5551703669,GGA,Cc,AB2C11D2_mC64_9_a_2a_11a_2a:Ca-Na-O-P,32.0,AB2C11D2_mC64_9_a_2a_11a_2a:Ca-Na-O-P +mp-1193943,Na2Ca(PO4)2,-6.7876174985,-2.5529432546,0.1157338186,0.1157338186,GGA,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Ca-Na-O-P,26.0,AB2C8D2_mP26_4_a_2a_8a_2a:Ca-Na-O-P +mp-1181353,Na4Ca2P8O35,-6.3012430497,-1.6942670113,0.4802986058,0.4802986058,GGA,Pma2,A2B4C35D8_oP98_28_ac_2d_3c16d_4d:Ca-Na-O-P,98.0,A2B4C35D8_oP98_28_ac_2d_3c16d_4d:Ca-Na-O-P +mp-727391,NaCa(PO2)3,-6.8731497873,-2.3960438817,0.2410505416,0.2410505416,GGA,P2_13,ABC6D3_cP44_198_a_a_2b_b:Ca-Na-O-P,44.0,ABC6D3_cP44_198_a_a_2b_b:Ca-Na-O-P +mp-541522,Na2Ca(PO3)4,-7.3117260166,-2.8030878572,0.0009572806,0.0009572806,GGA,P4/nbm,AB2C12D4_tP38_125_a_e_mn_l:Ca-Na-O-P,38.0,AB2C12D4_tP38_125_a_e_mn_l:Ca-Na-O-P +mp-562419,NaCa9Co(PO4)7,-7.5793303621,-3.1688598518,0.0094603323,0.0094603323,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Co-Na-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_16b_a_a_2a49b_2a6b:Ca-Co-Na-O-P, expected NaCa48CoP20O149 to be NaCa9Co(PO4)7" +mp-561260,Na2CaP2O7,-7.0664065342,-2.8910668293,0.0,-0.0037569571,GGA,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Ca-Na-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_4i_14i_2i:Ca-Na-O-P, expected Na4Ca(PO7)2 to be Na2CaP2O7" +mp-1519698,KEuDyBiO6,-7.3706238547,-2.4211429563,0.1714866414,0.1714866414,GGA,Pnnn,ABCDE6_oP40_48_e_f_ab_cd_3m:Bi-Dy-Eu-K-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_f_ab_2c2d_6m:Bi-Dy-Eu-K-O, expected K2EuDyBiO12 to be KEuDyBiO6" +mp-1519677,KEuDyBiO6,-7.351021445,-2.4015405466,0.1910890512,0.1910890512,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Bi-Dy-Eu-K-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Bi-Dy-Eu-K-O +mp-1523349,KCaSmSeO6,-6.457581216,-2.3565183453,0.2073911379,0.2073911379,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Se-Sm,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Se-Sm +mp-1235147,Sr2LiTi6N2O11,-8.7077675482,-3.0828844779,0.0838768133,0.0838768133,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti +mp-1235213,Sr2LiTi6N2O11,-8.6973207541,-3.0724376838,0.0943236074,0.0943236074,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti +mp-1235862,Sr2LiTi6N2O11,-8.6813926373,-3.056509567,0.1102517242,0.1102517242,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti +mp-1236627,Sr2LiTi6N2O11,-8.6628793173,-3.037996247,0.1287650442,0.1287650442,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Li-N-O-Sr-Ti +mp-532604,Na2Zr12B2I5Cl23,-5.8367642622,-2.0081411572,0.0,-0.051587025,GGA,Pc,A2B23C5D2E12_mP88_7_2a_23a_5a_2a_12a:B-Cl-I-Na-Zr,88.0,A2B23C5D2E12_mP88_7_2a_23a_5a_2a_12a:B-Cl-I-Na-Zr +mp-1210369,Nd3VGeO9,-8.398091507,-3.2172647481,0.0090525448,0.0090525448,GGA+U,P2_1/c,AB3C9D_mP56_14_e_3e_9e_e:Ge-Nd-O-V,56.0,AB3C9D_mP56_14_e_3e_9e_e:Ge-Nd-O-V +mp-977446,NdVGe3,-6.046551214,-0.5023238005,0.0176060042,0.0176060042,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Ge-Nd-V,10.0,A3BC_hP10_194_h_c_a:Ge-Nd-V +mp-1235743,K2LiNd4Nb2O12,-8.0325176795,-3.1389374364,0.1045135548,0.1045135548,GGA,P1,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Li-Nb-Nd-O,21.0,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Li-Nb-Nd-O +mp-1235519,K2LiNd4Nb2O12,-8.0756312862,-3.1820510431,0.0613999482,0.0613999482,GGA,C2,A2BC2D4E12_mC42_5_c_a_c_2c_2b5c:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_5_c_a_c_3c_2b8c:K-Li-Nb-Nd-O, expected K2LiNd6Nb2O18 to be K2LiNd4Nb2O12" +mp-1232987,K2LiNd4Nb2O12,-8.0268421229,-3.1332618797,0.1101891115,0.1101891115,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Li-Nb-Nd-O, expected K2LiNd4Nb2O22 to be K2LiNd4Nb2O12" +mp-1235576,K2LiNd4Nb2O12,-7.9970767267,-3.1034964835,0.1399545077,0.1399545077,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Li-Nb-Nd-O, expected K2LiNd4Nb2O22 to be K2LiNd4Nb2O12" +mp-1235739,K2LiNd4Nb2O12,-8.0287235043,-3.1351432612,0.1083077301,0.1083077301,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Li-Nb-Nd-O, expected K2LiNd4Nb2O22 to be K2LiNd4Nb2O12" +mp-1236260,K2LiNd4Nb2O12,-7.9972781452,-3.1036979021,0.1397530891,0.1397530891,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Li-Nb-Nd-O, expected K2LiNd4Nb2O22 to be K2LiNd4Nb2O12" +mp-1235034,K2LiNd4Nb2O12,-8.0761130638,-3.1825328207,0.0609181705,0.0609181705,GGA,C2/m,A2BC2D4E12_mC42_12_i_a_i_2i_hi2j:K-Li-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_12_i_a_i_3i_2hi6j:K-Li-Nb-Nd-O, expected K2LiNd6Nb2O30 to be K2LiNd4Nb2O12" +mp-556902,KLi4NbO5,-6.4624739482,-2.5005794927,0.0,-0.0176054032,GGA,P-1,AB4CD5_aP22_2_i_4i_i_5i:K-Li-Nb-O,22.0,"Invalid WP multiplicities - AB4CD5_aP22_2_i_7i_i_10i:K-Li-Nb-O, expected KLi7NbO10 to be KLi4NbO5" +mp-766938,K3Li2Nb5O15,-8.141025986,-2.8667900483,0.010796768,0.010796768,GGA,P4bm,A3B2C5D15_tP50_100_ac_c_bd_bc3d:K-Li-Nb-O,50.0,"Invalid WP multiplicities - A3B2C5D15_tP50_100_2a2c_c_2b2d_2b4c22d:K-Li-Nb-O, expected K3LiNb5O49 to be K3Li2Nb5O15" +mp-1198996,K3Li2Nb5O15,-8.1255053464,-2.8512694087,0.0263174076,0.0263174076,GGA,P4/mbm,A3B2C5D15_tP50_127_ag_g_cj_dhi2j:K-Li-Nb-O,50.0,A3B2C5D15_tP50_127_ag_g_cj_dhi2j:K-Li-Nb-O +mp-1178166,K2LiNbO4,-6.7621482094,-2.5099256287,0.0371142241,-0.0770397378,GGA,P1,A2BCD4_aP32_1_8a_4a_4a_16a:K-Li-Nb-O,32.0,A2BCD4_aP32_1_8a_4a_4a_16a:K-Li-Nb-O +mp-759900,K2LiNbO4,-6.7992624334,-2.5470398527,0.0,-0.1141539619,GGA,P2_1/c,A2BCD4_mP32_14_2e_e_e_4e:K-Li-Nb-O,32.0,"Invalid WP multiplicities - A2BCD4_mP32_14_7e_e_e_15e:K-Li-Nb-O, expected K7LiNbO15 to be K2LiNbO4" +mp-773049,K3LiNb6O15,-8.367535077,-2.7656038523,0.0857171686,0.0857171686,GGA,Pc,A3BC6D15_mP50_7_3a_a_6a_15a:K-Li-Nb-O,50.0,"Invalid WP multiplicities - A3BC6D15_mP50_7_4a_a_10a_28a:K-Li-Nb-O, expected K4LiNb10O28 to be K3LiNb6O15" +mp-1522963,KLiNb4O12,-8.3657723222,-2.655505294,0.1435037728,0.1435037728,GGA,P4/mmm,ABC4D12_tP18_123_a_d_i_efr:K-Li-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_tP18_123_a_d_i_2e2fr:K-Li-Nb-O, expected KLiNb4O16 to be KLiNb4O12" +mp-1209424,Rb2Hg3(GeS4)2,-3.8125276007,-0.7985433417000001,0.0,-0.013645602,GGA,P2_1/c,A2B3C2D8_mP30_14_e_ae_e_4e:Ge-Hg-Rb-S,30.0,A2B3C2D8_mP30_14_e_ae_e_4e:Ge-Hg-Rb-S +mp-1209596,Rb4Hg3Ge20,-3.699433717,-0.0959620694,0.0122501951,0.0122501951,GGA,Pm-3n,A20B3C4_cP54_223_ik_c_ad:Ge-Hg-Rb,54.0,A20B3C4_cP54_223_ik_c_ad:Ge-Hg-Rb +mp-1224162,K8Rb2Hg15(GeS4)10,-3.8223001223,-0.79446361,0.0037600373,0.0037600373,GGA,P1,A10B15C8D2E40_aP75_1_10a_15a_8a_2a_40a:Ge-Hg-K-Rb-S,75.0,A10B15C8D2E40_aP75_1_10a_15a_8a_2a_40a:Ge-Hg-K-Rb-S +mp-1219674,Rb8Hg3Ge43,-3.9462400356,-0.1028046385,0.0,-0.0125269834,GGA,R32,A43B3C8_hR162_155_2cd6f_e_cde:Ge-Hg-Rb,54.0,"Invalid WP multiplicities - A43B3C8_hR162_155_4cd28f_e_cde:Ge-Hg-Rb, expected Rb8Hg3Ge179 to be Rb8Hg3Ge43" +mp-11131,K2Hg3(GeS4)2,-3.8292983333,-0.7979987577000001,0.000144966,-0.0192600258,GGA,C2,A2B3C2D8_mC30_5_c_2ab_c_4c:Ge-Hg-K-S,15.0,"Invalid WP multiplicities - A2B3C2D8_mC30_5_c_2ab_c_5c:Ge-Hg-K-S, expected K2Hg3(GeS5)2 to be K2Hg3(GeS4)2" +mp-17792,K2Hg3(GeS4)2,-3.8294432993,-0.7981437237,0.0,-0.0194049918,GGA,Aea2,A2B3C2D8_oC60_41_b_ab_b_4b:Ge-Hg-K-S,30.0,A2B3C2D8_oC60_41_b_ab_b_4b:Ge-Hg-K-S +mp-1096164,KRbHg2,-0.36415607,0.3104173674,0.5428575446,0.5428575446,GGA,Immm,A2BC_oI8_71_e_a_b:Hg-K-Rb,4.0,A2BC_oI8_71_e_a_b:Hg-K-Rb +mp-21616,Mn4Be3Ge3SO12,-7.7526756404,-2.3078018261,0.0,-0.0268106274,GGA+U,P-43n,A3B3C4D12E_cP46_218_c_d_e_i_a:Be-Ge-Mn-O-S,46.0,A3B3C4D12E_cP46_218_c_d_e_i_a:Be-Ge-Mn-O-S +mp-1120808,Ti2ZnSn2O7,-7.4984142475,-2.5236898865,0.0720795711,0.0720795711,GGA,C2/c,A7B2C2D_mC48_15_e3f_f_f_e:O-Sn-Ti-Zn,24.0,A7B2C2D_mC48_15_e3f_f_f_e:O-Sn-Ti-Zn +mp-1043843,TiZnSn(PO4)3,-7.51928703,-2.587899278,0.0817331236,0.0817331236,GGA,R3c,A12B3CDE_hR108_161_4b_b_a_a_a:O-P-Sn-Ti-Zn,36.0,"Invalid WP multiplicities - A12B3CDE_hR108_161_18b_b_a_a_a:O-P-Sn-Ti-Zn, expected TiZnSn(PO18)3 to be TiZnSn(PO4)3" +mp-1120724,Ti4Zn3SnO12,-7.6365205655,-2.6999688012,0.1054203249,0.1054203249,GGA,Im-3,A12BC4D3_cI40_204_g_a_c_b:O-Sn-Ti-Zn,20.0,A12BC4D3_cI40_204_g_a_c_b:O-Sn-Ti-Zn +mp-1120723,Ti4Zn3SnO12,-7.307696614,-2.3711448497,0.4342442764,0.4342442764,GGA,Im-3m,A12BC4D3_cI40_229_h_a_c_b:O-Sn-Ti-Zn,20.0,A12BC4D3_cI40_229_h_a_c_b:O-Sn-Ti-Zn +mp-1120801,Ti2ZnSnO6,-7.727871804,-2.6538286274000003,0.1350270119,0.1350270119,GGA,P4_2/nmc,A6BC2D_tP40_137_f2g_d_e_ab:O-Sn-Ti-Zn,40.0,A6BC2D_tP40_137_f2g_d_e_ab:O-Sn-Ti-Zn +mp-1120807,Ti2Zn2SnO7,-7.2911309012,-2.545558894,0.0774215285,0.0774215285,GGA,Cmc2_1,A7BC2D2_oC48_36_a3b_a_b_b:O-Sn-Ti-Zn,24.0,A7BC2D2_oC48_63_cgh_c_g_e:O-Sn-Ti-Zn +mp-1120798,TiZnSnO4,-7.1375475271,-2.4301814805,0.0509929601,0.0509929601,GGA,Pna2_1,A4BCD_oP56_33_8a_2a_2a_2a:O-Sn-Ti-Zn,56.0,A4BCD_oP56_33_8a_2a_2a_2a:O-Sn-Ti-Zn +mp-1120822,TiZnSnO4,-6.9092368189,-2.2018707723,0.2793036683,0.2793036683,GGA,Pnma,A4BCD_oP28_62_4c_c_c_c:O-Sn-Ti-Zn,28.0,A4BCD_oP28_62_4c_c_c_c:O-Sn-Ti-Zn +mp-1120809,TiZnSnO4,-7.1357502486,-2.4283842019,0.0527902387,0.0527902387,GGA,P6_3,A4BCD_hP42_173_4c_a2b_c_c:O-Sn-Ti-Zn,42.0,A4BCD_hP42_173_4c_a2b_c_c:O-Sn-Ti-Zn +mp-1044314,CaTiCr(PO4)3,-8.2743526425,-2.988002008,0.0,-0.0090775904,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Cr-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Cr-O-P-Ti, expected CaTiCr(PO18)3 to be CaTiCr(PO4)3" +mp-695492,Ca2Fe3Sb(PO4)6,-7.726846065,-2.5948847111,0.0016649279,0.0016649279,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Ca-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Ca-Fe-O-P-Sb, expected Ca2Fe3Sb(PO10)6 to be Ca2Fe3Sb(PO4)6" +mp-698695,CaFe2Sb2(PO4)6,-7.5932635231,-2.4960066977,0.0,-0.0215458573,GGA+U,R-3,AB2C24D6E2_hR105_148_a_c_4f_f_c:Ca-Fe-O-P-Sb,35.0,"Invalid WP multiplicities - AB2C24D6E2_hR105_148_a_c_15f_f_c:Ca-Fe-O-P-Sb, expected CaFe2Sb2(PO15)6 to be CaFe2Sb2(PO4)6" +mp-1212702,Fe2As2H2PbO10,-6.7023251718,-1.6303683775,0.0185357003,0.0185357003,GGA+U,C2/m,A2B2C2D10E_mC34_12_i_f_i_3ij_a:As-Fe-H-O-Pb,17.0,A2B2C2D10E_mC34_12_i_e_i_3ij_a:As-Fe-H-O-Pb +mp-759009,Na5NiHO4,-4.6528858702,-1.4190455032,0.0107649116,0.0107649116,GGA+U,Pnma,AB5CD4_oP88_62_d_2c4d_2c_2c3d:H-Na-Ni-O,88.0,"Invalid WP multiplicities - AB5CD4_oP88_62_d_8c13d_5c_7c10d:H-Na-Ni-O, expected Na34Ni5H2O27 to be Na5NiHO4" +mp-1180472,Na2NiH4(SeO5)2,-5.0093112553,-0.8801111755000001,0.5639145768,0.5632584101,GGA+U,P-1,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-Na-Ni-O-Se,19.0,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-Na-Ni-O-Se +mp-1189952,Na2NiH4(SeO5)2,-5.5732258321,-1.4440257524,0.0,-0.0006561667,GGA+U,P-1,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-Na-Ni-O-Se,19.0,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-Na-Ni-O-Se +mp-1221027,NaNi2H3(SeO5)2,-5.7832561817,-1.3654958008,0.0,-0.0159633029,GGA+U,Cm,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-Se,36.0,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-Se +mp-1200668,Cu2Si2Pb7(S2O13)2,-6.5427541363,-1.9037959693,0.0273146849,0.0273146849,GGA,C2/m,A2B26C7D4E2_mC82_12_e_7i3j_a3i_2i_i:Cu-O-Pb-S-Si,41.0,A2B26C7D4E2_mC82_12_f_7i3j_a3i_2i_i:Cu-O-Pb-S-Si +mp-555818,Cu2SiPbS4,-4.9522363083,-0.7169640699000001,0.0100700554,0.0100700554,GGA,P3_221,A2BC4D_hP24_154_c_a_2c_b:Cu-Pb-S-Si,24.0,"Invalid WP multiplicities - A2BC4D_hP24_154_c_a_7c_b:Cu-Pb-S-Si, expected Cu2SiPbS14 to be Cu2SiPbS4" +mp-1173562,NaV3Fe2CuO12,-7.7696480289,-2.0341871275,0.0080738574,0.0080738574,GGA+U,P1,AB2CD12E3_aP38_1_2a_4a_2a_24a_6a:Cu-Fe-Na-O-V,38.0,AB2CD12E3_aP38_1_2a_4a_2a_24a_6a:Cu-Fe-Na-O-V +mp-770821,NaFeAsCO7,-7.0138668623,-1.7132167368,0.0446833157,0.0446833157,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Fe-Na-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Fe-Na-O, expected NaFeAsCO13 to be NaFeAsCO7" +mp-771144,Na3FeAsCO7,-6.6720612623,-1.9834303418,0.0,-0.0310949842,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Fe-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Fe-Na-O +mp-772415,Na2FeAsCO7,-6.9054313344,-1.9362916116,0.0,-0.0270047989,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Fe-Na-O,48.0,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Fe-Na-O +mp-780892,Na4Fe2As(CO4)4,-7.0924322107,-1.7979528275,0.0784662036,0.0784662036,GGA+U,Fddd,AB4C2D4E16_oF216_70_a_h_d_ef_4h:As-C-Fe-Na-O,54.0,"Invalid WP multiplicities - AB4C2D4E16_oF216_70_a_h_d_2e3f_21h:As-C-Fe-Na-O, expected Na10Fe2As(CO21)4 to be Na4Fe2As(CO4)4" +mp-772200,Na6Fe2As(CO4)4,-6.9376840478,-1.9171325327,0.0521286025,0.0521286025,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-C-Fe-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-C-Fe-Na-O, expected Na6Fe2As(CO27)4 to be Na6Fe2As(CO4)4" +mp-1520074,Ba2PrVO6,-7.7951888045,-3.0568994073,0.123068497,0.123068497,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-V,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-V +mp-1519938,Ba2PrVO6,-7.799168073,-3.0608786757,0.1190892285,0.1190892285,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-V,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-V +mp-1214859,Ba2PrV3O11,-8.3057250894,-2.994892756,0.0144202804,0.0144202804,GGA+U,P2_1/c,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Pr-V,68.0,A2B11CD3_mP68_14_2e_11e_e_3e:Ba-O-Pr-V +mp-1521162,BaSrPrVO6,-7.7699603515,-3.0546191029,0.1498180494,0.1498180494,GGA+U,P-1,AB6CDE_aP20_2_i_6i_ah_i_be:Ba-O-Pr-Sr-V,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_i_be:Ba-O-Pr-Sr-V, expected BaSrPrVO12 to be BaSrPrVO6" +mp-1520987,BaSrPrVO6,-7.7647583752,-3.0494171267,0.1550200257,0.1550200257,GGA+U,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-V,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-V +mp-1520991,BaSrPrVO6,-7.746359422,-3.0310181734,0.1734189789,0.1734189789,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-V,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-V +mp-1199087,CdSnP14,-5.0834713655,-0.0385528212,0.0,-0.0110953713,GGA,Pnma,AB14C_oP64_62_c_4c5d_c:Cd-P-Sn,64.0,AB14C_oP64_62_c_4c5d_c:Cd-P-Sn +mp-684826,CdFeSn(PO4)3,-7.3298955722,-2.3853036344,0.0,-0.0110904944,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Cd-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Cd-Fe-O-P-Sn, expected CdFeSn(PO18)3 to be CdFeSn(PO4)3" +mp-5213,CdSnP2,-4.0350281563,-0.0952614992,0.0,-0.0040386625,GGA,I-42d,AB2C_tI16_122_a_d_b:Cd-P-Sn,8.0,AB2C_tI16_122_a_d_b:Cd-P-Sn +mp-759862,SrCd2H16(Cl3O4)2,-4.6926544045,-1.4052720002,0.0622824748,0.0622824748,GGA,P-1,A2B6C16D8E_aP66_2_2i_6i_16i_8i_i:Cd-Cl-H-O-Sr,66.0,A2B6C16D8E_aP66_2_2i_6i_16i_8i_i:Cd-Cl-H-O-Sr +mp-1207079,SrH3Pd,-3.926642214,-0.5171315343,0.0,-0.0923300335,GGA,Pm-3m,A3BC_cP5_221_c_b_a:H-Pd-Sr,5.0,A3BC_cP5_221_c_b_a:H-Pd-Sr +mp-1179173,Sr2H4Pd,-3.7036195575,-0.5422234294,0.0602020963,0.0602020963,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:H-Pd-Sr,28.0,A4BC2_oP28_62_2cd_c_2c:H-Pd-Sr +mp-1221694,NaSr6H17Pd2O17,-5.6362240677,-1.8318217307,0.0151392066,0.0151392066,GGA,P2_1/c,A17BC17D2E6_mP172_14_17e_e_17e_2e_6e:H-Na-O-Pd-Sr,172.0,"Invalid WP multiplicities - A17BC17D2E6_mP172_14_65e_e_65e_8e_24e:H-Na-O-Pd-Sr, expected NaSr24H65Pd8O65 to be NaSr6H17Pd2O17" +mp-1520047,KPrDyNbO6,-8.20792042,-3.1799675351,0.1851512354,0.1851512354,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Dy-K-Nb-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Dy-K-Nb-O-Pr +mp-774592,Li6Co3Sb(PO4)6,-6.9613068437,-2.2586109454,0.1859977221,0.1859977221,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Co-Li-O-P-Sb,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Co-Li-O-P-Sb +mp-882474,LiCo3Sb(PO4)6,-3.3268430329,1.7749632986,3.9472885696,3.9472885696,GGA+U,P1,A3BC24D6E_aP35_1_3a_a_24a_6a_a:Co-Li-O-P-Sb,35.0,A3BC24D6E_aP35_1_3a_a_24a_6a_a:Co-Li-O-P-Sb +mp-766096,LiCo3Sb(PO4)6,-7.1656635514,-2.06385722,0.1084680511,0.1084680511,GGA+U,R3,A3BC24D6E_hR105_146_3a_a_8b_2b_a:Co-Li-O-P-Sb,35.0,"Invalid WP multiplicities - A3BC24D6E_hR105_146_3a_a_20b_2b_a:Co-Li-O-P-Sb, expected LiCo3Sb(PO10)6 to be LiCo3Sb(PO4)6" +mp-753690,Li4H3BrO3,-4.9256170432,-1.8158930372,0.0,-0.0179785086,GGA,P2_1/m,AB3C4D3_mP22_11_e_ef_2ef_ef:Br-H-Li-O,22.0,"Invalid WP multiplicities - AB3C4D3_mP22_11_e_e2f_3e2f_e2f:Br-H-Li-O, expected Li7H5BrO5 to be Li4H3BrO3" +mp-1097038,LiAl2H6BrO6,-5.8698690812,-2.0580196191,0.0,-0.0187651041,GGA,P6_3/mcm,A2BC6DE6_hP32_193_d_a_k_b_k:Al-Br-H-Li-O,32.0,A2BC6DE6_hP32_193_d_a_k_b_k:Al-Br-H-Li-O +mp-754153,LiH2BrO,-4.5604777445,-1.5216593449,0.0,-0.001285478,GGA,Cmcm,AB2CD_oC40_63_g_h_ac_f:Br-H-Li-O,20.0,AB2CD_oC40_63_g_h_ac_f:Br-H-Li-O +mp-695992,LiH2BrO5,-4.7016814367,-0.8149206763,0.1398038778,0.0869389344,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Li-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Li-O +mp-1180707,LiH2BrO5,-4.7413687369,-0.8546079766,0.1001165775,0.0472516341,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Li-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Li-O +mp-1201902,LiH2BrO5,-4.8414853144,-0.9547245541,0.0,-0.0528649434,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Li-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Li-O +mp-1239055,LiH2BrO5,-4.7108361669,-0.8240754066,0.1306491475,0.0777842041,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Li-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Li-O +mp-23985,LiH6BrO7,-4.975832842,-1.0794909456,0.006165395,0.006165395,GGA,P6_3mc,AB6CD7_hP30_186_b_d_a_b2c:Br-H-Li-O,30.0,"Invalid WP multiplicities - AB6CD7_hP30_186_b_d_a_b7c:Br-H-Li-O, expected LiH6BrO22 to be LiH6BrO7" +mp-770647,Li2SiSnCO7,-7.143531345,-2.3845128375,0.0839646875,0.0839646875,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-Si-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-Si-Sn, expected Li2SiSnCO13 to be Li2SiSnCO7" +mp-2223651,Ba2MgFeWO6,-7.5065816973,-2.3659895484,0.3221983173,0.3221983173,GGA+U,Cm,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Fe-Mg-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_8_2a_a_a_2a4b_a:Ba-Fe-Mg-O-W, expected Ba2MgFeWO10 to be Ba2MgFeWO6" +mp-2239868,Ba2MgFeWO6,-7.4538991864,-2.3133070375,0.3748808282,0.3748808282,GGA+U,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Fe-Mg-O-W,11.0,A2BCD6E_mC22_12_i_a_b_ij_c:Ba-Fe-Mg-O-W +mp-2223113,Ba2MgFeWO6,-7.2994399482,-2.1588477993,0.5293400664,0.5293400664,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Fe-Mg-O-W,11.0,A2BCD6E_aP11_1_2a_a_a_6a_a:Ba-Fe-Mg-O-W +mp-20915,Cs2NaMn(CN)6,-7.6111109,-0.2569666603,0.0734893366,0.0734893366,GGA,P2_1/c,A6B2CD6E_mP32_14_3e_e_a_3e_d:C-Cs-Mn-N-Na,32.0,A6B2CD6E_mP32_14_3e_e_a_3e_b:C-Cs-Mn-N-Na +mp-1197976,MnBePO5,-7.8983236603,-2.5173018828,0.0910053216,0.0910053216,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Be-Mn-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Be-Mn-O-P +mp-1095998,BeFe2P,-4.1850498925,2.3381395554,2.7637103992,2.7637103992,GGA,Immm,AB2C_oI8_71_a_e_b:Be-Fe-P,4.0,AB2C_oI8_71_a_e_b:Be-Fe-P +mp-1195414,MnBe2Fe2(P2O11)2,-6.7381088497,-1.4458106201,0.6407738043,0.6407738043,GGA+U,P3_1,A2B2CD22E4_hP93_144_2a_2a_a_22a_4a:Be-Fe-Mn-O-P,93.0,A2B2CD22E4_hP93_144_2a_2a_a_22a_4a:Be-Fe-Mn-O-P +mp-6097,Li3Al(BO3)2,-7.2249463817,-2.8490080284,0.0059965731,0.0059965731,GGA,P-1,AB2C3D6_aP24_2_i_2i_3i_6i:Al-B-Li-O,24.0,"Invalid WP multiplicities - AB2C3D6_aP24_2_i_2i_5i_6i:Al-B-Li-O, expected Li5Al(BO3)2 to be Li3Al(BO3)2" +mp-554344,Li3Al(BO3)2,-7.1410436117,-2.7651052584,0.0898993431,0.0898993431,GGA,P-1,AB2C3D6_aP24_2_i_2i_3i_6i:Al-B-Li-O,24.0,"Invalid WP multiplicities - AB2C3D6_aP24_2_i_2i_6i_9i:Al-B-Li-O, expected Li6AlB2O9 to be Li3Al(BO3)2" +mp-1192295,Li3Al(BO3)2,-7.2131964629,-2.8372581097,0.0177464919,0.0177464919,GGA,P-1,AB2C3D6_aP24_2_i_2i_3i_6i:Al-B-Li-O,24.0,AB2C3D6_aP24_2_i_2i_3i_6i:Al-B-Li-O +mp-1235374,SrLiAl2B2O7,-7.4779289185,-2.93368488,0.1770391086,0.1770391086,GGA,P1,A2B2CD7E_aP13_1_2a_2a_a_7a_a:Al-B-Li-O-Sr,13.0,A2B2CD7E_aP13_1_2a_2a_a_7a_a:Al-B-Li-O-Sr +mp-1235389,SrLiAl2B2O7,-7.4728020569,-2.9285580184,0.1821659701,0.1821659701,GGA,C2,A2B2CD7E_mC26_5_c_c_a_a3c_b:Al-B-Li-O-Sr,13.0,"Invalid WP multiplicities - A2B2CD7E_mC26_5_c_c_a_a6c_b:Al-B-Li-O-Sr, expected SrLiAl2B2O13 to be SrLiAl2B2O7" +mp-1235957,SrLiAl2B2O7,-7.36311508,-2.8188710415,0.2918529471,0.2918529471,GGA,R3,A2B2CD7E_hR39_146_2a_2a_a_a2b_a:Al-B-Li-O-Sr,13.0,A2B2CD7E_hR39_146_2a_2a_a_a2b_a:Al-B-Li-O-Sr +mp-557104,LiAlB2O5,-7.850283712199999,-2.9895364017,0.0,-0.0021071041,GGA,C2/c,AB2CD5_mC72_15_f_2f_2e_5f:Al-B-Li-O,36.0,"Invalid WP multiplicities - AB2CD5_mC72_15_f_3f_2e_16f:Al-B-Li-O, expected LiAlB3O16 to be LiAlB2O5" +mp-8204,LiAlB14,-6.3655428441,-0.167668876,0.0,-0.0975785598,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Li,32.0,"Invalid WP multiplicities - AB14C_oI64_74_a_5i4j_e:Al-B-Li, expected LiAlB26 to be LiAlB14" +mp-995282,LiAlB4,-5.4464245446,-0.0510802479,0.1332352229,0.1332352229,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Li,24.0,AB4C_oP24_55_g_4h_g:Al-B-Li +mp-557177,Li2Al(BO2)5,-7.9335035471,-2.9097664621,0.0003383487,0.0003383487,GGA,P2_1/c,AB5C2D10_mP72_14_e_5e_2e_10e:Al-B-Li-O,72.0,"Invalid WP multiplicities - AB5C2D10_mP72_14_e_18e_6e_38e:Al-B-Li-O, expected Li6Al(B9O19)2 to be Li2Al(BO2)5" +mp-556655,Li2AlBO4,-7.1668895806,-2.9131935582,0.0,-0.00212065,GGA,P2_1/c,ABC2D4_mP32_14_e_e_2e_4e:Al-B-Li-O,32.0,"Invalid WP multiplicities - ABC2D4_mP32_14_e_e_3e_14e:Al-B-Li-O, expected Li3AlBO14 to be Li2AlBO4" +mp-1182747,Ba2Zn(P3O14)2,-6.5118735978,-1.7528251534,0.3045272834,0.3045272834,GGA,C2/c,A2B28C6D_mC148_15_f_14f_3f_e:Ba-O-P-Zn,74.0,A2B28C6D_mC148_15_f_14f_3f_e:Ba-O-P-Zn +mp-1196636,Ba2Zn(P3O14)2,-6.4913391404,-1.7322906959000002,0.3250617408,0.3250617408,GGA,C2/c,A2B28C6D_mC148_15_f_14f_3f_e:Ba-O-P-Zn,74.0,A2B28C6D_mC148_15_f_14f_3f_e:Ba-O-P-Zn +mp-555980,Ba2Zn3(PO3)10,-7.3589901687,-2.6889708995,0.0,-0.0024052996,GGA,P2/c,A2B30C10D3_mP90_13_g_15g_5g_aef:Ba-O-P-Zn,90.0,"Invalid WP multiplicities - A2B30C10D3_mP90_13_g_59g_18g_2a2e2f:Ba-O-P-Zn, expected BaZn3P18O59 to be Ba2Zn3(PO3)10" +mp-1190416,Ba3Zn3Te(PO7)2,-6.6636771691,-2.6306463642,0.0,-0.0286942877,GGA,P321,A3B14C2DE3_hP23_150_e_d2g_d_a_f:Ba-O-P-Te-Zn,23.0,A3B14C2DE3_hP23_150_e_d2g_d_a_f:Ba-O-P-Te-Zn +mp-1195039,Ba2Zn2TeP2O11,-6.792749186,-2.6404756398,0.0,-0.0086347432,GGA,P2_1/c,A2B11C2DE2_mP72_14_2e_11e_2e_e_2e:Ba-O-P-Te-Zn,72.0,A2B11C2DE2_mP72_14_2e_11e_2e_e_2e:Ba-O-P-Te-Zn +mp-1147550,Ba2Zn3(PO)2,-4.5607687189,-1.412195036,0.1232994757,0.1232994757,GGA,I4/mmm,A2B2C2D3_tI18_139_e_c_e_ad:Ba-O-P-Zn,9.0,A2B2C2D3_tI18_139_e_c_e_ad:Ba-O-P-Zn +mp-6089,BaZn2(PO4)2,-6.9486648304,-2.730312764,0.0,-0.0412440621,GGA,P2_1/c,AB8C2D2_mP52_14_e_8e_2e_2e:Ba-O-P-Zn,52.0,"Invalid WP multiplicities - AB8C2D2_mP52_14_e_8e_2e_5e:Ba-O-P-Zn, expected BaZn5(PO4)2 to be BaZn2(PO4)2" +mp-14345,BaZnP2O7,-7.2601901918,-2.8390861425,0.0,-0.0056918956,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ba-O-P-Zn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Ba-O-P-Zn +mp-771032,Na2CuAsCO7,-6.32504759,-1.7201424122,0.0,-0.0049411736,GGA,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Cu-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-C-Cu-Na-O, expected Na2CuAsCO13 to be Na2CuAsCO7" +mp-772153,Na3CuAsCO7,-6.1951964238,-1.8427820064,0.0097802999999999,0.0097802999999999,GGA,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Cu-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-C-Cu-Na-O, expected Na4CuAsCO13 to be Na3CuAsCO7" +mp-770478,Na6Cu2As(CO4)4,-6.491725066,-1.7726090365,0.0633368592,0.0633368592,GGA,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-C-Cu-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-C-Cu-Na-O, expected Na6Cu2As(CO27)4 to be Na6Cu2As(CO4)4" +mp-1039724,RbMg30CrO32,-6.30633578,-2.9167104393,0.0714946245,0.0714946245,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Rb, expected RbMg110CrO72 to be RbMg30CrO32" +mp-1039661,RbMg30CrO32,-6.3110692113,-2.9214438706,0.0667611933,0.0667611933,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Rb, expected RbMg90CrO80 to be RbMg30CrO32" +mp-1033614,RbMg6CrO8,-6.1163064019,-2.3782581811,0.4124411762,0.4124411762,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Rb, expected RbMg6CrO12 to be RbMg6CrO8" +mp-1033645,RbMg6CrO8,-6.1306213756,-2.3925731548,0.3981262025,0.3981262025,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Rb, expected RbMg6CrO12 to be RbMg6CrO8" +mp-1210522,Rb2MgCr2O14,-5.8608081184,-1.0123299557,0.4392097296,0.4392097296,GGA+U,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:Cr-Mg-O-Rb,38.0,A2BC14D2_mP38_14_e_a_7e_e:Cr-Mg-O-Rb +mp-1233243,Rb4MgU4Cr4O24,-8.3796320578,-2.7574489408,0.0916716192,0.0916716192,GGA+U,P1,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U,37.0,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U +mp-1233406,Rb4MgU4Cr4O24,-8.4088210665,-2.7866379495,0.0624826105,0.0624826105,GGA+U,P1,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U,37.0,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U +mp-1233774,Rb4MgU4Cr4O24,-8.4057660246,-2.7835829076,0.0655376524,0.0655376524,GGA+U,P1,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U,37.0,A4BC24D4E4_aP37_1_4a_a_24a_4a_4a:Cr-Mg-O-Rb-U +mp-1204838,Rb2UCr2O10,-7.8551986477,-2.3868346338,0.0,-0.0044856565,GGA+U,P-1,A2B10C2D_aP60_2_4i_20i_4i_2i:Cr-O-Rb-U,60.0,A2B10C2D_aP60_2_4i_20i_4i_2i:Cr-O-Rb-U +mp-1198086,MgU2Cr2O16,-7.7257079605,-1.8858882276,0.4134399253,0.4134399253,GGA+U,Pnma,A2BC16D2_oP84_62_d_c_4c6d_d:Cr-Mg-O-U,84.0,A2BC16D2_oP84_62_d_c_4c6d_d:Cr-Mg-O-U +mp-1034246,RbMg14CrO16,-6.2521865344,-2.7464202337,0.1759495947,0.1759495947,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Rb, expected RbMg18CrO20 to be RbMg14CrO16" +mp-1034199,RbMg14CrO16,-6.2484451281,-2.7426788274,0.1796910009,0.1796910009,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Rb, expected RbMg30CrO32 to be RbMg14CrO16" +mp-2219751,RbMgCr3O8,-7.4725935215,-2.002326889,0.2531035664,0.2531035664,GGA+U,Cm,A3BC8D_mC26_8_3a_a_4a2b_a:Cr-Mg-O-Rb,13.0,"Invalid WP multiplicities - A3BC8D_mC26_8_3a_a_4a3b_a:Cr-Mg-O-Rb, expected RbMgCr3O10 to be RbMgCr3O8" +mp-2228061,RbMgCr3O8,-7.4541233708,-1.9838567383,0.2715737172,0.2715737172,GGA+U,Cm,A3BC8D_mC26_8_3a_a_4a2b_a:Cr-Mg-O-Rb,13.0,"Invalid WP multiplicities - A3BC8D_mC26_8_3a_a_4a3b_a:Cr-Mg-O-Rb, expected RbMgCr3O10 to be RbMgCr3O8" +mp-17642,RbUCrO6,-8.5078533311,-2.7739506844,0.0,-0.0190631366,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Cr-O-Rb-U,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_9e_e_e:Cr-O-Rb-U, expected RbUCrO9 to be RbUCrO6" +mp-1223082,La4Cu4SeS3O4,-6.8313612756,-2.3418068367,0.0035709372,0.0035709372,GGA,P4mm,A4B4C4D3E_tP16_99_d_abc_d_ac_b:Cu-La-O-S-Se,16.0,A4B4C4D3E_tP16_99_d_abc_d_ac_b:Cu-La-O-S-Se +mp-1211335,La2CuSe2O,-5.2265880517,-0.9082992939,1.5140992612000002,1.5140992612000002,GGA,P4/mmm,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-Se,6.0,AB2CD2_tP6_123_a_g_b_g:Cu-La-O-Se +mp-1207265,LaCu2SeO2,-5.2712986333,-0.8506804091,1.067284327,1.067284327,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:Cu-La-O-Se,6.0,A2BC2D_tP6_123_g_a_g_b:Cu-La-O-Se +mp-552488,LaCuSeO,-6.6839143437,-2.3144608528,0.0,-0.0253090911,GGA,P4/nmm,ABCD_tP8_129_a_c_b_c:Cu-La-O-Se,8.0,ABCD_tP8_129_a_c_b_c:Cu-La-O-Se +mp-1204052,Se2S2O7,-5.7792569759,-1.243662097,0.0617701218,0.0617701218,GGA,P2_1/c,A7B2C2_mP44_14_7e_2e_2e:O-S-Se,44.0,A7B2C2_mP44_14_7e_2e_2e:O-S-Se +mp-18267,La2Cu(SeO3)4,-6.6409498492,-2.0454166215,0.0,-0.0301734524,GGA,P2_1/c,AB2C12D4_mP38_14_a_e_6e_2e:Cu-La-O-Se,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_14_a_e_7e_3e:Cu-La-O-Se, expected La2Cu(Se3O7)2 to be La2Cu(SeO3)4" +mp-1223243,La2Cu2SeSO2,-6.7831993675,-2.3336785779,0.0013935556,0.0013935556,GGA,P4mm,A2B2C2DE_tP8_99_c_ab_c_a_b:Cu-La-O-S-Se,8.0,A2B2C2DE_tP8_99_c_ab_c_a_b:Cu-La-O-S-Se +mp-1223088,La4Cu4Se3SO4,-6.7316042256,-2.3221170853,0.0026494078,0.0026494078,GGA,P4mm,A4B4C4DE3_tP16_99_d_abc_d_a_bc:Cu-La-O-S-Se,16.0,A4B4C4DE3_tP16_99_d_abc_d_a_bc:Cu-La-O-S-Se +mp-1147534,La4Cu3SeO12,-7.1482285275,-2.4033373054,0.1109586791,0.1109586791,GGA,Im-3m,A3B4C12D_cI40_229_b_c_de_a:Cu-La-O-Se,20.0,"Invalid WP multiplicities - A3B4C12D_cI40_229_b_c_2de_a:Cu-La-O-Se, expected La4Cu3SeO18 to be La4Cu3SeO12" +mp-1221960,MnFe2Pb2(OF4)3,-5.5937756945,-2.0285174147,0.2962022315,0.2962022315,GGA+U,Amm2,A12B2CD3E2_oC40_38_abd4e_e_b_ad_d:F-Fe-Mn-O-Pb,20.0,"Invalid WP multiplicities - A12B2CD3E2_oC40_38_abd7e_e_b_ad_d:F-Fe-Mn-O-Pb, expected MnFe2Pb2(OF6)3 to be MnFe2Pb2(OF4)3" +mp-1201249,MnFe2Pb8F24,-5.6038286839,-2.6987221269,0.0032604853,0.0032604853,GGA+U,P2_1/c,A24B2CD8_mP70_14_12e_e_a_4e:F-Fe-Mn-Pb,70.0,A24B2CD8_mP70_14_12e_e_a_4e:F-Fe-Mn-Pb +mp-1210475,Na2CoSiO4,-6.6953435881,-2.324663431,0.0215011772,0.0215011772,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:Co-Na-O-Si,32.0,AB2C4D_oP16_31_a_b_2ab_a:Co-Na-O-Si +mp-18096,Na2Co(Si2O5)2,-7.6055339315,-2.8454440718000003,0.0,-0.0026971105,GGA+U,P-1,AB2C10D4_aP34_2_i_2i_10i_4i:Co-Na-O-Si,34.0,"Invalid WP multiplicities - AB2C10D4_aP34_2_i_3i_10i_5i:Co-Na-O-Si, expected Na3Co(SiO2)5 to be Na2Co(Si2O5)2" +mp-1651352,Na3CoSiBO7,-6.6810822758,-2.2343573177,0.0895173716,0.0895173716,GGA+U,P-1,ABC3D7E_aP52_2_2i_2i_6i_14i_2i:B-Co-Na-O-Si,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-Si +mp-756360,Na3CoSiBO7,-6.7103923327,-2.2636673746,0.0602073146,0.0602073146,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Co-Na-O-Si, expected Na4CoSiBO13 to be Na3CoSiBO7" +mp-767774,Mn2Fe3Cu(PO4)6,-7.7678969383,-2.2391845774,0.0665264816,0.0665264816,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cu-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cu-Fe-Mn-O-P, expected Mn2Fe3Cu(PO11)6 to be Mn2Fe3Cu(PO4)6" +mp-1211430,La6Mg23Si,-2.5446170247,-0.1496902977,0.0,-0.0032393633,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:La-Mg-Si,30.0,A6B23C_cF120_225_e_ad2f_b:La-Mg-Si +mp-1017459,LaMg6C,-2.6044532988,0.3663408134,0.4406233164,0.4406233164,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-La-Mg +mp-1017461,LaMg6C,-2.5008191906,0.4699749216,0.5442574245,0.5442574245,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-La-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:C-La-Mg, expected LaMg12C to be LaMg6C" +mp-1192607,La6Mg23C,-2.6313900673,-0.1096850916,0.0,-8.52255e-05,GGA,Fm-3m,AB6C23_cF120_225_a_e_bd2f:C-La-Mg,30.0,AB6C23_cF120_225_a_e_bd2f:C-La-Mg +mp-1017497,LaMg6Si,-2.53090098,-0.0355253006,0.1750186492,0.1750186492,GGA,Amm2,AB6C_oC16_38_a_2bde_a:La-Mg-Si,8.0,AB6C_oC16_38_a_2bde_a:La-Mg-Si +mp-1021256,LaMg6Si,-2.5147753875000003,-0.0193997081,0.1911442417,0.1911442417,GGA,Amm2,AB6C_oC16_38_a_abde_b:La-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:La-Mg-Si, expected LaMg12Si to be LaMg6Si" +mp-1026792,LaMg14Si,-2.0500329544,-0.0022050897,0.1115913487,0.1115913487,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:La-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:La-Mg-Si, expected LaMg18Si to be LaMg14Si" +mp-1026783,LaMg14Si,-1.9987017356,0.0491261291,0.1629225675,0.1629225675,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:La-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:La-Mg-Si, expected LaMg26Si to be LaMg14Si" +mp-1026807,LaMg14C,-2.0957977437,0.1897393373,0.229482145,0.229482145,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-La-Mg, expected LaMg18C to be LaMg14C" +mp-1026746,LaMg14C,-1.9829652312,0.3025718498,0.3423146575,0.3423146575,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-La-Mg, expected LaMg26C to be LaMg14C" +mp-1212027,La4MgSi4(C2O11)2,-8.1739249309,-2.7799993821,0.2650633541,0.2650633541,GGA,P2_1/c,A4B4CD22E4_mP70_14_2e_2e_a_11e_2e:C-La-Mg-O-Si,70.0,A4B4CD22E4_mP70_14_2e_2e_a_11e_2e:C-La-Mg-O-Si +mp-1206521,La(MgSi)2,-4.257228108,-0.459787455,0.0,-0.0265038738,GGA,P4/mmm,AB2C2_tP5_123_a_e_h:La-Mg-Si,5.0,AB2C2_tP5_123_a_e_h:La-Mg-Si +mp-1212647,La2MgSi4,-4.7755599232,-0.0364790118,0.5345235539000001,0.5345235539000001,GGA,I4_1/amd,A2BC4_tI56_141_h_c_2h:La-Mg-Si,28.0,A2BC4_tI56_141_h_c_2h:La-Mg-Si +mp-568173,LaMgSi2,-4.8831773012,-0.5364464975000001,0.0,-0.0176753419,GGA,I4_1/amd,ABC2_tI32_141_e_e_2e:La-Mg-Si,16.0,"Invalid WP multiplicities - ABC2_tI32_141_e_e_4e:La-Mg-Si, expected LaMgSi4 to be LaMgSi2" +mp-1205762,La2MgSi2,-5.100819064,-0.6362329999999999,0.0,-0.0603330942,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:La-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:La-Mg-Si +mp-2230429,MgV4CoNiO12,-7.9617414426,-2.1625507405,0.111617183,0.111617183,GGA+U,C2,ABCD12E4_mC38_5_a_a_b_6c_2c:Co-Mg-Ni-O-V,19.0,"Invalid WP multiplicities - ABCD12E4_mC38_5_a_a_b_12c_4c:Co-Mg-Ni-O-V, expected MgV8CoNiO24 to be MgV4CoNiO12" +mp-774909,Li4Nb2V3Sn3O16,-7.6209346893,-2.3971577357,0.0923475472,0.0923475472,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Nb-O-Sn-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Nb-O-Sn-V, expected Li4Nb2V3Sn3O20 to be Li4Nb2V3Sn3O16" +mp-757062,Li4Nb3V3(SnO8)2,-7.9393249868,-2.4979861337,0.0977207849,0.0977207849,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Nb-O-Sn-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Nb-O-Sn-V, expected Li4Nb3V3(SnO10)2 to be Li4Nb3V3(SnO8)2" +mp-710062,Pr4Se3(O5F3)2,-6.8970401717000005,-2.9602089382,0.0212151598,-0.0313859653,GGA,P1,A6B10C4D3_aP46_1_12a_20a_8a_6a:F-O-Pr-Se,46.0,"Invalid WP multiplicities - A6B10C4D3_mC92_15_9f_17f_6f_2e2f:F-O-Pr-Se, expected Pr6Se3O17F9 to be Pr4Se3(O5F3)2" +mp-560263,Pr4Se3(O5F3)2,-6.9182553315,-2.981424098,0.0,-0.0526011251,GGA,C2/c,A6B10C4D3_mC92_15_3f_5f_2f_ef:F-O-Pr-Se,46.0,"Invalid WP multiplicities - A6B10C4D3_mC92_15_9f_17f_6f_2e2f:F-O-Pr-Se, expected Pr6Se3O17F9 to be Pr4Se3(O5F3)2" +mp-14836,Pr4Si2Se3O7,-7.8677583014,-3.1747073957,0.0,-0.0154992852,GGA,I4_1/amd,A7B4C3D2_tI128_141_ehi_gh_abf_h:O-Pr-Se-Si,64.0,A7B4C3D2_tI128_141_ehi_gh_abf_h:O-Pr-Se-Si +mp-1194712,Pr5Si2Se3O17F,-7.7069464105,-3.019514756,0.0,-0.0136087746,GGA,P-1,AB17C5D3E2_aP56_2_i_17i_5i_3i_2i:F-O-Pr-Se-Si,56.0,AB17C5D3E2_aP56_2_i_17i_5i_3i_2i:F-O-Pr-Se-Si +mp-1206897,Pr2Se2F,-4.503871008,-0.8108483214000001,1.9195012507,1.9195012507,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Pr-Se,5.0,AB2C2_tP5_123_a_g_g:F-Pr-Se +mp-1195142,Cs2ErSi6O14F,-7.8902175686,-3.3037362078,0.003239719,0.003239719,GGA,Cmce,A2BCD14E6_oC384_64_2fg_g_ef_2de3f11g_6g:Cs-Er-F-O-Si,192.0,A2BCD14E6_oC384_64_2fg_g_ef_2de3f11g_6g:Cs-Er-F-O-Si +mp-1196674,Cs2ErSi4O10F,-7.7331884146,-3.319957206,0.0,-0.0320054459,GGA,Pnma,A2BCD10E4_oP144_62_4c_d_2c_4c8d_4d:Cs-Er-F-O-Si,144.0,A2BCD10E4_oP144_62_4c_d_2c_4c8d_4d:Cs-Er-F-O-Si +mp-1046445,SrMgFe(PO4)2,-7.6686996904,-2.8871681968000003,0.011808288,0.011808288,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Fe-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Fe-Mg-O-P-Sr, expected SrMgFe(PO7)2 to be SrMgFe(PO4)2" +mp-1369438,SrMgFe(PO4)2,-4.3720861231,0.4094453705,3.3084218553,3.3084218553,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Fe-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Fe-Mg-O-P-Sr, expected SrMgFe(PO7)2 to be SrMgFe(PO4)2" +mp-1208788,Sr3TiSi4H2O13,-7.4854475709,-2.8872888825,0.2413735,0.2413735,GGA,P2_1/m,A2B13C4D3E_mP46_11_2e_3e5f_2f_3e_a:H-O-Si-Sr-Ti,46.0,A2B13C4D3E_mP46_11_2e_3e5f_2f_3e_a:H-O-Si-Sr-Ti +mp-1101312,TiCr2Fe3(PO4)6,-8.1683413994,-2.5068971023,0.0636308345,0.0636308345,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cr-Fe-O-P-Ti, expected TiCr2Fe3(PO11)6 to be TiCr2Fe3(PO4)6" +mp-774450,Ti3CrFe2(PO4)6,-8.3836709678,-2.7870067997,0.011974771,0.011974771,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_3b_3a:Cr-Fe-O-P-Ti, expected Ti3CrFe2(P3O22)3 to be Ti3CrFe2(PO4)6" +mp-1101304,Ti2CrFe3(PO4)6,-8.1771602781,-2.5645369657,0.1101618307,0.1101618307,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_2b_2a:Cr-Fe-O-P-Ti, expected Ti2CrFe3(PO11)6 to be Ti2CrFe3(PO4)6" +mp-776069,Ti3Cr2Fe(PO4)6,-8.4028403247,-2.7733143161,0.0457791692,0.0457791692,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_2b_3a:Cr-Fe-O-P-Ti, expected Ti3Cr2Fe(PO11)6 to be Ti3Cr2Fe(PO4)6" +mp-1096073,Sr2ZnGe,-1.10184877,1.2135908229,1.6670033192,1.6670033192,GGA,Immm,AB2C_oI8_71_a_e_b:Ge-Sr-Zn,4.0,AB2C_oI8_71_a_e_b:Ge-Sr-Zn +mp-1020704,Sr2Ge(S2O7)4,-6.6335347076,-2.0283834868,0.0,-0.0713291142,GGA,P2_1/c,AB28C8D2_mP78_14_a_14e_4e_e:Ge-O-S-Sr,78.0,AB28C8D2_mP78_14_a_14e_4e_e:Ge-O-S-Sr +mp-1217763,SrZnGe,-3.03192689,-0.5078385839,0.0,-0.055251412,GGA,P-6m2,ABC_hP3_187_a_d_e:Ge-Sr-Zn,3.0,ABC_hP3_187_a_d_e:Ge-Sr-Zn +mp-1208502,Sr2ZnGe2S6O,-5.2056806142,-1.5681661026,0.0,-0.0517759884,GGA,P-42_1m,A2BC6D2E_tP24_113_e_c_ef_e_a:Ge-O-S-Sr-Zn,24.0,A2BC6D2E_tP24_113_e_c_ef_e_a:Ge-O-S-Sr-Zn +mp-7363,Sr(ZnGe)2,-3.061816222,-0.3708089453,0.0,-0.0467017006,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:Ge-Sr-Zn,5.0,A2BC2_tI10_139_e_a_d:Ge-Sr-Zn +mp-17392,Sr2ZnGe2O7,-6.6449914696,-2.6023575358,0.0,-0.0167136268,GGA,P-42_1m,A2B7C2D_tP24_113_e_cef_e_a:Ge-O-Sr-Zn,24.0,"Invalid WP multiplicities - A2B7C2D_tP24_113_e_c2ef_e_a:Ge-O-Sr-Zn, expected Sr2ZnGe2O9 to be Sr2ZnGe2O7" +mp-1202582,MoRhN5ClO4,-6.1980798921,0.5958971171,1.520029224,1.520029224,GGA+U,Pnma,ABC5D4E_oP48_62_c_c_c2d_2cd_c:Cl-Mo-N-O-Rh,48.0,ABC5D4E_oP48_62_c_c_c2d_2cd_c:Cl-Mo-N-O-Rh +mp-1206701,Sr2YbUO6,-8.105775772,-3.5167620256000003,0.102180959,0.102180959,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-U-Yb,,A6B2CD_cF40_225_e_c_a_b:O-Sr-U-Yb +mp-1235911,Sr2LiYbUO6,-7.5061624836,-3.1607933627,0.2164128266,0.2164128266,GGA,Immm,AB6C2DE_oI22_71_c_el_f_a_b:Li-O-Sr-U-Yb,,AB6C2DE_oI22_71_c_el_f_a_b:Li-O-Sr-U-Yb +mp-1235232,Sr2LiYbUO6,-7.4756109791,-3.1302418581,0.2469643311,0.2469643311,GGA,R3m,AB6C2DE_hR33_160_a_2b_2a_a_a:Li-O-Sr-U-Yb,,"Invalid WP multiplicities - AB6C2DE_hR33_160_a_5b_2a_a_a:Li-O-Sr-U-Yb, expected Sr2LiYbUO15 to be Sr2LiYbUO6" +mp-1235544,SrLiU2O6,-8.858018147,-3.2718812863,0.2115372794,0.2115372794,GGA,Imm2,AB6CD2_oI20_44_b_3c_a_2a:Li-O-Sr-U,10.0,"Invalid WP multiplicities - AB6CD2_oI20_44_b_5c_a_2a:Li-O-Sr-U, expected SrLiU2O10 to be SrLiU2O6" +mp-1235318,SrLiU2O6,-8.862946242,-3.2768093812,0.2066091844,0.2066091844,GGA,Immm,AB6CD2_oI20_71_b_fn_a_g:Li-O-Sr-U,10.0,"Invalid WP multiplicities - AB6CD2_oI20_71_b_2f2n_a_g:Li-O-Sr-U, expected SrLiU2O12 to be SrLiU2O6" +mp-1184491,GdThO3,-10.404723892,-3.1387145672,0.7811935103000001,0.7811935103000001,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Gd-O-Th,5.0,AB3C_cP5_221_a_c_b:Gd-O-Th +mp-1227211,CaTh(PO4)2,-8.4061979496,-3.4212335468,0.0,-0.0202718305,GGA,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ca-O-P-Th,24.0,"Invalid WP multiplicities - AB8C2D_aP24_2_i_16i_4i_i:Ca-O-P-Th, expected CaTh(PO4)4 to be CaTh(PO4)2" +mp-695308,CaGdTh(PO4)3,-8.9240794435,-3.4187598643,0.0148499665,0.0148499665,GGA,P1,ABC12D3E_aP72_1_4a_4a_48a_12a_4a:Ca-Gd-O-P-Th,72.0,ABC12D3E_aP72_1_4a_4a_48a_12a_4a:Ca-Gd-O-P-Th +mp-1218945,Sr20P12Br3ClO48,-7.3874953085,-3.307755083,0.0003406047,0.0003406047,GGA,P-1,A3BC48D12E20_aP84_2_bi_c_24i_6i_10i:Br-Cl-O-P-Sr,84.0,"Invalid WP multiplicities - A3BC48D12E20_aP84_2_bi_c_48i_12i_20i:Br-Cl-O-P-Sr, expected Sr40P24Br3ClO96 to be Sr20P12Br3ClO48" +mp-1195664,Sr2P7Br,-5.0706302002,-0.7881169219,0.0,-0.0075920925,GGA,P2_13,AB7C2_cP40_198_a_a2b_2a:Br-P-Sr,40.0,AB7C2_cP40_198_a_a2b_2a:Br-P-Sr +mp-1218891,Sr10P6BrClO24,-7.3977055031,-3.3144473213,0.0017033927,0.0017033927,GGA,P-3,ABC24D6E10_hP42_147_a_b_4g_g_2dg:Br-Cl-O-P-Sr,42.0,"Invalid WP multiplicities - ABC24D6E10_hP42_147_a_b_6g_g_4dg:Br-Cl-O-P-Sr, expected Sr14P6BrClO36 to be Sr10P6BrClO24" +mp-1218923,Sr20P12Br(ClO16)3,-7.4102923245,-3.3235161865,0.000689554,0.000689554,GGA,P-3,AB3C48D12E20_hP84_147_a_bc_8g_2g_4d2g:Br-Cl-O-P-Sr,84.0,"Invalid WP multiplicities - AB3C48D12E20_hP84_147_a_bc_48g_12g_8d12g:Br-Cl-O-P-Sr, expected Sr88P72Br(ClO96)3 to be Sr20P12Br(ClO16)3" +mp-23141,Sr5P3BrO12,-7.3762629305,-3.3000406613,0.0,-0.0333075854,GGA,P6_3/m,AB12C3D5_hP42_176_b_2hi_h_fh:Br-O-P-Sr,42.0,AB12C3D5_hP42_176_b_2hi_h_fh:Br-O-P-Sr +mp-9264,NaTeAu,-3.2522713933,-0.6723669977000001,0.0,-0.0447530043,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Au-Na-Te,6.0,ABC_hP6_194_c_a_d:Au-Na-Te +mp-1212047,Na5Te2AuO28,-4.7179054083,-0.4212275148,0.4084080494,0.4084080494,GGA,P-1,AB5C28D2_aP36_2_b_d2i_14i_i:Au-Na-O-Te,36.0,AB5C28D2_aP36_2_b_d2i_14i_i:Au-Na-O-Te +mp-734937,Na5Te2H36AuO28,-2.5625818689,1.2821201004,2.6584783978,2.6584783978,GGA,P-1,AB36C5D28E2_aP72_2_a_18i_c2i_14i_i:Au-H-Na-O-Te,72.0,AB36C5D28E2_aP72_2_a_18i_c2i_14i_i:Au-H-Na-O-Te +mp-723082,Na5Te2H36AuO28,-5.2097055646,-1.3650035953,0.0113547021,0.0113547021,GGA,P-1,AB36C5D28E2_aP72_2_a_18i_b2i_14i_i:Au-H-Na-O-Te,72.0,AB36C5D28E2_aP72_2_a_18i_b2i_14i_i:Au-H-Na-O-Te +mp-1522104,KLaZrNbO6,-8.678422103,-3.240867704,0.1078912187,0.1078912187,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Zr +mp-1517312,KLaZrSnO6,-7.789916027,-2.9615349465,0.1205989059,0.1205989059,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sn-Zr +mp-12355,Sr2YTaO6,-8.7318293805,-3.5934925888,0.0,-0.0297562783,GGA,P2_1/c,A6B2CD_mP20_14_3e_e_a_d:O-Sr-Ta-Y,20.0,A6B2CD_mP20_14_3e_e_a_b:O-Sr-Ta-Y +mp-1080719,Sr2YTaO6,-8.714557884,-3.5762210923,0.0172714965,-0.0124847818,GGA,I4/m,A6B2CD_tI20_87_eh_d_a_b:O-Sr-Ta-Y,10.0,A6B2CD_tI20_87_eh_d_a_b:O-Sr-Ta-Y +mp-1046305,Sr2YTaCu2O7,-7.5842296692,-2.6205012101,0.2925537512,0.2925537512,GGA,Cm,A2B7C2DE_mC52_8_2b_2a6b_2b_2a_b:Cu-O-Sr-Ta-Y,26.0,"Invalid WP multiplicities - A2B7C2DE_mC52_8_2b_2a9b_3b_2a_b:Cu-O-Sr-Ta-Y, expected Sr3YTa(CuO5)2 to be Sr2YTaCu2O7" +mp-1209571,Rb2MnFe(CN)6,-8.0712718613,-0.2597676642,0.0721276929,0.0721276929,GGA,Fm-3m,A6BCD6E2_cF64_225_e_a_b_e_c:C-Fe-Mn-N-Rb,16.0,A6BCD6E2_cF64_225_e_a_b_e_c:C-Fe-Mn-N-Rb +mp-1247531,RbMnN,-6.3124551017,-0.1527736718,0.1832573715,0.1832573715,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-N-Rb,12.0,ABC_oP12_62_c_c_c:Mn-N-Rb +mp-1029835,RbMnN2,-7.1571073152,-0.4532225115,0.0,-0.0767042935,GGA,Fd-3m,AB2C_cF32_227_a_c_b:Mn-N-Rb,64.0,AB2C_cF32_227_a_c_b:Mn-N-Rb +mp-16995,Sm3Si6N11,-8.4246582585,-1.5042027205,0.0,-0.097375678,GGA,P4bm,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Sm,40.0,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Sm +mp-693655,Ba4Sm7Si12BN27,-8.0631593094,-1.444050019,0.0071716757,0.0071716757,GGA,P-6,AB4C27D12E7_hP51_174_b_cj_2j3k2l_2j2k_a2k:B-Ba-N-Si-Sm,51.0,"Invalid WP multiplicities - AB4C27D12E7_hP51_174_b_c2j_5j8k6l_5j6k_a4k:B-Ba-N-Si-Sm, expected Ba7Sm13Si33BN75 to be Ba4Sm7Si12BN27" +mp-1192040,SmBN2,-8.5824835354,-1.5647415965,0.0,-0.0055314567,GGA,R-3c,AB2C_hR72_167_e_2e_e:B-N-Sm,24.0,AB2C_hR72_167_e_2e_e:B-N-Sm +mp-1518265,PrEuMnWO6,-9.28582538,-2.6020068455,0.2041248473,0.2041248473,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mn-O-Pr-W +mp-1019611,Cs2Na2Sr(B3O5)6,-8.0584006167,-2.8743428432,0.0,-0.0121258844,GGA,P2_1/c,A18B2C2D30E_mP106_14_9e_e_e_15e_a:B-Cs-Na-O-Sr,106.0,A18B2C2D30E_mP106_14_9e_e_e_15e_a:B-Cs-Na-O-Sr +mp-1842679,Ba2Tl2Zn3(WO3)4,-6.6904055113,-1.3193075783,0.7052664963,0.7052664963,GGA+U,I4/mmm,A2B12C2D4E3_tI46_139_e_2e2g_e_2e_ae:Ba-O-Tl-W-Zn,23.0,"Invalid WP multiplicities - A2B12C2D4E3_tI46_139_e_4e6g_e_3e_ae:Ba-O-Tl-W-Zn, expected Ba2Tl2Zn3(W3O16)2 to be Ba2Tl2Zn3(WO3)4" +mp-1211195,LiBi(WO4)2,-8.0877446267,-2.1511461144,0.003933002,0.003933002,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Bi-Li-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Bi-Li-O-W +mp-1229016,Ba10Zn4Cu(WO6)5,-7.4384444642,-2.6080596043,0.0132766013,0.0132766013,GGA+U,C2/m,A10BC30D5E4_mC100_12_5i_a_5i5j_c2i_2i:Ba-Cu-O-W-Zn,50.0,"Invalid WP multiplicities - A10BC30D5E4_mC100_12_10i_a_10i20j_c3i_3i:Ba-Cu-O-W-Zn, expected Ba20Zn6CuW7O100 to be Ba10Zn4Cu(WO6)5" +mp-1102645,ZrCrP,-8.7706589017,-0.8993086994,0.0167603025,0.0167603025,GGA,Pnma,ABC_oP12_62_c_c_c:Cr-P-Zr,12.0,ABC_oP12_62_c_c_c:Cr-P-Zr +mp-18686,ZrCr5P3,-8.7043465533,-0.58736372,0.0042580989,0.0042580989,GGA,P2_1/m,A5B3C_mP18_11_5e_3e_e:Cr-P-Zr,18.0,"Invalid WP multiplicities - A5B3C_mP18_11_7e_3e_e:Cr-P-Zr, expected ZrCr7P3 to be ZrCr5P3" +mp-15746,Zr2Cr30P19,-8.5167110535,-0.4865233479,0.0161913435,0.0161913435,GGA,P-6,A30B19C2_hP51_174_5j5k_a3j3k_cf:Cr-P-Zr,51.0,"Invalid WP multiplicities - A30B19C2_hP51_174_7j7k_a3j4k_cf:Cr-P-Zr, expected ZrCr21P11 to be Zr2Cr30P19" +mp-726391,ZrCrCu2(PO4)3,-7.8803750229,-2.5119890495,0.2751893259,0.2751893259,GGA+U,P1,AB2C12D3E_aP38_1_2a_4a_24a_6a_2a:Cr-Cu-O-P-Zr,38.0,AB2C12D3E_aP38_1_2a_4a_24a_6a_2a:Cr-Cu-O-P-Zr +mp-1191862,Ca2(ZnSn2)3,-3.1395840677,-0.2443239114,0.0618887836,0.0618887836,GGA,Cmcm,A2B6C3_oC44_63_2c_2ch_ce:Ca-Sn-Zn,22.0,A2B6C3_oC44_63_2c_2ch_ce:Ca-Sn-Zn +mp-1096026,Ca2ZnSn,-1.128541055,1.1915877513,1.7201598904000002,1.7201598904000002,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Sn-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Sn-Zn +mp-1183468,Ca2ZnSn,-2.8355118925,-0.5153830862000001,0.0131890529,0.0131890529,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Sn-Zn,4.0,A2BC_cF16_225_c_a_b:Ca-Sn-Zn +mp-1517738,CaZnSnWO6,-7.125318712,-2.1340009277,0.1897105844,0.1897105844,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-W-Zn +mp-31160,CaZnSn,-2.9417774750000003,-0.5168056933,0.0,-0.0590064223,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ca-Sn-Zn,6.0,ABC_hP6_186_a_b_b:Ca-Sn-Zn +mp-1072802,CaZnSn,-2.90724111,-0.4822693283,0.034536365,-0.0244700573,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Ca-Sn-Zn,6.0,ABC_hP6_194_a_c_d:Ca-Sn-Zn +mp-1233584,CaZn4(SnO2)4,-5.1966423559,-1.5109734482,0.3122734597,0.3122734597,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Ca-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Ca-O-Sn-Zn +mp-1522241,KNdTiSnO6,-7.598355491,-2.8519812391,0.1629494588,0.1629494588,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sn-Ti,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sn-Ti +mp-1105287,Ti4Pb2O9F2,-8.2637677988,-3.1255078845,0.0067696044,0.0067696044,GGA,C2/m,A2B9C2D4_mC34_12_i_a4i_i_2i:F-O-Pb-Ti,17.0,A2B9C2D4_mC34_12_i_a4i_i_2i:F-O-Pb-Ti +mp-1208830,Ti3Pb5F19,-6.0047318181,-3.0948128632,0.0271135481,0.0271135481,GGA,I4cm,A19B5C3_tI108_108_a3c3d_bd_ac:F-Pb-Ti,54.0,A19B5C3_tI108_108_a3c3d_bd_ac:F-Pb-Ti +mp-2217258,MgTi2(OF2)2,-7.06445502,-3.1832819782,0.4047679419,0.4047679419,GGA,P-4m2,A4BC2D2_tP9_115_adg_b_g_e:F-Mg-O-Ti,9.0,A4BC2D2_tP9_115_adg_b_g_e:F-Mg-O-Ti +mp-2233030,MgTi4Pb2O9F2,-7.9302608611,-2.9885553837,0.1608742881,0.1608742881,GGA,Cm,A2BC9D2E4_mC36_8_2a_a_9a_2a_4a:F-Mg-O-Pb-Ti,18.0,A2BC9D2E4_mC36_8_2a_a_9a_2a_4a:F-Mg-O-Pb-Ti +mp-2232833,MgTi4Pb2O9F2,-7.9094071278,-2.9677016504,0.1817280214,0.1817280214,GGA,Cm,A2BC9D2E4_mC36_8_2a_a_9a_2a_4a:F-Mg-O-Pb-Ti,18.0,A2BC9D2E4_mC36_8_2a_a_9a_2a_4a:F-Mg-O-Pb-Ti +mp-2228394,MgTi4Pb2O9F2,-7.9050164567,-2.9633109793,0.1861186925,0.1861186925,GGA,C2/m,A2BC9D2E4_mC36_12_i_a_b4i_i_2i:F-Mg-O-Pb-Ti,18.0,A2BC9D2E4_mC36_12_i_a_b4i_i_2i:F-Mg-O-Pb-Ti +mp-2232781,MgTi4Pb2O9F2,-7.8672675228,-2.9255620454,0.2238676264,0.2238676264,GGA,C2/m,A2BC9D2E4_mC36_12_i_a_c4i_i_2i:F-Mg-O-Pb-Ti,18.0,A2BC9D2E4_mC36_12_i_a_c4i_i_2i:F-Mg-O-Pb-Ti +mp-19734,MgPbF6,-4.9572161162,-2.8594910006000003,0.0,-0.0490406037,GGA,R-3,A6BC_hR24_148_f_a_b:F-Mg-Pb,8.0,A6BC_hR24_148_f_a_b:F-Mg-Pb +mp-850365,Ni5Te(PO4)6,-7.1146148997,-2.0244945274,0.0823858959,0.0823858959,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Ni-O-P-Te,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Ni-O-P-Te, expected Ni5Te(PO10)6 to be Ni5Te(PO4)6" +mp-759830,Cr3NiTe2(PO4)6,-7.6297643656,-2.290146727,0.0860083486,0.0860083486,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Cr-Ni-O-P-Te,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_20b_2b_2a:Cr-Ni-O-P-Te, expected Cr3NiTe2(PO10)6 to be Cr3NiTe2(PO4)6" +mp-755844,NiTe(PO4)2,-7.065564996,-2.121935223,0.0484455058,0.0484455058,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Te,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-Te +mp-1352495,NiTeP2O9,-6.9483823335,-2.0045172575,0.0575133171,0.0575133171,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Te,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-Te +mp-1520083,SrCaMnWO6,-8.225464037,-2.6759269247,0.0772368924,0.0772368924,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Mn-O-Sr-W +mp-1228743,Ba2MnCu(P2O7)2,-7.686316972,-2.7769522527,0.0066908505,0.0066908505,GGA+U,P1,A2BCD14E4_aP22_1_2a_a_a_14a_4a:Ba-Cu-Mn-O-P,44.0,A2BCD14E4_aP22_1_2a_a_a_14a_4a:Ba-Cu-Mn-O-P +mp-30010,AsKrF7,-3.7548257447,-1.7441384283,0.0,-0.010875821,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:As-F-Kr,36.0,AB7C_mP36_14_e_7e_e:As-F-Kr +mp-1203221,AsBrKr2OF12,-3.3446013606,-1.3322476902,0.0734721272,0.0734721272,GGA,P2_1/c,ABC12D2E_mP68_14_e_e_12e_2e_e:As-Br-F-Kr-O,68.0,ABC12D2E_mP68_14_e_e_12e_2e_e:As-Br-F-Kr-O +mp-30014,As2Kr3F16,-3.4535225898,-1.545330004,0.00334062,0.00334062,GGA,P2_1/c,A2B16C3_mP84_14_2e_16e_3e:As-F-Kr,84.0,A2B16C3_mP84_14_2e_16e_3e:As-F-Kr +mp-1214313,Be3Tl2Zn2F12,-5.1296475421,-2.9506601885,0.0004746456,0.0004746456,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Tl-Zn,76.0,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-Tl-Zn +mp-1214702,Be2Tl2Zn(O3F4)2,-4.8536020913,-1.7780326365,0.2434427259,0.2434427259,GGA,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Tl-Zn,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Tl-Zn +mp-1237444,Be2Tl2Zn(O3F4)2,-4.8994756374,-1.8239061826,0.1975691798,0.1975691798,GGA,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Tl-Zn,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-O-Tl-Zn +mp-998745,TlZnF3,-4.242491584,-2.3711268522,0.0,-0.0226030385,GGA,Pm-3m,A3BC_cP5_221_c_a_b:F-Tl-Zn,5.0,A3BC_cP5_221_c_a_b:F-Tl-Zn +mp-761745,SrCd2H16(Br3O4)2,-4.5890856762,-1.3554320591,0.0451559921,0.0451559921,GGA,P2_12_12,A6B2C16D8E_oP66_18_3c_c_8c_ab3c_a:Br-Cd-H-O-Sr,66.0,"Invalid WP multiplicities - A6B2C16D8E_oP66_18_9c_c_29c_2a2b10c_a:Br-Cd-H-O-Sr, expected SrCd2H58(Br3O4)6 to be SrCd2H16(Br3O4)2" +mp-684827,CsNbNi(OF2)2,-6.6955935878,-2.8826894339,0.0,-0.0126692241,GGA+U,C2,AB4CDE2_mC36_5_ab_ab3c_c_c_abc:Cs-F-Nb-Ni-O,18.0,"Invalid WP multiplicities - AB4CDE2_mC36_5_ab_ab5c_c_c_abc:Cs-F-Nb-Ni-O, expected CsNbNi(OF3)2 to be CsNbNi(OF2)2" +mp-706239,NaCa2Mg2V3O12,-7.6125923501,-2.8552789552,0.0,-0.0315258467,GGA+U,I4_1/acd,A2B2CD12E3_tI160_142_e_c_b_3g_ae:Ca-Mg-Na-O-V,80.0,"Invalid WP multiplicities - A2B2CD12E3_tI160_142_e_c_b_33g_3a2e:Ca-Mg-Na-O-V, expected NaCa2Mg2V7O132 to be NaCa2Mg2V3O12" +mp-1227327,CaMn2V4CuO12,-8.342108752,-2.3358724545,0.0615277348,0.0615277348,GGA+U,Immm,ABC2D12E4_oI40_71_a_b_cd_lmn_k:Ca-Cu-Mn-O-V,20.0,ABC2D12E4_oI40_71_a_b_cd_lmn_k:Ca-Cu-Mn-O-V +mp-1227223,CaMnV4(CuO6)2,-7.9787286385,-2.2256327721,0.0536335481,0.0536335481,GGA+U,Immm,AB2CD12E4_oI40_71_a_bc_d_lmn_k:Ca-Cu-Mn-O-V,20.0,AB2CD12E4_oI40_71_a_bc_d_lmn_k:Ca-Cu-Mn-O-V +mp-1518530,NaLaYSbO6,-7.502083098,-2.8486693961,0.1708491267,0.1708491267,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sb-Y +mp-1223124,La3YSb3,-5.98628622,-1.177501056,0.021667347,0.021667347,GGA,C2,A3B3C_mC28_5_3c_ab2c_c:La-Sb-Y,14.0,A3B3C_mC28_5_3c_ab2c_c:La-Sb-Y +mp-1196570,Rb2LuSi4O10F,-7.7508259875,-3.3307339394,0.0,-0.0523881004,GGA,P2_1/m,ABC10D2E4_mP72_11_2e_f_4e8f_4e_4f:F-Lu-O-Rb-Si,72.0,ABC10D2E4_mP72_11_2e_f_4e8f_4e_4f:F-Lu-O-Rb-Si +mp-27313,NbSeF9,-5.5923826064,-2.7923346768,0.0,-0.0080598906,GGA,R3,A9BC_hR132_146_12b_ab_ab:F-Nb-Se,44.0,"Invalid WP multiplicities - A9BC_hR132_146_13b_ab_ab:F-Nb-Se, expected Nb4Se4F39 to be NbSeF9" +mp-7738,LaSeF,-6.7506328383,-3.3028336549,0.0,-0.0211366481,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:F-La-Se,6.0,ABC_hP6_194_c_d_a:F-La-Se +mp-17921,NbSeOF7,-5.9317964733,-2.7393706731,0.0,-0.0151102205,GGA,Pnma,A7BCD_oP40_62_3c2d_c_c_c:F-Nb-O-Se,40.0,A7BCD_oP40_62_3c2d_c_c_c:F-Nb-O-Se +mp-558478,La3NbSe2(O2F)2,-8.0660830223,-3.4401778481,0.0,-0.009400501,GGA,Pnma,A2B3CD4E2_oP48_62_2c_3c_c_4c_2c:F-La-Nb-O-Se,48.0,"Invalid WP multiplicities - A2B3CD4E2_oP48_62_2c_10c_c_13c_6c:F-La-Nb-O-Se, expected La10NbSe6O13F2 to be La3NbSe2(O2F)2" +mp-555955,LaSeO3F,-7.0172082199,-2.8199642725,0.0,-3.14755e-05,GGA,P2_1/c,ABC3D_mP72_14_3e_3e_9e_3e:F-La-O-Se,72.0,"Invalid WP multiplicities - ABC3D_mP72_14_9e_8e_34e_12e:F-La-O-Se, expected La8Se12O34F9 to be LaSeO3F" +mp-27312,Nb2SeF14,-5.9616427074,-2.9934528778,0.0,-0.0016940538,GGA,P2_1/c,A14B2C_mP68_14_14e_2e_e:F-Nb-Se,68.0,A14B2C_mP68_14_14e_2e_e:F-Nb-Se +mp-1518634,KSrZrBiO6,-7.0912132945,-2.6043918517,0.020838536,0.020838536,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Bi-K-O-Sr-Zr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Bi-K-O-Sr-Zr, expected K2SrZrBiO12 to be KSrZrBiO6" +mp-1518845,KSrZrBiO6,-7.07059017,-2.5837687272,0.0414616605,0.0414616605,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-Zr +mp-1198458,Rb2ScSi4O10F,-7.8097587021,-3.2890267326,0.0,-0.0365268494,GGA,P2_1/m,AB10C2DE4_mP72_11_2e_4e8f_4e_f_4f:F-O-Rb-Sc-Si,72.0,AB10C2DE4_mP72_11_2e_4e8f_4e_f_4f:F-O-Rb-Sc-Si +mp-1195951,Rb2ScSi4O10F,-7.8054349614,-3.2847029919,0.0043237407,-0.0322031087,GGA,I4/m,AB10C2DE4_tI72_87_ab_h2i_h_e_i:F-O-Rb-Sc-Si,36.0,AB10C2DE4_tI72_87_ab_h2i_h_e_i:F-O-Rb-Sc-Si +mp-1196025,Rb3Sc2Si4(O2F)5,-7.4612779653,-3.4474406946,0.0,-0.0023871504,GGA,Pnma,A5B10C3D2E4_oP96_62_a2cd_2c4d_3c_d_2d:F-O-Rb-Sc-Si,96.0,A5B10C3D2E4_oP96_62_a2cd_2c4d_3c_d_2d:F-O-Rb-Sc-Si +mp-648843,GeOs2C8(ClO2)4,-7.5032788831,-1.0739422316,0.158473266,0.158473266,GGA,Pc,A8B4CD8E2_mP138_7_24a_12a_3a_24a_6a:C-Cl-Ge-O-Os,138.0,"Invalid WP multiplicities - A8B4CD8E2_mP138_7_46a_22a_6a_47a_11a:C-Cl-Ge-O-Os, expected Ge6Os11C46Cl22O47 to be GeOs2C8(ClO2)4" +mp-1519830,KCaSmFeO6,-6.763453008,-2.164979164,0.2027130709,0.2027130709,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-K-O-Sm,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-K-O-Sm +mp-1519152,BaSrYNbO6,-8.432083659,-3.4464459776,0.0072207805,0.0072207805,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Nb-O-Sr-Y,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Nb-O-Sr-Y, expected BaSrYNbO12 to be BaSrYNbO6" +mp-1518940,BaSrYNbO6,-8.430139497,-3.4445018156,0.0091649425,0.0091649425,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sr-Y,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sr-Y +mp-1519160,BaSrYNbO6,-8.407033459,-3.4213957776,0.0322709805,0.0322709805,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-Y +mp-1194807,Na2Ca(CO3)2,-7.1566802508,-2.3577608218,0.0020280896,0.0020280896,GGA,Pbca,A2BC2D6_oP88_61_2c_c_2c_6c:C-Ca-Na-O,88.0,"Invalid WP multiplicities - A2BC2D6_oP88_61_2c_c_4c_12c:C-Ca-Na-O, expected Na4Ca(CO6)2 to be Na2Ca(CO3)2" +mp-1210373,Na2Ca(CO3)2,-7.0334083486,-2.2344889196,0.1252999917,0.1252999917,GGA,P6_3mc,A2BC2D6_hP22_186_ab_a_2b_2c:C-Ca-Na-O,22.0,A2BC2D6_hP22_186_ab_a_2b_2c:C-Ca-Na-O +mp-1105382,Na2CaC2O3,-5.9060074056000005,-1.1625014574,0.7127245191,0.7127245191,GGA,Cmcm,A2BC2D3_oC32_63_ac_c_f_cg:C-Ca-Na-O,16.0,A2BC2D3_oC32_63_ac_c_f_cg:C-Ca-Na-O +mp-982443,NaCaPb2,-3.022825445,-0.3344706166,0.014449743,0.014449743,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Na-Pb,4.0,ABC2_cF16_225_a_b_c:Ca-Na-Pb +mp-697211,Na2CaPb3(CO3)5,-7.2776974396,-2.0418416778,0.0023089083,0.0007552656,GGA,Cc,A5BC2D15E3_mC208_9_10a_2a_4a_30a_6a:C-Ca-Na-O-Pb,104.0,"Invalid WP multiplicities - A5BC2D15E3_mC208_9_17a_2a_5a_54a_9a:C-Ca-Na-O-Pb, expected Na5Ca2Pb9C17O54 to be Na2CaPb3(CO3)5" +mp-1221844,Na2CaPb3(CO3)5,-7.2800063479,-2.044150586,0.0,-0.0015536426,GGA,Cc,A5BC2D15E3_mC104_9_5a_a_2a_15a_3a:C-Ca-Na-O-Pb,52.0,"Invalid WP multiplicities - A5BC2D15E3_mC104_9_8a_a_4a_30a_6a:C-Ca-Na-O-Pb, expected Na4CaPb6(C4O15)2 to be Na2CaPb3(CO3)5" +mp-1191095,NaPb2C2O7,-6.8786800817,-1.7260157986,0.0869609652,0.0869609652,GGA,P6_3/mmc,A2BC7D2_hP24_194_e_c_dk_f:C-Na-O-Pb,24.0,A2BC7D2_hP24_194_e_c_dk_f:C-Na-O-Pb +mp-557391,Na2Ca2(CO3)3,-7.3948554456,-2.465952619,0.0,-0.0047510338,GGA,Amm2,A3B2C2D9_oC32_38_ae_d_ab_adef:C-Ca-Na-O,16.0,"Invalid WP multiplicities - A3B2C2D9_oC32_38_ae_d_ab_ad2ef:C-Ca-Na-O, expected Na2Ca2C3O11 to be Na2Ca2(CO3)3" +mp-568580,Na10(Ga2Sn)3,-2.4788940608,-0.1934969748,0.0,-0.0146030983,GGA,P4_2/mnm,A6B10C3_tP76_136_i2j_dfijk_gi:Ga-Na-Sn,76.0,"Invalid WP multiplicities - A6B10C3_tP76_136_3i10j_3d4f6i7j8k_3g4i:Ga-Na-Sn, expected Na65Ga26Sn11 to be Na10(Ga2Sn)3" +mp-1212045,K(FeSb3)4,-5.1963657565,-0.2235128937,0.0,-0.0144462482,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-K-Sb,17.0,A4BC12_cI34_204_c_a_g:Fe-K-Sb +mp-1520811,KLaFeSbO6,-7.18396974,-2.3514136631,0.1024732795,0.1024732795,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sb +mp-1211201,Na3Ho(PO4)2,-7.1621682405,-2.951446851,0.0,-0.0037558673,GGA,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Ho-Na-O-P,112.0,AB3C8D2_oP112_29_2a_6a_16a_4a:Ho-Na-O-P +mp-559910,Na2HoMoPO8,-7.6279050265,-2.777141814,0.0036400769,0.0036400769,GGA+U,Ibca,ABC2D8E_oI104_73_c_d_f_4f_c:Ho-Mo-Na-O-P,52.0,"Invalid WP multiplicities - ABC2D8E_oI104_73_c_d_f_26f_c:Ho-Mo-Na-O-P, expected Na2HoMoPO52 to be Na2HoMoPO8" +mp-1195468,NaHo(PO3)4,-7.7355650253,-2.9067645405,0.0084682673,0.0084682673,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ho-Na-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Ho-Na-O-P +mp-1203462,NaHoP2O7,-7.7856069314,-3.116665099,0.0,-0.0014404952,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ho-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ho-Na-O-P +mp-1519649,BaSrNbWO6,-8.518958588,-2.8841549949000003,0.0799961546,0.0799961546,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sr-W +mp-28218,TlCdCl3,-3.2097191885,-1.4434906112,0.0,-0.0162702725,GGA,Pnma,AB3C_oP20_62_c_3c_c:Cd-Cl-Tl,20.0,AB3C_oP20_62_c_3c_c:Cd-Cl-Tl +mp-560760,Tl4V5CdClO15,-7.1085793681,-2.0377385979,0.0,-0.0116548872,GGA+U,P4,ABC15D4E5_tP26_75_a_a_bc3d_d_bd:Cd-Cl-O-Tl-V,26.0,"Invalid WP multiplicities - ABC15D4E5_tP26_75_a_a_b2c9d_d_b2d:Cd-Cl-O-Tl-V, expected Tl4V9CdClO41 to be Tl4V5CdClO15" +mp-1517113,EuHfVSnO6,-9.145612432,-2.8468323298,0.169255212,0.169255212,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sn-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sn-V +mp-1214344,BaInFe4O7,-7.3084335892,-1.679390167,0.1850423643,0.1850423643,GGA+U,F-43m,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-In-O,13.0,AB4CD7_cF52_216_a_e_c_bg:Ba-Fe-In-O +mp-1522067,BaInFeWO6,-7.668730323,-2.0908360852,0.1948221645,0.1948221645,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-In-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Fe-In-O-W +mp-771757,Li4V3Co3(TeO8)2,-7.0119535618,-1.9531680536,0.107712579,0.107712579,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Te-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Te-V +mp-756566,Li4V3Co3(TeO8)2,-7.0107623182,-1.9519768101,0.1089038226,0.1089038226,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Te-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Co-Li-O-Te-V, expected Li4V3Co3(TeO10)2 to be Li4V3Co3(TeO8)2" +mp-1047071,Sr2YMn2GaO7,-7.7854070015,-2.7219911857,0.0808584751,0.0808584751,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Ga-Mn-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C7D2E_oI52_46_b_c_2b7c_c_a:Ga-Mn-O-Sr-Y, expected Sr2YMn2GaO16 to be Sr2YMn2GaO7" +mp-1207709,YMnGaO5,-8.1315964928,-2.7078432448000003,0.0,-0.0206553303,GGA+U,Pbam,ABC5D_oP32_55_g_e_fghi_h:Ga-Mn-O-Y,32.0,ABC5D_oP32_55_g_e_fghi_h:Ga-Mn-O-Y +mp-1198282,KAs2HO6,-6.1049054007,-1.7547559938,0.0,-0.0215352007,GGA,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:As-H-K-O,40.0,A2BCD6_mP40_14_2e_e_e_6e:As-H-K-O +mp-1223579,KAs(HO2)2,-5.7627572462,-1.7200417104,0.0,-0.0247655683,GGA,Fdd2,AB2CD4_oF64_43_a_b_a_2b:As-H-K-O,16.0,"Invalid WP multiplicities - AB2CD4_oF64_43_a_b_a_7b:As-H-K-O, expected KAs(HO7)2 to be KAs(HO2)2" +mp-1211694,KAs(HO2)2,-5.7557858269,-1.7130702910000002,0.0069714194,-0.0177941489,GGA,I-42d,AB2CD4_tI32_122_a_d_b_e:As-H-K-O,16.0,AB2CD4_tI32_122_a_d_b_e:As-H-K-O +mp-1223531,KAs4(HO4)3,-6.092492244,-1.6282264822,0.0,-0.0068130226,GGA,P1,A4B3CD12_aP20_1_4a_3a_a_12a:As-H-K-O,20.0,A4B3CD12_aP20_1_4a_3a_a_12a:As-H-K-O +mp-746371,KCo2As2HO8,-6.5088428361,-1.6794494731,0.0,-0.0117701217,GGA+U,P2/c,A2B2CDE8_mP56_13_2g_2g_g_ef_8g:As-Co-H-K-O,56.0,A2B2CDE8_mP56_13_2g_2g_g_ef_8g:As-Co-H-K-O +mp-1196329,K2AsH13O10,-5.3354865073,-1.4719387382,0.0,-0.0044518688,GGA,Cc,AB13C2D10_mC104_9_a_13a_2a_10a:As-H-K-O,52.0,AB13C2D10_mC104_9_a_13a_2a_10a:As-H-K-O +mp-1522180,KLaNbFeO6,-8.197790811,-2.7680043541,0.087382842,0.087382842,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Fe-K-La-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Fe-K-La-Nb-O +mp-568443,Al2VCl8,-4.7227003455,-1.8714866173,0.0,-0.0154968991,GGA,C2/c,A2B8C_mC44_15_f_4f_e:Al-Cl-V,22.0,"Invalid WP multiplicities - A2B8C_mC44_15_f_15f_e:Al-Cl-V, expected Al2VCl30 to be Al2VCl8" +mp-1045114,AlV3Se2ClO8,-7.121753071,-1.8276755146,0.3746007376,0.3746007376,GGA+U,P-1,ABC8D2E3_aP30_2_i_i_8i_2i_abdfi:Al-Cl-O-Se-V,30.0,"Invalid WP multiplicities - ABC8D2E3_aP30_2_i_i_15i_2i_abdfi:Al-Cl-O-Se-V, expected AlV3Se2ClO15 to be AlV3Se2ClO8" +mp-561035,BaFe2(SeO3)4,-6.525103255,-1.6723175810000002,0.0,-0.0338160686,GGA+U,P2/c,AB2C12D4_mP38_13_e_ab_6g_2g:Ba-Fe-O-Se,38.0,"Invalid WP multiplicities - AB2C12D4_mP38_13_e_a2b_23g_4g:Ba-Fe-O-Se, expected BaFe3(Se4O23)2 to be BaFe2(SeO3)4" +mp-1195190,Ba4Fe3(Se3F2)2,-5.3836997196,-1.7538557122,0.490837096,0.490837096,GGA+U,Pnma,A4B4C3D6_oP68_62_2d_2d_3c_2c2d:Ba-F-Fe-Se,68.0,A4B4C3D6_oP68_62_2d_2d_3c_2c2d:Ba-F-Fe-Se +mp-549058,Ba2Fe2Se2OF2,-6.3937537406,-2.3338135293,0.0039225261,0.0039225261,GGA+U,I4/mmm,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Fe-O-Se,18.0,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Fe-O-Se +mp-1101347,Ti3NbCr2(PO4)6,-8.4774184722,-2.8025790239,0.0668819451,0.0668819451,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Cr-Nb-O-P-Ti, expected Ti3NbCr2(P3O22)3 to be Ti3NbCr2(PO4)6" +mp-776002,Ti3Nb2Cr(PO4)6,-8.4516434717,-2.7643524242,0.1398858583,0.1398858583,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_3b_3a:Cr-Nb-O-P-Ti, expected Ti3Nb2Cr(P3O22)3 to be Ti3Nb2Cr(PO4)6" +mp-18944,Na5Y(WO4)4,-7.945027569,-2.4043107275,0.0057297098,0.0057297098,GGA+U,I4_1/a,A5B16C4D_tI104_88_af_4f_f_b:Na-O-W-Y,52.0,"Invalid WP multiplicities - A5B16C4D_tI104_88_2a3f_5f_f_b:Na-O-W-Y, expected Na14Y(WO5)4 to be Na5Y(WO4)4" +mp-1517501,NaYSnWO6,-7.875868391,-2.4321853151,0.1559835727,0.1559835727,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sn-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sn-W-Y +mp-962064,NaYSn,-3.94351389,-0.0106578027,0.5061780895,0.5061780895,GGA,F-43m,ABC_cF12_216_a_b_c:Na-Sn-Y,3.0,ABC_cF12_216_a_b_c:Na-Sn-Y +mp-1045036,YSn(WO4)2,-8.7564744492,-2.4259900226,0.0982086832,0.0982086832,GGA+U,P1,A8BC2D_aP12_1_8a_a_2a_a:O-Sn-W-Y,12.0,A8BC2D_aP12_1_8a_a_2a_a:O-Sn-W-Y +mp-1042152,YSn(WO4)2,-8.7659547004,-2.4354702739,0.088728432,0.088728432,GGA+U,P2/c,A8BC2D_mP24_13_4g_e_g_f:O-Sn-W-Y,24.0,A8BC2D_mP24_13_4g_e_g_f:O-Sn-W-Y +mp-1520229,SrFeSnWO6,-7.778156263,-2.0974213614,0.1833163745,0.1833163745,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Fe-O-Sn-Sr-W,10.0,AB6CDE_cF40_216_a_f_c_d_b:Fe-O-Sn-Sr-W +mp-706228,K4Ti3Co(PO4)6,-7.771508445,-2.8652786097,0.0028105555,0.0028105555,GGA+U,P2_1,AB4C24D6E3_mP76_4_a_4a_24a_6a_3a:Co-K-O-P-Ti,76.0,"Invalid WP multiplicities - AB4C24D6E3_mP76_4_a_6a_46a_10a_4a:Co-K-O-P-Ti, expected K6Ti4Co(P5O23)2 to be K4Ti3Co(PO4)6" +mp-1211908,K4CoP6O25,-6.4589024317,-1.8006539204,0.2957093397,0.2957093397,GGA+U,Fmm2,AB4C25D6_oF144_42_a_bc_a4c2d3e_ce:Co-K-O-P,36.0,AB4C25D6_oF144_42_a_bc_a4c2d3e_ce:Co-K-O-P +mp-1211872,KCo2(PO4)2,-7.321730816,-2.265796259,0.0,-0.0245111396,GGA+U,C2/c,A2BC8D2_mC104_15_2f_f_8f_2f:Co-K-O-P,52.0,A2BC8D2_mC104_15_2f_f_8f_2f:Co-K-O-P +mp-6268,KTiPO5,-7.9467334564,-3.0526538281,0.0,-0.0400084518,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:K-O-P-Ti,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_3a_13a_2a_2a:K-O-P-Ti, expected K3Ti2P2O13 to be KTiPO5" +mp-1198407,KTiPO5,-7.9328692203,-3.038789592,0.0138642361,-0.0261442157,GGA,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:K-O-P-Ti,64.0,AB5CD_oP64_33_2a_10a_2a_2a:K-O-P-Ti +mp-646599,KCo4(PO4)3,-7.4759343295,-2.2187422204,0.0115434363,0.0115434363,GGA+U,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Co-K-O-P,80.0,"Invalid WP multiplicities - A4BC12D3_oP80_58_7g3h_g_24g22h_6g:Co-K-O-P, expected KCo13(P3O34)2 to be KCo4(PO4)3" +mp-1223973,K7Ti8(PO4)12,-7.9621526172,-2.9843203908,0.0054586954,0.0054586954,GGA,R3,A7B48C12D8_hR225_146_a2b_16b_4b_2a2b:K-O-P-Ti,75.0,"Invalid WP multiplicities - A7B48C12D8_hR225_146_a2b_32b_8b_2a2b:K-O-P-Ti, expected K7Ti8(PO4)24 to be K7Ti8(PO4)12" +mp-541238,KTi2(PO4)3,-8.1735874639,-3.0346121841,0.0,-0.0301558138,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:K-O-P-Ti,36.0,AB12C3D2_hR108_167_b_2f_e_c:K-O-P-Ti +mp-1223415,KTi2(PO4)3,-8.1598702158,-3.0208949361,0.0137172481,-0.0164385657,GGA,P2_13,AB12C3D2_cP72_198_a_4b_b_2a:K-O-P-Ti,72.0,AB12C3D2_cP72_198_a_4b_b_2a:K-O-P-Ti +mp-560239,K3Ti3(PO4)5,-7.9182390214,-2.9821758069,0.0016806085,0.0016806085,GGA,Pca2_1,A3B20C5D3_oP124_29_3a_20a_5a_3a:K-O-P-Ti,124.0,"Invalid WP multiplicities - A3B20C5D3_oP124_29_10a_77a_16a_10a:K-O-P-Ti, expected K10Ti10P16O77 to be K3Ti3(PO4)5" +mp-1206349,K(CoP)2,-5.82424631,-0.5935183999,0.0,-0.1105060616,GGA,I4/mmm,A2BC2_tI10_139_d_a_e:Co-K-P,5.0,A2BC2_tI10_139_d_a_e:Co-K-P +mp-540548,K2Co(PO3)4,-7.2611252708,-2.5062520997,0.0494573471,0.0494573471,GGA+U,Cc,AB2C12D4_mC76_9_a_2a_12a_4a:Co-K-O-P,38.0,AB2C12D4_mC76_9_a_2a_12a_4a:Co-K-O-P +mp-6696,K2Ti2(PO4)3,-7.8965266842,-2.9695817378,0.006039528,0.006039528,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-P-Ti,76.0,"Invalid WP multiplicities - A2B12C3D2_cP76_198_2a_8b_b_2a:K-O-P-Ti, expected K2Ti2(PO8)3 to be K2Ti2(PO4)3" +mp-17234,KTiP2O7,-7.8320715014,-2.8812245054,0.0383730788,0.0383730788,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Ti,44.0,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Ti +mp-1192991,KCo(PO3)3,-7.3659047071,-2.4388459455,0.0685240939,0.0391685353,GGA+U,P1,ABC9D3_aP28_1_2a_2a_18a_6a:Co-K-O-P,28.0,ABC9D3_aP28_1_2a_2a_18a_6a:Co-K-O-P +mp-1192408,KCo(PO3)3,-7.4344288011,-2.5073700394,0.0,-0.0293555586,GGA+U,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Co-K-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Co-K-O-P +mp-557981,KCoPO4,-7.1295162131,-2.3554056283,0.0,-0.0437230937,GGA+U,P6_3,ABC4D_hP168_173_4c_a2b3c_16c_4c:Co-K-O-P,168.0,ABC4D_hP168_173_4c_a2b3c_16c_4c:Co-K-O-P +mp-555508,Ca11Si4SO18,-7.3965057985,-3.3688670494,0.0250307009,0.0250307009,GGA,I-4m2,A11B18CD4_tI68_119_af2i_cd2j_b_g:Ca-O-S-Si,34.0,"Invalid WP multiplicities - A11B18CD4_tI68_119_a2f5i_cd12j_b_g:Ca-O-S-Si, expected Ca25Si4SO98 to be Ca11Si4SO18" +mp-42163,Ca10Si3S3(ClO12)2,-7.1315883574,-3.0563763364,0.0282775996,0.0282775996,GGA,Pm,A10B2C24D3E3_mP42_6_3a3b2c_c_6a6b6c_2ab_a2b:Ca-Cl-O-S-Si,42.0,A10B2C24D3E3_mP42_6_3a3b2c_c_6a6b6c_2ab_a2b:Ca-Cl-O-S-Si +mp-1227702,Ca10Si3S3(ClO12)2,-7.1297915148,-3.0545794938,0.0300744423,0.0300744423,GGA,P-6,A10B2C24D3E3_hP42_174_ghjk_i_2j2k2l_j_k:Ca-Cl-O-S-Si,42.0,"Invalid WP multiplicities - A10B2C24D3E3_hP42_174_2ghjk_i_2j2k3l_j_k:Ca-Cl-O-S-Si, expected Ca12Si3S3(ClO15)2 to be Ca10Si3S3(ClO12)2" +mp-695095,Ca19Si6S6(ClO24)2,-7.2050814107,-3.0493389841,0.0449690006,0.0449690006,GGA,Pm,A19B2C48D6E6_mP81_6_2a3b7c_c_6a6b18c_2a2bc_ab2c:Ca-Cl-O-S-Si,81.0,"Invalid WP multiplicities - A19B2C48D6E6_mP81_6_2a3b8c_c_6a6b23c_2a2bc_ab2c:Ca-Cl-O-S-Si, expected Ca21Si6S6(ClO29)2 to be Ca19Si6S6(ClO24)2" +mp-1196842,Ca3SiS2O25,-5.5851756102,-0.9599422171,0.6298413126,0.6298413126,GGA,P2_1,A3B25C2D_mP62_4_3a_25a_2a_a:Ca-O-S-Si,62.0,"Invalid WP multiplicities - A3B25C2D_mP62_4_6a_49a_2a_a:Ca-O-S-Si, expected Ca6SiS2O49 to be Ca3SiS2O25" +mp-556040,CaS2(ClO3)2,-6.0380035889,-2.069303116,0.0,-0.039487428,GGA,Pbca,AB2C6D2_oP88_61_c_2c_6c_2c:Ca-Cl-O-S,88.0,"Invalid WP multiplicities - AB2C6D2_oP88_61_c_6c_45c_8c:Ca-Cl-O-S, expected CaS8(Cl2O15)3 to be CaS2(ClO3)2" +mp-1194033,Ca2SiS4,-5.5446347207,-1.8328751125,0.0,-0.02806845,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ca-S-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Ca-S-Si +mp-6607,Ca5Si2SO12,-7.4496924841,-3.230924991,0.0042084859,0.0042084859,GGA,Pnma,A5B12CD2_oP80_62_c2d_2c5d_c_d:Ca-O-S-Si,80.0,"Invalid WP multiplicities - A5B12CD2_oP80_62_c2d_2c8d_c_d:Ca-O-S-Si, expected Ca5Si2SO18 to be Ca5Si2SO12" +mp-1106020,Zr5SiSn3,-7.4017147183,-0.71365508,0.0,-0.0505215661,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Si-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:Si-Sn-Zr +mp-1224617,K8Zr3Si12SnO40,-7.5255272161,-2.8144767453,0.1293577441,0.1293577441,GGA,P1,A8B40C12DE3_aP64_1_8a_40a_12a_a_3a:K-O-Si-Sn-Zr,64.0,A8B40C12DE3_aP64_1_8a_40a_12a_a_3a:K-O-Si-Sn-Zr +mp-762352,P(H3C)3,-5.06579083,-0.1708805693,0.0492550168,0.0492550168,GGA,Pnma,A3B9C_oP104_62_2c2d_2c8d_2c:C-H-P,104.0,"Invalid WP multiplicities - A3B9C_oP104_62_5c8d_8c29d_5c:C-H-P, expected P5(H22C7)3 to be P(H3C)3" +mp-1202409,InGe2P(H3C)8,-4.9258896821,-0.1296177108,0.0937978928,0.0937978928,GGA,P-1,A8B2C24DE_aP72_2_8i_2i_24i_i_i:C-Ge-H-In-P,72.0,A8B2C24DE_aP72_2_8i_2i_24i_i_i:C-Ge-H-In-P +mp-1195494,NpH4ClO4,-6.781256935,-1.9658593984,0.0060966401,0.0060966401,GGA,I4_1/a,AB4CD4_tI320_88_2f_8f_2f_8f:Cl-H-Np-O,160.0,AB4CD4_tI320_88_2f_8f_2f_8f:Cl-H-Np-O +mp-1195299,K3Np(HO3)2,-6.722206234,-2.3268261606,0.0,-0.0603798616,GGA,Pccn,A2B3CD6_oP48_56_e_ce_a_3e:H-K-Np-O,48.0,A2B3CD6_oP48_56_e_ce_a_3e:H-K-Np-O +mp-1201541,NpH6Cl2O13,-5.8657056797,-1.2607892016,0.0,-0.0396180855,GGA,P2_1/c,A2B6CD13_mP88_14_2e_6e_e_13e:Cl-H-Np-O,88.0,A2B6CD13_mP88_14_2e_6e_e_13e:Cl-H-Np-O +mp-557615,K3Np(H3O4)2,-6.1988224736,-1.9649978913,0.0161911261,0.0135708893,GGA,P2_1/c,A6B3CD8_mP36_14_3e_ae_c_4e:H-K-Np-O,36.0,"Invalid WP multiplicities - A6B3CD8_mP36_14_9e_2a2e_c_14e:H-K-Np-O, expected K6Np(H9O14)2 to be K3Np(H3O4)2" +mp-1194761,K3Np(H3O4)2,-6.2150135997,-1.9811890174,0.0,-0.0026202368,GGA,P2_1/c,A6B3CD8_mP36_14_3e_ae_c_4e:H-K-Np-O,36.0,A6B3CD8_mP36_14_3e_ae_c_4e:H-K-Np-O +mp-1223683,KInAs3H7O13,-5.8490916856,-1.6132727475,0.0,-0.0054691559,GGA,Pc,A3B7CDE13_mP50_7_3a_7a_a_a_13a:As-H-In-K-O,50.0,"Invalid WP multiplicities - A3B7CDE13_mP50_7_4a_10a_a_a_19a:As-H-In-K-O, expected KInAs4H10O19 to be KInAs3H7O13" +mp-1195503,InAs(H2O3)2,-5.788600531,-1.5667806492,0.0,-0.0050292317,GGA,Pbca,AB4CD6_oP96_61_c_4c_c_6c:As-H-In-O,96.0,AB4CD6_oP96_61_c_4c_c_6c:As-H-In-O +mp-1238070,InAs(H2O3)2,-5.4909823654,-1.2691624835,0.2976181656,0.292588934,GGA,Pbca,AB4CD6_oP96_61_c_4c_c_6c:As-H-In-O,96.0,AB4CD6_oP96_61_c_4c_c_6c:As-H-In-O +mp-1188700,InAsH2O5,-5.9805058589,-1.6549838832,0.0,-0.0293690151,GGA,P-1,AB2CD5_aP18_2_i_2i_i_5i:As-H-In-O,18.0,AB2CD5_aP18_2_i_2i_i_5i:As-H-In-O +mp-29349,HSN,-5.2887879488,-0.0002310031,0.338646049,0.338646049,GGA,Pnma,ABC_oP48_62_2cd_2cd_2d:H-N-S,48.0,ABC_oP48_62_2cd_2cd_2d:H-N-S +mp-1194850,Mn3As2H26(S4N5)2,-5.3690097019,-0.4410156603,0.0528513717,0.0528513717,GGA,C2/c,A2B26C3D10E8_mC196_15_f_13f_ef_5f_4f:As-H-Mn-N-S,98.0,A2B26C3D10E8_mC196_15_f_13f_ef_5f_4f:As-H-Mn-N-S +mp-23977,HS7N,-4.4667357597,0.0537498001,0.1667088174,0.1667088174,GGA,Pnma,ABC7_oP36_62_c_c_c3d:H-N-S,36.0,ABC7_oP36_62_c_c_c3d:H-N-S +mp-24290,HS7N,-4.5192207319,0.0012648278,0.1142238452,0.1142238452,GGA,Pnma,ABC7_oP36_62_c_c_c3d:H-N-S,36.0,ABC7_oP36_62_c_c_c3d:H-N-S +mp-604209,H6SN2,-4.7002420431,-0.1262647112,0.3081315134,0.3081315134,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:H-N-S,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_46e_13e_6e:H-N-S, expected H46S6N13 to be H6SN2" +mp-1181459,H6SN2,-4.7610066938,-0.1870293619,0.2473668627,0.2473668627,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:H-N-S,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_46e_13e_6e:H-N-S, expected H46S6N13 to be H6SN2" +mp-1181460,H6SN2,-4.7371976685,-0.1632203366,0.271175888,0.271175888,GGA,P2_1/c,A6B2C_mP72_14_12e_4e_2e:H-N-S,72.0,"Invalid WP multiplicities - A6B2C_mP72_14_46e_13e_6e:H-N-S, expected H46S6N13 to be H6SN2" +mp-29491,HS8N,-4.4533919407,0.0286900497,0.1303531654,0.1303531654,GGA,Pca2_1,ABC8_oP40_29_a_a_8a:H-N-S,40.0,ABC8_oP40_29_a_a_8a:H-N-S +mp-1195801,MnAs2H16(S2N)4,-4.9876440228,-0.49727475,0.0,-0.0366245646,GGA,P2/c,A2B16CD4E8_mP124_13_2g_16g_g_2e3g_8g:As-H-Mn-N-S,124.0,A2B16CD4E8_mP124_13_2g_16g_g_2e3g_8g:As-H-Mn-N-S +mp-505451,HS9N,-4.4247670216,0.0258938668,0.118314881,0.118314881,GGA,Pnma,ABC9_oP44_62_c_c_c4d:H-N-S,44.0,ABC9_oP44_62_c_c_c4d:H-N-S +mp-27669,HS3N,-4.8549005392,-0.0271864251,0.1761398061,0.1761398061,GGA,P2/c,ABC3_mP40_13_2g_2g_6g:H-N-S,40.0,ABC3_mP40_13_2g_2g_6g:H-N-S +mp-706654,HS3N,-4.8561778764,-0.0284637623,0.174862469,0.174862469,GGA,Pbca,ABC3_oP80_61_2c_2c_6c:H-N-S,80.0,ABC3_oP80_61_2c_2c_6c:H-N-S +mp-696216,HS3N,-4.855782356,-0.0280682419,0.1752579894,0.1752579894,GGA,Pnma,ABC3_oP40_62_2c_2c_3d:H-N-S,40.0,ABC3_oP40_62_2c_2c_3d:H-N-S +mp-28143,H8S5N2,-4.776414793,-0.4766116234,0.0,-0.0430447202,GGA,P2_1/c,A8B2C5_mP60_14_8e_2e_5e:H-N-S,60.0,"Invalid WP multiplicities - A8B2C5_mP60_14_11e_2e_5e:H-N-S, expected H11S5N2 to be H8S5N2" +mp-1197921,H4S4N,-4.7244136886,-0.4518360694,0.0,-0.0546597166,GGA,C2/m,A4BC4_mC72_12_4j_j_4j:H-N-S,36.0,A4BC4_mC72_12_4j_j_4j:H-N-S +mp-27714,H3OF,-4.945832638,-1.5385634753,0.0,-0.0207401395,GGA,Pnma,AB3C_oP20_62_c_cd_c:F-H-O,20.0,AB3C_oP20_62_c_cd_c:F-H-O +mp-642810,HOF,-4.1904063375,-0.7734417629,0.3769988296,0.3769988296,GGA,P2_12_12_1,ABC_oP12_19_a_a_a:F-H-O,12.0,ABC_oP12_19_a_a_a:F-H-O +mp-28003,H6OF4,-4.6818114909,-1.6864514135,0.0,-0.0287500634,GGA,P-1,A4B6C_aP22_2_4i_6i_i:F-H-O,22.0,A4B6C_aP22_2_4i_6i_i:F-H-O +mp-23798,H4OF2,-4.8103745889,-1.618867328,0.0,-0.0028387423,GGA,P2_1/c,A2B4C_mP28_14_2e_4e_e:F-H-O,28.0,A2B4C_mP28_14_2e_4e_e:F-H-O +mp-777766,Li3NbHO2F7,-5.7543776998,-2.719054137,0.1181265461,0.1181265461,GGA,Pbcn,A7BC3DE2_oP112_60_7d_2c_3d_d_2d:F-H-Li-Nb-O,112.0,"Invalid WP multiplicities - A7BC3DE2_oP112_60_25d_6c_9d_d_5d:F-H-Li-Nb-O, expected Li9NbH3(OF5)5 to be Li3NbHO2F7" +mp-10935,NaErPO4F,-7.4911798494,-3.3659572965,0.0038552756,0.0038552756,GGA,C2/m,ABCD4E_mC32_12_i_i_g_2ij_i:Er-F-Na-O-P,16.0,"Invalid WP multiplicities - ABCD4E_mC32_12_i_i_g_2i2j_i:Er-F-Na-O-P, expected NaErPO6F to be NaErPO4F" +mp-10474,NaPF6,-5.3201502175,-3.0445625169,0.0,-0.11837114,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Na-P,8.0,A6BC_cF32_225_e_a_b:F-Na-P +mp-35683,NaPF3,-4.699126028,-2.2050730875,0.4486901764,0.4486901764,GGA,P1,A3BC_aP5_1_3a_a_a:F-Na-P,5.0,A3BC_aP5_1_3a_a_a:F-Na-P +mp-725680,NaPOF6,-4.9998573239,-2.4274806221,0.2787971707,0.2787971707,GGA,Imma,A6BCD_oI36_74_hj_c_e_a:F-Na-O-P,18.0,A6BCD_oI36_74_hj_c_e_a:F-Na-O-P +mp-12159,Na2PO3F,-6.2533962496,-2.709125079,0.0174115629,0.0174115629,GGA,P2_12_12_1,AB2C3D_oP56_19_2a_4a_6a_2a:F-Na-O-P,56.0,AB2C3D_oP56_19_2a_4a_6a_2a:F-Na-O-P +mp-1182635,Ba8CaY2U4O24,-8.5499146991,-3.5710298084,0.0024625404,-0.020996764,GGA,Pmmm,A8BC24D4E2_oP156_47_2w2x2y2z_adfg_6A2i2j2k2l4u4v_ijkluv_A:Ba-Ca-O-U-Y,156.0,"Invalid WP multiplicities - A8BC24D4E2_oP156_47_5w6x7y7z_adfg_44A3i4j4k4l15u16v_2i2j2k2l3u3v_A:Ba-Ca-O-U-Y, expected Ba50Ca2Y4U20O253 to be Ba8CaY2U4O24" +mp-667498,Ba8CaY2U4O24,-8.5523772395,-3.5734923488,0.0,-0.0234593044,GGA,Cmmm,A8BC24D4E2_oC156_65_2opq_ac_2g2h4n3r_ghn_m:Ba-Ca-O-U-Y,78.0,"Invalid WP multiplicities - A8BC24D4E2_oC156_65_7o2p3q_ac_4g4h15n19r_2g2h3n_m:Ba-Ca-O-U-Y, expected Ba24CaY2U10O114 to be Ba8CaY2U4O24" +mp-1205425,Ba8CaY2U4O24,-8.5520449297,-3.5731600391,0.0003323097,-0.0231269947,GGA,I4/mmm,A8BC24D4E2_tI78_139_m_a_2egijn_ce_d:Ba-Ca-O-U-Y,39.0,A8BC24D4E2_tI78_139_m_a_2egijn_ce_d:Ba-Ca-O-U-Y +mp-1205713,Ba2YUO6,-8.775486307,-3.6478899799,0.0,-0.0600733505,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-U-Y +mp-7680,K2CaCu(NO2)6,-6.5159488218,-1.1657288887,0.1296555561,0.1296555561,GGA,Fmmm,ABC2D6E12_oF88_69_a_b_f_ghi_mno:Ca-Cu-K-N-O,22.0,"Invalid WP multiplicities - ABC2D6E12_oF88_69_a_b_f_ghi_2m2no:Ca-Cu-K-N-O, expected K2CaCu(N3O10)2 to be K2CaCu(NO2)6" +mp-557597,K2Ca(NO2)4,-6.3634121,-1.2203529557,0.2668424281,0.2668424281,GGA,C2/m,AB2C4D8_mC30_12_a_i_2i_2j:Ca-K-N-O,15.0,"Invalid WP multiplicities - AB2C4D8_mC30_12_a_i_3i_4j:Ca-K-N-O, expected K2Ca(N3O8)2 to be K2Ca(NO2)4" +mp-1247306,K2Ca5N4,-4.6910544025,-0.5460746758,0.1948072025,0.1948072025,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-K-N,44.0,A5B2C4_tP44_130_cg_f_g:Ca-K-N +mp-1245709,KCaN,-4.0810287567,-0.2635308393,0.3169238762,0.3169238762,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-K-N,12.0,ABC_oP12_62_c_c_c:Ca-K-N +mp-1247003,KCaN,-4.0613371833,-0.243839266,0.3366154496,0.3366154496,GGA,R3m,ABC_hR9_160_a_a_a:Ca-K-N,3.0,ABC_hR9_160_a_a_a:Ca-K-N +mp-1246319,KCuN,-4.374486425,0.1408804223,0.3265871132,0.3265871132,GGA,Cc,ABC_mC12_9_a_a_a:Cu-K-N,6.0,ABC_mC12_9_a_a_a:Cu-K-N +mp-1245556,KCuN,-4.3481543792,0.1672124682,0.3529191591,0.3529191591,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-K-N,12.0,ABC_oP12_62_c_c_c:Cu-K-N +mp-1246678,KCuN,-4.2448820167,0.2704848307,0.4561915216,0.4561915216,GGA,P-6m2,ABC_hP3_187_a_d_e:Cu-K-N,3.0,ABC_hP3_187_a_d_e:Cu-K-N +mp-559099,K3Cu(NO3)5,-6.3401930976,-1.2021427307,0.0,-0.0086388108,GGA,P2_1/c,AB3C5D15_mP96_14_e_3e_5e_15e:Cu-K-N-O,96.0,"Invalid WP multiplicities - AB3C5D15_mP96_14_e_10e_19e_56e:Cu-K-N-O, expected K10CuN19O56 to be K3Cu(NO3)5" +mp-703559,KSrAs(H4O3)4,-5.4527991605,-1.5462542553,0.0,-0.0006163054,GGA,I4_1md,AB16CD12E_tI124_109_a_4c_a_4bc_a:As-H-K-O-Sr,62.0,AB16CD12E_tI124_109_a_4c_a_4bc_a:As-H-K-O-Sr +mp-643579,SbH3OF6,-4.9629728059,-2.1699962703,0.0,-0.0318695816,GGA,I2_13,A6B3CD_cI88_199_2c_c_a_a:F-H-O-Sb,44.0,A6B3CD_cI88_199_2c_c_a_a:F-H-O-Sb +mp-1199397,NiSb2H12(O3F4)2,-5.216067496,-1.777349713,0.0,-0.0002503952,GGA+U,P2_1/c,A8B12CD6E2_mP58_14_4e_6e_a_3e_e:F-H-Ni-O-Sb,58.0,A8B12CD6E2_mP58_14_4e_6e_a_3e_e:F-H-Ni-O-Sb +mp-1180862,NiSb2H8(O3F4)2,-5.024950705,-1.5788742439,0.3111943975,0.3111943975,GGA+U,P2_1/c,A8B8CD6E2_mP50_14_4e_4e_a_3e_e:F-H-Ni-O-Sb,50.0,A8B8CD6E2_mP50_14_4e_4e_a_3e_e:F-H-Ni-O-Sb +mp-1219551,SbH5(OF3)2,-5.0293383454,-1.9968467245,0.0,-0.0171237934,GGA,P1,A6B5C2D_aP28_1_12a_10a_4a_2a:F-H-O-Sb,28.0,A6B5C2D_aP28_1_12a_10a_4a_2a:F-H-O-Sb +mp-772040,SbH(OF3)2,-4.794044481,-1.9056466298,0.0026466712,0.0026466712,GGA,P-1,A6BC2D_aP20_2_6i_i_2i_i:F-H-O-Sb,20.0,"Invalid WP multiplicities - A6BC2D_aP20_2_11i_i_3i_i:F-H-O-Sb, expected SbHO3F11 to be SbH(OF3)2" +mp-1221238,SbH5(O2F3)2,-4.9474056303000005,-1.6756393731,0.0716015108,0.0716015108,GGA,P1,A6B5C4D_aP32_1_12a_10a_8a_2a:F-H-O-Sb,32.0,A6B5C4D_aP32_1_12a_10a_8a_2a:F-H-O-Sb +mp-1105117,Ni3Sb4(OF)6,-5.9817890597000005,-2.0341353191,0.0,-0.0081685603,GGA+U,I-43m,A6B3C6D4_cI38_217_d_b_e_c:F-Ni-O-Sb,38.0,A6B3C6D4_cI38_217_d_b_e_c:F-Ni-O-Sb +mp-2647151,H5C56O,-8.7036713034,-0.0147102305,0.0627104619,0.0627104619,GGA,P1,A56B5C_aP62_1_56a_5a_a:C-H-O,62.0,A56B5C_aP62_1_56a_5a_a:C-H-O +mp-625104,H2CO2,-5.9344439155,-0.7529449145,0.5473906773,0.5473906773,GGA,Pna2_1,AB2C2_oP20_33_a_2a_2a:C-H-O,20.0,AB2C2_oP20_33_a_2a_2a:C-H-O +mp-625105,H2CO2,-5.9323564405,-0.7508574395000001,0.5494781523,0.5494781523,GGA,Pna2_1,AB2C2_oP20_33_a_2a_2a:C-H-O,20.0,AB2C2_oP20_33_a_2a_2a:C-H-O +mp-558412,H2CO2,-6.3527212875,-1.1712222865,0.1291133053,0.1291133053,GGA,Pna2_1,AB2C2_oP20_33_a_2a_2a:C-H-O,20.0,"Invalid WP multiplicities - AB2C2_oP20_33_a_4a_7a:C-H-O, expected H4CO7 to be H2CO2" +mp-1181348,H2CO2,-6.3132461795,-1.1317471785,0.1685884133,0.1685884133,GGA,Pna2_1,AB2C2_oP20_33_a_2a_2a:C-H-O,20.0,AB2C2_oP20_33_a_2a_2a:C-H-O +mp-995204,H4C6O,-6.9413984259,-0.224163349,0.1833011337,0.1833011337,GGA,Pbcn,A6B4C_oP44_60_3d_2d_c:C-H-O,44.0,A6B4C_oP44_60_3d_2d_c:C-H-O +mp-995218,H4C5O2,-6.856056545,-0.5280920845,0.1712101084,0.1712101084,GGA,P-1,A5B4C2_aP22_2_5i_4i_2i:C-H-O,22.0,A5B4C2_aP22_2_5i_4i_2i:C-H-O +mp-995206,H2CO,-5.8326360944,-0.5924345209,0.3691059944,0.3691059944,GGA,P2/c,AB2C_mP16_13_ef_2g_ef:C-H-O,16.0,AB2C_mP16_13_ef_2g_ef:C-H-O +mp-625082,H2CO,-5.9764362625,-0.7362346891,0.2253058262,0.2253058262,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:C-H-O,16.0,"Invalid WP multiplicities - AB2C_oP16_19_a_8a_a:C-H-O, expected H8CO to be H2CO" +mp-1096984,H2CO,-5.9538765044,-0.7136749309,0.2478655844,0.2478655844,GGA,C222_1,AB2C_oC32_20_ab_2c_c:C-H-O,16.0,AB2C_oC32_20_ab_2c_c:C-H-O +mp-555711,H2CO,-5.9664060118,-0.7262044383,0.235336077,0.235336077,GGA,Pbcn,AB2C_oP80_60_c2d_5d_c2d:C-H-O,80.0,"Invalid WP multiplicities - AB2C_oP80_60_4c11d_31d_3c9d:C-H-O, expected H62C26O21 to be H2CO" +mp-995226,H2CO,-5.9458379038,-0.7056363303000001,0.255904185,0.255904185,GGA,I4_1/a,AB2C_tI64_88_f_2f_f:C-H-O,32.0,AB2C_tI64_88_f_2f_f:C-H-O +mp-23683,H2CO,-5.9691765567,-0.7289749832,0.2325655321,0.2325655321,GGA,R3c,AB2C_hR72_161_b_2b_b:C-H-O,24.0,AB2C_hR72_161_b_2b_b:C-H-O +mp-675395,H(CO)2,-7.2772610512,-0.9285741608,0.2526968146,0.2526968146,GGA,Pm,A2BC2_mP40_6_4a4b4c_2a2b2c_4a4b4c:C-H-O,40.0,A2BC2_mP40_6_4a4b8c_2a2b4c_4a4b8c:C-H-O +mp-675784,H(CO)2,-7.242741561,-0.8940546705,0.2872163049,0.2872163049,GGA,Cm,A2BC2_mC20_8_4a_2a_4a:C-H-O,10.0,A2BC2_mC20_8_4a_2a_4a:C-H-O +mp-23680,H(CO)2,-7.2449284535,-0.896241563,0.2850294124,0.2850294124,GGA,P2_1/m,A2BC2_mP20_11_4e_2e_4e:C-H-O,20.0,"Invalid WP multiplicities - A2BC2_mP20_11_6e_4e_5e:C-H-O, expected H4C6O5 to be H(CO)2" +mp-707412,H22C10O3,-5.3207478491,-0.1274137335,0.3476166715,0.3476166715,GGA,Fdd2,A10B22C3_oF560_43_10b_22b_3b:C-H-O,140.0,A10B22C3_oF560_43_10b_22b_3b:C-H-O +mp-707910,H22C10O3,-5.5926105179,-0.3992764023,0.0757540027,0.0757540027,GGA,Fdd2,A10B22C3_oF560_43_10b_22b_3b:C-H-O,140.0,A10B22C3_oF560_43_10b_22b_3b:C-H-O +mp-995234,HCO,-6.7337739912,-0.8777472416000001,0.2058657515,0.2058657515,GGA,P1,ABC_aP42_1_14a_14a_14a:C-H-O,42.0,ABC_aP42_1_14a_14a_14a:C-H-O +mp-555128,H8C3O2,-5.440774449,-0.4622219675,0.227333311,0.227333311,GGA,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:C-H-O,52.0,"Invalid WP multiplicities - A3B8C2_mP52_14_8e_31e_6e:C-H-O, expected H31(C4O3)2 to be H8C3O2" +mp-995220,H4C2O,-5.6830943408,-0.4009623585,0.2393389715,0.2393389715,GGA,P1,A2B4C_aP49_1_14a_28a_7a:C-H-O,49.0,A2B4C_aP49_1_14a_28a_7a:C-H-O +mp-995219,H4C2O,-5.7339043837,-0.4517724014,0.1885289286,0.1885289286,GGA,I4_1/a,A2B4C_tI112_88_2f_4f_f:C-H-O,56.0,A2B4C_tI112_88_2f_4f_f:C-H-O +mp-1001080,H2CO3,-6.6638202567,-1.521456304,0.0047426721,0.0047426721,GGA,Cmcm,AB2C3_oC24_63_c_f_cf:C-H-O,12.0,AB2C3_oC24_63_c_f_cf:C-H-O +mp-1181214,H3CO3,-6.2173559768,-1.3249402966,0.0682764088,0.0682764088,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:C-H-O,28.0,AB3C3_mP28_14_e_3e_3e:C-H-O +mp-1181349,H3CO3,-6.2041397432,-1.311724063,0.0814926424,0.0814926424,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:C-H-O,28.0,AB3C3_mP28_14_e_3e_3e:C-H-O +mp-1194227,H3CO3,-6.2196067557,-1.3271910755,0.0660256299,0.0660256299,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:C-H-O,28.0,AB3C3_mP28_14_e_3e_3e:C-H-O +mp-559232,H2C3O4,-7.0795959656,-1.0509066975,0.2616166085,0.2616166085,GGA,P4_12_12,A3B2C4_tP36_92_ab_b_2b:C-H-O,36.0,"Invalid WP multiplicities - A3B2C4_tP36_92_3a3b_b_7b:C-H-O, expected H2C9O14 to be H2C3O4" +mp-30184,H4C7O,-7.0935523085,-0.1670313636,0.2064777455,0.2064777455,GGA,P2_1/c,A7B4C_mP48_14_7e_4e_e:C-H-O,48.0,"Invalid WP multiplicities - A7B4C_mP48_14_13e_4e_e:C-H-O, expected H4C13O to be H4C7O" +mp-1016871,ZrHgO3,-6.932652042,-2.1943626162,0.3497927405,0.3497927405,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Hg-O-Zr,5.0,AB3C_cP5_221_a_c_b:Hg-O-Zr +mp-1202051,ZrHgH10C6O17,-6.7642354419,-1.5572542279,0.0778705474,0.0778705474,GGA,P2_1/c,A6B10CD17E_mP140_14_6e_10e_e_17e_e:C-H-Hg-O-Zr,140.0,A6B10CD17E_mP140_14_6e_10e_e_17e_e:C-H-Hg-O-Zr +mp-1215581,Zr3HC2,-8.6484419233,-0.7329154367,0.0263349717,0.0263349717,GGA,P-3m1,A2BC3_hP6_164_d_a_bd:C-H-Zr,6.0,A2BC3_hP6_164_d_a_bd:C-H-Zr +mp-1215471,Zr2HC,-8.16197279,-0.7327745906,0.0,-0.0575110663,GGA,P3m1,ABC2_hP4_156_b_a_ac:C-H-Zr,4.0,ABC2_hP4_156_b_a_ac:C-H-Zr +mp-755876,Li2LuPCO7,-7.5992886525,-2.7986565499,0.08619213,0.08619213,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Lu-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-Li-Lu-O-P, expected Li2LuPCO13 to be Li2LuPCO7" +mp-1194756,Na4LuC3O9F,-7.1223005278,-2.4595935533,0.0,-0.0242423912,GGA,Cc,A3BCD4E9_mC144_9_6a_2a_2a_8a_18a:C-F-Lu-Na-O,72.0,A3BCD4E9_mC144_9_6a_2a_2a_8a_18a:C-F-Lu-Na-O +mp-1194897,Na2LuC2O6F,-7.3825958417,-2.6146838978,0.0,-0.0056475041,GGA,C2/c,A2BCD2E6_mC96_15_2f_f_f_2f_6f:C-F-Lu-Na-O,48.0,A2BCD2E6_mC96_15_2f_f_f_2f_6f:C-F-Lu-Na-O +mp-558162,RbP(OF)2,-6.2353987596,-2.8837034368000003,0.0,-0.092618373,GGA,Pnma,A2B2CD_oP24_62_2c_d_c_c:F-O-P-Rb,24.0,"Invalid WP multiplicities - A2B2CD_oP24_62_4c_d_c_c:F-O-P-Rb, expected RbP(OF2)2 to be RbP(OF)2" +mp-25380,CuPO4F,-6.1895044571,-1.7308268873,0.1225834283,0.1225834283,GGA,P-1,ABC4D_aP14_2_be_i_4i_i:Cu-F-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_be_i_8i_i:Cu-F-O-P, expected CuPO8F to be CuPO4F" +mp-1147629,Cu3PF12,-4.7060502981,-2.1655084152,0.0,-0.0499483052,GGA,Im-3m,A3B12C_cI32_229_b_de_a:Cu-F-P,16.0,"Invalid WP multiplicities - A3B12C_cI32_229_b_2de_a:Cu-F-P, expected Cu3PF18 to be Cu3PF12" +mp-1199313,RbCu3P3(O4F3)2,-6.0507042886,-2.2144926173,0.097745466,0.097745466,GGA,C2/c,A3B6C8D3E_mC84_15_cf_3f_4f_ef_e:Cu-F-O-P-Rb,42.0,A3B6C8D3E_mC84_15_af_3f_4f_ef_e:Cu-F-O-P-Rb +mp-504476,Cu2PO4F,-6.2737397597,-1.8599960523,0.0,-0.0023559647,GGA,C2/c,A2BC4D_mC64_15_2f_f_4f_f:Cu-F-O-P,32.0,A2BC4D_mC64_15_2f_f_4f_f:Cu-F-O-P +mp-6160,Rb2PO3F,-6.2048581125,-2.7582987192,0.0,-0.022868268,GGA,Pnma,AB3CD2_oP28_62_c_cd_c_2c:F-O-P-Rb,28.0,AB3CD2_oP28_62_c_cd_c_2c:F-O-P-Rb +mp-1196467,Rb2Cu3P4(O3F)4,-6.4857883248,-2.3690651813,0.0,-0.013550647,GGA,P2_1/c,A3B4C12D4E2_mP50_14_ae_2e_6e_2e_e:Cu-F-O-P-Rb,50.0,A3B4C12D4E2_mP50_14_ae_2e_6e_2e_e:Cu-F-O-P-Rb +mp-1211683,LiSm(C2O5)2,-7.431897412,-1.6188312818,0.5681513811000001,0.5681513811000001,GGA,P2/c,A4BC10D_mP64_13_2e3g_g_10g_g:C-Li-O-Sm,64.0,A4BC10D_mP64_13_2e3g_g_10g_g:C-Li-O-Sm +mp-768193,Li2SmPCO7,-7.5773370192,-2.760235282,0.09932222,0.09932222,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Sm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Sm, expected Li2SmPCO13 to be Li2SmPCO7" +mp-1199215,LiSm(PO3)4,-7.7974014519,-2.9284579206,0.0,-0.0168933512,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sm,36.0,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Sm +mp-556386,KNa3WO5,-6.402548342,-2.1255934806,0.0038859751,0.0038859751,GGA+U,C2/m,AB3C5D_mC40_12_g_ij_3ij_i:K-Na-O-W,20.0,"Invalid WP multiplicities - AB3C5D_mC40_12_g_2i2j_5i3j_i:K-Na-O-W, expected KNa6WO11 to be KNa3WO5" +mp-1200820,K6Na2Pt(WO6)6,-6.4426598365,-1.1248529233,0.5329929232,0.5329929232,GGA+U,R-3m,A6B2C36DE6_hR153_166_h_c_4hi_a_f:K-Na-O-Pt-W,51.0,A6B2C36DE6_hR153_166_h_c_4hi_a_f:K-Na-O-Pt-W +mp-17636,K3Na(WO4)2,-7.2552056664,-2.2449562175,0.0076328743,0.0076328743,GGA+U,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:K-Na-O-W,28.0,A3BC8D2_mC56_15_ef_c_4f_f:K-Na-O-W +mp-1212159,KNa3W2O17,-5.5235236937,-0.5197000685000001,0.8386752268000001,0.8386752268000001,GGA+U,P6_3/m,AB3C17D2_hP46_176_a_h_fh2i_f:K-Na-O-W,46.0,AB3C17D2_hP46_176_a_h_fh2i_f:K-Na-O-W +mp-1099945,KNaW2O5,-7.7038562803,-1.805786474,0.2837252221,0.2837252221,GGA+U,P1,ABC5D2_aP144_1_16a_16a_80a_32a:K-Na-O-W,144.0,ABC5D2_aP144_1_16a_16a_80a_32a:K-Na-O-W +mp-1516548,KNa(WO3)4,-8.4942284539,-2.1816890264,0.0387354804,0.0387354804,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:K-Na-O-W,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:K-Na-O-W, expected KNa(WO4)4 to be KNa(WO3)4" +mp-1202150,ThH4(C2O5)2,-7.53765764,-1.8867991393,0.0464289983,0.0464289983,GGA,C2/c,A4B4C10D_mC76_15_2f_2f_5f_e:C-H-O-Th,38.0,A4B4C10D_mC76_15_2f_2f_5f_e:C-H-O-Th +mp-1210530,Na3H7(CO3)2,-5.2078315867,-0.9937137285,0.4327592472,0.4327592472,GGA,C2/c,A2B7C3D6_mC72_15_f_a3f_ef_3f:C-H-Na-O,36.0,A2B7C3D6_mC72_15_f_c3f_ef_3f:C-H-Na-O +mp-555083,Na3H5(CO2)4,-6.3274544205,-1.4564855322,0.1083963791,0.1083963791,GGA,P-1,A4B5C3D8_aP20_2_2i_b2i_ei_4i:C-H-Na-O,20.0,"Invalid WP multiplicities - A4B5C3D8_aP20_2_4i_b4i_e2i_7i:C-H-Na-O, expected Na5H9(C4O7)2 to be Na3H5(CO2)4" +mp-1204724,ThH8(CO3)4,-6.967667135,-1.7344434104,0.0425029391,0.0425029391,GGA,C2/c,A4B8C12D_mC100_15_2f_4f_6f_e:C-H-O-Th,50.0,A4B8C12D_mC100_15_2f_4f_6f_e:C-H-O-Th +mp-1210505,Na2H(CO2)2,-6.2596635689,-1.3394566287,0.4249018273,0.4249018273,GGA,P2_12_12,A2BC2D4_oP18_18_c_a_c_2c:C-H-Na-O,18.0,A2BC2D4_oP18_18_c_a_c_2c:C-H-Na-O +mp-696396,NaHCO3,-6.6516119804,-1.8542814863,0.0,-0.019184557,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-H-Na-O,24.0,ABCD3_mP24_14_e_e_e_3e:C-H-Na-O +mp-1192213,NaHCO3,-6.09105432,-1.2937238259,0.5605576604,0.5413731034,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-H-Na-O,24.0,ABCD3_mP24_14_e_e_e_3e:C-H-Na-O +mp-699317,Na2H6C4O7,-6.2471990655,-1.2712574968,0.1493036708,0.1493036708,GGA,C2/c,A4B6C2D7_mC76_15_2f_3f_f_e3f:C-H-Na-O,38.0,A4B6C2D7_mC76_15_2f_3f_f_e3f:C-H-Na-O +mp-1191547,NaH5CO4,-5.6894552527,-1.3893119931,0.0511845729,0.0511845729,GGA,P2_1,AB5CD4_mP22_4_a_5a_a_4a:C-H-Na-O,22.0,AB5CD4_mP22_4_a_5a_a_4a:C-H-Na-O +mp-708984,NaH5CO4,-5.6883714343000005,-1.3882281747,0.0522683913,0.0522683913,GGA,Cmce,AB5CD4_oC88_64_f_3fg_d_e3f:C-H-Na-O,44.0,AB5CD4_oC88_64_f_3fg_d_e3f:C-H-Na-O +mp-1001112,Na2H3CO6,-5.5688020345,-1.2577998277,0.2613132754,0.2613132754,GGA,Pbca,AB3C2D6_oP96_61_c_3c_2c_6c:C-H-Na-O,96.0,AB3C2D6_oP96_61_c_3c_2c_6c:C-H-Na-O +mp-738668,NaH3(CO2)2,-6.3465650477,-1.3720861218,0.1250989761,0.1250989761,GGA,P-1,A2B3CD4_aP60_2_6i_bd8i_3i_12i:C-H-Na-O,60.0,A2B3CD4_aP60_2_6i_bd8i_3i_12i:C-H-Na-O +mp-23684,NaHCO2,-6.310594349,-1.5431354983,0.0874921223,0.0874921223,GGA,C2/c,ABCD2_mC20_15_e_e_e_f:C-H-Na-O,10.0,ABCD2_mC20_15_e_e_e_f:C-H-Na-O +mp-1193570,NaH3C4O5,-6.7691850538,-1.1423535958,0.2135977024,0.2135977024,GGA,Pc,A4B3CD5_mP26_7_4a_3a_a_5a:C-H-Na-O,26.0,A4B3CD5_mP26_7_4a_3a_a_5a:C-H-Na-O +mp-1221305,Na3H5(CO4)2,-6.1234502519,-1.7366698753,0.002087804,0.002087804,GGA,C2,A2B5C3D8_mC72_5_2c_5c_ab2c_8c:C-H-Na-O,36.0,A2B5C3D8_mC72_5_2c_5c_ab2c_8c:C-H-Na-O +mp-23852,Na3H5(CO4)2,-6.1243057731,-1.7375253964,0.0012322829,0.0012322829,GGA,C2/c,A2B5C3D8_mC72_15_f_a2f_ef_4f:C-H-Na-O,36.0,"Invalid WP multiplicities - A2B5C3D8_mC72_15_f_2c3f_ef_9f:C-H-Na-O, expected Na3H8(CO9)2 to be Na3H5(CO4)2" +mp-699482,Na2H20CO13,-5.4013041886,-1.4003266823,0.0141659498,0.0141659498,GGA,Cc,AB20C2D13_mC144_9_a_20a_2a_13a:C-H-Na-O,72.0,AB20C2D13_mC144_9_a_20a_2a_13a:C-H-Na-O +mp-1198167,Na2H14CO10,-5.471777924,-1.4407124491,0.017926387,0.017926387,GGA,Pbca,AB14C2D10_oP216_61_c_14c_2c_10c:C-H-Na-O,216.0,AB14C2D10_oP216_61_c_14c_2c_10c:C-H-Na-O +mp-730460,Na5H3(CO3)4,-6.6233935471,-1.9123214176,0.0,-0.0024388802,GGA,P-1,A4B3C5D12_aP48_2_4i_ac2i_5i_12i:C-H-Na-O,48.0,A4B3C5D12_aP48_2_4i_ac2i_5i_12i:C-H-Na-O +mp-721312,Na2H2CO4,-6.0814593769,-1.8096901531,0.0021183142,0.0021183142,GGA,Pca2_1,AB2C2D4_oP36_29_a_2a_2a_4a:C-H-Na-O,36.0,AB2C2D4_oP36_29_a_2a_2a_4a:C-H-Na-O +mp-696174,NaH3C2O5,-6.5121602173,-1.5402076746,0.0622802233,0.0622802233,GGA,P-1,A2B3CD5_aP22_2_2i_3i_i_5i:C-H-Na-O,22.0,A2B3CD5_aP22_2_2i_3i_i_5i:C-H-Na-O +mp-1235281,LiTl6C2(O3F)2,-5.5639513871,-1.5612923909,0.0988886867,0.0988886867,GGA,P1,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Li-O-Tl,17.0,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Li-O-Tl +mp-1235838,LiTl6C2(O3F)2,-5.5743557935,-1.5716967974,0.0884842802,0.0884842802,GGA,P1,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Li-O-Tl,17.0,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Li-O-Tl +mp-1204247,LiC4OF9,-5.9341227738,-1.8692171568,0.1851928051,0.1851928051,GGA,P2_1/c,A4B9CD_mP240_14_16e_36e_4e_4e:C-F-Li-O,240.0,A4B9CD_mP240_14_16e_36e_4e_4e:C-F-Li-O +mp-555013,Tl3CO3F,-5.7407846088,-1.6072671045,0.0067832678,0.0067832678,GGA,P2_1/m,ABC3D3_mP16_11_e_a_3e_3e:C-F-O-Tl,16.0,ABC3D3_hP16_176_c_b_h_h:C-F-O-Tl +mp-1202276,LaH6CO7,-6.2686915,-1.6588348436,0.1617455856,0.1617455856,GGA,P2_1/c,AB6CD7_mP60_14_e_6e_e_7e:C-H-La-O,60.0,AB6CD7_mP60_14_e_6e_e_7e:C-H-La-O +mp-1202653,LaH15C5Br3O5,-5.1084487134,-0.5786985827000001,0.48214984,0.48214984,GGA,Pna2_1,A3B5C15DE5_oP116_33_3a_5a_15a_a_5a:Br-C-H-La-O,116.0,A3B5C15DE5_oP116_33_3a_5a_15a_a_5a:Br-C-H-La-O +mp-696944,LaHBr2,-4.8325340163,-1.9738365638,0.0,-0.0830352679,GGA,P6_3/mmc,A2BC_hP8_194_f_c_b:Br-H-La,8.0,A2BC_hP8_194_f_c_b:Br-H-La +mp-642729,LaH3(CO2)3,-7.3537342608,-1.7783254927,0.0828267568,0.0828267568,GGA,R3m,A3B3CD6_hR39_160_b_b_a_2b:C-H-La-O,13.0,A3B3CD6_hR39_160_b_b_a_2b:C-H-La-O +mp-1209379,RbCOF3,-5.8028614358,-2.3211405727,0.0,-0.0108440842,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:C-F-O-Rb,24.0,AB3CD_mP24_14_e_3e_e_e:C-F-O-Rb +mp-8774,Rb3CO3F,-5.8885139356,-2.2732873342,0.0094049075,0.0094049075,GGA,R-3c,ABC3D3_hR48_167_a_b_e_e:C-F-O-Rb,16.0,ABC3D3_hR48_167_a_b_e_e:C-F-O-Rb +mp-6246,Ca2CO3F2,-7.2243881016,-3.2365269364,0.0280605147,0.0280605147,GGA,Pbcn,AB2C2D3_oP32_60_c_d_d_cd:C-Ca-F-O,32.0,"Invalid WP multiplicities - AB2C2D3_oP32_60_c_d_d_c2d:C-Ca-F-O, expected Ca2CO5F2 to be Ca2CO3F2" +mp-861440,RbCaCO3F,-6.9320349319000005,-2.793985711,0.0,-0.0324359502,GGA,P-62m,ABCD3E_hP21_189_ac_f_g_fj_g:C-Ca-F-O-Rb,21.0,"Invalid WP multiplicities - ABCD3E_hP21_189_a2c_f_g_fj_g:C-Ca-F-O-Rb, expected Rb3Ca3C5(O3F)3 to be RbCaCO3F" +mp-1200865,CuH6C2O7,-6.1321272217,-1.2858950402,0.0991393206,0.0991393206,GGA,Pcca,A2BC6D7_oP64_54_f_d_3f_c3f:C-Cu-H-O,64.0,A2BC6D7_oP64_54_f_d_3f_c3f:C-Cu-H-O +mp-1193268,Cu3H2(CO4)2,-6.475938917,-1.3350113987,0.0069094138,0.0069094138,GGA,P2_1,A2B3C2D8_mP30_4_2a_3a_2a_8a:C-Cu-H-O,30.0,A2B3C2D8_mP30_14_e_ae_e_4e:C-Cu-H-O +mp-23733,Cu3H2(CO4)2,-6.4779782087,-1.3370506903,0.0048701222,0.0048701222,GGA,P2_1/c,A2B3C2D8_mP30_14_e_ae_e_4e:C-Cu-H-O,30.0,"Invalid WP multiplicities - A2B3C2D8_mP30_14_e_ae_e_5e:C-Cu-H-O, expected Cu3H2(CO5)2 to be Cu3H2(CO4)2" +mp-558144,CuH10(CO4)2,-5.7722384219,-1.1980809079,0.0970313778,0.0970313778,GGA,P2_1/c,A2BC10D8_mP84_14_2e_ad_10e_8e:C-Cu-H-O,84.0,"Invalid WP multiplicities - A2BC10D8_mP84_14_5e_ab_37e_29e:C-Cu-H-O, expected CuH37C5O29 to be CuH10(CO4)2" +mp-504588,Cu2H2CO5,-6.1548300283,-1.2602325804,0.032859241,0.032859241,GGA,P2_1/c,AB2C2D5_mP40_14_e_2e_2e_5e:C-Cu-H-O,40.0,AB2C2D5_mP40_14_e_2e_2e_5e:C-Cu-H-O +mp-769935,CuHCO4,-6.5134824038,-1.2981462535,0.0445210735,0.0445210735,GGA,P6_3/m,ABCD4_hP42_176_h_g_h_2hi:C-Cu-H-O,42.0,"Invalid WP multiplicities - ABCD4_hP42_176_h_g_h_11h4i:C-Cu-H-O, expected CuHCO19 to be CuHCO4" +mp-557143,Tl2Cu(CO3)2,-6.6644248923,-1.4860652363,0.0,-0.0154579527,GGA,P2_1/c,A2BC6D2_mP44_14_2e_e_6e_2e:C-Cu-O-Tl,44.0,"Invalid WP multiplicities - A2BC6D2_mP44_14_3e_e_20e_6e:C-Cu-O-Tl, expected Tl6CuC3O20 to be Tl2Cu(CO3)2" +mp-600167,CuH6(CO2)4,-6.444662147,-1.1318340101,0.1742747094,0.1742747094,GGA,Pbca,A4BC6D8_oP76_61_2c_a_3c_4c:C-Cu-H-O,76.0,"Invalid WP multiplicities - A4BC6D8_oP76_61_6c_a_15c_21c:C-Cu-H-O, expected CuH30(C2O7)6 to be CuH6(CO2)4" +mp-1182715,CuH6(CO2)4,-6.4239940201,-1.1111658833,0.1949428363,0.1949428363,GGA,Pbca,A4BC6D8_oP76_61_2c_a_3c_4c:C-Cu-H-O,76.0,"Invalid WP multiplicities - A4BC6D8_oP76_61_6c_a_15c_21c:C-Cu-H-O, expected CuH30(C2O7)6 to be CuH6(CO2)4" +mp-733590,TlCuHCO4,-6.2077675202,-1.3490179953,0.0309658696,0.0309658696,GGA,P6_3/m,ABCD4E_hP48_176_h_g_h_2hi_h:C-Cu-H-O-Tl,48.0,ABCD4E_hP48_176_h_g_h_2hi_h:C-Cu-H-O-Tl +mp-1204488,Cu3H10(C4O7)2,-6.4039469524,-0.9951513422,0.2371473259,0.2371473259,GGA,P2_1/c,A8B3C10D14_mP70_14_4e_ae_5e_7e:C-Cu-H-O,70.0,A8B3C10D14_mP70_14_4e_ae_5e_7e:C-Cu-H-O +mp-643934,CuH2(CO2)2,-6.5388767289,-1.08012733,0.232395976,0.232395976,GGA,P2_1/c,A2BC2D4_mP18_14_e_a_e_2e:C-Cu-H-O,18.0,A2BC2D4_mP18_14_e_a_e_2e:C-Cu-H-O +mp-655052,CuH2(CO2)2,-6.4456185553,-0.9868691564,0.3256541496,0.3256541496,GGA,Pbca,A2BC2D4_oP72_61_2c_c_2c_4c:C-Cu-H-O,72.0,"Invalid WP multiplicities - A2BC2D4_oP72_61_7c_c_6c_26c:C-Cu-H-O, expected CuH6C7O26 to be CuH2(CO2)2" +mp-601287,CuH2(CO2)2,-6.4222487849,-0.963499386,0.34902392,0.34902392,GGA,Pbca,A2BC2D4_oP72_61_2c_c_2c_4c:C-Cu-H-O,72.0,"Invalid WP multiplicities - A2BC2D4_oP72_61_7c_c_6c_26c:C-Cu-H-O, expected CuH6C7O26 to be CuH2(CO2)2" +mp-1201042,CuH2(CO2)2,-6.5628625622,-1.1041131633,0.2084101426,0.2084101426,GGA,Pbca,A2BC2D4_oP72_61_2c_c_2c_4c:C-Cu-H-O,72.0,A2BC2D4_oP72_61_2c_c_2c_4c:C-Cu-H-O +mp-1194779,CuH3C3O4,-6.5507533686,-0.9371046298,0.1908983553,0.1908983553,GGA,P2_1/c,A3BC3D4_mP88_14_6e_2e_6e_8e:C-Cu-H-O,88.0,A3BC3D4_mP88_14_6e_2e_6e_8e:C-Cu-H-O +mp-1192779,Cu2H4CO5,-5.7254253767000005,-1.0811398293,0.1637055479,0.1637055479,GGA,P2_1,AB2C4D5_mP24_4_a_2a_4a_5a:C-Cu-H-O,24.0,AB2C4D5_mP24_4_a_2a_4a_5a:C-Cu-H-O +mp-558579,TlHCO2,-6.157612079,-1.1821296577,0.100365163,0.100365163,GGA,Pna2_1,ABC2D_oP20_33_a_a_2a_a:C-H-O-Tl,20.0,ABC2D_oP20_33_a_a_2a_a:C-H-O-Tl +mp-557687,TlHCO2,-6.1576021755,-1.1821197542,0.1003750665,0.1003750665,GGA,Pnna,ABC2D_oP20_52_d_d_e_c:C-H-O-Tl,20.0,ABC2D_oP20_52_d_d_e_c:C-H-O-Tl +mp-542176,CuH8C4O5,-6.0032968939,-0.8427901963000001,0.1594411449,0.1594411449,GGA,C2/c,A4BC8D5_mC144_15_4f_f_8f_5f:C-Cu-H-O,72.0,A4BC8D5_mC144_15_4f_f_8f_5f:C-Cu-H-O +mp-1195442,TlH(CO2)2,-6.9196180369,-1.4196861592,0.0457520781,0.0457520781,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:C-H-O-Tl,32.0,A2BC4D_mP32_14_2e_e_4e_e:C-H-O-Tl +mp-1221801,Na2H12SO11,-5.3018036494,-1.3822733103,0.100709552,0.100709552,GGA,Fdd2,A12B2C11D_oF208_43_6b_b_a5b_a:H-Na-O-S,52.0,"Invalid WP multiplicities - A12B2C11D_oF208_43_20b_b_a8b_a:H-Na-O-S, expected Na2H40SO17 to be Na2H12SO11" +mp-1200782,Na2H16SO12,-5.3480697931,-1.4633800605,0.0285515053,0.0285515053,GGA,P-1,A16B2C12D_aP62_2_16i_bdi_12i_i:H-Na-O-S,62.0,A16B2C12D_aP62_2_16i_bdi_12i_i:H-Na-O-S +mp-1180434,Na2H18SO9,-5.0159248983,-1.2702326427,0.0067560408,0.0067560408,GGA,P4_322,A18B2C9D_tP120_95_9d_ab_c4d_a:H-Na-O-S,120.0,A18B2C9D_tP120_95_9d_ab_c4d_a:H-Na-O-S +mp-1204006,Na8H10S8O17,-5.3286095781,-1.5683126054,0.0977399473,0.0977399473,GGA,P2_1/c,A10B8C17D8_mP172_14_10e_8e_17e_8e:H-Na-O-S,172.0,A10B8C17D8_mP172_14_10e_8e_17e_8e:H-Na-O-S +mp-24029,Na2H10SO5,-4.9080966969,-1.2724186714,0.001193121,0.001193121,GGA,Cmcm,A10B2C5D_oC72_63_g2h_ac_ch_c:H-Na-O-S,36.0,"Invalid WP multiplicities - A10B2C5D_oC72_63_2g5h_2ac_ch_c:H-Na-O-S, expected Na3H24SO5 to be Na2H10SO5" +mp-734160,NaH5(SO4)3,-5.2729790307,-0.9846090472,0.6761297723,0.6761297723,GGA,P-1,A5BC12D3_aP42_2_5i_i_12i_3i:H-Na-O-S,42.0,A5BC12D3_aP42_2_5i_i_12i_3i:H-Na-O-S +mp-707941,Na3H(SO4)2,-6.0107012166,-2.0673646917,0.0019804154,-0.0090358839,GGA,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:H-Na-O-S,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:H-Na-O-S +mp-23780,Na3H(SO4)2,-6.012681632,-2.069345107,0.0,-0.0110162993,GGA,P2_1/c,AB3C8D2_mP56_14_e_ad2e_8e_2e:H-Na-O-S,56.0,AB3C8D2_mP56_14_e_ab2e_8e_2e:H-Na-O-S +mp-721314,NaH2SO4,-5.7271755078,-1.7232777459,0.0373520309,0.0373520309,GGA,Pnma,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Na-O-S,64.0,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Na-O-S +mp-706679,NaH2SO4,-5.5931905097,-1.5892927478,0.171337029,0.171337029,GGA,Pnma,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Na-O-S,64.0,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Na-O-S +mp-1190311,NaH2(SO2)2,-5.5381622961,-1.5195365225000002,0.0454677235,0.0454677235,GGA,C2,A2BC4D2_mC36_5_2c_c_4c_2c:H-Na-O-S,18.0,A2BC4D2_mC36_5_2c_c_4c_2c:H-Na-O-S +mp-707470,Na2H4(SO4)3,-5.9754648596,-1.7856758643,0.0,-0.0018594721,GGA,Pna2_1,A4B2C12D3_oP84_33_4a_2a_12a_3a:H-Na-O-S,84.0,A4B2C12D3_oP84_33_4a_2a_12a_3a:H-Na-O-S +mp-540554,NaH5SO4,-5.2514634111,-1.4142488447,0.0554408222,0.0554408222,GGA,P2_1/c,A5BC4D_mP88_14_10e_2e_8e_2e:H-Na-O-S,88.0,A5BC4D_mP88_14_10e_2e_8e_2e:H-Na-O-S +mp-733973,NaH5S2O9,-5.2927920771,-1.1116595092,0.542544435,0.542544435,GGA,P2_1/c,A5BC9D2_mP68_14_5e_e_9e_2e:H-Na-O-S,68.0,A5BC9D2_mP68_14_5e_e_9e_2e:H-Na-O-S +mp-634378,NaHSO4,-5.9963539011,-1.9051458939,0.0,-0.005971923,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:H-Na-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:H-Na-O-S +mp-696347,NaH3SO5,-5.751250523,-1.7141908378,0.0076946383,0.0076946383,GGA,Cc,A3BC5D_mC40_9_3a_a_5a_a:H-Na-O-S,20.0,A3BC5D_mC40_9_3a_a_5a_a:H-Na-O-S +mp-634657,NaHS,-3.7939481867,-0.8433811182000001,0.0,-0.0694600633,GGA,P2_1/m,ABC_mP6_11_e_e_e:H-Na-S,6.0,ABC_mP6_11_e_e_e:H-Na-S +mp-36582,NaHS,-3.7920929933,-0.8415259249,0.0018551933,-0.06760487,GGA,R3m,ABC_hR9_160_a_a_a:H-Na-S,3.0,ABC_hR9_160_a_a_a:H-Na-S +mp-707251,CdH6(SO4)4,-5.5370187561,-1.2047200569,0.3989673308,0.3989673308,GGA,P2_1/c,AB6C16D4_mP54_14_a_3e_8e_2e:Cd-H-O-S,54.0,AB6C16D4_mP54_14_a_3e_8e_2e:Cd-H-O-S +mp-698056,Na2CdH4(SO5)2,-5.7401615155,-1.7991809169,0.0032245126,0.0032245126,GGA,P2_1/c,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cd-H-Na-O-S,38.0,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cd-H-Na-O-S +mp-558198,Na2Cd(SO4)2,-5.994175095,-2.0392251126,0.0,-0.0030540235,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Cd-Na-O-S,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_14f_f:Cd-Na-O-S, expected Na2Cd(SO14)2 to be Na2Cd(SO4)2" +mp-722381,CdH4S2O5,-5.2599704367,-1.3016256675,0.0872403479,0.0872403479,GGA,P2_1/c,AB4C5D2_mP48_14_e_4e_5e_2e:Cd-H-O-S,48.0,AB4C5D2_mP48_14_e_4e_5e_2e:Cd-H-O-S +mp-756998,CdH2(SO4)2,-5.9433481854,-1.6699057797,0.0046553416,0.0046553416,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Cd-H-O-S,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_14_e_3e_23e_7e:Cd-H-O-S, expected CdH3S7O23 to be CdH2(SO4)2" +mp-558011,Cd2H2SO6,-5.4967802591,-1.6378881005,0.0,-0.033374058,GGA,P2_1/c,A2B2C6D_mP44_14_2e_2e_6e_e:Cd-H-O-S,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_14_4e_3e_21e_e:Cd-H-O-S, expected Cd4H3SO21 to be Cd2H2SO6" +mp-634113,Cd2H2SO6,-5.4936692782,-1.6347771196,0.0031109809,-0.030263077,GGA,C2/c,A2B2C6D_mC44_15_f_f_3f_e:Cd-H-O-S,22.0,A2B2C6D_mC44_15_f_f_3f_e:Cd-H-O-S +mp-1214032,Cd3H8(SO4)3,-4.4295898938,-0.5188171332,0.9926414025,0.9926414025,GGA,C2/c,A3B8C12D3_mC104_15_ef_4f_6f_ef:Cd-H-O-S,52.0,A3B8C12D3_mC104_15_ef_4f_6f_ef:Cd-H-O-S +mp-1194602,CdH2SO5,-5.7219104803,-1.6576621166,0.0,-0.0092394311,GGA,P2_1/c,AB2C5D_mP36_14_e_2e_5e_e:Cd-H-O-S,36.0,AB2C5D_mP36_14_e_2e_5e_e:Cd-H-O-S +mp-707120,BaP2(HO4)2,-6.8082050971,-2.2617018869,0.1121641077,0.1121641077,GGA,Pccn,AB2C8D2_oP52_56_c_e_4e_e:Ba-H-O-P,52.0,AB2C8D2_oP52_56_c_e_4e_e:Ba-H-O-P +mp-505551,InPH2O5,-6.4862572756,-2.0769370663,0.0003501582,0.0003501582,GGA,P-1,A2BC5D_aP18_2_2i_i_5i_i:H-In-O-P,18.0,A2BC5D_aP18_2_2i_i_5i_i:H-In-O-P +mp-1104568,Ba9In4H,-2.5966270979,-0.3344674246,0.0,-0.0084020611,GGA,I4/m,A9BC4_tI28_87_a2h_b_h:Ba-H-In,14.0,A9BC4_tI28_87_a2h_b_h:Ba-H-In +mp-740719,Ba3In2(HO)12,-5.6620475939,-1.8229693403,0.0,-0.0071031137,GGA,Ia-3d,A3B12C2D12_cI232_230_c_h_a_h:Ba-H-In-O,116.0,A3B12C2D12_cI232_230_c_h_a_h:Ba-H-In-O +mp-706543,BaP2(HO2)4,-6.6655413297,-2.2728750748,0.052452149,0.0407030529,GGA,P-1,AB4C8D2_aP30_2_i_ad3i_8i_2i:Ba-H-O-P,30.0,AB4C8D2_aP30_2_i_ad3i_8i_2i:Ba-H-O-P +mp-706400,BaP2(HO2)4,-6.7179934787,-2.3253272238,0.0,-0.0117490961,GGA,Pccn,AB4C8D2_oP60_56_c_2e_4e_e:Ba-H-O-P,60.0,AB4C8D2_oP60_56_c_2e_4e_e:Ba-H-O-P +mp-1214602,BaP2(HO)2,-5.5690006261,-1.3655135595,0.2673174891,0.2673174891,GGA,Ccce,AB2C2D2_oC56_68_c_i_i_i:Ba-H-O-P,28.0,AB2C2D2_oC56_68_c_i_i_i:Ba-H-O-P +mp-1214662,BaP2(HO3)2,-6.4746914491,-2.000949239,0.4733696218,0.4733696218,GGA,P-1,AB2C6D2_aP66_2_3i_6i_18i_6i:Ba-H-O-P,66.0,AB2C6D2_aP66_2_3i_6i_18i_6i:Ba-H-O-P +mp-606312,InP3(HO5)2,-6.9563041266,-2.2535584733,0.063987743,0.063987743,GGA,P2_1/c,A2BC10D3_mP64_14_2e_e_10e_3e:H-In-O-P,64.0,"Invalid WP multiplicities - A2BC10D3_mP64_14_6e_e_40e_9e:H-In-O-P, expected InP9(H3O20)2 to be InP3(HO5)2" +mp-1212229,In2P3H3O10,-6.2745901258,-1.7530156688,0.3362562576,0.3362562576,GGA,P2_1,A3B2C10D3_mP36_4_3a_2a_10a_3a:H-In-O-P,36.0,A3B2C10D3_mP36_4_3a_2a_10a_3a:H-In-O-P +mp-642646,BaP2(HO)4,-6.0059569586,-1.8147534152,0.0,-0.0277704713,GGA,Ccce,AB4C4D2_oC44_68_a_i_i_e:Ba-H-O-P,22.0,AB4C4D2_oC44_68_a_i_i_e:Ba-H-O-P +mp-766835,InP(H2O3)2,-6.1636498506,-1.8789812936,0.0,-0.0007649887,GGA,P2_1/c,A4BC6D_mP48_14_4e_e_6e_e:H-In-O-P,48.0,"Invalid WP multiplicities - A4BC6D_mP48_14_13e_e_21e_e:H-In-O-P, expected InPH13O21 to be InP(H2O3)2" +mp-707473,InP(H2O3)2,-6.1605735639,-1.8759050068,0.0030762868,0.002311298,GGA,Pbca,A4BC6D_oP96_61_4c_c_6c_c:H-In-O-P,96.0,A4BC6D_oP96_61_4c_c_6c_c:H-In-O-P +mp-1195167,Ba3In2P6(HO3)6,-6.7352109406,-2.3598720722,0.0,-0.0092198594,GGA,R-3,A3B6C2D18E6_hR210_148_f_2f_ae_6f_2f:Ba-H-In-O-P,70.0,A3B6C2D18E6_hR210_148_f_2f_ae_6f_2f:Ba-H-In-O-P +mp-1196723,Ba2P4H6O13,-6.3190224954,-1.9128437185,0.422743254,0.422743254,GGA,P2_1/c,A2B6C13D4_mP100_14_2e_6e_13e_4e:Ba-H-O-P,100.0,A2B6C13D4_mP100_14_2e_6e_13e_4e:Ba-H-O-P +mp-1228292,BaPHO4,-7.139063135,-2.7802405155,0.0278755391,0.0278755391,GGA,Cm,ABC4D_mC112_8_2a3b_2a3b_4a14b_2a3b:Ba-H-O-P,56.0,"Invalid WP multiplicities - ABC4D_mC112_8_2a4b_2a4b_4a21b_2a4b:Ba-H-O-P, expected Ba5P5H5O23 to be BaPHO4" +mp-698163,BaPHO4,-7.165453174,-2.8066305545,0.0014855001,0.0014855001,GGA,Pnma,ABC4D_oP84_62_cd_cd_2c5d_cd:Ba-H-O-P,84.0,ABC4D_oP84_62_cd_cd_2c5d_cd:Ba-H-O-P +mp-6455,NaNd(SO4)2,-7.0171519346,-2.5223950888,0.0,-0.0205463279,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Na-Nd-O-S,24.0,ABC8D2_aP24_2_i_i_8i_2i:Na-Nd-O-S +mp-866078,NaNd(SO4)2,-7.0040999817,-2.5093431359,0.0130519529,-0.007494375,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Na-Nd-O-S,24.0,ABC8D2_aP24_2_i_i_8i_2i:Na-Nd-O-S +mp-1203000,NdH11S3O16,-6.0691886145,-1.7580756175,0.0,-0.0067879982,GGA,P2_1/c,A11BC16D3_mP124_14_11e_e_16e_3e:H-Nd-O-S,124.0,A11BC16D3_mP124_14_11e_e_16e_3e:H-Nd-O-S +mp-560799,NaNdH2S2O9,-6.6535284344,-2.2755802377,0.0,-0.0012533626,GGA,P3_121,A2BCD9E2_hP45_152_c_b_a_a4c_c:H-Na-Nd-O-S,45.0,"Invalid WP multiplicities - A2BCD9E2_hP45_152_c_b_a_2a18c_c:H-Na-Nd-O-S, expected NaNdH2(SO19)2 to be NaNdH2S2O9" +mp-23831,NdHSO5,-7.1528463259,-2.5240004634,0.0,-0.0222730541,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:H-Nd-O-S,32.0,ABC5D_mP32_14_e_e_5e_e:H-Nd-O-S +mp-1198579,NdH3S2O9,-6.6011221802,-2.0851606,0.0281645798,0.0281645798,GGA,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_2e:H-Nd-O-S,60.0,A3BC9D2_mP60_14_3e_e_9e_2e:H-Nd-O-S +mp-757886,NdHS3O11,-6.8538529217,-2.1673654904,0.0,-0.0441883846,GGA,P2_1/c,ABC11D3_mP64_14_e_e_11e_3e:H-Nd-O-S,64.0,"Invalid WP multiplicities - ABC11D3_mP64_14_e_e_43e_7e:H-Nd-O-S, expected NdHS7O43 to be NdHS3O11" +mp-24445,Nd2H16S3O20,-6.1074818978,-1.8352127414,0.0021795683,0.0021795683,GGA,C2/c,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Nd-O-S,82.0,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Nd-O-S +mp-1213953,CoH4SO6,-6.0096400979,-1.4683230888,0.0610029442,0.0610029442,GGA+U,Cmc2_1,AB4C6D_oC144_36_ab_2a5b_4a7b_ab:Co-H-O-S,,AB4C6D_oC144_36_ab_2a5b_4a7b_ab:Co-H-O-S +mp-1180145,NiH12SO9,-4.7584258274,-0.621491154,0.7397904779000001,0.7397904779000001,GGA+U,P1,A12BC9D_aP23_1_12a_a_9a_a:H-Ni-O-S,23.0,A12BC9D_aP23_1_12a_a_9a_a:H-Ni-O-S +mp-756977,NiH12SO9,-5.4638874596,-1.3269527862,0.0343288457,0.0343288457,GGA+U,R3,A12BC9D_hR69_146_4b_a_3b_a:H-Ni-O-S,92.0,A12BC9D_hR69_146_4b_a_3b_a:H-Ni-O-S +mp-643547,CoH2SO5,-6.3632681825,-1.6117500372,0.0,-0.0229021281,GGA+U,C2/c,AB2C5D_mC36_15_c_f_e2f_e:Co-H-O-S,36.0,AB2C5D_mC36_15_c_f_e2f_e:Co-H-O-S +mp-728646,CoH8SO8,-5.7143361004,-1.3832202275,0.0636818012,0.0636818012,GGA+U,P2_1/c,AB8C8D_mP72_14_e_8e_8e_e:Co-H-O-S,72.0,AB8C8D_mP72_14_e_8e_8e_e:Co-H-O-S +mp-746820,NiH6(SO6)2,-5.4921533738,-1.0269316015,0.3631351171,0.3631351171,GGA+U,P-1,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S,21.0,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S +mp-1180191,NiH6(SO6)2,-5.4895275219,-1.0243057496,0.365760969,0.365760969,GGA+U,P-1,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S,21.0,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S +mp-1237060,NiH6(SO6)2,-5.4897290571,-1.0245072848,0.3655594338,0.3655594338,GGA+U,P-1,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S,21.0,A6BC12D2_aP21_2_3i_a_6i_i:H-Ni-O-S +mp-695883,CoH12SO10,-5.6210578166000005,-1.3950425118,0.0106475149,0.0106475149,GGA+U,C2/c,AB12C10D_mC192_15_ae_12f_10f_f:Co-H-O-S,96.0,AB12C10D_mC192_15_ce_12f_10f_f:Co-H-O-S +mp-745190,CoH12SO10,-5.5636888797,-1.3376735749,0.0680164518,0.0680164518,GGA+U,C2/c,AB12C10D_mC192_15_ae_12f_10f_f:Co-H-O-S,96.0,AB12C10D_mC192_15_ae_12f_10f_f:Co-H-O-S +mp-1210679,Ni3H6SO3,-4.5565827969,-0.1970995423,0.800443624,0.800443624,GGA+U,P1,A6B3C3D_aP13_1_6a_3a_3a_a:H-Ni-O-S,13.0,A6B3C3D_aP13_1_6a_3a_3a_a:H-Ni-O-S +mp-1237012,Ni3H6SO3,-4.6093065615,-0.2498233069,0.7477198594000001,0.7477198594000001,GGA+U,P1,A6B3C3D_aP13_1_6a_3a_3a_a:H-Ni-O-S,13.0,A6B3C3D_aP13_1_6a_3a_3a_a:H-Ni-O-S +mp-510223,CoNiH24(SO10)2,-5.5938096245,-1.3954647596,0.0081462038,0.0081462038,GGA+U,C2/c,AB24CD20E2_mC192_15_a_12f_e_10f_f:Co-H-Ni-O-S,96.0,AB24CD20E2_mC192_15_a_12f_e_10f_f:Co-H-Ni-O-S +mp-23877,NiH14SO11,-5.524301039,-1.3825111501,0.0057454301,0.0057454301,GGA+U,P2_12_12_1,A14BC11D_oP108_19_14a_a_11a_a:H-Ni-O-S,108.0,"Invalid WP multiplicities - A14BC11D_oP108_19_17a_a_11a_a:H-Ni-O-S, expected NiH17SO11 to be NiH14SO11" +mp-1178433,CoH8(SO6)2,-5.7993010187,-1.3695927394,0.0747073893,0.0747073893,GGA+U,P2_1/c,AB8C12D2_mP46_14_a_4e_6e_e:Co-H-O-S,46.0,"Invalid WP multiplicities - AB8C12D2_mP46_14_a_13e_21e_e:Co-H-O-S, expected CoH26(SO21)2 to be CoH8(SO6)2" +mp-1213835,CoHSO4,-6.1105951071,-1.192845314,0.4289680297,0.4289680297,GGA+U,C2/c,ABC4D_mC28_15_a_e_2f_e:Co-H-O-S,14.0,ABC4D_mC28_15_c_e_2f_e:Co-H-O-S +mp-643570,NiH2SO5,-6.2046041656,-1.6006616997,0.0,-0.0292421228,GGA+U,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Ni-O-S,18.0,A2BC5D_mC36_15_f_a_e2f_e:H-Ni-O-S +mp-1101430,NiH12(SO7)2,-5.638088986,-1.361558265,0.0513562725,0.0513562725,GGA+U,P2_1/c,A12BC14D2_mP58_14_6e_a_7e_e:H-Ni-O-S,58.0,"Invalid WP multiplicities - A12BC14D2_mP58_14_21e_a_25e_e:H-Ni-O-S, expected NiH42(SO25)2 to be NiH12(SO7)2" +mp-720324,NiH12S2O9,-4.4943052531,-0.35739078,0.9684384451,0.9684384451,GGA+U,Pnma,A12BC9D2_oP96_62_6d_a_c4d_2c:H-Ni-O-S,96.0,A12BC9D2_oP96_62_6d_a_c4d_2c:H-Ni-O-S +mp-1197114,NiH12SO10,-5.5641563552,-1.3934819302,0.0080499699,0.0080499699,GGA+U,C2/c,A12BC10D_mC192_15_12f_ae_10f_f:H-Ni-O-S,96.0,A12BC10D_mC192_15_12f_ae_10f_f:H-Ni-O-S +mp-559054,NiH12SO10,-5.56590794,-1.395233515,0.0062983851,0.0062983851,GGA+U,P4_12_12,A12BC10D_tP96_92_6b_a_5b_a:H-Ni-O-S,96.0,"Invalid WP multiplicities - A12BC10D_tP96_92_41b_a_36b_a:H-Ni-O-S, expected NiH82SO72 to be NiH12SO10" +mp-695985,NiH12SO10,-5.5644941839,-1.3938197589,0.0077121412,0.0077121412,GGA+U,P4_32_12,A12BC10D_tP96_96_6b_a_5b_a:H-Ni-O-S,96.0,A12BC10D_tP96_96_6b_a_5b_a:H-Ni-O-S +mp-1182615,Ca3MnS2O17,-6.1135989978,-1.4377110519,0.5067957347000001,0.5067957347000001,GGA+U,Ama2,A3BC17D2_oC92_40_3b_a_3b7c_c:Ca-Mn-O-S,46.0,"Invalid WP multiplicities - A3BC17D2_oC92_40_6b_a_6b25c_c:Ca-Mn-O-S, expected Ca6Mn(SO28)2 to be Ca3MnS2O17" +mp-1199126,Ca3MnS2O17,-6.09383352,-1.417945574,0.5265612125,0.5265612125,GGA+U,P-62c,A3BC17D2_hP46_190_h_a_fh2i_f:Ca-Mn-O-S,46.0,A3BC17D2_hP46_190_h_a_fh2i_f:Ca-Mn-O-S +mp-630859,Mn2C7S2O7,-7.6991579306,-0.7089129448,0.6060368526000001,0.6060368526000001,GGA+U,P2_12_12_1,A7B2C7D2_oP72_19_7a_2a_7a_2a:C-Mn-O-S,72.0,"Invalid WP multiplicities - A7B2C7D2_oP72_19_28a_6a_25a_4a:C-Mn-O-S, expected Mn6C28S4O25 to be Mn2C7S2O7" +mp-638445,C4SO2,-7.6206914007,-0.3429072208,0.47805918,0.47805918,GGA,Pca2_1,A4B2C_oP56_29_8a_4a_2a:C-O-S,56.0,"Invalid WP multiplicities - A4B2C_oP56_29_29a_13a_7a:C-O-S, expected C29S7O13 to be C4SO2" +mp-704101,Mn4C15S4O15,-7.7250663703,-0.7296933784,0.5859305322,0.5859305322,GGA+U,P2_1/c,A15B4C15D4_mP152_14_15e_4e_15e_4e:C-Mn-O-S,152.0,"Invalid WP multiplicities - A15B4C15D4_mP152_14_59e_13e_58e_11e:C-Mn-O-S, expected Mn13C59S11O58 to be Mn4C15S4O15" +mp-1215068,CaMn3(CO)6,-7.6754411631,-0.516455477,1.066231222,1.066231222,GGA+U,P-1,A6BC3D6_aP16_2_3i_a_bce_3i:C-Ca-Mn-O,16.0,A6BC3D6_aP16_2_3i_a_bce_3i:C-Ca-Mn-O +mp-1192192,C3S7O,-5.9536693245,-0.3547753012,0.1639198782,0.1639198782,GGA,P-1,A3BC7_aP22_2_3i_i_7i:C-O-S,22.0,A3BC7_aP22_2_3i_i_7i:C-O-S +mp-1203167,C3S4O,-6.4592581659,-0.3119475839,0.2378584087,0.2378584087,GGA,P2_1/c,A3BC4_mP64_14_6e_2e_8e:C-O-S,64.0,A3BC4_mP64_14_6e_2e_8e:C-O-S +mp-1214211,C3S3O2,-6.7780381044,-0.5294476668,0.2978311866,0.2978311866,GGA,P2_1/c,A3B2C3_mP32_14_3e_2e_3e:C-O-S,32.0,A3B2C3_mP32_14_3e_2e_3e:C-O-S +mp-1045467,Ca(MnS2)2,-6.4724528271,-1.2045342655,0.091612715,0.091612715,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Ca-Mn-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Ca-Mn-S, expected Ca(Mn2S7)2 to be Ca(MnS2)2" +mp-1328967,Ca(MnS2)2,-6.42447038,-1.1565518183,0.1395951621,0.1395951621,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Mn-S,14.0,AB2C4_tI28_141_a_d_h:Ca-Mn-S +mp-1389718,Ca(MnS2)2,-6.4018084786,-1.1338899169,0.1622570636,0.1622570636,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Mn-S,14.0,AB2C4_cF56_227_a_d_e:Ca-Mn-S +mp-1406738,Ca(MnS2)4,-6.5642523008,-1.0453861482,0.0630870804,0.0630870804,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Ca-Mn-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Ca-Mn-S, expected Ca(Mn2S7)2 to be Ca(MnS2)4" +mp-1395180,Ca(MnS2)4,-6.6223779585,-1.1035118059,0.0049614227,0.0049614227,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Mn-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Mn-S, expected Ca(Mn2S7)2 to be Ca(MnS2)4" +mp-1214727,CaC4(SO)4,-6.174456629,-0.3857784627,0.9867064807,0.9867064807,GGA,P2_1/m,A4BC4D4_mP52_11_4f_2e_4e2f_4f:C-Ca-O-S,52.0,A4BC4D4_mP52_11_4f_2e_4e2f_4f:C-Ca-O-S +mp-754649,MnCSO7,-7.406320311,-1.690925148,0.087274204,0.087274204,GGA+U,P2_1/m,ABC7D_mP20_11_e_e_5ef_e:C-Mn-O-S,20.0,"Invalid WP multiplicities - ABC7D_mP20_11_e_e_9e2f_e:C-Mn-O-S, expected MnCSO13 to be MnCSO7" +mp-1195426,Ca3MnCSO25,-5.5367543044000005,-0.6267172698,0.7328911493,0.7328911493,GGA+U,P6_3,AB3CD25E_hP62_173_b_c_a_b8c_b:C-Ca-Mn-O-S,62.0,AB3CD25E_hP62_173_b_c_a_b8c_b:C-Ca-Mn-O-S +mp-1347880,CaMn2S5,-6.1769232619,-1.0504382871,0.2166852419,0.2166852419,GGA,Pmmn,AB2C5_oP16_59_a_e_b2e:Ca-Mn-S,16.0,AB2C5_oP16_59_a_e_b2e:Ca-Mn-S +mp-634755,CSO,-7.02775303,-0.9238183398,0.106597963,0.106597963,GGA,Cm,ABC_mC6_8_a_a_a:C-O-S,3.0,ABC_mC6_8_a_a_a:C-O-S +mp-28240,CSO,-7.02929336,-0.9253586698,0.105057633,0.105057633,GGA,R3m,ABC_hR9_160_a_a_a:C-O-S,3.0,ABC_hR9_160_a_a_a:C-O-S +mp-1227051,CaMnS2,-6.397801605,-1.5376728785,0.0634439488,0.0634439488,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Mn-S,4.0,ABC2_hR12_166_a_b_c:Ca-Mn-S +mp-1224519,K2V6CdCu9O26,-6.7769374655,-1.7052581337,0.0518141334,0.0518141334,GGA+U,Pm,AB9C2D26E6_mP44_6_a_2a3b2c_ab_7a7b6c_3a3b:Cd-Cu-K-O-V,44.0,"Invalid WP multiplicities - AB9C2D26E6_mP44_6_a_2a3b3c_ab_7a7b9c_3a3b:Cd-Cu-K-O-V, expected K2V6CdCu11O32 to be K2V6CdCu9O26" +mp-560167,KV3Cd4O12,-6.6102095835,-2.0395125469,0.0,-0.0048308603,GGA+U,Cc,A4BC12D3_mC80_9_4a_a_12a_3a:Cd-K-O-V,40.0,"Invalid WP multiplicities - A4BC12D3_mC80_9_7a_a_24a_6a:Cd-K-O-V, expected KV6Cd7O24 to be KV3Cd4O12" +mp-563041,KV3Cu5O13,-6.8204215657,-1.6765532133,0.0437391742,0.0437391742,GGA+U,P-1,A5BC13D3_aP44_2_5i_i_13i_3i:Cu-K-O-V,44.0,"Invalid WP multiplicities - A5BC13D3_aP44_2_10i_i_26i_4i:Cu-K-O-V, expected KV4(Cu5O13)2 to be KV3Cu5O13" +mp-559503,KVCdO4,-6.562967992,-2.148118046,0.0,-0.0180053688,GGA+U,P2_1/c,ABC4D_mP112_14_4e_4e_16e_4e:Cd-K-O-V,112.0,"Invalid WP multiplicities - ABC4D_mP112_14_14e_12e_62e_12e:Cd-K-O-V, expected K6V6Cd7O31 to be KVCdO4" +mp-1211626,KV3CdCu4O13,-6.7435188225000005,-1.7440285114,0.0463090296,0.0463090296,GGA+U,P2_1/m,AB4CD13E3_mP44_11_e_2ef_e_7e3f_3e:Cd-Cu-K-O-V,44.0,AB4CD13E3_mP44_11_e_2ef_e_7e3f_3e:Cd-Cu-K-O-V +mp-1044206,V3Zn(P2O7)2,-7.9161710502,-2.4880658773,0.0827643207,0.0827643207,GGA+U,P2_1/c,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-V-Zn,44.0,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-V-Zn +mp-505688,VPPbO6,-7.7016801039,-2.3805703356,0.0,-0.0091646834,GGA+U,P2_1/c,A6BCD_mP36_14_6e_e_e_e:O-P-Pb-V,36.0,A6BCD_mP36_14_6e_e_e_e:O-P-Pb-V +mp-559250,VPPbO6,-7.6982293377,-2.3771195694,0.0034507662,-0.0057139172,GGA+U,Pnma,A6BCD_oP108_62_4c7d_cd_cd_cd:O-P-Pb-V,108.0,"Invalid WP multiplicities - A6BCD_oP108_62_13c51d_2c3d_3c3d_3c3d:O-P-Pb-V, expected V9P8Pb9O115 to be VPPbO6" +mp-1041035,V2Zn(PO4)2,-7.8019500625,-2.4305907969,0.0744574579,0.0744574579,GGA+U,C2/c,A8B2C2D_mC104_15_8f_2f_cef_f:O-P-V-Zn,52.0,"Invalid WP multiplicities - A8B2C2D_mC104_15_30f_6f_2ce2f_f:O-P-V-Zn, expected V7Zn2(PO5)12 to be V2Zn(PO4)2" +mp-1358135,V4Zn(PO4)6,-7.9362596151,-2.5420964151,0.0378145237,0.0378145237,GGA+U,P-1,A24B6C4D_aP35_2_12i_3i_2i_a:O-P-V-Zn,35.0,"Invalid WP multiplicities - A24B6C4D_aP35_2_14i_3i_4i_a:O-P-V-Zn, expected V8Zn(P3O14)2 to be V4Zn(PO4)6" +mp-17924,ZnP2PbO7,-7.0203466648,-2.4361815128,0.0,-0.0099300238,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Pb-Zn,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Pb-Zn +mp-1041048,V2ZnP2O9,-7.8731912241,-2.5321655695,0.0486590685,0.0486590685,GGA+U,Pnma,A9B2C2D_oP56_62_5c2d_2c_ac_c:O-P-V-Zn,56.0,"Invalid WP multiplicities - A9B2C2D_oP56_62_7c2d_2c_ac_c:O-P-V-Zn, expected V2ZnP2O11 to be V2ZnP2O9" +mp-1216362,VPPb3O8,-7.1751657315,-2.1591150026,0.0427215302,0.0427215302,GGA+U,R3m,A8BC3D_hR39_160_2a2b_a_3a_a:O-P-Pb-V,13.0,A8BC3D_hR39_160_2a2b_a_3a_a:O-P-Pb-V +mp-562239,V2P2PbO10,-7.996461632,-2.5181982096,0.0,-0.0037822295,GGA+U,P2_1/c,A10B2CD2_mP60_14_10e_2e_e_2e:O-P-Pb-V,60.0,"Invalid WP multiplicities - A10B2CD2_mP60_14_34e_7e_e_4e:O-P-Pb-V, expected V4P7PbO34 to be V2P2PbO10" +mp-22285,V2P4PbO14,-7.8656108729,-2.4947865303,0.1180679479,0.1180679479,GGA+U,P-1,A14B4CD2_aP21_2_7i_2i_a_be:O-P-Pb-V,21.0,"Invalid WP multiplicities - A14B4CD2_aP21_2_8i_2i_a_be:O-P-Pb-V, expected V2P4PbO16 to be V2P4PbO14" +mp-1198079,VP3(Pb2O7)2,-7.3208349291,-2.346832937,0.0074579863,0.0074579863,GGA+U,P2_1/c,A14B3C4D_mP176_14_28e_6e_8e_2e:O-P-Pb-V,176.0,A14B3C4D_mP176_14_28e_6e_8e_2e:O-P-Pb-V +mp-1047813,V3ZnP3O13,-8.0146286105,-2.5617124812,0.0554361778,0.0554361778,GGA+U,P2_1/m,A13B3C3D_mP40_11_7e3f_3e_a2e_e:O-P-V-Zn,40.0,"Invalid WP multiplicities - A13B3C3D_mP40_11_12e11f_3e_2a3e_e:O-P-V-Zn, expected V5ZnP3O34 to be V3ZnP3O13" +mp-556898,VZn2P2O9,-7.2222133414,-2.440056434,0.0099135189,0.0099135189,GGA+U,I4cm,A9B2CD2_tI56_108_a2cd_c_a_c:O-P-V-Zn,28.0,"Invalid WP multiplicities - A9B2CD2_tI56_108_2a7c5d_c_a_c:O-P-V-Zn, expected VZn2(PO18)2 to be VZn2P2O9" +mp-1198645,VZnP2PbO9,-7.3252388004,-2.367874503,0.0785795527,0.0785795527,GGA+U,Pbca,A9B2CDE_oP112_61_9c_2c_c_c_c:O-P-Pb-V-Zn,112.0,A9B2CDE_oP112_61_9c_2c_c_c_c:O-P-Pb-V-Zn +mp-18097,V4Zn3(PO4)6,-7.7464727784,-2.5757917184,0.010991147,0.010991147,GGA+U,P-1,A24B6C4D3_aP37_2_12i_3i_2i_ai:O-P-V-Zn,37.0,"Invalid WP multiplicities - A24B6C4D3_aP37_2_14i_3i_4i_ai:O-P-V-Zn, expected V8Zn3(P3O14)2 to be V4Zn3(PO4)6" +mp-645799,VP2Pb2O9,-7.5692034138,-2.4366317263,0.0,-0.0029802821,GGA+U,P2_1/c,A9B2C2D_mP56_14_9e_2e_2e_e:O-P-Pb-V,56.0,"Invalid WP multiplicities - A9B2C2D_mP56_14_34e_3e_5e_e:O-P-Pb-V, expected VP3Pb5O34 to be VP2Pb2O9" +mp-1277731,VZnPO5,-7.5361415047,-2.4748420368,0.0151725486,0.0151725486,GGA+U,P-1,A5BCD_aP16_2_5i_i_ab_i:O-P-V-Zn,32.0,"Invalid WP multiplicities - A5BCD_aP16_2_9i_i_2a2b_i:O-P-V-Zn, expected V2ZnPO9 to be VZnPO5" +mp-1046701,VZnPO5,-7.5299566656,-2.4686571978,0.0213573877,0.0213573877,GGA+U,C2/c,A5BCD_mC32_15_e2f_e_a_e:O-P-V-Zn,16.0,A5BCD_mC32_15_e2f_e_c_e:O-P-V-Zn +mp-683863,V3P4Pb2O17,-7.8639128079,-2.4629924053,0.0960730049,0.0960730049,GGA+U,C2/c,A17B4C2D3_mC208_15_17f_4f_2f_2e2f:O-P-Pb-V,104.0,"Invalid WP multiplicities - A17B4C2D3_mC208_15_66f_13f_5f_4e7f:O-P-Pb-V, expected V9P13Pb5O66 to be V3P4Pb2O17" +mp-1371973,V2Zn3(P2O9)2,-7.2842264933,-2.3716098341,0.0683469243,0.0683469243,GGA+U,Cm,A18B4C2D3_mC54_8_4a7b_2ab_b_ab:O-P-V-Zn,27.0,"Invalid WP multiplicities - A18B4C2D3_mC54_8_4a13b_2a2b_b_ab:O-P-V-Zn, expected V2Zn3(PO5)6 to be V2Zn3(P2O9)2" +mp-1367959,VZnP2O7,-7.5503372152,-2.4778757905,0.0473477064,0.0473477064,GGA+U,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-V-Zn,44.0,A7B2CD_aP22_2_7i_2i_i_i:O-P-V-Zn +mp-1042065,VZnP2O7,-7.548172307,-2.4757108823,0.0495126145,0.0495126145,GGA+U,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-V-Zn,44.0,A7B2CD_aP22_2_7i_2i_i_i:O-P-V-Zn +mp-1048243,VZnP2O7,-7.5790723305,-2.5066109057,0.0186125911,0.0186125911,GGA+U,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-V-Zn,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_23e_7e_e_e:O-P-V-Zn, expected VZnP7O23 to be VZnP2O7" +mp-699581,V3P4PbO17,-8.0299280784,-2.5614767425,0.0007017274,0.0007017274,GGA+U,P2_12_12_1,A17B4CD3_oP100_19_17a_4a_a_3a:O-P-Pb-V,100.0,"Invalid WP multiplicities - A17B4CD3_oP100_19_66a_10a_a_10a:O-P-Pb-V, expected V10P10PbO66 to be V3P4PbO17" +mp-1216403,VP3(Pb3O8)2,-7.1246775958,-2.2498039269,0.0191630814,0.0191630814,GGA+U,P1,A16B3C6D_aP26_1_16a_3a_6a_a:O-P-Pb-V,26.0,A16B3C6D_aP26_1_16a_3a_6a_a:O-P-Pb-V +mp-1216343,VZn6P3O16,-6.6115482235,-2.3027291992,0.0061811775,0.0061811775,GGA+U,P1,A16B3CD6_aP26_1_16a_3a_a_6a:O-P-V-Zn,26.0,A16B3CD6_aP26_1_16a_3a_a_6a:O-P-V-Zn +mp-1216361,VP2PbO8,-7.7891279885,-2.5227390016,0.0,-0.0044644609,GGA+U,P2_12_12_1,A8B2CD_oP48_19_8a_2a_a_a:O-P-Pb-V,48.0,A8B2CD_oP48_19_8a_2a_a_a:O-P-Pb-V +mp-1202139,VPPbO7,-7.2104551582,-1.9267874957,0.2157258064,0.2157258064,GGA+U,P2_1/c,A7BCD_mP80_14_14e_2e_2e_2e:O-P-Pb-V,80.0,A7BCD_mP80_14_14e_2e_2e_2e:O-P-Pb-V +mp-1197426,ZnP14Pb,-5.102027005,-0.0546128942,0.0,-0.0060866107,GGA,Pnma,A14BC_oP64_62_4c5d_c_c:P-Pb-Zn,64.0,A14BC_oP64_62_4c5d_c_c:P-Pb-Zn +mp-1204907,ZnP14Pb,-5.0253198845,0.0220942263,0.0767071205,0.0706205098,GGA,Pnma,A14BC_oP64_62_4c5d_c_c:P-Pb-Zn,64.0,A14BC_oP64_62_4c5d_c_c:P-Pb-Zn +mp-1043831,V2Zn(PO5)2,-7.761150599,-2.4464140739,0.0691796363,0.0691796363,GGA+U,Fdd2,A10B2C2D_oF120_43_5b_b_b_a:O-P-V-Zn,30.0,"Invalid WP multiplicities - A10B2C2D_oF120_43_14b_b_b_a:O-P-V-Zn, expected V2Zn(PO14)2 to be V2Zn(PO5)2" +mp-21963,YTl5Cu2(NO2)12,-6.3799118953,-0.8063535236,0.2184993393,0.2184993393,GGA,Pn-3,A2B12C24D5E_cP88_201_b_h_2h_cd_a:Cu-N-O-Tl-Y,88.0,"Invalid WP multiplicities - A2B12C24D5E_cP88_201_b_h_3h_cd_a:Cu-N-O-Tl-Y, expected YTl5Cu2(NO3)12 to be YTl5Cu2(NO2)12" +mp-1096218,Y2TlCu,-2.7108105725,2.1378874383,2.4580801366,2.4580801366,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Tl-Y +mp-772584,Ti5V(PO4)6,-8.4595268647,-2.9105904685,0.0769102787,0.0769102787,GGA+U,R3,A24B6C5D_hR108_146_8b_2b_5a_a:O-P-Ti-V,36.0,"Invalid WP multiplicities - A24B6C5D_hR108_146_20b_2b_5a_a:O-P-Ti-V, expected Ti5V(PO10)6 to be Ti5V(PO4)6" +mp-1195080,RbV2PO11,-6.908487756,-1.6434727865,0.3425383935,0.3425383935,GGA+U,P2_12_12_1,A11BCD2_oP60_19_11a_a_a_2a:O-P-Rb-V,60.0,A11BCD2_oP60_19_11a_a_a_2a:O-P-Rb-V +mp-885510,TiV5(PO4)6,-8.4006622231,-2.7196798209,0.0400224701,0.0400224701,GGA+U,R3,A24B6CD5_hR108_146_8b_2b_a_5a:O-P-Ti-V,36.0,"Invalid WP multiplicities - A24B6CD5_hR108_146_20b_2b_a_5a:O-P-Ti-V, expected TiV5(PO10)6 to be TiV5(PO4)6" +mp-818600,RbV(PO4)2,-7.5682754447,-2.5295625409,0.0632829619,0.0459146202,GGA+U,P-1,A8B2CD_aP36_2_12i_3i_bi_ei:O-P-Rb-V,36.0,A8B2CD_aP36_2_12i_3i_bi_ei:O-P-Rb-V +mp-559279,RbV(PO4)2,-7.6315584067,-2.5928455028,0.0,-0.0173683418,GGA+U,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-V,48.0,"Invalid WP multiplicities - A8B2CD_mP48_14_31e_7e_e_e:O-P-Rb-V, expected RbVP7O31 to be RbV(PO4)2" +mp-818373,RbV(PO4)2,-7.5751323158,-2.536419412,0.0564260908,0.0390577491,GGA+U,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-V,48.0,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-V +mp-18436,RbVP2O7,-7.7873527784,-2.7402740389,0.0,-0.0484227247,GGA+U,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-V,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-V +mp-561349,RbVPO5,-7.6756432987,-2.6492450231,0.0,-0.005313029,GGA+U,P2_12_12_1,A5BCD_oP32_19_5a_a_a_a:O-P-Rb-V,32.0,"Invalid WP multiplicities - A5BCD_oP32_19_14a_a_a_a:O-P-Rb-V, expected RbVPO14 to be RbVPO5" +mp-1101551,Li3Mn3(PO4)4,-7.6713498169,-2.5170019753,0.0219015194,0.0219015194,GGA+U,C2/c,A3B3C16D4_mC104_15_ef_cf_8f_2f:Li-Mn-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_2e2f_2a2f_29f_5f:Li-Mn-O-P, expected Li3Mn3P5O29 to be Li3Mn3(PO4)4" +mp-689967,LiMn(PO3)4,-7.6005719494,-2.4847712428,0.0915460154,0.0827224249,GGA+U,P1,ABC12D4_aP18_1_a_a_12a_4a:Li-Mn-O-P,18.0,ABC12D4_aP18_1_a_a_12a_4a:Li-Mn-O-P +mp-849343,LiMn(PO3)4,-7.6282828,-2.5124820933,0.0638351649,0.0550115743,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Mn-O-P, expected LiMnP7O23 to be LiMn(PO3)4" +mp-26783,LiMn(PO3)4,-7.6577454642,-2.5419447575,0.0343725007,0.0255489101,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Li-Mn-O-P, expected LiMnP7O23 to be LiMn(PO3)4" +mp-31980,LiMn(PO3)4,-7.6330534094,-2.5172527028,0.0590645554,0.0502409649,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_6a:Li-Mn-O-P, expected LiMnP6O23 to be LiMn(PO3)4" +mp-1101579,LiMn(PO3)4,-7.5767444158,-2.4609437091,0.115373549,0.1065499585,GGA+U,Pc,ABC12D4_mP72_7_2a_2a_24a_8a:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_7_3a_3a_47a_15a:Li-Mn-O-P, expected Li3Mn3P15O47 to be LiMn(PO3)4" +mp-31950,LiMn(PO3)4,-7.6689035286,-2.5531028219,0.0232144362,0.0143908457,GGA+U,Cc,ABC12D4_mC72_9_a_a_12a_4a:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_23a_6a:Li-Mn-O-P, expected LiMnP6O23 to be LiMn(PO3)4" +mp-540331,LiMn(PO3)4,-7.6581616964,-2.5423609897,0.0339562685,0.0251326779,GGA+U,C2/m,ABC12D4_mC72_12_i_e_gi5j_2j:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_i_e_2h2i18j_6j:Li-Mn-O-P, expected LiMn(P3O10)4 to be LiMn(PO3)4" +mp-759260,LiMn(PO3)4,-7.6242009426,-2.5084002359,0.0679170222,0.0590934317,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Li-Mn-O-P, expected LiMnP15O47 to be LiMn(PO3)4" +mp-849397,LiMn(PO3)4,-7.6286932822,-2.5128925755,0.0634246826,0.0546010921,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Li-Mn-O-P, expected LiMnP15O47 to be LiMn(PO3)4" +mp-831167,LiMn(PO3)4,-7.6079099194,-2.4921092128,0.0842080454,0.0753844549,GGA+U,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Li-Mn-O-P, expected LiMnP13O45 to be LiMn(PO3)4" +mp-781681,LiMn(PO3)4,-7.6127190269,-2.4969183203,0.0793989379,0.0705753474,GGA+U,C2/c,ABC12D4_mC72_15_a_e_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_23f_5f:Li-Mn-O-P, expected LiMn(P5O23)2 to be LiMn(PO3)4" +mp-849303,LiMn(PO3)4,-7.5921452258,-2.4763445191,0.099972739,0.0911491485,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Li-Mn-O-P, expected LiMn(P5O21)2 to be LiMn(PO3)4" +mp-758986,LiMn(PO3)4,-7.6636159519,-2.5478152453,0.0285020129,0.0196784224,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_c_e_23f_5f:Li-Mn-O-P, expected LiMn(P5O23)2 to be LiMn(PO3)4" +mp-769533,LiMn(PO3)4,-7.6356330833,-2.5198323766,0.0564848815,0.047661291,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_3f:Li-Mn-O-P, expected LiMn(PO7)6 to be LiMn(PO3)4" +mp-26155,LiMn(PO3)4,-7.6788420594,-2.5630413528,0.0132759054,0.0044523149,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_c_21f_6f:Li-Mn-O-P, expected LiMn(P2O7)6 to be LiMn(PO3)4" +mp-759017,LiMn(PO3)4,-7.5990859281,-2.4832852214,0.0930320368,0.0842084463,GGA+U,C2/c,ABC12D4_mC72_15_e_a_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_a_23f_5f:Li-Mn-O-P, expected LiMn(P5O23)2 to be LiMn(PO3)4" +mp-1176700,LiMn(PO3)4,-7.6453198194,-2.5295191128,0.0467981454,0.0379745549,GGA+U,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Li-Mn-O-P, expected LiMn(P5O21)2 to be LiMn(PO3)4" +mp-694557,LiMn(PO3)4,-7.6368880614,-2.5210873547,0.0552299035,0.0464063129,GGA+U,P2_12_12_1,ABC12D4_oP72_19_a_a_12a_4a:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_19_a_a_44a_11a:Li-Mn-O-P, expected LiMn(PO4)11 to be LiMn(PO3)4" +mp-782648,LiMn(PO3)4,-7.6200770706,-2.5042763639,0.0720408943,0.0632173038,GGA+U,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_23c_2ab6c:Li-Mn-O-P, expected Li2Mn2P15O46 to be LiMn(PO3)4" +mp-26983,LiMn(PO3)4,-7.692117964899999,-2.5763172582,0.0,-0.0088235906,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_39d_12d:Li-Mn-O-P, expected LiMn(P4O13)6 to be LiMn(PO3)4" +mp-1176690,LiMn(PO3)4,-7.5951713472,-2.4793706405,0.0969466176,0.0881230271,GGA+U,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_21d_5d:Li-Mn-O-P, expected LiMn(P5O21)2 to be LiMn(PO3)4" +mp-704184,LiMn(PO3)4,-7.5727849796,-2.4569842729,0.1193329853,0.1105093947,GGA+U,P4_2/nnm,ABC12D4_tP72_134_e_d_2m2n_ij:Li-Mn-O-P,72.0,"Invalid WP multiplicities - ABC12D4_tP72_134_e_d_13m23n_3i4j:Li-Mn-O-P, expected LiMn(P7O59)2 to be LiMn(PO3)4" +mp-759540,Li2Mn4P4O15,-7.9934240308,-2.5406461269,0.0710945084,0.0710945084,GGA+U,C2/c,A2B4C15D4_mC200_15_2f_c3e2f_15f_4f:Li-Mn-O-P,100.0,"Invalid WP multiplicities - A2B4C15D4_mC200_15_5f_2a6e7f_59f_15f:Li-Mn-O-P, expected Li5Mn11P15O59 to be Li2Mn4P4O15" +mp-863039,Li2MnPO5,-7.2638735953,-2.4720283632,0.0776586028,0.0776586028,GGA+U,P2_1/c,A2BC5D_mP72_14_4e_2e_10e_2e:Li-Mn-O-P,72.0,"Invalid WP multiplicities - A2BC5D_mP72_14_13e_7e_37e_7e:Li-Mn-O-P, expected Li13Mn7P7O37 to be Li2MnPO5" +mp-752743,Li2MnPO5,-7.2660679111,-2.4742226791,0.0754642869,0.0754642869,GGA+U,C2/c,A2BC5D_mC36_15_f_a_e2f_e:Li-Mn-O-P,18.0,"Invalid WP multiplicities - A2BC5D_mC36_15_f_a_2e7f_e:Li-Mn-O-P, expected Li2MnPO16 to be Li2MnPO5" +mp-849324,Li4Mn7(PO4)6,-7.9916104015,-2.55331424,0.05364817,0.05364817,GGA+U,P1,A4B7C24D6_aP41_1_4a_7a_24a_6a:Li-Mn-O-P,41.0,A4B7C24D6_aP41_1_4a_7a_24a_6a:Li-Mn-O-P +mp-849248,Li4Mn7(PO4)6,-7.9696566295,-2.531360468,0.075601942,0.075601942,GGA+U,Cm,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Mn-O-P,41.0,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Mn-O-P +mp-1177355,Li4Mn7(PO4)6,-7.9903267251,-2.5520305636,0.0549318463,0.0549318463,GGA+U,Cm,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Mn-O-P,41.0,A4B7C24D6_mC82_8_2ab_a3b_4a10b_2a2b:Li-Mn-O-P +mp-758525,LiMn3(PO4)4,-7.7610916879,-2.336291765,0.0616569489,0.0616569489,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Li-Mn-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Li-Mn-O-P +mp-26977,LiMn2P3O10,-7.9939874534,-2.6227531982,0.0,-0.0011646271,GGA+U,P2_1/m,AB2C10D3_mP32_11_a_f_4e3f_3e:Li-Mn-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mP32_11_a_f_7e7f_5e:Li-Mn-O-P, expected LiMn2P5O21 to be LiMn2P3O10" +mp-26927,LiMn2P3O10,-7.9500160938,-2.5787818385,0.0439713597,0.0428067326,GGA+U,C2/c,AB2C10D3_mC64_15_e_f_5f_ef:Li-Mn-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mC64_15_e_f_19f_2e2f:Li-Mn-O-P, expected LiMn2(P3O19)2 to be LiMn2P3O10" +mp-768651,Li5Mn2(PO4)3,-7.3307796305,-2.6276515863,0.0503298823,0.0503298823,GGA+U,P1,A5B2C12D3_aP44_1_10a_4a_24a_6a:Li-Mn-O-P,44.0,A5B2C12D3_aP44_1_10a_4a_24a_6a:Li-Mn-O-P +mp-780484,Li5Mn2(PO4)3,-7.288589586,-2.5854615418,0.0925199267,0.0925199267,GGA+U,P1,A5B2C12D3_aP88_1_20a_8a_48a_12a:Li-Mn-O-P,88.0,A5B2C12D3_aP88_1_20a_8a_48a_12a:Li-Mn-O-P +mp-768628,Li5Mn2(PO4)3,-7.2903805986,-2.5872525544,0.0907289141,0.0907289141,GGA+U,P-1,A5B2C12D3_aP44_2_5i_2i_12i_3i:Li-Mn-O-P,44.0,"Invalid WP multiplicities - A5B2C12D3_aP44_2_9i_3i_23i_5i:Li-Mn-O-P, expected Li9Mn3P5O23 to be Li5Mn2(PO4)3" +mp-1177120,Li5Mn2(PO4)3,-7.2972887723,-2.5941607281,0.0838207405,0.0838207405,GGA+U,P-1,A5B2C12D3_aP44_2_5i_2i_12i_3i:Li-Mn-O-P,44.0,"Invalid WP multiplicities - A5B2C12D3_aP44_2_9i_3i_23i_5i:Li-Mn-O-P, expected Li9Mn3P5O23 to be Li5Mn2(PO4)3" +mp-778881,Li5Mn2(PO4)3,-7.3281706473,-2.6250426031,0.0529388655,0.0529388655,GGA+U,P2_1,A5B2C12D3_mP88_4_10a_4a_24a_6a:Li-Mn-O-P,88.0,"Invalid WP multiplicities - A5B2C12D3_mP88_4_18a_4a_46a_12a:Li-Mn-O-P, expected Li9Mn2P6O23 to be Li5Mn2(PO4)3" +mp-849398,Li5Mn2(PO4)3,-7.3419327447,-2.6388047005,0.0391767681,0.0391767681,GGA+U,P2_1/c,A5B2C12D3_mP88_14_5e_2e_12e_3e:Li-Mn-O-P,88.0,"Invalid WP multiplicities - A5B2C12D3_mP88_14_17e_3e_47e_11e:Li-Mn-O-P, expected Li17Mn3P11O47 to be Li5Mn2(PO4)3" +mp-705355,Li2Mn(PO3)5,-7.5405037711,-2.5732557612,0.0308022829,0.0308022829,GGA+U,P2_1/m,A2BC15D5_mP46_11_f_a_3e6f_e2f:Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_11_f_a_6e20f_2e5f:Li-Mn-O-P, expected Li2Mn(P6O23)2 to be Li2Mn(PO3)5" +mp-1097049,LiMn2P2O9,-7.7811449116,-2.3825908498,0.0211131552,0.0211131552,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Li-Mn-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Li-Mn-O-P, expected LiMn2P2O11 to be LiMn2P2O9" +mp-540023,Li5Mn9(P2O7)8,-7.812741497,-2.5147163819,0.0194567837,0.0194567837,GGA+U,P1,A5B9C56D16_aP86_1_5a_9a_56a_16a:Li-Mn-O-P,86.0,A5B9C56D16_aP86_1_5a_9a_56a_16a:Li-Mn-O-P +mp-757635,Li4MnP2O9,-7.0586770687,-2.5496451829,0.0190470886,0.0190470886,GGA+U,C2/m,A4BC9D2_mC64_12_fg2i_e_5i2j_2i:Li-Mn-O-P,32.0,"Invalid WP multiplicities - A4BC9D2_mC64_12_eg4i_f_9i4j_3i:Li-Mn-O-P, expected Li6MnP3O17 to be Li4MnP2O9" +mp-1177475,Li4MnP2O9,-7.0372452894,-2.5282134035,0.040478868,0.040478868,GGA+U,P2/c,A4BC9D2_mP160_13_ae9g_c2g_f22g_5g:Li-Mn-O-P,160.0,"Invalid WP multiplicities - A4BC9D2_mP160_13_2a2e36g_c4g_2f87g_17g:Li-Mn-O-P, expected Li76Mn9(P17O88)2 to be Li4MnP2O9" +mp-757767,Li4MnP2O9,-7.0162197241,-2.5071878382,0.0615044333,0.0615044333,GGA+U,Pbca,A4BC9D2_oP128_61_4c_c_9c_2c:Li-Mn-O-P,128.0,"Invalid WP multiplicities - A4BC9D2_oP128_61_13c_c_33c_5c:Li-Mn-O-P, expected Li13MnP5O33 to be Li4MnP2O9" +mp-25923,Li6Mn9(PO4)8,-7.9394926902,-2.5665448058,0.0474184935,0.0474184935,GGA+U,P-1,A6B9C32D8_aP55_2_3i_bcd3i_16i_4i:Li-Mn-O-P,55.0,"Invalid WP multiplicities - A6B9C32D8_aP55_2_5i_bcd6i_31i_7i:Li-Mn-O-P, expected Li10Mn15(P7O31)2 to be Li6Mn9(PO4)8" +mp-25829,LiMn2P3O11,-7.8283503438,-2.4820893559,0.0409280204,0.0409280204,GGA+U,C2,AB2C11D3_mC68_5_c_2c_ab10c_ab2c:Li-Mn-O-P,34.0,"Invalid WP multiplicities - AB2C11D3_mC68_5_c_4c_ab19c_ab3c:Li-Mn-O-P, expected LiMn4(PO5)4 to be LiMn2P3O11" +mp-760033,Li7Mn4(PO4)6,-7.4766806276,-2.569098546,0.0281166209,0.0281166209,GGA+U,P1,A7B4C24D6_aP41_1_7a_4a_24a_6a:Li-Mn-O-P,41.0,A7B4C24D6_aP41_1_7a_4a_24a_6a:Li-Mn-O-P +mp-540517,LiMn5(P2O7)4,-7.9310731431,-2.4660087789,0.0342675447,0.0342675447,GGA+U,P-1,AB5C28D8_aP84_2_ab_5i_28i_8i:Li-Mn-O-P,84.0,"Invalid WP multiplicities - AB5C28D8_aP84_2_ab_8i_54i_14i:Li-Mn-O-P, expected LiMn8(P7O27)2 to be LiMn5(P2O7)4" +mp-850918,Li2Mn5(PO4)4,-8.1138591478,-2.5424461255,0.0502552135,0.0502552135,GGA+U,P-1,A2B5C16D4_aP27_2_i_a2i_8i_2i:Li-Mn-O-P,27.0,"Invalid WP multiplicities - A2B5C16D4_aP27_2_i_a3i_15i_3i:Li-Mn-O-P, expected Li2Mn7(PO5)6 to be Li2Mn5(PO4)4" +mp-26553,Li2Mn3(P2O7)2,-7.9138583396,-2.6003477485,0.0291816091,0.0291816091,GGA+U,P-1,A2B3C14D4_aP23_2_i_ai_7i_2i:Li-Mn-O-P,23.0,"Invalid WP multiplicities - A2B3C14D4_aP23_2_i_ai_13i_3i:Li-Mn-O-P, expected Li2Mn3(P3O13)2 to be Li2Mn3(P2O7)2" +mp-32027,Li2Mn3(P2O7)2,-7.9196420498,-2.6061314588,0.0233978989,0.0233978989,GGA+U,P-1,A2B3C14D4_aP46_2_2i_3i_14i_4i:Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_aP46_2_4i_3i_27i_8i:Li-Mn-O-P, expected Li4Mn3P8O27 to be Li2Mn3(P2O7)2" +mp-758230,Li2Mn3(P2O7)2,-7.8786613604,-2.5651507694,0.0643785883,0.0643785883,GGA+U,P2_1,A2B3C14D4_mP46_4_2a_3a_14a_4a:Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_4_3a_5a_27a_7a:Li-Mn-O-P, expected Li3Mn5P7O27 to be Li2Mn3(P2O7)2" +mp-26083,Li2Mn3(P2O7)2,-7.9347737439,-2.6212631529,0.0082662048,0.0082662048,GGA+U,P2_1/c,A2B3C14D4_mP46_14_e_ae_7e_2e:Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2B3C14D4_mP46_14_e_2a2e_27e_3e:Li-Mn-O-P, expected LiMn3(PO9)3 to be Li2Mn3(P2O7)2" +mp-776277,Li6Mn3P8O29,-7.4172034502,-2.5106822381,0.0122440732,0.0122440732,GGA+U,P1,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Mn-O-P,92.0,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Mn-O-P +mp-704284,Li6Mn3P8O29,-7.4155964182,-2.5090752061,0.0138511052,0.0138511052,GGA+U,P1,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Mn-O-P,92.0,A6B3C29D8_aP92_1_12a_6a_58a_16a:Li-Mn-O-P +mp-766128,LiMn2(PO5)2,-7.5563661347,-2.1879364296,0.0555206418,0.0555206418,GGA+U,P1,AB2C10D2_aP30_1_2a_4a_20a_4a:Li-Mn-O-P,30.0,AB2C10D2_aP30_1_2a_4a_20a_4a:Li-Mn-O-P +mp-766439,LiMn2(PO5)2,-7.5361039207,-2.1676742156,0.0757828558,0.0757828558,GGA+U,P2_1,AB2C10D2_mP30_4_a_2a_10a_2a:Li-Mn-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_mP30_4_a_2a_20a_4a:Li-Mn-O-P, expected LiMn2(PO5)4 to be LiMn2(PO5)2" +mp-504691,LiMnP,-5.9975049533,-0.5027580649,0.1209816683,0.1150827874,GGA,P4/nmm,ABC_tP6_129_a_b_c:Li-Mn-P,6.0,ABC_tP6_129_a_b_c:Li-Mn-P +mp-1176614,LiMnP,-6.1184866217,-0.6237397332,0.0,-0.0058988809,GGA,P4/nmm,ABC_tP6_129_c_a_c:Li-Mn-P,6.0,ABC_tP6_129_c_a_c:Li-Mn-P +mp-757770,Li3MnPO5,-7.0274873752,-2.5239343798,0.0753436143,0.0753436143,GGA+U,Pna2_1,A3BC5D_oP40_33_3a_a_5a_a:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A3BC5D_oP40_33_6a_a_10a_a:Li-Mn-O-P, expected Li6MnPO10 to be Li3MnPO5" +mp-766388,LiMn2(PO4)2,-7.934389261,-2.5010763261,0.0451340634,0.0451340634,GGA+U,P1,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P,39.0,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P +mp-883780,LiMn2(PO4)2,-3.6406340213,1.7926789137,4.3388893031,4.3388893031,GGA+U,P1,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P,39.0,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P +mp-753476,LiMn2(PO4)2,-7.909393575,-2.4760806401,0.0701297494,0.0701297494,GGA+U,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_aP13_1_a_4a_8a_2a:Li-Mn-O-P, expected LiMn4(PO4)2 to be LiMn2(PO4)2" +mp-777568,LiMn2(PO4)2,-7.9519258097,-2.5186128748,0.0275975147,0.0275975147,GGA+U,P1,AB2C8D2_aP78_1_6a_12a_48a_12a:Li-Mn-O-P,78.0,AB2C8D2_aP78_1_6a_12a_48a_12a:Li-Mn-O-P +mp-1176666,LiMn2(PO4)2,-7.8984329415,-2.4651200066,0.0810903829,0.0810903829,GGA+U,P1,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P,39.0,AB2C8D2_aP39_1_3a_6a_24a_6a:Li-Mn-O-P +mp-768495,LiMn2(PO4)2,-7.9473661127,-2.5140531778,0.0321572117,0.0321572117,GGA+U,P1,AB2C8D2_aP78_1_6a_12a_48a_12a:Li-Mn-O-P,78.0,AB2C8D2_aP78_1_6a_12a_48a_12a:Li-Mn-O-P +mp-1666995,LiMn2(PO4)2,-7.9679920208,-2.5346790858,0.0115313037,0.0115313037,GGA+U,P1,AB2C8D2_aP26_1_2a_4a_16a_4a:Li-Mn-O-P,26.0,AB2C8D2_aP26_1_2a_4a_16a_4a:Li-Mn-O-P +mp-768470,LiMn2(PO4)2,-7.9430988764,-2.5097859415,0.036424448,0.036424448,GGA+U,P-1,AB2C8D2_aP39_2_ai_3i_12i_3i:Li-Mn-O-P,39.0,"Invalid WP multiplicities - AB2C8D2_aP39_2_ai_5i_23i_5i:Li-Mn-O-P, expected Li3Mn10(P5O23)2 to be LiMn2(PO4)2" +mp-768515,LiMn2(PO4)2,-7.9517654031,-2.5184524681,0.0277579213,0.0277579213,GGA+U,P-1,AB2C8D2_aP78_2_be2i_6i_24i_6i:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_aP78_2_be3i_11i_47i_11i:Li-Mn-O-P, expected Li4Mn11P11O47 to be LiMn2(PO4)2" +mp-768477,LiMn2(PO4)2,-7.9516325297,-2.5183195948,0.0278907947,0.0278907947,GGA+U,P-1,AB2C8D2_aP78_2_bc2i_6i_24i_6i:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_aP78_2_bc4i_11i_47i_11i:Li-Mn-O-P, expected Li5Mn11P11O47 to be LiMn2(PO4)2" +mp-768497,LiMn2(PO4)2,-7.9546654309,-2.521352496,0.0248578935,0.0248578935,GGA+U,P-1,AB2C8D2_aP78_2_bc2i_6i_24i_6i:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_aP78_2_bc4i_10i_46i_12i:Li-Mn-O-P, expected Li5Mn10(P6O23)2 to be LiMn2(PO4)2" +mp-1176722,LiMn2(PO4)2,-7.9558415906,-2.5225286557,0.0236817338,0.0236817338,GGA+U,P-1,AB2C8D2_aP78_2_be2i_6i_24i_6i:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_aP78_2_be4i_11i_47i_11i:Li-Mn-O-P, expected Li5Mn11P11O47 to be LiMn2(PO4)2" +mp-1978995,LiMn2(PO4)2,-7.9711461804,-2.5378332455,0.008377144,0.008377144,GGA+U,P-1,AB2C8D2_aP26_2_be_2i_8i_2i:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_aP26_2_bd_4i_16i_3i:Li-Mn-O-P, expected LiMn4P3O16 to be LiMn2(PO4)2" +mp-753779,LiMn2(PO4)2,-7.9723639565,-2.5390510216,0.0071593679,0.0071593679,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_4_a_3a_15a_3a:Li-Mn-O-P, expected LiMn3(PO5)3 to be LiMn2(PO4)2" +mp-1176680,LiMn2(PO4)2,-7.9252988469,-2.491985912,0.0542244775,0.0542244775,GGA+U,P2_1,AB2C8D2_mP26_4_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_4_a_2a_14a_2a:Li-Mn-O-P, expected LiMn2(PO7)2 to be LiMn2(PO4)2" +mp-1176684,LiMn2(PO4)2,-7.9187176444,-2.4854047094,0.0608056801,0.0608056801,GGA+U,P2_1,AB2C8D2_mP78_4_3a_6a_24a_6a:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_mP78_4_5a_12a_48a_10a:Li-Mn-O-P, expected Li5Mn12(P5O24)2 to be LiMn2(PO4)2" +mp-753752,LiMn2(PO4)2,-7.9211387738,-2.4878258389,0.0583845506,0.0583845506,GGA+U,C2,AB2C8D2_mC26_5_a_ab_4c_c:Li-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_7c_c:Li-Mn-O-P, expected LiMn2(PO7)2 to be LiMn2(PO4)2" +mp-768460,LiMn2(PO4)2,-7.9531202279,-2.519807293,0.0264030965,0.0264030965,GGA+U,C2,AB2C8D2_mC78_5_ac_ab2c_12c_ab2c:Li-Mn-O-P,39.0,"Invalid WP multiplicities - AB2C8D2_mC78_5_a2c_ab4c_22c_ab4c:Li-Mn-O-P, expected Li5Mn10(P5O22)2 to be LiMn2(PO4)2" +mp-755395,LiMn2(PO4)2,-7.9091509681,-2.4758380331,0.0703723563,0.0703723563,GGA+U,Pc,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_7_a_4a_16a_4a:Li-Mn-O-P, expected LiMn4(PO4)4 to be LiMn2(PO4)2" +mp-753423,LiMn2(PO4)2,-7.8968770215,-2.4635640866,0.0826463029,0.0826463029,GGA+U,Pc,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_7_a_4a_16a_4a:Li-Mn-O-P, expected LiMn4(PO4)4 to be LiMn2(PO4)2" +mp-753872,LiMn2(PO4)2,-7.8966252235,-2.4633122885,0.082898101,0.082898101,GGA+U,Pc,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_7_a_4a_8a_2a:Li-Mn-O-P, expected LiMn4(PO4)2 to be LiMn2(PO4)2" +mp-754033,LiMn2(PO4)2,-7.9318428212,-2.4985298862,0.0476805033,0.0476805033,GGA+U,Pc,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P,26.0,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P +mp-753914,LiMn2(PO4)2,-7.91682586,-2.4835129251,0.0626974644,0.0626974644,GGA+U,Pc,AB2C8D2_mP26_7_a_2a_8a_2a:Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_mP26_7_a_3a_16a_3a:Li-Mn-O-P, expected LiMn3P3O16 to be LiMn2(PO4)2" +mp-766469,LiMn2(PO4)2,-7.9189132363,-2.4856003014,0.0606100881,0.0606100881,GGA+U,Pc,AB2C8D2_mP52_7_2a_4a_16a_4a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mP52_7_2a_4a_32a_4a:Li-Mn-O-P, expected LiMn2(PO8)2 to be LiMn2(PO4)2" +mp-768389,LiMn2(PO4)2,-7.9545495968,-2.5212366619,0.0249737276,0.0249737276,GGA+U,P2/c,AB2C8D2_mP78_13_eg_ef2g_12g_ef2g:Li-Mn-O-P,78.0,"Invalid WP multiplicities - AB2C8D2_mP78_13_e2g_ef4g_22g_ef4g:Li-Mn-O-P, expected Li5Mn10(P5O22)2 to be LiMn2(PO4)2" +mp-766455,LiMn2(PO4)2,-7.9040254115,-2.4707124766,0.0754979129,0.0754979129,GGA+U,Pca2_1,AB2C8D2_oP52_29_a_2a_8a_2a:Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_oP52_29_a_5a_29a_5a:Li-Mn-O-P, expected LiMn5P5O29 to be LiMn2(PO4)2" +mp-780723,Li6Mn3(PO4)4,-7.40500491,-2.5863906865,0.0810870251,0.0810870251,GGA+U,P1,A6B3C16D4_aP87_1_18a_9a_48a_12a:Li-Mn-O-P,87.0,A6B3C16D4_aP87_1_18a_9a_48a_12a:Li-Mn-O-P +mp-1177655,Li3Mn3P8O29,-7.4309416235,-2.3152856431,0.0793247418,0.0793247418,GGA+U,C2/c,A3B3C29D8_mC172_15_af_ef_e14f_4f:Li-Mn-O-P,86.0,"Invalid WP multiplicities - A3B3C29D8_mC172_15_cf_ef_2e51f_9f:Li-Mn-O-P, expected Li3Mn3(P9O52)2 to be Li3Mn3P8O29" +mp-780706,LiMnP2O7,-7.699131585,-2.5605530258,0.0059762161,0.0011831654,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P +mp-540188,LiMnP2O7,-7.6052548318,-2.4666762727,0.0998529693,0.0950599186,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P +mp-26555,LiMnP2O7,-7.684372225,-2.5457936658,0.0207355761,0.0159425254,GGA+U,P1,ABC7D2_aP44_1_4a_4a_28a_8a:Li-Mn-O-P,44.0,ABC7D2_aP44_1_4a_4a_28a_8a:Li-Mn-O-P +mp-776469,LiMnP2O7,-7.6378640699,-2.4992855107,0.0672437312,0.0624506805,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-849692,LiMnP2O7,-7.6403237298,-2.5017451706,0.0647840714,0.0599910206,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-849605,LiMnP2O7,-7.6463367777,-2.5077582186000003,0.0587710234,0.0539779727,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-849723,LiMnP2O7,-7.6468956324,-2.5083170732,0.0582121687,0.053419118,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-849674,LiMnP2O7,-7.6443116468,-2.5057330877,0.0607961543,0.0560031036,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-849721,LiMnP2O7,-7.6358205366,-2.4972419774,0.0692872645,0.0644942138,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-1176663,LiMnP2O7,-7.6556700199,-2.5170914607,0.0494377812,0.0446447305,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-1176685,LiMnP2O7,-7.6446500102,-2.5060714511,0.0604577909,0.0556647402,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-1176713,LiMnP2O7,-7.6533242266,-2.5147456674,0.0517835745,0.0469905238,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-1176822,LiMnP2O7,-7.638229341,-2.4996507819,0.0668784601,0.0620854094,GGA+U,P1,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P,88.0,ABC7D2_aP88_1_8a_8a_56a_16a:Li-Mn-O-P +mp-31960,LiMnP2O7,-7.6880067305,-2.5494281713,0.0171010707,0.0123080199,GGA+U,P1,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P,22.0,ABC7D2_aP22_1_2a_2a_14a_4a:Li-Mn-O-P +mp-849351,LiMnP2O7,-7.6452722186,-2.5066936595,0.0598355825,0.0550425317,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Li-Mn-O-P, expected LiMnP3O13 to be LiMnP2O7" +mp-753078,LiMnP2O7,-7.6418854368,-2.5033068777,0.0632223643,0.0584293136,GGA+U,P-1,ABC7D2_aP22_2_ab_i_7i_2i:Li-Mn-O-P,22.0,ABC7D2_aP22_2_ab_i_7i_2i:Li-Mn-O-P +mp-800160,LiMnP2O7,-5.3534672282,-0.214888669,2.351640573,2.3468475222,GGA+U,P-1,ABC7D2_aP22_2_ac_i_7i_2i:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_ac_i_13i_3i:Li-Mn-O-P, expected LiMnP3O13 to be LiMnP2O7" +mp-26379,LiMnP2O7,-7.6945331173,-2.5559545581,0.0105746839,0.0057816331,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_14i_4i:Li-Mn-O-P, expected LiMn(P2O7)2 to be LiMnP2O7" +mp-26179,LiMnP2O7,-7.7025324705,-2.5639539113,0.0025753307,-0.0022177201,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_4i:Li-Mn-O-P, expected LiMnP4O13 to be LiMnP2O7" +mp-25955,LiMnP2O7,-7.6701807555,-2.5316021963,0.0349270457,0.0301339949,GGA+U,P2_1/m,ABC7D2_mP44_11_f_f_6e4f_4e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_11_f_f_12e11f_8e:Li-Mn-O-P, expected LiMnP4O17 to be LiMnP2O7" +mp-26981,LiMnP2O7,-7.560623725,-2.4220451658,0.1444840761,0.1396910254,GGA+U,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_12a_3a:Li-Mn-O-P, expected LiMn(PO4)3 to be LiMnP2O7" +mp-27031,LiMnP2O7,-7.70203767,-2.5634591108,0.0030701311,-0.0017229196,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Li-Mn-O-P,22.0,ABC7D2_mC22_5_a_a_b3c_c:Li-Mn-O-P +mp-776395,LiMnP2O7,-7.6880623691,-2.5494838099,0.017045432,0.0122523813,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_4a_3a_28a_8a:Li-Mn-O-P, expected Li4Mn3(P2O7)4 to be LiMnP2O7" +mp-540033,LiMnP2O7,-7.6727676325,-2.5341890733,0.0323401686,0.0275471179,GGA+U,Pc,ABC7D2_mP44_7_2a_2a_14a_4a:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_7_2a_2a_27a_7a:Li-Mn-O-P, expected Li2Mn2P7O27 to be LiMnP2O7" +mp-1176710,LiMnP2O7,-7.6414014764,-2.5028229172,0.0637063248,0.058913274,GGA+U,Pc,ABC7D2_mP88_7_4a_4a_28a_8a:Li-Mn-O-P,88.0,ABC7D2_mP88_7_8a_8a_56a_16a:Li-Mn-O-P +mp-540193,LiMnP2O7,-7.6593323595,-2.5207538004,0.0457754416,0.0409823908,GGA+U,Cc,ABC7D2_mC44_9_a_a_7a_2a:Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_13a_2a:Li-Mn-O-P, expected LiMnP2O13 to be LiMnP2O7" +mp-697744,LiMnP2O7,-7.6582472502,-2.5196686911,0.0468605509,0.0420675002,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_4e:Li-Mn-O-P, expected LiMn(PO6)4 to be LiMnP2O7" +mp-775933,LiMnP2O7,-7.6943728959,-2.5557943367,0.0107349052,0.0059418545,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Li-Mn-O-P, expected LiMn(PO5)5 to be LiMnP2O7" +mp-776412,LiMnP2O7,-7.6816446918,-2.5430661327,0.0234631093,0.0186700586,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_13e_3e:Li-Mn-O-P, expected LiMnP3O13 to be LiMnP2O7" +mp-759077,LiMnP2O7,-7.6393258586,-2.5007472995,0.0657819425,0.0609888917,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Li-Mn-O-P, expected LiMnP3O25 to be LiMnP2O7" +mp-705357,LiMnP2O7,-7.6813673475,-2.5427887883,0.0237404536,0.0189474029,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Li-Mn-O-P, expected LiMn(PO5)5 to be LiMnP2O7" +mp-26339,LiMnP2O7,-7.6912809995,-2.5527024404,0.0138268016,0.0090337508,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_28e_4e:Li-Mn-O-P, expected LiMn(PO7)4 to be LiMnP2O7" +mp-758076,LiMnP2O7,-7.648018715,-2.5094401558,0.0570890861,0.0522960354,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Li-Mn-O-P, expected LiMnP3O25 to be LiMnP2O7" +mp-758697,LiMnP2O7,-7.685909009299999,-2.5473304502,0.0191987918,0.0144057411,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Li-Mn-O-P, expected LiMnP3O25 to be LiMnP2O7" +mp-849328,LiMnP2O7,-7.6460185968,-2.5074400377,0.0590892043,0.0542961536,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_7e:Li-Mn-O-P, expected LiMnP7O27 to be LiMnP2O7" +mp-782650,LiMnP2O7,-7.6768545839,-2.5382760247,0.0282532173,0.0234601665,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_3e:Li-Mn-O-P, expected LiMn(PO9)3 to be LiMnP2O7" +mp-540415,LiMnP2O7,-7.6784340489,-2.5398554897,0.0266737523,0.0218807015,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_5e:Li-Mn-O-P, expected LiMnP5O26 to be LiMnP2O7" +mp-26397,LiMnP2O7,-7.6879648536,-2.5493862945,0.0171429475,0.0123498967,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Li-Mn-O-P, expected LiMnP4O25 to be LiMnP2O7" +mp-32022,LiMnP2O7,-7.6855154784,-2.5469369192,0.0195923227,0.014799272,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_26e_5e:Li-Mn-O-P, expected LiMnP5O26 to be LiMnP2O7" +mp-1101530,LiMnP2O7,-7.699537812,-2.5609592529,0.0055699891,0.0007769383,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_4e:Li-Mn-O-P, expected LiMnP4O27 to be LiMnP2O7" +mp-31924,LiMnP2O7,-7.7051078011,-2.566529242,0.0,-0.0047930508,GGA+U,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_23f_5f:Li-Mn-O-P, expected LiMnP5O23 to be LiMnP2O7" +mp-25857,Li4Mn5(P3O11)2,-7.860019955,-2.596432533,0.034964707,0.034964707,GGA+U,P2_1/c,A4B5C22D6_mP74_14_2e_a2e_11e_3e:Li-Mn-O-P,74.0,"Invalid WP multiplicities - A4B5C22D6_mP74_14_3e_2a4e_43e_5e:Li-Mn-O-P, expected Li3Mn5P5O43 to be Li4Mn5(P3O11)2" +mp-1013917,LiMn3P3O13,-7.8937698932,-2.3966784178,0.0188880725,0.0188880725,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Li-Mn-O-P, expected LiMn5P3O34 to be LiMn3P3O13" +mp-761549,LiMnPO4,-7.7449434343,-2.5633726471,0.0710932568,0.0629836936,GGA+U,P1,ABC4D_aP14_1_2a_2a_8a_2a:Li-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_5_ab_c_7c_c:Li-Mn-O-P, expected LiMnPO7 to be LiMnPO4" +mp-1172916,LiMnPO4,-7.7730521306,-2.5914813434,0.0429845605,0.0348749973,GGA+U,P1,ABC4D_aP84_1_12a_12a_48a_12a:Li-Mn-O-P,84.0,ABC4D_aP84_1_12a_12a_48a_12a:Li-Mn-O-P +mp-752846,LiMnPO4,-7.7448746811,-2.5633038939,0.07116201,0.0630524468,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P +mp-770763,LiMnPO4,-7.7662503375,-2.5846795503,0.0497863536,0.0416767903,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P +mp-860891,LiMnPO4,-7.76081621,-2.5792454228,0.0552204811,0.0471109178,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_2i_4i_8i_2i:Li-Mn-O-P, expected LiMn2PO4 to be LiMnPO4" +mp-26941,LiMnPO4,-7.7705003971,-2.5889296099,0.0455362939,0.0374267307,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_aP28_2_3i_3i_13i_3i:Li-Mn-O-P, expected Li3Mn3P3O13 to be LiMnPO4" +mp-25831,LiMnPO4,-7.7648785129,-2.5833077257,0.0511581782,0.043048615,GGA+U,P-1,ABC4D_aP14_2_i_i_4i_i:Li-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_i_7i_i:Li-Mn-O-P, expected LiMnPO7 to be LiMnPO4" +mp-690866,LiMnPO4,-7.7666837236,-2.5851129364,0.0493529675,0.0412434043,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_4_3a_3a_15a_2a:Li-Mn-O-P, expected Li3Mn3P2O15 to be LiMnPO4" +mp-1663809,LiMnPO4,-7.7827668364,-2.6011960492,0.0332698546,0.0251602914,GGA+U,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-Mn-O-P,28.0,ABC4D_mP28_4_2a_2a_8a_2a:Li-Mn-O-P +mp-1176605,LiMnPO4,-7.7468237418,-2.5652529546,0.0692129493,0.0611033861,GGA+U,C2,ABC4D_mC28_5_ab_c_4c_c:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_mC28_5_ab_c_7c_c:Li-Mn-O-P, expected LiMnPO7 to be LiMnPO4" +mp-857355,LiMnPO4,-7.7665799768,-2.5850091896,0.0494567143,0.0413471511,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Mn-O-P,28.0,ABC4D_mP28_7_2a_2a_8a_2a:Li-Mn-O-P +mp-861056,LiMnPO4,-7.8042422246,-2.6226714374,0.0117944664,0.0036849032,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Mn-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Li-Mn-O-P +mp-26819,LiMnPO4,-7.7725279971,-2.5909572099,0.0435086939,0.0353991307,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:Li-Mn-O-P,28.0,ABC4D_mP28_7_4a_4a_16a_4a:Li-Mn-O-P +mp-761527,LiMnPO4,-7.80043981,-2.6188690228,0.0155968811,0.0074873178,GGA+U,Cc,ABC4D_mC28_9_2a_2a_8a_2a:Li-Mn-O-P,28.0,ABC4D_mC28_9_a_a_4a_a:Li-Mn-O-P +mp-753207,LiMnPO4,-7.72924067,-2.5476698828,0.0867960211,0.0786864578,GGA+U,Cc,ABC4D_mC28_9_a_a_4a_a:Li-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_9_a_a_8a_a:Li-Mn-O-P, expected LiMnPO8 to be LiMnPO4" +mp-585279,LiMnPO4,-7.6301395,-2.4485687128,0.1858971911,0.1777876278,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Li-Mn-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_16a_13a_64a_15a:Li-Mn-O-P, expected Li16Mn13P15O64 to be LiMnPO4" +mp-504178,LiMnPO4,-7.0785388186,-1.8969680314,0.7374978725,0.7293883093,GGA+U,Cc,ABC4D_mC224_9_8a_8a_32a_8a:Li-Mn-O-P,112.0,"Invalid WP multiplicities - ABC4D_mC224_9_15a_16a_64a_14a:Li-Mn-O-P, expected Li15Mn16(P7O32)2 to be LiMnPO4" +mp-765471,LiMnPO4,-7.7479017232,-2.566330936,0.0681349679,0.0600254046,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_13e_e:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-690868,LiMnPO4,-7.7728039281,-2.5912331409,0.043232763,0.0351231998,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_7e_7e_46e_10e:Li-Mn-O-P, expected Li7Mn7(P5O23)2 to be LiMnPO4" +mp-857348,LiMnPO4,-7.75313863,-2.5715678428,0.0628980611,0.0547884978,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Li-Mn-O-P, expected Li3Mn3P3O31 to be LiMnPO4" +mp-857359,LiMnPO4,-7.7464594521,-2.5648886649,0.0695772389,0.0614676757,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Mn-O-P,28.0,ABC4D_mP28_14_e_e_4e_e:Li-Mn-O-P +mp-860958,LiMnPO4,-7.7395355525,-2.5579647653,0.0765011386,0.0683915753,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_31e_3e:Li-Mn-O-P, expected Li3Mn3P3O31 to be LiMnPO4" +mp-861058,LiMnPO4,-7.7271726398,-2.5456018526,0.0888640513,0.080754488,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Li-Mn-O-P, expected Li3Mn3P3O23 to be LiMnPO4" +mp-860961,LiMnPO4,-7.7508369163,-2.569266129,0.0651997748,0.0570902116,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_23e_3e:Li-Mn-O-P, expected Li3Mn3P3O23 to be LiMnPO4" +mp-861059,LiMnPO4,-7.7291012996,-2.5475305124,0.0869353914,0.0788258282,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_5e_5e_29e_5e:Li-Mn-O-P, expected Li5Mn5P5O29 to be LiMnPO4" +mp-757259,LiMnPO4,-7.7572045615,-2.5756337743,0.0588321295,0.0507225663,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Li-Mn-O-P, expected LiMnPO5 to be LiMnPO4" +mp-757642,LiMnPO4,-7.7559928681,-2.5744220809,0.060043823,0.0519342598,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Li-Mn-O-P, expected Li9Mn9P9O47 to be LiMnPO4" +mp-757568,LiMnPO4,-7.7591413215,-2.5775705343,0.0568953695,0.0487858063,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_47e_9e:Li-Mn-O-P, expected Li9Mn9P9O47 to be LiMnPO4" +mp-757818,LiMnPO4,-7.7254190752,-2.543848288,0.0906176158,0.0825080526,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_mP84_14_9e_9e_45e_9e:Li-Mn-O-P, expected LiMnPO5 to be LiMnPO4" +mp-26121,LiMnPO4,-7.8019490986,-2.6203783114,0.0140875925,0.0059780293,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_14e_e:Li-Mn-O-P, expected LiMnPO14 to be LiMnPO4" +mp-26607,LiMnPO4,-7.7790579371,-2.5974871499,0.0369787539,0.0288691907,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_12e_e:Li-Mn-O-P, expected LiMnPO12 to be LiMnPO4" +mp-757675,LiMnPO4,-7.7330819397,-2.5515111525,0.0829547513,0.0748451881,GGA+U,P2_1/c,ABC4D_mP112_14_4e_4e_16e_4e:Li-Mn-O-P,112.0,"Invalid WP multiplicities - ABC4D_mP112_14_13e_13e_61e_13e:Li-Mn-O-P, expected Li13Mn13P13O61 to be LiMnPO4" +mp-757185,LiMnPO4,-7.7604105825,-2.5788397953,0.0556261086,0.0475165453,GGA+U,C2/c,ABC4D_mC56_15_f_f_4f_f:Li-Mn-O-P,28.0,ABC4D_mC56_15_f_f_4f_f:Li-Mn-O-P +mp-857356,LiMnPO4,-7.8049659673,-2.6233951801,0.0110707238,0.0029611605,GGA+U,Pca2_1,ABC4D_oP56_29_2a_2a_8a_2a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_29_5a_5a_29a_5a:Li-Mn-O-P, expected Li5Mn5P5O29 to be LiMnPO4" +mp-831263,LiMnPO4,-7.7375510825,-2.5559802953,0.0784856086,0.0703760453,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Li-Mn-O-P, expected Li5Mn5P5O29 to be LiMnPO4" +mp-780331,LiMnPO4,-7.7640929479,-2.5825221607,0.0519437432,0.04383418,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-757204,LiMnPO4,-7.7406902143,-2.5591194271,0.0753464768,0.0672369136,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-765470,LiMnPO4,-7.7566450029,-2.5750742157,0.0593916882,0.051282125,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-755485,LiMnPO4,-7.7679146593,-2.5863438721,0.0481220318,0.0400124686,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-857349,LiMnPO4,-7.751194545,-2.5696237578,0.0648421461,0.0567325828,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-857344,LiMnPO4,-7.7196566029,-2.5380858157,0.0963800882,0.088270525,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Li-Mn-O-P,56.0,ABC4D_oP56_33_4a_4a_16a_4a:Li-Mn-O-P +mp-857363,LiMnPO4,-7.8019875114,-2.6204167242,0.0140491796,0.0059396164,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P +mp-861055,LiMnPO4,-7.7568012986,-2.5752305114,0.0592353925,0.0511258293,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-859095,LiMnPO4,-7.7264284475,-2.5448576603,0.0896082436,0.0814986803,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-755784,LiMnPO4,-7.7453723318,-2.5638015446,0.0706643593,0.0625547961,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_13a_a:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-757667,LiMnPO4,-7.7340785673,-2.5525077801,0.0819581238,0.0738485606,GGA+U,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_oP84_33_9a_9a_45a_9a:Li-Mn-O-P, expected LiMnPO5 to be LiMnPO4" +mp-26057,LiMnPO4,-7.8043425421,-2.6227717549,0.0116941489,0.0035845857,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_14a_a:Li-Mn-O-P, expected LiMnPO14 to be LiMnPO4" +mp-1176686,LiMnPO4,-7.7215766991,-2.5400059119,0.094459992,0.0863504287,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Li-Mn-O-P, expected Li5Mn5P5O29 to be LiMnPO4" +mp-757345,LiMnPO4,-7.763322439299999,-2.5817516521,0.0527142518,0.0446046886,GGA+U,Ccc2,ABC4D_oC56_37_d_d_4d_d:Li-Mn-O-P,28.0,ABC4D_oC56_66_g_l_2lm_l:Li-Mn-O-P +mp-753537,LiMnPO4,-7.7369245557,-2.5553537685,0.0791121354,0.0710025721,GGA+U,Ama2,ABC4D_oC28_40_b_a_2bc_b:Li-Mn-O-P,14.0,ABC4D_oC28_40_b_a_2bc_b:Li-Mn-O-P +mp-25971,LiMnPO4,-7.7659704421,-2.5843996549,0.0500662489,0.0419566857,GGA+U,Fdd2,ABC4D_oF56_43_a_a_2b_a:Li-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_oF56_43_a_a_6b_a:Li-Mn-O-P, expected LiMnPO12 to be LiMnPO4" +mp-753381,LiMnPO4,-7.7570231179,-2.5754523307,0.0590135732,0.05090401,GGA+U,Pbcn,ABC4D_oP28_60_c_c_2d_c:Li-Mn-O-P,28.0,ABC4D_oP28_60_c_c_2d_c:Li-Mn-O-P +mp-857350,LiMnPO4,-7.7614894143,-2.5799186271,0.0545472768,0.0464377136,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-857362,LiMnPO4,-7.7358128871,-2.5542420999,0.0802238039,0.0721142407,GGA+U,Pbca,ABC4D_oP56_61_c_c_4c_c:Li-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_13c_c:Li-Mn-O-P, expected LiMnPO13 to be LiMnPO4" +mp-776296,LiMnPO4,-7.778290355,-2.5967195678,0.0377463361,0.0296367728,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-P +mp-18997,LiMnPO4,-7.8160366911,-2.6344659039,0.0,-0.0081095632,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-P +mp-857360,LiMnPO4,-7.7627018943,-2.5811311071,0.0533347968,0.0452252336,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Li-Mn-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Li-Mn-O-P +mp-860890,LiMnPO4,-7.7460119321,-2.5644411449,0.0700247589,0.0619151957,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Li-Mn-O-P +mp-859086,LiMnPO4,-7.7254263332,-2.543855546,0.0906103579,0.0825007946,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_7c2d_c:Li-Mn-O-P, expected LiMnPO11 to be LiMnPO4" +mp-859087,LiMnPO4,-7.7512882104,-2.5697174232,0.0647484807,0.0566389175,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-P,28.0,ABC4D_oP28_62_c_a_2cd_c:Li-Mn-O-P +mp-1663944,LiMnPO4,-7.7929000943,-2.6113293071,0.0231365968,0.0150270336,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_oC28_63_c_a_3f2g_c:Li-Mn-O-P, expected LiMnPO10 to be LiMnPO4" +mp-752589,LiMnPO4,-7.7393423693,-2.5577715821,0.0766943218,0.0685847586,GGA+U,Cmcm,ABC4D_oC28_63_a_c_fg_c:Li-Mn-O-P,28.0,ABC4D_oC28_63_a_c_fg_c:Li-Mn-O-P +mp-26219,LiMnPO4,-7.7954869564,-2.6139161692,0.0205497346,0.0124401714,GGA+U,Cmcm,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-P,28.0,ABC4D_oC28_63_c_a_fg_c:Li-Mn-O-P +mp-753382,LiMnPO4,-7.7414625314,-2.5598917442,0.0745741596,0.0664645964,GGA+U,I-4,ABC4D_tI14_82_a_c_g_b:Li-Mn-O-P,14.0,ABC4D_tI14_82_a_c_g_b:Li-Mn-O-P +mp-753011,LiMnPO4,-7.7967474507,-2.6151766635,0.0192892404,0.0111796771,GGA+U,I-4,ABC4D_tI14_82_a_b_g_c:Li-Mn-O-P,14.0,ABC4D_tI14_82_a_b_g_c:Li-Mn-O-P +mp-26071,LiMnPO4,-7.8038540045,-2.6222832173,0.0121826865,0.0040731233,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:Li-Mn-O-P,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_5b_6b_21b_5b:Li-Mn-O-P, expected Li5Mn6P5O21 to be LiMnPO4" +mp-753624,LiMnPO4,-7.74056665,-2.5589958628,0.0754700411,0.0673604778,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Li-Mn-O-P,14.0,ABC4D_hR42_148_c_c_cf_c:Li-Mn-O-P +mp-772626,LiMnPO4,-7.7445806514,-2.5630098642,0.0714560396,0.0633464764,GGA+U,R-3,ABC4D_hR42_148_c_c_cf_c:Li-Mn-O-P,28.0,ABC4D_hR42_148_c_c_cf_c:Li-Mn-O-P +mp-860970,LiMnPO4,-7.7181253905,-2.5365546033,0.0979113006,0.0898017374,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Mn-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_a4b15c_a4b:Li-Mn-O-P, expected Li3Mn3(PO10)5 to be LiMnPO4" +mp-31940,LiMnPO4,-7.7918330464,-2.6102622592,0.0242036446,0.0160940814,GGA+U,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Mn-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_159_c_c_2a4b14c_2a3b:Li-Mn-O-P, expected Li3Mn3P5O48 to be LiMnPO4" +mp-757809,LiMnPO4,-7.7682502165,-2.5866794293,0.0477864745,0.0396769113,GGA+U,P6_1,ABC4D_hP168_169_4a_4a_16a_4a:Li-Mn-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_169_19a_19a_95a_19a:Li-Mn-O-P, expected LiMnPO5 to be LiMnPO4" +mp-850005,LiMnPO4,-7.7549374003,-2.5733666131,0.0610992908,0.0529897275,GGA+U,P6_5,ABC4D_hP168_170_4a_4a_16a_4a:Li-Mn-O-P,168.0,"Invalid WP multiplicities - ABC4D_hP168_170_17a_21a_89a_17a:Li-Mn-O-P, expected Li17Mn21P17O89 to be LiMnPO4" +mp-753613,LiMnPO4,-7.7711942643,-2.5896234771,0.0448424268,0.0367328636,GGA+U,P6_3,ABC4D_hP14_173_a_b_bc_b:Li-Mn-O-P,28.0,ABC4D_hP14_173_a_b_bc_b:Li-Mn-O-P +mp-780566,LiMnPO4,-7.7469247955,-2.5653540083,0.0691118956,0.0610023324,GGA+U,P6_3,ABC4D_hP42_173_a2b_c_4c_c:Li-Mn-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_a4b_c_21c_c:Li-Mn-O-P, expected Li5Mn3(PO21)3 to be LiMnPO4" +mp-859101,LiMnPO4,-7.7714155152,-2.589844728,0.0446211758,0.0365116126,GGA+U,P6_3,ABC4D_hP42_173_c_a2b_4c_c:Li-Mn-O-P,42.0,"Invalid WP multiplicities - ABC4D_hP42_173_c_a4b_21c_c:Li-Mn-O-P, expected Li3Mn5(PO21)3 to be LiMnPO4" +mp-758010,LiMnPO4,-7.7572439396,-2.5756731524000003,0.0587927515,0.0506831882,GGA+U,P6_3,ABC4D_hP126_173_a2b2c_3c_12c_3c:Li-Mn-O-P,126.0,"Invalid WP multiplicities - ABC4D_hP126_173_a4b9c_15c_65c_15c:Li-Mn-O-P, expected Li32Mn45(P3O13)15 to be LiMnPO4" +mp-860939,LiMnPO4,-7.7492186648,-2.5676478776,0.0668180263,0.0587084631,GGA+U,P6_222,ABC4D_hP21_180_a_d_k_c:Li-Mn-O-P,42.0,ABC4D_hP21_180_a_d_k_c:Li-Mn-O-P +mp-757239,LiMnPO4,-7.7361084419,-2.5545376547,0.0799282492,0.0718186859,GGA+U,P6_422,ABC4D_hP84_181_adf_gi_4k_hj:Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC4D_hP84_181_a3d4f_3g2i_37k_6h5j:Li-Mn-O-P, expected Li6Mn5P11O74 to be LiMnPO4" +mp-765442,LiMnPO4,-7.7165342857,-2.5349634985,0.0995024054,0.0913928421,GGA+U,P2_13,ABC4D_cP28_198_a_a_ab_a:Li-Mn-O-P,28.0,"Invalid WP multiplicities - ABC4D_cP28_198_a_a_4a5b_a:Li-Mn-O-P, expected LiMnPO19 to be LiMnPO4" +mp-776632,LiMn4(P2O7)3,-7.950294744,-2.4841303061,0.0446438356,0.0446438356,GGA+U,P2_1/c,AB4C21D6_mP128_14_e_4e_21e_6e:Li-Mn-O-P,128.0,"Invalid WP multiplicities - AB4C21D6_mP128_14_e_7e_81e_21e:Li-Mn-O-P, expected LiMn7(P7O27)3 to be LiMn4(P2O7)3" +mp-1177915,Li2Mn3P5O18,-7.7519508888,-2.4872794264,0.0528318971,0.0528318971,GGA+U,C2/c,A2B3C18D5_mC112_15_f_af_9f_e2f:Li-Mn-O-P,56.0,"Invalid WP multiplicities - A2B3C18D5_mC112_15_f_cf_31f_e3f:Li-Mn-O-P, expected Li2Mn3P7O62 to be Li2Mn3P5O18" +mp-757726,Li7Mn4P9O32,-7.4936074658,-2.5508328013,0.0462887342,0.0462887342,GGA+U,P-42_1c,A7B4C32D9_tP104_114_ade_e_8e_b2e:Li-Mn-O-P,104.0,"Invalid WP multiplicities - A7B4C32D9_tP104_114_2a2d2e_e_49e_2b14e:Li-Mn-O-P, expected Li7Mn2P29O98 to be Li7Mn4P9O32" +mp-849607,Li5Mn4(P2O7)4,-7.6162494339,-2.5494410012,0.0453067095,0.0453067095,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-849726,Li5Mn4(P2O7)4,-7.6177655963,-2.5509571637,0.0437905471,0.0437905471,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177128,Li5Mn4(P2O7)4,-7.6148646754,-2.5480562428,0.0466914679,0.0466914679,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177149,Li5Mn4(P2O7)4,-7.624260539,-2.5574521063,0.0372956044,0.0372956044,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177157,Li5Mn4(P2O7)4,-7.6195485282,-2.5527400956,0.0420076152,0.0420076152,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177173,Li5Mn4(P2O7)4,-7.6194707946,-2.5526623619,0.0420853488,0.0420853488,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177392,Li5Mn4(P2O7)4,-7.6231552149,-2.5563467822,0.0384009285,0.0384009285,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-1177416,Li5Mn4(P2O7)4,-7.616579107,-2.5497706743,0.0449770364,0.0449770364,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-849659,Li5Mn4(P2O7)4,-7.6061600526,-2.5393516199,0.0553960908,0.0553960908,GGA+U,P1,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P,90.0,A5B4C28D8_aP90_1_10a_8a_56a_16a:Li-Mn-O-P +mp-758642,LiMn3(P3O10)2,-7.8429583625,-2.4826730956,0.0404155084,0.0404155084,GGA+U,C222_1,AB3C20D6_oC120_20_a_a2b_10c_3c:Li-Mn-O-P,60.0,"Invalid WP multiplicities - AB3C20D6_oC120_20_a_2a4b_19c_5c:Li-Mn-O-P, expected LiMn6(P5O19)2 to be LiMn3(P3O10)2" +mp-780658,LiMn3(P3O10)2,-7.8266638163,-2.4663785494,0.0567100546,0.0567100546,GGA+U,Aea2,AB3C20D6_oC120_41_a_ab_10b_3b:Li-Mn-O-P,60.0,"Invalid WP multiplicities - AB3C20D6_oC120_41_a_2ab_15b_5b:Li-Mn-O-P, expected LiMn4(PO3)10 to be LiMn3(P3O10)2" +mp-759188,LiMn5P3O13,-8.294368373,-2.4641020051,0.0595973183,0.0595973183,GGA+U,P-1,AB5C13D3_aP44_2_i_5i_13i_3i:Li-Mn-O-P,44.0,"Invalid WP multiplicities - AB5C13D3_aP44_2_i_9i_25i_5i:Li-Mn-O-P, expected LiMn9(PO5)5 to be LiMn5P3O13" +mp-759036,LiMn5P3O13,-8.2568628714,-2.4265965035,0.0971028199,0.0971028199,GGA+U,P6_3,AB5C13D3_hP44_173_a_2bc_a4c_c:Li-Mn-O-P,44.0,"Invalid WP multiplicities - AB5C13D3_hP44_173_a_4b3c_a21c_c:Li-Mn-O-P, expected LiMn13P3O64 to be LiMn5P3O13" +mp-759206,LiMn10(PO4)7,-8.3550819898,-2.4870498757,0.0738740771,0.0738740771,GGA+U,R3c,AB10C28D7_hR276_161_a_a3b_a9b_a2b:Li-Mn-O-P,92.0,"Invalid WP multiplicities - AB10C28D7_hR276_161_a_2a13b_2a50b_2a8b:Li-Mn-O-P, expected LiMn41(P13O76)2 to be LiMn10(PO4)7" +mp-31961,LiMn2(PO3)5,-7.864791123,-2.5821912686,0.0378492782,0.0378492782,GGA+U,Pc,AB2C15D5_mP46_7_a_2a_15a_5a:Li-Mn-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_7_a_4a_30a_8a:Li-Mn-O-P, expected LiMn4(P4O15)2 to be LiMn2(PO3)5" +mp-759219,LiMn2(PO3)5,-7.8221478974,-2.5395480429,0.0804925038,0.0804925038,GGA+U,Cc,AB2C15D5_mC92_9_a_2a_15a_5a:Li-Mn-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mC92_9_a_2a_18a_8a:Li-Mn-O-P, expected LiMn2(P4O9)2 to be LiMn2(PO3)5" +mp-759040,LiMn2(PO3)5,-7.8519032515,-2.569303397,0.0507371497,0.0507371497,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Li-Mn-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_5e12f_e4f:Li-Mn-O-P, expected LiMn2P9O29 to be LiMn2(PO3)5" +mp-757328,Li7Mn2P7O24,-7.2923507946,-2.5848473629,0.0567103777,0.0567103777,GGA+U,P2/c,A7B2C24D7_mP80_13_e3g_g_12g_f3g:Li-Mn-O-P,80.0,"Invalid WP multiplicities - A7B2C24D7_mP80_13_e10g_g_41g_f5g:Li-Mn-O-P, expected Li21Mn2P11O82 to be Li7Mn2P7O24" +mp-781754,Li3Mn2(P2O7)2,-7.6155106596,-2.6173519131000003,0.0043873764,0.0043873764,GGA+U,P1,A3B2C14D4_aP23_1_3a_2a_14a_4a:Li-Mn-O-P,23.0,A3B2C14D4_aP23_1_3a_2a_14a_4a:Li-Mn-O-P +mp-849996,Li3Mn2(P2O7)2,-7.5914021624,-2.5932434159,0.0284958736,0.0284958736,GGA+U,P1,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P,92.0,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P +mp-849650,Li3Mn2(P2O7)2,-7.5917904976,-2.5936317512,0.0281075384,0.0281075384,GGA+U,P1,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P,92.0,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P +mp-849655,Li3Mn2(P2O7)2,-7.5904351162,-2.5922763697,0.0294629198,0.0294629198,GGA+U,P1,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P,92.0,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P +mp-1177664,Li3Mn2(P2O7)2,-7.5899898175,-2.5918310711,0.0299082185,0.0299082185,GGA+U,P1,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P,92.0,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P +mp-1177698,Li3Mn2(P2O7)2,-7.5966410848,-2.5984823383,0.0232569512,0.0232569512,GGA+U,P1,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P,92.0,A3B2C14D4_aP92_1_12a_8a_56a_16a:Li-Mn-O-P +mp-849745,Li3Mn2(P2O7)2,-7.5889374897,-2.5907787432,0.0309605463,0.0309605463,GGA+U,P-1,A3B2C14D4_aP92_2_6i_4i_28i_8i:Li-Mn-O-P,92.0,"Invalid WP multiplicities - A3B2C14D4_aP92_2_11i_7i_55i_15i:Li-Mn-O-P, expected Li11Mn7(P3O11)5 to be Li3Mn2(P2O7)2" +mp-849644,Li3Mn2(P2O7)2,-7.5719361598,-2.5737774133,0.0479618762,0.0479618762,GGA+U,Pc,A3B2C14D4_mP92_7_6a_4a_28a_8a:Li-Mn-O-P,92.0,A3B2C14D4_mP92_7_12a_8a_56a_16a:Li-Mn-O-P +mp-753725,Li3Mn2(P2O7)2,-7.5890074205,-2.5908486741,0.0308906154,0.0308906154,GGA+U,Pc,A3B2C14D4_mP92_7_6a_4a_28a_8a:Li-Mn-O-P,92.0,A3B2C14D4_mP92_7_12a_8a_56a_16a:Li-Mn-O-P +mp-849221,LiMn2PO6,-7.8190330265,-2.286394204,0.0997353695,0.0997353695,GGA+U,Pnma,AB2C6D_oP40_62_c_2c_2c2d_c:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB2C6D_oP40_62_c_5c_6c7d_c:Li-Mn-O-P, expected LiMn5PO20 to be LiMn2PO6" +mp-849626,Li3Mn4(P2O7)4,-7.663119702899999,-2.4494328718,0.074847432,0.074847432,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-1177764,Li3Mn4(P2O7)4,-7.6645236809,-2.4508368498,0.073443454,0.073443454,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-1177785,Li3Mn4(P2O7)4,-7.6629507972,-2.4492639661,0.0750163377,0.0750163377,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-1177888,Li3Mn4(P2O7)4,-7.6594581387,-2.4457713076,0.0785089962,0.0785089962,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-777776,Li3Mn4(P2O7)4,-7.6537551371,-2.440068306,0.0842119978,0.0842119978,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-849717,Li3Mn4(P2O7)4,-7.6557498969,-2.4420630658,0.082217238,0.082217238,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-849756,Li3Mn4(P2O7)4,-7.6536002555,-2.4399134244000003,0.0843668794,0.0843668794,GGA+U,P1,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P,86.0,A3B4C28D8_aP86_1_6a_8a_56a_16a:Li-Mn-O-P +mp-849621,Li3Mn4(P2O7)4,-7.3449437908,-2.1312569597,0.3930233441,0.3930233441,GGA+U,Pc,A3B4C28D8_mP86_7_3a_4a_28a_8a:Li-Mn-O-P,86.0,A3B4C28D8_mP86_7_6a_8a_56a_16a:Li-Mn-O-P +mp-759021,Li2Mn2P2O9,-7.5932044287,-2.4272924465,0.0798179822,0.0798179822,GGA+U,Pnma,A2B2C9D2_oP60_62_2c_ac_5c2d_2c:Li-Mn-O-P,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_5c_2a2c_19c6d_5c:Li-Mn-O-P, expected Li5Mn4P5O31 to be Li2Mn2P2O9" +mp-867571,Li2Mn2P2O9,-7.6007764203,-2.4348644382,0.0722459905,0.0722459905,GGA+U,Pnma,A2B2C9D2_oP60_62_2c_ac_5c2d_2c:Li-Mn-O-P,60.0,"Invalid WP multiplicities - A2B2C9D2_oP60_62_5c_2a2c_19c6d_5c:Li-Mn-O-P, expected Li5Mn4P5O31 to be Li2Mn2P2O9" +mp-778041,Li9Mn7(PO4)12,-7.4842192942,-2.4353363855,0.0341138653,0.0341138653,GGA+U,P1,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-P,76.0,A9B7C48D12_aP76_1_9a_7a_48a_12a:Li-Mn-O-P +mp-1101573,LiMn4P7O24,-7.9120339286,-2.4906275216,0.0191539188,0.0191539188,GGA+U,P-1,AB4C24D7_aP72_2_i_4i_24i_7i:Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB4C24D7_aP72_2_i_7i_47i_13i:Li-Mn-O-P, expected LiMn7P13O47 to be LiMn4P7O24" +mp-759308,Li2Mn2(PO4)3,-7.6160818755,-2.4717635401,0.0125676253,0.0125676253,GGA+U,P-1,A2B2C12D3_aP38_2_2i_2i_12i_3i:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_aP38_2_3i_3i_23i_5i:Li-Mn-O-P, expected Li3Mn3P5O23 to be Li2Mn2(PO4)3" +mp-774345,Li2Mn2(PO4)3,-7.6051634295,-2.4608450941,0.0234860714,0.0234860714,GGA+U,P-1,A2B2C12D3_aP38_2_2i_2i_12i_3i:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_aP38_2_3i_3i_23i_5i:Li-Mn-O-P, expected Li3Mn3P5O23 to be Li2Mn2(PO4)3" +mp-778246,Li2Mn2(PO4)3,-7.6007857539,-2.4564674186,0.0278637469,0.0278637469,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Li-Mn-O-P,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_23f_ef:Li-Mn-O-P, expected Li2Mn2P3O46 to be Li2Mn2(PO4)3" +mp-1177925,Li2Mn2(PO4)3,-7.6119249388,-2.4676066034,0.016724562,0.016724562,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Li-Mn-O-P,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_cd:Li-Mn-O-P, expected Li2Mn2(PO14)3 to be Li2Mn2(PO4)3" +mp-867845,Li3MnP2O9,-7.0864977313,-2.4041252442,0.0498741858,0.0498741858,GGA+U,P1,A3BC9D2_aP30_1_6a_2a_18a_4a:Li-Mn-O-P,30.0,A3BC9D2_aP30_1_6a_2a_18a_4a:Li-Mn-O-P +mp-1177609,Li3Mn5(PO4)6,-7.7961989928,-2.4610098041,0.0476859416,0.0476859416,GGA+U,C2/c,A3B5C24D6_mC152_15_ef_c2ef_12f_2e2f:Li-Mn-O-P,76.0,"Invalid WP multiplicities - A3B5C24D6_mC152_15_2e3f_2a4e4f_45f_4e7f:Li-Mn-O-P, expected Li4Mn7(PO5)9 to be Li3Mn5(PO4)6" +mp-780778,Li2Mn7(P2O7)4,-8.1424379461,-2.5920900184,0.0146024634,0.0146024634,GGA+U,C222_1,A2B7C28D8_oC180_20_c_2ab2c_14c_4c:Li-Mn-O-P,90.0,"Invalid WP multiplicities - A2B7C28D8_oC180_20_c_2a4b7c_45c_13c:Li-Mn-O-P, expected LiMn10P13O45 to be Li2Mn7(P2O7)4" +mp-26065,LiMn6PO12,-8.2727006618,-2.1899715787,0.0104348179,0.0104348179,GGA+U,I4_1/acd,AB6C12D_tI160_142_b_cef_3g_a:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB6C12D_tI160_142_b_6c7e5f_13g_a:Li-Mn-O-P, expected LiMn36PO52 to be LiMn6PO12" +mp-26035,Li9Mn3P8O29,-7.3544546068,-2.6314598241,0.0,-0.0006669056,GGA+U,C2/c,A9B3C29D8_mC196_15_a4f_ef_e14f_4f:Li-Mn-O-P,98.0,"Invalid WP multiplicities - A9B3C29D8_mC196_15_2c14f_e2f_2e52f_12f:Li-Mn-O-P, expected Li30Mn5(P12O53)2 to be Li9Mn3P8O29" +mp-33326,Li3MnP2,-4.8117523113,-0.5258541603,0.1439712371,0.1439712371,GGA,P222_1,A3BC2_oP48_17_2a2b4e_2a2b_2c2d2e:Li-Mn-P,48.0,"Invalid WP multiplicities - A3BC2_oP48_17_4a4b12e_4a4b_4c4d8e:Li-Mn-P, expected Li4MnP3 to be Li3MnP2" +mp-1222455,Li3MnP2,-4.7627858817,-0.4768877308,0.1929376667,0.1929376667,GGA,P-4m2,A3BC2_tP6_115_abc_d_g:Li-Mn-P,6.0,A3BC2_tP6_115_abc_d_g:Li-Mn-P +mp-37334,Li3MnP2,-4.7605068942,-0.4746087433,0.1952166542,0.1952166542,GGA,P4_2/nmc,A3BC2_tP12_137_ac_b_d:Li-Mn-P,12.0,"Invalid WP multiplicities - A3BC2_tP12_137_2a3c_b_d:Li-Mn-P, expected Li8MnP2 to be Li3MnP2" +mp-772041,Li2Mn3(PO4)3,-7.8583324992,-2.513129316,0.0639705035,0.0639705035,GGA+U,C2,A2B3C12D3_mC80_5_abc_3c_12c_ab2c:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_5_abc_6c_22c_ab2c:Li-Mn-O-P, expected Li2Mn6P3O22 to be Li2Mn3(PO4)3" +mp-778864,Li2Mn3(PO4)3,-7.8831692412,-2.5379660580000003,0.0391337615,0.0391337615,GGA+U,C2/c,A2B3C12D3_mC80_15_ae_ef_6f_ef:Li-Mn-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_ae_e2f_11f_e2f:Li-Mn-O-P, expected Li2Mn5P5O22 to be Li2Mn3(PO4)3" +mp-755112,Li5Mn3(PO4)4,-7.538179708599999,-2.6156479366000003,0.0120329936,0.0120329936,GGA+U,Pm,A5B3C16D4_mP28_6_a2c_a2b_4a4b4c_2a2b:Li-Mn-O-P,28.0,A5B3C16D4_mP28_6_a2c_a2b_4a4b4c_2a2b:Li-Mn-O-P +mp-585250,LiMn4(PO4)3,-8.2449905245,-2.53713272,0.0409510214,0.0409510214,GGA+U,P-1,AB4C12D3_aP40_2_i_4i_12i_3i:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_aP40_2_i_7i_24i_6i:Li-Mn-O-P, expected LiMn7(PO4)6 to be LiMn4(PO4)3" +mp-759264,LiMn4(PO4)3,-8.2299789476,-2.5221211431,0.0559625982,0.0559625982,GGA+U,Pm,AB4C12D3_mP80_6_3ab_2a2b6c_12a12b12c_6a6b:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_mP80_6_3ab_2a2b9c_12a12b20c_6a6b:Li-Mn-O-P, expected Li2Mn11(P3O16)2 to be LiMn4(PO4)3" +mp-25969,LiMn4(PO4)3,-8.2416846975,-2.533826893,0.0442568484,0.0442568484,GGA+U,Cc,AB4C12D3_mC80_9_a_4a_12a_3a:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_mC80_9_a_6a_24a_3a:Li-Mn-O-P, expected LiMn6(PO8)3 to be LiMn4(PO4)3" +mp-849281,LiMn4(PO4)3,-8.2213807675,-2.513522963,0.0645607784,0.0645607784,GGA+U,C2/c,AB4C12D3_mC80_15_e_2ef_6f_ef:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_mC80_15_e_4e2f_21f_e2f:Li-Mn-O-P, expected LiMn8P5O42 to be LiMn4(PO4)3" +mp-729170,LiMn4(PO4)3,-8.2377697648,-2.5299119603,0.0481717811,0.0481717811,GGA+U,Fdd2,AB4C12D3_oF160_43_a_2ab_6b_ab:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_tI80_122_a_c2d_17e_2bd:Li-Mn-O-P, expected LiMn6(PO17)4 to be LiMn4(PO4)3" +mp-780784,LiMn4(PO4)3,-8.2293454817,-2.5214876773,0.0565960641,0.0565960641,GGA+U,Pccn,AB4C12D3_oP80_56_c_2e_6e_de:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_56_c_5e_21e_2d3e:Li-Mn-O-P, expected LiMn10(P4O21)2 to be LiMn4(PO4)3" +mp-27085,LiMn4(PO4)3,-8.2436091562,-2.5357513518,0.0423323896,0.0423323896,GGA+U,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_58_g_5g2h_23g12h_10g:Li-Mn-O-P, expected LiMn9P10O47 to be LiMn4(PO4)3" +mp-26393,LiMn4(PO4)3,-8.2600146228,-2.5521568183000003,0.0259269231,0.0259269231,GGA+U,Pnma,AB4C12D3_oP80_62_c_2d_2c5d_cd:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_62_c_7d_6c22d_3c2d:Li-Mn-O-P, expected LiMn14P7O50 to be LiMn4(PO4)3" +mp-831260,LiMn4(PO4)3,-8.2311138044,-2.5232559999,0.0548277415,0.0548277415,GGA+U,Pnma,AB4C12D3_oP80_62_c_2cd_6c3d_3c:Li-Mn-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_62_c_6c3d_22c11d_9c:Li-Mn-O-P, expected LiMn12P9O44 to be LiMn4(PO4)3" +mp-585189,LiMn4(PO4)3,-8.2383046975,-2.530446893,0.0476368484,0.0476368484,GGA+U,I-42d,AB4C12D3_tI80_122_a_cd_3e_bd:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_tI80_122_a_2c3d_15e_2b2d:Li-Mn-O-P, expected LiMn10(PO10)6 to be LiMn4(PO4)3" +mp-31931,LiMn4(PO4)3,-8.244194538,-2.5363367335,0.0417470079,0.0417470079,GGA+U,R3c,AB4C12D3_hR120_161_a_ab_4b_b:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_hR120_161_a_2a2b_18b_b:Li-Mn-O-P, expected LiMn8(PO18)3 to be LiMn4(PO4)3" +mp-850993,LiMn4(PO4)3,-8.2240537718,-2.5161959673,0.0618877741,0.0618877741,GGA+U,P6_3,AB4C12D3_hP40_173_b_bc_4c_c:Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB4C12D3_hP40_173_b_2b3c_22c_c:Li-Mn-O-P, expected LiMn11(PO22)3 to be LiMn4(PO4)3" +mp-504387,Li6Mn5(P2O7)4,-7.6971950624,-2.6104436235,0.040950828,0.040950828,GGA+U,P-1,A6B5C28D8_aP94_2_ab5i_5i_28i_8i:Li-Mn-O-P,94.0,"Invalid WP multiplicities - A6B5C28D8_aP94_2_ab9i_9i_55i_16i:Li-Mn-O-P, expected Li10Mn9P16O55 to be Li6Mn5(P2O7)4" +mp-773009,Li5Mn5(PO4)6,-7.674905091,-2.5110292184,0.0613211195,0.0613211195,GGA+U,P1,A5B5C24D6_aP40_1_5a_5a_24a_6a:Li-Mn-O-P,40.0,A5B5C24D6_aP40_1_5a_5a_24a_6a:Li-Mn-O-P +mp-734433,Cd4NiH20(ClO)10,-4.5445749299,-1.3161644781,0.0082775879,0.0082775879,GGA+U,P2_1/c,A4B10C20DE10_mP90_14_2e_5e_10e_a_5e:Cd-Cl-H-Ni-O,90.0,A4B10C20DE10_mP90_14_2e_5e_10e_a_5e:Cd-Cl-H-Ni-O +mp-1194501,CdH3Cl3O,-3.9155973081,-1.2164264848,0.0592282144,0.0592282144,GGA,Pnma,AB3C3D_oP32_62_c_3c_cd_c:Cd-Cl-H-O,32.0,AB3C3D_oP32_62_c_3c_cd_c:Cd-Cl-H-O +mp-1182834,Cd2Ni(ClO2)6,-4.0180971055,-0.3001256438,0.438507416,0.438507416,GGA+U,Fdd2,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Ni-O,42.0,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Ni-O +mp-1205211,Cd2Ni(ClO2)6,-3.2895824845,0.4283889771,1.167022037,1.167022037,GGA+U,Fdd2,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Ni-O,42.0,A2B6CD12_oF168_43_b_3b_a_6b:Cd-Cl-Ni-O +mp-721610,CdNi2H24(ClO2)6,-4.9111690654,-1.2587230056,0.0082504961,0.0082504961,GGA+U,P3,AB6C24D2E12_hP90_143_ab_4d_16d_ab2c_8d:Cd-Cl-H-Ni-O,90.0,AB6C24D2E12_hP90_143_ab_4d_16d_ab2c_8d:Cd-Cl-H-Ni-O +mp-24015,Cd2H3ClO3,-4.5724619867000005,-1.3821774924,0.0,-0.0149962561,GGA,Pnma,A2BC3D3_oP36_62_ac_c_cd_cd:Cd-Cl-H-O,36.0,A2BC3D3_oP36_62_ac_c_cd_cd:Cd-Cl-H-O +mp-644222,CdHClO,-4.1965990888,-1.4188887947,0.0,-0.0082475579,GGA,P6_3mc,ABCD_hP8_186_b_b_a_a:Cd-Cl-H-O,8.0,ABCD_hP8_186_b_b_a_a:Cd-Cl-H-O +mp-1210330,Na4Zr2Ge5HO16,-6.9209018041,-2.348030835,0.0985312402,0.0985312402,GGA,P2/c,A5BC4D16E2_mP56_13_e2g_f_2g_8g_g:Ge-H-Na-O-Zr,56.0,A5BC4D16E2_mP56_13_e2g_f_2g_8g_g:Ge-H-Na-O-Zr +mp-1202119,YbCrMo6(H17O19)2,-6.2748781249,-1.5299604628,0.0552681914,0.0552681914,GGA+U,P-1,AB34C6D38E_aP160_2_ae_34i_6i_38i_i:Cr-H-Mo-O-Yb,,AB34C6D38E_aP160_2_ae_34i_6i_38i_i:Cr-H-Mo-O-Yb +mp-1204862,Ba4Ga2Fe(S3F2)2,-5.5032428038,-2.2875529164,0.1546353074,0.1546353074,GGA+U,Pnma,A4B4CD2E6_oP68_62_2d_2d_c_2c_2c2d:Ba-F-Fe-Ga-S,68.0,A4B4CD2E6_oP68_62_2d_2d_c_2c_2c2d:Ba-F-Fe-Ga-S +mp-557161,Ba4Fe3(S3F2)2,-6.055645331,-2.199728951,0.1461562075,0.1461562075,GGA+U,Pnma,A4B4C3D6_oP68_62_2d_2d_3c_2c2d:Ba-F-Fe-S,68.0,"Invalid WP multiplicities - A4B4C3D6_oP68_62_11d_5d_9c_7c12d:Ba-F-Fe-S, expected Ba22Fe9S31F10 to be Ba4Fe3(S3F2)2" +mp-1234008,Sr4Y2Mg(RuO6)2,-7.4500203405,-2.726198164,0.1599831399,0.1599831399,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y +mp-1234668,Sr4Y2Mg(RuO6)2,-7.4250971038,-2.7012749274,0.1849063766,0.1849063766,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y +mp-2216430,Sr4Y2Mg(RuO6)2,-7.4345698257,-2.7107476493,0.1754336547,0.1754336547,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Ru-Sr-Y +mp-1200831,AlH6C2SeCl3,-4.7271723115,-0.7578811929,0.0,-0.0062585835,GGA,Pbcm,AB2C3D6E_oP52_57_d_e_de_3e_d:Al-C-Cl-H-Se,52.0,AB2C3D6E_oP52_57_d_e_de_3e_d:Al-C-Cl-H-Se +mp-1228897,Ba10Nd4Y(MoO6)5,-7.9527062058,-3.0055517632,0.0,-0.0054916884,GGA+U,P-1,A10B5C4D30E_aP50_2_5i_b2i_2i_15i_e:Ba-Mo-Nd-O-Y,50.0,"Invalid WP multiplicities - A10B5C4D30E_aP50_2_10i_b3i_3i_30i_e:Ba-Mo-Nd-O-Y, expected Ba20Nd6YMo7O60 to be Ba10Nd4Y(MoO6)5" +mp-1220215,NdY3(Mo4O15)2,-8.6834221117,-2.5088168024,0.0146646003,0.0146646003,GGA+U,P1,A8BC30D3_aP42_1_8a_a_30a_3a:Mo-Nd-O-Y,42.0,A8BC30D3_aP42_1_8a_a_30a_3a:Mo-Nd-O-Y +mp-1228132,Ba6Nd2Y(MoO6)3,-7.9808973597,-3.0110986013,0.0,-0.0020231908,GGA+U,C2/m,A6B3C2D18E_mC60_12_hj_ai_i_g6ij_b:Ba-Mo-Nd-O-Y,30.0,"Invalid WP multiplicities - A6B3C2D18E_mC60_12_2h3j_ai_i_2g11i3j_b:Ba-Mo-Nd-O-Y, expected Ba16Nd2YMo3O38 to be Ba6Nd2Y(MoO6)3" +mp-735600,SrCo2H2(SeO3)4,-5.9556387662,-1.3825201196,0.1607896487,0.1607896487,GGA+U,P2/c,A2B2C12D4E_mP84_13_2g_2g_12g_4g_ef:Co-H-O-Se-Sr,84.0,A2B2C12D4E_mP84_13_2g_2g_12g_4g_ef:Co-H-O-Se-Sr +mp-1517878,NaLaEuWO6,-8.694236715,-2.7788570454,0.1328273144,0.1328273144,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-La-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-La-Na-O-W +mp-1201615,Gd4BClO7,-11.312886884,-3.6621762402,0.0,-0.0147880989,GGA,P2_1/c,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Gd-O,52.0,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Gd-O +mp-1214653,Ba3Gd(BO2)9,-8.5752143532,-3.123989521,0.0098111498,0.0098111498,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Gd-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Gd-O +mp-29084,Ba2GdCl7,-5.9579942095,-2.8726113355000003,0.0,-0.0112853225,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Gd,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Gd +mp-866304,Ba2GdB2ClO6,-8.5361046525,-3.3026442701,0.0,-0.0138336889,GGA,P2_1/m,A2B2CDE6_mP24_11_2e_2e_e_e_2e2f:B-Ba-Cl-Gd-O,24.0,A2B2CDE6_mP24_11_2e_2e_e_e_2e2f:B-Ba-Cl-Gd-O +mp-29538,BaGdCl5,-6.4193317379,-2.8139345264,0.0096327596,0.0096327596,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-Cl-Gd,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_e3f_e:Ba-Cl-Gd, expected BaGdCl7 to be BaGdCl5" +mp-560504,Rb2Sb2OF10,-5.1199517367,-2.8345818026,0.0,-0.0212019579,GGA,P2_1/c,A10BC2D2_mP60_14_10e_e_2e_2e:F-O-Rb-Sb,60.0,"Invalid WP multiplicities - A10BC2D2_mP60_14_37e_e_3e_7e:F-O-Rb-Sb, expected Rb3Sb7OF37 to be Rb2Sb2OF10" +mp-732348,Rb2Na2Sb2O3F10,-4.8294050821,-2.3652483968,0.2583071973,0.2583071973,GGA,P2_1/m,A10B2C3D2E2_mP38_11_5f_f_3e_f_f:F-Na-O-Rb-Sb,38.0,A10B2C3D2E2_mP38_11_5f_f_3e_f_f:F-Na-O-Rb-Sb +mp-989541,Rb2NaSbF6,-4.7747542450000005,-2.8866073967,0.0,-0.0142094862,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-Na-Rb-Sb +mp-14680,Sr2Ga2S5,-5.0012229703,-1.6548420496,0.0124089929,0.0124089929,GGA,Pbca,A2B5C2_oP72_61_2c_5c_2c:Ga-S-Sr,72.0,"Invalid WP multiplicities - A2B5C2_oP72_61_2c_8c_2c:Ga-S-Sr, expected SrGaS4 to be Sr2Ga2S5" +mp-1147755,Ga2Cu(SO)2,-4.2305848829,-0.184631187,1.2737317957,1.2737317957,GGA,I4/mmm,AB2C2D2_tI14_139_a_d_c_e:Cu-Ga-O-S,7.0,AB2C2D2_tI14_139_a_d_c_e:Cu-Ga-O-S +mp-722541,Sr8Ga16S31,-3.7875355676,-0.3294368429,1.1235210968,1.1235210968,GGA,P1,A16B31C8_aP55_1_16a_31a_8a:Ga-S-Sr,55.0,A16B31C8_aP55_1_16a_31a_8a:Ga-S-Sr +mp-532267,Sr8Ga16S31,-4.8876140329,-1.4295153082,0.0234426315,0.0234426315,GGA,P1,A16B31C8_aP55_1_16a_31a_8a:Ga-S-Sr,55.0,A16B31C8_aP55_1_16a_31a_8a:Ga-S-Sr +mp-1104810,Sr(GaS2)2,-4.9160970336,-1.4458848956,0.0134190048,-0.0371359339,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Ga-S-Sr,14.0,A2B4C_oC28_66_l_kl_a:Ga-S-Sr +mp-14425,Sr(GaS2)2,-4.9295160384,-1.4593039004,0.0,-0.0505549387,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:Ga-S-Sr,56.0,A2B4C_oF224_70_2h_4h_abe:Ga-S-Sr +mp-9425,Sr2GaCuSO3,-5.9820192762,-2.2966685763,0.0330095845,0.0330095845,GGA,P4/nmm,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Ga-O-S-Sr,16.0,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Ga-O-S-Sr +mp-684727,CsTaCo(OF2)2,-7.1724192572,-3.0167758028,0.0,-0.049214054,GGA+U,C2,ABC4D2E_mC36_5_c_ab_ab3c_abc_c:Co-Cs-F-O-Ta,18.0,ABC4D2E_mC36_5_c_ab_ab3c_abc_c:Co-Cs-F-O-Ta +mp-1520136,BaNaCeWO6,-8.0709074035,-2.8896222149,0.0548446221,0.0548446221,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ce-Na-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ce-Na-O-W, expected BaNa2CeWO12 to be BaNaCeWO6" +mp-1520354,BaNaCeWO6,-8.027366825,-2.8460816364,0.0983852006,0.0983852006,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Na-O-W +mp-1221083,NaNbWO6,-8.5448851339,-2.5379859305,0.0194811871,0.0194811871,GGA+U,Imma,ABC6D_oI36_74_a_c_2ej_b:Na-Nb-O-W,18.0,"Invalid WP multiplicities - ABC6D_oI36_74_a_c_4e4j_b:Na-Nb-O-W, expected NaNbWO20 to be NaNbWO6" +mp-1221360,Na2Nb2W2O13,-8.2509020689,-2.2998034177,0.1230601673,0.1230601673,GGA+U,Imm2,A2B2C13D2_oI38_44_c_d_2a3b2e_c:Na-Nb-O-W,19.0,"Invalid WP multiplicities - A2B2C13D2_oI38_44_c_d_2a3b4e_c:Na-Nb-O-W, expected Na2Nb2W2O21 to be Na2Nb2W2O13" +mp-1519843,NaNbSnWO6,-7.993784176,-2.1866177074,0.1746502153,0.1746502153,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Na-Nb-O-Sn-W +mp-1221017,NaNbWO7,-7.9838661315,-2.0829879773,0.2187324285,0.2187324285,GGA+U,Imma,ABC7D_oI40_74_a_c_3ej_b:Na-Nb-O-W,20.0,"Invalid WP multiplicities - ABC7D_oI40_74_a_c_5e4j_b:Na-Nb-O-W, expected NaNbWO21 to be NaNbWO7" +mp-1521910,SrEuNbVO6,-9.179145527,-3.0979616639,0.010710734,0.010710734,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-V +mp-1044790,MgSb2P2O9,-7.0198931589,-2.36238702,0.141758816,0.141758816,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Mg-O-P-Sb,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Mg-O-P-Sb, expected MgSb2P2O11 to be MgSb2P2O9" +mp-2217357,MgCrP2O7,-7.7997352182,-2.644575808,0.1182238055,0.1110452677,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Cr-Mg-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Cr-Mg-O-P +mp-1373293,MgCrP2O7,-7.8951978277,-2.7400384175,0.0227611959,0.0155826582,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cr-Mg-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Cr-Mg-O-P +mp-1042039,MgCrP2O7,-7.9179590236,-2.7627996134,0.0,-0.0071785377,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Cr-Mg-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_8i_2i:Cr-Mg-O-P, expected MgCr(PO4)2 to be MgCrP2O7" +mp-2217668,MgCrP2O7,-7.9015746627,-2.7464152525000003,0.0163843609,0.0092058232,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Cr-Mg-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Cr-Mg-O-P, expected MgCrP2O13 to be MgCrP2O7" +mp-2217615,MgCrP2O7,-7.7735450373,-2.6183856271,0.1444139864,0.1372354486,GGA+U,C2,ABC7D2_mC22_5_b_a_a3c_c:Cr-Mg-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_b_a_a6c_c:Cr-Mg-O-P, expected MgCrP2O13 to be MgCrP2O7" +mp-1048266,MgCrP2O7,-7.8989767989,-2.7438173887,0.0189822248,0.011803687,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Mg-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Cr-Mg-O-P, expected MgCrP7O23 to be MgCrP2O7" +mp-754056,Cr3Sb(PO4)4,-8.0407581825,-2.4620759718,0.0750251665,0.0750251665,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cr-O-P-Sb,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cr-O-P-Sb +mp-2232665,MgCr2(PO5)2,-7.90381831,-2.4904938356,0.0590449801,0.0590449801,GGA+U,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P +mp-2232686,MgCr2(PO5)2,-7.7858437933,-2.3725193189,0.1770194967,0.1770194967,GGA+U,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P +mp-2232689,MgCr2(PO5)2,-7.7764161927,-2.3630917183,0.1864470974,0.1864470974,GGA+U,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Cr-Mg-O-P +mp-2232867,MgCr2(PO5)2,-7.8814736253,-2.4681491509,0.0813896647,0.0813896647,GGA+U,P-1,A2BC10D2_aP15_2_ab_c_5i_i:Cr-Mg-O-P,15.0,"Invalid WP multiplicities - A2BC10D2_aP15_2_ab_c_9i_i:Cr-Mg-O-P, expected MgCr2(PO9)2 to be MgCr2(PO5)2" +mp-1044073,MgCr2(PO5)2,-7.870341859,-2.4570173846,0.0925214311,0.0925214311,GGA+U,Fddd,A2BC10D2_oF120_70_c_b_e2h_e:Cr-Mg-O-P,30.0,"Invalid WP multiplicities - A2BC10D2_oF120_70_c_b_2e8h_e:Cr-Mg-O-P, expected MgCr2(PO18)2 to be MgCr2(PO5)2" +mp-2232637,MgCr2(PO5)2,-7.738333286,-2.3250088116,0.2245300041,0.2245300041,GGA+U,P-4,A2BC10D2_tP15_81_g_b_g2h_ac:Cr-Mg-O-P,15.0,"Invalid WP multiplicities - A2BC10D2_tP15_81_g_b_2g4h_ac:Cr-Mg-O-P, expected MgCr2(PO10)2 to be MgCr2(PO5)2" +mp-1233814,MgCr8(PO5)4,-8.4091493745,-2.3663722818,0.1279381921,0.1279381921,GGA+U,Pm,A8BC20D4_mP33_6_2a2b2c_a_6a6b4c_2a2b:Cr-Mg-O-P,33.0,A8BC20D4_mP33_6_2a2b2c_a_6a6b4c_2a2b:Cr-Mg-O-P +mp-1210760,Mg2Cr5(PO4)6,-8.1620502789,-2.6845869935,0.0066320964,0.0066320964,GGA+U,P-1,A5B2C24D6_aP37_2_a2i_i_12i_3i:Cr-Mg-O-P,37.0,A5B2C24D6_aP37_2_a2i_i_12i_3i:Cr-Mg-O-P +mp-1233592,MgCr2Sb2(PO4)4,-7.6638069324,-2.4652226573,0.0670091772,0.0670091772,GGA+U,P-1,A2BC16D4E2_aP25_2_i_a_8i_2i_i:Cr-Mg-O-P-Sb,25.0,"Invalid WP multiplicities - A2BC16D4E2_aP25_2_i_a_15i_3i_i:Cr-Mg-O-P-Sb, expected MgCr2Sb2(PO5)6 to be MgCr2Sb2(PO4)4" +mp-1043704,MgCr3(P2O7)2,-8.0931254027,-2.5719311098,0.0717963177,0.0717963177,GGA+U,P2_1/c,A3BC14D4_mP44_14_ae_b_7e_2e:Cr-Mg-O-P,44.0,A3BC14D4_mP44_14_ae_b_7e_2e:Cr-Mg-O-P +mp-2228722,MgSb2(PO5)2,-7.0527007107,-2.3759157336,0.0935614074,0.0935614074,GGA,P1,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-Sb,15.0,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-Sb +mp-1043471,MgSb2(PO5)2,-6.9937224713,-2.3169374943,0.1525396468,0.1525396468,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Mg-O-P-Sb,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Mg-O-P-Sb, expected MgSb2(PO14)2 to be MgSb2(PO5)2" +mp-1045788,MgCr(PO3)4,-7.8190941381,-2.6931606891,0.0149214736,0.0149214736,GGA+U,C2/c,ABC12D4_mC72_15_c_e_6f_2f:Cr-Mg-O-P,36.0,ABC12D4_mC72_15_c_e_6f_2f:Cr-Mg-O-P +mp-1233391,MgCr4(PO4)4,-8.1575566956,-2.5170487221,0.1142713019,0.1142713019,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-P,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Cr-Mg-O-P +mp-1041149,MgSb3P3O13,-7.022021636,-2.2953144092,0.1644648702,0.1644648702,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Mg-O-P-Sb,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Mg-O-P-Sb, expected MgSb5P3O34 to be MgSb3P3O13" +mp-775202,CrSb3(PO4)6,-7.4588917924,-2.3635860482,0.0334183782,0.0334183782,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cr-O-P-Sb,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cr-O-P-Sb, expected CrSb3(PO10)6 to be CrSb3(PO4)6" +mp-1040886,MgCr2P2O9,-8.1259532055,-2.6792976052,0.0358304621,0.0358304621,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Cr-Mg-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Cr-Mg-O-P, expected MgCr2P2O11 to be MgCr2P2O9" +mp-1040902,MgCr2(PO4)2,-8.0985027315,-2.6133881397,0.0425376825,0.0425376825,GGA+U,C2/c,A2BC8D2_mC104_15_cef_f_8f_2f:Cr-Mg-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mC104_15_2ce2f_f_30f_6f:Cr-Mg-O-P, expected Mg2Cr7(PO5)12 to be MgCr2(PO4)2" +mp-754479,CrSb(PO4)2,-7.7403688996,-2.3918552818,0.0849645817,0.0849645817,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cr-O-P-Sb,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cr-O-P-Sb, expected CrSb(PO5)3 to be CrSb(PO4)2" +mp-1579322,CrSb(PO4)2,-7.7546054942,-2.4060918764,0.0707279871,0.0707279871,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cr-O-P-Sb,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cr-O-P-Sb, expected CrSb(PO5)3 to be CrSb(PO4)2" +mp-773143,Cr3Sb(PO4)6,-7.7570918991,-2.3368422591,0.0469966051,0.0469966051,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Cr-O-P-Sb,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Cr-O-P-Sb, expected Cr3Sb(PO10)6 to be Cr3Sb(PO4)6" +mp-1046666,MgCrPO5,-7.8627901481,-2.6877809503,0.1156563577,0.1156563577,GGA+U,C2/c,ABC5D_mC32_15_a_e_e2f_e:Cr-Mg-O-P,16.0,ABC5D_mC32_15_c_e_e2f_e:Cr-Mg-O-P +mp-778268,Ti3CrSb2(PO4)6,-8.0239970356,-2.6685006436,0.0958058105,0.0958058105,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cr-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Cr-O-P-Sb-Ti, expected Ti3CrSb2(P3O22)3 to be Ti3CrSb2(PO4)6" +mp-774372,Ti3Cr2Sb(PO4)6,-8.2233200014,-2.7143778808,0.0901160898,0.0901160898,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cr-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Cr-O-P-Sb-Ti, expected Ti3Cr2Sb(P3O22)3 to be Ti3Cr2Sb(PO4)6" +mp-776056,Mn3Cr2Sb(PO4)6,-8.0197143847,-2.4052286579,0.0965473334,0.0965473334,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Mn-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Cr-Mn-O-P-Sb, expected Mn3Cr2Sb(P3O22)3 to be Mn3Cr2Sb(PO4)6" +mp-704950,SrFeSn(PO4)3,-7.6441742644,-2.6569932326,0.0015289706,0.0015289706,GGA+U,R-3,AB12C3DE_hR108_148_c_4f_f_c_ab:Fe-O-P-Sn-Sr,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_148_c_20f_f_c_ab:Fe-O-P-Sn-Sr, expected SrFeSn(PO20)3 to be SrFeSn(PO4)3" +mp-761155,Li4Co3Ni3(WO8)2,-7.1431619932,-1.7372928957,0.0613919096,0.0613919096,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-W, expected Li4Co3Ni3(WO10)2 to be Li4Co3Ni3(WO8)2" +mp-1191103,TeC2Se2(BrN2)2,-5.5546410455,0.3584949721,0.6097365343000001,0.6097365343000001,GGA,P-1,A2B2C4D2E_aP22_2_2i_2i_4i_2i_i:Br-C-N-Se-Te,22.0,A2B2C4D2E_aP22_2_2i_2i_4i_2i_i:Br-C-N-Se-Te +mp-28131,C(Se2Br)2,-4.0660291782,-0.3062623121,0.0,-0.0429434268,GGA,Pna2_1,A2BC4_oP28_33_2a_a_4a:Br-C-Se,28.0,A2BC4_oP28_33_2a_a_4a:Br-C-Se +mp-1079732,Te(Br3N)2,-2.6467805556,0.5903823026,1.0791649599,1.0791649599,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Te,9.0,A6B2C_cF36_225_e_c_a:Br-N-Te +mp-1196489,Te(Br3N)2,-2.6395139011,0.5976489570000001,1.0864316143,1.0864316143,GGA,Fd-3c,A6B2C_cF288_228_h_ad_c:Br-N-Te,72.0,A6B2C_cF288_228_h_ad_c:Br-N-Te +mp-1214253,C4SeBr4,-5.1906230106,-0.0103244808,0.399282674,0.399282674,GGA,P2_1/c,A4B4C_mP36_14_4e_4e_e:Br-C-Se,36.0,A4B4C_mP36_14_4e_4e_e:Br-C-Se +mp-1246047,TeCN2,-6.8807707275,0.3804695815,0.3804695815,0.3804695815,GGA,P2_1/m,AB2C_mP8_11_e_2e_e:C-N-Te,8.0,AB2C_mP8_11_e_2e_e:C-N-Te +mp-17493,Be3Cd4Si3SO12,-6.7058335504,-2.5892045884,0.0,-0.0437449766,GGA,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Cd-O-S-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Cd-O-S-Si +mp-1211979,KNb3CuO9,-8.3759455309,-2.6592513067,0.0379999641,0.0379999641,GGA,Pnc2,ABC3D9_oP56_30_2a_c_3c_2b8c:Cu-K-Nb-O,56.0,ABC3D9_oP56_30_2a_c_3c_2b8c:Cu-K-Nb-O +mp-776180,Ti3Mn2Nb(PO4)6,-8.5020355483,-2.8544756654,0.0372462114,0.0372462114,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Mn-Nb-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Mn-Nb-O-P-Ti, expected Ti3Mn2Nb(P3O22)3 to be Ti3Mn2Nb(PO4)6" +mp-755511,Y2Hg2O5,-6.6442021117,-2.3915636102,0.0987891821,0.0987891821,GGA,P-1,A2B5C2_aP18_2_2i_5i_2i:Hg-O-Y,18.0,"Invalid WP multiplicities - A2B5C2_aP18_2_3i_9i_4i:Hg-O-Y, expected Y4(HgO3)3 to be Y2Hg2O5" +mp-769289,Y2Hg2O5,-6.6511318714000005,-2.39849337,0.0918594224,0.0918594224,GGA,Pna2_1,A2B5C2_oP36_33_2a_5a_2a:Hg-O-Y,36.0,"Invalid WP multiplicities - A2B5C2_oP36_33_5a_17a_5a:Hg-O-Y, expected Y5Hg5O17 to be Y2Hg2O5" +mp-756103,Y2HgO4,-7.7365186679,-3.0188933198,0.0005061373,0.0005061373,GGA,C2/m,AB4C2_mC28_12_i_4i_2i:Hg-O-Y,14.0,"Invalid WP multiplicities - AB4C2_mC28_12_i_7i_3i:Hg-O-Y, expected Y3HgO7 to be Y2HgO4" +mp-755634,Y2HgO4,-7.6514679121,-2.933842564,0.085556893,0.085556893,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Hg-O-Y,14.0,AB4C2_cF56_227_a_e_d:Hg-O-Y +mp-1214583,Ba2YCu2HgO7,-6.1996815815,-2.089424991,0.1087286014,0.1087286014,GGA,P4/mmm,A2B2CD7E_tP13_123_g_h_c_ahi_b:Ba-Cu-Hg-O-Y,13.0,A2B2CD7E_tP13_123_g_h_c_ahi_b:Ba-Cu-Hg-O-Y +mp-1519213,KLaHfSnO6,-8.014307035,-3.0449771145,0.0999047497,0.0999047497,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-La-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-La-O-Sn +mp-510380,Mn3CuN,-8.159858752,-0.1755092578,0.0688321462,0.0688321462,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cu-Mn-N,5.0,AB3C_cP5_221_a_c_b:Cu-Mn-N +mp-1070242,Mn3CuN,-6.324723448,1.6596260462,1.9039674502,1.9039674502,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cu-Mn-N,5.0,AB3C_cP5_221_b_c_a:Cu-Mn-N +mp-1247503,Mn2CuN2,-8.056078582,-0.2368331612,0.145707228,0.145707228,GGA,Pmmn,AB2C2_oP10_59_a_e_e:Cu-Mn-N,10.0,AB2C2_oP10_59_a_e_e:Cu-Mn-N +mp-1247448,Mn2CuN2,-8.036446684,-0.2172012632,0.165339126,0.165339126,GGA,R-3m,AB2C2_hR15_166_a_c_c:Cu-Mn-N,5.0,AB2C2_hR15_166_a_c_c:Cu-Mn-N +mp-1246923,Mn5CuN4,-8.4876226065,-0.1620963235,0.2459479027,0.2459479027,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Cu-Mn-N,20.0,AB5C4_oP20_59_a_bg_ef:Cu-Mn-N +mp-1247185,Mn10CuN8,-8.8981674163,-0.3502032589,0.0793169792,0.0793169792,GGA,C2/m,AB10C8_mC38_12_a_5i_4i:Cu-Mn-N,19.0,AB10C8_mC38_12_a_5i_4i:Cu-Mn-N +mp-1222021,Mn2Cu10Sb4S13,-4.9376075417,-0.4684368344,0.0292568829,0.0292568829,GGA,I-42m,A10B2C13D4_tI58_121_dfg_e_aij_i:Cu-Mn-S-Sb,29.0,"Invalid WP multiplicities - A10B2C13D4_tI58_121_2df3g_e_a4i4j_i:Cu-Mn-S-Sb, expected Mn2Cu20Sb4S49 to be Mn2Cu10Sb4S13" +mp-1211931,MnCu8Sb3S13N6,-4.7532871895,0.3478576554,0.7727317199,0.7727317199,GGA,Fm-3c,A8BC6D13E3_cF248_226_g_a_f_bi_c:Cu-Mn-N-S-Sb,62.0,A8BC6D13E3_cF248_226_g_a_f_bi_c:Cu-Mn-N-S-Sb +mp-1045844,YCu3(NiO3)4,-6.3682754280000005,-1.3060303091,0.0128376399,0.0128376399,GGA+U,Im-3,A3B4C12D_cI40_204_b_c_g_a:Cu-Ni-O-Y,20.0,A3B4C12D_cI40_204_b_c_g_a:Cu-Ni-O-Y +mp-1042702,Sr2YCu2NiO7,-6.6912003412,-2.1949827243,0.0802428157,0.0802428157,GGA+U,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ni-O-Sr-Y,26.0,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ni-O-Sr-Y +mp-1521463,KZrSnBiO6,-7.031055521,-2.3122262381,0.1859970268,0.1859970268,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Bi-K-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Bi-K-O-Sn-Zr +mp-771804,Li2SbAsCO7,-6.6470172212000005,-1.9418962338,0.0640408326,0.0640408326,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Li-O-Sb,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-Li-O-Sb, expected Li2SbAsCO13 to be Li2SbAsCO7" +mp-1245908,Ba4PtN4,-5.5525994567,-0.3200424811,0.3814366563,0.3814366563,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ba-N-Pt,18.0,A4B4C_aP18_2_4i_4i_i:Ba-N-Pt +mp-1219638,RbBaN3,-4.2773274375,1.30447132,1.8661509688,1.8661509688,GGA,Fddd,AB3C_oF80_70_e_fh_e:Ba-N-Rb,20.0,"Invalid WP multiplicities - AB3C_oF80_70_e_f2h_e:Ba-N-Rb, expected RbBaN5 to be RbBaN3" +mp-637582,Rb2BaPt2(CN)8,-7.7929609962,-0.3385041836,0.0653965896,0.0653965896,GGA,P4/mmm,AB8C8D2E2_tP21_123_a_r_r_h_e:Ba-C-N-Pt-Rb,21.0,AB8C8D2E2_tP21_123_a_r_r_h_e:Ba-C-N-Pt-Rb +mp-605646,RbBa2N15,-7.6829374514,-0.4681647943,0.0075478756,0.0075478756,GGA,P2/c,A2B15C_mP36_13_g_ad3e5g_f:Ba-N-Rb,36.0,"Invalid WP multiplicities - A2B15C_mP36_13_g_2a2d6e17g_f:Ba-N-Rb, expected RbBa2N44 to be RbBa2N15" +mp-1190470,Gd2CoTe2(SO7)2,-7.9604632543,-2.2902863137,0.0,-0.0695212401,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Gd-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Gd-O-S-Te +mp-1195532,Na2Tm2B2TeO10,-7.434284485,-2.8715963685,0.0,-0.0249925944,GGA,P2_1/c,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Tm,34.0,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Tm +mp-1211137,LiNd(WO4)2,-8.6568321675,-2.6429287967,0.0,-0.0061327923,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Li-Nd-O-W,24.0,ABC8D2_aP24_2_i_i_8i_2i:Li-Nd-O-W +mp-1222323,LiNd(WO4)2,-8.5916397308,-2.5777363601000003,0.0651924367,0.0590596443,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:Li-Nd-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:Li-Nd-O-W, expected LiNd(WO6)2 to be LiNd(WO4)2" +mp-1235392,Rb2LiNd2(WO4)4,-8.3449226372,-2.5694895901,0.058541828,0.058541828,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W +mp-1235457,Rb2LiNd2(WO4)4,-8.3551872856,-2.5797542385,0.0482771796,0.0482771796,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W +mp-1235477,Rb2LiNd2(WO4)4,-8.3675108384,-2.5920777913,0.0359536268,0.0359536268,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Li-Nd-O-Rb-W +mp-1233010,Rb2LiNd2(WO4)4,-8.3283849156,-2.5529518685,0.0750795496,0.0750795496,GGA+U,C2,AB2C16D2E4_mC50_5_a_ab_8c_ab_2c:Li-Nd-O-Rb-W,25.0,"Invalid WP multiplicities - AB2C16D2E4_mC50_5_a_ab_13c_ab_3c:Li-Nd-O-Rb-W, expected Rb2LiNd2(W3O13)2 to be Rb2LiNd2(WO4)4" +mp-1235330,Rb2LiNd2(WO4)4,-8.331752992,-2.5563199449000003,0.0717114732,0.0717114732,GGA+U,C2,AB2C16D2E4_mC50_5_a_ab_8c_ab_2c:Li-Nd-O-Rb-W,25.0,"Invalid WP multiplicities - AB2C16D2E4_mC50_5_a_ab_13c_ab_3c:Li-Nd-O-Rb-W, expected Rb2LiNd2(W3O13)2 to be Rb2LiNd2(WO4)4" +mp-557717,Li3Nd3(WO6)2,-8.2388623655,-2.9734755709,0.0,-0.038535293,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Li-Nd-O-W,80.0,A3B3C12D2_cI160_230_d_c_h_a:Li-Nd-O-W +mp-1048386,BaYCr4O7,-8.5804197585,-2.3016153806,0.3312954085,0.3312954085,GGA+U,P6_3mc,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Cr-O-Y,26.0,AB4C7D_hP26_186_b_ac_a2c_b:Ba-Cr-O-Y +mp-1517793,BaEuYCrO6,-8.697815519,-2.9002527599,0.1994929737,0.1994929737,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Eu-O-Y,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Cr-Eu-O-Y +mp-1047804,Ba2YCr3O8,-8.4003443321,-2.7691248255,0.098029014,0.098029014,GGA+U,P4/mmm,A2B3C8D_tP14_123_h_bg_egi_c:Ba-Cr-O-Y,14.0,"Invalid WP multiplicities - A2B3C8D_tP14_123_h_b2g_2e2g2i_c:Ba-Cr-O-Y, expected Ba2YCr5O16 to be Ba2YCr3O8" +mp-1297776,Ba2YCr3O7,-8.379661185,-2.6957854633,0.06941144,0.06941144,GGA+U,Pmm2,A2B3C7D_oP13_25_2a_3d_2b3c2d_a:Ba-Cr-O-Y,26.0,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cr-O-Y +mp-1048325,Ba2YCr3O7,-8.3927459035,-2.7088701818,0.0563267216,0.0563267216,GGA+U,Pmmm,A2B3C7D_oP13_47_k_cj_aijl_f:Ba-Cr-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oP13_47_k_2c2j_aijl_f:Ba-Cr-O-Y, expected Ba2YCr6O7 to be Ba2YCr3O7" +mp-1320208,Ba2YCr3O7,-8.3803135635,-2.6964378418,0.0687590616,0.0687590616,GGA+U,Fmmm,A2B3C7D_oF104_69_j_ab2i_g2imn_f:Ba-Cr-O-Y,26.0,"Invalid WP multiplicities - A2B3C7D_oF104_69_j_ab4i_g3imn_f:Ba-Cr-O-Y, expected Ba2YCr5O8 to be Ba2YCr3O7" +mp-774925,RbLiMn3O4,-7.4441016285,-1.870517444,0.0117348899,0.0117348899,GGA+U,P1,AB3C4D_aP27_1_3a_9a_12a_3a:Li-Mn-O-Rb,27.0,AB3C4D_aP27_1_3a_9a_12a_3a:Li-Mn-O-Rb +mp-1101431,RbLiMn3O4,-7.4456335389,-1.8720493544,0.0102029795,0.0102029795,GGA+U,Cm,AB3C4D_mC18_8_a_3a_4a_a:Li-Mn-O-Rb,9.0,AB3C4D_mC18_8_a_3a_4a_a:Li-Mn-O-Rb +mp-770725,RbLi2Mn2(BO3)3,-7.5801140615,-2.4224208789,0.0852668228,0.0852668228,GGA+U,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Li-Mn-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_e2g_g_g_e8g_f:B-Li-Mn-O-Rb, expected RbLi2Mn2B5O17 to be RbLi2Mn2(BO3)3" +mp-1043529,MgMn3(P2O7)2,-8.0754134327,-2.6211780732000003,0.062581829,0.062581829,GGA+U,P2_1/c,AB3C14D4_mP44_14_a_be_7e_2e:Mg-Mn-O-P,44.0,AB3C14D4_mP44_14_a_be_7e_2e:Mg-Mn-O-P +mp-2218386,MgMn2(PO4)2,-8.0640665,-2.6544953202,0.0669581546,0.0669581546,GGA+U,P1,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Mn-O-P,13.0,AB2C8D2_aP13_1_a_2a_8a_2a:Mg-Mn-O-P +mp-2219203,MgMn2(PO4)2,-8.09138755,-2.6818163702,0.0396371046,0.0396371046,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Mg-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_aP13_2_a_i_8i_i:Mg-Mn-O-P, expected MgMn2(PO8)2 to be MgMn2(PO4)2" +mp-2219641,MgMn2(PO4)2,-8.0466344685,-2.6370632887000003,0.0843901862,0.0843901862,GGA+U,P-1,AB2C8D2_aP13_2_a_i_4i_i:Mg-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_aP13_2_a_i_8i_i:Mg-Mn-O-P, expected MgMn2(PO8)2 to be MgMn2(PO4)2" +mp-2218475,MgMn2(PO4)2,-8.0425035515,-2.6329323717,0.0885211031,0.0885211031,GGA+U,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_8c_ab:Mg-Mn-O-P, expected MgMn2(PO8)2 to be MgMn2(PO4)2" +mp-2218441,MgMn2(PO4)2,-7.8851419546,-2.4755707748,0.2458826999999999,0.2458826999999999,GGA+U,C2/m,AB2C8D2_mC26_12_b_ac_2ij_i:Mg-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_12_a_bc_4i3j_i:Mg-Mn-O-P, expected MgMn2(PO10)2 to be MgMn2(PO4)2" +mp-1935779,MgMn2(PO4)2,-8.0785999183,-2.6690287385,0.0524247363,0.0524247363,GGA+U,C2/c,AB2C8D2_mC104_15_f_aef_8f_2f:Mg-Mn-O-P,52.0,"Invalid WP multiplicities - AB2C8D2_mC104_15_f_2ce2f_30f_6f:Mg-Mn-O-P, expected Mg2Mn7(PO5)12 to be MgMn2(PO4)2" +mp-2218885,MgMn2(PO4)2,-8.0393461446,-2.6297749648,0.09167851,0.09167851,GGA+U,Amm2,AB2C8D2_oC26_38_a_c_2cde_ab:Mg-Mn-O-P,13.0,"Invalid WP multiplicities - AB2C8D2_oC26_38_a_c_3c2de_ab:Mg-Mn-O-P, expected MgMn2(PO6)2 to be MgMn2(PO4)2" +mp-1045783,MgMn(PO3)4,-7.8187762519,-2.7201223684,0.0040694826,0.0040694826,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Mg-Mn-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Mg-Mn-O-P +mp-1233040,MgMn2(P2O7)2,-7.8091415395,-2.5314671291,0.0868375085,0.0868375085,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P +mp-1234569,MgMn2(P2O7)2,-7.825962419,-2.5482880087,0.0700166289,0.0700166289,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P +mp-1234673,MgMn2(P2O7)2,-7.8005327829,-2.5228583725,0.0954462651,0.0954462651,GGA+U,P1,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P,21.0,AB2C14D4_aP21_1_a_2a_14a_4a:Mg-Mn-O-P +mp-1046700,MgMnPO5,-7.7548729056,-2.64124273,0.0503582556,0.0503582556,GGA+U,P1,ABC5D_aP16_1_2a_2a_10a_2a:Mg-Mn-O-P,32.0,"Invalid WP multiplicities - ABC5D_aP16_1_2a_4a_10a_2a:Mg-Mn-O-P, expected MgMn2PO5 to be MgMnPO5" +mp-1280694,MgMnPO5,-7.755130125,-2.6414999494,0.0501010363,0.0501010363,GGA+U,Cc,ABC5D_mC32_9_a_a_5a_a:Mg-Mn-O-P,16.0,"Invalid WP multiplicities - ABC5D_mC32_9_a_a_7a_a:Mg-Mn-O-P, expected MgMnPO7 to be MgMnPO5" +mp-1041008,MgMn2P2O9,-7.9116180454,-2.535109899,0.0500530739,0.0500530739,GGA+U,Pnma,AB2C9D2_oP56_62_c_ac_5c2d_2c:Mg-Mn-O-P,56.0,"Invalid WP multiplicities - AB2C9D2_oP56_62_c_ac_7c2d_2c:Mg-Mn-O-P, expected MgMn2P2O11 to be MgMn2P2O9" +mp-1233192,MgMn6(PO4)6,-8.0721249857,-2.4566461772,0.0843481503,0.0843481503,GGA+U,P1,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P,37.0,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P +mp-1234163,MgMn6(PO4)6,-8.0803152157,-2.4648364072,0.0761579203,0.0761579203,GGA+U,P1,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P,37.0,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P +mp-2216736,MgMn6(PO4)6,-8.0757312938,-2.4602524853,0.0807418422,0.0807418422,GGA+U,P1,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P,37.0,AB6C24D6_aP37_1_a_6a_24a_6a:Mg-Mn-O-P +mp-1047808,MgMn3P3O13,-7.9783544415,-2.4966951069,0.045892661,0.045892661,GGA+U,P2_1/m,AB3C13D3_mP40_11_e_a2e_7e3f_3e:Mg-Mn-O-P,40.0,"Invalid WP multiplicities - AB3C13D3_mP40_11_e_2a3e_12e11f_3e:Mg-Mn-O-P, expected MgMn5P3O34 to be MgMn3P3O13" +mp-555215,Mg2Mn(PO4)2,-7.7230820723,-2.8951828342,0.0,-0.0017647862,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Mg-Mn-O-P,52.0,A2BC8D2_mP26_14_e_a_4e_e:Mg-Mn-O-P +mp-1233362,MgTiMn5(PO4)6,-8.1939915108,-2.6127430612,0.0674723215,0.0674723215,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-1234360,MgTiMn5(PO4)6,-8.191343267,-2.6100948174000003,0.0701205653,0.0701205653,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-1234397,MgTiMn5(PO4)6,-8.1991613362,-2.6179128866,0.0623024961,0.0623024961,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-1234416,MgTiMn5(PO4)6,-8.1701484684,-2.5889000187,0.0913153639,0.0913153639,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-1234554,MgTiMn5(PO4)6,-8.2136974735,-2.6324490239,0.0477663588,0.0477663588,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-2216952,MgTiMn5(PO4)6,-8.2245598186,-2.643311369,0.0369040136,0.0369040136,GGA+U,P1,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti,37.0,AB5C24D6E_aP37_1_a_5a_24a_6a_a:Mg-Mn-O-P-Ti +mp-2218008,MgMnP2O7,-7.8048728864,-2.6943527651,0.090349473,0.090349473,GGA+U,P1,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mn-O-P,11.0,ABC7D2_aP11_1_a_a_7a_2a:Mg-Mn-O-P +mp-1378757,MgMnP2O7,-7.8659076639,-2.7553875426000003,0.0293146955,0.0293146955,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Mg-Mn-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Mg-Mn-O-P +mp-1042026,MgMnP2O7,-7.893691783199999,-2.7831716619,0.0015305761,0.0015305761,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Mg-Mn-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Mg-Mn-O-P +mp-2217950,MgMnP2O7,-7.6627961818,-2.5522760605,0.2324261775,0.2324261775,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Mg-Mn-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Mg-Mn-O-P, expected MgMnP2O13 to be MgMnP2O7" +mp-2217566,MgMnP2O7,-7.77451711,-2.6639969887,0.1207052493,0.1207052493,GGA+U,C2,ABC7D2_mC22_5_a_b_a3c_c:Mg-Mn-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_b_a6c_c:Mg-Mn-O-P, expected MgMnP2O13 to be MgMnP2O7" +mp-2217988,MgMnP2O7,-7.8940614509,-2.7835413296,0.0011609084,0.0011609084,GGA+U,C2,ABC7D2_mC22_5_a_a_b3c_c:Mg-Mn-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b6c_c:Mg-Mn-O-P, expected MgMnP2O13 to be MgMnP2O7" +mp-1048275,MgMnP2O7,-7.8951268127,-2.7846066914,9.55466e-05,9.55466e-05,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Mg-Mn-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_23e_7e:Mg-Mn-O-P, expected MgMnP7O23 to be MgMnP2O7" +mp-1044357,MgTiMn(PO4)3,-8.0579764153,-2.8214231145,0.029073274,0.029073274,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Mg-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Mg-Mn-O-P-Ti, expected MgTiMn(PO18)3 to be MgTiMn(PO4)3" +mp-1044068,MgMn2(PO5)2,-7.647978524,-2.3001250067,0.1335907365,0.1335907365,GGA+U,Fddd,AB2C10D2_oF120_70_a_d_e2h_e:Mg-Mn-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_oF120_70_a_d_2e8h_e:Mg-Mn-O-P, expected MgMn2(PO18)2 to be MgMn2(PO5)2" +mp-1521616,KCaLaFeO6,-6.818025637,-2.197809696,0.186775591,0.186775591,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Ca-Fe-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Ca-Fe-K-La-O +mp-1520110,KSrPrFeO6,-6.752715672,-2.1796205087,0.1503151689,0.1503151689,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Fe-K-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Fe-K-O-Pr-Sr +mp-1235375,Ba2Li(CO3)2,-7.2107692145,-2.3121932146,0.2323727434,0.2323727434,GGA,P1,A2B2CD6_aP11_1_2a_2a_a_6a:Ba-C-Li-O,11.0,A2B2CD6_mP11_6_ab_ab_a_ab2c:Ba-C-Li-O +mp-1235617,Ba2Li(CO3)2,-7.2062333845,-2.3076573846,0.2369085734,0.2369085734,GGA,Pm,A2B2CD6_mP11_6_ab_ab_a_ab2c:Ba-C-Li-O,11.0,A2B2CD6_mP11_6_ab_ab_a_ab2c:Ba-C-Li-O +mp-15472,Ba4LiCu(CO5)2,-7.0165075528,-2.4827160309,0.0,-0.0210430752,GGA,I-42m,A4B2CDE10_tI36_121_h_e_a_b_e2i:Ba-C-Cu-Li-O,18.0,"Invalid WP multiplicities - A4B2CDE10_tI36_121_h_e_a_b_2e3i:Ba-C-Cu-Li-O, expected Ba4LiCu(CO8)2 to be Ba4LiCu(CO5)2" +mp-1523257,KNdZrTiO6,-8.551812409,-3.3516252796,0.1404850953,0.1404850953,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Ti-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Ti-Zr +mp-1190458,Gd2ZnTe2(SO7)2,-7.7521085205,-2.3604351125,0.0,-0.106545449,GGA,P-1,A2B14C2D2E_aP21_2_i_7i_i_i_a:Gd-O-S-Te-Zn,21.0,A2B14C2D2E_aP21_2_i_7i_i_i_a:Gd-O-S-Te-Zn +mp-1212239,Hg3Pt(NCl4)2,-2.9981863321,-0.2522250789,0.5644277321,0.5644277321,GGA,C2/c,A8B3C2D_mC56_15_4f_af_f_e:Cl-Hg-N-Pt,28.0,A8B3C2D_mC56_15_4f_cf_f_e:Cl-Hg-N-Pt +mp-1203511,Hg3H6Pt(NCl4)2,-3.7634111405,-0.8234204497000001,0.0074435525,0.0074435525,GGA,C2/c,A8B6C3D2E_mC80_15_4f_3f_af_f_e:Cl-H-Hg-N-Pt,40.0,A8B6C3D2E_mC80_15_4f_3f_cf_f_e:Cl-H-Hg-N-Pt +mp-1523140,SrNbVInO6,-7.922718761,-2.5920667049,0.1906715779,0.1906715779,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:In-Nb-O-Sr-V,,ABC6DE_cF40_216_c_a_f_d_b:In-Nb-O-Sr-V +mp-1522021,SrEuHfVO6,-9.378405767,-3.3116335049,0.0790461698,0.0790461698,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-V,,ABC6DE_cF40_216_c_a_f_d_b:Eu-Hf-O-Sr-V +mp-510085,Er2Ti3Si4,-6.8448424761,-0.7867107217,0.0,-0.019924262,GGA,P4_12_12,A2B4C3_tP36_92_b_2b_ab:Er-Si-Ti,36.0,A2B4C3_tP36_92_b_2b_ab:Er-Si-Ti +mp-20918,ErTiSi,-6.6033333133,-0.6404903611,0.0,-0.0049824741,GGA,P4/nmm,ABC_tP6_129_c_c_a:Er-Si-Ti,6.0,ABC_tP6_129_c_c_a:Er-Si-Ti +mp-1216271,Y3ErTi4(SiO9)2,-9.2383305116,-3.6868971874,0.0,-0.0067265807,GGA,P2_1,AB18C2D4E3_mP56_4_a_18a_2a_4a_3a:Er-O-Si-Ti-Y,56.0,AB18C2D4E3_mP56_4_a_18a_2a_4a_3a:Er-O-Si-Ti-Y +mp-1048855,CaLaVCrO6,-8.59737059,-3.0615013108,0.0094110338,0.0094110338,GGA+U,Pc,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-V,20.0,ABCD6E_mP20_7_a_a_a_6a_a:Ca-Cr-La-O-V +mp-581326,SiMoP3O11,-8.1200697892,-2.6872915715,0.0,-0.0125675284,GGA+U,R-3c,AB11C3D_hR192_167_c_be3f_f_c:Mo-O-P-Si,64.0,"Invalid WP multiplicities - AB11C3D_hR192_167_c_2b6e24f_f_c:Mo-O-P-Si, expected SiMoP3O82 to be SiMoP3O11" +mp-553934,Si4Mo2P4O23,-8.16292541,-2.7441489638,0.0,-0.003569826,GGA+U,P-1,A2B23C4D4_aP33_2_i_a11i_2i_2i:Mo-O-P-Si,33.0,"Invalid WP multiplicities - A2B23C4D4_aP33_2_i_a21i_3i_3i:Mo-O-P-Si, expected Si6Mo2P6O43 to be Si4Mo2P4O23" +mp-557690,Si2Mo4P6O25,-8.3058176705,-2.6198644456,0.0,-0.0460897206,GGA+U,P-3,A4B25C6D2_hP111_147_2g_ad12g_3g_c2d:Mo-O-P-Si,111.0,"Invalid WP multiplicities - A4B25C6D2_hP111_147_10g_a2d69g_13g_2c3d:Mo-O-P-Si, expected Si10Mo60P78O419 to be Si2Mo4P6O25" +mp-705894,RbSi2Mo3P6O25,-7.0218692286,-1.6025407615,1.0557541685,1.0557541685,GGA+U,P-31c,A3B25C6DE2_hP74_163_cf_b4i_i_d_e:Mo-O-P-Rb-Si,74.0,"Invalid WP multiplicities - A3B25C6DE2_hP74_163_2cf_b24i_i_d_e:Mo-O-P-Rb-Si, expected RbSi2Mo4P6O145 to be RbSi2Mo3P6O25" +mp-1219291,Si5Mo10P,-9.1735943638,-0.361319754,0.0404126456,0.0404126456,GGA,I422,A10BC5_tI32_97_ck_a_bj:Mo-P-Si,16.0,A10BC5_tI32_97_ck_a_bj:Mo-P-Si +mp-720658,Cs3Mg3In(PO3)12,-7.3531398349,-2.7480642953,0.0009233868,0.0009233868,GGA,Cm,A3BC3D36E12_mC110_8_ab_a_3a_8a14b_4a4b:Cs-In-Mg-O-P,55.0,"Invalid WP multiplicities - A3BC3D36E12_mC110_8_a2b_a_3a_8a28b_4a8b:Cs-In-Mg-O-P, expected Cs5Mg3In(P5O16)4 to be Cs3Mg3In(PO3)12" +mp-1043585,CaBi2(PO5)2,-7.0100823863,-2.3447443686,0.1058592526,0.1058592526,GGA,Fdd2,A2BC10D2_oF120_43_b_a_5b_b:Bi-Ca-O-P,30.0,"Invalid WP multiplicities - A2BC10D2_oF120_43_b_a_14b_b:Bi-Ca-O-P, expected CaBi2(PO14)2 to be CaBi2(PO5)2" +mp-1041219,CaBi3P3O13,-7.1870996278,-2.4834032259,0.0809684781,0.0809684781,GGA,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Bi-Ca-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Bi-Ca-O-P, expected CaBi5P3O34 to be CaBi3P3O13" +mp-1043757,CaTiBi(PO4)3,-7.7801796228,-2.816748896,0.0987126139,0.0987126139,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Bi-Ca-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Bi-Ca-O-P-Ti, expected CaTiBi(PO18)3 to be CaTiBi(PO4)3" +mp-556615,CaBi6(PO5)4,-7.1086100455,-2.4106900806,0.0,-0.0193989569,GGA,P-1,A6BC20D4_aP31_2_3i_a_10i_2i:Bi-Ca-O-P,31.0,"Invalid WP multiplicities - A6BC20D4_aP31_2_5i_a_20i_2i:Bi-Ca-O-P, expected CaBi10(PO10)4 to be CaBi6(PO5)4" +mp-1044825,CaBi2P2O9,-7.2188003752,-2.5735588356,0.0520879014,0.0520879014,GGA,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Bi-Ca-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Bi-Ca-O-P, expected CaBi2P2O11 to be CaBi2P2O9" +mp-1013702,Ca3BiP,-3.188906838,-0.1347885827,0.839226318,0.76464255,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Bi-Ca-P,5.0,AB3C_cP5_221_b_c_a:Bi-Ca-P +mp-1013558,Ca3BiP,-4.028133156,-0.9740149007,0.0,-0.074583768,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Bi-Ca-P,5.0,AB3C_cP5_221_a_c_b:Bi-Ca-P +mp-1214150,Ca2Bi3(PO4)3,-7.0375439072,-2.480901947,0.1713985415,0.1713985415,GGA,P6_3/m,A3B2C12D3_hP40_176_h_f_2hi_h:Bi-Ca-O-P,40.0,A3B2C12D3_hP40_176_h_f_2hi_h:Bi-Ca-O-P +mp-1517626,KCaNbBiO6,-7.077962269,-2.4041697425,0.1657284353,0.1657284353,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-K-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Bi-Ca-K-Nb-O +mp-1043125,CaMnNiP2O9,-7.6720883302,-2.5081915254,0.0222839517,0.0222839517,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Mn-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Mn-Ni-O-P +mp-1521298,NaNbInWO6,-7.888061195,-2.2066835389,0.1743556199,0.1743556199,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:In-Na-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:In-Na-Nb-O-W +mp-1256333,Al5Cu3Si6(O7F2)3,-7.2280529739,-2.8639860451,0.1213746015,0.1213746015,GGA,P2_12_12_1,A5B3C6D21E6_oP164_19_5a_3a_6a_21a_6a:Al-Cu-F-O-Si,164.0,"Invalid WP multiplicities - A5B3C6D21E6_oP164_19_18a_12a_24a_82a_24a:Al-Cu-F-O-Si, expected Al9Cu6Si12O41F12 to be Al5Cu3Si6(O7F2)3" +mp-1229226,Al2CuSi2O8F,-7.4255175246,-2.8593758784,0.1046799827,0.1046799827,GGA,P2_1/c,A2BCD8E2_mP56_14_2e_e_e_8e_2e:Al-Cu-F-O-Si,56.0,"Invalid WP multiplicities - A2BCD8E2_mP56_14_4e_e_e_14e_4e:Al-Cu-F-O-Si, expected Al4CuSi4O14F to be Al2CuSi2O8F" +mp-1214974,AlCuO4F,-5.5260991986,-1.3056682968,0.5712668931,0.5712668931,GGA,C2/m,ABCD4_mC28_12_ad_i_i_4i:Al-Cu-F-O,14.0,ABCD4_mC28_12_ac_i_i_4i:Al-Cu-F-O +mp-6280,Al2Si(O2F)2,-7.5893344397,-3.5308697208,0.0,-0.0206083332,GGA,Pnma,A2B2C4D_oP36_62_d_d_2cd_c:Al-F-O-Si,36.0,"Invalid WP multiplicities - A2B2C4D_oP36_62_d_d_4c3d_c:Al-F-O-Si, expected Al2Si(O5F)2 to be Al2Si(O2F)2" +mp-557084,Al2CuSi2O7F2,-7.4384317196,-3.0890907694,0.0158225116,0.0158225116,GGA,Pnma,A2BC2D7E2_oP56_62_d_c_d_c3d_d:Al-Cu-F-O-Si,56.0,"Invalid WP multiplicities - A2BC2D7E2_oP56_62_d_c_d_4c12d_d:Al-Cu-F-O-Si, expected Al2CuSi2(O14F)2 to be Al2CuSi2O7F2" +mp-1181491,CuSi(O2F3)2,-4.7253115837,-1.3269654713,0.5739674858,0.5739674858,GGA,P2_1/c,AB6C4D_mP24_14_a_3e_2e_d:Cu-F-O-Si,24.0,AB6C4D_mP24_14_a_3e_2e_b:Cu-F-O-Si +mp-677015,Na3Sm17Si12(O25F)2,-8.4087098533,-3.6415104482,0.0,-0.0138681477,GGA,P3,A2B3C50D12E17_hP84_143_2a_2bc_2a16d_4d_2b3c4d:F-Na-O-Si-Sm,84.0,"Invalid WP multiplicities - A2B3C50D12E17_hP84_143_2a_2bc_2a48d_11d_2b3c12d:F-Na-O-Si-Sm, expected Na3Sm41Si33(O73F)2 to be Na3Sm17Si12(O25F)2" +mp-1192338,Na5Sm4Si4O16F,-7.5683504657,-3.2934590832,0.0,-0.0224565197,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Sm,30.0,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Sm +mp-1043215,MgNiSnP2O9,-7.2113918593,-2.444478145,0.0615094046,0.0615094046,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Sn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Sn +mp-1234237,MgSn8(P2O9)2,-6.778219001,-2.1211073326,0.1270377578,0.1270377578,GGA,P1,AB18C4D8_aP31_1_a_18a_4a_8a:Mg-O-P-Sn,31.0,AB18C4D8_aP31_1_a_18a_4a_8a:Mg-O-P-Sn +mp-1233100,MgSn8(P2O9)2,-6.790662879,-2.1335512107,0.1145938798,0.1145938798,GGA,P-1,AB18C4D8_aP31_2_a_9i_2i_4i:Mg-O-P-Sn,31.0,"Invalid WP multiplicities - AB18C4D8_aP31_2_a_17i_3i_7i:Mg-O-P-Sn, expected MgSn14(P3O17)2 to be MgSn8(P2O9)2" +mp-1233963,MgSn8(P2O9)2,-6.7956356203,-2.138523952,0.1096211385,0.1096211385,GGA,P-1,AB18C4D8_aP31_2_a_9i_2i_4i:Mg-O-P-Sn,31.0,"Invalid WP multiplicities - AB18C4D8_aP31_2_a_17i_3i_7i:Mg-O-P-Sn, expected MgSn14(P3O17)2 to be MgSn8(P2O9)2" +mp-1034997,Mg14NiSnO16,-6.2194671459,-2.7400718767,0.1350349828,0.1350349828,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Sn, expected Mg18NiSnO20 to be Mg14NiSnO16" +mp-1034847,Mg14NiSnO16,-6.2179360309,-2.7385407617,0.1365660978,0.1365660978,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Sn, expected Mg30NiSnO32 to be Mg14NiSnO16" +mp-1041181,MgSn3P3O13,-7.1218723888,-2.4130795697,0.104127447,0.104127447,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Mg-O-P-Sn,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Mg-O-P-Sn, expected MgSn5P3O34 to be MgSn3P3O13" +mp-30774,MgNi2Sn,-4.5686278475,-0.2760965313,0.0,-0.0440600458,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Ni-Sn,4.0,AB2C_cF16_225_a_c_b:Mg-Ni-Sn +mp-1043442,MgSn2(PO5)2,-7.0866671427,-2.4258060836,0.1457213762,0.1457213762,GGA,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Mg-O-P-Sn,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Mg-O-P-Sn, expected MgSn2(PO14)2 to be MgSn2(PO5)2" +mp-1346690,MgSnP2O7,-7.2653696377,-2.6232534653,0.0552028218,0.0552028218,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Sn,22.0,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Sn +mp-1041677,MgSnP2O7,-7.261639195,-2.6195230225,0.0589332645,0.0589332645,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-Sn,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Mg-O-P-Sn, expected MgSn(PO4)2 to be MgSnP2O7" +mp-1044868,MgSnP2O7,-7.2908705405,-2.648754368,0.0297019191,0.0297019191,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mg-O-P-Sn,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Mg-O-P-Sn, expected MgSnP7O23 to be MgSnP2O7" +mp-1028388,Mg14NiSn,-2.0218982994,-0.0097964722,0.0748103208,0.0748103208,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Sn, expected Mg18NiSn to be Mg14NiSn" +mp-1028362,Mg14NiSn,-2.020915495,-0.0088136678,0.0757931252,0.0757931252,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Sn, expected Mg26NiSn to be Mg14NiSn" +mp-1021896,Mg6NiSn,-2.4377213031,-0.0137976987,0.1281607373,0.1281607373,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Sn, expected Mg12NiSn to be Mg6NiSn" +mp-1021909,Mg6NiSn,-2.4401945931,-0.0162709888,0.1256874473,0.1256874473,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ni-Sn, expected Mg12NiSn to be Mg6NiSn" +mp-1210716,Mg6NiSn,-2.5520113116000003,-0.1280877072,0.0138707288,0.0138707288,GGA,P4_2cm,A6BC_tP32_101_abd2e_d_d:Mg-Ni-Sn,32.0,A6BC_tP32_101_abd2e_d_d:Mg-Ni-Sn +mp-1037190,Mg30NiSnO32,-6.2793476719,-2.902907847,0.0616657325,0.0616657325,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Sn, expected Mg110NiSnO72 to be Mg30NiSnO32" +mp-1036900,Mg30NiSnO32,-6.2802466747,-2.9038068498,0.0607667297,0.0607667297,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Sn, expected Mg90NiSnO80 to be Mg30NiSnO32" +mp-1049302,MgSn2P2O9,-7.0728228789,-2.4323780807,0.1308966315,0.1308966315,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Mg-O-P-Sn,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Mg-O-P-Sn, expected MgSn2P2O11 to be MgSn2P2O9" +mp-1031792,Mg6NiSnO8,-6.1127234275,-2.4274172697,0.26875615,0.26875615,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Sn, expected Mg6NiSnO12 to be Mg6NiSnO8" +mp-1031822,Mg6NiSnO8,-6.1289457594,-2.4436396016,0.2525338181,0.2525338181,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Sn, expected Mg6NiSnO12 to be Mg6NiSnO8" +mp-1046958,MgSn3(P2O7)2,-7.1847651043,-2.4331356680000003,0.0912553077,0.0912553077,GGA,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-Sn,44.0,AB14C4D3_mP44_14_a_7e_2e_de:Mg-O-P-Sn +mp-1009083,MgSnP2,-4.4187946688,-0.3096804392,0.0100457342,0.0100457342,GGA,I-42d,AB2C_tI16_122_a_d_b:Mg-P-Sn,8.0,AB2C_tI16_122_a_d_b:Mg-P-Sn +mp-1180836,KCr2Fe3O14,-6.991706938,-1.2376969643,0.2723022949,0.2723022949,GGA+U,R-3m,A2B3CD14_hR60_166_c_d_a_c2h:Cr-Fe-K-O,20.0,A2B3CD14_hR60_166_c_d_a_c2h:Cr-Fe-K-O +mp-2228148,KMgCr2FeO8,-7.2660737446,-1.8768195264,0.2417026395,0.2417026395,GGA+U,Cm,A2BCDE8_mC26_8_2a_a_a_a_4a2b:Cr-Fe-K-Mg-O,13.0,"Invalid WP multiplicities - A2BCDE8_mC26_8_2a_a_a_a_4a4b:Cr-Fe-K-Mg-O, expected KMgCr2FeO12 to be KMgCr2FeO8" +mp-558367,KCr2FeO8,-7.5100613604,-1.8050592948,0.0,-0.0273322608,GGA+U,C2/m,A2BCD8_mC24_12_i_a_c_2ij:Cr-Fe-K-O,24.0,A2BCD8_mC24_12_i_a_d_2ij:Cr-Fe-K-O +mp-1104716,KCr2FeO10,-6.8331770443,-1.2365054579,0.3106882234,0.3106882234,GGA+U,C2/m,A2BCD10_mC28_12_i_a_c_3ij:Cr-Fe-K-O,14.0,A2BCD10_mC28_12_i_a_d_3ij:Cr-Fe-K-O +mp-727170,KCr2FeO9,-7.1396499915,-1.4929797224,0.1732288574,0.1732288574,GGA+U,P2_1/m,A2BCD9_mP26_11_2e_e_e_5e2f:Cr-Fe-K-O,26.0,A2BCD9_mP26_11_2e_e_e_5e2f:Cr-Fe-K-O +mp-776125,Ti3Cu2Sn(PO4)6,-7.8774793814,-2.6804014549,0.0177503848,0.0177503848,GGA,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_3b_a_3a:Cu-O-P-Sn-Ti, expected Ti3Cu2Sn(P3O22)3 to be Ti3Cu2Sn(PO4)6" +mp-775589,Ti3CuSn2(PO4)6,-7.8939228472,-2.6993347767,0.0449521428,0.0449521428,GGA,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cu-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Cu-O-P-Sn-Ti, expected Ti3CuSn2(P3O22)3 to be Ti3CuSn2(PO4)6" +mp-755688,Li4MnSb(WO6)2,-7.505691296,-2.1955296463,0.0420990689,0.0420990689,GGA+U,P1,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-Sb-W,40.0,"Invalid WP multiplicities - A4BC12DE2_aP20_1_4a_a_12a_a_3a:Li-Mn-O-Sb-W, expected Li4MnSb(WO4)3 to be Li4MnSb(WO6)2" +mp-752920,Li4MnSb2WO12,-6.9595833088,-2.0908781086,0.0695710506,0.0695710506,GGA+U,P1,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Mn-O-Sb-W,40.0,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Mn-O-Sb-W +mp-1192433,Na5Pr4Ge4O16F,-6.9592446743,-2.7830160325,0.0,-0.0036666885,GGA,I-4,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Ge-Na-O-Pr,30.0,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Ge-Na-O-Pr +mp-863031,KNaGdTaO5,-9.0211219256,-3.1210921848,0.0,-0.0419520628,GGA,P4/nmm,ABCD5E_tP18_129_a_b_c_cj_c:Gd-K-Na-O-Ta,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_b_c_2cj_c:Gd-K-Na-O-Ta, expected KNaGdTaO6 to be KNaGdTaO5" +mp-1210527,Na2GdTa5O15,-9.8212791193,-3.2903925261,0.0313717167,0.0313717167,GGA,P4/mbm,AB2C15D5_tP46_127_a_g_dhi2j_cj:Gd-Na-O-Ta,46.0,AB2C15D5_tP46_127_a_g_dhi2j_cj:Gd-Na-O-Ta +mp-777427,Li4Mn2V3Sn3O16,-7.4181195446,-2.2614347159,0.0542883861,0.0542883861,GGA+U,P1,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Mn-O-Sn-V,28.0,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Mn-O-Sn-V +mp-775771,Li4Mn3V3(SnO8)2,-7.6144411768,-2.273740511,0.048634467,0.048634467,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sn-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Sn-V +mp-1198000,Cs2CeN5O17,-6.596565005,-1.2565619404,0.0534235045,0.0534235045,GGA,C2/c,AB2C5D17_mC100_15_e_f_e2f_e8f:Ce-Cs-N-O,50.0,AB2C5D17_mC100_15_e_f_e2f_e8f:Ce-Cs-N-O +mp-557503,Cs2Ni(NO3)4,-6.4814930621,-1.2037464485,0.0,-0.0250173588,GGA+U,P-1,A2B4CD12_aP38_2_2i_4i_i_12i:Cs-N-Ni-O,38.0,"Invalid WP multiplicities - A2B4CD12_aP38_2_2i_6i_i_24i:Cs-N-Ni-O, expected Cs2Ni(NO4)6 to be Cs2Ni(NO3)4" +mp-704975,Cs5CeNi2(NO2)12,-6.5430754573000005,-1.0719653994,0.254611882,0.254611882,GGA+U,Pn-3,AB5C12D2E24_cP88_201_a_bd_h_c_2h:Ce-Cs-N-Ni-O,88.0,"Invalid WP multiplicities - AB5C12D2E24_cP88_201_a_3b3d_h_c_26h:Ce-Cs-N-Ni-O, expected Cs15CeNi2(NO26)12 to be Cs5CeNi2(NO2)12" +mp-1048300,Sr2YTlCo2O7,-6.9790109046,-2.2827372327,0.0616402938,0.0616402938,GGA+U,P4/mmm,A2B7C2DE_tP13_123_h_ahi_g_c_b:Co-O-Sr-Tl-Y,13.0,A2B7C2DE_tP13_123_h_ahi_g_c_b:Co-O-Sr-Tl-Y +mp-29587,Pr3(BN2)2,-8.2067769056,-1.4237235159,0.0,-0.0478302202,GGA,Immm,A2B4C3_oI18_71_e_n_cg:B-N-Pr,9.0,A2B4C3_oI18_71_e_n_cg:B-N-Pr +mp-9028,PrBN2,-8.5240370283,-1.4907151844,0.0,-0.0280854246,GGA,R-3c,AB2C_hR72_167_e_2e_e:B-N-Pr,24.0,AB2C_hR72_167_e_2e_e:B-N-Pr +mp-695596,Ba4Pr7Si12BN27,-8.036708111,-1.4090451472,0.0083685748,0.0083685748,GGA,P-6,AB4C27D7E12_hP51_174_b_cj_2j3k2l_a2k_2j2k:B-Ba-N-Pr-Si,51.0,"Invalid WP multiplicities - AB4C27D7E12_hP51_174_b_c2j_6j8k6l_a4k_5j6k:B-Ba-N-Pr-Si, expected Ba7Pr13Si33BN78 to be Ba4Pr7Si12BN27" +mp-554279,Tl3Hg2S3ClO12,-5.4356601824,-1.563591565,0.0,-0.0231566111,GGA,P2_1,AB2C12D3E3_mP42_4_a_2a_12a_3a_3a:Cl-Hg-O-S-Tl,42.0,"Invalid WP multiplicities - AB2C12D3E3_mP42_4_a_4a_22a_6a_5a:Cl-Hg-O-S-Tl, expected Tl5Hg4S6ClO22 to be Tl3Hg2S3ClO12" +mp-1103766,DyWClO4,-8.3571361421,-2.7571063457,0.0212879062,0.0212879062,GGA+U,C2/m,ABC4D_mC28_12_i_i_2ij_i:Cl-Dy-O-W,14.0,ABC4D_mC28_12_i_i_2ij_i:Cl-Dy-O-W +mp-2232238,Dy2MgW2(ClO4)2,-8.0001111967,-2.6667313833,0.1902250327,0.1902250327,GGA+U,C2,A2B2CD8E2_mC30_5_c_c_a_4c_c:Cl-Dy-Mg-O-W,15.0,"Invalid WP multiplicities - A2B2CD8E2_mC30_5_c_c_a_5c_c:Cl-Dy-Mg-O-W, expected Dy2MgW2(ClO5)2 to be Dy2MgW2(ClO4)2" +mp-646116,Na3MgC2BrO6,-6.4577299302,-2.2070878138,0.0,-0.0077228925,GGA,Fd-3m,AB2CD3E6_cF208_227_c_e_d_f_g:Br-C-Mg-Na-O,52.0,AB2CD3E6_cF208_227_c_e_d_f_g:Br-C-Mg-Na-O +mp-1516307,KLaDyFeO6,-7.416151811,-2.5358171741,0.1747024154,0.1747024154,GGA+U,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Dy-Fe-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Dy-Fe-K-La-O +mp-1105189,Cu2AgPS4,-4.6136793137000005,-0.4899203991,0.0005737815,0.0005737815,GGA,Pmn2_1,AB2CD4_oP16_31_a_b_a_2ab:Ag-Cu-P-S,16.0,AB2CD4_oP16_31_a_b_a_2ab:Ag-Cu-P-S +mp-1225783,Cu3Ag3(PS4)2,-4.5128508131,-0.4682575651,0.0073863903,0.0073863903,GGA,P1,A3B3C2D8_aP16_1_3a_3a_2a_8a:Ag-Cu-P-S,16.0,A3B3C2D8_aP16_1_3a_3a_2a_8a:Ag-Cu-P-S +mp-1222065,MgAg2(PS3)2,-4.6192815745,-0.7183091862000001,0.0,-0.0029421122,GGA,C2/c,A2BC2D6_mC44_15_f_e_f_3f:Ag-Mg-P-S,22.0,A2BC2D6_mC44_15_f_e_f_3f:Ag-Mg-P-S +mp-2229945,MgCu4Ag2(PS4)2,-4.4163473506,-0.4410283691,0.1736606998,0.1736606998,GGA,Pm,A2B4CD2E8_mP17_6_ab_2c_a_ab_2a2b2c:Ag-Cu-Mg-P-S,17.0,A2B4CD2E8_mP17_6_ab_2c_a_ab_2a2b2c:Ag-Cu-Mg-P-S +mp-2241054,MgCu4Ag2(PS4)2,-4.4683184676,-0.4929994862,0.1216895827,0.1216895827,GGA,Pm,A2B4CD2E8_mP17_6_ab_2c_a_ab_2a2b2c:Ag-Cu-Mg-P-S,17.0,A2B4CD2E8_mP17_6_ab_2c_a_ab_2a2b2c:Ag-Cu-Mg-P-S +mp-1523147,SrNdMgWO6,-7.965716167,-2.8960978237,0.190840057,0.190840057,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Mg-Nd-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Mg-Nd-O-Sr-W +mp-1521264,KPrGdFeO6,-8.257495026,-2.445736984,0.1936510112,0.1936510112,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Fe-Gd-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Fe-Gd-K-O-Pr +mp-1522719,KGd(FeO3)4,-6.96504254,-0.9413275088,0.7132881081,0.7132881081,GGA+U,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Fe-Gd-K-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Fe-Gd-K-O, expected KGd(Fe2O9)2 to be KGd(FeO3)4" +mp-1227896,Cd15As9Cl2O37,-5.477290451,-1.6280846148,0.0141332216,0.0141332216,GGA,R-3,A9B15C2D37_hR378_148_3f_5f_2c_c12f:As-Cd-Cl-O,126.0,"Invalid WP multiplicities - A9B15C2D37_hR378_148_16f_19f_3c_c64f:As-Cd-Cl-O, expected Cd57As48Cl3O193 to be Cd15As9Cl2O37" +mp-690912,Cd10As6HClO25,-5.4968695673,-1.6342628576,0.0118498761,0.0118498761,GGA,P2_1,A6B10CDE25_mP86_4_6a_10a_a_a_25a:As-Cd-Cl-H-O,86.0,"Invalid WP multiplicities - A6B10CDE25_mP86_4_11a_19a_a_a_48a:As-Cd-Cl-H-O, expected Cd19As11HClO48 to be Cd10As6HClO25" +mp-1197316,Na2SrMg(PO4)2,-6.9929257727,-2.9690015731,0.0,-0.0189601197,GGA,P2_1/c,AB2C8D2E_mP56_14_ab_2e_8e_2e_e:Mg-Na-O-P-Sr,56.0,AB2C8D2E_mP56_14_ab_2e_8e_2e_e:Mg-Na-O-P-Sr +mp-1516717,EuMgSnWO6,-8.337174928,-2.4866633078,0.0806586168,0.0806586168,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mg-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Mg-O-Sn-W +mp-1102145,EuMgSn,-5.87037592,-0.581424685,0.0,-0.1029197277,GGA,Pnma,ABC_oP12_62_c_c_c:Eu-Mg-Sn,12.0,ABC_oP12_62_c_c_c:Eu-Mg-Sn +mp-1183894,Eu2MgSn,-6.9896171775,-0.4586533012,0.0334491146,0.0334491146,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Eu-Mg-Sn,4.0,A2BC_cF16_225_c_a_b:Eu-Mg-Sn +mp-39626,SrLaMnWO6,-8.689852563,-2.8472747282,0.058387679,0.058387679,GGA+U,I-4,ABC6DE_tI20_82_c_a_eg_d_b:La-Mn-O-Sr-W,10.0,"Invalid WP multiplicities - ABC6DE_tI20_82_c_a_2e2g_d_b:La-Mn-O-Sr-W, expected SrLaMnWO12 to be SrLaMnWO6" +mp-1218657,Sr3LaMn2(WO6)2,-8.5007458825,-2.8204937303,0.0,-0.0009261195,GGA+U,P1,AB2C12D3E2_aP20_1_a_2a_12a_3a_2a:La-Mn-O-Sr-W,20.0,AB2C12D3E2_aP20_1_a_2a_12a_3a_2a:La-Mn-O-Sr-W +mp-706225,Sr3LaMn2(WO6)2,-8.4950963597,-2.8148442075,0.0056495228,0.0047234032,GGA+U,P2_1,AB2C12D3E2_mP40_4_a_2a_12a_3a_2a:La-Mn-O-Sr-W,40.0,"Invalid WP multiplicities - AB2C12D3E2_mP40_4_a_4a_24a_6a_4a:La-Mn-O-Sr-W, expected Sr6LaMn4(WO6)4 to be Sr3LaMn2(WO6)2" +mp-694898,Sr5La3Mn4(WO6)4,-8.6050899777,-2.8436749843,0.0194030845,0.0194030845,GGA+U,P1,A3B4C24D5E4_aP40_1_3a_4a_24a_5a_4a:La-Mn-O-Sr-W,40.0,A3B4C24D5E4_aP40_1_3a_4a_24a_5a_4a:La-Mn-O-Sr-W +mp-1521548,NaCaNbWO6,-8.220129771,-2.6133604999,0.1426865544,0.1426865544,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-W +mp-771015,Li3NiAsCO7,-6.6039842873,-1.9869450445,0.0473312323,0.0473312323,GGA+U,P2_1/m,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Li-Ni-O,52.0,ABC3DE7_mP26_11_e_e_ef_e_5ef:As-C-Li-Ni-O +mp-1222560,Li3Ni11As7,-5.2548458133,-0.4014124364,0.0,-0.0095344545,GGA,Pm,A7B3C11_mP21_6_3a4b_2ab_5a6b:As-Li-Ni,21.0,A7B3C11_mP21_6_3a4b_2ab_5a6b:As-Li-Ni +mp-1211146,Li5Ni9As7,-4.9618169162,-0.4770705691,0.0,-0.0298897914,GGA,P-6,A7B5C9_hP21_174_ajk_cfk_2jk:As-Li-Ni,21.0,A7B5C9_hP21_174_ajk_cfk_2jk:As-Li-Ni +mp-757925,LiNi2(CO4)2,-6.6955411863,-1.1955383478,0.3728150788,0.3728150788,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:C-Li-Ni-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_7e_e_7e_32e:C-Li-Ni-O, expected LiNi7C7O32 to be LiNi2(CO4)2" +mp-22243,LiNiAsO4,-6.4070279379,-1.8163232526,0.0,-0.0010736285,GGA+U,Pnma,ABCD4_oP28_62_c_a_c_2cd:As-Li-Ni-O,28.0,ABCD4_oP28_62_c_a_c_2cd:As-Li-Ni-O +mp-1222345,LiNiAsO4,-6.3886722564,-1.7979675712,0.0183556814,0.017282053,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:As-Li-Ni-O,28.0,ABCD4_oI28_74_e_a_c_hi:As-Li-Ni-O +mp-1096495,LiNi2As,-2.68805186,1.8440267979,2.2460891773,2.2460891773,GGA,Immm,ABC2_oI8_71_a_b_e:As-Li-Ni,4.0,ABC2_oI8_71_a_b_e:As-Li-Ni +mp-765316,Li3Ni2(CO3)4,-7.1920343205,-1.7843215364,0.0941995188,0.0941995188,GGA+U,P1,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Ni-O,21.0,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Ni-O +mp-752720,Li3Ni2(CO3)4,-7.2206812638,-1.8129684798,0.0655525755,0.0655525755,GGA+U,P1,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Ni-O,21.0,A4B3C2D12_aP21_1_4a_3a_2a_12a:C-Li-Ni-O +mp-757402,Li3Ni2(CO3)4,-7.1437909786,-1.7360781945,0.1424428607,0.1424428607,GGA+U,P2_1,A4B3C2D12_mP42_4_4a_3a_2a_12a:C-Li-Ni-O,42.0,"Invalid WP multiplicities - A4B3C2D12_mP42_4_4a_4a_2a_20a:C-Li-Ni-O, expected Li2Ni(CO5)2 to be Li3Ni2(CO3)4" +mp-757976,LiNiCO4,-6.9053892607,-1.6618921344,0.0678344656,0.0678344656,GGA+U,P2_1/c,ABCD4_mP28_14_e_e_e_4e:C-Li-Ni-O,28.0,"Invalid WP multiplicities - ABCD4_mP28_14_e_e_e_13e:C-Li-Ni-O, expected LiNiCO13 to be LiNiCO4" +mp-763540,LiNi(CO3)2,-7.273299339,-1.6906470591,0.0772597581,0.0772597581,GGA+U,P2_1,A2BCD6_mP20_4_2a_a_a_6a:C-Li-Ni-O,20.0,"Invalid WP multiplicities - A2BCD6_mP20_4_4a_a_a_10a:C-Li-Ni-O, expected LiNi(C2O5)2 to be LiNi(CO3)2" +mp-758769,LiNi(CO3)2,-7.2064608725,-1.6238085926,0.1440982246,0.1440982246,GGA+U,P2_1/c,A2BCD6_mP40_14_2e_e_e_6e:C-Li-Ni-O,40.0,"Invalid WP multiplicities - A2BCD6_mP40_14_3e_e_e_19e:C-Li-Ni-O, expected LiNiC3O19 to be LiNi(CO3)2" +mp-766032,Li2Ni(CO3)2,-7.1854478616,-1.9367709829,0.0423084707,0.0423084707,GGA+U,P1,A2B2CD6_aP22_1_4a_4a_2a_12a:C-Li-Ni-O,44.0,"Invalid WP multiplicities - A2B2CD6_aP22_1_4a_4a_4a_12a:C-Li-Ni-O, expected LiNiCO3 to be Li2Ni(CO3)2" +mp-766019,Li2Ni(CO3)2,-7.1701190182,-1.9214421395,0.0576373141,0.0576373141,GGA+U,P1,A2B2CD6_aP22_1_4a_4a_2a_12a:C-Li-Ni-O,22.0,A2B2CD6_aP22_1_4a_4a_2a_12a:C-Li-Ni-O +mp-753221,Li2Ni(CO3)2,-7.1505738464,-1.9018969677,0.0771824859,0.0771824859,GGA+U,Fdd2,A2B2CD6_oF88_43_b_b_a_3b:C-Li-Ni-O,44.0,A2B2CD6_oF88_43_b_b_a_3b:C-Li-Ni-O +mp-759758,Li2Ni(CO3)2,-7.1635238961,-1.9148470174,0.0642324361,0.0642324361,GGA+U,P2_1/c,A2B2CD6_mP44_14_2e_2e_e_6e:C-Li-Ni-O,44.0,"Invalid WP multiplicities - A2B2CD6_mP44_14_3e_7e_e_19e:C-Li-Ni-O, expected Li7NiC3O19 to be Li2Ni(CO3)2" +mp-558135,Ti4S8Cl6O,-5.9875637095,-1.7395913056,0.0,-0.0225913784,GGA,C2/c,A6BC8D4_mC76_15_3f_e_4f_2f:Cl-O-S-Ti,38.0,"Invalid WP multiplicities - A6BC8D4_mC76_15_10f_e_14f_5f:Cl-O-S-Ti, expected Ti10S28Cl20O to be Ti4S8Cl6O" +mp-661715,TiSCl6O,-3.3860555533,-0.2671832695,1.3659734478,1.3659734478,GGA,P-1,A6BCD_aP18_2_6i_i_i_i:Cl-O-S-Ti,18.0,"Invalid WP multiplicities - A6BCD_aP18_2_12i_i_i_i:Cl-O-S-Ti, expected TiSCl12O to be TiSCl6O" +mp-554370,TiSCl6O,-4.7298494378,-1.6109771539,0.0221795633,0.0221795633,GGA,P-1,A6BCD_aP18_2_6i_i_i_i:Cl-O-S-Ti,18.0,"Invalid WP multiplicities - A6BCD_aP18_2_12i_i_i_i:Cl-O-S-Ti, expected TiSCl12O to be TiSCl6O" +mp-561355,TiSCl6O,-4.7300619603000005,-1.6111896764,0.0219670408,0.0219670408,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:Cl-O-S-Ti,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_21e_e_e_e:Cl-O-S-Ti, expected TiSCl21O to be TiSCl6O" +mp-560517,TiSCl6O,-4.7311925708,-1.6123202870000002,0.0208364303,0.0208364303,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:Cl-O-S-Ti,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_20e_e_e_e:Cl-O-S-Ti, expected TiSCl20O to be TiSCl6O" +mp-1223145,La4S4Cl2O,-6.9150639955,-2.8301921847,0.0139744369,0.0139744369,GGA,Cmc2_1,A2B4CD4_oC44_36_b_2ab_a_2ab:Cl-La-O-S,22.0,"Invalid WP multiplicities - A2B4CD4_oC44_36_b_3a2b_a_3a2b:Cl-La-O-S, expected La7S7Cl2O to be La4S4Cl2O" +mp-559820,LaSClO4,-7.0904017518,-2.7035805408,0.0,-0.0062915227,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cl-La-O-S,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_e_e_15e_e:Cl-La-O-S, expected LaSClO15 to be LaSClO4" +mp-726564,TiS5(ClO3)2,-5.7040115529,-1.2786582001,0.3527469177,0.3527469177,GGA,P-1,A2B6C5D_aP28_2_2i_6i_5i_i:Cl-O-S-Ti,28.0,A2B6C5D_aP28_2_2i_6i_5i_i:Cl-O-S-Ti +mp-1194018,TiS5(ClO3)2,-5.4246436214,-0.9992902687,0.6321148491,0.6321148491,GGA,P-1,A2B6C5D_aP28_2_2i_6i_5i_i:Cl-O-S-Ti,28.0,A2B6C5D_aP28_2_2i_6i_5i_i:Cl-O-S-Ti +mp-690978,La5Ti6S3(ClO5)3,-8.4820855409,-3.3505768574,0.0237277458,0.0237277458,GGA,C2/m,A3B5C15D3E6_mC128_12_ij_efg2i_h2i6j_ij_2i2j:Cl-La-O-S-Ti,64.0,"Invalid WP multiplicities - A3B5C15D3E6_mC128_12_2i3j_2ef2h3i_2g4i21j_i2j_4i5j:Cl-La-O-S-Ti, expected La8Ti14S5(ClO6)8 to be La5Ti6S3(ClO5)3" +mp-1223572,La5Ti6S3(ClO5)3,-8.4823799322,-3.3508712486,0.0234333546,0.0234333546,GGA,C2/m,A3B5C15D3E6_mC128_12_ij_efg2i_h2i6j_ij_2i2j:Cl-La-O-S-Ti,64.0,"Invalid WP multiplicities - A3B5C15D3E6_mC128_12_ij_2efg2i_h2i18j_ij_4i2j:Cl-La-O-S-Ti, expected La6Ti8S3(ClO13)3 to be La5Ti6S3(ClO5)3" +mp-556659,La3TiCl5O4,-7.3301166583,-3.3506588524,0.003680259,0.003680259,GGA,Pnma,A5B3C4D_oP52_62_5c_3c_4c_c:Cl-La-O-Ti,52.0,"Invalid WP multiplicities - A5B3C4D_oP52_62_14c_9c_12c_c:Cl-La-O-Ti, expected La9Ti(Cl7O6)2 to be La3TiCl5O4" +mp-1208924,Ti4S24Cl6O,-5.3624040026,-1.16541333,0.0,-0.2210637641,GGA,Pbcn,A6BC24D4_oP140_60_3d_c_12d_2d:Cl-O-S-Ti,140.0,A6BC24D4_oP140_60_3d_c_12d_2d:Cl-O-S-Ti +mp-2230438,MgTi2S2(Cl6O)2,-4.7027697063,-1.6638233295,0.1483806828,0.1483806828,GGA,P1,A12BC2D2E2_aP19_1_12a_a_2a_2a_2a:Cl-Mg-O-S-Ti,19.0,A12BC2D2E2_aP19_1_12a_a_2a_2a_2a:Cl-Mg-O-S-Ti +mp-2230365,MgTi2S2(Cl6O)2,-4.7233109116000005,-1.6843645348,0.1278394775,0.1278394775,GGA,P1,A12BC2D2E2_aP19_1_12a_a_2a_2a_2a:Cl-Mg-O-S-Ti,19.0,A12BC2D2E2_aP19_1_12a_a_2a_2a_2a:Cl-Mg-O-S-Ti +mp-1202858,Hg2GeS6Cl2O21,-5.8969695821,-1.5961375808,0.0,-0.0285851707,GGA,P2_1/c,A2BC2D21E6_mP128_14_2e_e_2e_21e_6e:Cl-Ge-Hg-O-S,128.0,A2BC2D21E6_mP128_14_2e_e_2e_21e_6e:Cl-Ge-Hg-O-S +mp-1212481,Hg2GeO2,-3.5620053365,-0.537252135,0.7095005028,0.7095005028,GGA,Fddd,AB2C2_oF80_70_c_h_h:Ge-Hg-O,20.0,AB2C2_oF80_70_c_h_h:Ge-Hg-O +mp-663506,Hg2GeO4,-4.8231853214,-1.2493076886,0.0272599221,0.0061953188,GGA,P-1,AB2C4_aP14_2_i_2i_4i:Ge-Hg-O,14.0,AB2C4_aP14_1_2a_4a_8a:Ge-Hg-O +mp-13995,Hg2GeO4,-4.8504452436,-1.2765676107,0.0,-0.0210646033,GGA,Fddd,AB2C4_oF56_70_a_e_h:Ge-Hg-O,14.0,AB2C4_oF56_70_a_e_h:Ge-Hg-O +mp-1017447,HgGeO3,-5.12807882,-1.1747239492,0.3422496972,0.3422496972,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Ge-Hg-O,5.0,ABC3_cP5_221_b_a_c:Ge-Hg-O +mp-1662514,Li4V3Sn3(TeO8)2,-6.8263172875,-2.0995402729,0.0853781855,0.0853781855,GGA+U,P1,A4B16C3D2E3_aP28_1_4a_16a_3a_2a_3a:Li-O-Sn-Te-V,56.0,"Invalid WP multiplicities - A4B16C3D2E3_aP28_1_4a_16a_3a_2a_4a:Li-O-Sn-Te-V, expected Li4V4Sn3(TeO8)2 to be Li4V3Sn3(TeO8)2" +mp-774857,Li4V3Sn3(TeO8)2,-6.8252214666,-2.098444452,0.0864740064,0.0864740064,GGA+U,Cm,A4B16C3D2E3_mC56_8_4a_8a4b_ab_2a_ab:Li-O-Sn-Te-V,56.0,A4B16C3D2E3_mC56_8_4a_8a4b_ab_2a_ab:Li-O-Sn-Te-V +mp-757703,Mn3CoSn2(PO4)6,-7.7156723519,-2.331954255,0.1030365475,0.1030365475,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Co-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_20b_2b_2a:Co-Mn-O-P-Sn, expected Mn3CoSn2(PO10)6 to be Mn3CoSn2(PO4)6" +mp-757548,CoSn3(PO4)4,-7.2989604954,-2.3015745468,0.083841545,0.083841545,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Co-O-P-Sn,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Co-O-P-Sn +mp-863354,CoSn(PO4)2,-7.4502797829,-2.3237794201,0.0373370364,0.0373370364,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-Sn,48.0,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-Sn +mp-775131,Co3Sn(PO4)4,-7.4301508488,-2.1745360718,0.0561010064,0.0561010064,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Sn,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Co-O-P-Sn +mp-758322,Mn3Co2Sn(PO4)6,-7.7350319983,-2.2652376252,0.095426585,0.095426585,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Mn-O-P-Sn, expected Mn3Co2Sn(PO10)6 to be Mn3Co2Sn(PO4)6" +mp-1228215,Cs3(Cr5Se8)4,-6.4976813176,-0.9046572485,0.0,-0.0111507509,GGA,P-1,A20B3C32_aP55_2_10i_ai_16i:Cr-Cs-Se,55.0,"Invalid WP multiplicities - A20B3C32_aP55_2_17i_a2i_28i:Cr-Cs-Se, expected Cs5(Cr17Se28)2 to be Cs3(Cr5Se8)4" +mp-757937,CrHSe3O8,-6.2260379765,-1.3716520044,0.0835689571,0.039423784,GGA+U,P2_1/c,ABC8D3_mP52_14_e_e_8e_3e:Cr-H-O-Se,52.0,"Invalid WP multiplicities - ABC8D3_mP52_14_e_e_29e_9e:Cr-H-O-Se, expected CrHSe9O29 to be CrHSe3O8" +mp-744182,CrHSe3O8,-6.0443290219,-1.1899430498,0.2652779117,0.2211327387,GGA+U,P2_1/c,ABC8D3_mP52_14_e_e_8e_3e:Cr-H-O-Se,52.0,ABC8D3_mP52_14_e_e_8e_3e:Cr-H-O-Se +mp-1182406,CrHSe3O8,-6.3096069337,-1.4552209615,0.0,-0.0441451731,GGA+U,P2_1/c,ABC8D3_mP52_14_e_e_8e_3e:Cr-H-O-Se,52.0,ABC8D3_mP52_14_e_e_8e_3e:Cr-H-O-Se +mp-761681,CrHSe3O8,-6.3035133092,-1.4491273371,0.0060936244,-0.0380515487,GGA+U,Pnma,ABC8D3_oP52_62_a_c_2c3d_cd:Cr-H-O-Se,52.0,"Invalid WP multiplicities - ABC8D3_oP52_62_a_c_5c12d_3c2d:Cr-H-O-Se, expected CrHSe7O29 to be CrHSe3O8" +mp-1202355,CsCrH24(SeO10)2,-5.4815376716,-1.3586320028,0.0,-0.0046248241,GGA+U,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cr-Cs-H-O-Se,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cr-Cs-H-O-Se +mp-505149,CsCr5Se8,-6.4277818971,-0.9186439298,0.0,-0.0108312564,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Cs-Se,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-Cs-Se +mp-1522209,KHfNbBiO6,-8.203034033,-2.7340825916,0.1777092292,0.1777092292,GGA,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Bi-Hf-K-Nb-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Bi-Hf-K-Nb-O +mp-1517646,KBaCeMnO6,-7.400110548,-2.6196494878000003,0.12000402,0.12000402,GGA+U,F-43m,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-K-Mn-O,10.0,ABCDE6_cF40_216_c_a_d_b_f:Ba-Ce-K-Mn-O +mp-1046836,Mg2Nb2VO8,-8.4930921173,-2.9499701219,0.0086884584,0.0086884584,GGA+U,C2/c,A2B2C8D_mC52_15_f_f_4f_e:Mg-Nb-O-V,26.0,"Invalid WP multiplicities - A2B2C8D_mC52_15_f_f_5f_e:Mg-Nb-O-V, expected Mg2Nb2VO10 to be Mg2Nb2VO8" +mp-2232092,MgNbV3O10,-8.356456236,-2.4617768752,0.2291587711,0.2291587711,GGA+U,P-4m2,ABC10D3_tP15_115_c_b_gjk_ag:Mg-Nb-O-V,15.0,"Invalid WP multiplicities - ABC10D3_tP15_115_c_b_2g2j2k_ag:Mg-Nb-O-V, expected MgNbV3O20 to be MgNbV3O10" +mp-2232233,MgNbV3O10,-8.3818240433,-2.4871446825,0.2037909638,0.2037909638,GGA+U,P-4m2,ABC10D3_tP15_115_c_a_gjk_bg:Mg-Nb-O-V,15.0,"Invalid WP multiplicities - ABC10D3_tP15_115_c_a_2g2j2k_bg:Mg-Nb-O-V, expected MgNbV3O20 to be MgNbV3O10" +mp-2217717,Ba2MgNbVO6,-7.5304783836,-2.5937899011,0.378968646,0.378968646,GGA+U,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nb-O-V,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Nb-O-V, expected Ba2MgNbVO12 to be Ba2MgNbVO6" +mp-2226968,Ba2MgNbVO6,-7.5558797682,-2.6191912857,0.3535672614,0.3535672614,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-V,11.0,A2BCD6E_mC22_8_2a_a_a_2a2b_a:Ba-Mg-Nb-O-V +mp-2219288,MgNbV3O8,-8.635320481499999,-2.5947964054,0.182946064,0.182946064,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Mg-Nb-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Mg-Nb-O-V +mp-2219396,MgNbV3O8,-8.68484881,-2.6443247338,0.1334177355,0.1334177355,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Mg-Nb-O-V,13.0,ABC8D3_mC26_8_a_a_8a_3a:Mg-Nb-O-V +mp-1028304,Mg14NbV,-2.4655940369,0.1337267013,0.150003422,0.150003422,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-V, expected Mg18NbV to be Mg14NbV" +mp-1028293,Mg14NbV,-2.4395750412,0.1597456969,0.1760224176,0.1760224176,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-V, expected Mg26NbV to be Mg14NbV" +mp-1031577,Mg6NbVO8,-6.8899829925,-2.6174579238,0.2369614754,0.2369614754,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-V, expected Mg6NbVO12 to be Mg6NbVO8" +mp-1031603,Mg6NbVO8,-6.9205143056,-2.6479892369,0.2064301622,0.2064301622,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-V,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-V, expected Mg6NbVO12 to be Mg6NbVO8" +mp-2227321,MgNb2V2O8,-8.8631379854,-2.74435245,0.0661983182,0.0661983182,GGA+U,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_8c_ab:Mg-Nb-O-V, expected MgNb2V2O16 to be MgNb2V2O8" +mp-2241032,MgNb2V2O8,-8.786941047700001,-2.6681555123000003,0.1423952559,0.1423952559,GGA+U,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_5_a_ab_8c_ab:Mg-Nb-O-V, expected MgNb2V2O16 to be MgNb2V2O8" +mp-2219583,MgNb2V2O8,-8.8335129862,-2.7147274508,0.0958233175,0.0958233175,GGA+U,C2/m,AB2C8D2_mC26_12_a_i_2ij_f:Mg-Nb-O-V,13.0,"Invalid WP multiplicities - AB2C8D2_mC26_12_a_i_4i2j_e:Mg-Nb-O-V, expected MgNb2V2O16 to be MgNb2V2O8" +mp-2229195,MgNb4VO12,-9.0728343189,-2.9367414958,0.0454723825,0.0454723825,GGA+U,P1,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V,18.0,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V +mp-2228402,MgNb4VO12,-9.0627593994,-2.9266665764,0.0555473019,0.0555473019,GGA+U,P1,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V,18.0,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V +mp-2229006,MgNb4VO12,-9.0686766806,-2.9325838575,0.0496300208,0.0496300208,GGA+U,P1,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V,18.0,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V +mp-2229293,MgNb4VO12,-9.0380226994,-2.9019298764,0.0802840019,0.0802840019,GGA+U,P1,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V,18.0,AB4C12D_aP18_1_a_4a_12a_a:Mg-Nb-O-V +mp-1034517,Mg14NbVO16,-6.6063813628,-2.8333766381,0.1208532111,0.1208532111,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-V,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-V, expected Mg18NbVO20 to be Mg14NbVO16" +mp-1034421,Mg14NbVO16,-6.6106085987,-2.8376038741,0.1166259752,0.1166259752,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-V,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-V, expected Mg30NbVO32 to be Mg14NbVO16" +mp-2225881,MgNbVO4,-8.2557725429,-2.4597373993,0.3078954659,0.3078954659,GGA+U,P1,ABC4D_aP7_1_a_a_4a_a:Mg-Nb-O-V,7.0,ABC4D_aP7_1_a_a_4a_a:Mg-Nb-O-V +mp-2226906,MgNbVO4,-8.3381681,-2.5421329564,0.2254999088,0.2254999088,GGA+U,P2/m,ABC4D_mP7_10_a_e_mn_c:Mg-Nb-O-V,7.0,"Invalid WP multiplicities - ABC4D_mP7_10_c_e_m2n_a:Mg-Nb-O-V, expected MgNbVO6 to be MgNbVO4" +mp-2225304,MgNbVO4,-8.4115676571,-2.6155325136,0.1521003516,0.1521003516,GGA+U,Imm2,ABC4D_oI14_44_a_b_2a2b_a:Mg-Nb-O-V,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_c_2e2f_b:Mg-Nb-O-V, expected MgNbVO8 to be MgNbVO4" +mp-2225270,MgNbVO4,-8.4115904243,-2.6155552807,0.1520775845,0.1520775845,GGA+U,I-4m2,ABC4D_tI14_119_a_c_ef_b:Mg-Nb-O-V,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_c_2e2f_b:Mg-Nb-O-V, expected MgNbVO8 to be MgNbVO4" +mp-2225882,MgNbVO4,-8.32985264,-2.5338174964,0.2338153688,0.2338153688,GGA+U,I-4m2,ABC4D_tI14_119_a_b_ef_c:Mg-Nb-O-V,7.0,"Invalid WP multiplicities - ABC4D_tI14_119_a_b_2e2f_c:Mg-Nb-O-V, expected MgNbVO8 to be MgNbVO4" +mp-1036762,Mg30NbVO32,-6.4729506138,-2.9497060611,0.0544290132,0.0544290132,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-V, expected Mg110NbVO72 to be Mg30NbVO32" +mp-1036765,Mg30NbVO32,-6.4727827827,-2.94953823,0.0545968443,0.0545968443,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-V,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-V, expected Mg90NbVO80 to be Mg30NbVO32" +mp-1021688,Mg6NbV,-3.31325228,0.2851091462,0.2990606212,0.2990606212,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-V, expected Mg12NbV to be Mg6NbV" +mp-1021699,Mg6NbV,-3.3772489219,0.2211125044,0.2350639793,0.2350639793,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-V, expected Mg12NbV to be Mg6NbV" +mp-2232321,MgNb2V2O10,-8.6848907747,-2.7223848158,0.131482831,0.131482831,GGA+U,Cm,AB2C10D2_mC30_8_a_2a_2a4b_b:Mg-Nb-O-V,15.0,"Invalid WP multiplicities - AB2C10D2_mC30_8_a_2a_2a8b_b:Mg-Nb-O-V, expected MgNb2V2O18 to be MgNb2V2O10" +mp-2232241,MgNb2V2O10,-8.669594126,-2.7070881672,0.1467794797,0.1467794797,GGA+U,P-4m2,AB2C10D2_tP15_115_c_g_gjk_ab:Mg-Nb-O-V,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_115_c_g_2g2j2k_ab:Mg-Nb-O-V, expected MgNb2V2O20 to be MgNb2V2O10" +mp-1029605,Na2MnN2,-6.0624166935,-0.3664055477,0.0,-0.0760471657,GGA,Pnma,AB2C2_oP20_62_c_2c_2c:Mn-N-Na,20.0,AB2C2_oP20_62_c_2c_2c:Mn-N-Na +mp-1245351,Na7MnN4,-4.3674397498,-0.0536337459,0.1816087218,0.1816087218,GGA,P-43n,AB4C7_cP96_218_ac_ei_bdefi:Mn-N-Na,96.0,AB4C7_cP96_218_ac_ei_bdefi:Mn-N-Na +mp-1245544,NaMnN,-6.366659175,-0.0929806715,0.245176782,0.245176782,GGA,Cmcm,ABC_oC12_63_c_c_a:Mn-N-Na,6.0,ABC_oC12_63_c_c_a:Mn-N-Na +mp-1245558,NaMnN,-6.5138245533,-0.2401460498,0.0980114037,0.0980114037,GGA,P6_3mc,ABC_hP6_186_a_b_b:Mn-N-Na,6.0,ABC_hP6_186_a_b_b:Mn-N-Na +mp-41605,NaMnCr(CN)6,-8.386570548,-0.0180005106,0.277666351,0.277666351,GGA,F-43m,A6BCD6E_cF60_216_f_a_b_f_c:C-Cr-Mn-N-Na,15.0,A6BCD6E_cF60_216_f_a_b_f_c:C-Cr-Mn-N-Na +mp-1245366,Na3MnN2,-4.9454232017,0.0216736354,0.3270115918,0.3270115918,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Mn-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Mn-N-Na +mp-17165,Cs2NaCr(CN)6,-7.6570305391,-0.2721967883,0.0849293625,0.0849293625,GGA,P2_1/c,A6BC2D6E_mP32_14_3e_a_e_3e_d:C-Cr-Cs-N-Na,32.0,A6BC2D6E_mP32_14_3e_a_e_3e_b:C-Cr-Cs-N-Na +mp-2229079,NaMgV2Bi3O10,-6.8840698265,-2.0558950038,0.1301087131,0.1301087131,GGA+U,P1,A3BCD10E2_aP17_1_3a_a_a_10a_2a:Bi-Mg-Na-O-V,17.0,A3BCD10E2_aP17_1_3a_a_a_10a_2a:Bi-Mg-Na-O-V +mp-2229135,NaMgV2Bi3O10,-6.89378206,-2.0656072373,0.1203964795,0.1203964795,GGA+U,P1,A3BCD10E2_aP17_1_3a_a_a_10a_2a:Bi-Mg-Na-O-V,17.0,A3BCD10E2_aP17_1_3a_a_a_10a_2a:Bi-Mg-Na-O-V +mp-1518537,SrEuNbWO6,-9.318124501,-2.8495182219,0.1283775764,0.1283775764,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Sr-W +mp-1517644,Sr2NbWO6,-8.490531205,-2.8786757606,0.1000157381,0.1000157381,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Nb-O-Sr-W +mp-1519174,Eu2NbWO6,-10.146220691,-2.8208635773,0.1218631334,0.1218631334,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-W,10.0,A2BC6D_cF40_225_c_a_e_b:Eu-Nb-O-W +mp-1147561,BaCuSO,-5.4598664875,-1.6845364405,0.2047727744,0.2047727744,GGA,Cmcm,ABCD_oC16_63_c_c_a_c:Ba-Cu-O-S,8.0,ABCD_oC16_63_c_c_a_c:Ba-Cu-O-S +mp-1147767,Ba2CuSO2,-5.7203035283,-2.0591395551,0.1418262063,0.1418262063,GGA,P4/mmm,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-S,6.0,A2BC2D_tP6_123_h_b_e_a:Ba-Cu-O-S +mp-1214929,Ba2GdCu3SO6,-6.9225221854,-1.9972703189,0.3294004208,0.3294004208,GGA,Pmmm,A2B3CD6E_oP13_47_k_cj_f_ijl_a:Ba-Cu-Gd-O-S,13.0,A2B3CD6E_oP13_47_k_cj_f_ijl_a:Ba-Cu-Gd-O-S +mp-1147564,Ba2Cu(SO)2,-5.5776116414,-1.8485496834,0.3106608479,0.3106608479,GGA,P4/mmm,A2BC2D2_tP7_123_h_a_f_g:Ba-Cu-O-S,7.0,A2BC2D2_tP7_123_h_a_f_g:Ba-Cu-O-S +mp-1102297,BaGdCuS3,-7.3761560317,-1.9588804566,0.0,-0.0672079667,GGA,Cmcm,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Gd-S,12.0,ABCD3_oC24_63_c_c_a_cf:Ba-Cu-Gd-S +mp-1177484,Li4Nb3V2Ni3O16,-7.8064755825,-2.3566595773,0.0885134485,0.0885134485,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Nb-Ni-O-V,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Nb-Ni-O-V, expected Li4Nb3V2Ni3O20 to be Li4Nb3V2Ni3O16" +mp-770999,Li4Nb3V3(NiO8)2,-8.0202002175,-2.4523924483,0.0885396215,0.0885396215,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Nb-Ni-O-V,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Nb-Ni-O-V, expected Li4Nb3V3(NiO10)2 to be Li4Nb3V3(NiO8)2" +mp-1177321,Li4Nb2V3Ni3O16,-7.757883277899999,-2.3444029501,0.0296185205,0.0296185205,GGA+U,P1,A4B2C3D16E3_aP28_1_4a_2a_3a_16a_3a:Li-Nb-Ni-O-V,28.0,A4B2C3D16E3_aP28_1_4a_2a_3a_16a_3a:Li-Nb-Ni-O-V +mp-776390,Li4Nb2V3Ni3O16,-7.7673043304,-2.3538240026,0.020197468,0.020197468,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Nb-Ni-O-V,28.0,A4B2C3D16E3_aP28_1_4a_2a_3a_16a_3a:Li-Nb-Ni-O-V +mp-1517428,KPrGdGeO6,-8.106529509,-2.6794708026,0.2014225317,0.2014225317,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Gd-Ge-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Gd-Ge-K-O-Pr +mp-677703,Nd4Si4N7ClO3,-8.2822337139,-2.186553234,0.0052291959,0.0052291959,GGA,P2_12_12_1,AB7C4D3E4_oP76_19_a_7a_4a_3a_4a:Cl-N-Nd-O-Si,76.0,"Invalid WP multiplicities - AB7C4D3E4_oP76_19_a_25a_13a_9a_13a:Cl-N-Nd-O-Si, expected Nd13Si13N25ClO9 to be Nd4Si4N7ClO3" +mp-560830,Nd3Si2ClO8,-8.3438559896,-3.5883470820000003,0.0138468,-0.0081595602,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:Cl-Nd-O-Si,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_e_2e2f_16f_f:Cl-Nd-O-Si, expected Nd6Si2ClO32 to be Nd3Si2ClO8" +mp-559764,Nd3Si2ClO8,-8.3577027896,-3.602193882,0.0,-0.0220063602,GGA,Pnma,AB3C8D2_oP56_62_c_cd_4d_d:Cl-Nd-O-Si,56.0,"Invalid WP multiplicities - AB3C8D2_oP56_62_c_2c3d_24d_d:Cl-Nd-O-Si, expected Nd8Si2ClO48 to be Nd3Si2ClO8" +mp-686617,Nd10Si10N17ClO9,-8.4147661829,-2.2440469614,0.0016168372,0.0016168372,GGA,P1,AB17C10D9E10_aP94_1_2a_34a_20a_18a_20a:Cl-N-Nd-O-Si,94.0,AB17C10D9E10_aP94_1_2a_34a_20a_18a_20a:Cl-N-Nd-O-Si +mp-1199138,MgH18Br2O9,-5.038882782,-1.3623626513,0.0,-0.0066920924,GGA,C2/c,A2B18CD9_mC120_15_f_9f_a_e4f:Br-H-Mg-O,60.0,A2B18CD9_mC120_15_f_9f_c_e4f:Br-H-Mg-O +mp-1203195,Mg2CdH24(BrO2)6,-4.8112535251,-1.3839799817,0.0,-0.0013711911,GGA,R-3,A6BC24D2E12_hR135_148_f_a_4f_c_2f:Br-Cd-H-Mg-O,45.0,A6BC24D2E12_hR135_148_f_a_4f_c_2f:Br-Cd-H-Mg-O +mp-24509,CdH4(BrO4)2,-4.6830826845,-0.8715253318,0.0,-0.0955008663,GGA,P2_12_12_1,A2BC4D8_oP60_19_2a_a_4a_8a:Br-Cd-H-O,60.0,"Invalid WP multiplicities - A2BC4D8_oP60_19_2a_a_4a_14a:Br-Cd-H-O, expected CdH4(BrO7)2 to be CdH4(BrO4)2" +mp-1213914,CdH2(BrO3)2,-3.7379072736,-0.0565862939,0.7147184502,0.7147184502,GGA,P2_12_12_1,A2BC2D6_oP44_19_2a_a_2a_6a:Br-Cd-H-O,44.0,A2BC2D6_oP44_19_2a_a_2a_6a:Br-Cd-H-O +mp-1190888,MgH12(BrO3)2,-4.9633720048,-1.3872205039,0.0016827637,0.0016827637,GGA,C2/m,A2B12CD6_mC42_12_i_2i2j_a_ij:Br-H-Mg-O,21.0,A2B12CD6_mC42_12_i_2i2j_a_ij:Br-H-Mg-O +mp-24006,MgH12(BrO6)2,-5.0700518819,-1.1893365565,0.0,-0.0283406202,GGA,Pa-3,A2B12CD12_cP108_205_c_2d_a_2d:Br-H-Mg-O,108.0,"Invalid WP multiplicities - A2B12CD12_cP108_205_c_3d_a_3d:Br-H-Mg-O, expected MgH18(BrO9)2 to be MgH12(BrO6)2" +mp-1210652,Mg(H3Br)2,-2.8443964900000003,-0.0596528256,0.5802523722,0.5802523722,GGA,C2/m,A2B6C_mC18_12_i_ij_a:Br-H-Mg,9.0,A2B6C_mC18_12_i_ij_a:Br-H-Mg +mp-558998,K2Cu(Si2O5)2,-7.3740443666,-2.8159170845,0.0019636393,0.0019636393,GGA,P2_1/m,AB2C10D4_mP68_11_f_4e_4e8f_4f:Cu-K-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_11_f_7e_8e27f_13f:Cu-K-O-Si, expected K7Cu2(Si13O31)2 to be K2Cu(Si2O5)2" +mp-1196579,Cs2CuSi5O12,-7.4878983391,-2.8690550341,0.0061592591,0.0061592591,GGA,Pbca,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Cu-O-Si,160.0,A2BC12D5_oP160_61_2c_c_12c_5c:Cs-Cu-O-Si +mp-628617,Cs4K2Cu(SiO4)2,-5.8240207232,-2.2754466172,0.0,-0.0071955183,GGA,P4_2/mnm,A4BC2D8E2_tP34_136_i_a_f_ij_f:Cs-Cu-K-O-Si,34.0,"Invalid WP multiplicities - A4BC2D8E2_tP34_136_i_a_f_6i6j_f:Cs-Cu-K-O-Si, expected Cs4K2Cu(SiO24)2 to be Cs4K2Cu(SiO4)2" +mp-556177,Cs2Cu2Si8O19,-7.6244372835,-2.8702809017,0.0,-0.0096276222,GGA,P2_1/m,A2B2C19D8_mP62_11_2e_f_a4e7f_4f:Cs-Cu-O-Si,62.0,"Invalid WP multiplicities - A2B2C19D8_mP62_11_2e_f_2a8e26f_13f:Cs-Cu-O-Si, expected CsCuSi13O31 to be Cs2Cu2Si8O19" +mp-560675,K6Cu(SiO4)2,-5.9182992753,-2.3191377399,0.0,-0.0066790959,GGA,P-1,AB6C8D2_aP17_2_a_3i_4i_i:Cu-K-O-Si,17.0,"Invalid WP multiplicities - AB6C8D2_aP17_2_a_5i_6i_i:Cu-K-O-Si, expected K10Cu(SiO6)2 to be K6Cu(SiO4)2" +mp-561495,Cs4CuSi2O7,-6.1789137136,-2.3818941995,0.0,-0.0020102055,GGA,P-1,A4BC7D2_aP14_2_2i_a_b3i_i:Cs-Cu-O-Si,14.0,"Invalid WP multiplicities - A4BC7D2_aP14_2_2i_a_b5i_i:Cs-Cu-O-Si, expected Cs4CuSi2O11 to be Cs4CuSi2O7" +mp-557693,CsZnPO4,-6.4183555884,-2.5104693979,0.0,-0.0859629816,GGA,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Cs-O-P-Zn,56.0,"Invalid WP multiplicities - AB4CD_mP56_14_5e_30e_6e_4e:Cs-O-P-Zn, expected Cs5Zn4(PO5)6 to be CsZnPO4" +mp-559752,CsZnPO4,-6.4164734864,-2.5085872959,0.001882102,-0.0840808796,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Cs-O-P-Zn,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_11a_a_a:Cs-O-P-Zn, expected CsZnPO11 to be CsZnPO4" +mp-18673,CsZnPO4,-6.4042327321,-2.4963465416,0.0141228563,-0.0718401254,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Cs-O-P-Zn,28.0,AB4CD_oP28_62_c_2cd_c_c:Cs-O-P-Zn +mp-560117,CsMn(PO3)4,-7.6365655647,-2.5770715522,0.0,-0.0168639941,GGA+U,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Cs-Mn-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_22a_7a:Cs-Mn-O-P, expected CsMnP7O22 to be CsMn(PO3)4" +mp-1226446,Cs3MnZn3(PO3)12,-7.2624829905,-2.5594306828,0.0,-0.007094797,GGA+U,Cm,A3BC36D12E3_mC110_8_ab_a_8a14b_4a4b_3a:Cs-Mn-O-P-Zn,55.0,A3BC36D12E3_mC110_8_ab_a_8a14b_4a4b_3a:Cs-Mn-O-P-Zn +mp-1226351,CsMn2(PO3)6,-7.8029396689,-2.5903602319,0.0,-0.0044981412,GGA+U,P1,AB2C18D6_aP27_1_a_2a_18a_6a:Cs-Mn-O-P,54.0,"Invalid WP multiplicities - AB2C18D6_aP27_1_a_4a_18a_6a:Cs-Mn-O-P, expected CsMn4(PO3)6 to be CsMn2(PO3)6" +mp-1225984,CsMn2(PO3)6,-7.8010928085,-2.5885133715,0.0018468604,-0.0026512808,GGA+U,Cm,AB2C18D6_mC54_8_a_b_2a8b_3b:Cs-Mn-O-P,27.0,AB2C18D6_mC54_8_a_b_2a8b_3b:Cs-Mn-O-P +mp-1213081,CsMn2(PO3)6,-7.7995192311,-2.5869397941,0.0034204378,-0.0010777034,GGA+U,C2/m,AB2C18D6_mC54_12_a_f_i4j_hj:Cs-Mn-O-P,27.0,AB2C18D6_mC54_12_a_e_i4j_hj:Cs-Mn-O-P +mp-1101093,CsZn4P3,-3.0763969112,-0.3046113697,0.0,-0.0724042313,GGA,P4/mmm,AB3C4_tP8_123_a_bh_i:Cs-P-Zn,8.0,AB3C4_tP8_123_a_bh_i:Cs-P-Zn +mp-542450,Cs3Mn4(PO3)12,-7.7534363276,-2.6193510191,0.0,-0.0067435614,GGA+U,C2/m,A3B4C36D12_mC110_12_ah_2i_4i7j_2i2j:Cs-Mn-O-P,55.0,A3B4C36D12_mC110_12_ah_2i_4i7j_2i2j:Cs-Mn-O-P +mp-1226083,CsMn(PO3)6,-7.4500711577,-2.3893930997,0.0515941697,0.0515941697,GGA+U,P-1,ABC18D6_aP26_2_b_d_9i_3i:Cs-Mn-O-P,26.0,"Invalid WP multiplicities - ABC18D6_aP26_2_b_d_17i_5i:Cs-Mn-O-P, expected CsMn(P5O17)2 to be CsMn(PO3)6" +mp-726272,CsZn3(PO4)3,-6.4931794858,-2.2681897354,0.0658837816,0.0658837816,GGA,P-1,AB12C3D3_aP38_2_i_12i_3i_3i:Cs-O-P-Zn,38.0,AB12C3D3_aP38_2_i_12i_3i_3i:Cs-O-P-Zn +mp-572790,Cs2Mn(PO3)4,-7.492103953,-2.6517726584,0.0,-0.0124593851,GGA+U,P2_1/c,A2BC12D4_mP76_14_2e_e_12e_4e:Cs-Mn-O-P,76.0,"Invalid WP multiplicities - A2BC12D4_mP76_14_6e_e_48e_14e:Cs-Mn-O-P, expected Cs6Mn(P7O24)2 to be Cs2Mn(PO3)4" +mp-740731,Al2H12(SeO5)3,-5.6978923352,-1.5450195445,0.0673385895,0.0614822045,GGA,P31c,A2B12C15D3_hP64_159_2b_4c_5c_c:Al-H-O-Se,64.0,A2B12C15D3_hP64_159_2b_4c_5c_c:Al-H-O-Se +mp-707424,Al2H12(SeO5)3,-5.7652309247,-1.612358134,0.0,-0.005856385,GGA,P-62c,A2B12C15D3_hP64_190_f_2i_h2i_h:Al-H-O-Se,64.0,A2B12C15D3_hP64_190_f_2i_h2i_h:Al-H-O-Se +mp-24523,CsAlH24(SeO10)2,-5.4217833782,-1.4219500352,0.0,-0.0106924229,GGA,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Al-Cs-H-O-Se,192.0,"Invalid WP multiplicities - ABC24D20E2_cP192_205_a_b_6d_c3d_c:Al-Cs-H-O-Se, expected CsAlH36(SeO10)2 to be CsAlH24(SeO10)2" +mp-1214960,AlH5(SeO4)2,-5.8055890222,-1.6009303534,0.0,-0.0052556155,GGA,P2_1/c,AB5C8D2_mP32_14_a_d2e_4e_e:Al-H-O-Se,32.0,AB5C8D2_mP32_14_a_d2e_4e_e:Al-H-O-Se +mp-699431,AlH4(SeO4)2,-5.8036524587,-1.5448649483,0.0507792972,0.0507792972,GGA,P2_1/c,AB4C8D2_mP30_14_a_2e_4e_e:Al-H-O-Se,30.0,AB4C8D2_mP30_14_a_2e_4e_e:Al-H-O-Se +mp-1229318,Al2H30Se3O28,-5.4748642972,-1.3753730058,0.0157700202,0.0157700202,GGA,P2_1,A2B30C28D3_mP126_4_2a_30a_28a_3a:Al-H-O-Se,126.0,A2B30C28D3_mP126_4_2a_30a_28a_3a:Al-H-O-Se +mp-616215,FeC3SeO3,-7.3636646556,-0.5521652433,0.6308687484000001,0.6308687484000001,GGA+U,P-1,A3BC3D_aP32_2_6i_2i_6i_2i:C-Fe-O-Se,32.0,"Invalid WP multiplicities - A3BC3D_aP32_2_9i_2i_11i_2i:C-Fe-O-Se, expected Fe2C9Se2O11 to be FeC3SeO3" +mp-652318,CrFe2C10(Se2O5)2,-7.3893307921,-0.6363575389,0.5676633778,0.5676633778,GGA+U,P2_1/c,A10BC2D10E4_mP108_14_10e_e_2e_10e_4e:C-Cr-Fe-O-Se,108.0,"Invalid WP multiplicities - A10BC2D10E4_mP108_14_36e_e_5e_36e_12e:C-Cr-Fe-O-Se, expected CrFe5C36(SeO3)12 to be CrFe2C10(Se2O5)2" +mp-704545,Fe3C10SeO10,-7.6699316383,-0.559118424,0.6919431768000001,0.6919431768000001,GGA+U,P2_1/c,A10B3C10D_mP96_14_10e_3e_10e_e:C-Fe-O-Se,96.0,"Invalid WP multiplicities - A10B3C10D_mP96_14_38e_12e_38e_e:C-Fe-O-Se, expected Fe12C38SeO38 to be Fe3C10SeO10" +mp-629560,Fe3C9Se2O9,-7.5143946798,-0.5587392703,0.653495041,0.653495041,GGA+U,P-1,A9B3C9D2_aP46_2_9i_3i_9i_2i:C-Fe-O-Se,46.0,"Invalid WP multiplicities - A9B3C9D2_aP46_2_17i_6i_17i_4i:C-Fe-O-Se, expected Fe6C17Se4O17 to be Fe3C9Se2O9" +mp-1044636,Y4Cu13Si2(SbO14)2,-6.650201872,-1.8181305737,0.2068531838,0.2068531838,GGA,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Cu-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Cu-O-Sb-Si-Y, expected Y4Cu37Si2(SbO46)2 to be Y4Cu13Si2(SbO14)2" +mp-1261874,Y2Cu3(SiO4)3,-7.5232643943,-2.4799253512,0.3170787963,0.3170787963,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Cu-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Cu-O-Si-Y +mp-1516531,SrNbVSnO6,-8.088141681,-2.6317008124,0.1441340521,0.1441340521,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sn-Sr-V,10.0,AB6CDE_cF40_216_a_f_c_d_b:Nb-O-Sn-Sr-V +mp-1518565,BaEuDyWO6,-9.06907146,-3.1269688523,0.0,-0.0040685297,GGA+U,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Dy-Eu-O-W,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Dy-Eu-O-W, expected BaEuDyWO12 to be BaEuDyWO6" +mp-1518576,BaEuDyWO6,-8.973896178,-3.0317935702,0.095175282,0.0911067523,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Dy-Eu-O-W +mp-11520,YNiSb,-6.42214189,-0.9636055456,0.0,-0.1184129456,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-Y,3.0,ABC_cF12_216_c_a_b:Ni-Sb-Y +mp-1044649,Y4Si2Ni13(SbO14)2,-7.2934231212,-2.0153907998,0.1556653923,0.1556653923,GGA+U,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Ni-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Ni-O-Sb-Si-Y, expected Y4Si2Ni37(SbO46)2 to be Y4Si2Ni13(SbO14)2" +mp-1207758,Y5Ni2Sb,-6.5629838213,-0.5602800504000001,0.0075816696,0.0075816696,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:Ni-Sb-Y,16.0,A2BC5_tI32_140_h_a_cl:Ni-Sb-Y +mp-1363993,Y2Si3(NiO4)3,-7.9143811442,-2.6189025997,0.2669327253,0.2669327253,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ni-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ni-O-Si-Y +mp-1520896,BaYNbSnO6,-8.2203369005,-3.0026913789,0.1209655709,0.1209655709,GGA,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Nb-O-Sn-Y,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Nb-O-Sn-Y, expected BaYNbSnO12 to be BaYNbSnO6" +mp-1520962,BaYNbSnO6,-8.2198944597,-3.0022489382,0.1214080117,0.1214080117,GGA,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sn-Y,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Nb-O-Sn-Y +mp-1520837,BaYNbSnO6,-8.179635385,-2.9619898634,0.1616670864,0.1616670864,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sn-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nb-O-Sn-Y +mp-1522773,KCeNb2O6,-8.681429664,-2.988806619,0.0885879456,0.0885879456,GGA,Fm-3m,ABC2D6_cF40_225_a_b_c_d:Ce-K-Nb-O,10.0,ABC2D6_cF40_225_a_b_c_d:Ce-K-Nb-O +mp-21546,K2CeNb5O15,-8.8647871907,-3.0882331507,0.0028895907,0.0028895907,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Ce-K-Nb-O,46.0,"Invalid WP multiplicities - AB2C5D15_tP46_127_a_g_2c2j_2d4h7i14j:Ce-K-Nb-O, expected K2CeNb10O94 to be K2CeNb5O15" +mp-1520451,KCeNbSnO6,-7.8322417415,-2.7487920151000003,0.18461169,0.18461169,GGA,P4_2/mmc,ABCD6E_tP20_131_c_e_d_iq_f:Ce-K-Nb-O-Sn,20.0,"Invalid WP multiplicities - ABCD6E_tP20_131_c_e_d_2iq_f:Ce-K-Nb-O-Sn, expected KCeNbSnO8 to be KCeNbSnO6" +mp-1520412,KCeNbSnO6,-7.821359488,-2.7379097616,0.1954939435,0.1954939435,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Nb-O-Sn,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Nb-O-Sn +mp-1522565,KCeNb4O12,-9.0098448078,-3.0760129857,0.0746758225,0.0746758225,GGA,Amm2,ABC4D12_oC36_38_a_b_f_2cdef:Ce-K-Nb-O,18.0,"Invalid WP multiplicities - ABC4D12_oC36_38_a_b_f_3c2d2ef:Ce-K-Nb-O, expected KCeNb4O18 to be KCeNb4O12" +mp-1224806,K5AlCr4(MoO4)10,-8.0953924983,-2.1914956651,0.009071868,0.009071868,GGA+U,P-1,AB4C5D10E40_aP120_2_i_ab3i_5i_10i_40i:Al-Cr-K-Mo-O,120.0,"Invalid WP multiplicities - AB4C5D10E40_aP120_2_i_ab5i_10i_20i_80i:Al-Cr-K-Mo-O, expected K10AlCr6(MoO4)20 to be K5AlCr4(MoO4)10" +mp-1211679,KCr(MoO4)2,-8.1600117487,-2.1576570548,0.0,-0.0194355944,GGA+U,C2/c,ABC2D8_mC48_15_c_e_f_4f:Cr-K-Mo-O,24.0,ABC2D8_mC48_15_a_e_f_4f:Cr-K-Mo-O +mp-1104925,KAlCr2O10,-6.8130276779,-1.5538164758000002,0.2906834451,0.2906834451,GGA+U,C2/m,AB2CD10_mC28_12_a_i_c_3ij:Al-Cr-K-O,14.0,AB2CD10_mC28_12_a_i_d_3ij:Al-Cr-K-O +mp-695469,Li3Cr13Ni3(SO4)24,-7.1694285786,-1.9700493783,0.0284804068,0.0284804068,GGA+U,P1,A13B3C3D96E24_aP139_1_13a_3a_3a_96a_24a:Cr-Li-Ni-O-S,139.0,A13B3C3D96E24_aP139_1_13a_3a_3a_96a_24a:Cr-Li-Ni-O-S +mp-770490,LiCr2(SO4)3,-7.2077160742,-2.0419031885,0.0358285844,0.0358285844,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Cr-Li-O-S,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_7e_e_45e_9e:Cr-Li-O-S, expected LiCr7(SO5)9 to be LiCr2(SO4)3" +mp-770353,LiCr2(SO4)3,-7.1806617217,-2.014848836,0.0628829369,0.0628829369,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Cr-Li-O-S,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_9f_e:Cr-Li-O-S, expected LiCr2(SO18)3 to be LiCr2(SO4)3" +mp-772134,Li2Cr3Ni(SO4)6,-7.05778897,-1.9995569396,0.0279509003,0.0279509003,GGA+U,P1,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Ni-O-S,36.0,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Ni-O-S +mp-766088,LiCr3Ni(SO4)6,-7.1318564883,-1.9836441961,0.009440651,0.009440651,GGA+U,P1,A3BCD24E6_aP35_1_3a_a_a_24a_6a:Cr-Li-Ni-O-S,35.0,A3BCD24E6_aP35_1_3a_a_a_24a_6a:Cr-Li-Ni-O-S +mp-850862,Li2Cr(SO4)2,-6.8623939369,-2.1456783502,0.0359524047,0.0359524047,GGA+U,Pbca,AB2C8D2_oP104_61_c_2c_8c_2c:Cr-Li-O-S,104.0,"Invalid WP multiplicities - AB2C8D2_oP104_61_c_5c_29c_5c:Cr-Li-O-S, expected Li5CrS5O29 to be Li2Cr(SO4)2" +mp-774914,Cr3Ni(SO4)6,-7.1458231935,-1.9023376829,0.0042013064,0.0042013064,GGA+U,R3,A3BC24D6_hR102_146_3a_a_8b_2b:Cr-Ni-O-S,34.0,"Invalid WP multiplicities - A3BC24D6_hR102_146_3a_a_20b_4b:Cr-Ni-O-S, expected Cr3Ni(SO5)12 to be Cr3Ni(SO4)6" +mp-861449,LiCr(SO4)2,-7.0268386039,-2.0761402905,0.0257675008,0.0257675008,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Cr-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Cr-Li-O-S +mp-776761,LiCr(SO4)2,-7.0307982503,-2.0800999369,0.0218078544,0.0218078544,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Cr-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Cr-Li-O-S +mp-780338,LiCr(SO4)2,-7.0301729451,-2.0794746317,0.0224331596,0.0224331596,GGA+U,Pc,ABC8D2_mP96_7_4a_4a_32a_8a:Cr-Li-O-S,96.0,ABC8D2_mP96_7_4a_4a_32a_8a:Cr-Li-O-S +mp-770383,Li2Cr2(SO4)3,-7.0791050745,-2.0847074529,0.0488440329,0.0488440329,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Cr-Li-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Cr-Li-O-S, expected Li2Cr2S5O42 to be Li2Cr2(SO4)3" +mp-770410,Li2Cr2(SO4)3,-7.0821814337,-2.0877838122,0.0457676737,0.0457676737,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Cr-Li-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Cr-Li-O-S, expected LiCr(SO7)3 to be Li2Cr2(SO4)3" +mp-1178063,Li2Cr2(SO4)3,-7.069961217,-2.0755635955,0.0579878903,0.0579878903,GGA+U,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Cr-Li-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_5c_5c_45c_9c:Cr-Li-O-S, expected Li5Cr5(SO5)9 to be Li2Cr2(SO4)3" +mp-778860,LiNi2(SO4)3,-6.4863160964,-1.7508266318,0.0314768207,0.0314768207,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Ni-O-S,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_7e_45e_9e:Li-Ni-O-S, expected LiNi7(SO5)9 to be LiNi2(SO4)3" +mp-768614,LiNi2(SO4)3,-6.4912310519,-1.7557415874000002,0.0265618651,0.0265618651,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Li-Ni-O-S,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_9f_e:Li-Ni-O-S, expected LiNi2(SO18)3 to be LiNi2(SO4)3" +mp-768590,Li2Ni2(SO4)3,-6.5043048355,-1.917582034,0.0157517825,0.0157517825,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Li-Ni-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Li-Ni-O-S, expected Li2Ni2S5O42 to be Li2Ni2(SO4)3" +mp-768896,Li2Ni2(SO4)3,-6.511240867,-1.9245180654,0.0088157511,0.0088157511,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Li-Ni-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Li-Ni-O-S, expected LiNi(SO7)3 to be Li2Ni2(SO4)3" +mp-764857,Li2Ni2(SO4)3,-6.4815869305,-1.8948641289,0.0384696876,0.0384696876,GGA+U,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Li-Ni-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_5c_5c_45c_9c:Li-Ni-O-S, expected Li5Ni5(SO5)9 to be Li2Ni2(SO4)3" +mp-560212,Li2Ni(SO4)2,-6.4523138689,-2.0335144969,0.0018033459,0.0018033459,GGA+U,Pbca,A2BC8D2_oP104_61_2c_c_8c_2c:Li-Ni-O-S,104.0,"Invalid WP multiplicities - A2BC8D2_oP104_61_9c_c_58c_8c:Li-Ni-O-S, expected Li9Ni(S4O29)2 to be Li2Ni(SO4)2" +mp-776292,LiNi(SO4)2,-6.4013869619,-1.7734312144,0.0438397511,0.0438397511,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Ni-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Ni-O-S +mp-774590,LiNi(SO4)2,-6.39931788,-1.7713621325000002,0.0459088331,0.0459088331,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Ni-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Ni-O-S +mp-782632,LiNi(SO4)2,-6.3604471244,-1.7324913768,0.0847795887,0.0847795887,GGA+U,Pc,ABC8D2_mP96_7_4a_4a_32a_8a:Li-Ni-O-S,96.0,ABC8D2_mP96_7_4a_4a_32a_8a:Li-Ni-O-S +mp-1045892,AlCu3(WO3)4,-7.9132354225,-1.5514363577,0.4359840479,0.4359840479,GGA+U,P-1,AB3C12D4_aP20_2_a_efg_6i_bcdh:Al-Cu-O-W,20.0,"Invalid WP multiplicities - AB3C12D4_aP20_2_a_efg_11i_bcdh:Al-Cu-O-W, expected AlCu3(W2O11)2 to be AlCu3(WO3)4" +mp-2219878,MgAlCu(WO4)2,-7.9892771146,-2.2250592146,0.1988340412,0.1988340412,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W +mp-2233446,MgAlCu(WO4)2,-8.0392499869,-2.2750320869,0.1488611688,0.1488611688,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W +mp-2241036,MgAlCu(WO4)2,-7.8781592,-2.1139413,0.3099519558,0.3099519558,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Al-Cu-Mg-O-W +mp-1047109,AlCu(WO4)2,-8.2432116683,-2.1319989475,0.135174461,0.135174461,GGA+U,P-1,ABC8D2_aP12_2_b_d_4i_i:Al-Cu-O-W,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_b_d_8i_i:Al-Cu-O-W, expected AlCu(WO8)2 to be AlCu(WO4)2" +mp-1047770,AlCu(WO4)2,-8.2908120212,-2.1795993004,0.0875741081,0.0875741081,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Cu-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Cu-O-W +mp-1228126,Al5CuW2,-6.2376386225000005,-0.1447203375,0.0050973195,0.0050973195,GGA,P4/mmm,A5BC2_tP8_123_ai_d_bc:Al-Cu-W,8.0,A5BC2_tP8_123_ai_d_bc:Al-Cu-W +mp-603609,AlH20Ru(Cl3O5)2,-5.0823004108,-1.3603897176,0.0057646263,0.0057646263,GGA,P2_1/c,AB6C20D10E_mP76_14_a_3e_10e_5e_d:Al-Cl-H-O-Ru,76.0,"Invalid WP multiplicities - AB6C20D10E_mP76_14_a_9e_38e_16e_d:Al-Cl-H-O-Ru, expected AlH76Ru(Cl9O16)2 to be AlH20Ru(Cl3O5)2" +mp-1190676,AlH6ClO4,-5.5073301267,-1.6958948262,0.0089565842,0.0089565842,GGA,C2/c,ABC6D4_mC48_15_e_e_3f_2f:Al-Cl-H-O,24.0,ABC6D4_mC48_15_e_e_3f_2f:Al-Cl-H-O +mp-23743,AlH12(ClO2)3,-5.0996701734,-1.4776687817,0.0,-0.0328952234,GGA,R-3c,AB3C12D6_hR132_167_b_e_2f_f:Al-Cl-H-O,44.0,AB3C12D6_hR132_167_b_e_2f_f:Al-Cl-H-O +mp-2227542,MgMn4(OF)4,-7.4481908646,-2.3958053313,0.2773629115,0.2773629115,GGA+U,P1,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O +mp-2228099,MgMn4(OF)4,-7.5272128854,-2.4748273521,0.1983408908,0.1983408908,GGA+U,P1,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O +mp-2224827,MgMn4(OF)4,-7.5015856923,-2.449200159,0.2239680838,0.2239680838,GGA+U,P1,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O +mp-2233400,MgMn4(OF)4,-7.5802568792,-2.5278713459,0.1452968969,0.1452968969,GGA+U,P1,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O,13.0,A4BC4D4_aP13_1_4a_a_4a_4a:F-Mg-Mn-O +mp-2230413,MgMn6(O2F)4,-7.6726788958,-2.2099527188,0.2089999077,0.2089999077,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230015,MgMn6(O2F)4,-7.7558700516,-2.2931438746,0.1258087519,0.1258087519,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230784,MgMn6(O2F)4,-7.6995714868,-2.2368453099,0.1821073166,0.1821073166,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231790,MgMn6(O2F)4,-7.7613913674,-2.2986651904,0.1202874361,0.1202874361,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231791,MgMn6(O2F)4,-7.7772127095,-2.3144865325,0.104466094,0.104466094,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230360,MgMn6(O2F)4,-7.7276632563,-2.2649370793,0.1540155472,0.1540155472,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230942,MgMn6(O2F)4,-7.7566367774,-2.2939106004,0.1250420261,0.1250420261,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230088,MgMn6(O2F)4,-7.7193630605,-2.2566368836,0.162315743,0.162315743,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230952,MgMn6(O2F)4,-7.7350583558,-2.2723321788,0.1466204477,0.1466204477,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230095,MgMn6(O2F)4,-7.7204556447,-2.2577294678,0.1612231588,0.1612231588,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230673,MgMn6(O2F)4,-7.7763042637,-2.3135780867,0.1053745398,0.1053745398,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230751,MgMn6(O2F)4,-7.7007961284,-2.2380699515,0.1808826751,0.1808826751,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230688,MgMn6(O2F)4,-7.7767467563,-2.3140205793,0.1049320472,0.1049320472,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230765,MgMn6(O2F)4,-7.7280097984,-2.2652836215,0.1536690051,0.1536690051,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230408,MgMn6(O2F)4,-7.6791383053,-2.2164121283,0.2025404982,0.2025404982,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231001,MgMn6(O2F)4,-7.6728672521,-2.2101410751,0.2088115514,0.2088115514,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231033,MgMn6(O2F)4,-7.7215128689,-2.258786692,0.1601659345,0.1601659345,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231004,MgMn6(O2F)4,-7.7636070663,-2.3008808893,0.1180717372,0.1180717372,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231286,MgMn6(O2F)4,-7.7305668163,-2.2678406393,0.1511119872,0.1511119872,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230719,MgMn6(O2F)4,-7.7554194784,-2.2926933015,0.1262593251,0.1262593251,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230495,MgMn6(O2F)4,-7.6747847095,-2.2120585325,0.206894094,0.206894094,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230867,MgMn6(O2F)4,-7.6821697995,-2.2194436225,0.199509004,0.199509004,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231023,MgMn6(O2F)4,-7.7475897584,-2.2848635815,0.1340890451,0.1340890451,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231109,MgMn6(O2F)4,-7.7192693884,-2.2565432115,0.1624094151,0.1624094151,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_mP19_6_2a2b_a_3a3b_4a4b:F-Mg-Mn-O +mp-2231041,MgMn6(O2F)4,-7.6777391621,-2.2150129851,0.2039396414,0.2039396414,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230185,MgMn6(O2F)4,-7.76392448,-2.301198303,0.1177543235,0.1177543235,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230519,MgMn6(O2F)4,-7.7179847321,-2.2552585551,0.1636940714,0.1636940714,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230504,MgMn6(O2F)4,-7.7353028768,-2.2725766999,0.1463759266,0.1463759266,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230231,MgMn6(O2F)4,-7.6807098674,-2.2179836904,0.2009689361,0.2009689361,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230236,MgMn6(O2F)4,-7.6722345484,-2.2095083715,0.2094442551,0.2094442551,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231117,MgMn6(O2F)4,-7.7771877137,-2.3144615367,0.1044910898,0.1044910898,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230855,MgMn6(O2F)4,-7.6437507058,-2.1810245288,0.2379280977,0.2379280977,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230564,MgMn6(O2F)4,-7.7183200068,-2.2555938299,0.1633587966,0.1633587966,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2231446,MgMn6(O2F)4,-7.7259693611,-2.2632431841,0.1557094424,0.1557094424,GGA+U,P1,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O,19.0,A4BC6D8_aP19_1_4a_a_6a_8a:F-Mg-Mn-O +mp-2230426,MgMn6(O2F)4,-7.7105674226,-2.2478412457,0.1711113809,0.1711113809,GGA+U,P-1,A4BC6D8_aP19_2_2i_c_ab2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_c_ab3i_6i:F-Mg-Mn-O, expected MgMn8(O2F)6 to be MgMn6(O2F)4" +mp-2230652,MgMn6(O2F)4,-7.7171546047,-2.2544284278,0.1645241988,0.1645241988,GGA+U,P-1,A4BC6D8_aP19_2_2i_a_bc2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_a_bc3i_6i:F-Mg-Mn-O, expected MgMn8(O2F)6 to be MgMn6(O2F)4" +mp-2231235,MgMn6(O2F)4,-7.731381865799999,-2.2686556888,0.1502969377,0.1502969377,GGA+U,P-1,A4BC6D8_aP19_2_2i_b_ae2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_b_ae2i_7i:F-Mg-Mn-O, expected MgMn6(O7F3)2 to be MgMn6(O2F)4" +mp-2231825,MgMn6(O2F)4,-7.74490688,-2.282180703,0.1367719235,0.1367719235,GGA+U,P-1,A4BC6D8_aP19_2_2i_c_be2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_4i_c_be3i_7i:F-Mg-Mn-O, expected MgMn8(O7F4)2 to be MgMn6(O2F)4" +mp-2231896,MgMn6(O2F)4,-7.6525550763,-2.1898288993,0.2291237272,0.2291237272,GGA+U,P-1,A4BC6D8_aP19_2_2i_a_cd2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_a_cd2i_7i:F-Mg-Mn-O, expected MgMn6(O7F3)2 to be MgMn6(O2F)4" +mp-2230578,MgMn6(O2F)4,-7.7622496305,-2.2995234536,0.119429173,0.119429173,GGA+U,P-1,A4BC6D8_aP19_2_2i_b_ae2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_4i_b_ae3i_8i:F-Mg-Mn-O, expected MgMn8(O2F)8 to be MgMn6(O2F)4" +mp-2230612,MgMn6(O2F)4,-7.7249487884,-2.2622226115,0.1567300151,0.1567300151,GGA+U,P-1,A4BC6D8_aP19_2_2i_b_ae2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_b_ae2i_7i:F-Mg-Mn-O, expected MgMn6(O7F3)2 to be MgMn6(O2F)4" +mp-2231461,MgMn6(O2F)4,-7.7465856442,-2.2838594672,0.1350931593,0.1350931593,GGA+U,P-1,A4BC6D8_aP19_2_2i_b_ae2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_4i_b_ae3i_8i:F-Mg-Mn-O, expected MgMn8(O2F)8 to be MgMn6(O2F)4" +mp-2230324,MgMn6(O2F)4,-7.7613846016,-2.2986584246,0.1202942019,0.1202942019,GGA+U,P-1,A4BC6D8_aP19_2_2i_c_ab2i_4i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_aP19_2_3i_c_ab3i_6i:F-Mg-Mn-O, expected MgMn8(O2F)6 to be MgMn6(O2F)4" +mp-2231263,MgMn6(O2F)4,-7.7336047879,-2.2708786109,0.1480740156,0.1480740156,GGA+U,P2,A4BC6D8_mP19_3_2e_c_ab2e_4e:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_10_m2n_e_bc2mn_4m4n:F-Mg-Mn-O, expected MgMn8(O8F3)2 to be MgMn6(O2F)4" +mp-2231152,MgMn6(O2F)4,-7.7087556326,-2.2460294557,0.1729231709,0.1729231709,GGA+U,C2,A4BC6D8_mC38_5_2c_a_ab2c_2b3c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mC38_5_3c_a_ab4c_2b5c:F-Mg-Mn-O, expected MgMn10(O2F)6 to be MgMn6(O2F)4" +mp-2230407,MgMn6(O2F)4,-7.6826454111,-2.2199192341,0.1990333924,0.1990333924,GGA+U,Pm,A4BC6D8_mP19_6_2a2b_a_3a3b_4a4b:F-Mg-Mn-O,19.0,A4BC6D8_mP19_6_2a2b_a_3a3b_4a4b:F-Mg-Mn-O +mp-2231984,MgMn6(O2F)4,-7.6984528405,-2.2357266636,0.183225963,0.183225963,GGA+U,Pm,A4BC6D8_mP19_6_2c_a_ab2c_2a2b2c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_6_2c_a_ab3c_2a2b2c:F-Mg-Mn-O, expected MgMn8(O2F)4 to be MgMn6(O2F)4" +mp-2231272,MgMn6(O2F)4,-7.688892090499999,-2.2261659136,0.192786713,0.192786713,GGA+U,Cm,A4BC6D8_mC38_8_4a_a_6a_2a3b:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mC38_8_4a_a_6a_2a6b:F-Mg-Mn-O, expected MgMn6(O7F2)2 to be MgMn6(O2F)4" +mp-2231707,MgMn6(O2F)4,-7.6347174237,-2.1719912467,0.2469613798,0.2469613798,GGA+U,Cm,A4BC6D8_mC38_8_2ab_a_6a_4a2b:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mC38_8_2ab_a_6a_4a4b:F-Mg-Mn-O, expected MgMn6(O3F)4 to be MgMn6(O2F)4" +mp-2230073,MgMn6(O2F)4,-7.6453271489,-2.182600972,0.2363516545,0.2363516545,GGA+U,P2/m,A4BC6D8_mP19_10_mn_a_cejk_2o:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_10_m2n_d_bci2k_3o:F-Mg-Mn-O, expected MgMn8(O2F)6 to be MgMn6(O2F)4" +mp-2230437,MgMn6(O2F)4,-7.7129201411,-2.2501939641,0.1687586624,0.1687586624,GGA+U,P2/m,A4BC6D8_mP19_10_mn_c_bdmn_2m2n:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_10_2m2n_b_ce2m2n_3m4n:F-Mg-Mn-O, expected MgMn10(O7F4)2 to be MgMn6(O2F)4" +mp-2230037,MgMn6(O2F)4,-7.7120025842,-2.2492764072,0.1696762193,0.1696762193,GGA+U,P2/m,A4BC6D8_mP19_10_mn_c_bdmn_2m2n:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_10_2m2n_b_ce2m2n_4m3n:F-Mg-Mn-O, expected MgMn10(O7F4)2 to be MgMn6(O2F)4" +mp-2231997,MgMn6(O2F)4,-7.7353090332,-2.2725828562,0.1463697703,0.1463697703,GGA+U,P2/m,A4BC6D8_mP19_10_mn_d_bcmn_2m2n:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_mP19_10_m2n_e_bc2mn_4m4n:F-Mg-Mn-O, expected MgMn8(O8F3)2 to be MgMn6(O2F)4" +mp-2231096,MgMn6(O2F)4,-7.6388339353,-2.1761077583,0.2428448682,0.2428448682,GGA+U,P-4,A4BC6D8_tP19_81_h_a_3g_2h:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A4BC6D8_tP19_81_h_a_6g_8h:F-Mg-Mn-O, expected MgMn12(O8F)4 to be MgMn6(O2F)4" +mp-1189956,BaMnOF5,-5.9231919187,-2.7250576961,0.2624357089,0.2624357089,GGA+U,P2_1/m,AB5CD_mP16_11_e_e2f_a_e:Ba-F-Mn-O,16.0,AB5CD_mP16_11_e_e2f_a_e:Ba-F-Mn-O +mp-1233597,MgMn6O5F7,-7.5357444168,-2.5522618836,0.1321125935,0.1321125935,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O +mp-1233669,MgMn6O5F7,-7.5326334137,-2.5491508805,0.1352235967,0.1352235967,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O +mp-1233971,MgMn6O5F7,-7.5409098147,-2.5574272815,0.1269471956,0.1269471956,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O +mp-1234350,MgMn6O5F7,-7.5147341374,-2.5312516041,0.153122873,0.153122873,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O +mp-1234778,MgMn6O5F7,-7.4283742063,-2.4448916731,0.239482804,0.239482804,GGA+U,P1,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O,19.0,A7BC6D5_aP19_1_7a_a_6a_5a:F-Mg-Mn-O +mp-1233462,MgMn6O5F7,-7.4690052626,-2.4855227294,0.1988517477,0.1988517477,GGA+U,C2,A7BC6D5_mC38_5_a3c_b_ab2c_a2c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A7BC6D5_mC38_5_a4c_b_ab3c_a3c:F-Mg-Mn-O, expected MgMn8O7F9 to be MgMn6O5F7" +mp-1234332,MgMn6O5F7,-7.5374502274,-2.5539676941,0.130406783,0.130406783,GGA+U,C2,A7BC6D5_mC38_5_a3c_b_ab2c_a2c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A7BC6D5_mC38_5_a4c_b_ab3c_a3c:F-Mg-Mn-O, expected MgMn8O7F9 to be MgMn6O5F7" +mp-2232132,MgMn4(OF4)2,-6.9663403367,-2.7374369779,0.1707798682,0.1707798682,GGA+U,Cm,A8BC4D2_mC30_8_8a_a_4a_2a:F-Mg-Mn-O,15.0,A8BC4D2_mC30_8_8a_a_4a_2a:F-Mg-Mn-O +mp-2228824,MgMn6(O3F)3,-7.7811846774,-2.1587106191,0.1685325841,0.1685325841,GGA+U,P1,A3BC6D9_aP19_1_3a_a_6a_9a:F-Mg-Mn-O,19.0,A3BC6D9_aP19_1_3a_a_6a_9a:F-Mg-Mn-O +mp-2228897,MgMn6(O3F)3,-7.7760858363,-2.1536117781,0.1736314251,0.1736314251,GGA+U,Pm,A3BC6D9_mP19_6_ac_b_ab2c_a2b3c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A3BC6D9_mP19_6_ac_b_ab3c_a2b3c:F-Mg-Mn-O, expected MgMn8(O3F)3 to be MgMn6(O3F)3" +mp-2231071,MgMn6O11F,-7.94910003,-2.0071302093,0.1172830643,0.1172830643,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2231244,MgMn6O11F,-7.8944212321,-1.9524514114,0.1719618622,0.1719618622,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230532,MgMn6O11F,-7.952359687399999,-2.0103898666,0.1140234069,0.1140234069,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230135,MgMn6O11F,-7.9438309147,-2.001861094,0.1225521795,0.1225521795,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230801,MgMn6O11F,-7.9175049326,-1.9755351119,0.1488781616,0.1488781616,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230824,MgMn6O11F,-7.94451917,-2.0025493493,0.1218639243,0.1218639243,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230227,MgMn6O11F,-7.9211297332,-1.9791599124,0.1452533611,0.1452533611,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2231437,MgMn6O11F,-7.9556682621,-2.0136984414,0.1107148322,0.1107148322,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230245,MgMn6O11F,-7.9518653042,-2.0098954835,0.11451779,0.11451779,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230614,MgMn6O11F,-7.9037913442,-1.9618215235,0.16259175,0.16259175,GGA+U,P1,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O,19.0,ABC6D11_aP19_1_a_a_6a_11a:F-Mg-Mn-O +mp-2230767,MgMn6O11F,-7.9176415305,-1.9756717098,0.1487415637,0.1487415637,GGA+U,Pm,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O,19.0,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O +mp-2230605,MgMn6O11F,-7.951347293199999,-2.0093774724,0.1150358011,0.1150358011,GGA+U,Pm,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O,19.0,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O +mp-2231020,MgMn6O11F,-7.95403167,-2.0120618493,0.1123514243,0.1123514243,GGA+U,Pm,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O,19.0,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O +mp-2230497,MgMn6O11F,-7.9213741095,-1.9794042888,0.1450089848,0.1450089848,GGA+U,Pm,ABC6D11_mP19_6_a_a_3a3b_5a6b:F-Mg-Mn-O,19.0,ABC6D11_mP19_6_a_a_3a3b_5a6b:F-Mg-Mn-O +mp-2230795,MgMn6O11F,-7.9516853695,-2.0097155488,0.1146977248,0.1146977248,GGA+U,Pm,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O,19.0,ABC6D11_mP19_6_a_b_3a3b_5a6b:F-Mg-Mn-O +mp-2230870,MgMn6O11F,-7.9090642568,-1.9670944361,0.1573188374,0.1573188374,GGA+U,Pm,ABC6D11_mP19_6_a_b_ab2c_a2b4c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - ABC6D11_mP19_6_a_b_ab3c_a2b6c:F-Mg-Mn-O, expected MgMn8O15F to be MgMn6O11F" +mp-1204197,Ba5Mn3O12F,-7.238886845,-2.5554266508,0.0206464864,-0.0032113825,GGA+U,P6_3/m,A5BC3D12_hP42_176_fh_b_h_2hi:Ba-F-Mn-O,42.0,A5BC3D12_hP42_176_fh_b_h_2hi:Ba-F-Mn-O +mp-1214575,Ba5Mn3O12F,-7.2595333314,-2.5760731372,0.0,-0.0238578689,GGA+U,P6_3/m,A5BC3D12_hP42_176_fh_a_h_2hi:Ba-F-Mn-O,42.0,A5BC3D12_hP42_176_fh_a_h_2hi:Ba-F-Mn-O +mp-2228176,MgMn5O7F,-8.1883523486,-2.1920197445,0.1161907293,0.1161907293,GGA+U,Cm,ABC5D7_mC28_8_a_a_3ab_3a2b:F-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC5D7_mC28_8_a_a_3a2b_3a4b:F-Mg-Mn-O, expected MgMn7O11F to be MgMn5O7F" +mp-2226474,MgMn5O7F,-8.2511337943,-2.2548011902,0.0534092836,0.0534092836,GGA+U,R3m,ABC5D7_hR42_160_a_a_2ab_a2b:F-Mg-Mn-O,14.0,"Invalid WP multiplicities - ABC5D7_hR42_160_a_a_2a2b_a6b:F-Mg-Mn-O, expected MgMn8O19F to be MgMn5O7F" +mp-2218749,MgMn4O7F,-7.7954045885,-2.0425860373,0.2284742228,0.2284742228,GGA+U,P1,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O,13.0,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O +mp-2227865,MgMn4O7F,-7.9137953538,-2.1609768027,0.1100834574,0.1100834574,GGA+U,P1,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O,13.0,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O +mp-2233390,MgMn4O7F,-7.8889383469,-2.1361197958,0.1349404643,0.1349404643,GGA+U,P1,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O,13.0,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O +mp-2233693,MgMn4O7F,-7.8930199431,-2.140201392,0.1308588681,0.1308588681,GGA+U,P1,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O,13.0,ABC4D7_aP13_1_a_a_4a_7a:F-Mg-Mn-O +mp-2231732,MgMn6O7F5,-7.6626917342,-2.3597134385,0.1509486113,0.1509486113,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231196,MgMn6O7F5,-7.6833914542,-2.3804131585,0.1302488913,0.1302488913,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230594,MgMn6O7F5,-7.6224493921,-2.3194710964,0.1911909534,0.1911909534,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230233,MgMn6O7F5,-7.7095476895,-2.4065693938,0.1040926561,0.1040926561,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230474,MgMn6O7F5,-7.6195980084,-2.3166197127,0.1940423371,0.1940423371,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230417,MgMn6O7F5,-7.6740540479,-2.3710757522,0.1395862976,0.1395862976,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230263,MgMn6O7F5,-7.6709345311,-2.3679562353,0.1427058145,0.1427058145,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231786,MgMn6O7F5,-7.6578902921,-2.3549119964000003,0.1557500534,0.1557500534,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2229985,MgMn6O7F5,-7.6954390132,-2.3924607174,0.1182013324,0.1182013324,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230315,MgMn6O7F5,-7.6967505179,-2.3937722222,0.1168898276,0.1168898276,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230678,MgMn6O7F5,-7.6689755026,-2.3659972069,0.1446648429,0.1446648429,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230410,MgMn6O7F5,-7.7058306779,-2.4028523822,0.1078096676,0.1078096676,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231028,MgMn6O7F5,-7.6528491653,-2.3498708695,0.1607911803,0.1607911803,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230620,MgMn6O7F5,-7.6530709289,-2.3500926332,0.1605694166,0.1605694166,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230714,MgMn6O7F5,-7.7011517621,-2.3981734664,0.1124885834,0.1124885834,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230715,MgMn6O7F5,-7.6785670905,-2.3755887948,0.135073255,0.135073255,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231124,MgMn6O7F5,-7.6753706632,-2.3723923674,0.1382696824,0.1382696824,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231296,MgMn6O7F5,-7.5779489853,-2.2749706895,0.2356913603,0.2356913603,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231021,MgMn6O7F5,-7.6875661974,-2.3845879016,0.1260741482,0.1260741482,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230445,MgMn6O7F5,-7.6563048889,-2.3533265932000003,0.1573354566,0.1573354566,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231885,MgMn6O7F5,-7.6738505637,-2.370872268,0.1397897818,0.1397897818,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231366,MgMn6O7F5,-7.6314263447,-2.328448049,0.1822140008,0.1822140008,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230761,MgMn6O7F5,-7.6213144926,-2.3183361969,0.1923258529,0.1923258529,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231912,MgMn6O7F5,-7.6618310979,-2.3588528022,0.1518092476,0.1518092476,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230480,MgMn6O7F5,-7.6297054289,-2.3267271332,0.1839349166,0.1839349166,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231353,MgMn6O7F5,-7.6109307084,-2.3079524127,0.2027096371,0.2027096371,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231102,MgMn6O7F5,-7.6578382221,-2.3548599264,0.1558021234,0.1558021234,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230511,MgMn6O7F5,-7.6636908511,-2.3607125553,0.1499494945,0.1499494945,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231097,MgMn6O7F5,-7.6682534942,-2.3652751985,0.1453868513,0.1453868513,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230810,MgMn6O7F5,-7.6903922679,-2.3874139722,0.1232480776,0.1232480776,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230822,MgMn6O7F5,-7.6666685705,-2.3636902748,0.146971775,0.146971775,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230857,MgMn6O7F5,-7.6596422532,-2.3566639574,0.1539980924,0.1539980924,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230257,MgMn6O7F5,-7.6597212889,-2.3567429932,0.1539190566,0.1539190566,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231131,MgMn6O7F5,-7.6566752095,-2.3536969138,0.1569651361,0.1569651361,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231992,MgMn6O7F5,-7.6697073389,-2.3667290432,0.1439330066,0.1439330066,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231435,MgMn6O7F5,-7.6637731395,-2.3607948438,0.1498672061,0.1498672061,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231436,MgMn6O7F5,-7.7000175642,-2.3970392685,0.1136227813,0.1136227813,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231731,MgMn6O7F5,-7.5866829768,-2.2837046811,0.2269573687,0.2269573687,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2231166,MgMn6O7F5,-7.6328046142,-2.3298263185,0.1808357313,0.1808357313,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230323,MgMn6O7F5,-7.6176452968,-2.3146670011,0.1959950487,0.1959950487,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230599,MgMn6O7F5,-7.6929363495,-2.3899580538,0.1207039961,0.1207039961,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-2230611,MgMn6O7F5,-7.6623570632,-2.3593787674,0.1512832824,0.1512832824,GGA+U,P1,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O,19.0,A5BC6D7_aP19_1_5a_a_6a_7a:F-Mg-Mn-O +mp-1233224,MgMn8O13F3,-7.8113916824,-2.013879981,0.1884276061,0.1884276061,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1233266,MgMn8O13F3,-7.8608458076,-2.0633341062,0.1389734809,0.1389734809,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1233324,MgMn8O13F3,-7.8560616176,-2.0585499162,0.1437576709,0.1437576709,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1233376,MgMn8O13F3,-7.825976106,-2.0284644046,0.1738431825,0.1738431825,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1233422,MgMn8O13F3,-7.8378962068,-2.0403845054,0.1619230817,0.1619230817,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1233524,MgMn8O13F3,-7.8503427464,-2.052831045,0.1494765421,0.1494765421,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1234207,MgMn8O13F3,-7.8504356736,-2.0529239722,0.1493836149,0.1493836149,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1234497,MgMn8O13F3,-7.833431344,-2.0359196426,0.1663879445,0.1663879445,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-1234922,MgMn8O13F3,-7.8263169156,-2.0288052142,0.1735023729,0.1735023729,GGA+U,P1,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O,25.0,A3BC8D13_aP25_1_3a_a_8a_13a:F-Mg-Mn-O +mp-2240925,MgMn4(OF2)4,-6.5879408653,-2.274592171,0.3407724485,0.3407724485,GGA+U,P-1,A8BC4D4_aP17_2_4i_a_2i_2i:F-Mg-Mn-O,17.0,"Invalid WP multiplicities - A8BC4D4_aP17_2_7i_a_3i_3i:F-Mg-Mn-O, expected MgMn6(O3F7)2 to be MgMn4(OF2)4" +mp-2220323,MgMn12O17F7,-7.7763148668,-2.1271655581,0.1352058872,0.1352058872,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220204,MgMn12O17F7,-7.7783802932,-2.1292309846,0.1331404607,0.1331404607,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220249,MgMn12O17F7,-7.7737912773,-2.1246419687,0.1377294767,0.1377294767,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220218,MgMn12O17F7,-7.7802034257,-2.1310541171,0.1313173283,0.1313173283,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220209,MgMn12O17F7,-7.7721255592,-2.1229762506,0.1393951948,0.1393951948,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220214,MgMn12O17F7,-7.745555947,-2.0964066384,0.165964807,0.165964807,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220232,MgMn12O17F7,-7.745328917,-2.0961796084,0.166191837,0.166191837,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220266,MgMn12O17F7,-7.7656923422,-2.1165430336,0.1458284118,0.1458284118,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220399,MgMn12O17F7,-7.7492040084,-2.1000546998,0.1623167456,0.1623167456,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220291,MgMn12O17F7,-7.7477978965,-2.0986485879,0.1637228575,0.1637228575,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2220302,MgMn12O17F7,-7.7537253205,-2.1045760119,0.1577954334,0.1577954334,GGA+U,P1,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O,37.0,A7BC12D17_aP37_1_7a_a_12a_17a:F-Mg-Mn-O +mp-2227396,MgMn4(O3F)2,-7.7746111962,-2.2552703176,0.1781968364,0.1781968364,GGA+U,P-1,A2BC4D6_aP13_2_i_d_abi_3i:F-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC4D6_aP13_2_i_d_abi_6i:F-Mg-Mn-O, expected MgMn4(O6F)2 to be MgMn4(O3F)2" +mp-2224779,MgMn4(O3F)2,-7.8099356585,-2.2905947799,0.1428723741,0.1428723741,GGA+U,C2,A2BC4D6_mC26_5_c_a_2bc_3c:F-Mg-Mn-O,13.0,"Invalid WP multiplicities - A2BC4D6_mC26_5_c_a_2bc_6c:F-Mg-Mn-O, expected MgMn4(O6F)2 to be MgMn4(O3F)2" +mp-2226745,MgMn4(O3F)2,-7.8269388515,-2.307597973,0.1258691811,0.1258691811,GGA+U,Cm,A2BC4D6_mC26_8_2a_a_2ab_2a2b:F-Mg-Mn-O,13.0,A2BC4D6_mC26_8_2a_a_2ab_2a2b:F-Mg-Mn-O +mp-2226686,MgMn4(O2F3)2,-7.1996923653,-2.5660943741,0.109791933,0.109791933,GGA+U,P1,A6BC4D4_aP15_1_6a_a_4a_4a:F-Mg-Mn-O,15.0,A6BC4D4_aP15_1_6a_a_4a_4a:F-Mg-Mn-O +mp-2226985,MgMn4(O2F3)2,-7.2245644487,-2.5909664574,0.0849198497,0.0849198497,GGA+U,P1,A6BC4D4_aP15_1_6a_a_4a_4a:F-Mg-Mn-O,15.0,A6BC4D4_aP15_1_6a_a_4a_4a:F-Mg-Mn-O +mp-2226543,MgMn4(O2F3)2,-7.177789534,-2.5441915428,0.1316947643,0.1316947643,GGA+U,P-1,A6BC4D4_aP15_2_3i_a_2i_2i:F-Mg-Mn-O,15.0,"Invalid WP multiplicities - A6BC4D4_aP15_2_5i_a_3i_3i:F-Mg-Mn-O, expected MgMn6(O3F5)2 to be MgMn4(O2F3)2" +mp-2220919,MgMn12(O7F5)2,-7.6337372941,-2.2306860728,0.1729674571,0.1729674571,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220386,MgMn12(O7F5)2,-7.6445178081,-2.2414665868,0.1621869431,0.1621869431,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220229,MgMn12(O7F5)2,-7.6777206711,-2.2746694498,0.1289840801,0.1289840801,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220264,MgMn12(O7F5)2,-7.6341858438,-2.2311346225,0.1725189074,0.1725189074,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220236,MgMn12(O7F5)2,-7.6441431605,-2.2410919393,0.1625615906,0.1625615906,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220243,MgMn12(O7F5)2,-7.637526177,-2.2344749557,0.1691785742,0.1691785742,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220288,MgMn12(O7F5)2,-7.6387082843,-2.235657063,0.1679964669,0.1679964669,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220394,MgMn12(O7F5)2,-7.6693095849,-2.2662583636,0.1373951663,0.1373951663,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220279,MgMn12(O7F5)2,-7.6623117635,-2.2592605422,0.1443929877,0.1443929877,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2220305,MgMn12(O7F5)2,-7.622095553,-2.2190443317,0.1846091982,0.1846091982,GGA+U,P1,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O,37.0,A10BC12D14_aP37_1_10a_a_12a_14a:F-Mg-Mn-O +mp-2230516,MgMn6(OF)6,-7.5965505826,-2.4533201682,0.1490513049,0.1490513049,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230634,MgMn6(OF)6,-7.5269614642,-2.3837310497,0.2186404234,0.2186404234,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230370,MgMn6(OF)6,-7.5554556142,-2.4122251997,0.1901462734,0.1901462734,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230677,MgMn6(OF)6,-7.5928237295,-2.449593315,0.1527781581,0.1527781581,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230587,MgMn6(OF)6,-7.5654010432,-2.4221706287,0.1802008444,0.1802008444,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230327,MgMn6(OF)6,-7.5339432737,-2.3907128592,0.2116586139,0.2116586139,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2228786,MgMn6(OF)6,-7.5398213195,-2.396590905,0.2057805681,0.2057805681,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230353,MgMn6(OF)6,-7.5273804558,-2.3841500413,0.2182214318,0.2182214318,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2231009,MgMn6(OF)6,-7.5673424605,-2.4241120461,0.178259427,0.178259427,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230242,MgMn6(OF)6,-7.5676349658,-2.4244045513,0.1779669218,0.1779669218,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230494,MgMn6(OF)6,-7.56265171,-2.4194212955,0.1829501776,0.1829501776,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230293,MgMn6(OF)6,-7.5346816053,-2.3914511908,0.2109202823,0.2109202823,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230311,MgMn6(OF)6,-7.5773057721,-2.4340753576,0.1682961155,0.1682961155,GGA+U,P1,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O,19.0,A6BC6D6_aP19_1_6a_a_6a_6a:F-Mg-Mn-O +mp-2230290,MgMn6(OF)6,-7.4946071658,-2.3513767513,0.2509947218,0.2509947218,GGA+U,P-1,A6BC6D6_aP19_2_3i_a_cd2i_3i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A6BC6D6_aP19_2_5i_a_cd2i_5i:F-Mg-Mn-O, expected MgMn6(OF)10 to be MgMn6(OF)6" +mp-2231164,MgMn6(OF)6,-7.5873234347,-2.4440930203,0.1582784528,0.1582784528,GGA+U,P2,A6BC6D6_mP19_3_3e_c_ab2e_3e:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A6BC6D6_mP19_3_5e_c_ab3e_6e:F-Mg-Mn-O, expected MgMn8(O6F5)2 to be MgMn6(OF)6" +mp-2231050,MgMn6(OF)6,-7.6039434495,-2.460713035,0.1416584381,0.1416584381,GGA+U,P2,A6BC6D6_mP19_3_3e_a_bc2e_3e:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A6BC6D6_mP19_10_4mn_c_ae2mn_2m4n:F-Mg-Mn-O, expected MgMn8(O6F5)2 to be MgMn6(OF)6" +mp-2228801,MgMn6(OF)6,-7.5865244447,-2.4432940303,0.1590774428,0.1590774428,GGA+U,Pm,A6BC6D6_mP19_6_ab2c_a_ab2c_ab2c:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A6BC6D6_mP19_6_ab2c_a_ab3c_ab2c:F-Mg-Mn-O, expected MgMn8(OF)6 to be MgMn6(OF)6" +mp-2228362,MgMn6(OF)6,-7.5681817726,-2.4249513582,0.1774201149,0.1774201149,GGA+U,Pm,A6BC6D6_mP19_6_4a2b_a_3a3b_2a4b:F-Mg-Mn-O,19.0,A6BC6D6_mP19_6_4a2b_a_3a3b_2a4b:F-Mg-Mn-O +mp-2228425,MgMn6(OF)6,-7.5680740079,-2.4248435934,0.1775278797,0.1775278797,GGA+U,Pm,A6BC6D6_mP19_6_3a3b_a_3a3b_3a3b:F-Mg-Mn-O,19.0,A6BC6D6_mP19_6_3a3b_a_3a3b_3a3b:F-Mg-Mn-O +mp-2230903,MgMn6(OF)6,-7.5779106589,-2.4346802445,0.1676912286,0.1676912286,GGA+U,Pm,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O,19.0,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O +mp-2230455,MgMn6(OF)6,-7.5935439858,-2.4503135713,0.1520579018,0.1520579018,GGA+U,Pm,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O,19.0,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O +mp-2230789,MgMn6(OF)6,-7.597183109499999,-2.453952695,0.1484187781,0.1484187781,GGA+U,Pm,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O,19.0,A6BC6D6_mP19_6_a5b_a_3a3b_5ab:F-Mg-Mn-O +mp-2231262,MgMn6(OF)6,-7.6055352368,-2.4623048224,0.1400666507,0.1400666507,GGA+U,P2/m,A6BC6D6_mP19_10_2mn_a_cemn_m2n:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A6BC6D6_mP19_10_4mn_c_ae2mn_2m4n:F-Mg-Mn-O, expected MgMn8(O6F5)2 to be MgMn6(OF)6" +mp-1233725,Ba10MgMn6(O12F)2,-7.1524731802,-2.5407148498,0.0906668653,0.0906668653,GGA+U,P1,A10B2CD6E24_aP43_1_10a_2a_a_6a_24a:Ba-F-Mg-Mn-O,43.0,A10B2CD6E24_aP43_1_10a_2a_a_6a_24a:Ba-F-Mg-Mn-O +mp-1234925,Ba10MgMn6(O12F)2,-7.1406297614,-2.528871431,0.1025102841,0.1025102841,GGA+U,P-1,A10B2CD6E24_aP43_2_5i_ad_c_3i_12i:Ba-F-Mg-Mn-O,43.0,"Invalid WP multiplicities - A10B2CD6E24_aP43_2_10i_ad_c_6i_24i:Ba-F-Mg-Mn-O, expected Ba20MgMn12(O24F)2 to be Ba10MgMn6(O12F)2" +mp-1233273,Ba10MgMn6(O12F)2,-7.1145663949,-2.5028080645,0.1285736506,0.1285736506,GGA+U,Pm,A10B2CD6E24_mP43_6_3a3b2c_c_a_3a3b_6a6b6c:Ba-F-Mg-Mn-O,43.0,"Invalid WP multiplicities - A10B2CD6E24_mP43_6_3a3b3c_c_a_3a3b_6a6b12c:Ba-F-Mg-Mn-O, expected Ba12MgMn6(O18F)2 to be Ba10MgMn6(O12F)2" +mp-1233415,Ba10MgMn6(O12F)2,-7.1092317809,-2.4974734505,0.1339082646,0.1339082646,GGA+U,Pm,A10B2CD6E24_mP43_6_3a3b2c_c_a_3a3b_6a6b6c:Ba-F-Mg-Mn-O,43.0,"Invalid WP multiplicities - A10B2CD6E24_mP43_6_3a3b3c_c_a_3a3b_6a6b12c:Ba-F-Mg-Mn-O, expected Ba12MgMn6(O18F)2 to be Ba10MgMn6(O12F)2" +mp-1234770,Ba10MgMn6(O12F)2,-7.0630403014,-2.451281971,0.1800997441,0.1800997441,GGA+U,Pm,A10B2CD6E24_mP43_6_3a3b2c_c_a_3a3b_6a6b6c:Ba-F-Mg-Mn-O,43.0,"Invalid WP multiplicities - A10B2CD6E24_mP43_6_3a3b3c_c_a_3a3b_6a6b12c:Ba-F-Mg-Mn-O, expected Ba12MgMn6(O18F)2 to be Ba10MgMn6(O12F)2" +mp-2232925,MgMn5O9F,-7.9230806356,-2.0579535182,0.1260350937,0.1260350937,GGA+U,P1,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O,16.0,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O +mp-2233197,MgMn5O9F,-7.9446051088,-2.0794779913,0.1045106205,0.1045106205,GGA+U,P1,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O,16.0,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O +mp-2232671,MgMn5O9F,-7.944020255,-2.0788931376,0.1050954743,0.1050954743,GGA+U,P1,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O,16.0,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O +mp-2232792,MgMn5O9F,-7.9678317956,-2.1027046782,0.0812839337,0.0812839337,GGA+U,P1,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O,16.0,ABC5D9_aP16_1_a_a_5a_9a:F-Mg-Mn-O +mp-1233200,MgMn6(OF2)4,-7.4327938289,-2.609059177,0.1573183042,0.1573183042,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233244,MgMn6(OF2)4,-7.4166443463,-2.5929096943000003,0.1734677868,0.1734677868,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233300,MgMn6(OF2)4,-7.4032809679,-2.5795463159,0.1868311653,0.1868311653,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233431,MgMn6(OF2)4,-7.4332445637,-2.6095099117,0.1568675695,0.1568675695,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233504,MgMn6(OF2)4,-7.4483594137,-2.6246247617,0.1417527195,0.1417527195,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233507,MgMn6(OF2)4,-7.4143325705,-2.5905979186,0.1757795626,0.1757795626,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1233879,MgMn6(OF2)4,-7.4429670626,-2.6192324107,0.1471450705,0.1471450705,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1234034,MgMn6(OF2)4,-7.3984702663,-2.5747356143,0.1916418668,0.1916418668,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-1234708,MgMn6(OF2)4,-7.4323411737,-2.6086065217,0.1577709595,0.1577709595,GGA+U,P1,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O,19.0,A8BC6D4_aP19_1_8a_a_6a_4a:F-Mg-Mn-O +mp-2228329,MgMn6(O5F)2,-7.8824502237,-2.1002282842,0.1353054957,0.1353054957,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228336,MgMn6(O5F)2,-7.8693594168,-2.0871374774,0.1483963026,0.1483963026,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228337,MgMn6(O5F)2,-7.8806070163,-2.0983850768,0.1371487031,0.1371487031,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228342,MgMn6(O5F)2,-7.8440650468,-2.0618431074,0.1736906726,0.1736906726,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228345,MgMn6(O5F)2,-7.8877838853,-2.1055619458,0.1299718341,0.1299718341,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228350,MgMn6(O5F)2,-7.8360194842,-2.0537975447,0.1817362352,0.1817362352,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228355,MgMn6(O5F)2,-7.8696205737,-2.0873986342,0.1481351457,0.1481351457,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2230961,MgMn6(O5F)2,-7.8818628342,-2.0996408947,0.1358928852,0.1358928852,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228378,MgMn6(O5F)2,-7.8521596426,-2.0699377032,0.1655960768,0.1655960768,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228400,MgMn6(O5F)2,-7.8682188774,-2.0859969379,0.149536842,0.149536842,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228406,MgMn6(O5F)2,-7.8721945495,-2.08997261,0.1455611699,0.1455611699,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228411,MgMn6(O5F)2,-7.8244999063,-2.0422779668,0.1932558131,0.1932558131,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_mP19_6_ab_a_3a3b_5a5b:F-Mg-Mn-O +mp-2228428,MgMn6(O5F)2,-7.8347016116,-2.0524796721,0.1830541078,0.1830541078,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228430,MgMn6(O5F)2,-7.8716717495,-2.08944981,0.1460839699,0.1460839699,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228431,MgMn6(O5F)2,-7.8785429747,-2.0963210353,0.1392127447,0.1392127447,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228432,MgMn6(O5F)2,-7.8957767663,-2.1135548268,0.1219789531,0.1219789531,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228434,MgMn6(O5F)2,-7.8442274379,-2.0620054984,0.1735282815,0.1735282815,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228438,MgMn6(O5F)2,-7.8614184747,-2.0791965353,0.1563372447,0.1563372447,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228780,MgMn6(O5F)2,-7.8881993032,-2.1059773637,0.1295564162,0.1295564162,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228796,MgMn6(O5F)2,-7.7958912579,-2.0136693184,0.2218644615,0.2218644615,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228809,MgMn6(O5F)2,-7.8918370816,-2.1096151421,0.1259186378,0.1259186378,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228811,MgMn6(O5F)2,-7.8727208142,-2.0904988747,0.1450349052,0.1450349052,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228820,MgMn6(O5F)2,-7.8732266784,-2.091004739,0.144529041,0.144529041,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228832,MgMn6(O5F)2,-7.86993726,-2.0877153205,0.1478184594,0.1478184594,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228839,MgMn6(O5F)2,-7.8465089163,-2.0642869768,0.1712468031,0.1712468031,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228840,MgMn6(O5F)2,-7.8943656395,-2.1121437,0.1233900799,0.1233900799,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228845,MgMn6(O5F)2,-7.8243801221,-2.0421581826,0.1933755973,0.1933755973,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228851,MgMn6(O5F)2,-7.8761671895,-2.09394525,0.1415885299,0.1415885299,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228863,MgMn6(O5F)2,-7.8301055516,-2.0478836121,0.1876501678,0.1876501678,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228879,MgMn6(O5F)2,-7.8985533395,-2.1163314,0.1192023799,0.1192023799,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228880,MgMn6(O5F)2,-7.8580550021,-2.0758330626,0.1597007173,0.1597007173,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228888,MgMn6(O5F)2,-7.8683208811,-2.0860989416,0.1494348384,0.1494348384,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228894,MgMn6(O5F)2,-7.8897240189,-2.1075020795,0.1280317005,0.1280317005,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228896,MgMn6(O5F)2,-7.8989586895,-2.11673675,0.1187970299,0.1187970299,GGA+U,P1,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O,19.0,A2BC6D10_aP19_1_2a_a_6a_10a:F-Mg-Mn-O +mp-2228340,MgMn6(O5F)2,-7.9140842437,-2.1318623042,0.1036714757,0.1036714757,GGA+U,P-1,A2BC6D10_aP19_2_i_a_bc2i_5i:F-Mg-Mn-O,19.0,"Invalid WP multiplicities - A2BC6D10_aP19_2_i_a_bc3i_8i:F-Mg-Mn-O, expected MgMn8(O8F)2 to be MgMn6(O5F)2" +mp-1386487,Ca2TiN2,-6.884440258,-1.1685039327,0.1235656747,0.1235656747,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Ca-N-Ti,10.0,A2B2C_mC20_12_2i_2i_i:Ca-N-Ti +mp-26245,Li3Bi2P5O18,-7.0650099109,-2.4394864753,0.0467861185,0.0467861185,GGA,P-1,A2B3C18D5_aP56_2_2i_3i_18i_5i:Bi-Li-O-P,56.0,"Invalid WP multiplicities - A2B3C18D5_aP56_2_3i_4i_35i_10i:Bi-Li-O-P, expected Li4Bi3(P2O7)5 to be Li3Bi2P5O18" +mp-760637,LiBiP2O7,-7.1499193841,-2.4951159306,0.0547026267,0.0547026267,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Bi-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_13i_3i:Bi-Li-O-P, expected LiBiP3O13 to be LiBiP2O7" +mp-584134,LiBiP2O7,-7.1725498855,-2.5177464319,0.0320721254,0.0320721254,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Bi-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_14i_2i:Bi-Li-O-P, expected LiBi(PO7)2 to be LiBiP2O7" +mp-760629,LiBiP2O7,-7.1457335309,-2.4909300774,0.0588884799,0.0588884799,GGA,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Bi-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_13a_3a:Bi-Li-O-P, expected LiBiP3O13 to be LiBiP2O7" +mp-26209,LiBiP2O7,-7.1935897905,-2.5387863369,0.0110322204,0.0110322204,GGA,P2_1,ABC7D2_mP22_4_a_a_7a_2a:Bi-Li-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mP22_4_a_a_12a_2a:Bi-Li-O-P, expected LiBi(PO6)2 to be LiBiP2O7" +mp-759568,LiBiP2O7,-7.1502333227,-2.4954298692,0.0543886881,0.0543886881,GGA,C2,ABC7D2_mC22_5_a_a_b3c_c:Bi-Li-O-P,11.0,"Invalid WP multiplicities - ABC7D2_mC22_5_a_a_b5c_c:Bi-Li-O-P, expected LiBiP2O11 to be LiBiP2O7" +mp-672979,LiBiP2O7,-7.1845703786,-2.5297669251,0.0200516322,0.0200516322,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_20e_5e:Bi-Li-O-P, expected LiBi(PO4)5 to be LiBiP2O7" +mp-758780,LiBiP2O7,-7.1485210098,-2.4937175562,0.0561010011,0.0561010011,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_3e:Bi-Li-O-P, expected LiBi(PO9)3 to be LiBiP2O7" +mp-759673,LiBiP2O7,-7.1539666009,-2.4991631474,0.0506554099,0.0506554099,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_3e:Bi-Li-O-P, expected LiBiP3O25 to be LiBiP2O7" +mp-684489,LiBiP2O7,-7.1706695916,-2.5158661381,0.0339524192,0.0339524192,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_22e_5e:Bi-Li-O-P, expected LiBiP5O22 to be LiBiP2O7" +mp-26129,LiBiP2O7,-7.1962925284,-2.5414890749,0.0083294824,0.0083294824,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_6e:Bi-Li-O-P, expected LiBiP6O25 to be LiBiP2O7" +mp-759029,LiBiP2O7,-7.1270443886,-2.4722409351,0.0775776222,0.0775776222,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_3e:Bi-Li-O-P, expected LiBi(PO9)3 to be LiBiP2O7" +mp-759122,LiBiP2O7,-7.121695573,-2.4668921194,0.0829264379,0.0829264379,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_13e_3e:Bi-Li-O-P, expected LiBiP3O13 to be LiBiP2O7" +mp-759596,LiBiP2O7,-7.1427838277,-2.4879803742,0.0618381831,0.0618381831,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_7e:Bi-Li-O-P, expected LiBiP7O27 to be LiBiP2O7" +mp-757559,LiBiP2O7,-7.1510771395,-2.496273686,0.0535448713,0.0535448713,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_27e_5e:Bi-Li-O-P, expected LiBiP5O27 to be LiBiP2O7" +mp-684109,LiBiP2O7,-7.1591425877,-2.5043391342,0.0454794231,0.0454794231,GGA,C2/c,ABC7D2_mC88_15_f_f_7f_2f:Bi-Li-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mC88_15_f_f_25f_4f:Bi-Li-O-P, expected LiBiP4O25 to be LiBiP2O7" +mp-759424,Li7Bi2P7O24,-7.0196560161,-2.5782288925,0.0541379716,0.0541379716,GGA,P2/c,A2B7C24D7_mP80_13_g_e3g_12g_f3g:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B7C24D7_mP80_13_g_e10g_41g_f5g:Bi-Li-O-P, expected Li21Bi2P11O82 to be Li7Bi2P7O24" +mp-554449,Mn2BiPO6,-8.016744414,-2.2909489652,0.0,-0.0103464448,GGA+U,Pnma,AB2C6D_oP40_62_c_2c_2c2d_c:Bi-Mn-O-P,40.0,"Invalid WP multiplicities - AB2C6D_oP40_62_c_4c_6c9d_c:Bi-Mn-O-P, expected Mn4BiPO24 to be Mn2BiPO6" +mp-1177146,Li5Bi(P2O7)2,-6.9546382133,-2.6091400697,0.0461535164,0.0461535164,GGA,P-1,AB5C14D4_aP48_2_i_5i_14i_4i:Bi-Li-O-P,48.0,"Invalid WP multiplicities - AB5C14D4_aP48_2_i_9i_27i_7i:Bi-Li-O-P, expected Li9BiP7O27 to be Li5Bi(P2O7)2" +mp-759650,Li3Bi3(PO4)4,-6.9673817423,-2.4270561501,0.0967211169,0.0967211169,GGA,P2_1/c,A3B3C16D4_mP52_14_ae_de_8e_2e:Bi-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mP52_14_2a3e_2d2e_31e_3e:Bi-Li-O-P, expected Li3Bi4P3O31 to be Li3Bi3(PO4)4" +mp-759263,Li3Bi3(PO4)4,-6.9693583696,-2.4290327774,0.0947444896,0.0947444896,GGA,C2/c,A3B3C16D4_mC104_15_ef_cf_8f_2f:Bi-Li-O-P,52.0,"Invalid WP multiplicities - A3B3C16D4_mC104_15_ef_a2f_29f_3f:Bi-Li-O-P, expected Li5Bi3(P3O29)2 to be Li3Bi3(PO4)4" +mp-759784,Li2Bi2P2O9,-6.8256136547,-2.3692384941,0.0902017988,0.0902017988,GGA,P2_1,A2B2C9D2_mP30_4_2a_2a_9a_2a:Bi-Li-O-P,30.0,"Invalid WP multiplicities - A2B2C9D2_mP30_4_2a_2a_16a_3a:Bi-Li-O-P, expected Li2Bi2P3O16 to be Li2Bi2P2O9" +mp-758731,Li3Bi(PO4)2,-6.809053485,-2.5256697398,0.0858623614,0.0858623614,GGA,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:Bi-Li-O-P,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:Bi-Li-O-P +mp-1101536,Li3Bi(PO4)2,-6.8512615740000005,-2.5678778288,0.0436542724,0.0436542724,GGA,P1,AB3C8D2_aP42_1_3a_9a_24a_6a:Bi-Li-O-P,42.0,AB3C8D2_aP42_1_3a_9a_24a_6a:Bi-Li-O-P +mp-850185,Li3Bi(PO4)2,-6.7955812557,-2.5121975105,0.0993345907,0.0993345907,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Bi-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_11_e_5e_7e4f_3e:Bi-Li-O-P, expected Li5Bi(PO5)3 to be Li3Bi(PO4)2" +mp-760655,Li3Bi(PO4)2,-6.8287687621,-2.5453850169,0.0661470843,0.0661470843,GGA,C2/m,AB3C8D2_mC28_12_a_ci_2ij_i:Bi-Li-O-P,14.0,"Invalid WP multiplicities - AB3C8D2_mC28_12_a_d2i_4ij_i:Bi-Li-O-P, expected Li5Bi(PO6)2 to be Li3Bi(PO4)2" +mp-759624,Li3Bi(PO4)2,-6.8189510007,-2.5355672555,0.0759648457,0.0759648457,GGA,P2_1/c,AB3C8D2_mP56_14_e_3e_8e_2e:Bi-Li-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_mP56_14_e_11e_29e_5e:Bi-Li-O-P, expected Li11BiP5O29 to be Li3Bi(PO4)2" +mp-778460,Li3Bi(PO4)2,-6.8353221411,-2.5519383958,0.0595937054,0.0595937054,GGA,P2_1/c,AB3C8D2_mP112_14_2e_6e_16e_4e:Bi-Li-O-P,112.0,"Invalid WP multiplicities - AB3C8D2_mP112_14_3e_23e_63e_11e:Bi-Li-O-P, expected Li23Bi3P11O63 to be Li3Bi(PO4)2" +mp-760650,Li3Bi(PO4)2,-6.8342276889,-2.5508439437,0.0606881575,0.0606881575,GGA,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:Bi-Li-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mC56_15_c_ef_11f_f:Bi-Li-O-P, expected Li3Bi(PO11)2 to be Li3Bi(PO4)2" +mp-684028,Li3Bi(PO4)2,-6.8462322124,-2.5628484671,0.048683634,0.048683634,GGA,P-3,AB3C8D2_hP42_147_ad_bdg_4g_g:Bi-Li-O-P,42.0,"Invalid WP multiplicities - AB3C8D2_hP42_147_ad_b2d3g_21g_g:Bi-Li-O-P, expected Li23Bi3(PO21)6 to be Li3Bi(PO4)2" +mp-585305,Li9Bi3P8O29,-6.9700703034,-2.5728832448,0.0488075211,0.0488075211,GGA,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Bi-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_b3d5g_4d5f42g_3d4g:Bi-Li-O-P, expected Li37Bi3(P6O55)5 to be Li9Bi3P8O29" +mp-758810,LiBi2P3O11,-7.1476863074,-2.4274872209,0.0770059494,0.0770059494,GGA,C2,A2BC11D3_mC68_5_2c_c_ab10c_ab2c:Bi-Li-O-P,34.0,"Invalid WP multiplicities - A2BC11D3_mC68_5_4c_c_ab20c_ab4c:Bi-Li-O-P, expected LiBi4P5O21 to be LiBi2P3O11" +mp-25802,Li2Bi(PO4)2,-6.8909513615,-2.4249167795,0.0649217383,0.0649217383,GGA,P3,AB2C8D2_hP39_143_abc_abcd_8d_2d:Bi-Li-O-P,39.0,"Invalid WP multiplicities - AB2C8D2_hP39_143_abc_abc2d_22d_6d:Bi-Li-O-P, expected Li3Bi(P3O11)2 to be Li2Bi(PO4)2" +mp-26327,Li6Bi3P8O29,-7.0127950572,-2.4533298991,0.0576083123,0.0576083123,GGA,Cc,A3B6C29D8_mC184_9_3a_6a_29a_8a:Bi-Li-O-P,92.0,"Invalid WP multiplicities - A3B6C29D8_mC184_9_5a_11a_56a_14a:Bi-Li-O-P, expected Li11Bi5(PO4)14 to be Li6Bi3P8O29" +mp-1101585,LiBi(PO4)2,-6.88859028,-2.209463055,0.1278706225,0.1278706225,GGA,P3,ABC8D2_hP36_143_abc_abc_8d_2d:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hP36_147_a2d_bd_20g_g:Bi-Li-O-P, expected Li3Bi5(PO20)6 to be LiBi(PO4)2" +mp-728627,Li5Bi2P5O18,-4.4157610992,0.0286556318,2.6371698261,2.6371698261,GGA,P-1,A2B5C18D5_aP60_2_2i_5i_18i_5i:Bi-Li-O-P,60.0,"Invalid WP multiplicities - A2B5C18D5_aP60_2_3i_8i_34i_10i:Bi-Li-O-P, expected Li8Bi3(P5O17)2 to be Li5Bi2P5O18" +mp-26377,Li5Bi2P5O18,-7.0300915107,-2.5856747797,0.0228394146,0.0228394146,GGA,P-1,A2B5C18D5_aP60_2_2i_5i_18i_5i:Bi-Li-O-P,60.0,"Invalid WP multiplicities - A2B5C18D5_aP60_2_3i_8i_34i_10i:Bi-Li-O-P, expected Li8Bi3(P5O17)2 to be Li5Bi2P5O18" +mp-560153,MnBiPO5,-7.7494456753,-2.3557893647,0.0,-0.0159225263,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Mn-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Bi-Mn-O-P +mp-759653,LiBi2PO6,-6.6792063598,-2.2108727697,0.0503046798,0.0503046798,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Bi-Li-O-P,40.0,"Invalid WP multiplicities - A2BC6D_oP40_60_d_c_9d_c:Bi-Li-O-P, expected LiBi2PO18 to be LiBi2PO6" +mp-1221358,Mn6BiPO12,-8.3261483095,-2.1468409133,0.0170433305,0.0170433305,GGA+U,F-43m,AB6C12D_cF80_216_a_g_3e_b:Bi-Mn-O-P,20.0,AB6C12D_cF80_216_a_g_3e_b:Bi-Mn-O-P +mp-26835,Li3Bi5(PO4)6,-7.0863048126,-2.4513164347,0.0401301039,0.0401301039,GGA,P1,A5B3C24D6_aP38_1_5a_3a_24a_6a:Bi-Li-O-P,38.0,A5B3C24D6_aP38_1_5a_3a_24a_6a:Bi-Li-O-P +mp-26173,LiBi3(PO5)2,-6.92319836,-2.3154557111000003,0.0096291698,0.0096291698,GGA,P1,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Li-O-P,16.0,A3BC10D2_aP16_1_3a_a_10a_2a:Bi-Li-O-P +mp-759735,Li2Bi(PO3)5,-7.2574551946,-2.5215778874,0.0768968584,0.0768968584,GGA,Cc,AB2C15D5_mC92_9_a_2a_15a_5a:Bi-Li-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mC92_9_a_2a_18a_8a:Bi-Li-O-P, expected Li2Bi(P4O9)2 to be Li2Bi(PO3)5" +mp-672993,LiBi2P5O18,-7.0481673706,-2.2136746605,0.1237743607,0.1237743607,GGA,P-1,A2BC18D5_aP52_2_2i_i_18i_5i:Bi-Li-O-P,52.0,"Invalid WP multiplicities - A2BC18D5_aP52_2_3i_i_34i_8i:Bi-Li-O-P, expected LiBi3(P4O17)2 to be LiBi2P5O18" +mp-759915,Li2BiP3O10,-7.1130861322,-2.5277655387,0.0702112424,0.0702112424,GGA,P2_1/m,AB2C10D3_mP32_11_a_f_4e3f_3e:Bi-Li-O-P,32.0,"Invalid WP multiplicities - AB2C10D3_mP32_11_a_f_7e6f_5e:Bi-Li-O-P, expected Li2BiP5O19 to be Li2BiP3O10" +mp-759381,Li3Bi2(PO4)3,-6.9343361932,-2.4839402475,0.0705512115,0.0705512115,GGA,C2/m,A2B3C12D3_mC80_12_aci_3i_6i3j_3i:Bi-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_12_adi_6i_12i12j_6i:Bi-Li-O-P, expected Li3Bi(PO6)3 to be Li3Bi2(PO4)3" +mp-759390,Li3Bi2(PO4)3,-6.91566129,-2.4652653442,0.0892261147,0.0892261147,GGA,P2/c,A2B3C12D3_mP80_13_2g_abefg_12g_ef2g:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_13_5g_2a2b2e2f4g_48g_2e2f7g:Bi-Li-O-P, expected Li8Bi5(P3O16)3 to be Li3Bi2(PO4)3" +mp-684504,Li3Bi2(PO4)3,-6.9689630846,-2.5185671389,0.0359243201,0.0359243201,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_2e_9e_46e_7e:Bi-Li-O-P, expected Li9Bi2P7O46 to be Li3Bi2(PO4)3" +mp-27069,Li3Bi2(PO4)3,-6.9672174798,-2.516821534,0.037669925,0.037669925,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_7e_7e_44e_10e:Bi-Li-O-P, expected Li7Bi7(P5O22)2 to be Li3Bi2(PO4)3" +mp-780333,Li3Bi2(PO4)3,-6.9609595711,-2.5105636254,0.0439278336,0.0439278336,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_5e_9e_45e_9e:Bi-Li-O-P, expected Li9Bi5(PO5)9 to be Li3Bi2(PO4)3" +mp-759290,Li3Bi2(PO4)3,-6.9226083077,-2.472212362,0.082279097,0.082279097,GGA,C2/c,A2B3C12D3_mC80_15_f_cf_6f_ef:Bi-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2c2f_19f_2e3f:Bi-Li-O-P, expected Li3BiP4O19 to be Li3Bi2(PO4)3" +mp-759734,Li3Bi2(PO4)3,-6.9163937246,-2.4659977789,0.0884936801,0.0884936801,GGA,C2/c,A2B3C12D3_mC160_15_2f_ce2f_12f_3f:Bi-Li-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC160_15_5f_2c2e8f_47f_9f:Bi-Li-O-P, expected Li10Bi5P9O47 to be Li3Bi2(PO4)3" +mp-684042,Li3Bi2(PO4)3,-6.9576243385000005,-2.5072283927,0.0472630663,0.0472630663,GGA,C2/c,A2B3C12D3_mC80_15_f_ef_6f_ef:Bi-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2ef_18f_2e2f:Bi-Li-O-P, expected Li2Bi(PO6)3 to be Li3Bi2(PO4)3" +mp-25929,Li3Bi2(PO4)3,-6.966378483,-2.5159825372,0.0385089218,0.0385089218,GGA,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Bi-Li-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_3c_f_18f_f:Bi-Li-O-P, expected LiBiPO18 to be Li3Bi2(PO4)3" +mp-684454,Li3Bi3P8O29,-7.0241931609,-2.2798064477,0.1002238557,0.1002238557,GGA,P1,A3B3C29D8_aP86_1_6a_6a_58a_16a:Bi-Li-O-P,86.0,A3B3C29D8_aP86_1_6a_6a_58a_16a:Bi-Li-O-P +mp-779602,Li3Bi3P8O29,-7.0318807853,-2.2874940721,0.0925362313,0.0925362313,GGA,Cc,A3B3C29D8_mC172_9_3a_3a_29a_8a:Bi-Li-O-P,86.0,"Invalid WP multiplicities - A3B3C29D8_mC172_9_5a_3a_56a_14a:Bi-Li-O-P, expected Li3Bi5(PO4)14 to be Li3Bi3P8O29" +mp-778111,Li3Bi3P8O29,-7.0330521986,-2.2886654854,0.0913648181,0.0913648181,GGA,C2/c,A3B3C29D8_mC172_15_ef_af_e14f_4f:Bi-Li-O-P,86.0,"Invalid WP multiplicities - A3B3C29D8_mC172_15_ef_cf_2e51f_9f:Bi-Li-O-P, expected Li3Bi3(P9O52)2 to be Li3Bi3P8O29" +mp-775601,Li5Mn3Bi2(PO4)6,-7.377663796,-2.4798642315,0.0859314077,0.0859314077,GGA+U,P1,A2B5C3D24E6_aP40_1_2a_5a_3a_24a_6a:Bi-Li-Mn-O-P,40.0,A2B5C3D24E6_aP40_1_2a_5a_3a_24a_6a:Bi-Li-Mn-O-P +mp-759696,Li2Bi3P9O28,-7.2905766038,-2.4675689943,0.0805017042,0.0805017042,GGA,P-1,A3B2C28D9_aP42_2_ai_i_14i_e4i:Bi-Li-O-P,42.0,"Invalid WP multiplicities - A3B2C28D9_aP42_2_ai_i_28i_e8i:Bi-Li-O-P, expected Li2Bi3P17O56 to be Li2Bi3P9O28" +mp-673098,LiBi(PO3)4,-7.3486500572,-2.5284896929,0.0406933508,0.023037142,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Bi-Li-O-P, expected LiBiP7O23 to be LiBi(PO3)4" +mp-759141,LiBi(PO3)4,-7.326535211699999,-2.5063748473,0.0628081964,0.0451519876,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Bi-Li-O-P, expected LiBiP7O23 to be LiBi(PO3)4" +mp-1176818,LiBi(PO3)4,-7.3340401042,-2.5138797398,0.0553033039,0.0376470951,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_7a:Bi-Li-O-P, expected LiBiP7O23 to be LiBi(PO3)4" +mp-25959,LiBi(PO3)4,-7.3438388117,-2.5236784473,0.0455045964,0.0278483876,GGA,C2/m,ABC12D4_mC72_12_i_e_gi5j_2j:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_i_e_h2i13j_5j:Bi-Li-O-P, expected LiBiP10O29 to be LiBi(PO3)4" +mp-673023,LiBi(PO3)4,-7.3578747506,-2.5377143862,0.0314686575,0.0138124487,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_10e:Bi-Li-O-P, expected LiBi(P5O23)2 to be LiBi(PO3)4" +mp-758944,LiBi(PO3)4,-7.3184051215,-2.4982447572,0.0709382865,0.0532820777,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Bi-Li-O-P, expected LiBiP13O45 to be LiBi(PO3)4" +mp-684497,LiBi(PO3)4,-7.3568025524,-2.536642188,0.0325408557,0.0148846469,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_10e:Bi-Li-O-P, expected LiBi(P2O9)5 to be LiBi(PO3)4" +mp-25881,LiBi(PO3)4,-7.3508992876,-2.5307389233,0.0384441204,0.0207879116,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Bi-Li-O-P, expected LiBiP13O45 to be LiBi(PO3)4" +mp-759869,LiBi(PO3)4,-7.3174018464,-2.497241482,0.0719415617,0.0542853529,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_15e:Bi-Li-O-P, expected LiBiP15O47 to be LiBi(PO3)4" +mp-759289,LiBi(PO3)4,-7.3171465694,-2.4969862051,0.0721968386,0.0545406298,GGA,C2/c,ABC12D4_mC72_15_e_a_6f_2f:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_a_23f_5f:Bi-Li-O-P, expected LiBi(P5O23)2 to be LiBi(PO3)4" +mp-759871,LiBi(PO3)4,-7.3184147653,-2.4982544009,0.0709286428,0.053272434,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_3f:Bi-Li-O-P, expected LiBi(PO7)6 to be LiBi(PO3)4" +mp-504354,LiBi(PO3)4,-7.3893434081,-2.5691830437,0.0,-0.0176562088,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_5f:Bi-Li-O-P, expected LiBi(P5O21)2 to be LiBi(PO3)4" +mp-758966,LiBi(PO3)4,-7.33286362,-2.5127032556,0.0564797881,0.0388235793,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Bi-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_23f_5f:Bi-Li-O-P, expected LiBi(P5O23)2 to be LiBi(PO3)4" +mp-684093,LiBi(PO3)4,-7.3438318351,-2.5236714708,0.0455115729,0.0278553641,GGA,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_47c_2a2b9c:Bi-Li-O-P, expected LiBiP11O47 to be LiBi(PO3)4" +mp-759360,LiBi(PO3)4,-7.2970764646,-2.4769161002,0.0922669435,0.0746107347,GGA,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_21d_5d:Bi-Li-O-P, expected LiBi(P5O21)2 to be LiBi(PO3)4" +mp-684506,LiBi(PO3)4,-7.3572903589,-2.5371299945,0.0320530492,0.0143968404,GGA,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Bi-Li-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oP72_60_c_c_43d_9d:Bi-Li-O-P, expected LiBi(P9O43)2 to be LiBi(PO3)4" +mp-759329,LiBi3(P3O10)2,-7.2653405528,-2.4372079021,0.072860575,0.072860575,GGA,C222_1,A3BC20D6_oC120_20_a2b_a_10c_3c:Bi-Li-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_20_2a2b_a_19c_5c:Bi-Li-O-P, expected LiBi4(P5O19)2 to be LiBi3(P3O10)2" +mp-759396,LiBi3(P3O10)2,-7.2732763807,-2.4451437299,0.0649247472,0.0649247472,GGA,Aea2,A3BC20D6_oC120_41_ab_a_10b_3b:Bi-Li-O-P,60.0,"Invalid WP multiplicities - A3BC20D6_oC120_41_2ab_a_15b_5b:Bi-Li-O-P, expected LiBi4(PO3)10 to be LiBi3(P3O10)2" +mp-729481,LiBi2(PO4)3,-1.3139321442,3.4188496993,5.78420436,5.78420436,GGA,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Bi-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_5i:Bi-Li-O-P, expected LiBi3P5O23 to be LiBi2(PO4)3" +mp-504151,LiBi2(PO4)3,-7.0389815967,-2.3061997532,0.0591549075,0.0591549075,GGA,P-1,A2BC12D3_aP36_2_2i_i_12i_3i:Bi-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_aP36_2_3i_i_23i_5i:Bi-Li-O-P, expected LiBi3P5O23 to be LiBi2(PO4)3" +mp-26285,LiBi2(PO4)3,-7.0294368319,-2.2966549885,0.0686996722,0.0686996722,GGA,P2_1,A2BC12D3_mP72_4_4a_2a_24a_6a:Bi-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_4_6a_2a_47a_11a:Bi-Li-O-P, expected Li2Bi6P11O47 to be LiBi2(PO4)3" +mp-26301,LiBi2(PO4)3,-7.0226414054,-2.289859562,0.0754950988,0.0754950988,GGA,Pc,A2BC12D3_mP72_7_4a_2a_24a_6a:Bi-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_7_8a_4a_47a_11a:Bi-Li-O-P, expected Li4Bi8P11O47 to be LiBi2(PO4)3" +mp-585241,LiBi2(PO4)3,-7.0379622318,-2.3051803884,0.0601742724,0.0601742724,GGA,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Bi-Li-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_4e_e_46e_11e:Bi-Li-O-P, expected LiBi4P11O46 to be LiBi2(PO4)3" +mp-540013,LiBi2(PO4)3,-6.9928463408,-2.2600644974,0.1052901634,0.1052901634,GGA,C2/c,A2BC12D3_mC72_15_f_e_6f_ef:Bi-Li-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_mC72_15_f_e_20f_2e3f:Bi-Li-O-P, expected LiBi2(PO5)8 to be LiBi2(PO4)3" +mp-1521863,BaSrCeVO6,-8.0449232155,-3.2143636269,0.0545330745,0.0545330745,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ce-O-Sr-V,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ce-O-Sr-V, expected BaSrCeVO12 to be BaSrCeVO6" +mp-1521732,BaSrCeVO6,-7.986364358,-3.1558047694,0.113091932,0.113091932,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ce-O-Sr-V +mp-1218325,SrCeVO4,-8.2433205886,-3.0300000852,0.1715667227,0.1715667227,GGA+U,I4mm,AB4CD_tI14_107_a_2ab_a_a:Ce-O-Sr-V,7.0,AB4CD_tI14_107_a_2ab_a_a:Ce-O-Sr-V +mp-1520912,Sr2CeVO6,-7.953304777,-3.1456933371,0.13109942,0.13109942,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Ce-O-Sr-V +mp-1218593,SrCe3V4O16,-8.7289304767,-3.1051219526,0.0,-0.0058919194,GGA+U,P-4m2,A3B16CD4_tP24_115_ag_2j2k_c_bdg:Ce-O-Sr-V,24.0,"Invalid WP multiplicities - A3B16CD4_tP24_115_ag_8j8k_c_bdg:Ce-O-Sr-V, expected SrCe3V4O64 to be SrCe3V4O16" +mp-1517324,Ba2CeVO6,-8.02569922,-3.1721914828,0.0778239446,0.0778239446,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Ce-O-V +mp-759296,Li4Fe3Cu3(WO8)2,-7.1563901411,-1.784723893,0.0585163896,0.0585163896,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-W,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-W, expected Li4Fe3Cu3(WO10)2 to be Li4Fe3Cu3(WO8)2" +mp-2218111,MgTi(WO4)2,-8.7784024783,-2.5296072936,0.1394985317,0.1394985317,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-Ti-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-Ti-W +mp-2218124,MgTi(WO4)2,-8.7736650775,-2.5248698928,0.1442359325,0.1442359325,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-Ti-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-Ti-W +mp-2218018,MgTiZn2WO6,-7.1212095145,-2.1527075342,0.308301847,0.308301847,GGA+U,P1,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn,11.0,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn +mp-2217865,MgTiZn2WO6,-7.1375554964,-2.169053516,0.2919558652,0.2919558652,GGA+U,P1,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn,11.0,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn +mp-2227315,MgTiZn2WO6,-7.1268953082,-2.1583933278,0.3026160534,0.3026160534,GGA+U,P1,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn,11.0,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn +mp-2217561,MgTiZn2WO6,-7.1267981445,-2.1582961642,0.302713217,0.302713217,GGA+U,R3,AB6CDE2_hR33_146_a_2b_a_a_2a:Mg-O-Ti-W-Zn,11.0,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-Ti-W-Zn +mp-1328974,Mg2TiWO6,-8.191059725,-2.8176282636,0.0987996421,0.0987996421,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-Ti-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-Ti-W +mp-1047190,Mg2TiWO6,-8.164933105,-2.7915016436,0.1249262621,0.1249262621,GGA+U,R3,A2B6CD_hR30_146_2a_2b_a_a:Mg-O-Ti-W,10.0,"Invalid WP multiplicities - A2B6CD_hR30_146_2a_3b_a_a:Mg-O-Ti-W, expected Mg2TiWO9 to be Mg2TiWO6" +mp-961656,VFeTe,-7.1173848133,-0.2183070889,0.1676090417,0.1676090417,GGA,F-43m,ABC_cF12_216_c_a_b:Fe-Te-V,3.0,ABC_cF12_216_c_a_b:Fe-Te-V +mp-774673,V3Fe3(TeO8)2,-7.5757745588,-1.8217990168,0.1264343427,0.1264343427,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Fe-O-Te-V,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Fe-O-Te-V +mp-1216743,V2FeTe4,-6.0277879343,-0.4262083738,0.1013117457,0.1013117457,GGA,Cm,AB4C2_mC14_8_a_4a_2a:Fe-Te-V,7.0,AB4C2_mC14_8_a_4a_2a:Fe-Te-V +mp-1025378,V2FeTe4,-6.0483049657,-0.4467254052,0.0807947143,0.0807947143,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Fe-Te-V,7.0,AB4C2_mC14_12_a_2i_i:Fe-Te-V +mp-761819,Li4VFe(TeO6)2,-6.4813477715,-1.9395230181,0.0604711162,0.0604711162,GGA+U,P1,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Fe-Li-O-Te-V,20.0,AB4C12D2E_aP20_1_a_4a_12a_2a_a:Fe-Li-O-Te-V +mp-767773,Li4V3Fe3(TeO8)2,-7.2413692925,-2.0366869899,0.0534211113,0.0534211113,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Te-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Te-V +mp-772999,Na2SiBiBO7,-6.7148599333,-2.2801040586,0.0850110775,0.0850110775,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Bi-Na-O-Si,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Bi-Na-O-Si, expected Na2SiBiBO13 to be Na2SiBiBO7" +mp-772711,Na3SiBiBO7,-6.5689714896,-2.3736179673,0.0268386107,0.0268386107,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Bi-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Bi-Na-O-Si, expected Na4SiBiBO13 to be Na3SiBiBO7" +mp-775830,Na3Bi(BO3)2,-6.5410434154,-2.3037950138,0.0161383783,0.0161383783,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Bi-Na-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_3e_e_9e_19e:B-Bi-Na-O, expected Na9BiB3O19 to be Na3Bi(BO3)2" +mp-1199218,Li3As7(H3N)13,-4.9285993985,-0.4280937983,0.0,-0.026525286,GGA,Pna2_1,A7B39C3D13_oP248_33_7a_39a_3a_13a:As-H-Li-N,248.0,A7B39C3D13_oP248_33_7a_39a_3a_13a:As-H-Li-N +mp-866667,Li3AsH36(SeN3)4,-4.9177950041,-0.515194832,0.0,-0.0205367219,GGA,I-43m,AB36C3D12E4_cI112_217_a_gh_b_g_c:As-H-Li-N-Se,56.0,AB36C3D12E4_cI112_217_a_gh_b_g_c:As-H-Li-N-Se +mp-1078724,LiAsSe2,-4.1796522513,-0.7896861945,0.0,-0.0071223044,GGA,Cc,ABC2_mC16_9_a_a_2a:As-Li-Se,8.0,ABC2_mC16_9_a_a_2a:As-Li-Se +mp-1079276,LiAsSe2,-4.1646232313,-0.7746571745,0.01502902,0.0079067156,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:As-Li-Se,8.0,ABC2_mP8_11_e_e_2e:As-Li-Se +mp-1222395,LiAsSe2,-4.087298125,-0.6973320683,0.0923541263,0.0852318219,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:As-Li-Se,4.0,ABC2_tP4_123_a_d_bc:As-Li-Se +mp-1246383,Zn4RuN4,-5.1013342939,0.1941497817,0.2763498331,0.2763498331,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-Ru-Zn,18.0,A4BC4_aP18_2_4i_i_4i:N-Ru-Zn +mp-1080475,Zn(BrN)2,-2.7672312,1.440526824,2.2346897096,2.2346897096,GGA,Imma,A2B2C_oI20_74_h_i_e:Br-N-Zn,10.0,A2B2C_oI20_74_h_i_e:Br-N-Zn +mp-707342,ZnH18Ru2Br7N6,-4.8327534491,-0.6631127032,0.0326518938,0.0326518938,GGA,P2_1/m,A7B18C6D2E_mP68_11_3e2f_2e8f_2e2f_2e_e:Br-H-N-Ru-Zn,68.0,A7B18C6D2E_mP68_11_3e2f_2e8f_2e2f_2e_e:Br-H-N-Ru-Zn +mp-1105648,Zn2BrN,-3.7256725156,-0.6234198969,0.0,-0.1071034934,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Br-N-Zn,16.0,ABC2_oP16_33_a_a_2a:Br-N-Zn +mp-1245860,Zn2RuN3,-6.0554074092,0.0784883467,0.1458304944,0.1458304944,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-Ru-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-Ru-Zn +mp-1246542,ZnRuN2,-6.6643369238,0.1374470762,0.1879536871,0.1879536871,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-Ru-Zn,16.0,A2BC_oP16_33_2a_a_a:N-Ru-Zn +mp-1207549,ZnRu2Br7N6,-4.5645988347,0.4790709497,1.0548461629,1.0548461629,GGA,P2_1/m,A7B6C2D_mP32_11_3e2f_2e2f_2e_e:Br-N-Ru-Zn,32.0,A7B6C2D_mP32_11_3e2f_2e2f_2e_e:Br-N-Ru-Zn +mp-1521990,KSmHfZrO6,-8.829040926,-3.4276402251,0.1939497737,0.1939497737,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Sm-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Sm-Zr +mp-2230745,K4MgRu2(Cl5O)2,-4.4003966495,-1.6125321789,0.2308377311,0.2308377311,GGA,Cm,A10B4CD2E2_mC38_8_6a2b_2b_a_2a_2a:Cl-K-Mg-O-Ru,19.0,A10B4CD2E2_tI38_107_2a2c_2b_a_2a_2a:Cl-K-Mg-O-Ru +mp-1195869,K2RuCl5O,-4.4516129953,-1.5977716125,0.033499423,0.033499423,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-O-Ru,36.0,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-O-Ru +mp-1105999,K2RuCl5O,-4.3363525239000005,-1.4825111411,0.1487598944,0.1487598944,GGA,I4/mmm,A5B2CD_tI36_139_em_cd_ab_e:Cl-K-O-Ru,18.0,A5B2CD_tI36_139_em_cd_ab_e:Cl-K-O-Ru +mp-560515,K4Ru2Cl10O,-4.4316708159,-1.7009380995,0.0,-0.0319937084,GGA,I4/mmm,A10B4CD2_tI34_139_em_cd_a_e:Cl-K-O-Ru,17.0,"Invalid WP multiplicities - A10B4CD2_tI34_139_2e3m_2cd_a_e:Cl-K-O-Ru, expected K6Ru2Cl28O to be K4Ru2Cl10O" +mp-23471,K2RuCl6,-4.1146260456,-1.6050237796,0.0,-0.1546414917,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Ru,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Ru +mp-1519655,KLaTbSbO6,-7.329475046,-2.8804844801,0.117012687,0.117012687,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Tb,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Tb +mp-5841,RbCuC2,-5.6011184025,0.2831495294,0.3060577895,0.3060577895,GGA,P4/mmm,A2BC_tP4_123_g_a_d:C-Cu-Rb,4.0,A2BC_tP4_123_g_a_d:C-Cu-Rb +mp-5425,RbCuC2,-5.6081552962,0.2761126356,0.2990208958,0.2990208958,GGA,P4_2/mmc,A2BC_tP8_131_j_a_f:C-Cu-Rb,8.0,A2BC_tP8_131_j_a_f:C-Cu-Rb +mp-1192412,RbCuAg2(CN)4,-6.6786361271,0.0718217412,0.262710172,0.262710172,GGA,P2/c,A2B4CD4E_mP24_13_ae_2g_f_2g_f:Ag-C-Cu-N-Rb,24.0,A2B4CD4E_mP24_13_ae_2g_f_2g_f:Ag-C-Cu-N-Rb +mp-1518234,KEuHfZrO6,-9.288853838,-3.3336115706,0.1148321344,0.1148321344,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Zr,10.0,ABCD6E_cF40_216_c_a_d_f_b:Eu-Hf-K-O-Zr +mp-1518247,NaCaYSeO6,-6.678246973,-2.3811829698,0.1913666841,0.1913666841,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Se-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Se-Y +mp-1247563,Na3CoN2,-4.6275146658,-0.0027007449,0.1624462341,0.1624462341,GGA,I4_1/amd,AB2C3_tI48_141_e_h_eg:Co-N-Na,24.0,AB2C3_tI48_141_e_h_eg:Co-N-Na +mp-1246407,Na3CoN2,-4.3723957202,0.2524182007,0.4175651797,0.4175651797,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Co-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Co-N-Na +mp-6896,Rb2NaCo(CN)6,-7.5244927234,-0.2880631148,0.0652096557,0.0652096557,GGA,P2_1/c,A6BC6DE2_mP32_14_3e_a_3e_d_e:C-Co-N-Na-Rb,32.0,A6BC6DE2_mP32_14_3e_a_3e_b_e:C-Co-N-Na-Rb +mp-1029528,NaCoN,-5.3886483875,0.2004642836,0.3656112627,0.3656112627,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Co-N-Na,12.0,ABC_mC24_12_2i_2i_2i:Co-N-Na +mp-556009,MgTlAs(H6O5)2,-5.456635743,-1.5045700928,0.0,-0.0027442712,GGA,Pmn2_1,AB12CD10E_oP50_31_a_2a5b_a_4a3b_a:As-H-Mg-O-Tl,50.0,"Invalid WP multiplicities - AB12CD10E_oP50_31_a_4a17b_a_8a11b_a:As-H-Mg-O-Tl, expected MgTlAs(H19O15)2 to be MgTlAs(H6O5)2" +mp-1522695,KCaTbNbO6,-7.687538148,-2.9343579246,0.1673201639,0.1673201639,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-Tb,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-Tb +mp-572921,Cs2Ga3As5O18,-6.3395758554,-1.9391800825,0.0,-0.0142851427,GGA,C2/c,A5B2C3D18_mC112_15_e2f_f_af_9f:As-Cs-Ga-O,56.0,"Invalid WP multiplicities - A5B2C3D18_mC112_15_2e6f_f_2c2f_32f:As-Cs-Ga-O, expected CsGa3As7O32 to be Cs2Ga3As5O18" +mp-541678,Cs3GaAs2,-2.9679421475,-0.4625188227,0.0,-0.1633815937,GGA,P2_1/c,A2B3C_mP48_14_4e_6e_2e:As-Cs-Ga,48.0,A2B3C_mP48_14_4e_6e_2e:As-Cs-Ga +mp-1226119,CsGaAs3H5O12,-5.9558769332,-1.6729338255,0.0023469579,0.0023469579,GGA,Cc,A3BCD5E12_mC88_9_3a_a_a_5a_12a:As-Cs-Ga-H-O,44.0,"Invalid WP multiplicities - A3BCD5E12_mC88_9_4a_a_a_7a_18a:As-Cs-Ga-H-O, expected CsGaAs4H7O18 to be CsGaAs3H5O12" +mp-1195440,GaAs(H2O3)2,-5.8335534346,-1.588699195,0.0233196761,0.0233196761,GGA,Pbca,ABC4D6_oP96_61_c_c_4c_6c:As-Ga-H-O,96.0,ABC4D6_oP96_61_c_c_4c_6c:As-Ga-H-O +mp-1195891,GaAs(H2O3)2,-5.8127930467,-1.5679388071,0.044080064,0.044080064,GGA,Pbca,ABC4D6_oP96_61_c_c_4c_6c:As-Ga-H-O,96.0,ABC4D6_oP96_61_c_c_4c_6c:As-Ga-H-O +mp-740711,Cs3B6H12Se4Br,-4.4163602788,-0.6082085665,0.0,-0.0464513189,GGA,P6_3mc,A6BC3D12E4_hP52_186_2c_a_c_2cd_bc:B-Br-Cs-H-Se,52.0,A6BC3D12E4_hP52_186_2c_a_c_2cd_bc:B-Br-Cs-H-Se +mp-542819,Cs3B12H12Br,-4.9777593111,-0.5097361241,0.0773915407,0.0773915407,GGA,R-3m,A12BC3D12_hR84_166_2h_a_d_2h:B-Br-Cs-H,28.0,A12BC3D12_hR84_166_2h_a_d_2h:B-Br-Cs-H +mp-1200930,Cd3Pb2Se4(IO6)2,-5.1242696172,-1.3640693317,0.0025804315,0.0025804315,GGA,P2/c,A3B2C12D2E4_mP46_13_eg_g_6g_g_2g:Cd-I-O-Pb-Se,46.0,A3B2C12D2E4_mP46_13_eg_g_6g_g_2g:Cd-I-O-Pb-Se +mp-1193210,Pb3Se2(IO3)2,-5.2495157781,-1.3451596909,0.0,-0.0044262152,GGA,C2/c,A2B6C3D2_mC52_15_f_3f_ef_f:I-O-Pb-Se,26.0,A2B6C3D2_mC52_15_f_3f_ef_f:I-O-Pb-Se +mp-1226877,CdPb3Se4,-4.0260221362,-0.7704625262,0.0409211625,0.0409211625,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:Cd-Pb-Se,8.0,"Invalid WP multiplicities - AB3C4_hR24_166_a_b2c_3c:Cd-Pb-Se, expected CdPb5Se6 to be CdPb3Se4" +mp-1045989,Sr2YTlCr2O7,-7.6920830685,-2.6043125234,0.1647244032,0.1647244032,GGA+U,P4/mmm,A2B7C2DE_tP13_123_h_ahi_g_c_b:Cr-O-Sr-Tl-Y,13.0,A2B7C2DE_tP13_123_h_ahi_g_c_b:Cr-O-Sr-Tl-Y +mp-1096527,LaYCu2,-2.734100875,2.1661220146,2.3796131725,2.3796131725,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-La-Y,4.0,A2BC_oI8_71_e_a_b:Cu-La-Y +mp-1228381,Ba3LaY2(Cu3O7)2,-6.7974375908,-2.2791777396,0.0436804632,0.0436804632,GGA,Fmm2,A3B6CD14E2_oF104_42_3a_3b_a_2b2c3d_2a:Ba-Cu-La-O-Y,26.0,A3B6CD14E2_oF104_42_3a_3b_a_2b2c3d_2a:Ba-Cu-La-O-Y +mp-1306433,Ba2YTlCo2O7,-6.9591982823,-2.2276197663,0.0902588612,0.0902588612,GGA+U,P1,A2B2C7DE_aP26_1_4a_4a_14a_2a_2a:Ba-Co-O-Tl-Y,26.0,A2B2C7DE_aP26_1_4a_4a_14a_2a_2a:Ba-Co-O-Tl-Y +mp-1303920,Ba2YTlCo2O7,-6.9796726496,-2.2480941336,0.0697844939,0.0697844939,GGA+U,Pm,A2B2C7DE_mP26_6_2c_2c_ab6c_ab_c:Ba-Co-O-Tl-Y,26.0,"Invalid WP multiplicities - A2B2C7DE_mP26_6_3c_3c_ab10c_ab_c:Ba-Co-O-Tl-Y, expected Ba3YTlCo3O11 to be Ba2YTlCo2O7" +mp-1273551,Ba2YTlCo2O7,-6.9837354092,-2.2521568932,0.0657217342,0.0657217342,GGA+U,Pmm2,A2B2C7DE_oP13_25_e_f_ae2f_b_c:Ba-Co-O-Tl-Y,26.0,"Invalid WP multiplicities - A2B2C7DE_oP13_25_e_f_ae3f_b_c:Ba-Co-O-Tl-Y, expected Ba2YTlCo2O9 to be Ba2YTlCo2O7" +mp-1298647,Ba2YTlCo2O7,-6.9927477804,-2.2611692643,0.0567093631,0.0567093631,GGA+U,Pmc2_1,A2B2C7DE_oP26_26_c_c_a3c_a_b:Ba-Co-O-Tl-Y,26.0,"Invalid WP multiplicities - A2B2C7DE_oP26_26_c_c_a9c_a_b:Ba-Co-O-Tl-Y, expected Ba2YTlCo2O19 to be Ba2YTlCo2O7" +mp-1311233,Ba2YTlCo2O7,-6.9923235465,-2.2607450305,0.0571335969,0.0571335969,GGA+U,Ima2,A2B2C7DE_oI52_46_c_c_b3c_b_a:Ba-Co-O-Tl-Y,26.0,"Invalid WP multiplicities - A2B2C7DE_oI52_46_c_c_b8c_b_a:Ba-Co-O-Tl-Y, expected Ba2YTlCo2O17 to be Ba2YTlCo2O7" +mp-1046353,Ba2YTlCo2O7,-6.96457341,-2.2329948939,0.0848837335,0.0848837335,GGA+U,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Co-O-Tl-Y,13.0,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Co-O-Tl-Y +mp-1225785,Dy2Fe17CN,-8.2629146019,-0.1310529511,0.0836556741,0.0836556741,GGA,P-1,AB2C17D_aP21_2_e_i_bch7i_a:C-Dy-Fe-N,21.0,"Invalid WP multiplicities - AB2C17D_aP21_2_e_i_bch13i_a:C-Dy-Fe-N, expected Dy2Fe29CN to be Dy2Fe17CN" +mp-1225909,Dy2Fe15Co2C,-8.017826775,-0.0323671294,0.0448694621,0.0448694621,GGA,C2/m,AB2C2D15_mC40_12_a_i_i_degi2j:C-Co-Dy-Fe,20.0,"Invalid WP multiplicities - AB2C2D15_mC40_12_a_i_i_df2g2i3j:C-Co-Dy-Fe, expected Dy2Fe23Co2C to be Dy2Fe15Co2C" +mp-1225268,DyCoC,-7.2365437933,-0.2552870842,0.059791755,0.0402225324,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Dy,3.0,ABC_tP3_123_a_b_c:C-Co-Dy +mp-20350,DyCoC,-7.2963355483,-0.3150788392,0.0,-0.0195692226,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Dy,6.0,ABC_tP6_131_c_a_f:C-Co-Dy +mp-1225868,Dy2Fe15Co2CN,-8.1291478543,-0.126972243,0.1081137305,0.1081137305,GGA,P-1,AB2C2D15E_aP21_2_e_i_i_bch6i_a:C-Co-Dy-Fe-N,21.0,"Invalid WP multiplicities - AB2C2D15E_aP21_2_e_i_i_bch12i_a:C-Co-Dy-Fe-N, expected Dy2Fe27Co2CN to be Dy2Fe15Co2CN" +mp-22015,FeCo2(CN)6,-8.1072370013,0.4312709523,0.4929245947,0.4929245947,GGA,F-43m,A6B2CD6_cF60_216_f_ac_b_f:C-Co-Fe-N,15.0,A6B2CD6_cF60_216_f_ac_b_f:C-Co-Fe-N +mp-3847,DyCoC2,-7.8889868125,-0.3458779075,0.0,-0.1095687781,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Dy,4.0,A2BC_oC8_38_d_a_b:C-Co-Dy +mp-1199870,Ca2Y3Si3O13,-8.4976816112,-3.5456092095,0.022305106,0.022305106,GGA,P2_1/m,A2B13C3D3_mP42_11_f_7e3f_3e_3e:Ca-O-Si-Y,42.0,"Invalid WP multiplicities - A2B13C3D3_hP42_176_f_a5hi_h_h:Ca-O-Si-Y, expected Ca2Y3Si3O22 to be Ca2Y3Si3O13" +mp-732235,Ca2Y3Si3O13,-8.4976947136,-3.5456223118,0.0222920036,0.0222920036,GGA,P6_3,A2B13C3D3_hP42_173_2b_a4c_c_c:Ca-O-Si-Y,42.0,"Invalid WP multiplicities - A2B13C3D3_hP42_176_f_a5hi_h_h:Ca-O-Si-Y, expected Ca2Y3Si3O22 to be Ca2Y3Si3O13" +mp-1323665,Ca2Y3Si3O13,-8.4941268688,-3.5420544671,0.0258598484,0.0258598484,GGA,P6_3/m,A2B13C3D3_hP42_176_f_a2hi_h_h:Ca-O-Si-Y,42.0,"Invalid WP multiplicities - A2B13C3D3_hP42_176_f_a5hi_h_h:Ca-O-Si-Y, expected Ca2Y3Si3O22 to be Ca2Y3Si3O13" +mp-1214208,Ca3Y2(SiO4)3,-8.3001079274,-3.5708099028,0.0255135295,0.0255135295,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Ca-O-Si-Y +mp-1213949,CaYSiO5,-8.1011242016,-3.2722701291,0.1453850004,0.1453850004,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Ca-O-Si-Y,32.0,AB5CD_mP32_14_e_5e_e_e:Ca-O-Si-Y +mp-1213910,CaYSiO5,-8.1007921031,-3.2719380307,0.1457170988,0.1457170988,GGA,C2/c,AB5CD_mC32_15_e_e2f_e_a:Ca-O-Si-Y,16.0,AB5CD_mC32_15_e_e2f_e_c:Ca-O-Si-Y +mp-1224225,K3TaNbCu3S8,-5.6323136031,-1.2148449496,6.31316e-05,6.31316e-05,GGA,C2,A3B3CD8E_mC64_5_ab2c_3c_c_8c_c:Cu-K-Nb-S-Ta,32.0,A3B3CD8E_mC64_5_ab2c_3c_c_8c_c:Cu-K-Nb-S-Ta +mp-1217925,TaNb(Cu3S4)2,-5.83694061,-0.8590705084,0.0,-0.0001340431,GGA,P-4m2,A6BC8D_tP16_115_cdh_a_jk_b:Cu-Nb-S-Ta,16.0,"Invalid WP multiplicities - A6BC8D_tP16_115_cdh_a_3j4k_b:Cu-Nb-S-Ta, expected TaNb(Cu3S14)2 to be TaNb(Cu3S4)2" +mp-1197797,K3Ta2Cu3S8,-5.7561558597,-1.2289076693,0.0,-0.0327993433,GGA,C2/c,A3B3C8D2_mC64_15_ef_af_4f_f:Cu-K-S-Ta,32.0,A3B3C8D2_mC64_15_ef_af_4f_f:Cu-K-S-Ta +mp-1190474,Tb2CuTe2(SO7)2,-6.9129422829,-2.2852712187,0.0044855797,0.0044855797,GGA,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Tb-Te,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Tb-Te +mp-542912,FeH12Pt(ClO)6,-4.9255108437,-1.2322331784,0.0,-0.0338265557,GGA+U,R-3,A6BC12D6E_hR78_148_f_a_2f_f_b:Cl-Fe-H-O-Pt,52.0,A6BC12D6E_hR78_148_f_a_2f_f_b:Cl-Fe-H-O-Pt +mp-1518378,NaSrBiWO6,-7.193177744,-2.2441007066,0.113378849,0.113378849,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Na-O-Sr-W +mp-1518423,BaCaSnWO6,-7.6363510285,-2.5791101113,0.0947842314,0.0947842314,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Ca-O-Sn-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Ca-O-Sn-W, expected BaCaSnWO12 to be BaCaSnWO6" +mp-1518393,BaCaSnWO6,-7.6316907075,-2.5744497903,0.0994445524,0.0994445524,GGA+U,P222,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Ca-O-Sn-W,40.0,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Ca-O-Sn-W +mp-1518342,BaCaSnWO6,-7.592014503,-2.5347735858,0.1391207569,0.1391207569,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ca-O-Sn-W +mp-19469,Na5Tb(MoO4)4,-7.48248601,-2.3372316874,0.0,-0.0170902849,GGA+U,I4_1/a,A4B5C16D_tI104_88_f_af_4f_b:Mo-Na-O-Tb,52.0,"Invalid WP multiplicities - A4B5C16D_tI104_88_f_af_5f_b:Mo-Na-O-Tb, expected Na5Tb(MoO5)4 to be Na5Tb(MoO4)4" +mp-1211011,Na3Tb(PO4)2,-7.1669977872,-2.952565167,0.0,-0.0081848919,GGA,Pca2_1,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Tb,112.0,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Tb +mp-559111,Na2TbMoPO8,-7.6276576848,-2.7728977622,0.0043187502,0.0043187502,GGA+U,Ibca,AB2C8DE_oI104_73_d_f_4f_c_c:Mo-Na-O-P-Tb,52.0,"Invalid WP multiplicities - AB2C8DE_oI104_73_d_f_22f_c_c:Mo-Na-O-P-Tb, expected Na2TbMoPO44 to be Na2TbMoPO8" +mp-1200709,NaTb(PO3)4,-7.7401692293,-2.9084822318,0.0024536581,0.0024536581,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Na-O-P-Tb,72.0,AB12C4D_mP72_14_e_12e_4e_e:Na-O-P-Tb +mp-2647039,KLaTaAlO6,-8.486171789,-3.3531826110000003,0.047483446,0.047483446,GGA,P4mm,ABCD6E_tP10_99_a_b_b_2a2c_a:Al-K-La-O-Ta,10.0,"Invalid WP multiplicities - ABCD6E_tP10_99_a_b_b_2a3c_a:Al-K-La-O-Ta, expected KLaTaAlO8 to be KLaTaAlO6" +mp-1046375,SrMgCo(PO4)2,-7.5195183954,-2.8427333183,0.0239589236,0.0239589236,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Co-Mg-O-P-Sr,52.0,ABC8D2E_aP26_2_i_i_8i_2i_i:Co-Mg-O-P-Sr +mp-1333085,SrMgCo(PO4)2,-4.0325183404,0.6442667367,3.5109589786,3.5109589786,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Co-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Co-Mg-O-P-Sr, expected SrMgCo(PO7)2 to be SrMgCo(PO4)2" +mp-2223641,CsMgV2O5,-7.3665825322,-2.3224782969,0.2057866751,0.2057866751,GGA+U,P1,ABC5D2_aP9_1_a_a_5a_2a:Cs-Mg-O-V,9.0,ABC5D2_aP9_1_a_a_5a_2a:Cs-Mg-O-V +mp-1034637,CsNaMg14O15,-5.8339632974,-2.6461510705,0.2394989039,0.2394989039,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Cs-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Cs-Mg-Na-O +mp-1034881,CsNaMg14O15,-5.846352431,-2.6585402041,0.2271097703,0.2271097703,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Cs-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Cs-Mg-Na-O +mp-1034901,CsNaMg14O15,-5.8045848239,-2.616772597,0.2688773774,0.2688773774,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Cs-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Cs-Mg-Na-O +mp-1039864,CsNaMg30O31,-6.047933733,-2.8166054915,0.1545760765,0.1545760765,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:Cs-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2ab2c2d2e2f4g4h2i:Cs-Mg-Na-O, expected CsNaMg38O39 to be CsNaMg30O31" +mp-1028326,CsMg14V,-1.7580854544000002,0.265866367,0.2821430878,0.2821430878,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-V, expected CsMg18V to be CsMg14V" +mp-1028312,CsMg14V,-1.7621145225,0.2618372989,0.2781140196,0.2781140196,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-V, expected CsMg26V to be CsMg14V" +mp-19447,Cs2NaVO4,-6.293997295,-2.2959984259,0.0,-0.2257432431,GGA+U,P2_1/m,A2BC4D_mP16_11_2e_e_2ef_e:Cs-Na-O-V,16.0,"Invalid WP multiplicities - A2BC4D_mP16_11_2e_e_4ef_e:Cs-Na-O-V, expected Cs2NaVO6 to be Cs2NaVO4" +mp-2229150,Cs4Na2MgV2O8,-5.9494576159,-2.0925010303,0.1635354244,0.1635354244,GGA+U,P1,A4BC2D8E2_aP17_1_4a_a_2a_8a_2a:Cs-Mg-Na-O-V,17.0,A4BC2D8E2_aP17_1_4a_a_2a_8a_2a:Cs-Mg-Na-O-V +mp-2233145,Cs4Na2MgV2O8,-5.9908235459,-2.1338669603,0.1221694944,0.1221694944,GGA+U,P-1,A4BC2D8E2_aP17_2_2i_a_i_4i_i:Cs-Mg-Na-O-V,17.0,"Invalid WP multiplicities - A4BC2D8E2_aP17_2_2i_a_i_8i_i:Cs-Mg-Na-O-V, expected Cs4Na2MgV2O16 to be Cs4Na2MgV2O8" +mp-1031596,CsNaMg6O7,-5.167984008,-2.0715554117,0.6344782160000001,0.6344782160000001,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_a2b2c:Cs-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_a2b4c:Cs-Mg-Na-O, expected CsNaMg10O11 to be CsNaMg6O7" +mp-1030787,CsNaMg6O7,-5.2682036733,-2.171775077,0.5342585507000001,0.5342585507000001,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_a2b2c:Cs-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_a2b4c:Cs-Mg-Na-O, expected CsNaMg10O11 to be CsNaMg6O7" +mp-1098107,CsNaMg6O7,-5.357079886,-2.2606512897,0.445382338,0.445382338,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_2ab2c:Cs-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_2ab4c:Cs-Mg-Na-O, expected CsNaMg10O11 to be CsNaMg6O7" +mp-1022046,CsMg6V,-1.9388860119,0.5087375809,0.5226890558,0.5226890558,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cs-Mg-V, expected CsMg12V to be CsMg6V" +mp-1098079,CsMg6V,-1.9633985262,0.4842250665,0.4981765414,0.4981765414,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-V,8.0,AB6C_oC16_38_a_2bde_a:Cs-Mg-V +mp-1021321,Mg6TiSb,-2.7204687469,-0.0171970523,0.167332379,0.167332379,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-Ti, expected Mg12TiSb to be Mg6TiSb" +mp-1021341,Mg6TiSb,-2.7374471562,-0.0341754617,0.1503539696,0.1503539696,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-Ti, expected Mg12TiSb to be Mg6TiSb" +mp-1043837,MgTiSb(PO4)3,-7.6959292519,-2.7389878430000003,0.0825124426,0.0825124426,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mg-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mg-O-P-Sb-Ti, expected MgTiSb(PO18)3 to be MgTiSb(PO4)3" +mp-1342645,Mg2TiSbO6,-7.194346007,-2.7038274446,0.1705108506,0.1705108506,GGA,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sb-Ti,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Mg-O-Sb-Ti, expected Mg2TiSbO16 to be Mg2TiSbO6" +mp-1026414,Mg14TiSb,-2.1616690569,-0.0098931846,0.0938004379,0.0938004379,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-Ti, expected Mg18TiSb to be Mg14TiSb" +mp-1026390,Mg14TiSb,-2.1520574969,-0.0002816246,0.1034119979,0.1034119979,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-Ti, expected Mg26TiSb to be Mg14TiSb" +mp-24447,FeCoH18(NCl)6,-5.0437236484,-0.738798732,0.0,-0.0053991836,GGA,Pa-3,A6BCD18E6_cP128_205_d_a_b_3d_d:Cl-Co-Fe-H-N,128.0,"Invalid WP multiplicities - A6BCD18E6_cP128_205_d_a_b_6d_d:Cl-Co-Fe-H-N, expected FeCoH36(NCl)6 to be FeCoH18(NCl)6" +mp-1213491,FeHN2Cl5,-3.9566349667,0.2409673006,0.9764616894,0.9764616894,GGA,Pnma,A5BCD2_oP36_62_3cd_c_c_d:Cl-Fe-H-N,36.0,A5BCD2_oP36_62_3cd_c_c_d:Cl-Fe-H-N +mp-1211765,K2SmNb5O15,-8.8030250541,-3.0792754934,0.0290260303,0.0290260303,GGA,P4/mbm,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Sm,46.0,A2B5C15D_tP46_127_g_cj_dhi2j_a:K-Nb-O-Sm +mp-1203769,Cs2(CoN8)3,-7.6222373174,0.0740260043,0.2046572438,0.2046572438,GGA,P2_1/c,A3B2C24_mP58_14_ae_e_12e:Co-Cs-N,58.0,A3B2C24_mP58_14_ae_e_12e:Co-Cs-N +mp-1029491,CsCoN,-5.5339193958,-0.0871810318,0.0986528296,0.0986528296,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Cs-N,12.0,ABC_oP12_62_c_c_c:Co-Cs-N +mp-6884,Cs2LiCo(CN)6,-7.5685031425,-0.3060651481,0.0158105402,0.0158105402,GGA,Fm-3m,A6BC2DE6_cF64_225_e_a_c_b_e:C-Co-Cs-Li-N,16.0,A6BC2DE6_cF64_225_e_a_c_b_e:C-Co-Cs-Li-N +mp-1180076,NiC4NCl3,-5.2954874539,0.9908351633,1.4343259784,1.4343259784,GGA,P6_3,A4B3CD_hP18_173_bc_c_b_a:C-Cl-N-Ni,18.0,A4B3CD_hP18_173_bc_c_b_a:C-Cl-N-Ni +mp-1104285,RbNiC2N2Cl,-6.7353619457,-0.4868579104,0.1658852876,0.1658852876,GGA,I4/mmm,A2BC2DE_tI28_139_h_e_h_ab_d:C-Cl-N-Ni-Rb,14.0,A2BC2DE_tI28_139_h_e_h_ab_d:C-Cl-N-Ni-Rb +mp-1220553,Ni2N11Cl8,-4.5833024833,1.0381266031,1.3343105088,1.3343105088,GGA,Pmmm,A8B11C2_oP21_47_uv_abgijkl_cf:Cl-N-Ni,21.0,"Invalid WP multiplicities - A8B11C2_oP21_47_2u3v_abg2i2jkl_cf:Cl-N-Ni, expected Ni2(N3Cl4)5 to be Ni2N11Cl8" +mp-1084748,Ni(N3Cl)2,-4.1146778056,2.4960088111,2.8415567011,2.8415567011,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cl-N-Ni,9.0,A2B6C_cF36_225_c_e_a:Cl-N-Ni +mp-1205931,NiNCl3,-3.570198598,0.362249719,0.984235921,0.984235921,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-N-Ni,10.0,A3BC_hP10_194_h_c_a:Cl-N-Ni +mp-23486,RbNiCl3,-4.01275916,-1.5515030135,0.0,-0.031567806,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Ni-Rb,10.0,A3BC_hP10_194_h_a_c:Cl-Ni-Rb +mp-680728,K6Fe24S26Cl,-6.3885111153,-0.7860701342,0.0920599869,0.0920599869,GGA,I4/mmm,AB24C6D26_tI114_139_a_mo_ei_egjmn:Cl-Fe-K-S,57.0,"Invalid WP multiplicities - AB24C6D26_tI114_139_a_5m5o_2e3i_2e3g3j7m4n:Cl-Fe-K-S, expected K16Fe120S116Cl to be K6Fe24S26Cl" +mp-532767,K6LiFe24S26Cl,-6.3428603631,-0.8041007288,0.0873123493,0.0873123493,GGA,Pm-3m,AB24C6DE26_cP58_221_a_m_e_b_fgh:Cl-Fe-K-Li-S,58.0,"Invalid WP multiplicities - AB24C6DE26_cP58_221_a_m_e_b_2f2g5h:Cl-Fe-K-Li-S, expected K6LiFe24S88Cl to be K6LiFe24S26Cl" +mp-649334,FeSCl7,-3.7716121406,-0.9331423965,0.0,-0.0609010372,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:Cl-Fe-S,36.0,"Invalid WP multiplicities - A7BC_mP36_14_24e_e_e:Cl-Fe-S, expected FeSCl24 to be FeSCl7" +mp-866711,FeSCl7,-3.7171717914,-0.8787020473,0.0544403492,-0.0064606881,GGA,P2_1/c,A7BC_mP36_14_7e_e_e:Cl-Fe-S,36.0,A7BC_mP36_14_7e_e_e:Cl-Fe-S +mp-601342,Na4TeH10(SeO8)2,-5.0588625189,-1.164937978,0.3290920776,0.3290920776,GGA,P2_1/c,A10B4C16D2E_mP66_14_5e_2e_8e_e_a:H-Na-O-Se-Te,66.0,"Invalid WP multiplicities - A10B4C16D2E_mP66_14_14e_4e_30e_e_a:H-Na-O-Se-Te, expected Na8TeH28(SeO30)2 to be Na4TeH10(SeO8)2" +mp-1180615,Na4TeH10(SeO8)2,-5.2200123332,-1.3260877922,0.1679422633,0.1679422633,GGA,P2_1/c,A10B4C16D2E_mP66_14_5e_2e_8e_e_a:H-Na-O-Se-Te,66.0,"Invalid WP multiplicities - A10B4C16D2E_mP66_14_14e_4e_30e_e_a:H-Na-O-Se-Te, expected Na8TeH28(SeO30)2 to be Na4TeH10(SeO8)2" +mp-1182476,Na4TeH10(SeO8)2,-5.1825315555,-1.2886070145,0.2054230411,0.2054230411,GGA,P2_1/c,A10B4C16D2E_mP66_14_5e_2e_8e_e_a:H-Na-O-Se-Te,66.0,"Invalid WP multiplicities - A10B4C16D2E_mP66_14_14e_4e_30e_e_a:H-Na-O-Se-Te, expected Na8TeH28(SeO30)2 to be Na4TeH10(SeO8)2" +mp-1221139,Na4TeSe,-3.1223405583,-1.1341208009,0.0103064917,0.0103064917,GGA,P4/mmm,A4BC_tP6_123_i_a_d:Na-Se-Te,6.0,A4BC_tP6_123_i_a_d:Na-Se-Te +mp-1190500,Na2TeSe3,-3.5747320388,-0.8620502199000001,0.0034613183,0.0002425938,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:Na-Se-Te,24.0,A2B3C_mP24_14_2e_3e_e:Na-Se-Te +mp-573581,Na2TeSe3,-3.5781933571,-0.8655115382,0.0,-0.0032187246,GGA,C2/c,A2B3C_mC48_15_2f_3f_f:Na-Se-Te,24.0,"Invalid WP multiplicities - A2B3C_mC48_15_6f_10f_f:Na-Se-Te, expected Na6TeSe10 to be Na2TeSe3" +mp-1518912,KLaZrMnO6,-8.257665618,-2.9140401938,0.1624741033,0.1624741033,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mn-O-Zr,,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mn-O-Zr +mp-1236290,Sr2LiCdWO6,-6.7940753291,-2.3532515081,0.1982663807,0.1982663807,GGA+U,Cm,ABC6D2E_mC22_8_a_a_4ab_b_a:Cd-Li-O-Sr-W,11.0,ABC6D2E_mC22_8_a_a_4ab_b_a:Cd-Li-O-Sr-W +mp-1235784,Sr2LiCdWO6,-6.8461366218,-2.4053128008,0.146205088,0.146205088,GGA+U,C2/m,ABC6D2E_mC22_12_b_a_ij_i_c:Cd-Li-O-Sr-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_c_a_4i_i_d:Cd-Li-O-Sr-W, expected Sr2LiCdWO8 to be Sr2LiCdWO6" +mp-1095754,Sr2LiCd,-0.4827194925,1.0699803908,1.2392589341,1.2392589341,GGA,Immm,ABC2_oI8_71_a_b_e:Cd-Li-Sr,4.0,ABC2_oI8_71_a_b_e:Cd-Li-Sr +mp-1187087,Sr2LiCd,-1.7182299125,-0.1655300292,0.0037485141,0.0037485141,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cd-Li-Sr,4.0,ABC2_cF16_225_a_b_c:Cd-Li-Sr +mp-1214153,Ca2P3Pb3ClO12,-7.1205255074,-2.7111040938,0.0,-0.0069356324,GGA,P6_3/m,A2BC12D3E3_hP42_176_f_b_2hi_h_h:Ca-Cl-O-P-Pb,42.0,A2BC12D3E3_hP42_176_f_b_2hi_h_h:Ca-Cl-O-P-Pb +mp-1519531,BaPrEuWO6,-8.9872893665,-3.0277748673,0.0309219544,0.0309219544,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Pr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Pr-W, expected BaPrEuWO12 to be BaPrEuWO6" +mp-1519650,BaPrEuWO6,-8.859146695,-2.8996321958,0.1590646259,0.1590646259,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Pr-W +mp-1519439,Ba2PrWO6,-8.1591186762,-3.033406863,0.0040823551,0.0040823551,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-W,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-Pr-W +mp-1519191,Ba2PrWO6,-8.093933167,-2.9682213538,0.0692678644,0.0692678644,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-W,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Pr-W +mp-695048,GdTi2CdO6F,-8.8465733491,-3.1755181429,0.1392908705,0.1392908705,GGA,Imma,ABCD6E2_oI44_74_a_e_c_2ej_bd:Cd-F-Gd-O-Ti,22.0,"Invalid WP multiplicities - ABCD6E2_oI44_74_a_e_c_4e4j_bd:Cd-F-Gd-O-Ti, expected GdTi2CdO20F to be GdTi2CdO6F" +mp-2240370,Na3MgMo(OF)3,-5.9072070145,-2.5446607349,0.1650094541,0.1650094541,GGA+U,P1,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O,11.0,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O +mp-2240160,Na3MgMo(OF)3,-5.8873231009,-2.5247768212,0.1848933677,0.1848933677,GGA+U,P1,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O,11.0,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O +mp-2240200,Na3MgMo(OF)3,-5.8362587073,-2.4737124276,0.2359577614,0.2359577614,GGA+U,P1,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O,11.0,A3BCD3E3_aP11_1_3a_a_a_3a_3a:F-Mg-Mo-Na-O +mp-2240753,Na3MgMo(OF)3,-5.7839232927,-2.421377013,0.2882931759,0.2882931759,GGA+U,R3,A3BCD3E3_hR33_146_b_a_a_3a_b:F-Mg-Mo-Na-O,11.0,A3BCD3E3_hR33_146_b_a_a_3a_b:F-Mg-Mo-Na-O +mp-1209982,NaMoO3F,-7.1072465467,-2.2872931292,0.0,-0.0044948443,GGA+U,P2_1/m,ABCD3_mP12_11_e_e_e_3e:F-Mo-Na-O,12.0,ABCD3_mP12_11_e_e_e_3e:F-Mo-Na-O +mp-18753,Na3Mo(OF)3,-6.107388878,-2.5686159753,0.0,-0.020834676,GGA+U,R3,A3BC3D3_hR30_146_b_a_3a_b:F-Mo-Na-O,10.0,A3BC3D3_hR30_146_b_a_3a_b:F-Mo-Na-O +mp-1194849,Na3MoO4F,-6.3874874231,-2.3306585561,0.0,-0.0008307303,GGA+U,Pnma,ABC3D4_oP36_62_c_c_cd_2cd:F-Mo-Na-O,36.0,ABC3D4_oP36_62_c_c_cd_2cd:F-Mo-Na-O +mp-1235117,LiP4(Br3O)4,-4.2438686481,-1.2921911387,0.1086099288,0.1086099288,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P +mp-1235127,LiP4(Br3O)4,-4.2481193252,-1.2964418158,0.1043592517,0.1043592517,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P +mp-1235505,LiP4(Br3O)4,-4.2778576786,-1.3261801691,0.0746208984,0.0746208984,GGA,P1,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P,21.0,A12BC4D4_aP21_1_12a_a_4a_4a:Br-Li-O-P +mp-1235216,LiP4(Br3O)4,-4.2751503438,-1.3234728344,0.0773282331,0.0773282331,GGA,Pm,A12BC4D4_mP21_6_2a2b4c_a_2a2b_2a2b:Br-Li-O-P,21.0,"Invalid WP multiplicities - A12BC4D4_mP21_6_2a2b8c_a_2a2b_2a2b:Br-Li-O-P, expected LiP4(Br5O)4 to be LiP4(Br3O)4" +mp-1235357,LiP4(Br3O)4,-4.2781849595,-1.3265074501,0.0742936174,0.0742936174,GGA,Pm,A12BC4D4_mP21_6_2a2b4c_a_2a2b_2a2b:Br-Li-O-P,21.0,"Invalid WP multiplicities - A12BC4D4_mP21_6_2a2b8c_a_2a2b_2a2b:Br-Li-O-P, expected LiP4(Br5O)4 to be LiP4(Br3O)4" +mp-1103940,Li6PBrO5,-5.7799758808,-2.4604903736,0.0,-0.0008870688,GGA,F-43m,AB6C5D_cF52_216_a_g_ce_b:Br-Li-O-P,13.0,AB6C5D_cF52_216_a_g_ce_b:Br-Li-O-P +mp-554560,Li4Be3P3BrO12,-7.0245521972,-2.8503291343,0.0,-0.1000882228,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-Br-Li-O-P,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-Br-Li-O-P +mp-1521656,KCaGdFeO6,-7.726534777,-2.1923073226,0.1837497436,0.1837497436,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Fe-Gd-K-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Fe-Gd-K-O +mp-778593,Li4V2Fe3Co3O16,-7.2337345096,-1.8163937953,0.1290871546,0.1290871546,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Fe-Li-O-V,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Fe-Li-O-V +mp-777330,Li4V2Fe3Co3O16,-7.274491235,-1.8571505207,0.0883304293,0.0883304293,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Fe-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Fe-Li-O-V, expected Li4V2Fe3Co3O20 to be Li4V2Fe3Co3O16" +mp-1519502,KSm(FeO3)4,-6.904832835,-1.4009809207,0.2543436009,0.2543436009,GGA+U,Amm2,A4BC12D_oC36_38_f_a_2cdef_b:Fe-K-O-Sm,18.0,"Invalid WP multiplicities - A4BC12D_oC36_38_f_a_3c2d2ef_b:Fe-K-O-Sm, expected KSm(Fe2O9)2 to be KSm(FeO3)4" +mp-1520168,NaCaTbWO6,-7.889680778,-2.8296054009,0.139451831,0.139451831,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-Tb-W +mp-1519849,KLaZrFeO6,-8.008480624,-2.7340546081,0.1284836673,0.1284836673,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Zr,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Zr +mp-1222496,Mg2TePb4WO12,-6.677122769,-2.0014803171,0.0207609527,0.0207609527,GGA+U,Pmc2_1,A2B12C4DE_oP40_26_ab_4a4b2c_2c_a_b:Mg-O-Pb-Te-W,40.0,"Invalid WP multiplicities - A2B12C4DE_oP40_26_ab_4a4b3c_3c_a_b:Mg-O-Pb-Te-W, expected Mg2TePb6WO14 to be Mg2TePb4WO12" +mp-1222251,Mg3Te2Pb6WO18,-6.465248418,-1.9531863717,0.0274906031,0.0274906031,GGA+U,P-3m1,A3B18C6D2E_hP30_164_ad_3i_c2d_d_b:Mg-O-Pb-Te-W,30.0,"Invalid WP multiplicities - A3B18C6D2E_hP30_164_ad_13i_c4d_d_b:Mg-O-Pb-Te-W, expected Mg3Te2Pb10WO78 to be Mg3Te2Pb6WO18" +mp-1516899,NaPrCuWO6,-7.5725332335,-2.2884432119,0.1113738185,0.1113738185,GGA+U,P-4n2,ABC6DE_tP20_118_a_c_ei_d_b:Cu-Na-O-Pr-W,20.0,ABC6DE_tP20_118_a_c_ei_d_b:Cu-Na-O-Pr-W +mp-1209632,PrCu(WO4)2,-8.5540101908,-2.3565199763,0.0370466102,0.0370466102,GGA+U,P-1,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Pr-W,24.0,AB8CD2_aP24_2_i_8i_i_2i:Cu-O-Pr-W +mp-1201159,Na2MnH4(SeO5)2,-5.8482609911,-1.5410673002,0.0,-0.0003952845,GGA+U,P2_1/c,A4BC2D10E2_mP38_14_2e_a_e_5e_e:H-Mn-Na-O-Se,38.0,A4BC2D10E2_mP38_14_2e_a_e_5e_e:H-Mn-Na-O-Se +mp-1079717,Sr2Ti2Sb2OF2,-6.47102197,-2.4490641849,0.0,-0.0373237141,GGA,I4/mmm,A2BC2D2E2_tI18_139_d_a_e_e_c:F-O-Sb-Sr-Ti,9.0,A2BC2D2E2_tI18_139_d_a_e_e_c:F-O-Sb-Sr-Ti +mp-1099223,CsMg6WO8,-6.00600764,-2.066712478,0.7174239273,0.7174239273,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cs-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cs-Mg-O-W, expected CsMg6WO12 to be CsMg6WO8" +mp-1099224,CsMg6WO8,-5.9711500525000005,-2.0318548905,0.7522815148,0.7522815148,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cs-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cs-Mg-O-W, expected CsMg6WO12 to be CsMg6WO8" +mp-1026614,CsMg14W,-1.9052651781,0.3608256533,0.3608256533,0.3608256533,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cs-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cs-Mg-W, expected CsMg18W to be CsMg14W" +mp-1026593,CsMg14W,-1.9336332644,0.332457567,0.332457567,0.332457567,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-W, expected CsMg26W to be CsMg14W" +mp-1233454,Cs2Tm2Mg(WO4)4,-8.2999336172,-2.5670417796,0.1292512124,0.1292512124,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W +mp-1234073,Cs2Tm2Mg(WO4)4,-8.274440886,-2.5415490484000003,0.1547439436,0.1547439436,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W +mp-1234327,Cs2Tm2Mg(WO4)4,-8.3029665116,-2.570074674,0.126218318,0.126218318,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W +mp-1234788,Cs2Tm2Mg(WO4)4,-8.3339422136,-2.601050376,0.095242616,0.095242616,GGA+U,P1,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W,25.0,A2BC16D2E4_aP25_1_2a_a_16a_2a_4a:Cs-Mg-O-Tm-W +mp-1234942,Cs2Tm2Mg(WO4)4,-8.26771568,-2.5348238424,0.1614691496,0.1614691496,GGA+U,C2,A2BC16D2E4_mC50_5_ab_a_8c_ab_2c:Cs-Mg-O-Tm-W,25.0,"Invalid WP multiplicities - A2BC16D2E4_mC50_5_ab_a_16c_ab_4c:Cs-Mg-O-Tm-W, expected Cs2Tm2Mg(WO4)8 to be Cs2Tm2Mg(WO4)4" +mp-1098527,CsMg30WO32,-6.2728193942,-2.8328823182,0.1536820076,0.1536820076,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cs-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cs-Mg-O-W, expected CsMg110WO72 to be CsMg30WO32" +mp-1039763,CsMg30WO32,-6.265956912,-2.8260198361,0.1605444898,0.1605444898,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cs-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cs-Mg-O-W, expected CsMg90WO80 to be CsMg30WO32" +mp-1034075,CsMg14WO16,-6.1616684219,-2.5552786506,0.3638097018,0.3638097018,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cs-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cs-Mg-O-W, expected CsMg18WO20 to be CsMg14WO16" +mp-1099220,CsMg14WO16,-6.17438724,-2.5679974687,0.3510908837,0.3510908837,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cs-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cs-Mg-O-W, expected CsMg30WO32 to be CsMg14WO16" +mp-1016429,CsMg6W,-2.3876915294,0.5442100834,0.5442100834,0.5442100834,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-W,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cs-Mg-W, expected CsMg12W to be CsMg6W" +mp-1100169,CsMg6W,-2.2369879737,0.694913639,0.694913639,0.694913639,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-W,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-W +mp-1195571,Cs2Mg2(WO4)3,-7.8647301829,-2.4317817582,0.0215830716,0.0215830716,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Cs-Mg-O-W,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Cs-Mg-O-W +mp-2232192,Cs4Mg(WO4)2,-6.7039592533,-1.9925152741,0.2574865075,0.2574865075,GGA+U,P1,A4BC8D2_aP15_1_4a_a_8a_2a:Cs-Mg-O-W,15.0,A4BC8D2_aP15_1_4a_a_8a_2a:Cs-Mg-O-W +mp-1219659,Rb3Ti4Tl(PO5)4,-7.8976677628,-2.9766303352000003,0.000194731,0.000194731,GGA,P2_1,A20B4C3D4E_mP64_4_20a_4a_3a_4a_a:O-P-Rb-Ti-Tl,64.0,A20B4C3D4E_mP64_4_20a_4a_3a_4a_a:O-P-Rb-Ti-Tl +mp-1219683,Rb3Ti4Tl(PO5)4,-7.8975439305,-2.9765065029,0.0003185633,0.0003185633,GGA,P2_1,A20B4C3D4E_mP64_4_20a_4a_3a_4a_a:O-P-Rb-Ti-Tl,64.0,A20B4C3D4E_mP64_4_20a_4a_3a_4a_a:O-P-Rb-Ti-Tl +mp-6706,TiTlPO5,-7.8390919483,-2.788481795,0.0,-0.0192391865,GGA,Pna2_1,A5BCD_oP64_33_10a_2a_2a_2a:O-P-Ti-Tl,64.0,"Invalid WP multiplicities - A5BCD_oP64_33_13a_3a_4a_2a:O-P-Ti-Tl, expected Ti4Tl2P3O13 to be TiTlPO5" +mp-559607,TiTlPO5,-7.8354880006,-2.7848778473,0.0036039477,-0.0156352388,GGA,Pnna,A5BCD_oP64_52_5e_cd_ad_e:O-P-Ti-Tl,64.0,"Invalid WP multiplicities - A5BCD_oP64_52_34e_2c2d_2a2d_e:O-P-Ti-Tl, expected Ti2Tl(PO17)2 to be TiTlPO5" +mp-554111,Ti3Tl3(PO4)5,-7.8382923451,-2.781044208,0.0,-0.0215689997,GGA,Pca2_1,A20B5C3D3_oP124_29_20a_5a_3a_3a:O-P-Ti-Tl,124.0,"Invalid WP multiplicities - A20B5C3D3_oP124_29_79a_16a_8a_6a:O-P-Ti-Tl, expected Ti8Tl6P16O79 to be Ti3Tl3(PO4)5" +mp-1196135,Cs3Cu3Cl8O,-3.760342448,-1.4457551735,0.0294799515,0.0294799515,GGA,P2_1/c,A8B3C3D_mP60_14_8e_3e_3e_e:Cl-Cs-Cu-O,60.0,A8B3C3D_mP60_14_8e_3e_3e_e:Cl-Cs-Cu-O +mp-770633,RbLi2Co2(BO3)3,-7.1627762912,-2.2466945788,0.0756394691,0.0756394691,GGA+U,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Co-Li-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_e2g_g_g_e8g_f:B-Co-Li-O-Rb, expected RbLi2Co2B5O17 to be RbLi2Co2(BO3)3" +mp-1211432,LaVSb3,-5.9671654075,-0.6857820285,0.0046761375,0.0046761375,GGA,Pbcm,AB3C_oP20_57_d_c2d_c:La-Sb-V,20.0,AB3C_oP20_57_d_c2d_c:La-Sb-V +mp-1519706,NaLaVSbO6,-7.413887734,-2.4987305364,0.1912196609,0.1912196609,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sb-V,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-Sb-V +mp-757929,Li4Ti2V3Sn3O16,-7.5841667968,-2.5179479163,0.0624717213,0.0624717213,GGA+U,Cm,A4B16C3D2E3_mC56_8_4a_8a4b_ab_2a_ab:Li-O-Sn-Ti-V,28.0,"Invalid WP multiplicities - A4B16C3D2E3_mC56_8_4a_8a6b_ab_2a_ab:Li-O-Sn-Ti-V, expected Li4Ti2V3Sn3O20 to be Li4Ti2V3Sn3O16" +mp-754570,Li4Ti3V3(SnO8)2,-7.906708255,-2.7017065115000003,0.0303042246,0.0303042246,GGA+U,Cm,A4B16C2D3E3_mC56_8_4a_8a4b_2a_ab_ab:Li-O-Sn-Ti-V,28.0,"Invalid WP multiplicities - A4B16C2D3E3_mC56_8_4a_8a6b_2a_ab_ab:Li-O-Sn-Ti-V, expected Li4Ti3V3(SnO10)2 to be Li4Ti3V3(SnO8)2" +mp-776175,Li4Ti3V2Sn3O16,-7.6016027718,-2.5778272503,0.0990967483,0.0990967483,GGA+U,Cm,A4B16C3D3E2_mC56_8_4a_8a4b_ab_ab_2a:Li-O-Sn-Ti-V,28.0,"Invalid WP multiplicities - A4B16C3D3E2_mC56_8_4a_8a6b_ab_ab_2a:Li-O-Sn-Ti-V, expected Li4Ti3V2Sn3O20 to be Li4Ti3V2Sn3O16" +mp-1227456,Ca10Ge6F,-3.8689987459,-0.9451372813,0.0031159625,0.0031159625,GGA,I-42m,A10BC6_tI34_121_d2i_a_ci:Ca-F-Ge,17.0,"Invalid WP multiplicities - A10BC6_tI34_121_d3i_a_ci:Ca-F-Ge, expected Ca14Ge6F to be Ca10Ge6F" +mp-1173783,NaCa2GeO4F,-6.4783030619,-2.9610823152,0.0182190308,0.0182190308,GGA,P1,A2BCDE4_aP36_1_8a_4a_4a_4a_16a:Ca-F-Ge-Na-O,36.0,A2BCDE4_aP36_1_8a_4a_4a_4a_16a:Ca-F-Ge-Na-O +mp-1214065,Ca3GeO4F,-6.5620971656,-2.9689792425,0.2146036992,0.2146036992,GGA,Pnma,A3BCD4_oP36_62_cd_c_c_2cd:Ca-F-Ge-O,36.0,A3BCD4_oP36_62_cd_c_c_2cd:Ca-F-Ge-O +mp-1195500,RbY(SeO3)2,-6.6282771733,-2.2163811324,0.0,-0.1561164404,GGA,Pnma,A6BC2D_oP40_62_2c2d_c_2c_c:O-Rb-Se-Y,40.0,A6BC2D_oP40_62_2c2d_c_2c_c:O-Rb-Se-Y +mp-1209082,RbYSeCl2O3,-6.1062551881000005,-2.4212481735,0.0,-0.0039230756,GGA,P-1,A2B3CDE_aP16_2_2i_3i_i_i_i:Cl-O-Rb-Se-Y,16.0,A2B3CDE_aP16_2_2i_3i_i_i_i:Cl-O-Rb-Se-Y +mp-7688,Li2CdGeO4,-5.7625412825,-2.1187265083,0.0,-0.0353217463,GGA,Pmn2_1,ABC2D4_oP16_31_a_a_b_2ab:Cd-Ge-Li-O,16.0,"Invalid WP multiplicities - ABC2D4_oP16_31_a_a_b_4ab:Cd-Ge-Li-O, expected Li2CdGeO6 to be Li2CdGeO4" +mp-24405,LiCd4Ge5HO15,-5.9959724990000005,-1.9071771954,0.0,-0.0073501012,GGA,P-1,A4B5CDE15_aP52_2_4i_5i_i_i_15i:Cd-Ge-H-Li-O,52.0,"Invalid WP multiplicities - A4B5CDE15_aP52_2_5i_6i_i_i_20i:Cd-Ge-H-Li-O, expected LiCd5Ge6HO20 to be LiCd4Ge5HO15" +mp-1202839,LiCd4(GeO3)5,-5.9887027402,-1.8720646662,0.0268645893,0.0268645893,GGA,P-1,A4B5CD15_aP50_2_4i_5i_i_15i:Cd-Ge-Li-O,50.0,A4B5CD15_aP50_2_4i_5i_i_15i:Cd-Ge-Li-O +mp-1518507,BaEuYSnO6,-8.2419609088,-3.0087457112,0.0745835946,0.0745835946,GGA,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Eu-O-Sn-Y,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Eu-O-Sn-Y, expected BaEu2YSnO12 to be BaEuYSnO6" +mp-1518414,BaEuYSnO6,-8.146812532,-2.9135973344,0.1697319714,0.1697319714,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-Y +mp-1198784,Cs2UNb6(Cl5O)3,-6.3960463789,-2.090188563,0.0,-0.0051909578,GGA,P-31c,A15B2C6D3E_hP54_163_h2i_f_i_h_c:Cl-Cs-Nb-O-U,54.0,A15B2C6D3E_hP54_163_h2i_f_i_h_c:Cl-Cs-Nb-O-U +mp-1201406,Cs2Nb3Cl7O5,-6.5770219303,-2.4730266338,0.0,-0.0436674918,GGA,C2/c,A7B2C3D5_mC68_15_e3f_f_ef_a2f:Cl-Cs-Nb-O,34.0,A7B2C3D5_mC68_15_e3f_f_ef_c2f:Cl-Cs-Nb-O +mp-541096,CsUNbO6,-9.0118416028,-3.2375916373,0.0,-0.0278239081,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Cs-Nb-O-U,36.0,ABC6D_mP36_14_e_e_6e_e:Cs-Nb-O-U +mp-1228671,Cs2U4Nb4O23,-9.3827793294,-3.2877640172,0.0,-0.0020817101,GGA,Cm,A2B4C23D4_mC66_8_2a_2b_3a10b_2b:Cs-Nb-O-U,33.0,"Invalid WP multiplicities - A2B4C23D4_mC66_8_2a_4b_3a17b_3b:Cs-Nb-O-U, expected Cs2U6Nb8O37 to be Cs2U4Nb4O23" +mp-1190122,CsUCl4O3,-5.4179596378,-1.5934012871,0.6277319855,0.6277319855,GGA,P2_1/m,A4BC3D_mP18_11_2f_e_3e_e:Cl-Cs-O-U,18.0,A4BC3D_mP18_11_2f_e_3e_e:Cl-Cs-O-U +mp-541275,Cs2U(Cl2O)2,-6.0755022267,-2.7010868026,0.0,-0.0929400217,GGA,C2/m,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-U,9.0,A4B2C2D_mC18_12_j_i_i_a:Cl-Cs-O-U +mp-1228347,Ba6Nd2Y(CuO2)12,-6.3656238358,-2.0227877307,0.0070577542,0.0036680523,GGA,P2/m,A6B12C2D24E_mP45_10_3m_6n_m_3m9n_a:Ba-Cu-Nd-O-Y,45.0,"Invalid WP multiplicities - A6B12C2D24E_mP45_10_5m_10n_m_5m15n_a:Ba-Cu-Nd-O-Y, expected Ba10Nd2Y(CuO2)20 to be Ba6Nd2Y(CuO2)12" +mp-1228560,Ba6Nd2Y(CuO2)12,-6.37268159,-2.0298454849,0.0,-0.0033897019,GGA,Cmmm,A6B12C2D24E_oC90_65_3g_6h_g_3g9h_a:Ba-Cu-Nd-O-Y,45.0,"Invalid WP multiplicities - A6B12C2D24E_oC90_65_5g_10h_g_5g15h_a:Ba-Cu-Nd-O-Y, expected Ba10Nd2Y(CuO2)20 to be Ba6Nd2Y(CuO2)12" +mp-1228248,Ba4NdY(CuO2)8,-6.387315877,-2.0256095088,0.0101922275,0.0101922275,GGA,Pmmm,A4B8CD16E_oP30_47_ij_2k2l_a_ij3k3l_d:Ba-Cu-Nd-O-Y,30.0,"Invalid WP multiplicities - A4B8CD16E_oP30_47_2ij_2k4l_c_i2j5k4l_b:Ba-Cu-Nd-O-Y, expected Ba6NdY(CuO2)12 to be Ba4NdY(CuO2)8" +mp-542292,Mn3AgAs3(HO6)2,-6.9779401388,-1.7188128188,0.0,-0.0043501194,GGA+U,C2/c,AB3C2D3E12_mC84_15_e_ef_f_ef_6f:Ag-As-H-Mn-O,42.0,AB3C2D3E12_mC84_15_e_ef_f_ef_6f:Ag-As-H-Mn-O +mp-1201547,Ho4BClO7,-8.4727931388,-3.7432250704,0.0,-0.0111380955,GGA,P2_1/c,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Ho-O,52.0,ABC4D7_mP52_14_e_e_4e_7e:B-Cl-Ho-O +mp-558195,Ba2HoB2ClO6,-7.7741164429,-3.3317988413,0.0,-0.0142832019,GGA,P2_1/m,A2B2CDE6_mP24_11_2e_2e_e_e_2e2f:B-Ba-Cl-Ho-O,24.0,"Invalid WP multiplicities - A2B2CDE6_mP24_11_3e_3e_e_e_4e5f:B-Ba-Cl-Ho-O, expected Ba3HoB3ClO14 to be Ba2HoB2ClO6" +mp-1214684,Ba2HoCl7,-5.004617479,-2.8686059420000003,0.0,-0.0186196615,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Ho,40.0,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Ho +mp-1214639,Ba3Ho(BO2)9,-8.2803360244,-3.1353600105,0.0082919012,0.0082919012,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Ho-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Ho-O +mp-14384,Ba3Ho(BO3)3,-7.98806312,-3.3069564073,0.0,-0.0235164016,GGA,P6_3cm,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Ho-O,96.0,A3B3CD9_hP96_185_3c_ab2c_ab_3c3d:B-Ba-Ho-O +mp-699558,K10Zr3Cd(MoO4)12,-7.7895814439,-2.3131106253,0.0023635558,0.0023635558,GGA+U,R3,AB10C12D48E3_hR222_146_a_4a2b_4b_16b_3a:Cd-K-Mo-O-Zr,74.0,"Invalid WP multiplicities - AB10C12D48E3_hR222_146_a_4a2b_8b_39b_3a:Cd-K-Mo-O-Zr, expected K10Zr3Cd(Mo8O39)3 to be K10Zr3Cd(MoO4)12" +mp-555816,KDy(SeO4)2,-6.3715304109,-2.0146538749,0.0,-0.0092815993,GGA,Pna2_1,ABC8D2_oP96_33_2a_2a_16a_4a:Dy-K-O-Se,96.0,"Invalid WP multiplicities - ABC8D2_oP96_33_3a_6a_58a_14a:Dy-K-O-Se, expected K6Dy3(Se7O29)2 to be KDy(SeO4)2" +mp-1521578,KCaDySeO6,-6.496973107,-2.4070901658,0.1937515143,0.1937515143,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-K-O-Se,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-K-O-Se +mp-1197046,Li3MgZn5(BH4)15,-4.041308646,-0.2629728607,0.0,-0.0063989273,GGA,Cmcm,A15B60C3DE5_oC336_63_cf4gh_3f9g9h_cg_c_c2g:B-H-Li-Mg-Zn,168.0,A15B60C3DE5_oC336_63_cf4gh_3f9g9h_cg_c_c2g:B-H-Li-Mg-Zn +mp-1204713,LiZn(BH4)3,-4.0033946021,-0.2434208181,0.0278867754,0.0278867754,GGA,P2_1/c,A3B12CD_mP136_14_6e_24e_2e_2e:B-H-Li-Zn,136.0,A3B12CD_mP136_14_6e_24e_2e_2e:B-H-Li-Zn +mp-1198025,LiZn2(BH4)5,-4.00725316,-0.23297138,0.0,-0.0008441127,GGA,Cmce,A5B20CD2_oC224_64_3fg_6f7g_f_2f:B-H-Li-Zn,112.0,A5B20CD2_oC224_64_3fg_6f7g_f_2f:B-H-Li-Zn +mp-1199646,LiZn2(BH4)5,-3.9894902496,-0.2152084696,0.0177629104,0.0169187977,GGA,Cmce,A5B20CD2_oC224_64_3fg_6f7g_f_2f:B-H-Li-Zn,112.0,A5B20CD2_oC224_64_3fg_6f7g_f_2f:B-H-Li-Zn +mp-864762,LiMg2Zn,-1.72974728,-0.1374406358,0.0,-0.006135165,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Mg-Zn,4.0,AB2C_cF16_225_a_c_b:Li-Mg-Zn +mp-1190942,Mg(BH4)2,-4.177204855,-0.3498528594,0.0041093262,-0.0348329734,GGA,F222,A2B8C_oF88_22_k_4k_ac:B-H-Mg,22.0,A2B8C_oF88_22_k_4k_ac:B-H-Mg +mp-571156,Mg(BH4)2,-4.157346975,-0.3299949794,0.0239672062,-0.0149750934,GGA,Pmc2_1,A2B8C_oP22_26_ab_2a2b2c_a:B-H-Mg,22.0,"Invalid WP multiplicities - A2B8C_oP22_26_ab_4a3b6c_a:B-H-Mg, expected MgB2H19 to be Mg(BH4)2" +mp-1202941,Mg(BH4)2,-4.1553117225,-0.3279597269,0.0260024587,-0.0129398409,GGA,Fddd,A2B8C_oF176_70_h_4h_ab:B-H-Mg,44.0,A2B8C_oF176_70_h_4h_ab:B-H-Mg +mp-1192119,Mg(BH4)2,-4.1357888614,-0.3084368658,0.0455253198,0.0065830202,GGA,P4_2nm,A2B8C_tP22_102_c_2cd_a:B-H-Mg,22.0,A2B8C_tP22_102_c_2cd_a:B-H-Mg +mp-1192265,Mg(BH4)2,-4.1520372059,-0.3246852103,0.0292769753,-0.0096653243,GGA,P-4n2,A2B8C_tP22_118_f_2i_a:B-H-Mg,22.0,"Invalid WP multiplicities - A2B8C_tP22_118_f_4i_a:B-H-Mg, expected Mg(BH8)2 to be Mg(BH4)2" +mp-1185521,Mg(BH4)2,-4.1722653045,-0.3449133089,0.0090488767,-0.029893423,GGA,I-4m2,A2B8C_tI44_119_i_2ij_ac:B-H-Mg,22.0,A2B8C_tI44_119_i_2ij_ac:B-H-Mg +mp-1190680,Mg(BH4)2,-4.1774118855,-0.3500598898,0.0039022958,-0.0350400039,GGA,I-4m2,A2B8C_tI44_119_i_2ij_ac:B-H-Mg,22.0,A2B8C_tI44_119_i_2ij_ac:B-H-Mg +mp-1202088,Mg(BH4)2,-4.1541978145,-0.3268458189,0.0271163667,-0.011825933,GGA,I4_1/amd,A2B8C_tI88_141_h_2hi_ab:B-H-Mg,44.0,A2B8C_tI88_141_h_2hi_ab:B-H-Mg +mp-1196763,Mg(BH4)2,-4.1553940111,-0.3280420155,0.0259201701,-0.0130221295,GGA,I4_1/acd,A2B8C_tI88_142_e_2g_b:B-H-Mg,44.0,A2B8C_tI88_142_e_2g_b:B-H-Mg +mp-1103290,Mg(BH4)2,-4.1336904273,-0.3063384317,0.0476237539,0.0086814543,GGA,P-3m1,A2B8C_hP11_164_d_di_a:B-H-Mg,11.0,A2B8C_hP11_164_d_di_a:B-H-Mg +mp-1202830,Mg(BH4)2,-4.0540774814,-0.2267254858,0.1272366998,0.0882944002,GGA,Fd-3m,A2B8C_cF176_227_e_eg_ab:B-H-Mg,44.0,A2B8C_cF176_227_e_eg_ab:B-H-Mg +mp-1200811,Mg(BH4)2,-4.1813141812,-0.3539621856,0.0,-0.0389422996,GGA,Ia-3d,A2B8C_cI264_230_g_2h_d:B-H-Mg,132.0,A2B8C_cI264_230_g_2h_d:B-H-Mg +mp-1204358,Mg2B4H15,-4.1780693024,-0.3300208329,0.0199483725,0.0199483725,GGA,P1,A4B15C2_aP42_1_8a_30a_4a:B-H-Mg,42.0,A4B15C2_aP42_1_8a_30a_4a:B-H-Mg +mp-604315,Zn(BH4)2,-3.9404389714,-0.1440448339,0.0286053455,-0.0245847091,GGA,Pmc2_1,A2B8C_oP22_26_ab_2a2b2c_a:B-H-Zn,22.0,"Invalid WP multiplicities - A2B8C_oP22_26_a2b_4a4b7c_a:B-H-Zn, expected ZnB3H22 to be Zn(BH4)2" +mp-1191586,Zn(BH4)2,-3.9690443168,-0.1726501794,0.0,-0.0531900545,GGA,I4_122,A2B8C_tI44_98_f_2g_a:B-H-Zn,22.0,A2B8C_tI44_98_f_2g_a:B-H-Zn +mp-1202883,MgB2H7,-4.1674305622,-0.2966159716,0.0489609557,0.0489609557,GGA,P1,A2B7C_aP40_1_8a_28a_4a:B-H-Mg,40.0,A2B7C_aP40_1_8a_28a_4a:B-H-Mg +mp-1201512,Mg4B8H31,-4.1458480181,-0.3083884423,0.0436236832,0.0436236832,GGA,P1,A8B31C4_aP43_1_8a_31a_4a:B-H-Mg,43.0,A8B31C4_aP43_1_8a_31a_4a:B-H-Mg +mp-1027971,LiMg14Zn,-1.6084380337000002,-0.0101513352,0.0437523466,0.0437523466,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Zn, expected LiMg18Zn to be LiMg14Zn" +mp-1027955,LiMg14Zn,-1.6072150981000002,-0.0089283996,0.0449752822,0.0449752822,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Zn, expected LiMg26Zn to be LiMg14Zn" +mp-1198945,Mg(BH3)2,-4.2224776094,-0.2985420693,0.0367862089,0.0367862089,GGA,P1,A2B6C_aP36_1_8a_24a_4a:B-H-Mg,36.0,A2B6C_aP36_1_8a_24a_4a:B-H-Mg +mp-1202722,Mg(BH3)2,-4.2248159333,-0.3008803931,0.034447885,0.034447885,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:B-H-Mg,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_5e_21e_e:B-H-Mg, expected MgB5H21 to be Mg(BH3)2" +mp-1097187,Li2MgZn,-0.688124425,0.9813429233,1.1206760225,1.1206760225,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Mg-Zn,4.0,A2BC_oI8_71_e_a_b:Li-Mg-Zn +mp-1222610,Li2MgZn,-1.8007831375,-0.1313157892,0.00801731,0.00801731,GGA,F-43m,A2BC_cF16_216_ac_b_d:Li-Mg-Zn,4.0,A2BC_cF16_216_ac_b_d:Li-Mg-Zn +mp-1022597,LiMg6Zn,-1.6207454719,-0.0244521248,0.0572972083,0.0572972083,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Zn, expected LiMg12Zn to be LiMg6Zn" +mp-1022601,LiMg6Zn,-1.6212834925,-0.0249901454,0.0567591877,0.0567591877,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Zn, expected LiMg12Zn to be LiMg6Zn" +mp-1211673,Li7Mg8Zn9,-1.738529385,-0.1759296785,0.0,-0.0137442326,GGA,P6_3/mmc,A7B8C9_hP96_194_fij_ef2k_2h2k:Li-Mg-Zn,96.0,A7B8C9_hP96_194_fij_ef2k_2h2k:Li-Mg-Zn +mp-1095761,LiMgZn2,-0.537344805,0.9698277292,1.1429706113,1.1429706113,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Mg-Zn,4.0,ABC2_oI8_71_a_b_e:Li-Mg-Zn +mp-556276,Mo2P2PbO12,-7.8723542532,-2.2493650275,0.0,-0.0142540524,GGA+U,P2_1/c,A2B12C2D_mP68_14_2e_12e_2e_e:Mo-O-P-Pb,68.0,"Invalid WP multiplicities - A2B12C2D_mP68_14_6e_45e_5e_e:Mo-O-P-Pb, expected Mo6P5PbO45 to be Mo2P2PbO12" +mp-554832,MoP3Pb2O11,-7.6700470154,-2.4391983335000003,0.0,-0.0402103144,GGA+U,P2_1/c,AB11C3D2_mP68_14_e_11e_3e_2e:Mo-O-P-Pb,68.0,"Invalid WP multiplicities - AB11C3D2_mP68_14_e_42e_10e_5e:Mo-O-P-Pb, expected MoP10Pb5O42 to be MoP3Pb2O11" +mp-649327,Mo6PbBr14,-5.4590290724,-1.1481269605,0.0,-0.0107403425,GGA,Pn-3,A14B6C_cP84_201_e2h_h_b:Br-Mo-Pb,84.0,"Invalid WP multiplicities - A14B6C_cP84_201_7e28h_h_b:Br-Mo-Pb, expected Mo6PbBr182 to be Mo6PbBr14" +mp-1220062,P3Pb5BrO12,-6.830753806,-2.2728282948,0.0,-0.0072147321,GGA,P6_3,AB12C3D5_hP42_173_a_4c_c_2bc:Br-O-P-Pb,42.0,AB12C3D5_hP42_173_a_4c_c_2bc:Br-O-P-Pb +mp-1210057,P3Pb5BrO12,-6.8305686631,-2.2726431519,0.0001851429,-0.0070295892,GGA,P6_3/m,AB12C3D5_hP42_176_b_2hi_h_fh:Br-O-P-Pb,42.0,AB12C3D5_hP42_176_b_2hi_h_fh:Br-O-P-Pb +mp-704436,Mo3P5Pb3O23,-7.7835611435,-2.3566421896,0.0,-0.0057552678,GGA+U,Pnma,A3B23C5D3_oP136_62_cd_3c10d_c2d_cd:Mo-O-P-Pb,136.0,"Invalid WP multiplicities - A3B23C5D3_oP136_62_2c2d_12c72d_3c10d_3c4d:Mo-O-P-Pb, expected Mo6P23Pb11O156 to be Mo3P5Pb3O23" +mp-1200601,Mo3P2PbO14,-8.0375057372,-2.2210135187,0.0083566783,0.0083566783,GGA+U,P2_1/m,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Pb,40.0,A3B14C2D_mP40_11_3e_8e3f_2e_e:Mo-O-P-Pb +mp-705127,Mo2P3Pb2BrO15,-7.2950361698,-2.0293900446,0.2080375464,0.2080375464,GGA+U,Fdd2,AB2C15D3E2_oF368_43_b_2b_15b_2a2b_2ab:Br-Mo-O-P-Pb,92.0,"Invalid WP multiplicities - AB2C15D3E2_oF368_43_b_4b_57b_4a6b_3ab:Br-Mo-O-P-Pb, expected Mo8P16Pb5(BrO57)2 to be Mo2P3Pb2BrO15" +mp-555025,MoP2PbO8,-7.8354128477,-2.4222118574,0.0,-0.0069563501,GGA+U,C2/c,AB8C2D_mC96_15_f_2e7f_2f_f:Mo-O-P-Pb,48.0,"Invalid WP multiplicities - AB8C2D_mC96_15_f_4e24f_5f_f:Mo-O-P-Pb, expected MoP5PbO26 to be MoP2PbO8" +mp-1516922,BaSrInWO6,-7.518667082,-2.6188256199,0.02847261,0.02847261,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-In-O-Sr-W,,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-In-O-Sr-W, expected BaSrInWO12 to be BaSrInWO6" +mp-1516873,BaSrInWO6,-7.426866565,-2.5270251029,0.120273127,0.120273127,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-In-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-In-O-Sr-W +mp-1245976,Fe3SiN4,-8.270092869399999,-0.2474226994,0.3414586261,0.3414586261,GGA,Pmn2_1,A3B4C_oP16_31_ab_2ab_a:Fe-N-Si,16.0,A3B4C_oP16_31_ab_2ab_a:Fe-N-Si +mp-1246800,Fe3SiN4,-8.3953136169,-0.3726434469,0.2162378786,0.2162378786,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:Fe-N-Si,32.0,A3B4C_oP32_62_cd_2cd_c:Fe-N-Si +mp-1245541,FeSiN2,-8.0377231,-0.3956408275,0.467484986,0.467484986,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Fe-N-Si,16.0,AB2C_mP16_14_e_2e_e:Fe-N-Si +mp-1246734,FeSiN2,-8.2518062056,-0.6097239331000001,0.2534018804,0.2534018804,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Fe-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:Fe-N-Si +mp-11705,Dy2Fe2Si2C,-7.27572386,-0.6710213382,0.0,-0.0798227936,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Dy-Fe-Si,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Dy-Fe-Si +mp-1246746,FeSi7N10,-8.2299327919,-1.0181440881,0.1844560566,0.1844560566,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Fe-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Fe-N-Si +mp-568668,DyFe2SiC,-7.750767396,-0.5106048395,0.0,-0.0408899028,GGA,Cmcm,ABC2D_oC20_63_a_c_f_c:C-Dy-Fe-Si,10.0,ABC2D_oC20_63_a_c_f_c:C-Dy-Fe-Si +mp-1225614,Dy2Fe15Si2C,-7.935836937,-0.1186772679,0.1161802005,0.1161802005,GGA,C2/m,AB2C15D2_mC40_12_a_i_degi2j_i:C-Dy-Fe-Si,20.0,"Invalid WP multiplicities - AB2C15D2_mC40_12_a_i_df2g2i3j_i:C-Dy-Fe-Si, expected Dy2Fe23Si2C to be Dy2Fe15Si2C" +mp-1225737,Dy2Fe15Si2CN,-8.0400171633,-0.1981272439,0.1602900767,0.1602900767,GGA,P-1,AB2C15DE2_aP21_2_d_i_aeg6i_b_i:C-Dy-Fe-N-Si,21.0,"Invalid WP multiplicities - AB2C15DE2_aP21_2_d_i_aeg12i_b_i:C-Dy-Fe-N-Si, expected Dy2Fe27Si2CN to be Dy2Fe15Si2CN" +mp-1246402,FeSi2N3,-8.1308722967,-0.7425152892,0.3034401831,0.3034401831,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Fe-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Fe-N-Si +mp-769549,LiZnCr3(SO4)6,-7.0273957294,-2.0083375249,0.0107583013,0.0107583013,GGA+U,P1,A3BC24D6E_aP35_1_3a_a_24a_6a_a:Cr-Li-O-S-Zn,35.0,A3BC24D6E_aP35_1_3a_a_24a_6a_a:Cr-Li-O-S-Zn +mp-532759,LiZnCr3(SO4)6,-7.0285986631,-2.0095404586,0.0095553675,0.0095553675,GGA+U,P1,A3BC24D6E_aP70_1_6a_2a_48a_12a_2a:Cr-Li-O-S-Zn,70.0,A3BC24D6E_aP70_1_6a_2a_48a_12a_2a:Cr-Li-O-S-Zn +mp-727221,LiZnCr3(SO4)6,-3.5091871277,1.5098710768,3.528966903,3.528966903,GGA+U,P1,A3BC24D6E_aP70_1_6a_2a_48a_12a_2a:Cr-Li-O-S-Zn,70.0,A3BC24D6E_aP70_1_6a_2a_48a_12a_2a:Cr-Li-O-S-Zn +mp-766220,ZnCr3(SO4)6,-7.0378654979,-1.9273327247,0.0059822725,0.0059822725,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Cr-O-S-Zn,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_4b_a:Cr-O-S-Zn, expected ZnCr3(SO5)12 to be ZnCr3(SO4)6" +mp-772839,Li2ZnCr3(SO4)6,-6.9596263581,-2.0269608018,0.0269575478,0.0269575478,GGA+U,P1,A3B2C24D6E_aP36_1_3a_2a_24a_6a_a:Cr-Li-O-S-Zn,36.0,A3B2C24D6E_aP36_1_3a_2a_24a_6a_a:Cr-Li-O-S-Zn +mp-1222371,LiZn2CrO4,-6.21403292,-1.9805063698,0.11989026,0.11989026,GGA+U,I4/mmm,ABC4D2_tI16_139_a_b_ce_d:Cr-Li-O-Zn,8.0,"Invalid WP multiplicities - ABC4D2_tI16_139_a_b_2c2e_d:Cr-Li-O-Zn, expected LiZn2CrO8 to be LiZn2CrO4" +mp-1521352,KEuAlBiO6,-7.131171621,-2.2678118236,0.1946812395,0.1946812395,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-Eu-K-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Al-Bi-Eu-K-O +mp-1516479,SrNdHfVO6,-8.847235178,-3.3293483527,0.1884151083,0.1884151083,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-Nd-O-Sr-V,,ABC6DE_cF40_216_a_c_f_d_b:Hf-Nd-O-Sr-V +mp-1520978,KSrCaMnO6,-6.416969765,-2.052205781,0.1784838187,0.1784838187,GGA+U,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ca-K-Mn-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ca-K-Mn-O-Sr +mp-728313,RbAsOF5,-4.8794984567,-2.3615314534,0.1496484652,0.1496484652,GGA,Pnma,AB5CD_oP64_62_2c_4c3d_2c_d:As-F-O-Rb,64.0,AB5CD_oP64_62_2c_4c3d_2c_d:As-F-O-Rb +mp-1205185,Rb3Sc2(AsO4)3,-6.9188897086,-2.4716816997,0.0,-0.1108297981,GGA,Pa-3,A3B12C3D2_cP320_205_2d_8d_3cd_abd:As-O-Rb-Sc,320.0,A3B12C3D2_cP320_205_2d_8d_3cd_abd:As-O-Rb-Sc +mp-17337,RbAsOF4,-5.1936456043,-2.589037453,0.0,-0.0577440442,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:As-F-O-Rb,28.0,AB4CD_mP28_14_e_4e_e_e:As-F-O-Rb +mp-554223,RbScAs2O7,-7.0516544177,-2.3918306935,0.0,-0.0740045203,GGA,P2_1/c,A2B7CD_mP44_14_2e_7e_e_e:As-O-Rb-Sc,44.0,"Invalid WP multiplicities - A2B7CD_mP44_14_5e_21e_e_e:As-O-Rb-Sc, expected RbScAs5O21 to be RbScAs2O7" +mp-15865,RbScAsO4F,-7.0463818319,-2.8375874075,0.0,-0.0408435299,GGA,Pna2_1,ABC4DE_oP64_33_2a_2a_8a_2a_2a:As-F-O-Rb-Sc,64.0,"Invalid WP multiplicities - ABC4DE_oP64_33_3a_2a_12a_2a_2a:As-F-O-Rb-Sc, expected Rb2Sc2As3(O6F)2 to be RbScAsO4F" +mp-757815,Li4Cr3Ni3(WO8)2,-7.7320095239,-2.0534908183,0.0334151718,0.0334151718,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Ni-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Ni-O-W, expected Li4Cr3Ni3(WO10)2 to be Li4Cr3Ni3(WO8)2" +mp-504106,LiTiPO4,-7.6445778975,-2.6439390068,0.279251811,0.279251811,GGA,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-P-Ti,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_4c2d_c_c:Li-O-P-Ti, expected LiTiPO8 to be LiTiPO4" +mp-1012865,LiTi3P3O13,-8.2956695413,-2.9885565571,0.0596451287,0.0596451287,GGA,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Li-O-P-Ti,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Li-O-P-Ti, expected LiTi5P3O34 to be LiTi3P3O13" +mp-776502,LiTi2(PO4)3,-8.1906476267,-3.0073099069,0.0120970336,-0.0071610904,GGA,P1,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Ti,36.0,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Ti +mp-772524,LiTi2(PO4)3,-8.1766687586,-2.9933310389,0.0260759017,0.0068177776,GGA,P1,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Ti,36.0,AB12C3D2_aP36_1_2a_24a_6a_4a:Li-O-P-Ti +mp-774539,LiTi2(PO4)3,-8.1944737271,-3.0111360074,0.0082709332,-0.0109871908,GGA,P1,AB12C3D2_aP72_1_4a_48a_12a_8a:Li-O-P-Ti,72.0,AB12C3D2_aP72_1_4a_48a_12a_8a:Li-O-P-Ti +mp-774579,LiTi2(PO4)3,-8.1905204415,-3.0071827218,0.0122242188,-0.0070339053,GGA,P-1,AB12C3D2_aP72_2_2i_24i_6i_4i:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_aP72_2_3i_47i_11i_7i:Li-O-P-Ti, expected Li3Ti7P11O47 to be LiTi2(PO4)3" +mp-787252,LiTi2(PO4)3,-4.6865730614,0.4967646583,3.5161715989,3.4969134749,GGA,P-1,AB12C3D2_aP72_2_2i_24i_6i_4i:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_aP72_2_3i_47i_11i_7i:Li-O-P-Ti, expected Li3Ti7P11O47 to be LiTi2(PO4)3" +mp-725054,LiTi2(PO4)3,-2.9695572861,2.2137804336,5.2331873742,5.2139292501,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Ti, expected LiTi3P5O23 to be LiTi2(PO4)3" +mp-26884,LiTi2(PO4)3,-8.1972173903,-3.0138796706,0.00552727,-0.013730854,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-Ti, expected LiTi3P5O23 to be LiTi2(PO4)3" +mp-18640,LiTi2(PO4)3,-8.2027446603,-3.0194069406,0.0,-0.019258124,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_6f_e_c:Li-O-P-Ti, expected LiTi2(PO12)3 to be LiTi2(PO4)3" +mp-762322,LiTi2(PO4)3,-8.1928885414,-3.0095508217,0.0098561189,-0.0094020051,GGA,C2,AB12C3D2_mC72_5_c_12c_ab2c_2c:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_5_c_22c_ab2c_4c:Li-O-P-Ti, expected LiTi4P3O22 to be LiTi2(PO4)3" +mp-759377,LiTi2(PO4)3,-8.1992237092,-3.0158859894,0.0035209511,-0.0157371729,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_48e_9e_6e:Li-O-P-Ti, expected LiTi6(P3O16)3 to be LiTi2(PO4)3" +mp-25840,LiTi2(PO4)3,-8.2018104921,-3.0184727724,0.0009341682,-0.0183239558,GGA,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_11e_3e:Li-O-P-Ti, expected LiTi3P11O45 to be LiTi2(PO4)3" +mp-773843,LiTi2(PO4)3,-8.1945511011,-3.0112133814,0.0081935592,-0.0110645649,GGA,P2_12_12,AB12C3D2_oP72_18_c_12c_ab2c_2c:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_18_c_22c_ab2c_2c:Li-O-P-Ti, expected LiTi2P3O22 to be LiTi2(PO4)3" +mp-773017,LiTi2(PO4)3,-8.1970934124,-3.0137556926,0.0056512479,-0.0136068761,GGA,Pca2_1,AB12C3D2_oP72_29_a_12a_3a_2a:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_29_a_22a_4a_2a:Li-O-P-Ti, expected LiTi2(P2O11)2 to be LiTi2(PO4)3" +mp-759793,LiTi2(PO4)3,-8.2012508226,-3.0179131029,0.0014938376,-0.0177642864,GGA,Pna2_1,AB12C3D2_oP72_33_a_12a_3a_2a:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_33_a_45a_11a_6a:Li-O-P-Ti, expected LiTi6P11O45 to be LiTi2(PO4)3" +mp-774742,Li3Sc2(PO4)3,-7.8208305341,-3.1212365909,0.0010613128,-0.0062678144,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sc,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_10e_46e_10e_7e:Li-O-P-Sc, expected Li10Sc7(P5O23)2 to be Li3Sc2(PO4)3" +mp-6565,Li3Sc2(PO4)3,-7.8218918469,-3.1222979036,0.0,-0.0073291271,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sc,80.0,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Sc +mp-675800,Li5TiP3,-4.4993107044,-0.7570869411000001,0.0280778096,0.0280778096,GGA,C2/c,A5B3C_mC36_15_e2f_af_e:Li-P-Ti,18.0,"Invalid WP multiplicities - A5B3C_mC36_15_2e7f_cf_e:Li-P-Ti, expected Li16TiP3 to be Li5TiP3" +mp-757327,Li7Ti2P7O24,-7.3804003283,-2.7362230603,0.0986697378,0.0986697378,GGA,P2/c,A7B24C7D2_mP80_13_e3g_12g_f3g_g:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A7B24C7D2_mP80_13_e10g_41g_f5g_g:Li-O-P-Ti, expected Li21Ti2P11O82 to be Li7Ti2P7O24" +mp-757797,LiTiP2O7,-7.8652909,-2.8418508204,0.0758941537,0.0758941537,GGA,P1,AB7C2D_aP44_1_4a_28a_8a_4a:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mC88_15_f_25f_5f_f:Li-O-P-Ti, expected LiTi(PO5)5 to be LiTiP2O7" +mp-26629,LiTiP2O7,-7.8873173764,-2.8638772968,0.0538676773,0.0538676773,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-Ti,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_11a_2a_a:Li-O-P-Ti, expected LiTiP2O11 to be LiTiP2O7" +mp-753627,LiTiP2O7,-7.8584852832,-2.8350452036,0.0826997705,0.0826997705,GGA,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-Ti,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-Ti, expected LiTiP3O13 to be LiTiP2O7" +mp-752926,LiTiP2O7,-7.8658890127,-2.8424489331,0.0752960409,0.0752960409,GGA,C2,AB7C2D_mC22_5_a_b3c_c_a:Li-O-P-Ti,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_b6c_c_a:Li-O-P-Ti, expected LiTiP2O13 to be LiTiP2O7" +mp-757673,LiTiP2O7,-7.8489091045,-2.8254690250000003,0.0922759491,0.0922759491,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Ti, expected LiTiP3O25 to be LiTiP2O7" +mp-758063,LiTiP2O7,-7.8427420084,-2.8193019288,0.0984430452,0.0984430452,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Ti, expected LiTiP3O25 to be LiTiP2O7" +mp-758145,LiTiP2O7,-7.8444078409,-2.8209677613,0.0967772127,0.0967772127,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-Ti, expected LiTiP3O25 to be LiTiP2O7" +mp-758201,LiTiP2O7,-7.8272385464,-2.8037984668,0.1139465073,0.1139465073,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_5e_e:Li-O-P-Ti, expected LiTi(PO5)5 to be LiTiP2O7" +mp-758218,LiTiP2O7,-7.8516426711,-2.8282025916,0.0895423825,0.0895423825,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_7e_e:Li-O-P-Ti, expected LiTiP7O27 to be LiTiP2O7" +mp-762355,LiTiP2O7,-7.8506070761,-2.8271669966,0.0905779775,0.0905779775,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_3e_e:Li-O-P-Ti, expected LiTi(PO9)3 to be LiTiP2O7" +mp-1176581,LiTiP2O7,-7.8655006505,-2.8420605709,0.0756844032,0.0756844032,GGA,C2/c,AB7C2D_mC88_15_f_7f_2f_f:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB7C2D_mC88_15_f_25f_5f_f:Li-O-P-Ti, expected LiTi(PO5)5 to be LiTiP2O7" +mp-757905,Li3Ti(PO4)2,-7.38424965,-2.8112228414,0.0716753255,0.0716753255,GGA,C2/m,A3B8C2D_mC28_12_ai_2ij_i_c:Li-O-P-Ti,14.0,"Invalid WP multiplicities - A3B8C2D_mC28_12_a2i_4ij_i_d:Li-O-P-Ti, expected Li5Ti(PO6)2 to be Li3Ti(PO4)2" +mp-757325,Li3Ti(PO4)2,-7.3823685293,-2.8093417207,0.0735564462,0.0735564462,GGA,P2_1/c,A3B8C2D_mP28_14_ae_4e_e_d:Li-O-P-Ti,28.0,"Invalid WP multiplicities - A3B8C2D_mP28_14_2a3e_15e_e_d:Li-O-P-Ti, expected Li8Ti(PO15)2 to be Li3Ti(PO4)2" +mp-758151,Li3Ti(PO4)2,-7.3805584087,-2.8075316002,0.0753665668,0.0753665668,GGA,P2_1/c,A3B8C2D_mP56_14_3e_8e_2e_e:Li-O-P-Ti,56.0,"Invalid WP multiplicities - A3B8C2D_mP56_14_11e_29e_5e_e:Li-O-P-Ti, expected Li11TiP5O29 to be Li3Ti(PO4)2" +mp-758270,Li3Ti(PO4)2,-7.3773277807,-2.8043009721,0.0785971948,0.0785971948,GGA,C2/c,A3B8C2D_mC56_15_ef_4f_f_a:Li-O-P-Ti,28.0,"Invalid WP multiplicities - A3B8C2D_mC56_15_ef_11f_f_c:Li-O-P-Ti, expected Li3Ti(PO11)2 to be Li3Ti(PO4)2" +mp-758035,Li3Ti3(PO4)4,-7.8917254769,-2.8835149363,0.0786228985,0.0786228985,GGA,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-Ti,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_29a_7a_5a:Li-O-P-Ti, expected Li5Ti5P7O29 to be Li3Ti3(PO4)4" +mp-758357,Li3Ti3(PO4)4,-7.8650735592,-2.8568630186,0.1052748162,0.1052748162,GGA,C2/c,A3B16C4D3_mC104_15_ef_8f_2f_cf:Li-O-P-Ti,52.0,"Invalid WP multiplicities - A3B16C4D3_mC104_15_ef_29f_3f_a2f:Li-O-P-Ti, expected Li3Ti5(P3O29)2 to be Li3Ti3(PO4)4" +mp-10517,LiScP2O7,-7.9657044205,-3.0843573328,0.0,-0.0199482898,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-Sc,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_11a_3a_a:Li-O-P-Sc, expected LiScP3O11 to be LiScP2O7" +mp-684059,LiTi(PO3)5,-7.707303543,-2.6586099936,0.0787794505,0.0787794505,GGA,Pc,AB15C5D_mP44_7_a_15a_5a_a:Li-O-P-Ti,44.0,"Invalid WP multiplicities - AB15C5D_mP44_7_a_28a_9a_a:Li-O-P-Ti, expected LiTiP9O28 to be LiTi(PO3)5" +mp-684119,LiTi(PO3)5,-7.7587845173,-2.7100909679000003,0.0272984762,0.0272984762,GGA,P2_1/c,AB15C5D_mP88_14_e_15e_5e_ac:Li-O-P-Ti,88.0,"Invalid WP multiplicities - AB15C5D_mP88_14_e_57e_16e_2a2c:Li-O-P-Ti, expected LiTi2P16O57 to be LiTi(PO3)5" +mp-1193287,Li2Sc(PO4)2,-7.525124745,-2.8673993956,0.0621177014,0.0621177014,GGA,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-Sc,26.0,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-Sc +mp-684066,Li2Ti(PO3)5,-7.6204277485,-2.708245968,0.0524133146,0.0524133146,GGA,Pc,A2B15C5D_mP46_7_2a_15a_5a_a:Li-O-P-Ti,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_7_4a_28a_9a_a:Li-O-P-Ti, expected Li4TiP9O28 to be Li2Ti(PO3)5" +mp-684108,Li2Ti(PO3)5,-7.6193618672,-2.7071800866,0.0534791959,0.0534791959,GGA,P2_1/m,A2B15C5D_mP46_11_f_3e6f_e2f_a:Li-O-P-Ti,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_11_f_6e21f_2e6f_a:Li-O-P-Ti, expected Li2Ti(P7O24)2 to be Li2Ti(PO3)5" +mp-762500,LiTi2P3O11,-8.0542176688,-2.8569594192,0.1110744023,0.1110744023,GGA,C2,AB11C3D2_mC68_5_c_ab10c_ab2c_2c:Li-O-P-Ti,34.0,"Invalid WP multiplicities - AB11C3D2_mC68_5_c_ab20c_ab4c_4c:Li-O-P-Ti, expected LiTi4P5O21 to be LiTi2P3O11" +mp-781803,Li3Ti2(PO4)3,-7.72312957,-2.8672333356,0.0671706155,0.0671706155,GGA,P1,A3B12C3D2_aP40_1_6a_24a_6a_4a:Li-O-P-Ti,40.0,A3B12C3D2_aP40_1_6a_24a_6a_4a:Li-O-P-Ti +mp-776625,Li3Ti2(PO4)3,-7.726596802,-2.8707005676,0.0637033835,0.0637033835,GGA,P1,A3B12C3D2_aP40_1_6a_24a_6a_4a:Li-O-P-Ti,40.0,A3B12C3D2_aP40_1_6a_24a_6a_4a:Li-O-P-Ti +mp-758310,Li3Ti2(PO4)3,-7.713062342,-2.8571661076,0.0772378435,0.0772378435,GGA,C2,A3B12C3D2_mC160_5_6c_24c_6c_2a2b2c:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mC160_5_11c_47c_11c_2a2b4c:Li-O-P-Ti, expected Li11Ti6P11O47 to be Li3Ti2(PO4)3" +mp-758362,Li3Ti2(PO4)3,-7.6955545957,-2.8396583613,0.0947455897,0.0947455897,GGA,C2,A3B12C3D2_mC160_5_6c_24c_6c_2a2b2c:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mC160_5_10c_48c_12c_2a2b4c:Li-O-P-Ti, expected Li5Ti3(PO4)6 to be Li3Ti2(PO4)3" +mp-758393,Li3Ti2(PO4)3,-7.691001223,-2.8351049886,0.0992989625,0.0992989625,GGA,C2,A3B12C3D2_mC80_5_ab2c_12c_ab2c_2c:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_5_ab3c_24c_ab2c_2c:Li-O-P-Ti, expected Li4Ti2(PO8)3 to be Li3Ti2(PO4)3" +mp-757276,Li3Ti2(PO4)3,-7.7153851578,-2.8594889233,0.0749150277,0.0749150277,GGA,C2/m,A3B12C3D2_mC80_12_3i_6i3j_3i_aci:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_12_6i_12i11j_6i_adi:Li-O-P-Ti, expected Li3TiP3O17 to be Li3Ti2(PO4)3" +mp-1177523,Li3Ti2(PO4)3,-7.696245877,-2.8403496426,0.0940543085,0.0940543085,GGA,P2/c,A3B12C3D2_mP80_13_abefg_12g_ef2g_2g:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_13_2a2b2ef4g_48g_2e2f7g_5g:Li-O-P-Ti, expected Li15Ti10(P3O16)6 to be Li3Ti2(PO4)3" +mp-25935,Li3Ti2(PO4)3,-7.7279555681,-2.8720593337,0.0623446174,0.0623446174,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_44e_9e_6e:Li-O-P-Ti, expected Li9Ti6P9O44 to be Li3Ti2(PO4)3" +mp-25839,Li3Ti2(PO4)3,-7.7350337253,-2.8791374908,0.0552664602,0.0552664602,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_7e_6e:Li-O-P-Ti, expected Li9Ti6P7O45 to be Li3Ti2(PO4)3" +mp-1177524,Li3Ti2(PO4)3,-7.7324398588,-2.8765436243,0.0578603267,0.0578603267,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-Ti,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_3e:Li-O-P-Ti, expected Li3Ti(PO5)3 to be Li3Ti2(PO4)3" +mp-757671,Li3Ti2(PO4)3,-7.7194532853,-2.8635570508,0.0708469002,0.0708469002,GGA,C2/c,A3B12C3D2_mC80_15_ef_6f_ef_f:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2e3f_21f_2e3f_f:Li-O-P-Ti, expected Li4TiP4O21 to be Li3Ti2(PO4)3" +mp-758287,Li3Ti2(PO4)3,-7.7021367795,-2.8462405451,0.088163406,0.088163406,GGA,C2/c,A3B12C3D2_mC80_15_a2e_6f_ef_f:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2a4e_21f_e2f_f:Li-O-P-Ti, expected Li6Ti2P5O42 to be Li3Ti2(PO4)3" +mp-759187,Li3Ti2(PO4)3,-7.697955025,-2.8420587906,0.0923451605,0.0923451605,GGA,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2a3f_21f_2e3f_f:Li-O-P-Ti, expected Li4TiP4O21 to be Li3Ti2(PO4)3" +mp-26883,Li3Ti2(PO4)3,-7.726089677,-2.8701934426,0.0642105085,0.0642105085,GGA,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Li-O-P-Ti,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_21f_f_4c:Li-O-P-Ti, expected Li3Ti4(PO21)3 to be Li3Ti2(PO4)3" +mp-757914,Li3Ti2(PO4)3,-7.6908736442,-2.8349774098,0.0994265412,0.0994265412,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Li-O-P-Ti,80.0,A3B12C3D2_cI160_230_c_h_d_a:Li-O-P-Ti +mp-757305,Li2TiP3O10,-7.587353957799999,-2.7485956839,0.1027465208,0.1027465208,GGA,P2_1/c,A2B10C3D_mP64_14_2e_10e_3e_e:Li-O-P-Ti,64.0,"Invalid WP multiplicities - A2B10C3D_mP64_14_3e_35e_5e_e:Li-O-P-Ti, expected Li3Ti(PO7)5 to be Li2TiP3O10" +mp-1197890,Li2Ti2(PO4)3,-7.9833845466,-2.9723844507,0.0022840743,0.0022840743,GGA,Pbcn,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-P-Ti,76.0,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-P-Ti +mp-758037,Li2Ti3P9O28,-7.8531617329,-2.74051106,0.1006463677,0.1006463677,GGA,P-1,A2B28C9D3_aP42_2_i_14i_b4i_di:Li-O-P-Ti,42.0,"Invalid WP multiplicities - A2B28C9D3_aP42_2_i_28i_b8i_di:Li-O-P-Ti, expected Li2Ti3P17O56 to be Li2Ti3P9O28" +mp-676324,Li11TiP5,-4.0060726988,-0.7142988116,0.0291757445,0.0291757445,GGA,Cm,A11B5C_mC34_8_11a_5a_a:Li-P-Ti,17.0,A11B5C_mC34_8_11a_5a_a:Li-P-Ti +mp-559441,LiTiPO5,-8.0277971253,-3.033902007,0.0133625378,0.0097639956,GGA,P-1,AB5CD_aP32_2_2i_10i_2i_2i:Li-O-P-Ti,32.0,"Invalid WP multiplicities - AB5CD_aP32_2_2i_17i_4i_4i:Li-O-P-Ti, expected Li2Ti4P4O17 to be LiTiPO5" +mp-6668,LiTiPO5,-8.0411596631,-3.0472645448,0.0,-0.0035985422,GGA,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-Ti,32.0,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-Ti +mp-695286,Li11Sc7Ti(PO4)12,-7.2368865149,-2.4821825212,0.6283936271,0.6283936271,GGA,P1,A11B48C12D7E_aP79_1_11a_48a_12a_7a_a:Li-O-P-Sc-Ti,79.0,A11B48C12D7E_aP79_1_11a_48a_12a_7a_a:Li-O-P-Sc-Ti +mp-758056,LiTi(PO3)4,-7.7176826739,-2.6722443714,0.1041744693,0.1041744693,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Ti, expected LiTiP7O23 to be LiTi(PO3)4" +mp-758140,LiTi(PO3)4,-7.7335516272,-2.6881133247,0.0883055159,0.0883055159,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Ti, expected LiTiP7O23 to be LiTi(PO3)4" +mp-758240,LiTi(PO3)4,-7.7541315722,-2.7086932697,0.0677255709,0.0677255709,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-Ti, expected LiTiP7O23 to be LiTi(PO3)4" +mp-757639,LiTi(PO3)4,-7.7578826792,-2.7124443767,0.063974464,0.063974464,GGA,C2/m,AB12C4D_mC72_12_i_gi5j_2j_e:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_i_g2i9j_3j_f:Li-O-P-Ti, expected LiTi(P2O7)3 to be LiTi(PO3)4" +mp-757658,LiTi(PO3)4,-7.7208544832,-2.6754161807,0.10100266,0.10100266,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_43e_11e_e:Li-O-P-Ti, expected LiTiP11O43 to be LiTi(PO3)4" +mp-758496,LiTi(PO3)4,-7.7267841514,-2.6813458489,0.0950729918,0.0950729918,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-Ti, expected LiTiP15O47 to be LiTi(PO3)4" +mp-759345,LiTi(PO3)4,-7.721426016,-2.6759877135,0.1004311272,0.1004311272,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_45e_13e_e:Li-O-P-Ti, expected LiTiP13O45 to be LiTi(PO3)4" +mp-765102,LiTi(PO3)4,-7.7534900647,-2.7080517622,0.0683670784,0.0683670784,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_3f_e:Li-O-P-Ti, expected LiTi(PO7)6 to be LiTi(PO3)4" +mp-757996,LiTi(PO3)4,-7.7483597189,-2.7029214164,0.0734974243,0.0734974243,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_5f_e:Li-O-P-Ti, expected LiTi(P5O21)2 to be LiTi(PO3)4" +mp-758447,LiTi(PO3)4,-7.7246957192,-2.6792574167,0.097161424,0.097161424,GGA,C2/c,AB12C4D_mC72_15_a_6f_2f_e:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-Ti, expected LiTi(P5O23)2 to be LiTi(PO3)4" +mp-26409,LiTi(PO3)4,-7.7833050153,-2.7378667128,0.0385521279,0.0385521279,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_18f_5f_c:Li-O-P-Ti, expected LiTi(P5O18)2 to be LiTi(PO3)4" +mp-1176592,LiTi(PO3)4,-7.7796934944,-2.7342551919,0.0421636487,0.0421636487,GGA,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-Ti, expected LiTi(P5O23)2 to be LiTi(PO3)4" +mp-758457,LiTi(PO3)4,-7.7256666526,-2.6802283501,0.0961904905,0.0961904905,GGA,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-Ti, expected Li2Ti2P15O46 to be LiTi(PO3)4" +mp-26113,LiTi(PO3)4,-7.8018221879,-2.7563838854,0.0200349552,0.0200349552,GGA,Pbcn,AB12C4D_oP72_60_c_6d_2d_c:Li-O-P-Ti,72.0,"Invalid WP multiplicities - AB12C4D_oP72_60_c_21d_5d_c:Li-O-P-Ti, expected LiTi(P5O21)2 to be LiTi(PO3)4" +mp-1013762,LiTi2P2O9,-8.2164520916,-2.9988299263,0.049104005,0.049104005,GGA,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Li-O-P-Ti,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Li-O-P-Ti, expected LiTi2P2O11 to be LiTi2P2O9" +mp-778149,Li6Ti3P8O29,-7.6925373102,-2.8686154422,0.0265847701,0.0265847701,GGA,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-Ti,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-Ti +mp-1211475,La4Al51W7,-5.0768357684,-0.214330811,0.0152522718,0.0152522718,GGA,P-3m1,A51B4C7_hP62_164_eh5ij_2d_ai:Al-La-W,62.0,A51B4C7_hP62_164_eh5ij_2d_ai:Al-La-W +mp-1246252,Mg(C4N3)2,-8.3041285857,0.0591096503,0.2716637502,0.2716637502,GGA,Pmna,A8BC6_oP30_53_2hi_a_hi:C-Mg-N,30.0,A8BC6_oP30_53_2hi_a_hi:C-Mg-N +mp-1246239,Mg(C4N3)2,-8.3015328569,0.0617053791,0.2742594789,0.2742594789,GGA,P31m,A8BC6_hP45_157_4c2d_ab_2c2d:C-Mg-N,45.0,A8BC6_hP45_157_4c2d_ab_2c2d:C-Mg-N +mp-1245778,Mg9(FeN4)2,-5.7956922979000005,-0.6359805995000001,0.1372488722,0.1372488722,GGA,C2/m,A2B9C8_mC38_12_i_a4i_4i:Fe-Mg-N,19.0,A2B9C8_mC38_12_i_a4i_4i:Fe-Mg-N +mp-1395522,Mg(FeN)2,-7.029491548,0.013170916,0.4797258746,0.4797258746,GGA,P-4m2,A2BC2_tP5_115_e_b_g:Fe-Mg-N,5.0,A2BC2_tP5_115_e_b_g:Fe-Mg-N +mp-1246244,MgFeN,-6.4403687875,-0.3047700592,0.2630636468,0.2630636468,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Mg-N,12.0,ABC_oP12_62_c_c_c:Fe-Mg-N +mp-1245495,Mg8Fe3N8,-6.1109207742,-0.5896437516,0.1271428408,0.1271428408,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-Mg-N,19.0,A3B8C8_mC38_12_ai_4i_4i:Fe-Mg-N +mp-1246307,Mg11(CN5)2,-5.9517756857,-0.759368695,0.101911114,0.101911114,GGA,P4_2/mnm,A2B11C10_tP46_136_f_ag2i_3fi:C-Mg-N,46.0,A2B11C10_tP46_136_f_ag2i_3fi:C-Mg-N +mp-1245863,Mg(Fe5N4)2,-8.1801364821,-0.12790219,0.1937842478,0.1937842478,GGA,C2/m,A10BC8_mC38_12_5i_a_4i:Fe-Mg-N,19.0,A10BC8_mC38_12_5i_a_4i:Fe-Mg-N +mp-7331,Cs2MgFe(CN)6,-7.7903325875,-0.4620783057,0.0,-0.0630161863,GGA,Fm-3m,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Mg-N,16.0,A6B2CDE6_cF64_225_e_c_a_b_e:C-Cs-Fe-Mg-N +mp-1246592,MgFe5N4,-7.880293585,-0.150657005,0.208656483,0.208656483,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Fe-Mg-N,20.0,A5BC4_oP20_59_ag_b_ef:Fe-Mg-N +mp-1026663,CsMg14C,-1.6769673744,0.3560319109,0.3591339129,0.3591339129,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Cs-Mg, expected CsMg18C to be CsMg14C" +mp-1026565,CsMg14C,-1.5683171181,0.4646821672,0.4677841692,0.4677841692,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Cs-Mg, expected CsMg26C to be CsMg14C" +mp-1016556,CsMg6C,-2.0994721225,0.3662463981,0.3724504021,0.3724504021,GGA,C2,ABC6_mC16_5_a_a_2b2c:C-Cs-Mg,8.0,ABC6_mC16_5_a_a_2b2c:C-Cs-Mg +mp-1098071,CsMg6C,-2.0806132012,0.3851053193,0.3913093234,0.3913093234,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Cs-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Cs-Mg +mp-10553,Mg(C2N3)2,-8.2257274459,-0.1771900305,0.1126564693,0.1126564693,GGA,Pnnm,A4BC6_oP22_58_h_a_gh:C-Mg-N,22.0,"Invalid WP multiplicities - A4BC6_oP22_58_h_a_2gh:C-Mg-N, expected Mg(CN2)4 to be Mg(C2N3)2" +mp-1245565,Mg3FeN3,-6.1218125993,-0.6531917229,0.0763622598,0.0763622598,GGA,P2_1/m,AB3C3_mP14_11_e_3e_3e:Fe-Mg-N,14.0,"Invalid WP multiplicities - AB3C3_mP14_11_e_6e_6e:Fe-Mg-N, expected Mg6FeN6 to be Mg3FeN3" +mp-1246096,Mg3(FeN2)2,-6.6052959578,-0.4845334833,0.1528166893,0.1528166893,GGA,C2/c,A2B3C4_mC36_15_f_ef_2f:Fe-Mg-N,18.0,A2B3C4_mC36_15_f_ef_2f:Fe-Mg-N +mp-36940,Mg(CN)2,-7.583711071,-0.237590894,0.4000714055,0.4000714055,GGA,P4_2nm,A2BC2_tP10_102_c_a_c:C-Mg-N,10.0,A2BC2_tP10_102_c_a_c:C-Mg-N +mp-1245941,CsMgN,-3.7983320825,-0.1876063001,0.3718498985,0.3718498985,GGA,Pnma,ABC_oP12_62_c_c_c:Cs-Mg-N,12.0,ABC_oP12_62_c_c_c:Cs-Mg-N +mp-1245729,Mg4CN4,-6.2176453508,-0.7758936406,0.0758747707,0.0758747707,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:C-Mg-N,36.0,AB4C4_oP36_62_c_4c_4c:C-Mg-N +mp-1189096,MgCN2,-7.1039493069,-0.2284654587,0.5686124156,0.2181411963,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:C-Mg-N,16.0,ABC2_oP16_33_a_a_2a:C-Mg-N +mp-15702,MgCN2,-7.14170581,-0.2662219619,0.5308559125,0.1803846931,GGA,I-42d,ABC2_tI16_122_a_b_d:C-Mg-N,8.0,ABC2_tI16_122_a_b_d:C-Mg-N +mp-9166,MgCN2,-7.6725617225,-0.7970778744,0.0,-0.3504712194,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Mg-N,4.0,ABC2_hR12_166_a_b_c:C-Mg-N +mp-1408987,Mg2FeN2,-6.279555995,-0.610841763,0.0701961367,0.0701961367,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Fe-Mg-N,10.0,AB2C2_mC20_12_i_2i_2i:Fe-Mg-N +mp-1246412,Mg5FeN4,-5.560679329,-0.5789392130000001,0.2093401572,0.2093401572,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Fe-Mg-N,20.0,AB5C4_oP20_59_a_bg_ef:Fe-Mg-N +mp-1191319,Na2Al(P2O7)2,-7.1193801895,-2.4861669323,0.0975893265,0.0975893265,GGA,P-1,AB2C14D4_aP21_2_a_i_7i_2i:Al-Na-O-P,21.0,AB2C14D4_aP21_2_a_i_7i_2i:Al-Na-O-P +mp-2715240,Na3Al2(PO4)3,-7.2354607545,-2.8825157747,0.0089896572,0.0089896572,GGA,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:Al-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_5a_3a_30a_6a:Al-Na-O-P, expected Na3Al5(PO5)6 to be Na3Al2(PO4)3" +mp-2715262,Na3Al2(PO4)3,-7.2356237907,-2.8826788109,0.0088266211,0.0088266211,GGA,Cc,A2B3C12D3_mC240_9_6a_9a_36a_9a:Al-Na-O-P,120.0,"Invalid WP multiplicities - A2B3C12D3_mC240_9_6a_13a_72a_18a:Al-Na-O-P, expected Na13Al6(PO4)18 to be Na3Al2(PO4)3" +mp-1020161,Na3Al2(PO4)3,-7.2091662484,-2.8562212686,0.0352841633,0.0352841633,GGA,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Al-Na-O-P,80.0,A2B3C12D3_cI160_230_a_c_h_d:Al-Na-O-P +mp-1200599,NaAl3(PO7)2,-6.7551073796,-2.1231323919,0.3687937734,0.3687937734,GGA,P4_12_12,A3BC14D2_tP80_92_ab_a_7b_b:Al-Na-O-P,80.0,A3BC14D2_tP80_92_ab_a_7b_b:Al-Na-O-P +mp-16777,NaAlP2O7,-7.4949724366,-2.9021063352,0.0014047695,0.0014047695,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Al-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Al-Na-O-P +mp-1020724,Na7Al4P9O32,-7.3019804834,-2.8547931431,0.0014486817,0.0014486817,GGA,P-42_1c,A4B7C32D9_tP104_114_e_ade_8e_b2e:Al-Na-O-P,104.0,A4B7C32D9_tP104_114_e_ade_8e_b2e:Al-Na-O-P +mp-560459,Rb3Al2(PO4)3,-7.2353789145,-2.9337326179,0.0,-0.0618057855,GGA,Cmc2_1,A2B12C3D3_oC80_36_b_2a5b_ab_ab:Al-O-P-Rb,40.0,"Invalid WP multiplicities - A2B12C3D3_oC80_36_b_4a16b_a2b_2a2b:Al-O-P-Rb, expected Rb6Al2P5O36 to be Rb3Al2(PO4)3" +mp-14389,Na3AlP8O23,-7.3975266285,-2.689143425,0.0,-0.0132142312,GGA,P4_132,AB3C23D8_cP140_213_a_d_cd3e_ce:Al-Na-O-P,140.0,"Invalid WP multiplicities - AB3C23D8_cP140_213_a_d_c3d5e_ce:Al-Na-O-P, expected Na3AlP8O41 to be Na3AlP8O23" +mp-555621,RbAl3(P3O10)2,-7.7205343518,-2.9328393242,0.0,-0.0057835139,GGA,C222_1,A3B20C6D_oC120_20_a2b_10c_3c_a:Al-O-P-Rb,60.0,"Invalid WP multiplicities - A3B20C6D_oC120_20_2a3b_35c_8c_a:Al-O-P-Rb, expected RbAl5(P8O35)2 to be RbAl3(P3O10)2" +mp-559610,Rb2NaAl2(PO4)3,-7.2451467357,-2.9264008781,0.0,-0.0067317081,GGA,P2_1/c,A2BC12D3E2_mP80_14_2e_e_12e_3e_2e:Al-Na-O-P-Rb,80.0,"Invalid WP multiplicities - A2BC12D3E2_mP80_14_4e_e_43e_8e_6e:Al-Na-O-P-Rb, expected Rb6NaAl4P8O43 to be Rb2NaAl2(PO4)3" +mp-775992,TiNi3Sb2(PO4)6,-7.4545768386,-2.3241810429,0.0967697036,0.0967697036,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Ni-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_22b_2b_2a_a:Ni-O-P-Sb-Ti, expected TiNi3Sb2(PO11)6 to be TiNi3Sb2(PO4)6" +mp-1101388,Ti3NiSb2(PO4)6,-7.8956031183,-2.6476875817,0.0849082509,0.0849082509,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Ni-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Ni-O-P-Sb-Ti, expected Ti3NiSb2(P3O22)3 to be Ti3NiSb2(PO4)6" +mp-1202812,VCu13As3S16,-4.8465949452,-0.5273784038,0.0137363235,0.0137363235,GGA,P-43n,A3B13C16D_cP66_218_c_def_ei_a:As-Cu-S-V,66.0,A3B13C16D_cP66_218_c_def_ei_a:As-Cu-S-V +mp-1216456,VCu12As3S16,-4.8680415638,-0.5419497139,0.0072030536,0.0072030536,GGA,R3c,A3B12C16D_hR192_161_b_4b_a5b_a:As-Cu-S-V,64.0,"Invalid WP multiplicities - A3B12C16D_hR192_161_b_10b_2a18b_a:As-Cu-S-V, expected VCu30As3S56 to be VCu12As3S16" +mp-1216515,VCu13Sn(AsS8)2,-4.8648025883,-0.5652692758,0.0,-0.0002677607,GGA,Cc,A2B13C16DE_mC132_9_2a_13a_16a_a_a:As-Cu-S-Sn-V,66.0,"Invalid WP multiplicities - A2B13C16DE_mC132_9_4a_25a_32a_a_a:As-Cu-S-Sn-V, expected VCu25Sn(AsS8)4 to be VCu13Sn(AsS8)2" +mp-720486,VCu13Sn(AsS8)2,-4.8646267198,-0.5650934072,0.0001758686,-9.18921e-05,GGA,P222_1,A2B13C16DE_oP132_17_ace_2b2d11e_16e_ac_bd:As-Cu-S-Sn-V,132.0,"Invalid WP multiplicities - A2B13C16DE_oP132_17_2a2ce_4b4d34e_55e_2ac_bd:As-Cu-S-Sn-V, expected V2Cu76Sn3(As3S55)2 to be VCu13Sn(AsS8)2" +mp-1216428,VCu12Sn(AsS8)2,-4.8542476631,-0.5484541430000001,0.0253318745,0.0253318745,GGA,I-42m,A2B12C16DE_tI64_121_c_ij_2ij_a_b:As-Cu-S-Sn-V,32.0,"Invalid WP multiplicities - A2B12C16DE_tI64_121_c_4i4j_5i4j_a_b:As-Cu-S-Sn-V, expected VCu48Sn(AsS26)2 to be VCu12Sn(AsS8)2" +mp-1216370,VCuSnS4,-5.6671332471,-0.8473498096000001,0.0550657155,0.0550657155,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Cu-S-Sn-V,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_2h2i_a_c:Cu-S-Sn-V, expected VCuSnS8 to be VCuSnS4" +mp-1190633,Yb2CoTe2(SO7)2,-6.5945679362,-2.1183447061,0.0,-0.0499413985,GGA+U,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Te-Yb,,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Te-Yb +mp-976402,NaZnAs(H2O3)2,-5.4728365492,-1.5888039526000002,0.0456635305,0.0456635305,GGA,P-1,AB4CD6E_aP26_2_i_4i_ae_6i_i:As-H-Na-O-Zn,26.0,"Invalid WP multiplicities - AB4CD6E_aP26_2_i_7i_ae_11i_i:As-H-Na-O-Zn, expected NaZnAsH7O11 to be NaZnAs(H2O3)2" +mp-1193488,NaZnAs(H2O3)2,-5.4226325338,-1.5385999372,0.0958675459,0.0958675459,GGA,P-1,AB4CD6E_aP26_2_i_4i_ae_6i_i:As-H-Na-O-Zn,26.0,AB4CD6E_aP26_2_i_4i_ae_6i_i:As-H-Na-O-Zn +mp-850445,Na3Zn4As3H12O19,-5.4682535546,-1.6223095647,0.0200671241,0.0200671241,GGA,R3c,A3B12C3D19E4_hR246_161_b_4b_b_a6b_ab:As-H-Na-O-Zn,82.0,"Invalid WP multiplicities - A3B12C3D19E4_hR246_161_b_20b_b_a30b_a2b:As-H-Na-O-Zn, expected Na3Zn7As3H60O91 to be Na3Zn4As3H12O19" +mp-758925,Na6Zn3As4H6O19,-5.6076327326,-1.7998880486000002,0.0062503728,0.0062503728,GGA,P2_13,A4B6C6D19E3_cP152_198_4a_2b_2b_4a5b_b:As-H-Na-O-Zn,152.0,"Invalid WP multiplicities - A4B6C6D19E3_cP152_198_13a_13b_17b_16a53b_b:As-H-Na-O-Zn, expected Na51Zn3As13H39O175 to be Na6Zn3As4H6O19" +mp-1236043,LiGa4(WO6)2,-7.4064585579,-2.1802568762,0.0772871839,0.0772871839,GGA+U,P2,A4BC12D2_mP19_3_2b2c_a_6e_bc:Ga-Li-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_mP19_3_2a2b_c_12e_ab:Ga-Li-O-W, expected LiGa4(WO12)2 to be LiGa4(WO6)2" +mp-1235129,LiGa4(WO6)2,-7.2977708042,-2.0715691225,0.1859749376,0.1859749376,GGA+U,Amm2,A4BC12D2_oC38_38_2c_a_2b2cdf_ab:Ga-Li-O-W,19.0,"Invalid WP multiplicities - A4BC12D2_oC38_38_2c_a_2b2c2df_ab:Ga-Li-O-W, expected LiGa4(WO7)2 to be LiGa4(WO6)2" +mp-17510,LiGa(WO4)2,-8.1022266904,-2.2333276038,0.0246074627,0.0246074627,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Ga-Li-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mP24_13_e_f_9g_g:Ga-Li-O-W, expected LiGa(WO9)2 to be LiGa(WO4)2" +mp-1203872,Na2Cu2(B4O7)3,-7.8729966227,-2.6060607278,0.0061714587,0.0061714587,GGA,C2/c,A12B2C2D21_mC148_15_6f_f_f_e10f:B-Cu-Na-O,74.0,A12B2C2D21_mC148_15_6f_f_f_e10f:B-Cu-Na-O +mp-772722,Na3CuBAsO7,-6.0837345942,-1.9274181554,0.0564855039,0.0564855039,GGA,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Cu-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-B-Cu-Na-O, expected Na4CuBAsO13 to be Na3CuBAsO7" +mp-667344,Rb3Nb5P2O19,-8.3827738557,-2.9254697886,0.0,-0.04174123,GGA,R-3c,A5B19C2D3_hR522_167_bc2f_e9f_f_ef:Nb-O-P-Rb,174.0,"Invalid WP multiplicities - A5B19C2D3_hR522_167_2b4c10f_6e97f_f_6e6f:Nb-O-P-Rb, expected Rb27Nb35(PO100)3 to be Rb3Nb5P2O19" +mp-17679,RbNb(PO4)2,-7.9489440152,-2.8254478639,0.0007514984,0.0007514984,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Nb-O-P-Rb,48.0,AB8C2D_mP48_14_e_8e_2e_e:Nb-O-P-Rb +mp-1219682,RbNb3(PO5)3,-8.4310117226,-2.8980713871,0.0,-0.0146260298,GGA,P2_1/c,A3B15C3D_mP88_14_3e_ac14e_3e_e:Nb-O-P-Rb,88.0,"Invalid WP multiplicities - A3B15C3D_mP88_14_3e_ac23e_3e_e:Nb-O-P-Rb, expected RbNb3(PO8)3 to be RbNb3(PO5)3" +mp-677731,Rb2NaNb6(PO8)3,-8.4610725175,-2.9374097323,0.0,-0.0177291645,GGA,C2,AB6C24D3E2_mC72_5_a_3c_ab11c_ac_c:Na-Nb-O-P-Rb,36.0,"Invalid WP multiplicities - AB6C24D3E2_mC72_5_a_4c_ab20c_ac_c:Na-Nb-O-P-Rb, expected Rb2NaNb8(PO14)3 to be Rb2NaNb6(PO8)3" +mp-1218483,Sr4ZnCu(WO6)2,-7.4418887945,-2.5722163401,0.027235572,0.027235572,GGA+U,P4/m,AB12C4D2E_tP20_83_a_ghjk_i_bc_d:Cu-O-Sr-W-Zn,20.0,"Invalid WP multiplicities - AB12C4D2E_tP20_83_a_g2h3j3k_i_bc_d:Cu-O-Sr-W-Zn, expected Sr4ZnCu(WO15)2 to be Sr4ZnCu(WO6)2" +mp-768606,Li2MnSiCO7,-7.5137623533,-2.3253735594,0.0676909494,0.0676909494,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-Si,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-Si +mp-772668,Li3MnSiCO7,-7.3673103154,-2.4311881313,0.04134151,0.04134151,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Mn-O-Si,26.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Mn-O-Si +mp-603276,NaSr7Cu8(SF)8,-5.1763650412,-2.2286755568,0.0066108514,0.0066108514,GGA,P4mm,A8B8CD8E7_tP32_99_ef_ef_a_abcd_bcd:Cu-F-Na-S-Sr,32.0,"Invalid WP multiplicities - A8B8CD8E7_tP32_99_3e3f_2e3f_a_ab2c3d_b2c3d:Cu-F-Na-S-Sr, expected NaSr17Cu24(S9F10)2 to be NaSr7Cu8(SF)8" +mp-1208929,Sr2CuS2F,-3.98394377,-1.0401817237,1.2941517092,1.2941517092,GGA,P4/mmm,ABC2D2_tP6_123_a_b_g_g:Cu-F-S-Sr,6.0,ABC2D2_tP6_123_a_b_g_g:Cu-F-S-Sr +mp-12444,SrCuSF,-5.2631243687,-2.3039671293,0.0,-0.0035393921,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-F-S-Sr,8.0,ABCD_tP8_129_a_b_c_c:Cu-F-S-Sr +mp-559716,FeS4N4Cl5,-5.1377140882,-0.308822397,0.1905460671,0.1905460671,GGA,P-1,A5BC4D4_aP28_2_5i_i_4i_4i:Cl-Fe-N-S,28.0,"Invalid WP multiplicities - A5BC4D4_aP28_2_8i_i_6i_7i:Cl-Fe-N-S, expected FeS7(N3Cl4)2 to be FeS4N4Cl5" +mp-554079,FeS3N2Cl5,-4.7887295995,-0.5346346940000001,0.0920349855,0.0920349855,GGA,P2_1/c,A5BC2D3_mP44_14_5e_e_2e_3e:Cl-Fe-N-S,44.0,"Invalid WP multiplicities - A5BC2D3_mP44_14_16e_e_5e_8e:Cl-Fe-N-S, expected FeS8N5Cl16 to be FeS3N2Cl5" +mp-1245513,Fe4Te3N2,-6.8044486081,-0.1396716781,0.2312651621,0.2312651621,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Fe-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Fe-N-Te +mp-638705,FeTeS2N2Cl5,-4.7545288459,-0.5907197562000001,0.2370729466,0.2370729466,GGA,P2_1/c,A5BC2D2E_mP44_14_5e_e_2e_2e_e:Cl-Fe-N-S-Te,44.0,"Invalid WP multiplicities - A5BC2D2E_mP44_14_16e_e_6e_7e_e:Cl-Fe-N-S-Te, expected FeTeS7(N3Cl8)2 to be FeTeS2N2Cl5" +mp-1203609,FeS4(NCl)4,-5.2938965833000005,-0.2357468127,0.2366307971,0.2366307971,GGA,P2_1/c,A4BC4D4_mP52_14_4e_e_4e_4e:Cl-Fe-N-S,52.0,A4BC4D4_mP52_14_4e_e_4e_4e:Cl-Fe-N-S +mp-557331,FeS4N4Cl3,-5.5140799729,-0.1884624431,0.2524258367,0.2524258367,GGA,P2_1/c,A3BC4D4_mP48_14_3e_e_4e_4e:Cl-Fe-N-S,48.0,"Invalid WP multiplicities - A3BC4D4_mP48_14_8e_e_11e_13e:Cl-Fe-N-S, expected FeS13N11Cl8 to be FeS4N4Cl3" +mp-557085,FeS4N4Cl3,-5.5134271104,-0.1878095806,0.2530786992,0.2530786992,GGA,P2_1/c,A3BC4D4_mP48_14_3e_e_4e_4e:Cl-Fe-N-S,48.0,"Invalid WP multiplicities - A3BC4D4_mP48_14_8e_e_11e_9e:Cl-Fe-N-S, expected FeS9N11Cl8 to be FeS4N4Cl3" +mp-556297,FeS3(NCl2)2,-4.9771840371,-0.4825333071,0.1217783834,0.1217783834,GGA,P2_1/c,A4BC2D3_mP80_14_8e_2e_4e_6e:Cl-Fe-N-S,80.0,"Invalid WP multiplicities - A4BC2D3_mP80_14_30e_5e_12e_18e:Cl-Fe-N-S, expected Fe5S18(N2Cl5)6 to be FeS3(NCl2)2" +mp-1225021,Fe4Te3S,-6.2776208775,-0.3468143291,0.1025366397,0.1025366397,GGA,Amm2,A4BC3_oC16_38_2bd_a_ae:Fe-S-Te,8.0,A4BC3_oC16_38_2bd_a_ae:Fe-S-Te +mp-1225166,Fe4Te3S,-6.3101776212,-0.3793710729,0.0699798959,0.0699798959,GGA,P4mm,A4BC3_tP8_99_2c_a_a2b:Fe-S-Te,8.0,"Invalid WP multiplicities - A4BC3_tP8_99_4c_a_a2b:Fe-S-Te, expected Fe8Te3S to be Fe4Te3S" +mp-1025439,CsCuC2,-5.5889302363,0.2740547705,0.2988707866,0.2988707866,GGA,P4_2/mmc,A2BC_tP8_131_j_f_a:C-Cs-Cu,8.0,A2BC_tP8_131_j_f_a:C-Cs-Cu +mp-1192822,CsCuAg2(CN)4,-6.6746680883,0.0686954716,0.2080708676,0.2080708676,GGA,P2/c,A2B4CDE4_mP24_13_ae_2g_f_f_2g:Ag-C-Cs-Cu-N,24.0,A2B4CDE4_mP24_13_af_2g_e_e_2g:Ag-C-Cs-Cu-N +mp-10101,CsAgC2,-5.1868296438,0.3594926964,0.3843087125,0.3843087125,GGA,P4_2/mmc,AB2C_tP8_131_a_j_f:Ag-C-Cs,8.0,AB2C_tP8_131_a_j_f:Ag-C-Cs +mp-1213777,Cs2Cu3C3N7,-6.7674377660000005,-0.0921120522,0.1308885815,0.1308885815,GGA,C2/c,A3B2C3D7_mC60_15_ef_f_ef_e3f:C-Cs-Cu-N,30.0,A3B2C3D7_mC60_15_ef_f_ef_e3f:C-Cs-Cu-N +mp-1048551,YNi3Se2ClO8,-6.5014295543,-1.6867128571,0.0504596233,0.0504596233,GGA+U,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Ni-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Ni-O-Se-Y, expected YNi5Se2ClO22 to be YNi3Se2ClO8" +mp-756167,V4CuNiO12,-7.9053948183,-2.0401041425,0.0105873869,0.0105873869,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cu-Ni-O-V,36.0,ABC12D4_mC36_5_a_b_6c_2c:Cu-Ni-O-V +mp-1275560,V2Cu3NiO6,-7.1156656629,-1.6218572381,0.0,-0.0111172912,GGA+U,C2,A3BC6D2_mC24_5_3b_a_3c_2a:Cu-Ni-O-V,24.0,"Invalid WP multiplicities - A3BC6D2_mC24_5_6b_a_4c_2a:Cu-Ni-O-V, expected V2Cu6NiO8 to be V2Cu3NiO6" +mp-1216705,V2Cu3NiO6,-7.1138391329,-1.6200307081,0.00182653,-0.0092907612,GGA+U,C2/m,A3BC6D2_mC48_12_ij_ad_2i2j_gh:Cu-Ni-O-V,24.0,"Invalid WP multiplicities - A3BC6D2_mC48_12_ij_ac_4i6j_2g2h:Cu-Ni-O-V, expected V4Cu3NiO16 to be V2Cu3NiO6" +mp-1177805,Li2V4CuNiO12,-7.5731486865,-2.1034947916,0.0845416808,0.0845416808,GGA+U,C2,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Cu-Li-Ni-O-V,20.0,"Invalid WP multiplicities - AB2CD12E4_mC40_5_a_ab_b_12c_4c:Cu-Li-Ni-O-V, expected Li2V8CuNiO24 to be Li2V4CuNiO12" +mp-1235646,LiHo2Ag2(WO4)4,-8.2188559568,-2.3101202403,0.1142547595,0.1142547595,GGA+U,C2/m,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Ho-Li-O-W,25.0,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Ho-Li-O-W +mp-1212201,HoAg(WO4)2,-8.4552130713,-2.379818486,0.0020856016,0.0020856016,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Ho-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:Ag-Ho-O-W +mp-677010,YbTi2CdO6F,-7.5635604514,-3.0321883324,0.1213029062,0.1213029062,GGA,Imma,ABC6D2E_oI44_74_a_e_2ej_bc_d:Cd-F-O-Ti-Yb,,"Invalid WP multiplicities - ABC6D2E_oI44_74_a_e_4e4j_bc_d:Cd-F-O-Ti-Yb, expected YbTi2CdO20F to be YbTi2CdO6F" +mp-1215761,YbTi2O5F,-8.3028703419,-3.4167020267,0.1163668856,0.1163668856,GGA,P2_12_12,AB5C2D_oP36_18_c_5c_2c_ab:F-O-Ti-Yb,,AB5C2D_oP36_18_c_5c_2c_ab:F-O-Ti-Yb +mp-1187568,YbCdO3,-4.994672274,-1.5341594392,0.4641193022,0.4641193022,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-O-Yb,,AB3C_cP5_221_b_c_a:Cd-O-Yb +mp-1046275,Sr2YCu2SbO7,-6.7282181554000005,-2.359010957,0.1751101285,0.1751101285,GGA,Ima2,A2B7CD2E_oI52_46_c_b3c_b_c_a:Cu-O-Sb-Sr-Y,26.0,A2B7CD2E_oI52_46_c_b3c_b_c_a:Cu-O-Sb-Sr-Y +mp-1520798,BaSrEuWO6,-8.6010847255,-2.9507114564,0.0163537444,0.0163537444,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-Sr-W, expected BaSrEuWO12 to be BaSrEuWO6" +mp-1518619,BaSrEuWO6,-8.0847058055,-2.4343325364,0.5327326644,0.5327326644,GGA+U,P-1,ABC6DE_aP20_2_i_ah_6i_i_be:Ba-Eu-O-Sr-W,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_ah_12i_i_be:Ba-Eu-O-Sr-W, expected BaSrEuWO12 to be BaSrEuWO6" +mp-1518836,BaSrEuWO6,-8.6158756468,-2.9655023777,0.0015628232,0.0015628232,GGA+U,P222,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Eu-O-Sr-W,40.0,ABC6DE_oP40_16_abch_u_6u_defg_u:Ba-Eu-O-Sr-W +mp-1520714,BaSrEuWO6,-8.5791160655,-2.9287427964,0.0383224044,0.0383224044,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Eu-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Eu-O-Sr-W, expected BaSrEu2WO12 to be BaSrEuWO6" +mp-1520763,BaSrEuWO6,-8.5693299915,-2.9189567224,0.0481084784,0.0481084784,GGA+U,P42_12,ABC6DE_tP20_90_a_b_2cg_c_c:Ba-Eu-O-Sr-W,20.0,ABC6DE_tP20_90_a_b_2cg_c_c:Ba-Eu-O-Sr-W +mp-1518829,BaSrEuWO6,-8.6100912825,-2.9597180134,0.0073471874,0.0073471874,GGA+U,P-4n2,ABC6DE_tP20_118_c_a_ei_d_b:Ba-Eu-O-Sr-W,20.0,ABC6DE_tP20_118_c_a_ei_d_b:Ba-Eu-O-Sr-W +mp-1520810,BaSrEuWO6,-8.51411959,-2.8637463209,0.1033188799,0.1033188799,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sr-W +mp-1518601,BaSrEuWO6,-8.571664251,-2.9212909819,0.0457742189,0.0457742189,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Eu-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Eu-O-Sr-W +mp-995215,CsSrSiHO4,-6.5687078231000005,-2.6699959799,0.063036947,0.063036947,GGA,P2_1,ABC4DE_mP16_4_a_a_4a_a_a:Cs-H-O-Si-Sr,16.0,ABC4DE_mP16_4_a_a_4a_a_a:Cs-H-O-Si-Sr +mp-1259697,CsSrSiHO4,-6.5992401719,-2.7005283287,0.0325045982,0.0325045982,GGA,P2_1,ABC4DE_mP16_4_a_a_4a_a_a:Cs-H-O-Si-Sr,16.0,ABC4DE_mP16_4_a_a_4a_a_a:Cs-H-O-Si-Sr +mp-694868,Rb2ZrFe(PO4)3,-7.6075172408,-2.6296771334,0.1525677046,0.1525677046,GGA+U,P2_13,AB12C3D2E_cP76_198_a_4b_b_2a_a:Fe-O-P-Rb-Zr,76.0,"Invalid WP multiplicities - AB12C3D2E_cP76_198_a_41b_b_5a_a:Fe-O-P-Rb-Zr, expected Rb5ZrFe(PO41)3 to be Rb2ZrFe(PO4)3" +mp-1445639,La2ZnWO6,-8.243953619,-2.8669515872,0.1257720826,0.1257720826,GGA+U,R-3,A2B6CD_hR30_148_c_f_a_b:La-O-W-Zn,10.0,A2B6CD_hR30_148_c_f_a_b:La-O-W-Zn +mp-1282430,Zn2CrWO6,-7.491310822,-2.0102311032,0.075492803,0.075492803,GGA+U,P1,AB6CD2_aP20_1_2a_12a_2a_4a:Cr-O-W-Zn,20.0,AB6CD2_aP20_1_2a_12a_2a_4a:Cr-O-W-Zn +mp-1277741,Zn2CrWO6,-7.4757097815,-1.9946300627,0.0910938435,0.0910938435,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Cr-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_b_e:Cr-O-W-Zn +mp-1041661,Zn2CrWO6,-7.4915035815,-2.0104238627,0.0753000435,0.0753000435,GGA+U,R3,AB6CD2_hR30_146_a_2b_a_2a:Cr-O-W-Zn,20.0,AB6CD2_hR30_146_a_2b_a_2a:Cr-O-W-Zn +mp-1520359,LaZnCrWO6,-8.040393845,-2.1916877767,0.4243418521,0.4243418521,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Cr-La-O-W-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Cr-La-O-W-Zn +mp-1518622,KPrZr2O6,-8.646920805,-3.3802369821,0.1500286971,0.1500286971,GGA,Fm-3m,AB6CD2_cF40_225_a_d_b_c:K-O-Pr-Zr,10.0,AB6CD2_cF40_225_a_d_b_c:K-O-Pr-Zr +mp-1518487,KPrHfZrO6,-8.877204678,-3.469572015,0.1218906315,0.1218906315,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-Zr,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-Zr +mp-1518844,KPrZr4O12,-8.5601325244,-3.0355563157,0.2075029416,0.2075029416,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Pr-Zr,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Pr-Zr, expected KPrZr4O18 to be KPrZr4O12" +mp-774843,Li4V3Co3(SnO8)2,-7.2033288021,-2.0826671539,0.0882382971,0.0882382971,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Sn-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Sn-V +mp-778338,Li4V2Co3Sn3O16,-6.9229595889,-1.9835241626,0.1304415577,0.1304415577,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-Sn-V,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Co-Li-O-Sn-V, expected Li4V2Co3Sn3O20 to be Li4V2Co3Sn3O16" +mp-21469,VCo2Sn,-6.91967686,-0.0921484812,0.0542419087,0.0542419087,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Co-Sn-V,4.0,A2BC_cF16_225_c_a_b:Co-Sn-V +mp-1018119,VCoSn,-6.2772468733,0.4566850333,0.5923536824,0.5923536824,GGA,F-43m,ABC_cF12_216_a_b_c:Co-Sn-V,3.0,ABC_cF12_216_a_b_c:Co-Sn-V +mp-778284,Li4V3Co2Sn3O16,-7.1480816036,-2.1380894532,0.0992452517,0.0992452517,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Sn-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Co-Li-O-Sn-V +mp-1518469,SrTbEuWO6,-8.921732052,-2.9998196669,0.1443129509,0.1443129509,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Tb-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-Tb-W +mp-1232354,SrNb2CuO6F,-8.1342192082,-2.8994081683,0.0564238744,0.0564238744,GGA,I-4m2,ABC2D6E_tI22_119_c_a_e_e2f_b:Cu-F-Nb-O-Sr,11.0,"Invalid WP multiplicities - ABC2D6E_tI22_119_c_a_e_2e2f_b:Cu-F-Nb-O-Sr, expected SrNb2CuO8F to be SrNb2CuO6F" +mp-545525,NbCuO3F,-7.55579133,-2.3971151948,0.0299148183,0.0299148183,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:Cu-F-Nb-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:Cu-F-Nb-O, expected NbCuO5F to be NbCuO3F" +mp-1518915,BaCeEuWO6,-9.165251766,-3.0905189267,0.0453055467,0.0453055467,GGA+U,P-1,ABCD6E_aP20_2_i_ah_i_6i_be:Ba-Ce-Eu-O-W,20.0,"Invalid WP multiplicities - ABCD6E_aP20_2_i_ah_i_12i_be:Ba-Ce-Eu-O-W, expected BaCeEuWO12 to be BaCeEuWO6" +mp-1519155,BaCeEuWO6,-4.2383764212,1.836356418,4.9721808914,4.9721808914,GGA+U,P222,ABCD6E_oP40_16_abcf_u_degh_6u_u:Ba-Ce-Eu-O-W,40.0,ABCD6E_oP40_16_abcf_u_degh_6u_u:Ba-Ce-Eu-O-W +mp-1519018,BaCeEuWO6,-9.050873684,-2.9761408447,0.1596836287,0.1596836287,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Eu-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-Eu-O-W +mp-1520203,CeEu2WO6,-9.9268754833,-3.018339958,0.1002205997,0.1002205997,GGA+U,Pn-3,AB2C6D_cP40_201_b_ad_h_c:Ce-Eu-O-W,40.0,AB2C6D_cP40_201_b_ad_h_c:Ce-Eu-O-W +mp-1520367,CeEu2WO6,-9.831095914,-2.9225603888,0.196000169,0.196000169,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Ce-Eu-O-W +mp-776055,Fe3Cu2Sb(PO4)6,-7.4380291622,-2.18975632,0.0533647931,0.0533647931,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Fe-O-P-Sb, expected Fe3Cu2Sb(PO11)6 to be Fe3Cu2Sb(PO4)6" +mp-1223721,La12Ga23WO56,-7.3688536291,-2.816125457,0.0164501413,0.0164501413,GGA+U,P1,A23B12C56D_aP92_1_23a_12a_56a_a:Ga-La-O-W,92.0,A23B12C56D_aP92_1_23a_12a_56a_a:Ga-La-O-W +mp-745154,MnZn2Si(HO3)2,-6.4234005183,-1.9590334434,0.1317538502,0.1317538502,GGA+U,P2_1/c,A2BC6DE2_mP48_14_2e_e_6e_e_2e:H-Mn-O-Si-Zn,48.0,A2BC6DE2_mP48_14_2e_e_6e_e_2e:H-Mn-O-Si-Zn +mp-1181196,MnZn2Si(HO3)2,-6.5470876485,-2.0827205736,0.00806672,0.00806672,GGA+U,P2_1/c,A2BC6DE2_mP48_14_2e_e_6e_e_2e:H-Mn-O-Si-Zn,48.0,A2BC6DE2_mP48_14_2e_e_6e_e_2e:H-Mn-O-Si-Zn +mp-1044222,CaTiCo(PO4)3,-7.9136335878,-2.7686568241,0.0433306428,0.0433306428,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Co-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Co-O-P-Ti, expected CaTiCo(PO18)3 to be CaTiCo(PO4)3" +mp-695365,LiAl3Si9(N7O)2,-8.0421041017,-1.539420688,0.0460932875,0.0460932875,GGA,P1,A3BC14D2E9_aP29_1_3a_a_14a_2a_9a:Al-Li-N-O-Si,29.0,A3BC14D2E9_aP29_1_3a_a_14a_2a_9a:Al-Li-N-O-Si +mp-1196501,Al2Si3(NO5)2,-7.2854440079,-1.996797966,0.8174285331000001,0.8174285331000001,GGA,Fdd2,A2B2C10D3_oF136_43_b_b_5b_ab:Al-N-O-Si,34.0,A2B2C10D3_oF136_43_b_b_5b_ab:Al-N-O-Si +mp-699599,LiCa9Co(PO4)7,-7.5854557388,-3.1622374553,0.0248317729,0.0248317729,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Co-Li-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_13b_a_a_2a51b_2a7b:Ca-Co-Li-O-P, expected LiCa39CoP23O155 to be LiCa9Co(PO4)7" +mp-1202842,K2BeSi4O13,-6.9114318313,-2.313010025,0.3236395759,0.3236395759,GGA,C222_1,AB2C13D4_oC80_20_a_ab_b6c_2c:Be-K-O-Si,40.0,AB2C13D4_oC80_20_a_ab_b6c_2c:Be-K-O-Si +mp-557472,K2Be2(SiO3)3,-7.4781393234,-3.0721533162,0.0,-0.0232364625,GGA,P2_1/c,A2B2C9D3_mP64_14_2e_2e_9e_3e:Be-K-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_mP64_14_4e_4e_33e_9e:Be-K-O-Si, expected K4Be4(Si3O11)3 to be K2Be2(SiO3)3" +mp-557802,K2Be(Si2O5)2,-7.6389036476,-3.101940707,0.0,-0.0130573416,GGA,P2_1/c,AB2C10D4_mP68_14_e_2e_10e_4e:Be-K-O-Si,68.0,"Invalid WP multiplicities - AB2C10D4_mP68_14_e_6e_35e_12e:Be-K-O-Si, expected K6BeSi12O35 to be K2Be(Si2O5)2" +mp-559127,K2Zn2Si8O19,-7.5791318794,-2.9942959159,0.0063572036,0.0063572036,GGA,C2,A2B19C8D2_mC62_5_c_a9c_4c_c:K-O-Si-Zn,31.0,"Invalid WP multiplicities - A2B19C8D2_mC62_5_c_a17c_8c_c:K-O-Si-Zn, expected K2Zn2Si16O35 to be K2Zn2Si8O19" +mp-754587,K2Be2O3,-5.8920222343,-2.3863522689,0.0362478339,0.0362478339,GGA,P2_1/c,A2B2C3_mP14_14_e_e_ae:Be-K-O,14.0,A2B2C3_mP14_14_e_e_ae:Be-K-O +mp-973396,KBeO3,-5.136239456,-1.1982638669,0.635952091,0.635952091,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Be-K-O,5.0,ABC3_cP5_221_b_a_c:Be-K-O +mp-1224204,K2ZnSi3O8,-7.0808648414,-2.8430073211,0.0236609433,0.0236609433,GGA,P1,A2B8C3D_aP14_1_2a_8a_3a_a:K-O-Si-Zn,14.0,A2B8C3D_aP14_1_2a_8a_3a_a:K-O-Si-Zn +mp-27915,K2BeO2,-5.2799489895,-2.1092313532,0.0,-0.0122803202,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Be-K-O,20.0,"Invalid WP multiplicities - AB2C2_mP20_14_e_2e_4e:Be-K-O, expected K2BeO4 to be K2BeO2" +mp-561549,K2Be2(Si2O5)3,-7.8063091698,-3.1482346709,0.0,-0.0055649964,GGA,Cmc2_1,A2B2C15D6_oC100_36_b_2a_5a5b_2a2b:Be-K-O-Si,50.0,"Invalid WP multiplicities - A2B2C15D6_oC100_36_b_3a_10a16b_4a6b:Be-K-O-Si, expected K3Be2(Si8O21)2 to be K2Be2(Si2O5)3" +mp-28158,K4Be3O5,-5.6752246233,-2.3091181284,0.0,-0.0341766758,GGA,C2/c,A3B4C5_mC48_15_3e_2f_e2f:Be-K-O,24.0,A3B4C5_mC48_15_3e_2f_e2f:Be-K-O +mp-557516,K2Be2Zn2Si3O11,-6.958147728,-2.8127156901,0.0033140148,0.0033140148,GGA,Imma,A2B2C11D3E2_oI80_74_f_2e_e2hij_eh_g:Be-K-O-Si-Zn,40.0,"Invalid WP multiplicities - A2B2C11D3E2_oI80_74_f_4e_2e6h3i4j_e2h_g:Be-K-O-Si-Zn, expected K4Be2Zn2Si5O36 to be K2Be2Zn2Si3O11" +mp-541537,K2ZnSiO4,-6.0584612953,-2.4718844979,0.0,-0.0172395144,GGA,Pca2_1,A2B4CD_oP64_29_4a_8a_2a_2a:K-O-Si-Zn,64.0,A2B4CD_oP64_29_4a_8a_2a_2a:K-O-Si-Zn +mp-555568,K2Zn(Si2O5)2,-7.3404196401,-2.9493195968,0.0,-0.0214248904,GGA,P2_12_12_1,A2B10C4D_oP68_19_2a_10a_4a_a:K-O-Si-Zn,68.0,"Invalid WP multiplicities - A2B10C4D_oP68_19_2a_40a_13a_a:K-O-Si-Zn, expected K2ZnSi13O40 to be K2Zn(Si2O5)2" +mp-555318,K2Zn(SiO3)2,-6.7399625536,-2.7389343871,0.0,-0.0210984746,GGA,C222_1,A2B6C2D_oC44_20_c_ab2c_c_a:K-O-Si-Zn,22.0,"Invalid WP multiplicities - A2B6C2D_oC44_20_c_2a2b5c_c_a:K-O-Si-Zn, expected K2Zn(SiO7)2 to be K2Zn(SiO3)2" +mp-1026401,KLiMg14,-1.4985008394,0.0904518177,0.1212705658,0.1212705658,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:K-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:K-Li-Mg, expected KLiMg18 to be KLiMg14" +mp-1026396,KLiMg14,-1.4914414419,0.0975112152,0.1283299633,0.1283299633,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:K-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:K-Li-Mg, expected KLiMg26 to be KLiMg14" +mp-1021309,KLiMg6,-1.4142577819,0.1633674823,0.19825413,0.19825413,GGA,Amm2,ABC6_oC16_38_a_a_2bde:K-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:K-Li-Mg, expected KLiMg12 to be KLiMg6" +mp-1021353,KLiMg6,-1.4198033431,0.1578219211,0.1927085688,0.1927085688,GGA,Amm2,ABC6_oC16_38_a_b_abde:K-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:K-Li-Mg, expected KLiMg12 to be KLiMg6" +mp-694935,K3LiMg4(Si2O5)6,-7.6574841303,-3.1545697782,0.0,-0.000842494,GGA,Ccc2,A3BC4D30E12_oC200_37_ad_c_bcd_15d_6d:K-Li-Mg-O-Si,100.0,"Invalid WP multiplicities - A3BC4D30E12_oC200_37_2a2d_c_b2c3d_57d_22d:K-Li-Mg-O-Si, expected K6LiMg9(Si22O57)2 to be K3LiMg4(Si2O5)6" +mp-1031307,KLiMg6O7,-5.5257074153,-2.3758525425,0.4000097919,0.4000097919,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:K-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:K-Li-Mg-O, expected KLiMg10O11 to be KLiMg6O7" +mp-1031324,KLiMg6O7,-5.4434926173,-2.2936377445,0.4822245899,0.4822245899,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:K-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:K-Li-Mg-O, expected KLiMg10O11 to be KLiMg6O7" +mp-1031332,KLiMg6O7,-5.4544371080000005,-2.3045822352,0.4712800993,0.4712800993,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:K-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:K-Li-Mg-O, expected KLiMg10O11 to be KLiMg6O7" +mp-1031367,KLiMg6O7,-5.5040538727,-2.3541989998,0.4216633346,0.4216633346,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:K-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:K-Li-Mg-O, expected KLiMg10O11 to be KLiMg6O7" +mp-1034013,KLiMg14O15,-5.9337134155,-2.7200497644,0.1993882938,0.1993882938,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:K-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:K-Li-Mg-O +mp-1034014,KLiMg14O15,-5.9494476674,-2.7357840164,0.1836540419,0.1836540419,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:K-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:K-Li-Mg-O +mp-1034028,KLiMg14O15,-5.9588774348,-2.7452137838,0.1742242745,0.1742242745,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:K-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:K-Li-Mg-O +mp-1034041,KLiMg14O15,-5.9427415523,-2.7290779012,0.1903601571,0.1903601571,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:K-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:K-Li-Mg-O +mp-1040399,KLiMg30O31,-6.158861416,-2.9148126325,0.0729948181,0.0729948181,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:K-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:K-Li-Mg-O, expected KLiMg38O39 to be KLiMg30O31" +mp-1040348,KLiMg30O31,-6.1483588356,-2.904310052,0.0834973986,0.0834973986,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:K-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2a2bc2d2e2f4g4h2i:K-Li-Mg-O, expected KLiMg38O39 to be KLiMg30O31" +mp-1040320,KLiMg30O31,-6.1513741511,-2.9073253676,0.080482083,0.080482083,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:K-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:K-Li-Mg-O, expected KLiMg38O39 to be KLiMg30O31" +mp-1040366,KLiMg30O31,-6.1593673311,-2.9153185476,0.072488903,0.072488903,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_a2b2c2d2e2f:K-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_a2b2c2d6e6f:K-Li-Mg-O, expected KLiMg62O63 to be KLiMg30O31" +mp-505599,VNiSb,-6.5124679633,-0.1814532999999999,0.1280436929,0.1280436929,GGA,F-43m,ABC_cF12_216_c_a_b:Ni-Sb-V,3.0,ABC_cF12_216_c_a_b:Ni-Sb-V +mp-756761,Li4V3Ni3(SbO8)2,-7.0682287132,-2.081341514,0.0261948371,0.0261948371,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Ni-O-Sb-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Ni-O-Sb-V, expected Li4V3Ni3(SbO10)2 to be Li4V3Ni3(SbO8)2" +mp-1216455,V4NiSb4,-6.6361653822,-0.1215247244,0.1550610357,0.1550610357,GGA,P-6m2,AB4C4_hP9_187_c_abh_2i:Ni-Sb-V,9.0,"Invalid WP multiplicities - AB4C4_hP9_187_c_abh_4i:Ni-Sb-V, expected V8NiSb4 to be V4NiSb4" +mp-1177235,Li4V3Ni2Sb3O16,-7.0130994546,-2.0851813783,0.0617517513,0.0617517513,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Ni-O-Sb-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Ni-O-Sb-V, expected Li4V3Ni2Sb3O20 to be Li4V3Ni2Sb3O16" +mp-774610,Li4V2Ni3Sb3O16,-6.7989638436,-1.9890375312,0.0578158066,0.0578158066,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sb-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Ni-O-Sb-V, expected Li4V2Ni3Sb3O20 to be Li4V2Ni3Sb3O16" +mp-1216549,V2NiSb2,-6.58565026,-0.14446,0.158769314,0.158769314,GGA,P-6m2,AB2C2_hP5_187_a_bc_i:Ni-Sb-V,5.0,AB2C2_hP5_187_a_bc_i:Ni-Sb-V +mp-1067900,V2NiSb,-6.9872651225,0.0319723925,0.3128692893,0.3128692893,GGA,F-43m,ABC2_cF16_216_a_c_bd:Ni-Sb-V,4.0,ABC2_cF16_216_a_c_bd:Ni-Sb-V +mp-8932,Cs2SiP2,-4.075952875,-0.4674073175,0.0,-0.1263806873,GGA,Ibam,A2B2C_oI20_72_j_j_a:Cs-P-Si,10.0,A2B2C_oI20_72_j_j_a:Cs-P-Si +mp-561121,CsTi3P5O19,-8.2091141114,-3.0078470947,0.0,-0.0304451053,GGA,Cm,AB19C5D3_mC56_8_a_3a8b_a2b_ab:Cs-O-P-Ti,28.0,"Invalid WP multiplicities - AB19C5D3_mC56_8_a_3a16b_a2b_a2b:Cs-O-P-Ti, expected CsTi5(PO7)5 to be CsTi3P5O19" +mp-1226234,CsTi3P5O19,-8.2022460118,-3.000978995,0.0068680996,-0.0235770057,GGA,Cc,AB19C5D3_mC112_9_a_19a_5a_3a:Cs-O-P-Ti,56.0,"Invalid WP multiplicities - AB19C5D3_mC112_9_a_28a_7a_4a:Cs-O-P-Ti, expected CsTi4(PO4)7 to be CsTi3P5O19" +mp-541318,CsTi3Si2P6O25,-8.1815627549,-3.0037371521,0.0,-0.001510617,GGA,P-31c,AB25C6D2E3_hP74_163_c_b4i_i_e_df:Cs-O-P-Si-Ti,74.0,AB25C6D2E3_hP74_163_c_b4i_i_e_df:Cs-O-P-Si-Ti +mp-14864,Cs2Ti(PO4)2,-7.5214310927,-2.8993994416,0.0,-0.0313680923,GGA,P2_12_12_1,A2B8C2D_oP52_19_2a_8a_2a_a:Cs-O-P-Ti,52.0,A2B8C2D_oP52_19_2a_8a_2a_a:Cs-O-P-Ti +mp-572361,Cs2Ti(PO4)2,-7.5189219225,-2.8968902714,0.0025091702,-0.0288589221,GGA,Pnma,A2B8C2D_oP52_62_2c_2c3d_d_c:Cs-O-P-Ti,52.0,"Invalid WP multiplicities - A2B8C2D_oP52_62_7c_8c20d_d_c:Cs-O-P-Ti, expected Cs7Ti(PO24)2 to be Cs2Ti(PO4)2" +mp-17359,CsTiP2O7,-7.8050609527,-2.8737590999,0.0281337025,0.0281337025,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Ti,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Ti +mp-1203715,Cs2TiP4O13,-7.6094961435,-2.8271731418,0.0,-0.0070975854,GGA,P-1,A2B13C4D_aP40_2_2i_13i_4i_i:Cs-O-P-Ti,40.0,A2B13C4D_aP40_2_2i_13i_4i_i:Cs-O-P-Ti +mp-616135,Cs5SiP3,-3.2454910497,-0.3407980041,0.0041674897,0.0041674897,GGA,Pnma,A5B3C_oP36_62_5c_3c_c:Cs-P-Si,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_17c_10c_c:Cs-P-Si, expected Cs17SiP10 to be Cs5SiP3" +mp-721072,Cu3As2H2PbO10,-5.8917697256,-1.3595006649,0.0368988846,0.0368988846,GGA,C2/c,A2B3C2D10E_mC72_15_f_abc_f_5f_e:As-Cu-H-O-Pb,36.0,"Invalid WP multiplicities - A2B3C2D10E_mC72_15_f_2a2b2c_f_19f_e:As-Cu-H-O-Pb, expected Cu6As2H2PbO38 to be Cu3As2H2PbO10" +mp-1519736,SrCaYNbO6,-8.32211414,-3.3278139646,0.1484286399,0.1484286399,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-Y +mp-1523024,KLaDyMnO6,-7.636308469,-2.6867744238,0.2339226957,0.2339226957,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Dy-K-La-Mn-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Dy-K-La-Mn-O +mp-1195028,Na2Lu2B2TeO10,-7.4426289476,-2.8746331727000003,0.0,-0.0230735318,GGA,P2_1/c,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Lu-Na-O-Te,34.0,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Lu-Na-O-Te +mp-1198228,Sm2TeMo6(H5O9)4,-6.6250680291,-1.6467650548,0.0757912423,0.0757912423,GGA+U,P-1,A20B6C36D2E_aP65_2_10i_3i_18i_i_a:H-Mo-O-Sm-Te,65.0,A20B6C36D2E_aP65_2_10i_3i_18i_i_a:H-Mo-O-Sm-Te +mp-1198861,Sm2Te(Mo3O22)2,-6.4458848228,-0.8740228961000001,0.51070827,0.51070827,GGA+U,P-1,A6B44C2D_aP53_2_3i_22i_i_a:Mo-O-Sm-Te,53.0,A6B44C2D_aP53_2_3i_22i_i_a:Mo-O-Sm-Te +mp-1194989,Na2Ho2B2TeO10,-7.4347621938,-2.8595360247,0.0,-0.0174212224,GGA,P2_1/c,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Ho-Na-O-Te,34.0,A2B2C2D10E_mP34_14_e_e_e_5e_a:B-Ho-Na-O-Te +mp-1188943,NaHoBO5,-7.0245454806,-2.3598242943,0.2093941113,0.2093941113,GGA,P2_1/m,ABCD5_mP16_11_e_e_a_3ef:B-Ho-Na-O,16.0,ABCD5_mP16_11_e_e_a_3ef:B-Ho-Na-O +mp-1523331,SrPrYMnO6,-8.211388429,-3.0334866409,0.1437165696,0.1437165696,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Y,10.0,AB6CDE_cF40_216_a_f_c_d_b:Mn-O-Pr-Sr-Y +mp-1523299,NaSmEuWO6,-8.709077302,-2.8154397294,0.0790718962,0.0790718962,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Sm-W +mp-1212462,Hf5MnSb2,-8.8663445869,-0.4655992216,0.0,-0.0222260989,GGA,I4/mcm,A5BC2_tI32_140_bk_a_h:Hf-Mn-Sb,16.0,A5BC2_tI32_140_bk_a_h:Hf-Mn-Sb +mp-1224484,Hf10MnSb5,-8.5887960375,-0.5026140505,0.0,-0.0037012245,GGA,I422,A10BC5_tI32_97_ck_a_bj:Hf-Mn-Sb,16.0,A10BC5_tI32_97_ck_a_bj:Hf-Mn-Sb +mp-4233,KMnSb,-5.0048397333,-0.204367907,0.1469885444,0.1469885444,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Mn-Sb,6.0,ABC_tP6_129_c_a_c:K-Mn-Sb +mp-1522497,KHfMnSbO6,-7.835178143,-2.4313044653,0.1979066867,0.1979066867,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Mn-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-K-Mn-O-Sb +mp-1211713,KLiTb2(MoO4)4,-8.1482816915,-2.5308786151,0.0172095542,0.0172095542,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Tb,48.0,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Tb +mp-1211850,KLiGd2(MoO4)4,-8.9196075663,-2.5153914782,0.016958213,0.016958213,GGA+U,C2/c,A2BCD4E16_mC96_15_f_e_e_2f_8f:Gd-K-Li-Mo-O,48.0,A2BCD4E16_mC96_15_f_e_e_2f_8f:Gd-K-Li-Mo-O +mp-1523242,NaCaDyWO6,-7.901132334,-2.8438148829000003,0.1294723636,0.1294723636,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Na-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-Na-O-W +mp-780412,Na6Bi2B4AsO16,-6.5158058366,-2.1661563576,0.0610298337,0.0610298337,GGA,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-B-Bi-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_2eg:As-B-Bi-Na-O, expected Na6Bi2B4AsO20 to be Na6Bi2B4AsO16" +mp-770475,Na3BiBAsO7,-6.2632815492,-2.1268664596,0.0225768228,0.0225768228,GGA,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Bi-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-B-Bi-Na-O, expected Na4BiBAsO13 to be Na3BiBAsO7" +mp-1176416,Na2BiBAsO7,-6.3733104954,-2.0024045895,0.0686332054,0.0686332054,GGA,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-B-Bi-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-B-Bi-Na-O, expected Na2BiBAsO13 to be Na2BiBAsO7" +mp-1518022,KNdFeSnO6,-6.959775842,-2.1559486708,0.1895989675,0.1895989675,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-Nd-O-Sn,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-Nd-O-Sn +mp-721077,CsFeH24(SeO10)2,-5.4210971358,-1.3228378474,0.0,-0.0015712169,GGA+U,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Fe-H-O-Se,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Fe-H-O-Se +mp-662563,CsFe2Se3,-5.48017198,-0.7596421092000001,0.0,-0.0053383506,GGA,Cmcm,AB2C3_oC24_63_c_e_cg:Cs-Fe-Se,12.0,AB2C3_oC24_63_c_e_cg:Cs-Fe-Se +mp-1201016,Cs9Fe2Se7,-3.8586157968,-1.1102800128,0.0,-0.0135730091,GGA,P2_13,A9B2C7_cP72_198_3a2b_2a_a2b:Cs-Fe-Se,72.0,A9B2C7_cP72_198_3a2b_2a_a2b:Cs-Fe-Se +mp-1213156,CsFe(SeO4)2,-6.093102065,-1.4322057127,0.0,-0.0086102138,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Cs-Fe-O-Se,12.0,ABC8D2_hP12_150_a_b_dg_d:Cs-Fe-O-Se +mp-1194302,Cs3FeSe3,-4.1641327779,-1.072138098,0.0,-0.0247956642,GGA,Cmce,A3BC3_oC56_64_fg_d_fg:Cs-Fe-Se,28.0,A3BC3_oC56_64_fg_d_fg:Cs-Fe-Se +mp-1202896,FeMoHSeO7,-7.1300663852,-1.5999636742,0.0116915251,0.0116915251,GGA+U,C2/c,ABCD7E_mC88_15_f_f_f_2e6f_f:Fe-H-Mo-O-Se,44.0,ABCD7E_mC88_15_f_f_f_2e6f_f:Fe-H-Mo-O-Se +mp-1225102,FeMo2H7O11,-6.6997697045,-1.5414849632,0.0513321382,0.0513321382,GGA+U,P1,AB7C2D11_aP21_1_a_7a_2a_11a:Fe-H-Mo-O,42.0,AB7C2D11_aP21_1_a_7a_2a_11a:Fe-H-Mo-O +mp-1567719,FeMo2H7O11,-6.7007887298,-1.5425039884,0.050313113,0.050313113,GGA+U,P1,AB7C2D11_aP21_1_a_7a_2a_11a:Fe-H-Mo-O,42.0,AB7C2D11_aP21_1_a_7a_2a_11a:Fe-H-Mo-O +mp-1225290,Fe(Mo3Se4)2,-7.486148454,-0.7187342079,0.0719327798,0.0719327798,GGA,P1,AB6C8_aP15_1_a_6a_8a:Fe-Mo-Se,15.0,AB6C8_aP15_1_a_6a_8a:Fe-Mo-Se +mp-686056,Fe(Mo3Se4)2,-7.4802212967,-0.7128070506,0.0778599372,0.0778599372,GGA,P-1,AB6C8_aP30_2_i_6i_8i:Fe-Mo-Se,30.0,"Invalid WP multiplicities - AB6C8_aP30_2_i_11i_15i:Fe-Mo-Se, expected FeMo11Se15 to be Fe(Mo3Se4)2" +mp-1104529,Fe(Mo3Se4)2,-7.4134523567,-0.6460381106,0.1446288772,0.1446288772,GGA,R-3,AB6C8_hR45_148_a_f_cf:Fe-Mo-Se,15.0,"Invalid WP multiplicities - AB6C8_hR45_148_a_f_c2f:Fe-Mo-Se, expected Fe(Mo3Se7)2 to be Fe(Mo3Se4)2" +mp-2234096,Ba2MgCuWO6,-7.0274834855,-2.284238113,0.4039497527,0.4039497527,GGA+U,C2/m,A2BCD6E_mC22_12_h_a_c_g2i_b:Ba-Cu-Mg-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_12_h_b_c_g3i_a:Ba-Cu-Mg-O-W, expected Ba2MgCuWO8 to be Ba2MgCuWO6" +mp-1042556,BaCuWO5,-7.328022608699999,-1.8643031842,0.4190370931,0.4190370931,GGA+U,P4mm,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-W,8.0,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-W +mp-505618,Ba2CuWO6,-7.503046353,-2.4455044483,0.0396052942,0.0396052942,GGA+U,I4/m,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-W,10.0,A2BC6D_tI20_87_d_a_eh_b:Ba-Cu-O-W +mp-551613,Ba2CuWO6,-7.502765947,-2.4452240423,0.0398857002,0.0398857002,GGA+U,I4/mmm,A2BC6D_tI20_139_d_a_eh_b:Ba-Cu-O-W,10.0,"Invalid WP multiplicities - A2BC6D_tI20_139_d_a_2e3h_b:Ba-Cu-O-W, expected Ba2CuWO16 to be Ba2CuWO6" +mp-1247099,Sr(CrN2)2,-8.5026123244,-0.7395311682,0.0519157717,0.0519157717,GGA,Pa-3,A2B4C_cP84_205_d_2d_ac:Cr-N-Sr,84.0,A2B4C_cP84_205_d_2d_ac:Cr-N-Sr +mp-1245923,Sr(CrN)2,-8.064479616,-0.5307639673,0.2662309014,0.2662309014,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cr-N-Sr,5.0,A2B2C_hP5_164_d_d_a:Cr-N-Sr +mp-7214,Sr3CrN4,-7.1013495489,-1.0929111077,0.0,-0.1104294261,GGA,Pbca,AB4C3_oP64_61_c_4c_3c:Cr-N-Sr,64.0,"Invalid WP multiplicities - AB4C3_oP64_61_c_6c_4c:Cr-N-Sr, expected Sr4CrN6 to be Sr3CrN4" +mp-12906,Sr3CrN3,-6.6594342436,-0.9835753,0.0,-0.0467943506,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cr-N-Sr,14.0,AB3C3_hP14_176_c_h_h:Cr-N-Sr +mp-1246582,Sr3Cr3N5,-7.7254938364,-0.8427577095000001,0.1060215904,0.1060215904,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Cr-N-Sr,22.0,A3B5C3_aP22_2_3i_5i_3i:Cr-N-Sr +mp-1029923,Sr2CrN3,-7.4155195179,-1.075266326,0.0,-0.0150978428,GGA,Cmce,AB3C2_oC48_64_f_e2f_2f:Cr-N-Sr,24.0,AB3C2_oC48_64_f_e2f_2f:Cr-N-Sr +mp-1247459,Sr8Cr3N8,-6.6485683589,-0.9029341781,0.0633854149,0.0633854149,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Cr-N-Sr,19.0,A3B8C8_mC38_12_ai_4i_4i:Cr-N-Sr +mp-1247333,Sr9(CrN4)2,-6.2010260789,-0.87452632,0.056995257,0.056995257,GGA,C2/m,A2B8C9_mC38_12_i_4i_a4i:Cr-N-Sr,19.0,A2B8C9_mC38_12_i_4i_a4i:Cr-N-Sr +mp-1245617,Sr2CrN2,-6.651056663,-0.7100518177,0.2079517957,0.2079517957,GGA,Cmce,AB2C2_oC40_64_f_2f_2f:Cr-N-Sr,20.0,AB2C2_oC40_64_f_2f_2f:Cr-N-Sr +mp-555994,Sr6Li2Cr2N8O,-6.5218149142,-1.0007859929,0.2474176127,0.2474176127,GGA+U,P-1,A2B2C8DE6_aP19_2_i_i_4i_a_3i:Cr-Li-N-O-Sr,19.0,"Invalid WP multiplicities - A2B2C8DE6_aP19_2_i_i_8i_a_5i:Cr-Li-N-O-Sr, expected Sr10Li2Cr2N16O to be Sr6Li2Cr2N8O" +mp-629430,SrLi2CrN3,-6.70003161,-0.9614785483,0.0,-0.037900922,GGA,Pbca,AB2C3D_oP56_61_c_2c_3c_c:Cr-Li-N-Sr,56.0,"Invalid WP multiplicities - AB2C3D_oP56_61_c_9c_18c_c:Cr-Li-N-Sr, expected SrLi9CrN18 to be SrLi2CrN3" +mp-1246666,Sr4CrN4,-6.4316226819,-0.9030670171,0.0762736801,0.0762736801,GGA,Pnma,AB4C4_oP36_62_c_4c_4c:Cr-N-Sr,36.0,AB4C4_oP36_62_c_4c_4c:Cr-N-Sr +mp-1029838,SrCrN2,-7.9985659275,-0.9946832342,0.0,-0.0153493103,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:Cr-N-Sr,16.0,AB2C_mP16_14_e_2e_e:Cr-N-Sr +mp-1246530,Sr5(CrN3)2,-6.9570739512,-0.9745715083,0.0513227267,0.0513227267,GGA,C2/c,A2B6C5_mC52_15_f_3f_e2f:Cr-N-Sr,26.0,A2B6C5_mC52_15_f_3f_e2f:Cr-N-Sr +mp-1246157,Sr3(CrN2)2,-7.1591636089,-0.7457686089000001,0.2260766121,0.2260766121,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Cr-N-Sr,18.0,A2B4C3_mC36_15_f_2f_ef:Cr-N-Sr +mp-1246148,Sr3(CrN2)2,-7.2865215519,-0.8731265519,0.0987186691,0.0987186691,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Cr-N-Sr,36.0,A2B4C3_oP36_52_cd_2e_ce:Cr-N-Sr +mp-542789,Li14Cr2N8O,-5.501345166,-0.7945586386,0.1700679436,0.1700679436,GGA+U,P-3,A2B14C8D_hP25_147_d_c2g_dg_a:Cr-Li-N-O,25.0,"Invalid WP multiplicities - A2B14C8D_hP25_147_d_c2g_2d2g_a:Cr-Li-N-O, expected Li14Cr2N16O to be Li14Cr2N8O" +mp-1247406,Sr7CrN6,-5.9061113827,-0.799077726,0.111130991,0.111130991,GGA,Pbcn,AB6C7_oP56_60_c_3d_c3d:Cr-N-Sr,56.0,AB6C7_oP56_60_c_3d_c3d:Cr-N-Sr +mp-1247318,SrCr7N10,-9.0712245303,-0.5920148084,0.1098639673,0.1098639673,GGA,Pc,A7B10C_mP36_7_7a_10a_a:Cr-N-Sr,36.0,A7B10C_mP36_7_7a_10a_a:Cr-N-Sr +mp-1228766,Ba3NdV3O12,-8.1124007626,-2.9999241838,0.0691733263,0.0691733263,GGA+U,Cm,A3BC12D3_mC76_8_6a_2a_12a6b_6a:Ba-Nd-O-V,38.0,"Invalid WP multiplicities - A3BC12D3_mC76_8_6a_2a_12a12b_6a:Ba-Nd-O-V, expected Ba3NdV3O18 to be Ba3NdV3O12" +mp-1522754,BaNdEuVO6,-8.607428105,-3.036611854,0.2045085112,0.2045085112,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-V,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Eu-Nd-O-V +mp-1520957,Ba2NdVO6,-7.8145701755,-3.0775566105,0.1151941561,0.1151941561,GGA+U,Pn-3,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-V,40.0,A2BC6D_cP40_201_ad_b_h_c:Ba-Nd-O-V +mp-1520908,Ba2NdVO6,-7.819176503,-3.082162938,0.1105878286,0.1105878286,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-V,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Nd-O-V +mp-1522854,BaNdV4O12,-8.2864756317,-2.5985305657,0.2209789466,0.2209789466,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Nd-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Nd-O-V, expected BaNdV4O16 to be BaNdV4O12" +mp-1214860,Ba2NdV3O11,-8.307880721,-2.9977988771,0.0147712576,0.0147712576,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Nd-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-Nd-O-V +mp-1228597,Ba5Fe3W2O15,-7.9587932514,-2.5539320731,0.0165502702,0.0165502702,GGA+U,I4/m,A5B3C15D2_tI100_87_di_abh_e5hi_h:Ba-Fe-O-W,50.0,"Invalid WP multiplicities - A5B3C15D2_tI100_87_2d2i_ab2h_2e20h4i_h:Ba-Fe-O-W, expected Ba10Fe5(WO29)2 to be Ba5Fe3W2O15" +mp-1228108,Ba4Fe2MoWO12,-7.6941265585,-2.3051272057,0.2662769252,0.2662769252,GGA+U,R-3m,A4B2CD12E_hR60_166_2c_c_a_2h_b:Ba-Fe-Mo-O-W,20.0,"Invalid WP multiplicities - A4B2CD12E_hR60_166_3c_c_a_7h_b:Ba-Fe-Mo-O-W, expected Ba6Fe2MoWO42 to be Ba4Fe2MoWO12" +mp-1272506,Ba2FeWO6,-8.135210037,-2.6405866782,0.0003475995,-0.0477320467,GGA+U,C2/c,A2BC6D_mC40_15_f_c_3f_e:Ba-Fe-O-W,20.0,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-W +mp-18845,Ba2FeWO6,-8.1355576365,-2.6409342778,0.0,-0.0480796462,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Fe-O-W,20.0,"Invalid WP multiplicities - A2BC6D_tI20_139_d_a_e2h_b:Ba-Fe-O-W, expected Ba2FeWO10 to be Ba2FeWO6" +mp-1228376,Ba3Fe2WO9,-7.8685341117,-2.5235143869,0.0,-0.0173137688,GGA+U,P6_3mc,A3B2C9D_hP30_186_a2b_ab_3c_b:Ba-Fe-O-W,30.0,"Invalid WP multiplicities - A3B2C9D_hP30_186_a4b_ab_5c_b:Ba-Fe-O-W, expected Ba5Fe2WO15 to be Ba3Fe2WO9" +mp-1516350,BaSrNdVO6,-7.7835252865,-3.0694598702,0.1465899549,0.1465899549,GGA+U,P222,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Nd-O-Sr-V,40.0,ABC6DE_oP40_16_abcf_u_6u_degh_u:Ba-Nd-O-Sr-V +mp-1516222,BaSrNdVO6,-7.769440558,-3.0553751417,0.1606746834,0.1606746834,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nd-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Nd-O-Sr-V +mp-2232825,MgTlV4O10,-7.9215052731,-2.3111656113,0.1233482491,0.1233482491,GGA+U,P-1,AB10CD4_aP16_2_a_5i_e_2i:Mg-O-Tl-V,16.0,"Invalid WP multiplicities - AB10CD4_aP16_2_a_6i_e_2i:Mg-O-Tl-V, expected MgTlV4O12 to be MgTlV4O10" +mp-2240865,MgTlV4O10,-7.9366787662,-2.3263391044,0.1081747559,0.1081747559,GGA+U,Cm,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Tl-V,16.0,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Tl-V +mp-2241517,MgTlV4O10,-7.8062263606,-2.1958866988,0.2386271616,0.2386271616,GGA+U,Cm,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Tl-V,16.0,AB10CD4_mC32_8_a_10a_a_4a:Mg-O-Tl-V +mp-2222828,MgTl3VO4,-5.6773926133,-1.5041847906,0.3530305957,0.3530305957,GGA+U,Cm,AB4C3D_mC18_8_a_2ab_ab_a:Mg-O-Tl-V,9.0,"Invalid WP multiplicities - AB4C3D_mC18_8_a_2ab_a2b_a:Mg-O-Tl-V, expected MgTl5VO4 to be MgTl3VO4" +mp-2228511,MgTl4V2O7,-6.2013449357,-1.640953096,0.3106037864,0.3106037864,GGA+U,P-3m1,AB7C4D2_hP14_164_a_bi_2d_c:Mg-O-Tl-V,14.0,AB7C4D2_hP14_164_a_bi_2d_c:Mg-O-Tl-V +mp-639714,TlVTeO5,-6.7390946619,-1.8236823286,0.0,-0.0019074923,GGA+U,Pna2_1,A5BCD_oP32_33_5a_a_a_a:O-Te-Tl-V,32.0,"Invalid WP multiplicities - A5BCD_oP32_33_20a_a_a_a:O-Te-Tl-V, expected TlVTeO20 to be TlVTeO5" +mp-1233086,MgTl4V4(TeO5)4,-6.6597773027,-1.8448235235,0.0768891715,0.0768891715,GGA+U,P1,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V,33.0,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V +mp-1234173,MgTl4V4(TeO5)4,-6.6579606618,-1.8430068826,0.0787058124,0.0787058124,GGA+U,P1,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V,33.0,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V +mp-1234310,MgTl4V4(TeO5)4,-6.6634012279,-1.8484474486,0.0732652464,0.0732652464,GGA+U,P1,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V,33.0,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V +mp-2220594,MgTl4V4(TeO5)4,-6.6571452124,-1.8421914332,0.0795212618,0.0795212618,GGA+U,P1,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V,33.0,AB20C4D4E4_aP33_1_a_20a_4a_4a_4a:Mg-O-Te-Tl-V +mp-1207858,Y6Ti4Al43,-4.7108130243,-0.3440100916,0.0,-0.0254944717,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Y,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-Ti-Y +mp-1048068,Sr2YTi2AlO7,-8.1717567931,-3.2479999575,0.0799855502,0.0799855502,GGA,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-Ti-Y,26.0,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-Ti-Y +mp-849422,Li4Cr3Co3(WO8)2,-7.8989793357,-2.0781555107,0.0623921295,0.0623921295,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-W,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-W, expected Li4Cr3Co3(WO10)2 to be Li4Cr3Co3(WO8)2" +mp-695054,TiCdFe(PO4)3,-7.7911070503,-2.6306306591,0.0,-0.0173272359,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Cd-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Cd-Fe-O-P-Ti, expected TiCdFe(PO18)3 to be TiCdFe(PO4)3" +mp-1214030,Cd5Fe2(P2O7)4,-7.0947631366,-2.3652702253,0.0003706546,0.0003706546,GGA+U,C222_1,A5B2C28D8_oC172_20_2abc_c_14c_4c:Cd-Fe-O-P,86.0,A5B2C28D8_oC172_20_2abc_c_14c_4c:Cd-Fe-O-P +mp-775005,Ti3Fe2Te(PO4)6,-8.0606200622,-2.6447820491,0.0931407393,0.0931407393,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Te-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Fe-O-P-Te-Ti, expected Ti3Fe2Te(PO11)6 to be Ti3Fe2Te(PO4)6" +mp-1223321,KTaSi2O7,-8.5287782207,-3.2155388011,0.0,-0.0162632595,GGA,P4/mbm,AB7C2D_tP44_127_g_abfhl_k_e:K-O-Si-Ta,44.0,AB7C2D_tP44_127_g_abfhl_k_e:K-O-Si-Ta +mp-677080,K6Ba3Ta12(Si2O13)4,-8.9118506701,-3.2903320616,0.0014268893,0.0014268893,GGA,Pmm2,A3B6C52D8E12_oP81_25_ce_abef_abcd2e4fgh8i_2i_gh2i:Ba-K-O-Si-Ta,81.0,"Invalid WP multiplicities - A3B6C52D8E12_oP81_25_ce_abef_abcd2e5fg2h13i_3i_g2h3i:Ba-K-O-Si-Ta, expected K6Ba3Ta18(Si3O19)4 to be K6Ba3Ta12(Si2O13)4" +mp-16855,K3Ta3Si2O13,-8.5915155638,-3.1599860858,0.0,-0.0097632035,GGA,P-62m,A3B13C2D3_hP42_189_fg_cfgil_h_i:K-O-Si-Ta,42.0,"Invalid WP multiplicities - A3B13C2D3_hP42_189_2f2g_cfg2il_h_i:K-O-Si-Ta, expected K6Ta3(SiO8)2 to be K3Ta3Si2O13" +mp-677011,K4BaTa6(Si2O13)2,-8.8019123895,-3.2452681183,0.0014952202,0.0014952202,GGA,Amm2,AB4C26D4E6_oC82_38_a_de_abcd2e4f_f_cf:Ba-K-O-Si-Ta,41.0,"Invalid WP multiplicities - AB4C26D4E6_oC82_38_a_d2e_ab2c2d4e9f_f_cf:Ba-K-O-Si-Ta, expected K6BaTa6(Si2O27)2 to be K4BaTa6(Si2O13)2" +mp-1204542,CoH15Pd(NCl)5,-4.9227622049,-0.6966789381,0.0091564004,0.0091564004,GGA,Pna2_1,A5BC15D5E_oP108_33_5a_a_15a_5a_a:Cl-Co-H-N-Pd,108.0,A5BC15D5E_oP108_33_5a_a_15a_5a_a:Cl-Co-H-N-Pd +mp-643735,H8Pd(NCl3)2,-4.3583122409,-0.8238475362000001,0.0,-0.0519148724,GGA,P2_1/c,A6B8C2D_mP34_14_3e_4e_e_a:Cl-H-N-Pd,34.0,A6B8C2D_mP34_14_3e_4e_e_a:Cl-H-N-Pd +mp-643397,H8Pd(NCl3)2,-4.35275767,-0.8182929653000001,0.0055545709,-0.0463603015,GGA,Fm-3m,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Pd,17.0,A6B8C2D_cF68_225_e_f_c_a:Cl-H-N-Pd +mp-1522529,KLaTbGeO6,-7.261626298,-2.7632330706,0.1918448119,0.1918448119,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ge-K-La-O-Tb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ge-K-La-O-Tb +mp-1196566,Tl2TeH6SeO10,-5.3299664115,-1.2705790592,0.015914207,0.015914207,GGA,P2_1/c,A6B10CDE2_mP80_14_6e_10e_e_ad_2e:H-O-Se-Te-Tl,80.0,A6B10CDE2_mP80_14_6e_10e_e_ad_2e:H-O-Se-Te-Tl +mp-565929,K2EuTa5O15,-9.6181399209,-3.2717478116,0.0,-0.0254043491,GGA,P4/mbm,AB2C15D5_tP46_127_a_g_dhi2j_cj:Eu-K-O-Ta,46.0,"Invalid WP multiplicities - AB2C15D5_tP46_127_a_g_2d4h7i12j_2c2j:Eu-K-O-Ta, expected K2EuTa10O86 to be K2EuTa5O15" +mp-1190133,KNaEuTaO5,-8.4034338772,-2.927750852,0.0,-0.0294277698,GGA,P4/nmm,ABCD5E_tP18_129_a_b_c_cj_c:Eu-K-Na-O-Ta,18.0,ABCD5E_tP18_129_a_b_c_cj_c:Eu-K-Na-O-Ta +mp-1203993,K2Na2Eu4Ta2O13,-8.8046490507,-2.9821984338,0.0015132054,0.0015132054,GGA,C2/c,A4B2C2D13E2_mC92_15_2f_f_f_e6f_f:Eu-K-Na-O-Ta,46.0,A4B2C2D13E2_mC92_15_2f_f_f_e6f_f:Eu-K-Na-O-Ta +mp-1048247,YSn3Se2ClO8,-6.1309006393,-1.6702969071,0.4418947319,0.4418947319,GGA,Pmmn,AB8C2D3E_oP30_59_b_2eg_e_ac_a:Cl-O-Se-Sn-Y,30.0,"Invalid WP multiplicities - AB8C2D3E_oP30_59_b_5e3g_e_a2c_a:Cl-O-Se-Sn-Y, expected YSn5Se2ClO22 to be YSn3Se2ClO8" +mp-8623,K2Te2Pt,-3.894377658,-0.9786690579,0.0,-0.057395264,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pt-Te,5.0,A2BC2_oI10_71_e_c_g:K-Pt-Te +mp-1204646,K6Na2Te2PtO26,-4.4089468011,-0.3473496155,0.7364811285,0.7364811285,GGA,C2/m,A6B2C26DE2_mC74_12_3i_i_5i4j_a_i:K-Na-O-Pt-Te,37.0,A6B2C26DE2_mC74_12_3i_i_5i4j_a_i:K-Na-O-Pt-Te +mp-1048555,YCo3Se2ClO8,-6.7071292447,-1.6267763244,0.1446085039,0.1446085039,GGA+U,Pmmn,AB3C8D2E_oP30_59_b_ac_2eg_e_a:Cl-Co-O-Se-Y,30.0,"Invalid WP multiplicities - AB3C8D2E_oP30_59_b_a2c_5e3g_e_a:Cl-Co-O-Se-Y, expected YCo5Se2ClO22 to be YCo3Se2ClO8" +mp-14854,Sr2LiIn(B2O5)2,-7.5759137935,-2.8968000324,0.0075219833,0.0075219833,GGA,P2_1/c,A4BCD10E2_mP72_14_4e_e_e_10e_2e:B-In-Li-O-Sr,72.0,"Invalid WP multiplicities - A4BCD10E2_mP72_14_7e_e_e_16e_2e:B-In-Li-O-Sr, expected Sr2LiInB7O16 to be Sr2LiIn(B2O5)2" +mp-556799,Li3In(BO3)2,-6.8238371125,-2.5307231009,0.0038105223,0.0038105223,GGA,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-In-Li-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_6e_e_10e_20e:B-In-Li-O, expected Li10In(B3O10)2 to be Li3In(BO3)2" +mp-1043147,Sr2YCrCu2O7,-7.2172477792,-2.4231139478,0.4525376767,0.4525376767,GGA+U,Cm,AB2C7D2E_mC52_8_2a_2b_2a6b_2b_b:Cr-Cu-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C7D2E_mC52_8_2a_3b_2a9b_3b_b:Cr-Cu-O-Sr-Y, expected Sr3YCrCu3O10 to be Sr2YCrCu2O7" +mp-1218600,Sr2YCr(CuO4)2,-7.1695165321,-2.3644859236,0.3627189489,0.3627189489,GGA+U,Amm2,AB2C8D2E_oC28_38_a_c_cdf_c_b:Cr-Cu-O-Sr-Y,14.0,AB2C8D2E_oC28_38_a_c_cdf_c_b:Cr-Cu-O-Sr-Y +mp-1045767,YCr4(CuO4)3,-7.870556016,-2.0337287391,0.9413800507,0.9413800507,GGA+U,Im-3,A4B3C12D_cI40_204_c_b_g_a:Cr-Cu-O-Y,20.0,A4B3C12D_cI40_204_c_b_g_a:Cr-Cu-O-Y +mp-1042137,BaYCuSnO5,-7.0745053056,-2.4936532906,0.1549868405,0.1549868405,GGA,P4mm,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Sn-Y,9.0,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Sn-Y +mp-1045656,YCu3(SnO3)4,-6.600205096,-1.8920729421,0.1226089631,0.1226089631,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Y,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Sn-Y +mp-532562,K10Zr3Mn(MoO4)12,-7.9213634126,-2.3335530597,0.0021634193,0.0021634193,GGA+U,R3,A10BC12D48E3_hR222_146_4a2b_a_4b_16b_3a:K-Mn-Mo-O-Zr,74.0,"Invalid WP multiplicities - A10BC12D48E3_hR222_146_4a2b_a_8b_40b_3a:K-Mn-Mo-O-Zr, expected K10Zr3Mn(MoO5)24 to be K10Zr3Mn(MoO4)12" +mp-1519883,KCaFeBiO6,-6.242799581,-1.7321354376,0.1762315875,0.1762315875,GGA+U,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Fe-K-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Fe-K-O +mp-1519011,BaNaPrWO6,-7.905802706,-2.8397358574,0.0281586591,0.0281586591,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-Na-O-Pr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-Na-O-Pr-W, expected BaNa2PrWO12 to be BaNaPrWO6" +mp-1519147,BaNaPrWO6,-7.888538748,-2.8224718994,0.0454226171,0.0454226171,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-Pr-W +mp-1519260,BaNaPrWO6,-7.79032349,-2.7242566414,0.1436378751,0.1436378751,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Na-O-Pr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Na-O-Pr-W +mp-1225174,Fe(CoSe2)2,-5.7581848929,-0.5195702199000001,0.061549184,0.061549184,GGA,Cm,A2BC4_mC14_8_2a_a_4a:Co-Fe-Se,7.0,A2BC4_mC14_8_2a_a_4a:Co-Fe-Se +mp-1025235,Fe(CoSe2)2,-5.7817083914000005,-0.5430937185,0.0380256855,0.0380256855,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Co-Fe-Se,7.0,A2BC4_mC14_12_i_a_2i:Co-Fe-Se +mp-1224966,FeCoSe2,-5.953446455,-0.3109059649,0.2097394854,0.2097394854,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Fe-Se,4.0,ABC2_hP4_164_a_b_d:Co-Fe-Se +mp-1212758,Fe2Co3H4(Se3O10)2,-6.2539404434,-1.3469363555,0.0018374421,0.0018374421,GGA+U,P-1,A3B2C4D20E6_aP35_2_ai_i_2i_10i_3i:Co-Fe-H-O-Se,35.0,A3B2C4D20E6_aP35_2_ai_i_2i_10i_3i:Co-Fe-H-O-Se +mp-676089,Fe2CoSe4,-5.7247382657,-0.2915945335,0.2929387066,0.2929387066,GGA,P1,AB2C4_aP7_1_a_2a_4a:Co-Fe-Se,7.0,AB2C4_aP7_1_a_2a_4a:Co-Fe-Se +mp-1224716,Fe2CoSe4,-5.9392563529,-0.5061126206000001,0.0784206195,0.0784206195,GGA,Cm,AB2C4_mC14_8_a_2a_4a:Co-Fe-Se,7.0,AB2C4_mC14_8_a_2a_4a:Co-Fe-Se +mp-1078104,Fe2CoSe4,-5.94881593,-0.5156721978000001,0.0688610423,0.0688610423,GGA,C2/m,AB2C4_mC14_12_a_i_2i:Co-Fe-Se,7.0,AB2C4_mC14_12_a_i_2i:Co-Fe-Se +mp-561138,RbGd(PO3)4,-8.2495775771,-2.9123480841,0.0,-0.0051149957,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Gd-O-P-Rb,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_10e_e:Gd-O-P-Rb, expected RbGdP10O47 to be RbGd(PO3)4" +mp-1212761,Gd(FeP3)4,-7.2418718082,-0.59976374,0.0,-0.0109783399,GGA,Im-3,A4BC12_cI34_204_c_a_g:Fe-Gd-P,17.0,A4BC12_cI34_204_c_a_g:Fe-Gd-P +mp-1191833,Gd2Fe12P7,-8.686081593800001,-0.7010522344,0.0,-0.0151867463,GGA,P-6,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Gd-P,21.0,A12B2C7_hP21_174_2j2k_ad_ejk:Fe-Gd-P +mp-652036,GdFe5P3,-8.7978054189,-0.7237903289000001,0.0015325302,0.0015325302,GGA,Pnma,A5BC3_oP36_62_5c_c_3c:Fe-Gd-P,36.0,"Invalid WP multiplicities - A5BC3_oP36_62_15c_c_12c:Fe-Gd-P, expected Gd(Fe5P4)3 to be GdFe5P3" +mp-1201490,Rb7GdFe6(P4O17)2,-7.5966198755,-2.5385158712,0.0,-0.0073775129,GGA+U,P-1,A6BC34D8E7_aP56_2_3i_b_17i_4i_c3i:Fe-Gd-O-P-Rb,56.0,A6BC34D8E7_aP56_2_3i_b_17i_4i_c3i:Fe-Gd-O-P-Rb +mp-24013,CrCuH18N6Cl5,-5.0534052235,-0.7281479396,0.0076224075,0.0076224075,GGA,Fd-3c,A5BCD18E6_cF992_228_eg_c_b_3h_h:Cl-Cr-Cu-H-N,248.0,A5BCD18E6_cF992_228_eg_c_b_3h_h:Cl-Cr-Cu-H-N +mp-1006615,CrCuN6Cl5,-4.618183461,0.9982709229,1.7003623333,1.7003623333,GGA,Pn-3m,A5BCD6_cP52_224_ef_b_c_k:Cl-Cr-Cu-N,52.0,A5BCD6_cP52_224_ef_b_c_k:Cl-Cr-Cu-N +mp-1523087,KLaCeHfO6,-8.7038588573,-3.5421772068,0.0921380514,0.0921380514,GGA,Pnnn,ABCDE6_oP40_48_e_f_ab_cd_3m:Ce-Hf-K-La-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_f_2a2b_cd_6m:Ce-Hf-K-La-O, expected K2LaCeHfO12 to be KLaCeHfO6" +mp-1523337,KLaCeHfO6,-8.595875916,-3.4341942656,0.2001209927,0.2001209927,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Ce-Hf-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Ce-Hf-K-La-O +mp-27862,UTa2O8,-9.7616366291,-2.9815934509,0.4554883068,0.4554883068,GGA,P-31m,A8B2C_hP11_162_dk_c_a:O-Ta-U,11.0,"Invalid WP multiplicities - A8B2C_hP11_162_d2k_c_a:O-Ta-U, expected UTa2O14 to be UTa2O8" +mp-675679,UTa2O7,-10.376122878,-3.4127442531,0.0481799975,0.0481799975,GGA,Imma,A7B2C_oI40_74_3ej_ac_b:O-Ta-U,20.0,"Invalid WP multiplicities - A7B2C_oI40_74_6e4j_ac_b:O-Ta-U, expected UTa2O22 to be UTa2O7" +mp-16002,U2Ta6O19,-10.3602370598,-3.4077714556,0.0208896633,0.0208896633,GGA,P6_3/mcm,A19B6C2_hP54_193_gh2k_k_d:O-Ta-U,54.0,"Invalid WP multiplicities - A19B6C2_hP54_193_gh3k_k_d:O-Ta-U, expected U2Ta6O25 to be U2Ta6O19" +mp-669339,Cs2UTa6(Cl5O)3,-6.4589216567,-1.7627365986,0.3420647938,0.3420647938,GGA,P-31c,A15B2C3D6E_hP54_163_h2i_f_h_i_c:Cl-Cs-O-Ta-U,54.0,"Invalid WP multiplicities - A15B2C3D6E_hP54_163_5h14i_f_h_i_c:Cl-Cs-O-Ta-U, expected Cs2UTa6(Cl33O)3 to be Cs2UTa6(Cl5O)3" +mp-683616,Li5Ti7In(PO4)12,-8.0196940579,-2.9516744634,0.0086458645,0.0086458645,GGA,P1,AB5C48D12E7_aP73_1_a_5a_48a_12a_7a:In-Li-O-P-Ti,73.0,AB5C48D12E7_aP73_1_a_5a_48a_12a_7a:In-Li-O-P-Ti +mp-1218689,Sr2V11NiO22,-8.5914073267,-2.5383728266,0.0376235957,0.0376235957,GGA+U,Amm2,AB22C2D11_oC72_38_a_ab4cde2f_ab_b3cf:Ni-O-Sr-V,36.0,"Invalid WP multiplicities - AB22C2D11_oC72_38_a_ab7c2d2e7f_ab_b5c3f:Ni-O-Sr-V, expected Sr2V23NiO52 to be Sr2V11NiO22" +mp-541734,SrV2(NiO4)2,-7.7245728825,-2.2637199099,0.000305168,0.000305168,GGA+U,I4_1cd,A2B8CD2_tI104_110_b_4b_a_b:Ni-O-Sr-V,52.0,A2B8CD2_tI104_110_b_4b_a_b:Ni-O-Sr-V +mp-1227604,BaSrV4(NiO4)4,-7.7380179852,-2.2683388016,0.0,-9.24007e-05,GGA+U,I-4c2,AB4C16DE4_tI104_120_b_eh_4i_c_i:Ba-Ni-O-Sr-V,52.0,"Invalid WP multiplicities - AB4C16DE4_tI104_120_b_2e2h_16i_c_i:Ba-Ni-O-Sr-V, expected BaSrV4(NiO8)8 to be BaSrV4(NiO4)4" +mp-1208754,SrV5NiO11,-8.3496948086,-2.3884316804,0.1117163939,0.1117163939,GGA+U,P6_3/mmc,AB11CD5_hP36_194_c_fhk_d_eg:Ni-O-Sr-V,36.0,AB11CD5_hP36_194_c_fhk_d_eg:Ni-O-Sr-V +mp-540995,Rb5Nb3OF18,-6.1301139398,-3.3686363247,0.0,-0.2017353459,GGA,I4cm,A18B3CD5_tI108_108_3c3d_ac_a_bd:F-Nb-O-Rb,54.0,A18B3CD5_tI108_108_3c3d_ac_a_bd:F-Nb-O-Rb +mp-1219762,Rb3NaNb2O3F10,-6.0518709129,-2.9770502076,0.0994483784,0.0994483784,GGA,C2,A10BC2D3E3_mC76_5_10c_ab_2c_3c_3c:F-Na-Nb-O-Rb,38.0,"Invalid WP multiplicities - A10BC2D3E3_mC76_5_13c_ab_2c_3c_3c:F-Na-Nb-O-Rb, expected Rb3NaNb2O3F13 to be Rb3NaNb2O3F10" +mp-1113673,Rb2NaNbF6,-5.496763423,-3.0113861947,0.0487420547,0.0487420547,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Na-Nb-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-Na-Nb-Rb +mp-1522710,KHfSnSbO6,-7.342452924,-2.45382359,0.1410586702,0.1410586702,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Hf-K-O-Sb-Sn,10.0,ABC6DE_cF40_216_a_c_f_b_d:Hf-K-O-Sb-Sn +mp-684730,EuTi2CdO6F,-8.1115567168,-2.7876942779,0.3590898164,0.3590898164,GGA,Imma,ABCD6E2_oI44_74_a_c_e_2ej_bd:Cd-Eu-F-O-Ti,22.0,"Invalid WP multiplicities - ABCD6E2_oI44_74_a_c_e_4e3j_2bd:Cd-Eu-F-O-Ti, expected EuTi3CdO16F to be EuTi2CdO6F" +mp-1194841,SrCuH3ClO3,-5.3344431087,-1.7060563251,0.024368236,0.024368236,GGA,Pmn2_1,ABC3D3E_oP54_31_ab_ab_a4b_a4b_ab:Cl-Cu-H-O-Sr,54.0,ABC3D3E_oP54_31_ab_ab_a4b_a4b_ab:Cl-Cu-H-O-Sr +mp-1516648,KEuDySeO6,-7.354520288,-2.4394971548,0.1934538419,0.1934538419,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-K-O-Se,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-K-O-Se +mp-996998,HAuO2,-4.8960155862,-0.7560192194,0.0113865203,0.0113865203,GGA,P-1,ABC2_aP8_2_bd_i_2i:Au-H-O,8.0,"Invalid WP multiplicities - ABC2_aP8_2_bd_i_4i:Au-H-O, expected HAuO4 to be HAuO2" +mp-996955,HAuO2,-4.8762111875,-0.7362148206,0.0311909191,0.0311909191,GGA,C2/m,ABC2_mC8_12_a_d_i:Au-H-O,4.0,ABC2_mC8_12_a_c_i:Au-H-O +mp-996985,HAuO2,-4.8812361825,-0.7412398156000001,0.0261659241,0.0261659241,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:Au-H-O,8.0,"Invalid WP multiplicities - ABC2_oP8_31_a_a_3a:Au-H-O, expected HAuO3 to be HAuO2" +mp-505179,NaH6BrO5,-4.8663858358,-1.1767432627,0.0692360248,0.0692360248,GGA,P-1,AB6CD5_aP26_2_i_6i_i_5i:Br-H-Na-O,26.0,AB6CD5_aP26_2_i_6i_i_5i:Br-H-Na-O +mp-1204007,Na5H4BrO4,-4.5650368129,-1.5990858256,0.0009220213,0.0009220213,GGA,Pnma,AB4C5D4_oP112_62_d_2c3d_a3c3d_2c3d:Br-H-Na-O,112.0,AB4C5D4_oP112_62_d_2c3d_a3c3d_2c3d:Br-H-Na-O +mp-23674,NaH4BrO2,-4.7051113194,-1.4126319161,0.0205658187,0.0205658187,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:Br-H-Na-O,32.0,"Invalid WP multiplicities - AB4CD2_mP32_14_e_4e_e_4e:Br-H-Na-O, expected NaH4BrO4 to be NaH4BrO2" +mp-740746,NaH2BrO5,-4.5923291106,-0.7707236361,0.2235430321,0.2235430321,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Na-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Na-O +mp-1179975,NaH2BrO5,-4.6426198919,-0.8210144175,0.1732522507,0.1732522507,GGA,C2/c,AB2CD5_mC72_15_f_2f_ce_5f:Br-H-Na-O,36.0,AB2CD5_mC72_15_f_2f_ae_5f:Br-H-Na-O +mp-761916,NaH4Au(Br2O)2,-4.0129799167,-1.1569130653,0.00519538,0.00519538,GGA,Pnma,AB4C4DE2_oP48_62_c_4c_2d_c_d:Au-Br-H-Na-O,48.0,"Invalid WP multiplicities - AB4C4DE2_oP48_62_c_13c_5d_c_d:Au-Br-H-Na-O, expected NaH10AuBr13O2 to be NaH4Au(Br2O)2" +mp-684782,CsTiMnOF5,-6.9364025761,-3.330069995,0.0,-0.0155668689,GGA+U,Imma,AB5CDE_oI36_74_e_ej_a_e_c:Cs-F-Mn-O-Ti,18.0,AB5CDE_oI36_74_e_ej_a_e_c:Cs-F-Mn-O-Ti +mp-1026603,BaMg14B,-1.7410351456000002,0.1966078176,0.2615036918,0.2615036918,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Ba-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Ba-Mg, expected BaMg18B to be BaMg14B" +mp-1026509,BaMg14B,-1.6733741875,0.2642687757,0.3291646499,0.3291646499,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Ba-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Ba-Mg, expected BaMg26B to be BaMg14B" +mp-2217557,BaMgTi(BO3)2,-7.7156130364,-2.7652800531,0.3332276926,0.3332276926,GGA,R3,A2BCD6E_hR33_146_2a_a_a_2b_a:B-Ba-Mg-O-Ti,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_146_2a_a_a_3b_a:B-Ba-Mg-O-Ti, expected BaMgTiB2O9 to be BaMgTi(BO3)2" +mp-11772,Ba3Ti3(BO6)2,-8.4518425205,-3.3437200732,0.0268705403,0.0268705403,GGA,P-62m,A2B3C12D3_hP20_189_c_g_fgj_f:B-Ba-O-Ti,20.0,A2B3C12D3_hP20_189_c_g_fgj_f:B-Ba-O-Ti +mp-1019528,Ba2Mg(BO2)6,-8.0482310171,-3.0541907748,0.0062119546,0.0062119546,GGA,R-3,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Mg-O,21.0,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Mg-O +mp-1031319,Mg6TiBO8,-6.5231513219,-2.5387717108,0.470507215,0.470507215,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:B-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:B-Mg-O-Ti, expected Mg6TiBO12 to be Mg6TiBO8" +mp-1031438,Mg6TiBO8,-6.520272815,-2.5358932039,0.4733857219,0.4733857219,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:B-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:B-Mg-O-Ti, expected Mg6TiBO12 to be Mg6TiBO8" +mp-1210684,Mg2TiBO5,-7.8175602692,-3.0943505532,0.0416783727,0.0416783727,GGA,Pbam,AB2C5D_oP36_55_g_adh_3g2h_g:B-Mg-O-Ti,36.0,AB2C5D_oP36_55_g_adh_3g2h_g:B-Mg-O-Ti +mp-1222241,Mg3Ti(BO4)2,-7.8222219014,-3.1344629444,0.0121932859,0.0121932859,GGA,Pmc2_1,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Mg-O-Ti,28.0,A2B3C8D_oP28_26_ab_a2b_4a4b_a:B-Mg-O-Ti +mp-11659,BaTi(BO3)2,-8.509832617,-3.2244943404,0.0027539936,0.0027539936,GGA,R-3,A2BC6D_hR30_148_c_a_f_b:B-Ba-O-Ti,10.0,A2BC6D_hR30_148_c_a_f_b:B-Ba-O-Ti +mp-1016576,BaMg6B,-1.9807352988,0.2942705776,0.404885365,0.404885365,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Ba-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Ba-Mg +mp-1016647,BaMg6B,-1.994206035,0.2807998414,0.3914146288,0.3914146288,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Ba-Mg,8.0,ABC6_oC16_38_a_b_abde:B-Ba-Mg +mp-1040310,Mg30TiBO32,-6.3676451861,-2.9164369979,0.1264129581,0.1264129581,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:B-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:B-Mg-O-Ti, expected Mg110TiBO72 to be Mg30TiBO32" +mp-1040308,Mg30TiBO32,-6.3722551605,-2.9210469722,0.1218029838,0.1218029838,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:B-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:B-Mg-O-Ti, expected Mg90TiBO80 to be Mg30TiBO32" +mp-9259,Ba2Mg(BO3)2,-7.5374973864,-3.1304841373,0.0,-0.0042524009,GGA,R-3m,A2B2CD6_hR33_166_c_c_a_h:B-Ba-Mg-O,11.0,A2B2CD6_hR33_166_c_c_a_h:B-Ba-Mg-O +mp-1222168,Mg5Ti(BO5)2,-7.4477170975,-3.0742413797,0.0584189768,0.0584189768,GGA,Pmc2_1,A2B5C10D_oP36_26_2a_2a3b_6a4b_a:B-Mg-O-Ti,36.0,"Invalid WP multiplicities - A2B5C10D_oP36_26_3a_2a4b_9a6b_a:B-Mg-O-Ti, expected Mg6Ti(BO5)3 to be Mg5Ti(BO5)2" +mp-1222024,MgTiBO4,-8.2033083182,-3.0658913636,0.0688266188,0.0688266188,GGA,Pmc2_1,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Mg-O-Ti,28.0,ABC4D_oP28_26_ab_2a_4a4b_2b:B-Mg-O-Ti +mp-1034026,Mg14TiBO16,-6.4194701238,-2.7905381279,0.2411214847,0.2411214847,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:B-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:B-Mg-O-Ti, expected Mg18TiBO20 to be Mg14TiBO16" +mp-1034024,Mg14TiBO16,-6.4136559572,-2.7847239613,0.2469356513,0.2469356513,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:B-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:B-Mg-O-Ti, expected Mg30TiBO32 to be Mg14TiBO16" +mp-1214529,BaGdCuBO5,-8.571853305,-2.8488378409,0.018433825,0.018433825,GGA,P4bm,ABCDE5_tP18_100_b_a_b_a_b2c:B-Ba-Cu-Gd-O,18.0,ABCDE5_tP18_100_b_a_b_a_b2c:B-Ba-Cu-Gd-O +mp-776159,NbFe3Ni2(PO4)6,-7.9048242547,-2.3972690842,0.0252562605,0.0252562605,GGA+U,R3,A3BC2D24E6_hR108_146_3a_a_2a_8b_2b:Fe-Nb-Ni-O-P,36.0,"Invalid WP multiplicities - A3BC2D24E6_hR108_146_3a_a_2a_22b_2b:Fe-Nb-Ni-O-P, expected NbFe3Ni2(PO11)6 to be NbFe3Ni2(PO4)6" +mp-1221032,NaNbFe(PO4)3,-7.9785269206,-2.6733033873,0.0,-0.0020491871,GGA+U,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Fe-Na-Nb-O-P,36.0,ABCD12E3_hR108_161_a_a_a_4b_b:Fe-Na-Nb-O-P +mp-694909,Li11Fe3B24(PbO24)2,-7.7863573666,-2.6547667991,0.0053285897,0.0053285897,GGA+U,P1,A24B3C11D48E2_aP88_1_24a_3a_11a_48a_2a:B-Fe-Li-O-Pb,88.0,A24B3C11D48E2_aP88_1_24a_3a_11a_48a_2a:B-Fe-Li-O-Pb +mp-1235437,LiFePbO3,-6.2058784767,-1.3839355966,0.4030172094,0.4030172094,GGA+U,P4/mmm,ABC3D_tP6_123_b_d_ae_c:Fe-Li-O-Pb,6.0,"Invalid WP multiplicities - ABC3D_tP6_123_b_d_a2e_c:Fe-Li-O-Pb, expected LiFePbO5 to be LiFePbO3" +mp-1235342,LiFePbO3,-6.3310894,-1.5091465199,0.2778062861,0.2778062861,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:Fe-Li-O-Pb,6.0,ABC3D_hR18_160_a_a_b_a:Fe-Li-O-Pb +mp-775976,LiNiBO3,-7.0114067246,-2.1433204828,0.088671125,0.088671125,GGA+U,P1,ABCD3_aP54_1_9a_9a_9a_27a:B-Li-Ni-O,54.0,ABCD3_aP54_1_9a_9a_9a_27a:B-Li-Ni-O +mp-761322,LiNiBO3,-7.0678217654,-2.1997355235,0.0322560842,0.0322560842,GGA+U,P-1,ABCD3_aP12_2_i_i_i_3i:B-Li-Ni-O,24.0,ABCD3_aP12_2_i_i_i_3i:B-Li-Ni-O +mp-756620,LiNiBO3,-7.0700271763,-2.2019409344,0.0300506733,0.0300506733,GGA+U,Cc,ABCD3_mC48_9_2a_2a_2a_6a:B-Li-Ni-O,24.0,"Invalid WP multiplicities - ABCD3_mC48_9_4a_2a_4a_10a:B-Li-Ni-O, expected LiNi2B2O5 to be LiNiBO3" +mp-776428,LiNiBO3,-7.0325636517,-2.1644774098,0.0675141979,0.0675141979,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Li-Ni-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Li-Ni-O +mp-752427,LiNiBO3,-7.0340597008,-2.165973459,0.0660181488,0.0660181488,GGA+U,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Li-Ni-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Li-Ni-O +mp-755271,LiNiBO3,-7.0848102189,-2.216723977,0.0152676307,0.0152676307,GGA+U,P-6,ABCD3_hP18_174_acf_j_k_2jk:B-Li-Ni-O,36.0,ABCD3_hP18_174_acf_j_k_2jk:B-Li-Ni-O +mp-1176612,LiNiBO3,-7.0260826994,-2.1579964576,0.0739951501,0.0739951501,GGA+U,P-6,ABCD3_hP18_174_acf_k_j_2jk:B-Li-Ni-O,36.0,ABCD3_hP18_174_acf_k_j_2jk:B-Li-Ni-O +mp-775949,Li4Ni(BO3)2,-6.710473031,-2.367800419,0.0408104724,0.0408104724,GGA+U,Pnnm,A2B4CD6_oP26_58_g_2g_a_3g:B-Li-Ni-O,52.0,A2B4CD6_oP26_58_g_2g_a_3g:B-Li-Ni-O +mp-770719,RbLi2Ni2(BO3)3,-6.8840103826,-2.1241852721,0.0768508803,0.0768508803,GGA+U,P2/c,A3B2C2D9E_mP34_13_eg_g_g_e4g_f:B-Li-Ni-O-Rb,34.0,"Invalid WP multiplicities - A3B2C2D9E_mP34_13_e2g_g_g_e8g_f:B-Li-Ni-O-Rb, expected RbLi2Ni2B5O17 to be RbLi2Ni2(BO3)3" +mp-770876,Li3Ni(BO3)2,-6.8211954358,-2.2757103451000003,0.049788246,0.049788246,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_3i_5i_i_11i:B-Li-Ni-O, expected Li5NiB3O11 to be Li3Ni(BO3)2" +mp-770880,Li3Ni(BO3)2,-6.8054915175,-2.2600064267,0.0654921643,0.0654921643,GGA+U,P-1,A2B3CD6_aP24_2_2i_3i_i_6i:B-Li-Ni-O,24.0,"Invalid WP multiplicities - A2B3CD6_aP24_2_3i_5i_i_11i:B-Li-Ni-O, expected Li5NiB3O11 to be Li3Ni(BO3)2" +mp-770786,Li3Ni(BO3)2,-6.8331050888,-2.2876199980000003,0.037878593,0.037878593,GGA+U,P2_1/c,A2B3CD6_mP48_14_2e_3e_e_6e:B-Li-Ni-O,48.0,"Invalid WP multiplicities - A2B3CD6_mP48_14_7e_11e_e_21e:B-Li-Ni-O, expected Li11Ni(BO3)7 to be Li3Ni(BO3)2" +mp-759614,Li2Ni3(BO3)3,-7.1080700665,-2.0659153908,0.0951250135,0.0951250135,GGA+U,P1,A3B2C3D9_aP34_1_6a_4a_6a_18a:B-Li-Ni-O,34.0,A3B2C3D9_mP34_6_2a2bc_2a2b_3c_6a6b3c:B-Li-Ni-O +mp-1177892,Li2Ni3(BO3)3,-7.1090705294,-2.0669158537,0.0941245506,0.0941245506,GGA+U,Pm,A3B2C3D9_mP34_6_2a2bc_2a2b_3c_6a6b3c:B-Li-Ni-O,34.0,A3B2C3D9_mP34_6_2a2bc_2a2b_3c_6a6b3c:B-Li-Ni-O +mp-770921,Li2NiBO4,-6.5472502894,-2.0392341607,0.07955847,0.07955847,GGA+U,P2_1/c,AB2CD4_mP32_14_e_2e_e_4e:B-Li-Ni-O,32.0,"Invalid WP multiplicities - AB2CD4_mP32_14_e_3e_e_11e:B-Li-Ni-O, expected Li3NiBO11 to be Li2NiBO4" +mp-754059,Li2NiBO4,-6.5455740494,-2.0375579207,0.08123471,0.08123471,GGA+U,C222_1,AB2CD4_oC32_20_a_ab_b_2c:B-Li-Ni-O,32.0,AB2CD4_oC32_20_a_ab_b_2c:B-Li-Ni-O +mp-771080,Li2NiBO4,-6.5532946287,-2.0452785001,0.0735141306,0.0735141306,GGA+U,Pna2_1,AB2CD4_oP32_33_a_2a_a_4a:B-Li-Ni-O,32.0,"Invalid WP multiplicities - AB2CD4_oP32_33_a_5a_a_13a:B-Li-Ni-O, expected Li5NiBO13 to be Li2NiBO4" +mp-771081,Li3Ni(BO2)5,-7.5303881745,-2.5635065299,0.0610172053,0.0610172053,GGA+U,P-1,A5B3CD10_aP38_2_5i_3i_i_10i:B-Li-Ni-O,38.0,"Invalid WP multiplicities - A5B3CD10_aP38_2_9i_5i_i_19i:B-Li-Ni-O, expected Li5NiB9O19 to be Li3Ni(BO2)5" +mp-1208623,Tb6Al39V8,-4.9672208358,-0.3152415428,0.0461684954,0.0461684954,GGA,P6_3/mcm,A39B6C8_hP106_193_gij2kl_k_bgh:Al-Tb-V,106.0,A39B6C8_hP106_193_gij2kl_k_bgh:Al-Tb-V +mp-1208556,Tb6Al43V4,-4.564505245,-0.3154188003,0.0,-0.0309840829,GGA,P6_3/mcm,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tb-V,106.0,A43B6C4_hP106_193_ghij2kl_k_bg:Al-Tb-V +mp-1210894,Na3TbV2O8,-7.4126687543,-2.6738641964000003,0.0138759754,0.0138759754,GGA+U,Cc,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Tb-V,84.0,A3B8CD2_mC168_9_9a_24a_3a_6a:Na-O-Tb-V +mp-1210350,Na3TbV2O8,-7.3638276286,-2.6250230707,0.0627171011,0.0627171011,GGA+U,P-3m1,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Tb-V,14.0,A3B8CD2_hP14_164_ad_di_b_d:Na-O-Tb-V +mp-652791,Re2SnC10(ClO5)2,-7.4474971554,-0.4735274921,0.8032551735,0.8032551735,GGA,P2_1/c,A10B2C10D2E_mP100_14_10e_2e_10e_2e_e:C-Cl-O-Re-Sn,100.0,"Invalid WP multiplicities - A10B2C10D2E_mP100_14_39e_3e_38e_4e_e:C-Cl-O-Re-Sn, expected Re4SnC39Cl3O38 to be Re2SnC10(ClO5)2" +mp-1522827,CaPrNbVO6,-8.610560642,-3.0453757407,0.1679725777,0.1679725777,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Pr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Pr-V +mp-1044725,CaPrV2O6,-8.520708499,-3.0572634947,0.0149886627,0.0149886627,GGA+U,Pmn2_1,AB6CD2_oP20_31_a_2a2b_a_b:Ca-O-Pr-V,20.0,"Invalid WP multiplicities - AB6CD2_oP20_31_a_4a4b_a_b:Ca-O-Pr-V, expected CaPrV2O12 to be CaPrV2O6" +mp-1244685,CaTiMn(PO4)3,-8.180720195,-2.9216491259,0.004273392,0.004273392,GGA+U,Cc,ABC12D3E_mC72_9_a_a_12a_3a_a:Ca-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_mC72_9_a_a_20a_5a_a:Ca-Mn-O-P-Ti, expected CaTiMn(PO4)5 to be CaTiMn(PO4)3" +mp-1044277,CaTiMn(PO4)3,-8.1702342733,-2.9111632042,0.0147593137,0.0147593137,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Mn-O-P-Ti, expected CaTiMn(PO18)3 to be CaTiMn(PO4)3" +mp-1227585,CaTi8Mn(PO4)12,-8.426173629,-3.0442844929,0.0025879027,0.0025879027,GGA+U,R-3,ABC48D12E8_hR210_148_a_b_8f_2f_4c:Ca-Mn-O-P-Ti,70.0,"Invalid WP multiplicities - ABC48D12E8_hR210_148_a_b_44f_11f_6c:Ca-Mn-O-P-Ti, expected CaTi12Mn(PO4)66 to be CaTi8Mn(PO4)12" +mp-1522132,NaPrZrVO6,-8.35100551,-3.0094885084,0.1864632472,0.1864632472,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-V-Zr,,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Pr-V-Zr +mp-1022825,Mg6MnBi,-2.7519807044,0.0735423859,0.1550576557,0.1550576557,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Mn, expected Mg12MnBi to be Mg6MnBi" +mp-1022940,Mg6MnBi,-2.7536487081,0.0718743821,0.153389652,0.153389652,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Mn, expected Mg12MnBi to be Mg6MnBi" +mp-1037840,Mg30MnBiO32,-6.3098259316,-2.8831861709,0.0851363711,0.0851363711,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Bi-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Bi-Mg-Mn-O, expected Mg110MnBiO72 to be Mg30MnBiO32" +mp-1037841,Mg30MnBiO32,-6.3016653108,-2.8750255501,0.0932969919,0.0932969919,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Bi-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Bi-Mg-Mn-O, expected Mg90MnBiO80 to be Mg30MnBiO32" +mp-1044167,MgMnBiO5,-6.8462930734,-1.9292645699,0.1075772722,0.1075772722,GGA+U,P2_1/c,ABCD5_mP32_14_e_e_e_5e:Bi-Mg-Mn-O,32.0,"Invalid WP multiplicities - ABCD5_mP32_14_e_e_e_15e:Bi-Mg-Mn-O, expected MgMnBiO15 to be MgMnBiO5" +mp-1042632,MgMnBiO5,-6.7844997866,-1.867471283,0.1693705591,0.1693705591,GGA+U,Pbca,ABCD5_oP64_61_c_c_c_5c:Bi-Mg-Mn-O,64.0,"Invalid WP multiplicities - ABCD5_oP64_61_c_c_c_31c:Bi-Mg-Mn-O, expected MgMnBiO31 to be MgMnBiO5" +mp-2228987,MgMn2V2(BiO5)2,-7.7189467618,-2.1165945178,0.1110601027,0.1110601027,GGA+U,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Bi-Mg-Mn-O-V,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:Bi-Mg-Mn-O-V +mp-2241060,MgMn2V2(BiO5)2,-7.6335830959,-2.031230852,0.1964237686,0.1964237686,GGA+U,P-1,A2BC2D10E2_aP17_2_i_a_i_5i_i:Bi-Mg-Mn-O-V,17.0,"Invalid WP multiplicities - A2BC2D10E2_aP17_2_i_a_i_9i_i:Bi-Mg-Mn-O-V, expected MgMn2V2(BiO9)2 to be MgMn2V2(BiO5)2" +mp-1028078,Mg14MnBi,-2.1806399194,0.0322616508,0.085311195,0.085311195,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Mn, expected Mg18MnBi to be Mg14MnBi" +mp-1028071,Mg14MnBi,-2.1784592688,0.0344423014,0.0874918456,0.0874918456,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Mn, expected Mg26MnBi to be Mg14MnBi" +mp-558892,MnVBiO5,-8.0052481475,-2.1527663915,0.0,-0.0277088715,GGA+U,P-1,ABC5D_aP16_2_i_i_5i_i:Bi-Mn-O-V,16.0,ABC5D_aP16_2_i_i_5i_i:Bi-Mn-O-V +mp-2218518,MgMn3BiO8,-7.4338835223,-1.8569354649,0.220119436,0.220119436,GGA+U,C2/m,ABC3D8_mC26_12_a_b_cf_2ij:Bi-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_mC26_12_b_a_cf_4i3j:Bi-Mg-Mn-O, expected MgMn3BiO20 to be MgMn3BiO8" +mp-2227822,MgMn3BiO8,-7.2041728731,-1.6272248157,0.4498300852,0.4498300852,GGA+U,R3m,ABC3D8_hR39_160_a_a_b_2a2b:Bi-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_hR39_160_a_a_b_2a4b:Bi-Mg-Mn-O, expected MgMn3BiO14 to be MgMn3BiO8" +mp-2218295,MgMn3BiO8,-7.5455268692,-1.9685788118,0.108476089,0.108476089,GGA+U,R-3m,ABC3D8_hR39_166_a_b_d_ch:Bi-Mg-Mn-O,13.0,"Invalid WP multiplicities - ABC3D8_hR39_166_a_b_d_2c3h:Bi-Mg-Mn-O, expected MgMn3BiO22 to be MgMn3BiO8" +mp-1036238,Mg14MnBiO16,-6.2886021306,-2.7088069899,0.1737977947,0.1737977947,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Bi-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Bi-Mg-Mn-O, expected Mg18MnBiO20 to be Mg14MnBiO16" +mp-1036154,Mg14MnBiO16,-6.2941018287,-2.7143066881,0.1682980966,0.1682980966,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Bi-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Bi-Mg-Mn-O, expected Mg30MnBiO32 to be Mg14MnBiO16" +mp-1032779,Mg6MnBiO8,-6.2780600681,-2.3919541674,0.3192151025,0.3192151025,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Bi-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Bi-Mg-Mn-O, expected Mg6MnBiO12 to be Mg6MnBiO8" +mp-1032809,Mg6MnBiO8,-6.2964859625,-2.4103800617,0.3007892081,0.3007892081,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Bi-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Bi-Mg-Mn-O, expected Mg6MnBiO12 to be Mg6MnBiO8" +mp-19314,Mn4Be3Si3SO12,-8.3109530165,-2.7614326576,0.0,-0.0564513308,GGA+U,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Mn-O-S-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-Mn-O-S-Si +mp-771979,LiSiSbCO7,-7.2886589218,-2.2596835938,0.0775814452,0.0775814452,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-Sb-Si,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-Sb-Si, expected LiSiSbCO13 to be LiSiSbCO7" +mp-771304,Li3SiSbCO7,-6.880474915,-2.331507658,0.0876217138,0.0876217138,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-Sb-Si,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Li-O-Sb-Si, expected Li4SiSbCO13 to be Li3SiSbCO7" +mp-1043730,CaTiCu(PO4)3,-7.6938208503,-2.7160169269,0.0306942571,0.0306942571,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Cu-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Cu-O-P-Ti, expected CaTiCu(PO18)3 to be CaTiCu(PO4)3" +mp-1202728,K2ZrSi3O11,-7.3841644888,-2.5925157572,0.2528539213,0.2528539213,GGA,C222_1,A2B11C3D_oC68_20_c_a5c_bc_a:K-O-Si-Zr,34.0,A2B11C3D_oC68_20_c_a5c_bc_a:K-O-Si-Zr +mp-6600,K2Zr(SiO3)3,-7.9957290367,-3.2247523023,0.0,-0.0188408302,GGA,P6_3/m,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Zr,30.0,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Zr +mp-1226678,Cs3KZr2(Si3O10)2,-7.6600394292,-2.8982366252,0.1249397959,0.1249397959,GGA,P2_1,A3BC20D6E2_mP64_4_3a_a_20a_6a_2a:Cs-K-O-Si-Zr,64.0,A3BC20D6E2_mP64_4_3a_a_20a_6a_2a:Cs-K-O-Si-Zr +mp-729333,K2ZrSi3O10,-7.6763403009,-2.894381568,0.1288237154,0.1288237154,GGA,P2_1/c,A2B10C3D_mP64_14_2e_10e_3e_e:K-O-Si-Zr,64.0,A2B10C3D_mP64_14_2e_10e_3e_e:K-O-Si-Zr +mp-1195938,K2ZrSi3O10,-7.6757733262,-2.8938145933,0.1293906901,0.1293906901,GGA,P2_12_12_1,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Zr,64.0,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Zr +mp-1019792,K2ZrSi2O7,-7.8753651447,-3.1882021811,0.0021791368,-0.0258537249,GGA,C2/m,A2B7C2D_mC192_12_4i2j_gh6i10j_4i2j_2ij:K-O-Si-Zr,96.0,A2B7C2D_mC192_12_4i2j_gh6i10j_4i2j_2ij:K-O-Si-Zr +mp-1198539,K2ZrSi2O7,-7.4367574707,-2.7495945072,0.4407868107,0.4127539491,GGA,C2/m,A2B7C2D_mC192_12_4i2j_gh6i10j_4i2j_2ij:K-O-Si-Zr,96.0,A2B7C2D_mC192_12_4i2j_gh6i10j_4i2j_2ij:K-O-Si-Zr +mp-559489,K2ZrSi2O7,-7.8775442815,-3.1903813179,0.0,-0.0280328616,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:K-O-Si-Zr,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_4e_27e_2e_e:K-O-Si-Zr, expected K4ZrSi2O27 to be K2ZrSi2O7" +mp-581877,Cs2Zr(Si2O5)3,-8.1298106476,-3.2510296384,0.0,-0.0100730714,GGA,C2/m,A2B15C6D_mC144_12_3i_ce7i7j_3i3j_bi:Cs-O-Si-Zr,72.0,"Invalid WP multiplicities - A2B15C6D_mC144_12_5i_ae14i27j_5i11j_ci:Cs-O-Si-Zr, expected Cs10Zr3Si54O139 to be Cs2Zr(Si2O5)3" +mp-6694,Cs2Zr(SiO3)3,-7.967021778,-3.2247112536,0.0,-0.050184717,GGA,P6_3/m,A2B9C3D_hP30_176_f_hi_h_b:Cs-O-Si-Zr,30.0,A2B9C3D_hP30_176_f_hi_h_b:Cs-O-Si-Zr +mp-722766,CaHgH16(BrO2)4,-4.7241633765,-1.311546044,0.0442545537,0.0442545537,GGA,Cmce,A4BC16DE8_oC240_64_2fg_d_8g_f_4g:Br-Ca-H-Hg-O,120.0,"Invalid WP multiplicities - A4BC16DE8_oC240_64_5f2g_d_31g_f_13g:Br-Ca-H-Hg-O, expected CaHgH62Br9O26 to be CaHgH16(BrO2)4" +mp-1205470,CaHgH16(BrO2)4,-4.749614309,-1.3369969765,0.0188036212,0.0188036212,GGA,Cmce,A4BC16DE8_oC240_64_2fg_d_8g_f_4g:Br-Ca-H-Hg-O,120.0,A4BC16DE8_oC240_64_2fg_d_8g_f_4g:Br-Ca-H-Hg-O +mp-1520117,KSrLaSeO6,-6.505198848,-2.414004523,0.141398158,0.141398158,GGA,F-43m,ABC6DE_cF40_216_c_a_f_b_d:K-La-O-Se-Sr,10.0,ABC6DE_cF40_216_c_a_f_b_d:K-La-O-Se-Sr +mp-1212886,K2NbAgS2,-4.3454228183,-0.4408297065,0.5992019781,0.5992019781,GGA,Fddd,AB2CD2_oF96_70_c_h_d_h:Ag-K-Nb-S,,AB2CD2_oF96_70_c_h_d_h:Ag-K-Nb-S +mp-672158,K2NbAgS4,-5.1965699156,-1.234012615,0.01361533,0.0094975183,GGA,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Ag-K-Nb-S,16.0,AB2CD4_aP16_1_2a_4a_2a_8a:Ag-K-Nb-S +mp-15214,K2NbAgS4,-5.2101852456,-1.247627945,0.0,-0.0041178117,GGA,Fddd,AB2CD4_oF64_70_a_e_b_h:Ag-K-Nb-S,16.0,AB2CD4_oF64_70_a_e_b_h:Ag-K-Nb-S +mp-581115,K3Nb2Ag3S8,-5.1958087044,-1.1256165877,0.0,-0.0227709003,GGA,C2/c,A3B3C2D8_mC64_15_ef_af_f_4f:Ag-K-Nb-S,32.0,"Invalid WP multiplicities - A3B3C2D8_mC64_15_ef_2a2f_f_12f:Ag-K-Nb-S, expected K6Nb2(AgS8)3 to be K3Nb2Ag3S8" +mp-2229245,K4MgNb2(AgS4)2,-4.9496682841,-1.1260684688,0.1866958698,0.1866958698,GGA,C2,A2B4CD2E8_mC34_5_ab_2a2b_a_ab_4c:Ag-K-Mg-Nb-S,17.0,"Invalid WP multiplicities - A2B4CD2E8_mC34_5_ab_2a2b_a_ab_5c:Ag-K-Mg-Nb-S, expected K4MgNb2(AgS5)2 to be K4MgNb2(AgS4)2" +mp-2229181,K4MgNb2(AgS4)2,-4.9240001776,-1.1004003624,0.2123639763,0.2123639763,GGA,C2,A2B4CD2E8_mC34_5_ab_2c_a_ab_4c:Ag-K-Mg-Nb-S,17.0,"Invalid WP multiplicities - A2B4CD2E8_mC34_5_ab_4c_a_ab_8c:Ag-K-Mg-Nb-S, expected K8MgNb2(AgS8)2 to be K4MgNb2(AgS4)2" +mp-1189635,Zn3Sn3Se9NO4,-4.280160711,-0.5104407378,0.5099955420000001,0.5099955420000001,GGA,P1,AB4C9D3E3_aP20_1_a_4a_9a_3a_3a:N-O-Se-Sn-Zn,20.0,AB4C9D3E3_aP20_1_a_4a_9a_3a_3a:N-O-Se-Sn-Zn +mp-758749,Li4V2Fe3Ni3O16,-7.0584545354,-1.7834189405,0.1006991126,0.1006991126,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Ni-O-V, expected Li4V2Fe3Ni3O20 to be Li4V2Fe3Ni3O16" +mp-780735,Li4V3Fe2Ni3O16,-7.2214216482,-1.924461594,0.1051767094,0.1051767094,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-V,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-V +mp-1104978,RbCoCl3O2,-4.250790705,-0.8896708093000001,0.3374120951,0.3374120951,GGA+U,C2/c,A3BC2D_mC28_15_ef_a_f_c:Cl-Co-O-Rb,14.0,A3BC2D_mC28_15_ef_c_f_a:Cl-Co-O-Rb +mp-571242,Rb2CoCl4,-4.1190600196,-1.7671267939000002,0.0013371836,-0.0171179889,GGA,Pna2_1,A4BC2_oP28_33_4a_a_2a:Cl-Co-Rb,28.0,"Invalid WP multiplicities - A4BC2_oP28_33_10a_a_3a:Cl-Co-Rb, expected Rb3CoCl10 to be Rb2CoCl4" +mp-23076,Rb2CoCl4,-4.1203972032,-1.7684639775000002,0.0,-0.0184551725,GGA,Pnma,A4BC2_oP28_62_2cd_c_2c:Cl-Co-Rb,28.0,A4BC2_oP28_62_2cd_c_2c:Cl-Co-Rb +mp-562140,Rb3CoNCl4O3,-5.0631856265,-1.6781333172,0.0,-0.0539404629,GGA+U,Pnma,A4BCD3E3_oP48_62_2cd_c_c_cd_cd:Cl-Co-N-O-Rb,48.0,"Invalid WP multiplicities - A4BCD3E3_oP48_62_6c3d_c_c_2c3d_3c4d:Cl-Co-N-O-Rb, expected Rb11CoN(Cl3O2)4 to be Rb3CoNCl4O3" +mp-1209307,Rb3CoCl5,-4.0156807383,-1.8720581481,0.0022743931,0.0022743931,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Cl-Co-Rb,18.0,A5BC3_tI36_140_cl_b_ah:Cl-Co-Rb +mp-27707,RbCoCl3,-4.257212357,-1.5303199875,0.0021440073,0.0021440073,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Co-Rb,10.0,A3BC_hP10_194_h_a_c:Cl-Co-Rb +mp-1190652,Eu2CuTe2(SO7)2,-7.2699274176,-2.1067672391,0.0,-0.044867054,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Eu-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Eu-O-S-Te +mp-643797,K10Hf3Mo12PbO48,-6.7199140661,-1.1486024027,1.2014041007,1.2014041007,GGA+U,R-3,A3B10C12D48E_hR222_148_ac_2cf_2f_8f_b:Hf-K-Mo-O-Pb,74.0,"Invalid WP multiplicities - A3B10C12D48E_hR222_148_a2c_3c3f_7f_45f_b:Hf-K-Mo-O-Pb, expected K24Hf5Mo42PbO270 to be K10Hf3Mo12PbO48" +mp-1205471,K10Hf3Mo12PbO48,-7.9160954972,-2.3447838338,0.0052226696,0.0052226696,GGA+U,R-3,A3B10C12D48E_hR222_148_ac_2cf_2f_8f_b:Hf-K-Mo-O-Pb,74.0,A3B10C12D48E_hR222_148_ac_2cf_2f_8f_b:Hf-K-Mo-O-Pb +mp-1522323,KBaSmMnO6,-7.0278109985,-2.3688002403,0.1577388391,0.1577388391,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-K-Mn-O-Sm,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-K-Mn-O-Sm, expected K2BaSmMnO12 to be KBaSmMnO6" +mp-1522193,KBaSmMnO6,-7.038757916,-2.3797471578,0.1467919216,0.1467919216,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Mn-O-Sm,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Mn-O-Sm +mp-1227411,BaSrNiWO6,-7.772262052,-2.5695752949,0.0120658812,0.0120658812,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ni-O-Sr-W,20.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Ni-O-Sr-W +mp-1217127,Ti2MnFeO6,-9.151362551,-2.8410472707,0.00187453,0.00187453,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Fe-Mn-O-Ti,10.0,ABC6D2_aP10_1_a_a_6a_2a:Fe-Mn-O-Ti +mp-1221992,MnFe2(PO4)3,-8.0079664881,-2.3578426121,0.0134604231,0.0134604231,GGA+U,Pm,A2BC12D3_mP72_6_2a3c_2bc_4a4b20c_2a2b4c:Fe-Mn-O-P,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_6_2a5c_2bc_4a4b36c_2a2b6c:Fe-Mn-O-P, expected MnFe3(PO5)4 to be MnFe2(PO4)3" +mp-849505,MnFe2(PO4)3,-7.9778210414,-2.3276971654,0.0436058697,0.0436058697,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_13f_e:Fe-Mn-O-P, expected MnFe2(PO26)3 to be MnFe2(PO4)3" +mp-767833,MnFe(PO4)2,-8.042527365,-2.3731814312,0.0161072508,0.0161072508,GGA+U,Pm,ABC8D2_mP72_6_5ab_a5b_12a12b12c_6a6b:Fe-Mn-O-P,72.0,ABC8D2_mP72_6_5ab_a5b_12a12b12c_6a6b:Fe-Mn-O-P +mp-756899,MnFe(PO4)2,-8.0465563142,-2.3772103804,0.0120783017,0.0120783017,GGA+U,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Fe-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_mP24_11_e_e_7e4f_3e:Fe-Mn-O-P, expected MnFe(PO5)3 to be MnFe(PO4)2" +mp-764401,MnFe(PO4)2,-8.0479169142,-2.3785709804,0.0107177017,0.0107177017,GGA+U,Pmc2_1,ABC8D2_oP24_26_a_b_2a2b2c_ab:Fe-Mn-O-P,24.0,ABC8D2_oP24_26_a_b_2a2b2c_ab:Fe-Mn-O-P +mp-764402,MnFe(PO4)2,-8.04466836,-2.3753224262,0.0139662558,0.0139662558,GGA+U,Pmn2_1,ABC8D2_oP24_31_a_a_4a2b_2a:Fe-Mn-O-P,24.0,"Invalid WP multiplicities - ABC8D2_oP24_31_a_a_8a2b_2a:Fe-Mn-O-P, expected MnFe(PO6)2 to be MnFe(PO4)2" +mp-773671,MnFe(PO4)2,-8.0221236967,-2.3527777629,0.0365109192,0.0365109192,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Fe-Mn-O-P, expected MnFe(PO10)2 to be MnFe(PO4)2" +mp-773672,MnFe(PO4)2,-7.9826573919,-2.3133114582,0.0759772239,0.0759772239,GGA+U,R3,ABC8D2_hR108_146_3a_3a_8b_2b:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - ABC8D2_hR108_146_3a_3a_20b_2b:Fe-Mn-O-P, expected MnFe(PO10)2 to be MnFe(PO4)2" +mp-755215,Ti2Mn3Fe3O16,-8.1244652158,-1.9647105109,0.1221199556,0.1221199556,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Fe-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Fe-Mn-O-Ti, expected Ti2Mn3Fe3O20 to be Ti2Mn3Fe3O16" +mp-766418,MnFe7(PO4)8,-7.953284919,-2.3271886153,0.0216323612,0.0216323612,GGA+U,Pm,A7BC32D8_mP48_6_a2b2c_a_4a4b12c_2a2b2c:Fe-Mn-O-P,48.0,"Invalid WP multiplicities - A7BC32D8_mP48_6_a2b2c_a_4a4b16c_2a2b2c:Fe-Mn-O-P, expected MnFe7(PO5)8 to be MnFe7(PO4)8" +mp-699376,TiMnFe(PO4)3,-8.3139386875,-2.6957331001,0.0,-0.0022821578,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Fe-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Fe-Mn-O-P-Ti, expected TiMnFe(PO18)3 to be TiMnFe(PO4)3" +mp-756786,Mn3Fe(PO4)4,-8.1048086313,-2.4066296107,0.0096375417,0.0096375417,GGA+U,Pm,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Fe-Mn-O-P,24.0,AB3C16D4_mP24_6_a_a2b_4a4b4c_2a2b:Fe-Mn-O-P +mp-766386,Mn3Fe(PO4)4,-8.1053819629,-2.4072029424,0.00906421,0.00906421,GGA+U,Cm,AB3C16D4_mC96_8_2a_2a2b_8a12b_4a2b:Fe-Mn-O-P,48.0,"Invalid WP multiplicities - AB3C16D4_mC96_8_2a_2a2b_8a16b_4a2b:Fe-Mn-O-P, expected Mn3Fe(PO5)4 to be Mn3Fe(PO4)4" +mp-774935,Ti3Mn2Fe(PO4)6,-8.4321666167,-2.8299201735,0.0124133423,0.0124133423,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Fe-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Fe-Mn-O-P-Ti, expected Ti3Mn2Fe(PO11)6 to be Ti3Mn2Fe(PO4)6" +mp-1223299,Mn2Fe(PO4)3,-8.0836273568,-2.3950593652,0.0122149637,0.0122149637,GGA+U,Pm,AB2C12D3_mP72_6_4a_2a6b_12a12b12c_6a6b:Fe-Mn-O-P,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_6_4a_2a6b_12a12b24c_6a6b:Fe-Mn-O-P, expected Mn2Fe(PO6)3 to be Mn2Fe(PO4)3" +mp-776759,Mn2Fe(PO4)3,-8.0046973264,-2.3161293348,0.0911449942,0.0911449942,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_13f_e:Fe-Mn-O-P, expected Mn2Fe(PO26)3 to be Mn2Fe(PO4)3" +mp-1101300,TiMn3Fe2(PO4)6,-8.1067645172,-2.4533777277,0.0981259868,0.0981259868,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Fe-Mn-O-P-Ti, expected TiMn3Fe2(PO11)6 to be TiMn3Fe2(PO4)6" +mp-1199538,Mn2FeP2O11,-7.7412524994,-1.9891129599,0.1416057021,0.1416057021,GGA+U,Pbcn,AB2C11D2_oP64_60_a_d_c5d_d:Fe-Mn-O-P,64.0,AB2C11D2_oP64_60_a_d_c5d_d:Fe-Mn-O-P +mp-756609,MnFe3(PO4)4,-7.9831542208,-2.3426413738000003,0.0196688379,0.0196688379,GGA+U,Pm,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Fe-Mn-O-P,24.0,A3BC16D4_mP24_6_a2b_a_4a4b4c_2a2b:Fe-Mn-O-P +mp-766435,MnFe3(PO4)4,-7.9835531969,-2.3430403498,0.0192698619,0.0192698619,GGA+U,Pc,A3BC16D4_mP48_7_3a_a_16a_4a:Fe-Mn-O-P,48.0,"Invalid WP multiplicities - A3BC16D4_mP48_7_5a_a_32a_7a:Fe-Mn-O-P, expected MnFe5P7O32 to be MnFe3(PO4)4" +mp-766414,MnFe3(PO4)4,-7.9833478304,-2.3428349834,0.0194752283,0.0194752283,GGA+U,Pmn2_1,A3BC16D4_oP48_31_ab_a_4a6b_2ab:Fe-Mn-O-P,48.0,"Invalid WP multiplicities - A3BC16D4_oP48_31_ab_a_7a17b_4ab:Fe-Mn-O-P, expected MnFe3P6O41 to be MnFe3(PO4)4" +mp-775993,TiMn2Fe3(PO4)6,-8.1471974814,-2.5130327497,0.0204853179,0.0204853179,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Mn-O-P-Ti, expected TiMn2Fe3(PO11)6 to be TiMn2Fe3(PO4)6" +mp-1181160,MnFe2(PO8)2,-6.678468955,-1.1510555214,0.441516636,0.441516636,GGA+U,P-1,A2BC16D2_aP42_2_2i_i_16i_2i:Fe-Mn-O-P,42.0,A2BC16D2_aP42_2_2i_i_16i_2i:Fe-Mn-O-P +mp-1201180,MnFe2(PO8)2,-6.6670444519,-1.1396310183,0.452941139,0.452941139,GGA+U,P-1,A2BC16D2_aP42_2_2i_i_16i_2i:Fe-Mn-O-P,42.0,A2BC16D2_aP42_2_2i_i_16i_2i:Fe-Mn-O-P +mp-1222030,MnFe2P2O11,-7.6132294173,-1.904339508,0.1859114485,0.1859114485,GGA+U,Pna2_1,A2BC11D2_oP64_33_2a_a_11a_2a:Fe-Mn-O-P,64.0,"Invalid WP multiplicities - A2BC11D2_oP64_33_2a_a_36a_7a:Fe-Mn-O-P, expected MnFe2P7O36 to be MnFe2P2O11" +mp-849792,Mn11Fe(PO4)12,-8.1452653663,-2.4278642879,0.0063885114,0.0063885114,GGA+U,Pm,AB11C48D12_mP72_6_a_a2b4c_4a4b20c_2a2b4c:Fe-Mn-O-P,72.0,"Invalid WP multiplicities - AB11C48D12_mP72_6_a_a2b4c_4a4b27c_2a2b4c:Fe-Mn-O-P, expected Mn11Fe(P6O31)2 to be Mn11Fe(PO4)12" +mp-778021,Mn7Fe(PO4)12,-7.6943192163,-2.1795425035,0.0761157902,0.0761157902,GGA+U,P1,AB7C48D12_aP68_1_a_7a_48a_12a:Fe-Mn-O-P,68.0,AB7C48D12_aP68_1_a_7a_48a_12a:Fe-Mn-O-P +mp-774347,Mn3Fe(PO4)6,-7.6799441012,-2.1753437719,0.0707927088,0.0707927088,GGA+U,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Fe-Mn-O-P,34.0,"Invalid WP multiplicities - AB3C24D6_hR102_146_a_3a_20b_2b:Fe-Mn-O-P, expected Mn3Fe(PO10)6 to be Mn3Fe(PO4)6" +mp-771947,Mn5Fe(PO4)6,-8.0931470903,-2.3853570408,0.039902935,0.039902935,GGA+U,R3,AB5C24D6_hR108_146_a_5a_8b_2b:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB5C24D6_hR108_146_a_5a_20b_2b:Fe-Mn-O-P, expected Mn5Fe(PO10)6 to be Mn5Fe(PO4)6" +mp-771311,MnFe5(PO4)6,-7.9220962006,-2.2911943824,0.0621230058,0.0621230058,GGA+U,R3,A5BC24D6_hR108_146_5a_a_8b_2b:Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A5BC24D6_hR108_146_5a_a_20b_2b:Fe-Mn-O-P, expected MnFe5(PO10)6 to be MnFe5(PO4)6" +mp-774915,Ti3MnFe2(PO4)6,-8.3705940294,-2.7875696441,0.0245868448,0.0245868448,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Fe-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Fe-Mn-O-P-Ti, expected Ti3MnFe2(P3O22)3 to be Ti3MnFe2(PO4)6" +mp-861983,Ti2MnFe,-8.694203462499999,-0.3384483286,0.0,-0.0107772344,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Fe-Mn-Ti,4.0,ABC2_cF16_225_a_b_c:Fe-Mn-Ti +mp-1180291,MnFe2(PO9)2,-6.2604646187,-0.7835489870000001,0.6705386349,0.6705386349,GGA+U,P-1,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P,23.0,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P +mp-1191558,MnFe2(PO9)2,-6.4972091204,-1.0202934888,0.4337941332,0.4337941332,GGA+U,P-1,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P,23.0,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P +mp-1192021,MnFe2(PO9)2,-6.246212993,-0.7692973614,0.6847902605,0.6847902605,GGA+U,P-1,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P,23.0,A2BC18D2_aP23_2_ac_f_9i_i:Fe-Mn-O-P +mp-1202961,MnFe2(PO9)2,-6.0931215807,-0.616205949,0.8378816729,0.8378816729,GGA+U,P-1,A2BC18D2_aP46_2_bdi_i_18i_2i:Fe-Mn-O-P,46.0,A2BC18D2_aP46_2_bdi_i_18i_2i:Fe-Mn-O-P +mp-1180185,MnFe2(PO9)2,-6.2679174233,-0.7910017916000001,0.6630858303,0.6630858303,GGA+U,P2_1/c,A2BC18D2_mP46_14_e_a_9e_e:Fe-Mn-O-P,46.0,A2BC18D2_mP46_14_e_a_9e_e:Fe-Mn-O-P +mp-1222219,Mn3Fe3(PO4)4,-8.3149236806,-2.4035260301,0.0188473581,0.0188473581,GGA+U,P2_1,A3B3C16D4_mP52_4_3a_3a_16a_4a:Fe-Mn-O-P,52.0,A3B3C16D4_mP52_4_3a_3a_16a_4a:Fe-Mn-O-P +mp-1224568,K2Mn5Si12O31,-8.1964599671,-2.8668191518,0.078131286,0.078131286,GGA+U,P-62c,A2B5C31D12_hP100_190_ac_fg_d2h4i_2i:K-Mn-O-Si,100.0,A2B5C31D12_hP100_190_ac_fg_d2h4i_2i:K-Mn-O-Si +mp-1211913,K3Mn5(Si2O5)6,-8.1649664472,-2.9120514272,0.0212027762,0.0212027762,GGA+U,P6/mcc,A3B5C30D12_hP100_192_ad_cf_l2m_m:K-Mn-O-Si,100.0,A3B5C30D12_hP100_192_ad_cf_l2m_m:K-Mn-O-Si +mp-554911,K2Mn2Zn4Si4O15,-7.0529130233,-2.5534535527,0.0038708969,0.0038708969,GGA+U,Imm2,A2B2C15D4E4_oI54_44_c_d_a2cd2e_cd_e:K-Mn-O-Si-Zn,54.0,A2B2C15D4E4_oI54_44_c_d_a2cd2e_cd_e:K-Mn-O-Si-Zn +mp-1260941,KMn2Zn3(Si2O5)6,-7.8662647406,-2.9346368644,0.0149943258,0.0149943258,GGA+U,C2/c,AB2C30D12E3_mC192_15_e_f_15f_6f_ef:K-Mn-O-Si-Zn,96.0,AB2C30D12E3_aP96_1_2a_4a_60a_24a_6a:K-Mn-O-Si-Zn +mp-704116,KMn2Zn3(Si2O5)6,-7.774608877,-2.8429810008,0.1066501895,0.1066501895,GGA+U,P6cc,AB2C30D12E3_hP96_184_a_b_5d_2d_c:K-Mn-O-Si-Zn,96.0,"Invalid WP multiplicities - AB2C30D12E3_hP96_192_a_c_11l29m_m_f:K-Mn-O-Si-Zn, expected KMn2Zn3(Si2O69)6 to be KMn2Zn3(Si2O5)6" +mp-1235780,LiLa4Ni3WO12,-7.7949497448,-2.4943899309,0.3005006181,0.3005006181,GGA+U,P2/m,A4BC3D12E_mP21_10_il_a_cde_jk2m2n_f:La-Li-Ni-O-W,21.0,"Invalid WP multiplicities - A4BC3D12E_mP21_10_2j2l_d_abc_2i2k4m4n_f:La-Li-Ni-O-W, expected LiLa8Ni3WO24 to be LiLa4Ni3WO12" +mp-1235248,LiLa4Ni3WO12,-7.7886020348,-2.4880422209,0.3068483281,0.3068483281,GGA+U,Pmmm,A4BC3D12E_oP21_47_il_a_cdf_jkuv_e:La-Li-Ni-O-W,21.0,"Invalid WP multiplicities - A4BC3D12E_mP21_10_2j2l_d_abf_2i2k4m4n_c:La-Li-Ni-O-W, expected LiLa8Ni3WO24 to be LiLa4Ni3WO12" +mp-761203,Li3Fe10O7F9,-6.9949657152,-2.0895480467,0.0854608367,0.0854608367,GGA+U,P1,A9B10C3D7_aP29_1_9a_10a_3a_7a:F-Fe-Li-O,29.0,A9B10C3D7_aP29_1_9a_10a_3a_7a:F-Fe-Li-O +mp-754295,Li3FeOF4,-5.7396114889,-2.7630121121,0.0660056692,0.0660056692,GGA+U,Cm,A4BC3D_mC18_8_4a_a_3a_a:F-Fe-Li-O,18.0,A4BC3D_mC18_8_4a_a_3a_a:F-Fe-Li-O +mp-777195,LiFe7(O3F5)2,-6.7736721533,-2.1905891,0.1083726188,0.1083726188,GGA+U,P2,A10B7CD6_mP24_3_5e_a2b2c2d_a_3e:F-Fe-Li-O,24.0,"Invalid WP multiplicities - A10B7CD6_mP24_3_9e_a2b2c2d_a_6e:F-Fe-Li-O, expected LiFe7(O2F3)6 to be LiFe7(O3F5)2" +mp-755474,Li2Fe2OF6,-6.0462860664,-2.66688146,0.0408215353,0.0408215353,GGA+U,P-1,A6B2C2D_aP22_2_6i_2i_2i_i:F-Fe-Li-O,22.0,"Invalid WP multiplicities - A6B2C2D_aP22_2_11i_3i_3i_i:F-Fe-Li-O, expected Li3Fe3OF11 to be Li2Fe2OF6" +mp-559277,SrLiFeF6,-5.9364412719,-3.3211844569,0.0,-0.0153402655,GGA+U,P2_1/c,A6BCD_mP36_14_6e_e_e_e:F-Fe-Li-Sr,36.0,"Invalid WP multiplicities - A6BCD_mP36_14_22e_e_e_e:F-Fe-Li-Sr, expected SrLiFeF22 to be SrLiFeF6" +mp-1177103,Li5FeO3F,-5.404695803,-1.9280777385,0.273003157,0.273003157,GGA+U,Pm,ABC5D3_mP20_6_ab_ab_2a2b3c_ab2c:F-Fe-Li-O,20.0,"Invalid WP multiplicities - ABC5D3_oC40_40_b_b_a4b2c_b2c:F-Fe-Li-O, expected Li9FeO5F to be Li5FeO3F" +mp-761250,Li5FeO3F,-5.6311112693,-2.1544932048,0.0465876907,0.0465876907,GGA+U,C2/m,ABC5D3_mC40_12_g_i_i2j_hj:F-Fe-Li-O,40.0,ABC5D3_mC40_12_g_i_i2j_hj:F-Fe-Li-O +mp-753464,Li5FeO3F,-5.5875013285,-2.110883264,0.0901976315,0.0901976315,GGA+U,Ama2,ABC5D3_oC40_40_b_b_a2bc_bc:F-Fe-Li-O,40.0,"Invalid WP multiplicities - ABC5D3_oC40_40_b_b_a3bc_bc:F-Fe-Li-O, expected Li6FeO3F to be Li5FeO3F" +mp-776572,Li6Fe2O5F2,-6.0055056033,-2.2088401959,0.0944857421,0.0944857421,GGA+U,P-1,A2B2C6D5_aP30_2_2i_2i_6i_5i:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A2B2C6D5_aP30_2_2i_3i_11i_9i:F-Fe-Li-O, expected Li11Fe3O9F2 to be Li6Fe2O5F2" +mp-764500,Li8Fe(O2F)2,-5.3834395797,-2.2266984514,0.075219161,0.075219161,GGA+U,P-1,A2BC8D4_aP30_2_2i_be_8i_4i:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A2BC8D4_aP30_2_3i_be_15i_7i:F-Fe-Li-O, expected Li15FeO7F3 to be Li8Fe(O2F)2" +mp-752873,Li8Fe(O2F)2,-5.3886289502,-2.2318878219,0.0700297905,0.0700297905,GGA+U,P-1,A2BC8D4_aP15_2_i_a_4i_2i:F-Fe-Li-O,60.0,A2BC8D4_aP15_2_i_a_4i_2i:F-Fe-Li-O +mp-1176841,Li8Fe(O2F)2,-5.376199892,-2.2194587638,0.0824588487,0.0824588487,GGA+U,P-1,A2BC8D4_aP15_2_i_a_4i_2i:F-Fe-Li-O,30.0,A2BC8D4_aP15_2_i_a_4i_2i:F-Fe-Li-O +mp-759890,Li8Fe(O2F)2,-5.3648647833,-2.2081236551,0.0937939573,0.0937939573,GGA+U,Cmc2_1,A2BC8D4_oC60_36_b_a_2a3b_2ab:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A2BC8D4_oC60_36_b_a_3a8b_2a2b:F-Fe-Li-O, expected Li19Fe(O3F)2 to be Li8Fe(O2F)2" +mp-781596,LiFeOF2,-6.3040765678,-2.4743584232,0.0851179048,0.0851179048,GGA+U,P1,A2BCD_aP40_1_16a_8a_8a_8a:F-Fe-Li-O,40.0,A2BCD_aP40_1_16a_8a_8a_8a:F-Fe-Li-O +mp-779787,LiFeOF2,-6.285912854,-2.4561947094,0.1032816186,0.1032816186,GGA+U,P1,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O,20.0,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O +mp-807581,LiFeOF2,-4.8158056405,-0.9860874959,1.5733888321,1.5733888321,GGA+U,P1,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O,20.0,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O +mp-1376775,LiFeOF2,-5.2456305715,-1.4159124269,1.1435639011,1.1435639011,GGA+U,P1,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O,20.0,A2BCD_aP20_1_8a_4a_4a_4a:F-Fe-Li-O +mp-779349,LiFeOF2,-6.283632246,-2.4539141014,0.1055622266,0.1055622266,GGA+U,Pc,A2BCD_mP40_7_8a_4a_4a_4a:F-Fe-Li-O,40.0,"Invalid WP multiplicities - A2BCD_mP40_7_14a_6a_6a_7a:F-Fe-Li-O, expected Li6Fe6(OF2)7 to be LiFeOF2" +mp-849274,LiFeOF2,-6.349689995,-2.5199718504,0.0395044776,0.0395044776,GGA+U,C2/c,A2BCD_mC40_15_2f_2e_f_f:F-Fe-Li-O,20.0,"Invalid WP multiplicities - A2BCD_mC40_15_7f_3e_f_f:F-Fe-Li-O, expected Li2Fe3(OF7)2 to be LiFeOF2" +mp-851087,LiFeOF2,-6.32810692,-2.4983887754,0.0610875526,0.0610875526,GGA+U,P6_3/mmc,A2BCD_hP10_194_f_c_a_b:F-Fe-Li-O,20.0,A2BCD_hP10_194_f_c_a_b:F-Fe-Li-O +mp-758661,LiFe3OF5,-6.5808414695,-2.398534465,0.0863797315,0.0863797315,GGA+U,P1,A5B3CD_aP20_1_10a_6a_2a_2a:F-Fe-Li-O,20.0,A5B3CD_aP20_1_10a_6a_2a_2a:F-Fe-Li-O +mp-753410,LiFe3OF5,-6.566240938,-2.3839339335,0.100980263,0.100980263,GGA+U,Cm,A5B3CD_mC40_8_4a3b_6a_b_2a:F-Fe-Li-O,20.0,A5B3CD_mC40_8_4a3b_6a_b_2a:F-Fe-Li-O +mp-754592,Li4FeOF4,-5.6315445435,-2.7617128177,0.0674739675,0.0674739675,GGA+U,I4/m,A4BC4D_tI20_87_h_a_h_b:F-Fe-Li-O,40.0,A4BC4D_tI20_87_h_a_h_b:F-Fe-Li-O +mp-758878,Li3Fe8O3F13,-6.5939033933,-2.4021911344,0.0708072006,0.0708072006,GGA+U,Cm,A13B8C3D3_mC54_8_5a4b_2a3b_3a_3a:F-Fe-Li-O,27.0,"Invalid WP multiplicities - A13B8C3D3_mC54_8_5a7b_2a4b_3a_3a:F-Fe-Li-O, expected Li3Fe10O3F19 to be Li3Fe8O3F13" +mp-1235135,LiFe6(OF2)4,-6.8336609205,-2.2122063568,0.1386393188,0.1386393188,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1235306,LiFe6(OF2)4,-6.6844944968,-2.0630399331,0.2878057425,0.2878057425,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1235426,LiFe6(OF2)4,-6.8155435332,-2.1940889694,0.1567567062,0.1567567062,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1235528,LiFe6(OF2)4,-6.8397984837,-2.2183439199,0.1325017557,0.1325017557,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1235542,LiFe6(OF2)4,-6.8364539053,-2.2149993415,0.1358463341,0.1358463341,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1236036,LiFe6(OF2)4,-6.8205832305000005,-2.1991286668,0.1517170088,0.1517170088,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Li-O +mp-1235843,LiFe6(OF2)4,-6.7837981295,-2.1623435657,0.1885021099,0.1885021099,GGA+U,C2,A8B6CD4_mC38_5_4c_ab2c_a_2bc:F-Fe-Li-O,19.0,"Invalid WP multiplicities - A8B6CD4_mC38_5_7c_ab3c_a_2bc:F-Fe-Li-O, expected LiFe8(O2F7)2 to be LiFe6(OF2)4" +mp-759422,Li4FeOF5,-5.5886455339,-2.8059367862,0.0843404163,0.0843404163,GGA+U,Cm,A5BC4D_mC66_8_5a5b_ab_4a4b_ab:F-Fe-Li-O,33.0,"Invalid WP multiplicities - A5BC4D_mC66_8_5a10b_ab_4a8b_ab:F-Fe-Li-O, expected Li20Fe3O3F25 to be Li4FeOF5" +mp-779064,Li4FeOF5,-5.57319293,-2.7904841822,0.0997930203,0.0997930203,GGA+U,Cc,A5BC4D_mC44_9_5a_a_4a_a:F-Fe-Li-O,44.0,A5BC4D_mC44_9_5a_a_4a_a:F-Fe-Li-O +mp-775155,Li4FeOF5,-5.5646170652,-2.7819083174,0.1083688851,0.1083688851,GGA+U,P3_1,A5BC4D_hP33_144_5a_a_4a_a:F-Fe-Li-O,33.0,"Invalid WP multiplicities - A5BC4D_hP33_144_13a_a_10a_a:F-Fe-Li-O, expected Li10FeOF13 to be Li4FeOF5" +mp-799579,Li4Fe7(OF7)2,-4.2198363889,-0.383542948,2.2141805028,2.2141805028,GGA+U,P1,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O,27.0,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O +mp-764476,Li4Fe7(OF7)2,-6.3663202681,-2.5300268273,0.0676966235,0.0676966235,GGA+U,P1,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O,27.0,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O +mp-757088,Li4Fe7(OF7)2,-6.3991587904,-2.5628653495,0.0348581013,0.0348581013,GGA+U,P-1,A14B7C4D2_aP27_2_7i_acf2i_2i_i:F-Fe-Li-O,27.0,"Invalid WP multiplicities - A14B7C4D2_aP27_2_13i_acf4i_3i_i:F-Fe-Li-O, expected Li6Fe11(OF13)2 to be Li4Fe7(OF7)2" +mp-1333160,Li4Fe7(OF7)2,-5.72490755,-1.8886141091,0.7091093417000001,0.7091093417000001,GGA+U,P1,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O,27.0,A14B7C4D2_aP27_1_14a_7a_4a_2a:F-Fe-Li-O +mp-759285,Li4Fe7(OF7)2,-6.3853094637,-2.5490160228,0.048707428,0.048707428,GGA+U,P-1,A14B7C4D2_aP27_2_7i_abcdhi_2i_i:F-Fe-Li-O,27.0,"Invalid WP multiplicities - A14B7C4D2_aP27_2_13i_abcdh2i_3i_i:F-Fe-Li-O, expected Li6Fe9(OF13)2 to be Li4Fe7(OF7)2" +mp-777279,Li5FeOF5,-5.4974069831,-2.7875137255,0.0977993619,0.0977993619,GGA+U,Cc,A5BC5D_mC48_9_10a_2a_10a_2a:F-Fe-Li-O,48.0,A5BC5D_mC48_9_5a_a_5a_a:F-Fe-Li-O +mp-1177101,Li5FeOF5,-5.4954980072,-2.7856047495,0.0997083378,0.0997083378,GGA+U,P3_1,A5BC5D_hP36_144_5a_a_5a_a:F-Fe-Li-O,36.0,"Invalid WP multiplicities - A5BC5D_hP36_144_13a_a_13a_a:F-Fe-Li-O, expected Li13FeOF13 to be Li5FeOF5" +mp-849473,Li3Fe9O5F11,-6.8042368082,-2.242927105,0.0757552639,0.0757552639,GGA+U,P1,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O,28.0,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O +mp-777187,Li3Fe9O5F11,-6.7869260668,-2.2256163636,0.0930660054,0.0930660054,GGA+U,P1,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O,28.0,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O +mp-849603,Li3Fe9O5F11,-6.7826056093,-2.2212959061,0.0973864629,0.0973864629,GGA+U,P1,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O,28.0,A11B9C3D5_aP28_1_11a_9a_3a_5a:F-Fe-Li-O +mp-754559,Li4Fe3OF11,-5.8558881589,-2.7496401352,0.0506148247,0.0506148247,GGA+U,P1,A11B3C4D_aP19_1_11a_3a_4a_a:F-Fe-Li-O,19.0,A11B3C4D_aP19_1_11a_3a_4a_a:F-Fe-Li-O +mp-776991,LiFe4OF7,-6.6068283212,-2.4440553065,0.0656072177,0.0656072177,GGA+U,P2_1,A7B4CD_mP26_4_7a_4a_a_a:F-Fe-Li-O,26.0,"Invalid WP multiplicities - A7B4CD_mP26_4_14a_7a_a_a:F-Fe-Li-O, expected LiFe7OF14 to be LiFe4OF7" +mp-799684,Li4Fe3OF8,-4.50837081,-1.1781035883,1.5621970088,1.5621970088,GGA+U,P1,A8B3C4D_aP16_1_8a_3a_4a_a:F-Fe-Li-O,16.0,A8B3C4D_aP16_1_8a_3a_4a_a:F-Fe-Li-O +mp-764594,Li4Fe3OF8,-5.993066155,-2.6627989333,0.0775016637,0.0775016637,GGA+U,Cm,A8B3C4D_mC32_8_8a_3a_4a_a:F-Fe-Li-O,16.0,A8B3C4D_mC32_8_8a_3a_4a_a:F-Fe-Li-O +mp-849544,Li4Fe3OF8,-5.9621358711,-2.6318686493,0.1084319477,0.1084319477,GGA+U,Pmn2_1,A8B3C4D_oP64_31_2a7b_2a2b_4b_b:F-Fe-Li-O,64.0,"Invalid WP multiplicities - A8B3C4D_oP64_31_4a12b_4a2b_6b_b:F-Fe-Li-O, expected Li6Fe4OF14 to be Li4Fe3OF8" +mp-807564,Li4FeO3F,-2.78185504,0.8689513798,3.1395856349,3.1395856349,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O +mp-755173,Li4FeO3F,-5.8204118967,-2.1696054769,0.1010287782,0.1010287782,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O +mp-1346483,Li4FeO3F,-4.6988295411,-1.0480231213,1.2226111337,1.2226111337,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:F-Fe-Li-O +mp-755682,Li4FeO3F,-5.8152865183,-2.1644800986,0.1061541565,0.1061541565,GGA+U,P-1,ABC4D3_aP18_2_i_i_4i_3i:F-Fe-Li-O,18.0,"Invalid WP multiplicities - ABC4D3_aP18_2_i_i_7i_5i:F-Fe-Li-O, expected Li7FeO5F to be Li4FeO3F" +mp-756232,Li4FeO3F,-5.8189151428,-2.168108723,0.1025255321,0.1025255321,GGA+U,Cc,ABC4D3_mC36_9_a_a_4a_3a:F-Fe-Li-O,18.0,"Invalid WP multiplicities - ABC4D3_mC36_9_a_a_7a_5a:F-Fe-Li-O, expected Li7FeO5F to be Li4FeO3F" +mp-780154,Li4FeO3F,-5.8424876367,-2.1916812169,0.0789530382,0.0789530382,GGA+U,Cmc2_1,ABC4D3_oC36_36_a_a_2b_ab:F-Fe-Li-O,36.0,ABC4D3_oC36_36_a_a_2b_ab:F-Fe-Li-O +mp-1235254,LiFe8(O3F)4,-7.1845924976,-1.7175815795,0.1574107833,0.1574107833,GGA+U,P1,A4B8CD12_aP25_1_4a_8a_a_12a:F-Fe-Li-O,25.0,A4B8CD12_aP25_1_4a_8a_a_12a:F-Fe-Li-O +mp-1235242,LiFe8(O3F)4,-7.1680945036,-1.7010835855000002,0.1739087773,0.1739087773,GGA+U,C2,A4B8CD12_mC50_5_2c_4c_a_6c:F-Fe-Li-O,25.0,"Invalid WP multiplicities - A4B8CD12_mC50_5_4c_7c_a_12c:F-Fe-Li-O, expected LiFe14(O3F)8 to be LiFe8(O3F)4" +mp-1236324,LiFe8(O3F)4,-7.1950909156,-1.7280799975,0.1469123653,0.1469123653,GGA+U,C2,A4B8CD12_mC50_5_2c_4c_a_6c:F-Fe-Li-O,25.0,"Invalid WP multiplicities - A4B8CD12_mC50_5_4c_7c_a_12c:F-Fe-Li-O, expected LiFe14(O3F)8 to be LiFe8(O3F)4" +mp-1235812,LiFe8(O3F)4,-7.1543373068000005,-1.6873263887,0.1876659741,0.1876659741,GGA+U,Pm,A4B8CD12_mP25_6_2a2b_4a4b_a_2a2b4c:F-Fe-Li-O,25.0,"Invalid WP multiplicities - A4B8CD12_mP25_6_2a2b_4a4b_a_2a2b8c:F-Fe-Li-O, expected LiFe8(O5F)4 to be LiFe8(O3F)4" +mp-778608,Li6FeO4F,-5.6043905004,-2.1359078152,0.0938618363,0.0938618363,GGA+U,P2_1,ABC6D4_mP24_4_a_a_6a_4a:F-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC6D4_mP24_4_a_a_11a_6a:F-Fe-Li-O, expected Li11FeO6F to be Li6FeO4F" +mp-752505,Li2Fe2OF4,-6.2244323989,-2.518822095,0.0816846061,0.0816846061,GGA+U,Cmc2_1,A4B2C2D_oC36_36_4a_2a_2a_a:F-Fe-Li-O,18.0,A4B2C2D_oC36_36_4a_2a_2a_a:F-Fe-Li-O +mp-1177125,Li5Fe3(OF5)2,-5.887525124,-2.6893828710000003,0.0829988567,0.0829988567,GGA+U,P1,A10B3C5D2_aP20_1_10a_3a_5a_2a:F-Fe-Li-O,20.0,A10B3C5D2_aP20_1_10a_3a_5a_2a:F-Fe-Li-O +mp-1372888,Li5Fe3(OF5)2,-5.2549468845,-2.0568046315,0.7155770962,0.7155770962,GGA+U,P1,A10B3C5D2_aP20_1_10a_3a_5a_2a:F-Fe-Li-O,20.0,A10B3C5D2_aP20_1_10a_3a_5a_2a:F-Fe-Li-O +mp-752518,Li4Fe(OF)2,-5.6718637797,-2.358302887,0.0935109417,0.0935109417,GGA+U,C2/m,A2BC4D2_mC18_12_i_a_2i_i:F-Fe-Li-O,36.0,A2BC4D2_mC18_12_i_a_2i_i:F-Fe-Li-O +mp-849525,Li2Fe3O3F5,-6.4748031154,-2.3497746281,0.1086395978,0.1086395978,GGA+U,Cm,A5B3C2D3_mC26_8_3ab_3a_b_ab:F-Fe-Li-O,13.0,"Invalid WP multiplicities - A5B3C2D3_mC26_8_3a2b_3a_b_a2b:F-Fe-Li-O, expected Li2Fe3O5F7 to be Li2Fe3O3F5" +mp-776573,LiFe2O3F,-7.106625825,-2.0208386267,0.1036132079,0.1036132079,GGA+U,Cc,AB2CD3_mC56_9_2a_4a_2a_6a:F-Fe-Li-O,28.0,"Invalid WP multiplicities - AB2CD3_mC56_9_3a_6a_4a_12a:F-Fe-Li-O, expected Li4Fe6(O4F)3 to be LiFe2O3F" +mp-1177116,Li5FeO4F,-5.727879455,-2.1176186045,0.0488500455,0.0488500455,GGA+U,P2_1,ABC5D4_mP22_4_a_a_5a_4a:F-Fe-Li-O,44.0,ABC5D4_mP22_4_a_a_5a_4a:F-Fe-Li-O +mp-754471,LiFe5O3F5,-7.02717999,-2.123144998,0.0752667236,0.0752667236,GGA+U,Cm,A5B5CD3_mC28_8_a2b_3ab_a_3a:F-Fe-Li-O,14.0,"Invalid WP multiplicities - A5B5CD3_mC28_8_a3b_3a2b_a_3a:F-Fe-Li-O, expected LiFe7O3F7 to be LiFe5O3F5" +mp-850023,Li7Fe5OF15,-5.8141383479,-2.6237298,0.1760351586,0.1760351586,GGA+U,P1,A15B5C7D_aP56_1_30a_10a_14a_2a:F-Fe-Li-O,56.0,A15B5C7D_aP56_1_30a_10a_14a_2a:F-Fe-Li-O +mp-776089,LiFe2OF5,-6.2406186052,-2.5347242901,0.0599393727,0.0599393727,GGA+U,P1,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O,27.0,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O +mp-850961,LiFe2OF5,-6.22919838,-2.523304065,0.0713595979,0.0713595979,GGA+U,P1,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O,27.0,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O +mp-776546,LiFe2OF5,-6.2302833074,-2.5243889924,0.0702746705,0.0702746705,GGA+U,P1,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O,27.0,A5B2CD_aP27_1_15a_6a_3a_3a:F-Fe-Li-O +mp-753068,LiFe2OF5,-6.1987539739,-2.4928596588,0.101804004,0.101804004,GGA+U,C2,A5B2CD_mC36_5_5c_3ab_ab_c:F-Fe-Li-O,18.0,"Invalid WP multiplicities - A5B2CD_mC36_5_10c_3ab_ab_c:F-Fe-Li-O, expected LiFe2OF10 to be LiFe2OF5" +mp-776544,LiFe2OF5,-6.2249334444,-2.5190391294,0.0756245335,0.0756245335,GGA+U,Pc,A5B2CD_mP36_7_10a_4a_2a_2a:F-Fe-Li-O,36.0,A5B2CD_mP36_7_20a_8a_4a_4a:F-Fe-Li-O +mp-776551,LiFe2OF5,-6.2070042172,-2.5011099022,0.0935537607,0.0935537607,GGA+U,Pc,A5B2CD_mP36_7_10a_4a_2a_2a:F-Fe-Li-O,36.0,"Invalid WP multiplicities - A5B2CD_mP36_7_20a_8a_2a_2a:F-Fe-Li-O, expected LiFe4OF10 to be LiFe2OF5" +mp-755843,LiFe2OF5,-6.2745600394,-2.5686657244,0.0259979385,0.0259979385,GGA+U,Pc,A5B2CD_mP18_7_5a_2a_a_a:F-Fe-Li-O,18.0,"Invalid WP multiplicities - A5B2CD_mP18_7_8a_4a_a_a:F-Fe-Li-O, expected LiFe4OF8 to be LiFe2OF5" +mp-779300,LiFe2OF5,-6.2461966992,-2.5403023841,0.0543612787,0.0543612787,GGA+U,Cc,A5B2CD_mC72_9_10a_4a_2a_2a:F-Fe-Li-O,36.0,"Invalid WP multiplicities - A5B2CD_mC72_9_17a_6a_2a_2a:F-Fe-Li-O, expected Li2Fe6O2F17 to be LiFe2OF5" +mp-1176737,LiFe2OF5,-6.2548285881,-2.548934273,0.0457293898,0.0457293898,GGA+U,Ama2,A5B2CD_oC72_40_ab4c_2c_ab_ab:F-Fe-Li-O,36.0,"Invalid WP multiplicities - A5B2CD_oC72_40_ab10c_2c_ab_ab:F-Fe-Li-O, expected LiFe2OF11 to be LiFe2OF5" +mp-776044,LiFe2OF5,-6.2079497378,-2.5020554227,0.0926082401,0.0926082401,GGA+U,P3_1,A5B2CD_hP27_144_5a_2a_a_a:F-Fe-Li-O,27.0,"Invalid WP multiplicities - A5B2CD_hP27_144_15a_2a_a_a:F-Fe-Li-O, expected LiFe2OF15 to be LiFe2OF5" +mp-755038,Li5FeO3F2,-5.6801701591,-2.3458374671,0.0875804867,0.0875804867,GGA+U,Cm,A2BC5D3_mC22_8_2a_a_5a_3a:F-Fe-Li-O,11.0,A2BC5D3_mC22_8_2a_a_5a_3a:F-Fe-Li-O +mp-1235046,LiFe8(O7F)2,-7.2436632748,-1.5338355772,0.1735579988,0.1735579988,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235069,LiFe8(O7F)2,-7.2509877508,-1.5411600532,0.1662335228,0.1662335228,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235197,LiFe8(O7F)2,-7.2353989736,-1.525571276,0.1818223,0.1818223,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235280,LiFe8(O7F)2,-7.231373086,-1.5215453884,0.1858481876,0.1858481876,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235289,LiFe8(O7F)2,-7.2395717592,-1.5297440616,0.1776495144,0.1776495144,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235421,LiFe8(O7F)2,-7.2355028092,-1.5256751116,0.1817184644,0.1817184644,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235424,LiFe8(O7F)2,-7.2300704552,-1.5202427576000002,0.1871508184,0.1871508184,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235659,LiFe8(O7F)2,-7.2035778444,-1.4937501468,0.2136434292,0.2136434292,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1235835,LiFe8(O7F)2,-7.2500308548,-1.5402031572,0.1671904188,0.1671904188,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-1236508,LiFe8(O7F)2,-7.23968705,-1.5298593524,0.1775342236,0.1775342236,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Li-O +mp-752847,Li4Fe3(OF3)2,-6.1578956283,-2.5306952067,0.0714814447,0.0714814447,GGA+U,P-1,A6B3C4D2_aP15_2_3i_ai_2i_i:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A6B3C4D2_aP15_2_3i_2a2i_2i_i:F-Fe-Li-O, expected Li2Fe3OF3 to be Li4Fe3(OF3)2" +mp-856325,Li7Fe(O2F)2,-4.1163067939,-0.8704357899,1.4930731396,1.4930731396,GGA+U,P1,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O,28.0,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O +mp-850795,Li7Fe(O2F)2,-5.51414236,-2.268271356,0.0952375736,0.0952375736,GGA+U,P1,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O,28.0,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O +mp-1367805,Li7Fe(O2F)2,-4.8832154404,-1.6373444363,0.7261644932,0.7261644932,GGA+U,P1,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O,28.0,A2BC7D4_aP28_1_4a_2a_14a_8a:F-Fe-Li-O +mp-756353,LiFe3(OF3)2,-6.4327598483,-2.375990038,0.1003928473,0.1003928473,GGA+U,P1,A6B3CD2_aP12_1_6a_3a_a_2a:F-Fe-Li-O,12.0,A6B3CD2_aP12_1_6a_3a_a_2a:F-Fe-Li-O +mp-755919,LiFe3(OF3)2,-6.4730734988,-2.4163036884,0.0600791969,0.0600791969,GGA+U,P-1,A6B3CD2_aP24_2_6i_3i_i_2i:F-Fe-Li-O,24.0,"Invalid WP multiplicities - A6B3CD2_aP24_2_11i_5i_i_3i:F-Fe-Li-O, expected LiFe5O3F11 to be LiFe3(OF3)2" +mp-754427,LiFe3(OF3)2,-6.5260378733,-2.469268063,0.0071148223,0.0071148223,GGA+U,P2_1/c,A6B3CD2_mP24_14_3e_ae_d_e:F-Fe-Li-O,24.0,"Invalid WP multiplicities - A6B3CD2_mP24_14_9e_2a2e_b_e:F-Fe-Li-O, expected LiFe6(OF9)2 to be LiFe3(OF3)2" +mp-776550,LiFe3(OF3)2,-6.4305264317,-2.3737566213,0.1026262639,0.1026262639,GGA+U,Pmn2_1,A6B3CD2_oP24_31_6a_3a_a_2a:F-Fe-Li-O,24.0,"Invalid WP multiplicities - A6B3CD2_oP24_31_12a_6a_a_4a:F-Fe-Li-O, expected LiFe6(OF3)4 to be LiFe3(OF3)2" +mp-755687,Li3Fe4(OF3)3,-6.2463799147,-2.4753151631,0.1008288498,0.1008288498,GGA+U,P1,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O,19.0,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O +mp-754277,Li3Fe4(OF3)3,-6.2710356284,-2.4999708768,0.0761731361,0.0761731361,GGA+U,P1,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O,19.0,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O +mp-755873,Li3Fe4(OF3)3,-6.2618547674,-2.4907900157,0.0853539972,0.0853539972,GGA+U,P1,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O,19.0,A9B4C3D3_aP19_1_9a_4a_3a_3a:F-Fe-Li-O +mp-764977,Li2FeOF3,-5.9224326293,-2.6411479783000003,0.0916049983,0.0916049983,GGA+U,Pc,A3BC2D_mP28_7_6a_2a_4a_2a:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D_mP28_7_12a_2a_8a_4a:F-Fe-Li-O, expected Li4Fe(OF3)2 to be Li2FeOF3" +mp-780672,Li2FeOF3,-5.9497953421,-2.6685106911,0.0642422854,0.0642422854,GGA+U,Cm,A3BC2D_mC28_8_4ab_2a_2ab_b:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3BC2D_mC28_8_4ab_4a_2ab_b:F-Fe-Li-O, expected Li2Fe2OF3 to be Li2FeOF3" +mp-755818,Li2FeOF3,-5.9408310254,-2.6595463743,0.0732066022,0.0732066022,GGA+U,C2/m,A3BC2D_mC28_12_ij_e_aci_i:F-Fe-Li-O,28.0,A3BC2D_mC28_12_ij_e_adi_i:F-Fe-Li-O +mp-752830,Li2FeOF3,-5.9292147007,-2.6479300497,0.0848229268,0.0848229268,GGA+U,C2/m,A3BC2D_mC28_12_3i_i_aci_i:F-Fe-Li-O,14.0,"Invalid WP multiplicities - A3BC2D_mC28_12_5i_i_ad2i_i:F-Fe-Li-O, expected Li3FeOF5 to be Li2FeOF3" +mp-850401,Li2FeOF3,-5.9614755875,-2.6801909365,0.05256204,0.05256204,GGA+U,P4_1,A3BC2D_tP28_76_3a_a_2a_a:F-Fe-Li-O,28.0,A3BC2D_tP28_76_3a_a_2a_a:F-Fe-Li-O +mp-754420,Li7FeO5F,-5.5466851129,-2.0840134128,0.0630472004,0.0630472004,GGA+U,P1,ABC7D5_aP14_1_a_a_7a_5a:F-Fe-Li-O,14.0,ABC7D5_aP14_1_a_a_7a_5a:F-Fe-Li-O +mp-759661,Li7FeO5F,-5.5579029459,-2.0952312459,0.0518293673,0.0518293673,GGA+U,P1,ABC7D5_aP28_1_2a_2a_14a_10a:F-Fe-Li-O,56.0,"Invalid WP multiplicities - ABC7D5_aP28_1_2a_4a_14a_10a:F-Fe-Li-O, expected Li7Fe2O5F to be Li7FeO5F" +mp-780155,Li9Fe3(OF7)2,-5.6671528764,-2.8369938622,0.0478343998,0.0478343998,GGA+U,P-1,A14B3C9D2_aP28_2_7i_aeg_bcf3i_i:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A14B3C9D2_aP28_2_12i_aeg_bcf4i_i:F-Fe-Li-O, expected Li11Fe3(OF12)2 to be Li9Fe3(OF7)2" +mp-756358,LiFe2O2F3,-6.626542505,-2.3169450535,0.0783053586,0.0783053586,GGA+U,P1,A3B2CD2_aP16_1_6a_4a_2a_4a:F-Fe-Li-O,16.0,A3B2CD2_aP16_1_6a_4a_2a_4a:F-Fe-Li-O +mp-755207,LiFe2O2F3,-6.5899865987,-2.2803891473,0.1148612649,0.1148612649,GGA+U,C2,A3B2CD2_mC32_5_ab2c_2c_c_2c:F-Fe-Li-O,16.0,A3B2CD2_mC32_15_ef_f_c_f:F-Fe-Li-O +mp-755438,LiFe2O2F3,-6.6371515212,-2.3275540698,0.0676963424,0.0676963424,GGA+U,Cm,A3B2CD2_mC32_8_6a_4a_2a_4a:F-Fe-Li-O,16.0,A3B2CD2_mC32_8_6a_4a_2a_4a:F-Fe-Li-O +mp-850915,LiFe2O2F3,-6.63092287,-2.3213254185,0.0739249936,0.0739249936,GGA+U,C2/m,A3B2CD2_mC32_12_3i_2i_i_2i:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3B2CD2_mC32_12_5i_3i_i_3i:F-Fe-Li-O, expected LiFe3O3F5 to be LiFe2O2F3" +mp-1176729,LiFe2O2F3,-6.6111728575,-2.301575406,0.0936750061,0.0936750061,GGA+U,C2/c,A3B2CD2_mC32_15_ef_f_a_f:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3B2CD2_mC32_15_2ef_f_c_f:F-Fe-Li-O, expected LiFe2(OF2)2 to be LiFe2O2F3" +mp-1176751,LiFe2O2F3,-6.2238563494,-1.9142588979,0.4809915142,0.4809915142,GGA+U,C2/c,A3B2CD2_mC32_15_ef_f_a_f:F-Fe-Li-O,16.0,A3B2CD2_mC32_15_ef_f_c_f:F-Fe-Li-O +mp-755539,LiFe2O2F3,-6.6346999344,-2.3251024829,0.0701479292,0.0701479292,GGA+U,Pmc2_1,A3B2CD2_oP16_26_2ab_ab_a_ab:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3B2CD2_oP16_26_2a2b_a2b_a_a2b:F-Fe-Li-O, expected LiFe3O3F4 to be LiFe2O2F3" +mp-754884,LiFe2O2F3,-6.6300517994,-2.3204543479,0.0747960642,0.0747960642,GGA+U,Cmcm,A3B2CD2_oC32_63_cf_f_c_f:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3B2CD2_oC32_63_c2f_f_c_f:F-Fe-Li-O, expected LiFe2O2F5 to be LiFe2O2F3" +mp-754972,LiFe5(OF2)4,-6.6831708717,-2.275525566,0.0825765416,0.0825765416,GGA+U,F222,A8B5CD4_oF72_22_ejk_afi_c_k:F-Fe-Li-O,18.0,"Invalid WP multiplicities - A8B5CD4_oF72_22_2ej3k_cfi_a_k:F-Fe-Li-O, expected LiFe5(O2F9)2 to be LiFe5(OF2)4" +mp-1176720,LiFe5(OF2)4,-6.71325542,-2.3056101144,0.0524919933,0.0524919933,GGA+U,Cmmm,A8B5CD4_oC36_65_gjn_ckl_a_o:F-Fe-Li-O,18.0,"Invalid WP multiplicities - A8B5CD4_oC36_65_2gj2o_akl_c_n:F-Fe-Li-O, expected LiFe5(O2F7)2 to be LiFe5(OF2)4" +mp-775153,Li3FeOF3,-5.4925265831,-2.3827871552,0.3622101769,0.3622101769,GGA+U,P-1,A3BC3D_aP16_2_3i_i_ab2i_i:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC3D_mC32_12_6i_i_ad4i_i:F-Fe-Li-O, expected Li5FeOF6 to be Li3FeOF3" +mp-887364,Li3FeOF3,-5.7602455444,-2.6505061164,0.0944912156,0.0944912156,GGA+U,C2/m,A3BC3D_mC32_12_3i_i_ac2i_i:F-Fe-Li-O,16.0,"Invalid WP multiplicities - A3BC3D_mC32_12_6i_i_ad4i_i:F-Fe-Li-O, expected Li5FeOF6 to be Li3FeOF3" +mp-777299,Li3FeOF3,-5.7542653313,-2.6445259033,0.1004714287,0.1004714287,GGA+U,P2/c,A3BC3D_mP32_13_3g_ef_ef2g_g:F-Fe-Li-O,32.0,"Invalid WP multiplicities - A3BC3D_mP32_13_8g_ef_ef7g_g:F-Fe-Li-O, expected Li8FeOF8 to be Li3FeOF3" +mp-752488,Li3FeOF3,-5.7582758556,-2.6485364277,0.0964609044,0.0964609044,GGA+U,Imma,A3BC3D_oI32_74_ef_a_bcd_e:F-Fe-Li-O,32.0,A3BC3D_oI32_74_ef_a_bcd_e:F-Fe-Li-O +mp-755119,Li2Fe5O5F7,-6.6912904674,-2.2554089878,0.0966240781,0.0966240781,GGA+U,P1,A7B5C2D5_aP19_1_7a_5a_2a_5a:F-Fe-Li-O,19.0,A7B5C2D5_aP19_1_7a_5a_2a_5a:F-Fe-Li-O +mp-776522,Li4Fe2OF8,-5.774422724,-2.7868057681,0.0565444261,0.0565444261,GGA+U,Cc,A8B2C4D_mC60_9_8a_2a_4a_a:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A8B2C4D_mC60_9_14a_2a_6a_a:F-Fe-Li-O, expected Li6Fe2OF14 to be Li4Fe2OF8" +mp-764903,Li6FeO5F,-5.5769643858,-1.9947735447,0.0923624488,0.0923624488,GGA+U,P1,ABC6D5_aP26_1_2a_2a_12a_10a:F-Fe-Li-O,26.0,ABC6D5_aP26_1_2a_2a_12a_10a:F-Fe-Li-O +mp-757357,Li6FeO5F,-5.5873938077,-2.0052029666,0.0819330269,0.0819330269,GGA+U,P1,ABC6D5_aP13_1_a_a_6a_5a:F-Fe-Li-O,13.0,ABC6D5_aP13_1_a_a_6a_5a:F-Fe-Li-O +mp-1178085,Li11Fe5(OF11)2,-5.7271230707,-2.8447687635000003,0.034065664,0.034065664,GGA+U,P1,A22B5C11D2_aP40_1_22a_5a_11a_2a:F-Fe-Li-O,40.0,A22B5C11D2_aP40_1_22a_5a_11a_2a:F-Fe-Li-O +mp-780457,Li5Fe7O3F13,-6.3822912732,-2.5064321477,0.0527915161,0.0527915161,GGA+U,P1,A13B7C5D3_aP28_1_13a_7a_5a_3a:F-Fe-Li-O,28.0,A13B7C5D3_aP28_1_13a_7a_5a_3a:F-Fe-Li-O +mp-1337214,Li5Fe7O3F13,-4.7597387275,-0.883879602,1.6753440618000002,1.6753440618000002,GGA+U,P1,A13B7C5D3_aP28_1_13a_7a_5a_3a:F-Fe-Li-O,28.0,A13B7C5D3_aP28_1_13a_7a_5a_3a:F-Fe-Li-O +mp-764556,Li5Fe7O3F13,-6.3219094607,-2.4460503352,0.1131733286,0.1131733286,GGA+U,Cm,A13B7C5D3_mC56_8_5a4b_3a2b_5a_3a:F-Fe-Li-O,28.0,A13B7C5D3_mC56_8_5a4b_3a2b_5a_3a:F-Fe-Li-O +mp-764872,Li5Fe7O3F13,-6.3821004918,-2.5062413663000003,0.0529822975,0.0529822975,GGA+U,Cm,A13B7C5D3_mC56_8_5a4b_3a2b_5a_3a:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A13B7C5D3_mC56_8_5a6b_3a4b_5a_3a:F-Fe-Li-O, expected Li5Fe11O3F17 to be Li5Fe7O3F13" +mp-807122,LiFe7(OF3)3,-5.354718179,-0.6925957701000001,1.62393952,1.62393952,GGA+U,P1,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O,20.0,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O +mp-754332,LiFe7(OF3)3,-6.916575332,-2.2544529231,0.062082367,0.062082367,GGA+U,P1,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O,20.0,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O +mp-1377469,LiFe7(OF3)3,-5.7276530265000005,-1.0655306176,1.2510046725,1.2510046725,GGA+U,P1,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O,20.0,A9B7CD3_aP20_1_9a_7a_a_3a:F-Fe-Li-O +mp-1177694,Li3Fe2OF5,-5.9865663109,-2.6073940774,0.0959195141,0.0959195141,GGA+U,P1,A5B2C3D_aP22_1_10a_4a_6a_2a:F-Fe-Li-O,22.0,"Invalid WP multiplicities - A5B2C3D_oF88_22_2f6k_ace_bd2ej_i:F-Fe-Li-O, expected Li4Fe2OF14 to be Li3Fe2OF5" +mp-773547,Li3Fe2OF5,-5.9907935814,-2.6116213478,0.0916922436,0.0916922436,GGA+U,C2,A5B2C3D_mC44_5_2a4c_abc_ab2c_2b:F-Fe-Li-O,22.0,"Invalid WP multiplicities - A5B2C3D_oF88_22_2f6k_ace_bd2ej_i:F-Fe-Li-O, expected Li4Fe2OF14 to be Li3Fe2OF5" +mp-756260,Li3Fe2OF5,-5.9781136277,-2.5989413942,0.1043721973,0.1043721973,GGA+U,F222,A5B2C3D_oF88_22_f2k_ace_bdej_i:F-Fe-Li-O,22.0,"Invalid WP multiplicities - A5B2C3D_oF88_22_2f6k_ace_bd2ej_i:F-Fe-Li-O, expected Li4Fe2OF14 to be Li3Fe2OF5" +mp-755329,Li3Fe(OF)2,-5.9790755341,-2.4899348881,0.0658238581,0.0658238581,GGA+U,P2/c,A2BC3D2_mP16_13_g_e_e2f_g:F-Fe-Li-O,32.0,A2BC3D2_mP16_13_g_e_e2f_g:F-Fe-Li-O +mp-761205,Li2Fe7(OF2)4,-6.8452190981,-2.169667632,0.1089245212,0.1089245212,GGA+U,Cc,A8B7C2D4_mC84_9_8a_7a_2a_4a:F-Fe-Li-O,42.0,"Invalid WP multiplicities - A8B7C2D4_mC84_9_16a_14a_2a_8a:F-Fe-Li-O, expected LiFe7(OF2)4 to be Li2Fe7(OF2)4" +mp-761233,Li3FeO2F,-5.8976449532,-2.1831240675,0.0646523986,0.0646523986,GGA+U,Pnnm,ABC3D2_oP28_58_g_g_3g_2g:F-Fe-Li-O,28.0,ABC3D2_oP28_58_g_g_3g_2g:F-Fe-Li-O +mp-1177682,Li3Fe2(OF)3,-6.3416952691,-2.4106667185,0.0925097573,0.0925097573,GGA+U,R3m,A3B2C3D3_hR33_160_3a_2a_3a_3a:F-Fe-Li-O,11.0,A3B2C3D3_hR33_160_3a_2a_3a_3a:F-Fe-Li-O +mp-831271,LiFe3O3F4,-6.7374568982,-2.2097324891,0.1108697795,0.1108697795,GGA+U,R3m,A4B3CD3_hR33_160_ab_b_a_b:F-Fe-Li-O,11.0,"Invalid WP multiplicities - A4B3CD3_hR33_160_a2b_b_a_b:F-Fe-Li-O, expected LiFe3O3F7 to be LiFe3O3F4" +mp-849572,Li2Fe3OF6,-6.3252812788,-2.5216586221,0.0767606412,0.0767606412,GGA+U,P1,A6B3C2D_aP48_1_24a_12a_8a_4a:F-Fe-Li-O,48.0,A6B3C2D_aP48_1_24a_12a_8a_4a:F-Fe-Li-O +mp-856977,Li3Fe4O3F5,-5.7778502007,-1.5108959066,0.8667755363,0.8667755363,GGA+U,P1,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O,15.0,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O +mp-849305,Li3Fe4O3F5,-6.5476171353,-2.2806628413,0.0970086017,0.0970086017,GGA+U,P1,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O,15.0,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O +mp-1411502,Li3Fe4O3F5,-4.359209784,-0.0922554899,2.285415953,2.285415953,GGA+U,P1,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O,15.0,A5B4C3D3_aP15_1_5a_4a_3a_3a:F-Fe-Li-O +mp-1279363,LiFeOF,-6.5341902369,-2.224912298,0.0991377681,0.0991377681,GGA+U,P2/m,ABCD_mP16_10_2m_2n_acm_bfn:F-Fe-Li-O,16.0,ABCD_oC8_65_a_d_b_c:F-Fe-Li-O +mp-1272771,LiFeOF,-6.557600035,-2.2483220961,0.07572797,0.07572797,GGA+U,Cmmm,ABCD_oC8_65_a_d_b_c:F-Fe-Li-O,8.0,ABCD_oC8_65_a_d_b_c:F-Fe-Li-O +mp-775022,LiFeOF,-6.54399039,-2.2347124511,0.089337615,0.089337615,GGA+U,P4/mmm,ABCD_tP4_123_a_b_c_d:F-Fe-Li-O,8.0,ABCD_oC8_65_a_d_b_c:F-Fe-Li-O +mp-1176712,LiFe7O7F,-7.7352019537,-1.6266162486,0.0660129188,0.0660129188,GGA+U,Amm2,AB7CD7_oC32_38_a_b3c_a_b3c:F-Fe-Li-O,16.0,"Invalid WP multiplicities - AB7CD7_oC32_38_a_b5c_a_b5c:F-Fe-Li-O, expected LiFe11O11F to be LiFe7O7F" +mp-1176721,LiFe5O5F,-7.6017512117,-1.6930885916,0.0696984533,0.0696984533,GGA+U,Cm,AB5CD5_mC24_8_a_5a_a_5a:F-Fe-Li-O,12.0,AB5CD5_mC24_8_a_5a_a_5a:F-Fe-Li-O +mp-766142,LiFe5O5F,-7.6041878708,-1.6955252508,0.0672617942,0.0672617942,GGA+U,Amm2,AB5CD5_oC24_38_a_b2c_a_b2c:F-Fe-Li-O,12.0,AB5CD5_oC24_38_a_b2c_a_b2c:F-Fe-Li-O +mp-753082,LiFe5O5F,-7.2918053858,-1.3831427658,0.3796442792,0.3796442792,GGA+U,P-6m2,AB5CD5_hP12_187_a_bgh_c_dgh:F-Fe-Li-O,12.0,AB5CD5_hP12_187_a_bgh_c_dgh:F-Fe-Li-O +mp-755479,Li2Fe4O3F8,-6.4257065276,-2.435716619,0.0651055141,0.0651055141,GGA+U,P-1,A8B4C2D3_aP17_2_4i_2i_i_ai:F-Fe-Li-O,17.0,"Invalid WP multiplicities - A8B4C2D3_aP17_2_7i_3i_i_ai:F-Fe-Li-O, expected Li2Fe6O3F14 to be Li2Fe4O3F8" +mp-807760,Li2Fe4O3F8,-5.60834243,-1.6183525213,0.8824696118,0.8824696118,GGA+U,P-1,A8B4C2D3_aP17_2_4i_2i_i_ai:F-Fe-Li-O,17.0,"Invalid WP multiplicities - A8B4C2D3_aP17_2_7i_3i_i_ai:F-Fe-Li-O, expected Li2Fe6O3F14 to be Li2Fe4O3F8" +mp-760363,LiFe2OF3,-6.5730885179000005,-2.3545041035,0.0844489129,0.0844489129,GGA+U,P1,A3B2CD_aP28_1_12a_8a_4a_4a:F-Fe-Li-O,28.0,A3B2CD_aP28_1_12a_8a_4a_4a:F-Fe-Li-O +mp-759258,LiFe2OF3,-6.5634494546,-2.3448650403,0.0940879761,0.0940879761,GGA+U,Pm,A3B2CD_mP28_6_2a2b4c_2a2b2c_2a2b_2a2b:F-Fe-Li-O,28.0,A3B2CD_mP28_6_2a2b4c_2a2b2c_2a2b_2a2b:F-Fe-Li-O +mp-752775,LiFe2OF3,-6.4611329664,-2.2425485521,0.1964044643,0.1964044643,GGA+U,C2/m,A3B2CD_mC28_12_ij_ei_ac_i:F-Fe-Li-O,14.0,"Invalid WP multiplicities - A3B2CD_mC28_12_2i2j_2e2i_ad_i:F-Fe-Li-O, expected LiFe4OF6 to be LiFe2OF3" +mp-1176740,LiFe2OF3,-6.5949138679,-2.3763294535,0.0626235629,0.0626235629,GGA+U,C2/m,A3B2CD_mC28_12_ij_ade_i_i:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_aP28_2_11i_ab3i_3i_3i:F-Fe-Li-O, expected Li3Fe4O3F11 to be LiFe2OF3" +mp-755273,LiFe2OF3,-6.5753124707,-2.3567280564,0.08222496,0.08222496,GGA+U,P222_1,A3B2CD_oP28_17_3e_ace_bd_e:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_oP28_17_5e_ac2e_2bd_e:F-Fe-Li-O, expected Li3Fe6(OF5)2 to be LiFe2OF3" +mp-754813,LiFe2OF3,-6.6116935646,-2.3931091503,0.0458438661,0.0458438661,GGA+U,Imm2,A3B2CD_oI56_44_abc2e_abce_2c_abc:F-Fe-Li-O,28.0,A3B2CD_oI56_44_abc2e_abce_2c_abc:F-Fe-Li-O +mp-760175,LiFe2OF3,-6.6069192314,-2.3883348171,0.0506181993,0.0506181993,GGA+U,Pnma,A3B2CD_oP28_62_cd_ac_c_c:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_oP28_62_2c2d_2a2c_c_c:F-Fe-Li-O, expected LiFe4OF6 to be LiFe2OF3" +mp-776904,LiFe2OF3,-6.6233297893,-2.4047453749,0.0342076414,0.0342076414,GGA+U,Pnma,A3B2CD_oP28_62_cd_ac_c_c:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_oP28_62_3c2d_2a2c_c_c:F-Fe-Li-O, expected LiFe4OF7 to be LiFe2OF3" +mp-778119,LiFe2OF3,-6.6134854446,-2.3949010303,0.0440519861,0.0440519861,GGA+U,Pnma,A3B2CD_oP28_62_cd_ac_c_c:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_oP28_62_2c3d_2a2c_c_c:F-Fe-Li-O, expected LiFe4OF8 to be LiFe2OF3" +mp-775178,LiFe2OF3,-6.5669648357,-2.3483804214,0.090572595,0.090572595,GGA+U,P4_3,A3B2CD_tP28_78_3a_2a_a_a:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_tP28_78_7a_4a_a_a:F-Fe-Li-O, expected LiFe4OF7 to be LiFe2OF3" +mp-1275794,LiFe2OF3,-6.6230017907,-2.4044173764,0.03453564,0.03453564,GGA+U,P-3m1,A3B2CD_hP14_164_i_af_d_d:F-Fe-Li-O,14.0,"Invalid WP multiplicities - A3B2CD_hP14_164_i_a2f_d_d:F-Fe-Li-O, expected Li2Fe7(OF3)2 to be LiFe2OF3" +mp-1176736,LiFe2OF3,-6.6122245529,-2.3936401385,0.0453128779,0.0453128779,GGA+U,R-3m,A3B2CD_hR42_166_h_ad_c_c:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A3B2CD_hR42_166_h_a2d_c_c:F-Fe-Li-O, expected Li2Fe7(OF3)2 to be LiFe2OF3" +mp-776489,Li2FeO2F,-6.26574102,-2.2502871311,0.1020763312,0.1020763312,GGA+U,P1,ABC2D2_aP24_1_4a_4a_8a_8a:F-Fe-Li-O,24.0,ABC2D2_aP24_1_4a_4a_8a_8a:F-Fe-Li-O +mp-850404,Li2FeO2F,-6.3089076912,-2.2934538024,0.05890966,0.05890966,GGA+U,C2,ABC2D2_mC48_5_2c_a3b_2a3c_4c:F-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D2_mC48_5_4c_a3b_2a6c_7c:F-Fe-Li-O, expected Li7Fe2O7F4 to be Li2FeO2F" +mp-849459,Li2FeO2F,-6.30254971,-2.2870958211,0.0652676412,0.0652676412,GGA+U,Cc,ABC2D2_mC24_9_a_a_2a_2a:F-Fe-Li-O,12.0,ABC2D2_mC24_9_a_a_2a_2a:F-Fe-Li-O +mp-754677,Li2FeO2F,-6.2676913133,-2.2522374244,0.1001260379,0.1001260379,GGA+U,Cc,ABC2D2_mC48_9_2a_2a_4a_4a:F-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D2_mC48_9_4a_4a_6a_8a:F-Fe-Li-O, expected Li3Fe2(O2F)2 to be Li2FeO2F" +mp-776565,Li2FeO2F,-6.2700446667,-2.2545907778,0.0977726846,0.0977726846,GGA+U,C2/m,ABC2D2_mC24_12_i_g_adh_j:F-Fe-Li-O,12.0,ABC2D2_mC24_12_i_g_ach_j:F-Fe-Li-O +mp-780532,Li2FeO2F,-6.2800411021,-2.2645872132,0.0877762492,0.0877762492,GGA+U,C2/c,ABC2D2_mC48_15_f_f_c3e_2f:F-Fe-Li-O,24.0,ABC2D2_mC48_15_f_f_c3e_2f:F-Fe-Li-O +mp-776471,Li2FeO2F,-6.2670336771,-2.2515797882,0.1007836742,0.1007836742,GGA+U,C2/c,ABC2D2_mC48_15_f_2e_cef_2f:F-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D2_mC48_15_f_3e_2a2e4f_5f:F-Fe-Li-O, expected Li12Fe3(O5F)2 to be Li2FeO2F" +mp-775979,Li2FeO2F,-6.2732466208,-2.2577927319,0.0945707304,0.0945707304,GGA+U,C2/c,ABC2D2_mC48_15_f_2e_cef_2f:F-Fe-Li-O,24.0,"Invalid WP multiplicities - ABC2D2_mC48_15_f_3e_2a2e3f_7f:F-Fe-Li-O, expected Li10Fe3(O7F)2 to be Li2FeO2F" +mp-780202,Li2FeO2F,-6.3330735129,-2.317619624,0.0347438383,0.0347438383,GGA+U,Pnma,ABC2D2_oP24_62_c_c_2c_2c:F-Fe-Li-O,24.0,ABC2D2_oP24_62_c_c_2c_2c:F-Fe-Li-O +mp-754758,Li2FeO2F,-6.3650411742,-2.3495872853,0.0027761771,0.0027761771,GGA+U,P-3m1,ABC2D2_hP12_164_d_d_abd_cd:F-Fe-Li-O,12.0,ABC2D2_hP12_164_d_d_abd_cd:F-Fe-Li-O +mp-1235661,LiFe8(OF)8,-7.038028706,-2.0566513469,0.1275030145,0.1275030145,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O +mp-1235795,LiFe8(OF)8,-7.022070518,-2.0406931589,0.1434612025,0.1434612025,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O +mp-1236701,LiFe8(OF)8,-7.0289059624,-2.0475286033,0.1366257581,0.1366257581,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Li-O +mp-1235637,Sr2LiFeO3F,-6.4041114388,-2.5904269282,0.1398278006,0.1398278006,GGA+U,P1,ABCD3E2_aP8_1_a_a_a_3a_2a:F-Fe-Li-O-Sr,8.0,ABCD3E2_aP8_1_a_a_a_3a_2a:F-Fe-Li-O-Sr +mp-1235959,Sr2LiFeO3F,-6.4316652737,-2.6179807632000003,0.1122739656,0.1122739656,GGA+U,Pmm2,ABCD3E2_oP8_25_a_b_b_a2d_2c:F-Fe-Li-O-Sr,8.0,ABCD3E2_oP8_25_a_b_b_a2d_2c:F-Fe-Li-O-Sr +mp-1235806,Sr2LiFeO3F,-6.1149743275,-2.3012898169,0.4289649119,0.4289649119,GGA+U,I4mm,ABCD3E2_tI16_107_a_a_a_ab_2a:F-Fe-Li-O-Sr,8.0,ABCD3E2_tI16_107_a_a_a_ab_2a:F-Fe-Li-O-Sr +mp-755182,Li3Fe3(OF)4,-6.5157994764,-2.3322635518,0.0963388538,0.0963388538,GGA+U,Pm,A4B3C3D4_mP14_6_2a2b_2ab_a2b_2a2b:F-Fe-Li-O,14.0,A4B3C3D4_mP14_6_2a2b_2ab_a2b_2a2b:F-Fe-Li-O +mp-754565,LiFe6O7F5,-7.1490266858,-2.0483284783,0.0795936406,0.0795936406,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Li-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Li-O +mp-780876,Li6Fe(OF)3,-5.5679202352,-2.4526847393,0.0934296213,0.0934296213,GGA+U,R3m,A3BC6D3_hR39_160_b_a_c_b:F-Fe-Li-O,52.0,A3BC6D3_hR39_160_b_a_c_b:F-Fe-Li-O +mp-752956,Li3Fe3OF7,-6.0676716657,-2.534537829,0.1449564821,0.1449564821,GGA+U,Pm,A7B3C3D_mP14_6_3a4b_2ab_a2b_a:F-Fe-Li-O,14.0,A7B3C3D_mP14_6_3a4b_2ab_a2b_a:F-Fe-Li-O +mp-755122,Li3Fe3OF7,-6.02883412,-2.4957002833,0.1837940279,0.1837940279,GGA+U,Cm,A7B3C3D_mC28_8_3a2b_ab_3a_a:F-Fe-Li-O,14.0,"Invalid WP multiplicities - A7B3C3D_mC28_8_3a3b_ab_3a_a:F-Fe-Li-O, expected Li3Fe3OF9 to be Li3Fe3OF7" +mp-764593,Li3Fe3OF7,-6.1679143657,-2.634780529,0.0447137821,0.0447137821,GGA+U,Cc,A7B3C3D_mC56_9_7a_3a_3a_a:F-Fe-Li-O,28.0,"Invalid WP multiplicities - A7B3C3D_mC56_9_13a_5a_5a_a:F-Fe-Li-O, expected Li5Fe5OF13 to be Li3Fe3OF7" +mp-761257,Li2Fe4OF8,-6.38033365,-2.5179035817,0.079263219,0.079263219,GGA+U,P-1,A8B4C2D_aP30_2_8i_4i_2i_i:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A8B4C2D_aP30_2_15i_7i_3i_i:F-Fe-Li-O, expected Li3Fe7OF15 to be Li2Fe4OF8" +mp-849678,Li2Fe4OF8,-6.3655305038,-2.5031004355,0.0940663652,0.0940663652,GGA+U,Cc,A8B4C2D_mC120_9_16a_8a_4a_2a:F-Fe-Li-O,60.0,"Invalid WP multiplicities - A8B4C2D_mC120_9_29a_8a_4a_4a:F-Fe-Li-O, expected Li4Fe8O4F29 to be Li2Fe4OF8" +mp-849951,Li2Fe4OF8,-6.4026366833,-2.540206615,0.0569601857,0.0569601857,GGA+U,Cc,A8B4C2D_mC60_9_8a_4a_2a_a:F-Fe-Li-O,30.0,"Invalid WP multiplicities - A8B4C2D_mC60_9_16a_6a_2a_a:F-Fe-Li-O, expected Li2Fe6OF16 to be Li2Fe4OF8" +mp-755400,Li8FeO5F,-5.50331735,-2.1442289055,0.051991218,0.051991218,GGA+U,P1,ABC8D5_aP15_1_a_a_8a_5a:F-Fe-Li-O,15.0,ABC8D5_aP15_1_a_a_8a_5a:F-Fe-Li-O +mp-776549,Li8FeO5F,-5.5268024337,-2.1677139892,0.0285061343,0.0285061343,GGA+U,P6_3,ABC8D5_hP30_173_b_a_2b2c_abc:F-Fe-Li-O,30.0,"Invalid WP multiplicities - ABC8D5_hP30_173_b_a_4b9c_a2b3c:F-Fe-Li-O, expected Li31FeO12F to be Li8FeO5F" +mp-779353,Li3Fe5OF11,-6.299939306,-2.5974477058,0.055845397,0.055845397,GGA+U,P1,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O,20.0,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O +mp-807238,Li3Fe5OF11,-5.092826396,-1.3903347958,1.262958307,1.262958307,GGA+U,P1,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O,20.0,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O +mp-778257,Li3Fe5OF11,-6.250788982,-2.5482973818,0.104995721,0.104995721,GGA+U,P1,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O,20.0,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O +mp-1342745,Li3Fe5OF11,-5.810974557,-2.1084829568,0.544810146,0.544810146,GGA+U,P1,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O,20.0,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O +mp-1376805,Li3Fe5OF11,-5.3282448305,-1.6257532303,1.0275398725,1.0275398725,GGA+U,P1,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O,20.0,A11B5C3D_aP20_1_11a_5a_3a_a:F-Fe-Li-O +mp-1042146,AlBi(WO4)2,-8.3492277775,-2.2595748517,0.0750473962,0.0750473962,GGA+U,P2/c,ABC8D2_mP24_13_e_f_4g_g:Al-Bi-O-W,24.0,ABC8D2_mP24_13_e_f_4g_g:Al-Bi-O-W +mp-1327705,CaCrNiP2O9,-7.7867763659,-2.5878058341,2.39426e-05,2.39426e-05,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Cr-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Ca-Cr-Ni-O-P +mp-6671,Sm4Si2S3O7,-8.0547623747,-3.257190426,0.0,-0.0162812113,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Sm,64.0,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Sm +mp-12485,NaSm3SiS7,-6.0561511121,-1.9012552124,0.0264398446,0.0264398446,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Na-S-Si-Sm,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_b5c_b_c:Na-S-Si-Sm, expected NaSm3SiS16 to be NaSm3SiS7" +mp-686543,NaSm9Si6(SO12)2,-8.3770893439,-3.5357765465,0.0,-0.0069775081,GGA,Pc,AB24C2D6E9_mP84_7_a_24a_2a_6a_9a:Na-O-S-Si-Sm,84.0,"Invalid WP multiplicities - AB24C2D6E9_mP84_7_a_48a_2a_12a_18a:Na-O-S-Si-Sm, expected NaSm18Si12(SO24)2 to be NaSm9Si6(SO12)2" +mp-1220974,NaSm9Si6(SO12)2,-8.3767288726,-3.5354160752,0.0003604713,-0.0066170368,GGA,P3,AB24C2D6E9_hP42_143_a_8d_2b_2d_a2c2d:Na-O-S-Si-Sm,42.0,AB24C2D6E9_hP42_143_a_8d_2b_2d_a2c2d:Na-O-S-Si-Sm +mp-1216129,Y2Mn3Sb3O14,-8.021123968,-2.4729587961,0.0091043995,0.0091043995,GGA+U,C2/m,A3B14C3D2_mC44_12_abc_3i2j_de_f:Mn-O-Sb-Y,44.0,"Invalid WP multiplicities - A3B14C3D2_mC44_12_2abd_3i2j_cf_e:Mn-O-Sb-Y, expected Y2Mn4Sb3O14 to be Y2Mn3Sb3O14" +mp-1154524,Y2Mn3(SiO4)3,-8.8203319801,-3.0175716437,0.1152271513,0.1152271513,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mn-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mn-O-Si-Y +mp-1194598,Y2Mn(Si3O7)4,-8.5584797671,-3.3095016789,0.009031138,0.009031138,GGA+U,Ibam,AB28C12D2_oI172_72_a_2j6k_2j2k_f:Mn-O-Si-Y,86.0,AB28C12D2_oI172_72_a_2j6k_2j2k_f:Mn-O-Si-Y +mp-1216224,Y3Mn2Sb3O14,-8.1491537777,-2.7235133413,0.0,-0.0260453929,GGA+U,R-3m,A2B14C3D3_hR66_166_ab_c2h_d_e:Mn-O-Sb-Y,22.0,A2B14C3D3_hR66_166_ab_c2h_d_e:Mn-O-Sb-Y +mp-1044607,Y4Mn13Si2(SbO14)2,-8.6839997596,-2.508734337,0.0778394029,0.0778394029,GGA+U,C2/m,A13B28C2D2E4_mC98_12_a2g2j_2i6j_g_i_j:Mn-O-Sb-Si-Y,49.0,"Invalid WP multiplicities - A13B28C2D2E4_mC98_12_a4g7j_4i21j_g_i_j:Mn-O-Sb-Si-Y, expected Y4Mn37Si2(SbO46)2 to be Y4Mn13Si2(SbO14)2" +mp-1216107,Y2MnSbO7,-8.4717150095,-2.9398259425,0.0018157018,0.0018157018,GGA+U,Imma,AB7CD2_oI44_74_a_3ej_c_bd:Mn-O-Sb-Y,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_5e2j_c_bd:Mn-O-Sb-Y, expected Y2MnSbO13 to be Y2MnSbO7" +mp-636359,VFe2Sn,-7.5056674275,0.0027126588,0.1042964742,0.1042964742,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Sn-V,4.0,A2BC_cF16_225_c_a_b:Fe-Sn-V +mp-779746,Li4V3Fe2Sn3O16,-7.2925016468,-2.1852449667,0.0512222621,0.0512222621,GGA+U,P1,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Fe-Li-O-Sn-V,28.0,A2B4C16D3E3_aP28_1_2a_4a_16a_3a_3a:Fe-Li-O-Sn-V +mp-776806,Li4V3Fe3(SnO8)2,-7.4563008004,-2.1897423576,0.0197984261,0.0197984261,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sn-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Fe-Li-O-Sn-V +mp-776121,Li4V3Fe3(SnO8)2,-7.4345544239,-2.1679959812,0.0415448025,0.0415448025,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sn-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_a2b:Fe-Li-O-Sn-V, expected Li4V5Fe3(SnO10)2 to be Li4V3Fe3(SnO8)2" +mp-1216897,V2FeSn,-7.6772014062,-0.015350105,0.1076487898,0.1076487898,GGA,Amm2,ABC2_oC16_38_d_ab_abe:Fe-Sn-V,8.0,ABC2_oC16_38_d_ab_abe:Fe-Sn-V +mp-726812,OsBr2N3O2,-6.2298845253,-0.0753487394,0.5909382552,0.5909382552,GGA,P2_1/c,A2B3C2D_mP32_14_2e_3e_2e_e:Br-N-O-Os,32.0,A2B3C2D_mP32_14_2e_3e_2e_e:Br-N-O-Os +mp-1106188,Os2N4Cl10O,-4.24946076,0.4112904089,1.0345296375,1.0345296375,GGA,I4/mmm,A10B4CD2_tI34_139_em_cd_a_e:Cl-N-O-Os,17.0,A10B4CD2_tI34_139_em_cd_a_e:Cl-N-O-Os +mp-1204109,OsBr2N4ClO2,-5.514833311,0.4272984763,1.0239532712,1.0239532712,GGA,Pnma,A2BC4D2E_oP40_62_d_c_2cd_2c_c:Br-Cl-N-O-Os,40.0,A2BC4D2E_oP40_62_d_c_2cd_2c_c:Br-Cl-N-O-Os +mp-1180015,OsBr3N5O,-5.271653408,0.9799081676,1.3972655543,1.3972655543,GGA,I4mm,A3B5CD_tI20_107_ab_ac_a_a:Br-N-O-Os,10.0,A3B5CD_tI20_107_ab_ac_a_a:Br-N-O-Os +mp-1078848,OsBrN5Cl2O,-5.093281255,1.2173819866,1.7168770864,1.7168770864,GGA,I4mm,AB2C5DE_tI20_107_a_b_ac_a_a:Br-Cl-N-O-Os,10.0,AB2C5DE_tI20_107_a_b_ac_a_a:Br-Cl-N-O-Os +mp-1520259,KLaGdSbO6,-8.237865332,-2.844699152,0.131583627,0.131583627,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Gd-K-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Gd-K-La-O-Sb +mp-1516503,KHfNbInO6,-8.139146518,-2.7790756166,0.1886358886,0.1886358886,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Hf-In-K-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Hf-In-K-Nb-O +mp-1191554,CsRbC2,-4.7596916894,0.323625168,0.3484411841,0.3484411841,GGA,Pnma,A2BC_oP16_62_d_c_c:C-Cs-Rb,16.0,A2BC_oP16_62_d_c_c:C-Cs-Rb +mp-505661,Cs2RbFe(CN)6,-7.5558836731,-0.2663635149,0.060395443,0.060395443,GGA,P2_1/c,A6B2CD6E_mP32_14_3e_e_a_3e_d:C-Cs-Fe-N-Rb,32.0,A6B2CD6E_mP32_14_3e_e_a_3e_b:C-Cs-Fe-N-Rb +mp-5072,Rb2HgO2,-3.736955248,-1.3053300615,0.0,-0.318426295,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Hg-O-Rb,5.0,AB2C2_tI10_139_a_e_e:Hg-O-Rb +mp-560324,Rb3Hg2S3ClO12,-5.5368297445,-1.8622052806,0.0,-0.0203363606,GGA,P2_1,AB2C12D3E3_mP42_4_a_2a_12a_3a_3a:Cl-Hg-O-Rb-S,42.0,"Invalid WP multiplicities - AB2C12D3E3_mP42_4_a_3a_22a_5a_5a:Cl-Hg-O-Rb-S, expected Rb5Hg3S5ClO22 to be Rb3Hg2S3ClO12" +mp-1186886,RbHgO3,-3.700536122,-0.4756800077,0.3636608735,0.3636608735,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Hg-O-Rb,5.0,AB3C_cP5_221_b_c_a:Hg-O-Rb +mp-1048276,YSb3Se2ClO8,-6.0484721483,-1.5639825391,0.3972806612,0.3972806612,GGA,Pmmn,AB8C3D2E_oP30_59_b_2eg_ac_e_a:Cl-O-Sb-Se-Y,30.0,"Invalid WP multiplicities - AB8C3D2E_oP30_59_b_5e3g_a2c_e_a:Cl-O-Sb-Se-Y, expected YSb5Se2ClO22 to be YSb3Se2ClO8" +mp-559150,Na9ZrP4ClO16,-6.6706745974,-2.6997328446,0.0,-0.0051424674,GGA,P1,AB9C16D4E_aP31_1_a_9a_16a_4a_a:Cl-Na-O-P-Zr,31.0,AB9C16D4E_aP31_1_a_9a_16a_4a_a:Cl-Na-O-P-Zr +mp-699457,Na2ZnGe2(HO2)4,-5.7116209232,-1.8118995245,0.0,-0.0032483787,GGA,Pbcn,A2B4C2D8E_oP136_60_2d_4d_acd_2c7d_d:Ge-H-Na-O-Zn,136.0,A2B4C2D8E_oP136_60_2d_4d_acd_2c7d_d:Ge-H-Na-O-Zn +mp-1220928,Rb2Mo6H2Cl14O,-5.1775956084,-0.9917306946,0.5038773913,0.5038773913,GGA+U,Cc,A14B2C6DE2_mC100_9_14a_2a_6a_a_2a:Cl-H-Mo-O-Rb,50.0,A14B2C6DE2_mC100_9_14a_2a_6a_a_2a:Cl-H-Mo-O-Rb +mp-581446,Ba8Re2(WO8)3,-8.0643717351,-2.7174589338,0.0477052444,0.0477052444,GGA+U,R-3m,A8B24C2D3_hR111_166_4c_4h_c_ac:Ba-O-Re-W,37.0,"Invalid WP multiplicities - A8B24C2D3_hR111_166_6c_20h_c_ac:Ba-O-Re-W, expected Ba12Re2(WO40)3 to be Ba8Re2(WO8)3" +mp-1206861,Ba2ScReO6,-8.283546061,-3.0540382172,0.0,-0.034112714,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Sc,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Sc +mp-1228167,Ba4ScReWO12,-8.1941282516,-2.9956392613,0.0,-0.0427775066,GGA+U,R3m,A4B12CDE_hR57_160_4a_4b_a_a_a:Ba-O-Re-Sc-W,19.0,A4B12CDE_hR57_160_4a_4b_a_a_a:Ba-O-Re-Sc-W +mp-1216554,Tm2TeS2,-6.199950412,-2.1263751173,7.826400000000001e-05,7.826400000000001e-05,GGA,Immm,A2BC2_oI10_71_e_a_f:S-Te-Tm,5.0,A2BC2_oI10_71_e_a_f:S-Te-Tm +mp-1190351,Tm2CuTe2(SO7)2,-6.8994875257,-2.2869146212,0.0198569704,0.0198569704,GGA,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Tm,21.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Cu-O-S-Te-Tm +mp-640889,Tm(CuTe)3,-4.4467744786,-0.7034354624,0.0055216825,-0.0049769977,GGA,Pmn2_1,A3B3C_oP28_31_2a2b_2a2b_b:Cu-Te-Tm,28.0,"Invalid WP multiplicities - A3B3C_oP28_31_3a7b_3a7b_b:Cu-Te-Tm, expected Tm2(CuTe)17 to be Tm(CuTe)3" +mp-2514049,Tm(CuTe)3,-4.4522961611,-0.7089571449000001,0.0,-0.0104986802,GGA,Pnnm,A3B3C_oP28_58_gh_gh_e:Cu-Te-Tm,28.0,"Invalid WP multiplicities - A3B3C_oP28_58_2g3h_3g4h_e:Cu-Te-Tm, expected TmCu8Te11 to be Tm(CuTe)3" +mp-1216875,Tm(CuTe)3,-4.4014371907,-0.6580981745000001,0.0508589704,0.0403602902,GGA,R-3,A3B3C_hR42_148_f_f_c:Cu-Te-Tm,14.0,A3B3C_hR42_148_f_f_c:Cu-Te-Tm +mp-1216671,TmCuTe2,-4.77478882,-1.05937535,0.0305616729,0.0305616729,GGA,P3m1,AB2C_hP4_156_a_ab_c:Cu-Te-Tm,4.0,AB2C_hP4_156_a_ab_c:Cu-Te-Tm +mp-1206396,TmCuTe2,-4.71036847,-0.994955,0.0949820229,0.0949820229,GGA,P-3m1,AB2C_hP4_164_a_d_b:Cu-Te-Tm,4.0,AB2C_hP4_164_a_d_b:Cu-Te-Tm +mp-1046186,Sr2YCu2SnO7,-6.7394440908,-2.3794237682,0.113352409,0.113352409,GGA,Ima2,A2B7CD2E_oI52_46_c_b3c_b_c_a:Cu-O-Sn-Sr-Y,26.0,A2B7CD2E_oI52_46_c_b3c_b_c_a:Cu-O-Sn-Sr-Y +mp-560833,B3Pb6ClO10,-6.7410662071,-2.0595921319,0.0,-0.0129593931,GGA,Pbcm,A3BC10D6_oP80_57_de_d_2d4e_2d2e:B-Cl-O-Pb,80.0,"Invalid WP multiplicities - A3BC10D6_oP80_57_3d4e_d_8d26e_8d11e:B-Cl-O-Pb, expected B11Pb30ClO60 to be B3Pb6ClO10" +mp-557103,B5Pb2ClO9,-7.6938532559,-2.5649716056000003,0.0,-0.0421366887,GGA,Pnn2,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Cl-O-Pb,68.0,"Invalid WP multiplicities - A5BC9D2_oP68_34_20c_2ab_31c_8c:B-Cl-O-Pb, expected B40Pb16Cl3O62 to be B5Pb2ClO9" +mp-1195990,B10Pb4Cl2O19,-7.5638543379,-2.4401782001,0.0545513734,0.0545513734,GGA,Pnn2,A10B2C19D4_oP70_34_5c_ab_a9c_2c:B-Cl-O-Pb,70.0,A10B2C19D4_oP70_34_5c_ab_a9c_2c:B-Cl-O-Pb +mp-1199541,NaB5PbO9,-7.864031972,-2.6795113709,0.0,-0.0139673539,GGA,P2_1/c,A5BC9D_mP64_14_5e_e_9e_e:B-Na-O-Pb,64.0,A5BC9D_mP64_14_5e_e_9e_e:B-Na-O-Pb +mp-1221108,NaB10Pb4Cl2O19,-7.4831008729,-2.4650122586,0.0600773616,0.0600773616,GGA,Pc,A10B2CD19E4_mP72_7_10a_2a_a_19a_4a:B-Cl-Na-O-Pb,72.0,"Invalid WP multiplicities - A10B2CD19E4_mP72_7_15a_2a_a_28a_6a:B-Cl-Na-O-Pb, expected NaB15Pb6(ClO14)2 to be NaB10Pb4Cl2O19" +mp-1523292,KSrEuFeO6,-7.202831349,-2.0821265812,0.1098832856,0.1098832856,GGA+U,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Eu-Fe-K-O-Sr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Eu-Fe-K-O-Sr +mp-1233219,Y5Mg(MoO6)2,-8.9531623305,-3.2039523119,0.1329353394,0.1329353394,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Y,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Mg-Mo-O-Y +mp-1233512,Y5Mg(MoO6)2,-8.928186297,-3.1789762784,0.1579113729,0.1579113729,GGA+U,Cm,AB2C12D5_mC40_8_a_b_4a4b_5a:Mg-Mo-O-Y,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_8_a_b_4a6b_5a:Mg-Mo-O-Y, expected Y5Mg(MoO8)2 to be Y5Mg(MoO6)2" +mp-1234077,Y5Mg(MoO6)2,-8.981290706,-3.2320806874,0.1048069639,0.1048069639,GGA+U,C2/m,AB2C12D5_mC40_12_a_h_2i2j_b2i:Mg-Mo-O-Y,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_12_a_h_2i3j_b2i:Mg-Mo-O-Y, expected Y5Mg(MoO8)2 to be Y5Mg(MoO6)2" +mp-2219460,YMgMo3O8,-8.58067746,-2.4131996767,0.1199746753,0.1199746753,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Y,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Y +mp-2242330,YMgMo3O8,-8.5854186277,-2.4179408444,0.1152335076,0.1152335076,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Y,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mo-O-Y +mp-2218851,YMgMo3O8,-8.5150751354,-2.3475973521,0.1855769999,0.1855769999,GGA+U,C2/m,AB3C8D_mC26_12_a_cf_2ij_b:Mg-Mo-O-Y,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_a_ce_4i3j_b:Mg-Mo-O-Y, expected YMgMo3O20 to be YMgMo3O8" +mp-2226833,YMgMo3O8,-8.5114071215,-2.3439293382,0.1892450138,0.1892450138,GGA+U,C2/m,AB3C8D_mC26_12_a_be_2ij_c:Mg-Mo-O-Y,13.0,"Invalid WP multiplicities - AB3C8D_aP13_2_a_bcg_8i_d:Mg-Mo-O-Y, expected YMgMo3O16 to be YMgMo3O8" +mp-2226805,Y2MgMo2(ClO4)2,-7.9489574373,-2.6492837369,0.1289572845,0.1289572845,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Y,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_8c_c:Cl-Mg-Mo-O-Y, expected Y2MgMo2(ClO8)2 to be Y2MgMo2(ClO4)2" +mp-2226822,Y2MgMo2(ClO4)2,-7.9243929613,-2.6247192609,0.1535217605,0.1535217605,GGA+U,C2,A2BC2D8E2_mC30_5_c_a_c_4c_c:Cl-Mg-Mo-O-Y,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_5_c_a_c_8c_c:Cl-Mg-Mo-O-Y, expected Y2MgMo2(ClO8)2 to be Y2MgMo2(ClO4)2" +mp-2242230,Y2MgMo2(ClO4)2,-7.7987352073,-2.4990615069,0.2791795145,0.2791795145,GGA+U,Cm,A2BC2D8E2_mC30_8_2a_a_2a_4a2b_2a:Cl-Mg-Mo-O-Y,15.0,"Invalid WP multiplicities - A2BC2D8E2_mC30_8_2a_a_2a_4a4b_2a:Cl-Mg-Mo-O-Y, expected Y2MgMo2(ClO6)2 to be Y2MgMo2(ClO4)2" +mp-1521380,EuZnBiWO6,-7.83660987,-2.0370601663,0.1957458344,0.1957458344,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Bi-Eu-O-W-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:Bi-Eu-O-W-Zn +mp-1041737,Zn2BiWO6,-6.629144467,-1.7293205823000002,0.1787056855,0.1787056855,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Bi-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Bi-O-W-Zn +mp-1344198,Zn2BiWO6,-6.708735009,-1.8089111243,0.0991151435,0.0991151435,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Bi-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_b_e:Bi-O-W-Zn +mp-1044359,ZnBiWO5,-7.1209891156,-1.7720132998,0.16513572,0.16513572,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Bi-O-W-Zn,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_15e_e_e:Bi-O-W-Zn, expected ZnBiWO15 to be ZnBiWO5" +mp-1042736,ZnBiWO5,-7.1371619273,-1.7881861116,0.1489629083,0.1489629083,GGA+U,Pbca,AB5CD_oP64_61_c_5c_c_c:Bi-O-W-Zn,64.0,"Invalid WP multiplicities - AB5CD_oP64_61_c_31c_c_c:Bi-O-W-Zn, expected ZnBiWO31 to be ZnBiWO5" +mp-1223568,KCe(MoO4)2,-8.1846699758,-2.4923118082,0.0576937696,0.0576937696,GGA+U,I-4,ABC2D8_tI24_82_a_c_bd_2g:Ce-K-Mo-O,12.0,"Invalid WP multiplicities - ABC2D8_tI24_82_a_c_bd_3g:Ce-K-Mo-O, expected KCe(MoO6)2 to be KCe(MoO4)2" +mp-1223771,KCeFeMoO6,-7.4568591755,-1.8529300066,0.699488768,0.699488768,GGA+U,Pc,ABCDE6_mP20_7_a_a_a_a_6a:Ce-Fe-K-Mo-O,20.0,ABCDE6_mP20_7_a_a_a_a_6a:Ce-Fe-K-Mo-O +mp-1224672,K3FeMo4O15,-7.6860717022,-2.0606739126,0.014286382,0.014286382,GGA+U,C2/m,AB3C4D15_mC92_12_i_3i_4i_7i4j:Fe-K-Mo-O,,AB3C4D15_mC92_12_i_3i_4i_7i4j:Fe-K-Mo-O +mp-1181219,K3FeMo4O15,-7.6929356016,-2.0675378121,0.0074224825,0.0074224825,GGA+U,C2/c,AB3C4D15_mC184_15_f_3f_4f_15f:Fe-K-Mo-O,92.0,"Invalid WP multiplicities - AB3C4D15_mC184_15_f_10f_12f_57f:Fe-K-Mo-O, expected K10Fe(Mo4O19)3 to be K3FeMo4O15" +mp-19362,KFe(MoO4)2,-7.9145342821,-2.0107651098,0.0,-0.0104485234,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:Fe-K-Mo-O,24.0,ABC2D8_hP12_164_a_b_d_di:Fe-K-Mo-O +mp-554148,KFe(MoO4)2,-7.9138786096,-2.0101094373,0.0006556725,-0.0097928509,GGA+U,P-3c1,ABC2D8_hP24_165_b_a_d_dg:Fe-K-Mo-O,24.0,ABC2D8_hP24_165_b_a_d_dg:Fe-K-Mo-O +mp-1103886,KFe2(MoO5)2,-7.7055124207,-1.7582705074,0.1349840354,0.1349840354,GGA+U,C2/m,A2BC2D10_mC30_12_f_a_i_3ij:Fe-K-Mo-O,15.0,A2BC2D10_mC30_12_e_a_i_3ij:Fe-K-Mo-O +mp-1046412,SrMgNi(PO4)2,-7.4120499423,-2.8374326433,0.0098592133,0.0098592133,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Mg-Ni-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Mg-Ni-O-P-Sr, expected SrMgNi(PO7)2 to be SrMgNi(PO4)2" +mp-1375312,SrMgNi(PO4)2,-3.7444943138,0.8301229851,3.6774148417,3.6774148417,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Mg-Ni-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Mg-Ni-O-P-Sr, expected SrMgNi(PO7)2 to be SrMgNi(PO4)2" +mp-1192987,BiW2(Br4O)2,-5.2666984777,-1.260978966,0.0517113856,0.0517113856,GGA+U,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:Bi-Br-O-W,26.0,AB8C2D2_aP26_2_i_8i_2i_2i:Bi-Br-O-W +mp-1217217,Ti3Bi6WO18,-7.6816154546,-2.3699033881,0.0008308038,0.0008308038,GGA+U,P1,A6B18C3D_aP28_1_6a_18a_3a_a:Bi-O-Ti-W,28.0,A6B18C3D_aP28_1_6a_18a_3a_a:Bi-O-Ti-W +mp-1217238,TiBi8W(BrO8)2,-6.7349008682,-1.955236178,0.0059252061,0.0059252061,GGA+U,C2,A8B2C16DE_mC56_5_4c_c_8c_a_b:Bi-Br-O-Ti-W,28.0,A8B2C16DE_mC56_5_4c_c_8c_a_b:Bi-Br-O-Ti-W +mp-1198859,Bi(WBr3)3,-5.3620487117,-1.0011152663,0.0091543375,0.0091543375,GGA,P2_1/c,AB9C3_mP52_14_e_9e_3e:Bi-Br-W,52.0,AB9C3_mP52_14_e_9e_3e:Bi-Br-W +mp-1096252,TiNbW2,-6.21473214,4.7635322392,4.7943110925,4.7943110925,GGA,Immm,ABC2_oI8_71_a_b_e:Nb-Ti-W,4.0,ABC2_oI8_71_a_b_e:Nb-Ti-W +mp-1217348,TiNbBi5WO15,-7.6602139198,-2.2533572413,0.0056503186,0.0056503186,GGA+U,C2,A5BC15DE_mC92_5_5c_c_15c_c_ab:Bi-Nb-O-Ti-W,46.0,A5BC15DE_mC92_5_5c_c_15c_c_ab:Bi-Nb-O-Ti-W +mp-1097625,TiNb2W,-5.7466435275,4.5174145542,4.5381728967,4.5381728967,GGA,Immm,A2BC_oI8_71_e_a_b:Nb-Ti-W,4.0,A2BC_oI8_71_e_a_b:Nb-Ti-W +mp-1522177,BaEuVSnO6,-8.158396667,-2.6634379738,0.1261275916,0.1261275916,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-V,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Sn-V +mp-1519521,BaSrGdVO6,-8.767199453,-3.1223365559,0.1221793818,0.1221793818,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Gd-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Gd-O-Sr-V +mp-1520195,Sr2GdVO6,-8.734143526,-3.1122287776,0.1320853698,0.1320853698,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Gd-O-Sr-V,10.0,AB6C2D_cF40_225_a_e_c_b:Gd-O-Sr-V +mp-1521698,BaCaFeWO6,-8.002692905,-2.4994070523,0.1576965892,0.1576965892,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Fe-O-W +mp-1222091,MgTi2Pb4WO12,-7.634745381,-2.4067330246,0.0296013366,0.0296013366,GGA+U,I4/mmm,AB12C4D2E_tI40_139_a_2efh_g_e_b:Mg-O-Pb-Ti-W,20.0,"Invalid WP multiplicities - AB12C4D2E_tI40_139_a_3e4f4h_g_e_b:Mg-O-Pb-Ti-W, expected MgTi2Pb4WO38 to be MgTi2Pb4WO12" +mp-694933,MgTi3Pb5WO15,-7.7029574908,-2.4626193969,0.0327187245,0.0327187245,GGA+U,P4/nmm,AB15C5D3E_tP50_129_c_5cd2j_b2f_3c_c:Mg-O-Pb-Ti-W,50.0,"Invalid WP multiplicities - AB15C5D3E_tP50_129_c_10c4d15j_2b7f_4c_c:Mg-O-Pb-Ti-W, expected MgTi4Pb16WO78 to be MgTi3Pb5WO15" +mp-1275809,LiFeWClO4,-7.6344176969,-2.0128719704,0.039017815,0.039017815,GGA+U,Pm,ABCD4E_mP16_6_ab_ab_c_2a2b2c_ab:Cl-Fe-Li-O-W,16.0,"Invalid WP multiplicities - ABCD4E_mP16_6_ab_ab_c_2a2b3c_ab:Cl-Fe-Li-O-W, expected LiFeWClO5 to be LiFeWClO4" +mp-1210860,LiFeWClO4,-7.6365102875,-2.014964561,0.0369252244,0.0369252244,GGA+U,P2_1/m,ABCD4E_mP16_11_e_e_a_2ef_e:Cl-Fe-Li-O-W,16.0,ABCD4E_mP16_11_e_e_a_2ef_e:Cl-Fe-Li-O-W +mp-1036758,SrMg30VO32,-6.3777681198,-2.9859581232,0.041293919,0.041293919,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sr-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sr-V, expected SrMg110VO72 to be SrMg30VO32" +mp-1036766,SrMg30VO32,-6.3754295277,-2.983619531,0.0436325112,0.0436325112,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sr-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sr-V, expected SrMg90VO80 to be SrMg30VO32" +mp-1021693,SrMg6V,-2.2897353275,0.2571496504,0.3053845075,0.3053845075,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sr-V,8.0,A6BC_oC16_38_abde_a_b:Mg-Sr-V +mp-1021716,SrMg6V,-2.2960653975,0.2508195804,0.2990544375,0.2990544375,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sr-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sr-V, expected SrMg12V to be SrMg6V" +mp-1031676,SrMg6VO8,-6.5109602281,-2.7641733835,0.1827138874,0.1827138874,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sr-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sr-V, expected SrMg6VO12 to be SrMg6VO8" +mp-1031694,SrMg6VO8,-6.4869023981,-2.7401155535,0.2067717174,0.2067717174,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sr-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sr-V, expected SrMg6VO12 to be SrMg6VO8" +mp-1022532,Mg6ZrV,-3.2399167788,0.1642440962,0.1803447543,0.1803447543,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-V-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-V-Zr, expected Mg12ZrV to be Mg6ZrV" +mp-1022538,Mg6ZrV,-3.2065506888,0.1976101862,0.2137108443,0.2137108443,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-V-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-V-Zr, expected Mg12ZrV to be Mg6ZrV" +mp-2217069,Sr2MgVO4,-6.8836248475,-2.6523838635,0.1938274264,0.1938274264,GGA+U,Cm,AB4C2D_mC16_8_a_2ab_2a_a:Mg-O-Sr-V,8.0,AB4C2D_mC16_8_a_2ab_2a_a:Mg-O-Sr-V +mp-2226139,Sr2MgVO4,-6.5307778338,-2.2995368498,0.5466744402,0.5466744402,GGA+U,I-4m2,AB4C2D_tI16_119_c_ef_e_a:Mg-O-Sr-V,8.0,AB4C2D_tI16_119_c_ef_e_a:Mg-O-Sr-V +mp-2225352,Sr2MgVO4,-6.5653282388,-2.3340872548,0.5121240352,0.5121240352,GGA+U,I4/mmm,AB4C2D_tI16_139_a_ce_e_b:Mg-O-Sr-V,8.0,AB4C2D_tI16_139_a_ce_e_b:Mg-O-Sr-V +mp-1208827,SrMgV2O7,-7.9048321598,-2.8062497396,0.0,-0.0071821792,GGA+U,P2_1/c,AB7CD2_mP88_14_2e_14e_2e_4e:Mg-O-Sr-V,88.0,AB7CD2_mP88_14_2e_14e_2e_4e:Mg-O-Sr-V +mp-2219856,Sr3MgV2O7,-7.04580574,-2.4716985455,0.4216259796,0.4216259796,GGA+U,Immm,AB7C3D2_oI26_71_c_ae2f_be_e:Mg-O-Sr-V,13.0,"Invalid WP multiplicities - AB7C3D2_oI26_71_c_a2e4f_be_e:Mg-O-Sr-V, expected Sr3MgV2O13 to be Sr3MgV2O7" +mp-2218863,Sr3MgV2O7,-7.4003562992,-2.8262491047,0.0670754203,0.0670754203,GGA+U,P4mm,AB7C3D2_tP13_99_a_2ab2c_a2b_ab:Mg-O-Sr-V,13.0,AB7C3D2_tP13_99_a_2ab2c_a2b_ab:Mg-O-Sr-V +mp-2219096,Sr3MgV2O7,-7.1996069123,-2.6254997178,0.2678248072,0.2678248072,GGA+U,I-4m2,AB7C3D2_tI26_119_c_ae2f_be_e:Mg-O-Sr-V,13.0,"Invalid WP multiplicities - AB7C3D2_tI26_119_c_a2e3f_be_e:Mg-O-Sr-V, expected Sr3MgV2O11 to be Sr3MgV2O7" +mp-2232863,Sr4MgV3O10,-7.5213257628,-2.7948335858,0.1159744934,0.1159744934,GGA+U,I4mm,AB10C4D3_tI36_107_a_4a3b_4a_3a:Mg-O-Sr-V,18.0,"Invalid WP multiplicities - AB10C4D3_tI36_107_a_4a4b_4a_3a:Mg-O-Sr-V, expected Sr4MgV3O12 to be Sr4MgV3O10" +mp-2232915,Sr4MgV3O10,-7.4527504283,-2.7262582513,0.1845498278,0.1845498278,GGA+U,I-4m2,AB10C4D3_tI36_119_c_2e3f_2e_ae:Mg-O-Sr-V,18.0,"Invalid WP multiplicities - AB10C4D3_tI36_119_c_3e5f_2e_ae:Mg-O-Sr-V, expected Sr4MgV3O16 to be Sr4MgV3O10" +mp-1034523,SrMg14VO16,-6.4105748256,-2.9004392130000003,0.1000245721,0.1000245721,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sr-V,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sr-V, expected SrMg18VO20 to be SrMg14VO16" +mp-1034472,SrMg14VO16,-6.4158324253,-2.9056968127,0.0947669724,0.0947669724,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sr-V,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sr-V, expected SrMg30VO32 to be SrMg14VO16" +mp-2224177,Sr2MgZrVO6,-7.7060364418,-2.9523086305,0.2226767332,0.2226767332,GGA+U,P1,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Sr-V-Zr,11.0,AB6C2DE_aP11_1_a_6a_2a_a_a:Mg-O-Sr-V-Zr +mp-2223652,Sr2MgZrVO6,-7.5559173336,-2.8021895223,0.3727958414,0.3727958414,GGA+U,Immm,AB6C2DE_oI22_71_c_el_f_a_b:Mg-O-Sr-V-Zr,11.0,"Invalid WP multiplicities - AB6C2DE_oI22_71_c_e2l_f_a_b:Mg-O-Sr-V-Zr, expected Sr2MgZrVO10 to be Sr2MgZrVO6" +mp-2226996,Sr2MgZrVO6,-7.5917248582,-2.8379970469,0.3369883169,0.3369883169,GGA+U,R3m,AB6C2DE_hR33_160_a_2b_2a_a_a:Mg-O-Sr-V-Zr,11.0,"Invalid WP multiplicities - AB6C2DE_hR33_160_a_5b_2a_a_a:Mg-O-Sr-V-Zr, expected Sr2MgZrVO15 to be Sr2MgZrVO6" +mp-1028309,SrMg14V,-1.945235215,0.128347299,0.163064234,0.163064234,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sr-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sr-V, expected SrMg18V to be SrMg14V" +mp-1028294,SrMg14V,-1.942635515,0.130946999,0.165663934,0.165663934,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sr-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sr-V, expected SrMg26V to be SrMg14V" +mp-2242053,SrMgVO3,-6.55976219,-2.0241379055,0.7441609847,0.7441609847,GGA+U,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sr-V,6.0,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sr-V +mp-2227408,SrMgVO3,-6.7798960833,-2.2442717988,0.5240270913,0.5240270913,GGA+U,R3m,AB3CD_hR18_160_a_b_a_a:Mg-O-Sr-V,6.0,AB3CD_hR18_160_a_b_a_a:Mg-O-Sr-V +mp-1027940,Mg14ZrV,-2.4158693081,0.0863511544,0.1051352555,0.1051352555,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-V-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-V-Zr, expected Mg18ZrV to be Mg14ZrV" +mp-1027914,Mg14ZrV,-2.3904166294,0.1118038331,0.1305879342,0.1305879342,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-V-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-V-Zr, expected Mg26ZrV to be Mg14ZrV" +mp-734298,Sr2Mg2V3O14,-7.0210044277,-2.1121993242,0.415536718,0.415536718,GGA+U,P2_1/c,A2B14C2D3_mP84_14_2e_14e_2e_3e:Mg-O-Sr-V,84.0,A2B14C2D3_mP84_14_2e_14e_2e_3e:Mg-O-Sr-V +mp-2242152,Sr3MgV2O8,-7.447050155,-2.846329995,0.1345385057,0.1345385057,GGA+U,Cm,AB8C3D2_mC28_8_a_4a2b_3a_2a:Mg-O-Sr-V,14.0,"Invalid WP multiplicities - AB8C3D2_mC28_8_a_4a3b_3a_2a:Mg-O-Sr-V, expected Sr3MgV2O10 to be Sr3MgV2O8" +mp-2228458,Sr3MgV2O8,-7.5128555436,-2.9121353836,0.0687331171,0.0687331171,GGA+U,C2/m,AB8C3D2_mC28_12_a_2ij_ci_i:Mg-O-Sr-V,,"Invalid WP multiplicities - AB8C3D2_mC28_12_a_3i3j_di_i:Mg-O-Sr-V, expected Sr3MgV2O18 to be Sr3MgV2O8" +mp-2713741,MgTa5(PO4)9,-8.6442062866,-3.0032320833,0.0,-0.0214402424,GGA,P3c1,AB36C9D5_hP102_158_a_12d_3d_a2b2c:Mg-O-P-Ta,102.0,AB36C9D5_hP102_158_a_12d_3d_a2b2c:Mg-O-P-Ta +mp-1043750,MgTaTi(PO4)3,-8.2929839922,-2.9066661171,0.1282969008,0.1282969008,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mg-O-P-Ta-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mg-O-P-Ta-Ti, expected MgTaTi(PO18)3 to be MgTaTi(PO4)3" +mp-1046354,SrMgMn(PO4)2,-7.8007886154,-2.9660268078,0.0187786364,0.0187786364,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Mg-Mn-O-P-Sr,52.0,ABC8D2E_aP26_2_i_i_8i_2i_i:Mg-Mn-O-P-Sr +mp-1370338,SrMgMn(PO4)2,-4.5265448265,0.3082169811,3.2930224252,3.2930224252,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Mg-Mn-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Mg-Mn-O-P-Sr, expected SrMgMn(PO7)2 to be SrMgMn(PO4)2" +mp-1192403,Na5Ho4Si4O16F,-7.584668702,-3.3279342882,0.0,-0.0123202574,GGA,I-4,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Ho-Na-O-Si,30.0,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Ho-Na-O-Si +mp-1195700,Na3HoSi2O7,-7.2150672444,-3.0591101837,0.0,-0.0197654515,GGA,P6_3/m,AB3C7D2_hP78_176_af_bcdi_h3i_i:Ho-Na-O-Si,78.0,AB3C7D2_hP78_176_af_bcdi_h3i_i:Ho-Na-O-Si +mp-16165,Ho3Si3O10F,-8.51426276,-3.7259364788,0.0,-0.0097178275,GGA,P2_1/c,AB3C10D3_mP68_14_e_3e_10e_3e:F-Ho-O-Si,68.0,"Invalid WP multiplicities - AB3C10D3_mP68_14_e_3e_12e_6e:F-Ho-O-Si, expected Ho3Si6O12F to be Ho3Si3O10F" +mp-1220852,NaHo9(Si3O13)2,-8.5455824876,-3.6948677306,0.0,-0.0010896865,GGA,P3,A9BC26D6_hP42_143_a2b2d_a_2c8d_2d:Ho-Na-O-Si,42.0,A9BC26D6_hP42_143_a2b2d_a_2c8d_2d:Ho-Na-O-Si +mp-771130,TiV4CoO12,-8.5398181956,-2.3898349385,0.0874591566,0.0874591566,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Co-O-Ti-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Co-O-Ti-V, expected TiV8CoO24 to be TiV4CoO12" +mp-2231031,MgTiV4CoO12,-8.4023451516,-2.4918199581,0.1070466932,0.1070466932,GGA+U,C2,ABC12DE4_mC38_5_b_a_6c_a_2c:Co-Mg-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_b_a_12c_a_4c:Co-Mg-O-Ti-V, expected MgTiV8CoO24 to be MgTiV4CoO12" +mp-2230218,MgTiV4CoO12,-8.3624612621,-2.4519360686,0.1469305826,0.1469305826,GGA+U,C2,ABC12DE4_mC38_5_b_a_6c_a_2c:Co-Mg-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_b_a_12c_a_4c:Co-Mg-O-Ti-V, expected MgTiV8CoO24 to be MgTiV4CoO12" +mp-2232045,MgTiV4CoO12,-8.3588543858,-2.4483291923,0.1505374589,0.1505374589,GGA+U,C2,ABC12DE4_mC38_5_a_a_6c_b_2c:Co-Mg-O-Ti-V,19.0,"Invalid WP multiplicities - ABC12DE4_mC38_5_a_a_12c_b_4c:Co-Mg-O-Ti-V, expected MgTiV8CoO24 to be MgTiV4CoO12" +mp-1214863,Al3Si3Ag4IO12,-6.8679749637,-2.5342125081,0.0,-0.0080678396,GGA,P-43n,A4B3CD12E3_cP46_218_e_c_a_i_d:Ag-Al-I-O-Si,46.0,A4B3CD12E3_cP46_218_e_c_a_i_d:Ag-Al-I-O-Si +mp-709325,Cu5Si4(HO7)2,-6.7076915983,-1.9782356176,0.1216387034,0.1216387034,GGA,Pbca,A5B2C14D4_oP100_61_a2c_c_7c_2c:Cu-H-O-Si,100.0,A5B2C14D4_oP100_61_a2c_c_7c_2c:Cu-H-O-Si +mp-696360,Ca2Cu2Si3(HO3)4,-6.6553813396,-2.2459580393,0.1783079562,0.1783079562,GGA,P2_1/m,A2B2C4D12E3_mP46_11_f_2e_2f_2e5f_ef:Ca-Cu-H-O-Si,46.0,A2B2C4D12E3_mP46_11_f_2e_2f_2e5f_ef:Ca-Cu-H-O-Si +mp-1182601,Ca2Cu2Si3(HO3)4,-6.7344701663,-2.3250468661,0.0992191294,0.0992191294,GGA,P2_1/m,A2B2C4D12E3_mP46_11_f_2e_2f_2e5f_ef:Ca-Cu-H-O-Si,46.0,A2B2C4D12E3_mP46_11_f_2e_2f_2e5f_ef:Ca-Cu-H-O-Si +mp-703515,CaCuSiH2O5,-6.575199459,-2.2702974364,0.0274036451,0.0274036451,GGA,P2_1/c,ABC2D5E_mP40_14_e_ad_2e_5e_e:Ca-Cu-H-O-Si,40.0,"Invalid WP multiplicities - ABC2D5E_mP40_14_e_ab_7e_19e_e:Ca-Cu-H-O-Si, expected CaCuSiH7O19 to be CaCuSiH2O5" +mp-23731,CuSi(HO2)2,-6.3957117906,-1.8836203363,0.0585197272,0.0585197272,GGA,R-3,AB2C4D_hR144_148_f_2f_4f_f:Cu-H-O-Si,48.0,AB2C4D_hR144_148_f_2f_4f_f:Cu-H-O-Si +mp-1522582,KCePrGeO6,-7.493454637,-2.8806992391,0.1988186205,0.1988186205,GGA,F-43m,ABCD6E_cF40_216_a_b_c_f_d:Ce-Ge-K-O-Pr,10.0,ABCD6E_cF40_216_a_b_c_f_d:Ce-Ge-K-O-Pr +mp-861607,KNaNdTaO5,-7.9812308489,-3.1154205312,0.0,-0.074639481,GGA,P4/nmm,ABCD5E_tP18_129_a_c_b_cj_c:K-Na-Nd-O-Ta,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_c_b_2cj_c:K-Na-Nd-O-Ta, expected KNaNdTaO6 to be KNaNdTaO5" +mp-570514,Cd2Fe(CN)6,-7.6516757827,0.062108433,0.147273743,0.147273743,GGA,P-31m,A6B2CD6_hP15_162_k_c_b_k:C-Cd-Fe-N,15.0,A6B2CD6_hP15_162_k_c_b_k:C-Cd-Fe-N +mp-1246194,Cd3(FeN2)2,-5.7176442678,0.1773214433,0.3171600378,0.3171600378,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Cd-Fe-N,18.0,A3B2C4_mC36_15_ef_f_2f:Cd-Fe-N +mp-1245929,Cd(FeN)2,-6.8976933,0.009491106,0.261200576,0.261200576,GGA,C2/m,AB2C2_mC10_12_a_i_i:Cd-Fe-N,5.0,AB2C2_mC10_12_a_i_i:Cd-Fe-N +mp-1246623,CdFe5N4,-7.5933802745,0.0685172765,0.3204080202,0.3204080202,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Cd-Fe-N,20.0,AB5C4_oP20_59_a_bg_ef:Cd-Fe-N +mp-1188970,Cs2CdFe(CN)6,-7.5374054606,-0.2514880719,0.0,-0.0192953891,GGA,Fm-3m,A6BC2DE6_cF64_225_e_a_c_b_e:C-Cd-Cs-Fe-N,16.0,A6BC2DE6_cF64_225_e_a_c_b_e:C-Cd-Cs-Fe-N +mp-1516970,KPrZrNbO6,-8.592125992,-3.170081728,0.1305624013,0.1305624013,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Zr,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Zr +mp-1517767,KCaCeSbO6,-7.055935514,-2.7701133650000003,0.0970534845,0.0970534845,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Ce-K-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Ce-K-O-Sb +mp-1517051,KSrPrBiO6,-6.417366993,-2.3072250377,0.0870795508,0.0870795508,GGA,Pnnn,ABC6DE_oP40_48_e_ab_3m_f_cd:Bi-K-O-Pr-Sr,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_f_cd:Bi-K-O-Pr-Sr, expected K2SrPrBiO12 to be KSrPrBiO6" +mp-1516832,KSrPrBiO6,-6.380361358,-2.2702194027,0.1240851858,0.1240851858,GGA,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Bi-K-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Bi-K-O-Pr-Sr +mp-1215788,Zn2Hg2Se2O9,-4.707495912,-1.0649046249,0.1669210557,0.1669210557,GGA,Cm,A2B9C2D2_mC30_8_2a_5a2b_2a_b:Hg-O-Se-Zn,,A2B9C2D2_mC30_8_2a_5a2b_2a_b:Hg-O-Se-Zn +mp-759925,Zn2Hg2H2Se2O11,-4.9791658955,-1.2256027998,0.0,-0.0084764057,GGA,Pbcm,A2B2C11D2E2_oP76_57_e_2d_c2d4e_e_e:H-Hg-O-Se-Zn,76.0,"Invalid WP multiplicities - A2B2C11D2E2_oP76_57_e_3d_2c4d7e_e_e:H-Hg-O-Se-Zn, expected Zn2Hg3H2(SeO10)2 to be Zn2Hg2H2Se2O11" +mp-1207647,Zn2Hg2H3(SeO5)2,-4.6405273883,-0.9687518013,0.2889507826,0.2889507826,GGA,Pbcm,A3B2C10D2E2_oP76_57_ce_2d_2d4e_e_e:H-Hg-O-Se-Zn,76.0,A3B2C10D2E2_oP76_57_ce_2d_2d4e_e_e:H-Hg-O-Se-Zn +mp-684786,K2Ba6Yb3Bi5O24,-6.1906146815,-2.2837035042,0.0135191831,0.0135191831,GGA,Cmmm,A6B5C2D24E3_oC80_65_jp_agh_f_ei4oq_bh:Ba-Bi-K-O-Yb,,"Invalid WP multiplicities - A6B5C2D24E3_oC80_65_2j3p_ag2h_f_2e2i6o4q_bh:Ba-Bi-K-O-Yb, expected K2Ba16Yb3Bi7O48 to be K2Ba6Yb3Bi5O24" +mp-1521108,KNdZrSnO6,-7.699267469,-2.8876723558,0.1710772731,0.1710772731,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sn-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sn-Zr +mp-1199258,Ba5LiGaN3F5,-5.6685120663,-2.3952605196,0.0061587939,0.0061587939,GGA,Pnma,A5B5CDE3_oP60_62_5c_a2cd_c_c_3c:Ba-F-Ga-Li-N,60.0,A5B5CDE3_oP60_62_5c_a2cd_c_c_3c:Ba-F-Ga-Li-N +mp-1199250,Ga(NF2)3,-3.7873525448,0.1632929155,1.335070747,1.335070747,GGA,Fm-3m,A6BC3_cF40_225_e_a_bc:F-Ga-N,40.0,A6BC3_cF40_225_e_a_bc:F-Ga-N +mp-1518103,BaSrPrWO6,-8.145431951,-3.0426682864,0.0418028517,0.0418028517,GGA+U,P-1,AB6CDE_aP20_2_i_6i_ah_i_be:Ba-O-Pr-Sr-W,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_ah_i_be:Ba-O-Pr-Sr-W, expected BaSrPrWO12 to be BaSrPrWO6" +mp-1518030,BaSrPrWO6,-8.1348827475,-3.0321190829,0.0523520552,0.0523520552,GGA+U,P222,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-W,40.0,AB6CDE_oP40_16_abch_6u_u_defg_u:Ba-O-Pr-Sr-W +mp-1518245,BaSrPrWO6,-8.031560328,-2.9287966634,0.1556744747,0.1556744747,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Pr-Sr-W +mp-1519128,NaSrDyWO6,-7.938322048,-2.9126152396,0.0335913222,0.0335913222,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Dy-Na-O-Sr-W +mp-562961,Cs4U3Mo3O20,-8.398351518,-2.7674660489000003,0.0,-0.0082948798,GGA+U,P1,A4B3C20D3_aP30_1_4a_3a_20a_3a:Cs-Mo-O-U,30.0,A4B3C20D3_aP30_1_4a_3a_20a_3a:Cs-Mo-O-U +mp-572906,Cs2U2Mo3O16,-8.5525629592,-2.6370153734,0.0025055284,0.0025055284,GGA+U,P4_2/n,A2B3C16D2_tP92_86_ef_abg_8g_g:Cs-Mo-O-U,92.0,"Invalid WP multiplicities - A2B3C16D2_tP92_86_2ef_2a2b3g_57g_g:Cs-Mo-O-U, expected Cs3U2(Mo4O57)2 to be Cs2U2Mo3O16" +mp-1228549,Cs2Na8U8Mo5O44,-8.4569686391,-2.8661501165,0.0027308805,0.0027308805,GGA+U,I222,A2B5C8D44E8_oI134_23_ac_bk_2e2f_11k_2k:Cs-Mo-Na-O-U,67.0,A2B5C8D44E8_oI134_23_ac_bk_2e2f_11k_2k:Cs-Mo-Na-O-U +mp-1194022,CsNa3U4(MoO10)2,-8.6395491633,-2.9510927388,0.0,-0.0014461701,GGA+U,P-1,AB2C3D20E4_aP30_2_a_i_bi_10i_2i:Cs-Mo-Na-O-U,30.0,AB2C3D20E4_aP30_2_a_i_bi_10i_2i:Cs-Mo-Na-O-U +mp-581443,Cs2UMoO7,-8.0622064483,-2.7390531899,0.0,-0.0100693566,GGA+U,Pca2_1,A2BC7D_oP132_29_6a_3a_21a_3a:Cs-Mo-O-U,132.0,"Invalid WP multiplicities - A2BC7D_oP132_29_22a_10a_82a_10a:Cs-Mo-O-U, expected Cs11U5Mo5O41 to be Cs2UMoO7" +mp-14970,BaLaCuBO5,-7.5709003711,-2.8634532553,0.0018921994,0.0018921994,GGA,P4bm,ABCDE5_tP18_100_b_a_b_a_b2c:B-Ba-Cu-La-O,18.0,ABCDE5_tP18_100_b_a_b_a_b2c:B-Ba-Cu-La-O +mp-6446,Ba3La2(BO3)4,-8.1562061348,-3.3130265801,0.014896854,0.014896854,GGA,Pnma,A4B3C2D12_oP84_62_2cd_cd_d_2c5d:B-Ba-La-O,84.0,"Invalid WP multiplicities - A4B3C2D12_oP84_62_2c2d_cd_d_3c9d:B-Ba-La-O, expected Ba3La2(B2O7)3 to be Ba3La2(BO3)4" +mp-1227841,BaLaB12,-6.7044067329,-0.4895722118,0.0,-0.0034738107,GGA,P4/mmm,A12BC_tP14_123_2ht_a_b:B-Ba-La,14.0,"Invalid WP multiplicities - A12BC_tP14_123_4h3t_a_b:B-Ba-La, expected BaLaB32 to be BaLaB12" +mp-1228428,Ba4La4Cu4(BO6)3,-7.4232637033,-2.7900719768,0.0706617127,0.0706617127,GGA,Pmm2,A3B4C4D4E18_oP33_25_abc_i_abcd_i_abcd2e2f2gh:B-Ba-Cu-La-O,33.0,"Invalid WP multiplicities - A3B4C4D4E18_oP33_25_abc_i_abcd_i_abcd2e2f2g4h:B-Ba-Cu-La-O, expected Ba4La4Cu4(BO8)3 to be Ba4La4Cu4(BO6)3" +mp-770477,Li2CuAsCO7,-6.4531595067,-1.7505214,0.0435425873,0.0435425873,GGA,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Cu-Li-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-C-Cu-Li-O, expected Li2CuAsCO13 to be Li2CuAsCO7" +mp-768589,Li3CuAsCO7,-6.3838252227,-1.8960882884,0.0551620973,0.0551620973,GGA,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Cu-Li-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-C-Cu-Li-O, expected Li4CuAsCO13 to be Li3CuAsCO7" +mp-505311,Sr2CrCuSO3,-6.8117243563,-2.2982547253,0.5480237259,0.5480237259,GGA+U,P4/nmm,ABC3DE2_tP16_129_c_a_cf_c_2c:Cr-Cu-O-S-Sr,16.0,ABC3DE2_tP16_129_c_a_cf_c_2c:Cr-Cu-O-S-Sr +mp-1048428,Sr3Cr2Cu2S2O5,-6.8374352193,-2.1531972243,0.6600171496,0.6600171496,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_e_d_ag_e_be:Cr-Cu-O-S-Sr,14.0,A2B2C5D2E3_tI28_139_e_d_ag_e_be:Cr-Cu-O-S-Sr +mp-1516611,PrEuNbVO6,-9.466817531,-3.0764924378,0.1156220219,0.1156220219,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Pr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Eu-Nb-O-Pr-V +mp-1046153,SrMgCu(PO4)2,-7.1977146746,-2.7523996841,0.034975329,0.034975329,GGA,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Cu-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Cu-Mg-O-P-Sr, expected SrMgCu(PO7)2 to be SrMgCu(PO4)2" +mp-1341934,SrMgCu(PO4)2,-3.518003535,0.9273114555,3.7146864687,3.7146864687,GGA,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Cu-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Cu-Mg-O-P-Sr, expected SrMgCu(PO7)2 to be SrMgCu(PO4)2" +mp-2227277,Sr2MgCu(PO4)2,-6.8274239871,-2.5789533921,0.4259952498,0.4259952498,GGA,C2/m,ABC8D2E2_mC28_12_a_b_2ij_i_i:Cu-Mg-O-P-Sr,14.0,"Invalid WP multiplicities - ABC8D2E2_mC28_12_a_b_3ij_i_i:Cu-Mg-O-P-Sr, expected Sr2MgCu(PO5)2 to be Sr2MgCu(PO4)2" +mp-2227424,Sr2MgCu(PO4)2,-6.8926397543,-2.6441691593,0.3607794826,0.3607794826,GGA,C2/m,ABC8D2E2_mC28_12_a_c_2ij_i_i:Cu-Mg-O-P-Sr,14.0,"Invalid WP multiplicities - ABC8D2E2_mC28_12_a_d_3ij_i_i:Cu-Mg-O-P-Sr, expected Sr2MgCu(PO5)2 to be Sr2MgCu(PO4)2" +mp-779404,Li3Cr2(AsO4)3,-6.9933362184,-2.0748120539,0.0152145995,0.0152145995,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-Li-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-Li-O +mp-768612,LiCrAsCO7,-7.3394501668,-1.8779433293,0.0695732407,0.0695732407,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Cr-Li-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Cr-Li-O, expected LiCrAsCO13 to be LiCrAsCO7" +mp-773176,Li2CrAsCO7,-7.2613370217,-2.0958788484,0.0261408556,0.0261408556,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Cr-Li-O,48.0,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Cr-Li-O +mp-2232688,KMgMn2(MoO5)2,-7.912893096899999,-2.1508370398,0.0891336689,0.0891336689,GGA+U,P1,ABC2D2E10_aP16_1_a_a_2a_2a_10a:K-Mg-Mn-Mo-O,16.0,ABC2D2E10_aP16_1_a_a_2a_2a_10a:K-Mg-Mn-Mo-O +mp-2233162,KMgMn2(MoO5)2,-7.9032850475,-2.1412289904,0.0987417183,0.0987417183,GGA+U,P1,ABC2D2E10_aP16_1_a_a_2a_2a_10a:K-Mg-Mn-Mo-O,16.0,ABC2D2E10_aP16_1_a_a_2a_2a_10a:K-Mg-Mn-Mo-O +mp-1046414,SrMgCr(PO4)2,-7.81146579,-2.9389322764,0.0221803786,0.0221803786,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Cr-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Cr-Mg-O-P-Sr, expected SrMgCr(PO7)2 to be SrMgCr(PO4)2" +mp-1372858,SrMgCr(PO4)2,-4.2566744542,0.6158590594000001,3.5769717144,3.5769717144,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Cr-Mg-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Cr-Mg-O-P-Sr, expected SrMgCr(PO7)2 to be SrMgCr(PO4)2" +mp-1325511,ZnNiBiP2O9,-6.7788310275,-2.0483186822,0.1408370895,0.1408370895,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Bi-Ni-O-P-Zn,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Bi-Ni-O-P-Zn +mp-1044421,ZnNiBiO5,-5.6436168769,-1.1918902548,0.1402585633,0.1402585633,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ni-O-Zn,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ni-O-Zn, expected ZnNiBiO15 to be ZnNiBiO5" +mp-1042837,ZnNiBiO5,-5.5490431302,-1.0973165081,0.23483231,0.23483231,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ni-O-Zn,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ni-O-Zn, expected ZnNiBiO31 to be ZnNiBiO5" +mp-1520913,SrHfVSnO6,-8.285372078,-2.8433428104000003,0.1769274729,0.1769274729,GGA+U,F-43m,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-V,10.0,AB6CDE_cF40_216_a_f_c_d_b:Hf-O-Sn-Sr-V +mp-758930,Na5FeHO4,-5.016743723,-1.5383683987,0.0100268957,0.0100268957,GGA+U,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Fe-H-Na-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Fe-H-Na-O, expected Na34Fe5H2O27 to be Na5FeHO4" +mp-1221050,NaFe2Mo2H3O10,-7.3129812222,-1.7797071566,0.0,-0.0023606977,GGA+U,Cm,A2B3C2DE10_mC36_8_b_3a_2a_a_6a2b:Fe-H-Mo-Na-O,18.0,A2B3C2DE10_mC36_8_b_3a_2a_a_6a2b:Fe-H-Mo-Na-O +mp-1228466,Ba6Nd2Al4O15,-7.4155092496,-3.3328137499,0.028164453,0.0262690674,GGA,Cc,A4B6C2D15_mC108_9_4a_6a_2a_15a:Al-Ba-Nd-O,54.0,"Invalid WP multiplicities - A4B6C2D15_mC108_9_7a_9a_4a_30a:Al-Ba-Nd-O, expected Ba9Nd4Al7O30 to be Ba6Nd2Al4O15" +mp-1214526,Ba6Nd2Al4O15,-7.4436737026,-3.3609782028,0.0,-0.0018953855,GGA,P2/c,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Nd-O,54.0,A4B6C2D15_mP54_13_2g_ef2g_g_e7g:Al-Ba-Nd-O +mp-9844,BaAl2B2O7,-8.0359993275,-3.2530217341,0.0,-0.0058837266,GGA,R32,A2B2CD7_hR36_155_c_c_a_bf:Al-B-Ba-O,12.0,"Invalid WP multiplicities - A2B2CD7_hR36_155_c_c_a_b2f:Al-B-Ba-O, expected BaAl2B2O13 to be BaAl2B2O7" +mp-1019529,Ba8Al10B12O41,-7.9779145152,-3.2486962584,0.0,-0.0030093602,GGA,P-1,A10B12C8D41_aP71_2_5i_6i_4i_a20i:Al-B-Ba-O,71.0,A10B12C8D41_aP71_2_5i_6i_4i_a20i:Al-B-Ba-O +mp-1214606,Ba3Nd(BO2)9,-8.2684517269,-3.1174841465,0.0109162674,0.0109162674,GGA,P6_3/m,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Nd-O,62.0,A9B3CD18_hP62_176_hi_af_b_2h2i:B-Ba-Nd-O +mp-1202625,Ba2Nd2Al3(B4O9)3,-8.066900962,-2.8859385992,0.2723236094,0.2723236094,GGA,P-62m,A3B12C2D2E27_hP46_189_f_3h_e_e_a2h3i:Al-B-Ba-Nd-O,46.0,A3B12C2D2E27_hP46_189_f_3h_e_e_a2h3i:Al-B-Ba-Nd-O +mp-6535,NdAl3(BO3)4,-8.3405784793,-3.2364431522,0.0096592455,0.0096592455,GGA,C2/c,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Nd-O,40.0,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Nd-O +mp-7337,NdAl3(BO3)4,-8.339269953,-3.235134626,0.0109677718,0.0109677718,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Nd-O,20.0,"Invalid WP multiplicities - A3B4CD12_hR60_155_e_ad_b_2d2f:Al-B-Nd-O, expected NdAl3(B2O9)2 to be NdAl3(BO3)4" +mp-555284,Ba2NdAlO5,-7.4687191344,-3.3481506124,0.0127932123,0.0127932123,GGA,P2_1,AB2CD5_mP18_4_a_2a_a_5a:Al-Ba-Nd-O,18.0,"Invalid WP multiplicities - AB2CD5_mP18_4_a_4a_a_10a:Al-Ba-Nd-O, expected Ba4NdAlO10 to be Ba2NdAlO5" +mp-1195488,SrFeNi2(PO4)3,-7.6136254045,-2.4915222425,0.0,-0.0193228342,GGA+U,Imma,AB2C12D3E_oI76_74_a_g_hi2j_eg_e:Fe-Ni-O-P-Sr,38.0,AB2C12D3E_oI76_74_a_g_hi2j_eg_e:Fe-Ni-O-P-Sr +mp-766098,LiTi3Sb(PO4)6,-8.0178848331,-2.8486064255,0.0058113251,0.0058113251,GGA,R3,AB24C6DE3_hR105_146_a_8b_2b_a_3a:Li-O-P-Sb-Ti,35.0,"Invalid WP multiplicities - AB24C6DE3_hR105_146_a_20b_2b_a_3a:Li-O-P-Sb-Ti, expected LiTi3Sb(PO10)6 to be LiTi3Sb(PO4)6" +mp-1211002,LiTi3Zn2O8,-7.7204765702,-2.885591154,0.0266858823,0.0266858823,GGA,P4_132,AB8C3D2_cP56_213_a_ce_d_c:Li-O-Ti-Zn,56.0,AB8C3D2_cP56_213_a_ce_d_c:Li-O-Ti-Zn +mp-1232978,LiTi2Zn2(PO5)2,-7.2260233153,-2.4899711832,0.2598718439,0.2598718439,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn +mp-1235255,LiTi2Zn2(PO5)2,-7.2422440182,-2.5061918861,0.243651141,0.243651141,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn +mp-1235302,LiTi2Zn2(PO5)2,-7.2460939888,-2.5100418567,0.2398011704,0.2398011704,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn +mp-1235469,LiTi2Zn2(PO5)2,-7.2393815329,-2.5033294008,0.2465136263,0.2465136263,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn +mp-1235829,LiTi2Zn2(PO5)2,-7.2499779141,-2.5139257820000003,0.2359172451,0.2359172451,GGA,P1,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn,17.0,AB10C2D2E2_aP17_1_a_10a_2a_2a_2a:Li-O-P-Ti-Zn +mp-1235872,LiTi2Zn2(PO5)2,-7.2526954406,-2.5166433085,0.2331997186,0.2331997186,GGA,P-1,AB10C2D2E2_aP17_2_d_5i_i_ab_i:Li-O-P-Ti-Zn,17.0,"Invalid WP multiplicities - AB10C2D2E2_aP17_2_d_9i_i_ab_i:Li-O-P-Ti-Zn, expected LiTi2Zn2(PO9)2 to be LiTi2Zn2(PO5)2" +mp-773081,Li3Ti6Zn3O16,-7.8292964543,-2.9712260646,0.0131079229,0.0131079229,GGA,P2_1,A3B16C6D3_mP56_4_3a_16a_6a_3a:Li-O-Ti-Zn,56.0,"Invalid WP multiplicities - A3B16C6D3_mP56_4_4a_30a_10a_4a:Li-O-Ti-Zn, expected Li2Ti5Zn2O15 to be Li3Ti6Zn3O16" +mp-759849,Li2Ti6Zn3O16,-7.9874372244,-3.0201391488,0.0,-0.0005452754,GGA,P2_1,A2B16C6D3_mP54_4_2a_16a_6a_3a:Li-O-Ti-Zn,54.0,"Invalid WP multiplicities - A2B16C6D3_mP54_4_2a_30a_10a_4a:Li-O-Ti-Zn, expected LiTi5Zn2O15 to be Li2Ti6Zn3O16" +mp-773039,Li2Ti6Zn3O16,-7.9859886113,-3.0186905356,0.0014486131,0.0009033378,GGA,P2_1,A2B16C6D3_mP54_4_2a_16a_6a_3a:Li-O-Ti-Zn,54.0,"Invalid WP multiplicities - A2B16C6D3_mP54_4_3a_30a_10a_4a:Li-O-Ti-Zn, expected Li3Ti10Zn4O30 to be Li2Ti6Zn3O16" +mp-1222642,Li2Ti3ZnO8,-7.9014731571,-3.020217794,0.0361731448,0.0236465481,GGA,R3m,A2B8C3D_hR42_160_2a_2a2b_b_a:Li-O-Ti-Zn,14.0,A2B8C3D_hR42_160_2a_2a2b_b_a:Li-O-Ti-Zn +mp-774797,Li2Ti3ZnO8,-7.937646302,-3.0563909389,0.0,-0.0125265967,GGA,P2_13,A2B8C3D_cP56_198_2a_2a2b_b_a:Li-O-Ti-Zn,56.0,"Invalid WP multiplicities - A2B8C3D_cP56_198_5a_8a13b_b_a:Li-O-Ti-Zn, expected Li5Ti3ZnO47 to be Li2Ti3ZnO8" +mp-1362067,V6Zn(FeO6)4,-7.8419523791,-1.8887011237,0.1172555223,0.1172555223,GGA+U,P-1,A4B24C6D_aP35_2_2i_12i_3i_a:Fe-O-V-Zn,35.0,A4B24C6D_aP35_2_2i_12i_3i_a:Fe-O-V-Zn +mp-1096682,VZnFe2,-4.2025903925,2.6183326325,2.7261654528,2.7261654528,GGA,Immm,A2BC_oI8_71_e_a_b:Fe-V-Zn,4.0,A2BC_oI8_71_e_a_b:Fe-V-Zn +mp-1216668,V3Zn2FeO11,-7.5784221074,-2.1281396095,0.0125476187,0.0125476187,GGA+U,P-1,AB11C3D2_aP34_2_i_11i_3i_2i:Fe-O-V-Zn,34.0,AB11C3D2_aP34_2_i_11i_3i_2i:Fe-O-V-Zn +mp-1208114,V3ZnFe2O11,-7.9762749824,-2.101858508,0.0253436325,0.0253436325,GGA+U,P-1,A2B11C3D_aP34_2_2i_11i_3i_i:Fe-O-V-Zn,34.0,A2B11C3D_aP34_2_2i_11i_3i_i:Fe-O-V-Zn +mp-542803,V6Zn3(FeO6)4,-7.7902506546,-2.0907025151,0.0070791193,0.0070791193,GGA+U,P-1,A4B24C6D3_aP37_2_2i_12i_3i_ai:Fe-O-V-Zn,37.0,A4B24C6D3_aP37_2_2i_12i_3i_ai:Fe-O-V-Zn +mp-1219963,Rh2Au2N10Cl12O,-3.9829504763,0.897436843,1.4691541003,1.4691541003,GGA,C2,A2B12C10DE2_mC54_5_ab_2a5c_5c_b_c:Au-Cl-N-O-Rh,27.0,"Invalid WP multiplicities - A2B12C10DE2_mC54_5_ab_2a5c_7c_b_c:Au-Cl-N-O-Rh, expected Rh2Au2N14Cl12O to be Rh2Au2N10Cl12O" +mp-1182497,Au3N3(Cl6O)2,-3.6427317018,-0.2973842959,0.2558012674,0.2558012674,GGA,C2/c,A3B12C3D2_mC80_15_ef_6f_cf_f:Au-Cl-N-O,40.0,A3B12C3D2_mC80_15_ef_6f_af_f:Au-Cl-N-O +mp-1202926,Au3N3(Cl6O)2,-3.0480004577,0.2973469481,0.8505325114000001,0.8505325114000001,GGA,C2/c,A3B12C3D2_mC80_15_ef_6f_cf_f:Au-Cl-N-O,40.0,A3B12C3D2_mC80_15_ef_6f_cf_f:Au-Cl-N-O +mp-560745,AuN5O14,-6.3980322442,-0.6875323151,0.0,-0.090040071,GGA,P2_1/c,AB5C14_mP40_14_a_d2e_7e:Au-N-O,40.0,"Invalid WP multiplicities - AB5C14_mP40_14_a_b6e_28e:Au-N-O, expected AuN13O56 to be AuN5O14" +mp-1228842,AuN7O9,-5.5670112012,0.6770796739,1.2227404416,1.2227404416,GGA,Amm2,AB7C9_oC34_38_b_ad2e_acdf:Au-N-O,17.0,"Invalid WP multiplicities - AB7C9_oC34_38_b_ad4e_acdf:Au-N-O, expected AuN11O9 to be AuN7O9" +mp-1520142,KLaCeGeO6,-7.567335471,-2.9390699380000003,0.1887812927,0.1887812927,GGA,F-43m,ABCDE6_cF40_216_a_b_c_d_f:Ce-Ge-K-La-O,10.0,ABCDE6_cF40_216_a_b_c_d_f:Ce-Ge-K-La-O +mp-1234572,K4Ho2MgNb10O30,-8.6716346026,-3.0414132129,0.0604298041,0.0604298041,GGA,Pm,A2B4CD10E30_mP47_6_2a_4a_a_10b_10a20b:Ho-K-Mg-Nb-O,47.0,A2B4CD10E30_mP47_6_2a_4a_a_10b_10a20b:Ho-K-Mg-Nb-O +mp-1234755,K4Ho2MgNb10O30,-8.6157589751,-2.9855375854,0.1163054316,0.1163054316,GGA,Amm2,A2B4CD10E30_oC94_38_d_2ad_b_2b4e_2a2b4d9e:Ho-K-Mg-Nb-O,47.0,"Invalid WP multiplicities - A2B4CD10E30_oC94_38_d_2ad_b_2b7e_2a2b7d15e:Ho-K-Mg-Nb-O, expected K4Ho2MgNb16O48 to be K4Ho2MgNb10O30" +mp-1212050,K2HoNb5O15,-8.7816300307,-3.0638012205,0.0539650461,0.0539650461,GGA,P4/mbm,AB2C5D15_tP46_127_a_g_cj_dhi2j:Ho-K-Nb-O,46.0,AB2C5D15_tP46_127_a_g_cj_dhi2j:Ho-K-Nb-O +mp-669384,Cs2NaCo(CN)6,-7.5248517594,-0.2990636133,0.0,-0.0121795362,GGA,P2_1/c,A6BC2D6E_mP32_14_3e_a_e_3e_d:C-Co-Cs-N-Na,32.0,"Invalid WP multiplicities - A6BC2D6E_mP32_14_11e_a_e_9e_b:C-Co-Cs-N-Na, expected Cs2NaCo(C11N9)2 to be Cs2NaCo(CN)6" +mp-1522297,KLaNbCrO6,-8.489688153,-2.9415990701,0.0856368963,0.0856368963,GGA+U,F-43m,ABCDE6_cF40_216_a_c_d_b_f:Cr-K-La-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:Cr-K-La-Nb-O +mp-722266,Na2GeH16Se3O8,-4.9246757673,-1.2042444578,0.0201177852,0.0201177852,GGA,P2_1/c,AB16C2D8E3_mP120_14_e_16e_2e_8e_3e:Ge-H-Na-O-Se,120.0,AB16C2D8E3_mP120_14_e_16e_2e_8e_3e:Ge-H-Na-O-Se +mp-721293,Na4GeH28(Se2O7)2,-4.9173971037,-1.2282452183,0.0209094369,0.0209094369,GGA,C2,AB28C4D14E4_mC102_5_a_14c_2c_7c_2c:Ge-H-Na-O-Se,51.0,AB28C4D14E4_mC102_5_a_14c_2c_7c_2c:Ge-H-Na-O-Se +mp-1517701,BaTbInWO6,-7.9222514148,-2.727922688,0.0864039399,0.0864039399,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-In-O-Tb-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-In-O-Tb-W, expected BaTbIn2WO12 to be BaTbInWO6" +mp-1517949,BaTbInWO6,-7.924165145,-2.7298364183,0.0844902096,0.0844902096,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Tb-W +mp-1214050,Ca4ErB3O10,-7.95536272,-3.3945193447,0.0,-0.0085972317,GGA,Cm,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-Er-O,18.0,A3B4CD10_mC36_8_ab_2b_a_2a4b:B-Ca-Er-O +mp-1019569,Ca10Ge16(B2O17)3,-7.3096484486,-2.6544446006,0.0,-0.013309652,GGA,Pba2,A6B10C16D51_oP166_32_3c_5c_8c_a25c:B-Ca-Ge-O,166.0,A6B10C16D51_oP166_32_3c_5c_8c_a25c:B-Ca-Ge-O +mp-1227808,Ca3Er3Ge2BO13,-7.8649176082,-3.3216286629000003,0.0038423959,-0.0051395023,GGA,C2,AB3C3D2E13_mC44_5_a_ac_ac_2b_a6c:B-Ca-Er-Ge-O,22.0,"Invalid WP multiplicities - AB3C3D2E13_mC44_5_a_a2c_a2c_2b_a12c:B-Ca-Er-Ge-O, expected Ca5Er5Ge2BO25 to be Ca3Er3Ge2BO13" +mp-41109,Ca3Er3Ge2BO13,-7.8687600041,-3.3254710588,0.0,-0.0089818982,GGA,Pnn2,AB3C3D2E13_oP44_34_a_ac_ac_2b_a6c:B-Ca-Er-Ge-O,44.0,"Invalid WP multiplicities - AB3C3D2E13_oP44_34_a_2a3c_2a2c_2b_2a20c:B-Ca-Er-Ge-O, expected Ca8Er6Ge2BO42 to be Ca3Er3Ge2BO13" +mp-1227561,CaEr2(GeO3)4,-7.5227903403,-2.8389264742,0.0003598355,0.0003598355,GGA,Cmme,AB2C4D12_oC76_67_c_ae_o_mn2o:Ca-Er-Ge-O,38.0,"Invalid WP multiplicities - AB2C4D12_oC76_67_c_ae_o_3m2n9o:Ca-Er-Ge-O, expected CaEr2(Ge2O23)2 to be CaEr2(GeO3)4" +mp-1227415,Ca(Er2B15)2,-6.6815348823,-0.3770140753,0.049042433,0.049042433,GGA,P4/mmm,A30BC4_tP35_123_5gl2s_d_2h:B-Ca-Er,35.0,"Invalid WP multiplicities - A30BC4_tP35_123_10g4l14s_d_3h:B-Ca-Er, expected Ca(Er3B74)2 to be Ca(Er2B15)2" +mp-542284,Rb2CoH12(SeO7)2,-5.4655191634,-1.4001138927,0.0,-0.0039630297,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-Rb-Se,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-Rb-Se +mp-1519793,KCaTbFeO6,-6.796498325,-2.2064464845,0.1916526543,0.1916526543,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-K-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Fe-K-O-Tb +mp-1233448,Rb2Nd2Mg(WO4)4,-8.353738388,-2.5906510536000003,0.0737760354,0.0737760354,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Mg-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Mg-Nd-O-Rb-W +mp-1234468,Rb2Nd2Mg(WO4)4,-8.3055682364,-2.542480902,0.121946187,0.121946187,GGA+U,P1,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Mg-Nd-O-Rb-W,25.0,AB2C16D2E4_aP25_1_a_2a_16a_2a_4a:Mg-Nd-O-Rb-W +mp-1233419,Rb2Nd2Mg(WO4)4,-8.3292624664,-2.566175132,0.098251957,0.098251957,GGA+U,C2,AB2C16D2E4_mC50_5_a_ab_8c_ab_2c:Mg-Nd-O-Rb-W,25.0,"Invalid WP multiplicities - AB2C16D2E4_mC50_5_a_ab_13c_ab_3c:Mg-Nd-O-Rb-W, expected Rb2Nd2Mg(W3O13)2 to be Rb2Nd2Mg(WO4)4" +mp-2216003,Rb2Nd2Mg(WO4)4,-8.3234263704,-2.560339036,0.104088053,0.104088053,GGA+U,C2,AB2C16D2E4_mC50_5_a_ab_8c_ab_2c:Mg-Nd-O-Rb-W,25.0,"Invalid WP multiplicities - AB2C16D2E4_mC50_5_a_ab_13c_ab_3c:Mg-Nd-O-Rb-W, expected Rb2Nd2Mg(W3O13)2 to be Rb2Nd2Mg(WO4)4" +mp-1046437,SrCaNi(PO4)2,-7.5162024204,-2.9104066729,0.0237215954,0.0237215954,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Ni-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Ni-O-P-Sr, expected SrCaNi(PO7)2 to be SrCaNi(PO4)2" +mp-1367479,SrCaNi(PO4)2,-4.0831891681,0.5226065794,3.4567348477,3.4567348477,GGA+U,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:Ca-Ni-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_14i_2i_i:Ca-Ni-O-P-Sr, expected SrCaNi(PO7)2 to be SrCaNi(PO4)2" +mp-726266,CuPb4(SO7)2,-5.9622475724,-1.3681363037,0.1695312602,0.1695312602,GGA,P-1,AB14C4D2_aP21_2_a_7i_2i_i:Cu-O-Pb-S,21.0,AB14C4D2_aP21_2_a_7i_2i_i:Cu-O-Pb-S +mp-1181649,CuPbSO6,-5.8086010956,-1.1832193317,0.2930461371,0.2930461371,GGA,P2_1/m,AB6CD_mP18_11_a_4ef_e_e:Cu-O-Pb-S,18.0,AB6CD_mP18_11_a_4ef_e_e:Cu-O-Pb-S +mp-1188206,CuPbSO6,-6.0322145244,-1.4068327606,0.0694327082,0.0694327082,GGA,P2_1/m,AB6CD_mP18_11_a_4ef_e_e:Cu-O-Pb-S,18.0,AB6CD_mP18_11_a_4ef_e_e:Cu-O-Pb-S +mp-1213421,CuAsPb2SO9,-6.2651876857,-1.6337400083,0.0028047161,0.0028047161,GGA,P2_1/m,ABC9D2E_mP28_11_e_a_5e2f_2e_e:As-Cu-O-Pb-S,28.0,ABC9D2E_mP28_11_e_a_5e2f_2e_e:As-Cu-O-Pb-S +mp-559509,HgSb3XeF17,-4.450969216,-2.3954237295,0.0,-0.055597902,GGA,P2_1/c,A17BC3D_mP88_14_17e_e_3e_e:F-Hg-Sb-Xe,88.0,"Invalid WP multiplicities - A17BC3D_mP88_14_64e_e_11e_e:F-Hg-Sb-Xe, expected HgSb11XeF64 to be HgSb3XeF17" +mp-1195797,Hg2Sb7H2Xe3F59,-4.034688984,-1.99110538,0.0,-0.023741026,GGA,P-1,A59B2C2D7E3_aP146_2_59i_2i_2i_7i_3i:F-H-Hg-Sb-Xe,146.0,A59B2C2D7E3_aP146_2_59i_2i_2i_7i_3i:F-H-Hg-Sb-Xe +mp-1197260,HXe2F15,-2.5609322439,-0.7755289718,0.0350165574,0.0350165574,GGA,Pna2_1,A15BC2_oP72_33_15a_a_2a:F-H-Xe,72.0,A15BC2_oP72_33_15a_a_2a:F-H-Xe +mp-1195399,HgSb2Xe5F22,-3.3399928634,-1.6468231641000002,0.0,-0.0192668148,GGA,P2_1/c,A22BC2D5_mP120_14_22e_e_2e_5e:F-Hg-Sb-Xe,120.0,A22BC2D5_mP120_14_22e_e_2e_5e:F-Hg-Sb-Xe +mp-781108,Na4Mn2As(CO4)4,-7.1940615244,-1.8483233203,0.0939277246,0.0939277246,GGA+U,Fddd,AB4C2D4E16_oF216_70_a_h_d_ef_4h:As-C-Mn-Na-O,54.0,"Invalid WP multiplicities - AB4C2D4E16_oF216_70_a_h_d_2e3f_21h:As-C-Mn-Na-O, expected Na10Mn2As(CO21)4 to be Na4Mn2As(CO4)4" +mp-1176350,Na5Mn2As(CO4)4,-7.1229544191,-1.9209023903,0.0682807717,0.0682807717,GGA+U,F222,AB4C2D5E16_oF224_22_ac_2k_k_efghi_8k:As-C-Mn-Na-O,56.0,"Invalid WP multiplicities - AB4C2D5E16_oF224_22_ac_2k_k_e2f2g2h2i_18k:As-C-Mn-Na-O, expected Na9Mn2As(CO9)4 to be Na5Mn2As(CO4)4" +mp-776638,Na5Mn2As(CO4)4,-7.1238694821,-1.9218174533,0.0673657087,0.0673657087,GGA+U,Fdd2,AB4C2D5E16_oF224_43_a_2b_b_a2b_8b:As-C-Mn-Na-O,56.0,"Invalid WP multiplicities - AB4C2D5E16_oF224_43_a_4b_b_2a5b_20b:As-C-Mn-Na-O, expected Na12Mn2As(CO5)8 to be Na5Mn2As(CO4)4" +mp-771035,Na3MnAsCO7,-6.8081084856,-2.0662472511,0.0,-0.016247849,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Mn-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Mn-Na-O +mp-770900,NaMnAsCO7,-7.1888531286,-1.8252944503,0.0123002877,0.0123002877,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Mn-Na-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Mn-Na-O, expected NaMnAsCO13 to be NaMnAsCO7" +mp-850884,Na6Mn2As(CO4)4,-7.0604372528,-1.9921620079,0.0395235149,0.0395235149,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-C-Mn-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-C-Mn-Na-O, expected Na6Mn2As(CO27)4 to be Na6Mn2As(CO4)4" +mp-773119,Na2MnAsCO7,-7.0207721175,-1.9939662212,0.0,-0.0313146602,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Mn-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-C-Mn-Na-O, expected Na2MnAsCO13 to be Na2MnAsCO7" +mp-758112,Co2Ni3Sb(PO4)6,-7.253543665,-2.0622550267,0.096383687,0.096383687,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Ni-O-P-Sb, expected Co2Ni3Sb(PO10)6 to be Co2Ni3Sb(PO4)6" +mp-695979,AlH18(BrO6)3,-4.7858638545000005,-0.8230106937,0.3070676953,0.3070676953,GGA,P-1,AB3C18D18_aP80_2_i_3i_18i_18i:Al-Br-H-O,80.0,AB3C18D18_aP80_2_i_3i_18i_18i:Al-Br-H-O +mp-695316,Ca2AlH10BrO8,-5.6847893886000005,-1.9206723859,0.0,-0.0048570861,GGA,P-1,ABC2D10E8_aP44_2_i_bd_2i_10i_8i:Al-Br-Ca-H-O,44.0,"Invalid WP multiplicities - ABC2D10E8_aP44_2_i_bd_4i_20i_16i:Al-Br-Ca-H-O, expected Ca4AlH20BrO16 to be Ca2AlH10BrO8" +mp-1227507,Ca2AlH10BrO8,-5.6835324173,-1.9194154145,0.0012569714,-0.0036001147,GGA,P-1,ABC2D10E8_aP22_2_b_c_i_5i_4i:Al-Br-Ca-H-O,22.0,"Invalid WP multiplicities - ABC2D10E8_aP22_2_b_c_i_10i_7i:Al-Br-Ca-H-O, expected Ca2AlH20BrO14 to be Ca2AlH10BrO8" +mp-1192001,AlH6BrO4,-5.4501484775,-1.6633388712,0.0,-0.023678821,GGA,C2/c,ABC6D4_mC48_15_e_e_3f_2f:Al-Br-H-O,24.0,ABC6D4_mC48_15_e_e_3f_2f:Al-Br-H-O +mp-1198782,Ca2Al3H3O8,-6.9372323642,-2.874756422,0.0,-0.0192620143,GGA,Cmce,A3B2C3D8_oC128_64_eg_df_fg_2f3g:Al-Ca-H-O,64.0,A3B2C3D8_oC128_64_eg_df_fg_2f3g:Al-Ca-H-O +mp-23882,Ca3Al2(HO)12,-6.007040883,-2.0904571459,0.0314802202,0.0314802202,GGA,Ia-3d,A2B3C12D12_cI232_230_a_c_h_h:Al-Ca-H-O,116.0,A2B3C12D12_cI232_230_a_c_h_h:Al-Ca-H-O +mp-792972,Mn3Cu2Sn(PO4)6,-7.5299815614,-2.2273600286,0.0711997847,0.0711997847,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Mn-O-P-Sn, expected Mn3Cu2Sn(PO11)6 to be Mn3Cu2Sn(PO4)6" +mp-1076581,La7SmTi3V5O24,-8.9970015707,-3.3195722872,0.1292115954,0.1292115954,GGA+U,Cm,A7B24CD3E5_mC80_8_3a2b_4a10b_a_ab_3ab:La-O-Sm-Ti-V,40.0,"Invalid WP multiplicities - A7B24CD3E5_mC80_8_3a4b_4a20b_a_ab_3a2b:La-O-Sm-Ti-V, expected La11SmTi3V7O44 to be La7SmTi3V5O24" +mp-1076885,La7SmTi3V5O20,-8.8417835953,-3.0831609149,0.2720825882,0.2720825882,GGA+U,P1,A7B20CD3E5_aP144_1_28a_80a_4a_12a_20a:La-O-Sm-Ti-V,144.0,A7B20CD3E5_aP144_1_28a_80a_4a_12a_20a:La-O-Sm-Ti-V +mp-1099746,La7SmTi2V6O24,-8.967722555,-3.2605829202,0.1309218756,0.1309218756,GGA+U,Amm2,A7B24CD2E6_oC80_38_a2bde_2a2bde4f_a_c_cf:La-O-Sm-Ti-V,40.0,"Invalid WP multiplicities - A7B24CD2E6_oC80_38_a2bde_2a2bde16f_a_c_2c2f:La-O-Sm-Ti-V, expected La7SmTi2V12O72 to be La7SmTi2V6O24" +mp-1075987,La7SmTiV7O24,-8.937701618,-3.2008516318,0.1332831323,0.1332831323,GGA+U,R3m,A7B24CDE7_hR120_160_a2b_4b2c_a_a_a2b:La-O-Sm-Ti-V,40.0,"Invalid WP multiplicities - A7B24CDE7_hR120_160_a4b_12b10c_a_a_a4b:La-O-Sm-Ti-V, expected La13SmTiV13O96 to be La7SmTiV7O24" +mp-778499,BaSr7V8(Si2O7)8,-8.2494883962,-3.1331664192,0.0042693329,0.0042693329,GGA+U,Pm,AB56C16D7E8_mP88_6_a_4a4b24c_8c_a2b2c_2a2b2c:Ba-O-Si-Sr-V,88.0,"Invalid WP multiplicities - AB56C16D7E8_mP88_6_a_4a4b36c_11c_a2b2c_2a2b2c:Ba-O-Si-Sr-V, expected BaSr7V8(Si11O40)2 to be BaSr7V8(Si2O7)8" +mp-1044976,BaAlCuWO5,-7.2195234711,-1.9467088904,0.6556418059,0.6556418059,GGA+U,Pmm2,ABCD5E_oP9_25_d_d_a_a2b2c_a:Al-Ba-Cu-O-W,9.0,ABCD5E_oP9_25_d_d_a_a2b2c_a:Al-Ba-Cu-O-W +mp-1042519,BaAlCuWO5,-7.1761658422,-1.9033512615,0.6989994348,0.6989994348,GGA+U,P4mm,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-W,9.0,ABCD5E_tP9_99_b_b_a_a2c_a:Al-Ba-Cu-O-W +mp-754292,Li3CrBAsO7,-7.0403873671,-2.3215298883,0.084067866,0.084067866,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Cr-Li-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Cr-Li-O +mp-2228762,K3NaMgCr2O8,-6.3874115027,-2.0451710484,0.1510187818,0.1510187818,GGA+U,C2,A2B3CDE8_mC30_5_c_ac_a_b_4c:Cr-K-Mg-Na-O,15.0,"Invalid WP multiplicities - A2B3CDE8_mC30_5_c_ac_a_b_7c:Cr-K-Mg-Na-O, expected K3NaMgCr2O14 to be K3NaMgCr2O8" +mp-2228684,K3NaMgCr2O8,-6.3669034307,-2.0246629764,0.1715268538,0.1715268538,GGA+U,C2/m,A2B3CDE8_mC30_12_i_ci_b_a_2ij:Cr-K-Mg-Na-O,15.0,"Invalid WP multiplicities - A2B3CDE8_mC30_12_i_ci_a_b_3i2j:Cr-K-Mg-Na-O, expected K3NaMgCr2O14 to be K3NaMgCr2O8" +mp-1180870,K3NaCr2O8,-6.5906142604,-2.0525194915,0.0021528214,-0.0061151425,GGA+U,C2/c,A2B3CD8_mC56_15_f_ef_a_4f:Cr-K-Na-O,28.0,A2B3CD8_mC56_15_f_ef_c_4f:Cr-K-Na-O +mp-18964,K3NaCr2O8,-6.5927670818,-2.0546723129,0.0,-0.0082679639,GGA+U,C2/c,A2B3CD8_mC56_15_f_ef_a_4f:Cr-K-Na-O,28.0,A2B3CD8_mC56_15_f_ef_c_4f:Cr-K-Na-O +mp-19230,K3NaCr2O8,-6.590479955,-2.0523851861,0.0022871268,-0.0059808371,GGA+U,P-3m1,A2B3CD8_hP14_164_d_ad_b_di:Cr-K-Na-O,14.0,A2B3CD8_hP14_164_d_ad_b_di:Cr-K-Na-O +mp-1034266,Mg14TiSnO16,-6.3373174378,-2.7918173143,0.2167417552,0.2167417552,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sn-Ti,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sn-Ti, expected Mg18TiSnO20 to be Mg14TiSnO16" +mp-1034278,Mg14TiSnO16,-6.3410978759,-2.7955977524,0.2129613171,0.2129613171,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sn-Ti,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sn-Ti, expected Mg30TiSnO32 to be Mg14TiSnO16" +mp-2218089,MgTi2(SnO3)2,-7.5664171491,-2.5581862345,0.2306848336,0.2306848336,GGA,P1,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Sn-Ti,11.0,AB6C2D2_aP11_1_a_6a_2a_2a:Mg-O-Sn-Ti +mp-2224760,MgTi2(SnO3)2,-7.4719460282,-2.4637151136,0.3251559545,0.3251559545,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Sn-Ti,11.0,"Invalid WP multiplicities - AB6C2D2_hR33_146_a_4b_2a_2a:Mg-O-Sn-Ti, expected MgTi2(SnO6)2 to be MgTi2(SnO3)2" +mp-2218042,MgTi2(SnO3)2,-7.4538378436,-2.445606929,0.3432641391,0.3432641391,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sn-Ti,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sn-Ti +mp-2217895,MgTi2(SnO3)2,-7.6421037464,-2.6338728317,0.1549982364,0.1549982364,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sn-Ti,11.0,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Sn-Ti +mp-2230911,MgTi3(SnO4)3,-7.7789766853,-2.6907800432,0.1431020676,0.1431020676,GGA,P1,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti,19.0,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti +mp-2228348,MgTi3(SnO4)3,-7.764456842099999,-2.6762602,0.1576219108,0.1576219108,GGA,P1,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti,19.0,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti +mp-2228405,MgTi3(SnO4)3,-7.7727523821,-2.68455574,0.1493263708,0.1493263708,GGA,P1,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti,19.0,AB12C3D3_aP19_1_a_12a_3a_3a:Mg-O-Sn-Ti +mp-1031456,Mg6TiSnO8,-6.3572537262,-2.5397378599,0.4233399798,0.4233399798,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sn-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sn-Ti, expected Mg6TiSnO12 to be Mg6TiSnO8" +mp-1031502,Mg6TiSnO8,-6.3779320937,-2.5604162274,0.4026616123,0.4026616123,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sn-Ti,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sn-Ti, expected Mg6TiSnO12 to be Mg6TiSnO8" +mp-1028291,Mg14TiSn,-2.1428900244,0.0014215114,0.0732255439,0.0732255439,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-Ti,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-Ti, expected Mg18TiSn to be Mg14TiSn" +mp-1028272,Mg14TiSn,-2.129572465,0.0147390707,0.0865431033,0.0865431033,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-Ti,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-Ti, expected Mg26TiSn to be Mg14TiSn" +mp-2240245,MgTiSnO4,-7.4806842057,-2.7246700962,0.1480966429,0.1480966429,GGA,P1,AB4CD_aP7_1_a_4a_a_a:Mg-O-Sn-Ti,7.0,AB4CD_aP7_1_a_4a_a_a:Mg-O-Sn-Ti +mp-2226122,MgTiSnO4,-7.3914412257,-2.6354271162,0.2373396229,0.2373396229,GGA,Imm2,AB4CD_oI14_44_a_2a2b_a_b:Mg-O-Sn-Ti,7.0,AB4CD_oI14_44_a_2a2b_a_b:Mg-O-Sn-Ti +mp-1021677,Mg6TiSn,-2.6718161325,0.016526889,0.1328798041,0.1328798041,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-Ti, expected Mg12TiSn to be Mg6TiSn" +mp-1021702,Mg6TiSn,-2.6773448794,0.0109981421,0.1273510572,0.1273510572,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-Ti,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-Ti, expected Mg12TiSn to be Mg6TiSn" +mp-1036724,Mg30TiSnO32,-6.3339423931,-2.9244501411,0.1068495434,0.1068495434,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sn-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sn-Ti, expected Mg90TiSnO80 to be Mg30TiSnO32" +mp-1036721,Mg30TiSnO32,-6.3353241158,-2.9258318637,0.1054678207,0.1054678207,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sn-Ti,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sn-Ti, expected Mg110TiSnO72 to be Mg30TiSnO32" +mp-2228080,MgTiSnO3,-6.58799412,-1.8637591108,0.9443559017,0.9443559017,GGA,P4/mmm,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sn-Ti,6.0,AB3CD_tP6_123_b_ce_a_d:Mg-O-Sn-Ti +mp-1043727,MgTiSn(PO4)3,-7.7171366464,-2.7668302032,0.0724895534,0.0724895534,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mg-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mg-O-P-Sn-Ti, expected MgTiSn(PO18)3 to be MgTiSn(PO4)3" +mp-757741,Ti3CrCo2(PO4)6,-8.268247197200001,-2.7472332189,0.0189604157,0.0189604157,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Cr-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Co-Cr-O-P-Ti, expected Ti3CrCo2(PO10)6 to be Ti3CrCo2(PO4)6" +mp-775780,Ti3Cr2Co(PO4)6,-8.3143425286,-2.7226416149,0.0821572486,0.0821572486,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Cr-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_3b_3a:Co-Cr-O-P-Ti, expected Ti3Cr2Co(P3O22)3 to be Ti3Cr2Co(PO4)6" +mp-695367,La13Al12Si18(N13O5)3,-8.2929552645,-2.0445598047,0.0463901689,0.0463901689,GGA,R3m,A12B13C39D15E18_hR291_160_2bc_a2bc_7b3c_b2c_4bc:Al-La-N-O-Si,97.0,"Invalid WP multiplicities - A12B13C39D15E18_hR291_160_5b3c_a5b3c_19b9c_2b6c_10b2c:Al-La-N-O-Si, expected La34Al33Si42(N37O14)3 to be La13Al12Si18(N13O5)3" +mp-1265516,La13Al12Si18(N13O5)3,-8.3046745894,-2.0562791295,0.034670844,0.034670844,GGA,R3m,A12B13C39D15E18_hR291_160_2bc_a2bc_7b3c_b2c_4bc:Al-La-N-O-Si,97.0,"Invalid WP multiplicities - A12B13C39D15E18_hR291_160_5b3c_a5b3c_19b9c_2b6c_10b2c:Al-La-N-O-Si, expected La34Al33Si42(N37O14)3 to be La13Al12Si18(N13O5)3" +mp-866690,La17Al4(Si3N11)3,-8.2722674287,-1.5607337954,0.0,-0.0052770253,GGA,F-43m,A4B17C33D9_cF252_216_e_aefg_b2e2h_c2e:Al-La-N-Si,63.0,A4B17C33D9_cF252_216_e_aefg_b2e2h_c2e:Al-La-N-Si +mp-4505,La3AlN,-6.212449378,-0.834430964,0.0,-0.0693202065,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-La-N,5.0,AB3C_cP5_221_a_c_b:Al-La-N +mp-1212074,La13Al12Si18(N2O)18,-8.1474787175,-2.0039226251,0.1820992991,0.1820992991,GGA,I-43m,A12B13C36D18E18_cI194_217_g_ag_3g_dg_eg:Al-La-N-O-Si,97.0,A12B13C36D18E18_cI194_217_g_ag_3g_dg_eg:Al-La-N-O-Si +mp-1181876,LaAl(NO4)6,-6.2235986988,-0.6791899002,0.4117322643,0.4117322643,GGA,P2_13,ABC6D24_cP128_198_a_a_2b_8b:Al-La-N-O,128.0,ABC6D24_cP128_198_a_a_2b_8b:Al-La-N-O +mp-677482,LaAl2Si5N9O,-8.1235161171,-1.4830221198,0.1506558877,0.1506558877,GGA,Pc,A2BC9DE5_mP72_7_4a_2a_18a_2a_10a:Al-La-N-O-Si,72.0,A2BC9DE5_mP72_7_4a_2a_18a_2a_10a:Al-La-N-O-Si +mp-730638,Na2FeSn(PO4)3,-4.2544945301,0.5204957702,3.0139866672,3.0139866672,GGA+U,P1,AB2C12D3E_aP76_1_4a_8a_48a_12a_4a:Fe-Na-O-P-Sn,76.0,AB2C12D3E_aP76_1_4a_8a_48a_12a_4a:Fe-Na-O-P-Sn +mp-1221475,Na2FeSn(PO4)3,-7.2647742439,-2.4897839436,0.0037069534,0.0037069534,GGA+U,C2,AB2C12D3E_mC76_5_c_2c_12c_ab2c_c:Fe-Na-O-P-Sn,38.0,"Invalid WP multiplicities - AB2C12D3E_mC76_5_c_2c_22c_ab2c_c:Fe-Na-O-P-Sn, expected Na2FeSnP3O22 to be Na2FeSn(PO4)3" +mp-6226,NaSn4(PO4)3,-6.9973680085000005,-2.3493187701,0.0,-0.0170036719,GGA,R3c,AB12C3D4_hR120_161_a_4b_b_ab:Na-O-P-Sn,40.0,"Invalid WP multiplicities - AB12C3D4_hR120_161_a_8b_b_ab:Na-O-P-Sn, expected NaSn4(PO8)3 to be NaSn4(PO4)3" +mp-759838,NaSn2(PO4)3,-7.2202027617,-2.5012115918,0.0302478292,-0.0105505723,GGA,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Na-O-P-Sn,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Na-O-P-Sn, expected NaSn3P5O23 to be NaSn2(PO4)3" +mp-6525,NaSn2(PO4)3,-7.2504505908,-2.5314594209,0.0,-0.0407984015,GGA,R-3,AB12C3D2_hR108_148_ab_4f_f_2c:Na-O-P-Sn,36.0,AB12C3D2_hR108_148_ab_4f_f_2c:Na-O-P-Sn +mp-22163,NaSn2(PO4)3,-7.2497310544,-2.5307398845,0.0007195364,-0.0400788651,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Sn,36.0,AB12C3D2_hR108_167_b_2f_e_c:Na-O-P-Sn +mp-757758,LiTi3Nb(PO4)6,-8.3211721706,-2.9812565115,0.0120877366,0.0120877366,GGA,R3,ABC24D6E3_hR105_146_a_a_8b_2b_3a:Li-Nb-O-P-Ti,35.0,"Invalid WP multiplicities - ABC24D6E3_hR105_146_a_a_20b_2b_3a:Li-Nb-O-P-Ti, expected LiTi3Nb(PO10)6 to be LiTi3Nb(PO4)6" +mp-1101433,TiCrSO8,-7.721558237,-2.1526037785,0.0321920795,0.0321920795,GGA+U,P1,AB8CD_aP33_1_3a_24a_3a_3a:Cr-O-S-Ti,33.0,AB8CD_aP33_1_3a_24a_3a_3a:Cr-O-S-Ti +mp-770212,Li6Ti2S6O,-5.4939428468,-1.6932822371,0.0507071066,0.0507071066,GGA,P2_1/c,A6BC6D2_mP60_14_6e_e_6e_2e:Li-O-S-Ti,60.0,"Invalid WP multiplicities - A6BC6D2_mP60_14_21e_e_21e_3e:Li-O-S-Ti, expected Li21Ti3S21O to be Li6Ti2S6O" +mp-1176809,LiTi(SO4)2,-7.0650361899,-2.260800831,0.0880638026,0.0880638026,GGA,Pc,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Ti,96.0,AB8C2D_mP96_7_4a_32a_8a_4a:Li-O-S-Ti +mp-769287,Li2TiS2O,-6.1664115121,-2.0109238129,0.0276130736,0.0276130736,GGA,P2_1/c,A2BC2D_mP24_14_2e_e_2e_e:Li-O-S-Ti,24.0,"Invalid WP multiplicities - A2BC2D_mP24_14_7e_e_7e_e:Li-O-S-Ti, expected Li7TiS7O to be Li2TiS2O" +mp-1077164,LiTi(SO)2,-5.9068021383,-1.2450201317,0.949129916,0.949129916,GGA,C2/m,AB2C2D_mC12_12_a_i_i_c:Li-O-S-Ti,6.0,AB2C2D_mC12_12_a_i_i_d:Li-O-S-Ti +mp-1180514,LiTi(SO)2,-5.9058233783,-1.2440413717,0.950108676,0.950108676,GGA,C2/m,AB2C2D_mC12_12_a_i_i_c:Li-O-S-Ti,6.0,AB2C2D_mC12_12_a_i_i_d:Li-O-S-Ti +mp-1210859,LiTiS2O,-5.934995238,-1.3301945723,0.7131249144,0.7131249144,GGA,R3m,ABC2D_hR15_160_a_a_2a_a:Li-O-S-Ti,5.0,ABC2D_hR15_160_a_a_2a_a:Li-O-S-Ti +mp-766410,LiTiCrSO8,-7.5562447169,-2.2922928911,0.080944373,0.080944373,GGA+U,P1,ABC8DE_aP36_1_3a_3a_24a_3a_3a:Cr-Li-O-S-Ti,36.0,ABC8DE_aP36_1_3a_3a_24a_3a_3a:Cr-Li-O-S-Ti +mp-766883,Li4Ti4Mn4VO18,-8.2733134868,-2.6607320812,0.0871892334,0.0871892334,GGA+U,Pbam,A4B4C18D4E_oP62_55_2g_gh_4g5h_gh_a:Li-Mn-O-Ti-V,62.0,"Invalid WP multiplicities - A4B4C18D4E_oP62_55_5g_3g2h_12g20h_3g2h_a:Li-Mn-O-Ti-V, expected Li10Ti10Mn10VO64 to be Li4Ti4Mn4VO18" +mp-770420,Li4Ti3Mn3V2O16,-8.227810085,-2.6519870524,0.0871894282,0.0871894282,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-Ti-V,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-Ti-V, expected Li4Ti3Mn3V2O20 to be Li4Ti3Mn3V2O16" +mp-770623,Li4Ti2Mn3V3O16,-8.1775816811,-2.5593152894,0.0704070564,0.0704070564,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Ti-V,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Mn-O-Ti-V +mp-885334,Li4Ti2Mn3V3O16,-8.1621347432,-2.5438683516,0.0858539943,0.0858539943,GGA+U,Cm,A4B3C16D2E3_mC56_8_4a_ab_8a4b_2a_ab:Li-Mn-O-Ti-V,28.0,"Invalid WP multiplicities - A4B3C16D2E3_mC56_8_4a_ab_8a6b_2a_ab:Li-Mn-O-Ti-V, expected Li4Ti2Mn3V3O20 to be Li4Ti2Mn3V3O16" +mp-773707,Li4Ti3Mn2V3O16,-8.3116558407,-2.7386224232,0.0370119391,0.0370119391,GGA+U,P1,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Mn-O-Ti-V,28.0,A4B2C16D3E3_aP28_1_4a_2a_16a_3a_3a:Li-Mn-O-Ti-V +mp-772543,Li4Ti3Mn2V3O16,-8.2774564825,-2.7044230650000003,0.0712112973,0.0712112973,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Mn-O-Ti-V,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Mn-O-Ti-V, expected Li4Ti3Mn2V3O20 to be Li4Ti3Mn2V3O16" +mp-1519658,KCaHfSbO6,-7.562842878,-2.8746107415,0.0632823305,0.0632823305,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-K-O-Sb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Hf-K-O-Sb +mp-1211692,KCaEr2CuS5,-5.7227606775,-2.0194714324,0.0,-0.0369455505,GGA,Cmcm,ABC2DE5_oC40_63_a_c_f_c_c2f:Ca-Cu-Er-K-S,20.0,ABC2DE5_oC40_63_a_c_f_c_c2f:Ca-Cu-Er-K-S +mp-1518216,KCaCeBiO6,-6.8643435828,-2.6073726448,0.026477674,0.026477674,GGA,Pnnn,ABCDE6_oP40_48_e_ab_f_cd_3m:Bi-Ca-Ce-K-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_e_ab_f_2c2d_6m:Bi-Ca-Ce-K-O, expected K2CaCeBiO12 to be KCaCeBiO6" +mp-1518152,KCaCeBiO6,-6.759489927,-2.5025189891,0.1313313298,0.1313313298,GGA,F-43m,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Ce-K-O,10.0,ABCDE6_cF40_216_a_c_b_d_f:Bi-Ca-Ce-K-O +mp-757073,Ba4LiY2Cu5O14,-6.5809097877,-2.26293132,0.024140333,0.024140333,GGA,Cm,A4B5CD14E2_mC52_8_2b_5a_a_8a3b_b:Ba-Cu-Li-O-Y,26.0,"Invalid WP multiplicities - A4B5CD14E2_mC52_8_4b_5a_a_8a6b_b:Ba-Cu-Li-O-Y, expected Ba8LiY2(CuO4)5 to be Ba4LiY2Cu5O14" +mp-1236494,BaLiYCu2O5,-6.450783745,-2.1281611634,0.1819762258,0.1819762258,GGA,Pmm2,AB2CD5E_oP10_25_b_2c_a_2ac2d_b:Ba-Cu-Li-O-Y,10.0,AB2CD5E_oP10_25_b_2c_a_2ac2d_b:Ba-Cu-Li-O-Y +mp-1235464,BaLiYCu2O5,-6.35146794,-2.0288453584,0.2812920308,0.2812920308,GGA,Amm2,AB2CD5E_oC20_38_a_c_b_af_b:Ba-Cu-Li-O-Y,10.0,AB2CD5E_oC20_38_a_c_b_af_b:Ba-Cu-Li-O-Y +mp-1235536,BaLiYCu2O5,-6.448114647,-2.1254920654,0.1846453238,0.1846453238,GGA,P4mm,AB2CD5E_tP10_99_a_2b_a_b2c_a:Ba-Cu-Li-O-Y,10.0,AB2CD5E_tP10_99_a_2b_a_b2c_a:Ba-Cu-Li-O-Y +mp-774711,Ba14LiY7(Cu10O21)2,-6.5873403524,-2.256567387,0.013319646,0.013319646,GGA,P1,A14B20CD42E7_aP84_1_14a_20a_a_42a_7a:Ba-Cu-Li-O-Y,84.0,A14B20CD42E7_aP84_1_14a_20a_a_42a_7a:Ba-Cu-Li-O-Y +mp-1200253,CsMoN3O11,-6.9454233144,-1.2476662468,0.0,-0.0109549982,GGA+U,C2,ABC3D11_mC64_5_ab_c_3c_11c:Cs-Mo-N-O,32.0,ABC3D11_mC64_5_ab_c_3c_11c:Cs-Mo-N-O +mp-1246324,Cs6MoN4,-4.5604689432,-0.0546467575,0.2978087877,0.2978087877,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:Cs-Mo-N,22.0,A6BC4_tP22_137_df_a_g:Cs-Mo-N +mp-1203937,Mo2N5Cl9O,-4.0834780059,0.9140098468,1.8692895538,1.8692895538,GGA+U,Cmc2_1,A9B2C5D_oC68_36_5a2b_2a_a2b_a:Cl-Mo-N-O,34.0,A9B2C5D_oC68_36_5a2b_2a_a2b_a:Cl-Mo-N-O +mp-1236949,Mo2N5Cl9O,-4.4814742968,0.516013556,1.4712932629,1.4712932629,GGA+U,Cmc2_1,A9B2C5D_oC68_36_5a2b_2a_a2b_a:Cl-Mo-N-O,34.0,A9B2C5D_oC68_36_5a2b_2a_a2b_a:Cl-Mo-N-O +mp-1200940,Mo6N2Cl14O,-4.8178505683,0.0766317127,1.3603868187,1.3603868187,GGA+U,C2/c,A14B6C2D_mC92_15_7f_3f_ae_e:Cl-Mo-N-O,46.0,A14B6C2D_mC92_15_7f_3f_ae_e:Cl-Mo-N-O +mp-1182795,Cs2MoN(Cl2O)2,-5.338910365,-1.5128629808,0.2166361004,0.2166361004,GGA+U,P2_1/m,A4B2CDE2_mP20_11_2f_2e_e_e_2e:Cl-Cs-Mo-N-O,20.0,A4B2CDE2_oC40_63_h_2c_c_c_2c:Cl-Cs-Mo-N-O +mp-1354315,Cs2MoN(Cl2O)2,-5.338549526,-1.5125021418,0.2169969394,0.2169969394,GGA+U,Cmcm,A4B2CDE2_oC40_63_h_2c_c_c_2c:Cl-Cs-Mo-N-O,20.0,A4B2CDE2_oC40_63_h_2c_c_c_2c:Cl-Cs-Mo-N-O +mp-1204886,MoN2Cl5O,-4.3148578831,0.3193656693,1.3321580978,1.3321580978,GGA+U,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-Mo-N-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-Mo-N-O +mp-1247239,Cs3Mo2N5,-7.160012282,-0.5540140859,0.0293006597,0.0293006597,GGA,I4_1,A3B2C5_tI80_80_2a2b_2b_5b:Cs-Mo-N,40.0,A3B2C5_tI80_80_2a2b_2b_5b:Cs-Mo-N +mp-685609,Cs10(Mo2N5)3,-7.0103193542,-0.5885339266,0.0,-0.0523912628,GGA,R-3c,A10B6C15_hR186_167_bef_f_e2f:Cs-Mo-N,62.0,"Invalid WP multiplicities - A10B6C15_hR186_167_2b2e4f_f_6e11f:Cs-Mo-N, expected Cs16(MoN14)3 to be Cs10(Mo2N5)3" +mp-1080845,CsMoN2,-7.7008738706,-0.5973632876,0.0,-0.0254532047,GGA,Pbcm,ABC2_oP32_57_cd_cd_ade:Cs-Mo-N,32.0,ABC2_oP32_57_cd_cd_ade:Cs-Mo-N +mp-1518906,KHfSnBiO6,-7.254020687,-2.3942425641,0.1652949446,0.1652949446,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Hf-K-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Hf-K-O-Sn +mp-560268,K2Mo3(AsO5)4,-7.1118587191,-1.8591691995,0.0,-0.0039686959,GGA+U,C2/c,A4B2C3D20_mC116_15_2f_f_ef_10f:As-K-Mo-O,58.0,"Invalid WP multiplicities - A4B2C3D20_mC116_15_4f_f_2e2f_36f:As-K-Mo-O, expected KMo3(AsO9)4 to be K2Mo3(AsO5)4" +mp-560582,KMoAsO6,-7.0962972803,-1.9523750881,0.0014273613,0.0014273613,GGA+U,Pnma,ABCD6_oP36_62_c_a_c_4cd:As-K-Mo-O,36.0,"Invalid WP multiplicities - ABCD6_oP36_62_c_a_c_15c7d:As-K-Mo-O, expected KMoAsO29 to be KMoAsO6" +mp-561554,K2MoAs2O9,-6.7408016155,-1.9618813859,0.0,-0.0127797524,GGA+U,P2_1/c,A2B2CD9_mP56_14_2e_2e_e_9e:As-K-Mo-O,56.0,"Invalid WP multiplicities - A2B2CD9_mP56_14_6e_4e_e_35e:As-K-Mo-O, expected K4MoAs6O35 to be K2MoAs2O9" +mp-1203695,KMo4AsO15,-7.8045909319,-1.9306648147,0.0069797618,0.0069797618,GGA+U,P2_12_12_1,ABC4D15_oP84_19_a_a_4a_15a:As-K-Mo-O,84.0,ABC4D15_oP84_19_a_a_4a_15a:As-K-Mo-O +mp-1205282,KCoMo3(AsO6)3,-7.037063223,-1.507316335,0.3245465963,0.3245465963,GGA+U,Pa-3,A3BCD3E18_cP208_205_d_ab_c_d_6d:As-Co-K-Mo-O,208.0,A3BCD3E18_cP208_205_d_ab_c_d_6d:As-Co-K-Mo-O +mp-1221307,Na3Yb(PO4)2,-6.7193784869,-2.7259999966,0.0,-0.0044727198,GGA,R3,A3B8C2D_hR126_146_3a2b_8b_2b_3a:Na-O-P-Yb,,A3B8C2D_hR126_146_3a2b_8b_2b_3a:Na-O-P-Yb +mp-566385,Na2YbMoPO8,-7.1416380108,-2.524936382,0.0566333269,0.0566333269,GGA+U,Ibca,AB2C8DE_oI104_73_d_f_4f_c_c:Mo-Na-O-P-Yb,,"Invalid WP multiplicities - AB2C8DE_oI104_73_d_f_23f_c_c:Mo-Na-O-P-Yb, expected Na2YbMoPO46 to be Na2YbMoPO8" +mp-560074,NaYbP2O7,-7.2122069827,-2.8198833859,0.0074965002,0.0074965002,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Yb,,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_3e_e:Na-O-P-Yb, expected NaYb(PO8)3 to be NaYbP2O7" +mp-1103762,Rb3Er(PO4)2,-7.1080277929,-2.9716395264,0.0,-0.0387663421,GGA,P-3m1,AB8C2D3_hP14_164_a_di_d_bd:Er-O-P-Rb,14.0,AB8C2D3_hP14_164_a_di_d_bd:Er-O-P-Rb +mp-1196892,RbErP2O7,-7.7925894834,-3.1560732221,0.0,-0.0214905242,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Er-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Er-O-P-Rb +mp-686635,Rb16Er7Ti9(PO4)24,-7.8446312206,-3.0846089744,0.0053429999,0.0053429999,GGA,P1,A7B96C24D16E9_aP152_1_7a_96a_24a_16a_9a:Er-O-P-Rb-Ti,152.0,A7B96C24D16E9_aP152_1_7a_96a_24a_16a_9a:Er-O-P-Rb-Ti +mp-1220012,Rb2ErTi(PO4)3,-7.8435284822,-3.1053994808,0.0016349768,0.0016349768,GGA,P2_13,AB12C3D2E_cP76_198_a_4b_b_2a_a:Er-O-P-Rb-Ti,76.0,AB12C3D2E_cP76_198_a_4b_b_2a_a:Er-O-P-Rb-Ti +mp-766713,ZnFe2As2(HO5)2,-6.5766707218,-1.6490023663,0.0,-0.0086068486,GGA+U,P2_1/c,A2B2C2D10E_mP34_14_e_e_e_5e_a:As-Fe-H-O-Zn,34.0,"Invalid WP multiplicities - A2B2C2D10E_mP34_14_e_e_e_17e_a:As-Fe-H-O-Zn, expected ZnFe2As2(HO17)2 to be ZnFe2As2(HO5)2" +mp-1217203,TiBi8W(ClO8)2,-6.7633329246,-1.9625604965,0.0196450604,0.0196450604,GGA+U,Imm2,A8B2C16DE_oI56_44_4c_c_2c2d2e_a_b:Bi-Cl-O-Ti-W,28.0,"Invalid WP multiplicities - A8B2C16DE_oI56_44_6c_c_3c3d6e_a_b:Bi-Cl-O-Ti-W, expected TiBi12W(ClO18)2 to be TiBi8W(ClO8)2" +mp-1520394,BaTbEuVO6,-5.5949803428,-0.037542225,3.2534794657,3.2534794657,GGA+U,P222,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Tb-V,,ABC6DE_oP40_16_abch_defg_6u_u_u:Ba-Eu-O-Tb-V +mp-1520472,BaTbEuVO6,-8.696976985,-3.1395388673,0.1514828234,0.1514828234,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Tb-V,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-Tb-V +mp-1518831,BaSrEuVO6,-8.180571205,-2.9176203519,0.1491444119,0.1491444119,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ba-Eu-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ba-Eu-O-Sr-V +mp-683943,Na2MoC3SeN3,-7.416847442,-0.4486380993,0.0749250275,0.0749250275,GGA,I4_1/amd,A3BC3D2E_tI160_141_hi_h_hi_fh_h:C-Mo-N-Na-Se,80.0,"Invalid WP multiplicities - A3BC3D2E_tI160_141_6h7i_h_5h6i_6f5h_h:C-Mo-N-Na-Se, expected Na11MoC20SeN17 to be Na2MoC3SeN3" +mp-1180460,Mo3C8Se13N2,-6.0303775204,0.4498576077,0.7917607105000001,0.7917607105000001,GGA,Cm,A8B3C2D13_mC52_8_4b_ab_b_5a4b:C-Mo-N-Se,26.0,"Invalid WP multiplicities - A8B3C2D13_mC52_8_7b_a2b_b_5a6b:C-Mo-N-Se, expected Mo5C14Se17N2 to be Mo3C8Se13N2" +mp-1523133,BaYSnSbO6,-7.2432446772,-2.6228295357,0.1553935506,0.1553935506,GGA,Pnnn,AB6CDE_oP40_48_ab_3m_e_cd_f:Ba-O-Sb-Sn-Y,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_ab_6m_e_2c2d_f:Ba-O-Sb-Sn-Y, expected BaYSn2SbO12 to be BaYSnSbO6" +mp-1523351,BaYSnSbO6,-7.2403318085,-2.6199166669,0.1583064194,0.1583064194,GGA,P-4n2,AB6CDE_tP20_118_c_ei_a_d_b:Ba-O-Sb-Sn-Y,20.0,AB6CDE_tP20_118_c_ei_a_d_b:Ba-O-Sb-Sn-Y +mp-1523132,BaYSnSbO6,-7.224181702,-2.6037665604,0.1744565259,0.1744565259,GGA,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sn-Y,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sb-Sn-Y +mp-1233385,Ba2CaV2(Si2O7)2,-8.1141397504,-3.1156060123,0.1001600168,0.1001600168,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V +mp-1233644,Ba2CaV2(Si2O7)2,-7.9952427278,-2.9967089897,0.2190570394,0.2190570394,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V +mp-1234941,Ba2CaV2(Si2O7)2,-8.0353167704,-3.0367830323,0.1789829968,0.1789829968,GGA+U,P1,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V,23.0,A2BC14D4E2_aP23_1_2a_a_14a_4a_2a:Ba-Ca-O-Si-V +mp-1233426,Ba2CaV2(Si2O7)2,-8.0442705357,-3.0457367975,0.1700292316,0.1700292316,GGA+U,C2,A2BC14D4E2_mC46_5_c_a_ab6c_2c_c:Ba-Ca-O-Si-V,23.0,A2BC14D4E2_mC46_5_c_a_ab6c_2c_c:Ba-Ca-O-Si-V +mp-1197982,K2LiIn(MoO4)3,-7.3430809026,-2.1442061997,0.0,-0.0099129646,GGA+U,P2_1,AB2CD3E12_mP38_4_a_2a_a_3a_12a:In-K-Li-Mo-O,38.0,AB2CD3E12_mP38_4_a_2a_a_3a_12a:In-K-Li-Mo-O +mp-1035899,YMg14NbO16,-6.5344483472,-2.8432384649,0.2116293038,0.2116293038,GGA,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Nb-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Nb-O-Y, expected YMg18NbO20 to be YMg14NbO16" +mp-1035920,YMg14NbO16,-6.5350796259,-2.8438697436,0.2109980251,0.2109980251,GGA,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Nb-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Nb-O-Y, expected YMg30NbO32 to be YMg14NbO16" +mp-1037200,YMg30NbO32,-6.4314039145,-2.9490567831,0.105397251,0.105397251,GGA,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Nb-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Nb-O-Y, expected YMg90NbO80 to be YMg30NbO32" +mp-1037209,YMg30NbO32,-6.4323940455,-2.950046914,0.10440712,0.10440712,GGA,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Nb-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Nb-O-Y, expected YMg110NbO72 to be YMg30NbO32" +mp-1022736,YMg6Nb,-3.0951728206,0.176009236,0.2305303468,0.2305303468,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Nb-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Nb-Y, expected YMg12Nb to be YMg6Nb" +mp-1022811,YMg6Nb,-3.1156310069,0.1555510498,0.2100721606,0.2100721606,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Nb-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Nb-Y, expected YMg12Nb to be YMg6Nb" +mp-1028029,YMg14Nb,-2.3633572012,0.0723738521,0.1117996124,0.1117996124,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Nb-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Nb-Y, expected YMg18Nb to be YMg14Nb" +mp-1028012,YMg14Nb,-2.3414392469,0.0942918065,0.1337175668,0.1337175668,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Nb-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Nb-Y, expected YMg26Nb to be YMg14Nb" +mp-1031866,YMg6NbO8,-6.8476282762,-2.7386928923,0.3170023458,0.3170023458,GGA,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Nb-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Nb-O-Y, expected YMg6NbO12 to be YMg6NbO8" +mp-1031907,YMg6NbO8,-6.7587228712,-2.6497874873,0.4059077508,0.4059077508,GGA,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Nb-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Nb-O-Y, expected YMg6NbO12 to be YMg6NbO8" +mp-2217855,Ba2YMgNbO6,-7.4953052564,-2.7965654063,0.4139611828,0.4139611828,GGA,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Nb-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_c_a_2e2l_b:Ba-Mg-Nb-O-Y, expected Ba2YMgNbO12 to be Ba2YMgNbO6" +mp-2217320,Ba2YMgNbO6,-7.5450594245,-2.8463195745,0.3642070146,0.3642070146,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Nb-O-Y, expected Ba2YMgNbO15 to be Ba2YMgNbO6" +mp-2224800,Ba2YMgNbO6,-7.4743228055,-2.7755829554,0.4349436337,0.4349436337,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Nb-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_5b_a:Ba-Mg-Nb-O-Y, expected Ba2YMgNbO15 to be Ba2YMgNbO6" +mp-2242160,Y2MgNb2O8,-8.9164284923,-3.2003252579,0.2042552078,0.2042552078,GGA,C2,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Y,13.0,AB2C8D2_mC26_5_a_ab_4c_ab:Mg-Nb-O-Y +mp-1043092,CaTiNiP2O9,-7.9941402763,-2.9207094197,0.0,-0.0193158582,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Ti,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-Ti +mp-1044432,CaTiNi(PO4)3,-7.8286243942,-2.7574354702,0.0398655888,0.0398655888,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Ca-Ni-O-P-Ti, expected CaTiNi(PO18)3 to be CaTiNi(PO4)3" +mp-771917,Li4Fe3Ni3(WO8)2,-7.4138040504,-1.8620381583,0.0423582361,0.0423582361,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Ni-O-W, expected Li4Fe3Ni3(WO10)2 to be Li4Fe3Ni3(WO8)2" +mp-753980,Li4Mn2TeWO12,-7.073139473,-2.0020683375,0.0589836141,0.0589836141,GGA+U,P1,A4B2C12DE_aP20_1_4a_2a_12a_a_a:Li-Mn-O-Te-W,20.0,A4B2C12DE_aP20_1_4a_2a_12a_a_a:Li-Mn-O-Te-W +mp-1235042,Sr2LiCoWO6,-7.3493078236,-2.3461723631,0.1983985657,0.1983985657,GGA+U,P-1,ABC6D2E_aP11_2_c_a_3i_i_d:Co-Li-O-Sr-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_c_a_4i_i_d:Co-Li-O-Sr-W, expected Sr2LiCoWO8 to be Sr2LiCoWO6" +mp-1236582,Sr2LiCoWO6,-7.39089492,-2.3877594595,0.1568114694,0.1568114694,GGA+U,C2/m,ABC6D2E_mC22_12_b_a_ij_i_c:Co-Li-O-Sr-W,11.0,"Invalid WP multiplicities - ABC6D2E_aP11_2_c_a_4i_i_d:Co-Li-O-Sr-W, expected Sr2LiCoWO8 to be Sr2LiCoWO6" +mp-1192436,Na5Eu4Si4O16F,-8.0320495067,-3.0187027022,0.0073134797,0.0073134797,GGA,I-4,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Eu-F-Na-O-Si,30.0,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Eu-F-Na-O-Si +mp-558207,Eu5Si3O12F,-9.6359989057,-3.5011081156,0.0,-0.0868921638,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Eu-F-O-Si,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_3f4h_a_11h9i_h:Eu-F-O-Si, expected Eu18Si3O87F to be Eu5Si3O12F" +mp-16594,K3TbSi2O7,-7.1910426101,-3.0800410732,0.0,-0.0627613591,GGA,P6_3/mcm,A3B7C2D_hP78_193_bck_gkl_k_ad:K-O-Si-Tb,78.0,"Invalid WP multiplicities - A3B7C2D_hP78_193_2bc2k_gkl_k_2ad:K-O-Si-Tb, expected K16Tb4(Si2O7)3 to be K3TbSi2O7" +mp-1198876,KNa2Tb(SiO3)8,-7.07572844,-2.3392593027,0.4066663791,0.4066663791,GGA,C2/m,AB2C24D8E_mC144_12_e_gh_h5i9j_4i2j_ab:K-Na-O-Si-Tb,72.0,AB2C24D8E_mC144_12_f_gh_h5i9j_4i2j_ab:K-Na-O-Si-Tb +mp-1213575,ErZr6(PO4)9,-8.6750692964,-3.2394070127,0.0105804362,0.0105804362,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Er-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Er-O-P-Zr +mp-690951,ErZr11Si11PO48,-9.1189419635,-3.5477574535,0.0080147608,0.0080147608,GGA,C222,AB48CD11E11_oC288_21_k_24l_k_ad2i3j5k_bc3i2j5k:Er-O-P-Si-Zr,144.0,"Invalid WP multiplicities - AB48CD11E11_oC288_21_k_92l_k_ad4i6j10k_bc6i4j10k:Er-O-P-Si-Zr, expected ErZr21Si21PO184 to be ErZr11Si11PO48" +mp-1189692,Cr5Si3B,-8.2240049244,-0.3106067899,0.0588675697,0.0588675697,GGA,P6_3/mcm,AB5C3_hP18_193_b_dg_g:B-Cr-Si,18.0,AB5C3_hP18_193_b_dg_g:B-Cr-Si +mp-773206,Li3CrSiBO7,-7.358134325,-2.5803384135,0.0829083739,0.0829083739,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Li-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Cr-Li-O-Si, expected Li4CrSiBO13 to be Li3CrSiBO7" +mp-2647006,Cr5SiB2,-8.7577908156,-0.3766234504,0.0495611881,0.0495611881,GGA,I4/mcm,A2B5C_tI32_140_h_cl_a:B-Cr-Si,32.0,A2B5C_tI32_140_h_cl_a:B-Cr-Si +mp-1177424,Li4Mn3V3(CuO8)2,-7.3568668307,-2.0097636781,0.1085808213,0.1085808213,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cu-Li-Mn-O-V,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cu-Li-Mn-O-V, expected Li4Mn3V3(CuO10)2 to be Li4Mn3V3(CuO8)2" +mp-756039,Li4Mn3V2Cu3O16,-7.0281567221,-1.8590785481,0.0793256892,0.0793256892,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cu-Li-Mn-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cu-Li-Mn-O-V, expected Li4Mn3V2Cu3O20 to be Li4Mn3V2Cu3O16" +mp-774824,Li2MnV4CuO12,-7.8431561935,-2.204408368,0.0781171284,0.0781171284,GGA+U,C2,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Cu-Li-Mn-O-V,20.0,"Invalid WP multiplicities - AB2CD12E4_mC40_5_a_ab_b_12c_4c:Cu-Li-Mn-O-V, expected Li2MnV8CuO24 to be Li2MnV4CuO12" +mp-1202030,Ce2AlSi2O9,-8.6047720555,-3.5345871554,0.0283068073,0.0283068073,GGA,P2_1/c,AB2C9D2_mP56_14_e_2e_9e_2e:Al-Ce-O-Si,56.0,AB2C9D2_mP56_14_e_2e_9e_2e:Al-Ce-O-Si +mp-1019774,K2CeAl(SiO3)4,-7.911452611,-3.2634026343,0.0,-0.0154736945,GGA,C2/c,ABC2D12E4_mC160_15_f_f_2f_12f_4f:Al-Ce-K-O-Si,80.0,ABC2D12E4_mC160_15_f_f_2f_12f_4f:Al-Ce-K-O-Si +mp-557649,K2Ce(Si2O5)3,-8.0256104813,-3.2378552355,0.0,-0.0123037125,GGA,C2/c,AB2C15D6_mC96_15_e_f_e7f_3f:Ce-K-O-Si,48.0,"Invalid WP multiplicities - AB2C15D6_mC96_15_e_f_2e24f_10f:Ce-K-O-Si, expected K2Ce(Si2O5)10 to be K2Ce(Si2O5)3" +mp-21973,CeTl5Co2(NO2)12,-6.5514709593,-0.8532571264000001,0.2270569804,0.2270569804,GGA+U,Pn-3,AB2C12D24E5_cP88_201_a_b_h_2h_cd:Ce-Co-N-O-Tl,88.0,"Invalid WP multiplicities - AB2C12D24E5_cP88_201_a_b_h_3h_cd:Ce-Co-N-O-Tl, expected CeTl5Co2(NO3)12 to be CeTl5Co2(NO2)12" +mp-1225726,Cu4IBr3,-3.1218557438,-0.3056959913,0.2060815506,0.2060815506,GGA,R-3m,A3B4C_hR24_166_ac_2c_b:Br-Cu-I,8.0,"Invalid WP multiplicities - A3B4C_hR24_166_a2c_2c_b:Br-Cu-I, expected Cu4IBr5 to be Cu4IBr3" +mp-1225799,Cu2IBr,-3.0514008525,-0.2451988475,0.2187849112,0.2187849112,GGA,R-3m,AB2C_hR12_166_a_c_b:Br-Cu-I,4.0,AB2C_hR12_166_a_c_b:Br-Cu-I +mp-1225709,Cu4I3Br,-2.9835476475,-0.18730339,0.2288865856,0.2288865856,GGA,C2/m,AB4C3_mC16_12_a_2i_di:Br-Cu-I,8.0,"Invalid WP multiplicities - AB4C3_mC16_12_a_2i_c2i:Br-Cu-I, expected Cu4I5Br to be Cu4I3Br" +mp-561179,Ba2CuIO2,-5.4571406192000005,-2.2398238988,0.0,-0.0547684396,GGA,P2_1/m,A2BCD2_mP24_11_4e_2e_2e_4e:Ba-Cu-I-O,24.0,"Invalid WP multiplicities - A2BCD2_mP24_11_7e_2e_3e_8e:Ba-Cu-I-O, expected Ba7Cu2I3O8 to be Ba2CuIO2" +mp-1228061,Ba4Cu2IBrO4,-5.5295426975,-2.3055874787,0.0044692671,0.0044692671,GGA,P2/m,A4BC2DE4_mP12_10_mn_b_ch_d_mn:Ba-Br-Cu-I-O,12.0,"Invalid WP multiplicities - A4BC2DE4_mP12_10_2m2n_b_ce_g_2m2n:Ba-Br-Cu-I-O, expected Ba8Cu2IBrO8 to be Ba4Cu2IBrO4" +mp-1147524,Ba4Cu3IO12,-5.8407429575,-1.8003854248,0.1104680242,0.1104680242,GGA,Im-3m,A4B3CD12_cI40_229_c_b_a_de:Ba-Cu-I-O,20.0,"Invalid WP multiplicities - A4B3CD12_cI40_229_c_b_a_2de:Ba-Cu-I-O, expected Ba4Cu3IO18 to be Ba4Cu3IO12" +mp-20140,Rb2FeCu(CN)6,-7.6050361737,-0.1099575156,0.1889353205,0.1889353205,GGA,Fm-3m,A6BCD6E2_cF64_225_e_a_b_e_c:C-Cu-Fe-N-Rb,16.0,A6BCD6E2_cF64_225_e_a_b_e_c:C-Cu-Fe-N-Rb +mp-1182192,KNa4Te2PdO22,-4.9040554823,-0.6809173035,0.3386623466,0.3386623466,GGA,P-1,AB4C22DE2_aP60_2_i_4i_22i_i_2i:K-Na-O-Pd-Te,60.0,AB4C22DE2_aP60_2_i_4i_22i_i_2i:K-Na-O-Pd-Te +mp-1068813,K2Te2Pd,-3.624191866,-0.8867335679,0.087395336,0.04261827,GGA,Immm,A2BC2_oI10_71_e_a_h:K-Pd-Te,5.0,A2BC2_oI10_71_e_a_h:K-Pd-Te +mp-1206350,K2Te2Pd,-3.711587202,-0.9741289039,0.0,-0.044777066,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pd-Te,5.0,A2BC2_oI10_71_e_c_g:K-Pd-Te +mp-1201322,Ce2TeMo6(H6O7)6,-6.3314435272,-1.6190015921,0.0305570811,0.0305570811,GGA+U,P-1,A2B36C6D42E_aP87_2_i_18i_3i_21i_a:Ce-H-Mo-O-Te,87.0,A2B36C6D42E_aP87_2_i_18i_3i_21i_a:Ce-H-Mo-O-Te +mp-1229283,Ce2Te(Mo2O15)3,-6.3197560202,-0.7144897819,0.6773442435,0.6773442435,GGA+U,P1,A2B6C45D_aP54_1_2a_6a_45a_a:Ce-Mo-O-Te,54.0,A2B6C45D_aP54_1_2a_6a_45a_a:Ce-Mo-O-Te +mp-1190475,Lu2CoTe2(SO7)2,-7.1161004819,-2.3559398956,0.0,-0.007613583,GGA+U,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Lu-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Co-Lu-O-S-Te +mp-1520917,NaSrCeWO6,-7.975610335,-2.8172732951,0.1419765299,0.1419765299,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ce-Na-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ce-Na-O-Sr-W +mp-1215128,Cs2MgCr2(H6O7)2,-5.9235683526,-1.6440995064,0.0,-0.007732726,GGA+U,P2_1/c,A2B2C12DE14_mP62_14_e_e_6e_a_7e:Cr-Cs-H-Mg-O,62.0,A2B2C12DE14_mP62_14_e_e_6e_a_7e:Cr-Cs-H-Mg-O +mp-1017080,CsMg6Cr,-2.0412199419,0.4775463259,0.4921436578,0.4921436578,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Cs-Mg, expected CsMg12Cr to be CsMg6Cr" +mp-1017099,CsMg6Cr,-2.0332437856,0.4855224821,0.5001198141000001,0.5001198141000001,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Cs-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Cs-Mg, expected CsMg12Cr to be CsMg6Cr" +mp-1039633,CsMg30CrO32,-6.260012527,-2.8717173692,0.1182812146,0.1182812146,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-Cs-Mg-O, expected CsMg110CrO72 to be CsMg30CrO32" +mp-1039740,CsMg30CrO32,-6.2652273792,-2.8769322214,0.1130663624,0.1130663624,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-Cs-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-Cs-Mg-O, expected CsMg90CrO80 to be CsMg30CrO32" +mp-1197420,MgCrH22O15,-5.5202545182,-1.4152896162,0.0066602776,0.0066602776,GGA+U,P-1,AB22CD15_aP78_2_i_22i_ab_15i:Cr-H-Mg-O,78.0,AB22CD15_aP78_2_i_22i_ab_15i:Cr-H-Mg-O +mp-1026605,CsMg14Cr,-1.8036612506,0.2558619083,0.2728921289,0.2728921289,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Cs-Mg, expected CsMg18Cr to be CsMg14Cr" +mp-1026604,CsMg14Cr,-1.8033532362,0.2561699226,0.2732001432,0.2732001432,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Cs-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Cs-Mg, expected CsMg26Cr to be CsMg14Cr" +mp-1199101,MgCrH10O9,-5.8045064781,-1.5330404604,0.008820182,0.008820182,GGA+U,P-1,AB10CD9_aP42_2_i_10i_bc_9i:Cr-H-Mg-O,42.0,AB10CD9_aP42_2_i_10i_bc_9i:Cr-H-Mg-O +mp-1099262,CsMg6CrO8,-5.968924225,-2.2361967355,0.5616767014,0.5616767014,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-Cs-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-Cs-Mg-O, expected CsMg6CrO12 to be CsMg6CrO8" +mp-1099222,CsMg14CrO16,-6.1652917191,-2.662185784,0.2637710842,0.2637710842,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-Cs-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-Cs-Mg-O, expected CsMg18CrO20 to be CsMg14CrO16" +mp-772625,Na2SnBAsO7,-6.5227906225,-2.1377944895,0.0777797484,0.0777797484,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-B-Na-O-Sn,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-B-Na-O-Sn, expected Na2SnBAsO13 to be Na2SnBAsO7" +mp-1517099,NaTbEuWO6,-8.757456696,-2.8722411269,0.0405872449,0.0405872449,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-Tb-W +mp-1517359,KCaCeFeO6,-7.125276463,-2.4053523171,0.1647237304,0.1647237304,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ca-Ce-Fe-K-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ca-Ce-Fe-K-O +mp-1520748,KSrSmFeO6,-6.795201553,-2.2283383517,0.1330578577,0.1330578577,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_b_d:Fe-K-O-Sm-Sr,10.0,ABC6DE_cF40_216_a_c_f_b_d:Fe-K-O-Sm-Sr +mp-2230963,MgTi2(PS3)4,-5.5768498132,-0.9093828388,0.104534681,0.104534681,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti +mp-2230531,MgTi2(PS3)4,-5.5707707074,-0.903303733,0.1106137868,0.1106137868,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti +mp-2231068,MgTi2(PS3)4,-5.5660629995,-0.8985960251,0.1153214946,0.1153214946,GGA,P1,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti,19.0,AB4C12D2_aP19_1_a_4a_12a_2a:Mg-P-S-Ti +mp-2230807,MgTi2(PS3)4,-5.6048086616,-0.9373416872,0.0765758325,0.0765758325,GGA,C2,AB4C12D2_mC38_5_a_2c_6c_ab:Mg-P-S-Ti,19.0,"Invalid WP multiplicities - AB4C12D2_mC38_5_a_3c_6c_ab:Mg-P-S-Ti, expected MgTi2(PS2)6 to be MgTi2(PS3)4" +mp-558747,TiTlPS5,-5.5745845612,-1.0303736857,0.003341145,-0.0234414034,GGA,P-1,AB5CD_aP16_2_i_5i_i_i:P-S-Ti-Tl,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_i:P-S-Ti-Tl, expected TiTlPS9 to be TiTlPS5" +mp-1542940,TiTlPS5,-5.5779257063,-1.0337148307,0.0,-0.0267825484,GGA,C2/m,AB5CD_mC32_12_i_3ij_g_i:P-S-Ti-Tl,16.0,"Invalid WP multiplicities - AB5CD_mC32_12_i_5i3j_g_i:P-S-Ti-Tl, expected TiTlPS11 to be TiTlPS5" +mp-2228924,MgTi2Tl2(PS5)2,-5.3769080676,-1.0058695936,0.1064792695,0.1064792695,GGA,P1,AB2C10D2E2_aP17_1_a_2a_10a_2a_2a:Mg-P-S-Ti-Tl,17.0,AB2C10D2E2_aP17_1_a_2a_10a_2a_2a:Mg-P-S-Ti-Tl +mp-2229411,MgTi2Tl2(PS5)2,-5.3991937906,-1.0281553165,0.0841935465,0.0841935465,GGA,P1,AB2C10D2E2_aP17_1_a_2a_10a_2a_2a:Mg-P-S-Ti-Tl,17.0,AB2C10D2E2_aP17_1_a_2a_10a_2a_2a:Mg-P-S-Ti-Tl +mp-2228964,MgTi2Tl2(PS5)2,-5.3878295024,-1.0167910283,0.0955578347,0.0955578347,GGA,P-1,AB2C10D2E2_aP17_2_a_i_5i_i_i:Mg-P-S-Ti-Tl,17.0,"Invalid WP multiplicities - AB2C10D2E2_aP17_2_a_i_9i_i_i:Mg-P-S-Ti-Tl, expected MgTi2Tl2(PS9)2 to be MgTi2Tl2(PS5)2" +mp-1217446,Ti2Tl3P5S18,-5.2865623466,-0.8436507891,0.0,-0.0109555364,GGA,Cc,A5B18C2D3_mC112_9_5a_18a_2a_3a:P-S-Ti-Tl,56.0,"Invalid WP multiplicities - A5B18C2D3_mC112_9_7a_27a_3a_4a:P-S-Ti-Tl, expected Ti3Tl4P7S27 to be Ti2Tl3P5S18" +mp-771974,Na3CrBAsO7,-6.8409447869,-2.257409825,0.0207536012,0.0207536012,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Cr-Na-O,52.0,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-B-Cr-Na-O +mp-773526,Na3Cr(BO3)2,-7.1752282648,-2.4536000015,0.0423207683,0.0423207683,GGA+U,P2_1/c,A2BC3D6_mP48_14_2e_e_3e_6e:B-Cr-Na-O,48.0,"Invalid WP multiplicities - A2BC3D6_mP48_14_7e_e_11e_19e:B-Cr-Na-O, expected Na11CrB7O19 to be Na3Cr(BO3)2" +mp-16383,Na3Cr2(AsO4)3,-6.8773754363,-2.0468109077,0.0,-0.0297178952,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-Na-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-Na-O +mp-1194986,Na2Cu5TeS3O19,-5.8769411735,-1.4542470087,0.0531136925,0.0531136925,GGA,P2_1/m,A5B2C19D3E_mP60_11_a2f_be_5e7f_ef_e:Cu-Na-O-S-Te,60.0,A5B2C19D3E_mP60_11_a2f_be_5e7f_ef_e:Cu-Na-O-S-Te +mp-1519886,NdEuZrVO6,-9.457708437,-3.224019617,0.210474373,0.210474373,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Nd-O-V-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Nd-O-V-Zr +mp-1233080,MgFe6Sb10(IO3)6,-6.1094644349,-1.436512859,0.1119845103,0.1119845103,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1233566,MgFe6Sb10(IO3)6,-6.124209749,-1.4512581731,0.0972391962,0.0972391962,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1233623,MgFe6Sb10(IO3)6,-6.0884564751,-1.4155048992,0.1329924701,0.1329924701,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1233906,MgFe6Sb10(IO3)6,-6.1331746641,-1.4602230882,0.088274281,0.088274281,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1234104,MgFe6Sb10(IO3)6,-6.1038772812,-1.4309257053,0.117571664,0.117571664,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1234152,MgFe6Sb10(IO3)6,-6.0990887929,-1.426137217,0.1223601523,0.1223601523,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1234200,MgFe6Sb10(IO3)6,-6.1115990429,-1.438647467,0.1098499023,0.1098499023,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1234855,MgFe6Sb10(IO3)6,-6.1287987385000005,-1.4558471626,0.0926502066,0.0926502066,GGA+U,P1,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_1_6a_6a_a_18a_10a:Fe-I-Mg-O-Sb +mp-1233468,MgFe6Sb10(IO3)6,-6.1084812163,-1.4355296404,0.1129677288,0.1129677288,GGA+U,P-1,A6B6CD18E10_aP41_2_3i_3i_a_9i_5i:Fe-I-Mg-O-Sb,41.0,A6B6CD18E10_aP41_2_3i_3i_a_9i_5i:Fe-I-Mg-O-Sb +mp-1199909,Fe3Sb5(IO3)3,-6.2578230657,-1.5080547017,0.0,-0.0275558342,GGA+U,P-1,A3B3C9D5_aP40_2_3i_3i_9i_5i:Fe-I-O-Sb,40.0,A3B3C9D5_aP40_2_3i_3i_9i_5i:Fe-I-O-Sb +mp-1227859,Ca3Cu2Ni(PO4)4,-7.3015647402,-2.6555809299,0.0036863093,0.0036863093,GGA+U,P2_1,A3B2CD16E4_mP52_4_3a_2a_a_16a_4a:Ca-Cu-Ni-O-P,52.0,A3B2CD16E4_mP52_4_3a_2a_a_16a_4a:Ca-Cu-Ni-O-P +mp-555114,VCdClO3,-6.4548014783,-2.0055683744,0.0061813333,0.0061813333,GGA+U,Pnma,ABC3D_oP24_62_c_c_3c_c:Cd-Cl-O-V,24.0,"Invalid WP multiplicities - ABC3D_oP24_62_c_c_6c_c:Cd-Cl-O-V, expected VCdClO6 to be VCdClO3" +mp-555007,Rb4V5CdClO15,-7.2031714627,-2.3449628577,0.0,-0.0162270622,GGA+U,P4,ABC15D4E5_tP26_75_a_a_bc3d_d_bd:Cd-Cl-O-Rb-V,26.0,"Invalid WP multiplicities - ABC15D4E5_tP26_75_a_a_b2c9d_d_b2d:Cd-Cl-O-Rb-V, expected Rb4V9CdClO41 to be Rb4V5CdClO15" +mp-581862,Cs2NaAl(PO4)2,-6.9236327028,-2.8337026620000003,0.0,-0.0314388281,GGA,P2_1/c,AB2CD8E2_mP112_14_2e_4e_2e_16e_4e:Al-Cs-Na-O-P,112.0,"Invalid WP multiplicities - AB2CD8E2_mP112_14_7e_11e_5e_63e_13e:Al-Cs-Na-O-P, expected Cs11Na5Al7P13O63 to be Cs2NaAl(PO4)2" +mp-1190874,FeBi2PO8,-6.8688745471,-1.7740569082,0.1617263196,0.1617263196,GGA+U,C2/c,A2BC8D_mC48_15_f_a_4f_e:Bi-Fe-O-P,24.0,A2BC8D_mC48_15_f_c_4f_e:Bi-Fe-O-P +mp-1225123,Fe6Bi(P3O13)2,-7.7591901926,-2.2270276817,0.0513817754,0.0513817754,GGA+U,Pm,AB6C26D6_mP39_6_a_2a2bc_7a7b6c_3a3b:Bi-Fe-O-P,39.0,"Invalid WP multiplicities - AB6C26D6_mP39_6_a_2a2bc_7a7b9c_3a3b:Bi-Fe-O-P, expected Fe6Bi(P3O16)2 to be Fe6Bi(P3O13)2" +mp-1225376,FeBiPPbO7,-6.8875808082,-1.7909189086,0.2487379057,0.2487379057,GGA+U,Cm,ABC7DE_mC22_8_a_a_5ab_a_a:Bi-Fe-O-P-Pb,11.0,ABC7DE_mC22_8_a_a_5ab_a_a:Bi-Fe-O-P-Pb +mp-17711,BaNa2V2CuO8,-7.0859659661,-2.3427835356,0.021350799,0.021350799,GGA+U,C2/c,ABC2D8E2_mC56_15_e_a_f_4f_f:Ba-Cu-Na-O-V,28.0,ABC2D8E2_mC56_15_e_c_f_4f_f:Ba-Cu-Na-O-V +mp-1212330,Na3GdV2O8,-8.0747775418,-2.661561831,0.0118735986,0.0118735986,GGA+U,Cc,AB3C8D2_mC168_9_3a_9a_24a_6a:Gd-Na-O-V,84.0,AB3C8D2_mC168_9_3a_9a_24a_6a:Gd-Na-O-V +mp-1210565,Na3GdV2O8,-8.0173026786,-2.6040869678,0.0693484618,0.0693484618,GGA+U,P-3m1,AB3C8D2_hP14_164_a_bd_di_d:Gd-Na-O-V,14.0,AB3C8D2_hP14_164_a_bd_di_d:Gd-Na-O-V +mp-1047019,Sr2YAlFe2O7,-7.8440991388,-2.8319531966,0.0433748613,0.0433748613,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Fe-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Fe-O-Sr-Y +mp-1195152,Ba3V4ZnO14,-7.841389035,-2.7229374592,0.0124045698,0.0124045698,GGA+U,P2_1/c,A3B14C4D_mP88_14_3e_14e_4e_e:Ba-O-V-Zn,88.0,A3B14C4D_mP88_14_3e_14e_4e_e:Ba-O-V-Zn +mp-556688,Ba2V2ZnO8,-7.5805037952,-2.746733386,0.0024909946,0.0024909946,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Ba-O-V-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_4e_29e_6e_e:Ba-O-V-Zn, expected Ba4V6ZnO29 to be Ba2V2ZnO8" +mp-1227934,BaMgV2ZnO8,-7.4510979537,-2.641842536,0.0073197657,0.0073197657,GGA+U,Iba2,ABC8D2E_oI104_45_c_c_8c_abc_c:Ba-Mg-O-V-Zn,52.0,"Invalid WP multiplicities - ABC8D2E_oI104_45_c_c_18c_abc_c:Ba-Mg-O-V-Zn, expected BaMgV2ZnO18 to be BaMgV2ZnO8" +mp-1044331,BaV4ZnO8,-7.9663521036,-2.3172197807,0.2150322534,0.2150322534,GGA+U,P-31m,AB8C4D_hP14_162_a_ck_h_b:Ba-O-V-Zn,14.0,AB8C4D_hP14_162_a_ck_h_b:Ba-O-V-Zn +mp-560496,BaV2ZnO7,-7.6260810555,-2.5375945401,0.0097398426,0.0097398426,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ba-O-V-Zn,44.0,AB7C2D_mP44_14_e_7e_2e_e:Ba-O-V-Zn +mp-1214368,BaV2ZnO7,-7.5940660775,-2.5055795622,0.0417548206,0.0417548206,GGA+U,Pnma,AB7C2D_oP44_62_c_3c2d_2c_c:Ba-O-V-Zn,44.0,AB7C2D_oP44_62_c_3c2d_2c_c:Ba-O-V-Zn +mp-557112,Li4Ga3Si3IO12,-6.7656390424,-2.6860927594,0.0,-0.0158318343,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Ga-I-Li-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Ga-I-Li-O-Si +mp-567967,LiGaI4,-2.8440558675,-1.0389751526,0.0,-0.0083503729,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ga-I-Li,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ga-I-Li, expected LiGaI11 to be LiGaI4" +mp-29345,LiGaI3,-2.9085826215,-1.0371590337,0.0,-0.0012027768,GGA,P2_1/m,AB3C_mP20_11_2e_2e2f_ad:Ga-I-Li,20.0,"Invalid WP multiplicities - AB3C_mP20_11_4e_3e3f_2a2c:Ga-I-Li, expected Li4Ga4I9 to be LiGaI3" +mp-694972,Ce10Si10BrN17O9,-8.596934426,-2.1846426748,0.0263394507,0.0263394507,GGA,P1,AB10C17D9E10_aP94_1_2a_20a_34a_18a_20a:Br-Ce-N-O-Si,94.0,AB10C17D9E10_aP94_1_2a_20a_34a_18a_20a:Br-Ce-N-O-Si +mp-1522429,KLaDySbO6,-7.340927449,-2.8946948091,0.1098019072,0.1098019072,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-K-La-O-Sb,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-K-La-O-Sb +mp-1219947,Pr8Br13N3O,-5.884143744,-2.3484322313,0.0,-0.0838756214,GGA,Cc,A13B3CD8_mC100_9_13a_3a_a_8a:Br-N-O-Pr,50.0,"Invalid WP multiplicities - A13B3CD8_mC100_9_19a_4a_a_12a:Br-N-O-Pr, expected Pr12Br19N4O to be Pr8Br13N3O" +mp-1199807,Na2PrN5O16,-6.6244094303,-1.2804323325,0.0766123556,0.0766123556,GGA,P2/c,A5B2C16D_mP192_13_10g_4g_32g_efg:N-Na-O-Pr,192.0,A5B2C16D_mP192_13_10g_4g_32g_efg:N-Na-O-Pr +mp-1204306,Na4BrN3,-3.4340054525,0.5475713323,1.2050189034,1.2050189034,GGA,Pnnm,AB3C4_oP32_58_g_gh_egh:Br-N-Na,32.0,AB3C4_oP32_58_g_gh_egh:Br-N-Na +mp-684783,Na2Pr4Br9NO,-5.2502255109,-2.3661600866,0.0,-0.0119538164,GGA,P2_1,A9BC2DE4_mP34_4_9a_a_2a_a_4a:Br-N-Na-O-Pr,34.0,"Invalid WP multiplicities - A9BC2DE4_mP34_4_18a_a_4a_a_8a:Br-N-Na-O-Pr, expected Na4Pr8Br18NO to be Na2Pr4Br9NO" +mp-1517939,KCeHfSnO6,-8.034517384,-2.9654792586000003,0.1909899217,0.1909899217,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-K-O-Sn,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ce-Hf-K-O-Sn +mp-2222913,MgVCu3S4,-5.1354583411,-0.7435021636,0.2317134713,0.2317134713,GGA,P-42m,A3BC4D_tP9_111_af_b_n_c:Cu-Mg-S-V,9.0,"Invalid WP multiplicities - A3BC4D_tP9_111_a2f_b_n_c:Cu-Mg-S-V, expected MgVCu5S4 to be MgVCu3S4" +mp-2223640,MgVCu3S4,-5.1238076322,-0.7318514547,0.2433641802,0.2433641802,GGA,R3m,A3BC4D_hR27_160_b_a_ab_a:Cu-Mg-S-V,9.0,"Invalid WP multiplicities - A3BC4D_hR27_160_b_a_a2b_a:Cu-Mg-S-V, expected MgVCu3S7 to be MgVCu3S4" +mp-2224165,MgVCu3S4,-5.1519820744,-0.7600258969,0.215189738,0.215189738,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-S-V,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-S-V +mp-2228676,MgV4(CuS4)2,-6.283938566,-1.0022107923,0.1898836218,0.1898836218,GGA,Imm2,A2BC8D4_oI30_44_ab_a_2c2d_cd:Cu-Mg-S-V,15.0,"Invalid WP multiplicities - A2BC8D4_oI30_44_ab_a_4c4d_2c2d:Cu-Mg-S-V, expected MgV8(CuS8)2 to be MgV4(CuS4)2" +mp-2228618,MgV4(CuS4)2,-6.1458623373,-0.8641345637000001,0.3279598505,0.3279598505,GGA,I-4m2,A2BC8D4_tI30_119_ac_b_2i_i:Cu-Mg-S-V,15.0,"Invalid WP multiplicities - A2BC8D4_tI30_119_ac_b_6i_i:Cu-Mg-S-V, expected MgV4(CuS12)2 to be MgV4(CuS4)2" +mp-2228617,MgV4(CuS4)2,-6.301780662,-1.0200528883,0.1720415258,0.1720415258,GGA,R3m,A2BC8D4_hR45_160_2a_a_2a2b_ab:Cu-Mg-S-V,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_160_2a_a_2a4b_ab:Cu-Mg-S-V, expected MgV4(CuS7)2 to be MgV4(CuS4)2" +mp-2228644,MgV4(CuS4)2,-6.3286372733,-1.0469094997,0.1451849145,0.1451849145,GGA,R-3m,A2BC8D4_hR45_166_c_b_ch_ad:Cu-Mg-S-V,15.0,"Invalid WP multiplicities - A2BC8D4_hR45_166_c_b_c2h_a2d:Cu-Mg-S-V, expected MgV7(CuS7)2 to be MgV4(CuS4)2" +mp-2229071,Rb2MgV2(CuS2)4,-5.17204337,-0.9827736082,0.1456168858,0.1456168858,GGA,P1,A4BC2D8E2_aP17_1_4a_a_2a_8a_2a:Cu-Mg-Rb-S-V,17.0,A4BC2D8E2_aP17_1_4a_a_2a_8a_2a:Cu-Mg-Rb-S-V +mp-2229476,Rb2MgV2(CuS2)4,-5.2022776941,-1.0130079324,0.1153825617,0.1153825617,GGA,Pm,A4BC2D8E2_mP17_6_abc_a_ab_2a2b2c_ab:Cu-Mg-Rb-S-V,17.0,"Invalid WP multiplicities - A4BC2D8E2_mP17_6_ab2c_a_ab_2a2b4c_ab:Cu-Mg-Rb-S-V, expected Rb2MgV2(CuS2)6 to be Rb2MgV2(CuS2)4" +mp-2228990,Rb4MgV2(CuS4)2,-5.0009340547,-1.1785669515,0.1160548625,0.1160548625,GGA,P1,A2BC4D8E2_aP17_1_2a_a_4a_8a_2a:Cu-Mg-Rb-S-V,17.0,A2BC4D8E2_aP17_1_2a_a_4a_8a_2a:Cu-Mg-Rb-S-V +mp-2229431,Rb4MgV2(CuS4)2,-5.0140393265,-1.1916722232,0.1029495907,0.1029495907,GGA,C2,A2BC4D8E2_mC34_5_ab_a_2a2b_4c_ab:Cu-Mg-Rb-S-V,17.0,"Invalid WP multiplicities - A2BC4D8E2_mC34_5_ab_a_2a2b_6c_ab:Cu-Mg-Rb-S-V, expected Rb4MgV2(CuS6)2 to be Rb4MgV2(CuS4)2" +mp-672155,Rb2VCuS4,-5.230006305,-1.2687587609,0.01177848,-0.0137402264,GGA,C2,AB2C4D_mC32_5_ab_2c_4c_ab:Cu-Rb-S-V,16.0,"Invalid WP multiplicities - AB2C4D_oF64_43_a_b_6b_a:Cu-Rb-S-V, expected Rb2VCuS12 to be Rb2VCuS4" +mp-15219,Rb2VCuS4,-5.241784785,-1.2805372409,0.0,-0.0255187064,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-Rb-S-V +mp-15998,RbV(CuS2)2,-5.4358676862,-1.0847860675,0.0,-0.0161399756,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Cu-Rb-S-V,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_2ab_b_3b4c_b:Cu-Rb-S-V, expected RbVCu3S11 to be RbV(CuS2)2" +mp-1219622,RbLiMg(BH4)4,-4.1311643598,-0.4141678036,0.0049855158,0.0049855158,GGA,Aea2,A4B16CDE_oC92_41_2b_8b_a_a_a:B-H-Li-Mg-Rb,46.0,A4B16CDE_oC92_41_2b_8b_a_a_a:B-H-Li-Mg-Rb +mp-1017387,RbMg6B,-1.8042204512,0.3534803167,0.3863362581,0.3863362581,GGA,Amm2,AB6C_oC16_38_a_abde_b:B-Mg-Rb,8.0,AB6C_oC16_38_a_abde_b:B-Mg-Rb +mp-1100164,RbMg6B,-1.71999186,0.4377089079,0.4705648493,0.4705648493,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:B-Mg-Rb +mp-1026664,RbMg14B,-1.60307244,0.275917969,0.2984654476,0.2984654476,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Rb, expected RbMg18B to be RbMg14B" +mp-1026624,RbMg14B,-1.5505884399999998,0.328401969,0.3509494476,0.3509494476,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Rb, expected RbMg26B to be RbMg14B" +mp-1519196,KSrCeNbO6,-8.0719680087,-3.2205261225,0.0204007673,0.0204007673,GGA,Pnnn,ABCD6E_oP40_48_e_ab_f_3m_cd:Ce-K-Nb-O-Sr,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_f_6m_cd:Ce-K-Nb-O-Sr, expected K2SrCeNbO12 to be KSrCeNbO6" +mp-1519183,KSrCeNbO6,-8.054488075,-3.2030461887,0.037880701,0.037880701,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Nb-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Ce-K-Nb-O-Sr +mp-1019708,CsBaLiP2O7,-7.1232930013,-2.9418991537,0.0,-0.0098192639,GGA,P2_1/c,ABCD7E2_mP48_14_e_e_e_7e_2e:Ba-Cs-Li-O-P,48.0,ABCD7E2_mP48_14_e_e_e_7e_2e:Ba-Cs-Li-O-P +mp-733763,Cr2Hg2H2O9,-6.0288547817,-1.2809143709,0.0150227832,0.0150227832,GGA+U,C2/c,A2B2C2D9_mC60_15_f_f_f_e4f:Cr-H-Hg-O,30.0,A2B2C2D9_mC60_15_f_f_f_e4f:Cr-H-Hg-O +mp-2233535,MgCr2(HgO4)2,-6.0851444762,-1.3861255985,0.2950117745,0.2950117745,GGA+U,C2/m,A2B2CD8_mC26_12_i_ac_b_2ij:Cr-Hg-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_i_ac_b_4ij:Cr-Hg-Mg-O, expected MgCr2(HgO6)2 to be MgCr2(HgO4)2" +mp-2218914,MgCr2(HgO4)2,-6.1433513477,-1.44433247,0.2368049029,0.2368049029,GGA+U,Amm2,A2B2CD8_oC26_38_ab_c_a_2cde:Cr-Hg-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_ab_c_a_3c2de:Cr-Hg-Mg-O, expected MgCr2(HgO6)2 to be MgCr2(HgO4)2" +mp-2240967,MgCr2(HgO4)2,-6.1399359677,-1.44091709,0.2402202829,0.2402202829,GGA+U,Amm2,A2B2CD8_oC26_38_ab_c_a_2cde:Cr-Hg-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_ab_c_a_3cd2e:Cr-Hg-Mg-O, expected MgCr2(HgO6)2 to be MgCr2(HgO4)2" +mp-1233221,MgCr4Hg4(H2O9)2,-6.0289543903,-1.3825514106,0.0748222081,0.0748222081,GGA+U,P1,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O,31.0,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O +mp-1233396,MgCr4Hg4(H2O9)2,-6.0157808181,-1.3693778383,0.0879957803,0.0879957803,GGA+U,P1,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O,31.0,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O +mp-1234343,MgCr4Hg4(H2O9)2,-6.0040659226,-1.3576629428,0.0997106758,0.0997106758,GGA+U,P1,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O,31.0,A4B4C4DE18_aP31_1_4a_4a_4a_a_18a:Cr-H-Hg-Mg-O +mp-1234676,MgCr4Hg4(H2O9)2,-5.9879203223,-1.3415173425,0.1158562761,0.1158562761,GGA+U,P-1,A4B4C4DE18_aP31_2_2i_2i_2i_a_9i:Cr-H-Hg-Mg-O,31.0,"Invalid WP multiplicities - A4B4C4DE18_aP31_2_4i_4i_4i_a_17i:Cr-H-Hg-Mg-O, expected MgCr8Hg8(H4O17)2 to be MgCr4Hg4(H2O9)2" +mp-2216232,MgCr4Hg4(H2O9)2,-6.0152286881,-1.3688257083,0.0885479103,0.0885479103,GGA+U,C2,A4B4C4DE18_mC62_5_2c_2c_2c_a_ab8c:Cr-H-Hg-Mg-O,31.0,A4B4C4DE18_mC62_5_2c_2c_2c_a_ab8c:Cr-H-Hg-Mg-O +mp-1522945,BaPrInWO6,-7.8590261105,-2.6500434182,0.0983891195,0.0983891195,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ba-In-O-Pr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ba-In-O-Pr-W, expected BaPrIn2WO12 to be BaPrInWO6" +mp-1522971,BaPrInWO6,-7.859878442,-2.6508957498,0.097536788,0.097536788,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-Pr-W +mp-1203636,BaPr2In2O7,-7.1804034302,-2.8794888561,0.0026195886,0.0026195886,GGA,P4_2/mnm,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-In-O-Pr,48.0,AB2C7D2_tP48_136_f_j_2eghj_j:Ba-In-O-Pr +mp-1147752,KLa(CuO2)2,-6.2443113712,-1.9903645916,0.0448809744,0.0448809744,GGA,P4/mmm,A2BCD4_tP8_123_h_a_b_i:Cu-K-La-O,8.0,A2BCD4_tP8_123_h_a_b_i:Cu-K-La-O +mp-1223525,KLa7(CuO4)4,-7.4626701175,-2.7767310196,0.0763895506,0.0763895506,GGA,I4mm,A4BC7D16_tI56_107_2ab_a_3a2b_4a2b2c:Cu-K-La-O,28.0,A4BC7D16_tI56_107_2ab_a_3a2b_4a2b2c:Cu-K-La-O +mp-1516212,NaCaZrWO6,-8.256086981,-2.8046781509,0.1443354274,0.1443354274,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-W-Zr +mp-1391883,Ca(CrS2)4,-6.7812580354000005,-1.1113050588,0.0486586219,0.0486586219,GGA,R-3m,AB4C8_hR39_166_b_ad_ch:Ca-Cr-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_b_ad_c2h:Ca-Cr-S, expected Ca(Cr2S7)2 to be Ca(CrS2)4" +mp-1393946,Ca(CrS2)4,-6.8290192762,-1.1590662996,0.0008973812,0.0008973812,GGA,R-3m,AB4C8_hR39_166_a_bd_ch:Ca-Cr-S,13.0,"Invalid WP multiplicities - AB4C8_hR39_166_a_bd_c2h:Ca-Cr-S, expected Ca(Cr2S7)2 to be Ca(CrS2)4" +mp-1048627,Sr3CaCr2S2O5,-7.1003827408,-2.5321890123,0.1505639819,0.1505639819,GGA+U,I-4m2,AB2C5D2E3_tI26_119_c_e_a2f_e_be:Ca-Cr-O-S-Sr,13.0,"Invalid WP multiplicities - AB2C5D2E3_tI26_119_c_e_a3f_e_be:Ca-Cr-O-S-Sr, expected Sr3CaCr2S2O7 to be Sr3CaCr2S2O5" +mp-1045351,Ca(CrS2)2,-6.5628499021,-1.1546364325,0.24102017,0.24102017,GGA,Imma,AB2C4_oI28_74_a_ce_hi:Ca-Cr-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_ce_3h3i:Ca-Cr-S, expected Ca(CrS6)2 to be Ca(CrS2)2" +mp-1045417,Ca(CrS2)2,-6.6907280914000005,-1.2825146218,0.1131419807,0.1131419807,GGA,Imma,AB2C4_oI28_74_a_bc_hi:Ca-Cr-S,14.0,"Invalid WP multiplicities - AB2C4_oI28_74_a_2b2c_4h3i:Ca-Cr-S, expected Ca(Cr2S7)2 to be Ca(CrS2)2" +mp-1384628,Ca(CrS2)2,-6.7020547479,-1.2938412782,0.1018153243,0.1018153243,GGA,I4_1/amd,AB2C4_tI28_141_a_d_h:Ca-Cr-S,14.0,AB2C4_tI28_141_a_d_h:Ca-Cr-S +mp-1395193,Ca(CrS2)2,-6.7035918521,-1.2953783825,0.10027822,0.10027822,GGA,Fd-3m,AB2C4_cF56_227_a_d_e:Ca-Cr-S,14.0,AB2C4_cF56_227_a_d_e:Ca-Cr-S +mp-1048622,Sr4CaCr2(SO3)2,-7.0471037563,-2.6455903807,0.0898258133,0.0898258133,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Cr-O-S-Sr,30.0,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Cr-O-S-Sr +mp-2217323,Sr2MgCuWO6,-7.1494344936,-2.4479130278,0.2698380482,0.2698380482,GGA+U,P1,ABC6D2E_aP11_1_a_a_6a_2a_a:Cu-Mg-O-Sr-W,11.0,ABC6D2E_aP11_1_a_a_6a_2a_a:Cu-Mg-O-Sr-W +mp-2217957,Sr2MgCuWO6,-7.2049644645,-2.5034429987,0.2143080773,0.2143080773,GGA+U,C2/m,ABC6D2E_mC22_12_b_c_ij_h_a:Cu-Mg-O-Sr-W,11.0,ABC6D2E_aP11_2_c_a_3i_i_d:Cu-Mg-O-Sr-W +mp-1211075,Na3Dy(PO4)2,-7.1646806379,-2.9522179647,0.0,-0.0060167414,GGA,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:Dy-Na-O-P,112.0,AB3C8D2_oP112_29_2a_6a_16a_4a:Dy-Na-O-P +mp-555687,Na2DyMoPO8,-7.6278852744,-2.7752468334,0.0039307002,0.0039307002,GGA+U,Ibca,ABC2D8E_oI104_73_c_d_f_4f_c:Dy-Mo-Na-O-P,52.0,"Invalid WP multiplicities - ABC2D8E_oI104_73_c_d_f_29f_c:Dy-Mo-Na-O-P, expected Na2DyMoPO58 to be Na2DyMoPO8" +mp-694947,Sr5La3Mn8(O2F)8,-7.7494953848,-2.9747338338,0.2072747819,0.2072747819,GGA+U,P1,A8B3C8D16E5_aP40_1_8a_3a_8a_16a_5a:F-La-Mn-O-Sr,40.0,A8B3C8D16E5_aP40_1_8a_3a_8a_16a_5a:F-La-Mn-O-Sr +mp-1218175,SrLaMnO4F,-7.7599296641,-3.0742109562,0.1776070028,0.1776070028,GGA+U,P4/nmm,ABCD4E_tP16_129_a_c_c_2cf_c:F-La-Mn-O-Sr,32.0,ABCD4E_tP16_129_a_c_c_2cf_c:F-La-Mn-O-Sr +mp-698712,Sr5La3Mn8(O5F)4,-7.9264794638,-2.8481969384,0.1390574888,0.1390574888,GGA+U,P1,A4B3C8D20E5_aP40_1_4a_3a_8a_20a_5a:F-La-Mn-O-Sr,40.0,A4B3C8D20E5_aP40_1_4a_3a_8a_20a_5a:F-La-Mn-O-Sr +mp-743681,Sr5La2Mn8(O3F)6,-7.6849697087,-2.7586908774000003,0.2039334624,0.2039334624,GGA+U,P1,A6B2C8D18E5_aP39_1_6a_2a_8a_18a_5a:F-La-Mn-O-Sr,39.0,A6B2C8D18E5_aP39_1_6a_2a_8a_18a_5a:F-La-Mn-O-Sr +mp-1173236,Sr3La2Mn6(O2F)6,-7.7280991621,-2.8749362427,0.2469948761,0.2469948761,GGA+U,P1,A6B2C6D12E3_aP58_1_12a_4a_12a_24a_6a:F-La-Mn-O-Sr,58.0,A6B2C6D12E3_aP58_1_12a_4a_12a_24a_6a:F-La-Mn-O-Sr +mp-556675,Rb2Li14Tb3O14,-5.7239984915,-2.3348248995,0.0425055664,0.0425055664,GGA,Immm,A14B14C2D3_oI66_71_hlo_e2lm_f_ai:Li-O-Rb-Tb,33.0,"Invalid WP multiplicities - A14B14C2D3_oI66_71_2h4l3o_2e7l4m_f_ai:Li-O-Rb-Tb, expected Rb2Li44Tb3O48 to be Rb2Li14Tb3O14" +mp-1235065,Rb3LiTbV2O8,-7.05494429,-2.5731967557,0.0738809498,0.0738809498,GGA+U,P1,AB8C3DE2_aP15_1_a_8a_3a_a_2a:Li-O-Rb-Tb-V,15.0,AB8C3DE2_aP15_1_a_8a_3a_a_2a:Li-O-Rb-Tb-V +mp-1236680,Rb3LiTbV2O8,-7.0071308967,-2.5253833624,0.1216943432,0.1216943432,GGA+U,P1,AB8C3DE2_aP15_1_a_8a_3a_a_2a:Li-O-Rb-Tb-V,15.0,"Invalid WP multiplicities - AB8C3DE2_mC30_8_a_4a4b_3a_a_2a:Li-O-Rb-Tb-V, expected Rb3LiTbV2O12 to be Rb3LiTbV2O8" +mp-1235041,Rb3LiTbV2O8,-7.0277355993,-2.5459880651,0.1010896405,0.1010896405,GGA+U,C2/m,AB8C3DE2_mC30_12_b_2ij_ci_a_i:Li-O-Rb-Tb-V,15.0,AB8C3DE2_mC30_12_a_2ij_ci_b_i:Li-O-Rb-Tb-V +mp-1235340,Rb3LiTbV2O8,-6.984137872,-2.5023903377,0.1446873678,0.1446873678,GGA+U,P3m1,AB8C3DE2_hP15_156_a_bc2d_abc_a_bc:Li-O-Rb-Tb-V,15.0,"Invalid WP multiplicities - AB8C3DE2_hP15_156_a_bc6d_abc_a_bc:Li-O-Rb-Tb-V, expected Rb3LiTbV2O20 to be Rb3LiTbV2O8" +mp-1236786,Rb3LiTbV2O8,-6.9552694367,-2.4735219024,0.1735558032,0.1735558032,GGA+U,P3m1,AB8C3DE2_hP15_156_a_ab2d_abc_c_ab:Li-O-Rb-Tb-V,15.0,"Invalid WP multiplicities - AB8C3DE2_hP15_156_a_ab6d_abc_c_ab:Li-O-Rb-Tb-V, expected Rb3LiTbV2O20 to be Rb3LiTbV2O8" +mp-1209304,Rb3TbV2O8,-7.3802650814,-2.7147443566,0.0,-0.0277073152,GGA+U,P-3m1,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Tb-V,14.0,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Tb-V +mp-1523217,NaCeV4O12,-8.2178058439,-2.4982778848,0.1322793758,0.1322793758,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Ce-Na-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Ce-Na-O-V, expected NaCeV4O18 to be NaCeV4O12" +mp-676653,Lu4Hf3O12,-9.7389161497,-4.0907249021,0.0,-0.0152327792,GGA,P-1,A3B4C12_aP38_2_3i_4i_12i:Hf-Lu-O,38.0,"Invalid WP multiplicities - A3B4C12_aP38_2_5i_8i_24i:Hf-Lu-O, expected Lu8Hf5O24 to be Lu4Hf3O12" +mp-1211454,KLu(MoO4)2,-8.113652825,-2.5389728769,0.029437355,0.0209129481,GGA+U,C2/c,ABC2D8_mC48_15_e_e_f_4f:K-Lu-Mo-O,24.0,ABC2D8_mC48_15_e_e_f_4f:K-Lu-Mo-O +mp-1211734,KLu(MoO4)2,-8.1267472485,-2.5520673005,0.0163429315,0.0078185246,GGA+U,Pbcn,ABC2D8_oP48_60_c_c_d_4d:K-Lu-Mo-O,48.0,ABC2D8_oP48_60_c_c_d_4d:K-Lu-Mo-O +mp-1211421,KLu(MoO4)2,-8.14309018,-2.5684102319,0.0,-0.0085244069,GGA+U,P-3m1,ABC2D8_hP12_164_a_b_d_di:K-Lu-Mo-O,12.0,ABC2D8_hP12_164_a_b_d_di:K-Lu-Mo-O +mp-1224538,K5LuHf(MoO4)6,-7.9420125057,-2.4332405053,0.0043527079,0.0043527079,GGA+U,R-3c,AB5CD6E24_hR222_167_b_ce_a_f_4f:Hf-K-Lu-Mo-O,74.0,AB5CD6E24_hR222_167_b_ce_a_f_4f:Hf-K-Lu-Mo-O +mp-1194729,RbAlCu(PO4)2,-7.1735807862,-2.6177783803,0.0,-0.0009815099,GGA,P2_1/c,ABC8D2E_mP52_14_e_e_8e_2e_e:Al-Cu-O-P-Rb,52.0,ABC8D2E_mP52_14_e_e_8e_2e_e:Al-Cu-O-P-Rb +mp-1046077,Sr2YCr2GaO7,-7.9086971935,-2.7697379657,0.0737606094,0.0737606094,GGA+U,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cr-Ga-O-Sr-Y,26.0,"Invalid WP multiplicities - A2BC7D2E_oI52_46_c_b_2b7c_c_a:Cr-Ga-O-Sr-Y, expected Sr2YCr2GaO16 to be Sr2YCr2GaO7" +mp-1207967,Y3Cr2(GaO4)3,-8.3572685036,-2.9997654595,0.0,-0.0271454118,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_d_h_c:Cr-Ga-O-Y,80.0,A2B3C12D3_cI160_230_a_d_h_c:Cr-Ga-O-Y +mp-1203916,Li2Fe2C4Cl2O13,-6.5045427078,-1.0403437213,0.6753521393,0.6753521393,GGA+U,Fdd2,A4B2C2D2E13_oF184_43_2b_b_b_b_a6b:C-Cl-Fe-Li-O,46.0,A4B2C2D2E13_oF184_43_2b_b_b_b_a6b:C-Cl-Fe-Li-O +mp-1205261,Li4FeC6ClO21,-6.3338296952,-0.9639295368,0.6916899049,0.6916899049,GGA+U,Ama2,A6BCD4E21_oC264_40_6c_c_c_a3b2c_6b18c:C-Cl-Fe-Li-O,132.0,"Invalid WP multiplicities - A6BCD4E21_oC264_40_24c_c_c_2a6b3c_12b72c:C-Cl-Fe-Li-O, expected Li7FeC24ClO78 to be Li4FeC6ClO21" +mp-1182219,Li4FeC6ClO21,-6.225298063,-0.8553979046,0.8002215371,0.8002215371,GGA+U,P-6c2,A6BCD4E21_hP132_188_2l_g_h_ijk_2k6l:C-Cl-Fe-Li-O,132.0,A6BCD4E21_hP132_188_2l_g_h_ijk_2k6l:C-Cl-Fe-Li-O +mp-1205940,HoMgAg,-3.2770342156,-0.2719525744,0.0,-0.0333174022,GGA,P-62m,ABC_hP9_189_ad_f_g:Ag-Ho-Mg,9.0,ABC_hP9_189_ad_f_g:Ag-Ho-Mg +mp-1184818,HoMgAg2,-3.27217329,-0.3102230583,0.0,-0.01460166,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Ho-Mg,4.0,A2BC_cF16_225_c_a_b:Ag-Ho-Mg +mp-1233179,Ho2MgAg2(WO4)4,-8.2592078836,-2.3628178797,0.150732863,0.150732863,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W,25.0,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W +mp-1233349,Ho2MgAg2(WO4)4,-8.2582472996,-2.3618572957,0.151693447,0.151693447,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W,25.0,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W +mp-1233371,Ho2MgAg2(WO4)4,-8.2601272556,-2.3637372517,0.149813491,0.149813491,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W,25.0,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W +mp-1233593,Ho2MgAg2(WO4)4,-8.2396706224,-2.3432806185,0.1702701242,0.1702701242,GGA+U,P1,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W,25.0,A2B2CD16E4_aP25_1_2a_2a_a_16a_4a:Ag-Ho-Mg-O-W +mp-1234092,Ho2MgAg2(WO4)4,-8.1944260536,-2.2980360497,0.215514693,0.215514693,GGA+U,Cm,A2B2CD16E4_mC50_8_2a_b_a_4a6b_2ab:Ag-Ho-Mg-O-W,25.0,"Invalid WP multiplicities - A2B2CD16E4_mC50_8_2a_b_a_4a9b_2ab:Ag-Ho-Mg-O-W, expected Ho2MgAg2(W2O11)2 to be Ho2MgAg2(WO4)4" +mp-1234725,Ho2MgAg2(WO4)4,-8.238019836,-2.3416298321,0.1719209106,0.1719209106,GGA+U,C2/m,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Ho-Mg-O-W,25.0,A2B2CD16E4_mC50_12_i_g_a_2i3j_hi:Ag-Ho-Mg-O-W +mp-774340,Ti3Co2Te(PO4)6,-7.9579275664,-2.617739743,0.0869502907,0.0869502907,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Co-O-P-Te-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Co-O-P-Te-Ti, expected Ti3Co2Te(PO11)6 to be Ti3Co2Te(PO4)6" +mp-1194993,Cs2LiNd(BO3)2,-7.1250775283,-2.8328449573,0.0,-0.0338505341,GGA,Pbcm,A2B2CDE6_oP48_57_cd_e_d_d_c3de:B-Cs-Li-Nd-O,48.0,A2B2CDE6_oP48_57_cd_e_d_d_c3de:B-Cs-Li-Nd-O +mp-1202471,Rb2Mo(CO4)2,-6.9849431917,-1.5359001971,0.4659955963,0.4659955963,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:C-Mo-O-Rb,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:C-Mo-O-Rb +mp-758618,Fe3Co2Sn(PO4)6,-7.6618028894,-2.2496746899,0.0557709492,0.0557709492,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-Sn, expected Fe3Co2Sn(PO10)6 to be Fe3Co2Sn(PO4)6" +mp-1096005,Ti2MnZn,-3.4575831175,3.0956026164,3.312692937,3.312692937,GGA,Immm,AB2C_oI8_71_a_e_b:Mn-Ti-Zn,4.0,AB2C_oI8_71_a_e_b:Mn-Ti-Zn +mp-1217104,Ti2MnZnO6,-8.4615578355,-2.8722703152,0.0161677996,0.0161677996,GGA+U,R3,AB6C2D_hR30_146_a_2b_2a_a:Mn-O-Ti-Zn,40.0,AB6C2D_hR30_146_a_2b_2a_a:Mn-O-Ti-Zn +mp-1044316,TiMnZn(PO4)3,-7.8585612553,-2.6409266456,0.0423849528,0.0423849528,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mn-O-P-Ti-Zn,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mn-O-P-Ti-Zn, expected TiMnZn(PO18)3 to be TiMnZn(PO4)3" +mp-761239,Li4Mn3V2Fe3O16,-7.7103925479,-2.073012816,0.0738964764,0.0738964764,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Mn-O-V,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Mn-O-V +mp-1177360,Li4Mn3V3(FeO8)2,-7.8318486671,-2.172544476,0.0772101666,0.0772101666,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Mn-O-V,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Mn-O-V +mp-755976,Li2MnV4FeO12,-8.1470788205,-2.289790268,0.0640426909,0.0640426909,GGA+U,C2,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Fe-Li-Mn-O-V,20.0,"Invalid WP multiplicities - AB2CD12E4_mC40_5_a_ab_b_12c_4c:Fe-Li-Mn-O-V, expected Li2MnV8FeO24 to be Li2MnV4FeO12" +mp-1213518,CsSi2Mo3P6O25,-8.0843538092,-2.6673261988,0.0,-0.0104512505,GGA+U,P-31c,AB3C25D6E2_hP74_163_c_df_b4i_i_e:Cs-Mo-O-P-Si,74.0,AB3C25D6E2_hP74_163_c_df_b4i_i_e:Cs-Mo-O-P-Si +mp-583424,Cs5CeCu2(NO2)12,-6.4700180511,-1.0753139028,0.2056368902,0.2056368902,GGA,Pn-3,AB5C2D12E24_cP88_201_a_bd_c_h_2h:Ce-Cs-Cu-N-O,88.0,"Invalid WP multiplicities - AB5C2D12E24_cP88_201_a_3b3d_c_h_26h:Ce-Cs-Cu-N-O, expected Cs15CeCu2(NO26)12 to be Cs5CeCu2(NO2)12" +mp-1235183,Sr4LiY2(RuO6)2,-7.4637394471,-2.7252199937,0.0954322166,0.0954322166,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y +mp-1235258,Sr4LiY2(RuO6)2,-7.4796839033,-2.7411644499000003,0.0794877604,0.0794877604,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y +mp-1235989,Sr4LiY2(RuO6)2,-7.4727012795,-2.7341818261,0.0864703842,0.0864703842,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Li-O-Ru-Sr-Y +mp-862673,LiY2Ru,-6.295229695,-0.2661627867,0.0,-0.0178403674,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Li-Ru-Y,4.0,ABC2_cF16_225_a_b_c:Li-Ru-Y +mp-561299,As2Pb4S6ICl,-4.4896014289,-0.7532137646,0.005918526,0.005918526,GGA,Pmn2_1,A2BCD4E6_oP28_31_2a_a_a_4a_2a2b:As-Cl-I-Pb-S,28.0,"Invalid WP multiplicities - A2BCD4E6_oP28_31_2a_a_a_8a_4a4b:As-Cl-I-Pb-S, expected As2Pb8S12ICl to be As2Pb4S6ICl" +mp-1214805,AsPb2S3I,-4.3974003432,-0.6878105581,0.0063826936,0.0063826936,GGA,Pnma,ABC2D3_oP28_62_c_c_2c_cd:As-I-Pb-S,28.0,ABC2D3_oP28_62_c_c_2c_cd:As-I-Pb-S +mp-1523298,KLaNbInO6,-7.63305205,-2.7750993411,0.1525235712,0.1525235712,GGA,F-43m,ABCDE6_cF40_216_a_c_d_b_f:In-K-La-Nb-O,10.0,ABCDE6_cF40_216_a_c_d_b_f:In-K-La-Nb-O +mp-721697,CsNa2H4Cl3O2,-4.4142129208,-1.7016842090000002,0.0183733479,0.0183733479,GGA,P1,A3BC4D2E2_aP24_1_6a_2a_8a_4a_4a:Cl-Cs-H-Na-O,24.0,A3BC4D2E2_mC48_15_ef_a_2f_ce_f:Cl-Cs-H-Na-O +mp-1246337,CoReN2,-8.8629165825,0.193542125,0.2976176683,0.2976176683,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Co-N-Re,8.0,AB2C_hP8_194_a_f_c:Co-N-Re +mp-1228049,BaCa3Si10(N2O)6,-8.0308723553,-2.0337777851,0.0078769025,0.0078769025,GGA,P1,AB3C12D6E10_aP32_1_a_3a_12a_6a_10a:Ba-Ca-N-O-Si,32.0,AB3C12D6E10_aP32_1_a_3a_12a_6a_10a:Ba-Ca-N-O-Si +mp-556884,CaSi2(NO)2,-8.0341993917,-2.4023989327,0.0,-0.013923309,GGA,P2_1,AB2C2D2_mP84_4_6a_12a_12a_12a:Ca-N-O-Si,84.0,"Invalid WP multiplicities - AB2C2D2_mP84_4_11a_21a_23a_24a:Ca-N-O-Si, expected Ca11Si24N21O23 to be CaSi2(NO)2" +mp-1019520,Ba3Ca2(SiN3)2,-6.6003135869000005,-1.1666420338,0.0,-0.0268580442,GGA,C2/c,A3B2C6D2_mC52_15_ef_f_3f_f:Ba-Ca-N-Si,26.0,A3B2C6D2_mC52_15_ef_f_3f_f:Ba-Ca-N-Si +mp-1518830,KBaTbBiO6,-6.527437374,-2.4090012355,0.0452027293,0.0452027293,GGA,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-K-O-Tb,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-K-O-Tb, expected K2BaTbBiO12 to be KBaTbBiO6" +mp-1518659,KBaTbBiO6,-6.5242645370000005,-2.4058283985,0.0483755663,0.0483755663,GGA,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-Tb,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-Tb +mp-23146,TlZnSClO4,-5.4477286991,-1.773462683,0.0,-0.0443877944,GGA,P2_1/c,AB4CDE_mP32_14_e_4e_e_e_e:Cl-O-S-Tl-Zn,32.0,"Invalid WP multiplicities - AB4CDE_mP32_14_e_7e_e_e_e:Cl-O-S-Tl-Zn, expected TlZnSClO7 to be TlZnSClO4" +mp-6092,TbNi2B2C,-6.9755920367,-0.5119106210000001,0.0,-0.0393615193,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Tb,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Tb +mp-541883,Tb3Ni13B2,-6.1162481122,-0.4271559632,0.0103638272,0.0103638272,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Tb,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Tb +mp-1197368,Tb3Ni19B10,-6.3820982375,-0.4283603335,0.0111419903,0.0111419903,GGA,C2/m,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Tb,32.0,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Tb +mp-1102097,Tb2(NiB2)3,-6.6203398864,-0.5580223532,0.00985271,0.00985271,GGA,Cmmm,A6B3C2_oC22_65_gp_ah_j:B-Ni-Tb,11.0,A6B3C2_oC22_65_gp_ah_j:B-Ni-Tb +mp-1191556,Tb3Ni7B2,-6.1384110396,-0.4948411561,0.0,-0.0041711892,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Ni-Tb,24.0,A2B7C3_hP24_194_bc_ak_df:B-Ni-Tb +mp-10124,Tb(Ni2B)6,-6.3990699647,-0.3952617076,0.0,-0.0292849218,GGA,Cmc2_1,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Tb,38.0,"Invalid WP multiplicities - A6B12C_oC76_36_2a2b_4a7b_a:B-Ni-Tb, expected Tb(Ni3B)6 to be Tb(Ni2B)6" +mp-1106328,Tb(Ni2B)6,-6.3934846142,-0.3896763571,0.0055853505,-0.0236995713,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Ni-Tb,19.0,A6B12C_hR57_166_h_fh_b:B-Ni-Tb +mp-972467,TbNiB4,-6.7685164508,-0.5798381403,0.0,-0.0285876384,GGA,I4/mmm,A4BC_tI48_139_lm_i_de:B-Ni-Tb,24.0,A4BC_tI48_139_lm_i_de:B-Ni-Tb +mp-1217626,TbEr4Ni10(B2C)5,-6.9763814883,-0.5215863780000001,0.0,-0.0021633717,GGA,C2/m,A10B5C4D10E_mC60_12_5i_a2i_2i_5i_c:B-C-Er-Ni-Tb,,"Invalid WP multiplicities - A10B5C4D10E_mC60_12_10i_a4i_3i_10i_c:B-C-Er-Ni-Tb, expected TbEr6Ni20B20C9 to be TbEr4Ni10(B2C)5" +mp-1208523,Tb2NiB10,-6.8144241819,-0.5188252136,0.0,-0.0162981485,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Ni-Tb,26.0,A10BC2_oP26_55_3gi_a_h:B-Ni-Tb +mp-1191040,Tb4Ni13C4,-6.5595365371,-0.3407792414,0.0,-0.0167085219,GGA,Cmmm,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Tb,21.0,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Tb +mp-30333,Tb(NiB)2,-6.464203971,-0.5535193707,0.0,-0.0191397383,GGA,C2/c,A2B2C_mC20_15_f_f_e:B-Ni-Tb,10.0,A2B2C_mC20_15_f_f_e:B-Ni-Tb +mp-1202495,Tb2Ni22C3,-6.2065412455,-0.1281065922,0.0162395433,0.0162395433,GGA,Cmce,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Tb,108.0,A3B22C2_oC216_64_fg_ab5f8g_ef:C-Ni-Tb +mp-1199398,Tb2(Ni5B3)3,-6.4131985055000005,-0.4099174156,0.0170338407,0.0170338407,GGA,Cmce,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Tb,104.0,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Tb +mp-1079626,TbNiBC,-7.0862918288,-0.5056518179,0.0,-0.0428676434,GGA,P4/nmm,ABCD_tP8_129_c_c_a_c:B-C-Ni-Tb,8.0,ABCD_tP8_129_c_c_a_c:B-C-Ni-Tb +mp-12964,TbNi4B,-6.2329410483,-0.4938902832,0.0,-0.0467322383,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Tb,12.0,AB4C_hP12_191_c_di_ab:B-Ni-Tb +mp-1202802,Tb4NiB13,-6.6292110669,-0.4542280613,0.1310597917,0.1310597917,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Ni-Tb,36.0,A13BC4_tP36_128_agi_b_h:B-Ni-Tb +mp-1201581,Tb2(Ni2B)5,-6.370000661,-0.4601737284,0.002208977,0.002208977,GGA,Pbca,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Tb,136.0,A5B10C2_oP136_61_5c_10c_2c:B-Ni-Tb +mp-3061,TbNiC2,-7.5484415475,-0.3304831063,0.0,-0.0728041017,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Tb,4.0,A2BC_oC8_38_d_a_b:C-Ni-Tb +mp-651724,Fe2Te2Ru2(CO)11,-7.7807643323,-0.719894492,0.460099492,0.460099492,GGA+U,Pccn,A11B2C11D2E2_oP112_56_c5e_e_c5e_e_e:C-Fe-O-Ru-Te,112.0,"Invalid WP multiplicities - A11B2C11D2E2_oP112_56_3c35e_e_4c35e_e_e:C-Fe-O-Ru-Te, expected Fe2Te2Ru2C73O74 to be Fe2Te2Ru2(CO)11" +mp-651231,Te2Ru4(CO)11,-8.0700199561,-0.9516943065,0.1578498489,0.1578498489,GGA,Pccn,A11B11C4D2_oP112_56_c5e_c5e_2e_e:C-O-Ru-Te,112.0,"Invalid WP multiplicities - A11B11C4D2_oP112_56_3c34e_4c34e_13e_e:C-O-Ru-Te, expected Te2Ru26C71O72 to be Te2Ru4(CO)11" +mp-561682,Cs(MoS)3,-7.5836685393,-1.0348539246,0.0,-0.1320103069,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cs-Mo-S,14.0,AB3C3_hP14_176_c_h_h:Cs-Mo-S +mp-554708,Cs2Mo15S19,-7.7699863601,-1.0180945861,0.0351911686,0.0351911686,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:Cs-Mo-S,72.0,"Invalid WP multiplicities - A2B15C19_hR216_167_c_6e16f_6c6e18f:Cs-Mo-S, expected Cs(Mo19S23)3 to be Cs2Mo15S19" +mp-1226696,Cs(MoS)9,-8.0344868711,-0.8905762308,0.0598436092,0.0598436092,GGA,P6_3/m,AB9C9_hP38_176_c_hi_hi:Cs-Mo-S,38.0,"Invalid WP multiplicities - AB9C9_hP38_176_c_6h5i_6h5i:Cs-Mo-S, expected Cs(MoS)48 to be Cs(MoS)9" +mp-1194448,Cs2MoS3O,-5.589312675,-1.3046707941,0.2058591383,0.2058591383,GGA+U,Pnma,A2BCD3_oP28_62_2c_c_c_cd:Cs-Mo-O-S,28.0,A2BCD3_oP28_62_2c_c_c_cd:Cs-Mo-O-S +mp-1104384,Cs2Mo(SO)2,-6.0126685814,-1.6122782942,0.1308216859,0.1308216859,GGA+U,C2/c,A2BC2D2_mC28_15_f_e_f_f:Cs-Mo-O-S,14.0,A2BC2D2_mC28_15_f_e_f_f:Cs-Mo-O-S +mp-1193654,Cs2Mo(SO)2,-6.0130913271,-1.6127010399,0.1303989402,0.1303989402,GGA+U,Pbcn,A2BC2D2_oP28_60_d_c_d_d:Cs-Mo-O-S,28.0,A2BC2D2_oP28_60_d_c_d_d:Cs-Mo-O-S +mp-560635,Cs2MoS4,-5.4468533593,-1.2779598848,0.0,-0.0860814336,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:Cs-Mo-S,28.0,"Invalid WP multiplicities - A2BC4_oP28_62_6c_c_5c5d:Cs-Mo-S, expected Cs6MoS15 to be Cs2MoS4" +mp-699535,MoSCl7O,-4.3401003567,-1.0532458259,0.1637974173,0.1637974173,GGA+U,P2_1/c,A7BCD_mP40_14_7e_e_e_e:Cl-Mo-O-S,40.0,"Invalid WP multiplicities - A7BCD_mP40_14_23e_e_e_e:Cl-Mo-O-S, expected MoSCl23O to be MoSCl7O" +mp-1204852,CsMoS(ClO)2,-5.598846613,-1.3891390285,0.4516478385,0.4516478385,GGA+U,P2_1/c,A2BCD2E_mP56_14_4e_2e_2e_4e_2e:Cl-Cs-Mo-O-S,56.0,A2BCD2E_mP56_14_4e_2e_2e_4e_2e:Cl-Cs-Mo-O-S +mp-1211129,LiP4(RuO7)2,-7.5616285848,-2.25855335,0.0137589771,0.0137589771,GGA,P-1,AB14C4D2_aP21_2_a_7i_2i_be:Li-O-P-Ru,21.0,AB14C4D2_aP21_2_a_7i_2i_be:Li-O-P-Ru +mp-1232997,LiCuP4(RuO7)2,-7.367147225,-2.1187932886,0.06189837,0.06189837,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru +mp-1235071,LiCuP4(RuO7)2,-7.3725696241,-2.1242156877,0.0564759709,0.0564759709,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru +mp-1235836,LiCuP4(RuO7)2,-7.3681050523,-2.1197511159,0.0609405427,0.0609405427,GGA,P1,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru,22.0,ABC14D4E2_aP22_1_a_a_14a_4a_2a:Cu-Li-O-P-Ru +mp-1096601,LiPRu2,-3.985791475,2.4819661383,2.9189558054,2.9189558054,GGA,Immm,ABC2_oI8_71_a_b_e:Li-P-Ru,4.0,ABC2_oI8_71_a_b_e:Li-P-Ru +mp-1522449,KSmTi4O12,-8.2852693644,-2.9090906042,0.1868750733,0.1868750733,GGA,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Sm-Ti, expected KSmTi4O18 to be KSmTi4O12" +mp-1521521,KSmTiSnO6,-7.572162754,-2.8307446319,0.1975904813,0.1975904813,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sm-Sn-Ti,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sm-Sn-Ti +mp-1211326,KSmTiO4,-8.1571454711,-3.369826622,0.0020261048,0.0020261048,GGA,Pbcm,AB4CD_oP28_57_d_2c2d_d_d:K-O-Sm-Ti,28.0,AB4CD_oP28_57_d_2c2d_d_d:K-O-Sm-Ti +mp-1218838,Sr2FeMoNO5,-7.745534843,-2.1690751722,0.1091238605,0.1091238605,GGA+U,Cm,ABCD5E2_mC20_8_a_a_a_3ab_b:Fe-Mo-N-O-Sr,10.0,ABCD5E2_mC20_8_a_a_a_3ab_b:Fe-Mo-N-O-Sr +mp-1096697,YAlCu2,-2.58921567,2.0133994008,2.3780170196,2.3780170196,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Cu-Y,4.0,AB2C_oI8_71_a_e_b:Al-Cu-Y +mp-1216017,YAl7Cu5,-4.4357754115,-0.3448880828,0.0,-0.0084528688,GGA,Imm2,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-Y,13.0,A7B5C_oI26_44_2ab2c_be_a:Al-Cu-Y +mp-11029,Y(Al2Cu)4,-4.3751138923,-0.3114289359,0.0,-0.0085726154,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Cu-Y,13.0,A8B4C_tI26_139_ij_f_a:Al-Cu-Y +mp-643741,Sr2YAlCu2O7,-7.0384363708,-2.6987234347,0.0286987295,0.0286987295,GGA,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Cu-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Al-Cu-O-Sr-Y +mp-1216210,Y(AlCu)6,-4.4795311931,-0.3614414921,0.0,-0.0406552062,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Cu-Y,13.0,A6B6C_oI26_71_efg_hk_a:Al-Cu-Y +mp-1097203,Y2AlCu,-2.81423724,2.3801939417,2.7342659068,2.7342659068,GGA,Immm,ABC2_oI8_71_a_b_e:Al-Cu-Y,4.0,ABC2_oI8_71_a_b_e:Al-Cu-Y +mp-1079361,YAlCu,-5.2275331289,-0.4571152578,0.0,-0.0579159017,GGA,P-62m,ABC_hP9_189_f_bc_g:Al-Cu-Y,9.0,ABC_hP9_189_f_bc_g:Al-Cu-Y +mp-1206090,YAlCu,-4.6504636778,0.1199541933,0.5770694511000001,0.5191535494,GGA,P-62m,ABC_hP9_189_f_g_bc:Al-Cu-Y,9.0,ABC_hP9_189_f_g_bc:Al-Cu-Y +mp-865990,Y3Al7Cu2,-4.9887911533,-0.5040530292000001,0.0,-0.031643331,GGA,R-3m,A7B2C3_hR36_166_ah_c_bc:Al-Cu-Y,12.0,"Invalid WP multiplicities - A7B2C3_hR36_166_a2h_c_bc:Al-Cu-Y, expected Y3Al13Cu2 to be Y3Al7Cu2" +mp-1516876,SrCaNbVO6,-8.31537372,-3.0593300489,0.0722780993,0.0722780993,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-V,10.0,ABC6DE_cF40_216_c_a_f_d_b:Ca-Nb-O-Sr-V +mp-1019714,CsCa10(PO4)7,-7.5750533711,-3.2847967921,0.0,-0.0075976615,GGA,R3c,A10BC28D7_hR276_161_a3b_a_a9b_a2b:Ca-Cs-O-P,92.0,A10BC28D7_hR276_161_a3b_a_a9b_a2b:Ca-Cs-O-P +mp-729483,CsFe3P3O14,-7.3653854421,-2.0416228003,0.1527908856,0.1527908856,GGA+U,C2/c,AB3C14D3_mC84_15_e_ef_7f_ef:Cs-Fe-O-P,42.0,AB3C14D3_mC84_15_e_ef_7f_ef:Cs-Fe-O-P +mp-1207125,Cs(FeP)2,-6.220519806,-0.4881098449,0.0,-0.0093714796,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Cs-Fe-P,5.0,AB2C2_tI10_139_a_d_e:Cs-Fe-P +mp-1198664,Cs3CaFe(P2O7)2,-7.2632671636,-2.7385419379,0.0,-0.0226832912,GGA+U,P2_12_12_1,AB3CD14E4_oP92_19_a_3a_a_14a_4a:Ca-Cs-Fe-O-P,92.0,AB3CD14E4_oP92_19_a_3a_a_14a_4a:Ca-Cs-Fe-O-P +mp-581532,Cs3Fe4(PO4)5,-7.515340222,-2.4351346371,0.0,-0.0123262527,GGA+U,Pccn,A3B4C20D5_oP128_56_ce_2e_10e_d2e:Cs-Fe-O-P,128.0,A3B4C20D5_oP128_56_ce_2e_10e_d2e:Cs-Fe-O-P +mp-19476,CsFe2P5O16,-7.6868507658,-2.5181434031,0.0,-0.0163067774,GGA+U,Pc,AB2C16D5_mP48_7_a_2a_16a_5a:Cs-Fe-O-P,48.0,AB2C16D5_mP48_7_a_2a_16a_5a:Cs-Fe-O-P +mp-20113,CsFeP2O7,-7.5109008823,-2.5273691028,0.0,-0.0252979081,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cs-Fe-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cs-Fe-O-P +mp-1201263,CsCa(PO3)3,-7.4515232454,-2.904301233,0.0,-0.0369334254,GGA,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Ca-Cs-O-P,56.0,ABC9D3_oP56_62_c_c_3c3d_cd:Ca-Cs-O-P +mp-1226202,Cs2CaP2O7,-6.99279328,-2.8886407286,0.0,-0.0194417365,GGA,Cm,AB2C7D2_mC24_8_a_2a_3a2b_2a:Ca-Cs-O-P,12.0,AB2C7D2_mC24_8_a_2a_3a2b_2a:Ca-Cs-O-P +mp-1236232,LiAs4(PO4)4,-6.9547137968,-2.1008887611,0.1340022135,0.1340022135,GGA,Pm,A4BC16D4_mP25_6_2a2b_a_4a4b4c_2a2b:As-Li-O-P,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_6_2a2b_a_4a4b8c_2a2b:As-Li-O-P, expected LiAs4(PO6)4 to be LiAs4(PO4)4" +mp-1222715,Li2Ti2AsPO10,-7.7476533778,-2.8008947659,0.0034305755,0.0034305755,GGA,Pmc2_1,AB2C10DE2_oP32_26_a_c_3a3b2c_b_ab:As-Li-O-P-Ti,32.0,"Invalid WP multiplicities - AB2C10DE2_oP32_26_a_c_3a3b3c_b_ab:As-Li-O-P-Ti, expected Li2Ti2AsPO12 to be Li2Ti2AsPO10" +mp-756583,Li4V5CuClO15,-7.3289884288,-2.2057847436,0.0605612206,0.0605612206,GGA+U,P4,ABC4D15E5_tP26_75_a_a_d_bc3d_bd:Cl-Cu-Li-O-V,26.0,"Invalid WP multiplicities - ABC4D15E5_tP26_75_a_a_d_b2c12d_b2d:Cl-Cu-Li-O-V, expected Li4V9CuClO53 to be Li4V5CuClO15" +mp-1233808,MgMn4Cu2(PO4)6,-7.6307881084,-2.2889746309,0.0942412969,0.0942412969,GGA+U,P1,A2BC4D24E6_aP37_1_2a_a_4a_24a_6a:Cu-Mg-Mn-O-P,37.0,"Invalid WP multiplicities - A2BC4D24E6_mC74_5_c_a_2c_22c_ab2c:Cu-Mg-Mn-O-P, expected MgMn4Cu2(P3O22)2 to be MgMn4Cu2(PO4)6" +mp-1234087,MgMn4Cu2(PO4)6,-7.6688364411,-2.3270229636,0.0561929642,0.0561929642,GGA+U,P1,A2BC4D24E6_aP37_1_2a_a_4a_24a_6a:Cu-Mg-Mn-O-P,37.0,A2BC4D24E6_aP37_1_2a_a_4a_24a_6a:Cu-Mg-Mn-O-P +mp-1221294,Na3Cr2(PO4)3,-7.5558236567,-2.612131513,0.0,-0.0049839043,GGA+U,C2/c,A2B3C12D3_mC80_15_f_cf_6f_ef:Cr-Na-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_cf_24f_2e3f:Cr-Na-O-P, expected Na3Cr2(PO6)8 to be Na3Cr2(PO4)3" +mp-1221035,Na7Cr4P9O32,-7.5463786796,-2.644770444,0.0,-0.0037796896,GGA+U,P2_1,A4B7C32D9_mP104_4_4a_7a_32a_9a:Cr-Na-O-P,104.0,"Invalid WP multiplicities - A4B7C32D9_mP104_4_5a_8a_40a_11a:Cr-Na-O-P, expected Na8Cr5P11O40 to be Na7Cr4P9O32" +mp-761050,Na7Cr4(PO4)6,-7.4068630211,-2.55149202,0.0371102319,0.0371102319,GGA+U,P2,A4B7C24D6_mP82_3_4e_7e_24e_abcd4e:Cr-Na-O-P,82.0,A4B7C24D6_mP82_3_4e_7e_24e_abcd4e:Cr-Na-O-P +mp-17142,NaCrP2O7,-7.783384039099999,-2.6534750613,0.0,-0.0200922635,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cr-Na-O-P +mp-1040460,NaCr2P2O9,-7.9488119682,-2.5219959934,0.0018520671,0.0018520671,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Cr-Na-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Cr-Na-O-P, expected NaCr2P2O11 to be NaCr2P2O9" +mp-8343,Na3CrP8O23,-7.4802463531,-2.6030782456,0.0,-0.0094098854,GGA+U,P4_132,AB3C23D8_cP140_213_a_d_cd3e_ce:Cr-Na-O-P,140.0,"Invalid WP multiplicities - AB3C23D8_cP140_213_a_d_c3d5e_c2e:Cr-Na-O-P, expected Na3CrP14O41 to be Na3CrP8O23" +mp-1199320,Na4Cr2P4O15,-7.2639183712,-2.4459288988,0.1795974148,0.1795974148,GGA+U,P2_1/c,A2B4C15D4_mP50_14_e_2e_a7e_2e:Cr-Na-O-P,50.0,A2B4C15D4_mP50_14_e_2e_a7e_2e:Cr-Na-O-P +mp-532715,Na7Cr3Co(PO4)6,-7.3465246774,-2.5532202538,0.0095086081,0.0095086081,GGA+U,P1,AB3C7D24E6_aP82_1_2a_6a_14a_48a_12a:Co-Cr-Na-O-P,82.0,AB3C7D24E6_aP82_1_2a_6a_14a_48a_12a:Co-Cr-Na-O-P +mp-1044527,PrMgV2O6,-8.338772596,-2.9158595748,0.088524402,0.088524402,GGA+U,Pc,AB6CD2_mP20_7_a_6a_a_2a:Mg-O-Pr-V,20.0,"Invalid WP multiplicities - AB6CD2_mP20_7_a_12a_a_4a:Mg-O-Pr-V, expected PrMgV4O12 to be PrMgV2O6" +mp-2231378,Pr2MgV4O12,-8.4743229184,-2.8502186882,0.1471430251,0.1471430251,GGA+U,P1,AB12C2D4_aP19_1_a_12a_2a_4a:Mg-O-Pr-V,19.0,AB12C2D4_aP19_1_a_12a_2a_4a:Mg-O-Pr-V +mp-2219431,Pr2MgV2O8,-8.3466861877,-3.0464236192,0.118250024,0.118250024,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Pr-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-Pr-V, expected Pr2MgV2O16 to be Pr2MgV2O8" +mp-568873,GaSi2As(H3C)8,-5.0190036076,-0.1914313991,0.0627771302,0.0627771302,GGA,P-1,AB8CD24E2_aP72_2_i_8i_i_24i_2i:As-C-Ga-H-Si,72.0,"Invalid WP multiplicities - AB8CD24E2_aP72_2_i_15i_i_47i_3i:As-C-Ga-H-Si, expected GaSi3AsH47C15 to be GaSi2As(H3C)8" +mp-605088,GaH19C8,-5.1706994155,-0.1235846006,0.092183216,0.092183216,GGA,R-3c,A8BC19_hR504_167_4f_e_e9f:C-Ga-H,168.0,"Invalid WP multiplicities - A8BC19_hR504_167_39f_e_6e101f:C-Ga-H, expected Ga(H8C3)26 to be GaH19C8" +mp-1221476,Na2AlCr(P2O7)2,-7.6386259145,-2.777238375,0.0012547081,0.0012547081,GGA+U,P2_1,ABC2D14E4_mP44_4_a_a_2a_14a_4a:Al-Cr-Na-O-P,44.0,ABC2D14E4_mP44_4_a_a_2a_14a_4a:Al-Cr-Na-O-P +mp-1221260,Na4AlCr3(P2O7)4,-7.710041712,-2.7143934534,0.0015906188,0.0015906188,GGA+U,P1,AB3C4D28E8_aP44_1_a_3a_4a_28a_8a:Al-Cr-Na-O-P,44.0,AB3C4D28E8_aP44_1_a_3a_4a_28a_8a:Al-Cr-Na-O-P +mp-1221255,Na4Al3Cr(P2O7)4,-7.5655988432,-2.8384720227,0.0025300712,0.0025300712,GGA+U,P1,A3BC4D28E8_aP44_1_3a_a_4a_28a_8a:Al-Cr-Na-O-P,44.0,A3BC4D28E8_aP44_1_3a_a_4a_28a_8a:Al-Cr-Na-O-P +mp-1048345,BaAlV4O7,-8.1980655104,-2.3036812005,0.3297239405,0.3297239405,GGA+U,P6_3mc,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-V,26.0,ABC7D4_hP26_186_b_b_a2c_ac:Al-Ba-O-V +mp-1048346,Ba2AlV3O7,-7.6965466554,-2.3533108939,0.4209323005,0.4209323005,GGA+U,Pmmm,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-V,13.0,AB2C7D3_oP13_47_f_k_aijl_cj:Al-Ba-O-V +mp-1046436,Ba2AlTlV2O7,-7.2152358023,-2.3890202657,0.382929735,0.382929735,GGA+U,Pm,AB2C7DE2_mP13_6_a_2a_3a4b_b_2b:Al-Ba-O-Tl-V,13.0,AB2C7DE2_mP13_6_a_2a_3a4b_b_2b:Al-Ba-O-Tl-V +mp-1265780,Ba2AlTlV2O7,-7.2530214154,-2.4268058788,0.345144122,0.345144122,GGA+U,Pm,AB2C7DE2_mP13_6_a_2a_3a4b_b_2b:Al-Ba-O-Tl-V,13.0,AB2C7DE2_mP13_6_a_2a_3a4b_b_2b:Al-Ba-O-Tl-V +mp-1048162,Ba2AlV3O8,-7.8827580557,-2.5678470836,0.3117751204,0.3117751204,GGA+U,Pmmm,AB2C8D3_oP14_47_h_l_ceijk_ai:Al-Ba-O-V,14.0,"Invalid WP multiplicities - AB2C8D3_oP14_47_h_l_ce2i2j2k_a2i:Al-Ba-O-V, expected Ba2AlV5O14 to be Ba2AlV3O8" +mp-1208411,Ti3TlSi2P6O25,-8.158611183,-2.9411304241,0.0,-0.000216083,GGA,P-31c,A25B6C2D3E_hP74_163_b4i_i_e_cf_d:O-P-Si-Ti-Tl,74.0,A25B6C2D3E_hP74_163_b4i_i_e_cf_d:O-P-Si-Ti-Tl +mp-1233522,Sr2MgTi6N2O11,-8.6003935918,-2.9895397404,0.2165987623,0.2165987623,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1234561,Sr2MgTi6N2O11,-8.6029681,-2.9921142486,0.2140242541,0.2140242541,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-2220651,Sr2MgTi6N2O11,-8.5838512236,-2.9729973723,0.2331411305,0.2331411305,GGA,P1,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_aP22_1_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1233097,Sr2MgTi6N2O11,-8.6110490686,-3.0001952173,0.2059432855,0.2059432855,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1233103,Sr2MgTi6N2O11,-8.6823158023,-3.0714619509,0.1346765518,0.1346765518,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1233185,Sr2MgTi6N2O11,-8.6559297959,-3.0450759445,0.1610625582,0.1610625582,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1233340,Sr2MgTi6N2O11,-8.6288367195,-3.0179828682,0.1881556345,0.1881556345,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-1234224,Sr2MgTi6N2O11,-8.6465924882,-3.0357386368,0.1703998659,0.1703998659,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-2220668,Sr2MgTi6N2O11,-8.6357247605,-3.0248709091,0.1812675936,0.1812675936,GGA,Cm,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti,22.0,AB2C11D2E6_mC44_8_a_2a_11a_2a_6a:Mg-N-O-Sr-Ti +mp-849752,Li4Cu3Sn(PO4)4,-6.6961190754,-2.2410079061,0.0866085179,0.0866085179,GGA,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Sn,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Sn +mp-1018757,LaZnGa,-3.6136415167,-0.5390259375,0.0002788983,0.0002788983,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Ga-La-Zn,6.0,ABC_hP6_194_c_a_d:Ga-La-Zn +mp-18129,La2ZnGa2S6O,-5.7614760229,-1.8486978748,0.0103966012,0.0103966012,GGA,P-42_1m,A2B2CD6E_tP24_113_e_e_c_ef_a:Ga-La-O-S-Zn,24.0,A2B2CD6E_tP24_113_e_e_c_ef_a:Ga-La-O-S-Zn +mp-973847,La2ZnGa,-3.9912763775,-0.4513129169,0.00244936,0.00244936,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ga-La-Zn,4.0,AB2C_cF16_225_a_c_b:Ga-La-Zn +mp-1096632,YZnPt2,-3.920078745,1.0470415958,1.95783971,1.95783971,GGA,Immm,A2BC_oI8_71_e_a_b:Pt-Y-Zn,4.0,A2BC_oI8_71_e_a_b:Pt-Y-Zn +mp-1093968,Y2ZnPt,-3.34499813,1.7209566592,2.5325023725,2.5325023725,GGA,Immm,AB2C_oI8_71_a_e_b:Pt-Y-Zn,4.0,AB2C_oI8_71_a_e_b:Pt-Y-Zn +mp-1187764,Y2ZnPt,-5.8546701175,-0.7887153283,0.022830385,0.022830385,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pt-Y-Zn,4.0,AB2C_cF16_225_a_c_b:Pt-Y-Zn +mp-1093800,YZn2Pt,-2.002473615,1.7617992983,2.4531649886,2.4531649886,GGA,Immm,ABC2_oI8_71_a_b_e:Pt-Y-Zn,4.0,ABC2_oI8_71_a_b_e:Pt-Y-Zn +mp-560146,Ba17Y16Zn8Pt4O57,-7.4053763098,-2.9699856187,0.0,-0.003033737,GGA,I4/m,A17B57C4D16E8_tI204_87_a4h_b4h5i_h_4h_2h:Ba-O-Pt-Y-Zn,102.0,"Invalid WP multiplicities - A17B57C4D16E8_tI204_87_a14h_b15h38i_h_15h_5h:Ba-O-Pt-Y-Zn, expected Ba57Y60Zn20Pt4O365 to be Ba17Y16Zn8Pt4O57" +mp-17241,Rb2LiFe(CN)6,-7.6073172831,-0.2491313627,0.1520046688,0.1520046688,GGA,P2_1/c,A6BCD6E2_mP32_14_3e_a_d_3e_e:C-Fe-Li-N-Rb,32.0,"Invalid WP multiplicities - A6BCD6E2_mP32_14_4e_a_b_4e_e:C-Fe-Li-N-Rb, expected Rb2LiFe(CN)8 to be Rb2LiFe(CN)6" +mp-1211661,KLiLu2(MoO4)4,-8.1344237731,-2.5264719951,0.0468402489,0.0468402489,GGA+U,C2/c,ABC2D4E16_mC96_15_e_e_f_2f_8f:K-Li-Lu-Mo-O,48.0,ABC2D4E16_mC96_15_e_e_f_2f_8f:K-Li-Lu-Mo-O +mp-1173529,Nd2TeMo6H38O43,-6.2681184614,-1.608288398,0.0192908735,0.0192908735,GGA+U,P1,A38B6C2D43E_aP90_1_38a_6a_2a_43a_a:H-Mo-Nd-O-Te,90.0,A38B6C2D43E_aP90_1_38a_6a_2a_43a_a:H-Mo-Nd-O-Te +mp-759866,TeH3CCl3,-4.123633605,-0.6116636674,0.0231965443,0.0231965443,GGA,P2_1/c,AB3C3D_mP32_14_e_3e_3e_e:C-Cl-H-Te,32.0,"Invalid WP multiplicities - AB3C3D_mP32_14_e_9e_9e_e:C-Cl-H-Te, expected TeH9CCl9 to be TeH3CCl3" +mp-1196941,AlTeH6C2Cl3,-4.6286543473,-0.6864867351,0.0651358742,0.0651358742,GGA,Pbcm,AB2C3D6E_oP52_57_d_e_de_3e_d:Al-C-Cl-H-Te,52.0,AB2C3D6E_oP52_57_d_e_de_3e_d:Al-C-Cl-H-Te +mp-1389439,Zn(CuN)2,-4.726082198,0.500147162,0.536449174,0.536449174,GGA,P-4m2,A2B2C_tP5_115_e_g_b:Cu-N-Zn,5.0,A2B2C_tP5_115_e_g_b:Cu-N-Zn +mp-730273,ZnCuC8N5,-6.463306576,1.594743347,1.6619643682,1.6619643682,GGA,F-43m,A8BC5D_cF60_216_2e_a_be_c:C-Cu-N-Zn,15.0,A8BC5D_cF60_216_2e_a_be_c:C-Cu-N-Zn +mp-1199635,CuC8(NCl2)2,-5.5372469787,1.2624641613,1.5633576368000002,1.5633576368000002,GGA,Pnma,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Cu-N,60.0,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Cu-N +mp-1179627,Zn(NCl2)2,-3.386993388,0.2311323405,0.8983751077000001,0.8983751077000001,GGA,Pc,A4B2C_mP112_7_32a_16a_8a:Cl-N-Zn,112.0,A4B2C_mP112_7_32a_16a_8a:Cl-N-Zn +mp-734382,Zn(NCl2)2,-3.398401627,0.2197241015,0.8869668687000001,0.8869668687000001,GGA,Pna2_1,A4B2C_oP84_33_12a_6a_3a:Cl-N-Zn,84.0,A4B2C_oP84_33_12a_6a_3a:Cl-N-Zn +mp-1178703,Zn(NCl2)2,-3.4892394946,0.1288862339,0.7961290011000001,0.7961290011000001,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-N-Zn,28.0,A4B2C_oP28_62_2cd_2c_c:Cl-N-Zn +mp-1105650,CuC2(NCl2)2,-4.5968051489,0.5836030894,1.0850922152,1.0850922152,GGA,P2_1/c,A2B4CD2_mP18_14_e_2e_a_e:C-Cl-Cu-N,18.0,A2B4CD2_mP18_14_e_2e_a_e:C-Cl-Cu-N +mp-1199426,ZnN3Cl5,-3.4597097406,0.4860582244,1.0050248211,1.0050248211,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Cl-N-Zn,36.0,A5B3C_oP36_62_3cd_cd_c:Cl-N-Zn +mp-1182566,Cu2C4NCl3,-4.9580866100000005,0.9414314115,1.3539958335,1.3539958335,GGA,Pnma,A4B3C2D_oP40_62_2cd_3c_d_c:C-Cl-Cu-N,40.0,A4B3C2D_oP40_62_2cd_3c_d_c:C-Cl-Cu-N +mp-1181910,Cu2C4NCl5,-4.9579051306,0.2664493306,0.7983114378,0.7983114378,GGA,P2_1/c,A4B5C2D_mP48_14_4e_5e_2e_e:C-Cl-Cu-N,48.0,A4B5C2D_mP48_14_4e_5e_2e_e:C-Cl-Cu-N +mp-1182542,Cu2C4NCl5,-5.2530006565,-0.0286461952,0.5032159119,0.5032159119,GGA,P2_1/c,A4B5C2D_mP48_14_4e_5e_2e_e:C-Cl-Cu-N,48.0,A4B5C2D_mP48_14_4e_5e_2e_e:C-Cl-Cu-N +mp-1199787,Cu2C3NCl5,-4.8199073518,0.0404188339,0.6206320417,0.6206320417,GGA,P2_1/c,A3B5C2D_mP44_14_3e_5e_2e_e:C-Cl-Cu-N,44.0,A3B5C2D_mP44_14_3e_5e_2e_e:C-Cl-Cu-N +mp-1178803,Zn2CuC2NCl6,-4.4714794363,-0.7628344562,0.2448178954,0.2448178954,GGA,I2_12_12_1,A2B6CDE2_oI48_24_d_ab2d_a_a_d:C-Cl-Cu-N-Zn,24.0,A2B6CDE2_oI48_24_d_ab2d_a_a_d:C-Cl-Cu-N-Zn +mp-1246864,Zn4CuN3,-4.1464510553,0.1220071803,0.1736304487,0.1736304487,GGA,P1,AB3C4_aP32_1_4a_12a_16a:Cu-N-Zn,32.0,AB3C4_aP32_1_4a_12a_16a:Cu-N-Zn +mp-1383152,Zn2CuN2,-4.527897841,0.130438907,0.1916576911,0.1916576911,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Cu-N-Zn,10.0,AB2C2_mC20_12_i_2i_2i:Cu-N-Zn +mp-1189171,Zn2NCl,-3.8883472844,-0.7122175831,0.0,-0.1084155619,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cl-N-Zn,16.0,ABC2_oP16_33_a_a_2a:Cl-N-Zn +mp-727060,ZnC4(NCl2)2,-5.2602559620000005,0.3980660443,0.982945319,0.982945319,GGA,P2_1/c,A4B4C2D_mP44_14_4e_4e_2e_e:C-Cl-N-Zn,44.0,A4B4C2D_mP44_14_4e_4e_2e_e:C-Cl-N-Zn +mp-1247402,Zn5CuN4,-4.222992215,0.151398227,0.198020735,0.198020735,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Cu-N-Zn,20.0,AB4C5_oP20_59_a_ef_bg:Cu-N-Zn +mp-731109,Zn2Cu2CNCl7,-3.8936729496,-0.7226869806,0.313239401,0.313239401,GGA,Pc,AB7C2DE2_mP26_7_a_7a_2a_a_2a:C-Cl-Cu-N-Zn,26.0,AB7C2DE2_mP26_7_a_7a_2a_a_2a:C-Cl-Cu-N-Zn +mp-1178699,ZnC2(N3Cl2)2,-5.3630405281,0.5700510708000001,1.0649489186,1.0649489186,GGA,P-1,A2B4C6D_aP26_2_2i_4i_6i_i:C-Cl-N-Zn,26.0,A2B4C6D_aP26_2_2i_4i_6i_i:C-Cl-N-Zn +mp-725670,Zn(NCl)2,-3.057924053,1.268037303,2.202177177,2.202177177,GGA,Imma,A2B2C_oI20_74_h_i_e:Cl-N-Zn,10.0,A2B2C_oI20_74_h_i_e:Cl-N-Zn +mp-1246450,ZnCuN,-4.26317017,0.3019782317,0.362481585,0.362481585,GGA,Amm2,ABC_oC6_38_a_a_b:Cu-N-Zn,3.0,ABC_oC6_38_a_a_b:Cu-N-Zn +mp-1204205,ZnC8(NCl2)2,-5.669849056,0.9405645467,1.3694760148,1.3694760148,GGA,Pnma,A8B4C2D_oP60_62_4c2d_2cd_2c_c:C-Cl-N-Zn,60.0,A8B4C2D_oP60_62_4c2d_2cd_2c_c:C-Cl-N-Zn +mp-1223743,Li2Zr4As3(PO8)3,-8.0247740618,-2.8318173935,0.0088123322,0.0088123322,GGA,Pc,A3B2C24D3E4_mP72_7_3a_2a_24a_3a_4a:As-Li-O-P-Zr,72.0,A3B2C24D3E4_mP72_7_3a_2a_24a_3a_4a:As-Li-O-P-Zr +mp-1222872,Li2Zr4As3(PO8)3,-8.01324072,-2.8202840517,0.020345674,0.020345674,GGA,R32,A3B2C24D3E4_hR108_155_d_c_4f_e_2c:As-Li-O-P-Zr,36.0,"Invalid WP multiplicities - A3B2C24D3E4_hR108_155_d_c_6f_e_3c:As-Li-O-P-Zr, expected Li2Zr6As3(PO12)3 to be Li2Zr4As3(PO8)3" +mp-1202818,LiZr2(AsO4)3,-7.6392086639,-2.5091006707,0.0,-0.0782642446,GGA,P2_1/c,A3BC12D2_mP72_14_3e_e_12e_2e:As-Li-O-Zr,72.0,A3BC12D2_mP72_14_3e_e_12e_2e:As-Li-O-Zr +mp-1195770,LiZr2(AsO4)3,-7.6250685181,-2.4949605249,0.0141401458,-0.0641240987,GGA,R-3c,A3BC12D2_hR108_167_e_b_2f_c:As-Li-O-Zr,36.0,A3BC12D2_hR108_167_e_b_2f_c:As-Li-O-Zr +mp-34355,Li31Zr2As13,-3.590368867,-0.615574315,0.1267475415,0.1267475415,GGA,R3m,A13B31C2_hR138_160_13a_31a_2a:As-Li-Zr,46.0,A13B31C2_hR138_160_13a_31a_2a:As-Li-Zr +mp-19431,LiYMo3O8,-8.5737552023,-2.3825356638,0.0602112146,0.0602112146,GGA+U,P3m1,AB3C8D_hP13_156_a_d_ab2d_c:Li-Mo-O-Y,13.0,AB3C8D_hP13_156_a_d_ab2d_c:Li-Mo-O-Y +mp-1236658,LiY5(MoO6)2,-8.9608142515,-3.1961720921,0.0793233337,0.0793233337,GGA+U,P1,AB2C12D5_aP20_1_a_2a_12a_5a:Li-Mo-O-Y,20.0,AB2C12D5_aP20_1_a_2a_12a_5a:Li-Mo-O-Y +mp-1235884,LiY5(MoO6)2,-8.9780504745,-3.2134083151,0.0620871107,0.0620871107,GGA+U,Cm,AB2C12D5_mC40_8_a_b_4a4b_5a:Li-Mo-O-Y,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_8_a_b_4a6b_5a:Li-Mo-O-Y, expected LiY5(MoO8)2 to be LiY5(MoO6)2" +mp-1235516,LiY5(MoO6)2,-8.996995522,-3.2323533626,0.0431420632,0.0431420632,GGA+U,C2/m,AB2C12D5_mC40_12_a_h_2i2j_b2i:Li-Mo-O-Y,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_12_a_h_2i3j_b2i:Li-Mo-O-Y, expected LiY5(MoO8)2 to be LiY5(MoO6)2" +mp-1228739,Ba2Li3Y3(MoO4)8,-8.2429520646,-2.5341318258000003,0.047419116,0.047419116,GGA+U,P1,A2B3C8D32E3_aP48_1_2a_3a_8a_32a_3a:Ba-Li-Mo-O-Y,48.0,A2B3C8D32E3_aP48_1_2a_3a_8a_32a_3a:Ba-Li-Mo-O-Y +mp-866198,LiY(MoO4)2,-8.2878858983,-2.4845355742,0.0723988632,0.0723988632,GGA+U,P-1,AB2C8D_aP24_2_i_2i_8i_i:Li-Mo-O-Y,24.0,AB2C8D_aP24_2_i_2i_8i_i:Li-Mo-O-Y +mp-557310,LiY(MoO4)2,-8.3095378542,-2.50618753,0.0507469074,0.0507469074,GGA+U,P-1,AB2C8D_aP24_2_i_2i_8i_i:Li-Mo-O-Y,24.0,"Invalid WP multiplicities - AB2C8D_aP24_2_i_2i_16i_i:Li-Mo-O-Y, expected LiY(MoO8)2 to be LiY(MoO4)2" +mp-1222331,LiY(MoO4)2,-8.3017591308,-2.4984088067,0.0585256307,0.0585256307,GGA+U,I-4,AB2C8D_tI24_82_a_bc_2g_d:Li-Mo-O-Y,12.0,"Invalid WP multiplicities - AB2C8D_tI24_82_a_bc_3g_d:Li-Mo-O-Y, expected LiY(MoO6)2 to be LiY(MoO4)2" +mp-1190344,Er2CuTe2(SO7)2,-6.9061834338,-2.2848597306,0.0170264919,0.0170264919,GGA,P-1,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Er-O-S-Te,21.0,AB2C14D2E2_aP21_2_a_i_7i_i_i:Cu-Er-O-S-Te +mp-1046558,Ba2Ca2Tl2W3O10,-7.3122497142,-2.0008963597,0.4705000958,0.4705000958,GGA+U,P1,A2B2C10D2E3_aP19_1_2a_2a_10a_2a_3a:Ba-Ca-O-Tl-W,19.0,A2B2C10D2E3_aP19_1_2a_2a_10a_2a_3a:Ba-Ca-O-Tl-W +mp-1843918,Ba2Ca3Tl2(WO3)4,-7.4189099883,-1.9505264549,0.5377046136,0.5377046136,GGA+U,I4/mmm,A2B3C12D2E4_tI46_139_e_ae_2e2g_e_2e:Ba-Ca-O-Tl-W,23.0,"Invalid WP multiplicities - A2B3C12D2E4_tI46_139_e_ae_4e6g_e_3e:Ba-Ca-O-Tl-W, expected Ba2Ca3Tl2(W3O16)2 to be Ba2Ca3Tl2(WO3)4" +mp-1518226,KLaSmFeO6,-7.357912482,-2.4663979156,0.207189477,0.207189477,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sm,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-Sm +mp-1194785,Ba3P3BrO10,-7.4007912975,-3.1056884868,0.002709164,0.002709164,GGA,P2_12_12_1,A3BC10D3_oP68_19_3a_a_10a_3a:Ba-Br-O-P,68.0,A3BC10D3_oP68_19_3a_a_10a_3a:Ba-Br-O-P +mp-727412,Ba3CuP2Br3O7,-3.5981954972,0.1498446573,2.9308816931,2.9308816931,GGA,P1,A3B3CD7E2_aP32_1_6a_6a_2a_14a_4a:Ba-Br-Cu-O-P,32.0,A3B3CD7E2_aP32_1_6a_6a_2a_14a_4a:Ba-Br-Cu-O-P +mp-703291,Ba3CuP2Br3O7,-5.9516439347,-2.2036037802,0.5774332556,0.5774332556,GGA,P1,A3B3CD7E2_aP32_1_6a_6a_2a_14a_4a:Ba-Br-Cu-O-P,32.0,A3B3CD7E2_aP32_1_6a_6a_2a_14a_4a:Ba-Br-Cu-O-P +mp-34034,Ba8P5Br,-4.3478360521,-1.2070260248,0.0,-0.0477336345,GGA,I-4,A8BC5_tI28_82_2g_a_cg:Ba-Br-P,14.0,"Invalid WP multiplicities - A8BC5_tI28_82_4g_a_c2g:Ba-Br-P, expected Ba16P9Br to be Ba8P5Br" +mp-561125,Ba5P3BrO12,-7.4059188712,-3.2750581529,0.0,-0.0266287933,GGA,P6_3/m,A5BC12D3_hP42_176_fh_b_2hi_h:Ba-Br-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_3f2h_b_10h10i_h:Ba-Br-O-P, expected Ba12P3BrO90 to be Ba5P3BrO12" +mp-1105535,Ba2P7Br,-5.169781861,-0.8413722853000001,0.0,-0.014184814,GGA,P2_1/m,A2BC7_mP20_11_2e_e_3e2f:Ba-Br-P,20.0,A2BC7_mP20_11_2e_e_3e2f:Ba-Br-P +mp-1046499,Ba2Mg2Tl2W3O10,-7.1054754226,-1.8367873134,0.5305460294000001,0.5305460294000001,GGA+U,P1,A2B2C10D2E3_aP19_1_2a_2a_10a_2a_3a:Ba-Mg-O-Tl-W,19.0,A2B2C10D2E3_aP19_1_2a_2a_10a_2a_3a:Ba-Mg-O-Tl-W +mp-1340768,Ba2Mg3Tl2(WO3)4,-7.0438597887,-1.6283440592,0.7276476614,0.7276476614,GGA+U,I4/mmm,A2B3C12D2E4_tI46_139_e_ae_2e2g_e_2e:Ba-Mg-O-Tl-W,23.0,"Invalid WP multiplicities - A2B3C12D2E4_tI46_139_e_ae_4e6g_e_3e:Ba-Mg-O-Tl-W, expected Ba2Mg3Tl2(W3O16)2 to be Ba2Mg3Tl2(WO3)4" +mp-1079747,Sr2Ti2As2OF2,-6.6896617344,-2.5499001349,0.0,-0.0069459249,GGA,I4/mmm,A2B2CD2E2_tI18_139_e_d_a_e_c:As-F-O-Sr-Ti,9.0,A2B2CD2E2_tI18_139_e_d_a_e_c:As-F-O-Sr-Ti +mp-17777,Sr5As3O12F,-6.8395867607,-2.8540359996,0.0,-0.0426374224,GGA,P6_3/m,A3BC12D5_hP42_176_h_a_2hi_fh:As-F-O-Sr,42.0,"Invalid WP multiplicities - A3BC12D5_hP42_176_h_a_6h3i_fh:As-F-O-Sr, expected Sr5As3O36F to be Sr5As3O12F" +mp-1518645,NaZrSnWO6,-8.041799374,-2.3899933464,0.1644080843,0.1644080843,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sn-W-Zr,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sn-W-Zr +mp-1517500,NaEuBiWO6,-8.018084094,-2.2122562219,0.1255462674,0.1255462674,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-Na-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-Na-O-W +mp-771169,Na2CrAsCO7,-7.1428257358,-2.0751004914,0.0,-0.0331195212,GGA+U,P2_1/m,ABCD2E7_mP24_11_e_e_e_f_5ef:As-C-Cr-Na-O,24.0,"Invalid WP multiplicities - ABCD2E7_mP24_11_e_e_e_f_9e2f:As-C-Cr-Na-O, expected Na2CrAsCO13 to be Na2CrAsCO7" +mp-770736,Na4Cr2As(CO4)4,-7.305193575,-1.9230826169,0.0838722522,0.0838722522,GGA+U,Fddd,AB4C2D4E16_oF216_70_a_h_d_ef_4h:As-C-Cr-Na-O,54.0,"Invalid WP multiplicities - AB4C2D4E16_oF216_70_a_h_d_2e3f_21h:As-C-Cr-Na-O, expected Na10Cr2As(CO21)4 to be Na4Cr2As(CO4)4" +mp-773138,NaCrAsCO7,-7.2730860045,-1.8648880373,0.0532840744,0.0532840744,GGA+U,P2_1,ABCDE7_mP22_4_a_a_a_a_7a:As-C-Cr-Na-O,22.0,"Invalid WP multiplicities - ABCDE7_mP22_4_a_a_a_a_13a:As-C-Cr-Na-O, expected NaCrAsCO13 to be NaCrAsCO7" +mp-771038,Na3CrAsCO7,-6.8217404346,-2.0421074941,0.0364899238,0.0364899238,GGA+U,P2_1/m,ABCD3E7_mP26_11_e_e_e_ef_5ef:As-C-Cr-Na-O,26.0,"Invalid WP multiplicities - ABCD3E7_mP26_11_e_e_e_2ef_9e2f:As-C-Cr-Na-O, expected Na4CrAsCO13 to be Na3CrAsCO7" +mp-769542,Na5Cr2As(CO4)4,-7.2197101155,-1.9825843597,0.0701407356,0.0701407356,GGA+U,Fdd2,AB4C2D5E16_oF224_43_a_2b_b_a2b_8b:As-C-Cr-Na-O,56.0,"Invalid WP multiplicities - AB4C2D5E16_oF224_43_a_6b_b_2a8b_22b:As-C-Cr-Na-O, expected Na18Cr2As(C3O11)4 to be Na5Cr2As(CO4)4" +mp-770747,Na6Cr2As(CO4)4,-7.1010096295,-1.9988700965,0.0641228969,0.0641228969,GGA+U,Fd-3,AB4C2D6E16_cF232_203_a_e_d_f_eg:As-C-Cr-Na-O,58.0,"Invalid WP multiplicities - AB4C2D6E16_cF232_203_a_e_d_f_6e7g:As-C-Cr-Na-O, expected Na6Cr2As(CO27)4 to be Na6Cr2As(CO4)4" +mp-1516715,BaCaMnWO6,-8.243618466,-2.6711332050000003,0.0858069539,0.0858069539,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Mn-O-W +mp-1097499,NbCr2W,-6.10954633,4.4818362225,4.5039367575,4.5039367575,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-Nb-W,4.0,A2BC_oI8_71_e_a_b:Cr-Nb-W +mp-755680,Li4NbCr(WO6)2,-8.089992641,-2.4566641924,0.0226512934,0.0226512934,GGA+U,P1,AB4CD12E2_aP20_1_a_4a_a_12a_2a:Cr-Li-Nb-O-W,40.0,"Invalid WP multiplicities - AB4CD12E2_aP20_1_a_4a_a_12a_4a:Cr-Li-Nb-O-W, expected Li4NbCr(WO3)4 to be Li4NbCr(WO6)2" +mp-631452,NbCrW,-9.8910680167,1.0130928967,1.0416654817,1.0416654817,GGA,F-43m,ABC_cF12_216_a_b_c:Cr-Nb-W,3.0,ABC_cF12_216_a_b_c:Cr-Nb-W +mp-2228781,K6MgCu(SiO4)2,-5.6075995428,-2.1194869788,0.2929264317,0.2929264317,GGA,P1,AB6CD8E2_aP18_1_a_6a_a_8a_2a:Cu-K-Mg-O-Si,18.0,AB6CD8E2_aP18_1_a_6a_a_8a_2a:Cu-K-Mg-O-Si +mp-2223644,K2Mg(CuO2)2,-4.9155451311,-1.3815177834,0.3191876831,0.3191876831,GGA,Pm,A2B2CD4_mP9_6_ab_ab_a_2c:Cu-K-Mg-O,9.0,"Invalid WP multiplicities - A2B2CD4_mP9_6_ab_ab_a_4c:Cu-K-Mg-O, expected K2Mg(CuO4)2 to be K2Mg(CuO2)2" +mp-2240155,K2Mg(CuO2)2,-4.9612281722,-1.4272008246,0.2735046419,0.2735046419,GGA,C2/m,A2B2CD4_mC18_12_i_i_a_2i:Cu-K-Mg-O,9.0,A2B2CD4_mC18_12_i_i_a_2i:Cu-K-Mg-O +mp-1517230,BaSrSmVO6,-7.804718065,-3.0956087784,0.1405423281,0.1405423281,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sm-Sr-V,10.0,AB6CDE_cF40_216_c_f_a_d_b:Ba-O-Sm-Sr-V +mp-6272,NaEuP2O7,-8.1327830298,-2.9479691129,0.0,-0.0475288759,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Eu-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Eu-Na-O-P +mp-642234,NaEu(PO3)4,-7.9227091418,-2.7786534943000003,0.0252415864,0.0252415864,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Eu-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_47e_13e:Eu-Na-O-P, expected NaEuP13O47 to be NaEu(PO3)4" +mp-1223158,NaEuTi8(PO4)12,-8.4332437936,-3.0454702015,0.0,-0.0071037843,GGA,P-1,ABC48D12E8_aP70_2_b_e_24i_6i_4i:Eu-Na-O-P-Ti,70.0,"Invalid WP multiplicities - ABC48D12E8_aP70_2_b_e_48i_12i_8i:Eu-Na-O-P-Ti, expected NaEuTi16(PO4)24 to be NaEuTi8(PO4)12" +mp-1043769,CaTiSb(PO4)3,-7.7833287236,-2.8038695463,0.0899604728,0.0899604728,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ca-O-P-Sb-Ti,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ca-O-P-Sb-Ti, expected CaTiSb(PO18)3 to be CaTiSb(PO4)3" +mp-758082,Ti3CoSn2(PO4)6,-8.0056582922,-2.7274838015,0.028738302,0.028738302,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Co-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Co-O-P-Sn-Ti, expected Ti3CoSn2(PO10)6 to be Ti3CoSn2(PO4)6" +mp-756317,Al2HgO4,-6.4841713314,-2.5439446357,0.1144796431,0.1144796431,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Al-Hg-O,14.0,A2BC4_cF56_227_c_b_e:Al-Hg-O +mp-1188386,FeHgO2F5,-4.4172651389,-1.2812124906,0.4604734123,0.4604734123,GGA+U,Pbam,A5BCD2_oP18_55_a2h_b_c_g:F-Fe-Hg-O,18.0,A5BCD2_oP18_55_a2h_b_c_g:F-Fe-Hg-O +mp-1095623,AlHg3(OF3)2,-4.2410062283,-2.0727672156,0.0215824565,0.0215824565,GGA,R-3m,AB6C3D2_hR36_166_a_h_e_c:Al-F-Hg-O,12.0,AB6C3D2_hR36_166_a_h_e_c:Al-F-Hg-O +mp-1225010,FeHg2O3F5,-4.2969821245,-1.2538145872,0.2905856578,0.2905856578,GGA+U,Amm2,A5BC2D3_oC22_38_a2e_b_d_2ab:F-Fe-Hg-O,11.0,"Invalid WP multiplicities - A5BC2D3_oC22_38_a3e_b_d_2ab:F-Fe-Hg-O, expected FeHg2O3F7 to be FeHg2O3F5" +mp-1182875,AlHg2O2F5,-4.3139698375,-1.9335989555,0.2579300826,0.2579300826,GGA,I4cm,AB5C2D2_tI40_108_a_ad_c_c:Al-F-Hg-O,20.0,AB5C2D2_tI40_108_a_ad_c_c:Al-F-Hg-O +mp-1189716,AlHg2O2F5,-4.0909008475,-1.7105299655,0.4809990726,0.4809990726,GGA,I4cm,AB5C2D2_tI40_108_a_ad_c_c:Al-F-Hg-O,20.0,AB5C2D2_tI40_108_a_ad_c_c:Al-F-Hg-O +mp-1214999,AlFe4Hg2O2F,-5.155207919,-0.15142014,1.2539047372,1.2539047372,GGA+U,I4cm,ABC4D2E2_tI40_108_a_a_d_c_c:Al-F-Fe-Hg-O,,ABC4D2E2_tI40_108_a_a_d_c_c:Al-F-Fe-Hg-O +mp-1238368,AlFe4Hg2O2F,-5.2299512175,-0.2261634385,1.1791614387,1.1791614387,GGA+U,I4cm,ABC4D2E2_tI40_108_a_a_d_c_c:Al-F-Fe-Hg-O,20.0,ABC4D2E2_tI40_108_a_a_d_c_c:Al-F-Fe-Hg-O +mp-776536,V3Cr3(SbO8)2,-8.1535784488,-2.1695833454,0.1172352299,0.1172352299,GGA+U,P1,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Sb-V,24.0,A3B16C2D3_aP24_1_3a_16a_2a_3a:Cr-O-Sb-V +mp-774622,Li4V2Cr3Sb3O16,-7.4202764979,-2.195395458,0.0977864682,0.0977864682,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Cr-Li-O-Sb-V,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Cr-Li-O-Sb-V +mp-772143,V2Cr3Sb3O16,-7.876137553299999,-2.0985968179,0.1274928728,0.1274928728,GGA+U,Cm,A3B16C3D2_mC48_8_ab_8a4b_ab_2a:Cr-O-Sb-V,24.0,"Invalid WP multiplicities - A3B16C3D2_mC48_8_ab_8a6b_ab_2a:Cr-O-Sb-V, expected V2Cr3Sb3O20 to be V2Cr3Sb3O16" +mp-776595,Li4V3Cr3(SbO8)2,-7.7566309304,-2.3547890037,0.0140901254,0.0140901254,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Cr-Li-O-Sb-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Cr-Li-O-Sb-V, expected Li4V3Cr3(SbO10)2 to be Li4V3Cr3(SbO8)2" +mp-1216355,VCrSbO6,-8.0997085261,-2.2612544097,0.0,-0.0204827558,GGA+U,P4_2nm,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-V,18.0,AB6CD_tP18_102_a_3c_a_a:Cr-O-Sb-V +mp-778794,V3Cr2Sb3O16,-7.8815260912,-2.1276995808,0.1272360817,0.1272360817,GGA+U,Cm,A2B16C3D3_mC48_8_2a_8a4b_ab_ab:Cr-O-Sb-V,24.0,"Invalid WP multiplicities - A2B16C3D3_mC48_8_2a_8a6b_ab_ab:Cr-O-Sb-V, expected V3Cr2Sb3O20 to be V3Cr2Sb3O16" +mp-554766,AgP(XeF5)2,-3.7631838546,-1.8036841029,0.009030325,0.009030325,GGA,I4/mcm,AB10CD2_tI56_140_d_fkl_c_e:Ag-F-P-Xe,28.0,"Invalid WP multiplicities - AB10CD2_tI56_140_d_2f5k3l_c_e:Ag-F-P-Xe, expected AgP(XeF18)2 to be AgP(XeF5)2" +mp-34418,AgPF6,-5.0024978775,-2.5381563381,0.0,-0.03808301,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ag-F-P,8.0,AB6C_cF32_225_a_e_b:Ag-F-P +mp-1213409,Fe4AgP(XeF3)2,-4.6615624743,-0.8281935104,0.9236820942,0.9236820942,GGA+U,I-4c2,AB6C4DE2_tI56_120_d_fi_i_b_e:Ag-F-Fe-P-Xe,28.0,AB6C4DE2_tI56_120_d_fi_i_b_e:Ag-F-Fe-P-Xe +mp-861944,KNaPrTaO5,-7.9748148822,-3.1075869731,0.0,-0.080042853,GGA,P4/nmm,ABC5DE_tP18_129_a_c_cj_b_c:K-Na-O-Pr-Ta,18.0,"Invalid WP multiplicities - ABC5DE_tP18_129_a_c_2cj_b_c:K-Na-O-Pr-Ta, expected KNaPrTaO6 to be KNaPrTaO5" +mp-9462,CsTeSe3,-3.6579640715,-0.7526755318,0.0430987742,0.0430987742,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Cs-Se-Te,20.0,AB3C_mP20_14_e_3e_e:Cs-Se-Te +mp-1202488,Cs4TeSe15,-3.7598071644,-0.8016277871,0.0107701248,0.0107701248,GGA,Pbcm,A4B15C_oP80_57_2c2d_d7e_d:Cs-Se-Te,80.0,A4B15C_oP80_57_2c2d_d7e_d:Cs-Se-Te +mp-1215093,Cs2TeH6SeO10,-5.4148064136,-1.5021431387000002,0.0,-0.0180408816,GGA,P2_1/c,A2B6C10DE_mP80_14_2e_6e_10e_e_ad:Cs-H-O-Se-Te,80.0,A2B6C10DE_mP80_14_2e_6e_10e_e_ad:Cs-H-O-Se-Te +mp-1192447,Nd6Mg23C,-2.584614051,-0.0964810097,0.0070472998,0.0070472998,GGA,Fm-3m,AB23C6_cF120_225_a_bd2f_e:C-Mg-Nd,30.0,AB23C6_cF120_225_a_bd2f_e:C-Mg-Nd +mp-1211102,Nd4MgSi4(C2O11)2,-8.089544549,-2.7148029628,0.2834700806,0.2834700806,GGA,P2_1/c,A4BC4D22E4_mP70_14_ace_b_2e_11e_2e:C-Mg-Nd-O-Si,70.0,A4BC4D22E4_mP70_14_ace_b_2e_11e_2e:C-Mg-Nd-O-Si +mp-1105180,Sr2Sb2Se3O2,-5.38683541,-1.8292686053,0.0,-0.0387717862,GGA,P2_1/c,A2B2C3D2_mP18_14_e_e_ae_e:O-Sb-Se-Sr,18.0,A2B2C3D2_mP18_14_e_e_ae_e:O-Sb-Se-Sr +mp-1199546,Sr10Sb16H6Se7O30,-6.0100129852,-2.0072977341,0.0,-0.0215907441,GGA,P2_1/c,A6B30C16D7E10_mP138_14_3e_15e_8e_a3e_5e:H-O-Sb-Se-Sr,138.0,A6B30C16D7E10_mP138_14_3e_15e_8e_a3e_5e:H-O-Sb-Se-Sr +mp-2217155,MgNb2(O2F)2,-8.0349479867,-2.9891032189,0.219685575,0.219685575,GGA,P1,A2BC2D4_aP9_1_2a_a_2a_4a:F-Mg-Nb-O,9.0,A2BC2D4_aP9_1_2a_a_2a_4a:F-Mg-Nb-O +mp-2223131,MgNb2(O2F)2,-7.9562995744,-2.9104548067,0.2983339872,0.2983339872,GGA,Imm2,A2BC2D4_oI18_44_ab_a_c_e:F-Mg-Nb-O,9.0,A2BC2D4_oI18_44_ab_a_c_e:F-Mg-Nb-O +mp-2215863,MgNb3O7F,-8.6149179933,-2.9113767336,0.1799244673,0.1799244673,GGA,Pm,ABC3D7_mP12_6_a_a_3b_2a5b:F-Mg-Nb-O,12.0,ABC3D7_mP12_6_a_a_3b_2a5b:F-Mg-Nb-O +mp-2226506,MgNb3O7F,-8.6508266175,-2.9472853578,0.1440158431,0.1440158431,GGA,Pm,ABC3D7_mP12_6_a_b_3a_4a3b:F-Mg-Nb-O,12.0,ABC3D7_mP12_6_a_b_3a_4a3b:F-Mg-Nb-O +mp-2218183,MgNb3O7F,-8.6630551333,-2.9595138736,0.1317873273,0.1317873273,GGA,Amm2,ABC3D7_oC24_38_a_b_ad_b2de:F-Mg-Nb-O,12.0,ABC3D7_oC24_38_a_b_ad_b2de:F-Mg-Nb-O +mp-2215966,MgNb3O7F,-8.615048915,-2.9115076553,0.1797935456,0.1797935456,GGA,Amm2,ABC3D7_oC24_38_a_a_3b_2a5b:F-Mg-Nb-O,12.0,ABC3D7_oC24_38_a_a_3b_2a5b:F-Mg-Nb-O +mp-2223090,MgNbOF3,-6.7457931133,-3.0153413294,0.3440487076,0.3440487076,GGA,Imm2,A3BCD_oI12_44_a2b_a_b_a:F-Mg-Nb-O,6.0,A3BCD_oI12_44_a2b_a_b_a:F-Mg-Nb-O +mp-2225315,MgNbOF3,-6.6403557033,-2.9099039194,0.4494861176,0.4494861176,GGA,Immm,A3BCD_oI12_71_ce_a_b_d:F-Mg-Nb-O,6.0,"Invalid WP multiplicities - A3BCD_oI12_71_c2e_a_b_d:F-Mg-Nb-O, expected MgNbOF5 to be MgNbOF3" +mp-2229219,MgNb4(O2F)4,-8.2771730729,-3.0286480276,0.167991161,0.167991161,GGA,P1,A4BC4D8_aP17_1_4a_a_4a_8a:F-Mg-Nb-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:F-Mg-Nb-O +mp-2229329,MgNb4(O2F)4,-8.2684536488,-3.0199286035,0.1767105851,0.1767105851,GGA,P1,A4BC4D8_aP17_1_4a_a_4a_8a:F-Mg-Nb-O,17.0,A4BC4D8_aP17_1_4a_a_4a_8a:F-Mg-Nb-O +mp-2225027,MgNb4(O2F)4,-8.2563642729,-3.0078392276,0.188799961,0.188799961,GGA,P2,A4BC4D8_mP17_3_2e_a_2e_abcd2e:F-Mg-Nb-O,17.0,"Invalid WP multiplicities - A4BC4D8_mP17_3_4e_a_4e_abcd4e:F-Mg-Nb-O, expected MgNb8(O3F2)4 to be MgNb4(O2F)4" +mp-2233570,MgNb2Cu2(O3F)2,-7.3704014115,-2.4854480521,0.181384856,0.181384856,GGA,P1,A2B2CD2E6_aP13_1_2a_2a_a_2a_6a:Cu-F-Mg-Nb-O,13.0,A2B2CD2E6_aP13_1_2a_2a_a_2a_6a:Cu-F-Mg-Nb-O +mp-1206019,Ce4SiI5,-4.995754166,-1.343303526,0.0,-0.0208042126,GGA,C2/m,A4B5C_mC20_12_2i_a2i_c:Ce-I-Si,10.0,A4B5C_mC20_12_2i_a2i_d:Ce-I-Si +mp-1225117,La9Ce3Si8(S8I)4,-6.1772187823,-1.8221163396,0.0072946485,0.0072946485,GGA,P1,A3B4C9D32E8_aP56_1_3a_4a_9a_32a_8a:Ce-I-La-S-Si,56.0,A3B4C9D32E8_aP56_1_3a_4a_9a_32a_8a:Ce-I-La-S-Si +mp-23090,La3Si2S8I,-6.1638514811,-1.8621641482,0.0,-0.037108832,GGA,C2/c,AB3C8D2_mC56_15_e_ef_4f_f:I-La-S-Si,28.0,AB3C8D2_mC56_15_e_ef_4f_f:I-La-S-Si +mp-1223524,La2CeSi2S8I,-6.1901250757,-1.8172175964,0.0012756717,0.0012756717,GGA,C2/c,ABC2D8E2_mC56_15_e_e_f_4f_f:Ce-I-La-S-Si,28.0,ABC2D8E2_mC56_15_e_e_f_4f_f:Ce-I-La-S-Si +mp-555409,Ce3Si2S8I,-6.24649928,-1.7311515079,0.0,-0.025046372,GGA,C2/c,A3BC8D2_mC56_15_ef_e_4f_f:Ce-I-S-Si,28.0,"Invalid WP multiplicities - A3BC8D2_mC56_15_2e3f_e_14f_f:Ce-I-S-Si, expected Ce8Si2S28I to be Ce3Si2S8I" +mp-1214037,Ce3SiI3,-5.1829428189,-1.2337021696,0.0,-0.0040189365,GGA,I4_132,A3B3C_cI56_214_g_h_a:Ce-I-Si,28.0,A3B3C_cI56_214_g_h_a:Ce-I-Si +mp-1211464,LaSI,-5.7446141042,-2.2293396635,0.0,-0.0129294942,GGA,Pbca,ABC_oP24_61_c_c_c:I-La-S,24.0,ABC_oP24_61_c_c_c:I-La-S +mp-680698,CeSI,-5.8861250446,-2.0384899206,0.0199480826,0.0199480826,GGA,Pbca,ABC_oP24_61_c_c_c:Ce-I-S,24.0,ABC_oP24_61_c_c_c:Ce-I-S +mp-29535,CeSiI,-5.440657895,-1.16340005,0.0,-0.0568400197,GGA,P-3m1,ABC_hP6_164_c_d_d:Ce-I-Si,6.0,ABC_hP6_164_c_d_d:Ce-I-Si +mp-1211510,KLiSm2(MoO4)4,-8.147945325,-2.5235239123,0.0086836695,0.0086836695,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Sm,48.0,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Sm +mp-1218946,Sr2CaCu6(BO3)6,-7.1059410661,-2.2848327559,0.0474758467,0.0474758467,GGA,C2,A6BC6D18E2_mC132_5_6c_c_6c_18c_abc:B-Ca-Cu-O-Sr,66.0,"Invalid WP multiplicities - A6BC6D18E2_mC132_5_12c_c_12c_36c_abc:B-Ca-Cu-O-Sr, expected Sr2CaCu12(BO3)12 to be Sr2CaCu6(BO3)6" +mp-1522846,KBaLaMnO6,-7.053224942,-2.3724720868,0.179891697,0.179891697,GGA+U,Pnnn,ABCDE6_oP40_48_ab_cd_e_f_3m:Ba-K-La-Mn-O,40.0,"Invalid WP multiplicities - ABCDE6_oP40_48_ab_2c2d_e_f_6m:Ba-K-La-Mn-O, expected K2BaLaMnO12 to be KBaLaMnO6" +mp-1522815,KBaLaMnO6,-7.057614199,-2.3768613438,0.17550244,0.17550244,GGA+U,F-43m,ABCDE6_cF40_216_c_d_a_b_f:Ba-K-La-Mn-O,10.0,ABCDE6_cF40_216_c_d_a_b_f:Ba-K-La-Mn-O +mp-504495,NaZnMoHO5,-6.5115408789,-1.8944199217,0.0067180268,0.0067180268,GGA+U,Pnma,ABCD5E_oP36_62_c_c_c_3cd_a:H-Mo-Na-O-Zn,36.0,ABCD5E_oP36_62_c_c_c_3cd_a:H-Mo-Na-O-Zn +mp-1177275,Li4Ti2V3Co3O16,-7.7636740371,-2.365446663,0.1067899148,0.1067899148,GGA+U,P1,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Ti-V,28.0,A3B4C16D2E3_aP28_1_3a_4a_16a_2a_3a:Co-Li-O-Ti-V +mp-758003,Li4Ti2V3Co3O16,-7.7601956832,-2.3619683091,0.1102682688,0.1102682688,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Co-Li-O-Ti-V,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Co-Li-O-Ti-V, expected Li4Ti2V3Co3O20 to be Li4Ti2V3Co3O16" +mp-1517613,KCeMnWO6,-8.379528498,-2.4951519088,0.1872978583,0.1872978583,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ce-K-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ce-K-Mn-O-W +mp-1211775,KCe(WO4)2,-8.6803613787,-2.6359231911,0.0268790305,0.0268790305,GGA+U,C2/m,ABC8D2_mC48_12_g_i_2i3j_hi:Ce-K-O-W,24.0,ABC8D2_mC48_12_g_i_2i3j_hi:Ce-K-O-W +mp-1201361,CsB6(H5N)3,-5.0751408132,-0.4002556753,0.1339310986,0.1339310986,GGA,Pbca,A6BC15D3_oP200_61_6c_c_15c_3c:B-Cs-H-N,200.0,A6BC15D3_oP200_61_6c_c_15c_3c:B-Cs-H-N +mp-1199766,CsNaB10H31N7,-5.0171233807,-0.3662870358,0.1724128715,0.1724128715,GGA,P-1,A10BC31D7E_aP200_2_20i_2i_62i_14i_2i:B-Cs-H-N-Na,200.0,A10BC31D7E_aP200_2_20i_2i_62i_14i_2i:B-Cs-H-N-Na +mp-1201964,NaB(H4N)2,-4.5825211675,-0.2644615613,0.2135253372,0.2135253372,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:B-H-N-Na,48.0,AB8C2D_mP48_14_e_8e_2e_e:B-H-N-Na +mp-1247247,Cs3BN2,-4.7601931179,-0.4204283284,0.1596152788,0.1596152788,GGA,I4_1/amd,AB3C2_tI48_141_e_eg_h:B-Cs-N,24.0,AB3C2_tI48_141_e_eg_h:B-Cs-N +mp-1221388,Na2BH4N,-3.8560579575,0.0479222253,0.5863840723,0.5863840723,GGA,P-42m,AB4CD2_tP8_111_b_n_a_e:B-H-N-Na,8.0,AB4CD2_tP8_111_b_n_a_e:B-H-N-Na +mp-677714,K2YbSn(PO4)3,-7.0773729266,-2.6894702906,0.0174054582,0.0174054582,GGA,P2_13,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Sn-Yb,,"Invalid WP multiplicities - A2B12C3DE_cP76_198_5a_37b_b_a_a:K-O-P-Sn-Yb, expected K5YbSn(PO37)3 to be K2YbSn(PO4)3" +mp-18184,KYbP2O7,-7.2253895052,-2.8523501217,0.0,-0.0025548216,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Yb,,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Yb +mp-616490,KYb(PO3)4,-7.3834608789,-2.7354896684,0.0,-0.0069869206,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:K-O-P-Yb,,"Invalid WP multiplicities - AB12C4D_mP72_14_e_44e_13e_e:K-O-P-Yb, expected KYbP13O44 to be KYb(PO3)4" +mp-1211880,K2Yb2(PO4)3,-7.0247111708,-2.7668066177,0.0103988624,0.0103988624,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-P-Yb,,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-P-Yb +mp-709019,Ca2CuH6(CO2)6,-6.862593975,-1.5589265606,0.1593233107,0.1593233107,GGA,C2/c,A6B2CD6E12_mC108_15_3f_f_e_3f_6f:C-Ca-Cu-H-O,54.0,A6B2CD6E12_mC108_15_3f_f_e_3f_6f:C-Ca-Cu-H-O +mp-504880,CaH12CO9,-5.7551481376,-1.5609230805,0.0269390365,0.0269390365,GGA,C2/c,ABC12D9_mC92_15_e_e_6f_e4f:C-Ca-H-O,46.0,ABC12D9_mC92_15_e_e_6f_e4f:C-Ca-H-O +mp-23686,CaCuH4(CO2)4,-6.7862748172,-1.4438369067,0.1729813233,0.1729813233,GGA,P2/c,A4BCD4E8_mP36_13_2g_e_f_2g_4g:C-Ca-Cu-H-O,36.0,"Invalid WP multiplicities - A4BCD4E8_mP36_13_3g_e_f_2g_8g:C-Ca-Cu-H-O, expected CaCuH4(C3O8)2 to be CaCuH4(CO2)4" +mp-1227890,Ca4H16C8O25,-6.6080404632,-1.7061054073,0.1395983903,0.1395983903,GGA,I4,A8B4C16D25_tI106_79_2c_c_4c_a6c:C-Ca-H-O,53.0,A8B4C16D25_tI106_79_2c_c_4c_a6c:C-Ca-H-O +mp-1227189,CaH2C2O5,-7.129607334,-1.9314246829,0.0631287454,0.0631287454,GGA,C2,A2BC2D5_mC40_5_2ac_c_2c_5c:C-Ca-H-O,20.0,A2BC2D5_mC40_5_2ac_c_2c_5c:C-Ca-H-O +mp-557769,CaH2C2O5,-7.1566443491,-1.958461698,0.0360917303,0.0360917303,GGA,P2_1/c,A2BC2D5_mP80_14_4e_2e_4e_10e:C-Ca-H-O,80.0,"Invalid WP multiplicities - A2BC2D5_mP80_14_13e_6e_15e_38e:C-Ca-H-O, expected Ca6H15C13O38 to be CaH2C2O5" +mp-1195133,CaH6(C2O3)2,-6.571197199,-1.3384471762,0.131102383,0.131102383,GGA,P-1,A4BC6D6_aP102_2_12i_3i_18i_18i:C-Ca-H-O,102.0,A4BC6D6_aP102_2_12i_3i_18i_18i:C-Ca-H-O +mp-560832,CaH2CO4,-6.864239256,-2.1384302175,0.0228220806,0.0228220806,GGA,P3_1,ABC2D4_hP72_144_3a_3a_6a_12a:C-Ca-H-O,72.0,"Invalid WP multiplicities - ABC2D4_hP72_144_6a_8a_16a_32a:C-Ca-H-O, expected Ca4H8C3O16 to be CaH2CO4" +mp-1227120,CaH2CO4,-6.8602420879,-2.1344330495,0.0268192486,0.0268192486,GGA,P3_1,ABC2D4_hP24_144_a_a_2a_4a:C-Ca-H-O,24.0,ABC2D4_hP24_144_a_a_2a_4a:C-Ca-H-O +mp-23685,CaH2(CO2)2,-7.0188045714,-1.7926781492,0.1284350047,0.1284350047,GGA,Pbca,A2BC2D4_oP72_61_2c_c_2c_4c:C-Ca-H-O,72.0,"Invalid WP multiplicities - A2BC2D4_oP72_61_2c_c_2c_10c:C-Ca-H-O, expected CaH2(CO5)2 to be CaH2(CO2)2" +mp-560210,CaH2(CO2)2,-7.0134966636,-1.7873702414,0.1337429125,0.1337429125,GGA,P4_12_12,A2BC2D4_tP36_92_b_a_b_2b:C-Ca-H-O,36.0,"Invalid WP multiplicities - A2BC2D4_tP36_92_b_a_b_8b:C-Ca-H-O, expected CaH2(CO8)2 to be CaH2(CO2)2" +mp-560511,CaH2(CO2)2,-7.0129606864,-1.7868342642,0.1342788897,0.1342788897,GGA,P4_32_12,A2BC2D4_tP36_96_b_a_b_2b:C-Ca-H-O,36.0,"Invalid WP multiplicities - A2BC2D4_tP36_96_b_a_b_12b:C-Ca-H-O, expected CaH2(CO12)2 to be CaH2(CO2)2" +mp-559469,CaH6C2O7,-6.4078052591,-1.692423502,0.0349426484,0.0349426484,GGA,P-1,A2BC6D7_aP32_2_2i_i_6i_7i:C-Ca-H-O,32.0,"Invalid WP multiplicities - A2BC6D7_aP32_2_3i_i_11i_14i:C-Ca-H-O, expected CaH11C3O14 to be CaH6C2O7" +mp-1214198,CaH(CO2)2,-7.1567288762,-1.7014274069000002,0.385409506,0.385409506,GGA,P2_1/c,A2BCD4_mP64_14_4e_2e_2e_8e:C-Ca-H-O,64.0,A2BCD4_mP64_14_4e_2e_2e_8e:C-Ca-H-O +mp-560066,SbSO2F5,-5.33801483,-2.2584344559,0.0361921181,0.0361921181,GGA,P2_1/c,A5B2CD_mP36_14_5e_2e_e_e:F-O-S-Sb,36.0,"Invalid WP multiplicities - A5B2CD_mP36_14_18e_4e_e_e:F-O-S-Sb, expected SbS(O2F9)2 to be SbSO2F5" +mp-1213195,CsSbS(O2F)2,-5.9318606317,-2.2906866029,0.0,-0.018099384,GGA,Pna2_1,AB2C4DE_oP36_33_a_2a_4a_a_a:Cs-F-O-S-Sb,36.0,AB2C4DE_oP36_33_a_2a_4a_a_a:Cs-F-O-S-Sb +mp-505281,CsSbS6(O3F)6,-6.0093393453,-1.9358276759,0.0,-0.0205865294,GGA,R-3,AB6C18D6E_hR96_148_a_f_3f_f_b:Cs-F-O-S-Sb,32.0,"Invalid WP multiplicities - AB6C18D6E_hR96_148_a_f_14f_f_b:Cs-F-O-S-Sb, expected CsSbS6(O14F)6 to be CsSbS6(O3F)6" +mp-1195448,CsSb(SO4)2,-6.3801280917,-1.9742270053,0.0,-0.0556155015,GGA,P2_12_12_1,AB8C2D_oP48_19_a_8a_2a_a:Cs-O-S-Sb,48.0,AB8C2D_oP48_19_a_8a_2a_a:Cs-O-S-Sb +mp-769377,SbSO4F3,-5.7009971117,-1.9469256834,0.0548433306,0.0548433306,GGA,P2_12_12_1,A3B4CD_oP36_19_3a_4a_a_a:F-O-S-Sb,36.0,"Invalid WP multiplicities - A3B4CD_oP36_19_9a_13a_a_a:F-O-S-Sb, expected SbSO13F9 to be SbSO4F3" +mp-1191332,CsS2(O3F)2,-5.8518571068,-1.9726396242,0.0,-0.0001328714,GGA,C2/c,AB2C6D2_mC44_15_e_f_3f_f:Cs-F-O-S,22.0,AB2C6D2_mC44_15_e_f_3f_f:Cs-F-O-S +mp-1197121,SbSO2F7,-5.1284788855,-2.2612805853,0.0435441714,0.0435441714,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:F-O-S-Sb,44.0,A7B2CD_mP44_14_7e_2e_e_e:F-O-S-Sb +mp-1213742,Cs2Sb2SO5F6,-5.3758085945000005,-2.2265851913,0.2671795195,0.2671795195,GGA,P4_12_12,A2B6C5DE2_tP64_92_b_3b_a2b_a_b:Cs-F-O-S-Sb,64.0,A2B6C5DE2_tP64_92_b_3b_a2b_a_b:Cs-F-O-S-Sb +mp-622195,CsSO3F,-5.8940961879,-2.2635299646,0.0,-0.1187340915,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:Cs-F-O-S,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_6e_e:Cs-F-O-S, expected CsSO6F to be CsSO3F" +mp-6368,CsSO2F,-5.554468788,-2.1871270622,0.0144406015,0.0144406015,GGA,Pnma,ABC2D_oP20_62_c_c_d_c:Cs-F-O-S,20.0,ABC2D_oP20_62_c_c_d_c:Cs-F-O-S +mp-1044419,CaBiWO5,-7.7158855578,-2.2736777083,0.1291166253,0.1291166253,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Bi-Ca-O-W,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_15e_e:Bi-Ca-O-W, expected CaBiWO15 to be CaBiWO5" +mp-1042689,CaBiWO5,-7.7270182788,-2.2848104292,0.1179839044,0.1179839044,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:Bi-Ca-O-W,64.0,"Invalid WP multiplicities - ABC5D_oP64_61_c_c_31c_c:Bi-Ca-O-W, expected CaBiWO31 to be CaBiWO5" +mp-1516386,KCaBiWO6,-7.174823487,-2.2153484416,0.176319222,0.176319222,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Ca-K-O-W +mp-1375332,Ca2BiWO6,-7.609616226,-2.5606210872,0.0844586005,0.0844586005,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Bi-Ca-O-W,20.0,AB2C6D_mP20_14_a_e_3e_b:Bi-Ca-O-W +mp-1516776,Ca2BiWO6,-7.419135771,-2.3701406323,0.2749390555,0.2749390555,GGA+U,P4/mnc,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-W,20.0,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-W +mp-1516707,Ca2BiWO6,-7.24793438,-2.1989392412,0.4461404465,0.4461404465,GGA+U,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-W,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-W +mp-737385,K3YSi3O10,-7.2630139563,-2.8194545942,0.0846082263,0.0846082263,GGA,Pnma,A3B10C3D_oP68_62_cd_2c4d_cd_c:K-O-Si-Y,68.0,A3B10C3D_oP68_62_cd_2c4d_cd_c:K-O-Si-Y +mp-559670,KBaYSi2O7,-7.9653654027,-3.3842568995,0.0,-0.0324723917,GGA,P2_1/c,ABC7D2E_mP48_14_e_e_7e_2e_e:Ba-K-O-Si-Y,48.0,"Invalid WP multiplicities - ABC7D2E_mP48_14_e_e_24e_5e_e:Ba-K-O-Si-Y, expected KBaYSi5O24 to be KBaYSi2O7" +mp-753488,Li8Ni(O2F)2,-5.1189899227,-2.1415744298,0.102386863,0.102386863,GGA+U,P-1,A2B8CD4_aP15_2_i_4i_a_2i:F-Li-Ni-O,15.0,"Invalid WP multiplicities - A2B8CD4_aP15_2_i_7i_a_3i:F-Li-Ni-O, expected Li14Ni(O3F)2 to be Li8Ni(O2F)2" +mp-861293,Li8Ni(O2F)2,-5.1096823607,-2.1322668678,0.111694425,0.111694425,GGA+U,P-1,A2B8CD4_aP30_2_2i_8i_be_4i:F-Li-Ni-O,30.0,"Invalid WP multiplicities - A2B8CD4_aP30_2_3i_15i_be_7i:F-Li-Ni-O, expected Li15NiO7F3 to be Li8Ni(O2F)2" +mp-1176816,Li8Ni(O2F)2,-5.1441214668,-2.1667059739,0.0772553188,0.0772553188,GGA+U,P-1,A2B8CD4_aP15_2_i_4i_a_2i:F-Li-Ni-O,60.0,A2B8CD4_aP15_2_i_4i_a_2i:F-Li-Ni-O +mp-765310,Li5Ni2O2F5,-5.4812791868,-2.584446333,0.0251487932,0.0251487932,GGA+U,I4/mmm,A5B5C2D2_tI28_139_a2e_b2e_e_e:F-Li-Ni-O,28.0,A5B5C2D2_tI28_139_a2e_b2e_e_e:F-Li-Ni-O +mp-760066,Li8NiO5F,-5.192509563,-2.0127467539,0.0462263852,0.0462263852,GGA+U,P1,AB8CD5_aP15_1_a_8a_a_5a:F-Li-Ni-O,30.0,AB8CD5_aP15_1_a_8a_a_5a:F-Li-Ni-O +mp-764727,Li8NiO5F,-5.206662894,-2.0269000849,0.0320730542,0.0320730542,GGA+U,P6_3,AB8CD5_hP30_173_b_2b2c_a_abc:F-Li-Ni-O,30.0,"Invalid WP multiplicities - AB8CD5_hP30_173_b_4b9c_a_a2b3c:F-Li-Ni-O, expected Li31NiO12F to be Li8NiO5F" +mp-758667,LiNi6O6F,-6.3102362557,-1.4401395285,0.0567566543,0.0567566543,GGA+U,I4/mmm,ABC6D6_tI28_139_a_b_3e_3e:F-Li-Ni-O,14.0,"Invalid WP multiplicities - ABC6D6_tI28_139_a_b_5e_5e:F-Li-Ni-O, expected LiNi10O10F to be LiNi6O6F" +mp-753703,Li3Ni2O2F3,-5.644192648,-2.3527070195,0.034348318,0.034348318,GGA+U,I4/mmm,A3B3C2D2_tI20_139_ae_be_e_e:F-Li-Ni-O,20.0,A3B3C2D2_tI20_139_ae_be_e_e:F-Li-Ni-O +mp-753092,Li4Ni3O3F4,-5.6812086371,-2.291059815,0.0403605754,0.0403605754,GGA+U,I4/mmm,A4B4C3D3_tI28_139_2e_2e_ae_be:F-Li-Ni-O,14.0,"Invalid WP multiplicities - A4B4C3D3_tI28_139_2e_2e_a2e_b2e:F-Li-Ni-O, expected Li4Ni5O5F4 to be Li4Ni3O3F4" +mp-764792,Li4Ni8O9F7,-5.7719946696,-1.7799469525,0.0676455175,0.0676455175,GGA+U,P1,A7B4C8D9_aP28_1_7a_4a_8a_9a:F-Li-Ni-O,28.0,A7B4C8D9_aP28_1_7a_4a_8a_9a:F-Li-Ni-O +mp-758736,Li3Ni3O3F5,-5.5197400486,-2.1294086478,0.0774550421,0.0774550421,GGA+U,Cm,A5B3C3D3_mC28_8_a2b_3a_ab_3a:F-Li-Ni-O,14.0,A5B3C3D3_mC28_8_a2b_3a_ab_3a:F-Li-Ni-O +mp-765342,Li7NiOF7,-5.2019959106,-2.8601435212,0.0623981828,0.0623981828,GGA+U,Cm,A7B7CD_mC32_8_7a_7a_a_a:F-Li-Ni-O,32.0,A7B7CD_mC32_8_7a_7a_a_a:F-Li-Ni-O +mp-758954,LiNi3O3F,-6.1356258962,-1.6355161453,0.0700110894,0.0700110894,GGA+U,P4/mmm,ABC3D3_tP8_123_a_c_dg_bh:F-Li-Ni-O,8.0,"Invalid WP multiplicities - ABC3D3_tP8_123_a_c_d2g_b2h:F-Li-Ni-O, expected LiNi5O5F to be LiNi3O3F" +mp-758448,Li5NiO3F,-5.2263503485000005,-2.018720737,0.095425679,0.095425679,GGA+U,C2/m,AB5CD3_mC40_12_g_i2j_i_hj:F-Li-Ni-O,20.0,"Invalid WP multiplicities - AB5CD3_mC40_12_g_i3j_i_hj:F-Li-Ni-O, expected Li7NiO3F to be Li5NiO3F" +mp-764733,Li5Ni5O9F,-5.8438149195,-1.5999661644,0.0374023969,0.0374023969,GGA+U,P1,AB5C5D9_aP20_1_a_5a_5a_9a:F-Li-Ni-O,20.0,AB5C5D9_aP20_1_a_5a_5a_9a:F-Li-Ni-O +mp-801465,Li5Ni3O5F3,-4.9757375731,-1.3911810211,0.697702107,0.697702107,GGA+U,P1,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O,16.0,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O +mp-759011,Li5Ni3O5F3,-5.5676160056,-1.9830594536,0.1058236745,0.1058236745,GGA+U,P1,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O,16.0,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O +mp-1402218,Li5Ni3O5F3,-5.3124268312,-1.7278702792,0.3610128489,0.3610128489,GGA+U,P1,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O,16.0,A3B5C3D5_aP16_1_3a_5a_3a_5a:F-Li-Ni-O +mp-942700,LiNiSO4F,-6.2775325525,-2.0870646492,0.0015092164,0.0015092164,GGA+U,P-1,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Ni-O-S,32.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_2a2b_4i_i:F-Li-Ni-O-S, expected LiNi2SO4F to be LiNiSO4F" +mp-753329,Li3Ni3OF7,-5.4499737096,-2.4932437008,0.037501433,0.037501433,GGA+U,R3m,A7B3C3D_hR42_160_a2b_3a_b_a:F-Li-Ni-O,28.0,A7B3C3D_hR42_160_a2b_3a_b_a:F-Li-Ni-O +mp-759635,Li6Ni11(OF12)2,-5.4422511258,-2.4002996532,0.0567029799,0.0567029799,GGA+U,P1,A24B6C11D2_aP43_1_24a_6a_11a_2a:F-Li-Ni-O,43.0,A24B6C11D2_aP43_1_24a_6a_11a_2a:F-Li-Ni-O +mp-765582,LiNi2OF3,-5.6346260307,-2.1845800535,0.0660564968,0.0660564968,GGA+U,Imm2,A3BC2D_oI56_44_abc2e_2c_abce_abc:F-Li-Ni-O,28.0,"Invalid WP multiplicities - A3BC2D_oI56_44_ab2c7e_2c_ab2c2e_abc:F-Li-Ni-O, expected Li2Ni7O2F17 to be LiNi2OF3" +mp-863383,LiNi2OF3,-5.6126056193,-2.1625596421,0.0880769082,0.0880769082,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Ni-O,28.0,"Invalid WP multiplicities - A3BC2D_oP28_62_3c2d_c_2a2c_c:F-Li-Ni-O, expected LiNi4OF7 to be LiNi2OF3" +mp-1176708,LiNi2OF3,-5.6097664139,-2.1597204367,0.0909161136,0.0909161136,GGA+U,Pnma,A3BC2D_oP28_62_cd_c_ac_c:F-Li-Ni-O,28.0,"Invalid WP multiplicities - A3BC2D_oP28_62_3c2d_c_2a2c_c:F-Li-Ni-O, expected LiNi4OF7 to be LiNi2OF3" +mp-753468,LiNi2OF3,-5.60475261,-2.1547066328,0.0959299175,0.0959299175,GGA+U,P-3m1,A3BC2D_hP14_164_i_d_af_d:F-Li-Ni-O,14.0,A3BC2D_hP14_164_i_d_af_d:F-Li-Ni-O +mp-753406,LiNi2OF3,-5.607848725,-2.1578027478,0.0928338025,0.0928338025,GGA+U,R-3m,A3BC2D_hR42_166_h_c_ad_c:F-Li-Ni-O,28.0,A3BC2D_hR42_166_h_c_ad_c:F-Li-Ni-O +mp-759513,Li7Ni(O2F)2,-5.1638626075,-2.1101262127,0.1063323763,0.1063323763,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O +mp-799539,Li7Ni(O2F)2,-4.0356171654,-0.9818807706,1.2345778185,1.2345778185,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O +mp-761279,Li7Ni(O2F)2,-5.1864697918000005,-2.132733397,0.083725192,0.083725192,GGA+U,P1,A2B7CD4_aP14_1_2a_7a_a_4a:F-Li-Ni-O,28.0,A2B7CD4_aP14_1_2a_7a_a_4a:F-Li-Ni-O +mp-1374313,Li7Ni(O2F)2,-4.7424242518,-1.688687857,0.527770732,0.527770732,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O +mp-1662701,Li7Ni(O2F)2,-5.1878107227,-2.1340743279,0.0823842611,0.0823842611,GGA+U,P1,A2B7CD4_aP56_1_8a_28a_4a_16a:F-Li-Ni-O,56.0,A2B7CD4_aP56_1_8a_28a_4a_16a:F-Li-Ni-O +mp-1663705,Li7Ni(O2F)2,-5.1819300357,-2.128193641,0.0882649481,0.0882649481,GGA+U,P1,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O,28.0,A2B7CD4_aP28_1_4a_14a_2a_8a:F-Li-Ni-O +mp-753094,Li3NiOF3,-5.3663295156,-2.5928256539,0.0863131562,0.0863131562,GGA+U,C2/m,A3B3CD_mC32_12_3i_ac2i_i_i:F-Li-Ni-O,16.0,"Invalid WP multiplicities - A3B3CD_mC32_12_6i_ad4i_i_i:F-Li-Ni-O, expected Li5NiOF6 to be Li3NiOF3" +mp-752550,Li3NiOF3,-5.4053014212,-2.6317975595,0.0473412506,0.0473412506,GGA+U,P4/mmm,A3B3CD_tP8_123_ah_cg_d_b:F-Li-Ni-O,32.0,A3B3CD_tP8_123_ah_cg_d_b:F-Li-Ni-O +mp-765224,Li2Ni4OF8,-5.468383005,-2.323255478,0.0787124357,0.0787124357,GGA+U,Cc,A8B2C4D_mC60_9_8a_2a_4a_a:F-Li-Ni-O,30.0,"Invalid WP multiplicities - A8B2C4D_mC60_9_16a_4a_8a_a:F-Li-Ni-O, expected Li4Ni8OF16 to be Li2Ni4OF8" +mp-765469,LiNi7O7F,-6.3104331944,-1.3786719711,0.0834523697,0.0834523697,GGA+U,Pm,ABC7D7_mP16_6_a_b_4a3b_3a4b:F-Li-Ni-O,16.0,ABC7D7_mP16_6_a_b_4a3b_3a4b:F-Li-Ni-O +mp-753213,Li4Ni2OF7,-5.2577242168,-2.5775094803,0.0701983653,0.0701983653,GGA+U,Cm,A7B4C2D_mC28_8_3a2b_4a_b_a:F-Li-Ni-O,28.0,A7B4C2D_mC28_8_3a2b_4a_b_a:F-Li-Ni-O +mp-753400,Li3NiO2F,-5.3700910229,-2.0398393557,0.0966460907,0.0966460907,GGA+U,Pnnm,AB3CD2_oP28_58_g_3g_g_2g:F-Li-Ni-O,28.0,"Invalid WP multiplicities - AB3CD2_oP28_58_g_9g_g_5g:F-Li-Ni-O, expected Li9NiO5F to be Li3NiO2F" +mp-753499,Li2Ni3O3F2,-5.9259624760000005,-1.9438344918,0.0537762155,0.0537762155,GGA+U,I4/mmm,A2B2C3D3_tI20_139_e_e_ae_be:F-Li-Ni-O,10.0,"Invalid WP multiplicities - A2B2C3D3_tI20_139_e_e_a2e_b2e:F-Li-Ni-O, expected Li2Ni5O5F2 to be Li2Ni3O3F2" +mp-753143,Li4NiOF4,-5.3372190085,-2.7363757357000003,0.040124232,0.040124232,GGA+U,I4/mmm,A4B4CD_tI20_139_2e_2e_a_b:F-Li-Ni-O,40.0,A4B4CD_tI20_139_2e_2e_a_b:F-Li-Ni-O +mp-759151,Li5NiO3F2,-5.26143328,-2.1716355453,0.0869421103,0.0869421103,GGA+U,C2/m,A2B5CD3_mC22_12_i_c2i_a_bi:F-Li-Ni-O,11.0,"Invalid WP multiplicities - A2B5CD3_mC22_12_i_c3i_b_ai:F-Li-Ni-O, expected Li7NiO3F2 to be Li5NiO3F2" +mp-759452,Li3Ni8(OF3)4,-5.6135414241,-2.1064168131,0.0761450141,0.0761450141,GGA+U,C2/m,A12B3C8D4_mC54_12_2i2j_ai_eij_2i:F-Li-Ni-O,27.0,"Invalid WP multiplicities - A12B3C8D4_mC54_12_4i3j_ai_ei2j_3i:F-Li-Ni-O, expected Li3Ni12(O3F10)2 to be Li3Ni8(OF3)4" +mp-753448,Li2Ni3OF6,-5.3761862629,-2.2450347388,0.1775876621,0.1775876621,GGA+U,P-1,A6B2C3D_aP24_2_6i_2i_3i_i:F-Li-Ni-O,24.0,"Invalid WP multiplicities - A6B2C3D_aP24_2_11i_3i_5i_i:F-Li-Ni-O, expected Li3Ni5OF11 to be Li2Ni3OF6" +mp-753307,LiNi4O4F,-6.216286166,-1.5435158261000002,0.064650251,0.064650251,GGA+U,I4/mmm,ABC4D4_tI20_139_a_b_2e_2e:F-Li-Ni-O,10.0,"Invalid WP multiplicities - ABC4D4_tI20_139_a_b_3e_3e:F-Li-Ni-O, expected LiNi6O6F to be LiNi4O4F" +mp-801751,Li3Ni5OF11,-3.980685146,-0.9506646783,1.5166619049,1.5166619049,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-753724,Li3Ni5OF11,-5.439755377,-2.4097349093,0.0575916739,0.0575916739,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-765345,Li3Ni5OF11,-5.4379830165,-2.4079625488,0.0593640344,0.0593640344,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-801980,Li3Ni5OF11,-4.135868936,-1.1058484683,1.3614781149,1.3614781149,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-1367449,Li3Ni5OF11,-4.720066203,-1.6900457353,0.7772808479000001,0.7772808479000001,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-1368182,Li3Ni5OF11,-4.824846158,-1.7948256903000002,0.6725008929,0.6725008929,GGA+U,P1,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O,20.0,A11B3C5D_aP20_1_11a_3a_5a_a:F-Li-Ni-O +mp-753331,LiNi2O2F,-6.0285492825,-1.8162071797,0.0515886508,0.0515886508,GGA+U,P4/nmm,ABC2D2_tP12_129_c_c_2c_2c:F-Li-Ni-O,12.0,"Invalid WP multiplicities - ABC2D2_tP12_129_c_c_3c_3c:F-Li-Ni-O, expected LiNi3O3F to be LiNi2O2F" +mp-753317,LiNi3OF5,-5.548813483,-2.1734718375,0.0977787372,0.0977787372,GGA+U,P1,A5BC3D_aP10_1_5a_a_3a_a:F-Li-Ni-O,10.0,A5BC3D_aP10_1_5a_a_3a_a:F-Li-Ni-O +mp-1401640,LiNi3OF5,-2.95424006,0.4211015855,2.6923521602,2.6923521602,GGA+U,P1,A5BC3D_aP10_1_5a_a_3a_a:F-Li-Ni-O,10.0,A5BC3D_aP10_1_5a_a_3a_a:F-Li-Ni-O +mp-799788,Li2NiO2F,-4.2248709,-0.6577310994000001,1.3966687306,1.3966687306,GGA+U,P1,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Ni-O,24.0,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Ni-O +mp-1283454,Li2NiO2F,-5.6165999067,-2.0494601061,0.0049397239,0.0049397239,GGA+U,P1,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Ni-O,24.0,AB2CD2_aP24_1_4a_8a_4a_8a:F-Li-Ni-O +mp-765501,Li2NiO2F,-5.5528603862,-1.9857205857,0.0686792443,0.0686792443,GGA+U,C2,AB2CD2_mC48_5_2c_2a3c_a3b_4c:F-Li-Ni-O,24.0,"Invalid WP multiplicities - AB2CD2_mC48_5_4c_2a6c_a3b_7c:F-Li-Ni-O, expected Li7Ni2O7F4 to be Li2NiO2F" +mp-764731,Li2NiO2F,-5.5322291288,-1.9650893282,0.0893105018,0.0893105018,GGA+U,Cc,AB2CD2_mC48_9_2a_4a_2a_4a:F-Li-Ni-O,24.0,AB2CD2_mC48_9_4a_8a_4a_8a:F-Li-Ni-O +mp-1272313,Li2NiO2F,-5.620695265,-2.0535554644,0.0008443656,0.0008443656,GGA+U,C2/m,AB2CD2_mC24_12_i_aci_i_2i:F-Li-Ni-O,24.0,AB2CD2_mC24_12_i_adi_i_2i:F-Li-Ni-O +mp-758524,Li2NiO2F,-5.6094892042,-2.0423494036,0.0120504264,0.0120504264,GGA+U,P-3m1,AB2CD2_hP12_164_d_abd_d_cd:F-Li-Ni-O,12.0,"Invalid WP multiplicities - AB2CD2_hP12_164_d_abd_d_2c2d:F-Li-Ni-O, expected Li2NiO4F to be Li2NiO2F" +mp-753465,LiNi5O5F,-6.2714610075,-1.4835836083,0.0596750304,0.0596750304,GGA+U,P4/mmm,ABC5D5_tP12_123_a_c_bgh_dgh:F-Li-Ni-O,12.0,"Invalid WP multiplicities - ABC5D5_tP12_123_a_c_b2g2h_d2g2h:F-Li-Ni-O, expected LiNi9O9F to be LiNi5O5F" +mp-752750,Li3Ni4O4F3,-5.8910748214,-2.0076100309,0.0456356236,0.0456356236,GGA+U,I4/mmm,A3B3C4D4_tI28_139_ae_be_2e_2e:F-Li-Ni-O,14.0,"Invalid WP multiplicities - A3B3C4D4_tI28_139_ae_be_3e_3e:F-Li-Ni-O, expected LiNi2O2F to be Li3Ni4O4F3" +mp-758931,LiNi5O3F5,-5.8336134225,-1.8902514769,0.0802764898,0.0802764898,GGA+U,R3m,A5BC5D3_hR42_160_2ab_a_2ab_b:F-Li-Ni-O,28.0,"Invalid WP multiplicities - A5BC5D3_hR42_160_2ab_a_3a2b_b:F-Li-Ni-O, expected LiNi9O3F5 to be LiNi5O3F5" +mp-753281,Li6NiOF6,-5.2030002286,-2.7994833431,0.0882865189,0.0882865189,GGA+U,Immm,A6B6CD_oI28_71_3e_3f_c_a:F-Li-Ni-O,56.0,A6B6CD_oI28_71_3e_3f_c_a:F-Li-Ni-O +mp-753283,Li6NiOF6,-5.2643222429,-2.8608053574000003,0.0269645046,0.0269645046,GGA+U,I4/mmm,A6B6CD_tI28_139_3e_3e_a_b:F-Li-Ni-O,28.0,A6B6CD_tI28_139_3e_3e_a_b:F-Li-Ni-O +mp-758172,Li4Ni3(OF3)2,-5.4885612467,-2.3993377311,0.0816382823,0.0816382823,GGA+U,P-1,A6B4C3D2_aP15_2_3i_2i_ai_i:F-Li-Ni-O,30.0,"Invalid WP multiplicities - A6B4C3D2_aP15_2_3i_2i_2a2i_i:F-Li-Ni-O, expected Li2Ni3OF3 to be Li4Ni3(OF3)2" +mp-1277814,Li5NiOF5,-5.2534378733,-2.7677016598,0.0737057462,0.0737057462,GGA+U,Pc,A5B5CD_mP24_7_5a_5a_a_a:F-Li-Ni-O,48.0,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Ni-O +mp-1273264,Li5NiOF5,-5.2517895058,-2.7660532923,0.0753541138,0.0753541138,GGA+U,Cm,A5B5CD_mC96_8_20a_20a_4a_4a:F-Li-Ni-O,48.0,A5B5CD_mC96_8_20a_20a_4a_4a:F-Li-Ni-O +mp-1289063,Li5NiOF5,-5.2534171808,-2.7676809673,0.0737264387,0.0737264387,GGA+U,Cc,A5B5CD_mC48_9_10a_10a_2a_2a:F-Li-Ni-O,48.0,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Ni-O +mp-753377,Li5NiOF5,-5.2956905783,-2.8099543648000003,0.0314530413,0.0314530413,GGA+U,P4/mmm,A5B5CD_tP12_123_agh_cgh_b_d:F-Li-Ni-O,24.0,A5B5CD_tP12_123_agh_cgh_b_d:F-Li-Ni-O +mp-753062,Li5NiOF5,-5.2532448687,-2.7675086552,0.0738987508,0.0738987508,GGA+U,P3m1,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Ni-O,24.0,A5B5CD_hP12_156_2a3b_3a2b_b_a:F-Li-Ni-O +mp-859785,Li3Ni2OF5,-5.3798106955,-2.4897083765,0.0962287245,0.0962287245,GGA+U,F222,A5B3C2D_oF88_22_f2k_acej_bde_i:F-Li-Ni-O,22.0,"Invalid WP multiplicities - A5B3C2D_oF88_22_2f5k_ac2e2j_bd2e_i:F-Li-Ni-O, expected Li5Ni3OF12 to be Li3Ni2OF5" +mp-759179,LiNiOF,-5.78348165,-2.1466748436,0.0456581788,0.0456581788,GGA+U,P4/mmm,ABCD_tP12_123_ah_cg_bh_dg:F-Li-Ni-O,12.0,"Invalid WP multiplicities - ABCD_tP12_123_ah_cg_b2h_d2g:F-Li-Ni-O, expected Li3Ni5O5F3 to be LiNiOF" +mp-753559,LiNiOF,-5.7895799719,-2.1527731655,0.0395598569,0.0395598569,GGA+U,P4/nmm,ABCD_tP16_129_2c_2c_2c_2c:F-Li-Ni-O,16.0,ABCD_tP16_129_3c_3c_3c_3c:F-Li-Ni-O +mp-859156,Li4Ni7(OF7)2,-5.4842173548,-2.3453013847,0.0658463011,0.0658463011,GGA+U,C2/m,A14B4C7D2_mC54_12_3i2j_2i_aefi_i:F-Li-Ni-O,27.0,"Invalid WP multiplicities - A14B4C7D2_mC54_12_4i5j_4i_a2e2f2i_i:F-Li-Ni-O, expected Li8Ni13(OF14)2 to be Li4Ni7(OF7)2" +mp-761276,Li4Ni3O6F,-5.7143062421,-1.673755332,0.0630602786,0.0630602786,GGA+U,C2/m,AB4C3D6_mC28_12_a_2i_bi_3i:F-Li-Ni-O,14.0,"Invalid WP multiplicities - AB4C3D6_mC28_12_a_3i_b2i_6i:F-Li-Ni-O, expected Li6Ni5O12F to be Li4Ni3O6F" +mp-753392,Li2NiOF2,-5.5400687592,-2.4787972492,0.038072965,0.038072965,GGA+U,P4/nmm,A2B2CD_tP12_129_2c_2c_c_c:F-Li-Ni-O,12.0,"Invalid WP multiplicities - A2B2CD_tP12_129_3c_3c_c_c:F-Li-Ni-O, expected Li3NiOF3 to be Li2NiOF2" +mp-761152,LiNiOF2,-5.3947522675,-2.1030110289,0.1089978953,0.1089978953,GGA+U,P2_1/c,A2BCD_mP20_14_2e_e_ad_e:F-Li-Ni-O,20.0,"Invalid WP multiplicities - A2BCD_mP20_14_5e_e_2ad_e:F-Li-Ni-O, expected Li2Ni3(OF5)2 to be LiNiOF2" +mp-761272,Li3Ni(OF)2,-5.4029977497,-2.25009267,0.082193352,0.082193352,GGA+U,P2/c,A2B3CD2_mP16_13_g_e2f_e_g:F-Li-Ni-O,32.0,A2B3CD2_mP16_13_g_e2f_e_g:F-Li-Ni-O +mp-1290913,Li3Ni(OF)2,-5.3984962491,-2.2455911694,0.0866948526,0.0866948526,GGA+U,C2/c,A2B3CD2_mC64_15_2f_2e2f_2e_2f:F-Li-Ni-O,32.0,"Invalid WP multiplicities - A2B3CD2_mC64_15_7f_4e2f_2e_5f:F-Li-Ni-O, expected Li4NiO5F7 to be Li3Ni(OF)2" +mp-1189066,Y5Si3H,-6.5285539194,-0.7506610637000001,0.0,-0.0162226354,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:H-Si-Y,18.0,AB3C5_hP18_193_b_g_dg:H-Si-Y +mp-1210458,Na3YSi3(HO2)6,-6.7084193436,-2.4513544681,0.0,-0.001353241,GGA,P2_12_12_1,A6B3C12D3E_oP100_19_6a_3a_12a_3a_a:H-Na-O-Si-Y,100.0,A6B3C12D3E_oP100_19_6a_3a_12a_3a_a:H-Na-O-Si-Y +mp-1222389,LiFeSO4F,-6.7122353263,-2.1855318567,0.0092237952,0.0092237952,GGA+U,P1,ABCD4E_aP16_1_2a_2a_2a_8a_2a:F-Fe-Li-O-S,16.0,ABCD4E_aP16_1_2a_2a_2a_8a_2a:F-Fe-Li-O-S +mp-943492,LiFeSO4F,-6.7148126222,-2.1881091527,0.0066464992,0.0066464992,GGA+U,P-1,ABCD4E_aP16_2_i_ab_i_4i_i:F-Fe-Li-O-S,32.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_2a2b_i_4i_i:F-Fe-Li-O-S, expected LiFe2SO4F to be LiFeSO4F" +mp-1104492,FeSO4F,-6.8775432164,-1.9768710894,0.0096306982,0.008069219,GGA+U,P-1,ABC4D_aP14_2_i_bc_4i_i:F-Fe-O-S,14.0,ABC4D_aP14_2_i_bc_4i_i:F-Fe-O-S +mp-1103970,FeSO4F,-6.8871739146,-1.9865017876,0.0,-0.0015614792,GGA+U,C2/c,ABC4D_mC28_15_e_c_2f_e:F-Fe-O-S,28.0,ABC4D_mC28_15_e_c_2f_e:F-Fe-O-S +mp-775852,Li4Sb2C4SO16,-6.95859065,-1.918152681,0.0956682303,0.0956682303,GGA,P1,A4B4C16DE2_aP54_1_8a_8a_32a_2a_4a:C-Li-O-S-Sb,54.0,A4B4C16DE2_aP54_1_8a_8a_32a_2a_4a:C-Li-O-S-Sb +mp-754902,LiSbCSO7,-6.8032220059,-1.8914165109,0.0676615614,0.0676615614,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-S-Sb,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-S-Sb, expected LiSbCSO13 to be LiSbCSO7" +mp-1204600,K3Ti4Ge3O20,-7.0501269498,-2.1262595266,0.271721043,0.271721043,GGA,P-4b2,A3B3C20D4_tP60_117_ah_dg_5i_i:Ge-K-O-Ti,60.0,A3B3C20D4_tP60_117_ah_dg_5i_i:Ge-K-O-Ti +mp-680158,K2Ti(GeO3)3,-6.9482115697,-2.3811734445,0.0696195176,0.0696195176,GGA,P-3c1,A3B2C9D_hP90_165_fg_g_f4g_bd:Ge-K-O-Ti,90.0,"Invalid WP multiplicities - A3B2C9D_hP90_165_4f4g_g_5f40g_2b3d:Ge-K-O-Ti, expected K6Ti8(Ge12O85)3 to be K2Ti(GeO3)3" +mp-18203,KGe2(PO4)3,-7.2578937047,-2.4825255541,0.0,-0.0061609826,GGA,R-3,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-K-O-P,36.0,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-K-O-P +mp-14383,KGePO5,-6.9547043166,-2.4696827084,0.0,-0.0085499426,GGA,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:Ge-K-O-P,64.0,"Invalid WP multiplicities - ABC5D_oP64_33_2a_3a_13a_2a:Ge-K-O-P, expected K3Ge2P2O13 to be KGePO5" +mp-1211716,K2TiGe(PO5)2,-7.4611253467,-2.7715747285,0.0,-0.0104064602,GGA,Pna2_1,AB2C10D2E_oP64_33_a_2a_10a_2a_a:Ge-K-O-P-Ti,64.0,AB2C10D2E_oP64_33_a_2a_10a_2a_a:Ge-K-O-P-Ti +mp-768127,NaSnPCO7,-7.2001881359,-2.2364712153,0.0368239792,0.0368239792,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Sn,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Sn, expected NaSnPCO13 to be NaSnPCO7" +mp-768209,NaSnPCO7,-7.2119265059,-2.2482095853,0.0250856092,0.0250856092,GGA,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Na-O-P-Sn,22.0,"Invalid WP multiplicities - ABC7DE_mP22_11_e_e_9e2f_e_e:C-Na-O-P-Sn, expected NaSnPCO13 to be NaSnPCO7" +mp-768172,Na2SnPCO7,-6.8571585729,-2.1968742879,0.076099222,0.076099222,GGA,P2_1,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Na-O-P-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_4_a_3a_13a_a_a:C-Na-O-P-Sn, expected Na3SnPCO13 to be Na2SnPCO7" +mp-768137,Na2SnPCO7,-6.8773314083,-2.2170471233,0.0559263866,0.0559263866,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Sn, expected Na2SnPCO13 to be Na2SnPCO7" +mp-769373,Na6Sn2P(CO4)4,-6.7734935305,-2.0345528641,0.0749787535,0.0749787535,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:C-Na-O-P-Sn,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:C-Na-O-P-Sn, expected Na6Sn2P(CO27)4 to be Na6Sn2P(CO4)4" +mp-771335,Na3SnPCO7,-6.6342498042,-2.2307162109,0.0402426618,0.0402426618,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Na-O-P-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Na-O-P-Sn, expected Na5SnPCO13 to be Na3SnPCO7" +mp-754061,Na3SnPCO7,-6.6227952665,-2.2192616732,0.0516971995,0.0516971995,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-Sn, expected Na4SnPCO13 to be Na3SnPCO7" +mp-757172,Na3SnPCO7,-6.6368418742,-2.2333082809,0.0376505918,0.0376505918,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-Sn, expected Na4SnPCO13 to be Na3SnPCO7" +mp-776261,Na5Sn2P(CO4)4,-6.8724651198,-2.0115096186,0.0931201558,0.0931201558,GGA,C2/c,A4B5C16DE2_mC112_15_2f_e2f_8f_e_ac:C-Na-O-P-Sn,56.0,"Invalid WP multiplicities - A4B5C16DE2_mC112_15_5f_2e4f_30f_e_2a2c:C-Na-O-P-Sn, expected Na10Sn4P(CO6)10 to be Na5Sn2P(CO4)4" +mp-1199971,Rb2PH4Se3O2,-4.5833382654,-1.1394727082,0.0,-0.0014655521,GGA,Pnnm,A4B2CD2E3_oP48_58_2h_h_g_abg_gh:H-O-P-Rb-Se,48.0,A4B2CD2E3_oP48_58_2h_h_g_abg_gh:H-O-P-Rb-Se +mp-686677,Rb2PH3SeO8,-5.9133456493,-1.8718809857,0.0049867737,-0.000816023,GGA,P-1,A3B8CD2E_aP30_2_be2i_8i_i_2i_i:H-O-P-Rb-Se,30.0,"Invalid WP multiplicities - A3B8CD2E_aP30_2_be4i_15i_i_3i_i:H-O-P-Rb-Se, expected Rb3PH5SeO15 to be Rb2PH3SeO8" +mp-753854,Rb2PH3SeO8,-5.918332423,-1.8768677594,0.0,-0.0058027967,GGA,Pc,A3B8CD2E_mP30_7_3a_8a_a_2a_a:H-O-P-Rb-Se,30.0,"Invalid WP multiplicities - A3B8CD2E_mP30_7_6a_16a_a_4a_a:H-O-P-Rb-Se, expected Rb4PH6SeO16 to be Rb2PH3SeO8" +mp-24126,Sr3Al2(HO)12,-5.9769181414,-2.0930350691,0.0025293063,0.0025293063,GGA,Ia-3d,A2B12C12D3_cI232_230_a_h_h_c:Al-H-O-Sr,116.0,A2B12C12D3_cI232_230_a_h_h_c:Al-H-O-Sr +mp-1208739,SrAlHOF4,-5.4925960009,-2.8150460122,0.6755035194,0.6755035194,GGA,P2_1/c,AB4CDE_mP32_14_e_4e_e_e_e:Al-F-H-O-Sr,32.0,AB4CDE_mP32_14_e_4e_e_e_e:Al-F-H-O-Sr +mp-2219150,MgW2(OF4)2,-6.85764192,-2.8036611760000003,0.1266520781,0.1266520781,GGA+U,P1,A8BC2D2_aP13_1_8a_a_2a_2a:F-Mg-O-W,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:F-Mg-O-W +mp-2218891,MgW2(OF4)2,-6.8151425646,-2.7611618206,0.1691514335,0.1691514335,GGA+U,P1,A8BC2D2_aP13_1_8a_a_2a_2a:F-Mg-O-W,13.0,A8BC2D2_aP13_1_8a_a_2a_2a:F-Mg-O-W +mp-2218843,MgW2(OF4)2,-6.8258099515,-2.7718292075,0.1584840466,0.1584840466,GGA+U,P-1,A8BC2D2_aP13_2_4i_a_i_i:F-Mg-O-W,13.0,"Invalid WP multiplicities - A8BC2D2_aP13_2_7i_a_i_i:F-Mg-O-W, expected MgW2(OF7)2 to be MgW2(OF4)2" +mp-2240230,MgW2(OF)4,-7.6220301145,-2.6266472759,0.1365978276,0.1365978276,GGA+U,C2,A4BC4D2_mC22_5_2c_a_2c_c:F-Mg-O-W,11.0,"Invalid WP multiplicities - A4BC4D2_mC22_5_3c_a_2c_c:F-Mg-O-W, expected MgW2(O2F3)2 to be MgW2(OF)4" +mp-2240281,MgW2(OF)4,-7.4999913509,-2.5046085123,0.2586365912,0.2586365912,GGA+U,Cm,A4BC4D2_mC22_8_4a_a_2b_2a:F-Mg-O-W,11.0,"Invalid WP multiplicities - A4BC4D2_mC22_8_4a_a_4b_2a:F-Mg-O-W, expected MgW2(O2F)4 to be MgW2(OF)4" +mp-2239892,MgW2(OF)4,-7.4092966218,-2.4139137832,0.3493313203,0.3493313203,GGA+U,Pmm2,A4BC4D2_oP11_25_ef_c_abg_ab:F-Mg-O-W,11.0,"Invalid WP multiplicities - A4BC4D2_oP11_25_ef_c_ab2g_ab:F-Mg-O-W, expected MgW2(O3F2)2 to be MgW2(OF)4" +mp-2225303,MgWOF4,-6.8271352529,-2.9484188441,0.1413578461,0.1413578461,GGA+U,I-4,A4BCD_tI14_82_g_c_a_b:F-Mg-O-W,7.0,A4BCD_tI14_82_g_c_a_b:F-Mg-O-W +mp-2232197,MgCu2W2(O3F2)2,-6.960241736,-2.0908416035,0.2177098851,0.2177098851,GGA+U,Pm,A2B4CD6E2_mP15_6_c_2c_a_ab2c_ab:Cu-F-Mg-O-W,15.0,"Invalid WP multiplicities - A2B4CD6E2_mP15_6_c_3c_a_ab3c_ab:Cu-F-Mg-O-W, expected MgCu2W2(O4F3)2 to be MgCu2W2(O3F2)2" +mp-2232212,MgCu2W2(O3F2)2,-7.0640046027,-2.1946044702,0.1139470185,0.1139470185,GGA+U,Cm,A2B4CD6E2_mC30_8_2a_4a_a_6a_2a:Cu-F-Mg-O-W,15.0,A2B4CD6E2_mC30_8_2a_4a_a_6a_2a:Cu-F-Mg-O-W +mp-555219,CuWO3F2,-7.1402857807,-2.0373770709,0.0090294701,0.0090294701,GGA+U,P2_1/m,AB2C3D_mP14_11_a_f_ef_e:Cu-F-O-W,14.0,"Invalid WP multiplicities - AB2C3D_mP14_11_a_f_e2f_e:Cu-F-O-W, expected CuWO5F2 to be CuWO3F2" +mp-1198324,Li2B8SeO15,-7.83085928,-2.6405045859,0.0,-0.0150036085,GGA,P2_1/c,A8B2C15D_mP104_14_8e_2e_15e_e:B-Li-O-Se,104.0,A8B2C15D_mP104_14_8e_2e_15e_e:B-Li-O-Se +mp-770832,Li2BSeO4,-6.3444113087,-2.1219233304,0.057525485,0.057525485,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:B-Li-O-Se,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:B-Li-O-Se, expected Li3BSeO11 to be Li2BSeO4" +mp-30100,Li2B2Se5,-4.6243538083,-0.7736664013,0.0,-0.0021226792,GGA,C2/c,A2B2C5_mC36_15_f_f_e2f:B-Li-Se,18.0,A2B2C5_mC36_15_f_f_e2f:B-Li-Se +mp-849266,LiB3H3SeO9,-6.6968853135,-1.9826861256,0.0953172369,0.0953172369,GGA,Pbcn,A3B3CD9E_oP136_60_3d_3d_2c_9d_d:B-H-Li-O-Se,136.0,"Invalid WP multiplicities - A3B3CD9E_oP136_60_9d_9d_6c_33d_d:B-H-Li-O-Se, expected Li3B9H9SeO33 to be LiB3H3SeO9" +mp-778385,B3H3SeO9,-6.7881680087,-1.8986390508,0.0241927461,0.0241927461,GGA,Pbcn,A3B3C9D_oP128_60_3d_3d_9d_d:B-H-O-Se,128.0,"Invalid WP multiplicities - A3B3C9D_oP128_60_9d_9d_33d_d:B-H-O-Se, expected B9H9SeO33 to be B3H3SeO9" +mp-562774,CoSb2S2(OF3)4,-5.4617243355,-2.3015470753,0.0012233671,0.0012233671,GGA+U,P-1,AB12C4D2E2_aP21_2_a_6i_2i_i_i:Co-F-O-S-Sb,42.0,AB12C4D2E2_aP21_2_a_6i_2i_i_i:Co-F-O-S-Sb +mp-1105290,Co3Sb4(OF)6,-6.1759960984,-2.0186295501,0.020191947,0.020191947,GGA+U,I-43m,A3B6C6D4_cI38_217_b_d_e_c:Co-F-O-Sb,38.0,A3B6C6D4_cI38_217_b_d_e_c:Co-F-O-Sb +mp-1519311,Sr2VWO6,-8.299964919,-2.7898493716,0.0053563597,0.0053563597,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-W,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-W +mp-631384,Sr2VW,-4.81865794,1.5365978617,1.5708653917,1.5708653917,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Sr-V-W,4.0,A2BC_cF16_225_c_a_b:Sr-V-W +mp-1247751,BeAlBO3F2,-7.2687891062,-3.1653635394,0.1862850393,0.1862850393,GGA,P3,ABCD2E3_hP8_143_a_c_b_ab_d:Al-B-Be-F-O,8.0,ABCD2E3_hP8_143_a_c_b_ab_d:Al-B-Be-F-O +mp-554023,Be2BO3F,-7.5952137164,-3.1795333447,0.0,-0.0886031198,GGA,R-3c,AB2CD3_hR42_167_a_c_b_e:B-Be-F-O,14.0,AB2CD3_hR42_167_a_c_b_e:B-Be-F-O +mp-1047801,MgP3W3O13,-8.3539634795,-2.3028869042,0.1730668445,0.1730668445,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Mg-O-P-W,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Mg-O-P-W, expected MgP3W5O34 to be MgP3W3O13" +mp-1233126,MgP8(WO12)2,-7.9412657666,-2.5257374913,0.053646746,0.053646746,GGA+U,C2,AB24C8D2_mC70_5_a_12c_4c_c:Mg-O-P-W,35.0,"Invalid WP multiplicities - AB24C8D2_mC70_5_a_24c_5c_c:Mg-O-P-W, expected MgP10(WO24)2 to be MgP8(WO12)2" +mp-1045917,MgP4WO12,-7.7779522839,-2.468403126,0.1691547957,0.1691547957,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-W,36.0,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-W +mp-1041003,MgP2W2O9,-8.2895450348,-2.3707347545,0.1507607692,0.1507607692,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Mg-O-P-W,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Mg-O-P-W, expected MgP2W2O11 to be MgP2W2O9" +mp-1044085,MgP4W3O14,-8.0274526298,-2.0555652332,0.4131123375,0.4131123375,GGA+U,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-W,44.0,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-W +mp-1044122,MgP2(WO5)2,-8.261258576,-2.4072564003,0.149890894,0.149890894,GGA+U,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Mg-O-P-W,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_70_a_2e8h_e_d:Mg-O-P-W, expected MgP2(WO18)2 to be MgP2(WO5)2" +mp-1342565,MgP2WO7,-7.8297467568,-2.3741252775,0.2671887395,0.2671887395,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-W,22.0,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-W +mp-1042068,MgP2WO7,-7.7530649491,-2.2974434698,0.3438705473,0.3438705473,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-W,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_8i_2i_i:Mg-O-P-W, expected MgP2WO8 to be MgP2WO7" +mp-1048590,MgP2WO7,-7.8628066286,-2.4071851494,0.2341288677,0.2341288677,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mg-O-P-W,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Mg-O-P-W, expected MgP7WO23 to be MgP2WO7" +mp-1044375,MgTiP3WO12,-8.2235456208,-2.7760970457000003,0.0498806709,0.0498806709,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mg-O-P-Ti-W,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mg-O-P-Ti-W, expected MgTiP3WO54 to be MgTiP3WO12" +mp-767946,Mn2V3Sb(PO4)6,-8.1149204583,-2.5342233988,0.0450373515,0.0450373515,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Mn-O-P-Sb-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Mn-O-P-Sb-V, expected Mn2V3Sb(PO10)6 to be Mn2V3Sb(PO4)6" +mp-756472,V3Sb(PO4)6,-7.8907737624,-2.5207424812,0.0050774002,0.0050774002,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-Sb-V,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-Sb-V, expected V3Sb(PO10)6 to be V3Sb(PO4)6" +mp-754190,VSb3(PO4)4,-7.4540461838,-2.3594153839,0.0832537785,0.0832537785,GGA+U,Pm,A16B4C3D_mP24_6_4a4b4c_2a2b_a2b_a:O-P-Sb-V,24.0,A16B4C3D_mP24_6_4a4b4c_2a2b_a2b_a:O-P-Sb-V +mp-755953,VSb(PO4)2,-7.7662664192,-2.4651812514,0.0638997596,0.0638997596,GGA+U,P2_1/m,A8B2CD_mP24_11_4e2f_2e_e_e:O-P-Sb-V,24.0,A8B2CD_mP24_11_4e2f_2e_e_e:O-P-Sb-V +mp-770673,V5Sb(PO4)6,-8.1212333347,-2.5448756764,0.0994211326,0.0994211326,GGA+U,R3,A24B6CD5_hR108_146_8b_2b_a_5a:O-P-Sb-V,36.0,"Invalid WP multiplicities - A24B6CD5_hR108_146_20b_2b_a_5a:O-P-Sb-V, expected V5Sb(PO10)6 to be V5Sb(PO4)6" +mp-764734,Mn3VSb2(PO4)6,-7.8526299125,-2.4073993976,0.0817354243,0.0817354243,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Mn-O-P-Sb-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Mn-O-P-Sb-V, expected Mn3VSb2(PO10)6 to be Mn3VSb2(PO4)6" +mp-773504,V3Sb2(PO4)6,-7.7575233477,-2.4229500677,0.1099070186,0.1099070186,GGA+U,R3,A24B6C2D3_hR105_146_8b_2b_2a_3a:O-P-Sb-V,35.0,"Invalid WP multiplicities - A24B6C2D3_hR105_146_20b_2b_2a_3a:O-P-Sb-V, expected V3Sb2(PO10)6 to be V3Sb2(PO4)6" +mp-754862,V3Sb(PO4)4,-8.0623656033,-2.5548260676,0.0606667919,0.0606667919,GGA+U,Pm,A16B4CD3_mP24_6_4a4b4c_2a2b_a_a2b:O-P-Sb-V,24.0,A16B4CD3_mP24_6_4a4b4c_2a2b_a_a2b:O-P-Sb-V +mp-767358,MnV3Sb2(PO4)6,-7.921921005,-2.4810298913,0.0731409893,0.0731409893,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Mn-O-P-Sb-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Mn-O-P-Sb-V, expected MnV3Sb2(PO10)6 to be MnV3Sb2(PO4)6" +mp-772810,V2Sb(PO4)3,-7.9401242428,-2.5014028297,0.0852860803,0.0852860803,GGA+U,R-3c,A12B3CD2_hR108_167_2f_e_b_c:O-P-Sb-V,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_167_13f_e_b_c:O-P-Sb-V, expected V2Sb(PO26)3 to be V2Sb(PO4)3" +mp-775206,VSb3(PO4)6,-7.4750639885,-2.3964976974,0.0131055007,0.0131055007,GGA+U,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-Sb-V,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-Sb-V, expected VSb3(PO10)6 to be VSb3(PO4)6" +mp-1522096,NaLaVWO6,-8.430180797,-2.6321107004,0.1083165688,0.1083165688,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-V-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:La-Na-O-V-W +mp-558674,K2NaFeF6,-5.302543297,-2.9543214768,0.0,-0.0380895848,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-K-Na +mp-1111014,KNa2FeF6,-5.073178268,-2.7037438131,0.2231256797,0.2231256797,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Fe-K-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Fe-K-Na +mp-694997,K4Na2FeH3F12,-4.88582825,-2.6734376441,0.0284137523,0.0284137523,GGA+U,P2,A12BC3D4E2_mP22_3_6e_a_de_2e_bc:F-Fe-H-K-Na,22.0,"Invalid WP multiplicities - A12BC3D4E2_mP22_3_8e_a_ce_4e_bd:F-Fe-H-K-Na, expected K8Na2FeH3F16 to be K4Na2FeH3F12" +mp-20017,K3Ir(NO2)6,-4.8431708436,0.6817775703000001,1.8739460275,1.8739460275,GGA,Fm-3m,AB3C6D12_cF88_225_a_bc_e_h:Ir-K-N-O,22.0,AB3C6D12_cF88_225_a_bc_e_h:Ir-K-N-O +mp-1195936,KIrNCl5O2,-4.5907518165,-0.8486129391,0.1989485061,0.1989485061,GGA,Pnma,A5BCDE2_oP40_62_c2d_c_c_c_2c:Cl-Ir-K-N-O,40.0,A5BCDE2_oP40_62_c2d_c_c_c_2c:Cl-Ir-K-N-O +mp-1245370,KIrN2,-6.5009400183,0.154515726,0.4330757623,0.4330757623,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Ir-K-N,64.0,ABC2_oP64_61_2c_2c_4c:Ir-K-N +mp-559513,K2NClO3,-4.7043347871,-0.8120639853,0.8527548639,0.8527548639,GGA,Pnma,AB2CD3_oP28_62_c_2c_c_cd:Cl-K-N-O,28.0,"Invalid WP multiplicities - AB2CD3_oP28_62_c_4c_c_4c4d:Cl-K-N-O, expected K4NClO12 to be K2NClO3" +mp-1246301,K2IrN2,-5.39854024,0.1479041448,0.3707521739,0.3707521739,GGA,Immm,AB2C2_oI10_71_a_e_e:Ir-K-N,5.0,AB2C2_oI10_71_a_e_e:Ir-K-N +mp-14131,K2Pd(NO2)4,-6.4309646798,-1.0762867402,0.0576832563,0.0576832563,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_ab:K-N-O-Pd,60.0,"Invalid WP multiplicities - A2B4C8D_mP60_14_2e_5e_10e_ab:K-N-O-Pd, expected K2Pd(NO2)5 to be K2Pd(NO2)4" +mp-644841,K2Pd(NO2)4,-6.4038017103,-1.0491237707,0.0848462258,0.0848462258,GGA,P2_1/c,A2B4C8D_mP60_14_2e_4e_8e_ab:K-N-O-Pd,60.0,"Invalid WP multiplicities - A2B4C8D_mP60_14_5e_15e_29e_ab:K-N-O-Pd, expected K5PdN15O29 to be K2Pd(NO2)4" +mp-1245649,KPdN,-4.7151210592,0.1604708348,0.3461775257,0.3461775257,GGA,Pnma,ABC_oP12_62_c_c_c:K-N-Pd,12.0,ABC_oP12_62_c_c_c:K-N-Pd +mp-1245656,KPdN,-4.7792679467,0.0963239473,0.2820306382,0.2820306382,GGA,P4_2/mmc,ABC_tP6_131_e_c_b:K-N-Pd,6.0,ABC_tP6_131_e_c_b:K-N-Pd +mp-1245665,KPdN,-4.7462644433,0.1293274507,0.3150341416,0.3150341416,GGA,P-6m2,ABC_hP3_187_c_a_b:K-N-Pd,3.0,ABC_hP3_187_c_a_b:K-N-Pd +mp-1204303,Cs2K2Pd2N8O25,-6.2965259412,-1.0470248273,0.0458428824,0.0458428824,GGA,C2/c,A2B2C8D25E2_mC156_15_f_f_4f_e12f_f:Cs-K-N-O-Pd,78.0,A2B2C8D25E2_mC156_15_f_f_4f_e12f_f:Cs-K-N-O-Pd +mp-556518,K2Pd(NO3)4,-6.4069929247,-1.1382074543,0.0,-0.0282847216,GGA,P2_1/c,A2B4C12D_mP76_14_2e_4e_12e_e:K-N-O-Pd,76.0,"Invalid WP multiplicities - A2B4C12D_mP76_14_5e_14e_43e_e:K-N-O-Pd, expected K5PdN14O43 to be K2Pd(NO3)4" +mp-1197132,K2Pd(NO3)4,-6.3977027542,-1.1289172837,0.0092901705,-0.0189945511,GGA,P2_1/c,A2B4C12D_mP38_14_e_2e_6e_a:K-N-O-Pd,38.0,A2B4C12D_mP38_14_e_2e_6e_a:K-N-O-Pd +mp-1197263,AgH10Rh(N3O5)2,-5.9000917063,-0.771163814,0.1684618354,0.1684618354,GGA,P2_1/c,AB10C6D10E_mP112_14_e_10e_6e_10e_e:Ag-H-N-O-Rh,112.0,AB10C6D10E_mP112_14_e_10e_6e_10e_e:Ag-H-N-O-Rh +mp-601817,Cu4H3C2N5,-6.2200784,-0.0261633696,0.1610033713,0.1610033713,GGA,P6_3mc,A2B4C3D5_hP28_186_ab_bc_c_2a3b:C-Cu-H-N,28.0,"Invalid WP multiplicities - A2B4C3D5_hP28_186_2a2b_2b3c_c_3a6b:C-Cu-H-N, expected Cu11H3C4N9 to be Cu4H3C2N5" +mp-570909,CuTe4H12C4N,-4.8602321559,-0.1949458069,0.0504564171,0.0504564171,GGA,P2_1/c,A4BC12DE4_mP88_14_4e_e_12e_e_4e:C-Cu-H-N-Te,88.0,"Invalid WP multiplicities - A4BC12DE4_mP88_14_13e_e_45e_e_16e:C-Cu-H-N-Te, expected CuTe16H45C13N to be CuTe4H12C4N" +mp-1204893,CuH6(CN2)4,-6.8262995084,-0.0861845447,0.1896401261,0.1896401261,GGA,P2_1/c,A4BC6D8_mP38_14_2e_a_3e_4e:C-Cu-H-N,38.0,A4BC6D8_mP38_14_2e_a_3e_4e:C-Cu-H-N +mp-600207,CuH12(C2N5)2,-6.1205901559,-0.0060890289,0.3132487606,0.3132487606,GGA,P2_1/c,A4BC12D10_mP108_14_4e_ab_12e_10e:C-Cu-H-N,108.0,"Invalid WP multiplicities - A4BC12D10_mP108_14_14e_2a2b_47e_37e:C-Cu-H-N, expected Cu2H47C14N37 to be CuH12(C2N5)2" +mp-1206388,NaAgC2,-5.2357307275,0.4173723429,0.4549325373,0.4549325373,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Ag-C-Na,4.0,AB2C_tP4_123_a_g_d:Ag-C-Na +mp-6855,K2NaAg3(CN)6,-6.6364294089,-0.112431981,0.2072177166,0.2072177166,GGA,P-31m,A3B6C2D6E_hP18_162_g_k_c_k_a:Ag-C-K-N-Na,18.0,A3B6C2D6E_hP18_162_g_k_c_k_a:Ag-C-K-N-Na +mp-568422,NaAg(CN)2,-6.6244244908,-0.0768574689,0.216649958,0.216649958,GGA,C2/c,AB2C2D_mC24_15_c_f_f_e:Ag-C-N-Na,12.0,AB2C2D_mC24_15_a_f_f_e:Ag-C-N-Na +mp-1246643,KFe5N4,-7.7347205505,-0.0540720808,0.197818663,0.197818663,GGA,Pbca,A5BC4_oP80_61_5c_c_4c:Fe-K-N,80.0,A5BC4_oP80_61_5c_c_4c:Fe-K-N +mp-1247327,KFeN,-6.1283894133,-0.156084386,0.0536735057,0.0536735057,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-K-N,12.0,ABC_oP12_62_c_c_c:Fe-K-N +mp-1247558,KFeN,-5.9454680733,0.026836954,0.2365948457,0.2365948457,GGA,R3m,ABC_hR9_160_a_a_a:Fe-K-N,3.0,ABC_hR9_160_a_a_a:Fe-K-N +mp-5256,KCuC2,-5.640296495,0.2764376555,0.2959983019,0.2959983019,GGA,P4_2/mmc,A2BC_tP8_131_j_a_f:C-Cu-K,8.0,A2BC_tP8_131_j_a_f:C-Cu-K +mp-568816,K2FeCu(CN)6,-7.6326865231,-0.1213747557,0.1838512197,0.1838512197,GGA,P-1,A6BCD2E6_aP16_2_3i_a_e_i_3i:C-Cu-Fe-K-N,16.0,"Invalid WP multiplicities - A6BCD2E6_aP16_2_5i_a_e_i_5i:C-Cu-Fe-K-N, expected K2FeCu(CN)10 to be K2FeCu(CN)6" +mp-601952,K2FeCu(CN)6,-7.5969474312,-0.0856356638,0.2195903116,0.2195903116,GGA,Fm-3m,A6BCD2E6_cF64_225_e_a_b_c_e:C-Cu-Fe-K-N,16.0,A6BCD2E6_cF64_225_e_a_b_c_e:C-Cu-Fe-K-N +mp-6610,K3Cu(CN)4,-6.8346733429,-0.3604195778,0.0576031662,0.0576031662,GGA,R3c,A4BC3D4_hR72_161_ab_a_b_ab:C-Cu-K-N,24.0,"Invalid WP multiplicities - A4BC3D4_hR72_161_a2b_a_b_a2b:C-Cu-K-N, expected K3Cu(CN)7 to be K3Cu(CN)4" +mp-6802,KCu(CN)2,-6.9176687067,-0.1943476313,0.1276751494,0.1276751494,GGA,P2_1/c,A2BCD2_mP24_14_2e_e_e_2e:C-Cu-K-N,24.0,"Invalid WP multiplicities - A2BCD2_mP24_14_3e_e_e_4e:C-Cu-K-N, expected KCuC3N4 to be KCu(CN)2" +mp-1212014,K2FeCuC12,-6.5952488963,1.250626834,1.2799678037,1.2799678037,GGA,Fm-3m,A12BCD2_cF64_225_2e_a_b_c:C-Cu-Fe-K,16.0,A12BCD2_cF64_225_2e_a_b_c:C-Cu-Fe-K +mp-541627,K3Fe(CN)6,-7.5797096325,-0.2551983477,0.1220276001,0.1220276001,GGA,P2_1/c,A6BC3D6_mP32_14_3e_a_ce_3e:C-Fe-K-N,32.0,A6BC3D6_mP32_14_3e_a_ce_3e:C-Fe-K-N +mp-1201023,K3Fe(CN)6,-7.5797567141,-0.2552454293,0.1219805185,0.1219805185,GGA,P2_1/c,A6BC3D6_mP64_14_6e_e_3e_6e:C-Fe-K-N,64.0,A6BC3D6_mP64_14_6e_e_3e_6e:C-Fe-K-N +mp-621921,K3Fe(CN)6,-7.5767764286,-0.2522651438,0.124960804,0.124960804,GGA,Pbcn,A6BC3D6_oP64_60_3d_c_cd_3d:C-Fe-K-N,64.0,"Invalid WP multiplicities - A6BC3D6_oP64_60_13d_c_3c3d_16d:C-Fe-K-N, expected K9Fe(C13N16)2 to be K3Fe(CN)6" +mp-1520891,KCaDyWO6,-7.918467643,-2.8823628265,0.1026289996,0.1026289996,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Dy-K-O-W +mp-1181950,Cd2Se3N2O15,-5.2530521089,-0.5618323601,0.5311314428,0.5311314428,GGA,P2_1/m,A2B2C15D3_mP44_11_f_f_3e6f_ef:Cd-N-O-Se,44.0,A2B2C15D3_mP44_11_f_f_3e6f_ef:Cd-N-O-Se +mp-1197531,Cd2Se3N2O15,-5.1510298334,-0.4598100847,0.6331537182,0.6331537182,GGA,P2_1/m,A2B2C15D3_mP44_11_f_f_3e6f_ef:Cd-N-O-Se,44.0,A2B2C15D3_mP44_11_f_f_3e6f_ef:Cd-N-O-Se +mp-722862,CdH3NO5,-5.5984294449,-1.1813288072,0.0,-0.0161779723,GGA,Pbca,AB3CD5_oP80_61_c_3c_c_5c:Cd-H-N-O,80.0,AB3CD5_oP80_61_c_3c_c_5c:Cd-H-N-O +mp-1213988,Cd5H2(NO7)2,-4.6592205835,-0.4276322053,0.6104469107,0.6104469107,GGA,C2/m,A5B2C2D14_mC46_12_ahi_i_i_3i2j:Cd-H-N-O,23.0,A5B2C2D14_mC46_12_ahi_i_i_3i2j:Cd-H-N-O +mp-1380156,CdH8(NO5)2,-5.6263554255,-1.1404232787,0.0198750486,0.0198750486,GGA,P1,AB8C2D10_aP42_1_2a_16a_4a_20a:Cd-H-N-O,42.0,AB8C2D10_aP42_1_2a_16a_4a_20a:Cd-H-N-O +mp-703542,CdH8(NO5)2,-5.6367024874,-1.1507703406,0.0095279867,0.0095279867,GGA,Cc,AB8C2D10_mC84_9_a_8a_2a_10a:Cd-H-N-O,42.0,AB8C2D10_oF168_43_a_4b_b_5b:Cd-H-N-O +mp-1182065,CdH8(NO5)2,-5.6367263007,-1.1507941539,0.0095041734,0.0095041734,GGA,Fdd2,AB8C2D10_oF168_43_a_4b_b_5b:Cd-H-N-O,42.0,AB8C2D10_oF168_43_a_4b_b_5b:Cd-H-N-O +mp-1182594,CdH8(NO5)2,-5.2004649581,-0.7145328113,0.445765516,0.445765516,GGA,Fdd2,AB8C2D10_oF168_43_a_4b_b_5b:Cd-H-N-O,42.0,AB8C2D10_oF168_43_a_4b_b_5b:Cd-H-N-O +mp-723054,CdHSeNO6,-5.4991236599,-0.9163082124,0.2576922651,0.2576922651,GGA,Pbca,ABCD6E_oP80_61_c_c_c_6c_c:Cd-H-N-O-Se,80.0,ABCD6E_oP80_61_c_c_c_6c_c:Cd-H-N-O-Se +mp-722467,CdH18Se4(N2O7)2,-5.3411436888,-0.9856503683,0.1184396173,0.1184396173,GGA,P-1,AB18C4D14E4_aP41_2_a_9i_2i_7i_2i:Cd-H-N-O-Se,41.0,AB18C4D14E4_aP41_2_a_9i_2i_7i_2i:Cd-H-N-O-Se +mp-768250,LiPrPCO7,-7.7020045077,-2.6148574532,0.1200831101,0.1200831101,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-Pr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-P-Pr, expected LiPrPCO13 to be LiPrPCO7" +mp-505647,KGd(WO4)2,-9.3864138346,-2.6633895565,0.0,-0.0237192435,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Gd-K-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Gd-K-O-W +mp-553938,KGd(WO4)2,-9.386063445,-2.6630391669,0.0003503896,-0.023368854,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Gd-K-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mC48_15_e_e_14f_f:Gd-K-O-W, expected KGd(WO14)2 to be KGd(WO4)2" +mp-1522247,KGdSnWO6,-8.63738804,-2.4539524861,0.1414653353,0.1414653353,GGA+U,P4_2/mmc,ABC6DE_tP20_131_c_e_iq_f_d:Gd-K-O-Sn-W,20.0,ABC6DE_tP20_131_c_e_iq_f_d:Gd-K-O-Sn-W +mp-1522249,KGdSnWO6,-8.6289607,-2.445525146,0.1498926753,0.1498926753,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Gd-K-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Gd-K-O-Sn-W +mp-1212715,GaP2H11O12,-6.0054627948,-1.7541184846000002,0.0147359087,0.0147359087,GGA,P2_1/c,AB11C12D2_mP52_14_a_c5e_6e_e:Ga-H-O-P,52.0,AB11C12D2_mP52_14_a_c5e_6e_e:Ga-H-O-P +mp-1233483,MgGa4P6(HO3)6,-6.4819740566,-2.0365674208,0.0719803204,0.0719803204,GGA,Pm,A4B6CD18E6_mP35_6_2c_3a3b_a_3a3b6c_3a3b:Ga-H-Mg-O-P,35.0,"Invalid WP multiplicities - A4B6CD18E6_mP35_6_3c_3a3b_a_3a3b11c_3a3b:Ga-H-Mg-O-P, expected MgGa6P6(H3O14)2 to be MgGa4P6(HO3)6" +mp-1233440,MgGa4P6(HO3)6,-6.3501764886,-1.9047698528,0.2037778884,0.2037778884,GGA,P-6,A4B6CD18E6_hP35_174_gh_jk_a_jk2l_jk:Ga-H-Mg-O-P,35.0,"Invalid WP multiplicities - A4B6CD18E6_hP35_174_2gh_2j2k_a_3j2k7l_2j2k:Ga-H-Mg-O-P, expected MgGa6P12(H4O19)3 to be MgGa4P6(HO3)6" +mp-1234872,MgGa4P6(HO3)6,-6.3657547711,-1.9203481354,0.1881996058,0.1881996058,GGA,P-6,A4B6CD18E6_hP35_174_gh_jk_a_jk2l_jk:Ga-H-Mg-O-P,35.0,"Invalid WP multiplicities - A4B6CD18E6_hP35_174_g2h_2j2k_a_3j2k7l_2j2k:Ga-H-Mg-O-P, expected MgGa6P12(H4O19)3 to be MgGa4P6(HO3)6" +mp-541857,GaP(H2O3)2,-6.222659267,-1.9149563523,0.0226295284,0.0226295284,GGA,Pbca,AB4C6D_oP96_61_c_4c_6c_c:Ga-H-O-P,96.0,AB4C6D_oP96_61_c_4c_6c_c:Ga-H-O-P +mp-24563,Ga2P3(HO3)3,-6.6000869159,-2.0710000864,0.0,-0.0057052649,GGA,P6_3/m,A2B3C9D3_hP34_176_f_h_hi_h:Ga-H-O-P,34.0,"Invalid WP multiplicities - A2B3C9D3_hP34_176_f_h_2hi_h:Ga-H-O-P, expected Ga2P3(HO4)3 to be Ga2P3(HO3)3" +mp-1191168,MgGaH4,-2.9683331825,0.0648801929,0.2120848546,0.2120848546,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ga-H-Mg,24.0,AB4C_mP24_14_e_4e_e:Ga-H-Mg +mp-1210600,MgGaH5,-3.2096212289,-0.1250489007,0.0011265236,0.0011265236,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Ga-H-Mg,28.0,AB5C_mP28_14_e_5e_e:Ga-H-Mg +mp-24465,GaP3(HO5)2,-7.0684554363,-2.3484340147,0.0,-0.0060601599,GGA,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Ga-H-O-P,64.0,AB2C10D3_mP64_14_e_2e_10e_3e:Ga-H-O-P +mp-721075,Ga2P3H11O13,-5.9915180717,-1.7183098198,0.0262298255,0.0262298255,GGA,P2_1,A2B11C13D3_mP58_4_2a_11a_13a_3a:Ga-H-O-P,58.0,A2B11C13D3_mP58_4_2a_11a_13a_3a:Ga-H-O-P +mp-24522,CuH2SO5,-5.8675413133,-1.4503688485,0.0,-0.0126321748,GGA,P-1,AB2C5D_aP18_2_be_2i_5i_i:Cu-H-O-S,18.0,AB2C5D_aP18_2_be_2i_5i_i:Cu-H-O-S +mp-720876,Cs2CuH12(SO7)2,-5.4915443171,-1.4873744576,0.080190436,0.080190436,GGA,P2_1/c,A2BC12D14E2_mP62_14_e_a_6e_7e_e:Cs-Cu-H-O-S,62.0,A2BC12D14E2_mP62_14_e_a_6e_7e_e:Cs-Cu-H-O-S +mp-542944,Cs2CuH12(SO7)2,-5.563726936,-1.5595570764,0.0080078172,0.0080078172,GGA,P2_1/c,A2BC12D14E2_mP62_14_e_a_6e_7e_e:Cs-Cu-H-O-S,62.0,A2BC12D14E2_mP62_14_e_a_6e_7e_e:Cs-Cu-H-O-S +mp-707170,CuH6SO7,-5.5921736983,-1.3775847793,0.0063647225,0.0063647225,GGA,Cc,AB6C7D_mC60_9_a_6a_7a_a:Cu-H-O-S,30.0,AB6C7D_mC60_9_a_6a_7a_a:Cu-H-O-S +mp-1192826,CuH6SO7,-5.5931935587,-1.3786046396,0.0053448622,0.0053448622,GGA,Cc,AB6C7D_mC60_9_a_6a_7a_a:Cu-H-O-S,30.0,AB6C7D_mC60_9_a_6a_7a_a:Cu-H-O-S +mp-1201234,CuH8S3O10,-5.5046100563,-1.2720077043,0.1125998305,0.1125998305,GGA,P2_1/c,AB8C10D3_mP88_14_e_8e_10e_3e:Cu-H-O-S,88.0,AB8C10D3_mP88_14_e_8e_10e_3e:Cu-H-O-S +mp-1202297,Cu4H6SO10,-5.5206724739,-1.2179810487,0.0401060495,0.0401060495,GGA,P2_1/c,A4B6C10D_mP84_14_4e_6e_10e_e:Cu-H-O-S,84.0,A4B6C10D_mP84_14_4e_6e_10e_e:Cu-H-O-S +mp-697994,Cu3H4SO8,-5.6090698137,-1.2604145796,0.0320857604,0.0320857604,GGA,Pnma,A3B4C8D_oP64_62_cd_2cd_4c2d_c:Cu-H-O-S,64.0,A3B4C8D_oP64_62_cd_2cd_4c2d_c:Cu-H-O-S +mp-1200155,Cu5H14(SO9)2,-5.5228949913,-1.2842412857,0.0242723818,0.0242723818,GGA,P-1,A5B14C18D2_aP39_2_abci_7i_9i_i:Cu-H-O-S,39.0,A5B14C18D2_aP39_2_abci_7i_9i_i:Cu-H-O-S +mp-605120,CuH10SO9,-4.6856674221,-0.5579000227,0.7975840448,0.7975840448,GGA,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-S,42.0,"Invalid WP multiplicities - AB10C9D_aP42_2_bc_18i_18i_i:Cu-H-O-S, expected CuH18SO18 to be CuH10SO9" +mp-720417,CuH10SO9,-5.2295524543,-1.1017850549,0.2536990126,0.2536990126,GGA,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-S,42.0,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-S +mp-655377,CuH10SO9,-5.1976819462,-1.0699145468,0.2855695207,0.2855695207,GGA,P-1,AB10C9D_aP42_2_ab_10i_9i_i:Cu-H-O-S,42.0,"Invalid WP multiplicities - AB10C9D_aP42_2_ab_18i_18i_i:Cu-H-O-S, expected CuH18SO18 to be CuH10SO9" +mp-1196039,CuH10SO9,-5.471879819,-1.3441124196,0.0113716479,0.0113716479,GGA,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-S,42.0,AB10C9D_aP42_2_bc_10i_9i_i:Cu-H-O-S +mp-698171,Cu4H7SO11,-5.3164076893,-1.0252800943,0.2157711478,0.2157711478,GGA,Pc,A4B7C11D_mP46_7_4a_7a_11a_a:Cu-H-O-S,46.0,A4B7C11D_mP46_7_4a_7a_11a_a:Cu-H-O-S +mp-707201,Cu4H10SO12,-5.3977192983,-1.1821340564,0.0817826826,0.0817826826,GGA,Pc,A4B10C12D_mP54_7_4a_10a_12a_a:Cu-H-O-S,54.0,A4B10C12D_mP54_7_4a_10a_12a_a:Cu-H-O-S +mp-1196446,Li3AsH16(SO2)4,-4.9996546076,-1.225004205,0.0,-0.0099752223,GGA,P2/c,AB16C3D8E4_mP128_13_ef_16g_ae2g_8g_4g:As-H-Li-O-S,128.0,AB16C3D8E4_mP128_13_ef_16g_ae2g_8g_4g:As-H-Li-O-S +mp-1222708,LiH7(SO4)4,-5.9690812379,-1.6351232368000002,0.0038260657,0.0038260657,GGA,P1,A7BC16D4_aP28_1_7a_a_16a_4a:H-Li-O-S,28.0,A7BC16D4_aP28_1_7a_a_16a_4a:H-Li-O-S +mp-720254,Li2H4(SO4)3,-6.0564982321,-1.8108618489,0.0,-0.0069405983,GGA,Pccn,A4B2C12D3_oP84_56_2e_e_6e_ce:H-Li-O-S,84.0,A4B2C12D3_oP84_56_2e_e_6e_ce:H-Li-O-S +mp-24446,LiH2SO4,-5.8215916091,-1.7443941505,0.048733827,0.048733827,GGA,Pnma,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Li-O-S,64.0,A2BC4D_oP64_62_2d_d_2c3d_2c:H-Li-O-S +mp-23849,Li2H2SO5,-5.9398845085000005,-1.9925653839,0.010542962,0.010542962,GGA,P2_1,A2B2C5D_mP20_4_2a_2a_5a_a:H-Li-O-S,20.0,"Invalid WP multiplicities - A2B2C5D_mP20_4_4a_4a_7a_a:H-Li-O-S, expected Li4H4SO7 to be Li2H2SO5" +mp-643458,LiHSO4,-6.1129600775,-1.9379809884,0.0,-0.0018016947,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:H-Li-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:H-Li-O-S +mp-644419,LiHS,-4.0811403867,-0.9351074605,0.0003881125,-0.0250021133,GGA,Pmc2_1,ABC_oP12_26_ab_c_ab:H-Li-S,12.0,ABC_oP12_26_ab_c_ab:H-Li-S +mp-644271,LiHS,-4.0812981367,-0.9352652105,0.0002303625,-0.0251598633,GGA,Ama2,ABC_oC12_40_b_a_b:H-Li-S,6.0,ABC_oC12_40_b_a_b:H-Li-S +mp-37747,LiHS,-4.0808856958,-0.9348527697,0.0006428033,-0.0247474225,GGA,Pcca,ABC_oP24_54_cd_f_cd:H-Li-S,24.0,ABC_oP24_54_cd_f_cd:H-Li-S +mp-30959,LiHS,-4.0815284992,-0.935495573,0.0,-0.0253902258,GGA,P4_2/mbc,ABC_tP24_135_h_bd_h:H-Li-S,24.0,"Invalid WP multiplicities - ABC_tP24_135_h_2b2d_h:H-Li-S, expected Li2HS to be LiHS" +mp-1026830,KMg14W,-1.9924642306,0.2870638867,0.3015402341,0.3015402341,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-W,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-W, expected KMg18W to be KMg14W" +mp-1026822,KMg14W,-2.0173331875,0.2621949298,0.2766712772,0.2766712772,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-W,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-W, expected KMg26W to be KMg14W" +mp-1040243,KMg30WO32,-6.3527593856,-2.9094629882,0.0774617262,0.0774617262,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:K-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:K-Mg-O-W, expected KMg110WO72 to be KMg30WO32" +mp-1040242,KMg30WO32,-6.3509455752,-2.9076491777,0.0792755367,0.0792755367,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:K-Mg-O-W,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:K-Mg-O-W, expected KMg90WO80 to be KMg30WO32" +mp-1035887,KMg14WO16,-6.3507450803,-2.737636666,0.1821724634,0.1821724634,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:K-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:K-Mg-O-W, expected KMg18WO20 to be KMg14WO16" +mp-1035811,KMg14WO16,-6.3532874937,-2.7401790795,0.1796300499,0.1796300499,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:K-Mg-O-W,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:K-Mg-O-W, expected KMg30WO32 to be KMg14WO16" +mp-1031276,KMg6WO8,-6.34273832,-2.3900058721,0.3955720873,0.3955720873,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:K-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:K-Mg-O-W, expected KMg6WO12 to be KMg6WO8" +mp-1031281,KMg6WO8,-6.3857273775,-2.4329949296,0.3525830298,0.3525830298,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:K-Mg-O-W,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:K-Mg-O-W, expected KMg6WO12 to be KMg6WO8" +mp-2241494,K4Mg(WO4)2,-6.770394814,-2.0016184148,0.2777063113,0.2777063113,GGA+U,C2,A4BC8D2_mC30_5_2c_a_4c_c:K-Mg-O-W,15.0,A4BC8D2_mC30_5_2c_a_4c_c:K-Mg-O-W +mp-1098134,KMg6W,-2.5312639325,0.4275122521,0.4399205499,0.4399205499,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-W,8.0,AB6C_tP8_123_a_fk_c:K-Mg-W +mp-1099312,KMg6W,-2.5311021912,0.4276739934,0.4400822911,0.4400822911,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:K-Mg-W,8.0,AB6C_tP8_123_a_fk_c:K-Mg-W +mp-1194610,K4Mg(WO4)3,-7.565168425199999,-2.3513418721,0.0048477337,0.0048477337,GGA+U,P-1,A4BC12D3_aP40_2_ad3i_i_12i_3i:K-Mg-O-W,40.0,A4BC12D3_aP40_2_ad3i_i_12i_3i:K-Mg-O-W +mp-1180441,MnAu2C4(N2O)2,-7.1165802892,0.257558048,0.7985443405,0.7985443405,GGA+U,Immm,A2B4CD4E2_oI26_71_e_2e_a_2e_h:Au-C-Mn-N-O,13.0,A2B4CD4E2_oI26_71_e_2e_a_2e_h:Au-C-Mn-N-O +mp-1207183,Mn3AuN,-8.001620292,-0.1823357318,0.0941716334,0.0941716334,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Au-Mn-N,5.0,AB3C_cP5_221_a_c_b:Au-Mn-N +mp-997183,MnAuO2,-6.9580522337,-1.3757335551,0.0,-0.0207249531,GGA+U,C2/m,ABC2_mC8_12_a_d_i:Au-Mn-O,8.0,ABC2_mC8_12_a_c_i:Au-Mn-O +mp-997163,MnAuO2,-6.9369036925,-1.3545850139,0.0211485412,0.0004235881,GGA+U,R-3m,ABC2_hR12_166_a_b_c:Au-Mn-O,4.0,ABC2_hR12_166_a_b_c:Au-Mn-O +mp-18111,Ba2LaC3O9F,-8.0402747159,-2.859547789,0.0,-0.0017218234,GGA,P2_1/m,A2B3CDE9_mP32_11_2e_3e_e_e_3e3f:Ba-C-F-La-O,32.0,"Invalid WP multiplicities - A2B3CDE9_mP32_11_4e_4e_e_e_3e3f:Ba-C-F-La-O, expected Ba4LaC4O9F to be Ba2LaC3O9F" +mp-638731,LaCO3F,-8.2863076989,-3.1336047491,0.0,-0.0880360286,GGA,P-62m,ABCD3_hP18_189_g_ac_f_gi:C-F-La-O,18.0,"Invalid WP multiplicities - ABCD3_hP18_189_g_ac_f_2g2i:C-F-La-O, expected LaCO6F to be LaCO3F" +mp-581361,Ba3La2C5O15F2,-8.0676279872,-2.8900148355,0.0,-1.6273200000000002e-05,GGA,C2/m,A3B5C2D2E15_mC108_12_ad2i_5i_2i_2i_5i5j:Ba-C-F-La-O,54.0,"Invalid WP multiplicities - A3B5C2D2E15_mC108_12_ac3i_9i_4i_2i_10i20j:Ba-C-F-La-O, expected Ba4La2C9(O25F2)2 to be Ba3La2C5O15F2" +mp-1180593,KH3(SeO3)2,-5.4057181935,-1.4090071681,0.0,-0.0117786541,GGA,P2_1/c,A3BC6D2_mP48_14_3e_e_6e_2e:H-K-O-Se,48.0,A3BC6D2_mP48_14_3e_e_6e_2e:H-K-O-Se +mp-1223543,KH3(SeO3)2,-5.4028129654,-1.40610194,0.0029052281,-0.0088734259,GGA,Pna2_1,A3BC6D2_oP48_33_3a_a_6a_2a:H-K-O-Se,48.0,"Invalid WP multiplicities - A3BC6D2_oP48_33_8a_a_21a_7a:H-K-O-Se, expected KH8(SeO3)7 to be KH3(SeO3)2" +mp-706579,KH3(SeO3)2,-5.4020447383,-1.4053337129,0.0036734552,-0.0081051989,GGA,Pbcn,A3BC6D2_oP48_60_cd_c_3d_d:H-K-O-Se,48.0,A3BC6D2_oP48_60_cd_c_3d_d:H-K-O-Se +mp-19137,K2Mn(SeO3)2,-6.1366301941,-1.7680148842,0.0,-0.0235118011,GGA+U,R-3m,A2BC6D2_hR33_166_c_a_h_c:K-Mn-O-Se,44.0,A2BC6D2_hR33_166_c_a_h_c:K-Mn-O-Se +mp-1224049,K3H(SeO4)2,-5.4653862146,-1.6590108195000002,0.0,-0.0004000563,GGA,Cc,AB3C8D2_mC56_9_a_3a_8a_2a:H-K-O-Se,28.0,AB3C8D2_mC56_9_a_3a_8a_2a:H-K-O-Se +mp-23979,K3H(SeO4)2,-5.4650669696,-1.6586915745000002,0.000319245,-8.08113e-05,GGA,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:H-K-O-Se,28.0,AB3C8D2_mC56_15_c_ef_4f_f:H-K-O-Se +mp-557389,KMn5(SeO3)6,-6.8886379737,-1.6574266045,0.0,-0.0072880079,GGA+U,C2/c,AB5C18D6_mC120_15_e_e2f_9f_3f:K-Mn-O-Se,60.0,"Invalid WP multiplicities - AB5C18D6_mC120_15_e_2e4f_33f_11f:K-Mn-O-Se, expected KMn10(SeO3)22 to be KMn5(SeO3)6" +mp-643245,K3MnH5,-3.4496092589,-0.1766267747,0.0106295486,0.0106295486,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:H-K-Mn,18.0,A5B3C_tI36_140_cl_ah_b:H-K-Mn +mp-1211818,K4H5(SeO4)4,-5.3802071741,-1.4306936809000002,0.0734583465,0.0734583465,GGA,P-1,A5B4C16D4_aP29_2_a2i_2i_8i_2i:H-K-O-Se,29.0,A5B4C16D4_aP29_2_a2i_2i_8i_2i:H-K-O-Se +mp-707536,KHSeO4,-5.477197254,-1.5077984948,0.0,-0.010951676,GGA,Pbca,ABC4D_oP112_61_2c_2c_8c_2c:H-K-O-Se,112.0,ABC4D_oP112_61_2c_2c_8c_2c:H-K-O-Se +mp-24433,KHSeO3,-5.367269765,-1.5607526644,0.0151814685,0.0151814685,GGA,P-1,ABC3D_aP12_2_i_i_3i_i:H-K-O-Se,12.0,ABC3D_aP12_2_i_i_3i_i:H-K-O-Se +mp-555354,KMn(SeO4)2,-6.2519197525,-1.5154408455,0.0,-0.0394198445,GGA+U,P-1,ABC8D2_aP12_2_a_b_4i_i:K-Mn-O-Se,24.0,ABC8D2_aP12_2_a_b_4i_i:K-Mn-O-Se +mp-1200593,KH3(SeO4)2,-5.448316247,-1.3158941236,0.0,-0.0095866567,GGA,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:H-K-O-Se,56.0,A3BC8D2_mP56_14_3e_e_8e_2e:H-K-O-Se +mp-542385,K2MnH4(SeO5)2,-5.6279563663,-1.3430917645,0.2171610215,0.2171610215,GGA+U,P-1,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-K-Mn-O-Se,19.0,A4B2CD10E2_aP19_2_2i_i_a_5i_i:H-K-Mn-O-Se +mp-1180620,NaSeNO6,-5.2661526708,-0.5067011193000001,0.6547882445000001,0.6547882445000001,GGA,P-1,ABC6D_aP36_2_2i_2i_12i_2i:N-Na-O-Se,36.0,ABC6D_aP36_2_2i_2i_12i_2i:N-Na-O-Se +mp-696315,NaHNO2,-5.711741966,-1.1227172288,0.1432865161,0.1432865161,GGA,Pbcm,ABCD2_oP40_57_e_2d_ac_c3d:H-N-Na-O,40.0,ABCD2_oP40_57_e_2d_ac_c3d:H-N-Na-O +mp-1180684,NaH8SeNO6,-4.8882515479,-0.7719649407,0.5084143726,0.5084143726,GGA,P2_12_12,A8BCD6E_oP68_18_8c_c_c_6c_c:H-N-Na-O-Se,68.0,A8BCD6E_oP68_18_8c_c_c_6c_c:H-N-Na-O-Se +mp-707532,NaH8SeNO6,-5.3119830925,-1.1956964852,0.084682828,0.084682828,GGA,P2_12_12_1,A8BCD6E_oP68_19_8a_a_a_6a_a:H-N-Na-O-Se,68.0,A8BCD6E_oP68_19_8a_a_a_6a_a:H-N-Na-O-Se +mp-733572,CoH14N5O9,-5.670017942,-0.8145298230000001,0.2473857086,0.2473857086,GGA+U,P2_1/c,AB14C5D9_mP116_14_e_14e_5e_9e:Co-H-N-O,116.0,AB14C5D9_mP116_14_e_14e_5e_9e:Co-H-N-O +mp-1192975,CoH4(NO4)2,-6.145429663,-1.0170482287,0.0508566533,0.0508566533,GGA+U,P2_1/c,AB4C2D8_mP30_14_a_2e_e_4e:Co-H-N-O,30.0,AB4C2D8_mP30_14_a_2e_e_4e:Co-H-N-O +mp-734411,CoH9(NO)6,-5.9375336845,-0.6038085019,0.3336195036,0.3336195036,GGA+U,P2_12_12_1,AB9C6D6_oP88_19_a_9a_6a_6a:Co-H-N-O,88.0,AB9C6D6_oP88_19_a_9a_6a_6a:Co-H-N-O +mp-1204301,Co2H26N12O13,-5.682821555,-0.6493799492,0.2995943481,0.2995943481,GGA+U,P2_1/c,A2B26C12D13_mP212_14_2e_26e_12e_13e:Co-H-N-O,212.0,A2B26C12D13_mP212_14_2e_26e_12e_13e:Co-H-N-O +mp-24758,CoH20Se2(NO7)2,-5.4072030195,-1.1025544693,0.10256991,0.10256991,GGA+U,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Co-H-N-O-Se,78.0,"Invalid WP multiplicities - AB20C2D14E2_mP78_14_a_14e_e_14e_e:Co-H-N-O-Se, expected CoH28Se2(NO14)2 to be CoH20Se2(NO7)2" +mp-1199552,CoH14SeN5O7,-5.6107714283,-0.8103539459,0.1879488006,0.1879488006,GGA+U,Pnma,AB14C5D7E_oP112_62_c_2c6d_3cd_3c2d_c:Co-H-N-O-Se,112.0,AB14C5D7E_oP112_62_c_2c6d_3cd_3c2d_c:Co-H-N-O-Se +mp-570148,Y11(Ni10C)6,-6.4097118218,-0.2628108348,0.0103686505,0.0103686505,GGA,Im-3m,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Y,77.0,A6B60C11_cI154_229_e_dejk_bf:C-Ni-Y +mp-1207701,Y2NiB10,-7.0823411327,-0.5048798546000001,0.0,-0.0104359667,GGA,Pbam,A10BC2_oP26_55_3gi_a_h:B-Ni-Y,26.0,A10BC2_oP26_55_3gi_a_h:B-Ni-Y +mp-1217659,Tb4YNi10(B2C)5,-7.029254,-0.5045024172,0.007148896,0.007148896,GGA,I4/mmm,A10B5C10D4E_tI60_139_5e_a2e_d2g_2e_b:B-C-Ni-Tb-Y,30.0,"Invalid WP multiplicities - A10B5C10D4E_tI60_139_9e_a3e_2d7g_3e_b:B-C-Ni-Tb-Y, expected Tb6YNi32B18C7 to be Tb4YNi10(B2C)5" +mp-567692,Y3Ni4B4C3,-7.4318746364,-0.5087658064,0.0040555821,0.0040555821,GGA,I4/mmm,A4B3C4D3_tI28_139_2e_ae_g_be:B-C-Ni-Y,14.0,"Invalid WP multiplicities - A4B3C4D3_tI28_139_4e_ae_g_be:B-C-Ni-Y, expected Y3Ni4B8C3 to be Y3Ni4B4C3" +mp-1217451,TbY3Ni8(B2C)4,-7.1985194867,-0.5058249443,0.0051132725,0.0051132725,GGA,P4/mmm,A8B4C8DE3_tP24_123_2g2h_abh_2i_c_dg:B-C-Ni-Tb-Y,24.0,"Invalid WP multiplicities - A8B4C8DE3_tP24_123_3g4h_ab2h_5i_c_d2g:B-C-Ni-Tb-Y, expected TbY5Ni20(B7C3)2 to be TbY3Ni8(B2C)4" +mp-1066566,YNiC2,-8.00349058,-0.3275058854,0.0,-0.0597866467,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Ni-Y,4.0,A2BC_oC8_38_d_a_b:C-Ni-Y +mp-1192116,Y3Ni7B2,-6.5878497308,-0.486253594,0.0,-0.0029328786,GGA,P6_3/mmc,A2B7C3_hP24_194_bc_ak_df:B-Ni-Y,24.0,A2B7C3_hP24_194_bc_ak_df:B-Ni-Y +mp-1199550,Y3Ni19B10,-6.5504107103,-0.4249129613,0.0103668809,0.0103668809,GGA,C2/m,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Y,32.0,A10B19C3_mC64_12_g2j_c3i3j_ai:B-Ni-Y +mp-6576,YNi2B2C,-7.2796463333,-0.5106140821,0.0,-0.0345280387,GGA,I4/mmm,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Y,6.0,A2BC2D_tI12_139_e_a_d_b:B-C-Ni-Y +mp-567863,Y3Ni13B2,-6.4104880628,-0.4160450782,0.0120094611,0.0120094611,GGA,P6/mmm,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Y,18.0,A2B13C3_hP18_191_c_ghi_ae:B-Ni-Y +mp-1201729,Y4NiB13,-7.041191225,-0.459073772,0.1204294904,0.1204294904,GGA,P4/mnc,A13BC4_tP36_128_agi_b_h:B-Ni-Y,36.0,A13BC4_tP36_128_agi_b_h:B-Ni-Y +mp-1217435,TbY2Ni6(B2C)3,-7.1738072472,-0.5065586078000001,0.0044876539,0.0044876539,GGA,I4/mmm,A6B3C6DE2_tI36_139_3e_ae_dg_b_e:B-C-Ni-Tb-Y,18.0,"Invalid WP multiplicities - A6B3C6DE2_tI36_139_5e_ae_2d3g_b_e:B-C-Ni-Tb-Y, expected TbY2Ni16B10C3 to be TbY2Ni6(B2C)3" +mp-1204725,Y2(Ni5B3)3,-6.5516844655,-0.4074722207,0.0168582522,0.0168582522,GGA,Cmce,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Y,104.0,A9B15C2_oC208_64_d2f3g_abef6g_ef:B-Ni-Y +mp-1191870,Y4Ni13C4,-6.9009970033,-0.3332673241,0.0,-0.0142149978,GGA,Cmmm,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Y,21.0,A4B13C4_oC42_65_eg_afj2p_hj:C-Ni-Y +mp-1217442,TbYNi2,-6.0990063788,-0.4337287354,0.0009320769,0.0009320769,GGA,Pmc2_1,A2BC_oP8_26_ab_a_b:Ni-Tb-Y,8.0,A2BC_oP8_26_ab_a_b:Ni-Tb-Y +mp-7559,YNi4B,-6.52712871,-0.4827271093,0.0,-0.0451436907,GGA,P6/mmm,AB4C_hP12_191_c_di_ab:B-Ni-Y,12.0,AB4C_hP12_191_c_di_ab:B-Ni-Y +mp-1079994,Y(NiB)2,-6.834657439,-0.557551836,0.0,-0.031819614,GGA,C2/c,A2B2C_mC20_15_f_f_e:B-Ni-Y,10.0,A2B2C_mC20_15_f_f_e:B-Ni-Y +mp-1206929,Y(NiB)2,-6.7111905620000005,-0.434084959,0.123466877,0.091647263,GGA,I4/mmm,A2B2C_tI10_139_e_d_a:B-Ni-Y,5.0,A2B2C_tI10_139_e_d_a:B-Ni-Y +mp-1190178,YNiB4,-7.0658873671,-0.571858221,0.0,-0.0296616949,GGA,I4/mmm,A4BC_tI48_139_lm_i_de:B-Ni-Y,24.0,A4BC_tI48_139_lm_i_de:B-Ni-Y +mp-1217431,TbYNi4(B2C)2,-7.1234921017,-0.5071352682,0.0041270833,0.0041270833,GGA,P4/mmm,A4B2C4DE_tP12_123_gh_ad_i_b_c:B-C-Ni-Tb-Y,12.0,"Invalid WP multiplicities - A4B2C4DE_tP12_123_2gh_ad_i_c_b:B-C-Ni-Tb-Y, expected TbYNi4(B3C)2 to be TbYNi4(B2C)2" +mp-1202784,Y(Ni2B)6,-6.4946853679,-0.3944505311,0.0,-0.0307177603,GGA,Cmc2_1,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Y,38.0,A6B12C_oC76_36_2a2b_2a5b_a:B-Ni-Y +mp-1106267,Y(Ni2B)6,-6.4898558311,-0.3896209943,0.0048295368,-0.0258882234,GGA,R-3m,A6B12C_hR57_166_h_fh_b:B-Ni-Y,19.0,A6B12C_hR57_166_h_fh_b:B-Ni-Y +mp-612670,YNiBC,-7.5531431325,-0.5144768683000001,0.0,-0.0289174566,GGA,P4/nmm,ABCD_tP8_129_c_c_a_c:B-C-Ni-Y,8.0,ABCD_tP8_129_c_c_a_c:B-C-Ni-Y +mp-697925,Na5YbH4(C2O7)2,-6.563381357,-1.9958298264,0.000943564,0.000943564,GGA,P-42_1c,A4B4C5D14E_tP56_114_e_e_ae_d3e_b:C-H-Na-O-Yb,,A4B4C5D14E_tP56_114_e_e_ae_d3e_b:C-H-Na-O-Yb +mp-555985,YbH7C3O8,-6.3131114489,-1.4421537246,0.216784415,0.216784415,GGA,P-1,A3B7C8D_aP38_2_3i_7i_8i_i:C-H-O-Yb,,"Invalid WP multiplicities - A3B7C8D_aP38_2_6i_14i_16i_i:C-H-O-Yb, expected YbH14(C3O8)2 to be YbH7C3O8" +mp-1200794,YbH7C4O11,-6.6557367643,-1.5854355301,0.1313632675,0.1313632675,GGA,P4_2/n,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Yb,,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Yb +mp-1238179,YbH7C4O11,-6.376004881,-1.3057036467,0.4110951509,0.4110951509,GGA,P4_2/n,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Yb,,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Yb +mp-1193278,La3NiW(SO2)3,-7.9826922129,-2.5801372062,0.1628010027,0.1628010027,GGA+U,P6_3/m,A3BC6D3E_hP28_176_h_b_i_h_c:La-Ni-O-S-W,28.0,A3BC6D3E_hP28_176_h_b_i_h_c:La-Ni-O-S-W +mp-1207926,YbFeC6(N3O2)2,-7.2898754667,0.2205326911,1.1915760877,1.1915760877,GGA+U,Cmcm,A6BC6D4E_oC72_63_fh_a_fh_fg_c:C-Fe-N-O-Yb,,A6BC6D4E_oC72_63_fh_a_fh_fg_c:C-Fe-N-O-Yb +mp-1103776,Yb2FeC4,-6.9851241586,-0.06170991,0.0334247637,0.0334247637,GGA,Ibam,A4BC2_oI28_72_2j_a_j:C-Fe-Yb,,A4BC2_oI28_72_2j_a_j:C-Fe-Yb +mp-568768,Yb2(CN2)3,-7.9233180977,-0.5793014989,0.0,-0.0970790516,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Yb,,A3B6C2_hR66_167_e_f_c:C-N-Yb +mp-13041,Yb2C(NO)2,-7.1975329843,-1.644068795,0.4304164304,0.4304164304,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Yb,,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Yb +mp-1221895,MnNbH8(OF)5,-6.0769098825,-2.0421115282,0.0,-0.0015061679,GGA+U,P2_1,A5B8CDE5_mP40_4_5a_8a_a_a_5a:F-H-Mn-Nb-O,40.0,A5B8CDE5_mP40_4_5a_8a_a_a_5a:F-H-Mn-Nb-O +mp-1211122,Mn3NbF6,-6.805143114,-1.8995206419,0.771977106,0.771977106,GGA+U,P-1,A6B3C_aP10_2_3i_bce_a:F-Mn-Nb,10.0,A6B3C_aP10_2_3i_bce_a:F-Mn-Nb +mp-1238929,Mn3NbF6,-6.908165814,-2.0025433419,0.668954406,0.668954406,GGA+U,P-1,A6B3C_aP10_2_3i_abe_d:F-Mn-Nb,10.0,A6B3C_aP10_2_3i_abe_d:F-Mn-Nb +mp-1210952,Mn3NbF6,-6.800876794,-1.8952543219,0.7762434260000001,0.7762434260000001,GGA+U,C2/m,A6B3C_mC20_12_ij_ce_b:F-Mn-Nb,10.0,A6B3C_aP10_2_3i_bce_d:F-Mn-Nb +mp-1211740,KH2OsBr4N,-3.9653410372,-0.2240269581,0.7034541033,0.7034541033,GGA,Cmc2_1,A4B2CDE_oC36_36_2b_2a_a_a_a:Br-H-K-N-Os,18.0,A4B2CDE_oC36_36_2b_2a_a_a_a:Br-H-K-N-Os +mp-1211919,KH2OsBr4N,-4.2029186561,-0.461604577,0.4658764844,0.4658764844,GGA,Cmc2_1,A4B2CDE_oC36_36_2b_2a_a_a_a:Br-H-K-N-Os,18.0,A4B2CDE_oC36_36_2b_2a_a_a_a:Br-H-K-N-Os +mp-771142,Na2MnBSO7,-6.9801685267,-2.2093578187,0.0936660228,0.0936660228,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Mn-Na-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Mn-Na-O-S, expected Na2MnBSO13 to be Na2MnBSO7" +mp-1194228,NaMn2(SO4)2,-6.8973761565,-1.7056095949,0.3628221032,0.3628221032,GGA+U,P-1,A2BC8D2_aP26_2_adi_i_8i_2i:Mn-Na-O-S,26.0,A2BC8D2_aP26_2_adi_i_8i_2i:Mn-Na-O-S +mp-28079,Na2Mn2S3,-5.7811042089,-1.0127569558,0.0,-0.0060380075,GGA,C2/c,A2B2C3_mC56_15_2f_2ef_3f:Mn-Na-S,28.0,"Invalid WP multiplicities - A2B2C3_mC56_15_3f_2ef_5f:Mn-Na-S, expected Na2Mn3S5 to be Na2Mn2S3" +mp-770500,Na6Mn2B4SO16,-7.0459295593,-2.3473013291,0.0227989107,0.0227989107,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Mn-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:B-Mn-Na-O-S, expected Na6Mn2B4SO108 to be Na6Mn2B4SO16" +mp-754159,Na2Mn(SO4)2,-6.7273183142,-2.1385894448,0.0025240617,0.0025240617,GGA+U,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Mn-Na-O-S,26.0,AB2C8D2_mC52_15_e_f_4f_f:Mn-Na-O-S +mp-5055,Na6MnS4,-4.2510048641,-1.1925533622,0.0,-0.030721159,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Mn-Na-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_3c_b2c:Mn-Na-S, expected Na9MnS7 to be Na6MnS4" +mp-1210321,Na6Mn(SO4)4,-6.361070863,-2.1836639778,0.0,-0.007262982,GGA+U,P2_1/c,AB6C16D4_mP54_14_a_3e_8e_2e:Mn-Na-O-S,54.0,AB6C16D4_mP54_14_a_3e_8e_2e:Mn-Na-O-S +mp-773188,Na3MnBSO7,-6.7461099369,-2.2405519532,0.0589345054,0.0589345054,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-S,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-S +mp-559729,K2Fe(CO)4,-6.9657611964,-0.8391942946000001,0.5872210151,0.5872210151,GGA+U,Fddd,A4BC2D4_oF88_70_h_a_e_h:C-Fe-K-O,22.0,A4BC2D4_oF88_70_h_a_e_h:C-Fe-K-O +mp-1199661,K3Fe(CO2)6,-7.5343239483,-1.7828023328,0.0336566125,0.0336566125,GGA+U,P4_132,A6BC3D12_cP176_213_2e_c_acd_4e:C-Fe-K-O,176.0,A6BC3D12_cP176_213_2e_c_acd_4e:C-Fe-K-O +mp-1205279,K3Fe(C2O5)3,-6.9101288079,-1.2551871409,0.6339612537,0.6339612537,GGA+U,P2_1/c,A6BC3D15_mP100_14_6e_e_3e_15e:C-Fe-K-O,100.0,A6BC3D15_mP100_14_6e_e_3e_15e:C-Fe-K-O +mp-1200037,K5NaFe2(CO2)12,-7.5417187837,-1.7853761149,0.0282854157,0.0282854157,GGA+U,P4_332,A12B2C5DE24_cP176_212_2e_c_cd_a_4e:C-Fe-K-Na-O,176.0,A12B2C5DE24_cP176_212_2e_c_cd_a_4e:C-Fe-K-Na-O +mp-704100,K5NaFe2(CO2)12,-7.5410827307,-1.7847400619,0.0289214687,0.0289214687,GGA+U,P4_132,A12B2C5DE24_cP176_213_2e_c_cd_a_4e:C-Fe-K-Na-O,176.0,"Invalid WP multiplicities - A12B2C5DE24_cP176_213_23e_c_5c6d_a_75e:C-Fe-K-Na-O, expected K28NaFe2(C23O75)6 to be K5NaFe2(CO2)12" +mp-1180928,MgTe(H4O3)3,-5.1399941196,-1.2279725159,0.253291026,0.253291026,GGA,P1,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-Te,23.0,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-Te +mp-23888,MgTe(H4O3)3,-5.3844488735,-1.4724272698,0.0088362721,0.0088362721,GGA,R3,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-Te,23.0,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-Te +mp-1233467,MgTe4H4(O3F4)2,-5.0987580696,-1.9371766865,0.1047022607,0.1047022607,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te,23.0,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te +mp-1233771,MgTe4H4(O3F4)2,-5.0997373204,-1.9381559374,0.1037230098,0.1037230098,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te,23.0,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te +mp-1233804,MgTe4H4(O3F4)2,-5.1037005035,-1.9421191204,0.0997598268,0.0997598268,GGA,P1,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te,,A8B4CD6E4_aP23_1_8a_4a_a_6a_4a:F-H-Mg-O-Te +mp-677177,RbAl6H20N5F24,-5.1707322093,-1.9766879272,0.3768057983,0.3768057983,GGA,P1,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb,56.0,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb +mp-695079,RbAl6H20N5F24,-5.1721955664,-1.9781512843,0.3753424411,0.3753424411,GGA,P1,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb,56.0,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb +mp-1173479,RbAl6H20N5F24,-5.2550312859,-2.0609870038,0.2925067217,0.2925067217,GGA,P1,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb,56.0,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb +mp-1263047,RbAl6H20N5F24,-5.2498900839,-2.0558458018,0.2976479236,0.2976479236,GGA,P1,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb,56.0,A6B24C20D5E_aP56_1_6a_24a_20a_5a_a:Al-F-H-N-Rb +mp-541900,AlH15(NF)6,-5.3322890867,-1.184992306,0.1264523386,0.1264523386,GGA,P2_12_12_1,AB6C15D6_oP112_19_a_6a_15a_6a:Al-F-H-N,112.0,AB6C15D6_oP112_19_a_6a_15a_6a:Al-F-H-N +mp-1202807,AlH12(NF2)3,-5.2252966982,-1.5463582005,0.0352309792,0.0352309792,GGA,Aea2,AB6C12D3_oC88_41_a_2a2b_6b_ab:Al-F-H-N,44.0,AB6C12D3_oC88_41_a_2a2b_6b_ab:Al-F-H-N +mp-24515,RbAl(H2N)4,-4.5179380907,0.140197478,0.7415675196,0.7320542836,GGA,P4/n,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb,28.0,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb +mp-762197,RbAl(H2N)4,-5.1921345475,-0.5339989787,0.0673710629,0.0578578268,GGA,P4/n,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb,28.0,"Invalid WP multiplicities - AB8C4D_tP28_85_a_13g_g_c:Al-H-N-Rb, expected RbAl(H13N)4 to be RbAl(H2N)4" +mp-1193778,RbAl(H2N)4,-5.2595056104,-0.6013700416000001,0.0,-0.0095132361,GGA,P4/n,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb,28.0,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb +mp-1251539,RbAl(H2N)4,-5.2578841154,-0.5997485466,0.001621495,-0.0078917411,GGA,P4/n,AB8C4D_tP28_85_a_2g_g_c:Al-H-N-Rb,28.0,"Invalid WP multiplicities - AB8C4D_tP28_85_a_13g_g_c:Al-H-N-Rb, expected RbAl(H13N)4 to be RbAl(H2N)4" +mp-1228986,AlH6N2F3,-5.4959699917,-1.6201900873,0.0,-0.0373011612,GGA,C2/m,AB3C6D2_mC24_12_a_bi_ij_i:Al-F-H-N,12.0,AB3C6D2_mC24_12_a_bi_ij_i:Al-F-H-N +mp-1210712,Rb2Al(H2N)2,-4.0852307586,-0.0907265358,0.5324678845,0.5324678845,GGA,P4/n,AB4C2D2_tP36_85_d_2g_g_g:Al-H-N-Rb,36.0,AB4C2D2_tP36_85_d_2g_g_g:Al-H-N-Rb +mp-1237686,Rb2Al(H2N)2,-3.6600094403,0.3344947825,0.9576892028,0.9576892028,GGA,P4/n,AB4C2D2_tP36_85_d_2g_g_g:Al-H-N-Rb,36.0,AB4C2D2_tP36_85_d_2g_g_g:Al-H-N-Rb +mp-696815,AlH4NF4,-5.5291414693,-2.1992523888,0.0,-0.0109825843,GGA,P4_2/mbc,AB4C4D_tP40_135_c_fh_i_b:Al-F-H-N,40.0,AB4C4D_tP40_135_c_fh_i_b:Al-F-H-N +mp-1202309,AlH4NF4,-5.5260870141,-2.1961979336,0.0030544552,-0.0079281291,GGA,P4_2/ncm,AB4C4D_tP200_138_ej_2ei4j_4i3j_a2i:Al-F-H-N,200.0,AB4C4D_tP200_138_ej_2ei4j_4i3j_a2i:Al-F-H-N +mp-1046811,Sr2YAlW2O7,-8.2129076288,-2.5102833759000003,0.4674965392,0.4674965392,GGA+U,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-W-Y,26.0,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-W-Y +mp-1199868,Y6Al43W4,-5.0274071415,-0.2785183058,0.0,-0.0062534151,GGA,P6_3/mcm,A43B4C6_hP106_193_ghij2kl_bg_k:Al-W-Y,106.0,A43B4C6_hP106_193_ghij2kl_bg_k:Al-W-Y +mp-556785,RbTeF5,-4.6918090184,-2.7373469036,0.0,-0.1523272323,GGA,Pnma,A5BC_oP56_62_2c4d_2c_2c:F-Rb-Te,56.0,"Invalid WP multiplicities - A5BC_oP56_62_7c23d_7c_2c:F-Rb-Te, expected Rb7Te2F53 to be RbTeF5" +mp-728416,Rb2Te2O2F7,-4.808565525,-2.3838416691,0.1069111506,0.1069111506,GGA,P2_1,A7B2C2D2_mP52_4_14a_4a_4a_4a:F-O-Rb-Te,52.0,A7B2C2D2_mP52_4_14a_4a_4a_4a:F-O-Rb-Te +mp-23700,RbH2OF,-4.852963655,-1.9281328868,0.0,-0.0090850845,GGA,Pnma,AB2CD_oP20_62_c_d_c_c:F-H-O-Rb,20.0,AB2CD_oP20_62_c_d_c_c:F-H-O-Rb +mp-1193891,RbTeOF4,-4.6650006104,-2.2769371036,0.1774064669,0.1774064669,GGA,Cc,A4BCD_mC56_9_8a_2a_2a_2a:F-O-Rb-Te,28.0,A4BCD_mC56_9_8a_2a_2a_2a:F-O-Rb-Te +mp-698479,RbTeHOF4,-4.8941918316,-2.3805455076,0.0,-0.0220381117,GGA,Cc,A4BCDE_mC64_9_8a_2a_2a_2a_2a:F-H-O-Rb-Te,32.0,A4BCDE_mC64_9_8a_2a_2a_2a_2a:F-H-O-Rb-Te +mp-555178,Rb5H5(OF3)2,-4.6626303092,-2.2610440972,0.0016219594,0.0016219594,GGA,Pccn,A6B5C2D5_oP72_56_3e_c2e_e_d2e:F-H-O-Rb,72.0,"Invalid WP multiplicities - A6B5C2D5_oP72_56_16e_3c12e_e_3d9e:F-H-O-Rb, expected Rb21H27(OF16)2 to be Rb5H5(OF3)2" +mp-766505,RbH2O2F,-4.861875245,-1.6000681529,0.0067092527,0.0067092527,GGA,P-42_1m,AB2C2D_tP48_113_2e_2f_2f_ace:F-H-O-Rb,48.0,"Invalid WP multiplicities - AB2C2D_tP48_113_5e_13f_13f_2a2c2e:F-H-O-Rb, expected Rb4H26O26F5 to be RbH2O2F" +mp-1045991,Sr2YTlW2O7,-7.7873118246,-2.1910670088,0.4917682925,0.4917682925,GGA+U,Amm2,A7B2CD2E_oC26_38_acf_c_a_c_b:O-Sr-Tl-W-Y,13.0,A7B2CD2E_oC26_38_acf_c_a_c_b:O-Sr-Tl-W-Y +mp-1207646,YTl(WO4)2,-8.6932920504,-2.5000516829,0.0,-0.0396011133,GGA+U,C2/c,A8BC2D_mC48_15_4f_e_f_e:O-Tl-W-Y,24.0,A8BC2D_mC48_15_4f_e_f_e:O-Tl-W-Y +mp-1196144,ScH7(NO5)2,-6.2723955270000005,-1.4613241079,0.0,-0.0096279638,GGA,P-1,A7B2C10D_aP40_2_7i_2i_10i_i:H-N-O-Sc,40.0,A7B2C10D_aP40_2_7i_2i_10i_i:H-N-O-Sc +mp-1196702,ScH10N3O14,-6.1481588757,-1.3437711512,0.0016819301,0.0016819301,GGA,P-1,A10B3C14D_aP112_2_20i_6i_28i_2i:H-N-O-Sc,112.0,A10B3C14D_aP112_2_20i_6i_28i_2i:H-N-O-Sc +mp-1203246,ScAs2H4NO7,-6.570898604,-1.7585702041,0.030108954,0.030108954,GGA,P2_1/c,A2B4CD7E_mP60_14_2e_4e_e_7e_e:As-H-N-O-Sc,60.0,A2B4CD7E_mP60_14_2e_4e_e_7e_e:As-H-N-O-Sc +mp-1237757,ScAs2H4NO7,-6.227619906,-1.4152915061,0.373387652,0.373387652,GGA,P2_1/c,A2B4CD7E_mP60_14_2e_4e_e_7e_e:As-H-N-O-Sc,60.0,A2B4CD7E_mP60_14_2e_4e_e_7e_e:As-H-N-O-Sc +mp-554195,Sb3As2S14(IF8)3,-4.4823821239,-1.6582270601,0.1409147151,0.1409147151,GGA,P-1,A2B24C3D14E3_aP46_2_i_12i_bi_7i_ci:As-F-I-S-Sb,46.0,"Invalid WP multiplicities - A2B24C3D14E3_aP46_2_i_24i_b2i_11i_ci:As-F-I-S-Sb, expected Sb3As2S22I5F48 to be Sb3As2S14(IF8)3" +mp-557628,AsS(IF3)2,-4.1247179103,-1.8036004326,0.0,-0.0144898171,GGA,C2/c,AB6C2D_mC80_15_ae_6f_2f_f:As-F-I-S,40.0,"Invalid WP multiplicities - AB6C2D_mC80_15_ce_19f_5f_f:As-F-I-S, expected AsSI5F19 to be AsS(IF3)2" +mp-560107,SbAs3(S2F3)2,-4.9025977361,-1.6082384698,0.0457964405,0.0457964405,GGA,Pbcm,A3B6C4D_oP56_57_de_2d2e_2de_d:As-F-S-Sb,56.0,"Invalid WP multiplicities - A3B6C4D_oP56_57_4d4e_8d10e_7d3e_d:As-F-S-Sb, expected SbAs12S13F28 to be SbAs3(S2F3)2" +mp-637112,AsS7IF6,-4.2995755909,-1.1958084157,0.184064826,0.184064826,GGA,P-1,AB6CD7_aP90_2_3i_18i_3i_21i:As-F-I-S,90.0,"Invalid WP multiplicities - AB6CD7_aP90_2_5i_36i_5i_42i:As-F-I-S, expected As5S42I5F36 to be AsS7IF6" +mp-555408,SbS7IF6,-4.3512452755,-1.2828192446,0.1996051646,0.1996051646,GGA,P2_12_12_1,A6BC7D_oP60_19_6a_a_7a_a:F-I-S-Sb,60.0,"Invalid WP multiplicities - A6BC7D_oP60_19_21a_a_25a_a:F-I-S-Sb, expected SbS25IF21 to be SbS7IF6" +mp-1213390,Li3Nd2(N3O10)3,-6.6177876487,-1.1929653958,0.1448450926,0.1448450926,GGA,P2_13,A3B9C2D30_cP176_198_b_3b_2a_10b:Li-N-Nd-O,176.0,A3B9C2D30_cP176_198_b_3b_2a_10b:Li-N-Nd-O +mp-1199121,NdH16N7O19,-6.0318625716,-1.1157157311,0.0931043841,0.0931043841,GGA,Cc,A16B7CD19_mC172_9_16a_7a_a_19a:H-N-Nd-O,86.0,A16B7CD19_mC172_9_16a_7a_a_19a:H-N-Nd-O +mp-1201733,Nd6H40N8O49,-6.1496887041,-1.5535951832,0.0008011546,0.0008011546,GGA,P2_1/c,A40B8C6D49_mP206_14_20e_4e_3e_a24e:H-N-Nd-O,206.0,A40B8C6D49_mP206_14_20e_4e_3e_a24e:H-N-Nd-O +mp-1211215,Li2Nd(NO3)5,-6.8442138273,-1.4325269377,0.0,-0.0081013436,GGA,Pnnm,A2B5CD15_oP92_58_h_e2gh_ac_e4g5h:Li-N-Nd-O,92.0,A2B5CD15_oP92_58_h_e2gh_ac_e4g5h:Li-N-Nd-O +mp-1235130,LiNd2(HO)6,-6.066327674,-1.9675472561,0.1911671473,0.1911671473,GGA,P-1,A6BC2D6_aP15_2_3i_a_i_3i:H-Li-Nd-O,15.0,"Invalid WP multiplicities - A6BC2D6_aP15_2_6i_a_i_6i:H-Li-Nd-O, expected LiNd2(HO)12 to be LiNd2(HO)6" +mp-1235651,LiNd2(HO)6,-6.1391494933,-2.0403690754,0.118345328,0.118345328,GGA,Pm,A6BC2D6_mP15_6_3a3b_a_ab_3a3b:H-Li-Nd-O,15.0,A6BC2D6_mP15_6_3a3b_a_ab_3a3b:H-Li-Nd-O +mp-1235668,LiNd2(HO)6,-6.1288890293,-2.0301086114,0.128605792,0.128605792,GGA,Pm,A6BC2D6_mP15_6_3a3b_a_ab_3a3b:H-Li-Nd-O,15.0,A6BC2D6_mP15_6_3a3b_a_ab_3a3b:H-Li-Nd-O +mp-723059,Li3Nd2H6(N3O10)3,-6.5844089694,-1.4034382614,0.0064590458,0.0064590458,GGA,P2_13,A6B3C9D2E30_cP200_198_2b_b_3b_2a_10b:H-Li-N-Nd-O,200.0,A6B3C9D2E30_cP200_198_2b_b_3b_2a_10b:H-Li-N-Nd-O +mp-695894,NdH12(NO5)3,-6.0115545292,-1.3441133867,0.0154147427,0.0094329566,GGA,P-1,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O,62.0,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O +mp-725837,NdH12(NO5)3,-3.9763521137,0.6910890288,2.0506171582,2.0446353721,GGA,P-1,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O,62.0,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O +mp-504828,NdH12(NO5)3,-6.0269692719,-1.3595281295,0.0,-0.0059817862,GGA,P-1,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O,62.0,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O +mp-1361667,NdH12(NO5)3,-4.8930132611,-0.2255721187,1.1339560108,1.1279742246,GGA,P-1,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O,62.0,A12B3CD15_aP62_2_12i_3i_i_15i:H-N-Nd-O +mp-24150,LiNd2HO3,-7.0623809586,-2.8226652571,0.0205653082,0.0205653082,GGA,Immm,ABC2D3_oI14_71_a_c_f_bf:H-Li-Nd-O,7.0,ABC2D3_oI14_71_a_c_f_bf:H-Li-Nd-O +mp-722902,LiH2NO3,-5.8444687457,-1.2914778864,0.0501439844,0.0501439844,GGA,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:H-Li-N-O,28.0,A2BCD3_mP28_14_2e_e_e_3e:H-Li-N-O +mp-1211054,LiH4(NO2)3,-5.9835335336,-0.9714303843,0.150178239,0.150178239,GGA,C2/c,A4BC3D6_mC56_15_2f_e_ef_3f:H-Li-N-O,28.0,A4BC3D6_mC56_15_2f_e_ef_3f:H-Li-N-O +mp-23906,LiH6NO6,-5.6158038471000005,-1.3099533951,0.0098964891,0.0098964891,GGA,Cmcm,A6BCD6_oC56_63_f2g_a_c_2cfg:H-Li-N-O,28.0,"Invalid WP multiplicities - A6BCD6_oC56_63_2f6g_a_c_2c2f3g:H-Li-N-O, expected LiH16NO12 to be LiH6NO6" +mp-859133,LiH2N3O,-6.1918244052,-0.6703174848,0.1731148164,0.1731148164,GGA,P6_3/mcm,A2BC3D_hP42_193_j_bd_gj_g:H-Li-N-O,42.0,"Invalid WP multiplicities - A2BC3D_hP42_193_j_b2d_3g3j_g:H-Li-N-O, expected Li5H6(N9O)3 to be LiH2N3O" +mp-558628,KLi2BO3,-6.2403457793,-2.4621025529,0.0,-0.0093326804,GGA,Pnma,ABC2D3_oP28_62_c_c_d_cd:B-K-Li-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_d_3c4d:B-K-Li-O, expected KLi2BO11 to be KLi2BO3" +mp-1195894,K9Li3Nd3(BO3)7,-6.9733117493000005,-2.7718929876,0.0,-0.0062652599,GGA,P2/c,A7B9C3D3E21_mP86_13_e3g_f4g_eg_fg_e10g:B-K-Li-Nd-O,86.0,A7B9C3D3E21_mP86_13_e3g_f4g_eg_fg_e10g:B-K-Li-Nd-O +mp-1211700,K3Nd(BO3)2,-7.0679128071,-2.8063911335,0.0,-0.0544011787,GGA,Pnma,A2B3CD6_oP48_62_2c_cd_c_4cd:B-K-Nd-O,48.0,A2B3CD6_oP48_62_2c_cd_c_4cd:B-K-Nd-O +mp-6648,KLiB4O7,-7.7492287486,-2.7981741427,0.0,-0.0061619795,GGA,P2_12_12_1,A4BCD7_oP104_19_8a_2a_2a_14a:B-K-Li-O,104.0,A4BCD7_oP104_19_8a_2a_2a_14a:B-K-Li-O +mp-557632,K2LiBO3,-6.0137207707,-2.34955239,0.0,-0.0938804654,GGA,C2,AB2CD3_mC28_5_c_abc_c_3c:B-K-Li-O,14.0,"Invalid WP multiplicities - AB2CD3_mC28_5_c_ab2c_c_4c:B-K-Li-O, expected K3LiBO4 to be K2LiBO3" +mp-1212002,KEr(SeO4)2,-6.3655902542,-2.0119693873,0.0,-0.102236792,GGA,Pna2_1,ABC8D2_oP96_33_2a_2a_16a_4a:Er-K-O-Se,96.0,ABC8D2_oP96_33_2a_2a_16a_4a:Er-K-O-Se +mp-722310,KErHSe2O9,-6.1008772796,-1.7735297683,0.0883783516,0.0883783516,GGA,P-1,ABCD9E2_aP28_2_i_i_i_9i_2i:Er-H-K-O-Se,28.0,ABCD9E2_aP28_2_i_i_i_9i_2i:Er-H-K-O-Se +mp-686434,Ca5Mg5P5O21F4,-7.1922938059,-3.2767365311,0.0284942271,0.0284942271,GGA,C2,A5B4C5D21E5_mC320_5_ab9c_ab7c_10c_42c_ab9c:Ca-F-Mg-O-P,160.0,"Invalid WP multiplicities - A5B4C5D21E5_mC320_5_ab17c_ab14c_18c_84c_ab18c:Ca-F-Mg-O-P, expected Ca18Mg18P19(O28F5)3 to be Ca5Mg5P5O21F4" +mp-1227623,Ca4Mg4P4O17F3,-7.1894792797,-3.254951944,0.0334658135,0.0334658135,GGA,C2,A4B3C4D17E4_mC64_5_abc_ac_2c_b8c_abc:Ca-F-Mg-O-P,32.0,"Invalid WP multiplicities - A4B3C4D17E4_mC64_5_abc_ac_3c_b14c_abc:Ca-F-Mg-O-P, expected Ca4Mg6P4O29F3 to be Ca4Mg4P4O17F3" +mp-1227110,Ca5P3O12F,-7.5897737676,-3.4212189856,0.0006151117,-0.0303371041,GGA,P6_3,A5BC12D3_hP42_173_2bc_a_4c_c:Ca-F-O-P,42.0,A5BC12D3_hP42_173_2bc_a_4c_c:Ca-F-O-P +mp-6473,Ca5P3O12F,-7.5903888793,-3.4218340973,0.0,-0.0309522158,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Ca-F-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_fh_a_6h3i_h:Ca-F-O-P, expected Ca5P3O36F to be Ca5P3O12F" +mp-1213968,CaMgPO4F,-7.210278295,-3.3706012639000003,0.0018814969,0.0018814969,GGA,C2/c,ABCD4E_mC32_15_e_e_a_2f_e:Ca-F-Mg-O-P,16.0,ABCD4E_mC32_15_e_e_c_2f_e:Ca-F-Mg-O-P +mp-1221666,Na2V16Mo2O45,-8.3099687452,-2.2748942847,0.0251624677,0.0251624677,GGA+U,P1,A2B2C45D16_aP65_1_2a_2a_45a_16a:Mo-Na-O-V,65.0,A2B2C45D16_aP65_1_2a_2a_45a_16a:Mo-Na-O-V +mp-1099938,K3Na5VMo7O24,-7.4288700415,-2.087174811,0.078403986,0.078403986,GGA+U,Cm,A3B7C5D24E_mC80_8_ab_3a2b_3ab_4a10b_a:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - A3B7C5D24E_mC80_8_ab_3a4b_3ab_4a20b_a:K-Mo-Na-O-V, expected K3Na5V(MoO4)11 to be K3Na5VMo7O24" +mp-726386,K5NaV2(MoO5)6,-7.1967959775,-1.7759574737,0.2049581667,0.2049581667,GGA+U,C2/m,A5B6CD30E2_mC88_12_aj_ij_d_5i5j_i:K-Mo-Na-O-V,44.0,A5B6CD30E2_mC88_12_aj_ij_d_5i5j_i:K-Mo-Na-O-V +mp-1520241,KNaV4O12,-7.4823881789,-2.0307874536,0.2114370183,0.2114370183,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:K-Na-O-V,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:K-Na-O-V, expected KNaV4O16 to be KNaV4O12" +mp-1076637,K3Na5V2(Mo3O10)2,-7.3165018568,-1.9798543475,0.1538737874,0.1538737874,GGA+U,P1,A3B6C5D20E2_aP144_1_12a_24a_20a_80a_8a:K-Mo-Na-O-V,144.0,A3B6C5D20E2_aP144_1_12a_24a_20a_80a_8a:K-Mo-Na-O-V +mp-1211463,KVMoO6,-7.832777208099999,-2.197211942,0.0228366312,0.0228366312,GGA+U,Pnma,ABC6D_oP36_62_c_c_6c_c:K-Mo-O-V,36.0,ABC6D_oP36_62_c_c_6c_c:K-Mo-O-V +mp-1099606,K3Na5V3Mo5O24,-7.3789144022,-2.1253063738,0.1108094154,0.1108094154,GGA+U,P1,A3B5C5D24E3_aP40_1_3a_5a_5a_24a_3a:K-Mo-Na-O-V,40.0,A3B5C5D24E3_aP40_1_3a_5a_5a_24a_3a:K-Mo-Na-O-V +mp-1099867,KNa3V2(MoO6)2,-7.3875545218,-2.1726869356,0.0930172406,0.0930172406,GGA+U,Cmm2,AB2C3D12E2_oC80_35_d_2ac_d2e_2a2b2c4f_2bc:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - AB2C3D12E2_oC80_35_d_2ac_d4e_2a2b4c16f_2bc:K-Mo-Na-O-V, expected KNa5V2(MoO19)2 to be KNa3V2(MoO6)2" +mp-1076484,K3Na5V2(MoO4)6,-7.3896998165,-2.092048187,0.1087991061,0.1087991061,GGA+U,Pm,A3B6C5D24E2_mP40_6_2ab_3c_2a3b_4a4b8c_c:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - A3B6C5D24E2_mP40_6_2ab_6c_2a3b_4a4b16c_c:K-Mo-Na-O-V, expected K3Na5V2(Mo3O10)4 to be K3Na5V2(MoO4)6" +mp-1076630,KNa7V8O20,-7.3766676686,-2.321859369,0.0747187737,0.0747187737,GGA+U,Cc,AB7C20D8_mC144_9_a_7a_20a_8a:K-Na-O-V,72.0,"Invalid WP multiplicities - AB7C20D8_mC144_9_a_14a_40a_16a:K-Na-O-V, expected KNa14V16O40 to be KNa7V8O20" +mp-1220800,NaVMoO6,-7.8350518289,-2.1759169688,0.0099670275,0.0099670275,GGA+U,Cm,ABC6D_mC18_8_a_a_6a_a:Mo-Na-O-V,9.0,ABC6D_mC18_8_a_a_6a_a:Mo-Na-O-V +mp-1076540,K3Na5VMo7O20,-7.3075088507,-1.921924007,0.1615069558,0.1615069558,GGA+U,P1,A3B7C5D20E_aP144_1_12a_28a_20a_80a_4a:K-Mo-Na-O-V,144.0,A3B7C5D20E_aP144_1_12a_28a_20a_80a_4a:K-Mo-Na-O-V +mp-1220962,NaV5MoO15,-8.2643994041,-2.2740341122,0.0308555773,0.0308555773,GGA+U,Cm,ABC15D5_mC44_8_a_a_15a_5a:Mo-Na-O-V,22.0,ABC15D5_mC44_8_a_a_15a_5a:Mo-Na-O-V +mp-1076351,KNa7V6(MoO12)2,-7.3255221665,-2.1934386237,0.1309317279,0.1309317279,GGA+U,Amm2,AB2C7D24E6_oC80_38_a_c_a2bde_2a2bde4f_cf:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - AB2C7D24E6_oC80_38_a_c_a2b2d2e_2a2b2d2e8f_cf:K-Mo-Na-O-V, expected KNa11V6(MoO22)2 to be KNa7V6(MoO12)2" +mp-1181458,Na3V(MoO7)3,-6.3686211818,-1.0304463526,0.5006605781,0.5006605781,GGA+U,P-1,A3B3C21D_aP56_2_3i_3i_21i_i:Mo-Na-O-V,56.0,A3B3C21D_aP56_2_3i_3i_21i_i:Mo-Na-O-V +mp-728692,Na3V(MoO7)3,-6.3876809616,-1.0495061324,0.4816007983,0.4816007983,GGA+U,P-1,A3B3C21D_aP56_2_3i_3i_21i_i:Mo-Na-O-V,56.0,A3B3C21D_aP56_2_3i_3i_21i_i:Mo-Na-O-V +mp-1223519,KNa7V8O24,-7.4246127842,-2.3806164435,0.0036435364,0.0036435364,GGA+U,P2,AB7C24D8_mP40_3_a_a2b2c2d_12e_4e:K-Na-O-V,40.0,"Invalid WP multiplicities - AB7C24D8_mP40_3_a_a2b2c2d_24e_8e:K-Na-O-V, expected KNa7V16O48 to be KNa7V8O24" +mp-1099664,KNa7V8O24,-7.2747554588,-2.230759118,0.1535008619,0.1535008619,GGA+U,Pm-3m,AB7C24D8_cP40_221_a_bcd_ij_g:K-Na-O-V,40.0,"Invalid WP multiplicities - AB7C24D8_cP40_221_a_b3c3d_6i6j_g:K-Na-O-V, expected KNa19V8O144 to be KNa7V8O24" +mp-1099669,KNa7V7MoO20,-7.3782383835,-2.2744927494,0.0851619243,0.0851619243,GGA+U,P1,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:K-Mo-Na-O-V,144.0,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:K-Mo-Na-O-V +mp-1099868,KNa3V2(MoO5)2,-7.3832638155,-2.1385985766,0.090373179,0.090373179,GGA+U,P1,AB2C3D10E2_aP144_1_8a_16a_24a_80a_16a:K-Mo-Na-O-V,144.0,AB2C3D10E2_aP144_1_8a_16a_24a_80a_16a:K-Mo-Na-O-V +mp-1076545,K2Na6V5Mo3O20,-7.3820774775,-2.1863495731,0.0908537309,0.0908537309,GGA+U,P1,A2B3C6D20E5_aP144_1_8a_12a_24a_80a_20a:K-Mo-Na-O-V,144.0,A2B3C6D20E5_aP144_1_8a_12a_24a_80a_20a:K-Mo-Na-O-V +mp-1076509,K4Na4VMo7O20,-7.2813971776,-1.9017047325,0.1870769539,0.1870769539,GGA+U,P1,A4B7C4D20E_aP144_1_16a_28a_16a_80a_4a:K-Mo-Na-O-V,144.0,A4B7C4D20E_aP144_1_16a_28a_16a_80a_4a:K-Mo-Na-O-V +mp-1076888,K3Na5V3(MoO4)5,-7.329769877,-2.0420597022,0.1419656048,0.1419656048,GGA+U,P1,A3B5C5D20E3_aP144_1_12a_20a_20a_80a_12a:K-Mo-Na-O-V,144.0,A3B5C5D20E3_aP144_1_12a_20a_20a_80a_12a:K-Mo-Na-O-V +mp-1204526,K4NaV10O38,-6.4861268638,-1.1167428485,0.7962422831,0.7962422831,GGA+U,P2/c,A4BC38D10_mP106_13_2g_e_2e18g_5g:K-Na-O-V,106.0,A4BC38D10_mP106_13_2g_e_2e18g_5g:K-Na-O-V +mp-1076222,KNa7V7MoO24,-7.307594557,-2.2195546152,0.1365333992,0.1365333992,GGA+U,R3m,ABC7D24E7_hR120_160_a_a_a2b_4b2c_a2b:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - ABC7D24E7_hR120_160_a_a_a6b_12b10c_a4b:K-Mo-Na-O-V, expected KNa19V13MoO96 to be KNa7V7MoO24" +mp-1099956,KNa7V6(MoO10)2,-7.3377653049,-2.1850823364,0.1337270872,0.1337270872,GGA+U,P1,AB2C7D20E6_aP144_1_4a_8a_28a_80a_24a:K-Mo-Na-O-V,144.0,AB2C7D20E6_aP144_1_4a_8a_28a_80a_24a:K-Mo-Na-O-V +mp-1099629,K2Na6V5(MoO8)3,-7.34713616,-2.1763121749,0.1237960396,0.1237960396,GGA+U,P2,A2B3C6D24E5_mP40_3_e_a2b_3e_2a2b2c2d8e_a2c2d:K-Mo-Na-O-V,40.0,"Invalid WP multiplicities - A2B3C6D24E5_mP40_3_e_a2d_5e_2a2b2c2d16e_a2b2c:K-Mo-Na-O-V, expected K2Na10V5Mo3O40 to be K2Na6V5(MoO8)3" +mp-772753,Li3ZnPCO7,-6.6948044123,-2.3674735517,0.0419404835,0.0419404835,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-Zn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Li-O-P-Zn, expected Li5ZnPCO13 to be Li3ZnPCO7" +mp-767295,Li3ZnPCO7,-6.6833700765,-2.3560392159,0.0533748192,0.0533748192,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-P-Zn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Li-O-P-Zn, expected Li4ZnPCO13 to be Li3ZnPCO7" +mp-1191020,CeC8N4(Cl2O3)2,-5.8735335817,0.6561477966,1.8593429009,1.8593429009,GGA,I-4m2,A8BC4D4E6_tI46_119_2i_a_g_cde_ei:C-Ce-Cl-N-O,23.0,A8BC4D4E6_tI46_119_2i_a_g_cde_ei:C-Ce-Cl-N-O +mp-1202752,CNClO4,-5.1145275441,0.4855370162,1.538739433,1.538739433,GGA,P2_1/c,ABCD4_mP56_14_2e_2e_2e_8e:C-Cl-N-O,56.0,ABCD4_mP56_14_2e_2e_2e_8e:C-Cl-N-O +mp-627409,Ce5C2Cl9,-6.1529203141,-2.1054448953,0.021251248,0.021251248,GGA,P-1,A2B5C9_aP32_2_2i_5i_bd8i:C-Ce-Cl,32.0,"Invalid WP multiplicities - A2B5C9_aP32_2_4i_8i_bd14i:C-Ce-Cl, expected Ce8C4Cl15 to be Ce5C2Cl9" +mp-657985,Ce5C2Cl9,-6.1531133809,-2.1056379622,0.0210581811,0.0210581811,GGA,P-1,A2B5C9_aP32_2_2i_5i_be8i:C-Ce-Cl,32.0,"Invalid WP multiplicities - A2B5C9_aP32_2_4i_8i_be14i:C-Ce-Cl, expected Ce8C4Cl15 to be Ce5C2Cl9" +mp-583042,Ce8C8Cl5,-7.3504379426,-1.134403634,0.0,-0.0093758764,GGA,P2_1/c,A8B8C5_mP42_14_4e_4e_a2e:C-Ce-Cl,42.0,"Invalid WP multiplicities - A8B8C5_mP42_14_15e_14e_2a6e:C-Ce-Cl, expected Ce14C15Cl7 to be Ce8C8Cl5" +mp-580802,Ce3CCl5,-6.1295449033,-2.0994764303,0.0,-0.0128657844,GGA,C2/c,AB3C5_mC72_15_f_3f_5f:C-Ce-Cl,36.0,"Invalid WP multiplicities - AB3C5_mC72_15_f_11f_17f:C-Ce-Cl, expected Ce11CCl17 to be Ce3CCl5" +mp-1078814,Ce2C2Cl,-7.449921047,-1.015511856,0.0,-0.0285271503,GGA,C2/c,A2B2C_mC20_15_f_f_e:C-Ce-Cl,10.0,A2B2C_mC20_15_f_f_e:C-Ce-Cl +mp-1025352,Ce2C(NO)2,-9.1396288671,-2.3308844279,0.0,-0.0268682832,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Ce-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Ce-N-O +mp-1196346,Ce18C18Cl11,-7.34618993,-1.106924251,0.0148313216,0.0148313216,GGA,P-1,A18B18C11_aP47_2_9i_9i_a5i:C-Ce-Cl,47.0,A18B18C11_aP47_2_9i_9i_a5i:C-Ce-Cl +mp-1213870,Ce2CN3Cl,-8.38332783,-1.5329185104,0.0,-0.0522021774,GGA,Cmmm,AB2CD3_oC28_65_e_gj_j_hp:C-Ce-Cl-N,14.0,AB2CD3_oC28_65_e_gj_j_hp:C-Ce-Cl-N +mp-722003,CNClO,-5.2023093894,0.8877870578,1.7589327012,1.7589327012,GGA,Cmce,ABCD_oC32_64_f_f_f_f:C-Cl-N-O,16.0,ABCD_oC32_64_f_f_f_f:C-Cl-N-O +mp-729919,C3NClO,-6.3839991579,0.7522869710000001,1.3417873416,1.3417873416,GGA,Pnma,A3BCD_oP24_62_cd_c_c_c:C-Cl-N-O,24.0,A3BCD_oP24_62_cd_c_c_c:C-Cl-N-O +mp-1190863,C3NClO,-6.4987633217,0.6375228073,1.2270231778,1.2270231778,GGA,Pnma,A3BCD_oP24_62_cd_c_c_c:C-Cl-N-O,24.0,A3BCD_oP24_62_cd_c_c_c:C-Cl-N-O +mp-729935,C2NClO,-7.074536029,-0.3567257727,0.3506746719,0.3506746719,GGA,P-1,A2BCD_aP10_2_2i_i_i_i:C-Cl-N-O,10.0,A2BCD_aP10_2_2i_i_i_i:C-Cl-N-O +mp-1212157,Na2RhW3(SO4)2,-6.5400165634,-0.4943816528,1.427253694,1.427253694,GGA+U,P2_1/c,A2B8CD2E3_mP64_14_2e_8e_e_2e_3e:Na-O-Rh-S-W,64.0,A2B8CD2E3_mP64_14_2e_8e_e_2e_3e:Na-O-Rh-S-W +mp-1223444,Na4RhW5O26,-6.8602116129,-1.1363514272,0.573329461,0.573329461,GGA+U,P-1,A4B26CD5_aP72_2_be3i_26i_i_5i:Na-O-Rh-W,72.0,"Invalid WP multiplicities - A4B26CD5_aP72_2_be3i_46i_i_9i:Na-O-Rh-W, expected Na4RhW9O46 to be Na4RhW5O26" +mp-1210084,NaRh(SO4)2,-6.4694225217,-1.7583189727,0.0,-0.0540106681,GGA,C2/m,AB8CD2_mC24_12_a_2ij_c_i:Na-O-Rh-S,12.0,AB8CD2_mC24_12_a_2ij_d_i:Na-O-Rh-S +mp-1203876,Na2RhS2O11,-5.7510833366,-1.2075937107,0.4382879902,0.4382879902,GGA,P2_1/c,A2B11CD2_mP64_14_2e_11e_e_2e:Na-O-Rh-S,64.0,A2B11CD2_mP64_14_2e_11e_e_2e:Na-O-Rh-S +mp-1202876,Co2H2CO5,-6.9471315253,-1.4507118524,0.0268831273,0.0268831273,GGA+U,P2_1/c,AB2C2D5_mP40_14_e_2e_2e_5e:C-Co-H-O,40.0,AB2C2D5_mP40_14_e_2e_2e_5e:C-Co-H-O +mp-1203827,CoH2(CO2)2,-6.9865379669,-1.1934428874,0.1627700331,0.1627700331,GGA+U,P2_1/c,A2BC2D4_mP108_14_6e_ab2e_6e_12e:C-Co-H-O,108.0,A2BC2D4_mP108_14_6e_ab2e_6e_12e:C-Co-H-O +mp-1022803,CoHCO4,-7.1028563143,-1.4576471461,0.0494670929,0.0494670929,GGA+U,P6_3/m,ABCD4_hP42_176_h_g_h_2hi:C-Co-H-O,42.0,"Invalid WP multiplicities - ABCD4_hP42_176_h_g_h_11h4i:C-Co-H-O, expected CoHCO19 to be CoHCO4" +mp-1204386,CoH8(CO4)2,-6.2144619704,-1.3575689793,0.0319004084,0.0319004084,GGA+U,P-1,A2BC8D8_aP57_2_3i_ai_12i_12i:C-Co-H-O,57.0,A2BC8D8_aP57_2_3i_ai_12i_12i:C-Co-H-O +mp-1200121,CoH8(CO2)4,-6.3930182002,-1.1197659233,0.1373730465,0.1373730465,GGA+U,C2/c,A4BC8D8_mC84_15_2f_c_4f_4f:C-Co-H-O,42.0,A4BC8D8_mC84_15_2f_c_4f_4f:C-Co-H-O +mp-698267,CoHCO3,-6.7756945839,-1.0140653395,0.4675251411,0.4675251411,GGA+U,P-1,ABCD3_aP36_2_3i_3i_3i_9i:C-Co-H-O,36.0,ABCD3_aP36_2_6i_6i_6i_18i:C-Co-H-O +mp-600169,CoHCO3,-6.904125015,-1.1424957706,0.33909471,0.33909471,GGA+U,R-3,ABCD3_hR108_148_f_f_f_3f:C-Co-H-O,36.0,"Invalid WP multiplicities - ABCD3_hR108_148_f_f_f_11f:C-Co-H-O, expected CoHCO11 to be CoHCO3" +mp-24296,CoH4(CO3)2,-6.7044527033,-1.4108615319,0.0281841791,0.0281841791,GGA+U,C2/c,A2BC4D6_mC52_15_f_e_2f_3f:C-Co-H-O,52.0,A2BC4D6_mC52_15_f_e_2f_3f:C-Co-H-O +mp-772431,CoH8(CO5)2,-6.215713864,-1.3502688996,0.0460357995,0.0460357995,GGA+U,P2_1/c,A2BC8D10_mP42_14_e_a_4e_5e:C-Co-H-O,42.0,"Invalid WP multiplicities - A2BC8D10_mP42_14_e_a_15e_17e:C-Co-H-O, expected CoH30(CO17)2 to be CoH8(CO5)2" +mp-1204815,CoH2CO3,-6.5777540343,-1.1545395327,0.1910792593,0.1910792593,GGA+U,R-3,ABC2D3_hR126_148_f_f_2f_3f:C-Co-H-O,42.0,ABC2D3_hR126_148_f_f_2f_3f:C-Co-H-O +mp-542742,CoH6(CO3)2,-6.2381302843,-1.1979877965,0.128561564,0.128561564,GGA+U,P2_1/c,A2BC6D6_mP60_14_2e_ad_6e_6e:C-Co-H-O,60.0,A2BC6D6_mP60_14_2e_ab_6e_6e:C-Co-H-O +mp-1196066,CoH6(CO3)2,-6.293842055,-1.2536995672,0.0728497933,0.0728497933,GGA+U,P2_1/c,A2BC6D6_mP90_14_3e_ae_9e_9e:C-Co-H-O,90.0,A2BC6D6_mP90_14_3e_ae_9e_9e:C-Co-H-O +mp-540895,CsCo(CO)4,-7.461106508,-0.9905928098,0.3268972393,0.3268972393,GGA+U,I-4,A4BCD4_tI20_82_g_a_c_g:C-Co-Cs-O,10.0,A4BCD4_tI20_82_g_a_c_g:C-Co-Cs-O +mp-17035,K3Sc(PO4)2,-7.243319866,-2.9530498196,0.0,-0.0600887779,GGA,P-3,A3B8C2D_hP42_147_adg_4g_g_bd:K-O-P-Sc,42.0,A3B8C2D_hP42_147_adg_4g_g_bd:K-O-P-Sc +mp-1225084,K2Sc2Mo(PO6)2,-8.0012111972,-2.9528819466,0.0,-0.0106728793,GGA+U,P1,A2BC12D2E2_aP76_1_8a_4a_48a_8a_8a:K-Mo-O-P-Sc,76.0,A2BC12D2E2_aP76_1_8a_4a_48a_8a_8a:K-Mo-O-P-Sc +mp-1203272,H13C2Cl3O8,-5.3185830415,-1.1769719169,0.0859372933,0.0859372933,GGA,P-1,A2B3C13D8_aP52_2_2i_3i_13i_8i:C-Cl-H-O,52.0,A2B3C13D8_aP52_2_2i_3i_13i_8i:C-Cl-H-O +mp-1212514,HC3ClO2,-6.8921195657,-0.7748857650000001,0.2168945371,0.2168945371,GGA,P2_1/c,A3BCD2_mP28_14_3e_e_e_2e:C-Cl-H-O,28.0,A3BCD2_mP28_14_3e_e_e_2e:C-Cl-H-O +mp-559535,H5C2ClO,-5.1773209083,-0.4866335104,0.2192650932,0.2192650932,GGA,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:C-Cl-H-O,36.0,"Invalid WP multiplicities - A2BC5D_mP36_14_5e_e_18e_e:C-Cl-H-O, expected H18C5ClO to be H5C2ClO" +mp-738610,LiH20C8ClO4,-5.3571123666,-0.4974635663,0.1929535015,0.1929535015,GGA,C2/c,A8BC20DE4_mC136_15_4f_e_10f_e_2f:C-Cl-H-Li-O,68.0,A8BC20DE4_mC136_15_4f_e_10f_e_2f:C-Cl-H-Li-O +mp-768592,Na2SnBPO7,-6.896621175,-2.4487763668,0.0940958289,0.0940958289,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Na-O-P-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:B-Na-O-P-Sn, expected Na2SnBPO13 to be Na2SnBPO7" +mp-1203559,Ba(BH)12,-5.3626727764,-0.4512972272,0.0,-0.1700277195,GGA,P31c,A12BC12_hP50_159_4c_b_4c:B-Ba-H,50.0,A12BC12_hP50_159_4c_b_4c:B-Ba-H +mp-1202880,BaB8H4O15,-7.7219270012,-2.6103075742,0.0,-0.0146502453,GGA,P2_1/c,A8BC4D15_mP112_14_8e_e_4e_15e:B-Ba-H-O,112.0,A8BC4D15_mP112_14_8e_e_4e_15e:B-Ba-H-O +mp-1199077,Ba2B6H4O13,-7.5025954398,-2.6309091226,0.002160703,0.002160703,GGA,P2_1,A6B2C4D13_mP50_4_6a_2a_4a_13a:B-Ba-H-O,50.0,A6B2C4D13_mP50_4_6a_2a_4a_13a:B-Ba-H-O +mp-720736,BaB2(HO)8,-5.6452302836,-1.3298052029,0.6264750883,0.6264750883,GGA,P2_1/c,A2BC8D8_mP152_14_4e_2e_16e_16e:B-Ba-H-O,152.0,A2BC8D8_mP152_14_4e_2e_16e_16e:B-Ba-H-O +mp-1197500,Ba3Li2B10(H3O11)2,-7.4184490343,-2.6381654022000003,0.0019593191,0.0019593191,GGA,C2/c,A10B3C6D2E22_mC172_15_5f_ef_3f_f_11f:B-Ba-H-Li-O,86.0,A10B3C6D2E22_mC172_15_5f_ef_3f_f_11f:B-Ba-H-Li-O +mp-1201057,BaB12(H2O)6,-5.1778703226000005,-0.2596599678,0.9400810926,0.9400810926,GGA,Cmcm,A12BC12D6_oC124_63_2f2h_c_2f2h_gh:B-Ba-H-O,62.0,A12BC12D6_oC124_63_2f2h_c_2f2h_gh:B-Ba-H-O +mp-757727,BaB2H2O5,-7.2355213185,-2.5558559057,0.0072280293,0.0072280293,GGA,P2/c,A2BC2D5_mP60_13_ef2g_eg_3g_f7g:B-Ba-H-O,60.0,"Invalid WP multiplicities - A2BC2D5_mP60_13_ef4g_eg_5g_f22g:B-Ba-H-O, expected Ba3B10(H2O9)5 to be BaB2H2O5" +mp-703591,Ba5B20(H2O19)2,-7.9421484946,-2.7969576689,0.0274141607,0.0274141607,GGA,P2,A20B5C4D38_mP67_3_10e_a2e_2e_ac18e:B-Ba-H-O,67.0,A20B5C4D38_mP67_3_10e_a2e_2e_ad18e:B-Ba-H-O +mp-720267,BaB2H10O9,-5.7652883290000005,-1.5050511775,0.3592891678,0.3592891678,GGA,P2_1/c,A2BC10D9_mP88_14_2e_e_10e_9e:B-Ba-H-O,88.0,A2BC10D9_mP88_14_2e_e_10e_9e:B-Ba-H-O +mp-1182666,BaB2H10O9,-5.7854769602000005,-1.5252398087,0.3391005365,0.3391005365,GGA,P2_1/c,A2BC10D9_mP88_14_2e_e_10e_9e:B-Ba-H-O,88.0,A2BC10D9_mP88_14_2e_e_10e_9e:B-Ba-H-O +mp-2647015,Ba(BH4)2,-4.370610472,-0.5142862137,0.0,-0.2055280669,GGA,Pbcn,A2BC8_oP44_60_d_c_4d:B-Ba-H,44.0,A2BC8_oP44_60_d_c_4d:B-Ba-H +mp-1198110,Ba2B5HO10,-7.9367423181,-2.9314911019,0.0,-0.0014378943,GGA,P2_1/c,A5B2CD10_mP72_14_5e_2e_e_10e:B-Ba-H-O,72.0,A5B2CD10_mP72_14_5e_2e_e_10e:B-Ba-H-O +mp-1199009,Ba3B6H2O13,-7.7552447796,-2.8833414137,0.0,-0.0114376769,GGA,Pc,A6B3C2D13_mP48_7_6a_3a_2a_13a:B-Ba-H-O,48.0,A6B3C2D13_mP48_7_6a_3a_2a_13a:B-Ba-H-O +mp-1196038,Ba2B11H7O22,-7.568955938,-2.5716346684,0.0,-0.0022591515,GGA,P-1,A11B2C7D22_aP84_2_11i_2i_7i_22i:B-Ba-H-O,84.0,A11B2C7D22_aP84_2_11i_2i_7i_22i:B-Ba-H-O +mp-707419,NaB(HO)4,-5.9519786037,-1.8160209948,0.0061265321,0.0061265321,GGA,P2_1/c,AB4CD4_mP40_14_e_4e_e_4e:B-H-Na-O,40.0,AB4CD4_mP40_14_e_4e_e_4e:B-H-Na-O +mp-721727,NaBH8O7,-5.6199362576,-1.5157864692,0.0085546714,0.0085546714,GGA,P-1,AB8CD7_aP34_2_i_8i_ad_7i:B-H-Na-O,34.0,AB8CD7_aP34_2_i_8i_ad_7i:B-H-Na-O +mp-720593,Na2B5H5O11,-6.9487030251,-2.2783023516,0.0124569871,0.0124569871,GGA,Pna2_1,A5B5C2D11_oP92_33_5a_5a_2a_11a:B-H-Na-O,92.0,A5B5C2D11_oP92_33_5a_5a_2a_11a:B-H-Na-O +mp-721294,NaB5(H2O5)2,-7.2554525481,-2.3675887761,0.0,-0.0073589646,GGA,P2_1/c,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-Na-O,80.0,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-Na-O +mp-1199996,NaB7(H9O10)2,-6.373318969,-1.8498165619,0.0788169967,0.0788169967,GGA,P2_1/c,A7B18CD20_mP184_14_7e_18e_e_20e:B-H-Na-O,184.0,A7B18CD20_mP184_14_7e_18e_e_20e:B-H-Na-O +mp-706631,Na2B3HO6,-7.1802398374,-2.5338994864,0.0,-0.0065668131,GGA,P2_1/c,A3BC2D6_mP96_14_6e_2e_4e_12e:B-H-Na-O,96.0,A3BC2D6_mP96_14_6e_2e_4e_12e:B-H-Na-O +mp-23784,NaB(H4O)2,-4.5335917159,-0.7804998120000001,0.0942652333,0.0942652333,GGA,Pbca,AB8CD2_oP96_61_c_8c_c_2c:B-H-Na-O,96.0,"Invalid WP multiplicities - AB8CD2_oP96_61_c_11c_c_2c:B-H-Na-O, expected NaBH11O2 to be NaB(H4O)2" +mp-722369,Na3B5(HO5)2,-7.1863529206,-2.5055092238,0.0054786046,0.0054786046,GGA,Pca2_1,A5B2C3D10_oP80_29_5a_2a_3a_10a:B-H-Na-O,80.0,A5B2C3D10_oP80_29_5a_2a_3a_10a:B-H-Na-O +mp-706629,NaB2H5O6,-6.3353578726,-1.9549956349,0.0096582836,0.0096582836,GGA,R32,A2B5CD6_hR252_155_2f_5f_acd_2e5f:B-H-Na-O,84.0,A2B5CD6_hR252_155_2f_5f_acd_2e5f:B-H-Na-O +mp-1195228,NaB5H8O13,-6.6070339864,-1.9341359955,0.1045343617,0.1045343617,GGA,C2/c,A5B8CD13_mC216_15_5f_8f_2e_13f:B-H-Na-O,108.0,A5B8CD13_mC216_15_5f_8f_2e_13f:B-H-Na-O +mp-1203588,Na3B3(HO2)4,-6.4683301458,-2.1822098646,0.0,-0.0007764293,GGA,Cc,A3B4C3D8_mC72_9_3a_4a_3a_8a:B-H-Na-O,36.0,A3B4C3D8_mC72_9_3a_4a_3a_8a:B-H-Na-O +mp-706655,Na2B4H8O11,-6.4823358559,-2.0456157817,0.0009501245,0.0009501245,GGA,P2_1/c,A4B8C2D11_mP100_14_4e_8e_2e_11e:B-H-Na-O,100.0,A4B8C2D11_mP100_14_4e_8e_2e_11e:B-H-Na-O +mp-540721,NaB5H10O13,-6.6133871698,-2.0287768993,0.0019217802,0.0019217802,GGA,C2/c,A5B10CD13_mC232_15_5f_10f_2e_13f:B-H-Na-O,116.0,A5B10CD13_mC232_15_5f_10f_2e_13f:B-H-Na-O +mp-706489,NaB2HO4,-7.1964811848,-2.4638824691,0.0123675735,0.0123675735,GGA,Pbca,A2BCD4_oP128_61_4c_2c_2c_8c:B-H-Na-O,128.0,A2BCD4_oP128_61_4c_2c_2c_8c:B-H-Na-O +mp-720583,Na3B3H2O7,-6.7225109357,-2.3613093182,0.0,-0.0066802372,GGA,Pnma,A3B2C3D7_oP60_62_3c_d_cd_5cd:B-H-Na-O,60.0,A3B2C3D7_oP60_62_3c_d_cd_5cd:B-H-Na-O +mp-696849,NaB(H4O3)2,-5.3435221475,-1.2920310418,0.3275814202,0.3275814202,GGA,P-1,AB8CD6_aP32_2_i_8i_i_6i:B-H-Na-O,32.0,AB8CD6_aP32_2_i_8i_i_6i:B-H-Na-O +mp-720642,NaB3H4O7,-6.8290593477,-2.1918309634,0.0,-0.0029117543,GGA,C2/c,A3B4CD7_mC120_15_3f_4f_f_7f:B-H-Na-O,60.0,A3B4CD7_mC120_15_3f_4f_f_7f:B-H-Na-O +mp-720312,Na2B5H3O10,-7.2198579472,-2.4355042128,0.0048626868,0.0048626868,GGA,P2_1/c,A5B3C2D10_mP160_14_10e_6e_4e_20e:B-H-Na-O,160.0,A5B3C2D10_mP160_14_10e_6e_4e_20e:B-H-Na-O +mp-720406,Na2B5H5O12,-6.7642599215,-2.0823472464,0.1129637866,0.1129637866,GGA,P-1,A5B5C2D12_aP48_2_5i_5i_2i_12i:B-H-Na-O,48.0,A5B5C2D12_aP48_2_5i_5i_2i_12i:B-H-Na-O +mp-707151,Na2B4H20O17,-5.9247405734,-1.7082092557,0.0183284193,0.0183284193,GGA,C2/c,A4B20C2D17_mC172_15_2f_10f_ae_e8f:B-H-Na-O,86.0,A4B20C2D17_mC172_15_2f_10f_ce_e8f:B-H-Na-O +mp-720296,Na3B5H4O11,-6.9242035538,-2.3438116087,0.0068805056,0.0068805056,GGA,Pbca,A5B4C3D11_oP184_61_5c_4c_3c_11c:B-H-Na-O,184.0,A5B4C3D11_oP184_61_5c_4c_3c_11c:B-H-Na-O +mp-1221784,Na10B18H6O35,-7.28681113,-2.5484811884000003,0.0,-0.0012951811,GGA,P1,A18B6C10D35_aP69_1_18a_6a_10a_35a:B-H-Na-O,69.0,A18B6C10D35_aP69_1_18a_6a_10a_35a:B-H-Na-O +mp-556125,Na2BHO3,-6.1266658557,-2.1899180648,0.0,-0.0195097491,GGA,Pnma,ABC2D3_oP28_62_c_c_2c_3c:B-H-Na-O,28.0,"Invalid WP multiplicities - ABC2D3_oP28_62_c_c_5c_12c:B-H-Na-O, expected Na5BHO12 to be Na2BHO3" +mp-1203229,RbB6(HO)8,-5.9761926043,-1.2904446588,0.4643031477,0.4643031477,GGA,Cmce,A6B8C8D_oC184_64_2f2g_2f3g_2f3g_d:B-H-O-Rb,92.0,A6B8C8D_oC184_64_2f2g_2f3g_2f3g_d:B-H-O-Rb +mp-1197195,Rb2B7H5O14,-7.233172197,-2.414097814,0.0,-0.0045335867,GGA,P2_1/c,A7B5C14D2_mP112_14_7e_5e_14e_2e:B-H-O-Rb,112.0,A7B5C14D2_mP112_14_7e_5e_14e_2e:B-H-O-Rb +mp-1179953,RbNaB4H4O13,-6.5124033359,-1.8646431674,0.0292253857,0.0292253857,GGA,P2_1/c,A4B4CD13E_mP92_14_4e_4e_e_13e_e:B-H-Na-O-Rb,92.0,A4B4CD13E_mP92_14_4e_4e_e_13e_e:B-H-Na-O-Rb +mp-1200736,RbNaB4H4O13,-6.239960025,-1.5921998565000002,0.3016686965,0.3016686965,GGA,P2_1/c,A4B4CD13E_mP92_14_4e_4e_e_13e_e:B-H-Na-O-Rb,92.0,A4B4CD13E_mP92_14_4e_4e_e_13e_e:B-H-Na-O-Rb +mp-707349,RbB6H8O7,-6.0569290259,-1.3830420243,0.2581240726,0.2581240726,GGA,C2/c,A6B8C7D_mC176_15_6f_8f_7f_f:B-H-O-Rb,88.0,A6B8C7D_mC176_15_6f_8f_7f_f:B-H-O-Rb +mp-1202047,RbB6H8O7,-6.0241336915,-1.3502466898,0.290919407,0.290919407,GGA,Cmce,A6B8C7D_oC176_64_2f2g_2f3g_e2f2g_d:B-H-O-Rb,88.0,A6B8C7D_oC176_64_2f2g_2f3g_e2f2g_d:B-H-O-Rb +mp-698164,Rb2B10H6O19,-7.4121787723,-2.4635726199,0.0,-0.0017784991,GGA,P-1,A10B6C19D2_aP74_2_10i_6i_19i_2i:B-H-O-Rb,74.0,"Invalid WP multiplicities - A10B6C19D2_aP74_2_19i_11i_37i_3i:B-H-O-Rb, expected Rb3B19H11O37 to be Rb2B10H6O19" +mp-721194,RbB5(H2O3)4,-5.7335890848,-1.0843750147,1.0389323074,1.0389323074,GGA,Aea2,A5B8C12D_oC104_41_a2b_4b_6b_a:B-H-O-Rb,52.0,A5B8C12D_oC104_41_a2b_4b_6b_a:B-H-O-Rb +mp-1211577,KSr2Si4O10F,-7.6547418663,-3.345351641,0.0,-0.0076423802,GGA,P2_1/c,ABC10D4E2_mP72_14_e_e_10e_4e_2e:F-K-O-Si-Sr,72.0,ABC10D4E2_mP72_14_e_e_10e_4e_2e:F-K-O-Si-Sr +mp-1192835,ZrH6(OF3)2,-5.7263835047,-2.3752962962,0.0,-0.0154221918,GGA,C2/c,A6B6C2D_mC60_15_3f_3f_f_e:F-H-O-Zr,30.0,A6B6C2D_mC60_15_3f_3f_f_e:F-H-O-Zr +mp-706386,ZrH6O3F4,-5.9262431986,-2.255526134,0.0005986213,-0.00188592,GGA,P-1,A4B6C3D_aP28_2_4i_6i_3i_i:F-H-O-Zr,28.0,A4B6C3D_aP28_2_4i_6i_3i_i:F-H-O-Zr +mp-1201375,ZrH6O3F4,-5.9268418198,-2.2561247553,0.0,-0.0024845413,GGA,P2_1/c,A4B6C3D_mP56_14_4e_6e_3e_e:F-H-O-Zr,56.0,A4B6C3D_mP56_14_4e_6e_3e_e:F-H-O-Zr +mp-707940,ZrCd2H12(O3F4)2,-5.3225259528,-2.0094860666,0.0,-0.0091922602,GGA,C2/c,A2B8C12D6E_mC116_15_f_4f_6f_3f_e:Cd-F-H-O-Zr,58.0,A2B8C12D6E_mC116_15_f_4f_6f_3f_e:Cd-F-H-O-Zr +mp-1191077,KCdCl3O,-2.9135157271,-0.8259178274000001,0.770979708,0.770979708,GGA,Pnma,AB3CD_oP24_62_c_3c_c_c:Cd-Cl-K-O,24.0,AB3CD_oP24_62_c_3c_c_c:Cd-Cl-K-O +mp-560688,K4V5CdClO15,-7.2173616004,-2.339173784,0.0,-0.0108199162,GGA+U,P4,ABC4D15E5_tP26_75_a_a_d_bc3d_bd:Cd-Cl-K-O-V,26.0,"Invalid WP multiplicities - ABC4D15E5_tP26_75_a_a_d_b2c9d_b2d:Cd-Cl-K-O-V, expected K4V9CdClO41 to be K4V5CdClO15" +mp-697960,Ba2Na2B10H2O19,-7.7672941129,-2.7944525192,0.002119722,0.002119722,GGA,C2,A10B2C2D2E19_mC70_5_5c_c_c_2a_b9c:B-Ba-H-Na-O,35.0,A10B2C2D2E19_mC70_5_5c_c_c_2a_b9c:B-Ba-H-Na-O +mp-581403,K3Na4Si3BF22,-5.6068058621,-3.3756185542,0.0026891129,0.0026891129,GGA,Imm2,AB22C3D4E3_oI66_44_a_2b3cd3e_ac_2c_bc:B-F-K-Na-Si,33.0,"Invalid WP multiplicities - AB22C3D4E3_oI66_44_a_2b5c2d10e_ac_3c_b2c:B-F-K-Na-Si, expected K3Na6Si5BF56 to be K3Na4Si3BF22" +mp-3521,NaBF4,-5.8419144508,-3.2339422951,0.0,-0.1795505485,GGA,Cmcm,AB4C_oC24_63_c_fg_c:B-F-Na,12.0,AB4C_oC24_63_c_fg_c:B-F-Na +mp-1205091,KB6F6,-6.1401859904,-2.0897534229,0.0744231812,0.0744231812,GGA,C2/c,A6B6C_mC104_15_6f_6f_ae:B-F-K,52.0,A6B6C_mC104_15_6f_6f_ce:B-F-K +mp-676049,KBF4,-5.8045368217,-3.231919057,0.0738720996,-0.1783916544,GGA,P1,AB4C_aP6_1_a_4a_a:B-F-K,6.0,AB4C_aP6_1_a_4a_a:B-F-K +mp-4929,KBF4,-5.8784089212,-3.3057911566,0.0,-0.252263754,GGA,Pnma,AB4C_oP24_62_c_2cd_c:B-F-K,24.0,"Invalid WP multiplicities - AB4C_oP24_62_c_2c2d_c:B-F-K, expected KBF6 to be KBF4" +mp-556934,KNaSiF6,-5.5464871944,-3.3990298527,0.0047664313,0.0047664313,GGA,Pnma,A6BCD_oP36_62_2c2d_c_c_c:F-K-Na-Si,36.0,"Invalid WP multiplicities - A6BCD_oP36_62_6c15d_c_c_c:F-K-Na-Si, expected KNaSiF36 to be KNaSiF6" +mp-1520368,KCeSnWO6,-7.7918823585,-2.4227501131,0.1852759114,0.1852759114,GGA+U,P4_2/mmc,ABC6DE_tP20_131_c_e_iq_f_d:Ce-K-O-Sn-W,20.0,"Invalid WP multiplicities - ABC6DE_tP20_131_c_e_2iq_f_d:Ce-K-O-Sn-W, expected KCeSnWO8 to be KCeSnWO6" +mp-1520219,KCeSnWO6,-7.790147738,-2.4210154926,0.1870105319,0.1870105319,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ce-K-O-Sn-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ce-K-O-Sn-W +mp-1210391,NiAg4P6(HO3)6,-6.1322514091,-1.589767729,0.2819769379,0.2819769379,GGA+U,P-1,A4B6CD18E6_aP35_2_2i_3i_a_9i_3i:Ag-H-Ni-O-P,35.0,A4B6CD18E6_aP35_2_2i_3i_a_9i_3i:Ag-H-Ni-O-P +mp-1210398,NiAg(PO3)3,-7.1798412365,-2.2246413362,0.0069634049,0.0069634049,GGA+U,Pcca,ABC9D3_oP112_54_f_ae_cd8f_3f:Ag-Ni-O-P,112.0,ABC9D3_oP112_54_f_ae_cd8f_3f:Ag-Ni-O-P +mp-24731,Ni3AgP3(HO6)2,-6.8572785169,-1.973536127,0.0,-0.0046114786,GGA+U,C2/c,AB2C3D12E3_mC84_15_e_f_ef_6f_ef:Ag-H-Ni-O-P,42.0,"Invalid WP multiplicities - AB2C3D12E3_mC84_15_e_f_2e3f_11f_ef:Ag-H-Ni-O-P, expected Ni8AgP3(HO11)2 to be Ni3AgP3(HO6)2" +mp-1203837,NiAg4(PO4)6,-6.3159990797,-1.5071217996,0.2337383685,0.2337383685,GGA+U,P-1,A4BC24D6_aP35_2_2i_a_12i_3i:Ag-Ni-O-P,35.0,A4BC24D6_aP35_2_2i_a_12i_3i:Ag-Ni-O-P +mp-1200841,Ni3Ag2P3HO12,-6.7220332267,-1.8649656006,0.0450074473,0.0450074473,GGA+U,Ima2,A2BC3D12E3_oI84_46_ab_b_ac_2b5c_bc:Ag-H-Ni-O-P,,A2BC3D12E3_oI84_46_ab_b_ac_2b5c_bc:Ag-H-Ni-O-P +mp-532810,KAlCo(PO4)2,-7.5149831006,-2.7177210025000003,0.0,-0.0078115867,GGA+U,Cc,ABCD8E2_mC104_9_2a_2a_2a_16a_4a:Al-Co-K-O-P,52.0,ABCD8E2_mC104_9_4a_4a_4a_32a_8a:Al-Co-K-O-P +mp-1215069,Al3Co(PO4)4,-7.767596473,-2.8032100275,0.0619939941,0.0619939941,GGA+U,C2/c,A3BC16D4_mC192_15_3f_f_16f_4f:Al-Co-O-P,96.0,A3BC16D4_mC192_15_3f_f_16f_4f:Al-Co-O-P +mp-1212376,K2Cu(SO7)2,-5.3508215734,-0.9378454547,0.39923952,0.39923952,GGA,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Cu-K-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Cu-K-O-S +mp-556787,K2Cu3S3O13,-6.0947796549,-1.7502691429,0.0,-0.028636363,GGA,C2/c,A3B2C13D3_mC168_15_3f_2f_2e12f_3f:Cu-K-O-S,84.0,"Invalid WP multiplicities - A3B2C13D3_mC168_15_11f_7f_4e46f_10f:Cu-K-O-S, expected K7Cu11(S5O24)2 to be K2Cu3S3O13" +mp-1203158,K2Cu(SO5)2,-5.8140646655,-1.5434119048,0.1502290632,0.1502290632,GGA,P2_1/c,AB2C10D2_mP60_14_e_2e_10e_2e:Cu-K-O-S,60.0,AB2C10D2_mP60_14_e_2e_10e_2e:Cu-K-O-S +mp-1103698,KCu2(SO5)2,-5.9698724327,-1.4999658238,0.0272452584,0.0272452584,GGA,C2/m,A2BC10D2_mC30_12_f_a_3ij_i:Cu-K-O-S,15.0,A2BC10D2_mC30_12_e_a_3ij_i:Cu-K-O-S +mp-1195601,K5Na3Cu8(S2O9)4,-6.0295728238,-1.8048125486,0.0038918552,0.0038918552,GGA,P2/c,A8B5C3D36E8_mP120_13_4g_e2g_fg_18g_4g:Cu-K-Na-O-S,120.0,A8B5C3D36E8_mP120_13_4g_e2g_fg_18g_4g:Cu-K-Na-O-S +mp-1223561,K3NaS2,-3.2857089083,-1.1312719303,0.0991687621,0.0991687621,GGA,P-6m2,A3BC2_hP6_187_ai_d_bc:K-Na-S,6.0,A3BC2_hP6_187_ai_d_bc:K-Na-S +mp-22457,K3Na(SO4)2,-6.0122874057,-2.2622780087,0.0,-0.0004409908,GGA,P-3m1,A3BC8D2_hP14_164_ad_b_di_d:K-Na-O-S,14.0,"Invalid WP multiplicities - A3BC8D2_hP14_164_a2d_b_di_d:K-Na-O-S, expected K5Na(SO4)2 to be K3Na(SO4)2" +mp-555576,KNaS2O7,-6.2169375227,-2.0957879816,0.0,-0.0051251634,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:K-Na-O-S,22.0,"Invalid WP multiplicities - ABC7D2_aP22_2_i_i_14i_3i:K-Na-O-S, expected KNaS3O14 to be KNaS2O7" +mp-558632,KNaSO4,-5.9958156093,-2.2306543304,0.0147015826,0.0147015826,GGA,P3m1,ABC4D_hP14_156_ac_bc_ab2d_ab:K-Na-O-S,14.0,"Invalid WP multiplicities - ABC4D_hP14_156_ac_bc_ab6d_ab:K-Na-O-S, expected KNaSO10 to be KNaSO4" +mp-555552,KNaSO4,-5.9761506729,-2.210989394,0.034366519,0.034366519,GGA,P-3m1,ABC4D_hP14_164_d_ab_di_d:K-Na-O-S,14.0,"Invalid WP multiplicities - ABC4D_hP14_164_d_ab_2d2i_d:K-Na-O-S, expected KNaSO8 to be KNaSO4" +mp-28383,KNaS,-3.4279847242,-1.2381933551,0.0,-0.0111490142,GGA,Pnma,ABC_oP12_62_c_c_c:K-Na-S,12.0,ABC_oP12_62_c_c_c:K-Na-S +mp-554726,KNaCu3S3O13,-6.0945319511,-1.7399201845,0.0,-0.0193307735,GGA,C2/c,A3BCD13E3_mC168_15_3f_f_f_2e12f_3f:Cu-K-Na-O-S,84.0,"Invalid WP multiplicities - A3BCD13E3_mC168_15_8f_f_f_4e46f_10f:Cu-K-Na-O-S, expected KNaCu8(S5O24)2 to be KNaCu3S3O13" +mp-1223316,KTi3AlO8,-8.5667594962,-3.3270702256,0.0391099451,0.0391099451,GGA,P1,ABC8D3_aP13_1_a_a_8a_3a:Al-K-O-Ti,13.0,ABC8D3_aP13_1_a_a_8a_3a:Al-K-O-Ti +mp-677733,K2TiAl(PO4)3,-7.6969989121,-2.9884706071,0.0,-0.0021243256,GGA,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Al-K-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_cP76_198_a_5a_45b_b_a:Al-K-O-P-Ti, expected K5TiAl(PO45)3 to be K2TiAl(PO4)3" +mp-1255651,CrSiH12(OF)6,-5.6169140938,-1.8884493203,0.0085191746,0.0085191746,GGA+U,P-1,AB6C12D6E_aP26_2_b_3i_6i_3i_e:Cr-F-H-O-Si,52.0,"Invalid WP multiplicities - AB6C12D6E_aP26_2_b_5i_10i_5i_e:Cr-F-H-O-Si, expected CrSiH20(OF)10 to be CrSiH12(OF)6" +mp-39540,CrSiH12(OF)6,-5.5862044181,-1.8577396445,0.0392288504,0.0392288504,GGA+U,R-3,AB6C12D6E_hR78_148_a_f_2f_f_b:Cr-F-H-O-Si,26.0,"Invalid WP multiplicities - AB6C12D6E_hR78_148_a_f_7f_f_b:Cr-F-H-O-Si, expected CrSiH42(OF)6 to be CrSiH12(OF)6" +mp-1196749,CrSiH8(O2F3)2,-5.7552329628,-2.0814428372,0.0,-0.0080502614,GGA+U,P2_1/c,AB6C8D4E_mP40_14_a_3e_4e_2e_d:Cr-F-H-O-Si,40.0,AB6C8D4E_mP40_14_a_3e_4e_2e_b:Cr-F-H-O-Si +mp-725062,CrH18(O3F)3,-5.4160908258,-1.5136149683,0.0,-0.004496973,GGA+U,R3,AB3C18D9_hR93_146_a_b_6b_3b:Cr-F-H-O,124.0,AB3C18D9_hR93_146_a_b_6b_3b:Cr-F-H-O +mp-1202233,Fe2P3(O3F)3,-7.4453434592,-2.5374266802000003,0.0,-0.0199201971,GGA+U,P6_3/m,A3B2C9D3_hP102_176_3h_i_3h3i_3h:F-Fe-O-P,102.0,A3B2C9D3_hP102_176_3h_i_3h3i_3h:F-Fe-O-P +mp-939353,FePO4F,-3.9305035786,1.1525760685,3.4317859788,3.4317859788,GGA+U,P-1,ABC4D_aP14_2_i_be_4i_i:F-Fe-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_be_8i_i:F-Fe-O-P, expected FePO8F to be FePO4F" +mp-25382,FePO4F,-7.2711134493,-2.1880338023,0.0911761081,0.0911761081,GGA+U,P-1,ABC4D_aP14_2_i_be_4i_i:F-Fe-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_be_8i_i:F-Fe-O-P, expected FePO8F to be FePO4F" +mp-772533,FePO4F,-6.9835539327,-1.9004742857,0.3787356247,0.3787356247,GGA+U,Pnna,ABC4D_oP56_52_e_ad_4e_cd:F-Fe-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_52_e_2a3d_13e_3c2d:F-Fe-O-P, expected Fe5P5(O13F)2 to be FePO4F" +mp-18121,Fe2PO4F,-7.8733182172,-2.3668708748,0.0,-0.0145105347,GGA+U,C2/c,AB2C4D_mC64_15_f_2f_4f_f:F-Fe-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mC64_15_f_2f_7f_f:F-Fe-O-P, expected Fe2PO7F to be Fe2PO4F" +mp-572292,FeCoPO4F,-7.6053954959,-2.2691610804,0.015393569,0.015393569,GGA+U,Cc,ABCD4E_mC64_9_2a_2a_2a_8a_2a:Co-F-Fe-O-P,32.0,"Invalid WP multiplicities - ABCD4E_mC64_9_3a_4a_4a_16a_2a:Co-F-Fe-O-P, expected Fe4Co3P2(O4F)4 to be FeCoPO4F" +mp-1203341,VS4N3,-4.6118916866,1.7180071025,2.3128951863,2.3128951863,GGA,Pnma,A3B4C_oP32_62_cd_2cd_c:N-S-V,32.0,A3B4C_oP32_62_cd_2cd_c:N-S-V +mp-558979,VS2N3Cl2,-6.2967903431,-0.5388698558,0.2705022466,0.2705022466,GGA,P-1,A2B3C2D_aP16_2_2i_3i_2i_i:Cl-N-S-V,16.0,"Invalid WP multiplicities - A2B3C2D_aP16_2_4i_5i_4i_i:Cl-N-S-V, expected VS4N5Cl4 to be VS2N3Cl2" +mp-559033,VS2N3Cl2,-6.2925184462,-0.5345979589000001,0.2747741434,0.2747741434,GGA,P-1,A2B3C2D_aP16_2_2i_3i_2i_i:Cl-N-S-V,16.0,"Invalid WP multiplicities - A2B3C2D_aP16_2_4i_5i_4i_i:Cl-N-S-V, expected VS4N5Cl4 to be VS2N3Cl2" +mp-1246351,V2SN2,-8.748056558,-0.9526061866,0.2247637836,0.2247637836,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-S-V,5.0,A2BC2_hP5_164_d_a_d:N-S-V +mp-1029368,Mg2VN3,-7.3438059608,-1.12814747,0.0,-0.1663757803,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Mg-N-V,12.0,A2B3C_oC24_36_b_ab_a:Mg-N-V +mp-1383267,Mg2VN2,-6.615138555,-0.8236473510000001,0.1703885344,0.1703885344,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Mg-N-V,10.0,A2B2C_mC20_12_2i_2i_i:Mg-N-V +mp-1246378,Mg4VN4,-6.40056251,-0.97489518,0.0477790051,0.0477790051,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mg-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Mg-N-V +mp-1246234,Mg3(VN2)2,-7.0681394611,-0.8109581289000001,0.2830072504,0.2830072504,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Mg-N-V,18.0,A3B4C2_mC36_15_ef_2f_f:Mg-N-V +mp-2228916,MgV2S4(N3Cl2)2,-6.1225762659,-0.6092228631000001,0.390371372,0.390371372,GGA,P1,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V,17.0,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V +mp-2229527,MgV2S4(N3Cl2)2,-6.1204450771,-0.6070916743,0.3925025608,0.3925025608,GGA,P1,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V,17.0,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V +mp-2229416,MgV2S4(N3Cl2)2,-6.1460473965,-0.6326939937,0.3669002414,0.3669002414,GGA,P1,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V,17.0,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V +mp-2229444,MgV2S4(N3Cl2)2,-6.1955895306,-0.6822361278,0.3173581073,0.3173581073,GGA,P1,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V,17.0,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Cl-Mg-N-S-V +mp-2229780,MgV2S4(N3Cl2)2,-6.1117159618,-0.598362559,0.4012316761,0.4012316761,GGA,P-1,A4BC6D4E2_aP17_2_2i_a_3i_2i_i:Cl-Mg-N-S-V,17.0,"Invalid WP multiplicities - A4BC6D4E2_aP17_2_4i_a_5i_4i_i:Cl-Mg-N-S-V, expected MgV2S8(N5Cl4)2 to be MgV2S4(N3Cl2)2" +mp-1246304,MgVN2,-7.9065232169,-1.0672292244,0.1143866412,0.1143866412,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mg-N-V,16.0,AB2C_oP16_33_a_2a_a:Mg-N-V +mp-1433304,Mg(VN)2,-7.772106292,-0.483889884,0.608661046,0.608661046,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Mg-N-V,5.0,AB2C2_tP5_115_a_g_f:Mg-N-V +mp-1190395,FePH12(CBr)4,-4.9040605136,-0.4621145342,0.0,-0.061002521,GGA,F-43m,A4B4CD12E_cF88_216_e_e_a_h_b:Br-C-Fe-H-P,22.0,A4B4CD12E_cF88_216_e_e_a_h_b:Br-C-Fe-H-P +mp-779221,P2H9(CBr)3,-4.7063052201,-0.370645168,0.0,-0.0020752745,GGA,P2_1/c,A3B3C9D2_mP68_14_3e_3e_9e_2e:Br-C-H-P,68.0,"Invalid WP multiplicities - A3B3C9D2_mP68_14_11e_9e_33e_5e:Br-C-H-P, expected P5H33C9Br11 to be P2H9(CBr)3" +mp-27689,PH4Br,-3.8079414617,-0.3850689589,0.0,-0.1959619827,GGA,P4/nmm,AB4C_tP12_129_c_i_a:Br-H-P,12.0,AB4C_tP12_129_c_i_a:Br-H-P +mp-559900,CS3(Br2N)2,-4.6058115017,-0.1534996754,0.1135243574,0.1135243574,GGA,Pna2_1,A4BC2D3_oP40_33_4a_a_2a_3a:Br-C-N-S,40.0,"Invalid WP multiplicities - A4BC2D3_oP40_33_13a_a_4a_8a:Br-C-N-S, expected CS8Br13N4 to be CS3(Br2N)2" +mp-1179209,TeC2S2(BrN2)2,-5.5536972591,0.4759002838,0.7668091203,0.7668091203,GGA,P1,A2B2C4D2E_aP22_1_4a_4a_8a_4a_2a:Br-C-N-S-Te,22.0,A2B2C4D2E_aP22_1_4a_4a_8a_4a_2a:Br-C-N-S-Te +mp-1190896,TeC2S2(BrN2)2,-5.2684248486,0.7611726943,1.0520815308,1.0520815308,GGA,C2/c,A2B2C4D2E_mC44_15_f_f_2f_f_e:Br-C-N-S-Te,22.0,A2B2C4D2E_mC44_15_f_f_2f_f_e:Br-C-N-S-Te +mp-1214179,C4SBr4,-5.3285236217,-0.0770541598,0.1288976811,0.1288976811,GGA,Pc,A4B4C_mP18_7_4a_4a_a:Br-C-S,18.0,A4B4C_mP18_7_4a_4a_a:Br-C-S +mp-1214257,C4SBr4,-5.3246125392,-0.0731430773,0.1328087636,0.1328087636,GGA,Pca2_1,A4B4C_oP36_29_4a_4a_a:Br-C-S,36.0,A4B4C_oP36_29_4a_4a_a:Br-C-S +mp-541914,MnHgC4(SN)4,-6.9941047714,-0.1175235718,0.1583559955,0.1583559955,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Hg-Mn-N-S,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Hg-Mn-N-S +mp-1193220,HgC6(S2N)2,-5.8453499173,0.9926856702,1.1515486248,1.1515486248,GGA,C2/c,A6BC2D4_mC52_15_3f_a_f_2f:C-Hg-N-S,26.0,A6BC2D4_mC52_15_3f_c_f_2f:C-Hg-N-S +mp-645044,MnHg2C6(SN)6,-6.6534892826,0.0121791807,0.2529442441,0.2529442441,GGA,P2_1/c,A6B2CD6E6_mP168_14_12e_4e_2e_12e_12e:C-Hg-Mn-N-S,168.0,"Invalid WP multiplicities - A6B2CD6E6_mP168_14_44e_14e_2e_47e_46e:C-Hg-Mn-N-S, expected Mn2Hg14C44S46N47 to be MnHg2C6(SN)6" +mp-610992,HgC2(SN)2,-6.1772509771,0.0665920134,0.237128069,0.237128069,GGA,C2,A2BC2D2_mC14_5_c_a_c_c:C-Hg-N-S,7.0,A2BC2D2_mC14_12_i_a_i_i:C-Hg-N-S +mp-655275,HgC2(SN)2,-6.1791424486,0.064700542,0.2352365975,0.2352365975,GGA,C2/m,A2BC2D2_mC14_12_i_a_i_i:C-Hg-N-S,7.0,A2BC2D2_mC14_12_i_a_i_i:C-Hg-N-S +mp-24091,GaH4NF4,-5.061822327,-1.8036812272,0.0082185075,0.0082185075,GGA,I4/mcm,A4BC4D_tI40_140_fh_c_l_b:F-Ga-H-N,20.0,"Invalid WP multiplicities - A4BC4D_tI40_140_2f2h_c_l_b:F-Ga-H-N, expected GaH4NF8 to be GaH4NF4" +mp-759288,GaH5(NF)2,-5.1482563985,-1.0994889952,0.1072696858,0.1072696858,GGA,C2/m,A2BC5D2_mC40_12_j_ad_3ij_2i:F-Ga-H-N,20.0,"Invalid WP multiplicities - A2BC5D2_mC40_12_j_ac_5i2j_3i:F-Ga-H-N, expected GaH9N3F2 to be GaH5(NF)2" +mp-643759,GaH3NF3,-5.1811909488,-1.7715402006,0.0,-0.0171798331,GGA,Aem2,A3BC3D_oC32_39_abc_c_cd_c:F-Ga-H-N,16.0,A3BC3D_oC32_39_abc_c_cd_c:F-Ga-H-N +mp-1201190,GaH9(NF)3,-5.1776164187,-1.1584569122,0.0,-0.0062919622,GGA,P2_1/c,A3BC9D3_mP64_14_3e_ad_9e_3e:F-Ga-H-N,64.0,A3BC9D3_mP64_14_3e_ad_9e_3e:F-Ga-H-N +mp-760697,GaH7(NF2)2,-5.1004864429,-1.450766153,0.0187724639,0.0187724639,GGA,C2/m,A4BC7D2_mC56_12_gij_ac_3i2j_2i:F-Ga-H-N,28.0,"Invalid WP multiplicities - A4BC7D2_mC56_12_g2ij_ad_5i4j_3i:F-Ga-H-N, expected GaH13N3F5 to be GaH7(NF2)2" +mp-865095,NaGaH8(NF3)2,-5.0137243906,-1.7007080944,0.0078168406,0.0078168406,GGA,Fm-3m,A6BC8D2E_cF72_225_e_a_f_c_b:F-Ga-H-N-Na,18.0,A6BC8D2E_cF72_225_e_a_f_c_b:F-Ga-H-N-Na +mp-706544,NaGa(H2N)4,-5.0877282696,-0.4564133142,0.0059941091,0.0059941091,GGA,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:Ga-H-N-Na,56.0,"Invalid WP multiplicities - AB8C4D_mP56_14_e_15e_7e_e:Ga-H-N-Na, expected NaGaH15N7 to be NaGa(H2N)4" +mp-740765,NaGa(H2N)4,-4.7116117738,-0.0802968183,0.382110605,0.382110605,GGA,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:Ga-H-N-Na,56.0,AB8C4D_mP56_14_e_8e_4e_e:Ga-H-N-Na +mp-1224894,GaH6N2F3,-5.1786555508,-1.3626656304,0.0001523779,0.0001523779,GGA,C2/m,A3BC6D2_mC24_12_ai_b_ij_i:F-Ga-H-N,12.0,A3BC6D2_mC24_12_ai_b_ij_i:F-Ga-H-N +mp-542884,Rb2BeH4(SO5)2,-6.0424332446,-1.9892136637,0.0,-0.013508238,GGA,P2_1/c,AB4C10D2E2_mP76_14_e_4e_10e_2e_2e:Be-H-O-Rb-S,76.0,AB4C10D2E2_mP76_14_e_4e_10e_2e_2e:Be-H-O-Rb-S +mp-23996,BeH8SO8,-5.7834050586,-1.6394505707,0.0,-0.0169108469,GGA,I-4c2,AB8C8D_tI72_120_b_2i_2i_c:Be-H-O-S,36.0,"Invalid WP multiplicities - AB8C8D_tI72_120_b_4i_6i_c:Be-H-O-S, expected BeH16SO24 to be BeH8SO8" +mp-1183513,BeH8SO8,-5.7789996592,-1.6350451713,0.0044053994,-0.0125054475,GGA,I-4c2,AB8C8D_tI72_120_b_2i_2i_c:Be-H-O-S,36.0,AB8C8D_tI72_120_b_2i_2i_c:Be-H-O-S +mp-1214362,BeH4SO4,-4.3060414245,-0.1826892488,1.4711908243,1.4711908243,GGA,I4/mcm,AB4C4D_tI40_140_d_l_k_c:Be-H-O-S,20.0,AB4C4D_tI40_140_d_l_k_c:Be-H-O-S +mp-975031,RbBeH3,-3.1727127655,-0.193087751,0.0014871952,0.0014871952,GGA,P2_1/c,AB3C_mP20_14_e_3e_e:Be-H-Rb,20.0,"Invalid WP multiplicities - AB3C_mP20_14_e_9e_e:Be-H-Rb, expected RbBeH9 to be RbBeH3" +mp-1224461,H2CBrCl,-4.3657877695,-0.482651255,0.067839381,0.067839381,GGA,C2/c,ABCD2_mC40_15_f_f_f_2f:Br-C-Cl-H,20.0,ABCD2_mC40_15_f_f_f_2f:Br-C-Cl-H +mp-1224462,H2CBrCl,-4.3654524005,-0.482315886,0.06817475,0.06817475,GGA,C2/c,ABCD2_mC40_15_f_f_f_2f:Br-C-Cl-H,20.0,ABCD2_mC40_15_f_f_f_2f:Br-C-Cl-H +mp-1224447,H2CBrCl,-4.3633103465,-0.480173832,0.070316804,0.070316804,GGA,P2_12_12,ABCD2_oP20_18_c_ab_c_2c:Br-C-Cl-H,20.0,ABCD2_oP20_18_c_ab_c_2c:Br-C-Cl-H +mp-1214340,C15BrCl6,-6.8641522969,0.0028581884,0.2379308927,0.2379308927,GGA,P-1,AB15C6_aP88_2_2i_30i_12i:Br-C-Cl,88.0,AB15C6_aP88_2_2i_30i_12i:Br-C-Cl +mp-1194166,H3CBrClF,-4.0498192214,-0.5184067093,0.3678468561,0.3678468561,GGA,Pnma,ABCDE3_oP28_62_c_c_c_c_cd:Br-C-Cl-F-H,28.0,ABCDE3_oP28_62_c_c_c_c_cd:Br-C-Cl-F-H +mp-1522724,KNdSnWO6,-7.65617628,-2.4035382068,0.1806441118,0.1806441118,GGA+U,P4_2/mmc,ABC6DE_tP20_131_e_c_iq_f_d:K-Nd-O-Sn-W,20.0,"Invalid WP multiplicities - ABC6DE_tP20_131_e_c_2i2q_f_d:K-Nd-O-Sn-W, expected KNdSnWO12 to be KNdSnWO6" +mp-1522519,KNdSnWO6,-7.647511882,-2.3948738088,0.1893085098,0.1893085098,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Nd-O-Sn-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Nd-O-Sn-W +mp-559456,KNd(WO4)2,-8.6047938692,-2.6574341584,0.0,-0.0233363359,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:K-Nd-O-W,24.0,"Invalid WP multiplicities - ABC8D2_mC48_12_i_g_4i10j_2hi:K-Nd-O-W, expected KNd(WO8)3 to be KNd(WO4)2" +mp-1225247,LaB12H33Cl2O11,-5.1285225273,-0.8037883411000001,0.2757043394,0.2757043394,GGA,P3c1,A12B2C33DE11_hP118_158_4d_2a_11d_b_ac3d:B-Cl-H-La-O,118.0,"Invalid WP multiplicities - A12B2C33DE11_hP118_158_8d_4a_21d_b_ac5d:B-Cl-H-La-O, expected LaB24H63Cl4O17 to be LaB12H33Cl2O11" +mp-559417,LaB2ClO4,-8.1352293787,-3.1439691098,0.0,-0.0018085878,GGA,P-1,A2BCD4_aP16_2_2i_i_i_4i:B-Cl-La-O,16.0,"Invalid WP multiplicities - A2BCD4_aP16_2_4i_i_i_7i:B-Cl-La-O, expected LaB4ClO7 to be LaB2ClO4" +mp-1194424,LaB4ClO8,-7.9334473064,-2.7137601251,0.1235750952,0.1235750952,GGA,Cc,A4BCD8_mC56_9_4a_a_a_8a:B-Cl-La-O,28.0,A4BCD8_mC56_9_4a_a_a_8a:B-Cl-La-O +mp-554650,LaH6(ClO3)3,-5.1761978587,-1.2099782926,0.1268652928,0.1268652928,GGA,P-62c,A3B6CD9_hP38_190_g_i_c_hi:Cl-H-La-O,38.0,"Invalid WP multiplicities - A3B6CD9_hP38_190_g_i_c_5h4i:Cl-H-La-O, expected LaH6(ClO13)3 to be LaH6(ClO3)3" +mp-1211684,LaB5HO10,-8.1486815225,-2.7844121627,0.0512462865,0.0512462865,GGA,P2_1/c,A5BCD10_mP68_14_5e_e_e_10e:B-H-La-O,68.0,A5BCD10_mP68_14_5e_e_e_10e:B-H-La-O +mp-2646967,La(BH4)3,-4.541051002,-0.4356200671,0.0,-0.1373165702,GGA,Pa-3,A3B12C_cP128_205_d_4d_c:B-H-La,128.0,"Invalid WP multiplicities - A3B12C_cP128_205_d_73d_c:B-H-La, expected La(BH73)3 to be La(BH4)3" +mp-696795,Cu2H3NO6,-5.5197334367,-0.8202985477,0.1991854938,0.1991854938,GGA,P2_1,A2B3CD6_mP24_4_2a_3a_a_6a:Cu-H-N-O,24.0,A2B3CD6_mP24_4_2a_3a_a_6a:Cu-H-N-O +mp-1181938,Cu2H3NO6,-5.5561944617,-0.8567595727,0.1627244688,0.1627244688,GGA,P2_1,A2B3CD6_mP24_4_2a_3a_a_6a:Cu-H-N-O,24.0,A2B3CD6_mP24_4_2a_3a_a_6a:Cu-H-N-O +mp-766274,Cu2H3NO6,-5.6943625027,-0.9949276138,0.0245564278,0.0245564278,GGA,P2_12_12_1,A2B3CD6_oP48_19_2a_3a_a_6a:Cu-H-N-O,48.0,"Invalid WP multiplicities - A2B3CD6_oP48_19_5a_9a_a_21a:Cu-H-N-O, expected Cu5H9NO21 to be Cu2H3NO6" +mp-1200663,CuH6N4O5,-5.6150682433,-0.456631606,0.4497236929,0.4497236929,GGA,C2/c,AB6C4D5_mC128_15_f_6f_4f_5f:Cu-H-N-O,64.0,AB6C4D5_mC128_15_f_6f_4f_5f:Cu-H-N-O +mp-746774,Mn2CuH12(NO2)4,-5.540450293,-0.5013599528,0.6466546006,0.6466546006,GGA+U,P2_1/m,AB12C2D4E8_mP54_11_e_6f_2e_2f_4e2f:Cu-H-Mn-N-O,54.0,AB12C2D4E8_mP54_11_e_6f_2e_2f_4e2f:Cu-H-Mn-N-O +mp-1182304,Mn2CuH12(NO2)4,-5.7655853156,-0.7264949754000001,0.421519578,0.421519578,GGA+U,P2_1/m,AB12C2D4E8_mP54_11_e_6f_2e_2f_4e2f:Cu-H-Mn-N-O,54.0,AB12C2D4E8_mP54_11_e_6f_2e_2f_4e2f:Cu-H-Mn-N-O +mp-707484,CuH2N2O7,-5.8412625971,-0.6592234647,0.2651900343,0.2651900343,GGA,P2_1/c,AB2C2D7_mP48_14_e_2e_2e_7e:Cu-H-N-O,48.0,AB2C2D7_mP48_14_e_2e_2e_7e:Cu-H-N-O +mp-1200215,CuH12(NO6)2,-5.58001394,-1.1042667698,0.019641254,0.019641254,GGA,P-1,AB12C2D12_aP54_2_i_12i_2i_12i:Cu-H-N-O,54.0,AB12C2D12_aP54_2_i_12i_2i_12i:Cu-H-N-O +mp-556842,CuH12(N5O4)2,-5.8383834958000005,-0.4270809748,0.4129245402,0.4129245402,GGA,P-1,AB12C10D8_aP31_2_a_6i_5i_4i:Cu-H-N-O,31.0,"Invalid WP multiplicities - AB12C10D8_aP31_2_a_12i_8i_7i:Cu-H-N-O, expected CuH24(N8O7)2 to be CuH12(N5O4)2" +mp-643052,CuH6(NO)4,-5.718264982,-0.5457118163,0.3493114078,0.3493114078,GGA,P-1,AB6C4D4_aP15_2_a_3i_2i_2i:Cu-H-N-O,15.0,AB6C4D4_aP15_2_a_3i_2i_2i:Cu-H-N-O +mp-721035,CuH12(NO)6,-5.025207963,-0.044767122,0.8783117728000001,0.8783117728000001,GGA,Pnnm,AB12C6D6_oP200_58_2g_12h_4g4h_12g:Cu-H-N-O,200.0,AB12C6D6_oP200_58_2g_12h_4g4h_12g:Cu-H-N-O +mp-1226171,Cu2H3NO5,-5.6121985109,-0.9352412422,0.0790744014,0.0790744014,GGA,P2_1,A2B3CD5_mP22_4_2a_3a_a_5a:Cu-H-N-O,22.0,"Invalid WP multiplicities - A2B3CD5_mP22_4_2a_5a_a_7a:Cu-H-N-O, expected Cu2H5NO7 to be Cu2H3NO5" +mp-1204140,MnH4(NO4)2,-6.4452336535,-1.1799390527,0.007443435,0.007443435,GGA+U,P2_12_12_1,A4BC2D8_oP120_19_8a_2a_4a_16a:H-Mn-N-O,120.0,A4BC2D8_oP120_19_8a_2a_4a_16a:H-Mn-N-O +mp-707464,CuH3(NO2)3,-6.0271123917,-0.7219584035000001,0.1564768797,0.1564768797,GGA,P2_1/c,AB3C3D6_mP52_14_e_3e_3e_6e:Cu-H-N-O,52.0,AB3C3D6_mP52_14_e_3e_3e_6e:Cu-H-N-O +mp-727472,MnH8(NO5)2,-6.0895728164,-1.2113013586,0.0031301385,0.0031301385,GGA+U,P2_1/c,A8BC2D10_mP84_14_8e_e_2e_10e:H-Mn-N-O,84.0,A8BC2D10_mP84_14_8e_e_2e_10e:H-Mn-N-O +mp-1203834,Cu2H10N4O17,-5.8585836497,-1.0232696624,0.0,-0.001768089,GGA,C2/c,A2B10C4D17_mC132_15_f_5f_2f_e8f:Cu-H-N-O,66.0,A2B10C4D17_mC132_15_f_5f_2f_e8f:Cu-H-N-O +mp-1202706,MnH12N8O15,-6.1493845413,-0.8503007107,0.1610253668,0.1610253668,GGA+U,Pca2_1,A12BC8D15_oP144_29_12a_a_8a_15a:H-Mn-N-O,144.0,A12BC8D15_oP144_29_12a_a_8a_15a:H-Mn-N-O +mp-769153,Li2SbSO4F3,-5.7927527902,-2.3741629186,0.0745052973,0.0745052973,GGA,P2_12_12_1,A3B2C4DE_oP44_19_3a_2a_4a_a_a:F-Li-O-S-Sb,44.0,"Invalid WP multiplicities - A3B2C4DE_oP44_19_9a_5a_13a_a_a:F-Li-O-S-Sb, expected Li5SbSO13F9 to be Li2SbSO4F3" +mp-697114,MgH12SO9,-5.1645873665,-1.2093855901,0.3107510645,0.3107510645,GGA,P1,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-S,23.0,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-S +mp-1180930,MgH12SO9,-5.16872848,-1.2135267036,0.3066099511,0.3066099511,GGA,P1,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-S,23.0,A12BC9D_aP23_1_12a_a_9a_a:H-Mg-O-S +mp-23887,MgH12SO9,-5.4576412487,-1.5024394723,0.0176971824,0.0176971824,GGA,R3,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-S,23.0,A12BC9D_hR69_146_4b_a_3b_a:H-Mg-O-S +mp-504802,MgH12S2O9,-5.3925432229,-1.4297894427,0.0270675979,0.0270675979,GGA,Pnma,A12BC9D2_oP96_62_6d_a_c4d_2c:H-Mg-O-S,96.0,A12BC9D2_oP96_62_6d_a_c4d_2c:H-Mg-O-S +mp-721342,MgH12(SO6)2,-4.91901537,-0.8469354863,0.7334049121,0.7334049121,GGA,P-1,A12BC12D2_aP27_2_6i_a_6i_i:H-Mg-O-S,27.0,A12BC12D2_aP27_2_6i_a_6i_i:H-Mg-O-S +mp-1198750,MgH22SO15,-5.4145723409,-1.4510586595,0.0102945296,0.0102945296,GGA,P-1,A22BC15D_aP78_2_22i_ab_15i_i:H-Mg-O-S,78.0,A22BC15D_aP78_2_22i_ab_15i_i:H-Mg-O-S +mp-690765,MgH2(SO4)2,-5.6623836615,-1.3368343105,0.6222988079,0.6222988079,GGA,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:H-Mg-O-S,26.0,A2BC8D2_mP26_14_e_a_4e_e:H-Mg-O-S +mp-1222212,Mg3H2(SO5)2,-6.3894341788,-2.3114295267,0.0120393235,-0.0121053841,GGA,C2/m,A2B3C10D2_mC34_12_i_af_3ij_i:H-Mg-O-S,17.0,"Invalid WP multiplicities - A2B3C10D2_mC34_12_i_ae_5i2j_i:H-Mg-O-S, expected Mg3H2(SO9)2 to be Mg3H2(SO5)2" +mp-1210916,Mg3H2(SO5)2,-6.4014735024,-2.3234688502,0.0,-0.0241447076,GGA,P4_12_12,A2B3C10D2_tP68_92_b_ab_5b_b:H-Mg-O-S,68.0,A2B3C10D2_tP68_92_b_ab_5b_b:H-Mg-O-S +mp-24396,MgH14SO11,-5.5171033907,-1.5301230066,0.0109187019,0.0109187019,GGA,P2_12_12_1,A14BC11D_oP108_19_14a_a_11a_a:H-Mg-O-S,108.0,"Invalid WP multiplicities - A14BC11D_oP108_19_17a_a_11a_a:H-Mg-O-S, expected MgH17SO11 to be MgH14SO11" +mp-24399,MgH10SO9,-5.5910256924,-1.5822547987000002,0.0327833921,0.0327833921,GGA,P-1,A10BC9D_aP42_2_10i_ab_9i_i:H-Mg-O-S,42.0,A10BC9D_aP42_2_10i_ab_9i_i:H-Mg-O-S +mp-1200606,MgH10SO9,-5.606410941,-1.5976400472,0.0173981436,0.0173981436,GGA,P-1,A10BC9D_aP42_2_10i_bc_9i_i:H-Mg-O-S,42.0,A10BC9D_aP42_2_10i_bc_9i_i:H-Mg-O-S +mp-24460,MgH6(SO4)4,-6.1091061191,-1.7517188906,0.0,-0.0099216395,GGA,P2_1/c,A6BC16D4_mP54_14_3e_a_8e_2e:H-Mg-O-S,54.0,"Invalid WP multiplicities - A6BC16D4_mP54_14_3e_a_11e_3e:H-Mg-O-S, expected MgH6(S3O11)2 to be MgH6(SO4)4" +mp-24397,MgH8SO8,-5.6776727618,-1.6525589859,0.0179765667,0.0179765667,GGA,P2_1/c,A8BC8D_mP72_14_8e_e_8e_e:H-Mg-O-S,72.0,"Invalid WP multiplicities - A8BC8D_mP72_14_9e_e_11e_e:H-Mg-O-S, expected MgH9SO11 to be MgH8SO8" +mp-542417,Cs2MgH12(SO7)2,-5.657665126,-1.7341058026,0.0,-0.0051282427,GGA,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mg-O-S,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mg-O-S +mp-696407,MgH12SO10,-5.1518588629,-1.1553451309,0.4180700386,0.4180700386,GGA,C2/c,A12BC10D_mC192_15_12f_ae_10f_f:H-Mg-O-S,96.0,A12BC10D_mC192_15_12f_ae_10f_f:H-Mg-O-S +mp-1201310,MgH12SO10,-5.5577543936,-1.5612406616,0.0121745079,0.0121745079,GGA,C2/c,A12BC10D_mC192_15_12f_ae_10f_f:H-Mg-O-S,96.0,A12BC10D_mC192_15_12f_ae_10f_f:H-Mg-O-S +mp-24041,MgH2SO5,-6.1985310361,-2.0590170847,0.0,-0.0261906264,GGA,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Mg-O-S,18.0,A2BC5D_mC36_15_f_a_e2f_e:H-Mg-O-S +mp-24464,MgH4S2O9,-5.8843713417,-1.6366036939000002,0.2025049135,0.2025049135,GGA,P2_1/c,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mg-O-S,64.0,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mg-O-S +mp-1198197,MgH4S2O9,-6.084187515,-1.8364198672,0.0026887402,0.0026887402,GGA,P2_1/c,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mg-O-S,64.0,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mg-O-S +mp-1212262,MgH6S2O3,-4.5998130612,-0.8440128790000001,0.4088119135,0.4088119135,GGA,Pnma,A6BC3D2_oP48_62_3d_a_cd_2c:H-Mg-O-S,48.0,A6BC3D2_oP48_62_3d_a_cd_2c:H-Mg-O-S +mp-1195137,KLa5V2O13,-8.5452403588,-3.3897546513,0.0,-0.024842079,GGA+U,C2/m,AB5C13D2_mC84_12_g_5i_h4i4j_2i:K-La-O-V,42.0,AB5C13D2_mC84_12_g_5i_h4i4j_2i:K-La-O-V +mp-1522036,KLaV4O12,-8.1947713978,-2.5424216829,0.1090104839,0.1090104839,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:K-La-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:K-La-O-V, expected KLaV4O18 to be KLaV4O12" +mp-1213137,CsK2LaV2O8,-7.4207183907,-2.7211805906,0.0,-0.056346092,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_2e_e_4e2f_2e:Cs-K-La-O-V,28.0,AB2CD8E2_mP28_11_e_2e_e_4e2f_2e:Cs-K-La-O-V +mp-562663,RbCo(CO)4,-7.4592214732,-0.980194605,0.3420746295,0.3420746295,GGA+U,C2/c,A4BC4D_mC80_15_4f_f_4f_f:C-Co-O-Rb,40.0,A4BC4D_mC80_15_4f_f_4f_f:C-Co-O-Rb +mp-24624,Rb2CoH8(CO5)2,-6.0896793026,-1.5620526766,0.0251958839,0.0251958839,GGA+U,P2_1/c,A2BC8D10E2_mP46_14_e_a_4e_5e_e:C-Co-H-O-Rb,46.0,"Invalid WP multiplicities - A2BC8D10E2_mP46_14_e_a_7e_8e_e:C-Co-H-O-Rb, expected Rb2CoH14(CO8)2 to be Rb2CoH8(CO5)2" +mp-1222299,LiMgBN2,-6.457976942,-1.0856600345,0.0,-0.0124896701,GGA,I-4m2,ABCD2_tI10_119_c_a_b_f:B-Li-Mg-N,5.0,ABCD2_tI10_119_c_a_b_f:B-Li-Mg-N +mp-1201648,LiB(H3N)4,-4.8660313742,-0.2745309921,0.2335460124,0.2335460124,GGA,Pca2_1,AB12CD4_oP72_29_a_12a_a_4a:B-H-Li-N,72.0,AB12CD4_oP72_29_a_12a_a_4a:B-H-Li-N +mp-1200061,LiB6H21N5,-5.1055721929,-0.4111784031,0.1135203797,0.1135203797,GGA,P2_1/c,A6B21CD5_mP132_14_6e_21e_e_5e:B-H-Li-N,132.0,A6B21CD5_mP132_14_6e_21e_e_5e:B-H-Li-N +mp-1200895,MgB3H20N3,-4.5795596863,-0.338727796,0.0389683399,0.0389683399,GGA,P1,A3B20CD3_aP54_1_6a_40a_2a_6a:B-H-Mg-N,54.0,A3B20CD3_aP54_1_6a_40a_2a_6a:B-H-Mg-N +mp-1203555,LiBH7N,-4.4619778392,-0.3945886515,0.0446098808,0.0446098808,GGA,Pnma,AB7CD_oP40_62_c_3c2d_c_c:B-H-Li-N,40.0,AB7CD_oP40_62_c_3c2d_c_c:B-H-Li-N +mp-1204768,Li2B12H33N7,-5.118277237,-0.4092777751,0.1114062055,0.1114062055,GGA,P2_1/c,A12B33C2D7_mP216_14_12e_33e_2e_7e:B-H-Li-N,216.0,A12B33C2D7_mP216_14_12e_33e_2e_7e:B-H-Li-N +mp-1199747,Li2MgB4(H17N3)2,-4.5969453838,-0.394661385,0.0189653773,0.0189653773,GGA,P4_32_12,A4B34C2DE6_tP188_96_2b_17b_b_a_3b:B-H-Li-Mg-N,188.0,A4B34C2DE6_tP188_96_2b_17b_b_a_3b:B-H-Li-Mg-N +mp-1202697,LiBH6N,-4.4544117585,-0.3120599993,0.1670834644,0.1670834644,GGA,P2_12_12_1,AB6CD_oP72_19_2a_12a_2a_2a:B-H-Li-N,72.0,AB6CD_oP72_19_2a_12a_2a_2a:B-H-Li-N +mp-1200773,Li2B2H9N,-4.3963259796,-0.3929217936,0.1023536751,0.1023536751,GGA,Pbca,A2B9C2D_oP112_61_2c_9c_2c_c:B-H-Li-N,112.0,A2B9C2D_oP112_61_2c_9c_2c_c:B-H-Li-N +mp-1201205,Li4BH10N3,-4.5814846251,-0.5119385994,0.0585310174,0.0585310174,GGA,I2_13,AB10C4D3_cI144_199_a_a3c_a2b_c:B-H-Li-N,72.0,AB10C4D3_cI144_199_a_a3c_a2b_c:B-H-Li-N +mp-1194702,LiB(H3N)3,-4.934397947,-0.35351696,0.1789587754,0.1789587754,GGA,P2_1/c,AB9CD3_mP56_14_e_9e_e_3e:B-H-Li-N,56.0,AB9CD3_mP56_14_e_9e_e_3e:B-H-Li-N +mp-1193106,Li2Mg(HN)2,-4.8144938629,-0.6892699024000001,0.0,-0.0158452193,GGA,Pbcn,A2B2CD2_oP28_60_d_2c_c_d:H-Li-Mg-N,28.0,A2B2CD2_oP28_60_d_2c_c_d:H-Li-Mg-N +mp-1204484,Li2B3H14N,-4.3115625417,-0.3270285117,0.089235445,0.089235445,GGA,Pnma,A3B14C2D_oP80_62_cd_2c6d_d_c:B-H-Li-N,80.0,A3B14C2D_oP80_62_cd_2c6d_d_c:B-H-Li-N +mp-604486,LiB3H18N5,-5.0080958933,-0.3896276854,0.1147781298,0.1147781298,GGA,P2_1/c,A3B18CD5_mP108_14_3e_18e_e_5e:B-H-Li-N,108.0,"Invalid WP multiplicities - A3B18CD5_mP108_14_9e_70e_e_15e:B-H-Li-N, expected LiB9(H14N3)5 to be LiB3H18N5" +mp-1196392,LiBH5N,-4.6748693569,-0.4388143834,0.0902602446,0.0902602446,GGA,Pbca,AB5CD_oP64_61_c_5c_c_c:B-H-Li-N,64.0,AB5CD_oP64_61_c_5c_c_c:B-H-Li-N +mp-1202237,MgB2H13N3,-4.8489564016,-0.4240097199,0.0429296446,0.0429296446,GGA,P2_1/c,A2B13CD3_mP76_14_2e_13e_e_3e:B-H-Mg-N,76.0,A2B13CD3_mP76_14_2e_13e_e_3e:B-H-Mg-N +mp-866665,LiMgB3(H9N)2,-4.3886692674,-0.3370917918,0.0619600141,0.0619600141,GGA,P6_3,A3B18CDE2_hP50_173_c_6c_a_b_2b:B-H-Li-Mg-N,50.0,"Invalid WP multiplicities - A3B18CDE2_hP50_173_c_12c_a_b_4b:B-H-Li-Mg-N, expected LiMgB3(H9N)4 to be LiMgB3(H9N)2" +mp-1101935,Li4Mg(HN)3,-4.6909961727,-0.6524839521,0.0,-0.0016290493,GGA,Imm2,A3B4CD3_oI22_44_ac_2c_b_ac:H-Li-Mg-N,11.0,A3B4CD3_oI22_44_ac_2c_b_ac:H-Li-Mg-N +mp-1180702,Li2BH6N,-4.3619138795,-0.4429050096,0.0794607297,0.0794607297,GGA,R-3,AB6C2D_hR180_148_f_6f_2f_f:B-H-Li-N,60.0,AB6C2D_hR180_148_f_6f_2f_f:B-H-Li-N +mp-1232407,Li3B3(H8N)2,-4.3440227492,-0.3139581457,0.1579519328,0.1579519328,GGA,P2_1,A3B16C3D2_mP48_4_3a_16a_3a_2a:B-H-Li-N,48.0,A3B16C3D2_mP48_4_3a_16a_3a_2a:B-H-Li-N +mp-1196592,MgB4(H10N)2,-4.4466642757,-0.2672065764,0.0935009851,0.0935009851,GGA,P2_12_12_1,A4B20CD2_oP108_19_4a_20a_a_2a:B-H-Mg-N,108.0,A4B20CD2_oP108_19_4a_20a_a_2a:B-H-Mg-N +mp-1199691,MgB4(H10N)2,-4.4577990238,-0.2783413244,0.0823662371,0.0823662371,GGA,P2_12_12_1,A4B20CD2_oP108_19_4a_20a_a_2a:B-H-Mg-N,108.0,A4B20CD2_oP108_19_4a_20a_a_2a:B-H-Mg-N +mp-1196441,LiB2H11N2,-4.7148168083,-0.3860241362,0.0711474502,0.0711474502,GGA,P2_1/c,A2B11CD2_mP64_14_2e_11e_e_2e:B-H-Li-N,64.0,A2B11CD2_mP64_14_2e_11e_e_2e:B-H-Li-N +mp-1204824,LiB(H4N)2,-4.6669015044,-0.2999754338,0.1936348003,0.1936348003,GGA,Cc,AB8CD2_mC96_9_2a_16a_2a_4a:B-H-Li-N,48.0,AB8CD2_mC96_9_2a_16a_2a_4a:B-H-Li-N +mp-1209315,Rb3DyV2O8,-7.3826022193,-2.7190514416,0.0,-0.0281825901,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Dy-O-Rb-V,14.0,AB8C3D2_hP14_164_a_di_bd_d:Dy-O-Rb-V +mp-1211702,K2RbDyV2O8,-7.417972035,-2.7358691324,0.0,-0.0277868123,GGA+U,P-3m1,AB2C8DE2_hP14_164_a_d_di_b_d:Dy-K-O-Rb-V,14.0,AB2C8DE2_hP14_164_a_d_di_b_d:Dy-K-O-Rb-V +mp-818638,NdFeC6N6O5,-7.2303436676,0.315055001,1.3636120155,1.3636120155,GGA+U,Cmcm,A6BC6DE5_oC76_63_fh_a_fh_c_cfg:C-Fe-N-Nd-O,38.0,"Invalid WP multiplicities - A6BC6DE5_oC76_63_4f4h_a_4f4h_c_2cf2g:C-Fe-N-Nd-O, expected NdFeC24(N3O)8 to be NdFeC6N6O5" +mp-9498,Nd2C(NO)2,-8.8513959714,-2.3754920243,0.0,-0.2803929855,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-Nd-O,7.0,AB2C2D2_hP7_164_a_c_d_d:C-N-Nd-O +mp-818675,NdFeC6(N3O2)2,-7.5289677431,0.160803701,1.120085222,1.120085222,GGA+U,Cmcm,A6BC6DE4_oC72_63_fh_a_fh_c_fg:C-Fe-N-Nd-O,36.0,A6BC6DE4_oC72_63_fh_a_fh_c_fg:C-Fe-N-Nd-O +mp-1224333,Hf2HC,-8.829544175,-0.6956017756,0.0,-0.00216479,GGA,R-3m,ABC2_hR12_166_a_b_c:C-H-Hf,4.0,ABC2_hR12_166_a_b_c:C-H-Hf +mp-568358,Si2H15C5N,-5.347966356,-0.2948642202,0.0335415312,0.0335415312,GGA,P2_1/c,A5B15CD2_mP92_14_5e_15e_e_2e:C-H-N-Si,92.0,"Invalid WP multiplicities - A5B15CD2_mP92_14_17e_56e_e_7e:C-H-N-Si, expected Si7H56C17N to be Si2H15C5N" +mp-1212442,Hf5Si3N,-9.3476462711,-1.0811580306,0.0,-0.0508930322,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Hf-N-Si,18.0,A5BC3_hP18_193_dg_b_g:Hf-N-Si +mp-569078,Si2H18C7N2,-5.5302389587,-0.2477095391,0.1135275738,0.1135275738,GGA,P2_1/c,A7B18C2D2_mP116_14_7e_18e_2e_2e:C-H-N-Si,116.0,"Invalid WP multiplicities - A7B18C2D2_mP116_14_24e_70e_6e_3e:C-H-N-Si, expected Si3H70(C4N)6 to be Si2H18C7N2" +mp-24026,Si3H9N,-4.5083243304,-0.2662486827,0.0218348898,0.0218348898,GGA,P-1,A9BC3_aP26_2_9i_i_3i:H-N-Si,26.0,A9BC3_aP26_2_9i_i_3i:H-N-Si +mp-571097,SiH17C11N,-5.9235339097,-0.1584180384,0.100972866,0.100972866,GGA,P-1,A11B17CD_aP60_2_11i_17i_i_i:C-H-N-Si,60.0,"Invalid WP multiplicities - A11B17CD_aP60_2_20i_33i_i_i:C-H-N-Si, expected SiH33C20N to be SiH17C11N" +mp-976267,Si12HN8,-6.9465770067,-0.5090293017,0.3651479109,0.3651479109,GGA,P4mm,AB8C12_tP21_99_a_2d_d2e:H-N-Si,21.0,"Invalid WP multiplicities - AB8C12_tP21_99_a_7d_d7e:H-N-Si, expected Si32HN28 to be Si12HN8" +mp-1201090,Si5H42(C7N)2,-5.2728515462,-0.2649882004,0.0418356163,0.0418356163,GGA,Pbcn,A14B42C2D5_oP252_60_7d_21d_d_c2d:C-H-N-Si,252.0,A14B42C2D5_oP252_60_7d_21d_d_c2d:C-H-N-Si +mp-1181094,Hf2SiH,-7.9459815212,-0.7628759875000001,0.0,-0.0575944688,GGA,I4/mcm,AB2C_tI16_140_b_h_a:H-Hf-Si,8.0,AB2C_tI16_140_b_h_a:H-Hf-Si +mp-1200761,Si6H31C10N,-5.1591695043,-0.1935535579,0.0782894144,0.0782894144,GGA,C2/c,A10B31CD6_mC192_15_5f_e15f_e_3f:C-H-N-Si,96.0,A10B31CD6_mC192_15_5f_e15f_e_3f:C-H-N-Si +mp-658943,Si2H25C10N,-5.3569752617,-0.1913979713,0.0910512004,0.0910512004,GGA,P1,A10B25CD2_aP152_1_40a_100a_4a_8a:C-H-N-Si,152.0,"Invalid WP multiplicities - A10B25CD2_mP152_7_37a_99a_4a_5a:C-H-N-Si, expected Si5H99C37N4 to be Si2H25C10N" +mp-605056,Si2H25C10N,-5.3817273063,-0.2161500159,0.0662991559,0.0662991559,GGA,P2_1/c,A10B25CD2_mP152_14_10e_25e_e_2e:C-H-N-Si,152.0,"Invalid WP multiplicities - A10B25CD2_mP152_14_33e_97e_e_3e:C-H-N-Si, expected Si3H97C33N to be Si2H25C10N" +mp-1200354,Na4Sn(S2O7)2,-5.4014435209,-1.2666994142,0.7780241639000001,0.7780241639000001,GGA,Cc,A4B14C4D_mC92_9_4a_14a_4a_a:Na-O-S-Sn,,A4B14C4D_mC92_9_4a_14a_4a_a:Na-O-S-Sn +mp-780239,Na6Sn2B4SO16,-6.7644604247,-2.4211731212,0.0,-0.0093562333,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Na-O-S-Sn,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:B-Na-O-S-Sn, expected Na6Sn2B4SO108 to be Na6Sn2B4SO16" +mp-1202012,Na2Sn(S2O7)3,-6.3859978338,-1.8742050145,0.0,-0.0318103097,GGA,P-3,A2B21C6D_hP180_147_2g_21g_6g_c2d:Na-O-S-Sn,180.0,A2B21C6D_hP180_147_2g_21g_6g_c2d:Na-O-S-Sn +mp-1193526,Na2SnS3O7,-5.17989336,-1.0498323584,0.840893985,0.840893985,GGA,P-1,A2B7C3D_aP26_2_2i_7i_3i_i:Na-O-S-Sn,26.0,A2B7C3D_aP26_2_2i_7i_3i_i:Na-O-S-Sn +mp-1203259,CsH4CN3,-5.8445252981,-0.4329189848,0.0,-0.0323582905,GGA,Pnma,ABC4D3_oP36_62_c_c_2d_cd:C-Cs-H-N,36.0,ABC4D3_oP36_62_c_c_2d_cd:C-Cs-H-N +mp-1245989,CsSi2N3,-6.859823185,-0.7339026505,0.3078640681,0.3078640681,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Cs-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Cs-N-Si +mp-1213652,CsH2CN5,-6.8680803742,-0.3578587542,0.0048589758,0.0048589758,GGA,Pnma,ABC2D5_oP36_62_c_c_d_c2d:C-Cs-H-N,36.0,ABC2D5_oP36_62_c_c_d_c2d:C-Cs-H-N +mp-1199473,CsSi2H18C6N,-5.1597354417,-0.2838927587,0.0250656808,0.0250656808,GGA,Pbca,A6BC18DE2_oP224_61_6c_c_18c_c_2c:C-Cs-H-N-Si,224.0,A6BC18DE2_oP224_61_6c_c_18c_c_2c:C-Cs-H-N-Si +mp-770612,Li4CrH8SO7,-5.5691331571,-1.6075227694,0.0361067117,0.0361067117,GGA+U,P2_1/c,AB8C4D7E_mP84_14_e_8e_4e_7e_e:Cr-H-Li-O-S,84.0,"Invalid WP multiplicities - AB8C4D7E_mP84_14_e_31e_13e_27e_e:Cr-H-Li-O-S, expected Li13CrH31SO27 to be Li4CrH8SO7" +mp-734839,CrH6SO7,-6.1470614617,-1.5622164893,0.0283885568,0.0283885568,GGA+U,Cc,AB6C7D_mC60_9_a_6a_7a_a:Cr-H-O-S,30.0,AB6C7D_mC60_9_a_6a_7a_a:Cr-H-O-S +mp-744790,CrH10SO9,-5.6193273521,-1.2270913432,0.2762545122,0.2762545122,GGA+U,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cr-H-O-S,42.0,AB10C9D_aP42_2_bc_10i_9i_i:Cr-H-O-S +mp-1202852,CrH10SO9,-5.8657445912,-1.4735085822,0.0298372732,0.0298372732,GGA+U,P-1,AB10C9D_aP42_2_bc_10i_9i_i:Cr-H-O-S,42.0,AB10C9D_aP42_2_bc_10i_9i_i:Cr-H-O-S +mp-727766,CrH15S2O15,-5.8480162611,-1.5141626688,0.0,-0.0091931691,GGA+U,P2_1/c,AB15C15D2_mP132_14_e_15e_15e_2e:Cr-H-O-S,132.0,"Invalid WP multiplicities - AB15C15D2_mP132_14_e_57e_55e_3e:Cr-H-O-S, expected CrH57S3O55 to be CrH15S2O15" +mp-1214180,CaAs(WO2)2,-7.3404442606,-0.7944775619000001,1.2705665021,1.2705665021,GGA+U,Cc,ABC4D2_mC32_9_a_a_4a_2a:As-Ca-O-W,16.0,ABC4D2_mC32_9_a_a_4a_2a:As-Ca-O-W +mp-1041855,Ca3As4W3O16,-7.4828251571,-1.9953373367,0.3104333119,0.3104333119,GGA+U,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Ca-O-W,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Ca-O-W, expected Ca3As10W3O58 to be Ca3As4W3O16" +mp-17019,Ca2YAs(WO6)2,-8.3493515481,-2.7708340884,0.0,-0.0094197653,GGA+U,I4_1/a,AB2C12D2E_tI72_88_a_e_3f_e_b:As-Ca-O-W-Y,36.0,"Invalid WP multiplicities - AB2C12D2E_tI72_88_a_e_4f_e_b:As-Ca-O-W-Y, expected Ca2YAs(WO8)2 to be Ca2YAs(WO6)2" +mp-1360721,CaAsWO5,-7.8086071437,-2.2640706348,0.1206636841,0.1206636841,GGA+U,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Ca-O-W,32.0,ABC5D_mP32_4_2a_2a_10a_2a:As-Ca-O-W +mp-1043068,CaAs2WO7,-7.5021219241,-2.1467775697,0.0814679734,0.0814679734,GGA+U,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-W,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-W +mp-1215153,Ca3As2(W5O4)2,-8.0637822041,-0.0424844459,1.5749478489,1.5749478489,GGA+U,P-1,A2B3C8D10_aP46_2_2i_3i_8i_10i:As-Ca-O-W,46.0,A2B3C8D10_aP46_2_2i_3i_8i_10i:As-Ca-O-W +mp-1237313,Ca3As2(W5O4)2,-7.8752317307,0.1460660276,1.7634983224,1.7634983224,GGA+U,P-1,A2B3C8D10_aP46_2_2i_3i_8i_10i:As-Ca-O-W,46.0,A2B3C8D10_aP46_2_2i_3i_8i_10i:As-Ca-O-W +mp-1367535,Ca2YWO5,-8.1713566833,-2.8192183878,0.3635635069,0.3635635069,GGA+U,Cc,A2B5CD_mC36_9_2a_5a_a_a:Ca-O-W-Y,18.0,"Invalid WP multiplicities - A2B5CD_mC36_9_3a_8a_a_a:Ca-O-W-Y, expected Ca3YWO8 to be Ca2YWO5" +mp-1147624,BiCNO,-6.982750425,-0.3946658603,0.3244155029,0.3244155029,GGA,P4/nmm,ABCD_tP8_129_c_c_c_a:Bi-C-N-O,8.0,ABCD_tP8_129_c_c_c_a:Bi-C-N-O +mp-818314,FeBiC6(N3O2)2,-7.0457596031,0.5924752686,1.2581348862,1.2581348862,GGA+U,Cmcm,AB6CD6E4_oC72_63_c_fh_a_fh_fg:Bi-C-Fe-N-O,36.0,AB6CD6E4_oC72_63_c_fh_a_fh_fg:Bi-C-Fe-N-O +mp-542064,MnAs2S2(OF3)4,-5.5787492086,-2.2702894804,0.0403592729,0.0403592729,GGA+U,Fdd2,A2B12CD4E2_oF168_43_b_6b_a_2b_b:As-F-Mn-O-S,42.0,A2B12CD4E2_oF168_43_b_6b_a_2b_b:As-F-Mn-O-S +mp-25462,Li3TiPCO7,-7.2671622208,-2.429389175,0.2787372939,0.2787372939,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-P-Ti,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_e2f_9e2f_e_e:C-Li-O-P-Ti, expected Li5TiPCO13 to be Li3TiPCO7" +mp-25418,LiTiPCO7,-8.0443717314,-2.6740804712,0.0249329973,0.0249329973,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-Ti,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_12a_a_a:C-Li-O-P-Ti, expected LiTiPCO12 to be LiTiPCO7" +mp-753639,LiTiPCO7,-8.030403005,-2.6601117449,0.0389017236,0.0389017236,GGA,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Li-O-P-Ti,22.0,"Invalid WP multiplicities - ABC7DE_mP22_11_e_e_9e2f_e_e:C-Li-O-P-Ti, expected LiTiPCO13 to be LiTiPCO7" +mp-25400,Li2TiPCO7,-7.6561768329,-2.5743329389,0.1300167296,0.1300167296,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Ti,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_8e2f_e_e:C-Li-O-P-Ti, expected Li2TiPCO12 to be Li2TiPCO7" +mp-725605,CdC3S3N5,-6.8385653935,0.0531604784,0.2730892892,0.2730892892,GGA,P2_12_12_1,A3BC5D3_oP48_19_3a_a_5a_3a:C-Cd-N-S,48.0,A3BC5D3_oP48_19_3a_a_5a_3a:C-Cd-N-S +mp-680579,ZnC2(SN)2,-6.5949983307,-0.2145748766,0.1514245291,0.1514245291,GGA,P-1,A2B2C2D_aP28_2_4i_4i_4i_2i:C-N-S-Zn,28.0,"Invalid WP multiplicities - A2B2C2D_aP28_2_8i_7i_8i_3i:C-N-S-Zn, expected Zn3C8S8N7 to be ZnC2(SN)2" +mp-541931,ZnCdC4(SN)4,-6.5528873171,-0.1965248523,0.1438614733,0.1438614733,GGA,I-4,A4BC4D4E_tI28_82_g_a_g_g_c:C-Cd-N-S-Zn,14.0,A4BC4D4E_tI28_82_g_a_g_g_c:C-Cd-N-S-Zn +mp-728419,CdC7S3N4,-6.5203673502,0.8982244837000001,1.0741675324,1.0741675324,GGA,Pna2_1,A7BC4D3_oP60_33_7a_a_4a_3a:C-Cd-N-S,60.0,A7BC4D3_oP60_33_7a_a_4a_3a:C-Cd-N-S +mp-540903,CdC2(SN)2,-6.4625293836,-0.130227908,0.1845453375,0.1845453375,GGA,P2_1/c,A2BC2D2_mP28_14_2e_e_2e_2e:C-Cd-N-S,28.0,A2BC2D2_mP28_14_2e_e_2e_2e:C-Cd-N-S +mp-731997,CdC12(S2N3)2,-6.6817011674,1.0675007755,1.2011911556,1.2011911556,GGA,P-1,A12BC6D4_aP23_2_6i_a_3i_2i:C-Cd-N-S,23.0,A12BC6D4_aP23_2_6i_a_3i_2i:C-Cd-N-S +mp-1192608,CdC12(S2N3)2,-7.0431464261,0.7060555168,0.8397458969,0.8397458969,GGA,P-1,A12BC6D4_aP23_2_6i_a_3i_2i:C-Cd-N-S,23.0,A12BC6D4_aP23_2_6i_a_3i_2i:C-Cd-N-S +mp-560320,KBa2(PO3)5,-7.5371625787,-2.9191107513,0.0,-0.0001318843,GGA,Pc,A2BC15D5_mP46_7_2a_a_15a_5a:Ba-K-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mP46_7_4a_a_29a_9a:Ba-K-O-P, expected KBa4P9O29 to be KBa2(PO3)5" +mp-725402,KBaFe2(PO4)3,-7.3787791466,-2.3488008117,0.2838699791,0.2838699791,GGA+U,P2_13,AB2CD12E3_cP76_198_a_2a_a_4b_b:Ba-Fe-K-O-P,76.0,"Invalid WP multiplicities - AB2CD12E3_cP76_198_a_5a_a_37b_b:Ba-Fe-K-O-P, expected KBaFe5(PO37)3 to be KBaFe2(PO4)3" +mp-6812,KBaPO4,-7.0773490343,-3.044573143,0.0,-0.0364741229,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-K-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-K-O-P +mp-734006,KBaP3O10,-7.1353557252,-2.5529444905,0.1335503834,0.1335503834,GGA,P2_1/c,ABC10D3_mP60_14_e_e_10e_3e:Ba-K-O-P,60.0,ABC10D3_mP60_14_e_e_10e_3e:Ba-K-O-P +mp-18038,KBaFeO3,-6.5577558063,-2.1678456011,0.0,-0.0603921762,GGA+U,Cmce,ABCD3_oC48_64_f_f_f_e2f:Ba-Fe-K-O,24.0,"Invalid WP multiplicities - ABCD3_oC48_64_f_f_f_e3f:Ba-Fe-K-O, expected KBaFeO4 to be KBaFeO3" +mp-758564,Li2V(CO3)3,-7.714815411,-2.0409522989,0.0629196147,0.0629196147,GGA+U,Ama2,A3B2C9D_oC60_40_bc_2b_3b3c_b:C-Li-O-V,30.0,"Invalid WP multiplicities - A3B2C9D_oC60_40_2b3c_3b_6b11c_b:C-Li-O-V, expected Li3V(C2O7)4 to be Li2V(CO3)3" +mp-758446,LiV2(CO4)2,-8.1299878433,-2.1217127908,0.0987693648,0.0987693648,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:C-Li-O-V,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_30e_6e:C-Li-O-V, expected LiV6(CO5)6 to be LiV2(CO4)2" +mp-10046,V2AsC,-8.5472231287,-0.5333241194,0.0,-0.0257431783,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:As-C-V,8.0,ABC2_hP8_194_c_a_f:As-C-V +mp-759521,Li4V(CO3)4,-7.4630677763,-2.0823761553,0.0628963273,0.0628963273,GGA+U,P1,A4B4C12D_aP84_1_16a_16a_48a_4a:C-Li-O-V,84.0,A4B4C12D_aP84_1_16a_16a_48a_4a:C-Li-O-V +mp-765146,Li5V(CO3)4,-7.3710963974,-2.148212447,0.0521595167,0.0521595167,GGA+U,P2_1/c,A4B5C12D_mP88_14_4e_5e_12e_e:C-Li-O-V,88.0,"Invalid WP multiplicities - A4B5C12D_mP88_14_7e_9e_27e_e:C-Li-O-V, expected Li9VC7O27 to be Li5V(CO3)4" +mp-772133,Li2VAsCO7,-7.2482520196,-2.1302222963,0.039084549,0.039084549,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Li-O-V,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Li-O-V +mp-1177474,Li3VAs2O9,-6.6584394537,-2.0818321282,0.0525530162,0.0525530162,GGA+U,Pna2_1,A2B3C9D_oP60_33_2a_3a_9a_a:As-Li-O-V,60.0,"Invalid WP multiplicities - A2B3C9D_oP60_33_4a_6a_18a_a:As-Li-O-V, expected Li6V(As2O9)2 to be Li3VAs2O9" +mp-1189345,V5As3C,-8.0647531594,-0.4396919308,0.0687561689,0.0687561689,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:As-C-V,18.0,A3BC5_hP18_193_g_b_dg:As-C-V +mp-1177806,Li2VCO5,-7.4958458256,-2.2887501753,0.0374737261,0.0374737261,GGA+U,P1,AB2C5D_aP36_1_4a_8a_20a_4a:C-Li-O-V,36.0,AB2C5D_aP36_1_4a_8a_20a_4a:C-Li-O-V +mp-758001,Li2VCO5,-7.4860162853,-2.278920635,0.0473032664,0.0473032664,GGA+U,Pbam,AB2C5D_oP36_55_g_adh_3g2h_g:C-Li-O-V,36.0,"Invalid WP multiplicities - AB2C5D_oP36_55_g_2a2d3h_10g7h_g:C-Li-O-V, expected Li5VCO17 to be Li2VCO5" +mp-758080,LiV(CO3)2,-7.9565544317,-2.0435252128,0.0987644212,0.0615894953,GGA+U,P-1,A2BC6D_aP40_2_4i_2i_12i_2i:C-Li-O-V,40.0,"Invalid WP multiplicities - A2BC6D_aP40_2_7i_3i_23i_3i:C-Li-O-V, expected Li3V3C7O23 to be LiV(CO3)2" +mp-753587,LiV(CO3)2,-7.9745599423,-2.0615307233,0.0807589107,0.0435839848,GGA+U,P2_1,A2BC6D_mP20_4_2a_a_6a_a:C-Li-O-V,40.0,A2BC6D_mP20_4_2a_a_6a_a:C-Li-O-V +mp-763567,LiV(CO3)2,-7.929837992,-2.0168087731,0.125480861,0.0883059351,GGA+U,P2_1,A2BC6D_mP20_4_2a_a_6a_a:C-Li-O-V,40.0,A2BC6D_mP20_4_2a_a_6a_a:C-Li-O-V +mp-765385,LiV(CO3)2,-7.990589088,-2.0775598691,0.064729765,0.0275548391,GGA+U,P2_1,A2BC6D_mP20_4_2a_a_6a_a:C-Li-O-V,20.0,"Invalid WP multiplicities - A2BC6D_mP20_4_3a_a_11a_a:C-Li-O-V, expected LiVC3O11 to be LiV(CO3)2" +mp-1273748,LiV(CO3)2,-7.9887965435,-2.0757673246,0.0665223095,0.0293473836,GGA+U,C2,A2BC6D_mC20_5_c_a_3c_b:C-Li-O-V,20.0,"Invalid WP multiplicities - A2BC6D_mC20_5_c_a_4c_b:C-Li-O-V, expected LiV(CO4)2 to be LiV(CO3)2" +mp-757999,LiV(CO3)2,-8.0072249118,-2.0941956928,0.0480939412,0.0109190153,GGA+U,P2_1/c,A2BC6D_mP20_14_e_a_3e_d:C-Li-O-V,40.0,A2BC6D_mP20_14_e_a_3e_b:C-Li-O-V +mp-753909,LiV(CO3)2,-8.0189636137,-2.1059343948,0.0363552392,-0.0008196867,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-Li-O-V,40.0,A2BC6D_mC40_15_f_e_3f_e:C-Li-O-V +mp-757720,LiV(CO3)2,-8.0240129415,-2.1109837226,0.0313059115,-0.0058690144,GGA+U,I-42d,A2BC6D_tI80_122_e_d_3e_d:C-Li-O-V,40.0,"Invalid WP multiplicities - A2BC6D_tI80_122_e_d_14e_d:C-Li-O-V, expected LiV(CO14)2 to be LiV(CO3)2" +mp-762019,LiV(CO3)2,-8.055318853,-2.1422896341,0.0,-0.0371749259,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:C-Li-O-V,10.0,A2BC6D_hR30_148_c_a_f_b:C-Li-O-V +mp-1273249,LiV(CO3)2,-7.9891663207,-2.0761371018,0.0661525322,0.0289776063,GGA+U,P312,A2BC6D_hP10_149_i_a_l_d:C-Li-O-V,40.0,"Invalid WP multiplicities - A2BC6D_mC20_5_c_a_4c_b:C-Li-O-V, expected LiV(CO4)2 to be LiV(CO3)2" +mp-757212,LiV(CO3)2,-7.9869876883,-2.0739584694,0.0683311647,0.0311562387,GGA+U,P321,A2BC6D_hP30_150_c2d_e_3g_f:C-Li-O-V,30.0,"Invalid WP multiplicities - A2BC6D_hP30_150_c4d_e_15g_f:C-Li-O-V, expected Li3V3(CO9)10 to be LiV(CO3)2" +mp-1176757,LiV(CO3)2,-7.9676865223,-2.0546573034,0.0876323307,0.0504574047,GGA+U,P321,A2BC6D_hP30_150_c2d_e_3g_f:C-Li-O-V,30.0,"Invalid WP multiplicities - A2BC6D_hP30_150_c4d_e_15g_f:C-Li-O-V, expected Li3V3(CO9)10 to be LiV(CO3)2" +mp-763059,LiV(CO3)2,-7.958996729,-2.0459675101,0.096322124,0.0591471981,GGA+U,R32,A2BC6D_hR30_155_c_a_f_b:C-Li-O-V,10.0,A2BC6D_hR30_155_c_a_f_b:C-Li-O-V +mp-756295,LiVAsCO7,-7.4343614523,-2.024594742,0.0480498861,0.0480498861,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Li-O-V,44.0,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Li-O-V +mp-758041,Li3V(CO3)3,-7.5728164131,-2.1342620663,0.0479591694,0.0479591694,GGA+U,Ama2,A3B3C9D_oC64_40_bc_a2b_3b3c_b:C-Li-O-V,32.0,"Invalid WP multiplicities - A3B3C9D_oC64_40_2b3c_2a4b_6b11c_b:C-Li-O-V, expected Li6V(C2O7)4 to be Li3V(CO3)3" +mp-1176889,Li7V4(CO3)10,-7.7421539378,-2.0483225533,0.0951953125,0.0951953125,GGA+U,P2_1,A10B7C30D4_mP102_4_10a_7a_30a_4a:C-Li-O-V,102.0,"Invalid WP multiplicities - A10B7C30D4_mP102_4_19a_13a_59a_7a:C-Li-O-V, expected Li13V7C19O59 to be Li7V4(CO3)10" +mp-17387,LiVAsO5,-7.2341812516,-2.1860073893,0.0,-0.0133366616,GGA+U,Pnma,ABC5D_oP32_62_c_a_3cd_c:As-Li-O-V,32.0,"Invalid WP multiplicities - ABC5D_oP32_62_c_a_7c2d_c:As-Li-O-V, expected LiVAsO11 to be LiVAsO5" +mp-673833,Li7VAs4,-4.0729714775,-0.6494014978,0.0,-0.0019835469,GGA,C2/c,A4B7C_mC48_15_2f_e3f_e:As-Li-V,24.0,"Invalid WP multiplicities - A4B7C_mC48_15_5f_2e11f_e:As-Li-V, expected Li24VAs10 to be Li7VAs4" +mp-1176659,LiVCO5,-7.7369066386,-2.1175393904,0.0638131948,0.0638131948,GGA+U,P1,ABC5D_aP64_1_8a_8a_40a_8a:C-Li-O-V,64.0,ABC5D_aP64_1_8a_8a_40a_8a:C-Li-O-V +mp-752765,LiV2(CO3)4,-8.1234580805,-1.999686422,0.0786468208,0.0786468208,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:C-Li-O-V,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:C-Li-O-V +mp-758669,LiV2(CO3)4,-8.1160942405,-1.992322582,0.0860106608,0.0860106608,GGA+U,P-1,A4BC12D2_aP38_2_4i_i_12i_2i:C-Li-O-V,38.0,"Invalid WP multiplicities - A4BC12D2_aP38_2_7i_i_23i_3i:C-Li-O-V, expected LiV3C7O23 to be LiV2(CO3)4" +mp-752532,LiV2(CO3)4,-8.1534561103,-2.0296844518,0.0486487911,0.0486487911,GGA+U,P-1,A4BC12D2_aP19_2_2i_a_6i_be:C-Li-O-V,38.0,A4BC12D2_aP19_2_2i_a_6i_be:C-Li-O-V +mp-763558,LiV2(CO3)4,-8.1520179768,-2.0282463183,0.0500869245,0.0500869245,GGA+U,C2,A4BC12D2_mC38_5_2c_a_6c_ab:C-Li-O-V,38.0,"Invalid WP multiplicities - A4BC12D2_mC38_5_2c_a_6c_2a2b:C-Li-O-V, expected LiV4(CO3)4 to be LiV2(CO3)4" +mp-758260,LiV2(CO3)4,-8.1034101534,-1.9796384949,0.0986947479,0.0986947479,GGA+U,Pc,A4BC12D2_mP38_7_4a_a_12a_2a:C-Li-O-V,38.0,"Invalid WP multiplicities - A4BC12D2_mP38_7_8a_a_24a_3a:C-Li-O-V, expected LiV3(CO3)8 to be LiV2(CO3)4" +mp-758175,LiV2(CO3)4,-8.1507039903,-2.0269323318,0.0514009111,0.0514009111,GGA+U,Cc,A4BC12D2_mC76_9_4a_a_12a_2a:C-Li-O-V,38.0,"Invalid WP multiplicities - A4BC12D2_mC76_9_8a_a_24a_4a:C-Li-O-V, expected LiV4(CO3)8 to be LiV2(CO3)4" +mp-758570,LiV2(CO3)4,-8.1478482658,-2.0240766073,0.0542566355,0.0542566355,GGA+U,I2_12_12_1,A4BC12D2_oI76_24_2d_a_6d_ab:C-Li-O-V,38.0,"Invalid WP multiplicities - A4BC12D2_oI76_24_6d_a_23d_2a2b:C-Li-O-V, expected LiV4(C6O23)2 to be LiV2(CO3)4" +mp-758280,Li2V3(CO3)6,-8.0999900545,-2.0488882027,0.0514989681,0.0514989681,GGA+U,P-1,A6B2C18D3_aP29_2_3i_i_9i_ai:C-Li-O-V,29.0,"Invalid WP multiplicities - A6B2C18D3_aP29_2_5i_i_16i_a2i:C-Li-O-V, expected Li2V5(C5O16)2 to be Li2V3(CO3)6" +mp-765999,LiVCO4,-7.9417169304,-2.2262527483,0.0400374954,0.0400374954,GGA+U,P2_1/c,ABC4D_mP28_14_e_e_4e_e:C-Li-O-V,28.0,ABC4D_mP28_14_e_e_4e_e:C-Li-O-V +mp-1176541,LiVCO4,-7.9413123793,-2.2258481973,0.0404420465,0.0404420465,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:C-Li-O-V,28.0,ABC4D_mP28_14_e_e_4e_e:C-Li-O-V +mp-758380,Li3V2(CO5)2,-7.5909941604,-2.1898883465,0.0715212054,0.0715212054,GGA+U,Pmc2_1,A2B3C10D2_oP68_26_2c_2a2bc_4a4b6c_2c:C-Li-O-V,68.0,"Invalid WP multiplicities - A2B3C10D2_oP68_26_2c_3a4b2c_8a8b10c_2c:C-Li-O-V, expected Li11V4(CO9)4 to be Li3V2(CO5)2" +mp-758087,Li4V3(CO3)6,-7.8852000813,-2.1013355834,0.0549825541,0.0549825541,GGA+U,P-1,A6B4C18D3_aP31_2_3i_2i_9i_ai:C-Li-O-V,31.0,"Invalid WP multiplicities - A6B4C18D3_aP31_2_5i_3i_17i_ai:C-Li-O-V, expected Li6V3(C5O17)2 to be Li4V3(CO3)6" +mp-753641,Li3V2(CO3)4,-7.8065632086,-2.0842057207,0.0787926565,0.0787926565,GGA+U,P1,A4B3C12D2_aP21_1_4a_3a_12a_2a:C-Li-O-V,21.0,A4B3C12D2_aP21_1_4a_3a_12a_2a:C-Li-O-V +mp-1644899,Li3V2(CO3)4,-7.8141157624,-2.0917582745,0.0712401027,0.0712401027,GGA+U,P1,A4B3C12D2_aP42_1_8a_6a_24a_4a:C-Li-O-V,42.0,A4B3C12D2_aP42_1_8a_6a_24a_4a:C-Li-O-V +mp-1177522,Li3V2(CO3)4,-7.797626514,-2.0752690262,0.087729351,0.087729351,GGA+U,P2_1,A4B3C12D2_mP42_4_4a_3a_12a_2a:C-Li-O-V,42.0,"Invalid WP multiplicities - A4B3C12D2_mP42_4_5a_4a_22a_2a:C-Li-O-V, expected Li4V2C5O22 to be Li3V2(CO3)4" +mp-752905,Li3V2(CO3)4,-7.8120603086,-2.0897028207,0.0732955565,0.0732955565,GGA+U,C2,A4B3C12D2_mC42_5_2c_ac_6c_ab:C-Li-O-V,42.0,A4B3C12D2_mC42_5_2c_ac_6c_ab:C-Li-O-V +mp-1177164,Li4VAs2O9,-6.5944919298,-2.1846148831,0.0439113766,0.0439113766,GGA+U,P4/ncc,A2B4C9D_tP64_130_f_g_c2g_c:As-Li-O-V,64.0,"Invalid WP multiplicities - A2B4C9D_tP64_130_f_g_2c11g_c:As-Li-O-V, expected Li4V(AsO23)2 to be Li4VAs2O9" +mp-27769,V3AsC,-8.744546,-0.5166455785,0.0,-0.0111560593,GGA,Cmcm,ABC3_oC20_63_c_a_cf:As-C-V,10.0,"Invalid WP multiplicities - ABC3_oC20_63_c_a_c2f:As-C-V, expected V5AsC to be V3AsC" +mp-766441,Li2V(CO3)2,-7.6046069627,-2.0555874122,0.1262370951,0.1262370951,GGA+U,P1,A2B2C6D_aP22_1_4a_4a_12a_2a:C-Li-O-V,22.0,A2B2C6D_aP22_1_4a_4a_12a_2a:C-Li-O-V +mp-758928,Li2V(CO3)2,-7.6497032318,-2.1006836813,0.081140826,0.081140826,GGA+U,P-1,A2B2C6D_aP44_2_4i_4i_12i_aei:C-Li-O-V,44.0,"Invalid WP multiplicities - A2B2C6D_aP44_2_6i_8i_22i_ae2i:C-Li-O-V, expected Li8V3(C3O11)2 to be Li2V(CO3)2" +mp-766004,Li2V(CO3)2,-7.6414867161,-2.0924671656,0.0893573417,0.0893573417,GGA+U,P2_1,A2B2C6D_mP22_4_2a_2a_6a_a:C-Li-O-V,44.0,A2B2C6D_mP22_4_2a_2a_6a_a:C-Li-O-V +mp-1638861,Li2V(CO3)2,-7.6420784089,-2.0930588583,0.0887656489,0.0887656489,GGA+U,P2_1,A2B2C6D_mP22_4_2a_2a_6a_a:C-Li-O-V,44.0,A2B2C6D_mP22_4_2a_2a_6a_a:C-Li-O-V +mp-759889,Li2V(CO3)2,-7.657373895,-2.1083543445,0.0734701628,0.0734701628,GGA+U,C2,A2B2C6D_mC88_5_4c_2a2b2c_12c_abc:C-Li-O-V,44.0,"Invalid WP multiplicities - A2B2C6D_mC88_5_7c_2a2b4c_24c_abc:C-Li-O-V, expected Li6V2C7O24 to be Li2V(CO3)2" +mp-1571229,Li2V(CO3)2,-7.6476302873,-2.0986107367,0.0832137705,0.0832137705,GGA+U,C2,A2B2C6D_mC44_5_2c_2c_6c_ab:C-Li-O-V,22.0,A2B2C6D_aP22_1_4a_4a_12a_2a:C-Li-O-V +mp-760222,Li2V(CO3)2,-7.6408784655,-2.0918589149,0.0899655924,0.0899655924,GGA+U,Cc,A2B2C6D_mC88_9_4a_4a_12a_2a:C-Li-O-V,44.0,"Invalid WP multiplicities - A2B2C6D_mC88_9_6a_6a_22a_2a:C-Li-O-V, expected Li3VC3O11 to be Li2V(CO3)2" +mp-753598,Li2V(CO3)2,-7.67958004,-2.1305604895,0.0512640178,0.0512640178,GGA+U,P2_1/c,A2B2C6D_mP22_14_e_e_3e_a:C-Li-O-V,22.0,"Invalid WP multiplicities - A2B2C6D_mP22_14_e_e_9e_a:C-Li-O-V, expected Li2V(CO9)2 to be Li2V(CO3)2" +mp-766005,Li2V(CO3)2,-7.669538797299999,-2.1205192467,0.0613052605,0.0613052605,GGA+U,P2_1/c,A2B2C6D_mP22_14_e_e_3e_a:C-Li-O-V,44.0,A2B2C6D_mP22_14_e_e_3e_a:C-Li-O-V +mp-1567493,Li2V(CO3)2,-7.6810275886,-2.1320080381,0.0498164692,0.0498164692,GGA+U,P2_1/c,A2B2C6D_mP22_14_e_e_3e_a:C-Li-O-V,22.0,A2B2C6D_mP22_14_e_e_3e_a:C-Li-O-V +mp-759519,Li2V(CO3)2,-7.6622643009,-2.1132447504,0.0685797569,0.0685797569,GGA+U,Fdd2,A2B2C6D_oF176_43_2b_2b_6b_b:C-Li-O-V,44.0,"Invalid WP multiplicities - A2B2C6D_oF176_43_5b_4b_21b_b:C-Li-O-V, expected Li4VC5O21 to be Li2V(CO3)2" +mp-1571048,Li2V(CO3)2,-7.6479267564,-2.0989072058,0.0829173014,0.0829173014,GGA+U,Fdd2,A2B2C6D_oF88_43_b_b_3b_a:C-Li-O-V,44.0,"Invalid WP multiplicities - A2B2C6D_oF88_43_b_b_9b_a:C-Li-O-V, expected Li2V(CO9)2 to be Li2V(CO3)2" +mp-752552,Li2V(CO3)2,-7.6805902032,-2.1315706527,0.0502538546,0.0502538546,GGA+U,R-3,A2B2C6D_hR33_148_c_c_f_a:C-Li-O-V,44.0,A2B2C6D_hR33_148_c_c_f_a:C-Li-O-V +mp-1275144,VZn2WO6,-7.457488699,-2.0333231203,0.081253977,0.081253977,GGA+U,P2_1/c,A6BCD2_mP20_14_3e_a_d_e:O-V-W-Zn,20.0,A6BCD2_mP20_14_3e_a_d_e:O-V-W-Zn +mp-1047200,VZn2WO6,-7.4302459,-2.0060803212,0.108496776,0.108496776,GGA+U,R3,A6BCD2_hR30_146_2b_a_a_2a:O-V-W-Zn,10.0,"Invalid WP multiplicities - A6BCD2_hR30_146_3b_a_a_2a:O-V-W-Zn, expected VZn2WO9 to be VZn2WO6" +mp-2218001,MgVZn2WO6,-7.0403843636,-1.963844742,0.2492675869,0.2492675869,GGA+U,P1,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-V-W-Zn,11.0,AB6CDE2_aP11_1_a_6a_a_a_2a:Mg-O-V-W-Zn +mp-2217674,MgVZn2WO6,-7.0833396073,-2.0067999857,0.2063123433,0.2063123433,GGA+U,R3,AB6CDE2_hR33_146_a_2b_a_a_2a:Mg-O-V-W-Zn,11.0,"Invalid WP multiplicities - AB6CDE2_hR33_146_a_3b_a_a_2a:Mg-O-V-W-Zn, expected MgVZn2WO9 to be MgVZn2WO6" +mp-2218253,MgV(WO4)2,-8.6944074225,-2.3465777333,0.1024970104,0.1024970104,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-V-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-V-W +mp-2218106,MgV(WO4)2,-8.6828956142,-2.335065925,0.1140088188,0.1140088188,GGA+U,P1,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-V-W,12.0,AB8CD2_aP12_1_a_8a_a_2a:Mg-O-V-W +mp-1047149,Mg2VWO6,-8.109304293,-2.6170314263,0.0216256381,0.0216256381,GGA+U,P1,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-V-W,20.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-V-W +mp-1377834,Mg2VWO6,-8.0213491815,-2.5290763148,0.1095807496,0.1095807496,GGA+U,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:Mg-O-V-W,20.0,A2B6CD_mP20_14_e_3e_a_b:Mg-O-V-W +mp-1290864,Mg2VWO6,-8.109174056,-2.6169011893,0.0217558751,0.0217558751,GGA+U,R3,A2B6CD_hR30_146_2a_2b_a_a:Mg-O-V-W,20.0,A2B6CD_aP10_1_2a_6a_a_a:Mg-O-V-W +mp-2230567,MgV4(WO6)2,-8.8153278958,-2.3304631945,0.1382832288,0.1382832288,GGA+U,P-4,AB12C4D2_tP19_81_a_3h_2g_g:Mg-O-V-W,19.0,"Invalid WP multiplicities - AB12C4D2_tP19_81_a_7h_4g_g:Mg-O-V-W, expected MgV8(WO14)2 to be MgV4(WO6)2" +mp-1202316,Ca2MgV10(H8O11)4,-6.5917892304,-1.842664767,0.0111340979,0.0111340979,GGA+U,C2/m,A2B32CD44E10_mC178_12_i_8j_a_g7i7j_h2ij:Ca-H-Mg-O-V,89.0,A2B32CD44E10_mC178_12_i_8j_a_g7i7j_h2ij:Ca-H-Mg-O-V +mp-774676,CaV5H19O23,-6.4401217051,-1.7388557584000002,0.0296645724,0.0296645724,GGA+U,P-1,AB19C23D5_aP96_2_i_19i_23i_5i:Ca-H-O-V,96.0,AB19C23D5_aP96_2_i_19i_23i_5i:Ca-H-O-V +mp-6115,K2Zn2(SO4)3,-6.0532538155,-2.0264170129,0.0112149684,0.0112149684,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-S-Zn,76.0,"Invalid WP multiplicities - A2B12C3D2_cP76_198_5a_8b_b_2a:K-O-S-Zn, expected K5Zn2(SO8)3 to be K2Zn2(SO4)3" +mp-555652,K2Zn(SO4)2,-6.0659510575,-2.1177240631,0.0,-0.0234083684,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:K-O-S-Zn,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_7e_28e_5e_e:K-O-S-Zn, expected K7ZnS5O28 to be K2Zn(SO4)2" +mp-1211833,K2Zn(SO7)2,-5.1693091482,-0.9057784537,0.5431906421,0.5431906421,GGA,P2_1/c,A2B14C2D_mP38_14_e_7e_e_a:K-O-S-Zn,38.0,A2B14C2D_mP38_14_e_7e_e_a:K-O-S-Zn +mp-1232329,K2Zn2Cu(SO)2,-4.0303182611,-1.0296772678,0.397689539,0.397689539,GGA,I4/mmm,AB2C2D2E2_tI18_139_a_e_c_e_d:Cu-K-O-S-Zn,9.0,AB2C2D2E2_tI18_139_a_e_c_e_d:Cu-K-O-S-Zn +mp-1189398,KUSiO7,-7.794805673,-2.5494108764,0.2621828309,0.2621828309,GGA,P2_1,AB7CD_mP20_4_a_7a_a_a:K-O-Si-U,20.0,AB7CD_mP20_4_a_7a_a_a:K-O-Si-U +mp-1019746,K2Ca4Si8O21,-7.7904074554,-3.2896587529,0.0,-0.0041428551,GGA,P-1,A4B2C21D8_aP35_2_2i_i_a10i_4i:Ca-K-O-Si,35.0,A4B2C21D8_aP35_2_2i_i_a10i_4i:Ca-K-O-Si +mp-1224857,KCa2(SiO3)8,-7.0850303471,-2.3066111467,0.4586863746,0.4586863746,GGA,P2_1/m,A2BC24D8_mP70_11_ac_e_2e11f_4f:Ca-K-O-Si,70.0,"Invalid WP multiplicities - A2BC24D8_mP70_11_ad_e_2e29f_10f:Ca-K-O-Si, expected KCa2(SiO3)20 to be KCa2(SiO3)8" +mp-1195727,K4CaU(Si2O7)2,-7.6617192987,-3.1328226423,0.0,-0.0132126471,GGA,P-4n2,AB4C14D4E_tP48_118_a_fg_efh2i_i_b:Ca-K-O-Si-U,48.0,AB4C14D4E_tP48_118_a_fg_efh2i_i_b:Ca-K-O-Si-U +mp-1197427,K2CaSi4O15,-6.5867050248,-2.0354322719,0.3902981891,0.3902981891,GGA,P2_1/c,AB2C15D4_mP88_14_e_2e_15e_4e:Ca-K-O-Si,88.0,AB2C15D4_mP88_14_e_2e_15e_4e:Ca-K-O-Si +mp-1197582,K2Ca2Si8O23,-7.1057070117,-2.4368960902,0.4255546461,0.4255546461,GGA,C2,A2B2C23D8_mC70_5_c_c_a11c_4c:Ca-K-O-Si,35.0,A2B2C23D8_mC70_5_c_c_a11c_4c:Ca-K-O-Si +mp-16137,K4CaU3O12,-8.2626932355,-3.2786087238,0.0,-0.023062184,GGA,Im-3m,AB4C12D3_cI40_229_a_c_de_b:Ca-K-O-U,20.0,AB4C12D3_cI40_229_a_c_de_b:Ca-K-O-U +mp-1192578,K2Ca4U(SiO4)4,-7.8816863622,-3.3489864021,0.0028153213,0.0028153213,GGA,P-1,A4B2C16D4E_aP27_2_2i_i_8i_2i_a:Ca-K-O-Si-U,27.0,A4B2C16D4E_aP27_2_2i_i_8i_2i_a:Ca-K-O-Si-U +mp-558320,K3U3Si2O13,-8.6962326469,-3.3456128289,0.0,-0.0058769129,GGA,P-62c,A3B13C2D3_hP42_190_h_cghi_f_g:K-O-Si-U,42.0,"Invalid WP multiplicities - A3B13C2D3_hP42_190_h_c6g5h7i_f_g:K-O-Si-U, expected K3U3(SiO38)2 to be K3U3Si2O13" +mp-1202514,K4Ca(SiO3)3,-6.8804211958,-2.9249301276,0.0,-0.0208658821,GGA,Pa-3,AB4C9D3_cP272_205_2c_abc2d_6d_2d:Ca-K-O-Si,272.0,AB4C9D3_cP272_205_2c_abc2d_6d_2d:Ca-K-O-Si +mp-1194845,K2U(Si2O5)3,-8.2077130029,-3.1966943882,0.007451593,0.007451593,GGA,P-1,A2B15C6D_aP96_2_4i_30i_12i_2i:K-O-Si-U,96.0,A2B15C6D_aP96_2_4i_30i_12i_2i:K-O-Si-U +mp-1195515,K2U(Si2O5)3,-8.2080626244,-3.1970440097,0.0071019716,0.0071019716,GGA,C2/c,A2B15C6D_mC192_15_2f_15f_6f_f:K-O-Si-U,96.0,A2B15C6D_mC192_15_2f_15f_6f_f:K-O-Si-U +mp-560631,KUSi2O7,-8.6011860014,-3.3394345472,0.0,-0.0220328964,GGA,P4/mbm,AB7C2D_tP44_127_g_abfhl_k_e:K-O-Si-U,44.0,"Invalid WP multiplicities - AB7C2D_tP44_127_g_2a2b2f4h6l_k_e:K-O-Si-U, expected KU(SiO16)2 to be KUSi2O7" +mp-1019747,K2Ca3Si3O10,-7.3176000447,-3.2075756705,0.00494702,0.00494702,GGA,P-1,A3B2C10D3_aP36_2_3i_2i_10i_3i:Ca-K-O-Si,36.0,A3B2C10D3_aP36_2_3i_2i_10i_3i:Ca-K-O-Si +mp-1019745,K2Ca3Si3O10,-7.3079877864,-3.1979634121,0.0145592784,0.0145592784,GGA,C2/c,A3B2C10D3_mC72_15_ef_f_5f_ef:Ca-K-O-Si,36.0,A3B2C10D3_mC72_15_ef_f_5f_ef:Ca-K-O-Si +mp-1207067,S(NF3)2,-4.0522426389,-0.4657633587,1.1717599622,1.1717599622,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-N-S,9.0,A6B2C_hP9_164_i_d_a:F-N-S +mp-554289,AsS3(NF3)2,-5.1468084138,-1.3792807754,0.1827196501,0.1827196501,GGA,P-1,AB6C2D3_aP24_2_i_6i_2i_3i:As-F-N-S,24.0,"Invalid WP multiplicities - AB6C2D3_aP24_2_i_12i_2i_5i:As-F-N-S, expected AsS5(NF6)2 to be AsS3(NF3)2" +mp-560042,AsS3(NF3)2,-5.1588462619,-1.3913186235,0.1706818019,0.1706818019,GGA,P2_1/c,AB6C2D3_mP48_14_e_6e_2e_3e:As-F-N-S,48.0,"Invalid WP multiplicities - AB6C2D3_mP48_14_e_19e_6e_10e:As-F-N-S, expected AsS10N6F19 to be AsS3(NF3)2" +mp-541204,As2S3(NF6)2,-5.0044444029,-1.7761115676,0.1042861475,0.1042861475,GGA,C2,A2B12C2D3_mC76_5_abc_12c_2c_3c:As-F-N-S,38.0,A2B12C2D3_mC76_5_abc_12c_2c_3c:As-F-N-S +mp-1201063,AsS2XeN2F13,-4.3618758484,-1.4939595991,0.3305962559,0.3305962559,GGA,P2_1/c,AB13C2D2E_mP76_14_e_13e_2e_2e_e:As-F-N-S-Xe,76.0,AB13C2D2E_mP76_14_e_13e_2e_2e_e:As-F-N-S-Xe +mp-1203746,AsSXeNF10,-4.2301188909,-1.6384741022,0.2804432394,0.2804432394,GGA,C2/c,AB10CDE_mC112_15_f_10f_f_f_f:As-F-N-S-Xe,56.0,AB10CDE_mC112_15_f_10f_f_f_f:As-F-N-S-Xe +mp-554788,AsSXeNF10,-4.215126003,-1.6234812143,0.2954361272,0.2954361272,GGA,Pbca,AB10CDE_oP112_61_c_10c_c_c_c:As-F-N-S-Xe,112.0,"Invalid WP multiplicities - AB10CDE_oP112_61_c_73c_c_c_c:As-F-N-S-Xe, expected AsSXeNF73 to be AsSXeNF10" +mp-4937,SNF,-5.3716464125,-0.5768384927,0.2554561774,0.2554561774,GGA,P-42_1c,ABC_tP24_114_e_e_e:F-N-S,24.0,ABC_tP24_114_e_e_e:F-N-S +mp-554025,SNF,-5.3906346522,-0.5958267324000001,0.2364679377,0.2364679377,GGA,R-3,ABC_hR54_148_f_f_f:F-N-S,18.0,ABC_hR54_148_f_f_f:F-N-S +mp-558583,AsS6N5F6,-5.2990801767,-0.7085709525,0.3653636575,0.3653636575,GGA,C2/c,AB6C5D6_mC288_15_2f_12f_10f_12f:As-F-N-S,144.0,"Invalid WP multiplicities - AB6C5D6_mC288_15_6f_48f_39f_42f:As-F-N-S, expected As2S14N13F16 to be AsS6N5F6" +mp-556406,AsS2NF10,-4.8198695707,-1.9353479465,0.0354459992,0.0354459992,GGA,Pbca,AB10CD2_oP112_61_c_10c_c_2c:As-F-N-S,112.0,"Invalid WP multiplicities - AB10CD2_oP112_61_c_75c_c_9c:As-F-N-S, expected AsS9NF75 to be AsS2NF10" +mp-559296,AsS4N4F5,-5.4760846821,-0.8969209386,0.2681333128,0.2681333128,GGA,P2_1/m,AB5C4D4_mP28_11_e_e2f_2ef_2f:As-F-N-S,28.0,"Invalid WP multiplicities - AB5C4D4_mP28_11_e_e4f_3e2f_7f:As-F-N-S, expected AsS14N7F9 to be AsS4N4F5" +mp-558254,AsS4N4F5,-5.4761900402,-0.8970262966,0.2680279547,0.2680279547,GGA,P2_1/c,AB5C4D4_mP56_14_e_5e_4e_4e:As-F-N-S,56.0,"Invalid WP multiplicities - AB5C4D4_mP56_14_e_18e_10e_13e:As-F-N-S, expected AsS13(N5F9)2 to be AsS4N4F5" +mp-560180,AsS4N5F6,-5.5031849984,-0.8559183545,0.3522580817,0.3522580817,GGA,P2/c,AB6C5D4_mP64_13_ef_2e5g_5g_4g:As-F-N-S,64.0,"Invalid WP multiplicities - AB6C5D4_mP64_13_e2f_3e19g_17g_13g:As-F-N-S, expected As3S26N34F41 to be AsS4N5F6" +mp-1209117,SNF3,-4.7859340075,-1.1444576686,0.3536727377,0.3536727377,GGA,Pnma,A3BC_oP20_62_cd_c_c:F-N-S,20.0,A3BC_oP20_62_cd_c_c:F-N-S +mp-504830,S4N5F,-5.8332280195,0.1807472865,0.4304356875,0.4304356875,GGA,P-1,AB5C4_aP40_2_2i_10i_8i:F-N-S,40.0,AB5C4_aP40_2_2i_10i_8i:F-N-S +mp-8500,AsS2NF6,-4.982985439,-1.7092467521,0.1064719709,0.1064719709,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:As-F-N-S,10.0,"Invalid WP multiplicities - AB6CD2_mC20_12_a_i2j_d_i:As-F-N-S, expected AsS2NF10 to be AsS2NF6" +mp-1201290,TcSbH2(OF5)2,-5.3921860348,-2.2494823241,0.0,-0.0001204756,GGA,P2_1/c,A10B2C2DE_mP64_14_10e_2e_2e_e_e:F-H-O-Sb-Tc,64.0,A10B2C2DE_mP64_14_10e_2e_2e_e_e:F-H-O-Sb-Tc +mp-555059,TcSb(OF4)2,-5.7100724994,-2.4038350537,0.0,-0.0345254051,GGA,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:F-O-Sb-Tc,48.0,"Invalid WP multiplicities - A8B2CD_mP48_14_31e_6e_e_e:F-O-Sb-Tc, expected TcSbO6F31 to be TcSb(OF4)2" +mp-1211674,Li3PF6,-4.863255844,-2.6023613528,0.3771587593,0.3771587593,GGA,P-1,A6B3C_aP10_2_3i_bde_a:F-Li-P,10.0,A6B3C_aP10_2_3i_bde_a:F-Li-P +mp-1238766,Li3PF6,-4.903810276,-2.6429157848,0.3366043273,0.3366043273,GGA,P-1,A6B3C_aP10_2_3i_ach_b:F-Li-P,10.0,A6B3C_aP10_2_3i_ach_b:F-Li-P +mp-1211020,LiGa(PO3)4,-7.3942495026,-2.6192220887,0.0,-0.0130896372,GGA,Pbcn,ABC12D4_oP72_60_c_c_6d_2d:Ga-Li-O-P,72.0,ABC12D4_oP72_60_c_c_6d_2d:Ga-Li-O-P +mp-1106166,LiGaPO5,-6.538247265,-2.152776646,0.2982601314,0.2982601314,GGA,P-1,ABC5D_aP16_2_bc_i_5i_i:Ga-Li-O-P,16.0,ABC5D_aP16_2_bc_i_5i_i:Ga-Li-O-P +mp-1210856,LiGaPO5,-6.7014040894,-2.3159334704,0.1351033071,0.1351033071,GGA,P-1,ABC5D_aP16_2_ab_i_5i_i:Ga-Li-O-P,16.0,ABC5D_aP16_2_ab_i_5i_i:Ga-Li-O-P +mp-1222855,LiGa3P2O11F3,-6.1756758545,-2.0772844208,0.2879559685,0.2879559685,GGA,P2_1,A3B3CD11E2_mP40_4_3a_3a_a_11a_2a:F-Ga-Li-O-P,40.0,A3B3CD11E2_mP40_4_3a_3a_a_11a_2a:F-Ga-Li-O-P +mp-560058,Li9Ga3P8O29,-7.0225084899,-2.6750597849,0.0097122065,0.0097122065,GGA,P-3c1,A3B9C29D8_hP98_165_f_bdg_df4g_dg:Ga-Li-O-P,98.0,"Invalid WP multiplicities - A3B9C29D8_hP98_165_f_2b4d5g_4d6f37g_4d4g:Ga-Li-O-P, expected Li40Ga3(P4O31)8 to be Li9Ga3P8O29" +mp-1222599,Li4Ga4P4O17F3,-6.7091528663,-2.6082331607,0.056769375,0.056769375,GGA,P1,A3B4C4D17E4_aP32_1_3a_4a_4a_17a_4a:F-Ga-Li-O-P,32.0,A3B4C4D17E4_aP32_1_3a_4a_4a_17a_4a:F-Ga-Li-O-P +mp-9143,LiPF6,-5.3902763663,-3.041388969,0.0,-0.0583398313,GGA,R-3,A6BC_hR24_148_f_a_b:F-Li-P,8.0,A6BC_hR24_148_f_a_b:F-Li-P +mp-1210869,LiGaPO4F,-6.7110649169,-2.7049955158,0.0313289394,0.0313289394,GGA,P-1,ABCD4E_aP16_2_i_ab_i_4i_i:F-Ga-Li-O-P,16.0,ABCD4E_aP16_2_i_ab_i_4i_i:F-Ga-Li-O-P +mp-1193968,AgH3CN2,-5.6789889375,-0.1200761545,0.1712565606,0.1712565606,GGA,Pbcm,ABC3D2_oP28_57_d_d_de_2d:Ag-C-H-N,28.0,ABC3D2_oP28_57_d_d_de_2d:Ag-C-H-N +mp-690706,FeAg3H6(C3N4)2,-6.6116707165,0.0294958604,0.2692350833,0.2692350833,GGA,Cc,A3B6CD6E8_mC96_9_3a_6a_a_6a_8a:Ag-C-Fe-H-N,48.0,A3B6CD6E8_mC96_9_3a_6a_a_6a_8a:Ag-C-Fe-H-N +mp-568663,FeAg3(CN)6,-7.3713974931,0.2760182397,0.3153478444,0.3153478444,GGA,P-31m,A3B6CD6_hP16_162_f_k_b_k:Ag-C-Fe-N,16.0,A3B6CD6_hP16_162_f_k_b_k:Ag-C-Fe-N +mp-1234900,MgS8(O5F2)4,-5.8861360816,-1.8613391911,0.0845532624,0.0845532624,GGA,P1,A8BC20D8_aP37_1_8a_a_20a_8a:F-Mg-O-S,37.0,A8BC20D8_aP37_1_8a_a_20a_8a:F-Mg-O-S +mp-1233665,MgS8(O5F2)4,-5.8245788795,-1.7997819889,0.1461104646,0.1461104646,GGA,P2,A8BC20D8_mP37_3_4e_a_2b2c8e_4e:F-Mg-O-S,37.0,"Invalid WP multiplicities - A8BC20D8_mP37_3_5e_c_2a2b13e_5e:F-Mg-O-S, expected MgS10(O3F)10 to be MgS8(O5F2)4" +mp-1234712,MgS8(O5F2)4,-5.7923790673,-1.7675821768,0.1783102768,0.1783102768,GGA,P-4,A8BC20D8_tP37_81_2h_a_2g4h_2h:F-Mg-O-S,37.0,"Invalid WP multiplicities - A8BC20D8_tP37_81_4h_a_2g11h_4h:F-Mg-O-S, expected MgS16(O3F)16 to be MgS8(O5F2)4" +mp-555121,MgAs2S2(OF3)4,-5.3303744311,-2.3819973335,0.0516632442,0.0516632442,GGA,P2_1/c,A2B12CD4E2_mP84_14_2e_12e_e_4e_2e:As-F-Mg-O-S,84.0,"Invalid WP multiplicities - A2B12CD4E2_mP84_14_4e_46e_e_13e_4e:As-F-Mg-O-S, expected MgAs4S4O13F46 to be MgAs2S2(OF3)4" +mp-728030,K2Cr2AsHO10,-6.7349026892,-1.7945511644,0.0084570594,0.0084570594,GGA+U,P3_1,AB2CD2E10_hP48_144_a_2a_a_2a_10a:As-Cr-H-K-O,48.0,AB2CD2E10_hP48_144_a_2a_a_2a_10a:As-Cr-H-K-O +mp-728774,K2Cr2AsHO10,-6.7349249148,-1.79457339,0.0084348338,0.0084348338,GGA+U,P3_2,AB2CD2E10_hP48_145_a_2a_a_2a_10a:As-Cr-H-K-O,48.0,AB2CD2E10_hP48_145_a_2a_a_2a_10a:As-Cr-H-K-O +mp-1203089,K2Cr2AsHO10,-6.7292551562,-1.7889036315,0.0141045923,0.0141045923,GGA+U,P3_221,AB2CD2E10_hP48_154_a_c_b_ab_5c:As-Cr-H-K-O,48.0,AB2CD2E10_hP48_154_a_c_b_ab_5c:As-Cr-H-K-O +mp-1211915,K3Cr2(AsO4)3,-6.7863877324,-1.9876421558,0.0616026918,0.0616026918,GGA+U,Ia-3d,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-K-O,80.0,A3B2C3D12_cI160_230_d_a_c_h:As-Cr-K-O +mp-1202439,K2Cr2AsO10,-6.7564635344,-1.7129369777,0.0675790063,0.0675790063,GGA+U,P3_1,AB2C2D10_hP45_144_a_2a_2a_10a:As-Cr-K-O,45.0,AB2C2D10_hP45_144_a_2a_2a_10a:As-Cr-K-O +mp-1181132,K3NaCe(CO5)3,-6.225995603,-1.3358591493,0.5135035246,0.5135035246,GGA,P-1,A3BC3DE15_aP46_2_3i_i_3i_i_15i:C-Ce-K-Na-O,46.0,A3BC3DE15_aP46_2_3i_i_3i_i_15i:C-Ce-K-Na-O +mp-727535,NaCeC4O11,-7.2175577187,-1.4185075868,0.7392925419,0.7392925419,GGA,P2/c,A4BCD11_mP68_13_2e3g_g_g_11g:C-Ce-Na-O,68.0,A4BCD11_mP68_13_2e3g_g_g_11g:C-Ce-Na-O +mp-1210295,NaCe(CO3)2,-8.0430322955,-2.5037245254,0.0,-0.0380464545,GGA,Pmc2_1,A2BCD6_oP20_26_ab_a_b_ab2c:C-Ce-Na-O,20.0,A2BCD6_oP20_26_ab_a_b_ab2c:C-Ce-Na-O +mp-1200025,CaBePO5,-7.3808690341,-2.8943991831,0.1126470954,0.1126470954,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Be-Ca-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Be-Ca-O-P +mp-707838,Ca3Be2P4(HO2)10,-6.7368537879,-2.4289084015,0.0112431735,0.0112431735,GGA,P-1,A2B3C10D20E4_aP39_2_i_ai_5i_10i_2i:Be-Ca-H-O-P,39.0,A2B3C10D20E4_aP39_2_i_ai_5i_10i_2i:Be-Ca-H-O-P +mp-707876,Ca3Be2P4(HO2)10,-6.7369751888,-2.4290298024,0.0111217726,0.0111217726,GGA,P2_1/c,A2B3C10D20E4_mP78_14_e_ae_5e_10e_2e:Be-Ca-H-O-P,78.0,"Invalid WP multiplicities - A2B3C10D20E4_mP78_14_e_2a2e_17e_37e_5e:Be-Ca-H-O-P, expected Ca3BeP5H17O37 to be Ca3Be2P4(HO2)10" +mp-6772,CaBe2(PO4)2,-7.7267683215,-3.1202652205,0.0,-0.0812394036,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Be-Ca-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_3e_e_8e_2e:Be-Ca-O-P, expected CaBe3(PO4)2 to be CaBe2(PO4)2" +mp-1182571,Ca2Be4P3O20,-6.5900879079,-1.9644833229,0.4778201941,0.4778201941,GGA,P2_1/c,A4B2C20D3_mP116_14_4e_2e_20e_3e:Be-Ca-O-P,116.0,A4B2C20D3_mP116_14_4e_2e_20e_3e:Be-Ca-O-P +mp-1017548,Ca(BeP)2,-4.791342552,-0.7291364273000001,0.0,-0.1768302931,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Be-Ca-P,5.0,A2BC2_hP5_164_d_a_d:Be-Ca-P +mp-1190520,CdGe4C8(S5N)2,-5.2696042608,0.7816682847,1.1885220712,1.1885220712,GGA,I-4,A8BC4D2E10_tI50_82_2g_a_g_bc_f2g:C-Cd-Ge-N-S,25.0,A8BC4D2E10_tI50_82_2g_a_g_bc_f2g:C-Cd-Ge-N-S +mp-1192195,CdGe4C8(S5N)2,-4.8659626848,1.1853098607,1.5921636472,1.5921636472,GGA,I-4,A8BC4D2E10_tI50_82_2g_a_g_bc_f2g:C-Cd-Ge-N-S,25.0,A8BC4D2E10_tI50_82_2g_a_g_bc_f2g:C-Cd-Ge-N-S +mp-1247304,CdGe7N10,-6.5800445889,-0.0995427003,0.1252956826,0.1252956826,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Cd-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Cd-Ge-N +mp-1246220,Cd5(GeN3)2,-4.6992663835,0.2145393135,0.303486366,0.303486366,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Cd-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Cd-Ge-N +mp-1245535,CdGeN2,-5.6963933831,-0.1416665169,0.0028724435,0.0028724435,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Cd-Ge-N,16.0,ABC2_oP16_33_a_a_2a:Cd-Ge-N +mp-1245521,CdGeN2,-5.6323397316,-0.0776128653,0.0669260951,0.0669260951,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Cd-Ge-N,64.0,ABC2_oP64_61_2c_2c_4c:Cd-Ge-N +mp-1245527,CdGeN2,-5.6875399475,-0.1328130813,0.0117258792,0.0117258792,GGA,I-42d,ABC2_tI16_122_a_b_d:Cd-Ge-N,8.0,ABC2_tI16_122_a_b_d:Cd-Ge-N +mp-1245377,Cd7GeN6,-4.0259137796,0.338530915,0.3798277608,0.3798277608,GGA,Cmcm,A7BC6_oC56_63_cfh_c_efg:Cd-Ge-N,28.0,A7BC6_oC56_63_cfh_c_efg:Cd-Ge-N +mp-560128,EuHSO5,-7.5827788303,-2.2678261718,0.0,-0.050142401,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Eu-H-O-S,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_17e_e:Eu-H-O-S, expected EuHSO17 to be EuHSO5" +mp-1203361,Eu2H16S3O20,-6.2703786039,-1.730360454,0.0,-0.0092732247,GGA,C2/c,A2B16C20D3_mC164_15_f_8f_10f_ef:Eu-H-O-S,82.0,A2B16C20D3_mC164_15_f_8f_10f_ef:Eu-H-O-S +mp-1194919,Eu2CuH4(SO6)2,-7.0666008855,-2.0276828512,0.0,-0.0268141375,GGA,P2_1/c,AB2C4D12E2_mP42_14_a_e_2e_6e_e:Cu-Eu-H-O-S,42.0,AB2C4D12E2_mP42_14_a_e_2e_6e_e:Cu-Eu-H-O-S +mp-767408,Na2PRuCO7,-7.169641605,-2.0706214296,0.0593866685,0.0593866685,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Ru,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Ru, expected Na2PRuCO13 to be Na2PRuCO7" +mp-20863,Sb2Pt2O7,-6.2479838323,-1.245521096,0.1469788434,0.1469788434,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Sb,22.0,A7B2C2_cF88_227_af_d_c:O-Pt-Sb +mp-559420,Sb4PtC4(O2F11)2,-5.6665242621,-2.1996359084,0.1064407824,0.1064407824,GGA,P2_1/c,A4B22C4DE4_mP140_14_4e_22e_4e_e_4e:C-F-O-Pt-Sb,140.0,"Invalid WP multiplicities - A4B22C4DE4_mP140_14_14e_84e_13e_e_15e:C-F-O-Pt-Sb, expected Sb15PtC14O13F84 to be Sb4PtC4(O2F11)2" +mp-6392,NaBePO4,-7.1884943475,-2.8653521318,0.0,-0.0916788057,GGA,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:Be-Na-O-P,84.0,ABC4D_mP84_14_3e_3e_12e_3e:Be-Na-O-P +mp-1211231,Na3Be3B3P6O25,-7.4557029214,-2.6714273561,0.0773541731,0.0773541731,GGA,P4_132,A3B3C3D25E6_cP160_213_d_d_ac_b4e_e:B-Be-Na-O-P,160.0,"Invalid WP multiplicities - A3B3C3D25E6_cP160_213_d_d_ac_b8e_e:B-Be-Na-O-P, expected Na3Be3B3P6O49 to be Na3Be3B3P6O25" +mp-1212019,K2Mg(SO6)2,-5.5010588721,-1.2978681537,0.5056301865,0.5056301865,GGA,C2/m,A2BC12D2_mC68_12_j_ad_g5i3j_2i:K-Mg-O-S,34.0,A2BC12D2_mC68_12_j_ac_g5i3j_2i:K-Mg-O-S +mp-558777,KNd(SO4)2,-7.0262800554,-2.5492004051,0.0026897144,-0.0277806957,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:K-Nd-O-S,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_14i_4i:K-Nd-O-S, expected KNd(S2O7)2 to be KNd(SO4)2" +mp-14665,KNd(SO4)2,-7.0289697698,-2.5518901195,0.0,-0.0304704101,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:K-Nd-O-S,48.0,ABC8D2_mP48_14_e_e_8e_2e:K-Nd-O-S +mp-1233172,K2Nd2Mg(SO4)4,-6.700290166,-2.3382824997,0.2475516989,0.2475516989,GGA,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S +mp-1233195,K2Nd2Mg(SO4)4,-6.7034621152,-2.3414544489,0.2443797497,0.2443797497,GGA,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S +mp-1233313,K2Nd2Mg(SO4)4,-6.6928140708,-2.3308064045,0.2550277941,0.2550277941,GGA,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S +mp-1233514,K2Nd2Mg(SO4)4,-6.7206478096,-2.3586401433,0.2271940553,0.2271940553,GGA,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S +mp-1234139,K2Nd2Mg(SO4)4,-6.7124952884,-2.3504876221,0.2353465765,0.2353465765,GGA,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:K-Mg-Nd-O-S +mp-6299,K2Mg2(SO4)3,-6.4505068883,-2.3878241446,0.0,-0.0273590424,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:K-Mg-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_2a_3a_8b_b:K-Mg-O-S, expected K2Mg3(SO8)3 to be K2Mg2(SO4)3" +mp-558500,K2Ag2GeS4,-4.1221435828,-0.8938394469000001,0.0,-0.0273534311,GGA,Fddd,A2BC2D4_oF72_70_e_a_e_h:Ag-Ge-K-S,18.0,A2BC2D4_oF72_70_e_a_e_h:Ag-Ge-K-S +mp-1019775,K2Ge(S2O7)3,-6.401083395,-1.8829837988,0.0,-0.0303379199,GGA,P-3,AB2C21D6_hP60_147_c_2d_7g_2g:Ge-K-O-S,60.0,AB2C21D6_hP60_147_c_2d_7g_2g:Ge-K-O-S +mp-1196546,Ag2Ge(S2O7)3,-6.2346299191,-1.6017198524,0.0,-0.0356922718,GGA,P-3,A2BC21D6_hP180_147_2g_c2d_21g_6g:Ag-Ge-O-S,180.0,A2BC21D6_hP180_147_2g_c2d_21g_6g:Ag-Ge-O-S +mp-1201842,K5Ag(S2O3)3,-5.4106621182,-1.7095455306,0.1147837683,0.1147837683,GGA,P2_1/c,AB5C9D6_mP84_14_e_5e_9e_6e:Ag-K-O-S,84.0,AB5C9D6_mP84_14_e_5e_9e_6e:Ag-K-O-S +mp-558786,Ag6GeSO8,-5.1713279684,-1.0883077539,0.0,-0.0247608089,GGA,I4_1/amd,A6BC8D_tI64_141_ef_a_2h_b:Ag-Ge-O-S,32.0,"Invalid WP multiplicities - A6BC8D_tI64_141_3e3f_a_13h_b:Ag-Ge-O-S, expected Ag18GeSO52 to be Ag6GeSO8" +mp-554506,K3In3(PO4)4,-6.8748049376,-2.5522481131,0.0,-0.0078450788,GGA,P2_1/c,A3B3C16D4_mP104_14_3e_3e_16e_4e:In-K-O-P,104.0,"Invalid WP multiplicities - A3B3C16D4_mP104_14_10e_8e_62e_15e:In-K-O-P, expected K8In10P15O62 to be K3In3(PO4)4" +mp-1224542,K3In(PO4)2,-6.6066509732,-2.5721513108,0.0,-0.0241533933,GGA,P1,AB3C8D2_aP56_1_4a_12a_32a_8a:In-K-O-P,56.0,AB3C8D2_aP56_1_4a_12a_32a_8a:In-K-O-P +mp-1224392,K3In(PO4)2,-6.6055684975,-2.571068835,0.0010824757,-0.0230709176,GGA,C2/c,AB3C8D2_mC112_15_f_2e2f_8f_2f:In-K-O-P,56.0,AB3C8D2_mC112_15_f_2e2f_8f_2f:In-K-O-P +mp-17966,KInP2O7,-7.0986736845,-2.6154456237,0.0,-0.0428371277,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:In-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:In-K-O-P +mp-1196864,KIn(PO4)2,-6.7853883177,-2.263538536,0.1339532857,0.1339532857,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:In-K-O-P,48.0,ABC8D2_mP48_14_e_e_8e_2e:In-K-O-P +mp-695298,K22Nb13In11(PO5)24,-7.5240291438,-2.7369966759,0.0,-0.0186521438,GGA,P1,A11B22C13D120E24_aP190_1_11a_22a_13a_120a_24a:In-K-Nb-O-P,190.0,A11B22C13D120E24_aP190_1_11a_22a_13a_120a_24a:In-K-Nb-O-P +mp-542871,RbP2WO8,-7.9191168846,-2.5575519674,0.0,-0.0043231159,GGA+U,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-W,48.0,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-W +mp-554622,Rb3P(W3O10)4,-8.6973961319,-2.2381101331,0.0140796658,0.0140796658,GGA+U,Pn-3m,A40BC3D12_cP112_224_e3k_a_d_k:O-P-Rb-W,112.0,"Invalid WP multiplicities - A40BC3D12_cP112_224_8e51k_a_d_k:O-P-Rb-W, expected Rb3P(W3O161)4 to be Rb3P(W3O10)4" +mp-1196931,Rb2BiPWO8,-7.261527554,-2.3579506539,0.0,-0.028213802,GGA+U,Ibca,AB8CD2E_oI104_73_c_4f_c_f_d:Bi-O-P-Rb-W,52.0,AB8CD2E_oI104_73_c_4f_c_f_d:Bi-O-P-Rb-W +mp-1209356,RbP4(WO4)8,-8.6659061673,-2.341621174,0.035836902,0.035836902,GGA+U,C2/m,A32B4CD8_mC90_12_f5i5j_j_a_2j:O-P-Rb-W,45.0,A32B4CD8_mC90_12_e5i5j_j_a_2j:O-P-Rb-W +mp-9712,Ba3BPO3,-6.5823813769,-2.496170723,0.0,-0.0225867981,GGA,P6_3/mmc,AB3C3D_hP16_194_c_bf_h_a:B-Ba-O-P,16.0,"Invalid WP multiplicities - AB3C3D_hP16_194_c_b2f_h_a:B-Ba-O-P, expected Ba5BPO3 to be Ba3BPO3" +mp-1214745,Ba2B(PO4)2,-7.5878939308,-2.9019357497,0.2226033529,0.2226033529,GGA,I-42d,AB2C8D2_tI52_122_a_d_2e_d:B-Ba-O-P,26.0,AB2C8D2_tI52_122_a_d_2e_d:B-Ba-O-P +mp-1019525,Ba3ZnB5PO14,-7.8131455535,-3.0181217307,0.0,-0.0128196877,GGA,Pmn2_1,A5B3C14DE_oP48_31_a2b_ab_4a5b_a_a:B-Ba-O-P-Zn,48.0,A5B3C14DE_oP48_31_a2b_ab_4a5b_a_a:B-Ba-O-P-Zn +mp-6578,Ba3B(PO4)3,-7.8108788275,-3.1773794251,0.0021433126,0.0021433126,GGA,Ibca,AB3C12D3_oI152_73_d_cf_6f_cf:B-Ba-O-P,76.0,"Invalid WP multiplicities - AB3C12D3_oI152_73_d_cf_10f_cf:B-Ba-O-P, expected Ba3BP3O20 to be Ba3B(PO4)3" +mp-554479,Ba3BPO7,-7.5844851346,-3.2114484616,0.0180786835,0.0180786835,GGA,P6_3mc,AB3C7D_hP24_186_b_a2b_a2c_a:B-Ba-O-P,24.0,"Invalid WP multiplicities - AB3C7D_hP24_186_b_2a3b_2a8c_a:B-Ba-O-P, expected Ba5BPO26 to be Ba3BPO7" +mp-15840,BaBPO5,-7.9610720521,-3.1179329554,7.087e-07,-0.0134575599,GGA,P3_121,ABC5D_hP24_152_a_a_b2c_b:B-Ba-O-P,24.0,"Invalid WP multiplicities - ABC5D_hP24_152_a_a_b3c_b:B-Ba-O-P, expected BaBPO7 to be BaBPO5" +mp-6040,BaBPO5,-7.9610727608,-3.1179336641,0.0,-0.0134582686,GGA,P3_221,ABC5D_hP24_154_a_a_b2c_b:B-Ba-O-P,24.0,"Invalid WP multiplicities - ABC5D_hP24_154_a_a_b3c_b:B-Ba-O-P, expected BaBPO7 to be BaBPO5" +mp-1214650,Ba2YCu3SO6,-6.3387877677,-1.9988936802,0.3414952641,0.3414952641,GGA,Pmmm,A2B3C6DE_oP13_47_k_cj_ijl_a_f:Ba-Cu-O-S-Y,13.0,A2B3C6DE_oP13_47_k_cj_ijl_a_f:Ba-Cu-O-S-Y +mp-1208179,TiH6(OF3)2,-5.54919519,-2.2415885557,0.0194734868,0.0194734868,GGA,P321,A6B6C2D_hP15_150_g_g_d_a:F-H-O-Ti,15.0,A6B6C2D_hP15_150_g_g_d_a:F-H-O-Ti +mp-720741,TiH14(OF)6,-4.5810080672,-1.0053538924,0.8312300748,0.8312300748,GGA,P2_1/c,A6B14C6D_mP54_14_3e_7e_3e_a:F-H-O-Ti,54.0,A6B14C6D_mP54_14_3e_7e_3e_a:F-H-O-Ti +mp-726110,Li2Ti(OF3)2,-5.4509142427,-2.4440425175,0.4454643461,0.4454643461,GGA,C2/m,A6B2C2D_mC22_12_ij_f_i_a:F-Li-O-Ti,11.0,A6B2C2D_mC22_12_ij_e_i_a:F-Li-O-Ti +mp-755613,LiTiO4F3,-6.1056695983,-2.1806021949,0.1689552635,0.1689552635,GGA,Cmcm,A3BC4D_oC36_63_cf_c_2g_c:F-Li-O-Ti,18.0,"Invalid WP multiplicities - A3BC4D_oC36_63_2cf_c_3g_c:F-Li-O-Ti, expected LiTi(O3F2)2 to be LiTiO4F3" +mp-1235241,LiTiH6(OF3)2,-5.42298051,-2.2027916112,0.0997089667,0.0997089667,GGA,C2,A6B6CD2E_mC32_5_3c_3c_a_c_b:F-H-Li-O-Ti,16.0,"Invalid WP multiplicities - A6B6CD2E_mC32_5_5c_5c_a_c_b:F-H-Li-O-Ti, expected LiTiH10(OF5)2 to be LiTiH6(OF3)2" +mp-1236521,LiTiH6(OF3)2,-5.3836140844,-2.1634251856,0.1390753923,0.1390753923,GGA,C2,A6B6CD2E_mC32_5_3c_3c_a_c_a:F-H-Li-O-Ti,16.0,"Invalid WP multiplicities - A6B6CD2E_mC32_5_4c_4c_a_c_a:F-H-Li-O-Ti, expected LiTiH8(OF4)2 to be LiTiH6(OF3)2" +mp-1235410,LiTiH6(OF3)2,-5.42422244,-2.2040335412,0.0984670367,0.0984670367,GGA,P3,A6B6CD2E_hP16_143_2d_2d_a_ab_c:F-H-Li-O-Ti,16.0,"Invalid WP multiplicities - A6B6CD2E_hP16_143_4d_4d_a_ab_c:F-H-Li-O-Ti, expected LiTiH12(OF6)2 to be LiTiH6(OF3)2" +mp-1235748,LiTiH6(OF3)2,-5.4279219406,-2.2077330418,0.0947675361,0.0947675361,GGA,P321,A6B6CD2E_hP16_150_g_g_a_d_b:F-H-Li-O-Ti,16.0,A6B6CD2E_hP16_150_g_g_a_d_b:F-H-Li-O-Ti +mp-1217384,TiH8(OF2)3,-5.5219734026000005,-2.1138489407,0.0,-0.0209478719,GGA,Pna2_1,A6B8C3D_oP72_33_6a_8a_3a_a:F-H-O-Ti,72.0,"Invalid WP multiplicities - A6B8C3D_oP72_33_11a_23a_8a_a:F-H-O-Ti, expected TiH23O8F11 to be TiH8(OF2)3" +mp-542533,CsNaB4H12O13,-6.2138514905,-1.8927172797,0.0086628579,0.0086628579,GGA,P2_1/c,A4BC12DE13_mP124_14_4e_e_12e_e_13e:B-Cs-H-Na-O,124.0,A4BC12DE13_mP124_14_4e_e_12e_e_13e:B-Cs-H-Na-O +mp-707883,CsB6H8O7,-6.0334229547,-1.3634055758,0.2804452338,0.2804452338,GGA,P2_1/c,A6BC8D7_mP88_14_6e_e_8e_7e:B-Cs-H-O,88.0,A6BC8D7_mP88_14_6e_e_8e_7e:B-Cs-H-O +mp-863006,CsB2H5O6,-6.3180886643,-1.9682352067,0.0,-0.0026580156,GGA,P2_1/c,A2BC5D6_mP112_14_4e_2e_10e_12e:B-Cs-H-O,112.0,A2BC5D6_mP112_14_4e_2e_10e_12e:B-Cs-H-O +mp-23742,CsB5(H2O3)4,-6.7743343283,-2.1283945544,0.0,-0.007821276,GGA,P2_1/c,A5BC8D12_mP104_14_5e_e_8e_12e:B-Cs-H-O,104.0,A5BC8D12_mP104_14_5e_e_8e_12e:B-Cs-H-O +mp-1203003,CsB5(H2O3)4,-6.7731061944,-2.1271664205,0.0012281338,-0.0065931421,GGA,C2/c,A5BC8D12_mC104_15_e2f_e_4f_6f:B-Cs-H-O,52.0,A5BC8D12_mC104_15_e2f_e_4f_6f:B-Cs-H-O +mp-1226923,CsNaB10(H2O9)2,-7.6073668554,-2.5596272567,0.0007185973,0.0007185973,GGA,Pc,A10BC4DE18_mP68_7_10a_a_4a_a_18a:B-Cs-H-Na-O,68.0,"Invalid WP multiplicities - A10BC4DE18_mP68_7_14a_a_6a_a_27a:B-Cs-H-Na-O, expected CsNaB14(H2O9)3 to be CsNaB10(H2O9)2" +mp-683600,K3Cr4PO16,-7.2317685775,-1.9607807188,0.0266197065,0.0266197065,GGA+U,Cc,A4B3C16D_mC96_9_4a_3a_16a_a:Cr-K-O-P,48.0,"Invalid WP multiplicities - A4B3C16D_mC96_9_8a_3a_32a_a:Cr-K-O-P, expected K3Cr8PO32 to be K3Cr4PO16" +mp-1192170,BaCr2(P2O7)2,-8.137414739,-2.7977994122,0.0,-0.0288906139,GGA+U,P-1,AB2C14D4_aP21_2_a_i_7i_2i:Ba-Cr-O-P,21.0,AB2C14D4_aP21_2_a_i_7i_2i:Ba-Cr-O-P +mp-1194334,BaCr2PO11,-7.2064505543,-1.8029873403,0.2294101912,0.2294101912,GGA+U,P-1,AB2C11D_aP30_2_i_2i_11i_i:Ba-Cr-O-P,30.0,AB2C11D_aP30_2_i_2i_11i_i:Ba-Cr-O-P +mp-1182527,BaCr2PO13,-6.6373848153,-1.2876597781,0.5056321615,0.5056321615,GGA+U,P-1,AB2C13D_aP34_2_i_2i_13i_i:Ba-Cr-O-P,34.0,AB2C13D_aP34_2_i_2i_13i_i:Ba-Cr-O-P +mp-19110,BaCrP2O7,-8.0753074805,-2.8911758075,0.0,-0.0166907911,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cr-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cr-O-P +mp-18387,KCrP2O7,-7.7983774423,-2.6877526778,0.0,-0.04778964,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cr-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Cr-K-O-P +mp-1212179,K2Cr2(PO4)3,-7.689809092,-2.5778583083,0.0282111765,0.0282111765,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Cr-K-O-P,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Cr-K-O-P +mp-720941,KBaCr2(PO4)3,-7.9378800767,-2.7833726619,0.0200191182,0.0175425313,GGA+U,P2_1,AB2CD12E3_mP152_4_4a_8a_4a_48a_12a:Ba-Cr-K-O-P,152.0,"Invalid WP multiplicities - AB2CD12E3_mP152_4_7a_15a_7a_95a_24a:Ba-Cr-K-O-P, expected K7Ba7Cr15P24O95 to be KBaCr2(PO4)3" +mp-1223640,KBaCr2(PO4)3,-7.9578991949,-2.80339178,0.0,-0.0024765868,GGA+U,P2_13,AB2CD12E3_cP76_198_a_2a_a_4b_b:Ba-Cr-K-O-P,76.0,AB2CD12E3_cP76_198_a_2a_a_4b_b:Ba-Cr-K-O-P +mp-572487,CsUV3O11,-8.5558892106,-2.6901325596,0.0082588466,0.0082588466,GGA+U,P2_1/c,AB11CD3_mP64_14_e_11e_e_3e:Cs-O-U-V,64.0,"Invalid WP multiplicities - AB11CD3_mP64_14_e_40e_e_10e:Cs-O-U-V, expected CsUV10O40 to be CsUV3O11" +mp-572715,Cs4U2V2O13,-8.0815567279,-2.9082617329,0.0,-0.0336274161,GGA+U,Pmmn,A4B13C2D2_oP42_59_abe_aef2g_c_f:Cs-O-U-V,42.0,"Invalid WP multiplicities - A4B13C2D2_oP42_59_2ab2e_2a4e3f11g_c_f:Cs-O-U-V, expected Cs7U2V2O60 to be Cs4U2V2O13" +mp-581156,Cs7U8V2ClO32,-8.6984069725,-3.2002172876,0.0008926002,0.0008926002,GGA+U,Pmmn,AB7C32D8E2_oP100_59_a_beg_4e2f5g_efg_e:Cl-Cs-O-U-V,100.0,"Invalid WP multiplicities - AB7C32D8E2_oP100_59_a_2b3e4g_16e7f37g_2e3f4g_e:Cl-Cs-O-U-V, expected Cs24U26V2ClO194 to be Cs7U8V2ClO32" +mp-562513,CsUVO6,-8.6735601772,-3.0123545417,0.0,-0.0563393058,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Cs-O-U-V,36.0,AB6CD_mP36_14_e_6e_e_e:Cs-O-U-V +mp-1182780,CsUVO6,-8.6164743631,-2.9552687275,0.0570858142,0.0007465084,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Cs-O-U-V,36.0,AB6CD_mP36_14_e_6e_e_e:Cs-O-U-V +mp-1229196,CoNiP4(H8O5)4,-5.4389168767000005,-1.2657673566,0.0907098506,0.0907098506,GGA+U,I-4c2,AB32CD20E4_tI232_120_a_8i_d_fg4i_i:Co-H-Ni-O-P,116.0,"Invalid WP multiplicities - AB32CD20E4_tI232_120_a_20i_d_2fg10i_i:Co-H-Ni-O-P, expected CoNiP4(H40O23)2 to be CoNiP4(H8O5)4" +mp-1202481,Fe3H28(S2O15)2,-5.8665491423,-1.4765052393,0.0051362314,0.0051362314,GGA+U,P-1,A3B28C30D4_aP65_2_ai_14i_15i_2i:Fe-H-O-S,65.0,A3B28C30D4_aP65_2_ai_14i_15i_2i:Fe-H-O-S +mp-696936,Fe3H4(S2O9)2,-6.6992439371,-1.7141693136,0.0147187778,0.0147187778,GGA+U,P2_1/c,A3B4C18D4_mP58_14_ae_2e_9e_2e:Fe-H-O-S,58.0,A3B4C18D4_mP58_14_ae_2e_9e_2e:Fe-H-O-S +mp-1198559,FeH14SO11,-5.5776639226,-1.3362486807,0.0797480491,0.0797480491,GGA+U,P2_1/c,AB14C11D_mP108_14_ad_14e_11e_e:Fe-H-O-S,108.0,AB14C11D_mP108_14_ad_14e_11e_e:Fe-H-O-S +mp-1195843,FeH8SO8,-5.8684751872,-1.4617091246,0.0212589599,0.0212589599,GGA+U,P2_1/c,AB8C8D_mP72_14_e_8e_8e_e:Fe-H-O-S,72.0,AB8C8D_mP72_14_e_8e_8e_e:Fe-H-O-S +mp-643564,FeH2SO5,-6.5867006733,-1.6838821485,0.0,-0.0171198992,GGA+U,C2/c,AB2C5D_mC36_15_c_f_e2f_e:Fe-H-O-S,36.0,AB2C5D_mC36_15_c_f_e2f_e:Fe-H-O-S +mp-772432,FeH4(SO5)2,-6.2153483759,-1.5223653032,0.0591057147,0.0591057147,GGA+U,P-1,AB4C10D2_aP34_2_i_4i_10i_2i:Fe-H-O-S,34.0,"Invalid WP multiplicities - AB4C10D2_aP34_2_i_7i_19i_3i:Fe-H-O-S, expected FeH7S3O19 to be FeH4(SO5)2" +mp-770576,FeH12(SO7)2,-5.8042280205,-1.4349426605,0.0250622476,0.0250622476,GGA+U,P2_1/c,AB12C14D2_mP58_14_a_6e_7e_e:Fe-H-O-S,58.0,"Invalid WP multiplicities - AB12C14D2_mP58_14_a_21e_25e_e:Fe-H-O-S, expected FeH42(SO25)2 to be FeH12(SO7)2" +mp-1213353,FeH4SO4,-5.5066300157,-0.9102170056,0.5038978738000001,0.5038978738000001,GGA+U,P2_1/c,AB4C4D_mP40_14_e_4e_4e_e:Fe-H-O-S,40.0,AB4C4D_mP40_14_e_4e_4e_e:Fe-H-O-S +mp-744930,FeH6SO6,-5.8806982975,-1.4062011822,0.0521764719,0.0521764719,GGA+U,P2_1/c,AB6C6D_mP56_14_e_6e_6e_e:Fe-H-O-S,56.0,AB6C6D_mP56_14_e_6e_6e_e:Fe-H-O-S +mp-1224975,Fe3H9S2O15,-6.3170073962,-1.5439788294,0.0148533163,0.0148533163,GGA+U,P1,A3B9C15D2_aP29_1_3a_9a_15a_2a:Fe-H-O-S,29.0,A3B9C15D2_aP29_1_3a_9a_15a_2a:Fe-H-O-S +mp-1224911,Fe3H9S2O15,-6.3109731741,-1.5379446073,0.0208875384,0.0208875384,GGA+U,R3m,A3B9C15D2_hR87_160_b_3b_3a4b_2a:Fe-H-O-S,29.0,A3B9C15D2_hR87_160_b_3b_3a4b_2a:Fe-H-O-S +mp-1225460,FeH9(SO6)2,-5.9664450777,-1.5232067492,0.0001120876,0.0001120876,GGA+U,Pnma,AB9C12D2_oP96_62_a_c4d_2c5d_d:Fe-H-O-S,96.0,AB9C12D2_oP96_62_a_c4d_2c5d_d:Fe-H-O-S +mp-1199115,Fe2H6(SO5)3,-6.4075467157,-1.6419282942,0.0,-0.000865166,GGA+U,P2_1/c,A2B6C15D3_mP104_14_2e_6e_15e_3e:Fe-H-O-S,104.0,A2B6C15D3_mP104_14_2e_6e_15e_3e:Fe-H-O-S +mp-1196332,Fe2H10S2O11,-5.9700609021,-1.427909765,0.0516267251,0.0516267251,GGA+U,P4_12_12,A2B10C11D2_tP100_92_b_5b_a5b_b:Fe-H-O-S,100.0,A2B10C11D2_tP100_92_b_5b_a5b_b:Fe-H-O-S +mp-1213176,FeH7SO8,-5.9497454824,-1.4833300069,0.003233387,0.003233387,GGA+U,P-1,AB7C8D_aP68_2_2i_14i_16i_2i:Fe-H-O-S,68.0,AB7C8D_aP68_2_2i_14i_16i_2i:Fe-H-O-S +mp-1208266,Tl2Fe2(SO4)3,-6.4895256239,-1.5718970529,0.2193310533,0.2193310533,GGA+U,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Fe-O-S-Tl,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:Fe-O-S-Tl +mp-1198334,Tl2FeH12(SO7)2,-5.7286323126,-1.4888077405,0.0,-0.0013984729,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Fe-H-O-S-Tl,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Fe-H-O-S-Tl +mp-1208045,TlFe(SO4)2,-6.6833207858,-1.7933979708,0.0,-0.0078524374,GGA+U,P321,AB8C2D_hP12_150_a_dg_d_b:Fe-O-S-Tl,48.0,AB8C2D_hP12_150_a_dg_d_b:Fe-O-S-Tl +mp-1213107,ErAlB4,-6.3399528104,-0.5014758565,0.0,-0.0132853796,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Er,24.0,AB4C_oP24_55_g_4h_g:Al-B-Er +mp-979428,YEr4Al15,-4.4651340625,-0.4190848723,0.003864662,0.003864662,GGA,R-3m,A15B4C_hR60_166_d2h_2c_b:Al-Er-Y,20.0,A15B4C_hR60_166_d2h_2c_b:Al-Er-Y +mp-1106277,ErAl3(BO3)4,-8.347053636,-3.2529397401,0.0069012902,0.0069012902,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Er-O,20.0,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Er-O +mp-6062,YAl3(BO3)4,-8.435991663,-3.2469401519,0.0,-4.48039e-05,GGA,R32,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Y,20.0,"Invalid WP multiplicities - A3B4C12D_hR60_155_e_ad_2d2f_b:Al-B-O-Y, expected YAl3(B2O9)2 to be YAl3(BO3)4" +mp-1215901,YErAl4,-4.85415149,-0.5180692828,0.0010633158,0.0010633158,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Er-Y,6.0,A4BC_cF24_216_e_a_c:Al-Er-Y +mp-1216239,Y9Er3Al20O48,-8.4927453621,-3.6895707222,0.0005725265,0.0005725265,GGA,C2,A20B3C48D9_mC160_5_2a2b8c_ac_24c_a2b3c:Al-Er-O-Y,80.0,"Invalid WP multiplicities - A20B3C48D9_mC160_5_2a2b10c_ac_36c_a2b3c:Al-Er-O-Y, expected Y3ErAl8O24 to be Y9Er3Al20O48" +mp-1216111,YEr2Al9,-4.532116995,-0.4227760614,0.0026602392,0.0026602392,GGA,P-6m2,A9B2C_hP48_187_jk5n_g3i_adh:Al-Er-Y,48.0,"Invalid WP multiplicities - A9B2C_hP48_187_3j3k23n_g6i_ad2h:Al-Er-Y, expected Y3Er7Al78 to be YEr2Al9" +mp-1215992,YErAl6,-4.6142484538,-0.4257928408,0.0027519175,0.0027519175,GGA,R3m,A6BC_hR72_160_6b_3a_3a:Al-Er-Y,24.0,"Invalid WP multiplicities - A6BC_hR72_160_18b_3a_3a:Al-Er-Y, expected YErAl18 to be YErAl6" +mp-1198758,ErAlB14,-6.5259532287,-0.1619045143,0.0528282407,0.0528282407,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Er,32.0,AB14C_oI64_74_a_3i2j_e:Al-B-Er +mp-1216022,YErAl6(BO3)8,-8.3913949652,-3.2498122617,0.0042091052,0.0042091052,GGA,P2,A6B8CD24E_mP40_3_ab2e_2c2d2e_a_2c2d10e_b:Al-B-Er-O-Y,40.0,"Invalid WP multiplicities - A6B8CD24E_mP40_3_ad3e_2b2c4e_a_2b2c20e_d:Al-B-Er-O-Y, expected YErAl8(B3O11)4 to be YErAl6(BO3)8" +mp-1215985,YErAl2O6,-8.5622653225,-3.7417179374,0.0199381954,0.0199381954,GGA,Pmc2_1,A2BC6D_oP20_26_c_a_ab2c_b:Al-Er-O-Y,20.0,"Invalid WP multiplicities - A2BC6D_oP20_26_c_a_ab3c_b:Al-Er-O-Y, expected YErAl2O8 to be YErAl2O6" +mp-972415,YErAl2,-5.033485895,-0.4021504992,0.0152942283,0.0152942283,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Al-Er-Y,4.0,A2BC_cF16_225_c_a_b:Al-Er-Y +mp-1516972,SrEuVWO6,-9.130734735,-2.7638683529,0.0453004756,0.0453004756,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-V-W,,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-V-W +mp-776454,Li9Cr4C8(SO16)2,-7.4667201164,-2.0814699688,0.0791239245,0.0791239245,GGA+U,C2,A8B4C9D32E2_mC110_5_4c_2c_a4c_16c_ab:C-Cr-Li-O-S,55.0,"Invalid WP multiplicities - A8B4C9D32E2_mC110_5_8c_4c_a6c_29c_ab:C-Cr-Li-O-S, expected Li13Cr8C16(SO29)2 to be Li9Cr4C8(SO16)2" +mp-649195,CrC5SO7,-7.7223538086,-0.9680933958,0.5290100549,0.5290100549,GGA+U,Pna2_1,A5BC7D_oP112_33_10a_2a_14a_2a:C-Cr-O-S,112.0,"Invalid WP multiplicities - A5BC7D_oP112_33_36a_4a_53a_2a:C-Cr-O-S, expected Cr4C36S2O53 to be CrC5SO7" +mp-773160,LiCrCSO7,-7.475123385,-2.0611318691,0.0373644644,0.0373644644,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cr-Li-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cr-Li-O-S, expected LiCrCSO13 to be LiCrCSO7" +mp-1177627,Li4Cr2C4SO16,-7.5106184913,-2.0609919126,0.0898589421,0.0898589421,GGA+U,P1,A4B2C4D16E_aP108_1_16a_8a_16a_64a_4a:C-Cr-Li-O-S,108.0,A4B2C4D16E_aP108_1_16a_8a_16a_64a_4a:C-Cr-Li-O-S +mp-771912,Li4Cr2C4SO16,-7.5303068196,-2.080680241,0.0701706138,0.0701706138,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Cr-Li-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Cr-Li-O-S, expected Li10Cr2C4SO84 to be Li4Cr2C4SO16" +mp-768607,Li2CrCSO7,-7.2038311217,-2.0819286599,0.1062467134,0.1062467134,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Li-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Li-O-S +mp-1196178,TiH9(SO6)2,-6.0999195947,-1.6806199826,0.037121621,0.037121621,GGA,Pnma,A9B12C2D_oP96_62_c4d_2c5d_d_a:H-O-S-Ti,96.0,A9B12C2D_oP96_62_c4d_2c5d_d_a:H-O-S-Ti +mp-699488,CsTiH24(SO10)2,-5.6404726143,-1.5274935845000002,0.0276508484,0.0276508484,GGA,Pbca,AB24C20D2E_oP192_61_a_12c_10c_c_b:Cs-H-O-S-Ti,192.0,AB24C20D2E_oP192_61_a_12c_10c_c_b:Cs-H-O-S-Ti +mp-699489,CsTiH24(SO10)2,-5.6400900336,-1.5271110039,0.0280334291,0.0280334291,GGA,Pa-3,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-Ti,192.0,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-Ti +mp-1182688,CsTiH24(SO10)2,-4.8741620396,-0.7611830099,0.793961423,0.793961423,GGA,Pa-3,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-Ti,192.0,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-Ti +mp-505139,TiH2SO6,-7.0110208942,-2.1612682701,0.0042780104,0.0042780104,GGA,P2_12_12_1,A2B6CD_oP40_19_2a_6a_a_a:H-O-S-Ti,40.0,A2B6CD_oP40_19_2a_6a_a_a:H-O-S-Ti +mp-21703,Na3TiP3NO9,-7.3343020497,-2.5719685942,0.0126105943,0.0126105943,GGA,P2_13,AB3C9D3E_cP68_198_a_3a_3b_b_a:N-Na-O-P-Ti,68.0,"Invalid WP multiplicities - AB3C9D3E_cP68_198_a_7a_11b_b_a:N-Na-O-P-Ti, expected Na7TiP3NO33 to be Na3TiP3NO9" +mp-1201867,Ti3P4(NO8)2,-7.8391790352,-2.1927912229,0.5989365365,0.5989365365,GGA,P2_1,A2B16C4D3_mP50_4_2a_16a_4a_3a:N-O-P-Ti,50.0,A2B16C4D3_mP50_4_2a_16a_4a_3a:N-O-P-Ti +mp-989624,TiPN3,-8.6854144385,-1.0217585788,0.0161775668,0.0161775668,GGA,C2/c,A3BC_mC40_15_3f_f_2e:N-P-Ti,20.0,"Invalid WP multiplicities - A3BC_mC40_15_9f_f_4e:N-P-Ti, expected Ti2PN9 to be TiPN3" +mp-989613,TiPN3,-8.671423264,-1.0077674043,0.0301687413,0.0301687413,GGA,Amm2,A3BC_oC10_38_ae_b_a:N-P-Ti,5.0,"Invalid WP multiplicities - A3BC_oC10_38_a2e_b_a:N-P-Ti, expected TiPN5 to be TiPN3" +mp-1208416,Ti3P4(NO9)2,-7.662627957,-2.0680697078,0.5935498927,0.5935498927,GGA,P2_1,A2B18C4D3_mP54_4_2a_18a_4a_3a:N-O-P-Ti,54.0,A2B18C4D3_mP54_4_2a_18a_4a_3a:N-O-P-Ti +mp-1190356,TiP2NO8,-7.4529459487,-1.9002708117,0.6543337633,0.6543337633,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:N-O-P-Ti,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:N-O-P-Ti +mp-1193813,Ti3P4NO18,-7.8011050696,-2.3120059233,0.4519836619,0.4519836619,GGA,P-1,AB18C4D3_aP26_2_a_9i_2i_ci:N-O-P-Ti,26.0,AB18C4D3_aP26_2_a_9i_2i_ci:N-O-P-Ti +mp-1203386,K2H3IrNCl5,-4.5337294971,-1.2990137943,0.0,-0.0102175631,GGA,Pnma,A5B3CD2E_oP48_62_3cd_cd_c_d_c:Cl-H-Ir-K-N,48.0,A5B3CD2E_oP48_62_3cd_cd_c_d_c:Cl-H-Ir-K-N +mp-1204928,PrHIClO13,-5.5022308229,-1.0432609373,0.0,-0.0514585542,GGA,P2_1/c,ABCD13E_mP68_14_e_e_e_13e_e:Cl-H-I-O-Pr,68.0,ABCD13E_mP68_14_e_e_e_13e_e:Cl-H-I-O-Pr +mp-1196335,PrH4Cl3O11,-5.2887548913,-1.1671235366,0.0067361903,0.0067361903,GGA,P2_12_12_1,A3B4C11D_oP76_19_3a_4a_11a_a:Cl-H-O-Pr,76.0,A3B4C11D_oP76_19_3a_4a_11a_a:Cl-H-O-Pr +mp-1196834,PrIClO13,-5.1082357577,-0.5826256320000001,0.344550643,0.344550643,GGA,P2_1/c,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr,64.0,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr +mp-1204036,PrIClO13,-5.0870598041,-0.5614496784,0.3657265966,0.3657265966,GGA,P2_1/c,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr,64.0,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr +mp-1211103,PrIClO13,-5.0958410631,-0.5702309374,0.3569453376,0.3569453376,GGA,P2_1/c,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr,64.0,ABC13D_mP64_14_e_e_13e_e:Cl-I-O-Pr +mp-1200790,Na3NbHO2F7,-5.623795291,-2.7141283510000003,0.0522647566,0.0522647566,GGA,Pbcn,A7BC3DE2_oP112_60_7d_2c_3d_d_2d:F-H-Na-Nb-O,112.0,A7BC3DE2_oP112_60_7d_2c_3d_d_2d:F-H-Na-Nb-O +mp-1197739,ZnH14SO11,-5.3852556363,-1.4108877129,0.0085020109,0.0085020109,GGA,P2_12_12_1,A14B11CD_oP108_19_14a_11a_a_a:H-O-S-Zn,108.0,A14B11CD_oP108_19_14a_11a_a_a:H-O-S-Zn +mp-24345,ZnH12(SO6)2,-5.4941060311,-1.4346386082,0.0282833751,0.0282833751,GGA,P-1,A12B12C2D_aP27_2_6i_6i_i_a:H-O-S-Zn,27.0,"Invalid WP multiplicities - A12B12C2D_aP27_2_8i_8i_i_a:H-O-S-Zn, expected ZnH16(SO8)2 to be ZnH12(SO6)2" +mp-643066,ZnH2SO5,-5.7957377,-1.6940611308,0.0,-0.0239770322,GGA,C2/c,A2B5CD_mC36_15_f_e2f_e_c:H-O-S-Zn,18.0,A2B5CD_mC36_15_f_e2f_e_a:H-O-S-Zn +mp-24502,ZnH2(SO4)2,-5.9958612546,-1.6965070143,0.0,-0.0010287654,GGA,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:H-O-S-Zn,26.0,"Invalid WP multiplicities - A2B8C2D_mP26_14_e_5e_e_a:H-O-S-Zn, expected ZnH2(SO5)2 to be ZnH2(SO4)2" +mp-779814,Cs2ZnH12(SO7)2,-5.5429731387,-1.6303988618,0.0,-0.0073762562,GGA,P2_1/c,A2B12C14D2E_mP62_14_e_6e_7e_e_a:Cs-H-O-S-Zn,62.0,"Invalid WP multiplicities - A2B12C14D2E_mP62_14_e_21e_25e_e_a:Cs-H-O-S-Zn, expected Cs2ZnH42(SO25)2 to be Cs2ZnH12(SO7)2" +mp-1197946,ZnH6(SO4)4,-5.9653103994,-1.6205356318000002,0.0,-0.0073572602,GGA,P2_1/c,A6B16C4D_mP54_14_3e_8e_2e_a:H-O-S-Zn,54.0,A6B16C4D_mP54_14_3e_8e_2e_a:H-O-S-Zn +mp-24708,ZnH8SO8,-5.4782834197,-1.4720883349,0.0159692407,0.0159692407,GGA,P2_1/c,A8B8CD_mP72_14_8e_8e_e_e:H-O-S-Zn,72.0,"Invalid WP multiplicities - A8B8CD_mP72_14_11e_10e_e_e:H-O-S-Zn, expected ZnH11SO10 to be ZnH8SO8" +mp-1197363,ZnH8SO8,-5.4655607765,-1.4593656917,0.0286918839,0.0286918839,GGA,P2_1/c,A8B8CD_mP72_14_8e_8e_e_e:H-O-S-Zn,72.0,A8B8CD_mP72_14_8e_8e_e_e:H-O-S-Zn +mp-1195318,Zn7H10(SO9)2,-5.4031755316,-1.6178035788,0.0032062799,0.0032062799,GGA,P-1,A10B18C2D7_aP37_2_5i_9i_i_a3i:H-O-S-Zn,37.0,A10B18C2D7_aP37_2_5i_9i_i_a3i:H-O-S-Zn +mp-768218,Li2TmPCO7,-7.5906473183,-2.7937748071,0.0917481025,0.0917481025,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Tm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Tm, expected Li2TmPCO13 to be Li2TmPCO7" +mp-553990,Ba4B2N4O,-6.8596841773,-1.466288567,0.011112585,0.011112585,GGA,Cmce,A2B4C4D_oC44_64_d_df_g_a:B-Ba-N-O,22.0,"Invalid WP multiplicities - A2B4C4D_oC44_64_d_3d2f_g_a:B-Ba-N-O, expected Ba10B2N4O to be Ba4B2N4O" +mp-1256464,Ba7SiB3NO13,-7.4056355128,-2.944044869,0.1227239151,0.1227239151,GGA,P2_1,A3B7CD13E_mP50_4_3a_7a_a_13a_a:B-Ba-N-O-Si,50.0,"Invalid WP multiplicities - A3B7CD13E_mP50_4_5a_13a_a_25a_a:B-Ba-N-O-Si, expected Ba13SiB5NO25 to be Ba7SiB3NO13" +mp-695708,Ba7SiB3NO13,-7.397946142,-2.9363554982,0.1304132859,0.1304132859,GGA,P6_3,A3B7CD13E_hP50_173_c_b2c_a_b4c_b:B-Ba-N-O-Si,50.0,"Invalid WP multiplicities - A3B7CD13E_hP50_173_c_2b10c_a_2b19c_b:B-Ba-N-O-Si, expected Ba32SiB3NO59 to be Ba7SiB3NO13" +mp-683942,BaU(SeO4)2,-6.8193532894,-1.8380434898,0.645578266,0.645578266,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Ba-O-Se-U,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_25e_3e_e:Ba-O-Se-U, expected BaUSe3O25 to be BaU(SeO4)2" +mp-1198641,BaU(SeO4)2,-6.8480049719,-1.8666951723,0.6169265835000001,0.6169265835000001,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Ba-O-Se-U,48.0,AB8C2D_mP48_14_e_8e_2e_e:Ba-O-Se-U +mp-1214976,BaU3W3(SeO7)2,-8.4408250983,-1.8793876821,0.9855673793,0.9855673793,GGA+U,Pmn2_1,AB14C2D3E3_oP46_31_a_4a5b_b_ab_ab:Ba-O-Se-U-W,46.0,AB14C2D3E3_oP46_31_a_4a5b_b_ab_ab:Ba-O-Se-U-W +mp-643270,K3ZnH5,-2.7149583217,-0.3200060243,0.0002451969,0.0002451969,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:H-K-Zn,18.0,A5B3C_tI36_140_cl_ah_b:H-K-Zn +mp-697882,K2ZnCr4(HO4)4,-6.6706684122,-1.6776811921,0.0058372265,0.0058372265,GGA+U,P-1,A4B4C2D16E_aP27_2_2i_2i_i_8i_a:Cr-H-K-O-Zn,27.0,A4B4C2D16E_aP27_2_2i_2i_i_8i_a:Cr-H-K-O-Zn +mp-695998,K2ZnH4,-2.7682594711,-0.3323386591,0.0,-0.0580477811,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:H-K-Zn,28.0,A4B2C_oP28_62_2cd_2c_c:H-K-Zn +mp-1195983,K2ZnCr2(H2O5)2,-6.2279727753,-1.7108976312,0.0011099145,0.0011099145,GGA+U,C2/c,A2B4C2D10E_mC76_15_f_2f_f_5f_e:Cr-H-K-O-Zn,38.0,A2B4C2D10E_mC76_15_f_2f_f_5f_e:Cr-H-K-O-Zn +mp-771341,Li3BePCO7,-7.0480445942,-2.5299699448,0.0508827742,0.0508827742,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:Be-C-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:Be-C-Li-O-P, expected Li5BePCO13 to be Li3BePCO7" +mp-756768,Li3BePCO7,-7.0191589677,-2.5010843182,0.0797684008,0.0797684008,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Be-C-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Be-C-Li-O-P, expected Li4BePCO13 to be Li3BePCO7" +mp-6050,AgCSN,-6.1065588425,0.0269827294,0.166773906,0.166773906,GGA,C2/c,ABCD_mC32_15_f_f_f_f:Ag-C-N-S,16.0,ABCD_mC32_15_f_f_f_f:Ag-C-N-S +mp-562550,AgCSN,-6.1185170644,0.0150245076,0.1548156841,0.1548156841,GGA,Pnnm,ABCD_oP16_58_g_g_g_g:Ag-C-N-S,16.0,ABCD_oP16_58_g_g_g_g:Ag-C-N-S +mp-1180280,Mo3C8S13N2,-6.4196266319,0.3808776907,0.9141134817,0.9141134817,GGA,P1,A8B3C2D13_aP26_1_8a_3a_2a_13a:C-Mo-N-S,26.0,A8B3C2D13_aP26_1_8a_3a_2a_13a:C-Mo-N-S +mp-1193014,Mo3C8S13N2,-6.3221080977,0.478396225,1.0116320159,1.0116320159,GGA,P1,A8B3C2D13_aP26_1_8a_3a_2a_13a:C-Mo-N-S,26.0,"Invalid WP multiplicities - A8B3C2D13_mC52_8_8b_ab_b_5a4b:C-Mo-N-S, expected Mo3C16S13N2 to be Mo3C8S13N2" +mp-725071,Mo(S2N)2,-5.07493907,1.2199808482,1.7349332048,1.7349332048,GGA,Pnma,AB2C4_oP28_62_c_2c_2cd:Mo-N-S,28.0,AB2C4_oP28_62_c_2c_2cd:Mo-N-S +mp-1222494,MoS6N,-5.4682400306,0.0318654989,0.4824488109,0.4824488109,GGA,P2_1,ABC6_mP96_4_6a_6a_36a:Mo-N-S,96.0,"Invalid WP multiplicities - ABC6_mP96_4_10a_10a_72a:Mo-N-S, expected Mo5S36N5 to be MoS6N" +mp-726944,AgC2S2N3,-5.9610257731,0.8605081640000001,0.9848703786,0.9848703786,GGA,P2_1/c,AB2C3D2_mP32_14_e_2e_3e_2e:Ag-C-N-S,32.0,AB2C3D2_mP32_14_e_2e_3e_2e:Ag-C-N-S +mp-1210552,Mo2S4N,-6.6176733043,0.0356973546,1.0656020679,1.0656020679,GGA,I4/m,A2BC4_tI14_87_d_a_h:Mo-N-S,7.0,A2BC4_tI14_87_d_a_h:Mo-N-S +mp-1210975,NaBeHCO5,-6.4128860743,-1.6999112685000002,0.2259412667,0.2259412667,GGA,P4/mcc,ABCDE5_tP72_124_j_m_m_m_3mn:Be-C-H-Na-O,72.0,ABCDE5_tP72_124_j_m_m_m_3mn:Be-C-H-Na-O +mp-23729,NaBeH3,-3.200501326,-0.1524780673,0.1260780568,0.1260780568,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-H-Na,5.0,AB3C_cP5_221_b_c_a:Be-H-Na +mp-568987,Na2BeH4,-3.1773477221,-0.3265809176,0.0,-0.0983185631,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Be-H-Na,14.0,"Invalid WP multiplicities - AB4C2_mP14_11_e_4e2f_2e:Be-H-Na, expected Na2BeH8 to be Na2BeH4" +mp-685459,Na16Be8H15,-2.5179341775,0.0965939838,0.3164080629,0.3164080629,GGA,P1,A8B15C16_aP117_1_24a_45a_48a:Be-H-Na,117.0,A8B15C16_aP117_1_24a_45a_48a:Be-H-Na +mp-738609,LiH20C8BrO4,-5.3405894137,-0.4896320348,0.185734624,0.185734624,GGA,C2/c,AB8C20DE4_mC136_15_e_4f_10f_e_2f:Br-C-H-Li-O,68.0,AB8C20DE4_mC136_15_e_4f_10f_e_2f:Br-C-H-Li-O +mp-1517596,KEuBiWO6,-8.0717163815,-2.2871011441,0.0653821199,0.0653821199,GGA+U,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Bi-Eu-K-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_2c2d_6m_f:Bi-Eu-K-O-W, expected K2EuBiWO12 to be KEuBiWO6" +mp-1517635,KEuBiWO6,-8.04971305,-2.2650978125,0.0873854514,0.0873854514,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-Eu-K-O-W +mp-682364,RbZnB(PO4)2,-2.9098485488,1.6532117709,4.3064658477,4.2848968789,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:B-O-P-Rb-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_15i_3i_i_i:B-O-P-Rb-Zn, expected RbZnB(PO5)3 to be RbZnB(PO4)2" +mp-557658,RbZnB(PO4)2,-7.2163143965,-2.6532540768,0.0,-0.0215689688,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:B-O-P-Rb-Zn,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_15i_3i_i_i:B-O-P-Rb-Zn, expected RbZnB(PO5)3 to be RbZnB(PO4)2" +mp-1020643,Rb3Zn(BO2)5,-7.2210512172,-2.6386727018,0.0,-0.0092328874,GGA,P2_1/c,A5B10C3D_mP76_14_5e_10e_3e_e:B-O-Rb-Zn,76.0,A5B10C3D_mP76_14_5e_10e_3e_e:B-O-Rb-Zn +mp-542143,RbZn4(BO3)3,-6.4797685876,-2.3281284567,0.0014655592,0.0014655592,GGA,P2/c,A3B9CD4_mP34_13_eg_e4g_f_2g:B-O-Rb-Zn,34.0,A3B9CD4_mP34_13_eg_e4g_f_2g:B-O-Rb-Zn +mp-9720,Rb3BP2,-3.7825106633,-0.3745774964,0.0,-0.0978438083,GGA,C2/c,AB2C3_mC24_15_e_f_ef:B-P-Rb,12.0,AB2C3_mC24_15_e_f_ef:B-P-Rb +mp-696655,Sb2P3(HO3)3,-6.5647677515,-1.9061626611,0.0184720088,0.0184720088,GGA,P-1,A3B9C3D2_aP34_2_3i_9i_3i_2i:H-O-P-Sb,34.0,A3B9C3D2_aP34_2_3i_9i_3i_2i:H-O-P-Sb +mp-755529,SbPHO5,-6.7909151738,-2.0823560053,0.0296324311,0.0296324311,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Sb,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Sb, expected SbPHO9 to be SbPHO5" +mp-24696,MgSb2(H4O3)6,-5.4484001717,-1.4411978515,0.0300736905,0.0300736905,GGA,P3,A24BC18D2_hP270_143_48d_2d_36d_2a2b2c2d:H-Mg-O-Sb,270.0,A24BC18D2_hP270_143_48d_2d_36d_2a2b2c2d:H-Mg-O-Sb +mp-2228948,MgSb2P2(HO5)2,-6.7545855018,-2.2288662814,0.059616293,0.059616293,GGA,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Sb,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Sb +mp-2229831,MgSb2P2(HO5)2,-6.72473746,-2.1990182397,0.0894643348,0.0894643348,GGA,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Sb,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Sb +mp-2229573,MgSb2P2(HO5)2,-6.71532725,-2.1896080297,0.0988745448,0.0988745448,GGA,P-1,A2BC10D2E2_aP17_2_i_a_5i_i_cf:H-Mg-O-P-Sb,17.0,"Invalid WP multiplicities - A2BC10D2E2_aP17_2_i_a_9i_i_cf:H-Mg-O-P-Sb, expected MgSb2P2(HO9)2 to be MgSb2P2(HO5)2" +mp-771965,Sb2P4H3O16,-6.8762830264,-2.1068266255,0.0828012948,0.0828012948,GGA,P1,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-Sb,25.0,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-Sb +mp-1222988,LaH3(SO4)3,-6.6128029563,-2.0399714102,0.0,-0.0024457494,GGA,P6_3,A3BC12D3_hP38_173_c_b_4c_c:H-La-O-S,38.0,A3BC12D3_hP38_173_c_b_4c_c:H-La-O-S +mp-677384,NaLaH2S2O9,-6.6790623993,-2.2899235578,0.005388886,0.0018684305,GGA,P3_1,A2BCD9E2_hP45_144_2a_a_a_9a_2a:H-La-Na-O-S,45.0,"Invalid WP multiplicities - A2BCD9E2_hP45_152_c_a_b_3a23c_c:H-La-Na-O-S, expected NaLaH2S2O49 to be NaLaH2S2O9" +mp-557508,NaLaH2S2O9,-6.6844512853,-2.2953124438,0.0,-0.0035204555,GGA,P3_121,A2BCD9E2_hP45_152_c_a_b_a4c_c:H-La-Na-O-S,45.0,"Invalid WP multiplicities - A2BCD9E2_hP45_152_c_a_b_3a18c_c:H-La-Na-O-S, expected NaLaH2S2O39 to be NaLaH2S2O9" +mp-557840,NaLa(SO4)2,-7.0529716321,-2.5442264802,0.0,-0.0169464847,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:La-Na-O-S,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_16i_4i:La-Na-O-S, expected NaLa(SO4)4 to be NaLa(SO4)2" +mp-762358,LaH9(SO6)2,-6.1067442026,-1.8107564618,0.0051661811,0.0051661811,GGA,P2_1/c,A9BC12D2_mP96_14_9e_e_12e_2e:H-La-O-S,96.0,"Invalid WP multiplicities - A9BC12D2_mP96_14_35e_e_47e_3e:H-La-O-S, expected LaH35S3O47 to be LaH9(SO6)2" +mp-1220712,NaLaS2,-5.6620749575,-2.0292169245,0.0721663375,-0.0084636188,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:La-Na-S,4.0,ABC2_tP4_123_a_d_bc:La-Na-S +mp-675230,NaLaS2,-5.7318947975,-2.0990367645,0.0023464975,-0.0782834588,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:La-Na-S,8.0,ABC2_tI16_141_a_b_e:La-Na-S +mp-1220714,NaLaS2,-5.734241295,-2.101383262,0.0,-0.0806299563,GGA,R-3m,ABC2_hR12_166_a_b_c:La-Na-S,4.0,ABC2_hR12_166_a_b_c:La-Na-S +mp-1077866,BaZnBO3F,-6.7340111071,-2.9326317611,0.02034386,0.02034386,GGA,P-6,ABCD3E_hP7_174_c_f_b_j_a:B-Ba-F-O-Zn,7.0,ABCD3E_hP7_174_c_f_b_j_a:B-Ba-F-O-Zn +mp-1195124,Ba5Zn2B4(O6F)2,-7.1275871944,-3.0469811355,0.011029427,0.011029427,GGA,C2/c,A4B5C2D12E2_mC100_15_2f_e2f_f_6f_f:B-Ba-F-O-Zn,50.0,A4B5C2D12E2_mC100_15_2f_e2f_f_6f_f:B-Ba-F-O-Zn +mp-1195688,Ba3Zn2B3O9F,-7.0592328532,-2.9066625909,0.0183365872,0.0183365872,GGA,Pnma,A3B3CD9E2_oP72_62_cd_cd_c_c4d_d:B-Ba-F-O-Zn,72.0,A3B3CD9E2_oP72_62_cd_cd_c_c4d_d:B-Ba-F-O-Zn +mp-556903,HgSb4C2(OF11)2,-5.1381178634,-2.3244749273,0.0804505329,0.0804505329,GGA,P2_1/c,A2B22CD2E4_mP62_14_e_11e_a_e_2e:C-F-Hg-O-Sb,62.0,"Invalid WP multiplicities - A2B22CD2E4_mP62_14_e_44e_a_e_6e:C-F-Hg-O-Sb, expected HgSb12C2(OF44)2 to be HgSb4C2(OF11)2" +mp-1103648,Hg(C2F3)2,-5.4477169827,-1.0216064245,0.4767733974,0.4767733974,GGA,P-1,A4B6C_aP11_2_2i_3i_a:C-F-Hg,11.0,A4B6C_aP11_2_2i_3i_a:C-F-Hg +mp-558982,HgC2O2F3,-5.8719661716000005,-1.5733629622,0.1275658767,0.1275658767,GGA,C2/c,A2B3CD2_mC64_15_2f_3f_f_2f:C-F-Hg-O,32.0,"Invalid WP multiplicities - A2B3CD2_mC64_15_6f_10f_f_3f:C-F-Hg-O, expected HgC6O3F10 to be HgC2O2F3" +mp-1191261,HgSbOF8,-4.0907453636,-1.8479088131,0.0902309204,0.0902309204,GGA,P-1,A8BCD_aP22_2_8i_i_i_i:F-Hg-O-Sb,22.0,A8BCD_aP22_2_8i_i_i_i:F-Hg-O-Sb +mp-754500,LiSn2P4H3O16,-6.9259135138,-2.2756645093,0.0592267371,0.0592267371,GGA,P1,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Sn,26.0,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Sn +mp-759095,LiSn2P4H3O16,-6.9438131719000005,-2.2935641674,0.041327079,0.041327079,GGA,P1,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Sn,26.0,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Sn +mp-852069,LiSnPHO5,-4.0690744167,0.31514412,2.6052810816000003,2.6052810816000003,GGA,P-1,ABC5DE_aP18_2_i_i_5i_i_be:H-Li-O-P-Sn,18.0,"Invalid WP multiplicities - ABC5DE_aP18_2_i_i_9i_i_be:H-Li-O-P-Sn, expected LiSnPHO9 to be LiSnPHO5" +mp-753239,LiSnPHO5,-6.6256153772,-2.2413968406,0.0487401211,0.0487401211,GGA,P-1,ABC5DE_aP18_2_i_i_5i_i_be:H-Li-O-P-Sn,18.0,"Invalid WP multiplicities - ABC5DE_aP18_2_i_i_9i_i_be:H-Li-O-P-Sn, expected LiSnPHO9 to be LiSnPHO5" +mp-1337078,LiSnPHO5,-3.8978801283,0.4863384083,2.77647537,2.77647537,GGA,P-1,ABC5DE_aP18_2_i_i_5i_i_ab:H-Li-O-P-Sn,18.0,"Invalid WP multiplicities - ABC5DE_aP18_2_i_i_9i_i_ab:H-Li-O-P-Sn, expected LiSnPHO9 to be LiSnPHO5" +mp-777312,Li4Sn2P4H3O16,-6.6872469824,-2.3205834404,0.0656182437,0.0656182437,GGA,P1,A3B4C16D4E2_aP29_1_3a_4a_16a_4a_2a:H-Li-O-P-Sn,29.0,A3B4C16D4E2_aP29_1_3a_4a_16a_4a_2a:H-Li-O-P-Sn +mp-556238,CuC3(OF)3,-6.698188681,-1.4622180626,0.1530146192,0.1530146192,GGA,C2/c,A3BC3D3_mC80_15_3f_f_3f_3f:C-Cu-F-O,40.0,"Invalid WP multiplicities - A3BC3D3_mC80_15_10f_f_11f_10f:C-Cu-F-O, expected CuC10O10F11 to be CuC3(OF)3" +mp-1147631,LiCuOF,-5.149465555,-1.9328912511,0.1217965925,0.1217965925,GGA,P4/mmm,ABCD_tP4_123_a_b_d_c:Cu-F-Li-O,4.0,ABCD_tP4_123_a_b_d_c:Cu-F-Li-O +mp-755641,LiCuCO3F,-6.3952324714,-1.8254695957,0.1073565714,0.1073565714,GGA,Pmc2_1,ABCDE3_oP14_26_a_a_b_b_3a:C-Cu-F-Li-O,14.0,"Invalid WP multiplicities - ABCDE3_oP14_26_a_a_b_b_6a:C-Cu-F-Li-O, expected LiCuCO6F to be LiCuCO3F" +mp-1235045,LiCu6OF11,-4.5656636516,-1.8037099547,0.06012414,0.06012414,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235051,LiCu6OF11,-4.5537770405,-1.7918233437,0.0720107511,0.0720107511,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235161,LiCu6OF11,-4.5637477195,-1.8017940226,0.0620400721,0.0620400721,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235178,LiCu6OF11,-4.5221126411,-1.7601589442,0.1036751505,0.1036751505,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235344,LiCu6OF11,-4.5257430211,-1.7637893242,0.1000447705,0.1000447705,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235406,LiCu6OF11,-4.5320155226,-1.7700618258,0.0937722689,0.0937722689,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235450,LiCu6OF11,-4.5600561695,-1.7981024726,0.0657316221,0.0657316221,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235453,LiCu6OF11,-4.5522465147,-1.7902928179000002,0.0735412768,0.0735412768,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235471,LiCu6OF11,-4.5367418542,-1.7747881573000002,0.0890459374,0.0890459374,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235671,LiCu6OF11,-4.5553239063,-1.7933702095,0.0704638853,0.0704638853,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235674,LiCu6OF11,-4.5079014584,-1.7459477616,0.1178863332,0.1178863332,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235676,LiCu6OF11,-4.5632690674,-1.8013153705,0.0625187242,0.0625187242,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1235764,LiCu6OF11,-4.5261010089,-1.7641473121,0.0996867826,0.0996867826,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1236446,LiCu6OF11,-4.5739842847,-1.8120305879,0.0518035068,0.0518035068,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1236652,LiCu6OF11,-4.5375364742,-1.7755827773,0.0882513174,0.0882513174,GGA,P1,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O,19.0,A6B11CD_aP19_1_6a_11a_a_a:Cu-F-Li-O +mp-1147575,Li3CuOF3,-5.10750597,-2.5441183595,0.0661978612,0.0661978612,GGA,P4/mmm,AB3C3D_tP8_123_a_dg_bh_c:Cu-F-Li-O,8.0,"Invalid WP multiplicities - AB3C3D_tP8_123_a_d2g_b2h_c:Cu-F-Li-O, expected Li5CuOF5 to be Li3CuOF3" +mp-1214954,Ba2YV3O11,-8.4114091849,-3.001425948,0.0167670444,0.0167670444,GGA+U,P2_1/c,A2B11C3D_mP68_14_2e_11e_3e_e:Ba-O-V-Y,68.0,A2B11C3D_mP68_14_2e_11e_3e_e:Ba-O-V-Y +mp-1048392,BaYV4O7,-8.5809005331,-2.477216586,0.2307771671,0.2307771671,GGA+U,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-V-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-V-Y +mp-1405850,Ba2YTlV2O7,-7.6277120523,-2.5921968786000003,0.2504801832,0.2504801832,GGA+U,P4/mmm,A2B7CD2E_tP13_123_g_ahi_c_h_b:Ba-O-Tl-V-Y,13.0,"Invalid WP multiplicities - A2B7CD2E_tP13_123_g_a2h2i_c_h_b:Ba-O-Tl-V-Y, expected Ba2YTlV2O13 to be Ba2YTlV2O7" +mp-1307361,Ba2YV3O8,-8.3205007568,-2.8112401215,0.1356059604,0.1356059604,GGA+U,Pmmm,A2B8C3D_oP14_47_l_ceijk_ai_h:Ba-O-V-Y,28.0,"Invalid WP multiplicities - A2B8C3D_oP14_47_l_cei2j2k_2a2i_h:Ba-O-V-Y, expected Ba2YV6O12 to be Ba2YV3O8" +mp-1303539,Ba2YV3O8,-8.4148076929,-2.9055470576,0.0412990243,0.0412990243,GGA+U,Cmmm,A2B8C3D_oC56_65_q_e2g3hp_3g_j:Ba-O-V-Y,28.0,"Invalid WP multiplicities - A2B8C3D_tP14_123_h_egi_2b2g_c:Ba-O-V-Y, expected Ba2YV6O8 to be Ba2YV3O8" +mp-1047835,Ba2YV3O8,-8.4294262493,-2.920165614,0.0266804679,0.0266804679,GGA+U,P4/mmm,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-V-Y,28.0,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-V-Y +mp-1048379,Ba2YV3O7,-8.2753456308,-2.7228102321,0.1198668296,0.1198668296,GGA+U,Pmmm,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-V-Y,13.0,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-V-Y +mp-698352,Na3CrH10C6O17,-6.6451183936,-1.5906971815,0.0533882225,0.0533882225,GGA+U,C2/c,A6BC10D3E17_mC296_15_6f_f_10f_2e2f_17f:C-Cr-H-Na-O,148.0,A6BC10D3E17_mC296_15_6f_f_10f_2e2f_17f:C-Cr-H-Na-O +mp-1211082,Na2CrH5C4O11,-6.9035731341,-1.6605311308,0.0506702175,0.0506702175,GGA+U,P2_1/c,A4BC5D2E11_mP92_14_4e_e_5e_2e_11e:C-Cr-H-Na-O,92.0,A4BC5D2E11_mP92_14_4e_e_5e_2e_11e:C-Cr-H-Na-O +mp-726543,Na3CrH14(C3O8)2,-6.3062429097,-1.4152979019,0.0986255076,0.0986255076,GGA+U,P-1,A6BC14D3E16_aP40_2_3i_b_7i_ci_8i:C-Cr-H-Na-O,40.0,A6BC14D3E16_aP40_2_3i_b_7i_ci_8i:C-Cr-H-Na-O +mp-1522779,Eu2YVO6,-9.704931183,-3.1304798779,0.1426863756,0.1426863756,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-V-Y +mp-728374,MnH5SO7,-6.2125906904,-1.577668093,0.0062000006,0.0062000006,GGA+U,P2_1/c,A5BC7D_mP56_14_5e_ac_7e_e:H-Mn-O-S,56.0,A5BC7D_mP56_14_5e_ac_7e_e:H-Mn-O-S +mp-505481,MnH4S2O9,-6.4162323747,-1.6958562742,0.0010030081,0.0010030081,GGA+U,P2_1/c,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mn-O-S,64.0,A4BC9D2_mP64_14_4e_e_9e_2e:H-Mn-O-S +mp-779879,MnH6(S2O9)2,-6.1375753719,-1.4787971708,0.0732153722,0.0732153722,GGA+U,Pccn,A6BC18D4_oP116_56_3e_c_9e_2e:H-Mn-O-S,116.0,"Invalid WP multiplicities - A6BC18D4_oP116_56_9e_c_33e_5e:H-Mn-O-S, expected MnH18(S5O33)2 to be MnH6(S2O9)2" +mp-696903,MnH4(SO6)2,-5.9649009184,-1.2087912479,0.2289379685,0.2289379685,GGA+U,Pnma,A4BC12D2_oP76_62_2d_a_2c5d_d:H-Mn-O-S,76.0,A4BC12D2_oP76_62_2d_a_2c5d_d:H-Mn-O-S +mp-753183,CaH4SO6,-6.0563467971,-1.9402562809,0.0357416812,0.0357416812,GGA,C2/c,AB4C6D_mC48_15_e_2f_3f_e:Ca-H-O-S,24.0,"Invalid WP multiplicities - AB4C6D_mC48_15_e_3f_11f_e:Ca-H-O-S, expected CaH6SO22 to be CaH4SO6" +mp-23690,CaH4SO6,-6.0752989996,-1.9592084834,0.0167894787,0.0167894787,GGA,C2/c,AB4C6D_mC48_15_e_2f_3f_e:Ca-H-O-S,24.0,"Invalid WP multiplicities - AB4C6D_mC48_15_e_2f_6f_e:Ca-H-O-S, expected CaH4SO12 to be CaH4SO6" +mp-1199375,Mn2H2SO5,-7.1252270333,-1.7272894235,0.0455101343,0.0455101343,GGA+U,Pnma,A2B2C5D_oP40_62_d_d_c2d_c:H-Mn-O-S,40.0,A2B2C5D_oP40_62_d_d_c2d_c:H-Mn-O-S +mp-703574,CaH2(SO4)2,-6.4245608187,-2.0678330191,0.0044221101,0.0044221101,GGA,Pbca,AB2C8D2_oP104_61_c_2c_8c_2c:Ca-H-O-S,104.0,AB2C8D2_oP104_61_c_2c_8c_2c:Ca-H-O-S +mp-24069,MnH2(SO4)2,-6.6942995265,-1.7870782338,0.0,-0.0036714877,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:H-Mn-O-S,26.0,A2BC8D2_mP26_14_e_a_4e_e:H-Mn-O-S +mp-772663,MnH4(SO5)2,-6.3199022835,-1.5862136766,0.0206601535,0.0206601535,GGA+U,P-1,A4BC10D2_aP34_2_4i_i_10i_2i:H-Mn-O-S,34.0,"Invalid WP multiplicities - A4BC10D2_aP34_2_7i_i_19i_3i:H-Mn-O-S, expected MnH7S3O19 to be MnH4(SO5)2" +mp-772662,MnH4(SO5)2,-6.3222853024,-1.5885966954,0.0182771347,0.0182771347,GGA+U,P2_1/c,A4BC10D2_mP34_14_2e_a_5e_e:H-Mn-O-S,34.0,"Invalid WP multiplicities - A4BC10D2_mP34_14_3e_a_15e_e:H-Mn-O-S, expected MnH6(SO15)2 to be MnH4(SO5)2" +mp-1198182,CaH12S2O9,-5.4386036812,-1.4589615748,0.0531916425,0.0531916425,GGA,P-1,AB12C9D2_aP48_2_i_12i_9i_2i:Ca-H-O-S,48.0,AB12C9D2_aP48_2_i_12i_9i_2i:Ca-H-O-S +mp-1204295,MnH6SO7,-5.9386267965,-1.3865173027,0.2097781815,0.2097781815,GGA+U,Pbca,A6BC7D_oP120_61_6c_c_7c_c:H-Mn-O-S,120.0,A6BC7D_oP120_61_6c_c_7c_c:H-Mn-O-S +mp-1214341,Ca3MnH3(SO7)2,-5.840841047,-1.3676438836,0.8329540206,0.8329540206,GGA+U,P6_3/mmc,A3B3CD14E2_hP46_194_h_h_a_f2k_f:Ca-H-Mn-O-S,46.0,A3B3CD14E2_hP46_194_h_h_a_f2k_f:Ca-H-Mn-O-S +mp-505004,MnH10SO9,-5.8564544907,-1.4876009664,0.0189112424,0.0189112424,GGA+U,P-1,A10BC9D_aP42_2_10i_bc_9i_i:H-Mn-O-S,42.0,A10BC9D_aP42_2_10i_bc_9i_i:H-Mn-O-S +mp-1212144,Mn3H6(SO6)2,-6.770057599,-1.7493807984,0.0101609713,0.0101609713,GGA+U,Pbcm,A6B3C12D2_oP92_57_2d2e_de_4d4e_cd:H-Mn-O-S,92.0,A6B3C12D2_oP92_57_2d2e_de_4d4e_cd:H-Mn-O-S +mp-24250,Mn2H2SO6,-7.2088413918,-1.8519264092,0.0,-0.0144883705,GGA+U,C2/c,A2B2C6D_mC44_15_f_f_3f_e:H-Mn-O-S,22.0,A2B2C6D_mC44_15_f_f_3f_e:H-Mn-O-S +mp-696490,Ca2H2S2O7,-6.3684873044,-2.2379971073,0.0908930279,0.0908930279,GGA,Pbcn,A2B2C7D2_oP52_60_d_d_c3d_d:Ca-H-O-S,52.0,A2B2C7D2_oP52_60_d_d_c3d_d:Ca-H-O-S +mp-1204717,Ca3MnH12S2O17,-6.1679003291,-1.9319536064,0.0086601385,0.0086601385,GGA+U,P-62c,A3B12CD17E2_hP70_190_h_2i_a_fh2i_f:Ca-H-Mn-O-S,70.0,A3B12CD17E2_hP70_190_h_2i_a_fh2i_f:Ca-H-Mn-O-S +mp-1200131,Mn5H4(SO5)3,-7.0173826126,-1.6103210974,0.258388888,0.258388888,GGA+U,P2_1/m,A4B5C15D3_mP54_11_2ef_e2f_5e5f_3e:H-Mn-O-S,54.0,A4B5C15D3_mP54_11_2ef_e2f_5e5f_3e:H-Mn-O-S +mp-1202275,Mn5H8S3O16,-6.8516806358,-1.7107977045,0.0295418578,0.0295418578,GGA+U,P2_1/m,A8B5C16D3_mP64_11_2e3f_e2f_6e5f_3e:H-Mn-O-S,64.0,A8B5C16D3_mP64_11_2e3f_e2f_6e5f_3e:H-Mn-O-S +mp-1182124,CaH6(SO4)4,-5.9442112326,-1.5718121586,0.2348044041,0.2201528079,GGA,P-1,AB6C16D4_aP27_2_a_3i_8i_2i:Ca-H-O-S,27.0,AB6C16D4_aP27_2_a_3i_8i_2i:Ca-H-O-S +mp-1193655,CaH6(SO4)4,-6.1790156367,-1.8066165627,0.0,-0.0146515962,GGA,P-1,AB6C16D4_aP27_2_a_3i_8i_2i:Ca-H-O-S,27.0,AB6C16D4_aP27_2_a_3i_8i_2i:Ca-H-O-S +mp-765484,MnH6SO6,-6.0054953866,-1.4815701226,0.0448255672,0.0448255672,GGA+U,P2_1/c,A6BC6D_mP56_14_6e_e_6e_e:H-Mn-O-S,56.0,"Invalid WP multiplicities - A6BC6D_mP56_14_19e_e_19e_e:H-Mn-O-S, expected MnH19SO19 to be MnH6SO6" +mp-735543,MnH6SO6,-5.9634615713,-1.4395363072,0.0868593825,0.0868593825,GGA+U,P2_12_12_1,A6BC6D_oP56_19_6a_a_6a_a:H-Mn-O-S,56.0,A6BC6D_oP56_19_6a_a_6a_a:H-Mn-O-S +mp-556670,MnH6SO6,-6.0044089571,-1.4804836931,0.0459119966,0.0459119966,GGA+U,P2_12_12_1,A6BC6D_oP56_19_6a_a_6a_a:H-Mn-O-S,56.0,"Invalid WP multiplicities - A6BC6D_oP56_19_21a_a_23a_a:H-Mn-O-S, expected MnH21SO23 to be MnH6SO6" +mp-23999,MnH2SO4,-6.6126663797,-1.6288323679,0.0808195738,0.0808195738,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:H-Mn-O-S,32.0,A2BC4D_mP32_14_2e_e_4e_e:H-Mn-O-S +mp-1247934,MnH2SO4,-6.5913460794,-1.6075120676,0.1021398741,0.1021398741,GGA+U,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:H-Mn-O-S,32.0,A2BC4D_mP32_14_2e_e_4e_e:H-Mn-O-S +mp-24732,MnH8SO8,-5.9686570493,-1.523446871,0.0204750358,0.0204750358,GGA+U,P2_1/c,A8BC8D_mP72_14_8e_e_8e_e:H-Mn-O-S,72.0,A8BC8D_mP72_14_8e_e_8e_e:H-Mn-O-S +mp-778207,MnH8(SO6)2,-6.019189069,-1.5001895942,0.0274625892,0.0274625892,GGA+U,C2/c,A8BC12D2_mC184_15_8f_ce_2e11f_2f:H-Mn-O-S,92.0,"Invalid WP multiplicities - A8BC12D2_mC184_15_29f_2a2e_4e41f_5f:H-Mn-O-S, expected Mn2H29S5O43 to be MnH8(SO6)2" +mp-601616,Mn5H8SO12,-6.5305429808,-1.2825199338,0.4016649718,0.4016649718,GGA+U,P-1,A8B5C12D_aP52_2_8i_5i_12i_i:H-Mn-O-S,52.0,"Invalid WP multiplicities - A8B5C12D_aP52_2_14i_10i_24i_i:H-Mn-O-S, expected Mn10H14SO24 to be Mn5H8SO12" +mp-1181150,Mn5H8SO12,-6.66487371,-1.416850663,0.2673342426,0.2673342426,GGA+U,P-1,A8B5C12D_aP52_2_8i_5i_12i_i:H-Mn-O-S,52.0,"Invalid WP multiplicities - A8B5C12D_aP52_2_14i_10i_24i_i:H-Mn-O-S, expected Mn10H14SO24 to be Mn5H8SO12" +mp-1196354,Mn5H8SO12,-6.9262167869,-1.6781937399,0.0059911657,0.0059911657,GGA+U,P-1,A8B5C12D_aP52_2_8i_5i_12i_i:H-Mn-O-S,52.0,A8B5C12D_aP52_2_8i_5i_12i_i:H-Mn-O-S +mp-1205048,CaMn2(H2O3)4,-6.030303375,-1.3854467072,0.0845568924,0.0845568924,GGA+U,Pccn,AB8C2D12_oP92_56_c_4e_e_6e:Ca-H-Mn-O,92.0,AB8C2D12_oP92_56_c_4e_e_6e:Ca-H-Mn-O +mp-24071,MnH6(SO4)4,-6.3044279317,-1.666976435,0.0,-0.0101896985,GGA+U,P2_1/c,A6BC16D4_mP54_14_3e_a_8e_2e:H-Mn-O-S,54.0,"Invalid WP multiplicities - A6BC16D4_mP54_14_3e_a_11e_2e:H-Mn-O-S, expected MnH6(S2O11)2 to be MnH6(SO4)4" +mp-696075,Ca2H2S2O9,-6.5569778304,-2.3176611648,0.0747031624,0.0747031624,GGA,C2,A2B2C9D2_mC90_5_ab2c_3c_a13c_3c:Ca-H-O-S,45.0,A2B2C9D2_mC90_5_ab2c_3c_a13c_3c:Ca-H-O-S +mp-698074,Ca2H2S2O9,-6.6115391131,-2.3722224474,0.0201418797,0.0201418797,GGA,C2,A2B2C9D2_mC90_5_ab2c_3c_a13c_3c:Ca-H-O-S,45.0,A2B2C9D2_mC90_5_ab2c_3c_a13c_3c:Ca-H-O-S +mp-1200626,Ca2H2S2O9,-6.59201958,-2.3527029143,0.0396614128,0.0396614128,GGA,P3_1,A2B2C9D2_hP45_144_2a_2a_9a_2a:Ca-H-O-S,45.0,A2B2C9D2_hP45_144_2a_2a_9a_2a:Ca-H-O-S +mp-643427,MnH2SO5,-6.7854965494,-1.8057897933,0.0,-0.0148551558,GGA+U,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-S,36.0,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-S +mp-1202814,MnP2(HO4)2,-7.1750546438,-2.0713944834,0.0728535447,0.0728535447,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:H-Mn-O-P,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:H-Mn-O-P +mp-1198455,MnPHO3,-7.5602796552,-2.0922613256,0.0,-0.0207464577,GGA+U,P2_1/c,ABC3D_mP48_14_2e_2e_6e_2e:H-Mn-O-P,48.0,ABC3D_mP48_14_2e_2e_6e_2e:H-Mn-O-P +mp-1195975,Mn5P4(H3O10)2,-7.425264707,-2.0894527932,0.0742585789,0.0742585789,GGA+U,C2/c,A6B5C20D4_mC140_15_3f_e2f_10f_2f:H-Mn-O-P,70.0,A6B5C20D4_mC140_15_3f_e2f_10f_2f:H-Mn-O-P +mp-1201303,MnP3(HO2)6,-6.8012234984,-2.0231078795,0.0184406789,0.0184406789,GGA+U,P2/c,A6BC12D3_mP44_13_3g_a_6g_eg:H-Mn-O-P,44.0,A6BC12D3_mP44_13_3g_a_6g_eg:H-Mn-O-P +mp-728654,Mn5P4(HO2)10,-7.2057016929,-2.0691806375,0.0029344772,0.0029344772,GGA+U,C2/c,A10B5C20D4_mC156_15_5f_e2f_10f_2f:H-Mn-O-P,78.0,A10B5C20D4_mC156_15_5f_e2f_10f_2f:H-Mn-O-P +mp-721692,MnP2(H4O5)2,-6.4571212055,-1.8572490256,0.0,-0.0010668055,GGA+U,P2_1/c,A8BC10D2_mP42_14_4e_a_5e_e:H-Mn-O-P,42.0,A8BC10D2_mP42_14_4e_a_5e_e:H-Mn-O-P +mp-1195060,MnP2(HO)4,-6.3524148611,-1.5027531038,0.0069391978,0.0069391978,GGA+U,R-3,A4BC4D2_hR198_148_4f_f_4f_2f:H-Mn-O-P,66.0,A4BC4D2_hR198_148_4f_f_4f_2f:H-Mn-O-P +mp-735547,MnP(HO)7,-5.8524321463,-1.292980828,0.4363399832,0.4363399832,GGA+U,Pbca,A7BC7D_oP128_61_7c_c_7c_c:H-Mn-O-P,128.0,A7BC7D_oP128_61_7c_c_7c_c:H-Mn-O-P +mp-1182381,MnP(HO)7,-6.2760340041,-1.7165826859000002,0.0127381254,0.0127381254,GGA+U,Pbca,A7BC7D_oP128_61_7c_c_7c_c:H-Mn-O-P,128.0,A7BC7D_oP128_61_7c_c_7c_c:H-Mn-O-P +mp-805339,MnPHO5,-4.4533314825,0.8843544425000001,2.9758414252,2.9758414252,GGA+U,P-1,ABC5D_aP16_2_i_be_5i_i:H-Mn-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_be_9i_i:H-Mn-O-P, expected MnPHO9 to be MnPHO5" +mp-1385813,MnPHO5,-4.652563795,0.68512213,2.7766091127,2.7766091127,GGA+U,P-1,ABC5D_aP16_2_i_ab_5i_i:H-Mn-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_i_ab_9i_i:H-Mn-O-P, expected MnPHO9 to be MnPHO5" +mp-743651,MnP2H4O5,-6.1697543313,-1.3120069944,0.378196159,0.378196159,GGA+U,P2_1/c,A4BC5D2_mP48_14_4e_e_5e_2e:H-Mn-O-P,48.0,A4BC5D2_mP48_14_4e_e_5e_2e:H-Mn-O-P +mp-745163,Mn2Cu5P4(HO9)2,-6.9797132726,-1.9378060838,0.0154596177,0.0154596177,GGA+U,P-1,A5B2C2D18E4_aP31_2_a2i_i_i_9i_2i:Cu-H-Mn-O-P,31.0,A5B2C2D18E4_aP31_2_a2i_i_i_9i_2i:Cu-H-Mn-O-P +mp-734805,MnP2HO7,-7.6264915736,-2.3530218164,0.0,-0.0121318329,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:H-Mn-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:H-Mn-O-P +mp-1210970,MnP2H6O5,-6.0422062382,-1.3937476574,0.0671650125,0.0671650125,GGA+U,P2_1/c,A6BC5D2_mP56_14_6e_e_5e_2e:H-Mn-O-P,56.0,A6BC5D2_mP56_14_6e_e_5e_2e:H-Mn-O-P +mp-1210948,MnP2HO8,-6.9486431967,-1.7024051933000002,0.4545314718,0.4545314718,GGA+U,P2_1/c,ABC8D2_mP24_14_a_d_4e_e:H-Mn-O-P,24.0,ABC8D2_mP24_14_a_d_4e_e:H-Mn-O-P +mp-729046,Mn7P6(HO6)4,-7.9668444949,-2.3837870477,0.0,-0.002452314,GGA+U,P-1,A4B7C24D6_aP41_2_2i_a3i_12i_3i:H-Mn-O-P,41.0,A4B7C24D6_aP41_2_2i_a3i_12i_3i:H-Mn-O-P +mp-23895,MnPH2O5,-7.2109479369,-2.0893686653,0.0,-0.03318691,GGA+U,C2/c,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-P,36.0,A2BC5D_mC36_15_f_c_e2f_e:H-Mn-O-P +mp-865024,MnP2H2O7,-7.4035194844,-2.2867783699,0.0,-0.0124807116,GGA+U,C2/c,A2BC7D2_mC48_15_f_a_e3f_f:H-Mn-O-P,48.0,A2BC7D2_mC48_15_f_a_e3f_f:H-Mn-O-P +mp-859125,Mn6P4H2O17,-8.1829288262,-2.4069128965,0.0098798297,0.0098798297,GGA+U,Cc,A2B6C17D4_mC116_9_2a_6a_17a_4a:H-Mn-O-P,58.0,"Invalid WP multiplicities - A2B6C17D4_mC116_9_3a_12a_34a_8a:H-Mn-O-P, expected Mn12P8H3O34 to be Mn6P4H2O17" +mp-2217188,K3MgVO4,-5.7433494978,-1.9875564082,0.215637754,0.215637754,GGA+U,I222,A3BC4D_oI18_23_af_c_k_b:K-Mg-O-V,9.0,A3BC4D_oI18_23_af_c_k_b:K-Mg-O-V +mp-2241486,K4MgV2O7,-6.4714609829,-2.2688532002,0.1135363102,0.1135363102,GGA+U,P1,A4BC7D2_aP14_1_4a_a_7a_2a:K-Mg-O-V,14.0,A4BC7D2_aP14_1_4a_a_7a_2a:K-Mg-O-V +mp-2228443,K4MgV2O7,-6.4134820264,-2.2108742438,0.1715152666,0.1715152666,GGA+U,Cm,A4BC7D2_mC28_8_4a_a_3a2b_2a:K-Mg-O-V,14.0,"Invalid WP multiplicities - A4BC7D2_mC28_8_4a_a_3a4b_2a:K-Mg-O-V, expected K4MgV2O11 to be K4MgV2O7" +mp-2227554,K4MgV2O7,-6.3930421421,-2.1904343595,0.1919551509,0.1919551509,GGA+U,C2/m,A4BC7D2_mC28_12_aci_b_dij_i:K-Mg-O-V,14.0,"Invalid WP multiplicities - A4BC7D2_mC28_12_adi_b_c2i3j_i:K-Mg-O-V, expected K4MgV2O17 to be K4MgV2O7" +mp-1104228,K3ErV2O8,-7.42401182,-2.7354234285,0.0,-0.028284257,GGA+U,P-3m1,AB3C8D2_hP14_164_a_bd_di_d:Er-K-O-V,14.0,AB3C8D2_hP14_164_a_bd_di_d:Er-K-O-V +mp-19459,K2MgV2O7,-7.2810280667,-2.5630521448,0.0,-0.0308077629,GGA+U,P4_2/mnm,A2BC7D2_tP48_136_fg_d_ejk_j:K-Mg-O-V,48.0,"Invalid WP multiplicities - A2BC7D2_tP48_136_fg_d_ej2k_j:K-Mg-O-V, expected K2MgV2O11 to be K2MgV2O7" +mp-1028334,KMg14V,-1.8424527587,0.1949363486,0.2112130693,0.2112130693,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-V,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-V, expected KMg18V to be KMg14V" +mp-1028323,KMg14V,-1.8495597975,0.1878293098,0.2041060306,0.2041060306,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-V,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-V, expected KMg26V to be KMg14V" +mp-2232219,K3MgV3O8,-7.034695572,-2.2509152526,0.2318277243,0.2318277243,GGA+U,C2/m,A3BC8D3_mC30_12_ci_b_2ij_ai:K-Mg-O-V,15.0,"Invalid WP multiplicities - A3BC8D3_mC30_12_ci_a_3i3j_bi:K-Mg-O-V, expected K3MgV3O18 to be K3MgV3O8" +mp-2232149,K3ErMgV2O8,-7.0236911887,-2.5409900199,0.1901011501,0.1901011501,GGA+U,C2/m,AB3CD8E2_mC30_12_a_ci_b_2ij_i:Er-K-Mg-O-V,15.0,"Invalid WP multiplicities - AB3CD8E2_mC30_12_b_ci_a_3i2j_i:Er-K-Mg-O-V, expected K3ErMgV2O14 to be K3ErMgV2O8" +mp-1233188,K4MgV6O16,-7.5983546348,-2.4245645741,0.0844849174,0.0844849174,GGA+U,P1,A4BC16D6_aP27_1_4a_a_16a_6a:K-Mg-O-V,27.0,A4BC16D6_aP27_1_4a_a_16a_6a:K-Mg-O-V +mp-1233717,K4MgV6O16,-7.5928686641,-2.4190786034,0.0899708882,0.0899708882,GGA+U,P1,A4BC16D6_aP27_1_4a_a_16a_6a:K-Mg-O-V,27.0,A4BC16D6_aP27_1_4a_a_16a_6a:K-Mg-O-V +mp-1233977,K4MgV6O16,-7.5231255378,-2.3493354771,0.1597140145,0.1597140145,GGA+U,Cm,A4BC16D6_mC54_8_2ab_a_4a6b_2a2b:K-Mg-O-V,27.0,"Invalid WP multiplicities - A4BC16D6_mC54_8_2a2b_a_4a9b_2a3b:K-Mg-O-V, expected K6MgV8O22 to be K4MgV6O16" +mp-1234660,K4MgV6O16,-7.537352567,-2.3635625064,0.1454869852,0.1454869852,GGA+U,Cmm2,A4BC16D6_oC54_35_de_a_abcde2f_cde:K-Mg-O-V,27.0,"Invalid WP multiplicities - A4BC16D6_oC54_35_2de_a_abcd2e4f_c2d2e:K-Mg-O-V, expected K6MgV10O26 to be K4MgV6O16" +mp-2216234,K4MgV6O16,-7.5232855341,-2.3494954734,0.1595540182,0.1595540182,GGA+U,P4,A4BC16D6_tP27_75_d_a_abc3d_abd:K-Mg-O-V,27.0,"Invalid WP multiplicities - A4BC16D6_tP27_75_d_a_abc4d_abd:K-Mg-O-V, expected K4MgV6O20 to be K4MgV6O16" +mp-2232080,K4MgV4O10,-7.0180719195,-2.1841568021,0.2451185197,0.2451185197,GGA+U,P1,A4BC10D4_aP19_1_4a_a_10a_4a:K-Mg-O-V,19.0,A4BC10D4_aP19_1_4a_a_10a_4a:K-Mg-O-V +mp-2230340,K4MgV4O10,-6.8558348958,-2.0219197784,0.4073555433,0.4073555433,GGA+U,Cm,A4BC10D4_mC38_8_2b_a_2a4b_2ab:K-Mg-O-V,19.0,"Invalid WP multiplicities - A4BC10D4_mC38_8_3b_a_2a6b_2ab:K-Mg-O-V, expected K6MgV4O14 to be K4MgV4O10" +mp-1205280,KMgV5O22,-6.6794700405,-1.2671472476,0.496697324,0.496697324,GGA+U,P-1,ABC22D5_aP58_2_i_i_22i_5i:K-Mg-O-V,58.0,ABC22D5_aP58_2_i_i_22i_5i:K-Mg-O-V +mp-2218493,Er2MgV2O8,-8.3554375285,-3.0879729515,0.1391961791,0.1391961791,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Er-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_8c_c:Er-Mg-O-V, expected Er2MgV2O16 to be Er2MgV2O8" +mp-2218423,Er2MgV2O8,-8.3487588008,-3.0812942238,0.1458749068,0.1458749068,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Er-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_7c_ab:Er-Mg-O-V, expected Er2MgV2O14 to be Er2MgV2O8" +mp-1021701,KMg6V,-2.0910554638,0.3834427009,0.3973941758,0.3973941758,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-V,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-V, expected KMg12V to be KMg6V" +mp-1021848,KMg6V,-2.1980117925,0.2764863721,0.2904378471,0.2904378471,GGA,P4/mmm,AB6C_tP8_123_a_fk_c:K-Mg-V,8.0,AB6C_tP8_123_a_fk_c:K-Mg-V +mp-723781,MoPH3O7,-6.9862372321,-1.8975745879,0.0,-0.0007150778,GGA+U,P2_1/m,A3BC7D_mP24_11_3e_e_5ef_e:H-Mo-O-P,24.0,A3BC7D_mP24_11_3e_e_5ef_e:H-Mo-O-P +mp-1213052,Na3Mo9P(H5O17)2,-6.5802511219,-1.1573317183,0.7136422153,0.7136422153,GGA+U,P6_3,A10B9C3D34E_hP114_173_a3c_3c_c_b11c_b:H-Mo-Na-O-P,114.0,A10B9C3D34E_hP114_173_a3c_3c_c_b11c_b:H-Mo-Na-O-P +mp-1212469,Mo12PH13O40,-6.7875522544,-1.0673387565,0.7351100331,0.7351100331,GGA+U,P-1,A13B12C40D_aP132_2_13i_12i_40i_i:H-Mo-O-P,132.0,A13B12C40D_aP132_2_13i_12i_40i_i:H-Mo-O-P +mp-532545,K2ZrFe(PO4)3,-7.8156088828,-2.8240987887,0.0021713374,-0.0029901931,GGA+U,P2_1,AB2C12D3E_mP152_4_4a_8a_48a_12a_4a:Fe-K-O-P-Zr,152.0,AB2C12D3E_mP152_4_8a_16a_96a_24a_8a:Fe-K-O-P-Zr +mp-1211889,K2ZrFe(PO4)3,-7.8177802203,-2.8262701261,0.0,-0.0051615305,GGA+U,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Fe-K-O-P-Zr,76.0,AB2C12D3E_cP76_198_a_2a_4b_b_a:Fe-K-O-P-Zr +mp-1195252,SrVCuHO5,-6.9743143133,-2.1966725584,0.0090786311,0.0090786311,GGA+U,P2_12_12_1,ABC5DE_oP36_19_a_a_5a_a_a:Cu-H-O-Sr-V,36.0,ABC5DE_oP36_19_a_a_5a_a_a:Cu-H-O-Sr-V +mp-1198198,Si4SnH35(C6N)2,-5.2675669745,-0.2328775058,0.076317544,0.076317544,GGA,P-1,A12B35C2D4E_aP216_2_24i_70i_4i_8i_2i:C-H-N-Si-Sn,216.0,A12B35C2D4E_aP216_2_24i_70i_4i_8i_2i:C-H-N-Si-Sn +mp-1246146,SiSnN2,-7.145440595,-0.6184706612,0.139625145,0.139625145,GGA,Ima2,A2BC_oI16_46_ab_b_b:N-Si-Sn,8.0,A2BC_oI16_46_ab_b_b:N-Si-Sn +mp-1246131,SiSnN2,-7.1058089256,-0.5788389919,0.1792568144,0.1792568144,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Si-Sn,64.0,A2BC_oP64_61_4c_2c_2c:N-Si-Sn +mp-1247141,Si2Sn5N6,-6.4319554042,-0.2075350285,0.2589854677,0.2589854677,GGA,C2/c,A6B2C5_mC52_15_3f_f_e2f:N-Si-Sn,26.0,A6B2C5_mC52_15_3f_f_e2f:N-Si-Sn +mp-1245434,Si7SnN10,-8.0680183014,-1.1040323394,0.0752278036,0.0752278036,GGA,Pc,A10B7C_mP36_7_10a_7a_a:N-Si-Sn,36.0,A10B7C_mP36_7_10a_7a_a:N-Si-Sn +mp-818385,Rb3V2ZnP4O17,-7.3006914958,-2.5556516408,0.0374392917,0.0374392917,GGA+U,P2_12_12_1,A17B4C3D2E_oP108_19_17a_4a_3a_2a_a:O-P-Rb-V-Zn,108.0,A17B4C3D2E_oP108_19_17a_4a_3a_2a_a:O-P-Rb-V-Zn +mp-1196298,V4Pb3O3F19,-6.1975129588,-2.7964187517,0.0,-0.0082950717,GGA+U,P31c,A19B3C3D4_hP58_159_b6c_c_c_bc:F-O-Pb-V,58.0,A19B3C3D4_hP58_159_b6c_c_c_bc:F-O-Pb-V +mp-1208227,V3Pb5F19,-5.9440712109,-2.9021062501,0.0201442765,0.0201442765,GGA+U,I4cm,A19B5C3_tI108_108_a3c3d_bd_ac:F-Pb-V,54.0,A19B5C3_tI108_108_a3c3d_bd_ac:F-Pb-V +mp-1208828,VPbF5,-6.1475193868,-2.9540982471,0.0366787132,0.0366787132,GGA+U,I4,A5BC_tI112_79_2ab9c_2c_2abc:F-Pb-V,56.0,A5BC_tI112_79_2ab9c_2c_2abc:F-Pb-V +mp-1104916,V2Pb(OF4)2,-6.3781225792,-2.7576865506,0.0,-0.0270149796,GGA+U,P-1,A8B2CD2_aP13_2_4i_i_a_i:F-O-Pb-V,13.0,A8B2CD2_aP13_2_4i_i_a_i:F-O-Pb-V +mp-1195199,VPbSeO5F,-6.732719855,-1.9618990615,0.0,-0.0116499484,GGA+U,Pbca,AB5CDE_oP72_61_c_5c_c_c_c:F-O-Pb-Se-V,72.0,AB5CDE_oP72_61_c_5c_c_c_c:F-O-Pb-Se-V +mp-1197244,V3Pb5O12F,-7.2189021024,-2.1195355756,0.0124989017,-0.0080433921,GGA+U,P6_3/m,AB12C5D3_hP42_176_b_2hi_fh_h:F-O-Pb-V,42.0,AB12C5D3_hP42_176_b_2hi_fh_h:F-O-Pb-V +mp-1207903,V3Pb5O12F,-7.231401004,-2.1320344773,0.0,-0.0205422938,GGA+U,P6_3/m,AB12C5D3_hP42_176_a_2hi_fh_h:F-O-Pb-V,42.0,AB12C5D3_hP42_176_a_2hi_fh_h:F-O-Pb-V +mp-1195912,VPbOF5,-6.1534638722,-2.7408842861,0.0026875378,0.0026875378,GGA+U,Pbcm,A5BCD_oP32_57_d2e_d_c_d:F-O-Pb-V,32.0,A5BCD_oP32_57_d2e_d_c_d:F-O-Pb-V +mp-557777,K2ScSi4O10F,-7.8301035922,-3.2949421923,0.0,-0.0389787538,GGA,I4/m,AB2C10DE4_tI72_87_ab_h_h2i_e_i:F-K-O-Sc-Si,36.0,"Invalid WP multiplicities - AB2C10DE4_tI72_87_ab_h_4h8i_e_i:F-K-O-Sc-Si, expected K2ScSi4O40F to be K2ScSi4O10F" +mp-759931,Ti2V3Cr(PO4)6,-8.390315645,-2.726535261,0.0767976648,0.0767976648,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cr-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Cr-O-P-Ti-V, expected Ti2V3Cr(PO10)6 to be Ti2V3Cr(PO4)6" +mp-1101282,Ti3V2Cr(PO4)6,-8.4925560494,-2.8617871669,0.0,-0.0013284112,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Cr-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Cr-O-P-Ti-V, expected Ti3V2Cr(PO10)6 to be Ti3V2Cr(PO4)6" +mp-882198,TiV3Cr2(PO4)6,-8.3660199483,-2.6534185795000003,0.0740397226,0.0740397226,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cr-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cr-O-P-Ti-V, expected TiV3Cr2(PO10)6 to be TiV3Cr2(PO4)6" +mp-1101287,Ti3VCr2(PO4)6,-8.4495568547,-2.8029784889,0.0433284135,0.0433284135,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Cr-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Cr-O-P-Ti-V, expected Ti3VCr2(PO10)6 to be Ti3VCr2(PO4)6" +mp-556562,LiAsH6(OF2)3,-5.064564635,-1.933191842,0.0143106854,0.0143106854,GGA,P6_3mc,AB6C6DE3_hP34_186_b_2c_d_a_c:As-F-H-Li-O,34.0,"Invalid WP multiplicities - AB6C6DE3_hP34_186_b_6c_d_a_c:As-F-H-Li-O, expected LiAsH6(OF6)3 to be LiAsH6(OF2)3" +mp-697263,LiAsH2OF6,-5.0154911059,-2.3092132988,0.0012611416,0.0012611416,GGA,Imma,AB6C2DE_oI44_74_a_hj_h_c_e:As-F-H-Li-O,22.0,AB6C2DE_oI44_74_a_hj_h_c_e:As-F-H-Li-O +mp-766966,K2InH2Cl5O,-4.116690482,-1.7578445070000002,0.0,-0.0010694373,GGA,Pnma,A5B2CD2E_oP44_62_3cd_d_c_d_c:Cl-H-In-K-O,44.0,"Invalid WP multiplicities - A5B2CD2E_oP44_62_9c4d_d_c_d_c:Cl-H-In-K-O, expected K2InH2Cl17O to be K2InH2Cl5O" +mp-1201210,InH6(ClO)3,-4.6962265173,-1.350556047,0.0,-0.0194125129,GGA,P2_1/c,A3B6CD3_mP104_14_6e_12e_2e_6e:Cl-H-In-O,104.0,A3B6CD3_mP104_14_6e_12e_2e_6e:Cl-H-In-O +mp-726598,K2InCl5O,-3.3354550125,-1.2063601641,0.5516493455,0.5516493455,GGA,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-In-K-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-In-K-O +mp-556047,K2OsCBr5O,-4.8927950145,-1.3539288967,0.0,-0.0051305566,GGA,Pnma,A5BC2DE_oP40_62_3cd_c_d_c_c:Br-C-K-O-Os,40.0,"Invalid WP multiplicities - A5BC2DE_oP40_62_11c6d_c_d_c_c:Br-C-K-O-Os, expected K2OsCBr23O to be K2OsCBr5O" +mp-680415,Os3C10(BrO5)2,-7.8191487202,-0.6774806807,0.4450627139,0.4450627139,GGA,Cc,A2B10C10D3_mC100_9_2a_10a_10a_3a:Br-C-O-Os,50.0,"Invalid WP multiplicities - A2B10C10D3_mC100_9_3a_19a_18a_6a:Br-C-O-Os, expected Os6C19(BrO6)3 to be Os3C10(BrO5)2" +mp-1209399,RbH2CN5,-6.8734932742,-0.3538125764,0.0063119253,0.0063119253,GGA,Pnma,AB2C5D_oP36_62_c_d_c2d_c:C-H-N-Rb,36.0,AB2C5D_oP36_62_c_d_c2d_c:C-H-N-Rb +mp-1201627,RbH4CN3,-5.8492036206,-0.4281382294,0.0134041447,0.0134041447,GGA,Pnma,AB4C3D_oP36_62_c_2d_cd_c:C-H-N-Rb,36.0,AB4C3D_oP36_62_c_2d_cd_c:C-H-N-Rb +mp-644494,Rb2H4Pd,-3.3327527271,-0.3739164221,0.0,-0.0782124119,GGA,P4_2/mnm,A4BC2_tP14_136_ef_a_d:H-Pd-Rb,14.0,A4BC2_tP14_136_ef_a_d:H-Pd-Rb +mp-1209885,Rb2HPd(CN)4,-6.7699612604,-0.0371014546,0.3083573884,0.3083573884,GGA,Pnna,A4BC4DE2_oP48_52_2e_d_2e_a_cd:C-H-N-Pd-Rb,48.0,A4BC4DE2_oP48_52_2e_d_2e_a_cd:C-H-N-Pd-Rb +mp-643022,Rb3H5Pd,-3.1229942433,-0.3357593264,0.0076623256,0.0076623256,GGA,P4/mbm,A5BC3_tP18_127_ak_c_bg:H-Pd-Rb,18.0,A5BC3_tP18_127_ak_c_bg:H-Pd-Rb +mp-555366,LiHo(PO3)4,-7.7911350647,-2.929756937,0.0027478144,0.0027478144,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Ho-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_4f:Ho-Li-O-P, expected LiHo(P4O21)2 to be LiHo(PO3)4" +mp-768200,Li2HoPCO7,-7.5887989079,-2.7830452761,0.0962367813,0.0962367813,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ho-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ho-Li-O-P, expected Li2HoPCO13 to be Li2HoPCO7" +mp-1224117,HgH2SO5,-5.3890552567,-1.3936079369,0.0160740998,0.0160740998,GGA,Pna2_1,A2BC5D_oP36_33_2a_a_5a_a:H-Hg-O-S,36.0,"Invalid WP multiplicities - A2BC5D_oP36_33_2a_a_10a_a:H-Hg-O-S, expected HgH2SO10 to be HgH2SO5" +mp-510344,Co2Hg2H2S2O11,-5.7334852833,-1.2968577061,0.161471629,0.161471629,GGA+U,Pbcm,A2B2C2D11E2_oP76_57_e_e_2d_c2d4e_e:Co-H-Hg-O-S,76.0,A2B2C2D11E2_oP76_57_e_e_2d_c2d4e_e:Co-H-Hg-O-S +mp-1214084,Co2Hg2H3(SO5)2,-5.3390503459,-0.9842102774,0.4769100339,0.4769100339,GGA+U,Pbcm,A2B3C2D10E2_oP76_57_e_ce_2d_2d4e_e:Co-H-Hg-O-S,76.0,A2B3C2D10E2_oP76_57_e_ce_2d_2d4e_e:Co-H-Hg-O-S +mp-721053,Hg3H4S2O11,-5.20107822,-1.3426571784,0.002856577,0.002856577,GGA,C2/c,A4B3C11D2_mC80_15_2f_cf_e5f_f:H-Hg-O-S,40.0,A4B3C11D2_mC80_15_2f_af_e5f_f:H-Hg-O-S +mp-1224582,K3Na(B3O5)4,-7.9122943221,-2.8083999441,0.0023986893,0.0023986893,GGA,P1,A12B3CD20_aP108_1_36a_9a_3a_60a:B-K-Na-O,108.0,A12B3CD20_aP108_1_36a_9a_3a_60a:B-K-Na-O +mp-1224320,K3Na9Sr4(BO2)20,-7.4636284549,-2.8130063212,0.0009133018,0.0009133018,GGA,P1,A20B3C9D40E4_aP76_1_20a_3a_9a_40a_4a:B-K-Na-O-Sr,76.0,A20B3C9D40E4_aP76_1_20a_3a_9a_40a_4a:B-K-Na-O-Sr +mp-8263,KNa2BO3,-5.876978065,-2.2662770024,0.0,-0.0714578631,GGA,Pmmn,ABC2D3_oP14_59_a_b_e_af:B-K-Na-O,14.0,"Invalid WP multiplicities - ABC2D3_oP14_59_a_b_e_a2f:B-K-Na-O, expected KNa2BO5 to be KNa2BO3" +mp-1223494,KNaSr8(BO3)6,-7.3801716862,-3.1135358246,0.0091247801,0.0091247801,GGA,Pm,A6BCD18E8_mP34_6_2a2bc_a_b_2a2b7c_ab3c:B-K-Na-O-Sr,34.0,"Invalid WP multiplicities - A6BCD18E8_mP34_6_2a2bc_a_b_2a2b13c_ab5c:B-K-Na-O-Sr, expected KNaSr12(BO5)6 to be KNaSr8(BO3)6" +mp-558293,K2Na(B3O5)3,-7.9150103418,-2.8091518309,0.0,-0.0004128318,GGA,P2_1/c,A9B2CD15_mP108_14_9e_2e_e_15e:B-K-Na-O,108.0,"Invalid WP multiplicities - A9B2CD15_mP108_14_35e_6e_e_58e:B-K-Na-O, expected K6NaB35O58 to be K2Na(B3O5)3" +mp-554346,KSr4(BO3)3,-7.3867083041,-3.1263114527,0.0,-0.0401855159,GGA,Ama2,A3BC9D4_oC68_40_a2b_b_a2b3c_abc:B-K-O-Sr,34.0,"Invalid WP multiplicities - A3BC9D4_oC68_40_2a4b_b_a3b10c_2ab3c:B-K-O-Sr, expected KSr9(BO4)6 to be KSr4(BO3)3" +mp-556250,KSrB5O9,-8.0045401436,-2.9597245401,0.0,-0.0090053293,GGA,P2_1/c,A5BC9D_mP64_14_5e_e_9e_e:B-K-O-Sr,64.0,"Invalid WP multiplicities - A5BC9D_mP64_14_18e_e_33e_e:B-K-O-Sr, expected KSr(B6O11)3 to be KSrB5O9" +mp-1105719,K2CrOF5,-5.6422228717,-2.7113418814,0.0566514217,0.0566514217,GGA+U,C2/c,AB5C2D_mC36_15_e_e2f_f_e:Cr-F-K-O,18.0,AB5C2D_mC36_15_e_e2f_f_e:Cr-F-K-O +mp-1223481,KCrNiF6,-5.945442275,-2.8329470637,0.0115250242,0.0115250242,GGA+U,Imma,AB6CD_oI36_74_a_2ej_e_c:Cr-F-K-Ni,18.0,"Invalid WP multiplicities - AB6CD_oI36_74_a_4e2j_e_c:Cr-F-K-Ni, expected KCrNiF12 to be KCrNiF6" +mp-1223546,KCrO3F,-6.6767326983,-2.0909007786,0.0136846187,0.0136846187,GGA+U,P1,ABCD3_aP12_1_2a_2a_2a_6a:Cr-F-K-O,12.0,ABCD3_aP12_1_2a_2a_2a_6a:Cr-F-K-O +mp-1223657,KCrNiOF6,-5.619344075,-2.3234295137,0.2365953654,0.2365953654,GGA+U,Imma,AB6CDE_oI40_74_a_2ej_b_c_e:Cr-F-K-Ni-O,20.0,"Invalid WP multiplicities - AB6CDE_oI40_74_a_4e4j_b_c_e:Cr-F-K-Ni-O, expected KCrNiOF20 to be KCrNiOF6" +mp-1103927,K2Cr2NiO10,-6.494171188,-1.3759100796,0.2032045916,0.2032045916,GGA+U,P-1,A2B2CD10_aP15_2_i_i_a_5i:Cr-K-Ni-O,15.0,A2B2CD10_aP15_2_i_i_a_5i:Cr-K-Ni-O +mp-1020662,Rb4B2S4O17,-6.6209049615,-2.2534817248,0.0,-0.0028368892,GGA,Pnna,A2B17C4D4_oP108_52_e_c8e_cde_2e:B-O-Rb-S,108.0,A2B17C4D4_oP108_52_e_c8e_cde_2e:B-O-Rb-S +mp-1201123,RbB6S2(Cl3O2)2,-5.5447206063,-1.3232595939,0.5303246551,0.5303246551,GGA,Pna2_1,A6B6C4DE2_oP152_33_12a_12a_8a_2a_4a:B-Cl-O-Rb-S,152.0,A6B6C4DE2_oP152_33_12a_12a_8a_2a_4a:B-Cl-O-Rb-S +mp-9047,RbBS3,-5.0318684225,-1.0180133337,0.0,-0.0313473371,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:B-Rb-S,20.0,ABC3_mP20_14_e_e_3e:B-Rb-S +mp-1020716,Rb3B(SO4)3,-6.4982969178,-2.2145807007,0.0,-0.0007500886,GGA,Ibca,AB12C3D3_oI152_73_d_6f_cf_cf:B-O-Rb-S,76.0,AB12C3D3_oI152_73_d_6f_cf_cf:B-O-Rb-S +mp-15013,RbBS2,-5.1163123817,-1.1331059874,0.0,-0.0747725637,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-Rb-S,24.0,ABC2_hR72_167_e_e_2e:B-Rb-S +mp-31060,Rb4(BS)9,-5.5740130866,-0.9710716762,0.0,-0.0912851702,GGA,P-1,A9B4C9_aP44_2_9i_4i_9i:B-Rb-S,44.0,A9B4C9_aP44_2_9i_4i_9i:B-Rb-S +mp-29977,Rb3BS3,-4.3901060146,-1.2429140734,0.0,-0.097824918,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:B-Rb-S,28.0,AB3C3_mP28_14_e_3e_3e:B-Rb-S +mp-1204072,RbHfC(OF)4,-6.8684517577,-2.5412645477,0.2294462172,0.2294462172,GGA,P2_1/c,AB4CD4E_mP44_14_e_4e_e_4e_e:C-F-Hf-O-Rb,44.0,AB4CD4E_mP44_14_e_4e_e_4e_e:C-F-Hf-O-Rb +mp-17256,Rb2Hf3OF12,-7.2822646133,-3.9646495269,0.0,-0.0260909887,GGA,R-3m,A12B3CD2_hR108_166_f3h_h_c_abc:F-Hf-O-Rb,36.0,"Invalid WP multiplicities - A12B3CD2_hR108_166_f4h_h_c_abc:F-Hf-O-Rb, expected Rb2Hf3OF15 to be Rb2Hf3OF12" +mp-1194884,H42C48Xe(ClO2)3,-6.3673306909,-0.1600071515,0.213125001,0.213125001,GGA,P-1,A48B3C42D6E_aP200_2_48i_3i_42i_6i_i:C-Cl-H-O-Xe,200.0,A48B3C42D6E_aP200_2_48i_3i_42i_6i_i:C-Cl-H-O-Xe +mp-1212280,Na2UMo2H3O11,-6.7597762601,-1.4850649562,0.7488084274,0.7488084274,GGA+U,P2_1/c,A3B2C2D11E_mP76_14_3e_2e_2e_11e_e:H-Mo-Na-O-U,76.0,A3B2C2D11E_mP76_14_3e_2e_2e_11e_e:H-Mo-Na-O-U +mp-1208512,UMo2H2O9,-7.7958336225,-1.7752364281,0.516387218,0.516387218,GGA+U,C2/c,A2B2C9D_mC168_15_3f_3f_e13f_ef:H-Mo-O-U,84.0,A2B2C9D_mC168_15_3f_3f_e13f_ef:H-Mo-O-U +mp-1195013,Na2Pd(S4O13)2,-6.2940475857,-1.7121438607,0.0,-0.0162432979,GGA,P2_1/c,A2B26CD8_mP74_14_e_13e_a_4e:Na-O-Pd-S,74.0,A2B26CD8_mP74_14_e_13e_a_4e:Na-O-Pd-S +mp-707021,Na6H2Pd(S2O7)2,-5.6468642791,-1.7320521648,0.2557994327,0.2557994327,GGA,I4_1/a,A2B6C14DE4_tI216_88_f_3f_7f_ab_2f:H-Na-O-Pd-S,108.0,A2B6C14DE4_tI216_88_f_3f_7f_ab_2f:H-Na-O-Pd-S +mp-1201925,H2Pd(S2O7)2,-6.167957695,-1.5124922033,0.005761829,0.005761829,GGA,P2_1/c,A2B14CD4_mP42_14_e_7e_a_2e:H-O-Pd-S,42.0,A2B14CD4_mP42_14_e_7e_a_2e:H-O-Pd-S +mp-1210788,Mn2Tl2(SO4)3,-6.9177914532,-1.9273213998,0.0,-0.0184562943,GGA+U,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Mn-O-S-Tl,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:Mn-O-S-Tl +mp-1197777,MnTl2H12(SO7)2,-5.7841965768,-1.5220496149,0.0020953687,0.0020953687,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-S-Tl,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-S-Tl +mp-1203967,KMo2C4ClO8,-7.3424094137,-1.0212589458,0.6833005778,0.6833005778,GGA+U,P-1,A4BCD2E8_aP32_2_4i_i_i_2i_8i:C-Cl-K-Mo-O,32.0,A4BCD2E8_aP32_2_4i_i_i_2i_8i:C-Cl-K-Mo-O +mp-1203538,KMo2C4O11,-7.5927114817,-1.2521594283,0.5863350752,0.5863350752,GGA+U,P-1,A4BC2D11_aP36_2_4i_i_2i_11i:C-K-Mo-O,36.0,A4BC2D11_aP36_2_4i_i_2i_11i:C-K-Mo-O +mp-559914,K2MoCl5O,-4.8775350792,-1.849110633,0.0,-0.0018100278,GGA+U,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-Mo-O,36.0,"Invalid WP multiplicities - A5B2CD_oP36_62_11c7d_d_c_c:Cl-K-Mo-O, expected K2MoCl25O to be K2MoCl5O" +mp-1199178,K2Mo(CO4)2,-7.0062830071,-1.537260801,0.4717502561,0.4717502561,GGA+U,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:C-K-Mo-O,52.0,A2B2CD8_mP52_14_2e_2e_e_8e:C-K-Mo-O +mp-558030,KMo2Cl7O2,-5.4063634312,-1.6034606638,0.0273706055,0.0273706055,GGA+U,C2/c,A7BC2D2_mC48_15_e3f_e_f_f:Cl-K-Mo-O,24.0,"Invalid WP multiplicities - A7BC2D2_mC48_15_2e11f_e_f_f:Cl-K-Mo-O, expected KMo2(Cl12O)2 to be KMo2Cl7O2" +mp-699552,KMoCl4O,-5.1791577936,-1.7081743067,0.0217166882,0.0217166882,GGA+U,P2_1/c,A4BCD_mP56_14_8e_2e_2e_2e:Cl-K-Mo-O,56.0,"Invalid WP multiplicities - A4BCD_mP56_14_28e_6e_5e_5e:Cl-K-Mo-O, expected K6Mo5Cl28O5 to be KMoCl4O" +mp-1212036,K2Mo2C4O15,-7.385578482,-1.5148354058,0.4346877524,0.4346877524,GGA+U,P2_1/c,A4B2C2D15_mP46_14_2e_e_e_a7e:C-K-Mo-O,46.0,A4B2C2D15_mP46_14_2e_e_e_a7e:C-K-Mo-O +mp-559331,K2MoC2O9,-6.7913688496,-1.3596561789,0.5109175767,0.5109175767,GGA+U,P2_1/c,A2B2CD9_mP56_14_2e_2e_e_9e:C-K-Mo-O,56.0,"Invalid WP multiplicities - A2B2CD9_mP56_14_4e_6e_e_35e:C-K-Mo-O, expected K6MoC4O35 to be K2MoC2O9" +mp-1202863,NaMgP(CO3)2,-7.2486758978,-2.1147148885,0.207978668,0.207978668,GGA,Pbca,A2BCD6E_oP88_61_2c_c_c_6c_c:C-Mg-Na-O-P,88.0,A2BCD6E_oP88_61_2c_c_c_6c_c:C-Mg-Na-O-P +mp-1200361,MgP(CO4)2,-6.8587781035,-1.4384095009,0.8156147986000001,0.8156147986000001,GGA,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:C-Mg-O-P,48.0,A2BC8D_mP48_14_2e_e_8e_e:C-Mg-O-P +mp-1197911,MgP(CO3)2,-7.4009419675,-1.8858373866,0.4206643882,0.4206643882,GGA,Pbca,A2BC6D_oP80_61_2c_c_6c_c:C-Mg-O-P,80.0,A2BC6D_oP80_61_2c_c_6c_c:C-Mg-O-P +mp-771336,Na3MgPCO7,-6.7295665996,-2.5113631451,0.0240611565,-0.0043503368,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Mg-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Mg-Na-O-P, expected Na5MgPCO13 to be Na3MgPCO7" +mp-768154,Na3MgPCO7,-6.7536277562,-2.5354243017,0.0,-0.0284114933,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mg-Na-O-P,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mg-Na-O-P +mp-1037752,YMg30CoO32,-6.4235280538,-2.987946348,0.0504387044,0.0504387044,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Y, expected YMg90CoO80 to be YMg30CoO32" +mp-1037750,YMg30CoO32,-6.4253631939,-2.9897814882,0.0486035642,0.0486035642,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Y, expected YMg110CoO72 to be YMg30CoO32" +mp-2236590,YCo(WO4)2,-8.9008178842,-2.3121046293,0.1373008632,0.1373008632,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Co-O-W-Y,12.0,AB8C2D_aP12_1_a_8a_2a_a:Co-O-W-Y +mp-1047173,YCo(WO4)2,-8.9132095233,-2.3244962685,0.1249092241,0.1249092241,GGA+U,P-1,AB8C2D_aP12_2_b_4i_i_d:Co-O-W-Y,12.0,"Invalid WP multiplicities - AB8C2D_aP12_2_b_8i_i_d:Co-O-W-Y, expected YCo(WO8)2 to be YCo(WO4)2" +mp-1042205,YCo(WO4)2,-9.0063070579,-2.4175938031,0.0318116895,0.0318116895,GGA+U,P2,AB8C2D_mP24_3_ad_8e_2e_bc:Co-O-W-Y,24.0,"Invalid WP multiplicities - AB8C2D_mP24_3_ac_10e_2e_bd:Co-O-W-Y, expected YCo(WO5)2 to be YCo(WO4)2" +mp-1032731,YMg6CoO8,-6.7397712612,-2.8178975801,0.1735217313,0.1735217313,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Y, expected YMg6CoO12 to be YMg6CoO8" +mp-1032787,YMg6CoO8,-6.6869376744,-2.7650639932,0.2263553182,0.2263553182,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Y, expected YMg6CoO12 to be YMg6CoO8" +mp-1036059,YMg14CoO16,-6.5146729888,-2.9169939579,0.1057358475,0.1057358475,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Y, expected YMg18CoO20 to be YMg14CoO16" +mp-1036070,YMg14CoO16,-6.5174772091,-2.9197981782,0.1029316272,0.1029316272,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Y, expected YMg30CoO32 to be YMg14CoO16" +mp-2220033,YMgCo(WO4)2,-8.6197617769,-2.4147741532,0.143850208,0.143850208,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y +mp-2219877,YMgCo(WO4)2,-8.4656541438,-2.2606665201,0.2979578411,0.2979578411,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y +mp-2220046,YMgCo(WO4)2,-8.5945859485,-2.3895983247,0.1690260364,0.1690260364,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Co-Mg-O-W-Y +mp-2217541,Y2Mg(CoO3)2,-7.9000652736,-2.5882479887,0.2396215467,0.2396215467,GGA+U,P3m1,A2BC6D2_hP11_156_ab_a_2a2b2c_2c:Co-Mg-O-Y,11.0,A2BC6D2_hP11_156_ab_a_2a2b2c_2c:Co-Mg-O-Y +mp-21913,NaPWO6,-7.9186059015,-2.4325958685,0.0091806528,0.0091806528,GGA+U,P2_1/c,AB6CD_mP72_14_2e_12e_2e_2e:Na-O-P-W,72.0,"Invalid WP multiplicities - AB6CD_mP72_14_2e_15e_2e_2e:Na-O-P-W, expected Na2P2W2O15 to be NaPWO6" +mp-1220992,NaP2W7O25,-8.7732503577,-2.3011572235,0.0035746682,0.0035746682,GGA+U,P1,AB25C2D7_aP35_1_a_25a_2a_7a:Na-O-P-W,35.0,AB25C2D7_aP35_1_a_25a_2a_7a:Na-O-P-W +mp-1197089,Na2LuPWO8,-7.8230608696,-2.8145267516,0.0065080754,0.0065080754,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Lu-Na-O-P-W,52.0,AB2C8DE_oI104_73_c_f_4f_c_d:Lu-Na-O-P-W +mp-555944,NaP(WO4)2,-8.3473622033,-2.3285623742,0.027961969,0.027961969,GGA+U,P2_1/m,AB8CD2_mP24_11_e_a3e2f_e_2e:Na-O-P-W,24.0,"Invalid WP multiplicities - AB8CD2_mP24_11_e_2a6e5f_e_3e:Na-O-P-W, expected NaP(WO6)3 to be NaP(WO4)2" +mp-541643,Na5Lu(WO4)4,-7.8734379598,-2.4075488334,0.012907965,0.012907965,GGA+U,I4_1/a,AB5C16D4_tI104_88_a_bf_4f_f:Lu-Na-O-W,52.0,AB5C16D4_tI104_88_a_bf_4f_f:Lu-Na-O-W +mp-1221142,NaP4(W3O11)4,-8.8074930136,-2.3135979091,0.0061645114,0.0061645114,GGA+U,P1,AB44C4D12_aP61_1_a_44a_4a_12a:Na-O-P-W,61.0,AB44C4D12_aP61_1_a_44a_4a_12a:Na-O-P-W +mp-9007,Na6P4W,-4.2756545582,-0.4077916475,0.0,-0.0559364615,GGA,P6_3mc,A6B4C_hP22_186_2c_bc_b:Na-P-W,22.0,"Invalid WP multiplicities - A6B4C_hP22_186_3c_b2c_b:Na-P-W, expected Na9P7W to be Na6P4W" +mp-1047440,Ca2YVO5,-8.1078990439,-3.1862300995,0.1089604012,0.1089604012,GGA+U,Ima2,A2B5CD_oI36_46_c_b2c_a_b:Ca-O-V-Y,18.0,A2B5CD_oI36_46_c_b2c_a_b:Ca-O-V-Y +mp-1517862,CaEuYVO6,-8.831540975,-3.0822298619,0.2020999829,0.2020999829,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Eu-O-V-Y +mp-541747,MgGeH12(OF)6,-5.2582848375,-1.8703992022,0.0,-0.0052732984,GGA,P2_1/c,A6BC12DE6_mP52_14_3e_a_6e_d_3e:F-Ge-H-Mg-O,52.0,A6BC12DE6_mP52_14_3e_a_6e_b_3e:F-Ge-H-Mg-O +mp-560872,Mg10Ge3(H2O9)2,-6.3615115544,-2.5762776959,0.0,-0.0105258441,GGA,Pnnm,A3B4C10D18_oP70_58_ag_h_efgh_3g3h:Ge-H-Mg-O,70.0,"Invalid WP multiplicities - A3B4C10D18_oP70_58_2a2g_h_4e4f3g6h_11g19h:Ge-H-Mg-O, expected Mg23Ge3H2O49 to be Mg10Ge3(H2O9)2" +mp-1197895,Mo2C5N3O14,-7.4333872759,-0.6793141753,0.932751628,0.932751628,GGA+U,Pnma,A5B2C3D14_oP96_62_c2d_d_cd_2c6d:C-Mo-N-O,96.0,A5B2C3D14_oP96_62_c2d_d_cd_2c6d:C-Mo-N-O +mp-1181538,FeMo6C8(NO10)2,-7.7110928689,-0.6035250342,0.9994418927,0.9994418927,GGA+U,C2/m,A8BC6D2E20_mC74_12_2ij_a_ij_i_4i3j:C-Fe-Mo-N-O,37.0,A8BC6D2E20_mC74_12_2ij_a_ij_i_4i3j:C-Fe-Mo-N-O +mp-1180910,Mo2C4NO7,-8.0544734125,-0.7995249772,0.660404544,0.660404544,GGA+U,P-1,A4B2CD7_aP56_2_8i_4i_2i_14i:C-Mo-N-O,56.0,A4B2CD7_aP56_2_8i_4i_2i_14i:C-Mo-N-O +mp-1196795,Mo2C4NO7,-7.5783091398,-0.3233607046,1.1365688167,1.1365688167,GGA+U,P-1,A4B2CD7_aP56_2_8i_4i_2i_14i:C-Mo-N-O,56.0,A4B2CD7_aP56_2_8i_4i_2i_14i:C-Mo-N-O +mp-1196074,ZnFe2H28(S2O15)2,-5.7572557943,-1.478139239,0.0049116293,0.0049116293,GGA+U,P-1,A2B28C30D4E_aP65_2_i_14i_15i_2i_a:Fe-H-O-S-Zn,65.0,A2B28C30D4E_aP65_2_i_14i_15i_2i_a:Fe-H-O-S-Zn +mp-1179238,ZnFe(SO8)2,-5.2787807951,-0.4212965984,0.7285160958,0.7285160958,GGA+U,P2_1/c,AB16C2D_mP80_14_ab_16e_2e_e:Fe-O-S-Zn,80.0,AB16C2D_mP80_14_ab_16e_2e_e:Fe-O-S-Zn +mp-1200031,ZnFe(SO8)2,-5.256300242,-0.3988160453,0.7509966490000001,0.7509966490000001,GGA+U,P2_1/c,AB16C2D_mP80_14_ab_16e_2e_e:Fe-O-S-Zn,80.0,AB16C2D_mP80_14_ab_16e_2e_e:Fe-O-S-Zn +mp-559405,RbU2SbS8,-6.3826681425,-1.3173386202,0.0,-0.0063693935,GGA,Cm,AB8CD2_mC24_8_a_2a3b_a_b:Rb-S-Sb-U,12.0,"Invalid WP multiplicities - AB8CD2_mC24_8_a_2a6b_a_b:Rb-S-Sb-U, expected RbU2SbS14 to be RbU2SbS8" +mp-1071765,USbS,-7.6544061433,-1.1354524377,0.0,-0.0199483336,GGA,P4/nmm,ABC_tP6_129_c_a_c:S-Sb-U,6.0,ABC_tP6_129_c_a_c:S-Sb-U +mp-1207278,U2SbS2,-6.68434004,0.3126041587,1.643441668,1.643441668,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:S-Sb-U,5.0,A2BC2_tP5_123_g_a_g:S-Sb-U +mp-1195451,Rb6U3Sb2(PS4)8,-5.4413631823,-1.0553190109,0.0,-0.0367034458,GGA,R-3c,A8B6C32D2E3_hR306_167_cf_f_c5f_c_e:P-Rb-S-Sb-U,102.0,A8B6C32D2E3_hR306_167_cf_f_c5f_c_e:P-Rb-S-Sb-U +mp-1522214,BaSrYVO6,-8.035645266,-3.1517474816,0.1116455274,0.1116455274,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-V-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-V-Y +mp-1517134,Sr2YVO6,-8.008350258,-3.1474006223,0.1157905964,0.1157905964,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-Y,10.0,A6B2CD_cF40_225_e_c_a_b:O-Sr-V-Y +mp-1047261,Sr2YV2O7,-8.049734525,-2.8297269301,0.2815460156,0.2815460156,GGA+U,Ima2,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-V-Y,24.0,A7B2C2D_oI48_46_b3c_c_c_a:O-Sr-V-Y +mp-1047231,Sr2Y2V2O7,-8.2781757104,-2.9622863064,0.1811002988,0.1811002988,GGA+U,Ima2,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-V-Y,26.0,A7B2C2D2_oI52_46_b3c_c_c_ab:O-Sr-V-Y +mp-1195610,Ca2H26I4O13,-4.9744931127,-1.3651043221,0.0030992205,0.0030992205,GGA,C2/c,A2B26C4D13_mC180_15_f_13f_2f_e6f:Ca-H-I-O,90.0,A2B26C4D13_mC180_15_f_13f_2f_e6f:Ca-H-I-O +mp-721650,CaH14I10O7,-4.0900232847,-1.0005155038,0.0215988943,0.0215988943,GGA,P-1,AB14C10D7_aP64_2_i_14i_10i_7i:Ca-H-I-O,64.0,AB14C10D7_aP64_2_i_14i_10i_7i:Ca-H-I-O +mp-707754,CaH2I2O7,-5.3213836842,-1.4576665468,0.0179896363,0.0179896363,GGA,P2_1/c,AB2C2D7_mP48_14_e_2e_2e_7e:Ca-H-I-O,48.0,AB2C2D7_mP48_14_e_2e_2e_7e:Ca-H-I-O +mp-1191939,AlH6IO4,-5.3799748983,-1.5998037904,0.0,-0.0428427551,GGA,C2/c,AB6CD4_mC48_15_e_3f_e_2f:Al-H-I-O,24.0,AB6CD4_mC48_15_e_3f_e_2f:Al-H-I-O +mp-1195969,CaH14I2O7,-4.9786565933,-1.3504350021,0.0123841953,0.0123841953,GGA,P2_1/c,AB14C2D7_mP192_14_2e_28e_4e_14e:Ca-H-I-O,192.0,AB14C2D7_mP192_14_2e_28e_4e_14e:Ca-H-I-O +mp-677248,Ca2AlH10IO8,-5.6475343032000005,-1.8870382995,0.0,-0.0073710683,GGA,P1,AB2C10DE8_aP22_1_a_2a_10a_a_8a:Al-Ca-H-I-O,22.0,AB2C10DE8_aP22_1_a_2a_10a_a_8a:Al-Ca-H-I-O +mp-1194535,CaH16(IO4)2,-5.0036473617,-1.3440377694,0.0098075194,0.0098075194,GGA,P-1,AB16C2D8_aP54_2_i_16i_2i_8i:Ca-H-I-O,54.0,AB16C2D8_aP54_2_i_16i_2i_8i:Ca-H-I-O +mp-758253,CaH12(IO6)2,-5.2335438869,-1.3437176033,0.0243818227,0.0243818227,GGA,Fdd2,AB12C2D12_oF216_43_a_6b_b_6b:Ca-H-I-O,54.0,"Invalid WP multiplicities - AB12C2D12_oF216_43_a_21b_b_21b:Ca-H-I-O, expected CaH42(IO21)2 to be CaH12(IO6)2" +mp-698021,CaH12(IO7)2,-5.2143418233,-1.2516284758,0.0221192657,0.0221192657,GGA,C2/c,AB12C2D14_mC116_15_e_6f_f_7f:Ca-H-I-O,58.0,AB12C2D14_mC116_15_e_6f_f_7f:Ca-H-I-O +mp-1195076,K2MnV14O40,-7.999405544,-2.0972117438,0.1183107322,0.1183107322,GGA+U,I4/mmm,A2BC40D14_tI114_139_c_a_2eilm2n_ehn:K-Mn-O-V,57.0,A2BC40D14_tI114_139_c_a_2eilm2n_ehn:K-Mn-O-V +mp-19228,K2MnV4O12,-8.0318805484,-2.3961593905000003,0.0,-0.0120695788,GGA+U,P2_1/c,A2BC12D4_mP38_14_e_a_6e_2e:K-Mn-O-V,38.0,"Invalid WP multiplicities - A2BC12D4_mP38_14_e_a_7e_2e:K-Mn-O-V, expected K2MnV4O14 to be K2MnV4O12" +mp-1211605,KRbMnV2O7,-7.7278577425,-2.39055929,0.0014079191,0.0014079191,GGA+U,P4_2/mnm,ABC7DE2_tP48_136_f_d_ejk_g_j:K-Mn-O-Rb-V,48.0,ABC7DE2_tP48_136_f_d_ejk_g_j:K-Mn-O-Rb-V +mp-18251,K2MnV2O7,-7.7423485708,-2.3942280454,0.0,-0.0309775156,GGA+U,P-42_1m,A2BC7D2_tP24_113_e_a_cef_e:K-Mn-O-V,24.0,A2BC7D2_tP24_113_e_a_cef_e:K-Mn-O-V +mp-556213,KMnVO4,-7.9179798523,-2.3261119732,0.0089199434,0.0089199434,GGA+U,P2_1/c,ABC4D_mP112_14_4e_4e_16e_4e:K-Mn-O-V,112.0,"Invalid WP multiplicities - ABC4D_mP112_14_16e_13e_63e_13e:K-Mn-O-V, expected K16Mn13V13O63 to be KMnVO4" +mp-850910,Na6V2As(CO4)4,-7.1115402905,-2.0486518886,0.050200333,0.050200333,GGA+U,Fd-3,AB4C6D16E2_cF232_203_a_e_f_eg_d:As-C-Na-O-V,58.0,"Invalid WP multiplicities - AB4C6D16E2_cF232_203_a_e_f_6e7g_d:As-C-Na-O-V, expected Na6V2As(CO27)4 to be Na6V2As(CO4)4" +mp-774241,NaVAsCO7,-7.3619988255,-2.0055409855,0.0502117795,0.0502117795,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:As-C-Na-O-V,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:As-C-Na-O-V, expected NaVAsCO13 to be NaVAsCO7" +mp-771012,Na2VAsCO7,-7.1557080125,-2.1354112181,0.0,-0.0444899982,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Na-O-V,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Na-O-V +mp-17507,NaVAsO5,-7.1376552431,-2.1627810775,0.0,-0.0500648791,GGA+U,P2_1/c,ABC5D_mP32_14_e_e_5e_e:As-Na-O-V,32.0,ABC5D_mP32_14_e_e_5e_e:As-Na-O-V +mp-771270,Na3VAsCO7,-6.8087541908,-2.072901358,0.0457865302,0.0457865302,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-C-Na-O-V,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-C-Na-O-V +mp-1217004,V4Fe2HO12,-8.2218807139,-2.1151092782,0.0448249824,0.0448249824,GGA+U,P2_1,A2BC12D4_mP38_4_2a_a_12a_4a:Fe-H-O-V,38.0,A2BC12D4_mP38_4_2a_a_12a_4a:Fe-H-O-V +mp-24102,VFeH2O5,-7.2588162744,-1.8062803938,0.0112426651,0.0112426651,GGA+U,P-1,AB2C5D_aP18_2_i_2i_5i_i:Fe-H-O-V,18.0,"Invalid WP multiplicities - AB2C5D_aP18_2_i_2i_8i_i:Fe-H-O-V, expected VFe(HO4)2 to be VFeH2O5" +mp-1192499,Ba2V2FeHO9,-7.7922619673,-2.5663481223,0.0,-0.0091274927,GGA+U,P2_1/m,A2BCD9E2_mP30_11_2e_a_e_5e2f_2e:Ba-Fe-H-O-V,30.0,A2BCD9E2_mP30_11_2e_a_e_5e2f_2e:Ba-Fe-H-O-V +mp-776367,Li4V3Ni3(WO8)2,-7.7630743775,-2.1455351076,0.0228053358,0.0228053358,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-V-W,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Ni-O-V-W, expected Li4V3Ni3(WO10)2 to be Li4V3Ni3(WO8)2" +mp-1202810,Ca2VP3O11,-7.9590644782,-3.0326768798,0.0009719343,0.0009719343,GGA+U,P2_1/c,A2B11C3D_mP68_14_2e_11e_3e_e:Ca-O-P-V,68.0,A2B11C3D_mP68_14_2e_11e_3e_e:Ca-O-P-V +mp-1047854,CaV3P3O13,-8.310365880199999,-2.8201569374,0.0220986931,0.0220986931,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Ca-O-P-V,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Ca-O-P-V, expected CaV5P3O34 to be CaV3P3O13" +mp-1369469,CaVP2O7,-8.0532220377,-2.9129554975,0.0024106455,0.0024106455,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-V,44.0,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-V +mp-1042009,CaVP2O7,-8.0219835136,-2.8817169734,0.0336491695,0.0336491695,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-V,44.0,AB7C2D_aP22_2_i_7i_2i_i:Ca-O-P-V +mp-1048348,CaVP2O7,-8.0289443836,-2.8886778434,0.0266882995,0.0266882995,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Ca-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Ca-O-P-V, expected CaVP7O23 to be CaVP2O7" +mp-1101285,V5Ni(PO4)6,-8.1789692728,-2.5567467411,0.057658829,0.057658829,GGA+U,R3,AB24C6D5_hR108_146_a_8b_2b_5a:Ni-O-P-V,36.0,"Invalid WP multiplicities - AB24C6D5_hR108_146_a_20b_2b_5a:Ni-O-P-V, expected V5Ni(PO10)6 to be V5Ni(PO4)6" +mp-1233384,CaV4(PO5)4,-8.0487970566,-2.5685140079,0.0931068478,0.0931068478,GGA+U,P-1,AB20C4D4_aP29_2_c_10i_2i_bei:Ca-O-P-V,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_d_20i_2i_ac2i:Ca-O-P-V, expected CaV6(PO10)4 to be CaV4(PO5)4" +mp-1234231,CaV4(PO5)4,-8.0799880034,-2.5997049548,0.0619159009,0.0619159009,GGA+U,P-1,AB20C4D4_aP29_2_a_10i_2i_bei:Ca-O-P-V,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_a_20i_2i_ae2i:Ca-O-P-V, expected CaV6(PO10)4 to be CaV4(PO5)4" +mp-1214166,CaV2(PO4)3,-8.1343103842,-2.8135557133,0.0095887367,0.0095887367,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Ca-O-P-V,72.0,AB12C3D2_mP72_14_e_12e_3e_2e:Ca-O-P-V +mp-772873,V2Ni(PO4)3,-8.0415311872,-2.5110800275000003,0.0158264046,0.0158264046,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Ni-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Ni-O-P-V, expected V2Ni(PO26)3 to be V2Ni(PO4)3" +mp-774649,V3Ni(PO4)6,-7.8097914159,-2.3911973276,0.0420651448,0.0420651448,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Ni-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Ni-O-P-V, expected V3Ni(PO10)6 to be V3Ni(PO4)6" +mp-1333286,CaV2Ni2(P2O9)2,-7.7582968354,-2.4832119387,0.0310084855,0.0310084855,GGA+U,Pmc2_1,AB2C18D4E2_oP54_26_a_c_5a5b4c_2a2b_ab:Ca-Ni-O-P-V,54.0,"Invalid WP multiplicities - AB2C18D4E2_oP54_26_a_c_6a9b12c_3a3b_a2b:Ca-Ni-O-P-V, expected CaV3Ni2(P2O13)3 to be CaV2Ni2(P2O9)2" +mp-768351,VNi5(PO4)6,-7.3625949142,-2.1074578703,0.0803440771,0.0803440771,GGA+U,R3,A5B24C6D_hR108_146_5a_8b_2b_a:Ni-O-P-V,36.0,"Invalid WP multiplicities - A5B24C6D_hR108_146_5a_20b_2b_a:Ni-O-P-V, expected VNi5(PO10)6 to be VNi5(PO4)6" +mp-1216512,V3NiP2,-8.0757752,-0.7660318828,0.0088681967,0.0088681967,GGA,Pm,AB2C3_mP18_6_3a_4a2b_3a6b:Ni-P-V,18.0,AB2C3_mP18_6_3a_4a2b_3a6b:Ni-P-V +mp-1045800,CaV(PO3)4,-7.9186430864,-2.8018108357,0.0,-0.0033325723,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-V,36.0,AB12C4D_mC72_15_e_6f_2f_c:Ca-O-P-V +mp-21646,CaVNiP2O9,-7.8650539986,-2.706736424,0.0,-0.026292227,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-V,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-V +mp-1350888,VNiP2O9,-7.6150415256,-2.2142072052,0.0748393949,0.0748393949,GGA+U,Pnma,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-V,52.0,AB9C2D_oP52_62_a_5c2d_2c_c:Ni-O-P-V +mp-1103470,VNiP,-7.5218327025,-0.7627176169000001,0.0,-0.0883976097,GGA,Pnma,ABC_oP12_62_c_c_c:Ni-P-V,12.0,ABC_oP12_62_c_c_c:Ni-P-V +mp-646633,V2Ni(PO5)2,-8.0789577273,-2.4628616643,0.006174458,-0.0229094291,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-V,30.0,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-V +mp-554784,V2Ni(PO5)2,-8.0851321853,-2.4690361223,0.0,-0.0290838871,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_15e_e_e:Ni-O-P-V, expected V2Ni(PO15)2 to be V2Ni(PO5)2" +mp-646579,V2Ni(PO5)2,-7.7678276033,-2.1517315403,0.317304582,0.2882206949,GGA+U,P2_1/c,AB10C2D2_mP30_14_a_5e_e_e:Ni-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_mP30_14_a_16e_e_e:Ni-O-P-V, expected V2Ni(PO16)2 to be V2Ni(PO5)2" +mp-1650144,VNi(PO4)2,-7.6645156817,-2.2258358939,0.2135714003,0.2135714003,GGA+U,P-1,AB8C2D_aP24_2_i_8i_2i_i:Ni-O-P-V,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-V +mp-1101213,VNi(PO4)2,-7.8345092358,-2.3958294481,0.0435778461,0.0435778461,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-V,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Ni-O-P-V +mp-681165,CaV2(PO5)2,-8.1426454423,-2.7781851659,0.033376525,0.0208883421,GGA+U,P1,AB10C2D2_aP30_1_2a_20a_4a_4a:Ca-O-P-V,30.0,AB10C2D2_aP30_1_2a_20a_4a_4a:Ca-O-P-V +mp-556243,CaV2(PO5)2,-8.1760219673,-2.8115616909,0.0,-0.0124881829,GGA+U,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Ca-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Ca-O-P-V, expected CaV2(PO14)2 to be CaV2(PO5)2" +mp-775192,VNi3(PO4)4,-7.4757958817,-2.1747731518,0.0860284296,0.0860284296,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-V,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Ni-O-P-V +mp-30540,V(NiP4)4,-5.9672373157,-0.3092709873,0.0086630192,0.0086630192,GGA,C2/c,A4B16C_mC84_15_2f_8f_e:Ni-P-V,42.0,"Invalid WP multiplicities - A4B16C_mC84_15_3f_9f_e:Ni-P-V, expected V(NiP3)6 to be V(NiP4)4" +mp-1101186,V3Ni(PO4)4,-8.1089803146,-2.5326434689,0.0380125322,0.0380125322,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Ni-O-P-V,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Ni-O-P-V +mp-1216521,V2NiP,-7.764398145,-0.4240853133,0.2221940959,0.2221940959,GGA,P4/mmm,ABC2_tP4_123_a_c_e:Ni-P-V,4.0,ABC2_tP4_123_a_c_e:Ni-P-V +mp-1044537,CaV3(P2O7)2,-8.2160073461,-2.7539996155,0.0117495267,0.0117495267,GGA+U,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-V,44.0,AB14C4D3_mP44_14_a_7e_2e_be:Ca-O-P-V +mp-1049264,CaV2(PO4)2,-8.2228803779,-2.794147553,0.0470248557,0.0470248557,GGA+U,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Ca-O-P-V,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Ca-O-P-V, expected Ca2V7(PO5)12 to be CaV2(PO4)2" +mp-21541,CaV2P2O9,-8.2967071284,-2.9024060259,0.0,-0.0269218929,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Ca-O-P-V,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Ca-O-P-V, expected CaV2P2O11 to be CaV2P2O9" +mp-850580,V3FeSn2(PO4)6,-7.9116012397,-2.4965671497,0.0591860967,0.0591860967,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Fe-O-P-Sn-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Fe-O-P-Sn-V, expected V3FeSn2(PO10)6 to be V3FeSn2(PO4)6" +mp-774750,V2Fe3Sn(PO4)6,-7.9457601817,-2.4238770779,0.0583833431,0.0583833431,GGA+U,R3,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Sn-V,36.0,"Invalid WP multiplicities - A3B24C6DE2_hR108_146_3a_20b_2b_a_2a:Fe-O-P-Sn-V, expected V2Fe3Sn(PO10)6 to be V2Fe3Sn(PO4)6" +mp-696998,K6BiH3(Cl2F)4,-4.0785718439,-2.1187868395,0.000798582,-0.0391288095,GGA,P6_3mc,AB8C4D3E6_hP44_186_a_2b2c_bc_c_2c:Bi-Cl-F-H-K,44.0,AB8C4D3E6_hP44_186_a_2b2c_bc_c_2c:Bi-Cl-F-H-K +mp-723540,K6BiH3(Cl2F)4,-4.0793704259,-2.1195854215,0.0,-0.0399273916,GGA,P6_3/mmc,AB8C4D3E6_hP44_194_a_fk_ch_h_gh:Bi-Cl-F-H-K,44.0,AB8C4D3E6_hP44_194_a_fk_ch_h_gh:Bi-Cl-F-H-K +mp-1247049,KSrN,-3.8488705767,-0.1367414682,0.3326770307,0.3326770307,GGA,R3m,ABC_hR9_160_a_a_a:K-N-Sr,3.0,ABC_hR9_160_a_a_a:K-N-Sr +mp-12161,K2SrCu(NO2)6,-6.5103763673,-1.1745249081,0.1333355035,0.1333355035,GGA,Fmmm,AB2C6D12E_oF88_69_a_f_ghi_mno_b:Cu-K-N-O-Sr,22.0,"Invalid WP multiplicities - AB2C6D12E_oF88_69_a_f_2g2hi_3m4n3o_b:Cu-K-N-O-Sr, expected K2SrCu(NO4)10 to be K2SrCu(NO2)6" +mp-18423,CsYbP2O7,-7.2184542202,-2.8649599798,0.0,-0.0212396382,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Yb,,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Yb +mp-10767,CsK2Yb(PO4)2,-6.7285472564,-2.79598131,0.0,-0.0791328043,GGA,P-3m1,AB2C8D2E_hP14_164_a_d_di_d_b:Cs-K-O-P-Yb,,AB2C8D2E_hP14_164_a_d_di_d_b:Cs-K-O-P-Yb +mp-862678,Sb2H8Pt(OF3)4,-5.0707499056,-1.9524000309,0.0207094208,0.0207094208,GGA,P-1,A12B8C4DE2_aP27_2_6i_4i_2i_a_i:F-H-O-Pt-Sb,27.0,"Invalid WP multiplicities - A12B8C4DE2_aP27_2_11i_7i_3i_a_i:F-H-O-Pt-Sb, expected Sb2H14Pt(O3F11)2 to be Sb2H8Pt(OF3)4" +mp-757836,BeH2SeO4,-5.9488898672,-1.7229484575,0.0,-0.0331832987,GGA,P2_12_12_1,AB2C4D_oP32_19_a_2a_4a_a:Be-H-O-Se,32.0,"Invalid WP multiplicities - AB2C4D_oP32_19_a_5a_13a_a:Be-H-O-Se, expected BeH5SeO13 to be BeH2SeO4" +mp-542813,K2BeH4(SeO5)2,-5.6614779788,-1.6620135048,0.0,-0.017839149,GGA,P2_1/c,AB4C2D10E2_mP76_14_e_4e_2e_10e_2e:Be-H-K-O-Se,76.0,AB4C2D10E2_mP76_14_e_4e_2e_10e_2e:Be-H-K-O-Se +mp-708961,BeH8SeO8,-5.5758162785,-1.4674472567,0.0,-0.0432276797,GGA,Cmce,AB8C8D_oC144_64_f_4g_2f3g_d:Be-H-O-Se,72.0,AB8C8D_oC144_64_f_4g_2f3g_d:Be-H-O-Se +mp-553977,K4NpS2ClO10,-6.7573564233,-2.4808175914,0.0,-0.0252788428,GGA,P2/c,AB4CD10E2_mP36_13_e_2g_f_5g_g:Cl-K-Np-O-S,36.0,"Invalid WP multiplicities - AB4CD10E2_mP36_13_e_6g_f_16g_g:Cl-K-Np-O-S, expected K12NpS2ClO32 to be K4NpS2ClO10" +mp-24577,NiSnH12(OF)6,-5.2444359546,-1.7193810643,0.0,-0.0196189244,GGA+U,R-3,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Ni-O-Sn,104.0,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Ni-O-Sn +mp-560023,NiSnF6,-5.2969282013,-2.6396054088,0.0,-0.0764025812,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Ni-Sn,8.0,A6BC_hR24_148_f_a_b:F-Ni-Sn +mp-1210687,NiSn2(OF)6,-5.2192703693,-1.5560512718,0.2734043197,0.2734043197,GGA+U,P-1,A6BC6D2_aP15_2_3i_a_3i_i:F-Ni-O-Sn,15.0,A6BC6D2_aP15_2_3i_a_3i_i:F-Ni-O-Sn +mp-735541,NiSn2H12(OF)6,-5.234303234,-1.6913032709,0.0,-0.0078358962,GGA+U,P-1,A6B12CD6E2_aP27_2_3i_6i_a_3i_i:F-H-Ni-O-Sn,108.0,A6B12CD6E2_aP27_2_3i_6i_a_3i_i:F-H-Ni-O-Sn +mp-1213529,Ni3SnH12(OF)6,-5.0067612054,-1.3206290444,0.2796622122,0.2796622122,GGA+U,P-1,A6B12C3D6E_aP28_2_3i_6i_bcd_3i_a:F-H-Ni-O-Sn,28.0,A6B12C3D6E_aP28_2_3i_6i_bcd_3i_a:F-H-Ni-O-Sn +mp-1103621,TaTl(PO4)2,-8.1457887592,-2.7607441358,0.0,-0.0044560921,GGA,P-3m1,A8B2CD_hP12_164_di_d_a_b:O-P-Ta-Tl,12.0,A8B2CD_hP12_164_di_d_a_b:O-P-Ta-Tl +mp-696762,TlP2H5O8,-6.2689983969,-1.9110991422,0.0,-0.0072463305,GGA,C2/c,A5B8C2D_mC64_15_e2f_4f_f_a:H-O-P-Tl,32.0,A5B8C2D_mC64_15_e2f_4f_f_c:H-O-P-Tl +mp-1196113,TlP(HO2)2,-6.2188300077,-1.9253109341,0.0015372477,-0.0167091577,GGA,P-1,A2B4CD_aP64_2_8i_16i_4i_4i:H-O-P-Tl,64.0,A2B4CD_aP64_2_8i_16i_4i_4i:H-O-P-Tl +mp-1216736,TlP(HO2)2,-6.2183566228,-1.9248375493,0.0020106325,-0.0162357728,GGA,Pc,A2B4CD_mP32_7_4a_8a_2a_2a:H-O-P-Tl,32.0,"Invalid WP multiplicities - A2B4CD_mP32_7_5a_12a_3a_3a:H-O-P-Tl, expected Tl3P3H5O12 to be TlP(HO2)2" +mp-690711,TlP(HO2)2,-6.2161527109,-1.9226336374,0.0042145444,-0.0140318609,GGA,P2_1/c,A2B4CD_mP32_14_abe_4e_e_e:H-O-P-Tl,32.0,A2B4CD_mP32_14_ade_4e_e_e:H-O-P-Tl +mp-697267,TlP(HO2)2,-6.2203672553,-1.9268481818,0.0,-0.0182464053,GGA,P2_1/c,A2B4CD_mP64_14_4e_8e_2e_2e:H-O-P-Tl,64.0,A2B4CD_mP64_14_4e_8e_2e_2e:H-O-P-Tl +mp-643701,TlP(HO2)2,-6.2110889072,-1.9175698336,0.0092783481,-0.0089680572,GGA,Pbcn,A2B4CD_oP32_60_ac_2d_c_c:H-O-P-Tl,32.0,A2B4CD_oP32_60_ac_2d_c_c:H-O-P-Tl +mp-1199029,TlP2HO7,-6.783231362,-2.1278863453,0.0,-0.0301748608,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:H-O-P-Tl,44.0,AB7C2D_mP44_14_e_7e_2e_e:H-O-P-Tl +mp-1190230,TlPHO3,-6.2205248892,-1.8857352505,0.0292877959,0.0292877959,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:H-O-P-Tl,24.0,AB3CD_mP24_14_e_3e_e_e:H-O-P-Tl +mp-758895,Ta2Tl2P7HO24,-7.8746678533,-2.640023014,0.0,-0.027671518,GGA,P2_1/m,AB24C7D2E2_mP72_11_e_2e11f_e3f_f_2e:H-O-P-Ta-Tl,72.0,"Invalid WP multiplicities - AB24C7D2E2_mP72_11_e_4e21f_2e5f_f_3e:H-O-P-Ta-Tl, expected Ta2Tl3P12HO46 to be Ta2Tl2P7HO24" +mp-680168,K2Re3C2Se5N2,-7.2711773821,-0.6880161198,0.0,-0.0105270437,GGA,P2_1/c,A2B2C2D3E5_mP56_14_2e_2e_2e_3e_5e:C-K-N-Re-Se,56.0,"Invalid WP multiplicities - A2B2C2D3E5_mP56_14_6e_4e_7e_7e_20e:C-K-N-Re-Se, expected K4Re7C6Se20N7 to be K2Re3C2Se5N2" +mp-1029863,K15Re7N19,-6.8400690496,-0.4458964137,0.0,-0.1253462181,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:K-N-Re,82.0,A15B19C7_aP82_2_bd14i_19i_7i:K-N-Re +mp-1247491,K3ReN3,-6.0475395557,-0.2210811556,0.1747554384,0.1747554384,GGA,P6_3/m,A3B3C_hP14_176_h_h_c:K-N-Re,14.0,A3B3C_hP14_176_h_h_c:K-N-Re +mp-568943,KCSeN,-6.0717853675,-0.528917657,0.1155490643,0.1155490643,GGA,P2_1/c,ABCD_mP16_14_e_e_e_e:C-K-N-Se,16.0,ABCD_mP16_14_e_e_e_e:C-K-N-Se +mp-1247354,Re(C2N3)3,-8.6457011806,0.2821097234,0.2988932668,0.2988932668,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Re,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Re +mp-1246334,Re2(CN2)3,-9.1563689873,0.1703601398,0.2191849931,0.2191849931,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Re,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Re +mp-1246356,Re2(CN2)3,-9.19509964,0.131629487,0.1804543404,0.1804543404,GGA,C2/c,A3B6C2_mC44_15_ef_3f_f:C-N-Re,22.0,"Invalid WP multiplicities - A3B6C2_mC44_15_2e2f_12f_f:C-N-Re, expected Re(CN4)3 to be Re2(CN2)3" +mp-1080849,KReN2,-7.9268703403,-0.3698913448,0.0,-0.0046862291,GGA,Pbcm,AB2C_oP32_57_cd_ade_cd:K-N-Re,32.0,AB2C_oP32_57_cd_ade_cd:K-N-Re +mp-1078456,K2Se2N,-3.551202827,-0.0413796721,0.9021799593,0.9021799593,GGA,C2/c,A2BC2_mC20_15_f_e_f:K-N-Se,10.0,A2BC2_mC20_15_f_e_f:K-N-Se +mp-1245890,K6ReN4,-4.9233944432,-0.1549489371,0.1475943566,0.1475943566,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:K-N-Re,22.0,A6B4C_tP22_137_df_g_a:K-N-Re +mp-1103551,K2Se4N,-3.6978028079,-0.1919544179,0.6507415905,0.6507415905,GGA,Cc,A2BC4_mC28_9_2a_a_4a:K-N-Se,14.0,A2BC4_mC28_9_2a_a_4a:K-N-Se +mp-1519009,KSmEuWO6,-8.753935059,-2.881510121,0.0225851281,0.0225851281,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-K-O-Sm-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-K-O-Sm-W, expected K2SmEuWO12 to be KSmEuWO6" +mp-1518998,KSmEuWO6,-8.735531117,-2.8631061791,0.0409890701,0.0409890701,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sm-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sm-W +mp-1194587,Na2Y2B2TeO10,-7.638972735,-2.8420921843,0.0,-0.0172269773,GGA,P2_1/c,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Y,34.0,A2B2C10DE2_mP34_14_e_e_5e_a_e:B-Na-O-Te-Y +mp-9405,K3SeO4F,-5.2223421389,-2.0528596799,0.0068961276,0.0068961276,GGA,I4/mcm,AB3C4D_tI36_140_c_ah_l_b:F-K-O-Se,18.0,AB3C4D_tI36_140_c_ah_l_b:F-K-O-Se +mp-9205,KSeO2F,-5.2216957,-1.9394623371,0.0,-0.0704440342,GGA,P2_1/m,ABC2D_mP10_11_e_e_f_e:F-K-O-Se,10.0,ABC2D_mP10_11_e_e_f_e:F-K-O-Se +mp-1225496,K3Sb7(SeO4)3,-5.2294452304,-1.1461570508,0.5445438342,0.5445438342,GGA,P2_1,A3B12C7D3_mP50_4_3a_12a_7a_3a:K-O-Sb-Se,50.0,"Invalid WP multiplicities - A3B12C7D3_mP50_4_6a_24a_13a_6a:K-O-Sb-Se, expected K6Sb13(SeO4)6 to be K3Sb7(SeO4)3" +mp-1196236,K2Sb2SeO5F6,-5.1741097661,-2.0380454403,0.2852908386,0.2852908386,GGA,P2_12_12_1,A6B2C5D2E_oP64_19_6a_2a_5a_2a_a:F-K-O-Sb-Se,64.0,A6B2C5D2E_oP64_19_6a_2a_5a_2a_a:F-K-O-Sb-Se +mp-1224566,K6Sb14Se6O25,-5.2936198337,-1.193402232,0.5104476694,0.5104476694,GGA,P-3,A6B25C14D6_hP51_147_g_a4g_d2g_g:K-O-Sb-Se,51.0,"Invalid WP multiplicities - A6B25C14D6_hP51_147_g_a6g_d2g_g:K-O-Sb-Se, expected K6Sb14Se6O37 to be K6Sb14Se6O25" +mp-652744,POs6C18ClO18,-8.4440915086,-0.949036522,0.2061279959,0.2061279959,GGA,P-1,A18BC18D6E_aP88_2_18i_i_18i_6i_i:C-Cl-O-Os-P,88.0,"Invalid WP multiplicities - A18BC18D6E_aP88_2_36i_i_35i_9i_i:C-Cl-O-Os-P, expected POs9C36ClO35 to be POs6C18ClO18" +mp-1523221,KBaGdWO6,-8.9145437685,-2.9401679061,0.0005744125,-0.0258359759,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Gd-K-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Gd-K-O-W, expected K2BaGdWO12 to be KBaGdWO6" +mp-1523079,KBaGdWO6,-8.915118181,-2.9407423185,0.0,-0.0264103884,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Gd-K-O-W +mp-559362,K4Zn(WO4)3,-7.4062056563,-2.2094059251,0.0205331767,0.0205331767,GGA+U,P-1,A4B12C3D_aP40_2_ad3i_12i_3i_i:K-O-W-Zn,40.0,"Invalid WP multiplicities - A4B12C3D_aP40_2_ad5i_24i_4i_i:K-O-W-Zn, expected K6Zn(WO6)4 to be K4Zn(WO4)3" +mp-1522980,KNdZnWO6,-7.415817658,-2.4381624093,0.169588317,0.169588317,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-W-Zn,,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-W-Zn +mp-1211586,KLiY2(MoO4)4,-8.2914100169,-2.5213315227,0.0300813015,0.0300813015,GGA+U,C2/c,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Y,48.0,ABC4D16E2_mC96_15_e_e_2f_8f_f:K-Li-Mo-O-Y +mp-19499,KY(MoO4)2,-8.279945434,-2.5431387698,0.0,-0.0045327632,GGA+U,Pbcn,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Y,48.0,AB2C8D_oP48_60_c_d_4d_c:K-Mo-O-Y +mp-1225843,K6Te3(H8O7)4,-5.2608906339,-1.4468786235,0.0,-0.0019017977,GGA,P1,A32B6C28D3_aP69_1_32a_6a_28a_3a:H-K-O-Te,69.0,A32B6C28D3_aP69_1_32a_6a_28a_3a:H-K-O-Te +mp-863010,K2TeH6SeO10,-5.431498969,-1.4973360366,0.0007872593,-0.0128972486,GGA,Cc,A6B2C10DE_mC80_9_6a_2a_10a_a_a:H-K-O-Se-Te,40.0,A6B2C10DE_mC80_9_6a_2a_10a_a_a:H-K-O-Se-Te +mp-723043,K2TeH6SeO10,-5.4322862283,-1.4981232959000002,0.0,-0.0136845078,GGA,C2/c,A6B2C10DE_mC80_15_3f_f_5f_e_c:H-K-O-Se-Te,40.0,A6B2C10DE_mC80_15_3f_f_5f_e_c:H-K-O-Se-Te +mp-1199621,K2TeH10O9,-5.2619988915,-1.4523824079,0.0014417538,0.0014417538,GGA,C2/c,A10B2C9D_mC176_15_10f_2f_9f_f:H-K-O-Te,,A10B2C9D_mC176_15_10f_2f_9f_f:H-K-O-Te +mp-650526,WC4(BrO2)2,-7.4032658405,-0.7882109582,0.4394950962,0.4394950962,GGA+U,C2/m,A2B4C4D_mC44_12_gi_2ij_2ij_i:Br-C-O-W,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_12_gi_4i2j_2i2j_i:Br-C-O-W, expected WC8(BrO3)2 to be WC4(BrO2)2" +mp-650538,W2C7Br4O7,-7.3517522621,-0.7839596018,0.4337412631,0.4337412631,GGA+U,Pnma,A4B7C7D2_oP80_62_2cd_3c2d_3c2d_2c:Br-C-O-W,80.0,"Invalid WP multiplicities - A4B7C7D2_oP80_62_7c6d_11c14d_11c13d_5c:Br-C-O-W, expected W5C39Br19O37 to be W2C7Br4O7" +mp-704542,GeW2C10(BrO5)2,-7.7834896481,-0.7675341676,0.4900619379,0.4900619379,GGA+U,P2_1/c,A2B10CD10E2_mP100_14_2e_10e_e_10e_2e:Br-C-Ge-O-W,100.0,"Invalid WP multiplicities - A2B10CD10E2_mP100_14_5e_36e_e_38e_5e:Br-C-Ge-O-W, expected GeW5C36Br5O38 to be GeW2C10(BrO5)2" +mp-1220908,NaSO3F,-5.8935421658,-2.1917887889,0.0,-0.0555145813,GGA,P-3m1,ABC3D_hP12_164_d_ab_i_d:F-Na-O-S,12.0,ABC3D_hP12_164_d_ab_i_d:F-Na-O-S +mp-560222,Na3SO4F,-5.6911074113,-2.379745238,0.0,-0.0066775535,GGA,P2_1/m,AB3C4D_mP108_11_6e_ad6e5f_12e6f_6e:F-Na-O-S,108.0,"Invalid WP multiplicities - AB3C4D_mP108_11_11e_2a2b12e17f_23e22f_11e:F-Na-O-S, expected Na50S11O67F11 to be Na3SO4F" +mp-547029,Na3SO4F,-5.3591803456000005,-2.0478181723,0.3319270657,0.3252495122,GGA,P-43m,AB3C4D_cP9_215_a_c_e_b:F-Na-O-S,9.0,AB3C4D_cP9_215_a_c_e_b:F-Na-O-S +mp-1186075,Na3SO4F,-5.6711503567,-2.3597881834,0.0199570546,0.0132795011,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:F-Na-O-S,9.0,AB3C4D_cP9_215_b_c_e_a:F-Na-O-S +mp-1189612,NaCuSO4F,-5.802540335,-1.8954883796,0.0,-0.0139944923,GGA,C2/c,ABCD4E_mC32_15_a_e_e_2f_e:Cu-F-Na-O-S,16.0,ABCD4E_mC32_15_c_e_e_2f_e:Cu-F-Na-O-S +mp-1233761,CaTi6(H2O7)2,-8.1687719948,-2.8806480701,0.0908137176,0.0908137176,GGA,P1,AB4C14D6_aP25_1_a_4a_14a_6a:Ca-H-O-Ti,25.0,AB4C14D6_aP25_1_a_4a_14a_6a:Ca-H-O-Ti +mp-709021,CaTi2(HO3)2,-7.8653525419,-2.9324281537,0.0,-0.0034823476,GGA,P2_1/c,AB2C6D2_mP88_14_2e_4e_12e_4e:Ca-H-O-Ti,88.0,AB2C6D2_mP88_14_2e_4e_12e_4e:Ca-H-O-Ti +mp-1233822,CaTiH6(OF3)2,-5.4049005869,-2.1786693747,0.2888031934,0.2888031934,GGA,C2,AB6C6D2E_mC32_5_a_3c_3c_c_a:Ca-F-H-O-Ti,16.0,"Invalid WP multiplicities - AB6C6D2E_mC32_5_a_4c_4c_c_a:Ca-F-H-O-Ti, expected CaTiH8(OF4)2 to be CaTiH6(OF3)2" +mp-1233958,CaTiH6(OF3)2,-5.4549975444,-2.2287663322,0.2387062359,0.2387062359,GGA,C2,AB6C6D2E_mC32_5_a_3c_3c_c_b:Ca-F-H-O-Ti,16.0,"Invalid WP multiplicities - AB6C6D2E_mC32_5_a_5c_5c_c_b:Ca-F-H-O-Ti, expected CaTiH10(OF5)2 to be CaTiH6(OF3)2" +mp-1233812,CaTiH6(OF3)2,-5.4712449906,-2.2450137785,0.2224587897,0.2224587897,GGA,P321,AB6C6D2E_hP16_150_a_g_g_d_b:Ca-F-H-O-Ti,16.0,AB6C6D2E_hP16_150_a_g_g_d_b:Ca-F-H-O-Ti +mp-1019794,K3LiP2O7,-6.5773361473000005,-2.6778326319,0.0,-0.0261303199,GGA,C222_1,A3BC7D2_oC52_20_bc_a_a3c_c:K-Li-O-P,26.0,A3BC7D2_oC52_20_bc_a_a3c_c:K-Li-O-P +mp-761143,KLiSb(PO4)2,-6.871348411,-2.4445455066,0.0743918573,0.0743918573,GGA,P1,ABC8D2E_aP39_1_3a_3a_24a_6a_3a:K-Li-O-P-Sb,39.0,ABC8D2E_aP39_1_3a_3a_24a_6a_3a:K-Li-O-P-Sb +mp-560240,K2SbPO6,-6.5473599545,-2.4030365637,0.0,-0.0304643175,GGA,Pnma,A2B6CD_oP40_62_2c_4cd_c_a:K-O-P-Sb,40.0,"Invalid WP multiplicities - A2B6CD_oP40_62_5c_13c6d_c_a:K-O-P-Sb, expected K5SbPO25 to be K2SbPO6" +mp-759715,KLi2Sb(PO4)2,-6.7228735230000005,-2.4759191927,0.0822247159,0.0822247159,GGA,P1,AB2C8D2E_aP84_1_6a_12a_48a_12a_6a:K-Li-O-P-Sb,84.0,AB2C8D2E_aP84_1_6a_12a_48a_12a_6a:K-Li-O-P-Sb +mp-1197664,K3Li3P6O19,-6.9021871421,-2.5304172713,0.0857976496,0.0857976496,GGA,R-3,A3B3C19D6_hR186_148_f_f_c6f_2f:K-Li-O-P,62.0,A3B3C19D6_hR186_148_f_f_c6f_2f:K-Li-O-P +mp-1200222,K2LiP3O10,-6.7498295692,-2.3850473571,0.1455476295,0.1455476295,GGA,P2_1/c,A2BC10D3_mP64_14_2e_e_10e_3e:K-Li-O-P,64.0,A2BC10D3_mP64_14_2e_e_10e_3e:K-Li-O-P +mp-1200878,KSb2PO8,-6.750952345,-2.2213512097,0.0002084838,-0.0253651007,GGA,Cc,AB8CD2_mC96_9_2a_16a_2a_4a:K-O-P-Sb,48.0,AB8CD2_mC96_15_f_8f_f_2f:K-O-P-Sb +mp-556756,KSb2PO8,-6.7511608287,-2.2215596934,0.0,-0.0255735844,GGA,C2/c,AB8CD2_mC96_15_f_8f_f_2f:K-O-P-Sb,48.0,"Invalid WP multiplicities - AB8CD2_mC96_15_f_29f_f_6f:K-O-P-Sb, expected KSb6PO29 to be KSb2PO8" +mp-554155,KSb(PO4)2,-7.0964955208,-2.45986928,0.0,-0.0212519488,GGA,R-3,AB8C2D_hR36_148_a_cf_c_b:K-O-P-Sb,12.0,"Invalid WP multiplicities - AB8C2D_hR36_148_a_2c2f_c_b:K-O-P-Sb, expected KSb(PO8)2 to be KSb(PO4)2" +mp-559300,KLi(PO3)2,-7.0510621855,-2.698456276,0.0049658089,-0.0009639456,GGA,P2_1/c,ABC6D2_mP80_14_2e_2e_12e_4e:K-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_mP80_14_6e_5e_44e_9e:K-Li-O-P, expected K6Li5P9O44 to be KLi(PO3)2" +mp-559142,KLi(PO3)2,-7.0560279944,-2.7034220849,0.0,-0.0059297545,GGA,C2/c,ABC6D2_mC160_15_2f_2f_12f_2e3f:K-Li-O-P,80.0,"Invalid WP multiplicities - ABC6D2_mC160_15_4f_4f_46f_4e9f:K-Li-O-P, expected K4Li4P11O46 to be KLi(PO3)2" +mp-877684,KLiSb3O8,-1.1818041885,3.0474139057,5.0766623663,5.0766623663,GGA,P1,ABC8D3_aP39_1_3a_3a_24a_9a:K-Li-O-Sb,39.0,ABC8D3_aP39_1_3a_3a_24a_9a:K-Li-O-Sb +mp-767674,KLiSb3O8,-6.168816069,-1.9395979748,0.0896504857,0.0896504857,GGA,P1,ABC8D3_aP39_1_3a_3a_24a_9a:K-Li-O-Sb,39.0,ABC8D3_aP39_1_3a_3a_24a_9a:K-Li-O-Sb +mp-1211767,K2RbSmV2O8,-7.3990503857,-2.7089618192,0.0,-0.0298078266,GGA+U,P-3m1,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Sm-V,14.0,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Sm-V +mp-1522534,KSmV4O12,-8.1804028061,-2.5401320341,0.0996330172,0.0996330172,GGA+U,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Sm-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Sm-V, expected KSmV4O18 to be KSmV4O12" +mp-939375,LiCuPO4F,-1.5779299288000002,2.5620283032,4.7637556659,4.7637556659,GGA,P-1,ABCD4E_aP16_2_be_i_i_4i_i:Cu-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_be_i_i_6i_i:Cu-F-Li-O-P, expected LiCuPO6F to be LiCuPO4F" +mp-25405,LiCuPO4F,-6.296200775,-2.156242543,0.0454848197,0.0454848197,GGA,P-1,ABCD4E_aP16_2_be_i_i_4i_i:Cu-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_be_i_i_6i_i:Cu-F-Li-O-P, expected LiCuPO6F to be LiCuPO4F" +mp-1212734,FeH2(CO2)2,-6.758998225,-0.8146027661,0.6075091622000001,0.6075091622000001,GGA+U,C2/c,A2BC2D4_mC36_15_f_e_f_2f:C-Fe-H-O,18.0,A2BC2D4_mC36_15_f_e_f_2f:C-Fe-H-O +mp-1201928,Fe4H12C15O31,-7.1991338805,-1.2899382383,0.2166756361,0.2166756361,GGA+U,Im-3,A15B4C12D31_cI124_204_bg_c_g_aeh:C-Fe-H-O,62.0,A15B4C12D31_cI124_204_bg_c_g_aeh:C-Fe-H-O +mp-559328,FeH4C3O5,-6.8548470958,-1.1271266786,0.1532709688,0.1532709688,GGA+U,Pc,A3BC4D5_mP52_7_6a_2a_8a_10a:C-Fe-H-O,52.0,"Invalid WP multiplicities - A3BC4D5_mP52_7_11a_3a_14a_17a:C-Fe-H-O, expected Fe3H14C11O17 to be FeH4C3O5" +mp-600152,FeHC2O3,-7.6062491246,-1.1547999284,0.185740849,0.185740849,GGA+U,P2_1/c,A2BCD3_mP28_14_2e_e_e_3e:C-Fe-H-O,28.0,"Invalid WP multiplicities - A2BCD3_mP28_14_4e_e_e_5e:C-Fe-H-O, expected FeHC4O5 to be FeHC2O3" +mp-698316,FeH4(CO3)2,-6.8552849956,-1.4569474077,0.0277206934,0.0277206934,GGA+U,C2/c,A2BC4D6_mC52_15_f_e_2f_3f:C-Fe-H-O,52.0,A2BC4D6_mC52_15_f_e_2f_3f:C-Fe-H-O +mp-721193,H2Ru4(CO)13,-8.022460684,-0.8923773434000001,0.2236336826,0.2236336826,GGA,P-1,A13B2C13D4_aP128_2_26i_4i_26i_8i:C-H-O-Ru,128.0,A13B2C13D4_aP128_2_26i_4i_26i_8i:C-H-O-Ru +mp-720808,H2Ru6(CO)17,-8.0936384144,-0.8695220146,0.2336783764,0.2336783764,GGA,P-1,A17B2C17D6_aP84_2_17i_2i_17i_6i:C-H-O-Ru,84.0,A17B2C17D6_aP84_2_17i_2i_17i_6i:C-H-O-Ru +mp-510524,FeH6(CO3)2,-6.4206077513,-1.2896850358,0.0764037293,0.0764037293,GGA+U,P2_1/c,A2BC6D6_mP60_14_2e_ad_6e_6e:C-Fe-H-O,60.0,A2BC6D6_mP60_14_2e_ab_6e_6e:C-Fe-H-O +mp-1203662,FeH2(CO3)2,-6.6205479416,-0.8575537095,0.7888134859,0.7888134859,GGA+U,P2_1/c,A2BC2D6_mP44_14_2e_ad_2e_6e:C-Fe-H-O,44.0,A2BC2D6_mP44_14_2e_ab_2e_6e:C-Fe-H-O +mp-1202429,FeH7(CO2)4,-6.591068979,-1.1557052197,0.164179098,0.164179098,GGA+U,P-1,A4BC7D8_aP40_2_4i_i_7i_8i:C-Fe-H-O,40.0,A4BC7D8_aP40_2_4i_i_7i_8i:C-Fe-H-O +mp-1194642,FeH4C3O8,-7.026461512,-1.4451845397,0.0930477796,0.0930477796,GGA+U,P-1,A3BC4D8_aP32_2_3i_i_4i_8i:C-Fe-H-O,64.0,A3BC4D8_aP32_2_3i_i_4i_8i:C-Fe-H-O +mp-768754,LiBi2(SO4)3,-6.3621792008,-1.8422061307,0.0974092757,0.0974092757,GGA,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Bi-Li-O-S,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_7e_e_45e_9e:Bi-Li-O-S, expected LiBi7(SO5)9 to be LiBi2(SO4)3" +mp-759534,LiBi2(SO4)3,-6.3582432514,-1.8382701813,0.1013452251,0.1013452251,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Bi-Li-O-S,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_9f_e:Bi-Li-O-S, expected LiBi2(SO18)3 to be LiBi2(SO4)3" +mp-753429,Li4Bi2S7,-4.3436187308,-0.9380942081,0.0375286648,0.0375286648,GGA,P2_1/c,A2B4C7_mP26_14_e_2e_a3e:Bi-Li-S,26.0,"Invalid WP multiplicities - A2B4C7_mP26_14_e_5e_2a10e:Bi-Li-S, expected Li5BiS11 to be Li4Bi2S7" +mp-755470,Li2BiS2,-4.22631379,-1.0400668706,0.09430338,0.09430338,GGA,Imm2,AB2C2_oI10_44_a_c_c:Bi-Li-S,5.0,AB2C2_oI10_71_a_e_f:Bi-Li-S +mp-754085,Li2BiS2,-4.222067175,-1.0358202556,0.098549995,0.098549995,GGA,Pnnm,AB2C2_oP10_58_a_g_g:Bi-Li-S,10.0,AB2C2_oP10_58_a_g_g:Bi-Li-S +mp-1178038,Li2BiS2,-4.22716657,-1.0409196506,0.0934506,0.0934506,GGA,Immm,AB2C2_oI10_71_a_e_f:Bi-Li-S,5.0,AB2C2_oI10_71_a_e_f:Bi-Li-S +mp-768229,Li2BiS3,-4.3350900033,-0.990475926,0.0664488529,0.0664488529,GGA,P-1,AB2C3_aP12_2_i_2i_3i:Bi-Li-S,12.0,"Invalid WP multiplicities - AB2C3_aP12_2_i_3i_5i:Bi-Li-S, expected Li3BiS5 to be Li2BiS3" +mp-766409,Li3BiS3,-4.2802234214,-1.1407080885,0.0746886086,0.0746886086,GGA,P-1,AB3C3_aP56_2_4i_12i_12i:Bi-Li-S,56.0,"Invalid WP multiplicities - AB3C3_aP56_2_7i_23i_23i:Bi-Li-S, expected Li23Bi7S23 to be Li3BiS3" +mp-753444,Li3BiS3,-4.2891945996,-1.1496792667,0.0657174304,0.0657174304,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Bi-Li-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_11e_11e:Bi-Li-S, expected Li11BiS11 to be Li3BiS3" +mp-753477,Li3BiS3,-4.2612008518,-1.1216855188,0.0937111782,0.0937111782,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:Bi-Li-S,28.0,"Invalid WP multiplicities - AB3C3_mP28_14_e_7e_11e:Bi-Li-S, expected Li7BiS11 to be Li3BiS3" +mp-753520,Li3BiS3,-4.3167426004,-1.1772272674,0.0381694296,0.0381694296,GGA,Pna2_1,AB3C3_oP28_33_a_3a_3a:Bi-Li-S,28.0,"Invalid WP multiplicities - AB3C3_oP28_33_a_9a_9a:Bi-Li-S, expected Li9BiS9 to be Li3BiS3" +mp-753720,Li3BiS3,-4.32977698,-1.1902616471,0.02513505,0.02513505,GGA,R-3,AB3C3_hR42_148_c_f_f:Bi-Li-S,14.0,AB3C3_hR42_148_c_f_f:Bi-Li-S +mp-753677,Li3BiS3,-4.3062179079,-1.1667025749,0.0486941221,0.0486941221,GGA,R3c,AB3C3_hR42_161_a_b_b:Bi-Li-S,14.0,AB3C3_hR42_161_a_b_b:Bi-Li-S +mp-774336,Li3BiS3,-4.2505397111,-1.1110243781,0.1043723189,0.1043723189,GGA,P2_13,AB3C3_cP28_198_a_3a_b:Bi-Li-S,28.0,"Invalid WP multiplicities - AB3C3_cP28_198_a_9a_b:Bi-Li-S, expected Li9BiS3 to be Li3BiS3" +mp-766422,Li3BiS4,-4.2876302794,-1.0234981297,0.0511521864,0.0511521864,GGA,Pnma,AB3C4_oP32_62_c_cd_2cd:Bi-Li-S,32.0,"Invalid WP multiplicities - AB3C4_oP32_62_c_2c3d_5c4d:Bi-Li-S, expected Li8BiS13 to be Li3BiS4" +mp-757150,Li5BiS4,-4.214579863,-1.2214895699,0.080418889,0.080418889,GGA,Cmc2_1,AB5C4_oC40_36_a_a2b_2ab:Bi-Li-S,20.0,"Invalid WP multiplicities - AB5C4_oC40_36_a_a4b_2a2b:Bi-Li-S, expected Li9BiS6 to be Li5BiS4" +mp-756086,Li5BiS4,-4.1991968535,-1.2061065604,0.0958018985,0.0958018985,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Bi-Li-S,20.0,"Invalid WP multiplicities - AB5C4_oP20_59_a_2b3g_2e3f:Bi-Li-S, expected Li14BiS10 to be Li5BiS4" +mp-766390,Li5BiS4,-4.2375331577,-1.2444428647,0.0574655943,0.0574655943,GGA,Pbca,AB5C4_oP80_61_c_5c_4c:Bi-Li-S,80.0,"Invalid WP multiplicities - AB5C4_oP80_61_c_17c_13c:Bi-Li-S, expected Li17BiS13 to be Li5BiS4" +mp-755139,Li5BiS4,-4.249947404,-1.2568571109,0.045051348,0.045051348,GGA,Immm,AB5C4_oI20_71_a_bn_fg:Bi-Li-S,10.0,"Invalid WP multiplicities - AB5C4_oI20_71_a_bn_2fg:Bi-Li-S, expected Li5BiS6 to be Li5BiS4" +mp-774732,Li5BiS4,-4.2253246969,-1.2322344038,0.0696740551,0.0696740551,GGA,P4_2/nmc,AB5C4_tP80_137_g_abd2fh_2gh:Bi-Li-S,80.0,"Invalid WP multiplicities - AB5C4_tP80_137_g_2a2b3d6f8h_12g3h:Bi-Li-S, expected Li49(BiS18)2 to be Li5BiS4" +mp-756213,Li8BiS6,-4.183495048,-1.254790297,0.0702411565,0.0702411565,GGA,R-3,AB8C6_hR45_148_a_cf_f:Bi-Li-S,15.0,"Invalid WP multiplicities - AB8C6_hR45_148_a_c2f_f:Bi-Li-S, expected Li14BiS6 to be Li8BiS6" +mp-766423,Li8BiS6,-4.173267228,-1.244562477,0.0804689765,0.0804689765,GGA,P6_3cm,AB8C6_hP30_185_a_b2c_abc:Bi-Li-S,30.0,"Invalid WP multiplicities - AB8C6_hP30_185_a_2b9c_a3b3c:Bi-Li-S, expected Li31BiS16 to be Li8BiS6" +mp-777356,Li2Bi2(SO4)3,-6.2802363368,-1.8976869616,0.1028206032,0.1028206032,GGA,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Bi-Li-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Bi-Li-O-S, expected Li2Bi2S5O42 to be Li2Bi2(SO4)3" +mp-753506,LiBiS2,-4.438583135,-0.9330052024,0.06611209,0.0457729225,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-Li-S,4.0,ABC2_tP4_123_a_d_bc:Bi-Li-S +mp-33526,LiBiS2,-4.4931907613,-0.9876128286,0.0115044638,-0.0088347037,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Bi-Li-S,8.0,ABC2_tI16_141_a_b_e:Bi-Li-S +mp-1222404,LiBiS2,-4.504695225,-0.9991172924,0.0,-0.0203391675,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Li-S,4.0,ABC2_hR12_166_a_b_c:Bi-Li-S +mp-779482,Li6Bi2B4SO16,-6.74507063,-2.2921205683,0.0825591801,0.0825591801,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Bi-Li-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:B-Bi-Li-O-S, expected Li6Bi2B4SO108 to be Li6Bi2B4SO16" +mp-1223484,KV3(PbO3)4,-7.2597012305,-2.1310527319,0.0,-0.0197614865,GGA+U,P6_3,AB12C4D3_hP40_173_b_4c_bc_c:K-O-Pb-V,40.0,AB12C4D3_hP40_173_b_4c_bc_c:K-O-Pb-V +mp-1224220,KNaV6(PbO3)8,-7.2555632275,-2.1216115702,0.0006952977,0.0006952977,GGA+U,P3,ABC24D8E6_hP40_143_a_b_8d_ab2d_2d:K-Na-O-Pb-V,40.0,ABC24D8E6_hP40_143_a_b_8d_ab2d_2d:K-Na-O-Pb-V +mp-541508,KVPbO4,-7.0058641829,-2.1924774783,0.0,-0.007425898,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_c:K-O-Pb-V,28.0,AB4CD_oP28_62_c_2cd_c_c:K-O-Pb-V +mp-1200383,InSn2P(H3C)8,-4.8533415713,-0.0911504889,0.1322651146,0.1322651146,GGA,P-1,A8B24CDE2_aP216_2_24i_72i_3i_3i_6i:C-H-In-P-Sn,216.0,A8B24CDE2_aP216_2_24i_72i_3i_3i_6i:C-H-In-P-Sn +mp-1201119,GaH6C2SeI3,-4.2346217063000005,-0.4070991059,0.0,-0.0073840728,GGA,P2_1/c,A2BC6D3E_mP52_14_2e_e_6e_3e_e:C-Ga-H-I-Se,52.0,A2BC6D3E_mP52_14_2e_e_6e_3e_e:C-Ga-H-I-Se +mp-1181198,H3CI,-4.359877885,-0.1838358895,0.0484512242,0.0484512242,GGA,Pnma,AB3C_oP20_62_c_cd_c:C-H-I,20.0,AB3C_oP20_62_c_cd_c:C-H-I +mp-1096983,H3CI,-4.336038568,-0.1599965725,0.0722905412,0.0722905412,GGA,R3m,AB3C_hR15_160_a_b_a:C-H-I,5.0,AB3C_hR15_160_a_b_a:C-H-I +mp-1519780,KLaYBiO6,-7.2899173277,-2.6865674715,0.0688058318,0.0688058318,GGA,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Bi-K-La-O-Y,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_cd_6m_f:Bi-K-La-O-Y, expected K2LaYBiO12 to be KLaYBiO6" +mp-1519740,KLaYBiO6,-7.178420282,-2.5750704257,0.1803028775,0.1803028775,GGA,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Bi-K-La-O-Y,10.0,ABCD6E_cF40_216_a_c_d_f_b:Bi-K-La-O-Y +mp-1105265,MgPNO5,-7.1116451675,-2.1012050378,0.145328318,0.145328318,GGA,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:Mg-N-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:Mg-N-O-P +mp-1194217,AlP3NO10,-7.113088581,-1.9271642218,0.6050787867,0.6050787867,GGA,P2/c,ABC10D3_mP30_13_a_f_5g_eg:Al-N-O-P,30.0,ABC10D3_mP30_13_a_f_5g_eg:Al-N-O-P +mp-1222249,MgAl2P3NO12,-7.39663476,-2.5004190395,0.3628104248,0.3628104248,GGA,Ama2,A2BCD12E3_oC76_40_ab_b_b_4b4c_a2b:Al-Mg-N-O-P,38.0,"Invalid WP multiplicities - A2BCD12E3_oC76_40_2a2b_b_b_8b16c_2a3b:Al-Mg-N-O-P, expected MgAl4P5NO40 to be MgAl2P3NO12" +mp-1214928,Al2P2NO8,-7.549296405,-2.454853229,0.4266687354,0.4266687354,GGA,C2/c,A2BC8D2_mC104_15_2f_f_8f_2f:Al-N-O-P,52.0,A2BC8D2_mC104_15_2f_f_8f_2f:Al-N-O-P +mp-1199403,Al2P2NO11,-6.9148955192,-1.8481563053,0.6343262944,0.6343262944,GGA,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Al-N-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Al-N-O-P +mp-1215146,Al3P8NO36,-6.4581201953,-1.4381111105,0.7287068866,0.7287068866,GGA,C2/c,A3BC36D8_mC192_15_ef_e_18f_4f:Al-N-O-P,96.0,A3BC36D8_mC192_15_ef_e_18f_4f:Al-N-O-P +mp-731674,MgP3NO9,-7.0991924189,-2.0494152121,0.4472828502,0.4472828502,GGA,Pnma,ABC9D3_oP56_62_c_c_3c3d_cd:Mg-N-O-P,56.0,ABC9D3_oP56_62_c_c_3c3d_cd:Mg-N-O-P +mp-1210595,MgP3NO9,-7.0961982043,-2.0464209974,0.4502770648,0.4502770648,GGA,R32,ABC9D3_hR42_155_a_b_df_e:Mg-N-O-P,14.0,ABC9D3_hR42_155_a_b_df_e:Mg-N-O-P +mp-1210647,MgP3NO9,-7.0921004082,-2.0423232013,0.4543748609,0.4543748609,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Mg-N-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Mg-N-O-P +mp-557910,Cd2PO4F,-5.9497046162,-2.3300401364,0.0,-0.0343299279,GGA,C2/c,A2BC4D_mC64_15_2f_f_4f_f:Cd-F-O-P,32.0,"Invalid WP multiplicities - A2BC4D_mC64_15_5f_f_12f_f:Cd-F-O-P, expected Cd5PO12F to be Cd2PO4F" +mp-17693,SrCdP2O7,-7.1771855582,-2.8075665395,0.0,-0.0143917365,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cd-O-P-Sr,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cd-O-P-Sr +mp-8277,Sr(CdP)2,-3.460792256,-0.5884166587,0.0,-0.1152872353,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cd-P-Sr,5.0,A2B2C_hP5_164_d_d_a:Cd-P-Sr +mp-1218628,Sr5Cd5P6(O12F)2,-6.8353118164,-2.8332828138,0.0234492739,0.0234492739,GGA,Pm,A5B2C24D6E5_mP42_6_a2c_ab_6a6b6c_3a3b_2a3b:Cd-F-O-P-Sr,42.0,"Invalid WP multiplicities - A5B2C24D6E5_mP42_6_a3c_ab_6a6b12c_3a3b_2a3b:Cd-F-O-P-Sr, expected Sr5Cd7P6(O18F)2 to be Sr5Cd5P6(O12F)2" +mp-541367,SrCd(PO3)4,-7.3618874271,-2.7160064396,0.0020975649,0.0020975649,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Cd-O-P-Sr,72.0,AB12C4D_mP72_14_e_12e_4e_e:Cd-O-P-Sr +mp-732165,KZnCl3O2,-3.6097687968,-1.065607374,0.4007719707,0.4007719707,GGA,P2_1/c,A3BC2D_mP28_14_3e_e_2e_e:Cl-K-O-Zn,28.0,A3BC2D_mP28_14_3e_e_2e_e:Cl-K-O-Zn +mp-1205192,K6Zn3Cl10,-3.2930188814,-1.7705456650000002,0.1781266302,0.1781266302,GGA,Pna2_1,A10B6C3_oP76_33_10a_6a_3a:Cl-K-Zn,76.0,A10B6C3_oP76_33_10a_6a_3a:Cl-K-Zn +mp-653633,K2ZnCl4,-3.5529437808,-1.9994169031,0.0,-0.030482288,GGA,Cc,A4B2C_mC336_9_48a_24a_12a:Cl-K-Zn,168.0,"Invalid WP multiplicities - A4B2C_mC336_9_95a_47a_22a:Cl-K-Zn, expected K47Zn22Cl95 to be K2ZnCl4" +mp-647575,K2ZnCl4,-3.5518823627,-1.998355485,0.0010614181,-0.0294208699,GGA,Pna2_1,A4B2C_oP84_33_12a_6a_3a:Cl-K-Zn,84.0,"Invalid WP multiplicities - A4B2C_oP84_33_48a_18a_7a:Cl-K-Zn, expected K18Zn7Cl48 to be K2ZnCl4" +mp-618177,K2ZnCl4,-3.5383243796,-1.9847975019,0.0146194012,-0.0158628868,GGA,Pna2_1,A4B2C_oP28_33_4a_2a_a:Cl-K-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_33_16a_5a_a:Cl-K-Zn, expected K5ZnCl16 to be K2ZnCl4" +mp-653454,K2ZnCl4,-3.5388232604,-1.9852963826,0.0141205205,-0.0163617675,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-K-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_7c6d_4c_c:Cl-K-Zn, expected K4ZnCl19 to be K2ZnCl4" +mp-726725,KZnCl3O,-3.1447035363,-1.0009633282,0.6322003601,0.6322003601,GGA,P2_12_12_1,A3BCD_oP24_19_3a_a_a_a:Cl-K-O-Zn,24.0,A3BCD_oP24_19_3a_a_a_a:Cl-K-O-Zn +mp-1104128,K2ZnN4,-3.8788319936,1.382099607,1.7107927976,1.7107927976,GGA,P-1,A2B4C_aP14_2_2i_4i_i:K-N-Zn,14.0,A2B4C_aP14_2_2i_4i_i:K-N-Zn +mp-1190451,K3Zn2Cl7,-3.4865880675,-1.9207180108,0.0233842532,0.0233842532,GGA,P-1,A7B3C2_aP24_2_7i_3i_2i:Cl-K-Zn,24.0,A7B3C2_aP24_2_7i_3i_2i:Cl-K-Zn +mp-559309,K3ZnNCl4O3,-4.6962268767,-1.7660895309,0.0,-0.0049910489,GGA,Pnma,A4B3CD3E_oP48_62_2cd_cd_c_cd_c:Cl-K-N-O-Zn,48.0,"Invalid WP multiplicities - A4B3CD3E_oP48_62_7c5d_3c4d_c_2c3d_c:Cl-K-N-O-Zn, expected K11ZnNCl17O8 to be K3ZnNCl4O3" +mp-1029336,KZnN,-3.5984336542,-0.0295544935,0.1802762118,0.1802762118,GGA,Pnma,ABC_oP12_62_c_c_c:K-N-Zn,12.0,ABC_oP12_62_c_c_c:K-N-Zn +mp-574148,K2ZnN12,-7.1024585325,-0.2012264922,0.0251707991,0.0251707991,GGA,Pbca,A2B12C_oP120_61_2c_12c_c:K-N-Zn,120.0,"Invalid WP multiplicities - A2B12C_oP120_61_10c_90c_c:K-N-Zn, expected K10ZnN90 to be K2ZnN12" +mp-675026,H(WO3)2,-8.2069130378,-1.6525665075,0.361904834,0.361904834,GGA+U,Cm,AB6C2_mC18_8_a_2a2b_2a:H-O-W,9.0,"Invalid WP multiplicities - AB6C2_mC18_8_a_2a4b_b:H-O-W, expected H(WO5)2 to be H(WO3)2" +mp-690112,H(WO3)2,-8.2187072156,-1.6643606853,0.3501106562,0.3501106562,GGA+U,Imm2,AB6C2_oI18_44_a_abe_c:H-O-W,9.0,"Invalid WP multiplicities - AB6C2_oI18_44_a_ab3e_c:H-O-W, expected H(WO7)2 to be H(WO3)2" +mp-34047,H(WO3)2,-8.2208211211,-1.6664745908,0.3479967506,0.3479967506,GGA+U,Fm-3m,AB6C2_cF36_225_a_d_c:H-O-W,9.0,AB6C2_cF36_225_a_d_c:H-O-W +mp-1224441,H(WO3)4,-8.6525860476,-1.9122618418,0.1856652575,0.1856652575,GGA+U,I-42m,AB12C4_tI34_121_a_ij_i:H-O-W,17.0,AB12C4_tI34_121_a_ij_i:H-O-W +mp-1201127,CuH32W6(Cl6O11)2,-5.6310853793,-1.2280057484,0.1372275363,0.1372275363,GGA+U,P-1,A12BC32D22E6_aP73_2_6i_a_16i_11i_3i:Cl-Cu-H-O-W,73.0,A12BC32D22E6_aP73_2_6i_a_16i_11i_3i:Cl-Cu-H-O-W +mp-29530,H2WO4,-7.4029339479,-1.7557429243,0.0461744141,0.0461744141,GGA+U,Pnma,A2B4C_oP28_62_2c_2cd_c:H-O-W,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2c_5c3d_c:H-O-W, expected H2WO11 to be H2WO4" +mp-626572,H2W2O7,-7.8282119718,-1.7074361965,0.2362620468,0.2362620468,GGA+U,P1,A2B7C2_aP22_1_4a_14a_4a:H-O-W,22.0,A2B7C2_aP22_1_4a_14a_4a:H-O-W +mp-625525,H2W2O7,-8.0100501432,-1.8892743678,0.0544238755,0.0544238755,GGA+U,Fdd2,A2B7C2_oF88_43_b_3a2b_b:H-O-W,22.0,"Invalid WP multiplicities - A2B7C2_oF88_43_b_5a4b_b:H-O-W, expected H2W2O13 to be H2W2O7" +mp-625740,H2W2O7,-7.7454599914,-1.624684216,0.3190140273,0.3190140273,GGA+U,Ima2,A2B7C2_oI44_46_2b_3b2c_ab:H-O-W,22.0,"Invalid WP multiplicities - A2B7C2_oI44_46_4b_5b6c_2ab:H-O-W, expected H4W3O17 to be H2W2O7" +mp-1181310,H2W2O7,-7.7948464218,-1.6740706465,0.2696275968,0.2696275968,GGA+U,Ima2,A2B7C2_oI44_46_2b_3b2c_ab:H-O-W,22.0,"Invalid WP multiplicities - A2B7C2_oI44_46_4b_5b6c_2ab:H-O-W, expected H4W3O17 to be H2W2O7" +mp-625502,H2W2O7,-7.8920608155,-1.7712850401,0.1724132032,0.1724132032,GGA+U,I4_1/amd,A2B7C2_tI44_141_e_aeg_d:H-O-W,22.0,"Invalid WP multiplicities - A2B7C2_tI44_141_e_a2e2g_d:H-O-W, expected H2W2O13 to be H2W2O7" +mp-1181092,H2W2O7,-7.6197753286,-1.4989995533,0.44469869,0.44469869,GGA+U,I4_1/amd,A2B7C2_tI44_141_e_aeg_c:H-O-W,22.0,"Invalid WP multiplicities - A2B7C2_tI44_141_e_a2e2g_c:H-O-W, expected H2W2O13 to be H2W2O7" +mp-626869,H2WO5,-7.0152097325,-1.455581498,0.1210961731,0.1210961731,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_e:H-O-W,32.0,A2B5C_mP32_14_2e_5e_e:H-O-W +mp-626865,H2WO5,-7.0529124003,-1.4932841658,0.0833935053,0.0833935053,GGA+U,P2_1/c,A2B5C_mP32_14_2e_5e_e:H-O-W,32.0,"Invalid WP multiplicities - A2B5C_mP32_14_7e_5e_e:H-O-W, expected H7WO5 to be H2WO5" +mp-1192656,Ba2MnV2HO9,-7.8902456587,-2.6181988748,0.0,-0.0104231742,GGA+U,P2_1/m,A2BCD9E2_mP30_11_2e_e_a_5e2f_2e:Ba-H-Mn-O-V,30.0,A2BCD9E2_mP30_11_2e_e_a_5e2f_2e:Ba-H-Mn-O-V +mp-1194843,BaMn9V6(HO13)2,-8.5219807815,-2.2883465185,0.0,-0.0021839536,GGA+U,Pa-3,AB2C9D26E6_cP176_205_a_c_bcd_c4d_d:Ba-H-Mn-O-V,176.0,AB2C9D26E6_cP176_205_a_c_bcd_c4d_d:Ba-H-Mn-O-V +mp-1201939,K3IrC4Cl2O9,-6.5245715622,-1.4034365774,0.4345106514,0.4345106514,GGA,C2/c,A4B2CD3E9_mC152_15_4f_2f_f_3f_9f:C-Cl-Ir-K-O,76.0,A4B2CD3E9_mC152_15_4f_2f_f_3f_9f:C-Cl-Ir-K-O +mp-1521661,KBaNdWO6,-7.9392261922,-2.8956478105,0.0003388728,-0.009781993,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-K-Nd-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-K-Nd-O-W, expected K2BaNdWO12 to be KBaNdWO6" +mp-1521867,KBaNdWO6,-7.939565065,-2.8959866833000003,0.0,-0.0101208658,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-Nd-O-W +mp-728126,Mo4H8N2O13,-7.0569705283,-1.4456982359,0.0840463344,0.0840463344,GGA+U,P-1,A8B4C2D13_aP54_2_8i_4i_2i_13i:H-Mo-N-O,54.0,A8B4C2D13_aP54_2_8i_4i_2i_13i:H-Mo-N-O +mp-1197337,Mo4H14N2O17,-6.5464414601000005,-1.3667802976,0.105954949,0.105954949,GGA+U,P2_1/c,A14B4C2D17_mP148_14_14e_4e_2e_17e:H-Mo-N-O,148.0,A14B4C2D17_mP148_14_14e_4e_2e_17e:H-Mo-N-O +mp-1194636,Mo4H12N2O15,-6.7179554476,-1.4158756446,0.0688342803,0.0688342803,GGA+U,P-1,A12B4C2D15_aP66_2_12i_4i_2i_15i:H-Mo-N-O,66.0,A12B4C2D15_aP66_2_12i_4i_2i_15i:H-Mo-N-O +mp-728329,MoH12Pd(NO)4,-5.8439066191,-0.8497712098,0.0037039824,0.0037039824,GGA+U,I4_1/amd,A12BC4D4E_tI88_141_hi_a_h_h_b:H-Mo-N-O-Pd,44.0,A12BC4D4E_tI88_141_hi_a_h_h_b:H-Mo-N-O-Pd +mp-1212007,Mo4H2N2O13,-7.4228640002,-1.1777213514,0.4724967825,0.4724967825,GGA+U,P-1,A2B4C2D13_aP42_2_2i_4i_2i_13i:H-Mo-N-O,42.0,A2B4C2D13_aP42_2_2i_4i_2i_13i:H-Mo-N-O +mp-24068,MoH8(NO2)2,-5.984751034,-1.0216041563,0.0782878949,0.0782878949,GGA+U,C2/m,A8BC2D4_mC60_12_4i2j_i_2i_2ij:H-Mo-N-O,30.0,A8BC2D4_mC60_12_4i2j_i_2i_2ij:H-Mo-N-O +mp-1194494,MoH8(NO2)2,-6.0282126737,-1.065065796,0.0348262552,0.0348262552,GGA+U,C2/m,A8BC2D4_mC60_12_4i2j_i_2i_2ij:H-Mo-N-O,30.0,A8BC2D4_mC60_12_4i2j_i_2i_2ij:H-Mo-N-O +mp-1198813,MoH8(NO2)2,-6.0247511655,-1.0616042878,0.0382877634,0.0382877634,GGA+U,P2_1/c,A8BC2D4_mP60_14_8e_e_2e_4e:H-Mo-N-O,60.0,A8BC2D4_mP60_14_8e_e_2e_4e:H-Mo-N-O +mp-1210459,NiH6(NO3)2,-5.213386218,-0.3807452135,0.7072467011,0.7072467011,GGA+U,P-1,A6B2CD6_aP30_2_6i_2i_i_6i:H-N-Ni-O,30.0,A6B2CD6_aP30_2_6i_2i_i_6i:H-N-Ni-O +mp-1205168,NiH8(NO5)2,-5.8342444231,-1.1170148039,0.009603618,0.009603618,GGA+U,P-1,A8B2CD10_aP42_2_8i_2i_be_10i:H-N-Ni-O,42.0,A8B2CD10_aP42_2_8i_2i_be_10i:H-N-Ni-O +mp-703480,NiH8(NO5)2,-5.5693517405,-0.8521221213,0.2744963006,0.2744963006,GGA+U,P-1,A8B2CD10_aP42_2_8i_2i_bd_10i:H-N-Ni-O,42.0,A8B2CD10_aP42_2_8i_2i_bd_10i:H-N-Ni-O +mp-1247275,Ni4Se3N2,-5.7118344619,-0.1250265727,0.2446674273,0.2446674273,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Ni-Se,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Ni-Se +mp-1193552,NiH4(NO4)2,-6.102748317,-1.0629122903,0.0,-0.000641031,GGA+U,P2_1/c,A4B2CD8_mP30_14_2e_e_a_4e:H-N-Ni-O,30.0,A4B2CD8_mP30_14_2e_e_a_4e:H-N-Ni-O +mp-24025,NiH12(N3O2)2,-5.1863244622,-0.1298647398,0.6415343499,0.6415343499,GGA+U,C2/m,A12B6CD4_mC46_12_3j_ij_a_2i:H-N-Ni-O,23.0,"Invalid WP multiplicities - A12B6CD4_mC46_12_3j_i2j_a_3i:H-N-Ni-O, expected NiH12(N5O3)2 to be NiH12(N3O2)2" +mp-1191646,NiH12(N3O2)2,-5.6742156683000005,-0.6177559459,0.1536431438,0.1536431438,GGA+U,C2/m,A12B6CD4_mC46_12_3j_ij_a_2i:H-N-Ni-O,23.0,A12B6CD4_mC46_12_3j_ij_a_2i:H-N-Ni-O +mp-733522,NiH12(NO6)2,-5.6627647119,-1.1247608746,0.0372498426,0.0355477402,GGA+U,P-1,A12B2CD12_aP54_2_12i_2i_i_12i:H-N-Ni-O,54.0,A12B2CD12_aP54_2_12i_2i_i_12i:H-N-Ni-O +mp-1194565,NiH12(NO6)2,-5.7000145544,-1.1620107172,0.0,-0.0017021024,GGA+U,P-1,A12B2CD12_aP54_2_12i_2i_i_12i:H-N-Ni-O,54.0,A12B2CD12_aP54_2_12i_2i_i_12i:H-N-Ni-O +mp-744309,NiH20Se2(NO7)2,-4.7768404669,-0.5062478427,0.693133289,0.693133289,GGA+U,P2_1/c,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se,78.0,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se +mp-1181908,NiH20Se2(NO7)2,-5.3935108847,-1.1229182606,0.0764628712,0.0764628712,GGA+U,P2_1/c,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se,78.0,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se +mp-1238275,NiH20Se2(NO7)2,-5.0466044645,-0.7760118403,0.4233692915,0.4233692915,GGA+U,P2_1/c,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se,78.0,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-Se +mp-1204558,BiRu5(CO)18,-8.1754154659,-0.9047279064,0.2464937613,0.2464937613,GGA,P-1,AB18C18D5_aP168_2_2i_36i_36i_10i:Bi-C-O-Ru,168.0,AB18C18D5_aP168_2_2i_36i_36i_10i:Bi-C-O-Ru +mp-652711,Bi2Ru3(CO)9,-7.9644344778,-0.8738964903,0.2132205034,0.2132205034,GGA,P-1,A2B9C9D3_aP92_2_4i_18i_18i_6i:Bi-C-O-Ru,92.0,"Invalid WP multiplicities - A2B9C9D3_aP92_2_7i_35i_33i_12i:Bi-C-O-Ru, expected Bi7Ru12C35O33 to be Bi2Ru3(CO)9" +mp-1214383,BiRu3(CO)9,-7.9943333361,-0.7560658551,0.3553735525,0.3553735525,GGA,P-1,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Ru,44.0,AB9C9D3_aP44_2_i_9i_9i_3i:Bi-C-O-Ru +mp-707319,BiH3Ru3(CO)9,-7.6272361254,-0.8504336167000001,0.1990718318,0.1990718318,GGA,P-1,AB9C3D9E3_aP50_2_i_9i_3i_9i_3i:Bi-C-H-O-Ru,50.0,AB9C3D9E3_aP50_2_i_9i_3i_9i_3i:Bi-C-H-O-Ru +mp-652854,BiRu2(CO)6,-8.053516784,-0.8907554885000001,0.208252463,0.208252463,GGA,P2_1/c,AB6C6D2_mP60_14_e_6e_6e_2e:Bi-C-O-Ru,60.0,AB6C6D2_mP60_14_e_6e_6e_2e:Bi-C-O-Ru +mp-1196928,MgZrP2(H2O3)4,-6.6974684585,-2.2192743507,0.0039492426,0.0039492426,GGA,P-1,A8BC12D2E_aP48_2_8i_ae_12i_2i_i:H-Mg-O-P-Zr,48.0,A8BC12D2E_aP48_2_8i_ae_12i_2i_i:H-Mg-O-P-Zr +mp-540737,ZrP2H4O9,-6.9173062931,-2.0757182791,0.3494438813,0.3494438813,GGA,P2_1/c,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Zr,64.0,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Zr +mp-1199622,ZrP2H4O9,-7.2624225802,-2.4208345661,0.0043275942,0.0043275942,GGA,P2_1/c,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Zr,64.0,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Zr +mp-707540,ZrP2(HO4)2,-7.7453615329,-2.6889563465,0.0,-0.0023788148,GGA,I4_1cd,A2B8C2D_tI104_110_b_4b_b_a:H-O-P-Zr,52.0,A2B8C2D_tI104_110_b_4b_b_a:H-O-P-Zr +mp-1216369,Zr2P3H3O13,-7.9107760143,-2.7764693399,0.0006406161,0.0006406161,GGA,P1,A3B13C3D2_aP42_1_6a_26a_6a_4a:H-O-P-Zr,42.0,A3B13C3D2_aP42_1_6a_26a_6a_4a:H-O-P-Zr +mp-1207391,ZrP2HO7,-7.7910254918,-2.5734025221,0.2672671816,0.2672671816,GGA,P-3,AB7C2D_hP22_147_d_d2g_2d_c:H-O-P-Zr,22.0,AB7C2D_hP22_147_d_d2g_2d_c:H-O-P-Zr +mp-643013,ZrP2(HO3)2,-7.6069572445,-2.5306036081,0.0034275518,-0.0549090668,GGA,P-3,A2B6C2D_hP11_147_d_g_d_a:H-O-P-Zr,11.0,A2B6C2D_hP11_147_d_g_d_a:H-O-P-Zr +mp-24030,ZrP2(HO3)2,-7.6103847964,-2.5340311599,0.0,-0.0583366186,GGA,P-3m1,A2B6C2D_hP11_164_d_i_d_a:H-O-P-Zr,11.0,A2B6C2D_hP11_164_d_i_d_a:H-O-P-Zr +mp-697914,ZrP2(H3O5)2,-6.9197421697,-2.2251343263,0.0195370751,0.0195370751,GGA,P2_1,A6B10C2D_mP38_4_6a_10a_2a_a:H-O-P-Zr,38.0,A6B10C2D_mP38_4_6a_10a_2a_a:H-O-P-Zr +mp-1216169,Zr24P8H,-8.4913234336,-0.8596882452,0.0039769544,0.0039769544,GGA,P2,AB8C24_mP33_3_a_4e_12e:H-P-Zr,33.0,AB8C24_mP33_3_a_4e_12e:H-P-Zr +mp-558325,K2YNb5O15,-8.8837655243,-3.0840209645,0.0275808942,0.0275808942,GGA,Cmmm,A2B5C15D_oC46_65_h_ap_degipq_c:K-Nb-O-Y,23.0,"Invalid WP multiplicities - A2B5C15D_oC46_65_h_ap_d2e2g2i4p3q_c:K-Nb-O-Y, expected K2YNb5O41 to be K2YNb5O15" +mp-1516868,KLaYNbO6,-8.463578178,-3.2341467307,0.1869403527,0.1869403527,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Y,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-Y +mp-768129,Na2HoPCO7,-7.4773187596,-2.7692980567000003,0.0239398936,0.0239398936,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ho-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ho-Na-O-P, expected Na2HoPCO13 to be Na2HoPCO7" +mp-1178896,V2Cu(PO7)2,-7.0259968876,-1.6392986886,0.3132439645,0.3132439645,GGA+U,P2_1/m,AB14C2D2_mP38_11_e_4e5f_f_2e:Cu-O-P-V,38.0,AB14C2D2_mP38_11_e_4e5f_f_2e:Cu-O-P-V +mp-1203900,V2Cu(PO7)2,-7.0246143805,-1.6379161815,0.3146264716,0.3146264716,GGA+U,P2_1/m,AB14C2D2_mP38_11_e_4e5f_f_2e:Cu-O-P-V,38.0,AB14C2D2_mP38_11_e_4e5f_f_2e:Cu-O-P-V +mp-757397,V2Cu(PO4)3,-7.8887773744,-2.4517112153,0.0138320642,0.0138320642,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Cu-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_13f_e_c:Cu-O-P-V, expected V2Cu(PO26)3 to be V2Cu(PO4)3" +mp-1178904,V2CuP2O15,-6.752858673,-1.3881609484,0.4667545721,0.4667545721,GGA+U,P-1,AB15C2D2_aP40_2_i_15i_2i_2i:Cu-O-P-V,40.0,AB15C2D2_aP40_2_i_15i_2i_2i:Cu-O-P-V +mp-775338,V3Cu2Ni(PO4)6,-7.6803064742,-2.3350116869,0.0449584042,0.0449584042,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cu-Ni-O-P-V, expected V3Cu2Ni(PO10)6 to be V3Cu2Ni(PO4)6" +mp-646720,V2Cu(PO5)2,-7.8463810894,-2.342347027,0.0317678039,0.0317678039,GGA+U,Pbca,AB10C2D2_oP120_61_c_10c_2c_2c:Cu-O-P-V,120.0,"Invalid WP multiplicities - AB10C2D2_oP120_61_c_76c_10c_9c:Cu-O-P-V, expected V9Cu(P5O38)2 to be V2Cu(PO5)2" +mp-755025,VCu(PO4)2,-7.6073878446,-2.3087855576000003,0.0385770075,0.0385770075,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cu-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mP24_11_e_7e4f_3e_e:Cu-O-P-V, expected VCu(PO5)3 to be VCu(PO4)2" +mp-774423,V3Cu(PO4)6,-7.7396474429,-2.3704924726,0.0236213958,0.0236213958,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cu-O-P-V,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cu-O-P-V, expected V3Cu(PO10)6 to be V3Cu(PO4)6" +mp-755952,VCu3(PO4)4,-7.161370875,-2.0704643964,0.059398034,0.059398034,GGA+U,Pm,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-V,24.0,A3B16C4D_mP24_6_a2b_4a4b4c_2a2b_a:Cu-O-P-V +mp-775334,V3Cu(PO4)4,-8.0009560642,-2.4946579689,0.0299756677,0.0299756677,GGA+U,Pm,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Cu-O-P-V,24.0,AB16C4D3_mP24_6_a_4a4b4c_2a2b_a2b:Cu-O-P-V +mp-782657,Mn3VTe2(PO4)6,-7.7273014703,-2.336831808,0.0864170985,0.0864170985,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Mn-O-P-Te-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Mn-O-P-Te-V, expected Mn3VTe2(PO10)6 to be Mn3VTe2(PO4)6" +mp-1198653,Na2TmPWO8,-7.819855418499999,-2.8147916925,0.0068655004,0.0068655004,GGA+U,Ibca,A2B8CDE_oI104_73_f_4f_c_c_d:Na-O-P-Tm-W,52.0,A2B8CDE_oI104_73_f_4f_c_c_d:Na-O-P-Tm-W +mp-686427,PuSi6H54(C6N)3,-5.4043968726,-0.2683917923,0.0552786963,0.0552786963,GGA,P31c,A18B54C3DE6_hP164_159_6c_18c_c_b_2c:C-H-N-Pu-Si,164.0,"Invalid WP multiplicities - A18B54C3DE6_hP164_159_30c_98c_c_b_8c:C-H-N-Pu-Si, expected PuSi24H294(C30N)3 to be PuSi6H54(C6N)3" +mp-768122,NaBiPCO7,-7.0188248109,-2.0704790471,0.069329068,0.069329068,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:Bi-C-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:Bi-C-Na-O-P, expected NaBiPCO13 to be NaBiPCO7" +mp-768140,Na2BiPCO7,-6.9158913058,-2.2696972479,0.0,-0.0206560889,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Bi-C-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Bi-C-Na-O-P, expected Na2BiPCO13 to be Na2BiPCO7" +mp-779878,Na4Bi2P(CO4)4,-6.9468477443,-1.9673639187,0.0670746882,0.0670746882,GGA,Fddd,A2B4C4D16E_oF216_70_c_h_ef_4h_b:Bi-C-Na-O-P,54.0,"Invalid WP multiplicities - A2B4C4D16E_oF216_70_c_h_2e3f_21h_b:Bi-C-Na-O-P, expected Na10Bi2P(CO21)4 to be Na4Bi2P(CO4)4" +mp-778085,Na5Bi2P(CO4)4,-6.8561476329,-2.0072694692,0.0794585172,0.0794585172,GGA,P1,A2B4C5D16E_aP112_1_8a_16a_20a_64a_4a:Bi-C-Na-O-P,112.0,A2B4C5D16E_aP112_1_8a_16a_20a_64a_4a:Bi-C-Na-O-P +mp-776102,Na5Bi2P(CO4)4,-6.8564652087,-2.0075870449,0.0791409415,0.0791409415,GGA,P1,A2B4C5D16E_aP112_1_8a_16a_20a_64a_4a:Bi-C-Na-O-P,112.0,A2B4C5D16E_aP112_1_8a_16a_20a_64a_4a:Bi-C-Na-O-P +mp-774929,Na5Bi2P(CO4)4,-6.8622859995,-2.0134078358,0.0733201506,0.0733201506,GGA,C2/c,A2B4C5D16E_mC112_15_ac_2f_e2f_8f_e:Bi-C-Na-O-P,56.0,"Invalid WP multiplicities - A2B4C5D16E_mC112_15_2ac_6f_2e8f_30f_e:Bi-C-Na-O-P, expected Na18Bi3P(CO5)12 to be Na5Bi2P(CO4)4" +mp-767754,Na5Bi2P(CO4)4,-6.8596026095,-2.0107244458,0.0760035406,0.0760035406,GGA,F222,A2B4C5D16E_oF224_22_k_2k_efghi_8k_ac:Bi-C-Na-O-P,56.0,"Invalid WP multiplicities - A2B4C5D16E_oF224_22_k_2k_2e2f2g2h2i_18k_ac:Bi-C-Na-O-P, expected Na10Bi2P(CO9)4 to be Na5Bi2P(CO4)4" +mp-778147,Na5Bi2P(CO4)4,-6.8633532164,-2.0144750527,0.0722529337,0.0722529337,GGA,Fdd2,A2B4C5D16E_oF224_43_b_2b_a2b_8b_a:Bi-C-Na-O-P,56.0,"Invalid WP multiplicities - A2B4C5D16E_oF224_43_b_4b_2a7b_20b_a:Bi-C-Na-O-P, expected Na16Bi2P(CO5)8 to be Na5Bi2P(CO4)4" +mp-778497,Na6Bi2P(CO4)4,-6.7416189886,-2.0143391997,0.0779079329,0.0779079329,GGA,Fd-3,A2B4C6D16E_cF232_203_c_e_f_eg_b:Bi-C-Na-O-P,58.0,"Invalid WP multiplicities - A2B4C6D16E_cF232_203_c_e_f_2eg_b:Bi-C-Na-O-P, expected Na6Bi2P(CO5)4 to be Na6Bi2P(CO4)4" +mp-989612,LaCrN3,-8.9711458845,-1.0514380145,0.0,-0.0524207378,GGA,C2/c,ABC3_mC40_15_f_2e_3f:Cr-La-N,20.0,"Invalid WP multiplicities - ABC3_mC40_15_f_2e_9f:Cr-La-N, expected LaCrN9 to be LaCrN3" +mp-818429,LaCrC6N6O5,-7.3761585624,0.2403393659,1.3818445299,1.3818445299,GGA+U,P2_1/m,A6BCD6E5_mP38_11_3f_a_e_3f_3ef:C-Cr-La-N-O,38.0,"Invalid WP multiplicities - A6BCD6E5_mP38_11_12f_a_e_12f_6ef:C-Cr-La-N-O, expected LaCrC24(N3O)8 to be LaCrC6N6O5" +mp-560490,La2C2N4O,-8.9343718311,-1.5319258749,0.0,-0.3541574005,GGA,C2/c,A2B2C4D_mC36_15_f_f_2f_e:C-La-N-O,18.0,"Invalid WP multiplicities - A2B2C4D_mC36_15_f_f_6f_e:C-La-N-O, expected La2C2N12O to be La2C2N4O" +mp-1223241,La2C(NO)2,-8.3364958386,-1.812631985,0.5560726747,0.5560726747,GGA,Fmm2,AB2C2D2_oF28_42_a_c_d_b:C-La-N-O,7.0,AB2C2D2_oF28_42_a_c_d_b:C-La-N-O +mp-1181174,LaC4NO11,-7.4862668165,-1.333282121,0.6355073764,0.6355073764,GGA,P-1,A4BCD11_aP34_2_4i_i_i_11i:C-La-N-O,34.0,A4BCD11_aP34_2_4i_i_i_11i:C-La-N-O +mp-569565,La3(CrN3)2,-8.8850246836,-1.2365623377,0.0,-0.0869856725,GGA,I4/mmm,A2B3C6_tI22_139_e_ae_eg:Cr-La-N,11.0,"Invalid WP multiplicities - A2B3C6_tI22_139_e_ae_2eg:Cr-La-N, expected La3(CrN4)2 to be La3(CrN3)2" +mp-1520546,KLaZrVO6,-8.4127703,-3.076955798,0.1634453475,0.1634453475,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-V-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-V-Zr +mp-766224,Ti3VSn2(PO4)6,-8.144931185,-2.8118792422,0.0,-0.0078867041,GGA+U,R3,A24B6C2D3E_hR108_146_8b_2b_2a_3a_a:O-P-Sn-Ti-V,36.0,"Invalid WP multiplicities - A24B6C2D3E_hR108_146_20b_2b_2a_3a_a:O-P-Sn-Ti-V, expected Ti3VSn2(PO10)6 to be Ti3VSn2(PO4)6" +mp-774862,TiV3Sn2(PO4)6,-8.0359352978,-2.636860352,0.0396692625,0.0396692625,GGA+U,R3,A24B6C2DE3_hR108_146_8b_2b_2a_a_3a:O-P-Sn-Ti-V,36.0,"Invalid WP multiplicities - A24B6C2DE3_hR108_146_20b_2b_2a_a_3a:O-P-Sn-Ti-V, expected TiV3Sn2(PO10)6 to be TiV3Sn2(PO4)6" +mp-1076205,K4Na4Mo3(WO4)5,-7.5328935396,-1.8108637433,0.2765012745,0.2765012745,GGA+U,P1,A4B3C4D20E5_aP144_1_16a_12a_16a_80a_20a:K-Mo-Na-O-W,144.0,A4B3C4D20E5_aP144_1_16a_12a_16a_80a_20a:K-Mo-Na-O-W +mp-1076836,K2Na2Mo3WO12,-7.5910830915,-2.1050234127,0.0529269745,0.0529269745,GGA+U,P4/mmm,A2B3C2D12E_tP40_123_j_gi_k_abcdefst_h:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - A2B3C2D12E_tP40_123_j_gi_k_abcd2e2f3s3t_h:K-Mo-Na-O-W, expected K2Na2Mo3WO30 to be K2Na2Mo3WO12" +mp-1223817,K4MoWO8,-7.0805279407,-2.2363218109,0.0006926843,0.0006926843,GGA+U,Cm,A4BC8D_mC28_8_4a_a_4a2b_a:K-Mo-O-W,14.0,A4BC8D_mC28_8_4a_a_4a2b_a:K-Mo-O-W +mp-1099727,K4Na4Mo5(WO8)3,-7.6699286192,-2.1310569375,0.0360147523,0.0360147523,GGA+U,Pmm2,A4B5C4D24E3_oP40_25_i_a2b2d_i_2a2b2c2d2e2f2g2h_a2c:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - A4B5C4D24E3_oP40_25_i_a2b2d_i_2a2b2c2d4e4f4g4h_a2c:K-Mo-Na-O-W, expected K4Na4Mo5W3O40 to be K4Na4Mo5(WO8)3" +mp-1099821,K2Na2Mo(WO4)3,-7.8549125365,-2.1576048457,0.0301802094,0.0301802094,GGA+U,Pmm2,A2BC2D12E3_oP20_25_f_a_f_2a2b2c2d2e_a2c:K-Mo-Na-O-W,20.0,"Invalid WP multiplicities - A2BC2D12E3_oP20_25_f_a_f_2a2b2c2d4e_a2c:K-Mo-Na-O-W, expected K2Na2MoW3O16 to be K2Na2Mo(WO4)3" +mp-1076546,K4Na4Mo7WO24,-7.5195913655,-2.0863436897,0.06019448,0.06019448,GGA+U,P4mm,A4B7C4D24E_tP40_99_d_a2b2c_d_2a2b2c2e2f_a:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - A4B7C4D24E_tP40_99_d_a2b4c_d_2a2b4c8e8f_a:K-Mo-Na-O-W, expected K4Na4Mo11WO76 to be K4Na4Mo7WO24" +mp-1076195,KNaMoWO5,-7.4636886559,-1.8003388629,0.2805861199,0.2805861199,GGA+U,P1,ABCD5E_aP144_1_16a_16a_16a_80a_16a:K-Mo-Na-O-W,144.0,ABCD5E_aP144_1_16a_16a_16a_80a_16a:K-Mo-Na-O-W +mp-1076891,K2Na2Mo3WO10,-7.3674737155,-1.8214839292,0.2391714926,0.2391714926,GGA+U,P1,A2B3C2D10E_aP144_1_16a_24a_16a_80a_8a:K-Mo-Na-O-W,144.0,A2B3C2D10E_aP144_1_16a_24a_16a_80a_8a:K-Mo-Na-O-W +mp-1076685,K4Na4MoW7O24,-7.9249442855,-2.1748245917,0.0143238195,0.0143238195,GGA+U,P4mm,A4BC4D24E7_tP40_99_d_a_d_2a2b2c2e2f_a2b2c:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - A4BC4D24E7_tP40_99_d_a_d_2a2b4c8e8f_a2b4c:K-Mo-Na-O-W, expected K4Na4MoW11O76 to be K4Na4MoW7O24" +mp-1076659,KNaMoWO6,-7.7474787033,-2.1557950185,0.0203979738,0.0203979738,GGA+U,P4mm,ABCD6E_tP40_99_d_2ac_d_2a2b2c2e2f_2bc:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - ABCD6E_tP40_99_d_2ac_d_2a2b4c8e8f_2bc:K-Mo-Na-O-W, expected KNaMoWO19 to be KNaMoWO6" +mp-1076890,K4Na4Mo5W3O20,-7.4155952958,-1.8109255061,0.2598646962,0.2598646962,GGA+U,P1,A4B5C4D20E3_aP144_1_16a_20a_16a_80a_12a:K-Mo-Na-O-W,144.0,A4B5C4D20E3_aP144_1_16a_20a_16a_80a_12a:K-Mo-Na-O-W +mp-1099601,K4Na4Mo3W5O24,-7.8127334585,-2.1682377707,0.0137512529,0.0137512529,GGA+U,Pmm2,A4B3C4D24E5_oP40_25_i_a2b_i_2a2b2c2d2e2f2g2h_a2c2d:K-Mo-Na-O-W,40.0,"Invalid WP multiplicities - A4B3C4D24E5_oP40_25_i_a2b_i_2a2b2c2d4e4f4g4h_a2c2d:K-Mo-Na-O-W, expected K4Na4Mo3(WO8)5 to be K4Na4Mo3W5O24" +mp-1099722,K2Na2MoW3O10,-7.5834021815,-1.8026923818,0.2870330165,0.2870330165,GGA+U,P1,A2BC2D10E3_aP144_1_16a_8a_16a_80a_24a:K-Mo-Na-O-W,144.0,A2BC2D10E3_aP144_1_16a_8a_16a_80a_24a:K-Mo-Na-O-W +mp-1099972,K4Na4MoW7O20,-7.6529558778,-1.8135660748,0.2762661746,0.2762661746,GGA+U,P1,A4BC4D20E7_aP144_1_16a_4a_16a_80a_28a:K-Mo-Na-O-W,144.0,A4BC4D20E7_aP144_1_16a_4a_16a_80a_28a:K-Mo-Na-O-W +mp-1212247,K3Si5H2O11,-6.8770610733,-2.5124508398,0.1986413542,0.1986413542,GGA,Cc,A2B3C11D5_mC84_9_2a_3a_11a_5a:H-K-O-Si,42.0,A2B3C11D5_mC84_9_2a_3a_11a_5a:H-K-O-Si +mp-28695,KSiH3,-3.579398097,-0.2366190746,0.0,-0.0600721535,GGA,Pnma,A3BC_oP20_62_cd_c_c:H-K-Si,20.0,A3BC_oP20_62_cd_c_c:H-K-Si +mp-1201235,KSi2HO5,-7.2421519792,-2.7880181338,0.0011391142,-0.0154080532,GGA,C2/m,ABC5D2_mC72_12_j_aci_2i4j_2j:H-K-O-Si,36.0,ABC5D2_mC72_12_j_aci_2i4j_2j:H-K-O-Si +mp-1223741,KSi2HO5,-7.2431674128,-2.7890335674,0.0001236806,-0.0164234868,GGA,Pna2_1,ABC5D2_oP36_33_a_a_5a_2a:H-K-O-Si,36.0,"Invalid WP multiplicities - ABC5D2_oP36_33_a_a_15a_7a:H-K-O-Si, expected KSi7HO15 to be KSi2HO5" +mp-1203642,KSi2HO5,-7.2432910933,-2.789157248,0.0,-0.0165471674,GGA,Pnma,ABC5D2_oP36_62_a_c_c2d_d:H-K-O-Si,36.0,ABC5D2_oP36_62_a_c_c2d_d:H-K-O-Si +mp-707195,KSiHO3,-6.6529839356,-2.5248990763,0.0,-0.0221790837,GGA,Cmce,ABC3D_oC96_64_cf_ef_2f2g_df:H-K-O-Si,48.0,ABC3D_oC96_64_cf_ef_2f2g_df:H-K-O-Si +mp-759928,K3TbSi3(HO5)2,-7.0918898441,-2.8553710949,0.0,-0.0232274403,GGA,Pnma,A2B3C10D3E_oP76_62_d_cd_2c4d_cd_c:H-K-O-Si-Tb,76.0,"Invalid WP multiplicities - A2B3C10D3E_oP76_62_d_3c2d_8c13d_2c3d_c:H-K-O-Si-Tb, expected K7TbSi8(HO17)2 to be K3TbSi3(HO5)2" +mp-1224290,K4TiSn3(PO5)4,-7.1750215341,-2.6452469209,0.0,-0.0019470993,GGA,P2_1,A4B20C4D3E_mP64_4_4a_20a_4a_3a_a:K-O-P-Sn-Ti,64.0,A4B20C4D3E_mP64_4_4a_20a_4a_3a_a:K-O-P-Sn-Ti +mp-559604,MnC5(O2F)2,-7.4708510715,-0.8945964436,0.73265823,0.73265823,GGA+U,P2_1/c,A5B2CD4_mP48_14_5e_2e_e_4e:C-F-Mn-O,48.0,"Invalid WP multiplicities - A5B2CD4_mP48_14_20e_8e_e_14e:C-F-Mn-O, expected MnC20(O7F4)2 to be MnC5(O2F)2" +mp-650943,MnTeC5O6F5,-6.8281755843,-1.4011658203,0.4931471486,0.4931471486,GGA+U,Pna2_1,A5B5CD6E_oP72_33_5a_5a_a_6a_a:C-F-Mn-O-Te,72.0,"Invalid WP multiplicities - A5B5CD6E_oP72_33_19a_17a_a_20a_a:C-F-Mn-O-Te, expected MnTeC19O20F17 to be MnTeC5O6F5" +mp-556053,TeC8(OF3)4,-6.2478601511,-1.4599748596,0.3318998874,0.3318998874,GGA,P-1,A8B12C4D_aP100_2_16i_24i_8i_2i:C-F-O-Te,100.0,"Invalid WP multiplicities - A8B12C4D_aP100_2_30i_48i_16i_2i:C-F-O-Te, expected TeC15(OF3)8 to be TeC8(OF3)4" +mp-1331846,TeC8(OF3)4,-4.538836573,0.2490487185,2.0409234655,2.0409234655,GGA,P-1,A8B12C4D_aP100_2_16i_24i_8i_2i:C-F-O-Te,100.0,"Invalid WP multiplicities - A8B12C4D_aP100_2_30i_48i_16i_2i:C-F-O-Te, expected TeC15(OF3)8 to be TeC8(OF3)4" +mp-555467,Sr2AlCO3F5,-6.9035846285,-3.5076938618,0.0,-0.0222644979,GGA,P2_1/c,ABC5D3E2_mP48_14_e_e_5e_3e_2e:Al-C-F-O-Sr,48.0,"Invalid WP multiplicities - ABC5D3E2_mP48_14_e_e_15e_7e_5e:Al-C-F-O-Sr, expected Sr5AlCO7F15 to be Sr2AlCO3F5" +mp-1194723,SrC4(O2F3)2,-6.7541407754,-2.0968218372,0.1854522367,0.1854522367,GGA,R-3,A4B6C4D_hR270_148_4f_6f_4f_f:C-F-O-Sr,90.0,A4B6C4D_hR270_148_4f_6f_4f_f:C-F-O-Sr +mp-1209060,SrAl2C2O11,-6.922243763,-1.7940217678,0.4869081662,0.4869081662,GGA,Pnma,A2B2C11D_oP64_62_d_2c_7c2d_c:Al-C-O-Sr,64.0,A2B2C11D_oP64_62_d_2c_7c2d_c:Al-C-O-Sr +mp-510511,FeP(H2O3)2,-6.5669613008,-1.8057646205,0.0071484481,0.0071484481,GGA+U,P2_1/c,AB4C6D_mP48_14_e_4e_6e_e:Fe-H-O-P,48.0,AB4C6D_mP48_14_e_4e_6e_e:Fe-H-O-P +mp-510510,FeP(H2O3)2,-6.5694226901,-1.8082260098,0.0046870589,0.0046870589,GGA+U,Pbca,AB4C6D_oP96_61_c_4c_6c_c:Fe-H-O-P,96.0,AB4C6D_oP96_61_c_4c_6c_c:Fe-H-O-P +mp-696031,Zn2FeP2(H2O3)4,-6.1599969704,-1.8272695169,0.0093404215,0.0093404215,GGA+U,P2_1/c,AB8C12D2E2_mP50_14_a_4e_6e_e_e:Fe-H-O-P-Zn,50.0,AB8C12D2E2_mP50_14_a_4e_6e_e_e:Fe-H-O-P-Zn +mp-23972,Fe2P3(HO3)3,-7.0968731471,-1.9275598249,0.0962744579,0.0962744579,GGA+U,P6_3/m,A2B3C9D3_hP34_176_f_h_hi_h:Fe-H-O-P,34.0,"Invalid WP multiplicities - A2B3C9D3_hP34_176_f_h_h2i_h:Fe-H-O-P, expected Fe2P3(HO5)3 to be Fe2P3(HO3)3" +mp-721689,Fe3P2(H2O3)4,-6.7186827674,-1.8091331059,0.0007046076,0.0007046076,GGA+U,P2_1/c,A3B8C12D2_mP50_14_ae_4e_6e_e:Fe-H-O-P,50.0,A3B8C12D2_mP50_14_ae_4e_6e_e:Fe-H-O-P +mp-24474,Fe7P6(HO6)4,-7.5100226198,-2.0451105037,0.146741359,0.146741359,GGA+U,P-1,A7B4C24D6_aP41_2_a3i_2i_12i_3i:Fe-H-O-P,41.0,"Invalid WP multiplicities - A7B4C24D6_aP41_2_a3i_3i_13i_3i:Fe-H-O-P, expected Fe7P6(H3O13)2 to be Fe7P6(HO6)4" +mp-1213504,Fe3P2H3O8,-6.988189623,-1.6139173437,0.2931924411,0.2931924411,GGA+U,Pnc2,A3B3C8D2_oP64_30_3c_ab2c_8c_2c:Fe-H-O-P,64.0,A3B3C8D2_oP64_30_3c_ab2c_8c_2c:Fe-H-O-P +mp-696780,FeP2(H4O5)2,-6.2681966729,-1.7012765921000002,0.1046478233,0.0965370424,GGA+U,P2_1/c,AB8C10D2_mP42_14_a_4e_5e_e:Fe-H-O-P,42.0,AB8C10D2_mP42_14_a_4e_5e_e:Fe-H-O-P +mp-1205448,FeP2(H4O5)2,-6.3728444962,-1.8059244154,0.0,-0.0081107809,GGA+U,P2_1/c,AB8C10D2_mP42_14_a_4e_5e_e:Fe-H-O-P,42.0,AB8C10D2_mP42_14_a_4e_5e_e:Fe-H-O-P +mp-1200394,FeP3(HO)6,-6.0621000909,-1.3904490117,0.1220017111,0.1220017111,GGA+U,R-3,AB6C6D3_hR96_148_ab_2f_2f_f:Fe-H-O-P,32.0,AB6C6D3_hR96_148_ab_2f_2f_f:Fe-H-O-P +mp-1213654,Fe6P4H23O21,-5.9575124052,-1.2466513078,0.2678067416,0.2678067416,GGA+U,C2/c,A6B23C21D4_mC216_15_ac2f_e11f_e10f_2f:Fe-H-O-P,108.0,A6B23C21D4_mC216_15_ac2f_e11f_e10f_2f:Fe-H-O-P +mp-728069,FeP2HO7,-7.499889715,-2.2893285107,0.0093982759,-0.0010772918,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-H-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Fe-H-O-P +mp-558841,FeP2HO7,-7.5092879909,-2.2987267866,0.0,-0.0104755677,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-H-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_4e:Fe-H-O-P, expected FeP4HO25 to be FeP2HO7" +mp-1212790,Fe3P2(HO)8,-6.136984721,-1.2345091641,0.2703095579,0.2703095579,GGA+U,C2/m,A3B8C8D2_mC42_12_ag_2j_2ij_i:Fe-H-O-P,21.0,A3B8C8D2_mC42_12_ag_2j_2ij_i:Fe-H-O-P +mp-744374,Fe6P4H17O27,-6.6618347288,-1.778311113,0.0154150125,0.0154150125,GGA+U,C2/c,A6B17C27D4_mC216_15_ac2f_e8f_e13f_2f:Fe-H-O-P,108.0,A6B17C27D4_mC216_15_ac2f_e8f_e13f_2f:Fe-H-O-P +mp-1182626,Fe6P4H17O27,-6.6603222056,-1.7767985897,0.0169275357,0.0169275357,GGA+U,C2/c,A6B17C27D4_mC216_15_ac2f_e8f_e13f_2f:Fe-H-O-P,108.0,A6B17C27D4_mC216_15_ac2f_e8f_e13f_2f:Fe-H-O-P +mp-1212769,FeP(HO2)2,-6.2585505594,-1.2016092279,0.7041330747,0.7041330747,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Fe-H-O-P,32.0,AB2C4D_mP32_14_e_2e_4e_e:Fe-H-O-P +mp-604694,FeP3(HO2)6,-6.7142254507,-1.9675641082,0.040572994,0.040572994,GGA+U,R-3c,AB6C12D3_hR132_167_b_f_2f_e:Fe-H-O-P,44.0,"Invalid WP multiplicities - AB6C12D3_hR132_167_b_f_11f_e:Fe-H-O-P, expected FeP3(HO11)6 to be FeP3(HO2)6" +mp-24470,Fe4P3(HO5)3,-7.4725450426,-2.092604996,0.0,-0.0065724105,GGA+U,C2/c,A4B3C15D3_mC100_15_2f_ef_e7f_ef:Fe-H-O-P,50.0,A4B3C15D3_mC100_15_2f_ef_e7f_ef:Fe-H-O-P +mp-1203127,Fe3P4(H3O5)4,-6.6649401937,-1.8775104393,0.0133101312,0.0133101312,GGA+U,P2_1/c,A3B12C20D4_mP78_14_ae_6e_10e_2e:Fe-H-O-P,78.0,A3B12C20D4_mP78_14_ae_6e_10e_2e:Fe-H-O-P +mp-742859,Fe3P2(HO)16,-6.2067430157,-1.6211401848,0.0175244391,0.0175244391,GGA+U,C2/m,A3B16C16D2_mC74_12_ag_4j_2i3j_i:Fe-H-O-P,37.0,A3B16C16D2_mC74_12_ag_4j_2i3j_i:Fe-H-O-P +mp-735042,FeP3(HO5)2,-7.3307377688,-2.270596023,0.0,-0.0025999894,GGA+U,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Fe-H-O-P,64.0,AB2C10D3_mP64_14_e_2e_10e_3e:Fe-H-O-P +mp-744239,Fe5P4(H3O10)2,-7.2082068666,-1.9712512502,0.0680593109,0.0680593109,GGA+U,C2/c,A5B6C20D4_mC140_15_e2f_3f_10f_2f:Fe-H-O-P,70.0,A5B6C20D4_mC140_15_e2f_3f_10f_2f:Fe-H-O-P +mp-743814,FeP2H2O9,-6.7635527764,-1.7205330111,0.2229723949,0.2229723949,GGA+U,P2_1/c,AB2C9D2_mP56_14_e_2e_9e_2e:Fe-H-O-P,56.0,AB2C9D2_mP56_14_e_2e_9e_2e:Fe-H-O-P +mp-720286,Fe3P2H6O11,-6.3580111263,-1.3122565473,0.5695516698,0.5695516698,GGA+U,Pbcn,A3B6C11D2_oP88_60_ad_3d_c5d_d:Fe-H-O-P,88.0,A3B6C11D2_oP88_60_ad_3d_c5d_d:Fe-H-O-P +mp-1182551,Fe3P2H6O11,-6.9189140731,-1.8731594941,0.008648723,0.008648723,GGA+U,Pbcn,A3B6C11D2_oP88_60_ad_3d_c5d_d:Fe-H-O-P,88.0,A3B6C11D2_oP88_60_ad_3d_c5d_d:Fe-H-O-P +mp-746690,FeP3(H2O3)3,-6.450573905,-1.7354958312000002,0.0900554742,0.0900554742,GGA+U,Cc,AB6C9D3_mC76_9_a_6a_9a_3a:Fe-H-O-P,38.0,AB6C9D3_mC76_9_a_6a_9a_3a:Fe-H-O-P +mp-540712,Fe3P2H3O11,-7.2825837003,-1.9758246159,0.0360679258,0.0360679258,GGA+U,Pbcn,A3B3C11D2_oP76_60_ad_cd_c5d_d:Fe-H-O-P,76.0,A3B3C11D2_oP76_60_ad_cd_c5d_d:Fe-H-O-P +mp-541954,Fe2P2H4O9,-7.0431598479,-1.9927039647,0.0009933093,0.0009933093,GGA+U,P2_1/c,A2B4C9D2_mP68_14_2e_4e_9e_2e:Fe-H-O-P,68.0,A2B4C9D2_mP68_14_2e_4e_9e_2e:Fe-H-O-P +mp-1199228,Fe3P2(HO5)2,-7.5321934094,-2.0916635361,0.0,-0.0070907679,GGA+U,P2_1/c,A3B2C10D2_mP34_14_ae_e_5e_e:Fe-H-O-P,34.0,A3B2C10D2_mP34_14_ae_e_5e_e:Fe-H-O-P +mp-1188668,FePH2O5,-7.034557125,-1.9898660847,0.0,-0.0056269169,GGA+U,C2/c,AB2C5D_mC36_15_c_f_e2f_e:Fe-H-O-P,18.0,AB2C5D_mC36_15_a_f_e2f_e:Fe-H-O-P +mp-697945,K2CdH4(SeO5)2,-5.3502149508,-1.4989885349,0.0,-0.009201288,GGA,P-1,AB4C2D10E2_aP38_2_i_4i_2i_10i_2i:Cd-H-K-O-Se,38.0,AB4C2D10E2_aP38_2_i_4i_2i_10i_2i:Cd-H-K-O-Se +mp-734399,K2Cd(SeO5)2,-5.100540915,-1.1270477335,0.2442021491,0.2442021491,GGA,P-1,AB2C10D2_aP30_2_i_2i_10i_2i:Cd-K-O-Se,30.0,AB2C10D2_aP30_2_i_2i_10i_2i:Cd-K-O-Se +mp-1522448,KCaLaWO6,-7.9034579542,-2.8344311113,0.1325655855,0.1325655855,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ca-K-La-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ca-K-La-O-W, expected K2CaLaWO12 to be KCaLaWO6" +mp-1522338,KCaLaWO6,-7.85205245,-2.7830256071,0.1839710897,0.1839710897,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-La-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-La-O-W +mp-1522074,KCaLaWO6,-7.882383629,-2.813356786,0.1536399107,0.1536399107,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-K-La-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-K-La-O-W +mp-1211473,KLa(WO4)2,-8.6457824804,-2.6844344636,0.0,-0.0284772924,GGA+U,C2/m,ABC8D2_mC48_12_i_g_2i3j_hi:K-La-O-W,24.0,ABC8D2_mC48_12_i_g_2i3j_hi:K-La-O-W +mp-1223495,KLa(WO4)2,-8.5845728758,-2.623224859,0.0612096046,0.0327323122,GGA+U,I-4,ABC8D2_tI24_82_a_c_2g_bd:K-La-O-W,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_3g_bd:K-La-O-W, expected KLa(WO6)2 to be KLa(WO4)2" +mp-1517569,KEuSbWO6,-8.062797452,-2.2493310036,0.1259973015,0.1259973015,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-K-O-Sb-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-K-O-Sb-W, expected K2EuSbWO12 to be KEuSbWO6" +mp-1517639,KEuSbWO6,-8.056095891,-2.2426294425,0.1326988625,0.1326988625,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-W +mp-1523297,KLaMgWO6,-7.855152609,-2.826657749,0.0630011755,0.0630011755,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mg-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mg-O-W +mp-581138,Cs2TiV3(PO6)3,-7.9574154543,-2.6900702952,0.0,-0.032471634,GGA+U,P6cc,A2B18C3DE3_hP108_184_ac_6d_d_b_d:Cs-O-P-Ti-V,108.0,"Invalid WP multiplicities - A2B18C3DE3_hP108_184_2a2c_59d_d_b_d:Cs-O-P-Ti-V, expected Cs4TiV3(PO59)3 to be Cs2TiV3(PO6)3" +mp-1044237,CaTiV(PO4)3,-8.2476958822,-2.9929642144,0.0200651967,0.0200651967,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ca-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ca-O-P-Ti-V, expected CaTiV(PO18)3 to be CaTiV(PO4)3" +mp-781462,Li2V5(PO4)4,-5.9673121522,-0.4103638007,2.1992804695,2.1992804695,GGA+U,P-1,A2B16C4D5_aP27_2_i_8i_2i_a2i:Li-O-P-V,27.0,"Invalid WP multiplicities - A2B16C4D5_aP27_2_i_15i_3i_a3i:Li-O-P-V, expected Li2V7(PO5)6 to be Li2V5(PO4)4" +mp-753500,Li4V(PO4)2,-7.1292825845,-2.6546351018000003,0.0478322013,0.0478322013,GGA+U,P-1,A4B8C2D_aP15_2_2i_4i_i_a:Li-O-P-V,60.0,A4B8C2D_aP15_2_2i_4i_i_a:Li-O-P-V +mp-757313,Li4V(PO4)2,-7.1278164823,-2.6531689997,0.0492983035,0.0492983035,GGA+U,P2_1/c,A4B8C2D_mP60_14_4e_8e_2e_e:Li-O-P-V,60.0,"Invalid WP multiplicities - A4B8C2D_mP60_14_13e_29e_5e_e:Li-O-P-V, expected Li13VP5O29 to be Li4V(PO4)2" +mp-756890,LiV2(PO3)5,-7.8646852543,-2.5888775061,0.0552550274,0.0552550274,GGA+U,Pc,AB15C5D2_mP46_7_a_15a_5a_2a:Li-O-P-V,46.0,"Invalid WP multiplicities - AB15C5D2_mP46_7_a_30a_10a_4a:Li-O-P-V, expected LiV4(PO3)10 to be LiV2(PO3)5" +mp-758404,Li7V2P7O24,-7.3673455152,-2.6637475447,0.0619760581,0.0619760581,GGA+U,P2/c,A7B24C7D2_mP80_13_e3g_12g_f3g_g:Li-O-P-V,80.0,"Invalid WP multiplicities - A7B24C7D2_mP80_13_e10g_41g_f5g_g:Li-O-P-V, expected Li21V2P11O82 to be Li7V2P7O24" +mp-773115,Li4V3P4O15,-7.6349708046,-2.6064727134,0.0636294908,0.0636294908,GGA+U,Pna2_1,A4B15C4D3_oP104_33_4a_15a_4a_3a:Li-O-P-V,104.0,"Invalid WP multiplicities - A4B15C4D3_oP104_33_13a_57a_13a_9a:Li-O-P-V, expected Li13V9P13O57 to be Li4V3P4O15" +mp-850911,Li5Ti3V2(PO4)6,-7.825424678,-2.7604435122,0.1007537299,0.1007537299,GGA+U,P1,A5B24C6D3E2_aP40_1_5a_24a_6a_3a_2a:Li-O-P-Ti-V,40.0,A5B24C6D3E2_aP40_1_5a_24a_6a_3a_2a:Li-O-P-Ti-V +mp-758027,Li2V(PO3)4,-7.5378843734,-2.5949777226,0.0743174815,0.0743174815,GGA+U,P2_1/c,A2B12C4D_mP76_14_2e_12e_4e_e:Li-O-P-V,76.0,"Invalid WP multiplicities - A2B12C4D_mP76_14_3e_45e_11e_e:Li-O-P-V, expected Li3VP11O45 to be Li2V(PO3)4" +mp-697754,Li2V(PO3)4,-7.5864819274,-2.6435752766,0.0257199275,0.0257199275,GGA+U,P2_1/c,A2B12C4D_mP76_14_2e_12e_4e_e:Li-O-P-V,76.0,"Invalid WP multiplicities - A2B12C4D_mP76_14_4e_45e_14e_e:Li-O-P-V, expected Li4VP14O45 to be Li2V(PO3)4" +mp-26689,Li2V(PO3)4,-7.5861914813,-2.6432848305,0.0260103736,0.0260103736,GGA+U,C2/c,A2B12C4D_mC76_15_f_2e5f_2f_e:Li-O-P-V,38.0,"Invalid WP multiplicities - A2B12C4D_mC76_15_f_4e15f_3f_e:Li-O-P-V, expected Li2V(P3O17)2 to be Li2V(PO3)4" +mp-26765,LiV6P7O24,-8.2029935203,-2.5970459965,0.0354821962,0.0354821962,GGA+U,P2_1/m,AB24C7D6_mP76_11_e_2e11f_e3f_3f:Li-O-P-V,76.0,"Invalid WP multiplicities - AB24C7D6_mP76_11_e_4e21f_2e5f_5f:Li-O-P-V, expected LiV10(P6O23)2 to be LiV6P7O24" +mp-758308,Li4V5(P3O11)2,-7.8594618939,-2.6064297722000003,0.0484077946,0.0484077946,GGA+U,P2_1/c,A4B22C6D5_mP74_14_2e_11e_3e_a2e:Li-O-P-V,74.0,"Invalid WP multiplicities - A4B22C6D5_mP74_14_3e_43e_5e_2a4e:Li-O-P-V, expected Li3V5P5O43 to be Li4V5(P3O11)2" +mp-758268,Li4VP2O9,-7.1427542337,-2.6386041743,0.0721436061,0.0721436061,GGA+U,Pna2_1,A4B9C2D_oP64_33_4a_9a_2a_a:Li-O-P-V,64.0,"Invalid WP multiplicities - A4B9C2D_oP64_33_13a_33a_5a_a:Li-O-P-V, expected Li13VP5O33 to be Li4VP2O9" +mp-758466,Li4VP2O9,-7.1312158966,-2.6270658371,0.0836819433,0.0836819433,GGA+U,Pnma,A4B9C2D_oP64_62_2d_c4d_d_c:Li-O-P-V,64.0,"Invalid WP multiplicities - A4B9C2D_oP64_62_5d_4c13d_d_c:Li-O-P-V, expected Li10V(PO15)2 to be Li4VP2O9" +mp-757584,Li4VP2O9,-7.1320350981,-2.6278850387,0.0828627417,0.0828627417,GGA+U,Cmme,A4B9C2D_oC64_67_adn_g2no_n_c:Li-O-P-V,32.0,"Invalid WP multiplicities - A4B9C2D_oC64_67_ad2n_g4n2o_n_c:Li-O-P-V, expected Li6VP2O17 to be Li4VP2O9" +mp-759481,Li2V2(PO4)3,-7.8277888884,-2.6916925764,0.006728659,0.006728659,GGA+U,P1,A2B12C3D2_aP76_1_8a_48a_12a_8a:Li-O-P-V,76.0,A2B12C3D2_aP76_1_8a_48a_12a_8a:Li-O-P-V +mp-758511,Li2V2(PO4)3,-7.829744597899999,-2.6936482859,0.0047729495,0.0047729495,GGA+U,P-1,A2B12C3D2_aP38_2_2i_12i_3i_2i:Li-O-P-V,38.0,"Invalid WP multiplicities - A2B12C3D2_aP38_2_3i_23i_5i_3i:Li-O-P-V, expected Li3V3P5O23 to be Li2V2(PO4)3" +mp-1177831,Li2V2(PO4)3,-7.8247105713,-2.6886142593,0.0098069761,0.0098069761,GGA+U,P-1,A2B12C3D2_aP38_2_2i_12i_3i_2i:Li-O-P-V,38.0,"Invalid WP multiplicities - A2B12C3D2_aP38_2_3i_23i_5i_3i:Li-O-P-V, expected Li3V3P5O23 to be Li2V2(PO4)3" +mp-26957,Li2V2(PO4)3,-7.8293595916,-2.6932632796,0.0051579558,0.0051579558,GGA+U,P2_1/c,A2B12C3D2_mP76_14_2e_12e_3e_2e:Li-O-P-V,76.0,"Invalid WP multiplicities - A2B12C3D2_oP76_60_d_37d_3c2d_d:Li-O-P-V, expected Li2V2P7O74 to be Li2V2(PO4)3" +mp-849317,Li2V2(PO4)3,-7.8329809004,-2.6968845884,0.001536647,0.001536647,GGA+U,P2_1/c,A2B12C3D2_mP76_14_2e_12e_3e_2e:Li-O-P-V,76.0,"Invalid WP multiplicities - A2B12C3D2_mP76_14_5e_45e_11e_3e:Li-O-P-V, expected Li5V3P11O45 to be Li2V2(PO4)3" +mp-1199961,Li2V2(PO4)3,-7.8317860484,-2.6956897364,0.002731499,0.002731499,GGA+U,Pbcn,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-P-V,76.0,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-P-V +mp-761049,Li9V3P8O29,-7.4318283006,-2.7136157151,0.0172665221,0.0172665221,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-761083,Li9V3P8O29,-7.42950668,-2.7112940945,0.0195881427,0.0195881427,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-761091,Li9V3P8O29,-7.4303245997,-2.7121120142,0.018770223,0.018770223,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-759741,Li9V3P8O29,-7.4234922151,-2.7052796296,0.0256026076,0.0256026076,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-760818,Li9V3P8O29,-7.4299091991,-2.7116966136,0.0191856237,0.0191856237,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-760842,Li9V3P8O29,-7.4171858201,-2.6989732346,0.0319090026,0.0319090026,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-761055,Li9V3P8O29,-7.4214376961,-2.7032251106,0.0276571266,0.0276571266,GGA+U,P1,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V,98.0,A9B29C8D3_aP98_1_18a_58a_16a_6a:Li-O-P-V +mp-27013,Li9V3P8O29,-7.4489310545,-2.730718469,0.0001637682,0.0001637682,GGA+U,P-3c1,A9B29C8D3_hP98_165_bdg_df4g_dg_f:Li-O-P-V,98.0,A9B29C8D3_hP98_165_bdg_df4g_dg_f:Li-O-P-V +mp-759626,Li5V3P8O29,-7.5853258727,-2.6173986455,0.0358640541,0.0358640541,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759175,Li5V3P8O29,-7.5840644007,-2.6161371735,0.0371255261,0.0371255261,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759548,Li5V3P8O29,-7.5872402954,-2.6193130683,0.0339496313,0.0339496313,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759335,Li5V3P8O29,-7.5879944087,-2.6200671815,0.0331955181,0.0331955181,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759995,Li5V3P8O29,-7.5891976992,-2.621270472,0.0319922275,0.0319922275,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-850001,Li5V3P8O29,-7.5866011371,-2.6186739099,0.0345887896,0.0345887896,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773083,Li5V3P8O29,-7.5842876854,-2.6163604583,0.0369022413,0.0369022413,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-772729,Li5V3P8O29,-7.5876223036,-2.6196950764,0.0335676232,0.0335676232,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773095,Li5V3P8O29,-7.5873840528,-2.6194568256,0.033805874,0.033805874,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773108,Li5V3P8O29,-7.586295781,-2.6183685538,0.0348941458,0.0348941458,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773232,Li5V3P8O29,-7.586089752,-2.6181625248,0.0351001748,0.0351001748,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759762,Li5V3P8O29,-7.5844259494,-2.6164987223,0.0367639773,0.0367639773,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765196,Li5V3P8O29,-7.587007825,-2.6190805978,0.0341821018,0.0341821018,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765130,Li5V3P8O29,-7.5850477412,-2.617120514,0.0361421855,0.0361421855,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765197,Li5V3P8O29,-7.5828564016,-2.6149291744000003,0.0383335252,0.0383335252,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765231,Li5V3P8O29,-7.5891060164,-2.6211787893,0.0320839103,0.0320839103,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765158,Li5V3P8O29,-7.5843574413,-2.6164302142,0.0368324854,0.0368324854,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765199,Li5V3P8O29,-7.5841664781,-2.6162392509,0.0370234486,0.0370234486,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773479,Li5V3P8O29,-7.5843676967,-2.6164404695,0.0368222301,0.0368222301,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773480,Li5V3P8O29,-7.5861256686,-2.6181984414,0.0350642582,0.0350642582,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773580,Li5V3P8O29,-7.5868524516,-2.6189252244,0.0343374752,0.0343374752,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-775382,Li5V3P8O29,-7.5870879119,-2.6191606847,0.0341020149,0.0341020149,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773571,Li5V3P8O29,-7.5873173702,-2.619390143,0.0338725565,0.0338725565,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765045,Li5V3P8O29,-7.5833306568,-2.6154034296,0.03785927,0.03785927,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765080,Li5V3P8O29,-7.5826770689,-2.6147498417,0.0385128579,0.0385128579,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765083,Li5V3P8O29,-7.5861057302,-2.618178503,0.0350841965,0.0350841965,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765084,Li5V3P8O29,-7.5856134299,-2.6176862027,0.0355764969,0.0355764969,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765086,Li5V3P8O29,-7.580406723,-2.6124794958,0.0407832038,0.0407832038,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765088,Li5V3P8O29,-7.5845086137,-2.6165813865,0.0366813131,0.0366813131,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765137,Li5V3P8O29,-7.587417427,-2.6194901998,0.0337724998,0.0337724998,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765155,Li5V3P8O29,-7.5886233107,-2.6206960835,0.0325666161,0.0325666161,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-760183,Li5V3P8O29,-7.5833593358,-2.6154321086,0.037830591,0.037830591,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-760071,Li5V3P8O29,-7.5860623453,-2.6181351182,0.0351275814,0.0351275814,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177046,Li5V3P8O29,-7.5868671866,-2.6189399594,0.0343227402,0.0343227402,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773042,Li5V3P8O29,-7.5798876493,-2.6119604222,0.0413022774,0.0413022774,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177051,Li5V3P8O29,-7.5845956372,-2.61666841,0.0365942895,0.0365942895,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177053,Li5V3P8O29,-7.5860238596,-2.6180966324,0.0351660672,0.0351660672,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177055,Li5V3P8O29,-7.5832776286,-2.6153504014,0.0379122982,0.0379122982,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177056,Li5V3P8O29,-7.5852521366,-2.6173249094,0.0359377902,0.0359377902,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177058,Li5V3P8O29,-7.5883746382,-2.620447411,0.0328152885,0.0328152885,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177062,Li5V3P8O29,-7.583780778399999,-2.6158535513,0.0374091483,0.0374091483,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177064,Li5V3P8O29,-7.5891838058,-2.6212565786,0.032006121,0.032006121,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177065,Li5V3P8O29,-7.5866566251,-2.6187293979,0.0345333016,0.0345333016,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177067,Li5V3P8O29,-7.586222951,-2.6182957238,0.0349669758,0.0349669758,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177073,Li5V3P8O29,-7.5864036268,-2.6184763996,0.0347863,0.0347863,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-760076,Li5V3P8O29,-7.5841292198,-2.6162019926,0.037060707,0.037060707,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765219,Li5V3P8O29,-7.585383377,-2.6174561498,0.0358065498,0.0358065498,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177077,Li5V3P8O29,-7.5836333991,-2.6157061719,0.0375565276,0.0375565276,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177080,Li5V3P8O29,-7.586657856,-2.6187306288,0.0345320708,0.0345320708,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759834,Li5V3P8O29,-7.5861477353,-2.6182205082000003,0.0350421914,0.0350421914,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177086,Li5V3P8O29,-7.5875616751,-2.6196344479,0.0336282516,0.0336282516,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177088,Li5V3P8O29,-7.5870205463,-2.6190933192,0.0341693804,0.0341693804,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759905,Li5V3P8O29,-7.5874301307,-2.6195029035,0.0337597961,0.0337597961,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177091,Li5V3P8O29,-7.5856352682,-2.617708041,0.0355546585,0.0355546585,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177092,Li5V3P8O29,-7.5867299011,-2.6188026739,0.0344600256,0.0344600256,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177093,Li5V3P8O29,-7.5884912266,-2.6205639994,0.0326987002,0.0326987002,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773422,Li5V3P8O29,-7.5834837628,-2.6155565356,0.037706164,0.037706164,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177165,Li5V3P8O29,-7.5871311878,-2.6192039606,0.034058739,0.034058739,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177169,Li5V3P8O29,-7.5845251287,-2.6165979015,0.0366647981,0.0366647981,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177170,Li5V3P8O29,-7.585119301,-2.6171920738,0.0360706258,0.0360706258,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177180,Li5V3P8O29,-7.5873351916,-2.6194079644,0.0338547352,0.0338547352,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177181,Li5V3P8O29,-7.5850411276,-2.6171139004,0.0361487992,0.0361487992,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177186,Li5V3P8O29,-7.5783230449,-2.6103958177,0.0428668819,0.0428668819,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-773559,Li5V3P8O29,-7.5849639652,-2.617036738,0.0362259615,0.0362259615,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177217,Li5V3P8O29,-7.5894373817,-2.6215101545,0.0317525451,0.0317525451,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177238,Li5V3P8O29,-7.5894894811,-2.6215622539,0.0317004456,0.0317004456,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177248,Li5V3P8O29,-7.5836584946,-2.6157312674,0.0375314322,0.0375314322,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-1177250,Li5V3P8O29,-7.5808808456,-2.6129536184,0.0403090812,0.0403090812,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-759944,Li5V3P8O29,-7.579918346899999,-2.6119911197,0.0412715799,0.0412715799,GGA+U,P1,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V,90.0,A5B29C8D3_aP90_1_10a_58a_16a_6a:Li-O-P-V +mp-765148,Li5V3P8O29,-7.5869362526,-2.6190090254,0.0342536742,0.0342536742,GGA+U,P-1,A5B29C8D3_aP90_2_5i_29i_8i_3i:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_aP90_2_9i_57i_15i_3i:Li-O-P-V, expected Li3VP5O19 to be Li5V3P8O29" +mp-849999,Li5V3P8O29,-7.5852093777,-2.6172821505,0.0359805491,0.0359805491,GGA+U,C2,A5B29C8D3_mC180_5_5c_ab28c_8c_ab2c:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_5_8c_ab56c_14c_ab3c:Li-O-P-V, expected Li8V4P14O57 to be Li5V3P8O29" +mp-1177130,Li5V3P8O29,-7.5833976049,-2.6154703777,0.0377923219,0.0377923219,GGA+U,C2,A5B29C8D3_mC180_5_5c_ab28c_8c_ab2c:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_5_8c_ab55c_14c_ab4c:Li-O-P-V, expected Li8V5(PO4)14 to be Li5V3P8O29" +mp-759789,Li5V3P8O29,-7.5855049322,-2.617577705,0.0356849945,0.0356849945,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_8a_56a_14a_6a:Li-O-P-V, expected Li4V3(PO4)7 to be Li5V3P8O29" +mp-758864,Li5V3P8O29,-7.5878731477,-2.6199459205,0.0333167791,0.0333167791,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_8a_56a_14a_6a:Li-O-P-V, expected Li4V3(PO4)7 to be Li5V3P8O29" +mp-851088,Li5V3P8O29,-7.5833413252,-2.615414098,0.0378486015,0.0378486015,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_7a_56a_14a_5a:Li-O-P-V, expected Li7V5(PO4)14 to be Li5V3P8O29" +mp-759994,Li5V3P8O29,-7.5890228227,-2.6210955955,0.0321671041,0.0321671041,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_7a_56a_14a_5a:Li-O-P-V, expected Li7V5(PO4)14 to be Li5V3P8O29" +mp-1177059,Li5V3P8O29,-7.5866481511,-2.6187209239,0.0345417756,0.0345417756,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_9a_56a_12a_5a:Li-O-P-V, expected Li9V5(P3O14)4 to be Li5V3P8O29" +mp-1177126,Li5V3P8O29,-7.5863754827,-2.6184482555,0.0348144441,0.0348144441,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_8a_56a_14a_5a:Li-O-P-V, expected Li8V5(PO4)14 to be Li5V3P8O29" +mp-759298,Li5V3P8O29,-7.5861515221,-2.6182242949,0.0350384046,0.0350384046,GGA+U,Cc,A5B29C8D3_mC180_9_5a_29a_8a_3a:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_9_9a_56a_14a_4a:Li-O-P-V, expected Li9V4(PO4)14 to be Li5V3P8O29" +mp-760779,Li5V3P8O29,-7.583685122,-2.6157578948,0.0375048048,0.0375048048,GGA+U,C2/c,A5B29C8D3_mC180_15_a2f_e14f_4f_ef:Li-O-P-V,90.0,"Invalid WP multiplicities - A5B29C8D3_mC180_15_c3f_2e53f_11f_ef:Li-O-P-V, expected Li7V3(P11O54)2 to be Li5V3P8O29" +mp-758869,LiV2(PO4)3,-7.9553779994,-2.6399942738,0.0162020756,0.0055825837,GGA+U,P1,AB12C3D2_aP72_1_4a_48a_12a_8a:Li-O-P-V,72.0,AB12C3D2_aP72_1_4a_48a_12a_8a:Li-O-P-V +mp-858880,LiV2(PO4)3,-2.9918239506,2.3235597751,4.9797561244,4.9691366326,GGA+U,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-V, expected LiV3P5O23 to be LiV2(PO4)3" +mp-849376,LiV2(PO4)3,-7.9572287092,-2.6418449835,0.0143513658,0.003731874,GGA+U,P-1,AB12C3D2_aP36_2_i_12i_3i_2i:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_aP36_2_i_23i_5i_3i:Li-O-P-V, expected LiV3P5O23 to be LiV2(PO4)3" +mp-697749,LiV2(PO4)3,-7.9598318364,-2.6444481107,0.0117482386,0.0011287468,GGA+U,Cc,AB12C3D2_mC72_9_a_12a_3a_2a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_9_a_23a_5a_2a:Li-O-P-V, expected LiV2P5O23 to be LiV2(PO4)3" +mp-1101492,LiV2(PO4)3,-7.9701955294,-2.6548118038,0.0013845456,-0.0092349463,GGA+U,Cc,AB12C3D2_mC72_9_a_12a_3a_2a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_9_a_23a_4a_2a:Li-O-P-V, expected LiV2P4O23 to be LiV2(PO4)3" +mp-1101601,LiV2(PO4)3,-7.971580075,-2.6561963494,0.0,-0.0106194918,GGA+U,P2/c,AB12C3D2_mP72_13_ab_12g_ef2g_2g:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_13_2ab_47g_2ef5g_5g:Li-O-P-V, expected Li3V10P13O94 to be LiV2(PO4)3" +mp-849421,LiV2(PO4)3,-7.9588359704,-2.6434522448,0.0127441046,0.0021246128,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_11e_3e:Li-O-P-V, expected LiV3P11O45 to be LiV2(PO4)3" +mp-26123,LiV2(PO4)3,-7.9634109814,-2.6480272557,0.0081690936,-0.0024503982,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_47e_11e_3e:Li-O-P-V, expected LiV3P11O47 to be LiV2(PO4)3" +mp-776244,LiV2(PO4)3,-7.9528013771,-2.6374176514,0.0187786979,0.0081592061,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_5e:Li-O-P-V, expected LiV5(PO5)9 to be LiV2(PO4)3" +mp-758644,LiV2(PO4)3,-7.913553235,-2.5981695094,0.05802684,0.0474073482,GGA+U,C2/c,AB12C3D2_mC72_15_a_6f_ef_f:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_15_c_21f_ef_f:Li-O-P-V, expected LiV2(PO14)3 to be LiV2(PO4)3" +mp-26904,LiV2(PO4)3,-7.88815101,-2.5727672844,0.083429065,0.0728095732,GGA+U,C2/c,AB12C3D2_mC72_15_a_6f_ef_f:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_15_a_21f_2ef_f:Li-O-P-V, expected LiV2(P2O21)2 to be LiV2(PO4)3" +mp-758401,LiV2(PO4)3,-7.9008481044,-2.5854643788,0.0707319706,0.0601124787,GGA+U,C2/c,AB12C3D2_mC72_15_e_6f_ef_f:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_15_e_19f_ef_f:Li-O-P-V, expected LiV2P3O38 to be LiV2(PO4)3" +mp-1101493,LiV2(PO4)3,-7.9708138803,-2.6554301546,0.0007661947,-0.0098532971,GGA+U,C2/c,AB12C3D2_mC72_15_c_6f_ef_f:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_15_a_22f_2ef_f:Li-O-P-V, expected LiV2(PO11)4 to be LiV2(PO4)3" +mp-758344,LiV2(PO4)3,-7.8933543928,-2.5779706671,0.0782256822,0.0676061904,GGA+U,Pbcm,AB12C3D2_oP72_57_d_2d5e_ce_e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_oP72_57_d_4d9e_2ce_e:Li-O-P-V, expected LiV2(P2O11)2 to be LiV2(PO4)3" +mp-26712,LiV2(PO4)3,-7.9699436917,-2.654559966,0.0016363833,-0.0089831085,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_12f_e_c:Li-O-P-V, expected LiV2(PO24)3 to be LiV2(PO4)3" +mp-1178192,Li15V6(P8O29)2,-7.5092351179,-2.7023081202,0.0145031981,0.0145031981,GGA+U,P1,A15B58C16D6_aP95_1_15a_58a_16a_6a:Li-O-P-V,95.0,A15B58C16D6_aP95_1_15a_58a_16a_6a:Li-O-P-V +mp-26707,LiV3(P3O10)2,-7.9620524088,-2.6095780641,0.0789637107,0.0789637107,GGA+U,C222_1,AB20C6D3_oC120_20_a_10c_3c_a2b:Li-O-P-V,60.0,"Invalid WP multiplicities - AB20C6D3_oC120_20_a_19c_5c_2a3b:Li-O-P-V, expected LiV5(P5O19)2 to be LiV3(P3O10)2" +mp-25911,LiV3(P3O10)2,-7.998307639,-2.6458332943,0.0427084805,0.0427084805,GGA+U,Aea2,AB20C6D3_oC120_41_a_10b_3b_ab:Li-O-P-V,60.0,"Invalid WP multiplicities - AB20C6D3_oC120_41_a_15b_5b_2ab:Li-O-P-V, expected LiV4(PO3)10 to be LiV3(P3O10)2" +mp-757786,Li2V3P9O28,-7.8242104674,-2.6266730765,0.053427233,0.053427233,GGA+U,P-1,A2B28C9D3_aP42_2_i_14i_b4i_di:Li-O-P-V,42.0,"Invalid WP multiplicities - A2B28C9D3_aP42_2_i_28i_b8i_di:Li-O-P-V, expected Li2V3P17O56 to be Li2V3P9O28" +mp-689929,LiV(PO4)2,-7.6145109533,-2.4984323167,0.087102191,0.087102191,GGA+U,P1,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-P-V,36.0,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-P-V +mp-32471,LiV(PO4)2,-7.6401487383,-2.5240701017,0.061464406,0.061464406,GGA+U,P1,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-P-V,36.0,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-P-V +mp-26416,LiV(PO4)2,-7.5966278392,-2.4805492025,0.1049853051,0.1049853051,GGA+U,P2_1,AB8C2D_mP24_4_a_8a_2a_a:Li-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mP24_4_a_14a_2a_a:Li-O-P-V, expected LiV(PO7)2 to be LiV(PO4)2" +mp-767644,LiV(PO4)2,-7.6193583642,-2.5032797275,0.0822547801,0.0822547801,GGA+U,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Li-O-P-V,12.0,"Invalid WP multiplicities - AB8C2D_mC24_12_a_4ij_i_d:Li-O-P-V, expected LiV(PO6)2 to be LiV(PO4)2" +mp-753696,LiV(PO4)2,-7.6080849517,-2.492006315,0.0935281926,0.0935281926,GGA+U,P2_1/c,AB8C2D_mP24_14_a_4e_e_d:Li-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mP24_14_a_15e_e_d:Li-O-P-V, expected LiV(PO15)2 to be LiV(PO4)2" +mp-766050,LiV(PO4)2,-7.6248453142,-2.5087666775,0.0767678301,0.0767678301,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Li-O-P-V,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_29e_5e_e:Li-O-P-V, expected LiVP5O29 to be LiV(PO4)2" +mp-32465,LiV(PO4)2,-7.6687900879,-2.5527114512,0.0328230564,0.0328230564,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Li-O-P-V,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_28e_8e_e:Li-O-P-V, expected LiV(P2O7)4 to be LiV(PO4)2" +mp-26896,LiV(PO4)2,-7.6332547767,-2.51717614,0.0683583676,0.0683583676,GGA+U,C2/c,AB8C2D_mC48_15_e_4f_f_a:Li-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_mC48_15_e_11f_f_c:Li-O-P-V, expected LiV(PO11)2 to be LiV(PO4)2" +mp-26948,LiV(PO4)2,-7.58131421,-2.4652355733,0.1202989343,0.1202989343,GGA+U,Pmc2_1,AB8C2D_oP24_26_a_2a2b2c_ab_b:Li-O-P-V,24.0,"Invalid WP multiplicities - AB8C2D_oP24_26_a_2a2b4c_ab_b:Li-O-P-V, expected LiV(PO6)2 to be LiV(PO4)2" +mp-1013878,LiV3P3O13,-8.1582971432,-2.6729220511,0.0151655154,0.0151655154,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Li-O-P-V,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Li-O-P-V, expected LiV5P3O34 to be LiV3P3O13" +mp-775928,Li2VPO5,-7.3981858789,-2.6150194493,0.08917005,0.08917005,GGA+U,P1,A2B5CD_aP36_1_8a_20a_4a_4a:Li-O-P-V,36.0,A2B5CD_aP36_1_8a_20a_4a_4a:Li-O-P-V +mp-1147744,Li2VPO5,-7.4060574364,-2.6228910068,0.0812984925,0.0812984925,GGA+U,P-1,A2B5CD_aP36_2_bc3i_10i_2i_2i:Li-O-P-V,36.0,A2B5CD_aP36_2_bc3i_10i_2i_2i:Li-O-P-V +mp-757041,Li2VPO5,-7.4099080101,-2.6267415806,0.0774479187,0.0774479187,GGA+U,P2_1/c,A2B5CD_mP72_14_4e_10e_2e_2e:Li-O-P-V,72.0,"Invalid WP multiplicities - A2B5CD_mP72_14_13e_37e_7e_7e:Li-O-P-V, expected Li13V7P7O37 to be Li2VPO5" +mp-780725,Li2VPO5,-7.4110379169,-2.6278714874,0.0763180119,0.0763180119,GGA+U,Pmn2_1,A2B5CD_oP18_31_b_3ab_a_a:Li-O-P-V,36.0,A2B5CD_oP18_31_b_3ab_a_a:Li-O-P-V +mp-758994,Li6Ti3V(PO4)6,-7.7033007148,-2.817694129,0.0735733741,0.0735733741,GGA+U,P1,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Ti-V,40.0,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Ti-V +mp-772948,Li7V7(P4O17)2,-7.7613664075,-2.6105871433,0.1037270744,0.1037270744,GGA+U,P2_1/c,A7B34C8D7_mP112_14_a3e_17e_4e_b3e:Li-O-P-V,112.0,"Invalid WP multiplicities - A7B34C8D7_mP112_14_2a8e_65e_15e_2b11e:Li-O-P-V, expected Li9V12(P3O13)5 to be Li7V7(P4O17)2" +mp-25811,Li3V2P5O16,-7.6494432087,-2.6452850297,0.0352660631,0.0352660631,GGA+U,P2/c,A3B16C5D2_mP52_13_eg_8g_f2g_g:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C5D2_mP52_13_2e3g_29g_2f7g_g:Li-O-P-V, expected Li4VP8O29 to be Li3V2P5O16" +mp-616566,Li2VPO6,-7.3725740805,-2.5730554228,0.0136926846,0.0136926846,GGA+U,Pna2_1,A2B6CD_oP40_33_2a_6a_a_a:Li-O-P-V,40.0,A2B6CD_oP40_33_2a_6a_a_a:Li-O-P-V +mp-757805,LiV(PO3)4,-7.6983095094,-2.586848204,0.0864511294,0.0810299065,GGA+U,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-V, expected LiVP7O23 to be LiV(PO3)4" +mp-26719,LiV(PO3)4,-7.7465939067,-2.6351326012,0.0381667322,0.0327455093,GGA+U,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_22a_8a_a:Li-O-P-V, expected LiV(P4O11)2 to be LiV(PO3)4" +mp-757353,LiV(PO3)4,-7.7147032981,-2.6032419926,0.0700573408,0.0646361179,GGA+U,P2_1,AB12C4D_mP36_4_a_12a_4a_a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mP36_4_a_23a_7a_a:Li-O-P-V, expected LiVP7O23 to be LiV(PO3)4" +mp-1101503,LiV(PO3)4,-7.7426497461,-2.6311884406,0.0421108928,0.0366896699,GGA+U,P2_1,AB12C4D_mP72_4_2a_24a_8a_2a:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C4D_mP72_4_3a_46a_16a_2a:Li-O-P-V, expected Li3V2(P8O23)2 to be LiV(PO3)4" +mp-32523,LiV(PO3)4,-7.7647078931,-2.6532465876,0.0200527458,0.0146315229,GGA+U,Cc,AB12C4D_mC72_9_a_12a_4a_a:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_9_a_23a_7a_a:Li-O-P-V, expected LiVP7O23 to be LiV(PO3)4" +mp-757575,LiV(PO3)4,-7.7090557678,-2.5975944623,0.0757048711,0.0702836482,GGA+U,C2/m,AB12C4D_mC72_12_e_gi5j_2j_i:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_e_h2i9j_3j_i:Li-O-P-V, expected LiV(P2O7)3 to be LiV(PO3)4" +mp-32502,LiV(PO3)4,-7.7515148672,-2.6400535618000003,0.0332457717,0.0278245488,GGA+U,C2/m,AB12C4D_mC72_12_i_gi5j_2j_e:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_12_i_2g2i17j_4j_f:Li-O-P-V, expected LiV(P4O19)2 to be LiV(PO3)4" +mp-758021,LiV(PO3)4,-7.7097584817,-2.5982971762,0.0750021572,0.0695809343,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-V, expected LiVP15O47 to be LiV(PO3)4" +mp-758458,LiV(PO3)4,-7.718569709,-2.6071084036,0.0661909299,0.0607697069,GGA+U,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_47e_15e_e:Li-O-P-V, expected LiVP15O47 to be LiV(PO3)4" +mp-758085,LiV(PO3)4,-7.7136502936,-2.6021889881,0.0711103453,0.0656891224,GGA+U,C2/c,AB12C4D_mC72_15_a_6f_2f_e:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-V, expected LiV(P5O23)2 to be LiV(PO3)4" +mp-26865,LiV(PO3)4,-7.7390613767,-2.6276000712,0.0456992622,0.0402780393,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_21f_5f_e:Li-O-P-V, expected LiV(P5O21)2 to be LiV(PO3)4" +mp-26199,LiV(PO3)4,-7.7694345636,-2.6579732581,0.0153260753,0.0099048524,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_7f_c:Li-O-P-V, expected LiV(P7O23)2 to be LiV(PO3)4" +mp-26915,LiV(PO3)4,-7.7505126744,-2.639051369,0.0342479644,0.0288267415,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_22f_2f_e:Li-O-P-V, expected LiV(PO11)4 to be LiV(PO3)4" +mp-1176577,LiV(PO3)4,-7.7659418508,-2.6544805454,0.0188187881,0.0133975651,GGA+U,C2/c,AB12C4D_mC72_15_c_6f_2f_e:Li-O-P-V,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_c_23f_5f_e:Li-O-P-V, expected LiV(P5O23)2 to be LiV(PO3)4" +mp-758032,LiV(PO3)4,-7.7082249156,-2.5967636101,0.0765357233,0.0711145004,GGA+U,C222_1,AB12C4D_oC144_20_c_12c_ab3c_c:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C4D_oC144_20_c_23c_2ab6c_c:Li-O-P-V, expected Li2V2P15O46 to be LiV(PO3)4" +mp-26955,LiV(PO3)4,-7.7847606389,-2.6732993334,0.0,-0.0054212229,GGA+U,Pbcn,AB12C4D_oP72_60_c_6d_2d_c:Li-O-P-V,72.0,"Invalid WP multiplicities - AB12C4D_oP72_60_c_41d_10d_c:Li-O-P-V, expected LiV(P10O41)2 to be LiV(PO3)4" +mp-752741,LiVPO4,-7.7394562382,-2.5690439113,0.0743760736,0.073756172,GGA+U,P-1,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-P-V,28.0,AB4CD_aP28_2_2i_8i_2i_2i:Li-O-P-V +mp-752708,LiVPO4,-7.7379335314,-2.5675212045,0.0758987804,0.0752788788,GGA+U,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-P-V,28.0,AB4CD_mP28_14_e_4e_e_e:Li-O-P-V +mp-757189,LiVPO4,-7.7387493059,-2.568336979,0.0750830059,0.0744631043,GGA+U,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Li-O-P-V,56.0,"Invalid WP multiplicities - AB4CD_mP56_14_3e_31e_3e_3e:Li-O-P-V, expected Li3V3P3O31 to be LiVPO4" +mp-765022,LiVPO4,-7.8031295517,-2.6327172248,0.0107027601,0.0100828586,GGA+U,Pna2_1,AB4CD_oP84_33_3a_12a_3a_3a:Li-O-P-V,84.0,"Invalid WP multiplicities - AB4CD_oP84_33_9a_45a_9a_9a:Li-O-P-V, expected LiVPO5 to be LiVPO4" +mp-763489,LiVPO4,-7.730642855,-2.5602305281,0.0831894568,0.0825695552,GGA+U,Fdd2,AB4CD_oF56_43_a_2b_a_a:Li-O-P-V,14.0,AB4CD_oF56_43_a_2b_a_a:Li-O-P-V +mp-757319,LiVPO4,-7.803990283,-2.6335779561,0.0098420288,0.0092221273,GGA+U,Pbcn,AB4CD_oP84_60_cd_6d_cd_ad:Li-O-P-V,84.0,"Invalid WP multiplicities - AB4CD_oP84_60_2c3d_25d_2c3d_3a2d:Li-O-P-V, expected Li8V7(P4O25)2 to be LiVPO4" +mp-757264,LiVPO4,-7.7260326146,-2.5556202877,0.0877996971,0.0871797956,GGA+U,Pbca,AB4CD_oP56_61_c_4c_c_c:Li-O-P-V,56.0,"Invalid WP multiplicities - AB4CD_oP56_61_c_13c_c_c:Li-O-P-V, expected LiVPO13 to be LiVPO4" +mp-752431,LiVPO4,-7.7931920246,-2.6227796977,0.0206402871,0.0200203856,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_a:Li-O-P-V,28.0,AB4CD_oP28_62_c_2cd_c_a:Li-O-P-V +mp-25422,LiVPO4,-7.8075528918,-2.6371405649,0.00627942,0.0056595184,GGA+U,Pnma,AB4CD_oP28_62_a_2cd_c_c:Li-O-P-V,28.0,"Invalid WP multiplicities - AB4CD_oP28_62_a_5c3d_c_c:Li-O-P-V, expected LiVPO11 to be LiVPO4" +mp-26127,LiVPO4,-7.8138323118,-2.6434199849,0.0,-0.0006199016,GGA+U,Cmcm,AB4CD_oC28_63_c_fg_c_a:Li-O-P-V,28.0,AB4CD_oC28_63_c_fg_c_a:Li-O-P-V +mp-773097,LiVPO4,-7.7428376479,-2.572425321,0.0709946639,0.0703747624,GGA+U,Imma,AB4CD_oI28_74_a_hi_e_c:Li-O-P-V,28.0,AB4CD_oI28_74_a_hi_e_c:Li-O-P-V +mp-849749,LiVPO4,-7.7608311864,-2.5904188595,0.0530011254,0.0523812238,GGA+U,R-3,AB4CD_hR42_148_c_cf_c_c:Li-O-P-V,28.0,AB4CD_hR42_148_c_cf_c_c:Li-O-P-V +mp-757322,LiVPO4,-7.7492351286,-2.5788228017,0.0645971832,0.0639772817,GGA+U,P31c,AB4CD_hP42_159_c_a2b3c_a2b_c:Li-O-P-V,42.0,"Invalid WP multiplicities - AB4CD_hP42_159_c_a4b16c_a4b_c:Li-O-P-V, expected Li3V3P5O53 to be LiVPO4" +mp-849426,Li5V4(PO4)6,-7.7637391559,-2.7103908809,0.0045464682,0.0045464682,GGA+U,Pc,A5B24C6D4_mP78_7_5a_24a_6a_4a:Li-O-P-V,78.0,A5B24C6D4_mP78_7_10a_48a_12a_8a:Li-O-P-V +mp-771281,Li5V4(PO4)6,-7.7603684227,-2.7070201477,0.0079172014,0.0079172014,GGA+U,Pc,A5B24C6D4_mP78_7_5a_24a_6a_4a:Li-O-P-V,78.0,A5B24C6D4_mP78_7_10a_48a_12a_8a:Li-O-P-V +mp-32516,LiV2P3O11,-8.0121613782,-2.6750897106,0.038237769,0.038237769,GGA+U,C2,AB11C3D2_mC68_5_c_ab10c_ab2c_2c:Li-O-P-V,34.0,"Invalid WP multiplicities - AB11C3D2_mC68_5_c_ab20c_ab4c_3c:Li-O-P-V, expected LiV3P5O21 to be LiV2P3O11" +mp-760985,Li9V4(PO4)6,-7.4083328884,-2.6474893026,0.0466590885,0.0466590885,GGA+U,P1,A9B24C6D4_aP43_1_9a_24a_6a_4a:Li-O-P-V,43.0,A9B24C6D4_aP43_1_9a_24a_6a_4a:Li-O-P-V +mp-729675,Li7V8(PO4)12,-7.8673292459,-2.6882039546,8.33081e-05,8.33081e-05,GGA+U,P1,A7B48C12D8_aP75_1_7a_48a_12a_8a:Li-O-P-V,75.0,A7B48C12D8_aP75_1_7a_48a_12a_8a:Li-O-P-V +mp-758250,Li6V9(PO4)8,-7.91770908,-2.5575427047,0.069363204,0.069363204,GGA+U,P-1,A6B32C8D9_aP55_2_3i_16i_4i_bcd3i:Li-O-P-V,55.0,"Invalid WP multiplicities - A6B32C8D9_aP55_2_5i_31i_7i_bcd6i:Li-O-P-V, expected Li10V15(P7O31)2 to be Li6V9(PO4)8" +mp-1177763,Li3V5P7O29,-7.8906983814,-2.6067577195,0.0514687216,0.0514687216,GGA+U,P1,A3B29C7D5_aP88_1_6a_58a_14a_10a:Li-O-P-V,88.0,A3B29C7D5_aP88_1_6a_58a_14a_10a:Li-O-P-V +mp-26101,Li3V3(PO4)4,-7.8547934677,-2.7094582286,0.0130549081,0.0130549081,GGA+U,P1,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-V,78.0,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-V +mp-758358,Li3V3(PO4)4,-7.8092465945,-2.6639113554,0.0586017813,0.0586017813,GGA+U,P1,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-V,78.0,A3B16C4D3_aP78_1_9a_48a_12a_9a:Li-O-P-V +mp-757990,Li3V3(PO4)4,-7.816430945,-2.6710957059,0.0514174308,0.0514174308,GGA+U,P-1,A3B16C4D3_aP52_2_3i_16i_4i_3i:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C4D3_aP52_2_5i_31i_7i_5i:Li-O-P-V, expected Li5V5P7O31 to be Li3V3(PO4)4" +mp-757811,Li3V3(PO4)4,-7.7994101379,-2.6540748988,0.0684382379,0.0684382379,GGA+U,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_5a_32a_8a_5a:Li-O-P-V, expected Li5V5(PO4)8 to be Li3V3(PO4)4" +mp-32528,Li3V3(PO4)4,-7.8564552742,-2.7111200351,0.0113931015,0.0113931015,GGA+U,P2_1,A3B16C4D3_mP52_4_3a_16a_4a_3a:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_4_4a_32a_7a_5a:Li-O-P-V, expected Li4V5P7O32 to be Li3V3(PO4)4" +mp-32495,Li3V3(PO4)4,-7.836480919,-2.6911456799,0.0313674567,0.0313674567,GGA+U,P2_1/c,A3B16C4D3_mP52_14_ae_8e_2e_de:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C4D3_mP52_14_ae_30e_3e_2d2e:Li-O-P-V, expected LiV2(PO10)2 to be Li3V3(PO4)4" +mp-26421,Li3V3(PO4)4,-7.8402970598,-2.6949618207,0.027551316,0.027551316,GGA+U,C2/c,A3B16C4D3_mC104_15_ef_8f_2f_cf:Li-O-P-V,52.0,"Invalid WP multiplicities - A3B16C4D3_mC104_15_ef_27f_3f_a2f:Li-O-P-V, expected Li3V5(PO9)6 to be Li3V3(PO4)4" +mp-758161,LiV2P5O16,-7.8817297604,-2.6196353054,0.065565736,0.0644197165,GGA+U,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Li-O-P-V,48.0,"Invalid WP multiplicities - AB16C5D2_mP48_7_a_32a_9a_3a:Li-O-P-V, expected LiV3P9O32 to be LiV2P5O16" +mp-25812,LiV2P5O16,-7.9472954965,-2.6852010415,0.0,-0.0011460195,GGA+U,Pc,AB16C5D2_mP48_7_a_16a_5a_2a:Li-O-P-V,48.0,"Invalid WP multiplicities - AB16C5D2_mP48_7_a_31a_8a_2a:Li-O-P-V, expected LiV2P8O31 to be LiV2P5O16" +mp-694966,Li3V2(PO4)3,-6.6774680553,-1.7027304155,1.0259652498,1.020065892,GGA+U,P2,A3B12C3D2_mP80_3_6e_24e_abcd4e_4e:Li-O-P-V,80.0,A3B12C3D2_mP80_3_6e_24e_abcd4e_4e:Li-O-P-V +mp-774346,Li3V2(PO4)3,-7.659153227,-2.6844155873,0.044280078,0.0383807203,GGA+U,C2,A3B12C3D2_mC80_5_ab2c_12c_ab2c_2c:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_5_ab3c_24c_ab2c_2c:Li-O-P-V, expected Li4V2(PO8)3 to be Li3V2(PO4)3" +mp-756924,Li3V2(PO4)3,-7.6478104358,-2.673072796,0.0556228693,0.0497235115,GGA+U,C2,A3B12C3D2_mC160_5_6c_24c_6c_2a2b2c:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mC160_5_11c_47c_11c_2a2b4c:Li-O-P-V, expected Li11V6P11O47 to be Li3V2(PO4)3" +mp-757678,Li3V2(PO4)3,-7.6107520931,-2.6360144534,0.0926812119,0.0867818541,GGA+U,C2,A3B12C3D2_mC160_5_ab5c_24c_6c_4c:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mC160_5_ab10c_48c_10c_6c:Li-O-P-V, expected Li11V6(P5O24)2 to be Li3V2(PO4)3" +mp-775921,Li3V2(PO4)3,-7.6733582677,-2.698620628,0.0300750373,0.0241756795,GGA+U,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_9_5a_23a_3a_2a:Li-O-P-V, expected Li5V2P3O23 to be Li3V2(PO4)3" +mp-705293,Li3V2(PO4)3,-7.6778848735,-2.7031472337,0.0255484315,0.0196490738,GGA+U,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_9_5a_23a_5a_2a:Li-O-P-V, expected Li5V2P5O23 to be Li3V2(PO4)3" +mp-32530,Li3V2(PO4)3,-7.6648970034,-2.6901593636000003,0.0385363016,0.0326369439,GGA+U,P2/c,A3B12C3D2_mP80_13_abefg_12g_ef2g_2g:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_13_2a2b2e2f3g_48g_2ef6g_5g:Li-O-P-V, expected Li14V10(P5O32)3 to be Li3V2(PO4)3" +mp-643154,Li3V2(PO4)3,-7.6963347825,-2.7215971428,0.0070985225,0.0011991648,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_46e_8e_3e:Li-O-P-V, expected Li9V3(P4O23)2 to be Li3V2(PO4)3" +mp-6396,Li3V2(PO4)3,-7.703433305,-2.7286956653,0.0,-0.0058993577,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V,80.0,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V +mp-757321,Li3V2(PO4)3,-7.7003882926,-2.7256506529,0.0030450124,-0.0028543454,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_43e_11e_3e:Li-O-P-V, expected Li9V3P11O43 to be Li3V2(PO4)3" +mp-1202865,Li3V2(PO4)3,-7.6785320915,-2.7037944518,0.0249012135,0.0190018558,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V,80.0,A3B12C3D2_mP80_14_3e_12e_3e_2e:Li-O-P-V +mp-26711,Li3V2(PO4)3,-7.668591116,-2.6938534763,0.034842189,0.0289428313,GGA+U,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2a3f_21f_2e3f_f:Li-O-P-V, expected Li4VP4O21 to be Li3V2(PO4)3" +mp-26903,Li3V2(PO4)3,-7.66101513,-2.6862774903,0.042418175,0.0365188173,GGA+U,C2/c,A3B12C3D2_mC80_15_a2e_6f_ef_f:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_2a2e_18f_2e2f_f:Li-O-P-V, expected Li2V(PO6)3 to be Li3V2(PO4)3" +mp-1177570,Li3V2(PO4)3,-7.6099540046,-2.6352163649,0.0934793004,0.0875799426,GGA+U,C2/c,A3B12C3D2_mC160_15_ce2f_12f_3f_2f:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mC160_15_2c2e8f_47f_9f_5f:Li-O-P-V, expected Li10V5P9O47 to be Li3V2(PO4)3" +mp-759065,Li3V2(PO4)3,-7.6991613505,-2.7244237108,0.0042719545,-0.0016274032,GGA+U,P2_12_12,A3B12C3D2_oP80_18_3c_12c_ab2c_2c:Li-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_oP80_18_4c_22c_2a2b2c_2c:Li-O-P-V, expected Li2VP2O11 to be Li3V2(PO4)3" +mp-831152,Li3V2(PO4)3,-7.6678136158,-2.6930759760000003,0.0356196893,0.0297203315,GGA+U,R-3,A3B12C3D2_hR120_148_f_4f_f_2c:Li-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_148_f_19f_f_3c:Li-O-P-V, expected LiVPO19 to be Li3V2(PO4)3" +mp-756749,Li3V2(PO4)3,-7.6568113436,-2.6820737039,0.0466219614,0.0407226036,GGA+U,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Li-O-P-V,80.0,A3B12C3D2_cI160_230_c_h_d_a:Li-O-P-V +mp-757972,Li2VP3O10,-7.5759670797,-2.6629329274,0.051739777,0.051739777,GGA+U,P2_1/c,A2B10C3D_mP64_14_2e_10e_3e_e:Li-O-P-V,64.0,"Invalid WP multiplicities - A2B10C3D_mP64_14_3e_35e_5e_e:Li-O-P-V, expected Li3V(PO7)5 to be Li2VP3O10" +mp-758361,Li2VP3O10,-7.5720457166,-2.6590115643,0.0556611401,0.0556611401,GGA+U,C2/c,A2B10C3D_mC64_15_f_5f_ef_e:Li-O-P-V,32.0,"Invalid WP multiplicities - A2B10C3D_mC64_15_f_17f_e2f_e:Li-O-P-V, expected Li2VP5O34 to be Li2VP3O10" +mp-753869,LiV2(PO4)2,-8.0790966435,-2.6578005119,0.0140240011,0.0140240011,GGA+U,P2_1,AB8C2D2_mP26_4_a_8a_2a_2a:Li-O-P-V,26.0,"Invalid WP multiplicities - AB8C2D2_mP26_4_a_16a_4a_4a:Li-O-P-V, expected LiV4(PO4)4 to be LiV2(PO4)2" +mp-753871,LiV2(PO4)2,-8.0491803612,-2.6278842296,0.0439402834,0.0439402834,GGA+U,Pmc2_1,AB8C2D2_oP26_26_a_2a2b2c_ab_c:Li-O-P-V,26.0,"Invalid WP multiplicities - AB8C2D2_oP26_26_a_4a4b4c_2a2b_c:Li-O-P-V, expected LiV2(PO4)4 to be LiV2(PO4)2" +mp-757498,Li8V3P8O29,-7.4789349533,-2.7021954987,0.0258480232,0.0156608716,GGA+U,P1,A8B29C8D3_aP96_1_16a_58a_16a_6a:Li-O-P-V,96.0,A8B29C8D3_aP96_1_16a_58a_16a_6a:Li-O-P-V +mp-1176826,Li8V3P8O29,-7.4933512568,-2.7166118021,0.0114317198,0.0012445682,GGA+U,P1,A8B29C8D3_aP96_1_16a_58a_16a_6a:Li-O-P-V,96.0,A8B29C8D3_aP96_1_16a_58a_16a_6a:Li-O-P-V +mp-757784,Li8V3P8O29,-7.4830311332,-2.7062916786,0.0217518433,0.0115646917,GGA+U,P-1,A8B29C8D3_aP96_2_ab7i_29i_8i_3i:Li-O-P-V,96.0,"Invalid WP multiplicities - A8B29C8D3_aP96_2_ab13i_57i_15i_3i:Li-O-P-V, expected Li14V3(P5O19)3 to be Li8V3P8O29" +mp-757891,Li8V3P8O29,-7.4857184486,-2.708978994,0.0190645279,0.0088773763,GGA+U,C2,A8B29C8D3_mC192_5_8c_ab28c_8c_ab2c:Li-O-P-V,96.0,"Invalid WP multiplicities - A8B29C8D3_mC192_5_15c_ab56c_16c_ab4c:Li-O-P-V, expected Li15V5P16O57 to be Li8V3P8O29" +mp-849522,Li8V3P8O29,-7.5047829766,-2.7280435219,0.0,-0.0101871516,GGA+U,Cc,A8B29C8D3_mC192_9_8a_29a_8a_3a:Li-O-P-V,96.0,"Invalid WP multiplicities - A8B29C8D3_mC192_9_14a_56a_14a_5a:Li-O-P-V, expected Li14V5(PO4)14 to be Li8V3P8O29" +mp-757283,Li8V3P8O29,-7.4921505939,-2.7154111392,0.0126323827,0.0024452311,GGA+U,Cc,A8B29C8D3_mC192_9_8a_29a_8a_3a:Li-O-P-V,96.0,"Invalid WP multiplicities - A8B29C8D3_mC192_9_12a_56a_14a_5a:Li-O-P-V, expected Li12V5(PO4)14 to be Li8V3P8O29" +mp-882371,Li8V3P8O29,-7.4834326678,-2.7066932132,0.0213503087,0.0111631571,GGA+U,Cc,A8B29C8D3_mC192_9_8a_29a_8a_3a:Li-O-P-V,96.0,"Invalid WP multiplicities - A8B29C8D3_mC192_9_14a_56a_14a_5a:Li-O-P-V, expected Li14V5(PO4)14 to be Li8V3P8O29" +mp-726294,Li2V2P2O11,-7.6472986503,-2.5163669614,0.0350607325,0.0350607325,GGA+U,P2_12_12,A2B11C2D2_oP34_18_c_a5c_c_c:Li-O-P-V,34.0,A2B11C2D2_oP34_18_c_a5c_c_c:Li-O-P-V +mp-1202181,Li2V2P2O11,-7.5753172847,-2.4443855959,0.1070420981,0.1070420981,GGA+U,P2_12_12,A2B11C2D2_oP34_18_c_a5c_c_c:Li-O-P-V,34.0,A2B11C2D2_oP34_18_c_a5c_c_c:Li-O-P-V +mp-705002,Li3V4P9O32,-7.809153658,-2.6200671122,0.0343862259,0.0343862259,GGA+U,P-42_1c,A3B32C9D4_tP96_114_ad_8e_b2e_e:Li-O-P-V,96.0,"Invalid WP multiplicities - A3B32C9D4_tP96_114_2a2d_58e_2b8e_e:Li-O-P-V, expected Li3V2P17O116 to be Li3V4P9O32" +mp-758290,LiV4(PO4)3,-8.2071576455,-2.5149216854,0.0819835583,0.0819835583,GGA+U,Cmc2_1,AB12C3D4_oC80_36_a_6a3b_3a_2ab:Li-O-P-V,40.0,"Invalid WP multiplicities - AB12C3D4_oC80_36_a_12a6b_6a_4a2b:Li-O-P-V, expected LiV8(PO4)6 to be LiV4(PO4)3" +mp-758267,LiV4(PO4)3,-8.2120595083,-2.5198235482,0.0770816956,0.0770816956,GGA+U,Pnnm,AB12C3D4_oP80_58_g_6g3h_3g_2gh:Li-O-P-V,80.0,"Invalid WP multiplicities - AB12C3D4_oP80_58_g_22g10h_10g_7g2h:Li-O-P-V, expected LiV11(P5O21)2 to be LiV4(PO4)3" +mp-757918,LiV4(PO4)3,-8.2049413216,-2.5127053615,0.0841998822,0.0841998822,GGA+U,Pnma,AB12C3D4_oP80_62_c_2c5d_cd_2d:Li-O-P-V,80.0,"Invalid WP multiplicities - AB12C3D4_oP80_62_c_6c19d_3c2d_5d:Li-O-P-V, expected LiV10P7O44 to be LiV4(PO4)3" +mp-758417,LiV4(PO4)3,-8.2371180195,-2.5448820594,0.0520231843,0.0520231843,GGA+U,I-42d,AB12C3D4_tI80_122_a_3e_bd_cd:Li-O-P-V,40.0,"Invalid WP multiplicities - AB12C3D4_tI80_122_a_13e_2b2d_2c3d:Li-O-P-V, expected LiV10(P3O26)2 to be LiV4(PO4)3" +mp-759162,Li2V3P5O18,-7.8939619409,-2.6376593238,0.0781158925,0.0781158925,GGA+U,C2/c,A2B18C5D3_mC112_15_f_9f_e2f_af:Li-O-P-V,56.0,"Invalid WP multiplicities - A2B18C5D3_mC112_15_f_31f_e3f_cf:Li-O-P-V, expected Li2V3P7O62 to be Li2V3P5O18" +mp-779534,Li9V6(P8O29)2,-7.5948687399,-2.5925706772,0.0452988397,0.0452988397,GGA+U,P1,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V,89.0,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V +mp-850768,Li9V6(P8O29)2,-7.5933551948,-2.5910571321,0.0468123847,0.0468123847,GGA+U,P1,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V,89.0,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V +mp-779467,Li9V6(P8O29)2,-7.5965176848,-2.5942196221,0.0436498947,0.0436498947,GGA+U,P1,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V,89.0,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V +mp-1176978,Li9V6(P8O29)2,-7.5968218439,-2.5945237812,0.0433457356,0.0433457356,GGA+U,P1,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V,89.0,A9B58C16D6_aP89_1_9a_58a_16a_6a:Li-O-P-V +mp-757708,Li7V3P8O29,-7.4993782943,-2.6616214654,0.0437186662,0.0437186662,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757679,Li7V3P8O29,-7.5189288452,-2.6811720164,0.0241681152,0.0241681152,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-850667,Li7V3P8O29,-7.5225532518,-2.684796423,0.0205437086,0.0205437086,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757654,Li7V3P8O29,-7.5240441817,-2.6862873528,0.0190527788,0.0190527788,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757710,Li7V3P8O29,-7.5270986806,-2.6893418518,0.0159982798,0.0159982798,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757432,Li7V3P8O29,-7.5131211452,-2.6753643164,0.0299758152,0.0299758152,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176845,Li7V3P8O29,-7.5158820635,-2.6781252347,0.0272148969,0.0272148969,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176850,Li7V3P8O29,-7.5229035247,-2.6851466958,0.0201934358,0.0201934358,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176852,Li7V3P8O29,-7.4552483112,-2.6174914823,0.0878486493,0.0878486493,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-850710,Li7V3P8O29,-7.4841461396,-2.6463893107,0.0589508209,0.0589508209,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757373,Li7V3P8O29,-7.5201213193,-2.6823644904,0.0229756412,0.0229756412,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757556,Li7V3P8O29,-7.5285339052,-2.6907770764,0.0145630552,0.0145630552,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176861,Li7V3P8O29,-7.5291508641,-2.6913940353,0.0139460963,0.0139460963,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176863,Li7V3P8O29,-7.52358286,-2.6858260311,0.0195141005,0.0195141005,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176864,Li7V3P8O29,-7.5301310544,-2.6923742255,0.0129659061,0.0129659061,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176865,Li7V3P8O29,-7.5167660066,-2.6790091777,0.0263309539,0.0263309539,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176866,Li7V3P8O29,-7.523441416,-2.6856845871,0.0196555445,0.0196555445,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176869,Li7V3P8O29,-7.524025167,-2.6862683382,0.0190717934,0.0190717934,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176870,Li7V3P8O29,-7.521662172,-2.6839053432,0.0214347884,0.0214347884,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176871,Li7V3P8O29,-7.5209281453,-2.6831713165,0.0221688151,0.0221688151,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176872,Li7V3P8O29,-7.5210719084,-2.6833150795,0.0220250521,0.0220250521,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176878,Li7V3P8O29,-7.5095419588,-2.67178513,0.0335550016,0.0335550016,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176881,Li7V3P8O29,-7.4641599126,-2.6264030837,0.0789370479,0.0789370479,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176941,Li7V3P8O29,-7.5243778127,-2.6866209838,0.0187191478,0.0187191478,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176972,Li7V3P8O29,-7.5296969717,-2.6919401428,0.0133999888,0.0133999888,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-760223,Li7V3P8O29,-7.5218936706,-2.6841368418,0.0212032898,0.0212032898,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1177038,Li7V3P8O29,-7.5209461705,-2.6831893417,0.0221507899,0.0221507899,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757637,Li7V3P8O29,-7.5314293045,-2.6936724756,0.011667656,0.011667656,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-757689,Li7V3P8O29,-7.5169702959,-2.6792134670000003,0.0261266646,0.0261266646,GGA+U,P1,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V,94.0,A7B29C8D3_aP94_1_14a_58a_16a_6a:Li-O-P-V +mp-1176873,Li7V3P8O29,-7.512047285299999,-2.6742904565,0.0310496751,0.0310496751,GGA+U,C2,A7B29C8D3_mC188_5_7c_ab28c_8c_ab2c:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_5_13c_ab54c_14c_ab3c:Li-O-P-V, expected Li13V4P14O55 to be Li7V3P8O29" +mp-757537,Li7V3P8O29,-7.5290324204,-2.6912755916,0.01406454,0.01406454,GGA+U,C2,A7B29C8D3_mC188_5_7c_ab28c_8c_ab2c:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_5_12c_ab56c_14c_ab3c:Li-O-P-V, expected Li12V4P14O57 to be Li7V3P8O29" +mp-757380,Li7V3P8O29,-7.5210607335,-2.6833039047,0.0220362269,0.0220362269,GGA+U,Cc,A7B29C8D3_mC188_9_7a_29a_8a_3a:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_9_12a_56a_14a_5a:Li-O-P-V, expected Li12V5(PO4)14 to be Li7V3P8O29" +mp-1176849,Li7V3P8O29,-7.5169940245,-2.6792371956,0.026102936,0.026102936,GGA+U,Cc,A7B29C8D3_mC188_9_7a_29a_8a_3a:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_9_11a_56a_14a_5a:Li-O-P-V, expected Li11V5(PO4)14 to be Li7V3P8O29" +mp-1176857,Li7V3P8O29,-7.5229849051,-2.6852280763,0.0201120554,0.0201120554,GGA+U,Cc,A7B29C8D3_mC188_9_7a_29a_8a_3a:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_9_9a_56a_14a_5a:Li-O-P-V, expected Li9V5(PO4)14 to be Li7V3P8O29" +mp-760789,Li7V3P8O29,-7.5220938026,-2.6843369737,0.0210031579,0.0210031579,GGA+U,C2/c,A7B29C8D3_mC188_15_a3f_e14f_4f_ef:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_15_c5f_2e53f_11f_ef:Li-O-P-V, expected Li11V3(P11O54)2 to be Li7V3P8O29" +mp-761127,Li7V3P8O29,-7.5134785429,-2.675721714,0.0296184176,0.0296184176,GGA+U,C2/c,A7B29C8D3_mC188_15_a3f_e14f_4f_ef:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_15_c9f_2e53f_11f_ef:Li-O-P-V, expected Li19V3(P11O54)2 to be Li7V3P8O29" +mp-1176897,Li7V3P8O29,-7.5220548754,-2.6842980466,0.021042085,0.021042085,GGA+U,C2/c,A7B29C8D3_mC188_15_a3f_e14f_4f_ef:Li-O-P-V,94.0,"Invalid WP multiplicities - A7B29C8D3_mC188_15_c9f_2e51f_9f_ef:Li-O-P-V, expected Li19V3(P9O52)2 to be Li7V3P8O29" +mp-1013850,LiV2P2O9,-8.0588620261,-2.6714664246,0.0106995098,0.0106995098,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Li-O-P-V, expected LiV2P2O11 to be LiV2P2O9" +mp-758424,Li5V(PO4)3,-7.109482576,-2.6224019827,0.0927378635,0.0927378635,GGA+U,P1,A5B12C3D_aP42_1_10a_24a_6a_2a:Li-O-P-V,42.0,A5B12C3D_aP42_1_10a_24a_6a_2a:Li-O-P-V +mp-850007,Li7V16(PO4)24,-7.9683140978,-2.6291089675,0.0175275244,0.0175275244,GGA+U,P1,A7B96C24D16_aP143_1_7a_96a_24a_16a:Li-O-P-V,143.0,A7B96C24D16_aP143_1_7a_96a_24a_16a:Li-O-P-V +mp-758541,Li2V2P2O9,-7.7755839493,-2.6200865301,0.0871219578,0.0871219578,GGA+U,Pnma,A2B9C2D2_oP60_62_2c_5c2d_2c_ac:Li-O-P-V,60.0,"Invalid WP multiplicities - A2B9C2D2_oP60_62_5c_19c6d_5c_2a2c:Li-O-P-V, expected Li5V4P5O31 to be Li2V2P2O9" +mp-856878,Li11V8(PO4)12,-5.8922394529,-0.8786940312,1.8432095539,1.8432095539,GGA+U,P1,A11B48C12D8_aP79_1_11a_48a_12a_8a:Li-O-P-V,79.0,A11B48C12D8_aP79_1_11a_48a_12a_8a:Li-O-P-V +mp-849384,Li11V8(PO4)12,-7.7290060919,-2.7154606702,0.0064429149,0.0064429149,GGA+U,P1,A11B48C12D8_aP79_1_11a_48a_12a_8a:Li-O-P-V,79.0,A11B48C12D8_aP79_1_11a_48a_12a_8a:Li-O-P-V +mp-757557,Li5VP3O11,-7.1258778773,-2.6617776899,0.0538691491,0.0538691491,GGA+U,P-1,A5B11C3D_aP40_2_5i_11i_3i_bd:Li-O-P-V,40.0,"Invalid WP multiplicities - A5B11C3D_aP40_2_9i_21i_5i_bd:Li-O-P-V, expected Li9VP5O21 to be Li5VP3O11" +mp-1176893,Li7V4(PO4)6,-7.5523551393,-2.6523934696,0.0642246933,0.0642246933,GGA+U,P1,A7B24C6D4_aP41_1_7a_24a_6a_4a:Li-O-P-V,41.0,"Invalid WP multiplicities - A7B24C6D4_hR123_146_a4b_24b_4b_4a:Li-O-P-V, expected Li13V4(PO6)12 to be Li7V4(PO4)6" +mp-760371,Li7V4(PO4)6,-7.600147383699999,-2.700185714,0.0164324489,0.0164324489,GGA+U,R3,A7B24C6D4_hR123_146_a2b_8b_2b_4a:Li-O-P-V,41.0,"Invalid WP multiplicities - A7B24C6D4_hR123_146_a3b_18b_2b_4a:Li-O-P-V, expected Li5V2(PO9)3 to be Li7V4(PO4)6" +mp-759733,Li3V3P8O29,-7.6290769008,-2.5188704011,0.0538886694,0.0538886694,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757491,Li3V3P8O29,-7.6294803036,-2.5192738038,0.0534852667,0.0534852667,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765008,Li3V3P8O29,-7.6299848247,-2.5197783249,0.0529807456,0.0529807456,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-861112,Li3V3P8O29,-7.6310917693,-2.5208852695,0.051873801,0.051873801,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-758165,Li3V3P8O29,-7.629277231,-2.5190707313000003,0.0536883392,0.0536883392,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757550,Li3V3P8O29,-7.6377293207,-2.5275228209,0.0452362496,0.0452362496,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757522,Li3V3P8O29,-7.6377581059,-2.5275516062,0.0452074643,0.0452074643,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757904,Li3V3P8O29,-7.6380829686,-2.5278764688,0.0448826017,0.0448826017,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757633,Li3V3P8O29,-7.6353985421,-2.5251920423,0.0475670282,0.0475670282,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-758030,Li3V3P8O29,-7.6340418945,-2.5238353948,0.0489236757,0.0489236757,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757622,Li3V3P8O29,-7.6361109915,-2.5259044918,0.0468545787,0.0468545787,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-757589,Li3V3P8O29,-7.6354410267,-2.5252345270000003,0.0475245435,0.0475245435,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863375,Li3V3P8O29,-7.6353615022,-2.5251550025,0.0476040681,0.0476040681,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863361,Li3V3P8O29,-7.6337821167,-2.523575617,0.0491834535,0.0491834535,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863371,Li3V3P8O29,-7.6312771617,-2.521070662,0.0516884085,0.0516884085,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863379,Li3V3P8O29,-7.6370040615,-2.5267975618,0.0459615087,0.0459615087,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863398,Li3V3P8O29,-7.6348825114,-2.5246760116,0.0480830589,0.0480830589,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863396,Li3V3P8O29,-7.6360458202,-2.5258393205000003,0.04691975,0.04691975,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863385,Li3V3P8O29,-7.636299368099999,-2.5260928684,0.0466662021,0.0466662021,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863397,Li3V3P8O29,-7.6332757523,-2.5230692526,0.0496898179,0.0496898179,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863393,Li3V3P8O29,-7.638867797,-2.5286612972,0.0440977733,0.0440977733,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-863388,Li3V3P8O29,-7.6403143307,-2.5301078309,0.0426512396,0.0426512396,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759418,Li3V3P8O29,-7.6336589694,-2.5234524697,0.0493066008,0.0493066008,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759404,Li3V3P8O29,-7.6330307014,-2.5228242016,0.0499348689,0.0499348689,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759003,Li3V3P8O29,-7.6301938523,-2.5199873526000003,0.0527717179,0.0527717179,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-758776,Li3V3P8O29,-7.6260145885,-2.5158080887,0.0569509818,0.0569509818,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759567,Li3V3P8O29,-7.627935661,-2.5177291613,0.0550299092,0.0550299092,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760955,Li3V3P8O29,-7.6349483276,-2.5247418278,0.0480172427,0.0480172427,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759935,Li3V3P8O29,-7.6313564236,-2.5211499238,0.0516091467,0.0516091467,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760969,Li3V3P8O29,-7.6364003874,-2.5261938877,0.0465651828,0.0465651828,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760968,Li3V3P8O29,-7.6291922755,-2.5189857757,0.0537732948,0.0537732948,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760964,Li3V3P8O29,-7.6342371671,-2.5240306673,0.0487284032,0.0487284032,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-764068,Li3V3P8O29,-7.6356980164,-2.5254915166,0.0472675539,0.0472675539,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760974,Li3V3P8O29,-7.6320339901,-2.5218274904,0.0509315801,0.0509315801,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760973,Li3V3P8O29,-7.6318171419,-2.5216106421,0.0511484284,0.0511484284,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760079,Li3V3P8O29,-7.6323202128,-2.522113713,0.0506453575,0.0506453575,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760081,Li3V3P8O29,-7.6337494774,-2.5235429777,0.0492160928,0.0492160928,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760981,Li3V3P8O29,-7.6316599588,-2.5214534591,0.0513056114,0.0513056114,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-760123,Li3V3P8O29,-7.6345781608,-2.5243716611,0.0483874094,0.0483874094,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761000,Li3V3P8O29,-7.6316626826,-2.5214561828,0.0513028877,0.0513028877,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761002,Li3V3P8O29,-7.6296244923,-2.5194179926,0.0533410779,0.0533410779,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761001,Li3V3P8O29,-7.6331693936,-2.5229628938,0.0497961767,0.0497961767,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761007,Li3V3P8O29,-7.637952547,-2.5277460472,0.0450130233,0.0450130233,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761008,Li3V3P8O29,-7.6369896986,-2.5267831988,0.0459758717,0.0459758717,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759644,Li3V3P8O29,-7.6320196151,-2.5218131154,0.0509459551,0.0509459551,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761040,Li3V3P8O29,-7.6372306886,-2.5270241888,0.0457348817,0.0457348817,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-780765,Li3V3P8O29,-7.634405483,-2.5241989833,0.0485600872,0.0485600872,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-761023,Li3V3P8O29,-7.6360283579,-2.5258218581,0.0469372124,0.0469372124,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765010,Li3V3P8O29,-7.6320660673,-2.5218595676,0.0508995029,0.0508995029,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765009,Li3V3P8O29,-7.6272526494,-2.5170461497,0.0557129208,0.0557129208,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-831250,Li3V3P8O29,-7.6297334543,-2.5195269545,0.053232116,0.053232116,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-831254,Li3V3P8O29,-7.6313420648,-2.521135565,0.0516235055,0.0516235055,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765337,Li3V3P8O29,-7.6330765897,-2.5228700899,0.0498889806,0.0498889806,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765407,Li3V3P8O29,-7.6336047366,-2.5233982369,0.0493608336,0.0493608336,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765405,Li3V3P8O29,-7.6296147063,-2.5194082065,0.053350864,0.053350864,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-765483,Li3V3P8O29,-7.6347597491,-2.5245532493,0.0482058212,0.0482058212,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-849573,Li3V3P8O29,-7.6334674666,-2.5232609669,0.0494981036,0.0494981036,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-849499,Li3V3P8O29,-7.6298142294,-2.5196077297,0.0531513408,0.0531513408,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-764991,Li3V3P8O29,-7.62947767,-2.5192711702,0.0534879003,0.0534879003,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-764993,Li3V3P8O29,-7.6296597549,-2.5194532551,0.0533058154,0.0533058154,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-764994,Li3V3P8O29,-7.6333733555,-2.5231668557,0.0495922148,0.0495922148,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177499,Li3V3P8O29,-7.637053768,-2.5268472683,0.0459118022,0.0459118022,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177526,Li3V3P8O29,-7.6319845183,-2.5217780185,0.050981052,0.050981052,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177532,Li3V3P8O29,-7.6334951423,-2.5232886426,0.0494704279,0.0494704279,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177540,Li3V3P8O29,-7.6328272845,-2.5226207848,0.0501382857,0.0501382857,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177598,Li3V3P8O29,-7.6342767988,-2.5240702991,0.0486887714,0.0486887714,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177634,Li3V3P8O29,-7.6396168365,-2.5294103368,0.0433487337,0.0433487337,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-1177676,Li3V3P8O29,-7.6319121297,-2.5217056299,0.0510534406,0.0510534406,GGA+U,P1,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V,86.0,A3B29C8D3_aP86_1_6a_58a_16a_6a:Li-O-P-V +mp-759453,Li3V3P8O29,-7.6281436328,-2.517937133,0.0548219375,0.0548219375,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_5c_ab54c_14c_ab2c:Li-O-P-V, expected Li5V3P14O55 to be Li3V3P8O29" +mp-831255,Li3V3P8O29,-7.6377876531,-2.5275811534,0.0451779171,0.0451779171,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_4c_ab54c_14c_ab3c:Li-O-P-V, expected Li4V4P14O55 to be Li3V3P8O29" +mp-765352,Li3V3P8O29,-7.6221472863,-2.5119407865,0.060818284,0.060818284,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_5c_ab56c_14c_ab3c:Li-O-P-V, expected Li5V4P14O57 to be Li3V3P8O29" +mp-863366,Li3V3P8O29,-7.6232852721,-2.5130787723,0.0596802982,0.0596802982,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_4c_ab54c_14c_ab3c:Li-O-P-V, expected Li4V4P14O55 to be Li3V3P8O29" +mp-765415,Li3V3P8O29,-7.6285006887,-2.518294189,0.0544648815,0.0544648815,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_6c_ab54c_14c_ab3c:Li-O-P-V, expected Li6V4P14O55 to be Li3V3P8O29" +mp-1177489,Li3V3P8O29,-7.6393137231,-2.5291072234,0.0436518471,0.0436518471,GGA+U,C2,A3B29C8D3_mC172_5_3c_ab28c_8c_ab2c:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_5_5c_ab56c_16c_ab4c:Li-O-P-V, expected Li5V5P16O57 to be Li3V3P8O29" +mp-760301,Li3V3P8O29,-7.6236480628,-2.513441563,0.0593175075,0.0593175075,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_6a_56a_12a_5a:Li-O-P-V, expected Li6V5(P3O14)4 to be Li3V3P8O29" +mp-765488,Li3V3P8O29,-7.6387574071,-2.5285509073,0.0442081632,0.0442081632,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_14a_5a:Li-O-P-V, expected Li3V5(PO4)14 to be Li3V3P8O29" +mp-863360,Li3V3P8O29,-7.6399730817,-2.529766582,0.0429924885,0.0429924885,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_12a_5a:Li-O-P-V, expected Li3V5(P3O14)4 to be Li3V3P8O29" +mp-863394,Li3V3P8O29,-7.641613117,-2.5314066172,0.0413524533,0.0413524533,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_5a_56a_12a_5a:Li-O-P-V, expected Li5V5(P3O14)4 to be Li3V3P8O29" +mp-780579,Li3V3P8O29,-7.6372685058,-2.5270620061,0.0456970644,0.0456970644,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_14a_5a:Li-O-P-V, expected Li3V5(PO4)14 to be Li3V3P8O29" +mp-759039,Li3V3P8O29,-7.6260416879,-2.5158351881,0.0569238824,0.0569238824,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_5a_56a_12a_5a:Li-O-P-V, expected Li5V5(P3O14)4 to be Li3V3P8O29" +mp-760101,Li3V3P8O29,-7.6244487149,-2.5142422151,0.0585168554,0.0585168554,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_5a_56a_14a_5a:Li-O-P-V, expected Li5V5(PO4)14 to be Li3V3P8O29" +mp-849998,Li3V3P8O29,-7.6302468524,-2.5200403527,0.0527187178,0.0527187178,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_5a_56a_14a_4a:Li-O-P-V, expected Li5V4(PO4)14 to be Li3V3P8O29" +mp-1177508,Li3V3P8O29,-7.630217936,-2.5200114363,0.0527476342,0.0527476342,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_12a_5a:Li-O-P-V, expected Li3V5(P3O14)4 to be Li3V3P8O29" +mp-1177582,Li3V3P8O29,-7.6439711515,-2.5337646518,0.0389944187,0.0389944187,GGA+U,Cc,A3B29C8D3_mC172_9_3a_29a_8a_3a:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_9_3a_56a_14a_5a:Li-O-P-V, expected Li3V5(PO4)14 to be Li3V3P8O29" +mp-705314,Li3V3P8O29,-7.6344741124,-2.5242676127,0.0484914578,0.0484914578,GGA+U,C2/c,A3B29C8D3_mC172_15_af_e14f_4f_ef:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_15_2c2f_2e54f_12f_e2f:Li-O-P-V, expected Li6V5(P12O55)2 to be Li3V3P8O29" +mp-761011,Li3V3P8O29,-7.634606064,-2.5243995642,0.0483595063,0.0483595063,GGA+U,C2/c,A3B29C8D3_mC172_15_af_e14f_4f_ef:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_15_cf_2e51f_9f_ef:Li-O-P-V, expected Li3V3(P9O52)2 to be Li3V3P8O29" +mp-757329,Li3V3P8O29,-7.6373099533,-2.5271034535,0.045655617,0.045655617,GGA+U,C2/c,A3B29C8D3_mC172_15_af_e14f_4f_ef:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_mC172_15_cf_2e53f_13f_e2f:Li-O-P-V, expected Li3V5(P13O54)2 to be Li3V3P8O29" +mp-761029,Li3V3P8O29,-7.6357431638,-2.5255366641,0.0472224064,0.0472224064,GGA+U,P3c1,A3B29C8D3_hP86_158_d_ab9d_ab2d_d:Li-O-P-V,86.0,"Invalid WP multiplicities - A3B29C8D3_hP86_158_d_ab54d_ab8d_d:Li-O-P-V, expected Li3V3(P13O82)2 to be Li3V3P8O29" +mp-758425,Li3V(PO4)2,-7.3136958804,-2.6557823537000003,0.0801813234,0.0801813234,GGA+U,P1,A3B8C2D_aP56_1_12a_32a_8a_4a:Li-O-P-V,56.0,A3B8C2D_aP56_1_12a_32a_8a_4a:Li-O-P-V +mp-757278,Li3V(PO4)2,-7.349626929,-2.6917134024,0.0442502747,0.0442502747,GGA+U,P-1,A3B8C2D_aP42_2_a4i_12i_3i_di:Li-O-P-V,42.0,"Invalid WP multiplicities - A3B8C2D_aP42_2_a7i_23i_5i_di:Li-O-P-V, expected Li15V3(P5O23)2 to be Li3V(PO4)2" +mp-757268,Li3V(PO4)2,-7.3199551616,-2.6620416349,0.0739220421,0.0739220421,GGA+U,P2_1/m,A3B8C2D_mP28_11_3e_4e2f_2e_e:Li-O-P-V,56.0,A3B8C2D_mP28_11_3e_4e2f_2e_e:Li-O-P-V +mp-26399,Li3V(PO4)2,-7.3674041807,-2.709490654,0.026473023,0.026473023,GGA+U,C2/m,A3B8C2D_mC28_12_ai_2ij_i_c:Li-O-P-V,14.0,"Invalid WP multiplicities - A3B8C2D_mC28_12_a2i_4ij_i_d:Li-O-P-V, expected Li5V(PO6)2 to be Li3V(PO4)2" +mp-26539,Li3V(PO4)2,-7.3639764889,-2.7060629623,0.0299007148,0.0299007148,GGA+U,P2_1/c,A3B8C2D_mP28_14_ae_4e_e_d:Li-O-P-V,28.0,"Invalid WP multiplicities - A3B8C2D_mP28_14_2a3e_15e_e_d:Li-O-P-V, expected Li8V(PO15)2 to be Li3V(PO4)2" +mp-26619,Li3V(PO4)2,-7.363394877,-2.7054813503,0.0304823268,0.0304823268,GGA+U,P2_1/c,A3B8C2D_mP56_14_3e_8e_2e_e:Li-O-P-V,56.0,"Invalid WP multiplicities - A3B8C2D_mP56_14_10e_30e_6e_e:Li-O-P-V, expected Li10V(PO5)6 to be Li3V(PO4)2" +mp-1177531,Li3V(PO4)2,-7.3337702766,-2.6758567499,0.0601069271,0.0601069271,GGA+U,P2_1/c,A3B8C2D_mP112_14_6e_16e_4e_2e:Li-O-P-V,112.0,"Invalid WP multiplicities - A3B8C2D_mP112_14_21e_61e_13e_5e:Li-O-P-V, expected Li21V5P13O61 to be Li3V(PO4)2" +mp-757334,Li3V(PO4)2,-7.3654462061,-2.7075326794,0.0284309977,0.0284309977,GGA+U,C2/c,A3B8C2D_mC56_15_ef_4f_f_a:Li-O-P-V,28.0,"Invalid WP multiplicities - A3B8C2D_mC56_15_ef_11f_f_c:Li-O-P-V, expected Li3V(PO11)2 to be Li3V(PO4)2" +mp-772643,Li3V(PO4)2,-7.322707274,-2.6647937474,0.0711699297,0.0711699297,GGA+U,Pca2_1,A3B8C2D_oP112_29_6a_16a_4a_2a:Li-O-P-V,112.0,"Invalid WP multiplicities - A3B8C2D_oP112_29_11a_31a_7a_3a:Li-O-P-V, expected Li11V3P7O31 to be Li3V(PO4)2" +mp-752869,Li2VP2O7,-7.5092973406,-2.6463658577,0.0435925611,0.0435925611,GGA+U,P1,A2B7C2D_aP48_1_8a_28a_8a_4a:Li-O-P-V,48.0,A2B7C2D_aP48_1_8a_28a_8a_4a:Li-O-P-V +mp-752788,Li2VP2O7,-7.508269345,-2.645337862,0.0446205567,0.0446205567,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V,48.0,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V +mp-26731,Li2VP2O7,-7.5164142158,-2.6534827329,0.0364756858,0.0364756858,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_13i_3i_i:Li-O-P-V, expected Li3VP3O13 to be Li2VP2O7" +mp-1340913,Li2VP2O7,-5.2178681375,-0.3549366545,2.3350217642,2.3350217642,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V,24.0,"Invalid WP multiplicities - A2B7C2D_aP24_2_3i_13i_3i_i:Li-O-P-V, expected Li3VP3O13 to be Li2VP2O7" +mp-1573955,Li2VP2O7,-7.5083586925,-2.6454272095,0.0445312092,0.0445312092,GGA+U,P-1,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V,48.0,A2B7C2D_aP24_2_2i_7i_2i_i:Li-O-P-V +mp-754669,Li2VP2O7,-7.5362058327,-2.6732743498,0.016684069,0.016684069,GGA+U,P2_1,A2B7C2D_mP24_4_2a_7a_2a_a:Li-O-P-V,48.0,A2B7C2D_mP24_4_2a_7a_2a_a:Li-O-P-V +mp-757226,Li2VP2O7,-7.4981672017,-2.6352357187,0.0547227,0.0547227,GGA+U,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:Li-O-P-V,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_5e_25e_5e_e:Li-O-P-V, expected Li5V(PO5)5 to be Li2VP2O7" +mp-761070,Li2VP2O7,-7.515549583,-2.6526181001,0.0373403187,0.0373403187,GGA+U,P2_1/c,A2B7C2D_mP96_14_4e_14e_4e_2e:Li-O-P-V,96.0,"Invalid WP multiplicities - A2B7C2D_mP96_14_13e_53e_13e_5e:Li-O-P-V, expected Li13V5P13O53 to be Li2VP2O7" +mp-772145,Li2VP2O7,-7.4927512417,-2.6298197587,0.06013866,0.06013866,GGA+U,C2/c,A2B7C2D_mC48_15_f_e3f_f_a:Li-O-P-V,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_15_f_2e9f_f_c:Li-O-P-V, expected Li2V(PO10)2 to be Li2VP2O7" +mp-752820,Li2VP2O7,-7.5112632725,-2.6483317895000003,0.0416266292,0.0416266292,GGA+U,C2/c,A2B7C2D_mC48_15_f_e3f_f_c:Li-O-P-V,24.0,"Invalid WP multiplicities - A2B7C2D_mC48_15_f_2e11f_f_c:Li-O-P-V, expected Li2V(PO12)2 to be Li2VP2O7" +mp-767710,Li2VP2O7,-7.462272435,-2.599340952,0.0906174667,0.0906174667,GGA+U,C2/c,A2B7C2D_mC96_15_2ef_7f_2f_f:Li-O-P-V,48.0,"Invalid WP multiplicities - A2B7C2D_mC96_15_3e2f_13f_3f_f:Li-O-P-V, expected Li7V2(P3O13)2 to be Li2VP2O7" +mp-758419,Li5V(P2O7)2,-7.2341338783,-2.6701600289,0.0629308395,0.0629308395,GGA+U,P-1,A5B14C4D_aP48_2_5i_14i_4i_i:Li-O-P-V,48.0,"Invalid WP multiplicities - A5B14C4D_aP48_2_9i_27i_7i_i:Li-O-P-V, expected Li9VP7O27 to be Li5V(P2O7)2" +mp-764967,Li6V5(P2O7)4,-7.6992751521,-2.6208332049000003,0.0540277139,0.0540277139,GGA+U,P-1,A6B28C8D5_aP94_2_ab5i_28i_8i_5i:Li-O-P-V,94.0,"Invalid WP multiplicities - A6B28C8D5_aP94_2_ab10i_54i_14i_8i:Li-O-P-V, expected Li11V8(P7O27)2 to be Li6V5(P2O7)4" +mp-766125,Li3V4(PO4)6,-7.8897907981,-2.6664735822,0.0114058168,0.0114058168,GGA+U,P1,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-V,37.0,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-V +mp-766372,Li3V4(PO4)6,-7.8853018524,-2.6619846365,0.0158947624,0.0158947624,GGA+U,P1,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-V,37.0,A3B24C6D4_aP37_1_3a_24a_6a_4a:Li-O-P-V +mp-766682,Li3V4(PO4)6,-7.8884154953,-2.6650982793,0.0127811196,0.0127811196,GGA+U,P1,A3B24C6D4_aP74_1_6a_48a_12a_8a:Li-O-P-V,74.0,A3B24C6D4_aP74_1_6a_48a_12a_8a:Li-O-P-V +mp-766085,Li3V4(PO4)6,-7.8410485054,-2.6177312895,0.0601481095,0.0601481095,GGA+U,P-1,A3B24C6D4_aP37_2_ai_12i_3i_2i:Li-O-P-V,37.0,"Invalid WP multiplicities - A3B24C6D4_aP37_2_a2i_23i_5i_3i:Li-O-P-V, expected Li5V6(P5O23)2 to be Li3V4(PO4)6" +mp-777185,Li4V2(PO4)3,-7.513170324,-2.684423864,0.0206919157,0.0206919157,GGA+U,P-1,A4B12C3D2_aP42_2_4i_12i_3i_2i:Li-O-P-V,42.0,"Invalid WP multiplicities - A4B12C3D2_aP42_2_7i_23i_5i_2i:Li-O-P-V, expected Li7V2P5O23 to be Li4V2(PO4)3" +mp-761150,Li4V2(PO4)3,-7.471375176,-2.6426287159,0.0624870638,0.0624870638,GGA+U,C2/c,A4B12C3D2_mC84_15_2f_6f_ef_f:Li-O-P-V,42.0,"Invalid WP multiplicities - A4B12C3D2_mC84_15_3f_19f_e2f_f:Li-O-P-V, expected Li6V2P5O38 to be Li4V2(PO4)3" +mp-760234,Li4V2(PO4)3,-7.5032838229,-2.6745373628,0.0305784169,0.0305784169,GGA+U,Pbcn,A4B12C3D2_oP84_60_2d_6d_cd_d:Li-O-P-V,84.0,"Invalid WP multiplicities - A4B12C3D2_oP84_60_5d_21d_2c2d_d:Li-O-P-V, expected Li5V(PO7)3 to be Li4V2(PO4)3" +mp-770403,Li4V2(PO4)3,-7.4575533548,-2.6288068947000003,0.076308885,0.076308885,GGA+U,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Li-O-P-V,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_167_2b3e_11f_e_c:Li-O-P-V, expected Li11V2(PO22)3 to be Li4V2(PO4)3" +mp-26297,LiV(PO3)3,-7.7653153171,-2.6401056844,0.0168217807,0.0168217807,GGA+U,P-1,AB9C3D_aP56_2_2i_18i_6i_2i:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_aP56_2_3i_35i_11i_3i:Li-O-P-V, expected Li3V3P11O35 to be LiV(PO3)3" +mp-753147,LiV(PO3)3,-7.7396512071,-2.6144415744,0.0424858907,0.0424858907,GGA+U,P-1,AB9C3D_aP28_2_i_9i_3i_i:Li-O-P-V,28.0,"Invalid WP multiplicities - AB9C3D_aP28_2_i_17i_5i_i:Li-O-P-V, expected LiVP5O17 to be LiV(PO3)3" +mp-758307,LiV(PO3)3,-7.7635446637,-2.638335031,0.018592434,0.018592434,GGA+U,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-V, expected LiV(P3O11)3 to be LiV(PO3)3" +mp-758377,LiV(PO3)3,-7.6978497775,-2.5726401448000003,0.0842873203,0.0842873203,GGA+U,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-V, expected LiV(P3O11)3 to be LiV(PO3)3" +mp-26225,LiV(PO3)3,-7.7664976095,-2.6412879768,0.0156394883,0.0156394883,GGA+U,P2_12_12_1,AB9C3D_oP56_19_a_9a_3a_a:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_oP56_19_a_33a_9a_a:Li-O-P-V, expected LiV(P3O11)3 to be LiV(PO3)3" +mp-757931,LiV(PO3)3,-7.7401965921,-2.6149869594,0.0419405057,0.0419405057,GGA+U,Pbcm,AB9C3D_oP56_57_d_d4e_ce_a:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_oP56_57_d_2d7e_2ce_a:Li-O-P-V, expected LiV(PO4)4 to be LiV(PO3)3" +mp-758613,LiV(PO3)3,-7.7135530689,-2.5883434362,0.0685840289,0.0685840289,GGA+U,Pnma,AB9C3D_oP56_62_c_3c3d_cd_c:Li-O-P-V,56.0,"Invalid WP multiplicities - AB9C3D_oP56_62_c_10c11d_2c3d_c:Li-O-P-V, expected LiV(PO4)8 to be LiV(PO3)3" +mp-763497,LiV(PO3)3,-7.7296521571,-2.6044425244,0.0524849407,0.0524849407,GGA+U,R3,AB9C3D_hR42_146_a_3b_b_a:Li-O-P-V,56.0,AB9C3D_hR42_146_a_3b_b_a:Li-O-P-V +mp-758451,LiV(PO3)3,-7.7205192979,-2.5953096651000003,0.0616177999,0.0616177999,GGA+U,P-6c2,AB9C3D_hP28_188_a_kl_k_c:Li-O-P-V,28.0,AB9C3D_hP28_188_a_kl_k_c:Li-O-P-V +mp-765082,Li2V4P4O15,-8.00095056,-2.5606701317,0.0722259568,0.0722259568,GGA+U,C2/c,A2B15C4D4_mC200_15_2f_15f_4f_c3e2f:Li-O-P-V,100.0,"Invalid WP multiplicities - A2B15C4D4_mC200_15_5f_59f_15f_2a6e7f:Li-O-P-V, expected Li5V11P15O59 to be Li2V4P4O15" +mp-705367,LiV4P7O24,-8.0728564854,-2.6601288809,0.0306400494,0.0306400494,GGA+U,P-1,AB24C7D4_aP72_2_i_24i_7i_4i:Li-O-P-V,72.0,"Invalid WP multiplicities - AB24C7D4_aP72_2_i_47i_12i_5i:Li-O-P-V, expected LiV5P12O47 to be LiV4P7O24" +mp-1101513,LiV4P7O24,-8.0882729563,-2.6755453517000003,0.0152235786,0.0152235786,GGA+U,P-1,AB24C7D4_aP72_2_i_24i_7i_4i:Li-O-P-V,72.0,"Invalid WP multiplicities - AB24C7D4_aP72_2_i_47i_13i_7i:Li-O-P-V, expected LiV7P13O47 to be LiV4P7O24" +mp-705056,LiVP2O7,-7.8186426709,-2.6871649501,0.032393132,0.0197818926,GGA+U,P1,AB7C2D_aP44_1_4a_28a_8a_4a:Li-O-P-V,44.0,AB7C2D_aP44_1_4a_28a_8a_4a:Li-O-P-V +mp-26727,LiVP2O7,-7.822836025,-2.6913583042,0.028199778,0.0155885385,GGA+U,P1,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-V,22.0,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-V +mp-1639470,LiVP2O7,-7.8107779814,-2.6793002606,0.0402578216,0.0276465821,GGA+U,P1,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-V,22.0,AB7C2D_aP22_1_2a_14a_4a_2a:Li-O-P-V +mp-849733,LiVP2O7,-7.7827418361,-2.6512641153,0.0682939668,0.0556827273,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-V,44.0,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-V +mp-798790,LiVP2O7,-5.8005919918,-0.6691142710000001,2.0504438111,2.0378325717,GGA+U,P-1,AB7C2D_aP22_2_ac_7i_2i_i:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_ac_13i_3i_i:Li-O-P-V, expected LiVP3O13 to be LiVP2O7" +mp-757919,LiVP2O7,-7.7855666191,-2.6540888983,0.0654691839,0.0528579444,GGA+U,P-1,AB7C2D_aP22_2_ab_7i_2i_i:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_ab_13i_3i_i:Li-O-P-V, expected LiVP3O13 to be LiVP2O7" +mp-26681,LiVP2O7,-7.8399956573,-2.7085179365,0.0110401457,-0.0015710938,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_13i_3i_i:Li-O-P-V, expected LiVP3O13 to be LiVP2O7" +mp-1641256,LiVP2O7,-7.827432707,-2.6959549863000003,0.0236030959,0.0109918564,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_aP22_2_i_9i_2i_i:Li-O-P-V, expected LiVP2O9 to be LiVP2O7" +mp-18911,LiVP2O7,-7.8184958032,-2.6870180824,0.0325399998,0.0199287603,GGA+U,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_11a_2a_a:Li-O-P-V, expected LiVP2O11 to be LiVP2O7" +mp-758065,LiVP2O7,-7.7807079518,-2.649230231,0.0703278511,0.0577166117,GGA+U,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7C2D_mP22_4_a_13a_3a_a:Li-O-P-V, expected LiVP3O13 to be LiVP2O7" +mp-26251,LiVP2O7,-7.844005525,-2.7125278042,0.007030278,-0.0055809615,GGA+U,C2,AB7C2D_mC22_5_a_b3c_c_a:Li-O-P-V,44.0,AB7C2D_mC22_5_a_b3c_c_a:Li-O-P-V +mp-764928,LiVP2O7,-7.8130481859,-2.6815704651,0.037987617,0.0253763776,GGA+U,Cc,AB7C2D_mC44_9_a_7a_2a_a:Li-O-P-V,44.0,AB7C2D_mC44_9_a_7a_2a_a:Li-O-P-V +mp-758130,LiVP2O7,-7.8155278545,-2.6840501338,0.0355079484,0.0228967089,GGA+U,P2_1/m,AB7C2D_mP44_11_f_6e4f_4e_f:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_11_f_11e8f_7e_f:Li-O-P-V, expected Li2V2P7O27 to be LiVP2O7" +mp-1567478,LiVP2O7,-7.8221535123,-2.6906757915,0.0288822907,0.0162710512,GGA+U,C2/m,AB7C2D_mC44_12_g_3i2j_2i_h:Li-O-P-V,44.0,AB7C2D_mC44_12_g_3i2j_2i_h:Li-O-P-V +mp-758422,LiVP2O7,-7.7966130348,-2.665135314,0.0544227682,0.0418115287,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-V, expected LiVP3O25 to be LiVP2O7" +mp-758583,LiVP2O7,-7.8111111334,-2.6796334126,0.0399246695,0.0273134301,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_5e_e:Li-O-P-V, expected LiV(PO5)5 to be LiVP2O7" +mp-705340,LiVP2O7,-7.8333716905,-2.7018939697,0.0176641125,0.005052873,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_26e_4e_e:Li-O-P-V, expected LiV(P2O13)2 to be LiVP2O7" +mp-26887,LiVP2O7,-7.821362602,-2.6898848812,0.0296732009,0.0170619614,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_4e_e:Li-O-P-V, expected LiVP4O25 to be LiVP2O7" +mp-25849,LiVP2O7,-7.8235108564,-2.6920331356,0.0275249466,0.0149137071,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_4e_e:Li-O-P-V, expected LiV(PO6)4 to be LiVP2O7" +mp-26817,LiVP2O7,-7.8347306216,-2.7032529008,0.0163051814,0.0036939419,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_27e_7e_e:Li-O-P-V, expected LiVP7O27 to be LiVP2O7" +mp-758360,LiVP2O7,-7.8072070073,-2.6757292865,0.0438287957,0.0312175562,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_25e_3e_e:Li-O-P-V, expected LiVP3O25 to be LiVP2O7" +mp-758246,LiVP2O7,-7.775110322,-2.6436326013,0.0759254809,0.0633142414,GGA+U,C2/c,AB7C2D_mC88_15_f_7f_2f_f:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mC88_15_f_25f_5f_f:Li-O-P-V, expected LiV(PO5)5 to be LiVP2O7" +mp-26227,LiVP2O7,-7.851035803,-2.7195580822,0.0,-0.0126112395,GGA+U,C2/c,AB7C2D_mC88_15_f_7f_2f_f:Li-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mC88_15_f_23f_5f_f:Li-O-P-V, expected LiVP5O23 to be LiVP2O7" +mp-757374,LiTi3V(PO4)6,-8.1960352046,-2.8851880875,0.0142598266,0.0142598266,GGA+U,R3,AB24C6D3E_hR105_146_a_8b_2b_3a_a:Li-O-P-Ti-V,35.0,"Invalid WP multiplicities - AB24C6D3E_hR105_146_a_20b_2b_3a_a:Li-O-P-Ti-V, expected LiTi3V(PO10)6 to be LiTi3V(PO4)6" +mp-821758,Li3V2P5O18,-4.4787683289,0.5212848881000001,3.1945271389,3.1945271389,GGA+U,P-1,A3B18C5D2_aP56_2_3i_18i_5i_2i:Li-O-P-V,56.0,"Invalid WP multiplicities - A3B18C5D2_aP56_2_6i_34i_10i_3i:Li-O-P-V, expected Li6V3(P5O17)2 to be Li3V2P5O18" +mp-697772,Li3V2P5O18,-7.5974805393,-2.5974273223,0.0758149285,0.0758149285,GGA+U,P-1,A3B18C5D2_aP56_2_3i_18i_5i_2i:Li-O-P-V,56.0,"Invalid WP multiplicities - A3B18C5D2_aP56_2_6i_34i_10i_3i:Li-O-P-V, expected Li6V3(P5O17)2 to be Li3V2P5O18" +mp-757627,LiV3P3O11,-8.0915677726,-2.5463386382,0.0814453502,0.0814453502,GGA+U,P2_1/c,AB11C3D3_mP72_14_e_11e_3e_3e:Li-O-P-V,72.0,"Invalid WP multiplicities - AB11C3D3_mP72_14_e_41e_7e_11e:Li-O-P-V, expected LiV11P7O41 to be LiV3P3O11" +mp-27087,Li7V4P9O32,-7.6257895183,-2.6890232554,0.0358702459,0.0358702459,GGA+U,P-42_1c,A7B32C9D4_tP104_114_ade_8e_b2e_e:Li-O-P-V,104.0,"Invalid WP multiplicities - A7B32C9D4_tP104_114_2a2d2e_49e_2b14e_e:Li-O-P-V, expected Li7V2P29O98 to be Li7V4P9O32" +mp-26091,LiVPO5,-7.8027387616,-2.6602918866,0.0070699675,-0.0124372833,GGA+U,P-1,AB5CD_aP32_2_2i_10i_2i_2i:Li-O-P-V,32.0,AB5CD_aP32_2_2i_10i_2i_2i:Li-O-P-V +mp-753264,LiVPO5,-7.7450877828,-2.6026409079,0.0647209462,0.0452136955,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_i:Li-O-P-V,32.0,AB5CD_aP16_2_i_5i_i_i:Li-O-P-V +mp-1293037,LiVPO5,-7.7487178681,-2.6062709932,0.0610908609,0.0415836102,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_i:Li-O-P-V,32.0,AB5CD_aP16_2_i_5i_i_i:Li-O-P-V +mp-1302676,LiVPO5,-7.7156074931,-2.5731606182,0.0942012359,0.0746939852,GGA+U,P-1,AB5CD_aP32_2_2i_10i_2i_2i:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mC64_15_f_9f_f_2e:Li-O-P-V, expected LiVPO9 to be LiVPO5" +mp-758355,LiVPO5,-7.7533030648,-2.6108561899,0.0565056642,0.0369984134,GGA+U,P2_1,AB5CD_mP64_4_4a_20a_4a_4a:Li-O-P-V,64.0,"Invalid WP multiplicities - AB5CD_mP64_4_6a_38a_6a_6a:Li-O-P-V, expected Li3V3P3O19 to be LiVPO5" +mp-1293121,LiVPO5,-7.7148867306,-2.5724398557,0.0949219984,0.0754147477,GGA+U,C2,AB5CD_mC32_5_c_5c_c_2a:Li-O-P-V,16.0,"Invalid WP multiplicities - AB5CD_mC32_5_c_7c_c_2a:Li-O-P-V, expected LiVPO7 to be LiVPO5" +mp-753248,LiVPO5,-7.7196046162,-2.5771577413,0.0902041128,0.070696862,GGA+U,Pc,AB5CD_mP16_7_a_5a_a_a:Li-O-P-V,16.0,"Invalid WP multiplicities - AB5CD_mP16_7_a_10a_a_a:Li-O-P-V, expected LiVPO10 to be LiVPO5" +mp-753249,LiVPO5,-7.7259916912,-2.5835448163,0.0838170378,0.064309787,GGA+U,C2/m,AB5CD_mC32_12_i_3ij_i_g:Li-O-P-V,16.0,AB5CD_mC32_12_i_3ij_i_g:Li-O-P-V +mp-776381,LiVPO5,-7.7367021842,-2.5942553093000003,0.0731065448,0.0535992941,GGA+U,P2_1/c,AB5CD_mP64_14_2e_10e_2e_2e:Li-O-P-V,64.0,"Invalid WP multiplicities - AB5CD_mP64_14_5e_37e_5e_5e:Li-O-P-V, expected Li5V5P5O37 to be LiVPO5" +mp-757920,LiVPO5,-7.7266686312,-2.5842217563,0.0831400978,0.063632847,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_19e_e_e:Li-O-P-V, expected LiVPO19 to be LiVPO5" +mp-758443,LiVPO5,-7.7193243591,-2.5768774841,0.09048437,0.0709771192,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_9e_e_e:Li-O-P-V, expected LiVPO9 to be LiVPO5" +mp-767598,LiVPO5,-7.7428876509,-2.600440776,0.0669210781,0.0474138273,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_17e_e_e:Li-O-P-V, expected LiVPO17 to be LiVPO5" +mp-26461,LiVPO5,-7.7823015362,-2.6398546613,0.0275071928,0.007999942,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_19e_e_e:Li-O-P-V, expected LiVPO19 to be LiVPO5" +mp-26429,LiVPO5,-7.7828492484,-2.6404023735,0.0269594806,0.0074522298,GGA+U,C2/c,AB5CD_mC64_15_ac_5f_f_de:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_mC64_15_2ac_19f_f_2b2e:Li-O-P-V, expected Li3V4(PO19)2 to be LiVPO5" +mp-772242,LiVPO5,-7.7537252431,-2.6112783682,0.0560834859,0.0365762352,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_17a_a_a:Li-O-P-V, expected LiVPO17 to be LiVPO5" +mp-758074,LiVPO5,-7.7496857591,-2.6072388841,0.06012297,0.0406157192,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_17a_a_a:Li-O-P-V, expected LiVPO17 to be LiVPO5" +mp-772256,LiVPO5,-7.7617109263,-2.6192640513,0.0480978028,0.028590552,GGA+U,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Li-O-P-V,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_5a_37a_5a_5a:Li-O-P-V, expected Li5V5P5O37 to be LiVPO5" +mp-757445,LiVPO5,-7.7285321764,-2.5860853015,0.0812765527,0.0617693019,GGA+U,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:Li-O-P-V,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_5a_37a_5a_5a:Li-O-P-V, expected Li5V5P5O37 to be LiVPO5" +mp-26465,LiVPO5,-7.7778972066,-2.6354503316,0.0319115225,0.0124042717,GGA+U,Pna2_1,AB5CD_oP32_33_a_5a_a_a:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_33_a_10a_a_a:Li-O-P-V, expected LiVPO10 to be LiVPO5" +mp-27055,LiVPO5,-7.7718599056,-2.6294130307,0.0379488234,0.0184415727,GGA+U,Aem2,AB5CD_oC32_39_c_c2d_a_c:Li-O-P-V,16.0,"Invalid WP multiplicities - AB5CD_oC32_39_c_2c8d_a_c:Li-O-P-V, expected LiVPO18 to be LiVPO5" +mp-26963,LiVPO5,-7.8098087291,-2.6673618541,0.0,-0.0195072508,GGA+U,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-V,32.0,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-V +mp-757468,LiVPO5,-7.7406129675,-2.5981660926,0.0691957616,0.0496885108,GGA+U,Pnma,AB5CD_oP32_62_c_3cd_c_a:Li-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_c_9c4d_c_a:Li-O-P-V, expected LiVPO17 to be LiVPO5" +mp-559308,Li5VP2O9,-7.01071153,-2.6592218937,0.068470762,0.068470762,GGA+U,I4/mcm,A5B9C2D_tI68_140_bj_akl_h_c:Li-O-P-V,34.0,"Invalid WP multiplicities - A5B9C2D_tI68_140_2b2j_2a5k5l_h_c:Li-O-P-V, expected Li10V(PO21)2 to be Li5VP2O9" +mp-935669,Li5V2P5O18,-4.7444147737,0.0495630866,2.7783692288,2.7783692288,GGA+U,P-1,A5B18C5D2_aP60_2_5i_18i_5i_2i:Li-O-P-V,60.0,"Invalid WP multiplicities - A5B18C5D2_aP60_2_9i_35i_9i_3i:Li-O-P-V, expected Li9V3P9O35 to be Li5V2P5O18" +mp-26595,Li5V2P5O18,-7.5024245177,-2.7084466574,0.0203594848,0.0203594848,GGA+U,P-1,A5B18C5D2_aP60_2_5i_18i_5i_2i:Li-O-P-V,60.0,"Invalid WP multiplicities - A5B18C5D2_aP60_2_9i_35i_9i_3i:Li-O-P-V, expected Li9V3P9O35 to be Li5V2P5O18" +mp-26635,LiV2P3O10,-7.9876305494,-2.6261599469,0.0289128162,0.0289128162,GGA+U,P2_1/m,AB10C3D2_mP32_11_a_4e3f_3e_f:Li-O-P-V,32.0,"Invalid WP multiplicities - AB10C3D2_mP32_11_a_7e6f_5e_f:Li-O-P-V, expected LiV2P5O19 to be LiV2P3O10" +mp-705365,Li2V(PO4)2,-7.5015475069,-2.6321731603,0.0557619951,0.0557619951,GGA+U,P2_1,A2B8C2D_mP52_4_4a_16a_4a_2a:Li-O-P-V,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_4_8a_32a_6a_2a:Li-O-P-V, expected Li4VP3O16 to be Li2V(PO4)2" +mp-540312,Li2V(PO4)2,-7.513028465,-2.6436541183,0.044281037,0.044281037,GGA+U,P2_1,A2B8C2D_mP26_4_2a_8a_2a_a:Li-O-P-V,26.0,"Invalid WP multiplicities - A2B8C2D_mP26_4_2a_11a_4a_a:Li-O-P-V, expected Li2VP4O11 to be Li2V(PO4)2" +mp-26947,Li2V(PO4)2,-7.5090640519,-2.6396897053,0.0482454501,0.0482454501,GGA+U,Pc,A2B8C2D_mP26_7_2a_8a_2a_a:Li-O-P-V,26.0,A2B8C2D_mP26_7_2a_8a_2a_a:Li-O-P-V +mp-26400,Li2V(PO4)2,-7.5019250631,-2.6325507164,0.0553844389,0.0553844389,GGA+U,Cm,A2B8C2D_mC26_8_2a_4a2b_2a_a:Li-O-P-V,52.0,A2B8C2D_mC26_8_2a_4a2b_2a_a:Li-O-P-V +mp-583836,Li2V(PO4)2,-7.5185453827,-2.6491710360000003,0.0387641193,0.0387641193,GGA+U,Cc,A2B8C2D_mC52_9_2a_8a_2a_a:Li-O-P-V,26.0,"Invalid WP multiplicities - A2B8C2D_mC52_9_2a_15a_2a_a:Li-O-P-V, expected Li2VP2O15 to be Li2V(PO4)2" +mp-762897,Li2V(PO4)2,-7.5257460131,-2.6563716664,0.0315634889,0.0315634889,GGA+U,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-V,52.0,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-V +mp-32525,Li2V(PO4)2,-7.5163464667,-2.6469721201,0.0409630353,0.0409630353,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Li-O-P-V,52.0,"Invalid WP multiplicities - A2B8C2D_mP52_14_5e_29e_6e_e:Li-O-P-V, expected Li5VP6O29 to be Li2V(PO4)2" +mp-26415,Li2V(PO4)2,-7.5287917777,-2.659417431,0.0285177243,0.0285177243,GGA+U,P2_1/c,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-V,52.0,A2B8C2D_mP26_14_e_4e_e_a:Li-O-P-V +mp-850197,Li2V(PO4)2,-7.4805292787,-2.611154932,0.0767802233,0.0767802233,GGA+U,P2_12_12_1,A2B8C2D_oP52_19_2a_8a_2a_a:Li-O-P-V,52.0,"Invalid WP multiplicities - A2B8C2D_oP52_19_5a_29a_5a_a:Li-O-P-V, expected Li5VP5O29 to be Li2V(PO4)2" +mp-763559,Li2V(PO4)2,-7.5042477685,-2.6348734218,0.0530617335,0.0530617335,GGA+U,P-3,A2B8C2D_hP13_147_d_dg_d_a:Li-O-P-V,52.0,A2B8C2D_hP13_147_d_dg_d_a:Li-O-P-V +mp-26673,Li2V(PO4)2,-7.5186116426,-2.6492372959,0.0386978594,0.0386978594,GGA+U,P-3,A2B8C2D_hP39_147_g_4g_g_ad:Li-O-P-V,39.0,"Invalid WP multiplicities - A2B8C2D_hP39_147_g_21g_g_ad:Li-O-P-V, expected Li2V(PO21)2 to be Li2V(PO4)2" +mp-758286,LiV3P5O19,-7.9318557925,-2.5670615381,0.0791178509,0.0791178509,GGA+U,Cm,AB19C5D3_mC56_8_a_3a8b_a2b_ab:Li-O-P-V,28.0,AB19C5D3_mC56_8_a_3a8b_a2b_ab:Li-O-P-V +mp-25948,LiVP4O13,-7.6282434595,-2.5254543958,0.0187721043,0.0187721043,GGA+U,P1,AB13C4D_aP38_1_2a_26a_8a_2a:Li-O-P-V,38.0,AB13C4D_aP38_1_2a_26a_8a_2a:Li-O-P-V +mp-851113,Li4V3P8O29,-7.6131788624,-2.5757288088,0.0463976803,0.0463976803,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851114,Li4V3P8O29,-7.6093435785,-2.571893525,0.0502329641,0.0502329641,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-849411,Li4V3P8O29,-7.6119043695,-2.574454316,0.0476721731,0.0476721731,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-863380,Li4V3P8O29,-7.6104632025,-2.5730131489,0.0491133402,0.0491133402,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-758406,Li4V3P8O29,-7.6108195174,-2.5733694638,0.0487570253,0.0487570253,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760113,Li4V3P8O29,-7.6128634589,-2.5754134053,0.0467130838,0.0467130838,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-849997,Li4V3P8O29,-7.611618745,-2.5741686914,0.0479577977,0.0479577977,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760111,Li4V3P8O29,-7.6128261897,-2.5753761361,0.046750353,0.046750353,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851247,Li4V3P8O29,-7.6117530172,-2.5743029636,0.0478235255,0.0478235255,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851253,Li4V3P8O29,-7.6137411267,-2.5762910732,0.0458354159,0.0458354159,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851254,Li4V3P8O29,-7.6086369672,-2.5711869136,0.0509395755,0.0509395755,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851255,Li4V3P8O29,-7.6141245116,-2.5766744580000003,0.0454520311,0.0454520311,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-851256,Li4V3P8O29,-7.6117174848,-2.5742674312,0.0478590579,0.0478590579,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-780652,Li4V3P8O29,-7.6119465739,-2.5744965203,0.0476299688,0.0476299688,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765395,Li4V3P8O29,-7.6132750738,-2.5758250202,0.0463014689,0.0463014689,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760770,Li4V3P8O29,-7.6127263378,-2.5752762843,0.0468502048,0.0468502048,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765762,Li4V3P8O29,-7.6036198907,-2.5661698371,0.055956652,0.055956652,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-775173,Li4V3P8O29,-7.6127205635,-2.57527051,0.0468559791,0.0468559791,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765412,Li4V3P8O29,-7.6141007682,-2.5766507146,0.0454757745,0.0454757745,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765371,Li4V3P8O29,-7.6099669563,-2.5725169027,0.0496095864,0.0496095864,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765427,Li4V3P8O29,-7.605808734,-2.5683586804000003,0.0537678087,0.0537678087,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765396,Li4V3P8O29,-7.6099644874,-2.5725144338,0.0496120553,0.0496120553,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765417,Li4V3P8O29,-7.6106457565,-2.5731957029,0.0489307862,0.0489307862,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765479,Li4V3P8O29,-7.6146581439,-2.5772080903,0.0449183988,0.0449183988,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765426,Li4V3P8O29,-7.6170402301,-2.5795901766,0.0425363125,0.0425363125,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765408,Li4V3P8O29,-7.6132922618,-2.5758422083,0.0462842808,0.0462842808,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-773489,Li4V3P8O29,-7.6088132009,-2.5713631474,0.0507633417,0.0507633417,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-775383,Li4V3P8O29,-7.611440615,-2.5739905614,0.0481359277,0.0481359277,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-764989,Li4V3P8O29,-7.6089420893,-2.5714920358,0.0506344533,0.0506344533,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-764990,Li4V3P8O29,-7.6124200428,-2.5749699893,0.0471564998,0.0471564998,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-764988,Li4V3P8O29,-7.6121078789,-2.5746578253,0.0474686638,0.0474686638,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765015,Li4V3P8O29,-7.608676982,-2.5712269285,0.0508995606,0.0508995606,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765017,Li4V3P8O29,-7.6098053901,-2.5723553366000003,0.0497711525,0.0497711525,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765043,Li4V3P8O29,-7.6095014922,-2.5720514386,0.0500750505,0.0500750505,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760224,Li4V3P8O29,-7.6134053284,-2.5759552749,0.0461712142,0.0461712142,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760278,Li4V3P8O29,-7.612694155,-2.5752441014,0.0468823877,0.0468823877,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177183,Li4V3P8O29,-7.6125933668,-2.5751433133,0.0469831758,0.0469831758,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177184,Li4V3P8O29,-7.6100443655,-2.5725943119,0.0495321772,0.0495321772,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177189,Li4V3P8O29,-7.6081271158,-2.5706770622,0.0514494269,0.0514494269,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177190,Li4V3P8O29,-7.6090477006,-2.571597647,0.0505288421,0.0505288421,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177191,Li4V3P8O29,-7.6090708589,-2.5716208053000003,0.0505056838,0.0505056838,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177194,Li4V3P8O29,-7.6093482408,-2.5718981872,0.0502283019,0.0502283019,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177197,Li4V3P8O29,-7.6126789551,-2.5752289016,0.0468975875,0.0468975875,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177198,Li4V3P8O29,-7.6124584813,-2.5750084277000003,0.0471180614,0.0471180614,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177200,Li4V3P8O29,-7.6120879307,-2.5746378771,0.047488612,0.047488612,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177201,Li4V3P8O29,-7.6083216134,-2.5708715599,0.0512549292,0.0512549292,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177202,Li4V3P8O29,-7.6047131889,-2.5672631353,0.0548633538,0.0548633538,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177204,Li4V3P8O29,-7.614402723099999,-2.5769526695,0.0451738196,0.0451738196,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177205,Li4V3P8O29,-7.6066846975,-2.5692346439,0.0528918452,0.0528918452,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177208,Li4V3P8O29,-7.6105641278,-2.5731140743000003,0.0490124148,0.0490124148,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177210,Li4V3P8O29,-7.613300641,-2.5758505875,0.0462759016,0.0462759016,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177211,Li4V3P8O29,-7.606024687,-2.5685746335,0.0535518556,0.0535518556,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177212,Li4V3P8O29,-7.6133680492,-2.5759179957,0.0462084934,0.0462084934,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177214,Li4V3P8O29,-7.6098070673,-2.5723570137,0.0497694754,0.0497694754,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177215,Li4V3P8O29,-7.6120717059,-2.5746216524000003,0.0475048367,0.0475048367,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177216,Li4V3P8O29,-7.6171430435,-2.57969299,0.0424334991,0.0424334991,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177218,Li4V3P8O29,-7.6115355826,-2.5740855291,0.04804096,0.04804096,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177222,Li4V3P8O29,-7.6101839813,-2.5727339277,0.0493925614,0.0493925614,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177226,Li4V3P8O29,-7.6157177657,-2.5782677121,0.043858777,0.043858777,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-765025,Li4V3P8O29,-7.6127422093,-2.5752921558,0.0468343333,0.0468343333,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177229,Li4V3P8O29,-7.6128964256,-2.575446372,0.0466801171,0.0466801171,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760176,Li4V3P8O29,-7.6154071432,-2.5779570896,0.0441693995,0.0441693995,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177335,Li4V3P8O29,-7.6107524439,-2.5733023903000003,0.0488240988,0.0488240988,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177352,Li4V3P8O29,-7.6042863893,-2.5668363358,0.0552901533,0.0552901533,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177383,Li4V3P8O29,-7.6124392648,-2.5749892112,0.0471372779,0.0471372779,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177393,Li4V3P8O29,-7.6164279835,-2.57897793,0.0431485591,0.0431485591,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-1177400,Li4V3P8O29,-7.6100715007,-2.5726214471,0.049505042,0.049505042,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-759906,Li4V3P8O29,-7.6068719911,-2.5694219376,0.0527045515,0.0527045515,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-759745,Li4V3P8O29,-7.6119040033,-2.5744539497,0.0476725394,0.0476725394,GGA+U,P1,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V,88.0,A4B29C8D3_aP88_1_8a_58a_16a_6a:Li-O-P-V +mp-760322,Li4V3P8O29,-7.6086490384,-2.5711989849,0.0509275042,0.0509275042,GGA+U,C2,A4B29C8D3_mC176_5_4c_ab28c_8c_ab2c:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_5_8c_ab56c_16c_ab4c:Li-O-P-V, expected Li8V5P16O57 to be Li4V3P8O29" +mp-1177292,Li4V3P8O29,-7.6034908411,-2.5660407876,0.0560857015,0.0560857015,GGA+U,C2,A4B29C8D3_mC176_5_4c_ab28c_8c_ab2c:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_5_8c_ab56c_16c_ab4c:Li-O-P-V, expected Li8V5P16O57 to be Li4V3P8O29" +mp-1177309,Li4V3P8O29,-7.6096551903,-2.5722051368,0.0499213523,0.0499213523,GGA+U,C2,A4B29C8D3_mC176_5_4c_ab28c_8c_ab2c:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_5_7c_ab54c_14c_ab3c:Li-O-P-V, expected Li7V4P14O55 to be Li4V3P8O29" +mp-1177320,Li4V3P8O29,-7.6091237735,-2.57167372,0.0504527691,0.0504527691,GGA+U,C2,A4B29C8D3_mC176_5_4c_ab28c_8c_ab2c:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_5_6c_ab56c_14c_ab3c:Li-O-P-V, expected Li6V4P14O57 to be Li4V3P8O29" +mp-759494,Li4V3P8O29,-7.6093851442,-2.5719350907000003,0.0501913984,0.0501913984,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_7a_56a_12a_5a:Li-O-P-V, expected Li7V5(P3O14)4 to be Li4V3P8O29" +mp-851334,Li4V3P8O29,-7.6191873726,-2.5817373191,0.04038917,0.04038917,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_14a_5a:Li-O-P-V, expected Li6V5(PO4)14 to be Li4V3P8O29" +mp-759078,Li4V3P8O29,-7.6081384238,-2.5706883702,0.0514381189,0.0514381189,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_4a_56a_12a_5a:Li-O-P-V, expected Li4V5(P3O14)4 to be Li4V3P8O29" +mp-850022,Li4V3P8O29,-7.6126646488,-2.5752145952000003,0.0469118939,0.0469118939,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_7a_56a_12a_5a:Li-O-P-V, expected Li7V5(P3O14)4 to be Li4V3P8O29" +mp-765428,Li4V3P8O29,-7.6181527993,-2.5807027458,0.0414237433,0.0414237433,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_12a_5a:Li-O-P-V, expected Li6V5(P3O14)4 to be Li4V3P8O29" +mp-765430,Li4V3P8O29,-7.6108890153,-2.5734389618,0.0486875273,0.0486875273,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_14a_5a:Li-O-P-V, expected Li6V5(PO4)14 to be Li4V3P8O29" +mp-765018,Li4V3P8O29,-7.6021434823,-2.5646934287,0.0574330604,0.0574330604,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_14a_5a:Li-O-P-V, expected Li6V5(PO4)14 to be Li4V3P8O29" +mp-1177192,Li4V3P8O29,-7.6140308336,-2.5765807801,0.045545709,0.045545709,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_4a_56a_14a_5a:Li-O-P-V, expected Li4V5(PO4)14 to be Li4V3P8O29" +mp-1177203,Li4V3P8O29,-7.6123549372,-2.5749048836,0.0472216055,0.0472216055,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_12a_5a:Li-O-P-V, expected Li6V5(P3O14)4 to be Li4V3P8O29" +mp-1177387,Li4V3P8O29,-7.6142794063,-2.5768293527,0.0452971364,0.0452971364,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_4a_56a_14a_5a:Li-O-P-V, expected Li4V5(PO4)14 to be Li4V3P8O29" +mp-1177550,Li4V3P8O29,-7.6216483347,-2.5841982811,0.037928208,0.037928208,GGA+U,Cc,A4B29C8D3_mC176_9_4a_29a_8a_3a:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_9_6a_56a_14a_5a:Li-O-P-V, expected Li6V5(PO4)14 to be Li4V3P8O29" +mp-759620,Li4V3P8O29,-7.6107091505,-2.5732590969,0.0488673922,0.0488673922,GGA+U,C2/c,A4B29C8D3_mC176_15_2f_e14f_4f_ef:Li-O-P-V,88.0,"Invalid WP multiplicities - A4B29C8D3_mC176_15_7f_2e52f_11f_2ef:Li-O-P-V, expected Li7V2P11O53 to be Li4V3P8O29" +mp-759426,Li4V(PO3)6,-7.375215679,-2.6083257004,0.072910769,0.072910769,GGA+U,P1,A4B18C6D_aP29_1_4a_18a_6a_a:Li-O-P-V,29.0,A4B18C6D_aP29_1_4a_18a_6a_a:Li-O-P-V +mp-758386,Li4V(PO3)6,-7.3768213952,-2.6099314166000003,0.0713050528,0.0713050528,GGA+U,C2/c,A4B18C6D_mC116_15_2f_9f_3f_e:Li-O-P-V,58.0,"Invalid WP multiplicities - A4B18C6D_mC116_15_3f_33f_5f_e:Li-O-P-V, expected Li6V(P5O33)2 to be Li4V(PO3)6" +mp-504206,LiV(PO3)5,-7.6707925011,-2.5680801312,0.0173514159,0.0173514159,GGA+U,P2_1/c,AB15C5D_mP88_14_e_15e_5e_ac:Li-O-P-V,88.0,"Invalid WP multiplicities - AB15C5D_mP88_14_e_52e_16e_ac:Li-O-P-V, expected LiV(P4O13)4 to be LiV(PO3)5" +mp-772292,Li2V3(PO4)3,-7.9367224332,-2.6032356333,0.0595648212,0.0595648212,GGA+U,C2,A2B12C3D3_mC80_5_abc_12c_ab2c_3c:Li-O-P-V,40.0,"Invalid WP multiplicities - A2B12C3D3_mC80_5_abc_22c_ab2c_6c:Li-O-P-V, expected Li2V6P3O22 to be Li2V3(PO4)3" +mp-752517,LiV2PO7,-8.0026148941,-2.5374459403,0.079123743,0.079123743,GGA+U,P2_1,AB7CD2_mP22_4_a_7a_a_2a:Li-O-P-V,22.0,"Invalid WP multiplicities - AB7CD2_mP22_4_a_14a_a_4a:Li-O-P-V, expected LiV4PO14 to be LiV2PO7" +mp-798859,Li3VP3O11,-3.9830549636,0.7649538149,3.4596816091,3.4596816091,GGA+U,P-1,A3B11C3D_aP36_2_3i_11i_3i_i:Li-O-P-V,36.0,"Invalid WP multiplicities - A3B11C3D_aP36_2_5i_21i_5i_i:Li-O-P-V, expected Li5VP5O21 to be Li3VP3O11" +mp-705334,Li2V(PO3)5,-7.6062726263,-2.6424206695,0.03753639,0.03753639,GGA+U,Pc,A2B15C5D_mP46_7_2a_15a_5a_a:Li-O-P-V,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_7_2a_29a_8a_a:Li-O-P-V, expected Li2VP8O29 to be Li2V(PO3)5" +mp-540330,Li2V(PO3)5,-7.6116085709,-2.6477566141,0.0322004454,0.0322004454,GGA+U,P2_1/m,A2B15C5D_mP46_11_f_3e6f_e2f_a:Li-O-P-V,46.0,"Invalid WP multiplicities - A2B15C5D_mP46_11_f_6e20f_2e6f_a:Li-O-P-V, expected Li2V(P7O23)2 to be Li2V(PO3)5" +mp-758345,Li4V7(PO4)6,-7.9633432156,-2.538382775,0.0828841809,0.0828841809,GGA+U,Cm,A4B24C6D7_mC82_8_2ab_4a10b_2a2b_a3b:Li-O-P-V,41.0,A4B24C6D7_mC82_8_2ab_4a10b_2a2b_a3b:Li-O-P-V +mp-757986,Li4V7(PO4)6,-7.9620758173,-2.5371153767,0.0841515792,0.0841515792,GGA+U,Cm,A4B24C6D7_mC82_8_2ab_4a10b_2a2b_a3b:Li-O-P-V,41.0,A4B24C6D7_mC82_8_2ab_4a10b_2a2b_a3b:Li-O-P-V +mp-1177556,Li3V5(PO4)6,-7.9860464582,-2.6611347987,0.0548704132,0.0548704132,GGA+U,C2/c,A3B24C6D5_mC152_15_ef_12f_2e2f_c2ef:Li-O-P-V,76.0,"Invalid WP multiplicities - A3B24C6D5_mC152_15_2e3f_45f_4e7f_2a4e4f:Li-O-P-V, expected Li4V7(PO5)9 to be Li3V5(PO4)6" +mp-675045,Li7VP4,-3.9004453825,-0.2254807022,0.4634606482,0.4634606482,GGA,P1,A7B4C_aP24_1_14a_8a_2a:Li-P-V,24.0,A7B4C_aP24_1_14a_8a_2a:Li-P-V +mp-704203,Li2VP4O13,-7.5632959115,-2.6202001577000003,0.0458367092,0.0458367092,GGA+U,P-1,A2B13C4D_aP40_2_2i_13i_4i_i:Li-O-P-V,40.0,"Invalid WP multiplicities - A2B13C4D_aP40_2_4i_25i_6i_i:Li-O-P-V, expected Li4VP6O25 to be Li2VP4O13" +mp-758066,Li2V3(P2O7)2,-7.9119724954,-2.6086500638,0.0475918521,0.0475918521,GGA+U,P-1,A2B14C4D3_aP46_2_2i_14i_4i_3i:Li-O-P-V,46.0,"Invalid WP multiplicities - A2B14C4D3_aP46_2_3i_27i_7i_5i:Li-O-P-V, expected Li3V5P7O27 to be Li2V3(P2O7)2" +mp-753270,Li2V3(P2O7)2,-7.9124841337,-2.6091617021,0.0470802138,0.0470802138,GGA+U,P-1,A2B14C4D3_aP23_2_i_7i_2i_ai:Li-O-P-V,46.0,"Invalid WP multiplicities - A2B14C4D3_aP23_2_i_7i_2i_2a2i:Li-O-P-V, expected LiV3P2O7 to be Li2V3(P2O7)2" +mp-26241,Li2V3(P2O7)2,-7.9383240143,-2.6350015827,0.0212403332,0.0212403332,GGA+U,P2_1/c,A2B14C4D3_mP46_14_e_7e_2e_ae:Li-O-P-V,46.0,"Invalid WP multiplicities - A2B14C4D3_mP46_14_e_27e_3e_2a2e:Li-O-P-V, expected LiV3(PO9)3 to be Li2V3(P2O7)2" +mp-760124,Li6V3P8O29,-7.5604151854,-2.6589880531,0.0226615843,0.0226615843,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-759755,Li6V3P8O29,-7.5565417348,-2.6551146024000003,0.026535035,0.026535035,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-760160,Li6V3P8O29,-7.549011787,-2.6475846546,0.0340649828,0.0340649828,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_10a_56a_14a_5a:Li-O-P-V, expected Li10V5(PO4)14 to be Li6V3P8O29" +mp-772081,Li6V3P8O29,-7.5555317923,-2.6541046599,0.0275449775,0.0275449775,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772075,Li6V3P8O29,-7.5609339899,-2.6595068575000003,0.0221427798,0.0221427798,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772078,Li6V3P8O29,-7.5551416767,-2.6537145444,0.027935093,0.027935093,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772026,Li6V3P8O29,-7.5571294524,-2.65570232,0.0259473173,0.0259473173,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772112,Li6V3P8O29,-7.5565574358,-2.6551303034,0.026519334,0.026519334,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772092,Li6V3P8O29,-7.5592927165,-2.6578655841,0.0237840532,0.0237840532,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772104,Li6V3P8O29,-7.5598619674,-2.658434835,0.0232148023,0.0232148023,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-771874,Li6V3P8O29,-7.554905914,-2.6534787816,0.0281708557,0.0281708557,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-771835,Li6V3P8O29,-7.5588514218,-2.6574242895,0.0242253479,0.0242253479,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772227,Li6V3P8O29,-7.5563738246,-2.6549466922,0.0267029452,0.0267029452,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772139,Li6V3P8O29,-7.5586390314,-2.657211899,0.0244377383,0.0244377383,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772196,Li6V3P8O29,-7.5613406284,-2.659913496,0.0217361414,0.0217361414,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772361,Li6V3P8O29,-7.5624565518,-2.6610294195,0.0206202179,0.0206202179,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772985,Li6V3P8O29,-7.561065211,-2.6596380786,0.0220115588,0.0220115588,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-773693,Li6V3P8O29,-7.5614077591,-2.6599806267,0.0216690106,0.0216690106,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772675,Li6V3P8O29,-7.563722341,-2.6622952086,0.0193544288,0.0193544288,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772646,Li6V3P8O29,-7.559161759,-2.6577346266,0.0239150107,0.0239150107,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772642,Li6V3P8O29,-7.5607401755,-2.6593130432,0.0223365942,0.0223365942,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772709,Li6V3P8O29,-7.5638957458,-2.6624686134,0.019181024,0.019181024,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772719,Li6V3P8O29,-7.5624063368,-2.6609792045000003,0.0206704329,0.0206704329,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772963,Li6V3P8O29,-7.5615739757,-2.6601468433,0.0215027941,0.0215027941,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772961,Li6V3P8O29,-7.5598201142,-2.6583929819,0.0232566555,0.0232566555,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-772407,Li6V3P8O29,-7.5605432887,-2.6591161563,0.022533481,0.022533481,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-774273,Li6V3P8O29,-7.5601494576,-2.6587223252000003,0.0229273121,0.0229273121,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757882,Li6V3P8O29,-7.5555868964,-2.654159764,0.0274898733,0.0274898733,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757217,Li6V3P8O29,-7.5601029391,-2.6586758067,0.0229738306,0.0229738306,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757184,Li6V3P8O29,-7.559649229,-2.6582220966,0.0234275407,0.0234275407,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757536,Li6V3P8O29,-7.5602129792,-2.6587858469,0.0228637905,0.0228637905,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757213,Li6V3P8O29,-7.5581681033,-2.6567409709,0.0249086665,0.0249086665,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757591,Li6V3P8O29,-7.5611209246,-2.6596937922,0.0219558452,0.0219558452,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757517,Li6V3P8O29,-7.5598297378,-2.6584026054,0.0232470319,0.0232470319,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757400,Li6V3P8O29,-7.5595944685,-2.6581673361,0.0234823013,0.0234823013,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757631,Li6V3P8O29,-7.5591940655,-2.6577669332,0.0238827042,0.0238827042,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-757632,Li6V3P8O29,-7.5590203622,-2.6575932298,0.0240564076,0.0240564076,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-760114,Li6V3P8O29,-7.5578250814,-2.656397949,0.0252516883,0.0252516883,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-760259,Li6V3P8O29,-7.5612093721,-2.6597822397,0.0218673977,0.0218673977,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-760201,Li6V3P8O29,-7.5611874496,-2.6597603172,0.0218893202,0.0218893202,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176908,Li6V3P8O29,-7.5633479034,-2.661920771,0.0197288664,0.0197288664,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176912,Li6V3P8O29,-7.5575099614,-2.656082829,0.0255668083,0.0255668083,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176914,Li6V3P8O29,-7.5633974312,-2.6619702988,0.0196793385,0.0196793385,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176915,Li6V3P8O29,-7.5602173937,-2.6587902613,0.022859376,0.022859376,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176916,Li6V3P8O29,-7.5600057339,-2.6585786015,0.0230710358,0.0230710358,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176917,Li6V3P8O29,-7.5607931879,-2.6593660556,0.0222835818,0.0222835818,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176918,Li6V3P8O29,-7.5636117582,-2.6621846258,0.0194650116,0.0194650116,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176919,Li6V3P8O29,-7.5606286703,-2.6592015379,0.0224480994,0.0224480994,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176920,Li6V3P8O29,-7.5593136803,-2.6578865479,0.0237630894,0.0237630894,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176921,Li6V3P8O29,-7.5545110784,-2.653083946,0.0285656914,0.0285656914,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176922,Li6V3P8O29,-7.5589556536,-2.6575285212,0.0241211162,0.0241211162,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176923,Li6V3P8O29,-7.5636864379,-2.6622593056,0.0193903318,0.0193903318,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176925,Li6V3P8O29,-7.5602014427,-2.6587743103,0.022875327,0.022875327,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176926,Li6V3P8O29,-7.555871194,-2.6544440616,0.0272055757,0.0272055757,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176927,Li6V3P8O29,-7.5614306618,-2.6600035295,0.0216461079,0.0216461079,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176928,Li6V3P8O29,-7.5607996726,-2.6593725402,0.0222770971,0.0222770971,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176929,Li6V3P8O29,-7.5568082784,-2.655381146,0.0262684914,0.0262684914,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176930,Li6V3P8O29,-7.5623715305,-2.6609443982,0.0207052392,0.0207052392,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176932,Li6V3P8O29,-7.5565279722,-2.6551008398,0.0265487976,0.0265487976,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176935,Li6V3P8O29,-7.5617223224,-2.6602951900000003,0.0213544473,0.0213544473,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176938,Li6V3P8O29,-7.5556476516,-2.6542205192,0.0274291181,0.0274291181,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176942,Li6V3P8O29,-7.5566531003,-2.6552259679,0.0264236694,0.0264236694,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176943,Li6V3P8O29,-7.5590749678,-2.6576478354,0.0240018019,0.0240018019,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176944,Li6V3P8O29,-7.5570627201,-2.6556355877,0.0260140496,0.0260140496,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1176948,Li6V3P8O29,-7.5592036708,-2.6577765384000003,0.023873099,0.023873099,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177009,Li6V3P8O29,-7.559595244,-2.6581681116,0.0234815257,0.0234815257,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177041,Li6V3P8O29,-7.5632748626,-2.6618477302,0.0198019071,0.0198019071,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177068,Li6V3P8O29,-7.5573177399,-2.6558906075,0.0257590298,0.0257590298,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177100,Li6V3P8O29,-7.5601273974,-2.658700265,0.0229493723,0.0229493723,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177106,Li6V3P8O29,-7.5615672127,-2.6601400803,0.021509557,0.021509557,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177111,Li6V3P8O29,-7.5579588417,-2.6565317094000003,0.025117928,0.025117928,GGA+U,P1,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-504367,Li6V3P8O29,-7.5646542736,-2.6632271412,0.0184224962,0.0184224962,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_11a_56a_14a_6a:Li-O-P-V, expected Li11V6(PO4)14 to be Li6V3P8O29" +mp-772557,Li6V3P8O29,-7.5616241725,-2.6601970401,0.0214525972,0.0214525972,GGA+U,P-1,A6B29C8D3_aP92_2_6i_29i_8i_3i:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_aP92_2_11i_57i_15i_3i:Li-O-P-V, expected Li11V3(P5O19)3 to be Li6V3P8O29" +mp-1176947,Li6V3P8O29,-7.5557513152,-2.6543241828,0.0273254545,0.0273254545,GGA+U,P-1,A6B29C8D3_aP92_2_ab5i_29i_8i_3i:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_aP92_2_ab9i_57i_15i_3i:Li-O-P-V, expected Li10V3(P5O19)3 to be Li6V3P8O29" +mp-760070,Li6V3P8O29,-7.5570269786,-2.6555998462,0.0260497912,0.0260497912,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_9c_ab56c_14c_ab3c:Li-O-P-V, expected Li9V4P14O57 to be Li6V3P8O29" +mp-1176903,Li6V3P8O29,-7.5612832543,-2.659856122,0.0217935154,0.0217935154,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_12c_ab54c_14c_ab3c:Li-O-P-V, expected Li12V4P14O55 to be Li6V3P8O29" +mp-1176904,Li6V3P8O29,-7.5623018702,-2.6608747378,0.0207748995,0.0207748995,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_10c_ab56c_14c_ab3c:Li-O-P-V, expected Li10V4P14O57 to be Li6V3P8O29" +mp-1176905,Li6V3P8O29,-7.561266526,-2.6598393936,0.0218102438,0.0218102438,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_12c_ab56c_16c_ab4c:Li-O-P-V, expected Li12V5P16O57 to be Li6V3P8O29" +mp-1176909,Li6V3P8O29,-7.5590698789,-2.6576427465,0.0240068908,0.0240068908,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_11c_ab56c_16c_ab4c:Li-O-P-V, expected Li11V5P16O57 to be Li6V3P8O29" +mp-1176998,Li6V3P8O29,-7.5578403652,-2.6564132328000003,0.0252364045,0.0252364045,GGA+U,C2,A6B29C8D3_mC184_5_6c_ab28c_8c_ab2c:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_5_11c_ab54c_14c_ab3c:Li-O-P-V, expected Li11V4P14O55 to be Li6V3P8O29" +mp-772239,Li6V3P8O29,-7.557442234,-2.6560151016,0.0256345357,0.0256345357,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-773684,Li6V3P8O29,-7.5607103125,-2.6592831801,0.0223664572,0.0223664572,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_8a_56a_12a_5a:Li-O-P-V, expected Li8V5(P3O14)4 to be Li6V3P8O29" +mp-757509,Li6V3P8O29,-7.5483637278,-2.6469365954,0.0347130419,0.0347130419,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_9a_56a_12a_5a:Li-O-P-V, expected Li9V5(P3O14)4 to be Li6V3P8O29" +mp-1176902,Li6V3P8O29,-7.5583454505,-2.6569183182,0.0247313192,0.0247313192,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_9a_56a_12a_5a:Li-O-P-V, expected Li9V5(P3O14)4 to be Li6V3P8O29" +mp-1176906,Li6V3P8O29,-7.5595848115,-2.6581576791,0.0234919582,0.0234919582,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_9a_56a_12a_5a:Li-O-P-V, expected Li9V5(P3O14)4 to be Li6V3P8O29" +mp-1176913,Li6V3P8O29,-7.5560603562,-2.6546332238,0.0270164135,0.0270164135,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,A6B29C8D3_aP92_1_12a_58a_16a_6a:Li-O-P-V +mp-1177035,Li6V3P8O29,-7.5620140391,-2.6605869067,0.0210627306,0.0210627306,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_8a_56a_12a_5a:Li-O-P-V, expected Li8V5(P3O14)4 to be Li6V3P8O29" +mp-1177071,Li6V3P8O29,-7.5609814837,-2.6595543513,0.022095286,0.022095286,GGA+U,Cc,A6B29C8D3_mC184_9_6a_29a_8a_3a:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_mC184_9_8a_56a_14a_5a:Li-O-P-V, expected Li8V5(PO4)14 to be Li6V3P8O29" +mp-1176900,Li6V3P8O29,-7.5459981692,-2.6445710369,0.0370786005,0.0370786005,GGA+U,P3,A6B29C8D3_hP92_143_abc3d_2a2b18d_2a2b4d_2d:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_hP92_143_abc6d_2a2b54d_2a2b10d_4d:Li-O-P-V, expected Li21V12(P17O83)2 to be Li6V3P8O29" +mp-1176896,Li6V3P8O29,-7.559599992,-2.6581728596,0.0234767778,0.0234767778,GGA+U,P3c1,A6B29C8D3_hP92_158_abcd_ab9d_ab2d_d:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_hP92_158_abc2d_ab54d_ab8d_d:Li-O-P-V, expected Li9V3(P13O82)2 to be Li6V3P8O29" +mp-760182,Li6V3P8O29,-7.5648292693,-2.6634021370000003,0.0182475004,0.0182475004,GGA+U,P-3c1,A6B29C8D3_hP92_165_g_df4g_dg_f:Li-O-P-V,92.0,"Invalid WP multiplicities - A6B29C8D3_hP92_165_g_2d6f45g_2d3g_f:Li-O-P-V, expected Li6V3(P11O146)2 to be Li6V3P8O29" +mp-1228621,Ba2S2O3F2,-6.0682947467,-2.6489754486,0.2525234623,0.2525234623,GGA,P1,A2B2C3D2_aP9_1_2a_2a_3a_2a:Ba-F-O-S,9.0,A2B2C3D2_aP9_1_2a_2a_3a_2a:Ba-F-O-S +mp-551403,Ba2Fe2S2OF2,-6.5795039228,-2.3772218472,0.0263527767,0.0263527767,GGA+U,I4/mmm,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Fe-O-S,18.0,A2B2C2DE2_tI18_139_e_d_c_a_e:Ba-F-Fe-O-S +mp-1181422,FeH8N2F5,-4.349395763,-0.4842573719,0.9857093319,0.9857093319,GGA+U,Pnma,A5BC8D2_oP64_62_c2d_a_4c2d_2c:F-Fe-H-N,64.0,A5BC8D2_oP64_62_c2d_a_4c2d_2c:F-Fe-H-N +mp-1196345,FeH9(NF)3,-5.4211973027,-1.0619174719,0.045095993,0.045095993,GGA+U,P2_1/c,A3BC9D3_mP64_14_3e_e_9e_3e:F-Fe-H-N,64.0,A3BC9D3_mP64_14_3e_e_9e_3e:F-Fe-H-N +mp-1212951,FeH4N2F5,-5.0821169648,-1.0595077917,0.5926580681,0.5926580681,GGA+U,Pnma,A5BC4D2_oP48_62_c2d_a_2cd_2c:F-Fe-H-N,48.0,A5BC4D2_oP48_62_c2d_a_2cd_2c:F-Fe-H-N +mp-1105542,NaFeH8(NF3)2,-5.2318563139,-1.6165108406000002,0.0286054771,0.0286054771,GGA+U,Fm-3m,A6BC8D2E_cF72_225_e_a_f_c_b:F-Fe-H-N-Na,18.0,A6BC8D2E_cF72_225_e_a_f_c_b:F-Fe-H-N-Na +mp-699478,FeH12(NF2)3,-5.1989964834,-1.3053104684,0.0547207267,0.0547207267,GGA+U,P2_12_12_1,A6BC12D3_oP88_19_6a_a_12a_3a:F-Fe-H-N,88.0,A6BC12D3_oP88_19_6a_a_12a_3a:F-Fe-H-N +mp-1212793,Fe2H4NF6,-5.7797258113000005,-1.9092400167,0.0007402856,0.0007402856,GGA+U,Pnma,A6B2C4D_oP52_62_2c2d_ac_2cd_c:F-Fe-H-N,52.0,A6B2C4D_oP52_62_2c2d_ac_2cd_c:F-Fe-H-N +mp-706616,ZnH8(O2F)2,-5.008838097,-1.541420447,0.0048229183,0.0048229183,GGA,Pca2_1,A2B8C4D_oP60_29_2a_8a_4a_a:F-H-O-Zn,60.0,A2B8C4D_oP60_29_2a_8a_4a_a:F-H-O-Zn +mp-1212524,InH3F3,-3.6716025979,-1.0052742025,0.6145011386,0.6145011386,GGA,P2/c,A3B3C_mP14_13_eg_fg_e:F-H-In,14.0,A3B3C_mP14_13_eg_fg_e:F-H-In +mp-729903,ZnInH14O7F5,-5.066143113,-1.6485071207000002,0.0,-0.0031298331,GGA,P-1,A5B14CD7E_aP56_2_5i_14i_bc_7i_dh:F-H-In-O-Zn,56.0,A5B14CD7E_aP56_2_5i_14i_bc_7i_dh:F-H-In-O-Zn +mp-1202909,Zn(I3N2)2,-2.6339645664,1.3156646527,1.6872228815,1.6872228815,GGA,P3_121,A6B4C_hP33_152_3c_2c_a:I-N-Zn,33.0,A6B4C_hP33_152_3c_2c_a:I-N-Zn +mp-1200647,Cs3ZnI5,-2.7617777897,-1.504801959,0.0,-0.002553571,GGA,Pnma,A3B5C_oP36_62_cd_3cd_c:Cs-I-Zn,36.0,A3B5C_oP36_62_cd_3cd_c:Cs-I-Zn +mp-1204449,Cs2ZnI4,-2.7061050955,-1.4283888449,0.0,-0.0091384854,GGA,Pna2_1,A2B4C_oP84_33_6a_12a_3a:Cs-I-Zn,84.0,A2B4C_oP84_33_6a_12a_3a:Cs-I-Zn +mp-1192802,Cs2ZnI4,-2.7054037782,-1.4276875276,0.0007013173,-0.0084371681,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-I-Zn,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-I-Zn +mp-556385,Cs3ZnI4NO3,-4.1929582652,-1.4416268331,0.0175284771,0.0175284771,GGA,Pnma,A3B4CD3E_oP48_62_cd_2cd_c_cd_c:Cs-I-N-O-Zn,48.0,"Invalid WP multiplicities - A3B4CD3E_oP48_62_c2d_6c5d_c_2c3d_c:Cs-I-N-O-Zn, expected Cs5ZnI16NO8 to be Cs3ZnI4NO3" +mp-1188466,Zn2IN,-3.5071474419,-0.4248103181,0.0,-0.0651179323,GGA,Pnma,ABC2_oP16_62_c_c_ac:I-N-Zn,16.0,ABC2_oP16_62_c_c_ac:I-N-Zn +mp-1203902,CoAs2S6(NF3)6,-5.2403052306,-1.4320978133,0.20356398,0.20356398,GGA+U,P2_1/c,A2BC18D6E6_mP66_14_e_a_9e_3e_3e:As-Co-F-N-S,66.0,A2BC18D6E6_mP66_14_e_a_9e_3e_3e:As-Co-F-N-S +mp-556393,RbBe4(BO3)3,-7.6930114996,-2.9579197792,0.0,-0.0112813306,GGA,Pnma,A3B4C9D_oP68_62_cd_2d_c4d_c:B-Be-O-Rb,68.0,"Invalid WP multiplicities - A3B4C9D_oP68_62_2c2d_9d_3c27d_c:B-Be-O-Rb, expected RbBe18(B2O19)3 to be RbBe4(BO3)3" +mp-7323,RbBe2BO3F2,-6.9292150044,-3.1734621553,0.0,-0.0369295447,GGA,R32,AB2C2D3E_hR27_155_a_c_c_d_b:B-Be-F-O-Rb,9.0,AB2C2D3E_hR27_155_a_c_c_d_b:B-Be-F-O-Rb +mp-1020621,RbBe2B3O7,-7.7472063483,-2.8914866487,0.0142654388,0.0142654388,GGA,Pmn2_1,A3B2C7D_oP52_31_2a2b_2b_4a5b_2a:B-Be-O-Rb,52.0,A3B2C7D_oP52_31_2a2b_2b_4a5b_2a:B-Be-O-Rb +mp-1521083,KSrCeWO6,-8.056649013,-2.9195246077,0.0499710097,0.0499710097,GGA+U,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Ce-K-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Ce-K-O-Sr-W, expected K2SrCeWO12 to be KSrCeWO6" +mp-1521246,KSrCeWO6,-8.001178632,-2.8640542267,0.1054413907,0.1054413907,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ce-K-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ce-K-O-Sr-W +mp-1193926,K3Lu(PO4)2,-7.1478501661,-2.9869743043,0.0201352554,-0.0259549096,GGA,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Lu-O-P,28.0,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Lu-O-P +mp-1194079,K3Lu(PO4)2,-7.1646999682,-3.0038241065,0.0032854532,-0.0428047118,GGA,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Lu-O-P,28.0,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Lu-O-P +mp-18150,K3Lu(PO4)2,-7.1679854214,-3.0071095597,0.0,-0.046090165,GGA,P-3,A3BC8D2_hP42_147_adg_bd_4g_g:K-Lu-O-P,42.0,A3BC8D2_hP42_147_adg_bd_4g_g:K-Lu-O-P +mp-1212494,LuZr6(PO4)9,-8.6747908478,-3.2400279542,0.0108069419,0.0108069419,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Lu-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Lu-O-P-Zr +mp-677250,K2LuZr(PO4)3,-7.9740548107,-3.1903905423,0.0,-0.0132018607,GGA,P2_13,A2BC12D3E_cP76_198_2a_a_4b_b_a:K-Lu-O-P-Zr,76.0,"Invalid WP multiplicities - A2BC12D3E_cP76_198_5a_a_41b_b_a:K-Lu-O-P-Zr, expected K5LuZr(PO41)3 to be K2LuZr(PO4)3" +mp-559395,KLuP2O7,-7.8091934602,-3.1651229639,0.0,-0.021410267,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:K-Lu-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_24e_2e:K-Lu-O-P, expected KLu(PO12)2 to be KLuP2O7" +mp-1211512,K2YSbO7,-6.1681529873,-1.855144694,0.2611868579,0.2611868579,GGA,Imma,A2B7CD_oI44_74_ac_ehj_b_d:K-O-Sb-Y,22.0,"Invalid WP multiplicities - A2B7CD_oI44_74_ac_2e2hj_b_d:K-O-Sb-Y, expected K2YSbO10 to be K2YSbO7" +mp-604273,Cu2GeP2(H5O7)2,-6.0160811379,-1.6426691167,0.011357571,0.011357571,GGA,P2_1/c,A2BC10D14E2_mP58_14_e_a_5e_7e_e:Cu-Ge-H-O-P,58.0,"Invalid WP multiplicities - A2BC10D14E2_mP58_14_e_a_19e_25e_e:Cu-Ge-H-O-P, expected Cu2GeP2(H19O25)2 to be Cu2GeP2(H5O7)2" +mp-1202152,Cu3Ge(PO5)2,-6.7247351194,-1.8988513699,0.0087015195,0.0087015195,GGA,P2_1/m,A3BC10D2_mP32_11_af_e_4e3f_2e:Cu-Ge-O-P,32.0,A3BC10D2_mP32_11_af_e_4e3f_2e:Cu-Ge-O-P +mp-1215120,CoSn3F6,-4.166677284,-1.1060865675,1.2066060968,1.2066060968,GGA+U,P-1,AB6C3_aP10_2_a_3i_bcd:Co-F-Sn,10.0,AB6C3_aP10_2_a_3i_bcd:Co-F-Sn +mp-1193842,CoSn(OF)6,-4.5733641875,-0.8400144930000001,0.676163728,0.676163728,GGA+U,P-1,AB6C6D_aP28_2_bc_6i_6i_i:Co-F-O-Sn,28.0,AB6C6D_aP28_2_bc_6i_6i_i:Co-F-O-Sn +mp-561319,CoSnF6,-5.4766573188,-2.6533118869,0.0,-0.0780026762,GGA+U,R-3,AB6C_hR24_148_a_f_b:Co-F-Sn,8.0,AB6C_hR24_148_a_f_b:Co-F-Sn +mp-561571,CoSn2H12(OF)6,-5.2822453692,-1.690053513,0.0,-0.0030229788,GGA+U,P-1,AB6C12D6E2_aP27_2_a_3i_6i_3i_i:Co-F-H-O-Sn,108.0,AB6C12D6E2_aP27_2_a_3i_6i_3i_i:Co-F-H-O-Sn +mp-24003,CoSnH12(OF)6,-5.2616182946,-1.6854795153,0.0185000025,0.0185000025,GGA+U,R-3,AB6C12D6E_hR78_148_a_f_2f_f_b:Co-F-H-O-Sn,26.0,AB6C12D6E_hR78_148_a_f_2f_f_b:Co-F-H-O-Sn +mp-731595,CoSn2(OF)6,-4.9670395613,-1.2152750562,0.6214906570000001,0.6214906570000001,GGA+U,P-1,AB6C6D2_aP15_2_a_3i_3i_i:Co-F-O-Sn,15.0,AB6C6D2_aP15_2_a_3i_3i_i:Co-F-O-Sn +mp-8191,Cs2PtF6,-4.5994060322,-2.4515380468,0.0116257644,-0.3158067283,GGA,P-3m1,A2B6C_hP9_164_d_i_a:Cs-F-Pt,9.0,A2B6C_hP9_164_d_i_a:Cs-F-Pt +mp-9262,Cs2PtF6,-4.6110317967,-2.4631638112,0.0,-0.3274324928,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-F-Pt,9.0,A2B6C_cF36_225_c_e_a:Cs-F-Pt +mp-600193,Cs2PtC2(OF)4,-6.1342267412,-1.9994621439,0.1075739185,0.1075739185,GGA,C2/m,A2B2C4D4E_mC52_12_j_2i_2ij_2j_i:C-Cs-F-O-Pt,26.0,"Invalid WP multiplicities - A2B2C4D4E_mC52_12_j_4i_4i3j_6j_i:C-Cs-F-O-Pt, expected Cs4PtC2(O6F5)2 to be Cs2PtC2(OF)4" +mp-505825,Cs2PtC2,-5.322089306,-0.0582354962,0.0,-0.0383826833,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-Cs-Pt,5.0,A2B2C_hP5_164_c_d_a:C-Cs-Pt +mp-1192352,K3Pr(PO4)2,-7.1485202343,-2.9690761415,0.0,-0.0397019,GGA,P2_1/m,A3B8C2D_mP28_11_3e_4e2f_2e_e:K-O-P-Pr,28.0,A3B8C2D_mP28_11_3e_4e2f_2e_e:K-O-P-Pr +mp-556867,K2PrZr(PO4)3,-7.9420755509,-3.1447294281,0.0091417722,0.0091417722,GGA,P2_13,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Pr-Zr,76.0,"Invalid WP multiplicities - A2B12C3DE_cP76_198_4a_39b_b_a_a:K-O-P-Pr-Zr, expected K4PrZr(PO39)3 to be K2PrZr(PO4)3" +mp-1210300,PrZr6(PO4)9,-8.6804647684,-3.2407027357,0.0016123115,0.0016123115,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Pr-Zr,104.0,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Pr-Zr +mp-1200142,KPr(PO3)4,-7.74285855,-2.9148152576,0.0,-0.0101998117,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Pr,36.0,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Pr +mp-541601,KPr(PO3)4,-7.7417309331,-2.9136876406,0.0011276169,-0.0090721947,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Pr,36.0,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Pr +mp-2223325,MgSb2(O2F)2,-6.0414211889,-2.3227550433,0.1792759564,0.1792759564,GGA,P1,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb +mp-2223070,MgSb2(O2F)2,-6.0384207378,-2.3197545922,0.1822764075,0.1822764075,GGA,P1,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb +mp-2240002,MgSb2(O2F)2,-6.0477766622,-2.3291105167,0.1729204831,0.1729204831,GGA,P1,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-Sb +mp-2218165,MgSb3O7F,-6.2390820475,-2.0286167378,0.2047829223,0.2047829223,GGA,Pm,ABC7D3_mP12_6_a_b_4a3b_3a:F-Mg-O-Sb,12.0,ABC7D3_mP12_6_a_b_4a3b_3a:F-Mg-O-Sb +mp-2218142,MgSb3O7F,-6.2332630558,-2.0227977461,0.210601914,0.210601914,GGA,Amm2,ABC7D3_oC24_38_a_b_b2de_ad:F-Mg-O-Sb,12.0,ABC7D3_oC24_38_a_b_b2de_ad:F-Mg-O-Sb +mp-2224723,MgSbN(OF3)2,-5.5150222573,-2.2942924898,0.1490846443,0.1490846443,GGA,Cmm2,A6BCD2E_oC22_35_d2e_a_a_d_b:F-Mg-N-O-Sb,11.0,A6BCD2E_oC22_35_d2e_a_a_d_b:F-Mg-N-O-Sb +mp-2241253,MgSbN(OF3)2,-5.3208016591,-2.1000718916,0.3433052425,0.3433052425,GGA,Amm2,A6BCD2E_oC22_38_2bf_a_a_2a_b:F-Mg-N-O-Sb,11.0,A6BCD2E_oC22_65_hn_b_a_g_c:F-Mg-N-O-Sb +mp-1200244,SbN6(O3F)3,-5.5645794224,-0.0697054174,0.98902608,0.98902608,GGA,P2_1,A3B6C9D_mP38_4_3a_6a_9a_a:F-N-O-Sb,38.0,A3B6C9D_mP38_4_3a_6a_9a_a:F-N-O-Sb +mp-1078298,SbN(OF3)2,-5.407665772,-2.0248910327,0.0,-0.2092611009,GGA,Cmmm,A6BC2D_oC20_65_gn_c_h_a:F-N-O-Sb,10.0,A6BC2D_oC20_65_gn_c_h_a:F-N-O-Sb +mp-769338,SbN3(O3F)3,-6.0133879081,-1.0513178257,0.1124577537,0.1124577537,GGA,Cmc2_1,A3B3C9D_oC64_36_ab_ab_a4b_a:F-N-O-Sb,32.0,"Invalid WP multiplicities - A3B3C9D_oC64_36_a2b_a2b_a8b_a:F-N-O-Sb, expected SbN5O17F5 to be SbN3(O3F)3" +mp-2210626,MgSbOF3,-5.3477704417,-2.6127026244,0.4028629173,0.4028629173,GGA,Cm,A3BCD_mC12_8_3a_a_a_a:F-Mg-O-Sb,6.0,A3BCD_mC12_8_3a_a_a_a:F-Mg-O-Sb +mp-2225583,MgSbOF3,-5.5771897017,-2.8421218844,0.1734436573,0.1734436573,GGA,Cm,A3BCD_mC12_8_3a_a_a_a:F-Mg-O-Sb,6.0,A3BCD_mC12_8_3a_a_a_a:F-Mg-O-Sb +mp-2227111,MgSbOF3,-5.3656992433,-2.630631426,0.3849341156,0.3849341156,GGA,Immm,A3BCD_oI12_71_ce_a_d_b:F-Mg-O-Sb,6.0,"Invalid WP multiplicities - A3BCD_oI12_71_c2e_a_d_b:F-Mg-O-Sb, expected MgSbOF5 to be MgSbOF3" +mp-690725,TlCuHSO5,-5.7754278378,-1.4727090284,0.0086309421,0.0086309421,GGA,P2_1/m,ABC5DE_mP18_11_a_e_3ef_e_e:Cu-H-O-S-Tl,18.0,ABC5DE_mP18_11_a_e_3ef_e_e:Cu-H-O-S-Tl +mp-24196,Tl2CuH12(SO7)2,-5.5250921237,-1.426261569,0.0,-0.0055498105,GGA,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-S-Tl,62.0,"Invalid WP multiplicities - AB12C14D2E2_mP62_14_a_8e_12e_e_e:Cu-H-O-S-Tl, expected Tl2CuH16(SO12)2 to be Tl2CuH12(SO7)2" +mp-548609,Tl2Cu(SO3)2,-5.6383852727,-1.3858830032,0.1322547215,0.1322547215,GGA,C2/m,AB6C2D2_mC22_12_a_ij_i_i:Cu-O-S-Tl,11.0,"Invalid WP multiplicities - AB6C2D2_mC22_12_a_2i2j_i_i:Cu-O-S-Tl, expected Tl2Cu(SO6)2 to be Tl2Cu(SO3)2" +mp-33319,Pr3NF6,-7.179379133,-3.7645705335,0.057752098,0.057752098,GGA,P1,A6BC3_aP10_1_6a_a_3a:F-N-Pr,10.0,A6BC3_aP10_1_6a_a_3a:F-N-Pr +mp-561257,LiPr2C2N4F3,-7.8302098046,-2.0795029742,0.0,-0.1889177933,GGA,C2/c,A2B3CD4E2_mC48_15_f_ef_e_2f_f:C-F-Li-N-Pr,24.0,"Invalid WP multiplicities - A2B3CD4E2_mC48_15_f_2e2f_e_8f_f:C-F-Li-N-Pr, expected LiPr2C2(N8F3)2 to be LiPr2C2N4F3" +mp-1186927,SbPdO3,-5.742308024,-0.9125181873,0.5066706528,0.5066706528,GGA,Pm-3m,A3BC_cP5_221_c_a_b:O-Pd-Sb,5.0,A3BC_cP5_221_c_a_b:O-Pd-Sb +mp-557661,Sb4PdC4(O2F11)2,-5.6164491798,-2.1750251549,0.1310515358,0.1310515358,GGA,P2_1/c,A4B22C4DE4_mP140_14_4e_22e_4e_e_4e:C-F-O-Pd-Sb,140.0,"Invalid WP multiplicities - A4B22C4DE4_mP140_14_14e_87e_8e_e_13e:C-F-O-Pd-Sb, expected Sb13PdC14O8F87 to be Sb4PdC4(O2F11)2" +mp-1199973,Co4GeP4(H6O11)2,-6.5613797801,-1.8113943557,0.0321352593,0.0321352593,GGA+U,P2_1/c,A4BC12D22E4_mP86_14_2e_a_6e_11e_2e:Co-Ge-H-O-P,86.0,A4BC12D22E4_mP86_14_2e_a_6e_11e_2e:Co-Ge-H-O-P +mp-1194675,HfH8(SO6)2,-6.3807303359,-1.8271580898,0.0,-0.0170333377,GGA,Fddd,A8BC12D2_oF184_70_2h_a_3h_e:H-Hf-O-S,46.0,A8BC12D2_oF184_70_2h_a_3h_e:H-Hf-O-S +mp-1197481,Na2Hf(SO5)3,-6.4438217615,-1.7194446241,0.23533202,0.23533202,GGA,P2_12_12_1,AB2C15D3_oP84_19_a_2a_15a_3a:Hf-Na-O-S,84.0,AB2C15D3_oP84_19_a_2a_15a_3a:Hf-Na-O-S +mp-1180393,Na4Hf(S2O9)2,-6.5016302906,-2.0263159767,0.1000312304,0.1000312304,GGA,C2/c,AB4C18D4_mC108_15_e_2f_9f_2f:Hf-Na-O-S,54.0,"Invalid WP multiplicities - AB4C18D4_mC108_15_e_2f_17f_2f:Hf-Na-O-S, expected Na4Hf(S2O17)2 to be Na4Hf(S2O9)2" +mp-720802,Na6HfH8S5O24,-6.2068407308,-2.0150923773,0.0041663103,0.0041663103,GGA,P2_1,A8BC6D24E5_mP88_4_8a_a_6a_24a_5a:H-Hf-Na-O-S,88.0,A8BC6D24E5_mP88_4_8a_a_6a_24a_5a:H-Hf-Na-O-S +mp-1204628,Na6HfHS5O21,-6.4668513156,-2.1772107536,0.029990919,0.029990919,GGA,P2_1,ABC6D21E5_mP68_4_a_a_6a_21a_5a:H-Hf-Na-O-S,68.0,ABC6D21E5_mP68_4_a_a_6a_21a_5a:H-Hf-Na-O-S +mp-643896,Na2Hf(HO)6,-6.1164336587,-1.9405184484,0.0176277333,0.0176277333,GGA,R-3,A6BC2D6_hR45_148_f_a_c_f:H-Hf-Na-O,15.0,A6BC2D6_hR45_148_f_a_c_f:H-Hf-Na-O +mp-1224128,K3Sn2S3ClO3,-4.5469698125,-1.1762787337,0.5462932069,0.5462932069,GGA,P2_1,AB3C3D3E2_mP24_4_a_3a_3a_3a_2a:Cl-K-O-S-Sn,24.0,"Invalid WP multiplicities - AB3C3D3E2_mP24_4_a_5a_6a_6a_2a:Cl-K-O-S-Sn, expected K5Sn2S6ClO6 to be K3Sn2S3ClO3" +mp-614997,SnS16(Cl2O)2,-4.2658943191,-0.4624032849,0.0465152856,0.0465152856,GGA,P2_1/c,A4B2C16D_mP92_14_4e_2e_16e_e:Cl-O-S-Sn,92.0,"Invalid WP multiplicities - A4B2C16D_mP92_14_10e_6e_61e_e:Cl-O-S-Sn, expected SnS61(Cl5O3)2 to be SnS16(Cl2O)2" +mp-727410,K2SnCl4O,-3.8181608956,-1.4967602581,0.5118179844,0.5118179844,GGA,Pbam,A4B2CD_oP16_55_gh_h_a_c:Cl-K-O-Sn,16.0,A4B2CD_oP16_55_gh_h_a_c:Cl-K-O-Sn +mp-726672,K2SnCl4O,-4.0986647359,-1.7772640984,0.2313141441,0.2313141441,GGA,Pnma,A4B2CD_oP32_62_2cd_d_c_c:Cl-K-O-Sn,32.0,A4B2CD_oP32_62_2cd_d_c_c:Cl-K-O-Sn +mp-42091,K3Sn2S3ClO12,-6.0980698907,-2.0519512552,0.0056008774,0.0056008774,GGA,P2_1,AB3C12D3E2_mP42_4_a_3a_12a_3a_2a:Cl-K-O-S-Sn,42.0,"Invalid WP multiplicities - AB3C12D3E2_mP42_4_a_5a_23a_5a_3a:Cl-K-O-S-Sn, expected K5Sn3S5ClO23 to be K3Sn2S3ClO12" +mp-1211928,KSn4S3ClO12,-5.9694143398,-1.6471839987,0.2465584483,0.2465584483,GGA,P6_3,ABC12D3E4_hP42_173_a_b_4c_c_bc:Cl-K-O-S-Sn,42.0,ABC12D3E4_hP42_173_a_b_4c_c_bc:Cl-K-O-S-Sn +mp-1214051,Ca5P3CO12,-7.41079665,-2.8938044144,0.2447087691,0.2447087691,GGA,P6_3/m,AB5C12D3_hP42_176_a_fh_2hi_h:C-Ca-O-P,42.0,AB5C12D3_hP42_176_a_fh_2hi_h:C-Ca-O-P +mp-1195864,Ca10P6CO27,-7.6935858852,-3.2543796458,0.0,-0.0001057353,GGA,P1,AB10C27D6_aP44_1_a_10a_27a_6a:C-Ca-O-P,44.0,AB10C27D6_aP44_1_a_10a_27a_6a:C-Ca-O-P +mp-771324,Na3CaPCO7,-6.8261878492,-2.5768059463,0.0298008265,0.0163509417,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Ca-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Ca-Na-O-P, expected Na5CaPCO13 to be Na3CaPCO7" +mp-767552,Na3CaPCO7,-6.8559886758,-2.6066067728,0.0,-0.0134498848,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Ca-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Ca-Na-O-P, expected Na4CaPCO13 to be Na3CaPCO7" +mp-556817,K2YbMoPO8,-7.168484021,-2.5844172148,0.0,-0.0017253732,GGA+U,Ibca,A2BC8DE_oI104_73_f_d_4f_c_c:K-Mo-O-P-Yb,,"Invalid WP multiplicities - A2BC8DE_oI104_73_f_d_25f_c_c:K-Mo-O-P-Yb, expected K2YbMoPO50 to be K2YbMoPO8" +mp-654202,Tl4Fe(CN)6,-7.2022072835,0.0514136754,0.1092811509,0.1092811509,GGA,P-1,A6BC6D4_aP34_2_6i_i_6i_4i:C-Fe-N-Tl,34.0,"Invalid WP multiplicities - A6BC6D4_aP34_2_10i_i_9i_7i:C-Fe-N-Tl, expected Tl7FeC10N9 to be Tl4Fe(CN)6" +mp-17436,TlFeC3NO4,-7.1818399905,-0.5176489301,0.6878487129,0.6878487129,GGA+U,P2_13,A3BCD4E_cP40_198_b_a_a_ab_a:C-Fe-N-O-Tl,40.0,A3BCD4E_cP40_198_b_a_a_ab_a:C-Fe-N-O-Tl +mp-654305,Tl2FeC5N6O,-7.366296806,0.2539894091,0.5033467553000001,0.5033467553000001,GGA+U,Cc,A5BC6DE2_mC60_9_5a_a_6a_a_2a:C-Fe-N-O-Tl,30.0,"Invalid WP multiplicities - A5BC6DE2_mC60_9_10a_a_10a_a_2a:C-Fe-N-O-Tl, expected Tl2FeC10N10O to be Tl2FeC5N6O" +mp-1216754,TlCNO,-6.9582113237000005,-0.7395882549,0.0160287866,0.0160287866,GGA,Ima2,ABCD_oI16_46_b_b_b_a:C-N-O-Tl,8.0,ABCD_oI16_46_b_b_b_a:C-N-O-Tl +mp-1207649,YFe3(BO3)4,-8.4730456092,-2.5753272911,0.0109037665,0.0109037665,GGA+U,P3_121,A4B3C12D_hP60_152_2ac_bc_2a5c_b:B-Fe-O-Y,60.0,A4B3C12D_hP60_152_2ac_bc_2a5c_b:B-Fe-O-Y +mp-1207606,YFe3(BO3)4,-8.4720821925,-2.5743638744,0.0118671832,0.0118671832,GGA+U,R32,A4B3C12D_hR60_155_ad_e_2df_b:B-Fe-O-Y,20.0,A4B3C12D_hR60_155_ad_e_2df_b:B-Fe-O-Y +mp-1216150,YFe6Bi(BO3)8,-8.2586667693,-2.4265980007,0.0095720967,0.0095720967,GGA+U,P2,A8BC6D24E_mP40_3_2a2b2e_c_cd2e_2a2b10e_d:B-Bi-Fe-O-Y,40.0,"Invalid WP multiplicities - A8BC6D24E_mP40_3_2a2d4e_b_bc4e_2a2d20e_c:B-Bi-Fe-O-Y, expected YFe10Bi(B3O11)4 to be YFe6Bi(BO3)8" +mp-1190321,Zn3P2Pb3WO14,-6.875658963,-2.1819394308,0.0,-0.0066928944,GGA+U,P321,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Pb-W-Zn,23.0,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Pb-W-Zn +mp-631533,PPbW,-5.4797255067,1.8816344289,2.1276360058,2.1276360058,GGA,F-43m,ABC_cF12_216_a_c_b:P-Pb-W,3.0,ABC_cF12_216_a_c_b:P-Pb-W +mp-1045883,ZnP4WO12,-7.5984325211,-2.3078020544,0.1486056312,0.1486056312,GGA+U,C2/c,A12B4CD_mC72_15_6f_2f_c_e:O-P-W-Zn,36.0,A12B4CD_mC72_15_6f_2f_c_e:O-P-W-Zn +mp-1044100,ZnP2(WO5)2,-8.10006045,-2.2687607036,0.0884712093,0.0884712093,GGA+U,Fdd2,A10B2C2D_oF120_43_5b_b_b_a:O-P-W-Zn,30.0,"Invalid WP multiplicities - A10B2C2D_oF120_43_14b_b_b_a:O-P-W-Zn, expected ZnP2(WO14)2 to be ZnP2(WO5)2" +mp-1040898,ZnP4W3O14,-7.970788978,-2.0143805105,0.3161528564,0.3161528564,GGA+U,P2_1/c,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-W-Zn,44.0,A14B4C3D_mP44_14_7e_2e_ae_b:O-P-W-Zn +mp-1047917,ZnP3W3O13,-8.1767976052,-2.1427478519,0.1832693608,0.1832693608,GGA+U,P2_1/m,A13B3C3D_mP40_11_7e3f_3e_a2e_e:O-P-W-Zn,40.0,"Invalid WP multiplicities - A13B3C3D_mP40_11_12e11f_3e_2a3e_e:O-P-W-Zn, expected ZnP3W5O34 to be ZnP3W3O13" +mp-1347472,ZnP2WO7,-7.5632855905,-2.1386219694,0.2264036401,0.2264036401,GGA+U,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-W-Zn,22.0,A7B2CD_aP22_2_7i_2i_i_i:O-P-W-Zn +mp-1042094,ZnP2WO7,-7.468426815,-2.0437631939,0.3212624155,0.3212624155,GGA+U,P-1,A7B2CD_aP22_2_7i_2i_i_i:O-P-W-Zn,22.0,"Invalid WP multiplicities - A7B2CD_aP22_2_8i_2i_i_i:O-P-W-Zn, expected ZnP2WO8 to be ZnP2WO7" +mp-1041044,ZnP2W2O9,-8.0407639359,-2.146277687,0.1610227853,0.1610227853,GGA+U,Pnma,A9B2C2D_oP56_62_5c2d_2c_ac_c:O-P-W-Zn,56.0,"Invalid WP multiplicities - A9B2C2D_oP56_62_7c2d_2c_ac_c:O-P-W-Zn, expected ZnP2W2O11 to be ZnP2W2O9" +mp-6813,KCa10(PO4)7,-7.5899266749,-3.2949962573,0.0,-0.0137688424,GGA,R3c,A10BC28D7_hR276_161_a3b_a_a9b_a2b:Ca-K-O-P,92.0,"Invalid WP multiplicities - A10BC28D7_hR276_161_a3b_a_a12b_a2b:Ca-K-O-P, expected KCa10P7O37 to be KCa10(PO4)7" +mp-1223725,KCa2(P2O9)2,-6.5799142368,-1.9473060154,0.3817273645,0.3817273645,GGA,P1,A2BC18D4_aP25_1_2a_a_18a_4a:Ca-K-O-P,25.0,A2BC18D4_aP25_1_2a_a_18a_4a:Ca-K-O-P +mp-1106014,KCaPO5,-6.61932282,-2.4614797088,0.1954705441,0.1954705441,GGA,C2/m,ABC5D_mC32_12_g_h_3ij_i:Ca-K-O-P,16.0,ABC5D_mC32_12_g_h_3ij_i:Ca-K-O-P +mp-555914,K2CaP2O7,-7.0751459433,-2.9351606295,0.0,-0.0380860231,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Ca-K-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_5e_26e_3e:Ca-K-O-P, expected K5CaP3O26 to be K2CaP2O7" +mp-562437,KCa9Co(PO4)7,-7.5632210373,-3.1573619694,0.0273552287,0.0273552287,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Co-K-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_13b_a_a_2a48b_2a7b:Ca-Co-K-O-P, expected KCa39CoP23O146 to be KCa9Co(PO4)7" +mp-1104232,K3Ca(PO4)2,-6.7288338229,-2.747625864,0.0,-0.0045451363,GGA,C2/m,AB3C8D2_mC28_12_a_ci_2ij_i:Ca-K-O-P,14.0,AB3C8D2_mC28_12_a_di_2ij_i:Ca-K-O-P +mp-11625,KCa(PO3)3,-7.4586884607,-2.8961095501000003,0.0,-0.023968561,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Ca-K-O-P,28.0,"Invalid WP multiplicities - ABC9D3_hP28_188_a_c_k2l_k:Ca-K-O-P, expected KCa(PO5)3 to be KCa(PO3)3" +mp-1224557,KCaPO4,-6.28313991,-2.2379890273,0.7985255474,0.7985255474,GGA,C2/m,ABC4D_mC28_12_i_ac_2ij_i:Ca-K-O-P,14.0,"Invalid WP multiplicities - ABC4D_mC28_12_i_ac_3i2j_i:Ca-K-O-P, expected KCaPO7 to be KCaPO4" +mp-1517517,BaCaYVO6,-8.005013071,-3.0895046439,0.1951186927,0.1951186927,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-V-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-V-Y +mp-756584,Na3CrBPO7,-7.1991647846,-2.557615661,0.014073491,0.014073491,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Na-O-P +mp-780628,Na6Cr2B4PO16,-7.17459457,-2.3980726503,0.1023735479,0.1023735479,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Cr-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:B-Cr-Na-O-P, expected Na6Cr2B4PO20 to be Na6Cr2B4PO16" +mp-1219578,RbSO3F,-5.9087448071,-2.263989967,0.0,-0.1011097542,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:F-O-Rb-S,24.0,AB3CD_oP24_62_c_cd_c_c:F-O-Rb-S +mp-1189161,Rb2MnOF5,-5.2659246744,-2.418461676,0.2301443843,0.2301443843,GGA+U,Cmcm,A5BCD2_oC36_63_cef_a_c_g:F-Mn-O-Rb,18.0,A5BCD2_oC36_63_cef_a_c_g:F-Mn-O-Rb +mp-19488,Rb2MnSO4F3,-6.2210531945,-2.5137145535,0.0,-0.0343160331,GGA+U,P2_1/c,A3BC4D2E_mP44_14_3e_ab_4e_2e_e:F-Mn-O-Rb-S,44.0,A3BC4D2E_mP44_14_3e_ad_4e_2e_e:F-Mn-O-Rb-S +mp-557001,RbSO4F,-5.60851035,-1.7777649569,0.162797872,0.162797872,GGA,P-1,AB4CD_aP14_2_i_4i_i_i:F-O-Rb-S,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_7i_i_i:F-O-Rb-S, expected RbSO7F to be RbSO4F" +mp-12436,Rb2Mn2(SO4)3,-6.9935229049,-2.1485380172,0.0,-0.021908913,GGA+U,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Mn-O-Rb-S,76.0,"Invalid WP multiplicities - A2B12C2D3_cP76_198_2a_8b_2a_b:Mn-O-Rb-S, expected Rb2Mn2(SO8)3 to be Rb2Mn2(SO4)3" +mp-6384,RbSO2F,-5.572555417,-2.1881873511,0.011755233,0.011755233,GGA,P2_1/m,AB2CD_mP10_11_e_f_e_e:F-O-Rb-S,10.0,AB2CD_mP10_11_e_f_e_e:F-O-Rb-S +mp-2229225,MgTi2P2(HO5)2,-7.6609882365,-2.6921524542,0.0876628718,0.0876628718,GGA,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Ti,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-Ti +mp-644281,Mg7TiH16,-3.30330529,-0.2457607447,0.0872212583,0.0872212583,GGA,Fm-3m,A16B7C_cF96_225_2f_ad_b:H-Mg-Ti,24.0,A16B7C_cF96_225_2f_ad_b:H-Mg-Ti +mp-1191885,MgTi7H16,-5.1823433304,-0.5509957935,0.0134222879,0.0134222879,GGA,Fm-3m,A16BC7_cF96_225_2f_a_bd:H-Mg-Ti,24.0,A16BC7_cF96_225_2f_a_bd:H-Mg-Ti +mp-1101820,MgTi3H8,-4.8723590933,-0.503312055,0.0225333467,0.0225333467,GGA,Pm-3m,A8BC3_cP12_221_g_a_c:H-Mg-Ti,12.0,A8BC3_cP12_221_g_a_c:H-Mg-Ti +mp-1191852,Mg6TiH16,-3.3111227987,-0.1902189275,0.1188393378,0.1188393378,GGA,Fm-3m,A16B6C_cF92_225_2f_d_a:H-Mg-Ti,23.0,A16B6C_cF92_225_2f_d_a:H-Mg-Ti +mp-703342,Ti2P2H4O11,-7.5034963024,-2.5244400366,0.0054353696,0.0054353696,GGA,P-1,A4B11C2D2_aP38_2_4i_11i_2i_2i:H-O-P-Ti,38.0,A4B11C2D2_aP38_2_4i_11i_2i_2i:H-O-P-Ti +mp-1101846,Mg3TiH8,-3.5998359025,-0.2799908586,0.0915638242,0.0915638242,GGA,Pm-3m,A8B3C_cP12_221_g_c_a:H-Mg-Ti,12.0,A8B3C_cP12_221_g_c_a:H-Mg-Ti +mp-1195807,TiP2(HO4)2,-7.5777522025,-2.5715169094,0.0034159521,0.0034159521,GGA,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:H-O-P-Ti,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:H-O-P-Ti +mp-707483,TiP2H4O9,-7.1335557295,-2.3327307538,0.0,-0.00042535,GGA,P2_1/c,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Ti,64.0,A4B9C2D_mP64_14_4e_9e_2e_e:H-O-P-Ti +mp-1197096,TiP2H2O9,-7.2509848193,-2.2490028535,0.1420062322,0.1420062322,GGA,P2_1,A2B9C2D_mP56_4_4a_18a_4a_2a:H-O-P-Ti,56.0,A2B9C2D_mP56_4_4a_18a_4a_2a:H-O-P-Ti +mp-1234328,MgTi6(H2O7)2,-8.064609614,-2.7926984825,0.1390175861,0.1390175861,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-1234627,MgTi6(H2O7)2,-8.1146411892,-2.8427300577,0.0889860109,0.0889860109,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-2216946,MgTi6(H2O7)2,-8.0687034708,-2.7967923393,0.1349237293,0.1349237293,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-2216890,MgTi6(H2O7)2,-8.0794172092,-2.8075060777000003,0.1242099909,0.1242099909,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-2217041,MgTi6(H2O7)2,-8.0979296008,-2.8260184693,0.1056975993,0.1056975993,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-2216850,MgTi6(H2O7)2,-8.0680874544,-2.7961763229,0.1355397457,0.1355397457,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-2216788,MgTi6(H2O7)2,-8.1155025604,-2.8435914289,0.0881246397,0.0881246397,GGA,P1,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti,25.0,A4BC14D6_aP25_1_4a_a_14a_6a:H-Mg-O-Ti +mp-1077185,MgTiH4,-4.2315316,-0.3870855589,0.0616144833,0.0616144833,GGA,P4/mmm,A4BC_tP6_123_i_a_d:H-Mg-Ti,6.0,A4BC_tP6_123_i_a_d:H-Mg-Ti +mp-754297,TiPHO5,-7.919405645,-2.7400351294,0.0238067866,0.0141208813,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Ti,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Ti, expected TiPHO9 to be TiPHO5" +mp-786793,TiPHO5,-4.6164694244,0.5629010912,3.3267430072,3.3170571019,GGA,P-1,AB5CD_aP16_2_i_5i_i_be:H-O-P-Ti,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_be:H-O-P-Ti, expected TiPHO9 to be TiPHO5" +mp-1395186,TiPHO5,-5.0834585194,0.0959119962,2.8597539122,2.8500680069,GGA,P-1,AB5CD_aP16_2_i_5i_i_ab:H-O-P-Ti,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_ab:H-O-P-Ti, expected TiPHO9 to be TiPHO5" +mp-554704,TiPHO5,-7.9432124316,-2.763841916,0.0,-0.0096859053,GGA,P2_1,AB5CD_mP32_4_2a_10a_2a_2a:H-O-P-Ti,32.0,"Invalid WP multiplicities - AB5CD_mP32_4_2a_19a_2a_3a:H-O-P-Ti, expected Ti3P2H2O19 to be TiPHO5" +mp-984604,TiPHO5,-7.9414590784,-2.7620885629,0.0017533531,-0.0079325522,GGA,P2_1,AB5CD_mP32_4_2a_10a_2a_2a:H-O-P-Ti,32.0,AB5CD_mP32_4_2a_10a_2a_2a:H-O-P-Ti +mp-1197551,Te4N4ClOF20,-4.0935763788,-1.0621094457,0.9256718703,0.9256718703,GGA,P-42_1c,AB20C4DE4_tP60_114_a_5e_e_b_e:Cl-F-N-O-Te,60.0,AB20C4DE4_tP60_114_a_5e_e_b_e:Cl-F-N-O-Te +mp-556500,NClOF4,-4.1846145221,-0.9306664984,0.0,-0.024532953,GGA,I4cm,AB4CD_tI28_108_b_2c_a_a:Cl-F-N-O,14.0,"Invalid WP multiplicities - AB4CD_tI28_108_b_8c_a_a:Cl-F-N-O, expected NClOF16 to be NClOF4" +mp-601344,LiZr3H18N4F19,-5.7533863972,-2.2359380939,0.0,-0.0166718319,GGA,P2_1/c,A19B18CD4E3_mP180_14_19e_18e_e_4e_3e:F-H-Li-N-Zr,180.0,"Invalid WP multiplicities - A19B18CD4E3_mP180_14_73e_72e_e_16e_8e:F-H-Li-N-Zr, expected LiZr8H72N16F73 to be LiZr3H18N4F19" +mp-1213402,FeBP2O11,-6.9577212889,-1.5984150344,0.4419146934,0.4419146934,GGA+U,P6_122,ABC11D2_hP90_178_b_b_b5c_c:B-Fe-O-P,90.0,ABC11D2_hP90_178_b_b_b5c_c:B-Fe-O-P +mp-777716,Li2FeBPO7,-7.0995565225,-2.1822746725,0.2619073217,0.2619073217,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Fe-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Fe-Li-O-P, expected Li2FeBPO13 to be Li2FeBPO7" +mp-756319,Li3FeBPO7,-7.0217526435,-2.335883023,0.2341282632,0.2341282632,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Fe-Li-O-P, expected Li4FeBPO13 to be Li3FeBPO7" +mp-1197728,Fe2B(PO4)3,-7.9899177939,-2.4777174469,0.00100124,0.00100124,GGA+U,P6_3/m,AB2C12D3_hP36_176_a_f_2hi_h:B-Fe-O-P,36.0,AB2C12D3_hP36_176_a_f_2hi_h:B-Fe-O-P +mp-1197381,AsH10C3I,-4.6812953947,-0.1649126158,0.0932368111,0.0932368111,GGA,Pnma,AB3C10D_oP60_62_c_cd_2c4d_c:As-C-H-I,60.0,AB3C10D_oP60_62_c_cd_2c4d_c:As-C-H-I +mp-1196537,FeAs2H18(C2I)3,-4.8241586827,-0.2025113882,0.0712293132,0.0712293132,GGA,Pnma,A2B6CD18E3_oP120_62_2c_2c2d_c_2c8d_cd:As-C-Fe-H-I,120.0,A2B6CD18E3_oP120_62_2c_2c2d_c_2c8d_cd:As-C-Fe-H-I +mp-707477,AsH12C4I3,-4.5645035747,-0.2291739765,0.0654859722,0.0654859722,GGA,P4_2/m,AB4C12D3_tP200_84_ek_5k_15k_b5jk:As-C-H-I,200.0,AB4C12D3_tP200_84_ek_5k_15k_b5jk:As-C-H-I +mp-1224648,H2PtPbI6O19,-5.0423694621,-0.9252482175,0.0059612058,0.0059612058,GGA,P1,A2B6C19DE_aP29_1_2a_6a_19a_a_a:H-I-O-Pb-Pt,29.0,A2B6C19DE_aP29_1_2a_6a_19a_a_a:H-I-O-Pb-Pt +mp-1004524,HPbI3,-2.297984102,0.007110331,0.6608972572,0.6608972572,GGA,Pm-3m,AB3C_cP5_221_a_c_b:H-I-Pb,5.0,AB3C_cP5_221_a_c_b:H-I-Pb +mp-1102812,HPb2IO2,-4.9624118983,-1.2649512387,0.0571990037,0.0571990037,GGA,C2/m,ABC2D2_mC24_12_i_i_2i_2i:H-I-O-Pb,12.0,ABC2D2_mC24_12_i_i_2i_2i:H-I-O-Pb +mp-697084,HPbIO,-4.6099817556,-1.2286247116,0.0,-0.0013076634,GGA,Pnma,ABCD_oP16_62_c_c_c_c:H-I-O-Pb,16.0,ABCD_oP16_62_c_c_c_c:H-I-O-Pb +mp-1211168,Li4Be3P3IO12,-6.9805556535,-2.8097961549,0.0,-0.096964473,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-I-Li-O-P,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Be-I-Li-O-P +mp-570886,BeI2,-3.0920937233,-0.8633785350000001,0.0,-0.8633785350000001,GGA,Ibam,AB2_oI12_72_a_j:Be-I,6.0,AB2_oI12_72_a_j:Be-I +mp-30140,BeI2,-3.0882546785,-0.8595394902,0.0038390448,-0.8595394902,GGA,I4_1/acd,AB2_tI96_142_g_deg:Be-I,48.0,AB2_tI96_142_g_deg:Be-I +mp-667318,K3Ce2(NO3)9,-6.9125129887,-1.4543075087,0.0314847029,0.0314847029,GGA,P4_132,A2B3C9D27_cP164_213_c_d_de_d4e:Ce-K-N-O,164.0,"Invalid WP multiplicities - A2B3C9D27_cP164_213_c_d_11d11e_9d77e:Ce-K-N-O, expected K3Ce2(N33O163)3 to be K3Ce2(NO3)9" +mp-561127,K2Ce(NO3)6,-6.8377041326,-1.385361414,0.0013387883,-0.0652920911,GGA,P2_1/c,AB2C6D18_mP54_14_a_e_3e_9e:Ce-K-N-O,54.0,"Invalid WP multiplicities - AB2C6D18_mP54_14_a_e_10e_31e:Ce-K-N-O, expected K2Ce(N10O31)2 to be K2Ce(NO3)6" +mp-558886,K2Ce(NO3)6,-6.8390429209,-1.3867002023,0.0,-0.0666308794,GGA,P-3,AB2C6D18_hP81_147_ad_g_3g_9g:Ce-K-N-O,81.0,"Invalid WP multiplicities - AB2C6D18_hP81_147_ad_g_14g_50g:Ce-K-N-O, expected K2Ce(N7O25)4 to be K2Ce(NO3)6" +mp-683928,K5CeCu2(NO2)12,-6.4898910774,-1.0707555001,0.2232717245,0.2232717245,GGA,Pn-3,AB2C5D12E24_cP88_201_a_b_cd_h_2h:Ce-Cu-K-N-O,88.0,"Invalid WP multiplicities - AB2C5D12E24_cP88_201_a_b_3c3d_h_26h:Ce-Cu-K-N-O, expected K15CeCu2(NO26)12 to be K5CeCu2(NO2)12" +mp-780859,Ti3V2Ni(PO4)6,-8.3404783311,-2.8172903039,0.0220444318,0.0220444318,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Ni-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Ni-O-P-Ti-V, expected Ti3V2Ni(PO10)6 to be Ti3V2Ni(PO4)6" +mp-1101293,Ti3VNi2(PO4)6,-8.1796414081,-2.7482247528,0.0282614674,0.0282614674,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Ni-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Ni-O-P-Ti-V, expected Ti3VNi2(PO10)6 to be Ti3VNi2(PO4)6" +mp-1201360,Ba4MgC4(N4F)2,-7.5767355239,-1.4343271495,0.0068331418,0.0068331418,GGA,P2_1/c,A4B4C2DE8_mP38_14_2e_2e_e_a_4e:Ba-C-F-Mg-N,38.0,A4B4C2DE8_mP38_14_2e_2e_e_a_4e:Ba-C-F-Mg-N +mp-734771,PrP2(HO)7,-6.2186759428,-1.8667104097,0.0423660821,0.0423660821,GGA,P2_12_12_1,A7B7C2D_oP68_19_7a_7a_2a_a:H-O-P-Pr,68.0,A7B7C2D_oP68_19_7a_7a_2a_a:H-O-P-Pr +mp-722780,Pr2P3(HO2)5,-7.0878094423,-2.4761976239,0.0,-0.0233305594,GGA,P2_1/c,A5B10C3D2_mP80_14_5e_10e_3e_2e:H-O-P-Pr,80.0,A5B10C3D2_mP80_14_5e_10e_3e_2e:H-O-P-Pr +mp-556063,PrP3(HO2)6,-6.8441540341,-2.2651797577,0.04283059,0.04283059,GGA,P-6,A6B12C3D_hP22_174_l_jkl_j_b:H-O-P-Pr,22.0,"Invalid WP multiplicities - A6B12C3D_hP22_174_l_2j3k4l_k_a:H-O-P-Pr, expected PrP3(H2O13)3 to be PrP3(HO2)6" +mp-601292,RbPrP3HO10,-7.4834929031,-2.8046828716,0.0350684437,0.0211513544,GGA,P-1,AB10C3DE_aP32_2_i_10i_3i_i_i:H-O-P-Pr-Rb,32.0,"Invalid WP multiplicities - AB10C3DE_aP32_2_i_19i_5i_i_i:H-O-P-Pr-Rb, expected RbPrP5HO19 to be RbPrP3HO10" +mp-1186971,RbPrP3HO10,-7.5185613469,-2.8397513153,0.0,-0.0139170893,GGA,P-1,AB10C3DE_aP32_2_i_10i_3i_i_i:H-O-P-Pr-Rb,32.0,AB10C3DE_aP32_2_i_10i_3i_i_i:H-O-P-Pr-Rb +mp-1200072,PrP3(H5O7)2,-6.4900667829,-2.0542912228,0.0338713405,0.0338713405,GGA,P-1,A10B14C3D_aP56_2_10i_14i_3i_i:H-O-P-Pr,56.0,A10B14C3D_aP56_2_10i_14i_3i_i:H-O-P-Pr +mp-672113,K2VCuS4,-5.2533343938,-1.2596206311,0.01037971,-0.0119446125,GGA,P-1,AB2C4D_aP16_2_i_2i_4i_i:Cu-K-S-V,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Cu-K-S-V +mp-15147,K2VCuS4,-5.2637141037,-1.2700003411,0.0,-0.0223243225,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Cu-K-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Cu-K-S-V +mp-2229258,K2MgV2(CuS2)4,-5.2044764218,-0.9999284395,0.1188027862,0.1188027862,GGA,Pm,A4B2CD8E2_mP17_6_abc_ab_a_2a2b2c_ab:Cu-K-Mg-S-V,17.0,"Invalid WP multiplicities - A4B2CD8E2_mP17_6_abc_ab_a_2a2b4c_ab:Cu-K-Mg-S-V, expected K2MgV2(CuS3)4 to be K2MgV2(CuS2)4" +mp-2229176,K4MgV2(CuS4)2,-5.0433963165,-1.1904727722,0.0996582963,0.0996582963,GGA,P1,A2B4CD8E2_aP17_1_2a_4a_a_8a_2a:Cu-K-Mg-S-V,17.0,A2B4CD8E2_aP17_1_2a_4a_a_8a_2a:Cu-K-Mg-S-V +mp-2229594,K4MgV2(CuS4)2,-5.0447619424,-1.1918383981,0.0982926704,0.0982926704,GGA,C2,A2B4CD8E2_mC34_5_ab_2a2b_a_4c_ab:Cu-K-Mg-S-V,17.0,"Invalid WP multiplicities - A2B4CD8E2_mC34_5_ab_2a2b_a_6c_ab:Cu-K-Mg-S-V, expected K4MgV2(CuS6)2 to be K4MgV2(CuS4)2" +mp-1212584,K2VCuS2,-4.3430117183,-0.396876657,0.6309943865000001,0.6309943865000001,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Cu-K-S-V,24.0,AB2C2D_oF96_70_c_h_h_d:Cu-K-S-V +mp-6376,KV(CuS2)2,-5.4388411094,-1.0715263813,0.0,-0.0081487394,GGA,Ama2,A2BC4D_oC32_40_ab_b_2bc_b:Cu-K-S-V,16.0,"Invalid WP multiplicities - A2BC4D_oC32_40_ab_b_2b2c_b:Cu-K-S-V, expected KV(CuS3)2 to be KV(CuS2)2" +mp-1029869,K15Mo7N19,-6.6935860461,-0.5723924229,0.0,-0.111810424,GGA,P-1,A15B7C19_aP82_2_bd14i_7i_19i:K-Mo-N,82.0,A15B7C19_aP82_2_bd14i_7i_19i:K-Mo-N +mp-1245841,K6MoN4,-4.7962253377,-0.173132293,0.1967660186,0.1967660186,GGA,P4_2/nmc,A6BC4_tP22_137_df_a_g:K-Mo-N,22.0,A6BC4_tP22_137_df_a_g:K-Mo-N +mp-1029815,KMoN2,-7.7321976408,-0.574937914,0.0,-0.0237601915,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:K-Mo-N,64.0,ABC2_oP64_61_2c_2c_4c:K-Mo-N +mp-1211951,K3Mo3C3(Se2N)2,-6.9279840003,-0.6472653731,0.1090061475,0.1090061475,GGA,I4/m,A3B3C3D2E4_tI60_87_eh_dh_eh_h_i:C-K-Mo-N-Se,30.0,A3B3C3D2E4_tI60_87_eh_dh_eh_h_i:C-K-Mo-N-Se +mp-1224269,K6Mo6C5Se8N5,-6.9987899773,-0.7478103690000001,0.0194740143,0.0194740143,GGA,I4,A5B6C6D5E8_tI60_79_ac_bc_2ac_ac_2c:C-K-Mo-N-Se,30.0,A5B6C6D5E8_tI60_79_ac_bc_2ac_ac_2c:C-K-Mo-N-Se +mp-1195606,K2Zn3(SeO3)4,-5.411023131,-1.6327403134,0.0,-0.0289284682,GGA,C2/c,A2B12C4D3_mC84_15_f_6f_2f_ef:K-O-Se-Zn,42.0,A2B12C4D3_mC84_15_f_6f_2f_ef:K-O-Se-Zn +mp-1104031,K2Zn(SeO5)2,-5.1477962227,-1.1518461179,0.2354718357,0.2354718357,GGA,P-1,A2B10C2D_aP15_2_i_5i_i_a:K-O-Se-Zn,15.0,A2B10C2D_aP15_2_i_5i_i_a:K-O-Se-Zn +mp-1197205,K2ZnH12(SeO7)2,-5.3127746148,-1.4276546485,0.0,-0.0063400306,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-Se-Zn,62.0,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-Se-Zn +mp-631581,Ag2BBr,-2.5316147425,0.9427682844,1.2809010885,1.2809010885,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-B-Br,4.0,A2BC_cF16_225_c_a_b:Ag-B-Br +mp-703539,AgB11H6CBr6,-5.1195693396,-0.5112070506,0.0,-0.0902088736,GGA,Pnma,AB11C6DE6_oP100_62_a_3c4d_2c2d_c_2c2d:Ag-B-Br-C-H,100.0,AB11C6DE6_oP100_62_a_3c4d_2c2d_c_2c2d:Ag-B-Br-C-H +mp-1197405,Ca3GeH12S2O17,-6.0695570489,-1.9632956814,0.0044186563,0.0044186563,GGA,P6_3/mmc,A3BC12D17E2_hP70_194_h_a_2k_fh2k_f:Ca-Ge-H-O-S,70.0,A3BC12D17E2_hP70_194_h_a_2k_fh2k_f:Ca-Ge-H-O-S +mp-2714009,CaGe(SO4)3,-6.6747546222,-2.0630933356,0.0231910734,0.0231910734,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Ca-Ge-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Ca-Ge-O-S, expected CaGe(SO12)3 to be CaGe(SO4)3" +mp-1208072,YbCoC6N6O5,-6.8138274358,0.4899795187,1.5266852153,1.5266852153,GGA+U,P6_3/m,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Yb,,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Yb +mp-1067743,YbCoC2,-6.9711465575,-0.1948322925,0.0,-0.1110026783,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Yb,,A2BC_oC8_38_d_a_b:C-Co-Yb +mp-707055,Na2GeH12S2O7,-5.0990908776,-1.3124028903,0.0093914524,0.0093914524,GGA,Pbcn,AB12C2D7E2_oP192_60_d_12d_acd_2c6d_2d:Ge-H-Na-O-S,192.0,AB12C2D7E2_oP192_60_d_12d_acd_2c6d_2d:Ge-H-Na-O-S +mp-1180426,Na2GeS3O7,-4.7920255988000005,-0.6147756741,1.2666720109,1.2666720109,GGA,P-1,AB2C7D3_aP26_2_i_2i_7i_3i:Ge-Na-O-S,26.0,AB2C7D3_aP26_2_i_2i_7i_3i:Ge-Na-O-S +mp-1193033,Na2GeS3O7,-5.1414486627,-0.964198738,0.917248947,0.917248947,GGA,P-1,AB2C7D3_aP26_2_i_2i_7i_3i:Ge-Na-O-S,26.0,AB2C7D3_aP26_2_i_2i_7i_3i:Ge-Na-O-S +mp-1210879,Na2GeH14S3O7,-4.996175903,-1.2257161381,0.0139608577,0.0139608577,GGA,P-1,AB14C2D7E3_aP54_2_i_14i_2i_7i_3i:Ge-H-Na-O-S,54.0,AB14C2D7E3_aP54_2_i_14i_2i_7i_3i:Ge-H-Na-O-S +mp-1020145,Na2Ge(S2O7)3,-6.3921658727,-1.8599245201,0.0,-0.054491349,GGA,P2_12_12_1,AB2C21D6_oP120_19_a_2a_21a_6a:Ge-Na-O-S,120.0,AB2C21D6_oP120_19_a_2a_21a_6a:Ge-Na-O-S +mp-767521,Na2InPCO7,-6.8711846475,-2.3157243729,0.0,-0.0205285706,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-In-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-In-Na-O-P, expected Na2InPCO13 to be Na2InPCO7" +mp-1210790,NaIn(C2O5)2,-6.8966924469,-1.2432075653,0.6201196396,0.6201196396,GGA,P6_222,A4BCD10_hP48_180_2i_d_b_g2k:C-In-Na-O,48.0,A4BCD10_hP48_180_2i_d_b_g2k:C-In-Na-O +mp-1197248,NaB24S6(Br2O)12,-4.9974097153,-0.7723414847000001,0.7045417668,0.7045417668,GGA,P-31c,A24B24CD12E6_hP134_163_4i_4i_c_2i_i:B-Br-Na-O-S,134.0,A24B24CD12E6_hP134_163_4i_4i_c_2i_i:B-Br-Na-O-S +mp-1196084,NaB6S4(Br3O4)2,-5.4955590922,-1.22210489,0.6149454276,0.6149454276,GGA,P2_1/c,A6B6CD8E4_mP100_14_6e_6e_e_8e_4e:B-Br-Na-O-S,100.0,A6B6CD8E4_mP100_14_6e_6e_e_8e_4e:B-Br-Na-O-S +mp-1213684,CsCr(SO4)2,-6.9672243733,-2.1009861012,0.0,-0.0136025227,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Cr-Cs-O-S,24.0,ABC8D2_hP12_150_a_b_dg_d:Cr-Cs-O-S +mp-849663,CsCrH24(SO10)2,-5.6377689778,-1.4881742095,0.0023018064,0.0023018064,GGA+U,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cr-Cs-H-O-S,192.0,"Invalid WP multiplicities - ABC24D20E2_cP192_205_a_b_41d_2c31d_c:Cr-Cs-H-O-S, expected CsCrH246(SO95)2 to be CsCrH24(SO10)2" +mp-866693,La3CrW(SO2)3,-8.4379248079,-2.7587333162,0.097929637,0.097929637,GGA+U,P6_3/m,AB3C6D3E_hP28_176_b_h_i_h_c:Cr-La-O-S-W,28.0,AB3C6D3E_hP28_176_b_h_i_h_c:Cr-La-O-S-W +mp-18885,LaCrS2O,-7.8125111405,-2.2507825365,0.025718097,0.025718097,GGA+U,Pnma,ABCD2_oP20_62_c_c_c_2c:Cr-La-O-S,20.0,ABCD2_oP20_62_c_c_c_2c:Cr-La-O-S +mp-744084,MnAgH8(OF)4,-5.299886945,-1.6016063689000002,0.0113614601,0.0113614601,GGA+U,P2_1/m,AB4C8DE4_mP36_11_e_2f_4f_e_2ef:Ag-F-H-Mn-O,36.0,AB4C8DE4_mP36_11_e_2f_4f_e_2ef:Ag-F-H-Mn-O +mp-706405,CdP2(HO2)4,-5.3635972358,-1.0373366596,0.9577718671,0.9577718671,GGA,R-3,AB4C8D2_hR270_148_f_4f_8f_2f:Cd-H-O-P,90.0,AB4C8D2_hR270_148_f_4f_8f_2f:Cd-H-O-P +mp-1238387,CdP2(HO2)4,-6.2987996324,-1.9725390562,0.0225694704,0.0225694704,GGA,R-3,AB4C8D2_hR270_148_f_4f_8f_2f:Cd-H-O-P,90.0,AB4C8D2_hR270_148_f_4f_8f_2f:Cd-H-O-P +mp-24407,CdP2H6O7,-5.8110078762,-1.6402158749,0.0216498707,0.0216498707,GGA,P-1,AB6C7D2_aP32_2_i_6i_7i_2i:Cd-H-O-P,32.0,"Invalid WP multiplicities - AB6C7D2_aP32_2_i_6i_9i_2i:Cd-H-O-P, expected CdP2(H2O3)3 to be CdP2H6O7" +mp-24316,CdP2(HO)4,-5.4809351309,-1.3802847856,0.0197563661,0.0197563661,GGA,C2/c,AB4C4D2_mC44_15_e_2f_2f_f:Cd-H-O-P,22.0,"Invalid WP multiplicities - AB4C4D2_mC44_15_e_2f_3f_f:Cd-H-O-P, expected CdP2(H2O3)2 to be CdP2(HO)4" +mp-1204110,CdPHO3,-5.9781073331000005,-1.8832765922,0.0,-0.0122225773,GGA,R-3,ABC3D_hR108_148_f_f_3f_f:Cd-H-O-P,36.0,ABC3D_hR108_148_f_f_3f_f:Cd-H-O-P +mp-1199629,Ba2CdP4(H3O8)2,-6.7387859447,-2.3968057613,0.0,-0.0004726516,GGA,P2_1/c,A2BC6D16E4_mP58_14_e_a_3e_8e_2e:Ba-Cd-H-O-P,58.0,A2BC6D16E4_mP58_14_e_a_3e_8e_2e:Ba-Cd-H-O-P +mp-1188260,Ba2CdP3O11,-7.25432341,-2.8181867639,0.0348321252,0.0348321252,GGA,Cm,A2BC11D3_mC34_8_2a_a_5a3b_3a:Ba-Cd-O-P,17.0,A2BC11D3_mC34_8_2a_a_5a3b_3a:Ba-Cd-O-P +mp-6695,BaCdP2O7,-7.1875345868,-2.7970536148000003,0.0,-0.0106587152,GGA,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cd-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ba-Cd-O-P +mp-540736,BaCd(PO3)4,-7.3793216964,-2.7206917374,0.0,-0.0088782509,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ba-Cd-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Ba-Cd-O-P +mp-1197015,CdP2(H4O5)2,-6.0065448302,-1.7990119614000002,0.0,-0.0095416171,GGA,P2_1/c,AB8C10D2_mP42_14_a_4e_5e_e:Cd-H-O-P,42.0,AB8C10D2_mP42_14_a_4e_5e_e:Cd-H-O-P +mp-728764,CuPPb2SO9,-6.5858022468,-1.9004842764,0.0032471501,0.0032471501,GGA,P2_1/m,AB9CD2E_mP28_11_a_5e2f_e_2e_e:Cu-O-P-Pb-S,28.0,AB9CD2E_mP28_11_a_5e2f_e_2e_e:Cu-O-P-Pb-S +mp-1220066,P2Pb4SO12,-6.9027111637,-2.2093476008,0.0,-0.0214041508,GGA,I-42d,A12B2C4D_tI76_122_3e_d_e_a:O-P-Pb-S,38.0,"Invalid WP multiplicities - A12B2C4D_tI76_122_4e_d_e_a:O-P-Pb-S, expected P2Pb4SO16 to be P2Pb4SO12" +mp-1211699,K2RbLuV2O8,-7.4300099464,-2.7540382095,0.0,-0.0314171101,GGA+U,P-3m1,A2BC8DE2_hP14_164_d_a_di_b_d:K-Lu-O-Rb-V,14.0,A2BC8DE2_hP14_164_d_a_di_b_d:K-Lu-O-Rb-V +mp-1209398,Rb3LuV2O8,-7.3920716814,-2.7346520695,0.0,-0.0274041161,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Lu-O-Rb-V,14.0,AB8C3D2_hP14_164_a_di_bd_d:Lu-O-Rb-V +mp-1193290,KNiPO10,-5.4343262581000005,-0.6827320084,0.5668185312,0.5668185312,GGA+U,P2_1,ABC10D_mP26_4_a_a_10a_a:K-Ni-O-P,26.0,ABC10D_mP26_4_a_a_10a_a:K-Ni-O-P +mp-21957,KNi4(PO4)3,-7.180453913,-2.1888980269,0.0,-0.0036208439,GGA+U,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:K-Ni-O-P,80.0,AB4C12D3_oP80_58_g_2gh_6g3h_3g:K-Ni-O-P +mp-1204380,KNa2(NiO2)2,-5.2123924822,-1.3121171779,0.0293131392,0.0293131392,GGA+U,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:K-Na-Ni-O,36.0,AB2C2D4_mP36_14_e_2e_2e_4e:K-Na-Ni-O +mp-1211887,K2Ni(PO3)4,-7.2314379116,-2.5464690097,0.0187361921,0.0187361921,GGA+U,Cc,A2BC12D4_mC76_9_2a_a_12a_4a:K-Ni-O-P,38.0,A2BC12D4_mC76_9_2a_a_12a_4a:K-Ni-O-P +mp-1224256,K5NaNi5(P2O7)4,-7.0598340836,-2.4302828624,0.0,-0.0082605863,GGA+U,P1,A5BC5D28E8_aP47_1_5a_a_5a_28a_8a:K-Na-Ni-O-P,47.0,A5BC5D28E8_aP47_1_5a_a_5a_28a_8a:K-Na-Ni-O-P +mp-558324,K2Ni4P4O15,-6.9884683834,-2.140672971,0.151370168,0.151370168,GGA+U,C2/c,A2B4C15D4_mC200_15_2f_c3e2f_15f_4f:K-Ni-O-P,100.0,"Invalid WP multiplicities - A2B4C15D4_mC200_15_5f_2a6e7f_54f_13f:K-Ni-O-P, expected K5Ni11P13O54 to be K2Ni4P4O15" +mp-1181103,K4NiP6O25,-6.3482213589,-1.7268667675,0.3745081411,0.3745081411,GGA+U,Fmm2,A4BC25D6_oF144_42_bc_a_a4c2d3e_ce:K-Ni-O-P,36.0,A4BC25D6_oF144_42_bc_a_a4c2d3e_ce:K-Ni-O-P +mp-1197593,K4NiP6O25,-6.3405289978,-1.7191744064,0.3822005022,0.3822005022,GGA+U,Fmm2,A4BC25D6_oF144_42_bc_a_a4c2d3e_ce:K-Ni-O-P,36.0,A4BC25D6_oF144_42_bc_a_a4c2d3e_ce:K-Ni-O-P +mp-22655,KNiPO4,-6.9049642846,-2.3205938591,0.0,-0.0297534528,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:K-Ni-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:K-Ni-O-P +mp-1198941,KNi3P3O11,-7.231178544,-2.2809400812,0.0,-0.0061341373,GGA+U,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:K-Ni-O-P,72.0,AB3C11D3_mP72_14_e_3e_11e_3e:K-Ni-O-P +mp-558824,KNa2NiO2,-4.4255919029,-1.1874312969,0.0777422254,0.0777422254,GGA+U,Cmce,AB2CD2_oC48_64_f_de_f_2f:K-Na-Ni-O,24.0,AB2CD2_oC48_64_f_de_f_2f:K-Na-Ni-O +mp-1223374,KNa2NiO2,-4.4232903054,-1.1851296994,0.0800438229,0.0800438229,GGA+U,I4mm,AB2CD2_tI12_107_a_b_a_2a:K-Na-Ni-O,24.0,AB2CD2_tI12_107_a_b_a_2a:K-Na-Ni-O +mp-567227,K2NiP2O7,-6.8628886684,-2.4083586213,0.0665960414,0.0665960414,GGA+U,P2_1,A2BC7D2_mP96_4_8a_4a_28a_8a:K-Ni-O-P,96.0,"Invalid WP multiplicities - A2BC7D2_mP96_4_15a_8a_54a_16a:K-Ni-O-P, expected K15Ni8(P8O27)2 to be K2NiP2O7" +mp-557878,KNi(PO3)3,-7.3524458175,-2.5202571355,0.0,-0.0267297356,GGA+U,R3,ABC9D3_hR42_146_a_a_3b_b:K-Ni-O-P,56.0,ABC9D3_hR42_146_a_a_3b_b:K-Ni-O-P +mp-1200859,Na2HoPWO8,-7.822019176199999,-2.8087574928,0.0071389135,0.0071389135,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Ho-Na-O-P-W,52.0,AB2C8DE_oI104_73_c_f_4f_c_d:Ho-Na-O-P-W +mp-1212305,MnAg4P6(HO3)6,-6.2626454274,-1.6235366441,0.3052911085,0.3052911085,GGA+U,P-1,A4B6CD18E6_aP35_2_2i_3i_a_9i_3i:Ag-H-Mn-O-P,35.0,A4B6CD18E6_aP35_2_2i_3i_a_9i_3i:Ag-H-Mn-O-P +mp-1180483,MnAg4(PO4)6,-6.5040632397,-1.5985608564,0.2139136962,0.2139136962,GGA+U,P-1,A4BC24D6_aP35_2_2i_a_12i_3i:Ag-Mn-O-P,35.0,A4BC24D6_aP35_2_2i_a_12i_3i:Ag-Mn-O-P +mp-542161,Mn3Ag2(P2O7)2,-7.7092100311,-2.3153835151,0.0,-0.000351818,GGA+U,P-1,A2B3C14D4_aP46_2_2i_3i_14i_4i:Ag-Mn-O-P,46.0,A2B3C14D4_aP46_2_2i_3i_14i_4i:Ag-Mn-O-P +mp-1193494,MnAgPO4,-7.4348108093,-2.1212924311,0.0,-0.0054049931,GGA+U,P-1,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Mn-O-P,28.0,ABC4D_aP28_2_2i_2i_8i_2i:Ag-Mn-O-P +mp-16185,Mn6AgP7O24,-8.1472770984,-2.5046904044,0.0,-0.0009977264,GGA+U,P2_1/m,AB6C24D7_mP76_11_e_3f_2e11f_e3f:Ag-Mn-O-P,76.0,"Invalid WP multiplicities - AB6C24D7_mP76_11_e_7f_2e14f_e3f:Ag-Mn-O-P, expected Mn14AgP7O30 to be Mn6AgP7O24" +mp-1222017,Mn3Ag(PO4)3,-7.8623104239,-2.2876381116,0.0369931774,0.0369931774,GGA+U,C2/c,AB3C12D3_mC76_15_e_ef_6f_ef:Ag-Mn-O-P,38.0,AB3C12D3_mC76_15_e_ef_6f_ef:Ag-Mn-O-P +mp-16552,MnAg(PO3)3,-7.5746335045,-2.3778708461,0.0,-0.00811272,GGA+U,P2_12_12_1,ABC9D3_oP224_19_4a_4a_36a_12a:Ag-Mn-O-P,224.0,ABC9D3_oP224_19_4a_4a_36a_12a:Ag-Mn-O-P +mp-1043542,CaNiP2WO9,-8.0038775421,-2.5688296704,0.0194707757,0.0194707757,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-W,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Ca-Ni-O-P-W +mp-766465,Sr2MnCO3F5,-6.9844364073000005,-3.1371756854,0.0185656436,0.0185656436,GGA+U,P2_1/c,AB5CD3E2_mP48_14_e_5e_e_3e_2e:C-F-Mn-O-Sr,48.0,"Invalid WP multiplicities - AB5CD3E2_mP48_14_e_17e_e_11e_5e:C-F-Mn-O-Sr, expected Sr5MnCO11F17 to be Sr2MnCO3F5" +mp-1218639,Sr5Mn4CO13,-7.758616843,-2.600740879,0.0,-0.0002279227,GGA+U,Pm,AB4C13D5_mP23_6_a_4a_9a4b_5b:C-Mn-O-Sr,23.0,AB4C13D5_mP23_6_a_4a_9a4b_5b:C-Mn-O-Sr +mp-758932,Li5FeHO4,-5.5951321166,-1.8502124408,0.0606394325,0.0606394325,GGA+U,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Fe-H-Li-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Fe-H-Li-O, expected Li34Fe5H2O27 to be Li5FeHO4" +mp-943462,LiFeHSO5,-6.6540698967,-1.9161183917,0.0,-0.0052001961,GGA+U,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:Fe-H-Li-O-S,36.0,ABCD5E_mP36_14_e_e_e_5e_e:Fe-H-Li-O-S +mp-780157,LiFeH12(SO7)2,-5.8111605502,-1.5238872732000002,0.0342879867,0.0342879867,GGA+U,P2_1,AB12CD14E2_mP60_4_a_12a_a_14a_2a:Fe-H-Li-O-S,60.0,"Invalid WP multiplicities - AB12CD14E2_mP60_4_a_22a_a_26a_2a:Fe-H-Li-O-S, expected LiFeH22(SO13)2 to be LiFeH12(SO7)2" +mp-781672,LiFeH8(SO6)2,-5.9740428269,-1.5926296308,0.034575939,0.034575939,GGA+U,P2_1/c,AB8CD12E2_mP96_14_ad_8e_e_12e_2e:Fe-H-Li-O-S,96.0,"Invalid WP multiplicities - AB8CD12E2_mP96_14_2a2b_29e_e_45e_5e:Fe-H-Li-O-S, expected LiFe2H29(SO9)5 to be LiFeH8(SO6)2" +mp-778185,Li2FeH8(SO6)2,-5.941875824,-1.6593622411000002,0.0557716356,0.0557716356,GGA+U,P2_1/c,AB8C2D12E2_mP100_14_ad_8e_2e_12e_2e:Fe-H-Li-O-S,100.0,"Invalid WP multiplicities - AB8C2D12E2_mP100_14_2a2b_29e_5e_45e_5e:Fe-H-Li-O-S, expected Li5Fe2H29(SO9)5 to be Li2FeH8(SO6)2" +mp-770572,Li2FeH12(SO7)2,-5.7779229065,-1.5673706105,0.0639413585,0.0639413585,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Fe-H-Li-O-S,62.0,"Invalid WP multiplicities - AB12C2D14E2_mP62_14_a_21e_e_25e_e:Fe-H-Li-O-S, expected Li2FeH42(SO25)2 to be Li2FeH12(SO7)2" +mp-770588,Li2FeH4(SO5)2,-6.2029580232,-1.8030339195,0.0488620171,0.0488620171,GGA+U,P-1,AB4C2D10E2_aP38_2_i_4i_2i_10i_2i:Fe-H-Li-O-S,38.0,"Invalid WP multiplicities - AB4C2D10E2_aP38_2_i_7i_3i_19i_3i:Fe-H-Li-O-S, expected Li3FeH7S3O19 to be Li2FeH4(SO5)2" +mp-505094,KMgV3Cu4O13,-6.9305689007,-1.9002881219,0.0376447097,0.0376447097,GGA+U,P2_1/m,A4BCD13E3_mP44_11_2ef_e_e_7e3f_3e:Cu-K-Mg-O-V,44.0,"Invalid WP multiplicities - A4BCD13E3_mP44_11_2e3f_e_e_7e4f_6e:Cu-K-Mg-O-V, expected KMgV6Cu8O15 to be KMgV3Cu4O13" +mp-561861,KMg2V3(CuO6)2,-7.1951428967,-2.2390751401,0.0315462254,0.0315462254,GGA+U,C2/c,A2BC2D12E3_mC80_15_2e_e_f_6f_ef:Cu-K-Mg-O-V,40.0,"Invalid WP multiplicities - A2BC2D12E3_mC80_15_2e_e_f_6f_2e2f:Cu-K-Mg-O-V, expected KMg2V6(CuO6)2 to be KMg2V3(CuO6)2" +mp-1211434,KMg3V3CuO12,-7.3319868247,-2.5008653991000003,0.0,-0.0029712836,GGA+U,C2/c,ABC3D12E3_mC80_15_e_e_ef_6f_ef:Cu-K-Mg-O-V,40.0,ABC3D12E3_mC80_15_e_e_ef_6f_ef:Cu-K-Mg-O-V +mp-757444,VNi3Sb2(PO4)6,-7.3947649953,-2.2313576981,0.0949660314,0.0949660314,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Ni-O-P-Sb-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Ni-O-P-Sb-V, expected VNi3Sb2(PO10)6 to be VNi3Sb2(PO4)6" +mp-1193158,CoSi(OF)6,-4.9214844879,-1.0870100666,0.6577954448000001,0.6577954448000001,GGA+U,P2_1/c,AB6C6D_mP28_14_a_3e_3e_d:Co-F-O-Si,28.0,AB6C6D_mP28_14_a_3e_3e_b:Co-F-O-Si +mp-1199434,TcAsH2(OF5)2,-5.3473122902,-2.1714762566,0.0,-0.0312869895,GGA,P2_1/c,AB10C2D2E_mP64_14_e_10e_2e_2e_e:As-F-H-O-Tc,64.0,AB10C2D2E_mP64_14_e_10e_2e_2e_e:As-F-H-O-Tc +mp-1189824,CeAsN(O2F)2,-6.4554760144,-1.7289854294,0.7586459695000001,0.7586459695000001,GGA,P2_1/m,ABC2DE4_mP18_11_e_e_f_e_2ef:As-Ce-F-N-O,18.0,ABC2DE4_mP18_11_e_e_f_e_2ef:As-Ce-F-N-O +mp-611316,AsN(OF3)2,-5.294180137,-1.8583936812,0.034574586,-0.1533339317,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:As-F-N-O,10.0,"Invalid WP multiplicities - AB6CD2_mC20_12_a_2ij_c_i:As-F-N-O, expected AsN(OF4)2 to be AsN(OF3)2" +mp-1182477,AsN(OF3)2,-5.328754723,-1.8929682673,0.0,-0.1879085177,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:As-F-N-O,10.0,"Invalid WP multiplicities - AB6CD2_mC20_12_a_2ij_c_i:As-F-N-O, expected AsN(OF4)2 to be AsN(OF3)2" +mp-1183269,AsN(OF3)2,-5.317491215,-1.8817047592,0.011263508,-0.1766450097,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:As-F-N-O,10.0,"Invalid WP multiplicities - AB6CD2_mC20_12_a_2ij_c_i:As-F-N-O, expected AsN(OF4)2 to be AsN(OF3)2" +mp-1517276,KPrYSbO6,-7.436173717,-2.8194827847,0.13858712,0.13858712,GGA,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-Sb-Y +mp-1194621,Co2I3(N2O)3,-5.4042283157,0.5597552788,1.1701057824,1.1701057824,GGA+U,Pmn2_1,A2B3C6D3_oP28_31_2a_3a_2a2b_ab:Co-I-N-O,28.0,A2B3C6D3_oP28_31_2a_3a_2a2b_ab:Co-I-N-O +mp-616557,CoI(NO)2,-6.1605797683,-0.3025711987,0.4563896356,0.4563896356,GGA+U,Pnma,ABC2D2_oP24_62_c_c_2c_2c:Co-I-N-O,24.0,"Invalid WP multiplicities - ABC2D2_oP24_62_c_c_6c_5c:Co-I-N-O, expected CoIN6O5 to be CoI(NO)2" +mp-1196088,Cs3CoI4NO3,-4.4948845673,-1.2561719531,0.1212967651,0.1212967651,GGA+U,Pnma,AB3C4DE3_oP48_62_c_cd_2cd_c_cd:Co-Cs-I-N-O,48.0,AB3C4DE3_oP48_62_c_cd_2cd_c_cd:Co-Cs-I-N-O +mp-1079998,Co(IN3)2,-4.4210982578,2.2537928583,2.505663911,2.505663911,GGA,Fm-3m,AB2C6_cF36_225_a_c_e:Co-I-N,9.0,AB2C6_cF36_225_a_c_e:Co-I-N +mp-541872,Cs2Co(NO3)4,-6.4260480167,-1.0783971339,0.1062419798,0.1062419798,GGA+U,P-1,AB2C4D12_aP76_2_2i_4i_8i_24i:Co-Cs-N-O,76.0,AB2C4D12_aP76_2_2i_4i_8i_24i:Co-Cs-N-O +mp-1204312,Co(IN2)3,-4.713376474,1.4413621655,1.7106185386,1.7106185386,GGA,Pn-3m,AB3C6_cP40_224_b_g_k:Co-I-N,40.0,AB3C6_cP40_224_b_g_k:Co-I-N +mp-1078734,Co(IN2)3,-4.37323792,1.7815007195,2.0507570926,2.0507570926,GGA,Fm-3m,AB3C6_cF40_225_a_bc_e:Co-I-N,10.0,AB3C6_cF40_225_a_bc_e:Co-I-N +mp-1204403,CoI2(N3O)2,-6.2662898684,0.0943826286,0.632844741,0.632844741,GGA+U,C2/m,AB2C6D2_mC88_12_2i_4i_4i4j_4i:Co-I-N-O,44.0,AB2C6D2_mC88_12_2i_4i_4i4j_4i:Co-I-N-O +mp-1105312,CoI7N6,-3.8713124443,0.9458912554,1.1534216739,1.1534216739,GGA,C2/m,AB7C6_mC28_12_a_d3i_ij:Co-I-N,14.0,AB7C6_mC28_12_a_c3i_ij:Co-I-N +mp-1235487,LiAg4(PO3)4,-6.4241443448,-1.9359242761,0.1088116981,0.1088116981,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Li-O-P,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Li-O-P +mp-1236396,LiAg4(PO3)4,-6.4281727271,-1.9399526585,0.1047833157,0.1047833157,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Li-O-P,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Ag-Li-O-P +mp-695951,LiAg2P3(HO5)2,-6.4952388408,-2.0471120855,0.0186369075,0.0186369075,GGA,P-1,A2B2CD10E3_aP36_2_2i_2i_i_10i_3i:Ag-H-Li-O-P,36.0,A2B2CD10E3_aP36_2_2i_2i_i_10i_3i:Ag-H-Li-O-P +mp-1516962,KSrSmWO6,-7.9209847697,-2.9053106665,0.0190447872,0.0190447872,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_e_cd_f:K-O-Sm-Sr-W,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_2a2b_6m_e_cd_f:K-O-Sm-Sr-W, expected K2SrSmWO12 to be KSrSmWO6" +mp-1517057,KSrSmWO6,-7.908301753,-2.8926276497,0.031727804,0.031727804,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sm-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sm-Sr-W +mp-676473,Te6H6S(Cl13O2)2,-3.7045366747,-1.1184587793,0.0244056379,0.0244056379,GGA,Cm,A26B6C4DE6_mC86_8_6a10b_2a2b_2ab_a_2a2b:Cl-H-O-S-Te,43.0,"Invalid WP multiplicities - A26B6C4DE6_mC86_8_6a20b_2a4b_2ab_a_2a4b:Cl-H-O-S-Te, expected Te10H10S(Cl23O2)2 to be Te6H6S(Cl13O2)2" +mp-1223719,K2Co2(SeO3)3,-5.9835879966,-1.5182526017,0.0030633761,0.0030633761,GGA+U,P6_3mc,A2B2C9D3_hP32_186_2b_2b_3c_2ab:Co-K-O-Se,32.0,"Invalid WP multiplicities - A2B2C9D3_hP32_186_4b_4b_5c_4ab:Co-K-O-Se, expected K4Co4(SeO3)5 to be K2Co2(SeO3)3" +mp-697878,KCo2H3(SeO5)2,-5.5349155378,-0.9813642745,0.4101176969,0.4002162127,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-K-O-Se,18.0,"Invalid WP multiplicities - A2B3CD10E2_mC36_8_b_3a_a_6a4b_2a:Co-H-K-O-Se, expected KCo2H3(SeO7)2 to be KCo2H3(SeO5)2" +mp-1223548,KCo2H3(SeO5)2,-5.9450332347,-1.3914819714,0.0,-0.0099014842,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-K-O-Se,36.0,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-K-O-Se +mp-1196625,K2CoH12(SeO7)2,-5.4755042597,-1.4017206099,0.0,-0.0027779072,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-Se,62.0,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-Se +mp-1238731,K2CoH12(SeO7)2,-5.2626625632,-1.1888789135,0.2128416965,0.2100637893,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-Se,62.0,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-Se +mp-666011,K2Co(SeO3)2,-3.7806998545,0.4012156829,2.0156889555,2.0044048689,GGA+U,P-1,AB2C6D2_aP11_2_a_i_3i_i:Co-K-O-Se,11.0,AB2C6D2_aP11_2_a_i_3i_i:Co-K-O-Se +mp-19189,K2Co(SeO3)2,-5.79638881,-1.6144732726000002,0.0,-0.0112840866,GGA+U,R-3m,AB2C6D2_hR33_166_a_c_h_c:Co-K-O-Se,22.0,AB2C6D2_mC22_12_a_i_ij_i:Co-K-O-Se +mp-722288,K2CoH4(SeO5)2,-4.7287134432,-0.5519381833,0.9217354254,0.9217354254,GGA+U,P-1,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Co-H-K-O-Se,19.0,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Co-H-K-O-Se +mp-690515,K2CoH2(SeO5)2,-5.6548663047000005,-1.3858499608,0.046745358,0.046745358,GGA+U,P-1,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-Se,17.0,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-Se +mp-553890,CuSb2H12(O3F4)2,-5.1149745222,-1.734219843,0.0006712284,0.0006712284,GGA,P2_1/c,AB8C12D6E2_mP58_14_a_4e_6e_3e_e:Cu-F-H-O-Sb,58.0,"Invalid WP multiplicities - AB8C12D6E2_mP58_14_a_10e_21e_11e_e:Cu-F-H-O-Sb, expected CuSb2H42(O11F10)2 to be CuSb2H12(O3F4)2" +mp-1232328,Cu3Sb4(OF)6,-5.4954419363,-1.8131981972,0.1003577189,0.1003577189,GGA,I-43m,A3B6C6D4_cI38_217_b_d_e_c:Cu-F-O-Sb,19.0,A3B6C6D4_cI38_217_b_d_e_c:Cu-F-O-Sb +mp-754075,LiHfPCO7,-8.3677903923,-2.8100721309,0.05320227,0.05320227,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Hf-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Hf-Li-O-P, expected LiHfPCO13 to be LiHfPCO7" +mp-1197023,Pt(SO4)2,-6.3059293359,-1.404334541,0.0,-0.0034599311,GGA,P2_1/c,A8BC2_mP44_14_8e_e_2e:O-Pt-S,44.0,A8BC2_mP44_14_8e_e_2e:O-Pt-S +mp-1199674,PtC4S2(BrO)2,-5.7350967957,0.1065513049,0.8791495431,0.8791495431,GGA,P-1,A2B4C2DE2_aP44_2_4i_8i_4i_2i_4i:Br-C-O-Pt-S,44.0,A2B4C2DE2_aP44_2_4i_8i_4i_2i_4i:Br-C-O-Pt-S +mp-1328634,PtC4S2(BrO)2,-4.6687446873,1.1729034133,1.9455016515,1.9455016515,GGA,P-1,A2B4C2DE2_aP44_2_4i_8i_4i_2i_4i:Br-C-O-Pt-S,44.0,A2B4C2DE2_aP44_2_4i_8i_4i_2i_4i:Br-C-O-Pt-S +mp-1213618,CsLaH4(SO4)2,-5.4888508575,-1.2858056649,0.7910682627000001,0.7910682627000001,GGA,P2_1/c,AB4CD8E2_mP64_14_e_4e_e_8e_2e:Cs-H-La-O-S,64.0,AB4CD8E2_mP64_14_e_4e_e_8e_2e:Cs-H-La-O-S +mp-561586,CsLaS2,-5.64920373,-2.1231264273,0.0,-0.1416343163,GGA,R-3m,ABC2_hR12_166_a_b_c:Cs-La-S,4.0,ABC2_hR12_166_a_b_c:Cs-La-S +mp-560260,CsLa(SO4)2,-7.0567626673,-2.5836110922,0.0,-0.0415078368,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Cs-La-O-S,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_32e_6e:Cs-La-O-S, expected CsLa(S3O16)2 to be CsLa(SO4)2" +mp-1205125,CsLa(SO6)2,-5.8836376575,-1.2921017984,0.6456065208,0.6456065208,GGA,P2_1/c,ABC12D2_mP64_14_e_e_12e_2e:Cs-La-O-S,64.0,ABC12D2_mP64_14_e_e_12e_2e:Cs-La-O-S +mp-1229009,As2H5CO6,-5.6713980025,-1.0149219457,0.3488211068,0.3488211068,GGA,Cc,A2BC5D6_mC56_9_2a_a_5a_6a:As-C-H-O,28.0,"Invalid WP multiplicities - A2BC5D6_mC56_9_3a_a_7a_9a:As-C-H-O, expected As3H7CO9 to be As2H5CO6" +mp-1202552,As4H6(CO)3,-5.5406586909,-0.4457279096,0.2754274769,0.2754274769,GGA,P-1,A4B3C6D3_aP64_2_8i_6i_12i_6i:As-C-H-O,64.0,A4B3C6D3_aP64_2_8i_6i_12i_6i:As-C-H-O +mp-1194260,As2H6CO6,-5.6817642273,-1.1095381713,0.2029768832,0.2029768832,GGA,Aea2,A2BC6D6_oC60_41_b_a_3b_3b:As-C-H-O,30.0,A2BC6D6_oC60_41_b_a_3b_3b:As-C-H-O +mp-738611,LiAsH20(C2O)4,-5.2866205931,-0.3443076238,0.2772021184,0.2772021184,GGA,C2/c,AB8C20DE4_mC136_15_e_4f_10f_e_2f:As-C-H-Li-O,68.0,AB8C20DE4_mC136_15_e_4f_10f_e_2f:As-C-H-Li-O +mp-756769,Na2TlPCO7,-6.6378119321,-2.1147717061,0.0,-0.0280816941,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Tl,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Tl, expected Na2TlPCO13 to be Na2TlPCO7" +mp-771343,Na3TlPCO7,-6.3982672069,-2.1214204373,0.0509893028,0.0509893028,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Na-O-P-Tl,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Na-O-P-Tl, expected Na5TlPCO13 to be Na3TlPCO7" +mp-768155,Na3TlPCO7,-6.4122972958,-2.1354505262,0.0369592139,0.0369592139,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-Tl,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-Tl, expected Na4TlPCO13 to be Na3TlPCO7" +mp-542222,Tb2H16S3O20,-6.1087048566,-1.8429616189,0.0103038387,0.0103038387,GGA,C2/c,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Tb,82.0,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Tb +mp-1195192,NaTbH2S2O9,-6.6469013262,-2.277871885,0.0017112299,0.0017112299,GGA,P3_121,A2BC9D2E_hP45_152_c_b_a4c_c_a:H-Na-O-S-Tb,45.0,A2BC9D2E_hP45_152_c_b_a4c_c_a:H-Na-O-S-Tb +mp-999126,NaTbS2,-5.6485360225,-2.0910882407,0.0,-0.1443663559,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Tb,4.0,AB2C_hR12_166_a_c_b:Na-S-Tb +mp-1203039,TbHSO5,-7.1560607653,-2.5439375693,0.0,-0.0004062672,GGA,P2_1/c,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Tb,64.0,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Tb +mp-1192277,MnC5IO5,-7.5922960687,-0.7996166803,0.4870543229,0.4870543229,GGA+U,Cmcm,A5BCD5_oC48_63_ch_c_c_ch:C-I-Mn-O,24.0,A5BCD5_oC48_63_ch_c_c_ch:C-I-Mn-O +mp-653788,MnC4IO4,-7.5000499979,-0.7663701522,0.5120834619,0.5120834619,GGA+U,P2_1/c,A4BCD4_mP80_14_8e_2e_2e_8e:C-I-Mn-O,80.0,"Invalid WP multiplicities - A4BCD4_mP80_14_28e_3e_5e_28e:C-I-Mn-O, expected Mn5C28I3O28 to be MnC4IO4" +mp-683652,Mn2InC10IO10,-7.637211604,-0.7912689914000001,0.5642671490000001,0.5642671490000001,GGA+U,P-1,A10BCD2E10_aP48_2_10i_i_i_2i_10i:C-I-In-Mn-O,48.0,"Invalid WP multiplicities - A10BCD2E10_aP48_2_20i_i_i_4i_19i:C-I-In-Mn-O, expected Mn4InC20IO19 to be Mn2InC10IO10" +mp-1180959,PdC8(NCl3)2,-5.1397649491,1.1410242015,1.4962756826,1.4962756826,GGA,Fd-3c,A8B6C2D_cF544_228_eh_h_ad_c:C-Cl-N-Pd,136.0,A8B6C2D_cF544_228_eh_h_ad_c:C-Cl-N-Pd +mp-1180428,PdC9N3Cl5,-5.9567670218,0.8482351625000001,1.143515596,1.143515596,GGA,Pnma,A9B5C3D_oP72_62_c4d_3cd_cd_c:C-Cl-N-Pd,72.0,A9B5C3D_oP72_62_c4d_3cd_cd_c:C-Cl-N-Pd +mp-1102641,PdC2(NO)4,-6.3908390409,0.5882470809,1.5538892255,1.5538892255,GGA,P-1,A2B4C4D_aP11_2_i_2i_2i_a:C-N-O-Pd,11.0,A2B4C4D_aP11_2_i_2i_2i_a:C-N-O-Pd +mp-725584,PdCNCl2O,-4.9521103567,0.2793570198,1.1670411402,1.1670411402,GGA,P2_1/c,AB2CDE_mP24_14_e_2e_e_e_e:C-Cl-N-O-Pd,24.0,AB2CDE_mP24_14_e_2e_e_e_e:C-Cl-N-O-Pd +mp-615537,PdC2ClO2,-6.6625412467,-0.7660201004,0.3417009342,0.3417009342,GGA,I-42d,A2BC2D_tI96_122_2e_e_2e_e:C-Cl-O-Pd,48.0,"Invalid WP multiplicities - A2BC2D_tI96_122_6e_e_6e_e:C-Cl-O-Pd, expected PdC6ClO6 to be PdC2ClO2" +mp-755185,LiSbPHO5,-6.5603079156,-2.1628194473,0.0763899123,0.0763899123,GGA,P-1,ABC5DE_aP18_2_i_i_5i_i_ab:H-Li-O-P-Sb,18.0,"Invalid WP multiplicities - ABC5DE_aP18_2_i_i_9i_i_ab:H-Li-O-P-Sb, expected LiSbPHO9 to be LiSbPHO5" +mp-554145,Na3SrPCO7,-6.8040646235,-2.5789985995,0.0142946752,0.0142946752,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Na-O-P-Sr,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_14a_a_a:C-Na-O-P-Sr, expected Na5SrPCO14 to be Na3SrPCO7" +mp-767431,Na3SrPCO7,-6.8087457754,-2.5836797514,0.0096135233,0.0096135233,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-Sr,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-Sr, expected Na4SrPCO13 to be Na3SrPCO7" +mp-23883,Be2BHO4,-7.3881132092,-2.7209009104,0.0,-0.0347970169,GGA,Pbca,AB2CD4_oP64_61_c_2c_c_4c:B-Be-H-O,64.0,"Invalid WP multiplicities - AB2CD4_oP64_61_c_6c_c_8c:B-Be-H-O, expected Be6BHO8 to be Be2BHO4" +mp-722237,Be(B3H8)2,-4.3655630233,-0.1003725793,0.1114869452,0.1114869452,GGA,P2_1/c,A6BC16_mP92_14_6e_e_16e:B-Be-H,92.0,A6BC16_mP92_14_6e_e_16e:B-Be-H +mp-1205430,Be(B3H8)2,-4.4765796866,-0.2113892427,0.0004702819,0.0004702819,GGA,P2_1/c,A6BC16_mP92_14_6e_e_16e:B-Be-H,92.0,A6BC16_mP92_14_6e_e_16e:B-Be-H +mp-27344,Be(BH4)2,-4.2660700122,-0.244251397,0.0,-0.0666470873,GGA,I4_1cd,A2BC8_tI176_110_2b_b_8b:B-Be-H,88.0,"Invalid WP multiplicities - A2BC8_tI176_110_2b_b_11b:B-Be-H, expected BeB2H11 to be Be(BH4)2" +mp-1218394,Sr3Be2B5HO13,-7.7297179654,-2.9945536223,0.0327547751,0.0327547751,GGA,Cm,A5B2CD13E3_mC48_8_3ab_b_a_3a5b_ab:B-Be-H-O-Sr,24.0,"Invalid WP multiplicities - A5B2CD13E3_mC48_8_3ab_b_a_3a9b_a2b:B-Be-H-O-Sr, expected Sr5Be2B5HO21 to be Sr3Be2B5HO13" +mp-27748,Be(B3H7)2,-4.5481842473,-0.1999019558,0.0167134023,0.0167134023,GGA,P2_1/c,A6BC14_mP84_14_6e_e_14e:B-Be-H,84.0,"Invalid WP multiplicities - A6BC14_mP84_14_6e_e_16e:B-Be-H, expected Be(B3H8)2 to be Be(B3H7)2" +mp-1196241,SrBe(HO)4,-5.937918759,-2.0592622247,0.0043948613,0.0043948613,GGA,I4_1/acd,AB4C4D_tI160_142_e_2g_2g_ab:Be-H-O-Sr,80.0,AB4C4D_tI160_142_e_2g_2g_ab:Be-H-O-Sr +mp-1227442,Be2BH3O5,-6.7922089645,-2.3313144925,0.0,-0.0028263703,GGA,P1,AB2C3D5_aP11_1_a_2a_3a_5a:B-Be-H-O,11.0,AB2C3D5_aP11_1_a_2a_3a_5a:B-Be-H-O +mp-1227646,Be2BH3O5,-6.7886080405,-2.3277135684,0.0036009241,0.0007745538,GGA,P2_1,AB2C3D5_mP22_4_a_2a_3a_5a:B-Be-H-O,22.0,"Invalid WP multiplicities - AB2C3D5_mP22_4_a_2a_5a_8a:B-Be-H-O, expected Be2BH5O8 to be Be2BH3O5" +mp-1227394,Be2BH3O5,-6.7921161468,-2.3312216748,9.28177e-05,-0.0027335526,GGA,Cc,AB2C3D5_mC44_9_a_2a_3a_5a:B-Be-H-O,22.0,"Invalid WP multiplicities - AB2C3D5_mC44_9_a_2a_4a_7a:B-Be-H-O, expected Be2BH4O7 to be Be2BH3O5" +mp-722485,SrP2(H2O3)3,-6.4203878003,-2.1207959593,0.0250047582,0.0250047582,GGA,P-1,A6B9C2D_aP36_2_6i_9i_2i_i:H-O-P-Sr,36.0,A6B9C2D_aP36_2_6i_9i_2i_i:H-O-P-Sr +mp-24297,SrP2(HO)4,-5.9907703995,-1.8204288094,0.0,-0.0266659621,GGA,C2/c,A4B4C2D_mC44_15_2f_2f_f_e:H-O-P-Sr,22.0,"Invalid WP multiplicities - A4B4C2D_mC44_15_2f_3f_f_e:H-O-P-Sr, expected SrP2(H2O3)2 to be SrP2(HO)4" +mp-1192599,SrP2(HO4)2,-6.797992585,-2.2691417968,0.1068627281,0.1068627281,GGA,P-1,A2B8C2D_aP26_2_2i_8i_2i_i:H-O-P-Sr,26.0,A2B8C2D_aP26_2_2i_8i_2i_i:H-O-P-Sr +mp-765294,SrP2(H2O3)2,-6.3891896192,-2.0994100104,0.0083964417,0.0083964417,GGA,P-1,A4B6C2D_aP26_2_4i_6i_2i_i:H-O-P-Sr,26.0,"Invalid WP multiplicities - A4B6C2D_aP26_2_7i_11i_3i_i:H-O-P-Sr, expected SrP3H7O11 to be SrP2(H2O3)2" +mp-24171,SrPH3O4,-6.2986279697,-2.1799914208,0.0123853925,0.0123853925,GGA,P2_1/c,A3B4CD_mP36_14_3e_4e_e_e:H-O-P-Sr,36.0,"Invalid WP multiplicities - A3B4CD_mP36_14_3e_7e_e_e:H-O-P-Sr, expected SrPH3O7 to be SrPH3O4" +mp-863262,SrNi2P2(H2O5)2,-6.7137142245,-2.1287582708,0.0067030666,0.0067030666,GGA+U,C2/m,A4B2C10D2E_mC38_12_2i_f_3ij_i_a:H-Ni-O-P-Sr,38.0,A4B2C10D2E_mC38_12_2i_e_3ij_i_a:H-Ni-O-P-Sr +mp-735022,SrPHO4,-7.1441743255,-2.8181347755,0.000635413,0.000635413,GGA,Pbca,AB4CD_oP112_61_2c_8c_2c_2c:H-O-P-Sr,112.0,AB4CD_oP112_61_2c_8c_2c_2c:H-O-P-Sr +mp-553922,K2Mo15S19,-7.7787137203,-1.0148776921,0.0301259746,0.0301259746,GGA,R-3c,A2B15C19_hR216_167_c_e2f_2ce2f:K-Mo-S,72.0,"Invalid WP multiplicities - A2B15C19_hR216_167_c_3e20f_5c4e13f:K-Mo-S, expected K2Mo129S100 to be K2Mo15S19" +mp-685514,K7(Mo9S11)4,-7.6870402226,-1.0178449268,0.0294879918,0.0294879918,GGA,Pc,A7B36C44_mP174_7_7a_36a_44a:K-Mo-S,174.0,A7B36C44_mP174_7_14a_72a_88a:K-Mo-S +mp-560296,K(Mo6S7)2,-7.9428424165,-0.9366017349,0.0604562509,0.0604562509,GGA,P-31c,AB12C14_hP54_163_c_2i_f2i:K-Mo-S,54.0,"Invalid WP multiplicities - AB12C14_hP54_163_c_13i_3f17i:K-Mo-S, expected K(Mo13S18)6 to be K(Mo6S7)2" +mp-554769,MoSBr,-6.6471854133,-1.1354759777,0.01633375,0.01633375,GGA,F-43m,ABC_cF48_216_e_e_e:Br-Mo-S,12.0,ABC_cF48_216_e_e_e:Br-Mo-S +mp-1193903,K2MoS3O,-5.6039329682,-1.2578634945,0.2197487579,0.2197487579,GGA+U,Pnma,A2BCD3_oP28_62_2c_c_c_cd:K-Mo-O-S,28.0,A2BCD3_oP28_62_2c_c_c_cd:K-Mo-O-S +mp-8116,K(MoS)3,-7.5930855379,-1.0135571268,0.0,-0.0704423261,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:K-Mo-S,14.0,AB3C3_hP14_176_c_h_h:K-Mo-S +mp-1103996,K(MoS)3,-7.5547618793,-0.9752334682,0.0383236586,-0.0321186675,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:K-Mo-S,14.0,AB3C3_hP14_176_c_h_h:K-Mo-S +mp-1104220,K2MoSO3,-6.472643785,-1.8950774986,0.0714290061,0.0714290061,GGA+U,C2/m,A2BC3D_mC28_12_2i_i_ij_i:K-Mo-O-S,14.0,A2BC3D_mC28_12_2i_i_ij_i:K-Mo-O-S +mp-1199707,K4Mo2S4BrO20,-6.0555075053,-1.4372656334,0.5718369558,0.5718369558,GGA+U,P4/mnc,AB4C2D20E4_tP62_128_a_g_e_3hi_h:Br-K-Mo-O-S,62.0,AB4C2D20E4_tP62_128_a_g_e_3hi_h:Br-K-Mo-O-S +mp-1227933,K2Mo3SO17,-6.5766885897,-1.2293883209,0.4718077871,0.4718077871,GGA+U,P2_1/c,A2B3C17D_mP92_14_2e_3e_17e_e:K-Mo-O-S,92.0,"Invalid WP multiplicities - A2B3C17D_mP92_14_2e_8e_42e_e:K-Mo-O-S, expected K2Mo8SO42 to be K2Mo3SO17" +mp-557902,K3Mo2BrO7,-6.8245011173,-2.1166283196,0.0169239019,0.0169239019,GGA+U,P6_3/mmc,AB3C2D7_hP26_194_c_df_e_bk:Br-K-Mo-O,26.0,"Invalid WP multiplicities - AB3C2D7_hP26_194_c_2d2f_e_2b3k:Br-K-Mo-O, expected K6Mo2BrO20 to be K3Mo2BrO7" +mp-676601,K9(Mo6S7)8,-7.3365498029,-0.5911870742,0.4364391487,0.4364391487,GGA,P-3,A9B48C56_hP113_147_a2c2d_8g_4d8g:K-Mo-S,113.0,"Invalid WP multiplicities - A9B48C56_hP113_147_a4c4d_48g_8d47g:K-Mo-S, expected K17(Mo144S149)2 to be K9(Mo6S7)8" +mp-17980,K2MoS4,-5.4518940643,-1.2215729969,0.0,-0.0304136171,GGA,Pnma,A2BC4_oP28_62_2c_c_2cd:K-Mo-S,28.0,A2BC4_oP28_62_2c_c_2cd:K-Mo-S +mp-1193853,K2Mo(SO)2,-6.0474925579,-1.5856746778000002,0.1363847008,0.1363847008,GGA+U,P2_1/c,A2BC2D2_mP28_14_2e_e_2e_2e:K-Mo-O-S,28.0,A2BC2D2_mP28_14_2e_e_2e_2e:K-Mo-O-S +mp-1104357,K2Mo(SO)2,-6.05069737,-1.58887949,0.1331798886,0.1331798886,GGA+U,C2/c,A2BC2D2_mC28_15_f_e_f_f:K-Mo-O-S,14.0,A2BC2D2_mC28_15_f_e_f_f:K-Mo-O-S +mp-557872,K4MoS3O14,-6.5575086156,-2.1506796403,0.0,-0.0101625972,GGA+U,Pnma,A4BC14D3_oP88_62_2d_c_4c5d_cd:K-Mo-O-S,88.0,"Invalid WP multiplicities - A4BC14D3_oP88_62_6d_c_15c34d_3c3d:K-Mo-O-S, expected K12MoS9O83 to be K4MoS3O14" +mp-1224361,K(MoS)9,-8.0311604776,-0.8759342282,0.0666394232,0.0666394232,GGA,P6_3/m,AB9C9_hP38_176_c_hi_hi:K-Mo-S,38.0,"Invalid WP multiplicities - AB9C9_hP38_176_c_6h5i_6h5i:K-Mo-S, expected K(MoS)48 to be K(MoS)9" +mp-676371,K5(Mo6S7)4,-7.4646777567,-0.7687445348,0.2646735646,0.2646735646,GGA,P-3,A5B24C28_hP57_147_acd_4g_2d4g:K-Mo-S,57.0,"Invalid WP multiplicities - A5B24C28_hP57_147_a2c2d_19g_4d19g:K-Mo-S, expected K9(Mo57S61)2 to be K5(Mo6S7)4" +mp-558124,K2Mo(SO5)2,-6.7964883322,-2.0760726755,0.0,-0.0079401257,GGA+U,P2_1/c,A2BC10D2_mP60_14_2e_e_10e_2e:K-Mo-O-S,60.0,"Invalid WP multiplicities - A2BC10D2_mP60_14_6e_e_37e_4e:K-Mo-O-S, expected K6MoS4O37 to be K2Mo(SO5)2" +mp-29784,K2Mo9S11,-7.6396248977,-1.0335977423,0.0210143493,0.0210143493,GGA,R-3c,A2B9C11_hR132_167_c_ef_cef:K-Mo-S,44.0,"Invalid WP multiplicities - A2B9C11_hR132_167_c_ef_c3e3f:K-Mo-S, expected K2Mo9S29 to be K2Mo9S11" +mp-28037,Mo2SBr2,-6.8311089587,-1.0443476093,0.0,-0.0226425857,GGA,Cmcm,A2B2C_oC60_63_gh_fh_cf:Br-Mo-S,30.0,A2B2C_oC60_63_gh_fh_cf:Br-Mo-S +mp-1103534,K(Mo3S4)2,-7.6483473347,-1.0299540985,0.0438169767,0.0438169767,GGA,R-3,AB6C8_hR45_148_a_f_cf:K-Mo-S,15.0,AB6C8_hR45_148_a_f_cf:K-Mo-S +mp-29231,Mo3S3Br,-7.6322953614,-0.9895341813,0.0271375535,0.0271375535,GGA,R-3,AB3C3_hR42_148_c_f_f:Br-Mo-S,14.0,AB3C3_hR42_148_c_f_f:Br-Mo-S +mp-722560,Tl2Mo3PCO12,-7.3680700721,-1.5120453796,0.4856840921,0.4856840921,GGA+U,P1,AB3C12DE2_aP19_1_a_3a_12a_a_2a:C-Mo-O-P-Tl,19.0,AB3C12DE2_aP19_1_a_3a_12a_a_2a:C-Mo-O-P-Tl +mp-1180604,MoP4C13O2,-6.358761288,1.7594831601,2.1904925156,2.1904925156,GGA+U,Cmcm,A13BC2D4_oC80_63_cfg2h_c_g_fg:C-Mo-O-P,40.0,A13BC2D4_oC80_63_cfg2h_c_g_fg:C-Mo-O-P +mp-1203130,Cs2Sb2C4O9F4,-6.567564985,-1.8471086295,0.2473519383,0.2473519383,GGA,P-1,A4B2C4D9E2_aP42_2_4i_2i_4i_9i_2i:C-Cs-F-O-Sb,42.0,A4B2C4D9E2_aP42_2_4i_2i_4i_9i_2i:C-Cs-F-O-Sb +mp-1246470,GaSb2N3,-5.9810460246,0.068217855,0.2871568113,0.2871568113,GGA,C2/c,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Sb,24.0,AB3C2_mC48_15_f_2e2f_2f:Ga-N-Sb +mp-1212631,GaS2NO8,-6.0693419167,-1.1350918857,0.5499761525,0.5499761525,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Ga-N-O-S,12.0,ABC8D2_hP12_150_a_b_dg_d:Ga-N-O-S +mp-729632,ZnC4(NO3)2,-7.7035631465,-1.2014456313,0.1173056292,0.1173056292,GGA,Pnn2,A4B2C6D_oP52_34_2a2b2c_2c_6c_c:C-N-O-Zn,52.0,A4B2C6D_oP52_34_2a2b2c_2c_6c_c:C-N-O-Zn +mp-726874,ZnC2(N2O)4,-7.880770411,-0.801051155,0.0,-0.0162695762,GGA,P2_1/c,A2B8C4D_mP30_14_e_4e_2e_a:C-N-O-Zn,30.0,A2B8C4D_mP30_14_e_4e_2e_a:C-N-O-Zn +mp-729187,Zn2C4N16O,-7.2922412322,0.4366612331,0.6439870434,0.6439870434,GGA,P2_1/c,A4B16CD2_mP92_14_4e_16e_e_2e:C-N-O-Zn,92.0,A4B16CD2_mP92_14_4e_16e_e_2e:C-N-O-Zn +mp-1207468,ZnC4(N2O)4,-7.6734814365,-0.3409449762,0.3658648665,0.3658648665,GGA,I-42d,A4B8C4D_tI68_122_2d_2e_e_a:C-N-O-Zn,34.0,A4B8C4D_tI68_122_2d_2e_e_a:C-N-O-Zn +mp-1650004,Na3CoBSO7,-6.4607547719,-2.1131735187,0.1293397763,0.1293397763,GGA+U,P1,ABC3D7E_aP26_1_2a_2a_6a_14a_2a:B-Co-Na-O-S,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-S +mp-770831,Na3CoBSO7,-6.4633781152,-2.115796862,0.126716433,0.126716433,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-S,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-S +mp-5481,Na6CoS4,-3.9618124723,-1.0900607429,0.0481887496,0.0481887496,GGA,P6_3mc,AB6C4_hP22_186_b_2c_bc:Co-Na-S,22.0,"Invalid WP multiplicities - AB6C4_hP22_186_b_2c_b2c:Co-Na-S, expected Na6CoS7 to be Na6CoS4" +mp-780413,Na6Co2B4SO16,-6.7100008757000005,-2.1530069557,0.067986855,0.067986855,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Co-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:B-Co-Na-O-S, expected Na6Co2B4SO20 to be Na6Co2B4SO16" +mp-1193451,NaCo2(SO4)2,-6.2720501627,-1.3962370621,0.4205644455,0.4205644455,GGA+U,P-1,A2BC8D2_aP26_2_adi_i_8i_2i:Co-Na-O-S,26.0,A2BC8D2_aP26_2_adi_i_8i_2i:Co-Na-O-S +mp-1210308,Na6Co(SO4)4,-6.2162248763,-2.1148808614,0.0,-0.007650666,GGA+U,P2_1/c,AB6C16D4_mP54_14_a_3e_8e_2e:Co-Na-O-S,54.0,AB6C16D4_mP54_14_a_3e_8e_2e:Co-Na-O-S +mp-29308,Na5Co2S5,-4.4097442975,-0.9504516815,0.0907706165,0.0907706165,GGA,I4mm,A2B5C5_tI24_107_b_ac_ad:Co-Na-S,12.0,"Invalid WP multiplicities - A2B5C5_tI24_107_b_ac_a2d:Co-Na-S, expected Na5Co2S9 to be Na5Co2S5" +mp-1210905,Na2Co(SO6)2,-5.8277382385,-1.2755892591,0.2539935154,0.2539935154,GGA+U,P2_1/c,AB2C12D2_mP34_14_a_e_6e_e:Co-Na-O-S,34.0,AB2C12D2_mP34_14_a_e_6e_e:Co-Na-O-S +mp-8765,Na2CoS2,-4.501107876,-0.8958542529,0.1306138481,0.1306138481,GGA,Ibam,AB2C2_oI20_72_a_j_j:Co-Na-S,10.0,AB2C2_oI20_72_a_j_j:Co-Na-S +mp-19027,Na5CoSO2,-4.3693497844,-1.2859307232,0.0210808528,0.0210808528,GGA+U,P4/mmm,AB5C2D_tP9_123_b_ai_g_c:Co-Na-O-S,18.0,AB5C2D_tP9_123_b_ai_g_c:Co-Na-O-S +mp-1198856,Rb2FeH12(SO7)2,-5.7735203513,-1.6228641066,0.0,-0.0019865817,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Fe-H-O-Rb-S,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Fe-H-O-Rb-S +mp-1209476,Rb2Fe2(SO4)3,-6.5634148539,-1.7912714487,0.2177206563,0.2177206563,GGA+U,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Fe-O-Rb-S,76.0,A2B12C2D3_cP76_198_2a_4b_2a_b:Fe-O-Rb-S +mp-1209220,RbFe(SO4)2,-6.7340636625,-1.9593166036,0.0,-0.0013745713,GGA+U,P321,AB8CD2_hP12_150_a_dg_b_d:Fe-O-Rb-S,12.0,AB8CD2_hP12_150_a_dg_b_d:Fe-O-Rb-S +mp-863290,Rb5Fe3(SO5)6,-6.2023925832,-1.576663162,0.2155162536,0.2155162536,GGA+U,P2_1/c,A3B30C5D6_mP176_14_3e_30e_5e_6e:Fe-O-Rb-S,176.0,A3B30C5D6_mP176_14_3e_30e_5e_6e:Fe-O-Rb-S +mp-1182891,AlCNO5,-7.254858224999999,-1.4993357495,0.4452274001,0.4452274001,GGA,Cmcm,ABCD5_oC32_63_a_c_c_cfg:Al-C-N-O,16.0,ABCD5_oC32_63_a_c_c_cfg:Al-C-N-O +mp-1189152,AlCNO5,-6.503165825,-0.7476433495,1.1969198001,1.1969198001,GGA,Cmcm,ABCD5_oC32_63_a_c_c_cfg:Al-C-N-O,16.0,ABCD5_oC32_63_a_c_c_cfg:Al-C-N-O +mp-1103144,CBrN3O,-5.5594357675,1.230208784,1.7318711651,1.7318711651,GGA,P2_1,ABC3D_mP12_4_a_a_3a_a:Br-C-N-O,12.0,ABC3D_mP12_4_a_a_3a_a:Br-C-N-O +mp-10990,Al4CN3O,-6.8401841806,-0.8216128140000001,0.8835374916000001,0.8835374916000001,GGA,Cmc2_1,A4BC3D_oC36_36_2ab_a_ab_a:Al-C-N-O,18.0,"Invalid WP multiplicities - A4BC3D_oC36_36_2ab_a_2a3b_a:Al-C-N-O, expected Al4CN8O to be Al4CN3O" +mp-1229188,AlC2Br5(NO3)2,-4.3549888837,0.4150842777,1.6548870546,1.6548870546,GGA,I4/m,AB5C2D2E6_tI32_87_a_bg_e_e_eh:Al-Br-C-N-O,16.0,AB5C2D2E6_tI32_87_a_bg_e_e_eh:Al-Br-C-N-O +mp-1087519,C2BrNO,-6.933523535,-0.2748149448,0.3271799126,0.3271799126,GGA,P-1,AB2CD_aP10_2_i_2i_i_i:Br-C-N-O,10.0,AB2CD_aP10_2_i_2i_i_i:Br-C-N-O +mp-722050,C2BrNO,-1.202487455,5.4562211352,6.0582159926,6.0582159926,GGA,P-1,AB2CD_aP10_2_i_2i_i_i:Br-C-N-O,10.0,AB2CD_aP10_2_i_2i_i_i:Br-C-N-O +mp-1196181,AlC8BrO5,-7.4908755894,-0.5667841457,0.6636596914,0.6636596914,GGA,I4_1/amd,ABC8D5_tI240_141_f_h_2h3i_g2i:Al-Br-C-O,120.0,ABC8D5_tI240_141_f_h_2h3i_g2i:Al-Br-C-O +mp-22650,K2CaNi(NO2)6,-6.6301027895,-1.2034769469,0.1149617765,0.1149617765,GGA+U,Fm-3,AB2C6DE12_cF88_202_a_c_e_b_h:Ca-K-N-Ni-O,22.0,AB2C6DE12_cF88_202_a_c_e_b_h:Ca-K-N-Ni-O +mp-631619,KCaNi2,-3.031655535,0.6374125118,0.7792729930000001,0.7792729930000001,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-K-Ni,4.0,ABC2_cF16_225_a_b_c:Ca-K-Ni +mp-12431,BaBeF4,-6.1481058808,-3.930721935,0.0,-0.0724010406,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ba-Be-F,24.0,"Invalid WP multiplicities - ABC4_oP24_62_c_c_2c2d:Ba-Be-F, expected BaBeF6 to be BaBeF4" +mp-679630,Ba2BeS(OF)4,-6.0255414942,-2.7633345503,0.5560857971000001,0.5560857971000001,GGA,P2_1,A2BC4D4E_mP24_4_2a_a_4a_4a_a:Ba-Be-F-O-S,24.0,"Invalid WP multiplicities - A2BC4D4E_mP24_4_2a_a_7a_7a_a:Ba-Be-F-O-S, expected Ba2BeS(OF)7 to be Ba2BeS(OF)4" +mp-1209257,ScP2H5O9,-6.9025959024,-2.2765427997,0.0225494703,0.0225494703,GGA,P2_1/c,A5B9C2D_mP68_14_5e_9e_2e_e:H-O-P-Sc,68.0,A5B9C2D_mP68_14_5e_9e_2e_e:H-O-P-Sc +mp-24217,Sc2P3(HO3)3,-7.5655441476,-2.6477075438,0.0,-0.052847318,GGA,P6_3/m,A3B9C3D2_hP34_176_h_hi_h_f:H-O-P-Sc,34.0,"Invalid WP multiplicities - A3B9C3D2_hP34_176_h_h2i_h_f:H-O-P-Sc, expected Sc2P3(HO5)3 to be Sc2P3(HO3)3" +mp-696457,ScP3(HO2)6,-6.9378310736,-2.2883311905,0.0,-0.0052915539,GGA,R3c,A6B12C3D_hR132_161_2b_4b_b_a:H-O-P-Sc,44.0,A6B12C3D_hR132_161_2b_4b_b_a:H-O-P-Sc +mp-543042,ScP(H2O3)2,-6.9018882542,-2.3188209159,0.0,-3.11608e-05,GGA,P2_1/c,A4B6CD_mP48_14_4e_6e_e_e:H-O-P-Sc,48.0,A4B6CD_mP48_14_4e_6e_e_e:H-O-P-Sc +mp-543046,CsScP2(HO4)2,-7.3021423954,-2.7011825189,0.0,-0.0138722977,GGA,P2_1/c,AB2C8D2E_mP56_14_e_2e_8e_2e_e:Cs-H-O-P-Sc,56.0,AB2C8D2E_mP56_14_e_2e_8e_2e_e:Cs-H-O-P-Sc +mp-605935,K5Eu2Si4O13F,-7.6007951402,-3.0413670334,0.0,-0.0635638118,GGA,P2_1/m,A2BC5D13E4_mP50_11_2e_e_5e_5e4f_4e:Eu-F-K-O-Si,50.0,"Invalid WP multiplicities - A2BC5D13E4_mP50_11_3e_e_7e_10e14f_6e:Eu-F-K-O-Si, expected K7Eu3Si6O38F to be K5Eu2Si4O13F" +mp-1198799,K2EuSi4O10F,-7.9346803892,-3.1814893951,0.0,-0.0104471294,GGA,P2_1/m,ABC2D10E4_mP72_11_f_2e_4e_4e8f_4f:Eu-F-K-O-Si,72.0,ABC2D10E4_mP72_11_f_2e_4e_4e8f_4f:Eu-F-K-O-Si +mp-555060,K9Eu3Si12(O16F)2,-7.7012415481,-3.0808034623,0.0108878321,0.0108878321,GGA,P-1,A3B2C9D32E12_aP58_2_bi_i_d4i_16i_6i:Eu-F-K-O-Si,58.0,"Invalid WP multiplicities - A3B2C9D32E12_aP58_2_bi_i_d8i_32i_10i:Eu-F-K-O-Si, expected K17Eu3Si20(O32F)2 to be K9Eu3Si12(O16F)2" +mp-561529,KEu2Si4O10F,-8.5717890424,-3.3104534453,0.0,-0.0309869038,GGA,P2_1/c,A2BCD10E4_mP72_14_2e_e_e_10e_4e:Eu-F-K-O-Si,72.0,"Invalid WP multiplicities - A2BCD10E4_mP72_14_4e_e_e_39e_15e:Eu-F-K-O-Si, expected KEu4Si15O39F to be KEu2Si4O10F" +mp-1201795,RbFe3P3(O4F3)2,-7.0927071814,-2.632093433,0.0,-0.0081916036,GGA+U,C2/c,A6B3C8D3E_mC84_15_3f_cf_4f_ef_e:F-Fe-O-P-Rb,42.0,A6B3C8D3E_mC84_15_3f_af_4f_ef_e:F-Fe-O-P-Rb +mp-731573,Rb2FeOF5,-5.0950331817,-2.3244584146,0.2528905232,0.2528905232,GGA+U,Cmcm,A5BCD2_oC36_63_cfg_c_c_e:F-Fe-O-Rb,18.0,A5BCD2_oC36_63_cfg_c_c_e:F-Fe-O-Rb +mp-1209480,Rb2FeOF5,-5.0207314178,-2.2501566507,0.3271922871,0.3271922871,GGA+U,Cmcm,A5BCD2_oC36_63_cef_a_c_g:F-Fe-O-Rb,18.0,A5BCD2_oC36_63_cef_a_c_g:F-Fe-O-Rb +mp-772968,LiTlPHO3,-5.9746987014,-1.9864614588,0.0,-0.0166192709,GGA,C2,ABC3DE_mC28_5_c_c_3c_c_c:H-Li-O-P-Tl,14.0,"Invalid WP multiplicities - ABC3DE_mC28_5_c_c_5c_c_c:H-Li-O-P-Tl, expected LiTlPHO5 to be LiTlPHO3" +mp-754604,BaBePO4F,-7.4221782037,-3.3259376882,0.0,-0.0011734187,GGA,Cc,ABCD4E_mC32_9_a_a_a_4a_a:Ba-Be-F-O-P,16.0,"Invalid WP multiplicities - ABCD4E_mC32_9_a_a_a_8a_a:Ba-Be-F-O-P, expected BaBePO8F to be BaBePO4F" +mp-1227988,BaBe2(PO4)2,-7.7309377954,-3.1310981513,0.0,-0.0879622915,GGA,P-3m1,AB2C8D2_hP13_164_a_d_di_d:Ba-Be-O-P,13.0,AB2C8D2_hP13_164_a_d_di_d:Ba-Be-O-P +mp-1197925,Sr2GaP2(O4F)2,-7.0523048395,-3.0102944683,0.0606850041,0.0606850041,GGA,P2_1/c,A2BC8D2E2_mP60_14_2e_e_8e_2e_2e:F-Ga-O-P-Sr,60.0,A2BC8D2E2_mP60_14_2e_e_8e_2e_2e:F-Ga-O-P-Sr +mp-1229063,CsU(PO4)2,-8.2287078529,-3.0131305958,0.0244957581,0.0244957581,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Cs-O-P-U,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Cs-O-P-U +mp-559852,CsUGa(PO5)2,-7.977977136,-2.9440837673,0.0,-0.0207525225,GGA,P-1,ABC10D2E_aP30_2_i_i_10i_2i_i:Cs-Ga-O-P-U,30.0,"Invalid WP multiplicities - ABC10D2E_aP30_2_i_i_19i_2i_i:Cs-Ga-O-P-U, expected CsUGaP2O19 to be CsUGa(PO5)2" +mp-1200733,CsGa(PO3)4,-7.3310749598,-2.61235424,0.0,-0.0135078981,GGA,Pa-3,ABC12D4_cP216_205_ac_bc_6d_2d:Cs-Ga-O-P,216.0,ABC12D4_cP216_205_ac_bc_6d_2d:Cs-Ga-O-P +mp-1201643,Cs3U2PO10,-8.1481439806,-3.1388179334,0.0,-0.0341064205,GGA,C2/c,A3B10CD2_mC64_15_af_5f_e_bc:Cs-O-P-U,32.0,A3B10CD2_mC64_15_af_5f_e_bc:Cs-O-P-U +mp-971864,U2Ga2O5,-8.1917771389,-2.2615042921,0.6596832661,0.6596832661,GGA,P4/mmm,A2B5C2_tP9_123_h_ci_ab:Ga-O-U,9.0,"Invalid WP multiplicities - A2B5C2_tP9_123_h_c2i_ab:Ga-O-U, expected U2Ga2O9 to be U2Ga2O5" +mp-1193333,Cs2U(PO5)2,-7.5976719287,-2.7059581367,0.1027078844,0.1027078844,GGA,P2_1/c,A2B10C2D_mP30_14_e_5e_e_a:Cs-O-P-U,30.0,A2B10C2D_mP30_14_e_5e_e_a:Cs-O-P-U +mp-561356,Cs2UP2O9,-7.8970720346,-3.0092850226,0.0,-0.0643219564,GGA,Pmmn,A2B9C2D_oP56_59_ef_abef3g_ef_c:Cs-O-P-U,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_59_3e3f_2a2b4e4f17g_2ef_c:Cs-O-P-U, expected Cs6UP3O44 to be Cs2UP2O9" +mp-1200035,CsU2(PO4)4,-8.2920844604,-2.8886735127,0.122611175,0.122611175,GGA,C2/c,AB16C4D2_mC92_15_e_8f_2f_f:Cs-O-P-U,46.0,AB16C4D2_mC92_15_e_8f_2f_f:Cs-O-P-U +mp-572741,CsUP3O11,-8.0929409616,-2.9154224787,0.0,-0.0692954196,GGA,P2_1/c,AB11C3D_mP64_14_e_11e_3e_e:Cs-O-P-U,64.0,"Invalid WP multiplicities - AB11C3D_mP64_14_e_41e_7e_e:Cs-O-P-U, expected CsUP7O41 to be CsUP3O11" +mp-562504,Cs2GaP3O10,-7.0653559325,-2.6574999701,0.0,-0.0115215178,GGA,P2_1/c,A2BC10D3_mP64_14_2e_e_10e_3e:Cs-Ga-O-P,64.0,"Invalid WP multiplicities - A2BC10D3_mP64_14_3e_e_37e_10e:Cs-Ga-O-P, expected Cs3GaP10O37 to be Cs2GaP3O10" +mp-555006,CsGa2P5O16,-7.3309609706,-2.6157473735,0.0,-0.0082022583,GGA,Pc,AB2C16D5_mP48_7_a_2a_16a_5a:Cs-Ga-O-P,48.0,"Invalid WP multiplicities - AB2C16D5_mP48_7_a_4a_31a_10a:Cs-Ga-O-P, expected CsGa4P10O31 to be CsGa2P5O16" +mp-1077144,CdHgS4,-2.9375083167,0.0245532821,0.4905800585,0.4905800585,GGA,I-4,ABC4_tI12_82_a_c_g:Cd-Hg-S,6.0,ABC4_tI12_82_a_c_g:Cd-Hg-S +mp-1181848,CdHgS4,-3.2712155567,-0.3091539579,0.1568728185,0.1568728185,GGA,I-4,ABC4_tI12_82_a_c_g:Cd-Hg-S,6.0,ABC4_tI12_82_a_c_g:Cd-Hg-S +mp-560904,CdHg2SO6,-4.9212407655,-1.3865575031,0.0,-0.032117506,GGA,P-1,AB2C6D_aP20_2_i_2i_6i_i:Cd-Hg-O-S,20.0,"Invalid WP multiplicities - AB2C6D_aP20_2_i_3i_10i_i:Cd-Hg-O-S, expected CdHg3SO10 to be CdHg2SO6" +mp-1213924,Cd2Hg2H(SO5)2,-5.0481881535,-1.3078556158,0.2305936066,0.2305936066,GGA,P2/c,A2BC2D10E2_mP34_13_g_f_ae_5g_g:Cd-H-Hg-O-S,34.0,A2BC2D10E2_mP34_13_g_f_ae_5g_g:Cd-H-Hg-O-S +mp-1195970,Cd2Hg2S2O11,-5.175896765,-1.3441546587,0.1179169377,0.1179169377,GGA,P2/c,A2B2C11D2_mP34_13_g_ae_f5g_g:Cd-Hg-O-S,34.0,A2B2C11D2_mP34_13_g_ae_f5g_g:Cd-Hg-O-S +mp-696152,CuSnH12(NO3)2,-5.3685364795,-1.0424176985,0.0479328608,0.0479328608,GGA,P-1,AB12C2D6E_aP22_2_a_6i_i_3i_b:Cu-H-N-O-Sn,22.0,AB12C2D6E_aP22_2_a_6i_i_3i_b:Cu-H-N-O-Sn +mp-939487,CuSnH12(NO3)2,-4.642315385,-0.316196604,0.7741539554,0.7741539554,GGA,P-1,AB12C2D6E_aP22_2_a_6i_i_3i_c:Cu-H-N-O-Sn,22.0,AB12C2D6E_aP22_2_a_6i_i_3i_c:Cu-H-N-O-Sn +mp-705520,Sn3H4(NO5)2,-6.0600238396,-1.2316292761,0.2846267634,0.2846267634,GGA,P2_1/c,A4B2C10D3_mP76_14_4e_2e_10e_3e:H-N-O-Sn,76.0,A4B2C10D3_mP76_14_4e_2e_10e_3e:H-N-O-Sn +mp-40161,NaHf2(PO4)3,-8.6321322919,-3.2522947693,0.0,-0.0559074102,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Hf-Na-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_5f_e:Hf-Na-O-P, expected NaHf2(PO10)3 to be NaHf2(PO4)3" +mp-1223505,KNaHf4(PO4)6,-8.6304935661,-3.2565484419,0.0,-0.0291882647,GGA,R-3,A4BCD24E6_hR108_148_2c_a_b_4f_f:Hf-K-Na-O-P,36.0,"Invalid WP multiplicities - A4BCD24E6_hR108_148_4c_a_b_8f_f:Hf-K-Na-O-P, expected KNaHf8(PO8)6 to be KNaHf4(PO4)6" +mp-1522178,NaSrYWO6,-8.112660258,-2.9009850222,0.0416530823,0.0416530823,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Na-O-Sr-W-Y +mp-772754,Li3YbPCO7,-7.0442598496,-2.6954009375,0.0821416198,0.0821416198,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-Yb,,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Li-O-P-Yb, expected Li5YbPCO13 to be Li3YbPCO7" +mp-561390,LiYb(PO3)4,-7.4219703933,-2.7296367429,0.0024396399,0.0024396399,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Yb,,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_3f_e:Li-O-P-Yb, expected LiYb(P3O23)2 to be LiYb(PO3)4" +mp-1101254,V3Cr2Cu(PO4)6,-8.0634575025,-2.4563085044,0.3393687612,0.3393687612,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Cu-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cr-Cu-O-P-V, expected V3Cr2Cu(PO10)6 to be V3Cr2Cu(PO4)6" +mp-694911,BaCaBO3F,-7.3558943219,-3.4479640802,0.0066573775,0.0066573775,GGA,P1,ABCDE3_aP21_1_3a_3a_3a_3a_9a:B-Ba-Ca-F-O,21.0,ABCDE3_aP21_1_3a_3a_3a_3a_9a:B-Ba-Ca-F-O +mp-6632,Ca5B3O9F,-7.6300025594,-3.3801218883,0.0,-0.0132974899,GGA,Cm,A3B5CD9_mC36_8_ab_a2b_a_a4b:B-Ca-F-O,18.0,"Invalid WP multiplicities - A3B5CD9_mC36_8_a2b_a3b_a_a7b:B-Ca-F-O, expected Ca7B5O15F to be Ca5B3O9F" +mp-756494,Na3GePCO7,-6.6664732492,-2.2157507328,0.0543731469,0.0543731469,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Ge-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Ge-Na-O-P, expected Na5GePCO13 to be Na3GePCO7" +mp-768125,Na3GePCO7,-6.6504966335,-2.1997741171,0.0703497627,0.0703497627,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Ge-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Ge-Na-O-P, expected Na4GePCO13 to be Na3GePCO7" +mp-768132,Na2GePCO7,-6.8836972133,-2.172291595,0.0942126122,0.0942126122,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ge-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ge-Na-O-P, expected Na2GePCO13 to be Na2GePCO7" +mp-558862,NaGe4(PO4)3,-7.0563163205,-2.2855758821,0.0,-0.0538131115,GGA,R3c,A4BC12D3_hR120_161_ab_a_4b_b:Ge-Na-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_hR120_161_2a2b_a_23b_b:Ge-Na-O-P, expected NaGe8(PO23)3 to be NaGe4(PO4)3" +mp-542919,NaGe2(PO4)3,-7.2668893594,-2.4797364118000003,0.0,-0.0183368071,GGA,R-3,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-Na-O-P,36.0,A2BC12D3_hR108_148_2c_ab_4f_f:Ge-Na-O-P +mp-1021514,NaGe2(PO4)3,-7.2630724989,-2.4759195512,0.0038168606,-0.0145199465,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Ge-Na-O-P,36.0,A2BC12D3_hR108_167_c_b_2f_e:Ge-Na-O-P +mp-768143,NaGePCO7,-7.2314505918,-2.211964944,0.0399238835,0.0399238835,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ge-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ge-Na-O-P, expected NaGePCO13 to be NaGePCO7" +mp-1522610,KPrMnWO6,-8.284600996,-2.5154427468,0.106339869,0.106339869,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Mn-O-Pr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Mn-O-Pr-W +mp-767573,Na2ErPCO7,-7.4754338687,-2.7686373375,0.0264949636,0.0264949636,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Er-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Er-Na-O-P, expected Na2ErPCO13 to be Na2ErPCO7" +mp-1517800,KPrZnWO6,-7.429336053,-2.450404972,0.133713667,0.133713667,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-W-Zn,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-W-Zn +mp-1192074,CuC3N2O5,-7.3609919782,-0.7072068369000001,0.4998458438,0.4998458438,GGA,P-1,A3BC2D5_aP22_2_3i_i_2i_5i:C-Cu-N-O,22.0,A3BC2D5_aP22_2_3i_i_2i_5i:C-Cu-N-O +mp-726261,CuC3N2O5,-7.3058095823,-0.652024441,0.5550282397,0.5550282397,GGA,P-1,A3BC2D5_aP22_2_3i_i_2i_5i:C-Cu-N-O,22.0,A3BC2D5_aP22_2_3i_i_2i_5i:C-Cu-N-O +mp-1195678,BaC2(NO)2,-8.2505337726,-1.5444376015,0.0,-0.0805969075,GGA,R-3c,AB2C2D2_hR126_167_ac_f_f_f:Ba-C-N-O,42.0,AB2C2D2_hR126_167_ac_f_f_f:Ba-C-N-O +mp-1182624,CuC4(NO5)2,-7.1780210085,-0.8748595025,0.5486744776,0.5486744776,GGA,P-1,A4BC2D10_aP34_2_4i_be_2i_10i:C-Cu-N-O,34.0,A4BC2D10_aP34_2_4i_be_2i_10i:C-Cu-N-O +mp-1199388,CuC4(NO5)2,-7.0310779053,-0.7279163993000001,0.6956175808,0.6956175808,GGA,P-1,A4BC2D10_aP34_2_4i_bd_2i_10i:C-Cu-N-O,34.0,A4BC2D10_aP34_2_4i_bd_2i_10i:C-Cu-N-O +mp-1354568,CuC4(NO5)2,-1.8046490947,4.4985124113,5.9220463914,5.9220463914,GGA,P-1,A4BC2D10_aP34_2_4i_be_2i_10i:C-Cu-N-O,34.0,A4BC2D10_aP34_2_4i_be_2i_10i:C-Cu-N-O +mp-1181573,CuC2(NO3)2,-7.1172942845,-0.8527797598,0.3815851558,0.3815851558,GGA,P-1,A2BC2D6_aP11_2_i_a_i_3i:C-Cu-N-O,11.0,A2BC2D6_aP11_2_i_a_i_3i:C-Cu-N-O +mp-1021669,Ba2CuC(NO)2,-6.9396454687,-1.4731218044,0.1325000026,0.1325000026,GGA,P4/mmm,A2BCD2E2_tP8_123_h_a_b_g_e:Ba-C-Cu-N-O,8.0,A2BCD2E2_tP8_123_h_a_b_g_e:Ba-C-Cu-N-O +mp-726154,BaC2(N3O2)2,-7.8967273254,-0.95964807,0.2781259679,0.2781259679,GGA,C2,AB2C6D4_mC26_5_a_c_3c_2c:Ba-C-N-O,13.0,AB2C6D4_mC26_5_a_c_3c_2c:Ba-C-N-O +mp-1182274,CuC4(NO2)4,-7.1340592118,-0.4320969747,0.8175575653,0.8175575653,GGA,P2_1/c,A4BC4D8_mP34_14_2e_a_2e_4e:C-Cu-N-O,34.0,A4BC4D8_mP34_14_2e_a_2e_4e:C-Cu-N-O +mp-1523222,KFeBiWO6,-7.395653666,-1.7897364875,0.184555951,0.184555951,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Bi-Fe-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Bi-Fe-K-O-W +mp-1104363,K3ScV2O8,-7.5174081407,-2.7027661567,0.0,-0.0199549195,GGA+U,P-3m1,A3B8CD2_hP14_164_ad_di_b_d:K-O-Sc-V,14.0,A3B8CD2_hP14_164_ad_di_b_d:K-O-Sc-V +mp-1211745,K2RbScV2O8,-7.514599615,-2.7092336935,0.0,-0.0123098633,GGA+U,P-3m1,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Sc-V,14.0,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Sc-V +mp-1209347,Rb3ScV2O8,-7.4720529736,-2.685239177,0.0,-0.01044882,GGA+U,P-3m1,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Sc-V,14.0,A8B3CD2_hP14_164_di_ad_b_d:O-Rb-Sc-V +mp-1199926,Cs2MnSO4F3,-6.2080059789,-2.5161458288,0.0,-0.04485665,GGA+U,P2_1/c,A2B3CD4E_mP44_14_2e_3e_ab_4e_e:Cs-F-Mn-O-S,44.0,A2B3CD4E_mP44_14_2e_3e_ad_4e_e:Cs-F-Mn-O-S +mp-557747,K2SrP2O7,-7.0383605731,-2.9247174615,0.0,-0.016801331,GGA,P2_1/c,A2B7C2D_mP48_14_2e_7e_2e_e:K-O-P-Sr,48.0,"Invalid WP multiplicities - A2B7C2D_mP48_14_5e_23e_7e_e:K-O-P-Sr, expected K5SrP7O23 to be K2SrP2O7" +mp-561223,K2Sr3Mn2(P2O7)3,-7.6873712043,-2.9234421803,0.0001498388,0.0001498388,GGA+U,P2_1,A2B2C21D6E3_mP68_4_2a_2a_21a_6a_3a:K-Mn-O-P-Sr,68.0,"Invalid WP multiplicities - A2B2C21D6E3_mP68_4_2a_3a_41a_10a_5a:K-Mn-O-P-Sr, expected K2Sr5Mn3P10O41 to be K2Sr3Mn2(P2O7)3" +mp-558990,K2Sr(PO3)4,-7.3112059737,-2.8415340837,0.0,-0.0065638363,GGA,I-4,A2B12C4D_tI38_82_f_3g_g_a:K-O-P-Sr,19.0,"Invalid WP multiplicities - A2B12C4D_tI38_82_f_7g_g_a:K-O-P-Sr, expected K2Sr(PO7)4 to be K2Sr(PO3)4" +mp-17975,KSrPO4,-7.06280634,-3.0628135183,0.0,-0.0389121048,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:K-O-P-Sr,28.0,AB4CD_oP28_62_c_2cd_c_c:K-O-P-Sr +mp-686253,K2YbTi(PO4)3,-7.5224740928,-2.9300493430000003,0.0066391814,0.0066391814,GGA,P1,A2B12C3DE_aP152_1_16a_96a_24a_8a_8a:K-O-P-Ti-Yb,,A2B12C3DE_aP152_1_16a_96a_24a_8a_8a:K-O-P-Ti-Yb +mp-1224614,K2YbTi(PO4)3,-7.5254034047,-2.9329786550000003,0.0037098694,0.0037098694,GGA,P2_13,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Ti-Yb,,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Ti-Yb +mp-1193717,TiCuNO4F7,-4.7230197043,-0.9017124736,1.02598945,1.02598945,GGA,P4/n,AB7CD4E_tP28_85_c_a2cg_b_g_c:Cu-F-N-O-Ti,28.0,AB7CD4E_tP28_85_c_a2cg_b_g_c:Cu-F-N-O-Ti +mp-1191611,TiCu(O2F3)2,-5.0378284358,-1.4336344911,0.5647653204,0.5647653204,GGA,P2_1/c,AB6C4D_mP24_14_a_3e_2e_d:Cu-F-O-Ti,24.0,AB6C4D_mP24_14_a_3e_2e_b:Cu-F-O-Ti +mp-1232316,TiCu2N3,-6.906450065,-0.0558850431,0.5764496617,0.5764496617,GGA,P4/mmm,A2B3C_tP6_123_e_bf_a:Cu-N-Ti,6.0,"Invalid WP multiplicities - A2B3C_tP6_123_e_b2f_a:Cu-N-Ti, expected TiCu2N5 to be TiCu2N3" +mp-767214,Li2AlPCO7,-7.3919498896,-2.6559323445,0.0292790054,0.0292790054,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Al-C-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Al-C-Li-O-P, expected Li2AlPCO13 to be Li2AlPCO7" +mp-760018,V3Cu2Te(PO4)6,-7.6106037717,-2.3385542841,0.0395177495,0.0395177495,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Te-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cu-O-P-Te-V, expected V3Cu2Te(PO10)6 to be V3Cu2Te(PO4)6" +mp-1207485,Y2MgTiO6,-8.892088409,-3.6812037529,0.0179074373,0.0179074373,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mg-O-Ti-Y,20.0,AB6CD2_mP20_14_a_3e_b_e:Mg-O-Ti-Y +mp-1037668,YMg30TiO32,-6.4375971773,-2.9897158744,0.0763092232,0.0763092232,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Ti-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Ti-Y, expected YMg90TiO80 to be YMg30TiO32" +mp-1037674,YMg30TiO32,-6.4363197252,-2.9884384222,0.0775866754,0.0775866754,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Ti-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Ti-Y, expected YMg110TiO72 to be YMg30TiO32" +mp-1247396,YMg2Ti3S8,-6.4759400164,-1.7298610023,0.0881028039,0.0881028039,GGA,R-3m,A2B8C3D_hR42_166_c_ch_d_a:Mg-S-Ti-Y,14.0,"Invalid WP multiplicities - A2B8C3D_hR42_166_c_2c2h_d_a:Mg-S-Ti-Y, expected YMg2Ti3S16 to be YMg2Ti3S8" +mp-1032741,YMg6TiO8,-6.8419061738,-2.8708341038,0.2311453884,0.2311453884,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Ti-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Ti-Y, expected YMg6TiO12 to be YMg6TiO8" +mp-1032742,YMg6TiO8,-6.7842064269,-2.8131343569,0.2888451353,0.2888451353,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Ti-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Ti-Y, expected YMg6TiO12 to be YMg6TiO8" +mp-1035993,YMg14TiO16,-6.552322875,-2.9300446497,0.1479652461,0.1479652461,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Ti-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Ti-Y, expected YMg18TiO20 to be YMg14TiO16" +mp-1035958,YMg14TiO16,-6.5516640872,-2.9293858619,0.1486240339,0.1486240339,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Ti-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Ti-Y, expected YMg30TiO32 to be YMg14TiO16" +mp-1246925,Y3Mg2TiS8,-6.5462842286,-2.0043510577,0.0526185996,0.0526185996,GGA,R-3m,A2B8CD3_hR42_166_c_ch_a_d:Mg-S-Ti-Y,14.0,"Invalid WP multiplicities - A2B8CD3_hR42_166_c_2c3h_a_d:Mg-S-Ti-Y, expected Y3Mg2TiS22 to be Y3Mg2TiS8" +mp-1246823,YMgTiS4,-6.5000547457,-1.8560486532,0.0814180786,0.0814180786,GGA,Imma,AB4CD_oI28_74_e_hi_a_c:Mg-S-Ti-Y,14.0,"Invalid WP multiplicities - AB4CD_oI28_74_e_3h3i_a_c:Mg-S-Ti-Y, expected YMgTiS12 to be YMgTiS4" +mp-1028041,YMg14Ti,-2.2532189319,0.0446488075,0.0840745678,0.0840745678,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ti-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ti-Y, expected YMg18Ti to be YMg14Ti" +mp-1028032,YMg14Ti,-2.2382070013,0.0596607381,0.0990864984,0.0990864984,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ti-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ti-Y, expected YMg26Ti to be YMg14Ti" +mp-2224274,Y2MgTi2S2O5,-8.2698162942,-2.9922704942,0.1780994721,0.1780994721,GGA,I-4m2,AB5C2D2E2_tI24_119_c_a2f_e_e_e:Mg-O-S-Ti-Y,12.0,AB5C2D2E2_tI24_119_c_a2f_e_e_e:Mg-O-S-Ti-Y +mp-2227836,Y2MgTi2S2O5,-8.1682549175,-2.8907091175,0.2796608487,0.2796608487,GGA,I4/mmm,AB5C2D2E2_tI24_139_a_bg_e_e_e:Mg-O-S-Ti-Y,12.0,AB5C2D2E2_tI24_139_a_bg_e_e_e:Mg-O-S-Ti-Y +mp-1022818,YMg6Ti,-2.8960133725,0.0994420562,0.153963167,0.153963167,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ti-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Ti-Y, expected YMg12Ti to be YMg6Ti" +mp-1023001,YMg6Ti,-2.8803535238,0.115101905,0.1696230158,0.1696230158,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ti-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ti-Y, expected YMg12Ti to be YMg6Ti" +mp-759710,V3CrSb2(PO4)6,-7.9639205406,-2.5093896442,0.0598788833,0.0598788833,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Cr-O-P-Sb-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Cr-O-P-Sb-V, expected V3CrSb2(PO10)6 to be V3CrSb2(PO4)6" +mp-1176676,Mn3VCu2(PO4)6,-7.7130940239,-2.2695187629,0.0586253991,0.0586253991,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cu-Mn-O-P-V, expected Mn3VCu2(PO10)6 to be Mn3VCu2(PO4)6" +mp-776003,Mn2V3Cu(PO4)6,-8.0728950222,-2.4930255896,0.0157002724,0.0157002724,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cu-Mn-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Cu-Mn-O-P-V, expected Mn2V3Cu(PO10)6 to be Mn2V3Cu(PO4)6" +mp-867991,MnV3Cu2(PO4)6,-7.8390776956,-2.3998418358,0.0282023778,0.0282023778,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cu-Mn-O-P-V, expected MnV3Cu2(PO10)6 to be MnV3Cu2(PO4)6" +mp-1207906,V2Fe2Pb(O4F)2,-7.6537593073,-2.1726280237,0.0314766297,0.0314766297,GGA+U,C2/m,A2B2C8DE2_mC30_12_i_f_2ij_a_i:F-Fe-O-Pb-V,15.0,A2B2C8DE2_mC30_12_i_e_2ij_a_i:F-Fe-O-Pb-V +mp-778282,LiMnB3(HO3)3,-7.1148640226,-2.0673646104,0.0947430642,0.0947430642,GGA+U,Pbcn,A3B3CDE9_oP136_60_3d_3d_2c_d_9d:B-H-Li-Mn-O,136.0,"Invalid WP multiplicities - A3B3CDE9_oP136_60_9d_9d_6c_d_33d:B-H-Li-Mn-O, expected Li3MnB9(H3O11)3 to be LiMnB3(HO3)3" +mp-1196077,MnB10(H13O4)2,-5.2555114692,-0.7279488057,0.1881048827,0.1881048827,GGA+U,C2/c,A10B26CD8_mC180_15_5f_13f_c_4f:B-H-Mn-O,90.0,A10B26CD8_mC180_15_5f_13f_a_4f:B-H-Mn-O +mp-1194831,MnB12(H5O12)2,-7.4704208478,-2.3222824209,0.0033852285,0.0033852285,GGA+U,P2_1/c,A12B10CD24_mP94_14_6e_5e_a_12e:B-H-Mn-O,94.0,A12B10CD24_mP94_14_6e_5e_a_12e:B-H-Mn-O +mp-9497,Pr2C(NO)2,-8.8297729914,-2.3502238093,0.0,-0.2879012496,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Pr,7.0,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Pr +mp-1198772,SiC4(NO)4,-8.3760764408,-1.0320214758,0.1306806829,0.1306806829,GGA,P2_1/c,A4B4C4D_mP52_14_4e_4e_4e_e:C-N-O-Si,52.0,A4B4C4D_mP52_14_4e_4e_4e_e:C-N-O-Si +mp-1201218,Si9C8NO19,-7.6068244315,-1.5262631707,0.9302877024,0.9302877024,GGA,P2/c,A8BC19D9_mP74_13_4g_e_e9g_f4g:C-N-O-Si,74.0,A8BC19D9_mP74_13_4g_e_e9g_f4g:C-N-O-Si +mp-727207,Si9C4NO18,-8.1136026181,-2.3911208691,0.3662812061,0.3662812061,GGA,C2,A4BC18D9_mC128_5_4c_c_2a17c_2b8c:C-N-O-Si,64.0,A4BC18D9_mC128_5_4c_c_2a17c_2b8c:C-N-O-Si +mp-1186715,Pr2SiC(NO2)2,-8.72904601,-2.6614920373,0.0,-0.024427711,GGA,P-1,AB2C4D2E_aP20_2_i_2i_4i_2i_i:C-N-O-Pr-Si,20.0,AB2C4D2E_aP20_2_i_2i_4i_2i_i:C-N-O-Pr-Si +mp-1219677,Si9C10NO18,-8.0295463603,-1.7534566518,0.5685661484,0.5685661484,GGA,Cm,A10BC18D9_mC152_8_8a6b_b_6a15b_9b:C-N-O-Si,76.0,"Invalid WP multiplicities - A10BC18D9_mC152_8_8a8b_b_6a26b_18b:C-N-O-Si, expected Si18C12NO29 to be Si9C10NO18" +mp-1219842,Pr3SiN3O2,-8.3496478889,-2.2751037231,0.0357374055,0.0357374055,GGA,Fmm2,A3B2C3D_oF72_42_ce_cd_2abd_c:N-O-Pr-Si,18.0,"Invalid WP multiplicities - A3B2C3D_oF72_42_2c2e_cd_2abd_c:N-O-Pr-Si, expected Pr3Si(N3O)2 to be Pr3SiN3O2" +mp-1204030,Si6C8N2O19,-7.0128680443,-0.8116878305,1.4001175663,1.4001175663,GGA,Iba2,A8B2C19D6_oI140_45_4c_c_a9c_3c:C-N-O-Si,70.0,A8B2C19D6_oI140_45_4c_c_a9c_3c:C-N-O-Si +mp-1197707,Si6C8N2O19,-6.910943488,-0.7097632742000001,1.5020421226,1.5020421226,GGA,Ima2,A8B2C19D6_oI140_46_4b2c_2b_a2b8c_2a2c:C-N-O-Si,70.0,A8B2C19D6_oI140_46_4b2c_2b_a2b8c_2a2c:C-N-O-Si +mp-1205275,Si3C10NO7,-7.9302711536,-0.7147509193,0.8122873997000001,0.8122873997000001,GGA,Pca2_1,A10BC7D3_oP84_29_10a_a_7a_3a:C-N-O-Si,84.0,A10BC7D3_oP84_29_10a_a_7a_3a:C-N-O-Si +mp-1205660,NaIn(NF3)2,-3.895943904,-0.6743366362000001,1.0665706643,1.0665706643,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-In-N-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-In-N-Na +mp-1204788,InH12(NF2)3,-5.0317975997,-1.3980360156,0.0,-0.0097594481,GGA,P2_1/c,A6B12CD3_mP88_14_6e_12e_ad_3e:F-H-In-N,88.0,A6B12CD3_mP88_14_6e_12e_ab_3e:F-H-In-N +mp-643394,NaInH8(NF3)2,-4.9561581461,-1.6584980884,0.0278713361,0.0278713361,GGA,Fm-3m,A6B8CD2E_cF72_225_e_f_a_c_b:F-H-In-N-Na,18.0,A6B8CD2E_cF72_225_e_f_a_c_b:F-H-In-N-Na +mp-733932,InH5(NF)2,-5.155129746,-1.134003572,0.0,-0.0331954356,GGA,P2_1/c,A2B5CD2_mP40_14_2e_5e_e_2e:F-H-In-N,40.0,A2B5CD2_mP40_14_2e_5e_e_2e:F-H-In-N +mp-1245588,NaInN,-4.0748600783,0.0620412378,0.2888876528,0.2888876528,GGA,P6_3mc,ABC_hP6_186_a_b_b:In-N-Na,6.0,ABC_hP6_186_a_b_b:In-N-Na +mp-1245471,Na3InN2,-3.8897499548,0.0089582886,0.2290822188,0.2290822188,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:In-N-Na,48.0,AB2C3_cI96_206_c_ad_e:In-N-Na +mp-1224075,K2PtBr6,-3.0806966133,-1.1240187029,0.2831465167,0.1297651436,GGA,Immm,A6B2C_oI18_71_fn_g_a:Br-K-Pt,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f2n_g_a:Br-K-Pt, expected K2PtBr12 to be K2PtBr6" +mp-27691,K2PtBr6,-3.36384313,-1.4071652196,0.0,-0.1533813731,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-K-Pt,9.0,A6B2C_cF36_225_e_c_a:Br-K-Pt +mp-726258,P4PtBrO10,-6.607708765,-1.6861925907000002,0.5086628552,0.5086628552,GGA,P2_1/c,AB10C4D_mP64_14_e_10e_4e_e:Br-O-P-Pt,64.0,AB10C4D_mP64_14_e_10e_4e_e:Br-O-P-Pt +mp-1226443,K2P4PtBrO11,-6.5719788013,-2.0503079911,0.315476427,0.315476427,GGA,Fmm2,AB2C11D4E_oF152_42_c_bd_3d4e_2e_c:Br-K-O-P-Pt,38.0,"Invalid WP multiplicities - AB2C11D4E_oF152_42_c_bd_4d13e_6e_c:Br-K-O-P-Pt, expected K2P12PtBrO30 to be K2P4PtBrO11" +mp-1189674,K2Pt(Br2O)2,-3.5377188217,-0.8268941598,0.5355016681,0.5355016681,GGA,Pbam,A4B2C2D_oP18_55_2g_h_h_a:Br-K-O-Pt,18.0,A4B2C2D_oP18_55_2g_h_h_a:Br-K-O-Pt +mp-27243,K2PtBr4,-3.5618892214,-1.4898828594,0.0063338421,0.0063338421,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Br-K-Pt,7.0,A4B2C_tP7_123_j_e_a:Br-K-Pt +mp-1225115,KU11(GeO19)2,-9.5130187164,-3.3104007204,0.062896201,0.062896201,GGA,P-31c,A2BC38D11_hP104_163_e_c_ab6i_fhi:Ge-K-O-U,104.0,A2BC38D11_hP104_163_e_c_ab6i_fhi:Ge-K-O-U +mp-1213318,EuUO3,-10.778753366,-3.5010577772,0.005563184,0.005563184,GGA,Pnma,AB3C_oP20_62_c_cd_a:Eu-O-U,20.0,AB3C_oP20_62_c_cd_a:Eu-O-U +mp-1194519,K4Eu2U(GeO4)4,-7.5745225863,-2.615776653,0.0,-0.0189436746,GGA,P-1,A2B4C4D16E_aP27_2_i_2i_2i_8i_a:Eu-Ge-K-O-U,27.0,A2B4C4D16E_aP27_2_i_2i_2i_8i_a:Eu-Ge-K-O-U +mp-1227653,Ca4Be4P4O17F3,-7.4155263131,-3.2136073756,0.0369907403,0.0369907403,GGA,P1,A4B4C3D17E4_aP32_1_4a_4a_3a_17a_4a:Be-Ca-F-O-P,32.0,A4B4C3D17E4_aP32_1_4a_4a_3a_17a_4a:Be-Ca-F-O-P +mp-1227534,Ca2Be2P2O9F,-7.4036755312,-3.1069062892,0.0670217457,0.0670217457,GGA,Pc,A2B2CD9E2_mP32_7_2a_2a_a_9a_2a:Be-Ca-F-O-P,32.0,"Invalid WP multiplicities - A2B2CD9E2_mP32_7_3a_3a_a_13a_3a:Be-Ca-F-O-P, expected Ca3Be3P3O13F to be Ca2Be2P2O9F" +mp-6899,CaBePO4F,-7.4280441497,-3.3209755167,0.0062926803,0.0062926803,GGA,P2_1/c,ABCD4E_mP32_14_e_e_e_4e_e:Be-Ca-F-O-P,32.0,"Invalid WP multiplicities - ABCD4E_mP32_14_e_e_e_11e_e:Be-Ca-F-O-P, expected CaBePO11F to be CaBePO4F" +mp-679928,Rb3Pr2(NO3)9,-6.8636884365,-1.4711893327,0.0,-0.0295253296,GGA,P4_332,A9B27C2D3_cP164_212_de_d4e_c_d:N-O-Pr-Rb,164.0,"Invalid WP multiplicities - A9B27C2D3_cP164_212_6d7e_11d79e_c_d:N-O-Pr-Rb, expected Rb3Pr2(N20O169)3 to be Rb3Pr2(NO3)9" +mp-1202512,PrH12(NO5)3,-6.0254080244,-1.3575553231,0.0,-0.0038622645,GGA,P-1,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Pr,62.0,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Pr +mp-1199123,PrH16N7O19,-6.0335473097,-1.117103764,0.0902940955,0.0902940955,GGA,Cc,A16B7C19D_mC172_9_16a_7a_19a_a:H-N-O-Pr,86.0,A16B7C19D_mC172_9_16a_7a_19a_a:H-N-O-Pr +mp-1202266,Rb2PrH8N5O19,-6.2311769123,-1.3867957009,0.0160489496,0.0160489496,GGA,Cc,A8B5C19DE2_mC140_9_8a_5a_19a_a_2a:H-N-O-Pr-Rb,70.0,A8B5C19DE2_mC140_9_8a_5a_19a_a_2a:H-N-O-Pr-Rb +mp-722330,Li3La2H6(N3O10)3,-6.6109914211,-1.4233063263,0.0014921014,0.0014921014,GGA,P2_13,A6B2C3D9E30_cP200_198_2b_2a_b_3b_10b:H-La-Li-N-O,200.0,A6B2C3D9E30_cP200_198_2b_2a_b_3b_10b:H-La-Li-N-O +mp-1199223,LaH16N7O19,-6.047874503,-1.1278239492,0.0861430938,0.0861430938,GGA,Cc,A16BC7D19_mC172_9_16a_a_7a_19a:H-La-N-O,86.0,A16BC7D19_mC172_9_16a_a_7a_19a:H-La-N-O +mp-24148,LiLa2HO3,-7.1778439157,-2.8901683078,0.0192020823,0.0192020823,GGA,Immm,AB2CD3_oI14_71_a_f_c_bf:H-La-Li-O,7.0,AB2CD3_oI14_71_a_f_c_bf:H-La-Li-O +mp-557589,TlZn(PO3)3,-7.0151032107,-2.4163537337,0.0,-0.0086247291,GGA,Pbcm,A9B3CD_oP56_57_d4e_ce_d_a:O-P-Tl-Zn,56.0,"Invalid WP multiplicities - A9B3CD_oP56_57_4d27e_3c3e_d_a:O-P-Tl-Zn, expected TlZnP9O58 to be TlZn(PO3)3" +mp-1187832,Tl2ZnP4(HO2)8,-6.2929365613,-1.9727085719,0.0058416327,0.0058416327,GGA,P-1,A8B16C4D2E_aP31_2_4i_8i_2i_i_a:H-O-P-Tl-Zn,31.0,A8B16C4D2E_aP31_2_4i_8i_2i_i_a:H-O-P-Tl-Zn +mp-18168,TlZnPO4,-6.3448975693000005,-2.2274055538,0.0,-0.0343507188,GGA,P2_1,A4BCD_mP28_4_8a_2a_2a_2a:O-P-Tl-Zn,28.0,A4BCD_mP28_4_8a_2a_2a_2a:O-P-Tl-Zn +mp-24615,LiH4SeNO4,-5.4731472466,-1.191421038,0.1114333534,0.1114333534,GGA,Pna2_1,A4BCD4E_oP44_33_4a_a_a_4a_a:H-Li-N-O-Se,44.0,"Invalid WP multiplicities - A4BCD4E_oP44_33_7a_a_a_9a_a:H-Li-N-O-Se, expected LiH7SeNO9 to be LiH4SeNO4" +mp-1196835,K3Mo2O4F5,-6.4685780909,-2.5852461806,0.0,-0.0241501768,GGA+U,Pnnm,A5B3C2D4_oP56_58_g2h_3g_2g_2gh:F-K-Mo-O,56.0,A5B3C2D4_oP56_58_g2h_3g_2g_2gh:F-K-Mo-O +mp-1212278,K3Mo4O16F,-6.8255113192,-1.501665668,0.3832995328,0.3832995328,GGA+U,P-1,AB3C4D16_aP48_2_i_3i_4i_16i:F-K-Mo-O,48.0,AB3C4D16_aP48_2_i_3i_4i_16i:F-K-Mo-O +mp-1222256,Rb5Mo3O3F14,-5.9892442101,-2.8276285152,0.0,-0.0794025928,GGA+U,P-3m1,A14B3C3D5_hP150_164_adei6j_3i_3i_gh3i:F-Mo-O-Rb,150.0,A14B3C3D5_hP150_164_adei6j_3i_3i_gh3i:F-Mo-O-Rb +mp-1224465,K3Rb5(Mo3O10)4,-7.7030134133,-2.0988597971,0.0088787466,0.0088787466,GGA+U,P1,A3B12C40D5_aP60_1_3a_12a_40a_5a:K-Mo-O-Rb,60.0,A3B12C40D5_aP60_1_3a_12a_40a_5a:K-Mo-O-Rb +mp-1219781,Rb2Mo(OF2)2,-5.9451131806,-2.5733341197,0.1222940228,0.0376480908,GGA+U,C2/c,A4BC2D2_mC36_15_2ef_e_f_2e:F-Mo-O-Rb,18.0,A4BC2D2_mC36_15_2ef_e_f_2e:F-Mo-O-Rb +mp-1209460,Rb2Mo(OF2)2,-6.0650480617,-2.6932690008,0.0023591417,-0.0822867903,GGA+U,Cmc2_1,A4BC2D2_oC36_36_2ab_a_b_2a:F-Mo-O-Rb,18.0,A4BC2D2_oC36_36_2ab_a_b_2a:F-Mo-O-Rb +mp-1209465,Rb2Mo(OF2)2,-6.0674072033,-2.6956281425,0.0,-0.084645932,GGA+U,Ama2,A4BC2D2_oC36_40_2bc_b_c_2b:F-Mo-O-Rb,18.0,A4BC2D2_oC36_40_2bc_b_c_2b:F-Mo-O-Rb +mp-1110666,K2RbMoF6,-5.444334656,-2.8927490678,0.057634442,0.057634442,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Rb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Rb +mp-1223386,KRb2Mo(OF)3,-5.970876123,-2.5217140992,0.0486317557,0.0486317557,GGA+U,Fmm2,A3BCD3E2_oF40_42_ac_a_a_ad_b:F-K-Mo-O-Rb,10.0,"Invalid WP multiplicities - A3BCD3E2_oF40_42_a2c_a_a_a2d_b:F-K-Mo-O-Rb, expected KRb2Mo(OF)5 to be KRb2Mo(OF)3" +mp-694891,KRb2Mo(OF)3,-5.9695838255,-2.5204218017,0.0499240532,0.0499240532,GGA+U,P4_2nm,A3BCD3E2_tP20_102_ac_a_a_ac_b:F-K-Mo-O-Rb,20.0,"Invalid WP multiplicities - A3BCD3E2_tP20_102_2a2c_a_a_2a3c_b:F-K-Mo-O-Rb, expected KRb2Mo(O4F3)2 to be KRb2Mo(OF)3" +mp-1106197,K2MoO2F5,-5.619688985,-2.3679669586,0.130042489,0.130042489,GGA+U,C2,A5B2CD2_mC40_5_5c_2ac_c_2bc:F-K-Mo-O,20.0,A5B2CD2_mC40_5_5c_2ac_c_2bc:F-K-Mo-O +mp-1188508,K2MoO2F5,-5.6203257505,-2.3686037241,0.1294057235,0.1294057235,GGA+U,C2/m,A5B2CD2_mC40_12_3ij_gi_i_hi:F-K-Mo-O,20.0,A5B2CD2_mC40_12_3ij_gi_i_hi:F-K-Mo-O +mp-554168,KRb2MoF6,-5.503894238,-2.9652951373,0.0,-0.0345178893,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Rb +mp-1198169,K2MoO3F4,-5.7756011955,-2.2203581947,0.0967797682,0.0967797682,GGA+U,P2_1/c,A4B2CD3_mP40_14_4e_2e_e_3e:F-K-Mo-O,40.0,A4B2CD3_mP40_14_4e_2e_e_3e:F-K-Mo-O +mp-1195555,K5Mo4O14F,-7.2138113123,-2.2096564748,0.0012456902,0.0012456902,GGA+U,C2/c,AB5C4D14_mC96_15_e_e2f_2f_7f:F-K-Mo-O,48.0,AB5C4D14_mC96_15_e_e2f_2f_7f:F-K-Mo-O +mp-1200047,K2Mo(OF)4,-5.5390016855,-1.8572636201,0.2492254371,0.2492254371,GGA+U,P2_1/c,A4B2CD4_mP44_14_4e_2e_e_4e:F-K-Mo-O,44.0,A4B2CD4_mP44_14_4e_2e_e_4e:F-K-Mo-O +mp-1209419,Rb2Mo(O2F)2,-5.9982738022,-1.9520036872,0.2515093687,0.2515093687,GGA+U,Cmcm,A2BC4D2_oC36_63_2c_c_h_2c:F-Mo-O-Rb,18.0,A2BC4D2_oC36_63_2c_c_h_2c:F-Mo-O-Rb +mp-540654,RbCdC3(SN)3,-6.4283641602,-0.3367046434,0.1114596203,0.1114596203,GGA,P2_1/c,A3BC3DE3_mP44_14_3e_ad_3e_e_3e:C-Cd-N-Rb-S,44.0,A3BC3DE3_mP44_14_3e_ad_3e_e_3e:C-Cd-N-Rb-S +mp-1521614,KCaPrWO6,-7.8552336678,-2.8017169598,0.1181926829,0.1181926829,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Ca-K-O-Pr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Ca-K-O-Pr-W, expected K2CaPrWO12 to be KCaPrWO6" +mp-1521769,KCaPrWO6,-7.809152774,-2.7556360661,0.1642735766,0.1642735766,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-Pr-W +mp-1522228,KCaPrWO6,-7.800791606,-2.7472748981,0.1726347446,0.1726347446,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Ca-K-O-Pr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Ca-K-O-Pr-W +mp-28967,Ba(PdS2)2,-5.242961645,-1.1251704982,0.0,-0.0248538,GGA,P2_1/m,AB2C4_mP14_11_e_ae_2ef:Ba-Pd-S,14.0,AB2C4_mP14_11_e_ae_2ef:Ba-Pd-S +mp-4009,BaPdS2,-5.3145084262,-1.4715693053,0.0,-0.0043400784,GGA,Cmcm,ABC2_oC16_63_c_a_g:Ba-Pd-S,8.0,ABC2_oC16_63_c_a_g:Ba-Pd-S +mp-1232297,BaPdS2,-5.1645543125,-1.3216151916,0.1499541137,0.1456140353,GGA,P4/mmm,ABC2_tP4_123_a_d_e:Ba-Pd-S,4.0,ABC2_tP4_123_a_d_e:Ba-Pd-S +mp-1214636,BaH2S5O6,-5.3461273307,-1.1270695713,0.4791040073,0.4791040073,GGA,P-1,AB2C6D5_aP28_2_i_2i_6i_5i:Ba-H-O-S,28.0,AB2C6D5_aP28_2_i_2i_6i_5i:Ba-H-O-S +mp-1214685,BaH2S5O6,-5.3394813232,-1.1204235638,0.4857500148,0.4857500148,GGA,Pnma,AB2C6D5_oP56_62_c_2c_3d_c2d:Ba-H-O-S,56.0,AB2C6D5_oP56_62_c_2c_3d_c2d:Ba-H-O-S +mp-1214729,BaH2(S2O3)2,-5.4194789904,-1.1940667777,0.5356586146,0.5356586146,GGA,P2_1/c,AB2C6D4_mP52_14_e_2e_6e_4e:Ba-H-O-S,52.0,AB2C6D4_mP52_14_e_2e_6e_4e:Ba-H-O-S +mp-1195529,Ba2H2Pd(S5O17)2,-6.4656576251,-1.8665719388,0.0,-0.0013137061,GGA,P-1,A2B2C34DE10_aP49_2_i_i_17i_a_5i:Ba-H-O-Pd-S,49.0,A2B2C34DE10_aP49_2_i_i_17i_a_5i:Ba-H-O-Pd-S +mp-1342911,Ba2H2Pd(S5O17)2,-4.4637429867,0.1353426996,2.0019146384,2.0006009322,GGA,P-1,A2B2C34DE10_aP49_2_i_i_17i_a_5i:Ba-H-O-Pd-S,49.0,A2B2C34DE10_aP49_2_i_i_17i_a_5i:Ba-H-O-Pd-S +mp-1214550,BaHS2O3,-5.5673452857,-1.5066785925,0.526325912,0.526325912,GGA,Pbcn,ABC3D2_oP56_60_d_d_3d_2d:Ba-H-O-S,56.0,ABC3D2_oP56_60_d_d_3d_2d:Ba-H-O-S +mp-703568,BaH2(SO4)2,-6.4261766704,-2.0761123278,0.0007588246,0.0007588246,GGA,P2_12_12_1,AB2C8D2_oP52_19_a_2a_8a_2a:Ba-H-O-S,52.0,AB2C8D2_oP52_19_a_2a_8a_2a:Ba-H-O-S +mp-1017341,NaMg6B,-1.7861340988,0.4143155718,0.4552119243,0.4552119243,GGA,Amm2,AB6C_oC16_38_a_2bde_a:B-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:B-Mg-Na, expected NaMg12B to be NaMg6B" +mp-1204556,Na2MgB4(H5N)4,-4.6858449973,-0.4225095676,0.0855752315,0.0855752315,GGA,I4_1/a,A4B20CD4E2_tI124_88_f_5f_a_f_d:B-H-Mg-N-Na,62.0,A4B20CD4E2_tI124_88_f_5f_a_f_d:B-H-Mg-N-Na +mp-1099094,NaMg14B,-1.7057918669,0.1945729934,0.2269882493,0.2269882493,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:B-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:B-Mg-Na, expected NaMg18B to be NaMg14B" +mp-1026657,NaMg14B,-1.6929033394,0.2074615209,0.2398767768,0.2398767768,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:B-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:B-Mg-Na, expected NaMg26B to be NaMg14B" +mp-1194630,NaGdH2S2O9,-7.26432289,-2.2658430394,0.00029979,-0.0388981145,GGA,P3_121,AB2CD9E2_hP45_152_a_c_b_a4c_c:Gd-H-Na-O-S,45.0,AB2CD9E2_hP45_152_a_c_b_a4c_c:Gd-H-Na-O-S +mp-559407,NaGdH2S2O9,-7.26462268,-2.2661428294,0.0,-0.0391979045,GGA,P3_221,AB2CD9E2_hP45_154_a_c_b_a4c_c:Gd-H-Na-O-S,45.0,"Invalid WP multiplicities - AB2CD9E2_hP45_154_a_c_b_3a19c_c:Gd-H-Na-O-S, expected NaGdH2S2O41 to be NaGdH2S2O9" +mp-1197842,GdHSO5,-8.3008617906,-2.5085190771,0.0,-0.2244489746,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Gd-H-O-S,32.0,ABC5D_mP32_14_e_e_5e_e:Gd-H-O-S +mp-1518922,KPrHfWO6,-8.75786734,-2.909191717,0.1896375047,0.1896375047,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Hf-K-O-Pr-W +mp-557650,Sr3P6(N4O3)2,-7.7066905443,-1.8840650197,0.0,-0.0322714009,GGA,P-3,A8B6C6D3_hP23_147_dg_g_g_ad:N-O-P-Sr,23.0,"Invalid WP multiplicities - A8B6C6D3_hP23_147_d2g_g_g_a2d:N-O-P-Sr, expected Sr5P6(N7O3)2 to be Sr3P6(N4O3)2" +mp-1020629,SrMgP3N5O2,-7.5528365112,-1.627375422,0.0,-0.0567696075,GGA,P2_1/c,AB5C2D3E_mP48_14_e_5e_2e_3e_e:Mg-N-O-P-Sr,48.0,AB5C2D3E_mP48_14_e_5e_2e_3e_e:Mg-N-O-P-Sr +mp-1204920,SrP3NO12,-6.4892918243,-1.4524588576,0.7775909229,0.7775909229,GGA,Pnma,AB12C3D_oP68_62_c_4c4d_cd_c:N-O-P-Sr,68.0,AB12C3D_oP68_62_c_4c4d_cd_c:N-O-P-Sr +mp-1208624,SrP4(NO6)2,-6.9390874342,-1.7087738624000002,0.6712678904,0.6712678904,GGA,I-4,A2B12C4D_tI38_82_f_3g_g_a:N-O-P-Sr,19.0,A2B12C4D_tI38_82_f_3g_g_a:N-O-P-Sr +mp-6724,K2Cd2(SO4)3,-6.0014819858,-2.0101034832,0.0,-0.0138103762,GGA,P2_12_12_1,A2B2C12D3_oP76_19_2a_2a_12a_3a:Cd-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_19_2a_5a_15a_3a:Cd-K-O-S, expected K5Cd2(SO5)3 to be K2Cd2(SO4)3" +mp-6276,K2Cd2(SO4)3,-5.9969328491,-2.0055543465,0.0045491367,-0.0092612395,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Cd-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_2a_5a_8b_b:Cd-K-O-S, expected K5Cd2(SO8)3 to be K2Cd2(SO4)3" +mp-1204199,K4Cd2S4O19,-5.5061521479,-1.4778673104,0.3891068619,0.3891068619,GGA,P2_1/c,A2B4C19D4_mP116_14_2e_4e_19e_4e:Cd-K-O-S,116.0,A2B4C19D4_mP116_14_2e_4e_19e_4e:Cd-K-O-S +mp-734902,K4Cd2S4O19,-5.4910670527,-1.4627822151,0.4041919572,0.4041919572,GGA,P2_1/c,A2B4C19D4_mP116_14_2e_4e_19e_4e:Cd-K-O-S,116.0,A2B4C19D4_mP116_14_2e_4e_19e_4e:Cd-K-O-S +mp-1200752,K2Cd3S3O16,-5.4815091992,-1.4587660261,0.2463448739,0.2463448739,GGA,Cmc2_1,A3B2C16D3_oC96_36_ab_b_4a6b_ab:Cd-K-O-S,48.0,A3B2C16D3_oC96_36_ab_b_4a6b_ab:Cd-K-O-S +mp-1147635,K2Cd2Cu(SO)2,-3.8352062144,-0.9094216322,0.3982710081,0.3982710081,GGA,I4/mmm,A2BC2D2E2_tI18_139_d_a_e_c_e:Cd-Cu-K-O-S,9.0,A2BC2D2E2_tI18_139_d_a_e_c_e:Cd-Cu-K-O-S +mp-737838,Cs2NiH12(SO7)2,-5.6258701034000005,-1.5674766951,0.037777936,0.0284299465,GGA+U,P1,A2B12CD14E2_aP62_1_4a_24a_2a_28a_4a:Cs-H-Ni-O-S,62.0,A2B12CD14E2_aP62_1_4a_24a_2a_28a_4a:Cs-H-Ni-O-S +mp-542420,Cs2NiH12(SO7)2,-5.6636480394,-1.6052546311,0.0,-0.0093479894,GGA+U,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S +mp-728689,Cs2NiH12(SO7)2,-5.3507038853,-1.2923104771,0.312944154,0.3035961646,GGA+U,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S +mp-1182788,Cs2NiH12(SO7)2,-5.4019705447,-1.3435771364,0.2616774947,0.2523295052,GGA+U,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Ni-O-S +mp-768169,Li3CaPCO7,-7.0322372788,-2.647532859,0.0814614469,0.0814614469,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Ca-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Ca-Li-O-P, expected Li4CaPCO13 to be Li3CaPCO7" +mp-558650,UCu2(PO5)2,-7.8059762707,-2.4870885723,0.0,-0.03505437,GGA,C2/m,A2B10C2D_mC30_12_f_3ij_i_a:Cu-O-P-U,15.0,"Invalid WP multiplicities - A2B10C2D_mC30_12_e_5i3j_i_a:Cu-O-P-U, expected UCu2(PO11)2 to be UCu2(PO5)2" +mp-21478,U(CuP)2,-6.613884004,-0.5505983313,0.0,-0.034679672,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cu-P-U,5.0,A2B2C_hP5_164_d_d_a:Cu-P-U +mp-1198907,CaUCu(PO7)2,-7.0733636412,-1.9430234554,0.3495940265,0.3495940265,GGA,P2_1/c,ABC14D2E_mP76_14_e_ad_14e_2e_e:Ca-Cu-O-P-U,76.0,ABC14D2E_mP76_14_e_ad_14e_2e_e:Ca-Cu-O-P-U +mp-9360,CaU(PO4)2,-8.5409880929,-3.2328943768,0.0,-0.0056484907,GGA,Pnma,AB8C2D_oP48_62_c_4c2d_2c_c:Ca-O-P-U,48.0,AB8C2D_oP48_62_c_4c2d_2c_c:Ca-O-P-U +mp-1217227,U2Cu(PO10)2,-6.6411939296,-1.1834976925,0.7805022628,0.7805022628,GGA,P4mm,AB20C2D2_tP25_99_a_2a2b2e2f_c_ab:Cu-O-P-U,25.0,AB20C2D2_tP25_99_a_2a2b2e2f_c_ab:Cu-O-P-U +mp-1201383,U2Cu(PO10)2,-6.6348345464000005,-1.1771383093,0.7868616460000001,0.7868616460000001,GGA,P4/nmm,AB20C2D2_tP50_129_c_4c2i2j_ab_2c:Cu-O-P-U,50.0,AB20C2D2_tP50_129_c_4c2i2j_ab_2c:Cu-O-P-U +mp-30534,UCuP2,-7.1992037475,-0.6448983242,0.0,-0.0006656356,GGA,I4/mmm,AB2C_tI16_139_d_ce_e:Cu-P-U,8.0,AB2C_tI16_139_d_ce_e:Cu-P-U +mp-1228040,CaU2(PO9)2,-7.0560499683,-1.6449446763000002,0.7750441578,0.7750441578,GGA,Pm,AB18C2D2_mP23_6_a_5a5b4c_ab_ab:Ca-O-P-U,23.0,AB18C2D2_mP23_6_a_5a5b4c_ab_ab:Ca-O-P-U +mp-1227909,CaU2(PO9)2,-7.2478300561,-1.8367247641,0.5832640699,0.5832640699,GGA,Pmm2,AB18C2D2_oP23_25_a_2a2d2e2f2gh_bc_ad:Ca-O-P-U,23.0,AB18C2D2_oP23_25_a_2a2d2e2f2gh_bc_ad:Ca-O-P-U +mp-20370,UCuPO,-8.1508509388,-1.7131989643,0.0376596562,0.0376596562,GGA,P4/nmm,ABCD_tP8_129_a_b_c_c:Cu-O-P-U,8.0,ABCD_tP8_129_a_b_c_c:Cu-O-P-U +mp-1078571,CaU2(PO2)2,-8.2915502733,-2.1580191891,0.6184849948000001,0.6184849948000001,GGA,I4/mmm,AB4C2D2_tI18_139_a_2e_d_e:Ca-O-P-U,9.0,AB4C2D2_tI18_139_a_2e_d_e:Ca-O-P-U +mp-768832,Li2Cu2(SO4)3,-6.1922345095,-1.782451709,0.0231420975,0.0231420975,GGA,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Cu-Li-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Cu-Li-O-S, expected Li2Cu2S5O42 to be Li2Cu2(SO4)3" +mp-769636,Li2Cu2(SO4)3,-6.1822952286,-1.7725124281,0.0330813784,0.0330813784,GGA,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Cu-Li-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Cu-Li-O-S, expected LiCu(SO7)3 to be Li2Cu2(SO4)3" +mp-851105,Li2Cu2(SO4)3,-6.1760789051,-1.7662961047,0.0392977018,0.0392977018,GGA,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Cu-Li-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_5c_5c_45c_9c:Cu-Li-O-S, expected Li5Cu5(SO5)9 to be Li2Cu2(SO4)3" +mp-768757,LiCu2(SO4)3,-6.1720243894,-1.623304926,0.0241618493,0.0241618493,GGA,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Cu-Li-O-S,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_7e_e_45e_9e:Cu-Li-O-S, expected LiCu7(SO5)9 to be LiCu2(SO4)3" +mp-778169,LiCu2(SO4)3,-6.1721111639,-1.6233917004,0.0240750748,0.0240750748,GGA,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Cu-Li-O-S,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_9f_e:Cu-Li-O-S, expected LiCu2(SO18)3 to be LiCu2(SO4)3" +mp-755243,Li5CuSO2,-4.72379753,-1.6489477197,0.0454532218,0.0454532218,GGA,P4/mmm,AB5C2D_tP9_123_b_ai_g_c:Cu-Li-O-S,9.0,AB5C2D_tP9_123_b_ai_g_c:Cu-Li-O-S +mp-1195676,LiCuSO4F,-5.9049852088,-1.9246335567,0.0,-0.0005623494,GGA,C2/c,ABCD4E_mC64_15_f_f_f_4f_f:Cu-F-Li-O-S,32.0,ABCD4E_mC64_15_f_f_f_4f_f:Cu-F-Li-O-S +mp-777767,Li3Cu2(SO4)3,-6.1769413536,-1.8922015498,0.0012185897,0.0012185897,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cu-Li-O-S,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_43e_11e:Cu-Li-O-S, expected Li9Cu3S11O43 to be Li3Cu2(SO4)3" +mp-768553,Li3Cu2(SO4)3,-6.1341410737,-1.84940127,0.0440188696,0.0440188696,GGA,P2_1/c,A2B3C12D3_mP80_14_2e_3e_12e_3e:Cu-Li-O-S,80.0,"Invalid WP multiplicities - A2B3C12D3_mP80_14_3e_9e_45e_11e:Cu-Li-O-S, expected Li9Cu3S11O45 to be Li3Cu2(SO4)3" +mp-778458,Li3Cu2(SO4)3,-6.1324160947,-1.847676291,0.0457438486,0.0457438486,GGA,R-3,A2B3C12D3_hR120_148_2c_f_4f_f:Cu-Li-O-S,40.0,"Invalid WP multiplicities - A2B3C12D3_hR120_148_3c_f_19f_f:Cu-Li-O-S, expected LiCuSO19 to be Li3Cu2(SO4)3" +mp-1221295,Na3BP4PbO16,-6.9094466108,-2.3030528457,0.1047069822,0.1047069822,GGA,P1,AB3C16D4E_aP50_1_2a_6a_32a_8a_2a:B-Na-O-P-Pb,50.0,AB3C16D4E_aP50_1_2a_6a_32a_8a_2a:B-Na-O-P-Pb +mp-1203864,BP3(PbO4)3,-7.3890256991,-2.4723149078,0.0005734505,0.0005734505,GGA,Pbca,AB12C3D3_oP152_61_c_12c_3c_3c:B-O-P-Pb,152.0,AB12C3D3_oP152_61_c_12c_3c_3c:B-O-P-Pb +mp-1182507,BP2Pb2O9,-7.3079869232,-2.3471662571,0.0628094557,0.0628094557,GGA,P2_1/c,AB9C2D2_mP56_14_e_9e_2e_2e:B-O-P-Pb,56.0,AB9C2D2_mP56_14_e_9e_2e_2e:B-O-P-Pb +mp-1199260,BP2Pb2O9,-7.2596597759,-2.2988391098,0.111136603,0.111136603,GGA,P2_1/c,AB9C2D2_mP56_14_e_9e_2e_2e:B-O-P-Pb,56.0,AB9C2D2_mP56_14_e_9e_2e_2e:B-O-P-Pb +mp-21266,BPPbO5,-7.6150302492,-2.5476821362,0.0,-0.006290977,GGA,P3_121,AB5CD_hP24_152_a_b2c_b_a:B-O-P-Pb,24.0,"Invalid WP multiplicities - AB5CD_hP24_152_a_b3c_b_a:B-O-P-Pb, expected BPPbO7 to be BPPbO5" +mp-1201606,BP(PbO2)4,-6.8950132371,-2.1438137909,0.0,-0.0022557971,GGA,P2_1/c,AB8CD4_mP56_14_e_8e_e_4e:B-O-P-Pb,56.0,AB8CD4_mP56_14_e_8e_e_4e:B-O-P-Pb +mp-1228851,BP5(Pb3O10)2,-7.2524538384,-2.4100925588,0.0072245068,0.0072245068,GGA,P-4,AB20C5D6_tP32_81_a_5h_dh_gh:B-O-P-Pb,32.0,AB20C5D6_tP32_81_a_5h_dh_gh:B-O-P-Pb +mp-1200210,BaV2SeO8,-7.5797733594,-2.3167560054,0.0023217829,0.0023217829,GGA+U,Pnma,AB8CD2_oP48_62_c_4c2d_c_2c:Ba-O-Se-V,48.0,AB8CD2_oP48_62_c_4c2d_c_2c:Ba-O-Se-V +mp-1200758,Ba3V2(SeO4)4,-6.8751800826,-2.1929639926,0.0051483091,0.0051483091,GGA+U,P2_1/c,A3B16C4D2_mP100_14_3e_16e_4e_2e:Ba-O-Se-V,100.0,A3B16C4D2_mP100_14_3e_16e_4e_2e:Ba-O-Se-V +mp-1201097,V2H10Se2O13,-6.0889715494,-1.5188290016,0.0084287017,0.0084287017,GGA+U,C2/c,A10B13C2D2_mC108_15_5f_e6f_f_f:H-O-Se-V,54.0,A10B13C2D2_mC108_15_5f_e6f_f_f:H-O-Se-V +mp-1198938,V2H2Se2O13,-6.1406727658,-1.074775901,0.377007835,0.377007835,GGA+U,C2/c,A2B13C2D2_mC76_15_f_e6f_f_f:H-O-Se-V,38.0,A2B13C2D2_mC76_15_f_e6f_f_f:H-O-Se-V +mp-697501,VH2SeO5,-6.5247942133,-1.6249371918,0.0249223529,0.0249223529,GGA+U,P-1,A2B5CD_aP18_2_2i_5i_i_i:H-O-Se-V,18.0,A2B5CD_aP18_2_2i_5i_i_i:H-O-Se-V +mp-1195240,BaV2H2Se2O11,-6.8685082832,-1.9641950638,0.0,-0.0058267118,GGA+U,P2_1/c,AB2C11D2E2_mP72_14_e_2e_11e_2e_2e:Ba-H-O-Se-V,72.0,AB2C11D2E2_mP72_14_e_2e_11e_2e_2e:Ba-H-O-Se-V +mp-735536,BaV2H2(Se2O7)2,-6.5808206578,-1.793449917,0.0,-0.0020483224,GGA+U,P2_1/c,AB2C14D4E2_mP46_14_a_e_7e_2e_e:Ba-H-O-Se-V,46.0,AB2C14D4E2_mP46_14_a_e_7e_2e_e:Ba-H-O-Se-V +mp-636959,MnFeC5N6O,-8.2995617921,0.1819397954,0.5122155142,0.5122155142,GGA+U,Pnma,A5BCD6E_oP56_62_c2d_c_c_2c2d_c:C-Fe-Mn-N-O,56.0,"Invalid WP multiplicities - A5BCD6E_oP56_62_3c7d_c_c_8c13d_c:C-Fe-Mn-N-O, expected MnFeC17N34O to be MnFeC5N6O" +mp-820860,Mn2FeC6(N3O4)2,-7.2803452076,0.187416705,1.3317834812,1.3317834812,GGA+U,P2_1/c,A6BC2D6E8_mP46_14_3e_a_e_3e_4e:C-Fe-Mn-N-O,46.0,A6BC2D6E8_mP46_14_3e_a_e_3e_4e:C-Fe-Mn-N-O +mp-1204192,Ba2V2Te2O11,-7.2830760124,-2.4180201517,0.0014005247,0.0014005247,GGA+U,P2_1/m,A2B11C2D2_mP34_11_2e_5e3f_f_2e:Ba-O-Te-V,34.0,A2B11C2D2_mP34_11_2e_5e3f_f_2e:Ba-O-Te-V +mp-1201779,Ba2VTe4HO13,-6.5012975052,-2.0634518474,0.009734281,0.009734281,GGA+U,P2_1/c,A2BC13D4E_mP84_14_2e_e_13e_4e_e:Ba-H-O-Te-V,84.0,A2BC13D4E_mP84_14_2e_e_13e_4e_e:Ba-H-O-Te-V +mp-556790,BaV2TeO8,-7.6343813419,-2.4007477866,0.0,-0.005947269,GGA+U,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:Ba-O-Te-V,48.0,"Invalid WP multiplicities - AB8CD2_mP48_14_e_28e_e_4e:Ba-O-Te-V, expected BaV4TeO28 to be BaV2TeO8" +mp-1333433,VZnNiP2O9,-7.4402212054,-2.3351790786,0.0493270905,0.0493270905,GGA+U,Pnma,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-V-Zn,56.0,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-V-Zn +mp-774876,Ti3VSb2(PO4)6,-8.0368766006,-2.6971896919,0.0845371447,0.0845371447,GGA+U,R3,A24B6C2D3E_hR108_146_8b_2b_2a_3a_a:O-P-Sb-Ti-V,36.0,"Invalid WP multiplicities - A24B6C2D3E_hR108_146_20b_2b_2a_3a_a:O-P-Sb-Ti-V, expected Ti3VSb2(PO10)6 to be Ti3VSb2(PO4)6" +mp-1101307,TiV3Sb2(PO4)6,-7.9872512508,-2.5815413393,0.0701602129,0.0701602129,GGA+U,R3,A24B6C2DE3_hR108_146_8b_2b_2a_a_3a:O-P-Sb-Ti-V,36.0,"Invalid WP multiplicities - A24B6C2DE3_hR108_146_20b_2b_2a_a_3a:O-P-Sb-Ti-V, expected TiV3Sb2(PO10)6 to be TiV3Sb2(PO4)6" +mp-776521,Ti3V2Sb(PO4)6,-8.2591831275,-2.7818599736,0.057474762,0.057474762,GGA+U,R3,A24B6CD3E2_hR108_146_8b_2b_a_3a_2a:O-P-Sb-Ti-V,36.0,"Invalid WP multiplicities - A24B6CD3E2_hR108_146_20b_2b_a_3a_2a:O-P-Sb-Ti-V, expected Ti3V2Sb(PO10)6 to be Ti3V2Sb(PO4)6" +mp-2228925,MgV4(OF)6,-7.4532198065,-2.8011662534,0.0994129846,0.0994129846,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2225011,MgV4(OF)6,-7.4228007541,-2.770747201,0.129832037,0.129832037,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2224756,MgV4(OF)6,-7.4389695947,-2.7869160416,0.1136631964,0.1136631964,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2229220,MgV4(OF)6,-7.4384479271,-2.786394374,0.1141848641,0.1141848641,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2228944,MgV4(OF)6,-7.4366273929,-2.7845738399,0.1160053982,0.1160053982,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2228993,MgV4(OF)6,-7.4319768582,-2.7799233051,0.1206559329,0.1206559329,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2229103,MgV4(OF)6,-7.4300245882,-2.7779710351,0.1226082029,0.1226082029,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2229114,MgV4(OF)6,-7.4619014259,-2.8098478728,0.0907313652,0.0907313652,GGA+U,P1,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V,17.0,A6BC6D4_aP17_1_6a_a_6a_4a:F-Mg-O-V +mp-2217147,MgV2(OF)3,-7.3760202589,-2.8935096782,0.1636053533,0.1636053533,GGA+U,P1,A3BC3D2_aP9_1_3a_a_3a_2a:F-Mg-O-V,9.0,A3BC3D2_aP9_1_3a_a_3a_2a:F-Mg-O-V +mp-2217103,MgV2(OF)3,-7.3496403989,-2.8671298182,0.1899852133,0.1899852133,GGA+U,P1,A3BC3D2_aP9_1_3a_a_3a_2a:F-Mg-O-V,9.0,A3BC3D2_aP9_1_3a_a_3a_2a:F-Mg-O-V +mp-1233137,MgV8(OF)8,-7.8536015284,-2.6881267268,0.1885818133,0.1885818133,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233159,MgV8(OF)8,-7.8729628332,-2.7074880316,0.1692205085,0.1692205085,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233255,MgV8(OF)8,-7.8618029744,-2.6963281728,0.1803803673,0.1803803673,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233411,MgV8(OF)8,-7.82430768,-2.6588328784,0.2178756617,0.2178756617,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233560,MgV8(OF)8,-7.8417657176,-2.676290916,0.2004176241,0.2004176241,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233575,MgV8(OF)8,-7.871874142,-2.7063993404,0.1703091997,0.1703091997,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233810,MgV8(OF)8,-7.8435512004,-2.6780763988,0.1986321413,0.1986321413,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1234292,MgV8(OF)8,-7.876716748,-2.7112419464,0.1654665937,0.1654665937,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1234390,MgV8(OF)8,-7.8639724512,-2.6984976496,0.1782108905,0.1782108905,GGA+U,P1,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V,25.0,A8BC8D8_aP25_1_8a_a_8a_8a:F-Mg-O-V +mp-1233053,MgV8(OF)8,-7.8024326384,-2.6369578368,0.2397507033,0.2397507033,GGA+U,P-1,A8BC8D8_aP25_2_4i_a_4i_bcdh2i:F-Mg-O-V,25.0,"Invalid WP multiplicities - A8BC8D8_aP25_2_7i_a_8i_bcdh3i:F-Mg-O-V, expected MgV10(O8F7)2 to be MgV8(OF)8" +mp-1233297,MgV8(OF)8,-7.8598309564,-2.6943561548,0.1823523853,0.1823523853,GGA+U,P-1,A8BC8D8_aP25_2_4i_a_4i_4i:F-Mg-O-V,25.0,"Invalid WP multiplicities - A8BC8D8_aP25_2_7i_a_8i_5i:F-Mg-O-V, expected MgV10(O8F7)2 to be MgV8(OF)8" +mp-1234344,MgV8(OF)8,-7.8454807692,-2.6800059676,0.1967025725,0.1967025725,GGA+U,P-1,A8BC8D8_aP25_2_4i_a_4i_bcdh2i:F-Mg-O-V,25.0,"Invalid WP multiplicities - A8BC8D8_aP25_2_7i_a_8i_bcdh3i:F-Mg-O-V, expected MgV10(O8F7)2 to be MgV8(OF)8" +mp-2224775,MgV3OF11,-6.5013681513,-3.0748084254,0.1046881755,0.1046881755,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V +mp-2224447,MgV3OF11,-6.5189469356,-3.0923872098,0.0871093911,0.0871093911,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V +mp-2224794,MgV3OF11,-6.5267611206,-3.1002013948,0.0792952061,0.0792952061,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Mg-O-V +mp-2228522,MgV2Te2O7F2,-6.8048533086,-2.197390245,0.1786792437,0.1786792437,GGA+U,P1,A2BC7D2E2_aP14_1_2a_a_7a_2a_2a:F-Mg-O-Te-V,14.0,A2BC7D2E2_aP14_1_2a_a_7a_2a_2a:F-Mg-O-Te-V +mp-2227262,MgV2Te2O7F2,-6.8116793993,-2.2042163357,0.171853153,0.171853153,GGA+U,P-1,A2BC7D2E2_aP14_2_i_b_c3i_i_i:F-Mg-O-Te-V,14.0,"Invalid WP multiplicities - A2BC7D2E2_aP14_2_i_b_c5i_i_i:F-Mg-O-Te-V, expected MgV2Te2O11F2 to be MgV2Te2O7F2" +mp-2228593,MgV2Te2O7F2,-6.7932264264,-2.1857633628,0.1903061259,0.1903061259,GGA+U,P-1,A2BC7D2E2_aP14_2_i_a_e3i_i_i:F-Mg-O-Te-V,14.0,"Invalid WP multiplicities - A2BC7D2E2_aP14_2_i_a_e5i_i_i:F-Mg-O-Te-V, expected MgV2Te2O11F2 to be MgV2Te2O7F2" +mp-2232436,MgV4(O3F2)2,-7.7881523333,-2.7706888355,0.131966482,0.131966482,GGA+U,P1,A4BC6D4_aP15_1_4a_a_6a_4a:F-Mg-O-V,15.0,A4BC6D4_aP15_1_4a_a_6a_4a:F-Mg-O-V +mp-2232526,MgV4(O3F2)2,-7.6925690953,-2.6751055975,0.22754972,0.22754972,GGA+U,P-1,A4BC6D4_aP15_2_2i_a_3i_2i:F-Mg-O-V,15.0,"Invalid WP multiplicities - A4BC6D4_aP15_2_3i_a_5i_3i:F-Mg-O-V, expected MgV6(O5F3)2 to be MgV4(O3F2)2" +mp-2232251,MgV4(O3F2)2,-7.7567640847,-2.7393005868,0.1633547307,0.1633547307,GGA+U,P-1,A4BC6D4_aP15_2_2i_a_3i_2i:F-Mg-O-V,15.0,"Invalid WP multiplicities - A4BC6D4_aP15_2_3i_a_5i_3i:F-Mg-O-V, expected MgV6(O5F3)2 to be MgV4(O3F2)2" +mp-2217104,MgV2(O2F)2,-7.56510579,-2.7453496822,0.1852041144,0.1852041144,GGA+U,P1,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-V,9.0,A2BC4D2_aP9_1_2a_a_4a_2a:F-Mg-O-V +mp-2225285,MgVOF2,-6.81924093,-2.9284743768,0.2142774741,0.2142774741,GGA+U,Cm,A2BCD_mC10_8_2a_a_a_a:F-Mg-O-V,5.0,A2BCD_mC10_8_2a_a_a_a:F-Mg-O-V +mp-2224277,MgVOF2,-6.750250526,-2.8594839727,0.2832678781,0.2832678781,GGA+U,Imm2,A2BCD_oI10_44_2a_b_a_b:F-Mg-O-V,5.0,A2BCD_oI10_44_2a_b_a_b:F-Mg-O-V +mp-2225031,MgVO2F,-7.347074756,-2.849266254,0.1942500437,0.1942500437,GGA+U,Cm,ABC2D_mC10_8_a_a_2a_a:F-Mg-O-V,5.0,ABC2D_mC10_8_a_a_2a_a:F-Mg-O-V +mp-2227100,MgV2(OF2)2,-7.1307121511,-2.9854470975,0.1884291356,0.1884291356,GGA+U,P1,A4BC2D2_aP9_1_4a_a_2a_2a:F-Mg-O-V,9.0,A4BC2D2_aP9_1_4a_a_2a_2a:F-Mg-O-V +mp-2217123,MgV2(OF2)2,-7.0698930167,-2.9246279631,0.24924827,0.24924827,GGA+U,C2,A4BC2D2_mC18_5_2c_a_ab_c:F-Mg-O-V,9.0,A4BC2D2_mC18_5_2c_a_ab_c:F-Mg-O-V +mp-1233217,MgV6O5F19,-6.6430142968,-2.8638123481,0.044224873,0.044224873,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233232,MgV6O5F19,-6.6307096206,-2.8515076720000003,0.0565295492,0.0565295492,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233245,MgV6O5F19,-6.6412168439,-2.8620148952,0.0460223259,0.0460223259,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233283,MgV6O5F19,-6.6377126445,-2.8585106958,0.0495265253,0.0495265253,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233290,MgV6O5F19,-6.6466000342000005,-2.8673980855,0.0406391356,0.0406391356,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233387,MgV6O5F19,-6.6345304113,-2.8553284626,0.0527087585,0.0527087585,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233599,MgV6O5F19,-6.6404756829,-2.8612737342,0.0467634869,0.0467634869,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233701,MgV6O5F19,-6.6197290016,-2.8405270529,0.0675101682,0.0675101682,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1233867,MgV6O5F19,-6.6338264213,-2.8546244726000003,0.0534127485,0.0534127485,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1234317,MgV6O5F19,-6.6350507174,-2.8558487688,0.0521884524,0.0521884524,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1234398,MgV6O5F19,-6.6148991916,-2.8356972429,0.0723399782,0.0723399782,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1234555,MgV6O5F19,-6.6114381823,-2.8322362336,0.0758009875,0.0758009875,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-1234570,MgV6O5F19,-6.6306422984,-2.8514403497,0.0565968714,0.0565968714,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2216105,MgV6O5F19,-6.6435945797,-2.8643926310000003,0.0436445901,0.0436445901,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2216441,MgV6O5F19,-6.6128591619,-2.8336572133,0.0743800079,0.0743800079,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2216300,MgV6O5F19,-6.6294453568,-2.8502434081,0.057793813,0.057793813,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2216238,MgV6O5F19,-6.6315168423,-2.8523148936,0.0557223275,0.0557223275,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220331,MgV6O5F19,-6.6232003248,-2.8439983762,0.064038845,0.064038845,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220332,MgV6O5F19,-6.6211085103,-2.8419065617,0.0661306595,0.0661306595,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220862,MgV6O5F19,-6.6563677903,-2.8771658417,0.0308713795,0.0308713795,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220694,MgV6O5F19,-6.6574296803,-2.8782277317,0.0298094895,0.0298094895,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220500,MgV6O5F19,-6.6153294081,-2.8361274594,0.0719097617,0.0719097617,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2220580,MgV6O5F19,-6.655223299,-2.8760213504000003,0.0320158708,0.0320158708,GGA+U,P1,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V,31.0,A19BC5D6_aP31_1_19a_a_5a_6a:F-Mg-O-V +mp-2218202,MgV3(OF)4,-7.5074078067,-2.8170187254,0.1873444354,0.1873444354,GGA+U,Pm,A4BC4D3_mP12_6_2a2b_a_2a2b_2ab:F-Mg-O-V,12.0,A4BC4D3_mP12_6_2a2b_a_2a2b_2ab:F-Mg-O-V +mp-2218268,MgV3(OF)4,-7.6164601708,-2.9260710896,0.0782920713,0.0782920713,GGA+U,Pm,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:F-Mg-O-V,12.0,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:F-Mg-O-V +mp-2218144,MgV3(OF)4,-7.6221521858,-2.9317631046,0.0726000562,0.0726000562,GGA+U,Pm,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:F-Mg-O-V,12.0,A4BC4D3_mP12_6_2a2b_a_2a2b_a2b:F-Mg-O-V +mp-2228935,MgV4(O2F)4,-7.6397072794,-2.6305702271,0.1005214267,0.1005214267,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2224725,MgV4(O2F)4,-7.6236985976,-2.6145615453,0.1165301085,0.1165301085,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2228919,MgV4(O2F)4,-7.6119790512,-2.6028419988,0.128249655,0.128249655,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2229091,MgV4(O2F)4,-7.610835447599999,-2.6016983953,0.1293932585,0.1293932585,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2224762,MgV4(O2F)4,-7.6205519871,-2.6114149347,0.1196767191,0.1196767191,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2224253,MgV4(O2F)4,-7.5875044812,-2.5783674288,0.152724225,0.152724225,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2224270,MgV4(O2F)4,-7.6566018453,-2.6474647929,0.0836268608,0.0836268608,GGA+U,P1,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V,17.0,A4BC8D4_aP17_1_4a_a_8a_4a:F-Mg-O-V +mp-2228933,MgV4(O2F)4,-7.6110315553,-2.6018945029,0.1291971508,0.1291971508,GGA+U,Pm,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V,17.0,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V +mp-2225038,MgV4(O2F)4,-7.6218483276,-2.6127112753,0.1183803785,0.1183803785,GGA+U,Pm,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V,17.0,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V +mp-2229105,MgV4(O2F)4,-7.6161006188,-2.6069635665,0.1241280873,0.1241280873,GGA+U,Pm,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V,17.0,A4BC8D4_mP17_6_2a2b_a_4a4b_2a2b:F-Mg-O-V +mp-2217713,MgV2(OF3)2,-6.8170114482,-3.0778893193,0.0469765386,0.0469765386,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217337,MgV2(OF3)2,-6.7782846045,-3.0391624757,0.0857033823,0.0857033823,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217881,MgV2(OF3)2,-6.7447643809,-3.005642252,0.1192236059,0.1192236059,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217755,MgV2(OF3)2,-6.8269367882,-3.0878146593,0.0370511986,0.0370511986,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217802,MgV2(OF3)2,-6.7549474136,-3.0158252848,0.1090405732,0.1090405732,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217375,MgV2(OF3)2,-6.7633227782,-3.0242006493,0.1006652086,0.1006652086,GGA+U,P1,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V,11.0,A6BC2D2_aP11_1_6a_a_2a_2a:F-Mg-O-V +mp-2217701,MgV2(OF3)2,-6.7900282782,-3.0509061493,0.0739597086,0.0739597086,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_c:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_c:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2217726,MgV2(OF3)2,-6.7724446236,-3.0333224948,0.0915433632,0.0915433632,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_c:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_c:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2217347,MgV2(OF3)2,-6.7203179445,-2.9811958157,0.1436700423,0.1436700423,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_ab:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_ab:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2217581,MgV2(OF3)2,-6.7234312782,-2.9843091493,0.1405567086,0.1405567086,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_ab:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_ab:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2217918,MgV2(OF3)2,-6.7521790455,-3.0130569166,0.1118089414,0.1118089414,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_c:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_c:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2217647,MgV2(OF3)2,-6.79211514,-3.0529930111,0.0718728468,0.0718728468,GGA+U,C2,A6BC2D2_mC22_5_3c_a_c_c:F-Mg-O-V,11.0,"Invalid WP multiplicities - A6BC2D2_mC22_5_6c_a_c_c:F-Mg-O-V, expected MgV2(OF6)2 to be MgV2(OF3)2" +mp-2230997,MgV4(OF6)2,-6.7468647184,-3.0222842257,0.1480275919,0.1480275919,GGA+U,P1,A12BC2D4_aP19_1_12a_a_2a_4a:F-Mg-O-V,19.0,A12BC2D4_aP19_1_12a_a_2a_4a:F-Mg-O-V +mp-2229136,MgV4O7F5,-7.5257824741,-2.6951871714,0.1206482745,0.1206482745,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229039,MgV4O7F5,-7.4991220071,-2.6685267043,0.1473087416,0.1473087416,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229171,MgV4O7F5,-7.5466919335,-2.7160966308,0.0997388151,0.0997388151,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229043,MgV4O7F5,-7.4897758453,-2.6591805426,0.1566549033,0.1566549033,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229202,MgV4O7F5,-7.5127224024,-2.6821270996,0.1337083463,0.1337083463,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228986,MgV4O7F5,-7.5547881424,-2.7241928396,0.0916426063,0.0916426063,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228997,MgV4O7F5,-7.5281944847,-2.6975991820000003,0.1182362639,0.1182362639,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229492,MgV4O7F5,-7.5021174035,-2.6715221008,0.1443133451,0.1443133451,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228977,MgV4O7F5,-7.4961768382,-2.6655815355,0.1502539104,0.1502539104,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229159,MgV4O7F5,-7.5410530853,-2.7104577826,0.1053776633,0.1053776633,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229241,MgV4O7F5,-7.5271543724,-2.6965590696,0.1192763763,0.1192763763,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229042,MgV4O7F5,-7.4907130835,-2.6601177808000003,0.1557176651,0.1557176651,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229358,MgV4O7F5,-7.5407193312,-2.7101240285,0.1057114175,0.1057114175,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228970,MgV4O7F5,-7.4911457294,-2.6605504267,0.1552850192,0.1552850192,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228942,MgV4O7F5,-7.5096895565,-2.6790942537,0.1367411922,0.1367411922,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229230,MgV4O7F5,-7.5517844324,-2.7211891296,0.0946463163,0.0946463163,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229172,MgV4O7F5,-7.5047822188,-2.6741869161,0.1416485298,0.1416485298,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229250,MgV4O7F5,-7.4941683618,-2.663573059,0.1522623869,0.1522623869,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229538,MgV4O7F5,-7.4866547924,-2.6560594896,0.1597759563,0.1597759563,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229144,MgV4O7F5,-7.5408304912,-2.7102351885,0.1056002575,0.1056002575,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228975,MgV4O7F5,-7.5253022794,-2.6947069767,0.1211284692,0.1211284692,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229070,MgV4O7F5,-7.5532400388,-2.7226447361,0.0931907098,0.0931907098,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229645,MgV4O7F5,-7.5463997118,-2.715804409,0.1000310369,0.1000310369,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229276,MgV4O7F5,-7.4804023512,-2.6498070485,0.1660283975,0.1660283975,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2228992,MgV4O7F5,-7.5171836765,-2.6865883737000003,0.1292470722,0.1292470722,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229056,MgV4O7F5,-7.5106938576,-2.6800985549,0.135736891,0.135736891,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229588,MgV4O7F5,-7.5303861512,-2.6997908485,0.1160445975,0.1160445975,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229047,MgV4O7F5,-7.5389490906,-2.7083537879,0.107481658,0.107481658,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229321,MgV4O7F5,-7.5056196841,-2.6750243814,0.1408110645,0.1408110645,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229129,MgV4O7F5,-7.471932995299999,-2.6413376926,0.1744977533,0.1744977533,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-2229368,MgV4O7F5,-7.5205363259,-2.6899410232000003,0.1258944227,0.1258944227,GGA+U,P1,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V,17.0,A5BC7D4_aP17_1_5a_a_7a_4a:F-Mg-O-V +mp-1233721,MgV6O11F,-8.3858602411,-2.4685564905,0.1843120018,0.1843120018,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:F-Mg-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:F-Mg-O-V +mp-554413,V2Te2O7F2,-6.9653768685,-2.1265920346,0.0294362851,0.0294362851,GGA+U,P-1,A2B7C2D2_aP13_2_i_a3i_i_i:F-O-Te-V,13.0,"Invalid WP multiplicities - A2B7C2D2_aP13_2_i_a5i_i_i:F-O-Te-V, expected V2Te2O11F2 to be V2Te2O7F2" +mp-2229473,MgV4O5F7,-7.3349790118,-2.8614672083,0.1237578525,0.1237578525,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229334,MgV4O5F7,-7.3502515106,-2.8767397071,0.1084853537,0.1084853537,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229086,MgV4O5F7,-7.3143108671,-2.8407990636,0.1444259973,0.1444259973,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229120,MgV4O5F7,-7.3319272559,-2.8584154524,0.1268096084,0.1268096084,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229363,MgV4O5F7,-7.3321028435,-2.8585910401,0.1266340208,0.1266340208,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224443,MgV4O5F7,-7.3281863735,-2.8546745701000003,0.1305504908,0.1305504908,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229415,MgV4O5F7,-7.3240741294,-2.850562326,0.1346627349,0.1346627349,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229138,MgV4O5F7,-7.3470561618,-2.8735443583,0.1116807025,0.1116807025,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2232889,MgV4O5F7,-7.3238173424,-2.8503055389,0.134919522,0.134919522,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229111,MgV4O5F7,-7.3523057535,-2.8787939501,0.1064311108,0.1064311108,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229110,MgV4O5F7,-7.3384149112,-2.8649031077,0.1203219531,0.1203219531,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2233000,MgV4O5F7,-7.3569642365,-2.883452433,0.1017726278,0.1017726278,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229108,MgV4O5F7,-7.3520875159,-2.8785757124,0.1066493484,0.1066493484,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2228928,MgV4O5F7,-7.3271489488,-2.8536371454,0.1315879155,0.1315879155,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224238,MgV4O5F7,-7.3036301053,-2.8301183018,0.155106759,0.155106759,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2228936,MgV4O5F7,-7.3322918035,-2.8587800001,0.1264450608,0.1264450608,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229149,MgV4O5F7,-7.3579037347,-2.8843919312,0.1008331296,0.1008331296,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224822,MgV4O5F7,-7.2570268741,-2.7835150707,0.2017099902,0.2017099902,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229177,MgV4O5F7,-7.3460665535,-2.8725547501,0.1126703108,0.1126703108,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224232,MgV4O5F7,-7.3488924824,-2.8753806789,0.109844382,0.109844382,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2228972,MgV4O5F7,-7.3468369588,-2.8733251554,0.1118999055,0.1118999055,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224803,MgV4O5F7,-7.3594385988,-2.8859267954,0.0992982655,0.0992982655,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224257,MgV4O5F7,-7.3419998982,-2.8684880948,0.1167369661,0.1167369661,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224265,MgV4O5F7,-7.3106953535,-2.8371835501,0.1480415108,0.1480415108,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224829,MgV4O5F7,-7.3454562524,-2.8719444489,0.113280612,0.113280612,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229292,MgV4O5F7,-7.3259163182,-2.8524045148,0.1328205461,0.1328205461,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229009,MgV4O5F7,-7.33520867,-2.8616968665,0.1235281943,0.1235281943,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2229608,MgV4O5F7,-7.3302876041,-2.8567758007,0.1284492602,0.1284492602,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Mg-O-V +mp-2224434,MgV4(OF2)4,-7.2373359106,-2.9423658568,0.1253643529,0.1253643529,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2228966,MgV4(OF2)4,-7.2238349829,-2.9288649291,0.1388652806,0.1388652806,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2228940,MgV4(OF2)4,-7.2370579053,-2.9420878515,0.1256423582,0.1256423582,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2224823,MgV4(OF2)4,-7.2342860706,-2.9393160168,0.1284141929,0.1284141929,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2229038,MgV4(OF2)4,-7.2352700353,-2.9402999815,0.1274302282,0.1274302282,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2229073,MgV4(OF2)4,-7.2127727741,-2.9178027203,0.1499274894,0.1499274894,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2229315,MgV4(OF2)4,-7.2339047135,-2.9389346597,0.12879555,0.12879555,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-O-V +mp-2228955,MgV4(OF2)4,-7.1829402671,-2.8879702132,0.1797599965,0.1797599965,GGA+U,P2,A8BC4D4_mP17_3_abcd2e_a_2e_2e:F-Mg-O-V,17.0,A8BC4D4_mP17_3_abcd2e_a_2e_2e:F-Mg-O-V +mp-1157227,Y2Si3(WO4)3,-8.7366948415,-2.3645172644,0.6078983684,0.6078983684,GGA+U,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:O-Si-W-Y,80.0,A12B3C3D2_cI160_230_h_d_c_a:O-Si-W-Y +mp-1248937,Y4Si2Sb2W13O28,-8.963836989,-1.7814390319000002,0.5841249806000001,0.5841249806000001,GGA+U,P-1,A28B2C2D13E4_aP49_2_14i_i_i_a6i_2i:O-Sb-Si-W-Y,49.0,"Invalid WP multiplicities - A28B2C2D13E4_aP49_2_26i_i_i_a12i_4i:O-Sb-Si-W-Y, expected Y8Si2Sb2W25O52 to be Y4Si2Sb2W13O28" +mp-1044904,Y4Si2Sb2W13O28,-8.8918127598,-1.7094148027,0.6561492098,0.6561492098,GGA+U,C2/m,A28B2C2D13E4_mC98_12_2i6j_g_i_a2g2j_j:O-Sb-Si-W-Y,49.0,"Invalid WP multiplicities - A28B2C2D13E4_mC98_12_4i21j_g_i_a4g7j_j:O-Sb-Si-W-Y, expected Y4Si2Sb2W37O92 to be Y4Si2Sb2W13O28" +mp-1047347,YSb(WO4)2,-8.6334698467,-2.2930329714,0.1851640891,0.1851640891,GGA+U,P1,A8BC2D_aP12_1_8a_a_2a_a:O-Sb-W-Y,12.0,A8BC2D_aP12_1_8a_a_2a_a:O-Sb-W-Y +mp-1041730,YSb(WO4)2,-8.7792548758,-2.4388180006,0.0393790599,0.0393790599,GGA+U,P2/c,A8BC2D_mP24_13_4g_e_g_f:O-Sb-W-Y,24.0,A8BC2D_mP24_13_4g_e_g_f:O-Sb-W-Y +mp-720712,Cr2H24(IN3)3,-5.3077105343,-0.5661296555,0.0,-0.0278128139,GGA,P6_3/mmc,A2B24C3D9_hP76_194_f_jkl_bf_hk:Cr-H-I-N,76.0,A2B24C3D9_hP76_194_f_jkl_bf_hk:Cr-H-I-N +mp-1181888,CrH12I(N2Cl)2,-5.1627450045,-0.7186360355,0.0,-0.01692704,GGA,C2/m,A2BC12DE4_mC40_12_i_a_3j_d_j:Cl-Cr-H-I-N,20.0,A2BC12DE4_mC40_12_i_a_3j_c_j:Cl-Cr-H-I-N +mp-1214385,CrI7N6,-5.0524978893,-0.0535277843,0.3106210417,0.3106210417,GGA,C2/m,AB7C6_mC28_12_a_d3i_ij:Cr-I-N,14.0,AB7C6_mC28_12_a_d3i_ij:Cr-I-N +mp-758907,CrH18I7N6,-4.6639919956,-0.5685341744,0.0177520776,0.0177520776,GGA,C2/m,AB18C7D6_mC64_12_a_i4j_d3i_ij:Cr-H-I-N,32.0,"Invalid WP multiplicities - AB18C7D6_mC64_12_a_i8j_c4i_i2j:Cr-H-I-N, expected CrH34I9N10 to be CrH18I7N6" +mp-1212261,K2Be2Zn(O3F4)2,-4.4904663029,-1.546712027,0.659521468,0.659521468,GGA,P2_1/c,A2B8C2D6E_mP38_14_e_4e_e_3e_a:Be-F-K-O-Zn,38.0,A2B8C2D6E_mP38_14_e_4e_e_3e_a:Be-F-K-O-Zn +mp-18509,KBe3ZnF9,-5.5140126661,-3.3146061047,0.0,-0.0160585787,GGA,P-6c2,A3B9CD_hP28_188_k_kl_a_c:Be-F-K-Zn,28.0,"Invalid WP multiplicities - A3B9CD_hP28_188_k_k2l_a_c:Be-F-K-Zn, expected KBe3ZnF15 to be KBe3ZnF9" +mp-6372,K2Be3Zn2F12,-5.2225483092000005,-3.1753761345,0.0087197451,0.0087197451,GGA,P2_13,A3B12C2D2_cP76_198_b_4b_2a_2a:Be-F-K-Zn,76.0,"Invalid WP multiplicities - A3B12C2D2_cP76_198_b_8b_2a_2a:Be-F-K-Zn, expected K2Be3Zn2F24 to be K2Be3Zn2F12" +mp-1202646,CuH6C2SeI,-4.5766955475,-0.2237708427,0.0475829044,0.0475829044,GGA,P2_1/c,A2BC6DE_mP44_14_2e_e_6e_e_e:C-Cu-H-I-Se,44.0,A2BC6DE_mP44_14_2e_e_6e_e_e:C-Cu-H-I-Se +mp-22159,UNiAs2,-7.2075859312,-0.6101400562,0.0,-0.0364845214,GGA,P4/nmm,A2BC_tP8_129_ac_b_c:As-Ni-U,8.0,"Invalid WP multiplicities - A2BC_tP8_129_2a2c_b_c:As-Ni-U, expected UNiAs4 to be UNiAs2" +mp-865508,U2Ni12As7,-6.330095379,-0.3987482831,0.0,-0.0352294637,GGA,P-6,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-U,21.0,A7B12C2_hP21_174_ajk_2j2k_cf:As-Ni-U +mp-1199639,U2NiAs2(HO)24,-6.1748110655,-1.6875063926,0.001066506,0.001066506,GGA+U,P-1,A2B24CD24E2_aP53_2_i_12i_a_12i_i:As-H-Ni-O-U,53.0,A2B24CD24E2_aP53_2_i_12i_a_12i_i:As-H-Ni-O-U +mp-1208389,U2NiAs2(HO)24,-6.1660015115,-1.6786968387,0.00987606,0.00987606,GGA+U,P-1,A2B24CD24E2_aP53_2_i_12i_a_12i_i:As-H-Ni-O-U,53.0,A2B24CD24E2_aP53_2_i_12i_a_12i_i:As-H-Ni-O-U +mp-1207854,UNiAs,-7.8047008417,-0.56114581,0.0,-0.002667291,GGA,P6_3/mmc,ABC_hP12_194_f_f_ab:As-Ni-U,12.0,ABC_hP12_194_f_f_ab:As-Ni-U +mp-1078649,U(NiAs)2,-6.882705082,-0.448721046,0.0669057288,0.0669057288,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:As-Ni-U,10.0,A2B2C_tP10_129_ac_bc_c:As-Ni-U +mp-1216884,U2Ni3As4,-7.0415059122,-0.53487217,0.0227605077,0.0227605077,GGA,P4mm,A4B3C2_tP9_99_abc_ac_ab:As-Ni-U,9.0,A4B3C2_tP9_99_abc_ac_ab:As-Ni-U +mp-732227,SbAsN(O2F)2,-5.5594452539,-1.0334088817,0.7203775629,0.7203775629,GGA,P2_1/c,AB2CD4E_mP36_14_e_2e_e_4e_e:As-F-N-O-Sb,36.0,AB2CD4E_mP36_14_e_2e_e_4e_e:As-F-N-O-Sb +mp-699474,Sc2Cu3H36(NF)12,-4.8557299418,-0.7007086718000001,0.5251101785,0.5251101785,GGA,P-1,A3B12C36D12E2_aP65_2_bcd_6i_18i_6i_ah:Cu-F-H-N-Sc,65.0,A3B12C36D12E2_aP65_2_bcd_6i_18i_6i_ah:Cu-F-H-N-Sc +mp-1196584,ScH4NF4,-5.9467232143,-2.3581448063,0.0013496852,0.0013496852,GGA,Pnma,A4B4CD_oP80_62_2c3d_4c2d_2c_d:F-H-N-Sc,80.0,A4B4CD_oP80_62_2c3d_4c2d_2c_d:F-H-N-Sc +mp-1195044,Cu2H18N7F2,-4.9765331428,-0.4439157441,0.1939624892,0.1939624892,GGA,C2,A2B2C18D7_mC116_5_2ac_2c_18c_7c:Cu-F-H-N,58.0,A2B2C18D7_mC116_5_2ac_2c_18c_7c:Cu-F-H-N +mp-697922,ScH8(NF2)3,-5.2790249506,-1.3927673925,0.4370505127,0.4370505127,GGA,P2_1/c,A6B8C3D_mP36_14_3e_4e_ae_d:F-H-N-Sc,36.0,A6B8C3D_mP36_14_3e_4e_ae_d:F-H-N-Sc +mp-1213087,CuH2(NF2)2,-3.9441566072,-0.0326494428,1.3386242061,1.3386242061,GGA,Cmce,AB4C2D2_oC36_64_a_df_d_d:Cu-F-H-N,18.0,AB4C2D2_oC36_64_a_df_d_d:Cu-F-H-N +mp-1232306,Sc(CuN)3,-6.3868641414,-0.1526393,0.4454306929,0.4454306929,GGA,Pm-3m,A3B3C_cP7_221_c_d_a:Cu-N-Sc,7.0,A3B3C_cP7_221_c_d_a:Cu-N-Sc +mp-1195932,Sc3H20N5F14,-5.6737722904,-1.9762697098,0.0139034524,0.0139034524,GGA,I4_1/a,A14B20C5D3_tI168_88_e3f_5f_af_be:F-H-N-Sc,84.0,A14B20C5D3_tI168_88_e3f_5f_af_be:F-H-N-Sc +mp-1196858,Rb2CuP4(HO2)8,-6.3613725839,-2.0387173393,0.0070464442,0.0070464442,GGA,P-1,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Cu-H-O-P-Rb,31.0,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Cu-H-O-P-Rb +mp-1196718,Rb2U2Cr2O15F2,-7.4108723583,-2.1120344579,0.2440483018,0.2440483018,GGA+U,P2_1/c,A2B2C15D2E2_mP92_14_2e_2e_15e_2e_2e:Cr-F-O-Rb-U,92.0,A2B2C15D2E2_mP92_14_2e_2e_15e_2e_2e:Cr-F-O-Rb-U +mp-1200363,Rb2U3(O5F4)2,-6.969282727,-2.5956298127,0.3019751693,0.3019751693,GGA,Ama2,A8B10C2D3_oC92_40_4c_a3b3c_2b_ac:F-O-Rb-U,46.0,A8B10C2D3_oC92_40_4c_a3b3c_2b_ac:F-O-Rb-U +mp-1195761,RbU2F9,-7.2380350825,-3.8408130158,0.0042389224,0.0042389224,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-Rb-U,48.0,A9BC2_oP48_62_c4d_c_d:F-Rb-U +mp-1219634,RbCrO3F,-6.6564616954,-2.0922739215,0.0119921432,0.0119921432,GGA+U,P2_12_12_1,ABC3D_oP24_19_a_a_3a_a:Cr-F-O-Rb,24.0,ABC3D_oP24_19_a_a_3a_a:Cr-F-O-Rb +mp-1194637,RbUF5,-6.8773114404,-3.7588344518,0.0,-0.022282078,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Rb-U,56.0,A5BC_mP56_14_10e_2e_2e:F-Rb-U +mp-1194634,RbU3F13,-7.3902104715,-3.8782110197,0.0023422365,0.0023422365,GGA,Pmc2_1,A13BC3_oP34_26_2a3b4c_a_bc:F-Rb-U,34.0,A13BC3_oP34_26_2a3b4c_a_bc:F-Rb-U +mp-13595,Rb2UF6,-6.3443550689,-3.5975381844000003,0.0,-0.0352139497,GGA,Cmcm,A6B2C_oC36_63_f2g_f_c:F-Rb-U,18.0,"Invalid WP multiplicities - A6B2C_oC36_63_f3g_f_c:F-Rb-U, expected Rb2UF8 to be Rb2UF6" +mp-1205621,Rb3UF6,-5.764817345,-3.1946287418,0.0960710753,0.0960710753,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-Rb-U,10.0,A6B3C_tI20_139_ei_bd_a:F-Rb-U +mp-1209699,RbU3F10,-7.4727672788,-3.6177991518,0.0445067089,0.0445067089,GGA,P6_3mc,A10BC3_hP56_186_2b4cd_ab_2c:F-Rb-U,56.0,A10BC3_hP56_186_2b4cd_ab_2c:F-Rb-U +mp-1518107,KBaCeWO6,-8.091787587,-2.9317150331,0.0102601558,0.0102601558,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Ce-K-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Ce-K-O-W, expected K2BaCeWO12 to be KBaCeWO6" +mp-1518146,KBaCeWO6,-8.055709358,-2.8956368041,0.0463383848,0.0463383848,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Ce-K-O-W +mp-753626,Li2NdPCO7,-7.5673136612,-2.7460818159,0.1038240042,0.1038240042,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Nd-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-Li-Nd-O-P, expected Li2NdPCO13 to be Li2NdPCO7" +mp-6567,LiNd(PO3)4,-7.7272842919,-2.8555873552,0.0715339917,0.0540810927,GGA,C2/c,ABC12D4_mC72_15_a_e_6f_2f:Li-Nd-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_a_e_7f_2f:Li-Nd-O-P, expected LiNd(P2O7)2 to be LiNd(PO3)4" +mp-18711,LiNd(PO3)4,-7.7988182836,-2.9271213469,0.0,-0.0174528989,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Li-Nd-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Li-Nd-O-P +mp-1211846,LiNd(C2O5)2,-7.4324491002,-1.6162853888000002,0.5676908767000001,0.5676908767000001,GGA,P2/c,A4BCD10_mP64_13_2e3g_g_g_10g:C-Li-Nd-O,64.0,A4BCD10_mP64_13_2e3g_g_g_10g:C-Li-Nd-O +mp-1247205,CsS2N3,-5.6329787042,0.0633191093,0.5793513403,0.5793513403,GGA,C2/c,AB3C2_mC48_15_2e_3f_2f:Cs-N-S,24.0,AB3C2_mC48_15_2e_3f_2f:Cs-N-S +mp-614311,CsCSN,-6.3194876238,-0.6702344596,0.0,-0.0692558115,GGA,Pnma,ABCD_oP16_62_c_c_c_c:C-Cs-N-S,16.0,ABCD_oP16_62_c_c_c_c:C-Cs-N-S +mp-1196478,CsHgC3(SN)3,-6.247946274,-0.2203177658,0.138624792,0.138624792,GGA,P2_1/c,A3BCD3E3_mP88_14_6e_2e_2e_6e_6e:C-Cs-Hg-N-S,88.0,A3BCD3E3_mP88_14_6e_2e_2e_6e_6e:C-Cs-Hg-N-S +mp-1189850,H6C2SeO,-5.027263317,-0.3016345726,0.2101710833,0.2101710833,GGA,P-1,A2B6CD_aP20_2_2i_6i_i_i:C-H-O-Se,20.0,A2B6CD_aP20_2_2i_6i_i_i:C-H-O-Se +mp-697981,Cd3H2CSeO8,-5.6223063698,-1.4988258345,0.0033649249,0.0033649249,GGA,Pnma,AB3C2D8E_oP60_62_c_cd_d_2c3d_c:C-Cd-H-O-Se,60.0,AB3C2D8E_oP60_62_c_cd_d_2c3d_c:C-Cd-H-O-Se +mp-1211621,LiZnP2HO7,-6.7533714618000005,-2.4188032523,0.0,-0.0078033959,GGA,Pca2_1,ABC7D2E_oP96_29_2a_2a_14a_4a_2a:H-Li-O-P-Zn,96.0,ABC7D2E_oP96_29_2a_2a_14a_4a_2a:H-Li-O-P-Zn +mp-703550,LiZnPH2O5,-6.1564028152,-2.1463163523,0.0212737565,0.0212737565,GGA,Pca2_1,A2BC5DE_oP80_29_4a_2a_10a_2a_2a:H-Li-O-P-Zn,80.0,A2BC5DE_oP80_29_4a_2a_10a_2a_2a:H-Li-O-P-Zn +mp-24585,LiZnPH2O5,-6.1571996433,-2.1471131803,0.0204769285,0.0204769285,GGA,Pna2_1,A2BC5DE_oP40_33_2a_a_5a_a_a:H-Li-O-P-Zn,40.0,A2BC5DE_oP40_33_2a_a_5a_a_a:H-Li-O-P-Zn +mp-557467,Li4Ca(BO3)2,-6.8310271265,-2.7787034992,0.0,-0.0119990979,GGA,Pnnm,A2BC4D6_oP26_58_g_a_2g_3g:B-Ca-Li-O,26.0,A2BC4D6_oP26_58_g_a_2g_3g:B-Ca-Li-O +mp-1197163,Li5Ca9B7O21F2,-7.3083295609,-3.17073464,0.0021386242,0.0021386242,GGA,P1,A7B9C2D5E21_aP44_1_7a_9a_2a_5a_21a:B-Ca-F-Li-O,44.0,A7B9C2D5E21_aP44_1_7a_9a_2a_5a_21a:B-Ca-F-Li-O +mp-561237,LiCaBO3,-7.2515377304,-3.0125409552,0.0,-9.4062e-06,GGA,Pbca,ABCD3_oP48_61_c_c_c_3c:B-Ca-Li-O,48.0,"Invalid WP multiplicities - ABCD3_oP48_61_c_c_c_14c:B-Ca-Li-O, expected LiCaBO14 to be LiCaBO3" +mp-966801,LiCaBO3,-7.2490561817,-3.0100594065,0.0024815488,0.0024721425,GGA,Ibca,ABCD3_oI48_73_c_c_d_cf:B-Ca-Li-O,24.0,ABCD3_oI48_73_c_c_d_cf:B-Ca-Li-O +mp-746364,CrH12Pd(NO)4,-5.7381862914,-0.798260093,0.0936521294,0.0936521294,GGA+U,I4_1/amd,AB12C4D4E_tI88_141_a_hi_h_h_b:Cr-H-N-O-Pd,44.0,AB12C4D4E_tI88_141_a_hi_h_h_b:Cr-H-N-O-Pd +mp-1063607,CrPdO2,-7.8677018675,-1.6861251919,0.0,-0.0089150881,GGA+U,R-3m,AB2C_hR12_166_a_c_b:Cr-O-Pd,16.0,AB2C_hR12_166_a_c_b:Cr-O-Pd +mp-1203909,KZnSi3(H11C4)3,-5.0125333037,-0.1855324629,0.0596589131,0.0596589131,GGA,P2_1/c,A12B33CD3E_mP200_14_12e_33e_e_3e_e:C-H-K-Si-Zn,200.0,A12B33CD3E_mP200_14_12e_33e_e_3e_e:C-H-K-Si-Zn +mp-1211828,K2RbEuV2O8,-7.6541209693,-2.5684312838,0.0,-0.0100718688,GGA+U,P-3m1,AB2C8DE2_hP14_164_a_d_di_b_d:Eu-K-O-Rb-V,14.0,AB2C8DE2_hP14_164_a_d_di_b_d:Eu-K-O-Rb-V +mp-1520123,KEuV4O12,-8.3479516161,-2.3999910849,0.1201217622,0.1201217622,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Eu-K-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Eu-K-O-V, expected KEuV4O18 to be KEuV4O12" +mp-542181,K3EuV2O8,-7.6623289654,-2.5673632174,0.0,-0.0176537461,GGA+U,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Eu-K-O-V,28.0,AB3C8D2_mP28_11_e_3e_4e2f_2e:Eu-K-O-V +mp-1209368,Rb3HoV2O8,-7.3832433871,-2.721433893,0.0,-0.0270996031,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Ho-O-Rb-V,14.0,AB8C3D2_hP14_164_a_di_bd_d:Ho-O-Rb-V +mp-1104967,K3HoV2O8,-7.4215889507,-2.7319512692,0.0,-0.0271148497,GGA+U,P-3m1,AB3C8D2_hP14_164_a_bd_di_d:Ho-K-O-V,14.0,AB3C8D2_hP14_164_a_bd_di_d:Ho-K-O-V +mp-1211709,K2RbHoV2O8,-7.4201741493,-2.7398125302,0.0,-0.0113670531,GGA+U,P-3m1,AB2C8DE2_hP14_164_a_d_di_b_d:Ho-K-O-Rb-V,14.0,AB2C8DE2_hP14_164_a_d_di_b_d:Ho-K-O-Rb-V +mp-1198299,CoB10(H13O4)2,-5.1743807002,-0.6924557588,0.2082300999,0.2082300999,GGA+U,C2/c,A10BC26D8_mC180_15_5f_c_13f_4f:B-Co-H-O,90.0,A10BC26D8_mC180_15_5f_a_13f_4f:B-Co-H-O +mp-1197918,Co7B24(H3O23)2,-7.9225073913,-2.4048246919,0.0793439608,0.0793439608,GGA+U,Pbam,A24B7C6D46_oP166_55_6i_ag2h_gi_4g3h8i:B-Co-H-O,166.0,A24B7C6D46_oP166_55_6i_ag2h_gi_4g3h8i:B-Co-H-O +mp-1199160,Co3B11HO20,-8.1201119859,-2.4879758964,0.0879356721,0.0879356721,GGA+U,Pmn2_1,A11B3CD20_oP140_31_11b_6a_b_12a14b:B-Co-H-O,140.0,A11B3CD20_oP140_31_11b_6a_b_12a14b:B-Co-H-O +mp-774813,Rb2CoB12(H2O3)10,-6.7719085837,-2.0722582848,0.0217950384,0.0217950384,GGA+U,P-1,A12BC20D30E2_aP65_2_6i_a_10i_15i_i:B-Co-H-O-Rb,65.0,"Invalid WP multiplicities - A12BC20D30E2_aP65_2_11i_a_19i_29i_i:B-Co-H-O-Rb, expected Rb2CoB22(H19O29)2 to be Rb2CoB12(H2O3)10" +mp-1523210,KLaFeWO6,-8.145095482,-2.4296265061,0.1456554655,0.1456554655,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Fe-K-La-O-W +mp-1201439,CaVSi4(H2O5)3,-7.0715321819,-2.3549594038,0.1174015078,0.1174015078,GGA+U,Cmc2_1,AB6C15D4E_oC108_36_a_2a2b_3a6b_2b_a:Ca-H-O-Si-V,54.0,AB6C15D4E_oC108_36_a_2a2b_3a6b_2b_a:Ca-H-O-Si-V +mp-1214832,CaVSi4H12O11,-6.022482545,-1.6115492197,0.2959110358,0.2959110358,GGA+U,Pnma,AB12C11D4E_oP116_62_c_4c4d_c5d_2d_c:Ca-H-O-Si-V,116.0,AB12C11D4E_oP116_62_c_4c4d_c5d_2d_c:Ca-H-O-Si-V +mp-1198008,CaVSi4H8O15,-6.9947304896,-2.3694574862,0.0320863683,0.0320863683,GGA+U,Pnma,AB8C15D4E_oP116_62_c_2c3d_3c6d_2d_c:Ca-H-O-Si-V,116.0,AB8C15D4E_oP116_62_c_2c3d_3c6d_2d_c:Ca-H-O-Si-V +mp-1197934,Sr2Mn3P4(HO8)2,-7.8164766543,-2.6886724217,0.000680009,0.000680009,GGA+U,P2_1/c,A2B3C16D4E2_mP54_14_e_ae_8e_2e_e:H-Mn-O-P-Sr,54.0,A2B3C16D4E2_mP54_14_e_ae_8e_2e_e:H-Mn-O-P-Sr +mp-729185,V3HPb5O13,-7.1611395684,-2.0013835297,0.0,-0.0087641073,GGA+U,P6_3,AB13C5D3_hP44_173_a_a4c_2bc_c:H-O-Pb-V,44.0,"Invalid WP multiplicities - AB13C5D3_hP44_173_a_a6c_4bc_c:H-O-Pb-V, expected V3HPb7O19 to be V3HPb5O13" +mp-505289,VCuHPbO5,-6.7254140219,-1.7229774207,0.0117190636,0.0117190636,GGA+U,Pnma,ABC5DE_oP36_62_a_c_3cd_c_c:Cu-H-O-Pb-V,36.0,ABC5DE_oP36_62_a_c_3cd_c_c:Cu-H-O-Pb-V +mp-1200480,Nd2V2H2Se4O17,-6.978161092,-2.0682754218,0.001015473,0.001015473,GGA+U,C2/c,A2B2C17D4E2_mC108_15_f_f_e8f_2f_f:H-Nd-O-Se-V,54.0,A2B2C17D4E2_mC108_15_f_f_e8f_2f_f:H-Nd-O-Se-V +mp-704623,Nd7V(Se2O)4,-7.1192603952,-2.6085111571,0.0171476605,0.0171476605,GGA+U,Pbam,A7B4C8D_oP40_55_ag2h_gh_2g2h_c:Nd-O-Se-V,40.0,"Invalid WP multiplicities - A7B4C8D_oP40_55_2a4g7h_2g2h_5g7h_c:Nd-O-Se-V, expected Nd24V(Se3O)8 to be Nd7V(Se2O)4" +mp-24574,NdH5(SeO4)2,-5.9886585453,-1.7200891514,0.0,-0.0064252845,GGA,P2_12_12_1,A5BC8D2_oP64_19_5a_a_8a_2a:H-Nd-O-Se,64.0,A5BC8D2_oP64_19_5a_a_8a_2a:H-Nd-O-Se +mp-1195973,NdH5(SeO4)2,-5.9732197578,-1.7046503639,0.0154387875,0.009013503,GGA,P2_12_12_1,A5BC8D2_oP64_19_5a_a_8a_2a:H-Nd-O-Se,64.0,A5BC8D2_oP64_19_5a_a_8a_2a:H-Nd-O-Se +mp-1202675,NdH3(SeO4)3,-5.9712448229,-1.5083856368,0.0,-0.0541772663,GGA,P6_3/m,A3BC12D3_hP38_176_h_c_2hi_h:H-Nd-O-Se,38.0,A3BC12D3_hP38_176_h_c_2hi_h:H-Nd-O-Se +mp-1207192,NdHSe,-5.5257788867,-1.6401839016,0.0,-0.1372569059,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:H-Nd-Se,6.0,ABC_hP6_194_c_d_a:H-Nd-Se +mp-1204742,Nd2H6Se7O20,-6.0310202012,-1.6510828954,0.0,-0.0045075553,GGA,Pna2_1,A6B2C20D7_oP140_33_6a_2a_20a_7a:H-Nd-O-Se,140.0,A6B2C20D7_oP140_33_6a_2a_20a_7a:H-Nd-O-Se +mp-758444,Li7V4O11F,-7.1227175422,-2.5130158405,0.0549209783,0.0549209783,GGA+U,P1,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V,23.0,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V +mp-759231,Li7V4O11F,-7.1007783648,-2.4910766631,0.0768601557,0.0768601557,GGA+U,P1,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V,23.0,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V +mp-764844,Li7V4O11F,-7.104825673,-2.4951239714,0.0728128474,0.0728128474,GGA+U,P1,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V,23.0,AB7C11D4_aP23_1_a_7a_11a_4a:F-Li-O-V +mp-554228,Na2VOF4,-6.0048679197,-2.9646727649,0.0,-0.0111897106,GGA+U,C2/c,A4B2CD_mC64_15_4f_2f_f_f:F-Na-O-V,32.0,A4B2CD_mC64_15_4f_2f_f_f:F-Na-O-V +mp-759168,Li3V(OF)2,-6.2873423031,-2.7214660497,0.1087148438,0.1087148438,GGA+U,P2/c,A2B3C2D_mP16_13_g_e2f_g_e:F-Li-O-V,16.0,"Invalid WP multiplicities - A2B3C2D_mP16_13_g_2e4f_g_e:F-Li-O-V, expected Li6V(OF)2 to be Li3V(OF)2" +mp-753080,Li3V(OF)2,-6.3162142084,-2.750337955,0.0798429384,0.0798429384,GGA+U,Cmmm,A2B3C2D_oC16_65_g_af_j_b:F-Li-O-V,32.0,A2B3C2D_oC16_65_g_af_j_b:F-Li-O-V +mp-801743,Li6V2OF11,-4.394581443,-1.6148661083,1.5216227222,1.5216227222,GGA+U,P1,A11B6CD2_aP20_1_11a_6a_a_2a:F-Li-O-V,20.0,A11B6CD2_aP20_1_11a_6a_a_2a:F-Li-O-V +mp-765834,Li6V2OF11,-5.9011501265,-3.1214347918,0.0150540387,0.0150540387,GGA+U,P1,A11B6CD2_aP20_1_11a_6a_a_2a:F-Li-O-V,40.0,"Invalid WP multiplicities - A11B6CD2_aP20_1_11a_6a_a_4a:F-Li-O-V, expected Li6V4OF11 to be Li6V2OF11" +mp-1378948,Li6V2OF11,-5.276029268,-2.4963139333,0.6401748972,0.6401748972,GGA+U,P1,A11B6CD2_aP20_1_11a_6a_a_2a:F-Li-O-V,20.0,A11B6CD2_aP20_1_11a_6a_a_2a:F-Li-O-V +mp-753701,Li6V2OF11,-5.8903614645,-3.1106461298,0.0258427007,0.0258427007,GGA+U,C2,A11B6CD2_mC40_5_a5c_3c_b_c:F-Li-O-V,20.0,"Invalid WP multiplicities - A11B6CD2_mC40_5_a10c_5c_b_c:F-Li-O-V, expected Li10V2OF21 to be Li6V2OF11" +mp-752572,Li2V3O3F5,-7.1239371992,-2.857242975,0.1016847765,0.1016847765,GGA+U,P1,A5B2C3D3_aP13_1_5a_2a_3a_3a:F-Li-O-V,13.0,A5B2C3D3_aP13_1_5a_2a_3a_3a:F-Li-O-V +mp-764201,Li2V3O3F5,-7.1483824238,-2.8816881996,0.0772395519,0.0772395519,GGA+U,Cm,A5B2C3D3_mC26_8_a2b_2a_3a_ab:F-Li-O-V,26.0,"Invalid WP multiplicities - A5B2C3D3_mC26_8_a2b_2a_3a_2a2b:F-Li-O-V, expected Li2V6O3F5 to be Li2V3O3F5" +mp-759139,Li2VO2F,-6.7386813908,-2.6209133586,0.0973463,0.0973463,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V +mp-763177,Li2VO2F,-6.7405947779,-2.6228267457000003,0.0954329129,0.0954329129,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V +mp-763193,Li2VO2F,-6.7418686797,-2.6241006474,0.0941590112,0.0941590112,GGA+U,P1,AB2C2D_aP30_1_5a_10a_10a_5a:F-Li-O-V,30.0,AB2C2D_mC60_8_5a_10a_10a_5a:F-Li-O-V +mp-763203,Li2VO2F,-6.7286874475000005,-2.6109194153,0.1073402433,0.1073402433,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mP24_6_2a2b_4a4b_4a4b_2a2b:F-Li-O-V +mp-763209,Li2VO2F,-6.7338281204,-2.6160600882,0.1021995704,0.1021995704,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V +mp-763212,Li2VO2F,-6.7308187379,-2.6130507057,0.1052089529,0.1052089529,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V +mp-763345,Li2VO2F,-6.7296481163,-2.611880084,0.1063795746,0.1063795746,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V +mp-763197,Li2VO2F,-6.7300538629,-2.6122858307,0.1059738279,0.1059738279,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V +mp-1177759,Li2VO2F,-6.766386635,-2.6486186028,0.0696410558,0.0696410558,GGA+U,P1,AB2C2D_aP12_1_2a_4a_4a_2a:F-Li-O-V,24.0,"Invalid WP multiplicities - AB2C2D_aP12_1_2a_4a_4a_4a:F-Li-O-V, expected Li2V2O2F to be Li2VO2F" +mp-1301550,Li2VO2F,-6.7705613517,-2.6527933194,0.0654663392,0.0654663392,GGA+U,P1,AB2C2D_aP24_1_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC24_12_i_adi_bci_i:F-Li-O-V +mp-1272911,Li2VO2F,-6.7808688162,-2.663100784,0.0551588746,0.0551588746,GGA+U,P-1,AB2C2D_aP12_2_i_aci_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_i_adi_2i_i:F-Li-O-V +mp-1278467,Li2VO2F,-6.7784982508,-2.6607302186,0.05752944,0.05752944,GGA+U,P-1,AB2C2D_aP12_2_ac_2i_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_ad_2i_2i_i:F-Li-O-V +mp-1274092,Li2VO2F,-6.7838058954000005,-2.6660378632,0.0522217954,0.0522217954,GGA+U,P-1,AB2C2D_aP12_2_i_bci_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_i_adi_2i_i:F-Li-O-V +mp-1290831,Li2VO2F,-6.7818511904,-2.6640831582,0.0541765004,0.0541765004,GGA+U,P-1,AB2C2D_aP12_2_i_aei_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_i_aci_2i_i:F-Li-O-V +mp-753438,Li2VO2F,-6.7722922463,-2.6545242140000003,0.0637354446,0.0637354446,GGA+U,C2,AB2C2D_mC48_5_2c_2a3c_4c_a3b:F-Li-O-V,24.0,"Invalid WP multiplicities - AB2C2D_mC48_5_4c_2a6c_7c_a3b:F-Li-O-V, expected Li7V2O7F4 to be Li2VO2F" +mp-777778,Li2VO2F,-6.7698681988,-2.6521001665,0.0661594921,0.0661594921,GGA+U,C2,AB2C2D_mC24_5_c_2c_abc_c:F-Li-O-V,24.0,AB2C2D_mC24_5_c_2c_abc_c:F-Li-O-V +mp-763182,Li2VO2F,-6.7340845454,-2.6163165132,0.1019431454,0.1019431454,GGA+U,Pm,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V,24.0,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V +mp-763190,Li2VO2F,-6.7079271642,-2.5901591319,0.1281005267,0.1281005267,GGA+U,Pm,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V,24.0,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V +mp-763205,Li2VO2F,-6.7238851417,-2.6061171094,0.1121425492,0.1121425492,GGA+U,Pm,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V,24.0,AB2C2D_mP24_6_3ab_4a4b_3a5b_2a2b:F-Li-O-V +mp-753043,Li2VO2F,-6.74468653,-2.6269184978,0.0913411608,0.0913411608,GGA+U,Pm,AB2C2D_mP24_6_abc_2a2b2c_2a2b2c_abc:F-Li-O-V,24.0,AB2C2D_mP24_6_abc_2a2b2c_2a2b2c_abc:F-Li-O-V +mp-1177808,Li2VO2F,-6.7289821421,-2.6112141099,0.1070455487,0.1070455487,GGA+U,Pm,AB2C2D_mP24_6_2a2b_4a4b_4a4b_2a2b:F-Li-O-V,24.0,AB2C2D_mP24_6_2a2b_4a4b_4a4b_2a2b:F-Li-O-V +mp-762922,Li2VO2F,-6.7425627421000005,-2.6247947099,0.0934649487,0.0934649487,GGA+U,Cm,AB2C2D_mC48_8_2ab_4a2b_4a2b_2ab:F-Li-O-V,24.0,AB2C2D_mC48_8_2a2b_4a4b_4a4b_2a2b:F-Li-O-V +mp-763174,Li2VO2F,-6.7383394575,-2.6205714253,0.0976882333,0.0976882333,GGA+U,Cm,AB2C2D_mC48_8_2ab_4a2b_4a2b_2ab:F-Li-O-V,24.0,"Invalid WP multiplicities - AB2C2D_mC48_8_2ab_4a4b_4a4b_2a2b:F-Li-O-V, expected Li6V3(O3F)2 to be Li2VO2F" +mp-763198,Li2VO2F,-6.7373549517,-2.6195869194,0.0986727392,0.0986727392,GGA+U,Cm,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V +mp-763225,Li2VO2F,-6.7328592233,-2.6150911911,0.1031684675,0.1031684675,GGA+U,Cm,AB2C2D_mC60_8_5a_10a_10a_5a:F-Li-O-V,30.0,AB2C2D_mC60_8_5a_10a_10a_5a:F-Li-O-V +mp-753189,Li2VO2F,-6.7369550608,-2.6191870286,0.09907263,0.09907263,GGA+U,Cm,AB2C2D_mC24_8_2a_4a_4a_2a:F-Li-O-V,24.0,"Invalid WP multiplicities - AB2C2D_mC24_8_2a_4a_4a_4a:F-Li-O-V, expected Li2V2O2F to be Li2VO2F" +mp-881153,Li2VO2F,-6.7303636021,-2.6125955699,0.1056640887,0.1056640887,GGA+U,Cm,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V +mp-1177758,Li2VO2F,-6.74515022,-2.6273821878,0.0908774708,0.0908774708,GGA+U,Cm,AB2C2D_mC60_8_5a_10a_10a_5a:F-Li-O-V,30.0,AB2C2D_mC60_8_5a_10a_10a_5a:F-Li-O-V +mp-881005,Li2VO2F,-6.7334293854,-2.6156613532,0.1025983054,0.1025983054,GGA+U,Cm,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V +mp-753045,Li2VO2F,-6.6852004013,-2.567432369,0.1508272896,0.1508272896,GGA+U,Cm,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V,24.0,AB2C2D_mC48_8_4a_8a_8a_4a:F-Li-O-V +mp-1280725,Li2VO2F,-6.7721093308,-2.6543412986,0.06391836,0.06391836,GGA+U,Cm,AB2C2D_mC24_8_2a_4a_4a_2a:F-Li-O-V,12.0,AB2C2D_mC24_12_i_adi_bci_i:F-Li-O-V +mp-861538,Li2VO2F,-6.7278888137,-2.6101207815,0.1081388771,0.1081388771,GGA+U,Cc,AB2C2D_mC48_9_2a_4a_4a_2a:F-Li-O-V,24.0,"Invalid WP multiplicities - AB2C2D_mC48_9_4a_6a_8a_4a:F-Li-O-V, expected Li3V2(O2F)2 to be Li2VO2F" +mp-759119,Li2VO2F,-6.7163017817,-2.5985337494,0.1197259092,0.1197259092,GGA+U,P2/m,AB2C2D_mP12_10_m_aen_chn_m:F-Li-O-V,12.0,"Invalid WP multiplicities - AB2C2D_mP12_10_m_ah2n_cen_m:F-Li-O-V, expected Li3VO2F to be Li2VO2F" +mp-1275346,Li2VO2F,-6.7531994229,-2.6354313907,0.0828282679,0.0828282679,GGA+U,P2/m,AB2C2D_mP12_10_ae_bdm_mn_n:F-Li-O-V,24.0,AB2C2D_oC24_65_ac_bdg_gh_h:F-Li-O-V +mp-777412,Li2VO2F,-6.7879139471,-2.6701459149,0.0481137437,0.0481137437,GGA+U,P2_1/m,AB2C2D_mP12_11_e_2e_2e_e:F-Li-O-V,24.0,AB2C2D_mP12_11_e_2e_2e_e:F-Li-O-V +mp-1273426,Li2VO2F,-6.8113166988,-2.6935486665,0.0247109921,0.0247109921,GGA+U,P2_1/m,AB2C2D_mP12_11_e_2e_2e_e:F-Li-O-V,24.0,AB2C2D_oP12_59_a_2b_2a_b:F-Li-O-V +mp-759482,Li2VO2F,-6.7763077771,-2.6585397449,0.0597199137,0.0597199137,GGA+U,C2/m,AB2C2D_mC24_12_i_aci_bdi_i:F-Li-O-V,24.0,AB2C2D_mC24_12_i_adi_bci_i:F-Li-O-V +mp-758858,Li2VO2F,-6.7833910896,-2.6656230574,0.0526366012,0.0526366012,GGA+U,C2/m,AB2C2D_mC24_12_ac_2i_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_ad_2i_2i_i:F-Li-O-V +mp-777497,Li2VO2F,-6.78855297,-2.6707849378,0.0474747208,0.0474747208,GGA+U,C2/m,AB2C2D_mC24_12_i_aci_2i_i:F-Li-O-V,12.0,AB2C2D_mC24_12_i_aci_2i_i:F-Li-O-V +mp-758805,Li2VO2F,-6.7862452792,-2.6684772469,0.0497824117,0.0497824117,GGA+U,C2/m,AB2C2D_mC24_12_i_adi_2i_i:F-Li-O-V,24.0,AB2C2D_mC24_12_i_aci_2i_i:F-Li-O-V +mp-780295,Li2VO2F,-6.785986995,-2.6682189628,0.0500406958,0.0500406958,GGA+U,C2/m,AB2C2D_mC24_12_i_aci_2i_i:F-Li-O-V,12.0,AB2C2D_mC24_12_i_adi_2i_i:F-Li-O-V +mp-1177757,Li2VO2F,-6.8111923992,-2.6934243669,0.0248352917,0.0248352917,GGA+U,Pmmn,AB2C2D_oP12_59_a_2b_2a_b:F-Li-O-V,12.0,AB2C2D_oP12_59_a_2b_2a_b:F-Li-O-V +mp-763347,Li2VO2F,-6.7724411938,-2.6546731615,0.0635864971,0.0635864971,GGA+U,Cmcm,AB2C2D_oC24_63_c_2c_2c_c:F-Li-O-V,24.0,AB2C2D_mC24_12_i_2i_2i_i:F-Li-O-V +mp-759067,Li2VO2F,-6.7537908183,-2.6360227861,0.0822368725,0.0822368725,GGA+U,Cmmm,AB2C2D_oC24_65_ac_bdg_gh_h:F-Li-O-V,24.0,AB2C2D_oC24_65_ac_bdg_gh_h:F-Li-O-V +mp-763099,Li2VO2F,-6.7292072617,-2.6114392294,0.1068204292,0.1068204292,GGA+U,Immm,AB2C2D_oI12_71_a_f_e_c:F-Li-O-V,6.0,AB2C2D_oI12_71_a_f_e_c:F-Li-O-V +mp-763051,Li2VO2F,-6.8315169429,-2.7137489107,0.0045107479,0.0045107479,GGA+U,P-3m1,AB2C2D_hP6_164_a_d_d_b:F-Li-O-V,24.0,AB2C2D_hP6_164_a_d_d_b:F-Li-O-V +mp-753128,Li2VO2F,-6.82629756,-2.7085295278,0.0097301308,0.0097301308,GGA+U,P-3m1,AB2C2D_hP12_164_d_abd_cd_d:F-Li-O-V,12.0,"Invalid WP multiplicities - AB2C2D_hP12_164_d_ab2d_c2d_d:F-Li-O-V, expected Li3VO3F to be Li2VO2F" +mp-752971,Li4VO4F,-6.4124405815,-2.5706574466000003,0.0652365875,0.0652365875,GGA+U,P2_1,AB4C4D_mP20_4_a_4a_4a_a:F-Li-O-V,20.0,"Invalid WP multiplicities - AB4C4D_mP20_4_a_7a_7a_a:F-Li-O-V, expected Li7VO7F to be Li4VO4F" +mp-752582,Li4VO4F,-6.4485265945,-2.6067434596,0.0291505745,0.0291505745,GGA+U,Cc,AB4C4D_mC40_9_a_4a_4a_a:F-Li-O-V,20.0,"Invalid WP multiplicities - AB4C4D_mC40_9_a_7a_8a_a:F-Li-O-V, expected Li7VO8F to be Li4VO4F" +mp-801066,Li4VO3F2,-3.6233454125,-0.085083252,2.6815305822,2.6815305822,GGA+U,P1,A2B4C3D_aP20_1_4a_8a_6a_2a:F-Li-O-V,20.0,A2B4C3D_aP20_1_4a_8a_6a_2a:F-Li-O-V +mp-764753,Li4VO3F2,-6.2164714958,-2.6782093352,0.088404499,0.088404499,GGA+U,P1,A2B4C3D_aP20_1_4a_8a_6a_2a:F-Li-O-V,40.0,"Invalid WP multiplicities - A2B4C3D_aP20_1_4a_8a_6a_4a:F-Li-O-V, expected Li4V2O3F2 to be Li4VO3F2" +mp-1348419,Li4VO3F2,-4.5590452745,-1.020783114,1.7458307202,1.7458307202,GGA+U,P1,A2B4C3D_aP20_1_4a_8a_6a_2a:F-Li-O-V,20.0,A2B4C3D_aP20_1_4a_8a_6a_2a:F-Li-O-V +mp-758786,Li4VO3F2,-6.2109231775,-2.672661017,0.0939528172,0.0939528172,GGA+U,C2/c,A2B4C3D_mC40_15_f_2f_ef_e:F-Li-O-V,20.0,"Invalid WP multiplicities - A2B4C3D_mC40_15_f_3f_e2f_e:F-Li-O-V, expected Li6VO5F2 to be Li4VO3F2" +mp-760792,LiVOF2,-6.8736652655,-2.9211701489,0.0659788963,0.0659788963,GGA+U,P1,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-O-V,40.0,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-O-V +mp-759785,LiVOF2,-6.8530157948,-2.9005206782,0.086628367,0.086628367,GGA+U,P1,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-O-V,40.0,A2BCD_aP40_1_16a_8a_8a_8a:F-Li-O-V +mp-760801,LiVOF2,-6.8476937812,-2.8951986646,0.0919503806,0.0919503806,GGA+U,P1,A2BCD_aP60_1_24a_12a_12a_12a:F-Li-O-V,60.0,A2BCD_aP60_1_24a_12a_12a_12a:F-Li-O-V +mp-1290585,LiVOF2,-6.916830146,-2.9643350294,0.0228140158,0.0228140158,GGA+U,P-1,A2BCD_aP20_2_4i_2i_2i_2i:F-Li-O-V,20.0,A2BCD_mC40_15_2f_f_f_2e:F-Li-O-V +mp-760299,LiVOF2,-6.8597151882,-2.9072200717000003,0.0799289735,0.0799289735,GGA+U,Pc,A2BCD_mP40_7_8a_4a_4a_4a:F-Li-O-V,40.0,"Invalid WP multiplicities - A2BCD_mP40_7_14a_6a_7a_6a:F-Li-O-V, expected Li6V6(OF2)7 to be LiVOF2" +mp-759150,LiVOF2,-6.9187184735,-2.9662233569,0.0209256883,0.0209256883,GGA+U,C2/c,A2BCD_mC40_15_2f_f_f_2e:F-Li-O-V,20.0,"Invalid WP multiplicities - A2BCD_mC40_15_7f_f_f_3e:F-Li-O-V, expected Li2V3(OF7)2 to be LiVOF2" +mp-761125,Li2V(OF)2,-6.6033032454,-2.8007193652,0.0717306454,0.0717306454,GGA+U,P2,A2B2C2D_mP28_3_4e_ab3e_4e_cde:F-Li-O-V,28.0,A2B2C2D_mP28_3_4e_ab3e_4e_cde:F-Li-O-V +mp-1311685,Li2V(OF)2,-6.6086883064,-2.8061044263,0.0663455843,0.0663455843,GGA+U,C2,A2B2C2D_mC56_5_4c_ab3c_4c_2c:F-Li-O-V,28.0,A2B2C2D_mC28_15_f_ae_f_c:F-Li-O-V +mp-761268,Li2V(OF)2,-6.5710123993,-2.7684285192,0.1040214914,0.1040214914,GGA+U,Pc,A2B2C2D_mP28_7_4a_4a_4a_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - A2B2C2D_mP28_7_4a_5a_4a_2a:F-Li-O-V, expected Li5V2(OF)4 to be Li2V(OF)2" +mp-1302912,Li2V(OF)2,-6.6102569893,-2.8076731092,0.0647769014,0.0647769014,GGA+U,Cc,A2B2C2D_mC56_9_4a_4a_4a_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - A2B2C2D_mC56_9_4a_5a_6a_4a:F-Li-O-V, expected Li5V4(O3F2)2 to be Li2V(OF)2" +mp-752823,Li2V(OF)2,-6.5927773882,-2.7901935081,0.0822565025,0.0822565025,GGA+U,P2_1/m,A2B2C2D_mP14_11_2e_2e_2e_e:F-Li-O-V,28.0,A2B2C2D_mP14_11_2e_2e_2e_e:F-Li-O-V +mp-759885,Li2V(OF)2,-6.5870876182,-2.7845037381,0.0879462725,0.0879462725,GGA+U,P2/c,A2B2C2D_mP14_13_g_2e_g_f:F-Li-O-V,28.0,A2B2C2D_mP14_13_g_2e_g_f:F-Li-O-V +mp-1280578,Li2V(OF)2,-6.6169815239,-2.8143976438,0.0580523668,0.0580523668,GGA+U,C2/c,A2B2C2D_mC28_15_f_ce_f_a:F-Li-O-V,28.0,A2B2C2D_mC28_15_f_ae_f_c:F-Li-O-V +mp-1306444,Li2V(OF)2,-6.6162717871,-2.8136879070000003,0.0587621036,0.0587621036,GGA+U,C2/c,A2B2C2D_mC56_15_2f_cef_2f_ab:F-Li-O-V,28.0,"Invalid WP multiplicities - A2B2C2D_mC56_15_5f_aef_4f_cd:F-Li-O-V, expected Li2VO4F5 to be Li2V(OF)2" +mp-761260,Li2V(OF)2,-6.5773059471,-2.774722067,0.0977279436,0.0977279436,GGA+U,Imma,A2B2C2D_oI28_74_h_ce_i_a:F-Li-O-V,14.0,A2B2C2D_oI28_74_h_ce_i_a:F-Li-O-V +mp-753161,Li2V(OF)2,-6.6402699511000005,-2.8376860710000003,0.0347639396,0.0347639396,GGA+U,R3m,A2B2C2D_hR42_160_ab_ab_ab_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - A2B2C2D_hR42_160_ab_ab_ab_4a:F-Li-O-V, expected LiVOF to be Li2V(OF)2" +mp-765601,Li3V4O11F,-7.56017029,-2.3818835705,0.0729049116,0.0729049116,GGA+U,P1,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V,19.0,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V +mp-850196,Li3V4O11F,-7.5573016147,-2.3790148952,0.0757735868,0.0757735868,GGA+U,P1,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V,19.0,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V +mp-752758,Li3V4O11F,-7.5433715026,-2.3650847831,0.0897036989,0.0897036989,GGA+U,P1,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V,19.0,AB3C11D4_aP19_1_a_3a_11a_4a:F-Li-O-V +mp-861486,Li6V(OF)3,-5.7642335469,-2.6017761388,0.102793275,0.102793275,GGA+U,P1,A3B6C3D_aP26_1_6a_12a_6a_2a:F-Li-O-V,26.0,A3B6C3D_aP26_1_6a_12a_6a_2a:F-Li-O-V +mp-776415,LiV2OF5,-6.88150908,-3.0391959072,0.0698161975,0.0698161975,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-776420,LiV2OF5,-6.8803302004,-3.0380170275,0.0709950771,0.0709950771,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-849639,LiV2OF5,-6.8761805193,-3.0338673464,0.0751447582,0.0751447582,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-753681,LiV2OF5,-6.8933118785000005,-3.0509987057,0.058013399,0.058013399,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-765223,LiV2OF5,-6.8952542515,-3.0529410787,0.056071026,0.056071026,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-778861,LiV2OF5,-6.8812482861,-3.0389351133,0.0700769914,0.0700769914,GGA+U,P1,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V,36.0,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V +mp-778879,LiV2OF5,-6.8785122442,-3.0361990713,0.0728130333,0.0728130333,GGA+U,P1,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V,36.0,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V +mp-779058,LiV2OF5,-6.8774036903,-3.0350905175,0.0739215872,0.0739215872,GGA+U,P1,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V,36.0,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V +mp-767433,LiV2OF5,-6.8964457389,-3.0541325661,0.0548795386,0.0548795386,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-861457,LiV2OF5,-6.8791713508,-3.036858178,0.0721539267,0.0721539267,GGA+U,P1,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V,36.0,A5BCD2_aP36_1_20a_4a_4a_8a:F-Li-O-V +mp-761104,LiV2OF5,-6.8889788006,-3.0466656277,0.0623464769,0.0623464769,GGA+U,P1,A5BCD2_aP9_1_5a_a_a_2a:F-Li-O-V,18.0,"Invalid WP multiplicities - A5BCD2_aP9_1_5a_a_a_4a:F-Li-O-V, expected LiV4OF5 to be LiV2OF5" +mp-776824,LiV2OF5,-6.8793361714,-3.0370229986,0.0719891061,0.0719891061,GGA+U,P1,A5BCD2_aP72_1_40a_8a_8a_16a:F-Li-O-V,72.0,A5BCD2_aP72_1_40a_8a_8a_16a:F-Li-O-V +mp-783911,LiV2OF5,-6.8679962079,-3.025683035,0.0833290696,0.0833290696,GGA+U,P1,A5BCD2_aP108_1_60a_12a_12a_24a:F-Li-O-V,108.0,A5BCD2_aP108_1_60a_12a_12a_24a:F-Li-O-V +mp-775943,LiV2OF5,-6.8793792296,-3.0370660568,0.0719460479,0.0719460479,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V +mp-753339,LiV2OF5,-6.9062856528,-3.06397248,0.0450396247,0.0450396247,GGA+U,Pc,A5BCD2_mP18_7_5a_a_a_2a:F-Li-O-V,18.0,"Invalid WP multiplicities - A5BCD2_mP18_7_5a_a_a_4a:F-Li-O-V, expected LiV4OF5 to be LiV2OF5" +mp-1377576,LiV2OF5,-6.8514364693,-3.0091232964,0.0998888082,0.0998888082,GGA+U,P1,A5BCD2_aP27_1_15a_3a_3a_6a:F-Li-O-V,27.0,A5BCD2_mC54_5_b12c_a2c_a2c_5c:F-Li-O-V +mp-775937,LiV2OF5,-6.8559552422,-3.0136420694,0.0953700353,0.0953700353,GGA+U,C2,A5BCD2_mC54_5_b7c_ac_ac_3c:F-Li-O-V,27.0,A5BCD2_mC54_5_b12c_a2c_a2c_5c:F-Li-O-V +mp-849711,LiV2OF5,-6.88012635,-3.0378131772,0.0711989275,0.0711989275,GGA+U,C2,A5BCD2_mC72_5_10c_2c_abc_4c:F-Li-O-V,36.0,"Invalid WP multiplicities - A5BCD2_mC72_5_16c_3c_ab2c_7c:F-Li-O-V, expected Li3V7O3F16 to be LiV2OF5" +mp-776440,LiV2OF5,-6.8882240322,-3.0459108594,0.0631012453,0.0631012453,GGA+U,Pc,A5BCD2_mP18_7_5a_a_a_2a:F-Li-O-V,18.0,"Invalid WP multiplicities - A5BCD2_mP18_7_5a_a_a_4a:F-Li-O-V, expected LiV4OF5 to be LiV2OF5" +mp-863406,LiV2OF5,-6.8766346064,-3.0343214336,0.0746906711,0.0746906711,GGA+U,Pc,A5BCD2_mP36_7_10a_2a_2a_4a:F-Li-O-V,36.0,A5BCD2_mP36_7_20a_4a_4a_8a:F-Li-O-V +mp-860940,LiV2OF5,-6.9006288108,-3.058315638,0.0506964667,0.0506964667,GGA+U,Cc,A5BCD2_mC72_9_10a_2a_2a_4a:F-Li-O-V,36.0,"Invalid WP multiplicities - A5BCD2_mC72_9_15a_2a_2a_7a:F-Li-O-V, expected Li2V7O2F15 to be LiV2OF5" +mp-760019,LiV2OF5,-6.8931608552,-3.0508476824,0.0581644223,0.0581644223,GGA+U,P3,A5BCD2_hP27_143_5d_abc_d_2d:F-Li-O-V,27.0,"Invalid WP multiplicities - A5BCD2_hP27_143_12d_abc_d_5d:F-Li-O-V, expected LiV5OF12 to be LiV2OF5" +mp-765917,LiV2OF5,-6.8544994881,-3.0121863153,0.0968257894,0.0968257894,GGA+U,P3_1,A5BCD2_hP27_144_5a_a_a_2a:F-Li-O-V,27.0,"Invalid WP multiplicities - A5BCD2_hP27_144_15a_a_a_2a:F-Li-O-V, expected LiV2OF15 to be LiV2OF5" +mp-776389,LiV2OF5,-6.8868533193,-3.0445401464,0.0644719582,0.0644719582,GGA+U,P3_2,A5BCD2_hP27_145_5a_a_a_2a:F-Li-O-V,27.0,"Invalid WP multiplicities - A5BCD2_hP27_145_12a_a_a_3a:F-Li-O-V, expected LiV3OF12 to be LiV2OF5" +mp-776421,LiV2OF5,-6.8748216226,-3.0325084498,0.0765036549,0.0765036549,GGA+U,P3_121,A5BCD2_hP27_152_b2c_a_a_c:F-Li-O-V,27.0,"Invalid WP multiplicities - A5BCD2_hP27_152_2b6c_a_a_c:F-Li-O-V, expected LiV2OF14 to be LiV2OF5" +mp-752612,Li3V2OF7,-6.3285180865,-3.0807009924,0.0520105959,0.0520105959,GGA+U,Cm,A7B3CD2_mC26_8_3a2b_3a_a_b:F-Li-O-V,26.0,A7B3CD2_mC26_8_3a2b_3a_a_b:F-Li-O-V +mp-6153,Na3Li3V2F12,-5.7246627393,-3.1846675277,0.0,-0.01869717,GGA+U,Ia-3d,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-V,80.0,A12B3C3D2_cI160_230_h_d_c_a:F-Li-Na-V +mp-758729,LiV3O5F3,-7.614942519199999,-2.6458990579,0.086465881,0.086465881,GGA+U,Pm,A3BC5D3_mP24_6_2a4b_ab_6a4b_3a3b:F-Li-O-V,24.0,A3BC5D3_mP24_6_2a4b_ab_6a4b_3a3b:F-Li-O-V +mp-759556,LiV3O5F3,-7.6176896875,-2.6486462262,0.0837187127,0.0837187127,GGA+U,Pm,A3BC5D3_mP24_6_3a3b_ab_5a5b_3a3b:F-Li-O-V,24.0,A3BC5D3_mP24_6_3a3b_ab_5a5b_3a3b:F-Li-O-V +mp-764754,LiV3O5F3,-7.6531125658,-2.6840691045,0.0482958344,0.0482958344,GGA+U,Cc,A3BC5D3_mC48_9_3a_a_5a_3a:F-Li-O-V,24.0,A3BC5D3_mC48_9_3a_a_5a_3a:F-Li-O-V +mp-758438,LiV3O5F3,-7.6597619821,-2.6907185208,0.0416464181,0.0416464181,GGA+U,Cc,A3BC5D3_mC48_9_3a_a_5a_3a:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BC5D3_mC48_9_3a_a_7a_3a:F-Li-O-V, expected LiV3O7F3 to be LiV3O5F3" +mp-806032,Li3V3O3F5,-4.7171193679,-0.6188373835000001,2.2863112801,2.2863112801,GGA+U,P1,A5B3C3D3_aP14_1_5a_3a_3a_3a:F-Li-O-V,14.0,A5B3C3D3_aP14_1_5a_3a_3a_3a:F-Li-O-V +mp-759089,Li3V3O3F5,-6.9189115029,-2.8206295185,0.0845191451,0.0845191451,GGA+U,Cm,A5B3C3D3_mC28_8_a2b_3a_3a_ab:F-Li-O-V,28.0,"Invalid WP multiplicities - A5B3C3D3_mC28_8_a2b_3a_3a_2a2b:F-Li-O-V, expected Li3V6O3F5 to be Li3V3O3F5" +mp-1177749,Li2VOF3,-6.2485827973,-2.8796003092,0.1586331796,0.1586331796,GGA+U,P1,A3B2CD_aP56_1_24a_16a_8a_8a:F-Li-O-V,56.0,A3B2CD_aP56_1_24a_16a_8a_8a:F-Li-O-V +mp-1293011,Li2VOF3,-6.3331555179,-2.9641730297,0.0740604591,0.0740604591,GGA+U,P1,A3B2CD_aP28_1_12a_8a_4a_4a:F-Li-O-V,28.0,A3B2CD_aP28_1_12a_8a_4a_4a:F-Li-O-V +mp-757787,Li2VOF3,-6.3245762571,-2.955593769,0.0826397198,0.0826397198,GGA+U,C2,A3B2CD_mC28_5_3c_2c_c_ab:F-Li-O-V,14.0,"Invalid WP multiplicities - A3B2CD_mC28_5_5c_4c_c_ab:F-Li-O-V, expected Li4VOF5 to be Li2VOF3" +mp-850895,Li2VOF3,-6.3379652579,-2.9689827697,0.0692507191,0.0692507191,GGA+U,Pc,A3B2CD_mP14_7_3a_2a_a_a:F-Li-O-V,14.0,"Invalid WP multiplicities - A3B2CD_mP14_7_5a_4a_a_a:F-Li-O-V, expected Li4VOF5 to be Li2VOF3" +mp-753093,Li2VOF3,-6.3428294093,-2.9738469211,0.0643865677,0.0643865677,GGA+U,C2/m,A3B2CD_mC28_12_ij_aci_i_e:F-Li-O-V,28.0,A3B2CD_mC28_12_ij_adi_i_e:F-Li-O-V +mp-767622,Li2VOF3,-6.3131991925,-2.9442167043,0.0940167845,0.0940167845,GGA+U,Pnc2,A3B2CD_oP28_30_3c_2a2b_c_ab:F-Li-O-V,28.0,"Invalid WP multiplicities - A3B2CD_oP28_30_9c_3a4b_c_2a2b:F-Li-O-V, expected Li7V4(OF9)2 to be Li2VOF3" +mp-765507,Li2VOF3,-6.3580954707,-2.9891129826,0.0491205063,0.0491205063,GGA+U,P4_1,A3B2CD_tP28_76_3a_2a_a_a:F-Li-O-V,28.0,"Invalid WP multiplicities - A3B2CD_tP28_76_8a_3a_a_a:F-Li-O-V, expected Li3VOF8 to be Li2VOF3" +mp-780660,Li3VOF4,-6.0115056968,-2.9666968911,0.0999168442,0.0999168442,GGA+U,P1,A4B3CD_aP72_1_32a_24a_8a_8a:F-Li-O-V,72.0,A4B3CD_aP72_1_32a_24a_8a_8a:F-Li-O-V +mp-752985,LiV3O5F,-8.161067754,-2.580511394,0.071190253,0.071190253,GGA+U,P1,ABC5D3_aP10_1_a_a_5a_3a:F-Li-O-V,10.0,ABC5D3_aP10_1_a_a_5a_3a:F-Li-O-V +mp-1291989,LiV3O5F,-8.1531044725,-2.5725481125,0.0791535345,0.0791535345,GGA+U,P1,ABC5D3_aP20_1_2a_2a_10a_6a:F-Li-O-V,20.0,ABC5D3_aP20_1_2a_2a_10a_6a:F-Li-O-V +mp-1442958,LiV3O5F,-2.932010328,2.648546032,5.300247679,5.300247679,GGA+U,P1,ABC5D3_aP10_1_a_a_5a_3a:F-Li-O-V,10.0,ABC5D3_aP10_1_a_a_5a_3a:F-Li-O-V +mp-801385,Li3VO3F,-6.0587222013,-2.1134447298,0.5533364134000001,0.5533364134000001,GGA+U,P1,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V,32.0,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V +mp-764917,Li3VO3F,-6.5255815388,-2.5803040673,0.0864770759,0.0864770759,GGA+U,P1,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V,32.0,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V +mp-1367903,Li3VO3F,-3.6542416831,0.2910357883,2.9578169316,2.9578169316,GGA+U,P1,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V,32.0,AB3C3D_aP32_1_4a_12a_12a_4a:F-Li-O-V +mp-764860,Li3VO3F,-6.5454842934,-2.600206822,0.0665743213,0.0665743213,GGA+U,P-1,AB3C3D_aP32_2_2i_bcdh4i_6i_2i:F-Li-O-V,32.0,"Invalid WP multiplicities - AB3C3D_aP32_2_3i_bcdh6i_11i_3i:F-Li-O-V, expected Li8V3O11F3 to be Li3VO3F" +mp-764730,Li3VO3F,-6.5600462859,-2.6147688145,0.0520123288,0.0520123288,GGA+U,C2/c,AB3C3D_mC64_15_f_3f_3f_f:F-Li-O-V,32.0,"Invalid WP multiplicities - AB3C3D_mC64_15_f_7f_9f_f:F-Li-O-V, expected Li7VO9F to be Li3VO3F" +mp-1176719,LiV3O3F7,-6.9920737171,-2.8934265755,0.0234661944,0.0234661944,GGA+U,P1,A7BC3D3_aP28_1_14a_2a_6a_6a:F-Li-O-V,28.0,A7BC3D3_aP28_1_14a_2a_6a_6a:F-Li-O-V +mp-1221217,Na3LiV4O12,-7.458865173,-2.3802457949,0.0120085555,0.0120085555,GGA+U,C2,AB3C12D4_mC40_5_a_a2b_6c_2c:Li-Na-O-V,20.0,AB3C12D4_mC40_5_a_a2b_6c_2c:Li-Na-O-V +mp-759102,Li3V2(O2F)2,-6.9806534195,-2.6620812814,0.0918602017,0.0918602017,GGA+U,P1,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V,44.0,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V +mp-761181,Li3V2(O2F)2,-6.986618458,-2.6680463198,0.0858951633,0.0858951633,GGA+U,P1,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V,44.0,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V +mp-760221,Li3V2(O2F)2,-6.9800100564,-2.6614379182,0.0925035649,0.0925035649,GGA+U,P1,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V,44.0,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V +mp-764424,Li3V2(O2F)2,-7.0055158882,-2.68694375,0.0669977331,0.0669977331,GGA+U,P1,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V,33.0,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V +mp-761182,Li3V2(O2F)2,-7.0045510776,-2.6859789394,0.0679625437,0.0679625437,GGA+U,P1,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V,33.0,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V +mp-761180,Li3V2(O2F)2,-7.0045555564,-2.6859834182,0.0679580649,0.0679580649,GGA+U,P1,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V,33.0,A2B3C4D2_aP33_1_6a_9a_12a_6a:F-Li-O-V +mp-760064,Li3V2(O2F)2,-6.9837717325,-2.6651995943,0.0887418887,0.0887418887,GGA+U,P1,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V,44.0,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V +mp-759955,Li3V2(O2F)2,-6.9790254052,-2.6604532670000003,0.093488216,0.093488216,GGA+U,P1,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V,44.0,A2B3C4D2_aP44_1_8a_12a_16a_8a:F-Li-O-V +mp-765943,Li3V2(O2F)2,-7.0129021305,-2.6943299923,0.0596114908,0.0596114908,GGA+U,P-1,A2B3C4D2_aP22_2_2i_3i_4i_aci:F-Li-O-V,44.0,A2B3C4D2_aP22_2_2i_3i_4i_aci:F-Li-O-V +mp-759574,Li3V2(O2F)2,-7.0139910973,-2.6954189591,0.058522524,0.058522524,GGA+U,P-1,A2B3C4D2_aP22_2_2i_3i_4i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A2B3C4D2_aP22_2_3i_6i_8i_2i:F-Li-O-V, expected Li6V2O8F3 to be Li3V2(O2F)2" +mp-764429,Li3V2(O2F)2,-6.9930179142,-2.6744457761,0.079495707,0.079495707,GGA+U,P-1,A2B3C4D2_aP33_2_3i_a4i_6i_3i:F-Li-O-V,33.0,"Invalid WP multiplicities - A2B3C4D2_aP33_2_5i_a8i_11i_6i:F-Li-O-V, expected Li17V12(O11F5)2 to be Li3V2(O2F)2" +mp-759979,Li3V2(O2F)2,-6.978489402,-2.6599172639,0.0940242192,0.0940242192,GGA+U,P2,A2B3C4D2_mP44_3_4e_2abc2d3e_8e_4e:F-Li-O-V,44.0,A2B3C4D2_mP44_3_4e_2ab2cd3e_8e_4e:F-Li-O-V +mp-760013,Li3V2(O2F)2,-6.9769873394,-2.6584152012,0.0955262819,0.0955262819,GGA+U,C2,A2B3C4D2_mC66_5_3c_2a3b2c_6c_3c:F-Li-O-V,33.0,"Invalid WP multiplicities - A2B3C4D2_mC66_5_5c_2a3b4c_9c_5c:F-Li-O-V, expected Li13V10(O9F5)2 to be Li3V2(O2F)2" +mp-759833,Li3V2(O2F)2,-7.0053311773,-2.6867590391,0.067182444,0.067182444,GGA+U,Pm,A2B3C4D2_mP33_6_ab2c_2ab3c_2a2b4c_ab2c:F-Li-O-V,33.0,A2B3C4D2_mP33_6_ab4c_2ab6c_2a2b8c_ab4c:F-Li-O-V +mp-758185,Li3V2(O2F)2,-6.9733737557,-2.6548016175,0.0991398656,0.0991398656,GGA+U,Cm,A2B3C4D2_mC88_8_4a2b_4a4b_8a4b_4a2b:F-Li-O-V,44.0,"Invalid WP multiplicities - A2B3C4D2_mC88_8_4a3b_4a6b_8a7b_4a3b:F-Li-O-V, expected Li8V5O11F5 to be Li3V2(O2F)2" +mp-759687,Li3V2(O2F)2,-6.975285485,-2.6567133468,0.0972281362,0.0972281362,GGA+U,Cm,A2B3C4D2_mC88_8_4a2b_4a4b_8a4b_4a2b:F-Li-O-V,44.0,"Invalid WP multiplicities - A2B3C4D2_mC88_8_4a3b_4a7b_8a7b_4a3b:F-Li-O-V, expected Li9V5O11F5 to be Li3V2(O2F)2" +mp-759947,Li3V2(O2F)2,-6.9698478155,-2.6512756773,0.1026658058,0.1026658058,GGA+U,P2/m,A2B3C4D2_mP44_10_mno_bcjlmo_2m2n2o_mno:F-Li-O-V,44.0,"Invalid WP multiplicities - A2B3C4D2_mP44_10_mn2o_ce2i2lm2o_2m2n4o_mn2o:F-Li-O-V, expected Li5V3(O2F)3 to be Li3V2(O2F)2" +mp-764397,Li3V2(O2F)2,-7.0068087218,-2.6882365836,0.0657048994,0.0657048994,GGA+U,P2_1/m,A2B3C4D2_mP22_11_ae_ef_2ef_ce:F-Li-O-V,22.0,A2B3C4D2_aP22_2_aci_3i_4i_bgi:F-Li-O-V +mp-1567479,Li3V2(O2F)2,-7.0190010914,-2.7004289532,0.0535125299,0.0535125299,GGA+U,P2_1/m,A2B3C4D2_mP22_11_ae_ef_2ef_ce:F-Li-O-V,22.0,A2B3C4D2_mP22_11_ae_ef_2ef_de:F-Li-O-V +mp-1572353,Li3V2(O2F)2,-7.0197150418,-2.7011429036,0.0527985794,0.0527985794,GGA+U,P2_1/m,A2B3C4D2_mP22_11_ae_ef_2ef_de:F-Li-O-V,22.0,A2B3C4D2_mP22_11_ae_ef_2ef_be:F-Li-O-V +mp-1567267,Li3V2(O2F)2,-7.01141564,-2.6928435018,0.0610979812,0.0610979812,GGA+U,P2_1/m,A2B3C4D2_mP22_11_ae_ef_2ef_ce:F-Li-O-V,22.0,A2B3C4D2_mP22_11_2a2e_2e2f_4e2f_2d2e:F-Li-O-V +mp-760200,Li3V2(O2F)2,-6.9931009673,-2.6745288291,0.079412654,0.079412654,GGA+U,C2/m,A2B3C4D2_mC66_12_ij_aghj_2i2j_ij:F-Li-O-V,33.0,"Invalid WP multiplicities - A2B3C4D2_mC66_12_ij_a2g2h2j_3i4j_ij:F-Li-O-V, expected Li17V6(O11F3)2 to be Li3V2(O2F)2" +mp-759243,Li3V2(O2F)2,-6.9997914486,-2.6812193105,0.0727221726,0.0727221726,GGA+U,C2/m,A2B3C4D2_mC44_12_abe_ij_2ij_hi:F-Li-O-V,22.0,"Invalid WP multiplicities - A2B3C4D2_mC44_12_ab2f_i2j_4i3j_2h2i:F-Li-O-V, expected Li5V4O10F3 to be Li3V2(O2F)2" +mp-18953,NaV(OF)2,-6.7217743917,-2.7013132715,0.0,-0.055104375,GGA+U,P2_1,A2BC2D_mP12_4_2a_a_2a_a:F-Na-O-V,12.0,A2BC2D_mP12_4_2a_a_2a_a:F-Na-O-V +mp-765189,Li3V3O5F3,-7.2466440039,-2.7147606276,0.0838675768,0.0838675768,GGA+U,P1,A3B3C5D3_aP14_1_3a_3a_5a_3a:F-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C5D3_aP14_1_3a_3a_5a_4a:F-Li-O-V, expected Li3V4O5F3 to be Li3V3O5F3" +mp-801976,Li3V3O5F3,-5.3554430336,-0.8235596572,1.9750685471,1.9750685471,GGA+U,P1,A3B3C5D3_aP14_1_3a_3a_5a_3a:F-Li-O-V,14.0,A3B3C5D3_aP14_1_3a_3a_5a_3a:F-Li-O-V +mp-1396042,Li3V3O5F3,-4.6315765821,-0.0996932058,2.6989349986,2.6989349986,GGA+U,P1,A3B3C5D3_aP14_1_3a_3a_5a_3a:F-Li-O-V,14.0,A3B3C5D3_aP14_1_3a_3a_5a_3a:F-Li-O-V +mp-759132,Li3V3O5F3,-7.2555006486,-2.7236172722000003,0.0750109321,0.0750109321,GGA+U,Cm,A3B3C5D3_mC28_8_ab_3a_3ab_ab:F-Li-O-V,28.0,A3B3C5D3_mC28_8_ab_3a_3ab_ab:F-Li-O-V +mp-759965,Li3VOF6,-5.7395889964,-2.9008401613,0.0797218388,0.0797218388,GGA+U,P2_12_12_1,A6B3CD_oP44_19_6a_3a_a_a:F-Li-O-V,44.0,"Invalid WP multiplicities - A6B3CD_oP44_19_21a_9a_a_a:F-Li-O-V, expected Li9VOF21 to be Li3VOF6" +mp-867535,Li4V7O9F7,-7.5193253585,-2.7369703537000003,0.0960754081,0.0960754081,GGA+U,Cm,A7B4C9D7_mC54_8_a3b_4a_7ab_3a2b:F-Li-O-V,27.0,"Invalid WP multiplicities - A7B4C9D7_mC54_8_a5b_4a_7ab_3a4b:F-Li-O-V, expected Li4V11O9F11 to be Li4V7O9F7" +mp-774815,Na9Li7V16O48,-7.48929935,-2.3886900629,0.0124924366,0.0124924366,GGA+U,C2,A7B9C48D16_mC160_5_a3c_a2b3c_24c_8c:Li-Na-O-V,80.0,"Invalid WP multiplicities - A7B9C48D16_mC160_5_a6c_a2b6c_45c_14c:Li-Na-O-V, expected Na15Li13V28O90 to be Na9Li7V16O48" +mp-801838,Li4V4(OF3)3,-4.9543902275,-1.1536555981,1.8532935633,1.8532935633,GGA+U,P1,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V,20.0,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V +mp-765901,Li4V4(OF3)3,-6.712163772,-2.9114291426000003,0.0955200188,0.0955200188,GGA+U,P1,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V,20.0,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V +mp-1367753,Li4V4(OF3)3,-5.94216217,-2.1414275406,0.8655216208000001,0.8655216208000001,GGA+U,P1,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V,20.0,A9B4C3D4_aP20_1_9a_4a_3a_4a:F-Li-O-V +mp-764224,Li2V2O5F2,-7.1386704018,-2.5439377323,0.0645434114,0.0645434114,GGA+U,P-1,A2B2C5D2_aP22_2_2i_2i_5i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A2B2C5D2_aP22_2_3i_3i_9i_3i:F-Li-O-V, expected LiVO3F to be Li2V2O5F2" +mp-757124,Li2V2O5F2,-7.1384476814,-2.5437150119,0.0647661318,0.0647661318,GGA+U,Cc,A2B2C5D2_mC44_9_2a_2a_5a_2a:F-Li-O-V,22.0,A2B2C5D2_mC44_9_4a_4a_10a_4a:F-Li-O-V +mp-801731,Li4V5O9F,-6.2409100247,-1.004757436,1.5711083961,1.5711083961,GGA+U,P1,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V,19.0,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V +mp-758679,Li4V5O9F,-7.7462706837,-2.510118095,0.0657477372,0.0657477372,GGA+U,P1,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V,19.0,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V +mp-1329061,Li4V5O9F,-5.6157442132,-0.3795916245,2.1962742077,2.1962742077,GGA+U,P1,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V,19.0,AB4C9D5_aP19_1_a_4a_9a_5a:F-Li-O-V +mp-765807,Li4V5O9F,-7.7495545089,-2.5134019202,0.0624639119,0.0624639119,GGA+U,Cm,AB4C9D5_mC38_8_a_4a_9a_5a:F-Li-O-V,19.0,AB4C9D5_mC38_8_a_4a_9a_5a:F-Li-O-V +mp-765511,Li6VO5F,-6.0626719012,-2.4332591478,0.0702028812,0.0702028812,GGA+U,P1,AB6C5D_aP26_1_2a_12a_10a_2a:F-Li-O-V,26.0,AB6C5D_aP26_1_2a_12a_10a_2a:F-Li-O-V +mp-777289,LiV2(OF)3,-7.2439476007,-2.7271433737,0.0889685801,0.0889685801,GGA+U,P1,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V,27.0,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V +mp-779054,LiV2(OF)3,-7.2478282044,-2.7310239775,0.0850879764,0.0850879764,GGA+U,P1,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V,27.0,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V +mp-779071,LiV2(OF)3,-7.24463064,-2.727826413,0.0882855408,0.0882855408,GGA+U,P1,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V,27.0,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V +mp-778253,LiV2(OF)3,-7.2383732867,-2.7215690597,0.0945428942,0.0945428942,GGA+U,P1,A3BC3D2_aP72_1_24a_8a_24a_16a:F-Li-O-V,72.0,A3BC3D2_aP72_1_24a_8a_24a_16a:F-Li-O-V +mp-782821,LiV2(OF)3,-7.2388416815,-2.7220374545,0.0940744994,0.0940744994,GGA+U,P1,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V,27.0,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V +mp-776867,LiV2(OF)3,-7.2458865711,-2.7290823441,0.0870296097,0.0870296097,GGA+U,P1,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V,27.0,A3BC3D2_aP27_1_9a_3a_9a_6a:F-Li-O-V +mp-765509,LiV(OF)2,-6.7617505104,-2.6435564614,0.0749750346,0.0676081135,GGA+U,P2,A2BC2D_mP24_3_4e_2e_4e_abe:F-Li-O-V,24.0,A2BC2D_mP24_3_4e_2e_4e_abe:F-Li-O-V +mp-757948,LiV(OF)2,-6.7514905625,-2.6332965135,0.0852349825,0.0778680614,GGA+U,P2_1,A2BC2D_mP12_4_2a_a_2a_a:F-Li-O-V,12.0,"Invalid WP multiplicities - A2BC2D_mP12_4_3a_a_3a_a:F-Li-O-V, expected LiV(OF)3 to be LiV(OF)2" +mp-772395,LiV(OF)2,-6.8328120267,-2.7146179776,0.0039135183,-0.0034534028,GGA+U,P2_1,A2BC2D_mP12_4_2a_a_2a_a:F-Li-O-V,12.0,"Invalid WP multiplicities - A2BC2D_mP12_11_3e_e_3e_e:F-Li-O-V, expected LiV(OF)3 to be LiV(OF)2" +mp-1539853,LiV(OF)2,-6.836725545,-2.718531496,0.0,-0.0073669211,GGA+U,P2_1/m,A2BC2D_mP12_11_2e_e_2e_e:F-Li-O-V,12.0,"Invalid WP multiplicities - A2BC2D_mP12_11_3e_e_3e_e:F-Li-O-V, expected LiV(OF)3 to be LiV(OF)2" +mp-760272,LiV(OF)2,-6.8057011333,-2.6875070843,0.0310244117,0.0236574905,GGA+U,P2/c,A2BC2D_mP12_13_g_e_g_f:F-Li-O-V,12.0,A2BC2D_mP12_13_g_e_g_f:F-Li-O-V +mp-752639,LiV(OF)2,-6.7343454567,-2.6161514076,0.1023800883,0.0950131672,GGA+U,P2_1/c,A2BC2D_mP24_14_2e_e_2e_e:F-Li-O-V,24.0,"Invalid WP multiplicities - A2BC2D_mP24_14_3e_e_7e_e:F-Li-O-V, expected LiVO7F3 to be LiV(OF)2" +mp-765626,LiV(OF)2,-6.8321446346,-2.7139505856,0.0045809104,-0.0027860107,GGA+U,P2_1/c,A2BC2D_mP24_14_2e_e_2e_e:F-Li-O-V,24.0,"Invalid WP multiplicities - A2BC2D_mP24_14_7e_e_3e_e:F-Li-O-V, expected LiVO3F7 to be LiV(OF)2" +mp-753430,LiV(OF)2,-6.7591907617,-2.6409967126,0.0775347833,0.0701678622,GGA+U,Pca2_1,A2BC2D_oP24_29_2a_a_2a_a:F-Li-O-V,24.0,"Invalid WP multiplicities - A2BC2D_oP24_29_5a_a_5a_a:F-Li-O-V, expected LiV(OF)5 to be LiV(OF)2" +mp-756551,LiV(OF)2,-6.769641685,-2.651447636,0.06708386,0.0597169389,GGA+U,Pca2_1,A2BC2D_oP24_29_2a_a_2a_a:F-Li-O-V,24.0,"Invalid WP multiplicities - A2BC2D_oP24_29_7a_a_5a_a:F-Li-O-V, expected LiVO5F7 to be LiV(OF)2" +mp-761283,Li5V5O9F,-7.535763286,-2.4659721834,0.05743195,0.05743195,GGA+U,P1,AB5C9D5_aP20_1_a_5a_9a_5a:F-Li-O-V,20.0,AB5C9D5_aP20_1_a_5a_9a_5a:F-Li-O-V +mp-1301584,LiV5O7F,-8.49687164,-2.5063892712,0.0586477531,0.0586477531,GGA+U,P1,ABC7D5_aP28_1_2a_2a_14a_10a:F-Li-O-V,28.0,ABC7D5_aP28_1_2a_2a_14a_10a:F-Li-O-V +mp-1290531,LiV5O7F,-8.496739135,-2.5062567662,0.0587802581,0.0587802581,GGA+U,Cm,ABC7D5_mC28_8_a_a_3a2b_3ab:F-Li-O-V,28.0,"Invalid WP multiplicities - ABC7D5_mC28_8_a_a_3a3b_4ab:F-Li-O-V, expected LiV6O9F to be LiV5O7F" +mp-1290641,LiV5O7F,-8.4961296693,-2.5056473005,0.0593897238,0.0593897238,GGA+U,Cm,ABC7D5_mC56_8_2a_2a_6a4b_6a2b:F-Li-O-V,28.0,"Invalid WP multiplicities - ABC7D5_mC56_8_2a_2a_6a8b_6a4b:F-Li-O-V, expected LiV7O11F to be LiV5O7F" +mp-753402,LiV5O7F,-8.5013304179,-2.5108480491,0.0541889752,0.0541889752,GGA+U,R3m,ABC7D5_hR42_160_a_a_a2b_2ab:F-Li-O-V,14.0,ABC7D5_hR42_160_a_a_a2b_2ab:F-Li-O-V +mp-752560,NaLiV(OF)2,-6.4480251546,-2.7292123564,0.0782573561,0.0782573561,GGA+U,P2_1/m,A2BCD2E_mP14_11_2e_e_e_2e_e:F-Li-Na-O-V,28.0,A2BCD2E_mP14_11_2e_e_e_2e_e:F-Li-Na-O-V +mp-1220916,NaV2O4F,-7.6736834075,-2.5251120018,0.0703593075,0.0703593075,GGA+U,Pmn2_1,ABC4D2_oP16_31_a_a_4a_2a:F-Na-O-V,16.0,ABC4D2_oP16_31_a_a_4a_2a:F-Na-O-V +mp-806962,Li3V4O7F5,-4.3939953284,0.1452998661,2.9318527766,2.9318527766,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-775924,Li3V4O7F5,-7.2359441816,-2.696648987,0.0899039234,0.0899039234,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-765375,Li3V4O7F5,-7.2362913879,-2.6969961934,0.0895567171,0.0895567171,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-801464,Li3V4O7F5,-4.2918812274,0.2474139672,3.0339668776,3.0339668776,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-1337136,Li3V4O7F5,-6.0540383095,-1.5147431149,1.2718097955,1.2718097955,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-1372295,Li3V4O7F5,-5.9343016279,-1.3950064334,1.3915464771,1.3915464771,GGA+U,P1,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V,19.0,A5B3C7D4_aP19_1_5a_3a_7a_4a:F-Li-O-V +mp-753637,Li2V2OF6,-6.5618643809,-3.0708443455,0.0549807218,0.0549807218,GGA+U,P1,A6B2CD2_aP22_1_12a_4a_2a_4a:F-Li-O-V,22.0,A6B2CD2_aP22_1_12a_4a_2a_4a:F-Li-O-V +mp-759649,Li2V2OF6,-6.5575354882,-3.0665154528,0.0593096145,0.0593096145,GGA+U,P-1,A6B2CD2_aP22_2_6i_2i_i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A6B2CD2_aP22_2_11i_3i_i_3i:F-Li-O-V, expected Li3V3OF11 to be Li2V2OF6" +mp-801339,Li2V2OF6,-4.0649965209,-0.5739764855,2.5518485818,2.5518485818,GGA+U,P-1,A6B2CD2_aP22_2_6i_2i_i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A6B2CD2_aP22_2_11i_3i_i_3i:F-Li-O-V, expected Li3V3OF11 to be Li2V2OF6" +mp-753071,Li2V2OF6,-6.5220933227,-3.0310732873,0.09475178,0.09475178,GGA+U,P-1,A6B2CD2_aP22_2_6i_2i_i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A6B2CD2_aP22_2_6i_2i_i_4i:F-Li-O-V, expected Li2V4OF6 to be Li2V2OF6" +mp-1369300,Li2V2OF6,-3.0489258559,0.4420941795,3.5679192468,3.5679192468,GGA+U,P-1,A6B2CD2_aP22_2_6i_2i_i_2i:F-Li-O-V,22.0,"Invalid WP multiplicities - A6B2CD2_aP22_2_11i_3i_i_3i:F-Li-O-V, expected Li3V3OF11 to be Li2V2OF6" +mp-752626,LiVO2F,-7.265104392,-2.7055673267,0.049484849,0.049484849,GGA+U,Pnma,ABC2D_oP20_62_c_c_2c_c:F-Li-O-V,20.0,"Invalid WP multiplicities - ABC2D_oP20_62_c_c_5c_c:F-Li-O-V, expected LiVO5F to be LiVO2F" +mp-775904,LiV4O5F7,-7.2658788912,-2.7742116279,0.0657807521,0.0657807521,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-776429,LiV4O5F7,-7.2819561871,-2.7902889238,0.0497034563,0.0497034563,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-776430,LiV4O5F7,-7.2479771841,-2.7563099209,0.0836824592,0.0836824592,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-755130,LiV4O5F7,-7.2909583871,-2.7992911238,0.0407012563,0.0407012563,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-777291,LiV4O5F7,-7.2833013924,-2.7916341291,0.048358251,0.048358251,GGA+U,P1,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V,34.0,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V +mp-779059,LiV4O5F7,-7.2904121782,-2.798744915,0.0412474651,0.0412474651,GGA+U,P1,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V,34.0,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V +mp-779340,LiV4O5F7,-7.2764044462,-2.7847371829,0.0552551971,0.0552551971,GGA+U,P1,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V,34.0,A7BC5D4_aP34_1_14a_2a_10a_8a:F-Li-O-V +mp-755196,LiV4O5F7,-7.2687828635,-2.7771156003,0.0628767798,0.0628767798,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-754849,LiV4O5F7,-7.2957412135,-2.8040739503000003,0.0359184298,0.0359184298,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-807948,LiV4O5F7,-3.2862254665,1.2054417968,4.0454341768,4.0454341768,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-776433,LiV4O5F7,-7.2892172076,-2.7975499444,0.0424424357,0.0424424357,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-1443123,LiV4O5F7,-5.7385188606,-1.2468515973,1.5931407827,1.5931407827,GGA+U,P1,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V,17.0,A7BC5D4_aP17_1_7a_a_5a_4a:F-Li-O-V +mp-753023,LiV3(O2F)2,-7.946832613,-2.6697972273,0.09143283,0.09143283,GGA+U,P1,A2BC4D3_aP10_1_2a_a_4a_3a:F-Li-O-V,10.0,A2BC4D3_aP10_1_2a_a_4a_3a:F-Li-O-V +mp-1402872,LiV3(O2F)2,-4.572971528,0.7040638577,3.465293915,3.465293915,GGA+U,P1,A2BC4D3_aP10_1_2a_a_4a_3a:F-Li-O-V,10.0,A2BC4D3_aP10_1_2a_a_4a_3a:F-Li-O-V +mp-759980,LiV3(O2F)2,-7.9689319115,-2.6918965258,0.0693335315,0.0693335315,GGA+U,Pnma,A2BC4D3_oP40_62_d_c_2cd_cd:F-Li-O-V,40.0,"Invalid WP multiplicities - A2BC4D3_oP40_62_d_c_5c4d_3c2d:F-Li-O-V, expected LiV7O13F2 to be LiV3(O2F)2" +mp-777267,Li4V3OF11,-6.2971934421,-3.09401623,0.0697621528,0.0697621528,GGA+U,P1,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V,38.0,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V +mp-765238,Li4V3OF11,-6.3300357374,-3.1268585252,0.0369198575,0.0369198575,GGA+U,P1,A11B4CD3_aP19_1_11a_4a_a_3a:F-Li-O-V,19.0,A11B4CD3_aP19_1_11a_4a_a_3a:F-Li-O-V +mp-765544,Li4V3OF11,-6.3205341763,-3.1173569642,0.0464214186,0.0464214186,GGA+U,P1,A11B4CD3_aP19_1_11a_4a_a_3a:F-Li-O-V,19.0,A11B4CD3_aP19_1_11a_4a_a_3a:F-Li-O-V +mp-1177195,Li4V3OF11,-6.2882485887,-3.0850713766,0.0787070062,0.0787070062,GGA+U,P1,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V,38.0,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V +mp-778466,Li4V3OF11,-6.3027126684,-3.0995354563,0.0642429264,0.0642429264,GGA+U,P1,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V,38.0,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V +mp-1177290,Li4V3OF11,-6.2937117529,-3.0905345408,0.073243842,0.073243842,GGA+U,P1,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V,38.0,A11B4CD3_aP38_1_22a_8a_2a_6a:F-Li-O-V +mp-780283,Li4V3OF11,-6.3181793934,-3.1150021813,0.0487762014,0.0487762014,GGA+U,P-1,A11B4CD3_aP38_2_11i_4i_i_ae2i:F-Li-O-V,38.0,"Invalid WP multiplicities - A11B4CD3_aP38_2_20i_8i_i_ae3i:F-Li-O-V, expected Li8V4OF20 to be Li4V3OF11" +mp-756022,LiV6O7F5,-8.0022031721,-2.7076465877,0.1026698085,0.1026698085,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-776355,LiV6O7F5,-8.0045249263,-2.709968342,0.1003480542,0.1003480542,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-776385,LiV6O7F5,-8.0042660011,-2.7097094167,0.1006069795,0.1006069795,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-776403,LiV6O7F5,-8.0130147858,-2.7184582014,0.0918581948,0.0918581948,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-776417,LiV6O7F5,-8.0104842226,-2.7159276383,0.0943887579,0.0943887579,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-755088,LiV6O7F5,-8.0144314932,-2.7198749088,0.0904414874,0.0904414874,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-754452,LiV6O7F5,-8.0083119574,-2.713755373,0.0965610232,0.0965610232,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-753549,LiV6O7F5,-8.0479527058,-2.7533961214,0.0569202748,0.0569202748,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-777054,LiV6O7F5,-8.0099960247,-2.7154394404,0.0948769558,0.0948769558,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-777798,LiV6O7F5,-8.0112613389,-2.7167047546000003,0.0936116416,0.0936116416,GGA+U,P1,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V,19.0,A5BC7D6_aP19_1_5a_a_7a_6a:F-Li-O-V +mp-778623,LiV6O7F5,-8.0155328763,-2.720976292,0.0893401042,0.0893401042,GGA+U,P2,A5BC7D6_mP38_3_ac4e_e_ac6e_abcd4e:F-Li-O-V,38.0,"Invalid WP multiplicities - A5BC7D6_mP38_3_ad8e_e_ad10e_abcd7e:F-Li-O-V, expected LiV9O11F9 to be LiV6O7F5" +mp-778176,LiV6O7F5,-8.0168321895,-2.7222756051,0.0880407911,0.0880407911,GGA+U,Pc,A5BC7D6_mP38_7_5a_a_7a_6a:F-Li-O-V,38.0,"Invalid WP multiplicities - A5BC7D6_mP38_7_9a_a_13a_12a:F-Li-O-V, expected LiV12O13F9 to be LiV6O7F5" +mp-1101663,NaLi15V16O48,-7.5632524761,-2.4040034317,0.0209794422,0.0209794422,GGA+U,C2,A15BC48D16_mC160_5_a2b6c_a_24c_8c:Li-Na-O-V,80.0,"Invalid WP multiplicities - A15BC48D16_mC160_5_a2b12c_a_47c_14c:Li-Na-O-V, expected NaLi27V28O94 to be NaLi15V16O48" +mp-775902,LiV3OF11,-6.4133890125,-2.9675391106,0.0426349725,0.0426349725,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-863350,LiV3OF11,-5.9088209219,-2.46297102,0.5472030632,0.5472030632,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V +mp-850394,LiV3OF11,-6.4130663994,-2.9672164975,0.0429575857,0.0429575857,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V +mp-752815,LiV3OF11,-6.3991492531,-2.9532993512,0.0568747319,0.0568747319,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V,16.0,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V +mp-775901,LiV3OF11,-6.4179123975,-2.9720624956,0.0381115875,0.0381115875,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-777339,LiV3OF11,-6.4022488181,-2.9563989162,0.0537751669,0.0537751669,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-777575,LiV3OF11,-6.3992149816,-2.9533650797,0.0568090035,0.0568090035,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-1176554,LiV3OF11,-6.4038581734,-2.9580082715,0.0521658116,0.0521658116,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-1176563,LiV3OF11,-6.3893331294,-2.9434832275,0.0666908557,0.0666908557,GGA+U,P1,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V,32.0,A11BCD3_aP32_1_22a_2a_2a_6a:F-Li-O-V +mp-1307265,LiV3OF11,-6.4232059569,-2.977356055,0.0328180282,0.0328180282,GGA+U,P1,A11BCD3_aP16_1_11a_a_a_3a:F-Li-O-V,32.0,"Invalid WP multiplicities - A11BCD3_aP16_1_11a_a_a_6a:F-Li-O-V, expected LiV6OF11 to be LiV3OF11" +mp-1176567,LiV3OF11,-6.3988353728,-2.9529854709,0.0571886122,0.0571886122,GGA+U,P-1,A11BCD3_aP32_2_11i_i_i_ae2i:F-Li-O-V,32.0,"Invalid WP multiplicities - A11BCD3_aP32_2_21i_i_i_ae4i:F-Li-O-V, expected LiV5OF21 to be LiV3OF11" +mp-1176596,LiV3OF11,-6.4024959056,-2.9566460037,0.0535280794,0.0535280794,GGA+U,P-1,A11BCD3_aP32_2_11i_i_i_ae2i:F-Li-O-V,32.0,"Invalid WP multiplicities - A11BCD3_aP32_2_21i_i_i_ae4i:F-Li-O-V, expected LiV5OF21 to be LiV3OF11" +mp-777269,LiV3OF11,-6.4274633634,-2.9816134615000003,0.0285606216,0.0285606216,GGA+U,P2_1,A11BCD3_mP32_4_11a_a_a_3a:F-Li-O-V,32.0,"Invalid WP multiplicities - A11BCD3_mP32_4_21a_a_a_6a:F-Li-O-V, expected LiV6OF21 to be LiV3OF11" +mp-850742,LiV3OF11,-6.4046046928,-2.9587547909,0.0514192922,0.0514192922,GGA+U,Pc,A11BCD3_mP32_7_11a_a_a_3a:F-Li-O-V,32.0,"Invalid WP multiplicities - A11BCD3_mP32_7_22a_a_a_6a:F-Li-O-V, expected LiV6OF22 to be LiV3OF11" +mp-850913,LiVOF3,-6.5633561142,-2.9510303558,0.0325756279,0.0325756279,GGA+U,P1,A3BCD_aP48_1_24a_8a_8a_8a:F-Li-O-V,48.0,A3BCD_aP48_1_24a_8a_8a_8a:F-Li-O-V +mp-1286464,LiVOF3,-6.5316362179,-2.9193104595,0.0642955242,0.0642955242,GGA+U,P1,A3BCD_aP12_1_6a_2a_2a_2a:F-Li-O-V,24.0,A3BCD_aP12_1_6a_2a_2a_2a:F-Li-O-V +mp-752885,LiVOF3,-6.5637979604000005,-2.951472202,0.0321337817,0.0321337817,GGA+U,P-1,A3BCD_aP12_2_3i_bh_i_cd:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_aP12_2_3i_bh_i_2cd:F-Li-O-V, expected Li2V3(OF3)2 to be LiVOF3" +mp-765230,LiVOF3,-6.5915783517,-2.9792525933,0.0043533904,0.0043533904,GGA+U,P2_1,A3BCD_mP12_4_3a_a_a_a:F-Li-O-V,12.0,"Invalid WP multiplicities - A3BCD_mP12_4_5a_a_a_a:F-Li-O-V, expected LiVOF5 to be LiVOF3" +mp-764721,LiVOF3,-6.5716445917,-2.9593188333,0.0242871504,0.0242871504,GGA+U,C2,A3BCD_mC24_5_3c_ab_c_c:F-Li-O-V,12.0,"Invalid WP multiplicities - A3BCD_mC24_5_6c_ab_c_c:F-Li-O-V, expected LiVOF6 to be LiVOF3" +mp-759672,LiVOF3,-6.5175492117000005,-2.9052234533,0.0783825304,0.0783825304,GGA+U,C2,A3BCD_mC24_5_3c_c_c_ab:F-Li-O-V,24.0,A3BCD_mC24_5_3c_c_c_ab:F-Li-O-V +mp-760365,LiVOF3,-6.5047780117,-2.8924522533,0.0911537304,0.0911537304,GGA+U,C2,A3BCD_mC48_5_6c_abc_2c_abc:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_mC48_5_11c_ab2c_2c_abc:F-Li-O-V, expected Li3V2O2F11 to be LiVOF3" +mp-764685,LiVOF3,-6.5726939617,-2.9603682033,0.0232377804,0.0232377804,GGA+U,Pc,A3BCD_mP24_7_6a_2a_2a_2a:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_mP24_7_10a_2a_2a_2a:F-Li-O-V, expected LiVOF5 to be LiVOF3" +mp-759440,LiVOF3,-6.5194817654,-2.907156007,0.0764499767,0.0764499767,GGA+U,P2_1/c,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_mP24_14_7e_e_e_e:F-Li-O-V, expected LiVOF7 to be LiVOF3" +mp-757620,LiVOF3,-6.5788218083,-2.9664960499,0.0171099337,0.0171099337,GGA+U,P2_1/c,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_mP24_14_10e_e_e_e:F-Li-O-V, expected LiVOF10 to be LiVOF3" +mp-764842,LiVOF3,-6.5646371592,-2.9523114008,0.0312945829,0.0312945829,GGA+U,P2_1/c,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_mP24_14_5e_e_e_e:F-Li-O-V, expected LiVOF5 to be LiVOF3" +mp-764845,LiVOF3,-6.5864456925,-2.9741199341,0.0094860496,0.0094860496,GGA+U,P2_1/c,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V,24.0,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V +mp-1578408,LiVOF3,-6.5646561071,-2.9523303487,0.031275635,0.031275635,GGA+U,P2_1/c,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V,24.0,A3BCD_mP24_14_3e_e_e_e:F-Li-O-V +mp-756068,LiVOF3,-6.5502503367,-2.9379245783,0.0456814054,0.0456814054,GGA+U,P2_12_12_1,A3BCD_oP24_19_3a_a_a_a:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_oP24_19_9a_a_a_a:F-Li-O-V, expected LiVOF9 to be LiVOF3" +mp-771408,LiVOF3,-6.547864949,-2.9355391906,0.0480667931,0.0480667931,GGA+U,P2_12_12_1,A3BCD_oP48_19_6a_2a_2a_2a:F-Li-O-V,48.0,"Invalid WP multiplicities - A3BCD_oP48_19_21a_4a_5a_5a:F-Li-O-V, expected Li4V5O5F21 to be LiVOF3" +mp-765498,LiVOF3,-6.5250781879,-2.9127524295,0.0708535542,0.0708535542,GGA+U,Pca2_1,A3BCD_oP24_29_3a_a_a_a:F-Li-O-V,24.0,A3BCD_oP24_29_3a_a_a_a:F-Li-O-V +mp-752577,LiVOF3,-6.5095780088,-2.8972522503,0.0863537333,0.0863537333,GGA+U,Pnc2,A3BCD_oP24_30_3c_2a_c_ab:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_oP24_30_9c_4a_c_2a2b:F-Li-O-V, expected Li2V2OF9 to be LiVOF3" +mp-764760,LiVOF3,-6.5779986442,-2.9656728858,0.0179330979,0.0179330979,GGA+U,Pna2_1,A3BCD_oP24_33_3a_a_a_a:F-Li-O-V,24.0,A3BCD_oP24_33_3a_a_a_a:F-Li-O-V +mp-765521,LiVOF3,-6.5587129504,-2.946387192,0.0372187917,0.0372187917,GGA+U,P4_1,A3BCD_tP24_76_3a_a_a_a:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_tP24_76_11a_a_a_a:F-Li-O-V, expected LiVOF11 to be LiVOF3" +mp-755024,LiVOF3,-6.5276873342,-2.9153615758,0.0682444079,0.0682444079,GGA+U,P4_1,A3BCD_tP24_76_3a_a_a_a:F-Li-O-V,24.0,"Invalid WP multiplicities - A3BCD_tP24_76_11a_a_a_a:F-Li-O-V, expected LiVOF11 to be LiVOF3" +mp-767820,Li4V8O13F3,-7.9661714607,-2.5965882402,0.069658601,0.069658601,GGA+U,P1,A3B4C13D8_aP28_1_3a_4a_13a_8a:F-Li-O-V,28.0,A3B4C13D8_aP28_1_3a_4a_13a_8a:F-Li-O-V +mp-759788,Li2VO3F,-6.7916006843000005,-2.5554154122,0.0833957425,0.0833957425,GGA+U,P1,AB2C3D_aP14_1_2a_4a_6a_2a:F-Li-O-V,14.0,AB2C3D_aP14_1_2a_4a_6a_2a:F-Li-O-V +mp-761101,Li2VO3F,-6.7892482939,-2.5530630218,0.0857481329,0.0857481329,GGA+U,P1,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V,28.0,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V +mp-801613,Li2VO3F,-4.8492851286,-0.6130998565,2.0257112982,2.0257112982,GGA+U,P1,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V,28.0,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V +mp-760211,Li2VO3F,-6.7724337136,-2.5362484415,0.1025627132,0.1025627132,GGA+U,P1,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V,28.0,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V +mp-1373278,Li2VO3F,-4.039516785,0.1966684871,2.8354796418,2.8354796418,GGA+U,P1,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V,28.0,AB2C3D_aP28_1_4a_8a_12a_4a:F-Li-O-V +mp-761092,Li2VO3F,-6.7842885171,-2.5481032451,0.0907079096,0.0907079096,GGA+U,Cc,AB2C3D_mC56_9_2a_4a_6a_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - AB2C3D_mC56_9_4a_7a_12a_2a:F-Li-O-V, expected Li7V2(O3F)4 to be Li2VO3F" +mp-772563,Li2VO2F3,-6.304881705,-2.738685939,0.0916988325,0.0916988325,GGA+U,Pnma,A3B2C2D_oP32_62_a2c_2c_d_c:F-Li-O-V,32.0,"Invalid WP multiplicities - A3B2C2D_oP32_62_2a6c_5c_d_c:F-Li-O-V, expected Li5V(OF4)2 to be Li2VO2F3" +mp-1519923,NaLiV4O12,-7.5323428056,-2.0363796403,0.200204471,0.200204471,GGA+U,Cmmm,ABC12D4_oC36_65_a_c_efno_m:Li-Na-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_65_a_c_2e2fno_m:Li-Na-O-V, expected NaLiV4O16 to be NaLiV4O12" +mp-760137,Li7V(O2F)2,-5.7047306336,-2.415010711,0.0859592332,0.0859592332,GGA+U,P1,A2B7C4D_aP14_1_2a_7a_4a_a:F-Li-O-V,56.0,A2B7C4D_aP14_1_2a_7a_4a_a:F-Li-O-V +mp-753379,Li7V(O2F)2,-5.6968328454,-2.4071129227,0.0938570214,0.0938570214,GGA+U,P1,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V,56.0,"Invalid WP multiplicities - A2B7C4D_aP28_1_4a_14a_8a_4a:F-Li-O-V, expected Li7V2(O2F)2 to be Li7V(O2F)2" +mp-861543,Li7V(O2F)2,-4.194145725,-0.9044258024,1.5965441418,1.5965441418,GGA+U,P1,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V,28.0,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V +mp-867592,Li7V(O2F)2,-5.6927481823,-2.4030282597,0.0979416845,0.0979416845,GGA+U,P1,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V,56.0,"Invalid WP multiplicities - A2B7C4D_aP28_1_4a_14a_8a_4a:F-Li-O-V, expected Li7V2(O2F)2 to be Li7V(O2F)2" +mp-1323962,Li7V(O2F)2,-5.0743576425,-1.7846377199,0.7163322243,0.7163322243,GGA+U,P1,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V,28.0,A2B7C4D_aP28_1_4a_14a_8a_2a:F-Li-O-V +mp-1220829,Na5Li3V8O24,-7.4796604558,-2.3863811383,0.0118253115,0.0118253115,GGA+U,P1,A3B5C24D8_aP40_1_3a_5a_24a_8a:Li-Na-O-V,40.0,A3B5C24D8_aP40_1_3a_5a_24a_8a:Li-Na-O-V +mp-774334,Na5Li3V8O24,-7.4794664555,-2.3861871381,0.0120193117,0.0120193117,GGA+U,C2,A3B5C24D8_mC80_5_ac_a2bc_12c_4c:Li-Na-O-V,40.0,"Invalid WP multiplicities - A3B5C24D8_mC80_5_ac_a2b2c_23c_8c:Li-Na-O-V, expected Na7Li3V16O46 to be Na5Li3V8O24" +mp-759621,LiV2O3F,-7.8933604814,-2.6321776089,0.0833144688,0.0833144688,GGA+U,Cm,ABC3D2_mC28_8_b_2a_4ab_2ab:F-Li-O-V,14.0,"Invalid WP multiplicities - ABC3D2_mC28_8_b_2a_4a2b_2a2b:F-Li-O-V, expected LiV3O4F to be LiV2O3F" +mp-753091,LiV2O3F,-7.9022138214,-2.6410309489,0.0744611288,0.0744611288,GGA+U,Cc,ABC3D2_mC56_9_2a_2a_6a_4a:F-Li-O-V,28.0,"Invalid WP multiplicities - ABC3D2_mC56_9_3a_4a_12a_5a:F-Li-O-V, expected Li4V5(O4F)3 to be LiV2O3F" +mp-765841,LiV2O3F,-7.8712339111,-2.6100510385,0.1054410391,0.1054410391,GGA+U,Pna2_1,ABC3D2_oP28_33_a_a_3a_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - ABC3D2_oP28_33_a_a_9a_4a:F-Li-O-V, expected LiV4O9F to be LiV2O3F" +mp-753294,LiV2O3F,-7.8910226486,-2.629839776,0.0856523016,0.0856523016,GGA+U,Imm2,ABC3D2_oI56_44_abc_2c_abc2e_abce:F-Li-O-V,28.0,ABC3D2_oI56_44_abc_2c_abc2e_abce:F-Li-O-V +mp-859784,LiV2O3F,-7.8896731736,-2.6284903010000003,0.0870017766,0.0870017766,GGA+U,Pnma,ABC3D2_oP28_62_c_c_cd_ac:F-Li-O-V,28.0,"Invalid WP multiplicities - ABC3D2_oP28_62_c_c_2c2d_2a2c:F-Li-O-V, expected LiV4O6F to be LiV2O3F" +mp-760197,Li5V2OF11,-5.8806018329,-3.0550553157,0.0480497582,0.0480497582,GGA+U,P1,A11B5CD2_aP38_1_22a_10a_2a_4a:F-Li-O-V,38.0,A11B5CD2_aP38_1_22a_10a_2a_4a:F-Li-O-V +mp-761271,Li2VOF4,-6.202968055,-3.0161735069,0.0172273787,0.0166903271,GGA+U,P1,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V,32.0,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V +mp-764837,Li2VOF4,-6.1511157272,-2.9643211791,0.0690797066,0.0685426549,GGA+U,P1,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V,32.0,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V +mp-1312877,Li2VOF4,-6.2156321659,-3.0288376179,0.0045632678,0.0040262162,GGA+U,P1,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V,32.0,A4B2CD_aP32_1_16a_8a_4a_4a:F-Li-O-V +mp-1298606,Li2VOF4,-6.2156923828,-3.0288978347,0.0045030509,0.0039659993,GGA+U,P2_1,A4B2CD_mP16_4_4a_2a_a_a:F-Li-O-V,32.0,A4B2CD_mP16_4_4a_2a_a_a:F-Li-O-V +mp-759716,Li2VOF4,-6.1263857706,-2.9395912226,0.0938096631,0.0932726115,GGA+U,Pm,A4B2CD_mP32_6_7a9b_4a4b_3ab_2a2b:F-Li-O-V,32.0,A4B2CD_mP32_6_7a9b_4a4b_3ab_2a2b:F-Li-O-V +mp-760282,Li2VOF4,-6.2151944731,-3.0283999251,0.0050009606,0.004463909,GGA+U,Cc,A4B2CD_mC32_9_4a_2a_a_a:F-Li-O-V,16.0,"Invalid WP multiplicities - A4B2CD_mC32_9_6a_2a_a_a:F-Li-O-V, expected Li2VOF6 to be Li2VOF4" +mp-1307846,Li2VOF4,-6.2155217325,-3.0287271844,0.0046737012,0.0041366496,GGA+U,Cc,A4B2CD_mC32_9_4a_2a_a_a:F-Li-O-V,16.0,A4B2CD_mC32_9_4a_2a_a_a:F-Li-O-V +mp-1177748,Li2VOF4,-6.2088752575,-3.0220807094,0.0113201762,0.0107831246,GGA+U,C2/c,A4B2CD_mC32_15_2f_f_e_a:F-Li-O-V,32.0,A4B2CD_mC32_15_2f_f_e_c:F-Li-O-V +mp-765589,Li2VOF4,-6.1557608531,-2.9689663051,0.0644345806,0.063897529,GGA+U,P2_12_12_1,A4B2CD_oP32_19_4a_2a_a_a:F-Li-O-V,32.0,"Invalid WP multiplicities - A4B2CD_oP32_19_12a_5a_a_a:F-Li-O-V, expected Li5VOF12 to be Li2VOF4" +mp-765622,Li2VOF4,-6.1580646103,-2.9712700622,0.0621308234,0.0615937718,GGA+U,Pna2_1,A4B2CD_oP32_33_4a_2a_a_a:F-Li-O-V,32.0,"Invalid WP multiplicities - A4B2CD_oP32_33_13a_5a_a_a:F-Li-O-V, expected Li5VOF13 to be Li2VOF4" +mp-761267,Li2VOF4,-6.2114125669,-3.0246180188,0.0087828669,0.0082458152,GGA+U,Cmc2_1,A4B2CD_oC32_36_4a_2a_a_a:F-Li-O-V,16.0,"Invalid WP multiplicities - A4B2CD_oC32_36_7a_3a_a_a:F-Li-O-V, expected Li3VOF7 to be Li2VOF4" +mp-780857,Li2VOF4,-6.2201954337,-3.0334008857,0.0,-0.0005370516,GGA+U,Cmcm,A4B2CD_oC32_63_2f_f_c_c:F-Li-O-V,16.0,A4B2CD_oC32_63_2f_f_c_c:F-Li-O-V +mp-775412,NaLi2V3O9,-7.5203908912,-2.3929050486,0.0191865767,0.0191865767,GGA+U,C2,A2BC9D3_mC120_5_ab3c_abc_18c_6c:Li-Na-O-V,60.0,"Invalid WP multiplicities - A2BC9D3_mC120_5_ab6c_ab2c_35c_10c:Li-Na-O-V, expected Na3Li7V10O35 to be NaLi2V3O9" +mp-760189,LiVOF4,-6.2157056246,-2.8463579792,0.0180703696,0.0180703696,GGA+U,P1,A4BCD_aP28_1_16a_4a_4a_4a:F-Li-O-V,28.0,A4BCD_aP28_1_16a_4a_4a_4a:F-Li-O-V +mp-760242,LiVOF4,-6.1976254593,-2.8282778139,0.0361505349,0.0361505349,GGA+U,P-1,A4BCD_aP14_2_4i_i_i_ab:F-Li-O-V,14.0,"Invalid WP multiplicities - A4BCD_aP14_2_7i_i_i_ab:F-Li-O-V, expected LiVOF7 to be LiVOF4" +mp-850188,LiVOF4,-6.1931239779,-2.8237763324,0.0406520163,0.0406520163,GGA+U,Cmc2_1,A4BCD_oC28_36_4a_a_a_a:F-Li-O-V,14.0,"Invalid WP multiplicities - A4BCD_oC28_36_7a_a_a_a:F-Li-O-V, expected LiVOF7 to be LiVOF4" +mp-761097,LiV2OF7,-6.4329243491,-2.9416719409,0.0722300941,0.0722300941,GGA+U,Cm,A7BCD2_mC22_8_3a2b_a_a_b:F-Li-O-V,22.0,A7BCD2_mC22_8_3a2b_a_a_b:F-Li-O-V +mp-764752,LiV2OF7,-6.4228082636,-2.9315558554,0.0823461796,0.0823461796,GGA+U,Pc,A7BCD2_mP22_7_7a_a_a_2a:F-Li-O-V,22.0,"Invalid WP multiplicities - A7BCD2_mP22_7_7a_a_a_4a:F-Li-O-V, expected LiV4OF7 to be LiV2OF7" +mp-1283001,LiV2OF7,-6.4523842445,-2.9611318363,0.0527701987,0.0527701987,GGA+U,Cm,A7BCD2_mC22_8_3a2b_a_a_b:F-Li-O-V,11.0,A7BCD2_mC22_8_3a2b_a_a_b:F-Li-O-V +mp-1285272,LiV2OF7,-6.4533844145,-2.9621320063,0.0517700287,0.0517700287,GGA+U,Imm2,A7BCD2_oI22_44_a2be_a_a_c:F-Li-O-V,11.0,A7BCD2_oI22_44_a2be_a_a_c:F-Li-O-V +mp-752634,Li2V4O5F8,-7.0258489847,-2.8059150211,0.0737731329,0.0737731329,GGA+U,C2/m,A8B2C5D4_mC38_12_4i_i_a2i_2i:F-Li-O-V,19.0,"Invalid WP multiplicities - A8B2C5D4_mC38_12_7i_i_a3i_3i:F-Li-O-V, expected Li2V6(OF2)7 to be Li2V4O5F8" +mp-761103,Li5VO4F,-6.1203071027,-2.4542385377,0.047608297,0.047608297,GGA+U,P2_1,AB5C4D_mP22_4_a_5a_4a_a:F-Li-O-V,22.0,"Invalid WP multiplicities - AB5C4D_mP22_4_a_9a_7a_a:F-Li-O-V, expected Li9VO7F to be Li5VO4F" +mp-759609,Li5VO4F,-6.1223988755,-2.4563303104,0.0455165243,0.0455165243,GGA+U,Cm,AB5C4D_mC22_8_a_5a_4a_a:F-Li-O-V,11.0,AB5C4D_mC22_8_a_5a_4a_a:F-Li-O-V +mp-758384,Li5VO4F,-6.1220073809,-2.4559388158,0.0459080189,0.0459080189,GGA+U,Cc,AB5C4D_mC44_9_a_5a_4a_a:F-Li-O-V,22.0,"Invalid WP multiplicities - AB5C4D_mC44_9_a_10a_6a_a:F-Li-O-V, expected Li10VO6F to be Li5VO4F" +mp-760326,Li2VOF5,-5.9593020711,-2.9142092542,0.025156613,0.025156613,GGA+U,Pc,A5B2CD_mP18_7_5a_2a_a_a:F-Li-O-V,18.0,"Invalid WP multiplicities - A5B2CD_mP18_7_10a_4a_a_a:F-Li-O-V, expected Li4VOF10 to be Li2VOF5" +mp-752498,Li2VOF5,-5.9546441511,-2.9095513342,0.029814533,0.029814533,GGA+U,Imm2,A5B2CD_oI18_44_acd_c_a_a:F-Li-O-V,9.0,A5B2CD_oI18_44_acd_c_a_a:F-Li-O-V +mp-757198,Li2VOF5,-5.9810673222,-2.9359745053,0.0033913619,0.0033913619,GGA+U,P3_1,A5B2CD_hP27_144_5a_2a_a_a:F-Li-O-V,27.0,"Invalid WP multiplicities - A5B2CD_hP27_144_14a_2a_a_a:F-Li-O-V, expected Li2VOF14 to be Li2VOF5" +mp-799262,Li3VO3F2,-4.3007549867,-0.5814551268,2.1744967931,2.1744967931,GGA+U,P1,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V,9.0,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V +mp-761111,Li3VO3F2,-6.3636371022,-2.6443372424,0.1116146775,0.1116146775,GGA+U,P1,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V,9.0,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V +mp-1398000,Li3VO3F2,-5.0571256278,-1.3378257679,1.4181261519,1.4181261519,GGA+U,P1,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V,9.0,A2B3C3D_aP9_1_2a_3a_3a_a:F-Li-O-V +mp-850210,Li3VO3F2,-6.4005420811,-2.6812422213,0.0747096986,0.0747096986,GGA+U,Cc,A2B3C3D_mC36_9_2a_3a_3a_a:F-Li-O-V,18.0,"Invalid WP multiplicities - A2B3C3D_mC36_9_2a_5a_4a_a:F-Li-O-V, expected Li5V(O2F)2 to be Li3VO3F2" +mp-1305656,Li2V3(OF)4,-7.3135617865,-2.8133898897,0.0603277228,0.0603277228,GGA+U,P1,A4B2C4D3_aP26_1_8a_4a_8a_6a:F-Li-O-V,26.0,A4B2C4D3_aP26_1_8a_4a_8a_6a:F-Li-O-V +mp-752838,Li2V3(OF)4,-7.3229682,-2.8227963032,0.0509213094,0.0509213094,GGA+U,Pm,A4B2C4D3_mP13_6_2a2b_ab_2a2b_2ab:F-Li-O-V,26.0,A4B2C4D3_mP13_6_2a2b_ab_2a2b_2ab:F-Li-O-V +mp-759836,Li2V2OF5,-6.60061472,-2.9516405778,0.0751086999,0.0751086999,GGA+U,P1,A5B2CD2_aP10_1_5a_2a_a_2a:F-Li-O-V,10.0,A5B2CD2_aP10_1_5a_2a_a_2a:F-Li-O-V +mp-1383360,Li2V2OF5,-3.176129381,0.4728447612,3.4995940389,3.4995940389,GGA+U,P1,A5B2CD2_aP10_1_5a_2a_a_2a:F-Li-O-V,10.0,A5B2CD2_aP10_1_5a_2a_a_2a:F-Li-O-V +mp-777270,Li11V6O5F19,-6.3247127151,-2.9941485226,0.0742679175,0.0742679175,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-777521,Li11V6O5F19,-6.3161238520000005,-2.9855596595,0.0828567807,0.0828567807,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-780480,Li11V6O5F19,-6.3187345076,-2.9881703151,0.0802461251,0.0802461251,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-779345,Li11V6O5F19,-6.3205224644,-2.9899582719,0.0784581683,0.0784581683,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-849591,Li11V6O5F19,-6.3290399798,-2.9984757873000003,0.0699406529,0.0699406529,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-778354,Li11V6O5F19,-6.3117786576,-2.9812144651,0.0872019751,0.0872019751,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-1178094,Li11V6O5F19,-6.3193104951,-2.9887463026,0.0796701375,0.0796701375,GGA+U,P1,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V,41.0,A19B11C5D6_aP41_1_19a_11a_5a_6a:F-Li-O-V +mp-1114229,Na2LiVF6,-5.531407474,-3.0207321411,0.137307852,0.137307852,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-V,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-V +mp-775890,Li7V6(OF)12,-6.7685830095,-2.7100989924,0.0482165281,0.0482165281,GGA+U,P1,A12B7C12D6_aP74_1_24a_14a_24a_12a:F-Li-O-V,74.0,A12B7C12D6_aP74_1_24a_14a_24a_12a:F-Li-O-V +mp-753466,LiV3(OF3)2,-7.1833916808,-2.9731506555,0.0799719404,0.06029868,GGA+U,P-1,A6BC2D3_aP24_2_6i_i_2i_3i:F-Li-O-V,24.0,"Invalid WP multiplicities - A6BC2D3_aP24_2_11i_i_3i_5i:F-Li-O-V, expected LiV5O3F11 to be LiV3(OF3)2" +mp-867665,LiV3(OF3)2,-7.2633636212,-3.0531225959,0.0,-0.0196732604,GGA+U,P2_1/c,A6BC2D3_mP24_14_3e_a_e_de:F-Li-O-V,24.0,"Invalid WP multiplicities - A6BC2D3_mP24_14_9e_a_e_2b2e:F-Li-O-V, expected LiV6(OF9)2 to be LiV3(OF3)2" +mp-753475,LiV3(OF3)2,-7.1818041708,-2.9715631455,0.0815594504,0.06188619,GGA+U,P-3m1,A6BC2D3_hP12_164_i_a_d_f:F-Li-O-V,12.0,A6BC2D3_hP12_164_i_a_d_f:F-Li-O-V +mp-765596,LiV2O5F,-7.6266092861,-2.435314005,0.0492863711,0.0492863711,GGA+U,P2_12_12,ABC5D2_oP36_18_c_ab_5c_2c:F-Li-O-V,36.0,"Invalid WP multiplicities - ABC5D2_oP36_18_c_2a2b_18c_7c:F-Li-O-V, expected Li2V7O18F to be LiV2O5F" +mp-765046,Li4V2OF7,-6.1639091289,-3.0117273368,0.0547920324,0.0547920324,GGA+U,P1,A7B4CD2_aP14_1_7a_4a_a_2a:F-Li-O-V,28.0,"Invalid WP multiplicities - A7B4CD2_aP14_1_7a_4a_a_4a:F-Li-O-V, expected Li4V4OF7 to be Li4V2OF7" +mp-757993,Li4V2OF7,-6.1566962907,-3.0045144985,0.0620048706,0.0620048706,GGA+U,Cm,A7B4CD2_mC28_8_3a2b_4a_a_b:F-Li-O-V,14.0,A7B4CD2_mC28_8_3a2b_4a_a_b:F-Li-O-V +mp-761099,Li7VO5F,-5.8702840075000005,-2.3637633889,0.0438352695,0.0438352695,GGA+U,P1,AB7C5D_aP28_1_2a_14a_10a_2a:F-Li-O-V,28.0,AB7C5D_aP28_1_2a_14a_10a_2a:F-Li-O-V +mp-752966,Li7VO5F,-5.8330444621,-2.3265238435,0.0810748148,0.0810748148,GGA+U,P1,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V,14.0,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V +mp-764775,Li7VO5F,-5.8475313023,-2.3410106837,0.0665879746,0.0665879746,GGA+U,P1,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V,56.0,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V +mp-799536,Li7VO5F,-5.1626626357,-1.6561420171,0.7514566412,0.7514566412,GGA+U,P1,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V,14.0,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V +mp-759471,Li7VO5F,-5.8472272314,-2.3407066128,0.0668920455,0.0668920455,GGA+U,P1,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V,14.0,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V +mp-1392200,Li7VO5F,-4.9237926714,-1.4172720528,0.9903266055,0.9903266055,GGA+U,P1,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V,14.0,AB7C5D_aP14_1_a_7a_5a_a:F-Li-O-V +mp-759648,Li7VO5F,-5.8518239232,-2.3453033046,0.0622953537,0.0622953537,GGA+U,P-1,AB7C5D_aP28_2_i_7i_5i_i:F-Li-O-V,28.0,"Invalid WP multiplicities - AB7C5D_aP28_2_i_12i_10i_i:F-Li-O-V, expected Li12VO10F to be Li7VO5F" +mp-776500,Li3V2(OF)4,-6.6860650669,-2.737814955,0.0730674954,0.0730674954,GGA+U,P1,A4B3C4D2_aP26_1_8a_6a_8a_4a:F-Li-O-V,26.0,A4B3C4D2_aP26_1_8a_6a_8a_4a:F-Li-O-V +mp-754864,Li3V2(OF)4,-6.66763462,-2.7193845081,0.0914979423,0.0914979423,GGA+U,P2_1,A4B3C4D2_mP26_4_4a_3a_4a_2a:F-Li-O-V,26.0,A4B3C4D2_mP26_4_8a_6a_8a_4a:F-Li-O-V +mp-1177506,Li3V2(OF)4,-6.6758647554,-2.7276146435,0.0832678069,0.0832678069,GGA+U,Pm,A4B3C4D2_mP13_6_2a2b_2ab_2a2b_ab:F-Li-O-V,13.0,A4B3C4D2_mP13_6_2a2b_2ab_2a2b_ab:F-Li-O-V +mp-752988,LiV3(OF2)4,-6.65737924,-2.6424275111,0.0771007174,0.0771007174,GGA+U,P1,A8BC4D3_aP16_1_8a_a_4a_3a:F-Li-O-V,16.0,A8BC4D3_aP16_1_8a_a_4a_3a:F-Li-O-V +mp-776317,Li11V12(OF)24,-6.7853121413,-2.6360015967,0.0568169257,0.0568169257,GGA+U,P1,A24B11C24D12_aP71_1_24a_11a_24a_12a:F-Li-O-V,71.0,A24B11C24D12_aP71_1_24a_11a_24a_12a:F-Li-O-V +mp-801740,LiV2O2F3,-6.1728141025,-1.709745436,1.231544007,1.231544007,GGA+U,P-1,A3BC2D2_aP16_2_3i_i_2i_2i:F-Li-O-V,16.0,"Invalid WP multiplicities - A3BC2D2_aP16_2_5i_i_3i_3i:F-Li-O-V, expected LiV3O3F5 to be LiV2O2F3" +mp-752937,LiV2O2F3,-7.335808545,-2.8727398785,0.0685495645,0.0685495645,GGA+U,Cmcm,A3BC2D2_oC32_63_cf_c_f_f:F-Li-O-V,16.0,"Invalid WP multiplicities - A3BC2D2_oC32_63_c2f_c_f_f:F-Li-O-V, expected LiV2O2F5 to be LiV2O2F3" +mp-753928,LiV2O2F3,-7.3525708269,-2.8895021604,0.0517872826,0.0517872826,GGA+U,Cc,A3BC2D2_mC32_9_3a_a_2a_2a:F-Li-O-V,16.0,"Invalid WP multiplicities - A3BC2D2_mC32_9_4a_a_2a_2a:F-Li-O-V, expected LiV2(OF2)2 to be LiV2O2F3" +mp-753463,LiV2O2F3,-7.3417695069,-2.8787008404,0.0625886026,0.0625886026,GGA+U,C2/m,A3BC2D2_mC32_12_3i_i_2i_2i:F-Li-O-V,16.0,"Invalid WP multiplicities - A3BC2D2_mC32_12_5i_i_3i_3i:F-Li-O-V, expected LiV3O3F5 to be LiV2O2F3" +mp-753060,LiV2O2F3,-7.3172939319,-2.8542252654,0.0870641776,0.0870641776,GGA+U,C2/c,A3BC2D2_mC32_15_ef_a_f_f:F-Li-O-V,16.0,A3BC2D2_mC32_15_ef_c_f_f:F-Li-O-V +mp-1176552,LiV2O2F3,-7.3278086919,-2.8647400254,0.0765494176,0.0765494176,GGA+U,C2/c,A3BC2D2_mC32_15_ef_a_f_f:F-Li-O-V,16.0,"Invalid WP multiplicities - A3BC2D2_mC32_15_2ef_c_f_f:F-Li-O-V, expected LiV2(OF2)2 to be LiV2O2F3" +mp-1235307,LiV6O11F,-8.4026743,-2.4691261906,0.1017754682,0.1017754682,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V +mp-1235579,LiV6O11F,-8.4021876705,-2.4686395612,0.1022620976,0.1022620976,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V +mp-1236176,LiV6O11F,-8.4179887968,-2.4844406875,0.0864609713,0.0864609713,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:F-Li-O-V +mp-1235260,LiV6O11F,-8.41845559,-2.4849074806,0.0859941782,0.0859941782,GGA+U,Cm,ABC11D6_mC38_8_a_a_5a3b_6a:F-Li-O-V,19.0,"Invalid WP multiplicities - ABC11D6_mC38_8_a_a_5a6b_6a:F-Li-O-V, expected LiV6O17F to be LiV6O11F" +mp-1235543,LiV6O11F,-8.34438823,-2.4108401206,0.1600615382,0.1600615382,GGA+U,Cm,ABC11D6_mC38_8_a_a_5a3b_6a:F-Li-O-V,19.0,"Invalid WP multiplicities - ABC11D6_mC38_8_a_a_5a6b_6a:F-Li-O-V, expected LiV6O17F to be LiV6O11F" +mp-1220781,NaLi3V4O12,-7.531481489,-2.3942223536,0.0218358098,0.0218358098,GGA+U,C2,A3BC12D4_mC40_5_a2b_a_6c_2c:Li-Na-O-V,20.0,A3BC12D4_mC40_5_a2b_a_6c_2c:Li-Na-O-V +mp-757210,Li6VO4F,-5.8103336212,-2.2906938644,0.0994469708,0.0994469708,GGA+U,P2_1,AB6C4D_mP24_4_a_6a_4a_a:F-Li-O-V,48.0,AB6C4D_mP24_4_a_6a_4a_a:F-Li-O-V +mp-757416,Li2V4OF12,-6.5844539642,-3.0035115255,0.1645974414,0.1645974414,GGA+U,P1,A12B2CD4_aP19_1_12a_2a_a_4a:F-Li-O-V,19.0,A12B2CD4_aP19_1_12a_2a_a_4a:F-Li-O-V +mp-753231,Li2V4O3F8,-7.1021484006,-2.9677149955,0.0660036149,0.0660036149,GGA+U,P-1,A8B2C3D4_aP17_2_4i_i_ai_2i:F-Li-O-V,17.0,"Invalid WP multiplicities - A8B2C3D4_aP17_2_7i_i_ai_3i:F-Li-O-V, expected Li2V6O3F14 to be Li2V4O3F8" +mp-802073,Li2V4O3F8,-6.3405826229,-2.2061492178,0.8275693926000001,0.8275693926000001,GGA+U,P-1,A8B2C3D4_aP17_2_4i_i_ai_2i:F-Li-O-V,17.0,"Invalid WP multiplicities - A8B2C3D4_aP17_2_7i_i_ai_3i:F-Li-O-V, expected Li2V6O3F14 to be Li2V4O3F8" +mp-1280055,Li3V2(OF)3,-6.8376097318,-2.7949657522,0.0843272419,0.0843272419,GGA+U,Cm,A3B3C3D2_mC22_8_3a_3a_3a_2a:F-Li-O-V,11.0,A3B3C3D2_aP11_1_3a_3a_3a_2a:F-Li-O-V +mp-765357,Li3V2(OF)3,-6.8371066055,-2.7944626258,0.0848303683,0.0848303683,GGA+U,R3m,A3B3C3D2_hR33_160_3a_3a_3a_2a:F-Li-O-V,22.0,"Invalid WP multiplicities - A3B3C3D2_hR33_160_3a_3a_3a_4a:F-Li-O-V, expected Li3V4(OF)3 to be Li3V2(OF)3" +mp-787551,Na5LiV6O18,-5.6027258448,-0.5338797596,1.8544065245,1.8544065245,GGA+U,P1,AB5C18D6_aP60_1_2a_10a_36a_12a:Li-Na-O-V,60.0,AB5C18D6_aP60_1_2a_10a_36a_12a:Li-Na-O-V +mp-758474,Li4V3(OF2)4,-6.5862878758,-2.9038670199,0.0439421271,0.0439421271,GGA+U,P1,A8B4C4D3_aP19_1_8a_4a_4a_3a:F-Li-O-V,19.0,A8B4C4D3_aP19_1_8a_4a_4a_3a:F-Li-O-V +mp-753535,Li5VO3F2,-5.9230362927,-2.5328958862,0.0877871305,0.0877871305,GGA+U,Cm,A2B5C3D_mC22_8_2a_5a_3a_a:F-Li-O-V,44.0,A2B5C3D_mC22_8_2a_5a_3a_a:F-Li-O-V +mp-752747,Li5VO3F2,-5.9324312966,-2.54229089,0.0783921266,0.0783921266,GGA+U,C2/m,A2B5C3D_mC22_12_i_c2i_bi_a:F-Li-O-V,44.0,A2B5C3D_mC22_12_i_c2i_ai_b:F-Li-O-V +mp-752889,Li8VO5F,-5.6754142978,-2.275400196,0.0491168745,0.0491168745,GGA+U,P1,AB8C5D_aP15_1_a_8a_5a_a:F-Li-O-V,60.0,AB8C5D_aP15_1_a_8a_5a_a:F-Li-O-V +mp-859132,Li8VO5F,-5.673161852,-2.2731477502,0.0513693203,0.0513693203,GGA+U,P6_3,AB8C5D_hP30_173_b_2b2c_abc_a:F-Li-O-V,30.0,"Invalid WP multiplicities - AB8C5D_hP30_173_b_4b9c_a2b3c_a:F-Li-O-V, expected Li31VO12F to be Li8VO5F" +mp-1111338,NaLi2VF6,-5.398592337,-2.8292772468000003,0.364857116,0.364857116,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Na-V +mp-780936,Li5V6O5F19,-6.5192655249,-2.9449913908000003,0.0549992008,0.0549992008,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-776992,Li5V6O5F19,-6.5085350591,-2.9342609251000003,0.0657296665,0.0657296665,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-777740,Li5V6O5F19,-6.5098135157,-2.9355393817,0.0644512099,0.0644512099,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-779337,Li5V6O5F19,-6.5314346489,-2.9571605148,0.0428300768,0.0428300768,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-778233,Li5V6O5F19,-6.5257020953,-2.9514279612000003,0.0485626303,0.0485626303,GGA+U,P1,A19B5C5D6_aP70_1_38a_10a_10a_12a:F-Li-O-V,70.0,A19B5C5D6_aP70_1_38a_10a_10a_12a:F-Li-O-V +mp-1177029,Li5V6O5F19,-6.5346479443,-2.9603738102,0.0396167813,0.0396167813,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-1177030,Li5V6O5F19,-6.5360327574,-2.9617586234,0.0382319682,0.0382319682,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-777783,Li5V6O5F19,-6.5137168029,-2.9394426688,0.0605479228,0.0605479228,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-777288,Li5V6O5F19,-6.5080258266,-2.9337516925,0.066238899,0.066238899,GGA+U,P1,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V,35.0,A19B5C5D6_aP35_1_19a_5a_5a_6a:F-Li-O-V +mp-805821,Li3V4(OF3)3,-4.5789725389,-0.6786688694,2.3694569877,2.3694569877,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-775947,Li3V4(OF3)3,-6.8564999389,-2.9561962694,0.0919295877,0.0919295877,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-849712,Li3V4(OF3)3,-6.8571846232,-2.9568809536,0.0912449035,0.0912449035,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-755439,Li3V4(OF3)3,-6.8525073032,-2.9522036336,0.0959222235,0.0959222235,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-779062,Li3V4(OF3)3,-6.8511375832,-2.9508339136,0.0972919435,0.0972919435,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-778178,Li3V4(OF3)3,-6.8503594226,-2.9500557531,0.098070104,0.098070104,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-778106,Li3V4(OF3)3,-6.8545428592,-2.9542391897,0.0938866674,0.0938866674,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-778208,Li3V4(OF3)3,-6.8581250978,-2.9578214282,0.0903044288,0.0903044288,GGA+U,P1,A9B3C3D4_aP76_1_36a_12a_12a_16a:F-Li-O-V,76.0,A9B3C3D4_aP76_1_36a_12a_12a_16a:F-Li-O-V +mp-778244,Li3V4(OF3)3,-6.8531340274,-2.9528303578,0.0952954992,0.0952954992,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-778226,Li3V4(OF3)3,-6.8481681795,-2.9478645099,0.1002613471,0.1002613471,GGA+U,P1,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V,38.0,A9B3C3D4_aP38_1_18a_6a_6a_8a:F-Li-O-V +mp-754854,Li3V4(OF3)3,-6.8518485911,-2.9515449215,0.0965809356,0.0965809356,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-850774,Li3V4(OF3)3,-6.8378157032,-2.9375120336,0.1106138235,0.1106138235,GGA+U,P1,A9B3C3D4_aP76_1_36a_12a_12a_16a:F-Li-O-V,76.0,A9B3C3D4_aP76_1_36a_12a_12a_16a:F-Li-O-V +mp-1333053,Li3V4(OF3)3,-5.6893899132,-1.7890862436,1.2590396135,1.2590396135,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-1372233,Li3V4(OF3)3,-5.6367058689,-1.7364021994,1.3117236577,1.3117236577,GGA+U,P1,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V,19.0,A9B3C3D4_aP19_1_9a_3a_3a_4a:F-Li-O-V +mp-760816,Li3VOF5,-5.9747860573,-3.0433102354,0.0165993928,0.0165993928,GGA+U,P1,A5B3CD_aP40_1_20a_12a_4a_4a:F-Li-O-V,40.0,A5B3CD_aP40_1_20a_12a_4a_4a:F-Li-O-V +mp-801461,Li3VOF5,-4.417546704,-1.4860708821,1.573838746,1.573838746,GGA+U,P1,A5B3CD_aP40_1_20a_12a_4a_4a:F-Li-O-V,40.0,A5B3CD_aP40_1_20a_12a_4a_4a:F-Li-O-V +mp-765358,Li3VOF5,-5.965228609,-3.0337527871,0.026156841,0.026156841,GGA+U,Pc,A5B3CD_mP20_7_5a_3a_a_a:F-Li-O-V,40.0,A5B3CD_mP20_7_5a_3a_a_a:F-Li-O-V +mp-757350,Li3VOF5,-5.8984270295000005,-2.9669512076,0.0929584205,0.0929584205,GGA+U,Imm2,A5B3CD_oI20_44_acd_bc_a_a:F-Li-O-V,20.0,A5B3CD_oI20_44_acd_bc_a_a:F-Li-O-V +mp-776414,LiV4OF11,-6.8980642441,-3.1205639794,0.0416441581,0.0416441581,GGA+U,P1,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V,17.0,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V +mp-776457,LiV4OF11,-6.8915484729,-3.1140482082,0.0481599293,0.0481599293,GGA+U,P1,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V,17.0,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V +mp-777831,LiV4OF11,-6.9011919971,-3.1236917323,0.0385164051,0.0385164051,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-778107,LiV4OF11,-6.8989510624,-3.1214507976,0.0407573399,0.0407573399,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-779759,LiV4OF11,-6.8773194368,-3.099819172,0.0623889654,0.0623889654,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-778177,LiV4OF11,-6.8910546247,-3.11355436,0.0486537775,0.0486537775,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-1176561,LiV4OF11,-6.8936926006,-3.1161923359,0.0460158016,0.0460158016,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-777854,LiV4OF11,-6.8909239218,-3.113423657,0.0487844804,0.0487844804,GGA+U,P1,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V,34.0,A11BCD4_aP34_1_22a_2a_2a_8a:F-Li-O-V +mp-1367296,LiV4OF11,-5.7390849206,-1.9615846559,1.2006234816,1.2006234816,GGA+U,P1,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V,17.0,A11BCD4_aP17_1_11a_a_a_4a:F-Li-O-V +mp-779025,LiV4OF11,-6.8890872676,-3.1115870029,0.0506211346,0.0506211346,GGA+U,P-1,A11BCD4_aP34_2_11i_i_i_be3i:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_aP34_2_22i_i_i_be5i:F-Li-O-V, expected LiV6OF22 to be LiV4OF11" +mp-849737,LiV4OF11,-6.8861167726,-3.1086165079,0.0535916296,0.0535916296,GGA+U,P-1,A11BCD4_aP34_2_11i_i_i_be3i:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_aP34_2_22i_i_i_be6i:F-Li-O-V, expected LiV7OF22 to be LiV4OF11" +mp-1176557,LiV4OF11,-6.8730645918,-3.095564327,0.0666438104,0.0666438104,GGA+U,P-1,A11BCD4_aP34_2_11i_i_i_bc3i:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_aP34_2_20i_i_i_be5i:F-Li-O-V, expected LiV6OF20 to be LiV4OF11" +mp-755111,LiV4OF11,-6.8894028265,-3.1119025617,0.0503055757,0.0503055757,GGA+U,P2,A11BCD4_mP17_3_bcd4e_a_a_2e:F-Li-O-V,17.0,A11BCD4_mP17_3_bcd4e_a_a_2e:F-Li-O-V +mp-779753,LiV4OF11,-6.9015171203,-3.1240168556,0.0381912819,0.0381912819,GGA+U,C2,A11BCD4_mC68_5_ab10c_c_c_4c:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_mC68_5_ab16c_c_c_6c:F-Li-O-V, expected LiV6OF17 to be LiV4OF11" +mp-777640,LiV4OF11,-6.8876625965,-3.1101623317,0.0520458057,0.0520458057,GGA+U,C2,A11BCD4_mC68_5_ab10c_c_c_4c:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_mC68_5_ab16c_c_c_7c:F-Li-O-V, expected LiV7OF17 to be LiV4OF11" +mp-777832,LiV4OF11,-6.8773018094000005,-3.0998015447,0.0624065928,0.0624065928,GGA+U,C2,A11BCD4_mC68_5_ab10c_c_c_4c:F-Li-O-V,34.0,"Invalid WP multiplicities - A11BCD4_mC68_5_ab16c_c_c_5c:F-Li-O-V, expected LiV5OF17 to be LiV4OF11" +mp-752564,Li3V4O5F7,-7.0621950805,-2.8423956485,0.0851233368,0.0851233368,GGA+U,P1,A7B3C5D4_aP19_1_7a_3a_5a_4a:F-Li-O-V,19.0,A7B3C5D4_aP19_1_7a_3a_5a_4a:F-Li-O-V +mp-769511,NaLiV2O6,-7.4969987998,-2.389059543,0.0150990062,0.0150944215,GGA+U,P1,ABC6D2_aP40_1_4a_4a_24a_8a:Li-Na-O-V,40.0,ABC6D2_aP40_1_4a_4a_24a_8a:Li-Na-O-V +mp-1221048,NaLiV2O6,-7.512097806,-2.4041585492,0.0,-4.5848000000000006e-06,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Li-Na-O-V,20.0,ABC6D2_mC40_15_e_e_3f_f:Li-Na-O-V +mp-765630,Li6V2O5F2,-6.363283289,-2.4847665669,0.1022455623,0.1022455623,GGA+U,P1,A2B6C5D2_aP30_1_4a_12a_10a_4a:F-Li-O-V,30.0,A2B6C5D2_aP30_1_4a_12a_10a_4a:F-Li-O-V +mp-764951,Li6V2O5F2,-6.3710436997,-2.4925269776,0.0944851517,0.0944851517,GGA+U,P-1,A2B6C5D2_aP30_2_2i_6i_5i_2i:F-Li-O-V,30.0,"Invalid WP multiplicities - A2B6C5D2_aP30_2_2i_11i_9i_3i:F-Li-O-V, expected Li11V3O9F2 to be Li6V2O5F2" +mp-759582,Li6V2O5F2,-6.355482637,-2.4769659149,0.1100462143,0.1100462143,GGA+U,Pc,A2B6C5D2_mP30_7_2a_6a_5a_2a:F-Li-O-V,30.0,A2B6C5D2_mP30_7_4a_12a_10a_4a:F-Li-O-V +mp-759940,Li5V4O12F,-7.3083023393,-2.4377576977,0.0572897907,0.0572897907,GGA+U,P2_1/c,AB5C12D4_mP44_14_a_b2e_6e_2e:F-Li-O-V,44.0,"Invalid WP multiplicities - AB5C12D4_mP44_14_a_2b8e_23e_7e:F-Li-O-V, expected Li18V14O46F to be Li5V4O12F" +mp-777414,Na7Li3V10O30,-7.4668770027,-2.3823936489,0.0122415413,0.0122415413,GGA+U,P1,A3B7C30D10_aP100_1_6a_14a_60a_20a:Li-Na-O-V,100.0,A3B7C30D10_aP100_1_6a_14a_60a_20a:Li-Na-O-V +mp-774938,Na7Li3V10O30,-7.4672517137,-2.3827683599,0.0118668303,0.0118668303,GGA+U,P1,A3B7C30D10_aP100_1_6a_14a_60a_20a:Li-Na-O-V,100.0,A3B7C30D10_aP100_1_6a_14a_60a_20a:Li-Na-O-V +mp-1216259,Y2Al3Ga3(BO3)8,-8.1467241465,-3.011483621,0.0051083357,0.0051083357,GGA,P1,A3B8C3D24E2_aP40_1_3a_8a_3a_24a_2a:Al-B-Ga-O-Y,40.0,A3B8C3D24E2_aP40_1_3a_8a_3a_24a_2a:Al-B-Ga-O-Y +mp-1207603,YGa3(BO3)4,-7.861768392,-2.780338852,0.0032653238,0.0032653238,GGA,R32,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Y,20.0,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Y +mp-1197317,NaMnO3F4,-5.3021440858,-1.638752687,0.3013241857,0.3013241857,GGA+U,C2/c,A4BCD3_mC72_15_4f_ce_f_3f:F-Mn-Na-O,36.0,A4BCD3_mC72_15_4f_ae_f_3f:F-Mn-Na-O +mp-1194939,Na12Mn3S6(O3F)8,-6.1762886192,-2.3614318379,0.0,-0.0044758567,GGA+U,P-1,A8B3C12D24E6_aP53_2_4i_bcd_6i_12i_3i:F-Mn-Na-O-S,53.0,A8B3C12D24E6_aP53_2_4i_bcd_6i_12i_3i:F-Mn-Na-O-S +mp-1342613,Na12Mn3S6(O3F)8,-0.8593685398,2.9554882415,5.3169200794,5.3124442227,GGA+U,P-1,A8B3C12D24E6_aP53_2_4i_bcd_6i_12i_3i:F-Mn-Na-O-S,53.0,A8B3C12D24E6_aP53_2_4i_bcd_6i_12i_3i:F-Mn-Na-O-S +mp-1195590,Na3MnS2(O4F)2,-6.3292511628,-2.2793162546,0.0,-0.0166787648,GGA+U,Pbcn,A2BC3D8E2_oP64_60_d_c_cd_4d_d:F-Mn-Na-O-S,64.0,A2BC3D8E2_oP64_60_d_c_cd_4d_d:F-Mn-Na-O-S +mp-1194736,Na5Mn3S4(O4F)4,-6.5906571534000005,-2.2957381828,0.0,-0.0080028224,GGA+U,P-1,A4B3C5D16E4_aP32_2_2i_ai_c2i_8i_2i:F-Mn-Na-O-S,64.0,"Invalid WP multiplicities - A4B3C5D16E4_aP32_2_2i_2a2i_c2i_8i_2i:F-Mn-Na-O-S, expected Na5Mn6S4(O4F)4 to be Na5Mn3S4(O4F)4" +mp-1196313,FeAs2H3OF13,-5.1300572546,-2.2419396824,0.0242640112,0.0242640112,GGA+U,Pnma,A2B13CD3E_oP80_62_2c_5c4d_a_cd_c:As-F-Fe-H-O,80.0,A2B13CD3E_oP80_62_2c_5c4d_a_cd_c:As-F-Fe-H-O +mp-1196296,Fe2AsSO14,-5.7742586054,-0.4970779027,0.7185362429000001,0.7185362429000001,GGA+U,P2_1/c,AB2C14D_mP72_14_e_2e_14e_e:As-Fe-O-S,72.0,AB2C14D_mP72_14_e_2e_14e_e:As-Fe-O-S +mp-1199640,Fe2AsH19SO18,-5.7932362577,-1.4215825418,0.0065653463,0.0065653463,GGA+U,P-1,AB2C19D18E_aP82_2_i_2i_19i_18i_i:As-Fe-H-O-S,82.0,AB2C19D18E_aP82_2_i_2i_19i_18i_i:As-Fe-H-O-S +mp-1224760,Fe2AsSO9,-6.9488367569000005,-1.5445437498,0.138614298,0.138614298,GGA+U,P1,AB2C9D_aP13_1_a_2a_9a_a:As-Fe-O-S,13.0,AB2C9D_aP13_1_a_2a_9a_a:As-Fe-O-S +mp-1189078,NaAlCO5,-6.845980205,-1.9672039335,0.2579906236,0.2579906236,GGA,Imma,ABCD5_oI32_74_a_e_c_ehi:Al-C-Na-O,16.0,ABCD5_oI32_74_a_e_c_ehi:Al-C-Na-O +mp-768146,Na2AlPCO7,-7.2466751442,-2.6083905279,0.0,-0.0092232852,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Al-C-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Al-C-Na-O-P, expected Na2AlPCO13 to be Na2AlPCO7" +mp-581114,Cs2YSi4O10F,-7.8289157695,-3.3101983219,0.0,-0.0534815154,GGA,Pnma,A2BC10D4E_oP144_62_4c_2c_4c8d_4d_d:Cs-F-O-Si-Y,144.0,"Invalid WP multiplicities - A2BC10D4E_oP144_62_11c_6c_16c60d_24d_d:Cs-F-O-Si-Y, expected Cs11Y2Si48(O68F3)2 to be Cs2YSi4O10F" +mp-16597,K3ErSi2O7,-7.1976617286,-3.0917869063,0.0,-0.0586335129,GGA,P6_3/mcm,AB3C7D2_hP78_193_ad_bck_gkl_k:Er-K-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_193_2ad_2bc2k_gkl_k:Er-K-O-Si, expected K16Er4(Si2O7)3 to be K3ErSi2O7" +mp-758527,K3ErSi3(HO5)2,-7.0970162493,-2.8640052523,0.0,-0.0229541623,GGA,Pnma,AB2C3D10E3_oP76_62_c_d_cd_2c4d_cd:Er-H-K-O-Si,76.0,"Invalid WP multiplicities - AB2C3D10E3_oP76_62_c_d_3c2d_8c13d_2c3d:Er-H-K-O-Si, expected K7ErSi8(HO17)2 to be K3ErSi3(HO5)2" +mp-541317,KTi3Si2P6O25,-8.1813091732,-2.9976728522,0.005306737,0.005306737,GGA,P-31c,AB25C6D2E3_hP74_163_c_b4i_i_e_df:K-O-P-Si-Ti,74.0,AB25C6D2E3_hP74_163_c_b4i_i_e_df:K-O-P-Si-Ti +mp-1211776,KTiSi3O11,-7.4318748536,-2.4509110488,0.2714483697,0.2714483697,GGA,P2_1/c,AB11C3D_mP64_14_e_11e_3e_e:K-O-Si-Ti,64.0,AB11C3D_mP64_14_e_11e_3e_e:K-O-Si-Ti +mp-1194354,K3Ti4Si3O20,-7.4286298743,-2.4245334336,0.3208553334,0.3208553334,GGA,P-43m,A3B20C3D4_cP30_215_c_2ei_d_e:K-O-Si-Ti,30.0,A3B20C3D4_cP30_215_c_2ei_d_e:K-O-Si-Ti +mp-1197256,K2TiSi3O10,-7.5405466158,-2.7993509212000003,0.1496578509,0.1496578509,GGA,P2_12_12_1,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Ti,64.0,A2B10C3D_oP64_19_2a_10a_3a_a:K-O-Si-Ti +mp-6810,K2Ti(SiO3)3,-7.8672729063,-3.1397767462,0.0058326107,-0.0213683878,GGA,P6_3/m,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Ti,30.0,A2B9C3D_hP30_176_f_hi_h_b:K-O-Si-Ti +mp-556719,K2Ti(SiO3)3,-7.873105517,-3.1456093569,0.0,-0.0272009985,GGA,R3,A2B9C3D_hR90_146_ab_6b_2b_2a:K-O-Si-Ti,30.0,"Invalid WP multiplicities - A2B9C3D_hR90_146_ab_14b_2b_2a:K-O-Si-Ti, expected K2Ti(SiO7)3 to be K2Ti(SiO3)3" +mp-6763,K2Ti(Si2O5)3,-8.0590108854,-3.1894888538,0.0021557717,0.0020290277,GGA,P-1,A2B15C6D_aP24_2_i_b7i_3i_e:K-O-Si-Ti,24.0,"Invalid WP multiplicities - A2B15C6D_aP24_2_i_b8i_3i_e:K-O-Si-Ti, expected K2TiSi6O17 to be K2Ti(Si2O5)3" +mp-557301,K2Ti(Si2O5)3,-8.0611666571,-3.1916446254,0.0,-0.000126744,GGA,P2_1,A2B15C6D_mP48_4_2a_15a_6a_a:K-O-Si-Ti,48.0,"Invalid WP multiplicities - A2B15C6D_mP48_4_3a_27a_10a_a:K-O-Si-Ti, expected K3TiSi10O27 to be K2Ti(Si2O5)3" +mp-17617,K2Ti(Si2O5)3,-8.0610666144,-3.1915445827,0.0001000427,-2.67013e-05,GGA,Cc,A2B15C6D_mC96_9_2a_15a_6a_a:K-O-Si-Ti,48.0,A2B15C6D_mC96_9_2a_15a_6a_a:K-O-Si-Ti +mp-560144,K2RuBr5NO,-4.583376632,-1.32902406,0.0,-0.0429715355,GGA,Pnma,A5B2CDE_oP40_62_3cd_d_c_c_c:Br-K-N-O-Ru,40.0,"Invalid WP multiplicities - A5B2CDE_oP40_62_10c5d_d_c_c_c:Br-K-N-O-Ru, expected K2RuBr20NO to be K2RuBr5NO" +mp-1203796,KRu(NO2)4,-6.8799748964,-0.9296684052,0.1135366968,0.1135366968,GGA,P2_1/c,AB4C8D_mP56_14_e_4e_8e_e:K-N-O-Ru,56.0,AB4C8D_mP56_14_e_4e_8e_e:K-N-O-Ru +mp-1197421,K2Ru(NO2)5,-6.7156214233,-1.0131457471,0.1374899378,0.1374899378,GGA,P2_1/c,A2B5C10D_mP72_14_2e_5e_10e_e:K-N-O-Ru,72.0,A2B5C10D_mP72_14_2e_5e_10e_e:K-N-O-Ru +mp-1097045,K2RuBr6,-3.6639455753,-1.3513488626,0.0,-0.0684340847,GGA,Pnma,A6B2C_oP36_62_4cd_d_c:Br-K-Ru,36.0,"Invalid WP multiplicities - A6B2C_oP36_62_11c5d_d_c:Br-K-Ru, expected K2RuBr21 to be K2RuBr6" +mp-1245750,KRuN,-5.9271557733,0.313276364,0.4989830549,0.4989830549,GGA,P4_2mc,ABC_tP6_105_a_c_b:K-N-Ru,6.0,ABC_tP6_105_a_c_b:K-N-Ru +mp-1245754,KRuN,-6.1823877833,0.058044354,0.2437510449,0.2437510449,GGA,R3m,ABC_hR9_160_a_a_a:K-N-Ru,3.0,ABC_hR9_160_a_a_a:K-N-Ru +mp-557385,K4Ru(NO2)6,-6.5664796652,-1.2145130386,0.0734003881,0.0734003881,GGA,R-3,A4B6C12D_hR69_148_2c_f_2f_a:K-N-O-Ru,23.0,"Invalid WP multiplicities - A4B6C12D_hR69_148_2c_f_7f_a:K-N-O-Ru, expected K4Ru(NO7)6 to be K4Ru(NO2)6" +mp-1029978,KRuN2,-6.825052285,-0.0606044507,0.2179555856,0.2179555856,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-Ru,64.0,AB2C_oP64_61_2c_4c_2c:K-N-Ru +mp-613733,K2PdN2(ClO2)2,-5.5844602591,-1.2610513755,0.0629182135,0.0629182135,GGA,P1,A2B2C2D4E_aP11_1_2a_2a_2a_4a_a:Cl-K-N-O-Pd,11.0,A2B2C2D4E_aP11_1_2a_2a_2a_4a_a:Cl-K-N-O-Pd +mp-655297,K2PdN2(ClO2)2,-5.55826226,-1.2348533765,0.0891162125,0.0891162125,GGA,P-1,A2B2C2D4E_aP11_2_i_i_i_2i_a:Cl-K-N-O-Pd,11.0,"Invalid WP multiplicities - A2B2C2D4E_aP11_2_i_i_i_3i_a:Cl-K-N-O-Pd, expected K2PdN2(ClO3)2 to be K2PdN2(ClO2)2" +mp-1180897,K2PdN2(ClO2)2,-5.5993063709,-1.2758974874,0.0480721016,0.0480721016,GGA,P-1,A2B2C2D4E_aP11_2_i_i_i_2i_a:Cl-K-N-O-Pd,11.0,"Invalid WP multiplicities - A2B2C2D4E_aP11_2_i_i_i_3i_a:Cl-K-N-O-Pd, expected K2PdN2(ClO3)2 to be K2PdN2(ClO2)2" +mp-1180963,K2PdN2(ClO2)2,-5.42528145,-1.1018725665,0.2220970225,0.2220970225,GGA,C2/m,A2B2C2D4E_mC22_12_i_g_h_j_a:Cl-K-N-O-Pd,11.0,A2B2C2D4E_mC22_12_i_g_h_j_a:Cl-K-N-O-Pd +mp-553936,K2Ag4Pd3(NO2)12,-6.2661336534,-0.7583750866000001,0.045746147,0.045746147,GGA,P2_1/c,A4B2C12D24E3_mP90_14_2e_e_6e_12e_ae:Ag-K-N-O-Pd,90.0,"Invalid WP multiplicities - A4B2C12D24E3_mP90_14_4e_e_20e_42e_2a2e:Ag-K-N-O-Pd, expected KAg4Pd3(N10O21)2 to be K2Ag4Pd3(NO2)12" +mp-1190630,KCuAg2(CN)4,-6.6852200408,0.0760599003,0.2695770042,0.2695770042,GGA,P2/c,A2B4CDE4_mP24_13_ae_2g_f_f_2g:Ag-C-Cu-K-N,24.0,A2B4CDE4_mP24_13_af_2g_e_e_2g:Ag-C-Cu-K-N +mp-1213300,CsTmP2O7,-7.787037683,-3.1666137023,0.0,-0.0282404405,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Tm,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cs-O-P-Tm +mp-541024,CsTmP4(H2O3)6,-6.451946711,-2.0970145675,0.0351460031,0.0351460031,GGA,C2/c,AB12C18D4E_mC144_15_e_6f_9f_2f_e:Cs-H-O-P-Tm,72.0,AB12C18D4E_mC144_15_e_6f_9f_2f_e:Cs-H-O-P-Tm +mp-1207081,CsTmH3,-3.379162214,-0.2692790279,0.3182037827,0.3182037827,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Cs-H-Tm,5.0,AB3C_cP5_221_a_c_b:Cs-H-Tm +mp-1025334,Cs2TmH4,-3.1299944771,-0.2960595704,0.1871715334,0.1871715334,GGA,I4/mmm,A2B4C_tI14_139_e_ce_a:Cs-H-Tm,7.0,A2B4C_tI14_139_e_ce_a:Cs-H-Tm +mp-557734,KIn(WO4)2,-7.9183333654,-2.1390122965,0.0622341413,0.0622341413,GGA+U,P-3c1,ABC8D2_hP24_165_b_a_dg_d:In-K-O-W,24.0,"Invalid WP multiplicities - ABC8D2_hP24_165_b_a_3d4g_d:In-K-O-W, expected KIn(WO15)2 to be KIn(WO4)2" +mp-1522151,KIn(WO3)2,-7.812551938,-1.8667043976,0.197088703,0.197088703,GGA+U,Fm-3m,ABC6D2_cF40_225_a_b_d_c:In-K-O-W,10.0,ABC6D2_cF40_225_a_b_d_c:In-K-O-W +mp-1522604,KHfInWO6,-8.181865449,-2.5361120285,0.1171630853,0.1171630853,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Hf-In-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Hf-In-K-O-W +mp-1522089,KIn(WO3)4,-8.406916695,-2.0149795766,0.1404697647,0.1404697647,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:In-K-O-W,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:In-K-O-W, expected KIn(W2O9)2 to be KIn(WO3)4" +mp-1048468,Ba2YW3O7,-8.5060268877,-2.0594397598,0.6010257735,0.6010257735,GGA+U,Pmmm,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-W-Y,13.0,A2B7C3D_oP13_47_k_aijl_cj_f:Ba-O-W-Y +mp-1517152,Eu2YWO6,-9.939453238,-2.9775795169,0.1243693203,0.1243693203,GGA+U,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Y,10.0,A2B6CD_cF40_225_c_e_a_b:Eu-O-W-Y +mp-1520469,BaEuYWO6,-9.24723756,-3.1191665249,4.6228000000000005e-05,4.6228000000000005e-05,GGA+U,P-1,ABC6DE_aP20_2_i_i_6i_ah_be:Ba-Eu-O-W-Y,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_i_i_12i_ah_be:Ba-Eu-O-W-Y, expected BaEuYWO12 to be BaEuYWO6" +mp-1520429,BaEuYWO6,-9.148832716,-3.0207616809,0.098451072,0.098451072,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-W-Y +mp-1048138,Ba2YW3O8,-8.6295447371,-2.2900932105000003,0.4135648999,0.4135648999,GGA+U,P4/mmm,A2B8C3D_tP14_123_h_egi_bg_c:Ba-O-W-Y,14.0,"Invalid WP multiplicities - A2B8C3D_tP14_123_h_2e2g2i_b2g_c:Ba-O-W-Y, expected Ba2YW5O16 to be Ba2YW3O8" +mp-1520624,Ba2YWO6,-8.4261442248,-3.1318758757,0.0,-0.0261415675,GGA+U,Pn-3,A2B6CD_cP40_201_ad_h_b_c:Ba-O-W-Y,40.0,A2B6CD_cP40_201_ad_h_b_c:Ba-O-W-Y +mp-1048425,BaYW4O7,-8.7044129308,-1.4086600114,0.9895275012,0.9895275012,GGA+U,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-W-Y,26.0,AB7C4D_hP26_186_b_a2c_ac_b:Ba-O-W-Y +mp-1228087,Ba3Y2WO9,-8.3309775613,-3.2530978495,0.0,-0.0153962802,GGA+U,Immm,A3B9CD2_oI60_71_fn_e3ln_g_abh:Ba-O-W-Y,30.0,"Invalid WP multiplicities - A3B9CD2_oI60_71_2f2n_2e12l2n_g_abh:Ba-O-W-Y, expected Ba6Y2WO30 to be Ba3Y2WO9" +mp-1017554,CdNi3N,-5.4555079840000005,-0.135549039,0.0,-0.087874624,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Cd-N-Ni,5.0,ABC3_cP5_221_a_b_c:Cd-N-Ni +mp-1206343,CdNi3C,-5.478348936,0.0200441225,0.0250396812,0.0250396812,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Cd-Ni,5.0,ABC3_cP5_221_b_a_c:C-Cd-Ni +mp-1227591,Cd2Ni2C8N12O,-6.5569242128,1.1318759725,1.2804875918,1.2804875918,GGA+U,Imm2,A8B2C12D2E_oI50_44_2e_c_2c2e_ab_a:C-Cd-N-Ni-O,25.0,"Invalid WP multiplicities - A8B2C12D2E_oI50_44_6e_c_3c6e_ab_a:C-Cd-N-Ni-O, expected Cd2Ni2C24N30O to be Cd2Ni2C8N12O" +mp-1517874,KLaNiWO6,-7.85835359,-2.4118730671,0.110722087,0.110722087,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Ni-O-W +mp-676527,Na4PH5Se3O16,-5.6901550862,-1.6452658545,0.0071189293,0.0071189293,GGA,P1,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-Na-O-P-Se,29.0,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-Na-O-P-Se +mp-1197129,Na2PH6(SeO)3,-4.720752333,-1.1379183377,0.0069949016,0.0069949016,GGA,P2_1/c,A6B2C3DE3_mP240_14_24e_8e_12e_4e_12e:H-Na-O-P-Se,240.0,A6B2C3DE3_mP240_14_24e_8e_12e_4e_12e:H-Na-O-P-Se +mp-1201971,SnC4N3O7,-7.3356866743,-0.6316507024,0.6751873036,0.6751873036,GGA,P-1,A4B3C7D_aP60_2_8i_6i_14i_2i:C-N-O-Sn,60.0,A4B3C7D_aP60_2_8i_6i_14i_2i:C-N-O-Sn +mp-1179459,Sn5C8Se10N2O,-5.364005825,0.422762504,0.9020687576,0.9020687576,GGA,I-4,A8B2CD10E5_tI52_82_2g_ac_b_e2g_dg:C-N-O-Se-Sn,26.0,A8B2CD10E5_tI52_82_2g_ac_b_e2g_dg:C-N-O-Se-Sn +mp-1179660,Sn2C6N2O17,-6.6976141062,-0.6176943060000001,1.0692266028,1.0692266028,GGA,Pnma,A6B2C17D2_oP108_62_2c2d_2c_5c6d_2c:C-N-O-Sn,108.0,A6B2C17D2_oP108_62_2c2d_2c_5c6d_2c:C-N-O-Sn +mp-1223429,KNaP6(PbO3)8,-6.962080219,-2.3787190962,0.0,-0.0092423354,GGA,P3,ABC24D6E8_hP40_143_a_b_8d_2d_ab2d:K-Na-O-P-Pb,40.0,ABC24D6E8_hP40_143_a_b_8d_2d_ab2d:K-Na-O-P-Pb +mp-667288,K2P4PbO12,-7.1718015809,-2.5956479217,0.0,-0.0006011653,GGA,Pbca,A2B12C4D_oP152_61_2c_12c_4c_c:K-O-P-Pb,152.0,"Invalid WP multiplicities - A2B12C4D_oP152_61_5c_89c_25c_c:K-O-P-Pb, expected K5P25PbO89 to be K2P4PbO12" +mp-761134,RbLiV(PO4)2,-7.4223400012,-2.6243801771,0.056342645,0.056342645,GGA+U,P2_1/c,AB8C2DE_mP52_14_e_8e_2e_e_e:Li-O-P-Rb-V,52.0,"Invalid WP multiplicities - AB8C2DE_mP52_14_e_31e_7e_e_e:Li-O-P-Rb-V, expected RbLiVP7O31 to be RbLiV(PO4)2" +mp-758914,RbLiVPO5,-7.1930705133,-2.5130583942,0.1281914434,0.1281914434,GGA+U,P2_12_12_1,AB5CDE_oP36_19_a_5a_a_a_a:Li-O-P-Rb-V,36.0,"Invalid WP multiplicities - AB5CDE_oP36_19_a_17a_a_a_a:Li-O-P-Rb-V, expected RbLiVPO17 to be RbLiVPO5" +mp-759578,Rb2LiV(PO4)2,-7.097127142,-2.5718405859,0.0916518043,0.0916518043,GGA+U,P2_12_12_1,AB8C2D2E_oP56_19_a_8a_2a_2a_a:Li-O-P-Rb-V,56.0,"Invalid WP multiplicities - AB8C2D2E_oP56_19_a_29a_5a_5a_a:Li-O-P-Rb-V, expected Rb5LiVP5O29 to be Rb2LiV(PO4)2" +mp-999490,NaDyS2,-5.6455264,-2.0949734332,0.0,-0.1518710138,GGA,R-3m,ABC2_hR12_166_a_b_c:Dy-Na-S,4.0,ABC2_hR12_166_a_b_c:Dy-Na-S +mp-1196991,DyHSO5,-7.1546263061,-2.5459505176,0.0,-0.001133057,GGA,P2_1/c,ABC5D_mP64_14_2e_2e_10e_2e:Dy-H-O-S,64.0,ABC5D_mP64_14_2e_2e_10e_2e:Dy-H-O-S +mp-1199848,Dy2H4(SO4)3,-6.7378657317,-2.2352899224,0.0269116787,0.0269116787,GGA,C2/c,A2B4C12D3_mC84_15_f_2f_6f_ef:Dy-H-O-S,42.0,A2B4C12D3_mC84_15_f_2f_6f_ef:Dy-H-O-S +mp-1195286,NaDyH2S2O9,-6.6405150044,-2.2733241805,0.0084481714,0.0084481714,GGA,P3_121,AB2CD9E2_hP45_152_a_c_b_a4c_c:Dy-H-Na-O-S,45.0,AB2CD9E2_hP45_152_a_c_b_a4c_c:Dy-H-Na-O-S +mp-850292,Dy2H16S3O20,-6.0960795722,-1.8316816643,0.0231856741,0.0231856741,GGA,C2/c,A2B16C20D3_mC164_15_f_8f_10f_ef:Dy-H-O-S,82.0,"Invalid WP multiplicities - A2B16C20D3_mC164_15_f_29f_37f_ef:Dy-H-O-S, expected Dy2H58S3O74 to be Dy2H16S3O20" +mp-677061,Cs3MoC6(SN2)3,-6.8157088226,0.0965106159,0.6028370554,0.6028370554,GGA,P-6m2,A6B3CD6E3_hP19_187_n_j_a_n_k:C-Cs-Mo-N-S,19.0,A6B3CD6E3_hP19_187_n_j_a_n_k:C-Cs-Mo-N-S +mp-1147716,CsMoC6,-7.48055721,0.9085734696,0.9637984285,0.9637984285,GGA,Pm-3m,A6BC_cP8_221_e_b_a:C-Cs-Mo,8.0,A6BC_cP8_221_e_b_a:C-Cs-Mo +mp-1204004,Zn2P2O11F2,-5.6079325074,-1.3971898019,0.3800894862,0.3800894862,GGA,P-1,A2B11C2D2_aP34_2_2i_11i_2i_bei:F-O-P-Zn,34.0,A2B11C2D2_aP34_2_2i_11i_2i_bei:F-O-P-Zn +mp-1214374,Bi5P3O12F,-6.5988057626,-1.9933725877,0.2593199562,0.2593199562,GGA,P6_3,A5BC12D3_hP42_173_2bc_a_4c_c:Bi-F-O-P,42.0,A5BC12D3_hP42_173_2bc_a_4c_c:Bi-F-O-P +mp-561255,ZnBi6P2(O7F)2,-6.4405037172,-2.1122683854,0.0700940861,0.0700940861,GGA,C2/c,A6B2C14D2E_mC100_15_3f_f_2e6f_f_a:Bi-F-O-P-Zn,50.0,"Invalid WP multiplicities - A6B2C14D2E_mC100_15_6f_f_4e23f_f_a:Bi-F-O-P-Zn, expected ZnBi12P2(O25F)2 to be ZnBi6P2(O7F)2" +mp-1205442,ZnBi6P2(O7F)2,-6.427965592,-2.0997302602,0.0826322113,0.0826322113,GGA,C2/c,A6B2C14D2E_mC100_15_3f_f_2e6f_f_a:Bi-F-O-P-Zn,50.0,A6B2C14D2E_mC100_15_3f_f_2e6f_f_a:Bi-F-O-P-Zn +mp-1198360,NdH6(CO3)3,-6.8864169589,-1.7637486126000002,0.0286962986,0.0286962986,GGA,P-1,A3B6CD9_aP38_2_3i_6i_i_9i:C-H-Nd-O,38.0,A3B6CD9_aP38_2_3i_6i_i_9i:C-H-Nd-O +mp-23837,NdH3(CO2)3,-7.3187815846,-1.756285099,0.1132484682,0.1132484682,GGA,R3m,A3B3CD6_hR39_160_b_b_a_2b:C-H-Nd-O,13.0,"Invalid WP multiplicities - A3B3CD6_hR39_160_b_b_a_4b:C-H-Nd-O, expected NdH3(CO4)3 to be NdH3(CO2)3" +mp-24124,NdH2ClO2,-6.2846764308,-2.40209083,0.0,-0.0252512404,GGA,P2_1/m,AB2CD2_mP12_11_e_2e_e_2e:Cl-H-Nd-O,12.0,AB2CD2_mP12_11_e_2e_e_2e:Cl-H-Nd-O +mp-1210672,Nd2H13(CO)12,-6.0597927522,-0.3227162421,1.0139592713,1.0139592713,GGA,Pc,A12B13C2D12_mP78_7_12a_13a_2a_12a:C-H-Nd-O,78.0,A12B13C2D12_mP78_7_12a_13a_2a_12a:C-H-Nd-O +mp-1221174,Nd2H13Cl3O20,-5.4464637262,-1.2853816826,0.0430488444,0.0430488444,GGA,Cc,A3B13C2D20_mC152_9_3a_13a_2a_20a:Cl-H-Nd-O,,"Invalid WP multiplicities - A3B13C2D20_mC152_9_4a_19a_3a_30a:Cl-H-Nd-O, expected Nd3H19(Cl2O15)2 to be Nd2H13Cl3O20" +mp-698317,NdH4C3O8,-7.191256079,-1.8413462177,0.0467969854,0.0467969854,GGA,P2_12_12_1,A3B4CD8_oP128_19_6a_8a_2a_16a:C-H-Nd-O,128.0,A3B4CD8_oP128_19_6a_8a_2a_16a:C-H-Nd-O +mp-1199933,NdH12(ClO2)3,-5.2243771111,-1.555895192,0.0,-0.0073158391,GGA,P2/c,A3B12CD6_mP44_13_eg_6g_f_3g:Cl-H-Nd-O,44.0,A3B12CD6_mP44_13_eg_6g_f_3g:Cl-H-Nd-O +mp-1220134,NdHCO4,-7.85407889,-2.5431797736,0.0,-0.1323159879,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:C-H-Nd-O,28.0,ABCD4_oP28_19_a_a_a_4a:C-H-Nd-O +mp-1197929,NdH2C2Cl2O9,-6.2829045175000005,-1.3936418782,0.277316967,0.277316967,GGA,P2_1/c,A2B2C2DE9_mP64_14_2e_2e_2e_e_9e:C-Cl-H-Nd-O,64.0,A2B2C2DE9_mP64_14_2e_2e_2e_e_9e:C-Cl-H-Nd-O +mp-1225960,CsMnH5(SO5)2,-6.2296276842000005,-1.7685311192,0.0123472918,0.0123472918,GGA+U,P1,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Cs-H-Mn-O-S,19.0,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Cs-H-Mn-O-S +mp-729644,CsMnH24(SO10)2,-5.6007457642,-1.4613808329,0.0088195586,0.0088195586,GGA+U,Pbca,AB24CD20E2_oP192_61_a_12c_b_10c_c:Cs-H-Mn-O-S,192.0,AB24CD20E2_oP192_61_a_12c_b_10c_c:Cs-H-Mn-O-S +mp-746676,CsMnH24(SO10)2,-5.5927086679,-1.4533437366,0.0168566549,0.0168566549,GGA+U,Pa-3,AB24CD20E2_cP192_205_a_4d_b_c3d_c:Cs-H-Mn-O-S,192.0,AB24CD20E2_cP192_205_a_4d_b_c3d_c:Cs-H-Mn-O-S +mp-1197828,Cs2MnH12(SO7)2,-5.8250993666,-1.6576130999,0.0,-0.0021531407,GGA+U,P2_1/c,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mn-O-S,62.0,A2B12CD14E2_mP62_14_e_6e_a_7e_e:Cs-H-Mn-O-S +mp-690824,SrH6C4O7,-6.5729109558,-1.3736146963,0.1651565337,0.1651565337,GGA,C2/c,A4B6C7D_mC72_15_2f_3f_e3f_e:C-H-O-Sr,36.0,A4B6C7D_mC72_15_2f_3f_e3f_e:C-H-O-Sr +mp-600520,SrCuH4(CO2)4,-6.0935903728,-0.7687139304,0.8514389515,0.8514389515,GGA,P2/c,A4BC4D8E_mP36_13_2g_e_2g_4g_f:C-Cu-H-O-Sr,36.0,"Invalid WP multiplicities - A4BC4D8E_mP36_13_5g_e_6g_12g_f:C-Cu-H-O-Sr, expected SrCuH12(C5O12)2 to be SrCuH4(CO2)4" +mp-1179202,SrCuH4(CO2)4,-5.5119100408,-0.1870335984,1.4331192834,1.4331192834,GGA,P2/c,A4BC4D8E_mP36_13_2g_e_2g_4g_f:C-Cu-H-O-Sr,36.0,A4BC4D8E_mP36_13_2g_e_2g_4g_f:C-Cu-H-O-Sr +mp-1205438,SrCuH4(CO2)4,-6.7749418864,-1.450065444,0.1700874378,0.1700874378,GGA,P2/c,A4BC4D8E_mP36_13_2g_e_2g_4g_f:C-Cu-H-O-Sr,36.0,A4BC4D8E_mP36_13_2g_e_2g_4g_f:C-Cu-H-O-Sr +mp-736390,SrH3C3O7,-7.0971163462,-1.7985099859,0.052340935,0.052340935,GGA,P2_1/c,A3B3C7D_mP56_14_3e_3e_7e_e:C-H-O-Sr,56.0,A3B3C7D_mP56_14_3e_3e_7e_e:C-H-O-Sr +mp-655027,SrH6(CO3)2,-5.8213471245,-1.1424595928,0.52703149,0.52703149,GGA,P2_12_12_1,A2B6C6D_oP60_19_2a_6a_6a_a:C-H-O-Sr,60.0,"Invalid WP multiplicities - A2B6C6D_oP60_19_4a_20a_20a_a:C-H-O-Sr, expected SrH20(CO5)4 to be SrH6(CO3)2" +mp-601265,SrH6(CO3)2,-5.794372665,-1.1154851333,0.5540059495,0.5540059495,GGA,P2_12_12_1,A2B6C6D_oP60_19_2a_6a_6a_a:C-H-O-Sr,60.0,"Invalid WP multiplicities - A2B6C6D_oP60_19_4a_20a_20a_a:C-H-O-Sr, expected SrH20(CO5)4 to be SrH6(CO3)2" +mp-1179412,SrH6(CO3)2,-5.868614423,-1.1897268913,0.4797641915,0.4797641915,GGA,P2_12_12_1,A2B6C6D_oP60_19_2a_6a_6a_a:C-H-O-Sr,60.0,"Invalid WP multiplicities - A2B6C6D_oP60_19_4a_20a_20a_a:C-H-O-Sr, expected SrH20(CO5)4 to be SrH6(CO3)2" +mp-1237207,SrH6(CO3)2,-6.2660494307,-1.5871618989,0.0823291838,0.0823291838,GGA,P2_12_12_1,A2B6C6D_oP60_19_2a_6a_6a_a:C-H-O-Sr,60.0,A2B6C6D_oP60_19_2a_6a_6a_a:C-H-O-Sr +mp-1197098,SrH2(CO2)2,-6.9744409219,-1.783437436,0.1443450217,0.1443450217,GGA,P4_12_12,A2B2C4D_tP36_92_b_b_2b_a:C-H-O-Sr,36.0,A2B2C4D_tP36_92_b_b_2b_a:C-H-O-Sr +mp-1017159,RbMg6C,-2.1094658337,0.3668941494,0.3818004763,0.3818004763,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Rb, expected RbMg12C to be RbMg6C" +mp-1098289,RbMg6C,-2.0942774263,0.3820825569,0.3969888838,0.3969888838,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Rb +mp-1100162,RbMg6C,-2.0417113875,0.4346485956,0.4495549225,0.4495549225,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Rb,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Rb +mp-1034162,RbMg14CO16,-6.0175559322,-2.5250515683,0.3906971213,0.3906971213,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Rb, expected RbMg18CO20 to be RbMg14CO16" +mp-1034077,RbMg14CO16,-5.9596597119,-2.467155348,0.4485933417,0.4485933417,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Rb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Rb, expected RbMg30CO32 to be RbMg14CO16" +mp-24606,Rb2MgH8(CO5)2,-6.0542101122,-1.7660633882,0.0,-0.0153221066,GGA,P2_1/c,A2B8CD10E2_mP46_14_e_4e_a_5e_e:C-H-Mg-O-Rb,46.0,"Invalid WP multiplicities - A2B8CD10E2_mP46_14_e_7e_a_12e_e:C-H-Mg-O-Rb, expected Rb2MgH14(CO12)2 to be Rb2MgH8(CO5)2" +mp-1033559,RbMg6CO8,-5.5747220231,-1.8631976759,0.9142594039,0.9142594039,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Rb, expected RbMg6CO12 to be RbMg6CO8" +mp-1033565,RbMg6CO8,-5.5974372112,-1.8859128641,0.8915442158,0.8915442158,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Rb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Rb, expected RbMg6CO12 to be RbMg6CO8" +mp-1026737,RbMg14C,-1.70846886,0.3298511566,0.3434238279,0.3434238279,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Rb, expected RbMg18C to be RbMg14C" +mp-1026629,RbMg14C,-1.6092873325,0.4290326841,0.4426053554,0.4426053554,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Rb, expected RbMg26C to be RbMg14C" +mp-1039667,RbMg30CO32,-6.1647385572,-2.7817441849,0.2031503096,0.2031503096,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Rb, expected RbMg90CO80 to be RbMg30CO32" +mp-1039636,RbMg30CO32,-6.1437985764,-2.7608042041000003,0.2240902904,0.2240902904,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Rb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Rb, expected RbMg110CO72 to be RbMg30CO32" +mp-1201718,K4Mo5H4Se2O23,-6.9190193426,-1.8399031892,0.0105238968,0.0105238968,GGA+U,C2,A4B4C5D23E2_mC152_5_4c_4c_ab4c_ab22c_2c:H-K-Mo-O-Se,76.0,A4B4C5D23E2_mC152_5_4c_4c_ab4c_ab22c_2c:H-K-Mo-O-Se +mp-695087,K3Nb4Mo4(PO4)12,-7.3592246027,-1.8730315652,0.8452691291000001,0.8452691291000001,GGA+U,P1,A3B4C4D48E12_aP71_1_3a_4a_4a_48a_12a:K-Mo-Nb-O-P,71.0,A3B4C4D48E12_aP71_1_3a_4a_4a_48a_12a:K-Mo-Nb-O-P +mp-1224474,K3Nb4Mo4(PO4)12,-8.166240502,-2.6800474645,0.0382532298,0.0382532298,GGA+U,Pm,A3B4C4D48E12_mP71_6_2ab_2c_2c_4a4b20c_6c:K-Mo-Nb-O-P,71.0,"Invalid WP multiplicities - A3B4C4D48E12_mP71_6_2ab_4c_4c_4a4b40c_11c:K-Mo-Nb-O-P, expected K3Nb8Mo8(PO4)22 to be K3Nb4Mo4(PO4)12" +mp-768991,Li4Bi2C4SO16,-6.9686797154,-1.9496130138,0.0756186781,0.0756186781,GGA,Fddd,A2B4C4D16E_oF216_70_c_h_ef_4h_b:Bi-C-Li-O-S,54.0,"Invalid WP multiplicities - A2B4C4D16E_oF216_70_c_h_2e3f_21h_b:Bi-C-Li-O-S, expected Li10Bi2C4SO84 to be Li4Bi2C4SO16" +mp-770759,LiBiCSO7,-6.7972750132,-1.9116978918,0.0635133537,0.0635133537,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:Bi-C-Li-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:Bi-C-Li-O-S, expected LiBiCSO13 to be LiBiCSO7" +mp-556016,FeCuC5N6O,-7.65565354,0.4642188603,0.7073472565000001,0.7073472565000001,GGA+U,I4mm,A5BCD6E_tI28_107_ac_a_a_2ac_a:C-Cu-Fe-N-O,14.0,"Invalid WP multiplicities - A5BCD6E_tI28_107_ac_a_a_2a3c_a:C-Cu-Fe-N-O, expected FeCuC5N14O to be FeCuC5N6O" +mp-2232585,K4MgMo2(SO3)2,-6.2377937473,-1.8587132101,0.1754081598,0.1754081598,GGA+U,P1,A4BC2D6E2_aP15_1_4a_a_2a_6a_2a:K-Mg-Mo-O-S,15.0,A4BC2D6E2_aP15_1_4a_a_2a_6a_2a:K-Mg-Mo-O-S +mp-2232272,K4MgMo2(SO3)2,-6.180448708,-1.8013681707,0.2327531991,0.2327531991,GGA+U,C2,A4BC2D6E2_mC30_5_2c_a_c_3c_c:K-Mg-Mo-O-S,15.0,"Invalid WP multiplicities - A4BC2D6E2_mC30_5_2c_a_c_4c_c:K-Mg-Mo-O-S, expected K4MgMo2(SO4)2 to be K4MgMo2(SO3)2" +mp-2232130,K4MgMo2(SO3)2,-6.1712328167,-1.7921522794,0.2419690904,0.2419690904,GGA+U,Cm,A4BC2D6E2_mC30_8_4a_a_2a_2a2b_2a:K-Mg-Mo-O-S,,A4BC2D6E2_mC30_8_4a_a_2a_2a2b_2a:K-Mg-Mo-O-S +mp-24298,P2H4PbO4,-5.7634147995,-1.4091501533000002,0.0,-0.0171332144,GGA,C2/c,A4B4C2D_mC44_15_2f_2f_f_e:H-O-P-Pb,22.0,"Invalid WP multiplicities - A4B4C2D_mC44_15_2f_3f_f_e:H-O-P-Pb, expected P2H4PbO6 to be P2H4PbO4" +mp-1220034,PHPbO4,-6.7931726107,-2.1781111155,0.0,-0.0031408455,GGA,Pc,AB4CD_mP14_7_a_4a_a_a:H-O-P-Pb,14.0,"Invalid WP multiplicities - AB4CD_mP14_7_a_6a_a_a:H-O-P-Pb, expected PHPbO6 to be PHPbO4" +mp-1209774,PHPbO4,-6.7925577079,-2.1774962126,0.0006149029,-0.0025259427,GGA,P2/c,AB4CD_mP14_13_a_2g_e_f:H-O-P-Pb,14.0,AB4CD_mP14_13_a_2g_f_e:H-O-P-Pb +mp-735828,P2H4PbO8,-4.885214438,-0.3729700411,1.6466057817,1.6466057817,GGA,P-1,A4B8C2D_aP30_2_4i_8i_2i_i:H-O-P-Pb,30.0,A4B8C2D_aP30_2_4i_8i_2i_i:H-O-P-Pb +mp-733929,P2H4PbO8,-6.4823772393,-1.9701328424,0.0494429803,0.0494429803,GGA,P-1,A4B8C2D_aP30_2_4i_8i_2i_i:H-O-P-Pb,30.0,A4B8C2D_aP30_2_4i_8i_2i_i:H-O-P-Pb +mp-1196132,Mn3P4H2(PbO8)2,-7.6399490694,-2.362281606,0.0,-0.0027158323,GGA+U,P2_1/c,A2B3C16D4E2_mP54_14_e_ae_8e_2e_e:H-Mn-O-P-Pb,54.0,A2B3C16D4E2_mP54_14_e_ae_8e_2e_e:H-Mn-O-P-Pb +mp-1190417,YV(SeO4)2,-7.3337536396,-2.1574444872,0.0160876013,0.0160876013,GGA+U,Aem2,A8B2CD_oC48_39_a3c2d_2c_a_b:O-Se-V-Y,24.0,A8B2CD_oC48_39_a3c2d_2c_a_b:O-Se-V-Y +mp-1048592,YV3Se2ClO8,-7.4623910813,-1.9869205061,0.3770062575,0.3770062575,GGA+U,P2_1/m,AB8C2D3E_mP30_11_e_4e2f_2e_ace_e:Cl-O-Se-V-Y,30.0,"Invalid WP multiplicities - AB8C2D3E_mP30_11_e_7e7f_2e_2a2ce_e:Cl-O-Se-V-Y, expected YV5Se2ClO21 to be YV3Se2ClO8" +mp-1040887,MgV2(PO4)2,-8.0634953163,-2.6659409399,0.0697789086,0.0697789086,GGA+U,C2/c,AB8C2D2_mC104_15_f_8f_2f_cef:Mg-O-P-V,52.0,"Invalid WP multiplicities - AB8C2D2_mC104_15_f_30f_6f_2ce2f:Mg-O-P-V, expected Mg2V7(PO5)12 to be MgV2(PO4)2" +mp-1233209,MgV4(PO5)4,-8.0478618693,-2.5815553665,0.0303831102,0.0303831102,GGA+U,P1,AB20C4D4_aP29_1_a_20a_4a_4a:Mg-O-P-V,29.0,AB20C4D4_aP29_1_a_20a_4a_4a:Mg-O-P-V +mp-1233511,MgV4(PO5)4,-8.0537010262,-2.5873945234,0.0245439533,0.0245439533,GGA+U,P1,AB20C4D4_aP29_1_a_20a_4a_4a:Mg-O-P-V,29.0,AB20C4D4_aP29_1_a_20a_4a_4a:Mg-O-P-V +mp-1233704,MgV4(PO5)4,-8.0309707848,-2.564664282,0.0472741947,0.0472741947,GGA+U,P-1,AB20C4D4_aP29_2_c_10i_2i_bei:Mg-O-P-V,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_a_20i_2i_cd2i:Mg-O-P-V, expected MgV6(PO10)4 to be MgV4(PO5)4" +mp-1234347,MgV4(PO5)4,-8.0382183086,-2.5719118058,0.0400266709,0.0400266709,GGA+U,P-1,AB20C4D4_aP29_2_a_10i_2i_cfi:Mg-O-P-V,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_a_20i_2i_cd2i:Mg-O-P-V, expected MgV6(PO10)4 to be MgV4(PO5)4" +mp-2216240,MgV4(PO5)4,-7.9758195086,-2.5095130058,0.1024254709,0.1024254709,GGA+U,P-1,AB20C4D4_aP29_2_d_10i_2i_bci:Mg-O-P-V,29.0,"Invalid WP multiplicities - AB20C4D4_aP29_2_f_20i_2i_ac2i:Mg-O-P-V, expected MgV6(PO10)4 to be MgV4(PO5)4" +mp-15866,SrV3P4O17,-8.1278438417,-2.7403186504,0.0015119195,0.0015119195,GGA+U,P2_12_12_1,A17B4CD3_oP100_19_17a_4a_a_3a:O-P-Sr-V,100.0,"Invalid WP multiplicities - A17B4CD3_oP100_19_19a_4a_a_3a:O-P-Sr-V, expected SrV3P4O19 to be SrV3P4O17" +mp-2234205,MgV8(PO4)12,-8.0568810977,-2.5978634625,0.023472338,0.023472338,GGA+U,P1,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V,69.0,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V +mp-2235195,MgV8(PO4)12,-8.0651088855,-2.6060912503,0.0152445502,0.0152445502,GGA+U,P1,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V,69.0,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V +mp-2234182,MgV8(PO4)12,-8.0623354638,-2.6033178286,0.018017972,0.018017972,GGA+U,P1,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V,69.0,AB48C12D8_aP69_1_a_48a_12a_8a:Mg-O-P-V +mp-1041461,MgV3P3O13,-8.1811825682,-2.7112396169,0.0557270209,0.0557270209,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Mg-O-P-V,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Mg-O-P-V, expected MgV5P3O34 to be MgV3P3O13" +mp-2230102,MgV4P2O13,-8.199306527,-2.5458333975,0.1559856669,0.1559856669,GGA+U,P1,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V,20.0,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V +mp-2230109,MgV4P2O13,-8.164162469,-2.5106893395,0.1911297249,0.1911297249,GGA+U,P1,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V,20.0,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V +mp-2230148,MgV4P2O13,-8.225777894,-2.5723047645,0.1295142999,0.1295142999,GGA+U,P1,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V,20.0,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V +mp-2230164,MgV4P2O13,-8.2593110425,-2.605837913,0.0959811514,0.0959811514,GGA+U,P1,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V,20.0,AB13C2D4_aP20_1_a_13a_2a_4a:Mg-O-P-V +mp-2232216,MgV2(PO5)2,-8.043623002,-2.7061840476,0.009325044,0.009325044,GGA+U,P1,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-V,15.0,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-V +mp-2232122,MgV2(PO5)2,-7.9142465767,-2.5768076223,0.1387014693,0.1387014693,GGA+U,P1,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-V,15.0,AB10C2D2_aP15_1_a_10a_2a_2a:Mg-O-P-V +mp-2232100,MgV2(PO5)2,-7.974247936,-2.6368089816,0.07870011,0.07870011,GGA+U,P-1,AB10C2D2_aP15_2_a_5i_i_i:Mg-O-P-V,15.0,"Invalid WP multiplicities - AB10C2D2_aP15_2_a_9i_i_i:Mg-O-P-V, expected MgV2(PO9)2 to be MgV2(PO5)2" +mp-2232173,MgV2(PO5)2,-8.0371210533,-2.6996820989,0.0158269927,0.0158269927,GGA+U,P-1,AB10C2D2_aP15_2_a_5i_i_i:Mg-O-P-V,15.0,AB10C2D2_mC30_12_a_3ij_i_i:Mg-O-P-V +mp-2232310,MgV2(PO5)2,-8.0117248753,-2.6742859209,0.0412231707,0.0412231707,GGA+U,C2,AB10C2D2_mC30_5_a_5c_c_c:Mg-O-P-V,15.0,"Invalid WP multiplicities - AB10C2D2_mC30_5_a_6c_c_c:Mg-O-P-V, expected MgV2(PO6)2 to be MgV2(PO5)2" +mp-2232239,MgV2(PO5)2,-8.0372098353,-2.6997708809,0.0157382107,0.0157382107,GGA+U,C2/m,AB10C2D2_mC30_12_a_3ij_i_i:Mg-O-P-V,15.0,AB10C2D2_mC30_12_a_3ij_i_i:Mg-O-P-V +mp-2232315,MgV2(PO5)2,-8.0368344253,-2.6993954709,0.0161136207,0.0161136207,GGA+U,C2/m,AB10C2D2_mC30_12_a_i2j_h_i:Mg-O-P-V,15.0,"Invalid WP multiplicities - AB10C2D2_mC30_12_a_2i5j_h_i:Mg-O-P-V, expected MgV2(PO12)2 to be MgV2(PO5)2" +mp-1043800,MgV2(PO5)2,-7.997367946,-2.6599289916,0.0555801,0.0555801,GGA+U,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Mg-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_14b_b_b:Mg-O-P-V, expected MgV2(PO14)2 to be MgV2(PO5)2" +mp-2232199,MgV2(PO5)2,-7.925143062,-2.5877041076,0.127804984,0.127804984,GGA+U,P-4,AB10C2D2_tP15_81_b_g2h_ac_g:Mg-O-P-V,15.0,"Invalid WP multiplicities - AB10C2D2_tP15_81_b_g3h_ac_g:Mg-O-P-V, expected MgV2(PO7)2 to be MgV2(PO5)2" +mp-2232138,MgV2(PO5)2,-7.9238662427,-2.5864272883,0.1290818033,0.1290818033,GGA+U,P-4,AB10C2D2_tP15_81_b_g2h_ac_g:Mg-O-P-V,15.0,"Invalid WP multiplicities - AB10C2D2_tP15_81_b_2g6h_ac_g:Mg-O-P-V, expected MgV2(PO14)2 to be MgV2(PO5)2" +mp-1392236,MgVPO5,-7.7498703319,-2.646003809,0.2185557236,0.2185557236,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Mg-O-P-V,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Mg-O-P-V +mp-1273519,MgVPO5,-7.9315114222,-2.8276448993,0.0369146333,0.0369146333,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_ab:Mg-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_2a2b:Mg-O-P-V, expected MgV2PO9 to be MgVPO5" +mp-1232300,Mg2VP3O11,-7.7028419507,-2.8241390382,0.0619718004,0.0619718004,GGA+U,P2_1/c,A2B11C3D_mP68_14_2e_11e_3e_e:Mg-O-P-V,68.0,A2B11C3D_mP68_14_2e_11e_3e_e:Mg-O-P-V +mp-1218530,Sr2VP2O9,-7.9182574925,-3.0747077503,0.0010059827,0.0010059827,GGA+U,Cc,A9B2C2D_mC56_9_9a_2a_2a_a:O-P-Sr-V,28.0,"Invalid WP multiplicities - A9B2C2D_mC56_9_13a_2a_2a_a:O-P-Sr-V, expected Sr2VP2O13 to be Sr2VP2O9" +mp-505345,SrV2(P2O7)2,-8.1233162329,-2.8488325387,0.0,-0.0213760853,GGA+U,P-1,A14B4CD2_aP21_2_7i_2i_a_be:O-P-Sr-V,21.0,"Invalid WP multiplicities - A14B4CD2_aP21_2_8i_2i_a_be:O-P-Sr-V, expected SrV2(PO4)4 to be SrV2(P2O7)2" +mp-2217609,MgVP2O7,-7.7707704791,-2.6673511962000003,0.1340083294,0.1340083294,GGA+U,P1,AB7C2D_aP11_1_a_7a_2a_a:Mg-O-P-V,11.0,AB7C2D_aP11_1_a_7a_2a_a:Mg-O-P-V +mp-1344566,MgVP2O7,-7.858838655,-2.7554193721,0.0459401535,0.0459401535,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-V,44.0,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-V +mp-1042040,MgVP2O7,-7.8837751318,-2.7803558489,0.0210036767,0.0210036767,GGA+U,P-1,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-V,44.0,AB7C2D_aP22_2_i_7i_2i_i:Mg-O-P-V +mp-2217702,MgVP2O7,-7.8781738309,-2.774754548,0.0266049776,0.0266049776,GGA+U,C2,AB7C2D_mC22_5_a_b3c_c_a:Mg-O-P-V,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_b6c_c_a:Mg-O-P-V, expected MgVP2O13 to be MgVP2O7" +mp-2217771,MgVP2O7,-7.7708448064,-2.6674255234,0.1339340022,0.1339340022,GGA+U,C2,AB7C2D_mC22_5_a_a3c_c_b:Mg-O-P-V,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_a6c_c_b:Mg-O-P-V, expected MgVP2O13 to be MgVP2O7" +mp-2217313,MgVP2O7,-7.6535785145,-2.5501592316,0.251200294,0.251200294,GGA+U,C2,AB7C2D_mC22_5_a_b3c_c_a:Mg-O-P-V,11.0,"Invalid WP multiplicities - AB7C2D_mC22_5_a_b6c_c_a:Mg-O-P-V, expected MgVP2O13 to be MgVP2O7" +mp-1048245,MgVP2O7,-7.8943996455,-2.7909803625,0.0103791631,0.0103791631,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mg-O-P-V,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_23e_7e_e:Mg-O-P-V, expected MgVP7O23 to be MgVP2O7" +mp-727920,Sr2V(PO4)3,-7.7598565778,-2.867464076,0.0838364964,0.0838364964,GGA+U,C2/c,A12B3C2D_mC72_15_6f_ef_f_a:O-P-Sr-V,36.0,A12B3C2D_mC72_15_6f_ef_f_c:O-P-Sr-V +mp-21614,SrV2P2O9,-8.2792788348,-2.9075567628,0.0,-0.0248413192,GGA+U,Pnma,A9B2CD2_oP56_62_5c2d_2c_c_ac:O-P-Sr-V,56.0,"Invalid WP multiplicities - A9B2CD2_oP56_62_7c2d_2c_c_3a2c:O-P-Sr-V, expected SrV5P2O11 to be SrV2P2O9" +mp-1046421,SrV(PO4)2,-7.9179900477,-2.8201971955,0.0732023831,0.0732023831,GGA+U,P-1,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-V,48.0,A8B2CD_aP24_2_8i_2i_i_i:O-P-Sr-V +mp-17502,SrVPO6,-7.9721816672,-2.8758667453,0.0,-0.006637036,GGA+U,P2_1/c,A6BCD_mP36_14_6e_e_e_e:O-P-Sr-V,36.0,A6BCD_mP36_14_6e_e_e_e:O-P-Sr-V +mp-723593,SrV2(PO5)2,-8.129996407,-2.7866098924,0.0302211567,0.0240085097,GGA+U,P1,A10B2CD2_aP30_1_20a_4a_2a_4a:O-P-Sr-V,30.0,"Invalid WP multiplicities - A10B2CD2_mC60_5_19c_4c_ab_4c:O-P-Sr-V, expected SrV4P4O19 to be SrV2(PO5)2" +mp-559580,SrV2(PO5)2,-8.1602175637,-2.8168310491,0.0,-0.006212647,GGA+U,Fdd2,A10B2CD2_oF120_43_5b_b_a_b:O-P-Sr-V,30.0,"Invalid WP multiplicities - A10B2CD2_oF120_43_16b_b_a_b:O-P-Sr-V, expected SrV2(PO16)2 to be SrV2(PO5)2" +mp-1046410,SrMgV(PO4)2,-7.8016018131,-2.9728484072,0.0260189631,0.0260189631,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mg-O-P-Sr-V,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Mg-O-P-Sr-V, expected SrMgV(PO7)2 to be SrMgV(PO4)2" +mp-1375395,SrMgV(PO4)2,-4.31166934,0.5170840659,3.5159514362,3.5159514362,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mg-O-P-Sr-V,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Mg-O-P-Sr-V, expected SrMgV(PO7)2 to be SrMgV(PO4)2" +mp-1045828,MgV(PO3)4,-7.823558295,-2.7292438127,0.0048011488,0.0048011488,GGA+U,C2/c,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-V,36.0,AB12C4D_mC72_15_e_6f_2f_c:Mg-O-P-V +mp-1043428,MgV3(P2O7)2,-8.0791941298,-2.6356100278,0.0731358057,0.0731358057,GGA+U,P2_1/c,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-V,44.0,AB14C4D3_mP44_14_a_7e_2e_be:Mg-O-P-V +mp-1232134,Mg3V4(PO4)6,-8.0256427276,-2.8273506049,0.0025725892,0.0025725892,GGA+U,P-1,A3B24C6D4_aP37_2_ai_12i_3i_2i:Mg-O-P-V,37.0,A3B24C6D4_aP37_2_ai_12i_3i_2i:Mg-O-P-V +mp-2229655,MgFe4(HO2)4,-6.7930339494,-1.5798116694000002,0.0897236316,0.0897236316,GGA+U,P-1,A4B4CD8_aP17_2_2i_2i_a_4i:Fe-H-Mg-O,17.0,A4B4CD8_aP17_2_2i_2i_a_4i:Fe-H-Mg-O +mp-2229168,MgFe4(HO2)4,-6.7631624588,-1.5499401788,0.1195951222,0.1195951222,GGA+U,C2,A4B4CD8_mC34_5_2c_2c_a_4c:Fe-H-Mg-O,17.0,A4B4CD8_mC34_5_2c_2c_a_4c:Fe-H-Mg-O +mp-2229211,MgFe4(HO2)4,-6.7321172641,-1.5188949841,0.1506403169,0.1506403169,GGA+U,Pm,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O,17.0,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O +mp-2229337,MgFe4(HO2)4,-6.7546331529,-1.5414108729,0.1281244281,0.1281244281,GGA+U,Pm,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O,17.0,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O +mp-2229818,MgFe4(HO2)4,-6.7486190071,-1.5353967271,0.134138574,0.134138574,GGA+U,Pm,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O,17.0,A4B4CD8_mP17_6_2a2b_2a2b_a_4a4b:Fe-H-Mg-O +mp-2229227,MgFe4(HO2)4,-6.6800852559,-1.4668629759,0.2026723251,0.2026723251,GGA+U,C2/m,A4B4CD8_mC34_12_2i_2i_a_4i:Fe-H-Mg-O,17.0,A4B4CD8_mC34_12_2i_2i_a_4i:Fe-H-Mg-O +mp-2228989,MgFe4(HO2)4,-6.5216643718,-1.3084420918,0.3610932093,0.3610932093,GGA+U,I4/m,A4B4CD8_tI34_87_h_h_a_2h:Fe-H-Mg-O,17.0,A4B4CD8_tI34_87_h_h_a_2h:Fe-H-Mg-O +mp-2231841,MgV2Fe2(H2O5)2,-7.1535764347,-1.9037908609,0.0736352701,0.0736352701,GGA+U,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Fe-H-Mg-O-V,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Fe-H-Mg-O-V +mp-2231039,MgV2Fe2(H2O5)2,-7.1304267458,-1.880641172,0.0967849591,0.0967849591,GGA+U,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Fe-H-Mg-O-V,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Fe-H-Mg-O-V +mp-2224449,MgFeHO2,-5.96153426,-1.2902533145,0.621999611,0.621999611,GGA+U,P3m1,ABCD2_hP5_156_c_a_b_ab:Fe-H-Mg-O,5.0,ABCD2_hP5_156_c_a_b_ab:Fe-H-Mg-O +mp-2225281,MgFeHO2,-6.13101723,-1.4597362845,0.452516641,0.452516641,GGA+U,P3m1,ABCD2_hP5_156_b_a_a_ac:Fe-H-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Fe-H-Mg-O +mp-2225867,MgFeHO2,-6.090267104,-1.4189861585,0.493266767,0.493266767,GGA+U,P3m1,ABCD2_hP5_156_a_b_a_bc:Fe-H-Mg-O,5.0,ABCD2_hP5_156_a_b_a_bc:Fe-H-Mg-O +mp-2217204,MgFe2(HO2)2,-6.6686145156,-1.6561112483,0.1193064989,0.1193064989,GGA+U,P1,A2B2CD4_aP9_1_2a_2a_a_4a:Fe-H-Mg-O,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:Fe-H-Mg-O +mp-2223597,MgFe2(HO2)2,-6.5634096033,-1.5509063361000002,0.2245114111,0.2245114111,GGA+U,Pm,A2B2CD4_mP9_6_ab_ab_a_2a2b:Fe-H-Mg-O,9.0,A2B2CD4_mP9_6_ab_ab_a_2a2b:Fe-H-Mg-O +mp-2217234,MgFe2(HO2)2,-6.61953902,-1.6070357528,0.1683819944,0.1683819944,GGA+U,Cm,A2B2CD4_mC18_8_2a_2a_a_4a:Fe-H-Mg-O,9.0,A2B2CD4_mC18_8_2a_2a_a_4a:Fe-H-Mg-O +mp-2217085,MgFe2(HO2)2,-6.4948536689,-1.4823504017,0.2930673456,0.2930673456,GGA+U,Amm2,A2B2CD4_oC18_38_ab_c_a_2a2b:Fe-H-Mg-O,9.0,A2B2CD4_oC18_38_ab_c_a_2a2b:Fe-H-Mg-O +mp-2217125,MgFe2(HO2)2,-6.4995983167,-1.4870950494,0.2883226978,0.2883226978,GGA+U,Amm2,A2B2CD4_oC18_38_ab_c_a_2a2b:Fe-H-Mg-O,9.0,A2B2CD4_oC18_38_ab_c_a_2a2b:Fe-H-Mg-O +mp-1233714,MgFe8(OF)8,-7.0580120956,-2.0889804492,0.1849784753,0.1849784753,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-1233901,MgFe8(OF)8,-7.0431764828,-2.0741448364,0.1998140881,0.1998140881,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-1234114,MgFe8(OF)8,-7.0420275628,-2.0729959164,0.2009630081,0.2009630081,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-1234726,MgFe8(OF)8,-7.0497294612,-2.0806978148,0.1932611097,0.1932611097,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220457,MgFe8(OF)8,-7.0890381476,-2.1200065012,0.1539524233,0.1539524233,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2221106,MgFe8(OF)8,-7.0434449396,-2.0744132932,0.1995456313,0.1995456313,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220574,MgFe8(OF)8,-7.0734074292,-2.1043757828,0.1695831417,0.1695831417,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220726,MgFe8(OF)8,-7.0389900748,-2.0699584284,0.2040004961,0.2040004961,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220571,MgFe8(OF)8,-7.0892028876,-2.1201712412,0.1537876833,0.1537876833,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220566,MgFe8(OF)8,-7.0810866964,-2.11205505,0.1619038745,0.1619038745,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220744,MgFe8(OF)8,-7.0462712364,-2.07723959,0.1967193345,0.1967193345,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220746,MgFe8(OF)8,-7.0900816568,-2.1210500104,0.1529089141,0.1529089141,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220495,MgFe8(OF)8,-7.0897017688,-2.1206701224,0.1532888021,0.1532888021,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220660,MgFe8(OF)8,-7.0889450996,-2.1199134532,0.1540454713,0.1540454713,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220576,MgFe8(OF)8,-7.068294544,-2.0992628976,0.1746960269,0.1746960269,GGA+U,P1,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O,25.0,A8B8CD8_aP25_1_8a_8a_a_8a:F-Fe-Mg-O +mp-2220551,MgFe8(OF)8,-7.0709065868,-2.1018749404,0.1720839841,0.1720839841,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220682,MgFe8(OF)8,-7.0901970816,-2.1211654352,0.1527934893,0.1527934893,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220461,MgFe8(OF)8,-7.0779170292,-2.1088853828,0.1650735417,0.1650735417,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220642,MgFe8(OF)8,-7.069627238,-2.1005955916,0.1733633329,0.1733633329,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220723,MgFe8(OF)8,-7.0697791108,-2.1007474644,0.1732114601,0.1732114601,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220554,MgFe8(OF)8,-7.0847398032,-2.1157081568,0.1582507677,0.1582507677,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220817,MgFe8(OF)8,-7.0668411668,-2.0978095204,0.1761494041,0.1761494041,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220358,MgFe8(OF)8,-7.0858243092,-2.1167926628,0.1571662617,0.1571662617,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220487,MgFe8(OF)8,-7.0756636144,-2.106631968,0.1673269565,0.1673269565,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220503,MgFe8(OF)8,-7.0848919132,-2.1158602668,0.1580986577,0.1580986577,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220549,MgFe8(OF)8,-7.083986762,-2.1149551156,0.1590038089,0.1590038089,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220761,MgFe8(OF)8,-7.1003926784,-2.131361032,0.1425978925,0.1425978925,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220785,MgFe8(OF)8,-7.06841117,-2.0993795236,0.1745794009,0.1745794009,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220531,MgFe8(OF)8,-7.092069618,-2.1230379716,0.1509209529,0.1509209529,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-2220561,MgFe8(OF)8,-7.0697534804,-2.100721834,0.1732370905,0.1732370905,GGA+U,Pm,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O,25.0,A8B8CD8_mP25_6_4a4b_4a4b_a_4a4b:F-Fe-Mg-O +mp-1233197,MgFe10O9F11,-6.9867308529,-2.0884418467,0.2015602701,0.2015602701,GGA+U,P1,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O,31.0,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O +mp-1233959,MgFe10O9F11,-6.9868249855,-2.0885359792,0.2014661375,0.2014661375,GGA+U,P1,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O,31.0,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O +mp-1234120,MgFe10O9F11,-6.9762633029,-2.0779742967,0.2120278201,0.2120278201,GGA+U,P1,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O,31.0,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O +mp-1234411,MgFe10O9F11,-6.9760257548,-2.0777367486,0.2122653682,0.2122653682,GGA+U,P1,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O,31.0,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O +mp-1234630,MgFe10O9F11,-6.982047351,-2.0837583447,0.206243772,0.206243772,GGA+U,P1,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O,31.0,A11B10CD9_aP31_1_11a_10a_a_9a:F-Fe-Mg-O +mp-1233689,MgFe10O9F11,-6.9439169881,-2.0456279818,0.2443741349,0.2443741349,GGA+U,Pm,A11B10CD9_mP31_6_a5c_ab4c_b_a2b3c:F-Fe-Mg-O,31.0,"Invalid WP multiplicities - A11B10CD9_mP31_6_a7c_ab7c_b_a2b5c:F-Fe-Mg-O, expected MgFe16O13F15 to be MgFe10O9F11" +mp-1233732,MgFe10O9F11,-6.9633378661,-2.0650488599,0.2249532569,0.2249532569,GGA+U,Pm,A11B10CD9_mP31_6_a5c_ab4c_a_a2b3c:F-Fe-Mg-O,31.0,"Invalid WP multiplicities - A11B10CD9_mP31_6_a7c_ab7c_a_a2b5c:F-Fe-Mg-O, expected MgFe16O13F15 to be MgFe10O9F11" +mp-1234078,MgFe10O9F11,-6.9824965187,-2.0842075125,0.2057946043,0.2057946043,GGA+U,Pm,A11B10CD9_mP31_6_a5c_ab4c_a_a2b3c:F-Fe-Mg-O,31.0,"Invalid WP multiplicities - A11B10CD9_mP31_6_a7c_ab7c_a_a2b5c:F-Fe-Mg-O, expected MgFe16O13F15 to be MgFe10O9F11" +mp-2230746,MgFe6(O2F)4,-7.1570702379,-1.9128685079,0.2606068296,0.2606068296,GGA+U,P1,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O,19.0,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O +mp-2231284,MgFe6(O2F)4,-7.0517532616,-1.8075515316,0.3659238059,0.3659238059,GGA+U,P1,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O,19.0,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O +mp-2231265,MgFe6(O2F)4,-7.1521997037,-1.9079979737,0.2654773638,0.2654773638,GGA+U,P1,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B6CD8_mC38_8_4a_6a_a_2a6b:F-Fe-Mg-O, expected MgFe6(O7F2)2 to be MgFe6(O2F)4" +mp-2230896,MgFe6(O2F)4,-7.1825342247,-1.9383324947,0.2351428427,0.2351428427,GGA+U,P1,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O,19.0,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O +mp-2231471,MgFe6(O2F)4,-7.1834287089,-1.9392269789,0.2342483585,0.2342483585,GGA+U,P1,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O,19.0,A4B6CD8_aP19_1_4a_6a_a_8a:F-Fe-Mg-O +mp-2231305,MgFe6(O2F)4,-7.1210746279,-1.8768728979,0.2966024396,0.2966024396,GGA+U,Cm,A4B6CD8_mC38_8_2ab_6a_a_4a2b:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B6CD8_mC38_8_2a2b_6a_a_4a4b:F-Fe-Mg-O, expected MgFe6(O2F)6 to be MgFe6(O2F)4" +mp-2231171,MgFe6(O2F)4,-7.1225802068,-1.8783784768,0.2950968606,0.2950968606,GGA+U,Cm,A4B6CD8_mC38_8_2ab_6a_a_4a2b:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B6CD8_mC38_8_2ab_6a_a_4a4b:F-Fe-Mg-O, expected MgFe6(O3F)4 to be MgFe6(O2F)4" +mp-2230517,MgFe6(O2F)4,-7.0943190637,-1.8501173337,0.3233580038,0.3233580038,GGA+U,P2/m,A4B6CD8_mP19_10_mn_cejk_a_2o:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B6CD8_mP19_10_m2n_bc2i2k_d_3o:F-Fe-Mg-O, expected MgFe10(O2F)6 to be MgFe6(O2F)4" +mp-2230430,MgFe6(O2F)4,-7.11985224,-1.87565051,0.2978248275,0.2978248275,GGA+U,P-4,A4B6CD8_tP19_81_h_3g_a_2h:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A4B6CD8_tP19_81_h_6g_a_8h:F-Fe-Mg-O, expected MgFe12(O8F)4 to be MgFe6(O2F)4" +mp-2217159,MgFe3(OF)3,-7.031547142,-2.2730624704,0.1370907295,0.1370907295,GGA+U,P1,A3B3CD3_aP10_1_3a_3a_a_3a:F-Fe-Mg-O,10.0,A3B3CD3_aP10_1_3a_3a_a_3a:F-Fe-Mg-O +mp-2217206,MgFe3(OF)3,-7.014500367,-2.2560156954,0.1541375045,0.1541375045,GGA+U,P1,A3B3CD3_aP10_1_3a_3a_a_3a:F-Fe-Mg-O,10.0,A3B3CD3_aP10_1_3a_3a_a_3a:F-Fe-Mg-O +mp-2217075,MgFe3(OF)3,-7.002860881,-2.2443762094,0.1657769905,0.1657769905,GGA+U,R3,A3B3CD3_hR30_146_b_3a_a_b:F-Fe-Mg-O,10.0,A3B3CD3_aP10_1_3a_3a_a_3a:F-Fe-Mg-O +mp-2217094,MgFe3(OF)3,-7.023941628,-2.2654569564,0.1446962435,0.1446962435,GGA+U,R3,A3B3CD3_hR30_146_b_3a_a_b:F-Fe-Mg-O,10.0,A3B3CD3_hR30_146_b_3a_a_b:F-Fe-Mg-O +mp-2232231,MgFe2S2(O4F)2,-6.8498233793,-2.1691773907,0.0839984207,0.0839984207,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S +mp-2232163,MgFe2S2(O4F)2,-6.8101351873,-2.1294891987,0.1236866127,0.1236866127,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S +mp-2232217,MgFe2S2(O4F)2,-6.8419599767,-2.1613139881,0.0918618233,0.0918618233,GGA+U,P1,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S,15.0,A2B2CD8E2_aP15_1_2a_2a_a_8a_2a:F-Fe-Mg-O-S +mp-2232096,MgFe2S2(O4F)2,-6.8798865007,-2.1992405121,0.0539352993,0.0539352993,GGA+U,P-1,A2B2CD8E2_aP15_2_i_ab_c_4i_i:F-Fe-Mg-O-S,15.0,A2B2CD8E2_aP15_2_i_ab_c_4i_i:F-Fe-Mg-O-S +mp-2230337,MgFe6(O5F)2,-7.3076739516,-1.7439764591,0.208974159,0.208974159,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230338,MgFe6(O5F)2,-7.3291403168,-1.7654428243,0.1875077938,0.1875077938,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231233,MgFe6(O5F)2,-7.3145621526,-1.7508646601,0.202085958,0.202085958,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230658,MgFe6(O5F)2,-7.31030993,-1.7466124375,0.2063381806,0.2063381806,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231808,MgFe6(O5F)2,-7.2769180163,-1.7132205238,0.2397300943,0.2397300943,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230664,MgFe6(O5F)2,-7.3071824084,-1.7434849159,0.2094657022,0.2094657022,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230699,MgFe6(O5F)2,-7.3363571995,-1.772659707,0.1802909111,0.1802909111,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230416,MgFe6(O5F)2,-7.2771022421,-1.7134047496,0.2395458685,0.2395458685,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230995,MgFe6(O5F)2,-7.3024627453,-1.7387652528,0.2141853653,0.2141853653,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230708,MgFe6(O5F)2,-7.30873069,-1.7450331975000002,0.2079174206,0.2079174206,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230499,MgFe6(O5F)2,-7.3235268116,-1.7598293191,0.193121299,0.193121299,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231318,MgFe6(O5F)2,-7.3350743011,-1.7713768086,0.1815738095,0.1815738095,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231688,MgFe6(O5F)2,-7.2860406468,-1.7223431543,0.2306074637,0.2306074637,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231922,MgFe6(O5F)2,-7.2318604958,-1.6681630033,0.2847876148,0.2847876148,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231105,MgFe6(O5F)2,-7.2901960416,-1.7264985491,0.226452069,0.226452069,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230570,MgFe6(O5F)2,-7.332385934699999,-1.7686884422,0.1842621759,0.1842621759,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230266,MgFe6(O5F)2,-7.3314372889,-1.7677397964,0.1852108216,0.1852108216,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231129,MgFe6(O5F)2,-7.2861192053,-1.7224217128,0.2305289053,0.2305289053,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230887,MgFe6(O5F)2,-7.3071323263,-1.7434348338,0.2095157843,0.2095157843,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2232002,MgFe6(O5F)2,-7.3305052689,-1.7668077764,0.1861428416,0.1861428416,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2232017,MgFe6(O5F)2,-7.3017101079,-1.7380126154000002,0.2149380027,0.2149380027,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2231170,MgFe6(O5F)2,-7.332093096799999,-1.7683956043,0.1845550137,0.1845550137,GGA+U,P1,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O,19.0,A2B6CD10_aP19_1_2a_6a_a_10a:F-Fe-Mg-O +mp-2230912,MgFe6(O5F)2,-7.3346786379,-1.7709811454,0.1819694727,0.1819694727,GGA+U,P-1,A2B6CD10_aP19_2_i_bc2i_a_5i:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B6CD10_aP19_2_i_bc3i_a_9i:F-Fe-Mg-O, expected MgFe8(O9F)2 to be MgFe6(O5F)2" +mp-2231518,MgFe6(O5F)2,-7.3088145705,-1.745117078,0.2078335401,0.2078335401,GGA+U,P-1,A2B6CD10_aP19_2_i_bc2i_a_5i:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B6CD10_aP19_2_i_bc3i_a_9i:F-Fe-Mg-O, expected MgFe8(O9F)2 to be MgFe6(O5F)2" +mp-2230597,MgFe6(O5F)2,-7.3219229184,-1.7582254259,0.1947251922,0.1947251922,GGA+U,Pm,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O +mp-2230643,MgFe6(O5F)2,-7.2685188268,-1.7048213343,0.2481292838,0.2481292838,GGA+U,Pm,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O +mp-2231610,MgFe6(O5F)2,-7.3023413963,-1.7386439038,0.2143067143,0.2143067143,GGA+U,Pm,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O +mp-2230969,MgFe6(O5F)2,-7.2854096905,-1.721712198,0.2312384201,0.2312384201,GGA+U,Pm,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O +mp-2230283,MgFe6(O5F)2,-7.2730979247,-1.7094004322,0.2435501859,0.2435501859,GGA+U,Pm,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O +mp-2230840,MgFe6(O5F)2,-7.2429249332,-1.6792274407,0.2737231774,0.2737231774,GGA+U,Pm,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_ab_3a3b_a_5a5b:F-Fe-Mg-O +mp-2231058,MgFe6(O5F)2,-7.3047949605,-1.741097468,0.2118531501,0.2118531501,GGA+U,Pm,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_2a_3a3b_b_4a6b:F-Fe-Mg-O +mp-2231641,MgFe6(O5F)2,-7.2633321495,-1.699634657,0.2533159611,0.2533159611,GGA+U,Pm,A2B6CD10_mP19_6_c_ab2c_a_2a2b3c:F-Fe-Mg-O,19.0,A2B6CD10_mP19_6_c_ab2c_a_2a2b3c:F-Fe-Mg-O +mp-2231159,MgFe6(O5F)2,-7.2688044721,-1.7051069796,0.2478436385,0.2478436385,GGA+U,Cm,A2B6CD10_mC38_8_2a_6a_a_4a3b:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B6CD10_mC38_8_2a_6a_a_4a5b:F-Fe-Mg-O, expected MgFe6(O7F)2 to be MgFe6(O5F)2" +mp-2231746,MgFe6(O5F)2,-7.2682772674,-1.7045797749,0.2483708432,0.2483708432,GGA+U,Cm,A2B6CD10_mC38_8_2a_6a_a_4a3b:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B6CD10_mC38_8_2a_6a_a_4a6b:F-Fe-Mg-O, expected MgFe6(O8F)2 to be MgFe6(O5F)2" +mp-2231867,MgFe6(O5F)2,-7.2856601405,-1.721962648,0.2309879701,0.2309879701,GGA+U,P2/m,A2B6CD10_mP19_10_n_bdmn_c_3m2n:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A2B6CD10_mP19_10_m_ce2m2n_b_2m5n:F-Fe-Mg-O, expected MgFe10(O7F)2 to be MgFe6(O5F)2" +mp-2230041,MgFe6O7F5,-7.0701237326,-1.9856698839,0.2621133058,0.2621133058,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230928,MgFe6O7F5,-7.1158579905,-2.0314041418,0.216379048,0.216379048,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230354,MgFe6O7F5,-7.0529579489,-1.9685041002,0.2792790895,0.2792790895,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230444,MgFe6O7F5,-7.0926375021,-2.0081836534,0.2395995364,0.2395995364,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230768,MgFe6O7F5,-7.1450695742,-2.0606157255,0.1871674643,0.1871674643,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230986,MgFe6O7F5,-7.1525569147,-2.068103066,0.1796801237,0.1796801237,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230716,MgFe6O7F5,-7.0919520011,-2.0074981523,0.2402850374,0.2402850374,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2231016,MgFe6O7F5,-7.1124764953,-2.0280226465,0.2197605432,0.2197605432,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230457,MgFe6O7F5,-7.1383396768,-2.0538858281,0.1938973616,0.1938973616,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230521,MgFe6O7F5,-7.0981542121,-2.0137003634,0.2340828264,0.2340828264,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2231426,MgFe6O7F5,-7.1148469226,-2.0303930739,0.2173901158,0.2173901158,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2230856,MgFe6O7F5,-7.0809533184,-1.9964994697,0.2512837201,0.2512837201,GGA+U,P1,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O,19.0,A5B6CD7_aP19_1_5a_6a_a_7a:F-Fe-Mg-O +mp-2231423,MgFe6O7F5,-7.1100548374,-2.0256009886,0.2221822011,0.2221822011,GGA+U,Pm,A5B6CD7_mP19_6_a2bc_ab2c_a_a3c:F-Fe-Mg-O,19.0,A5B6CD7_mP19_6_a2bc_ab2c_a_a3c:F-Fe-Mg-O +mp-2230740,MgFe6O11F,-7.2969491089,-1.5735037352,0.2408256239,0.2408256239,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2230391,MgFe6O11F,-7.2661673247,-1.542721951,0.2716074081,0.2716074081,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2231556,MgFe6O11F,-7.3513483226,-1.6279029489,0.1864264102,0.1864264102,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2231274,MgFe6O11F,-7.3591471479,-1.6357017741000002,0.178627585,0.178627585,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2231583,MgFe6O11F,-7.3626440442,-1.6391986705,0.1751306887,0.1751306887,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2230732,MgFe6O11F,-7.3127804063,-1.5893350326,0.2249943265,0.2249943265,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2230454,MgFe6O11F,-7.3254435237,-1.6019981499,0.2123312092,0.2123312092,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2231383,MgFe6O11F,-7.3699075463,-1.6464621726000002,0.1678671865,0.1678671865,GGA+U,P1,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O,19.0,AB6CD11_aP19_1_a_6a_a_11a:F-Fe-Mg-O +mp-2231781,MgFe6O11F,-7.3293865779,-1.6059412041,0.208388155,0.208388155,GGA+U,Pm,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O,19.0,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O +mp-2230927,MgFe6O11F,-7.2483244842,-1.5248791105,0.2894502487,0.2894502487,GGA+U,Pm,AB6CD11_mP19_6_a_ab2c_a_a2b4c:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - AB6CD11_mP19_6_a_ab4c_a_a2b6c:F-Fe-Mg-O, expected MgFe10O15F to be MgFe6O11F" +mp-2230131,MgFe6O11F,-7.3342816758,-1.610836302,0.2034930571,0.2034930571,GGA+U,Pm,AB6CD11_mP19_6_a_3a3b_a_5a6b:F-Fe-Mg-O,19.0,AB6CD11_mP19_6_a_3a3b_a_5a6b:F-Fe-Mg-O +mp-2231010,MgFe6O11F,-7.3272131311,-1.6037677573,0.2105616018,0.2105616018,GGA+U,Pm,AB6CD11_mP19_6_a_ab2c_b_a2b4c:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - AB6CD11_mP19_6_a_ab4c_b_a2b6c:F-Fe-Mg-O, expected MgFe10O15F to be MgFe6O11F" +mp-2231444,MgFe6O11F,-7.3304551963,-1.6070098226,0.2073195365,0.2073195365,GGA+U,Pm,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O,19.0,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O +mp-2231706,MgFe6O11F,-7.3457075242,-1.6222621505,0.1920672087,0.1920672087,GGA+U,Pm,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O,19.0,AB6CD11_mP19_6_a_3a3b_b_5a6b:F-Fe-Mg-O +mp-2230800,MgFe6O11F,-7.2860734568,-1.5626280831,0.251701276,0.251701276,GGA+U,Cm,AB6CD11_mC38_8_a_6a_a_5a3b:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - AB6CD11_mC38_8_a_6a_a_5a6b:F-Fe-Mg-O, expected MgFe6O17F to be MgFe6O11F" +mp-2225985,MgFe2(OF)2,-6.9610564329,-2.3529624575,0.13516082,0.13516082,GGA+U,P1,A2B2CD2_aP7_1_2a_2a_a_2a:F-Fe-Mg-O,7.0,A2B2CD2_aP7_1_2a_2a_a_2a:F-Fe-Mg-O +mp-2225287,MgFe2(OF)2,-6.8777995143,-2.2697055389,0.2184177386,0.2184177386,GGA+U,Pm,A2B2CD2_mP7_6_ab_ab_a_ab:F-Fe-Mg-O,7.0,A2B2CD2_mP7_6_ab_ab_a_ab:F-Fe-Mg-O +mp-2225297,MgFe2(OF)2,-6.9139093014,-2.3058153261,0.1823079514,0.1823079514,GGA+U,Pm,A2B2CD2_mP7_6_ab_ab_a_ab:F-Fe-Mg-O,7.0,A2B2CD2_mP7_6_ab_ab_a_ab:F-Fe-Mg-O +mp-2225339,MgFe2(OF)2,-6.7438978271,-2.1358038518,0.3523194257,0.3523194257,GGA+U,Pm,A2B2CD2_mP7_6_2a_ab_a_2b:F-Fe-Mg-O,7.0,A2B2CD2_mP7_6_2a_ab_a_2b:F-Fe-Mg-O +mp-2224799,MgFe2(OF)2,-6.9152234943,-2.3071295189,0.1809937586,0.1809937586,GGA+U,P2/m,A2B2CD2_mP7_10_m_ce_a_n:F-Fe-Mg-O,7.0,A2B2CD2_mP7_10_m_ae_c_n:F-Fe-Mg-O +mp-2225007,MgFe2(OF)2,-6.9104973914,-2.3024034161,0.1857198614,0.1857198614,GGA+U,Pmm2,A2B2CD2_oP7_25_bc_ad_a_bc:F-Fe-Mg-O,7.0,A2B2CD2_oP7_25_bc_ad_a_bc:F-Fe-Mg-O +mp-2225589,MgFe2(OF)2,-6.7858837343000005,-2.1777897589,0.3103335186,0.3103335186,GGA+U,Amm2,A2B2CD2_oC14_38_2b_ab_a_d:F-Fe-Mg-O,7.0,A2B2CD2_oC14_38_2b_ab_a_d:F-Fe-Mg-O +mp-2233834,MgFe4(O3F)2,-7.2480564531,-1.9416368306,0.2558084077,0.2558084077,GGA+U,Pm,A2B4CD6_mP13_6_ab_2a2b_a_3a3b:F-Fe-Mg-O,13.0,A2B4CD6_mP13_6_ab_2a2b_a_3a3b:F-Fe-Mg-O +mp-2224795,MgFe4(O3F)2,-7.3155191746,-2.0090995521,0.1883456862,0.1883456862,GGA+U,Pm,A2B4CD6_mP13_6_ab_2a2b_a_3a3b:F-Fe-Mg-O,13.0,A2B4CD6_mP13_6_ab_2a2b_a_3a3b:F-Fe-Mg-O +mp-2233579,MgFe4(O3F)2,-7.3051759685,-1.998756346,0.1986888923,0.1986888923,GGA+U,Cm,A2B4CD6_mC26_8_2a_4a_a_6a:F-Fe-Mg-O,13.0,A2B4CD6_mC26_8_2a_4a_a_6a:F-Fe-Mg-O +mp-2218329,MgFe4(OF)4,-6.9868140823000005,-2.147349805,0.2208195069,0.2208195069,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218331,MgFe4(OF)4,-7.0038152869,-2.1643510096,0.2038183023,0.2038183023,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218495,MgFe4(OF)4,-6.9859443446,-2.1464800673,0.2216892446,0.2216892446,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218410,MgFe4(OF)4,-6.8594113423,-2.019947065,0.3482222469,0.3482222469,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218661,MgFe4(OF)4,-7.0151061123,-2.175641835,0.1925274769,0.1925274769,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218347,MgFe4(OF)4,-6.5742361046,-1.7347718273,0.6333974846,0.6333974846,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218509,MgFe4(OF)4,-7.0341802438,-2.1947159665,0.1734533454,0.1734533454,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218434,MgFe4(OF)4,-6.9888491608,-2.1493848835,0.2187844285,0.2187844285,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218284,MgFe4(OF)4,-7.0139828162,-2.1745185388,0.1936507731,0.1936507731,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218363,MgFe4(OF)4,-6.9406603577,-2.1011960804,0.2669732315,0.2669732315,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218456,MgFe4(OF)4,-7.048475,-2.2090107227,0.1591585892,0.1591585892,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218371,MgFe4(OF)4,-7.0479543738,-2.2084900965,0.1596792154,0.1596792154,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218290,MgFe4(OF)4,-7.0106848346,-2.1712205573,0.1969487546,0.1969487546,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218544,MgFe4(OF)4,-6.9642443185000005,-2.1247800412,0.2433892708,0.2433892708,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218707,MgFe4(OF)4,-7.0165414931,-2.1770772158,0.1910920962,0.1910920962,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218708,MgFe4(OF)4,-7.0036762985,-2.1642120212,0.2039572908,0.2039572908,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_3ab_2a2b_a_a3b:F-Fe-Mg-O +mp-2218721,MgFe4(OF)4,-7.0442914977,-2.2048272204,0.1633420915,0.1633420915,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218311,MgFe4(OF)4,-7.0236022046,-2.1841379273,0.1840313846,0.1840313846,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218597,MgFe4(OF)4,-6.9838300285,-2.1443657512,0.2238035608,0.2238035608,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218769,MgFe4(OF)4,-7.0490014523,-2.209537175,0.1586321369,0.1586321369,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218469,MgFe4(OF)4,-7.0051152131,-2.1656509358,0.2025183762,0.2025183762,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218793,MgFe4(OF)4,-6.9787019569,-2.1392376796,0.2289316323,0.2289316323,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2233594,MgFe4(OF)4,-6.9427507962,-2.1032865188,0.2648827931,0.2648827931,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2228208,MgFe4(OF)4,-6.9751100054,-2.1356457281,0.2325235838,0.2325235838,GGA+U,P1,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218564,MgFe4(OF)4,-6.9252796162,-2.0858153388,0.2823539731,0.2823539731,GGA+U,C2,A4B4CD4_mC26_5_2c_2c_a_2c:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - A4B4CD4_mC26_5_2c_4c_a_2c:F-Fe-Mg-O, expected MgFe8(OF)4 to be MgFe4(OF)4" +mp-2218328,MgFe4(OF)4,-6.9533071985,-2.1138429212,0.2543263908,0.2543263908,GGA+U,Pm,A4B4CD4_mP13_6_a3b_2a2b_a_3ab:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_a3b_2a2b_a_3ab:F-Fe-Mg-O +mp-2218404,MgFe4(OF)4,-6.9940598908,-2.1545956135,0.2135736985,0.2135736985,GGA+U,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O +mp-2218330,MgFe4(OF)4,-7.0398045923,-2.200340315,0.1678289969,0.1678289969,GGA+U,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O +mp-2218489,MgFe4(OF)4,-7.0049670515,-2.1655027742,0.2026665377,0.2026665377,GGA+U,Pm,A4B4CD4_mP13_6_3ab_2a2b_a_a3b:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_3ab_2a2b_a_a3b:F-Fe-Mg-O +mp-2218341,MgFe4(OF)4,-6.9921415354,-2.1526772581,0.2154920538,0.2154920538,GGA+U,Pm,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_2a2b_2a2b_a_2a2b:F-Fe-Mg-O +mp-2218403,MgFe4(OF)4,-7.0005796,-2.1611153227,0.2070539892,0.2070539892,GGA+U,Pm,A4B4CD4_mP13_6_3ab_2a2b_a_a3b:F-Fe-Mg-O,13.0,A4B4CD4_mP13_6_3ab_2a2b_a_a3b:F-Fe-Mg-O +mp-2218549,MgFe4(OF)4,-7.0165757431,-2.1771114658,0.1910578462,0.1910578462,GGA+U,Pm,A4B4CD4_mP13_6_a3b_2a2b_a_3ab:F-Fe-Mg-O,13.0,A4B4CD4_aP13_1_4a_4a_a_4a:F-Fe-Mg-O +mp-2218351,MgFe4(OF)4,-7.0025491854,-2.1630849081,0.2050844038,0.2050844038,GGA+U,P2/m,A4B4CD4_mP13_10_mn_acn_d_mn:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - A4B4CD4_mP13_10_m2n_acn_d_m2n:F-Fe-Mg-O, expected MgFe4(OF)6 to be MgFe4(OF)4" +mp-2218365,MgFe4(OF)4,-6.9832067854,-2.1437425081,0.2244268038,0.2244268038,GGA+U,P2/m,A4B4CD4_mP13_10_mn_acn_e_mn:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - A4B4CD4_mP13_10_m2n_acn_e_m2n:F-Fe-Mg-O, expected MgFe4(OF)6 to be MgFe4(OF)4" +mp-2219542,MgFe4O7F,-7.3677067615,-1.8278094664,0.1670354702,0.1670354702,GGA+U,P1,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O,13.0,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O +mp-2219010,MgFe4O7F,-7.2897996577,-1.7499023626,0.2449425741,0.2449425741,GGA+U,P1,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O,13.0,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O +mp-2219078,MgFe4O7F,-7.2975526408,-1.7576553457,0.237189591,0.237189591,GGA+U,P1,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O,13.0,AB4CD7_aP13_1_a_4a_a_7a:F-Fe-Mg-O +mp-2218994,MgFe4O7F,-7.2508701046,-1.7109728095,0.2838721272,0.2838721272,GGA+U,Cm,AB4CD7_mC26_8_a_4a_a_3a2b:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - AB4CD7_mC26_8_a_4a_a_3a4b:F-Fe-Mg-O, expected MgFe4O11F to be MgFe4O7F" +mp-2219947,MgFe4O7F,-7.2802728177,-1.7403755226,0.2544694141,0.2544694141,GGA+U,Cm,AB4CD7_mC26_8_a_4a_a_3a2b:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - AB4CD7_mC26_8_a_4a_a_3a4b:F-Fe-Mg-O, expected MgFe4O11F to be MgFe4O7F" +mp-2218104,MgFe3OF7,-6.3737423717,-2.5956269414,0.1881900722,0.1881900722,GGA+U,R3m,A7B3CD_hR36_160_a2b_b_a_a:F-Fe-Mg-O,12.0,"Invalid WP multiplicities - A7B3CD_hR36_160_a4b_b_a_a:F-Fe-Mg-O, expected MgFe3OF13 to be MgFe3OF7" +mp-2218203,MgFe3OF7,-6.3546816175,-2.5765661872,0.2072508263,0.2072508263,GGA+U,R3m,A7B3CD_hR36_160_a2b_b_a_a:F-Fe-Mg-O,12.0,"Invalid WP multiplicities - A7B3CD_hR36_160_a4b_b_a_a:F-Fe-Mg-O, expected MgFe3OF13 to be MgFe3OF7" +mp-2218134,MgFe3OF7,-6.2897257617,-2.5116103314,0.2722066822,0.2722066822,GGA+U,R3m,A7B3CD_hR36_160_a2b_b_a_a:F-Fe-Mg-O,12.0,"Invalid WP multiplicities - A7B3CD_hR36_160_a4b_b_a_a:F-Fe-Mg-O, expected MgFe3OF13 to be MgFe3OF7" +mp-1233399,MgFe10(O4F)4,-7.2664104594,-1.6827515110000002,0.200299415,0.200299415,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1233459,MgFe10(O4F)4,-7.2756148239,-1.6919558755000002,0.1910950505,0.1910950505,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1233564,MgFe10(O4F)4,-7.2761437916,-1.6924848432,0.1905660827,0.1905660827,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1233574,MgFe10(O4F)4,-7.2743425513,-1.6906836029,0.1923673231,0.1923673231,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1233988,MgFe10(O4F)4,-7.2784135342,-1.6947545858000002,0.1882963402,0.1882963402,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1234620,MgFe10(O4F)4,-7.2844986874,-1.700839739,0.1822111869,0.1822111869,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1234818,MgFe10(O4F)4,-7.2319148358,-1.6482558874,0.2347950385,0.2347950385,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-1234921,MgFe10(O4F)4,-7.2564160687,-1.6727571203,0.2102938056,0.2102938056,GGA+U,P1,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O,31.0,A4B10CD16_aP31_1_4a_10a_a_16a:F-Fe-Mg-O +mp-2219001,MgFe4O5F3,-7.1273052308,-2.0543632809,0.2284439942,0.2284439942,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2219229,MgFe4O5F3,-7.1324163323,-2.0594743824,0.2233328927,0.2233328927,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2219511,MgFe4O5F3,-7.17596476,-2.1030228101,0.179784465,0.179784465,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2219844,MgFe4O5F3,-7.0831404738,-2.0101985239,0.2726087512,0.2726087512,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2228152,MgFe4O5F3,-7.1311954515,-2.0582535016,0.2245537735,0.2245537735,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2241182,MgFe4O5F3,-7.1823279492,-2.1093859993,0.1734212758,0.1734212758,GGA+U,P1,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O,13.0,A3B4CD5_aP13_1_3a_4a_a_5a:F-Fe-Mg-O +mp-2219304,MgFe4O5F3,-7.1244000738,-2.0514581239,0.2313491512,0.2313491512,GGA+U,Cm,A3B4CD5_mC26_8_3a_2ab_a_a2b:F-Fe-Mg-O,13.0,A3B4CD5_mC26_8_3a_2ab_a_a2b:F-Fe-Mg-O +mp-2219662,MgFe4O5F3,-7.0437600623,-1.9708181124,0.3119891627,0.3119891627,GGA+U,Cm,A3B4CD5_mC26_8_3a_4a_a_a2b:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - A3B4CD5_mC26_8_3a_4a_a_a4b:F-Fe-Mg-O, expected MgFe4(O3F)3 to be MgFe4O5F3" +mp-2219422,MgFe4O5F3,-7.1075379092,-2.0345959593,0.2482113158,0.2482113158,GGA+U,Cm,A3B4CD5_mC26_8_3a_4a_a_a2b:F-Fe-Mg-O,13.0,"Invalid WP multiplicities - A3B4CD5_mC26_8_3a_4a_a_a4b:F-Fe-Mg-O, expected MgFe4(O3F)3 to be MgFe4O5F3" +mp-2230334,MgFe6(OF)6,-6.9978053389,-2.0730993714,0.2489916705,0.2489916705,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230050,MgFe6(OF)6,-7.0269675642,-2.1022615967,0.2198294453,0.2198294453,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228401,MgFe6(OF)6,-7.0494922453,-2.1247862778,0.1973047642,0.1973047642,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228335,MgFe6(OF)6,-7.0362249958,-2.1115190283,0.2105720137,0.2105720137,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228332,MgFe6(OF)6,-6.9872948526,-2.0625888851,0.2595021568,0.2595021568,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2231288,MgFe6(OF)6,-7.0470313811,-2.1223254136,0.1997656284,0.1997656284,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228818,MgFe6(OF)6,-7.0167281495,-2.092022182,0.23006886,0.23006886,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230289,MgFe6(OF)6,-7.0529242379,-2.1282182704,0.1938727716,0.1938727716,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228789,MgFe6(OF)6,-7.0316522284,-2.1069462609,0.2151447811,0.2151447811,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230267,MgFe6(OF)6,-6.9757612268,-2.0510552593,0.2710357826,0.2710357826,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230086,MgFe6(OF)6,-7.0697942453,-2.1450882778,0.1770027642,0.1770027642,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230138,MgFe6(OF)6,-6.8862365063,-1.9615305388,0.3605605032,0.3605605032,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230794,MgFe6(OF)6,-7.0505699858,-2.1258640183,0.1962270237,0.1962270237,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228785,MgFe6(OF)6,-7.0557308668,-2.1310248993,0.1910661426,0.1910661426,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230636,MgFe6(OF)6,-7.0505581921,-2.1258522246,0.1962388174,0.1962388174,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O +mp-2230247,MgFe6(OF)6,-7.03702231,-2.1123163425,0.2097746995,0.2097746995,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230074,MgFe6(OF)6,-7.0331066074,-2.1084006399,0.2136904021,0.2136904021,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228844,MgFe6(OF)6,-7.0497780947,-2.1250721272,0.1970189147,0.1970189147,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230744,MgFe6(OF)6,-7.0601789832,-2.1354730157,0.1866180263,0.1866180263,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mC38_8_6a_6a_a_6a:F-Fe-Mg-O +mp-2228386,MgFe6(OF)6,-7.0576190095,-2.132913042,0.1891779999999999,0.1891779999999999,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230325,MgFe6(OF)6,-7.0335954953,-2.1088895278,0.2132015142,0.2132015142,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230368,MgFe6(OF)6,-7.0213535958,-2.0966476283,0.2254434137,0.2254434137,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230375,MgFe6(OF)6,-7.0347804053,-2.1100744378,0.2120166042,0.2120166042,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230550,MgFe6(OF)6,-7.0224112642,-2.0977052967,0.2243857453,0.2243857453,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230309,MgFe6(OF)6,-7.0598622926,-2.1351563251,0.1869347168,0.1869347168,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2228408,MgFe6(OF)6,-7.0602162658,-2.1355102983,0.1865807437,0.1865807437,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230157,MgFe6(OF)6,-7.0557952116,-2.1310892441,0.1910017979,0.1910017979,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230505,MgFe6(OF)6,-7.0174983084,-2.0927923409,0.2292987011,0.2292987011,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230179,MgFe6(OF)6,-7.0455302111,-2.1208242436,0.2012667984,0.2012667984,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230156,MgFe6(OF)6,-7.0449160916,-2.1202101241,0.2018809179,0.2018809179,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2231418,MgFe6(OF)6,-7.0297104026,-2.1050044351,0.2170866068,0.2170866068,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_a5b_3a3b_a_5ab:F-Fe-Mg-O +mp-2230461,MgFe6(OF)6,-7.0365996121,-2.1118936446,0.2101973974,0.2101973974,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230776,MgFe6(OF)6,-7.0246887032,-2.0999827357,0.2221083063,0.2221083063,GGA+U,P1,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230556,MgFe6(OF)6,-6.9330201674000005,-2.0083141999,0.3137768421,0.3137768421,GGA+U,P-1,A6B6CD6_aP19_2_3i_cd2i_a_3i:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A6B6CD6_aP19_2_5i_cd2i_a_5i:F-Fe-Mg-O, expected MgFe6(OF)10 to be MgFe6(OF)6" +mp-2229995,MgFe6(OF)6,-7.0655464432,-2.1408404757,0.1812505663,0.1812505663,GGA+U,P2,A6B6CD6_mP19_3_3e_ab2e_c_3e:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A6B6CD6_mP19_10_4mn_bc2mn_e_2m3n:F-Fe-Mg-O, expected MgFe8(OF)10 to be MgFe6(OF)6" +mp-2228334,MgFe6(OF)6,-7.0007342337,-2.0760282662,0.2460627758,0.2460627758,GGA+U,Pm,A6B6CD6_mP19_6_2a4b_3a3b_a_4a2b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_2a4b_3a3b_a_4a2b:F-Fe-Mg-O +mp-2229992,MgFe6(OF)6,-7.0396315405,-2.114925573,0.2071654689,0.2071654689,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230246,MgFe6(OF)6,-7.0374562747,-2.1127503072,0.2093407347,0.2093407347,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230009,MgFe6(OF)6,-7.0197984363,-2.0950924688,0.2269985732,0.2269985732,GGA+U,Pm,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O +mp-2230292,MgFe6(OF)6,-7.0063856442,-2.0816796767,0.2404113653,0.2404113653,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230749,MgFe6(OF)6,-7.0061759774,-2.0814700099,0.2406210321,0.2406210321,GGA+U,Pm,A6B6CD6_mP19_6_a5b_3a3b_a_5ab:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_a5b_3a3b_a_5ab:F-Fe-Mg-O +mp-2230230,MgFe6(OF)6,-7.0367757205,-2.112069753,0.2100212889,0.2100212889,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230603,MgFe6(OF)6,-7.0252179237,-2.1005119562,0.2215790858,0.2215790858,GGA+U,Pm,A6B6CD6_mP19_6_5ab_3a3b_a_a5b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_5ab_3a3b_a_a5b:F-Fe-Mg-O +mp-2230321,MgFe6(OF)6,-7.0268196847,-2.1021137172,0.2199773247,0.2199773247,GGA+U,Pm,A6B6CD6_mP19_6_5ab_3a3b_a_a5b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_5ab_3a3b_a_a5b:F-Fe-Mg-O +mp-2230295,MgFe6(OF)6,-7.0409403547,-2.1162343872,0.2058566547,0.2058566547,GGA+U,Pm,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O +mp-2230319,MgFe6(OF)6,-7.0248756589,-2.1001696914,0.2219213505,0.2219213505,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2228414,MgFe6(OF)6,-7.0411595689,-2.1164536014,0.2056374405,0.2056374405,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230387,MgFe6(OF)6,-7.0348374326,-2.1101314651,0.2119595768,0.2119595768,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2228413,MgFe6(OF)6,-7.0154730758,-2.0907671083,0.2313239337,0.2313239337,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2231831,MgFe6(OF)6,-7.0499865263,-2.1252805588,0.1968104832,0.1968104832,GGA+U,Pm,A6B6CD6_mP19_6_4a2b_3a3b_a_2a4b:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230137,MgFe6(OF)6,-7.0239226621,-2.0992166946,0.2228743474,0.2228743474,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_aP19_1_6a_6a_a_6a:F-Fe-Mg-O +mp-2230552,MgFe6(OF)6,-7.0502829005,-2.125576933,0.1965141089,0.1965141089,GGA+U,Pm,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O,19.0,A6B6CD6_mP19_6_3a3b_3a3b_a_3a3b:F-Fe-Mg-O +mp-2230440,MgFe6(OF)6,-7.05769402,-2.1329880525,0.1891029895,0.1891029895,GGA+U,Cm,A6B6CD6_mC38_8_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mC38_8_6a_6a_a_6a:F-Fe-Mg-O +mp-2230900,MgFe6(OF)6,-7.0602545326,-2.1355485651,0.1865424768,0.1865424768,GGA+U,Cm,A6B6CD6_mC38_8_6a_6a_a_6a:F-Fe-Mg-O,19.0,A6B6CD6_mC38_8_6a_6a_a_6a:F-Fe-Mg-O +mp-2229999,MgFe6(OF)6,-6.9944224374,-2.0697164699,0.2523745721,0.2523745721,GGA+U,P2/m,A6B6CD6_mP19_10_2mn_cemn_b_m2n:F-Fe-Mg-O,19.0,"Invalid WP multiplicities - A6B6CD6_mP19_10_m4n_bdm2n_c_3m2n:F-Fe-Mg-O, expected MgFe8(OF)10 to be MgFe6(OF)6" +mp-1233442,MgFe6(OF2)4,-6.8367622168,-2.2315520118,0.2073502384,0.2073502384,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Mg-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Mg-O +mp-1234388,MgFe6(OF2)4,-6.8207377405,-2.2155275355,0.2233747147,0.2233747147,GGA+U,P1,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Mg-O,19.0,A8B6CD4_aP19_1_8a_6a_a_4a:F-Fe-Mg-O +mp-2220212,MgFe12(OF)12,-7.0891085849,-2.0745532682,0.1499726707,0.1499726707,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220596,MgFe12(OF)12,-7.0875146881,-2.0729593715,0.1515665675,0.1515665675,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220597,MgFe12(OF)12,-7.0939961422,-2.0794408255,0.1450851134,0.1450851134,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220382,MgFe12(OF)12,-7.093628163,-2.0790728464,0.1454530926,0.1454530926,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220413,MgFe12(OF)12,-7.0820852922,-2.0675299755,0.1569959634,0.1569959634,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220388,MgFe12(OF)12,-7.0812835403,-2.0667282236,0.1577977153,0.1577977153,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220389,MgFe12(OF)12,-7.1035387776,-2.0889834609,0.135542478,0.135542478,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O +mp-2220325,MgFe12(OF)12,-7.1000202795,-2.0854649628,0.1390609761,0.1390609761,GGA+U,P1,A12B12CD12_aP37_1_12a_12a_a_12a:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220201,MgFe12(OF)12,-7.1096336714,-2.0950783547,0.1294475842,0.1294475842,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220202,MgFe12(OF)12,-7.0818244938,-2.0672691772,0.1572567618,0.1572567618,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220207,MgFe12(OF)12,-7.0840003546,-2.069445038,0.155080901,0.155080901,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220208,MgFe12(OF)12,-7.0833313005,-2.0687759839,0.155749955,0.155749955,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220211,MgFe12(OF)12,-7.0993053557,-2.0847500391,0.1397758999,0.1397758999,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220213,MgFe12(OF)12,-7.0704363095,-2.0558809928,0.1686449461,0.1686449461,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220273,MgFe12(OF)12,-7.0976484857,-2.0830931691,0.1414327699,0.1414327699,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220216,MgFe12(OF)12,-7.0769392546,-2.062383938,0.162142001,0.162142001,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220234,MgFe12(OF)12,-7.0909239924,-2.0763686758,0.1481572632,0.1481572632,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220222,MgFe12(OF)12,-7.0831835105,-2.0686281939,0.155897745,0.155897745,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220226,MgFe12(OF)12,-7.09377911,-2.0792237934,0.1453021456,0.1453021456,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220238,MgFe12(OF)12,-7.07343586,-2.0588805434,0.1656453956,0.1656453956,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220455,MgFe12(OF)12,-7.0735750792,-2.0590197626,0.1655061764,0.1655061764,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220659,MgFe12(OF)12,-7.0895670614,-2.0750117447,0.1495141942,0.1495141942,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220245,MgFe12(OF)12,-7.0522559651,-2.0377006485,0.1868252905,0.1868252905,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220384,MgFe12(OF)12,-7.0884157576,-2.0738604409,0.150665498,0.150665498,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220253,MgFe12(OF)12,-7.0612822973,-2.0467269807,0.1777989583,0.1777989583,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220405,MgFe12(OF)12,-7.0946375905,-2.0800822739,0.144443665,0.144443665,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-2220314,MgFe12(OF)12,-7.0594210522,-2.0448657355,0.1796602034,0.1796602034,GGA+U,Pm,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O,37.0,A12B12CD12_mP37_6_6a6b_6a6b_a_6a6b:F-Fe-Mg-O +mp-1233170,MgFe8(O7F)2,-7.2525366244,-1.5550546395,0.2707587761,0.2707587761,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233175,MgFe8(O7F)2,-7.334506562,-1.6370245771,0.1887888385,0.1887888385,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233198,MgFe8(O7F)2,-7.3319408248,-1.6344588399000002,0.1913545757,0.1913545757,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233237,MgFe8(O7F)2,-7.3072424792,-1.6097604943,0.2160529213,0.2160529213,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233317,MgFe8(O7F)2,-7.2749492516,-1.5774672667,0.2483461489,0.2483461489,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233662,MgFe8(O7F)2,-7.3281692524,-1.6306872675,0.1951261481,0.1951261481,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233745,MgFe8(O7F)2,-7.2754824668,-1.5780004819,0.2478129337,0.2478129337,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1233766,MgFe8(O7F)2,-7.3093454644,-1.6118634795,0.2139499361,0.2139499361,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234032,MgFe8(O7F)2,-7.2827521872,-1.5852702023,0.2405432133,0.2405432133,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234151,MgFe8(O7F)2,-7.2825075676,-1.5850255827000002,0.2407878329,0.2407878329,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234230,MgFe8(O7F)2,-7.2692764672,-1.5717944823,0.2540189333,0.2540189333,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234287,MgFe8(O7F)2,-7.2943425068,-1.5968605219,0.2289528937,0.2289528937,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234413,MgFe8(O7F)2,-7.2136345616,-1.5161525767,0.3096608389,0.3096608389,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234425,MgFe8(O7F)2,-7.2560685128,-1.5585865279000002,0.2672268877,0.2672268877,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234549,MgFe8(O7F)2,-7.2882385204,-1.5907565355000002,0.2350568801,0.2350568801,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234611,MgFe8(O7F)2,-7.218250298,-1.5207683131,0.3050451025,0.3050451025,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234884,MgFe8(O7F)2,-7.3265313312,-1.6290493463,0.1967640693,0.1967640693,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1234927,MgFe8(O7F)2,-7.2659001496,-1.5684181647000002,0.2573952509,0.2573952509,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-1235007,MgFe8(O7F)2,-7.24055565,-1.5430736651,0.2827397505,0.2827397505,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-2220484,MgFe8(O7F)2,-7.25613572,-1.5586537351,0.2671596805,0.2671596805,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-2220486,MgFe8(O7F)2,-7.2286209264,-1.5311389415,0.2946744741,0.2946744741,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-2220699,MgFe8(O7F)2,-7.2867940668,-1.5893120819000002,0.2365013337,0.2365013337,GGA+U,P1,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O,25.0,A2B8CD14_aP25_1_2a_8a_a_14a:F-Fe-Mg-O +mp-2231570,MgFe6(O3F)3,-7.2483227295,-1.8443731182,0.2188398596,0.2188398596,GGA+U,P1,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O,19.0,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O +mp-2230770,MgFe6(O3F)3,-7.2145551989,-1.8106055877,0.2526073901,0.2526073901,GGA+U,P1,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O,19.0,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O +mp-2230258,MgFe6(O3F)3,-7.2948199437,-1.8908703324,0.1723426454,0.1723426454,GGA+U,P1,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O,19.0,A3B6CD9_aP19_1_3a_6a_a_9a:F-Fe-Mg-O +mp-1196398,Si6Sb2H36(C4O)3,-5.2990366042,-0.4086620225,0.0553354703,0.0553354703,GGA,P-1,A12B36C3D2E6_aP118_2_12i_36i_3i_2i_6i:C-H-O-Sb-Si,118.0,A12B36C3D2E6_aP118_2_12i_36i_3i_2i_6i:C-H-O-Sb-Si +mp-1219550,SbHC2O5,-7.1857048783,-1.5509824532,0.0346709822,0.0346709822,GGA,P2_12_12_1,A2BC5D_oP36_19_2a_a_5a_a:C-H-O-Sb,36.0,A2BC5D_oP36_19_2a_a_5a_a:C-H-O-Sb +mp-759690,MnH8(NF3)2,-5.3159818306,-1.5250590478,0.0895168625,0.0895168625,GGA+U,P6_3mc,A6B8CD2_hP34_186_2c_ab2c_b_ab:F-H-Mn-N,34.0,"Invalid WP multiplicities - A6B8CD2_hP34_186_9c_a2b11c_b_a2b:F-H-Mn-N, expected MnH36(NF9)3 to be MnH8(NF3)2" +mp-1181416,MnFeH4NF6,-5.8181719108,-1.8944558021,0.1023338573,0.1023338573,GGA+U,Pnc2,A6BC4DE_oP104_30_12c_2c_8c_2c_2a2b:F-Fe-H-Mn-N,104.0,A6BC4DE_oP104_30_12c_2c_8c_2c_2a2b:F-Fe-H-Mn-N +mp-1182519,MnFeH4NF6,-5.9185139329,-1.9947978243,0.0019918352,0.0019918352,GGA+U,Pnc2,A6BC4DE_oP104_30_12c_2c_8c_2c_2a2b:F-Fe-H-Mn-N,104.0,A6BC4DE_oP104_30_12c_2c_8c_2c_2a2b:F-Fe-H-Mn-N +mp-1201036,MnFeNF6,-5.910634376,-1.7509226835,0.6514146255000001,0.6514146255000001,GGA+U,Pnc2,A6BCD_oP72_30_12c_2c_2c_2a2b:F-Fe-Mn-N,72.0,A6BCD_oP72_30_12c_2c_2c_2a2b:F-Fe-Mn-N +mp-1210843,MnH4NF3,-5.7771331464,-1.6878163353,0.0128738342,0.0128738342,GGA+U,Pnma,A3B4CD_oP36_62_cd_2cd_a_c:F-H-Mn-N,36.0,A3B4CD_oP36_62_cd_2cd_a_c:F-H-Mn-N +mp-24128,ReH4NO4,-6.837018289,-1.4231501755,0.0,-0.0700943043,GGA,I4_1/a,A4BC4D_tI40_88_f_a_f_b:H-N-O-Re,20.0,A4BC4D_tI40_88_f_a_f_b:H-N-O-Re +mp-733822,ScRe4H8NO20,-7.2420385174,-1.6384310069,0.2015516576,0.2015516576,GGA,P-4n2,A8BC20D4E_tP68_118_2i_a_5i_i_c:H-N-O-Re-Sc,68.0,A8BC20D4E_tP68_118_2i_a_5i_i_c:H-N-O-Re-Sc +mp-1209200,ReH2NO2,-6.145264055,0.0980445487,1.3063810861,1.3063810861,GGA,I4_1/a,A2BC2D_tI48_88_f_c_f_d:H-N-O-Re,24.0,A2BC2D_tI48_88_f_c_f_d:H-N-O-Re +mp-17025,Sr3Y(BO3)3,-8.0888749128,-3.3330420886,0.0023692458,0.0023692458,GGA,R-3,A3B9C3D_hR96_148_f_3f_f_ab:B-O-Sr-Y,32.0,"Invalid WP multiplicities - A3B9C3D_hR96_148_f_4f_f_ab:B-O-Sr-Y, expected Sr3Y(BO4)3 to be Sr3Y(BO3)3" +mp-1215941,YSc(BO3)2,-9.061049597,-3.4772639942,0.0073618253,0.0073618253,GGA,R-3,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Y,10.0,A2B6CD_hR30_148_c_f_a_b:B-O-Sc-Y +mp-561157,Sr3Y2(BO3)4,-8.3178274964,-3.3616725343,0.0204377934,0.0204377934,GGA,Pna2_1,A4B12C3D2_oP84_33_4a_12a_3a_2a:B-O-Sr-Y,84.0,"Invalid WP multiplicities - A4B12C3D2_oP84_33_16a_42a_5a_4a:B-O-Sr-Y, expected Sr5Y4(B8O21)2 to be Sr3Y2(BO3)4" +mp-1020642,Sr3Y2(BO3)4,-8.2987524508,-3.3425974887,0.039512839,0.039512839,GGA,Pnma,A4B12C3D2_oP84_62_2cd_2c5d_cd_d:B-O-Sr-Y,84.0,A4B12C3D2_oP84_62_2cd_2c5d_cd_d:B-O-Sr-Y +mp-18043,Sr6YSc(BO3)6,-8.0940154747,-3.3423702133,0.0,-0.0093426677,GGA,R-3,A6B18CD6E_hR96_148_f_3f_a_f_b:B-O-Sc-Sr-Y,32.0,"Invalid WP multiplicities - A6B18CD6E_hR96_148_f_4f_a_f_b:B-O-Sc-Sr-Y, expected Sr6YSc(BO4)6 to be Sr6YSc(BO3)6" +mp-1029522,Li7SbN4,-4.7617421702,-0.525288753,0.0,-0.0123448969,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Sb,96.0,A7B4C_cP96_218_bcefi_ei_ad:Li-N-Sb +mp-1247352,Li3SbN2,-4.6202682212,-0.1988082729,0.3434055667,0.3434055667,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-Sb,24.0,A3B2C_tI48_141_eg_h_e:Li-N-Sb +mp-1246593,Li3SbN2,-4.614519669,-0.1930597206,0.349154119,0.349154119,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-Sb,48.0,A3B2C_cI96_206_e_ad_c:Li-N-Sb +mp-1245532,LiSbN2,-5.8223655931,-0.144637104,0.2031178265,0.2031178265,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Li-N-Sb,16.0,AB2C_oP16_33_a_2a_a:Li-N-Sb +mp-1246846,LiSbN2,-5.615313455,0.0624150342,0.4101699647,0.4101699647,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Li-N-Sb,64.0,AB2C_oP64_61_2c_4c_2c:Li-N-Sb +mp-1245529,LiSbN2,-5.808619525,-0.1308910358,0.2168638947,0.2168638947,GGA,I-42d,AB2C_tI16_122_a_d_b:Li-N-Sb,8.0,AB2C_tI16_122_a_d_b:Li-N-Sb +mp-769129,Li3SbN3(O3F)3,-6.0786091245,-1.5986149182,0.1004171014,0.1004171014,GGA,Cmc2_1,A3B3C3D9E_oC76_36_ab_ab_ab_a4b_a:F-Li-N-O-Sb,38.0,"Invalid WP multiplicities - A3B3C3D9E_oC76_36_a2b_a2b_a2b_a8b_a:F-Li-N-O-Sb, expected Li5SbN5O17F5 to be Li3SbN3(O3F)3" +mp-541093,Nb2Hg3S(O2F5)2,-5.7254892345,-2.5179069564,0.0,-0.0252731574,GGA,Fdd2,A10B3C2D4E_oF160_43_5b_ab_b_2b_a:F-Hg-Nb-O-S,40.0,A10B3C2D4E_oF160_43_5b_ab_b_2b_a:F-Hg-Nb-O-S +mp-1218488,Sr3LaC2N4F5,-7.348707411999999,-2.5910278795,0.0197235533,0.0197235533,GGA,Cm,A2B5CD4E3_mC30_8_b_3ab_a_2b_ab:C-F-La-N-Sr,15.0,"Invalid WP multiplicities - A2B5CD4E3_mC30_8_b_3ab_a_4b_ab:C-F-La-N-Sr, expected Sr3LaC2N8F5 to be Sr3LaC2N4F5" +mp-556405,LaCN2F,-8.472591712,-1.922763429,0.0,-0.3106719031,GGA,Cmcm,ABCD2_oC20_63_a_c_c_f:C-F-La-N,10.0,ABCD2_oC20_63_a_c_c_f:C-F-La-N +mp-30533,KPt2S3,-5.20273681,-0.9257342787,0.0,-0.0625753517,GGA,R-3m,AB2C3_hR36_166_c_ae_h:K-Pt-S,12.0,AB2C3_hR36_166_c_ae_h:K-Pt-S +mp-652663,K2PtS15,-4.5972709325,-0.6895665315,0.0,-0.1771137716,GGA,Cc,A2BC15_mC72_9_2a_a_15a:K-Pt-S,36.0,A2BC15_mC72_9_2a_a_15a:K-Pt-S +mp-1212021,K2PtS6,-4.16609402,-0.487135085,0.4189417798,0.4189417798,GGA,P-1,A2BC6_aP9_2_i_a_3i:K-Pt-S,9.0,A2BC6_aP9_2_i_a_3i:K-Pt-S +mp-1079869,K2PtS6,-4.2208887878,-0.5419298528000001,0.364147012,0.364147012,GGA,C2/m,A2BC6_mC18_12_i_a_ij:K-Pt-S,9.0,"Invalid WP multiplicities - A2BC6_mC18_12_i_a_2i2j:K-Pt-S, expected K2PtS12 to be K2PtS6" +mp-1078821,CsK2Pt,-2.1387620075,0.158071389,0.158071389,0.158071389,GGA,P4/mbm,AB2C_tP8_127_b_g_c:Cs-K-Pt,8.0,AB2C_tP8_127_b_g_c:Cs-K-Pt +mp-1192711,KPtS2O9,-6.1029628985,-1.4895297906,0.1268544005,0.1268544005,GGA,P-1,AB9CD2_aP26_2_i_9i_i_2i:K-O-Pt-S,26.0,AB9CD2_aP26_2_i_9i_i_2i:K-O-Pt-S +mp-645189,CsKPt6(S3O14)2,-6.3522924948,-1.5485166768,0.0,-0.0891230468,GGA,R-3,ABC28D6E6_hR252_148_c_c_c9f_2f_2f:Cs-K-O-Pt-S,84.0,"Invalid WP multiplicities - ABC28D6E6_hR252_148_c_c_2c49f_6f_11f:Cs-K-O-Pt-S, expected CsKPt18S33O149 to be CsKPt6(S3O14)2" +mp-556254,K4Pt2(SO4)5,-6.2786585419,-1.8851138327,0.0,-0.0303419938,GGA,P-1,A4B20C2D5_aP124_2_8i_40i_4i_10i:K-O-Pt-S,124.0,"Invalid WP multiplicities - A4B20C2D5_aP124_2_16i_79i_6i_20i:K-O-Pt-S, expected K16Pt6S20O79 to be K4Pt2(SO4)5" +mp-7928,K2PtS2,-4.44680677,-1.1338405804,0.0,-0.1025978724,GGA,Immm,A2BC2_oI10_71_e_c_g:K-Pt-S,5.0,A2BC2_oI10_71_e_c_g:K-Pt-S +mp-1200645,K3Pt2(SO4)6,-6.2394050509,-1.6961852865,0.0254326991,0.0254326991,GGA,C2/c,A3B24C2D6_mC140_15_ef_12f_f_3f:K-O-Pt-S,70.0,A3B24C2D6_mC140_15_ef_12f_f_3f:K-O-Pt-S +mp-42264,K2MnH4(Cl2O)2,-4.91398078,-1.6646545163000002,0.0235504452,0.0235504452,GGA+U,I-42m,A4B4C2DE2_tI26_121_i_i_d_a_e:Cl-H-K-Mn-O,52.0,A4B4C2DE2_tI26_121_i_i_d_a_e:Cl-H-K-Mn-O +mp-1103922,KMnCl3O2,-4.8404001329,-1.1673427555,0.4385470043,0.4385470043,GGA+U,P-1,A3BCD2_aP14_2_3i_i_i_2i:Cl-K-Mn-O,14.0,A3BCD2_aP14_2_3i_i_i_2i:Cl-K-Mn-O +mp-727249,KMnCl3O2,-4.65525113,-0.9821937526,0.6236960072000001,0.6236960072000001,GGA+U,P-1,A3BCD2_aP14_2_3i_i_i_2i:Cl-K-Mn-O,14.0,A3BCD2_aP14_2_3i_i_i_2i:Cl-K-Mn-O +mp-743617,KMnH4Cl3O2,-5.1556680639,-1.5845493528,1.39214e-05,1.39214e-05,GGA+U,P-1,A3B4CDE2_aP22_2_3i_4i_i_i_2i:Cl-H-K-Mn-O,44.0,A3B4CDE2_aP22_2_3i_4i_i_i_2i:Cl-H-K-Mn-O +mp-1382589,KMnH4Cl3O2,-4.2783805005,-0.7072617894000001,0.8773014848,0.8773014848,GGA+U,P-1,A3B4CDE2_aP22_2_3i_4i_i_i_2i:Cl-H-K-Mn-O,22.0,A3B4CDE2_aP22_2_3i_4i_i_i_2i:Cl-H-K-Mn-O +mp-1521946,KSmSnWO6,-7.6842501665,-2.4365682231,0.1610185108,0.1610185108,GGA+U,P4_2/mmc,AB6CDE_tP20_131_e_iq_c_f_d:K-O-Sm-Sn-W,20.0,"Invalid WP multiplicities - AB6CDE_tP20_131_e_2iq_c_f_d:K-O-Sm-Sn-W, expected KSmSnWO8 to be KSmSnWO6" +mp-1521934,KSmSnWO6,-7.675775987,-2.4280940435,0.1694926903,0.1694926903,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sm-Sn-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Sm-Sn-W +mp-1213651,CsNa3P4(HO2)8,-6.272536505,-2.1223797544,0.0367301163,0.0367301163,GGA,Imm2,AB8C3D16E4_oI64_44_a_2e_bc_3cd2e_e:Cs-H-Na-O-P,,AB8C3D16E4_oI64_44_a_2e_bc_3cd2e_e:Cs-H-Na-O-P +mp-1198312,CsNa3P4(H2O5)3,-6.3881600153,-2.2132332837,0.033287837,0.033287837,GGA,P2_1/c,AB6C3D15E4_mP116_14_e_6e_ad2e_15e_4e:Cs-H-Na-O-P,116.0,AB6C3D15E4_mP116_14_e_6e_ab2e_15e_4e:Cs-H-Na-O-P +mp-1520250,KPr(NiO3)4,-5.7212067456,-0.8116447479000001,0.4299194802,0.4299194802,GGA+U,Amm2,AB4C12D_oC36_38_a_f_2cdef_b:K-Ni-O-Pr,18.0,"Invalid WP multiplicities - AB4C12D_oC36_38_a_f_3c2d2ef_b:K-Ni-O-Pr, expected KPr(Ni2O9)2 to be KPr(NiO3)4" +mp-1020616,RbMgPO4,-6.8790314325,-2.9103355076,0.0,-0.0608023506,GGA,Pna2_1,AB4CD_oP84_33_3a_12a_3a_3a:Mg-O-P-Rb,84.0,AB4CD_oP84_33_3a_12a_3a_3a:Mg-O-P-Rb +mp-975103,RbMgPO4,-6.8740177021,-2.9053217773,0.0050137304,-0.0557886202,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Mg-O-P-Rb,28.0,"Invalid WP multiplicities - AB4CD_oP28_33_a_8a_a_a:Mg-O-P-Rb, expected RbMgPO8 to be RbMgPO4" +mp-1193749,RbMgPO4,-6.8689435375,-2.9002476126000003,0.010087895,-0.0507144556,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Mg-O-P-Rb,28.0,AB4CD_oP28_62_c_2cd_c_c:Mg-O-P-Rb +mp-604725,RbMgP(H6O5)2,-5.6650448538,-1.7380962025,0.0,-0.0001233657,GGA,Pmn2_1,A12BC10DE_oP50_31_2a5b_a_4a3b_a_a:H-Mg-O-P-Rb,50.0,"Invalid WP multiplicities - A12BC10DE_oP50_31_4a13b_a_8a10b_a_a:H-Mg-O-P-Rb, expected RbMgP(H15O14)2 to be RbMgP(H6O5)2" +mp-863025,Rb2MgP4(HO2)8,-6.4594535697,-2.2174088612,0.0,-0.0045685245,GGA,P-1,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Mg-O-P-Rb,31.0,"Invalid WP multiplicities - A8BC16D4E2_aP31_2_7i_a_15i_3i_i:H-Mg-O-P-Rb, expected Rb2MgP6(H7O15)2 to be Rb2MgP4(HO2)8" +mp-558558,Ca3WCl2O5,-7.2355151475,-2.9259290797,0.0,-0.0168020452,GGA+U,Pnma,A3B2C5D_oP44_62_3c_2c_c2d_c:Ca-Cl-O-W,44.0,"Invalid WP multiplicities - A3B2C5D_oP44_62_8c_6c_3c9d_c:Ca-Cl-O-W, expected Ca8W(Cl2O7)3 to be Ca3WCl2O5" +mp-1182326,Ca2B5ClO10,-7.7427622172,-2.8136743069,0.0771567832,0.0771567832,GGA,P1,A5B2CD10_aP18_1_5a_2a_a_10a:B-Ca-Cl-O,18.0,A5B2CD10_aP18_1_5a_2a_a_10a:B-Ca-Cl-O +mp-1182639,Ca3B5Cl2O21,-6.1587272203,-1.417072551,0.5773416968,0.5773416968,GGA,Pc,A5B3C2D21_mP62_7_5a_3a_2a_21a:B-Ca-Cl-O,62.0,A5B3C2D21_mP62_7_5a_3a_2a_21a:B-Ca-Cl-O +mp-1201471,Ca3B5Cl2O21,-6.1409214471,-1.3992667777,0.59514747,0.59514747,GGA,Pc,A5B3C2D21_mP62_7_5a_3a_2a_21a:B-Ca-Cl-O,62.0,A5B3C2D21_mP62_7_5a_3a_2a_21a:B-Ca-Cl-O +mp-1214176,Ca2B5ClO9,-7.969701899,-3.0416493298,0.0,-0.0119687334,GGA,Pnn2,A5B2CD9_oP68_34_5c_2c_ab_9c:B-Ca-Cl-O,68.0,A5B2CD9_oP68_34_5c_2c_ab_9c:B-Ca-Cl-O +mp-554263,Ca2BClO3,-7.1255967032,-3.2142832283,0.0,-0.0294185486,GGA,P2_1/c,AB2CD3_mP28_14_e_2e_e_3e:B-Ca-Cl-O,28.0,"Invalid WP multiplicities - AB2CD3_mP28_14_e_5e_e_9e:B-Ca-Cl-O, expected Ca5BClO9 to be Ca2BClO3" +mp-1214203,Ca2B3ClO8,-7.0547233941,-2.3781932925,0.326541562,0.326541562,GGA,P2_1/c,A3B2CD8_mP56_14_3e_2e_e_8e:B-Ca-Cl-O,56.0,A3B2CD8_mP56_14_3e_2e_e_8e:B-Ca-Cl-O +mp-1215119,Ca3B5W8Cl2O13,-8.0265466923,-1.2174232439,1.0494954131,1.0494954131,GGA+U,Pc,A5B3C2D13E8_mP62_7_5a_3a_2a_13a_8a:B-Ca-Cl-O-W,62.0,A5B3C2D13E8_mP62_7_5a_3a_2a_13a_8a:B-Ca-Cl-O-W +mp-1190296,RbMgCO3F,-6.6942013571,-2.6140549691,0.0,-0.0162940298,GGA,P-62m,ABCD3E_hP21_189_ac_g_f_fj_g:C-F-Mg-O-Rb,21.0,ABCD3E_hP21_189_ac_g_f_fj_g:C-F-Mg-O-Rb +mp-1519547,KCaNbWO6,-8.217558705,-2.6320020686000003,0.1333387164,0.1333387164,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nb-O-W +mp-1222792,LiC6N9Cl,-7.8723665256,0.0192750513,0.2706779082,0.2706779082,GGA,Cmc2_1,A6BCD9_oC68_36_3b_a_a_a4b:C-Cl-Li-N,34.0,"Invalid WP multiplicities - A6BCD9_oC68_36_12b_a_a_2a14b:C-Cl-Li-N, expected LiC24N30Cl to be LiC6N9Cl" +mp-1210974,LiH2CN5,-7.0003164622,-0.377481454,0.0029357052,0.0029357052,GGA,P2_1/c,AB2CD5_mP36_14_e_2e_e_5e:C-H-Li-N,36.0,AB2CD5_mP36_14_e_2e_e_5e:C-H-Li-N +mp-1202349,LiH13(CN2)2,-5.1834043188,-0.2925207119,0.1278929688,0.1278929688,GGA,P4/n,A2B13CD4_tP40_85_2c_c3g_a_g:C-H-Li-N,40.0,A2B13CD4_tP40_85_2c_c3g_a_g:C-H-Li-N +mp-1196875,LiH4CN3,-6.01395652,-0.4897368184,0.0159192878,0.0159192878,GGA,P2_1/c,AB4CD3_mP36_14_e_4e_e_3e:C-H-Li-N,36.0,AB4CD3_mP36_14_e_4e_e_3e:C-H-Li-N +mp-2647033,Li2H2C6N9Cl,-7.6028719815,-0.4602578933,0.0,-0.0279825749,GGA,P1,A6BC2D2E9_aP40_1_12a_2a_4a_4a_18a:C-Cl-H-Li-N,40.0,A6BC2D2E9_aP40_1_12a_2a_4a_4a_18a:C-Cl-H-Li-N +mp-1199136,K2SmMoPO8,-7.6432637402,-2.8146601759000003,0.0,-0.0224507906,GGA+U,Ibca,A2BC8DE_oI104_73_f_d_4f_c_c:K-Mo-O-P-Sm,52.0,A2BC8DE_oI104_73_f_d_4f_c_c:K-Mo-O-P-Sm +mp-18019,K3Sm(PO4)2,-7.1537824843,-2.9787897929,0.0,-0.0394485507,GGA,P2_1/m,A3B8C2D_mP28_11_3e_4e2f_2e_e:K-O-P-Sm,28.0,"Invalid WP multiplicities - A3B8C2D_mP28_11_3e_5e3f_3e_e:K-O-P-Sm, expected K3SmP3O11 to be K3Sm(PO4)2" +mp-17439,KSm(PO3)4,-7.74357571,-2.9189946187,0.0,-0.0110036842,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Sm,36.0,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Sm +mp-1516963,BaNaYWO6,-8.154636978,-2.9200135936,0.0078415229,0.0078415229,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Na-O-W-Y +mp-1223021,Li2UWO7,-8.4801159127,-2.7806425534,0.0306497373,0.0306497373,GGA+U,Cc,A2B7CD_mC88_9_4a_14a_2a_2a:Li-O-U-W,44.0,"Invalid WP multiplicities - A2B7CD_mC88_9_5a_18a_2a_3a:Li-O-U-W, expected Li5U2(WO6)3 to be Li2UWO7" +mp-559577,Na10U8W5O44,-8.6746188086,-2.9134025778,0.0070308547,0.0070308547,GGA+U,C2/c,A10B44C8D5_mC268_15_4e3f_22f_4f_e2f:Na-O-U-W,134.0,"Invalid WP multiplicities - A10B44C8D5_mC268_15_8e12f_86f_11f_2e7f:Na-O-U-W, expected Na16U11(W4O43)2 to be Na10U8W5O44" +mp-556102,Na2U(WO5)2,-8.5755276943,-2.6208871497,0.0,-0.0137474432,GGA+U,P-1,A2B10CD2_aP30_2_2i_10i_i_2i:Na-O-U-W,30.0,"Invalid WP multiplicities - A2B10CD2_aP30_2_4i_19i_i_4i:Na-O-U-W, expected Na4UW4O19 to be Na2U(WO5)2" +mp-555626,Na2Li8U11(WO22)2,-8.938122804,-3.1815182162,0.0153438878,0.0153438878,GGA+U,P-1,A8B2C44D11E2_aP67_2_4i_i_22i_a5i_i:Li-Na-O-U-W,67.0,"Invalid WP multiplicities - A8B2C44D11E2_aP67_2_8i_i_44i_a8i_i:Li-Na-O-U-W, expected Na2Li16U17(WO44)2 to be Na2Li8U11(WO22)2" +mp-557893,Li2U4W4O25,-9.2709932096,-2.857186796,0.0166302191,0.0166302191,GGA+U,C2/c,A2B25C4D4_mC140_15_f_e12f_aef_2f:Li-O-U-W,70.0,"Invalid WP multiplicities - A2B25C4D4_mC140_15_f_2e45f_2ce2f_6f:Li-O-U-W, expected Li2U7(W3O23)4 to be Li2U4W4O25" +mp-772943,Li11U4(WO5)8,-8.4518942043,-2.6154436985,0.0266173376,0.0266173376,GGA+U,P2,A11B40C4D8_mP63_3_abc4e_2a2b2c2d16e_abcd_4e:Li-O-U-W,63.0,"Invalid WP multiplicities - A11B40C4D8_mP63_3_abc8e_2a2b2c2d32e_abcd_8e:Li-O-U-W, expected Li19U4(W2O9)8 to be Li11U4(WO5)8" +mp-759350,Li2U(WO5)2,-8.6613292167,-2.6285023289,0.0175959714,0.0175959714,GGA+U,P1,A2B10CD2_aP60_1_8a_40a_4a_8a:Li-O-U-W,60.0,A2B10CD2_aP60_1_8a_40a_4a_8a:Li-O-U-W +mp-772974,Li2U(WO5)2,-8.638465911,-2.6056390233,0.0404592771,0.0404592771,GGA+U,Pc,A2B10CD2_mP60_7_4a_20a_2a_4a:Li-O-U-W,60.0,"Invalid WP multiplicities - A2B10CD2_mP60_7_4a_23a_2a_4a:Li-O-U-W, expected Li4U2W4O23 to be Li2U(WO5)2" +mp-774512,Li2U(WO5)2,-8.6604908647,-2.6276639769,0.0184343234,0.0184343234,GGA+U,P2_12_12,A2B10CD2_oP60_18_abc_2a2b8c_ab_2c:Li-O-U-W,60.0,"Invalid WP multiplicities - A2B10CD2_oP60_18_2a2b2c_4a4b32c_2ab_7c:Li-O-U-W, expected Li8U3(W7O36)2 to be Li2U(WO5)2" +mp-17897,RbYP2O7,-7.9477650541,-3.138634947,0.0,-0.0194452922,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Y,44.0,A7B2CD_mP44_14_7e_2e_e_e:O-P-Rb-Y +mp-1209577,Rb2Y2(PO4)3,-7.8588123454,-3.0959606387,0.0010535556,0.0010535556,GGA,P2_13,A12B3C2D2_cP76_198_4b_b_2a_2a:O-P-Rb-Y,76.0,A12B3C2D2_cP76_198_4b_b_2a_2a:O-P-Rb-Y +mp-697317,Rb2YTi(PO4)3,-7.9282275353,-3.0901642021,0.0067744121,0.0067744121,GGA,P2_1,A12B3C2DE_mP152_4_48a_12a_8a_4a_4a:O-P-Rb-Ti-Y,152.0,A12B3C2DE_mP152_4_96a_24a_16a_8a_8a:O-P-Rb-Ti-Y +mp-1209357,Rb3Y(PO4)2,-7.2246745007,-2.9526610697,0.0,-0.0318824193,GGA,P-3m1,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Y,14.0,A8B2C3D_hP14_164_di_d_ad_b:O-P-Rb-Y +mp-1020656,RbY(PO3)4,-7.8319482803,-2.9174771832,0.0053735644,0.0053735644,GGA,P2_1/c,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Y,72.0,A12B4CD_mP72_14_12e_4e_e_e:O-P-Rb-Y +mp-706446,CsTiH10C4O13,-6.4703377198,-1.5068973731000002,0.1600812395,0.1600812395,GGA,P2_1/m,A4BC10D13E_mP58_11_2f_e_5f_3e5f_e:C-Cs-H-O-Ti,58.0,A4BC10D13E_mP58_11_2f_e_5f_3e5f_e:C-Cs-H-O-Ti +mp-1238514,CsTiH10C4O13,-6.5578597812,-1.5944194345,0.0725591781,0.0725591781,GGA,P2_1/m,A4BC10D13E_mP58_11_2f_e_5f_3e5f_e:C-Cs-H-O-Ti,58.0,A4BC10D13E_mP58_11_2f_e_5f_3e5f_e:C-Cs-H-O-Ti +mp-1217074,Ti2HC,-7.8254025475,-0.7223086548000001,0.0,-0.0396526262,GGA,R-3m,ABC2_hR12_166_a_b_c:C-H-Ti,4.0,ABC2_hR12_166_a_b_c:C-H-Ti +mp-1204987,TiH3CO5,-7.180180711,-1.976602791,0.0493947779,0.0493947779,GGA,Cmce,AB3C5D_oC160_64_2f_3g_c2de3g_g:C-H-O-Ti,80.0,AB3C5D_oC160_64_2f_3g_c2de3g_g:C-H-O-Ti +mp-1194855,Mn2ZnP2H2O9,-7.3654736319,-2.2582217757,0.005206687,0.005206687,GGA+U,P2_1/c,A2B2C9D2E_mP64_14_2e_2e_9e_2e_e:H-Mn-O-P-Zn,64.0,A2B2C9D2E_mP64_14_2e_2e_9e_2e_e:H-Mn-O-P-Zn +mp-1198572,YbAlB14,-6.3835509206,-0.2087591143,0.0034827988,0.0034827988,GGA,Imma,AB14C_oI64_74_a_3i2j_e:Al-B-Yb,,AB14C_oI64_74_a_3i2j_e:Al-B-Yb +mp-1215938,Yb3Y3Al10O24,-7.9550647616,-3.4502016229,0.0490372829,0.0490372829,GGA,I4_132,A10B24C3D3_cI160_214_ef_2i_c_d:Al-O-Y-Yb,,"Invalid WP multiplicities - A10B24C3D3_cI160_214_ef_3i_c_d:Al-O-Y-Yb, expected Yb3Y3Al10O36 to be Yb3Y3Al10O24" +mp-1215614,YbYAl6(BO3)8,-8.2493253908,-3.1834454505,0.0221905741,0.0221905741,GGA,R32,A6B8C24DE_hR120_155_de_cf_4f_a_b:Al-B-O-Y-Yb,,"Invalid WP multiplicities - A6B8C24DE_hR120_155_3d3e_cf_13f_a_b:Al-B-O-Y-Yb, expected YbYAl18(B4O39)2 to be YbYAl6(BO3)8" +mp-21102,Yb2AlB6,-5.5210111311,-0.3097730183,0.1385414819,0.1385414819,GGA,Pbam,AB6C2_oP36_55_g_6h_2g:Al-B-Yb,,AB6C2_oP36_55_g_6h_2g:Al-B-Yb +mp-1215441,YbYAl4,-4.2556463933,-0.4242492744,0.0131967958,0.0131967958,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Y-Yb,,A4BC_cF24_216_e_a_c:Al-Y-Yb +mp-1077729,YbAlB4,-5.5017854683,-0.1679936028,0.2473364622,0.2473364622,GGA,Pmmm,AB4C_oP6_47_a_kl_d:Al-B-Yb,,AB4C_oP6_47_a_kl_d:Al-B-Yb +mp-1191244,YbAlB4,-5.7010876462,-0.3672957807,0.0480342843,0.0480342843,GGA,Pbam,AB4C_oP24_55_g_4h_g:Al-B-Yb,,AB4C_oP24_55_g_4h_g:Al-B-Yb +mp-1095659,YbAlB4,-5.6977909317,-0.3639990661,0.0513309989,0.0513309989,GGA,Cmmm,AB4C_oC24_65_h_gip_j:Al-B-Yb,,AB4C_oC24_65_h_gip_j:Al-B-Yb +mp-1215596,YbYAl6,-4.1255653762,-0.3156235796,0.0321447687,0.0321447687,GGA,P6_3/mmc,A6BC_hP16_194_gh_c_a:Al-Y-Yb,,A6BC_hP16_194_gh_c_a:Al-Y-Yb +mp-991364,YbAl3(BO3)4,-6.608464442,-1.6657560726,1.494846778,1.494846778,GGA,C2,A3B4C12D_mC40_5_ac_2bc_2b5c_a:Al-B-O-Yb,,"Invalid WP multiplicities - A3B4C12D_mC40_5_a2c_2b2c_2b8c_a:Al-B-O-Yb, expected YbAl5(BO3)6 to be YbAl3(BO3)4" +mp-11110,YbAl3(BO3)4,-8.064640662,-3.1219322926,0.038670558,0.038670558,GGA,R32,A3B4C12D_hR60_155_e_ad_2df_b:Al-B-O-Yb,,"Invalid WP multiplicities - A3B4C12D_hR60_155_e_ad_3df_b:Al-B-O-Yb, expected YbAl3B4O15 to be YbAl3(BO3)4" +mp-1215877,Yb9Y3Al20O48,-7.6579602487,-3.3378544662,0.0613153015,0.0613153015,GGA,C2,A20B48C3D9_mC160_5_2a2b8c_24c_ac_a2b3c:Al-O-Y-Yb,,"Invalid WP multiplicities - A20B48C3D9_mC160_5_2a2b10c_36c_ac_a2b3c:Al-O-Y-Yb, expected Yb3YAl8O24 to be Yb9Y3Al20O48" +mp-1215974,Yb3Y9Al20O48,-8.2556781129,-3.5660576179,0.0256695971,0.0256695971,GGA,C2,A20B48C9D3_mC160_5_2a2b8c_24c_a2b3c_ac:Al-O-Y-Yb,,"Invalid WP multiplicities - A20B48C9D3_mC160_5_2a2b10c_36c_a2b3c_ac:Al-O-Y-Yb, expected YbY3Al8O24 to be Yb3Y9Al20O48" +mp-1196049,V6H2Pb4Se3O26,-7.1512677304,-1.9014843715,0.005241457,0.005241457,GGA+U,P-1,A2B26C4D3E6_aP82_2_2i_26i_4i_3i_6i:H-O-Pb-Se-V,82.0,A2B26C4D3E6_aP82_2_2i_26i_4i_3i_6i:H-O-Pb-Se-V +mp-1195119,V6H2Pb4Se3O26,-7.1512213489,-1.90143799,0.0052878384,0.0052878384,GGA+U,P2_1,A2B26C4D3E6_mP82_4_2a_26a_4a_3a_6a:H-O-Pb-Se-V,82.0,A2B26C4D3E6_mP82_4_2a_26a_4a_3a_6a:H-O-Pb-Se-V +mp-1196385,V6H2Pb4Se3O26,-7.144410587,-1.894627228,0.0120986004,0.0120986004,GGA+U,P2_1,A2B26C4D3E6_mP82_4_2a_26a_4a_3a_6a:H-O-Pb-Se-V,82.0,A2B26C4D3E6_mP82_4_2a_26a_4a_3a_6a:H-O-Pb-Se-V +mp-1103811,KV2Fe(AgO4)2,-7.0525045804,-1.8391578665,0.0080241782,0.0080241782,GGA+U,P-3,A2BCD8E2_hP14_147_d_a_b_dg_d:Ag-Fe-K-O-V,28.0,A2BCD8E2_hP14_147_d_a_b_dg_d:Ag-Fe-K-O-V +mp-1191609,V2FeAgO7,-7.7544267482,-1.9274076271,0.0115909657,0.0115909657,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ag-Fe-O-V,22.0,ABC7D2_aP22_2_i_i_7i_2i:Ag-Fe-O-V +mp-553910,KV4Ag11O16,-5.9496925062,-1.3324687986,0.009562269,0.009562269,GGA+U,Pbca,A11BC16D4_oP128_61_a5c_b_8c_2c:Ag-K-O-V,128.0,"Invalid WP multiplicities - A11BC16D4_oP128_61_4a35c_b_59c_6c:Ag-K-O-V, expected KV12(Ag37O59)2 to be KV4Ag11O16" +mp-1211316,KV2AgO6,-7.274282469,-2.0951925332,0.0019260727,0.0019260727,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Ag-K-O-V,20.0,ABC6D2_mC40_15_e_e_3f_f:Ag-K-O-V +mp-1192650,V2FeAg3O8,-6.9267143646000005,-1.5903564325,0.0166104003,0.0166104003,GGA+U,C2/c,A3BC8D2_mC56_15_ef_a_4f_f:Ag-Fe-O-V,28.0,A3BC8D2_mC56_15_ef_c_4f_f:Ag-Fe-O-V +mp-1045778,YV4(CuO4)3,-7.927536963,-2.2045379661,0.0606720478,0.0606720478,GGA+U,R-3,A3B12C4D_hR60_148_d_2f_ae_b:Cu-O-V-Y,20.0,"Invalid WP multiplicities - A3B12C4D_hR60_148_d_8f_a2e_b:Cu-O-V-Y, expected YV7(CuO16)3 to be YV4(CuO4)3" +mp-1377478,YV4(CuO4)3,-7.8845353495,-2.1615363526,0.1036736613,0.1036736613,GGA+U,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-V-Y,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-V-Y +mp-1042482,BaYVCuO5,-7.8065965089,-2.6619295812,0.2368429574,0.2368429574,GGA+U,P4mm,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-V-Y,9.0,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-V-Y +mp-698691,K4Ti3Ni(PO4)6,-7.7192827209,-2.8480050202,0.0136714506,0.0136714506,GGA+U,P2_1,A4BC24D6E3_mP76_4_4a_a_24a_6a_3a:K-Ni-O-P-Ti,76.0,"Invalid WP multiplicities - A4BC24D6E3_mP76_4_6a_a_46a_10a_4a:K-Ni-O-P-Ti, expected K6Ti4Ni(P5O23)2 to be K4Ti3Ni(PO4)6" +mp-944271,K2Fe2(SO4)3,-6.6376111012,-1.8517977091,0.1618697216,0.1618697216,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Fe-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_2a_5a_8b_b:Fe-K-O-S, expected K5Fe2(SO8)3 to be K2Fe2(SO4)3" +mp-2240335,K2Mg(FeS2)2,-5.0577567789,-0.9125434643,0.2305558111,0.2305558111,GGA,C2,A2B2CD4_mC18_5_ab_ab_a_2c:Fe-K-Mg-S,9.0,A2B2CD4_mC18_5_ab_ab_a_2c:Fe-K-Mg-S +mp-818232,KFe(SO6)2,-5.714153245,-0.8883042184000001,0.6088401255,0.6088401255,GGA+U,P2_1/c,ABC12D2_mP64_14_e_e_12e_2e:Fe-K-O-S,64.0,ABC12D2_mP64_14_e_e_12e_2e:Fe-K-O-S +mp-1192804,KFeS2O9,-6.4645378396,-1.6665748941,0.1760642984,0.1760642984,GGA+U,P2_1/m,ABC9D2_mP26_11_e_e_5e2f_2e:Fe-K-O-S,26.0,ABC9D2_mP26_11_e_e_5e2f_2e:Fe-K-O-S +mp-1180949,KFe3(SO7)2,-6.5965628345,-1.3942126211,0.2304665363,0.2304665363,GGA+U,R3m,A3BC14D2_hR60_160_b_a_2a4b_2a:Fe-K-O-S,20.0,A3BC14D2_hR60_160_b_a_2a4b_2a:Fe-K-O-S +mp-2218440,KMgFe(SO4)2,-6.4348495115,-1.8943026169,0.3063560221,0.3063560221,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Fe-K-Mg-O-S,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Fe-K-Mg-O-S +mp-2218323,KMgFe(SO4)2,-6.3863296308,-1.8457827361,0.3548759029,0.3548759029,GGA+U,Cm,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Fe-K-Mg-O-S,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_8_a_a_a_4a3b_2a:Fe-K-Mg-O-S, expected KMgFe(SO5)2 to be KMgFe(SO4)2" +mp-1213446,K2Fe3(S3O19)2,-5.7473506586,-0.8407438881,0.5215981746,0.5215981746,GGA+U,P6_3/m,A3B2C38D6_hP98_176_h_bc_a2fh5i_i:Fe-K-O-S,98.0,A3B2C38D6_hP98_176_h_bc_a2fh5i_i:Fe-K-O-S +mp-1543276,KFe(SO4)2,-6.627935845,-1.8423667133,0.1538257452,0.1192766186,GGA+U,P-1,ABC8D2_aP12_2_a_b_4i_i:Fe-K-O-S,12.0,"Invalid WP multiplicities - ABC8D2_aP12_2_a_b_6i_i:Fe-K-O-S, expected KFe(SO6)2 to be KFe(SO4)2" +mp-20968,KFe(SO4)2,-6.7817615902,-1.9961924585,0.0,-0.0345491266,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Fe-K-O-S,48.0,ABC8D2_mC24_12_a_c_2ij_i:Fe-K-O-S +mp-1224080,KCa2Mg2V3O12,-7.58764383,-2.8409367524,0.0,-0.00996579,GGA+U,I4_1/acd,A2BC2D12E3_tI160_142_e_b_c_3g_ae:Ca-K-Mg-O-V,80.0,"Invalid WP multiplicities - A2BC2D12E3_tI160_142_e_b_c_11g_2a2e:Ca-K-Mg-O-V, expected KCa2Mg2V6O44 to be KCa2Mg2V3O12" +mp-1023256,KCaMg6,-1.4317340794,0.1579758115,0.2101007443,0.2101007443,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ca-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ca-K-Mg, expected KCaMg12 to be KCaMg6" +mp-1023263,KCaMg6,-1.4319358369,0.157774054,0.2098989868,0.2098989868,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ca-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ca-K-Mg, expected KCaMg12 to be KCaMg6" +mp-1028182,KCaMg14,-1.4932295106,0.1017654598,0.1401520734,0.1401520734,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ca-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ca-K-Mg, expected KCaMg18 to be KCaMg14" +mp-1028171,KCaMg14,-1.50257792,0.0924170504,0.130803664,0.130803664,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ca-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ca-K-Mg, expected KCaMg26 to be KCaMg14" +mp-561144,K3CaV5O15,-7.7342731108,-2.527745705,0.0,-0.0045561449,GGA+U,Cmme,AB3C15D5_oC192_67_i_hmn_jm3n5o_n2o:Ca-K-O-V,96.0,"Invalid WP multiplicities - AB3C15D5_oC192_67_i_3h3m3n_4j4m11n38o_4n14o:Ca-K-O-V, expected K9CaV32O95 to be K3CaV5O15" +mp-555127,KCa10V7O28,-7.8445561162,-2.9910555912000003,0.0,-0.0210433306,GGA+U,R3c,A10BC28D7_hR276_161_a3b_a_a9b_a2b:Ca-K-O-V,92.0,"Invalid WP multiplicities - A10BC28D7_hR276_161_2a12b_a_2a49b_2a8b:Ca-K-O-V, expected KCa38V26O149 to be KCa10V7O28" +mp-1234591,K4CaV6O16,-7.5849926263,-2.3961907201,0.1460521504,0.1460521504,GGA+U,Cm,AB4C16D6_mC54_8_a_2ab_4a6b_2a2b:Ca-K-O-V,27.0,"Invalid WP multiplicities - AB4C16D6_mC54_8_a_2a2b_4a9b_2a3b:Ca-K-O-V, expected K6CaV8O22 to be K4CaV6O16" +mp-1101722,V3Cu2Sn(PO4)6,-7.7126596819,-2.416547251,0.0211397908,0.0211397908,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Sn-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cu-O-P-Sn-V, expected V3Cu2Sn(PO10)6 to be V3Cu2Sn(PO4)6" +mp-759445,V3CoNi2(PO4)6,-7.8875965606,-2.4120228529,0.0331700214,0.0331700214,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Ni-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Co-Ni-O-P-V, expected V3CoNi2(PO10)6 to be V3CoNi2(PO4)6" +mp-1226189,CrP2W,-8.8019530063,-0.4425073279,0.011324295,0.011324295,GGA,Pmc2_1,AB2C_oP8_26_a_ab_b:Cr-P-W,8.0,AB2C_oP8_26_a_ab_b:Cr-P-W +mp-775489,CrP6(WO8)3,-8.4039115494,-2.5295650121,0.0,-0.0062340292,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Cr-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Cr-O-P-W, expected CrP6(WO20)3 to be CrP6(WO8)3" +mp-1226193,CrP8W3,-8.0219378092,-0.3691162914,0.0216253008,0.0216253008,GGA,Cm,AB8C3_mC24_8_a_8a_3a:Cr-P-W,12.0,AB8C3_mC24_8_a_8a_3a:Cr-P-W +mp-775219,Cr3P6WO24,-8.1037450085,-2.4238151041,0.0248447814,0.0248447814,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Cr-O-P-W,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Cr-O-P-W, expected Cr3P6WO60 to be Cr3P6WO24" +mp-758279,Li6Cr3P6WO24,-7.6907340192,-2.5764551705,0.0588716267,0.0588716267,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-W,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-W +mp-553342,CsBe2BO3F2,-6.9144364056,-3.1681426343,0.0,-0.0343583649,GGA,R32,AB2CD2E3_hR27_155_a_c_b_c_d:B-Be-Cs-F-O,9.0,AB2CD2E3_hR27_155_a_c_b_c_d:B-Be-Cs-F-O +mp-729572,Cs2B12OF12,-5.9829642474,-1.9152626802,0.3830256878,0.3830256878,GGA,P2_12_12_1,A12B2C12D_oP108_19_12a_2a_12a_a:B-Cs-F-O,108.0,A12B2C12D_oP108_19_12a_2a_12a_a:B-Cs-F-O +mp-1222849,Li2ScP2HO8,-7.4310093107,-2.8636410545,0.0,-0.0059189396,GGA,P2_1,AB2C8D2E_mP28_4_a_2a_8a_2a_a:H-Li-O-P-Sc,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_4_a_3a_12a_3a_a:H-Li-O-P-Sc, expected Li3ScP3HO12 to be Li2ScP2HO8" +mp-1202705,CsGaH6(CF)2,-4.8369299338000005,-0.9569179684,0.0443357659,0.0443357659,GGA,C2/c,A2BC2DE6_mC96_15_2f_f_2f_f_6f:C-Cs-F-Ga-H,48.0,A2BC2DE6_mC96_15_2f_f_2f_f_6f:C-Cs-F-Ga-H +mp-1520907,KEuDyWO6,-8.786849842,-2.9256048336,0.0038768966,0.0038768966,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Dy-Eu-K-O-W +mp-999139,TaHgS2,-6.1166765325,-1.0080871003,0.0297597913,0.0297597913,GGA,R-3m,AB2C_hR12_166_a_c_b:Hg-S-Ta,4.0,AB2C_hR12_166_a_c_b:Hg-S-Ta +mp-541094,Ta2Hg3S(O2F5)2,-6.0381074315,-2.6548778944,0.0,-0.0191581604,GGA,Fdd2,A10B3C4DE2_oF160_43_5b_ab_2b_a_b:F-Hg-O-S-Ta,40.0,A10B3C4DE2_oF160_43_5b_ab_2b_a_b:F-Hg-O-S-Ta +mp-1225095,HRuRh(CO)6,-7.8969343312,-0.8913635527,0.2105310118,0.2105310118,GGA,P-1,A6BC6DE_aP60_2_12i_2i_12i_2i_2i:C-H-O-Rh-Ru,60.0,A6BC6DE_aP60_2_12i_2i_12i_2i_2i:C-H-O-Rh-Ru +mp-731160,H3Ru3Rh(CO)12,-7.8219867737,-0.8713434166,0.2142101323,0.2142101323,GGA,P-1,A12B3C12DE3_aP62_2_12i_3i_12i_i_3i:C-H-O-Rh-Ru,62.0,A12B3C12DE3_aP62_2_12i_3i_12i_i_3i:C-H-O-Rh-Ru +mp-1519713,KSrPrWO6,-7.877564336,-2.8556582707,0.0355990325,0.0355990325,GGA+U,Pnnn,AB6CDE_oP40_48_ab_3m_e_cd_f:K-O-Pr-Sr-W,40.0,"Invalid WP multiplicities - AB6CDE_oP40_48_2a2b_6m_e_cd_f:K-O-Pr-Sr-W, expected K2SrPrWO12 to be KSrPrWO6" +mp-1519728,KSrPrWO6,-7.859312374,-2.8374063087,0.0538509945,0.0538509945,GGA+U,F-43m,AB6CDE_cF40_216_c_f_a_d_b:K-O-Pr-Sr-W,10.0,AB6CDE_cF40_216_c_f_a_d_b:K-O-Pr-Sr-W +mp-1520659,KBaEuWO6,-8.3262127147,-2.7337488963,0.0028318601,0.0028318601,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Eu-K-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Eu-K-O-W, expected K2BaEuWO12 to be KBaEuWO6" +mp-1520553,KBaEuWO6,-8.327103967,-2.7346401486,0.0019406078,0.0019406078,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Eu-K-O-W +mp-1202167,K2Bi(IO3)5,-5.0074734085,-1.197540824,0.0,-0.0188281476,GGA,Aem2,AB5C2D15_oC92_39_a_c2d_bc_c7d:Bi-I-K-O,46.0,AB5C2D15_oC92_39_a_c2d_bc_c7d:Bi-I-K-O +mp-743256,KICl4O,-2.901159935,-0.7690741281,0.3417118579,0.3417118579,GGA,P2_1/c,A4BCD_mP28_14_4e_e_e_e:Cl-I-K-O,28.0,A4BCD_mP28_14_4e_e_e_e:Cl-I-K-O +mp-1080792,KICl2O,-3.4633475540000003,-1.2178420883,0.1061340187,0.1061340187,GGA,P2_1/m,A2BCD_mP10_11_f_a_e_e:Cl-I-K-O,10.0,A2BCD_mP10_11_f_a_e_e:Cl-I-K-O +mp-557071,KBi6ClO9,-5.8734768978,-1.7251199103,0.0072976446,0.0072976446,GGA,Ia-3d,A6BCD9_cI272_230_fg_b_a_gh:Bi-Cl-K-O,136.0,"Invalid WP multiplicities - A6BCD9_cI272_230_13f12g_b_a_14g13h:Bi-Cl-K-O, expected KBi75ClO120 to be KBi6ClO9" +mp-1196462,K2BiCl5O2,-3.3586304015,-0.8388956269000001,0.7265588156,0.7265588156,GGA,Pnma,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Cl-K-O,80.0,AB5C2D2_oP80_62_d_2c4d_2cd_2d:Bi-Cl-K-O +mp-558501,KBi6IO9,-5.8014226974,-1.6751345516,0.0,-0.0077095179,GGA,Ia-3d,A6BCD9_cI272_230_fg_b_a_gh:Bi-I-K-O,136.0,"Invalid WP multiplicities - A6BCD9_cI272_230_16f16g_b_a_18g17h:Bi-I-K-O, expected KBi96IO156 to be KBi6IO9" +mp-731661,K2I2ClO6,-4.5098102377,-1.1737920994,0.1328233895,0.1328233895,GGA,Pca2_1,AB2C2D6_oP44_29_a_2a_2a_6a:Cl-I-K-O,44.0,AB2C2D6_oP44_29_a_2a_2a_6a:Cl-I-K-O +mp-1202508,CoRe3H15(NO3)5,-6.2142702413,-0.798485746,0.5390621165,0.5390621165,GGA+U,P2_1/c,AB15C5D15E3_mP156_14_e_15e_5e_15e_3e:Co-H-N-O-Re,156.0,AB15C5D15E3_mP156_14_e_15e_5e_15e_3e:Co-H-N-O-Re +mp-1202096,CoRe3H22(N3O7)2,-6.3508896638,-1.1692704497,0.0035927036,0.0035927036,GGA+U,C2/c,AB22C6D14E3_mC184_15_c_11f_3f_7f_ef:Co-H-N-O-Re,92.0,AB22C6D14E3_mC184_15_a_11f_3f_7f_ef:Co-H-N-O-Re +mp-753358,CoRe2(H2O3)4,-6.7804485913,-1.6282988061,0.01589883,0.01589883,GGA+U,P-1,AB8C12D2_aP23_2_a_4i_6i_i:Co-H-O-Re,23.0,"Invalid WP multiplicities - AB8C12D2_aP23_2_a_7i_11i_i:Co-H-O-Re, expected CoRe2(H7O11)2 to be CoRe2(H2O3)4" +mp-720615,H4NClO5,-5.0315649639,-0.623439571,0.3498614739,0.3498614739,GGA,Pna2_1,AB4CD5_oP88_33_2a_8a_2a_10a:Cl-H-N-O,88.0,AB4CD5_oP88_33_2a_8a_2a_10a:Cl-H-N-O +mp-696666,H4NClO2,-4.7739102356,-0.5677460872,0.454522429,0.454522429,GGA,P-42_1m,AB4CD2_tP16_113_c_f_a_e:Cl-H-N-O,16.0,AB4CD2_tP16_113_c_f_a_e:Cl-H-N-O +mp-698084,H4NClO4,-4.9998743888,-0.6456053278,0.3720688809,0.3720688809,GGA,Pna2_1,AB4CD4_oP40_33_a_4a_a_4a:Cl-H-N-O,40.0,AB4CD4_oP40_33_a_4a_a_4a:Cl-H-N-O +mp-706586,H4NClO4,-5.0008758865,-0.6466068255,0.3710673831,0.3710673831,GGA,Pnma,AB4CD4_oP40_62_c_2cd_c_2cd:Cl-H-N-O,40.0,AB4CD4_oP40_62_c_2cd_c_2cd:Cl-H-N-O +mp-24019,H4NClO,-4.8431354564,-0.7427605312000001,0.2034040013,0.2034040013,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Cl-H-N-O,28.0,AB4CD_mP28_14_e_4e_e_e:Cl-H-N-O +mp-24370,H5N2ClO4,-5.1037765773,-0.4977839456,0.476508314,0.476508314,GGA,C2/c,AB5C2D4_mC96_15_f_5f_2f_4f:Cl-H-N-O,48.0,"Invalid WP multiplicities - AB5C2D4_mC96_15_f_8f_4f_7f:Cl-H-N-O, expected H8N4ClO7 to be H5N2ClO4" +mp-1197819,Be3H42N13(ClO)3,-5.1935791888,-0.7799410228,0.0,-0.0102968484,GGA,P2_1/c,A3B3C42D13E3_mP256_14_3e_3e_42e_13e_3e:Be-Cl-H-N-O,256.0,A3B3C42D13E3_mP256_14_3e_3e_42e_13e_3e:Be-Cl-H-N-O +mp-23776,BeH8(ClO2)2,-5.0917127742,-1.4673761482,0.0,-0.0340361563,GGA,P2_1/c,AB2C8D4_mP60_14_e_2e_8e_4e:Be-Cl-H-O,60.0,"Invalid WP multiplicities - AB2C8D4_mP60_14_e_2e_11e_4e:Be-Cl-H-O, expected BeH11(ClO2)2 to be BeH8(ClO2)2" +mp-1182840,Be(N3O7)2,-6.0657617588,-0.2080463125,0.7110622065000001,0.7110622065000001,GGA,P1,AB6C14_aP42_1_2a_12a_28a:Be-N-O,42.0,AB6C14_aP42_1_2a_12a_28a:Be-N-O +mp-30141,Be(N3O7)2,-6.7207635586,-0.8630481123,0.0560604068,0.0560604068,GGA,Fdd2,AB6C14_oF168_43_a_3b_7b:Be-N-O,42.0,AB6C14_oF168_43_a_3b_7b:Be-N-O +mp-1203786,BeH12(N2Cl)2,-5.069730082,-0.7805101649,0.0,-0.0505849484,GGA,Pna2_1,AB2C12D4_oP76_33_a_2a_12a_4a:Be-Cl-H-N,76.0,AB2C12D4_oP76_33_a_2a_12a_4a:Be-Cl-H-N +mp-1195806,Be2NCl5,-3.8134857512,-0.6812352569,0.6968650431,0.6968650431,GGA,Fd-3m,A2B5C_cF128_227_e_ef_c:Be-Cl-N,32.0,A2B5C_cF128_227_e_ef_c:Be-Cl-N +mp-706913,BeH8(NO5)2,-5.9179181138,-1.2978658192,0.0,-0.0147441908,GGA,I-42d,AB8C2D10_tI84_122_a_2e_d_d2e:Be-H-N-O,42.0,AB8C2D10_tI84_122_a_2e_d_d2e:Be-H-N-O +mp-30142,Be4N6O19,-6.8574254821,-1.3759183606,0.0,-0.0727494247,GGA,P3,A4B6C19_hP87_143_abc3d_6d_abc18d:Be-N-O,87.0,A4B6C19_hP87_143_abc3d_6d_abc18d:Be-N-O +mp-1201141,Be4N6O19,-6.8425982734,-1.3610911519,0.0148272087,-0.057922216,GGA,Pa-3,A4B6C19_cP232_205_cd_2d_c6d:Be-N-O,232.0,A4B6C19_cP232_205_cd_2d_c6d:Be-N-O +mp-1209698,PrN(ClO)4,-5.0111464045,-0.981316188,0.4368239877,0.4368239877,GGA,P2_12_12,A4BC4D_oP20_18_2c_a_2c_b:Cl-N-O-Pr,20.0,A4BC4D_oP20_18_2c_a_2c_b:Cl-N-O-Pr +mp-1196852,PrH10N(ClO4)2,-5.6016641532,-1.4964257832,7.9413e-06,7.9413e-06,GGA,P2/c,A2B10CD8E_mP88_13_2g_10g_g_8g_ef:Cl-H-N-O-Pr,88.0,A2B10CD8E_mP88_13_2g_10g_g_8g_ef:Cl-H-N-O-Pr +mp-1212120,PrH10N(ClO4)2,-5.6009062335,-1.4956678635,0.000765861,0.000765861,GGA,P2/c,A2B10CD8E_mP88_13_2g_10g_g_8g_ef:Cl-H-N-O-Pr,88.0,A2B10CD8E_mP88_13_2g_10g_g_8g_ef:Cl-H-N-O-Pr +mp-687255,K5CeFe2(NO2)12,-6.7088845837,-1.0910756183,0.2853994432,0.2853994432,GGA+U,Pn-3,AB2C5D12E24_cP88_201_a_b_cd_h_2h:Ce-Fe-K-N-O,88.0,"Invalid WP multiplicities - AB2C5D12E24_cP88_201_a_b_3c3d_h_26h:Ce-Fe-K-N-O, expected K15CeFe2(NO26)12 to be K5CeFe2(NO2)12" +mp-862701,CsCaCO3F,-6.9098374424,-2.783949893,0.0,-0.0262028294,GGA,P-62m,ABCDE3_hP21_189_ac_f_g_g_fj:C-Ca-Cs-F-O,21.0,ABCDE3_hP21_189_ac_f_g_g_fj:C-Ca-Cs-F-O +mp-1078328,LaBiS2O,-6.226863085,-1.827646149,0.283773104,0.283773104,GGA,P4/nmm,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-S,10.0,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-S +mp-1078397,LaBiS2O,-6.505300475,-2.106083539,0.005335714,0.005335714,GGA,P4/nmm,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-S,10.0,ABCD2_tP10_129_c_c_a_2c:Bi-La-O-S +mp-1223274,La2Bi2S4OF,-6.242764004,-2.1470680424,0.0454822695,0.0454822695,GGA,P-4m2,A2BC2DE4_tP10_115_g_a_g_b_2g:Bi-F-La-O-S,10.0,A2BC2DE4_tP10_115_g_a_g_b_2g:Bi-F-La-O-S +mp-1223105,La4Bi4S8O3F,-6.3870746565,-2.1396182077,0.0123665748,0.0123665748,GGA,I-42m,A4BC4D3E8_tI40_121_i_a_i_bc_2i:Bi-F-La-O-S,20.0,A4BC4D3E8_tI40_121_i_a_i_bc_2i:Bi-F-La-O-S +mp-1245844,Cr(CdN)3,-5.24786781,0.0994466936,0.2970286129,0.2970286129,GGA,P6_3/mmc,A3BC3_hP14_194_h_c_h:Cd-Cr-N,14.0,A3BC3_hP14_194_h_c_h:Cd-Cr-N +mp-24597,Cr2CdH14(NO2)4,-5.8489285134,-0.9990444197,0.1676738649,0.1676738649,GGA+U,P-1,AB2C14D4E8_aP29_2_a_i_7i_2i_4i:Cd-Cr-H-N-O,29.0,AB2C14D4E8_aP29_2_a_i_7i_2i_4i:Cd-Cr-H-N-O +mp-697556,Cr2CdH14(NO2)4,-5.8487115152,-0.9988274214,0.1678908632,0.1678908632,GGA+U,C2/m,AB2C14D4E8_mC58_12_a_i_3i2j_2i_2ij:Cd-Cr-H-N-O,29.0,AB2C14D4E8_mC58_12_a_i_3i2j_2i_2ij:Cd-Cr-H-N-O +mp-1246421,Cr2CdN2,-5.905677702,1.474717208,2.027946582,2.027946582,GGA,P-43m,AB2C2_cP10_215_ab_e_e:Cd-Cr-N,10.0,AB2C2_cP10_215_ab_e_e:Cd-Cr-N +mp-1245802,Cr2Cd3N4,-6.2444589783,-0.0865985428,0.2207511094,0.2207511094,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Cd-Cr-N,18.0,A3B2C4_mC36_15_ef_f_2f:Cd-Cr-N +mp-569892,Ca9B2(CCl2)4,-5.1905380513,-1.5769668464,0.0,-0.0147026119,GGA,Cmcm,A2B4C9D8_oC92_63_g_h_cfgh_acefg:B-C-Ca-Cl,46.0,"Invalid WP multiplicities - A2B4C9D8_oC92_63_g_h_2c3f4g4h_2a2c2e3f4g:B-C-Ca-Cl, expected Ca16BC2Cl11 to be Ca9B2(CCl2)4" +mp-1227228,Ca5BC4Cl3,-5.6267274623,-1.0753687607,0.0358469705,0.0358469705,GGA,C2/c,AB4C5D3_mC52_15_e_2f_e2f_ef:B-C-Ca-Cl,26.0,AB4C5D3_mC52_15_e_2f_e2f_ef:B-C-Ca-Cl +mp-781865,Ca5BC4Cl3,-5.6265742127,-1.0752155111,0.0360002201,0.0360002201,GGA,Cmcm,AB4C5D3_oC52_63_c_2f_c2f_cf:B-C-Ca-Cl,26.0,"Invalid WP multiplicities - AB4C5D3_oC52_63_c_2f_2c8f_2c3f:B-C-Ca-Cl, expected Ca18B(CCl2)4 to be Ca5BC4Cl3" +mp-649453,Ca3BCNCl2,-5.7971212875,-1.552318144,0.0,-0.0202624987,GGA,Pnma,ABC3D2E_oP32_62_c_c_3c_2c_c:B-C-Ca-Cl-N,32.0,"Invalid WP multiplicities - ABC3D2E_oP32_62_c_c_6c_6c_c:B-C-Ca-Cl-N, expected Ca6BCNCl6 to be Ca3BCNCl2" +mp-28160,Ca3C3Cl2,-5.8452245419,-1.1702408622,0.0,-0.1189291334,GGA,Cmcm,A3B3C2_oC32_63_cf_cf_ac:C-Ca-Cl,16.0,A3B3C2_oC32_63_cf_cf_ac:C-Ca-Cl +mp-23632,Ca2BN2Cl,-6.6205096017,-1.7518232615,0.0,-0.0480992537,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_2c:B-Ca-Cl-N,24.0,"Invalid WP multiplicities - AB2CD2_oP24_62_c_2c_c_3c:B-Ca-Cl-N, expected Ca2BN3Cl to be Ca2BN2Cl" +mp-741593,Ba4Y2Cu4W2O17,-7.4563551193,-2.3868503877,0.1419198356,0.1419198356,GGA+U,P1,A4B4C17D2E2_aP29_1_4a_4a_17a_2a_2a:Ba-Cu-O-W-Y,29.0,A4B4C17D2E2_aP29_1_4a_4a_17a_2a_2a:Ba-Cu-O-W-Y +mp-1228285,Ba8Y4Cu(WO8)3,-8.1258268808,-3.0530316207,0.0108179205,0.0108179205,GGA+U,I4/mmm,A8BC24D3E4_tI80_139_m_a_2egijn_bd_ce:Ba-Cu-O-W-Y,40.0,"Invalid WP multiplicities - A8BC24D3E4_tI80_139_m_a_4e4g4i4j8n_b2d_2c2e:Ba-Cu-O-W-Y, expected Ba8Y8Cu(WO24)5 to be Ba8Y4Cu(WO8)3" +mp-1228051,Ba4YCu(WO6)2,-7.9932422585,-2.8173371316,0.02391654,0.02391654,GGA+U,P4/mmm,A4BC12D2E_tP20_123_i_a_ghjk_bc_d:Ba-Cu-O-W-Y,20.0,"Invalid WP multiplicities - A4BC12D2E_tP20_123_i_a_2g2h4j4k_bc_d:Ba-Cu-O-W-Y, expected Ba4YCu(WO20)2 to be Ba4YCu(WO6)2" +mp-1042479,BaYCuWO5,-7.9239845511,-2.3488482723,0.3996534073,0.3996534073,GGA+U,P4mm,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-W-Y,9.0,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-W-Y +mp-1203800,Na2H4WO6,-6.3108144202,-1.7835669383,0.0041435344,0.0041435344,GGA+U,Pbca,A4B2C6D_oP104_61_4c_2c_6c_c:H-Na-O-W,104.0,A4B2C6D_oP104_61_4c_2c_6c_c:H-Na-O-W +mp-1202939,Na4NiH38(W3O20)2,-6.2382906867,-1.5685136374000002,0.0311703143,0.0311703143,GGA+U,P-1,A38B4CD40E6_aP89_2_19i_2i_a_20i_3i:H-Na-Ni-O-W,89.0,A38B4CD40E6_aP89_2_19i_2i_a_20i_3i:H-Na-Ni-O-W +mp-1237121,Na4NiH38(W3O20)2,-6.2267214912,-1.5569444419,0.0427395098,0.0427395098,GGA+U,P-1,A38B4CD40E6_aP89_2_19i_2i_a_20i_3i:H-Na-Ni-O-W,89.0,A38B4CD40E6_aP89_2_19i_2i_a_20i_3i:H-Na-Ni-O-W +mp-1201382,Na2H8WO12,-5.7403865437,-1.3010276867,0.043866238,0.043866238,GGA+U,P2_1/c,A8B2C12D_mP92_14_8e_2e_12e_e:H-Na-O-W,92.0,A8B2C12D_mP92_14_8e_2e_12e_e:H-Na-O-W +mp-1211096,Na2H2WO4,-5.8217772653,-1.1356230706,0.6614030039000001,0.6614030039000001,GGA+U,Pbca,A2B2C4D_oP72_61_2c_2c_4c_c:H-Na-O-W,72.0,A2B2C4D_oP72_61_2c_2c_4c_c:H-Na-O-W +mp-698480,Sb4H2SO10,-6.235083059,-1.7112716455,0.0,-0.0003514315,GGA,Pca2_1,A2B10CD4_oP68_29_2a_10a_a_4a:H-O-S-Sb,68.0,A2B10CD4_oP68_29_2a_10a_a_4a:H-O-S-Sb +mp-720857,SbH3SO6,-5.965216875,-1.5903294651,0.0050599892,0.0050599892,GGA,P2_1/c,A3B6CD_mP44_14_3e_6e_e_e:H-O-S-Sb,44.0,A3B6CD_mP44_14_3e_6e_e_e:H-O-S-Sb +mp-1204671,Cs3SbH2S4O,-4.3826520655,-1.1923658268,0.0015993136,0.0015993136,GGA,P2_1/c,A3B2CD4E_mP44_14_3e_2e_e_4e_e:Cs-H-O-S-Sb,44.0,A3B2CD4E_mP44_14_3e_2e_e_4e_e:Cs-H-O-S-Sb +mp-1192790,CsSbH4O5,-5.5673850027,-1.6284076074,0.0,-0.032605111,GGA,P-1,AB4C5D_aP22_2_i_4i_5i_i:Cs-H-O-Sb,22.0,AB4C5D_aP22_2_i_4i_5i_i:Cs-H-O-Sb +mp-771331,BaNa3PCO7,-6.7988653381,-2.5561468921,0.0306964042,0.0306964042,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:Ba-C-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:Ba-C-Na-O-P, expected BaNa5PCO13 to be BaNa3PCO7" +mp-767530,BaNa3PCO7,-6.7837807973,-2.5410623513,0.045780945,0.045780945,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Ba-C-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Ba-C-Na-O-P, expected BaNa4PCO13 to be BaNa3PCO7" +mp-1214450,BaNb6HO16,-8.9237367696,-2.879297161,0.1077206772,0.1077206772,GGA,Immm,ABC6D16_oI48_71_a_c_fm_2e3m:Ba-H-Nb-O,24.0,ABC6D16_oI48_71_a_c_fm_2e3m:Ba-H-Nb-O +mp-1214914,BaH2(CO2)4,-7.0984440207,-1.4189374413,0.4402796247,0.4402796247,GGA,C2/c,AB4C2D8_mC60_15_e_2f_f_4f:Ba-C-H-O,30.0,AB4C2D8_mC60_15_e_2f_f_4f:Ba-C-H-O +mp-601226,BaH2(CO2)2,-6.9426414319,-1.7261400031,0.1923258192,0.1923258192,GGA,P2_12_12_1,AB2C2D4_oP36_19_a_2a_2a_4a:Ba-C-H-O,36.0,"Invalid WP multiplicities - AB2C2D4_oP36_19_a_5a_6a_16a:Ba-C-H-O, expected BaH6C5O16 to be BaH2(CO2)2" +mp-690851,BaH2(CO2)2,-7.0002424619,-1.7837410331,0.1347247892,0.1347247892,GGA,P2_12_12_1,AB2C2D4_oP36_19_a_2a_2a_4a:Ba-C-H-O,36.0,AB2C2D4_oP36_19_a_2a_2a_4a:Ba-C-H-O +mp-698325,BaH4(CO2)3,-6.7721893309,-1.5681887691,0.1295162565,0.1295162565,GGA,I-4,AB3C4D6_tI112_82_g_3g_4g_6g:Ba-C-H-O,56.0,AB3C4D6_tI112_82_g_3g_4g_6g:Ba-C-H-O +mp-555646,BaH4(CO3)2,-6.6769487658,-1.782537814,0.0457599059,0.0457599059,GGA,P2_1/c,AB2C4D6_mP52_14_e_2e_4e_6e:Ba-C-H-O,52.0,"Invalid WP multiplicities - AB2C4D6_mP52_14_e_6e_12e_20e:Ba-C-H-O, expected BaH12(C3O10)2 to be BaH4(CO3)2" +mp-1215145,Ba2H2C4O9,-7.4760706053,-2.0608787029,0.0566068579,0.0566068579,GGA,P-1,A2B4C2D9_aP34_2_2i_4i_2i_9i:Ba-C-H-O,34.0,A2B4C2D9_aP34_2_2i_4i_2i_9i:Ba-C-H-O +mp-1228613,BaH2(CO3)2,-6.0169651518,-0.8495205807,1.2029543461,1.2029543461,GGA,P1,AB2C2D6_aP11_1_a_2a_2a_6a:Ba-C-H-O,11.0,AB2C2D6_aP11_1_a_2a_2a_6a:Ba-C-H-O +mp-23755,BaH3C3O7,-7.110648483,-1.7956505879,0.0492110674,0.0492110674,GGA,P2_1/c,AB3C3D7_mP56_14_e_3e_3e_7e:Ba-C-H-O,56.0,"Invalid WP multiplicities - AB3C3D7_mP56_14_e_4e_4e_9e:Ba-C-H-O, expected BaH4C4O9 to be BaH3C3O7" +mp-1204543,Ba6Nb3HO14,-7.8622384502,-3.0928995851,0.0198052463,0.0198052463,GGA,Pmn2_1,A6BC3D14_oP48_31_6a_a_3a_6a4b:Ba-H-Nb-O,48.0,A6BC3D14_oP48_31_6a_a_3a_6a4b:Ba-H-Nb-O +mp-1202302,BaH6(C2O5)2,-6.7989679236,-1.6248307668000002,0.0694825719,0.0694825719,GGA,C2/c,AB4C6D10_mC84_15_e_2f_3f_5f:Ba-C-H-O,42.0,AB4C6D10_mC84_15_e_2f_3f_5f:Ba-C-H-O +mp-542783,Ba2H14C4O15,-6.284953791,-1.6434935868,0.0443414676,0.0443414676,GGA,C2/c,A2B4C14D15_mC140_15_f_2f_7f_e7f:Ba-C-H-O,70.0,A2B4C14D15_mC140_15_f_2f_7f_e7f:Ba-C-H-O +mp-723120,BaH6C4O7,-6.5891110514,-1.3770658203,0.1570470919,0.1570470919,GGA,P-1,AB4C6D7_aP36_2_i_4i_6i_7i:Ba-C-H-O,36.0,AB4C6D7_aP36_2_i_4i_6i_7i:Ba-C-H-O +mp-644226,BaH2C2O5,-7.1253482995,-1.9358281424,0.0563426874,0.0563426874,GGA,C2/m,AB2C2D5_mC40_12_i_j_j_i2j:Ba-C-H-O,20.0,AB2C2D5_mC40_12_i_j_j_i2j:Ba-C-H-O +mp-559103,Na7Y2P7O24,-7.3549292412,-2.8848225938,0.0009100014,0.0009100014,GGA,P2/c,A7B24C7D2_mP80_13_e3g_12g_f3g_g:Na-O-P-Y,80.0,"Invalid WP multiplicities - A7B24C7D2_mP80_13_2e8g_48g_f8g_g:Na-O-P-Y, expected Na18Y2P17O96 to be Na7Y2P7O24" +mp-1220703,NaY(MoO4)2,-8.2625308175,-2.5080469578,0.017837149,0.017837149,GGA+U,I-4,A2BC8D_tI24_82_ac_b_2g_d:Mo-Na-O-Y,12.0,"Invalid WP multiplicities - A2BC8D_tI24_82_ac_b_3g_d:Mo-Na-O-Y, expected NaY(MoO6)2 to be NaY(MoO4)2" +mp-9427,NaYP2O7,-7.9400520886,-3.0998318706,0.0020662548,0.0020662548,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Na-O-P-Y,22.0,AB7C2D_mP22_4_a_7a_2a_a:Na-O-P-Y +mp-1210758,Na3Y(PO4)2,-7.2902676648,-2.9449704007,0.0,-0.0077502216,GGA,Pca2_1,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Y,112.0,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Y +mp-557549,Na2YMoPO8,-7.76120009,-2.7655090125,0.0039966273,0.0039966273,GGA+U,Ibca,AB2C8DE_oI104_73_d_f_4f_c_c:Mo-Na-O-P-Y,52.0,"Invalid WP multiplicities - AB2C8DE_oI104_73_d_f_27f_c_c:Mo-Na-O-P-Y, expected Na2YMoPO54 to be Na2YMoPO8" +mp-19497,Na5Y(MoO4)4,-7.548539474,-2.332819574,0.0,-0.0076852402,GGA+U,I4_1/a,A4B5C16D_tI104_88_f_af_4f_b:Mo-Na-O-Y,52.0,"Invalid WP multiplicities - A4B5C16D_tI104_88_f_af_8f_b:Mo-Na-O-Y, expected Na5Y(MoO8)4 to be Na5Y(MoO4)4" +mp-2715423,Na3Y2(PO4)3,-7.7185793089,-3.0935448008,0.0135419795,0.0135419795,GGA,Cc,A3B12C3D2_mC240_9_9a_36a_9a_6a:Na-O-P-Y,120.0,"Invalid WP multiplicities - A3B12C3D2_mC240_9_13a_72a_18a_6a:Na-O-P-Y, expected Na13Y6(PO4)18 to be Na3Y2(PO4)3" +mp-2715359,Na3Y2(PO4)3,-7.7189944751,-3.093959967,0.0131268132,0.0131268132,GGA,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Y,80.0,"Invalid WP multiplicities - A3B12C3D2_mC80_9_3a_30a_6a_5a:Na-O-P-Y, expected Na3Y5(PO5)6 to be Na3Y2(PO4)3" +mp-555030,NaY(PO3)4,-7.8356947683,-2.902224159,0.0100595428,0.0100595428,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Na-O-P-Y,72.0,"Invalid WP multiplicities - AB12C4D_mP72_14_e_44e_13e_e:Na-O-P-Y, expected NaYP13O44 to be NaY(PO3)4" +mp-758987,Na5CuHO4,-4.4996099581,-1.4185814101,0.0356846876,0.0356846876,GGA,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Cu-H-Na-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Cu-H-Na-O, expected Na34Cu5H2O27 to be Na5CuHO4" +mp-695830,Na2Cu(HO)4,-5.0060202095,-1.3603914566,0.023726099,0.023726099,GGA,Pna2_1,AB4C2D4_oP44_33_a_4a_2a_4a:Cu-H-Na-O,44.0,AB4C2D4_oP44_33_a_4a_2a_4a:Cu-H-Na-O +mp-1203923,Cu3B6H2O13,-7.272892475,-2.1284601429,0.0424033727,0.0424033727,GGA,Fdd2,A6B3C2D13_oF192_43_3b_ab_b_a6b:B-Cu-H-O,48.0,A6B3C2D13_oF192_43_3b_ab_b_a6b:B-Cu-H-O +mp-558794,Cu2BH5O6,-5.8166656527,-1.4222679667,0.0498924893,0.0498924893,GGA,Pnma,AB2C5D6_oP56_62_c_d_3cd_4cd:B-Cu-H-O,56.0,"Invalid WP multiplicities - AB2C5D6_oP56_62_c_d_10c7d_15c5d:B-Cu-H-O, expected Cu2BH24O25 to be Cu2BH5O6" +mp-1211371,NaCu2H3O10,-5.1301561956,-0.8072809531,0.0224063521,0.0224063521,GGA,C2/m,A2B3CD10_mC32_12_e_ai_d_3ij:Cu-H-Na-O,16.0,A2B3CD10_mC32_12_e_ci_a_3ij:Cu-H-Na-O +mp-722906,Na3CuB8H17O23,-6.4378242625,-1.9579761886,0.0197020818,0.0197020818,GGA,P-1,A8BC17D3E23_aP104_2_8i_i_17i_3i_23i:B-Cu-H-Na-O,104.0,A8BC17D3E23_aP104_2_8i_i_17i_3i_23i:B-Cu-H-Na-O +mp-757878,Na5Cu(HO2)2,-4.5668211154,-1.4598177761,0.0,-0.003226435,GGA,Pnma,AB2C5D4_oP48_62_c_d_3cd_2cd:Cu-H-Na-O,48.0,"Invalid WP multiplicities - AB2C5D4_oP48_62_c_d_11c2d_6c3d:Cu-H-Na-O, expected Na15Cu(HO6)2 to be Na5Cu(HO2)2" +mp-1044171,ZnNiP2WO9,-7.5859341425,-2.2041617186,0.0890615285,0.0890615285,GGA+U,P2_12_12_1,AB9C2DE_oP56_19_a_9a_2a_a_a:Ni-O-P-W-Zn,56.0,"Invalid WP multiplicities - AB9C2DE_mP56_4_4a_27a_6a_3a_2a:Ni-O-P-W-Zn, expected Zn2Ni4P6(WO9)3 to be ZnNiP2WO9" +mp-1329345,ZnNiP2WO9,-7.5845921654,-2.2028197415,0.0904035057,0.0904035057,GGA+U,Pnma,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-W-Zn,56.0,AB9C2DE_oP56_62_a_5c2d_2c_c_c:Ni-O-P-W-Zn +mp-1041748,Zn2NiWO6,-6.774617158,-1.6808285183,0.1763545185,0.1763545185,GGA+U,P1,AB6CD2_aP10_1_a_6a_a_2a:Ni-O-W-Zn,10.0,AB6CD2_aP10_1_a_6a_a_2a:Ni-O-W-Zn +mp-1275491,Zn2NiWO6,-6.8666621175,-1.7728734777,0.084309559,0.084309559,GGA+U,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Ni-O-W-Zn,20.0,AB6CD2_mP20_14_a_3e_b_e:Ni-O-W-Zn +mp-1105277,AlHSO5,-6.7637258513,-2.262701439,0.0,-0.0032978978,GGA,C2/c,ABC5D_mC32_15_a_e_e2f_e:Al-H-O-S,16.0,ABC5D_mC32_15_c_e_e2f_e:Al-H-O-S +mp-722527,AlH11SO10,-5.7494658479,-1.6334267477000002,0.0,-0.0013112436,GGA,P2_1/c,AB11C10D_mP92_14_e_11e_10e_e:Al-H-O-S,92.0,AB11C10D_mP92_14_e_11e_10e_e:Al-H-O-S +mp-1196041,Al2H32S3O28,-5.6769874104,-1.5696794317,0.0,-0.0020847729,GGA,P-1,A2B32C28D3_aP130_2_2i_32i_28i_3i:Al-H-O-S,130.0,A2B32C28D3_aP130_2_2i_32i_28i_3i:Al-H-O-S +mp-1229278,Al4H50S7O52,-5.7535830188,-1.5871974646,0.0435076887,0.0435076887,GGA,P-1,A4B50C52D7_aP113_2_2i_25i_26i_a3i:Al-H-O-S,113.0,A4B50C52D7_aP113_2_2i_25i_26i_a3i:Al-H-O-S +mp-850293,Al2H16S3O20,-5.9571280131,-1.7347403983,0.0,-0.0040027015,GGA,P2_1/c,A2B16C20D3_mP164_14_2e_16e_20e_3e:Al-H-O-S,164.0,"Invalid WP multiplicities - A2B16C20D3_mP164_14_3e_51e_67e_5e:Al-H-O-S, expected Al3H51S5O67 to be Al2H16S3O20" +mp-1266086,CsAlH24(SO10)2,-4.8061519744000005,-0.7796295319000001,0.7713799388,0.7700414509,GGA,R-3,ABC24D20E2_hR576_148_ae_bd_16f_c13f_cf:Al-Cs-H-O-S,192.0,"Invalid WP multiplicities - ABC24D20E2_hR576_148_ae_bd_96f_2c74f_2c2f:Al-Cs-H-O-S, expected CsAlH144(SO28)4 to be CsAlH24(SO10)2" +mp-720464,CsAlH24(SO10)2,-4.7879028677,-0.7613804252,0.7896290455,0.7882905576,GGA,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Al-Cs-H-O-S,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Al-Cs-H-O-S +mp-1198095,CsAlH24(SO10)2,-5.5775319132,-1.5510094707,0.0,-0.0013384879,GGA,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Al-Cs-H-O-S,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Al-Cs-H-O-S +mp-757796,Al2H10S3O17,-6.1634647285,-1.8534187972,0.0011082569,0.0011082569,GGA,P2_1/c,A2B10C17D3_mP128_14_ace_10e_17e_3e:Al-H-O-S,128.0,"Invalid WP multiplicities - A2B10C17D3_mP128_14_2a2c2e_37e_67e_9e:Al-H-O-S, expected Al4H37S9O67 to be Al2H10S3O17" +mp-720965,Al2H18SO15,-5.4250522178,-1.3445799677,0.313589702,0.313589702,GGA,P2_1/c,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S,144.0,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S +mp-1238496,Al2H18SO15,-5.7357800827,-1.6553078326,0.0028618372,0.0028618372,GGA,P2_1/c,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S,144.0,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S +mp-1261369,Al2H18SO15,-5.4543050999,-1.3738328497,0.28433682,0.28433682,GGA,P2_1/c,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S,144.0,A2B18C15D_mP144_14_2e_18e_15e_e:Al-H-O-S +mp-1521404,SrVSnWO6,-8.057158066,-2.3150346784,0.1316535205,0.1316535205,GGA+U,F-43m,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-V-W,10.0,A6BCDE_cF40_216_f_c_d_a_b:O-Sn-Sr-V-W +mp-6860,Na3AlP3NO9,-7.1473170191,-2.6290962805,0.0,-0.0340472905,GGA,P2_13,ABC3D9E3_cP68_198_a_a_3a_3b_b:Al-N-Na-O-P,68.0,"Invalid WP multiplicities - ABC3D9E3_cP68_198_a_a_6a_10b_b:Al-N-Na-O-P, expected Na6AlP3NO30 to be Na3AlP3NO9" +mp-759729,V3Cu2Sb(PO4)6,-7.6762445778,-2.3768146639,0.0339592355,0.0339592355,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Sb-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cu-O-P-Sb-V, expected V3Cu2Sb(PO10)6 to be V3Cu2Sb(PO4)6" +mp-19452,V2Cd(P2O7)2,-7.8427352662,-2.6047565098,0.0,-0.0078183398,GGA+U,P-1,AB14C4D2_aP21_2_a_7i_2i_be:Cd-O-P-V,21.0,"Invalid WP multiplicities - AB14C4D2_aP21_2_a_9i_2i_be:Cd-O-P-V, expected V2Cd(P2O9)2 to be V2Cd(P2O7)2" +mp-21665,V2CdP2O9,-7.8727953882,-2.5558307229,0.0,-0.0093475222,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Cd-O-P-V,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_3a2c:Cd-O-P-V, expected V5CdP2O11 to be V2CdP2O9" +mp-1217403,V2Cd5(P2O7)4,-7.232593954,-2.4745482584,0.0,-0.000912517,GGA+U,C222_1,A5B28C8D2_oC172_20_2abc_14c_4c_c:Cd-O-P-V,86.0,A5B28C8D2_oC172_20_2abc_14c_4c_c:Cd-O-P-V +mp-1216514,V4Cd3(PO4)6,-7.6913615338,-2.5479929481,0.0,-0.0038055829,GGA+U,P1,A3B24C6D4_aP37_1_3a_24a_6a_4a:Cd-O-P-V,37.0,A3B24C6D4_aP37_1_3a_24a_6a_4a:Cd-O-P-V +mp-1216433,VCd2PO7,-6.8575196155,-2.2239006086,0.0007411461,0.0007411461,GGA+U,P2_1,A2B7CD_mP22_4_2a_7a_a_a:Cd-O-P-V,22.0,A2B7CD_mP22_4_2a_7a_a_a:Cd-O-P-V +mp-1190083,VCdPO7,-6.933611696,-1.9289197645,0.170844032,0.170844032,GGA+U,P2_1,AB7CD_mP20_4_a_7a_a_a:Cd-O-P-V,20.0,AB7CD_mP20_4_a_7a_a_a:Cd-O-P-V +mp-1105353,V2Cd(PO7)2,-6.7475006058,-1.527976981,0.4985718448,0.4985718448,GGA+U,P1,AB14C2D2_aP19_1_a_14a_2a_2a:Cd-O-P-V,19.0,AB14C2D2_aP19_1_a_14a_2a_2a:Cd-O-P-V +mp-631410,CdNiP,-3.4735721733,0.5652041422,0.8657665468,0.8657665468,GGA,F-43m,ABC_cF12_216_c_a_b:Cd-Ni-P,3.0,ABC_cF12_216_c_a_b:Cd-Ni-P +mp-1217198,VCdNiP2O13,-6.5439813419,-1.4928429659,0.3567878646,0.3567878646,GGA+U,Iba2,ABC13D2E_oI144_45_ab_c_13c_2c_c:Cd-Ni-O-P-V,72.0,"Invalid WP multiplicities - ABC13D2E_oI144_45_2ab_c_18c_3c_c:Cd-Ni-O-P-V, expected V2Cd3Ni2(PO6)6 to be VCdNiP2O13" +mp-1213935,CdNi(PO3)4,-7.2878886861,-2.4147497416,0.0,-0.0032002267,GGA+U,C2/c,ABC12D4_mC72_15_e_c_6f_2f:Cd-Ni-O-P,36.0,ABC12D4_mC72_15_e_c_6f_2f:Cd-Ni-O-P +mp-19510,V2Cd(PO5)2,-7.7768177025,-2.4845381008,0.0,-0.0020950599,GGA+U,P2_1/c,AB10C2D2_mP60_14_e_10e_2e_2e:Cd-O-P-V,60.0,"Invalid WP multiplicities - AB10C2D2_mP60_14_e_13e_2e_5e:Cd-O-P-V, expected V5CdP2O13 to be V2Cd(PO5)2" +mp-557159,V2Cd(PO5)2,-7.7737878337,-2.4815082319,0.0030298688,0.0009348089,GGA+U,Fdd2,AB10C2D2_oF120_43_a_5b_b_b:Cd-O-P-V,30.0,"Invalid WP multiplicities - AB10C2D2_oF120_43_a_17b_b_b:Cd-O-P-V, expected V2Cd(PO17)2 to be V2Cd(PO5)2" +mp-558711,V3Cd5P6O25,-7.2593046447,-2.438453367,0.0,-0.0009886281,GGA+U,C2/c,A5B25C6D3_mC156_15_a2f_e12f_3f_ef:Cd-O-P-V,78.0,"Invalid WP multiplicities - A5B25C6D3_mC156_15_a2f_2e47f_6f_2e3f:Cd-O-P-V, expected V8Cd5(PO8)12 to be V3Cd5P6O25" +mp-686571,Ca10P6ClO24F,-7.52806641,-3.3610102543,0.0064492377,0.0064492377,GGA,P3,A10BCD24E6_hP84_143_4b4c4d_2a_2a_16d_4d:Ca-Cl-F-O-P,84.0,"Invalid WP multiplicities - A10BCD24E6_hP84_143_4b4c12d_2a_2a_48d_12d:Ca-Cl-F-O-P, expected Ca22P18ClO72F to be Ca10P6ClO24F" +mp-1203798,CuP2H18C6Cl,-5.0137935191,-0.2561003009,0.0136340553,0.0136340553,GGA,P2_13,A6BCD18E2_cP224_198_4b_2a_2a_12b_ab:C-Cl-Cu-H-P,224.0,A6BCD18E2_cP224_198_4b_2a_2a_12b_ab:C-Cl-Cu-H-P +mp-505660,Cs2KFe(CN)6,-7.5691059575,-0.2714692446,0.0572612181,0.0572612181,GGA,P2_1/c,A6B2CDE6_mP32_14_3e_e_a_d_3e:C-Cs-Fe-K-N,32.0,A6B2CDE6_mP32_14_3e_e_a_b_3e:C-Cs-Fe-K-N +mp-1044309,MgTiV(PO4)3,-8.1347874931,-2.9025735935,0.0341424901,0.0341424901,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Mg-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Mg-O-P-Ti-V, expected MgTiV(PO18)3 to be MgTiV(PO4)3" +mp-560870,BaGa2B2O7,-7.4278100667,-2.7644124412,0.0,-0.0091664235,GGA,Cmcm,A2BC2D7_oC48_63_g_c_g_ce2g:B-Ba-Ga-O,24.0,"Invalid WP multiplicities - A2BC2D7_oC48_63_g_c_g_2c3e6g:B-Ba-Ga-O, expected BaGa2(BO10)2 to be BaGa2B2O7" +mp-10509,BaGaBO3F2,-6.9505382394,-3.1643523891,0.0,-0.0087597798,GGA,P6_3/m,ABC2DE3_hP16_176_c_b_f_d_h:B-Ba-F-Ga-O,16.0,ABC2DE3_hP16_176_c_b_f_d_h:B-Ba-F-Ga-O +mp-1202821,Sr3B6O11F2,-7.9288401934,-3.2296872505,0.0,-0.0048465448,GGA,P2_1,A6B2C11D3_mP44_4_6a_2a_11a_3a:B-F-O-Sr,44.0,A6B2C11D3_mP44_4_6a_2a_11a_3a:B-F-O-Sr +mp-1182538,Ba3Sr4B3O9F5,-7.1180358448,-3.5084247121,0.0173902504,0.0173902504,GGA,P6_3mc,A3B3C5D9E4_hP48_186_c_c_abc_cd_bc:B-Ba-F-O-Sr,48.0,A3B3C5D9E4_hP48_186_c_c_abc_cd_bc:B-Ba-F-O-Sr +mp-560818,Sr5B3O9F,-7.4879734801,-3.3259001497,0.0025502062,0.0025502062,GGA,Pnma,A3BC9D5_oP72_62_cd_c_3c3d_c2d:B-F-O-Sr,72.0,"Invalid WP multiplicities - A3BC9D5_oP72_62_3c3d_c_12c18d_4c11d:B-F-O-Sr, expected Sr26B9O48F to be Sr5B3O9F" +mp-1196122,CoH2PbN3O8,-6.4731631903,-0.9938690957,0.081519184,0.081519184,GGA+U,C2/c,AB2C3D8E_mC120_15_f_2f_3f_8f_f:Co-H-N-O-Pb,60.0,AB2C3D8E_mC120_15_f_2f_3f_8f_f:Co-H-N-O-Pb +mp-1201988,MgTl2H12(SO7)2,-5.6149116218,-1.5966916032,0.0,-0.0003721929,GGA,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-S-Tl,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-S-Tl +mp-1195153,Tb2CuH4(SO6)2,-6.7042895445,-2.2008606246,0.0103786777,0.0103786777,GGA,P2_1/c,AB4C12D2E2_mP42_14_a_2e_6e_e_e:Cu-H-O-S-Tb,42.0,AB4C12D2E2_mP42_14_a_2e_6e_e_e:Cu-H-O-S-Tb +mp-1519405,BaSrYWO6,-8.4044548055,-3.1331346051,0.0129631268,0.0129631268,GGA+U,P-1,AB6CDE_aP20_2_i_6i_i_ah_be:Ba-O-Sr-W-Y,20.0,"Invalid WP multiplicities - AB6CDE_aP20_2_i_12i_i_ah_be:Ba-O-Sr-W-Y, expected BaSrYWO12 to be BaSrYWO6" +mp-1519448,BaSrYWO6,-8.401223651,-3.1299034506,0.0161942813,0.0161942813,GGA+U,P222,AB6CDE_oP40_16_abch_6u_defg_u_u:Ba-O-Sr-W-Y,40.0,AB6CDE_oP40_16_abch_6u_defg_u_u:Ba-O-Sr-W-Y +mp-1519298,BaSrYWO6,-8.318615233,-3.0472950326,0.0988026993,0.0988026993,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ba-O-Sr-W-Y +mp-1520976,KPrMgWO6,-7.782407421,-2.7694226961,0.067196951,0.067196951,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Mg-O-Pr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Mg-O-Pr-W +mp-1099106,KCeMg14,-1.6811006519,0.1593623983,0.1778188984,0.1778188984,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ce-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ce-K-Mg, expected KCeMg26 to be KCeMg14" +mp-1040341,KCeMg30O32,-6.2858131466,-2.9522830159,0.0952648917,0.0952648917,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ce-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ce-K-Mg-O, expected KCeMg90O80 to be KCeMg30O32" +mp-1040240,KCeMg30O32,-6.2947710131,-2.9612408825000003,0.0863070252,0.0863070252,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ce-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ce-K-Mg-O, expected KCeMg110O72 to be KCeMg30O32" +mp-1021705,KCeMg6,-1.8420092075,0.2386368427,0.259005446,0.259005446,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ce-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ce-K-Mg, expected KCeMg12 to be KCeMg6" +mp-1034054,KCeMg14O16,-6.2294680463,-2.8358921656,0.2051633503,0.2051633503,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ce-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ce-K-Mg-O, expected KCeMg18O20 to be KCeMg14O16" +mp-1034018,KCeMg14O16,-6.2448292606,-2.8512533799,0.1898021359,0.1898021359,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ce-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ce-K-Mg-O, expected KCeMg30O32 to be KCeMg14O16" +mp-1031346,KCeMg6O8,-6.1486025412,-2.6349351605,0.3931355719,0.3931355719,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ce-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ce-K-Mg-O, expected KCeMg6O12 to be KCeMg6O8" +mp-1031413,KCeMg6O8,-6.2401074169,-2.7264400361,0.3016306962,0.3016306962,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ce-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ce-K-Mg-O, expected KCeMg6O12 to be KCeMg6O8" +mp-1522415,KCeMgWO6,-7.878026295,-2.7498232301,0.1429431444,0.1429431444,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ce-K-Mg-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ce-K-Mg-O-W +mp-582618,Eu2C(NCl)2,-8.95708898,-1.7981272282,0.0,-0.0412697561,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Cl-Eu-N,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Cl-Eu-N +mp-1070860,EuHCl,-6.9462986217000005,-1.7802104533,0.0,-0.0350403106,GGA,P4/nmm,ABC_tP6_129_c_c_a:Cl-Eu-H,6.0,ABC_tP6_129_c_c_a:Cl-Eu-H +mp-1206586,Eu2HCl2,-6.334181652,-0.8134210590000001,1.088379353,1.088379353,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Cl-Eu-H,5.0,A2B2C_tP5_123_g_g_a:Cl-Eu-H +mp-863015,EuH32C8N4Cl7,-5.1529516055,-0.5579651536,0.07747971,0.07747971,GGA,P2_12_12,A8B7CD32E4_oP104_18_4c_a3c_b_16c_2c:C-Cl-Eu-H-N,104.0,A8B7CD32E4_oP104_18_4c_a3c_b_16c_2c:C-Cl-Eu-H-N +mp-1018693,Eu2H3Cl,-6.65175138,-1.2282983142,0.0047766833,0.0047766833,GGA,P-3m1,AB2C3_hP6_164_a_d_bd:Cl-Eu-H,6.0,AB2C3_hP6_164_a_d_bd:Cl-Eu-H +mp-560905,Na2NpH2(CO3)3,-7.6107032171,-2.0469104384,0.0538572592,0.0538572592,GGA,P-1,A3B2C2DE9_aP34_2_3i_2i_2i_i_9i:C-H-Na-Np-O,34.0,"Invalid WP multiplicities - A3B2C2DE9_aP34_2_3i_2i_2i_i_17i:C-H-Na-Np-O, expected Na2NpH2C3O17 to be Na2NpH2(CO3)3" +mp-608031,NaNpCO5,-8.6802320256,-2.6511802727,0.0,-0.031358352,GGA,Pmn2_1,ABCD5_oP16_31_a_a_a_3ab:C-Na-Np-O,16.0,"Invalid WP multiplicities - ABCD5_oP16_31_a_a_a_5a3b:C-Na-Np-O, expected NaNpCO11 to be NaNpCO5" +mp-1203886,Na2Np(CO4)2,-7.6973718346,-2.0340125313,0.2868347835,0.2868347835,GGA,P2_1/c,A2B2CD8_mP52_14_2e_2e_e_8e:C-Na-Np-O,52.0,A2B2CD8_mP52_14_2e_2e_e_8e:C-Na-Np-O +mp-20299,K3Co(NO2)6,-6.5555991686,-1.1092924086,0.0878977586,0.0878977586,GGA+U,Fm-3,AB3C6D12_cF88_202_a_bc_e_h:Co-K-N-O,22.0,AB3C6D12_cF88_202_a_bc_e_h:Co-K-N-O +mp-1181644,NaCo(N2O3)4,-5.4925688555,0.6202978274000001,1.4545097911,1.4545097911,GGA+U,P23,AB8CD12_cP88_195_ac_2efghi_bd_4j:Co-N-Na-O,88.0,AB8CD12_cP88_195_ac_2efghi_bd_4j:Co-N-Na-O +mp-1210233,NaCo(N2O3)4,-6.2892619605,-0.1763952776,0.6578166861,0.6578166861,GGA+U,Fm-3,AB8CD12_cF88_202_a_ce_b_h:Co-N-Na-O,22.0,AB8CD12_cF88_202_a_ce_b_h:Co-N-Na-O +mp-645487,Na2Co(NO3)4,-6.5607649761,-1.1681537857,0.0,-0.0098480397,GGA+U,P2_1/c,AB4C2D12_mP76_14_e_4e_2e_12e:Co-N-Na-O,76.0,"Invalid WP multiplicities - AB4C2D12_mP76_14_e_8e_7e_45e:Co-N-Na-O, expected Na7CoN8O45 to be Na2Co(NO3)4" +mp-557181,K3Na3(NO4)2,-5.3628655564,-1.3912860401,0.0288108631,0.0288108631,GGA,Pbcn,A3B2C3D8_oP64_60_cd_d_3c_4d:K-N-Na-O,64.0,"Invalid WP multiplicities - A3B2C3D8_oP64_60_c2d_d_11c_24d:K-N-Na-O, expected K5Na11(NO24)2 to be K3Na3(NO4)2" +mp-19310,Na3Co(NO2)6,-6.52901756,-1.05378448,0.1060136734,0.1060136734,GGA+U,R-3,AB6C3D12_hR66_148_a_f_bc_2f:Co-N-Na-O,22.0,"Invalid WP multiplicities - AB6C3D12_hR66_148_a_f_bc_6f:Co-N-Na-O, expected Na3Co(NO6)6 to be Na3Co(NO2)6" +mp-22516,Na3Co(NO2)6,-6.5189703805,-1.0437373004,0.116060853,0.116060853,GGA+U,R-3m,AB6C3D12_hR66_166_a_h_bc_2h:Co-N-Na-O,22.0,"Invalid WP multiplicities - AB6C3D12_hR66_166_a_h_bc_6h:Co-N-Na-O, expected Na3Co(NO6)6 to be Na3Co(NO2)6" +mp-1029444,KCoN,-5.6748113958,-0.1564075068,0.0292991841,0.0292991841,GGA,Pnma,ABC_oP12_62_c_c_c:Co-K-N,12.0,ABC_oP12_62_c_c_c:Co-K-N +mp-1223676,K2Na4Co2O5,-5.03867989,-1.4647584889,0.0,-0.0024555963,GGA+U,P2_1/c,A2B2C4D5_mP26_14_e_e_2e_a2e:Co-K-Na-O,26.0,"Invalid WP multiplicities - A2B2C4D5_mP26_14_e_e_2e_a8e:Co-K-Na-O, expected K2Na4Co2O17 to be K2Na4Co2O5" +mp-17724,K2Na4Co2O5,-4.7283995815,-1.1544781805,0.3102803085,0.3078247121,GGA+U,P4_2/mnm,A2B2C4D5_tP26_136_f_g_de_aj:Co-K-Na-O,26.0,"Invalid WP multiplicities - A2B2C4D5_tP26_136_f_g_2d2e_2aj:Co-K-Na-O, expected KNa4CoO3 to be K2Na4Co2O5" +mp-1211916,K2NaCo(NO2)6,-6.5431093514,-1.0871604847,0.0995907077,0.0995907077,GGA+U,Fm-3,AB2C6DE12_cF88_202_a_c_e_b_h:Co-K-N-Na-O,22.0,AB2C6DE12_cF88_202_a_c_e_b_h:Co-K-N-Na-O +mp-1201035,KCo(N3O4)2,-6.3003237861,-0.1871240372,0.7085151689,0.7085151689,GGA+U,P2_12_12_1,ABC6D8_oP64_19_a_a_6a_8a:Co-K-N-O,64.0,ABC6D8_oP64_19_a_a_6a_8a:Co-K-N-O +mp-1221537,Na16W3(NO3)4,-5.6813049843,-1.3172752809,0.2978863208,0.2978863208,GGA+U,P1,A4B16C12D3_aP35_1_4a_16a_12a_3a:N-Na-O-W,35.0,A4B16C12D3_aP35_1_4a_16a_12a_3a:N-Na-O-W +mp-19125,Na4W(NO)2,-6.1014744783,-1.1220746254,0.1493189572,0.1493189572,GGA+U,P-1,A2B4C2D_aP18_2_2i_4i_2i_i:N-Na-O-W,18.0,"Invalid WP multiplicities - A2B4C2D_aP18_2_3i_4i_4i_i:N-Na-O-W, expected Na4WN3O4 to be Na4W(NO)2" +mp-569098,RbNa11(WN3)4,-6.5822604972,-0.6037329144,0.0063865421,0.0063865421,GGA,Pbca,A12B11CD4_oP112_61_6c_a5c_b_2c:N-Na-Rb-W,112.0,"Invalid WP multiplicities - A12B11CD4_oP112_61_44c_4a32c_b_10c:N-Na-Rb-W, expected RbNa68(W5N22)4 to be RbNa11(WN3)4" +mp-1020630,Rb2Na(NO3)3,-6.253998455,-1.399780014,0.004414176,0.004414176,GGA,Pmc2_1,A3BC9D2_oP30_26_2ab_a_2ab3c_2b:N-Na-O-Rb,30.0,A3BC9D2_oP30_26_2ab_a_2ab3c_2b:N-Na-O-Rb +mp-1246505,Rb6WN4,-4.8661738805,-0.1218725745,0.2667931622,0.2667931622,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Rb-W,22.0,A4B6C_tP22_137_g_df_a:N-Rb-W +mp-1212601,Na3W6N2O31,-7.048249324,-1.0545184393,0.6080004163,0.6080004163,GGA+U,P-1,A2B3C31D6_aP42_2_i_ai_e15i_3i:N-Na-O-W,42.0,A2B3C31D6_aP42_2_i_ai_e15i_3i:N-Na-O-W +mp-571412,RbNa5(WN3)2,-6.5738781232,-0.6075645125,0.0,-0.0082977217,GGA,P2_1/c,A6B5CD2_mP112_14_12e_10e_2e_4e:N-Na-Rb-W,112.0,"Invalid WP multiplicities - A6B5CD2_mP112_14_45e_38e_6e_11e:N-Na-Rb-W, expected Rb6Na38W11N45 to be RbNa5(WN3)2" +mp-1029967,Rb15W7N19,-7.0436119734,-0.6092625521,0.0,-0.0386204991,GGA,P-1,A19B15C7_aP82_2_19i_bd14i_7i:N-Rb-W,82.0,A19B15C7_aP82_2_19i_bd14i_7i:N-Rb-W +mp-1221211,Na3WNO3,-6.6595596112,-1.6467762151,0.1180375621,0.1180375621,GGA+U,Pmn2_1,AB3C3D_oP16_31_a_ab_ab_a:N-Na-O-W,16.0,AB3C3D_oP16_31_a_ab_ab_a:N-Na-O-W +mp-1029857,Rb3W2N5,-7.6989406253,-0.6449068950000001,0.0,-0.0391350183,GGA,I4_1,A5B3C2_tI80_80_5b_2a2b_2b:N-Rb-W,40.0,A5B3C2_tI80_80_5b_2a2b_2b:N-Rb-W +mp-558401,Na5WNO4,-5.9782481195,-1.6424293498,0.048149167,0.048149167,GGA+U,Cmc2_1,AB5C4D_oC44_36_a_a2b_2b_a:N-Na-O-W,22.0,"Invalid WP multiplicities - AB5C4D_oC44_36_a_a6b_4b_a:N-Na-O-W, expected Na13WNO8 to be Na5WNO4" +mp-684951,Rb4NaW2N5O,-5.8838540565,0.099998665,0.9347863788,0.9347863788,GGA+U,P-1,A5BCD4E2_aP26_2_5i_i_i_4i_2i:N-Na-O-Rb-W,26.0,"Invalid WP multiplicities - A5BCD4E2_aP26_2_9i_i_i_7i_3i:N-Na-O-Rb-W, expected Rb7NaW3N9O to be Rb4NaW2N5O" +mp-1173505,Rb4NaW2N5O,-6.4984198546,-0.5145671331,0.3202205807,0.3202205807,GGA+U,P-1,A5BCD4E2_aP26_2_5i_i_i_4i_2i:N-Na-O-Rb-W,26.0,"Invalid WP multiplicities - A5BCD4E2_aP26_2_9i_i_i_7i_3i:N-Na-O-Rb-W, expected Rb7NaW3N9O to be Rb4NaW2N5O" +mp-1200920,CaC2(NO)2,-8.2542562907,-1.5357851282,0.0,-0.0512164127,GGA,R3c,A2BC2D2_hR126_161_2b_b_2b_2b:C-Ca-N-O,42.0,A2BC2D2_hR126_161_2b_b_2b_2b:C-Ca-N-O +mp-1147777,Ca2CoC(NO)2,-7.2569930163,-1.3926742262,0.3642736606,0.3642736606,GGA+U,P4/mmm,AB2CD2E2_tP8_123_a_h_b_g_e:C-Ca-Co-N-O,8.0,AB2CD2E2_tP8_123_a_h_b_g_e:C-Ca-Co-N-O +mp-1035124,LiMg14CO16,-6.1877559812,-2.6662394675,0.2648245728,0.2648245728,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Li-Mg-O, expected LiMg18CO20 to be LiMg14CO16" +mp-1035135,LiMg14CO16,-6.171957985,-2.6504414713,0.2806225691,0.2806225691,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Li-Mg-O, expected LiMg30CO32 to be LiMg14CO16" +mp-1021279,LiMg6C,-2.0788697919,0.5135387905000001,0.5484254382,0.5484254382,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:C-Li-Mg, expected LiMg12C to be LiMg6C" +mp-1021342,LiMg6C,-2.3385451512,0.2538634311,0.2887500789,0.2887500789,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Li-Mg,8.0,ABC6_oC16_38_a_b_abde:C-Li-Mg +mp-772750,Li3MgPCO7,-6.94080073,-2.5872747586,0.0496134742,0.0496134742,GGA,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Mg-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_4_a_5a_a_13a_a:C-Li-Mg-O-P, expected Li5MgPCO13 to be Li3MgPCO7" +mp-768190,Li3MgPCO7,-6.9450812146,-2.5915552432,0.0453329896,0.0453329896,GGA,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Mg-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_2ef_e_9e2f_e:C-Li-Mg-O-P, expected Li4MgPCO13 to be Li3MgPCO7" +mp-1040064,LiMg30CO32,-6.2552401761,-2.8577397289,0.1348124409,0.1348124409,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Li-Mg-O, expected LiMg90CO80 to be LiMg30CO32" +mp-1040007,LiMg30CO32,-6.2483127342,-2.850812287,0.1417398828,0.1417398828,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Li-Mg-O, expected LiMg110CO72 to be LiMg30CO32" +mp-1026802,LiMg14C,-1.8777317788,0.2186125374,0.2494312855,0.2494312855,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Li-Mg, expected LiMg18C to be LiMg14C" +mp-1026782,LiMg14C,-1.8279260794,0.2684182368,0.2992369848,0.2992369848,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Li-Mg, expected LiMg26C to be LiMg14C" +mp-1031129,LiMg6CO8,-6.0286679169,-2.2591192701,0.5489685113,0.5489685113,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Li-Mg-O, expected LiMg6CO12 to be LiMg6CO8" +mp-1031146,LiMg6CO8,-6.0604435525,-2.2908949057,0.5171928757,0.5171928757,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Li-Mg-O, expected LiMg6CO12 to be LiMg6CO8" +mp-616544,RbCr3S5,-6.7352242106,-1.1105657865,0.0,-0.0151824521,GGA,C2/m,A3BC5_mC36_12_ac2i_i_5i:Cr-Rb-S,18.0,"Invalid WP multiplicities - A3BC5_mC36_12_ac4i_i_10i:Cr-Rb-S, expected Rb(CrS2)5 to be RbCr3S5" +mp-1179805,RbCr(SO10)2,-5.5704745636,-0.6604639178,0.4054699622,0.4054699622,GGA+U,Pa-3,AB20CD2_cP96_205_a_c3d_b_c:Cr-O-Rb-S,96.0,AB20CD2_cP96_205_a_c3d_b_c:Cr-O-Rb-S +mp-1539137,RbCr5S8,-6.9350218964,-1.0537811566,0.0369105079,0.0151347843,GGA,Cm,A5BC8_mC28_8_5a_a_8a:Cr-Rb-S,14.0,A5BC8_mC28_8_5a_a_8a:Cr-Rb-S +mp-7295,RbCr5S8,-6.9719324043,-1.0906916645,0.0,-0.0217757236,GGA,C2/m,A5BC8_mC28_12_a2i_d_4i:Cr-Rb-S,14.0,A5BC8_mC28_12_a2i_c_4i:Cr-Rb-S +mp-1238891,Rb(CrS2)2,-6.0849397939,-0.8231642968,0.2984146375,0.2732902882,GGA,P-1,A2BC4_aP28_2_4i_2i_8i:Cr-Rb-S,28.0,A2BC4_aP28_2_4i_2i_8i:Cr-Rb-S +mp-1238878,Rb(CrS2)2,-6.311234,-1.0494585029,0.0721204314,0.0469960821,GGA,C2/m,A2BC4_mC14_12_i_a_2i:Cr-Rb-S,7.0,A2BC4_mC14_12_i_a_2i:Cr-Rb-S +mp-1238885,Rb(CrS2)2,-6.0919668493,-0.8301913521000001,0.2913875821,0.2662632329,GGA,Pca2_1,A2BC4_oP56_29_4a_2a_8a:Cr-Rb-S,56.0,A2BC4_oP56_29_4a_2a_8a:Cr-Rb-S +mp-1239181,Rb(CrS2)2,-6.3833544314,-1.1215789343,0.0,-0.0251243493,GGA,Pmmn,A2BC4_oP28_59_ce_ab_2eg:Cr-Rb-S,28.0,A2BC4_oP28_59_ce_ab_2eg:Cr-Rb-S +mp-1238799,Rb(CrS2)2,-6.3031348161,-1.0413593189,0.0802196154,0.0550952661,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Rb-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Rb-S +mp-1238882,Rb(CrS2)2,-6.2665736939,-1.0047981968,0.1167807375,0.0916563882,GGA,Pnma,A2BC4_oP28_62_2c_c_4c:Cr-Rb-S,28.0,A2BC4_oP28_62_2c_c_4c:Cr-Rb-S +mp-1238796,Rb(CrS2)2,-6.0979959329,-0.8362204357,0.2853584986,0.2602341493,GGA,I4_1/amd,A2BC4_tI28_141_c_b_h:Cr-Rb-S,14.0,A2BC4_tI28_141_c_b_h:Cr-Rb-S +mp-1238779,Rb(CrS2)2,-6.0768995543,-0.8151240571,0.3064548771,0.2813305279,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Cr-Rb-S,14.0,A2BC4_cF56_227_c_b_e:Cr-Rb-S +mp-1209246,RbCr(SO4)2,-6.9698861475000005,-2.096553567,0.0353141929,-0.0081235994,GGA+U,P321,AB8CD2_hP12_150_a_dg_b_d:Cr-O-Rb-S,24.0,AB8CD2_hP12_150_a_dg_b_d:Cr-O-Rb-S +mp-1209234,RbCr(SO4)2,-7.0052003404,-2.1318677599,0.0,-0.0434377923,GGA+U,P-3c1,AB8CD2_hP24_165_b_dg_a_d:Cr-O-Rb-S,48.0,AB8CD2_hP24_165_b_dg_a_d:Cr-O-Rb-S +mp-24108,RbCrH24(SO10)2,-5.6401000081,-1.4887316626,0.0057757927,0.0057757927,GGA+U,Pa-3,AB24C20DE2_cP192_205_a_4d_c3d_b_c:Cr-H-O-Rb-S,192.0,"Invalid WP multiplicities - AB24C20DE2_cP192_205_a_6d_c3d_b_c:Cr-H-O-Rb-S, expected RbCrH36(SO10)2 to be RbCrH24(SO10)2" +mp-1105975,RbSb3S5O,-4.467164179,-0.5675165952,0.3720393504,0.3720393504,GGA,P-1,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb,20.0,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb +mp-1179718,RbSb3S5O,-4.2848280625,-0.3851804787,0.5543754669000001,0.5543754669000001,GGA,P-1,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb,20.0,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb +mp-1179756,RbSb3S5O,-4.336004198,-0.4363566142,0.5031993314000001,0.5031993314000001,GGA,P-1,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb,20.0,ABC5D3_aP20_2_i_i_5i_3i:O-Rb-S-Sb +mp-1195699,Sb2PS2O13,-6.4826525864,-1.6909215882000002,0.218726348,0.218726348,GGA,P-1,A13BC2D2_aP36_2_13i_i_2i_2i:O-P-S-Sb,36.0,A13BC2D2_aP36_2_13i_i_2i_2i:O-P-S-Sb +mp-1209255,RbSb2PO8,-6.7389536923,-2.2201746299,0.0,-0.0333015814,GGA,Cc,A8BCD2_mC96_9_16a_2a_2a_4a:O-P-Rb-Sb,48.0,"Invalid WP multiplicities - A8BCD2_mC96_15_14f_f_f_4f:O-P-Rb-Sb, expected RbSb4PO14 to be RbSb2PO8" +mp-1203153,Rb4PS3O16,-6.1140549058,-1.9102295818,0.1031567202,0.1031567202,GGA,P2_12_12,A16BC4D3_oP48_18_8c_a_abc_bc:O-P-Rb-S,48.0,A16BC4D3_oP48_18_8c_a_abc_bc:O-P-Rb-S +mp-1195172,RbSb2P(SO6)2,-6.6758392053,-2.1044501315,0.0,-0.0208080174,GGA,P-1,A12BCD2E2_aP36_2_12i_i_i_2i_2i:O-P-Rb-S-Sb,36.0,A12BCD2E2_aP36_2_12i_i_i_2i_2i:O-P-Rb-S-Sb +mp-1197769,RbSb4S7O,-4.4416851083,-0.487963815,0.3552160915,0.3552160915,GGA,P2_1/c,ABC7D4_mP52_14_e_e_7e_4e:O-Rb-S-Sb,52.0,ABC7D4_mP52_14_e_e_7e_4e:O-Rb-S-Sb +mp-1219832,Rb2PSO8,-6.2084527317,-1.9514252143,0.1352176653,0.1352176653,GGA,P-1,A8BC2D_aP24_2_8i_i_2i_i:O-P-Rb-S,24.0,"Invalid WP multiplicities - A8BC2D_aP24_2_16i_i_4i_i:O-P-Rb-S, expected Rb4PSO16 to be Rb2PSO8" +mp-759981,NaCu(PO3)3,-7.0962876166,-2.369013482,0.019008263,0.019008263,GGA,P-1,ABC9D3_aP56_2_2i_2i_18i_6i:Cu-Na-O-P,56.0,"Invalid WP multiplicities - ABC9D3_aP56_2_3i_3i_35i_11i:Cu-Na-O-P, expected Na3Cu3P11O35 to be NaCu(PO3)3" +mp-761042,NaCu(PO3)3,-7.1037707795,-2.3764966448,0.0115251002,0.0115251002,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Cu-Na-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Cu-Na-O-P, expected NaCu(P3O11)3 to be NaCu(PO3)3" +mp-756517,Na3CuBPO7,-6.4377174119,-2.2233868114,0.0575724482,0.0575724482,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cu-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Cu-Na-O-P, expected Na4CuBPO13 to be Na3CuBPO7" +mp-554777,NaCuPO4,-6.5286195457,-2.154078215,0.0270370864,0.0270370864,GGA,P2_1/c,ABC4D_mP28_14_ad_e_4e_e:Cu-Na-O-P,28.0,"Invalid WP multiplicities - ABC4D_mP28_14_2ad_e_11e_e:Cu-Na-O-P, expected Na2Cu3(PO11)2 to be NaCuPO4" +mp-581303,NaCuPO4,-6.5370872768,-2.1625459461,0.0185693554,0.0185693554,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:Cu-Na-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_19_a_a_11a_a:Cu-Na-O-P, expected NaCuPO11 to be NaCuPO4" +mp-7639,Na2CuP,-3.4061099775,-0.3667200366,0.0,-0.1056865103,GGA,Cmcm,AB2C_oC16_63_a_g_c:Cu-Na-P,8.0,AB2C_oC16_63_a_g_c:Cu-Na-P +mp-557171,Na2Cu(PO3)4,-7.0798703792,-2.4610423888,0.0,-0.0125022708,GGA,C2/c,AB2C12D4_mC76_15_e_f_2e5f_2f:Cu-Na-O-P,38.0,"Invalid WP multiplicities - AB2C12D4_mC76_15_e_f_4e17f_4f:Cu-Na-O-P, expected Na2Cu(P4O19)2 to be Na2Cu(PO3)4" +mp-556822,Na2CuP2O7,-6.7289974202,-2.3791904828,0.0082055206,-0.0134346652,GGA,P2_1/c,AB2C7D2_mP48_14_e_2e_7e_2e:Cu-Na-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_mP48_14_e_5e_24e_6e:Cu-Na-O-P, expected Na5Cu(PO4)6 to be Na2CuP2O7" +mp-6467,Na2CuP2O7,-6.7372029408,-2.3873960034,0.0,-0.0216401858,GGA,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Cu-Na-O-P,24.0,AB2C7D2_mC48_15_c_f_e3f_f:Cu-Na-O-P +mp-760251,Na2CuP2O7,-6.7037580667,-2.3539511293,0.0334448742,0.0118046884,GGA,C2/c,AB2C7D2_mC48_15_a_f_e3f_f:Cu-Na-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_e10f_f:Cu-Na-O-P, expected Na2CuP2O21 to be Na2CuP2O7" +mp-560368,Na6Cu9(PO4)8,-6.5869354213,-2.1064177739,0.0006779493,0.0006779493,GGA,P-1,A9B6C32D8_aP55_2_bcd3i_3i_16i_4i:Cu-Na-O-P,55.0,"Invalid WP multiplicities - A9B6C32D8_aP55_2_bcd6i_6i_29i_7i:Cu-Na-O-P, expected Na12Cu15(P7O29)2 to be Na6Cu9(PO4)8" +mp-1193249,Na5Cu3(PO4)4,-6.4979662696,-2.2225921309,0.0262902899,0.0262902899,GGA,P-1,A3B5C16D4_aP28_2_bi_d2i_8i_2i:Cu-Na-O-P,28.0,A3B5C16D4_aP28_2_bi_d2i_8i_2i:Cu-Na-O-P +mp-1386638,Na5Cu3(PO4)4,-4.2362153675,0.0391587712,2.288041192,2.288041192,GGA,P-1,A3B5C16D4_aP28_2_bi_e2i_8i_2i:Cu-Na-O-P,28.0,A3B5C16D4_aP28_2_bi_e2i_8i_2i:Cu-Na-O-P +mp-754637,NaCuP2O7,-6.84310485,-2.2180904904,0.0150689623,0.0085553468,GGA,Cc,ABC7D2_mC44_9_a_a_7a_2a:Cu-Na-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_14a_4a:Cu-Na-O-P, expected NaCu(P2O7)2 to be NaCuP2O7" +mp-755492,NaCuP2O7,-6.8581738123,-2.2331594527,0.0,-0.0065136154,GGA,Cc,ABC7D2_mC44_9_a_a_7a_2a:Cu-Na-O-P,22.0,"Invalid WP multiplicities - ABC7D2_mC44_9_a_a_12a_2a:Cu-Na-O-P, expected NaCu(PO6)2 to be NaCuP2O7" +mp-760957,NaCuP2O7,-6.8407772714,-2.2157629118,0.0173965409,0.0108829255,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Cu-Na-O-P,44.0,"Invalid WP multiplicities - ABC7D2_mP44_14_e_e_25e_5e:Cu-Na-O-P, expected NaCu(PO5)5 to be NaCuP2O7" +mp-776597,NaCu(PO3)4,-7.1309160067,-2.3289600886,0.0060720716,0.0060720716,GGA,Cc,ABC12D4_mC72_9_a_a_12a_4a:Cu-Na-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_9_a_a_24a_8a:Cu-Na-O-P, expected NaCu(PO3)8 to be NaCu(PO3)4" +mp-722022,BiC4S2Cl3O2,-5.1763090458,0.1959441405,1.1792514915,1.1792514915,GGA,C2,AB4C3D2E2_mC48_5_c_4c_3c_2c_2c:Bi-C-Cl-O-S,24.0,AB4C3D2E2_mC48_5_c_4c_3c_2c_2c:Bi-C-Cl-O-S +mp-1191992,BiC4S2Cl3O2,-5.502125285,-0.1298720986,0.8534352523000001,0.8534352523000001,GGA,C2,AB4C3D2E2_mC48_5_c_4c_3c_2c_2c:Bi-C-Cl-O-S,24.0,AB4C3D2E2_mC48_5_c_4c_3c_2c_2c:Bi-C-Cl-O-S +mp-1203403,C121(SCl10)2,-7.9283921726,0.1968676702,0.3152495097,0.3152495097,GGA,P2_1/c,A121B20C2_mP286_14_a60e_10e_e:C-Cl-S,286.0,A121B20C2_mP286_14_a60e_10e_e:C-Cl-S +mp-1214681,C10S(Cl4O)3,-5.6433762633,-0.5108527692,0.182861189,0.182861189,GGA,P2_1/c,A10B12C3D_mP104_14_10e_12e_3e_e:C-Cl-O-S,104.0,A10B12C3D_mP104_14_10e_12e_3e_e:C-Cl-O-S +mp-554711,CSCl2,-4.6152708969,-0.349723727,0.1606379511,0.1606379511,GGA,P2_1/c,AB2C_mP16_14_e_2e_e:C-Cl-S,16.0,"Invalid WP multiplicities - AB2C_mP16_14_e_7e_e:C-Cl-S, expected CSCl7 to be CSCl2" +mp-29477,C2S7Cl6,-4.4178331267,-0.5175864591,0.006898353,0.006898353,GGA,P-1,A2B6C7_aP30_2_2i_6i_7i:C-Cl-S,30.0,"Invalid WP multiplicities - A2B6C7_aP30_2_3i_8i_10i:C-Cl-S, expected C3(S5Cl4)2 to be C2S7Cl6" +mp-1521291,BaEuYVO6,-8.880824325,-3.1401757059,0.1476809834,0.1476809834,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-V-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Eu-O-V-Y +mp-776444,KLiTi2(PO5)2,-7.9774520244,-3.0334646511,0.0188992597,0.0188992597,GGA,Pna2_1,ABC10D2E2_oP64_33_a_a_10a_2a_2a:K-Li-O-P-Ti,64.0,"Invalid WP multiplicities - ABC10D2E2_oP64_33_a_a_37a_5a_5a:K-Li-O-P-Ti, expected KLiTi5P5O37 to be KLiTi2(PO5)2" +mp-774482,KLiTi2(PO5)2,-7.9658487005,-3.0218613272,0.0305025836,0.0305025836,GGA,Pna2_1,ABC10D2E2_oP64_33_a_a_10a_2a_2a:K-Li-O-P-Ti,64.0,"Invalid WP multiplicities - ABC10D2E2_oP64_33_a_a_37a_5a_5a:K-Li-O-P-Ti, expected KLiTi5P5O37 to be KLiTi2(PO5)2" +mp-766028,K4Li5Ti8(PO5)8,-7.8919515405,-2.9946574673,0.0429398485,0.0429398485,GGA,P1,A4B5C40D8E8_aP65_1_4a_5a_40a_8a_8a:K-Li-O-P-Ti,65.0,A4B5C40D8E8_aP65_1_4a_5a_40a_8a_8a:K-Li-O-P-Ti +mp-1044377,CaTiP3WO12,-8.3439917031,-2.8740253596,0.0259843428,0.0259843428,GGA+U,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Ca-O-P-Ti-W,36.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_18b_b_a_a:Ca-O-P-Ti-W, expected CaTiP3WO54 to be CaTiP3WO12" +mp-17447,Sr10P6SO24,-7.5022003849,-3.3014265188,0.0,-0.0255794763,GGA,P-3,A24B6CD10_hP41_147_4g_g_a_2dg:O-P-S-Sr,41.0,"Invalid WP multiplicities - A24B6CD10_hP41_147_9g_g_a_2dg:O-P-S-Sr, expected Sr10P6SO54 to be Sr10P6SO24" +mp-1179257,SrP2S2O9,-5.8296332218,-1.1646906074,1.2501334872,1.2501334872,GGA,P-1,A9B2C2D_aP28_2_9i_2i_2i_i:O-P-S-Sr,28.0,A9B2C2D_aP28_2_9i_2i_2i_i:O-P-S-Sr +mp-8877,Sr4Al6SO12,-7.4077374726,-3.3760790728,0.0,-0.0086991332,GGA,I-43m,A6B12CD4_cI46_217_d_g_a_c:Al-O-S-Sr,23.0,A6B12CD4_cI46_217_d_g_a_c:Al-O-S-Sr +mp-1218535,SrAl3PSO14,-6.8971732755,-2.3106925118,0.3150394084,0.3150394084,GGA,R3m,A3B14CDE_hR60_160_b_2a4b_a_a_a:Al-O-P-S-Sr,20.0,A3B14CDE_hR60_160_b_2a4b_a_a_a:Al-O-P-S-Sr +mp-696076,Sr(AlS2)2,-5.4181405111,-1.7429341424,0.0102475182,-0.0883836987,GGA,P1,A2B4C_aP56_1_16a_32a_8a:Al-S-Sr,56.0,A2B4C_aP56_1_16a_32a_8a:Al-S-Sr +mp-1104378,Sr(AlS2)2,-5.4219839507,-1.746777582,0.0064040786,-0.0922271383,GGA,Cccm,A2B4C_oC28_66_l_kl_a:Al-S-Sr,14.0,A2B4C_oC28_66_l_kl_a:Al-S-Sr +mp-14424,Sr(AlS2)2,-5.4283880293,-1.7531816606,0.0,-0.0986312169,GGA,Fddd,A2B4C_oF224_70_2h_4h_abe:Al-S-Sr,56.0,A2B4C_oF224_70_2h_4h_abe:Al-S-Sr +mp-14161,Sr4Al6SO16,-7.4501521407,-3.2829336948,0.0046361228,0.0046361228,GGA,I-43m,A6B16CD4_cI54_217_d_cg_a_c:Al-O-S-Sr,27.0,"Invalid WP multiplicities - A6B16CD4_cI54_217_d_c2g_a_c:Al-O-S-Sr, expected Sr4Al6SO28 to be Sr4Al6SO16" +mp-1192704,MnV2HPb2O9,-7.551423082,-2.0402200141,0.0,-0.0025907222,GGA+U,P2_1/m,ABC9D2E2_mP30_11_e_a_5e2f_2e_2e:H-Mn-O-Pb-V,30.0,ABC9D2E2_mP30_11_e_a_5e2f_2e_2e:H-Mn-O-Pb-V +mp-757573,MnVHPbO5,-7.5811618536,-2.016190961,0.0,-0.0232679679,GGA+U,Pnma,ABC5DE_oP36_62_c_a_3cd_c_c:H-Mn-O-Pb-V,36.0,"Invalid WP multiplicities - ABC5DE_oP36_62_c_a_9c4d_c_c:H-Mn-O-Pb-V, expected MnVHPbO17 to be MnVHPbO5" +mp-1021653,Mg6VSb,-2.8050363,0.0467871513,0.1990963334,0.1990963334,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sb-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sb-V, expected Mg12VSb to be Mg6VSb" +mp-1021658,Mg6VSb,-2.8203084331,0.0315150181,0.1838242003,0.1838242003,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sb-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sb-V, expected Mg12VSb to be Mg6VSb" +mp-1028281,Mg14VSb,-2.19977978,0.0262719706,0.1138554685,0.1138554685,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sb-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sb-V, expected Mg18VSb to be Mg14VSb" +mp-1028271,Mg14VSb,-2.1927777675,0.0332739831,0.120857481,0.120857481,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sb-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sb-V, expected Mg26VSb to be Mg14VSb" +mp-1233943,MgV4Sb2(PO4)6,-7.83555967,-2.5005799154,0.1205800819,0.1205800819,GGA+U,P1,AB24C6D2E4_aP37_1_a_24a_6a_2a_4a:Mg-O-P-Sb-V,37.0,AB24C6D2E4_aP37_1_a_24a_6a_2a_4a:Mg-O-P-Sb-V +mp-1233069,MgV4Sb2(PO4)6,-7.8654864541,-2.5305066995,0.0906532978,0.0906532978,GGA+U,C2,AB24C6D2E4_mC74_5_a_12c_ab2c_c_2c:Mg-O-P-Sb-V,37.0,"Invalid WP multiplicities - AB24C6D2E4_mC74_5_a_24c_ab2c_c_2c:Mg-O-P-Sb-V, expected MgV4Sb2(PO8)6 to be MgV4Sb2(PO4)6" +mp-1234578,MgV4Sb2(PO4)6,-7.8459043619,-2.5109246073,0.11023539,0.11023539,GGA+U,R32,AB24C6D2E4_hR111_155_a_4f_de_c_2c:Mg-O-P-Sb-V,37.0,"Invalid WP multiplicities - AB24C6D2E4_hR111_155_a_18f_de_c_2c:Mg-O-P-Sb-V, expected MgV4Sb2(PO18)6 to be MgV4Sb2(PO4)6" +mp-2210683,MgVSbO4,-6.9297592229,-1.9869103364,0.452062231,0.452062231,GGA+U,P2,AB4CD_mP7_3_a_2e_b_c:Mg-O-Sb-V,7.0,AB4CD_mP7_3_b_2e_a_c:Mg-O-Sb-V +mp-2210742,MgVSbO4,-7.0225543757,-2.0797054893,0.3592670782,0.3592670782,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_b_a:Mg-O-Sb-V,7.0,AB4CD_oC14_38_a_2bd_b_a:Mg-O-Sb-V +mp-2210764,MgVSbO4,-6.9371716729,-1.9943227864,0.444649781,0.444649781,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Sb-V,7.0,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Sb-V +mp-2232802,MgV(SbO3)4,-6.7851617933,-1.9762475925,0.1895396449,0.1895396449,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V +mp-2232713,MgV(SbO3)4,-6.7241953056,-1.9152811047,0.2505061327,0.2505061327,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V +mp-2233299,MgV(SbO3)4,-6.8061902778,-1.9972760769,0.1685111605,0.1685111605,GGA+U,P1,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V,18.0,AB12C4D_aP18_1_a_12a_4a_a:Mg-O-Sb-V +mp-2218724,MgV2(SbO4)2,-7.3596431354,-2.1596735692,0.1856098536,0.1856098536,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Sb-V,13.0,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-Sb-V +mp-2218294,MgV2(SbO4)2,-7.2728940777,-2.0729245115,0.2723589113,0.2723589113,GGA+U,Cm,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Sb-V,13.0,AB8C2D2_mC26_8_a_4a2b_2a_2a:Mg-O-Sb-V +mp-1345395,Mg2VSbO6,-7.111978262,-2.5026182943,0.0747146651,0.0747146651,GGA+U,P2_1/m,A2B6CD_mP20_11_2e_2e2f_a_d:Mg-O-Sb-V,20.0,"Invalid WP multiplicities - A2B6CD_mP20_11_2e_4e6f_a_c:Mg-O-Sb-V, expected Mg2VSbO16 to be Mg2VSbO6" +mp-18520,BaVPO6,-7.9953473033,-2.8735344384,0.0,-0.0125912778,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Ba-O-P-V,36.0,AB6CD_mP36_14_e_6e_e_e:Ba-O-P-V +mp-19512,BaV2(PO5)2,-8.1779552863,-2.8192700059,0.0,-0.0061307967,GGA+U,P2_1/c,AB10C2D2_mP60_14_e_10e_2e_2e:Ba-O-P-V,60.0,"Invalid WP multiplicities - AB10C2D2_mP60_14_e_13e_2e_2e:Ba-O-P-V, expected BaV2P2O13 to be BaV2(PO5)2" +mp-557348,BaV2(P2O7)2,-8.1406222707,-2.8552108867,0.0,-0.0313078136,GGA+U,P-1,AB14C4D2_aP21_2_a_7i_2i_i:Ba-O-P-V,42.0,AB14C4D2_aP21_2_a_7i_2i_i:Ba-O-P-V +mp-17519,BaV2(P2O7)2,-8.1282705545,-2.8428591705,0.0123517162,-0.0189560974,GGA+U,C2/c,AB14C4D2_mC84_15_c_7f_2f_ae:Ba-O-P-V,42.0,"Invalid WP multiplicities - AB14C4D2_mC84_15_a_8f_2f_ce:Ba-O-P-V, expected BaV2(PO4)4 to be BaV2(P2O7)2" +mp-554084,BaBi6(PO5)4,-7.0956054923,-2.4004798803,0.0,-0.0094960059,GGA,P-1,AB6C20D4_aP31_2_a_3i_10i_2i:Ba-Bi-O-P,31.0,"Invalid WP multiplicities - AB6C20D4_aP31_2_a_3i_20i_3i:Ba-Bi-O-P, expected BaBi6(P3O20)2 to be BaBi6(PO5)4" +mp-560918,Ba2V5(PO6)4,-8.1101996559,-2.692164818,0.0,-0.0003881995,GGA+U,Cm,A2B24C4D5_mC140_8_2ab_4a22b_4b_2a4b:Ba-O-P-V,70.0,"Invalid WP multiplicities - A2B24C4D5_mC140_8_2a2b_4a44b_8b_2a8b:Ba-O-P-V, expected Ba3V9(P4O23)2 to be Ba2V5(PO6)4" +mp-1228539,Ba2V(PO5)2,-7.6765921413,-2.7955689363,0.1108004835,0.1108004835,GGA+U,Cm,A2B10C2D_mC30_8_2a_6a2b_2a_a:Ba-O-P-V,,A2B10C2D_mC30_8_2a_6a2b_2a_a:Ba-O-P-V +mp-1228744,Ba3V4(PO4)6,-8.1538207661,-2.9296885172,0.0,-0.0060734774,GGA+U,P2_1,A3B24C6D4_mP74_4_3a_24a_6a_4a:Ba-O-P-V,74.0,"Invalid WP multiplicities - A3B24C6D4_mP74_4_3a_48a_12a_4a:Ba-O-P-V, expected Ba3V4(PO4)12 to be Ba3V4(PO4)6" +mp-728140,BaV2P4O17,-7.6372359594,-2.3941649095,0.1830928802,0.1830928802,GGA+U,P2_1,AB17C4D2_mP48_4_a_17a_4a_2a:Ba-O-P-V,48.0,AB17C4D2_mP48_4_a_17a_4a_2a:Ba-O-P-V +mp-1013691,Ba3BiP,-3.857570978,-0.8554276867,0.1010195049,0.1010195049,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ba-Bi-P,5.0,A3BC_cP5_221_c_a_b:Ba-Bi-P +mp-1013713,Ba3BiP,-3.163351586,-0.1612082947,0.7952388969,0.7952388969,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Ba-Bi-P,5.0,A3BC_cP5_221_c_b_a:Ba-Bi-P +mp-555231,Ba3Bi2(PO4)4,-7.4654716296,-2.8959463301,0.0,-0.0121499688,GGA,C2/c,A3B2C16D4_mC100_15_ef_f_8f_2f:Ba-Bi-O-P,50.0,"Invalid WP multiplicities - A3B2C16D4_mC100_15_e2f_f_32f_6f:Ba-Bi-O-P, expected Ba5Bi2(P3O16)4 to be Ba3Bi2(PO4)4" +mp-558477,Ba3V2(PO5)3,-7.9668089401,-2.9944187163,0.004251734,0.004251734,GGA+U,P2_12_12_1,A3B15C3D2_oP92_19_3a_15a_3a_2a:Ba-O-P-V,92.0,"Invalid WP multiplicities - A3B15C3D2_oP92_19_9a_55a_9a_7a:Ba-O-P-V, expected Ba9V7P9O55 to be Ba3V2(PO5)3" +mp-1228794,Ba2V2BiPO11,-7.7778019635,-2.7382061117000003,0.0147653835,0.0147653835,GGA+U,P2_1/c,A2BC11DE2_mP68_14_2e_e_11e_e_2e:Ba-Bi-O-P-V,68.0,A2BC11DE2_mP68_14_2e_e_11e_e_2e:Ba-Bi-O-P-V +mp-554810,Ba2VP2O9,-7.9554478411,-3.0791150293,0.0,-0.0140554304,GGA+U,C2/c,A2B9C2D_mC56_15_f_e4f_f_e:Ba-O-P-V,56.0,A2B9C2D_mC56_15_f_e4f_f_e:Ba-O-P-V +mp-863001,Ba2VP2O11,-7.4219941044,-2.5368668052,0.1878545259,0.1878545259,GGA+U,P2_1,A2B11C2D_mP32_4_2a_11a_2a_a:Ba-O-P-V,32.0,A2B11C2D_mP32_4_2a_11a_2a_a:Ba-O-P-V +mp-772437,V3Bi2(PO4)6,-7.772702014,-2.4546151403,0.0900451001,0.0900451001,GGA+U,R3,A2B24C6D3_hR105_146_2a_8b_2b_3a:Bi-O-P-V,35.0,"Invalid WP multiplicities - A2B24C6D3_hR105_146_2a_18b_2b_3a:Bi-O-P-V, expected V3Bi2(PO9)6 to be V3Bi2(PO4)6" +mp-1182505,BaV2(PO7)2,-7.1758980189,-1.9039488584,0.378609019,0.378609019,GGA+U,Pc,AB14C2D2_mP38_7_a_14a_2a_2a:Ba-O-P-V,38.0,AB14C2D2_mP38_7_a_14a_2a_2a:Ba-O-P-V +mp-1228520,Ba3V2Ni6(PO6)4,-7.5470187136,-2.4449854793,0.0048752982,0.0048752982,GGA+U,P1,A3B6C24D4E2_aP39_1_3a_6a_24a_4a_2a:Ba-Ni-O-P-V,39.0,A3B6C24D4E2_aP39_1_3a_6a_24a_4a_2a:Ba-Ni-O-P-V +mp-1214404,BaNiP2O7,-7.5734415036,-2.7413926298,0.0,-0.0155246818,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Ba-Ni-O-P,44.0,ABC7D2_aP22_2_i_i_7i_2i:Ba-Ni-O-P +mp-3202,BaNi9P5,-6.0679786163,-0.6675307768000001,0.0,-0.0590132979,GGA,P6_3/mmc,AB9C5_hP30_194_a_hk_fh:Ba-Ni-P,30.0,"Invalid WP multiplicities - AB9C5_hP30_194_a_h2k_f2h:Ba-Ni-P, expected BaNi15P8 to be BaNi9P5" +mp-571420,Ba(NiP2)2,-5.6743364071,-0.655413789,0.0,-0.028124325,GGA,Immm,AB2C4_oI14_71_b_f_gi:Ba-Ni-P,7.0,AB2C4_oI14_71_b_f_gi:Ba-Ni-P +mp-28927,Ba(NiP2)2,-5.6739134329,-0.6549908148,0.0004229743,-0.0277013507,GGA,I4/mmm,AB2C4_tI14_139_a_d_j:Ba-Ni-P,7.0,AB2C4_tI14_139_a_d_j:Ba-Ni-P +mp-19491,Ba2Ni(PO4)2,-7.5358561025,-2.9190713899,0.0,-0.0020485598,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Ba-Ni-O-P,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_2e_e_11e_2e:Ba-Ni-O-P, expected Ba2NiP2O11 to be Ba2Ni(PO4)2" +mp-14765,Ba(Ni5P3)2,-6.0598279447,-0.6362893106,0.005748858,0.005748858,GGA,Cmce,AB10C6_oC68_64_a_e2fg_e2f:Ba-Ni-P,34.0,"Invalid WP multiplicities - AB10C6_oC68_64_a_3e4fg_2e2f:Ba-Ni-P, expected Ba(Ni9P4)2 to be Ba(Ni5P3)2" +mp-18909,BaNi2(PO4)2,-7.4523544585,-2.5385573044000003,0.0,-0.0228144307,GGA+U,R-3,AB2C8D2_hR39_148_a_c_cf_c:Ba-Ni-O-P,13.0,AB2C8D2_hR39_148_a_c_cf_c:Ba-Ni-O-P +mp-9473,Ba(NiP)2,-5.63624294,-0.7750722773000001,0.0,-0.0072404639,GGA,I4/mmm,AB2C2_tI10_139_a_d_e:Ba-Ni-P,5.0,AB2C2_tI10_139_a_d_e:Ba-Ni-P +mp-28103,USCl9,-4.4118239464,-1.4968521448,0.0136640334,0.0136640334,GGA,P2_12_12_1,A9BC_oP44_19_9a_a_a:Cl-S-U,44.0,A9BC_oP44_19_9a_a_a:Cl-S-U +mp-1105330,Cs5U2S4ICl8,-5.0160229785,-2.0226584296,0.0,-0.0282798281,GGA,Immm,A8B5CD4E2_oI40_71_ln_bl_a_m_g:Cl-Cs-I-S-U,20.0,A8B5CD4E2_oI40_71_ln_bl_a_m_g:Cl-Cs-I-S-U +mp-604978,NiAs3H3OF18,-4.8788077142,-2.213846939,0.0278424446,0.0278424446,GGA+U,Pnma,A3B18C3DE_oP104_62_cd_4c7d_cd_a_c:As-F-H-Ni-O,104.0,"Invalid WP multiplicities - A3B18C3DE_oP104_62_3c4d_15c50d_4c5d_a_c:As-F-H-Ni-O, expected NiAs11H14OF115 to be NiAs3H3OF18" +mp-1214431,CdSn3F6,-3.901419851,-1.459371938,0.8533207262,0.8533207262,GGA,P-1,AB6C3_aP10_2_a_3i_bcd:Cd-F-Sn,10.0,AB6C3_aP10_2_a_3i_bcd:Cd-F-Sn +mp-13907,CdSnF6,-4.7684359912000005,-2.7182690637,0.0,-0.0945544962,GGA,R-3,AB6C_hR24_148_a_f_b:Cd-F-Sn,8.0,AB6C_hR24_148_a_f_b:Cd-F-Sn +mp-1183864,CdSn2H12(OF)6,-5.0589257537,-1.6958238247,0.0055490374,0.0055490374,GGA,P-1,AB6C12D6E2_aP27_2_a_3i_6i_3i_i:Cd-F-H-O-Sn,27.0,"Invalid WP multiplicities - AB6C12D6E2_aP27_2_a_5i_11i_5i_i:Cd-F-H-O-Sn, expected CdSn2H22(OF)10 to be CdSn2H12(OF)6" +mp-1021959,KMg6Ni,-1.7925863275,0.2689406634,0.3445550336,0.3445550336,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Ni,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:K-Mg-Ni, expected KMg12Ni to be KMg6Ni" +mp-1022109,KMg6Ni,-1.8572566,0.2042703909,0.2798847611,0.2798847611,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Ni,8.0,AB6C_oC16_38_a_abde_b:K-Mg-Ni +mp-550959,KNiIO6,-5.3001037233,-1.0729888073,0.0,-0.0151499964,GGA+U,P312,ABCD6_hP9_149_a_d_e_l:I-K-Ni-O,9.0,ABCD6_hP9_149_a_d_e_l:I-K-Ni-O +mp-1028396,KMg14Ni,-1.7044360288,0.1264674917,0.1749539316,0.1749539316,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Ni, expected KMg18Ni to be KMg14Ni" +mp-1028366,KMg14Ni,-1.6919692294000002,0.1389342911,0.187420731,0.187420731,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Ni,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Ni, expected KMg26Ni to be KMg14Ni" +mp-2222790,KMgNiIO6,-5.463041395,-1.4986099656,0.132182293,0.0674212284,GGA+U,P312,ABCDE6_hP10_149_a_d_b_e_l:I-K-Mg-Ni-O,10.0,ABCDE6_hP10_149_a_d_b_e_l:I-K-Mg-Ni-O +mp-2222843,KMgNiIO6,-5.595223688,-1.6307922586,0.0,-0.0647610646,GGA+U,P312,ABCDE6_hP10_149_c_b_a_e_l:I-K-Mg-Ni-O,10.0,ABCDE6_hP10_149_c_b_a_e_l:I-K-Mg-Ni-O +mp-2239943,KMgNiIO6,-5.364763124,-1.4003316945,0.230460564,0.1656994994,GGA+U,P312,ABCDE6_hP10_149_c_f_b_a_l:I-K-Mg-Ni-O,10.0,ABCDE6_hP10_149_c_f_b_a_l:I-K-Mg-Ni-O +mp-23024,SrBrF,-5.1406855283,-3.4226852781,0.0,-0.0258739642,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-F-Sr,6.0,ABC_tP6_129_c_a_c:Br-F-Sr +mp-534901,Sr10P6BrO24F,-7.4497611639,-3.3650043558,0.0005685242,0.0005685242,GGA,P2_1/m,ABC24D6E10_mP84_11_a_e_12e6f_6e_6e2f:Br-F-O-P-Sr,84.0,"Invalid WP multiplicities - ABC24D6E10_mP84_11_a_e_23e12f_11e_12e3f:Br-F-O-P-Sr, expected Sr18P11BrO47F to be Sr10P6BrO24F" +mp-1218918,Sr10P6BrO24F,-7.4406468738,-3.3558900657,0.0096828143,0.0096828143,GGA,P3,ABC24D6E10_hP42_143_a_a_8d_2d_2b2c2d:Br-F-O-P-Sr,42.0,ABC24D6E10_hP42_143_a_a_8d_2d_2b2c2d:Br-F-O-P-Sr +mp-1207250,Sr2Br2F,-3.369742212,-1.6904377052,1.1314927148,1.1314927148,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-F-Sr,5.0,A2BC2_tP5_123_g_a_g:Br-F-Sr +mp-1218956,Sr20P12Br(O16F)3,-7.4827585829,-3.3937345052,0.004604484,0.004604484,GGA,P1,AB3C48D12E20_aP84_1_a_3a_48a_12a_20a:Br-F-O-P-Sr,84.0,AB3C48D12E20_aP84_1_a_3a_48a_12a_20a:Br-F-O-P-Sr +mp-729560,Sr20P12Br(O16F)3,-7.4812222162,-3.3921981386,0.0061408507,0.0061408507,GGA,P3,AB3C48D12E20_hP168_143_2a_6a_32d_8d_8b8c8d:Br-F-O-P-Sr,168.0,"Invalid WP multiplicities - AB3C48D12E20_hP168_143_2a_6a_96d_24d_8b8c24d:Br-F-O-P-Sr, expected Sr44P36Br(O48F)3 to be Sr20P12Br(O16F)3" +mp-1219029,Sr20P12Br3O48F,-7.4034784723,-3.3229889336,0.009817837,0.009817837,GGA,P-3,A3BC48D12E20_hP84_147_ac_b_8g_2g_4d2g:Br-F-O-P-Sr,84.0,"Invalid WP multiplicities - A3BC48D12E20_hP84_147_ac_b_48g_12g_8d12g:Br-F-O-P-Sr, expected Sr88P72Br3O288F to be Sr20P12Br3O48F" +mp-1199990,Ag2C4I3N,-4.6787064365,0.8549303587,1.0889145758,1.0889145758,GGA,Pnma,A2B4C3D_oP40_62_d_2cd_3c_c:Ag-C-I-N,40.0,A2B4C3D_oP40_62_d_2cd_3c_c:Ag-C-I-N +mp-1215062,AgI3N2,-3.0988026921,0.8888047918,1.1713244954,1.1713244954,GGA,Pnma,AB3C2_oP24_62_c_3c_2c:Ag-I-N,24.0,AB3C2_oP24_62_c_3c_2c:Ag-I-N +mp-683972,Cs5Ag4C8IN8,-6.3087911896,-0.2394878987,0.1133863922,0.1133863922,GGA,I-43d,A4B8C5DE8_cI312_220_e_2e_ae_b_2e:Ag-C-Cs-I-N,156.0,"Invalid WP multiplicities - A4B8C5DE8_cI312_220_e_27e_4a5e_b_25e:Ag-C-Cs-I-N, expected Cs24Ag4C108IN100 to be Cs5Ag4C8IN8" +mp-608206,CsC2I3N2,-5.2893591925,-0.2336314104,0.3949912666,0.3949912666,GGA,Pmmn,A2BC3D2_oP16_59_e_a_be_e:C-Cs-I-N,16.0,"Invalid WP multiplicities - A2BC3D2_oP16_59_e_a_2b3e_e:C-Cs-I-N, expected CsC2(I4N)2 to be CsC2I3N2" +mp-1192630,K3Ho(PO4)2,-7.1524036943,-2.9871379504,0.0,-0.0308899464,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Ho-K-O-P,28.0,AB3C8D2_mP28_11_e_3e_4e2f_2e:Ho-K-O-P +mp-554505,KHo(PO3)4,-7.7368498456,-2.9198341579,0.0090969586,0.0090969586,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Ho-K-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_21f_3f:Ho-K-O-P, expected KHo(PO7)6 to be KHo(PO3)4" +mp-573324,CsK2Ho(PO4)2,-7.1416184493,-2.9917096036,0.0,-0.0281040935,GGA,P-3m1,ABC2D8E2_hP14_164_a_b_d_di_d:Cs-Ho-K-O-P,14.0,"Invalid WP multiplicities - ABC2D8E2_hP14_164_a_b_d_d2i_d:Cs-Ho-K-O-P, expected CsK2Ho(PO7)2 to be CsK2Ho(PO4)2" +mp-1223593,KBa3Y2(Co3O8)2,-7.1065737743,-2.0495311977,0.1610808387,0.1610808387,GGA+U,I4mm,A3B6CD16E2_tI56_107_3a_3b_a_2b3c_2a:Ba-Co-K-O-Y,28.0,A3B6CD16E2_tI56_107_3a_3b_a_2b3c_2a:Ba-Co-K-O-Y +mp-644827,TePCl9,-3.4124339261,-1.1221213498,0.0,-0.0299296278,GGA,Ima2,A9BC_oI88_46_6b6c_c_2b:Cl-P-Te,44.0,"Invalid WP multiplicities - A9BC_oI88_46_12b23c_c_4b:Cl-P-Te, expected Te2PCl29 to be TePCl9" +mp-662643,P2CN3Cl5,-5.6766130144,-0.7395731434,0.0539581638,0.0539581638,GGA,Pbca,AB5C3D2_oP176_61_2c_10c_6c_4c:C-Cl-N-P,176.0,"Invalid WP multiplicities - AB5C3D2_oP176_61_9c_74c_37c_28c:C-Cl-N-P, expected P28C9(NCl2)37 to be P2CN3Cl5" +mp-567741,PC2N3Cl4,-6.1498425255,-0.5224160348,0.051915192,0.051915192,GGA,Cmcm,A2B4C3D_oC40_63_f_fg_cf_c:C-Cl-N-P,20.0,"Invalid WP multiplicities - A2B4C3D_oC40_63_f_2f2g_2c2f_c:C-Cl-N-P, expected PC2(N3Cl4)2 to be PC2N3Cl4" +mp-1179291,TeP2C6(NCl)2,-6.296560079,0.6043604619,0.9714360672,0.9714360672,GGA,P2_1/c,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:C-Cl-N-P-Te,52.0,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:C-Cl-N-P-Te +mp-1202001,TeP2C6(NCl)2,-5.8073841654,1.0935363755,1.4606119808,1.4606119808,GGA,P2_1/c,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:C-Cl-N-P-Te,52.0,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:C-Cl-N-P-Te +mp-1198055,P3CN2Cl13,-4.3588286982,-0.8760634643,0.0728092882,0.0728092882,GGA,P2_1,AB13C2D3_mP76_4_2a_26a_4a_6a:C-Cl-N-P,76.0,AB13C2D3_mP76_4_2a_26a_4a_6a:C-Cl-N-P +mp-622020,P(CN)3,-7.8408096848,0.4604451379,0.6598269236000001,0.6598269236000001,GGA,I-42d,A3B3C_tI112_122_3e_3e_e:C-N-P,56.0,"Invalid WP multiplicities - A3B3C_tI112_122_19e_18e_e:C-N-P, expected PC19N18 to be P(CN)3" +mp-638206,P3CN4Cl7,-5.5994047172,-0.815784095,0.0245358618,0.0245358618,GGA,P2_1/c,AB7C4D3_mP60_14_e_7e_4e_3e:C-Cl-N-P,60.0,"Invalid WP multiplicities - AB7C4D3_mP60_14_e_21e_13e_10e:C-Cl-N-P, expected P10CN13Cl21 to be P3CN4Cl7" +mp-679969,PCN2Cl3,-5.9101788824,-0.6443834782,0.0466119179,0.0466119179,GGA,P2_1/c,AB3C2D_mP112_14_4e_12e_8e_4e:C-Cl-N-P,112.0,"Invalid WP multiplicities - AB3C2D_mP112_14_14e_45e_31e_14e:C-Cl-N-P, expected P14C14N31Cl45 to be PCN2Cl3" +mp-650336,PCN2Cl3,-5.8961185762,-0.630323172,0.0606722241,0.0606722241,GGA,P2_1/c,AB3C2D_mP84_14_3e_9e_6e_3e:C-Cl-N-P,84.0,"Invalid WP multiplicities - AB3C2D_mP84_14_9e_34e_19e_6e:C-Cl-N-P, expected P6C9N19Cl34 to be PCN2Cl3" +mp-557918,KGaAs2O7,-6.314599735,-1.9433676661,0.0,-0.0008268109,GGA,P-1,A2BCD7_aP22_2_2i_i_ab_7i:As-Ga-K-O,22.0,"Invalid WP multiplicities - A2BCD7_aP22_2_4i_i_ab_13i:As-Ga-K-O, expected KGaAs4O13 to be KGaAs2O7" +mp-1223591,KGaAs3H7O13,-5.876163681,-1.6292882512,0.0002296869,0.0002296869,GGA,Pc,A3BC7DE13_mP50_7_3a_a_7a_a_13a:As-Ga-H-K-O,50.0,"Invalid WP multiplicities - A3BC7DE13_mP50_7_4a_a_10a_a_19a:As-Ga-H-K-O, expected KGaAs4H10O19 to be KGaAs3H7O13" +mp-696983,KGaH4,-3.2464517596,-0.2948852347,0.0,-0.1916709636,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ga-H-K,24.0,AB4C_oP24_62_c_2cd_c:Ga-H-K +mp-1202709,K2SnH2Cl4O,-4.2488296633,-1.7131639442000002,0.0041243028,0.0041243028,GGA,Pnma,A4B2C2DE_oP40_62_2cd_2c_d_c_c:Cl-H-K-O-Sn,40.0,A4B2C2DE_oP40_62_2cd_2c_d_c_c:Cl-H-K-O-Sn +mp-1211894,K2SnHCl4,-3.5375893484,-1.4104340442,0.2554060069,0.2554060069,GGA,Pnma,A4BC2D_oP32_62_2cd_a_2c_b:Cl-H-K-Sn,32.0,A4BC2D_oP32_62_2cd_a_2c_b:Cl-H-K-Sn +mp-510002,K2Sn(HO)6,-5.372804086,-1.6216802002,0.0,-0.0249530964,GGA,R-3,A6B2C6D_hR45_148_f_c_f_a:H-K-O-Sn,15.0,A6B2C6D_hR45_148_f_c_f_a:H-K-O-Sn +mp-1211234,Rb2Cd3H10S4O21,-5.6805620668,-1.7034805598,0.0070845481,0.0070845481,GGA,P2_1/c,A3B10C21D2E4_mP160_14_3e_10e_21e_2e_4e:Cd-H-O-Rb-S,160.0,A3B10C21D2E4_mP160_14_3e_10e_21e_2e_4e:Cd-H-O-Rb-S +mp-542567,Rb2Cd3H6S3O16,-5.6303663013000005,-1.7422842121,0.0143597396,0.0143597396,GGA,Cmc2_1,A3B6C16D2E3_oC120_36_ab_2a2b_4a6b_b_ab:Cd-H-O-Rb-S,60.0,A3B6C16D2E3_oC120_36_ab_2a2b_4a6b_b_ab:Cd-H-O-Rb-S +mp-680460,Rb2Cd2(SO4)3,-5.4423662151,-1.4646576993,0.5416053017,0.526960082,GGA,P2_1,A2B12C2D3_mP76_4_4a_24a_4a_6a:Cd-O-Rb-S,76.0,"Invalid WP multiplicities - A2B12C2D3_mP76_4_6a_48a_7a_10a:Cd-O-Rb-S, expected Rb7Cd6(S5O24)2 to be Rb2Cd2(SO4)3" +mp-1204903,Rb2Cd2(SO4)3,-5.7323997747,-1.7546912589,0.2515717421,0.2369265224,GGA,P2_1,A2B12C2D3_mP76_4_4a_24a_4a_6a:Cd-O-Rb-S,76.0,A2B12C2D3_mP76_4_4a_24a_4a_6a:Cd-O-Rb-S +mp-1238726,Rb2Cd2(SO4)3,-5.8132515258,-1.83554301,0.1707199911,0.1560747713,GGA,P2_1,A2B12C2D3_mP76_4_4a_24a_4a_6a:Cd-O-Rb-S,76.0,A2B12C2D3_mP76_4_4a_24a_4a_6a:Cd-O-Rb-S +mp-6623,Rb2Cd2(SO4)3,-5.9839715168000005,-2.006263001,0.0,-0.0146452197,GGA,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Cd-O-Rb-S,76.0,"Invalid WP multiplicities - A2B12C2D3_cP76_198_2a_8b_5a_b:Cd-O-Rb-S, expected Rb5Cd2(SO8)3 to be Rb2Cd2(SO4)3" +mp-863014,SmH32C8N4Cl7,-5.0822159436,-0.5937374852,0.0607627662,0.0607627662,GGA,P2_12_12,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Sm,104.0,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Sm +mp-560310,SbPOF8,-5.443591187,-2.7362435327,0.0,-0.0084355005,GGA,P2_1/c,A8BCD_mP44_14_8e_e_e_e:F-O-P-Sb,44.0,"Invalid WP multiplicities - A8BCD_mP44_14_29e_e_e_e:F-O-P-Sb, expected SbPOF29 to be SbPOF8" +mp-1176602,LiSbP(OF3)2,-5.7117103855,-2.7286669454,0.0654720032,0.0654720032,GGA,P1,A6BC2DE_aP22_1_12a_2a_4a_2a_2a:F-Li-O-P-Sb,22.0,A6BC2DE_aP22_1_12a_2a_4a_2a_2a:F-Li-O-P-Sb +mp-561176,Sb2POF13,-5.2437149399,-2.6868196295,0.0,-0.0073760416,GGA,P2_1/c,A13BCD2_mP68_14_13e_e_e_2e:F-O-P-Sb,68.0,"Invalid WP multiplicities - A13BCD2_mP68_14_51e_e_e_4e:F-O-P-Sb, expected Sb4POF51 to be Sb2POF13" +mp-554701,SbP(OF3)2,-5.771378243,-2.6809227456,0.0,-0.0283191052,GGA,P-1,A6B2CD_aP20_2_6i_2i_i_i:F-O-P-Sb,20.0,"Invalid WP multiplicities - A6B2CD_aP20_2_9i_4i_i_i:F-O-P-Sb, expected SbPO4F9 to be SbP(OF3)2" +mp-776357,Li2SbP(OF3)2,-5.6604532362,-2.766919844,0.08631389,0.08631389,GGA,P1,A6B2C2DE_aP24_1_12a_4a_4a_2a_2a:F-Li-O-P-Sb,24.0,A6B2C2DE_aP24_1_12a_4a_4a_2a_2a:F-Li-O-P-Sb +mp-1199240,Cs5Mo8P(H3O16)2,-7.3037221875,-2.0093777591,0.0,-0.0024604472,GGA+U,Cmcm,A5B6C8D32E_oC208_63_c2f_2c2g_2h_4c3f3g4h_c:Cs-H-Mo-O-P,104.0,A5B6C8D32E_oC208_63_c2f_2c2g_2h_4c3f3g4h_c:Cs-H-Mo-O-P +mp-1203598,CsMoP2HO9,-7.3836571973,-2.3493299158,0.0,-0.0282167753,GGA+U,P2_1/c,ABCD9E2_mP56_14_e_e_e_9e_2e:Cs-H-Mo-O-P,56.0,ABCD9E2_mP56_14_e_e_e_9e_2e:Cs-H-Mo-O-P +mp-1225542,K6Sr2Ni5(P2O7)5,-7.1568046062,-2.5669909174,0.0112072624,0.0112072624,GGA+U,P-1,A6B5C35D10E2_aP116_2_6i_bd4i_35i_10i_2i:K-Ni-O-P-Sr,116.0,"Invalid WP multiplicities - A6B5C35D10E2_aP116_2_12i_bd8i_69i_18i_4i:K-Ni-O-P-Sr, expected K12Sr4Ni9(P6O23)3 to be K6Sr2Ni5(P2O7)5" +mp-1196260,Sn2MoH12C4O5,-5.7217860303,-0.6707188684000001,0.1683021992,0.1683021992,GGA+U,P2_1/c,A4B12CD5E2_mP96_14_4e_12e_e_5e_2e:C-H-Mo-O-Sn,96.0,A4B12CD5E2_mP96_14_4e_12e_e_5e_2e:C-H-Mo-O-Sn +mp-726434,Mo2H3(CO2)4,-7.4302382078,-1.0562587951,0.387414919,0.387414919,GGA+U,P2_12_12_1,A4B3C2D8_oP68_19_4a_3a_2a_8a:C-H-Mo-O,68.0,A4B3C2D8_oP68_19_4a_3a_2a_8a:C-H-Mo-O +mp-1199536,SnMoH6(CO2)2,-6.1105962837,-0.8637631363,0.2053787763,0.2053787763,GGA+U,Pnma,A2B6CD4E_oP56_62_2c_2c2d_c_2cd_c:C-H-Mo-O-Sn,56.0,A2B6CD4E_oP56_62_2c_2c2d_c_2cd_c:C-H-Mo-O-Sn +mp-558250,MoH2(CO2)2,-7.2764025992,-1.0680483736,0.3284947499,0.3284947499,GGA+U,P2_1/c,A2B2CD4_mP36_14_2e_2e_e_4e:C-H-Mo-O,36.0,"Invalid WP multiplicities - A2B2CD4_mP36_14_5e_5e_e_14e:C-H-Mo-O, expected MoH5C5O14 to be MoH2(CO2)2" +mp-601323,MoH2(CO2)2,-7.1464140622,-0.9380598367,0.4584832868,0.4584832868,GGA+U,P2_1/c,A2B2CD4_mP108_14_6e_6e_3e_12e:C-H-Mo-O,108.0,"Invalid WP multiplicities - A2B2CD4_mP108_14_21e_23e_8e_44e:C-H-Mo-O, expected Mo8H23C21O44 to be MoH2(CO2)2" +mp-1047456,YMo(WO4)2,-9.250612665,-2.3504550506,0.1522619511,0.1522619511,GGA+U,P1,AB8C2D_aP12_1_a_8a_2a_a:Mo-O-W-Y,12.0,AB8C2D_aP12_1_a_8a_2a_a:Mo-O-W-Y +mp-1042328,YMo(WO4)2,-9.3892951929,-2.4891375785,0.0135794232,0.0135794232,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Mo-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Mo-O-W-Y +mp-2218848,YMgMo(WO4)2,-8.7788310908,-2.2863563659,0.2722679953,0.2722679953,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y +mp-2219535,YMgMo(WO4)2,-8.7941954062,-2.3017206813,0.2569036799,0.2569036799,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y +mp-2219044,YMgMo(WO4)2,-8.8305335315,-2.3380588067,0.2205655545,0.2205655545,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y +mp-2219053,YMgMo(WO4)2,-8.8722207677,-2.3797460428,0.1788783184,0.1788783184,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Mg-Mo-O-W-Y +mp-1211738,K2RbLaV2O8,-7.4193474186,-2.7137287828,0.0,-0.0208804573,GGA+U,P-3m1,A2BC8DE2_hP14_164_d_a_di_b_d:K-La-O-Rb-V,14.0,A2BC8DE2_hP14_164_d_a_di_b_d:K-La-O-Rb-V +mp-805888,Li3CrH12(CO3)6,-5.0088750833,0.0037478759,1.6407526092,1.6407526092,GGA+U,P-1,A6BC12D3E18_aP80_2_6i_i_12i_3i_18i:C-Cr-H-Li-O,80.0,"Invalid WP multiplicities - A6BC12D3E18_aP80_2_11i_i_23i_5i_35i:C-Cr-H-Li-O, expected Li5CrH23C11O35 to be Li3CrH12(CO3)6" +mp-768867,Na2SnCSO7,-6.5473512817,-1.9934713833,0.0489774522,0.0489774522,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-S-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-S-Sn, expected Na2SnCSO13 to be Na2SnCSO7" +mp-769261,Na6Sn2C4SO16,-6.6846358105,-1.9897245454,0.0260829819,0.0260829819,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:C-Na-O-S-Sn,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:C-Na-O-S-Sn, expected Na6Sn2C4SO108 to be Na6Sn2C4SO16" +mp-768326,Na4Sn2C4SO16,-6.8743490678,-1.9296314344,0.0672779865,0.0672779865,GGA,P1,A4B4C16DE2_aP54_1_8a_8a_32a_2a_4a:C-Na-O-S-Sn,54.0,A4B4C16DE2_aP54_1_8a_8a_32a_2a_4a:C-Na-O-S-Sn +mp-1176414,Na4Sn2C4SO16,-6.8623967247,-1.9176790914,0.0792303295,0.0792303295,GGA,P1,A4B4C16DE2_aP108_1_16a_16a_64a_4a_8a:C-Na-O-S-Sn,108.0,A4B4C16DE2_aP108_1_16a_16a_64a_4a_8a:C-Na-O-S-Sn +mp-775782,Na4Sn2C4SO16,-6.8457261806,-1.9010085472,0.0959008737,0.0959008737,GGA,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:C-Na-O-S-Sn,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_23h_a_d:C-Na-O-S-Sn, expected Na10Sn2C4SO92 to be Na4Sn2C4SO16" +mp-1203139,FeCuH4S2O13,-5.8830826633,-1.1821309948,0.1980401709,0.1980401709,GGA+U,P2_1/m,ABC4D13E2_mP42_11_e_a_2ef_7e3f_2e:Cu-Fe-H-O-S,42.0,ABC4D13E2_mP42_11_e_a_2ef_7e3f_2e:Cu-Fe-H-O-S +mp-532650,Ca4Mn3B3CO15,-8.1350921556,-2.7898761221,0.0,-0.0075282989,GGA+U,P6_3,A3BC4D3E15_hP52_173_c_a_bc_c_5c:B-C-Ca-Mn-O,52.0,"Invalid WP multiplicities - A3BC4D3E15_hP52_173_c_a_b2c_c_25c:B-C-Ca-Mn-O, expected Ca7Mn3B3CO75 to be Ca4Mn3B3CO15" +mp-1182674,Ca2Mn2B4O13,-7.726144704,-2.3280613386,0.2792605975,0.2792605975,GGA+U,Pmc2_1,A4B2C2D13_oP84_26_4a2c_2c_4b_6a4b8c:B-Ca-Mn-O,84.0,"Invalid WP multiplicities - A4B2C2D13_oP84_26_6a6c_6c_5b_9a6b24c:B-Ca-Mn-O, expected Ca12Mn5(B2O7)9 to be Ca2Mn2B4O13" +mp-1201306,Ca2Mn2B4O13,-7.729525017,-2.3314416516,0.2758802845,0.2758802845,GGA+U,Pbam,A4B2C2D13_oP84_55_2hi_i_acg_2g3h4i:B-Ca-Mn-O,84.0,A4B2C2D13_oP84_55_2hi_i_acg_2g3h4i:B-Ca-Mn-O +mp-1214927,CaB3(CO)6,-7.0660503431,-0.3725565672,1.539697801,1.539697801,GGA,P-1,A3B6CD6_aP16_2_bce_3i_a_3i:B-C-Ca-O,16.0,A3B6CD6_aP16_2_bce_3i_a_3i:B-C-Ca-O +mp-555385,CaMnB2O5,-8.3545504265,-2.8812346188,0.0040343712,0.0040343712,GGA+U,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Ca-Mn-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_14e_2e_6e_37e:B-Ca-Mn-O, expected Ca2Mn6B14O37 to be CaMnB2O5" +mp-22822,BaV2CdO7,-7.5528226423,-2.4949592042,0.0088116331,0.0088116331,GGA+U,Pnma,ABC7D2_oP44_62_c_c_3c2d_2c:Ba-Cd-O-V,44.0,ABC7D2_oP44_62_c_c_3c2d_2c:Ba-Cd-O-V +mp-18892,KBaVO4,-7.3363025225,-2.7791546936,0.0,-0.0386675836,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_c:Ba-K-O-V,28.0,ABC4D_oP28_62_c_c_2cd_c:Ba-K-O-V +mp-1223694,KBaV3Cd2O11,-7.1810376332,-2.3732349976,0.0,-0.0077735792,GGA+U,P2_1/c,AB2CD11E3_mP72_14_e_2e_e_11e_3e:Ba-Cd-K-O-V,72.0,AB2CD11E3_mP72_14_e_2e_e_11e_3e:Ba-Cd-K-O-V +mp-1181733,KBaV5O18,-7.298576031,-1.7990039894,0.3059679569,0.3059679569,GGA+U,P2_1/c,ABC18D5_mP100_14_e_e_18e_5e:Ba-K-O-V,100.0,ABC18D5_mP100_14_e_e_18e_5e:Ba-K-O-V +mp-1203528,K4BaV6O18,-7.6743857784,-2.5052684008,0.0014296402,0.0014296402,GGA+U,R3c,AB4C18D6_hR174_161_a_ab_6b_2b:Ba-K-O-V,58.0,AB4C18D6_hR174_161_a_ab_6b_2b:Ba-K-O-V +mp-558221,Ba2V4Cd3O15,-7.290355702,-2.4094151141,0.0,-0.0005128708,GGA+U,P2_12_12_1,A2B3C15D4_oP96_19_2a_3a_15a_4a:Ba-Cd-O-V,96.0,"Invalid WP multiplicities - A2B3C15D4_oP96_19_4a_11a_59a_13a:Ba-Cd-O-V, expected Ba4V13Cd11O59 to be Ba2V4Cd3O15" +mp-865272,Tl2CoP4(HO2)8,-6.4601400297,-1.9512483569,0.0,-0.0022398651,GGA+U,P-1,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Co-H-O-P-Tl,62.0,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Co-H-O-P-Tl +mp-1521594,SrCaVWO6,-8.280162849,-2.7384366589,0.0934218573,0.0934218573,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-W +mp-1211285,KTa(PO4)2,-8.2162424,-2.93555146,5.64619e-05,5.64619e-05,GGA,C2/m,AB8C2D_mC24_12_a_2ij_i_c:K-O-P-Ta,12.0,AB8C2D_mC24_12_a_2ij_i_d:K-O-P-Ta +mp-684817,K2LiTa6(PO8)3,-8.9661956189,-3.1262838653,0.0,-0.011581626,GGA,P1,A2BC24D3E6_aP36_1_2a_a_24a_3a_6a:K-Li-O-P-Ta,36.0,A2BC24D3E6_aP36_1_2a_a_24a_3a_6a:K-Li-O-P-Ta +mp-773101,K3Li2Ta6(PO8)3,-8.6121710832,-3.0001672688,0.0534000504,0.0534000504,GGA,R3,A3B2C24D3E6_hR114_146_b_2a_8b_b_2b:K-Li-O-P-Ta,38.0,"Invalid WP multiplicities - A3B2C24D3E6_hR114_146_b_2a_24b_b_4b:K-Li-O-P-Ta, expected K3Li2Ta12(PO24)3 to be K3Li2Ta6(PO8)3" +mp-1225077,K11Li4Ta15O45,-8.6380078559,-3.0337713713,0.0578244691,0.0578244691,GGA,Amm2,A11B4C45D15_oC300_38_10a6d_2a3d_6a6b12d27e_6b12e:K-Li-O-Ta,150.0,"Invalid WP multiplicities - A11B4C45D15_oC300_38_10a12d_2a6d_6a6b23d52e_6b23e:K-Li-O-Ta, expected K17Li7Ta26O81 to be K11Li4Ta15O45" +mp-773066,KTa2PO8,-8.9246147475,-3.1068842139,0.0,-0.0094359259,GGA,R3,AB8CD2_hR108_146_b_8b_b_2b:K-O-P-Ta,36.0,"Invalid WP multiplicities - AB8CD2_hR108_146_b_24b_b_4b:K-O-P-Ta, expected KTa4PO24 to be KTa2PO8" +mp-13792,KTaP4O13,-7.9996471342,-2.7928924053,0.0,-0.0399741802,GGA,P2_12_12_1,AB13C4D_oP76_19_a_13a_4a_a:K-O-P-Ta,76.0,"Invalid WP multiplicities - AB13C4D_oP76_19_a_16a_4a_a:K-O-P-Ta, expected KTa(PO4)4 to be KTaP4O13" +mp-9059,KLi6TaO6,-6.35670038,-2.4922828054,0.0,-0.0516926329,GGA,R-3m,AB6C6D_hR42_166_b_f_h_a:K-Li-O-Ta,14.0,AB6C6D_hR42_166_b_f_h_a:K-Li-O-Ta +mp-1203249,Zn3Sb2H42(S4N7)2,-4.9120626074,-0.5014212293,0.0005328246,0.0005328246,GGA,P-1,A42B14C8D2E3_aP69_2_21i_7i_4i_i_ai:H-N-S-Sb-Zn,69.0,A42B14C8D2E3_aP69_2_21i_7i_4i_i_ai:H-N-S-Sb-Zn +mp-1201551,ZnSb4H18S7N6,-4.8884360167,-0.5045766834000001,0.0,-0.0106414778,GGA,P-1,A18B6C7D4E_aP72_2_18i_6i_7i_4i_i:H-N-S-Sb-Zn,72.0,A18B6C7D4E_aP72_2_18i_6i_7i_4i_i:H-N-S-Sb-Zn +mp-17434,K2SmF5,-5.8036933631,-3.7415960048,0.0,-0.0123954653,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:F-K-Sm,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_3c2d_d_c:F-K-Sm, expected K2SmF7 to be K2SmF5" +mp-1195475,K3SmSi2O7,-7.1739135983,-3.0564335972,0.0,-0.0529909205,GGA,P6_3/mcm,A3B7C2D_hP78_193_bck_gkl_k_ad:K-O-Si-Sm,78.0,A3B7C2D_hP78_193_bck_gkl_k_ad:K-O-Si-Sm +mp-1205729,K3SmF6,-5.409630229,-3.4577645509,0.1226963575,0.1226963575,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-K-Sm,10.0,A6B3C_tI20_139_ei_bd_a:F-K-Sm +mp-1205731,K3SmF6,-5.437694858,-3.4858291799,0.0946317285,0.0946317285,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-Sm,10.0,A6B3C_cF40_225_e_ac_b:F-K-Sm +mp-560235,K9Sm3Si12(O16F)2,-7.524337777199999,-3.1903694672,0.0,-0.0240720089,GGA,P-1,A2B9C32D12E3_aP58_2_i_b4i_16i_6i_di:F-K-O-Si-Sm,58.0,"Invalid WP multiplicities - A2B9C32D12E3_aP58_2_i_b7i_32i_11i_d2i:F-K-O-Si-Sm, expected K15Sm5Si22(O32F)2 to be K9Sm3Si12(O16F)2" +mp-17697,KSmF4,-6.2394440371,-3.9936272118,0.0,-0.0171396063,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-K-Sm,24.0,A4BC_oP24_62_4c_c_c:F-K-Sm +mp-1201808,Ba2MnP4(H3O8)2,-7.0666235567,-2.4405355964,0.0016992985,0.0016992985,GGA+U,P2_1/c,A2B6CD16E4_mP58_14_e_3e_a_8e_2e:Ba-H-Mn-O-P,58.0,A2B6CD16E4_mP58_14_e_3e_a_8e_2e:Ba-H-Mn-O-P +mp-1202438,Tl2ZnH12(SO7)2,-5.5018885852,-1.4946536131,0.0,-0.0042891571,GGA,P2_1/c,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-S-Tl-Zn,62.0,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-S-Tl-Zn +mp-555155,KNa2Y(Si2O5)3,-7.87155483,-3.1925884502,0.0,-0.0200680483,GGA,Imma,AB2C15D6E_oI100_74_e_g_e2hi2j_hj_a:K-Na-O-Si-Y,50.0,"Invalid WP multiplicities - AB2C15D6E_oI100_74_e_g_2e8h4i14j_3h4j_a:K-Na-O-Si-Y, expected KNa2Y(Si11O41)2 to be KNa2Y(Si2O5)3" +mp-1101475,NaSiPCO7,-7.5843064545,-2.4918853362,0.0830107952,0.0830107952,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Si,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Si, expected NaSiPCO13 to be NaSiPCO7" +mp-1180369,Na3Si2PO8,-6.4669146859,-2.1951272475,0.6507179452,0.6507179452,GGA,P2_12_12_1,A3B8CD2_oP56_19_3a_8a_a_2a:Na-O-P-Si,56.0,"Invalid WP multiplicities - A3B8CD2_oP56_19_10a_31a_a_6a:Na-O-P-Si, expected Na10Si6PO31 to be Na3Si2PO8" +mp-1223569,Li4Zr8V3(P3O16)3,-8.5034300899,-3.0946829313,0.0063770339,0.0063770339,GGA+U,P1,A4B48C9D3E8_aP72_1_4a_48a_9a_3a_8a:Li-O-P-V-Zr,72.0,A4B48C9D3E8_aP72_1_4a_48a_9a_3a_8a:Li-O-P-V-Zr +mp-22302,ZrVP,-8.7865287625,-1.1048923603,0.0,-0.1171374434,GGA,Pnma,ABC_oP12_62_c_c_c:P-V-Zr,12.0,ABC_oP12_62_c_c_c:P-V-Zr +mp-40204,KZrTl2OF5,-5.837196243,-2.9484493011,0.0582864408,0.0582864408,GGA,I4mm,A5BCD2E_tI20_107_ac_a_a_b_a:F-K-O-Tl-Zr,10.0,A5BCD2E_tI20_107_ac_a_a_b_a:F-K-O-Tl-Zr +mp-720299,ZrCuH8(O2F3)2,-5.6179951675,-2.065777952,0.0023454821,0.0023454821,GGA,P2_1/c,AB6C8D4E_mP40_14_a_3e_4e_2e_d:Cu-F-H-O-Zr,40.0,AB6C8D4E_mP40_14_a_3e_4e_2e_b:Cu-F-H-O-Zr +mp-555139,Zr2Cu3H32(O8F7)2,-5.4076227065,-1.7678021149,0.0117239239,0.0117239239,GGA,P2_1/c,A3B14C32D16E2_mP134_14_ae_7e_16e_8e_e:Cu-F-H-O-Zr,134.0,"Invalid WP multiplicities - A3B14C32D16E2_mP134_14_2a2e_25e_57e_31e_e:Cu-F-H-O-Zr, expected ZrCu3H57O31F25 to be Zr2Cu3H32(O8F7)2" +mp-703326,InRe4H8NO20,-7.0136070785,-1.515316785,0.1791956072,0.1791956072,GGA,P-4n2,A8BCD20E4_tP68_118_2i_c_a_5i_i:H-In-N-O-Re,68.0,A8BCD20E4_tP68_118_2i_c_a_5i_i:H-In-N-O-Re +mp-1199676,InH10N3O14,-5.8350605614,-1.1585580288,0.0,-0.0054801315,GGA,C2/c,A10BC3D14_mC112_15_5f_e_ef_2e6f:H-In-N-O,56.0,A10BC3D14_mC112_15_5f_e_ef_2e6f:H-In-N-O +mp-1197978,K2BiH4Cl5O2,-4.3882819566,-1.6191211047,0.0,-0.023231713,GGA,Pnma,AB5C4D2E2_oP112_62_d_2c4d_4d_2cd_2d:Bi-Cl-H-K-O,112.0,AB5C4D2E2_oP112_62_d_2c4d_4d_2cd_2d:Bi-Cl-H-K-O +mp-704908,K5CeCo2(NO2)12,-6.6521274585,-1.0962141028,0.2328786145,0.2328786145,GGA+U,Pn-3,AB2C5D12E24_cP88_201_a_b_cd_h_2h:Ce-Co-K-N-O,88.0,"Invalid WP multiplicities - AB2C5D12E24_cP88_201_a_b_3c3d_h_26h:Ce-Co-K-N-O, expected K15CeCo2(NO26)12 to be K5CeCo2(NO2)12" +mp-1198958,UH10Cl2O15,-5.7097319812,-1.3127293224,0.0100484062,0.0100484062,GGA,P2_1/c,A2B10C15D_mP112_14_2e_10e_15e_e:Cl-H-O-U,112.0,A2B10C15D_mP112_14_2e_10e_15e_e:Cl-H-O-U +mp-1203115,UH14Cl3O7,-5.3688921582,-1.4104119343,0.0373359892,0.0373359892,GGA,P-1,A3B14C7D_aP50_2_3i_14i_7i_i:Cl-H-O-U,50.0,A3B14C7D_aP50_2_3i_14i_7i_i:Cl-H-O-U +mp-1217058,UH2Cl2O3,-6.8490778744,-2.2723276802,0.0151326441,0.0151326441,GGA,P2_1/m,A2B2C3D_mP16_11_f_f_3e_e:Cl-H-O-U,16.0,A2B2C3D_mP16_11_f_f_3e_e:Cl-H-O-U +mp-1203457,Rb2U2Cl4O7,-6.659169909,-2.2215128568,0.3735802433,0.3735802433,GGA,P2_1/c,A4B7C2D2_mP60_14_4e_7e_2e_2e:Cl-O-Rb-U,60.0,A4B7C2D2_mP60_14_4e_7e_2e_2e:Cl-O-Rb-U +mp-28881,Rb2UCl5,-5.0725466966,-2.2606515147,0.0,-0.0541156253,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-Rb-U,32.0,A5B2C_oP32_62_3cd_d_c:Cl-Rb-U +mp-1103676,Rb2U(ClO)4,-5.3007601345,-1.6249983491000002,0.5998982295,0.5998982295,GGA,P-1,A4B4C2D_aP11_2_2i_2i_i_a:Cl-O-Rb-U,11.0,A4B4C2D_aP11_2_2i_2i_i_a:Cl-O-Rb-U +mp-1237058,Rb2U(ClO)4,-5.2575638255,-1.58180204,0.6430945386,0.6430945386,GGA,P-1,A4B4C2D_aP11_2_2i_2i_i_a:Cl-O-Rb-U,11.0,A4B4C2D_aP11_2_2i_2i_i_a:Cl-O-Rb-U +mp-24333,UH12(ClO2)3,-5.4043328661,-1.4393390117,0.0310035349,0.0310035349,GGA,P2/c,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-U,44.0,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-U +mp-1105084,Rb2UH4(ClO)4,-5.7048567387,-2.1045711507,0.0,-0.0295488367,GGA,P-1,A4B4C4D2E_aP15_2_2i_2i_2i_i_a:Cl-H-O-Rb-U,15.0,A4B4C4D2E_aP15_2_2i_2i_2i_i_a:Cl-H-O-Rb-U +mp-730074,Rb2CaH8(N3O)4,-6.2842365374,-0.6941191178,0.1562748524,0.1562748524,GGA,Ccce,AB8C12D4E2_oC108_68_a_2i_eh2i_i_f:Ca-H-N-O-Rb,54.0,AB8C12D4E2_oC108_68_a_2i_eh2i_i_f:Ca-H-N-O-Rb +mp-696329,RbCa(H2N)3,-4.998247075,-0.6026129843,0.0,-0.0061053914,GGA,C2/c,AB6C3D_mC44_15_a_3f_ef_e:Ca-H-N-Rb,22.0,AB6C3D_mC44_15_a_3f_ef_e:Ca-H-N-Rb +mp-24517,Rb2CaH4,-2.9205237729,-0.415156315,0.0089603071,0.0089603071,GGA,I4/mmm,AB4C2_tI14_139_a_ce_e:Ca-H-Rb,7.0,AB4C2_tI14_139_a_ce_e:Ca-H-Rb +mp-23949,RbCaH3,-3.11397772,-0.4811153025,0.017971986,0.017971986,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-H-Rb,5.0,AB3C_cP5_221_b_c_a:Ca-H-Rb +mp-1245406,Rb2Ca5N4,-4.6336047634,-0.512236832,0.2281966721,0.2281966721,GGA,P4/ncc,A5B4C2_tP44_130_cg_g_f:Ca-N-Rb,44.0,A5B4C2_tP44_130_cg_g_f:Ca-N-Rb +mp-722900,CaH3NO5,-6.1515210632,-1.6261494136,0.0,-0.0142972175,GGA,Pbca,AB3CD5_oP160_61_2c_6c_2c_10c:Ca-H-N-O,160.0,AB3CD5_oP160_61_2c_6c_2c_10c:Ca-H-N-O +mp-559136,CaH8(NO5)2,-5.9049915171,-1.3675017456,0.0181374495,0.0181374495,GGA,P2_1/c,AB8C2D10_mP84_14_e_8e_2e_10e:Ca-H-N-O,84.0,"Invalid WP multiplicities - AB8C2D10_mP84_14_e_29e_4e_39e:Ca-H-N-O, expected CaH29N4O39 to be CaH8(NO5)2" +mp-762501,CaH8(NO5)2,-5.9033833355,-1.3658935639,0.0197456312,0.0197456312,GGA,P2_1/c,AB8C2D10_mP84_14_e_8e_2e_10e:Ca-H-N-O,84.0,AB8C2D10_mP84_14_e_8e_2e_10e:Ca-H-N-O +mp-1202729,CaH8(NO5)2,-5.9122062564,-1.3747164849,0.0109227102,0.0109227102,GGA,P2_1/c,AB8C2D10_mP168_14_2e_16e_4e_20e:Ca-H-N-O,168.0,AB8C2D10_mP168_14_2e_16e_4e_20e:Ca-H-N-O +mp-695831,CaH4(N3O)2,-6.524424441,-0.7175897462,0.2022637516,0.2022637516,GGA,P2_1/c,AB4C6D2_mP52_14_e_4e_6e_2e:Ca-H-N-O,52.0,AB4C6D2_mP52_14_e_4e_6e_2e:Ca-H-N-O +mp-1229279,Ba4Se4S16O31,-5.5856918275,-1.2004173986,0.6430879972,0.6430879972,GGA,Pm,A4B31C16D4_mP55_6_2a2b_3a4b12c_8c_2a2b:Ba-O-S-Se,55.0,"Invalid WP multiplicities - A4B31C16D4_mP55_6_2a2b_3a4b24c_16c_2a2b:Ba-O-S-Se, expected Ba4Se4S32O55 to be Ba4Se4S16O31" +mp-1214799,BaH2Se(S2O3)2,-5.262764358,-1.0894593407,0.6068494354,0.6068494354,GGA,Pnma,AB2C6D4E_oP56_62_c_2c_3d_2d_c:Ba-H-O-S-Se,56.0,AB2C6D4E_oP56_62_c_2c_3d_2d_c:Ba-H-O-S-Se +mp-1202467,BaSe(SO2)4,-5.5424707648,-1.1471710809,0.6999853246000001,0.6999853246000001,GGA,Pnma,AB8C4D_oP56_62_c_2c3d_2d_c:Ba-O-S-Se,56.0,AB8C4D_oP56_62_c_2c3d_2d_c:Ba-O-S-Se +mp-1222350,LiMgSO4F,-6.2961027113,-2.6281168867,0.0112401405,0.0112401405,GGA,P1,ABCD4E_aP16_1_2a_2a_2a_8a_2a:F-Li-Mg-O-S,16.0,ABCD4E_aP16_1_2a_2a_2a_8a_2a:F-Li-Mg-O-S +mp-677510,LiMgSO4F,-5.7023147525,-2.034328928,0.6050280992,0.6050280992,GGA,P-1,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Mg-O-S,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_ab_7i_i:F-Li-Mg-O-S, expected LiMgSO7F to be LiMgSO4F" +mp-1224007,K2NaMo(OF)3,-6.025474015,-2.5291263816000003,0.0221316755,0.0221316755,GGA+U,Fmm2,A3B2CDE3_oF40_42_ac_b_a_a_ad:F-K-Mo-Na-O,10.0,"Invalid WP multiplicities - A3B2CDE3_oF40_42_a2c_b_a_a_a2d:F-K-Mo-Na-O, expected K2NaMo(OF)5 to be K2NaMo(OF)3" +mp-690372,K2NaMo(OF)3,-6.0256845995,-2.5293369661,0.021921091,0.021921091,GGA+U,P4_2nm,A3B2CDE3_tP20_102_ac_b_a_a_ac:F-K-Mo-Na-O,20.0,"Invalid WP multiplicities - A3B2CDE3_tP20_102_2a3c_b_a_a_2a2c:F-K-Mo-Na-O, expected K2NaMo(O3F4)2 to be K2NaMo(OF)3" +mp-556487,K2NaMoF6,-5.559402545,-2.9736178348,0.0,-0.0600790275,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Na,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Mo-Na +mp-975958,KNaMo(OF2)2,-5.97665995,-2.5524524341,0.0317885904,0.0317885904,GGA+U,P4/nmm,A4BCDE2_tP18_129_j_a_c_c_2c:F-K-Mo-Na-O,18.0,"Invalid WP multiplicities - A4BCDE2_tP18_129_j_a_c_c_3c:F-K-Mo-Na-O, expected KNaMoO3F4 to be KNaMo(OF2)2" +mp-1111010,KNa2MoF6,-5.348889467,-2.7418921221,0.1797531237,0.1797531237,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-K-Mo-Na +mp-541715,Ba3GaP3,-4.52271473,-0.9477249639,0.0,-0.0478505548,GGA,Cmce,A3BC3_oC56_64_fg_d_fg:Ba-Ga-P,28.0,A3BC3_oC56_64_fg_d_fg:Ba-Ga-P +mp-758662,Ba2GaP4HO14,-7.4224594677,-2.8240220163,0.0006539161,0.0006539161,GGA,P-1,A2BCD14E4_aP22_2_i_a_b_7i_2i:Ba-Ga-H-O-P,22.0,"Invalid WP multiplicities - A2BCD14E4_aP22_2_i_a_b_13i_3i:Ba-Ga-H-O-P, expected Ba2GaP6HO26 to be Ba2GaP4HO14" +mp-1195680,Ba7Ga4P9,-4.5636175802,-0.8503710187,0.0080951769,0.0080951769,GGA,Pmmn,A7B4C9_oP40_59_aeg_ef_a2beg:Ba-Ga-P,40.0,A7B4C9_oP40_59_aeg_ef_a2beg:Ba-Ga-P +mp-1196108,Ba3Ga3P5,-4.5802025158,-0.7704092957,0.0,-0.0177825453,GGA,R-3c,A3B3C5_hR198_167_acf_ef_e2f:Ba-Ga-P,66.0,A3B3C5_hR198_167_acf_ef_e2f:Ba-Ga-P +mp-1105728,Ba(GaP)2,-4.416588003,-0.6562336033,0.0,-0.0138615457,GGA,P2_1/c,AB2C2_mP20_14_e_2e_2e:Ba-Ga-P,20.0,AB2C2_mP20_14_e_2e_2e:Ba-Ga-P +mp-1191085,LiY(WO4)2,-8.8139874308,-2.6585570867,0.0,-0.0085839648,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Li-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Li-O-W-Y +mp-756622,LiY3WO8,-8.92946435,-3.2494661864,0.0660177054,0.0660177054,GGA+U,P2,AB8CD3_mP13_3_a_4e_b_acd:Li-O-W-Y,13.0,"Invalid WP multiplicities - AB8CD3_mP13_3_a_8e_d_abc:Li-O-W-Y, expected LiY3WO16 to be LiY3WO8" +mp-759216,LiY3WO8,-8.9084244108,-3.2284262472,0.0870576446,0.0870576446,GGA+U,C222,AB8CD3_oC26_21_b_efl_a_ck:Li-O-W-Y,13.0,"Invalid WP multiplicities - AB8CD3_oC26_21_b_2e2fl_a_ck:Li-O-W-Y, expected LiY3WO12 to be LiY3WO8" +mp-1196425,Na2ZnB6O11,-7.6067404485,-2.6870044162,0.0035050427,0.0035050427,GGA,Cc,A6B2C11D_mC80_9_6a_2a_11a_a:B-Na-O-Zn,40.0,A6B2C11D_mC80_9_6a_2a_11a_a:B-Na-O-Zn +mp-1020181,Na2ZnB6O11,-7.6073695407,-2.6876335085000003,0.0028759505,0.0028759505,GGA,C2/c,A6B2C11D_mC80_15_3f_f_e5f_e:B-Na-O-Zn,40.0,"Invalid WP multiplicities - A6B2C11D_mC80_15_5f_f_e9f_e:B-Na-O-Zn, expected Na2ZnB10O19 to be Na2ZnB6O11" +mp-560158,Na3Zn(BO2)5,-7.2610276012,-2.6246504719,0.0,-0.0080521128,GGA,P2_1/c,A5B3C10D_mP76_14_5e_3e_10e_e:B-Na-O-Zn,76.0,"Invalid WP multiplicities - A5B3C10D_mP76_14_17e_8e_35e_e:B-Na-O-Zn, expected Na8ZnB17O35 to be Na3Zn(BO2)5" +mp-1020160,Na3Zn(BO2)5,-7.2596327358,-2.6232556065,0.0013948654,-0.0066572474,GGA,Pbca,A5B3C10D_oP152_61_5c_3c_10c_c:B-Na-O-Zn,152.0,A5B3C10D_oP152_61_5c_3c_10c_c:B-Na-O-Zn +mp-1019787,K2NaZn(BO2)5,-7.2636092733,-2.6495612331,0.0,-0.0065526201,GGA,C2/c,A5B2CD10E_mC152_15_5f_2f_2e_10f_f:B-K-Na-O-Zn,76.0,A5B2CD10E_mC152_15_5f_2f_2e_10f_f:B-K-Na-O-Zn +mp-557183,KNaZnO2,-4.35286862,-1.6356595654,0.0,-0.0149120425,GGA,C2/c,ABC2D_mC20_15_e_e_f_e:K-Na-O-Zn,10.0,ABC2D_mC20_15_e_e_f_e:K-Na-O-Zn +mp-11166,BaZnCO3F2,-6.5946086506,-2.7108076367,0.0,-0.0097876206,GGA,P6_3/m,ABC2D3E_hP16_176_b_c_f_h_d:Ba-C-F-O-Zn,16.0,ABC2D3E_hP16_176_b_c_f_h_d:Ba-C-F-O-Zn +mp-1521011,NaCaYWO6,-8.075127098,-2.8318412196,0.1350142423,0.1350142423,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-Na-O-W-Y +mp-1196099,K3Bi7(SO6)4,-6.3157227636,-1.9609609402,0.0,-0.0327228624,GGA,C2/c,A7B3C24D4_mC304_15_2e6f_3f_24f_4f:Bi-K-O-S,152.0,A7B3C24D4_mC304_15_2e6f_3f_24f_4f:Bi-K-O-S +mp-23645,KBiS(ClO2)2,-5.5578433469,-1.9388248904,0.0,-0.0457619619,GGA,P2_12_12_1,AB2CD4E_oP36_19_a_2a_a_4a_a:Bi-Cl-K-O-S,36.0,AB2CD4E_oP36_19_a_2a_a_4a_a:Bi-Cl-K-O-S +mp-1192901,ZnBP2PbO9,-7.1269487093,-2.3413354332000003,0.0811935109,0.0811935109,GGA,P-1,AB9C2DE_aP28_2_i_9i_2i_i_i:B-O-P-Pb-Zn,28.0,AB9C2DE_aP28_2_i_9i_2i_i_i:B-O-P-Pb-Zn +mp-29309,Si2H6S,-4.208261216,-0.281212083,0.0,-0.002315219,GGA,Pbcn,A6BC2_oP72_60_6d_d_2d:H-S-Si,72.0,A6BC2_oP72_60_6d_d_2d:H-S-Si +mp-555848,H8C3S2,-5.0495605933,-0.1956602416,0.0670516827,0.0670516827,GGA,P2_1/c,A3B8C2_mP52_14_3e_8e_2e:C-H-S,52.0,"Invalid WP multiplicities - A3B8C2_mP52_14_7e_27e_5e:C-H-S, expected H27C7S5 to be H8C3S2" +mp-1096982,H2C2S,-5.12498498,0.7508616084,0.9651976603,0.9651976603,GGA,P-3m1,A2B2C_hP5_164_d_d_a:C-H-S,5.0,A2B2C_hP5_164_d_d_a:C-H-S +mp-28090,Si2H2S3,-4.9944141796,-0.7022087867,0.0,-0.0038004861,GGA,P-42_1c,A2B3C2_tP28_114_e_ce_e:H-S-Si,28.0,A2B3C2_tP28_114_e_ce_e:H-S-Si +mp-28399,H2CS3,-4.8830835333,-0.1458390028,0.1780187107,0.1780187107,GGA,P2_1/c,AB2C3_mP72_14_3e_6e_9e:C-H-S,72.0,"Invalid WP multiplicities - AB2C3_mP72_14_3e_9e_12e:C-H-S, expected H3CS4 to be H2CS3" +mp-709098,H2CS3,-4.8855084527,-0.1482639222,0.1755937913,0.1755937913,GGA,P2_1/c,AB2C3_mP96_14_4e_8e_12e:C-H-S,96.0,AB2C3_mP96_14_4e_8e_12e:C-H-S +mp-1197409,Ga4Si12H138C55S4,-5.2293404547,-0.2080503316,0.0548461179,0.0548461179,GGA,R-3,A55B4C138D4E12_hR1278_148_c18f_cf_46f_cf_4f:C-Ga-H-S-Si,426.0,A55B4C138D4E12_hR1278_148_c18f_cf_46f_cf_4f:C-Ga-H-S-Si +mp-559204,H3CS,-4.940820294,-0.2321615951,0.0457691817,0.0457691817,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:C-H-S,40.0,"Invalid WP multiplicities - AB3C_mP40_14_7e_22e_5e:C-H-S, expected H22C7S5 to be H3CS" +mp-554676,H3CS,-4.939623659,-0.2309649601,0.0469658167,0.0469658167,GGA,P2_1/c,AB3C_mP40_14_2e_6e_2e:C-H-S,40.0,"Invalid WP multiplicities - AB3C_mP40_14_4e_24e_5e:C-H-S, expected H24C4S5 to be H3CS" +mp-1216120,YTiNbO6,-9.5381579708,-3.5222245889,0.0129111203,0.0129111203,GGA,P2_1/c,AB6CD_mP36_14_e_6e_e_e:Nb-O-Ti-Y,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_24e_e_e:Nb-O-Ti-Y, expected YTiNbO24 to be YTiNbO6" +mp-1216114,Y4Ti2Nb2O15,-9.5002508139,-3.5846069341,0.067915471,0.067915471,GGA,Imm2,A2B15C2D4_oI46_44_c_3a4b2e_d_cd:Nb-O-Ti-Y,23.0,A2B15C2D4_oI46_44_c_3a4b2e_d_cd:Nb-O-Ti-Y +mp-723480,BaZn3P4(H7O9)2,-5.7633034281,-1.6660539974000002,0.1870024949,0.1870024949,GGA,C2/c,AB14C18D4E3_mC160_15_e_7f_9f_2f_af:Ba-H-O-P-Zn,80.0,AB14C18D4E3_mC160_15_e_7f_9f_2f_cf:Ba-H-O-P-Zn +mp-1522087,KPrV4O12,-8.1637671694,-2.5200341963,0.1119002578,0.1119002578,GGA+U,Amm2,AB12CD4_oC36_38_a_2cdef_b_f:K-O-Pr-V,18.0,"Invalid WP multiplicities - AB12CD4_oC36_38_a_3c2d2ef_b_f:K-O-Pr-V, expected KPrV4O18 to be KPrV4O12" +mp-1211736,K2RbPrV2O8,-7.3804303507,-2.6858903827,0.0,-0.0243552491,GGA+U,P-3m1,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Pr-Rb-V,14.0,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Pr-Rb-V +mp-1032792,YMg6MnO8,-6.8684528638,-2.818223089,0.2166236216,0.2166236216,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Y, expected YMg6MnO12 to be YMg6MnO8" +mp-1031798,YMg6MnO8,-6.8349127262,-2.7846829515,0.2501637591,0.2501637591,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Y, expected YMg6MnO12 to be YMg6MnO8" +mp-2215822,MgMn2(SO5)2,-7.2230339693,-2.0454274706,0.0973432058,0.0973432058,GGA+U,P1,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mn-O-S,15.0,AB2C10D2_aP15_1_a_2a_10a_2a:Mg-Mn-O-S +mp-1233998,MgMn8(SO3)8,-7.3066642268,-1.7771878758,0.2052410126,0.2052410126,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Mn-O-S,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Mn-O-S +mp-1234490,MgMn8(SO3)8,-7.2821261241,-1.7526497731,0.2297791153,0.2297791153,GGA+U,P1,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Mn-O-S,41.0,AB8C24D8_aP41_1_a_8a_24a_8a:Mg-Mn-O-S +mp-2217804,Y2MgMn2O6,-8.5628073273,-2.8775904974,0.2029475426,0.2029475426,GGA+U,P3m1,AB2C6D2_hP11_156_a_ab_2a2b2c_2c:Mg-Mn-O-Y,11.0,AB2C6D2_hP11_156_a_ab_2a2b2c_2c:Mg-Mn-O-Y +mp-2224487,Y6MgMn6O18,-8.9208018058,-2.9720406676,0.0802603824,0.0802603824,GGA+U,P1,AB6C18D6_aP31_1_a_6a_18a_6a:Mg-Mn-O-Y,31.0,AB6C18D6_aP31_1_a_6a_18a_6a:Mg-Mn-O-Y +mp-2236758,Y6MgMn6O18,-8.903292219,-2.9545310808,0.0977699692,0.0977699692,GGA+U,Cm,AB6C18D6_mC62_8_a_2a2b_6a6b_2a2b:Mg-Mn-O-Y,31.0,"Invalid WP multiplicities - AB6C18D6_mC62_8_a_2a2b_6a7b_2a3b:Mg-Mn-O-Y, expected Y8MgMn6O20 to be Y6MgMn6O18" +mp-2236765,Y6MgMn6O18,-8.8973945626,-2.9486334244,0.1036676257,0.1036676257,GGA+U,Cm,AB6C18D6_mC62_8_a_2a2b_6a6b_2a2b:Mg-Mn-O-Y,,"Invalid WP multiplicities - AB6C18D6_mC62_8_a_2a2b_6a7b_2a3b:Mg-Mn-O-Y, expected Y8MgMn6O20 to be Y6MgMn6O18" +mp-1246677,YMgMnS4,-6.3783290579,-1.5533910689,0.0797216729,0.0797216729,GGA,Imma,ABC4D_oI28_74_e_a_hi_c:Mg-Mn-S-Y,14.0,"Invalid WP multiplicities - ABC4D_oI28_74_e_a_3h3i_c:Mg-Mn-S-Y, expected YMgMnS12 to be YMgMnS4" +mp-1246382,YMg2Mn3S8,-6.2999569807,-1.2824801218,0.0789526993,0.0789526993,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mn-S-Y,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mn-S-Y, expected YMg2Mn3S16 to be YMg2Mn3S8" +mp-1037959,YMg30MnO32,-6.4530427239,-2.9853719948,0.0638699074,0.0638699074,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Y, expected YMg110MnO72 to be YMg30MnO32" +mp-1037846,YMg30MnO32,-6.4518543164,-2.9841835873,0.0650583149,0.0650583149,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Y, expected YMg90MnO80 to be YMg30MnO32" +mp-1023074,YMg6Mn,-3.04528848,0.1084823582,0.163003469,0.163003469,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Mn-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Mn-Y, expected YMg12Mn to be YMg6Mn" +mp-1023083,YMg6Mn,-3.0519992588,0.1017715794,0.1562926902,0.1562926902,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Mn-Y,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Mn-Y, expected YMg12Mn to be YMg6Mn" +mp-656880,Y2Mn2S2O5,-8.1487648682,-2.3066452227,0.336587249,0.336587249,GGA+U,I4/mmm,A2B5C2D2_tI22_139_e_ag_e_e:Mn-O-S-Y,11.0,A2B5C2D2_tI22_139_e_ag_e_e:Mn-O-S-Y +mp-1028140,YMg14Mn,-2.3301305831,0.046894861,0.0863206213,0.0863206213,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Mn-Y,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Mn-Y, expected YMg18Mn to be YMg14Mn" +mp-1028129,YMg14Mn,-2.3175349044,0.0594905397,0.0989163,0.0989163,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Mn-Y,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Mn-Y, expected YMg26Mn to be YMg14Mn" +mp-1247272,Y3Mg2MnS8,-6.4776258986,-1.8452267795,0.0595658829,0.0595658829,GGA,R-3m,A2BC8D3_hR42_166_c_a_ch_d:Mg-Mn-S-Y,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_166_c_a_2c3h_d:Mg-Mn-S-Y, expected Y3Mg2MnS22 to be Y3Mg2MnS8" +mp-1234714,Y2MgMn2S2O5,-7.8902090983,-2.4015760858,0.3146547232,0.3146547232,GGA+U,Cm,AB2C5D2E2_mC24_8_a_2a_a2b_2a_2a:Mg-Mn-O-S-Y,12.0,"Invalid WP multiplicities - AB2C5D2E2_mC24_8_a_2a_a4b_2a_2a:Mg-Mn-O-S-Y, expected Y2MgMn2S2O9 to be Y2MgMn2S2O5" +mp-1046607,Y2MgMn2S2O5,-7.9790667217,-2.4904337091,0.2257970999,0.2257970999,GGA+U,Immm,AB2C5D2E2_oI24_71_c_e_a2f_e_e:Mg-Mn-O-S-Y,12.0,AB2C5D2E2_oI24_71_c_e_a2f_e_e:Mg-Mn-O-S-Y +mp-1048432,Y2MgMn2S2O5,-7.8956514658,-2.4070184533,0.3092123557,0.3092123557,GGA+U,I-4m2,AB2C5D2E2_tI24_119_c_e_a2f_e_e:Mg-Mn-O-S-Y,12.0,AB2C5D2E2_tI24_119_c_e_a2f_e_e:Mg-Mn-O-S-Y +mp-1036265,YMg14MnO16,-6.5754172003,-2.9135601226,0.1308833824,0.1308833824,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Y, expected YMg18MnO20 to be YMg14MnO16" +mp-1036223,YMg14MnO16,-6.5775831734,-2.9157260958,0.1287174092,0.1287174092,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Y, expected YMg30MnO32 to be YMg14MnO16" +mp-2218834,MgSc2V2O8,-8.4698884369,-2.9309238146,0.2359599149,0.2359599149,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sc-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_7c_ab_ab:Mg-O-Sc-V, expected MgSc2V2O14 to be MgSc2V2O8" +mp-2218897,MgSc2V2O8,-8.6380188415,-3.0990542192,0.0678295103,0.0678295103,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sc-V,13.0,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Sc-V +mp-2227375,K3MgScV2O8,-7.1093391833,-2.5089879949,0.2073762657,0.2073762657,GGA+U,C2/m,A3BC8DE2_mC30_12_ci_b_2ij_a_i:K-Mg-O-Sc-V,15.0,"Invalid WP multiplicities - A3BC8DE2_mC30_12_ci_a_3i3j_b_i:K-Mg-O-Sc-V, expected K3MgScV2O18 to be K3MgScV2O8" +mp-2218145,MgSc2V2O7,-8.6146848717,-3.0263639234,0.2065029313,0.2065029313,GGA+U,P1,AB7C2D2_aP12_1_a_7a_2a_2a:Mg-O-Sc-V,12.0,AB7C2D2_aP12_1_a_7a_2a_2a:Mg-O-Sc-V +mp-2218115,MgSc2V2O7,-8.611085885,-3.0227649368,0.210101918,0.210101918,GGA+U,C2,AB7C2D2_mC24_5_a_a3c_2b_c:Mg-O-Sc-V,12.0,"Invalid WP multiplicities - AB7C2D2_mC24_5_a_a5c_2b_c:Mg-O-Sc-V, expected MgSc2V2O11 to be MgSc2V2O7" +mp-763244,ZnFeH4O2F5,-5.2924834542,-2.0039110496,0.0003903106,0.0003903106,GGA+U,Imm2,A5BC4D2E_oI52_44_ab2e_d_2e_2c_c:F-Fe-H-O-Zn,26.0,"Invalid WP multiplicities - A5BC4D2E_oI52_74_2e2j_c_j_h_a:F-Fe-H-O-Zn, expected ZnFeH4(OF5)2 to be ZnFeH4O2F5" +mp-1211286,Li3Y2(BO3)3,-7.9882655732,-3.0930841297,0.0391111813,0.0391111813,GGA,P2_1/c,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Y,68.0,A3B3C9D2_mP68_14_3e_3e_9e_2e:B-Li-O-Y +mp-555489,LiY6B3O14,-8.9942194281,-3.5775708108,0.0125100199,0.0125100199,GGA,P2_1/c,A3BC14D6_mP96_14_3e_e_14e_6e:B-Li-O-Y,96.0,"Invalid WP multiplicities - A3BC14D6_mP96_14_10e_e_49e_21e:B-Li-O-Y, expected LiY21B10O49 to be LiY6B3O14" +mp-1218231,SrLiY2(BO3)3,-8.4052965088,-3.3371882425,0.0,-0.0048223038,GGA,P321,A3BC9DE2_hP48_150_adg_e_e4g_f_g:B-Li-O-Sr-Y,48.0,"Invalid WP multiplicities - A3BC9DE2_hP48_150_adg_e_e5g_f_g:B-Li-O-Sr-Y, expected SrLiY2B3O11 to be SrLiY2(BO3)3" +mp-14704,Li6Y(BO3)3,-7.1578850532,-2.816917578,0.0,-0.0042039727,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Y,76.0,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-Y +mp-1577482,CoP2WO8,-8.1709478246,-2.2987342639,0.0647132432,0.0647132432,GGA+U,Pm,AB8C2D_mP24_6_ab_4a4b4c_2a2b_ab:Co-O-P-W,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-W +mp-757476,CoP2WO8,-8.1720305692,-2.2998170085,0.0636304987,0.0636304987,GGA+U,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-W,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:Co-O-P-W +mp-1226460,Co3PW2,-9.0477695833,-0.2720168581,0.0083948485,0.0083948485,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Co-P-W,12.0,A3BC2_hP12_194_h_a_f:Co-P-W +mp-867764,Ti3Co2P6WO24,-8.3012635669,-2.6884417342,0.0434701,0.0434701,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Co-O-P-Ti-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Co-O-P-Ti-W, expected Ti3Co2P6WO60 to be Ti3Co2P6WO24" +mp-774637,Co3P6WO24,-7.5622628432,-2.1068679101,0.0462965508,0.0462965508,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Co-O-P-W,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Co-O-P-W, expected Co3P6WO60 to be Co3P6WO24" +mp-774466,CoP6(WO8)3,-8.2330031138,-2.4335015669,0.0,-0.0087238738,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Co-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Co-O-P-W, expected CoP6(WO20)3 to be CoP6(WO8)3" +mp-1102504,CoPW,-8.9371661808,-0.4439160036,0.0,-0.0548418883,GGA,Pnma,ABC_oP12_62_c_c_c:Co-P-W,12.0,ABC_oP12_62_c_c_c:Co-P-W +mp-1206094,CoP2W,-8.0759782138,-0.3527149542,0.123591815,0.123591815,GGA,P6_3/mmc,AB2C_hP8_194_b_f_a:Co-P-W,8.0,AB2C_hP8_194_b_f_a:Co-P-W +mp-1197917,BaAl2H10C2O13,-6.4708636034,-1.9672324862,0.0073862221,0.0073862221,GGA,P-1,A2BC2D10E13_aP56_2_acde_i_2i_10i_13i:Al-Ba-C-H-O,56.0,A2BC2D10E13_aP56_2_acde_i_2i_10i_13i:Al-Ba-C-H-O +mp-1238408,BaAl2H10C2O13,-6.0732540629,-1.5696229457,0.4049957627,0.4049957627,GGA,P-1,A2BC2D10E13_aP56_2_abdf_i_2i_10i_13i:Al-Ba-C-H-O,56.0,A2BC2D10E13_aP56_2_abdf_i_2i_10i_13i:Al-Ba-C-H-O +mp-1195111,BaAl2C2O11,-6.9315990522,-1.7890344641,0.4866548625,0.4866548625,GGA,Pnma,A2BC2D11_oP64_62_d_c_2c_7c2d:Al-Ba-C-O,64.0,A2BC2D11_oP64_62_d_c_2c_7c2d:Al-Ba-C-O +mp-1201838,AlH16(C3O7)2,-6.2797243642,-1.3431074058,0.0456181003,0.0456181003,GGA,I4_1/acd,AB6C16D14_tI592_142_e_2f2g_8g_2e6g:Al-C-H-O,296.0,AB6C16D14_tI592_142_e_2f2g_8g_2e6g:Al-C-H-O +mp-707218,Ba3AlHO4,-6.3926657442,-2.7613344619,0.0,-0.0386634587,GGA,Pnma,AB3CD4_oP36_62_c_cd_c_2cd:Al-Ba-H-O,36.0,AB3CD4_oP36_62_c_cd_c_2cd:Al-Ba-H-O +mp-1199608,Al4H12C15O31,-7.180922869,-1.5765301546,0.168416252,0.168416252,GGA,Im-3,A4B15C12D31_cI124_204_c_bg_g_aeh:Al-C-H-O,62.0,A4B15C12D31_cI124_204_c_bg_g_aeh:Al-C-H-O +mp-19482,Na2V(PO4)2,-7.4104203517,-2.6312610163,0.0054020367,0.0054020367,GGA+U,P2_1/c,A2B8C2D_mP52_14_2e_8e_2e_e:Na-O-P-V,52.0,A2B8C2D_mP52_14_2e_8e_2e_e:Na-O-P-V +mp-19329,Na2V(PO4)2,-7.3760891058,-2.5969297704,0.0397332827,0.0397332827,GGA+U,P4bm,A2B8C2D_tP26_100_c_abcd_c_a:Na-O-P-V,26.0,A2B8C2D_tP26_100_c_abcd_c_a:Na-O-P-V +mp-1094113,NaV2P2O9,-8.0177635711,-2.6722535105,0.0,-0.0084740139,GGA+U,Pnma,AB9C2D2_oP56_62_c_5c2d_2c_ac:Na-O-P-V,56.0,"Invalid WP multiplicities - AB9C2D2_oP56_62_c_7c2d_2c_ac:Na-O-P-V, expected NaV2P2O11 to be NaV2P2O9" +mp-557634,NaV3(PO4)3,-8.1589697629,-2.6761057861,0.0,-0.0077393334,GGA+U,Imma,AB12C3D3_oI76_74_e_hi2j_ef_cf:Na-O-P-V,38.0,"Invalid WP multiplicities - AB12C3D3_oI76_74_e_3h4i10j_e2f_2c2f:Na-O-P-V, expected NaV6P5O54 to be NaV3(PO4)3" +mp-14391,Na3VP8O23,-7.4831786028,-2.6222716781,0.0,-0.0163645113,GGA+U,P4_132,A3B23C8D_cP140_213_d_cd3e_ce_a:Na-O-P-V,140.0,"Invalid WP multiplicities - A3B23C8D_cP140_213_d_c3d5e_c2e_a:Na-O-P-V, expected Na3VP14O41 to be Na3VP8O23" +mp-1199770,NaVZnP2O9,-7.2398167009,-2.4531753875,0.0430948891,0.0430948891,GGA+U,P2_1/c,AB9C2DE_mP56_14_e_9e_2e_e_e:Na-O-P-V-Zn,56.0,AB9C2DE_mP56_14_e_9e_2e_e_e:Na-O-P-V-Zn +mp-1191760,Na5V2(PO5)3,-7.0367764276,-2.4279493558,0.1191247301,0.1191247301,GGA+U,Cm,A5B15C3D2_mC50_8_a2b_3a6b_ab_b:Na-O-P-V,25.0,A5B15C3D2_mC50_8_a2b_3a6b_ab_b:Na-O-P-V +mp-764171,NaV2(PO4)3,-7.8949681122,-2.6121620295,0.0187452479,0.0187452479,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Na-O-P-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_7e:Na-O-P-V, expected NaV7(PO5)9 to be NaV2(PO4)3" +mp-764294,Na5V4(PO4)6,-7.612233356,-2.6340642571,0.0455422338,0.0455422338,GGA+U,Pc,A5B24C6D4_mP78_7_5a_24a_6a_4a:Na-O-P-V,78.0,A5B24C6D4_mP78_7_10a_48a_12a_8a:Na-O-P-V +mp-1012791,NaV3P3O13,-8.1297945785,-2.6737393650000003,0.0074095048,0.0074095048,GGA+U,P2_1/m,AB13C3D3_mP40_11_e_7e3f_3e_a2e:Na-O-P-V,40.0,"Invalid WP multiplicities - AB13C3D3_mP40_11_e_12e11f_3e_2a3e:Na-O-P-V, expected NaV5P3O34 to be NaV3P3O13" +mp-761059,Na3V2(PO4)3,-7.531138229,-2.6443602252,0.0350008533,0.0134016055,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Na-O-P-V,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_9e_45e_9e_3e:Na-O-P-V, expected Na3V(PO5)3 to be Na3V2(PO4)3" +mp-776557,Na3V2(PO4)3,-7.5661390822,-2.6793610785,0.0,-0.0215992478,GGA+U,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:Na-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_af_23f_2e3f_f:Na-O-P-V, expected Na3V2(P4O23)2 to be Na3V2(PO4)3" +mp-760126,Na2V2(PO4)3,-7.7184833005,-2.6441130488,0.0357517709,0.0357517709,GGA+U,P2_1/c,A2B12C3D2_mP76_14_2e_12e_3e_2e:Na-O-P-V,76.0,"Invalid WP multiplicities - A2B12C3D2_mP76_14_5e_45e_11e_7e:Na-O-P-V, expected Na5V7P11O45 to be Na2V2(PO4)3" +mp-752810,NaVP2O7,-7.7917635114,-2.7135946609,0.0,-0.0390348761,GGA+U,P2_1,AB7C2D_mP22_4_a_7a_2a_a:Na-O-P-V,44.0,AB7C2D_mP22_4_a_7a_2a_a:Na-O-P-V +mp-17479,NaVP2O7,-7.7910040348,-2.7128351843000003,0.0007594766,-0.0382753995,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-V,44.0,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-V +mp-559869,Na2VPO6,-7.2056452812,-2.5234061381,0.0,-0.011689759,GGA+U,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:Na-O-P-V,40.0,"Invalid WP multiplicities - A2B6CD_mP40_14_5e_21e_e_e:Na-O-P-V, expected Na5VPO21 to be Na2VPO6" +mp-761051,Na2VPO6,-7.1846158078,-2.5023766646,0.0210294735,0.0093397145,GGA+U,Pna2_1,A2B6CD_oP40_33_2a_6a_a_a:Na-O-P-V,40.0,"Invalid WP multiplicities - A2B6CD_oP40_33_5a_21a_a_a:Na-O-P-V, expected Na5VPO21 to be Na2VPO6" +mp-863292,Na3VP2O9,-7.089337096,-2.529451405,0.0334013127,0.0334013127,GGA+U,P2_1/m,A3B9C2D_mP30_11_ef_5e2f_2e_e:Na-O-P-V,30.0,A3B9C2D_mP30_11_ef_5e2f_2e_e:Na-O-P-V +mp-1193226,Na3VP2O9,-7.0927403603,-2.5328546693,0.0299980483,0.0299980483,GGA+U,C2/m,A3B9C2D_mC60_12_fgi_5i2j_2i_e:Na-O-P-V,30.0,A3B9C2D_mC60_12_egi_5i2j_2i_f:Na-O-P-V +mp-19291,NaVPO5,-7.7026334666,-2.6334862883,0.0,-0.0220752052,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Na-O-P-V,32.0,AB5CD_mP32_14_e_5e_e_e:Na-O-P-V +mp-763899,NaVPO5,-7.6720807103,-2.602933532,0.0305527562,0.0084775511,GGA+U,Pna2_1,AB5CD_oP32_33_a_5a_a_a:Na-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_33_a_13a_a_a:Na-O-P-V, expected NaVPO13 to be NaVPO5" +mp-760911,NaVPO5,-7.6746847056,-2.6055375273,0.0279487609,0.0058735557,GGA+U,Pnma,AB5CD_oP32_62_a_3cd_c_c:Na-O-P-V,32.0,AB5CD_oP32_62_a_3cd_c_c:Na-O-P-V +mp-705037,Na4VP2O9,-6.9561409316,-2.5985902654,0.0,-0.0112768859,GGA+U,Pbca,A4B9C2D_oP128_61_4c_9c_2c_c:Na-O-P-V,128.0,"Invalid WP multiplicities - A4B9C2D_oP128_61_26c_66c_6c_c:Na-O-P-V, expected Na26V(PO11)6 to be Na4VP2O9" +mp-759218,NaV(PO4)2,-7.5952075327,-2.5279953605000003,0.0316312319,0.0316312319,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:Na-O-P-V,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_23e_3e_e:Na-O-P-V, expected NaVP3O23 to be NaV(PO4)2" +mp-779031,NaV(PO4)2,-7.5826754617,-2.5154632894,0.0441633029,0.0441633029,GGA+U,P4_2nm,AB8C2D_tP48_102_c_2ab2c2d_2c_b:Na-O-P-V,48.0,"Invalid WP multiplicities - AB8C2D_tP48_102_c_4a3b8c14d_6c_b:Na-O-P-V, expected NaVP6O41 to be NaV(PO4)2" +mp-1180297,NaV2(PO7)2,-6.9604601668,-1.7199030929,0.3262661322,0.3262661322,GGA+U,P1,AB14C2D2_aP19_1_a_14a_2a_2a:Na-O-P-V,19.0,AB14C2D2_aP19_1_a_14a_2a_2a:Na-O-P-V +mp-1221289,Na3V2PO9,-7.2727516088,-2.4681590136,0.0075617957,0.0075617957,GGA+U,P1,A3B9CD2_aP60_1_12a_36a_4a_8a:Na-O-P-V,60.0,A3B9CD2_aP60_1_12a_36a_4a_8a:Na-O-P-V +mp-776555,NaV3P2O13,-7.9338902595,-2.4755849035,0.0,-0.0038877961,GGA+U,Pna2_1,AB13C2D3_oP76_33_a_13a_2a_3a:Na-O-P-V,76.0,"Invalid WP multiplicities - AB13C2D3_oP76_33_a_26a_4a_6a:Na-O-P-V, expected NaV6(P2O13)2 to be NaV3P2O13" +mp-558049,Na2V3P2O13,-7.7880046916,-2.5364883388,0.0,-0.0088436952,GGA+U,Pccn,A2B13C2D3_oP80_56_e_c6e_e_ce:Na-O-P-V,80.0,"Invalid WP multiplicities - A2B13C2D3_oP80_56_e_4c39e_e_4c4e:Na-O-P-V, expected NaV6PO41 to be Na2V3P2O13" +mp-726051,USiPbO6,-8.6310275178,-3.0633044758,0.0050322094,0.0050322094,GGA,P2_1/c,A6BCD_mP36_14_6e_e_e_e:O-Pb-Si-U,36.0,A6BCD_mP36_14_6e_e_e_e:O-Pb-Si-U +mp-728246,USiPbO7,-7.9477137648,-2.4420941559,0.3737174528,0.3737174528,GGA,P2_1/c,A7BCD_mP40_14_7e_e_e_e:O-Pb-Si-U,40.0,A7BCD_mP40_14_7e_e_e_e:O-Pb-Si-U +mp-1202774,USiH2PbO7,-7.7525254569,-2.5990547753,0.0227112437,0.0227112437,GGA,P2_1/c,A2B7CDE_mP48_14_2e_7e_e_e_e:H-O-Pb-Si-U,48.0,A2B7CDE_mP48_14_2e_7e_e_e_e:H-O-Pb-Si-U +mp-758420,VFe3Cu2(PO4)6,-7.6174832536,-2.2315741661,0.056836941,0.056836941,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cu-Fe-O-P-V, expected VFe3Cu2(PO10)6 to be VFe3Cu2(PO4)6" +mp-759517,V3FeCu2(PO4)6,-7.8109698703,-2.3909560683,0.0157853213,0.0157853213,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cu-Fe-O-P-V, expected V3FeCu2(PO10)6 to be V3FeCu2(PO4)6" +mp-774830,V3Fe2Cu(PO4)6,-7.8461092231,-2.3046839061,0.1614363081,0.1614363081,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cu-Fe-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Cu-Fe-O-P-V, expected V3Fe2Cu(PO10)6 to be V3Fe2Cu(PO4)6" +mp-1204454,VBr5N3,-4.1361079114,0.5148401436,1.0670407747,1.0670407747,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Br-N-V,36.0,A5B3C_oP36_62_3cd_cd_c:Br-N-V +mp-727951,VBr5N3,-3.6232736239,1.0276744311,1.5798750622000002,1.5798750622000002,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Br-N-V,36.0,A5B3C_oP36_62_3cd_cd_c:Br-N-V +mp-2229216,MgV2S4(Br2N3)2,-5.97046006,-0.526638029,0.3701679508,0.3701679508,GGA,P1,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Br-Mg-N-S-V,17.0,A4BC6D4E2_aP17_1_4a_a_6a_4a_2a:Br-Mg-N-S-V +mp-2229921,MgV2S4(Br2N3)2,-5.9713189324,-0.5274969013,0.3693090785,0.3693090785,GGA,P-1,A4BC6D4E2_aP17_2_2i_a_3i_2i_i:Br-Mg-N-S-V,17.0,"Invalid WP multiplicities - A4BC6D4E2_aP17_2_3i_a_4i_3i_i:Br-Mg-N-S-V, expected MgV2S6(Br3N4)2 to be MgV2S4(Br2N3)2" +mp-2229658,MgV2S4(Br2N3)2,-5.9732502971,-0.529428266,0.3673777137,0.3673777137,GGA,P-1,A4BC6D4E2_aP17_2_2i_a_3i_2i_i:Br-Mg-N-S-V,17.0,"Invalid WP multiplicities - A4BC6D4E2_aP17_2_3i_a_4i_3i_i:Br-Mg-N-S-V, expected MgV2S6(Br3N4)2 to be MgV2S4(Br2N3)2" +mp-559911,V4S9Br4,-5.8469148956,-1.1542215778,0.0,-0.0744875696,GGA,P4/nmm,A4B9C4_tP34_129_j_c2i_j:Br-S-V,34.0,"Invalid WP multiplicities - A4B9C4_tP34_129_j_2c11i_j:Br-S-V, expected V2S23Br2 to be V4S9Br4" +mp-555484,VS2Br2N3,-6.1191605925,-0.4351171877,0.2168706794,0.2168706794,GGA,P-1,A2B3C2D_aP16_2_2i_3i_2i_i:Br-N-S-V,16.0,"Invalid WP multiplicities - A2B3C2D_aP16_2_3i_4i_3i_i:Br-N-S-V, expected VS3Br3N4 to be VS2Br2N3" +mp-1202966,CuAs2H3OF13,-4.7939473201,-2.1243704749,0.0,-0.0015633316,GGA,Pnma,A2BC13D3E_oP80_62_2c_a_5c4d_cd_c:As-Cu-F-H-O,80.0,A2BC13D3E_oP80_62_2c_a_5c4d_cd_c:As-Cu-F-H-O +mp-1147541,Cu3As4(OF)6,-5.4906037847,-1.696756432,0.0730349954,0.0730349954,GGA,I-43m,A4B3C6D6_cI38_217_c_b_d_e:As-Cu-F-O,19.0,A4B3C6D6_cI38_217_c_b_d_e:As-Cu-F-O +mp-568107,AlGe2P(H3C)8,-4.9846525347,-0.1607724495,0.0850861996,0.0850861996,GGA,P-1,AB8C2D24E_aP72_2_i_8i_2i_24i_i:Al-C-Ge-H-P,72.0,"Invalid WP multiplicities - AB8C2D24E_aP72_2_i_14i_4i_48i_i:Al-C-Ge-H-P, expected AlGe4P(H24C7)2 to be AlGe2P(H3C)8" +mp-1224235,K6Ba2CaU6O24,-8.4441489674,-3.3422276194,0.0184411132,0.0184411132,GGA,Cmmm,A2BC6D24E6_oC78_65_f_b_eo_ghm4n_acn:Ba-Ca-K-O-U,39.0,"Invalid WP multiplicities - A2BC6D24E6_oC78_65_f_b_eo_2g2h2m14n_ac2n:Ba-Ca-K-O-U, expected K6Ba2CaU10O72 to be K6Ba2CaU6O24" +mp-691065,K6Ba2CaU6O24,-8.4398640431,-3.3379426951,0.0227260376,0.0227260376,GGA,Cmme,A2BC6D24E6_oC156_67_l_g_cdlm_abl2m8n_ef2gn:Ba-Ca-K-O-U,78.0,"Invalid WP multiplicities - A2BC6D24E6_oC156_67_l_g_2cd3l4m_2a2b4l8m32n_2e2f4g3n:Ba-Ca-K-O-U, expected K17Ba2CaU14O92 to be K6Ba2CaU6O24" +mp-1223997,K4BaU3O12,-8.212508071,-3.2327548064,0.0145912954,0.0145912954,GGA,R-3m,AB4C12D3_hR60_166_a_be_fh_d:Ba-K-O-U,20.0,AB4C12D3_hR60_166_a_be_fh_d:Ba-K-O-U +mp-19965,K4BaU3O12,-8.191445164,-3.2116918993,0.0356542024,0.0356542024,GGA,Im-3m,AB4C12D3_cI40_229_a_c_de_b:Ba-K-O-U,20.0,AB4C12D3_cI40_229_a_c_de_b:Ba-K-O-U +mp-579086,KSrNb2O6F,-8.1718725445,-3.2087712977,0.0,-0.007013663,GGA,Immm,ABC2D6E_oI44_71_g_e_n_ef2n_bc:F-K-Nb-O-Sr,22.0,"Invalid WP multiplicities - ABC2D6E_oI44_71_g_e_n_2e2f7n_bc:F-K-Nb-O-Sr, expected KSrNb2O18F to be KSrNb2O6F" +mp-1194509,K2SbH5O6,-5.4256998471,-1.6404454452,0.0,-0.0029530791,GGA,P-1,A5B2C6D_aP28_2_5i_2i_6i_i:H-K-O-Sb,28.0,A5B2C6D_aP28_2_5i_2i_6i_i:H-K-O-Sb +mp-5626,K3SbTe3,-3.3768621961,-0.9639885159,0.0,-0.0637842954,GGA,P2_13,A3BC3_cP28_198_3a_a_b:K-Sb-Te,28.0,A3BC3_cP28_198_3a_a_b:K-Sb-Te +mp-1205007,KSb2Te2(HO2)2,-5.1563379617,-1.3174997663,0.0723154063,0.0723154063,GGA,R-3,A2BC4D2E2_hR198_148_2f_f_4f_2f_2f:H-K-O-Sb-Te,66.0,A2BC4D2E2_hR198_148_2f_f_4f_2f_2f:H-K-O-Sb-Te +mp-1223581,K8Sb2Te,-2.4146055255,-0.5705600755,0.0751783227,0.0751783227,GGA,I-4m2,A8B2C_tI22_119_j_ac_b:K-Sb-Te,11.0,A8B2C_tI22_119_j_ac_b:K-Sb-Te +mp-1516327,KSrTbWO6,-7.94955919,-2.9423070902,0.0086072618,0.0086072618,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sr-Tb-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sr-Tb-W +mp-866812,UTa2S6Cl6O,-6.4515323034,-1.710058982,0.0,-0.0617030917,GGA,P-1,A6BC6D2E_aP32_2_6i_i_6i_2i_i:Cl-O-S-Ta-U,32.0,A6BC6D2E_aP32_2_6i_i_6i_2i_i:Cl-O-S-Ta-U +mp-560884,TaSCl7O,-4.9371312663,-1.5490639834,0.0,-0.0061954592,GGA,Pnma,A7BCD_oP40_62_3c2d_c_c_c:Cl-O-S-Ta,40.0,"Invalid WP multiplicities - A7BCD_oP40_62_10c12d_c_c_c:Cl-O-S-Ta, expected TaSCl34O to be TaSCl7O" +mp-1229175,Cs4H4SeS3O16,-5.8557892011,-1.8484751251,0.0018836463,0.0018836463,GGA,P1,A4B4C16D3E_aP28_1_4a_4a_16a_3a_a:Cs-H-O-S-Se,28.0,A4B4C16D3E_aP28_1_4a_4a_16a_3a_a:Cs-H-O-S-Se +mp-720532,HOs7C20O19,-8.5020509731,-0.8308872833000001,0.2552855919,0.2552855919,GGA,P2_1/c,A20BC19D7_mP188_14_20e_e_19e_7e:C-H-O-Os,188.0,A20BC19D7_mP188_14_20e_e_19e_7e:C-H-O-Os +mp-740758,H2Os4Pt(CO)15,-8.1913403186,-0.8833303677000001,0.2254097574,0.2254097574,GGA,P2_1/c,A15B2C15D4E_mP148_14_15e_2e_15e_4e_e:C-H-O-Os-Pt,148.0,A15B2C15D4E_mP148_14_15e_2e_15e_4e_e:C-H-O-Os-Pt +mp-707849,H2Os5(CO)16,-8.3262628402,-0.8973408787,0.2226309296,0.2226309296,GGA,Pnma,A16B2C16D5_oP156_62_4c6d_d_4c6d_3cd:C-H-O-Os,156.0,A16B2C16D5_oP156_62_4c6d_d_4c6d_3cd:C-H-O-Os +mp-1200078,HOs4C13O15,-8.175785847,-0.8280531853,0.3970395887,0.3970395887,GGA,C2/c,A13BC15D4_mC264_15_13f_f_15f_4f:C-H-O-Os,,A13BC15D4_mC264_15_13f_f_15f_4f:C-H-O-Os +mp-720469,H6Os5Pt2(CO)17,-7.8138205538,-0.8007039257,0.2358005158,0.2358005158,GGA,P2_1/c,A17B6C17D5E2_mP188_14_17e_6e_17e_5e_2e:C-H-O-Os-Pt,188.0,A17B6C17D5E2_mP188_14_17e_6e_17e_5e_2e:C-H-O-Os-Pt +mp-600347,H2Os3(CO)10,-8.1725318016,-0.8836879449,0.2261442607,0.2261442607,GGA,P-1,A10B2C10D3_aP50_2_10i_2i_10i_3i:C-H-O-Os,50.0,"Invalid WP multiplicities - A10B2C10D3_aP50_2_18i_3i_20i_5i:C-H-O-Os, expected H3Os5(C9O10)2 to be H2Os3(CO)10" +mp-650695,Os2Pt(CO)9,-8.3511609902,-0.9176345133,0.2204437285,0.2204437285,GGA,Pna2_1,A9B9C2D_oP168_33_18a_18a_4a_2a:C-O-Os-Pt,168.0,"Invalid WP multiplicities - A9B9C2D_oP168_33_68a_68a_16a_6a:C-O-Os-Pt, expected Os8Pt3(CO)34 to be Os2Pt(CO)9" +mp-723031,H4Os3C10O9,-7.8387954744,-0.7595700976,0.2512351102,0.2512351102,GGA,P-1,A10B4C9D3_aP104_2_20i_8i_18i_6i:C-H-O-Os,104.0,A10B4C9D3_aP104_2_20i_8i_18i_6i:C-H-O-Os +mp-615529,Os2Pt(CO)10,-8.3364018991,-0.932949281,0.2216228484,0.2216228484,GGA,P-1,A10B10C2D_aP46_2_10i_10i_2i_i:C-O-Os-Pt,46.0,"Invalid WP multiplicities - A10B10C2D_aP46_2_19i_19i_4i_i:C-O-Os-Pt, expected Os4Pt(CO)19 to be Os2Pt(CO)10" +mp-707478,H6Os5Pt(CO)16,-7.845408038,-0.8142718107,0.2325507541,0.2325507541,GGA,P2_1/c,A16B6C16D5E_mP176_14_16e_6e_16e_5e_e:C-H-O-Os-Pt,176.0,A16B6C16D5E_mP176_14_16e_6e_16e_5e_e:C-H-O-Os-Pt +mp-555099,Na3Eu(CO3)3,-7.6674310672,-2.2655077822,0.0,-0.101779964,GGA,Ama2,A3BC3D9_oC64_40_bc_b_a2b_3b3c:C-Eu-Na-O,32.0,"Invalid WP multiplicities - A3BC3D9_oC64_40_bc_b_2a4b_4b12c:C-Eu-Na-O, expected Na6EuC3O28 to be Na3Eu(CO3)3" +mp-556836,Na2EuC(OF)3,-7.1150047045,-2.8444826129000003,0.0,-0.024517463,GGA,Pbca,ABC3D2E3_oP80_61_c_c_3c_2c_3c:C-Eu-F-Na-O,80.0,"Invalid WP multiplicities - ABC3D2E3_oP80_61_c_c_17c_8c_13c:C-Eu-F-Na-O, expected Na8EuCO13F17 to be Na2EuC(OF)3" +mp-1199808,Tl2NiH12(SO7)2,-5.6220563023,-1.4690021989,0.0,-0.0057537068,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-S-Tl,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-S-Tl +mp-8129,NiC2(SN)2,-7.0551497714,-0.0289558788,0.2322301714,0.2322301714,GGA,C2/m,A2B2CD2_mC14_12_i_i_a_i:C-N-Ni-S,7.0,A2B2CD2_mC14_12_i_i_a_i:C-N-Ni-S +mp-672303,CsNiC3(SN)3,-6.790272797,-0.2647846238,0.1489893444,0.1489893444,GGA,P2_1/c,A3BC3DE3_mP44_14_3e_e_3e_ad_3e:C-Cs-N-Ni-S,44.0,"Invalid WP multiplicities - A3BC3DE3_mP44_14_9e_e_10e_2a2d_8e:C-Cs-N-Ni-S, expected CsNi2C9(S4N5)2 to be CsNiC3(SN)3" +mp-1102751,NiC2(SN3)2,-5.9459609427,1.5567060526,1.7229153573,1.7229153573,GGA,C2/m,A2B6CD2_mC22_12_i_ij_a_i:C-N-Ni-S,11.0,A2B6CD2_mC22_12_i_ij_a_i:C-N-Ni-S +mp-14484,KNaLi2(SO4)2,-6.1532941959,-2.2892099532,0.0,-0.0050257701,GGA,P2_12_12_1,AB2CD8E2_oP56_19_a_2a_a_8a_2a:K-Li-Na-O-S,56.0,AB2CD8E2_oP56_19_a_2a_a_8a_2a:K-Li-Na-O-S +mp-6179,KLiSO4,-6.155285165,-2.3063528042,0.0001938871,-0.0109809318,GGA,P6_3,ABC4D_hP14_173_a_b_bc_b:K-Li-O-S,14.0,"Invalid WP multiplicities - ABC4D_hP14_173_a_b_2b3c_b:K-Li-O-S, expected KLiSO11 to be KLiSO4" +mp-6318,KLiSO4,-6.1554033236,-2.3064709628,7.57286e-05,-0.0110990904,GGA,Cc,ABC4D_mC28_9_a_a_4a_a:K-Li-O-S,14.0,ABC4D_mC28_9_a_a_4a_a:K-Li-O-S +mp-560614,KLiSO4,-6.1466663275,-2.2977339667,0.0088127246,-0.0023620943,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:K-Li-O-S,28.0,"Invalid WP multiplicities - ABC4D_oP28_33_a_a_14a_a:K-Li-O-S, expected KLiSO14 to be KLiSO4" +mp-6800,KLiSO4,-6.1554790521000005,-2.3065466914,0.0,-0.0111748189,GGA,P31c,ABC4D_hP14_159_a_b_bc_b:K-Li-O-S,14.0,"Invalid WP multiplicities - ABC4D_hP14_159_a_b_b2c_b:K-Li-O-S, expected KLiSO7 to be KLiSO4" +mp-6783,NaLiSO4,-6.1409123298,-2.2616762052,0.0001454697,0.0001454697,GGA,P31c,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Na-O-S,42.0,ABC4D_hP42_159_c_c_a2b3c_a2b:Li-Na-O-S +mp-1246010,Li2AgN,-3.8531677256,-0.1064435602,0.2383008535,0.2383008535,GGA,Pca2_1,AB2C_oP16_29_a_2a_a:Ag-Li-N,16.0,AB2C_oP16_29_a_2a_a:Ag-Li-N +mp-1222677,LiAg2(NO2)3,-5.9680005137,-0.7793628541000001,0.0838630874,0.0838630874,GGA,Cc,A2BC3D6_mC48_9_2a_a_3a_6a:Ag-Li-N-O,24.0,"Invalid WP multiplicities - A2BC3D6_mC48_9_3a_a_4a_8a:Ag-Li-N-O, expected LiAg3(NO2)4 to be LiAg2(NO2)3" +mp-985575,LiAg(CO2)2,-6.8730538469,-1.4998582594,0.173280673,0.173280673,GGA,P-1,AB2CD4_aP16_2_i_2i_i_4i:Ag-C-Li-O,16.0,AB2CD4_aP16_2_i_2i_i_4i:Ag-C-Li-O +mp-985571,LiAg(CO2)2,-6.8754800931,-1.5022845056,0.1708544267,0.1708544267,GGA,P2_1,AB2CD4_mP16_4_a_2a_a_4a:Ag-C-Li-O,16.0,AB2CD4_mP16_4_a_2a_a_4a:Ag-C-Li-O +mp-985572,LiAg(CO2)2,-6.8740508344,-1.5008552469,0.1722836855,0.1722836855,GGA,Pc,AB2CD4_mP16_7_a_2a_a_4a:Ag-C-Li-O,16.0,AB2CD4_mP16_7_a_2a_a_4a:Ag-C-Li-O +mp-1222426,LiCNO,-7.3476680225,-1.2424750236,0.0539287424,0.0539287424,GGA,R3m,ABCD_hR12_160_a_a_a_a:C-Li-N-O,4.0,ABCD_hR12_160_a_a_a_a:C-Li-N-O +mp-571454,LiAgC2,-5.422422225,0.3772802388,0.4881647437,0.4881647437,GGA,P-6m2,AB2C_hP4_187_a_g_d:Ag-C-Li,4.0,AB2C_hP4_187_a_g_d:Ag-C-Li +mp-935266,LiC2NO6,-6.785772383,-0.9474842786,0.6947190448,0.6947190448,GGA,R-3,A2BCD6_hR30_148_c_a_b_f:C-Li-N-O,10.0,A2BCD6_hR30_148_c_a_b_f:C-Li-N-O +mp-1235346,LiAg2C2(NO)2,-6.3429403644,-0.4987477944,0.3983721683,0.3983721683,GGA,Pm,A2B2CD2E2_mP9_6_c_ab_a_ab_ab:Ag-C-Li-N-O,9.0,A2B2CD2E2_mP9_6_c_ab_a_ab_ab:Ag-C-Li-N-O +mp-1212219,LiZnBP2O11,-6.3654402415,-1.6724252987,0.4789931072,0.4789931072,GGA,P6_1,ABC11D2E_hP96_169_a_a_11a_2a_a:B-Li-O-P-Zn,96.0,ABC11D2E_hP96_169_a_a_11a_2a_a:B-Li-O-P-Zn +mp-756912,LiZnBO3,-6.4920231021,-2.3773357052,0.04559384,0.04559384,GGA,P1,ABC3D_aP24_1_4a_4a_12a_4a:B-Li-O-Zn,24.0,ABC3D_aP24_1_4a_4a_12a_4a:B-Li-O-Zn +mp-758855,LiZnBO3,-6.5139403733,-2.3992529765,0.0236765687,0.0236765687,GGA,P1,ABC3D_aP48_1_8a_8a_24a_8a:B-Li-O-Zn,48.0,ABC3D_aP48_1_8a_8a_24a_8a:B-Li-O-Zn +mp-1371937,LiZnBO3,-3.1414961525,0.9731912444,3.3961207896,3.3961207896,GGA,P1,ABC3D_aP24_1_4a_4a_12a_4a:B-Li-O-Zn,24.0,ABC3D_aP24_1_4a_4a_12a_4a:B-Li-O-Zn +mp-1222376,LiZnBO3,-6.5293846733,-2.4146972765,0.0082322687,0.0082322687,GGA,Cc,ABC3D_mC24_9_a_a_3a_a:B-Li-O-Zn,12.0,"Invalid WP multiplicities - ABC3D_mC24_9_a_a_4a_a:B-Li-O-Zn, expected LiZnBO4 to be LiZnBO3" +mp-756306,Li5Zn4(BO3)4,-6.3205226744,-2.2940658587,0.1007180163,0.1007180163,GGA,P1,A4B5C12D4_aP25_1_4a_5a_12a_4a:B-Li-O-Zn,25.0,A4B5C12D4_aP25_1_4a_5a_12a_4a:B-Li-O-Zn +mp-559880,K2Ag6Sn3S10,-4.1237869148,-0.6661989077,0.0,-0.0194046662,GGA,Pbcn,A6B2C10D3_oP84_60_3d_d_5d_cd:Ag-K-S-Sn,84.0,"Invalid WP multiplicities - A6B2C10D3_oP84_60_17d_d_36d_3c4d:Ag-K-S-Sn, expected K2Ag34Sn11S72 to be K2Ag6Sn3S10" +mp-1181173,K4Ag2Sn3S9O2,-4.1145501241,-0.6517076449,0.4850456829,0.4850456829,GGA,P2_1/m,A2B4C2D9E3_mP80_11_2f_4e2f_2ef_9f_3f:Ag-K-O-S-Sn,80.0,A2B4C2D9E3_mP80_11_2f_4e2f_2ef_9f_3f:Ag-K-O-S-Sn +mp-1200293,K4Ag2Sn3S9O2,-4.1907670945,-0.7279246153000001,0.4088287125,0.4088287125,GGA,P2_1/m,A2B4C2D9E3_mP80_11_2f_4e2f_2ef_9f_3f:Ag-K-O-S-Sn,80.0,A2B4C2D9E3_mP80_11_2f_4e2f_2ef_9f_3f:Ag-K-O-S-Sn +mp-1197599,Ag2Sn(S2O7)3,-6.2309077144,-1.6184461811,0.0,-0.0154570667,GGA,P-3,A2B21C6D_hP180_147_2g_21g_6g_c2d:Ag-O-S-Sn,180.0,A2B21C6D_hP180_147_2g_21g_6g_c2d:Ag-O-S-Sn +mp-24440,Na3SbH18S4O9,-4.9337460996,-1.2128419911,0.0081363403,0.0081363403,GGA,P2_13,A18B3C9D4E_cP140_198_6b_3a_3b_ab_a:H-Na-O-S-Sb,140.0,"Invalid WP multiplicities - A18B3C9D4E_cP140_198_9b_5a_3b_3a3b_a:H-Na-O-S-Sb, expected Na5SbH27(S4O3)3 to be Na3SbH18S4O9" +mp-1227037,Cs3K5Mo8(P2O11)4,-7.6813208466,-2.4465542866,0.0,-0.0100532231,GGA+U,P1,A3B5C8D44E8_aP68_1_3a_5a_8a_44a_8a:Cs-K-Mo-O-P,68.0,A3B5C8D44E8_aP68_1_3a_5a_8a_44a_8a:Cs-K-Mo-O-P +mp-699557,CsKMo4(P3O13)2,-7.9003125273,-2.4665724407000003,0.0024711402,0.0024711402,GGA+U,P2_1/c,ABC4D26E6_mP152_14_e_e_4e_26e_6e:Cs-K-Mo-O-P,152.0,"Invalid WP multiplicities - ABC4D26E6_mP152_14_e_e_14e_99e_20e:Cs-K-Mo-O-P, expected CsKMo14P20O99 to be CsKMo4(P3O13)2" +mp-1197813,Na2DyPWO8,-7.8219535185,-2.8068166066,0.0074754423,0.0074754423,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Dy-Na-O-P-W,52.0,AB2C8DE_oI104_73_c_f_4f_c_d:Dy-Na-O-P-W +mp-728942,CoHRu(CO)6,-7.8057127873,-0.8172080137000001,0.3109003195,0.3109003195,GGA+U,P2_1/c,A6BCD6E_mP120_14_12e_2e_2e_12e_2e:C-Co-H-O-Ru,120.0,A6BCD6E_mP120_14_12e_2e_2e_12e_2e:C-Co-H-O-Ru +mp-734828,CoHRu3(CO)13,-8.0631152353,-0.8823456834000001,0.2631458095,0.2631458095,GGA+U,P2_1/c,A13BCD13E3_mP124_14_13e_e_e_13e_3e:C-Co-H-O-Ru,124.0,A13BCD13E3_mP124_14_13e_e_e_13e_3e:C-Co-H-O-Ru +mp-1212544,Na3V3H6O7,-5.6436510347,-1.106678859,0.5881346475,0.5881346475,GGA+U,P1,A6B3C7D3_aP19_1_6a_3a_7a_3a:H-Na-O-V,19.0,A6B3C7D3_aP19_1_6a_3a_7a_3a:H-Na-O-V +mp-1237969,Na3V3H6O7,-5.7354472653,-1.1984750895,0.4963384169,0.4963384169,GGA+U,P1,A6B3C7D3_aP19_1_6a_3a_7a_3a:H-Na-O-V,19.0,A6B3C7D3_aP19_1_6a_3a_7a_3a:H-Na-O-V +mp-1220238,RbNa2V5H10O19,-6.6913965235,-1.9087083891,0.0243531379,0.0243531379,GGA+U,P-1,A10B2C19DE5_aP74_2_10i_2i_19i_i_5i:H-Na-O-Rb-V,74.0,A10B2C19DE5_aP74_2_10i_2i_19i_i_5i:H-Na-O-Rb-V +mp-764629,Rb3NaV4H2O13,-7.1031871017,-2.2470063571,0.0096730701,0.0096730701,GGA+U,Pnma,A2BC13D3E4_oP92_62_d_c_3c5d_3c_2d:H-Na-O-Rb-V,92.0,"Invalid WP multiplicities - A2BC13D3E4_oP92_62_d_c_9c20d_9c_5d:H-Na-O-Rb-V, expected Rb9NaV10H2O49 to be Rb3NaV4H2O13" +mp-554275,Na4VHO5,-5.9473596359,-2.0837071955,0.0090339727,0.0090339727,GGA+U,Pnma,AB4C5D_oP44_62_c_acd_3cd_c:H-Na-O-V,44.0,"Invalid WP multiplicities - AB4C5D_oP44_62_c_3a4c4d_12c8d_c:H-Na-O-V, expected Na15VHO28 to be Na4VHO5" +mp-1201033,Na3V5H26O27,-6.0947565806,-1.6495339805,0.0213239445,0.0213239445,GGA+U,P-1,A26B3C27D5_aP122_2_26i_3i_27i_5i:H-Na-O-V,122.0,A26B3C27D5_aP122_2_26i_3i_27i_5i:H-Na-O-V +mp-1221471,Na3V(H14O11)2,-5.3510109257,-1.3348079099,0.0024089176,0.0024089176,GGA+U,P1,A28B3C22D_aP54_1_28a_3a_22a_a:H-Na-O-V,54.0,A28B3C22D_aP54_1_28a_3a_22a_a:H-Na-O-V +mp-1196902,Na3V5H18O23,-6.3172723961,-1.7411496329,0.0249255749,0.0249255749,GGA+U,P-1,A18B3C23D5_aP98_2_18i_3i_23i_5i:H-Na-O-V,98.0,A18B3C23D5_aP98_2_18i_3i_23i_5i:H-Na-O-V +mp-1199993,Na3V5(H12O13)2,-6.139630663,-1.6667610457,0.0242074261,0.0242074261,GGA+U,P-1,A24B3C26D5_aP116_2_24i_3i_26i_5i:H-Na-O-V,116.0,A24B3C26D5_aP116_2_24i_3i_26i_5i:H-Na-O-V +mp-643263,Na3VH6O7,-5.7499114535,-1.7478726771000002,0.0110641469,0.0110641469,GGA+U,R3,A6B3C7D_hR51_146_2b_b_a2b_a:H-Na-O-V,17.0,A6B3C7D_hR51_146_2b_b_a2b_a:H-Na-O-V +mp-1198581,Cs2V5H5O16,-7.192512185,-2.0739055886,0.0136350018,0.0136350018,GGA+U,P2_1/c,A2B5C16D5_mP112_14_2e_5e_16e_5e:Cs-H-O-V,112.0,A2B5C16D5_mP112_14_2e_5e_16e_5e:Cs-H-O-V +mp-23749,VH12(ClO2)3,-5.2348087373,-1.370155971,0.0,-0.0122803098,GGA+U,P2_1/c,A3B12C6D_mP44_14_ae_6e_3e_d:Cl-H-O-V,44.0,"Invalid WP multiplicities - A3B12C6D_mP44_14_a2e_6e_5e_b:Cl-H-O-V, expected VH12(ClO2)5 to be VH12(ClO2)3" +mp-1204913,Cs2V2H2O7,-6.8763986788,-2.1555609902,0.0009407002,0.0009407002,GGA+U,Pbcm,A2B2C7D2_oP52_57_2d_e_c2d2e_e:Cs-H-O-V,52.0,A2B2C7D2_oP52_57_2d_e_c2d2e_e:Cs-H-O-V +mp-644672,Cs3VH8(Cl3O2)2,-4.8277028959,-1.6554348799,0.0,-0.0056955092,GGA+U,Immm,A6B3C8D4E_oI44_71_en_cg_o_l_b:Cl-Cs-H-O-V,22.0,A6B3C8D4E_oI44_71_en_cg_o_l_b:Cl-Cs-H-O-V +mp-1096946,Cs2VHO4,-6.33439245,-2.077618487,0.0,-0.0059292709,GGA+U,Cmc2_1,A2BC4D_oC32_36_2a_a_2ab_a:Cs-H-O-V,16.0,"Invalid WP multiplicities - A2BC4D_oC32_36_2a_a_3a2b_a:Cs-H-O-V, expected Cs2VHO7 to be Cs2VHO4" +mp-505349,KCuPO4,-6.52958595,-2.185348383,0.020054562,0.0178978496,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Cu-K-O-P,28.0,ABC4D_mP28_4_2a_2a_8a_2a:Cu-K-O-P +mp-649472,KCuPO4,-6.549640512,-2.205402945,0.0,-0.0021567123,GGA,Pbca,ABC4D_oP56_61_c_c_4c_c:Cu-K-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_61_c_c_23c_c:Cu-K-O-P, expected KCuPO23 to be KCuPO4" +mp-1199970,KFeCu(PO4)2,-7.2159665412,-2.2867556542,0.0062001035,0.0062001035,GGA+U,P2_1/c,ABCD8E2_mP52_14_e_e_e_8e_2e:Cu-Fe-K-O-P,52.0,ABCD8E2_mP52_14_e_e_e_8e_2e:Cu-Fe-K-O-P +mp-554160,K2CuP2O7,-6.72308354,-2.4086309937,0.0045844296,-0.0008710309,GGA,Pnma,AB2C7D2_oP48_62_c_2c_3c2d_2c:Cu-K-O-P,48.0,"Invalid WP multiplicities - AB2C7D2_oP48_62_c_4c_12c13d_4c:Cu-K-O-P, expected K4Cu(P2O19)2 to be K2CuP2O7" +mp-1190935,K2CuP2O7,-6.7276679696,-2.4132154232,0.0,-0.0054554605,GGA,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Cu-K-O-P,24.0,AB2C7D2_tP24_113_a_e_cef_e:Cu-K-O-P +mp-6598,K2Cu(PO3)4,-7.0804649721,-2.4839660708,0.0,-0.0094712629,GGA,Cc,AB2C12D4_mC76_9_a_2a_12a_4a:Cu-K-O-P,38.0,AB2C12D4_mC76_9_a_2a_12a_4a:Cu-K-O-P +mp-559343,KCu4(PO4)3,-6.6363822118,-1.9810123277,0.0050498089,0.0050498089,GGA,P-1,A4BC12D3_aP40_2_4i_i_12i_3i:Cu-K-O-P,40.0,"Invalid WP multiplicities - A4BC12D3_aP40_2_6i_i_24i_5i:Cu-K-O-P, expected KCu6P5O24 to be KCu4(PO4)3" +mp-753653,LiTi2P4H3O16,-7.5632419277,-2.6140759876,0.0564594062,0.0564594062,GGA,P1,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Ti,26.0,A3BC16D4E2_aP26_1_3a_a_16a_4a_2a:H-Li-O-P-Ti +mp-1224126,K2AlSn(PO4)3,-7.2514742392,-2.7474680479,0.009065458,0.009065458,GGA,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Al-K-O-P-Sn,76.0,AB2C12D3E_cP76_198_a_2a_4b_b_a:Al-K-O-P-Sn +mp-1216765,V2Co9W,-8.0603138767,-0.1352469996,0.0078594931,0.0078594931,GGA,R3m,A9B2C_hR36_160_3b_2a_a:Co-V-W,12.0,A9B2C_hR36_160_3b_2a_a:Co-V-W +mp-757526,Li4V3Co3(WO8)2,-7.7025551482,-1.9427107589,0.2715773704,0.2715773704,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Co-Li-O-V-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Co-Li-O-V-W, expected Li4V3Co3(WO10)2 to be Li4V3Co3(WO8)2" +mp-723704,Pt(NF3)2,-3.8162538956,-0.0148097872,1.1201153636,1.1201153636,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:F-N-Pt,9.0,A6B2C_cF36_225_e_c_a:F-N-Pt +mp-1196042,Na2H18Pt(NF)6,-4.9336266641,-0.9556540559,0.2111996886,0.2111996886,GGA,C2/c,A6B18C6D2E_mC132_15_3f_9f_3f_f_a:F-H-N-Na-Pt,66.0,A6B18C6D2E_mC132_15_3f_9f_3f_f_c:F-H-N-Na-Pt +mp-1245906,NaPtN,-5.0754429583,0.1679415545,0.5158785996,0.5158785996,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Pt,6.0,ABC_hP6_186_b_b_a:N-Na-Pt +mp-1192379,Na2PtF6,-4.6278559593,-2.385071769,0.0,-0.2067051087,GGA,P321,A6B2C_hP27_150_3g_ef_ad:F-Na-Pt,27.0,A6B2C_hP27_150_3g_ef_ad:F-Na-Pt +mp-995194,KBaSiHO4,-6.6696037875,-2.7153321866,0.0107181029,0.0107181029,GGA,P2_1,ABCD4E_mP16_4_a_a_a_4a_a:Ba-H-K-O-Si,16.0,ABCD4E_mP16_4_a_a_a_4a_a:Ba-H-K-O-Si +mp-1204122,La2SiC(NO2)2,-8.8241455725,-2.7255713297,0.0,-0.0150855118,GGA,P2_1/c,AB2C2D4E_mP40_14_e_2e_2e_4e_e:C-La-N-O-Si,40.0,AB2C2D4E_mP40_14_e_2e_2e_4e_e:C-La-N-O-Si +mp-1105530,KZnB(H2Cl)2,-3.7916136944,-0.8674457136,0.0156137473,0.0156137473,GGA,P2_1/m,AB2C4DE_mP18_11_e_2e_2ef_e_e:B-Cl-H-K-Zn,18.0,AB2C4DE_mP18_11_e_2e_2ef_e_e:B-Cl-H-K-Zn +mp-1211544,KZnH2Cl3,-2.7711843161000003,-0.6710122265,0.6623176086,0.6623176086,GGA,P2_1/c,A3B2CD_mP28_14_3e_2e_e_e:Cl-H-K-Zn,28.0,A3B2CD_mP28_14_3e_2e_e_e:Cl-H-K-Zn +mp-1211419,KZnHCl3,-3.0592620312,-1.1745156009,0.3810358734,0.3810358734,GGA,P2_12_12_1,A3BCD_oP24_19_3a_a_a_a:Cl-H-K-Zn,24.0,A3BCD_oP24_19_3a_a_a_a:Cl-H-K-Zn +mp-1202564,CaRe3H9(S2O3)2,-6.3675504663,-1.3197397022,0.0342081538,0.0342081538,GGA,P-3,AB9C6D3E4_hP46_147_d_3g_2g_g_cg:Ca-H-O-Re-S,46.0,AB9C6D3E4_hP46_147_d_3g_2g_g_cg:Ca-H-O-Re-S +mp-1516219,KPrEuWO6,-8.7095322328,-2.8308753328,0.0382761706,0.0382761706,GGA+U,Pnnn,ABC6DE_oP40_48_ab_cd_3m_e_f:Eu-K-O-Pr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_ab_2c2d_6m_e_f:Eu-K-O-Pr-W, expected K2PrEuWO12 to be KPrEuWO6" +mp-1516456,KPrEuWO6,-8.685184159,-2.8065272591,0.0626242443,0.0626242443,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Pr-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Pr-W +mp-600226,MnH12(C2N5)2,-6.3310426833,-0.0290301258,0.3214243266,0.3214243266,GGA,P2_1,A4B12CD10_mP54_4_4a_12a_a_10a:C-H-Mn-N,54.0,"Invalid WP multiplicities - A4B12CD10_mP54_4_7a_23a_a_20a:C-H-Mn-N, expected MnH23C7N20 to be MnH12(C2N5)2" +mp-1195586,MnH6(CN2)4,-7.0394207138,-0.0328421384,0.2872009482,0.2872009482,GGA,P-1,A4B6CD8_aP76_2_8i_12i_2i_16i:C-H-Mn-N,76.0,A4B6CD8_aP76_2_8i_12i_2i_16i:C-H-Mn-N +mp-1198837,MnTe2H20(CN)4,-5.220860721,-0.2671900871,0.0721730829,0.0721730829,GGA,C2/c,A4B20CD4E2_mC124_15_2f_10f_a_2f_f:C-H-Mn-N-Te,62.0,A4B20CD4E2_mC124_15_2f_10f_c_2f_f:C-H-Mn-N-Te +mp-1200509,MnH36(C5N)12,-7.185159219,0.0172079513,0.2055198929,0.2055198929,GGA,P-1,A60B36CD12_aP109_2_30i_18i_a_6i:C-H-Mn-N,109.0,A60B36CD12_aP109_2_30i_18i_a_6i:C-H-Mn-N +mp-1247319,CsSbN2,-5.2754944888,0.1488538768,0.5295402109,0.5295402109,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cs-N-Sb,64.0,AB2C_oP64_61_2c_4c_2c:Cs-N-Sb +mp-622000,Cs3Sb2N3(O3F2)3,-5.8814131085,-1.8839015182,0.045724531,0.045724531,GGA,C2/c,A3B6C3D9E2_mC92_15_af_3f_ef_e4f_f:Cs-F-N-O-Sb,46.0,"Invalid WP multiplicities - A3B6C3D9E2_mC92_15_2c2f_11f_2e2f_2e14f_f:Cs-F-N-O-Sb, expected Cs3SbN3O15F11 to be Cs3Sb2N3(O3F2)3" +mp-1200428,KMgAs(H6O5)2,-5.4600456128,-1.5580697306,0.0119893112,0.0119893112,GGA,Pmn2_1,AB12CDE10_oP50_31_a_6b_a_a_4a3b:As-H-K-Mg-O,50.0,AB12CDE10_oP50_31_a_6b_a_a_4a3b:As-H-K-Mg-O +mp-1224176,KMg2As2H31O23,-5.428444391,-1.4864521264,0.0160208931,0.0160208931,GGA,P1,A2B31CD2E23_aP59_1_2a_31a_a_2a_23a:As-H-K-Mg-O,59.0,A2B31CD2E23_aP59_1_2a_31a_a_2a_23a:As-H-K-Mg-O +mp-697255,KMg2As2H31O23,-5.0513700667,-1.1093778021,0.3930952174,0.3930952174,GGA,P-1,A2B31CD2E23_aP118_2_2i_ab30i_i_ehi_23i:As-H-K-Mg-O,118.0,"Invalid WP multiplicities - A2B31CD2E23_aP118_2_3i_ab58i_i_eh2i_45i:As-H-K-Mg-O, expected KMg3As3H59O45 to be KMg2As2H31O23" +mp-23609,Zn3B7ClO13,-7.428140396,-2.5660377655,0.0009320307,0.0009320307,GGA,R3c,A7BC13D3_hR144_161_a2b_a_a4b_b:B-Cl-O-Zn,48.0,"Invalid WP multiplicities - A7BC13D3_hR144_161_a3b_a_a5b_b:B-Cl-O-Zn, expected Zn3B10ClO16 to be Zn3B7ClO13" +mp-1189091,K3B6ClO10,-7.4963847705,-2.7602362086000003,0.0,-0.0002476474,GGA,R3m,A6BC3D10_hR60_160_2b_a_b_abc:B-Cl-K-O,20.0,A6BC3D10_hR60_160_2b_a_b_abc:B-Cl-K-O +mp-1078186,KZn2BCl2O3,-5.4200909267,-2.2149334387,0.0,-0.035559931,GGA,R32,AB2CD3E2_hR27_155_a_c_b_d_c:B-Cl-K-O-Zn,9.0,AB2CD3E2_hR27_155_a_c_b_d_c:B-Cl-K-O-Zn +mp-1029367,MnCoN2,-8.56781114,-0.3319804057,0.0,-0.0559512925,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Mn-N,4.0,ABC2_hR12_160_a_a_2a:Co-Mn-N +mp-1246831,Mn10CoN9,-8.9135368626,-0.2256906106,0.2174192458,0.2174192458,GGA,P2_1/c,AB10C9_mP80_14_e_10e_9e:Co-Mn-N,80.0,AB10C9_mP80_14_e_10e_9e:Co-Mn-N +mp-1245700,Mn2CoN2,-8.591086482,-0.1700188362,0.212521553,0.212521553,GGA,C2/m,AB2C2_mC10_12_a_i_i:Co-Mn-N,5.0,AB2C2_mC10_12_a_i_i:Co-Mn-N +mp-1246667,Mn2CoN2,-8.478446842,-0.0573791962,0.325161193,0.325161193,GGA,Cmc2_1,AB2C2_oC20_36_a_b_b:Co-Mn-N,10.0,AB2C2_oC20_36_a_b_b:Co-Mn-N +mp-1246571,Mn2CoN2,-8.7500129,-0.3289452542,0.053595135,0.053595135,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Co-Mn-N,10.0,AB2C2_tI10_139_a_e_e:Co-Mn-N +mp-1245346,Mn3Co8N9,-7.9496880742,0.0193640538,0.2418139202,0.2418139202,GGA,P2_1/c,A8B3C9_mP80_14_8e_3e_9e:Co-Mn-N,80.0,A8B3C9_mP80_14_8e_3e_9e:Co-Mn-N +mp-1245992,Mn10CoN8,-9.0294797605,-0.3231413334,0.1063789047,0.1063789047,GGA,Immm,AB10C8_oI38_71_a_efhn_egn:Co-Mn-N,19.0,AB10C8_mC38_12_a_5i_4i:Co-Mn-N +mp-510728,MnCoH18(CN2)6,-6.3588942271,-0.2339117547,0.1046853299,0.1046853299,GGA,R-3,A6BC18DE12_hR114_148_f_a_3f_b_2f:C-Co-H-Mn-N,38.0,A6BC18DE12_hR114_148_f_a_3f_b_2f:C-Co-H-Mn-N +mp-1247289,MnCo5N4,-7.8724486675,-0.0674902708,0.0970485895,0.0970485895,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Co-Mn-N,20.0,A5BC4_oP20_59_ag_b_ef:Co-Mn-N +mp-1210746,MnCo3C,-7.88744654,0.0556802939,0.0794037953,0.0794037953,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Co-Mn,5.0,AB3C_cP5_221_b_c_a:C-Co-Mn +mp-1246097,Mn(CoN)4,-7.86795357,0.014409338,0.1960116261,0.1960116261,GGA,P-1,A4BC4_aP18_2_4i_i_4i:Co-Mn-N,18.0,A4BC4_aP18_2_4i_i_4i:Co-Mn-N +mp-1246172,Mn3(CoN)8,-7.94763175,0.0020812835,0.2284619071,0.2284619071,GGA,C2/m,A8B3C8_mC38_12_4i_ai_4i:Co-Mn-N,19.0,A8B3C8_mC38_12_4i_ai_4i:Co-Mn-N +mp-20441,Mn2Co2C,-8.275669736,0.0781965973,0.1256436001,0.1256436001,GGA,P4/mmm,AB2C2_tP5_123_b_e_ac:C-Co-Mn,5.0,AB2C2_tP5_123_b_e_ac:C-Co-Mn +mp-1245606,Mn(CoN)2,-7.969327165,0.0410009814,0.306585306,0.306585306,GGA,Pmmn,A2BC2_oP10_59_e_a_e:Co-Mn-N,10.0,A2BC2_oP10_59_e_a_e:Co-Mn-N +mp-1245597,Mn(CoN)2,-8.067231742,-0.0569035956,0.208680729,0.208680729,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Co-Mn-N,5.0,A2BC2_hP5_164_d_a_d:Co-Mn-N +mp-1246223,Mn3CoN3,-8.7578354079,-0.2429999155,0.1668647871,0.1668647871,GGA,Cmcm,AB3C3_oC28_63_c_cg_cg:Co-Mn-N,14.0,"Invalid WP multiplicities - AB3C3_oC28_63_c_2c2g_2c2g:Co-Mn-N, expected Mn6CoN6 to be Mn3CoN3" +mp-1245959,Mn(CoN)3,-7.9329734736,-0.0049086947,0.2074706071,0.2074706071,GGA,P2_1/m,A3BC3_mP14_11_3e_e_3e:Co-Mn-N,14.0,"Invalid WP multiplicities - A3BC3_mP14_11_6e_e_6e:Co-Mn-N, expected Mn(CoN)6 to be Mn(CoN)3" +mp-1247508,Mn5CoN4,-8.8586560165,-0.232218621,0.1758256052,0.1758256052,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Co-Mn-N,20.0,AB5C4_oP20_59_a_bg_ef:Co-Mn-N +mp-1247229,Mn2Co9N8,-7.7905100495,0.0511136421,0.2237351787,0.2237351787,GGA,C2/m,A9B2C8_mC38_12_a4i_i_4i:Co-Mn-N,19.0,A9B2C8_mC38_12_a4i_i_4i:Co-Mn-N +mp-1214350,Ca2InP3H4O13,-6.8984715407,-2.5123563913,0.0056175362,0.0056175362,GGA,C2/c,A2B4CD13E3_mC92_15_f_2f_c_e6f_ef:Ca-H-In-O-P,,A2B4CD13E3_mC92_15_f_2f_a_e6f_ef:Ca-H-In-O-P +mp-696272,HgHNO4,-5.4235789271,-0.8779137586,0.0,-0.004375877,GGA,P2_1/c,ABCD4_mP28_14_e_e_e_4e:H-Hg-N-O,28.0,ABCD4_mP28_14_e_e_e_4e:H-Hg-N-O +mp-722980,Hg4HN3O10,-5.1682160936,-0.7746705718,0.0054468553,0.0054468553,GGA,Aea2,AB4C3D10_oC144_41_b_4b_3b_10b:H-Hg-N-O,72.0,AB4C3D10_oC144_41_b_4b_3b_10b:H-Hg-N-O +mp-780171,HgH10N2Cl4O,-4.400420445,-0.886822333,0.00365039,0.00365039,GGA,Pbam,A4B10CD2E_oP72_55_ghi_2g2h3i_e_gh_f:Cl-H-Hg-N-O,72.0,"Invalid WP multiplicities - A4B10CD2E_oP72_55_2g4h3i_6g7h12i_e_2g3h_f:Cl-H-Hg-N-O, expected HgH37N5Cl12O to be HgH10N2Cl4O" +mp-1199625,Hg3HN2O7,-5.0648363431,-0.7876380378000001,0.0040908536,0.0040908536,GGA,P2_1/c,AB3C2D7_mP52_14_e_3e_2e_7e:H-Hg-N-O,52.0,AB3C2D7_mP52_14_e_3e_2e_7e:H-Hg-N-O +mp-1212612,RbInH8(SO6)2,-5.7599207592,-1.6554544912,0.0053103779,0.0053103779,GGA,P2_1,A8BC12DE2_mP96_4_16a_2a_24a_2a_4a:H-In-O-Rb-S,96.0,A8BC12DE2_mP96_4_16a_2a_24a_2a_4a:H-In-O-Rb-S +mp-774456,InH11S2O13,-5.6801692209,-1.5078905837,0.0228437972,0.0228437972,GGA,P2_1/c,A11BC13D2_mP108_14_11e_e_13e_2e:H-In-O-S,108.0,"Invalid WP multiplicities - A11BC13D2_mP108_14_43e_e_51e_3e:H-In-O-S, expected InH43(SO17)3 to be InH11S2O13" +mp-1212178,InH9(SO6)2,-5.7619012401,-1.5569269733,0.003717112,0.003717112,GGA,Pnma,A9BC12D2_oP96_62_c4d_a_2c5d_d:H-In-O-S,96.0,A9BC12D2_oP96_62_c4d_a_2c5d_d:H-In-O-S +mp-560314,In2H10S3O17,-5.8802931313,-1.6323654562,0.0,-0.0073723015,GGA,P-1,A10B2C17D3_aP64_2_10i_abi_17i_3i:H-In-O-S,64.0,"Invalid WP multiplicities - A10B2C17D3_aP64_2_19i_abi_34i_5i:H-In-O-S, expected In2H19S5O34 to be In2H10S3O17" +mp-1198246,K2Mo6H2Cl14O,-5.20540244,-1.0091483362,0.4738476337,0.4738476337,GGA+U,Cc,A14B2C2D6E_mC100_9_14a_2a_2a_6a_a:Cl-H-K-Mo-O,50.0,A14B2C2D6E_mC100_9_14a_2a_2a_6a_a:Cl-H-K-Mo-O +mp-728910,CsSbPO4F3,-6.1790263673,-2.5831365806,0.0700271158,0.0700271158,GGA,P2_1/c,AB3C4DE_mP40_14_e_3e_4e_e_e:Cs-F-O-P-Sb,40.0,AB3C4DE_mP40_14_e_3e_4e_e_e:Cs-F-O-P-Sb +mp-1222409,LiGaBH3O5,-6.2868395523,-2.0570184294,0.0,-0.0089638809,GGA,Cc,ABC3DE5_mC44_9_a_a_3a_a_5a:B-Ga-H-Li-O,22.0,"Invalid WP multiplicities - ABC3DE5_mC44_9_a_a_5a_a_8a:B-Ga-H-Li-O, expected LiGaBH5O8 to be LiGaBH3O5" +mp-1211729,KCr2Fe(HO4)2,-6.5699872486,-1.1953103288,0.5916069359,0.5916069359,GGA+U,C2/m,A2BC2DE8_mC28_12_i_a_i_c_2ij:Cr-Fe-H-K-O,14.0,A2BC2DE8_mC28_12_i_a_i_d_2ij:Cr-Fe-H-K-O +mp-1211835,KCr2FeHO8,-7.0261437442,-1.4990090648,0.2962814445,0.2962814445,GGA+U,P2_1/m,A2BCDE8_mP26_11_2e_e_e_e_4e2f:Cr-Fe-H-K-O,26.0,A2BCDE8_mP26_11_2e_e_e_e_4e2f:Cr-Fe-H-K-O +mp-14390,Na3GaP8O23,-7.281674157,-2.5937903766,0.0,-0.0196381201,GGA,P4_132,AB3C23D8_cP140_213_a_d_cd3e_ce:Ga-Na-O-P,140.0,"Invalid WP multiplicities - AB3C23D8_cP140_213_a_d_c3d5e_c2e:Ga-Na-O-P, expected Na3GaP14O41 to be Na3GaP8O23" +mp-1200729,Na3GaP6(NO4)6,-6.2542520635,-1.0488774244,0.9311501575,0.9311501575,GGA,P-1,AB6C3D24E6_aP40_2_b_3i_ei_12i_3i:Ga-N-Na-O-P,40.0,AB6C3D24E6_aP40_2_b_3i_ei_12i_3i:Ga-N-Na-O-P +mp-561058,Na3Ga(PO4)2,-6.6875041182,-2.5878050749,0.0,-0.0115422331,GGA,P-1,AB3C8D2_aP56_2_2i_6i_16i_4i:Ga-Na-O-P,56.0,"Invalid WP multiplicities - AB3C8D2_aP56_2_4i_11i_30i_7i:Ga-Na-O-P, expected Na11Ga4P7O30 to be Na3Ga(PO4)2" +mp-1106311,GaPNO5,-6.8898887744,-1.7009716481,0.3727032278,0.3727032278,GGA,P2_1/m,ABC5D_mP16_11_a_e_3ef_e:Ga-N-O-P,16.0,ABC5D_mP16_11_a_e_3ef_e:Ga-N-O-P +mp-1181318,GaPNO5,-6.9355272069,-1.7466100806,0.3270647953,0.3270647953,GGA,P2_1/m,ABC5D_mP16_11_a_e_3ef_e:Ga-N-O-P,16.0,ABC5D_mP16_11_a_e_3ef_e:Ga-N-O-P +mp-1199836,NaGa2P2O9,-6.9024710789,-2.4220767394,0.0574112831,0.0574112831,GGA,P2_1/c,A2BC9D2_mP56_14_2e_e_9e_2e:Ga-Na-O-P,56.0,A2BC9D2_mP56_14_2e_e_9e_2e:Ga-Na-O-P +mp-1197103,Ga2P3(NO4)3,-7.1701198205,-1.8368273768,0.2421465428,0.2421465428,GGA,C2/c,A2B3C12D3_mC80_15_f_ef_6f_ef:Ga-N-O-P,40.0,A2B3C12D3_mC80_15_f_ef_6f_ef:Ga-N-O-P +mp-1210133,NaGaP2O7,-7.1390986789,-2.6114580145,0.0037634245,0.0037634245,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ga-Na-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ga-Na-O-P +mp-2715228,Na3Ga2(PO4)3,-6.8440384375,-2.5628414385,0.0265574363,0.0265574363,GGA,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:Ga-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_5a_3a_30a_6a:Ga-Na-O-P, expected Na3Ga5(PO5)6 to be Na3Ga2(PO4)3" +mp-2715310,Na3Ga2(PO4)3,-6.8419510468,-2.5607540477,0.028644827,0.028644827,GGA,Cc,A2B3C12D3_mC240_9_6a_9a_36a_9a:Ga-Na-O-P,120.0,"Invalid WP multiplicities - A2B3C12D3_mC240_9_6a_13a_72a_18a:Ga-Na-O-P, expected Na13Ga6(PO4)18 to be Na3Ga2(PO4)3" +mp-725613,TiPO4F,-4.1311386786,0.8698653694,4.0382415807,4.0210659555,GGA,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-Ti,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-Ti, expected TiPO8F to be TiPO4F" +mp-25436,TiPO4F,-8.1647054157,-3.1637013677,0.0046748436,-0.0125007817,GGA,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-Ti,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-Ti, expected TiPO8F to be TiPO4F" +mp-1541018,TiPO4F,-8.1693802593,-3.1683762113,0.0,-0.0171756252,GGA,C2/c,AB4CD_mC28_15_e_2f_e_c:F-O-P-Ti,14.0,"Invalid WP multiplicities - AB4CD_mC28_15_e_7f_e_a:F-O-P-Ti, expected TiPO14F to be TiPO4F" +mp-1208380,Ti2P2O10F,-7.8394708725,-2.6397405307,0.1777894228,0.1777894228,GGA,P2_1/c,AB10C2D2_mP60_14_e_10e_2e_2e:F-O-P-Ti,60.0,AB10C2D2_mP60_14_e_10e_2e_2e:F-O-P-Ti +mp-1197745,CsTi2P3(O5F2)2,-7.6272726388,-3.1253177934,0.0,-0.024672546,GGA,P2/c,AB4C10D3E2_mP40_13_e_2g_5g_fg_g:Cs-F-O-P-Ti,40.0,AB4C10D3E2_mP40_13_e_2g_5g_fg_g:Cs-F-O-P-Ti +mp-757309,Li6VSb3(PO4)6,-7.0846407698,-2.4815209923,0.0872088273,0.0872088273,GGA+U,P1,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Sb-V,40.0,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Sb-V +mp-1223774,K7RbTi8(PO5)8,-7.9429962253,-3.0509457357,7.71335e-05,7.71335e-05,GGA,P1,A7B40C8DE8_aP64_1_7a_40a_8a_a_8a:K-O-P-Rb-Ti,64.0,A7B40C8DE8_aP64_1_7a_40a_8a_a_8a:K-O-P-Rb-Ti +mp-1223406,KRbTi4(PO4)6,-8.1649147394,-3.0295468173,0.0009468336,0.0009468336,GGA,R-3,AB24C6DE4_hR108_148_a_4f_f_b_2c:K-O-P-Rb-Ti,36.0,"Invalid WP multiplicities - AB24C6DE4_hR108_148_a_8f_f_b_4c:K-O-P-Rb-Ti, expected KRbTi8(PO8)6 to be KRbTi4(PO4)6" +mp-1209169,RbVSeO5,-6.7652005778,-1.9784761808,0.0,-0.0120052381,GGA+U,P2_1,A5BCD_mP32_4_10a_2a_2a_2a:O-Rb-Se-V,32.0,A5BCD_mP32_4_10a_2a_2a_2a:O-Rb-Se-V +mp-623590,RbV2SeO7,-7.335510387,-2.1290486899,0.0,-0.0134867691,GGA+U,Pnma,A7BCD2_oP44_62_3c2d_c_c_2c:O-Rb-Se-V,44.0,"Invalid WP multiplicities - A7BCD2_oP44_62_12c11d_c_c_7c:O-Rb-Se-V, expected RbV7SeO34 to be RbV2SeO7" +mp-16917,RbV3(SeO6)2,-7.2395278328,-1.9848422898,0.0,-0.0131302956,GGA+U,P6_3,A12BC2D3_hP36_173_4c_b_ab_c:O-Rb-Se-V,36.0,"Invalid WP multiplicities - A12BC2D3_hP36_173_4c_b_2ab_c:O-Rb-Se-V, expected RbV3(SeO4)3 to be RbV3(SeO6)2" +mp-1199880,RbVH6SeO9,-5.9029855367,-1.5453796316,0.020101776,0.020101776,GGA+U,P2_1,A6B9CDE_mP36_4_6a_9a_a_a_a:H-O-Rb-Se-V,36.0,A6B9CDE_mP36_4_6a_9a_a_a_a:H-O-Rb-Se-V +mp-1235655,LiCr6(OF)4,-7.8810482213,-2.0637229946,0.2578987639,0.2578987639,GGA+U,P1,A6B4CD4_aP15_1_6a_4a_a_4a:Cr-F-Li-O,15.0,A6B4CD4_aP15_1_6a_4a_a_4a:Cr-F-Li-O +mp-766487,LiCrCO3F2,-7.3146391231,-2.3829316359,0.0901563387,0.0901563387,GGA+U,Pnma,ABC2DE3_oP32_62_c_c_d_c_3c:C-Cr-F-Li-O,32.0,"Invalid WP multiplicities - ABC2DE3_oP32_62_c_c_d_c_7c:C-Cr-F-Li-O, expected LiCrCO7F2 to be LiCrCO3F2" +mp-1213925,CdGePO7,-6.1722571472,-1.6136530372,0.3013845361,0.3013845361,GGA,Cmce,ABC7D_oC80_64_e_c_3f2g_f:Cd-Ge-O-P,40.0,ABC7D_oC80_64_e_c_3f2g_f:Cd-Ge-O-P +mp-1227196,Cd5Ge(PO6)2,-6.0362632761,-2.065045966,0.0199841177,0.0199841177,GGA,P2_12_12_1,A5BC12D2_oP80_19_5a_a_12a_2a:Cd-Ge-O-P,80.0,A5BC12D2_oP80_19_5a_a_12a_2a:Cd-Ge-O-P +mp-695422,CdGePH3O7,-5.8303725292,-1.5408172034,0.3764106348,0.3764106348,GGA,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:Cd-Ge-H-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:Cd-Ge-H-O-P +mp-771051,Fe2Ni3P6WO24,-7.7155001783,-2.2033077672,0.0947124652,0.0947124652,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Ni-O-P-W,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Fe-Ni-O-P-W, expected Fe2Ni3P6WO60 to be Fe2Ni3P6WO24" +mp-850533,Fe3Ni2P6WO24,-7.8943334117,-2.3074219858,0.0217624111,0.0217624111,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-W,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Fe-Ni-O-P-W, expected Fe3Ni2P6WO60 to be Fe3Ni2P6WO24" +mp-530883,Ce6Y26O51,-9.4316362886,-3.937565106,0.0249292053,0.0249292053,GGA,P1,A6B51C26_aP83_1_6a_51a_26a:Ce-O-Y,83.0,A6B51C26_aP83_1_6a_51a_26a:Ce-O-Y +mp-531564,Ce10Y22O53,-9.3882374779,-3.9321462104,0.0245823647,0.0245823647,GGA,P1,A10B53C22_aP85_1_10a_53a_22a:Ce-O-Y,85.0,A10B53C22_aP85_1_10a_53a_22a:Ce-O-Y +mp-760491,Ce4Y2O11,-9.2404020582,-3.8828211953,0.0589525011,0.0589525011,GGA,P-4m2,A4B11C2_tP17_115_2g_abc2e2f_g:Ce-O-Y,17.0,"Invalid WP multiplicities - A4B11C2_tP17_115_3g_abc4e4f_g:Ce-O-Y, expected Ce6Y2O19 to be Ce4Y2O11" +mp-695164,Ba8Ce7YHO24,-8.0103078424,-3.4868163831,0.0167304533,0.0167304533,GGA,P1,A8B7CD24E_aP41_1_8a_7a_a_24a_a:Ba-Ce-H-O-Y,41.0,A8B7CD24E_aP41_1_8a_7a_a_24a_a:Ba-Ce-H-O-Y +mp-758094,Ce6Y2O15,-9.257334435,-3.9211688774,0.0173537584,0.0173537584,GGA,Cc,A6B15C2_mC92_9_6a_15a_2a:Ce-O-Y,46.0,"Invalid WP multiplicities - A6B15C2_mC92_9_11a_24a_3a:Ce-O-Y, expected Ce11Y3O24 to be Ce6Y2O15" +mp-531963,Ce14Y18O55,-9.338504902,-3.9186473465,0.0325805835,0.0325805835,GGA,P1,A14B55C18_aP87_1_14a_55a_18a:Ce-O-Y,87.0,A14B55C18_aP87_1_14a_55a_18a:Ce-O-Y +mp-755046,Ce3Y4O12,-9.3057401532,-3.8833498135,0.0682626188,0.0682626188,GGA,Cm,A3B12C4_mC38_8_3a_12a_4a:Ce-O-Y,19.0,A3B12C4_mC38_8_3a_12a_4a:Ce-O-Y +mp-677131,Ce9YO20,-9.1419122923,-3.8486440346,0.0187097543,0.0187097543,GGA,P-1,A9B20C_aP30_2_a4i_10i_c:Ce-O-Y,30.0,"Invalid WP multiplicities - A9B20C_aP30_2_a7i_19i_c:Ce-O-Y, expected Ce15YO38 to be Ce9YO20" +mp-753355,Ce5Y2O13,-9.241725917,-3.8964588546,0.0434454819,0.0434454819,GGA,R3m,A5B13C2_hR60_160_5a_13a_2a:Ce-O-Y,20.0,A5B13C2_hR60_160_5a_13a_2a:Ce-O-Y +mp-1228532,Ba5Ce4YO15,-8.0574235444,-3.4976622203,0.0177238149,0.0177238149,GGA,P-1,A5B4C15D_aP50_2_5i_4i_15i_bc:Ba-Ce-O-Y,50.0,"Invalid WP multiplicities - A5B4C15D_aP50_2_10i_5i_30i_bc:Ba-Ce-O-Y, expected Ba10Ce5YO30 to be Ba5Ce4YO15" +mp-686003,Ce4Y6O17,-9.2976857522,-3.8671342192,0.085717165,0.085717165,GGA,R3m,A4B17C6_hR81_160_4a_17a_6a:Ce-O-Y,27.0,A4B17C6_hR81_160_4a_17a_6a:Ce-O-Y +mp-773102,Ce4YO9,-9.2500915236,-3.9130182282,0.0310040132,0.0310040132,GGA,Imm2,A4B9C_oI28_44_2c_a4c_b:Ce-O-Y,14.0,"Invalid WP multiplicities - A4B9C_oI28_44_3c_a7c_b:Ce-O-Y, expected Ce6YO15 to be Ce4YO9" +mp-36699,Ce2Y2O7,-9.3111095377,-3.9087512181,0.0398201503,0.0398201503,GGA,P1,A2B7C2_aP44_1_8a_28a_8a:Ce-O-Y,44.0,A2B7C2_aP44_1_8a_28a_8a:Ce-O-Y +mp-38950,Ce2Y2O7,-9.2829315409,-3.8805732213,0.0679981472,0.0679981472,GGA,Pmma,A2B7C2_oP22_51_af_3e2j_cf:Ce-O-Y,22.0,"Invalid WP multiplicities - A2B7C2_oP22_51_af_6e4j_2c2f:Ce-O-Y, expected CeY2O7 to be Ce2Y2O7" +mp-1178478,Ce2Y2O7,-9.2608186382,-3.8584603186,0.0901110499,0.0901110499,GGA,P-4m2,A2B7C2_tP11_115_g_abcef_g:Ce-O-Y,11.0,"Invalid WP multiplicities - A2B7C2_tP11_115_g_abc2e2f_g:Ce-O-Y, expected Ce2Y2O11 to be Ce2Y2O7" +mp-541424,Na3V(SO4)3,-6.6194421913,-2.1551739763,0.0130237251,0.0130237251,GGA+U,R-3,A3B12C3D_hR114_148_f_4f_f_ab:Na-O-S-V,38.0,A3B12C3D_hR114_148_f_4f_f_ab:Na-O-S-V +mp-699658,Na4VS3O13,-6.5169384832,-2.1793046694,0.0,-0.0005087629,GGA+U,P2_1/c,A4B13C3D_mP168_14_8e_26e_6e_2e:Na-O-S-V,168.0,"Invalid WP multiplicities - A4B13C3D_mP168_14_30e_101e_18e_4e:Na-O-S-V, expected Na30V4S18O101 to be Na4VS3O13" +mp-559500,Na3VSO3,-6.0114951163,-2.0079953724,0.0366109666,0.0366109666,GGA+U,R3c,A3B3CD_hR48_161_b_b_a_a:Na-O-S-V,16.0,A3B3CD_hR48_161_b_b_a_a:Na-O-S-V +mp-1221103,NaV2(SO)4,-5.4250458464,-0.3502375058,1.4488473952,1.4488473952,GGA+U,P2/m,AB4C4D2_mP11_10_c_mn_mn_bd:Na-O-S-V,11.0,"Invalid WP multiplicities - AB4C4D2_mP11_10_b_2m2n_2m2n_ce:Na-O-S-V, expected NaV2(SO)8 to be NaV2(SO)4" +mp-1180153,NaV3(SO7)2,-7.382727686,-2.0776884263,0.0414887192,0.0414887192,GGA+U,R32,AB14C2D3_hR60_155_a_c2f_c_e:Na-O-S-V,20.0,AB14C2D3_hR60_155_a_c2f_c_e:Na-O-S-V +mp-2240862,Na6MgV2(SO3)2,-5.7638612576,-1.9017273781,0.1891108163,0.1891108163,GGA+U,P1,AB6C6D2E2_aP17_1_a_6a_6a_2a_2a:Mg-Na-O-S-V,17.0,AB6C6D2E2_aP17_1_a_6a_6a_2a_2a:Mg-Na-O-S-V +mp-2241547,Na6MgV2(SO3)2,-5.6791228635,-1.816988984,0.2738492104,0.2738492104,GGA+U,R3,AB6C6D2E2_hR51_146_a_2b_2b_2a_2a:Mg-Na-O-S-V,17.0,"Invalid WP multiplicities - AB6C6D2E2_hR51_146_a_4b_2b_2a_2a:Mg-Na-O-S-V, expected Na12MgV2(SO3)2 to be Na6MgV2(SO3)2" +mp-19422,Na3VS3O,-5.2334757613,-1.4325357285,0.1104233322,0.1104233322,GGA+U,Cmc2_1,A3BC3D_oC32_36_ab_a_ab_a:Na-O-S-V,16.0,"Invalid WP multiplicities - A3BC3D_oC32_36_2a2b_a_2a2b_a:Na-O-S-V, expected Na6VS6O to be Na3VS3O" +mp-560942,Na3VS3O,-5.2332804216,-1.4323403888,0.1106186719,0.1106186719,GGA+U,Pnma,A3BC3D_oP32_62_cd_c_cd_c:Na-O-S-V,32.0,"Invalid WP multiplicities - A3BC3D_oP32_62_4c5d_c_4c3d_c:Na-O-S-V, expected Na14VS10O to be Na3VS3O" +mp-559831,Na3V(SO)2,-5.6328186337,-1.7305987454,0.0631839544,0.0631839544,GGA+U,Pbca,A3B2C2D_oP64_61_3c_2c_2c_c:Na-O-S-V,64.0,"Invalid WP multiplicities - A3B2C2D_oP64_61_18c_9c_9c_c:Na-O-S-V, expected Na18V(SO)9 to be Na3V(SO)2" +mp-2229396,Na6MgV2(S3O)2,-5.0903183165,-1.4188288709,0.1928575725,0.1928575725,GGA+U,P1,AB6C2D6E2_aP17_1_a_6a_2a_6a_2a:Mg-Na-O-S-V,17.0,AB6C2D6E2_aP17_1_a_6a_2a_6a_2a:Mg-Na-O-S-V +mp-2229306,Na6MgV2(S3O)2,-5.0847317088,-1.4132422633,0.1984441801,0.1984441801,GGA+U,Cm,AB6C2D6E2_mC34_8_a_2a2b_2a_2a2b_2a:Mg-Na-O-S-V,17.0,"Invalid WP multiplicities - AB6C2D6E2_mC34_8_a_2a3b_2a_2a3b_2a:Mg-Na-O-S-V, expected Na8MgV2(S4O)2 to be Na6MgV2(S3O)2" +mp-2229140,Na6MgV2(S3O)2,-5.1307153476,-1.4592259021,0.1524605413,0.1524605413,GGA+U,Cm,AB6C2D6E2_mC34_8_a_2a2b_2a_2a2b_2a:Mg-Na-O-S-V,17.0,"Invalid WP multiplicities - AB6C2D6E2_mC34_8_a_2a3b_2a_2a3b_2a:Mg-Na-O-S-V, expected Na8MgV2(S4O)2 to be Na6MgV2(S3O)2" +mp-555266,Na2VS2O9,-6.7711872232,-2.1624690238,0.0002138011,0.0002138011,GGA+U,P2_12_12_1,A2B9C2D_oP56_19_2a_9a_2a_a:Na-O-S-V,56.0,"Invalid WP multiplicities - A2B9C2D_oP56_19_5a_34a_4a_a:Na-O-S-V, expected Na5V(S2O17)2 to be Na2VS2O9" +mp-554124,NaV(SO4)2,-6.9973345885,-2.1429311896,0.0,-0.0182603255,GGA+U,C2/m,AB8C2D_mC24_12_a_2ij_i_c:Na-O-S-V,48.0,AB8C2D_mC24_12_a_2ij_i_d:Na-O-S-V +mp-1210593,Na2V(SO6)2,-6.1988721947,-1.5305121403,0.27474995,0.27474995,GGA+U,P2_1/c,A2B12C2D_mP34_14_e_6e_e_a:Na-O-S-V,34.0,A2B12C2D_mP34_14_e_6e_e_a:Na-O-S-V +mp-2228639,MgV2(SO5)2,-7.330521104,-2.1633291682,0.1525032222,0.1525032222,GGA+U,P-1,AB10C2D2_aP15_2_a_5i_i_i:Mg-O-S-V,15.0,"Invalid WP multiplicities - AB10C2D2_aP15_2_a_8i_i_i:Mg-O-S-V, expected MgV2(SO8)2 to be MgV2(SO5)2" +mp-2228692,MgV2(SO5)2,-7.078596878,-1.9114049422,0.4044274482,0.4044274482,GGA+U,P-4,AB10C2D2_tP15_81_b_g2h_ac_g:Mg-O-S-V,15.0,"Invalid WP multiplicities - AB10C2D2_tP15_81_b_g7h_ac_g:Mg-O-S-V, expected MgV2(SO15)2 to be MgV2(SO5)2" +mp-2226491,MgV2Pb(OF4)2,-6.4410850221,-2.9649458491000003,0.0672252141,0.0672252141,GGA+U,P1,A8BC2DE2_aP14_1_8a_a_2a_a_2a:F-Mg-O-Pb-V,14.0,A8BC2DE2_aP14_1_8a_a_2a_a_2a:F-Mg-O-Pb-V +mp-2226519,MgV2Pb(OF4)2,-6.4519189929,-2.9757798198,0.0563912434,0.0563912434,GGA+U,P-1,A8BC2DE2_aP14_2_4i_a_i_b_i:F-Mg-O-Pb-V,14.0,A8BC2DE2_aP14_2_4i_a_i_b_i:F-Mg-O-Pb-V +mp-1176486,Mn2V3Sn(PO4)6,-8.1580941961,-2.5807146195,0.0180599765,0.0180599765,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Mn-O-P-Sn-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Mn-O-P-Sn-V, expected Mn2V3Sn(PO10)6 to be Mn2V3Sn(PO4)6" +mp-861181,Mn3VSn2(PO4)6,-7.8728847642,-2.4342892151,0.0973872543,0.0973872543,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Mn-O-P-Sn-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Mn-O-P-Sn-V, expected Mn3VSn2(PO10)6 to be Mn3VSn2(PO4)6" +mp-1190041,Nb5Si3P,-8.62927291,-0.607519377,0.0984711467,0.0984711467,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Nb-P-Si,18.0,A5BC3_hP18_193_dg_b_g:Nb-P-Si +mp-14873,K4Nb8Si(P2O17)2,-8.4457332414,-2.9453806855,0.0,-0.0055670098,GGA,P-4m2,A4B8C34D4E_tP51_115_abg_ij_gjk3l_h_d:K-Nb-O-P-Si,51.0,"Invalid WP multiplicities - A4B8C34D4E_tP51_115_abg_ij_gjk4l_h_d:K-Nb-O-P-Si, expected K4Nb8Si(P2O21)2 to be K4Nb8Si(P2O17)2" +mp-2715728,Nb2Si(PO6)2,-8.6103238348,-2.9741592667,0.0161353537,0.0161353537,GGA,Cc,A2B12C2D_mC204_9_6a_36a_6a_3a:Nb-O-P-Si,102.0,"Invalid WP multiplicities - A2B12C2D_mC204_9_6a_60a_9a_3a:Nb-O-P-Si, expected Nb2SiP3O20 to be Nb2Si(PO6)2" +mp-780701,Ti3VCo2(PO4)6,-8.2340746042,-2.7288701092,0.0547439079,0.0547439079,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Co-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Co-O-P-Ti-V, expected Ti3VCo2(PO10)6 to be Ti3VCo2(PO4)6" +mp-774831,Ti3V2Co(PO4)6,-8.3563988894,-2.7963169424,0.0433226861,0.0433226861,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Co-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Co-O-P-Ti-V, expected Ti3V2Co(PO10)6 to be Ti3V2Co(PO4)6" +mp-698318,CuSi2H18C9O2,-5.5586233822,-0.2783021823,0.2196720022,0.2196720022,GGA,C2/c,A9BC18D2E2_mC256_15_9f_f_18f_2f_2f:C-Cu-H-O-Si,128.0,A9BC18D2E2_mC256_15_9f_f_18f_2f_2f:C-Cu-H-O-Si +mp-541863,ZnHgC4(SN)4,-6.4384379493,-0.126304727,0.1419630036,0.1419630036,GGA,I-4,A4BC4D4E_tI28_82_g_a_g_g_c:C-Hg-N-S-Zn,14.0,A4BC4D4E_tI28_82_g_a_g_g_c:C-Hg-N-S-Zn +mp-752544,Li4MnV(WO6)2,-7.830335896,-2.2724290048,0.0515918116,0.0515918116,GGA+U,P1,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-V-W,40.0,A4BC12DE2_aP20_1_4a_a_12a_a_2a:Li-Mn-O-V-W +mp-753065,Li4Mn3V3(WO8)2,-8.2878595575,-2.3079761506,0.0344580105,0.0344580105,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Mn-O-V-W,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Mn-O-V-W, expected Li4Mn3V3(WO10)2 to be Li4Mn3V3(WO8)2" +mp-755727,Li4MnV2WO12,-7.5936537605,-2.2294580773,0.090976449,0.090976449,GGA+U,P1,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Mn-O-V-W,40.0,A4BC12D2E_aP20_1_4a_a_12a_2a_a:Li-Mn-O-V-W +mp-558332,K5Au(IO)2,-3.632070427,-1.4654717412,0.0,-0.0940823416,GGA,Pbam,AB2C5D2_oP20_55_a_h_cgh_g:Au-I-K-O,20.0,"Invalid WP multiplicities - AB2C5D2_oP20_55_a_h_2c2g2h_g:Au-I-K-O, expected K10Au(IO)2 to be K5Au(IO)2" +mp-557441,KAu(IO3)4,-4.7983619961,-0.9295836138,0.0,-0.003838477,GGA,P1,AB4CD12_aP18_1_a_4a_a_12a:Au-I-K-O,18.0,AB4CD12_aP18_1_a_4a_a_12a:Au-I-K-O +mp-1105366,KAu(IO3)4,-4.7948209094,-0.9260425271,0.0035410867,-0.0002973903,GGA,C2,AB4CD12_mC36_5_a_2c_b_6c:Au-I-K-O,18.0,AB4CD12_mC36_5_a_2c_b_6c:Au-I-K-O +mp-1195201,K2Au(IO3)5,-4.8320779402,-1.0467804484,0.0,-0.0191170376,GGA,Cmc2_1,AB5C2D15_oC92_36_a_3ab_b_3a6b:Au-I-K-O,46.0,AB5C2D15_oC92_36_a_3ab_b_3a6b:Au-I-K-O +mp-555392,K6NaAu2IO8,-4.5586363381,-1.4708830594,0.0,-0.127696043,GGA,P2/c,A2BC6DE8_mP36_13_ae_b_ef2g_f_4g:Au-I-K-Na-O,36.0,"Invalid WP multiplicities - A2BC6DE8_mP36_13_ae_b_2e2f7g_f_12g:Au-I-K-Na-O, expected K18NaAu2IO24 to be K6NaAu2IO8" +mp-559067,KNa2AuO2,-4.1437967042,-1.3233452114,0.0,-0.0739924614,GGA,Pnnm,ABC2D2_oP12_58_a_c_g_g:Au-K-Na-O,12.0,ABC2D2_oP12_58_a_c_g_g:Au-K-Na-O +mp-1188818,NaAu(IO3)4,-4.7837380178,-0.9031748384,0.0051545228,-0.0017604713,GGA,P1,AB4CD12_aP18_1_a_4a_a_12a:Au-I-Na-O,18.0,AB4CD12_aP18_1_a_4a_a_12a:Au-I-Na-O +mp-1202202,NaAu(IO3)4,-4.7888925406,-0.9083293612,0.0,-0.0069149941,GGA,P2_1/c,AB4CD12_mP36_14_a_2e_d_6e:Au-I-Na-O,36.0,AB4CD12_mP36_14_a_2e_d_6e:Au-I-Na-O +mp-1195781,MnSb2H8(SN)4,-5.3397460368,-0.3685036527,0.1092582862,0.1092582862,GGA,C2/c,A8BC4D4E2_mC76_15_4f_a_2f_2f_f:H-Mn-N-S-Sb,38.0,A8BC4D4E2_mC76_15_4f_c_2f_2f_f:H-Mn-N-S-Sb +mp-1200967,Mn2Sb2H8S5N4,-5.5418824636,-0.4108314894,0.1077367536,0.1077367536,GGA,P-1,A8B2C4D5E2_aP42_2_8i_2i_4i_5i_2i:H-Mn-N-S-Sb,42.0,A8B2C4D5E2_aP42_2_8i_2i_4i_5i_2i:H-Mn-N-S-Sb +mp-707209,CsH24Rh(SO10)2,-5.5171754926,-1.4152627993,0.0032482499,0.0032482499,GGA,Pa-3,AB24C20DE2_cP192_205_a_4d_c3d_b_c:Cs-H-O-Rh-S,192.0,AB24C20DE2_cP192_205_a_4d_c3d_b_c:Cs-H-O-Rh-S +mp-1201525,Na2MoH2O3F4,-5.8621589946,-2.298647762,0.0,-0.0070807086,GGA+U,P2_12_12_1,A4B2CD2E3_oP48_19_4a_2a_a_2a_3a:F-H-Mo-Na-O,48.0,A4B2CD2E3_oP48_19_4a_2a_a_2a_3a:F-H-Mo-Na-O +mp-568282,TlH12C4Br4N5,-5.3737273678,-0.4550886908,0.1361891699,0.1361891699,GGA,P2_1/c,A4B4C12D5E_mP104_14_4e_4e_12e_5e_e:Br-C-H-N-Tl,104.0,"Invalid WP multiplicities - A4B4C12D5E_mP104_14_13e_16e_42e_18e_e:Br-C-H-N-Tl, expected TlH42C16Br13N18 to be TlH12C4Br4N5" +mp-1191764,CrN4Cl(O2F)2,-4.8400045675,0.8647684833,2.0614203776,2.0614203776,GGA+U,I4_1md,ABC2D4E4_tI48_109_a_a_b_2b_2b:Cl-Cr-F-N-O,24.0,ABC2D4E4_tI48_109_a_a_b_2b_2b:Cl-Cr-F-N-O +mp-1199610,CoS2N5O9,-5.7272542993,0.2482686746,1.3558267698,1.3558267698,GGA+U,P2_12_12_1,AB5C9D2_oP68_19_a_5a_9a_2a:Co-N-O-S,68.0,AB5C9D2_oP68_19_a_5a_9a_2a:Co-N-O-S +mp-1213900,Co2S3(NO6)2,-6.2641289492,-0.8610110768,0.6258975642,0.6258975642,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Co-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Co-N-O-S +mp-1202862,CoS3N3O2,-6.1882612097,-0.1415356994,0.5970124342,0.5970124342,GGA+U,P2_1/c,AB3C2D3_mP36_14_e_3e_2e_3e:Co-N-O-S,36.0,AB3C2D3_mP36_14_e_3e_2e_3e:Co-N-O-S +mp-1214687,CoS2(NO7)2,-6.0699657237,-0.7379736534,0.3896014704,0.3896014704,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S +mp-1237289,CoS2(NO7)2,-5.841731805,-0.5097397347,0.6178353891,0.6178353891,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S +mp-1237291,CoS2(NO7)2,-5.8604811566,-0.5284890862,0.5990860375,0.5990860375,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Co-N-O-S +mp-1198186,NpCo(N3O4)2,-7.7304368572,-0.8774008124,0.3621372418,0.3621372418,GGA+U,P2_1/c,AB6CD8_mP32_14_a_3e_b_4e:Co-N-Np-O,32.0,AB6CD8_mP32_14_a_3e_d_4e:Co-N-Np-O +mp-1182644,NpCoS2(NO2)6,-6.5397486986,-0.2802836398,1.1718799615,1.1718799615,GGA+U,Pnma,AB6CD12E2_oP88_62_c_2c2d_c_a7c2d_2c:Co-N-Np-O-S,88.0,AB6CD12E2_oP88_62_c_2c2d_c_a7c2d_2c:Co-N-Np-O-S +mp-14058,KMg(PO3)3,-7.3410054829,-2.8073779887,0.0,-0.0130387848,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:K-Mg-O-P,28.0,"Invalid WP multiplicities - ABC9D3_hP28_188_a_c_k2l_k:K-Mg-O-P, expected KMg(PO5)3 to be KMg(PO3)3" +mp-1211428,KMg2(PO4)2,-6.9993569188,-2.7908127842,0.0458195573,0.0458195573,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:K-Mg-O-P,26.0,AB2C8D2_mC52_15_e_f_4f_f:K-Mg-O-P +mp-557844,KMg4(PO4)3,-7.165759632,-3.0101750719,0.0040440771,0.0040440771,GGA,Pnnm,AB4C12D3_oP80_58_g_2gh_6g3h_3g:K-Mg-O-P,80.0,"Invalid WP multiplicities - AB4C12D3_oP80_58_g_6g5h_21g19h_9g:K-Mg-O-P, expected KMg16P9O59 to be KMg4(PO4)3" +mp-9468,KCa9Mg(PO4)7,-7.5662315313,-3.2801124144,0.0,-0.0092729087,GGA,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-K-Mg-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_3b_a_a_a12b_a9b:Ca-K-Mg-O-P, expected KCa9MgP28O37 to be KCa9Mg(PO4)7" +mp-1019806,KMg6P7O24,-7.3556178851,-2.9523093098,0.0,-0.0044884404,GGA,P2_1/m,AB6C24D7_mP76_11_e_3f_2e11f_e3f:K-Mg-O-P,76.0,AB6C24D7_mP76_11_e_3f_2e11f_e3f:K-Mg-O-P +mp-558795,KMgPO4,-6.9048105918000005,-2.917562542,0.0,-0.0414113907,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:K-Mg-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_5e_6e_27e_4e:K-Mg-O-P, expected K5Mg6P4O27 to be KMgPO4" +mp-1189282,KMgPO5,-6.4187927194,-2.3116145869,0.2412526373,0.2412526373,GGA,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:K-Mg-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:K-Mg-O-P +mp-738618,NdH32C8N4Cl7,-5.0818008463,-0.5923692861000001,0.0688751025,0.0688751025,GGA,P2_12_12,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Nd,104.0,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Nd +mp-23131,Sr2BN2Cl,-6.47286355,-1.7095460187,0.0,-0.0434095444,GGA,Pnma,ABC2D2_oP24_62_c_c_2c_2c:B-Cl-N-Sr,24.0,"Invalid WP multiplicities - ABC2D2_oP24_62_c_c_3c_2c:B-Cl-N-Sr, expected Sr2BN3Cl to be Sr2BN2Cl" +mp-616577,Sr3BCNCl2,-5.6453503203,-1.5190870868,0.0,-0.0249454251,GGA,Pnma,ABC2DE3_oP32_62_c_c_2c_c_3c:B-C-Cl-N-Sr,32.0,"Invalid WP multiplicities - ABC2DE3_oP32_62_c_c_6c_c_6c:B-C-Cl-N-Sr, expected Sr6BCNCl6 to be Sr3BCNCl2" +mp-567655,Sr2C(NCl)2,-6.5705483171,-1.859446093,0.0,-0.0257446629,GGA,C2/m,AB2C2D2_mC14_12_a_i_i_i:C-Cl-N-Sr,7.0,AB2C2D2_mC14_12_a_i_i_i:C-Cl-N-Sr +mp-1105374,RbYMnWO6,-8.5673405145,-2.642612217,0.0203277684,0.0203277684,GGA+U,P2_1,AB6CDE_mP20_4_a_6a_a_a_a:Mn-O-Rb-W-Y,20.0,AB6CDE_mP20_4_a_6a_a_a_a:Mn-O-Rb-W-Y +mp-1209133,RbY(WO4)2,-8.7420694108,-2.6640047995,0.0,-0.0218583826,GGA+U,C2/c,A8BC2D_mC48_15_4f_e_f_e:O-Rb-W-Y,24.0,A8BC2D_mC48_15_4f_e_f_e:O-Rb-W-Y +mp-666026,BaBe2(BO3)2,-7.8583937073,-3.0914194819,0.0298351127,0.0083562555,GGA,C2,A2BC2D6_mC44_5_2c_ab_2c_6c:B-Ba-Be-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:B-Ba-Be-O +mp-555070,BaBe2(BO3)2,-7.88822882,-3.1212545946,0.0,-0.0214788573,GGA,Fddd,A2BC2D6_oF88_70_e_a_f_eh:B-Ba-Be-O,22.0,"Invalid WP multiplicities - A2BC2D6_oF88_70_e_a_f_3e3h:B-Ba-Be-O, expected BaBe2(BO9)2 to be BaBe2(BO3)2" +mp-1214878,BaBe2(BO2)2,-6.9553511978,-2.2283135248,0.4733056211,0.4733056211,GGA,Fddd,A2BC2D4_oF144_70_h_c_h_2h:B-Ba-Be-O,36.0,A2BC2D4_oF144_70_h_c_h_2h:B-Ba-Be-O +mp-1228181,Ba3Be2B5HO13,-7.7410683458,-2.9772188169,0.030526318,0.030526318,GGA,Cm,A5B3C2DE13_mC48_8_3ab_ab_b_a_3a5b:B-Ba-Be-H-O,24.0,"Invalid WP multiplicities - A5B3C2DE13_mC48_8_3ab_a2b_b_a_3a9b:B-Ba-Be-H-O, expected Ba5Be2B5HO21 to be Ba3Be2B5HO13" +mp-1520566,KBaBiWO6,-7.2826249178,-2.3318123663,0.0240529376,0.0240529376,GGA+U,Pnnn,ABCD6E_oP40_48_ab_e_cd_3m_f:Ba-Bi-K-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_e_2c2d_6m_f:Ba-Bi-K-O-W, expected K2BaBiWO12 to be KBaBiWO6" +mp-1520614,KBaBiWO6,-7.286674441,-2.3358618895,0.0200034144,0.0200034144,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ba-Bi-K-O-W +mp-1211332,KZn(PO3)3,-7.0724333107,-2.563129848,0.0,-0.0012887527,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:K-O-P-Zn,28.0,AB9C3D_hP28_188_a_kl_k_c:K-O-P-Zn +mp-1181674,K2Zn4P4O21,-5.7989553223,-1.5152957966,0.4959052841,0.4959052841,GGA,P-1,A2B21C4D4_aP62_2_2i_21i_4i_4i:K-O-P-Zn,62.0,A2B21C4D4_aP62_2_2i_21i_4i_4i:K-O-P-Zn +mp-14536,KNa2Zn3(PO4)3,-6.456117315,-2.4973148189,0.00303888,0.00303888,GGA,P6_3,AB2C12D3E3_hP168_173_ac_2b2c_16c_4c_4c:K-Na-O-P-Zn,168.0,AB2C12D3E3_hP168_173_ac_2b2c_16c_4c_4c:K-Na-O-P-Zn +mp-1203529,K4Zn(P3O11)2,-6.5011829712,-2.0463858171,0.2642115976,0.2642115976,GGA,C2/m,A4B22C6D_mC66_12_hi_3i4j_ij_a:K-O-P-Zn,33.0,A4B22C6D_mC66_12_hi_3i4j_ij_a:K-O-P-Zn +mp-560668,K2Zn3(P2O7)2,-6.7478114776,-2.5344688381,0.0,-0.0139605201,GGA,P2_12_12_1,A2B14C4D3_oP92_19_2a_14a_4a_3a:K-O-P-Zn,92.0,"Invalid WP multiplicities - A2B14C4D3_oP92_19_5a_52a_12a_7a:K-O-P-Zn, expected K5Zn7(P3O13)4 to be K2Zn3(P2O7)2" +mp-1087504,KZn4P3,-3.1037815163,-0.3051214029,0.0,-0.0156672716,GGA,R-3m,AB3C4_hR24_166_a_bc_2c:K-P-Zn,8.0,AB3C4_hR24_166_a_bc_2c:K-P-Zn +mp-7437,KZnP,-3.0525025617,-0.4580208738,0.0,-0.110209287,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:K-P-Zn,6.0,ABC_hP6_194_a_c_d:K-P-Zn +mp-18591,KZnPO4,-6.4496740482,-2.5110740613,0.0068458503,-0.0267418616,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:K-O-P-Zn,28.0,AB4CD_oP28_33_a_4a_a_a:K-O-P-Zn +mp-653973,KZnPO4,-6.4565198985,-2.5179199116,0.0,-0.0335877119,GGA,P6_3,AB4CD_hP168_173_a2b3c_16c_4c_4c:K-O-P-Zn,168.0,"Invalid WP multiplicities - AB4CD_hP168_173_2a4b15c_93c_19c_19c:K-O-P-Zn, expected K17Zn19P19O93 to be KZnPO4" +mp-773901,KZnP2O7,-6.7059546205,-2.3583574796,0.0878220678,0.0878220678,GGA,Pmc2_1,AB7C2D_oP44_26_ab_ab6c_2c_c:K-O-P-Zn,44.0,"Invalid WP multiplicities - AB7C2D_oP44_26_ab_ab12c_3c_c:K-O-P-Zn, expected KZnP3O13 to be KZnP2O7" +mp-1194488,KZn2(PO4)2,-6.5000814992,-2.3439275861,0.0540429332,0.0540429332,GGA,P-1,AB8C2D2_aP26_2_i_8i_2i_2i:K-O-P-Zn,26.0,AB8C2D2_aP26_2_i_8i_2i_2i:K-O-P-Zn +mp-11719,K4ZnP2,-2.7577352843,-0.3966003684,0.0,-0.075744209,GGA,R-3m,A4B2C_hR21_166_2c_c_a:K-P-Zn,7.0,A4B2C_hR21_166_2c_c_a:K-P-Zn +mp-16695,K2ZnP2O7,-6.677628981,-2.5997983564,0.0,-0.0097368298,GGA,P4_2/mnm,A2B7C2D_tP48_136_fg_ejk_j_d:K-O-P-Zn,48.0,"Invalid WP multiplicities - A2B7C2D_tP48_136_fg_e2jk_j_d:K-O-P-Zn, expected K2ZnP2O9 to be K2ZnP2O7" +mp-554157,KNaZnP2O7,-6.6820322902,-2.58652447,0.0,-0.0087931456,GGA,P2_1/c,ABC7D2E_mP48_14_e_e_7e_2e_e:K-Na-O-P-Zn,48.0,"Invalid WP multiplicities - ABC7D2E_mP48_14_e_e_24e_4e_e:K-Na-O-P-Zn, expected KNaZn(PO6)4 to be KNaZnP2O7" +mp-1019791,K2Zn(PO3)4,-7.0432011089,-2.5961476318,0.0006479897,0.0006479897,GGA,Cc,A2B12C4D_mC76_9_2a_12a_4a_a:K-O-P-Zn,38.0,A2B12C4D_mC76_9_2a_12a_4a_a:K-O-P-Zn +mp-560419,KZn4(PO4)3,-6.5262606959,-2.4387834238,0.0,-0.0142488034,GGA,Pccn,AB12C3D4_oP80_56_c_6e_de_2e:K-O-P-Zn,80.0,"Invalid WP multiplicities - AB12C3D4_oP80_56_c_39e_3d3e_8e:K-O-P-Zn, expected KZn16(P3O26)3 to be KZn4(PO4)3" +mp-768556,Na3BSbPO7,-6.6263518185,-2.409729328,0.0461425653,0.0461425653,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-P-Sb,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:B-Na-O-P-Sb, expected Na4BSbPO13 to be Na3BSbPO7" +mp-780399,Na6B4Sb2PO16,-6.7956755807,-2.4001223665,0.0811513725,0.0811513725,GGA,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Na-O-P-Sb,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:B-Na-O-P-Sb, expected Na6B4Sb2PO108 to be Na6B4Sb2PO16" +mp-1201517,Na2ErPWO8,-7.8228037212,-2.8106720424,0.0069729954,0.0069729954,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Er-Na-O-P-W,52.0,AB2C8DE_oI104_73_c_f_4f_c_d:Er-Na-O-P-W +mp-1196469,Rb2MnH12(SO7)2,-5.8260556003,-1.6530769659,0.0055943356,0.0055943356,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-S,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mn-O-Rb-S +mp-1197950,Rb3Mo2HCO13,-6.3418125914,-1.2637502303,0.4665729186,0.4665729186,GGA+U,Pca2_1,ABC2D13E3_oP80_29_a_a_2a_13a_3a:C-H-Mo-O-Rb,80.0,ABC2D13E3_oP80_29_a_a_2a_13a_3a:C-H-Mo-O-Rb +mp-554482,Rb2Mo2H4C4O15,-7.2214322646,-1.727422443,0.0785589901,0.0785589901,GGA+U,P2_1/c,A4B4C2D15E2_mP54_14_2e_2e_e_a7e_e:C-H-Mo-O-Rb,54.0,"Invalid WP multiplicities - A4B4C2D15E2_mP54_14_7e_3e_e_2a27e_e:C-H-Mo-O-Rb, expected RbMoH3(CO4)7 to be Rb2Mo2H4C4O15" +mp-729543,ZrMnH10O5F6,-5.9159443037,-2.0968445762,0.0135686177,0.0135686177,GGA+U,C2,A6B10CD5E_mC92_5_6c_10c_c_5c_2a:F-H-Mn-O-Zr,46.0,A6B10CD5E_mC92_5_6c_10c_c_5c_2a:F-H-Mn-O-Zr +mp-1194670,ZrMnO5F6,-5.9642618092,-1.8171823259,0.437332532,0.437332532,GGA+U,C2/m,A6BC5D_mC52_12_2i2j_i_3ij_g:F-Mn-O-Zr,26.0,A6BC5D_mC52_12_2i2j_i_3ij_g:F-Mn-O-Zr +mp-1205027,ZrMn2H12(O3F4)2,-5.9751125364,-2.0938570963,0.0196138697,0.0196138697,GGA+U,C2/c,A8B12C2D6E_mC116_15_4f_6f_f_3f_e:F-H-Mn-O-Zr,58.0,A8B12C2D6E_mC116_15_4f_6f_f_3f_e:F-H-Mn-O-Zr +mp-559020,KBi(PO3)4,-7.3301103162,-2.5543123919,0.0,-0.0063591919,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Bi-K-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_45e_13e:Bi-K-O-P, expected KBiP13O45 to be KBi(PO3)4" +mp-560420,K3Bi2(PO4)3,-6.843241259,-2.5126239012,0.0,-0.0274893161,GGA,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:Bi-K-O-P,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a4e_21f_e2f:Bi-K-O-P, expected K6Bi2P5O42 to be K3Bi2(PO4)3" +mp-565692,K3Bi5(PO4)6,-7.0394110437,-2.4674640279,0.0019469541,0.0019469541,GGA,C2/c,A5B3C24D6_mC152_15_e2f_ef_12f_3f:Bi-K-O-P,76.0,"Invalid WP multiplicities - A5B3C24D6_mC152_15_e4f_ef_45f_8f:Bi-K-O-P, expected K3Bi9(P8O45)2 to be K3Bi5(PO4)6" +mp-556606,K2BiMoPO8,-7.0941672381,-2.3331095973,0.0,-0.0250284296,GGA+U,Ibca,AB2CD8E_oI104_73_c_f_d_4f_c:Bi-K-Mo-O-P,52.0,"Invalid WP multiplicities - AB2CD8E_oI104_73_c_f_d_26f_c:Bi-K-Mo-O-P, expected K2BiMoPO52 to be K2BiMoPO8" +mp-1177168,Li5NiHO4,-5.2475693053,-1.7471845869,0.0846359415,0.0846359415,GGA+U,Pnma,AB5CD4_oP88_62_d_2c4d_2c_2c3d:H-Li-Ni-O,88.0,"Invalid WP multiplicities - AB5CD4_oP88_62_d_8c13d_5c_7c10d:H-Li-Ni-O, expected Li34Ni5H2O27 to be Li5NiHO4" +mp-781684,LiNiH12(SO7)2,-5.6471694683,-1.4495590091,0.0643267088,0.0643267088,GGA+U,P2_1,A12BCD14E2_mP60_4_12a_a_a_14a_2a:H-Li-Ni-O-S,60.0,"Invalid WP multiplicities - A12BCD14E2_mP60_4_22a_a_a_26a_2a:H-Li-Ni-O-S, expected LiNiH22(SO13)2 to be LiNiH12(SO7)2" +mp-771658,Li2NiH12(SO7)2,-5.6856116877,-1.5618298605,0.0453213331,0.0453213331,GGA+U,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-Li-Ni-O-S,62.0,"Invalid WP multiplicities - A12B2CD14E2_mP62_14_21e_e_a_25e_e:H-Li-Ni-O-S, expected Li2NiH42(SO25)2 to be Li2NiH12(SO7)2" +mp-1147649,LiNiH2,-3.924891835,-0.3062639258,0.00388897,0.00388897,GGA,P4/mmm,A2BC_tP4_123_e_a_d:H-Li-Ni,4.0,A2BC_tP4_123_e_a_d:H-Li-Ni +mp-1228627,Ba5Co5O13F,-6.7637081302,-2.1239208015,0.0471007212,0.0471007212,GGA+U,Ama2,A5B5CD13_oC96_40_b2c_a2c_b_b6c:Ba-Co-F-O,48.0,"Invalid WP multiplicities - A5B5CD13_oC96_40_b2c_a2c_b_b22c:Ba-Co-F-O, expected Ba5Co5O45F to be Ba5Co5O13F" +mp-1228594,Ba6Co6O16F,-6.7862167493,-2.1233803784,0.0274031531,0.0274031531,GGA+U,Amm2,A6B6CD16_oC58_38_ab2c_3c_a_ab2ce2f:Ba-Co-F-O,29.0,"Invalid WP multiplicities - A6B6CD16_oC58_38_ab2c_3c_a_ab4c2e4f:Ba-Co-F-O, expected Ba6Co6O30F to be Ba6Co6O16F" +mp-562662,Ba2CoC2(O3F)2,-7.4672674185,-2.6282913521,0.0079961023,0.0079961023,GGA+U,Pbca,A2B2CD2E6_oP52_61_c_c_a_c_3c:Ba-C-Co-F-O,52.0,"Invalid WP multiplicities - A2B2CD2E6_oP52_61_c_c_a_c_18c:Ba-C-Co-F-O, expected Ba2CoC2(O18F)2 to be Ba2CoC2(O3F)2" +mp-1216533,V2Zn3H2O11,-6.0952681256,-1.4760419653,0.2641738375,0.2641738375,GGA+U,C2,A2B11C2D3_mC36_5_c_a5c_c_bc:H-O-V-Zn,18.0,"Invalid WP multiplicities - A2B11C2D3_mC36_5_c_a8c_c_bc:H-O-V-Zn, expected V2Zn3H2O17 to be V2Zn3H2O11" +mp-734495,VZnHPbO5,-6.6241431061,-1.9372024004,0.0,-0.013474885,GGA+U,Pnma,AB5CDE_oP36_62_c_3cd_c_c_a:H-O-Pb-V-Zn,36.0,AB5CDE_oP36_62_c_3cd_c_c_a:H-O-Pb-V-Zn +mp-726240,VZn2HO5,-6.3434293672,-1.9290334904,0.0102417857,0.0102417857,GGA+U,Pnma,AB5CD2_oP72_62_2c_6c2d_2c_2cd:H-O-V-Zn,72.0,AB5CD2_oP72_62_2c_6c2d_2c_2cd:H-O-V-Zn +mp-1207587,Zn2Hg2H3(SO5)2,-4.9295967724,-1.1903960918,0.3558672863,0.3558672863,GGA,Pbcm,A3B2C10D2E2_oP76_57_ce_2d_2d4e_e_e:H-Hg-O-S-Zn,76.0,A3B2C10D2E2_oP76_57_ce_2d_2d4e_e_e:H-Hg-O-S-Zn +mp-761169,Zn2Hg2H2S2O11,-5.3759604512,-1.5549722618,0.0,-0.011958971,GGA,Pbcm,A2B2C11D2E2_oP76_57_e_2d_c2d4e_e_e:H-Hg-O-S-Zn,76.0,"Invalid WP multiplicities - A2B2C11D2E2_oP76_57_e_3d_2c4d7e_e_e:H-Hg-O-S-Zn, expected Zn2Hg3H2(SO10)2 to be Zn2Hg2H2S2O11" +mp-1101253,V3CoSb2(PO4)6,-7.796519338299999,-2.4126753774,0.0927562595,0.0927562595,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Co-O-P-Sb-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Co-O-P-Sb-V, expected V3CoSb2(PO10)6 to be V3CoSb2(PO4)6" +mp-774903,Cr2Fe3P6WO24,-8.1636295906,-2.3615564542,0.1003857591,0.1003857591,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-W,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cr-Fe-O-P-W, expected Cr2Fe3P6WO60 to be Cr2Fe3P6WO24" +mp-757500,Li4VFe(WO6)2,-7.735424707,-2.2121175199,0.0720533531,0.0720533531,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-V-W,20.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Fe-Li-O-V-W +mp-1177221,Li4V3Fe3(WO8)2,-8.0928480461,-2.1871068623,0.0351957547,0.0351957547,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-V-W,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-V-W +mp-770521,Li4V3Fe3(WO8)2,-8.1107373196,-2.2049961358,0.0173064811,0.0173064811,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-V-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Fe-Li-O-V-W, expected Li4V3Fe3(WO10)2 to be Li4V3Fe3(WO8)2" +mp-1197352,InSi4H41C15O,-5.1740405927,-0.2235342251,0.0888109383,0.0888109383,GGA,P2_1/c,A15B41CDE4_mP248_14_15e_41e_e_e_4e:C-H-In-O-Si,248.0,A15B41CDE4_mP248_14_15e_41e_e_e_4e:C-H-In-O-Si +mp-600220,InH6(CO3)3,-6.4861202895,-1.4695816116,0.034241394,0.034241394,GGA,P2_1/c,A3B6CD9_mP76_14_3e_6e_e_9e:C-H-In-O,76.0,"Invalid WP multiplicities - A3B6CD9_mP76_14_8e_22e_e_30e:C-H-In-O, expected InH22(C4O15)2 to be InH6(CO3)3" +mp-1225631,In3H11C6O19,-6.4208270471,-1.4225163764,0.123804715,0.123804715,GGA,P1,A6B11C3D19_aP78_1_12a_22a_6a_38a:C-H-In-O,78.0,A6B11C3D19_aP78_1_12a_22a_6a_38a:C-H-In-O +mp-1202487,InH3C2O5,-6.4812851982,-1.3794091613,0.090100318,0.090100318,GGA,I-42d,A2B3CD5_tI88_122_e_de_d_d2e:C-H-In-O,44.0,A2B3CD5_tI88_122_e_de_d_d2e:C-H-In-O +mp-849776,InH10C3O11,-6.1519589482,-1.400818289,0.0497801602,0.0497801602,GGA,P2_1/c,A3B10CD11_mP200_14_6e_20e_2e_22e:C-H-In-O,200.0,"Invalid WP multiplicities - A3B10CD11_mP200_14_21e_77e_5e_85e:C-H-In-O, expected In5H77C21O85 to be InH10C3O11" +mp-1199004,In2H6C5O11,-6.6217952706,-1.3544358116000002,0.1032610401,0.1032610401,GGA,P2_1/c,A5B6C2D11_mP96_14_5e_6e_2e_11e:C-H-In-O,96.0,A5B6C2D11_mP96_14_5e_6e_2e_11e:C-H-In-O +mp-1203730,InSi4H39C14O,-5.1719710639,-0.2411697552,0.0762785987,0.0762785987,GGA,P-1,A14B39CDE4_aP118_2_14i_39i_i_i_4i:C-H-In-O-Si,118.0,A14B39CDE4_aP118_2_14i_39i_i_i_4i:C-H-In-O-Si +mp-1200352,InH3(CO2)3,-6.7452579013000005,-1.3378740082,0.1098275432,0.1098275432,GGA,P6_3,A3B3CD6_hP78_173_3c_3c_c_6c:C-H-In-O,78.0,A3B3CD6_hP78_173_3c_3c_c_6c:C-H-In-O +mp-1202076,In4H12C15O31,-6.8836492771,-1.3433786336,0.1706389786,0.1706389786,GGA,Im-3,A15B12C4D31_cI124_204_bg_g_c_aeh:C-H-In-O,62.0,A15B12C4D31_cI124_204_bg_g_c_aeh:C-H-In-O +mp-1214481,CaU2Si2(HO3)4,-7.6916513829,-2.5311644936,0.3621597685,0.3621597685,GGA,P2_1,AB4C12D2E2_mP42_4_a_4a_12a_2a_2a:Ca-H-O-Si-U,42.0,AB4C12D2E2_mP42_4_a_4a_12a_2a_2a:Ca-H-O-Si-U +mp-1215077,CaU2Si2(HO3)4,-7.8250592351,-2.6645723458,0.2287519162,0.2287519162,GGA,P2_1/c,AB4C12D2E2_mP84_14_e_4e_12e_2e_2e:Ca-H-O-Si-U,84.0,AB4C12D2E2_mP84_14_e_4e_12e_2e_2e:Ca-H-O-Si-U +mp-730691,CaU2Si2H12O17,-7.028918415,-2.3158161623,0.0169878922,0.0169878922,GGA,P2_1,AB12C17D2E2_mP68_4_a_12a_17a_2a_2a:Ca-H-O-Si-U,68.0,AB12C17D2E2_mP68_4_a_12a_17a_2a_2a:Ca-H-O-Si-U +mp-758183,Ti3V2Fe(PO4)6,-8.432797495300001,-2.8348904533,0.0179106811,0.0179106811,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Fe-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Fe-O-P-Ti-V, expected Ti3V2Fe(PO10)6 to be Ti3V2Fe(PO4)6" +mp-758503,TiV3Fe2(PO4)6,-8.2833639458,-2.6364862581,0.0299779381,0.0299779381,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Fe-O-P-Ti-V, expected TiV3Fe2(PO10)6 to be TiV3Fe2(PO4)6" +mp-769525,TiV2Fe3(PO4)6,-8.1814423069,-2.5516169765,0.0537517253,0.0537517253,GGA+U,R3,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Ti-V,36.0,"Invalid WP multiplicities - A3B24C6DE2_hR108_146_3a_20b_2b_a_2a:Fe-O-P-Ti-V, expected TiV2Fe3(PO10)6 to be TiV2Fe3(PO4)6" +mp-851092,Ti3VFe2(PO4)6,-8.3777793611,-2.7969246764,0.0193644542,0.0193644542,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Fe-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Fe-O-P-Ti-V, expected Ti3VFe2(PO10)6 to be Ti3VFe2(PO4)6" +mp-560578,RbTeNO3F4,-5.45931974,-1.9646880505,0.0,-0.0076965345,GGA,P1,A4BC3DE_aP40_1_16a_4a_12a_4a_4a:F-N-O-Rb-Te,40.0,A4BC3DE_aP40_1_16a_4a_12a_4a_4a:F-N-O-Rb-Te +mp-669474,RbTeNO3F4,-5.4490380555,-1.954406366,0.0102816845,0.00258515,GGA,P-1,A4BC3DE_aP40_2_8i_2i_6i_2i_2i:F-N-O-Rb-Te,40.0,"Invalid WP multiplicities - A4BC3DE_aP40_2_14i_3i_11i_3i_3i:F-N-O-Rb-Te, expected Rb3Te3N3O11F14 to be RbTeNO3F4" +mp-1203988,H15PdRuN9O11,-6.0491371493,-0.7846180906,0.1704646946,0.1704646946,GGA,P-1,A15B9C11DE_aP74_2_15i_9i_11i_bc_i:H-N-O-Pd-Ru,74.0,A15B9C11DE_aP74_2_15i_9i_11i_bc_i:H-N-O-Pd-Ru +mp-1219153,RbTlP2(HO2)4,-6.2606069031,-2.0534696467,0.0047964036,0.0047964036,GGA,P2_1,A4B8C2DE_mP32_4_4a_8a_2a_a_a:H-O-P-Rb-Tl,32.0,A4B8C2DE_mP32_4_4a_8a_2a_a_a:H-O-P-Rb-Tl +mp-707406,Rb6Te3P6(H13O20)2,-5.9314426928,-1.8095740166,0.0225875842,0.0225875842,GGA,P-1,A26B40C6D6E3_aP81_2_13i_20i_3i_3i_bcd:H-O-P-Rb-Te,81.0,A26B40C6D6E3_aP81_2_13i_20i_3i_3i_bcd:H-O-P-Rb-Te +mp-1196258,KMn(CN)3,-8.0989501559,-0.2279632195,0.1330977377,0.1330977377,GGA,P2_1/c,A3BCD3_mP32_14_3e_e_ad_3e:C-K-Mn-N,32.0,A3BCD3_mP32_14_3e_e_ab_3e:C-K-Mn-N +mp-726636,K2MnN4,-6.136401995,0.2534255602,0.6747856929,0.6747856929,GGA,P2_1/c,A2BC4_mP28_14_2e_e_4e:K-Mn-N,28.0,A2BC4_mP28_14_2e_e_4e:K-Mn-N +mp-1245804,KMnN,-6.3923892975,-0.1894195761,0.1490993269,0.1490993269,GGA,Pnma,ABC_oP12_62_c_c_c:K-Mn-N,12.0,ABC_oP12_62_c_c_c:K-Mn-N +mp-1246694,KMnN,-6.18552259,0.0174471314,0.3559660344,0.3559660344,GGA,P4/mmm,ABC_tP3_123_c_b_a:K-Mn-N,3.0,ABC_tP3_123_c_b_a:K-Mn-N +mp-628216,Cs2KMn(CN)6,-7.6077004388,-0.2668140957,0.0823586981,0.0823586981,GGA,P2_1/c,A6B2CDE6_mP32_14_3e_e_a_d_3e:C-Cs-K-Mn-N,32.0,"Invalid WP multiplicities - A6B2CDE6_mP32_14_8e_e_a_b_10e:C-Cs-K-Mn-N, expected Cs2KMn(C4N5)4 to be Cs2KMn(CN)6" +mp-1029804,KMnN2,-7.1951712183,-0.458820196,0.0,-0.0504868055,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:K-Mn-N,64.0,ABC2_oP64_61_2c_2c_4c:K-Mn-N +mp-540801,K3Mn(CN)6,-7.6210238203,-0.2532629054,0.1444053735,0.1444053735,GGA,P2_1/c,A6B3CD6_mP32_14_3e_ae_c_3e:C-K-Mn-N,32.0,A6B3CD6_mP32_14_3e_ae_c_3e:C-K-Mn-N +mp-1246385,K2MnN2,-5.9737860745,-0.3626254673,0.0044306895,0.0044306895,GGA,Pnma,A2BC2_oP20_62_2c_c_2c:K-Mn-N,20.0,A2BC2_oP20_62_2c_c_2c:K-Mn-N +mp-1244512,K2CoPb(NO2)6,-6.5986633364,-1.0340725707,0.110522452,0.110522452,GGA+U,Fmmm,AB2C6D12E_oF88_69_a_f_ghi_mno_b:Co-K-N-O-Pb,22.0,"Invalid WP multiplicities - AB2C6D12E_oF88_69_a_f_2g2hi_3m3n2o_b:Co-K-N-O-Pb, expected K2CoPb(N5O16)2 to be K2CoPb(NO2)6" +mp-21212,K2CoPb(NO2)6,-6.5833951055,-1.0188043398,0.1257906829,0.1257906829,GGA+U,Fm-3,AB2C6D12E_cF88_202_a_c_e_h_b:Co-K-N-O-Pb,22.0,AB2C6D12E_cF88_202_a_c_e_h_b:Co-K-N-O-Pb +mp-1020705,Rb2Li3B(P2O7)2,-7.1261183554,-2.7396983346,0.0,-0.0135184831,GGA,Cmce,AB3C14D4E2_oC192_64_d_dg_ef6g_2g_ef:B-Li-O-P-Rb,96.0,AB3C14D4E2_oC192_64_d_dg_ef6g_2g_ef:B-Li-O-P-Rb +mp-1520582,KLaMnWO6,-8.362126685,-2.5774583008,0.108833923,0.108833923,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mn-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Mn-O-W +mp-686765,YTi2CdO6F,-8.1651056714,-3.1858369312,0.1415743924,0.1415743924,GGA,Imma,ABC6D2E_oI44_74_a_e_2ej_bc_d:Cd-F-O-Ti-Y,22.0,"Invalid WP multiplicities - ABC6D2E_oI44_74_a_e_4e5j_2b2c_d:Cd-F-O-Ti-Y, expected YTi4CdO24F to be YTi2CdO6F" +mp-1192990,C2SeNClO2,-6.3395229118,-0.3350012732,0.5727726538,0.5727726538,GGA,P2_1/c,A2BCD2E_mP28_14_2e_e_e_2e_e:C-Cl-N-O-Se,28.0,A2BCD2E_mP28_14_2e_e_e_2e_e:C-Cl-N-O-Se +mp-722563,C2SeNClO2,-6.2968730539,-0.2923514153,0.6154225116,0.6154225116,GGA,P2_1/c,A2BCD2E_mP28_14_2e_e_e_2e_e:C-Cl-N-O-Se,28.0,A2BCD2E_mP28_14_2e_e_e_2e_e:C-Cl-N-O-Se +mp-1203888,NaCeS2O9,-6.8855480869,-2.2664163497,0.0979520248,0.0979520248,GGA,P3_121,ABC9D2_hP39_152_a_b_a4c_c:Ce-Na-O-S,39.0,ABC9D2_hP39_152_a_b_a4c_c:Ce-Na-O-S +mp-1197944,K2CeS3O13,-6.6430819299,-2.1762298301,0.0702423091,0.0702423091,GGA,C2,AB2C13D3_mC152_5_2c_ab3c_26c_6c:Ce-K-O-S,76.0,AB2C13D3_mC152_5_2c_ab3c_26c_6c:Ce-K-O-S +mp-554603,K5NaCe2(SO4)6,-6.7093327592000005,-2.4388083747,0.0,-0.0145380889,GGA,C2/m,A2B5CD24E6_mC76_12_g_aj_c_2i5j_ij:Ce-K-Na-O-S,38.0,"Invalid WP multiplicities - A2B5CD24E6_mC76_12_g_a2j_d_4i18j_2i2j:Ce-K-Na-O-S, expected K9NaCe2(S3O20)4 to be K5NaCe2(SO4)6" +mp-1211829,KCe(SO4)2,-7.0929239079,-2.5187657808,0.0,-0.0389847497,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:Ce-K-O-S,24.0,ABC8D2_aP24_2_i_i_8i_2i:Ce-K-O-S +mp-697018,SrZnP2(HO4)2,-5.9562504386,-1.660907306,0.850951933,0.850951933,GGA,P-1,A2B8C2DE_aP28_2_2i_8i_2i_i_i:H-O-P-Sr-Zn,28.0,A2B8C2DE_aP28_2_2i_8i_2i_i_i:H-O-P-Sr-Zn +mp-1215086,CaAsH5(WO2)2,-5.9048646746,-0.5716828427,0.8421028485000001,0.8421028485000001,GGA+U,Cc,ABC5D4E2_mC52_9_a_a_5a_4a_2a:As-Ca-H-O-W,,ABC5D4E2_mC52_9_a_a_5a_4a_2a:As-Ca-H-O-W +mp-778031,Li3V(BO3)2,-7.4262706408,-2.6054714342,0.0517520875,0.0517520875,GGA+U,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-V,48.0,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-V +mp-861259,Li3V(BO3)2,-7.4296469038,-2.6088476972,0.0483758246,0.0483758246,GGA+U,P-1,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-V,48.0,A2B3C6D_aP24_2_2i_3i_6i_i:B-Li-O-V +mp-772628,Li3V(BO3)2,-7.4509858462,-2.6301866397,0.0270368821,0.0270368821,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_11e_21e_e:B-Li-O-V, expected Li11V(BO3)7 to be Li3V(BO3)2" +mp-772630,Li3V(BO3)2,-7.4260501969,-2.6052509903,0.0519725315,0.0519725315,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_3e_11e_19e_e:B-Li-O-V, expected Li11VB3O19 to be Li3V(BO3)2" +mp-770343,Li3V(BO3)2,-7.3916569221,-2.5708577155,0.0863658063,0.0863658063,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_5e_9e_21e_e:B-Li-O-V, expected Li9VB5O21 to be Li3V(BO3)2" +mp-770345,Li3V(BO3)2,-7.4106189758,-2.5898197692,0.0674037525,0.0674037525,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Li-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_9e_21e_e:B-Li-O-V, expected Li9V(BO3)7 to be Li3V(BO3)2" +mp-1188823,V5Si3B,-8.2139580389,-0.616749571,0.0034944132,0.0034944132,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:B-Si-V,18.0,AB3C5_hP18_193_b_g_dg:B-Si-V +mp-771263,Li3VSiBO7,-7.4217002235,-2.6876844196,0.0738157355,0.0738157355,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Li-O-Si-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Li-O-Si-V +mp-754347,LiVBO4,-7.9118176282,-2.5605354064,0.0829083587,0.0829083587,GGA+U,Pc,ABC4D_mP28_7_2a_2a_8a_2a:B-Li-O-V,28.0,ABC4D_mP28_7_4a_4a_16a_4a:B-Li-O-V +mp-754763,LiVBO4,-7.9314451607,-2.5801629389,0.0632808262,0.0632808262,GGA+U,Ccc2,ABC4D_oC56_37_d_d_4d_d:B-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_oC56_37_d_d_13d_d:B-Li-O-V, expected LiVBO13 to be LiVBO4" +mp-756511,LiVBO4,-7.9529358961,-2.6016536743,0.0417900908,0.0417900908,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:B-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_13c_c:B-Li-O-V, expected LiVBO13 to be LiVBO4" +mp-754861,LiVBO4,-7.9041340361,-2.5528518143,0.0905919508,0.0905919508,GGA+U,Pnma,ABC4D_oP28_62_c_c_2cd_a:B-Li-O-V,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_7c2d_a:B-Li-O-V, expected LiVBO11 to be LiVBO4" +mp-754909,LiVBO4,-7.9071268886,-2.5558446668,0.0875990983,0.0875990983,GGA+U,I-4,ABC4D_tI14_82_c_a_g_b:B-Li-O-V,7.0,ABC4D_tI14_82_c_a_g_b:B-Li-O-V +mp-768856,LiVBO4,-7.9043189898,-2.553036768,0.0904069971,0.0904069971,GGA+U,R3,ABC4D_hR126_146_2b_2b_8b_2b:B-Li-O-V,42.0,"Invalid WP multiplicities - ABC4D_hR126_146_5b_4b_21b_5b:B-Li-O-V, expected Li4V5B5O21 to be LiVBO4" +mp-768922,LiVBO4,-7.905158106,-2.5538758842,0.089567881,0.089567881,GGA+U,R-3,ABC4D_hR126_148_f_f_4f_f:B-Li-O-V,42.0,"Invalid WP multiplicities - ABC4D_hR126_148_f_f_17f_f:B-Li-O-V, expected LiVBO17 to be LiVBO4" +mp-777961,Li4V(BO3)2,-7.2125326687,-2.6157239497,0.0,-0.0512563634,GGA+U,Pnnm,A2B4C6D_oP26_58_g_2g_3g_a:B-Li-O-V,52.0,A2B4C6D_oP26_58_g_2g_3g_a:B-Li-O-V +mp-768885,Li3VB4O9,-7.7454500571,-2.6837771068,0.0515483913,0.0515483913,GGA+U,P2_1/m,A4B3C9D_mP34_11_2ef_ef_3e3f_e:B-Li-O-V,34.0,"Invalid WP multiplicities - A4B3C9D_mP34_11_4ef_e2f_6e5f_e:B-Li-O-V, expected Li5V(B3O8)2 to be Li3VB4O9" +mp-770361,LiV2BO5,-8.3458343528,-2.6247709824000003,0.0009025843,0.0009025843,GGA+U,Pbam,ABC5D2_oP36_55_g_ad_3g2h_gh:B-Li-O-V,36.0,"Invalid WP multiplicities - ABC5D2_oP36_55_g_2a2d_10g7h_2g3h:B-Li-O-V, expected Li2V5BO17 to be LiV2BO5" +mp-768849,Li3VBO5,-7.1251168400000005,-2.5027658403,0.09292083,0.09292083,GGA+U,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:B-Li-O-V,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_6a_10a_a:B-Li-O-V, expected Li6VBO10 to be Li3VBO5" +mp-770782,Li6V(BO3)3,-7.0419386012,-2.5632113915,0.0653860418,0.0653860418,GGA+U,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:B-Li-O-V,76.0,"Invalid WP multiplicities - A3B6C9D_mP76_14_9e_23e_33e_e:B-Li-O-V, expected Li23V(B3O11)3 to be Li6V(BO3)3" +mp-778756,LiVBO3,-7.89049798,-2.4717835065,0.0967746025,0.0967746025,GGA+U,P-1,ABC3D_aP12_2_i_i_3i_i:B-Li-O-V,24.0,ABC3D_aP12_2_i_i_3i_i:B-Li-O-V +mp-756785,LiVBO3,-7.9071353806,-2.488420907,0.080137202,0.080137202,GGA+U,P-6,ABC3D_hP18_174_acf_j_2jk_k:B-Li-O-V,36.0,ABC3D_hP18_174_acf_j_2jk_k:B-Li-O-V +mp-768913,LiVB2O5,-8.1475492669,-2.693654152,0.038736955,0.038736955,GGA+U,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:B-Li-O-V,36.0,"Invalid WP multiplicities - A2BC5D_mP36_14_3e_e_19e_e:B-Li-O-V, expected LiVB3O19 to be LiVB2O5" +mp-768944,LiVB2O5,-8.1268353258,-2.6729402109,0.0594508961,0.0594508961,GGA+U,P2_1/c,A2BC5D_mP72_14_4e_2e_10e_2e:B-Li-O-V,72.0,"Invalid WP multiplicities - A2BC5D_mP72_14_7e_3e_39e_7e:B-Li-O-V, expected Li3V7B7O39 to be LiVB2O5" +mp-773200,LiVB2O5,-8.1150109525,-2.6611158375,0.0712752694,0.0712752694,GGA+U,C2/c,A2BC5D_mC72_15_2f_2e_5f_f:B-Li-O-V,36.0,"Invalid WP multiplicities - A2BC5D_mC72_15_7f_3e_17f_f:B-Li-O-V, expected Li3V2(B7O17)2 to be LiVB2O5" +mp-1178191,Li19V8(BO3)16,-7.5898581575,-2.6090657454,0.06949791,0.06949791,GGA+U,P1,A16B19C48D8_aP91_1_16a_19a_48a_8a:B-Li-O-V,91.0,A16B19C48D8_aP91_1_16a_19a_48a_8a:B-Li-O-V +mp-10126,V5SiB2,-8.7088704144,-0.6834164242,0.0,-0.0368911147,GGA,I4/mcm,A2BC5_tI32_140_h_a_cl:B-Si-V,16.0,A2BC5_tI32_140_h_a_cl:B-Si-V +mp-756548,LiV5(BO5)2,-8.6577670406,-2.5380934922,0.0215039862,0.0215039862,GGA+U,Pbam,A2BC10D5_oP36_55_g_a_3g2h_dgh:B-Li-O-V,36.0,"Invalid WP multiplicities - A2BC10D5_oP36_55_g_a_10g7h_2d2g4h:B-Li-O-V, expected LiV14(BO17)2 to be LiV5(BO5)2" +mp-770368,Li3V3(BO5)2,-7.8896270572,-2.5671738648,0.0606637778,0.0606637778,GGA+U,P1,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V,36.0,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V +mp-770382,Li3V3(BO5)2,-7.8864851442,-2.5640319517,0.0638056908,0.0638056908,GGA+U,P1,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V,36.0,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V +mp-770487,Li3V3(BO5)2,-7.8896804564,-2.5672272639,0.0606103786,0.0606103786,GGA+U,P1,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V,36.0,A2B3C10D3_aP36_1_4a_6a_20a_6a:B-Li-O-V +mp-770358,Li3V3(BO5)2,-7.8980701956,-2.5756170031,0.0522206394,0.0522206394,GGA+U,P-1,A2B3C10D3_aP36_2_2i_bcdhi_10i_3i:B-Li-O-V,36.0,"Invalid WP multiplicities - A2B3C10D3_aP36_2_3i_bcdh2i_19i_5i:B-Li-O-V, expected Li4V5B3O19 to be Li3V3(BO5)2" +mp-770155,Li3V3(BO5)2,-7.9010833033,-2.5786301109,0.0492075317,0.0492075317,GGA+U,P2_1,A2B3C10D3_mP36_4_2a_3a_10a_3a:B-Li-O-V,36.0,"Invalid WP multiplicities - A2B3C10D3_mP36_4_2a_5a_18a_4a:B-Li-O-V, expected Li5V4(BO9)2 to be Li3V3(BO5)2" +mp-770381,Li3V3(BO5)2,-7.8723639767,-2.5499107842,0.0779268583,0.0779268583,GGA+U,Pm,A2B3C10D3_mP36_6_4a_5ab_12a8b_a5b:B-Li-O-V,36.0,A2B3C10D3_mP36_6_4a_5ab_12a8b_a5b:B-Li-O-V +mp-770170,Li3V3(BO5)2,-7.8837485036,-2.5612953112,0.0665423314,0.0665423314,GGA+U,Pm,A2B3C10D3_mP36_6_4a_a5b_12a8b_5ab:B-Li-O-V,36.0,A2B3C10D3_mP36_6_4a_a5b_12a8b_5ab:B-Li-O-V +mp-770354,Li3V3(BO5)2,-7.897832435,-2.5753792425,0.0524583999999999,0.0524583999999999,GGA+U,P2_1/c,A2B3C10D3_mP36_14_e_ae_5e_de:B-Li-O-V,36.0,"Invalid WP multiplicities - A2B3C10D3_mP36_14_e_2a2e_17e_2d2e:B-Li-O-V, expected Li3V3BO17 to be Li3V3(BO5)2" +mp-770154,Li3V3(BO5)2,-7.8866634167,-2.5642102242,0.0636274183,0.0636274183,GGA+U,Pmc2_1,A2B3C10D3_oP36_26_2a_2ab_6a4b_a2b:B-Li-O-V,36.0,"Invalid WP multiplicities - A2B3C10D3_oP36_26_2a_3a2b_10a8b_a3b:B-Li-O-V, expected Li5V4(BO9)2 to be Li3V3(BO5)2" +mp-772588,Li2V5B3O13,-8.4182538467,-2.6103188623,0.0374697208,0.0374697208,GGA+U,P2_1/m,A3B2C13D5_mP46_11_3e_2e_13e_5e:B-Li-O-V,46.0,"Invalid WP multiplicities - A3B2C13D5_mP46_11_5e_3e_25e_9e:B-Li-O-V, expected Li3V9(BO5)5 to be Li2V5B3O13" +mp-768868,Li2VBO4,-7.4469369819,-2.5259496795,0.0905722591,0.0905722591,GGA+U,Pc,AB2C4D_mP16_7_a_2a_4a_a:B-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_mP16_7_a_4a_8a_a:B-Li-O-V, expected Li4VBO8 to be Li2VBO4" +mp-768177,Li2VBO4,-7.4679328631,-2.5469455607,0.0695763778,0.0695763778,GGA+U,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:B-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_11e_e:B-Li-O-V, expected Li3VBO11 to be Li2VBO4" +mp-1177802,Li2VBO4,-7.4350724519,-2.5140851495,0.1024367891,0.1024367891,GGA+U,C222_1,AB2C4D_oC32_20_a_ab_2c_b:B-Li-O-V,16.0,"Invalid WP multiplicities - AB2C4D_oC32_20_a_2ab_3c_b:B-Li-O-V, expected Li3VBO6 to be Li2VBO4" +mp-754873,Li2VBO4,-7.4366250447,-2.5156377423,0.1008841962,0.1008841962,GGA+U,Pmn2_1,AB2C4D_oP16_31_a_b_2ab_a:B-Li-O-V,32.0,AB2C4D_oP16_31_a_b_2ab_a:B-Li-O-V +mp-770151,Li2VBO4,-7.4423144397,-2.5213271373,0.0951948012,0.0951948012,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:B-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:B-Li-O-V, expected Li5VBO13 to be Li2VBO4" +mp-768869,Li2VBO4,-7.4491691547,-2.5281818523,0.0883400862,0.0883400862,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:B-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_5a_13a_a:B-Li-O-V, expected Li5VBO13 to be Li2VBO4" +mp-770346,Li2VBO4,-7.4320145634,-2.511027261,0.1054946775,0.1054946775,GGA+U,Pnma,AB2C4D_oP32_62_c_d_2cd_c:B-Li-O-V,32.0,"Invalid WP multiplicities - AB2C4D_oP32_62_c_d_6c3d_c:B-Li-O-V, expected Li2VBO12 to be Li2VBO4" +mp-1188856,V5Si2B,-8.2431000844,-0.3744053118,0.2456846906,0.2456846906,GGA,I4/mcm,AB2C5_tI32_140_a_h_cl:B-Si-V,16.0,AB2C5_tI32_140_a_h_cl:B-Si-V +mp-770344,Li3V(BO2)5,-7.8063899666,-2.6656257225,0.0675963409,0.0675963409,GGA+U,P-1,A5B3C10D_aP38_2_5i_3i_10i_i:B-Li-O-V,38.0,"Invalid WP multiplicities - A5B3C10D_aP38_2_9i_5i_19i_i:B-Li-O-V, expected Li5VB9O19 to be Li3V(BO2)5" +mp-772429,Li2V(BO2)5,-8.065439475,-2.7451284878,0.038816764,0.038816764,GGA+U,P2_1/c,A5B2C10D_mP72_14_5e_2e_10e_e:B-Li-O-V,72.0,"Invalid WP multiplicities - A5B2C10D_mP72_14_9e_3e_27e_e:B-Li-O-V, expected Li3V(BO3)9 to be Li2V(BO2)5" +mp-1216643,V10Si6B,-8.2534949,-0.6022972147,0.0,-0.013776345,GGA,P-31m,AB6C10_hP17_162_a_k_cdk:B-Si-V,17.0,AB6C10_hP17_162_a_k_cdk:B-Si-V +mp-6219,K3Co(CN)6,-7.5362504394,-0.2968456181,0.0654300103,0.0654300103,GGA,P2_1/c,A6BC3D6_mP32_14_3e_a_ce_3e:C-Co-K-N,32.0,"Invalid WP multiplicities - A6BC3D6_mP32_14_3e_a_c2e_3e:C-Co-K-N, expected K5Co(CN)6 to be K3Co(CN)6" +mp-680493,K3Co(CN)6,-7.528592411,-0.2891875897,0.0730880386,0.0730880386,GGA,Pnc2,A6BC3D6_oP128_30_12c_abc_ab5c_12c:C-Co-K-N,128.0,"Invalid WP multiplicities - A6BC3D6_oP128_30_43c_2a2b3c_2a2b17c_47c:C-Co-K-N, expected K19Co5C43N47 to be K3Co(CN)6" +mp-680180,K3Co(CN)6,-7.5304175938,-0.2910127725,0.0712628558,0.0712628558,GGA,Pbcn,A6BC3D6_oP128_60_6d_ac_bc2d_6d:C-Co-K-N,128.0,"Invalid WP multiplicities - A6BC3D6_oP128_60_36d_3a4c_3b4c11d_41d:C-Co-K-N, expected K29Co7(C36N41)2 to be K3Co(CN)6" +mp-505662,Cs2KCo(CN)6,-7.5257475156,-0.3132172662,0.0,-0.0076163922,GGA,P2_1/c,A6BC2DE6_mP32_14_3e_a_e_d_3e:C-Co-Cs-K-N,32.0,"Invalid WP multiplicities - A6BC2DE6_mP32_14_9e_a_e_b_8e:C-Co-Cs-K-N, expected Cs2KCo(C9N8)2 to be Cs2KCo(CN)6" +mp-13038,Dy2C(NO)2,-8.9232649186,-2.4934639979,0.0,-0.2258746635,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Dy-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Dy-N-O +mp-1213562,DyCrC6(N3O2)2,-7.7604012372,-0.0138705894,1.0402023888,1.0402023888,GGA+U,Cmcm,A6BCD6E4_oC72_63_fh_a_c_fh_fg:C-Cr-Dy-N-O,36.0,A6BCD6E4_oC72_63_fh_a_c_fh_fg:C-Cr-Dy-N-O +mp-772048,Na2BiBSO7,-6.4868745479,-2.1595243535,0.089332135,0.089332135,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Bi-Na-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Bi-Na-O-S, expected Na2BiBSO13 to be Na2BiBSO7" +mp-779161,Na4Bi2B4SO16,-6.7139475133,-2.1594247073,0.0686418429,0.0686418429,GGA,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:B-Bi-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:B-Bi-Na-O-S, expected Na10Bi2B4SO84 to be Na4Bi2B4SO16" +mp-675531,NaBiS2,-4.3410582125,-0.9820796732,0.023989495,-0.1054397675,GGA,Fdd2,ABC2_oF32_43_a_a_b:Bi-Na-S,8.0,ABC2_oF32_43_a_a_b:Bi-Na-S +mp-1221122,NaBiS2,-4.2676395875,-0.9086610482,0.09740812,-0.0320211425,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Bi-Na-S,4.0,ABC2_tP4_123_a_d_bc:Bi-Na-S +mp-1173043,NaBiS2,-4.341466695,-0.9824881557,0.0235810125,-0.10584825,GGA,I4_1/amd,ABC2_tI16_141_a_b_e:Bi-Na-S,8.0,ABC2_tI16_141_a_b_e:Bi-Na-S +mp-1221125,NaBiS2,-4.3650477075000005,-1.0060691682,0.0,-0.1294292625,GGA,R-3m,ABC2_hR12_166_a_b_c:Bi-Na-S,4.0,ABC2_hR12_166_a_b_c:Bi-Na-S +mp-779289,Na6Bi2B4SO16,-6.6030003309000005,-2.271373905,0.0178363797,0.0178363797,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Bi-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_4e3g_b:B-Bi-Na-O-S, expected Na6Bi2B4SO52 to be Na6Bi2B4SO16" +mp-1200964,PrH2C2Cl2O9,-6.2827362295,-1.3926761951,0.267589255,0.267589255,GGA,P2_1/c,A2B2C2D9E_mP64_14_2e_2e_2e_9e_e:C-Cl-H-O-Pr,64.0,A2B2C2D9E_mP64_14_2e_2e_2e_9e_e:C-Cl-H-O-Pr +mp-1197238,PrC2ClO7,-6.7478872148,-1.3193786349,0.6403838524000001,0.6403838524000001,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:C-Cl-O-Pr,44.0,A2BC7D_mP44_14_2e_e_7e_e:C-Cl-O-Pr +mp-1209664,PrH6(CO3)3,-6.8853204871,-1.7619806501,0.0054956145,-0.0179714376,GGA,P-1,A3B6C9D_aP38_2_3i_6i_9i_i:C-H-O-Pr,38.0,A3B6C9D_aP38_2_3i_6i_9i_i:C-H-O-Pr +mp-1209824,PrH6(CO3)3,-6.8908161016000005,-1.7674762645,0.0,-0.0234670521,GGA,P2_1/c,A3B6C9D_mP76_14_3e_6e_9e_e:C-H-O-Pr,76.0,A3B6C9D_mP76_14_3e_6e_9e_e:C-H-O-Pr +mp-1203958,KErP2O9,-7.0793855506,-2.3851608451,0.2797537533,0.2797537533,GGA,P2_1/c,ABC9D2_mP52_14_e_e_9e_2e:Er-K-O-P,52.0,ABC9D2_mP52_14_e_e_9e_2e:Er-K-O-P +mp-1212140,K2Er2(PO4)3,-7.6860246482,-3.1093716182,0.0035206098,0.0035206098,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Er-K-O-P,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Er-K-O-P +mp-1211811,KErP2O7,-7.7977666843,-3.1494445253,0.0,-0.009737943,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Er-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Er-K-O-P +mp-677014,K2ErTi(PO4)3,-7.8517857536,-3.0999867654,0.0087037822,0.0087037822,GGA,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Er-K-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_cP76_198_a_5a_41b_b_a:Er-K-O-P-Ti, expected K5ErTi(PO41)3 to be K2ErTi(PO4)3" +mp-18572,KEr(PO3)4,-7.7348504056,-2.9186508323,0.0148654121,0.0148654121,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Er-K-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:Er-K-O-P +mp-541636,KEr(PO3)4,-7.7374718982,-2.9212723249,0.0122439194,0.0122439194,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Er-K-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Er-K-O-P +mp-554615,KEr(PO3)4,-7.7438410204,-2.9276414472,0.0058747972,0.0058747972,GGA,C222_1,ABC12D4_oC144_20_c_c_12c_ab3c:Er-K-O-P,72.0,"Invalid WP multiplicities - ABC12D4_oC144_20_c_c_43c_2a2b10c:Er-K-O-P, expected KErP12O43 to be KEr(PO3)4" +mp-1105240,KNdMnWO6,-8.421949335,-2.6540669181,0.0,-0.008652215,GGA+U,P2_1,ABCD6E_mP20_4_a_a_a_6a_a:K-Mn-Nd-O-W,20.0,ABCD6E_mP20_4_a_a_a_6a_a:K-Mn-Nd-O-W +mp-769599,NaCrPCO7,-7.6923383836,-2.2155782253,0.0564230336,0.0564230336,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cr-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cr-Na-O-P, expected NaCrPCO13 to be NaCrPCO7" +mp-769616,Na2CrPCO7,-7.5287138423,-2.3981399227,0.0,-0.0420919496,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-P,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-P +mp-782637,Na4Cr2P(CO4)4,-7.4969160604,-2.0868723578,0.063655592,0.063655592,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Cr-Na-O-P,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Cr-Na-O-P, expected Na10Cr2P(CO21)4 to be Na4Cr2P(CO4)4" +mp-771329,Na3CrPCO7,-7.1597802812,-2.322133179,0.0308532434,0.0308532434,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cr-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Cr-Na-O-P, expected Na5CrPCO13 to be Na3CrPCO7" +mp-769634,Na3CrPCO7,-7.1786767819,-2.3410296797,0.0119567426,0.0119567426,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Na-O-P +mp-776311,Na5Cr2P(CO4)4,-7.3966059452,-2.1325450429,0.058625523,0.058625523,GGA+U,C2/c,A4B2C5D16E_mC112_15_2f_ac_e2f_8f_e:C-Cr-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_mC112_15_7f_2ac_2e8f_31f_e:C-Cr-Na-O-P, expected Na18Cr3P(C7O31)2 to be Na5Cr2P(CO4)4" +mp-775934,Na5Cr2P(CO4)4,-7.3971752595,-2.1331143572,0.0580562087,0.0580562087,GGA+U,Fdd2,A4B2C5D16E_oF224_43_2b_b_a2b_8b_a:C-Cr-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_oF224_43_4b_b_2a7b_20b_a:C-Cr-Na-O-P, expected Na16Cr2P(CO5)8 to be Na5Cr2P(CO4)4" +mp-770548,Na6Cr2P(CO4)4,-7.2779001802,-2.1497542989,0.043333945,0.043333945,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Cr-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Cr-Na-O-P, expected Na6Cr2P(CO27)4 to be Na6Cr2P(CO4)4" +mp-1520379,SrCaYVO6,-7.981287909,-3.0887276306,0.1956939157,0.1956939157,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sr-V-Y +mp-554043,KCa9Mn(PO4)7,-7.6806308615,-3.2301261959,0.0,-0.0090077563,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-K-Mn-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_15b_a_a_2a49b_2a10b:Ca-K-Mn-O-P, expected KCa45MnP32O149 to be KCa9Mn(PO4)7" +mp-1229270,Al11H2NO17,-7.4972747506,-2.9676944527,0.155958502,0.155958502,GGA,Ama2,A11B2CD17_oC124_40_a5c_2b_b_b8c:Al-H-N-O,62.0,"Invalid WP multiplicities - A11B2CD17_oC124_40_a12c_3b_b_b22c:Al-H-N-O, expected Al25H3NO45 to be Al11H2NO17" +mp-707784,AlH18(NO6)3,-5.764994781,-1.2933816256,0.0017794621,0.0017794621,GGA,P2_1/c,AB18C3D18_mP160_14_ad_18e_3e_18e:Al-H-N-O,160.0,AB18C3D18_mP160_14_ad_18e_3e_18e:Al-H-N-O +mp-1197821,AlH14SeNO14,-5.6553973382,-1.3866944731,0.0,-0.0113184735,GGA,P-1,AB14CD14E_aP62_2_i_14i_i_14i_i:Al-H-N-O-Se,62.0,AB14CD14E_aP62_2_i_14i_i_14i_i:Al-H-N-O-Se +mp-1203296,AlH12(NO5)3,-5.9334213269,-1.2989663652,0.0,-0.0105130443,GGA,C2/c,AB12C3D15_mC124_15_c_6f_ef_e7f:Al-H-N-O,62.0,AB12C3D15_mC124_15_a_6f_ef_e7f:Al-H-N-O +mp-699485,AlH12(NO5)3,-5.9290152695,-1.2945603078,0.0044060574,-0.0061069869,GGA,Ia-3,AB12C3D15_cI248_206_a_2e_d_d2e:Al-H-N-O,124.0,AB12C3D15_cI248_206_a_2e_d_d2e:Al-H-N-O +mp-1214825,AlSe2NO8,-5.7353341075,-0.8480504908000001,0.6587226354,0.6587226354,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Al-N-O-Se,12.0,ABC8D2_hP12_150_a_b_dg_d:Al-N-O-Se +mp-1332813,MgVNiP2O9,-7.691461333899999,-2.5620951757,0.0366060448,0.0366060448,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-V,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-V +mp-15531,BaVZnP2O9,-7.594974857,-2.7657299974000003,0.012238432,0.012238432,GGA+U,Pbca,AB9C2DE_oP112_61_c_9c_2c_c_c:Ba-O-P-V-Zn,112.0,"Invalid WP multiplicities - AB9C2DE_oP112_61_c_12c_2c_c_c:Ba-O-P-V-Zn, expected BaVZn(PO6)2 to be BaVZnP2O9" +mp-768161,LiSiPCO7,-7.6564481155,-2.5107181269,0.0924411849,0.0924411849,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-Si,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-P-Si, expected LiSiPCO13 to be LiSiPCO7" +mp-1199687,Si6As2H36(C4O)3,-5.336226207,-0.4278815519,0.0397304316,0.0397304316,GGA,Fdd2,A2B12C36D3E6_oF944_43_2b_12b_36b_3b_6b:As-C-H-O-Si,236.0,A2B12C36D3E6_oF944_43_2b_12b_36b_3b_6b:As-C-H-O-Si +mp-15541,KNa2Si12(BO10)3,-8.0665260939,-3.1228156242,0.0,-0.0020814198,GGA,P6/mcc,A3BC2D30E12_hP96_192_f_a_c_l2m_m:B-K-Na-O-Si,96.0,"Invalid WP multiplicities - A3BC2D30E12_hP96_192_f_a_c_l6m_m:B-K-Na-O-Si, expected KNa2Si12(BO26)3 to be KNa2Si12(BO10)3" +mp-1223419,KSi5BO13,-7.8379430083,-2.8767763025,0.1212096659,0.1212096659,GGA,Pmn2_1,ABC13D5_oP40_31_a_a_3a5b_a2b:B-K-O-Si,40.0,ABC13D5_oP40_31_a_a_3a5b_a2b:B-K-O-Si +mp-1019889,KSi2BO6,-7.8867989612,-3.0547430567,0.0,-0.0218447577,GGA,P2_12_12_1,ABC6D2_oP40_19_a_a_6a_2a:B-K-O-Si,40.0,ABC6D2_oP40_19_a_a_6a_2a:B-K-O-Si +mp-1211911,K2Si5BO12,-7.7136551728,-2.9443029553,0.1011499362,0.1011499362,GGA,Pmn2_1,AB2C12D5_oP40_31_a_2a_2a5b_a2b:B-K-O-Si,40.0,AB2C12D5_oP40_31_a_2a_2a5b_a2b:B-K-O-Si +mp-1211422,KPtBr3N,-3.8446174,-0.4817653697,0.573608545,0.573608545,GGA,Cmcm,A3BCD_oC24_63_cf_a_c_c:Br-K-N-Pt,12.0,A3BCD_oC24_63_cf_a_c_c:Br-K-N-Pt +mp-1182323,KPtBr3NO,-3.9094598602,-0.3203454469,0.783000334,0.783000334,GGA,Pbcn,A3BCDE_oP84_60_c4d_cd_cd_ad_cd:Br-K-N-O-Pt,84.0,A3BCDE_oP84_60_c4d_cd_cd_ad_cd:Br-K-N-O-Pt +mp-1224397,K3Ge7HO20,-5.9686389094,-1.5164165837,0.338586768,0.338586768,GGA,R3m,A7BC3D20_hR93_160_a2b_a_b_2a4bc:Ge-H-K-O,31.0,"Invalid WP multiplicities - A7BC3D20_hR93_160_a2b_a_b_2a6b3c:Ge-H-K-O, expected K3Ge7HO38 to be K3Ge7HO20" +mp-1195258,K3GdGe3(HO5)2,-6.9045009841,-2.2977250973,0.0,-0.0490045983,GGA,Pnma,AB3C2D3E10_oP76_62_c_cd_d_cd_2c4d:Gd-Ge-H-K-O,76.0,AB3C2D3E10_oP76_62_c_cd_d_cd_2c4d:Gd-Ge-H-K-O +mp-1211685,K4Re2HCl10O,-4.6514681056,-1.5317219103,0.1681592985,0.1681592985,GGA,I4/mmm,A10BC4DE2_tI36_139_em_a_cd_b_e:Cl-H-K-O-Re,18.0,A10BC4DE2_tI36_139_em_a_cd_b_e:Cl-H-K-O-Re +mp-560450,Sb2SNF11,-4.9917341615,-2.2079197672,0.0833646212,0.0833646212,GGA,P2_1/c,A11BCD2_mP60_14_11e_e_e_2e:F-N-S-Sb,60.0,"Invalid WP multiplicities - A11BCD2_mP60_14_41e_e_e_3e:F-N-S-Sb, expected Sb3SNF41 to be Sb2SNF11" +mp-555255,SbSNF5,-5.2102037745,-1.9402861658,0.0992147626,0.0992147626,GGA,P2_1/c,A5BCD_mP128_14_20e_4e_4e_4e:F-N-S-Sb,128.0,"Invalid WP multiplicities - A5BCD_mP128_14_77e_14e_10e_11e:F-N-S-Sb, expected Sb11S10(N2F11)7 to be SbSNF5" +mp-12368,SbS2NF6,-5.05028891,-1.8295619396,0.0943965765,0.0943965765,GGA,C2/m,A6BC2D_mC20_12_ij_a_i_d:F-N-S-Sb,10.0,A6BC2D_mC20_12_ij_a_i_d:F-N-S-Sb +mp-683956,SbSNF6,-5.0566246907,-1.9376447088,0.1377812754,0.1377812754,GGA,Pbca,A6BCD_oP72_61_6c_c_c_c:F-N-S-Sb,72.0,"Invalid WP multiplicities - A6BCD_oP72_61_40c_c_c_c:F-N-S-Sb, expected SbSNF40 to be SbSNF6" +mp-557904,SbSe2S(NF3)2,-5.1023401819,-1.4857453721,0.1300085281,0.1300085281,GGA,P2_1/c,A6B2CDE2_mP96_14_12e_4e_2e_2e_4e:F-N-S-Sb-Se,96.0,"Invalid WP multiplicities - A6B2CDE2_mP96_14_44e_15e_3e_4e_15e:F-N-S-Sb-Se, expected Sb4Se15S3N15F44 to be SbSe2S(NF3)2" +mp-1189378,NiH2(CN2)2,-7.1682786944,-0.016178755,0.2089974256,0.2089974256,GGA,Pnnm,A2B2C4D_oP18_58_g_g_2g_a:C-H-N-Ni,18.0,A2B2C4D_oP18_58_g_g_2g_a:C-H-N-Ni +mp-570535,NiH20(C4N5)2,-6.1557309012,-0.2370403686,0.0817677332,0.0817677332,GGA,P2_1/c,A8B20C10D_mP78_14_4e_10e_5e_a:C-H-N-Ni,78.0,"Invalid WP multiplicities - A8B20C10D_mP78_14_13e_35e_17e_a:C-H-N-Ni, expected NiH70(C13N17)2 to be NiH20(C4N5)2" +mp-1211116,NiH36(C5N)12,-7.1467830038,0.0245577572,0.2106927061,0.2106927061,GGA,P-1,A60B36C12D_aP109_2_30i_18i_6i_a:C-H-N-Ni,109.0,A60B36C12D_aP109_2_30i_18i_6i_a:C-H-N-Ni +mp-1197753,CuNiH16(CN)8,-6.1479009256,-0.1277761194,0.1653879203,0.1653879203,GGA,P-1,A8BC16D8E_aP34_2_4i_b_8i_4i_e:C-Cu-H-N-Ni,34.0,A8BC16D8E_aP34_2_4i_b_8i_4i_e:C-Cu-H-N-Ni +mp-17539,KAsOF4,-5.2089943064,-2.5858340302,0.0,-0.031285153,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:As-F-K-O,28.0,AB4CD_mP28_14_e_4e_e_e:As-F-K-O +mp-1213496,KAsOF5,-4.880120821,-2.3459207084,0.1581779093,0.1581779093,GGA,Pbcn,AB5CD_oP192_60_3d_15d_2c2d_3d:As-F-K-O,192.0,AB5CD_oP192_60_3d_15d_2c2d_3d:As-F-K-O +mp-734367,KAsOF5,-4.8873151325,-2.3531150199,0.1509835979,0.1509835979,GGA,Pnma,AB5CD_oP64_62_2c_4c3d_d_2c:As-F-K-O,64.0,AB5CD_oP64_62_2c_4c3d_d_2c:As-F-K-O +mp-737625,KSbAs(O2F)2,-5.7751576294,-2.0520208103,0.1232314495,0.1232314495,GGA,P2_1/c,AB2CD4E_mP36_14_e_2e_e_4e_e:As-F-K-O-Sb,36.0,AB2CD4E_mP36_14_e_2e_e_4e_e:As-F-K-O-Sb +mp-1189288,KAs(OF2)2,-4.9493339138,-2.0357325832,0.2268721933,0.2268721933,GGA,C2/c,AB4CD2_mC32_15_e_2f_e_f:As-F-K-O,16.0,AB4CD2_mC32_15_e_2f_e_f:As-F-K-O +mp-1223614,KAs(OF2)2,-4.8739858806,-1.9603845501,0.3022202264,0.3022202264,GGA,C2/c,AB4CD2_mC32_15_e_2f_e_f:As-F-K-O,16.0,AB4CD2_mC32_15_e_2f_e_f:As-F-K-O +mp-561145,Sr3CePC3O13,-8.0564840424,-2.8942068164,0.0080618019,0.0080618019,GGA,R3m,A3BC13DE3_hR63_160_b_a_a2bc_a_b:C-Ce-O-P-Sr,21.0,"Invalid WP multiplicities - A3BC13DE3_hR63_160_b_a_a6b3c_a_b:C-Ce-O-P-Sr, expected Sr3CePC3O37 to be Sr3CePC3O13" +mp-1211017,RbGdS2O9,-7.4046804737,-2.1854685931,0.0,-0.0110417195,GGA,P2_1/c,AB9CD2_mP52_14_e_9e_e_2e:Gd-O-Rb-S,52.0,AB9CD2_mP52_14_e_9e_e_2e:Gd-O-Rb-S +mp-24617,RbGdH2S2O9,-7.256979207,-2.2812987712,0.0,-0.0300629243,GGA,P2_1/c,AB2C9DE2_mP60_14_e_2e_9e_e_2e:Gd-H-O-Rb-S,60.0,"Invalid WP multiplicities - AB2C9DE2_mP60_14_e_2e_12e_e_2e:Gd-H-O-Rb-S, expected RbGdH2(SO6)2 to be RbGdH2S2O9" +mp-1234865,MgTl6C2(O3F)2,-5.5306842224,-1.546180686,0.1859259667,0.1859259667,GGA,P1,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Mg-O-Tl,17.0,A2B2CD6E6_aP17_1_2a_2a_a_6a_6a:C-F-Mg-O-Tl +mp-14354,Rb2SrP2O7,-7.0086794854,-2.9166805195,0.0,-0.0419176905,GGA,C2/c,A7B2C2D_mC48_15_e3f_f_f_c:O-P-Rb-Sr,24.0,A7B2C2D_mC48_15_e3f_f_f_c:O-P-Rb-Sr +mp-734123,RbSrP3(HO2)6,-6.5415204891,-2.2534093652,0.0269457309,0.0269457309,GGA,Pnma,A6B12C3DE_oP92_62_3d_4c4d_cd_c_c:H-O-P-Rb-Sr,92.0,A6B12C3DE_oP92_62_3d_4c4d_cd_c_c:H-O-P-Rb-Sr +mp-1209338,Rb2Sr(PO3)4,-7.2925360347,-2.8365341316,0.0,-0.007496803,GGA,I-4,A12B4C2D_tI38_82_3g_g_f_a:O-P-Rb-Sr,19.0,A12B4C2D_tI38_82_3g_g_f_a:O-P-Rb-Sr +mp-24075,Ho(HO)3,-6.4767110936,-2.2480463595,0.0249957089,0.0249957089,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:H-Ho-O,14.0,A3BC3_hP14_176_h_c_h:H-Ho-O +mp-1201273,HoHSO5,-7.1513222834,-2.5456937412,0.0082012506,0.0082012506,GGA,P2_1/c,ABC5D_mP64_14_2e_2e_10e_2e:H-Ho-O-S,64.0,ABC5D_mP64_14_2e_2e_10e_2e:H-Ho-O-S +mp-761809,RbHoHS2O9,-6.6543123421,-2.2436861191,0.0809496314,0.0809496314,GGA,P2_1/c,ABC9DE2_mP56_14_e_e_9e_e_2e:H-Ho-O-Rb-S,56.0,"Invalid WP multiplicities - ABC9DE2_mP56_14_e_e_31e_e_3e:H-Ho-O-Rb-S, expected RbHoHS3O31 to be RbHoHS2O9" +mp-626173,HoHO2,-7.4834111887,-3.0162831044,0.0,-0.0139934348,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:H-Ho-O,8.0,ABC2_mP8_11_e_e_2e:H-Ho-O +mp-755543,HoHO2,-7.4612639387,-2.9941358544,0.02214725,0.0081538152,GGA,Pmn2_1,ABC2_oP8_31_a_a_2a:H-Ho-O,8.0,"Invalid WP multiplicities - ABC2_oP8_31_a_a_4a:H-Ho-O, expected HoHO4 to be HoHO2" +mp-754283,HoHO2,-7.4660317537,-2.9989036694,0.017379435,0.0033860002,GGA,Pnma,ABC2_oP16_62_c_c_2c:H-Ho-O,16.0,"Invalid WP multiplicities - ABC2_oP16_62_c_c_5c:H-Ho-O, expected HoHO5 to be HoHO2" +mp-755716,HoHO2,-7.3975872037,-2.9304591194,0.085823985,0.0718305502,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:H-Ho-O,8.0,ABC2_hP8_194_c_a_f:H-Ho-O +mp-733988,RbHoS2O9,-6.7041790373,-2.2152528006,0.1402717745,0.1402717745,GGA,P2_1/c,AB9CD2_mP52_14_e_9e_e_2e:Ho-O-Rb-S,52.0,AB9CD2_mP52_14_e_9e_e_2e:Ho-O-Rb-S +mp-1202923,Ho2H16S3O20,-6.1054847818,-1.8422760432,0.0150771718,0.0150771718,GGA,C2/c,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Ho-O-S,82.0,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Ho-O-S +mp-707231,As2PHO6,-6.664020269,-1.8835805061,0.0420693825,0.0420693825,GGA,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:As-H-O-P,40.0,A2BC6D_mP40_14_2e_e_6e_e:As-H-O-P +mp-1221862,Na4AsP(H15O11)2,-5.3931862649,-1.4971266945,0.0163666273,0.0163666273,GGA,Pc,AB30C4D22E_mP116_7_a_30a_4a_22a_a:As-H-Na-O-P,116.0,AB30C4D22E_mP116_7_a_30a_4a_22a_a:As-H-Na-O-P +mp-1221674,Na2AsP(H4O5)2,-5.7877266355,-1.7274463186,0.0120674574,0.0120674574,GGA,P2_1,AB8C2D10E_mP44_4_a_8a_2a_10a_a:As-H-Na-O-P,44.0,AB8C2D10E_mP44_4_a_8a_2a_10a_a:As-H-Na-O-P +mp-1220201,NdWNO3,-9.1366283075,-2.3194885206,0.2442734246,0.2442734246,GGA+U,P1,ABC3D_aP12_1_2a_2a_6a_2a:N-Nd-O-W,12.0,ABC3D_aP12_1_2a_2a_6a_2a:N-Nd-O-W +mp-667380,Rb3Nd2(NO3)9,-6.8632044102,-1.4713276636,0.0,-0.0298855227,GGA,P4_332,A9B2C27D3_cP164_212_de_c_d4e_d:N-Nd-O-Rb,164.0,"Invalid WP multiplicities - A9B2C27D3_cP164_212_11d11e_c_11d80e_d:N-Nd-O-Rb, expected Rb3Nd2(N11O57)9 to be Rb3Nd2(NO3)9" +mp-1201325,Rb5Nd2N11O34,-6.6693131842,-1.3937780768,0.0398097506,0.0398097506,GGA,C2/c,A11B2C34D5_mC208_15_e5f_f_2e16f_e2f:N-Nd-O-Rb,104.0,A11B2C34D5_mC208_15_e5f_f_2e16f_e2f:N-Nd-O-Rb +mp-1210361,Rb5Nd2W(NO3)11,-6.7094708203,-1.2798695298,0.2512364002,0.2512364002,GGA+U,C2/c,A11B2C33D5E_mC208_15_e5f_f_e16f_e2f_e:N-Nd-O-Rb-W,104.0,A11B2C33D5E_mC208_15_e5f_f_e16f_e2f_e:N-Nd-O-Rb-W +mp-1106114,Rb3NdN6,-4.4938689745,1.2790029455,1.8608615883,1.8608615883,GGA,R32,A6BC3_hR60_155_2f_c_de:N-Nd-Rb,20.0,A6BC3_hR60_155_2f_c_de:N-Nd-Rb +mp-1212431,K3Al3Si3(WO3)4,-7.369262755,-1.6877962,0.9916204815,0.9916204815,GGA+U,P1,A3B3C12D3E4_aP50_1_6a_6a_24a_6a_8a:Al-K-O-Si-W,50.0,A3B3C12D3E4_aP50_1_6a_6a_24a_6a_8a:Al-K-O-Si-W +mp-694946,CsCoW(OF)3,-6.9873304472,-2.3721800657,0.0498849944,0.0498849944,GGA+U,C2/c,ABC3D3E_mC36_15_c_e_ef_ef_a:Co-Cs-F-O-W,18.0,"Invalid WP multiplicities - ABC3D3E_mC36_15_c_e_2e3f_e2f_a:Co-Cs-F-O-W, expected CsCoWO5F8 to be CsCoW(OF)3" +mp-1226138,Cs2W(OF2)2,-6.2805290556,-2.692948137,0.0,-0.0151457623,GGA+U,C2/m,A2B4C2D_mC18_12_i_j_i_a:Cs-F-O-W,9.0,A2B4C2D_mC18_12_i_j_i_a:Cs-F-O-W +mp-561687,CsWF7,-5.9526878361,-2.9267005723,0.0,-0.10835792,GGA+U,Pa-3,AB7C_cP72_205_ab_c2d_c:Cs-F-W,72.0,AB7C_cP72_205_ab_c2d_c:Cs-F-W +mp-551092,KLiZnO2,-4.648744361,-1.8142557918,0.0,-0.024571383,GGA,C2/m,ABC2D_mC20_12_i_i_2i_i:K-Li-O-Zn,10.0,ABC2D_mC20_12_i_i_2i_i:K-Li-O-Zn +mp-1223686,KLiZnP2O7,-6.7589268763,-2.6145525916,0.0013127435,-0.0064615033,GGA,Pc,ABC7D2E_mP48_7_2a_2a_14a_4a_2a:K-Li-O-P-Zn,48.0,ABC7D2E_mP48_7_2a_2a_14a_4a_2a:K-Li-O-P-Zn +mp-554164,KLiZnP2O7,-6.7602396198,-2.6158653351,0.0,-0.0077742468,GGA,Pmc2_1,ABC7D2E_oP48_26_ab_c_ab6c_2c_c:K-Li-O-P-Zn,48.0,"Invalid WP multiplicities - ABC7D2E_oP48_26_2ab_c_2a2b21c_2c_c:K-Li-O-P-Zn, expected K3Li2Zn2(P2O23)2 to be KLiZnP2O7" +mp-1223469,KLiZn3O4,-4.7699403478,-1.8160172935,0.0,-0.0118595161,GGA,Cm,ABC4D3_mC18_8_a_a_4a_3a:K-Li-O-Zn,9.0,ABC4D3_mC18_8_a_a_4a_3a:K-Li-O-Zn +mp-631413,Re2PCl,-7.086781365,0.9509420192,1.533470383,1.533470383,GGA,F-43m,ABC2_cF16_216_a_c_bd:Cl-P-Re,4.0,ABC2_cF16_216_a_c_bd:Cl-P-Re +mp-572794,ReP(Cl2O)3,-5.5334671209,-1.5526384131,0.0,-0.0125210066,GGA,P2_1/c,A6B3CD_mP44_14_6e_3e_e_e:Cl-O-P-Re,44.0,"Invalid WP multiplicities - A6B3CD_mP44_14_21e_7e_e_e:Cl-O-P-Re, expected ReP(Cl3O)7 to be ReP(Cl2O)3" +mp-554317,RePCl8O,-4.7375463252,-1.3200179904,0.0,-0.0106857892,GGA,Pnma,A8BCD_oP44_62_4c2d_c_c_c:Cl-O-P-Re,44.0,"Invalid WP multiplicities - A8BCD_oP44_62_16c9d_c_c_c:Cl-O-P-Re, expected RePCl34O to be RePCl8O" +mp-559917,P2NCl5O,-5.0005102858,-1.2946800692,0.0180451732,0.0180451732,GGA,P2_1/c,A5BCD2_mP144_14_20e_4e_4e_8e:Cl-N-O-P,144.0,"Invalid WP multiplicities - A5BCD2_mP144_14_78e_14e_13e_29e:Cl-N-O-P, expected P29N14(Cl6O)13 to be P2NCl5O" +mp-1205173,Re2P3N2(Cl5O)3,-5.327000614,-1.312197903,0.0031269382,0.0031269382,GGA,P-1,A15B2C3D3E2_aP100_2_30i_4i_6i_6i_4i:Cl-N-O-P-Re,100.0,A15B2C3D3E2_aP100_2_30i_4i_6i_6i_4i:Cl-N-O-P-Re +mp-1212728,P6N7ClO19,-6.6474875167,-0.9907935261,0.6962687046,0.6962687046,GGA,P-1,AB7C19D6_aP66_2_i_bd6i_19i_6i:Cl-N-O-P,66.0,AB7C19D6_aP66_2_i_bd6i_19i_6i:Cl-N-O-P +mp-29592,RePCl9,-4.255945985,-1.1200678367,0.0173714883,0.0173714883,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-P-Re,22.0,A9BC_aP22_2_9i_i_i:Cl-P-Re +mp-29593,Re2(PCl8)3,-4.0822636508,-1.1342001428,0.0,-0.0292436938,GGA,P4_2/mbc,A24B3C2_tP116_135_4h4i_bg_h:Cl-P-Re,116.0,A24B3C2_tP116_135_4h4i_bg_h:Cl-P-Re +mp-680008,P6N6Cl10O,-5.6299083468,-1.0242196555,0.0116213086,0.0116213086,GGA,P2_1/c,A10B6CD6_mP92_14_10e_6e_e_6e:Cl-N-O-P,92.0,"Invalid WP multiplicities - A10B6CD6_mP92_14_35e_22e_e_23e:Cl-N-O-P, expected P23N22Cl35O to be P6N6Cl10O" +mp-1210306,P5N6(Cl4O)2,-5.7020061524,-0.8559512578,0.2319695107,0.2319695107,GGA,P-1,A8B6C2D5_aP42_2_8i_6i_2i_5i:Cl-N-O-P,42.0,A8B6C2D5_aP42_2_8i_6i_2i_5i:Cl-N-O-P +mp-29878,Re2PCl13,-4.5351865422,-1.1393532011,0.0,-0.0159743959,GGA,P2_1/m,A13BC2_mP32_11_5e4f_e_2e:Cl-P-Re,32.0,"Invalid WP multiplicities - A13BC2_mP32_11_5e5f_e_2e:Cl-P-Re, expected Re2PCl15 to be Re2PCl13" +mp-9499,Sm2C(NO)2,-8.8800226586,-2.4182790821,0.0,-0.0772057913,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Sm,7.0,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Sm +mp-1190849,Sm2Co17N3,-7.2485104968,-0.189962335,0.1185328691,0.1185328691,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Co-N-Sm,22.0,A17B3C2_hR66_166_cdfh_e_c:Co-N-Sm +mp-1219357,Sm2Co17N2,-7.1460366743,-0.1483431202,0.167283594,0.167283594,GGA,C2/m,A17B2C2_mC42_12_afh2i2j_e_i:Co-N-Sm,21.0,"Invalid WP multiplicities - A17B2C2_mC42_12_ae2h3i3j_f_i:Co-N-Sm, expected Sm2Co25N2 to be Sm2Co17N2" +mp-1208956,SmCoC6N6O5,-7.1652106992,0.3059108793,1.3311344008,1.3311344008,GGA+U,P6_3/m,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Sm,38.0,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Sm +mp-622197,Cs2PtS6(O3F)6,-5.9575531124,-1.9214952981,0.0,-0.030234366,GGA,P321,A2B6C18DE6_hP33_150_d_g_3g_a_g:Cs-F-O-Pt-S,33.0,"Invalid WP multiplicities - A2B6C18DE6_hP33_150_d_g_16g_a_g:Cs-F-O-Pt-S, expected Cs2PtS6(O16F)6 to be Cs2PtS6(O3F)6" +mp-1211061,Na4HfC8O19,-7.3442830964,-1.6235424821,0.4449850451,0.4449850451,GGA,C222_1,A8BC4D19_oC128_20_4c_a_abc_a9c:C-Hf-Na-O,64.0,A8BC4D19_oC128_20_4c_a_abc_a9c:C-Hf-Na-O +mp-767535,NaHfPCO7,-8.2931021468,-2.7886927558,0.0502606167,0.0502606167,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Hf-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Hf-Na-O-P, expected NaHfPCO13 to be NaHfPCO7" +mp-1212848,Na3InH3(SO4)3,-5.4869295079,-1.4566089678,0.4472086323,0.4472086323,GGA,P-3,A3BC3D12E3_hP132_147_3g_ab2d_3g_12g_3g:H-In-Na-O-S,132.0,A3BC3D12E3_hP132_147_3g_ab2d_3g_12g_3g:H-In-Na-O-S +mp-1233620,MgZr2H10(S3O14)2,-6.5089768685,-1.9143188924,0.0781277039,0.0781277039,GGA,P1,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr,47.0,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr +mp-1234462,MgZr2H10(S3O14)2,-6.5479268436,-1.9532688675,0.0391777288,0.0391777288,GGA,P1,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr,47.0,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr +mp-1234830,MgZr2H10(S3O14)2,-6.5466460623,-1.9519880862,0.0404585101,0.0404585101,GGA,P1,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr,47.0,A10BC28D6E2_aP47_1_10a_a_28a_6a_2a:H-Mg-O-S-Zr +mp-1203733,ZrH5S3O14,-6.4826494985,-1.8228963501,0.0313475849,0.0313475849,GGA,P-1,A5B14C3D_aP46_2_5i_14i_3i_i:H-O-S-Zr,46.0,A5B14C3D_aP46_2_5i_14i_3i_i:H-O-S-Zr +mp-2713981,MgZr(SO4)3,-7.2409239566,-2.4222419086,0.0,-0.048854417,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Mg-O-S-Zr,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Mg-O-S-Zr, expected MgZr(SO12)3 to be MgZr(SO4)3" +mp-510638,MnGaH4O2F5,-5.6621965488,-2.1843667216,0.0,-0.0062824962,GGA+U,Imma,A5BC4DE2_oI52_74_ej_c_j_a_h:F-Ga-H-Mn-O,26.0,A5BC4DE2_oI52_74_ej_c_j_a_h:F-Ga-H-Mn-O +mp-567899,RbSi2H18C6N,-5.1608452641,-0.2819621633,0.0278755135,0.0278755135,GGA,P2_1/c,A6B18CDE2_mP112_14_6e_18e_e_e_2e:C-H-N-Rb-Si,112.0,"Invalid WP multiplicities - A6B18CDE2_mP112_14_21e_70e_e_e_5e:C-H-N-Rb-Si, expected RbSi5H70C21N to be RbSi2H18C6N" +mp-775752,Li6VSn3(PO4)6,-7.1080009935,-2.5138384199,0.0841568522,0.0841568522,GGA+U,P1,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Sn-V,40.0,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-Sn-V +mp-756985,Li2VSn(PO4)2,-7.3029881038,-2.4950282208,0.0719034107,0.0719034107,GGA+U,P2_1/m,A2B8C2DE_mP28_11_ad_4e2f_2e_e_e:Li-O-P-Sn-V,56.0,A2B8C2DE_mP28_11_ab_4e2f_2e_e_e:Li-O-P-Sn-V +mp-768559,Li2V2Sn(PO4)3,-7.6246058455,-2.5448357563,0.0635710244,0.0635710244,GGA+U,C2,A2B12C3DE2_mC80_5_abc_12c_ab2c_c_2c:Li-O-P-Sn-V,40.0,"Invalid WP multiplicities - A2B12C3DE2_mC80_5_abc_22c_ab2c_c_2c:Li-O-P-Sn-V, expected Li2V2SnP3O22 to be Li2V2Sn(PO4)3" +mp-770969,LiVSn3(PO4)6,-7.4771111686,-2.4993429225,0.0243478872,0.0243478872,GGA+U,R3,AB24C6D3E_hR105_146_a_8b_2b_3a_a:Li-O-P-Sn-V,35.0,"Invalid WP multiplicities - AB24C6D3E_hR105_146_a_20b_2b_3a_a:Li-O-P-Sn-V, expected LiVSn3(PO10)6 to be LiVSn3(PO4)6" +mp-1193122,Li3V(H6O5)2,-5.6878982508,-1.6498107768,0.0080362813,0.0080362813,GGA+U,R3,A12B3C10D_hR78_146_4b_b_a3b_a:H-Li-O-V,26.0,A12B3C10D_hR78_146_4b_b_a3b_a:H-Li-O-V +mp-1203476,Na2LiV5H18O23,-6.3432847569,-1.7551946963,0.0157393682,0.0157393682,GGA+U,P-1,A18BC2D23E5_aP98_2_18i_i_2i_23i_5i:H-Li-Na-O-V,98.0,A18BC2D23E5_aP98_2_18i_i_2i_23i_5i:H-Li-Na-O-V +mp-1201415,Li3V(H4O3)4,-5.5957708887,-1.5815660161,0.0058198475,0.0058198475,GGA+U,P1,A16B3C12D_aP32_1_16a_3a_12a_a:H-Li-O-V,32.0,A16B3C12D_aP32_1_16a_3a_12a_a:H-Li-O-V +mp-1198234,Li3V(H4O3)4,-5.5916211511,-1.5774162784,0.0099695852,0.0099695852,GGA+U,Pc,A16B3C12D_mP64_7_16a_3a_12a_a:H-Li-O-V,64.0,A16B3C12D_mP64_7_16a_3a_12a_a:H-Li-O-V +mp-1204473,Li3V5(H8O11)2,-6.443048714,-1.785286381,0.0238044307,0.0238044307,GGA+U,Pnnm,A16B3C22D5_oP184_58_2g7h_3g_e7g7h_f2gh:H-Li-O-V,184.0,A16B3C22D5_oP184_58_2g7h_3g_e7g7h_f2gh:H-Li-O-V +mp-1214445,BaNaY2(PO4)2,-7.4475607771,-2.6922352655,0.5467199029,0.5467199029,GGA,P-3m1,ABC8D2E2_hP14_164_a_b_di_d_d:Ba-Na-O-P-Y,14.0,ABC8D2E2_hP14_164_a_b_di_d_d:Ba-Na-O-P-Y +mp-863731,InH4NCl4,-4.3022580535,-1.096935106,0.0,-0.0626632095,GGA,I4_1/a,A4B4CD_tI40_88_f_f_a_b:Cl-H-In-N,20.0,A4B4CD_tI40_88_f_f_a_b:Cl-H-In-N +mp-759242,InH10N2Cl5O,-4.5647067679,-1.0099011868,0.0107226199,0.0107226199,GGA,Pnma,A5B10CD2E_oP76_62_3cd_5d_c_d_c:Cl-H-In-N-O,76.0,"Invalid WP multiplicities - A5B10CD2E_oP76_62_9c4d_17d_c_d_c:Cl-H-In-N-O, expected InH34N2Cl17O to be InH10N2Cl5O" +mp-849391,InH9(NCl)3,-4.7989230525,-0.8088409969,0.0,-0.0577704673,GGA,P-1,A3B9CD3_aP32_2_3i_9i_be_3i:Cl-H-In-N,32.0,"Invalid WP multiplicities - A3B9CD3_aP32_2_5i_17i_be_5i:Cl-H-In-N, expected InH17(NCl)5 to be InH9(NCl)3" +mp-1214189,Be3Si3C4SO12,-6.8622609961,-1.301149298,1.1540943592,1.1540943592,GGA,P-43n,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-C-O-S-Si,46.0,A3B4C12DE3_cP46_218_c_e_i_a_d:Be-C-O-S-Si +mp-1182046,Eu5Si3H,-8.4023234606,-0.5185802233,0.0129246194,0.0129246194,GGA,I4/mcm,A5BC3_tI36_140_cl_b_ah:Eu-H-Si,18.0,A5BC3_tI36_140_cl_b_ah:Eu-H-Si +mp-758551,K3EuSi3(HO5)2,-7.2556206897,-2.7231737459,0.0,-0.0149823455,GGA,Pnma,AB2C3D10E3_oP76_62_c_d_cd_2c4d_cd:Eu-H-K-O-Si,76.0,"Invalid WP multiplicities - AB2C3D10E3_oP76_62_c_d_3c2d_8c13d_2c3d:Eu-H-K-O-Si, expected K7EuSi8(HO17)2 to be K3EuSi3(HO5)2" +mp-1233333,CaVFe(P2O7)2,-7.9696391162,-2.7093353474,0.0126918027,0.0126918027,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V +mp-1233464,CaVFe(P2O7)2,-7.8633681914,-2.6030644227,0.1189627275,0.1189627275,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V +mp-1233631,CaVFe(P2O7)2,-7.9688959124,-2.7085921436,0.0134350065,0.0134350065,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V +mp-1233809,CaVFe(P2O7)2,-7.9588506405,-2.6985468717,0.0234802784,0.0234802784,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V +mp-1233846,CaVFe(P2O7)2,-7.9600479362,-2.6997441674,0.0222829827,0.0222829827,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Ca-Fe-O-P-V +mp-1203440,LiZnSO4F,-5.8274447641,-2.2020259946,0.0,-0.0033685909,GGA,Pnma,ABC4DE_oP32_62_c_a_2cd_c_c:F-Li-O-S-Zn,32.0,ABC4DE_oP32_62_c_a_2cd_c_c:F-Li-O-S-Zn +mp-722278,BaSiP4(HO7)2,-7.4513672591,-2.6769764844,0.0,-0.0066588259,GGA,P-1,AB2C14D4E_aP22_2_a_i_7i_2i_b:Ba-H-O-P-Si,22.0,AB2C14D4E_aP22_2_a_i_7i_2i_b:Ba-H-O-P-Si +mp-1202714,SiPHO5,-7.4293510581,-2.5587522909,0.0493862452,0.0493862452,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:H-O-P-Si,32.0,AB5CD_mP32_14_e_5e_e_e:H-O-P-Si +mp-29549,Si(PH2)4,-4.3139604871,-0.1431653781,0.0,-0.0442833604,GGA,P2_1/c,A8B4C_mP52_14_8e_4e_e:H-P-Si,52.0,A8B4C_mP52_14_8e_4e_e:H-P-Si +mp-27887,Ba3(Si2P3)2,-5.2675927808,-0.6569764746,0.0,-0.0904776818,GGA,P2_1/m,A3B6C4_mP26_11_3e_2e2f_2ef:Ba-P-Si,26.0,"Invalid WP multiplicities - A3B6C4_mP26_11_3e_2e3f_4ef:Ba-P-Si, expected Ba3(Si3P4)2 to be Ba3(Si2P3)2" +mp-28842,Si3PH9,-4.1526007452,-0.1353860528,0.0,-0.0018648634,GGA,P2_1/c,A9BC3_mP52_14_9e_e_3e:H-P-Si,52.0,A9BC3_mP52_14_9e_e_3e:H-P-Si +mp-14214,Ba4SiP4,-4.8324359769,-0.9708328862,0.0,-0.0857919081,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Ba-P-Si,72.0,"Invalid WP multiplicities - A4B4C_cP72_218_ei_e2i_a2c:Ba-P-Si, expected Ba16(SiP4)7 to be Ba4SiP4" +mp-560988,V3SiP5O19,-8.2218959078,-2.7315161118,0.0088101163,0.0088101163,GGA+U,P6_3,A19B5CD3_hP112_173_ab12c_a3c_2b_2c:O-P-Si-V,112.0,"Invalid WP multiplicities - A19B5CD3_hP112_173_2a2b67c_a12c_4b_5c:O-P-Si-V, expected V15Si4P37O205 to be V3SiP5O19" +mp-18882,VSiP2O9,-8.1220462504,-2.7485056723,0.0273085485,0.0273085485,GGA+U,P4/ncc,A9B2CD_tP52_130_c2g_f_b_c:O-P-Si-V,52.0,A9B2CD_tP52_130_c2g_f_b_c:O-P-Si-V +mp-777857,Li4V2Si(PO6)2,-7.5323084742,-2.7029898463,0.0817485944,0.0817485944,GGA+U,P1,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V,84.0,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V +mp-1177285,Li4V2Si(PO6)2,-7.5314315899,-2.702112962,0.0826254787,0.0826254787,GGA+U,P1,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V,84.0,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V +mp-1255615,Li4V2Si(PO6)2,-7.5310884844,-2.7017698565,0.0829685841,0.0829685841,GGA+U,P1,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V,84.0,A4B12C2DE2_aP84_1_16a_48a_8a_4a_8a:Li-O-P-Si-V +mp-770404,Li4V2Si(PO6)2,-7.5299163969,-2.700597769,0.0841406716,0.0841406716,GGA+U,C2,A4B12C2DE2_mC84_5_ab3c_12c_abc_c_2c:Li-O-P-Si-V,42.0,"Invalid WP multiplicities - A4B12C2DE2_mC84_5_ab6c_24c_ab2c_c_4c:Li-O-P-Si-V, expected Li7V4Si(PO8)3 to be Li4V2Si(PO6)2" +mp-1177241,Li4V2Si(PO6)2,-7.5318470319,-2.702528404,0.0822100366,0.0822100366,GGA+U,C2,A4B12C2DE2_mC168_5_ab7c_24c_4c_abc_4c:Li-O-P-Si-V,84.0,"Invalid WP multiplicities - A4B12C2DE2_mC168_5_ab13c_47c_8c_ab2c_5c:Li-O-P-Si-V, expected Li14V5Si3P8O47 to be Li4V2Si(PO6)2" +mp-770503,Li4V2Si(PO6)2,-7.5306049671,-2.7012863393,0.0834521014,0.0834521014,GGA+U,Pc,A4B12C2DE2_mP84_7_8a_24a_4a_2a_4a:Li-O-P-Si-V,84.0,"Invalid WP multiplicities - A4B12C2DE2_mP84_7_16a_47a_6a_3a_7a:Li-O-P-Si-V, expected Li16V7Si3P6O47 to be Li4V2Si(PO6)2" +mp-770190,Li4V2Si(PO6)2,-7.5323906231,-2.7030719952,0.0816664454,0.0816664454,GGA+U,Cc,A4B12C2DE2_mC84_9_4a_12a_2a_a_2a:Li-O-P-Si-V,42.0,"Invalid WP multiplicities - A4B12C2DE2_mC84_9_6a_22a_4a_a_2a:Li-O-P-Si-V, expected Li6V2Si(P2O11)2 to be Li4V2Si(PO6)2" +mp-1255288,Li4V2Si(PO6)2,-7.5431638162,-2.7138451883,0.0708932523,0.0708932523,GGA+U,Cc,A4B12C2DE2_mC84_9_4a_12a_2a_a_2a:Li-O-P-Si-V,42.0,"Invalid WP multiplicities - A4B12C2DE2_mC84_9_6a_22a_4a_a_2a:Li-O-P-Si-V, expected Li6V2Si(P2O11)2 to be Li4V2Si(PO6)2" +mp-772044,NaVSiCO7,-7.7940619377,-2.3679495864,0.0881303064,0.0881303064,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-Si-V,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-Si-V, expected NaVSiCO13 to be NaVSiCO7" +mp-1216452,V6SiC,-8.6869589088,-0.0422814159,0.3569095659,0.3569095659,GGA,Pm-3,ABC6_cP8_200_a_b_f:C-Si-V,8.0,ABC6_cP8_200_a_b_f:C-Si-V +mp-770947,Na3VSiCO7,-7.2496187706,-2.4548275051,0.0,-0.0001797714,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-Si-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-Si-V +mp-772154,Na2VSiCO7,-7.5433117271,-2.4591649639,0.0164668773,0.0164668773,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-Si-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-Si-V +mp-1078535,Na2TcF6,-5.4185279367,-2.6991320103,0.0,-0.1015241063,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-Na-Tc,9.0,A6B2C_hP9_164_i_d_a:F-Na-Tc +mp-1203881,NaTc2N5OF12,-5.0665219412,-0.7041069826,1.0825175875,1.0825175875,GGA,Pbam,A12B5CDE2_oP42_55_gh2i_agh_c_b_h:F-N-Na-O-Tc,42.0,A12B5CDE2_oP42_55_gh2i_agh_c_b_h:F-N-Na-O-Tc +mp-1080687,Tc(NF3)2,-4.9083566644,-0.63030082,1.1599265289,1.1599265289,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-N-Tc,9.0,A6B2C_hP9_164_i_d_a:F-N-Tc +mp-977176,NaTcO3,-7.281313588,-1.9766675136,0.0,-0.2512139864,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Na-O-Tc,5.0,AB3C_cP5_221_a_c_b:Na-O-Tc +mp-24135,AlH18Ru(NF)6,-5.4269749127,-1.1901970834,0.0174884836,0.0174884836,GGA,Pa-3,AB6C18D6E_cP128_205_a_d_3d_d_b:Al-F-H-N-Ru,128.0,"Invalid WP multiplicities - AB6C18D6E_cP128_205_a_d_6d_d_b:Al-F-H-N-Ru, expected AlH36Ru(NF)6 to be AlH18Ru(NF)6" +mp-556215,K9Li3I2O13,-4.680110913,-1.6069981326,0.0531066578,0.0531066578,GGA,P-62c,A2B9C3D13_hP54_190_f_g2h_g_b2i:I-K-Li-O,54.0,"Invalid WP multiplicities - A2B9C3D13_hP54_190_f_5g8h_g_2b13i:I-K-Li-O, expected K39Li3(IO40)2 to be K9Li3I2O13" +mp-1232348,K2Li2Cu(IO)2,-3.7602761889,-1.2071694756,0.4828327085,0.4828327085,GGA,I4/mmm,AB2C2D2E2_tI18_139_a_e_e_d_c:Cu-I-K-Li-O,9.0,AB2C2D2E2_tI18_139_a_e_e_d_c:Cu-I-K-Li-O +mp-1181849,K4Cu(IO10)2,-4.7592457567,-0.6695676314,0.20391586,0.20391586,GGA,P2_1/c,AB2C4D20_mP54_14_a_e_2e_10e:Cu-I-K-O,54.0,AB2C4D20_mP54_14_a_e_2e_10e:Cu-I-K-O +mp-1198851,K4Cu(IO10)2,-4.5879115678,-0.4982334425,0.3752500489,0.3752500489,GGA,P2_1/c,AB2C4D20_mP54_14_a_e_2e_10e:Cu-I-K-O,54.0,AB2C4D20_mP54_14_a_e_2e_10e:Cu-I-K-O +mp-1147553,KCuIO6,-5.0698140133,-1.0294690984,0.0,-0.0115616496,GGA,P312,ABCD6_hP9_149_a_c_f_l:Cu-I-K-O,9.0,ABCD6_hP9_149_a_c_f_l:Cu-I-K-O +mp-558483,K4LiIO6,-4.7860586204,-1.6607238477,0.0,-0.0748337646,GGA,Pbca,AB4CD6_oP96_61_c_4c_c_6c:I-K-Li-O,96.0,"Invalid WP multiplicities - AB4CD6_oP96_61_c_22c_c_39c:I-K-Li-O, expected K22LiIO39 to be K4LiIO6" +mp-1147602,K2CuI2O,-3.1510698833,-0.7821655541,0.6695100167,0.6695100167,GGA,P4/mmm,AB2C2D_tP6_123_a_f_e_b:Cu-I-K-O,6.0,AB2C2D_tP6_123_a_f_e_b:Cu-I-K-O +mp-1196787,TcP2H18(C3Br)2,-5.1475597522,-0.2946507045,0.0239327632,0.0239327632,GGA,C2/c,A2B6C18D2E_mC232_15_2f_6f_18f_2f_2e:Br-C-H-P-Tc,116.0,A2B6C18D2E_mC232_15_2f_6f_18f_2f_2e:Br-C-H-P-Tc +mp-1198414,TcP4H36(C6Br)2,-5.1161339173,-0.2433697507,0.0400026493,0.0400026493,GGA,I-42m,A2B12C36D4E_tI110_121_e_ij_i4j_i_a:Br-C-H-P-Tc,55.0,A2B12C36D4E_tI110_121_e_ij_i4j_i_a:Br-C-H-P-Tc +mp-2217781,MgSbS2NF6,-5.1210836127,-2.0476699988,0.3050785701,0.3050785701,GGA,C2,A6BCD2E_mC22_5_3c_a_a_c_b:F-Mg-N-S-Sb,11.0,A6BCD2E_mC22_5_3c_a_a_c_b:F-Mg-N-S-Sb +mp-2217837,MgSbS2NF6,-5.0142790918,-1.9408654778,0.411883091,0.411883091,GGA,C2/m,A6BCD2E_mC22_12_ij_a_c_i_b:F-Mg-N-S-Sb,11.0,A6BCD2E_mC22_12_ij_b_c_i_a:F-Mg-N-S-Sb +mp-1516392,KLaYSbO6,-7.512644381,-2.8804433137,0.1148899238,0.1148899238,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-Sb-Y +mp-608162,K2CuPb(NO2)6,-6.3842604532,-0.956447466,0.1558419276,0.1558419276,GGA,F23,AB2C6D12E_cF88_196_a_cd_f_h_b:Cu-K-N-O-Pb,22.0,AB2C6D12E_cF88_196_a_cd_f_h_b:Cu-K-N-O-Pb +mp-19863,K2CuPb(NO2)6,-6.4132654827,-0.9854524955,0.1268368981,0.1268368981,GGA,Fm-3,AB2C6D12E_cF88_202_a_c_e_h_b:Cu-K-N-O-Pb,22.0,AB2C6D12E_cF88_202_a_c_e_h_b:Cu-K-N-O-Pb +mp-567218,KAuN12,-7.2889178979,0.1698121055,0.2891949782,0.2891949782,GGA,C2/c,ABC12_mC56_15_e_e_6f:Au-K-N,28.0,"Invalid WP multiplicities - ABC12_mC56_15_e_e_21f:Au-K-N, expected KAuN42 to be KAuN12" +mp-672348,KAu(CN)2,-6.7974073361,-0.2116403724,0.1172998001,0.1172998001,GGA,R-3,AB2CD2_hR54_148_d_f_ac_f:Au-C-K-N,18.0,AB2CD2_hR54_148_d_f_ac_f:Au-C-K-N +mp-1181708,KAu(CN)2,-6.2069528444,0.3788141192,0.7077542918,0.7077542918,GGA,R-3,AB2CD2_hR54_148_d_f_ac_f:Au-C-K-N,18.0,AB2CD2_hR54_148_d_f_ac_f:Au-C-K-N +mp-1211770,KCdAu3(CN)6,-6.8593939318,0.0374235513,0.2046450235,0.2046450235,GGA,P312,A3B6CDE6_hP17_149_k_l_a_c_l:Au-C-Cd-K-N,17.0,A3B6CDE6_hP17_149_k_l_a_c_l:Au-C-Cd-K-N +mp-1194694,Mn2CuH16(C2N11)2,-6.6886055073,-0.0880631897,0.1961395505,0.1961395505,GGA,C2/m,A4BC16D2E22_mC90_12_j_a_4j_h_fg3i3j:C-Cu-H-Mn-N,45.0,A4BC16D2E22_mC90_12_j_a_4j_h_eg3i3j:C-Cu-H-Mn-N +mp-706447,La2Mg3H48(NO5)12,-5.9336859946,-1.3387822642,0.0030062318,0.0030062318,GGA,R-3,A48B2C3D12E60_hR375_148_8f_c_ac_2f_10f:H-La-Mg-N-O,125.0,A48B2C3D12E60_hR375_148_8f_c_ac_2f_10f:H-La-Mg-N-O +mp-17187,K3Nd(PO4)2,-7.1518510418,-2.9733182577,0.0,-0.0422498857,GGA,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-Nd-O-P,28.0,"Invalid WP multiplicities - A3BC8D2_mP28_11_6e_e_4e2f_2e:K-Nd-O-P, expected K6Nd(PO4)2 to be K3Nd(PO4)2" +mp-686607,K15Nd7Zr9(PO4)24,-7.9948160567,-3.1486988491,0.010824365,0.010824365,GGA,P1,A15B7C96D24E9_aP151_1_15a_7a_96a_24a_9a:K-Nd-O-P-Zr,151.0,A15B7C96D24E9_aP151_1_15a_7a_96a_24a_9a:K-Nd-O-P-Zr +mp-1210885,NdZr6(PO4)9,-8.6800322318,-3.2405155515,0.0022556078,0.0022556078,GGA,P-3c1,AB36C9D6_hP104_165_b_6g_fg_c2d:Nd-O-P-Zr,104.0,AB36C9D6_hP104_165_b_6g_fg_c2d:Nd-O-P-Zr +mp-559732,K2Nd(PO3)5,-7.567988212,-2.8612147977,0.0066050059,0.0066050059,GGA,Cc,A2BC15D5_mC92_9_2a_a_15a_5a:K-Nd-O-P,46.0,"Invalid WP multiplicities - A2BC15D5_mC92_9_4a_a_28a_9a:K-Nd-O-P, expected K4NdP9O28 to be K2Nd(PO3)5" +mp-6433,KNd(PO3)4,-7.7442543047,-2.9169198080000003,0.0,-0.0096323624,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:K-Nd-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:K-Nd-O-P +mp-559977,KNd(PO3)4,-7.7424987356,-2.9151642388,0.0017555692,-0.0078767932,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:K-Nd-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_22f_4f:K-Nd-O-P, expected KNd(P2O11)4 to be KNd(PO3)4" +mp-697523,CsCuP3H8O13,-6.215391205,-1.8814189678,0.0372601046,0.0372601046,GGA,P-1,ABC8D13E3_aP52_2_i_be_8i_13i_3i:Cs-Cu-H-O-P,52.0,ABC8D13E3_aP52_2_i_be_8i_13i_3i:Cs-Cu-H-O-P +mp-560244,CsZnB(PO4)2,-7.2174657277,-2.6609540003000003,0.0,-0.0327815962,GGA,P-1,ABC8D2E_aP26_2_i_i_8i_2i_i:B-Cs-O-P-Zn,26.0,"Invalid WP multiplicities - ABC8D2E_aP26_2_i_i_15i_3i_i:B-Cs-O-P-Zn, expected CsZnB(PO5)3 to be CsZnB(PO4)2" +mp-1195000,CsZn2B3O7,-6.9699844572,-2.5023009277,0.0,-0.0042882904,GGA,Cmc2_1,A3BC7D2_oC156_36_3a3b_3a_3a9b_3b:B-Cs-O-Zn,78.0,A3BC7D2_oC156_36_3a3b_3a_3a9b_3b:B-Cs-O-Zn +mp-1019723,CsZn4(BO3)3,-6.475199405,-2.3285670211,0.0064949258,0.0064949258,GGA,P2/c,A3BC9D4_mP34_13_eg_f_e4g_2g:B-Cs-O-Zn,34.0,A3BC9D4_mP34_13_eg_f_e4g_2g:B-Cs-O-Zn +mp-984332,Rb2Sr2(CO3)3,-7.31369626,-2.4670556393,0.0029581794,0.0029581794,GGA,I2_13,A3B9C2D2_cI64_199_b_bc_a_a:C-O-Rb-Sr,32.0,A3B9C2D2_cI64_199_b_bc_a_a:C-O-Rb-Sr +mp-863745,RbSrCO3F,-6.8775294314,-2.7846382715,0.0,-0.0193513862,GGA,P-6m2,ABC3DE_hP7_187_c_b_j_f_a:C-F-O-Rb-Sr,7.0,ABC3DE_hP7_187_c_b_j_f_a:C-F-O-Rb-Sr +mp-686590,Sr16Cu8BC7O40,-6.982635751,-2.4135642609,0.0333409625,0.0333409625,GGA,P1,AB7C8D40E16_aP72_1_a_7a_8a_40a_16a:B-C-Cu-O-Sr,72.0,AB7C8D40E16_aP72_1_a_7a_8a_40a_16a:B-C-Cu-O-Sr +mp-1417806,Cu2B2C,-5.507976892,0.6491955828,0.6993680276,0.6993680276,GGA,C2/m,A2BC2_mC10_12_i_a_h:B-C-Cu,5.0,A2BC2_mC10_12_i_a_h:B-C-Cu +mp-2371187,Cu2B2C,-5.511295482,0.6458769928,0.6960494376,0.6960494376,GGA,I4/mmm,A2BC2_tI10_139_e_a_d:B-C-Cu,5.0,A2BC2_tI10_139_e_a_d:B-C-Cu +mp-975505,Rb2CoP4(HO2)8,-6.5089619735,-2.0892386282,0.0,-0.0030320893,GGA+U,P-1,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Co-H-O-P-Rb,62.0,AB8C16D4E2_aP31_2_a_4i_8i_2i_i:Co-H-O-P-Rb +mp-1203531,Rb4Co(PO4)6,-6.29986382,-1.6646981573,0.4772468171,0.4772468171,GGA+U,C2/m,AB24C6D4_mC70_12_a_4i4j_ij_hi:Co-O-P-Rb,35.0,AB24C6D4_mC70_12_a_4i4j_ij_hi:Co-O-P-Rb +mp-1206941,Rb(CoP)2,-5.780746036,-0.5759911008,0.0,-0.1091021625,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Co-P-Rb,5.0,A2B2C_tI10_139_d_e_a:Co-P-Rb +mp-1215121,BaCuH12(C2O7)2,-6.2603217549,-1.482221815,0.0732338786,0.0732338786,GGA,C2/c,AB4CD12E14_mC256_15_f_4f_f_12f_14f:Ba-C-Cu-H-O,128.0,AB4CD12E14_mC256_15_f_4f_f_12f_14f:Ba-C-Cu-H-O +mp-1223720,KFeAs3H7O13,-6.043164985,-1.5786125477,0.0,-0.0048844271,GGA+U,Pc,A3BC7DE13_mP50_7_3a_a_7a_a_13a:As-Fe-H-K-O,50.0,"Invalid WP multiplicities - A3BC7DE13_mP50_7_4a_a_10a_a_19a:As-Fe-H-K-O, expected KFeAs4H10O19 to be KFeAs3H7O13" +mp-619092,K2Fe2As2O9,-6.7482421592,-1.8816237908,0.0,-0.0137321393,GGA+U,Pnma,A2B2C2D9_oP60_62_2c_ac_2c_5c2d:As-Fe-K-O,60.0,"Invalid WP multiplicities - A2B2C2D9_oP60_62_5c_2a2c_6c_19c14d:As-Fe-K-O, expected K6Fe4As5O47 to be K2Fe2As2O9" +mp-1204715,KFe3As4(HO8)2,-6.7594659806,-1.7175656857,0.0,-0.0155381403,GGA+U,C2/c,A4B3C2DE16_mC104_15_2f_cf_f_e_8f:As-Fe-H-K-O,52.0,A4B3C2DE16_mC104_15_2f_af_f_e_8f:As-Fe-H-K-O +mp-559163,KFeAs2O7,-6.700644495,-1.8346919545,0.0,-0.0349188297,GGA+U,P-1,A2BCD7_aP44_2_4i_2i_2i_14i:As-Fe-K-O,44.0,"Invalid WP multiplicities - A2BCD7_aP44_2_8i_2i_4i_27i:As-Fe-K-O, expected K4Fe2As8O27 to be KFeAs2O7" +mp-1179616,Sb2P2C2O7,-7.1487748006,-1.5973317654,0.305799142,0.305799142,GGA,P2_1/c,A2B7C2D2_mP52_14_2e_7e_2e_2e:C-O-P-Sb,52.0,A2B7C2D2_mP52_14_2e_7e_2e_2e:C-O-P-Sb +mp-768144,Na2SbPCO7,-6.9216758208,-2.2514390871,0.0,-0.0195225015,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Sb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Sb, expected Na2SbPCO13 to be Na2SbPCO7" +mp-768121,NaSbPCO7,-7.0773925282,-2.1028183908,0.1001499975,0.1001499975,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Sb,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Sb, expected NaSbPCO13 to be NaSbPCO7" +mp-704417,Rb7U8V2ClO32,-8.7046743745,-3.1945662515,0.0034896579,0.0034896579,GGA+U,Pnma,AB32C7D8E2_oP200_62_c_4c14d_c3d_2c3d_d:Cl-O-Rb-U-V,200.0,"Invalid WP multiplicities - AB32C7D8E2_oP200_62_c_16c105d_4c20d_8c18d_d:Cl-O-Rb-U-V, expected Rb44U44V2ClO226 to be Rb7U8V2ClO32" +mp-554617,Rb6U5V2O23,-8.5093709727,-3.1126513343,0.0,-0.0195029613,GGA+U,P2_1/c,A23B6C5D2_mP144_14_23e_ad5e_5e_2e:O-Rb-U-V,144.0,"Invalid WP multiplicities - A23B6C5D2_mP144_14_87e_2ab17e_18e_8e:O-Rb-U-V, expected Rb37U36V16O174 to be Rb6U5V2O23" +mp-581396,Rb6U5V2O23,-8.5084565832,-3.1117369448,0.0009143895,-0.0185885717,GGA+U,C2/c,A23B6C5D2_mC144_15_e11f_3f_e2f_f:O-Rb-U-V,72.0,"Invalid WP multiplicities - A23B6C5D2_mC144_15_2e42f_7f_e6f_f:O-Rb-U-V, expected Rb14U13V2O86 to be Rb6U5V2O23" +mp-771707,Li2SnBPO7,-7.0548542154,-2.5092764784,0.0977659011,0.0977659011,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Li-O-P-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:B-Li-O-P-Sn, expected Li2SnBPO13 to be Li2SnBPO7" +mp-24220,Cs2FeH12(SO7)2,-5.7705262416,-1.6253623647,0.0,-0.0052949475,GGA+U,P2_1/c,A2BC12D14E2_mP62_14_e_a_6e_7e_e:Cs-Fe-H-O-S,62.0,"Invalid WP multiplicities - A2BC12D14E2_mP62_14_e_a_8e_11e_e:Cs-Fe-H-O-S, expected Cs2FeH16(SO11)2 to be Cs2FeH12(SO7)2" +mp-746702,CsFeH24(SO10)2,-5.5781508778,-1.4532024899,0.0086292322,0.0086292322,GGA+U,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Fe-H-O-S,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Fe-H-O-S +mp-1200003,FeAsNO4F,-6.2729933444,-0.8775098003,0.6945184361000001,0.6945184361000001,GGA+U,Pna2_1,ABCDE4_oP64_33_2a_2a_2a_2a_8a:As-F-Fe-N-O,64.0,ABCDE4_oP64_33_2a_2a_2a_2a_8a:As-F-Fe-N-O +mp-1518364,BaVInWO6,-7.925023646,-2.2857409223,0.1632419895,0.1632419895,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-V-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-V-W +mp-1214949,Ba2V3InO11,-7.8404784515,-2.6490121195,0.0254691149,0.0254691149,GGA+U,P2_1/c,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-In-O-V,68.0,A2BC11D3_mP68_14_2e_e_11e_3e:Ba-In-O-V +mp-561655,YTl5Co2(NO2)12,-6.5516886909,-0.8413525408,0.2165421213,0.2165421213,GGA+U,Pn-3,A2B12C24D5E_cP88_201_b_h_2h_cd_a:Co-N-O-Tl-Y,88.0,"Invalid WP multiplicities - A2B12C24D5E_cP88_201_b_h_26h_3c3d_a:Co-N-O-Tl-Y, expected YTl15Co2(NO26)12 to be YTl5Co2(NO2)12" +mp-1246971,Y2Co3N4,-8.1391173389,-0.6275756376,0.2364119572,0.2364119572,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Co-N-Y,18.0,A3B4C2_mC36_15_ef_2f_f:Co-N-Y +mp-698633,K3Sc(HO)6,-5.0207581466,-1.2894984913,0.5936412143,0.5936412143,GGA,C2/c,A6B3C6D_mC64_15_3f_ef_3f_c:H-K-O-Sc,32.0,A6B3C6D_mC64_15_3f_ef_3f_a:H-K-O-Sc +mp-695800,KScAs2(HO4)2,-6.6586118639,-2.1500356752,0.0,-0.0154144196,GGA,C2/c,A2B2CD8E_mC56_15_f_f_c_4f_e:As-H-K-O-Sc,28.0,A2B2CD8E_mC56_15_f_f_a_4f_e:As-H-K-O-Sc +mp-561117,SXeO3F2,-4.5851950777,-1.322959634,0.0914989643,0.0914989643,GGA,Pbca,A2B3CD_oP56_61_2c_3c_c_c:F-O-S-Xe,56.0,"Invalid WP multiplicities - A2B3CD_oP56_61_9c_15c_c_c:F-O-S-Xe, expected SXe(O5F3)3 to be SXeO3F2" +mp-560077,AsSXe2(OF3)3,-4.2011149059,-1.6441590651,0.042149313,0.042149313,GGA,P2_1/c,AB9C3DE2_mP64_14_e_9e_3e_e_2e:As-F-O-S-Xe,64.0,"Invalid WP multiplicities - AB9C3DE2_mP64_14_e_31e_8e_e_6e:As-F-O-S-Xe, expected AsSXe6O8F31 to be AsSXe2(OF3)3" +mp-1194972,S2Xe(O3F)2,-5.2679411773,-1.4668353494000002,0.0088727403,0.0088727403,GGA,P2_1/c,A2B6C2D_mP44_14_2e_6e_2e_e:F-O-S-Xe,44.0,A2B6C2D_mP44_14_2e_6e_2e_e:F-O-S-Xe +mp-1209623,Rb2UI5,-4.0005328384,-1.4231191003,0.0273982159,0.0273982159,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:I-Rb-U,32.0,A5B2C_oP32_62_3cd_d_c:I-Rb-U +mp-559254,Rb2U3(IO5)4,-7.02415003,-2.1737176921,0.0,-0.005407511,GGA,P-1,A4B20C2D3_aP29_2_2i_10i_i_ai:I-O-Rb-U,29.0,"Invalid WP multiplicities - A4B20C2D3_aP29_2_3i_19i_i_ai:I-O-Rb-U, expected Rb2U3(I3O19)2 to be Rb2U3(IO5)4" +mp-558424,Rb2UCr(IO6)2,-6.6855961975,-1.9515671497,0.0,-0.0129679678,GGA+U,P2_1/c,AB2C12D2E_mP72_14_e_2e_12e_2e_e:Cr-I-O-Rb-U,72.0,"Invalid WP multiplicities - AB2C12D2E_mP72_14_e_6e_44e_7e_e:Cr-I-O-Rb-U, expected Rb7UCr(I3O22)2 to be Rb2UCr(IO6)2" +mp-1194508,RbUCrIO10,-7.0519873875,-1.8473270293,0.1506809978,0.1506809978,GGA+U,P-1,ABC10DE_aP28_2_i_i_10i_i_i:Cr-I-O-Rb-U,28.0,ABC10DE_aP28_2_i_i_10i_i_i:Cr-I-O-Rb-U +mp-1522351,KSrLaWO6,-7.9252543767,-2.8878381765,0.0505061808,0.0505061808,GGA+U,Pnnn,ABC6DE_oP40_48_ab_e_3m_cd_f:K-La-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_2a2b_e_6m_cd_f:K-La-O-Sr-W, expected K2SrLaWO12 to be KSrLaWO6" +mp-1522371,KSrLaWO6,-7.903921488,-2.8665052877,0.0718390696,0.0718390696,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-La-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-La-O-Sr-W +mp-698210,RbCoH24(C7N4)2,-6.0316548796,-0.085664187,0.2106491726,0.2106491726,GGA,I4/m,A14BC24D8E_tI96_87_ehi_a_3i_deh_b:C-Co-H-N-Rb,48.0,A14BC24D8E_tI96_87_ehi_a_3i_deh_b:C-Co-H-N-Rb +mp-699566,BaVCdP2O9,-7.5299482377,-2.7247643674,0.0058518236,0.0058518236,GGA+U,Pbca,ABC9D2E_oP112_61_c_c_9c_2c_c:Ba-Cd-O-P-V,112.0,"Invalid WP multiplicities - ABC9D2E_oP112_61_c_c_68c_11c_c:Ba-Cd-O-P-V, expected BaVCdP11O68 to be BaVCdP2O9" +mp-1213179,CsGa(SO4)2,-6.3569540775,-2.0427950926,0.0,-0.0038931231,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Cs-Ga-O-S,12.0,ABC8D2_hP12_150_a_b_dg_d:Cs-Ga-O-S +mp-738629,CsGaH24(SO10)2,-5.493889625,-1.4823146785,0.0,-0.0027263461,GGA,Pa-3,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Ga-H-O-S,192.0,ABC24D20E2_cP192_205_a_b_4d_c3d_c:Cs-Ga-H-O-S +mp-569070,InSi2P(H3C)8,-5.0208431142,-0.1799994665,0.066057937,0.066057937,GGA,P-1,A8B24CDE2_aP72_2_8i_24i_i_i_2i:C-H-In-P-Si,72.0,"Invalid WP multiplicities - A8B24CDE2_aP72_2_14i_45i_i_i_2i:C-H-In-P-Si, expected InSi2PH45C14 to be InSi2P(H3C)8" +mp-15598,K2Ni2(SO4)3,-6.4054589789,-1.9027913269,0.0181931959,0.0181931959,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:K-Ni-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_5a_2a_8b_b:K-Ni-O-S, expected K5Ni2(SO8)3 to be K2Ni2(SO4)3" +mp-1232337,K2CuNi2(SO)2,-4.6806671556,-0.6754943689,0.6029537953,0.6029537953,GGA+U,I4/mmm,AB2C2D2E2_tI18_139_a_e_d_c_e:Cu-K-Ni-O-S,9.0,AB2C2D2E2_tI18_139_a_e_d_c_e:Cu-K-Ni-O-S +mp-1020147,Na2Mg2P3NO9,-7.0961519356,-2.6877865513,0.0,-0.0311494399,GGA,P2_13,A2BC2D9E3_cP68_198_2a_a_2a_3b_b:Mg-N-Na-O-P,68.0,A2BC2D9E3_cP68_198_2a_a_2a_3b_b:Mg-N-Na-O-P +mp-775213,VNi3Sn2(PO4)6,-7.4371485933,-2.2803762619,0.0985597585,0.0985597585,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Ni-O-P-Sn-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Ni-O-P-Sn-V, expected VNi3Sn2(PO10)6 to be VNi3Sn2(PO4)6" +mp-772564,NiH8(CO5)2,-6.0959903781,-1.2937921335,0.085870276,0.085870276,GGA+U,P2_1/c,A2B8CD10_mP42_14_e_4e_a_5e:C-H-Ni-O,42.0,"Invalid WP multiplicities - A2B8CD10_mP42_14_e_15e_a_17e:C-H-Ni-O, expected NiH30(CO17)2 to be NiH8(CO5)2" +mp-24475,NiH6(CO3)2,-6.1981359018,-1.2465388217,0.0745089612,0.0745089612,GGA+U,P2_1/c,A2B6CD6_mP60_14_2e_6e_ad_6e:C-H-Ni-O,60.0,"Invalid WP multiplicities - A2B6CD6_mP60_14_2e_8e_ab_9e:C-H-Ni-O, expected NiH8C2O9 to be NiH6(CO3)2" +mp-1195478,NiH6(CO3)2,-6.2045080239,-1.2529109437,0.0681368391,0.0681368391,GGA+U,P2_1/c,A2B6CD6_mP90_14_3e_9e_ae_9e:C-H-Ni-O,90.0,A2B6CD6_mP90_14_3e_9e_ae_9e:C-H-Ni-O +mp-1180155,NiH12(C2O5)2,-5.6631740646,-0.7419000534,0.5177191623,0.5177191623,GGA+U,P2_1/c,A4B12CD10_mP54_14_2e_6e_a_5e:C-H-Ni-O,54.0,"Invalid WP multiplicities - A4B12CD10_mP54_14_5e_18e_a_18e:C-H-Ni-O, expected NiH36(C5O18)2 to be NiH12(C2O5)2" +mp-24623,Rb2NiH8(CO5)2,-6.0355948513,-1.5657152303,0.0168569328,0.0168569328,GGA+U,P2_1/c,A2B8CD10E2_mP46_14_e_4e_a_5e_e:C-H-Ni-O-Rb,46.0,"Invalid WP multiplicities - A2B8CD10E2_mP46_14_e_7e_a_8e_e:C-H-Ni-O-Rb, expected Rb2NiH14(CO8)2 to be Rb2NiH8(CO5)2" +mp-559899,BaVCu4P4O17,-7.212287828,-2.2809313166000003,0.0,-0.0185801361,GGA+U,P42_12,AB4C17D4E_tP54_90_a_g_c4g_g_c:Ba-Cu-O-P-V,54.0,"Invalid WP multiplicities - AB4C17D4E_tP54_90_a_g_2c23g_g_c:Ba-Cu-O-P-V, expected BaVCu4(P2O47)2 to be BaVCu4P4O17" +mp-1209634,Rb2Co2(SO4)3,-6.4229854182,-1.7941792144000002,0.140999305,0.140999305,GGA+U,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Co-O-Rb-S,76.0,A2B12C2D3_cP76_198_2a_4b_2a_b:Co-O-Rb-S +mp-24111,Rb2CoH12(SO7)2,-5.6882830624,-1.5815527343,0.0183832098,0.0183832098,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-Rb-S,62.0,"Invalid WP multiplicities - AB12C14D2E2_mP62_14_a_8e_12e_e_e:Co-H-O-Rb-S, expected Rb2CoH16(SO12)2 to be Rb2CoH12(SO7)2" +mp-1209772,Rb2Co(SO7)2,-5.5908011655,-1.0331207639,0.3630107195,0.3630107195,GGA+U,P2_1/c,AB14C2D2_mP38_14_a_7e_e_e:Co-O-Rb-S,38.0,AB14C2D2_mP38_14_a_7e_e_e:Co-O-Rb-S +mp-1244594,La4MnS6O,-7.3449098913,-2.4556239225,0.0058601696,-0.0148301247,GGA+U,Cmc2_1,A4BCD6_oC48_36_2ab_a_a_2a2b:La-Mn-O-S,24.0,"Invalid WP multiplicities - A4BCD6_hP24_186_2b3c_a_b_5c:La-Mn-O-S, expected La11MnS15O to be La4MnS6O" +mp-18292,La4MnS6O,-7.3507700608,-2.4614840921,0.0,-0.0206902942,GGA+U,P6_3mc,A4BCD6_hP24_186_bc_a_b_2c:La-Mn-O-S,24.0,"Invalid WP multiplicities - A4BCD6_hP24_186_bc_a_b_4c:La-Mn-O-S, expected La4MnS12O to be La4MnS6O" +mp-1054584,La3MnW(SO2)3,-8.3592719293,-2.7151541646,0.1352355293,0.1352355293,GGA+U,P-1,A3BC6D3E_aP28_2_3i_ad_6i_3i_i:La-Mn-O-S-W,28.0,"Invalid WP multiplicities - A3BC6D3E_aP28_2_4i_ad_12i_4i_i:La-Mn-O-S-W, expected La4MnW(SO3)4 to be La3MnW(SO2)3" +mp-866694,La3MnW(SO2)3,-8.3590747136,-2.7149569489000003,0.135432745,0.135432745,GGA+U,P6_3/m,A3BC6D3E_hP28_176_h_b_i_h_c:La-Mn-O-S-W,28.0,A3BC6D3E_hP28_176_h_b_i_h_c:La-Mn-O-S-W +mp-1203963,RbUCrNO9,-7.9223848144,-2.1699475161,0.0,-0.0161113698,GGA+U,P2_1/c,ABC9DE_mP52_14_e_e_9e_e_e:Cr-N-O-Rb-U,52.0,ABC9DE_mP52_14_e_e_9e_e_e:Cr-N-O-Rb-U +mp-10247,U2CrN3,-10.8964475533,-1.3555555092,0.0,-0.0111155204,GGA,Immm,AB3C2_oI12_71_a_ce_e:Cr-N-U,6.0,AB3C2_oI12_71_a_ce_e:Cr-N-U +mp-561966,Rb2U(N2O7)2,-7.1525982479,-1.6358315901,0.0068359117,0.0068359117,GGA,P2_1/c,A4B14C2D_mP42_14_2e_7e_e_a:N-O-Rb-U,42.0,"Invalid WP multiplicities - A4B14C2D_mP42_14_3e_27e_e_a:N-O-Rb-U, expected Rb2U(NO9)6 to be Rb2U(N2O7)2" +mp-6330,RbUN3O11,-7.4424972381,-1.7115594455,0.0,-0.0513619858,GGA,R-3c,A3B11CD_hR96_167_e_cef_b_a:N-O-Rb-U,32.0,"Invalid WP multiplicities - A3B11CD_hR96_167_e_ce2f_b_a:N-O-Rb-U, expected RbUN3O17 to be RbUN3O11" +mp-554732,RbSbS(O2F)2,-5.9407129089,-2.2900798023,0.0,-0.0280723844,GGA,Pna2_1,A2B4CDE_oP36_33_2a_4a_a_a_a:F-O-Rb-S-Sb,36.0,"Invalid WP multiplicities - A2B4CDE_oP36_33_4a_12a_a_a_a:F-O-Rb-S-Sb, expected RbSbS(O3F)4 to be RbSbS(O2F)2" +mp-1200466,Rb2Sb2SO5F6,-5.3864194972,-2.2265546314,0.2565880674,0.2565880674,GGA,P4_12_12,A6B5C2DE2_tP64_92_3b_a2b_b_a_b:F-O-Rb-S-Sb,64.0,A6B5C2DE2_tP64_92_3b_a2b_b_a_b:F-O-Rb-S-Sb +mp-1202298,K4Mo2S4ClO20,-6.0453466848,-1.4175722861,0.6024974246,0.6024974246,GGA+U,P4/mnc,AB4C2D20E4_tP62_128_a_g_e_3hi_h:Cl-K-Mo-O-S,62.0,AB4C2D20E4_tP62_128_a_g_e_3hi_h:Cl-K-Mo-O-S +mp-1224205,K12Mo4S11Cl4O5,-5.2847507047,-1.5531971898,0.1454180014,0.1454180014,GGA+U,P1,A4B12C4D5E11_aP36_1_4a_12a_4a_5a_11a:Cl-K-Mo-O-S,36.0,A4B12C4D5E11_aP36_1_4a_12a_4a_5a_11a:Cl-K-Mo-O-S +mp-1021466,CsPPb(IF3)2,-4.6677224082,-2.4461807306,0.079819078,0.079819078,GGA,P4/mmm,AB6C2DE_tP11_123_c_gl_e_a_b:Cs-F-I-P-Pb,11.0,AB6C2DE_tP11_123_c_gl_e_a_b:Cs-F-I-P-Pb +mp-1211751,KAlCr2(HO4)2,-6.4625452779,-1.4253287424,0.6815432050000001,0.6815432050000001,GGA+U,C2/m,AB2C2DE8_mC28_12_a_i_i_c_2ij:Al-Cr-H-K-O,14.0,AB2C2DE8_mC28_12_a_i_i_d_2ij:Al-Cr-H-K-O +mp-1360171,Sr2YVCu2O7,-7.2506243085,-2.5002705847,0.1674450855,0.1674450855,GGA+U,Ima2,A2B7C2DE_oI52_46_c_b3c_c_b_a:Cu-O-Sr-V-Y,26.0,A2B7C2DE_oI52_46_c_b3c_c_b_a:Cu-O-Sr-V-Y +mp-540934,CoHgC4(SN)4,-6.7600349664,-0.0301464452,0.2035358352,0.2035358352,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Co-Hg-N-S,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Co-Hg-N-S +mp-863295,CsVGa(PO5)2,-7.2613562582,-2.3746298188,0.1038587821,0.1038587821,GGA+U,P2_1/c,ABC10D2E_mP60_14_e_e_10e_2e_e:Cs-Ga-O-P-V,60.0,ABC10D2E_mP60_14_e_e_10e_2e_e:Cs-Ga-O-P-V +mp-709400,HgH4C4(Br2N)2,-4.4760249183,0.435598394,0.9160526063,0.9160526063,GGA,P2_1/c,A4B4C4DE2_mP60_14_4e_4e_4e_e_2e:Br-C-H-Hg-N,60.0,A4B4C4DE2_mP60_14_4e_4e_4e_e_2e:Br-C-H-Hg-N +mp-604295,HgH16(Br3N2)2,-4.3092905172,-0.7073850815,0.0171223456,0.0171223456,GGA,P2_1/c,A6B16CD4_mP54_14_3e_8e_a_2e:Br-H-Hg-N,54.0,"Invalid WP multiplicities - A6B16CD4_mP54_14_12e_28e_a_3e:Br-H-Hg-N, expected HgH56(Br4N)6 to be HgH16(Br3N2)2" +mp-604304,HgH16(Br3N2)2,-4.3116868409,-0.7097814052,0.0147260219,0.0147260219,GGA,Pnnm,A6B16CD4_oP54_58_e2g_4h_a_h:Br-H-Hg-N,54.0,"Invalid WP multiplicities - A6B16CD4_oP54_58_3e8g_24h_a_h:Br-H-Hg-N, expected HgH96(Br11N2)2 to be HgH16(Br3N2)2" +mp-1203456,HgH16(Br3N2)2,-4.3208142367,-0.7189088009,0.0055986262,0.0055986262,GGA,P4/mnc,A6B16CD4_tP54_128_eh_2i_a_g:Br-H-Hg-N,54.0,A6B16CD4_tP54_128_eh_2i_a_g:Br-H-Hg-N +mp-23835,HgH12C2(Br2N3)2,-5.2122711242,-0.5840788538,0.0,-0.0002092735,GGA,C2/c,A4B2C12DE6_mC100_15_2f_f_6f_e_3f:Br-C-H-Hg-N,50.0,"Invalid WP multiplicities - A4B2C12DE6_mC100_15_5f_f_10f_e_7f:Br-C-H-Hg-N, expected HgH20C2(Br5N7)2 to be HgH12C2(Br2N3)2" +mp-569827,HgH8C2Br3N,-4.4446475963,-0.5180876213,0.0192176929,0.0192176929,GGA,P2_1/m,A3B2C8DE_mP30_11_3e_2e_2e3f_e_e:Br-C-H-Hg-N,30.0,"Invalid WP multiplicities - A3B2C8DE_mP30_11_5e_2e_4e8f_e_e:Br-C-H-Hg-N, expected HgH20C2Br5N to be HgH8C2Br3N" +mp-1199581,HgH3CN3,-5.4906879844,0.0993131116,0.3687543715,0.3687543715,GGA,P2_1/c,AB3CD3_mP32_14_e_3e_e_3e:C-H-Hg-N,32.0,AB3CD3_mP32_14_e_3e_e_3e:C-H-Hg-N +mp-571511,HgH10C3Br3N,-4.5832512419,-0.4214447304,0.0616401009,0.0616401009,GGA,P2_1/c,A3B3C10DE_mP72_14_3e_3e_10e_e_e:Br-C-H-Hg-N,72.0,"Invalid WP multiplicities - A3B3C10DE_mP72_14_8e_7e_39e_e_e:Br-C-H-Hg-N, expected HgH39C7Br8N to be HgH10C3Br3N" +mp-1181795,HgC4Br3N,-5.1998378217,0.3794868728,0.6999467062,0.6999467062,GGA,P2_1,A3B4CD_mP36_4_6a_8a_2a_2a:Br-C-Hg-N,36.0,A3B4CD_mP36_4_6a_8a_2a_2a:Br-C-Hg-N +mp-1102100,HgCBr3N,-3.4568786392,0.2977756562,0.7784654064000001,0.7784654064000001,GGA,Cmcm,A3BCD_oC24_63_cg_c_c_c:Br-C-Hg-N,12.0,A3BCD_oC24_63_cg_c_c_c:Br-C-Hg-N +mp-1181469,HgC2(Br2N)2,-4.7504017289,-0.1230556711,0.2367884278,0.2367884278,GGA,P2_1/c,A4B2CD2_mP36_14_4e_2e_e_2e:Br-C-Hg-N,36.0,A4B2CD2_mP36_14_4e_2e_e_2e:Br-C-Hg-N +mp-1181520,HgC2Br3N,-4.2615855184,0.2750703766,0.6870901624,0.6870901624,GGA,P2/c,A3B2CD_mP56_13_6g_4g_efg_2g:Br-C-Hg-N,56.0,A3B2CD_mP56_13_6g_4g_efg_2g:Br-C-Hg-N +mp-1519429,KBaLaWO6,-7.9733615118,-2.9129971628,0.0,-0.0039824066,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ba-K-La-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ba-K-La-O-W, expected K2BaLaWO12 to be KBaLaWO6" +mp-1519457,KBaLaWO6,-7.97127329,-2.9109089411,0.0020882218,-0.0018941848,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-La-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-K-La-O-W +mp-1101188,V3FeNi2(PO4)6,-7.9613006614,-2.4479018589,0.0188072412,0.0188072412,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Fe-Ni-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Fe-Ni-O-P-V, expected V3FeNi2(PO10)6 to be V3FeNi2(PO4)6" +mp-764497,VFe2Ni3(PO4)6,-7.601947713599999,-2.1973726403,0.0882723278,0.0882723278,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Fe-Ni-O-P-V, expected VFe2Ni3(PO10)6 to be VFe2Ni3(PO4)6" +mp-758851,VFe3Ni2(PO4)6,-7.79263974,-2.3133456519,0.0212208265,0.0212208265,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-V,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Fe-Ni-O-P-V, expected VFe3Ni2(PO10)6 to be VFe3Ni2(PO4)6" +mp-1101236,V2Fe3Ni(PO4)6,-7.9168753314,-2.3458098714,0.0880037026,0.0880037026,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Ni-O-P-V,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_20b_2b_2a:Fe-Ni-O-P-V, expected V2Fe3Ni(PO10)6 to be V2Fe3Ni(PO4)6" +mp-774828,V3Fe2Ni(PO4)6,-8.0580222011,-2.4699043839,0.0241065221,0.0241065221,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Fe-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Fe-Ni-O-P-V, expected V3Fe2Ni(PO10)6 to be V3Fe2Ni(PO4)6" +mp-604147,Na2Li(H2N)3,-4.6479873954,-0.4880028539,0.0080523628,0.0080523628,GGA,P4_2/m,A6BC3D2_tP48_84_3k_j_jk_afi:H-Li-N-Na,48.0,"Invalid WP multiplicities - A6BC3D2_tP48_84_19k_j_j2k_2a2f3i:H-Li-N-Na, expected Na5LiH38N5 to be Na2Li(H2N)3" +mp-505381,NaLi3(H2N)4,-4.7813735412,-0.5603059192000001,0.0,-0.0028693774,GGA,I-4,A8B3C4D_tI32_82_2g_ce_g_a:H-Li-N-Na,16.0,A8B3C4D_tI32_82_2g_ce_g_a:H-Li-N-Na +mp-1221143,NaLi4(H2N)5,-4.7922673048,-0.563869713,0.0028153413,0.0028153413,GGA,P1,A10B4C5D_aP80_1_40a_16a_20a_4a:H-Li-N-Na,80.0,A10B4C5D_aP80_1_40a_16a_20a_4a:H-Li-N-Na +mp-1221130,NaLi4(H2N)5,-4.793352926,-0.5649553342,0.00172972,0.00172972,GGA,I-4,A10B4C5D_tI160_82_10g_ac5e2f_5g_2e:H-Li-N-Na,80.0,"Invalid WP multiplicities - A10B4C5D_tI160_82_40g_ac10e4f_20g_3e:H-Li-N-Na, expected Na3Li15(H2N)40 to be NaLi4(H2N)5" +mp-1203079,NaLiB2(H5N)2,-4.6261111387,-0.4267060136,0.0986014099,0.0986014099,GGA,P-1,A2B10CD2E_aP32_2_2i_10i_i_2i_i:B-H-Li-N-Na,32.0,A2B10CD2E_aP32_2_2i_10i_i_2i_i:B-H-Li-N-Na +mp-1195726,NaLiB2(H5N)2,-4.6218553869,-0.4224502618,0.1028571618,0.1028571618,GGA,Pca2_1,A2B10CD2E_oP64_29_2a_10a_a_2a_a:B-H-Li-N-Na,64.0,A2B10CD2E_oP64_29_2a_10a_a_2a_a:B-H-Li-N-Na +mp-1046434,SrCaV(PO4)2,-7.9177581465,-3.0578262922,0.0278774899,0.0278774899,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sr-V,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sr-V, expected SrCaV(PO7)2 to be SrCaV(PO4)2" +mp-1375010,SrCaV(PO4)2,-5.6654303985,-0.8054985441,2.280205238,2.280205238,GGA+U,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sr-V,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sr-V, expected SrCaV(PO7)2 to be SrCaV(PO4)2" +mp-767701,Mn2VFe3(PO4)6,-8.1001123069,-2.4329360738,0.0102237678,0.0102237678,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Mn-O-P-V,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Fe-Mn-O-P-V, expected Mn2VFe3(PO10)6 to be Mn2VFe3(PO4)6" +mp-766226,MnV2Fe3(PO4)6,-8.0917568378,-2.4267503052,0.0554039581,0.0554039581,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Mn-O-P-V,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_20b_2b_2a:Fe-Mn-O-P-V, expected MnV2Fe3(PO10)6 to be MnV2Fe3(PO4)6" +mp-758220,Mn2V3Fe(PO4)6,-8.2691622383,-2.5678812907,0.0,-0.0020702089,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Fe-Mn-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Fe-Mn-O-P-V, expected Mn2V3Fe(PO10)6 to be Mn2V3Fe(PO4)6" +mp-758537,Mn3VFe2(PO4)6,-8.0745548514,-2.3881565604,0.0729889281,0.0729889281,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Fe-Mn-O-P-V, expected Mn3VFe2(PO10)6 to be Mn3VFe2(PO4)6" +mp-1199562,Na2TbPWO8,-7.821645889,-2.8043874957,0.0079435321,0.0079435321,GGA+U,Ibca,A2B8CDE_oI104_73_f_4f_c_c_d:Na-O-P-Tb-W,52.0,A2B8CDE_oI104_73_f_4f_c_c_d:Na-O-P-Tb-W +mp-1213406,CsFe(OF2)2,-4.7507797894,-1.3876901801,0.7311031847,0.7311031847,GGA+U,C2/c,AB4CD2_mC32_15_e_2f_c_f:Cs-F-Fe-O,16.0,AB4CD2_mC32_15_e_2f_a_f:Cs-F-Fe-O +mp-1189477,Cs2FeOF5,-5.0673299822,-2.3156733708,0.2538085788,0.2538085788,GGA+U,Cmcm,A2B5CD_oC36_63_e_cfg_c_c:Cs-F-Fe-O,18.0,A2B5CD_oC36_63_e_cfg_c_c:Cs-F-Fe-O +mp-1200525,Cs2Fe2P3O8F7,-6.7043789907,-2.707805484,0.0025945239,0.0025945239,GGA+U,Aea2,A2B7C2D8E3_oC88_41_b_a3b_b_4b_ab:Cs-F-Fe-O-P,44.0,A2B7C2D8E3_oC88_41_b_a3b_b_4b_ab:Cs-F-Fe-O-P +mp-770348,Li2VSiCO7,-7.6807990992,-2.4989194071,0.0627565413,0.0627565413,GGA+U,P2_1,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Li-O-Si-V,48.0,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Li-O-Si-V +mp-772542,Li2VSiCO7,-7.672260561,-2.490380869,0.0712950794,0.0712950794,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-Si-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-Si-V +mp-768601,Li3VSiCO7,-7.4657440875,-2.5356303051,0.0340394881,0.0340394881,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-Si-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-Si-V +mp-770650,LiVSiCO7,-7.8650723677,-2.3856511461,0.0920685766,0.0920685766,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-Si-V,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-Si-V, expected LiVSiCO13 to be LiVSiCO7" +mp-770349,LiVSiCO7,-7.8629782591,-2.3835570375,0.0941626852,0.0941626852,GGA+U,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Li-O-Si-V,22.0,"Invalid WP multiplicities - ABC7DE_mP22_11_e_e_9e2f_e_e:C-Li-O-Si-V, expected LiVSiCO13 to be LiVSiCO7" +mp-1224714,KSr4Si8H17O29,-6.7103263562,-2.4323393665,0.0139562231,0.0139562231,GGA,P4nc,A17BC29D8E4_tP118_104_a4c_a_a7c_2c_c:H-K-O-Si-Sr,118.0,A17BC29D8E4_tP118_104_a4c_a_a7c_2c_c:H-K-O-Si-Sr +mp-774247,Na3FeBSO7,-6.6058367442,-2.1535090745,0.0694082135,0.0694082135,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Na-O-S,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Na-O-S +mp-770356,Na6Fe2B4SO16,-6.8958767684,-2.2449722681,0.0250960833,0.0250960833,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Fe-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:B-Fe-Na-O-S, expected Na6Fe2B4SO20 to be Na6Fe2B4SO16" +mp-1223421,KPr9(Si3O13)2,-8.506322311,-3.6181231344,0.0,-0.0491115209,GGA,P3,AB26C9D6_hP42_143_a_2b8d_a2c2d_2d:K-O-Pr-Si,42.0,AB26C9D6_hP42_143_a_2b8d_a2c2d_2d:K-O-Pr-Si +mp-1192490,K5Pr4Si4O16F,-7.521227357,-3.2733810829,0.0,-0.0357179105,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-K-O-Pr-Si,30.0,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-K-O-Pr-Si +mp-1212348,K2Be2NiH6F8,-4.5600122597,-1.8690676116,0.3318352644,0.3318352644,GGA+U,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-H-K-Ni,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-H-K-Ni +mp-1238483,K2Be2NiH6F8,-4.5634174258,-1.8724727777,0.3284300984,0.3284300984,GGA+U,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-H-K-Ni,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:Be-F-H-K-Ni +mp-1203230,InH12C4Se2I3,-4.4875289692,-0.3152116853,0.0074776499,0.0074776499,GGA,P2_1/c,A4B12C3DE2_mP88_14_4e_12e_3e_e_2e:C-H-I-In-Se,88.0,A4B12C3DE2_mP88_14_4e_12e_3e_e_2e:C-H-I-In-Se +mp-8564,CsK2Sc(PO4)2,-7.2229364521,-2.948023304,0.0,-0.0291810315,GGA,P-3m1,AB2C8D2E_hP14_164_a_d_di_d_b:Cs-K-O-P-Sc,14.0,AB2C8D2E_hP14_164_a_d_di_d_b:Cs-K-O-P-Sc +mp-1519244,KSrNdWO6,-7.8948753435,-2.8742451105,0.0326313369,0.0326313369,GGA+U,Pnnn,ABC6DE_oP40_48_ab_e_3m_cd_f:K-Nd-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_2a2b_e_6m_cd_f:K-Nd-O-Sr-W, expected K2SrNdWO12 to be KSrNdWO6" +mp-1519208,KSrNdWO6,-7.878537755,-2.857907522,0.0489689254,0.0489689254,GGA+U,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Nd-O-Sr-W,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Nd-O-Sr-W +mp-697047,Li3H4Rh,-3.83091933,-0.4981717487,0.0,-0.0317348586,GGA,Cmcm,A4B3C_oC32_63_2f_cf_c:H-Li-Rh,16.0,A4B3C_oC32_63_2f_cf_c:H-Li-Rh +mp-27797,Li4H4Rh,-3.5832140289,-0.4086691937,0.0539770922,0.0539770922,GGA,I4/m,A4B4C_tI18_87_h_h_a:H-Li-Rh,9.0,A4B4C_tI18_87_h_h_a:H-Li-Rh +mp-733455,Li3H6Rh,-3.8539809302,-0.5092376563000001,0.0,-0.1107002573,GGA,Pnma,A6B3C_oP40_62_2c2d_3c_c:H-Li-Rh,40.0,A6B3C_oP40_62_2c2d_3c_c:H-Li-Rh +mp-1193504,Li4H7RhS3O13,-5.0523199414,-0.9285562093,0.8645566484,0.8645566484,GGA,R3,A7B4C13DE3_hR84_146_a2b_ab_a4b_a_b:H-Li-O-Rh-S,28.0,A7B4C13DE3_hR84_146_a2b_ab_a4b_a_b:H-Li-O-Rh-S +mp-1237191,Li4H7RhS3O13,-5.5389780096,-1.4152142776,0.3778985802,0.3778985802,GGA,R3,A7B4C13DE3_hR84_146_a2b_ab_a4b_a_b:H-Li-O-Rh-S,28.0,A7B4C13DE3_hR84_146_a2b_ab_a4b_a_b:H-Li-O-Rh-S +mp-27796,Li4H5Rh,-3.6352332655,-0.4388703093,0.0587731265,0.0587731265,GGA,Cmcm,A5B4C_oC40_63_c2f_2f_c:H-Li-Rh,20.0,"Invalid WP multiplicities - A5B4C_oC40_63_c2f_4f_c:H-Li-Rh, expected Li8H5Rh to be Li4H5Rh" +mp-1210423,UZnH5(SeO5)2,-5.7283570797,-1.2034363475,0.6011889712,0.6011889712,GGA,P2_1/c,A5B10C2DE_mP76_14_5e_10e_2e_e_e:H-O-Se-U-Zn,76.0,A5B10C2DE_mP76_14_5e_10e_2e_e_e:H-O-Se-U-Zn +mp-1173447,Rb2SbN2(O2F)3,-5.9479863912,-1.7924415052,0.0426169169,0.0426169169,GGA,P2_1,A3B2C6D2E_mP56_4_6a_4a_12a_4a_2a:F-N-O-Rb-Sb,56.0,A3B2C6D2E_mP56_4_12a_8a_24a_8a_4a:F-N-O-Rb-Sb +mp-1220150,Rb2SbN2(O2F)3,-5.9471811039,-1.7916362179,0.0434222042,0.0434222042,GGA,P2_1,A3B2C6D2E_mP56_4_6a_4a_12a_4a_2a:F-N-O-Rb-Sb,56.0,A3B2C6D2E_mP56_4_6a_4a_12a_4a_2a:F-N-O-Rb-Sb +mp-1247223,RbSbN2,-5.3531880508,0.0924432398,0.4695791913,0.4695791913,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Rb-Sb,64.0,A2BC_oP64_61_4c_2c_2c:N-Rb-Sb +mp-559307,Cu3P4(SI)3,-4.3144882075,-0.4083129239,0.0058726187,0.0058726187,GGA,Pnma,A3B3C4D3_oP52_62_cd_cd_2cd_cd:Cu-I-P-S,52.0,"Invalid WP multiplicities - A3B3C4D3_oP52_62_3c4d_3c3d_7c3d_3c3d:Cu-I-P-S, expected Cu11P13(SI)9 to be Cu3P4(SI)3" +mp-565597,Cu3P4S4I3,-4.377074272,-0.4544508039,0.0,-0.0250306488,GGA,P6_3cm,A3B3C4D4_hP84_185_cd_cd_2cd_2cd:Cu-I-P-S,84.0,"Invalid WP multiplicities - A3B3C4D4_hP84_185_5c5d_5c6d_9c7d_10c6d:Cu-I-P-S, expected Cu15P23S22I17 to be Cu3P4S4I3" +mp-1200181,Cu2As9P3S9I2,-4.6582298255,-0.3964231052,0.0,-0.0266048367,GGA,P2_1/c,A9B2C2D3E9_mP100_14_9e_2e_2e_3e_9e:As-Cu-I-P-S,100.0,A9B2C2D3E9_mP100_14_9e_2e_2e_3e_9e:As-Cu-I-P-S +mp-554724,CuP4S3I,-4.8003900111,-0.3964863836,0.0,-0.0039173972,GGA,Cmce,ABC4D3_oC72_64_d_f_2fg_fg:Cu-I-P-S,36.0,"Invalid WP multiplicities - ABC4D3_oC72_64_d_f_8f5g_4f5g:Cu-I-P-S, expected CuP18S14I to be CuP4S3I" +mp-600366,H8C3SeN2,-5.5626798179,-0.2057722346,0.0811848239,0.0811848239,GGA,Pbca,A3B8C2D_oP112_61_3c_8c_2c_c:C-H-N-Se,112.0,"Invalid WP multiplicities - A3B8C2D_oP112_61_17c_59c_11c_c:C-H-N-Se, expected H59C17SeN11 to be H8C3SeN2" +mp-568817,H9C4Se2N,-5.2670156273,-0.0934209864,0.1314894843,0.1314894843,GGA,P2_1/c,A4B9CD2_mP64_14_4e_9e_e_2e:C-H-N-Se,64.0,"Invalid WP multiplicities - A4B9CD2_mP64_14_15e_32e_e_4e:C-H-N-Se, expected H32C15Se4N to be H9C4Se2N" +mp-1200633,AgH12C4Se5N,-4.8521316854,-0.2314367799,0.0453277791,0.0453277791,GGA,Cc,AB4C12DE5_mC92_9_a_4a_12a_a_5a:Ag-C-H-N-Se,46.0,AB4C12DE5_mC92_9_a_4a_12a_a_5a:Ag-C-H-N-Se +mp-1200281,H9C3SeN3,-5.4721394141,-0.0517689682,0.2652421165,0.2652421165,GGA,P2_12_12_1,A3B9C3D_oP128_19_6a_18a_6a_2a:C-H-N-Se,128.0,A3B9C3D_oP128_19_6a_18a_6a_2a:C-H-N-Se +mp-641965,RbAuC2(SN)2,-6.2606569709,-0.3034523908,0.1111189486,0.1111189486,GGA,C2/c,AB2C2DE2_mC64_15_2e_2f_2f_f_2f:Au-C-N-Rb-S,32.0,"Invalid WP multiplicities - AB2C2DE2_mC64_15_2e_5f_7f_f_6f:Au-C-N-Rb-S, expected RbAuC5S6N7 to be RbAuC2(SN)2" +mp-568381,RbAu(CN)2,-6.7617135913,-0.1975907733,0.1172534731,0.1172534731,GGA,C2/c,AB2C2D_mC96_15_2ef_4f_4f_2f:Au-C-N-Rb,48.0,"Invalid WP multiplicities - AB2C2D_mC96_15_4e2f_15f_12f_4f:Au-C-N-Rb, expected Rb4Au4(C5N4)3 to be RbAu(CN)2" +mp-571181,RbAuN12,-7.2856740582,0.1637798827,0.2815774325,0.2815774325,GGA,C2/c,AB12C_mC56_15_e_6f_e:Au-N-Rb,28.0,"Invalid WP multiplicities - AB12C_mC56_15_e_20f_e:Au-N-Rb, expected RbAuN40 to be RbAuN12" +mp-10421,RbAuC2,-5.4986046725,0.1793320919,0.3297920728,0.3297920728,GGA,P4/mmm,AB2C_tP4_123_a_g_d:Au-C-Rb,4.0,AB2C_tP4_123_a_g_d:Au-C-Rb +mp-1520256,KCaNdWO6,-7.8722534807,-2.820012605,0.1155161818,0.1155161818,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Ca-K-Nd-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Ca-K-Nd-O-W, expected K2CaNdWO12 to be KCaNdWO6" +mp-1520270,KCaNdWO6,-7.83013105,-2.7778901743,0.1576386126,0.1576386126,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-K-Nd-O-W +mp-8301,Gd2CF2,-10.76589682,-2.5251232385,0.0,-0.2166759288,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-F-Gd,5.0,AB2C2_hP5_164_a_d_d:C-F-Gd +mp-8986,Ba2GdC2(O2F)3,-8.3183531721,-3.1907837239,0.0,-0.0636256732,GGA,Pbcn,A2B2C3DE6_oP56_60_d_d_cd_c_3d:Ba-C-F-Gd-O,56.0,A2B2C3DE6_oP56_60_d_d_cd_c_3d:Ba-C-F-Gd-O +mp-1516194,KLaCoWO6,-7.934724746,-2.3554261116,0.1804281043,0.1804281043,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Co-K-La-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Co-K-La-O-W +mp-1225259,K5Mo8As(H3O16)2,-7.2259036388,-1.9253900033,0.0,-0.0026643814,GGA+U,C222_1,AB6C5D8E32_oC208_20_a_2a2c_a2c_4c_4a14c:As-H-K-Mo-O,104.0,"Invalid WP multiplicities - AB6C5D8E32_oC208_20_a_2a2c_a2c_6c_4a18c:As-H-K-Mo-O, expected K5Mo12As(H3O20)2 to be K5Mo8As(H3O16)2" +mp-1208238,Tl2Co2(SO4)3,-6.4885884582,-1.7142970887,0.003117432,0.003117432,GGA+U,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:Co-O-S-Tl,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:Co-O-S-Tl +mp-1196372,Tl2CoH12(SO7)2,-5.6411062795,-1.445207624,0.0212600628,0.0212600628,GGA+U,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-S-Tl,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Co-H-O-S-Tl +mp-1203924,RbUC3O8,-8.4151957965,-2.2973919312,0.0490774926,0.0490774926,GGA,P2_1/c,A3B8CD_mP52_14_3e_8e_e_e:C-O-Rb-U,52.0,A3B8CD_mP52_14_3e_8e_e_e:C-O-Rb-U +mp-1219749,Rb6Na2U2C6O23,-7.4765925282,-2.3418000063,0.0452509812,0.0452509812,GGA,P3,A6B2C23D6E2_hP39_143_2d_ab_2a2bc6d_2d_ab:C-Na-O-Rb-U,39.0,A6B2C23D6E2_hP39_143_2d_ab_2a2bc6d_2d_ab:C-Na-O-Rb-U +mp-560724,Na4UC3O11,-7.6175200097,-2.4237787737,0.000465975,-0.071746149,GGA,P-1,A3B4C11D_aP76_2_6i_ab7i_22i_2i:C-Na-O-U,76.0,"Invalid WP multiplicities - A3B4C11D_aP76_2_12i_ab14i_44i_3i:C-Na-O-U, expected Na15U3(C3O11)4 to be Na4UC3O11" +mp-1202805,Na4UC3O11,-7.6176383021,-2.4238970661,0.0003476826,-0.0718644413,GGA,Cc,A3B4C11D_mC76_9_3a_4a_11a_a:C-Na-O-U,38.0,A3B4C11D_mC76_9_3a_4a_11a_a:C-Na-O-U +mp-6046,Na4UC3O11,-7.6179859847,-2.4242447487,0.0,-0.072212124,GGA,P-3c1,A3B4C11D_hP76_165_g_abg_2d3g_d:C-Na-O-U,76.0,A3B4C11D_hP76_165_g_abg_2d3g_d:C-Na-O-U +mp-1209486,Rb4UC3O11,-7.5801523263,-2.458409242,0.0,-0.0946065613,GGA,C2/c,A3B11C4D_mC76_15_ef_e5f_2f_e:C-O-Rb-U,38.0,A3B11C4D_mC76_15_ef_e5f_2f_e:C-O-Rb-U +mp-698432,CrSb2H12(C2O)4,-5.9750792176,-0.3365665778,0.3251815264,0.3251815264,GGA+U,C2/m,A8BC12D4E2_mC108_12_2i3j_i_6j_2ij_j:C-Cr-H-O-Sb,54.0,A8BC12D4E2_mC108_12_2i3j_i_6j_2ij_j:C-Cr-H-O-Sb +mp-1196843,CrSb2H12C8O5,-6.0408159946,-0.4270113523,0.3257534201,0.3257534201,GGA+U,C2/c,A8BC12D5E2_mC224_15_8f_f_12f_5f_2f:C-Cr-H-O-Sb,112.0,A8BC12D5E2_mC224_15_8f_f_12f_5f_2f:C-Cr-H-O-Sb +mp-1214020,Ca4YB3O10,-8.052451065,-3.3861214506,0.0,-0.0056668644,GGA,Cm,A3B4C10D_mC36_8_ab_2b_2a4b_a:B-Ca-O-Y,18.0,A3B4C10D_mC36_8_ab_2b_2a4b_a:B-Ca-O-Y +mp-1213894,CaYBO4,-8.5155412107,-3.5243672665,0.0,-0.0077123055,GGA,Pnma,ABC4D_oP28_62_c_c_4c_c:B-Ca-O-Y,28.0,ABC4D_oP28_62_c_c_4c_c:B-Ca-O-Y +mp-1192224,Y3MnB7,-7.4472398936,-0.6002243456,0.0,-0.0178108446,GGA,Cmcm,A7BC3_oC44_63_c3f_c_cf:B-Mn-Y,22.0,A7BC3_oC44_63_c3f_c_cf:B-Mn-Y +mp-726398,Ca3YMn3B4O15,-8.3474841656,-2.9287451509,0.0156749495,0.0156749495,GGA+U,Pm,A4B3C3D15E_mP52_6_3a3bc_2a4b_3c_6a6b9c_2a:B-Ca-Mn-O-Y,52.0,"Invalid WP multiplicities - A4B3C3D15E_mP52_6_3a3bc_2a4b_4c_6a6b9c_2a:B-Ca-Mn-O-Y, expected Ca3YMn4B4O15 to be Ca3YMn3B4O15" +mp-1191988,YMnB4,-7.7027112229,-0.6450356415,0.0,-0.0777474219,GGA,Pbam,A4BC_oP24_55_4h_g_g:B-Mn-Y,24.0,A4BC_oP24_55_4h_g_g:B-Mn-Y +mp-1201959,MnTl2P4(HO2)8,-6.5824658748,-2.0073258957,0.0,-0.0033061295,GGA+U,P-1,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Mn-O-P-Tl,31.0,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Mn-O-P-Tl +mp-1196500,MnTl(PO3)3,-7.6578198489,-2.4946223946,0.0,-0.0179464087,GGA+U,Pnma,AB9C3D_oP56_62_c_3c3d_cd_c:Mn-O-P-Tl,56.0,AB9C3D_oP56_62_c_3c3d_cd_c:Mn-O-P-Tl +mp-1182694,K3TeP3O17,-5.9332130987,-1.4828748344,0.4228100936,0.4228100936,GGA,P2_1/c,A3B17C3D_mP96_14_3e_17e_3e_e:K-O-P-Te,96.0,A3B17C3D_mP96_14_3e_17e_3e_e:K-O-P-Te +mp-1188829,KTeP2,-4.2041042825,-0.4340268191,0.0942438609,0.0942438609,GGA,P2_1/m,AB2C_mP16_11_2e_2ef_2e:K-P-Te,16.0,AB2C_mP16_11_2e_2ef_2e:K-P-Te +mp-1200129,K3Te(PO7)2,-5.7669790142,-1.439241529,0.3584637714,0.3584637714,GGA,P-1,A3B14C2D_aP40_2_3i_14i_2i_ab:K-O-P-Te,40.0,A3B14C2D_aP40_2_3i_14i_2i_ab:K-O-P-Te +mp-1213449,K2Te(MoO5)3,-6.7150382481,-1.3768770678,0.3815799506,0.3815799506,GGA+U,P2_1/c,A2B3C15D_mP84_14_2e_3e_15e_e:K-Mo-O-Te,84.0,A2B3C15D_mP84_14_2e_3e_15e_e:K-Mo-O-Te +mp-1211929,K2TeMo2(PO7)2,-7.3664184543,-2.2647207887,0.0,-0.0084885141,GGA+U,Pbcn,A2B2C14D2E_oP84_60_d_d_7d_d_c:K-Mo-O-P-Te,84.0,A2B2C14D2E_oP84_60_d_d_7d_d_c:K-Mo-O-P-Te +mp-768876,Na2Bi2C4SO16,-6.9662502206,-1.745283818,0.08652837,0.08652837,GGA,Fddd,A2B4C2D16E_oF200_70_c_h_e_4h_b:Bi-C-Na-O-S,50.0,"Invalid WP multiplicities - A2B4C2D16E_oF200_70_c_h_e_27h_b:Bi-C-Na-O-S, expected Na2Bi2C4SO108 to be Na2Bi2C4SO16" +mp-770332,NaBiCSO7,-6.7361118136,-1.9038435626,0.0393522581,0.0393522581,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:Bi-C-Na-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:Bi-C-Na-O-S, expected NaBiCSO13 to be NaBiCSO7" +mp-769413,Na6Bi2C4SO16,-6.575242699,-1.8919923115,0.0918452044,0.0918452044,GGA,Fd-3,A2B4C6D16E_cF232_203_c_e_f_eg_b:Bi-C-Na-O-S,58.0,"Invalid WP multiplicities - A2B4C6D16E_cF232_203_c_e_f_6e7g_b:Bi-C-Na-O-S, expected Na6Bi2C4SO108 to be Na6Bi2C4SO16" +mp-776348,Na4Bi2C4SO16,-6.8622470431,-1.9300540561,0.030849168,0.030849168,GGA,P1,A2B4C4D16E_aP54_1_4a_8a_8a_32a_2a:Bi-C-Na-O-S,54.0,A2B4C4D16E_aP54_1_4a_8a_8a_32a_2a:Bi-C-Na-O-S +mp-775689,Na4Bi2C4SO16,-6.8492892003,-1.9170962132,0.0438070108,0.0438070108,GGA,P1,A2B4C4D16E_aP108_1_8a_16a_16a_64a_4a:Bi-C-Na-O-S,108.0,A2B4C4D16E_aP108_1_8a_16a_16a_64a_4a:Bi-C-Na-O-S +mp-768257,Na4Bi2C4SO16,-6.8517207022,-1.9195277152,0.0413755089,0.0413755089,GGA,F222,A2B4C4D16E_oF216_22_k_2k_efgh_8k_ac:Bi-C-Na-O-S,54.0,"Invalid WP multiplicities - A2B4C4D16E_oF216_22_k_4k_2e2fg2h_20k_ac:Bi-C-Na-O-S, expected Na7Bi2C8SO40 to be Na4Bi2C4SO16" +mp-779515,Na4Bi2C4SO16,-6.868826512,-1.936633525,0.0242696991,0.0242696991,GGA,Fddd,A2B4C4D16E_oF216_70_c_h_ef_4h_b:Bi-C-Na-O-S,54.0,"Invalid WP multiplicities - A2B4C4D16E_oF216_70_c_h_2e3f_21h_b:Bi-C-Na-O-S, expected Na10Bi2C4SO84 to be Na4Bi2C4SO16" +mp-1205090,MgB6(H3O4)4,-6.6831202862,-2.0677956406,0.0121655779,0.0121655779,GGA,P2_1/c,A6B12CD16_mP140_14_6e_12e_ad_16e:B-H-Mg-O,140.0,A6B12CD16_mP140_14_6e_12e_ab_16e:B-H-Mg-O +mp-1199979,MgB12(H2O)6,-4.82466807,0.0832618044,1.1898412412,1.1898412412,GGA,P2_1/c,A12B12CD6_mP62_14_6e_6e_a_3e:B-H-Mg-O,62.0,A12B12CD6_mP62_14_6e_6e_a_3e:B-H-Mg-O +mp-23748,MgBHO3,-7.0205789142,-2.6018349142,0.0,-0.01427998,GGA,P2_1/c,ABCD3_mP48_14_2e_2e_2e_6e:B-H-Mg-O,48.0,ABCD3_mP48_14_2e_2e_2e_6e:B-H-Mg-O +mp-1040080,LiMg30BO31,-6.2502251203,-2.9177796253,0.0862563599,0.0862563599,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:B-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:B-Li-Mg-O, expected LiMg38BO39 to be LiMg30BO31" +mp-1040125,LiMg30BO31,-6.2512229551,-2.9187774601000003,0.0852585252,0.0852585252,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:B-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:B-Li-Mg-O, expected LiMg38BO39 to be LiMg30BO31" +mp-1098422,LiMg30BO31,-6.2499485944,-2.9175030994,0.0865328858,0.0865328858,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:B-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:B-Li-Mg-O, expected LiMg38BO39 to be LiMg30BO31" +mp-1040207,LiMg30BO31,-6.2379013833,-2.9054558883,0.0985800969,0.0985800969,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:B-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:B-Li-Mg-O, expected LiMg38BO39 to be LiMg30BO31" +mp-1040077,LiMg30BO31,-6.2232908511,-2.8908453561,0.1131906291,0.1131906291,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_2ab2c2d2e2f:B-Li-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_2ab2c2d6e6f:B-Li-Mg-O, expected LiMg62BO63 to be LiMg30BO31" +mp-554719,Mg3B(HO2)3,-6.3820450327,-2.4329263924,0.0117419206,0.0117419206,GGA,P6_3/m,AB3C3D6_hP26_176_c_h_h_2h:B-H-Mg-O,26.0,"Invalid WP multiplicities - AB3C3D6_hP26_176_c_h_h_8h:B-H-Mg-O, expected Mg3B(HO8)3 to be Mg3B(HO2)3" +mp-1031148,LiMg6BO8,-6.2378463006,-2.6276272614,0.3499578186,0.3499578186,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Li-Mg-O, expected LiMg6BO12 to be LiMg6BO8" +mp-1031151,LiMg6BO8,-6.3337394569,-2.7235204177,0.2540646624,0.2540646624,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Li-Mg-O, expected LiMg6BO12 to be LiMg6BO8" +mp-733898,Mg3B11(H3O8)3,-7.030338463,-2.1892913757,0.2749034797,0.2749034797,GGA,Pbcn,A11B9C3D24_oP188_60_c5d_c4d_cd_12d:B-H-Mg-O,188.0,A11B9C3D24_oP188_60_c5d_c4d_cd_12d:B-H-Mg-O +mp-1201885,Mg2B12H24O35,-6.5108315145,-1.8818891676,0.1125941927,0.1125941927,GGA,R-3c,A12B24C2D35_hR438_167_2f_4f_c_ce5f:B-H-Mg-O,146.0,A12B24C2D35_hR438_167_2f_4f_c_ce5f:B-H-Mg-O +mp-706910,MgB2H6O7,-6.3712568095,-1.999866757,0.0281039625,0.0281039625,GGA,P4_2/n,A2B6CD7_tP64_86_g_3g_c_e3g:B-H-Mg-O,64.0,"Invalid WP multiplicities - A2B6CD7_tP64_86_g_19g_c_2e22g:B-H-Mg-O, expected MgB2(H19O23)2 to be MgB2H6O7" +mp-1196351,MgB6H14O17,-6.5651584483,-2.0054609905,0.0124528511,0.0124528511,GGA,P2_1/c,A6B14CD17_mP152_14_6e_14e_ad_17e:B-H-Mg-O,152.0,A6B14CD17_mP152_14_6e_14e_ad_17e:B-H-Mg-O +mp-1040099,LiMg30BO32,-6.3295624072,-2.9718943619,0.0630321326,0.0630321326,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Li-Mg-O, expected LiMg90BO80 to be LiMg30BO32" +mp-1040135,LiMg30BO32,-6.3081555706,-2.9504875254,0.0844389692,0.0844389692,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Li-Mg-O, expected LiMg110BO72 to be LiMg30BO32" +mp-1203384,MgB12(H3O)12,-5.0867022196,-0.7711057695,0.2380960881,0.2380960881,GGA,F4_132,A12B36CD12_cF488_210_h_3h_a_fg:B-H-Mg-O,122.0,A12B36CD12_cF488_210_h_3h_a_fg:B-H-Mg-O +mp-1035344,LiMg14BO15,-6.1656065319,-2.7722979511,0.1801206776,0.1801206776,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Li-Mg-O +mp-1035353,LiMg14BO15,-6.1274918539,-2.734183273,0.2182353556,0.2182353556,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Li-Mg-O +mp-1035354,LiMg14BO15,-6.1648194165,-2.7715108356,0.1809077931,0.1809077931,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-Li-Mg-O +mp-1035484,LiMg14BO15,-6.1463218055,-2.7530132246,0.199405404,0.199405404,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Li-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-Li-Mg-O +mp-540731,MgB4(H9O8)2,-6.1068728296,-1.7854898726,0.0085290409,0.0085290409,GGA,P-1,A4B18CD16_aP78_2_4i_18i_i_16i:B-H-Mg-O,78.0,A4B18CD16_aP78_2_4i_18i_i_16i:B-H-Mg-O +mp-1031116,LiMg6BO7,-5.9690638247,-2.4479427636,0.3960794163,0.3960794163,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:B-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:B-Li-Mg-O, expected LiMg10BO11 to be LiMg6BO7" +mp-1031160,LiMg6BO7,-5.9408478447,-2.4197267836,0.4242953963,0.4242953963,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:B-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:B-Li-Mg-O, expected LiMg10BO11 to be LiMg6BO7" +mp-1031178,LiMg6BO7,-5.8667662533,-2.3456451922,0.4983769876,0.4983769876,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:B-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:B-Li-Mg-O, expected LiMg10BO11 to be LiMg6BO7" +mp-1031185,LiMg6BO7,-5.8941884913,-2.3730674302,0.4709547496,0.4709547496,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:B-Li-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:B-Li-Mg-O, expected LiMg10BO11 to be LiMg6BO7" +mp-1195993,MgB6(H2O3)5,-6.8099901713,-2.1286082403,0.0250342385,0.0250342385,GGA,Pna2_1,A6B10CD15_oP128_33_6a_10a_a_15a:B-H-Mg-O,128.0,A6B10CD15_oP128_33_6a_10a_a_15a:B-H-Mg-O +mp-1035346,LiMg14BO16,-6.3303962322,-2.8885445223,0.1272681674,0.1272681674,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Li-Mg-O, expected LiMg18BO20 to be LiMg14BO16" +mp-1035090,LiMg14BO16,-6.2890287909,-2.847177081,0.1686356087,0.1686356087,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Li-Mg-O, expected LiMg30BO32 to be LiMg14BO16" +mp-24391,MgB3H15O13,-6.0401600655,-1.7640257129,0.0164860891,0.0164860891,GGA,P-1,A3B15CD13_aP64_2_3i_15i_i_13i:B-H-Mg-O,64.0,A3B15CD13_aP64_2_3i_15i_i_13i:B-H-Mg-O +mp-706339,MgB3H15O13,-6.0412631069,-1.7651287543,0.0153830477,0.0153830477,GGA,P2_1/c,A3B15CD13_mP128_14_3e_15e_e_13e:B-H-Mg-O,128.0,A3B15CD13_mP128_14_3e_15e_e_13e:B-H-Mg-O +mp-1195467,Li2MgB12(H4O7)4,-6.9409077880000005,-2.2229124038,0.0058031718,0.0058031718,GGA,P-1,A12B16C2DE28_aP59_2_6i_8i_i_a_14i:B-H-Li-Mg-O,59.0,A12B16C2DE28_aP59_2_6i_8i_i_a_14i:B-H-Li-Mg-O +mp-769110,LiCo2(SO4)3,-6.6731899294,-1.7901247854,0.0120962851,0.0120962851,GGA+U,P2_1/c,A2BC12D3_mP72_14_2e_e_12e_3e:Co-Li-O-S,72.0,"Invalid WP multiplicities - A2BC12D3_mP72_14_7e_e_45e_9e:Co-Li-O-S, expected LiCo7(SO5)9 to be LiCo2(SO4)3" +mp-768616,LiCo2(SO4)3,-6.6471525956,-1.7640874515,0.038133619,0.038133619,GGA+U,R-3c,A2BC12D3_hR108_167_c_b_2f_e:Co-Li-O-S,36.0,"Invalid WP multiplicities - A2BC12D3_hR108_167_c_b_9f_e:Co-Li-O-S, expected LiCo2(SO18)3 to be LiCo2(SO4)3" +mp-942704,LiCoHSO5,-6.4213211378,-1.8346700122,0.0131469457,0.0131469457,GGA+U,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:Co-H-Li-O-S,36.0,ABCD5E_mP36_14_e_e_e_5e_e:Co-H-Li-O-S +mp-1831091,Li(CoS2)2,-5.3400268579,-0.6726900115000001,0.2020171286,0.2020171286,GGA,Imma,A2BC4_oI28_74_ae_c_hi:Co-Li-S,14.0,"Invalid WP multiplicities - A2BC4_oI28_74_ae_c_3h3i:Co-Li-S, expected Li(CoS6)2 to be Li(CoS2)2" +mp-1097024,Li(CoS2)2,-5.4986558021,-0.8313189558,0.0433881843,0.0433881843,GGA,Fd-3m,A2BC4_cF56_227_c_b_e:Co-Li-S,14.0,A2BC4_cF56_227_c_b_e:Co-Li-S +mp-774464,LiCo(SO4)2,-6.5001071069,-1.7614695998,0.0707395793,0.0707395793,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Co-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Co-Li-O-S +mp-1176804,LiCo(SO4)2,-6.5069855958,-1.7683480887,0.0638610904,0.0638610904,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Co-Li-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Co-Li-O-S +mp-770638,Li2CoH12(SO7)2,-5.7085479068,-1.5419215274,0.0684488609,0.0684488609,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-Li-O-S,62.0,"Invalid WP multiplicities - AB12C2D14E2_mP62_14_a_21e_e_25e_e:Co-H-Li-O-S, expected Li2CoH42(SO25)2 to be Li2CoH12(SO7)2" +mp-768268,Li14Co2S9,-4.435817268,-1.309033087,0.0691841556,0.0691841556,GGA,P-3,A2B14C9_hP25_147_d_c2g_adg:Co-Li-S,25.0,"Invalid WP multiplicities - A2B14C9_hP25_147_d_c7g_a2d3g:Co-Li-S, expected Li44Co2S23 to be Li14Co2S9" +mp-767412,Li3(CoS2)4,-5.377736548,-0.8942939670000001,0.053256091,0.053256091,GGA,R3m,A4B3C8_hR45_160_ab_b_2a2b:Co-Li-S,15.0,"Invalid WP multiplicities - A4B3C8_hR45_160_ab_b_2a4b:Co-Li-S, expected Li3(Co2S7)2 to be Li3(CoS2)4" +mp-777549,Li5CoHO4,-5.4288035952,-1.807675139,0.0505896341,0.0505896341,GGA+U,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Co-H-Li-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Co-H-Li-O, expected Li34Co5H2O27 to be Li5CoHO4" +mp-1194281,Li2Co(SO4)2,-6.5713288012,-2.050361651,0.0,-0.0012546881,GGA+U,P2_1/c,AB2C8D2_mP26_14_a_e_4e_e:Co-Li-O-S,26.0,AB2C8D2_mP26_14_a_e_4e_e:Co-Li-O-S +mp-850927,Li2Co(SO4)2,-6.5626905062,-2.0417233561,0.0086382949,0.0073836068,GGA+U,Pbca,AB2C8D2_oP104_61_c_2c_8c_2c:Co-Li-O-S,104.0,"Invalid WP multiplicities - AB2C8D2_oP104_61_c_5c_29c_5c:Co-Li-O-S, expected Li5CoS5O29 to be Li2Co(SO4)2" +mp-770611,Li2CoH8(SO6)2,-5.8430755332,-1.6150300869,0.0741362297,0.0741362297,GGA+U,P2_1/c,AB8C2D12E2_mP50_14_a_4e_e_6e_e:Co-H-Li-O-S,50.0,"Invalid WP multiplicities - AB8C2D12E2_mP50_14_a_13e_e_21e_e:Co-H-Li-O-S, expected Li2CoH26(SO21)2 to be Li2CoH8(SO6)2" +mp-752928,LiCoS2,-5.2533656488,-0.9308305499,0.0804570612,0.0804570612,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Co-Li-S,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Co-Li-S, expected LiCoS3 to be LiCoS2" +mp-2468815,LiCoS2,-5.269711095,-0.9471759961,0.064111615,0.064111615,GGA,P2_1/m,ABC2_mP8_11_e_e_2e:Co-Li-S,8.0,"Invalid WP multiplicities - ABC2_mP8_11_e_e_3e:Co-Li-S, expected LiCoS3 to be LiCoS2" +mp-1176780,LiCoS2,-5.3313095613,-1.0087744624,0.0025131487,0.0025131487,GGA,P2/c,ABC2_mP8_13_e_f_g:Co-Li-S,8.0,ABC2_hP4_164_a_b_d:Co-Li-S +mp-757100,LiCoS2,-5.284615595,-0.9620804961,0.049207115,0.049207115,GGA,R3m,ABC2_hR12_160_a_a_2a:Co-Li-S,4.0,ABC2_hR12_160_a_a_2a:Co-Li-S +mp-753946,LiCoS2,-5.3312854425000005,-1.0087503436,0.0025372675,0.0025372675,GGA,P-3m1,ABC2_hP4_164_a_b_d:Co-Li-S,4.0,ABC2_hP4_164_a_b_d:Co-Li-S +mp-1176776,LiCoS2,-5.2813028475,-0.9587677486,0.0525198625,0.0525198625,GGA,Fd-3m,ABC2_cF64_227_c_d_e:Co-Li-S,16.0,ABC2_cF64_227_c_d_e:Co-Li-S +mp-780159,LiCoH8(SO6)2,-5.8492220169,-1.5245464631,0.0508782043,0.0508782043,GGA+U,Pc,AB8CD12E2_mP48_7_a_8a_a_12a_2a:Co-H-Li-O-S,48.0,"Invalid WP multiplicities - AB8CD12E2_mP48_7_a_16a_a_24a_4a:Co-H-Li-O-S, expected LiCoH16(SO6)4 to be LiCoH8(SO6)2" +mp-768659,Li2Co2(SO4)3,-6.6433101568,-1.9167788169,0.0362827928,0.0362827928,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Co-Li-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Co-Li-O-S, expected Li2Co2S5O42 to be Li2Co2(SO4)3" +mp-778578,Li2Co2(SO4)3,-6.6666931389,-1.940161799,0.0128998107,0.0128998107,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Co-Li-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Co-Li-O-S, expected LiCo(SO7)3 to be Li2Co2(SO4)3" +mp-765354,Li2Co2(SO4)3,-6.6471629876,-1.9206316476,0.032429962,0.032429962,GGA+U,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Co-Li-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_5c_5c_45c_9c:Co-Li-O-S, expected Li5Co5(SO5)9 to be Li2Co2(SO4)3" +mp-706337,K2TiCr(PO4)3,-7.8548505498,-2.8354026848,0.0123517426,0.0059925826,GGA+U,P1,AB2C12D3E_aP152_1_8a_16a_96a_24a_8a:Cr-K-O-P-Ti,152.0,AB2C12D3E_aP152_1_8a_16a_96a_24a_8a:Cr-K-O-P-Ti +mp-1224541,K2TiCr(PO4)3,-7.8672022924,-2.8477544273,0.0,-0.0063591599,GGA+U,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Cr-K-O-P-Ti,76.0,AB2C12D3E_cP76_198_a_2a_4b_b_a:Cr-K-O-P-Ti +mp-1192404,RbH2(IO3)3,-4.865369053,-1.0849501454,0.0,-0.0072060533,GGA,P1,A2B3C9D_aP30_1_4a_6a_18a_2a:H-I-O-Rb,30.0,A2B3C9D_aP30_1_4a_6a_18a_2a:H-I-O-Rb +mp-1196732,RbH2(IO3)3,-4.8645200850000005,-1.0841011774,0.000848968,-0.0063570853,GGA,P2_1/c,A2B3C9D_mP180_14_6e_9e_27e_3e:H-I-O-Rb,180.0,A2B3C9D_mP180_14_6e_9e_27e_3e:H-I-O-Rb +mp-634062,RbCdH2I3O,-3.4924131013,-1.2354551408,0.0141997303,0.0141997303,GGA,Cc,AB2C3DE_mC32_9_a_2a_3a_a_a:Cd-H-I-O-Rb,16.0,AB2C3DE_mC32_9_a_2a_3a_a_a:Cd-H-I-O-Rb +mp-1044397,TiZnP3WO12,-8.0240381397,-2.5955082557,0.0603471426,0.0603471426,GGA+U,R3c,A12B3CDE_hR108_161_4b_b_a_a_a:O-P-Ti-W-Zn,36.0,"Invalid WP multiplicities - A12B3CDE_hR108_161_18b_b_a_a_a:O-P-Ti-W-Zn, expected TiZnP3WO54 to be TiZnP3WO12" +mp-1194949,KFeNi(PO4)2,-7.4113320621,-2.3528188667,0.0,-0.0049185321,GGA+U,P2_1/c,ABCD8E2_mP52_14_e_e_e_8e_2e:Fe-K-Ni-O-P,52.0,ABCD8E2_mP52_14_e_e_e_8e_2e:Fe-K-Ni-O-P +mp-1211874,K9Gd3Si12(O16F)2,-8.0094690459,-3.1914902476,0.0,-0.0255302691,GGA,P-1,A2B3C9D32E12_aP58_2_i_bi_d4i_16i_6i:F-Gd-K-O-Si,58.0,A2B3C9D32E12_aP58_2_i_bi_d4i_16i_6i:F-Gd-K-O-Si +mp-40134,ZnSiH12(OF)6,-5.2800117123,-1.874366318,0.0,-0.0090572281,GGA,R-3,A6B12C6DE_hR78_148_f_2f_f_a_b:F-H-O-Si-Zn,26.0,"Invalid WP multiplicities - A6B12C6DE_hR78_148_f_9f_f_a_b:F-H-O-Si-Zn, expected ZnSiH54(OF)6 to be ZnSiH12(OF)6" +mp-1195062,K2Na2H16XeO14,-4.7991669453,-1.129473193,0.0890433527,0.0890433527,GGA,C2/c,A16B2C2D14E_mC140_15_8f_f_2e_7f_e:H-K-Na-O-Xe,70.0,A16B2C2D14E_mC140_15_8f_f_2e_7f_e:H-K-Na-O-Xe +mp-1225422,Fe5Bi4O13F,-7.1243662358,-1.7360838539,0.0254023577,0.0254023577,GGA+U,P4_22_12,A4BC5D13_tP92_94_2g_d_ab2cg_def5g:Bi-F-Fe-O,92.0,"Invalid WP multiplicities - A4BC5D13_tP92_94_6g_d_ab3cg_d2e3f13g:Bi-F-Fe-O, expected Fe6Bi12O32F to be Fe5Bi4O13F" +mp-1212910,FeBi6P2(O7F)2,-6.6996316652,-2.0829852294,0.0724535028,0.0724535028,GGA+U,C2/c,A6B2CD14E2_mC100_15_3f_f_a_2e6f_f:Bi-F-Fe-O-P,50.0,A6B2CD14E2_mC100_15_3f_f_a_2e6f_f:Bi-F-Fe-O-P +mp-40143,Cs2KZrOF5,-5.979715203,-3.384416416,0.0,-0.0027821528,GGA,I4mm,A2B5CDE_tI20_107_b_ac_a_a_a:Cs-F-K-O-Zr,10.0,"Invalid WP multiplicities - A2B5CDE_tI20_107_b_a2c_a_a_a:Cs-F-K-O-Zr, expected Cs2KZrOF9 to be Cs2KZrOF5" +mp-1224512,K4PdPt(NO2)8,-6.4597681975,-1.0753818742,0.0601658201,0.0601658201,GGA,P2_1/c,A4B8C16DE_mP60_14_2e_4e_8e_a_b:K-N-O-Pd-Pt,60.0,A4B8C16DE_mP60_14_2e_4e_8e_a_b:K-N-O-Pd-Pt +mp-1101685,NbV3Fe2(PO4)6,-8.3007588172,-2.5926085456,0.0577534176,0.0577534176,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Fe-Nb-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Fe-Nb-O-P-V, expected NbV3Fe2(PO10)6 to be NbV3Fe2(PO4)6" +mp-759273,NbV2Fe3(PO4)6,-8.2153909722,-2.5242930578,0.0649734109,0.0649734109,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Nb-O-P-V,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_20b_2b_2a:Fe-Nb-O-P-V, expected NbV2Fe3(PO10)6 to be NbV2Fe3(PO4)6" +mp-1194662,K3TbGe3(HO5)2,-6.4191603512,-2.3093189981,0.0,-0.0478231784,GGA,Pnma,A3B2C3D10E_oP76_62_cd_d_cd_2c4d_c:Ge-H-K-O-Tb,76.0,A3B2C3D10E_oP76_62_cd_d_cd_2c4d_c:Ge-H-K-O-Tb +mp-542045,UTlH(SeO4)2,-6.885362966,-1.9921235931,0.0,-0.0480238624,GGA,P2_1/c,AB8C2DE_mP52_14_e_8e_2e_e_e:H-O-Se-Tl-U,52.0,AB8C2DE_mP52_14_e_8e_2e_e_e:H-O-Se-Tl-U +mp-1078777,U2TlSe6,-6.3330017578,-1.2306759764,0.0,-0.0490461103,GGA,Immm,A6BC2_oI18_71_em_a_f:Se-Tl-U,9.0,A6BC2_oI18_71_em_a_f:Se-Tl-U +mp-976876,K2PtC2,-5.44054436,-0.0906919202,0.0,-0.075043403,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-K-Pt,5.0,A2B2C_hP5_164_c_d_a:C-K-Pt +mp-637196,K2Pt(CN)4,-7.4621407277,-0.3209977383,0.0302998407,0.0302998407,GGA,Pccn,A4B2C4D_oP44_56_2e_e_2e_c:C-K-N-Pt,44.0,"Invalid WP multiplicities - A4B2C4D_oP44_56_8e_e_13e_c:C-K-N-Pt, expected K2Pt(C8N13)2 to be K2Pt(CN)4" +mp-568299,K2PtC4(BrN2)2,-6.6853742381,-0.4039411962,0.2331777919,0.2331777919,GGA,P2_1/c,A2B4C2D4E_mP26_14_e_2e_e_2e_a:Br-C-K-N-Pt,26.0,"Invalid WP multiplicities - A2B4C2D4E_mP26_14_e_5e_e_5e_a:Br-C-K-N-Pt, expected K2PtC10(BrN5)2 to be K2PtC4(BrN2)2" +mp-1223319,Li3U7(AsO7)5,-8.4644423372,-2.8405156254,0.0030515188,0.0030515188,GGA,Pmm2,A5B3C35D7_oP50_25_abc2d_abc_2a2b2cd3e4f3g4h_a2b2c2d:As-Li-O-U,50.0,A5B3C35D7_oP50_25_abc2d_abc_2a2b2cd3e4f3g4h_a2b2c2d:As-Li-O-U +mp-1180608,LiUAs(H4O5)2,-6.3924944271,-1.8940112484,0.000538555,0.000538555,GGA,P4/n,AB8CD10E_tP42_85_a_2g_b_2c2g_c:As-H-Li-O-U,42.0,AB8CD10E_tP42_85_a_2g_b_2c2g_c:As-H-Li-O-U +mp-558717,LiUAsO6,-7.9838784725,-2.7017025226,0.0095083247,0.0083561747,GGA,P-1,ABC6D_aP36_2_2i_2i_12i_2i:As-Li-O-U,36.0,"Invalid WP multiplicities - ABC6D_aP36_2_3i_2i_23i_4i:As-Li-O-U, expected Li2U4As3O23 to be LiUAsO6" +mp-558943,LiUAsO6,-7.9933867972,-2.7112108473000003,0.0,-0.00115215,GGA,P-1,ABC6D_aP18_2_i_i_6i_be:As-Li-O-U,18.0,"Invalid WP multiplicities - ABC6D_aP18_2_i_i_12i_be:As-Li-O-U, expected LiUAsO12 to be LiUAsO6" +mp-1223108,LiU4As3O20,-8.5324900061,-2.8187152794,0.0,-0.0074178555,GGA,I4_1md,A3BC20D4_tI112_109_3a_a_4a8b_4a:As-Li-O-U,56.0,A3BC20D4_tI112_109_3a_a_4a8b_4a:As-Li-O-U +mp-1213397,K2Be3Co2F12,-5.6574441383,-2.9946325757,0.1041679039,0.1041679039,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-K,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-K +mp-1212259,K2Be2Co(O3F4)2,-4.9256437489,-1.6740697791,0.4924741751,0.4924741751,GGA+U,P2_1/c,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-K-O,38.0,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-K-O +mp-774465,LiMn(SO4)2,-6.9049056558,-1.9951266906,0.0122804828,0.0122804828,GGA+U,P1,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Mn-O-S,36.0,ABC8D2_aP36_1_3a_3a_24a_6a:Li-Mn-O-S +mp-780520,LiMn(SO4)2,-6.9043364652,-1.9945575,0.0128496734,0.0128496734,GGA+U,Pc,ABC8D2_mP96_7_4a_4a_32a_8a:Li-Mn-O-S,96.0,ABC8D2_mP96_7_4a_4a_32a_8a:Li-Mn-O-S +mp-831077,Li6Mn2B4SO16,-7.2053334722,-2.3853816062,0.0771566403,0.0771566403,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:B-Li-Mn-O-S,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_4e3g_b:B-Li-Mn-O-S, expected Li6Mn2B4SO52 to be Li6Mn2B4SO16" +mp-768742,Li2Mn2(SO4)3,-7.0775491179,-2.134839094,0.0127949032,0.0127949032,GGA+U,C2/c,A2B2C12D3_mC76_15_f_f_6f_ef:Li-Mn-O-S,38.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_f_21f_e2f:Li-Mn-O-S, expected Li2Mn2S5O42 to be Li2Mn2(SO4)3" +mp-777817,Li2Mn2(SO4)3,-7.0855309636,-2.1428209397,0.0048130575,0.0048130575,GGA+U,Pbcn,A2B2C12D3_oP76_60_d_d_6d_cd:Li-Mn-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_60_d_d_21d_2c2d:Li-Mn-O-S, expected LiMn(SO7)3 to be Li2Mn2(SO4)3" +mp-704145,Li2Mn2(SO4)3,-7.0826128229,-2.139902799,0.0077311982,0.0077311982,GGA+U,Pbca,A2B2C12D3_oP152_61_2c_2c_12c_3c:Li-Mn-O-S,152.0,"Invalid WP multiplicities - A2B2C12D3_oP152_61_11c_7c_89c_15c:Li-Mn-O-S, expected Li11Mn7S15O89 to be Li2Mn2(SO4)3" +mp-768898,LiMn2(SO4)3,-7.1298098301,-2.0185560753,0.0036077222,0.0036077222,GGA+U,P2_1/c,AB2C12D3_mP72_14_e_2e_12e_3e:Li-Mn-O-S,72.0,"Invalid WP multiplicities - AB2C12D3_mP72_14_e_7e_45e_9e:Li-Mn-O-S, expected LiMn7(SO5)9 to be LiMn2(SO4)3" +mp-768608,LiMn2(SO4)3,-7.1176648489,-2.0064110941,0.0157527035,0.0157527035,GGA+U,R-3c,AB2C12D3_hR108_167_b_c_2f_e:Li-Mn-O-S,36.0,"Invalid WP multiplicities - AB2C12D3_hR108_167_b_c_9f_e:Li-Mn-O-S, expected LiMn2(SO18)3 to be LiMn2(SO4)3" +mp-1193172,Li2Mn(SO4)2,-6.8737743631,-2.1948304824,0.0,-0.0058173229,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Li-Mn-O-S,52.0,A2BC8D2_mP26_14_e_a_4e_e:Li-Mn-O-S +mp-758969,Li2Mn(SO4)2,-6.8602412444,-2.1812973637,0.0135331187,0.0077157958,GGA+U,Pbca,A2BC8D2_oP104_61_2c_c_8c_2c:Li-Mn-O-S,104.0,"Invalid WP multiplicities - A2BC8D2_oP104_61_5c_c_29c_5c:Li-Mn-O-S, expected Li5MnS5O29 to be Li2Mn(SO4)2" +mp-1235338,LiMn2(SO5)2,-7.095768402,-1.8975857155,0.0696756504,0.0696756504,GGA+U,P1,AB2C10D2_aP15_1_a_2a_10a_2a:Li-Mn-O-S,15.0,AB2C10D2_aP15_1_a_2a_10a_2a:Li-Mn-O-S +mp-699471,Mo3H9I3(ClO)4,-4.9813208614,-0.8651258497000001,0.2816522223,0.2816522223,GGA+U,P2_1/c,A4B9C3D3E4_mP92_14_4e_9e_3e_3e_4e:Cl-H-I-Mo-O,92.0,A4B9C3D3E4_mP92_14_4e_9e_3e_3e_4e:Cl-H-I-Mo-O +mp-1205029,Rb2NdH8N5O19,-6.2316742676,-1.3876575797,0.0152680933,0.0152680933,GGA,Cc,A8B5CD19E2_mC140_9_8a_5a_a_19a_2a:H-N-Nd-O-Rb,70.0,A8B5CD19E2_mC140_9_8a_5a_a_19a_2a:H-N-Nd-O-Rb +mp-1195270,Sr2P7I,-4.989048588,-0.7145015077,0.0,-0.0187452554,GGA,P2_13,AB7C2_cP40_198_a_a2b_2a:I-P-Sr,40.0,AB7C2_cP40_198_a_a2b_2a:I-P-Sr +mp-1233688,Sr8MgP4(IO4)4,-6.6139104379,-2.9227006657,0.1348823437,0.1348823437,GGA,P1,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr,33.0,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr +mp-1233897,Sr8MgP4(IO4)4,-6.6237738715,-2.9325640993,0.1250189101,0.1250189101,GGA,P1,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr,33.0,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr +mp-1233937,Sr8MgP4(IO4)4,-6.6473984273,-2.9561886551,0.1013943543,0.1013943543,GGA,P1,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr,33.0,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr +mp-1234103,Sr8MgP4(IO4)4,-6.6163895836,-2.9251798114,0.132403198,0.132403198,GGA,P1,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr,33.0,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr +mp-1234747,Sr8MgP4(IO4)4,-6.6353011027,-2.9440913305,0.1134916789,0.1134916789,GGA,P1,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr,33.0,A4BC16D4E8_aP33_1_4a_a_16a_4a_8a:I-Mg-O-P-Sr +mp-1202046,Sr2PIO4,-6.8672605375,-3.1107092115,0.0,-0.0381454692,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:I-O-P-Sr,32.0,AB4CD2_mP32_14_e_4e_e_2e:I-O-P-Sr +mp-1212401,K2VAgS2,-4.1753863679,-0.4403597511,0.5875112924,0.5875112924,GGA,Fddd,AB2C2D_oF96_70_c_h_h_d:Ag-K-S-V,24.0,AB2C2D_oF96_70_c_h_h_d:Ag-K-S-V +mp-666157,K2VAgS4,-5.0235806031,-1.1881981738,0.0081487969,-0.0314202774,GGA,P1,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-S-V,16.0,AB2C4D_aP16_1_2a_4a_8a_2a:Ag-K-S-V +mp-8900,K2VAgS4,-5.0317294,-1.1963469706,0.0,-0.0395690742,GGA,Fddd,AB2C4D_oF64_70_a_e_h_b:Ag-K-S-V,16.0,AB2C4D_oF64_70_a_e_h_b:Ag-K-S-V +mp-2229952,K4MgV2(AgS4)2,-4.8224878688,-1.11858205,0.1408619929,0.1408619929,GGA,C2,A2B4CD8E2_mC34_5_ab_2c_a_4c_ab:Ag-K-Mg-S-V,17.0,"Invalid WP multiplicities - A2B4CD8E2_mC34_5_ab_4c_a_6c_ab:Ag-K-Mg-S-V, expected K8MgV2(AgS6)2 to be K4MgV2(AgS4)2" +mp-2240947,K4MgV2(AgS4)2,-4.8563123371,-1.1524065183,0.1070375247,0.1070375247,GGA,C2,A2B4CD8E2_mC34_5_ab_2a2b_a_4c_ab:Ag-K-Mg-S-V,17.0,"Invalid WP multiplicities - A2B4CD8E2_mC34_5_ab_2a2b_a_6c_ab:Ag-K-Mg-S-V, expected K4MgV2(AgS6)2 to be K4MgV2(AgS4)2" +mp-1517457,KCaEuWO6,-8.224234775,-2.6231084626,0.1661296894,0.1661296894,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Eu-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Eu-K-O-W +mp-1517771,KCaEuWO6,-8.222432057,-2.6213057446,0.1679324074,0.1679324074,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ca-Eu-K-O-W +mp-686464,Ca10P6SO24,-7.5627873813,-3.2849143868,0.0,-0.0033519268,GGA,P2_1,A10B24C6D_mP82_4_10a_24a_6a_a:Ca-O-P-S,82.0,"Invalid WP multiplicities - A10B24C6D_mP82_4_20a_46a_10a_a:Ca-O-P-S, expected Ca20P10SO46 to be Ca10P6SO24" +mp-1227747,Ca10P6SO24,-7.5600472312,-3.2821742367,0.0027401501,-0.0006117766,GGA,P-3,A10B24C6D_hP41_147_2dg_4g_g_a:Ca-O-P-S,41.0,"Invalid WP multiplicities - A10B24C6D_hP41_147_4dg_6g_g_a:Ca-O-P-S, expected Ca14P6SO36 to be Ca10P6SO24" +mp-1227176,CaEuS2,-7.521724672499999,-2.3878493191,0.01584516,0.01584516,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:Ca-Eu-S,4.0,ABC2_tP4_123_a_d_bc:Ca-Eu-S +mp-1227261,CaEuS2,-7.5233530525,-2.3894776991,0.01421678,0.01421678,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Eu-S,4.0,ABC2_hR12_166_a_b_c:Ca-Eu-S +mp-677016,Ca18Eu2P12(SO16)3,-7.7301080171,-3.2551099537,0.0,-0.0068293973,GGA,P1,A18B2C48D12E3_aP83_1_18a_2a_48a_12a_3a:Ca-Eu-O-P-S,83.0,A18B2C48D12E3_aP83_1_18a_2a_48a_12a_3a:Ca-Eu-O-P-S +mp-9789,CaPS3,-5.3232977715,-1.357647374,0.0,-0.0924224018,GGA,P2_1/c,ABC3_mP20_14_e_e_3e:Ca-P-S,20.0,ABC3_mP20_14_e_e_3e:Ca-P-S +mp-555946,Pb2CO3F2,-6.5494514319,-2.1348284692,0.0023179716,0.0023179716,GGA,Pbcn,AB2C3D2_oP32_60_c_d_cd_d:C-F-O-Pb,32.0,"Invalid WP multiplicities - AB2C3D2_oP32_60_c_d_3c3d_d:C-F-O-Pb, expected Pb2CO9F2 to be Pb2CO3F2" +mp-560874,BaPb2C2(O3F)2,-7.0650082938,-2.3492628887,0.0039561381,0.0039561381,GGA,R-3m,AB2C2D6E2_hR39_166_a_c_c_h_c:Ba-C-F-O-Pb,13.0,AB2C2D6E2_hR39_166_a_c_c_h_c:Ba-C-F-O-Pb +mp-728669,LiMoH6NO5,-6.0390410072,-1.3118361695,0.1205660679,0.1205660679,GGA+U,Pbca,A6BCDE5_oP112_61_6c_c_c_c_5c:H-Li-Mo-N-O,112.0,A6BCDE5_oP112_61_6c_c_c_c_5c:H-Li-Mo-N-O +mp-1192676,La3CoW(SO2)3,-8.1422005893,-2.644775503,0.1116146214,0.1116146214,GGA+U,P6_3/m,AB3C6D3E_hP28_176_b_h_i_h_c:Co-La-O-S-W,28.0,AB3C6D3E_hP28_176_b_h_i_h_c:Co-La-O-S-W +mp-740757,Mg2Cu2P2(H4O5)3,-5.9489779098,-1.7932621019,0.016821495,0.016821495,GGA,C2/c,A2B12C2D15E2_mC132_15_f_6f_f_e7f_f:Cu-H-Mg-O-P,66.0,A2B12C2D15E2_mC132_15_f_6f_f_e7f_f:Cu-H-Mg-O-P +mp-759001,Mg2Cu2P2(H4O5)3,-5.9494688764,-1.7937530684,0.0163305285,0.0163305285,GGA,Cc,A2B12C2D15E2_mC132_9_2a_12a_2a_15a_2a:Cu-H-Mg-O-P,66.0,"Invalid WP multiplicities - A2B12C2D15E2_mC132_15_f_18f_f_2e26f_f:Cu-H-Mg-O-P, expected MgCuP(H2O3)9 to be Mg2Cu2P2(H4O5)3" +mp-560303,BaCa2C2(O3F)2,-7.4883313019,-3.0352085413,0.0060783777,0.0060783777,GGA,Cmcm,AB2C2D2E6_oC52_63_c_g_e_f_gh:Ba-C-Ca-F-O,26.0,"Invalid WP multiplicities - AB2C2D2E6_oC52_63_c_g_e_f_2g2h:Ba-C-Ca-F-O, expected BaCa2C2(O6F)2 to be BaCa2C2(O3F)2" +mp-2227782,K4Mg(TiS3)2,-5.0322932785,-1.4437118113,0.1057004023,0.1057004023,GGA,P1,A4BC6D2_aP13_1_4a_a_6a_2a:K-Mg-S-Ti,13.0,A4BC6D2_aP13_1_4a_a_6a_2a:K-Mg-S-Ti +mp-2219493,K4Mg(TiS3)2,-4.9378868254,-1.3493053583,0.2001068554,0.2001068554,GGA,C2,A4BC6D2_mC26_5_2c_a_ab2c_ab:K-Mg-S-Ti,13.0,"Invalid WP multiplicities - A4BC6D2_mC26_5_4c_a_ab2c_ab:K-Mg-S-Ti, expected K8Mg(TiS3)2 to be K4Mg(TiS3)2" +mp-2224737,K2MgTi2(PS5)2,-5.4400096112,-1.2162939842,0.0914709589,0.0914709589,GGA,C2/m,A2BC2D10E2_mC34_12_i_a_i_3ij_h:K-Mg-P-S-Ti,17.0,"Invalid WP multiplicities - A2BC2D10E2_aP17_2_i_a_i_9i_i:K-Mg-P-S-Ti, expected K2MgTi2(PS9)2 to be K2MgTi2(PS5)2" +mp-560977,KTiPS5,-5.6309957475,-1.2433153969,0.0,-0.0356235734,GGA,C2/m,ABC5D_mC32_12_i_i_3ij_g:K-P-S-Ti,16.0,"Invalid WP multiplicities - ABC5D_mC32_12_i_i_5i4j_g:K-P-S-Ti, expected KTiPS13 to be KTiPS5" +mp-1211873,K3Ti2P5S18,-5.3301109877,-1.0213684516,0.0,-0.0092038013,GGA,C2/c,A3B5C18D2_mC112_15_af_e2f_9f_f:K-P-S-Ti,56.0,A3B5C18D2_mC112_15_cf_e2f_9f_f:K-P-S-Ti +mp-1035646,KMg14SbO16,-6.0364056725,-2.6992075392,0.2089946327,0.2089946327,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:K-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:K-Mg-O-Sb, expected KMg18SbO20 to be KMg14SbO16" +mp-1035669,KMg14SbO16,-6.0462918272,-2.7090936938,0.199108478,0.199108478,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:K-Mg-O-Sb,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:K-Mg-O-Sb, expected KMg30SbO32 to be KMg14SbO16" +mp-2217830,K2Mg(SbO3)2,-5.7628469073,-1.9665548444,0.2087038136,0.2087038136,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:K-Mg-O-Sb,11.0,A2BC6D2_hR33_148_c_a_f_c:K-Mg-O-Sb +mp-2217366,K2Mg(SbO3)2,-5.7395133982,-1.9432213353,0.2320373227,0.2320373227,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:K-Mg-O-Sb,11.0,A2BC6D2_hR33_148_c_a_f_c:K-Mg-O-Sb +mp-2228985,K6Mg(SbO4)2,-5.1623150059,-1.8626570116,0.1356643904,0.1356643904,GGA,P1,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-O-Sb,17.0,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-O-Sb +mp-2229715,K6Mg(SbO4)2,-5.1422192406,-1.8425612464,0.1557601557,0.1557601557,GGA,P1,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-O-Sb,17.0,A6BC8D2_aP17_1_6a_a_8a_2a:K-Mg-O-Sb +mp-1040192,KMg30SbO32,-6.1891416889,-2.8838004319,0.0973208037,0.0973208037,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:K-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:K-Mg-O-Sb, expected KMg90SbO80 to be KMg30SbO32" +mp-1040167,KMg30SbO32,-6.1947303725,-2.8893891155,0.0917321201,0.0917321201,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:K-Mg-O-Sb,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:K-Mg-O-Sb, expected KMg110SbO72 to be KMg30SbO32" +mp-1030951,KMg6SbO8,-5.75057294,-2.3496610539,0.4127029903,0.4127029903,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:K-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:K-Mg-O-Sb, expected KMg6SbO12 to be KMg6SbO8" +mp-1030963,KMg6SbO8,-5.8254672106,-2.4245553246,0.3378087197,0.3378087197,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:K-Mg-O-Sb,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:K-Mg-O-Sb, expected KMg6SbO12 to be KMg6SbO8" +mp-2219473,KMgSb(PO4)2,-6.9126457915,-2.5095846423,0.1489139483,0.1489139483,GGA,R3,ABC8D2E_hR39_146_a_a_2a2b_2a_a:K-Mg-O-P-Sb,13.0,"Invalid WP multiplicities - ABC8D2E_hR39_146_a_a_2a5b_2a_a:K-Mg-O-P-Sb, expected KMgSbP2O17 to be KMgSb(PO4)2" +mp-2218922,KMgSb(PO4)2,-6.9044503054,-2.5013891561,0.1571094344,0.1571094344,GGA,R3,ABC8D2E_hR39_146_a_a_2a2b_2a_a:K-Mg-O-P-Sb,13.0,"Invalid WP multiplicities - ABC8D2E_hR39_146_a_a_2a5b_2a_a:K-Mg-O-P-Sb, expected KMgSbP2O17 to be KMgSb(PO4)2" +mp-2228147,KMgSb(PO4)2,-6.9612343746,-2.5581732254,0.1003253652,0.1003253652,GGA,R3,ABC8D2E_hR39_146_a_a_2a2b_2a_a:K-Mg-O-P-Sb,13.0,"Invalid WP multiplicities - ABC8D2E_hR39_146_a_a_2a5b_2a_a:K-Mg-O-P-Sb, expected KMgSbP2O17 to be KMgSb(PO4)2" +mp-1105235,BH(PbO2)2,-6.5714605887,-1.9109397386,0.0,-0.0072810889,GGA,C2/m,ABC4D2_mC32_12_i_i_g3i_2i:B-H-O-Pb,16.0,ABC4D2_mC32_12_i_i_g3i_2i:B-H-O-Pb +mp-707942,B5H2Pb2O11,-7.3780861956,-2.2770221502,0.0528953637,0.0528953637,GGA,P2_1/c,A5B2C11D2_mP80_14_5e_2e_11e_2e:B-H-O-Pb,80.0,A5B2C11D2_mP80_14_5e_2e_11e_2e:B-H-O-Pb +mp-1210485,NaB10H3Pb4O21,-7.1993933995,-2.1474530827,0.2664319552,0.2664319552,GGA,Pnn2,A10B3CD21E4_oP78_34_5c_bc_a_a10c_2c:B-H-Na-O-Pb,78.0,A10B3CD21E4_oP78_34_5c_bc_a_a10c_2c:B-H-Na-O-Pb +mp-1200630,B8H4PbO15,-7.6252849906,-2.4496058447,0.0,-0.023642847,GGA,P2_1/c,A8B4C15D_mP112_14_8e_4e_15e_e:B-H-O-Pb,112.0,A8B4C15D_mP112_14_8e_4e_15e_e:B-H-O-Pb +mp-1204374,K2Cr2Cu(PO7)2,-6.9679831224,-1.934347576,0.4732658033,0.4732658033,GGA+U,P2_1/c,A2BC2D14E2_mP42_14_e_a_e_7e_e:Cr-Cu-K-O-P,42.0,A2BC2D14E2_mP42_14_e_a_e_7e_e:Cr-Cu-K-O-P +mp-1213921,CoBi6P2(O7F)2,-6.6121892188,-2.0500109196,0.0883135436,0.0883135436,GGA+U,C2/c,A6BC2D14E2_mC100_15_3f_a_f_2e6f_f:Bi-Co-F-O-P,50.0,A6BC2D14E2_mC100_15_3f_a_f_2e6f_f:Bi-Co-F-O-P +mp-1030015,Mg3WN4,-7.2327427275,-0.8446239675,0.0,-0.0826987708,GGA,P31c,A3B4C_hP144_159_a2b8c_12c_3c:Mg-N-W,288.0,A3B4C_hP144_159_2a4b16c_24c_6c:Mg-N-W +mp-1444353,Mg2WN2,-7.111141916,-0.54480588,0.2041671829,0.2041671829,GGA,C2/m,A2B2C_mC20_12_2i_2i_i:Mg-N-W,10.0,A2B2C_mC20_12_2i_2i_i:Mg-N-W +mp-2231234,Na8MgW2(NO)4,-5.7752397595,-0.9736883172,0.327714281,0.327714281,GGA+U,P1,AB4C8D4E2_aP19_1_a_4a_8a_4a_2a:Mg-N-Na-O-W,19.0,AB4C8D4E2_aP19_1_a_4a_8a_4a_2a:Mg-N-Na-O-W +mp-1421629,Mg(WN)2,-8.922569738,-0.084663666,0.5096066607,0.5096066607,GGA,P-4m2,AB2C2_tP5_115_a_g_f:Mg-N-W,5.0,AB2C2_tP5_115_a_g_f:Mg-N-W +mp-773603,Na3V(BO3)2,-7.1525302535,-2.4783304402,0.0459345002,0.0459345002,GGA+U,P2_1/c,A2B3C6D_mP48_14_2e_3e_6e_e:B-Na-O-V,48.0,"Invalid WP multiplicities - A2B3C6D_mP48_14_7e_11e_21e_e:B-Na-O-V, expected Na11V(BO3)7 to be Na3V(BO3)2" +mp-557235,Na3VB6O13,-7.801965455499999,-2.6961052024,0.0028426474,0.0028426474,GGA+U,P2_12_12_1,A6B3C13D_oP92_19_6a_3a_13a_a:B-Na-O-V,92.0,"Invalid WP multiplicities - A6B3C13D_oP92_19_21a_10a_49a_a:B-Na-O-V, expected Na10V(B3O7)7 to be Na3VB6O13" +mp-850371,Na6V2B4AsO16,-7.0696864857,-2.3584220454,0.1086813081,0.1086813081,GGA+U,Fd-3,AB4C6D16E2_cF232_203_a_e_f_eg_d:As-B-Na-O-V,58.0,"Invalid WP multiplicities - AB4C6D16E2_cF232_203_a_e_f_4e3g_d:As-B-Na-O-V, expected Na6V2B4AsO52 to be Na6V2B4AsO16" +mp-773190,Na2VBAsO7,-7.0489536713,-2.2410963536,0.0828826538,0.0828826538,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-B-Na-O-V,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:As-B-Na-O-V +mp-755361,Na3VBAsO7,-6.8311039227,-2.2913490685,0.0213068981,0.0213068981,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-B-Na-O-V,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:As-B-Na-O-V +mp-1176828,LiMnH4(SO5)2,-6.3229105078,-1.7461533308,0.0246072531,0.0246072531,GGA+U,P1,A4BCD10E2_aP36_1_8a_2a_2a_20a_4a:H-Li-Mn-O-S,36.0,A4BCD10E2_aP36_1_8a_2a_2a_20a_4a:H-Li-Mn-O-S +mp-771333,LiMnH4(SO5)2,-6.3066291553,-1.7298719783,0.0408886056,0.0408886056,GGA+U,P1,A4BCD10E2_aP36_1_8a_2a_2a_20a_4a:H-Li-Mn-O-S,36.0,A4BCD10E2_aP36_1_8a_2a_2a_20a_4a:H-Li-Mn-O-S +mp-771252,LiMnH4(SO5)2,-6.32015489,-1.7433977131,0.0273628708,0.0273628708,GGA+U,P2_1,A4BCD10E2_mP36_4_4a_a_a_10a_2a:H-Li-Mn-O-S,36.0,"Invalid WP multiplicities - A4BCD10E2_mP36_4_8a_a_a_18a_4a:H-Li-Mn-O-S, expected LiMnH8(S2O9)2 to be LiMnH4(SO5)2" +mp-777769,Li4MnH6(S2O9)2,-6.1861841245,-1.8607217216,0.0627754612,0.0627754612,GGA+U,Pccn,A6B4CD18E4_oP132_56_3e_2e_c_9e_2e:H-Li-Mn-O-S,132.0,"Invalid WP multiplicities - A6B4CD18E4_oP132_56_9e_5e_c_33e_5e:H-Li-Mn-O-S, expected Li10MnH18(S5O33)2 to be Li4MnH6(S2O9)2" +mp-831237,LiMnH8(SO6)2,-6.0268818088,-1.6166355259,0.0358017632,0.0358017632,GGA+U,P1,A8BCD12E2_aP96_1_32a_4a_4a_48a_8a:H-Li-Mn-O-S,96.0,A8BCD12E2_aP96_1_32a_4a_4a_48a_8a:H-Li-Mn-O-S +mp-1176694,LiMnH8(SO6)2,-6.0234300044,-1.6131837216,0.0392535676,0.0392535676,GGA+U,C2,A8BCD12E2_mC192_5_16c_2c_abc_2a2b22c_4c:H-Li-Mn-O-S,96.0,"Invalid WP multiplicities - A8BCD12E2_mC192_5_32c_4c_ab2c_2a2b44c_8c:H-Li-Mn-O-S, expected Li4Mn3H32(S4O23)2 to be LiMnH8(SO6)2" +mp-1178013,Li2MnH8(SO6)2,-6.0099933016,-1.6997999554,0.0592206734,0.0592206734,GGA+U,C2/c,A8B2CD12E2_mC200_15_8f_2f_ce_2e11f_2f:H-Li-Mn-O-S,100.0,"Invalid WP multiplicities - A8B2CD12E2_mC200_15_29f_5f_2a2e_4e41f_5f:H-Li-Mn-O-S, expected Li5Mn2H29S5O43 to be Li2MnH8(SO6)2" +mp-943469,LiMnHSO5,-6.8423046261,-2.0274648898,0.0034302157,0.0034302157,GGA+U,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:H-Li-Mn-O-S,36.0,ABCD5E_mP36_14_e_e_e_5e_e:H-Li-Mn-O-S +mp-772273,Li2MnH4(SO5)2,-6.2891529145,-1.8528080696,0.0568335934,0.0568335934,GGA+U,P-1,A4B2CD10E2_aP38_2_4i_2i_i_10i_2i:H-Li-Mn-O-S,38.0,"Invalid WP multiplicities - A4B2CD10E2_aP38_2_7i_3i_i_19i_3i:H-Li-Mn-O-S, expected Li3MnH7S3O19 to be Li2MnH4(SO5)2" +mp-772240,Li2MnH4(SO5)2,-6.3117201518,-1.875375307,0.0342663561,0.0342663561,GGA+U,P2_1/c,A4B2CD10E2_mP38_14_2e_e_a_5e_e:H-Li-Mn-O-S,38.0,"Invalid WP multiplicities - A4B2CD10E2_mP38_14_3e_e_a_15e_e:H-Li-Mn-O-S, expected Li2MnH6(SO15)2 to be Li2MnH4(SO5)2" +mp-770526,Li6Fe2B4SO16,-7.0467911752,-2.274563039,0.0897976631,0.0897976631,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Fe-Li-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:B-Fe-Li-O-S, expected Li6Fe2B4SO108 to be Li6Fe2B4SO16" +mp-1222468,LiMoP2WO11,-8.1073762469,-2.4228209941,0.0027089896,0.0027089896,GGA+U,Cm,ABC11D2E_mC32_8_a_a_7a2b_2a_a:Li-Mo-O-P-W,16.0,ABC11D2E_mC32_8_a_a_7a2b_2a_a:Li-Mo-O-P-W +mp-757935,Mn2Ni3P6WO24,-7.8085045497,-2.2578680229,0.0761235033,0.0761235033,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Mn-Ni-O-P-W,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Mn-Ni-O-P-W, expected Mn2Ni3P6WO60 to be Mn2Ni3P6WO24" +mp-757043,Mn3Ni2P6WO24,-7.9714305928,-2.3268529934,0.0624980035,0.0624980035,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Mn-Ni-O-P-W,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Mn-Ni-O-P-W, expected Mn3Ni2P6WO60 to be Mn3Ni2P6WO24" +mp-942702,LiMnSO4F,-6.9406615281,-2.3274587984,0.0124029994,0.0124029994,GGA+U,P-1,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Mn-O-S,16.0,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Mn-O-S +mp-770642,Li2MnSO4F3,-6.2758988468,-2.3997622432,0.0837838364,0.0837838364,GGA+U,Pbcn,A3B2CD4E_oP44_60_cd_d_a_2d_c:F-Li-Mn-O-S,44.0,"Invalid WP multiplicities - A3B2CD4E_oP44_60_2c3d_d_a_5d_c:F-Li-Mn-O-S, expected Li2MnS(O5F4)2 to be Li2MnSO4F3" +mp-29290,WN3F5,-7.0020190247,-1.7214623756,0.1307112609,0.1307112609,GGA+U,P2_1/c,A5B3C_mP36_14_5e_3e_e:F-N-W,36.0,"Invalid WP multiplicities - A5B3C_mP36_14_8e_4e_e:F-N-W, expected W(NF2)4 to be WN3F5" +mp-1207764,W(NF2)3,-5.346940428,-0.403291547,1.564700033,1.564700033,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-N-W,10.0,A6B3C_cF40_225_e_ac_b:F-N-W +mp-557736,TeWNCl4F5,-5.0064814462,-1.5573587358,0.3169736728,0.3169736728,GGA+U,P-1,A4B5CDE_aP24_2_4i_5i_i_i_i:Cl-F-N-Te-W,24.0,"Invalid WP multiplicities - A4B5CDE_aP24_2_8i_9i_i_i_i:Cl-F-N-Te-W, expected TeWNCl8F9 to be TeWNCl4F5" +mp-734086,KIrBr5NO2,-4.2946013783,-0.7002166658,0.2412426366,0.2412426366,GGA,Pnma,A5BCDE2_oP40_62_c2d_c_c_c_2c:Br-Ir-K-N-O,40.0,A5BCDE2_oP40_62_c2d_c_c_c_2c:Br-Ir-K-N-O +mp-1234072,CaTe4H4(O3F4)2,-5.1482550039,-1.9690510195,0.1243323833,0.1243323833,GGA,P1,AB8C4D6E4_aP23_1_a_8a_4a_6a_4a:Ca-F-H-O-Te,23.0,AB8C4D6E4_aP23_1_a_8a_4a_6a_4a:Ca-F-H-O-Te +mp-1200798,RhWN5ClO4,-6.4050422246,0.5649747946,1.5681281231000002,1.5681281231000002,GGA+U,Pnma,AB5C4DE_oP48_62_c_c2d_2cd_c_c:Cl-N-O-Rh-W,48.0,AB5C4DE_oP48_62_c_c2d_2cd_c_c:Cl-N-O-Rh-W +mp-1246660,RhWN3,-9.009417083,0.056967492,0.380526966,0.380526966,GGA,P-1,A3BC_aP20_2_6i_2i_2i:N-Rh-W,20.0,A3BC_aP20_2_6i_2i_2i:N-Rh-W +mp-1214456,Ca2CrH3(IO5)2,-5.8261657786,-1.5897188243,0.2297047506,0.2297047506,GGA+U,P2_1/c,A2BC3D2E10_mP72_14_2e_e_3e_2e_10e:Ca-Cr-H-I-O,72.0,A2BC3D2E10_mP72_14_2e_e_3e_2e_10e:Ca-Cr-H-I-O +mp-24125,CaCrH2O5,-6.8286673236,-2.0311625462,0.01809913,0.01809913,GGA+U,Pbca,ABC2D5_oP72_61_c_c_2c_5c:Ca-Cr-H-O,72.0,"Invalid WP multiplicities - ABC2D5_oP72_61_c_c_2c_8c:Ca-Cr-H-O, expected CaCr(HO4)2 to be CaCrH2O5" +mp-727552,Ca2CrH2I2O11,-6.1076946965,-1.784916483,0.0098094738,0.0098094738,GGA+U,P2_1/c,A2BC2D2E11_mP72_14_2e_e_2e_2e_11e:Ca-Cr-H-I-O,72.0,A2BC2D2E11_mP72_14_2e_e_2e_2e_11e:Ca-Cr-H-I-O +mp-1523307,KLaEuWO6,-8.7122583058,-2.8180912708,0.1021154356,0.1021154356,GGA+U,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Eu-K-La-O-W,,"Invalid WP multiplicities - ABCD6E_oP40_48_e_2a2b_cd_6m_f:Eu-K-La-O-W, expected K2LaEuWO12 to be KLaEuWO6" +mp-1523198,KLaEuWO6,-8.640647519,-2.7464804841,0.1737262224,0.1737262224,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Eu-K-La-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Eu-K-La-O-W +mp-1202175,Cs2BaH6(NO6)2,-4.9382918478,-0.5861444418,0.8386851230000001,0.8386851230000001,GGA,Pnnm,AB2C6D2E12_oP46_58_a_g_gh_g_3h:Ba-Cs-H-N-O,46.0,AB2C6D2E12_oP46_58_a_g_gh_g_3h:Ba-Cs-H-N-O +mp-1214576,BaH(NO2)2,-6.1867907973,-0.9653600873,0.5731575241,0.5731575241,GGA,P6_1,ABC2D4_hP48_169_a_a_2a_4a:Ba-H-N-O,48.0,ABC2D4_hP48_169_a_a_2a_4a:Ba-H-N-O +mp-541221,BaH2N2O5,-6.42400998,-1.4129239364,0.0930210712,0.0930210712,GGA,P6_1,AB2C2D5_hP60_169_a_2a_2a_5a:Ba-H-N-O,60.0,AB2C2D5_hP60_169_a_2a_2a_5a:Ba-H-N-O +mp-541657,BaH2N2O5,-6.4237806583,-1.4126946147,0.0932503929,0.0932503929,GGA,P6_5,AB2C2D5_hP60_170_a_2a_2a_5a:Ba-H-N-O,60.0,AB2C2D5_hP60_170_a_2a_2a_5a:Ba-H-N-O +mp-1204117,BeH12C4(SBr)2,-4.8325404529,-0.4160764639,0.0150149668,0.0150149668,GGA,Pbcn,AB2C4D12E2_oP84_60_c_d_2d_6d_d:Be-Br-C-H-S,84.0,AB2C4D12E2_oP84_60_c_d_2d_6d_d:Be-Br-C-H-S +mp-860792,H6C2SBr2,-4.5320470782,-0.3451203707,0.0139408318,0.0139408318,GGA,P2_1/c,A2B2C6D_mP44_14_2e_2e_6e_e:Br-C-H-S,44.0,"Invalid WP multiplicities - A2B2C6D_mP44_14_3e_3e_15e_e:Br-C-H-S, expected H15C3SBr3 to be H6C2SBr2" +mp-561414,K3Hg3S2Br5O6,-4.2015363178,-1.5720409711,0.0515974658,0.0515974658,GGA,Pnma,A5B3C3D6E2_oP76_62_5c_3c_3c_2c2d_2c:Br-Hg-K-O-S,76.0,"Invalid WP multiplicities - A5B3C3D6E2_oP76_62_18c_9c_9c_6c9d_5c:Br-Hg-K-O-S, expected K9Hg9S5(Br3O4)6 to be K3Hg3S2Br5O6" +mp-1520127,BaYInWO6,-8.102690197,-2.7251509689,0.0846991545,0.0846991545,GGA+U,P4_2/nnm,ABC6DE_tP40_134_c_ab_mn_e_f:Ba-In-O-W-Y,40.0,"Invalid WP multiplicities - ABC6DE_tP40_134_c_2a2b_2m2n_e_f:Ba-In-O-W-Y, expected BaYIn2WO12 to be BaYInWO6" +mp-1520192,BaYInWO6,-8.103890606,-2.7263513779,0.0834987455,0.0834987455,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-In-O-W-Y +mp-767566,Na2TmPCO7,-7.4749264192,-2.7757868368,0.0236919657,0.0236919657,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Tm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Tm, expected Na2TmPCO13 to be Na2TmPCO7" +mp-1519052,KCaInWO6,-7.213282057,-2.3626875515,0.1116679833,0.1116679833,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-In-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-In-K-O-W +mp-767546,Na2AsPCO7,-6.9006104679,-2.1861973038,0.0098918031,0.0098918031,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-Na-O-P, expected Na2AsPCO13 to be Na2AsPCO7" +mp-728203,NiPH4ClO3,-5.4014348572,-1.2561402412,0.1235121054,0.1235121054,GGA+U,Pbca,AB4CD3E_oP80_61_c_4c_c_3c_c:Cl-H-Ni-O-P,80.0,AB4CD3E_oP80_61_c_4c_c_3c_c:Cl-H-Ni-O-P +mp-1228802,Ba2Li3Y3(WO4)8,-8.6805032465,-2.6196029877,0.0568089956,0.0568089956,GGA+U,P1,A2B3C32D8E3_aP48_1_2a_3a_32a_8a_3a:Ba-Li-O-W-Y,48.0,A2B3C32D8E3_aP48_1_2a_3a_32a_8a_3a:Ba-Li-O-W-Y +mp-1216495,V5Si6W5,-9.2926522363,-0.3700216313,0.0056717816,0.0056717816,GGA,Cm,A6B5C5_mC32_8_4ab_5a_3ab:Si-V-W,16.0,A6B5C5_mC32_8_4ab_5a_3ab:Si-V-W +mp-863300,Na2VSi(W2O9)6,-7.3300011679,-1.0475293414,0.8160940120000001,0.8160940120000001,GGA+U,P4/n,A2B54CDE12_tP140_85_d_2c13g_b_c_3g:Na-O-Si-V-W,140.0,A2B54CDE12_tP140_85_d_2c13g_b_c_3g:Na-O-Si-V-W +mp-1216281,VSiW,-9.3130721167,-0.15728734,0.2088526123,0.2088526123,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Si-V-W,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Si-V-W, expected V2Si2W3 to be VSiW" +mp-1195660,Ba4GaB10H7O24,-7.4103854529,-2.6284827382,0.0018229751,0.0018229751,GGA,Cc,A10B4CD7E24_mC184_9_10a_4a_a_7a_24a:B-Ba-Ga-H-O,92.0,A10B4CD7E24_mC184_9_10a_4a_a_7a_24a:B-Ba-Ga-H-O +mp-1229265,Ba3Ga2B10H4O23,-7.612385620399999,-2.708771832,0.0,-0.0020528614,GGA,Fdd2,A10B3C2D4E23_oF336_43_5b_ab_b_2b_a11b:B-Ba-Ga-H-O,84.0,A10B3C2D4E23_oF336_43_5b_ab_b_2b_a11b:B-Ba-Ga-H-O +mp-1194652,BaGaB4H3O10,-7.3293373745,-2.5235635169,0.0,-0.005052436,GGA,P-1,A4BCD3E10_aP38_2_4i_i_i_3i_10i:B-Ba-Ga-H-O,38.0,A4BCD3E10_aP38_2_4i_i_i_3i_10i:B-Ba-Ga-H-O +mp-1403079,BaGaB4H3O10,-6.1144282774,-1.3086544198,1.2149090971,1.2098566611,GGA,P-1,A4BCD3E10_aP38_2_4i_i_i_3i_10i:B-Ba-Ga-H-O,38.0,A4BCD3E10_aP38_2_4i_i_i_3i_10i:B-Ba-Ga-H-O +mp-1195154,BaGaB4H3O10,-7.3283731224,-2.5225992648,0.0009642521,-0.0040881839,GGA,C2/c,A4BCD3E10_mC152_15_4f_f_f_3f_10f:B-Ba-Ga-H-O,76.0,A4BCD3E10_mC152_15_4f_f_f_3f_10f:B-Ba-Ga-H-O +mp-1212637,GaFe3N,-7.579779386,-0.2248484705,0.037878277,0.037878277,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Fe-Ga-N,5.0,A3BC_cP5_221_c_a_b:Fe-Ga-N +mp-1223610,KGaFe(CN)6,-8.0010278513,-0.134395939,0.1499449049,0.1499449049,GGA,F-43m,A6BCDE6_cF60_216_f_a_b_c_f:C-Fe-Ga-K-N,15.0,A6BCDE6_cF60_216_f_a_b_c_f:C-Fe-Ga-K-N +mp-1246475,GaFeN2,-7.1860063319,-0.1432295613,0.3424972919,0.3424972919,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Fe-Ga-N,16.0,ABC2_oP16_33_a_a_2a:Fe-Ga-N +mp-1245433,GaFeN2,-7.1658068134,-0.1230300428,0.3626968103,0.3626968103,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Fe-Ga-N,64.0,ABC2_oP64_61_2c_2c_4c:Fe-Ga-N +mp-1246352,GaFeN2,-7.2023068263,-0.1595300556,0.3261967975,0.3261967975,GGA,I-42d,ABC2_tI16_122_a_b_d:Fe-Ga-N,8.0,ABC2_tI16_122_a_b_d:Fe-Ga-N +mp-1245459,GaFe2N3,-7.6304049633,-0.1341344271,0.2945624208,0.2945624208,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Fe-Ga-N,12.0,A2BC3_oC24_36_b_a_ab:Fe-Ga-N +mp-1224930,GaFe7N2,-8.036741603,-0.1376181687,0.05703512,0.05703512,GGA,Fm-3m,A7BC2_cF40_225_ad_b_c:Fe-Ga-N,10.0,A7BC2_cF40_225_ad_b_c:Fe-Ga-N +mp-1245395,Ga2FeN3,-6.8910769892,-0.3017939842,0.2409628742,0.2409628742,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Fe-Ga-N,12.0,AB2C3_oC24_36_a_b_ab:Fe-Ga-N +mp-1225232,GaFe19N5,-8.100291168,0.1253477775,0.279156991,0.279156991,GGA,P4/m,A19BC5_tP25_83_be2j2k_d_aj:Fe-Ga-N,25.0,"Invalid WP multiplicities - A19BC5_tP25_83_b2e6j2k_d_aj:Fe-Ga-N, expected GaFe37N5 to be GaFe19N5" +mp-560900,RbSb2C2O4F5,-6.3158704791,-2.2415835348,0.0156179539,0.0156179539,GGA,P2_12_12_1,A2B5C4DE2_oP56_19_2a_5a_4a_a_2a:C-F-O-Rb-Sb,56.0,"Invalid WP multiplicities - A2B5C4DE2_oP56_19_6a_17a_11a_a_7a:C-F-O-Rb-Sb, expected RbSb7C6O11F17 to be RbSb2C2O4F5" +mp-683792,Fe2Os(CO)12,-8.064487852,-0.7210930263,0.5321953431,0.5321953431,GGA+U,Pc,A12B2C12D_mP108_7_24a_4a_24a_2a:C-Fe-O-Os,108.0,"Invalid WP multiplicities - A12B2C12D_mP108_7_48a_8a_46a_4a:C-Fe-O-Os, expected Fe4Os2C24O23 to be Fe2Os(CO)12" +mp-1212809,EuAl3(BO3)4,-8.520032465,-3.1414544196,0.000268623,3.1733e-06,GGA,C2,A3B4CD12_mC120_5_a4c_2b5c_ac_2b17c:Al-B-Eu-O,60.0,A3B4CD12_mC120_5_a4c_2b5c_ac_2b17c:Al-B-Eu-O +mp-1212741,EuAl3(BO3)4,-8.5202167525,-3.1416387071,8.43355e-05,-0.0001811142,GGA,C2/c,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Eu-O,40.0,A3B4CD12_mC80_15_ef_2f_e_6f:Al-B-Eu-O +mp-1019731,EuAl3(BO3)4,-8.520301088,-3.1417230426,0.0,-0.0002654497,GGA,R32,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Eu-O,20.0,A3B4CD12_hR60_155_e_ad_b_2df:Al-B-Eu-O +mp-1225326,EuYAl6(BO3)8,-8.4776610525,-3.1938462742,0.0005331072,0.0005331072,GGA,C2,A6B8CD24E_mC80_5_ab2c_4c_a_12c_b:Al-B-Eu-O-Y,40.0,"Invalid WP multiplicities - A6B8CD24E_mC80_5_ab3c_5c_a_19c_b:Al-B-Eu-O-Y, expected EuYAl8(B5O19)2 to be EuYAl6(BO3)8" +mp-1225116,EuYAl4,-5.7297296183,-0.4454335794,0.01451451,0.01451451,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Eu-Y,6.0,A4BC_cF24_216_e_a_c:Al-Eu-Y +mp-644277,Fe2CuH4(OF4)2,-5.5340966074,-2.0167223466,0.0114614851,0.0114614851,GGA+U,C2/c,AB8C2D4E2_mC68_15_c_2e3f_f_2f_f:Cu-F-Fe-H-O,34.0,AB8C2D4E2_mC68_15_c_2e3f_f_2f_f:Cu-F-Fe-H-O +mp-40573,FeCu2H21(O5F4)2,-5.1414315393,-1.5063267691000002,0.0253610582,0.0253610582,GGA+U,P1,A2B8CD21E10_aP42_1_2a_8a_a_21a_10a:Cu-F-Fe-H-O,42.0,A2B8CD21E10_aP42_1_2a_8a_a_21a_10a:Cu-F-Fe-H-O +mp-1224534,K4BaTi6S20O,-5.9886123894,-1.569574612,0.000400933,0.000400933,GGA,Fdd2,AB4CD20E6_oF256_43_a_4a_a_10b_3b:Ba-K-O-S-Ti,64.0,"Invalid WP multiplicities - AB4CD20E6_oF256_43_a_5a_a_30b_7b:Ba-K-O-S-Ti, expected K5BaTi14S60O to be K4BaTi6S20O" +mp-1224564,K4BaTi6S20O,-5.9886189027,-1.5695811253,0.0003944198,0.0003944198,GGA,P6_322,AB4CD20E6_hP64_182_b_cg_d_f3i_i:Ba-K-O-S-Ti,64.0,AB4CD20E6_hP64_182_b_cg_d_f3i_i:Ba-K-O-S-Ti +mp-1198551,BaTi(S2O7)3,-6.8807061305,-2.1043740928,0.0,-0.0199267155,GGA,P2_1/c,AB21C6D_mP116_14_e_21e_6e_e:Ba-O-S-Ti,116.0,AB21C6D_mP116_14_e_21e_6e_e:Ba-O-S-Ti +mp-540627,K2Ba(SO)12,-5.6980944676,-1.5078190686,0.0422980776,0.0422980776,GGA,P2/c,AB2C12D12_mP54_13_e_be_6g_6g:Ba-K-O-S,54.0,AB2C12D12_mP54_13_e_be_6g_6g:Ba-K-O-S +mp-555781,Ba6Ti5S15O,-6.4738443537,-2.1040389301,0.0,-0.0082961406,GGA,C222_1,A6BC15D5_oC108_20_3c_a_a7c_b2c:Ba-O-S-Ti,54.0,"Invalid WP multiplicities - A6BC15D5_oC108_20_9c_a_2a25c_2b4c:Ba-O-S-Ti, expected Ba18Ti10S52O to be Ba6Ti5S15O" +mp-558062,K6Ti2S6O,-5.2560029668,-1.774751925,0.0,-0.0812601927,GGA,P2_1/c,A6BC6D2_mP60_14_6e_e_6e_2e:K-O-S-Ti,60.0,"Invalid WP multiplicities - A6BC6D2_mP60_14_21e_e_19e_5e:K-O-S-Ti, expected K21Ti5S19O to be K6Ti2S6O" +mp-1229282,Ba14U2Fe4S25O,-6.051348284,-1.8842506883,0.055413573,0.055413573,GGA+U,P4,A14B4CD25E2_tP92_75_2c6d_2d_ab_ab12d_2a2b:Ba-Fe-O-S-U,92.0,A14B4CD25E2_tP92_100_2b2c2d_2c_a_a4c4d_2a:Ba-Fe-O-S-U +mp-22667,UFeS3,-7.676297755,-1.2421415909,0.1095604736,0.1095604736,GGA,Cmcm,AB3C_oC20_63_a_cf_c:Fe-S-U,10.0,AB3C_oC20_63_a_cf_c:Fe-S-U +mp-21037,U2FeS5,-7.8909599356,-1.4240736151,0.076075227,0.076075227,GGA,C2/c,AB5C2_mC32_15_c_e2f_f:Fe-S-U,16.0,"Invalid WP multiplicities - AB5C2_mC32_15_a_e3f_f:Fe-S-U, expected U2FeS7 to be U2FeS5" +mp-559388,U8FeS17,-8.1760854712,-1.6714335855,0.0,-0.0389431225,GGA,C2/m,AB17C8_mC52_12_a_c4i2j_2ij:Fe-S-U,26.0,"Invalid WP multiplicities - AB17C8_mC52_12_a_d8i8j_4i3j:Fe-S-U, expected U20FeS49 to be U8FeS17" +mp-1190569,Ba3UFeS6,-6.4393226977,-1.8632267667,0.041216387,0.041216387,GGA,R-3c,A3BC6D_hR66_167_e_b_f_a:Ba-Fe-S-U,22.0,A3BC6D_hR66_167_e_b_f_a:Ba-Fe-S-U +mp-1041108,HoMgV2O6,-8.390037634,-2.9869743013,0.0558081897,0.0558081897,GGA+U,P1,ABC6D2_aP20_1_2a_2a_12a_4a:Ho-Mg-O-V,20.0,ABC6D2_aP20_1_2a_2a_12a_4a:Ho-Mg-O-V +mp-2227384,Ho2MgV2O8,-8.3513963,-3.0816717138,0.1420765667,0.1420765667,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Ho-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Ho-Mg-O-V, expected Ho2MgV2O16 to be Ho2MgV2O8" +mp-2228647,K3HoMgV2O8,-7.0185660547,-2.5348855486,0.1936541947,0.1936541947,GGA+U,C2/m,AB3CD8E2_mC30_12_a_ci_b_2ij_i:Ho-K-Mg-O-V,15.0,"Invalid WP multiplicities - AB3CD8E2_mC30_12_b_ci_a_3i3j_i:Ho-K-Mg-O-V, expected K3HoMgV2O18 to be K3HoMgV2O8" +mp-2218190,Ho2MgV2O7,-8.371535745,-3.0748915026,0.1884140588,0.1884140588,GGA+U,C2,A2BC7D2_mC24_5_2b_a_a3c_c:Ho-Mg-O-V,12.0,"Invalid WP multiplicities - A2BC7D2_mC24_5_2b_a_a5c_c:Ho-Mg-O-V, expected Ho2MgV2O11 to be Ho2MgV2O7" +mp-2218211,Ho2MgV2O7,-8.3855489108,-3.0889046684,0.1744008929,0.1744008929,GGA+U,Cm,A2BC7D2_mC24_8_b_a_3a2b_2a:Ho-Mg-O-V,12.0,A2BC7D2_mC24_8_b_a_3a2b_2a:Ho-Mg-O-V +mp-2230356,Ho2MgV4O12,-8.5159598532,-2.9127500318,0.1133883961,0.1133883961,GGA+U,P1,A2BC12D4_aP19_1_2a_a_12a_4a:Ho-Mg-O-V,19.0,A2BC12D4_aP19_1_2a_a_12a_4a:Ho-Mg-O-V +mp-19054,BaMnCO3F2,-7.6672617119,-2.7956767377,0.0246994575,0.0246994575,GGA+U,P6_3/m,ABC2DE3_hP16_176_b_c_f_d_h:Ba-C-F-Mn-O,16.0,ABC2DE3_hP16_176_b_c_f_d_h:Ba-C-F-Mn-O +mp-772424,RbLi2V2(BO3)3,-7.7498375603,-2.601333698,0.0612366947,0.0612366947,GGA+U,P2/c,A3B2C9DE2_mP34_13_eg_g_e4g_f_g:B-Li-O-Rb-V,34.0,"Invalid WP multiplicities - A3B2C9DE2_mP34_13_e2g_g_e8g_f_g:B-Li-O-Rb-V, expected RbLi2V2B5O17 to be RbLi2V2(BO3)3" +mp-766010,NbV3Cu2(PO4)6,-7.9702354919,-2.5049082503,0.0421597781,0.0421597781,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Nb-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cu-Nb-O-P-V, expected NbV3Cu2(PO10)6 to be NbV3Cu2(PO4)6" +mp-1204738,FeAs2S4(O2F3)4,-5.5899426961,-2.0030791855,0.0949005079,0.0949005079,GGA+U,P2_1/c,A2B12CD8E4_mP108_14_2e_12e_e_8e_4e:As-F-Fe-O-S,108.0,A2B12CD8E4_mP108_14_2e_12e_e_8e_4e:As-F-Fe-O-S +mp-2231083,MgV2(GeO3)4,-7.2977235437,-2.1598041676,0.1655591048,0.1655591048,GGA+U,P1,A4BC12D2_aP19_1_4a_a_12a_2a:Ge-Mg-O-V,19.0,A4BC12D2_aP19_1_4a_a_12a_2a:Ge-Mg-O-V +mp-2231362,MgV2(GeO3)4,-7.4498824032,-2.3119630271,0.0134002453,0.0134002453,GGA+U,C2,A4BC12D2_mC38_5_2c_a_6c_ab:Ge-Mg-O-V,19.0,A4BC12D2_mC38_5_2c_a_6c_ab:Ge-Mg-O-V +mp-1043188,MgV(GeO3)2,-7.309354302,-2.3483168922,0.0334488404,0.0334488404,GGA+U,P2_1/c,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-V,40.0,A2BC6D_mP40_14_2e_e_6e_e:Ge-Mg-O-V +mp-1043213,MgV(GeO3)2,-7.3195343685,-2.3584969588,0.0232687739,0.0232687739,GGA+U,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-V,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Mg-O-V +mp-1327460,Mg3V2(GeO4)3,-7.2540627424,-2.4441627229,0.1102736337,0.1102736337,GGA+U,Ia-3d,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-V,80.0,A3B3C12D2_cI160_230_d_c_h_a:Ge-Mg-O-V +mp-1233657,MgV8Ge4(O2F)8,-7.6245984989,-2.5650717111,0.094375589,0.094375589,GGA+U,P1,A8B4CD16E8_aP37_1_8a_4a_a_16a_8a:F-Ge-Mg-O-V,37.0,A8B4CD16E8_aP37_1_8a_4a_a_16a_8a:F-Ge-Mg-O-V +mp-1233417,MgV4(GeO4)4,-7.5163769664,-2.0933755612,0.2719782702,0.2719782702,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_3_abcd_a_16e_abcd:Ge-Mg-O-V, expected MgV4(GeO8)4 to be MgV4(GeO4)4" +mp-1233905,MgV4(GeO4)4,-7.5713668456,-2.1483654404,0.216988391,0.216988391,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V +mp-1234618,MgV4(GeO4)4,-7.6039276168,-2.1809262116,0.1844276198,0.1844276198,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V +mp-2220345,MgV4(GeO4)4,-7.5696487488,-2.1466473436,0.2187064878,0.2187064878,GGA+U,P1,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V,25.0,A4BC16D4_aP25_1_4a_a_16a_4a:Ge-Mg-O-V +mp-1234417,MgV4(GeO4)4,-7.5333880916,-2.1103866864,0.254967145,0.254967145,GGA+U,P2,A4BC16D4_mP25_3_abcd_a_8e_abcd:Ge-Mg-O-V,25.0,"Invalid WP multiplicities - A4BC16D4_mP25_3_abcd_a_16e_abcd:Ge-Mg-O-V, expected MgV4(GeO8)4 to be MgV4(GeO4)4" +mp-558123,V2Ge(O2F)2,-7.7896122475,-2.6339952725,0.0,-0.0439498856,GGA+U,Pnma,A2BC4D2_oP36_62_d_c_2cd_d:F-Ge-O-V,36.0,"Invalid WP multiplicities - A2BC4D2_oP36_62_d_c_7c4d_d:F-Ge-O-V, expected V2GeO15F2 to be V2Ge(O2F)2" +mp-1097130,TiVW2,-6.07442662,4.6494880167,4.7099093429,4.7099093429,GGA,Immm,ABC2_oI8_71_a_b_e:Ti-V-W,4.0,ABC2_oI8_71_a_b_e:Ti-V-W +mp-768668,Li4Ti3V3(WO8)2,-8.5145015239,-2.6703170394,0.0465788653,0.0465788653,GGA+U,Cm,A4B16C3D3E2_mC56_8_4a_8a4b_ab_ab_2a:Li-O-Ti-V-W,28.0,"Invalid WP multiplicities - A4B16C3D3E2_mC56_8_4a_8a6b_ab_ab_2a:Li-O-Ti-V-W, expected Li4Ti3V3(WO10)2 to be Li4Ti3V3(WO8)2" +mp-1096710,TiV2W,-5.4386331525,4.3167254442,4.3509929742,4.3509929742,GGA,Immm,AB2C_oI8_71_a_e_b:Ti-V-W,4.0,AB2C_oI8_71_a_e_b:Ti-V-W +mp-631373,TiVW,-8.86100094,1.1181751656,1.1638652056,1.1638652056,GGA,F-43m,ABC_cF12_216_c_a_b:Ti-V-W,3.0,ABC_cF12_216_c_a_b:Ti-V-W +mp-1100918,Y2AlSiNO5,-8.265426952,-2.7480494952,0.6045447073,0.6045447073,GGA,P1,ABC5DE2_aP30_1_3a_3a_15a_3a_6a:Al-N-O-Si-Y,30.0,ABC5DE2_aP30_1_3a_3a_15a_3a_6a:Al-N-O-Si-Y +mp-695215,Y2Al9Si27(N15O)3,-8.2178777776,-1.4375399954,0.0770171027,0.0770171027,GGA,P1,A9B45C3D27E2_aP86_1_9a_45a_3a_27a_2a:Al-N-O-Si-Y,86.0,A9B45C3D27E2_aP86_1_9a_45a_3a_27a_2a:Al-N-O-Si-Y +mp-532803,YAl3(Si5N8)3,-8.3035310583,-1.346348564,0.0256262372,0.0256262372,GGA,P1,A3B24C15D_aP86_1_6a_48a_30a_2a:Al-N-Si-Y,86.0,A3B24C15D_aP86_1_6a_48a_30a_2a:Al-N-Si-Y +mp-1207796,Y3Si5N9O,-8.7755392093,-1.7476977356,0.0,-0.0187409214,GGA,Pbcm,A9BC5D3_oP72_57_a2d3e_d_c2de_de:N-O-Si-Y,72.0,A9BC5D3_oP72_57_a2d3e_d_c2de_de:N-O-Si-Y +mp-1207840,Y4Si2NO8,-9.0143553437,-3.3725870018,0.1256581783,0.1256581783,GGA,P2_1/c,AB8C2D4_mP60_14_e_8e_2e_4e:N-O-Si-Y,60.0,AB8C2D4_mP60_14_e_8e_2e_4e:N-O-Si-Y +mp-6941,Y2Si3N4O3,-8.8210105525,-2.37143204,0.041531872,0.041531872,GGA,P-42_1m,A4B3C3D2_tP24_113_f_ce_ae_e:N-O-Si-Y,24.0,"Invalid WP multiplicities - A4B3C3D2_tP24_113_f_c2e_ae_e:N-O-Si-Y, expected Y2Si3N4O5 to be Y2Si3N4O3" +mp-677140,YAl6Si30(N15O)3,-8.2362518671,-1.392936517,0.0837372928,0.0837372928,GGA,P1,A6B45C3D30E_aP85_1_6a_45a_3a_30a_a:Al-N-O-Si-Y,85.0,A6B45C3D30E_aP85_1_6a_45a_3a_30a_a:Al-N-O-Si-Y +mp-686618,YAl6Si30(N15O)3,-8.2543474901,-1.4110321401,0.0656416697,0.0656416697,GGA,P1,A6B45C3D30E_aP85_1_6a_45a_3a_30a_a:Al-N-O-Si-Y,85.0,A6B45C3D30E_aP85_1_6a_45a_3a_30a_a:Al-N-O-Si-Y +mp-677127,YAl6Si18(N15O)2,-8.1878377081,-1.4056644483,0.0924549471,0.0924549471,GGA,P1,A6B30C2D18E_aP57_1_6a_30a_2a_18a_a:Al-N-O-Si-Y,57.0,A6B30C2D18E_aP57_1_6a_30a_2a_18a_a:Al-N-O-Si-Y +mp-1020714,Y4AlSiNO8,-9.0743962575,-3.5446107289,0.0143465573,0.0143465573,GGA,P2_1/c,ABC8DE4_mP60_14_e_e_8e_e_4e:Al-N-O-Si-Y,60.0,ABC8DE4_mP60_14_e_e_8e_e_4e:Al-N-O-Si-Y +mp-559123,YSiNO2,-8.981233866,-2.9569015678,0.0079254301,0.0079254301,GGA,Cmcm,AB2CD_oC60_63_cg_fh_cg_ae:N-O-Si-Y,30.0,"Invalid WP multiplicities - AB2CD_oC60_63_2c2g_2f3h_2c3g_ae:N-O-Si-Y, expected Y3Si8(N3O8)2 to be YSiNO2" +mp-559569,YSiNO2,-8.9840063393,-2.9596740412,0.0051529567,0.0051529567,GGA,P6_122,AB2CD_hP90_178_ac_3c_ac_3b:N-O-Si-Y,90.0,"Invalid WP multiplicities - AB2CD_hP90_178_4a5c_21c_5a6c_9b:N-O-Si-Y, expected Y9Si17(NO3)14 to be YSiNO2" +mp-1179958,PtC4I4N,-4.7349632,0.9866123615,1.2453193911,1.2453193911,GGA,Ima2,A4B4CD_oI80_46_4c_6bc_2a_2b:C-I-N-Pt,40.0,A4B4CD_oI80_46_4c_6bc_2a_2b:C-I-N-Pt +mp-1197815,PtC4I4N,-4.9231775577,0.7983980037,1.0571050333,1.0571050333,GGA,Ima2,A4B4CD_oI80_46_4c_6bc_2a_2b:C-I-N-Pt,40.0,A4B4CD_oI80_46_4c_6bc_2a_2b:C-I-N-Pt +mp-23060,Cs2PtI6,-2.9629205044,-1.1071275973,0.0,-0.0528161142,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-I-Pt,9.0,A2B6C_cF36_225_c_e_a:Cs-I-Pt +mp-1193434,Cs2PtC4(IN2)2,-6.5873850746,-0.3512841181,0.1904872015,0.1904872015,GGA,P2_1/c,A4B2C2D4E_mP26_14_2e_e_e_2e_a:C-Cs-I-N-Pt,26.0,A4B2C2D4E_mP26_14_2e_e_e_2e_a:C-Cs-I-N-Pt +mp-12145,K2BaCu(NO2)6,-6.5142186323,-1.1679361964,0.1437993591,0.1437993591,GGA,Fmmm,ABC2D6E12_oF88_69_a_b_f_ghi_mno:Ba-Cu-K-N-O,22.0,"Invalid WP multiplicities - ABC2D6E12_oF88_69_a_b_f_ghi_2m2no:Ba-Cu-K-N-O, expected K2BaCu(N3O10)2 to be K2BaCu(NO2)6" +mp-567824,K2NaCo(CN)6,-7.5334472144,-0.2807844964,0.0788214134,0.0788214134,GGA,P2_1/c,A6BC2D6E_mP32_14_3e_a_e_3e_d:C-Co-K-N-Na,32.0,"Invalid WP multiplicities - A6BC2D6E_mP32_14_8e_a_e_9e_b:C-Co-K-N-Na, expected K2NaCo(C8N9)2 to be K2NaCo(CN)6" +mp-676934,KCaNd(PO4)2,-7.7357799982,-3.2523753088,0.0,-0.0108923892,GGA,P6_4,ABCD8E2_hP39_172_b_a_b_4c_2b:Ca-K-Nd-O-P,39.0,"Invalid WP multiplicities - ABCD8E2_hP39_172_b_a_b_20c_4b:Ca-K-Nd-O-P, expected KCaNd(PO10)4 to be KCaNd(PO4)2" +mp-1194155,ZnSn2H12(OF)6,-5.0939821785,-1.718404181,0.0,-0.00344397,GGA,P-1,A6B12C6D2E_aP27_2_3i_6i_3i_i_a:F-H-O-Sn-Zn,27.0,A6B12C6D2E_aP27_2_3i_6i_3i_i_a:F-H-O-Sn-Zn +mp-1237578,ZnSn2H12(OF)6,-4.6796996793,-1.3041216818,0.4142824993,0.4108385293,GGA,P-1,A6B12C6D2E_aP27_2_3i_6i_3i_i_a:F-H-O-Sn-Zn,27.0,A6B12C6D2E_aP27_2_3i_6i_3i_i_a:F-H-O-Sn-Zn +mp-1519524,KTbEuWO6,-8.777695446,-2.9136925115,0.0114061854,0.0114061854,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Tb-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Tb-W +mp-1204209,CsHPt2(SO4)4,-6.3016796304,-1.6298790511,0.0,-0.0680851198,GGA,P2_1/c,ABC16D2E4_mP96_14_e_e_16e_2e_4e:Cs-H-O-Pt-S,96.0,ABC16D2E4_mP96_14_e_e_16e_2e_4e:Cs-H-O-Pt-S +mp-643243,Cs2H6Pt,-3.5129801167,-0.3776140795,0.0,-0.0766897089,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:Cs-H-Pt,9.0,A2B6C_cF36_225_c_e_a:Cs-H-Pt +mp-643010,Cs2H4Pt,-3.4487373686,-0.3869027623,0.002304,0.002304,GGA,P4_2/mnm,A2B4C_tP14_136_d_ef_a:Cs-H-Pt,14.0,A2B4C_tP14_136_d_ef_a:Cs-H-Pt +mp-643005,Cs3H5Pt,-3.2745113306,-0.4166257015,0.0,-0.0662342561,GGA,P4/mbm,A3B5C_tP18_127_bg_ak_c:Cs-H-Pt,18.0,A3B5C_tP18_127_bg_ak_c:Cs-H-Pt +mp-767341,Li2ScPCO7,-7.7064610142,-2.7548690295,0.0472806679,0.0472806679,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Sc,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Sc, expected Li2ScPCO13 to be Li2ScPCO7" +mp-1518428,KPrYFeO6,-7.512131318,-2.4613383887,0.1969266779,0.1969266779,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Fe-K-O-Pr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Fe-K-O-Pr-Y +mp-722714,MgCdH4(N2O5)2,-6.079748686,-1.1344016459,0.0724777421,0.0724777421,GGA,C2/c,AB4CD4E10_mC80_15_e_2f_c_2f_5f:Cd-H-Mg-N-O,40.0,AB4CD4E10_mC80_15_e_2f_a_2f_5f:Cd-H-Mg-N-O +mp-1245759,Mg2CdN2,-4.532103586,-0.372815644,0.2241982498,0.2241982498,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Cd-Mg-N,5.0,AB2C2_hP5_164_a_d_d:Cd-Mg-N +mp-1245768,Mg2CdN2,-2.677014844,1.482273098,2.0792869918,2.0792869918,GGA,P-43m,AB2C2_cP10_215_ab_e_e:Cd-Mg-N,10.0,AB2C2_cP10_215_ab_e_e:Cd-Mg-N +mp-1246051,Mg5CdN4,-4.790994148,-0.563967177,0.1823001903,0.1823001903,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Cd-Mg-N,20.0,AB5C4_oP20_59_a_bg_ef:Cd-Mg-N +mp-556824,Tl2Ni4P4O15,-7.0883412273,-2.1403662789,0.0,-0.0211019283,GGA+U,C2/c,A4B15C4D2_mC200_15_c3e2f_15f_4f_2f:Ni-O-P-Tl,100.0,"Invalid WP multiplicities - A4B15C4D2_mC200_15_2a6e7f_57f_13f_6f:Ni-O-P-Tl, expected Tl6Ni11P13O57 to be Tl2Ni4P4O15" +mp-1203479,Tl2NiP4(HO2)8,-6.4144095058,-1.9483623852,0.0,-0.0060986756,GGA+U,P-1,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Ni-O-P-Tl,31.0,A8BC16D4E2_aP31_2_4i_a_8i_2i_i:H-Ni-O-P-Tl +mp-560035,Tl4Ni7(PO4)6,-6.9551645841,-2.0499969389,0.0085591396,0.0085591396,GGA+U,Cm,A7B24C6D4_mC82_8_a3b_4a10b_2a2b_2ab:Ni-O-P-Tl,41.0,"Invalid WP multiplicities - A7B24C6D4_mC82_8_a6b_4a20b_2a3b_2a2b:Ni-O-P-Tl, expected Tl6Ni13(P2O11)4 to be Tl4Ni7(PO4)6" +mp-705059,TlNi4(PO4)3,-7.0983061225,-2.0441380264,0.0410616364,0.0410616364,GGA+U,Cmc2_1,A4B12C3D_oC80_36_2ab_6a3b_3a_a:Ni-O-P-Tl,40.0,"Invalid WP multiplicities - A4B12C3D_oC80_36_2a2b_11a9b_5a_a:Ni-O-P-Tl, expected TlNi6P5O29 to be TlNi4(PO4)3" +mp-1046386,Ba2YTlW2O7,-7.823645327699999,-2.1920956678,0.4683698656,0.4683698656,GGA+U,Pmmm,A2B7CD2E_oP13_47_i_ajkl_g_l_b:Ba-O-Tl-W-Y,13.0,"Invalid WP multiplicities - A2B7CD2E_oP13_47_i_a2jk2l_g_l_b:Ba-O-Tl-W-Y, expected Ba2YTlW2O11 to be Ba2YTlW2O7" +mp-558331,Ca5W(N2O)2,-7.2422013037,-1.723410741,0.0215536935,0.0215536935,GGA+U,P2_1/m,A5B4C2D_mP24_11_a2ef_2ef_2e_e:Ca-N-O-W,24.0,"Invalid WP multiplicities - A5B4C2D_mP24_11_2a4e3f_3e3f_3e_e:Ca-N-O-W, expected Ca12W(N3O)3 to be Ca5W(N2O)2" +mp-15203,Li6Ca12W4N16O3,-7.0061281329,-1.2603417521,0.03334197,0.03334197,GGA+U,I-43d,A12B6C16D3E4_cI164_220_e_d_ce_a_c:Ca-Li-N-O-W,82.0,A12B6C16D3E4_cI164_220_e_d_ce_a_c:Ca-Li-N-O-W +mp-772397,Li5WNO4,-6.5483021459,-1.9459390247,0.0346536163,0.0346536163,GGA+U,Cmc2_1,A5BC4D_oC44_36_a2b_a_2b_a:Li-N-O-W,22.0,"Invalid WP multiplicities - A5BC4D_oC44_36_a4b_a_3b_a:Li-N-O-W, expected Li9WNO6 to be Li5WNO4" +mp-561360,Ca51W12N56O3,-7.1668452812,-1.1056408667,0.0,-0.0899100277,GGA+U,P-1,A51B56C3D12_aP122_2_b25i_28i_ci_6i:Ca-N-O-W,122.0,"Invalid WP multiplicities - A51B56C3D12_aP122_2_b50i_54i_c2i_12i:Ca-N-O-W, expected Ca101W24N108O5 to be Ca51W12N56O3" +mp-1519582,KEuMgWO6,-8.174347541,-2.6137532116,0.0701033579,0.0701033579,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Mg-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Mg-O-W +mp-1227321,CaCeC4,-7.5128673617,-0.0373088608,0.0692088052,0.0692088052,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Ca-Ce,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_a_c:C-Ca-Ce, expected CaCeC6 to be CaCeC4" +mp-20288,CeCO3F,-8.3598470353,-3.0409637438,0.0,-0.0361585284,GGA,P-62c,ABCD3_hP36_190_h_g_af_hi:C-Ce-F-O,36.0,"Invalid WP multiplicities - ABCD3_hP36_190_h_g_af_5h5i:C-Ce-F-O, expected CeCO15F to be CeCO3F" +mp-662583,CaCeC2O6F,-8.1398816624,-2.8682788211,0.0125974323,0.0125974323,GGA,C2/c,A2BCDE6_mC132_15_3f_cf_ef_ef_9f:C-Ca-Ce-F-O,66.0,"Invalid WP multiplicities - A2BCDE6_mC132_15_9f_2a2f_e2f_ef_36f:C-Ca-Ce-F-O, expected Ca6Ce5C18(O24F)3 to be CaCeC2O6F" +mp-558463,NaTeH12(CO)3,-5.0169708361,-0.6317405192000001,0.1344389498,0.1344389498,GGA,P-31c,A3B12CD3E_hP80_163_i_4i_ab_i_f:C-H-Na-O-Te,80.0,"Invalid WP multiplicities - A3B12CD3E_hP80_163_i_31i_2a2b_i_f:C-H-Na-O-Te, expected Na2TeH93(CO)3 to be NaTeH12(CO)3" +mp-1210086,NaGa(SO4)2,-6.3902918758,-2.0405393142,0.0,-0.0164606046,GGA,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Ga-Na-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Ga-Na-O-S +mp-1204283,Na5Ga7H12S13O6,-4.7583998901,-1.2240745017,0.0,-0.0387593335,GGA,F-43c,A7B12C5D6E13_cF344_219_ce_h_ae_f_bh:Ga-H-Na-O-S,86.0,A7B12C5D6E13_cF344_219_ce_h_ae_f_bh:Ga-H-Na-O-S +mp-556030,BaCuCO3F2,-6.6900292381,-2.4512953417,0.0099354481,0.0099354481,GGA,Pbcm,ABCD2E3_oP32_57_c_d_d_e_3d:Ba-C-Cu-F-O,32.0,"Invalid WP multiplicities - ABCD2E3_oP32_57_c_d_d_e_12d:Ba-C-Cu-F-O, expected BaCuC(O6F)2 to be BaCuCO3F2" +mp-849433,SrTiH4(OF3)2,-5.9859481189,-2.8060809134,0.0,-0.0232747626,GGA,P2_1/c,A6B4C2DE_mP56_14_6e_4e_2e_e_e:F-H-O-Sr-Ti,56.0,"Invalid WP multiplicities - A6B4C2DE_mP56_14_23e_15e_5e_e_e:F-H-O-Sr-Ti, expected SrTiH15O5F23 to be SrTiH4(OF3)2" +mp-752822,RbCrH4(C2O5)2,-7.1854872945,-1.6561855542,0.0186500128,0.0186500128,GGA+U,C2/m,A4BC4D10E_mC40_12_j_a_j_i2j_d:C-Cr-H-O-Rb,40.0,A4BC4D10E_mC40_12_j_a_j_i2j_d:C-Cr-H-O-Rb +mp-1206503,MnGeP2,-6.172522305,-0.0196102649,0.336339509,0.336339509,GGA,I-42d,ABC2_tI16_122_a_b_d:Ge-Mn-P,8.0,ABC2_tI16_122_a_b_d:Ge-Mn-P +mp-1201485,Mn4GeP4(H6O11)2,-6.9289667277,-1.9879396756,0.015339362,0.015339362,GGA+U,P2_1/c,AB12C4D22E4_mP86_14_a_6e_2e_11e_2e:Ge-H-Mn-O-P,86.0,AB12C4D22E4_mP86_14_a_6e_2e_11e_2e:Ge-H-Mn-O-P +mp-768207,Li2SbPCO7,-7.0075521221,-2.2395824595,0.0631754007,0.0631754007,GGA,P2_1,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Li-O-P-Sb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_4_a_3a_13a_a_a:C-Li-O-P-Sb, expected Li3SbPCO13 to be Li2SbPCO7" +mp-1177866,Li2SbPCO7,-7.0403745567,-2.2724048941,0.0303529661,0.0303529661,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Sb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Sb, expected Li2SbPCO13 to be Li2SbPCO7" +mp-560541,K3Na3Nb8(PO7)5,-8.2444290548,-2.9053581202,0.0,-0.0175329267,GGA,R32,A3B3C8D35E5_hR162_155_d_e_cf_cd5f_ce:K-Na-Nb-O-P,54.0,"Invalid WP multiplicities - A3B3C8D35E5_hR162_155_d_e_c2f_2c3d28f_2c2e:K-Na-Nb-O-P, expected K3Na3Nb14P10O181 to be K3Na3Nb8(PO7)5" +mp-974451,K2Al2O3F2,-6.3623938072,-3.2096189602,0.0118974195,0.0118974195,GGA,C2/m,A2B2C2D3_mC36_12_j_j_2i_egi:Al-F-K-O,18.0,"Invalid WP multiplicities - A2B2C2D3_mC36_12_j_j_3i_2e2h2i:Al-F-K-O, expected K3Al2(O3F)2 to be K2Al2O3F2" +mp-1200456,K3Al3OF12,-5.56881808,-3.3344833088,0.1265676938,0.1265676938,GGA,Pmmn,A3B12C3D_oP38_59_ac_2ae2g_be_b:Al-F-K-O,38.0,A3B12C3D_oP38_59_ac_2ae2g_be_b:Al-F-K-O +mp-1223763,K2Al2O2F9,-5.146412701,-2.6925035221,0.2799679779,0.2799679779,GGA,P2_1/c,A2B9C2D2_mP30_14_e_a4e_e_e:Al-F-K-O,30.0,A2B9C2D2_mP30_14_e_a4e_e_e:Al-F-K-O +mp-557200,K4Nb11Al2O20F,-8.6489737171,-2.7570696097000003,0.0,-0.051412961,GGA,I4/mmm,A2BC4D11E20_tI76_139_d_a_i_bem_hmn:Al-F-K-Nb-O,38.0,"Invalid WP multiplicities - A2BC4D11E20_tI76_139_d_a_i_be2m_3h5m3n:Al-F-K-Nb-O, expected K4Nb19Al2O76F to be K4Nb11Al2O20F" +mp-731701,K2AlOF5,-5.1583634439,-2.8838681914,0.2415451874,0.2415451874,GGA,Cmcm,AB5C2D_oC36_63_a_cef_g_c:Al-F-K-O,18.0,AB5C2D_oC36_63_a_cef_g_c:Al-F-K-O +mp-1020740,YBe2B5O11,-8.4494215639,-3.0938514839,0.0,-0.0380672633,GGA,Pna2_1,A5B2C11D_oP76_33_5a_2a_11a_a:B-Be-O-Y,76.0,A5B2C11D_oP76_33_5a_2a_11a_a:B-Be-O-Y +mp-1216100,Y2BeAlBO7,-8.6909723162,-3.547293677,0.0,-8.31382e-05,GGA,P2_1,ABCD7E2_mP24_4_a_a_a_7a_2a:Al-B-Be-O-Y,24.0,ABCD7E2_mP24_4_a_a_a_7a_2a:Al-B-Be-O-Y +mp-686689,Y2BeAlBO7,-8.4126277579,-3.2689491186,0.2783445583,0.2782614201,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Al-B-Be-O-Y,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_26a_7a:Al-B-Be-O-Y, expected Y7BeAlBO26 to be Y2BeAlBO7" +mp-1249529,Y2BeAlBO7,-8.48160112,-3.3379224807,0.2093711963,0.209288058,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Al-B-Be-O-Y,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_26a_7a:Al-B-Be-O-Y, expected Y7BeAlBO26 to be Y2BeAlBO7" +mp-1180005,NaCr(SO10)2,-5.5279884095,-0.6037281294,0.4390676049,0.4390676049,GGA+U,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Cr-Na-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Cr-Na-O-S +mp-1210195,NaCr(SO4)2,-6.9874233175,-2.0855914686,0.0,-0.01303115,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Cr-Na-O-S,12.0,ABC8D2_mC24_12_a_d_2ij_i:Cr-Na-O-S +mp-1210557,NaCr(SO4)2,-6.9597378471,-2.0579059982,0.0276854704,0.0146543204,GGA+U,Pnma,ABC8D2_oP48_62_c_c_4c2d_2c:Cr-Na-O-S,48.0,ABC8D2_oP48_62_c_c_4c2d_2c:Cr-Na-O-S +mp-850803,Na6Cr2B4SO16,-7.1110943512,-2.3786018329,0.0496431575,0.0496431575,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Cr-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:B-Cr-Na-O-S, expected Na6Cr2B4SO108 to be Na6Cr2B4SO16" +mp-770560,Na4Cr2C4SO16,-7.4216990669,-2.0589462028,0.0044074012,0.0044074012,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Cr-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Cr-Na-O-S, expected Na10Cr2C4SO84 to be Na4Cr2C4SO16" +mp-770829,NaCrCSO7,-7.3837254777,-2.0230428321,0.0459732523,0.0459732523,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cr-Na-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cr-Na-O-S, expected NaCrCSO13 to be NaCrCSO7" +mp-773178,Na2CrCSO7,-7.0866604183,-2.0624908854,0.0536336458,0.0536336458,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-S,24.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Na-O-S +mp-780528,Na6Cr2C4SO16,-7.1449270721,-2.0608105922,0.0159699247,0.0159699247,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Cr-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Cr-Na-O-S, expected Na6Cr2C4SO108 to be Na6Cr2C4SO16" +mp-641497,KFeCo3(PO4)3,-7.581685585,-2.2564083051,0.0047582761,0.0047582761,GGA+U,Pnnm,A3BCD12E3_oP80_58_gh_g_g_6g3h_3g:Co-Fe-K-O-P,80.0,"Invalid WP multiplicities - A3BCD12E3_oP80_58_3g3h_g_g_22g19h_10g:Co-Fe-K-O-P, expected KFeCo9(PO6)10 to be KFeCo3(PO4)3" +mp-1194524,KFeCo(PO4)2,-7.522294401,-2.3616134275,0.0027705222,0.0027705222,GGA+U,P2_1/c,ABCD8E2_mP52_14_e_e_e_8e_2e:Co-Fe-K-O-P,52.0,ABCD8E2_mP52_14_e_e_e_8e_2e:Co-Fe-K-O-P +mp-769471,Fe3Co2P6WO24,-7.9324551514,-2.2717558858,0.0682133513,0.0682133513,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-W,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-W, expected Fe3Co2P6WO60 to be Fe3Co2P6WO24" +mp-1079737,OsIN5Cl2O,-4.99126705,1.3114299936,1.9076701535,1.9076701535,GGA,I4mm,A2BC5DE_tI20_107_b_a_ac_a_a:Cl-I-N-O-Os,10.0,A2BC5DE_tI20_107_b_a_ac_a_a:Cl-I-N-O-Os +mp-21150,Sr2Ni(NO2)6,-5.1821800905,0.4625036082,1.8506661018,1.8506661018,GGA+U,Fm-3m,A6BC12D2_cF84_225_e_a_h_c:N-Ni-O-Sr,21.0,A6BC12D2_cF84_225_e_a_h_c:N-Ni-O-Sr +mp-19374,K2SrNi(NO2)6,-6.6293301183,-1.2170727496,0.1133265445,0.1133265445,GGA+U,Fm-3,A2B6CD12E_cF88_202_c_e_a_h_b:K-N-Ni-O-Sr,88.0,A2B6CD12E_cF88_202_c_e_a_h_b:K-N-Ni-O-Sr +mp-638276,LiEu4C3(IN2)3,-8.5709944335,-1.2144064839,0.0025542488,0.0025542488,GGA,P6_3/mmc,A3B4C3DE6_hP34_194_g_ch_h_a_k:C-Eu-I-Li-N,34.0,A3B4C3DE6_hP34_194_g_ch_h_a_k:C-Eu-I-Li-N +mp-684011,Eu8C4I9N7,-8.2013280364,-1.3946695366,0.0257109249,0.0257109249,GGA,P3m1,A4B8C9D7_hP28_156_ad_ab2d_3d_a2d:C-Eu-I-N,28.0,"Invalid WP multiplicities - A4B8C9D7_hP28_156_ad_ab6d_7d_a5d:C-Eu-I-N, expected Eu20C4I21N16 to be Eu8C4I9N7" +mp-1200887,LiEu2CI3N2,-7.2789435006,-1.4184234051,0.0,-0.0085707322,GGA,Fd-3m,AB2C3DE2_cF144_227_c_e_f_d_e:C-Eu-I-Li-N,36.0,AB2C3DE2_cF144_227_c_e_f_d_e:C-Eu-I-Li-N +mp-704967,K5CeNi2(NO2)12,-6.5843831611,-1.0888416743,0.2369257478,0.2369257478,GGA+U,Pn-3,AB5C12D2E24_cP88_201_a_bd_h_c_2h:Ce-K-N-Ni-O,88.0,"Invalid WP multiplicities - AB5C12D2E24_cP88_201_a_3b3d_h_c_26h:Ce-K-N-Ni-O, expected K15CeNi2(NO26)12 to be K5CeNi2(NO2)12" +mp-1517590,KNdYSbO6,-7.419501058,-2.804085958,0.1668937228,0.1668937228,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-Nd-O-Sb-Y +mp-568906,KCoAu3(CN)6,-7.16958217,0.091084021,0.2363764167,0.2363764167,GGA,P312,A3B6CDE6_hP17_149_k_l_a_c_l:Au-C-Co-K-N,17.0,A3B6CDE6_hP17_149_k_l_a_c_l:Au-C-Co-K-N +mp-570037,CoAu2(CN)4,-7.3889108212,0.2398822211,0.2533154465,0.2533154465,GGA,P6_422,A2B4CD4_hP66_181_k_2k_f_2k:Au-C-Co-N,66.0,"Invalid WP multiplicities - A2B4CD4_hP66_181_k_15k_f_13k:Au-C-Co-N, expected CoAu2(C15N13)2 to be CoAu2(CN)4" +mp-573010,MnAs2S4(NF6)4,-5.0470915963,-1.7828765537,0.1845694504,0.1845694504,GGA+U,P2_1/c,A2B24CD4E4_mP70_14_e_12e_a_2e_2e:As-F-Mn-N-S,70.0,"Invalid WP multiplicities - A2B24CD4E4_mP70_14_e_48e_a_3e_4e:As-F-Mn-N-S, expected MnAs2S8(NF16)6 to be MnAs2S4(NF6)4" +mp-1199040,K3Bi2(NO3)9,-6.5206730441000005,-1.1645456141,0.0,-0.1106436036,GGA,P4_332,A2B3C9D27_cP164_212_c_d_de_d4e:Bi-K-N-O,164.0,A2B3C9D27_cP164_212_c_d_de_d4e:Bi-K-N-O +mp-649415,KBiN(ClO)3,-5.1521299883000005,-1.4106789755,0.0064825642,0.0064825642,GGA,P2_1/c,AB3CDE3_mP36_14_e_3e_e_e_3e:Bi-Cl-K-N-O,36.0,"Invalid WP multiplicities - AB3CDE3_mP36_14_e_11e_e_e_10e:Bi-Cl-K-N-O, expected KBiNCl11O10 to be KBiN(ClO)3" +mp-1519055,KNdEuWO6,-8.7271192275,-2.8497381598,0.0403744498,0.0403744498,GGA+U,Pnnn,ABCD6E_oP40_48_ab_cd_e_3m_f:Eu-K-Nd-O-W,40.0,"Invalid WP multiplicities - ABCD6E_oP40_48_ab_2c2d_e_6m_f:Eu-K-Nd-O-W, expected K2NdEuWO12 to be KNdEuWO6" +mp-1519089,KNdEuWO6,-8.704879707,-2.8274986393,0.0626139703,0.0626139703,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Nd-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:Eu-K-Nd-O-W +mp-560673,NaPr2S2O8F3,-7.0283405316,-2.999266586,0.0,-0.0209139087,GGA,C2/c,A3BC8D2E2_mC64_15_ef_e_4f_f_f:F-Na-O-Pr-S,32.0,"Invalid WP multiplicities - A3BC8D2E2_mC64_15_ef_e_14f_f_f:F-Na-O-Pr-S, expected NaPr2S2O28F3 to be NaPr2S2O8F3" +mp-1219884,Pr6S3(OF4)2,-7.2936482568,-3.8052275572,0.0,-0.0019194963,GGA,Pm,A8B2C6D3_mP38_6_7a9b_3ab_6a6b_3a3b:F-O-Pr-S,38.0,A8B2C6D3_mP38_6_7a9b_3ab_6a6b_3a3b:F-O-Pr-S +mp-3992,PrSF,-6.9194443583,-3.3098328285,0.0,-0.040241805,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Pr-S,6.0,ABC_tP6_129_a_c_c:F-Pr-S +mp-1207260,Pr2S2F,-4.660510004,-0.7112719617000001,2.181487203,2.181487203,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Pr-S,5.0,AB2C2_tP5_123_a_g_g:F-Pr-S +mp-1517607,KCaGdWO6,-8.820455634,-2.8374172775,0.1277923562,0.1277923562,GGA+U,F-43m,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-K-O-W,10.0,ABCD6E_cF40_216_c_a_d_f_b:Ca-Gd-K-O-W +mp-1197964,CsCoH24(C7N4)2,-6.0627857396,-0.1185686241,0.1719127427,0.1719127427,GGA,C2/m,A14BCD24E8_mC96_12_3i2j_a_d_2i5j_2ij:C-Co-Cs-H-N,48.0,A14BCD24E8_mC96_12_3i2j_a_c_2i5j_2ij:C-Co-Cs-H-N +mp-1211192,NaCaP2NO10,-6.5972169233,-1.8000094417,0.4396875545,0.4396875545,GGA,Cc,ABCD10E2_mC60_9_a_a_a_10a_2a:Ca-N-Na-O-P,30.0,ABCD10E2_mC60_9_a_a_a_10a_2a:Ca-N-Na-O-P +mp-1182752,CaP3NO9,-7.389585757,-2.3108571337,0.2771244583,0.2771244583,GGA,P2_1/c,ABC9D3_mP56_14_e_e_9e_3e:Ca-N-O-P,56.0,ABC9D3_mP56_14_e_e_9e_3e:Ca-N-O-P +mp-1205053,CaP3NO9,-7.2177454455,-2.1390168222,0.4489647697,0.4489647697,GGA,P2_1/c,ABC9D3_mP56_14_e_e_9e_3e:Ca-N-O-P,56.0,ABC9D3_mP56_14_e_e_9e_3e:Ca-N-O-P +mp-1214007,CaP3NO9,-7.1495100575,-2.0707814342,0.5172001578000001,0.5172001578000001,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Ca-N-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Ca-N-O-P +mp-742874,CaPNO11,-6.0169831757,-1.004913666,0.4403881112,0.4403881112,GGA,P2_1,ABC11D_mP28_4_a_a_11a_a:Ca-N-O-P,28.0,ABC11D_mP28_4_a_a_11a_a:Ca-N-O-P +mp-1518786,KSrBiWO6,-7.2412969817,-2.313432579,0.0569730741,0.0569730741,GGA+U,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Bi-K-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Bi-K-O-Sr-W, expected K2SrBiWO12 to be KSrBiWO6" +mp-1518709,KSrBiWO6,-7.225038191,-2.2971737882,0.0732318649,0.0732318649,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-K-O-Sr-W +mp-1199905,Sn(C6F5)4,-6.7609338837,-0.9003311498000001,0.3753261145,0.3753261145,GGA,I4_1/a,A24B20C_tI180_88_6f_5f_a:C-F-Sn,90.0,A24B20C_tI180_88_6f_5f_a:C-F-Sn +mp-560327,Na2Sn2C3(O2F)3,-6.6368041394,-2.0265066429,0.0523810924,0.0523810924,GGA,P-1,A3B3C2D6E2_aP32_2_3i_3i_2i_6i_2i:C-F-Na-O-Sn,32.0,"Invalid WP multiplicities - A3B3C2D6E2_aP32_2_5i_3i_3i_11i_3i:C-F-Na-O-Sn, expected Na3Sn3C5O11F3 to be Na2Sn2C3(O2F)3" +mp-1196504,K2CrMo6H23O32,-6.5147749744,-1.6198611647,0.0232097423,0.0232097423,GGA+U,P-1,AB23C2D6E32_aP128_2_bc_23i_2i_6i_32i:Cr-H-K-Mo-O,128.0,AB23C2D6E32_aP128_2_bc_23i_2i_6i_32i:Cr-H-K-Mo-O +mp-1228872,K2CrMo6H19O32,-6.5269443005,-1.5318846398,0.0947460612,0.0947460612,GGA+U,P-1,AB19C2D6E32_aP120_2_bc_19i_2i_6i_32i:Cr-H-K-Mo-O,120.0,AB19C2D6E32_aP120_2_bc_19i_2i_6i_32i:Cr-H-K-Mo-O +mp-556623,K2TiOF4,-6.2583552772,-3.4197434657,0.0,-0.0339094088,GGA,Pna2_1,A4B2CD_oP128_33_16a_8a_4a_4a:F-K-O-Ti,128.0,"Invalid WP multiplicities - A4B2CD_oP128_33_62a_28a_13a_13a:F-K-O-Ti, expected K28Ti13O13F62 to be K2TiOF4" +mp-6305,K3TiO4F3,-5.7819893205,-2.4412729018,0.1241074983,0.1241074983,GGA,Cmcm,A3B3C4D_oC44_63_cf_ce_2g_c:F-K-O-Ti,22.0,A3B3C4D_oC44_63_cf_ce_2g_c:F-K-O-Ti +mp-726681,K2TiO3F4,-5.9063751837,-2.6461479923,0.0896467803,0.0896467803,GGA,C2/c,A4B2C3D_mC80_15_4f_2f_3f_f:F-K-O-Ti,40.0,A4B2C3D_mC80_15_4f_2f_3f_f:F-K-O-Ti +mp-1112052,CsK2TiF6,-5.43577728,-3.1877206712,0.119909927,0.119909927,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ti,10.0,AB6C2D_cF40_225_a_e_c_b:Cs-F-K-Ti +mp-1226274,Cs2KTiO2F3,-5.9620717256,-3.0260150552,0.0682334681,0.0682334681,GGA,Fmm2,A2B3CD2E_oF36_42_b_ac_a_d_a:Cs-F-K-O-Ti,9.0,"Invalid WP multiplicities - A2B3CD2E_oF36_42_b_a2c_a_d_a:Cs-F-K-O-Ti, expected Cs2KTiO2F5 to be Cs2KTiO2F3" +mp-6178,Cs2KTiF6,-5.541396975,-3.3148400237,0.0,-0.0386228573,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ti,10.0,A2B6CD_cF40_225_c_e_a_b:Cs-F-K-Ti +mp-1223210,KTiO2F,-7.309585874,-3.1474364033,0.1476640588,0.1476640588,GGA,P4/mmm,ABC2D_tP5_123_a_c_e_b:F-K-O-Ti,5.0,ABC2D_tP5_123_a_c_e_b:F-K-O-Ti +mp-721856,K2Ti(OF2)2,-5.8550367361,-2.7821941580000003,0.2575778115,0.2575778115,GGA,Cmcm,A4B2C2D_oC36_63_ef_g_2c_a:F-K-O-Ti,18.0,A4B2C2D_oC36_63_ef_g_2c_a:F-K-O-Ti +mp-554376,Y4TiSi2(O3F2)3,-8.5123396111,-3.9395630322,0.0,-0.011987775,GGA,Cmcm,A6B9C2DE4_oC88_63_2ch_c2gh_g_a_2g:F-O-Si-Ti-Y,44.0,"Invalid WP multiplicities - A6B9C2DE4_oC88_63_4c3h_2c8g5h_g_a_6g:F-O-Si-Ti-Y, expected Y12TiSi2(O19F8)2 to be Y4TiSi2(O3F2)3" +mp-1519803,KFe(SeO3)4,-5.5272006978,-0.9202934421,0.4259687146,0.4259687146,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Fe-K-O-Se,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Fe-K-O-Se, expected KFe(Se2O9)2 to be KFe(SeO3)4" +mp-735586,KFe2H(SeO3)4,-6.2119745125,-1.4726206196,0.0,-0.0216666856,GGA+U,P2,A2BCD12E4_mP40_3_2e_e_ad_12e_4e:Fe-H-K-O-Se,40.0,A2BCD12E4_mP40_3_2e_e_ac_12e_4e:Fe-H-K-O-Se +mp-1201901,CrPC5Cl3O5,-7.0250870623,-0.9258383306,0.5357921883,0.5357921883,GGA+U,P2_1/c,A5B3CD5E_mP60_14_5e_3e_e_5e_e:C-Cl-Cr-O-P,60.0,A5B3CD5E_mP60_14_5e_3e_e_5e_e:C-Cl-Cr-O-P +mp-1192864,MnTlOF4,-5.4268661729,-1.9815428843,0.2624551527,0.2624551527,GGA+U,C2/c,A4BCD_mC56_15_4f_ce_f_f:F-Mn-O-Tl,28.0,A4BCD_mC56_15_4f_ae_f_f:F-Mn-O-Tl +mp-24555,MnTl2H2OF5,-5.3345746748,-2.1366803817,0.0,-0.018777428,GGA+U,Cmcm,A5B2CDE2_oC44_63_cef_f_a_c_g:F-H-Mn-O-Tl,44.0,A5B2CDE2_oC44_63_cef_f_a_c_g:F-H-Mn-O-Tl +mp-695911,MnTlH2OF4,-5.5784664825,-2.1448314703,0.0066480472,0.0066480472,GGA+U,C2/c,A4B2CDE_mC72_15_4f_2f_ce_f_f:F-H-Mn-O-Tl,36.0,A4B2CDE_mC72_15_4f_2f_ae_f_f:F-H-Mn-O-Tl +mp-1046576,SrZnP2WO8,-7.5099760573,-2.4094005191,0.2456217375,0.2456217375,GGA+U,P-1,A8B2CDE_aP26_2_8i_2i_i_i_i:O-P-Sr-W-Zn,26.0,"Invalid WP multiplicities - A8B2CDE_aP26_2_14i_2i_i_i_i:O-P-Sr-W-Zn, expected SrZnP2WO14 to be SrZnP2WO8" +mp-758775,CsMnH4(OF2)2,-5.5478422023,-2.1172076076,0.0,-0.0024009875,GGA+U,C2/c,AB4C4DE2_mC48_15_e_2f_2f_c_f:Cs-F-H-Mn-O,48.0,AB4C4DE2_mC48_15_e_2f_2f_c_f:Cs-F-H-Mn-O +mp-1521817,KCeEuWO6,-8.8964146945,-2.9025394545000003,0.0382138948,0.0382138948,GGA+U,Pnnn,ABCD6E_oP40_48_e_ab_cd_3m_f:Ce-Eu-K-O-W,,"Invalid WP multiplicities - ABCD6E_oP40_48_e_ab_2c2d_6m_f:Ce-Eu-K-O-W, expected K2CeEuWO12 to be KCeEuWO6" +mp-1521850,KCeEuWO6,-8.828771274,-2.8348960341,0.1058573153,0.1058573153,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Ce-Eu-K-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Ce-Eu-K-O-W +mp-1173193,Sr8Y4Cu11CO28,-6.7552684958,-2.2897097485,0.0280934443,0.0280934443,GGA,Amm2,AB11C28D8E4_oC104_38_a_3a4d_a3b8d4e_4e_2e:C-Cu-O-Sr-Y,52.0,"Invalid WP multiplicities - AB11C28D8E4_oC104_38_a_3a5d_a3b11d5e_6e_3e:C-Cu-O-Sr-Y, expected Sr12Y6Cu13CO36 to be Sr8Y4Cu11CO28" +mp-23122,Li10B14Cl2O25,-7.4504564735,-2.7452603057,0.0,-0.0025652687,GGA,F23,A14B2C10D25_cF204_196_2eg_ab_ef_c2h:B-Cl-Li-O,51.0,A14B2C10D25_cF204_196_2eg_ab_ef_c2h:B-Cl-Li-O +mp-1196966,LiB6S4(Cl3O4)2,-5.7226793962,-1.3548472918,0.5754954838,0.5754954838,GGA,P-1,A6B6CD8E4_aP50_2_6i_6i_i_8i_4i:B-Cl-Li-O-S,50.0,A6B6CD8E4_aP50_2_6i_6i_i_8i_4i:B-Cl-Li-O-S +mp-1222565,Li4B7ClO12,-7.5723794404,-2.7557029797,0.0053727973,0.0053727973,GGA,R3c,A7BC4D12_hR144_161_a2b_a_ab_4b:B-Cl-Li-O,48.0,"Invalid WP multiplicities - A7BC4D12_hR144_161_2a3b_a_ab_19b:B-Cl-Li-O, expected Li4B11ClO57 to be Li4B7ClO12" +mp-555090,LiBS4(ClO3)4,-5.8985145752,-1.7217634261,0.0091171009,0.0091171009,GGA,P2_1/c,AB4CD12E4_mP88_14_e_4e_e_12e_4e:B-Cl-Li-O-S,88.0,"Invalid WP multiplicities - AB4CD12E4_mP88_14_e_13e_e_45e_12e:B-Cl-Li-O-S, expected LiBS12Cl13O45 to be LiBS4(ClO3)4" +mp-1191161,MgU2(SiO9)2,-7.146732107,-1.7522045882,0.634312246,0.634312246,GGA,C2/m,AB18C2D2_mC46_12_a_5i2j_i_i:Mg-O-Si-U,23.0,AB18C2D2_mC46_12_a_5i2j_i_i:Mg-O-Si-U +mp-1211186,MgU2(SiO9)2,-6.9315251761,-1.5369976573000002,0.8495191769,0.8495191769,GGA,C2/m,AB18C2D2_mC46_12_a_5i2j_i_i:Mg-O-Si-U,23.0,AB18C2D2_mC46_12_a_5i2j_i_i:Mg-O-Si-U +mp-1212371,Mg4Si6H6O17,-6.3173670534,-1.9718187885,0.7096536027,0.7096536027,GGA,Pnna,A6B4C17D6_oP132_52_2c2e_4c_d8e_3e:H-Mg-O-Si,132.0,A6B4C17D6_oP132_52_2c2e_4c_d8e_3e:H-Mg-O-Si +mp-1205288,Mg48Si34H62O147,-6.7409558121,-2.621414538,2.19852e-05,2.19852e-05,GGA,Pm,A62B48C147D34_mP291_6_16a16b15c_8a8b16c_24a25b49c_17c:H-Mg-O-Si,291.0,A62B48C147D34_mP291_6_16a16b15c_8a8b16c_24a25b49c_17c:H-Mg-O-Si +mp-1204533,Mg45Si32(H29O69)2,-6.744403435,-2.6233633912,0.0,-0.0001285687,GGA,C2/m,A58B45C138D32_mC546_12_15i7j_ag7i7j_fh23i22j_8j:H-Mg-O-Si,273.0,A58B45C138D32_mC546_12_15i7j_ag7i7j_eh23i22j_8j:H-Mg-O-Si +mp-1211032,MgU2Si2(HO3)4,-7.7847287871,-2.6435428421,0.2040917682,0.2040917682,GGA,C2/m,A4BC12D2E2_mC42_12_j_a_4ij_i_i:H-Mg-O-Si-U,21.0,A4BC12D2E2_mC42_12_j_a_4ij_i_i:H-Mg-O-Si-U +mp-1222597,Mg9Si4(HO9)2,-7.0303096255,-3.0324417023,0.0063320458,0.0063320458,GGA,P2_1/c,A2B9C18D4_mP66_14_e_a4e_9e_2e:H-Mg-O-Si,66.0,A2B9C18D4_mP66_14_e_a4e_9e_2e:H-Mg-O-Si +mp-733817,Mg16Si8HO32,-7.1460101851,-3.0987507141,0.0671930087,0.0671930087,GGA,P1,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si,57.0,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si +mp-707516,Mg16Si8HO32,-7.0964926639,-3.0492331929,0.1167105299,0.1167105299,GGA,P1,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si,57.0,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si +mp-707519,Mg16Si8HO32,-7.1510823102,-3.1038228392,0.0621208836,0.0621208836,GGA,P1,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si,57.0,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si +mp-707521,Mg16Si8HO32,-7.0775812942,-3.0303218232,0.1356218996,0.1356218996,GGA,P1,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si,57.0,AB16C32D8_aP57_1_a_16a_32a_8a:H-Mg-O-Si +mp-541550,Mg16Si8HO32,-7.1356188067,-3.0883593357,0.0775843871,0.0775843871,GGA,Pm,AB16C32D8_mP57_6_a_4a4b4c_8a8b8c_4a4b:H-Mg-O-Si,57.0,"Invalid WP multiplicities - AB16C32D8_mP57_6_a_4a4b8c_8a8b16c_4a4b:H-Mg-O-Si, expected Mg24Si8HO48 to be Mg16Si8HO32" +mp-707515,Mg16Si8HO32,-7.0934367933,-3.0461773224,0.1197664004,0.1197664004,GGA,Pm,AB16C32D8_mP57_6_a_2a2b6c_4a4b12c_4c:H-Mg-O-Si,57.0,"Invalid WP multiplicities - AB16C32D8_mP57_6_a_2a2b10c_4a4b18c_4c:H-Mg-O-Si, expected Mg24Si8HO44 to be Mg16Si8HO32" +mp-1248719,Mg16Si8HO32,-7.1641869432,-3.1169274722,0.0490162506,0.0490162506,GGA,Pm,AB16C32D8_mP57_6_a_4a4b4c_8a8b8c_4a4b:H-Mg-O-Si,57.0,"Invalid WP multiplicities - AB16C32D8_mP57_6_a_4a4b8c_8a8b16c_4a4b:H-Mg-O-Si, expected Mg24Si8HO48 to be Mg16Si8HO32" +mp-24784,Mg16Si8HO32,-7.1094891109,-3.0622296399,0.1037140829,0.1037140829,GGA,Pmm2,AB16C32D8_oP57_25_a_abcdef2i_2a2b2c2d2e2f4i_2e2f:H-Mg-O-Si,57.0,"Invalid WP multiplicities - AB16C32D8_oP57_25_a_abcdef2i_2a2b2c2d2e2f6i_2e2f:H-Mg-O-Si, expected Mg16Si8HO40 to be Mg16Si8HO32" +mp-1190722,MgU2(SiO8)2,-7.5274354905,-2.0902566567,0.5235474951,0.5235474951,GGA,C2/m,AB16C2D2_mC42_12_a_4i2j_i_i:Mg-O-Si-U,21.0,AB16C2D2_mC42_12_a_4i2j_i_i:Mg-O-Si-U +mp-696497,Mg3Si4(HO6)2,-7.3881713757,-2.9763699998,0.0,-0.0083230373,GGA,P-1,A2B3C12D4_aP21_2_i_ai_6i_2i:H-Mg-O-Si,21.0,A2B3C12D4_aP21_2_i_ai_6i_2i:H-Mg-O-Si +mp-1192407,MgSi(HO)6,-5.9911977757,-1.9153344459,0.0714183165,0.0714183165,GGA,P2_1,A6BC6D_mP28_4_6a_a_6a_a:H-Mg-O-Si,28.0,A6BC6D_mP28_4_6a_a_6a_a:H-Mg-O-Si +mp-1193955,MgSi(HO)6,-6.0001221921,-1.9242588623,0.0624939001,0.0624939001,GGA,P2_1,A6BC6D_mP28_4_6a_a_6a_a:H-Mg-O-Si,28.0,A6BC6D_mP28_4_6a_a_6a_a:H-Mg-O-Si +mp-1211175,MgSi3HO12,-6.3209030312,-1.5780074594,0.6464500379,0.6464500379,GGA,P2_1/m,ABC12D3_mP34_11_e_a_6e3f_3e:H-Mg-O-Si,34.0,ABC12D3_mP34_11_e_a_6e3f_3e:H-Mg-O-Si +mp-1180497,MgU2Si2O17,-7.4753205709,-2.0604367427,0.4345581294,0.4345581294,GGA,C2/m,AB17C2D2_mC44_12_a_c4i2j_i_i:Mg-O-Si-U,22.0,AB17C2D2_mC44_12_a_d4i2j_i_i:Mg-O-Si-U +mp-707534,Mg16Si7HO32,-6.9602697891,-2.9376185067,0.1353927945,0.1353927945,GGA,P1,AB16C32D7_aP56_1_a_16a_32a_7a:H-Mg-O-Si,56.0,AB16C32D7_aP56_1_a_16a_32a_7a:H-Mg-O-Si +mp-695890,Mg10Si3(H2O9)2,-6.6780993886,-2.8240978008,0.032716012,0.032716012,GGA,Pnnm,A4B10C18D3_oP70_58_h_efgh_3g3h_ag:H-Mg-O-Si,70.0,A4B10C18D3_oP70_58_h_efgh_3g3h_ag:H-Mg-O-Si +mp-722896,Mg7Si4(HO8)2,-7.031380556,-2.9335976616,0.0956907335,0.0956907335,GGA,Pmma,A2B7C16D4_oP58_51_ef_adel_2e2fij2l_ij:H-Mg-O-Si,58.0,A2B7C16D4_oP58_51_ef_adel_2e2fij2l_ij:H-Mg-O-Si +mp-1078877,MgSi(HO2)2,-6.5631867375,-2.3634611106,0.1518157083,0.1518157083,GGA,Pm,A2BC4D_mP8_6_ab_a_2a2b_b:H-Mg-O-Si,8.0,A2BC4D_mP8_6_ab_a_2a2b_b:H-Mg-O-Si +mp-1078468,MgSi(HO2)2,-6.553856615,-2.3541309881,0.1611458308,0.1611458308,GGA,P2/m,A2BC4D_mP8_10_ah_c_mn_e:H-Mg-O-Si,8.0,A2BC4D_mP8_10_ae_c_mn_h:H-Mg-O-Si +mp-23764,Mg3Si2H4O9,-6.6887656756,-2.5919557427,0.0002566164,-0.0005240968,GGA,P31m,A4B3C9D2_hP18_157_ac_c_ab2c_b:H-Mg-O-Si,18.0,A4B3C9D2_hP18_157_ac_c_ab2c_b:H-Mg-O-Si +mp-24097,Mg3Si2H4O9,-6.6890222919,-2.5922123591,0.0,-0.0007807132,GGA,P6_3cm,A4B3C9D2_hP36_185_ac_c_ab2c_b:H-Mg-O-Si,36.0,A4B3C9D2_hP36_185_ac_c_ab2c_b:H-Mg-O-Si +mp-1180494,Mg7Si2(H3O7)2,-6.4449076338,-2.5944733359,0.0008753128,0.0008753128,GGA,P6_3,A6B7C14D2_hP58_173_2c_b2c_ab4c_ab:H-Mg-O-Si,58.0,A6B7C14D2_hP58_173_2c_b2c_ab4c_ab:H-Mg-O-Si +mp-556361,SrV2ZnO7,-7.6106306836,-2.5430061216,0.0010004685,0.0010004685,GGA+U,P2_1/c,A7BC2D_mP44_14_7e_e_2e_e:O-Sr-V-Zn,44.0,"Invalid WP multiplicities - A7BC2D_mP44_14_24e_e_7e_e:O-Sr-V-Zn, expected SrV7ZnO24 to be SrV2ZnO7" +mp-15526,SrVZnP2O9,-7.5819547551,-2.7691014302,0.0069150139,0.0069150139,GGA+U,Pbca,A9B2CDE_oP112_61_9c_2c_c_c_c:O-P-Sr-V-Zn,112.0,"Invalid WP multiplicities - A9B2CDE_oP112_61_12c_2c_c_c_c:O-P-Sr-V-Zn, expected SrVZn(PO6)2 to be SrVZnP2O9" +mp-1046426,SrVZn(PO4)2,-7.553905613099999,-2.7513473179,0.0359955896,0.0359955896,GGA+U,P-1,A8B2CDE_aP26_2_8i_2i_i_i_i:O-P-Sr-V-Zn,26.0,"Invalid WP multiplicities - A8B2CDE_aP26_2_14i_2i_i_i_i:O-P-Sr-V-Zn, expected SrVZn(PO7)2 to be SrVZn(PO4)2" +mp-1341074,SrVZn(PO4)2,-4.1668891962,0.635669099,3.4230120065,3.4230120065,GGA+U,P-1,A8B2CDE_aP26_2_8i_2i_i_i_i:O-P-Sr-V-Zn,26.0,"Invalid WP multiplicities - A8B2CDE_aP26_2_14i_2i_i_i_i:O-P-Sr-V-Zn, expected SrVZn(PO7)2 to be SrVZn(PO4)2" +mp-549237,Sr2Fe2S2OF2,-6.5539444917,-2.402658302,0.0415360152,0.0415360152,GGA+U,I4/mmm,A2B2CD2E2_tI18_139_d_c_a_e_e:F-Fe-O-S-Sr,18.0,A2B2CD2E2_tI18_139_d_c_a_e_e:F-Fe-O-S-Sr +mp-756412,Li4V3Cr3(WO8)2,-8.4174542104,-2.3849602130000003,0.0061910127,0.0061910127,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Cr-Li-O-V-W,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Cr-Li-O-V-W, expected Li4V3Cr3(WO10)2 to be Li4V3Cr3(WO8)2" +mp-1097234,VCrW2,-6.285427625,4.877875875,4.9536576233,4.9536576233,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-V-W,4.0,ABC2_oI8_71_a_b_e:Cr-V-W +mp-757863,Li4VCr(WO6)2,-7.901231101,-2.3187726009,0.0516040974,0.0516040974,GGA+U,P1,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-V-W,40.0,AB4C12DE2_aP20_1_a_4a_12a_a_2a:Cr-Li-O-V-W +mp-775969,V3Cr3(WO8)2,-8.9948154879,-2.2750596354,0.0975341217,0.0975341217,GGA+U,P1,A3B16C3D2_aP24_1_3a_16a_3a_2a:Cr-O-V-W,24.0,A3B16C3D2_aP24_1_3a_16a_3a_2a:Cr-O-V-W +mp-1097114,VCr2W,-5.886735295,4.450297515,4.5152858892,4.5152858892,GGA,Immm,A2BC_oI8_71_e_a_b:Cr-V-W,4.0,A2BC_oI8_71_e_a_b:Cr-V-W +mp-1097105,V2CrW,-6.036105375,4.158642085,4.2136894375,4.2136894375,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-V-W,4.0,AB2C_oI8_71_a_e_b:Cr-V-W +mp-1105877,Si2Ni3H4O9,-6.7473715967,-1.9539188922,0.0,-0.0205762563,GGA+U,P31m,A4B3C9D2_hP18_157_ac_c_ab2c_b:H-Ni-O-Si,18.0,A4B3C9D2_hP18_157_ac_c_ab2c_b:H-Ni-O-Si +mp-40144,SiNiH12(OF)6,-5.4252522431,-1.8457455768,0.0,-0.0131654231,GGA+U,R-3,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Ni-O-Si,104.0,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Ni-O-Si +mp-2228614,K3YbMgV2O8,-6.7544061073,-2.4735789739,0.1926683235,0.1926683235,GGA+U,C2/m,A3BC8D2E_mC30_12_ci_b_2ij_i_a:K-Mg-O-V-Yb,,"Invalid WP multiplicities - A3BC8D2E_mC30_12_ci_a_3i2j_i_b:K-Mg-O-V-Yb, expected K3YbMgV2O14 to be K3YbMgV2O8" +mp-2228057,Yb2MgV2O8,-7.8058277546,-3.0042263362,0.0,-0.0640202853,GGA+U,P1,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-V-Yb,,AB8C2D2_aP13_1_a_8a_2a_2a:Mg-O-V-Yb +mp-774608,V3Fe2Sb(PO4)6,-8.006495295,-2.4642423511,0.0593306483,0.0593306483,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Sb-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Fe-O-P-Sb-V, expected V3Fe2Sb(PO10)6 to be V3Fe2Sb(PO4)6" +mp-760831,V2Fe3Sb(PO4)6,-7.922897635,-2.3976970483,0.0655140463,0.0655140463,GGA+U,R3,A3B24C6DE2_hR108_146_3a_8b_2b_a_2a:Fe-O-P-Sb-V,36.0,"Invalid WP multiplicities - A3B24C6DE2_hR108_146_3a_20b_2b_a_2a:Fe-O-P-Sb-V, expected V2Fe3Sb(PO10)6 to be V2Fe3Sb(PO4)6" +mp-752811,VFe3Sb2(PO4)6,-7.7440434081,-2.3564790667,0.0491241289,0.0491241289,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Fe-O-P-Sb-V,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Fe-O-P-Sb-V, expected VFe3Sb2(PO10)6 to be VFe3Sb2(PO4)6" +mp-757725,V3FeSb2(PO4)6,-7.8739840836,-2.4523150278,0.0740119774,0.0740119774,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Fe-O-P-Sb-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Fe-O-P-Sb-V, expected V3FeSb2(PO10)6 to be V3FeSb2(PO4)6" +mp-24117,CrFeH18(NF)6,-5.5135953545,-1.1173459531,0.0142132872,0.0142132872,GGA+U,Pa-3,AB6CD18E6_cP128_205_a_d_b_3d_d:Cr-F-Fe-H-N,128.0,"Invalid WP multiplicities - AB6CD18E6_cP128_205_a_d_b_6d_d:Cr-F-Fe-H-N, expected CrFeH36(NF)6 to be CrFeH18(NF)6" +mp-1517759,KPrYNbO6,-8.3821679,-3.1682465877,0.1871818884,0.1871818884,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Y,10.0,ABC6DE_cF40_216_c_a_f_d_b:K-Nb-O-Pr-Y +mp-557367,K2CaAs2O7,-6.300532089,-2.2862441254,0.0,-0.0279416686,GGA,P2_1/c,A2BC2D7_mP48_14_2e_e_2e_7e:As-Ca-K-O,48.0,"Invalid WP multiplicities - A2BC2D7_mP48_14_5e_e_5e_23e:As-Ca-K-O, expected K5CaAs5O23 to be K2CaAs2O7" +mp-1104700,KCaAsO12,-5.018927584,-0.5432354662000001,0.5994352568,0.5994352568,GGA,Amm2,ABCD12_oC30_38_b_a_a_2cdef:As-Ca-K-O,15.0,ABCD12_oC30_38_b_a_a_2cdef:As-Ca-K-O +mp-1180993,KCaAsO12,-5.2411942413,-0.7655021235,0.3771685995,0.3771685995,GGA,Amm2,ABCD12_oC30_38_b_a_a_2cdef:As-Ca-K-O,15.0,ABCD12_oC30_38_b_a_a_2cdef:As-Ca-K-O +mp-1212119,KCaAs(H4O3)4,-5.461285921,-1.5445440343,0.0050580483,0.0050580483,GGA,Amm2,ABC16DE12_oC62_38_b_a_4f_a_2cdef:As-Ca-H-K-O,31.0,ABC16DE12_oC62_38_b_a_4f_a_2cdef:As-Ca-H-K-O +mp-1237884,KCaAs(H4O3)4,-4.9464829532,-1.0297410665,0.519861016,0.519861016,GGA,Amm2,ABC16DE12_oC62_38_b_a_4f_a_2cdef:As-Ca-H-K-O,31.0,ABC16DE12_oC62_38_b_a_4f_a_2cdef:As-Ca-H-K-O +mp-1105914,KCaH3,-3.1376771445,-0.4788417521,0.0367476295,0.0367476295,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ca-H-K,20.0,AB3C_oP20_62_a_cd_c:Ca-H-K +mp-1522166,SrEuYWO6,-9.107421772,-3.0022988856,0.1424309941,0.1424309941,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:Eu-O-Sr-W-Y +mp-555575,Rb2AgC3(SN)3,-6.27240056,-0.4475293099,0.0524203164,0.0524203164,GGA,P2_1/c,AB3C3D2E3_mP48_14_e_3e_3e_2e_3e:Ag-C-N-Rb-S,48.0,"Invalid WP multiplicities - AB3C3D2E3_mP48_14_e_12e_10e_5e_10e:Ag-C-N-Rb-S, expected Rb5AgC12(SN)10 to be Rb2AgC3(SN)3" +mp-728890,CuAgC3S3N7,-6.5898322907,0.4356725911,0.5613640507000001,0.5613640507000001,GGA,C2/m,AB3CD7E3_mC60_12_g_ij_g_i3j_ij:Ag-C-Cu-N-S,30.0,AB3CD7E3_mC60_12_g_ij_g_i3j_ij:Ag-C-Cu-N-S +mp-6615,C2Se(SN)2,-6.5284392339,0.1714367727,0.3066395689,0.3066395689,GGA,Pnma,A2B2C2D_oP28_62_d_d_d_c:C-N-S-Se,28.0,A2B2C2D_oP28_62_d_d_d_c:C-N-S-Se +mp-1220770,Ni2C15Se4S16N,-6.1203946047,0.1557526177,0.4268475059,0.4268475059,GGA,P1,A15BC2D16E4_aP38_1_15a_a_2a_16a_4a:C-N-Ni-S-Se,38.0,A15BC2D16E4_aP38_1_15a_a_2a_16a_4a:C-N-Ni-S-Se +mp-1522359,Sr2GdWO6,-9.1109275955,-3.1015904311,0.0415163398,0.0415163398,GGA+U,Pn-3,AB6C2D_cP40_201_b_h_ad_c:Gd-O-Sr-W,40.0,AB6C2D_cP40_201_b_h_ad_c:Gd-O-Sr-W +mp-1522401,Sr2GdWO6,-9.000024738,-2.9906875736,0.1524191973,0.1524191973,GGA+U,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Gd-O-Sr-W,10.0,AB6C2D_cF40_225_a_e_c_b:Gd-O-Sr-W +mp-1518642,KSrGdWO6,-8.8742754555,-2.9228477417,0.0137095526,0.0137095526,GGA+U,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Gd-K-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Gd-K-O-Sr-W, expected K2SrGdWO12 to be KSrGdWO6" +mp-1518594,KSrGdWO6,-8.863421757,-2.9119940432,0.0245632511,0.0245632511,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Gd-K-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Gd-K-O-Sr-W +mp-554894,MgTlP(H6O5)2,-5.6402412618,-1.6580082476,0.0,-0.0009247703,GGA,Pmn2_1,A12BC10DE_oP50_31_2a5b_a_4a3b_a_a:H-Mg-O-P-Tl,50.0,"Invalid WP multiplicities - A12BC10DE_oP50_31_4a18b_a_8a12b_a_a:H-Mg-O-P-Tl, expected MgTlP(H5O4)8 to be MgTlP(H6O5)2" +mp-1192073,MgTl2(PO4)4,-6.471830767,-1.8141874735,0.3770418965,0.3770418965,GGA,P-1,AB16C4D2_aP23_2_a_8i_2i_i:Mg-O-P-Tl,23.0,AB16C4D2_aP23_2_a_8i_2i_i:Mg-O-P-Tl +mp-1197463,H2Pb(CO2)2,-6.7126160436,-1.2968177114,0.1360833511,0.1360833511,GGA,P2_12_12_1,A2B2C4D_oP36_19_2a_2a_4a_a:C-H-O-Pb,36.0,A2B2C4D_oP36_19_2a_2a_4a_a:C-H-O-Pb +mp-1204872,ZrH8Pb(C3O8)2,-7.0948313185,-1.6597948062,0.0422865964,0.0422865964,GGA,P2_1/c,A6B8C16DE_mP128_14_6e_8e_16e_e_e:C-H-O-Pb-Zr,128.0,A6B8C16DE_mP128_14_6e_8e_16e_e_e:C-H-O-Pb-Zr +mp-600174,H4Pb(CO3)2,-6.4566493269,-1.424263596,0.0678739057,0.0678739057,GGA,Pnma,A2B4C6D_oP52_62_d_2d_2c2d_c:C-H-O-Pb,52.0,"Invalid WP multiplicities - A2B4C6D_oP52_62_d_10d_6c12d_c:C-H-O-Pb, expected H20Pb(CO15)2 to be H4Pb(CO3)2" +mp-1197902,H14Pb6C8O13,-6.0934678982,-1.0224843802,0.0756382888,0.0756382888,GGA,P-1,A8B14C13D6_aP82_2_8i_14i_13i_6i:C-H-O-Pb,82.0,A8B14C13D6_aP82_2_8i_14i_13i_6i:C-H-O-Pb +mp-1199472,H14Pb6C8O13,-6.0928387989,-1.0218552809,0.0762673881,0.0762673881,GGA,P-1,A8B14C13D6_aP82_2_8i_14i_13i_6i:C-H-O-Pb,82.0,A8B14C13D6_aP82_2_8i_14i_13i_6i:C-H-O-Pb +mp-1079992,Zr2PbC,-8.1681428225,-0.6589643669,0.0,-0.1841861421,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-Pb-Zr,8.0,ABC2_hP8_194_a_c_f:C-Pb-Zr +mp-24747,Na3H6Rh,-3.596194252,-0.42737025,0.0,-0.256490414,GGA,Pnma,A6B3C_oP40_62_2c2d_3c_c:H-Na-Rh,40.0,A6B3C_oP40_62_2c2d_3c_c:H-Na-Rh +mp-1201841,NaH9Rh2C5O12,-6.4602044028,-1.215746905,0.1562502209,0.1562502209,GGA,P2_1/c,A5B9CD12E2_mP116_14_5e_9e_e_12e_2e:C-H-Na-O-Rh,116.0,A5B9CD12E2_mP116_14_5e_9e_e_12e_2e:C-H-Na-O-Rh +mp-768120,Na2GaPCO7,-6.9327965487,-2.3543019165,0.0,-0.0167904195,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ga-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ga-Na-O-P, expected Na2GaPCO13 to be Na2GaPCO7" +mp-1193611,BaTeS3O2,-4.9447070029,-1.0354201662,0.550238705,0.550238705,GGA,Pbcm,AB2C3D_oP28_57_c_e_de_d:Ba-O-S-Te,28.0,AB2C3D_oP28_57_c_e_de_d:Ba-O-S-Te +mp-1193998,BaTe(SO2)4,-5.7485101543,-1.3783965835,0.4506423578,0.4506423578,GGA,C2/m,AB8C4D_mC56_12_i_2i3j_2j_i:Ba-O-S-Te,28.0,AB8C4D_mC56_12_i_2i3j_2j_i:Ba-O-S-Te +mp-1182586,BaTeS4O9,-5.535653025,-1.1271011115,0.7323063559,0.7323063559,GGA,P2_1/c,AB9C4D_mP60_14_e_9e_4e_e:Ba-O-S-Te,60.0,AB9C4D_mP60_14_e_9e_4e_e:Ba-O-S-Te +mp-1214721,BaTeH3(S2O3)2,-4.9806380092,-0.8828786289,0.6669260862,0.6669260862,GGA,P2_1/c,AB3C6D4E_mP60_14_e_3e_6e_4e_e:Ba-H-O-S-Te,60.0,AB3C6D4E_mP60_14_e_3e_6e_4e_e:Ba-H-O-S-Te +mp-767430,Na3CdPCO7,-6.4323965827,-2.2663000736,0.0,-0.0166818852,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cd-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cd-Na-O-P, expected Na4CdPCO13 to be Na3CdPCO7" +mp-1209857,Rb2Ni(SO7)2,-5.4016468939,-0.9138707615,0.4662327977,0.4662327977,GGA+U,P2_1/c,AB14C2D2_mP38_14_a_7e_e_e:Ni-O-Rb-S,38.0,AB14C2D2_mP38_14_a_7e_e_e:Ni-O-Rb-S +mp-1209582,Rb2Ni2(SO4)3,-6.4143914349,-1.9253937696,0.0,-0.0090845725,GGA+U,P2_13,A2B12C2D3_cP76_198_2a_4b_2a_b:Ni-O-Rb-S,76.0,A2B12C2D3_cP76_198_2a_4b_2a_b:Ni-O-Rb-S +mp-24688,Rb2NiH12(SO7)2,-5.6696390385,-1.6057532625,0.0,-0.0090365131,GGA+U,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Ni-O-Rb-S,62.0,"Invalid WP multiplicities - A12BC14D2E2_mP62_14_8e_a_12e_e_e:H-Ni-O-Rb-S, expected Rb2NiH16(SO12)2 to be Rb2NiH12(SO7)2" +mp-1223649,KNb2(PS6)2,-5.8041086612,-0.9936961645,0.0,-0.0093573695,GGA,Ibca,AB2C2D12_oI136_73_c_f_cd_6f:K-Nb-P-S,68.0,"Invalid WP multiplicities - AB2C2D12_oI136_73_c_f_2c2d_11f:K-Nb-P-S, expected KNb2(P2S11)2 to be KNb2(PS6)2" +mp-1223407,KNb4Ag(PS10)2,-5.9138452911,-0.9887103817,0.0,-0.0010123609,GGA,P1,ABC4D2E20_aP28_1_a_a_4a_2a_20a:Ag-K-Nb-P-S,28.0,ABC4D2E20_aP28_1_a_a_4a_2a_20a:Ag-K-Nb-P-S +mp-542972,KNb2PS10,-5.9385577066,-1.0749284064,0.0,-0.0190616569,GGA,Pca2_1,AB2CD10_oP56_29_a_2a_a_10a:K-Nb-P-S,56.0,AB2CD10_oP56_29_a_2a_a_10a:K-Nb-P-S +mp-12532,KAg2PS4,-4.3193373725,-0.7275107565000001,0.0,-0.0236781651,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-K-P-S,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-K-P-S +mp-1202293,Ba3Ge2B7H3O20,-7.4491521354,-2.5671328415,0.0408767541,0.0408767541,GGA,Cc,A7B3C2D3E20_mC140_9_7a_3a_2a_3a_20a:B-Ba-Ge-H-O,70.0,A7B3C2D3E20_mC140_9_7a_3a_2a_3a_20a:B-Ba-Ge-H-O +mp-1033792,Mg14CrCO16,-6.4230051775,-2.6594847699,0.2534068688,0.2534068688,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-Cr-Mg-O, expected Mg18CrCO20 to be Mg14CrCO16" +mp-1033791,Mg14CrCO16,-6.4135699434,-2.6500495359,0.2628421029,0.2628421029,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-Cr-Mg-O, expected Mg30CrCO32 to be Mg14CrCO16" +mp-1026556,Mg14CrC,-2.269663225,0.3106888789,0.3371110632,0.3371110632,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-Cr-Mg, expected Mg18CrC to be Mg14CrC" +mp-1026487,Mg14CrC,-2.2374628219,0.342889282,0.3693114664,0.3693114664,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-Cr-Mg, expected Mg26CrC to be Mg14CrC" +mp-1210937,MgCrH3(CO3)2,-6.5359983727,-1.184539226,0.6648222167000001,0.6648222167000001,GGA+U,P-1,A2BC3DE6_aP26_2_2i_i_3i_i_6i:C-Cr-H-Mg-O,26.0,A2BC3DE6_aP26_2_2i_i_3i_i_6i:C-Cr-H-Mg-O +mp-1033328,Mg6CrCO8,-6.5320826456,-2.2785262111,0.493216767,0.493216767,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-Cr-Mg-O, expected Mg6CrCO12 to be Mg6CrCO8" +mp-1099230,Mg6CrCO8,-6.5227429594,-2.2691865248,0.5025564532,0.5025564532,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-Cr-Mg-O, expected Mg6CrCO12 to be Mg6CrCO8" +mp-1038567,Mg30CrCO32,-6.3650881266,-2.8465857325,0.1368802366,0.1368802366,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-Cr-Mg-O, expected Mg110CrCO72 to be Mg30CrCO32" +mp-1038542,Mg30CrCO32,-6.3741742714,-2.8556718773,0.1277940917,0.1277940917,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-Cr-Mg-O, expected Mg90CrCO80 to be Mg30CrCO32" +mp-1016677,Mg6CrC,-3.3177100344,0.2427141234,0.2772085045,0.2772085045,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:C-Cr-Mg, expected Mg12CrC to be Mg6CrC" +mp-1100161,Mg6CrC,-2.8980296575,0.6623945003,0.6968888814,0.6968888814,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-Cr-Mg,8.0,ABC6_oC16_38_a_a_2bde:C-Cr-Mg +mp-1211720,K2RbErV2O8,-7.4229331079,-2.7436207788,0.0,-0.011199346,GGA+U,P-3m1,AB2C8DE2_hP14_164_a_d_di_b_d:Er-K-O-Rb-V,14.0,AB2C8DE2_hP14_164_a_d_di_b_d:Er-K-O-Rb-V +mp-768599,LiCuCSO7,-6.5778284141,-1.6687315164,0.0600059342,0.0600059342,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cu-Li-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cu-Li-O-S, expected LiCuCSO13 to be LiCuCSO7" +mp-776330,Li4Cu2C4SO16,-6.8012431741,-1.7630122102,0.0866091653,0.0866091653,GGA,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Cu-Li-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Cu-Li-O-S, expected Li10Cu2C4SO84 to be Li4Cu2C4SO16" +mp-771969,Li2CuCSO7,-6.5305852438,-1.8715028486,0.077065099,0.077065099,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cu-Li-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Cu-Li-O-S, expected Li2CuCSO13 to be Li2CuCSO7" +mp-780401,Li6Cu2C4SO16,-6.7393327945,-1.9169161822,0.0681181697,0.0681181697,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Cu-Li-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:C-Cu-Li-O-S, expected Li6Cu2C4SO20 to be Li6Cu2C4SO16" +mp-1212562,NaCrH12(SO4)2,-4.8451720956,-0.6978931487000001,0.6908808657000001,0.6908808657000001,GGA+U,Pa-3,AB12CD8E2_cP96_205_a_2d_b_cd_c:Cr-H-Na-O-S,96.0,AB12CD8E2_cP96_205_a_2d_b_cd_c:Cr-H-Na-O-S +mp-775341,Na4CrH8SO7,-5.3826114885,-1.5326958766,0.0152748603,0.0152748603,GGA+U,P2_1/c,AB8C4D7E_mP84_14_e_8e_4e_7e_e:Cr-H-Na-O-S,84.0,"Invalid WP multiplicities - AB8C4D7E_mP84_14_e_31e_13e_27e_e:Cr-H-Na-O-S, expected Na13CrH31SO27 to be Na4CrH8SO7" +mp-29456,Rb2IN3,-5.5794122508,-0.8387590392000001,0.0098264383,0.0098264383,GGA,P4/mbm,AB3C2_tP12_127_c_dg_e:I-N-Rb,12.0,AB3C2_tP12_127_c_dg_e:I-N-Rb +mp-1194184,Rb2PtC4(IN2)2,-6.587953645,-0.3387555038,0.2004026201,0.2004026201,GGA,P2_1/c,A4B2C4DE2_mP26_14_2e_e_2e_a_e:C-I-N-Pt-Rb,26.0,A4B2C4DE2_mP26_14_2e_e_2e_a_e:C-I-N-Pt-Rb +mp-1219585,RbI4N3,-2.5369433663,1.4484921647,2.1329145141,2.1329145141,GGA,I4/mmm,A4B3C_tI16_139_ce_ad_b:I-N-Rb,8.0,"Invalid WP multiplicities - A4B3C_tI16_139_2c2e_a2d_b:I-N-Rb, expected RbI8N5 to be RbI4N3" +mp-580962,RbC2I3N2,-5.2985915344,-0.2322222897,0.3779700227,0.3779700227,GGA,Pmmn,A2B3C2D_oP16_59_e_ae_e_b:C-I-N-Rb,16.0,"Invalid WP multiplicities - A2B3C2D_oP16_59_e_2a2e_e_b:C-I-N-Rb, expected RbC2(I3N)2 to be RbC2I3N2" +mp-1213971,CaVCuHO5,-6.995391935,-2.1826272437,0.0183523749,0.0183523749,GGA+U,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:Ca-Cu-H-O-V,36.0,ABCD5E_oP36_19_a_a_a_5a_a:Ca-Cu-H-O-V +mp-1213188,Cu2AgH(SO5)2,-5.8127017494,-1.3024841097,0.0338809096,0.0338809096,GGA,C2/m,AB2CD10E2_mC32_12_c_e_a_3ij_i:Ag-Cu-H-O-S,16.0,AB2CD10E2_mC32_12_a_e_c_3ij_i:Ag-Cu-H-O-S +mp-860963,Ag2H4(SO4)3,-5.7852615868,-1.4516601429,0.0,-0.0062562482,GGA,Pna2_1,A2B4C12D3_oP84_33_2a_4a_12a_3a:Ag-H-O-S,84.0,"Invalid WP multiplicities - A2B4C12D3_oP84_33_5a_13a_45a_9a:Ag-H-O-S, expected Ag5H13(SO5)9 to be Ag2H4(SO4)3" +mp-24072,AgH5S2O9,-5.7206864769,-1.4507285732,0.0,-0.002938336,GGA,P2_1/c,AB5C9D2_mP68_14_e_5e_9e_2e:Ag-H-O-S,68.0,AB5C9D2_mP68_14_e_5e_9e_2e:Ag-H-O-S +mp-1517951,CaVSnWO6,-8.035436965,-2.2617029348,0.1847380908,0.1847380908,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-V-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:Ca-O-Sn-V-W +mp-16772,LaCu(WO4)2,-8.6037414383,-2.3933261112,0.0221762349,0.0221762349,GGA+U,P-1,ABC8D2_aP24_2_i_i_8i_2i:Cu-La-O-W,24.0,"Invalid WP multiplicities - ABC8D2_aP24_2_i_i_8i_4i:Cu-La-O-W, expected LaCu(WO2)4 to be LaCu(WO4)2" +mp-1522686,KLaCuWO6,-7.572774787,-2.2943872651,0.1731498175,0.1731498175,GGA+U,F-43m,ABCD6E_cF40_216_a_c_d_f_b:Cu-K-La-O-W,10.0,ABCD6E_cF40_216_a_c_d_f_b:Cu-K-La-O-W +mp-695157,KBaIn2(PO4)3,-7.1372357793,-2.7091877055,0.0029519489,0.0029519489,GGA,P1,AB2CD12E3_aP152_1_8a_16a_8a_96a_24a:Ba-In-K-O-P,152.0,AB2CD12E3_aP152_1_8a_16a_8a_96a_24a:Ba-In-K-O-P +mp-694012,Ca3YAl3B4O15,-8.1236885424,-3.3299233118,0.0332290025,0.0332290025,GGA,Pm,A3B4C3D15E_mP104_6_6c_3a3b5c_3a3b3c_6a6b24c_abc:Al-B-Ca-O-Y,104.0,"Invalid WP multiplicities - A3B4C3D15E_mP104_6_11c_3a3b6c_3a3b3c_6a6b33c_abc:Al-B-Ca-O-Y, expected Ca6Y2Al11(B3O13)3 to be Ca3YAl3B4O15" +mp-743671,K4Ti3Mn(PO4)6,-7.8032975726,-2.8430230663,0.070213326,0.070213326,GGA+U,P2_1,A4BC24D6E3_mP76_4_4a_a_24a_6a_3a:K-Mn-O-P-Ti,76.0,"Invalid WP multiplicities - A4BC24D6E3_mP76_4_6a_a_46a_10a_4a:K-Mn-O-P-Ti, expected K6Ti4Mn(P5O23)2 to be K4Ti3Mn(PO4)6" +mp-1252036,Sr2YAlV2O7,-8.0709213781,-2.9643316112,0.1137012562,0.1137012562,GGA+U,Cm,AB7C2D2E_mC52_8_2a_2a6b_2b_2b_b:Al-O-Sr-V-Y,26.0,"Invalid WP multiplicities - AB7C2D2E_mC52_8_2a_2a12b_4b_4b_b:Al-O-Sr-V-Y, expected Sr4YAlV4O13 to be Sr2YAlV2O7" +mp-1047100,Sr2YAlV2O7,-8.0356159592,-2.9290261924000003,0.149006675,0.149006675,GGA+U,Ima2,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-V-Y,26.0,AB7C2D2E_oI52_46_b_b3c_c_c_a:Al-O-Sr-V-Y +mp-1207869,Y3Al3V2O12,-8.8114724315,-3.4032615563,0.0422776953,0.0422776953,GGA+U,Ia-3d,A3B12C2D3_cI160_230_d_h_a_c:Al-O-V-Y,80.0,A3B12C2D3_cI160_230_d_h_a_c:Al-O-V-Y +mp-1198485,Al2PbC2O11,-6.7654347041000005,-1.5107656079,0.5019541649,0.5019541649,GGA,Pnma,A2B2C11D_oP64_62_d_2c_7c2d_c:Al-C-O-Pb,64.0,A2B2C11D_oP64_62_d_2c_7c2d_c:Al-C-O-Pb +mp-1215072,Al2HPb(CO5)2,-6.7598708956,-1.6023244661,0.5305878711,0.5305878711,GGA,Pnma,A2B2CD10E_oP64_62_d_2c_c_6c2d_c:Al-C-H-O-Pb,64.0,A2B2CD10E_oP64_62_d_2c_c_6c2d_c:Al-C-H-O-Pb +mp-765089,Ti3V2Cu(PO4)6,-8.2480226844,-2.7715271575,0.0678075781,0.0678075781,GGA+U,R3,AB24C6D3E2_hR108_146_a_8b_2b_3a_2a:Cu-O-P-Ti-V,36.0,"Invalid WP multiplicities - AB24C6D3E2_hR108_146_a_20b_2b_3a_2a:Cu-O-P-Ti-V, expected Ti3V2Cu(PO10)6 to be Ti3V2Cu(PO4)6" +mp-752444,Ti3VCu2(PO4)6,-8.0557632925,-2.7177316378,0.0155773965,0.0155773965,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Cu-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Cu-O-P-Ti-V, expected Ti3VCu2(PO10)6 to be Ti3VCu2(PO4)6" +mp-1101412,TiV3Cu2(PO4)6,-7.9459368856,-2.5418822279,0.0165242109,0.0165242109,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Cu-O-P-Ti-V,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_20b_2b_a_3a:Cu-O-P-Ti-V, expected TiV3Cu2(PO10)6 to be TiV3Cu2(PO4)6" +mp-1198029,SnH3NF3,-5.1214225331,-1.5890873059,0.0851937589,0.0851937589,GGA,C2/c,A3B3CD_mC64_15_3f_3f_f_f:F-H-N-Sn,32.0,A3B3CD_mC64_15_3f_3f_f_f:F-H-N-Sn +mp-1246688,ZrSnN2,-8.113953555,-0.8063879713000001,0.1737698096,0.1737698096,GGA,P4/nmm,A2BC_tP8_129_ac_c_c:N-Sn-Zr,8.0,A2BC_tP8_129_ac_c_c:N-Sn-Zr +mp-643902,SnH4(NF)2,-5.3878957244,-1.1571819667,0.0,-0.0176589882,GGA,C2/m,A2B4C2D_mC18_12_i_2i_i_a:F-H-N-Sn,9.0,A2B4C2D_mC18_12_i_2i_i_a:F-H-N-Sn +mp-24113,SnH8(NF3)2,-5.0884956871,-1.6006578124000002,0.0,-0.0264524245,GGA,P-3m1,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Sn,17.0,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Sn +mp-863000,SnH6(NF2)2,-5.2126427181,-1.4676554992,0.0,-0.0072134688,GGA,P2_1/c,A4B6C2D_mP26_14_2e_3e_e_a:F-H-N-Sn,26.0,A4B6C2D_mP26_14_2e_3e_e_a:F-H-N-Sn +mp-1189871,Zr5Sn3N,-7.9009295611,-0.8894058233000001,0.0,-0.0199749868,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:N-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:N-Sn-Zr +mp-1203170,ZrSnH4NF7,-5.8809470187,-2.4634452786,0.0,-0.0261116077,GGA,Pmna,A7B4CDE_oP56_53_e4hi_2i_g_h_h:F-H-N-Sn-Zr,56.0,A7B4CDE_oP56_53_e4hi_2i_g_h_h:F-H-N-Sn-Zr +mp-706590,NaAl(H2N)4,-4.6357314095,0.0468321036,0.641750975,0.641750975,GGA,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na,56.0,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na +mp-740733,NaAl(H2N)4,-4.6699996625,0.0125638506,0.6074827220000001,0.6074827220000001,GGA,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na,56.0,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na +mp-1251411,NaAl(H2N)4,-4.7223873207,-0.0398238076,0.5550950637000001,0.5550950637000001,GGA,P2_1/c,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na,56.0,AB8C4D_mP56_14_e_8e_4e_e:Al-H-N-Na +mp-1189460,NaAlH8(NF3)2,-5.2569057467,-1.9040294612,0.0133521869,0.0133521869,GGA,Fm-3m,AB6C8D2E_cF72_225_a_e_f_c_b:Al-F-H-N-Na,18.0,AB6C8D2E_cF72_225_a_e_f_c_b:Al-F-H-N-Na +mp-24116,MnCrH18(NF)6,-5.5410779169,-1.1232037004,0.0363710244,0.0363710244,GGA+U,Pa-3,AB6C18DE6_cP128_205_a_d_3d_b_d:Cr-F-H-Mn-N,128.0,"Invalid WP multiplicities - AB6C18DE6_cP128_205_a_d_6d_b_d:Cr-F-H-Mn-N, expected MnCrH36(NF)6 to be MnCrH18(NF)6" +mp-648833,K2IrCBr5O,-4.496309183,-1.1963363902,0.2060352181,0.2060352181,GGA,Pnma,A5BCD2E_oP40_62_3cd_c_c_d_c:Br-C-Ir-K-O,40.0,"Invalid WP multiplicities - A5BCD2E_oP40_62_12c4d_c_c_d_c:Br-C-Ir-K-O, expected K2IrCBr20O to be K2IrCBr5O" +mp-7827,K2Ni(CN)4,-7.3815287577,-0.2668400083,0.0844575707,0.0844575707,GGA,P2_1/c,A4B2C4D_mP22_14_2e_e_2e_a:C-K-N-Ni,22.0,"Invalid WP multiplicities - A4B2C4D_mP22_14_2e_e_3e_a:C-K-N-Ni, expected K2Ni(C2N3)2 to be K2Ni(CN)4" +mp-14083,K2FeNi(CN)6,-7.7828861537,-0.1665162607,0.1412062211,0.1412062211,GGA,Fm-3m,A6BC2D6E_cF64_225_e_a_c_e_b:C-Fe-K-N-Ni,16.0,A6BC2D6E_cF64_225_e_a_c_e_b:C-Fe-K-N-Ni +mp-39273,KFeNi(CN)6,-7.9914318193,0.0586694701,0.2607318888,0.2607318888,GGA,F-43m,A6BCD6E_cF60_216_f_a_c_f_b:C-Fe-K-N-Ni,15.0,A6BCD6E_cF60_216_f_a_c_f_b:C-Fe-K-N-Ni +mp-1204089,CsLiU(PS4)2,-5.6048510346,-1.1422403271,0.0,-0.0075285102,GGA,R-3c,ABC2D8E_hR234_167_ac_e_f_4f_e:Cs-Li-P-S-U,78.0,ABC2D8E_hR234_167_ac_e_f_4f_e:Cs-Li-P-S-U +mp-1522688,KZrInWO6,-7.980380489,-2.4755759086,0.1158412196,0.1158412196,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:In-K-O-W-Zr,10.0,ABC6DE_cF40_216_c_d_f_a_b:In-K-O-W-Zr +mp-6413,LiDy(PO3)4,-7.7936520119,-2.9309195526,0.0029157762,0.0029157762,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Dy-Li-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Dy-Li-O-P +mp-767279,Li2DyPCO7,-7.5914217821,-2.7836366528000003,0.0939073508,0.0939073508,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Dy-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Dy-Li-O-P, expected Li2DyPCO13 to be Li2DyPCO7" +mp-1209688,RbC4N3O4,-7.6514776254,-0.7605246535,0.3157133936,0.3157133936,GGA,P-1,A4B3C4D_aP24_2_4i_3i_4i_i:C-N-O-Rb,24.0,A4B3C4D_aP24_2_4i_3i_4i_i:C-N-O-Rb +mp-1203396,Rb2PdC4N4O,-6.916555939,-0.0541992443,0.5490482594,0.5490482594,GGA,Pnna,A4B4CDE2_oP48_52_2e_2e_d_a_cd:C-N-O-Pd-Rb,48.0,A4B4CDE2_oP48_52_2e_2e_d_a_cd:C-N-O-Pd-Rb +mp-1219568,RbCNO,-7.1101730188,-1.2370772184,0.0,-0.0034837056,GGA,Ima2,ABCD_oI16_46_b_b_b_a:C-N-O-Rb,8.0,ABCD_oI16_46_b_b_b_a:C-N-O-Rb +mp-1520163,KTbSnWO6,-7.7231080155,-2.4838480756,0.1292395401,0.1292395401,GGA+U,P4_2/mmc,AB6CDE_tP20_131_e_iq_f_c_d:K-O-Sn-Tb-W,20.0,AB6CDE_tP20_131_e_iq_f_c_d:K-O-Sn-Tb-W +mp-1520374,KTbSnWO6,-7.715004974,-2.475745034,0.1373425816,0.1373425816,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sn-Tb-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sn-Tb-W +mp-1195392,Na5ErH6WO10,-6.0763235316,-1.991031406,0.0112465991,0.0112465991,GGA+U,C2/c,AB6C5D10E_mC184_15_2e_6f_2e4f_10f_f:Er-H-Na-O-W,92.0,AB6C5D10E_mC184_15_2e_6f_2e4f_10f_f:Er-H-Na-O-W +mp-555842,Na3WO4F,-6.6676504733,-2.376101593,0.0044471994,0.0044471994,GGA+U,Pnma,AB3C4D_oP36_62_c_cd_2cd_c:F-Na-O-W,36.0,"Invalid WP multiplicities - AB3C4D_oP36_62_c_3c4d_7c6d_c:F-Na-O-W, expected Na11WO19F to be Na3WO4F" +mp-505382,Na2W(OF2)2,-6.4362450031,-2.7537478798,0.0,-0.0657436769,GGA+U,Pbcn,A4B2C2D_oP36_60_2d_2c_d_c:F-Na-O-W,36.0,A4B2C2D_oP36_60_2d_2c_d_c:F-Na-O-W +mp-1189708,Na3Ag3W2(OF)6,-6.125259247,-2.1487337259,0.001897867,0.001897867,GGA+U,R-3,A3B6C3D6E2_hR60_148_ac_f_bc_f_c:Ag-F-Na-O-W,20.0,A3B6C3D6E2_hR60_148_ac_f_bc_f_c:Ag-F-Na-O-W +mp-731047,MoP2N2O9,-7.1938920034,-1.2749317624,0.6633703905,0.6633703905,GGA+U,C2/c,AB2C9D2_mC112_15_f_2f_9f_2f:Mo-N-O-P,56.0,AB2C9D2_mC112_15_f_2f_9f_2f:Mo-N-O-P +mp-818716,MoPNO7,-7.4585159792,-1.5362891272,0.3198254358,0.3198254358,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Mo-N-O-P,40.0,ABC7D_mP40_14_e_e_7e_e:Mo-N-O-P +mp-1203523,MoPNO7,-7.6163948005,-1.6941679485,0.1619466145,0.1619466145,GGA+U,P2_1/c,ABC7D_mP40_14_e_e_7e_e:Mo-N-O-P,40.0,ABC7D_mP40_14_e_e_7e_e:Mo-N-O-P +mp-1224483,Mo12PN3O61,-6.2736564997,-0.2695188376,1.1487631753,1.1487631753,GGA+U,P-43m,A12B3C61D_cP77_215_i_c_def4i_b:Mo-N-O-P,77.0,A12B3C61D_cP77_215_i_c_def4i_b:Mo-N-O-P +mp-1197674,Mo2P2NO11,-7.4772617958,-1.5230132969,0.6038750516,0.6038750516,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Mo-N-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Mo-N-O-P +mp-1104471,Mo(Br2N)2,-4.0520645371,0.7666145029,1.3615953664,1.3615953664,GGA,I4/mmm,A4BC2_tI28_139_n_e_h:Br-Mo-N,14.0,A4BC2_tI28_139_n_e_h:Br-Mo-N +mp-1211933,Mo8P9Br(N3O14)4,-6.7408300681,-0.7630340367,1.0422151485,1.0422151485,GGA+U,P-4,AB8C12D56E9_tP86_81_a_2h_ef2h_2g13h_c2h:Br-Mo-N-O-P,86.0,AB8C12D56E9_tP86_81_a_2h_ef2h_2g13h_c2h:Br-Mo-N-O-P +mp-1198730,MoBr5N2O,-3.9867130064,0.4833392515,1.1510425622,1.1510425622,GGA+U,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Br-Mo-N-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Br-Mo-N-O +mp-1181309,LiCe(C2O5)2,-7.5546974423,-1.6657248733,0.5714694355000001,0.5714694355000001,GGA,P2/c,A4BCD10_mP64_13_2e3g_g_g_10g:C-Ce-Li-O,64.0,A4BCD10_mP64_13_2e3g_g_g_10g:C-Ce-Li-O +mp-1199613,LiCe(C2O5)2,-7.5065254439,-1.6175528749,0.6196414339,0.6196414339,GGA,P2/c,A4BCD10_mP64_13_2e3g_g_g_10g:C-Ce-Li-O,64.0,A4BCD10_mP64_13_2e3g_g_g_10g:C-Ce-Li-O +mp-1205078,LiCe(PO3)4,-7.8465905861,-2.9101746648,0.0,-0.0117984356,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Ce-Li-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Ce-Li-O-P +mp-768198,LiCePCO7,-7.9290424109,-2.7371514109,0.0704401158,0.0704401158,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ce-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ce-Li-O-P, expected LiCePCO13 to be LiCePCO7" +mp-1516686,KLaNbWO6,-8.610788737,-2.732191378,0.1951176212,0.1951176212,GGA+U,F-43m,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-W,10.0,ABCD6E_cF40_216_c_d_a_f_b:K-La-Nb-O-W +mp-1223314,La7Nb3(W2O15)2,-9.2227099364,-3.1979565929,0.0080087906,0.0080087906,GGA+U,P-1,A7B3C30D4_aP44_2_a3i_di_15i_2i:La-Nb-O-W,44.0,"Invalid WP multiplicities - A7B3C30D4_aP44_2_a6i_di_30i_4i:La-Nb-O-W, expected La13Nb3(W2O15)4 to be La7Nb3(W2O15)2" +mp-1518401,NaEuYWO6,-8.941980054,-2.8735539836,0.0359068706,0.0359068706,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-Na-O-W-Y +mp-554599,SnS2(O3F)2,-6.1027943923,-1.9404705931,0.0046510764,0.0046510764,GGA,P2_1/c,A2B6C2D_mP44_14_2e_6e_2e_e:F-O-S-Sn,44.0,"Invalid WP multiplicities - A2B6C2D_mP44_14_6e_20e_4e_e:F-O-S-Sn, expected SnS4(O10F3)2 to be SnS2(O3F)2" +mp-554294,Na7SnS3(O4F)3,-5.7954668342,-2.3042629901,0.0250420019,0.0250420019,GGA,P6_3mc,A3B7C12D3E_hP52_186_c_a2c_2cd_c_b:F-Na-O-S-Sn,52.0,"Invalid WP multiplicities - A3B7C12D3E_hP52_186_c_2a7c_11c9d_c_b:F-Na-O-S-Sn, expected Na23SnS3(O29F)3 to be Na7SnS3(O4F)3" +mp-766492,Sr2CrCO3F5,-7.1269284579,-3.2387483879,0.0,-0.0131066511,GGA+U,P2_1/c,ABC5D3E2_mP48_14_e_e_5e_3e_2e:C-Cr-F-O-Sr,48.0,"Invalid WP multiplicities - ABC5D3E2_mP48_14_e_e_17e_11e_5e:C-Cr-F-O-Sr, expected Sr5CrCO11F17 to be Sr2CrCO3F5" +mp-18859,Sr5Cr3O12F,-7.486115675,-2.787146476,0.0,-0.0397631778,GGA+U,P6_3/m,A3BC12D5_hP42_176_h_a_2hi_fh:Cr-F-O-Sr,42.0,"Invalid WP multiplicities - A3BC12D5_hP42_176_h_a_6h3i_fh:Cr-F-O-Sr, expected Sr5Cr3O36F to be Sr5Cr3O12F" +mp-1197942,Sr5Cr3O12F,-7.452072109,-2.75310291,0.034043566,-0.0057196119,GGA+U,P6_3/m,A3BC12D5_hP42_176_h_b_2hi_fh:Cr-F-O-Sr,42.0,A3BC12D5_hP42_176_h_b_2hi_fh:Cr-F-O-Sr +mp-560022,Ba9Nb2CN10O,-7.037403077,-1.1672427294,0.0,-0.0186211547,GGA,P-1,A9BC10D2E_aP46_2_9i_i_10i_2i_i:Ba-C-N-Nb-O,46.0,"Invalid WP multiplicities - A9BC10D2E_aP46_2_16i_i_16i_2i_i:Ba-C-N-Nb-O, expected Ba16Nb2CN16O to be Ba9Nb2CN10O" +mp-561031,Rb2MgP2WO10,-7.4806729568,-2.6798622974,0.0,-0.0212032931,GGA+U,Pbca,AB10C2D2E_oP128_61_c_10c_2c_2c_c:Mg-O-P-Rb-W,128.0,"Invalid WP multiplicities - AB10C2D2E_oP128_61_c_79c_7c_10c_c:Mg-O-P-Rb-W, expected Rb10MgP7WO79 to be Rb2MgP2WO10" +mp-1046038,Sr2YTlV2O7,-7.6635596438,-2.6633493142,0.2085949434,0.2085949434,GGA+U,Pmmm,A7B2CD2E_oP13_47_ajkl_i_g_l_b:O-Sr-Tl-V-Y,13.0,"Invalid WP multiplicities - A7B2CD2E_oP13_47_a2j2kl_i_g_l_b:O-Sr-Tl-V-Y, expected Sr2YTlV2O11 to be Sr2YTlV2O7" +mp-1202077,FeMo2H4NO8,-7.2290692317,-1.5014298427,0.0625851905,0.0625851905,GGA+U,Pnma,AB4C2DE8_oP64_62_c_2cd_2c_c_4c2d:Fe-H-Mo-N-O,64.0,AB4C2DE8_oP64_62_c_2cd_2c_c_4c2d:Fe-H-Mo-N-O +mp-24776,FeH18(NO6)3,-5.7540820131,-1.1643577232,0.009562862,0.009562862,GGA+U,P2_1/c,AB18C3D18_mP160_14_ad_18e_3e_18e:Fe-H-N-O,160.0,AB18C3D18_mP160_14_ad_18e_3e_18e:Fe-H-N-O +mp-1198118,FeH10N3O14,-6.005522215,-1.1247933438,0.0027843405,0.0027843405,GGA+U,P-1,AB10C3D14_aP56_2_i_10i_3i_14i:Fe-H-N-O,56.0,AB10C3D14_aP56_2_i_10i_3i_14i:Fe-H-N-O +mp-1199758,FeH8N3O13,-6.1061712277,-1.1090405241,0.0,-0.0044426013,GGA+U,P2_1/c,AB8C3D13_mP100_14_e_8e_3e_13e:Fe-H-N-O,100.0,AB8C3D13_mP100_14_e_8e_3e_13e:Fe-H-N-O +mp-778931,CrB3(HO3)3,-7.3070225053,-2.0326725479,0.0513927953,0.0513927953,GGA+U,Pbcn,A3BC3D9_oP128_60_3d_d_3d_9d:B-Cr-H-O,128.0,"Invalid WP multiplicities - A3BC3D9_oP128_60_9d_d_9d_33d:B-Cr-H-O, expected CrB9(H3O11)3 to be CrB3(HO3)3" +mp-778018,LiCrB3(HO3)3,-7.2286826834,-2.1522990254,0.0628331559,0.0628331559,GGA+U,Pbcn,A3BC3DE9_oP136_60_3d_d_3d_2c_9d:B-Cr-H-Li-O,136.0,"Invalid WP multiplicities - A3BC3DE9_oP136_60_9d_d_9d_6c_33d:B-Cr-H-Li-O, expected Li3CrB9(H3O11)3 to be LiCrB3(HO3)3" +mp-666728,Cr(B3H8)2,-3.8910075961,0.6312973959,0.8201706630000001,0.8201706630000001,GGA,P-1,A6BC16_aP23_2_3i_a_8i:B-Cr-H,23.0,"Invalid WP multiplicities - A6BC16_aP23_2_5i_a_15i:B-Cr-H, expected Cr(BH3)10 to be Cr(B3H8)2" +mp-567148,Cr(B3H8)2,-4.6608997778,-0.1385947859,0.0502784813,0.0502784813,GGA,P-1,A6BC16_aP23_2_3i_a_8i:B-Cr-H,23.0,"Invalid WP multiplicities - A6BC16_aP23_2_5i_a_15i:B-Cr-H, expected Cr(BH3)10 to be Cr(B3H8)2" +mp-764000,Li3CoOF3,-5.5356875519,-2.5961610508,0.0995515866,0.0995515866,GGA+U,C2,AB3C3D_mC32_5_c_3c_ab2c_c:Co-F-Li-O,16.0,"Invalid WP multiplicities - AB3C3D_mC32_12_i_6i_ad4i_i:Co-F-Li-O, expected Li5CoOF6 to be Li3CoOF3" +mp-752763,Li3CoOF3,-5.4989877181,-2.559461217,0.1362514203,0.1362514203,GGA+U,C2/m,AB3C3D_mC32_12_i_3i_ac2i_i:Co-F-Li-O,16.0,"Invalid WP multiplicities - AB3C3D_mC32_12_i_6i_ad4i_i:Co-F-Li-O, expected Li5CoOF6 to be Li3CoOF3" +mp-759806,Li3CoOF3,-5.5778908959,-2.6383643948,0.0573482425,0.0573482425,GGA+U,P4/mmm,AB3C3D_tP8_123_a_dg_bh_c:Co-F-Li-O,32.0,AB3C3D_tP8_123_a_dg_bh_c:Co-F-Li-O +mp-752861,Li5Co5O9F,-6.3118735665,-1.7359795326,0.1111731219,0.1111731219,GGA+U,P1,A5BC5D9_aP20_1_5a_a_5a_9a:Co-F-Li-O,20.0,A5BC5D9_aP20_1_5a_a_5a_9a:Co-F-Li-O +mp-1290583,LiCo5O7F,-6.7416641343,-1.4567490066,0.0877860093,0.0877860093,GGA+U,P1,A5BCD7_aP28_1_10a_2a_2a_14a:Co-F-Li-O,28.0,A5BCD7_aP28_1_10a_2a_2a_14a:Co-F-Li-O +mp-1291653,LiCo5O7F,-6.7778378421,-1.4929227144,0.0516123014,0.0516123014,GGA+U,Cm,A5BCD7_mC56_8_6a2b_2a_2a_6a4b:Co-F-Li-O,28.0,"Invalid WP multiplicities - A5BCD7_mC56_8_6a2b_2a_2a_6a8b:Co-F-Li-O, expected LiCo5O11F to be LiCo5O7F" +mp-1306750,LiCo5O7F,-6.7882998946,-1.5033847669,0.0411502489,0.0411502489,GGA+U,Cm,A5BCD7_mC56_8_6a2b_2a_2a_6a4b:Co-F-Li-O,28.0,"Invalid WP multiplicities - A5BCD7_mC56_8_6a4b_2a_2a_6a8b:Co-F-Li-O, expected LiCo7O11F to be LiCo5O7F" +mp-759572,LiCo5O7F,-6.7760698796,-1.4911547519,0.0533802639,0.0533802639,GGA+U,R3m,A5BCD7_hR42_160_2ab_a_a_a2b:Co-F-Li-O,28.0,"Invalid WP multiplicities - A5BCD7_hR42_160_3a2b_a_a_a2b:Co-F-Li-O, expected LiCo9O7F to be LiCo5O7F" +mp-1278660,Li4CoOF5,-5.3510464868,-2.6921289586,0.0785508605,0.0785508605,GGA+U,P-1,AB5C4D_aP44_2_bdi_10i_8i_2i:Co-F-Li-O,44.0,"Invalid WP multiplicities - AB5C4D_aP44_2_2ai_18i_14i_2i:Co-F-Li-O, expected Li7CoOF9 to be Li4CoOF5" +mp-1273164,Li4CoOF5,-5.3477520005,-2.6888344722,0.0818453468,0.0818453468,GGA+U,P2/m,AB5C4D_mP44_10_acn_dg4m5n_4m4n_bfm:Co-F-Li-O,44.0,"Invalid WP multiplicities - AB5C4D_mP44_10_ac2n_dg8m9n_8m8n_bfm:Co-F-Li-O, expected Li16Co3(OF9)2 to be Li4CoOF5" +mp-754887,Li4CoOF5,-5.3700901173,-2.7111725891000003,0.05950723,0.05950723,GGA+U,C2/m,AB5C4D_mC22_12_b_c2i_2i_a:Co-F-Li-O,22.0,AB5C4D_mC22_12_b_c2i_2i_a:Co-F-Li-O +mp-1235140,LiCo6(OF5)2,-5.9313611332,-2.0594139366,0.1845502884,0.1845502884,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O +mp-1235351,LiCo6(OF5)2,-5.8720655021,-2.0001183056,0.2438459195,0.2438459195,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O +mp-1235954,LiCo6(OF5)2,-5.9301551174,-2.0582079208,0.1857563042,0.1857563042,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O +mp-1236161,LiCo6(OF5)2,-5.7304579074,-1.8585107108,0.3854535142,0.3854535142,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O +mp-1236283,LiCo6(OF5)2,-5.8035300289,-1.9315828324,0.3123813926,0.3123813926,GGA+U,P1,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O,19.0,A6B10CD2_aP19_1_6a_10a_a_2a:Co-F-Li-O +mp-1235110,LiCo6(OF5)2,-5.9548203963,-2.0828731998,0.1610910253,0.1610910253,GGA+U,P-1,A6B10CD2_aP19_2_be2i_5i_c_i:Co-F-Li-O,19.0,"Invalid WP multiplicities - A6B10CD2_aP19_2_be2i_9i_c_i:Co-F-Li-O, expected LiCo6(OF9)2 to be LiCo6(OF5)2" +mp-1236009,LiCo6(OF5)2,-5.6353775532,-1.7634303566,0.4805338684,0.4805338684,GGA+U,Cm,A6B10CD2_mC38_8_6a_4a3b_a_2a:Co-F-Li-O,19.0,"Invalid WP multiplicities - A6B10CD2_mC38_8_6a_4a6b_a_2a:Co-F-Li-O, expected LiCo6(OF8)2 to be LiCo6(OF5)2" +mp-780689,Li3Co8(OF3)4,-6.0289647848,-2.1283050287,0.1101825894,0.1101825894,GGA+U,Cm,A8B12C3D4_mC54_8_2a3b_4a4b_3a_4a:Co-F-Li-O,27.0,"Invalid WP multiplicities - A8B12C3D4_mC54_8_2a4b_4a6b_3a_4a:Co-F-Li-O, expected Li3Co10(OF4)4 to be Li3Co8(OF3)4" +mp-849507,LiCoOF2,-5.7031068855,-2.1457294239,0.1506326605,0.1506326605,GGA+U,P-1,AB2CD_aP20_2_2i_4i_2i_2i:Co-F-Li-O,20.0,"Invalid WP multiplicities - AB2CD_aP20_2_2i_7i_2i_3i:Co-F-Li-O, expected Li2Co2O3F7 to be LiCoOF2" +mp-780318,LiCoOF2,-5.696113561,-2.1387360994,0.157625985,0.157625985,GGA+U,Pc,AB2CD_mP40_7_4a_8a_4a_4a:Co-F-Li-O,40.0,"Invalid WP multiplicities - AB2CD_mP40_7_6a_14a_6a_7a:Co-F-Li-O, expected Li6Co6(OF2)7 to be LiCoOF2" +mp-850916,LiCoOF2,-5.736720669,-2.1793432074,0.117018877,0.117018877,GGA+U,Cc,AB2CD_mC20_9_a_2a_a_a:Co-F-Li-O,10.0,"Invalid WP multiplicities - AB2CD_mC20_9_a_3a_a_a:Co-F-Li-O, expected LiCoOF3 to be LiCoOF2" +mp-754372,LiCoOF2,-5.735254911,-2.1778774494,0.118484635,0.118484635,GGA+U,C2/c,AB2CD_mC40_15_f_2f_2e_f:Co-F-Li-O,20.0,"Invalid WP multiplicities - AB2CD_mC40_15_f_3f_4e_f:Co-F-Li-O, expected Li2CoOF3 to be LiCoOF2" +mp-760048,Li2CoOF2,-5.7796676917,-2.4970326626,0.0419359879,0.0419359879,GGA+U,P4/nmm,AB2C2D_tP12_129_c_2c_2c_c:Co-F-Li-O,24.0,AB2C2D_tP12_129_c_2c_2c_c:Co-F-Li-O +mp-754953,LiCo3(OF3)2,-5.7378903742,-2.0215464176,0.1110879443,0.1110879443,GGA+U,P-1,A3B6CD2_aP24_2_3i_6i_i_2i:Co-F-Li-O,24.0,"Invalid WP multiplicities - A3B6CD2_aP24_2_5i_11i_i_3i:Co-F-Li-O, expected LiCo5O3F11 to be LiCo3(OF3)2" +mp-1639002,LiCo3(OF3)2,-5.8156916567,-2.0993477001,0.0332866618,0.0332866618,GGA+U,P2_1,A3B6CD2_mP24_4_3a_6a_a_2a:Co-F-Li-O,24.0,"Invalid WP multiplicities - A3B6CD2_aP24_2_bd2i_9i_ch_3i:Co-F-Li-O, expected LiCo3(OF3)3 to be LiCo3(OF3)2" +mp-1643372,LiCo3(OF3)2,-5.8021305654,-2.0857866088,0.046847753,0.046847753,GGA+U,Pc,A3B6CD2_mP24_7_3a_6a_a_2a:Co-F-Li-O,24.0,"Invalid WP multiplicities - A3B6CD2_mP24_7_6a_12a_a_4a:Co-F-Li-O, expected LiCo6(OF3)4 to be LiCo3(OF3)2" +mp-850982,LiCo3(OF3)2,-5.8261174033,-2.1097734467,0.0228609151,0.0228609151,GGA+U,P2_1/c,A3B6CD2_mP24_14_ae_3e_d_e:Co-F-Li-O,24.0,"Invalid WP multiplicities - A3B6CD2_aP24_2_bd2i_9i_ch_3i:Co-F-Li-O, expected LiCo3(OF3)3 to be LiCo3(OF3)2" +mp-850355,Li4Co(OF)2,-5.4614581556,-2.2991976423,0.0905885902,0.0905885902,GGA+U,C2/m,AB2C4D2_mC18_12_a_i_2i_i:Co-F-Li-O,36.0,AB2C4D2_mC18_12_a_i_2i_i:Co-F-Li-O +mp-760241,LiCoOF,-6.0223615675,-2.0535094824,0.1719711944,0.1719711944,GGA+U,P4/nmm,ABCD_tP16_129_2c_2c_2c_2c:Co-F-Li-O,16.0,ABCD_tP16_129_3c_3c_3c_3c:Co-F-Li-O +mp-755532,Li4Co4(OF3)3,-5.694059138,-2.2884421636,0.1031689075,0.1031689075,GGA+U,P1,A4B9C4D3_aP20_1_4a_9a_4a_3a:Co-F-Li-O,20.0,A4B9C4D3_aP20_1_4a_9a_4a_3a:Co-F-Li-O +mp-759351,Li4Co3OF8,-5.6282852506,-2.5533374192,0.0721245942,0.0721245942,GGA+U,Cm,A3B8C4D_mC32_8_3a_8a_4a_a:Co-F-Li-O,16.0,A3B8C4D_mC32_8_3a_8a_4a_a:Co-F-Li-O +mp-849667,Li4Co5O9F,-6.3347884689,-1.6185275316,0.1559088017,0.1559088017,GGA+U,P1,A5BC4D9_aP19_1_5a_a_4a_9a:Co-F-Li-O,19.0,A5BC4D9_aP19_1_5a_a_4a_9a:Co-F-Li-O +mp-755408,Li4Co5O9F,-6.4294571874,-1.71319625,0.0612400833,0.0612400833,GGA+U,Cm,A5BC4D9_mC38_8_5a_a_4a_9a:Co-F-Li-O,19.0,A5BC4D9_mC38_8_5a_a_4a_9a:Co-F-Li-O +mp-780860,Li2Co2OF6,-5.3849515441,-2.2531293769,0.1808324697,0.1808324697,GGA+U,P1,A2B6C2D_aP22_1_4a_12a_4a_2a:Co-F-Li-O,22.0,A2B6C2D_aP22_1_4a_12a_4a_2a:Co-F-Li-O +mp-756031,Li2Co2OF6,-5.3880753014,-2.2562531341,0.1777087124,0.1777087124,GGA+U,P-1,A2B6C2D_aP22_2_2i_6i_2i_i:Co-F-Li-O,22.0,"Invalid WP multiplicities - A2B6C2D_aP22_2_3i_11i_3i_i:Co-F-Li-O, expected Li3Co3OF11 to be Li2Co2OF6" +mp-760264,Li3CoO2F,-5.58986719,-2.0698753636,0.098151336,0.098151336,GGA+U,P-1,ABC3D2_aP14_2_i_i_3i_2i:Co-F-Li-O,14.0,ABC3D2_aP14_2_i_i_3i_2i:Co-F-Li-O +mp-760920,Li3CoO2F,-5.6274151932,-2.1074233668,0.0606033328,0.0606033328,GGA+U,Pnnm,ABC3D2_oP28_58_g_g_3g_2g:Co-F-Li-O,28.0,ABC3D2_oP28_58_g_g_3g_2g:Co-F-Li-O +mp-1318077,Li2CoOF3,-5.5443458468,-2.4575902551,0.0872239761,0.0872239761,GGA+U,P1,AB3C2D_aP14_1_2a_6a_4a_2a:Co-F-Li-O,28.0,"Invalid WP multiplicities - AB3C2D_aP14_1_4a_6a_4a_2a:Co-F-Li-O, expected Li2Co2OF3 to be Li2CoOF3" +mp-850284,Li2CoOF3,-5.511854055,-2.4250984633,0.1197157679,0.1197157679,GGA+U,C2,AB3C2D_mC28_5_ab_3c_2c_c:Co-F-Li-O,14.0,"Invalid WP multiplicities - AB3C2D_mC28_5_ab_5c_4c_c:Co-F-Li-O, expected Li4CoOF5 to be Li2CoOF3" +mp-755022,Li2CoOF3,-5.5547882107,-2.468032619,0.0767816121,0.0767816121,GGA+U,Cc,AB3C2D_mC28_9_a_3a_2a_a:Co-F-Li-O,14.0,AB3C2D_mC28_9_a_3a_2a_a:Co-F-Li-O +mp-754749,Li2CoOF3,-5.5859942771,-2.4992386854,0.0455755457,0.0455755457,GGA+U,C2/m,AB3C2D_mC28_12_e_ij_aci_i:Co-F-Li-O,28.0,AB3C2D_mC28_12_e_ij_adi_i:Co-F-Li-O +mp-754564,Li2CoOF3,-5.5825439011,-2.4957883093,0.0490259218,0.0490259218,GGA+U,P4_1,AB3C2D_tP28_76_a_3a_2a_a:Co-F-Li-O,28.0,AB3C2D_tP28_76_a_3a_2a_a:Co-F-Li-O +mp-761081,Li6Co11(OF12)2,-5.7864849579,-2.4047662233,0.0748968194,0.0748968194,GGA+U,P1,A11B24C6D2_aP43_1_11a_24a_6a_2a:Co-F-Li-O,43.0,A11B24C6D2_aP43_1_11a_24a_6a_2a:Co-F-Li-O +mp-760970,Li3Co5OF11,-5.792621044,-2.4305552976,0.0587099494,0.0587099494,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-800299,Li3Co5OF11,-4.6152655645,-1.2531998181,1.2360654289,1.2360654289,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-807935,Li3Co5OF11,-4.5210660565000005,-1.1590003101,1.3302649369,1.3302649369,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-754832,Li3Co5OF11,-5.7970172255,-2.4349514791,0.0543137679,0.0543137679,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-1345007,Li3Co5OF11,-5.2953951705,-1.9333294241,0.5559358229,0.5559358229,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-1346423,Li3Co5OF11,-5.2827702525,-1.9207045061,0.5685607409,0.5685607409,GGA+U,P1,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O,20.0,A5B11C3D_aP20_1_5a_11a_3a_a:Co-F-Li-O +mp-760350,LiCo5O3F5,-6.3449679029,-1.9272555591,0.0835867016,0.0835867016,GGA+U,Cm,A5B5CD3_mC28_8_3ab_a2b_a_3a:Co-F-Li-O,14.0,"Invalid WP multiplicities - A5B5CD3_mC28_8_3a2b_a3b_a_3a:Co-F-Li-O, expected LiCo7O3F7 to be LiCo5O3F5" +mp-759770,Li7Co(OF)3,-5.2703345386,-2.3385287601,0.096909043,0.096909043,GGA+U,P1,AB3C7D3_aP14_1_a_3a_7a_3a:Co-F-Li-O,28.0,AB3C7D3_aP14_1_a_3a_7a_3a:Co-F-Li-O +mp-760036,Li5CoO3F,-5.34562565,-2.005177927,0.1380571582,0.1380571582,GGA+U,C2/m,ABC5D3_mC40_12_i_g_i2j_hj:Co-F-Li-O,20.0,"Invalid WP multiplicities - ABC5D3_mC40_12_i_g_i2j_2h3j:Co-F-Li-O, expected Li5CoO8F to be Li5CoO3F" +mp-754771,Li3Co2OF5,-5.6049752986,-2.4733855042,0.1284874102,0.1284874102,GGA+U,C2,A2B5C3D_mC44_5_abc_5c_ab2c_c:Co-F-Li-O,22.0,"Invalid WP multiplicities - A2B5C3D_mC44_5_abc_10c_ab3c_c:Co-F-Li-O, expected Li4Co2OF10 to be Li3Co2OF5" +mp-849429,Li3Co2OF5,-5.6337418473,-2.5021520528,0.0997208616,0.0997208616,GGA+U,F222,A2B5C3D_oF88_22_ace_f2k_bdej_i:Co-F-Li-O,22.0,"Invalid WP multiplicities - A2B5C3D_oF88_22_ace_2f8k_bd2ej_i:Co-F-Li-O, expected Li4Co2OF18 to be Li3Co2OF5" +mp-780622,Li2Co4O7F,-6.4887828279,-1.5752530522,0.0755592674,0.0755592674,GGA+U,Cm,A4BC2D7_mC28_8_2ab_a_2a_3a2b:Co-F-Li-O,14.0,"Invalid WP multiplicities - A4BC2D7_mC28_8_2ab_a_2a_3a3b:Co-F-Li-O, expected Li2Co4O9F to be Li2Co4O7F" +mp-861786,Li7Co(O2F)2,-4.1854181629,-1.0368116885,1.2522021014,1.2522021014,GGA+U,P1,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O,28.0,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O +mp-849470,Li7Co(O2F)2,-5.3482993282,-2.1996928538,0.0893209361,0.0893209361,GGA+U,P1,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O,28.0,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O +mp-1370991,Li7Co(O2F)2,-4.8720444768,-1.7234380024,0.5655757875,0.5655757875,GGA+U,P1,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O,28.0,AB2C7D4_aP28_1_2a_4a_14a_8a:Co-F-Li-O +mp-759438,Li6CoOF6,-5.3664417589,-2.8680547938,0.0291858266,0.0291858266,GGA+U,I4/mmm,AB6C6D_tI28_139_a_3e_3e_b:Co-F-Li-O,28.0,AB6C6D_tI28_139_a_3e_3e_b:Co-F-Li-O +mp-761039,Li3Co13O5F19,-6.0944887128,-2.1148276159,0.0922984547,0.0922984547,GGA+U,P1,A13B19C3D5_aP40_1_13a_19a_3a_5a:Co-F-Li-O,40.0,A13B19C3D5_aP40_1_13a_19a_3a_5a:Co-F-Li-O +mp-760300,Li3Co2O2F3,-5.804894699,-2.2477728475,0.1658006135,0.1658006135,GGA+U,I4/mmm,A2B3C3D2_tI20_139_e_ae_be_e:Co-F-Li-O,10.0,A2B3C3D2_tI20_139_e_ae_be_e:Co-F-Li-O +mp-759827,Li8Co(O2F)2,-5.2510080912,-2.1850471906,0.082979743,0.082979743,GGA+U,P-1,AB2C8D4_aP15_2_a_i_4i_2i:Co-F-Li-O,60.0,AB2C8D4_aP15_2_a_i_4i_2i:Co-F-Li-O +mp-761056,Li8Co(O2F)2,-5.2108049537,-2.1448440531,0.1231828805,0.1231828805,GGA+U,P-1,AB2C8D4_aP30_2_be_2i_8i_4i:Co-F-Li-O,30.0,"Invalid WP multiplicities - AB2C8D4_aP30_2_be_3i_15i_7i:Co-F-Li-O, expected Li15CoO7F3 to be Li8Co(O2F)2" +mp-760331,Li8Co(O2F)2,-5.244955841,-2.1789949404,0.0890319932,0.0890319932,GGA+U,Cmc2_1,AB2C8D4_oC60_36_a_b_2a3b_2ab:Co-F-Li-O,30.0,"Invalid WP multiplicities - AB2C8D4_oC60_36_a_b_3a8b_2a2b:Co-F-Li-O, expected Li19Co(O3F)2 to be Li8Co(O2F)2" +mp-752818,Li4Co7O3F13,-5.88900339,-2.2933289921,0.0844866144,0.0844866144,GGA+U,P1,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O,27.0,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O +mp-799384,Li4Co7O3F13,-3.6777634244,-0.0820890266,2.2957265799,2.2957265799,GGA+U,P1,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O,27.0,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O +mp-1369771,Li4Co7O3F13,-5.2063954996,-1.6107211017,0.7670945047000001,0.7670945047000001,GGA+U,P1,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O,27.0,A7B13C4D3_aP27_1_7a_13a_4a_3a:Co-F-Li-O +mp-1177057,Li6Co6O5F11,-5.8175001993,-2.2509589075,0.1191772296,0.1191772296,GGA+U,P1,A6B11C6D5_aP28_1_6a_11a_6a_5a:Co-F-Li-O,28.0,A6B11C6D5_aP28_1_6a_11a_6a_5a:Co-F-Li-O +mp-1342342,Li6Co6O5F11,-5.2686749621,-1.7021336704,0.6680024668,0.6680024668,GGA+U,P1,A6B11C6D5_aP28_1_6a_11a_6a_5a:Co-F-Li-O,28.0,A6B11C6D5_aP28_1_6a_11a_6a_5a:Co-F-Li-O +mp-850986,Li6Co6O5F11,-5.8276846607,-2.261143369,0.1089927682,0.1089927682,GGA+U,Cm,A6B11C6D5_mC56_8_2a2b_5a3b_6a_3ab:Co-F-Li-O,28.0,"Invalid WP multiplicities - A6B11C6D5_mC56_8_2a3b_5a3b_6a_3ab:Co-F-Li-O, expected Li6Co8O5F11 to be Li6Co6O5F11" +mp-849366,LiCo3OF5,-5.9844165585,-2.2106205785,0.0905518843,0.0905518843,GGA+U,P1,A3B5CD_aP20_1_6a_10a_2a_2a:Co-F-Li-O,20.0,A3B5CD_aP20_1_6a_10a_2a_2a:Co-F-Li-O +mp-851033,LiCo3OF5,-5.9881974503,-2.2144014702,0.0867709925,0.0867709925,GGA+U,P1,A3B5CD_aP40_1_12a_20a_4a_4a:Co-F-Li-O,40.0,A3B5CD_aP40_1_12a_20a_4a_4a:Co-F-Li-O +mp-760399,LiCo3OF5,-5.992021553,-2.218225573,0.0829468898,0.0829468898,GGA+U,P1,A3B5CD_aP10_1_3a_5a_a_a:Co-F-Li-O,10.0,A3B5CD_aP10_1_3a_5a_a_a:Co-F-Li-O +mp-1387325,LiCo3OF5,-3.96528135,-0.19148537,2.1096870928,2.1096870928,GGA+U,P1,A3B5CD_aP10_1_3a_5a_a_a:Co-F-Li-O,10.0,A3B5CD_aP10_1_3a_5a_a_a:Co-F-Li-O +mp-850211,Li8CoO5F,-5.333148583,-2.0648403662,0.0618509603,0.0618509603,GGA+U,P1,ABC8D5_aP15_1_a_a_8a_5a:Co-F-Li-O,60.0,ABC8D5_aP15_1_a_a_8a_5a:Co-F-Li-O +mp-1176847,Li8CoO5F,-5.36553384,-2.0972256232,0.0294657033,0.0294657033,GGA+U,P1,ABC8D5_aP30_1_2a_2a_16a_10a:Co-F-Li-O,30.0,"Invalid WP multiplicities - ABC8D5_hP30_173_a_b_4b9c_a2b3c:Co-F-Li-O, expected Li31CoO12F to be Li8CoO5F" +mp-1316403,Li8CoO5F,-5.3234844477,-2.0551762309,0.0715150957,0.0715150957,GGA+U,P1,ABC8D5_aP30_1_2a_2a_16a_10a:Co-F-Li-O,30.0,ABC8D5_aP30_1_2a_2a_16a_10a:Co-F-Li-O +mp-1305683,Li8CoO5F,-5.3271896422000005,-2.0588814254,0.0678099012,0.0678099012,GGA+U,P1,ABC8D5_aP60_1_4a_4a_32a_20a:Co-F-Li-O,60.0,ABC8D5_aP60_1_4a_4a_32a_20a:Co-F-Li-O +mp-1305320,Li8CoO5F,-5.3043873833,-2.0360791665,0.09061216,0.09061216,GGA+U,P1,ABC8D5_aP30_1_2a_2a_16a_10a:Co-F-Li-O,30.0,ABC8D5_aP30_1_2a_2a_16a_10a:Co-F-Li-O +mp-780787,Li8CoO5F,-5.363857871,-2.0955496542,0.0311416723,0.0311416723,GGA+U,P2_1,ABC8D5_mP30_4_a_a_8a_5a:Co-F-Li-O,30.0,"Invalid WP multiplicities - ABC8D5_hP30_173_a_b_4b9c_a2b3c:Co-F-Li-O, expected Li31CoO12F to be Li8CoO5F" +mp-756975,LiCo2OF5,-5.5544366311,-2.151143075,0.1201559379,0.1201559379,GGA+U,P1,A2B5CD_aP27_1_6a_15a_3a_3a:Co-F-Li-O,27.0,A2B5CD_aP27_1_6a_15a_3a_3a:Co-F-Li-O +mp-780789,LiCo2OF5,-5.56682755,-2.1635339938,0.107765019,0.107765019,GGA+U,Pc,A2B5CD_mP36_7_4a_10a_2a_2a:Co-F-Li-O,36.0,"Invalid WP multiplicities - A2B5CD_mP36_7_8a_18a_4a_3a:Co-F-Li-O, expected Li4Co8(OF6)3 to be LiCo2OF5" +mp-780316,LiCo2OF5,-5.5810732742,-2.177779718,0.0935192949,0.0935192949,GGA+U,Cc,A2B5CD_mC72_9_4a_10a_2a_2a:Co-F-Li-O,36.0,"Invalid WP multiplicities - A2B5CD_mC72_9_5a_20a_2a_2a:Co-F-Li-O, expected Li2Co5(OF10)2 to be LiCo2OF5" +mp-755735,Li2Co4O3F8,-5.7224229818,-2.0528338766,0.1279556977,0.1279556977,GGA+U,P-1,A4B8C2D3_aP17_2_2i_4i_i_ai:Co-F-Li-O,17.0,"Invalid WP multiplicities - A4B8C2D3_aP17_2_3i_7i_i_ai:Co-F-Li-O, expected Li2Co6O3F14 to be Li2Co4O3F8" +mp-807769,Li2Co4O3F8,-5.1716430341,-1.502053929,0.6787356454,0.6787356454,GGA+U,P-1,A4B8C2D3_aP17_2_2i_4i_i_ai:Co-F-Li-O,17.0,"Invalid WP multiplicities - A4B8C2D3_aP17_2_3i_7i_i_ai:Co-F-Li-O, expected Li2Co6O3F14 to be Li2Co4O3F8" +mp-754688,Li4Co3OF11,-5.3701795142,-2.4789372929,0.0630243003,0.0630243003,GGA+U,P1,A3B11C4D_aP19_1_3a_11a_4a_a:Co-F-Li-O,19.0,A3B11C4D_aP19_1_3a_11a_4a_a:Co-F-Li-O +mp-780191,Li4Co3OF11,-5.3516920226,-2.4604498013,0.0815117919,0.0815117919,GGA+U,P1,A3B11C4D_aP19_1_3a_11a_4a_a:Co-F-Li-O,19.0,A3B11C4D_aP19_1_3a_11a_4a_a:Co-F-Li-O +mp-755433,LiCo2O2F3,-5.8833334256,-1.9141618279,0.1648046281,0.1648046281,GGA+U,Cmcm,A2B3CD2_oC32_63_f_cf_c_f:Co-F-Li-O,16.0,"Invalid WP multiplicities - A2B3CD2_oC32_63_f_c2f_c_f:Co-F-Li-O, expected LiCo2O2F5 to be LiCo2O2F3" +mp-759978,LiCo7O7F,-6.9717818294,-1.4589413683,0.0611913677,0.0611913677,GGA+U,P3m1,A7BCD7_hP16_156_3a4b_b_a_4a3b:Co-F-Li-O,16.0,A7BCD7_hP16_156_3a4b_b_a_4a3b:Co-F-Li-O +mp-765768,LiCo2OF3,-6.00598925,-2.1764629542,0.1030832839,0.1030832839,GGA+U,P1,A2B3CD_aP28_1_8a_12a_4a_4a:Co-F-Li-O,28.0,A2B3CD_aP28_1_8a_12a_4a_4a:Co-F-Li-O +mp-780720,LiCo2OF3,-6.01345695,-2.1839306542,0.0956155839,0.0956155839,GGA+U,P2,A2B3CD_mP28_3_ac3e_6e_bde_2e:Co-F-Li-O,28.0,A2B3CD_mP28_3_ad3e_6e_bce_2e:Co-F-Li-O +mp-850824,LiCo2OF3,-6.0359043336,-2.2063780378,0.0731682004,0.0731682004,GGA+U,Pm,A2B3CD_mP28_6_2a4bc_3a3b3c_2ac_abc:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B3CD_mP28_6_2a4bc_3a3b4c_2ac_abc:Co-F-Li-O, expected Li2Co4O2F7 to be LiCo2OF3" +mp-761105,LiCo2OF3,-6.0362778436,-2.2067515478,0.0727946904,0.0727946904,GGA+U,C2/m,A2B3CD_mC28_12_ei_ij_ac_i:Co-F-Li-O,14.0,"Invalid WP multiplicities - A2B3CD_mC28_12_2e2i_ij_ac_i:Co-F-Li-O, expected LiCo4OF3 to be LiCo2OF3" +mp-759688,LiCo2OF3,-6.0447039657,-2.2151776699,0.0643685682,0.0643685682,GGA+U,Imm2,A2B3CD_oI56_44_abce_abc2e_2c_abc:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B3CD_oI56_44_ab2c2e_ab2c7e_2c_abc:Co-F-Li-O, expected Li2Co7O2F17 to be LiCo2OF3" +mp-780767,LiCo2OF3,-6.0262904661,-2.1967641703,0.0827820679,0.0827820679,GGA+U,Pnma,A2B3CD_oP28_62_ac_cd_c_c:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B3CD_oP28_62_2a2c_2c2d_c_c:Co-F-Li-O, expected LiCo4OF6 to be LiCo2OF3" +mp-765692,LiCo2OF3,-6.0260999346,-2.1965736389,0.0829725993,0.0829725993,GGA+U,Pnma,A2B3CD_oP28_62_ac_cd_c_c:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B3CD_oP28_62_2a2c_3c2d_c_c:Co-F-Li-O, expected LiCo4OF7 to be LiCo2OF3" +mp-761004,LiCo2OF3,-6.0211276046,-2.1916013089,0.0879449293,0.0879449293,GGA+U,P4_3,A2B3CD_tP28_78_2a_3a_a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B3CD_tP28_78_4a_8a_a_a:Co-F-Li-O, expected LiCo4OF8 to be LiCo2OF3" +mp-765718,LiCo2OF3,-6.0497646086,-2.2202383128,0.0593079254,0.0593079254,GGA+U,R3m,A2B3CD_hR42_160_ab_2b_2a_2a:Co-F-Li-O,14.0,"Invalid WP multiplicities - A2B3CD_hR42_160_a2b_2b_2a_2a:Co-F-Li-O, expected Li2Co7(OF3)2 to be LiCo2OF3" +mp-764154,LiCo2OF3,-6.0256239829,-2.1960976871,0.0834485511,0.0834485511,GGA+U,P-3m1,A2B3CD_hP14_164_af_i_d_d:Co-F-Li-O,14.0,A2B3CD_hP14_164_af_i_d_d:Co-F-Li-O +mp-760366,LiCo2OF3,-5.9612888121,-2.1317625164,0.1477837218,0.1477837218,GGA+U,R-3m,A2B3CD_hR42_166_ad_h_c_c:Co-F-Li-O,14.0,"Invalid WP multiplicities - A2B3CD_hR42_166_a2d_h_c_c:Co-F-Li-O, expected Li2Co7(OF3)2 to be LiCo2OF3" +mp-850204,Li5Co2O2F5,-5.62580712,-2.5392341069,0.0893025361,0.0893025361,GGA+U,I4/mmm,A2B5C5D2_tI28_139_e_a2e_b2e_e:Co-F-Li-O,14.0,"Invalid WP multiplicities - A2B5C5D2_tI28_139_e_a3e_b3e_e:Co-F-Li-O, expected Li7Co2O2F7 to be Li5Co2O2F5" +mp-765549,Li7CoOF7,-5.2908048269,-2.8659411178000003,0.0648874998,0.0648874998,GGA+U,Pmm2,AB7C7D_oP16_25_a_b2d2e_a2c2f_b:Co-F-Li-O,64.0,AB7C7D_oP16_25_a_b2d2e_a2c2f_b:Co-F-Li-O +mp-765689,Li4Co3(OF3)2,-5.773675343,-2.4188156044,0.0826860467,0.0826860467,GGA+U,P-1,A3B6C4D2_aP15_2_ai_3i_2i_i:Co-F-Li-O,30.0,"Invalid WP multiplicities - A3B6C4D2_aP15_2_2a2i_3i_2i_i:Co-F-Li-O, expected Li2Co3OF3 to be Li4Co3(OF3)2" +mp-754571,Li4Co7(OF7)2,-5.8516509267,-2.3683917045,0.0665019476,0.0665019476,GGA+U,P1,A7B14C4D2_aP27_1_7a_14a_4a_2a:Co-F-Li-O,27.0,A7B14C4D2_aP27_1_7a_14a_4a_2a:Co-F-Li-O +mp-752487,Li4Co7(OF7)2,-5.852492877,-2.3692336548,0.0656599972,0.0656599972,GGA+U,P-1,A7B14C4D2_aP27_2_abdegi_7i_2i_i:Co-F-Li-O,27.0,"Invalid WP multiplicities - A7B14C4D2_aP27_2_abdeg2i_13i_4i_i:Co-F-Li-O, expected Li8Co9(OF13)2 to be Li4Co7(OF7)2" +mp-801543,Li4Co7(OF7)2,-3.7737270504,-0.2904678282,2.1444258239,2.1444258239,GGA+U,P-1,A7B14C4D2_aP27_2_abdegi_7i_2i_i:Co-F-Li-O,27.0,"Invalid WP multiplicities - A7B14C4D2_aP27_2_abdeg2i_13i_4i_i:Co-F-Li-O, expected Li8Co9(OF13)2 to be Li4Co7(OF7)2" +mp-752803,Li4Co7(OF7)2,-5.8572425341,-2.3739833119,0.0609103402,0.0609103402,GGA+U,P-1,A7B14C4D2_aP27_2_acf2i_7i_2i_i:Co-F-Li-O,27.0,"Invalid WP multiplicities - A7B14C4D2_aP27_2_acf4i_13i_3i_i:Co-F-Li-O, expected Li6Co11(OF13)2 to be Li4Co7(OF7)2" +mp-1348408,Li4Co7(OF7)2,-5.1499321919,-1.6666729697,0.7682206824000001,0.7682206824000001,GGA+U,P-1,A7B14C4D2_aP27_2_abdegi_7i_2i_i:Co-F-Li-O,27.0,"Invalid WP multiplicities - A7B14C4D2_aP27_2_abdeg2i_13i_4i_i:Co-F-Li-O, expected Li8Co9(OF13)2 to be Li4Co7(OF7)2" +mp-760940,Li3Co4O4F3,-6.2240490979,-1.9611039888,0.1300246993,0.1300246993,GGA+U,I4/mmm,A4B3C3D4_tI28_139_2e_ae_be_2e:Co-F-Li-O,14.0,"Invalid WP multiplicities - A4B3C3D4_tI28_139_3e_ae_be_3e:Co-F-Li-O, expected LiCo2O2F to be Li3Co4O4F3" +mp-761080,Li2Co3OF6,-5.7981779844,-2.3349811815,0.1103199704,0.1103199704,GGA+U,P1,A3B6C2D_aP48_1_12a_24a_8a_4a:Co-F-Li-O,48.0,A3B6C2D_aP48_1_12a_24a_8a_4a:Co-F-Li-O +mp-780117,Li4CoO3F,-5.5637149333,-2.064208893,0.10559531,0.10559531,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O +mp-807569,Li4CoO3F,-2.2959804767,1.2035255637,3.3733297667,3.3733297667,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O +mp-755064,Li4CoO3F,-5.5962887356,-2.0967826952,0.0730215078,0.0730215078,GGA+U,Cmc2_1,ABC4D3_oC36_36_a_a_2b_ab:Co-F-Li-O,36.0,ABC4D3_oC36_36_a_a_2b_ab:Co-F-Li-O +mp-1406703,Li4CoO3F,-4.3917512361,-0.8922451958000001,1.2775590072,1.2775590072,GGA+U,P1,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O,18.0,ABC4D3_aP18_1_2a_2a_8a_6a:Co-F-Li-O +mp-754312,Li3Co(OF)2,-5.6475871669,-2.3286594478,0.1305981756,0.1305981756,GGA+U,P2/c,AB2C3D2_mP16_13_e_g_e2f_g:Co-F-Li-O,16.0,"Invalid WP multiplicities - AB2C3D2_mP16_13_e_g_2e4f_g:Co-F-Li-O, expected Li6Co(OF)2 to be Li3Co(OF)2" +mp-801614,Li3Co3OF7,-4.058185825,-0.8168455772000001,1.7314046384,1.7314046384,GGA+U,P1,A3B7C3D_aP28_1_6a_14a_6a_2a:Co-F-Li-O,28.0,A3B7C3D_aP28_1_6a_14a_6a_2a:Co-F-Li-O +mp-761096,Li3Co3OF7,-5.7496595996,-2.5083193519,0.0399308637,0.0399308637,GGA+U,Cm,A3B7C3D_mC28_8_ab_3a2b_3a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A3B7C3D_mC28_8_2a2b_3a2b_3a_a:Co-F-Li-O, expected Li3Co6OF7 to be Li3Co3OF7" +mp-765761,Li3Co3OF7,-5.7479068925,-2.5065666447,0.0416835709,0.0416835709,GGA+U,Cc,A3B7C3D_mC56_9_3a_7a_3a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A3B7C3D_mC56_9_6a_12a_4a_a:Co-F-Li-O, expected Li4Co6OF12 to be Li3Co3OF7" +mp-758755,Li3Co3OF7,-5.7471422061,-2.5058019583,0.0424482573,0.0424482573,GGA+U,R3m,A3B7C3D_hR42_160_b_a2b_3a_a:Co-F-Li-O,28.0,A3B7C3D_hR42_160_b_a2b_3a_a:Co-F-Li-O +mp-1299574,Li4Co2OF7,-5.5148472643,-2.6448923685,0.0359918436,0.0359918436,GGA+U,P1,A2B7C4D_aP14_1_2a_7a_4a_a:Co-F-Li-O,14.0,A2B7C4D_aP14_1_2a_7a_4a_a:Co-F-Li-O +mp-1311449,Li4Co2OF7,-5.5154392196,-2.6454843239,0.0353998882,0.0353998882,GGA+U,Pc,A2B7C4D_mP28_7_2a_7a_4a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B7C4D_mP28_7_2a_9a_4a_a:Co-F-Li-O, expected Li4Co2OF9 to be Li4Co2OF7" +mp-850198,Li4Co2OF7,-5.50564953,-2.6356946343,0.0451895779,0.0451895779,GGA+U,Cm,A2B7C4D_mC28_8_b_3a2b_4a_a:Co-F-Li-O,28.0,A2B7C4D_mC28_8_b_3a2b_4a_a:Co-F-Li-O +mp-1308000,Li4Co2OF7,-5.5152767464,-2.6453218507000003,0.0355623614,0.0355623614,GGA+U,Cc,A2B7C4D_mC56_9_2a_7a_4a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B7C4D_mC56_9_2a_9a_4a_a:Co-F-Li-O, expected Li4Co2OF9 to be Li4Co2OF7" +mp-1311086,Li4Co2OF7,-5.5152822825,-2.6453273868,0.0355568254,0.0355568254,GGA+U,Cc,A2B7C4D_mC56_9_2a_7a_4a_a:Co-F-Li-O,28.0,"Invalid WP multiplicities - A2B7C4D_mC56_9_2a_9a_4a_a:Co-F-Li-O, expected Li4Co2OF9 to be Li4Co2OF7" +mp-765659,Li2Co4OF8,-5.7831869658,-2.2838778082,0.142689844,0.142689844,GGA+U,P1,A4B8C2D_aP60_1_16a_32a_8a_4a:Co-F-Li-O,60.0,A4B8C2D_aP60_1_16a_32a_8a_4a:Co-F-Li-O +mp-760346,Li2Co4OF8,-5.833078918,-2.3337697604,0.0927978918,0.0927978918,GGA+U,P-1,A4B8C2D_aP30_2_4i_8i_2i_i:Co-F-Li-O,30.0,"Invalid WP multiplicities - A4B8C2D_aP30_2_7i_15i_3i_i:Co-F-Li-O, expected Li3Co7OF15 to be Li2Co4OF8" +mp-765686,Li2Co4OF8,-5.8488528733,-2.3495437157,0.0770239365,0.0770239365,GGA+U,Cc,A4B8C2D_mC60_9_4a_8a_2a_a:Co-F-Li-O,30.0,"Invalid WP multiplicities - A4B8C2D_mC60_9_6a_16a_4a_a:Co-F-Li-O, expected Li4Co6OF16 to be Li2Co4OF8" +mp-764063,Li2CoO2F,-6.0098600767,-2.2213567569,0.0023385417,0.0023385417,GGA+U,P-3m1,ABC2D2_hP12_164_d_d_abd_cd:Co-F-Li-O,12.0,ABC2D2_hP12_164_d_d_abd_cd:Co-F-Li-O +mp-849472,Li5Co7O3F13,-5.896252745,-2.3608194732,0.0530787537,0.0530787537,GGA+U,P1,A7B13C5D3_aP28_1_7a_13a_5a_3a:Co-F-Li-O,28.0,A7B13C5D3_aP28_1_7a_13a_5a_3a:Co-F-Li-O +mp-1342805,Li5Co7O3F13,-4.6776859536,-1.1422526818,1.2716455451,1.2716455451,GGA+U,P1,A7B13C5D3_aP28_1_7a_13a_5a_3a:Co-F-Li-O,28.0,A7B13C5D3_aP28_1_7a_13a_5a_3a:Co-F-Li-O +mp-764088,Li6Co2OF11,-5.2060822365,-2.6239257293,0.0713816558,0.0713816558,GGA+U,P1,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O,20.0,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O +mp-799002,Li6Co2OF11,-3.965159093,-1.3830025858,1.3123047993,1.3123047993,GGA+U,P1,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O,20.0,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O +mp-1345667,Li6Co2OF11,-4.6888787665,-2.1067222593,0.5885851258,0.5885851258,GGA+U,P1,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O,20.0,A2B11C6D_aP20_1_2a_11a_6a_a:Co-F-Li-O +mp-764225,LiCo5O5F,-6.8706807708,-1.5293945737,0.0691101556,0.0691101556,GGA+U,P3m1,A5BCD5_hP12_156_2a3b_b_a_3a2b:Co-F-Li-O,12.0,A5BCD5_hP12_156_2a3b_b_a_3a2b:Co-F-Li-O +mp-759652,Li4CoOF4,-5.4740175357,-2.7403561515,0.049402878,0.049402878,GGA+U,I4/mmm,AB4C4D_tI20_139_a_2e_2e_b:Co-F-Li-O,40.0,AB4C4D_tI20_139_a_2e_2e_b:Co-F-Li-O +mp-942701,LiCoSO4F,-6.4560679578,-2.0995774152,0.0072727363,0.0072727363,GGA+U,P-1,ABCD4E_aP16_2_ab_i_i_4i_i:Co-F-Li-O-S,32.0,"Invalid WP multiplicities - ABCD4E_aP16_2_2a2b_i_i_4i_i:Co-F-Li-O-S, expected LiCo2SO4F to be LiCoSO4F" +mp-759580,Li4Co3O3F4,-5.9512067779,-2.2764477168,0.0833849487,0.0833849487,GGA+U,I4/mmm,A3B4C4D3_tI28_139_ae_2e_2e_be:Co-F-Li-O,14.0,"Invalid WP multiplicities - A3B4C4D3_tI28_139_a2e_3e_3e_b2e:Co-F-Li-O, expected Li6Co5O5F6 to be Li4Co3O3F4" +mp-752884,Li5CoOF5,-5.4146464167,-2.8182284436,0.0342281806,0.0342281806,GGA+U,P4/mmm,AB5C5D_tP12_123_a_bgh_dgh_c:Co-F-Li-O,24.0,AB5C5D_tP12_123_a_bgh_dgh_c:Co-F-Li-O +mp-850339,Li5CoOF5,-5.4120432892,-2.8156253161,0.0368313081,0.0368313081,GGA+U,P3m1,AB5C5D_hP12_156_a_3a2b_2a3b_b:Co-F-Li-O,48.0,AB5C5D_hP12_156_a_3a2b_2a3b_b:Co-F-Li-O +mp-1076665,KNa7V7CrO24,-7.2254689012,-2.1672440255,0.174574041,0.174574041,GGA+U,R3m,ABC7D24E7_hR120_160_a_a_a2b_4b2c_a2b:Cr-K-Na-O-V,40.0,"Invalid WP multiplicities - ABC7D24E7_hR120_160_a_a_a6b_12b10c_a4b:Cr-K-Na-O-V, expected KNa19V13CrO96 to be KNa7V7CrO24" +mp-1099932,KNa7V6Cr2O24,-7.1747151077,-2.102261697,0.1941936545,0.1941936545,GGA+U,Amm2,A2BC7D24E6_oC80_38_c_a_a2bde_2a2bde4f_cf:Cr-K-Na-O-V,40.0,"Invalid WP multiplicities - A2BC7D24E6_oC80_38_c_a_a2b2d2e_2a2b2d2e8f_cf:Cr-K-Na-O-V, expected KNa11V6Cr2O44 to be KNa7V6Cr2O24" +mp-1076821,KNa7V7CrO20,-7.344934942,-2.2743171591,0.1105970999999999,0.1105970999999999,GGA+U,P1,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Cr-K-Na-O-V,144.0,ABC7D20E7_aP144_1_4a_4a_28a_80a_28a:Cr-K-Na-O-V +mp-1099912,KNa7V6Cr2O20,-7.304713551,-2.2182862847,0.1547682414,0.1547682414,GGA+U,P1,A2BC7D20E6_aP144_1_8a_4a_28a_80a_24a:Cr-K-Na-O-V,144.0,A2BC7D20E6_aP144_1_8a_4a_28a_80a_24a:Cr-K-Na-O-V +mp-557215,KV2CrO7,-8.1502807532,-2.3722735227,0.0204156485,0.0204156485,GGA+U,P2/c,ABC7D2_mP22_13_a_f_e3g_g:Cr-K-O-V,22.0,"Invalid WP multiplicities - ABC7D2_mP22_13_a_e_f9g_g:Cr-K-O-V, expected KV2CrO19 to be KV2CrO7" +mp-766474,Sr2FeCO3F5,-6.8857710373,-3.0961764889,0.0,-0.0041106817,GGA+U,P2_1/c,AB5CD3E2_mP48_14_e_5e_e_3e_2e:C-F-Fe-O-Sr,48.0,"Invalid WP multiplicities - AB5CD3E2_mP48_14_e_17e_e_11e_5e:C-F-Fe-O-Sr, expected Sr5FeCO11F17 to be Sr2FeCO3F5" +mp-23801,K2H2IrCl5O,-4.4413789798,-1.5291920547,0.0015801352,0.0015801352,GGA,Pnma,A5B2CD2E_oP44_62_3cd_d_c_d_c:Cl-H-Ir-K-O,44.0,"Invalid WP multiplicities - A5B2CD2E_oP44_62_5c2d_d_c_d_c:Cl-H-Ir-K-O, expected K2H2IrCl9O to be K2H2IrCl5O" +mp-1200426,Sr2Fe2P3(O6F)2,-7.5152592429,-2.7656326087,0.021508655,0.021508655,GGA+U,P-1,A2B2C12D3E2_aP42_2_2i_2i_12i_3i_2i:F-Fe-O-P-Sr,42.0,A2B2C12D3E2_aP42_2_2i_2i_12i_3i_2i:F-Fe-O-P-Sr +mp-557850,SrFeP(O2F)2,-7.3111231056,-2.9575086667,0.0102319778,0.0102319778,GGA+U,P2_1/c,A2BC4DE_mP36_14_2e_ad_4e_e_e:F-Fe-O-P-Sr,36.0,"Invalid WP multiplicities - A2BC4DE_mP36_14_4e_ad_14e_e_e:F-Fe-O-P-Sr, expected SrFeP(O7F2)2 to be SrFeP(O2F)2" +mp-1173402,NiGeH12(OF)6,-5.2628932062,-1.7142438543,0.0,-0.0233560624,GGA+U,R-3,A6BC12DE6_hR78_148_f_a_2f_b_f:F-Ge-H-Ni-O,26.0,"Invalid WP multiplicities - A6BC12DE6_hR78_148_f_a_9f_b_f:F-Ge-H-Ni-O, expected NiGeH54(OF)6 to be NiGeH12(OF)6" +mp-1173470,NiGeH12(OF)6,-3.2066964804,0.3419528714,2.0561967258,2.0328406633,GGA+U,R-3,A6BC12DE6_hR78_148_f_a_2f_b_f:F-Ge-H-Ni-O,26.0,"Invalid WP multiplicities - A6BC12DE6_hR78_148_f_a_9f_b_f:F-Ge-H-Ni-O, expected NiGeH54(OF)6 to be NiGeH12(OF)6" +mp-568514,BPBr2NCl3,-4.7030982616,-1.0679912813,0.0566678662,0.0566678662,GGA,Cmce,AB2C3DE_oC64_64_d_g_fg_f_f:B-Br-Cl-N-P,32.0,"Invalid WP multiplicities - AB2C3DE_oC64_64_d_g_4f5g_f_f:B-Br-Cl-N-P, expected BPBr2NCl14 to be BPBr2NCl3" +mp-569608,BP2N2Cl7,-5.0542579148,-1.1276959769,0.001132506,0.001132506,GGA,P2_1/c,AB7C2D2_mP48_14_e_7e_2e_2e:B-Cl-N-P,48.0,"Invalid WP multiplicities - AB7C2D2_mP48_14_e_25e_4e_6e:B-Cl-N-P, expected BP6N4Cl25 to be BP2N2Cl7" +mp-28426,B2PCl2,-5.2174474024,-0.7236155287,0.2202038192,0.2202038192,GGA,Pbcn,A2B2C_oP80_60_4d_4d_2d:B-Cl-P,80.0,A2B2C_oP80_60_4d_4d_2d:B-Cl-P +mp-1218615,Sr3Ca2P3O12F,-7.5447245657,-3.4213278446,0.0060688534,0.0060688534,GGA,P1,A2BC12D3E3_aP42_1_4a_2a_24a_6a_6a:Ca-F-O-P-Sr,42.0,A2BC12D3E3_aP42_1_4a_2a_24a_6a_6a:Ca-F-O-P-Sr +mp-1208696,SrCa4P3O12F,-7.5723211998,-3.4188191047,0.0048691928,0.0048691928,GGA,P6_3,A4BC12D3E_hP42_173_bc_a_4c_c_b:Ca-F-O-P-Sr,42.0,A4BC12D3E_hP42_173_bc_a_4c_c_b:Ca-F-O-P-Sr +mp-561063,BaFe2P2O7F2,-7.6575320168,-2.7907176391,0.0,-0.0299845932,GGA+U,Pmmn,AB2C2D7E2_oP28_59_a_e_c_beg_e:Ba-F-Fe-O-P,28.0,AB2C2D7E2_oP28_59_a_e_c_beg_e:Ba-F-Fe-O-P +mp-1214449,BaFeP(O2F)2,-7.3494175653,-2.9703051834,0.0,-0.0254226508,GGA+U,P2_1/c,AB2CD4E_mP36_14_e_2e_ad_4e_e:Ba-F-Fe-O-P,36.0,AB2CD4E_mP36_14_e_2e_ad_4e_e:Ba-F-Fe-O-P +mp-1198352,Ba3Fe2P4(O6F5)2,-6.7383618027,-2.7762575616,0.1738981321,0.1738981321,GGA+U,C2/c,A3B10C2D12E4_mC124_15_ef_5f_f_6f_2f:Ba-F-Fe-O-P,62.0,A3B10C2D12E4_mC124_15_ef_5f_f_6f_2f:Ba-F-Fe-O-P +mp-1201252,CsBe2P2HO8,-7.1794409754,-2.7389360575,0.0,-0.0336999681,GGA,P-1,A2BCD8E2_aP56_2_4i_2i_2i_16i_4i:Be-Cs-H-O-P,56.0,A2BCD8E2_aP56_2_4i_2i_2i_16i_4i:Be-Cs-H-O-P +mp-15395,CsBePO4,-7.1336898575,-2.871565202,0.0,-0.0722140171,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Be-Cs-O-P,28.0,ABC4D_oP28_62_c_c_2cd_c:Be-Cs-O-P +mp-24341,CsBeH3,-3.170810747,-0.2082120726,0.0,-0.0192723743,GGA,P2_1/m,ABC3_mP10_11_e_e_ef:Be-Cs-H,10.0,ABC3_mP10_11_e_e_ef:Be-Cs-H +mp-571384,KMnAg3(CN)6,-7.21248351,0.0911073579,0.2839636061,0.2839636061,GGA,P312,A3B6CDE6_hP17_149_k_l_a_c_l:Ag-C-K-Mn-N,17.0,A3B6CDE6_hP17_149_k_l_a_c_l:Ag-C-K-Mn-N +mp-1247248,MnAgN,-6.8132840433,-0.0362619699,0.2825216878,0.2825216878,GGA,C2/m,ABC_mC24_12_2i_2i_2i:Ag-Mn-N,12.0,ABC_mC24_12_2i_2i_2i:Ag-Mn-N +mp-1246693,MnAgN,-6.7309959067000005,0.0460261668,0.3648098244,0.3648098244,GGA,P-6m2,ABC_hP3_187_b_c_a:Ag-Mn-N,3.0,ABC_hP3_187_b_c_a:Ag-Mn-N +mp-10666,Mn3AgN,-7.873970368,-0.1429510071,0.1013903969,0.1013903969,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Ag-Mn-N,5.0,AB3C_cP5_221_a_c_b:Ag-Mn-N +mp-1516537,KEuYSbO6,-7.850935335,-2.6866347982,0.1296210359,0.1296210359,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-Sb-Y +mp-557237,K5In3(SiO3)7,-7.138360929,-2.8143405103,0.0,-0.0186664185,GGA,Pna2_1,A3B5C21D7_oP144_33_3a_5a_21a_7a:In-K-O-Si,144.0,"Invalid WP multiplicities - A3B5C21D7_oP144_33_8a_16a_76a_26a:In-K-O-Si, expected K8In4Si13O38 to be K5In3(SiO3)7" +mp-775466,K2InSi4HO11,-7.2598474729,-2.8135287564,0.0,-0.0066451445,GGA,P2_1/m,ABC2D11E4_mP76_11_2e_f_4e_6e8f_4f:H-In-K-O-Si,76.0,"Invalid WP multiplicities - ABC2D11E4_mP76_11_3e_f_7e_12e15f_7f:H-In-K-O-Si, expected K7In2Si14(HO14)3 to be K2InSi4HO11" +mp-1225988,K4In9Si14,-3.7613828454,0.1334764797,0.2070143612,0.2070143612,GGA,Ama2,A9B4C14_oC108_40_b4c_a3b_a5b4c:In-K-Si,54.0,"Invalid WP multiplicities - A9B4C14_oC108_40_b12c_2a3b_2a9b16c:In-K-Si, expected K5In25Si43 to be K4In9Si14" +mp-553982,K4In2Si8O21,-7.429306872,-2.9370791456000003,0.0,-0.0087533887,GGA,P2_1/c,A2B4C21D8_mP70_14_e_2e_a10e_4e:In-K-O-Si,70.0,"Invalid WP multiplicities - A2B4C21D8_mP70_14_e_5e_2a36e_12e:In-K-O-Si, expected K5InSi12O37 to be K4In2Si8O21" +mp-1235081,LiTmU2S3O2,-8.0597788744,-2.3630782819,0.1938998507,0.1938998507,GGA,Cm,AB2C3DE2_mC18_8_a_b_3a_a_2a:Li-O-S-Tm-U,9.0,AB2C3DE2_mC18_8_a_b_3a_a_2a:Li-O-S-Tm-U +mp-1235285,LiTmU2S3O2,-8.1069964011,-2.4102958085,0.146682324,0.146682324,GGA,Amm2,AB2C3DE2_oC18_38_a_ab_a2b_b_ab:Li-O-S-Tm-U,9.0,AB2C3DE2_oC18_38_a_ab_a2b_b_ab:Li-O-S-Tm-U +mp-1236204,LiTmU2S3O2,-8.0615587656,-2.364858173,0.1921199596,0.1921199596,GGA,Imm2,AB2C3DE2_oI18_44_b_2b_3a_a_2a:Li-O-S-Tm-U,9.0,AB2C3DE2_oI18_44_b_2b_3a_a_2a:Li-O-S-Tm-U +mp-1216697,Tm4US7,-6.9808846767,-2.1350596124,0.1172809452,0.1172809452,GGA,Cm,A7B4C_mC24_8_7a_4a_a:S-Tm-U,12.0,A7B4C_mC24_8_7a_4a_a:S-Tm-U +mp-1025490,TmU2S3O2,-8.8644420675,-2.6942692592,0.0371304808,0.0371304808,GGA,I4/mmm,A2B3CD2_tI16_139_d_ae_b_e:O-S-Tm-U,8.0,A2B3CD2_tI16_139_d_ae_b_e:O-S-Tm-U +mp-1191291,Hg2SBr4N2O3,-3.6086703642,-0.0695887058,0.8781607608,0.8781607608,GGA,P2_1/m,A4B2C2D3E_mP24_11_4e_2e_2e_ef_e:Br-Hg-N-O-S,24.0,A4B2C2D3E_mP24_11_4e_2e_2e_ef_e:Br-Hg-N-O-S +mp-669543,RbHgC3(SN)3,-6.2566832359,-0.2213154822,0.1350614787,0.1350614787,GGA,P2_1/m,A3BC3DE3_mP22_11_3e_e_3e_e_3e:C-Hg-N-Rb-S,22.0,"Invalid WP multiplicities - A3BC3DE3_mP22_11_6e_e_6e_e_6e:C-Hg-N-Rb-S, expected RbHgC6(SN)6 to be RbHgC3(SN)3" +mp-619486,Rb2Hg(CN)4,-6.6844998861,-0.091282597,0.2482615173,0.2482615173,GGA,R-3c,A4BC4D2_hR132_167_cf_c_cf_be:C-Hg-N-Rb,44.0,"Invalid WP multiplicities - A4BC4D2_hR132_167_3c3f_c_3c3f_2b3e:C-Hg-N-Rb, expected Rb11Hg2(CN)24 to be Rb2Hg(CN)4" +mp-768195,Li2ErPCO7,-7.5952264771,-2.7906970170000003,0.0904793912,0.0904793912,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Er-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Er-Li-O-P, expected Li2ErPCO13 to be Li2ErPCO7" +mp-555065,LiEr(PO3)4,-7.7895541842,-2.9289921709,0.0080977084,0.0080977084,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Er-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_22f_7f:Er-Li-O-P, expected LiEr(P7O22)2 to be LiEr(PO3)4" +mp-555303,LiEr(PO3)4,-7.7173917731,-2.8568297598,0.0802601195,0.0802601195,GGA,C2/c,ABC12D4_mC72_15_e_a_6f_2f:Er-Li-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_a_22f_6f:Er-Li-O-P, expected LiEr(P3O11)4 to be LiEr(PO3)4" +mp-567794,ZnH16C4(Br2N)2,-4.7726476443,-0.5006800343,0.0560093596,0.0560093596,GGA,P2_1/c,A4B4C16D2E_mP108_14_4e_4e_16e_2e_e:Br-C-H-N-Zn,108.0,"Invalid WP multiplicities - A4B4C16D2E_mP108_14_12e_15e_62e_7e_e:Br-C-H-N-Zn, expected ZnH62C15Br12N7 to be ZnH16C4(Br2N)2" +mp-1201037,ZnH36(C5N)12,-7.1163582722,0.0135109928,0.2012328733,0.2012328733,GGA,P-1,A60B36C12D_aP109_2_30i_18i_6i_a:C-H-N-Zn,109.0,A60B36C12D_aP109_2_30i_18i_6i_a:C-H-N-Zn +mp-1178711,ZnC2(Br2N3)2,-5.5080480827,0.3341178762,0.6940971997000001,0.6940971997000001,GGA,P-1,A4B2C6D_aP26_2_4i_2i_6i_i:Br-C-N-Zn,26.0,A4B2C6D_aP26_2_4i_2i_6i_i:Br-C-N-Zn +mp-1194420,ZnC2(Br2N3)2,-5.5996289312,0.2425370277,0.6025163513,0.6025163513,GGA,P-1,A4B2C6D_aP26_2_4i_2i_6i_i:Br-C-N-Zn,26.0,A4B2C6D_aP26_2_4i_2i_6i_i:Br-C-N-Zn +mp-1227159,CaYGa3O7,-7.1656300463,-2.8170317096,0.0448250393,0.0448250393,GGA,Cmm2,AB3C7D_oC48_35_d_cde_abde2f_e:Ca-Ga-O-Y,24.0,"Invalid WP multiplicities - AB3C7D_oC48_35_d_c2d2e_ab2d2e7f_e:Ca-Ga-O-Y, expected CaYGa5O19 to be CaYGa3O7" +mp-695475,Ca3YGa3B4O15,-7.7049013935,-2.9939222945,0.0356889958,0.0356889958,GGA,Pm,A4B3C3D15E_mP104_6_3a3b5c_3a3b3c_6c_6a6b24c_abc:B-Ca-Ga-O-Y,104.0,"Invalid WP multiplicities - A4B3C3D15E_mP104_6_3a3b5c_3a3b3c_10c_6a6b36c_abc:B-Ca-Ga-O-Y, expected Ca3YGa5B4O21 to be Ca3YGa3B4O15" +mp-15073,BaSmC2O6F,-8.0605559927,-2.9072375114,0.0,-0.0584752418,GGA,R-3m,AB2CD6E_hR66_166_ab_2c_c_2h_c:Ba-C-F-O-Sm,22.0,"Invalid WP multiplicities - AB2CD6E_hR66_166_ab_2c_c_3h_c:Ba-C-F-O-Sm, expected BaSmC2O9F to be BaSmC2O6F" +mp-1210169,RbSm(SO6)2,-5.8625784278,-1.279310648,0.6099935448,0.6099935448,GGA,P2_1/c,A12BC2D_mP64_14_12e_e_2e_e:O-Rb-S-Sm,64.0,A12BC2D_mP64_14_12e_e_2e_e:O-Rb-S-Sm +mp-695906,RbSmH8(SO6)2,-6.0887436224,-1.9023230876,0.0,-0.0017599488,GGA,P2_1/c,A8B12CD2E_mP96_14_8e_12e_e_2e_e:H-O-Rb-S-Sm,96.0,A8B12CD2E_mP96_14_8e_12e_e_2e_e:H-O-Rb-S-Sm +mp-1005754,SmHSO5,-7.1477525553,-2.5251018549,0.0,-0.0179157751,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:H-O-S-Sm,32.0,AB5CD_mP32_14_e_5e_e_e:H-O-S-Sm +mp-6633,NaCSN,-6.3360278963,-0.5799940018,0.0,-0.0025345152,GGA,Pnma,ABCD_oP16_62_c_c_c_c:C-N-Na-S,16.0,ABCD_oP16_62_c_c_c_c:C-N-Na-S +mp-556012,NaCSN,-6.2766143681,-0.5205804737,0.0594135281,0.0568790129,GGA,Pnma,ABCD_oP16_62_c_c_c_c:C-N-Na-S,16.0,ABCD_oP16_62_c_c_c_c:C-N-Na-S +mp-555524,Na4MgC6(SN)6,-6.5195621496000005,-0.5586907178,0.0295895427,0.0295895427,GGA,P-31c,A6BC6D4E6_hP46_163_i_c_i_bdf_i:C-Mg-N-Na-S,46.0,"Invalid WP multiplicities - A6BC6D4E6_hP46_163_i_c_i_2b2df_i:C-Mg-N-Na-S, expected Na6MgC6(SN)6 to be Na4MgC6(SN)6" +mp-697078,Cs2SiP4(HO7)2,-7.1325490748,-2.5713131249,0.0,-0.0135146593,GGA,P-1,A2B2C14D4E_aP46_2_2i_2i_14i_4i_ac:Cs-H-O-P-Si,46.0,A2B2C14D4E_aP46_2_2i_2i_14i_4i_ac:Cs-H-O-P-Si +mp-1207784,Y5(CoTe)2,-6.704937725,-0.8343151757,0.0,-0.0556935553,GGA,Cmcm,A2B2C5_oC36_63_2c_f_c2f:Co-Te-Y,18.0,A2B2C5_oC36_63_2c_f_c2f:Co-Te-Y +mp-1190505,Y2CoTe2(SO7)2,-7.2779098488,-2.3324615869,0.0,-0.0096634421,GGA+U,P-1,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Te-Y,84.0,AB14C2D2E2_aP21_2_a_7i_i_i_i:Co-O-S-Te-Y +mp-864879,NbC2NCl8,-5.2961849712,-0.9892329521,0.089492387,0.089492387,GGA,Cmc2_1,A2B8CD_oC48_36_2a_4a2b_a_a:C-Cl-N-Nb,24.0,A2B8CD_oC48_36_2a_4a2b_a_a:C-Cl-N-Nb +mp-569921,Nb3H12C4NCl9,-5.4117849272,-0.8288671860000001,0.0675881986,0.0675881986,GGA,P-3m1,A4B9C12DE3_hP58_164_di_g2i_2ij_d_i:C-Cl-H-N-Nb,58.0,"Invalid WP multiplicities - A4B9C12DE3_hP58_164_2d3i_5g8i_9i5j_d_i:C-Cl-H-N-Nb, expected Nb3H57C11NCl39 to be Nb3H12C4NCl9" +mp-866807,TiZnH12(OF)6,-5.40009547,-1.8994433839,0.0200612804,0.0111521033,GGA,R-3,A6B12C6DE_hR78_148_f_2f_f_a_b:F-H-O-Ti-Zn,26.0,"Invalid WP multiplicities - A6B12C6DE_hR78_148_f_9f_f_a_b:F-H-O-Ti-Zn, expected TiZnH54(OF)6 to be TiZnH12(OF)6" +mp-685281,TiZnH12(OF)6,-5.4201567504,-1.9195046643,0.0,-0.0089091771,GGA,R-3,A6B12C6DE_hR78_148_f_2f_f_a_b:F-H-O-Ti-Zn,26.0,"Invalid WP multiplicities - A6B12C6DE_hR78_148_f_9f_f_a_b:F-H-O-Ti-Zn, expected TiZnH54(OF)6 to be TiZnH12(OF)6" +mp-777963,Li3SbH18S4O9,-4.9984392391,-1.2272724815,0.0131845404,0.0131845404,GGA,P2_13,A18B3C9D4E_cP140_198_6b_3a_3b_ab_a:H-Li-O-S-Sb,140.0,"Invalid WP multiplicities - A18B3C9D4E_cP140_198_61b_9a_25b_3a2b_a:H-Li-O-S-Sb, expected Li9SbH183(S3O25)3 to be Li3SbH18S4O9" +mp-559615,Na5CrP2(O4F)2,-6.6093176452,-2.6932761688,0.0,-0.0204281376,GGA+U,P-3,AB2C5D8E2_hP54_147_e_g_ab2dfg_4g_g:Cr-F-Na-O-P,54.0,"Invalid WP multiplicities - AB2C5D8E2_hP54_147_e_g_ab4d3f3g_19g_g:Cr-F-Na-O-P, expected Na37Cr3P6(O19F)6 to be Na5CrP2(O4F)2" +mp-720126,Na3Cr2P2O8F3,-7.153269928,-2.7417020154,0.0,-0.0010096318,GGA+U,P1,A2B3C3D8E2_aP54_1_6a_9a_9a_24a_6a:Cr-F-Na-O-P,54.0,A2B3C3D8E2_aP54_1_6a_9a_9a_24a_6a:Cr-F-Na-O-P +mp-755075,CrPO4F,-7.71176216,-2.4596787615,0.044157082,0.044157082,GGA+U,P-1,ABC4D_aP14_2_ab_i_4i_i:Cr-F-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_ab_i_7i_i:Cr-F-O-P, expected CrPO7F to be CrPO4F" +mp-770697,CrPO4F,-7.7171718627,-2.4650884642,0.0387473793,0.0387473793,GGA+U,Pna2_1,ABC4D_oP56_33_2a_2a_8a_2a:Cr-F-O-P,56.0,"Invalid WP multiplicities - ABC4D_oP56_33_5a_5a_29a_5a:Cr-F-O-P, expected Cr5P5O29F5 to be CrPO4F" +mp-768216,Li2BiPCO7,-7.0309881221,-2.2870611353,0.0480241308,0.0480241308,GGA,P2_1,ABC2D7E_mP24_4_a_a_2a_7a_a:Bi-C-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_4_a_a_3a_13a_a:Bi-C-Li-O-P, expected Li3BiPCO13 to be Li2BiPCO7" +mp-768160,Li2BiPCO7,-7.0214101729,-2.2774831861,0.05760208,0.05760208,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Bi-C-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Bi-C-Li-O-P, expected Li2BiPCO13 to be Li2BiPCO7" +mp-759594,V3FeCo2(PO4)6,-7.9981029025,-2.4109162603,0.0660719058,0.0660719058,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Co-Fe-O-P-V, expected V3FeCo2(PO10)6 to be V3FeCo2(PO4)6" +mp-768464,V3Fe2Co(PO4)6,-8.0684853914,-2.4434736543,0.0550307376,0.0550307376,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Fe-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Co-Fe-O-P-V, expected V3Fe2Co(PO10)6 to be V3Fe2Co(PO4)6" +mp-774343,VFe3Co2(PO4)6,-7.8393150183,-2.2862330906,0.0572396791,0.0572396791,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-V, expected VFe3Co2(PO10)6 to be VFe3Co2(PO4)6" +mp-774570,V2Fe3Co(PO4)6,-7.9526776894,-2.3447183096,0.0931580522,0.0931580522,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Co-Fe-O-P-V,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_20b_2b_2a:Co-Fe-O-P-V, expected V2Fe3Co(PO10)6 to be V2Fe3Co(PO4)6" +mp-727220,Ca2B3(HO)13,-2.6576908361,1.6152693866,3.6005372764,3.6005372764,GGA,P-1,A3B2C13D13_aP62_2_3i_2i_13i_13i:B-Ca-H-O,62.0,A3B2C13D13_aP62_2_3i_2i_13i_13i:B-Ca-H-O +mp-699451,Ca2B3(HO)13,-6.2408361189,-1.9678758962,0.0173919936,0.0173919936,GGA,P-1,A3B2C13D13_aP62_2_3i_2i_13i_13i:B-Ca-H-O,62.0,A3B2C13D13_aP62_2_3i_2i_13i_13i:B-Ca-H-O +mp-1226863,CaBHO3,-7.2337738792,-2.7474765742,0.0123599725,0.0056515381,GGA,P2_1,ABCD3_mP12_4_a_a_a_3a:B-Ca-H-O,12.0,ABCD3_mP12_4_a_a_a_3a:B-Ca-H-O +mp-1192226,CaBHO3,-7.2461338517,-2.7598365467,0.0,-0.0067084344,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:B-Ca-H-O,24.0,ABCD3_mP24_14_e_e_e_3e:B-Ca-H-O +mp-1214321,CaB6(HO4)3,-6.8607940342,-1.7871397990000002,0.7837805046,0.7837805046,GGA,P2_1/c,A6BC3D12_mP88_14_6e_e_3e_12e:B-Ca-H-O,88.0,A6BC3D12_mP88_14_6e_e_3e_12e:B-Ca-H-O +mp-1194894,Ca2B5H3O11,-7.540381914,-2.6832432201,0.0240534239,0.0240534239,GGA,Cc,A5B2C3D11_mC84_9_5a_2a_3a_11a:B-Ca-H-O,42.0,A5B2C3D11_mC84_9_5a_2a_3a_11a:B-Ca-H-O +mp-699475,CaB12(H3O2)4,-5.4142324973,-0.4916711833,0.8817928091,0.8817928091,GGA,P2_12_12_1,A12BC12D8_oP132_19_12a_a_12a_8a:B-Ca-H-O,132.0,A12BC12D8_oP132_19_12a_a_12a_8a:B-Ca-H-O +mp-1194867,CaB3HO6,-7.83649226,-2.8258892141,0.0,-0.0006436763,GGA,Pna2_1,A3BCD6_oP44_33_3a_a_a_6a:B-Ca-H-O,44.0,A3BCD6_oP44_33_3a_a_a_6a:B-Ca-H-O +mp-554736,CaB2(H6O5)2,-6.0097871696,-1.7880278466,0.0113435655,0.0113435655,GGA,P2/c,A2BC12D10_mP50_13_g_e_6g_5g:B-Ca-H-O,50.0,"Invalid WP multiplicities - A2BC12D10_mP50_13_g_e_21g_17g:B-Ca-H-O, expected CaB2(H21O17)2 to be CaB2(H6O5)2" +mp-1214282,CaB2(HO4)2,-6.5512282246,-1.8032785937,0.1777579445,0.1777579445,GGA,C2/c,A2BC2D8_mC52_15_f_e_f_4f:B-Ca-H-O,26.0,A2BC2D8_mC52_15_f_e_f_4f:B-Ca-H-O +mp-773894,CaB2(H2O3)2,-6.7683528193,-2.2594743679,0.0174207905,0.0174207905,GGA,P2_1/c,A2BC4D6_mP104_14_4e_2e_8e_12e:B-Ca-H-O,104.0,"Invalid WP multiplicities - A2BC4D6_mP104_14_11e_3e_29e_47e:B-Ca-H-O, expected Ca3B11H29O47 to be CaB2(H2O3)2" +mp-696618,CaB2(H2O3)2,-6.7707194931,-2.2618410416,0.0150541167,0.0150541167,GGA,C2/c,A2BC4D6_mC52_15_f_e_2f_3f:B-Ca-H-O,26.0,A2BC4D6_mC52_15_f_e_2f_3f:B-Ca-H-O +mp-1202263,Li4CaB10(HO5)4,-7.4732810912,-2.6286685922,0.0054133776,0.0054133776,GGA,Pnc2,A10BC4D4E20_oP78_30_ab4c_a_2c_2c_10c:B-Ca-H-Li-O,78.0,A10BC4D4E20_oP78_30_ab4c_a_2c_2c_10c:B-Ca-H-Li-O +mp-1182037,Ca3B4(H4O)3,-5.1958024064,-1.1827503429,0.0,-0.0004649305,GGA,Cmc2_1,A4B3C12D3_oC88_36_2ab_ab_2a5b_ab:B-Ca-H-O,44.0,A4B3C12D3_oC88_36_2ab_ab_2a5b_ab:B-Ca-H-O +mp-560899,CaB3H5O8,-6.8946007259,-2.2721939549,0.0098115025,0.0098115025,GGA,P2_1,A3BC5D8_mP68_4_6a_2a_10a_16a:B-Ca-H-O,68.0,"Invalid WP multiplicities - A3BC5D8_mP68_4_10a_3a_20a_30a:B-Ca-H-O, expected Ca3B10(H2O3)10 to be CaB3H5O8" +mp-705495,CaB3H5O8,-6.8902132074,-2.2678064363,0.014199021,0.014199021,GGA,P2_1/c,A3BC5D8_mP68_14_3e_e_5e_8e:B-Ca-H-O,68.0,A3BC5D8_mP68_14_3e_e_5e_8e:B-Ca-H-O +mp-1195450,Li4Ca2B16(H2O5)7,-7.2052087755,-2.4284562532,0.0052951637,0.0052951637,GGA,C2/c,A16B2C14D4E35_mC284_15_8f_f_7f_2f_e17f:B-Ca-H-Li-O,142.0,A16B2C14D4E35_mC284_15_8f_f_7f_2f_e17f:B-Ca-H-Li-O +mp-1214219,CaB5H4O9,-7.1583806797,-2.2376616631,0.1549759058,0.1549759058,GGA,P2_1/c,A5BC4D9_mP76_14_5e_e_4e_9e:B-Ca-H-O,76.0,A5BC4D9_mP76_14_5e_e_4e_9e:B-Ca-H-O +mp-24065,CaB2H10O9,-6.1264256459,-1.8622509971,0.0076636957,0.0076636957,GGA,P-1,A2BC10D9_aP44_2_2i_i_10i_9i:B-Ca-H-O,44.0,"Invalid WP multiplicities - A2BC10D9_aP44_2_2i_i_14i_13i:B-Ca-H-O, expected CaB2H14O13 to be CaB2H10O9" +mp-706291,Ca2B8H2O15,-7.9633220433,-2.8362066105,0.0,-0.0004648119,GGA,P-1,A8B2C2D15_aP54_2_8i_2i_2i_15i:B-Ca-H-O,54.0,A8B2C2D15_aP54_2_8i_2i_2i_15i:B-Ca-H-O +mp-720430,CaB3H7O9,-6.6427345852,-2.1270817898,0.004930952,0.004930952,GGA,P-1,A3BC7D9_aP40_2_3i_i_7i_9i:B-Ca-H-O,40.0,A3BC7D9_aP40_2_3i_i_7i_9i:B-Ca-H-O +mp-1198301,CaB6(H4O7)2,-7.0458037457,-2.2707209587,0.0122035595,0.0122035595,GGA,P2_1/c,A6BC8D14_mP116_14_6e_e_8e_14e:B-Ca-H-O,116.0,A6BC8D14_mP116_14_6e_e_8e_14e:B-Ca-H-O +mp-1198143,CaB2H10O,-4.3984103473000005,-0.5242437343,0.1498320742,0.1498320742,GGA,Pnma,A2BC10D_oP56_62_2c_c_4c3d_c:B-Ca-H-O,56.0,A2BC10D_oP56_62_2c_c_4c3d_c:B-Ca-H-O +mp-707129,Ca3B6(H4O5)4,-6.562989054,-2.133865916,0.0103837573,0.0103837573,GGA,C2/c,A6B3C16D20_mC180_15_3f_ef_8f_10f:B-Ca-H-O,90.0,A6B3C16D20_mC180_15_3f_ef_8f_10f:B-Ca-H-O +mp-1197116,Ca2B5H7O13,-7.0309011604,-2.3840791539,0.0065715044,0.0065715044,GGA,P2_1/c,A5B2C7D13_mP108_14_5e_2e_7e_13e:B-Ca-H-O,108.0,A5B2C7D13_mP108_14_5e_2e_7e_13e:B-Ca-H-O +mp-733877,CaB3H13O12,-6.1841924534,-1.8562794081,0.0119530409,0.0119530409,GGA,P2_1/c,A3BC13D12_mP116_14_3e_e_13e_12e:B-Ca-H-O,116.0,A3BC13D12_mP116_14_3e_e_13e_12e:B-Ca-H-O +mp-1214470,CaB2H2O7,-6.8159447567,-2.0845567158,0.0615662006,0.0615662006,GGA,P-1,A2BC2D7_aP24_2_2i_i_2i_7i:B-Ca-H-O,24.0,A2BC2D7_aP24_2_2i_i_2i_7i:B-Ca-H-O +mp-23701,CaB8H4O15,-7.7182857462,-2.6035725714,0.0,-0.0126351741,GGA,P2_1,A8BC4D15_mP56_4_8a_a_4a_15a:B-Ca-H-O,56.0,"Invalid WP multiplicities - A8BC4D15_mP56_4_10a_a_4a_19a:B-Ca-H-O, expected CaB10H4O19 to be CaB8H4O15" +mp-722262,CaB3H3O7,-7.2711932157,-2.4962807653,0.0,-0.0012133784,GGA,P2_1/c,A3BC3D7_mP56_14_3e_e_3e_7e:B-Ca-H-O,56.0,A3BC3D7_mP56_14_3e_e_3e_7e:B-Ca-H-O +mp-1238166,CaB12(H3O)8,-5.1147421657,-0.6001369235,0.4207234905,0.4207234905,GGA,P2_12_12_1,A12BC24D8_oP180_19_12a_a_24a_8a:B-Ca-H-O,180.0,A12BC24D8_oP180_19_12a_a_24a_8a:B-Ca-H-O +mp-721875,CaB2(HO)8,-6.2454004061,-1.9254161181,0.0373186809,0.0373186809,GGA,P-1,A2BC8D8_aP38_2_2i_i_8i_8i:B-Ca-H-O,38.0,A2BC8D8_aP38_2_2i_i_8i_8i:B-Ca-H-O +mp-1199389,CaB2(HO)8,-6.2485303155,-1.9285460275,0.0341887714,0.0341887714,GGA,P-1,A2BC8D8_aP38_2_2i_i_8i_8i:B-Ca-H-O,38.0,A2BC8D8_aP38_2_2i_i_8i_8i:B-Ca-H-O +mp-757666,CaB5H3O10,-7.5875718195,-2.5850652941,0.0126263562,0.0126263562,GGA,P2_1/c,A5BC3D10_mP76_14_5e_e_3e_10e:B-Ca-H-O,76.0,"Invalid WP multiplicities - A5BC3D10_mP76_14_17e_e_11e_37e:B-Ca-H-O, expected CaB17H11O37 to be CaB5H3O10" +mp-1205240,AlB3(H5N)6,-4.7642019687,-0.3745894177,0.0083737262,0.0083737262,GGA,Pbcn,AB3C30D6_oP320_60_d_3d_30d_6d:Al-B-H-N,320.0,AB3C30D6_oP320_60_d_3d_30d_6d:Al-B-H-N +mp-695962,LiAl(H2N)4,-4.9917021098,-0.2672530558,0.3698220841,0.3698220841,GGA,P2_1/c,AB8CD4_mP56_14_e_8e_e_4e:Al-H-Li-N,56.0,AB8CD4_mP56_14_e_8e_e_4e:Al-H-Li-N +mp-1199564,Li2AlB5(H19N3)2,-4.5924456685,-0.3635429824,0.034938649,0.034938649,GGA,P-3c1,AB5C38D2E6_hP104_165_b_df_d6g_d_g:Al-B-H-Li-N,104.0,AB5C38D2E6_hP104_165_b_df_d6g_d_g:Al-B-H-Li-N +mp-706662,AlB3H14N,-4.2428371984,-0.0523945301,0.2409171839,0.2409171839,GGA,P2_1/c,AB3C14D_mP152_14_2e_6e_28e_2e:Al-B-H-N,152.0,AB3C14D_mP152_14_2e_6e_28e_2e:Al-B-H-N +mp-1252808,AlB3H14N,-4.2592735428,-0.0688308745,0.2244808395,0.2244808395,GGA,P2_1/c,AB3C14D_mP152_14_2e_6e_28e_2e:Al-B-H-N,152.0,AB3C14D_mP152_14_2e_6e_28e_2e:Al-B-H-N +mp-1046616,Sr2YV2GaO7,-7.7697002842,-2.7183012718,0.1669476141,0.1669476141,GGA+U,C2,AB7C2D2E_mC52_5_c_7c_2c_2c_ab:Ga-O-Sr-V-Y,26.0,"Invalid WP multiplicities - AB7C2D2E_mC52_5_c_14c_2c_3c_ab:Ga-O-Sr-V-Y, expected Sr2YV3GaO14 to be Sr2YV2GaO7" +mp-976447,NaCrH8(NF3)2,-5.4033163072,-1.7222471529,0.0127521767,0.0127521767,GGA+U,Fm-3m,AB6C8D2E_cF72_225_a_e_f_c_b:Cr-F-H-N-Na,18.0,AB6C8D2E_cF72_225_a_e_f_c_b:Cr-F-H-N-Na +mp-973225,Na2CrH2F8,-5.2115579831,-2.5672978379,0.0,-0.0343444039,GGA+U,C2/m,AB8C2D2_mC26_12_a_2ij_i_h:Cr-F-H-Na,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_12_a_3i4j_i_h:Cr-F-H-Na, expected Na2CrH2F22 to be Na2CrH2F8" +mp-1523094,KSrEuWO6,-8.286839579,-2.7173239092,0.0432619033,0.0432619033,GGA+U,Pnnn,ABC6DE_oP40_48_e_ab_3m_cd_f:Eu-K-O-Sr-W,40.0,"Invalid WP multiplicities - ABC6DE_oP40_48_e_2a2b_6m_cd_f:Eu-K-O-Sr-W, expected K2SrEuWO12 to be KSrEuWO6" +mp-1523267,KSrEuWO6,-8.2700925,-2.7005768302,0.0600089823,0.0600089823,GGA+U,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Sr-W,10.0,ABC6DE_cF40_216_a_c_f_d_b:Eu-K-O-Sr-W +mp-768661,NaFeCSO7,-7.1223560686,-1.8692212649,0.0530421317,0.0530421317,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Fe-Na-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Fe-Na-O-S, expected NaFeCSO13 to be NaFeCSO7" +mp-778306,Na4Fe2C4SO16,-7.2018386809,-1.9267173916,0.0145072464,0.0145072464,GGA+U,P1,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Fe-Na-O-S,54.0,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Fe-Na-O-S +mp-778206,Na4Fe2C4SO16,-7.2072082209,-1.9320869316,0.0091377064,0.0091377064,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Fe-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Fe-Na-O-S, expected Na10Fe2C4SO84 to be Na4Fe2C4SO16" +mp-771138,Na2FeCSO7,-6.9258375783,-2.0002535671,0.0358653783,0.0358653783,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Na-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Na-O-S +mp-21590,Na6Fe2C4SO16,-7.0299660159,-2.0274375539,0.0,-0.0168685564,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Fe-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_3e4g_b:C-Fe-Na-O-S, expected Na6Fe2C4SO60 to be Na6Fe2C4SO16" +mp-1176545,Na2Fe2C4SO16,-7.3169664024,-1.7256374334,0.0849218817,0.0849218817,GGA+U,P1,A4B2C2D16E_aP50_1_8a_4a_4a_32a_2a:C-Fe-Na-O-S,50.0,A4B2C2D16E_aP50_1_8a_4a_4a_32a_2a:C-Fe-Na-O-S +mp-771992,Na2Fe2C4SO16,-7.3185023974,-1.7271734284,0.0833858867,0.0833858867,GGA+U,Fddd,A4B2C2D16E_oF200_70_h_c_e_4h_b:C-Fe-Na-O-S,50.0,"Invalid WP multiplicities - A4B2C2D16E_oF200_70_h_c_e_27h_b:C-Fe-Na-O-S, expected Na2Fe2C4SO108 to be Na2Fe2C4SO16" +mp-1199198,Al2B3HO8,-7.9525152173,-2.9171178811000003,0.0,-0.0201457716,GGA,Pnma,A2B3CD8_oP56_62_d_cd_c_2c3d:Al-B-H-O,56.0,A2B3CD8_oP56_62_d_cd_c_2c3d:Al-B-H-O +mp-1201953,Ba3Al2B10H4O23,-7.7853891183,-2.8476096248,0.0,-0.0022787131,GGA,Fdd2,A2B10C3D4E23_oF336_43_b_5b_ab_2b_a11b:Al-B-Ba-H-O,84.0,A2B10C3D4E23_oF336_43_b_5b_ab_2b_a11b:Al-B-Ba-H-O +mp-1195235,BaAlB4H3O10,-7.518879505,-2.6753435523,0.0,-0.0014072845,GGA,C2/c,AB4CD3E10_mC152_15_f_4f_f_3f_10f:Al-B-Ba-H-O,76.0,AB4CD3E10_mC152_15_f_4f_f_3f_10f:Al-B-Ba-H-O +mp-1200413,Na2YbPWO8,-7.334339211,-2.5551391115,0.0176800242,0.0176800242,GGA+U,Ibca,A2B8CDE_oI104_73_f_4f_c_d_c:Na-O-P-W-Yb,,A2B8CDE_oI104_73_f_4f_c_d_c:Na-O-P-W-Yb +mp-1228171,K5NaRu(IO11)2,-4.5753854858,-0.4488433272,0.6488569653,0.6488569653,GGA,Cc,A2B5CD22E_mC124_9_2a_5a_a_22a_a:I-K-Na-O-Ru,62.0,"Invalid WP multiplicities - A2B5CD22E_mC124_9_3a_7a_a_33a_a:I-K-Na-O-Ru, expected K7NaRu(IO11)3 to be K5NaRu(IO11)2" +mp-1212661,K2Be2Cu(O3F4)2,-4.8213173497,-1.7281176497,0.3533693743,0.3533693743,GGA,P2_1/c,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Cu-F-K-O,38.0,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Cu-F-K-O +mp-39542,KRb2ZrOF5,-5.973997211,-3.3616720839,0.0201305373,0.0201305373,GGA,I4mm,A5BCD2E_tI20_107_ac_a_a_b_a:F-K-O-Rb-Zr,10.0,A5BCD2E_tI20_107_ac_a_a_b_a:F-K-O-Rb-Zr +mp-557810,BaH6F8,-4.8350122733,-2.3305347433,0.0,-0.1172092093,GGA,P-62c,AB8C6_hP60_190_f_ag2hi_ghi:Ba-F-H,60.0,"Invalid WP multiplicities - AB8C6_hP60_190_f_2a6g11h9i_4g4h7i:Ba-F-H, expected Ba2H66F107 to be BaH6F8" +mp-1198994,BaBAsF10,-5.6656013706,-3.1754263867,0.0,-0.064530712,GGA,Pnma,ABCD10_oP52_62_c_c_c_4c3d:As-B-Ba-F,52.0,ABCD10_oP52_62_c_c_c_4c3d:As-B-Ba-F +mp-1198263,Ba2B2AsH3F18,-5.5716135579,-3.0162038896,0.0,-0.0064562495,GGA,P6_3/mmc,AB2C2D18E3_hP52_194_a_f_f_bfh2k_h:As-B-Ba-F-H,52.0,AB2C2D18E3_hP52_194_a_f_f_bfh2k_h:As-B-Ba-F-H +mp-567861,KNiAu3(CN)6,-7.0967331465,0.0858047436,0.2270790146,0.2270790146,GGA,P312,A3B6CD6E_hP17_149_k_l_a_l_c:Au-C-K-N-Ni,17.0,A3B6CD6E_hP17_149_k_l_a_l_c:Au-C-K-N-Ni +mp-1197650,BaTe3H15(CN)3,-5.0121096209,-0.414699039,0.0567574462,0.0567574462,GGA,C2/c,AB3C15D3E3_mC200_15_f_3f_15f_3f_3f:Ba-C-H-N-Te,100.0,AB3C15D3E3_mC200_15_f_3f_15f_3f_3f:Ba-C-H-N-Te +mp-1193688,NaH8Rh(N2O3)4,-6.1885745797,-0.7925457311,0.1773606117,0.1773606117,GGA,Fm-3,A8B8CD12E_cF120_202_f_ce_a_h_b:H-N-Na-O-Rh,30.0,A8B8CD12E_cF120_202_f_ce_a_h_b:H-N-Na-O-Rh +mp-14374,Na3Rh(NO2)6,-6.5852458768,-1.0983768843,0.0476431808,0.0476431808,GGA,R-3m,A6B3C12D_hR66_166_h_ac_2h_b:N-Na-O-Rh,22.0,"Invalid WP multiplicities - A6B3C12D_hR66_166_h_ac_3h_b:N-Na-O-Rh, expected Na3Rh(NO3)6 to be Na3Rh(NO2)6" +mp-1221037,NaRh(N2O3)4,-6.3500850327,-0.2255824373,0.5796465051,0.5796465051,GGA,Cm,A8BC12D_mC44_8_4a2b_a_4a4b_a:N-Na-O-Rh,22.0,"Invalid WP multiplicities - A8BC12D_mC44_8_4a3b_a_4a8b_a:N-Na-O-Rh, expected NaRh(NO2)10 to be NaRh(N2O3)4" +mp-1190850,NaRh(N2O3)4,-6.352736355,-0.2282337596,0.5769951828000001,0.5769951828000001,GGA,Fm-3,A8BC12D_cF88_202_ce_a_h_b:N-Na-O-Rh,22.0,A8BC12D_cF88_202_ce_a_h_b:N-Na-O-Rh +mp-1199614,Cs2PH4Se3O2,-4.5786039612,-1.1489270207,0.0151743719,0.0151743719,GGA,Pnnm,A2B4C2DE3_oP48_58_abg_2h_h_g_gh:Cs-H-O-P-Se,48.0,A2B4C2DE3_oP48_58_abg_2h_h_g_gh:Cs-H-O-P-Se +mp-1200093,Cs2PH3SeO8,-5.9106465082,-1.8805327379,0.0,-0.0062475713,GGA,P2_1/c,A2B3C8DE_mP60_14_2e_3e_8e_e_e:Cs-H-O-P-Se,60.0,A2B3C8DE_mP60_14_2e_3e_8e_e_e:Cs-H-O-P-Se +mp-1202050,Cs3P(SeO6)2,-5.6881231614,-1.5519233218,0.0944723719,0.0944723719,GGA,C2/c,A3B12CD2_mC72_15_ef_6f_e_f:Cs-O-P-Se,36.0,A3B12CD2_mC72_15_ef_6f_e_f:Cs-O-P-Se +mp-1222810,Li2InP2HO8,-6.7968556654,-2.4852577931,0.0,-0.0069490139,GGA,P2_1,ABC2D8E2_mP28_4_a_a_2a_8a_2a:H-In-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_mP28_4_a_a_3a_12a_3a:H-In-Li-O-P, expected Li3InP3HO12 to be Li2InP2HO8" +mp-769070,BaY4Cl14,-5.5136448783,-2.6892042134,0.0902487638,0.0902487638,GGA,P2_12_12_1,AB14C4_oP76_19_a_14a_4a:Ba-Cl-Y,76.0,"Invalid WP multiplicities - AB14C4_oP76_19_a_53a_13a:Ba-Cl-Y, expected BaY13Cl53 to be BaY4Cl14" +mp-769044,BaY2Cl8,-5.4040004382,-2.7094358521,0.0957606164,0.0957606164,GGA,C2/c,AB8C2_mC44_15_e_4f_f:Ba-Cl-Y,22.0,"Invalid WP multiplicities - AB8C2_mC44_15_e_15f_f:Ba-Cl-Y, expected BaY2Cl30 to be BaY2Cl8" +mp-1207798,Y3BCl3,-6.2997732936,-1.7819997092,0.0,-0.0770477619,GGA,I4_132,AB3C3_cI56_214_a_h_g:B-Cl-Y,28.0,AB3C3_cI56_214_a_h_g:B-Cl-Y +mp-768983,Ba2YCl7,-5.1636173983,-2.8391996369,0.0393657817,0.0393657817,GGA,P2_1,A2B7C_mP40_4_4a_14a_2a:Ba-Cl-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_4_7a_27a_3a:Ba-Cl-Y, expected Ba7Y3Cl27 to be Ba2YCl7" +mp-768954,Ba2YCl7,-5.1934259193,-2.8690081579,0.0095572608,0.0095572608,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Cl-Y, expected Ba5YCl25 to be Ba2YCl7" +mp-768973,Ba2YCl7,-5.1236008615,-2.7991831002,0.0793823185,0.0793823185,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_27e_e:Ba-Cl-Y, expected Ba5YCl27 to be Ba2YCl7" +mp-769005,Ba2YCl7,-5.1393464783,-2.8149287169,0.0636367018,0.0636367018,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Ba-Cl-Y,40.0,"Invalid WP multiplicities - A2B7C_mP40_14_5e_25e_e:Ba-Cl-Y, expected Ba5YCl25 to be Ba2YCl7" +mp-755104,Ba2YCl7,-5.1204879155,-2.7960701542,0.0824952645,0.0824952645,GGA,C2/c,A2B7C_mC40_15_f_e3f_e:Ba-Cl-Y,20.0,"Invalid WP multiplicities - A2B7C_mC40_15_f_2e9f_e:Ba-Cl-Y, expected Ba2YCl20 to be Ba2YCl7" +mp-769009,Ba2YCl7,-5.1132453415,-2.7888275802,0.0897378385,0.0897378385,GGA,Pnma,A2B7C_oP40_62_2c_c3d_c:Ba-Cl-Y,40.0,"Invalid WP multiplicities - A2B7C_oP40_62_5c_3c10d_c:Ba-Cl-Y, expected Ba5YCl23 to be Ba2YCl7" +mp-768958,Ba2Y5Cl19,-5.455086111,-2.7130668038,0.082723389,0.082723389,GGA,P2_1,A2B19C5_mP52_4_2a_19a_5a:Ba-Cl-Y,52.0,"Invalid WP multiplicities - A2B19C5_mP52_4_3a_37a_9a:Ba-Cl-Y, expected Ba3Y9Cl37 to be Ba2Y5Cl19" +mp-768995,Ba2Y5Cl19,-5.4393910917,-2.6973717846,0.0984184083,0.0984184083,GGA,P2_1/c,A2B19C5_mP52_14_e_a9e_d2e:Ba-Cl-Y,52.0,"Invalid WP multiplicities - A2B19C5_mP52_14_e_2a35e_2b8e:Ba-Cl-Y, expected BaY9Cl36 to be Ba2Y5Cl19" +mp-768979,Ba3Y2Cl12,-5.2094910132,-2.8052376623,0.0575030809,0.0575030809,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-Cl-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_9e_45e_7e:Ba-Cl-Y, expected Ba9Y7Cl45 to be Ba3Y2Cl12" +mp-768957,Ba3Y2Cl12,-5.1996274776,-2.7953741267,0.0673666165,0.0673666165,GGA,P2_1/c,A3B12C2_mP68_14_3e_12e_2e:Ba-Cl-Y,68.0,"Invalid WP multiplicities - A3B12C2_mP68_14_11e_47e_3e:Ba-Cl-Y, expected Ba11Y3Cl47 to be Ba3Y2Cl12" +mp-768972,Ba3Y2Cl12,-5.206556965,-2.802303614,0.0604371291,0.0604371291,GGA,C2/c,A3B12C2_mC68_15_ef_6f_f:Ba-Cl-Y,34.0,"Invalid WP multiplicities - A3B12C2_mC68_15_2e3f_23f_f:Ba-Cl-Y, expected Ba4YCl23 to be Ba3Y2Cl12" +mp-768974,BaY3Cl11,-5.4751330083,-2.6983135723,0.090578685,0.090578685,GGA,P2_12_12_1,AB11C3_oP60_19_a_11a_3a:Ba-Cl-Y,60.0,"Invalid WP multiplicities - AB11C3_oP60_19_a_41a_9a:Ba-Cl-Y, expected BaY9Cl41 to be BaY3Cl11" +mp-769003,BaY3Cl11,-5.4937018493,-2.7168824133,0.072009844,0.072009844,GGA,Pmma,AB11C3_oP30_51_e_b3ef2ij_ai:Ba-Cl-Y,30.0,"Invalid WP multiplicities - AB11C3_oP30_51_e_b6e2f4i2j_a2i:Ba-Cl-Y, expected BaY5Cl21 to be BaY3Cl11" +mp-769023,Ba2Y7Cl25,-5.4947740519,-2.6913427527,0.0922746128,0.0922746128,GGA,P2_1/c,A2B25C7_mP68_14_e_a12e_d3e:Ba-Cl-Y,68.0,"Invalid WP multiplicities - A2B25C7_mP68_14_e_2a47e_2b12e:Ba-Cl-Y, expected BaY13Cl48 to be Ba2Y7Cl25" +mp-777883,Ba6YCl15,-4.9103712791,-2.8327180676,0.0947599845,0.0947599845,GGA,C2/c,A6B15C_mC176_15_6f_15f_f:Ba-Cl-Y,88.0,"Invalid WP multiplicities - A6B15C_mC176_15_19f_57f_f:Ba-Cl-Y, expected Ba19YCl57 to be Ba6YCl15" +mp-866310,Ba2YB2ClO6,-7.9175669704,-3.3182441819,0.0,-0.0140608156,GGA,P2_1/m,A2B2CD6E_mP24_11_2e_2e_e_2e2f_e:B-Ba-Cl-O-Y,24.0,A2B2CD6E_mP24_11_2e_2e_e_2e2f_e:B-Ba-Cl-O-Y +mp-768965,BaYCl5,-5.2998829761,-2.7815787827,0.0585552811,0.0585552811,GGA,P2_1/c,AB5C_mP56_14_2e_10e_2e:Ba-Cl-Y,56.0,"Invalid WP multiplicities - AB5C_mP56_14_7e_39e_3e:Ba-Cl-Y, expected Ba7Y3Cl39 to be BaYCl5" +mp-755083,BaYCl5,-5.3161236671,-2.7978194738,0.04231459,0.04231459,GGA,C2/c,AB5C_mC28_15_e_e2f_a:Ba-Cl-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e7f_c:Ba-Cl-Y, expected BaYCl16 to be BaYCl5" +mp-756564,BaYCl5,-5.32200965,-2.8037054567,0.0364286071,0.0364286071,GGA,C2/c,AB5C_mC28_15_e_e2f_e:Ba-Cl-Y,14.0,"Invalid WP multiplicities - AB5C_mC28_15_e_2e5f_e:Ba-Cl-Y, expected BaYCl12 to be BaYCl5" +mp-1247516,Ba2PdN2,-5.573931382,-0.435767074,0.23341925,0.23341925,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ba-N-Pd,5.0,A2B2C_tI10_139_e_e_a:Ba-N-Pd +mp-1194968,BaH2PdN4O9,-6.5431496703,-1.1460622032,0.0786825102,0.0786825102,GGA,P2_1/c,AB2C4D9E_mP68_14_e_2e_4e_9e_e:Ba-H-N-O-Pd,68.0,AB2C4D9E_mP68_14_e_2e_4e_9e_e:Ba-H-N-O-Pd +mp-640925,CuHgC4(SN)4,-6.4650002093,0.049951803,0.2299489156,0.2299489156,GGA,Pbcn,A4BCD4E4_oP56_60_2d_a_c_2d_2d:C-Cu-Hg-N-S,56.0,"Invalid WP multiplicities - A4BCD4E4_oP56_60_12d_a_c_6d_7d:C-Cu-Hg-N-S, expected CuHgC24(S7N6)2 to be CuHgC4(SN)4" +mp-703306,Li2H2BrN,-3.8039063398,-0.3884361601,0.6323161152,0.6323161152,GGA,Pnma,AB2C2D_oP48_62_2c_2d_2cd_d:Br-H-Li-N,48.0,AB2C2D_oP48_62_2c_2d_2cd_d:Br-H-Li-N +mp-1199163,LiH6C3BrN2,-5.6141569888,-0.3697497739,0.1792624448,0.1792624448,GGA,P2_1/c,AB3C6DE2_mP52_14_e_3e_6e_e_2e:Br-C-H-Li-N,52.0,AB3C6DE2_mP52_14_e_3e_6e_e_2e:Br-C-H-Li-N +mp-1193025,KZnI3O2,-3.0973065804,-0.7139324333,0.4947628828,0.4947628828,GGA,P2_12_12_1,A3BC2D_oP28_19_3a_a_2a_a:I-K-O-Zn,28.0,A3BC2D_oP28_19_3a_a_2a_a:I-K-O-Zn +mp-1211403,K2ZnI4,-2.7050121636,-1.3658683201,0.0,-0.0028663869,GGA,P2_1/m,A4B2C_mP14_11_2ef_2e_e:I-K-Zn,14.0,A4B2C_mP14_11_2ef_2e_e:I-K-Zn +mp-1223560,KH2(IO3)3,-4.876386676,-1.0873101101,0.0,-0.001148146,GGA,P1,A2B3CD9_aP30_1_4a_6a_2a_18a:H-I-K-O,30.0,A2B3CD9_aP30_1_4a_6a_2a_18a:H-I-K-O +mp-1203570,ZnH16(IO8)2,-5.0652320119,-1.1327430859,0.0213178764,0.0213178764,GGA,P2_1/c,A16B2C16D_mP70_14_8e_e_8e_a:H-I-O-Zn,70.0,A16B2C16D_mP70_14_8e_e_8e_a:H-I-O-Zn +mp-696649,KH2I3O,-3.5095215021,-1.0434302452,0.0,-0.0066077189,GGA,Pc,A2B3CD_mP14_7_2a_3a_a_a:H-I-K-O,14.0,A2B3CD_mP14_7_2a_3a_a_a:H-I-K-O +mp-757256,ZnH4(IO4)2,-4.9655440043,-1.1421513257,0.0121927617,0.0121927617,GGA,P-1,A4B2C8D_aP30_2_4i_2i_8i_ab:H-I-O-Zn,30.0,"Invalid WP multiplicities - A4B2C8D_aP30_2_7i_3i_15i_ab:H-I-O-Zn, expected ZnH7(IO5)3 to be ZnH4(IO4)2" +mp-863752,K2ZnH4(I2O7)2,-4.9375118136000005,-1.2495696919,0.0,-0.0046629675,GGA,C2,A4B4C2D14E_mC50_5_2c_2c_2b_2a6c_a:H-I-K-O-Zn,25.0,"Invalid WP multiplicities - A4B4C2D14E_mC50_5_3c_3c_2b_2a12c_a:H-I-K-O-Zn, expected K2ZnH6(I3O13)2 to be K2ZnH4(I2O7)2" +mp-1104064,ZnHIO4,-4.8794167457,-1.1776180529,0.0411113505,0.0411113505,GGA,Cc,ABC4D_mC28_9_a_a_4a_a:H-I-O-Zn,14.0,ABC4D_mC28_9_a_a_4a_a:H-I-O-Zn +mp-766021,KH(IO3)2,-4.8762305787,-1.1632315828,0.0035588375,-0.0025613302,GGA,P2_1/c,AB2CD6_mP40_14_ab_2e_e_6e:H-I-K-O,40.0,"Invalid WP multiplicities - AB2CD6_mP40_14_ab_3e_e_23e:H-I-K-O, expected KHI3O23 to be KH(IO3)2" +mp-720407,KH(IO3)2,-4.8797894163,-1.1667904203,0.0,-0.0061201677,GGA,P2_1/c,AB2CD6_mP80_14_2e_4e_2e_12e:H-I-K-O,80.0,AB2CD6_mP80_14_2e_4e_2e_12e:H-I-K-O +mp-706273,KH(IO3)2,-4.8794655199,-1.1664665239,0.0003238964,-0.0057962713,GGA,Pca2_1,AB2CD6_oP80_29_2a_4a_2a_12a:H-I-K-O,80.0,AB2CD6_oP80_29_2a_4a_2a_12a:H-I-K-O +mp-1213013,K2H4IO5,-4.3197135283,-0.81983753,0.601255443,0.601255443,GGA,P-1,A4BC2D5_aP24_2_4i_i_2i_5i:H-I-K-O,24.0,A4BC2D5_aP24_2_4i_i_2i_5i:H-I-K-O +mp-1238921,K2H4IO5,-4.7319150071,-1.2320390087,0.1890539642,0.1890539642,GGA,P-1,A4BC2D5_aP24_2_4i_i_2i_5i:H-I-K-O,24.0,A4BC2D5_aP24_2_4i_i_2i_5i:H-I-K-O +mp-865009,InC6(NCl3)2,-5.5262575903,0.1996015093,0.7550821268,0.7550821268,GGA,I4_1/acd,A6B6CD2_tI240_142_3g_3g_c_g:C-Cl-In-N,120.0,A6B6CD2_tI240_142_3g_3g_c_g:C-Cl-In-N +mp-736446,InH8C8N4Cl7,-4.9237122291,0.4337360691,1.0519026018,1.0519026018,GGA,P2_12_12,A8B7C8DE4_oP56_18_4c_a3c_4c_b_2c:C-Cl-H-In-N,56.0,A8B7C8DE4_oP56_18_4c_a3c_4c_b_2c:C-Cl-H-In-N +mp-866162,YMgAg2,-3.7499974625,-0.31703167,0.0,-0.0196491129,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Y,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Y +mp-30737,YMgAg,-3.9247147556,-0.2916123667,0.0,-0.0433303672,GGA,P-62m,ABC_hP9_189_ad_g_f:Ag-Mg-Y,9.0,ABC_hP9_189_ad_g_f:Ag-Mg-Y +mp-1233046,Y4Mg(AgO3)4,-6.8880278448,-2.213901509,0.1462317096,0.1462317096,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Ag-Mg-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Ag-Mg-O-Y, expected Y4Mg(AgO3)6 to be Y4Mg(AgO3)4" +mp-2218355,YMgAg(WO4)2,-8.2662220685,-2.3901391979,0.1684851632,0.1684851632,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Ag-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Ag-Mg-O-W-Y +mp-2218531,YMgAg(WO4)2,-8.2645844469,-2.3885015764,0.1701227848,0.1701227848,GGA+U,P1,ABC8D2E_aP13_1_a_a_8a_2a_a:Ag-Mg-O-W-Y,13.0,ABC8D2E_aP13_1_a_a_8a_2a_a:Ag-Mg-O-W-Y +mp-2218704,YMgAg(WO4)2,-8.1027259469,-2.2266430764,0.3319812848,0.3319812848,GGA+U,P-1,ABC8D2E_aP13_2_d_a_4i_i_b:Ag-Mg-O-W-Y,13.0,"Invalid WP multiplicities - ABC8D2E_aP13_2_d_a_8i_i_b:Ag-Mg-O-W-Y, expected YMgAg(WO8)2 to be YMgAg(WO4)2" +mp-1047110,YAg(WO4)2,-8.566164685,-2.3337649128,0.0364852029,0.0355630201,GGA+U,P-1,AB8C2D_aP12_2_a_4i_i_e:Ag-O-W-Y,12.0,"Invalid WP multiplicities - AB8C2D_aP12_2_a_8i_i_e:Ag-O-W-Y, expected YAg(WO8)2 to be YAg(WO4)2" +mp-1207659,YAg(WO4)2,-8.6026498879,-2.3702501157,0.0,-0.0009221829,GGA+U,C2/m,AB8C2D_mC48_12_i_2i3j_gi_h:Ag-O-W-Y,24.0,AB8C2D_mC48_12_i_2i3j_gi_h:Ag-O-W-Y +mp-1376266,YAg(WO4)2,-8.5942981608,-2.3618983886,0.0083517271,0.0074295442,GGA+U,P2/c,AB8C2D_mP24_13_e_4g_g_f:Ag-O-W-Y,24.0,AB8C2D_mP24_13_e_4g_g_f:Ag-O-W-Y +mp-28134,Ba2As2S5,-5.131772556,-1.371946331,0.0,-0.0978148096,GGA,Pca2_1,A2B2C5_oP72_29_4a_4a_10a:As-Ba-S,72.0,"Invalid WP multiplicities - A2B2C5_oP72_29_4a_4a_13a:As-Ba-S, expected Ba4As4S13 to be Ba2As2S5" +mp-1214545,Ba5As3SO12,-6.7313977669,-2.5852575613,0.0466683437,0.0466683437,GGA,P6_3/m,A3B5C12D_hP42_176_h_fh_2hi_b:As-Ba-O-S,42.0,A3B5C12D_hP42_176_h_fh_2hi_b:As-Ba-O-S +mp-1228464,Ba5As2(SO6)2,-6.7600980043,-2.6388467767,0.0237566938,0.0237566938,GGA,Pm,A2B5C12D2_mP42_6_2a2b_3a3b2c_6a6b6c_abc:As-Ba-O-S,42.0,"Invalid WP multiplicities - A2B5C12D2_mP42_6_2a2b_3a3b3c_6a6b12c_abc:As-Ba-O-S, expected Ba3AsSO9 to be Ba5As2(SO6)2" +mp-722774,Ba3As2H14S8O7,-5.1432313335,-1.3111211519,0.0127219406,0.0127219406,GGA,P2_1/c,A2B3C14D7E8_mP136_14_2e_3e_14e_7e_8e:As-Ba-H-O-S,136.0,A2B3C14D7E8_mP136_14_2e_3e_14e_7e_8e:As-Ba-H-O-S +mp-1518811,KLaZnWO6,-7.503913102,-2.509471886,0.1276860305,0.1276860305,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-W-Zn,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-W-Zn +mp-1361153,CaSb2S5,-4.6165290688,-0.748297607,0.1961353682,0.1961353682,GGA,Pc,AB5C2_mP32_7_2a_10a_4a:Ca-S-Sb,32.0,"Invalid WP multiplicities - AB5C2_mP32_7_2a_15a_6a:Ca-S-Sb, expected Ca2(Sb2S5)3 to be CaSb2S5" +mp-504882,CaSb10(S3O5)2,-5.8057168415,-1.4508576343,0.0,-0.0149171565,GGA,C2/c,AB10C6D10_mC108_15_e_5f_3f_5f:Ca-O-S-Sb,54.0,AB10C6D10_mC108_15_e_5f_3f_5f:Ca-O-S-Sb +mp-1196948,CaSb4H6(SO8)2,-6.1709927395,-1.8158934214,0.0049201482,0.0049201482,GGA,C2/c,AB6C16D2E4_mC116_15_e_3f_8f_f_2f:Ca-H-O-S-Sb,58.0,AB6C16D2E4_mC116_15_e_3f_8f_f_2f:Ca-H-O-S-Sb +mp-29284,Ca2Sb2S5,-5.0340949161,-1.372822519,0.0,-1.63881e-05,GGA,P2_1/c,A2B5C2_mP36_14_2e_5e_2e:Ca-S-Sb,36.0,A2B5C2_mP36_14_2e_5e_2e:Ca-S-Sb +mp-35269,Ca4Sb2S,-4.3124577121,-1.3957645883,0.0419313328,0.0419313328,GGA,I-42d,A4BC2_tI28_122_e_a_d:Ca-S-Sb,14.0,A4BC2_tI28_122_e_a_d:Ca-S-Sb +mp-775735,Sr2CoCO3F5,-6.5991988377,-2.9230795739,0.0649457365,0.0649457365,GGA+U,P2_1/c,ABC5D3E2_mP48_14_e_e_5e_3e_2e:C-Co-F-O-Sr,48.0,"Invalid WP multiplicities - ABC5D3E2_mP48_14_e_e_17e_11e_5e:C-Co-F-O-Sr, expected Sr5CoCO11F17 to be Sr2CoCO3F5" +mp-1147608,Sr2Co(CO)2,-6.6677436343,-1.1194560473,0.6392450914000001,0.6392450914000001,GGA+U,P4/mmm,A2BC2D2_tP7_123_g_a_f_h:C-Co-O-Sr,7.0,A2BC2D2_tP7_123_g_a_f_h:C-Co-O-Sr +mp-1205204,Zn2NiP2(H2O3)4,-6.0045399916,-1.7794079193,0.0252032465,0.0252032465,GGA+U,Pnma,A8BC12D2E2_oP100_62_4d_c_2c5d_d_d:H-Ni-O-P-Zn,100.0,A8BC12D2E2_oP100_62_4d_c_2c5d_d_d:H-Ni-O-P-Zn +mp-1147632,Ca2CuC(NO)2,-6.9649298538,-1.4767499544,0.2674271421,0.2674271421,GGA,P4/mmm,AB2CD2E2_tP8_123_a_h_b_g_e:C-Ca-Cu-N-O,8.0,AB2CD2E2_tP8_123_a_h_b_g_e:C-Ca-Cu-N-O +mp-1233268,MgTiH6(OF3)2,-5.2902805144,-2.0893817916,0.2917085872,0.2917085872,GGA,P3,A6B6CD2E_hP16_143_2d_2d_a_ab_c:F-H-Mg-O-Ti,16.0,"Invalid WP multiplicities - A6B6CD2E_hP16_143_4d_4d_a_ab_c:F-H-Mg-O-Ti, expected MgTiH12(OF6)2 to be MgTiH6(OF3)2" +mp-1233936,MgTiH6(OF3)2,-5.30630123,-2.1054025072,0.2756878716,0.2756878716,GGA,P3,A6B6CD2E_hP16_143_2d_2d_a_ab_c:F-H-Mg-O-Ti,16.0,"Invalid WP multiplicities - A6B6CD2E_hP16_143_4d_4d_a_ab_c:F-H-Mg-O-Ti, expected MgTiH12(OF6)2 to be MgTiH6(OF3)2" +mp-1214890,AlCo(OF)6,-4.6517349454,-0.9372421098,0.7854302968,0.7854302968,GGA+U,C2/m,ABC6D6_mC56_12_f_ab_3j_g3ij:Al-Co-F-O,28.0,ABC6D6_mC56_12_e_ab_3j_g3ij:Al-Co-F-O +mp-818579,KFePbOF6,-5.4616859733,-2.4908229989,0.0195417926,0.0195417926,GGA+U,P-1,A6BCDE_aP20_2_6i_i_i_i_i:F-Fe-K-O-Pb,40.0,A6BCDE_aP20_2_6i_i_i_i_i:F-Fe-K-O-Pb +mp-727423,K2FeOF5,-5.0944282278,-2.2949945997,0.292260046,0.292260046,GGA+U,C2/c,A5BC2D_mC36_15_e2f_e_f_e:F-Fe-K-O,18.0,A5BC2D_mC36_15_e2f_e_f_e:F-Fe-K-O +mp-1216172,YMn2Al(BO4)2,-8.7400068164,-2.9208374765,0.0598910563,0.0598910563,GGA+U,Pc,AB2C2D8E_mP28_7_a_2a_2a_8a_a:Al-B-Mn-O-Y,28.0,AB2C2D8E_mP28_7_a_2a_2a_8a_a:Al-B-Mn-O-Y +mp-736701,P4PtIO10,-6.5831915531,-1.6666542526,0.5102901898000001,0.5102901898000001,GGA,P2_1/c,AB10C4D_mP64_14_e_10e_4e_e:I-O-P-Pt,64.0,AB10C4D_mP64_14_e_10e_4e_e:I-O-P-Pt +mp-1197900,P4PtIO10,-6.6000879741,-1.6835506735,0.4933937689,0.4933937689,GGA,P2_1/c,AB10C4D_mP64_14_e_10e_4e_e:I-O-P-Pt,64.0,AB10C4D_mP64_14_e_10e_4e_e:I-O-P-Pt +mp-24409,PH4I,-3.686853025,-0.2772575189,0.0,-0.1902838107,GGA,P4/nmm,A4BC_tP12_129_i_c_a:H-I-P,12.0,A4BC_tP12_129_i_c_a:H-I-P +mp-1204055,P4H4PtIO10,-6.3154427125,-1.703667663,0.1718792485,0.1718792485,GGA,I4/m,A4BC10D4E_tI80_87_i_e_h2i_i_e:H-I-O-P-Pt,40.0,A4BC10D4E_tI80_87_i_e_h2i_i_e:H-I-O-P-Pt +mp-1210218,P(H2I)2,-1.4010219279,1.7319694131,2.0065541038,2.0065541038,GGA,P4/nmm,A4B2C_tP28_129_k_j_d:H-I-P,28.0,A4B2C_tP28_129_k_j_d:H-I-P +mp-558390,RbGa2P5O16,-7.3305838523,-2.611823101,0.0,-0.0086802578,GGA,Pc,A2B16C5D_mP48_7_2a_16a_5a_a:Ga-O-P-Rb,48.0,"Invalid WP multiplicities - A2B16C5D_mP48_7_4a_32a_8a_a:Ga-O-P-Rb, expected RbGa4(PO4)8 to be RbGa2P5O16" +mp-1219812,Rb4Ga8P10O41,-6.9985466800000005,-2.4732424467,0.0394049142,0.0394049142,GGA,P1,A8B41C10D4_aP63_1_8a_41a_10a_4a:Ga-O-P-Rb,63.0,A8B41C10D4_aP63_1_8a_41a_10a_4a:Ga-O-P-Rb +mp-560761,RbGa3(P3O10)2,-7.3213190637,-2.6053720168,0.0027100122,0.0027100122,GGA,C222_1,A3B20C6D_oC120_20_a2b_10c_3c_a:Ga-O-P-Rb,60.0,"Invalid WP multiplicities - A3B20C6D_oC120_20_2a3b_39c_11c_a:Ga-O-P-Rb, expected RbGa5(P11O39)2 to be RbGa3(P3O10)2" +mp-863294,RbVGa(PO5)2,-7.25988471,-2.3674828239,0.1128747377,0.1128747377,GGA+U,P2_1/c,AB10C2DE_mP60_14_e_10e_2e_e_e:Ga-O-P-Rb-V,60.0,AB10C2DE_mP60_14_e_10e_2e_e_e:Ga-O-P-Rb-V +mp-1193289,AsH2SNF10,-4.746582168,-1.8777618372,0.0807899811,0.0807899811,GGA,P-1,AB10C2DE_aP30_2_ab_10i_2i_i_i:As-F-H-N-S,30.0,AB10C2DE_aP30_2_ab_10i_2i_i_i:As-F-H-N-S +mp-1228846,AsH4NF6,-4.6429079325,-1.4732919896,0.3366108113,0.3366108113,GGA,P-1,AB6C4D_aP12_2_b_3i_2i_e:As-F-H-N,12.0,"Invalid WP multiplicities - AB6C4D_aP12_2_b_6i_4i_e:As-F-H-N, expected AsH8NF12 to be AsH4NF6" +mp-1228862,AsH4NF6,-4.6491420292,-1.4795260863,0.3303767146,0.3303767146,GGA,P-1,AB6C4D_aP12_2_b_3i_2i_e:As-F-H-N,12.0,"Invalid WP multiplicities - AB6C4D_aP12_2_b_6i_4i_e:As-F-H-N, expected AsH8NF12 to be AsH4NF6" +mp-1202102,AsH6N2F5,-5.0871547877,-1.4267362618,0.0718503951,0.0718503951,GGA,Pnn2,AB5C6D2_oP56_34_c_5c_6c_2c:As-F-H-N,56.0,AB5C6D2_oP56_34_c_5c_6c_2c:As-F-H-N +mp-25401,Li2TiPO4F,-7.0216095294,-2.7077346329000003,0.2694014694,0.2694014694,GGA,P1,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-Ti,18.0,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-Ti +mp-25420,LiTiPO4F,-7.6344149456,-3.0199210453,0.0568592088,0.0568592088,GGA,P-1,ABC4DE_aP16_2_i_i_4i_i_ab:F-Li-O-P-Ti,16.0,"Invalid WP multiplicities - ABC4DE_aP16_2_i_i_6i_i_ab:F-Li-O-P-Ti, expected LiTiPO6F to be LiTiPO4F" +mp-1210889,Mn3Co4P6(HO6)4,-7.5983883898,-2.215691674,0.0023208403,0.0023208403,GGA+U,P-1,A4B4C3D24E6_aP41_2_2i_2i_ai_12i_3i:Co-H-Mn-O-P,41.0,A4B4C3D24E6_aP41_2_2i_2i_ai_12i_3i:Co-H-Mn-O-P +mp-1223740,KH4PbI3O2,-4.2274169584,-1.2540145339,0.0158448118,0.0158448118,GGA,Pna2_1,A4B3CD2E_oP44_33_4a_3a_a_2a_a:H-I-K-O-Pb,44.0,A4B3CD2E_oP44_33_4a_3a_a_2a_a:H-I-K-O-Pb +mp-1211504,KPbI3,-3.0900485395,-1.2414195261,0.01380621,0.01380621,GGA,Pnma,A3BC_oP20_62_3c_c_c:I-K-Pb,20.0,A3BC_oP20_62_3c_c_c:I-K-Pb +mp-643801,K2H6PbO6,-5.1861297673,-1.4548008672,0.0,-0.0202608163,GGA,R-3,A6B2C6D_hR45_148_f_c_f_a:H-K-O-Pb,15.0,A6B2C6D_hR45_148_f_c_f_a:H-K-O-Pb +mp-555202,KTeHOF4,-4.9058037919,-2.3759243586,0.0024633461,0.0024633461,GGA,P2_1,A4BCDE_mP16_4_4a_a_a_a_a:F-H-K-O-Te,16.0,"Invalid WP multiplicities - A4BCDE_mP16_4_7a_a_a_a_a:F-H-K-O-Te, expected KTeHOF7 to be KTeHOF4" +mp-554818,KTe3O6F,-5.60900663,-1.7788313698,0.0,-0.0111689436,GGA,R-3,ABC6D3_hR66_148_c_c_2f_f:F-K-O-Te,22.0,"Invalid WP multiplicities - ABC6D3_hR66_148_c_c_5f_f:F-K-O-Te, expected KTe3O15F to be KTe3O6F" +mp-867524,KH4O4F,-4.928193916,-1.290240222,0.0661762947,0.0661762947,GGA,Pbca,AB4CD4_oP80_61_c_4c_c_4c:F-H-K-O,80.0,"Invalid WP multiplicities - AB4CD4_oP80_61_c_13c_c_13c:F-H-K-O, expected KH13O13F to be KH4O4F" +mp-1201872,KH4O4F,-4.9555277636,-1.3175740697,0.0388424471,0.0388424471,GGA,Pbca,AB4CD4_oP80_61_c_4c_c_4c:F-H-K-O,80.0,AB4CD4_oP80_61_c_4c_c_4c:F-H-K-O +mp-612946,KTeOF3,-4.8877503058,-2.3986118968,0.107330945,0.0767225021,GGA,P2_1,A3BCD_mP12_4_3a_a_a_a:F-K-O-Te,12.0,"Invalid WP multiplicities - A3BCD_mP12_4_4a_a_a_a:F-K-O-Te, expected KTeOF4 to be KTeOF3" +mp-559932,KTeOF3,-4.9950812508,-2.5059428418,0.0,-0.0306084429,GGA,P4_2/n,A3BCD_tP48_86_3g_abc_g_g:F-K-O-Te,48.0,"Invalid WP multiplicities - A3BCD_tP48_86_14g_abc_g_g:F-K-O-Te, expected KTeOF14 to be KTeOF3" +mp-720815,K2TeH6(O3F)2,-5.0831829971,-1.5994447465,0.0927021141,0.0927021141,GGA,Pbca,A2B6C2D6E_oP68_61_c_3c_c_3c_a:F-H-K-O-Te,68.0,A2B6C2D6E_oP68_61_c_3c_c_3c_a:F-H-K-O-Te +mp-983327,KH4O2F,-5.003347815,-1.6925778754,0.0029427706,0.0029427706,GGA,Pmc2_1,AB4CD2_oP16_26_a_2ac_b_ab:F-H-K-O,16.0,"Invalid WP multiplicities - AB4CD2_oP16_26_a_4a2c_b_2a2b:F-H-K-O, expected KH8O4F to be KH4O2F" +mp-707068,KH8O4F,-5.0777526438,-1.5098639924,0.0084566712,0.0084566712,GGA,P2_1/c,AB8CD4_mP56_14_e_8e_e_4e:F-H-K-O,56.0,AB8CD4_mP56_14_e_8e_e_4e:F-H-K-O +mp-11014,K2TeOF4,-4.8528231456,-2.6082345996000003,0.0052026625,0.0052026625,GGA,Cmcm,A4B2CD_oC32_63_h_2c_c_c:F-K-O-Te,16.0,A4B2CD_oC32_63_h_2c_c_c:F-K-O-Te +mp-557231,KTeO2F,-5.3059085697,-2.0941963236,0.0,-0.0068078463,GGA,P2_1/c,ABC2D_mP60_14_3e_3e_6e_3e:F-K-O-Te,60.0,"Invalid WP multiplicities - ABC2D_mP60_14_8e_7e_22e_6e:F-K-O-Te, expected K7Te6(O11F4)2 to be KTeO2F" +mp-1211807,K2Y2(PO4)3,-7.8644193891,-3.0878976956,0.0071710088,0.0071710088,GGA,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-P-Y,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:K-O-P-Y +mp-554508,KYP2O7,-7.9542533609,-3.1333173561,0.0,-0.0090038168,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Y,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_26e_2e_e:K-O-P-Y, expected KY(PO13)2 to be KYP2O7" +mp-561141,KYP2O7,-7.944632895,-3.1236968902,0.0096204659,0.0006166491,GGA,Cmcm,AB7C2D_oC44_63_c_cfh_f_a:K-O-P-Y,22.0,"Invalid WP multiplicities - AB7C2D_oC44_63_c_2c3f6h_f_a:K-O-P-Y, expected KY(PO16)2 to be KYP2O7" +mp-18661,KY(PO3)4,-7.8360107644,-2.9143249521000003,0.0116570583,0.0116570583,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Y,36.0,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Y +mp-541495,KY(PO3)4,-7.8360672022,-2.9143813899,0.0116006205,0.0116006205,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Y,36.0,AB12C4D_mC72_15_e_6f_2f_e:K-O-P-Y +mp-532704,K2YHf(PO4)3,-8.1699084772,-3.2096647881,0.0,-0.049897795,GGA,P1,AB2C12D3E_aP152_1_8a_16a_96a_24a_8a:Hf-K-O-P-Y,152.0,AB2C12D3E_aP152_1_8a_16a_96a_24a_8a:Hf-K-O-P-Y +mp-1224574,K2YHf(PO4)3,-8.1674998703,-3.2072561812,0.0024086069,-0.0474891881,GGA,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Hf-K-O-P-Y,76.0,AB2C12D3E_cP76_198_a_2a_4b_b_a:Hf-K-O-P-Y +mp-1213728,Cs2U(N2O7)2,-7.1513775938,-1.6427187171000002,0.0051590756,0.0051590756,GGA,P2_1/c,A2B4C14D_mP42_14_e_2e_7e_a:Cs-N-O-U,42.0,A2B4C14D_mP42_14_e_2e_7e_a:Cs-N-O-U +mp-1194222,CsUPNO9,-7.7802468692,-2.3604923912,0.0311681162,0.0311681162,GGA,P-1,ABC9DE_aP26_2_i_i_9i_i_i:Cs-N-O-P-U,26.0,ABC9DE_aP26_2_i_i_9i_i_i:Cs-N-O-P-U +mp-679983,CsP4N7,-7.4073999988,-0.6653935926,0.0071837007,0.0071837007,GGA,Pnma,AB7C4_oP48_62_c_c3d_2d:Cs-N-P,48.0,AB7C4_oP48_62_c_c3d_2d:Cs-N-P +mp-5381,U2PN2,-10.442747494,-1.5089250187,0.0,-0.1071439784,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-P-U,5.0,A2BC2_hP5_164_d_a_d:N-P-U +mp-541035,CsUN3O11,-7.445272475,-1.7196554137,0.0,-0.0549382769,GGA,R-3c,AB3C11D_hR96_167_b_e_cef_a:Cs-N-O-U,32.0,AB3C11D_hR96_167_b_e_cef_a:Cs-N-O-U +mp-16108,Cs3P6N11,-7.1353106945,-0.7919373779000001,0.0,-0.179145605,GGA,P4_132,A3B11C6_cP80_213_ac_cde_e:Cs-N-P,80.0,"Invalid WP multiplicities - A3B11C6_cP80_213_ac_c2d2e_e:Cs-N-P, expected Cs3(P3N10)2 to be Cs3P6N11" +mp-1211785,KP2(HO2)4,-6.3203658222,-1.9816046335,0.0599374162,0.0599374162,GGA,P2_1/c,A4BC8D2_mP60_14_4e_e_8e_2e:H-K-O-P,60.0,A4BC8D2_mP60_14_4e_e_8e_2e:H-K-O-P +mp-1211912,KPHO3,-6.3412001771,-2.215117905,0.0437102883,0.0437102883,GGA,P-1,ABC3D_aP48_2_4i_4i_12i_4i:H-K-O-P,48.0,ABC3D_aP48_2_4i_4i_12i_4i:H-K-O-P +mp-1197171,KP2H5O8,-6.3261404309,-2.0465064387,0.0,-0.0099692519,GGA,P2_1/c,A5BC8D2_mP64_14_5e_e_8e_2e:H-K-O-P,64.0,A5BC8D2_mP64_14_5e_e_8e_2e:H-K-O-P +mp-1197975,KTbP2H4O9,-6.8223193434,-2.430409188,0.0634901565,0.0634901565,GGA,P2_1/c,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Tb,68.0,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Tb +mp-1196962,KP2(HO2)3,-6.365573296,-2.0492970991,0.0364180164,0.0364180164,GGA,P2_1/c,A3BC6D2_mP48_14_3e_e_6e_2e:H-K-O-P,48.0,A3BC6D2_mP48_14_3e_e_6e_2e:H-K-O-P +mp-721217,K2P2H2O7,-6.5424529171,-2.3532470728,0.030832496,0.030832496,GGA,P-1,A2B2C7D2_aP52_2_4i_4i_14i_4i:H-K-O-P,52.0,A2B2C7D2_aP52_2_4i_4i_14i_4i:H-K-O-P +mp-721463,K2P2H2O7,-6.5205412798,-2.3313354355,0.0527441333,0.0527441333,GGA,P-1,A2B2C7D2_aP52_2_4i_4i_14i_4i:H-K-O-P,52.0,A2B2C7D2_aP52_2_4i_4i_14i_4i:H-K-O-P +mp-723145,K2P2H2O7,-6.0877005665,-1.8984947222,0.4855848465,0.4855848465,GGA,P-1,A2B2C7D2_aP26_2_2i_2i_7i_2i:H-K-O-P,26.0,A2B2C7D2_aP26_2_2i_2i_7i_2i:H-K-O-P +mp-1445771,K2P2H2O7,-1.4300202,2.7591856443,5.1432652131,5.1432652131,GGA,P-1,A2B2C7D2_aP26_2_2i_2i_7i_2i:H-K-O-P,26.0,A2B2C7D2_aP26_2_2i_2i_7i_2i:H-K-O-P +mp-699445,K2P2H2O7,-6.529514729,-2.3403088847,0.0437706841,0.0437706841,GGA,P2_1/m,A2B2C7D2_mP78_11_2e2f_2e2f_3e9f_3f:H-K-O-P,78.0,A2B2C7D2_mP78_11_2e2f_2e2f_3e9f_3f:H-K-O-P +mp-1201935,K2P2H4O7,-6.1204580603,-2.0374495226,0.0417754667,0.0417754667,GGA,P2_1/c,A4B2C7D2_mP60_14_4e_2e_7e_2e:H-K-O-P,60.0,A4B2C7D2_mP60_14_4e_2e_7e_2e:H-K-O-P +mp-1212268,K3P2H10O7,-4.8791294874,-1.1194984291,0.3725714659,0.3725714659,GGA,P2_1/c,A10B3C7D2_mP88_14_10e_3e_7e_2e:H-K-O-P,88.0,A10B3C7D2_mP88_14_10e_3e_7e_2e:H-K-O-P +mp-721562,K2P3H5O11,-6.470287973,-2.192292189,0.0076793327,0.0076793327,GGA,C2/c,A5B2C11D3_mC168_15_5f_aef_11f_3f:H-K-O-P,84.0,A5B2C11D3_mC168_15_5f_cef_11f_3f:H-K-O-P +mp-24263,KP(HO2)2,-6.3263977166,-2.189409168,0.0028077641,-0.0177721946,GGA,P-1,A2BC4D_aP32_2_be3i_2i_8i_2i:H-K-O-P,32.0,"Invalid WP multiplicities - A2BC4D_aP32_2_be5i_2i_11i_2i:H-K-O-P, expected K2P2H6O11 to be KP(HO2)2" +mp-1198928,KP(HO2)2,-6.2958345628,-2.1588460142,0.0333709178,0.0127909591,GGA,P-1,A2BC4D_aP32_2_4i_2i_8i_2i:H-K-O-P,32.0,A2BC4D_aP32_2_4i_2i_8i_2i:H-K-O-P +mp-1181168,KP(HO2)2,-6.326631285,-2.1896427364,0.0025741956,-0.018005763,GGA,P2_1,A2BC4D_mP64_4_8a_4a_16a_4a:H-K-O-P,64.0,A2BC4D_mP64_4_8a_4a_16a_4a:H-K-O-P +mp-1223489,KP(HO2)2,-6.3238640803,-2.1868755317,0.0053414003,-0.0152385584,GGA,Pc,A2BC4D_mP32_7_4a_2a_8a_2a:H-K-O-P,32.0,"Invalid WP multiplicities - A2BC4D_mP32_7_5a_3a_12a_3a:H-K-O-P, expected K3P3H5O12 to be KP(HO2)2" +mp-757909,KP(HO2)2,-6.3253358695,-2.1883473209,0.0038696111,-0.0167103476,GGA,Cc,A2BC4D_mC128_9_8a_4a_16a_4a:H-K-O-P,64.0,"Invalid WP multiplicities - A2BC4D_mC128_9_12a_6a_21a_6a:H-K-O-P, expected K2P2H4O7 to be KP(HO2)2" +mp-699437,KP(HO2)2,-6.29498794,-2.1579993914,0.0342175406,0.013637582,GGA,P2/c,A2BC4D_mP32_13_2g_ef_4g_ef:H-K-O-P,32.0,"Invalid WP multiplicities - A2BC4D_mP32_13_5g_2ef_15g_2ef:H-K-O-P, expected K3P3(HO3)10 to be KP(HO2)2" +mp-24262,KP(HO2)2,-6.3225982812,-2.1856097327,0.0066071994,-0.0139727593,GGA,P2_1/c,A2BC4D_mP32_14_abe_e_4e_e:H-K-O-P,32.0,A2BC4D_mP32_14_ade_e_4e_e:H-K-O-P +mp-604119,KP(HO2)2,-6.2720841959,-2.1350956474,0.0571212847,0.036541326,GGA,P2_12_12_1,A2BC4D_oP32_19_2a_a_4a_a:H-K-O-P,32.0,"Invalid WP multiplicities - A2BC4D_oP32_19_4a_a_13a_a:H-K-O-P, expected KPH4O13 to be KP(HO2)2" +mp-1106168,KP(HO2)2,-6.3071864181,-2.1701978695,0.0220190625,0.0014391038,GGA,C222_1,A2BC4D_oC32_20_ab_a_2c_a:H-K-O-P,16.0,A2BC4D_oC32_20_ab_a_2c_a:H-K-O-P +mp-23959,KP(HO2)2,-6.3292054806,-2.192216932,0.0,-0.0205799587,GGA,Fdd2,A2BC4D_oF64_43_b_a_2b_a:H-K-O-P,16.0,A2BC4D_oF64_43_b_a_2b_a:H-K-O-P +mp-695799,KP(HO2)2,-6.2811048666,-2.144116318,0.0481006141,0.0275206554,GGA,I-4,A2BC4D_tI64_82_2g_g_4g_g:H-K-O-P,32.0,A2BC4D_tI64_82_2g_g_4g_g:H-K-O-P +mp-696752,KP(HO2)2,-6.3238602481,-2.1868716995,0.0053452325,-0.0152347262,GGA,I-42d,A2BC4D_tI32_122_d_a_e_b:H-K-O-P,16.0,A2BC4D_tI32_122_d_a_e_b:H-K-O-P +mp-733468,K2PHO4,-6.2485599496,-2.3968622883,0.0,-0.0302081474,GGA,Pna2_1,AB2C4D_oP96_33_3a_6a_12a_3a:H-K-O-P,96.0,AB2C4D_oP96_33_3a_6a_12a_3a:H-K-O-P +mp-1204619,K2PH4O5,-5.7158091877,-1.8876051763,0.030816521,0.030816521,GGA,Cc,A4B2C5D_mC96_9_8a_4a_10a_2a:H-K-O-P,48.0,A4B2C5D_mC96_9_8a_4a_10a_2a:H-K-O-P +mp-1195189,TbP4HO12,-7.7337635583,-2.787065408,0.0,-0.010900893,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:H-O-P-Tb,72.0,AB12C4D_mP72_14_e_12e_4e_e:H-O-P-Tb +mp-1211399,KP(HO)4,-5.157512888,-1.1693768401,0.5843967055,0.5843967055,GGA,I-42d,A4BC4D_tI40_122_e_a_e_b:H-K-O-P,20.0,A4BC4D_tI40_122_e_a_e_b:H-K-O-P +mp-642648,KP(HO)2,-5.4943457125,-1.6272572181,0.0,-0.029349026,GGA,C2/c,A2BC2D_mC24_15_f_e_f_e:H-K-O-P,12.0,A2BC2D_mC24_15_f_e_f_e:H-K-O-P +mp-696225,K3P2H7O10,-5.9786552353,-2.0071201771,0.0112869995,0.0112869995,GGA,P2_1/c,A7B3C10D2_mP88_14_7e_3e_10e_2e:H-K-O-P,88.0,A7B3C10D2_mP88_14_7e_3e_10e_2e:H-K-O-P +mp-707908,K3P3H4O11,-6.4536598542,-2.284346313,0.0266427274,0.0266427274,GGA,Pbca,A4B3C11D3_oP168_61_4c_3c_11c_3c:H-K-O-P,168.0,A4B3C11D3_oP168_61_4c_3c_11c_3c:H-K-O-P +mp-721958,K4P4(H2O5)3,-6.4240590979,-2.2636627961,0.0145615248,0.0145615248,GGA,C2/c,A6B4C15D4_mC116_15_3f_2f_e7f_2f:H-K-O-P,58.0,A6B4C15D4_mC116_15_3f_2f_e7f_2f:H-K-O-P +mp-707096,K2P3H7O9,-5.9695762505,-1.8395769109,0.0138341831,0.0138341831,GGA,P-1,A7B2C9D3_aP42_2_7i_2i_9i_3i:H-K-O-P,42.0,A7B2C9D3_aP42_2_7i_2i_9i_3i:H-K-O-P +mp-1197498,TbP2H9O11,-6.4099913313,-2.044379099,0.0250877295,0.0250877295,GGA,P2_1/c,A9B11C2D_mP92_14_9e_11e_2e_e:H-O-P-Tb,92.0,A9B11C2D_mP92_14_9e_11e_2e_e:H-O-P-Tb +mp-707172,K3P4H5O14,-6.5696027433,-2.2926150875,0.0017964854,0.0017964854,GGA,C2/c,A5B3C14D4_mC104_15_a2f_ef_7f_2f:H-K-O-P,52.0,A5B3C14D4_mC104_15_a2f_ef_7f_2f:H-K-O-P +mp-1224569,K2PH4O7,-5.7604530696000005,-1.7724655297,0.0092588559,0.0092588559,GGA,P2_1/c,A4B2C7D_mP56_14_4e_2e_7e_e:H-K-O-P,56.0,A4B2C7D_mP56_14_4e_2e_7e_e:H-K-O-P +mp-1197097,KPH3O4,-5.9566423492,-1.9023496343,0.0462876386,0.0462876386,GGA,P2_1/c,A3BC4D_mP72_14_6e_2e_8e_2e:H-K-O-P,72.0,A3BC4D_mP72_14_6e_2e_8e_2e:H-K-O-P +mp-16773,KTb(PO3)4,-7.7412561278,-2.9213539273,0.0032802711,0.0032802711,GGA,P2_1,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Tb,36.0,AB12C4D_mP36_4_a_12a_4a_a:K-O-P-Tb +mp-706521,K2PH3O5,-5.9391880137,-2.0713950963,0.0214285734,0.0214285734,GGA,P2_1/c,A3B2C5D_mP88_14_6e_4e_10e_2e:H-K-O-P,88.0,"Invalid WP multiplicities - A3B2C5D_mP88_14_23e_15e_37e_3e:H-K-O-P, expected K15P3H23O37 to be K2PH3O5" +mp-707238,KPH2O3,-5.8233348568,-1.80201776,0.1480735804,0.1480735804,GGA,P2_1/c,A2BC3D_mP56_14_4e_2e_6e_2e:H-K-O-P,56.0,A2BC3D_mP56_14_4e_2e_6e_2e:H-K-O-P +mp-1208965,SmS3(NO3)3,-6.6210283819,-1.2049271999,0.6170628483,0.6170628483,GGA,P6_3/m,A3B9C3D_hP32_176_h_hi_h_c:N-O-S-Sm,32.0,A3B9C3D_hP32_176_h_hi_h_c:N-O-S-Sm +mp-3062,Sm4S3N2,-7.4459934567,-2.1174730133,0.0,-0.0335313383,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Sm,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Sm +mp-4038,Sm3S3N,-7.1918567864,-2.2059135106,0.0007828095,0.0007828095,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-S-Sm,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_5c_3c:N-S-Sm, expected Sm3S5N to be Sm3S3N" +mp-1212363,SmW4S2NO8,-7.6341808337,-0.588305121,1.5355956041,1.5355956041,GGA+U,P2_1/c,AB8C2DE4_mP64_14_e_8e_2e_e_4e:N-O-S-Sm-W,64.0,AB8C2DE4_mP64_14_e_8e_2e_e_4e:N-O-S-Sm-W +mp-1203360,SmS2NO12,-5.7309007228,-0.6878853898,1.048575197,1.048575197,GGA,P2_1/c,AB12C2D_mP64_14_e_12e_2e_e:N-O-S-Sm,64.0,AB12C2D_mP64_14_e_12e_2e_e:N-O-S-Sm +mp-1105011,WS2(NO)2,-5.707735865,1.1204637402,2.2093315647,2.2093315647,GGA+U,C2/c,A2B2C2D_mC28_15_f_f_f_e:N-O-S-W,14.0,A2B2C2D_mC28_15_f_f_f_e:N-O-S-W +mp-997571,H6CIN,-4.778298155,-0.4010889286,0.0582861063,0.0582861063,GGA,P2_1/m,AB6CD_mP18_11_e_2e2f_e_e:C-H-I-N,18.0,"Invalid WP multiplicities - AB6CD_mP18_11_e_4e6f_e_e:C-H-I-N, expected H16CIN to be H6CIN" +mp-997570,H6CIN,-4.7785287925,-0.4013195661,0.0580554688,0.0580554688,GGA,Pbcm,AB6CD_oP36_57_d_2d2e_d_d:C-H-I-N,36.0,AB6CD_oP36_57_d_2d2e_d_d:C-H-I-N +mp-1195791,ZrH32C10IN5,-5.4099380238,-0.2557047591,0.1213626418,0.1213626418,GGA,Pbca,A10B32CD5E_oP392_61_10c_32c_c_5c_c:C-H-I-N-Zr,392.0,A10B32CD5E_oP392_61_10c_32c_c_5c_c:C-H-I-N-Zr +mp-23052,ZrIN,-7.7564445217,-1.63725722,0.0,-0.1286044303,GGA,Pmmn,ABC_oP6_59_a_a_b:I-N-Zr,6.0,ABC_oP6_59_a_a_b:I-N-Zr +mp-580886,ZrIN,-7.7272657233,-1.6080784217,0.0291787983,-0.0994256319,GGA,R-3m,ABC_hR18_166_c_c_c:I-N-Zr,6.0,ABC_hR18_166_c_c_c:I-N-Zr +mp-644101,H8C2IN,-4.9414428996,-0.3240261813,0.073500699,0.073500699,GGA,C2/m,A2B8CD_mC48_12_j_4j_i_g:C-H-I-N,24.0,A2B8CD_mC48_12_j_4j_i_g:C-H-I-N +mp-568713,H8C2I3N,-4.521504027,-0.3532373612,0.0561921405,0.0561921405,GGA,Pccn,A2B8C3D_oP56_56_e_4e_ce_d:C-H-I-N,56.0,"Invalid WP multiplicities - A2B8C3D_oP56_56_e_23e_3c4e_d:C-H-I-N, expected H46C2I11N to be H8C2I3N" +mp-722329,H12C4IN,-5.0863954153,-0.228771205,0.1069075206,0.1069075206,GGA,P4/nmm,A4B12CD_tP36_129_i_ik_c_a:C-H-I-N,36.0,A4B12CD_tP36_129_i_ik_c_a:C-H-I-N +mp-567221,H10C3IN,-5.03068409,-0.2691428765,0.0912751109,0.0912751109,GGA,P2_1/m,A3B10CD_mP30_11_ef_2e4f_e_e:C-H-I-N,30.0,"Invalid WP multiplicities - A3B10CD_mP30_11_2e3f_4e14f_e_e:C-H-I-N, expected H32C8IN to be H10C3IN" +mp-1520844,KCaYWO6,-8.092747528,-2.8706742842,0.1108619522,0.1108619522,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ca-K-O-W-Y +mp-510264,KY(WO4)2,-8.7580799125,-2.6691932283,0.0,-0.0191666625,GGA+U,C2/c,AB8C2D_mC48_15_e_4f_f_e:K-O-W-Y,24.0,AB8C2D_mC48_15_e_4f_f_e:K-O-W-Y +mp-1212211,KP4(CO2)4,-5.9783296912,-0.1399896539,1.6561091698,1.6561091698,GGA,I4_1/amd,A4BC8D4_tI68_141_h_a_2h_h:C-K-O-P,34.0,A4BC8D4_tI68_141_h_a_2h_h:C-K-O-P +mp-772777,K3SrPCO7,-6.7918943573,-2.6157805671,0.0108333767,0.0108333767,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-Sr,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-K-O-P-Sr, expected K4SrPCO13 to be K3SrPCO7" +mp-1211301,KSm(CO3)2,-7.9603319455,-2.5636871121,0.0,-0.1660390498,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Sm,20.0,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Sm +mp-772845,K2SmPCO7,-7.4525123513,-2.768497934,0.0373324085,0.0373324085,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Sm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Sm, expected K2SmPCO13 to be K2SmPCO7" +mp-723248,Re5H4(CO)20,-8.2294575909,-0.8967917913000001,0.2947525234,0.2947525234,GGA,P2_1/c,A20B4C20D5_mP196_14_20e_4e_20e_5e:C-H-O-Re,196.0,A20B4C20D5_mP196_14_20e_4e_20e_5e:C-H-O-Re +mp-1200938,Re(H3C)6,-5.1292003148,0.0262232432,0.2569111232,0.2569111232,GGA,Cc,A6B18C_mC100_9_6a_18a_a:C-H-Re,50.0,A6B18C_mC100_9_6a_18a_a:C-H-Re +mp-722571,ReH(CO)4,-8.1575800729,-0.9037130684,0.2759068216,0.2759068216,GGA,P-1,A4BC4D_aP200_2_40i_10i_40i_10i:C-H-O-Re,200.0,A4BC4D_aP200_2_40i_10i_40i_10i:C-H-O-Re +mp-1199783,ReH(CO)4,-8.1634947204,-0.9096277159,0.2699921741,0.2699921741,GGA,P2_1/c,A4BC4D_mP120_14_12e_3e_12e_3e:C-H-O-Re,120.0,A4BC4D_mP120_14_12e_3e_12e_3e:C-H-O-Re +mp-705527,ReH(CO)4,-8.1603045457,-0.9064375412,0.2731823488,0.2731823488,GGA,C2/c,A4BC4D_mC160_15_8f_2f_8f_2f:C-H-O-Re,80.0,A4BC4D_mC160_15_8f_2f_8f_2f:C-H-O-Re +mp-1205051,ReH(CO)4,-8.1600065066,-0.9061395021,0.273480388,0.273480388,GGA,P3_1,A4BC4D_hP90_144_12a_3a_12a_3a:C-H-O-Re,90.0,A4BC4D_hP90_144_12a_3a_12a_3a:C-H-O-Re +mp-643989,KHCO2,-6.294607522,-1.5695739406,0.0872457105,0.0872457105,GGA,Cmcm,ABCD2_oC20_63_c_c_a_g:C-H-K-O,10.0,ABCD2_oC20_63_c_c_a_g:C-H-K-O +mp-1212328,K4Re2H3(C4O9)2,-7.2039331631,-1.421688905,0.3527094391,0.3527094391,GGA,P-1,A8B3C4D18E2_aP70_2_8i_3i_4i_18i_2i:C-H-K-O-Re,70.0,A8B3C4D18E2_aP70_2_8i_3i_4i_18i_2i:C-H-K-O-Re +mp-23724,KHCO3,-6.6331796867,-1.8712035836,0.0152959567,-0.0479345581,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:C-H-K-O,12.0,ABCD3_aP12_2_i_i_i_3i:C-H-K-O +mp-1223474,KHCO3,-6.6478165325,-1.8858404295,0.0006591108,-0.062571404,GGA,P-1,ABCD3_aP12_2_i_i_i_3i:C-H-K-O,12.0,"Invalid WP multiplicities - ABCD3_aP12_2_i_i_i_5i:C-H-K-O, expected KHCO5 to be KHCO3" +mp-634431,KHCO3,-6.6484756433,-1.8864995403,0.0,-0.0632305148,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-H-K-O,24.0,ABCD3_mP24_14_e_e_e_3e:C-H-K-O +mp-1190956,KHCO3,-6.0845518192,-1.3225757161,0.5639238242,0.5006933094,GGA,C2/c,ABCD3_mC48_15_f_f_f_3f:C-H-K-O,24.0,ABCD3_mC48_15_f_f_f_3f:C-H-K-O +mp-1190598,K2H2C2O5,-6.4823147695,-1.7371307218,0.0449688689,0.0449688689,GGA,C2/c,A2B2C2D5_mC44_15_f_f_f_e2f:C-H-K-O,22.0,A2B2C2D5_mC44_15_f_f_f_e2f:C-H-K-O +mp-23682,KH3(CO2)2,-6.3460849577000005,-1.3928186665,0.1236972637,0.1236972637,GGA,Pbca,A2B3CD4_oP80_61_2c_3c_c_4c:C-H-K-O,80.0,A2B3CD4_oP80_61_2c_3c_c_4c:C-H-K-O +mp-643365,KH3C2O3,-6.17185725,-1.2178601166,0.1303840244,0.1303840244,GGA,P-1,A2B3CD3_aP18_2_2i_3i_i_3i:C-H-K-O,18.0,A2B3CD3_aP18_2_2i_3i_i_3i:C-H-K-O +mp-542043,K4H6C2O9,-5.9416087779,-1.7618239472,0.0,-0.0022496868,GGA,C2/c,A2B6C4D9_mC84_15_f_3f_2ef_e4f:C-H-K-O,42.0,A2B6C4D9_mC84_15_f_3f_2ef_e4f:C-H-K-O +mp-1198088,KH3CO6,-5.9058535475,-1.3424558346,0.0361950111,0.0361950111,GGA,Pbca,AB3CD6_oP88_61_c_3c_c_6c:C-H-K-O,88.0,AB3CD6_oP88_61_c_3c_c_6c:C-H-K-O +mp-1203452,KH(CO2)2,-7.0434878828,-1.7000865301,0.0467276123,0.0467276123,GGA,P2_1/c,A2BCD4_mP32_14_2e_e_e_4e:C-H-K-O,32.0,A2BCD4_mP32_14_2e_e_e_4e:C-H-K-O +mp-558330,IClOF,-3.4991725725,-0.9541549003,0.044921518,0.044921518,GGA,P2_1/c,ABCD_mP32_14_2e_2e_2e_2e:Cl-F-I-O,32.0,"Invalid WP multiplicities - ABCD_mP32_14_5e_6e_5e_4e:Cl-F-I-O, expected I5Cl5(O2F3)2 to be IClOF" +mp-676711,CIF5,-4.4232627086,-1.5290588971,0.3695184993,0.3695184993,GGA,P1,AB5C_aP28_1_4a_20a_4a:C-F-I,28.0,AB5C_aP28_1_4a_20a_4a:C-F-I +mp-1214405,C6IF7,-6.0749859698,-1.0588636786,0.3054328424,0.3054328424,GGA,P2_1/c,A6B7C_mP112_14_12e_14e_2e:C-F-I,112.0,A6B7C_mP112_14_12e_14e_2e:C-F-I +mp-554739,C3ICl(OF3)2,-5.5751024404,-1.5466293085,0.1966259393,0.1966259393,GGA,P2_1/c,A3BC6DE2_mP52_14_3e_e_6e_e_2e:C-Cl-F-I-O,52.0,"Invalid WP multiplicities - A3BC6DE2_mP52_14_9e_e_21e_e_6e:C-Cl-F-I-O, expected C9ICl(O2F7)3 to be C3ICl(OF3)2" +mp-556844,CIClF4,-4.4492191929,-1.5640071396000002,0.1351500521,0.1351500521,GGA,Cmce,ABC4D_oC56_64_f_f_2fg_f:C-Cl-F-I,28.0,"Invalid WP multiplicities - ABC4D_oC56_64_f_f_4f4g_f:C-Cl-F-I, expected CIClF12 to be CIClF4" +mp-556845,CIF3,-4.8468588175,-1.5595650685,0.0775907566,0.0775907566,GGA,Cmce,AB3C_oC40_64_f_fg_f:C-F-I,20.0,"Invalid WP multiplicities - AB3C_oC40_64_f_2f3g_f:C-F-I, expected CIF8 to be CIF3" +mp-29409,CIF7,-4.5136855139000005,-1.8378650011,0.1667328868,0.1667328868,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:C-F-I,36.0,AB7C_mP36_14_e_7e_e:C-F-I +mp-1214186,C3IF2,-6.1604308629,-0.6633774025,0.2461536115,0.2461536115,GGA,P2_1/c,A3B2C_mP24_14_3e_2e_e:C-F-I,24.0,A3B2C_mP24_14_3e_2e_e:C-F-I +mp-1200107,K3HS3O11,-6.1417420846,-2.0558060673,0.0,-0.0047477498,GGA,P2_1/c,AB3C11D3_mP72_14_e_3e_11e_3e:H-K-O-S,72.0,AB3C11D3_mP72_14_e_3e_11e_3e:H-K-O-S +mp-697284,KH3SO6,-5.6625856302,-1.5621166106,0.0254336154,0.0254336154,GGA,C2/c,A3BC6D_mC88_15_3f_f_6f_f:H-K-O-S,44.0,A3BC6D_mC88_15_3f_f_6f_f:H-K-O-S +mp-1195297,KHS2O7,-6.1734164548,-1.8640668453,0.0,-0.0126477708,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:H-K-O-S,44.0,ABC7D2_mP44_14_e_e_7e_2e:H-K-O-S +mp-1202517,K3HS3O5,-5.400380451,-1.7448207808,0.1175279334,0.1175279334,GGA,P2_1/c,AB3C5D3_mP96_14_2e_6e_10e_6e:H-K-O-S,96.0,AB3C5D3_mP96_14_2e_6e_10e_6e:H-K-O-S +mp-1224753,K5H3(S2O9)2,-5.9362726502,-1.8923936788,0.0029275176,0.0029275176,GGA,P2_1,A3B5C18D4_mP60_4_3a_5a_18a_4a:H-K-O-S,60.0,A3B5C18D4_mP60_4_3a_5a_18a_4a:H-K-O-S +mp-634676,KHS,-3.82153599,-0.9416777037,0.0,-0.15276951,GGA,P2_1/m,ABC_mP6_11_e_e_e:H-K-S,6.0,ABC_mP6_11_e_e_e:H-K-S +mp-38011,KHS,-3.8177143233,-0.937856037,0.0038216667,-0.1489478433,GGA,R3m,ABC_hR9_160_a_a_a:H-K-S,3.0,ABC_hR9_160_a_a_a:H-K-S +mp-707227,K5H3S5O14,-5.7500140378,-1.8364561059,0.0970063897,0.0970063897,GGA,C2/m,A3B5C14D5_mC108_12_3i_ac4i_4i5j_5i:H-K-O-S,54.0,A3B5C14D5_mC108_12_3i_ad4i_4i5j_5i:H-K-O-S +mp-733655,KH3(SO4)2,-5.9836096364,-1.7596820289,0.0,-0.004182256,GGA,P2_1/c,A3BC8D2_mP56_14_3e_e_8e_2e:H-K-O-S,56.0,A3BC8D2_mP56_14_3e_e_8e_2e:H-K-O-S +mp-1182578,KHSO4,-5.6721959435,-1.6112917001,0.3339783606,0.3339783606,GGA,Pbca,ABC4D_oP112_61_2c_2c_8c_2c:H-K-O-S,112.0,ABC4D_oP112_61_2c_2c_8c_2c:H-K-O-S +mp-699496,K2Cd3H10S4O21,-5.2353288956,-1.2517541449,0.4606351919,0.4606351919,GGA,P2_1/c,A3B10C2D21E4_mP160_14_3e_10e_2e_21e_4e:Cd-H-K-O-S,160.0,A3B10C2D21E4_mP160_14_3e_10e_2e_21e_4e:Cd-H-K-O-S +mp-541415,KH5S2O9,-5.8539050382,-1.6852504908,0.0,-0.0072045265,GGA,P2_1/c,A5BC9D2_mP68_14_5e_e_9e_2e:H-K-O-S,68.0,A5BC9D2_mP68_14_5e_e_9e_2e:H-K-O-S +mp-1224023,K3H(SO4)2,-6.0076793293,-2.10979845,0.0063340532,0.0021426386,GGA,C2/m,AB3C8D2_mC28_12_a_bi_2ij_i:H-K-O-S,14.0,"Invalid WP multiplicities - AB3C8D2_mC28_12_a_bi_3i2j_i:H-K-O-S, expected K3H(SO7)2 to be K3H(SO4)2" +mp-23779,K3H(SO4)2,-6.0140133825,-2.1161325032,0.0,-0.0041914146,GGA,C2/c,AB3C8D2_mC56_15_a_ef_4f_f:H-K-O-S,28.0,AB3C8D2_mC56_15_c_ef_4f_f:H-K-O-S +mp-850796,Na6V2C4SO16,-7.1618245872,-2.1169592384,0.0,-0.0048278243,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:C-Na-O-S-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_4e3g_a_d:C-Na-O-S-V, expected Na6V2C4SO52 to be Na6V2C4SO16" +mp-771954,Na2VCSO7,-7.0805232206,-2.1037821377,0.0522710716,0.0522710716,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-S-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-S-V +mp-772183,NaVCSO7,-7.3413482959,-2.0324057776,0.0829095878,0.0829095878,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-S-V,22.0,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-S-V +mp-769532,Na4V2C4SO16,-7.4075949033,-2.0870006615,0.0163394154,0.0077619761,GGA+U,F222,A4B4C16DE2_oF216_22_2k_efgh_8k_ac_k:C-Na-O-S-V,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_22_2k_2ef2g2h_12k_ac_k:C-Na-O-S-V, expected Na7V2C4SO24 to be Na4V2C4SO16" +mp-850995,Na4V2C4SO16,-7.4239343187,-2.1033400768,0.0,-0.0085774393,GGA+U,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:C-Na-O-S-V,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_21h_a_d:C-Na-O-S-V, expected Na10V2C4SO84 to be Na4V2C4SO16" +mp-757207,YH5S3O13,-6.4837070286,-1.9315977475,0.0097118342,0.0097118342,GGA,P-1,A5B13C3D_aP44_2_5i_13i_3i_i:H-O-S-Y,44.0,"Invalid WP multiplicities - A5B13C3D_aP44_2_9i_25i_5i_i:H-O-S-Y, expected YH9(SO5)5 to be YH5S3O13" +mp-744434,YNiH3SO7,-6.7682859842,-2.0615123862,0.0,-0.0179461524,GGA+U,Pnma,A3BC7DE_oP52_62_cd_a_3c2d_c_c:H-Ni-O-S-Y,52.0,A3BC7DE_oP52_62_cd_a_3c2d_c_c:H-Ni-O-S-Y +mp-1178832,YNiSO7,-6.3811318357,-1.2801439719,0.7983900382,0.7983900382,GGA+U,P2_12_12_1,AB7CD_oP40_19_a_7a_a_a:Ni-O-S-Y,40.0,AB7CD_oP40_19_a_7a_a_a:Ni-O-S-Y +mp-1201284,YNiSO7,-6.980215792,-1.8792279281,0.199306082,0.199306082,GGA+U,P2_12_12_1,AB7CD_oP40_19_a_7a_a_a:Ni-O-S-Y,40.0,AB7CD_oP40_19_a_7a_a_a:Ni-O-S-Y +mp-24656,YH3(SO4)3,-6.689029632,-2.0356473487,0.0,-0.0002622788,GGA,Pbca,A3B12C3D_oP152_61_3c_12c_3c_c:H-O-S-Y,152.0,A3B12C3D_oP152_61_3c_12c_3c_c:H-O-S-Y +mp-542271,Y2H16S3O20,-6.1929476549,-1.8378334409,0.0124614829,0.0124614829,GGA,C2/c,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Y,82.0,A16B20C3D2_mC164_15_8f_10f_ef_f:H-O-S-Y +mp-707095,YHSO5,-7.3735772927,-2.53244097,0.0029035407,0.0029035407,GGA,P2_1/c,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Y,64.0,AB5CD_mP64_14_2e_10e_2e_2e:H-O-S-Y +mp-723406,LaP3H3O10,-6.6974639809,-1.9432886943,0.6056536708,0.6056536708,GGA,P-1,A3BC10D3_aP34_2_3i_i_10i_3i:H-La-O-P,34.0,A3BC10D3_aP34_2_3i_i_10i_3i:H-La-O-P +mp-605691,La2P3H7O11,-6.7952507857,-2.2615734001,0.0799147362,0.0799147362,GGA,P-1,A7B2C11D3_aP46_2_7i_2i_11i_3i:H-La-O-P,46.0,"Invalid WP multiplicities - A7B2C11D3_aP46_2_13i_3i_22i_3i:H-La-O-P, expected La3P3H13O22 to be La2P3H7O11" +mp-1180966,La2P3H7O11,-6.8184413565,-2.2847639709,0.0567241653,0.0567241653,GGA,P-1,A7B2C11D3_aP46_2_7i_2i_11i_3i:H-La-O-P,46.0,"Invalid WP multiplicities - A7B2C11D3_aP46_2_13i_3i_22i_3i:H-La-O-P, expected La3P3H13O22 to be La2P3H7O11" +mp-756783,P4H3(WO8)2,-7.7451446976,-2.2693579775,0.0386929208,0.0386929208,GGA+U,P1,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-W,25.0,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-W +mp-1196855,La2P3(HO2)5,-7.127525207,-2.5004032536,0.0,-0.0131444418,GGA,C2/c,A5B2C10D3_mC160_15_5f_2f_10f_3f:H-La-O-P,80.0,A5B2C10D3_mC160_15_5f_2f_10f_3f:H-La-O-P +mp-1212648,LaP2H2(WO2)3,-7.479828685,-0.9725010303,1.1008159363,1.1008159363,GGA+U,P2_1/c,A2BC6D2E3_mP56_14_2e_e_6e_2e_3e:H-La-O-P-W,56.0,A2BC6D2E3_mP56_14_2e_e_6e_2e_3e:H-La-O-P-W +mp-1212220,LaP3H3WO9,-7.4073436559,-2.1819071035,0.1832985701,0.1832985701,GGA+U,P-1,A3BC9D3E_aP34_2_3i_i_9i_3i_i:H-La-O-P-W,34.0,A3BC9D3E_aP34_2_3i_i_9i_3i_i:H-La-O-P-W +mp-740930,LaP3(HO)6,-6.1394567362,-1.6886815386,0.1144556237,0.1144556237,GGA,P-1,A6BC6D3_aP32_2_6i_i_6i_3i:H-La-O-P,32.0,A6BC6D3_aP32_2_6i_i_6i_3i:H-La-O-P +mp-697701,LaP3H8O7,-6.0236677945,-1.6581654806,0.0626953962,0.0626953962,GGA,P-1,A8BC7D3_aP38_2_8i_i_7i_3i:H-La-O-P,38.0,A8BC7D3_aP38_2_8i_i_7i_3i:H-La-O-P +mp-696087,LaP2H2O9,-6.3971134696,-1.6065232832,0.8279151812000001,0.8279151812000001,GGA,P2_1/c,A2BC9D2_mP56_14_2e_e_9e_2e:H-La-O-P,56.0,A2BC9D2_mP56_14_2e_e_9e_2e:H-La-O-P +mp-1195921,La2P3(HO3)3,-7.444573845,-2.6910268882,0.0166471467,0.0166471467,GGA,Pnma,A3B2C9D3_oP68_62_cd_d_c4d_cd:H-La-O-P,68.0,A3B2C9D3_oP68_62_cd_d_c4d_cd:H-La-O-P +mp-1191281,LaP3(HO2)6,-6.8652383141,-2.2792139764,0.0444289838,0.0444289838,GGA,P-6,A6BC12D3_hP22_174_l_a_jkl_k:H-La-O-P,22.0,A6BC12D3_hP22_174_l_a_jkl_k:H-La-O-P +mp-1201866,H2C4(OF2)3,-6.2588403705,-1.5915701039,0.1416609031,0.1416609031,GGA,P2_12_12_1,A4B6C2D3_oP60_19_4a_6a_2a_3a:C-F-H-O,60.0,A4B6C2D3_oP60_19_4a_6a_2a_3a:C-F-H-O +mp-1203046,H3C6SeO3F5,-6.2169321758,-1.0256242014,0.3132675565,0.3132675565,GGA,P-1,A6B5C3D3E_aP36_2_6i_5i_3i_3i_i:C-F-H-O-Se,36.0,A6B5C3D3E_aP36_2_6i_5i_3i_3i_i:C-F-H-O-Se +mp-1192496,H3CO2F,-5.8177756236,-1.3589613354,0.1193719895,0.1193719895,GGA,Pnma,ABC3D2_oP28_62_c_c_3c_2c:C-F-H-O,28.0,ABC3D2_oP28_62_c_c_3c_2c:C-F-H-O +mp-583606,H9C2(NO)3,-5.6629190034,-0.4369533387,0.4176052904,0.4176052904,GGA,Pna2_1,A2B9C3D3_oP68_33_2a_9a_3a_3a:C-H-N-O,68.0,"Invalid WP multiplicities - A2B9C3D3_oP68_33_2a_33a_7a_11a:C-H-N-O, expected H33C2N7O11 to be H9C2(NO)3" +mp-1199386,H9C2(N3O2)3,-6.3028558413,-0.3912999959,0.46847279,0.46847279,GGA,P-1,A2B9C9D6_aP52_2_2i_9i_9i_6i:C-H-N-O,52.0,A2B9C9D6_aP52_2_2i_9i_9i_6i:C-H-N-O +mp-601210,H5C2NO4,-6.3923013731000005,-1.0969504581,0.0894272574,0.0894272574,GGA,P2_1/c,A2B5CD4_mP48_14_2e_5e_e_4e:C-H-N-O,48.0,"Invalid WP multiplicities - A2B5CD4_mP48_14_4e_18e_e_13e:C-H-N-O, expected H18C4NO13 to be H5C2NO4" +mp-1212539,H6C(N3O)2,-6.3056582623,-0.3391670133,0.3064995065,0.3064995065,GGA,C2/c,AB6C6D2_mC120_15_f_6f_6f_2f:C-H-N-O,60.0,AB6C6D2_mC120_15_f_6f_6f_2f:C-H-N-O +mp-1212515,H2C3N2O3,-7.5198535827,-0.9214031276,0.0876899787,0.0876899787,GGA,P2_1/c,A3B2C2D3_mP40_14_3e_2e_2e_3e:C-H-N-O,40.0,A3B2C2D3_mP40_14_3e_2e_2e_3e:C-H-N-O +mp-707543,H6C(N3O2)2,-6.3795905434,-0.5330760635,0.3268791015,0.3268791015,GGA,P-1,AB6C6D4_aP68_2_2i_12i_12i_8i:C-H-N-O,68.0,AB6C6D4_aP68_2_2i_12i_12i_8i:C-H-N-O +mp-1212613,H10C2N12O5,-6.5566365903,-0.4478098975,0.2621028358,0.2621028358,GGA,C2/c,A2B10C12D5_mC116_15_f_5f_6f_e2f:C-H-N-O,58.0,A2B10C12D5_mC116_15_f_5f_6f_e2f:C-H-N-O +mp-708965,H8C3(NO)4,-5.9308166916000005,-0.2486830399,0.6523913266,0.6523913266,GGA,P2_1/c,A3B8C4D4_mP76_14_3e_8e_4e_4e:C-H-N-O,76.0,A3B8C4D4_mP76_14_3e_8e_4e_4e:C-H-N-O +mp-1225208,H12C4N2O9,-6.2799081322,-1.1384058077,0.0586026083,0.0586026083,GGA,P2_1/c,A4B12C2D9_mP108_14_4e_12e_2e_9e:C-H-N-O,108.0,"Invalid WP multiplicities - A4B12C2D9_mP108_14_8e_20e_2e_17e:C-H-N-O, expected H20C8N2O17 to be H12C4N2O9" +mp-720869,H12C4N2O9,-6.2788891052,-1.1373867807,0.0596216354,0.0596216354,GGA,Pnma,A4B12C2D9_oP108_62_2d_4c4d_2c_c4d:C-H-N-O,108.0,A4B12C2D9_oP108_62_2d_4c4d_2c_c4d:C-H-N-O +mp-1212522,H5C2(NO)3,-6.4397070754,-0.6496676816,0.2769180829,0.2769180829,GGA,Cc,A2B5C3D3_mC52_9_2a_5a_3a_3a:C-H-N-O,26.0,A2B5C3D3_mC52_9_2a_5a_3a_3a:C-H-N-O +mp-1212560,H5CN7O2,-6.5672160878,-0.2711402468,0.329289925,0.329289925,GGA,P2_1/c,AB5C7D2_mP60_14_e_5e_7e_2e:C-H-N-O,60.0,AB5C7D2_mP60_14_e_5e_7e_2e:C-H-N-O +mp-738670,H5C2NO3,-6.2482292041,-0.9211817251,0.1316379739,0.1316379739,GGA,C2/c,A2B5CD3_mC176_15_4f_10f_2f_6f:C-H-N-O,88.0,A2B5CD3_mC176_15_4f_10f_2f_6f:C-H-N-O +mp-1203308,H19C6N7O4,-6.1065389978,-0.6072054664000001,0.0480529873,0.0480529873,GGA,P-1,A6B19C7D4_aP72_2_6i_19i_7i_4i:C-H-N-O,72.0,A6B19C7D4_aP72_2_6i_19i_7i_4i:C-H-N-O +mp-1196548,H9C8NO9,-6.7135105625,-0.8905271673,0.2167100328,0.2167100328,GGA,C2/c,A8B9CD9_mC216_15_8f_9f_f_9f:C-H-N-O,108.0,A8B9CD9_mC216_15_8f_9f_f_9f:C-H-N-O +mp-560323,H11C4NO10,-6.3224690317,-1.2440832432,0.0536693131,0.0536693131,GGA,P-1,A4B11CD10_aP52_2_4i_11i_i_10i:C-H-N-O,52.0,"Invalid WP multiplicities - A4B11CD10_aP52_2_8i_22i_i_18i:C-H-N-O, expected H22C8NO18 to be H11C4NO10" +mp-1199577,H7C7(NO2)3,-6.9036578477,-0.6845553344,0.2577032635,0.2577032635,GGA,Pbca,A7B7C3D6_oP184_61_7c_7c_3c_6c:C-H-N-O,184.0,A7B7C3D6_oP184_61_7c_7c_3c_6c:C-H-N-O +mp-1212645,H6CN8O5,-6.402528301,-0.3520070651,0.4904688339,0.4904688339,GGA,P2_1/m,AB6C8D5_mP40_11_e_6e_8e_5e:C-H-N-O,40.0,AB6C8D5_mP40_11_e_6e_8e_5e:C-H-N-O +mp-720526,H4CN2O,-6.128437275,-0.5760312458,0.1340132625,0.1287782927,GGA,P4_12_12,AB4C2D_tP96_92_ab_6b_3b_ab:C-H-N-O,96.0,AB4C2D_tP96_92_ab_6b_3b_ab:C-H-N-O +mp-1181700,H4CN2O,-6.181185584,-0.6287795547,0.0812649535,0.0760299837,GGA,P4_12_12,AB4C2D_tP96_92_ab_6b_3b_ab:C-H-N-O,96.0,AB4C2D_tP96_92_ab_6b_3b_ab:C-H-N-O +mp-976707,H4CN2O,-6.2390510463,-0.686645017,0.0233994912,0.0181645214,GGA,P-42_1m,AB4C2D_tP16_113_c_2e_e_c:C-H-N-O,16.0,"Invalid WP multiplicities - AB4C2D_tP16_113_c_4e_e_c:C-H-N-O, expected H8CN2O to be H4CN2O" +mp-23778,H4CN2O,-6.2624505375,-0.7100445083,0.0,-0.0052349698,GGA,P-42_1m,AB4C2D_tP16_113_c_2e_e_c:C-H-N-O,16.0,AB4C2D_tP16_113_c_2e_e_c:C-H-N-O +mp-557825,H4CN2O,-6.2127846131,-0.6603785839,0.0496659244,0.0444309545,GGA,P4/nmm,AB4C2D_tP16_129_c_i_ac_c:C-H-N-O,16.0,AB4C2D_tP16_129_c_i_ac_c:C-H-N-O +mp-707535,H4C(N2O)2,-6.4805306734,-0.4769918739,0.2800906131,0.2800906131,GGA,P-1,AB4C4D2_aP44_2_2i_8i_8i_4i:C-H-N-O,44.0,AB4C4D2_aP44_2_2i_8i_8i_4i:C-H-N-O +mp-1181584,H4C(N2O)2,-6.4782979045,-0.474759105,0.2823233819,0.2823233819,GGA,Fdd2,AB4C4D2_oF176_43_b_4b_4b_2b:C-H-N-O,44.0,AB4C4D2_oF176_43_b_4b_4b_2b:C-H-N-O +mp-1204989,H4C(N2O)2,-6.1668499136,-0.1633111141,0.5937713729,0.5937713729,GGA,Fdd2,AB4C4D2_oF176_43_b_4b_4b_2b:C-H-N-O,44.0,AB4C4D2_oF176_43_b_4b_4b_2b:C-H-N-O +mp-1196435,H6C2(NO)3,-6.3954320968000005,-0.7766293708,0.132239212,0.132239212,GGA,P2_1/c,A2B6C3D3_mP56_14_2e_6e_3e_3e:C-H-N-O,56.0,A2B6C3D3_mP56_14_2e_6e_3e_3e:C-H-N-O +mp-997581,H6C6NO,-6.5523736604,-0.1944070274,0.2250708854,0.2250708854,GGA,P1,A6B6CD_aP28_1_12a_12a_2a_2a:C-H-N-O,28.0,A6B6CD_aP28_1_12a_12a_2a_2a:C-H-N-O +mp-1212629,H11C2N11O3,-6.3312195031,-0.3194110665,0.2705492715,0.2705492715,GGA,P-1,A2B11C11D3_aP54_2_2i_11i_11i_3i:C-H-N-O,54.0,A2B11C11D3_aP54_2_2i_11i_11i_3i:C-H-N-O +mp-1203544,H6C3(NO)2,-6.337065685,-0.5979333758,0.1470664548,0.1470664548,GGA,P2_1/c,A3B6C2D2_mP52_14_3e_6e_2e_2e:C-H-N-O,52.0,A3B6C2D2_mP52_14_3e_6e_2e_2e:C-H-N-O +mp-643099,H6CN4O3,-5.5942812536,-0.0392049967,0.8344424613,0.8344424613,GGA,Cm,AB6C4D3_mC28_8_a_3b_2ab_ab:C-H-N-O,14.0,AB6C4D3_mC28_8_a_3b_2ab_ab:C-H-N-O +mp-601178,H6C2NO,-5.5045991842,-0.2949120951,0.2923569828,0.2923569828,GGA,Pmmn,A2B6CD_oP40_59_ef_ef2g_ab_e:C-H-N-O,40.0,"Invalid WP multiplicities - A2B6CD_oP40_59_2e3f_4e3f14g_2ab_e:C-H-N-O, expected H70C10N3O2 to be H6C2NO" +mp-1197026,H5CN5O6,-6.1681782013,-0.4296545184,0.5428521618000001,0.5428521618000001,GGA,P2_1/c,AB5C5D6_mP68_14_e_5e_5e_6e:C-H-N-O,68.0,AB5C5D6_mP68_14_e_5e_5e_6e:C-H-N-O +mp-1197497,H5CN5O6,-6.1701548818,-0.4316311988,0.5408754814,0.5408754814,GGA,P2_1/c,AB5C5D6_mP136_14_2e_10e_10e_12e:C-H-N-O,136.0,AB5C5D6_mP136_14_2e_10e_10e_12e:C-H-N-O +mp-1203534,H3CN5O4,-6.587149634,-0.3659132419,0.5275996113,0.5275996113,GGA,P2_12_12_1,AB3C5D4_oP52_19_a_3a_5a_4a:C-H-N-O,52.0,AB3C5D4_oP52_19_a_3a_5a_4a:C-H-N-O +mp-1190987,HCN3O,-7.3271405633,-0.230879726,0.3887382044,0.3887382044,GGA,Pc,ABC3D_mP24_7_2a_2a_6a_2a:C-H-N-O,24.0,ABC3D_mP24_7_2a_2a_6a_2a:C-H-N-O +mp-698362,H22IrC3(N3O4)2,-5.9049431412,-0.8860210691,0.0326618688,0.0326618688,GGA,Pnnm,A3B22CD6E8_oP160_58_gh_2g10h_ab_2g2h_2g3h:C-H-Ir-N-O,160.0,A3B22CD6E8_oP160_58_gh_2g10h_ab_2g2h_2g3h:C-H-Ir-N-O +mp-774616,H5C3N5O,-6.9571353393,-0.4372217651,0.0622252433,0.0622252433,GGA,P2_1/c,A3B5C5D_mP56_14_3e_5e_5e_e:C-H-N-O,56.0,"Invalid WP multiplicities - A3B5C5D_mP56_14_9e_17e_17e_e:C-H-N-O, expected H17C9N17O to be H5C3N5O" +mp-1196253,H9CN7O3,-6.0462758979,-0.3983393726,0.3066945386,0.3066945386,GGA,Pbcm,AB9C7D3_oP80_57_d_3d3e_7d_de:C-H-N-O,80.0,AB9C7D3_oP80_57_d_3d3e_7d_de:C-H-N-O +mp-23668,H9C4NO4,-6.0752505211,-0.7656701797000001,0.1443845471,0.1443845471,GGA,P2_1/c,A4B9CD4_mP72_14_4e_9e_e_4e:C-H-N-O,72.0,"Invalid WP multiplicities - A4B9CD4_mP72_14_5e_12e_e_4e:C-H-N-O, expected H12C5NO4 to be H9C4NO4" +mp-1213515,H5CN9O4,-6.6919736665,-0.3231576198,0.4037527413,0.4037527413,GGA,P2_1/c,AB5C9D4_mP152_14_2e_10e_18e_8e:C-H-N-O,152.0,AB5C9D4_mP152_14_2e_10e_18e_8e:C-H-N-O +mp-1224588,H3CNO2,-6.3140220804,-0.9373483696,0.1554176498,0.1554176498,GGA,P2_1,AB3CD2_mP28_4_2a_6a_2a_4a:C-H-N-O,28.0,AB3CD2_mP28_4_2a_6a_2a_4a:C-H-N-O +mp-721707,H6C3N4O3,-6.8219189045,-0.8076439932,0.0120917088,0.0120917088,GGA,C2/c,A3B6C4D3_mC128_15_3f_6f_4f_3f:C-H-N-O,64.0,A3B6C4D3_mC128_15_3f_6f_4f_3f:C-H-N-O +mp-1201609,H10CN2O5,-5.6541598771,-0.9562510244,0.1506038942,0.1506038942,GGA,P2/c,AB10C2D5_mP72_13_ef_10g_2g_ef4g:C-H-N-O,72.0,AB10C2D5_mP72_13_ef_10g_2g_ef4g:C-H-N-O +mp-707289,H5C8NO2,-7.1670835406,-0.3531568836,0.1898844264,0.1898844264,GGA,P2_1/c,A8B5CD2_mP64_14_8e_5e_e_2e:C-H-N-O,64.0,A8B5CD2_mP64_14_8e_5e_e_2e:C-H-N-O +mp-556451,H14C5(NO)2,-5.6604635628,-0.4340348948,0.104283749,0.104283749,GGA,P2_1/c,A5B14C2D2_mP92_14_5e_14e_2e_2e:C-H-N-O,92.0,"Invalid WP multiplicities - A5B14C2D2_mP92_14_17e_56e_5e_3e:C-H-N-O, expected H56C17N5O3 to be H14C5(NO)2" +mp-998880,H9C8NO2,-6.4860466701,-0.3563601355,0.1454811877,0.1454811877,GGA,P2_1/c,A8B9CD2_mP80_14_8e_9e_e_2e:C-H-N-O,80.0,A8B9CD2_mP80_14_8e_9e_e_2e:C-H-N-O +mp-1201465,H4CN4O3,-6.3589541422,-0.4434861833,0.4542701287,0.4542701287,GGA,P2_1/c,AB4C4D3_mP96_14_2e_8e_8e_6e:C-H-N-O,96.0,AB4C4D3_mP96_14_2e_8e_8e_6e:C-H-N-O +mp-1212807,H4CN5O,-6.5583491818,-0.246646181,0.269749825,0.269749825,GGA,P2_1,AB4C5D_mP88_4_4a_16a_20a_4a:C-H-N-O,88.0,AB4C5D_mP88_4_4a_16a_20a_4a:C-H-N-O +mp-1200580,H14C2N8O5,-6.0646787086,-0.6377511717000001,0.1628059889,0.1628059889,GGA,Fdd2,A2B14C8D5_oF232_43_b_7b_4b_a2b:C-H-N-O,58.0,A2B14C8D5_oF232_43_b_7b_4b_a2b:C-H-N-O +mp-1203509,H12C2N14O,-6.4514087536,-0.215972161,0.1513989581,0.1513989581,GGA,P2/c,A2B12C14D_mP58_13_g_6g_7g_e:C-H-N-O,58.0,A2B12C14D_mP58_13_g_6g_7g_e:C-H-N-O +mp-707727,H2C2N2O,-7.1189718275,-0.4243344509,0.2237148658,0.2237148658,GGA,Pnma,A2B2C2D_oP28_62_2c_2c_2c_c:C-H-N-O,28.0,A2B2C2D_oP28_62_2c_2c_2c_c:C-H-N-O +mp-1197148,H8C2N6O7,-6.3206067215,-0.6577836835,0.3759742148,0.3759742148,GGA,C2/c,A2B8C6D7_mC92_15_2e_4f_2e2f_e3f:C-H-N-O,46.0,A2B8C6D7_mC92_15_2e_4f_2e2f_e3f:C-H-N-O +mp-1237806,H8C2N6O7,-6.3188295324,-0.6560064944,0.3777514039,0.3777514039,GGA,C2/c,A2B8C6D7_mC92_15_2e_4f_2e2f_e3f:C-H-N-O,46.0,A2B8C6D7_mC92_15_2e_4f_2e2f_e3f:C-H-N-O +mp-758097,H6C2N4O,-6.4392727794,-0.5080146512,0.0513938783,0.0513938783,GGA,P2_1/c,A2B6C4D_mP52_14_2e_6e_4e_e:C-H-N-O,52.0,"Invalid WP multiplicities - A2B6C4D_mP52_14_3e_21e_11e_e:C-H-N-O, expected H21C3N11O to be H6C2N4O" +mp-1212551,H4CN4O,-6.5472744167,-0.4380506084,0.1299849982,0.1299849982,GGA,P-1,AB4C4D_aP40_2_2i_8i_8i_2i:C-H-N-O,40.0,AB4C4D_aP40_2_2i_8i_8i_2i:C-H-N-O +mp-1237215,H4CN4O,-6.5434835787,-0.4342597704,0.1337758362,0.1337758362,GGA,P-1,AB4C4D_aP40_2_2i_8i_8i_2i:C-H-N-O,40.0,AB4C4D_aP40_2_2i_8i_8i_2i:C-H-N-O +mp-559139,H8C3N2O,-5.884597558,-0.4240630296,0.093468609,0.093468609,GGA,P2_1/c,A3B8C2D_mP56_14_3e_8e_2e_e:C-H-N-O,56.0,"Invalid WP multiplicities - A3B8C2D_mP56_14_11e_30e_5e_e:C-H-N-O, expected H30C11N5O to be H8C3N2O" +mp-644330,H8C3N2O,-5.640548615,-0.1800140865,0.3375175521,0.3375175521,GGA,Fdd2,A3B8C2D_oF112_43_ab_4b_b_a:C-H-N-O,28.0,A3B8C2D_oF112_43_ab_4b_b_a:C-H-N-O +mp-1181376,H8C3N2O,-5.9045948975,-0.444060369,0.0734712696,0.0734712696,GGA,Fdd2,A3B8C2D_oF112_43_ab_4b_b_a:C-H-N-O,28.0,A3B8C2D_oF112_43_ab_4b_b_a:C-H-N-O +mp-697242,H5C2NO,-5.9715502478,-0.5599785982000001,0.0572121968,0.0572121968,GGA,R3c,A2B5CD_hR162_161_2b_5b_b_b:C-H-N-O,54.0,A2B5CD_hR162_161_2b_5b_b_b:C-H-N-O +mp-1212710,H7C2N9O2,-6.6494323854,-0.293020133,0.2423046656,0.2423046656,GGA,P2_1/c,A2B7C9D2_mP80_14_2e_7e_9e_2e:C-H-N-O,80.0,A2B7C9D2_mP80_14_2e_7e_9e_2e:C-H-N-O +mp-733610,H7C3N3O5,-6.6485733078,-1.027572912,0.0288955244,0.0288955244,GGA,C2/c,A3B7C3D5_mC72_15_ef_e3f_ef_e2f:C-H-N-O,36.0,A3B7C3D5_mC72_15_ef_e3f_ef_e2f:C-H-N-O +mp-1195402,H10C5NO6,-6.2455662791,-0.8779655925000001,0.1458607616,0.1458607616,GGA,P-1,A5B10CD6_aP44_2_5i_10i_i_6i:C-H-N-O,44.0,A5B10CD6_aP44_2_5i_10i_i_6i:C-H-N-O +mp-1212506,HC2(NO2)2,-6.2380697489,0.2407971094,1.5076312247,1.5076312247,GGA,P2_12_12,A2BC2D4_oP18_18_c_a_c_2c:C-H-N-O,18.0,A2BC2D4_oP18_18_c_a_c_2c:C-H-N-O +mp-1212581,H12CN10O3,-6.0898149945,-0.3918767862,0.2159420682,0.2159420682,GGA,P2_12_12_1,AB12C10D3_oP104_19_a_12a_10a_3a:C-H-N-O,104.0,AB12C10D3_oP104_19_a_12a_10a_3a:C-H-N-O +mp-696658,H6CN2O3,-5.8716202875,-0.7801138086,0.239141559,0.239141559,GGA,Pbcn,AB6C2D3_oP48_60_c_3d_d_cd:C-H-N-O,48.0,AB6C2D3_oP48_60_c_3d_d_cd:C-H-N-O +mp-557263,H6CN2O3,-5.7333690571,-0.6418625782,0.3773927894,0.3773927894,GGA,Pnma,AB6C2D3_oP48_62_c_2c2d_2c_cd:C-H-N-O,48.0,"Invalid WP multiplicities - AB6C2D3_oP48_62_c_8c10d_6c_3c3d:C-H-N-O, expected H28C(N2O3)3 to be H6CN2O3" +mp-707917,H9C2N11O8,-6.5218938113,-0.5129998362,0.3808219231,0.3808219231,GGA,C2/c,A2B9C11D8_mC120_15_f_e4f_e5f_4f:C-H-N-O,60.0,A2B9C11D8_mC120_15_f_e4f_e5f_4f:C-H-N-O +mp-734137,H9C2N7O6,-6.3738006641,-0.6643230752,0.2670974428,0.2670974428,GGA,Pca2_1,A2B9C7D6_oP96_29_2a_9a_7a_6a:C-H-N-O,96.0,A2B9C7D6_oP96_29_2a_9a_7a_6a:C-H-N-O +mp-556151,H9C3N3O2,-6.0668424334,-0.5889957816,0.0801644291,0.0801644291,GGA,P2_12_12_1,A3B9C3D2_oP68_19_3a_9a_3a_2a:C-H-N-O,68.0,"Invalid WP multiplicities - A3B9C3D2_oP68_19_8a_34a_9a_3a:C-H-N-O, expected H34C8(N3O)3 to be H9C3N3O2" +mp-558863,H9C5NO5,-6.1824585208,-0.6950685033,0.2685985372,0.2685985372,GGA,P2_1/c,A5B9CD5_mP80_14_5e_9e_e_5e:C-H-N-O,80.0,"Invalid WP multiplicities - A5B9CD5_mP80_14_16e_34e_e_18e:C-H-N-O, expected H34C16NO18 to be H9C5NO5" +mp-1212577,H4C(N2O)4,-6.6356804109,-0.2075460628,0.5573572265,0.5573572265,GGA,Pc,AB4C8D4_mP34_7_a_4a_8a_4a:C-H-N-O,34.0,AB4C8D4_mP34_7_a_4a_8a_4a:C-H-N-O +mp-555229,H5CNO2,-5.8520184644,-0.9162220128,0.0491847606,0.0491847606,GGA,Pc,AB5CD2_mP18_7_a_5a_a_2a:C-H-N-O,18.0,"Invalid WP multiplicities - AB5CD2_mP18_7_a_10a_a_2a:C-H-N-O, expected H10CNO2 to be H5CNO2" +mp-1200776,H7C2N7O6,-6.423255825,-0.5031644594,0.4394814744,0.4394814744,GGA,P-1,A2B7C7D6_aP44_2_2i_7i_7i_6i:C-H-N-O,44.0,A2B7C7D6_aP44_2_2i_7i_7i_6i:C-H-N-O +mp-1237354,H7C2N7O6,-6.4197941684,-0.4997028028,0.442943131,0.442943131,GGA,P-1,A2B7C7D6_aP44_2_2i_7i_7i_6i:C-H-N-O,44.0,A2B7C7D6_aP44_2_2i_7i_7i_6i:C-H-N-O +mp-1212999,H6C(NO)2,-5.9851260757,-0.8804543452,0.0,-0.0144072427,GGA,Pbca,AB6C2D2_oP88_61_c_6c_2c_2c:C-H-N-O,88.0,AB6C2D2_oP88_61_c_6c_2c_2c:C-H-N-O +mp-1203058,H6C(NO)2,-5.9811143807,-0.8764426502,0.004011695,-0.0103955477,GGA,Ibam,AB6C2D2_oI88_72_j_2j2k_fj_2j:C-H-N-O,44.0,AB6C2D2_oI88_72_j_2j2k_fj_2j:C-H-N-O +mp-24207,H6CN4O,-6.0658977481,-0.409423567,0.1578686488,0.1578686488,GGA,P2_1/c,AB6C4D_mP48_14_e_6e_4e_e:C-H-N-O,48.0,"Invalid WP multiplicities - AB6C4D_mP48_14_e_9e_9e_e:C-H-N-O, expected H9CN9O to be H6CN4O" +mp-1212804,H7C4(N3O2)3,-6.8523417162,-0.4918674516,0.3525439326,0.3525439326,GGA,P2_1,A4B7C9D6_mP104_4_8a_14a_18a_12a:C-H-N-O,104.0,A4B7C9D6_mP104_4_8a_14a_18a_12a:C-H-N-O +mp-1212918,H7C4(N3O2)3,-6.8484914842,-0.4880172197,0.3563941645,0.3563941645,GGA,P2_1/c,A4B7C9D6_mP104_14_4e_7e_9e_6e:C-H-N-O,104.0,A4B7C9D6_mP104_14_4e_7e_9e_6e:C-H-N-O +mp-766262,H20C3(N2O5)2,-5.9094481246,-1.0890863897,0.0065718616,0.0065718616,GGA,Fmm2,A3B20C4D10_oF148_42_ac_2c4e_e_2a4c:C-H-N-O,37.0,"Invalid WP multiplicities - A3B20C4D10_oF148_42_ac_4c9e_e_2a8c:C-H-N-O, expected H44C3(N2O9)2 to be H20C3(N2O5)2" +mp-560961,H11C10NO8,-6.5988336043,-0.6816120698,0.2660724191,0.2660724191,GGA,Pccn,A10B11CD8_oP120_56_5e_c5e_d_4e:C-H-N-O,120.0,"Invalid WP multiplicities - A10B11CD8_oP120_56_31e_3c30e_d_28e:C-H-N-O, expected H63C62NO56 to be H11C10NO8" +mp-24230,HCNO,-7.3970991883,-0.9209553949,0.0084715008,-0.0382861817,GGA,C2/c,ABCD_mC48_15_ef_ef_ef_ef:C-H-N-O,24.0,"Invalid WP multiplicities - ABCD_mC48_15_e2f_2e2f_e2f_ef:C-H-N-O, expected H6C5N5O3 to be HCNO" +mp-1190216,HCNO,-7.4055706892,-0.9294268957,0.0,-0.0467576825,GGA,C2/c,ABCD_mC48_15_ef_ef_ef_ef:C-H-N-O,24.0,ABCD_mC48_15_ef_ef_ef_ef:C-H-N-O +mp-24232,H5CN3O4,-6.3077061181000005,-0.8470495537,0.2153578972,0.2153578972,GGA,P2_1/c,AB5C3D4_mP52_14_e_5e_3e_4e:C-H-N-O,52.0,"Invalid WP multiplicities - AB5C3D4_mP52_14_e_9e_6e_8e:C-H-N-O, expected H9C(N3O4)2 to be H5CN3O4" +mp-542782,H8C3(NO)3,-6.29845779,-0.7292015696,0.092274962,0.092274962,GGA,P2_1/c,A3B8C3D3_mP68_14_3e_8e_3e_3e:C-H-N-O,68.0,A3B8C3D3_mP68_14_3e_8e_3e_3e:C-H-N-O +mp-1200465,H2C(NO)2,-6.6163063989,-0.5333799911,0.4480369645,0.4480369645,GGA,P2_12_12_1,AB2C2D2_oP56_19_2a_4a_4a_4a:C-H-N-O,56.0,AB2C2D2_oP56_19_2a_4a_4a_4a:C-H-N-O +mp-1203136,H6CN6O5,-6.22001753,-0.4234933706,0.5125909615,0.5125909615,GGA,Pc,AB6C6D5_mP36_7_a_6a_6a_5a:C-H-N-O,36.0,AB6C6D5_mP36_7_a_6a_6a_5a:C-H-N-O +mp-1212607,H4C(N3O)2,-6.7188832373,-0.3564281108,0.2841801474,0.2841801474,GGA,P2_1/c,AB4C6D2_mP52_14_e_4e_6e_2e:C-H-N-O,52.0,AB4C6D2_mP52_14_e_4e_6e_2e:C-H-N-O +mp-1189886,H4C2NO2,-6.3334330089,-0.7491988408,0.1632186918,0.1632186918,GGA,C2/m,A2B4CD2_mC36_12_2i_2j_g_j:C-H-N-O,18.0,A2B4CD2_mC36_12_2i_2j_g_j:C-H-N-O +mp-554659,H12C5N2O,-5.6935432778,-0.2697573496,0.1561095223,0.1561095223,GGA,Pmn2_1,A5B12C2D_oP40_31_3ab_2a5b_2a_a:C-H-N-O,40.0,"Invalid WP multiplicities - A5B12C2D_oP40_31_5a2b_4a16b_3a_a:C-H-N-O, expected H36C9N3O to be H12C5N2O" +mp-557248,H7C(NO)3,-5.721642742,-0.5196928337,0.4003866046,0.4003866046,GGA,P2_1/c,AB7C3D3_mP56_14_e_7e_3e_3e:C-H-N-O,56.0,"Invalid WP multiplicities - AB7C3D3_mP56_14_e_26e_8e_9e:C-H-N-O, expected H26CN8O9 to be H7C(NO)3" +mp-1212532,H3CN4O,-6.7610653408,-0.3500084476,0.2084515418,0.2084515418,GGA,C2/c,AB3C4D_mC72_15_2e_3f_2e3f_f:C-H-N-O,36.0,AB3C4D_mC72_15_2e_3f_2e3f_f:C-H-N-O +mp-697408,H10C2N2O5,-5.976061695,-1.0396919665,0.0271331729,0.0271331729,GGA,P2_12_12,A2B10C2D5_oP38_18_c_5c_c_a2c:C-H-N-O,38.0,A2B10C2D5_oP38_18_c_5c_c_a2c:C-H-N-O +mp-560121,H5CNO3,-6.0949873465,-1.1581016689,0.0,-0.0170984983,GGA,Pccn,AB5CD3_oP80_56_e_5e_e_3e:C-H-N-O,80.0,"Invalid WP multiplicities - AB5CD3_oP80_56_e_32e_e_20e:C-H-N-O, expected H32CNO20 to be H5CNO3" +mp-1196452,H6C(NO)4,-6.0278546217,-0.5133375345,0.4612783192,0.4612783192,GGA,P2_1/c,AB6C4D4_mP60_14_e_6e_4e_4e:C-H-N-O,60.0,AB6C4D4_mP60_14_e_6e_4e_4e:C-H-N-O +mp-734124,H8C2(N2O)3,-6.3726135309,-0.5590253715,0.1808126044,0.1808126044,GGA,P2_1/c,A2B8C6D3_mP76_14_2e_8e_6e_3e:C-H-N-O,76.0,A2B8C6D3_mP76_14_2e_8e_6e_3e:C-H-N-O +mp-1212762,H9C2N11O2,-6.4791941932,-0.2047489021,0.292096406,0.292096406,GGA,P2_12_12_1,A2B9C11D2_oP96_19_2a_9a_11a_2a:C-H-N-O,96.0,A2B9C11D2_oP96_19_2a_9a_11a_2a:C-H-N-O +mp-1194534,La3VH3O8,-7.8110531013,-2.901478754,0.0,-0.0087011792,GGA+U,P2_1/m,A3B3C8D_mP30_11_ef_ef_2e3f_e:H-La-O-V,30.0,A3B3C8D_mP30_11_ef_ef_2e3f_e:H-La-O-V +mp-1201992,LaVH2I4O15,-5.8531651061000005,-1.4662450481,0.0197449589,0.0197449589,GGA+U,P2_1,A2B4CD15E_mP46_4_2a_4a_a_15a_a:H-I-La-O-V,46.0,A2B4CD15E_mP46_4_2a_4a_a_15a_a:H-I-La-O-V +mp-1196184,LaV2IO9,-7.6429325421,-2.3277491578,0.0,-0.0108107821,GGA+U,Pbcm,ABC9D2_oP52_57_d_d_c4d2e_cd:I-La-O-V,52.0,ABC9D2_oP52_57_d_d_c4d2e_cd:I-La-O-V +mp-1202389,LaVI5O16,-5.797497606,-1.4264643753,0.0,-0.0137355283,GGA+U,P2_1/c,A5BC16D_mP92_14_5e_e_16e_e:I-La-O-V,92.0,A5BC16D_mP92_14_5e_e_16e_e:I-La-O-V +mp-849780,La3H15I10O37,-5.4161256623,-1.3628940037,0.0269176945,0.0269176945,GGA,Aea2,A15B10C3D37_oC260_41_a7b_5b_ab_a18b:H-I-La-O,130.0,"Invalid WP multiplicities - A15B10C3D37_oC260_41_2a26b_17b_2a2b_2a70b:H-I-La-O, expected La3H27I17O71 to be La3H15I10O37" +mp-1182772,HgH3IO6,-3.04695877,0.7380736952,1.6566335899,1.6566335899,GGA,P1,A3BCD6_aP11_1_3a_a_a_6a:H-Hg-I-O,11.0,A3BCD6_aP11_1_3a_a_a_6a:H-Hg-I-O +mp-1198489,Hg3H4(IO6)2,-4.4983726765,-0.8417563665000001,0.0,-0.0035570614,GGA,P2_1/c,A4B3C2D12_mP84_14_4e_3e_2e_12e:H-Hg-I-O,84.0,A4B3C2D12_mP84_14_4e_3e_2e_12e:H-Hg-I-O +mp-1238169,Hg3H4(IO6)2,-4.4276144267,-0.7709981167000001,0.0707582499,0.0672011885,GGA,P2_1/c,A4B3C2D12_mP84_14_4e_3e_2e_12e:H-Hg-I-O,84.0,A4B3C2D12_mP84_14_4e_3e_2e_12e:H-Hg-I-O +mp-1197812,KHgH2I3O,-3.3108176003,-1.1150277049,0.0173237976,0.0173237976,GGA,Pna2_1,A2BC3DE_oP32_33_2a_a_3a_a_a:H-Hg-I-K-O,32.0,A2BC3DE_oP32_33_2a_a_3a_a_a:H-Hg-I-K-O +mp-1191626,KHgI3O,-2.5032444942,-0.7064333153,0.3563504432,0.3563504432,GGA,Pna2_1,AB3CD_oP24_33_a_3a_a_a:Hg-I-K-O,24.0,AB3CD_oP24_33_a_3a_a_a:Hg-I-K-O +mp-1202138,K2Mg4U3(H13O12)4,-5.7996136869,-1.6128342318,0.0019835626,0.0019835626,GGA,P-1,A52B2C4D48E3_aP109_2_26i_i_bci_24i_di:H-K-Mg-O-U,109.0,A52B2C4D48E3_aP109_2_26i_i_bci_24i_di:H-K-Mg-O-U +mp-1200357,Na2Zn(SO6)2,-5.3602508935,-1.1521356897,0.4310807511,0.4310807511,GGA,P2_1/c,A2B12C2D_mP34_14_e_6e_e_a:Na-O-S-Zn,34.0,A2B12C2D_mP34_14_e_6e_e_a:Na-O-S-Zn +mp-554754,Na2Zn(SO4)2,-6.051221778,-2.070359961,0.0,-0.0191925089,GGA,P2/c,A2B8C2D_mP104_13_2e2f2g_16g_4g_2g:Na-O-S-Zn,104.0,"Invalid WP multiplicities - A2B8C2D_mP104_13_4e4f7g_60g_15g_5g:Na-O-S-Zn, expected Na11Zn5(SO4)15 to be Na2Zn(SO4)2" +mp-2714694,Na2Zn2(SO4)3,-6.0226540218,-1.9734881301,0.031736834,0.031736834,GGA,C2/c,A2B12C3D2_mC76_15_ce_6f_ef_f:Na-O-S-Zn,114.0,"Invalid WP multiplicities - A2B12C3D2_mC76_15_ae_72f_6e7f_f:Na-O-S-Zn, expected NaZn(S5O36)2 to be Na2Zn2(SO4)3" +mp-1189154,NaZnSO4F,-5.7174801875,-2.1653611146,0.0048689934,0.0048689934,GGA,C2/c,ABC4DE_mC32_15_e_e_2f_e_a:F-Na-O-S-Zn,16.0,ABC4DE_mC32_15_e_e_2f_e_c:F-Na-O-S-Zn +mp-707762,K2CaH8(N3O)4,-6.2941909587,-0.6944539187000001,0.1578833823,0.1578833823,GGA,Ccce,AB8C2D12E4_oC108_68_a_2i_e_fh2i_i:Ca-H-K-N-O,54.0,AB8C2D12E4_oC108_68_a_2i_e_fh2i_i:Ca-H-K-N-O +mp-720856,KCa(H2N)3,-5.0147488155,-0.6073088271,0.0,-0.0021144945,GGA,P2_1/c,AB6CD3_mP44_14_e_6e_e_3e:Ca-H-K-N,44.0,"Invalid WP multiplicities - AB6CD3_mP44_14_e_21e_e_5e:Ca-H-K-N, expected KCaH21N5 to be KCa(H2N)3" +mp-745257,V2H15(NO4)3,-5.6853754558,-0.8907363269,0.4937744305,0.4937744305,GGA+U,P2_1/c,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V,128.0,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V +mp-1179703,V2H15(NO4)3,-5.8796878973,-1.0850487684,0.299461989,0.299461989,GGA+U,P2_1/c,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V,128.0,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V +mp-1238508,V2H15(NO4)3,-5.7382402325,-0.9436011036,0.4409096538,0.4409096538,GGA+U,P2_1/c,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V,128.0,A15B3C12D2_mP128_14_15e_3e_12e_2e:H-N-O-V +mp-1199406,V5NiH20NO22,-6.3994194828,-1.5786473501,0.0483512954,0.0483512954,GGA+U,P-1,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-N-Ni-O-V,98.0,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-N-Ni-O-V +mp-1192720,V3H4NO7,-7.378157325,-1.7924281054,0.0711444175,0.0711444175,GGA+U,C2/m,A4BC7D3_mC60_12_2ij_i_7i_3i:H-N-O-V,30.0,A4BC7D3_mC60_12_2ij_i_7i_3i:H-N-O-V +mp-1245731,VNiN2,-8.2333729438,-0.3491147938,0.3417600721,0.3417600721,GGA,P6_3/mmc,A2BC_hP8_194_f_a_c:N-Ni-V,8.0,A2BC_hP8_194_f_a_c:N-Ni-V +mp-765962,V3H8(NO4)2,-6.7889639407,-1.5203912688,0.0671259832,0.0671259832,GGA+U,P4bm,A8B2C8D3_tP42_100_2cd_c_abcd_ac:H-N-O-V,42.0,"Invalid WP multiplicities - A8B2C8D3_tP42_100_7c6d_c_2a2b4c6d_ac:H-N-O-V, expected V3H38(NO18)2 to be V3H8(NO4)2" +mp-768097,V3H4NO8,-7.3173427419,-1.7715535541,0.1048488941,0.1048488941,GGA+U,P2_1/m,A4BC8D3_mP32_11_2ef_e_2e3f_ef:H-N-O-V,32.0,"Invalid WP multiplicities - A4BC8D3_mP32_11_3e2f_e_4e5f_e2f:H-N-O-V, expected V5H7NO14 to be V3H4NO8" +mp-24067,V3H4NO8,-7.3169052528,-1.7711160650000002,0.1052863831,0.1052863831,GGA+U,P2_1/m,A4BC8D3_mP32_11_2ef_e_2e3f_ef:H-N-O-V,32.0,"Invalid WP multiplicities - A4BC8D3_mP32_11_2ef_e_3e7f_ef:H-N-O-V, expected V3H4NO17 to be V3H4NO8" +mp-726626,VH4NO3,-6.4482469433,-1.3558723535,0.0720874421,0.0720874421,GGA+U,Pbcm,A4BC3D_oP36_57_2de_d_c2d_d:H-N-O-V,36.0,A4BC3D_oP36_57_2de_d_c2d_d:H-N-O-V +mp-1049767,V2Ni(H4O5)2,-5.8644464902,-1.0760348573,0.5580530576,0.5580530576,GGA+U,P-1,A8BC10D2_aP42_2_8i_be_10i_2i:H-Ni-O-V,42.0,"Invalid WP multiplicities - A8BC10D2_aP42_2_16i_be_20i_4i:H-Ni-O-V, expected V4Ni(H4O5)4 to be V2Ni(H4O5)2" +mp-697709,V2Ni(H4O5)2,-5.8928019683,-1.1043903354,0.5296975795000001,0.5296975795000001,GGA+U,C2/c,A8BC10D2_mC84_15_4f_c_5f_f:H-Ni-O-V,42.0,A8BC10D2_mC84_15_4f_c_5f_f:H-Ni-O-V +mp-1179599,V2Ni(H4O5)2,-6.3953773302,-1.6069656973000002,0.0271222176,0.0271222176,GGA+U,C2/c,A8BC10D2_mC84_15_4f_c_5f_f:H-Ni-O-V,42.0,A8BC10D2_mC84_15_4f_a_5f_f:H-Ni-O-V +mp-1238141,V2Ni(H4O5)2,-5.9456863545,-1.1572747215,0.4768131933,0.4768131933,GGA+U,C2/c,A8BC10D2_mC84_15_4f_c_5f_f:H-Ni-O-V,42.0,A8BC10D2_mC84_15_4f_c_5f_f:H-Ni-O-V +mp-1193390,V4Ni2N,-8.6354453468,-0.6022464089,0.0,-0.0160283307,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Ni-V,28.0,AB2C4_cF112_227_c_e_df:N-Ni-V +mp-560788,V2NiH24(N4O5)2,-5.5947433791,-0.6718051477,0.3545778665,0.3545778665,GGA+U,P-1,A24B8CD10E2_aP45_2_12i_4i_a_5i_i:H-N-Ni-O-V,45.0,"Invalid WP multiplicities - A24B8CD10E2_aP45_2_23i_8i_a_7i_i:H-N-Ni-O-V, expected V2NiH46(N8O7)2 to be V2NiH24(N4O5)2" +mp-542027,V2Ni(HO2)4,-6.9114796427,-1.7719887967,0.002912676,0.002912676,GGA+U,Pnma,A4BC8D2_oP60_62_2cd_c_2c3d_d:H-Ni-O-V,60.0,A4BC8D2_oP60_62_2cd_c_2c3d_d:H-Ni-O-V +mp-1204985,V5H18N3O17,-6.5078111084,-1.4940485032000002,0.0796868987,0.0796868987,GGA+U,P-1,A18B3C17D5_aP172_2_36i_6i_34i_10i:H-N-O-V,172.0,A18B3C17D5_aP172_2_36i_6i_34i_10i:H-N-O-V +mp-1247423,V(NiN)4,-7.4060198728,-0.122638485,0.210902797,0.210902797,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Ni-V,18.0,A4B4C_aP18_2_4i_4i_i:N-Ni-V +mp-728437,VH7N2O5,-5.7380101945,-0.7887154084,0.5351857395,0.5351857395,GGA+U,Pnma,A7B2C5D_oP60_62_3c2d_2c_c2d_c:H-N-O-V,60.0,A7B2C5D_oP60_62_3c2d_2c_c2d_c:H-N-O-V +mp-1245760,V2NiN2,-9.041830352,-0.917642618,0.155974224,0.155974224,GGA,I4/mmm,A2BC2_tI10_139_e_a_e:N-Ni-V,5.0,A2BC2_tI10_139_e_a_e:N-Ni-V +mp-758378,V2NiH6(NO3)2,-6.6931600409000005,-1.3603702051,0.075620592,0.075620592,GGA+U,Pnma,A6B2CD6E2_oP68_62_2c2d_2c_c_3d_d:H-N-Ni-O-V,68.0,"Invalid WP multiplicities - A6B2CD6E2_oP68_62_7c6d_5c_c_9d_d:H-N-Ni-O-V, expected V2NiH19N5O18 to be V2NiH6(NO3)2" +mp-1247484,VNi2N3,-7.8558343533,-0.2468903192,0.2269358178,0.2269358178,GGA,Cmcm,A3B2C_oC24_63_cg_g_c:N-Ni-V,12.0,A3B2C_oC24_63_cg_g_c:N-Ni-V +mp-707841,PH6NO3,-5.6958725900000005,-1.2462162413,0.0148385712,0.0148385712,GGA,P2_1/c,A6BC3D_mP44_14_6e_e_3e_e:H-N-O-P,44.0,A6BC3D_mP44_14_6e_e_3e_e:H-N-O-P +mp-706979,PH6N3O,-5.84537306,-0.7793883088,0.0067363632,0.0067363632,GGA,P2_1/c,A6B3CD_mP44_14_6e_3e_e_e:H-N-O-P,44.0,A6B3CD_mP44_14_6e_3e_e_e:H-N-O-P +mp-757388,PH6NO4,-5.9402603012,-1.449184589,0.0264080146,0.0179857827,GGA,P2_12_12_1,A6BC4D_oP48_19_6a_a_4a_a:H-N-O-P,48.0,"Invalid WP multiplicities - A6BC4D_oP48_19_9a_a_9a_a:H-N-O-P, expected PH9NO9 to be PH6NO4" +mp-604120,PH6NO4,-5.9124750767,-1.4213993644,0.0541932392,0.0457710073,GGA,P2_12_12_1,A6BC4D_oP48_19_6a_a_4a_a:H-N-O-P,48.0,"Invalid WP multiplicities - A6BC4D_oP48_19_23a_a_15a_a:H-N-O-P, expected PH23NO15 to be PH6NO4" +mp-23934,PH6NO4,-5.9639077152,-1.4728320030000002,0.0027606006,-0.0056616313,GGA,P2_12_12_1,A6BC4D_oP48_19_6a_a_4a_a:H-N-O-P,48.0,"Invalid WP multiplicities - A6BC4D_oP48_19_9a_a_9a_a:H-N-O-P, expected PH9NO9 to be PH6NO4" +mp-1220029,PH6NO4,-5.9666683158,-1.4755926036,0.0,-0.0084222319,GGA,Fdd2,A6BC4D_oF96_43_3b_a_2b_a:H-N-O-P,24.0,"Invalid WP multiplicities - A6BC4D_oF96_43_8b_a_7b_a:H-N-O-P, expected PH16NO14 to be PH6NO4" +mp-1220107,PH6NO4,-5.938504465,-1.4474287528,0.0281638508,0.0197416189,GGA,Fdd2,A6BC4D_oF96_43_3b_a_2b_a:H-N-O-P,24.0,"Invalid WP multiplicities - A6BC4D_oF96_43_8b_a_7b_a:H-N-O-P, expected PH16NO14 to be PH6NO4" +mp-23672,PH6NO4,-5.9647910596,-1.4737153474,0.0018772562,-0.0065449757,GGA,I-42d,A6BC4D_tI48_122_de_a_e_b:H-N-O-P,24.0,"Invalid WP multiplicities - A6BC4D_tI48_122_2d3e_a_e_b:H-N-O-P, expected PH16NO4 to be PH6NO4" +mp-1190536,PH6NO4,-5.9272997279,-1.4362240157,0.0393685879,0.030946356,GGA,I-42d,A6BC4D_tI48_122_de_a_e_b:H-N-O-P,24.0,A6BC4D_tI48_122_de_a_e_b:H-N-O-P +mp-703476,P2H16N4O7,-5.827388826,-1.2383190877,0.0,-0.0050344477,GGA,C2/c,A16B4C7D2_mC116_15_8f_2f_e3f_f:H-N-O-P,58.0,A16B4C7D2_mC116_15_8f_2f_e3f_f:H-N-O-P +mp-697683,PH8N3O2,-5.7602368298,-0.9418101824,0.0,-0.0117577071,GGA,P2_1/c,A8B3C2D_mP56_14_8e_3e_2e_e:H-N-O-P,56.0,A8B3C2D_mP56_14_8e_3e_2e_e:H-N-O-P +mp-733838,PH5N2O3,-5.9370956484,-1.0380057652,0.2643997451,0.2643997451,GGA,P-1,A5B2C3D_aP44_2_10i_4i_6i_2i:H-N-O-P,44.0,A5B2C3D_aP44_2_10i_4i_6i_2i:H-N-O-P +mp-1220462,PH18N3O7,-5.5046733228,-1.1557534238,0.0,-0.0017522666,GGA,P2_1/c,A18B3C7D_mP116_14_18e_3e_7e_e:H-N-O-P,116.0,A18B3C7D_mP116_14_18e_3e_7e_e:H-N-O-P +mp-730823,P6H24N6O19,-6.0861122373,-1.3968159612,0.1326271672,0.1326271672,GGA,R-3,A24B6C19D6_hR165_148_4f_f_a3f_f:H-N-O-P,55.0,A24B6C19D6_hR165_148_4f_f_a3f_f:H-N-O-P +mp-1196878,P2H10N6O,-5.9049508736,-0.6565548880000001,0.0148541447,0.0148541447,GGA,P2_1/c,A10B6CD2_mP152_14_20e_12e_2e_4e:H-N-O-P,152.0,A10B6CD2_mP152_14_20e_12e_2e_4e:H-N-O-P +mp-759344,P3H30N7O12,-5.7327490349,-1.1993371526,0.0,-0.0097342358,GGA,P2_1,A30B7C12D3_mP104_4_30a_7a_12a_3a:H-N-O-P,104.0,"Invalid WP multiplicities - A30B7C12D3_mP104_4_59a_13a_23a_5a:H-N-O-P, expected P5H59N13O23 to be P3H30N7O12" +mp-1197454,PH4NO3,-6.1952812138,-1.5107514643000002,0.004428772,-0.0344999903,GGA,P2_1/c,A4BC3D_mP144_14_16e_4e_12e_4e:H-N-O-P,144.0,A4BC3D_mP144_14_16e_4e_12e_4e:H-N-O-P +mp-706986,PH4NO3,-6.1997099858,-1.5151802363,0.0,-0.0389287623,GGA,Cmce,A4BC3D_oC144_64_2f3g_ef_2f2g_df:H-N-O-P,72.0,A4BC3D_oC144_64_2f3g_ef_2f2g_df:H-N-O-P +mp-720874,PH5NO4,-6.063483542,-1.4725578601,0.056806867,0.056806867,GGA,P2_1/c,A5BC4D_mP44_14_5e_e_4e_e:H-N-O-P,44.0,A5BC4D_mP44_14_5e_e_4e_e:H-N-O-P +mp-740735,P2H10N2O7,-5.8432833204,-1.269298735,0.2232599969,0.2232599969,GGA,P2_1/c,A10B2C7D2_mP84_14_10e_2e_7e_2e:H-N-O-P,84.0,A10B2C7D2_mP84_14_10e_2e_7e_2e:H-N-O-P +mp-1179823,PH8NO4,-5.18770335,-0.8535347331,0.4120199097,0.4120199097,GGA,I-42d,A8BC4D_tI56_122_2e_a_e_b:H-N-O-P,28.0,A8BC4D_tI56_122_2e_a_e_b:H-N-O-P +mp-720644,PH9(NO2)2,-5.7763509711,-1.2508771207,0.0026359187,0.000257929,GGA,P2_1/c,A9B2C4D_mP64_14_9e_2e_4e_e:H-N-O-P,64.0,A9B2C4D_mP64_14_9e_2e_4e_e:H-N-O-P +mp-1186402,PH9(NO2)2,-5.7625275233,-1.2370536729,0.0164593665,0.0140813768,GGA,P2_1/c,A9B2C4D_mP64_14_9e_2e_4e_e:H-N-O-P,64.0,A9B2C4D_mP64_14_9e_2e_4e_e:H-N-O-P +mp-1197623,PH9(NO2)2,-5.7789868898000005,-1.2535130393,0.0,-0.0023779897,GGA,P2_1/c,A9B2C4D_mP128_14_18e_4e_8e_2e:H-N-O-P,128.0,A9B2C4D_mP128_14_18e_4e_8e_2e:H-N-O-P +mp-707905,PH7N2O3,-5.8257970622,-1.1584554618,0.0497089678,0.0497089678,GGA,P2_1/c,A7B2C3D_mP104_14_14e_4e_6e_2e:H-N-O-P,104.0,A7B2C3D_mP104_14_14e_4e_6e_2e:H-N-O-P +mp-760489,PH6NO2,-5.370396529,-0.9704434166,0.0323670149,0.0323670149,GGA,Cmme,A6BC2D_oC40_67_mo_a_n_g:H-N-O-P,20.0,"Invalid WP multiplicities - A6BC2D_oC40_67_m2o_a_n_g:H-N-O-P, expected PH10NO2 to be PH6NO2" +mp-695955,P3H11N4O9,-6.2618102294,-1.3941779288,0.0848515841,0.0848515841,GGA,P-1,A11B4C9D3_aP54_2_11i_4i_9i_3i:H-N-O-P,54.0,A11B4C9D3_aP54_2_11i_4i_9i_3i:H-N-O-P +mp-721442,PH5(NO2)2,-5.8811022669,-0.9780458147,0.4238718519,0.4238718519,GGA,P2_12_12_1,A5B2C4D_oP48_19_5a_2a_4a_a:H-N-O-P,48.0,A5B2C4D_oP48_19_5a_2a_4a_a:H-N-O-P +mp-1197760,PHN2,-6.90910492,-0.5393503196,0.0129502956,-0.0208242114,GGA,P2/c,AB2C_mP32_13_2g_ef3g_2g:H-N-P,32.0,AB2C_mP32_13_2g_ef3g_2g:H-N-P +mp-697139,PHN2,-6.9220552156,-0.5523006152000001,0.0,-0.033774507,GGA,P2_12_12_1,AB2C_oP16_19_a_2a_a:H-N-P,16.0,AB2C_oP16_19_a_2a_a:H-N-P +mp-35220,PHN2,-6.920124665,-0.5503700646,0.0019305506,-0.0318439564,GGA,I2_12_12_1,AB2C_oI16_24_a_ab_c:H-N-P,8.0,"Invalid WP multiplicities - AB2C_oI16_24_a_2a2b_c:H-N-P, expected PHN4 to be PHN2" +mp-1198464,PH7(NO2)2,-5.915584888,-1.2282899226,0.0924346278,0.0924346278,GGA,P2_12_12_1,A7B2C4D_oP56_19_7a_2a_4a_a:H-N-O-P,56.0,A7B2C4D_oP56_19_7a_2a_4a_a:H-N-O-P +mp-1221131,P3H10N3O8,-6.1645081184,-1.3832513503,0.1298252736,0.1298252736,GGA,P2_1/c,A10B3C8D3_mP96_14_10e_3e_8e_3e:H-N-O-P,96.0,A10B3C8D3_mP96_14_10e_3e_8e_3e:H-N-O-P +mp-1238316,P3H10N3O8,-6.1825921176,-1.4013353495,0.1117412744,0.1117412744,GGA,P2_1/c,A10B3C8D3_mP96_14_10e_3e_8e_3e:H-N-O-P,96.0,A10B3C8D3_mP96_14_10e_3e_8e_3e:H-N-O-P +mp-1201491,Lu6H40N8O49,-6.1556737617,-1.573980061,0.0,-0.0168723645,GGA,P-1,A40B6C8D49_aP103_2_20i_3i_4i_a24i:H-Lu-N-O,103.0,A40B6C8D49_aP103_2_20i_3i_4i_a24i:H-Lu-N-O +mp-721182,PH11(NO2)2,-5.5058344478,-1.1062214646,0.0080123481,0.0080123481,GGA,P2_1/c,A11B2C4D_mP72_14_11e_2e_4e_e:H-N-O-P,72.0,A11B2C4D_mP72_14_11e_2e_4e_e:H-N-O-P +mp-706622,PH6(NO)2,-5.7929780934,-1.0351575435,0.0154417342,0.0154417342,GGA,P2_1/c,A6B2C2D_mP44_14_6e_2e_2e_e:H-N-O-P,44.0,A6B2C2D_mP44_14_6e_2e_2e_e:H-N-O-P +mp-1198510,P2H9NO8,-6.1016534392,-1.6380962376,0.0,-0.0003976988,GGA,P2_1/c,A9BC8D2_mP80_14_9e_e_8e_2e:H-N-O-P,80.0,A9BC8D2_mP80_14_9e_e_8e_2e:H-N-O-P +mp-696744,PH2NO4,-5.8826229656,-0.8423724198,0.8317504319,0.8317504319,GGA,I-42d,A2BC4D_tI32_122_d_a_e_b:H-N-O-P,16.0,A2BC4D_tI32_122_d_a_e_b:H-N-O-P +mp-28892,PH4N3,-6.0128864616,-0.5136750289,0.0,-0.0261839981,GGA,P2_1/c,A4B3C_mP96_14_12e_9e_3e:H-N-P,96.0,"Invalid WP multiplicities - A4B3C_mP96_14_14e_11e_3e:H-N-P, expected P3H14N11 to be PH4N3" +mp-1203948,P2H12N8O3,-5.9438752904,-0.6210215669,0.2010951465,0.2010951465,GGA,P-1,A12B8C3D2_aP50_2_12i_8i_3i_2i:H-N-O-P,50.0,A12B8C3D2_aP50_2_12i_8i_3i_2i:H-N-O-P +mp-696678,PH2NO2,-4.9441369692,0.1273008549,1.6340666415,1.6340666415,GGA,Cmme,A2BC2D_oC24_67_m_a_n_g:H-N-O-P,12.0,A2BC2D_oC24_67_m_a_n_g:H-N-O-P +mp-706449,P2H6N2O5,-5.8520551073,-1.012762128,0.4990523284,0.4990523284,GGA,P2,A6B2C5D2_mP60_3_12e_4e_10e_4e:H-N-O-P,60.0,A6B2C5D2_mP60_3_12e_4e_10e_4e:H-N-O-P +mp-601348,LuP2H4NO7,-7.1205950017,-2.3284766272,0.0,-0.0109991035,GGA,P2_1/c,A4BCD7E2_mP60_14_4e_e_e_7e_2e:H-Lu-N-O-P,60.0,A4BCD7E2_mP60_14_4e_e_e_7e_2e:H-Lu-N-O-P +mp-1211548,KLaS2O9,-6.7394836587,-2.213367952,0.1610791871,0.1610791871,GGA,P3_121,ABC9D2_hP39_152_b_a_a4c_c:K-La-O-S,39.0,ABC9D2_hP39_152_b_a_a4c_c:K-La-O-S +mp-1211400,KLa(SO4)2,-7.0633856904,-2.5723177341,0.0,-0.02546679,GGA,P-1,ABC8D2_aP24_2_i_i_8i_2i:K-La-O-S,24.0,ABC8D2_aP24_2_i_i_8i_2i:K-La-O-S +mp-1195845,KLaH2S2O9,-6.6824228462,-2.3074257611,0.0068392303,0.0068392303,GGA,P3_221,A2BCD9E2_hP45_154_c_b_a_a4c_c:H-K-La-O-S,45.0,A2BCD9E2_hP45_154_c_b_a_a4c_c:H-K-La-O-S +mp-755031,KPrPCO7,-7.6375356973,-2.6229817264,0.0826597861,0.0826597861,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Pr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Pr, expected KPrPCO13 to be KPrPCO7" +mp-772765,K2PrPCO7,-7.434304385,-2.7450966661,0.037302936,0.037302936,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Pr,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Pr, expected K2PrPCO13 to be K2PrPCO7" +mp-727594,Rb2UC2SO11,-7.4254945562,-2.1160925073,0.2919105135,0.2919105135,GGA,Pna2_1,A2B11C2DE_oP68_33_2a_11a_2a_a_a:C-O-Rb-S-U,68.0,A2B11C2DE_oP68_33_2a_11a_2a_a_a:C-O-Rb-S-U +mp-1216673,U2CS,-9.8652837725,-0.8782999277,0.0,-0.0044383625,GGA,R-3m,ABC2_hR12_166_a_b_c:C-S-U,4.0,ABC2_hR12_166_a_b_c:C-S-U +mp-1199075,H3CSO3,-5.5324940089,-0.7345740554,0.5389571882,0.5389571882,GGA,P2_1/c,AB3C3D_mP64_14_2e_6e_6e_2e:C-H-O-S,64.0,AB3C3D_mP64_14_2e_6e_6e_2e:C-H-O-S +mp-995221,H2CSO4,-6.1259949137,-1.133829627,0.3404984253,0.3404984253,GGA,C222_1,AB2C4D_oC32_20_a_c_2c_b:C-H-O-S,16.0,AB2C4D_oC32_20_a_c_2c_b:C-H-O-S +mp-1192689,H6C2SO4,-5.6343370777,-0.8084223110000001,0.3169419268,0.3169419268,GGA,C2/c,A2B6C4D_mC52_15_f_3f_2f_e:C-H-O-S,26.0,A2B6C4D_mC52_15_f_3f_2f_e:C-H-O-S +mp-1193557,H6C2SO4,-5.6372224958,-0.8113077291,0.3140565088,0.3140565088,GGA,Fdd2,A2B6C4D_oF104_43_b_3b_2b_a:C-H-O-S,26.0,A2B6C4D_oF104_43_b_3b_2b_a:C-H-O-S +mp-1202815,EuH3CSO7,-7.1319841425,-1.8683598138,0.0956007687,0.0956007687,GGA,P4_1,ABC3D7E_tP52_76_a_a_3a_7a_a:C-Eu-H-O-S,52.0,ABC3D7E_tP52_76_a_a_3a_7a_a:C-Eu-H-O-S +mp-18487,KVTeO5,-6.8392136153,-2.080331807,0.0,-0.0122322536,GGA+U,P2_1/c,AB5CD_mP32_14_e_5e_e_e:K-O-Te-V,32.0,AB5CD_mP32_14_e_5e_e_e:K-O-Te-V +mp-1211305,KVHO3,-6.3182765842,-1.5804270515,0.5613458461,0.5613458461,GGA+U,Pnma,ABC3D_oP24_62_c_c_3c_c:H-K-O-V,24.0,ABC3D_oP24_62_c_c_3c_c:H-K-O-V +mp-1197782,K3V5Te4(HO3)8,-6.5811403034,-1.8723610263,0.0093391446,0.0093391446,GGA+U,Pmmn,A8B3C24D4E5_oP88_59_2g_a2b_3ef4g_2e_ag:H-K-O-Te-V,88.0,A8B3C24D4E5_oP88_59_2g_a2b_3ef4g_2e_ag:H-K-O-Te-V +mp-728819,KVH4O7,-5.9882963346,-1.4966017057,0.0333365969,0.0226650646,GGA+U,P1,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V,26.0,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V +mp-1181165,KVH4O7,-6.0216329315,-1.5299383026,0.0,-0.0106715323,GGA+U,P1,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V,26.0,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V +mp-1239045,KVH4O7,-5.8964347,-1.4047400711,0.1251982315,0.1145266992,GGA+U,P1,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V,26.0,A4BC7D_aP26_1_8a_2a_14a_2a:H-K-O-V +mp-1223363,KSO2F,-5.590990434,-2.1806493932,0.0241465303,0.0241465303,GGA,P2_1,ABC2D_mP10_4_a_a_2a_a:F-K-O-S,10.0,ABC2D_mP10_4_a_a_2a_a:F-K-O-S +mp-6560,KSO2F,-5.596307142,-2.1859661012,0.0188298223,0.0188298223,GGA,P2_1/m,ABC2D_mP10_11_e_e_f_e:F-K-O-S,10.0,ABC2D_mP10_11_e_e_f_e:F-K-O-S +mp-557035,K3SO4F,-5.6633534156,-2.4227000244,0.0019806269,0.0019806269,GGA,I4/mcm,AB3C4D_tI36_140_c_ah_l_b:F-K-O-S,18.0,"Invalid WP multiplicities - AB3C4D_tI36_140_c_2a2h_l_b:F-K-O-S, expected K6SO4F to be K3SO4F" +mp-1223822,K3SO4F,-5.6551675633,-2.4145141722,0.0101664792,0.0101664792,GGA,P-43m,AB3C4D_cP9_215_b_c_e_a:F-K-O-S,9.0,AB3C4D_cP9_215_b_c_e_a:F-K-O-S +mp-1181191,KAl(SO10)2,-5.2944589439,-0.6251819132,0.5385882230000001,0.5385882230000001,GGA,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Al-K-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Al-K-O-S +mp-1196384,KAl(SO10)2,-4.8543050751,-0.1850280444,0.9787420918,0.9787420918,GGA,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Al-K-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Al-K-O-S +mp-1223405,KSO3F,-5.9245177238,-2.2581187379,0.0,-0.0862890272,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:F-K-O-S,24.0,ABC3D_oP24_62_c_c_cd_c:F-K-O-S +mp-1203080,K2AlSO4F3,-6.1229894693,-2.8844426204,0.0,-0.027009545,GGA,Pbcn,AB3C2D4E_oP44_60_a_cd_d_2d_c:Al-F-K-O-S,44.0,AB3C2D4E_oP44_60_a_cd_d_2d_c:Al-F-K-O-S +mp-1106382,KAl3(SO7)2,-6.495901989,-2.0022185826,0.2783039355,0.2783039355,GGA,R-3m,A3BC14D2_hR60_166_d_a_c2h_c:Al-K-O-S,20.0,A3BC14D2_hR60_166_d_a_c2h_c:Al-K-O-S +mp-669367,KAl(SO4)2,-6.7075557325,-2.3156903824,0.01184989,0.0035873764,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Al-K-O-S,12.0,"Invalid WP multiplicities - ABC8D2_hP12_150_a_b_d2g_d:Al-K-O-S, expected KAl(SO7)2 to be KAl(SO4)2" +mp-7645,KAl(SO4)2,-6.7194056225,-2.3275402724,0.0,-0.0082625136,GGA,P-3m1,ABC8D2_hP12_164_a_b_di_d:Al-K-O-S,12.0,"Invalid WP multiplicities - ABC8D2_hP12_164_a_b_d2i_d:Al-K-O-S, expected KAl(SO7)2 to be KAl(SO4)2" +mp-1205042,KAl(SO7)2,-4.1764778043,0.4003286662,1.9520221811,1.9520221811,GGA,Pa-3,ABC14D2_cP72_205_a_b_c2d_c:Al-K-O-S,72.0,ABC14D2_cP72_205_a_b_c2d_c:Al-K-O-S +mp-721365,VH10SO10,-5.9365576872,-1.5449893463,0.0010078342,0.0010078342,GGA+U,P2_1/c,A10B10CD_mP88_14_10e_10e_e_e:H-O-S-V,88.0,A10B10CD_mP88_14_10e_10e_e_e:H-O-S-V +mp-699251,VH10SO10,-5.9153356293,-1.5237672884,0.022229892,0.022229892,GGA+U,Pmn2_1,A10B10CD_oP44_31_2a4b_4a3b_a_a:H-O-S-V,44.0,A10B10CD_oP44_31_2a4b_4a3b_a_a:H-O-S-V +mp-734034,VH10SO10,-5.4189720525,-1.0274037116,0.5185934689,0.5185934689,GGA+U,Pmn2_1,A10B10CD_oP44_31_5b_4a3b_a_a:H-O-S-V,44.0,A10B10CD_oP44_31_5b_4a3b_a_a:H-O-S-V +mp-1179147,VH10SO10,-5.933035508,-1.5414671671,0.0045300134,0.0045300134,GGA+U,Pmn2_1,A10B10CD_oP44_31_5b_4a3b_a_a:H-O-S-V,44.0,A10B10CD_oP44_31_5b_4a3b_a_a:H-O-S-V +mp-1195871,VH6SO8,-6.2114314008,-1.6395425322,0.0033856516,0.0033856516,GGA+U,P2_1/c,A6B8CD_mP64_14_6e_8e_e_e:H-O-S-V,64.0,A6B8CD_mP64_14_6e_8e_e_e:H-O-S-V +mp-1217176,VH6SO10,-6.0897518675,-1.476218572,0.010262863,0.010262863,GGA+U,P-1,A6B10CD_aP36_2_6i_10i_i_i:H-O-S-V,36.0,A6B10CD_aP36_2_6i_10i_i_i:H-O-S-V +mp-1210714,VH12SO10,-5.8182767089,-1.509945226,0.0,-0.0156142559,GGA+U,C2/c,A12B10CD_mC192_15_12f_10f_f_ae:H-O-S-V,96.0,A12B10CD_mC192_15_12f_10f_f_ae:H-O-S-V +mp-541434,VH14SO11,-5.7124473987,-1.4482956805,0.0363283004,0.0363283004,GGA+U,P2_1/c,A14B11CD_mP108_14_14e_11e_e_ad:H-O-S-V,108.0,A14B11CD_mP108_14_14e_11e_e_ad:H-O-S-V +mp-1196378,VH12SO11,-5.8451538928,-1.5112881208,0.0034052254,0.0034052254,GGA+U,P-1,A12B11CD_aP50_2_12i_11i_i_i:H-O-S-V,50.0,A12B11CD_aP50_2_12i_11i_i_i:H-O-S-V +mp-1217614,V3NiH48(SO10)4,-5.726283143,-1.4523659246,0.0304759699,0.0304759699,GGA+U,C2,A48BC40D4E3_mC192_5_24c_a_20c_2c_bc:H-Ni-O-S-V,96.0,A48BC40D4E3_mC192_5_24c_a_20c_2c_bc:H-Ni-O-S-V +mp-761158,LiVSi4(HO6)2,-7.6042647835,-2.6622738994,0.0978429015,0.0978429015,GGA+U,P-1,A2BC12D4E_aP40_2_2i_i_12i_4i_ae:H-Li-O-Si-V,40.0,"Invalid WP multiplicities - A2BC12D4E_aP40_2_3i_i_23i_7i_ae:H-Li-O-Si-V, expected LiVSi7H3O23 to be LiVSi4(HO6)2" +mp-1256989,LiVSi4(HO6)2,-7.626049364,-2.6840584799,0.076058321,0.076058321,GGA+U,P-1,A2BC12D4E_aP40_2_2i_i_12i_4i_ae:H-Li-O-Si-V,40.0,"Invalid WP multiplicities - A2BC12D4E_aP40_2_3i_i_23i_7i_ae:H-Li-O-Si-V, expected LiVSi7H3O23 to be LiVSi4(HO6)2" +mp-770607,Li3VSi4(HO6)2,-7.3954089059,-2.729151478,0.0331924746,0.0331924746,GGA+U,P-1,A2B3C12D4E_aP44_2_2i_3i_12i_4i_ae:H-Li-O-Si-V,44.0,"Invalid WP multiplicities - A2B3C12D4E_aP44_2_3i_5i_23i_7i_ae:H-Li-O-Si-V, expected Li5VSi7H3O23 to be Li3VSi4(HO6)2" +mp-1266205,Li3VSi4(HO6)2,-7.4103024432,-2.7440450152,0.0182989373,0.0182989373,GGA+U,P-1,A2B3C12D4E_aP44_2_2i_3i_12i_4i_ae:H-Li-O-Si-V,44.0,"Invalid WP multiplicities - A2B3C12D4E_aP44_2_3i_5i_23i_7i_ae:H-Li-O-Si-V, expected Li5VSi7H3O23 to be Li3VSi4(HO6)2" +mp-1194039,PN3OF2,-7.0096518525,-1.4107327199,0.1553157535,0.1553157535,GGA,P-1,A2B3CD_aP28_2_4i_6i_2i_2i:F-N-O-P,28.0,A2B3CD_aP28_2_4i_6i_2i_2i:F-N-O-P +mp-1199266,CeP5N2O15,-7.4828727039,-2.0970934775,0.4244671133,0.4244671133,GGA,Cc,AB2C15D5_mC92_9_a_2a_15a_5a:Ce-N-O-P,46.0,AB2C15D5_mC92_9_a_2a_15a_5a:Ce-N-O-P +mp-1213804,CeP4NO12,-7.7134515286,-2.4199482707,0.2990159945,0.2990159945,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Ce-N-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Ce-N-O-P +mp-1192958,CeP2(NO4)2,-7.0654184369,-1.4495573824,1.0226872421,1.0226872421,GGA,I4_1/amd,AB2C8D2_tI52_141_a_d_2h_e:Ce-N-O-P,26.0,AB2C8D2_tI52_141_a_d_2h_e:Ce-N-O-P +mp-1213838,CeP2N2O9,-6.7467245229,-1.1786614929,1.1906151271,1.1906151271,GGA,I4_1/amd,AB2C9D2_tI56_141_b_c_a2h_e:Ce-N-O-P,28.0,"Invalid WP multiplicities - AB2C9D2_tI56_141_b_c_a4h_e:Ce-N-O-P, expected CeP2N2O17 to be CeP2N2O9" +mp-1179831,PN2O4F,-6.5312426625,-1.0581768914,0.5036026931,0.5036026931,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:F-N-O-P,32.0,AB2C4D_mP32_14_e_2e_4e_e:F-N-O-P +mp-1203783,PN2O4F,-6.1414550475,-0.6683892764,0.8933903081000001,0.8933903081000001,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:F-N-O-P,32.0,AB2C4D_mP32_14_e_2e_4e_e:F-N-O-P +mp-1189908,CePN(O2F)2,-7.0022974517,-2.1920086331,0.7213700952000001,0.7213700952000001,GGA,P2_1/m,AB2CD4E_mP18_11_e_f_e_2ef_e:Ce-F-N-O-P,18.0,AB2CD4E_mP18_11_e_f_e_2ef_e:Ce-F-N-O-P +mp-696683,K3SnHF8,-4.8894168765,-2.8874686857,0.0,-0.0243307008,GGA,C2/c,A8BC3D_mC52_15_2e3f_a_ef_e:F-H-K-Sn,26.0,A8BC3D_mC52_15_2e3f_a_ef_e:F-H-K-Sn +mp-1224808,K2SnHOF6,-4.9950542645,-2.6279035091000003,0.0215775679,0.0215775679,GGA,Fdd2,A6BC2DE_oF176_43_6b_b_2ab_b_b:F-H-K-O-Sn,44.0,"Invalid WP multiplicities - A6BC2DE_oF176_43_9b_b_3ab_b_b:F-H-K-O-Sn, expected K5Sn2H2(OF9)2 to be K2SnHOF6" +mp-41634,K2SnH2OF6,-5.0124789273,-2.5598635644,0.0290841754,0.0290841754,GGA,C2/c,A6B2C2DE_mC96_15_6f_2f_2f_f_2e:F-H-K-O-Sn,48.0,"Invalid WP multiplicities - A6B2C2DE_mC96_15_23f_3f_5f_f_3e:F-H-K-O-Sn, expected K10Sn3H6(OF23)2 to be K2SnH2OF6" +mp-1196739,K2SnH2OF6,-5.0026831958,-2.5500678329,0.0388799069,0.0388799069,GGA,Fddd,A6B2C2DE_oF192_70_3h_h_ef_e_g:F-H-K-O-Sn,48.0,A6B2C2DE_oF192_70_3h_h_ef_e_g:F-H-K-O-Sn +mp-726643,K2SnOF6,-4.7720095162,-2.5074162897,0.2147047919,0.2147047919,GGA,Fddd,A6B2CD_oF160_70_3h_ef_e_g:F-K-O-Sn,40.0,A6B2CD_oF160_70_3h_ef_e_g:F-K-O-Sn +mp-732277,K2Sn2OF6,-4.8206674277,-2.3974397804,0.3980057235,0.3980057235,GGA,I4/m,A6B2CD2_tI44_87_3h_h_ab_h:F-K-O-Sn,22.0,A6B2CD2_tI44_87_3h_h_ab_h:F-K-O-Sn +mp-1214225,C2S3I,-5.5065587906,-0.116550968,0.1013155374,0.1013155374,GGA,C2/c,A2BC3_mC96_15_4f_2f_6f:C-I-S,48.0,A2BC3_mC96_15_4f_2f_6f:C-I-S +mp-1195374,HgH9C3SI3,-4.2571525587,-0.3112254902,0.0008959605,0.0008959605,GGA,P2_1/c,A3B9CD3E_mP68_14_3e_9e_e_3e_e:C-H-Hg-I-S,68.0,A3B9CD3E_mP68_14_3e_9e_e_3e_e:C-H-Hg-I-S +mp-558381,PtCI2O,-5.3514074755,-0.7127634308,0.0880793278,0.0880793278,GGA,C2/c,AB2CD_mC40_15_f_2f_f_f:C-I-O-Pt,20.0,"Invalid WP multiplicities - AB2CD_mC40_15_f_6f_f_f:C-I-O-Pt, expected PtCI6O to be PtCI2O" +mp-1102535,PtC4S2(IO)2,-5.1972547618,0.6299093424000001,1.3533311343,1.3533311343,GGA,P-1,A4B2C2DE2_aP11_2_2i_i_i_a_i:C-I-O-Pt-S,11.0,A4B2C2DE2_aP11_2_2i_i_i_a_i:C-I-O-Pt-S +mp-857343,Ge7H8N2O15,-6.3201829089,-1.6209227882,0.0,-0.0308669987,GGA,C2/c,A7B8C2D15_mC128_15_c3f_4f_f_e7f:Ge-H-N-O,64.0,"Invalid WP multiplicities - A7B8C2D15_mC128_15_2a8f_15f_f_2e27f:Ge-H-N-O, expected Ge9H15NO28 to be Ge7H8N2O15" +mp-1245591,KGeN,-4.79485388,-0.104879971,0.1823008528,0.1823008528,GGA,R3m,ABC_hR9_160_a_a_a:Ge-K-N,3.0,ABC_hR9_160_a_a_a:Ge-K-N +mp-1245592,KGeN,-4.7937468633,-0.1037729543,0.1834078695,0.1834078695,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ge-K-N,6.0,ABC_hP6_186_a_b_b:Ge-K-N +mp-697540,K3GeH2NO3,-5.270125334,-1.4785015495,0.0,-0.0174842907,GGA,P-1,AB2C3DE3_aP20_2_i_2i_3i_i_3i:Ge-H-K-N-O,20.0,AB2C3DE3_aP20_2_i_2i_3i_i_3i:Ge-H-K-N-O +mp-6955,KGeNO,-6.0335159375,-1.2793633279,0.0,-0.066846205,GGA,Pca2_1,ABCD_oP16_29_a_a_a_a:Ge-K-N-O,16.0,ABCD_oP16_29_a_a_a_a:Ge-K-N-O +mp-1029404,KGe2N3,-6.1937987725,-0.2994755338,0.0,-0.0127826079,GGA,Cmc2_1,A2BC3_oC24_36_b_a_ab:Ge-K-N,12.0,A2BC3_oC24_36_b_a_ab:Ge-K-N +mp-720197,K4GeH4N2O3,-5.0493443348,-1.1815883486,0.0,-0.001159267,GGA,P2_1/c,AB4C4D2E3_mP56_14_e_4e_4e_2e_3e:Ge-H-K-N-O,56.0,AB4C4D2E3_mP56_14_e_4e_4e_2e_3e:Ge-H-K-N-O +mp-1224666,Ge7HN3O20,-5.5788229671,-0.4273010306,1.2263003344,1.2263003344,GGA,P-43m,A7BC3D20_cP31_215_de_a_c_2ei:Ge-H-N-O,31.0,A7BC3D20_cP31_215_de_a_c_2ei:Ge-H-N-O +mp-1224236,K3W2(O2F3)2,-6.712104991,-2.6785659276,0.0,-0.0415724608,GGA+U,C2/c,A6B3C4D2_mC60_15_3f_af_2f_f:F-K-O-W,30.0,A6B3C4D2_mC60_15_3f_cf_2f_f:F-K-O-W +mp-1223393,KRb2W(OF)3,-6.257852041,-2.5974420052,0.0162834201,0.0162834201,GGA+U,Fmm2,A3BC3D2E_oF40_42_ac_a_ad_b_a:F-K-O-Rb-W,10.0,"Invalid WP multiplicities - A3BC3D2E_oF40_42_a2c_a_a2d_b_a:F-K-O-Rb-W, expected KRb2W(OF)5 to be KRb2W(OF)3" +mp-1219649,Rb2W(OF2)2,-6.28972956,-2.6832304858,0.0,-0.0236596516,GGA+U,C2/m,A4B2C2D_mC18_12_j_i_i_a:F-O-Rb-W,9.0,A4B2C2D_mC18_12_j_i_i_a:F-O-Rb-W +mp-555403,K3WF6,-5.628710442,-2.8528903544,0.0,-0.1059021545,GGA+U,Fm-3m,A6B3C_cF40_225_e_ac_b:F-K-W,10.0,A6B3C_cF40_225_e_ac_b:F-K-W +mp-777297,K5H(CN2)2,-5.6274418483,-0.5651058929,0.0,-0.0047589875,GGA,P4/ncc,A2BC5D4_tP48_130_f_c_cg_g:C-H-K-N,48.0,"Invalid WP multiplicities - A2BC5D4_tP48_130_f_c_2c3g_g:C-H-K-N, expected K14H(CN2)2 to be K5H(CN2)2" +mp-1211655,KH2CN5,-6.8822382997,-0.3481281714,0.0144623881,0.0144623881,GGA,P2_1/c,AB2CD5_mP36_14_e_2e_e_5e:C-H-K-N,36.0,AB2CD5_mP36_14_e_2e_e_5e:C-H-K-N +mp-1194573,KFeH24(C7N4)2,-6.0776788321,-0.1006138002,0.1979501475,0.1979501475,GGA,I4/m,A14BC24DE8_tI96_87_ehi_a_3i_b_deh:C-Fe-H-K-N,48.0,A14BC24DE8_tI96_87_ehi_a_3i_b_deh:C-Fe-H-K-N +mp-24625,KHCN2,-6.543559706,-0.4626036391,0.0105341793,0.0105341793,GGA,P2_12_12_1,ABCD2_oP40_19_2a_2a_2a_4a:C-H-K-N,40.0,ABCD2_oP40_19_2a_2a_2a_4a:C-H-K-N +mp-696886,KH(CN2)3,-7.0589084318,0.4145543881,0.7141697864000001,0.7141697864000001,GGA,P-1,A3BCD6_aP22_2_3i_i_i_6i:C-H-K-N,22.0,A3BCD6_aP22_2_3i_i_i_6i:C-H-K-N +mp-1191654,KH3CN,-5.0065110742,-0.1975548243,0.2042700469,0.2042700469,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:C-H-K-N,24.0,AB3CD_mP24_14_e_3e_e_e:C-H-K-N +mp-772857,K2GaPCO7,-6.8877443750000005,-2.3446041338,0.0268395608,0.0268395608,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ga-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ga-K-O-P, expected K2GaPCO13 to be K2GaPCO7" +mp-555554,KGa(PO3)4,-7.3488771419,-2.618212168,0.0,-0.0156533515,GGA,C2/m,ABC12D4_mC72_12_e_i_gi5j_2j:Ga-K-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_12_e_i_2h2i18j_5j:Ga-K-O-P, expected KGa(PO4)10 to be KGa(PO3)4" +mp-18348,KGaP2O7,-7.1513511416,-2.6429946905,0.0,-0.0053578375,GGA,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ga-K-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ga-K-O-P +mp-6805,K3Ga2(PO4)3,-6.8829578089000005,-2.6335797618,0.0,-0.0471124066,GGA,Pna2_1,A2B3C12D3_oP80_33_2a_3a_12a_3a:Ga-K-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_oP80_33_2a_3a_15a_3a:Ga-K-O-P, expected K3Ga2(PO5)3 to be K3Ga2(PO4)3" +mp-1180193,NiP6(N2O11)2,-6.4119802929,-0.944311109,0.9374264964,0.9374264964,GGA+U,P2_1/c,A4BC22D6_mP66_14_2e_a_11e_3e:N-Ni-O-P,66.0,A4BC22D6_mP66_14_2e_a_11e_3e:N-Ni-O-P +mp-25468,NiPO4F,-6.4853589443,-1.7865485158,0.2415876204,0.2415876204,GGA+U,P-1,ABC4D_aP14_2_i_ab_4i_i:F-Ni-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_ab_8i_i:F-Ni-O-P, expected NiPO8F to be NiPO4F" +mp-1181000,NiP4N2O19,-6.119285044,-0.8079995798,0.8594879842,0.8594879842,GGA+U,P-1,A2BC19D4_aP52_2_2i_be_19i_4i:N-Ni-O-P,52.0,A2BC19D4_aP52_2_2i_be_19i_4i:N-Ni-O-P +mp-1196542,NiP4N2O19,-6.4014093202,-1.0901238559,0.577363708,0.577363708,GGA+U,P-1,A2BC19D4_aP52_2_2i_be_19i_4i:N-Ni-O-P,52.0,A2BC19D4_aP52_2_2i_be_19i_4i:N-Ni-O-P +mp-1211010,NiPNO10,-5.6264222327,-0.3189744462,0.8214030409,0.8214030409,GGA+U,Pmn2_1,ABC10D_oP26_31_a_a_4a3b_a:N-Ni-O-P,26.0,ABC10D_oP26_31_a_a_4a3b_a:N-Ni-O-P +mp-1210409,NiPNO5,-6.9975576169,-1.4646354084,0.2599714564,0.2599714564,GGA+U,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:N-Ni-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:N-Ni-O-P +mp-1204236,Ni3P4(NO8)2,-7.0262940328,-1.6337488609,0.327433773,0.327433773,GGA+U,P2_1/c,A2B3C16D4_mP50_14_e_ae_8e_2e:N-Ni-O-P,50.0,A2B3C16D4_mP50_14_e_ae_8e_2e:N-Ni-O-P +mp-1180704,NiP2N2(O6F)2,-5.9199871305,-0.8429895509,0.7054512806000001,0.7054512806000001,GGA+U,P2_1/c,A2B2CD12E2_mP38_14_e_e_a_6e_e:F-N-Ni-O-P,38.0,A2B2CD12E2_mP38_14_e_e_a_6e_e:F-N-Ni-O-P +mp-1201910,NiP2N2(O6F)2,-5.6045173918,-0.5275198122,1.0209210192,1.0209210192,GGA+U,P2_1/c,A2B2CD12E2_mP38_14_e_e_a_6e_e:F-N-Ni-O-P,38.0,A2B2CD12E2_mP38_14_e_e_a_6e_e:F-N-Ni-O-P +mp-1210915,Ni5P4(O8F)2,-6.7457611211,-1.8004325751,0.2722086916,0.2722086916,GGA+U,Aea2,A2B5C16D4_oC108_41_b_a2b_8b_2b:F-Ni-O-P,54.0,A2B5C16D4_oC108_41_b_a2b_8b_2b:F-Ni-O-P +mp-720476,NiP3NO9,-7.0935760086,-1.7452376138,0.4440964261,0.4440964261,GGA+U,R32,ABC9D3_hR42_155_a_b_ef_d:N-Ni-O-P,14.0,ABC9D3_hR42_155_a_b_ef_d:N-Ni-O-P +mp-1204481,NiP2(NO4)2,-6.2300926448,-0.6259971653,1.1814829219,1.1814829219,GGA+U,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:N-Ni-O-P,52.0,A2BC8D2_mP52_14_2e_e_8e_2e:N-Ni-O-P +mp-1224221,K7Be12(PO4)12,-7.2582549581,-2.7639962843,0.0189417331,0.0189417331,GGA,I23,A12B7C48D12_cI158_197_f_bc_4f_f:Be-K-O-P,79.0,A12B7C48D12_cI158_197_f_bc_4f_f:Be-K-O-P +mp-560431,KBe(PO3)3,-7.4434345011,-2.7570118058,0.0,-0.0078391707,GGA,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Be-K-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_32a_9a:Be-K-O-P, expected KBeP9O32 to be KBe(PO3)3" +mp-555866,K6Be4C6O19,-7.212417864,-2.3273000466,0.0,-0.0735888778,GGA,R-3,A4B6C6D19_hR210_148_cf_2f_2f_c6f:Be-C-K-O,70.0,"Invalid WP multiplicities - A4B6C6D19_hR210_148_2c3f_6f_7f_2c32f:Be-C-K-O, expected K21Be11(C9O49)2 to be K6Be4C6O19" +mp-9872,K4BeP2,-3.0880146486,-0.3726412677,0.0,-0.1235182694,GGA,R-3m,AB4C2_hR21_166_a_2c_c:Be-K-P,7.0,AB4C2_hR21_166_a_2c_c:Be-K-P +mp-7324,KBePO4,-7.1857333243,-2.8928948723000003,0.0,-0.0839973243,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Be-K-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Be-K-O-P +mp-557246,K2Be(CO2)4,-7.4665153562,-1.9699565282,0.0419925925,0.0419925925,GGA,Pnma,AB4C2D8_oP60_62_c_2cd_d_4c2d:Be-C-K-O,60.0,"Invalid WP multiplicities - AB4C2D8_oP60_62_c_7c6d_d_16c11d:Be-C-K-O, expected K2Be(CO2)19 to be K2Be(CO2)4" +mp-772780,K3BePCO7,-6.7865539615,-2.4527540628,0.0823652256,0.0823652256,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Be-C-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Be-C-K-O-P, expected K4BePCO13 to be K3BePCO7" +mp-703376,UP3H7O8,-6.5117312322,-1.7299465199,0.0921168611,0.0921168611,GGA,P2_12_12_1,A7B8C3D_oP76_19_7a_8a_3a_a:H-O-P-U,76.0,A7B8C3D_oP76_19_7a_8a_3a_a:H-O-P-U +mp-703352,UP2H6O7,-6.6550833523,-1.8362588353,0.0870563008,0.0870563008,GGA,P2_1/c,A6B7C2D_mP64_14_6e_7e_2e_e:H-O-P-U,64.0,A6B7C2D_mP64_14_6e_7e_2e_e:H-O-P-U +mp-1211200,MgU2P2(H10O11)2,-6.4888549426,-1.9847830781,0.0,-0.0018740357,GGA,P2_1/c,A20BC22D2E2_mP94_14_10e_a_11e_e_e:H-Mg-O-P-U,94.0,A20BC22D2E2_mP94_14_10e_a_11e_e_e:H-Mg-O-P-U +mp-703348,UP3HO11,-8.0744284193,-2.7408272069,0.0,-0.0840301956,GGA,P2_1/c,AB11C3D_mP128_14_2e_22e_6e_2e:H-O-P-U,128.0,AB11C3D_mP128_14_2e_22e_6e_2e:H-O-P-U +mp-1197247,MgU2(PO11)2,-6.8511484476,-1.5238574576,0.4972728457,0.4972728457,GGA,P2_1/c,AB22C2D2_mP54_14_a_11e_e_e:Mg-O-P-U,54.0,AB22C2D2_mP54_14_a_11e_e_e:Mg-O-P-U +mp-29975,K3BS3,-4.4576162371,-1.2547679211,0.0,-0.0841458617,GGA,P2_1/c,AB3C3_mP28_14_e_3e_3e:B-K-S,28.0,AB3C3_mP28_14_e_3e_3e:B-K-S +mp-1019797,K5B(SO4)4,-6.3869910212,-2.2360600461,0.0,-0.0027452628,GGA,P4_1,AB5C16D4_tP104_76_a_5a_16a_4a:B-K-O-S,104.0,AB5C16D4_tP104_76_a_5a_16a_4a:B-K-O-S +mp-1212598,K2B2(SO4)3,-6.4775636099,-1.8802375272,0.3344619718,0.3344619718,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:B-K-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:B-K-O-S +mp-1200783,KB6S4(Cl3O4)2,-5.7110421934,-1.3751510458,0.5650621838000001,0.5650621838000001,GGA,P2_1/c,A6B6CD8E4_mP100_14_6e_6e_e_8e_4e:B-Cl-K-O-S,100.0,A6B6CD8E4_mP100_14_6e_6e_e_8e_4e:B-Cl-K-O-S +mp-1019805,KB(S2O7)2,-6.6141988484,-1.9347372412,0.0,-0.0181324051,GGA,Cc,ABC14D4_mC160_9_2a_2a_28a_8a:B-K-O-S,80.0,ABC14D4_mC160_9_2a_2a_28a_8a:B-K-O-S +mp-560423,KBS4(ClO3)4,-5.8838067245,-1.7433521173000002,0.0,-0.0014670144,GGA,Cc,AB4CD12E4_mC88_9_a_4a_a_12a_4a:B-Cl-K-O-S,44.0,"Invalid WP multiplicities - AB4CD12E4_mC88_9_a_6a_a_23a_8a:B-Cl-K-O-S, expected KBS8Cl6O23 to be KBS4(ClO3)4" +mp-1019789,K3B(SO4)3,-6.5208474893,-2.2166262921,0.0,-0.0069942437,GGA,Ibca,AB3C12D3_oI152_73_d_cf_6f_cf:B-K-O-S,76.0,AB3C12D3_oI152_73_d_cf_6f_cf:B-K-O-S +mp-1019804,KB(SO4)2,-6.778419176,-2.1420691642,0.0,-0.0281411046,GGA,P4/ncc,ABC8D2_tP48_130_b_c_2g_f:B-K-O-S,48.0,ABC8D2_tP48_130_b_c_2g_f:B-K-O-S +mp-4351,K2B2S7,-5.0254630009,-0.9768511369,0.0,-0.0404795702,GGA,C2/c,A2B2C7_mC44_15_f_f_e3f:B-K-S,22.0,"Invalid WP multiplicities - A2B2C7_mC44_15_f_f_2e5f:B-K-S, expected KBS6 to be K2B2S7" +mp-15012,KBS2,-5.1472451946,-1.1315725817,0.0,-0.0932227948,GGA,R-3c,ABC2_hR72_167_e_e_2e:B-K-S,24.0,ABC2_hR72_167_e_e_2e:B-K-S +mp-1192398,K3Tm(PO4)2,-7.1458207436,-2.9881673887,0.0,-0.0265700829,GGA,P2_1/m,A3B8C2D_mP28_11_3e_4e2f_2e_e:K-O-P-Tm,28.0,A3B8C2D_mP28_11_3e_4e2f_2e_e:K-O-P-Tm +mp-1211744,KTmP2O7,-7.7988831432,-3.1589140193,0.0,-0.0144657991,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Tm,44.0,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-Tm +mp-1211338,KTm(CO3)2,-7.9543894715,-2.5820197092,0.0,-0.1266749323,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Tm,20.0,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Tm +mp-772802,K2TmPCO7,-7.4685718642,-2.8047866729,0.0152065044,0.0152065044,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Tm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Tm, expected K2TmPCO13 to be K2TmPCO7" +mp-707009,BH2OF3,-5.8391622529,-2.3897380422,0.0,-0.0088943165,GGA,P2_1/c,AB3C2D_mP28_14_e_3e_2e_e:B-F-H-O,28.0,AB3C2D_mP28_14_e_3e_2e_e:B-F-H-O +mp-1201107,ZnB10(H13O4)2,-5.0576944841,-0.7057378579,0.2046805781,0.2046805781,GGA,C2/c,A10B26C8D_mC180_15_5f_13f_4f_c:B-H-O-Zn,90.0,A10B26C8D_mC180_15_5f_13f_4f_a:B-H-O-Zn +mp-696656,BH4O2F3,-5.656696543,-2.0688855154,0.0,-0.0047181343,GGA,P2_1/c,AB3C4D2_mP40_14_e_3e_4e_2e:B-F-H-O,40.0,AB3C4D2_mP40_14_e_3e_4e_2e:B-F-H-O +mp-1196460,ZnB3H3O7,-6.9276373536,-2.206000351,0.0082010453,0.0082010453,GGA,P2_1/c,A3B3C7D_mP56_14_3e_3e_7e_e:B-H-O-Zn,56.0,A3B3C7D_mP56_14_3e_3e_7e_e:B-H-O-Zn +mp-555808,Zn8B3H3O14,-5.8992710557,-1.9868444741,0.024181199,0.024181199,GGA,R32,A3B3C14D8_hR84_155_d_e_cdef_cf:B-H-O-Zn,28.0,"Invalid WP multiplicities - A3B3C14D8_hR84_155_d_e_2c3d3e4f_2c2f:B-H-O-Zn, expected Zn16B3H3O46 to be Zn8B3H3O14" +mp-696379,BH3OF4,-5.5601996267,-2.287958017,0.0,-0.0328250224,GGA,P-1,AB4C3D_aP18_2_i_4i_3i_i:B-F-H-O,18.0,AB4C3D_aP18_2_i_4i_3i_i:B-F-H-O +mp-1216191,Zn6B3HO11,-6.2232958433,-2.1564892318,0.0,-0.0063956616,GGA,R3c,A3BC11D6_hR126_161_b_a_2a3b_2b:B-H-O-Zn,42.0,"Invalid WP multiplicities - A3BC11D6_hR126_161_b_a_4a5b_4b:B-H-O-Zn, expected Zn12B3HO19 to be Zn6B3HO11" +mp-1215828,Zn8B4H3O15F,-6.0845238029,-2.1140236824,0.0047832361,0.0047832361,GGA,P1,A4BC3D15E8_aP31_1_4a_a_3a_15a_8a:B-F-H-O-Zn,31.0,A4BC3D15E8_aP31_1_4a_a_3a_15a_8a:B-F-H-O-Zn +mp-676956,Zn8B4H3O15F,-6.0718968721,-2.1013967516,0.0174101669,0.0174101669,GGA,P2_1,A4BC3D15E8_mP62_4_4a_a_3a_15a_8a:B-F-H-O-Zn,62.0,"Invalid WP multiplicities - A4BC3D15E8_mP62_4_7a_a_5a_30a_16a:B-F-H-O-Zn, expected Zn16B7H5O30F to be Zn8B4H3O15F" +mp-1195627,ZnB12(H5O12)2,-7.2837208788,-2.303715892,0.0050514003,0.0050514003,GGA,P2_1/c,A12B10C24D_mP94_14_6e_5e_12e_a:B-H-O-Zn,94.0,A12B10C24D_mP94_14_6e_5e_12e_a:B-H-O-Zn +mp-1196968,BH5(OF2)2,-5.472889321,-2.0410297137,0.0,-0.0004757685,GGA,P2_1/c,AB4C5D2_mP48_14_e_4e_5e_2e:B-F-H-O,48.0,AB4C5D2_mP48_14_e_4e_5e_2e:B-F-H-O +mp-1213578,KInH8(SO6)2,-5.7665944017,-1.6567170973,0.0042092694,0.0042092694,GGA,P2_1,A8BCD12E2_mP96_4_16a_2a_2a_24a_4a:H-In-K-O-S,96.0,A8BCD12E2_mP96_4_16a_2a_2a_24a_4a:H-In-K-O-S +mp-1204865,K2CeH2S3O13,-6.6029184279,-2.2383640476,0.0,-0.0180750964,GGA,C2,AB2C2D13E3_mC168_5_2c_4c_ab3c_26c_6c:Ce-H-K-O-S,84.0,AB2C2D13E3_mC168_5_2c_4c_ab3c_26c_6c:Ce-H-K-O-S +mp-710070,K5Ce2H2S6O25,-6.6610605772,-2.3438220243,0.0,-0.0142940447,GGA,Cc,A2B2C5D25E6_mC160_9_2a_2a_5a_25a_6a:Ce-H-K-O-S,80.0,A2B2C5D25E6_mC160_9_2a_2a_5a_25a_6a:Ce-H-K-O-S +mp-510463,KCeH2S2O9,-6.7125364048,-2.271067183,0.0003562457,0.0003562457,GGA,P2_1/c,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Ce-H-K-O-S,60.0,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Ce-H-K-O-S +mp-1204204,NdP2(HO4)2,-6.4745523217,-1.7088819967000002,0.8882074634,0.8882074634,GGA,P2_12_12_1,A2BC8D2_oP52_19_2a_a_8a_2a:H-Nd-O-P,52.0,A2BC8D2_oP52_19_2a_a_8a_2a:H-Nd-O-P +mp-706408,NdP3(H4O5)3,-6.291094184,-1.9065426304,0.1043745199,0.1043745199,GGA,P2_1/c,A12BC15D3_mP124_14_12e_e_15e_3e:H-Nd-O-P,124.0,A12BC15D3_mP124_14_12e_e_15e_3e:H-Nd-O-P +mp-1196735,NdP3(H5O7)2,-6.4869976541,-2.0516777484,0.0373318802,0.0373318802,GGA,P2_1/c,A10BC14D3_mP112_14_10e_e_14e_3e:H-Nd-O-P,112.0,A10BC14D3_mP112_14_10e_e_14e_3e:H-Nd-O-P +mp-707307,Nd2P3(HO2)5,-7.0882812835,-2.4779452974,0.0,-0.0024116734,GGA,P2_1/c,A5B2C10D3_mP80_14_5e_2e_10e_3e:H-Nd-O-P,80.0,A5B2C10D3_mP80_14_5e_2e_10e_3e:H-Nd-O-P +mp-23970,NdP2H9O10,-6.282575948,-1.9372953133,0.0543979681,0.0543979681,GGA,Pnna,A9BC10D2_oP88_52_c4e_d_5e_e:H-Nd-O-P,88.0,A9BC10D2_oP88_52_c4e_d_5e_e:H-Nd-O-P +mp-1220628,NdP2(HO2)3,-7.0214590765,-2.4003705058,0.0,-0.0256213086,GGA,P2_1/c,A3BC6D2_mP48_14_3e_e_6e_2e:H-Nd-O-P,48.0,A3BC6D2_mP48_14_3e_e_6e_2e:H-Nd-O-P +mp-1237301,NdP2(HO2)3,-6.1369196058,-1.5158310351000002,0.8845394706,0.858918162,GGA,P2_1/c,A3BC6D2_mP48_14_3e_e_6e_2e:H-Nd-O-P,48.0,A3BC6D2_mP48_14_3e_e_6e_2e:H-Nd-O-P +mp-1212504,Nd2P3H5WO9,-6.987212888,-1.9763048259,0.3235261547,0.3235261547,GGA+U,P2_1/c,A5B2C9D3E_mP80_14_5e_2e_9e_3e_e:H-Nd-O-P-W,80.0,A5B2C9D3E_mP80_14_5e_2e_9e_3e_e:H-Nd-O-P-W +mp-1191473,NdP3(HO2)6,-6.8401977886,-2.261803436,0.0472849948,0.0472849948,GGA,P-6,A6BC12D3_hP22_174_l_a_jkl_k:H-Nd-O-P,22.0,A6BC12D3_hP22_174_l_a_jkl_k:H-Nd-O-P +mp-1211570,NdP2H2(WO3)2,-7.4196921927,-1.4214924032,0.786679742,0.786679742,GGA+U,P2_12_12_1,A2BC6D2E2_oP52_19_2a_a_6a_2a_2a:H-Nd-O-P-W,52.0,A2BC6D2E2_oP52_19_2a_a_6a_2a_2a:H-Nd-O-P-W +mp-1211975,K2B(PO4)2,-7.1604366454,-2.5988747709,0.0211656793,0.0211656793,GGA,I-42d,AB2C8D2_tI52_122_a_d_2e_d:B-K-O-P,26.0,AB2C8D2_tI52_122_a_d_2e_d:B-K-O-P +mp-1223679,KBP2PbO8,-7.3858191881,-2.6240843811,0.0,-0.0158583985,GGA,Cc,ABC8D2E_mC52_9_a_a_8a_2a_a:B-K-O-P-Pb,26.0,"Invalid WP multiplicities - ABC8D2E_mC52_9_a_a_16a_4a_a:B-K-O-P-Pb, expected KBP4PbO16 to be KBP2PbO8" +mp-557828,HoPH5CO7,-6.7349663397,-2.0139778015,0.1194824892,0.1194824892,GGA,P-1,AB5CD7E_aP30_2_i_5i_i_7i_i:C-H-Ho-O-P,30.0,"Invalid WP multiplicities - AB5CD7E_aP30_2_i_10i_i_14i_i:C-H-Ho-O-P, expected HoPH10CO14 to be HoPH5CO7" +mp-697339,Ho2H4CO7,-7.1952902596,-2.4387753746,0.0,-0.0610997538,GGA,P2_1/c,AB4C2D7_mP56_14_e_4e_2e_7e:C-H-Ho-O,56.0,AB4C2D7_mP56_14_e_4e_2e_7e:C-H-Ho-O +mp-1225006,HoP2(HO2)5,-6.7810749747,-2.2344343513,0.0,-0.0148919706,GGA,P-1,A5BC10D2_aP36_2_5i_i_10i_2i:H-Ho-O-P,36.0,A5BC10D2_aP36_2_5i_i_10i_2i:H-Ho-O-P +mp-1197626,HoH15(CO5)3,-6.2072069718,-1.5789826573,0.048930887,0.048930887,GGA,P-1,A3B15CD15_aP68_2_3i_15i_i_15i:C-H-Ho-O,68.0,A3B15CD15_aP68_2_3i_15i_i_15i:C-H-Ho-O +mp-1195109,HoP4HO12,-7.732404436,-2.7885927984,0.0,-0.0062142639,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:H-Ho-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:H-Ho-O-P +mp-1199137,P2H12C4O3,-5.6024634995,-0.6836994206,0.0109824743,0.0109824743,GGA,C2/c,A4B12C3D2_mC84_15_2f_6f_ef_f:C-H-O-P,42.0,A4B12C3D2_mC84_15_2f_6f_ef_f:C-H-O-P +mp-1204941,PH5CO3,-5.8808168781,-1.2362504423,0.0,-0.0202932306,GGA,P2_1/c,AB5C3D_mP80_14_2e_10e_6e_2e:C-H-O-P,80.0,AB5C3D_mP80_14_2e_10e_6e_2e:C-H-O-P +mp-1203894,HoP2H7O10,-6.2515613206000005,-1.8203121551,0.3695840906,0.3695840906,GGA,Pnna,A7BC10D2_oP80_52_c3e_d_5e_e:H-Ho-O-P,80.0,A7BC10D2_oP80_52_c3e_d_5e_e:H-Ho-O-P +mp-1105335,KYMnWO6,-8.596536513,-2.658821728,0.0088834389,0.0088834389,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:K-Mn-O-W-Y,20.0,ABC6DE_mP20_4_a_a_6a_a_a:K-Mn-O-W-Y +mp-559272,K3Sb7(SO3)3,-5.6453365898,-1.5924387024,0.0072827934,0.0072827934,GGA,P6_3,A3B9C3D7_hP44_173_c_3c_c_b2c:K-O-S-Sb,44.0,"Invalid WP multiplicities - A3B9C3D7_hP44_173_c_13c_c_b5c:K-O-S-Sb, expected K3Sb16(SO13)3 to be K3Sb7(SO3)3" +mp-695307,K6Sb2H18S8O9,-4.3189158042,-0.7467934249,0.4815697508,0.4815697508,GGA,P2_1,A18B6C9D8E2_mP86_4_18a_6a_9a_8a_2a:H-K-O-S-Sb,86.0,A18B6C9D8E2_mP86_4_36a_12a_18a_16a_4a:H-K-O-S-Sb +mp-1224526,K6Sb2H18S8O9,-4.7799538447,-1.2078314654,0.0205317103,0.0205317103,GGA,Pc,A18B6C9D8E2_mP86_7_18a_6a_9a_8a_2a:H-K-O-S-Sb,86.0,"Invalid WP multiplicities - A18B6C9D8E2_mP86_7_26a_9a_13a_12a_3a:H-K-O-S-Sb, expected K9Sb3H26S12O13 to be K6Sb2H18S8O9" +mp-727831,K2Sb4S7O,-4.4163321471,-0.6564292448,0.2991822263,0.2991822263,GGA,P-1,A2BC7D4_aP28_2_2i_i_7i_4i:K-O-S-Sb,28.0,A2BC7D4_aP28_2_2i_i_7i_4i:K-O-S-Sb +mp-1195296,KSb(SO4)2,-6.3875645096,-1.963747042,0.0,-0.014815575,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:K-O-S-Sb,48.0,AB8C2D_mP48_14_e_8e_2e_e:K-O-S-Sb +mp-1202539,B20H42N4O3,-5.0415315825,-0.3419899138,0.1840353036,0.1840353036,GGA,P2_1/c,A20B42C4D3_mP276_14_20e_42e_4e_3e:B-H-N-O,276.0,A20B42C4D3_mP276_14_20e_42e_4e_3e:B-H-N-O +mp-1200137,B3H4NO5,-7.0816952658,-1.952540037,0.0,-0.0162332014,GGA,C2/c,A3B4CD5_mC104_15_3f_4f_f_5f:B-H-N-O,52.0,A3B4CD5_mC104_15_3f_4f_f_5f:B-H-N-O +mp-1204992,CeH16N7O19,-6.0564993663,-1.1132608578,0.1005598416,0.1005598416,GGA,Cc,AB16C7D19_mC172_9_a_16a_7a_19a:Ce-H-N-O,86.0,AB16C7D19_mC172_9_a_16a_7a_19a:Ce-H-N-O +mp-721905,B5H4NO10,-7.0657429709,-1.8271807173,0.3559381067,0.3559381067,GGA,P2_1/c,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-N-O,80.0,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-N-O +mp-703444,B5H12NO12,-6.572641609,-1.8457605805,0.0,-0.0054304981,GGA,Aea2,A5B12CD12_oC120_41_a2b_6b_a_6b:B-H-N-O,60.0,A5B12CD12_oC120_41_a2b_6b_a_6b:B-H-N-O +mp-1198651,CeB5H7NO15,-7.1623894791,-2.1411496198,0.0309076203,0.0309076203,GGA,P2_1/c,A5BC7DE15_mP116_14_5e_e_7e_e_15e:B-Ce-H-N-O,116.0,A5BC7DE15_mP116_14_5e_e_7e_e_15e:B-Ce-H-N-O +mp-721584,B5H8NO12,-6.6304236158,-1.6982879745,0.287562779,0.287562779,GGA,C2/c,A5B8CD12_mC104_15_e2f_4f_e_6f:B-H-N-O,52.0,A5B8CD12_mC104_15_e2f_4f_e_6f:B-H-N-O +mp-1204578,B6H6NO6,-6.1348478784000005,-0.9533039791,0.720462938,0.720462938,GGA,P2_1/c,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-N-O,76.0,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-N-O +mp-1196660,B5H4NO8,-7.4637491982,-2.192756551,0.0,-0.0051388337,GGA,Pbca,A5B4CD8_oP144_61_5c_4c_c_8c:B-H-N-O,144.0,A5B4CD8_oP144_61_5c_4c_c_8c:B-H-N-O +mp-558970,H16C3NF7,-4.9097520509,-1.0695127585,0.0515854404,0.0515854404,GGA,P6_3,A3B7C16D_hP54_173_c_a2c_b5c_b:C-F-H-N,54.0,"Invalid WP multiplicities - A3B7C16D_hP54_173_c_a7c_2b22c_b:C-F-H-N, expected H68C3NF22 to be H16C3NF7" +mp-1214170,Cd3H16C8(N10F)2,-6.5466603264,-0.3949365229,0.0265792124,0.0265792124,GGA,P2_1/c,A8B3C2D16E20_mP98_14_4e_ae_e_8e_10e:C-Cd-F-H-N,98.0,A8B3C2D16E20_mP98_14_4e_ae_e_8e_10e:C-Cd-F-H-N +mp-1096996,H6CNF,-5.0998240744,-0.6739356683000001,0.1079716962,0.1079716962,GGA,Pbcm,ABC6D_oP36_57_d_d_2d2e_d:C-F-H-N,36.0,ABC6D_oP36_57_d_d_2d2e_d:C-F-H-N +mp-554051,H6CNF,-5.1345527167,-0.7086643106,0.073243054,0.073243054,GGA,R3m,ABC6D_hR27_160_a_a_2b_a:C-F-H-N,9.0,"Invalid WP multiplicities - ABC6D_hR27_160_a_a_4b_a:C-F-H-N, expected H12CNF to be H6CNF" +mp-554840,H13C4NF2,-5.1741484005,-0.5151707297,0.1223658475,0.1223658475,GGA,Pmmn,A4B2C13D_oP40_59_ef_e_aef2g_b:C-F-H-N,40.0,"Invalid WP multiplicities - A4B2C13D_oP40_59_3e2f_e_2a4e4f10g_b:C-F-H-N, expected H58C10NF2 to be H13C4NF2" +mp-554928,H12C3NF3,-5.0912016789,-0.7506942661,0.0816710094,0.0816710094,GGA,Pnma,A3B3C12D_oP76_62_cd_cd_2c5d_c:C-F-H-N,76.0,"Invalid WP multiplicities - A3B3C12D_oP76_62_3c4d_4c5d_8c36d_c:C-F-H-N, expected H80C11NF14 to be H12C3NF3" +mp-601774,H14C4NF3,-5.126341844,-0.6498073701,0.0979602428,0.0979602428,GGA,Pbca,A4B3C14D_oP176_61_4c_3c_14c_c:C-F-H-N,176.0,"Invalid WP multiplicities - A4B3C14D_oP176_61_26c_17c_102c_c:C-F-H-N, expected H102C26NF17 to be H14C4NF3" +mp-561300,H14C3NF5,-4.9851103998,-0.9382386228,0.0680126634,0.0680126634,GGA,P-1,A3B5C14D_aP46_2_3i_5i_14i_i:C-F-H-N,46.0,"Invalid WP multiplicities - A3B5C14D_aP46_2_6i_9i_27i_i:C-F-H-N, expected H27C6NF9 to be H14C3NF5" +mp-1201932,CdH5N2F3,-4.8936344316,-1.2305483645,0.0888516017,0.0888516017,GGA,Pnma,AB3C5D2_oP44_62_c_3c_c2d_2c:Cd-F-H-N,44.0,AB3C5D2_oP44_62_c_3c_c2d_2c:Cd-F-H-N +mp-1212737,HC12N3F10,-6.8668070956000005,-0.77984608,0.3139869368,0.3139869368,GGA,P2_1/c,A12B10CD3_mP104_14_12e_10e_e_3e:C-F-H-N,104.0,A12B10CD3_mP104_14_12e_10e_e_3e:C-F-H-N +mp-708997,H13C3NF4,-5.0315195561,-0.8518126105,0.0774776834,0.0774776834,GGA,P-1,A3B4C13D_aP84_2_6i_8i_26i_2i:C-F-H-N,84.0,A3B4C13D_aP84_2_6i_8i_26i_2i:C-F-H-N +mp-1202089,K6Co2C12O31,-6.691355247,-1.1037010268,0.7107193711,0.7107193711,GGA+U,P-1,A12B2C6D31_aP102_2_12i_2i_6i_31i:C-Co-K-O,102.0,A12B2C6D31_aP102_2_12i_2i_6i_31i:C-Co-K-O +mp-1649964,K3CoPCO7,-6.8313437310000005,-2.2383972991,0.007304704,0.007304704,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-K-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-K-O-P +mp-1580470,K3CoPCO7,-6.8355901731,-2.2426437412,0.0030582619,0.0030582619,GGA+U,P-1,ABC3D7E_aP52_2_2i_2i_6i_14i_2i:C-Co-K-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-K-O-P +mp-1649942,K3CoPCO7,-6.8343315419,-2.2413851101,0.004316893,0.004316893,GGA+U,P2_1,ABC3D7E_mP52_4_2a_2a_6a_14a_2a:C-Co-K-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-K-O-P +mp-756790,K3CoPCO7,-6.8352277185,-2.2422812866,0.0034207165,0.0034207165,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-K-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-K-O-P +mp-773502,KCoPCO7,-7.1967411918,-1.9706043082,0.0304204395,0.0304204395,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Co-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Co-K-O-P, expected KCoPCO13 to be KCoPCO7" +mp-773463,K2CoPCO7,-6.9897271963000005,-2.106568474,0.0319593669,0.0319593669,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Co-K-O-P, expected K2CoPCO13 to be K2CoPCO7" +mp-649632,KCo(CO)4,-7.4644456618,-0.972432306,0.3595282114,0.3595282114,GGA+U,P1,A4BCD4_aP40_1_16a_4a_4a_16a:C-Co-K-O,40.0,"Invalid WP multiplicities - A4BCD4_mC80_15_15f_f_f_11f:C-Co-K-O, expected KCoC15O11 to be KCo(CO)4" +mp-1180982,KCo(CO)4,-7.4662244202,-0.9742110645,0.3577494529,0.3577494529,GGA+U,C2/c,A4BCD4_mC80_15_4f_f_f_4f:C-Co-K-O,40.0,"Invalid WP multiplicities - A4BCD4_mC80_15_15f_f_f_11f:C-Co-K-O, expected KCoC15O11 to be KCo(CO)4" +mp-1198626,K3Co(C3O7)2,-6.9773079007,-1.3495933362,0.5120748938,0.5120748938,GGA+U,C2/c,A6BC3D14_mC192_15_6f_f_2e2f_14f:C-Co-K-O,96.0,A6BC3D14_mC192_15_6f_f_2e2f_14f:C-Co-K-O +mp-1204325,K3Co(C3O7)2,-7.067110589,-1.4393960245,0.4222722055,0.4222722055,GGA+U,P3_121,A6BC3D14_hP144_152_6c_c_ab2c_ab13c:C-Co-K-O,144.0,A6BC3D14_hP144_152_6c_c_ab2c_ab13c:C-Co-K-O +mp-722318,TmH16C4N11O13,-6.5699756197,-0.9770309189,0.1832117399,0.1832117399,GGA,P-1,A4B16C11D13E_aP90_2_4i_16i_11i_13i_i:C-H-N-O-Tm,90.0,A4B16C11D13E_aP90_2_4i_16i_11i_13i_i:C-H-N-O-Tm +mp-1190222,TmH9C5(NO4)2,-6.7527403408,-1.2567324676,0.1066866826,0.1066866826,GGA,C2,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Tm,25.0,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Tm +mp-1195360,TmH9C5(NO4)2,-6.762564492,-1.2665566188,0.0968625314,0.0968625314,GGA,C222_1,A5B9C2D8E_oC100_20_2abc_2ab3c_c_4c_a:C-H-N-O-Tm,50.0,A5B9C2D8E_oC100_20_2abc_2ab3c_c_4c_a:C-H-N-O-Tm +mp-13039,Tm2C(NO)2,-8.92231885,-2.5299326198000003,0.0,-0.0618265698,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Tm,7.0,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Tm +mp-642999,TmH3(CO2)3,-7.2863848562,-1.7463739097,0.0974374395,0.0974374395,GGA,R3m,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Tm,13.0,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Tm +mp-24112,Rb2ZnH12(SO7)2,-5.549646516,-1.6315798712,0.0,-0.007747158,GGA,P2_1/c,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-Rb-S-Zn,62.0,"Invalid WP multiplicities - A12B14C2D2E_mP62_14_8e_12e_e_e_a:H-O-Rb-S-Zn, expected Rb2ZnH16(SO12)2 to be Rb2ZnH12(SO7)2" +mp-6847,KY2Ti2S2O5,-8.3337117608,-3.0969893861,0.0315826572,0.0315826572,GGA,P4/mmm,AB5C2D2E2_tP12_123_c_bi_g_g_h:K-O-S-Ti-Y,12.0,"Invalid WP multiplicities - AB5C2D2E2_tP12_123_c_b2i_g_g_h:K-O-S-Ti-Y, expected KY2Ti2S2O9 to be KY2Ti2S2O5" +mp-554684,K2SrV3O9,-7.6633325435,-2.6178520129,0.0,-0.0037719851,GGA+U,Pnma,A2B9CD3_oP60_62_2c_5c2d_c_3c:K-O-Sr-V,60.0,"Invalid WP multiplicities - A2B9CD3_oP60_62_2c_18c13d_c_8c:K-O-Sr-V, expected K2SrV8O44 to be K2SrV3O9" +mp-1200300,K2SrVB5O12,-7.8714385112,-2.835656568,0.0,-0.0041477565,GGA+U,P2_1,A5B2C12DE_mP42_4_5a_2a_12a_a_a:B-K-O-Sr-V,42.0,A5B2C12DE_mP42_4_5a_2a_12a_a_a:B-K-O-Sr-V +mp-19075,K2SrV4O12,-7.8099219687,-2.5674914338,0.0,-0.0126835555,GGA+U,P4/nbm,A2B12CD4_tP38_125_e_mn_a_l:K-O-Sr-V,38.0,"Invalid WP multiplicities - A2B12CD4_tP38_125_e_m2n_a_l:K-O-Sr-V, expected K2SrV4O20 to be K2SrV4O12" +mp-556966,KSrVO4,-7.3152567025,-2.7908919432,0.0,-0.050693105,GGA+U,P2_12_12_1,AB4CD_oP28_19_a_4a_a_a:K-O-Sr-V,28.0,"Invalid WP multiplicities - AB4CD_oP28_19_a_13a_a_a:K-O-Sr-V, expected KSrVO13 to be KSrVO4" +mp-17541,KSrVO4,-7.312754467099999,-2.7883897078,0.0025022354,-0.0481908696,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_c:K-O-Sr-V,28.0,AB4CD_oP28_62_c_2cd_c_c:K-O-Sr-V +mp-604368,K2NaV5H10O19,-6.6991481381,-1.9186832867,0.02272661,0.02272661,GGA+U,P-1,A10B2CD19E5_aP74_2_10i_2i_i_19i_5i:H-K-Na-O-V,74.0,"Invalid WP multiplicities - A10B2CD19E5_aP74_2_20i_3i_i_36i_8i:H-K-Na-O-V, expected K3NaV8(H5O9)4 to be K2NaV5H10O19" +mp-1195575,KNaV4H4O11,-7.199240556,-2.1157630072,0.006353407,0.006353407,GGA+U,C2/c,A4BCD11E4_mC84_15_2f_e_e_e5f_2f:H-K-Na-O-V,42.0,A4BCD11E4_mC84_15_2f_e_e_e5f_2f:H-K-Na-O-V +mp-558666,KVOF4,-6.1949621671,-2.9396893674,0.0,-0.128823261,GGA+U,P2_1/c,A4BCD_mP28_14_4e_e_e_e:F-K-O-V,28.0,"Invalid WP multiplicities - A4BCD_mP28_14_14e_e_e_e:F-K-O-V, expected KVOF14 to be KVOF4" +mp-1192089,KVOF3,-6.4627026142,-2.9834641757,0.0,-0.0005894421,GGA+U,C2/m,A3BCD_mC48_12_2i2j_2i_j_j:F-K-O-V,24.0,A3BCD_mC48_12_2i2j_2i_j_j:F-K-O-V +mp-1195873,KVOF3,-6.4620225844,-2.9827841459,0.0006800298,9.05877e-05,GGA+U,Pnma,A3BCD_oP48_62_2c2d_2c_d_d:F-K-O-V,48.0,A3BCD_oP48_62_2c2d_2c_d_d:F-K-O-V +mp-1224144,K2VOF4,-6.0046766403,-3.0175130722,0.0008429491,-0.0373914537,GGA+U,P2_12_12_1,A4B2CD_oP32_19_4a_2a_a_a:F-K-O-V,32.0,A4B2CD_oP32_19_4a_2a_a_a:F-K-O-V +mp-1224276,K2VOF4,-6.0055195894,-3.0183560212,0.0,-0.0382344027,GGA+U,Pna2_1,A4B2CD_oP32_33_4a_2a_a_a:F-K-O-V,32.0,A4B2CD_oP32_33_4a_2a_a_a:F-K-O-V +mp-18832,K2VO2F3,-6.1706188797,-2.8040540936,0.0,-0.028464173,GGA+U,Pnma,A3B2C2D_oP32_62_a2c_2c_d_c:F-K-O-V,32.0,"Invalid WP multiplicities - A3B2C2D_oP32_62_2a4c_2c_d_c:F-K-O-V, expected K2V(OF3)2 to be K2VO2F3" +mp-1204947,KV5NiO22,-6.7680023307,-1.2115465505,0.4196445857,0.4196445857,GGA+U,P-1,ABC22D5_aP58_2_i_i_22i_5i:K-Ni-O-V,58.0,ABC22D5_aP58_2_i_i_22i_5i:K-Ni-O-V +mp-1205287,KV5NiO22,-6.598267001,-1.0418112209,0.5893799153,0.5893799153,GGA+U,P-1,ABC22D5_aP58_2_i_i_22i_5i:K-Ni-O-V,58.0,ABC22D5_aP58_2_i_i_22i_5i:K-Ni-O-V +mp-1223516,KVNiOF6,-5.6357065605,-2.3967061392,0.3568814075,0.3568814075,GGA+U,Imma,A6BCDE_oI40_74_2ej_a_c_e_b:F-K-Ni-O-V,20.0,"Invalid WP multiplicities - A6BCDE_oI40_74_4e2j_a_c_e_b:F-K-Ni-O-V, expected KVNiOF12 to be KVNiOF6" +mp-6872,K3SiN(OF2)3,-5.8127380654,-2.7125987986,0.0034386023,0.0034386023,GGA,P6_3/mmc,A6B3CD3E_hP28_194_k_bf_c_h_a:F-K-N-O-Si,28.0,A6B3CD3E_hP28_194_k_bf_c_h_a:F-K-N-O-Si +mp-647102,KNOF2,-5.325387706,-1.6820796024,0.0,-0.0084403855,GGA,Pnma,A2BCD_oP20_62_d_c_c_c:F-K-N-O,20.0,A2BCD_oP20_62_d_c_c_c:F-K-N-O +mp-1194454,SiN4(OF2)3,-4.8493261507,-0.2007377458,1.4703893141,1.4703893141,GGA,P6_3/mmc,A6B4C3D_hP28_194_k_bcf_h_a:F-N-O-Si,28.0,A6B4C3D_hP28_194_k_bcf_h_a:F-N-O-Si +mp-1216492,V3P4WO20,-8.199126025,-2.4563820003,0.0472507324,0.0472507324,GGA+U,P2,A20B4C3D_mP28_3_ab9e_cde_ae_b:O-P-V-W,28.0,"Invalid WP multiplicities - A20B4C3D_mP28_3_ab15e_cde_ae_b:O-P-V-W, expected V3P4WO32 to be V3P4WO20" +mp-760032,VP6(WO8)3,-8.383132115,-2.5255250306,0.0104047238,0.0104047238,GGA+U,R3,A24B6CD3_hR102_146_8b_2b_a_3a:O-P-V-W,34.0,"Invalid WP multiplicities - A24B6CD3_hR102_146_20b_2b_a_3a:O-P-V-W, expected VP6(WO20)3 to be VP6(WO8)3" +mp-778258,V5P6WO24,-8.3967304308,-2.5751191894,0.0714163351,0.0714163351,GGA+U,R3,A24B6C5D_hR108_146_8b_2b_5a_a:O-P-V-W,36.0,"Invalid WP multiplicities - A24B6C5D_hR108_146_20b_2b_5a_a:O-P-V-W, expected V5P6WO60 to be V5P6WO24" +mp-775437,V3P6WO24,-8.2100025038,-2.5802909582,0.0,-0.0034755136,GGA+U,R3,A24B6C3D_hR102_146_8b_2b_3a_a:O-P-V-W,34.0,"Invalid WP multiplicities - A24B6C3D_hR102_146_20b_2b_3a_a:O-P-V-W, expected V3P6WO60 to be V3P6WO24" +mp-758580,V2Fe3P6WO24,-8.1782803142,-2.4078261444,0.0889568338,0.0889568338,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Fe-O-P-V-W,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_20b_2b_2a_a:Fe-O-P-V-W, expected V2Fe3P6WO60 to be V2Fe3P6WO24" +mp-27506,K3W2Cl9,-4.9756550539,-1.6982059653,0.0,-0.002434333,GGA,P6_3/m,A9B3C2_hP28_176_hi_af_f:Cl-K-W,28.0,"Invalid WP multiplicities - A9B3C2_hP28_176_h2i_af_f:Cl-K-W, expected K3W2Cl15 to be K3W2Cl9" +mp-1211264,KWCl6,-4.7393906687000005,-1.5944220266,0.0,-0.0020560106,GGA,C2/c,A6BC_mC32_15_3f_e_c:Cl-K-W,16.0,A6BC_mC32_15_3f_e_a:Cl-K-W +mp-558352,KWNClF5,-6.0043657308,-2.2475928864,0.1064105815,0.1064105815,GGA+U,P2_1/c,AB5CDE_mP36_14_e_5e_e_e_e:Cl-F-K-N-W,36.0,"Invalid WP multiplicities - AB5CDE_mP36_14_e_17e_e_e_e:Cl-F-K-N-W, expected KWNClF17 to be KWNClF5" +mp-569185,K(WCl3)3,-5.7290555154,-1.3735463172,0.0121865271,0.0121865271,GGA,P-31m,A9BC3_hP26_162_i2k_d_k:Cl-K-W,26.0,"Invalid WP multiplicities - A9BC3_hP26_162_2i5k_d_k:Cl-K-W, expected K(WCl7)3 to be K(WCl3)3" +mp-568914,K2WCl6,-4.6768146622,-1.7579093196,0.0,-0.0124915032,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-W,9.0,A6B2C_cF36_225_e_c_a:Cl-K-W +mp-1204887,K2HfO2F5,-6.0141306307,-2.8512547123000003,0.2639871046,0.2639871046,GGA,Pbca,A5BC2D2_oP80_61_5c_c_2c_2c:F-Hf-K-O,80.0,A5BC2D2_oP80_61_5c_c_2c_2c:F-Hf-K-O +mp-1203421,K5Hf3OF17,-6.3426157903,-3.5401006755,0.0876385586,0.0876385586,GGA,Pnma,A17B3C5D_oP104_62_3c7d_cd_c2d_c:F-Hf-K-O,104.0,A17B3C5D_oP104_62_3c7d_cd_c2d_c:F-Hf-K-O +mp-1080840,K3SmN6,-4.492416153,1.3144590996,1.9244271859,1.9244271859,GGA,C2/m,A3B6C_mC20_12_ag_ij_d:K-N-Sm,10.0,A3B6C_mC20_12_ag_ij_d:K-N-Sm +mp-1197477,KSm2N7,-7.0110961663,-0.120792597,0.7091595248,0.7091595248,GGA,Pnnm,AB7C2_oP40_58_g_e3h_h:K-N-Sm,40.0,AB7C2_oP40_58_g_e3h_h:K-N-Sm +mp-1197637,Sm6H44N8O51,-6.104208847,-1.5485708061,0.0,-0.0069021639,GGA,P-1,A44B8C51D6_aP218_2_44i_8i_bd50i_6i:H-N-O-Sm,218.0,A44B8C51D6_aP218_2_44i_8i_bd50i_6i:H-N-O-Sm +mp-1213357,K3Sm2(NO3)9,-6.8676702988,-1.4687088686,0.0,-0.0339295304,GGA,P4_132,A3B9C27D2_cP164_213_d_de_d4e_c:K-N-O-Sm,164.0,A3B9C27D2_cP164_213_d_de_d4e_c:K-N-O-Sm +mp-759030,KSmH4(N2O7)2,-6.5062239443,-1.4229109893,0.0,-0.0017967272,GGA,Pna2_1,A4BC4D14E_oP96_33_4a_a_4a_14a_a:H-K-N-O-Sm,96.0,"Invalid WP multiplicities - A4BC4D14E_oP96_33_13a_a_13a_53a_a:H-K-N-O-Sm, expected KSmH13N13O53 to be KSmH4(N2O7)2" +mp-735953,SmH12(NO5)3,-3.7541508535,0.9116915374,2.2698580942,2.2595642344,GGA,P-1,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm,62.0,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm +mp-734266,SmH12(NO5)3,-5.9033724037,-1.2375300128,0.120636544,0.1103426842,GGA,P-1,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm,62.0,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm +mp-1179531,SmH12(NO5)3,-5.9484238452,-1.2825814542,0.0755851026,0.0652912428,GGA,P-1,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm,62.0,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm +mp-1202040,SmH12(NO5)3,-6.0240089477,-1.3581665568,0.0,-0.0102938598,GGA,P-1,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm,62.0,A12B3C15D_aP62_2_12i_3i_15i_i:H-N-O-Sm +mp-1002346,SmH8(NO5)3,-3.881212318,0.973239902,2.2437758003,2.2437758003,GGA,P-1,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm,54.0,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm +mp-740754,SmH8(NO5)3,-5.9656120798,-1.1111598599,0.1593760384,0.1593760384,GGA,P-1,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm,54.0,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm +mp-1337034,SmH8(NO5)3,-5.0477163794,-0.1932641595,1.0772717388,1.0772717388,GGA,P-1,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm,54.0,A8B3C15D_aP54_2_8i_3i_15i_i:H-N-O-Sm +mp-706283,InH7N2OF4,-5.1277529958,-1.4099956307,0.0886075082,0.0886075082,GGA,P2_12_12_1,A4B7CD2E_oP60_19_4a_7a_a_2a_a:F-H-In-N-O,60.0,A4B7CD2E_oP60_19_4a_7a_a_2a_a:F-H-In-N-O +mp-706053,H4NOF,-5.1010610279,-0.9916943446,0.2289254576,0.2289254576,GGA,Pbca,AB4CD_oP112_61_2c_8c_2c_2c:F-H-N-O,112.0,AB4CD_oP112_61_2c_8c_2c_2c:F-H-N-O +mp-560224,H6NO2F,-5.0412353403,-0.9914645818,0.2475854859,0.2475854859,GGA,Pnma,AB6CD2_oP40_62_c_2c2d_c_d:F-H-N-O,40.0,"Invalid WP multiplicities - AB6CD2_oP40_62_c_7c9d_c_d:F-H-N-O, expected H25NO2F to be H6NO2F" +mp-643666,InH5NOF4,-5.0798377746,-1.6928033195,0.0390300221,0.0390300221,GGA,P-1,A4B5CDE_aP24_2_4i_5i_i_i_i:F-H-In-N-O,24.0,A4B5CDE_aP24_2_4i_5i_i_i_i:F-H-In-N-O +mp-541218,GdP2H9O10,-6.7022798067,-1.933909408,0.0490212071,0.0490212071,GGA,Pnna,AB9C10D2_oP88_52_d_c4e_5e_e:Gd-H-O-P,88.0,AB9C10D2_oP88_52_d_c4e_5e_e:Gd-H-O-P +mp-24277,KGdP2H4O9,-7.4026329316,-2.4553253562,0.0231494621,0.0231494621,GGA,P2_1/c,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Gd-H-K-O-P,68.0,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Gd-H-K-O-P +mp-1203721,KGdP2H4O9,-7.3774020041,-2.4300944287,0.0483803896,0.0483803896,GGA,P2_1/c,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Gd-H-K-O-P,68.0,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Gd-H-K-O-P +mp-566293,K3Gd5(PO4)6,-9.1919166311,-3.273175785,0.0060884154,0.0060884154,GGA,C2/c,A5B3C24D6_mC152_15_e2f_ef_12f_3f:Gd-K-O-P,76.0,"Invalid WP multiplicities - A5B3C24D6_mC152_15_2e6f_e2f_45f_9f:Gd-K-O-P, expected K5Gd14(PO5)18 to be K3Gd5(PO4)6" +mp-978099,K3Gd(PO4)2,-7.8156268446,-2.9722387172,0.0,-0.0337301026,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Gd-K-O-P,28.0,AB3C8D2_mP28_11_e_3e_4e2f_2e:Gd-K-O-P +mp-554526,KGd(PO3)4,-8.2542569025,-2.9098126942,0.0009791043,0.0005516569,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Gd-K-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mP36_4_a_a_23a_6a:Gd-K-O-P, expected KGdP6O23 to be KGd(PO3)4" +mp-559799,KGd(PO3)4,-8.2552360068,-2.9107917985,0.0,-0.0004274474,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Gd-K-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_46e_13e:Gd-K-O-P, expected KGdP13O46 to be KGd(PO3)4" +mp-555598,KGd(PO3)4,-8.254127306400001,-2.9096830981,0.0011087004,0.000681253,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Gd-K-O-P,36.0,"Invalid WP multiplicities - ABC12D4_mC72_15_e_e_20f_6f:Gd-K-O-P, expected KGd(P3O10)4 to be KGd(PO3)4" +mp-601302,GdP2H9O11,-6.792339807,-2.0162164382,0.0418496536,0.0418496536,GGA,P2_1/c,AB9C11D2_mP92_14_e_9e_11e_2e:Gd-H-O-P,92.0,"Invalid WP multiplicities - AB9C11D2_mP92_14_e_35e_42e_4e:Gd-H-O-P, expected GdP4(H5O6)7 to be GdP2H9O11" +mp-605707,Gd4P6H16O23,-7.4583327552,-2.2166641618,0.0266793485,0.0266793485,GGA,P-1,A4B16C23D6_aP98_2_4i_16i_23i_6i:Gd-H-O-P,98.0,"Invalid WP multiplicities - A4B16C23D6_aP98_2_5i_32i_44i_8i:Gd-H-O-P, expected Gd5P8(H8O11)4 to be Gd4P6H16O23" +mp-23945,KLi2(HO)3,-4.5614562833,-1.2340686223,0.4835201167,0.4707748206,GGA,P2_1/m,A3BC2D3_mP18_11_3e_e_f_3e:H-K-Li-O,18.0,"Invalid WP multiplicities - A3BC2D3_mP18_11_3e_e_f_5e:H-K-Li-O, expected KLi2H3O5 to be KLi2(HO)3" +mp-1188395,KLi2(HO)3,-5.0449764,-1.717588739,0.0,-0.0127452961,GGA,P2_1/m,A3BC2D3_mP18_11_3e_e_f_3e:H-K-Li-O,18.0,A3BC2D3_mP18_11_3e_e_f_3e:H-K-Li-O +mp-1238505,KLi2(HO)3,-4.53896958,-1.211581919,0.50600682,0.4932615239,GGA,P2_1/m,A3BC2D3_mP18_11_3e_e_f_3e:H-K-Li-O,18.0,"Invalid WP multiplicities - A3BC2D3_mP18_11_3e_e_f_5e:H-K-Li-O, expected KLi2H3O5 to be KLi2(HO)3" +mp-760342,KLiH2WO5,-6.747936801,-1.998302032,0.0047471207,0.0047471207,GGA+U,Pbca,A2BCD5E_oP80_61_2c_c_c_5c_c:H-K-Li-O-W,80.0,"Invalid WP multiplicities - A2BCD5E_oP80_61_5c_c_c_17c_c:H-K-Li-O-W, expected KLiH5WO17 to be KLiH2WO5" +mp-1521873,KLi(WO3)4,-8.5085280017,-2.1634109312,0.0784322142,0.0784322142,GGA+U,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:K-Li-O-W,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:K-Li-O-W, expected KLi(WO4)4 to be KLi(WO3)4" +mp-1233003,KLiWO3,-6.8361275683,-1.6998745388,0.4444630954,0.4444630954,GGA+U,P4/mmm,ABC3D_tP6_123_a_b_ce_d:K-Li-O-W,6.0,ABC3D_tP6_123_a_b_ce_d:K-Li-O-W +mp-1235719,KLiWO3,-6.8635954533,-1.7273424238,0.4169952104,0.4169952104,GGA+U,R3m,ABC3D_hR18_160_a_a_b_a:K-Li-O-W,6.0,ABC3D_hR18_160_a_a_b_a:K-Li-O-W +mp-1178148,KLi(WO3)3,-8.3834959354,-2.2110737279,0.0359123706,0.0359123706,GGA+U,P1,ABC9D3_aP28_1_2a_2a_18a_6a:K-Li-O-W,28.0,ABC9D3_aP28_1_2a_2a_18a_6a:K-Li-O-W +mp-771349,KLi(WO3)3,-8.3668179271,-2.1943957196,0.0525903788,0.0525903788,GGA+U,Cc,ABC9D3_mC56_9_a_a_9a_3a:K-Li-O-W,28.0,ABC9D3_aP28_1_2a_2a_18a_6a:K-Li-O-W +mp-1212005,KLiWO4,-7.4212194792,-2.3120470665,0.0,-0.0039607395,GGA+U,P2_1/c,ABC4D_mP84_14_3e_3e_12e_3e:K-Li-O-W,84.0,ABC4D_mP84_14_3e_3e_12e_3e:K-Li-O-W +mp-1211376,KLiWO4,-7.3106738386,-2.2015014259,0.1105456406,0.1065849011,GGA+U,P6_3mc,ABC4D_hP14_186_a_b_bc_b:K-Li-O-W,14.0,ABC4D_hP14_186_a_b_bc_b:K-Li-O-W +mp-1211940,KLiWO5,-6.8473341184,-1.7584721684,0.2688450594,0.2688450594,GGA+U,Pbca,ABC5D_oP64_61_c_c_5c_c:K-Li-O-W,64.0,ABC5D_oP64_61_c_c_5c_c:K-Li-O-W +mp-774652,KLi(WO3)6,-8.7236152696,-2.1925191159,0.0405044508,0.0405044508,GGA+U,P1,ABC18D6_aP26_1_a_a_18a_6a:K-Li-O-W,26.0,ABC18D6_aP26_1_a_a_18a_6a:K-Li-O-W +mp-775511,KLi(WO3)6,-8.7252162604,-2.1941201067,0.03890346,0.03890346,GGA+U,Cm,ABC18D6_mC52_8_a_a_6a6b_2a2b:K-Li-O-W,26.0,"Invalid WP multiplicities - ABC18D6_mC52_8_a_a_6a10b_2a4b:K-Li-O-W, expected KLi(W5O13)2 to be KLi(WO3)6" +mp-641962,KAuC2(SN)2,-6.2719979719,-0.2985602824,0.1275699253,0.1275699253,GGA,C2/c,AB2CD2E2_mC64_15_2e_2f_f_2f_2f:Au-C-K-N-S,32.0,"Invalid WP multiplicities - AB2CD2E2_mC64_15_3e_4f_f_5f_4f:Au-C-K-N-S, expected K2Au3C8(S4N5)2 to be KAuC2(SN)2" +mp-1223509,KCSN,-6.3275234588,-0.6245211509,0.0240274464,0.0240274464,GGA,Ima2,ABCD_oI16_46_b_a_b_b:C-K-N-S,8.0,ABCD_oI16_46_b_a_b_b:C-K-N-S +mp-601401,KCSN,-6.308464165,-0.6054618572,0.0430867401,0.0430867401,GGA,Pbcm,ABCD_oP16_57_d_d_d_d:C-K-N-S,16.0,ABCD_oP16_57_d_d_d_d:C-K-N-S +mp-6511,KCSN,-6.3472183125,-0.6442160047000001,0.0043325926,0.0043325926,GGA,Pbcm,ABCD_oP16_57_d_c_d_d:C-K-N-S,16.0,ABCD_oP16_57_d_c_d_d:C-K-N-S +mp-975336,KCSN,-6.2930971556,-0.5900948478,0.0584537495,0.0584537495,GGA,Pbcm,ABCD_oP16_57_d_d_d_d:C-K-N-S,16.0,ABCD_oP16_57_d_d_d_d:C-K-N-S +mp-1197836,CoCIN5O4,-6.4293235798,0.1773080125,1.0760228283,1.0760228283,GGA+U,P2_1/c,ABCD5E4_mP48_14_e_e_e_5e_4e:C-Co-I-N-O,48.0,ABCD5E4_mP48_14_e_e_e_5e_4e:C-Co-I-N-O +mp-1203490,CIN2O7,-5.3519757618,0.2845553901,1.2633743172,1.2633743172,GGA,P2_1/c,ABC2D7_mP44_14_e_e_2e_7e:C-I-N-O,44.0,ABC2D7_mP44_14_e_e_2e_7e:C-I-N-O +mp-1198908,CI(NO)3,-6.0678963203,0.2510515236,1.1704816538,1.1704816538,GGA,P2_1/c,ABC3D3_mP64_14_2e_2e_6e_6e:C-I-N-O,64.0,ABC3D3_mP64_14_2e_2e_6e_6e:C-I-N-O +mp-772835,K2NdPCO7,-7.4460417833,-2.757897258,0.0389091107,0.0389091107,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-Nd-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-K-Nd-O-P, expected K2NdPCO13 to be K2NdPCO7" +mp-557940,KNd(CO3)2,-7.9512906872,-2.5496897240000003,0.0,-0.1568518976,GGA,Pmn2_1,A2BCD6_oP40_31_2ab_b_2a_4a4b:C-K-Nd-O,40.0,"Invalid WP multiplicities - A2BCD6_oP40_31_4a3b_b_4a_8a16b:C-K-Nd-O, expected KNd2(CO4)5 to be KNd(CO3)2" +mp-1223949,K2RbCO3F,-5.9428339756,-2.2951411556,0.0150107017,0.0150107017,GGA,C2,ABC2D3E_mC32_5_ab_c_abc_ab2c_c:C-F-K-O-Rb,16.0,"Invalid WP multiplicities - ABC2D3E_mC32_5_ab_c_ab2c_ab3c_c:C-F-K-O-Rb, expected K3RbCO4F to be K2RbCO3F" +mp-1211820,KC4(OF)2,-7.0511394436,-1.3020954131,0.2436230183,0.2436230183,GGA,P2/c,A4B2CD2_mP36_13_4g_2g_g_2g:C-F-K-O,36.0,A4B2CD2_mP36_13_4g_2g_g_2g:C-F-K-O +mp-1211696,KCOF3,-5.8227912008,-2.319426192,0.0113309792,0.0113309792,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:C-F-K-O,24.0,AB3CD_mP24_14_e_3e_e_e:C-F-K-O +mp-8773,K3CO3F,-5.979237775,-2.3153118457,0.0069541153,0.0069541153,GGA,R-3c,ABC3D3_hR48_167_a_b_e_e:C-F-K-O,16.0,ABC3D3_hR48_167_a_b_e_e:C-F-K-O +mp-1223355,KRb2CO3F,-5.9134609206,-2.2820012099,0.0160365437,0.0160365437,GGA,C2,ABCD3E2_mC32_5_ab_c_c_ab2c_abc:C-F-K-O-Rb,16.0,"Invalid WP multiplicities - ABCD3E2_mC32_5_ab_c_c_ab3c_ab2c:C-F-K-O-Rb, expected KRb3CO4F to be KRb2CO3F" +mp-1221087,Nd2P2H8S4O15,-5.9674359716000005,-1.5077315079,0.5607500698,0.5607500698,GGA,P2_1,A8B2C15D2E4_mP62_4_8a_2a_15a_2a_4a:H-Nd-O-P-S,62.0,"Invalid WP multiplicities - A8B2C15D2E4_mP62_4_12a_3a_22a_3a_6a:H-Nd-O-P-S, expected Nd3P3H12(S3O11)2 to be Nd2P2H8S4O15" +mp-707986,K2Pr2H3(S2O9)2,-6.6603121062,-2.2621402507,0.0387703758,0.0387703758,GGA,P2_1/c,A3B2C18D2E4_mP116_14_3e_2e_18e_2e_4e:H-K-O-Pr-S,116.0,A3B2C18D2E4_mP116_14_3e_2e_18e_2e_4e:H-K-O-Pr-S +mp-15782,KPrS2,-5.62609394,-2.0850428311,0.0,-0.1542116269,GGA,R-3m,ABC2_hR12_166_a_b_c:K-Pr-S,4.0,ABC2_hR12_166_a_b_c:K-Pr-S +mp-554057,KPr(SO4)2,-7.0180247221,-2.5398818783,0.0,-0.0198184991,GGA,P-1,AB8CD2_aP24_2_i_8i_i_2i:K-O-Pr-S,24.0,"Invalid WP multiplicities - AB8CD2_aP24_2_i_13i_i_2i:K-O-Pr-S, expected KPrS2O13 to be KPr(SO4)2" +mp-546864,Y2C(NO)2,-9.42299156,-2.4618522755,0.0,-0.0493337696,GGA,P-3m1,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Y,7.0,AB2C2D2_hP7_164_a_c_d_d:C-N-O-Y +mp-558658,Y2C(NO)2,-9.4214972457,-2.4603579612,0.0014943143,-0.0478394554,GGA,P6_3/mmc,AB2C2D2_hP14_194_b_e_f_f:C-N-O-Y,14.0,AB2C2D2_hP14_194_b_e_f_f:C-N-O-Y +mp-1194323,YC4NO9,-7.8217236303,-1.4058685364,0.5841707053,0.5841707053,GGA,P2/c,A4BC9D_mP30_13_2g_f_e4g_e:C-N-O-Y,30.0,A4BC9D_mP30_13_2g_f_e4g_e:C-N-O-Y +mp-1207969,YCoC6N6O5,-7.2634319608,0.2996835639,1.3329337263,1.3329337263,GGA+U,P6_3/m,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Y,38.0,A6BC6D5E_hP38_176_i_b_i_fh_c:C-Co-N-O-Y +mp-772808,K2BiPCO7,-6.9012311808,-2.290391514,0.0,-0.0177872525,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Bi-C-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Bi-C-K-O-P, expected K2BiPCO13 to be K2BiPCO7" +mp-767416,K3BiPCO7,-6.5213178381,-2.179742842,0.0861889003,0.0861889003,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Bi-C-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Bi-C-K-O-P, expected K4BiPCO13 to be K3BiPCO7" +mp-1178144,KBiPCO7,-7.0232598,-2.0941982496,0.0568976471,0.0568976471,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:Bi-C-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:Bi-C-K-O-P, expected KBiPCO13 to be KBiPCO7" +mp-1223403,KP2(W3O11)2,-8.7168579703,-2.3132148417,0.0220561932,0.0220561932,GGA+U,Pm,AB22C2D6_mP31_6_a_4a4b7c_ab_3a3b:K-O-P-W,31.0,"Invalid WP multiplicities - AB22C2D6_mP31_6_a_4a4b10c_ab_3a3b:K-O-P-W, expected KP2(W3O14)2 to be KP2(W3O11)2" +mp-1223454,KP4(WO4)8,-8.693647072000001,-2.3664761926,0.0084798541,0.0084798541,GGA+U,Cm,AB32C4D8_mC90_8_a_6a13b_2ab_4a2b:K-O-P-W,45.0,"Invalid WP multiplicities - AB32C4D8_mC90_8_a_6a22b_2ab_4a2b:K-O-P-W, expected KP4(W4O25)2 to be KP4(WO4)8" +mp-561311,K2P2WO9,-7.5933649259,-2.5558126731,0.0,-0.0073943029,GGA+U,C2/c,A2B9C2D_mC112_15_2f_9f_2f_f:K-O-P-W,56.0,"Invalid WP multiplicities - A2B9C2D_mC112_15_5f_32f_4f_f:K-O-P-W, expected K5P4WO32 to be K2P2WO9" +mp-19462,KP2WO8,-7.9307998675,-2.5584128775,0.0,-0.0004871319,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:K-O-P-W,48.0,"Invalid WP multiplicities - AB8C2D_mP48_14_e_10e_2e_e:K-O-P-W, expected KP2WO10 to be KP2WO8" +mp-1192188,KHo(WO4)2,-8.6162161438,-2.6843346465,0.0,-0.0217319259,GGA+U,C2/c,ABC8D2_mC48_15_e_e_4f_f:Ho-K-O-W,24.0,ABC8D2_mC48_15_e_e_4f_f:Ho-K-O-W +mp-1223452,KP2W7O25,-8.7697480689,-2.3037156874,0.0176020309,0.0176020309,GGA+U,Cm,AB25C2D7_mC70_8_a_9a8b_2a_7a:K-O-P-W,35.0,"Invalid WP multiplicities - AB25C2D7_mC70_8_a_9a12b_2a_7a:K-O-P-W, expected KP2W7O33 to be KP2W7O25" +mp-555335,K2HoPWO8,-7.8422385717,-2.8616117109,0.0,-0.0142291315,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Ho-K-O-P-W,52.0,"Invalid WP multiplicities - AB2C8DE_oI104_73_c_f_20f_c_d:Ho-K-O-P-W, expected K2HoPWO40 to be K2HoPWO8" +mp-554269,K3P(W3O10)4,-8.6955826435,-2.2293395978,0.0293374411,0.0293374411,GGA+U,Pn-3m,A3B40CD12_cP112_224_d_e3k_a_k:K-O-P-W,112.0,"Invalid WP multiplicities - A3B40CD12_cP112_224_d_7e41k_a_k:K-O-P-W, expected K3P(W3O130)4 to be K3P(W3O10)4" +mp-1204732,Ge3BH4NO8,-6.5901054774,-1.7648475873,0.0,-0.0056304092,GGA,P-1,AB3C4DE8_aP34_2_i_3i_4i_i_8i:B-Ge-H-N-O,34.0,AB3C4DE8_aP34_2_i_3i_4i_i_8i:B-Ge-H-N-O +mp-560326,Ba5B3CNO9,-7.6438699805,-2.8165853052000003,0.0229542334,0.0229542334,GGA,C222_1,A3B5CDE9_oC76_20_ac_a2bc_b_b_a4c:B-Ba-C-N-O,38.0,"Invalid WP multiplicities - A3B5CDE9_oC76_20_a2c_a4b2c_b_b_2a12c:B-Ba-C-N-O, expected Ba9B5CNO26 to be Ba5B3CNO9" +mp-1199499,K4Ba2B14H16O33,-6.9677424815,-2.3399834286,0.0,-0.0001260443,GGA,P-1,A14B2C16D4E33_aP138_2_14i_2i_16i_4i_33i:B-Ba-H-K-O,138.0,A14B2C16D4E33_aP138_2_14i_2i_16i_4i_33i:B-Ba-H-K-O +mp-705494,K2B10H13O2,-5.0544851567,-0.4984284304,0.2195358391,0.2195358391,GGA,P-1,A10B13C2D2_aP54_2_10i_13i_2i_2i:B-H-K-O,54.0,A10B13C2D2_aP54_2_10i_13i_2i_2i:B-H-K-O +mp-863007,KB6(HO)6,-6.0469836043,-1.2457605459,0.426527637,0.426527637,GGA,P2_1/c,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-K-O,76.0,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-K-O +mp-1237093,KB6(HO)6,-6.2072512211,-1.4060281627,0.2662600203,0.2662600203,GGA,P2_1/c,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-K-O,76.0,A6B6CD6_mP76_14_6e_6e_e_6e:B-H-K-O +mp-707775,K2B5H5O11,-6.9482479085,-2.2962930043,0.0154965339,0.0154965339,GGA,Pna2_1,A5B5C2D11_oP92_33_5a_5a_2a_11a:B-H-K-O,92.0,A5B5C2D11_oP92_33_5a_5a_2a_11a:B-H-K-O +mp-1199251,KB5(H2O5)2,-7.2538681936,-2.3766107389,0.0007936926,0.0007936926,GGA,P2_1/c,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-K-O,80.0,A5B4CD10_mP80_14_5e_4e_e_10e:B-H-K-O +mp-1197999,KB5H2O9,-7.6094712472,-2.56164723,0.0036026449,0.0036026449,GGA,P2_1/c,A5B2CD9_mP68_14_5e_2e_e_9e:B-H-K-O,68.0,A5B2CD9_mP68_14_5e_2e_e_9e:B-H-K-O +mp-558951,K2B6H2O11,-7.529388009,-2.6009986551,0.0010260815,0.0010260815,GGA,P2_1/c,A6B2C2D11_mP84_14_6e_2e_2e_11e:B-H-K-O,84.0,"Invalid WP multiplicities - A6B2C2D11_mP84_14_20e_4e_6e_37e:B-H-K-O, expected K6B20H4O37 to be K2B6H2O11" +mp-605642,KB3(HO3)2,-7.2152135522,-2.4140336675,0.0237166871,0.0237166871,GGA,P4/ncc,A3B2CD6_tP192_130_3g_2g_ab2c_6g:B-H-K-O,192.0,"Invalid WP multiplicities - A3B2CD6_tP192_130_38g_19g_4a3b7c_77g:B-H-K-O, expected K7B76(H19O77)2 to be KB3(HO3)2" +mp-1197401,K4B10H4O19,-7.3945225881,-2.5622657451,0.0,-0.0063383866,GGA,C2/c,A10B4C4D19_mC148_15_5f_2f_2f_e9f:B-H-K-O,74.0,A10B4C4D19_mC148_15_5f_2f_2f_e9f:B-H-K-O +mp-705892,K2B10H9O,-4.9581046386,-0.2082892423,0.4382387041,0.4382387041,GGA,P2_1/c,A10B9C2D_mP88_14_10e_9e_2e_e:B-H-K-O,88.0,A10B9C2D_mP88_14_10e_9e_2e_e:B-H-K-O +mp-721901,K2B4H8O11,-6.4815920359,-2.0618420695,0.0,-0.0023069305,GGA,P2_12_12_1,A4B8C2D11_oP100_19_4a_8a_2a_11a:B-H-K-O,100.0,"Invalid WP multiplicities - A4B8C2D11_oP100_19_13a_29a_5a_41a:B-H-K-O, expected K5B13H29O41 to be K2B4H8O11" +mp-1205077,K2B10H6O19,-7.4197916939,-2.4641658186,0.0,-0.0001349914,GGA,P-1,A10B6C2D19_aP74_2_10i_6i_2i_19i:B-H-K-O,74.0,A10B6C2D19_aP74_2_10i_6i_2i_19i:B-H-K-O +mp-707961,KB3(H3O4)2,-6.0897549904,-1.5853972004,0.4673135647,0.4673135647,GGA,C2/c,A3B6CD8_mC144_15_3f_6f_ce_8f:B-H-K-O,72.0,A3B6CD8_mC144_15_3f_6f_ae_8f:B-H-K-O +mp-706621,KB5(H2O3)4,-6.7820810938000005,-2.1278722209,0.0,-0.0035650573,GGA,Aea2,A5B8CD12_oC104_41_a2b_4b_a_6b:B-H-K-O,52.0,A5B8CD12_oC104_41_a2b_4b_a_6b:B-H-K-O +mp-1200952,KB5(H2O3)4,-6.7547726056,-2.1005637326,0.0273084883,0.0237434309,GGA,Aea2,A5B8CD12_oC104_41_a2b_4b_a_6b:B-H-K-O,52.0,A5B8CD12_oC104_41_a2b_4b_a_6b:B-H-K-O +mp-1105034,K3YV2O8,-7.545344145,-2.721130589,0.0,-0.0262687606,GGA+U,P-3m1,A3B8C2D_hP14_164_ad_di_d_b:K-O-V-Y,14.0,A3B8C2D_hP14_164_ad_di_d_b:K-O-V-Y +mp-1209350,Rb3YV2O8,-7.50977344,-2.7133880714,0.0,-0.0297665756,GGA+U,P-3m1,A8B3C2D_hP14_164_di_ad_d_b:O-Rb-V-Y,14.0,A8B3C2D_hP14_164_di_ad_d_b:O-Rb-V-Y +mp-1211701,K2RbYV2O8,-7.543414125,-2.7284766314,0.0,-0.0099268817,GGA+U,P-3m1,A2B8CD2E_hP14_164_d_di_a_d_b:K-O-Rb-V-Y,14.0,A2B8CD2E_hP14_164_d_di_a_d_b:K-O-Rb-V-Y +mp-1019891,KPSO2,-6.2159751458,-2.1052693972,0.0096018762,0.0096018762,GGA,Pna2_1,AB2CD_oP60_33_3a_6a_3a_3a:K-O-P-S,60.0,"Invalid WP multiplicities - AB2CD_oP60_62_cd_2c2d_c2d_cd:K-O-P-S, expected K3P5(SO2)3 to be KPSO2" +mp-734082,K3PS4O,-4.4037812144,-1.0441159337,0.4194474911,0.4194474911,GGA,P2_12_12,A3BCD4_oP36_18_3c_c_c_4c:K-O-P-S,36.0,A3BCD4_oP36_18_3c_c_c_4c:K-O-P-S +mp-1224224,K2PSO8,-6.2315148317,-1.9528431685,0.1400935579,0.1400935579,GGA,P-1,A2B8CD_aP24_2_2i_8i_i_i:K-O-P-S,24.0,"Invalid WP multiplicities - A2B8CD_aP24_2_4i_16i_i_i:K-O-P-S, expected K4PSO16 to be K2PSO8" +mp-556609,KSb(PS3)2,-4.866345123,-0.7778746828,0.0,-0.0176823778,GGA,P2_1,AB2C6D_mP20_4_a_2a_6a_a:K-P-S-Sb,20.0,"Invalid WP multiplicities - AB2C6D_mP20_4_a_3a_11a_a:K-P-S-Sb, expected KSbP3S11 to be KSb(PS3)2" +mp-1194959,KSb2P(SO6)2,-6.6814598056,-2.1028560165,0.0,-0.0082722172,GGA,P-1,AB12CD2E2_aP36_2_i_12i_i_2i_2i:K-O-P-S-Sb,36.0,AB12CD2E2_aP36_2_i_12i_i_2i_2i:K-O-P-S-Sb +mp-1519397,KCeVWO6,-8.448844765,-2.5722790981,0.1879627091,0.1879627091,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ce-K-O-V-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ce-K-O-V-W +mp-1211853,KCr(CO2)4,-7.8602713232,-1.6280128891,0.1969228731,0.1969228731,GGA+U,P2/c,A4BCD8_mP28_13_2g_a_f_4g:C-Cr-K-O,28.0,A4BCD8_mP28_13_2g_a_f_4g:C-Cr-K-O +mp-756910,K2CrPCO7,-7.4860603921,-2.3908408636000003,0.0,-0.0075657311,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Cr-K-O-P, expected K2CrPCO13 to be K2CrPCO7" +mp-774255,K3CrPCO7,-7.1357577265,-2.3470628582,0.0152894526,0.0152894526,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cr-K-O-P, expected K4CrPCO13 to be K3CrPCO7" +mp-1181049,KCrC4O13,-6.7991068137,-0.9051562014,0.7719717251,0.7719717251,GGA+U,P2/c,A4BCD13_mP38_13_2g_a_f_e6g:C-Cr-K-O,38.0,A4BCD13_mP38_13_2g_a_f_e6g:C-Cr-K-O +mp-1178159,KCrPCO7,-7.7099861182,-2.2525101732,0.0439509679,0.0439509679,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cr-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cr-K-O-P, expected KCrPCO13 to be KCrPCO7" +mp-1197826,K3VMo3H4O15,-7.0564402179,-1.9516983683,0.0241356722,0.0241356722,GGA+U,C2/m,A4B3C3D15E_mC104_12_2j_adj_ij_5i5j_i:H-K-Mo-O-V,52.0,A4B3C3D15E_mC104_12_2j_adj_ij_5i5j_i:H-K-Mo-O-V +mp-642578,K2Mn2(SO4)3,-5.7076351475,-0.8489802731,1.3014514241,1.2823241568,GGA+U,P2_12_12_1,A2B2C12D3_oP76_19_2a_2a_12a_3a:K-Mn-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_19_6a_5a_44a_9a:K-Mn-O-S, expected K6Mn5S9O44 to be K2Mn2(SO4)3" +mp-561539,K2Mn2(SO4)3,-6.7822782393,-1.9236233649,0.2268083322,0.207681065,GGA+U,P2_12_12_1,A2B2C12D3_oP76_19_2a_2a_12a_3a:K-Mn-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_19_6a_6a_44a_9a:K-Mn-O-S, expected K6Mn6S9O44 to be K2Mn2(SO4)3" +mp-6531,K2Mn2(SO4)3,-7.0090865716,-2.1504316972,0.0,-0.0191272672,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:K-Mn-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_5a_2a_8b_b:K-Mn-O-S, expected K5Mn2(SO8)3 to be K2Mn2(SO4)3" +mp-1181071,K2Mn(SO6)2,-5.9217303618,-1.273731688,0.4168517218,0.4168517218,GGA+U,C2/m,A2BC12D2_mC68_12_2i_ad_6j_j:K-Mn-O-S,34.0,A2BC12D2_mC68_12_2i_ac_6j_j:K-Mn-O-S +mp-1201489,K2Mn(SO6)2,-5.6893410665,-1.0413423927,0.6492410171,0.6492410171,GGA+U,C2/m,A2BC12D2_mC68_12_2i_ad_6j_j:K-Mn-O-S,34.0,A2BC12D2_mC68_12_2i_ac_6j_j:K-Mn-O-S +mp-1204866,K2Mn(SO6)2,-5.9466654071,-1.2986667332,0.3919166765,0.3919166765,GGA+U,C2/m,A2BC12D2_mC68_12_j_ad_g5i3j_2i:K-Mn-O-S,34.0,A2BC12D2_mC68_12_j_ac_g5i3j_2i:K-Mn-O-S +mp-1199803,K4Mn2S4O19,-6.3760259782,-1.7795255867000002,0.2025377213,0.2025377213,GGA+U,P2_1/c,A4B2C19D4_mP116_14_4e_2e_19e_4e:K-Mn-O-S,116.0,A4B2C19D4_mP116_14_4e_2e_19e_4e:K-Mn-O-S +mp-18838,K2MnSO4F3,-6.2482522859,-2.5173018495,0.0,-0.0321257561,GGA+U,P2_1/c,A3B2CD4E_mP44_14_3e_2e_ab_4e_e:F-K-Mn-O-S,44.0,"Invalid WP multiplicities - A3B2CD4E_mP44_14_3e_5e_2ad_4e_e:F-K-Mn-O-S, expected K10Mn3S2(O4F3)2 to be K2MnSO4F3" +mp-19304,K2MnSO4F3,-6.2473348343,-2.5163843979,0.0009174516,-0.0312083045,GGA+U,Pbcn,A3B2CD4E_oP44_60_cd_d_a_2d_c:F-K-Mn-O-S,44.0,"Invalid WP multiplicities - A3B2CD4E_oP44_60_c2d_d_a_2d_c:F-K-Mn-O-S, expected K2MnSO4F5 to be K2MnSO4F3" +mp-1211959,K2MnOF5,-5.2879710656,-2.4116492061,0.2381409513,0.2381409513,GGA+U,P2_1/m,A5B2CD_mP18_11_e2f_2e_a_e:F-K-Mn-O,18.0,A5B2CD_mP18_11_e2f_2e_a_e:F-K-Mn-O +mp-1229227,Ba14U2V4S25O,-6.1912746728,-1.9707957849,0.0685303202,0.0685303202,GGA+U,I422,A14BC25D2E4_tI92_97_chij_a_b3k_e_j:Ba-O-S-U-V,46.0,"Invalid WP multiplicities - A14BC25D2E4_tI92_97_c2h2ij_a_b3k_e_j:Ba-O-S-U-V, expected Ba22U2V4S25O to be Ba14U2V4S25O" +mp-556461,Ba6V4S11O5,-6.5606469175,-2.0189597632,0.0942763914,0.0942763914,GGA+U,Pnma,A6B5C11D4_oP104_62_2c2d_c2d_3c4d_2cd:Ba-O-S-V,104.0,"Invalid WP multiplicities - A6B5C11D4_oP104_62_6c11d_4c11d_12c28d_8c5d:Ba-O-S-V, expected Ba14V9S34O13 to be Ba6V4S11O5" +mp-1227825,BaU2V2O12,-9.1292141888,-3.1274570338,0.0,-0.0006322133,GGA+U,Pc,AB12C2D2_mP34_7_a_12a_2a_2a:Ba-O-U-V,34.0,"Invalid WP multiplicities - AB12C2D2_mP34_7_a_18a_3a_3a:Ba-O-U-V, expected BaU3V3O18 to be BaU2V2O12" +mp-1193731,U8VS17,-8.2553571281,-1.7270942863,0.0,-0.0528136783,GGA,C2/m,A17B8C_mC52_12_a4i2j_2ij_c:S-U-V,26.0,A17B8C_mC52_12_a4i2j_2ij_d:S-U-V +mp-1188711,UVS3,-8.075900941,-1.5189678049,0.0338605118,0.0338605118,GGA,Pnma,A3BC_oP20_62_cd_c_a:S-U-V,20.0,A3BC_oP20_62_cd_c_a:S-U-V +mp-18000,Ba3V2S4O3,-6.8796753962,-2.2704585161,0.0381176929,0.0381176929,GGA+U,P6_3,A3B3C4D2_hP24_173_c_c_bc_ab:Ba-O-S-V,24.0,"Invalid WP multiplicities - A3B3C4D2_hP24_173_c_c_bc_2a2b:Ba-O-S-V, expected Ba3V4S4O3 to be Ba3V2S4O3" +mp-558369,K2LiVO4,-6.5072222775,-2.382174568,0.0,-0.0231955635,GGA+U,C2/m,A2BC4D_mC32_12_gi_h_2ij_i:K-Li-O-V,16.0,"Invalid WP multiplicities - A2BC4D_mC32_12_2g2i_h_4i3j_i:K-Li-O-V, expected K4LiVO10 to be K2LiVO4" +mp-1203349,K2LiV5H10O19,-6.7190194564,-1.9227060219,0.0239894357,0.0239894357,GGA+U,P-1,A10B2CD19E5_aP74_2_10i_2i_i_19i_5i:H-K-Li-O-V,74.0,A10B2CD19E5_aP74_2_10i_2i_i_19i_5i:H-K-Li-O-V +mp-1204387,V3As2H4O13,-7.0907385786,-1.8885652856,0.0,-0.014590805,GGA+U,P-1,A2B4C13D3_aP44_2_2i_4i_13i_3i:As-H-O-V,44.0,A2B4C13D3_aP44_2_2i_4i_13i_3i:As-H-O-V +mp-556255,K3V3(AsO7)2,-7.1387112053,-2.1771296681,0.0,-0.0014509175,GGA+U,Pnma,A2B3C14D3_oP88_62_d_cd_2c6d_cd:As-K-O-V,88.0,"Invalid WP multiplicities - A2B3C14D3_oP88_62_d_4c4d_8c39d_4c5d:As-K-O-V, expected K6V7AsO43 to be K3V3(AsO7)2" +mp-1216465,VAs2H4O9,-6.3593698794,-1.578542038,0.0702333939,0.0702333939,GGA+U,I4cm,A2B4C9D_tI64_108_c_2c_a2cd_a:As-H-O-V,32.0,A2B4C9D_tI64_108_c_2c_a2cd_a:As-H-O-V +mp-735567,VAs2H4O9,-6.4188895817,-1.6380617404,0.0107136916,0.0107136916,GGA+U,P4/ncc,A2B4C9D_tP64_130_f_g_c2g_c:As-H-O-V,64.0,A2B4C9D_tP64_130_f_g_c2g_c:As-H-O-V +mp-505074,VAs2H4O9,-6.4271212919,-1.6462934505,0.0024819814,0.0024819814,GGA+U,P4/ncc,A2B4C9D_tP64_130_f_g_c2g_c:As-H-O-V,64.0,A2B4C9D_tP64_130_f_g_c2g_c:As-H-O-V +mp-1224594,K4V4As6H12O31,-6.4105297363,-1.8001438927,0.0249989617,0.0249989617,GGA+U,P1,A6B12C4D31E4_aP57_1_6a_12a_4a_31a_4a:As-H-K-O-V,57.0,A6B12C4D31E4_aP57_1_6a_12a_4a_31a_4a:As-H-K-O-V +mp-1202651,KVAsO5,-7.0226072133,-2.074248841,0.0706785038,0.0706785038,GGA+U,Pna2_1,ABC5D_oP64_33_2a_2a_10a_2a:As-K-O-V,64.0,ABC5D_oP64_33_2a_2a_10a_2a:As-K-O-V +mp-557252,K4V3S5O23,-6.8710730983,-2.1239472785,0.0791903452,0.0791903452,GGA+U,P2_1/c,A4B23C5D3_mP140_14_4e_23e_5e_3e:K-O-S-V,140.0,"Invalid WP multiplicities - A4B23C5D3_mP140_14_15e_85e_18e_11e:K-O-S-V, expected K15V11S18O85 to be K4V3S5O23" +mp-560426,K3V(SO)2,-5.6270158031,-1.8043432947,0.0522009371,0.0522009371,GGA+U,P2_1/c,A3B2C2D_mP32_14_3e_2e_2e_e:K-O-S-V,32.0,"Invalid WP multiplicities - A3B2C2D_mP32_14_9e_6e_4e_e:K-O-S-V, expected K9V(S2O3)2 to be K3V(SO)2" +mp-1211994,KVSO9,-6.0219443471,-1.11769824,0.5344260056,0.5344260056,GGA+U,P2_1,AB9CD_mP24_4_a_9a_a_a:K-O-S-V,24.0,AB9CD_mP24_4_a_9a_a_a:K-O-S-V +mp-976313,K3V(SO5)2,-6.6254180506,-2.2407374408,0.0,-0.0005341897,GGA+U,P2_1,A3B10C2D_mP32_4_3a_10a_2a_a:K-O-S-V,32.0,A3B10C2D_mP32_4_3a_10a_2a_a:K-O-S-V +mp-2229077,K6MgV2(SO3)2,-5.6764751729,-1.8892094157,0.197162516,0.197162516,GGA+U,Pm,A6BC6D2E2_mP17_6_3a3b_a_ab2c_ab_ab:K-Mg-O-S-V,17.0,"Invalid WP multiplicities - A6BC6D2E2_mP17_6_3a3b_a_ab4c_ab_ab:K-Mg-O-S-V, expected K6MgV2(SO5)2 to be K6MgV2(SO3)2" +mp-2229430,K6MgV2(SO3)2,-5.7216291659,-1.9343634086,0.1520085231,0.1520085231,GGA+U,Pm,A6BC6D2E2_mP17_6_3a3b_a_ab2c_ab_ab:K-Mg-O-S-V,17.0,"Invalid WP multiplicities - A6BC6D2E2_mP17_6_3a3b_a_ab4c_ab_ab:K-Mg-O-S-V, expected K6MgV2(SO5)2 to be K6MgV2(SO3)2" +mp-1181810,K3V2(S2O9)2,-6.8632183592,-2.1563589054,0.0,-0.0007925229,GGA+U,P2_1,A3B18C4D2_mP108_4_6a_36a_8a_4a:K-O-S-V,108.0,A3B18C4D2_mP108_4_6a_36a_8a_4a:K-O-S-V +mp-1987187,K3V2(S2O9)2,-6.8541395244,-2.1472800707,0.0090788347,0.0082863118,GGA+U,P2_1/c,A3B18C4D2_mP54_14_ae_9e_2e_e:K-O-S-V,54.0,"Invalid WP multiplicities - A3B18C4D2_mP54_14_2a3e_33e_4e_e:K-O-S-V, expected K4VS4O33 to be K3V2(S2O9)2" +mp-561048,K3VSO3,-5.9968558838,-2.0729035198,0.0,-0.0018637482,GGA+U,P2_1/m,A3B3CD_mP16_11_3e_ef_e_e:K-O-S-V,16.0,"Invalid WP multiplicities - A3B3CD_mP16_11_5e_ef_e_e:K-O-S-V, expected K5VSO3 to be K3VSO3" +mp-704408,K8V2(S2O9)3,-6.5281510383,-2.2158185239,0.0,-0.0024924952,GGA+U,P2_1,A8B27C6D2_mP172_4_16a_54a_12a_4a:K-O-S-V,172.0,"Invalid WP multiplicities - A8B27C6D2_mP172_4_30a_107a_22a_6a:K-O-S-V, expected K30V6S22O107 to be K8V2(S2O9)3" +mp-545469,KV(SO4)2,-7.0220809329,-2.1853547295,0.0,-0.0411129169,GGA+U,R-3,AB8C2D_hR36_148_a_cf_c_b:K-O-S-V,48.0,AB8C2D_hR36_148_a_cf_c_b:K-O-S-V +mp-1196076,K4V2S4O19,-6.7729221555,-2.1818086069,0.0,-0.0113445407,GGA+U,P-1,A4B19C4D2_aP58_2_4i_19i_4i_2i:K-O-S-V,58.0,A4B19C4D2_aP58_2_4i_19i_4i_2i:K-O-S-V +mp-554334,KVSO6,-7.0914082592,-2.2013096868,0.0015226407,0.0015226407,GGA+U,P2_12_12_1,AB6CD_oP36_19_a_6a_a_a:K-O-S-V,36.0,"Invalid WP multiplicities - AB6CD_oP36_19_a_20a_a_a:K-O-S-V, expected KVSO20 to be KVSO6" +mp-555364,KVS2O9,-6.9147139579,-2.0695291,0.0,-0.0174813093,GGA+U,P2_12_12_1,AB9C2D_oP52_19_a_9a_2a_a:K-O-S-V,52.0,"Invalid WP multiplicities - AB9C2D_oP52_19_a_33a_6a_a:K-O-S-V, expected KV(S2O11)3 to be KVS2O9" +mp-1984978,NaV3H6(SO7)2,-6.8031679462,-1.939431736,0.0123705887,-0.0131099213,GGA+U,C2/m,A6BC14D2E3_mC104_12_2i2j_i_6i4j_2i_adj:H-Na-O-S-V,52.0,A6BC14D2E3_hR78_166_h_a_c2h_c_d:H-Na-O-S-V +mp-644318,NaV3H6(SO7)2,-6.8155385348,-1.9518023246,0.0,-0.0254805099,GGA+U,R-3m,A6BC14D2E3_hR78_166_h_a_c2h_c_d:H-Na-O-S-V,52.0,A6BC14D2E3_hR78_166_h_a_c2h_c_d:H-Na-O-S-V +mp-1195556,K5Y2Si4O13F,-7.4300029072,-3.1738172554,0.0,-0.0279567283,GGA,P2_1/m,AB5C13D4E2_mP50_11_e_5e_5e4f_4e_2e:F-K-O-Si-Y,50.0,AB5C13D4E2_mP50_11_e_5e_5e4f_4e_2e:F-K-O-Si-Y +mp-1198649,K9Y3Si12(O16F)2,-7.6264985203,-3.2021223666,0.0,-0.0232575946,GGA,P-1,A2B9C32D12E3_aP58_2_i_b4i_16i_6i_di:F-K-O-Si-Y,58.0,A2B9C32D12E3_aP58_2_i_b4i_16i_6i_di:F-K-O-Si-Y +mp-1194885,Na3VS2(O4F)2,-6.4339021119,-2.3888490301,0.0,-0.0210240441,GGA+U,Pbcn,A2B3C8D2E_oP64_60_d_cd_4d_d_c:F-Na-O-S-V,64.0,A2B3C8D2E_oP64_60_d_cd_4d_d_c:F-Na-O-S-V +mp-768093,VSO4F3,-6.4697065081,-2.1650900987,0.0671756339,0.0671756339,GGA+U,Pbcn,A3B4CD_oP36_60_cd_2d_c_a:F-O-S-V,36.0,"Invalid WP multiplicities - A3B4CD_oP36_60_2c3d_5d_c_a:F-O-S-V, expected VS(O5F4)2 to be VSO4F3" +mp-818175,VPO4F,-4.25335579,0.9174216942,3.6215497557,3.6163023144,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-V,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-V, expected VPO8F to be VPO4F" +mp-25440,VPO4F,-7.8713794393,-2.7006019551,0.0035261064,-0.0017213349,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-V,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-V, expected VPO8F to be VPO4F" +mp-1104878,VPO4F,-7.8749055457,-2.7041280615,0.0,-0.0052474413,GGA+U,C2/c,AB4CD_mC28_15_e_2f_e_c:F-O-P-V,14.0,AB4CD_mC28_15_e_2f_e_a:F-O-P-V +mp-1238774,NaVPO4F,-7.4785940711,-2.7888481108,0.0070849522,0.0070849522,GGA+U,Pna2_1,ABC4DE_oP64_33_2a_2a_8a_2a_2a:F-Na-O-P-V,64.0,ABC4DE_oP64_33_2a_2a_8a_2a_2a:F-Na-O-P-V +mp-722602,Na3V2P2O10F,-7.3482244286,-2.6626489223,0.0047292844,0.0047292844,GGA+U,Pm,AB3C10D2E2_mP36_6_ab_3a3b_10c_2c_2c:F-Na-O-P-V,36.0,"Invalid WP multiplicities - AB3C10D2E2_mP36_6_ab_3a3b_17c_3c_3c:F-Na-O-P-V, expected Na3V3P3O17F to be Na3V2P2O10F" +mp-694999,Na3V2P2O10F,-7.3520106722,-2.6664351659000003,0.0009430408,0.0009430408,GGA+U,Pm,AB3C10D2E2_mP36_6_ab_3a3b_10c_2c_2c:F-Na-O-P-V,36.0,"Invalid WP multiplicities - AB3C10D2E2_mP36_6_ab_3a3b_17c_3c_3c:F-Na-O-P-V, expected Na3V3P3O17F to be Na3V2P2O10F" +mp-1173762,Na3V2P2O10F,-7.3522280267,-2.6666525204,0.0007256864,0.0007256864,GGA+U,Pm,AB3C10D2E2_mP72_6_abc_3a3b3c_20c_4c_4c:F-Na-O-P-V,72.0,"Invalid WP multiplicities - AB3C10D2E2_mP72_6_ab2c_3a3b6c_37c_7c_7c:F-Na-O-P-V, expected Na9V7P7O37F3 to be Na3V2P2O10F" +mp-694937,Na3V2P2O8F3,-7.1756058272,-2.827275848,0.0,-0.0198083873,GGA+U,Pnnm,A3B3C8D2E2_oP72_58_gh_3g_4h_ef_h:F-Na-O-P-V,72.0,"Invalid WP multiplicities - A3B3C8D2E2_oP72_58_2g3h_9g_16h_ef_h:F-Na-O-P-V, expected Na9V2P2(O4F)8 to be Na3V2P2O8F3" +mp-1229305,Ag14H8I4(OF2)5,-3.8856037105,-1.0431819779,0.0612027992,0.0612027992,GGA,P2_1,A14B10C8D4E5_mP82_4_14a_10a_8a_4a_5a:Ag-F-H-I-O,82.0,"Invalid WP multiplicities - A14B10C8D4E5_mP82_4_21a_15a_12a_6a_7a:Ag-F-H-I-O, expected Ag21H12I6O7F15 to be Ag14H8I4(OF2)5" +mp-690687,Ag2H2IOF,-4.0269153907,-1.0580442299,0.0,-0.0143328861,GGA,P2_1,A2BC2DE_mP14_4_2a_a_2a_a_a:Ag-F-H-I-O,14.0,A2BC2DE_mP14_4_2a_a_2a_a_a:Ag-F-H-I-O +mp-1079461,Ag2IOF,-3.100246596,-0.3009173889,0.5669429817,0.5669429817,GGA,P2_1,A2BCD_mP10_4_2a_a_a_a:Ag-F-I-O,10.0,A2BCD_mP10_4_2a_a_a_a:Ag-F-I-O +mp-555477,Ag2H3IO6,-4.7201352558,-0.8037361926000001,0.0604132381,0.0604132381,GGA,R-3,A2B3CD6_hR36_148_c_d_a_f:Ag-H-I-O,12.0,A2B3CD6_hR36_148_c_d_a_f:Ag-H-I-O +mp-1215150,Ag6H3IO6,-4.0431961731,-0.3977578748,0.2861352361,0.2861352361,GGA,P-1,A6B3CD6_aP16_2_3i_bce_f_3i:Ag-H-I-O,16.0,A6B3CD6_aP16_2_3i_bce_f_3i:Ag-H-I-O +mp-541298,KHfH2OF5,-6.3512683428,-3.1155559812,0.0,-0.0168042189,GGA,P2_1/c,A5B2CDE_mP80_14_10e_4e_2e_2e_2e:F-H-Hf-K-O,80.0,A5B2CDE_mP80_14_10e_4e_2e_2e_2e:F-H-Hf-K-O +mp-1200257,HfH6O3F4,-6.0744426936,-2.3030478862,0.0,-0.0048880128,GGA,P2_1/c,A4B6CD3_mP56_14_4e_6e_e_3e:F-H-Hf-O,56.0,A4B6CD3_mP56_14_4e_6e_e_3e:F-H-Hf-O +mp-570238,P10Au7I,-4.52454289,-0.1621225891,0.0,-0.0317213558,GGA,P-31m,A7BC10_hP18_162_ceg_a_hk:Au-I-P,18.0,"Invalid WP multiplicities - A7BC10_hP18_162_2c2e3g_a_3h4k:Au-I-P, expected P36Au17I to be P10Au7I" +mp-27370,P10Au7I,-4.5101508033,-0.1477305024,0.0143920867,-0.0173292692,GGA,P-62m,A7BC10_hP18_189_ceg_a_hi:Au-I-P,18.0,"Invalid WP multiplicities - A7BC10_hP18_189_2c2eg_a_2hi:Au-I-P, expected P14Au11I to be P10Au7I" +mp-1173391,P2H24AuC8I,-4.9320199857,-0.1867810306,0.049206386,0.049206386,GGA,Cmcm,AB8C24DE2_oC144_63_c_2gh_2g5h_c_g:Au-C-H-I-P,72.0,AB8C24DE2_oC144_63_c_2gh_2g5h_c_g:Au-C-H-I-P +mp-1189095,AgP(NO)2,-6.4054973867000005,-0.6034597562,0.5922595981000001,0.5922595981000001,GGA,P3_121,AB2C2D_hP18_152_a_c_c_b:Ag-N-O-P,18.0,AB2C2D_hP18_152_a_c_c_b:Ag-N-O-P +mp-1195618,Ag9P14(OF)28,-6.0863595891,-2.3736009292,0.0,-0.0451848607,GGA,P2_1/c,A9B28C28D14_mP158_14_a4e_14e_14e_7e:Ag-F-O-P,158.0,A9B28C28D14_mP158_14_a4e_14e_14e_7e:Ag-F-O-P +mp-1197801,Ag3P2N(O3F)2,-5.7428892893,-1.3740422785,0.3890556787,0.3890556787,GGA,C2,A3B2CD6E2_mC112_5_ab5c_4c_2c_12c_4c:Ag-F-N-O-P,56.0,A3B2CD6E2_mC112_5_ab5c_4c_2c_12c_4c:Ag-F-N-O-P +mp-558151,Ag2PO3F,-5.7492302311,-1.7735217147,0.0052982125,0.0052982125,GGA,C2/c,A2BC3D_mC56_15_aef_f_3f_f:Ag-F-O-P,28.0,"Invalid WP multiplicities - A2BC3D_mC56_15_c2e2f_f_9f_f:Ag-F-O-P, expected Ag7P2(O9F)2 to be Ag2PO3F" +mp-1194585,AgP(OF)2,-5.9254083583,-2.2650427138,0.0,-0.0327275541,GGA,C2/c,AB2C2D_mC96_15_2f_4f_4f_2ef:Ag-F-O-P,48.0,AB2C2D_mC96_15_2f_4f_4f_2ef:Ag-F-O-P +mp-647822,Pd2S9N4,-5.3105839518,0.0850021897,0.3271274785,0.3271274785,GGA,R-3,A4B2C9_hR270_148_4f_2f_9f:N-Pd-S,90.0,"Invalid WP multiplicities - A4B2C9_hR270_148_21f_5f_49f:N-Pd-S, expected Pd5(S7N3)7 to be Pd2S9N4" +mp-27722,Pd(S3N)2,-5.1151705956,0.0705595001,0.2723305742,0.2723305742,GGA,P2_1/c,A2BC6_mP36_14_2e_e_6e:N-Pd-S,36.0,"Invalid WP multiplicities - A2BC6_mP36_14_2e_e_10e:N-Pd-S, expected Pd(S5N)2 to be Pd(S3N)2" +mp-1179989,PdC4S4(IN4)2,-6.191707525,0.5598206512,0.8454018169,0.8454018169,GGA,C2/c,A4B2C8DE4_mC76_15_2f_f_4f_c_2f:C-I-N-Pd-S,38.0,A4B2C8DE4_mC76_15_2f_f_4f_a_2f:C-I-N-Pd-S +mp-1202068,PdC4S4(IN4)2,-6.33241978,0.4191083962,0.7046895619,0.7046895619,GGA,C2/c,A4B2C8DE4_mC76_15_2f_f_4f_c_2f:C-I-N-Pd-S,38.0,A4B2C8DE4_mC76_15_2f_f_4f_c_2f:C-I-N-Pd-S +mp-1200143,Pd(SN)4,-5.7217144447,0.3973589972,0.5991300712000001,0.5991300712000001,GGA,P2_1/c,A4BC4_mP36_14_4e_e_4e:N-Pd-S,36.0,A4BC4_mP36_14_4e_e_4e:N-Pd-S +mp-1210562,Pd(SN)4,-5.7133136543,0.4057597876,0.6075308617,0.6075308617,GGA,P2_1/c,A4BC4_mP72_14_8e_2e_8e:N-Pd-S,72.0,A4BC4_mP72_14_8e_2e_8e:N-Pd-S +mp-1194525,CoH12C2(I2N)2,-4.6334180079,-0.402712457,0.0368323568,0.0368323568,GGA,Pbca,A2BC12D4E2_oP168_61_2c_c_12c_4c_2c:C-Co-H-I-N,168.0,A2BC12D4E2_oP168_61_2c_c_12c_4c_2c:C-Co-H-I-N +mp-12021,AgBF4,-5.4393286413,-2.5796847006,0.0,-0.0934503523,GGA,Pnma,ABC4_oP24_62_c_c_2cd:Ag-B-F,24.0,ABC4_oP24_62_c_c_2cd:Ag-B-F +mp-5160,AgBF5,-5.1516987636,-2.4275069619,0.0,-0.031856558,GGA,P4/n,ABC5_tP14_85_c_a_cg:Ag-B-F,14.0,ABC5_tP14_85_c_a_cg:Ag-B-F +mp-24058,AgBH2OF4,-5.3760788281,-2.1660783341,0.0,-0.0189371936,GGA,Pbca,ABC4D2E_oP72_61_c_c_4c_2c_c:Ag-B-F-H-O,72.0,"Invalid WP multiplicities - ABC4D2E_oP72_61_c_c_10c_2c_c:Ag-B-F-H-O, expected AgBH2OF10 to be AgBH2OF4" +mp-542266,KSmP3HO10,-7.534798806299999,-2.8517671963,0.0,-0.0110895342,GGA,P-1,ABC10D3E_aP32_2_i_i_10i_3i_i:H-K-O-P-Sm,32.0,ABC10D3E_aP32_2_i_i_10i_3i_i:H-K-O-P-Sm +mp-542237,SmP4HO12,-7.7273371761,-2.7759601349,0.0,-0.0107711398,GGA,P-1,AB12C4D_aP36_2_i_12i_4i_i:H-O-P-Sm,36.0,AB12C4D_aP36_2_i_12i_4i_i:H-O-P-Sm +mp-738624,SmP2H9O11,-6.4075826978,-2.0383087249,0.0228822451,0.0228822451,GGA,P2_1/c,A9B11C2D_mP92_14_9e_11e_2e_e:H-O-P-Sm,92.0,A9B11C2D_mP92_14_9e_11e_2e_e:H-O-P-Sm +mp-24599,H8W3Se(NO6)2,-7.0661490479,-1.4682503974,0.056219521,0.056219521,GGA+U,P6_3,A8B2C12DE3_hP52_173_2b2c_2b_4c_a_c:H-N-O-Se-W,52.0,"Invalid WP multiplicities - A8B2C12DE3_hP52_173_3b6c_2b_8c_a_c:H-N-O-Se-W, expected H21W3Se(NO12)2 to be H8W3Se(NO6)2" +mp-25729,H8W3Se(NO6)2,-7.0662888837,-1.4683902332,0.0560796852,0.0560796852,GGA+U,P6_3mc,A8B2C12DE3_hP52_186_2b2c_2b_4c_a_c:H-N-O-Se-W,52.0,"Invalid WP multiplicities - A8B2C12DE3_hP52_186_3b6c_2b_8c_a_c:H-N-O-Se-W, expected H21W3Se(NO12)2 to be H8W3Se(NO6)2" +mp-1198041,H3Os4C12IO12,-7.9531351542,-0.8698456339,0.1887054306,0.1887054306,GGA,C2/c,A12B3CD12E4_mC128_15_6f_ef_e_6f_2f:C-H-I-O-Os,64.0,A12B3CD12E4_mC128_15_6f_ef_e_6f_2f:C-H-I-O-Os +mp-616196,OsC3I2O3,-7.2344065033,-0.934388421,0.0,-0.0492164551,GGA,C2/m,A3B2C3D_mC36_12_ij_gi_ij_i:C-I-O-Os,18.0,"Invalid WP multiplicities - A3B2C3D_mC36_12_2i3j_2gi_2i2j_i:C-I-O-Os, expected OsC8(IO2)3 to be OsC3I2O3" +mp-621944,Os3C12(IO6)2,-8.0867842766,-0.9580571926,0.1560510442,0.1560510442,GGA,P2_1/c,A12B2C12D3_mP58_14_6e_e_6e_ae:C-I-O-Os,58.0,"Invalid WP multiplicities - A12B2C12D3_mP58_14_18e_e_22e_a2e:C-I-O-Os, expected Os5C36(IO22)2 to be Os3C12(IO6)2" +mp-608354,OsC3IO3,-7.8437306944,-0.9403811455,0.0831215721,0.0831215721,GGA,P2_1/m,A3BC3D_mP32_11_3f_2e_3f_f:C-I-O-Os,32.0,"Invalid WP multiplicities - A3BC3D_mP32_11_9f_2e_9f_f:C-I-O-Os, expected OsC9IO9 to be OsC3IO3" +mp-738687,MnH19C6I3N2,-5.0638193141,-0.2222421528,0.1540188969,0.1540188969,GGA,P2_1/c,A6B19C3DE2_mP124_14_6e_19e_3e_e_2e:C-H-I-Mn-N,124.0,A6B19C3DE2_mP124_14_6e_19e_3e_e_2e:C-H-I-Mn-N +mp-1182437,C3S2(OF2)2,-6.2702879641,-1.406816191,0.1474447166,0.1474447166,GGA,P2_1/c,A3B4C2D2_mP44_14_3e_4e_2e_2e:C-F-O-S,44.0,"Invalid WP multiplicities - A3B4C2D2_mP44_14_7e_12e_4e_7e:C-F-O-S, expected C7S7(OF3)4 to be C3S2(OF2)2" +mp-1214213,C3S2(OF2)2,-6.2690531157,-1.4055813426,0.148679565,0.148679565,GGA,P2_1/c,A3B4C2D2_mP44_14_3e_4e_2e_2e:C-F-O-S,44.0,A3B4C2D2_mP44_14_3e_4e_2e_2e:C-F-O-S +mp-555888,C2S(OF)4,-6.2676775595,-1.7198183262,0.2111702265,0.2111702265,GGA,P2_1/c,A2B4C4D_mP44_14_2e_4e_4e_e:C-F-O-S,44.0,"Invalid WP multiplicities - A2B4C4D_mP44_14_8e_13e_15e_e:C-F-O-S, expected C8SO15F13 to be C2S(OF)4" +mp-9804,KHo(CO3)2,-7.962507478,-2.5794803711,0.0,-0.1389035049,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-Ho-K-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-Ho-K-O +mp-767414,K2HoPCO7,-7.4661597375,-2.7934934257,0.0237871999999999,0.0237871999999999,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ho-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ho-K-O-P, expected K2HoPCO13 to be K2HoPCO7" +mp-568081,H32WC8N4Cl7,-5.1112833347,-0.4643521053,0.0860262789,0.0860262789,GGA,P2_12_12,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-W,104.0,"Invalid WP multiplicities - A8B7C32D4E_oP104_18_15c_2a8c_59c_6c_b:C-Cl-H-N-W, expected H118WC30(N2Cl3)6 to be H32WC8N4Cl7" +mp-570642,H12W3C4NCl9,-5.5216866109,-0.6432352293,0.0857039487,0.0857039487,GGA,P-3m1,A4B9C12DE3_hP58_164_di_g2i_2ij_d_i:C-Cl-H-N-W,58.0,"Invalid WP multiplicities - A4B9C12DE3_hP58_164_2d3i_4g7i_12i8j_d_i:C-Cl-H-N-W, expected H84W3C11NCl33 to be H12W3C4NCl9" +mp-780738,H4WNCl6,-4.8933824979,-1.06365339,0.0,-0.0051276027,GGA,C2/c,A6B4CD_mC48_15_3f_2f_e_c:Cl-H-N-W,24.0,"Invalid WP multiplicities - A6B4CD_mC48_15_7f_7f_e_a:Cl-H-N-W, expected H14WNCl14 to be H4WNCl6" +mp-1203177,H18WC6,-5.1718734976,0.0040941822,0.2427709737,0.2427709737,GGA,Pca2_1,A6B18C_oP200_29_12a_36a_2a:C-H-W,200.0,A6B18C_oP200_29_12a_36a_2a:C-H-W +mp-1204809,Rb2PH6(SO)3,-4.8954103528,-1.2300675091,0.0161229568,0.0161229568,GGA,P2_1/c,A6B3CD2E3_mP60_14_6e_3e_e_2e_3e:H-O-P-Rb-S,60.0,A6B3CD2E3_mP60_14_6e_3e_e_2e_3e:H-O-P-Rb-S +mp-695237,Rb2PH3SO8,-5.641005188,-1.5568379651000002,0.524352464,0.524352464,GGA,P-1,A3B8CD2E_aP30_2_be2i_8i_i_2i_i:H-O-P-Rb-S,30.0,"Invalid WP multiplicities - A3B8CD2E_aP30_2_be4i_15i_i_3i_i:H-O-P-Rb-S, expected Rb3PH5SO15 to be Rb2PH3SO8" +mp-1202352,B10H18C2S,-4.9813011947,-0.127857086,0.1100551593,0.1100551593,GGA,P2_1/c,A10B2C18D_mP248_14_20e_4e_36e_2e:B-C-H-S,248.0,A10B2C18D_mP248_14_20e_4e_36e_2e:B-C-H-S +mp-1204780,B10H18C2S,-4.9804500824,-0.1270059737,0.1109062715,0.1109062715,GGA,P2_12_12_1,A10B2C18D_oP124_19_10a_2a_18a_a:B-C-H-S,124.0,A10B2C18D_oP124_19_10a_2a_18a_a:B-C-H-S +mp-2647158,HoB3H18C2S,-4.5935662212,-0.2622288674,0.1155278656,0.1155278656,GGA,P2_1/c,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-Ho-S,100.0,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-Ho-S +mp-1194767,B3H7C2S,-5.2465323377,-0.1402986085,0.1471784721,0.1471784721,GGA,Cc,A3B2C7D_mC156_9_9a_6a_21a_3a:B-C-H-S,78.0,A3B2C7D_mC156_9_9a_6a_21a_3a:B-C-H-S +mp-1224577,Ho9B5S21,-6.3612340851,-1.7468316312,0.0395931525,0.0395931525,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:B-Ho-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:B-Ho-S, expected Ho24B5S51 to be Ho9B5S21" +mp-2647019,HoBH4,-4.4394084872,-0.3006243504,0.2508248206,0.2508248206,GGA,C2,AB4C_mC36_5_ac_6c_ac:B-H-Ho,18.0,AB4C_mC36_5_ac_6c_ac:B-H-Ho +mp-1196291,B20H30C2S,-4.9712192174,-0.1039852999999999,0.1134825596,0.1134825596,GGA,P2_1/c,A20B2C30D_mP212_14_20e_2e_30e_e:B-C-H-S,212.0,A20B2C30D_mP212_14_20e_2e_30e_e:B-C-H-S +mp-643086,MoP4C5S3O5,-7.0841883796,-0.6516894487,0.5524796918,0.5524796918,GGA+U,P2_1/c,A5BC5D4E3_mP144_14_10e_2e_10e_8e_6e:C-Mo-O-P-S,144.0,"Invalid WP multiplicities - A5BC5D4E3_mP144_14_38e_6e_38e_29e_18e:C-Mo-O-P-S, expected Mo6P29C38(S9O19)2 to be MoP4C5S3O5" +mp-541566,K2MgB12(H2O3)10,-6.7537977365,-2.1348906375,0.0074282077,0.0074282077,GGA,P-1,A12B20C2DE30_aP65_2_6i_10i_i_a_15i:B-H-K-Mg-O,65.0,A12B20C2DE30_aP65_2_6i_10i_i_a_15i:B-H-K-Mg-O +mp-1040380,KMg30BO31,-6.1922262633,-2.8724557512,0.1209022741,0.1209022741,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i:B-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i:B-K-Mg-O, expected KMg38BO39 to be KMg30BO31" +mp-1040287,KMg30BO31,-6.195906041,-2.8761355288,0.1172224965,0.1172224965,GGA,Pmm2,ABC30D31_oP63_25_a_b_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i:B-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_b_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i:B-K-Mg-O, expected KMg38BO39 to be KMg30BO31" +mp-1040315,KMg30BO31,-6.1680622454,-2.8482917332,0.145066292,0.145066292,GGA,Pmm2,ABC30D31_oP63_25_a_d_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i:B-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_oP63_25_a_d_a2b2cd2e2f4g4h2i_2ab2c2d2e2f4g4h2i:B-K-Mg-O, expected KMg38BO39 to be KMg30BO31" +mp-1040297,KMg30BO31,-6.1576254429,-2.8378549307,0.1555030946,0.1555030946,GGA,P4mm,ABC30D31_tP63_99_a_b_ab2c2d2e2f_2ab2c2d2e2f:B-K-Mg-O,63.0,"Invalid WP multiplicities - ABC30D31_tP63_99_a_b_ab2c2d6e6f_2ab2c2d6e6f:B-K-Mg-O, expected KMg62BO63 to be KMg30BO31" +mp-1021406,KMg6B,-1.7612847656,0.4126491116,0.4484650026,0.4484650026,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-K-Mg, expected KMg12B to be KMg6B" +mp-1021467,KMg6B,-1.8687853656,0.3051485116,0.3409644026,0.3409644026,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:B-K-Mg, expected KMg12B to be KMg6B" +mp-1031258,KMg6BO8,-6.0769278306,-2.5166165364,0.4375678555,0.4375678555,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-K-Mg-O, expected KMg6BO12 to be KMg6BO8" +mp-1031308,KMg6BO8,-5.8500180681,-2.2897067739,0.664477618,0.664477618,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-K-Mg-O, expected KMg6BO12 to be KMg6BO8" +mp-1035823,KMg14BO16,-6.2033943231,-2.7864964857,0.2176158599,0.2176158599,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-K-Mg-O, expected KMg18BO20 to be KMg14BO16" +mp-1035582,KMg14BO16,-6.1263515728,-2.7094537354,0.2946586102,0.2946586102,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-K-Mg-O, expected KMg30BO32 to be KMg14BO16" +mp-1026871,KMg14B,-1.6425169363,0.2445900274,0.2707701713,0.2707701713,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-K-Mg, expected KMg18B to be KMg14B" +mp-1026827,KMg14B,-1.6010143319,0.2860926317,0.3122727757,0.3122727757,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-K-Mg, expected KMg26B to be KMg14B" +mp-1031240,KMg6BO7,-5.6912634287,-2.2233772956,0.5757974525,0.5757974525,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_a2b2c:B-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_a2b4c:B-K-Mg-O, expected KMg10BO11 to be KMg6BO7" +mp-1031257,KMg6BO7,-5.7008641227,-2.2329779896,0.5661967585000001,0.5661967585000001,GGA,P4mm,ABC6D7_tP15_99_a_a_2b2c_2ab2c:B-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_a_2b4c_2ab4c:B-K-Mg-O, expected KMg10BO11 to be KMg6BO7" +mp-1031271,KMg6BO7,-5.4909734393,-2.0230873062,0.7760874418,0.7760874418,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_2ab2c:B-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_2ab4c:B-K-Mg-O, expected KMg10BO11 to be KMg6BO7" +mp-1031273,KMg6BO7,-5.491597354,-2.0237112209,0.7754635272,0.7754635272,GGA,P4mm,ABC6D7_tP15_99_a_b_ab2c_a2b2c:B-K-Mg-O,15.0,"Invalid WP multiplicities - ABC6D7_tP15_99_a_b_ab4c_a2b4c:B-K-Mg-O, expected KMg10BO11 to be KMg6BO7" +mp-1035645,KMg14BO15,-5.9581578642,-2.5906081195,0.340110139,0.340110139,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-K-Mg-O +mp-1035680,KMg14BO15,-6.0335708281,-2.6660210833,0.2646971751,0.2646971751,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_a2b2c2d2e2f:B-K-Mg-O +mp-1035758,KMg14BO15,-6.0019582161,-2.6344084714,0.296309787,0.296309787,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-K-Mg-O +mp-1035836,KMg14BO15,-6.0404352661,-2.6728855214,0.257832737,0.257832737,GGA,Pmm2,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-K-Mg-O,31.0,ABC14D15_oP31_25_a_c_a2bc2d2e2f_2a2bc2d2e2f:B-K-Mg-O +mp-1197682,K2Mg(BH4)4,-4.1081832842,-0.4202588604,0.0155354533,0.0155354533,GGA,P2_1/c,A4B16C2D_mP92_14_4e_16e_2e_e:B-H-K-Mg,92.0,A4B16C2D_mP92_14_4e_16e_2e_e:B-H-K-Mg +mp-1191101,KMgBO3,-6.8261140296,-2.7877578793,0.0,-0.0031042596,GGA,P2_13,ABCD3_cP24_198_a_a_a_b:B-K-Mg-O,24.0,ABCD3_cP24_198_a_a_a_b:B-K-Mg-O +mp-707457,KMg2B12H19O30,-6.8248126517,-2.1790920816,0.0060992708,0.0060992708,GGA,C2/c,A12B19CD2E30_mC256_15_6f_e9f_e_f_15f:B-H-K-Mg-O,128.0,A12B19CD2E30_mC256_15_6f_e9f_e_f_15f:B-H-K-Mg-O +mp-1040205,KMg30BO32,-6.2722457739,-2.9270546649,0.1020216576,0.1020216576,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-K-Mg-O, expected KMg90BO80 to be KMg30BO32" +mp-1040196,KMg30BO32,-6.2387498819000005,-2.8935587728,0.1355175496,0.1355175496,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-K-Mg-O, expected KMg110BO72 to be KMg30BO32" +mp-556502,K2NiP2WO10,-7.5125210631,-2.434236255,0.0,-0.0260800293,GGA+U,P4_12_12,A2BC10D2E_tP64_92_b_a_5b_b_a:K-Ni-O-P-W,64.0,"Invalid WP multiplicities - A2BC10D2E_tP64_92_b_a_32b_b_a:K-Ni-O-P-W, expected K2NiP2WO64 to be K2NiP2WO10" +mp-1194589,GeH6C2(SO3)2,-5.7804480987,-0.9928159157,0.271714488,0.271714488,GGA,P4_12_12,A2BC6D6E2_tP68_92_b_a_3b_3b_b:C-Ge-H-O-S,68.0,A2BC6D6E2_tP68_92_b_a_3b_3b_b:C-Ge-H-O-S +mp-1202092,ZrP2N3O10,-7.4292296481,-1.5635623024,0.5721516684,0.5721516684,GGA,P1,A3B10C2D_aP32_1_6a_20a_4a_2a:N-O-P-Zr,32.0,A3B10C2D_aP32_1_6a_20a_4a_2a:N-O-P-Zr +mp-559369,Zr2H12(N2O7)5,-6.5575953325,-1.2303551979,0.0,-0.0155146442,GGA,P-3c1,A12B10C35D2_hP118_165_2g_afg_cf5g_d:H-N-O-Zr,118.0,"Invalid WP multiplicities - A12B10C35D2_hP118_165_16g_2a4f5g_4c5f52g_d:H-N-O-Zr, expected Zr2H96N44O335 to be Zr2H12(N2O7)5" +mp-39770,Zr2P3H4NO12,-7.8119013545,-2.6026753355,0.0,-0.026439898,GGA,R3c,A4BC12D3E2_hR132_161_ab_a_4b_b_2a:H-N-O-P-Zr,44.0,"Invalid WP multiplicities - A4BC12D3E2_hR132_161_2ab_a_16b_b_4a:H-N-O-P-Zr, expected Zr4P3H5NO48 to be Zr2P3H4NO12" +mp-1191165,ZrP2NO8,-7.7010055237,-2.0939796689,0.5818568654,0.5818568654,GGA,P2_1/m,AB8C2D_mP24_11_e_4e2f_2e_e:N-O-P-Zr,24.0,AB8C2D_mP24_11_e_4e2f_2e_e:N-O-P-Zr +mp-1019895,La3BN2O3,-8.70198505,-2.8130440423,0.0331138437,0.0331138437,GGA,Pnma,AB3C2D3_oP36_62_c_3c_2c_3c:B-La-N-O,36.0,AB3C2D3_oP36_62_c_3c_2c_3c:B-La-N-O +mp-1196436,LaB5H5NO14,-7.3780411177,-2.2670129228,0.0014671815,-0.0009839299,GGA,P2_1/c,A5B5CDE14_mP104_14_5e_5e_e_e_14e:B-H-La-N-O,104.0,A5B5CDE14_mP104_14_5e_5e_e_e_14e:B-H-La-N-O +mp-1202407,LaB5H5NO14,-7.3795082992,-2.2684801044,0.0,-0.0024511114,GGA,P2_1/c,A5B5CDE14_mP104_14_5e_5e_e_e_14e:B-H-La-N-O,104.0,A5B5CDE14_mP104_14_5e_5e_e_e_14e:B-H-La-N-O +mp-560824,La6B(NO2)3,-8.6935727928,-3.0070070776,0.0023858952,0.0023858952,GGA,Cmcm,AB6C3D6_oC64_63_c_2c2f_cf_ac2f:B-La-N-O,32.0,"Invalid WP multiplicities - AB6C3D6_oC64_63_c_4c6f_2c2f_a2c5f:B-La-N-O, expected La16BN6O13 to be La6B(NO2)3" +mp-1203920,LaB5NO14,-7.5021637487,-1.9820159943,0.3478841279,0.3478841279,GGA,P2_1/c,A5BCD14_mP84_14_5e_e_e_14e:B-La-N-O,84.0,A5BCD14_mP84_14_5e_e_e_14e:B-La-N-O +mp-1223809,KMoP3WO12,-8.1289874029,-2.5448567728,0.0023343715,0.0023343715,GGA+U,P2_12_12,ABC12D3E_oP72_18_c_c_12c_ab2c_c:K-Mo-O-P-W,72.0,ABC12D3E_oP72_18_c_c_12c_ab2c_c:K-Mo-O-P-W +mp-16812,KVP2O7,-7.8035557136,-2.7446710764,0.0,-0.0476958777,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-V,44.0,AB7C2D_mP44_14_e_7e_2e_e:K-O-P-V +mp-557659,KV4P7O24,-8.0884432419,-2.6978968574,0.0,-0.0002185252,GGA+U,P-1,AB24C7D4_aP72_2_i_24i_7i_4i:K-O-P-V,72.0,"Invalid WP multiplicities - AB24C7D4_aP72_2_i_45i_13i_8i:K-O-P-V, expected KV8P13O45 to be KV4P7O24" +mp-1223432,KV3(PO4)4,-8.0378693933,-2.6561049532,0.0070718021,0.0070718021,GGA+U,P2_1,AB16C4D3_mP48_4_a_16a_4a_3a:K-O-P-V,48.0,AB16C4D3_mP48_4_a_16a_4a_3a:K-O-P-V +mp-1200624,K2V3(PO5)4,-7.4983484529,-2.3238829234,0.095995938,0.095995938,GGA+U,P-1,A2B20C4D3_aP58_2_2i_20i_4i_3i:K-O-P-V,58.0,A2B20C4D3_aP58_2_2i_20i_4i_3i:K-O-P-V +mp-1224907,K6V6P6O31,-7.6201144392,-2.5794410679,0.0418582915,0.0418582915,GGA+U,Pmn2_1,A6B31C6D6_oP98_31_2a2b_7a12b_2a2b_2a2b:K-O-P-V,98.0,"Invalid WP multiplicities - A6B31C6D6_oP98_31_3a6b_10a36b_2a6b_3a6b:K-O-P-V, expected K15V15(P7O41)2 to be K6V6P6O31" +mp-1224467,K2V3P4O17,-7.8373254763,-2.6365780063,0.0180537918,0.0180537918,GGA+U,Pc,A2B17C4D3_mP52_7_2a_17a_4a_3a:K-O-P-V,52.0,"Invalid WP multiplicities - A2B17C4D3_mP52_7_3a_25a_6a_4a:K-O-P-V, expected K3V4P6O25 to be K2V3P4O17" +mp-561159,K2V3P4O17,-7.7917235001,-2.59097603,0.063655768,0.063655768,GGA+U,Pna2_1,A2B17C4D3_oP104_33_2a_17a_4a_3a:K-O-P-V,104.0,"Invalid WP multiplicities - A2B17C4D3_oP104_33_4a_66a_14a_10a:K-O-P-V, expected K2V5P7O33 to be K2V3P4O17" +mp-18935,K2V(PO4)2,-7.4205381454,-2.6740136325,0.0,-0.00413731,GGA+U,P4bm,A2B8C2D_tP26_100_c_abcd_c_a:K-O-P-V,26.0,A2B8C2D_tP26_100_c_abcd_c_a:K-O-P-V +mp-559431,KVPO5,-7.697696932499999,-2.6550655475,0.0,-0.0088590408,GGA+U,P2_12_12_1,AB5CD_oP32_19_a_5a_a_a:K-O-P-V,32.0,"Invalid WP multiplicities - AB5CD_oP32_19_a_18a_a_a:K-O-P-V, expected KVPO18 to be KVPO5" +mp-19517,KVPO5,-7.6278555939,-2.5852242089,0.0698413386,0.0609822978,GGA+U,Pna2_1,AB5CD_oP64_33_2a_10a_2a_2a:K-O-P-V,64.0,"Invalid WP multiplicities - AB5CD_oP64_33_3a_13a_2a_3a:K-O-P-V, expected K3V3P2O13 to be KVPO5" +mp-761139,K2LiVPO6,-6.9072525623,-2.5157015073,0.083934747,0.083934747,GGA+U,P2_1/c,A2BC6DE_mP44_14_2e_e_6e_e_e:K-Li-O-P-V,44.0,"Invalid WP multiplicities - A2BC6DE_mP44_14_3e_e_23e_e_e:K-Li-O-P-V, expected K3LiVPO23 to be K2LiVPO6" +mp-619577,K2V2P4O15,-7.689002728,-2.6349961746,0.023850369,0.023850369,GGA+U,Pbca,A2B15C4D2_oP184_61_2c_15c_4c_2c:K-O-P-V,184.0,"Invalid WP multiplicities - A2B15C4D2_oP184_61_10c_111c_30c_7c:K-O-P-V, expected K10V7(P10O37)3 to be K2V2P4O15" +mp-1197761,KV2PO8,-7.8505652518,-2.4951466448,0.0015132094,-0.0161769282,GGA+U,P-1,AB8CD2_aP96_2_4i_32i_4i_8i:K-O-P-V,96.0,AB8CD2_aP96_2_4i_32i_4i_8i:K-O-P-V +mp-557947,KV2PO8,-7.8520784611,-2.4966598542,0.0,-0.0176901376,GGA+U,Pna2_1,AB8CD2_oP96_33_2a_16a_2a_4a:K-O-P-V,96.0,"Invalid WP multiplicities - AB8CD2_oP96_33_6a_60a_4a_13a:K-O-P-V, expected K6V13(PO15)4 to be KV2PO8" +mp-1195351,KV2PO11,-6.8389702068,-1.565297579,0.4320303043,0.4320303043,GGA+U,P2_12_12_1,AB11CD2_oP60_19_a_11a_a_2a:K-O-P-V,60.0,AB11CD2_oP60_19_a_11a_a_2a:K-O-P-V +mp-1204086,KV2(PO5)3,-7.3415074656,-2.1168194048,0.1912224231,0.1912224231,GGA+U,P2_1/c,AB15C3D2_mP84_14_e_15e_3e_2e:K-O-P-V,84.0,AB15C3D2_mP84_14_e_15e_3e_2e:K-O-P-V +mp-558956,K2VPO6,-7.2168242345,-2.5770103607,0.0,-0.0256660777,GGA+U,P2_1/c,A2B6CD_mP40_14_2e_6e_e_e:K-O-P-V,40.0,"Invalid WP multiplicities - A2B6CD_mP40_14_4e_17e_e_e:K-O-P-V, expected K4VPO17 to be K2VPO6" +mp-1211800,KVPO6,-7.3676632321,-2.3356921442,0.0762643663,0.0762643663,GGA+U,Pbca,AB6CD_oP72_61_c_6c_c_c:K-O-P-V,72.0,AB6CD_oP72_61_c_6c_c_c:K-O-P-V +mp-557046,K3V(PO4)2,-7.0230056418,-2.5362043836,0.1017946347,0.1017946347,GGA+U,P2_1/c,A3B8C2D_mP112_14_6e_16e_4e_2e:K-O-P-V,112.0,"Invalid WP multiplicities - A3B8C2D_mP112_14_21e_61e_12e_5e:K-O-P-V, expected K21V5P12O61 to be K3V(PO4)2" +mp-14929,KV3P4O17,-7.9664621923,-2.6021007813,0.0060976703,0.0060976703,GGA+U,P2_12_12_1,AB17C4D3_oP100_19_a_17a_4a_3a:K-O-P-V,100.0,"Invalid WP multiplicities - AB17C4D3_oP100_19_a_19a_4a_4a:K-O-P-V, expected KV4P4O19 to be KV3P4O17" +mp-1022965,K3V2(PO4)3,-7.5018252045,-2.6468661527,0.0287170928,0.0287170928,GGA+U,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:K-O-P-V,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_af_23f_2e3f_f:K-O-P-V, expected K3V2(P4O23)2 to be K3V2(PO4)3" +mp-560736,K3V3(BiO6)2,-7.1607051732,-2.2794972809000003,0.0,-0.0392190461,GGA+U,C2/c,A2B3C12D3_mC80_15_f_a2e_6f_ef:Bi-K-O-V,40.0,"Invalid WP multiplicities - A2B3C12D3_mC80_15_f_2a3e_22f_e2f:Bi-K-O-V, expected K5V5(BiO22)2 to be K3V3(BiO6)2" +mp-1520212,KVBiWO6,-7.660886238,-1.9935805736,0.1786959536,0.1786959536,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Bi-K-O-V-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:Bi-K-O-V-W +mp-1029932,LiVN2,-7.9299193594,-1.0134646627,0.0,-0.0132062752,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Li-N-V,16.0,AB2C_oP16_33_a_2a_a:Li-N-V +mp-1246112,Li2VN2,-6.778486242,-0.8635379113,0.1507944781,0.1507944781,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Li-N-V,5.0,A2B2C_hP5_164_d_d_a:Li-N-V +mp-1246409,LiVN,-7.1414593567,-0.6983514028000001,0.2861221787,0.2861221787,GGA,Pnma,ABC_oP12_62_c_c_c:Li-N-V,12.0,ABC_oP12_62_c_c_c:Li-N-V +mp-729119,LiV5H18N2O19,-6.4540026081,-1.5860559994,0.0731359395,0.0731359395,GGA+U,P-1,A18BC2D19E5_aP90_2_18i_i_2i_19i_5i:H-Li-N-O-V,90.0,A18BC2D19E5_aP90_2_18i_i_2i_19i_5i:H-Li-N-O-V +mp-582259,Li7VN4,-5.5472478675,-0.8978857144,0.007121111,-0.255535816,GGA,P4_2/nmc,A7B4C_tP24_137_adf_g_b:Li-N-V,24.0,"Invalid WP multiplicities - A7B4C_tP24_137_2a4d3f_g_b:Li-N-V, expected Li22VN4 to be Li7VN4" +mp-4604,Li7VN4,-5.5543689785,-0.9050068255,0.0,-0.2626569271,GGA,Pa-3,A7B4C_cP96_205_c2d_cd_c:Li-N-V,96.0,"Invalid WP multiplicities - A7B4C_cP96_205_c5d_cd_c:Li-N-V, expected Li16VN4 to be Li7VN4" +mp-4825,Li7VN4,-5.5510061449,-0.9016439918,0.0033628336,-0.2592940934,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Li-N-V,96.0,"Invalid WP multiplicities - A7B4C_cP96_218_b3c2ef2i_ei_ad:Li-N-V, expected Li25(VN4)2 to be Li7VN4" +mp-1246631,Li3V6N11,-8.429242095,-0.8326596353,0.1904294085,0.1904294085,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Li-N-V,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Li-N-V +mp-1029338,LiV2N3,-8.6381239267,-1.1237539631,0.0,-0.0007705037,GGA,Cmcm,AB3C2_oC24_63_c_cg_g:Li-N-V,12.0,AB3C2_oC24_63_c_cg_g:Li-N-V +mp-1247005,Li3VN2,-5.7816592229,-0.5343818029,0.3971139412,0.3971139412,GGA,I4_1/amd,A3B2C_tI48_141_eg_h_e:Li-N-V,24.0,A3B2C_tI48_141_eg_h_e:Li-N-V +mp-1247342,Li3VN2,-6.0141501715,-0.7668727515,0.1646229927,0.1646229927,GGA,Ia-3,A3B2C_cI96_206_e_ad_c:Li-N-V,48.0,A3B2C_cI96_206_e_ad_c:Li-N-V +mp-555154,K3VCO8,-6.3566728692,-1.6476514774000002,0.2573047175,0.2573047175,GGA+U,Cm,AB3C8D_mC26_8_a_ab_4a2b_a:C-K-O-V,13.0,"Invalid WP multiplicities - AB3C8D_mC26_8_a_ab_4a3b_a:C-K-O-V, expected K3VCO10 to be K3VCO8" +mp-561406,K3Nb6VO19,-8.6527290138,-2.8937628529,0.0,-0.0038506075,GGA+U,P-62m,A3B6C19D_hP116_189_fgi_eh3i_fgh5i3l_h:K-Nb-O-V,116.0,"Invalid WP multiplicities - A3B6C19D_hP116_189_2fg3i_2e4h13i_3f3g4h29i31l_h:K-Nb-O-V, expected K27Nb98V4O580 to be K3Nb6VO19" +mp-1224543,K2NbV(PO5)2,-7.8127159153,-2.7064970947,0.0775300763,0.0775300763,GGA+U,Pna2_1,A2BC10D2E_oP64_33_2a_a_10a_2a_a:K-Nb-O-P-V,64.0,A2BC10D2E_oP64_33_2a_a_10a_2a_a:K-Nb-O-P-V +mp-1194929,KNbV2O8,-8.3326376992,-2.5865522144,0.0068675996,0.0068675996,GGA+U,Pnma,ABC8D2_oP48_62_c_c_4c2d_2c:K-Nb-O-V,48.0,ABC8D2_oP48_62_c_c_4c2d_2c:K-Nb-O-V +mp-23983,V2NiP2(H4O7)2,-6.7921763867,-1.9340280848,0.0074604367,0.0074604367,GGA+U,I4/m,A8BC14D2E2_tI54_87_i_a_ehi_d_e:H-Ni-O-P-V,27.0,"Invalid WP multiplicities - A8BC14D2E2_tI54_87_i_a_2eh2i_d_e:H-Ni-O-P-V, expected V2NiP2(HO3)8 to be V2NiP2(H4O7)2" +mp-735524,VP2(HO)6,-6.1386287307,-1.4754954226,0.1450867287,0.1450867287,GGA+U,C2/c,A6B6C2D_mC60_15_3f_2e2f_f_e:H-O-P-V,30.0,A6B6C2D_mC60_15_3f_2e2f_f_e:H-O-P-V +mp-766832,VPH5O7,-6.5614074354,-1.8408603082,0.0611483195,0.0611483195,GGA+U,P2_1/c,A5B7CD_mP56_14_5e_7e_e_e:H-O-P-V,56.0,"Invalid WP multiplicities - A5B7CD_mP56_14_15e_23e_e_e:H-O-P-V, expected VPH15O23 to be VPH5O7" +mp-1195952,VPH5O7,-6.6141834282000005,-1.893636301,0.0083723266,0.0083723266,GGA+U,P2_1/c,A5B7CD_mP56_14_5e_7e_e_e:H-O-P-V,56.0,A5B7CD_mP56_14_5e_7e_e_e:H-O-P-V +mp-504844,VP3(HO5)2,-7.5112848656,-2.4127753161,0.0,-0.0104938461,GGA+U,P2_1/c,A2B10C3D_mP64_14_2e_10e_3e_e:H-O-P-V,64.0,A2B10C3D_mP64_14_2e_10e_3e_e:H-O-P-V +mp-504754,VP2H4O9,-6.9878073347,-2.1127064807,0.0112095317,0.0112095317,GGA+U,P4/ncc,A4B9C2D_tP64_130_g_c2g_f_c:H-O-P-V,64.0,A4B9C2D_tP64_130_g_c2g_f_c:H-O-P-V +mp-1201989,VP3(HO)6,-6.2080739682,-1.4980550852,0.031496228,0.031496228,GGA+U,P2_1/c,A6B6C3D_mP128_14_12e_12e_6e_2e:H-O-P-V,128.0,A6B6C3D_mP128_14_12e_12e_6e_2e:H-O-P-V +mp-1197101,VP(HO)9,-6.1680057581,-1.690408689,0.0256135565,0.0256135565,GGA+U,P-1,A9B9CD_aP80_2_18i_18i_2i_2i:H-O-P-V,80.0,A9B9CD_aP80_2_18i_18i_2i_2i:H-O-P-V +mp-755425,V2P4H3O16,-7.442401012799999,-2.2765522255,0.0768532889,0.0768532889,GGA+U,P1,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-V,25.0,A3B16C4D2_aP25_1_3a_16a_4a_2a:H-O-P-V +mp-1198775,V2P2H2O11,-7.5368076509,-2.2313108822,0.0545562654,0.0545562654,GGA+U,Pmmn,A2B11C2D2_oP34_59_e_a2efg_e_f:H-O-P-V,34.0,A2B11C2D2_oP34_59_e_a2efg_e_f:H-O-P-V +mp-1238064,VPH11O9,-5.4828254216,-1.103852991,0.5133170439,0.5133170439,GGA+U,P4_1,A11B9CD_tP88_76_11a_9a_a_a:H-O-P-V,88.0,A11B9CD_tP88_76_11a_9a_a_a:H-O-P-V +mp-1335176,VPH11O9,-5.4873872658,-1.1084148352,0.5087551997,0.5087551997,GGA+U,P4_3,A11B9CD_tP88_78_11a_9a_a_a:H-O-P-V,88.0,A11B9CD_tP88_78_11a_9a_a_a:H-O-P-V +mp-1366251,VPH11O9,-5.4053520966,-1.026379666,0.5907903689,0.5907903689,GGA+U,P4_3,A11B9CD_tP88_78_11a_9a_a_a:H-O-P-V,88.0,A11B9CD_tP88_78_11a_9a_a_a:H-O-P-V +mp-1101197,VPHO5,-7.6948968553,-2.3669745831,0.0,-0.0177388782,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_ab:H-O-P-V,32.0,AB5CD_aP16_2_i_5i_i_ab:H-O-P-V +mp-1388529,VPHO5,-4.9088594744,0.4190627979,2.7860373809,2.7682985027,GGA+U,P-1,AB5CD_aP16_2_i_5i_i_ab:H-O-P-V,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_ab:H-O-P-V, expected VPHO9 to be VPHO5" +mp-695981,VP(H2O3)2,-6.8076781308,-1.9953243788,0.0,-0.0033450146,GGA+U,P2_1/c,A4B6CD_mP48_14_4e_6e_e_e:H-O-P-V,48.0,A4B6CD_mP48_14_4e_6e_e_e:H-O-P-V +mp-744747,V2P2H4O11,-7.2626016486,-2.1584491666,0.0372221697,0.0372221697,GGA+U,P2_1/c,A4B11C2D2_mP76_14_4e_11e_2e_2e:H-O-P-V,76.0,A4B11C2D2_mP76_14_4e_11e_2e_2e:H-O-P-V +mp-751967,V2NiP2H6O13,-6.6115233865,-1.6349457469000002,0.3889720872,0.3889720872,GGA+U,Pnma,A6BC13D2E2_oP96_62_2c2d_c_3c5d_d_2c:H-Ni-O-P-V,96.0,A6BC13D2E2_oP96_62_2c2d_c_3c5d_d_2c:H-Ni-O-P-V +mp-1179562,V2NiP2H6O13,-6.9906622343,-2.0140845947,0.0098332394,0.0098332394,GGA+U,Pnma,A6BC13D2E2_oP96_62_2c2d_c_3c5d_d_2c:H-Ni-O-P-V,96.0,A6BC13D2E2_oP96_62_2c2d_c_3c5d_d_2c:H-Ni-O-P-V +mp-1194644,KFeSO4F,-6.6285959345,-2.201707955,0.0,-0.0216170894,GGA+U,C2/c,ABCD4E_mC128_15_2f_2ef_2f_8f_2f:F-Fe-K-O-S,64.0,ABCD4E_mC128_15_2f_2ef_2f_8f_2f:F-Fe-K-O-S +mp-772843,KSiPCO7,-7.5895517636,-2.5164148586,0.0808966868,0.0808966868,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Si,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Si, expected KSiPCO13 to be KSiPCO7" +mp-556690,CsU6F25,-7.5561847783,-3.9177211339,0.0,-0.0136885656,GGA,P6_3/mmc,AB25C6_hP64_194_c_efhi2k_k:Cs-F-U,64.0,"Invalid WP multiplicities - AB25C6_hP64_194_c_4e4f6h9i17k_k:Cs-F-U, expected CsU6F190 to be CsU6F25" +mp-1205746,Cs3UF6,-5.752914719,-3.2082656259,0.0,-0.0050887515,GGA,I4/mmm,A3B6C_tI20_139_bd_ei_a:Cs-F-U,10.0,A3B6C_tI20_139_bd_ei_a:Cs-F-U +mp-1213795,Cs2UF7,-6.2343830098,-3.5881262571,0.0211070692,0.0211070692,GGA,P2_1/c,A2B7C_mP40_14_2e_7e_e:Cs-F-U,40.0,A2B7C_mP40_14_2e_7e_e:Cs-F-U +mp-1197993,CsU(OF)3,-6.9673817462,-2.872217319,0.1595406624,0.1595406624,GGA,P2_1/c,AB3C3D_mP32_14_e_3e_3e_e:Cs-F-O-U,32.0,AB3C3D_mP32_14_e_3e_3e_e:Cs-F-O-U +mp-39066,CsU2F9,-7.1891377475,-3.7990099892,0.0021494942,-0.0007485329,GGA,P1,AB9C2_aP24_1_2a_18a_4a:Cs-F-U,24.0,AB9C2_aP24_1_2a_18a_4a:Cs-F-U +mp-1372062,CsU2F9,-4.0837635275,-0.6936357692,3.1075237142,3.1046256871,GGA,P1,AB9C2_aP24_1_2a_18a_4a:Cs-F-U,24.0,AB9C2_aP24_1_2a_18a_4a:Cs-F-U +mp-1225971,CsU2F9,-7.1912872417,-3.8011594834,0.0,-0.0028980271,GGA,Cc,AB9C2_mC48_9_a_9a_2a:Cs-F-U,24.0,"Invalid WP multiplicities - AB9C2_mC48_9_a_13a_3a:Cs-F-U, expected CsU3F13 to be CsU2F9" +mp-7489,CsUF6,-6.7578564225,-3.8008956491,0.0,-0.1034396983,GGA,R-3,AB6C_hR24_148_a_f_b:Cs-F-U,8.0,AB6C_hR24_148_a_f_b:Cs-F-U +mp-1215125,Cs2UH(OF2)2,-6.295044438,-2.8936210288,0.2152904419,0.2152904419,GGA,P2_1/c,A2B4CD2E_mP40_14_2e_4e_e_2e_e:Cs-F-H-O-U,40.0,A2B4CD2E_mP40_14_2e_4e_e_2e_e:Cs-F-H-O-U +mp-1202916,U3H2OF12,-7.319716135,-3.5117095549,0.0067631312,0.0067631312,GGA,Cm,A12B2CD3_mC72_8_4a10b_2b_2a_2a2b:F-H-O-U,36.0,A12B2CD3_mC72_8_4a10b_2b_2a_2a2b:F-H-O-U +mp-687247,K5YCo2(NO2)12,-6.6520723457,-1.0840366728,0.2221875884,0.2221875884,GGA+U,Pn-3,A2B5C12D24E_cP88_201_b_cd_h_2h_a:Co-K-N-O-Y,88.0,"Invalid WP multiplicities - A2B5C12D24E_cP88_201_b_3c3d_h_26h_a:Co-K-N-O-Y, expected K15YCo2(NO26)12 to be K5YCo2(NO2)12" +mp-605659,HgH24C8(I2N)2,-4.8085541721,-0.2412494378,0.1147887277,0.1147887277,GGA,P2_12_12_1,A8B24CD4E2_oP156_19_8a_24a_a_4a_2a:C-H-Hg-I-N,156.0,"Invalid WP multiplicities - A8B24CD4E2_oP156_19_29a_94a_a_13a_5a:C-H-Hg-I-N, expected HgH94C29I13N5 to be HgH24C8(I2N)2" +mp-569533,HgH10C3I3N,-4.48488237,-0.3363528551,0.0640540419,0.0640540419,GGA,P2_1/c,A3B10CD3E_mP72_14_3e_10e_e_3e_e:C-H-Hg-I-N,72.0,"Invalid WP multiplicities - A3B10CD3E_mP72_14_7e_33e_e_11e_e:C-H-Hg-I-N, expected HgH33C7I11N to be HgH10C3I3N" +mp-1199064,HgC6(IN2)2,-5.6479171229,1.4265740863,1.6045040537,1.6045040537,GGA,Pnma,A6BC2D4_oP52_62_2c2d_c_2c_2cd:C-Hg-I-N,52.0,A6BC2D4_oP52_62_2c2d_c_2c_2cd:C-Hg-I-N +mp-1197606,Hg2C3I7N9,-4.9333019376,0.4779064425,0.7961480943,0.7961480943,GGA,C2/c,A3B2C7D9_mC84_15_ef_f_e3f_e4f:C-Hg-I-N,42.0,A3B2C7D9_mC84_15_ef_f_e3f_e4f:C-Hg-I-N +mp-1212424,HgH12C2(I2N3)2,-5.109774459,-0.4943281054,0.0,-0.0107601651,GGA,P-1,A2B12CD4E6_aP50_2_2i_12i_i_4i_6i:C-H-Hg-I-N,50.0,A2B12CD4E6_aP50_2_2i_12i_i_4i_6i:C-H-Hg-I-N +mp-605752,Hg2H12C4I5N,-4.2393082384,-0.3252223253,0.0766245802,0.0766245802,GGA,Pbca,A4B12C2D5E_oP192_61_4c_12c_2c_5c_c:C-H-Hg-I-N,192.0,"Invalid WP multiplicities - A4B12C2D5E_oP192_61_30c_89c_10c_33c_c:C-H-Hg-I-N, expected Hg10H89C30I33N to be Hg2H12C4I5N" +mp-1225947,Hg2C3I5N,-3.8636440995,0.1360544352,0.4946397287,0.4946397287,GGA,Cc,A3B2C5D_mC44_9_3a_2a_5a_a:C-Hg-I-N,22.0,"Invalid WP multiplicities - A3B2C5D_mC44_9_3a_3a_7a_a:C-Hg-I-N, expected Hg3C3I7N to be Hg2C3I5N" +mp-1204359,HgC8(I2N)2,-5.4701018387,0.9765287983,1.1422430284,1.1422430284,GGA,P2_12_12_1,A8BC4D2_oP60_19_8a_a_4a_2a:C-Hg-I-N,60.0,A8BC4D2_oP60_19_8a_a_4a_2a:C-Hg-I-N +mp-1181260,HgCI3N,-3.4935587846,0.2212645208,0.5784951697,0.5784951697,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:C-Hg-I-N,24.0,ABC3D_mP24_14_e_e_3e_e:C-Hg-I-N +mp-1181612,HgCI3N,-3.7871340375,-0.0723107321,0.2849199168,0.2849199168,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:C-Hg-I-N,24.0,ABC3D_mP24_14_e_e_3e_e:C-Hg-I-N +mp-560219,K4Sb2N3O9F7,-5.8003350304,-1.9759496617,0.0488688626,0.0488688626,GGA,Pbcn,A7B4C3D9E2_oP100_60_c3d_2d_cd_c4d_d:F-K-N-O-Sb,100.0,"Invalid WP multiplicities - A7B4C3D9E2_oP100_60_3c20d_7d_4c4d_4c27d_d:F-K-N-O-Sb, expected K14Sb2N12O58F43 to be K4Sb2N3O9F7" +mp-554645,K3Sb2N2O6F7,-5.6769571635,-2.1108234529,0.0633365294,0.0633365294,GGA,C2/m,A7B3C2D6E2_mC40_12_aij_bi_i_ij_i:F-K-N-O-Sb,20.0,"Invalid WP multiplicities - A7B3C2D6E2_mC40_12_a2i2j_bi_i_2ij_i:F-K-N-O-Sb, expected K3Sb2N2O8F13 to be K3Sb2N2O6F7" +mp-1246680,KSbN2,-5.439042632,0.0390548772,0.4244507026,0.4244507026,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-Sb,64.0,AB2C_oP64_61_2c_4c_2c:K-N-Sb +mp-556904,KSbN(OF)3,-5.7970168476,-2.0025281645,0.0621985918,0.0621985918,GGA,Pbca,A3BCD3E_oP72_61_3c_c_c_3c_c:F-K-N-O-Sb,72.0,"Invalid WP multiplicities - A3BCD3E_oP72_61_14c_c_c_18c_c:F-K-N-O-Sb, expected KSbN(O9F7)2 to be KSbN(OF)3" +mp-555137,K3SbN3(O3F)3,-6.0478931505,-1.6939816684,0.0353376858,0.0353376858,GGA,Cmc2_1,A3B3C3D9E_oC76_36_ab_ab_ab_a4b_a:F-K-N-O-Sb,38.0,"Invalid WP multiplicities - A3B3C3D9E_oC76_36_ab_a2b_ab_2a12b_a:F-K-N-O-Sb, expected K5SbN3O26F3 to be K3SbN3(O3F)3" +mp-1211964,K3InC12(O2F3)6,-6.4819314389,-1.9038063861,0.1524798992,0.1524798992,GGA,P-3,A12B18CD3E12_hP46_147_2g_3g_a_bd_2g:C-F-In-K-O,46.0,A12B18CD3E12_hP46_147_2g_3g_a_bd_2g:C-F-In-K-O +mp-1223465,KBaY(BO2)6,-8.2598226276,-3.07256262,0.0158721662,0.0158721662,GGA,R3,A6BCD12E_hR63_146_2b_a_a_4b_a:B-Ba-K-O-Y,21.0,A6BCD12E_hR63_146_2b_a_a_4b_a:B-Ba-K-O-Y +mp-1223458,KBaY(BO3)2,-7.9601834345,-3.1842960882,0.0,-0.0178025967,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:B-Ba-K-O-Y,11.0,A2BCD6E_hR33_160_2a_a_a_2b_a:B-Ba-K-O-Y +mp-555495,K3Y(BO3)2,-7.2407396687,-2.8376910218,0.0,-0.0404134363,GGA,Pnnm,A2B3C6D_oP24_58_g_ag_gh_c:B-K-O-Y,24.0,"Invalid WP multiplicities - A2B3C6D_oP24_58_g_2a2g_2g2h_c:B-K-O-Y, expected K6Y(BO6)2 to be K3Y(BO3)2" +mp-642313,K3Y3(BO3)4,-8.1031282244,-3.1572899608,0.0,-0.0042098098,GGA,P2_1/c,A4B3C12D3_mP176_14_8e_6e_24e_6e:B-K-O-Y,176.0,"Invalid WP multiplicities - A4B3C12D3_mP176_14_27e_19e_92e_22e:B-K-O-Y, expected K19Y22B27O92 to be K3Y3(BO3)4" +mp-730972,UP3H10ClO8,-6.0158753476,-1.5428047246,0.0570615949,0.0570615949,GGA,Pbcm,AB10C8D3E_oP92_57_c_5e_2d3e_de_d:Cl-H-O-P-U,92.0,AB10C8D3E_oP92_57_c_5e_2d3e_de_d:Cl-H-O-P-U +mp-1196133,U2PCl11O,-5.5685217078,-2.0167407413,0.2802415304,0.2802415304,GGA,Pnma,A11BCD2_oP60_62_5c3d_c_c_2c:Cl-O-P-U,60.0,A11BCD2_oP60_62_5c3d_c_c_2c:Cl-O-P-U +mp-1195025,UPCl7O,-5.3933225753,-1.9342067905,0.3539922076,0.3539922076,GGA,P2_1/c,A7BCD_mP40_14_7e_e_e_e:Cl-O-P-U,40.0,A7BCD_mP40_14_7e_e_e_e:Cl-O-P-U +mp-540927,UPCl10,-5.0680998292,-2.1355932361,0.0,-0.4895926948,GGA,P-1,A10BC_aP24_2_10i_i_ab:Cl-P-U,24.0,A10BC_aP24_2_10i_i_ab:Cl-P-U +mp-1217036,UPClO6,-7.69365422,-2.3343896151,0.3043806389,0.3043806389,GGA,I-4,AB6CD_tI72_82_g_6g_g_g:Cl-O-P-U,36.0,"Invalid WP multiplicities - AB6CD_tI72_82_g_7g_g_g:Cl-O-P-U, expected UPClO7 to be UPClO6" +mp-1195022,UPCl5O2,-6.2130436279,-2.2307354902,0.2534430745,0.2534430745,GGA,Pbam,A5B2CD_oP72_55_gh4i_2g2h_gh_gh:Cl-O-P-U,72.0,A5B2CD_oP72_55_gh4i_2g2h_gh_gh:Cl-O-P-U +mp-541071,KZrP2HO8,-7.7637611056,-2.8829195421,0.0014976252,0.0014976252,GGA,P2/c,ABC8D2E_mP52_13_g_ef_8g_2g_g:H-K-O-P-Zr,52.0,ABC8D2E_mP52_13_g_ef_8g_2g_g:H-K-O-P-Zr +mp-766478,LiVCO3F2,-7.3376714128,-2.4771066006,0.0696210916,0.0696210916,GGA+U,Pnma,AB2CD3E_oP32_62_c_d_c_3c_c:C-F-Li-O-V,32.0,"Invalid WP multiplicities - AB2CD3E_oP32_62_c_d_c_7c_c:C-F-Li-O-V, expected LiVCO7F2 to be LiVCO3F2" +mp-1519341,KEuYWO6,-8.9613982,-2.9141847642,0.0099568646,0.0099568646,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-W-Y,10.0,ABC6DE_cF40_216_c_d_f_a_b:Eu-K-O-W-Y +mp-1203965,KEuH2S2O9,-6.8861783643,-2.1564482995,0.0,-0.0380125311,GGA,P2_1/c,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Eu-H-K-O-S,60.0,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Eu-H-K-O-S +mp-772832,K2LuPCO7,-7.4753499175,-2.8078051348,0.0201396267,0.0201396267,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-Lu-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-K-Lu-O-P, expected K2LuPCO13 to be K2LuPCO7" +mp-1211517,KLu(CO3)2,-7.953995316,-2.577114044,0.0,-0.1139345126,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-K-Lu-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-K-Lu-O +mp-758984,BPH9C2,-4.8739104887,-0.1750982065,0.0832682794,0.0832682794,GGA,P2_1/c,AB2C9D_mP52_14_e_2e_9e_e:B-C-H-P,52.0,"Invalid WP multiplicities - AB2C9D_mP52_14_e_5e_33e_e:B-C-H-P, expected BPH33C5 to be BPH9C2" +mp-1227102,Cr46(BC3)3,-9.5224873164,-0.0891019997,0.0220279059,0.0220279059,GGA,P1,A3B9C46_aP58_1_3a_9a_46a:B-C-Cr,58.0,A3B9C46_aP58_1_3a_9a_46a:B-C-Cr +mp-1226023,Cr6BC3,-9.380614655,-0.1522473482,0.0332097306,0.0332097306,GGA,Amm2,AB3C6_oC20_38_a_bc_ab2c:B-C-Cr,10.0,"Invalid WP multiplicities - AB3C6_oC20_38_a_bc_ab4c:B-C-Cr, expected Cr10BC3 to be Cr6BC3" +mp-1198848,CrB6P2(H17C3)2,-4.8425504671,-0.122536557,0.1311737888,0.1311737888,GGA,Pbca,A6B6CD34E2_oP392_61_6c_6c_c_34c_2c:B-C-Cr-H-P,392.0,A6B6CD34E2_oP392_61_6c_6c_c_34c_2c:B-C-Cr-H-P +mp-1205269,NaB6S4(I3O4)2,-5.3000791469,-1.0457438199,0.624682193,0.624682193,GGA,Pnma,A6B6CD8E4_oP200_62_4c4d_4c4d_d_8d_2c3d:B-I-Na-O-S,200.0,A6B6CD8E4_oP200_62_4c4d_4c4d_d_8d_2c3d:B-I-Na-O-S +mp-6867,KCaCO3F,-6.9510841543,-2.7944828085,0.0,-0.0078158936,GGA,P-6m2,ABCDE3_hP7_187_c_a_b_f_j:C-Ca-F-K-O,7.0,ABCDE3_hP7_187_c_a_b_f_j:C-Ca-F-K-O +mp-682592,K2Ca2C2O3F2,-6.0029018364,-2.0617788629,0.5310694597,0.5310694597,GGA,Cmc2_1,A2B2C2D2E3_oC44_36_2a_2a_b_b_3a:C-Ca-F-K-O,22.0,"Invalid WP multiplicities - A2B2C2D2E3_oC44_36_2a_3a_b_b_4a:C-Ca-F-K-O, expected K2Ca3C2(O2F)2 to be K2Ca2C2O3F2" +mp-6494,K2Ca(CO3)2,-7.1549413227,-2.3945903203,0.0,-0.0159033999,GGA,R-3m,A2BC2D6_hR33_166_c_a_c_h:C-Ca-K-O,11.0,A2BC2D6_hR33_166_c_a_c_h:C-Ca-K-O +mp-554591,K2Ca2(CO3)3,-7.3789386338,-2.4765516005,0.009970265,0.009970265,GGA,R3,A3B2C2D9_hR96_146_2b_ab_ab_6b:C-Ca-K-O,32.0,"Invalid WP multiplicities - A3B2C2D9_hR96_146_3b_ab_ab_18b:C-Ca-K-O, expected K4Ca4(CO6)9 to be K2Ca2(CO3)3" +mp-756876,K3BaPCO7,-6.7843200435,-2.5905538312000003,0.0262383721,0.0262383721,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:Ba-C-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:Ba-C-K-O-P, expected K4BaPCO13 to be K3BaPCO7" +mp-765147,Cr2H21I7(N2O)3,-4.9976439799,-0.7482608512000001,0.0520358387,0.0520358387,GGA+U,Pnma,A2B21C7D6E3_oP156_62_2c_3c9d_7c_2c2d_cd:Cr-H-I-N-O,156.0,"Invalid WP multiplicities - A2B21C7D6E3_oP156_62_5c_11c34d_22c_7c6d_2c3d:Cr-H-I-N-O, expected Cr5H79I22N19O8 to be Cr2H21I7(N2O)3" +mp-1201004,H4I3NO9,-4.8125165168,-0.6450049546000001,0.2717023988,0.2717023988,GGA,P-1,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O,34.0,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O +mp-1236902,H4I3NO9,-4.8964739138,-0.7289623517,0.1877450017,0.1877450017,GGA,P-1,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O,34.0,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O +mp-1360641,H4I3NO9,-2.9261248218,1.2413867404,2.1580940938,2.1580940938,GGA,P-1,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O,34.0,A4B3CD9_aP34_2_4i_3i_i_9i:H-I-N-O +mp-1224477,H11I(NO3)2,-5.103011276,-0.8456875279,0.273254437,0.273254437,GGA,P1,A11BC2D6_aP20_1_11a_a_2a_6a:H-I-N-O,20.0,A11BC2D6_aP20_1_11a_a_2a_6a:H-I-N-O +mp-24087,H4INO4,-5.0327210305,-0.7159690005,0.3021446547,0.3021446547,GGA,I4_1/a,A4BCD4_tI40_88_f_a_b_f:H-I-N-O,20.0,A4BCD4_tI40_88_f_a_b_f:H-I-N-O +mp-1212399,H2INO2,-4.0335942237,0.3811875742,1.2593657925,1.2593657925,GGA,I4_1/a,A2BCD2_tI48_88_f_c_d_f:H-I-N-O,24.0,A2BCD2_tI48_88_f_c_d_f:H-I-N-O +mp-1224601,H6I3NO9,-4.9501363358,-0.8641811439,0.1023600082,0.1023600082,GGA,P1,A6B3CD9_aP38_1_12a_6a_2a_18a:H-I-N-O,38.0,A6B3CD9_aP38_1_12a_6a_2a_18a:H-I-N-O +mp-554673,KZnB(PO4)2,-7.224807685,-2.6517577595,0.0,-0.0184171848,GGA,C2/c,ABC8D2E_mC104_15_f_2e_8f_2f_f:B-K-O-P-Zn,52.0,"Invalid WP multiplicities - ABC8D2E_mC104_15_f_2e_28f_5f_f:B-K-O-P-Zn, expected KZnBP5O28 to be KZnB(PO4)2" +mp-1199492,Ti2H11(N2F3)4,-5.9824748736,-1.6569997967,0.1168557853,0.1168557853,GGA,P2_1,A12B11C8D2_mP66_4_12a_11a_8a_2a:F-H-N-Ti,66.0,A12B11C8D2_mP66_4_12a_11a_8a_2a:F-H-N-Ti +mp-696940,TiH12C2(NF)6,-6.0799942793,-1.3187580238,0.0,-0.0198770771,GGA,Cm,A2B6C12D6E_mC54_8_2a_2a2b_6b_2a2b_a:C-F-H-N-Ti,27.0,A2B6C12D6E_mC54_8_2a_2a2b_6b_2a2b_a:C-F-H-N-Ti +mp-684736,TiH12N3F7,-4.9399918322000005,-1.1574682624,0.5034250189,0.5034250189,GGA,P1,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti,23.0,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti +mp-1101034,TiH12N3F7,-4.9539157343,-1.1713921646,0.4895011167,0.4895011167,GGA,P1,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti,23.0,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti +mp-1346299,TiH12N3F7,-3.6500241548,0.132499415,1.7933926963,1.7933926963,GGA,P1,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti,23.0,A7B12C3D_aP23_1_7a_12a_3a_a:F-H-N-Ti +mp-1217199,TiH20C8(NF3)2,-5.4093702859,-0.6060945964000001,0.3564732395,0.3564732395,GGA,P1,A8B6C20D2E_aP37_1_8a_6a_20a_2a_a:C-F-H-N-Ti,37.0,A8B6C20D2E_aP37_1_8a_6a_20a_2a_a:C-F-H-N-Ti +mp-23927,TiH12(NF2)4,-5.4591851096,-1.5693444697,0.0734845475,0.0734845475,GGA,Pccn,A8B12C4D_oP100_56_4e_6e_2e_c:F-H-N-Ti,100.0,A8B12C4D_oP100_56_4e_6e_2e_c:F-H-N-Ti +mp-24653,TiH8N2F5,-5.5219501995,-1.692719883,0.025603734,0.025603734,GGA,Pnma,A5B8C2D_oP64_62_c2d_4c2d_2c_a:F-H-N-Ti,64.0,"Invalid WP multiplicities - A5B8C2D_oP64_62_2c3d_6c2d_2c_a:F-H-N-Ti, expected TiH10(NF4)2 to be TiH8N2F5" +mp-696590,TiH8(NF3)2,-5.5704441388,-1.8540227252,0.0165258888,-0.0162074024,GGA,P-3m1,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Ti,17.0,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Ti +mp-865466,TiH8(NF3)2,-5.5764538841,-1.8600324705,0.0105161435,-0.0222171476,GGA,P-3m1,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Ti,17.0,"Invalid WP multiplicities - A6B8C2D_hP17_164_i_d2i_d_a:F-H-N-Ti, expected TiH14(NF3)2 to be TiH8(NF3)2" +mp-1189965,TiH8(NF3)2,-5.5869700276,-1.870548614,0.0,-0.0327332912,GGA,P-3m1,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Ti,17.0,A6B8C2D_hP17_164_i_di_d_a:F-H-N-Ti +mp-675452,Ti20H2N17,-9.600683381,-1.7438704029,0.0,-0.0170572359,GGA,C2/m,A2B17C20_mC78_12_i_a8i_10i:H-N-Ti,39.0,"Invalid WP multiplicities - A2B17C20_mC78_12_i_a13i_19i:H-N-Ti, expected Ti38H2N27 to be Ti20H2N17" +mp-1208230,TiC2(NF)6,-6.1094975427,-0.2534531189,1.3397207816,1.3397207816,GGA,Cm,A2B6C6D_mC30_8_2a_2a2b_2a2b_a:C-F-N-Ti,15.0,"Invalid WP multiplicities - A2B6C6D_mC30_12_i_ij_2i2j_a:C-F-N-Ti, expected TiC2(N2F)6 to be TiC2(NF)6" +mp-743715,TiH10N3F5,-5.1851843703,-1.1646774187,0.3773676287,0.3773676287,GGA,Cc,A5B10C3D_mC76_9_5a_10a_3a_a:F-H-N-Ti,38.0,"Invalid WP multiplicities - A5B10C3D_mC76_9_10a_20a_6a_a:F-H-N-Ti, expected TiH20(N3F5)2 to be TiH10N3F5" +mp-642821,K3H5Pt,-3.3729826572,-0.4434315032,0.0,-0.0683154883,GGA,P4/mbm,A5B3C_tP18_127_ak_bg_c:H-K-Pt,18.0,A5B3C_tP18_127_ak_bg_c:H-K-Pt +mp-643279,K2H6Pt,-3.5766109056,-0.3934678518,0.0,-0.0801174344,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:H-K-Pt,9.0,A6B2C_cF36_225_e_c_a:H-K-Pt +mp-972184,VPtO3,-6.95606388,-0.9570427753,0.8212599775,0.8212599775,GGA+U,Pm-3m,A3BC_cP5_221_c_a_b:O-Pt-V,5.0,A3BC_cP5_221_c_a_b:O-Pt-V +mp-974713,K2H4Pt,-3.5261413071,-0.402879108,0.0086558107,0.0086558107,GGA,P4_2/mnm,A4B2C_tP14_136_ef_d_a:H-K-Pt,14.0,"Invalid WP multiplicities - A4B2C_tP14_136_2e2f_d_a:H-K-Pt, expected K2H8Pt to be K2H4Pt" +mp-1223664,K2H4Pt,-3.5260028643,-0.4027406651,0.0087942536,0.0087942536,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:H-K-Pt,7.0,A4B2C_tI14_139_h_d_a:H-K-Pt +mp-1194921,K5V9H20PtO37,-6.6231611018,-1.8417682421,0.0310376996,0.0310376996,GGA+U,P-1,A20B5C37DE9_aP144_2_20i_5i_37i_i_9i:H-K-O-Pt-V,144.0,A20B5C37DE9_aP144_2_20i_5i_37i_i_9i:H-K-O-Pt-V +mp-1198885,Sb2PH3(CF5)4,-5.267205826,-1.9674150112,0.2317262762,0.2317262762,GGA,Pbca,A4B20C3DE2_oP240_61_4c_20c_3c_c_2c:C-F-H-P-Sb,240.0,A4B20C3DE2_oP240_61_4c_20c_3c_c_2c:C-F-H-P-Sb +mp-1198502,SbPH2F10,-4.9248071857,-2.393196792,0.1200586679,0.1200586679,GGA,P2_1/c,A10B2CD_mP56_14_10e_2e_e_e:F-H-P-Sb,56.0,A10B2CD_mP56_14_10e_2e_e_e:F-H-P-Sb +mp-1237318,SbPH2F10,-4.8748050575,-2.3431946638,0.1700607961,0.1700607961,GGA,P2_1/c,A10B2CD_mP56_14_10e_2e_e_e:F-H-P-Sb,56.0,A10B2CD_mP56_14_10e_2e_e_e:F-H-P-Sb +mp-556383,PCF3,-5.5816849013,-1.506403921,0.5974965477,0.5974965477,GGA,P2_1/c,AB3C_mP100_14_5e_15e_5e:C-F-P,100.0,"Invalid WP multiplicities - AB3C_mP100_14_16e_57e_19e:C-F-P, expected P19C16F57 to be PCF3" +mp-540785,PCF3,-5.0186292487,-0.9433482684,1.1605522003,1.1605522003,GGA,P4_2/nmc,AB3C_tP40_137_g_gh_g:C-F-P,40.0,AB3C_tP40_137_g_gh_g:C-F-P +mp-1210382,PC18F17,-6.7092019442,-1.0418568381,0.3546881732,0.3546881732,GGA,Pbcn,A18B17C_oP144_60_2c8d_c8d_c:C-F-P,144.0,A18B17C_oP144_60_2c8d_c8d_c:C-F-P +mp-772799,K2SnPCO7,-6.8597901154,-2.2348602215,0.0764472084,0.0764472084,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Sn,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Sn, expected K2SnPCO13 to be K2SnPCO7" +mp-1199102,K2SnC4O9,-7.0103028663,-1.5312259837000002,0.3221078184,0.3221078184,GGA,P-1,A4B2C9D_aP32_2_4i_2i_9i_i:C-K-O-Sn,32.0,A4B2C9D_aP32_2_4i_2i_9i_i:C-K-O-Sn +mp-772809,KSnPCO7,-7.2205172568,-2.2760845496,0.0298990581,0.0298990581,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Sn,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Sn, expected KSnPCO13 to be KSnPCO7" +mp-754251,K3SnPCO7,-6.6179152573,-2.2633338978,0.0218505611,0.0218505611,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-Sn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-K-O-P-Sn, expected K4SnPCO13 to be K3SnPCO7" +mp-1196323,K3SnC7O16,-7.0651105286,-1.4692421389,0.405269772,0.405269772,GGA,P2_1/c,A7B3C16D_mP108_14_7e_3e_16e_e:C-K-O-Sn,108.0,A7B3C16D_mP108_14_7e_3e_16e_e:C-K-O-Sn +mp-1212704,K7Bi2P6(W2O17)2,-7.493024576,-2.4372977264,0.0105852113,0.0105852113,GGA+U,P-1,A2B7C34D6E4_aP106_2_2i_ae6i_34i_6i_4i:Bi-K-O-P-W,106.0,A2B7C34D6E4_aP106_2_2i_ae6i_34i_6i_4i:Bi-K-O-P-W +mp-561230,K2BiPWO8,-7.286454263099999,-2.3628981515,0.0013396778,0.0013396778,GGA+U,Ibca,AB2C8DE_oI104_73_c_f_4f_c_d:Bi-K-O-P-W,52.0,"Invalid WP multiplicities - AB2C8DE_oI104_73_c_f_24f_c_d:Bi-K-O-P-W, expected K2BiPWO48 to be K2BiPWO8" +mp-557319,InH8C4NO10,-6.5415498086,-1.3494024712,0.0279580602,0.0279580602,GGA,P6_222,A4B8CDE10_hP72_180_2i_2k_d_b_g2k:C-H-In-N-O,72.0,"Invalid WP multiplicities - A4B8CDE10_hP72_180_7i_15k_d_b_5g16k:C-H-In-N-O, expected InH60C14NO74 to be InH8C4NO10" +mp-1195963,KZnP(CO3)2,-6.9603335323,-1.8766145944,0.2085191488,0.2085191488,GGA,Pna2_1,A2BC6DE_oP44_33_2a_a_6a_a_a:C-K-O-P-Zn,44.0,A2BC6DE_oP44_33_2a_a_6a_a_a:C-K-O-P-Zn +mp-772848,K3ZnPCO7,-6.4457438135,-2.3026877035,0.0305219905,0.0305219905,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-Zn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-K-O-P-Zn, expected K4ZnPCO13 to be K3ZnPCO7" +mp-1519436,KPrVWO6,-8.343189796,-2.5818424691,0.1298089606,0.1298089606,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-V-W,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Pr-V-W +mp-600238,NbH12C4NO13,-6.2280032223,-1.0547087796,0.4384378877,0.4384378877,GGA,P2_1/m,A4B12CDE13_mP62_11_2f_2e5f_e_e_3e5f:C-H-N-Nb-O,62.0,"Invalid WP multiplicities - A4B12CDE13_mP62_11_3f_4e18f_e_e_5e18f:C-H-N-Nb-O, expected NbH40C6NO41 to be NbH12C4NO13" +mp-1198193,Nb5H50C12(NO7)3,-6.0654230127,-1.0129311328,0.0719057396,0.0719057396,GGA,P-1,A12B50C3D5E21_aP182_2_12i_50i_3i_5i_21i:C-H-N-Nb-O,182.0,A12B50C3D5E21_aP182_2_12i_50i_3i_5i_21i:C-H-N-Nb-O +mp-758842,NbH14C4NO14,-6.4888320526,-1.4269418019,0.0475790437,0.0475790437,GGA,P2_1/c,A4B14CDE14_mP136_14_4e_14e_e_e_14e:C-H-N-Nb-O,136.0,"Invalid WP multiplicities - A4B14CDE14_mP136_14_13e_55e_e_e_55e:C-H-N-Nb-O, expected NbH55C13NO55 to be NbH14C4NO14" +mp-1191071,NbH12N3O8,-5.6402464504,-0.8320376152000001,0.5157252555,0.5157252555,GGA,I-42m,A12B3CD8_tI48_121_ij_ad_b_2i:H-N-Nb-O,24.0,A12B3CD8_tI48_121_ij_ad_b_2i:H-N-Nb-O +mp-1213507,NaPH12(W3O10)4,-7.3721684633,-1.2992343489,0.6481635761,0.6481635761,GGA+U,P-1,A12BC40DE12_aP132_2_12i_i_40i_i_12i:H-Na-O-P-W,132.0,A12BC40DE12_aP132_2_12i_i_40i_i_12i:H-Na-O-P-W +mp-1204321,K2CaV4H14O19,-6.4159824627,-1.8648006578,0.02192736,0.02192736,GGA+U,P2_1/c,AB14C2D19E4_mP160_14_e_14e_2e_19e_4e:Ca-H-K-O-V,160.0,AB14C2D19E4_mP160_14_e_14e_2e_19e_4e:Ca-H-K-O-V +mp-1203567,KV2SeO7,-7.3455155439,-2.127247949,0.0,-0.0179256197,GGA+U,Pnma,AB7CD2_oP44_62_c_3c2d_c_2c:K-O-Se-V,44.0,AB7CD2_oP44_62_c_3c2d_c_2c:K-O-Se-V +mp-541520,KV3(SeO6)2,-7.2395493064,-1.9776490482,0.0,-0.0086586408,GGA+U,P6_3,AB12C2D3_hP36_173_b_4c_ab_c:K-O-Se-V,36.0,AB12C2D3_hP36_173_b_4c_ab_c:K-O-Se-V +mp-1196510,KVH2SeO7,-6.2725587771,-1.6806846468,0.0270176522,0.0270176522,GGA+U,P2_1/c,A2BC7DE_mP48_14_2e_e_7e_e_e:H-K-O-Se-V,48.0,A2BC7DE_mP48_14_2e_e_7e_e_e:H-K-O-Se-V +mp-644015,KVHSe2O7,-6.3334189137,-1.7329459974,0.0,-0.0235577855,GGA+U,P2_1/m,ABC7D2E_mP24_11_a_e_e3f_f_e:H-K-O-Se-V,24.0,ABC7D2E_mP24_11_a_e_e3f_f_e:H-K-O-Se-V +mp-1201848,KVH6SeO9,-5.9087967164,-1.5439760961,0.0218434434,0.0218434434,GGA+U,P2_1,A6BC9DE_mP36_4_6a_a_9a_a_a:H-K-O-Se-V,36.0,A6BC9DE_mP36_4_6a_a_9a_a_a:H-K-O-Se-V +mp-1207876,ZnH6(NO3)2,-4.5996235475,-0.068342081,1.0888941968,1.0888941968,GGA,Pnma,A6B2C6D_oP60_62_4cd_d_3d_c:H-N-O-Zn,60.0,A6B2C6D_oP60_62_4cd_d_3d_c:H-N-O-Zn +mp-23929,ZnH8(NO5)2,-5.6704566636,-1.1684838573,0.0003244572,0.0003244572,GGA,P2_1/c,A8B2C10D_mP84_14_8e_2e_10e_e:H-N-O-Zn,84.0,A8B2C10D_mP84_14_8e_2e_10e_e:H-N-O-Zn +mp-696291,ZnH4(NO4)2,-5.8571536087,-1.11867712,0.0048329121,0.0048329121,GGA,P2_1/c,A4B2C8D_mP30_14_2e_e_4e_a:H-N-O-Zn,30.0,A4B2C8D_mP30_14_2e_e_4e_a:H-N-O-Zn +mp-1207751,ZnH12(NO3)2,-4.3733779245,-0.167398007,0.9737000613,0.9737000613,GGA,P2_1/c,A12B2C6D_mP84_14_12e_2e_6e_e:H-N-O-Zn,84.0,A12B2C6D_mP84_14_12e_2e_6e_e:H-N-O-Zn +mp-1428720,V2ZnN2,-7.025840748,0.194268372,1.267885214,1.267885214,GGA,P-4m2,A2B2C_tP5_115_g_e_b:N-V-Zn,5.0,A2B2C_tP5_115_g_e_b:N-V-Zn +mp-743935,Zn2H10N12O5,-5.7748355886,-0.2155897153,0.5085345541,0.5085345541,GGA,P2/c,A10B12C5D2_mP58_13_5g_6g_e2g_g:H-N-O-Zn,58.0,A10B12C5D2_mP58_13_5g_6g_e2g_g:H-N-O-Zn +mp-1194632,Zn2H10N12O5,-6.0801581298,-0.5209122565000001,0.2032120129,0.2032120129,GGA,P2/c,A10B12C5D2_mP58_13_5g_6g_e2g_g:H-N-O-Zn,58.0,A10B12C5D2_mP58_13_5g_6g_e2g_g:H-N-O-Zn +mp-1029262,VZn2N3,-6.6812739942,-0.57912765,0.0,-0.1140409881,GGA,Cmc2_1,A3BC2_oC24_36_ab_a_b:N-V-Zn,12.0,A3BC2_oC24_36_ab_a_b:N-V-Zn +mp-1205200,ZnH8(NO2)6,-5.9513289043,-0.8483368281,0.140053669,0.140053669,GGA,P-1,A8B6C12D_aP108_2_16i_12i_24i_2i:H-N-O-Zn,108.0,A8B6C12D_aP108_2_16i_12i_24i_2i:H-N-O-Zn +mp-1200803,ZnH2N2O7,-6.0292912457,-1.083874035,0.0,-0.0097056373,GGA,Pbca,A2B2C7D_oP96_61_2c_2c_7c_c:H-N-O-Zn,96.0,A2B2C7D_oP96_61_2c_2c_7c_c:H-N-O-Zn +mp-1202528,V2ZnH18(N3O5)2,-5.6145640616,-0.7501726772,0.4275774623,0.4275774623,GGA+U,P2_1/c,A18B6C10D2E_mP148_14_18e_6e_10e_2e_e:H-N-O-V-Zn,148.0,A18B6C10D2E_mP148_14_18e_6e_10e_2e_e:H-N-O-V-Zn +mp-1246720,VZnN2,-7.4071410781,-0.6529811956,0.116869805,0.116869805,GGA,Pna2_1,A2BC_oP16_33_2a_a_a:N-V-Zn,16.0,A2BC_oP16_33_2a_a_a:N-V-Zn +mp-1207500,Zn5H2(NO7)2,-4.8651372761000005,-0.5603198001,0.6283223953,0.6283223953,GGA,C2/m,A2B2C14D5_mC46_12_i_i_5ij_ahi:H-N-O-Zn,23.0,A2B2C14D5_mC46_12_i_i_5ij_ahi:H-N-O-Zn +mp-1193882,ZnHNO4,-5.7326305532,-1.0503849211,0.1345835746,0.1345835746,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:H-N-O-Zn,28.0,ABC4D_oP28_33_a_a_4a_a:H-N-O-Zn +mp-1191068,V3Zn2N,-6.9601356054,-0.6088522129,0.0,-0.038873503,GGA,P4_132,AB3C2_cP24_213_a_d_c:N-V-Zn,24.0,AB3C2_cP24_213_a_d_c:N-V-Zn +mp-1246275,V(ZnN)4,-5.5245596983,-0.2502418972,0.1447163583,0.1447163583,GGA,P-1,A4BC4_aP18_2_4i_i_4i:N-V-Zn,18.0,A4BC4_aP18_2_4i_i_4i:N-V-Zn +mp-1393899,V(ZnN)2,-5.815757143,-0.160480515,0.4554002855,0.4554002855,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:N-V-Zn,10.0,A2BC2_mC20_12_2i_i_2i:N-V-Zn +mp-1211756,KAlCO5,-6.8560208912,-2.003760413,0.236181037,0.236181037,GGA,Cmcm,ABCD5_oC32_63_a_c_c_cfg:Al-C-K-O,16.0,ABCD5_oC32_63_a_c_c_cfg:Al-C-K-O +mp-644285,KAlH2CO5,-6.7605645505,-2.2002109589,0.0,-0.009630562,GGA,Cmcm,ABC2DE5_oC40_63_a_c_g_c_cfg:Al-C-H-K-O,20.0,ABC2DE5_oC40_63_a_c_g_c_cfg:Al-C-H-K-O +mp-1200100,KAlCO6,-6.4323700558,-1.5696175517,0.421441515,0.421441515,GGA,Pna2_1,ABCD6_oP36_33_a_a_a_6a:Al-C-K-O,36.0,ABCD6_oP36_33_a_a_a_6a:Al-C-K-O +mp-1207949,VP2(NO4)2,-7.3427244146,-1.4844928282,0.6164441844,0.6164441844,GGA+U,P4bm,A2B8C2D_tP26_100_c_abcd_c_a:N-O-P-V,26.0,A2B8C2D_tP26_100_c_abcd_c_a:N-O-P-V +mp-1194072,ZnPNO4,-6.0372311118,-1.0663316994,0.9197257006,0.9197257006,GGA,P2_1,AB4CD_mP28_4_2a_8a_2a_2a:N-O-P-Zn,28.0,AB4CD_mP28_4_2a_8a_2a_2a:N-O-P-Zn +mp-1198261,ZnPNO4,-6.0374368743,-1.0665374619,0.9195199381,0.9195199381,GGA,P6_3,AB4CD_hP56_173_ac_b5c_bc_bc:N-O-P-Zn,56.0,AB4CD_hP56_173_ac_b5c_bc_bc:N-O-P-Zn +mp-557537,Zn4P6N12O,-6.948445963,-0.7526452113000001,0.0,-0.0840479947,GGA,I-43m,A12BC6D4_cI46_217_g_a_d_c:N-O-P-Zn,23.0,A12BC6D4_cI46_217_g_a_d_c:N-O-P-Zn +mp-1079048,V3PN,-9.220331826,-1.0200286977,0.0037599342,0.0037599342,GGA,Cmcm,ABC3_oC20_63_a_c_cf:N-P-V,10.0,ABC3_oC20_63_a_c_cf:N-P-V +mp-818266,VP2NO8,-7.3034867998,-1.6517771583,0.6242379388,0.6242379388,GGA+U,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:N-O-P-V,48.0,AB8C2D_mP48_14_e_8e_2e_e:N-O-P-V +mp-735194,VZn2P4N3O16,-6.6255420044,-1.3404224863,0.7794615431,0.7794615431,GGA+U,C2/c,A3B16C4DE2_mC104_15_ef_8f_2f_a_f:N-O-P-V-Zn,52.0,A3B16C4DE2_mC104_15_ef_8f_2f_a_f:N-O-P-V-Zn +mp-8045,V5P3N,-8.6628614272,-0.8855355611,0.0667825822,0.0667825822,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:N-P-V,18.0,AB3C5_hP18_193_b_g_dg:N-P-V +mp-1200963,VPNO5,-7.4333374214,-1.4874440392,0.7009046764,0.7009046764,GGA+U,Pnn2,AB5CD_oP64_34_2c_10c_abc_2c:N-O-P-V,64.0,AB5CD_oP64_34_2c_10c_abc_2c:N-O-P-V +mp-834376,V2P2NO11,-7.389147488,-1.6551169941,0.5976500066,0.5976500066,GGA+U,P2_1/c,AB11C2D2_mP64_14_e_11e_2e_2e:N-O-P-V,64.0,AB11C2D2_mP64_14_e_11e_2e_2e:N-O-P-V +mp-1189889,VPNO6,-7.4503346422,-1.6154640012,0.4442562528,0.4442562528,GGA+U,P2_1,AB6CD_mP18_4_a_6a_a_a:N-O-P-V,18.0,AB6CD_mP18_4_a_6a_a_a:N-O-P-V +mp-1196520,VPNO6,-7.5224485101,-1.6875778691,0.3721423849,0.3721423849,GGA+U,Pbca,AB6CD_oP72_61_c_6c_c_c:N-O-P-V,72.0,AB6CD_oP72_61_c_6c_c_c:N-O-P-V +mp-1198608,V2ZnP3NO15,-7.0490573672,-1.6761351461,0.5941682089,0.5941682089,GGA+U,P2_1/c,AB15C3D2E_mP88_14_e_15e_3e_2e_e:N-O-P-V-Zn,88.0,AB15C3D2E_mP88_14_e_15e_3e_2e_e:N-O-P-V-Zn +mp-1207866,VPN2O5,-6.8741865394,-0.6626707636,1.2825280947,1.2825280947,GGA+U,P2_1,A2B5CD_mP18_4_2a_5a_a_a:N-O-P-V,18.0,A2B5CD_mP18_4_2a_5a_a_a:N-O-P-V +mp-1207409,ZnP3NO9,-6.8220182275,-1.7965650521,0.4578945166,0.4578945166,GGA,P-6c2,AB9C3D_hP28_188_a_kl_k_c:N-O-P-Zn,28.0,AB9C3D_hP28_188_a_kl_k_c:N-O-P-Zn +mp-1006617,ZnP2NO9,-6.2967502112,-1.3011315996,0.5961516099,0.5961516099,GGA,P-1,AB9C2D_aP26_2_i_9i_2i_i:N-O-P-Zn,26.0,AB9C2D_aP26_2_i_9i_2i_i:N-O-P-Zn +mp-557702,K2RuI5NO,-4.2285412013,-1.0140196192,0.0,-0.0786910248,GGA,Pnma,A5B2CDE_oP40_62_3cd_d_c_c_c:I-K-N-O-Ru,40.0,"Invalid WP multiplicities - A5B2CDE_oP40_62_12c6d_d_c_c_c:I-K-N-O-Ru, expected K2RuI24NO to be K2RuI5NO" +mp-1179668,Ru(IN3)2,-5.4048765122,1.5106906867,1.7389103917000002,1.7389103917000002,GGA,P1,A2B6C_aP9_1_2a_6a_a:I-N-Ru,9.0,"Invalid WP multiplicities - A2B6C_mC18_8_b_4a2b_a:I-N-Ru, expected Ru(IN4)2 to be Ru(IN3)2" +mp-1079486,Ru(IN3)2,-4.7053068844,2.2102603144,2.4384800194,2.4384800194,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:I-N-Ru,9.0,A2B6C_cF36_225_c_e_a:I-N-Ru +mp-726002,K2I3NO12,-5.1269088057,-0.9970390055,0.0927714388,0.0927714388,GGA,P2_12_12_1,A3B2CD12_oP72_19_3a_2a_a_12a:I-K-N-O,72.0,A3B2CD12_oP72_19_3a_2a_a_12a:I-K-N-O +mp-1191770,UNi(OF2)3,-6.1269085286,-2.183227926,0.4584747113,0.4584747113,GGA+U,C2/c,A6BC3D_mC44_15_3f_c_ef_e:F-Ni-O-U,22.0,A6BC3D_mC44_15_3f_a_ef_e:F-Ni-O-U +mp-1205292,U4Ni3(O13F7)2,-5.9471561701,-1.3113974016,0.6971805544,0.6971805544,GGA+U,P2_1/c,A14B3C26D4_mP94_14_7e_ae_13e_2e:F-Ni-O-U,94.0,A14B3C26D4_mP94_14_7e_ae_13e_2e:F-Ni-O-U +mp-1217729,U2Ni2O11F12,-5.7697324044,-1.6403095595,0.5121888857,0.5121888857,GGA+U,C2/c,A12B2C11D2_mC108_15_2e5f_f_e5f_f:F-Ni-O-U,54.0,"Invalid WP multiplicities - A12B2C11D2_mC108_15_2e8f_f_e8f_f:F-Ni-O-U, expected U2Ni2O17F18 to be U2Ni2O11F12" +mp-604490,UNiH14O9F4,-5.8307796774,-1.8054063812,0.0,-0.0032188678,GGA+U,P2_1/c,A4B14CD9E_mP116_14_4e_14e_e_9e_e:F-H-Ni-O-U,116.0,"Invalid WP multiplicities - A4B14CD9E_mP116_14_13e_55e_e_33e_e:F-H-Ni-O-U, expected UNiH55O33F13 to be UNiH14O9F4" +mp-1199636,U3Ni2O9F16,-5.950314826,-1.932369317,0.7415685875,0.7415685875,GGA+U,Cmcm,A16B2C9D3_oC120_63_2c2fg2h_f_c2fh_cg:F-Ni-O-U,60.0,"Invalid WP multiplicities - A16B2C9D3_oC120_63_3c8f2g8h_f_c5f4h_2c2g:F-Ni-O-U, expected U6Ni2O27F55 to be U3Ni2O9F16" +mp-1229133,CsPHO3F,-6.27212582,-2.493129245,0.0,-0.0041355959,GGA,P-1,ABCD3E_aP14_2_i_i_i_3i_i:Cs-F-H-O-P,14.0,"Invalid WP multiplicities - ABCD3E_aP14_2_i_i_i_5i_i:Cs-F-H-O-P, expected CsPHO5F to be CsPHO3F" +mp-574928,CsPH3O3F,-5.6367034753,-1.9435447958,0.0102739281,0.0102739281,GGA,P2_1/c,ABC3D3E_mP36_14_e_e_3e_3e_e:Cs-F-H-O-P,36.0,"Invalid WP multiplicities - ABC3D3E_mP36_14_e_e_10e_9e_e:Cs-F-H-O-P, expected CsPH10O9F to be CsPH3O3F" +mp-542541,CsPH3O4F,-5.9641791431,-2.1456674605,0.0,-0.0046724559,GGA,Pbca,ABC3D4E_oP80_61_c_c_3c_4c_c:Cs-F-H-O-P,80.0,"Invalid WP multiplicities - ABC3D4E_oP80_61_c_c_18c_26c_c:Cs-F-H-O-P, expected CsPH18O26F to be CsPH3O4F" +mp-698060,PHOF2,-5.7047235312,-2.1895884917,0.0,-0.012908667,GGA,Pbca,A2BCD_oP40_61_2c_c_c_c:F-H-O-P,40.0,A2BCD_oP40_61_2c_c_c_c:F-H-O-P +mp-696651,K3NbHOF7,-5.7502535292,-3.0462328054,0.0,-0.0215016036,GGA,C2/c,A7BC3DE_mC52_15_e3f_a_ef_e_e:F-H-K-Nb-O,26.0,A7BC3DE_mC52_15_e3f_a_ef_e_e:F-H-K-Nb-O +mp-1195407,KBOF2,-6.4050774873,-3.0931900145,0.0,-0.0213659712,GGA,P2_1/c,AB2CD_mP60_14_3e_6e_3e_3e:B-F-K-O,60.0,AB2CD_mP60_14_3e_6e_3e_3e:B-F-K-O +mp-1019808,KBe2B3O7,-7.7650582262,-2.8993489209,0.0049294766,0.0049294766,GGA,P2_1,A3B2CD7_mP78_4_9a_6a_3a_21a:B-Be-K-O,78.0,A3B2CD7_mP78_4_9a_6a_3a_21a:B-Be-K-O +mp-1193116,KBe2B3O7,-7.7692054892,-2.903496184,0.0007822135,0.0007822135,GGA,C2/c,A3B2CD7_mC52_15_ef_f_e_e3f:B-Be-K-O,26.0,A3B2CD7_mC52_15_ef_f_e_e3f:B-Be-K-O +mp-1019809,KBe2B3O7,-7.7597115425,-2.8940022372,0.0102761602,0.0102761602,GGA,Pmn2_1,A3B2CD7_oP52_31_2a2b_2b_2a_4a5b:B-Be-K-O,52.0,A3B2CD7_oP52_31_2a2b_2b_2a_4a5b:B-Be-K-O +mp-6870,KBe2BO3F2,-6.9448742278,-3.1746919482,0.0,-0.0359871192,GGA,R32,AB2C2DE3_hR27_155_a_c_c_b_d:B-Be-F-K-O,9.0,AB2C2DE3_hR27_155_a_c_c_b_d:B-Be-F-K-O +mp-1105618,KBe2BO3F2,-6.944870365,-3.1746880854,3.8628000000000005e-06,-0.0359832564,GGA,R-3c,AB2C2DE3_hR54_167_a_c_c_b_e:B-Be-F-K-O,18.0,AB2C2DE3_hR54_167_a_c_c_b_e:B-Be-F-K-O +mp-1072191,SnCI3N,-4.0915123283,0.2409595587,0.7656342559,0.7656342559,GGA,P4mm,AB3CD_tP6_99_a_bc_a_b:C-I-N-Sn,6.0,AB3CD_tP6_99_a_bc_a_b:C-I-N-Sn +mp-1194439,SnCI3N2,-4.7407695414,0.1637056368,0.6399416637,0.6399416637,GGA,Imm2,AB3C2D_oI56_44_2a2b_2c2de_2c2d_e:C-I-N-Sn,28.0,AB3C2D_oI56_44_2a2b_2c2de_2c2d_e:C-I-N-Sn +mp-1102654,SnH5CI3N2,-4.7873899558,-0.5128102498,0.0406846893,0.0406846893,GGA,Amm2,AB5C3D2E_oC24_38_a_a2c_ae_c_b:C-H-I-N-Sn,12.0,AB5C3D2E_oC24_38_a_a2c_ae_c_b:C-H-I-N-Sn +mp-698357,SnH8(CI)4,-4.3695933471,-0.0190340774,0.3417385922,0.3417385922,GGA,P-42_1c,A4B8C4D_tP34_114_e_2e_e_a:C-H-I-Sn,34.0,A4B8C4D_tP34_114_e_2e_e_a:C-H-I-Sn +mp-1179625,SnC3(I4N3)2,-4.8357302599,0.3587957781,0.6723137632,0.6723137632,GGA,P2_1/c,A3B8C6D_mP72_14_3e_8e_6e_e:C-I-N-Sn,72.0,A3B8C6D_mP72_14_3e_8e_6e_e:C-I-N-Sn +mp-1199776,Sn3H28C9IN,-4.8947191565,-0.135364501,0.1296306193,0.1296306193,GGA,P2_13,A9B28CDE3_cP336_198_6b_2a18b_2a_2a_2b:C-H-I-N-Sn,336.0,A9B28CDE3_cP336_198_6b_2a18b_2a_2a_2b:C-H-I-N-Sn +mp-995238,SnH6CI3N,-4.3668567615,-0.5042577954,0.0349019781,0.0349019781,GGA,P1,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Sn,48.0,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Sn +mp-1094059,SnH6CI3N,-4.3700153644,-0.5074163983000001,0.0317433752,0.0317433752,GGA,Pnma,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Sn,48.0,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Sn +mp-1203750,SnH20C7IN,-5.0228604686,-0.1470400527,0.1391601492,0.1391601492,GGA,P2_1/c,A7B20CDE_mP120_14_7e_20e_e_e_e:C-H-I-N-Sn,120.0,A7B20CDE_mP120_14_7e_20e_e_e_e:C-H-I-N-Sn +mp-1200236,SnH8C2I3N,-4.5750531548,-0.4173661432,0.0563581589,0.0563581589,GGA,Pna2_1,A2B8C3DE_oP60_33_2a_8a_3a_a_a:C-H-I-N-Sn,60.0,A2B8C3DE_oP60_33_2a_8a_3a_a_a:C-H-I-N-Sn +mp-1220504,Rb2U3P4H4O19,-7.8354642941,-2.6777612348,0.0841800053,0.0841800053,GGA,Cc,A4B19C4D2E3_mC128_9_4a_19a_4a_2a_3a:H-O-P-Rb-U,64.0,"Invalid WP multiplicities - A4B19C4D2E3_mC128_9_6a_28a_6a_3a_4a:H-O-P-Rb-U, expected Rb3U4P6(H3O14)2 to be Rb2U3P4H4O19" +mp-707517,RbUP2H8O11,-6.472669062,-1.9224980498,0.1722639651,0.1722639651,GGA,P2_1/c,A8B11C2DE_mP92_14_8e_11e_2e_e_e:H-O-P-Rb-U,92.0,A8B11C2DE_mP92_14_8e_11e_2e_e_e:H-O-P-Rb-U +mp-1204278,Rb2U3P6O25,-8.3402566182,-3.0074140905,0.0,-0.0986259759,GGA,P2_1/c,A25B6C2D3_mP144_14_25e_6e_2e_3e:O-P-Rb-U,144.0,A25B6C2D3_mP144_14_25e_6e_2e_3e:O-P-Rb-U +mp-867996,Rb2U5(PO7)4,-8.5673637136,-2.9627839152,0.0658381185,0.0658381185,GGA,Cm,A28B4C2D5_mC78_8_4a12b_2b_2a_a2b:O-P-Rb-U,39.0,A28B4C2D5_mC78_8_4a12b_2b_2a_a2b:O-P-Rb-U +mp-560246,LiUP(H4O5)2,-6.6130239126,-2.0786272052,0.0,-0.0016693704,GGA,P4/n,A8BC10DE_tP42_85_2g_a_2c2g_b_c:H-Li-O-P-U,42.0,"Invalid WP multiplicities - A8BC10DE_tP42_85_10g_a_3c11g_b_c:H-Li-O-P-U, expected LiUPH40O47 to be LiUP(H4O5)2" +mp-555232,LiU4P3O20,-9.0251681935,-3.2305880274,0.0,-0.0338039597,GGA,P2_1/c,AB20C3D4_mP112_14_e_20e_3e_4e:Li-O-P-U,112.0,"Invalid WP multiplicities - AB20C3D4_mP112_14_e_77e_8e_14e:Li-O-P-U, expected LiU14P8O77 to be LiU4P3O20" +mp-558910,Li2U3(PO5)4,-8.5433051197,-3.0854064984,0.0,-0.0160453157,GGA,P-1,A2B20C4D3_aP29_2_i_10i_2i_ai:Li-O-P-U,29.0,"Invalid WP multiplicities - A2B20C4D3_aP29_2_i_19i_3i_ai:Li-O-P-U, expected Li2U3(P3O19)2 to be Li2U3(PO5)4" +mp-557826,Li3U7(PO7)5,-8.9237194321,-3.2243743102,0.0041609807,0.0041609807,GGA,P-42_1m,A3B35C5D7_tP100_113_ce_a2c8e4f_cde_cd2e:Li-O-P-U,100.0,"Invalid WP multiplicities - A3B35C5D7_tP100_113_2ce_2a4c32e29f_2c3d2e_2cd6e:Li-O-P-U, expected Li2U8(P2O31)3 to be Li3U7(PO7)5" +mp-559539,Li2U3P2O15,-8.8040596009,-3.225922717,0.0,-0.0099555164,GGA,I4_1/amd,A2B15C2D3_tI88_141_e_ae3h_e_be:Li-O-P-U,44.0,"Invalid WP multiplicities - A2B15C2D3_tI88_141_e_2a4e19h_e_2b2e:Li-O-P-U, expected LiU3PO43 to be Li2U3P2O15" +mp-561098,LiUPO6,-8.4936821989,-3.1277080155,0.0025394819,0.0025394819,GGA,P-1,AB6CD_aP36_2_2i_12i_2i_2i:Li-O-P-U,36.0,"Invalid WP multiplicities - AB6CD_aP36_2_3i_24i_2i_2i:Li-O-P-U, expected Li3U2(PO12)2 to be LiUPO6" +mp-1105030,NbNOF4,-6.0766962593,-1.6437813241,1.0453197955,1.0453197955,GGA,P4/nmm,A4BCD_tP14_129_i_a_c_c:F-N-Nb-O,14.0,A4BCD_tP14_129_i_a_c_c:F-N-Nb-O +mp-850868,NbH8N2O2F5,-5.7752031183,-1.69926559,0.0593944577,0.0593944577,GGA,Pnma,A5B8C2DE2_oP72_62_c2d_2c3d_d_c_2c:F-H-N-Nb-O,72.0,"Invalid WP multiplicities - A5B8C2DE2_oP72_62_4c5d_6c11d_d_c_5c:F-H-N-Nb-O, expected NbH28N2O5F14 to be NbH8N2O2F5" +mp-1203928,NbH8N2OF5,-5.7672664951,-1.7425496246,0.0,-0.0204941766,GGA,Cc,A5B8C2DE_mC136_9_10a_16a_4a_2a_2a:F-H-N-Nb-O,68.0,A5B8C2DE_mC136_9_10a_16a_4a_2a_2a:F-H-N-Nb-O +mp-1210548,Nb(NF4)3,-4.4749605975,-0.8469270084,0.4120866517,0.4120866517,GGA,C2/m,A12B3C_mC32_12_3j_ce_a:F-N-Nb,16.0,"Invalid WP multiplicities - A12B3C_mC32_12_10j_ae_d:F-N-Nb, expected NbN3F40 to be Nb(NF4)3" +mp-1191313,NbH2N2OF5,-5.8588297591,-1.4893906201,0.6968692717,0.6968692717,GGA,C2,A5B2C2DE_mC44_5_5c_2c_2c_c_c:F-H-N-Nb-O,22.0,A5B2C2DE_mC44_5_5c_2c_2c_c_c:F-H-N-Nb-O +mp-758674,Li6V3P6WO24,-7.6926876385,-2.6210943948,0.0592729351,0.0592729351,GGA+U,P1,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-V-W,40.0,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Li-O-P-V-W +mp-772782,K2CePCO7,-7.5190214308,-2.7337984286,0.0330133704,0.0330133704,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ce-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ce-K-O-P, expected K2CePCO13 to be K2CePCO7" +mp-977037,KCe(PO3)4,-7.7834920272,-2.8914385459,0.0057724513,0.0033640483,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:Ce-K-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:Ce-K-O-P +mp-540753,KCe(PO3)4,-7.7892644785,-2.8972109972,0.0,-0.0024084029,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Ce-K-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Ce-K-O-P +mp-17189,K3Ce(PO4)2,-7.2174532079,-2.9557103008,0.0,-0.0439437574,GGA,P2_1/m,AB3C8D2_mP28_11_e_3e_4e2f_2e:Ce-K-O-P,28.0,"Invalid WP multiplicities - AB3C8D2_mP28_11_e_6e_8e7f_3e:Ce-K-O-P, expected K6CeP3O22 to be K3Ce(PO4)2" +mp-756880,KCePCO7,-7.8897676909,-2.7704697746,0.0324276902,0.0324276902,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ce-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ce-K-O-P, expected KCePCO13 to be KCePCO7" +mp-1195550,K2Ce(PO4)2,-7.5236729612,-3.0195189802,0.0,-0.0427088442,GGA,P2_1/c,AB2C8D2_mP52_14_e_2e_8e_2e:Ce-K-O-P,52.0,AB2C8D2_mP52_14_e_2e_8e_2e:Ce-K-O-P +mp-560528,K2Ce(PO4)2,-7.5203740369,-3.016220056,0.0032989242,-0.03940992,GGA,I4_1/amd,AB2C8D2_tI52_141_a_d_2h_e:Ce-K-O-P,26.0,"Invalid WP multiplicities - AB2C8D2_tI52_141_a_d_10h_e:Ce-K-O-P, expected K2Ce(PO20)2 to be K2Ce(PO4)2" +mp-756801,K3GePCO7,-6.6200049138,-2.2182346312,0.0717730537,0.0717730537,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Ge-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Ge-K-O-P, expected K4GePCO13 to be K3GePCO7" +mp-1196720,K2GeC6O13,-7.3233105407,-1.572275452,0.2599700087,0.2599700087,GGA,C2/c,A6BC2D13_mC176_15_6f_2e_2f_13f:C-Ge-K-O,88.0,A6BC2D13_mC176_15_6f_2e_2f_13f:C-Ge-K-O +mp-754175,KGePCO7,-7.2548012159,-2.2545997814,0.0243541698,0.0243541698,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ge-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ge-K-O-P, expected KGePCO13 to be KGePCO7" +mp-1224203,K2BAs2HO8,-6.4176064096,-2.0472733947,0.0,-0.0021338726,GGA,P4_1,A2BCD2E8_tP56_76_2a_a_a_2a_8a:As-B-H-K-O,56.0,A2BCD2E8_tP56_76_2a_a_a_2a_8a:As-B-H-K-O +mp-9665,K3BAs2,-3.5645602758,-0.3430893722,0.0110507406,0.0110507406,GGA,C2/c,A2BC3_mC24_15_f_e_ef:As-B-K,12.0,"Invalid WP multiplicities - A2BC3_mC24_15_f_e_e2f:As-B-K, expected K5BAs2 to be K3BAs2" +mp-1212483,Hg4PHNO7,-4.7908145091000005,-1.0062383723,0.2245028503,0.2245028503,GGA,P2_1/c,AB4CD7E_mP56_14_e_4e_e_7e_e:H-Hg-N-O-P,56.0,AB4CD7E_mP56_14_e_4e_e_7e_e:H-Hg-N-O-P +mp-1212468,Hg2P2H6O7,-5.2119044256,-1.3050136613,0.2469082498,0.2469082498,GGA,P-1,A6B2C7D2_aP34_2_6i_2i_7i_2i:H-Hg-O-P,34.0,A6B2C7D2_aP34_2_6i_2i_7i_2i:H-Hg-O-P +mp-757608,Hg2P2H4O9,-5.8104166635,-1.7207067621,0.0143722806,0.0143722806,GGA,P-1,A4B2C9D2_aP34_2_4i_2i_9i_2i:H-Hg-O-P,34.0,"Invalid WP multiplicities - A4B2C9D2_aP34_2_7i_3i_17i_3i:H-Hg-O-P, expected Hg3P3H7O17 to be Hg2P2H4O9" +mp-1197406,K3UC5O17,-6.9864449767,-1.4149202689,0.6386987112,0.6386987112,GGA,P-1,A5B3C17D_aP52_2_5i_3i_17i_i:C-K-O-U,52.0,A5B3C17D_aP52_2_5i_3i_17i_i:C-K-O-U +mp-1204957,K3UC5O17,-7.081063201,-1.5095384931,0.544080487,0.544080487,GGA,P-1,A5B3C17D_aP52_2_5i_3i_17i_i:C-K-O-U,52.0,A5B3C17D_aP52_2_5i_3i_17i_i:C-K-O-U +mp-1181495,KUC3O10,-7.6675151213,-1.6972022849,0.6037596915,0.6037596915,GGA,P2_1/c,A3BC10D_mP60_14_3e_e_10e_e:C-K-O-U,60.0,A3BC10D_mP60_14_3e_e_10e_e:C-K-O-U +mp-6194,K4UC3O11,-7.6175477955,-2.4684647377,0.0,-0.082263766,GGA,C2/c,A3B4C11D_mC76_15_ef_2f_e5f_e:C-K-O-U,38.0,A3B4C11D_mC76_15_ef_2f_e5f_e:C-K-O-U +mp-557407,K3NaUC3O11,-7.6192519816,-2.4590043792,0.0,-0.0015946388,GGA,P-62c,A3B3CD11E_hP38_190_h_g_c_f3h_d:C-K-Na-O-U,38.0,"Invalid WP multiplicities - A3B3CD11E_hP38_190_h_g_c_3f14h_d:C-K-Na-O-U, expected K3NaU(CO16)3 to be K3NaUC3O11" +mp-1224280,K3NaU(CO4)3,-7.3870547365,-2.2374850787,0.0985690816,0.0985690816,GGA,P31c,A3B3CD12E_hP40_159_c_c_b_a2b3c_b:C-K-Na-O-U,40.0,"Invalid WP multiplicities - A3B3CD12E_hP40_159_c_c_b_a4b3c_b:C-K-Na-O-U, expected K3NaUC3O14 to be K3NaU(CO4)3" +mp-1201015,K4UC2O11,-6.8055778064,-1.8831382171,0.3695168117,0.3695168117,GGA,P2_1/c,A2B4C11D_mP72_14_2e_4e_11e_e:C-K-O-U,72.0,A2B4C11D_mP72_14_2e_4e_11e_e:C-K-O-U +mp-4608,KPF6,-5.3419563588,-3.0928844514,0.0,-0.1673413325,GGA,R-3,A6BC_hR24_148_f_a_b:F-K-P,8.0,A6BC_hR24_148_f_a_b:F-K-P +mp-675569,KPF6,-5.3360345362,-3.0869626289,0.0059218225,-0.16141951,GGA,R-3m,A6BC_hR24_166_h_a_b:F-K-P,8.0,A6BC_hR24_166_h_a_b:F-K-P +mp-18684,KPF6,-5.3393340194,-3.090262112,0.0026223394,-0.1647189931,GGA,Pa-3,A6BC_cP32_205_d_a_b:F-K-P,32.0,A6BC_cP32_205_d_a_b:F-K-P +mp-559062,KP(OF)2,-6.2525693296,-2.8792298611,0.0,-0.0020442479,GGA,Pnma,A2BC2D_oP24_62_2c_c_d_c:F-K-O-P,24.0,"Invalid WP multiplicities - A2BC2D_oP24_62_5c_c_d_c:F-K-O-P, expected KPO2F5 to be KP(OF)2" +mp-1211896,K3PF6,-4.673927593,-2.6525902777,0.2412361099,0.2412361099,GGA,C2/m,A6B3C_mC20_12_ij_ce_a:F-K-P,10.0,A6B3C_aP10_2_3i_bcd_a:F-K-P +mp-6441,K2PO3F,-6.2570306575,-2.7733670144,0.0,-0.0123470168,GGA,Pnma,AB2C3D_oP28_62_c_2c_cd_c:F-K-O-P,28.0,AB2C3D_oP28_62_c_2c_cd_c:F-K-O-P +mp-558480,K2P2O5F2,-6.5809137082,-2.7987496719,0.0,-0.0050516625,GGA,C2/c,A2B2C5D2_mC44_15_f_f_e2f_f:F-K-O-P,22.0,"Invalid WP multiplicities - A2B2C5D2_mC44_15_f_f_2e3f_f:F-K-O-P, expected KPO4F to be K2P2O5F2" +mp-1223624,K3PO3F2,-5.8380458789,-2.7927654993,0.0167245169,0.0167245169,GGA,Fmm2,A2B3C3D_oF72_42_cd_2abd_ce_c:F-K-O-P,18.0,"Invalid WP multiplicities - A2B3C3D_oF72_42_cd_2abd_2c2e_c:F-K-O-P, expected K3P(O3F)2 to be K3PO3F2" +mp-730422,KSbP(O2F)2,-6.2723321636,-2.465397111,0.1336501674,0.1336501674,GGA,P2_1/c,A2BC4DE_mP36_14_2e_e_4e_e_e:F-K-O-P-Sb,36.0,A2BC4DE_mP36_14_2e_e_4e_e_e:F-K-O-P-Sb +mp-1212282,K2Ni(CO5)2,-5.9565380237,-0.8948611789,0.5040399678,0.5040399678,GGA+U,P2_1/c,A2B2CD10_mP30_14_e_e_a_5e:C-K-Ni-O,30.0,A2B2CD10_mP30_14_e_e_a_5e:C-K-Ni-O +mp-24573,K2NiH8(CO5)2,-6.080632228,-1.5994600093,0.0,-0.0075502892,GGA+U,P2_1/c,A2B8C2DE10_mP46_14_e_4e_e_a_5e:C-H-K-Ni-O,46.0,"Invalid WP multiplicities - A2B8C2DE10_mP46_14_e_7e_e_a_12e:C-H-K-Ni-O, expected K2NiH14(CO12)2 to be K2NiH8(CO5)2" +mp-554044,K2NiH12(C2O7)2,-6.1741651767,-1.4807727209,0.0388041079,0.0388041079,GGA+U,P2_1/c,A4B12C2DE14_mP66_14_2e_6e_e_a_7e:C-H-K-Ni-O,66.0,"Invalid WP multiplicities - A4B12C2DE14_mP66_14_7e_20e_e_a_24e:C-H-K-Ni-O, expected K2NiH40(C7O24)2 to be K2NiH12(C2O7)2" +mp-726838,KNiH9(CO5)2,-4.1520140196,0.4283898122,1.9492974663,1.9492974663,GGA+U,P-1,A2B9CDE10_aP23_2_i_a4i_c_f_5i:C-H-K-Ni-O,23.0,A2B9CDE10_aP23_2_i_a4i_c_f_5i:C-H-K-Ni-O +mp-1504391,KNiH9(CO5)2,-4.5859208713,-0.0055170396,1.5153906146,1.5153906146,GGA+U,P-1,A2B9CDE10_aP23_2_i_c4i_a_f_5i:C-H-K-Ni-O,23.0,A2B9CDE10_aP23_2_i_c4i_a_f_5i:C-H-K-Ni-O +mp-1204998,Cs3P11(H3N)3,-4.8870226329,-0.3571551764,0.0106329188,0.0106329188,GGA,P2_1/c,A3B9C3D11_mP104_14_3e_9e_3e_11e:Cs-H-N-P,104.0,A3B9C3D11_mP104_14_3e_9e_3e_11e:Cs-H-N-P +mp-767240,CsPH4(NO)2,-5.9117983357,-1.2672007026,0.0,-0.0295497549,GGA,P4_32_12,AB4C2D2E_tP40_96_a_2b_b_b_a:Cs-H-N-O-P,40.0,"Invalid WP multiplicities - AB4C2D2E_tP40_96_a_5b_b_b_a:Cs-H-N-O-P, expected CsPH10(NO)2 to be CsPH4(NO)2" +mp-1194478,CsP2H3N,-4.7290504439,-0.409524666,0.0232131493,0.0232131493,GGA,P2_1/c,AB3CD2_mP28_14_e_3e_e_2e:Cs-H-N-P,28.0,AB3CD2_mP28_14_e_3e_e_2e:Cs-H-N-P +mp-649608,K3Pr2(NO3)9,-6.8723436213,-1.4703422096,0.0,-0.026761349,GGA,P4_332,A3B9C27D2_cP164_212_d_de_d4e_c:K-N-O-Pr,164.0,"Invalid WP multiplicities - A3B9C27D2_cP164_212_d_10d10e_11d80e_c:K-N-O-Pr, expected K3Pr2(N10O57)9 to be K3Pr2(NO3)9" +mp-1196176,K2PrN5O17,-6.4888371654,-1.1777217108,0.1707041703,0.1707041703,GGA,Fdd2,A2B5C17D_oF200_43_b_a2b_a8b_a:K-N-O-Pr,50.0,A2B5C17D_oF200_43_b_a2b_a8b_a:K-N-O-Pr +mp-541987,K2PrH4N5O17,-6.4699938829,-1.4234838641,0.0042047962,0.0042047962,GGA,Fdd2,A4B2C5D17E_oF232_43_2b_b_a2b_a8b_a:H-K-N-O-Pr,58.0,A4B2C5D17E_oF232_43_2b_b_a2b_a8b_a:H-K-N-O-Pr +mp-1032834,KYMg6O8,-6.2713603162,-2.7243565631,0.3391517106,0.3391517106,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:K-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:K-Mg-O-Y, expected KYMg6O12 to be KYMg6O8" +mp-1032860,KYMg6O8,-6.3407346344,-2.7937308812,0.2697773925,0.2697773925,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:K-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:K-Mg-O-Y, expected KYMg6O12 to be KYMg6O8" +mp-1022815,KYMg6,-1.9709070588,0.1764117363,0.2309328471,0.2309328471,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Y, expected KYMg12 to be KYMg6" +mp-1022862,KYMg6,-1.961537255,0.18578154,0.2403026508,0.2403026508,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:K-Mg-Y, expected KYMg12 to be KYMg6" +mp-1037710,KYMg30O32,-6.32991433,-2.9880501062,0.0683571867,0.0683571867,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:K-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:K-Mg-O-Y, expected KYMg110O72 to be KYMg30O32" +mp-1037678,KYMg30O32,-6.3233149734000005,-2.9814507497,0.0749565433,0.0749565433,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:K-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:K-Mg-O-Y, expected KYMg90O80 to be KYMg30O32" +mp-1028051,KYMg14,-1.7686169787,0.1051824438,0.1446082041,0.1446082041,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Y, expected KYMg18 to be KYMg14" +mp-1028033,KYMg14,-1.7908390081,0.0829604144,0.1223861747,0.1223861747,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Y, expected KYMg26 to be KYMg14" +mp-1035990,KYMg14O16,-6.302423,-2.8921789331000003,0.1665953534,0.1665953534,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:K-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:K-Mg-O-Y, expected KYMg18O20 to be KYMg14O16" +mp-1035962,KYMg14O16,-6.3145478856,-2.9043038187,0.1544704678,0.1544704678,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:K-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:K-Mg-O-Y, expected KYMg30O32 to be KYMg14O16" +mp-24133,K2NiH12(SO7)2,-5.6783705387,-1.6061063837,0.0,-0.0065241121,GGA+U,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Ni-O-S,62.0,"Invalid WP multiplicities - A12B2CD14E2_mP62_14_20e_e_a_25e_e:H-K-Ni-O-S, expected K2NiH40(SO25)2 to be K2NiH12(SO7)2" +mp-1224963,K2Sc2P2WO12,-8.132029287,-2.9725168721,0.0042274986,0.0042274986,GGA+U,P1,A2B12C2D2E_aP76_1_8a_48a_8a_8a_4a:K-O-P-Sc-W,76.0,A2B12C2D2E_aP76_1_8a_48a_8a_8a_4a:K-O-P-Sc-W +mp-1211497,KSc(WO4)2,-8.703326745,-2.6256068948,0.0,-0.0135960305,GGA+U,C2/c,AB8CD2_mC48_15_e_4f_e_f:K-O-Sc-W,24.0,AB8CD2_mC48_15_e_4f_e_f:K-O-Sc-W +mp-1211349,KSc(WO4)2,-8.6603320025,-2.5826121523000003,0.0429947425,0.029398712,GGA+U,P-3m1,AB8CD2_hP12_164_a_di_b_d:K-O-Sc-W,12.0,AB8CD2_hP12_164_a_di_b_d:K-O-Sc-W +mp-1199710,B10H12C3O2,-5.6845878732,-0.311032164,0.2344118788,0.2344118788,GGA,P2_1/c,A10B3C12D2_mP108_14_10e_3e_12e_2e:B-C-H-O,108.0,A10B3C12D2_mP108_14_10e_3e_12e_2e:B-C-H-O +mp-696308,B3H7CO,-5.1150848967,-0.2848672441,0.2935552468,0.2935552468,GGA,P1,A3BC7D_aP24_1_6a_2a_14a_2a:B-C-H-O,24.0,A3BC7D_aP24_1_6a_2a_14a_2a:B-C-H-O +mp-558506,BH9(CO)3,-5.74311494,-0.7593656408,0.1717719662,0.1717719662,GGA,P6_3/m,AB3C9D3_hP32_176_a_h_hi_h:B-C-H-O,32.0,"Invalid WP multiplicities - AB3C9D3_hP32_176_a_h_3h4i_h:B-C-H-O, expected BH33(CO)3 to be BH9(CO)3" +mp-1182415,BH9(CO)3,-5.5305155591,-0.5467662599,0.3843713471,0.3843713471,GGA,P6_3/m,AB3C9D3_hP32_176_b_h_hi_h:B-C-H-O,32.0,AB3C9D3_hP32_176_b_h_hi_h:B-C-H-O +mp-1203656,B5H8CO6,-6.1381401939,-1.1657619452,0.3300941572,0.3300941572,GGA,C2/c,A5BC8D6_mC160_15_5f_f_8f_6f:B-C-H-O,80.0,A5BC8D6_mC160_15_5f_f_8f_6f:B-C-H-O +mp-696298,BH2CO,-5.9958691955,-0.4678295826,0.6044682757000001,0.6044682757000001,GGA,C2/c,ABC2D_mC40_15_f_f_2f_f:B-C-H-O,20.0,ABC2D_mC40_15_f_f_2f_f:B-C-H-O +mp-707494,B11H9C(Br3O2)2,-5.0596005584,-0.4679413906,0.4993200903,0.4993200903,GGA,P2_1/c,A11B6CD9E4_mP124_14_11e_6e_e_9e_4e:B-Br-C-H-O,124.0,A11B6CD9E4_mP124_14_11e_6e_e_9e_4e:B-Br-C-H-O +mp-22234,Eu2C(NO)2,-9.9515771843,-1.9074291321,0.0277925422,0.0277925422,GGA,P-3m1,AB2C2D2_hP7_164_a_d_c_d:C-Eu-N-O,7.0,AB2C2D2_hP7_164_a_d_c_d:C-Eu-N-O +mp-1190587,EuH9C5(NO4)2,-6.8968608928,-1.1696063645,0.1479874668,0.1479874668,GGA,C2,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Eu-H-N-O,25.0,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Eu-H-N-O +mp-554016,K4Ti2PO4F9,-6.4944995339,-3.3627021399,0.0,-0.0194797837,GGA,P2_1/c,A9B4C4DE2_mP80_14_9e_4e_4e_e_ace:F-K-O-P-Ti,80.0,"Invalid WP multiplicities - A9B4C4DE2_mP80_14_36e_12e_14e_e_2a2c2e:F-K-O-P-Ti, expected K12Ti4P(O7F18)2 to be K4Ti2PO4F9" +mp-684010,K8Ti5P2(O4F11)2,-6.5474472931,-3.4182627676,0.0,-0.0126453939,GGA,P2_1/c,A22B8C8D2E5_mP180_14_22e_8e_8e_2e_5e:F-K-O-P-Ti,180.0,"Invalid WP multiplicities - A22B8C8D2E5_mP180_14_84e_29e_29e_5e_17e:F-K-O-P-Ti, expected K29Ti17P5O29F84 to be K8Ti5P2(O4F11)2" +mp-1195988,Te2H18N4O11,-5.3304471369,-0.8985832477000001,0.2186199262,0.2186199262,GGA,C2/c,A18B4C11D2_mC140_15_9f_2f_e5f_f:H-N-O-Te,70.0,A18B4C11D2_mC140_15_9f_2f_e5f_f:H-N-O-Te +mp-1246765,V4Te3N2,-7.5596617914,-0.6220471458,0.3085190527,0.3085190527,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-Te-V,36.0,A2B3C4_oP36_62_d_cd_2cd:N-Te-V +mp-1208538,Te3H4(NO6)2,-5.7060068521,-0.9900984595,0.2198392295,0.2198392295,GGA,Fdd2,A4B2C12D3_oF168_43_2b_b_6b_ab:H-N-O-Te,42.0,A4B2C12D3_oF168_43_2b_b_6b_ab:H-N-O-Te +mp-1208771,VTe(NO4)2,-6.3554353725,-0.6492927472000001,0.6961805079000001,0.6961805079000001,GGA+U,P2_1/c,A2B8CD_mP48_14_2e_8e_e_e:N-O-Te-V,48.0,A2B8CD_mP48_14_2e_8e_e_e:N-O-Te-V +mp-1199327,VTeH11(NO4)2,-5.8095836657,-1.2098576657,0.0858477632,0.0858477632,GGA+U,P2_1/c,A11B2C8DE_mP92_14_11e_2e_8e_e_e:H-N-O-Te-V,92.0,A11B2C8DE_mP92_14_11e_2e_8e_e_e:H-N-O-Te-V +mp-1198255,KV5ZnO22,-6.6732341745,-1.2726540174,0.3939100196,0.3939100196,GGA+U,P-1,AB22C5D_aP58_2_i_22i_5i_i:K-O-V-Zn,58.0,AB22C5D_aP58_2_i_22i_5i_i:K-O-V-Zn +mp-699505,KV5Zn(H8O11)2,-6.1593574242,-1.4726809515,0.2850891277,0.2850891277,GGA+U,P-1,A16BC22D5E_aP90_2_16i_i_22i_5i_i:H-K-O-V-Zn,90.0,A16BC22D5E_aP90_2_16i_i_22i_5i_i:H-K-O-V-Zn +mp-1182650,KV5Zn(H8O11)2,-6.4192440567,-1.7325675839,0.0252024953,0.0252024953,GGA+U,P-1,A16BC22D5E_aP90_2_16i_i_22i_5i_i:H-K-O-V-Zn,90.0,A16BC22D5E_aP90_2_16i_i_22i_5i_i:H-K-O-V-Zn +mp-863831,K2V4Zn5O20,-6.2993153448,-1.6609632658,0.2352331612,0.2352331612,GGA+U,Pnnm,A2B20C4D5_oP62_58_g_6g2h_2g_ah:K-O-V-Zn,62.0,A2B20C4D5_oP62_58_g_6g2h_2g_ah:K-O-V-Zn +mp-867517,V2Sn4H24C8O9,-5.6813547736,-0.7030346251,0.1456548433,0.1456548433,GGA+U,Pnnm,A8B24C9D4E2_oP188_58_4g2h_4g10h_e4h_2gh_h:C-H-O-Sn-V,188.0,A8B24C9D4E2_oP188_58_4g2h_4g10h_e4h_2gh_h:C-H-O-Sn-V +mp-759318,VH10(CO5)2,-6.2911969627,-1.4679193707,0.0504313229,0.0504313229,GGA+U,P2_1/c,A2B10C10D_mP92_14_2e_10e_10e_e:C-H-O-V,92.0,"Invalid WP multiplicities - A2B10C10D_mP92_14_3e_39e_39e_e:C-H-O-V, expected VH39(CO13)3 to be VH10(CO5)2" +mp-698158,VH7(CO2)4,-6.740524164,-1.2744661617,0.1167870838,0.1167870838,GGA+U,P-1,A4B7C8D_aP40_2_4i_7i_8i_i:C-H-O-V,40.0,A4B7C8D_aP40_2_4i_7i_8i_i:C-H-O-V +mp-1208136,VH3(C2O3)2,-7.3945726695,-1.261938495,0.1761144185,0.1761144185,GGA+U,P2_1/c,A4B3C6D_mP56_14_4e_3e_6e_e:C-H-O-V,56.0,A4B3C6D_mP56_14_4e_3e_6e_e:C-H-O-V +mp-560734,VH9C3O4,-5.8913978491000005,-0.7683865669000001,0.248334001,0.248334001,GGA+U,P-1,A3B9C4D_aP68_2_6i_18i_8i_2i:C-H-O-V,68.0,"Invalid WP multiplicities - A3B9C4D_aP68_2_11i_36i_16i_2i:C-H-O-V, expected V2H36C11O16 to be VH9C3O4" +mp-1202014,VH16C7O6,-5.9467671724,-0.6918233889000001,0.1725264328,0.1725264328,GGA+U,C2/c,A7B16C6D_mC240_15_7f_16f_6f_f:C-H-O-V,120.0,A7B16C6D_mC240_15_7f_16f_6f_f:C-H-O-V +mp-1207864,VH3CO5,-7.00631809,-1.6838987646,0.0638237245,0.0638237245,GGA+U,P-1,AB3C5D_aP20_2_i_3i_5i_i:C-H-O-V,20.0,AB3C5D_aP20_2_i_3i_5i_i:C-H-O-V +mp-1216447,V4HC3,-8.9205251325,-0.4937317822,0.0074977428,0.0074977428,GGA,R-3m,A3BC4_hR24_166_ac_b_2c:C-H-V,8.0,"Invalid WP multiplicities - A3BC4_hR24_166_a2c_b_2c:C-H-V, expected V4HC5 to be V4HC3" +mp-1217000,VH26(C3O)4,-5.6796441657,-0.3813761658,0.1462936311,0.1462936311,GGA+U,P2_1,A12B26C4D_mP86_4_12a_26a_4a_a:C-H-O-V,86.0,"Invalid WP multiplicities - A12B26C4D_mP86_4_22a_50a_6a_a:C-H-O-V, expected VH50(C11O3)2 to be VH26(C3O)4" +mp-605091,VSnH9(CO)3,-5.7341306905,-0.6662439293,0.164608843,0.164608843,GGA+U,P2_1/c,A3B9C3DE_mP136_14_6e_18e_6e_2e_2e:C-H-O-Sn-V,136.0,"Invalid WP multiplicities - A3B9C3DE_mP136_14_19e_69e_17e_4e_4e:C-H-O-Sn-V, expected V4Sn4H69C19O17 to be VSnH9(CO)3" +mp-1198563,V6H36C12O19,-6.1081499663,-0.8838671517000001,0.2384739254,0.2384739254,GGA+U,Pna2_1,A12B36C19D6_oP292_33_12a_36a_19a_6a:C-H-O-V,292.0,A12B36C19D6_oP292_33_12a_36a_19a_6a:C-H-O-V +mp-705959,V8Sn16H85(C8O9)4,-5.6751332688,-0.5982733737,0.2833984352,0.2833984352,GGA+U,P1,A32B85C36D16E8_aP177_1_32a_85a_36a_16a_8a:C-H-O-Sn-V,177.0,A32B85C36D16E8_aP177_1_32a_85a_36a_16a_8a:C-H-O-Sn-V +mp-601182,VH4(CO3)2,-6.9161525904,-1.4705930902,0.1238733614,0.1238733614,GGA+U,Pcca,A2B4C6D_oP52_54_f_2f_2c2f_c:C-H-O-V,52.0,"Invalid WP multiplicities - A2B4C6D_oP52_54_f_10f_7c11f_c:C-H-O-V, expected VH20C2O29 to be VH4(CO3)2" +mp-631589,VN2(Cl3O)2,-5.1289207945,-0.8796941307,0.1281254564,0.1281254564,GGA+U,P2_1/c,A6B2C2D_mP22_14_3e_e_e_a:Cl-N-O-V,22.0,"Invalid WP multiplicities - A6B2C2D_mP22_14_11e_e_e_a:Cl-N-O-V, expected VN2(Cl11O)2 to be VN2(Cl3O)2" +mp-27523,VPCl9,-4.1887920791,-1.3584249412,0.0,-0.0216058368,GGA,Cmme,A9BC_oC44_67_gmno_a_g:Cl-P-V,22.0,"Invalid WP multiplicities - A9BC_oC44_67_gmn2o_a_g:Cl-P-V, expected VPCl13 to be VPCl9" +mp-555373,VP2Cl7O4,-5.5165702432,-1.7567829183,0.0661990842,0.0661990842,GGA+U,P-1,A7B4C2D_aP28_2_7i_4i_2i_i:Cl-O-P-V,28.0,"Invalid WP multiplicities - A7B4C2D_aP28_2_13i_7i_3i_i:Cl-O-P-V, expected VP3Cl13O7 to be VP2Cl7O4" +mp-561324,VP2NCl10O,-4.7139105917,-1.268639837,0.1297739583,0.1297739583,GGA+U,Pbca,A10BCD2E_oP120_61_10c_c_c_2c_c:Cl-N-O-P-V,120.0,"Invalid WP multiplicities - A10BCD2E_oP120_61_77c_c_c_11c_c:Cl-N-O-P-V, expected VP11NCl77O to be VP2NCl10O" +mp-767417,K2AlPCO7,-7.1943585021,-2.5914282769,0.0320060569,0.0320060569,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:Al-C-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:Al-C-K-O-P, expected K2AlPCO13 to be K2AlPCO7" +mp-1207865,V(BS2)2,-5.8675396371,-0.297755483,0.6116545709,0.6116545709,GGA,C2/m,A2B4C_mC14_12_i_2i_a:B-S-V,7.0,A2B4C_mC14_12_i_2i_a:B-S-V +mp-781738,Na6V2B4SO16,-7.1846064538,-2.4913650665,0.0151045643,0.0151045643,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Na-O-S-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_3e4g_a_d:B-Na-O-S-V, expected Na6V2B4SO60 to be Na6V2B4SO16" +mp-728493,RbVH4(OF2)2,-5.6924671,-2.2612472988,0.0,-0.0500907496,GGA+U,C2/c,A4B4C2DE_mC48_15_2f_2f_f_e_c:F-H-O-Rb-V,48.0,A4B4C2DE_mC48_15_2f_2f_f_e_a:F-H-O-Rb-V +mp-559739,RbVOF3,-6.4341086758,-2.9765143831,0.0,-0.0446627806,GGA+U,Pbam,A3BCD_oP24_55_2gh_g_h_g:F-O-Rb-V,24.0,"Invalid WP multiplicities - A3BCD_oP24_55_5g3h_g_h_g:F-O-Rb-V, expected RbVOF8 to be RbVOF3" +mp-1191935,RbVOF3,-6.4326358829,-2.9750415902,0.0014727929,-0.0431899877,GGA+U,Pbam,A3BCD_oP24_55_2gh_g_h_g:F-O-Rb-V,24.0,A3BCD_oP24_55_2gh_g_h_g:F-O-Rb-V +mp-726760,Rb2V(OF2)2,-5.7340927106,-2.5580629875,0.0820615962,0.0820615962,GGA+U,Cmcm,A4B2C2D_oC36_63_fg_2c_e_c:F-O-Rb-V,18.0,A4B2C2D_oC36_63_fg_2c_e_c:F-O-Rb-V +mp-1188203,Rb2V(OF2)2,-5.7387622333,-2.5627325103,0.0773920734,0.0773920734,GGA+U,Cmcm,A4B2C2D_oC36_63_fg_2c_e_c:F-O-Rb-V,18.0,A4B2C2D_oC36_63_fg_2c_e_c:F-O-Rb-V +mp-643561,VH6(OF)3,-4.5903624438,-0.7430727995,1.148324234,1.1359041913,GGA+U,P1,A3B6C3D_aP13_1_3a_6a_3a_a:F-H-O-V,13.0,A3B6C3D_aP13_1_3a_6a_3a_a:F-H-O-V +mp-1178817,VH6(OF)3,-4.8656352915,-1.0183456472,0.8730513863,0.8606313437,GGA+U,P1,A3B6C3D_aP13_1_3a_6a_3a_a:F-H-O-V,13.0,A3B6C3D_aP13_1_3a_6a_3a_a:F-H-O-V +mp-1187773,VH6(OF)3,-5.7386866779,-1.8913970336,0.0,-0.0124200427,GGA+U,R3m,A3B6C3D_hR39_160_b_c_b_a:F-H-O-V,52.0,A3B6C3D_hR39_160_b_c_b_a:F-H-O-V +mp-1202687,Hg2BOF4,-4.47759133,-1.9926716947,0.1103838459,0.1103838459,GGA,Pbca,AB4C2D_oP64_61_c_4c_2c_c:B-F-Hg-O,64.0,AB4C2D_oP64_61_c_4c_2c_c:B-F-Hg-O +mp-4710,Hg3(BO3)2,-5.6616206427,-1.6661700151,0.0,-0.0201675516,GGA,R-3c,A2B3C6_hR66_167_c_e_f:B-Hg-O,22.0,A2B3C6_hR66_167_c_e_f:B-Hg-O +mp-1212477,Hg3BI2(OF2)2,-3.9252030033,-1.5854980985,0.0460270433,0.0460270433,GGA,P2_1/c,AB4C3D2E2_mP48_14_e_4e_3e_2e_2e:B-F-Hg-I-O,48.0,AB4C3D2E2_mP48_14_e_4e_3e_2e_2e:B-F-Hg-I-O +mp-12022,HgB4O7,-7.5507757929,-2.4134367573,0.0719932043,0.0392955294,GGA,Pmn2_1,A4BC7_oP24_31_2b_a_a3b:B-Hg-O,24.0,"Invalid WP multiplicities - A4BC7_oP24_31_4b_a_a4b:B-Hg-O, expected HgB8O9 to be HgB4O7" +mp-16585,HgB4O7,-7.6227689972,-2.4854299616,0.0,-0.0326976749,GGA,Pbca,A4BC7_oP96_61_4c_c_7c:B-Hg-O,96.0,"Invalid WP multiplicities - A4BC7_oP96_61_5c_c_11c:B-Hg-O, expected HgB5O11 to be HgB4O7" +mp-567299,KC2IN2,-6.394046855,-0.108365833,0.4735633353,0.4735633353,GGA,C2/m,A2BCD2_mC12_12_i_a_d_i:C-I-K-N,6.0,A2BCD2_mC12_12_i_a_c_i:C-I-K-N +mp-570105,K2PtC4(IN2)2,-6.6017015842,-0.3325242316,0.2046411545,0.2046411545,GGA,P2_1/c,A4B2C2D4E_mP26_14_2e_e_e_2e_a:C-I-K-N-Pt,26.0,"Invalid WP multiplicities - A4B2C2D4E_mP26_14_5e_e_e_2e_a:C-I-K-N-Pt, expected K2PtC10(IN2)2 to be K2PtC4(IN2)2" +mp-1199428,K6In3H12(N8O27)2,-6.1996061869,-1.1871307296,0.0,-0.0176556773,GGA,I-43d,A12B3C6D16E54_cI364_220_e_a_d_ce_d4e:H-In-K-N-O,182.0,A12B3C6D16E54_cI364_220_e_a_d_ce_d4e:H-In-K-N-O +mp-1246610,KInN,-3.7804901567,0.2857023773,0.5532294165,0.5532294165,GGA,P4/mmm,ABC_tP3_123_b_c_a:In-K-N,3.0,ABC_tP3_123_b_c_a:In-K-N +mp-1245639,KInN,-3.9457824233,0.1204101107,0.3879371498,0.3879371498,GGA,P3m1,ABC_hP3_156_a_b_c:In-K-N,3.0,ABC_hP3_156_a_b_c:In-K-N +mp-696941,K2H2RuO5,-5.903876563,-1.602466955,0.0,-0.0133600915,GGA,P2_12_12_1,A2B2C5D_oP40_19_2a_2a_5a_a:H-K-O-Ru,40.0,A2B2C5D_oP40_19_2a_2a_5a_a:H-K-O-Ru +mp-722787,K4P4H7(RuO9)2,-6.5751536103,-2.0770653242,0.0251957163,0.0251957163,GGA,P2_1/c,A7B4C18D4E2_mP70_14_a3e_2e_9e_2e_e:H-K-O-P-Ru,70.0,"Invalid WP multiplicities - A7B4C18D4E2_mP70_14_2a10e_5e_33e_5e_e:H-K-O-P-Ru, expected K5P5H11RuO33 to be K4P4H7(RuO9)2" +mp-1204153,RbUB5O11F,-8.2628580508,-2.8947550125,0.0626595756,0.0626595756,GGA,Cc,A5BC11DE_mC76_9_5a_a_11a_a_a:B-F-O-Rb-U,38.0,A5BC11DE_mC76_9_5a_a_11a_a_a:B-F-O-Rb-U +mp-568604,KHgC2IN2,-5.6471211871,-0.2160116876,0.2827847424,0.2827847424,GGA,Cmcm,A2BCDE2_oC28_63_f_a_c_c_f:C-Hg-I-K-N,14.0,A2BCDE2_oC28_63_f_a_c_c_f:C-Hg-I-K-N +mp-6051,K2Hg(CN)4,-6.711087555,-0.0942584705,0.2570391084,0.2570391084,GGA,Fd-3m,A4BC2D4_cF88_227_e_a_d_e:C-Hg-K-N,22.0,A4BC2D4_cF88_227_e_a_d_e:C-Hg-K-N +mp-567381,KHgC2,-4.7433541694,0.2244984049,0.35871443,0.35871443,GGA,Fddd,A2BC_oF64_70_h_e_f:C-Hg-K,16.0,A2BC_oF64_70_h_e_f:C-Hg-K +mp-1245690,Sb(C2N3)3,-8.177528355,0.2305621775,0.2305621775,0.2305621775,GGA,Cmcm,A6B9C_oC64_63_gh_cfgh_c:C-N-Sb,32.0,A6B9C_oC64_63_gh_cfgh_c:C-N-Sb +mp-582587,SbH6C2I,-4.6150964426000005,-0.1734909581,0.1081514817,0.1081514817,GGA,Pbca,A2B6CD_oP80_61_2c_6c_c_c:C-H-I-Sb,80.0,"Invalid WP multiplicities - A2B6CD_oP80_61_12c_43c_c_c:C-H-I-Sb, expected SbH43C12I to be SbH6C2I" +mp-1200492,Sb2(I3N)3,-2.3253760425,0.9980371293,1.460786028,1.460786028,GGA,P2_1/c,A9B3C2_mP56_14_9e_3e_2e:I-N-Sb,56.0,A9B3C2_mP56_14_9e_3e_2e:I-N-Sb +mp-733600,Sb3H36(C3I2)4,-4.5237750061,-0.1668926663,0.1503227861,0.1503227861,GGA,I-43d,A12B36C8D3_cI236_220_e_3e_2c_a:C-H-I-Sb,118.0,A12B36C8D3_cI236_220_e_3e_2c_a:C-H-I-Sb +mp-1245514,Sb2(CN2)3,-7.6452228764,0.1695924425,0.1695924425,0.1695924425,GGA,C2/m,A3B6C2_mC22_12_ai_3i_i:C-N-Sb,11.0,A3B6C2_mC22_12_ai_3i_i:C-N-Sb +mp-1245995,Sb2(CN2)3,-7.7147501905,0.1000651284,0.1000651284,0.1000651284,GGA,R-3c,A3B6C2_hR66_167_e_f_c:C-N-Sb,22.0,A3B6C2_hR66_167_e_f_c:C-N-Sb +mp-1199335,Sb2H18C3(IN)9,-5.038345766,-0.5187891991,0.0027226085,-0.0099386703,GGA,Cmcm,A3B18C9D9E2_oC164_63_cf_3g3h_cfgh_cfgh_f:C-H-I-N-Sb,82.0,A3B18C9D9E2_oC164_63_cf_3g3h_cfgh_cfgh_f:C-H-I-N-Sb +mp-1202009,Sb2H18C3(IN)9,-5.0410683745,-0.5215118076,0.0,-0.0126612788,GGA,Cmcm,A3B18C9D9E2_oC164_63_cf_3g3h_cfgh_cfgh_f:C-H-I-N-Sb,82.0,A3B18C9D9E2_oC164_63_cf_3g3h_cfgh_cfgh_f:C-H-I-N-Sb +mp-761898,Sb3H18C6N,-4.9547814942,-0.0560471938,0.174678883,0.174678883,GGA,P2_1/c,A6B18CD3_mP112_14_6e_18e_e_3e:C-H-N-Sb,112.0,"Invalid WP multiplicities - A6B18CD3_mP112_14_21e_69e_e_9e:C-H-N-Sb, expected Sb9H69C21N to be Sb3H18C6N" +mp-560102,RbUSO6F,-7.6610570713,-2.8610565528,0.0,-0.0538435846,GGA,Pca2_1,AB6CDE_oP120_29_3a_18a_3a_3a_3a:F-O-Rb-S-U,120.0,"Invalid WP multiplicities - AB6CDE_oP120_29_9a_70a_7a_7a_10a:F-O-Rb-S-U, expected Rb7U10S7O70F9 to be RbUSO6F" +mp-699498,U2CuP2(HO)24,-6.3052579436,-1.8212091539,0.0,-0.0033645355,GGA,P4/nnc,AB24C24D2E2_tP106_126_a_3k_2ei2k_d_e:Cu-H-O-P-U,106.0,AB24C24D2E2_tP106_126_a_3k_2ei2k_d_e:Cu-H-O-P-U +mp-699483,U2CuP2(H4O5)4,-6.6265155898,-1.9746613788,0.0,-0.0027174679,GGA,P4/n,AB16C20D2E2_tP82_85_c_4g_4c4g_ab_2c:Cu-H-O-P-U,82.0,AB16C20D2E2_tP82_85_c_4g_4c4g_ab_2c:Cu-H-O-P-U +mp-6785,K3UO2F5,-6.5116913968,-3.4141114776,0.0,-0.0101533675,GGA,I4_1/a,A5B3C2D_tI88_88_e2f_abf_f_e:F-K-O-U,44.0,A5B3C2D_tI88_88_e2f_abf_f_e:F-K-O-U +mp-1196582,K2U2Cr2O15F2,-7.1644234015,-1.8542929034,0.507801296,0.507801296,GGA+U,P2_1/c,A2B2C2D15E2_mP92_14_2e_2e_2e_15e_2e:Cr-F-K-O-U,92.0,A2B2C2D15E2_mP92_14_2e_2e_2e_15e_2e:Cr-F-K-O-U +mp-13897,K3UF7,-6.0554813511,-3.5097577490000003,0.0011772461,0.0011772461,GGA,I4_1/a,A7B3C_tI88_88_e3f_abf_e:F-K-U,44.0,A7B3C_tI88_88_e3f_abf_e:F-K-U +mp-557888,K5U2O4F9,-6.7070058842,-3.4507618689,0.0,-0.0147887883,GGA,C2/c,A9B5C4D2_mC80_15_e4f_c2f_2f_f:F-K-O-U,40.0,"Invalid WP multiplicities - A9B5C4D2_mC80_15_2e12f_2a6f_4f_f:F-K-O-U, expected K7UO4F13 to be K5U2O4F9" +mp-1180964,K5U2O4F9,-6.610039371,-3.3537953556,0.0969665132,0.0821777249,GGA,C2/c,A9B5C4D2_mC80_15_e4f_c2f_2f_f:F-K-O-U,40.0,"Invalid WP multiplicities - A9B5C4D2_mC80_15_2e11f_2a6f_5f_f:F-K-O-U, expected K7UO5F12 to be K5U2O4F9" +mp-1206061,K3UF6,-5.8046931310000005,-3.1955450654,0.141364384,0.141364384,GGA,I4/mmm,A6B3C_tI20_139_ei_bd_a:F-K-U,10.0,A6B3C_tI20_139_ei_bd_a:F-K-U +mp-675943,K3UF3,-4.93533623,-2.0271871224,0.4893161829,0.4893161829,GGA,P1,A3B3C_aP7_1_3a_3a_a:F-K-U,7.0,A3B3C_aP7_1_3a_3a_a:F-K-U +mp-685608,K2UF6,-6.4032018428,-3.6275260973,0.0111898917,-0.0264179508,GGA,C2/c,A6B2C_mC36_15_3f_2e_e:F-K-U,18.0,"Invalid WP multiplicities - A6B2C_mC36_15_6f_4e_e:F-K-U, expected K4UF12 to be K2UF6" +mp-1224157,K2UF6,-6.4143917344,-3.638715989,0.0,-0.0376078425,GGA,Immm,A6B2C_oI18_71_fn_g_a:F-K-U,9.0,"Invalid WP multiplicities - A6B2C_oI18_71_2f3n_g_a:F-K-U, expected K2UF16 to be K2UF6" +mp-4731,K2UF6,-6.3802981511,-3.6046224057,0.0340935833,-0.0035142592,GGA,P-62m,A6B2C_hP9_189_fg_c_b:F-K-U,9.0,A6B2C_hP9_189_fg_c_b:F-K-U +mp-1211824,KU6F25,-7.558086881699999,-3.9129045944,0.0103138201,0.0103138201,GGA,P6_3/mmc,A25BC6_hP64_194_efhi2k_c_k:F-K-U,64.0,A25BC6_hP64_194_efhi2k_c_k:F-K-U +mp-669376,KU2F9,-7.1920226679,-3.7839785284,0.0683432113,0.0591377296,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-K-U,48.0,"Invalid WP multiplicities - A9BC2_oP48_62_3c26d_c_d:F-K-U, expected KU2F55 to be KU2F9" +mp-504555,KU2F9,-7.2603658792,-3.8523217396,0.0,-0.0092054817,GGA,Pnma,A9BC2_oP48_62_c4d_c_d:F-K-U,48.0,A9BC2_oP48_62_c4d_c_d:F-K-U +mp-542558,KUCrO6,-8.5138134925,-2.7654814153,0.0,-0.0091501925,GGA+U,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Cr-K-O-U,36.0,ABC6D_mP36_14_e_e_6e_e:Cr-K-O-U +mp-1212160,K3U2O6F7,-6.7183432608,-2.8864264886,0.2310704713,0.2310704713,GGA,P2_1/m,A7B3C6D2_mP36_11_e3f_a2e_2e2f_f:F-K-O-U,36.0,A7B3C6D2_mP36_11_e3f_a2e_2e2f_f:F-K-O-U +mp-1199421,K2U3(O5F4)2,-6.9783925189,-2.5934470069,0.3651205057,0.3651205057,GGA,Ama2,A8B2C10D3_oC92_40_4c_2b_a3b3c_ac:F-K-O-U,46.0,A8B2C10D3_oC92_40_4c_2b_a3b3c_ac:F-K-O-U +mp-772763,K2ScPCO7,-7.5771410067,-2.7586363419,0.0,-0.0220163769,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Sc,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Sc, expected K2ScPCO13 to be K2ScPCO7" +mp-555901,KCuCO3F,-6.3503730121,-1.894684982,0.0,-0.0136223345,GGA,Pmc2_1,ABCDE3_oP14_26_a_a_b_b_3a:C-Cu-F-K-O,14.0,"Invalid WP multiplicities - ABCDE3_oP14_26_a_a_b_b_6a:C-Cu-F-K-O, expected KCuCO6F to be KCuCO3F" +mp-1212236,K2Cu(C2O5)2,-6.7448185341,-1.2917859667,0.5360591882,0.5360591882,GGA,P-1,A4BC2D10_aP34_2_4i_bd_2i_10i:C-Cu-K-O,34.0,A4BC2D10_aP34_2_4i_bd_2i_10i:C-Cu-K-O +mp-1224071,K5CuCO5,-5.3303277392,-1.6958852014,0.0123300192,0.0123300192,GGA,Aem2,ABC5D5_oC48_39_c_a_b2cd_c2d:C-Cu-K-O,24.0,"Invalid WP multiplicities - ABC5D5_oC48_39_c_a_b3c2d_2c2d:C-Cu-K-O, expected K8CuCO6 to be K5CuCO5" +mp-661485,K2Cu(CO3)2,-6.7759414755,-1.825262583,0.0339468755,-0.015791618,GGA,P1,A2BC2D6_aP22_1_4a_2a_4a_12a:C-Cu-K-O,22.0,A2BC2D6_aP22_1_4a_2a_4a_12a:C-Cu-K-O +mp-542332,K2Cu(CO3)2,-6.8098883509,-1.8592094585,0.0,-0.0497384934,GGA,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:C-Cu-K-O,22.0,A2BC2D6_oF88_43_b_a_b_3b:C-Cu-K-O +mp-1213545,K4ZrC8O21,-6.7846991871,-1.1759026197,0.8495073679,0.8495073679,GGA,P2_1/c,A8B4C21D_mP136_14_8e_4e_21e_e:C-K-O-Zr,136.0,A8B4C21D_mP136_14_8e_4e_21e_e:C-K-O-Zr +mp-725603,ZrP2CO6,-8.1591399725,-2.3308296322,0.3915229406,0.3915229406,GGA,P2_1,AB6C2D_mP20_4_a_6a_2a_a:C-O-P-Zr,20.0,AB6C2D_mP20_4_a_6a_2a_a:C-O-P-Zr +mp-757002,KZrPCO7,-8.1198445677,-2.7628546991,0.0319592093,0.0319592093,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Zr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Zr, expected KZrPCO13 to be KZrPCO7" +mp-1198105,K3ZrC7O16,-7.3510051383,-1.5870579051,0.4770246447,0.4770246447,GGA,P2_1/c,A7B3C16D_mP108_14_7e_3e_16e_e:C-K-O-Zr,108.0,A7B3C16D_mP108_14_7e_3e_16e_e:C-K-O-Zr +mp-1199305,K3ZrC3O13,-6.7158853862,-1.5222930265,0.4118090743,0.4118090743,GGA,P2_1/c,A3B3C13D_mP80_14_3e_3e_13e_e:C-K-O-Zr,80.0,A3B3C13D_mP80_14_3e_3e_13e_e:C-K-O-Zr +mp-1208198,UH6C2O9,-7.1171443108,-1.8601834405,0.0278822131,0.0278822131,GGA,P2_1/c,A2B6C9D_mP72_14_2e_6e_9e_e:C-H-O-U,72.0,A2B6C9D_mP72_14_2e_6e_9e_e:C-H-O-U +mp-1197308,UH4(C2O5)2,-7.6065416766,-1.7516015043,0.1141906798,0.1141906798,GGA,C2/c,A4B4C10D_mC76_15_2f_2f_5f_e:C-H-O-U,38.0,A4B4C10D_mC76_15_2f_2f_5f_e:C-H-O-U +mp-1213514,CsU2H(C2O7)2,-8.2340601957,-2.1868214518,0.2468109981,0.2468109981,GGA,P2_1/m,A4BCD14E2_mP44_11_2f_e_e_2e6f_f:C-Cs-H-O-U,44.0,A4BCD14E2_mP44_11_2f_e_e_2e6f_f:C-Cs-H-O-U +mp-573096,Cs4UC3O11,-7.5609230687,-2.4571024477,0.0,-0.1062249365,GGA,C2/c,A3B4C11D_mC76_15_ef_2f_e5f_e:C-Cs-O-U,38.0,"Invalid WP multiplicities - A3B4C11D_mC76_15_2e2f_4f_2e19f_e:C-Cs-O-U, expected Cs8U(C3O20)2 to be Cs4UC3O11" +mp-1191449,UH3CO6,-7.6491472941,-2.1602031209,0.0427664088,0.0427664088,GGA,P-1,AB3C6D_aP22_2_i_3i_6i_i:C-H-O-U,22.0,AB3C6D_aP22_2_i_3i_6i_i:C-H-O-U +mp-605374,CsU2H3(C2O7)2,-8.0629704771,-2.2369411248,0.0434988778,0.0434988778,GGA,P2_1/m,A4BC3D14E2_mP48_11_2f_e_ef_2e6f_f:C-Cs-H-O-U,48.0,"Invalid WP multiplicities - A4BC3D14E2_mP48_11_5f_e_e2f_4e23f_f:C-Cs-H-O-U, expected CsU2H5(CO5)10 to be CsU2H3(C2O7)2" +mp-559639,K4U(PO5)2,-7.3889283862,-2.9167814495,0.0,-0.0491846766,GGA,P4_2/nmc,A4B10C2D_tP34_137_g_c2g_d_a:K-O-P-U,34.0,"Invalid WP multiplicities - A4B10C2D_tP34_137_g_3c9g_d_a:K-O-P-U, expected K4U(PO21)2 to be K4U(PO5)2" +mp-611623,U(CoP)2,-8.054250636,-0.7873205133000001,0.0,-0.0220292787,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Co-P-U,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_ac_2b2c_c:Co-P-U, expected U(CoP2)2 to be U(CoP)2" +mp-20629,U(CoP)2,-7.243745557,0.0231845657,0.810505079,0.7884758003,GGA,P4/nmm,A2B2C_tP10_129_ac_bc_c:Co-P-U,10.0,"Invalid WP multiplicities - A2B2C_tP10_129_a2c_bc_c:Co-P-U, expected UCo3P2 to be U(CoP)2" +mp-1196790,U2Co(PO11)2,-6.8907806513,-1.3594882633,0.5026375716,0.5026375716,GGA+U,P2_1/c,AB22C2D2_mP54_14_a_11e_e_e:Co-O-P-U,54.0,AB22C2D2_mP54_14_a_11e_e_e:Co-O-P-U +mp-556708,KUP3O11,-8.1066984611,-2.9157426923000003,0.0014423591,-0.0307778391,GGA,P2_1/m,AB11C3D_mP128_11_4e_8e18f_2e5f_2ef:K-O-P-U,128.0,"Invalid WP multiplicities - AB11C3D_mP128_11_7e_16e68f_3e15f_2e2f:K-O-P-U, expected K7U6P33O152 to be KUP3O11" +mp-557505,KUP3O11,-8.1081408202,-2.9171850514,0.0,-0.0322201982,GGA,P2_1/c,AB11C3D_mP128_14_2e_22e_6e_2e:K-O-P-U,128.0,"Invalid WP multiplicities - AB11C3D_mP128_14_8e_84e_19e_5e:K-O-P-U, expected K8U5P19O84 to be KUP3O11" +mp-606691,KU2P3O14,-8.5485981872,-3.089259765,0.0,-0.0328850171,GGA,Pbcn,AB14C3D2_oP80_60_c_7d_cd_d:K-O-P-U,80.0,"Invalid WP multiplicities - AB14C3D2_oP80_60_c_52d_3c3d_d:K-O-P-U, expected KU2P9O104 to be KU2P3O14" +mp-1205017,K2UCoP2O11,-7.4885849144,-2.4379551182,0.2008791831,0.2008791831,GGA+U,P2_1/c,AB2C11D2E_mP68_14_e_2e_11e_2e_e:Co-K-O-P-U,68.0,AB2C11D2E_mP68_14_e_2e_11e_2e_e:Co-K-O-P-U +mp-1091407,UCoP2,-8.09887791,-0.7922947054,0.0230888934,0.0230888934,GGA,P4/nmm,AB2C_tP8_129_a_bc_c:Co-P-U,8.0,AB2C_tP8_129_a_bc_c:Co-P-U +mp-1187852,U2Co12P7,-7.6201640762,-0.6784616425000001,0.0,-0.0792608937,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-U,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Co-P-U +mp-1223397,KU2(PO4)3,-8.6063531547,-3.0900536535,0.0291535758,-0.0039362425,GGA,Cc,AB12C3D2_mC72_9_a_12a_3a_2a:K-O-P-U,36.0,"Invalid WP multiplicities - AB12C3D2_mC72_9_a_18a_4a_3a:K-O-P-U, expected KU3(P2O9)2 to be KU2(PO4)3" +mp-560812,KU2(PO4)3,-8.6355067306,-3.1192072293,0.0,-0.0330898184,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:K-O-P-U,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_12f_e_c:K-O-P-U, expected KU2(PO24)3 to be KU2(PO4)3" +mp-1223680,KCoP2H5O9,-6.4626698696,-1.9888281817,0.0021356716,0.0021356716,GGA+U,Pna2_1,AB5CD9E2_oP72_33_a_5a_a_9a_2a:Co-H-K-O-P,72.0,"Invalid WP multiplicities - AB5CD9E2_oP72_33_a_15a_a_24a_7a:Co-H-K-O-P, expected KCoP7(H5O8)3 to be KCoP2H5O9" +mp-746692,K2Co3P4(HO4)4,-6.9292472959,-2.1734926453,0.0055882047,0.0055882047,GGA+U,P2_1/c,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Co-H-K-O-P,58.0,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Co-H-K-O-P +mp-1188582,K2CoP2(H3O4)2,-5.9896350968,-1.7746042199,0.093664337,0.093664337,GGA+U,C2/m,AB6C2D8E2_mC38_12_a_ij_i_2ij_i:Co-H-K-O-P,38.0,AB6C2D8E2_mC38_12_a_ij_i_2ij_i:Co-H-K-O-P +mp-643954,KCoPH2O5,-6.5312804325,-2.016188943,0.0172112029,0.0172112029,GGA+U,Pmn2_1,AB2CD5E_oP20_31_a_b_a_3ab_a:Co-H-K-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_mP20_6_2a2b_2c_ab_3a3b2c_ab:Co-H-K-O-P, expected KCo2PH2O5 to be KCoPH2O5" +mp-764838,K2CoP4H10O17,-6.3102894135,-1.9278395824,0.0903241412,0.0903241412,GGA+U,P2_1/c,AB10C2D17E4_mP136_14_ab_10e_2e_17e_4e:Co-H-K-O-P,136.0,"Invalid WP multiplicities - AB10C2D17E4_mP136_14_ab_23e_3e_57e_15e:Co-H-K-O-P, expected K3CoP15H23O57 to be K2CoP4H10O17" +mp-1195899,K2CoP4(HO2)8,-6.517501871,-2.0894001466,0.0,-0.0015533001,GGA+U,P-1,AB8C2D16E4_aP31_2_a_4i_i_8i_2i:Co-H-K-O-P,124.0,AB8C2D16E4_aP31_2_a_4i_i_8i_2i:Co-H-K-O-P +mp-758882,K2CoP4(HO2)8,-6.4831244458,-2.0550227214,0.0343774252,0.0328241251,GGA+U,Pnma,AB8C2D16E4_oP124_62_c_4d_2c_2c7d_2d:Co-H-K-O-P,124.0,"Invalid WP multiplicities - AB8C2D16E4_oP124_62_c_13d_5c_7c26d_5d:Co-H-K-O-P, expected K5CoP10H26O59 to be K2CoP4(HO2)8" +mp-706653,H8S2N2O5,-5.5397247779,-1.0208341015,0.0828587771,0.0828587771,GGA,Pnma,A8B2C5D2_oP68_62_4c2d_2c_c2d_2c:H-N-O-S,68.0,A8B2C5D2_oP68_62_4c2d_2c_c2d_2c:H-N-O-S +mp-706620,H6S2N2O3,-5.283452825,-0.6571211337,0.2993660803,0.2993660803,GGA,C2,A6B2C3D2_mC52_5_6c_abc_3c_2c:H-N-O-S,26.0,A6B2C3D2_mC52_5_6c_abc_3c_2c:H-N-O-S +mp-1191304,Nd2S4N2O17,-6.4757190028,-1.4017673119,0.7157849565000001,0.7157849565000001,GGA,P1,A2B2C17D4_aP25_1_2a_2a_17a_4a:N-Nd-O-S,25.0,A2B2C17D4_aP25_1_2a_2a_17a_4a:N-Nd-O-S +mp-1203459,H7S2NO8,-5.808545465,-1.3678795392,0.0,-0.0100199476,GGA,P2_1/c,A7BC8D2_mP72_14_7e_e_8e_2e:H-N-O-S,72.0,A7BC8D2_mP72_14_7e_e_8e_2e:H-N-O-S +mp-774927,NdH4S2NO8,-6.5662652453,-1.9086429977,0.0,-0.005743487,GGA,P2_1/c,A4BCD8E2_mP64_14_4e_e_e_8e_2e:H-N-Nd-O-S,64.0,"Invalid WP multiplicities - A4BCD8E2_mP64_14_11e_e_e_21e_3e:H-N-Nd-O-S, expected NdH11S3NO21 to be NdH4S2NO8" +mp-642706,H4S(NO)2,-5.7079695183,-0.7886671495,0.1270947717,0.1270947717,GGA,Fdd2,A4B2C2D_oF72_43_2b_b_b_a:H-N-O-S,18.0,A4B2C2D_oF72_43_2b_b_b_a:H-N-O-S +mp-605694,NdH12S2NO12,-5.9682373553,-1.6307188136,0.009386051,0.009386051,GGA,P2_1/c,A12BCD12E2_mP112_14_12e_e_e_12e_2e:H-N-Nd-O-S,112.0,"Invalid WP multiplicities - A12BCD12E2_mP112_14_45e_e_e_44e_7e:H-N-Nd-O-S, expected NdH45S7NO44 to be NdH12S2NO12" +mp-697666,H6S(NO2)2,-5.6948131679,-1.0061554116,0.1155311424,0.1155311424,GGA,P2_12_12_1,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S,52.0,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S +mp-23991,H6S(NO2)2,-5.7232761092,-1.0346183529,0.0870682011,0.0870682011,GGA,P2_12_12_1,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S,52.0,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S +mp-721268,H6S(NO2)2,-5.4882688273,-0.7996110710000001,0.322075483,0.322075483,GGA,P2_12_12_1,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S,52.0,A6B2C4D_oP52_19_6a_2a_4a_a:H-N-O-S +mp-24468,H8S(NO2)2,-5.6044666038,-1.0885997424,0.0,-0.0288249469,GGA,Pna2_1,A8B2C4D_oP60_33_8a_2a_4a_a:H-N-O-S,60.0,"Invalid WP multiplicities - A8B2C4D_oP60_33_11a_2a_4a_a:H-N-O-S, expected H11S(NO2)2 to be H8S(NO2)2" +mp-23876,H8S(NO2)2,-5.5971592702,-1.0812924087,0.0073073337,-0.0215176133,GGA,Pnma,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-O-S,60.0,"Invalid WP multiplicities - A8B2C4D_oP60_62_7c2d_2c_2cd_c:H-N-O-S, expected H11S(NO2)2 to be H8S(NO2)2" +mp-1198753,H8S(NO2)2,-5.585833964,-1.0699671025,0.0186326398,-0.0101923071,GGA,Pnma,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-O-S,60.0,"Invalid WP multiplicities - A8B2C4D_oP60_62_7c2d_2c_2cd_c:H-N-O-S, expected H11S(NO2)2 to be H8S(NO2)2" +mp-1204682,H8S(NO2)2,-5.559577993,-1.0437111315,0.0448886108,0.0160636639,GGA,Pnma,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-O-S,60.0,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-O-S +mp-757595,H3SNO3,-5.8042889558,-1.1178903232,0.0822215701,0.0822215701,GGA,Pbca,A3BC3D_oP64_61_3c_c_3c_c:H-N-O-S,64.0,"Invalid WP multiplicities - A3BC3D_oP64_61_9c_c_9c_c:H-N-O-S, expected H9SNO9 to be H3SNO3" +mp-603327,H3SNO3,-5.8574021491,-1.1710035165,0.0291083768,0.0291083768,GGA,Pbca,A3BC3D_oP64_61_3c_c_3c_c:H-N-O-S,64.0,"Invalid WP multiplicities - A3BC3D_oP64_61_17c_c_16c_c:H-N-O-S, expected H17SNO16 to be H3SNO3" +mp-721279,H3SNO3,-5.8649629012,-1.1785642687,0.0215476246,0.0215476246,GGA,Pbca,A3BC3D_oP64_61_3c_c_3c_c:H-N-O-S,64.0,A3BC3D_oP64_61_3c_c_3c_c:H-N-O-S +mp-720765,H3SNO4,-5.8565662383,-1.1412464859,0.1688440374,0.1688440374,GGA,P2_1/c,A3BC4D_mP36_14_3e_e_4e_e:H-N-O-S,36.0,A3BC4D_mP36_14_3e_e_4e_e:H-N-O-S +mp-1204580,NdH6SNO10,-6.3024414558,-1.7201080028,0.0035349166,0.0035349166,GGA,P2_1/m,A6BCD10E_mP38_11_3f_e_e_4e3f_e:H-N-Nd-O-S,38.0,A6BCD10E_mP38_11_3f_e_e_4e3f_e:H-N-Nd-O-S +mp-1197630,NdS3(NO4)3,-5.7826130863,-0.4380211735,1.3145253007,1.3145253007,GGA,R32,A3BC12D3_hR114_155_f_c_4f_f:N-Nd-O-S,38.0,A3BC12D3_hR114_155_f_c_4f_f:N-Nd-O-S +mp-1181341,H4SNO4,-5.6594206622000005,-1.0763602806,0.2001514917,0.2001514917,GGA,P2_1/c,A4BC4D_mP40_14_4e_e_4e_e:H-N-O-S,40.0,A4BC4D_mP40_14_4e_e_4e_e:H-N-O-S +mp-703297,H7S(NO2)2,-5.65901813,-1.0629269245,0.0418647488,0.0418647488,GGA,P-1,A7B2C4D_aP28_2_7i_2i_4i_i:H-N-O-S,28.0,A7B2C4D_aP28_2_7i_2i_4i_i:H-N-O-S +mp-1224558,H8S2N2O3,-5.3294079777,-0.8675570392,0.0680456735,0.0680456735,GGA,P1,A8B2C3D2_aP30_1_16a_4a_6a_4a:H-N-O-S,30.0,A8B2C3D2_aP30_1_16a_4a_6a_4a:H-N-O-S +mp-1201498,H16S(N3O5)2,-5.6644774429,-0.8794494656,0.2114759717,0.2114759717,GGA,P2_1/c,A16B6C10D_mP132_14_16e_6e_10e_e:H-N-O-S,132.0,A16B6C10D_mP132_14_16e_6e_10e_e:H-N-O-S +mp-1201997,H16S(N3O5)2,-5.6597424635,-0.8747144862,0.2162109511,0.2162109511,GGA,P2_1/c,A16B6C10D_mP132_14_16e_6e_10e_e:H-N-O-S,132.0,A16B6C10D_mP132_14_16e_6e_10e_e:H-N-O-S +mp-707020,H10S(NO)4,-5.594401382,-0.7945884945,0.1241560665,0.1241560665,GGA,P2_1/c,A10B4C4D_mP76_14_10e_4e_4e_e:H-N-O-S,76.0,A10B4C4D_mP76_14_10e_4e_4e_e:H-N-O-S +mp-757652,H13S2N3O8,-5.6529602038,-1.1544474044,0.002177755,-0.0013984781,GGA,P-1,A13B3C8D2_aP104_2_26i_6i_16i_4i:H-N-O-S,104.0,"Invalid WP multiplicities - A13B3C8D2_aP104_2_51i_11i_31i_7i:H-N-O-S, expected H51S7N11O31 to be H13S2N3O8" +mp-1224664,H13S2N3O8,-5.6486876429,-1.1501748435,0.0064503159,0.0028740828,GGA,Cc,A13B3C8D2_mC104_9_13a_3a_8a_2a:H-N-O-S,52.0,"Invalid WP multiplicities - A13B3C8D2_mC104_9_19a_4a_12a_3a:H-N-O-S, expected H19S3(NO3)4 to be H13S2N3O8" +mp-541932,H13S2N3O8,-5.6551379588,-1.1566251594,0.0,-0.0035762331,GGA,P2/c,A13B3C8D2_mP104_13_13g_ef2g_8g_2g:H-N-O-S,104.0,A13B3C8D2_mP104_13_13g_ef2g_8g_2g:H-N-O-S +mp-721299,H13S2N3O8,-5.6428009471,-1.1442881477,0.0123370116,0.0087607785,GGA,C2/c,A13B3C8D2_mC104_15_a6f_ef_4f_f:H-N-O-S,52.0,A13B3C8D2_mC104_15_c6f_ef_4f_f:H-N-O-S +mp-1198268,HSNO4,-5.5305992045,-0.4373955356,0.8551000615000001,0.8551000615000001,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:H-N-O-S,56.0,ABC4D_mP56_14_2e_2e_8e_2e:H-N-O-S +mp-733614,H8S(NO3)2,-5.6004248751,-1.0338730902,0.1764354831,0.1764354831,GGA,P2_1/c,A8B2C6D_mP68_14_8e_2e_6e_e:H-N-O-S,68.0,A8B2C6D_mP68_14_8e_2e_6e_e:H-N-O-S +mp-1195328,H5S2NO7,-5.9112609113,-1.3646045205,0.0014548156,0.0014548156,GGA,P2_1/c,A5BC7D2_mP60_14_5e_e_7e_2e:H-N-O-S,60.0,A5BC7D2_mP60_14_5e_e_7e_2e:H-N-O-S +mp-1201106,NdH10S3N3O11,-6.1176157314,-1.4559079428,0.0735104385,0.0735104385,GGA,P-1,A10B3CD11E3_aP56_2_10i_3i_i_11i_3i:H-N-Nd-O-S,56.0,A10B3CD11E3_aP56_2_10i_3i_i_11i_3i:H-N-Nd-O-S +mp-696283,H4S4N6O,-5.762386319,-0.0902288584,0.3303212349,0.3303212349,GGA,C2/m,A4B6CD4_mC60_12_2ij_2i2j_i_2ij:H-N-O-S,30.0,A4B6CD4_mC60_12_2ij_2i2j_i_2ij:H-N-O-S +mp-850378,H11S2N3O7,-5.6834624127,-1.1082801526,0.0221384486,0.0221384486,GGA,Pna2_1,A11B3C7D2_oP92_33_11a_3a_7a_2a:H-N-O-S,92.0,"Invalid WP multiplicities - A11B3C7D2_oP92_33_41a_9a_25a_5a:H-N-O-S, expected H41S5N9O25 to be H11S2N3O7" +mp-706982,H10S(NO2)2,-5.3836171137,-0.9998844659,0.0198207319,0.0198207319,GGA,P2_1/c,A10B2C4D_mP68_14_10e_2e_4e_e:H-N-O-S,68.0,A10B2C4D_mP68_14_10e_2e_4e_e:H-N-O-S +mp-720843,H10S(NO2)2,-5.2607654335,-0.8770327858,0.1426724121,0.1426724121,GGA,P2_1/c,A10B2C4D_mP68_14_10e_2e_4e_e:H-N-O-S,68.0,A10B2C4D_mP68_14_10e_2e_4e_e:H-N-O-S +mp-1224778,H20SN8O13,-5.6892935977,-0.8562011355,0.2351396045,0.2351396045,GGA,P2_1,A20B8C13D_mP84_4_20a_8a_13a_a:H-N-O-S,84.0,A20B8C13D_mP84_4_20a_8a_13a_a:H-N-O-S +mp-1225081,H20SN8O13,-5.6881260376,-0.8550335754,0.2363071646,0.2363071646,GGA,P2_1,A20B8C13D_mP84_4_20a_8a_13a_a:H-N-O-S,84.0,A20B8C13D_mP84_4_20a_8a_13a_a:H-N-O-S +mp-1214743,CaPH5(WO2)2,-6.2561296073,-0.8649336137,0.6641289719,0.6641289719,GGA+U,Cc,AB5C4DE2_mC52_9_a_5a_4a_a_2a:Ca-H-O-P-W,,AB5C4DE2_mC52_9_a_5a_4a_a_2a:Ca-H-O-P-W +mp-736513,CoB12H28(NO15)2,-5.3791227821,-0.6211638849000001,1.2479747465,1.2479747465,GGA+U,P-1,A12BC28D2E30_aP73_2_6i_a_14i_i_15i:B-Co-H-N-O,73.0,A12BC28D2E30_aP73_2_6i_a_14i_i_15i:B-Co-H-N-O +mp-1521904,KLaVWO6,-8.423109865,-2.6462524031,0.1062364481,0.1062364481,GGA+U,F-43m,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-V-W,10.0,ABC6DE_cF40_216_c_d_f_a_b:K-La-O-V-W +mp-1198865,YbH12C8NO8,-6.4077838342,-0.9413955217,0.2138791404,0.2138791404,GGA,I4_1/a,A8B12CD8E_tI120_88_2f_3f_a_2f_b:C-H-N-O-Yb,,A8B12CD8E_tI120_88_2f_3f_a_2f_b:C-H-N-O-Yb +mp-1195544,YbH12(CN3)3,-6.2037086797,-0.4050378147,0.0683389103,0.0683389103,GGA,Pn-3,A3B12C9D_cP200_201_h_4h_3h_bc:C-H-N-Yb,,A3B12C9D_cP200_201_h_4h_3h_bc:C-H-N-Yb +mp-1195012,YbH12(CN3)3,-6.2092933964,-0.4106225315,0.0627541935,0.0627541935,GGA,Im-3,A3B12C9D_cI200_204_g_2h_gh_c:C-H-N-Yb,,A3B12C9D_cI200_204_g_2h_gh_c:C-H-N-Yb +mp-1105386,YbH3CN3,-6.4735711081,-0.7290790228,0.0,-0.1172168117,GGA,P6_3/m,AB3C3D_hP16_176_c_h_h_b:C-H-N-Yb,,AB3C3D_hP16_176_c_h_h_b:C-H-N-Yb +mp-1103732,Yb(H2N)2,-5.2856232879,-0.7451229579,0.0,-0.1595447891,GGA,I4_1/amd,A4B2C_tI28_141_h_e_a:H-N-Yb,,A4B2C_tI28_141_h_e_a:H-N-Yb +mp-705525,Yb6H20N8O49,-5.8555725931,-1.2028993783,0.0814863974,0.0814863974,GGA,P-1,A20B8C49D6_aP83_2_10i_4i_a24i_3i:H-N-O-Yb,,A20B8C49D6_aP83_2_10i_4i_a24i_3i:H-N-O-Yb +mp-1200022,Yb6H40N8O49,-5.786159205,-1.3781359261,0.0302683457,0.0302683457,GGA,P-1,A40B8C49D6_aP103_2_20i_4i_a24i_3i:H-N-O-Yb,,A40B8C49D6_aP103_2_20i_4i_a24i_3i:H-N-O-Yb +mp-1190437,YbH9C5(NO4)2,-6.5104851328,-1.1319263453,0.2227839777,0.2227839777,GGA,C2,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Yb,,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Yb +mp-734199,MnH(CO)4,-7.5683634025,-0.6427475873,0.6894420323,0.6894420323,GGA+U,P-1,A4BCD4_aP60_2_12i_3i_3i_12i:C-H-Mn-O,60.0,A4BCD4_aP60_2_12i_3i_3i_12i:C-H-Mn-O +mp-23821,MnH4(CO3)2,-6.9832233646,-1.5316554627,0.0390289401,0.0390289401,GGA+U,C2/c,A2B4CD6_mC52_15_f_2f_e_3f:C-H-Mn-O,26.0,A2B4CD6_mC52_15_f_2f_e_3f:C-H-Mn-O +mp-1180198,MnH4(CO3)2,-6.9649039208,-1.5133360189,0.0573483839,0.0573483839,GGA+U,C2/c,A2B4CD6_mC52_15_f_2f_e_3f:C-H-Mn-O,26.0,A2B4CD6_mC52_15_f_2f_e_3f:C-H-Mn-O +mp-1222084,Mn4H2C8O17,-8.203468472600001,-1.7080960439,0.0581121664,0.0581121664,GGA+U,Pnc2,A8B2C4D17_oP62_30_4c_c_2c_a8c:C-H-Mn-O,62.0,"Invalid WP multiplicities - A8B2C4D17_oP62_30_12c_c_6c_a24c:C-H-Mn-O, expected Mn12H2C24O49 to be Mn4H2C8O17" +mp-1197162,MnH(CO)5,-7.6841191785,-0.7314931489000001,0.5999578589,0.5999578589,GGA+U,C2/c,A5BCD5_mC96_15_5f_f_f_5f:C-H-Mn-O,48.0,A5BCD5_mC96_15_5f_f_f_5f:C-H-Mn-O +mp-558013,MnH2(CO2)2,-7.4346062494,-1.4133225592,0.1330351383,0.1330351383,GGA+U,Pbcn,A2B2CD4_oP36_60_d_d_c_2d:C-H-Mn-O,36.0,"Invalid WP multiplicities - A2B2CD4_oP36_60_d_d_c_10d:C-H-Mn-O, expected MnH2(CO10)2 to be MnH2(CO2)2" +mp-1211095,MnH4(C2O3)2,-7.141255014,-1.1860741,0.1751857158,0.1751857158,GGA+U,C2/c,A4B4CD6_mC180_15_6f_6f_cde_9f:C-H-Mn-O,90.0,A4B4CD6_mC180_15_6f_6f_abe_9f:C-H-Mn-O +mp-746778,MnHC3O4,-7.576086955,-0.9063655484,0.5738451401,0.5738451401,GGA+U,P-3,A3BCD4_hP72_147_4g_dg_dg_d5g:C-H-Mn-O,72.0,A3BCD4_hP72_147_4g_dg_dg_d5g:C-H-Mn-O +mp-24476,MnH6(CO3)2,-6.53727956,-1.3602239057,0.080412321,0.080412321,GGA+U,P2_1/c,A2B6CD6_mP60_14_2e_6e_ad_6e:C-H-Mn-O,60.0,"Invalid WP multiplicities - A2B6CD6_mP60_14_2e_10e_ab_11e:C-H-Mn-O, expected MnH10C2O11 to be MnH6(CO3)2" +mp-1245360,Na7VN4,-4.5932408695,-0.2859439675,0.0710148491,0.0710148491,GGA,Pa-3,A4B7C_cP96_205_cd_c2d_c:N-Na-V,96.0,A4B7C_cP96_205_cd_c2d_c:N-Na-V +mp-1029711,NaVN2,-7.5930112844,-0.8231559810000001,0.0,-0.0282852205,GGA,Cmce,A2BC_oC32_64_ef_f_f:N-Na-V,16.0,A2BC_oC32_64_ef_f_f:N-Na-V +mp-1245818,Na3V6N11,-8.3565300895,-0.8479072657000001,0.0924796882,0.0924796882,GGA,P4bm,A11B3C6_tP40_100_bc2d_ac_cd:N-Na-V,40.0,A11B3C6_tP40_100_bc2d_ac_cd:N-Na-V +mp-1245371,Na3VN2,-5.1114746287,-0.1573959954,0.3913746586,0.3913746586,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-V,48.0,A2B3C_cI96_206_ad_e_c:N-Na-V +mp-1194816,VH9(NF)3,-5.6021174255,-1.2044697909,0.0228944638,0.0228944638,GGA+U,P2_1/c,A3B9C3D_mP64_14_3e_9e_3e_e:F-H-N-V,64.0,A3B9C3D_mP64_14_3e_9e_3e_e:F-H-N-V +mp-1209962,NaVH8(NF3)2,-5.3938444683,-1.7443942806,0.0276334549,0.0276334549,GGA+U,Fm-3m,A6B8C2DE_cF72_225_e_f_c_a_b:F-H-N-Na-V,18.0,A6B8C2DE_cF72_225_e_f_c_a_b:F-H-N-Na-V +mp-1079436,NaV(NF3)2,-5.161263313,-1.3064338112,1.047847035,1.047847035,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-N-Na-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-N-Na-V +mp-1203485,Fe3B11HO20,-8.3000299797,-2.5511764546,0.0,-0.0119916088,GGA+U,Pmn2_1,A11B3CD20_oP140_31_11b_6a_b_12a14b:B-Fe-H-O,140.0,A11B3CD20_oP140_31_11b_6a_b_12a14b:B-Fe-H-O +mp-863008,Fe2B3H7(CO)6,-6.4406360436,-0.3664933241,0.8161891857,0.8161891857,GGA+U,P2_1/c,A3B6C2D7E6_mP96_14_3e_6e_2e_7e_6e:B-C-Fe-H-O,96.0,A3B6C2D7E6_mP96_14_3e_6e_2e_7e_6e:B-C-Fe-H-O +mp-1203859,FeB10(H13O4)2,-5.2181900458,-0.7060050285,0.1944547408,0.1944547408,GGA+U,C2/c,A10BC26D8_mC180_15_5f_c_13f_4f:B-Fe-H-O,90.0,A10BC26D8_mC180_15_5f_a_13f_4f:B-Fe-H-O +mp-818725,FeB6(CO)4,-6.7573476978,0.2591715455,1.5820908523,1.5820908523,GGA+U,Pbca,A6B4CD4_oP120_61_6c_4c_c_4c:B-C-Fe-O,120.0,A6B4CD4_oP120_61_6c_4c_c_4c:B-C-Fe-O +mp-1194745,FeB12(HO6)4,-7.627171534,-2.2390213948,0.114270167,0.114270167,GGA+U,P2_1/c,A12BC4D24_mP82_14_6e_a_2e_12e:B-Fe-H-O,82.0,A12BC4D24_mP82_14_6e_a_2e_12e:B-Fe-H-O +mp-1199603,MnV5H20NO22,-6.4927896006,-1.602999537,0.0664221884,0.0664221884,GGA+U,P-1,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mn-N-O-V,98.0,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mn-N-O-V +mp-1246419,MnVN2,-9.4265893413,-0.6968615382000001,0.2132367312,0.2132367312,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-V,16.0,AB2C_oP16_33_a_2a_a:Mn-N-V +mp-1245875,MnVN2,-9.4657237775,-0.7359959745,0.174102295,0.174102295,GGA,R3m,AB2C_hR12_160_a_2a_a:Mn-N-V,4.0,AB2C_hR12_160_a_2a_a:Mn-N-V +mp-1246736,Mn3VN3,-9.3023146321,-0.5052522434,0.1878595311,0.1878595311,GGA,P6_3/mmc,A3B3C_hP14_194_h_h_c:Mn-N-V,14.0,A3B3C_hP14_194_h_h_c:Mn-N-V +mp-1245484,Mn3V8N9,-9.71333472,-0.9540472819,0.1806549111,0.1806549111,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-V,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-V +mp-1245505,Mn2VN3,-9.4111048033,-0.6748678985000001,0.09125611,0.09125611,GGA,Cmcm,A2B3C_oC24_63_g_cg_c:Mn-N-V,12.0,A2B3C_oC24_63_g_cg_c:Mn-N-V +mp-1245928,Mn4VN4,-9.3037956361,-0.5173570874,0.1279910675,0.1279910675,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mn-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Mn-N-V +mp-2228697,K3YMgV2O8,-7.1394705107,-2.530185855,0.1882894695,0.1882894695,GGA+U,C2/m,A3BC8D2E_mC30_12_ci_b_2ij_i_a:K-Mg-O-V-Y,15.0,"Invalid WP multiplicities - A3BC8D2E_mC30_12_ci_b_3i2j_i_a:K-Mg-O-V-Y, expected K3YMgV2O14 to be K3YMgV2O8" +mp-1035982,YMg14VO16,-6.5809994691,-2.9215833046,0.128131583,0.128131583,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-V-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-V-Y, expected YMg18VO20 to be YMg14VO16" +mp-1035981,YMg14VO16,-6.5820915391,-2.9226753746,0.127039513,0.127039513,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-V-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-V-Y, expected YMg30VO32 to be YMg14VO16" +mp-1032755,YMg6VO8,-6.8698146681,-2.8244667198,0.2209227559,0.2209227559,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-V-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-V-Y, expected YMg6VO12 to be YMg6VO8" +mp-1032772,YMg6VO8,-6.8416857325,-2.7963377842,0.2490516915,0.2490516915,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-V-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-V-Y, expected YMg6VO12 to be YMg6VO8" +mp-2218270,Y2MgV2O7,-8.658665235800001,-3.0480106195,0.190133895,0.190133895,GGA+U,C2,AB7C2D2_mC24_5_a_a3c_c_2b:Mg-O-V-Y,12.0,"Invalid WP multiplicities - AB7C2D2_mC24_5_a_a5c_c_2b:Mg-O-V-Y, expected Y2MgV2O11 to be Y2MgV2O7" +mp-2218245,Y2MgV2O7,-8.675001526700001,-3.0643469104,0.1737976042,0.1737976042,GGA+U,Cm,AB7C2D2_mC24_8_a_3a2b_2a_b:Mg-O-V-Y,12.0,AB7C2D2_mC24_8_a_3a2b_2a_b:Mg-O-V-Y +mp-1037735,YMg30VO32,-6.4556911891,-2.9892409165,0.0626366769,0.0626366769,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-V-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-V-Y, expected YMg90VO80 to be YMg30VO32" +mp-1037737,YMg30VO32,-6.4560488877,-2.9895986151,0.0622789784,0.0622789784,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-V-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-V-Y, expected YMg110VO72 to be YMg30VO32" +mp-2218585,Y2MgV2O8,-8.6524348469,-3.092854531,0.1098640712,0.1098640712,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-V-Y,13.0,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-V-Y +mp-2218316,Y2MgV2O8,-8.6250947554,-3.0655144395,0.1372041627,0.1372041627,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-V-Y,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_ab_ab:Mg-O-V-Y, expected Y2MgV2O16 to be Y2MgV2O8" +mp-1202629,CdH20N6OF2,-5.0109071002,-0.7587062050000001,0.0,-0.0128201383,GGA,P3_121,AB2C20D6E_hP90_152_a_c_10c_3c_b:Cd-F-H-N-O,90.0,AB2C20D6E_hP90_152_a_c_10c_3c_b:Cd-F-H-N-O +mp-1181217,HgI3NO,-3.3892326642,-0.3880721556,0.1492547751,0.1492547751,GGA,Cc,AB3CD_mC24_9_a_3a_a_a:Hg-I-N-O,12.0,AB3CD_mC24_9_a_3a_a_a:Hg-I-N-O +mp-557250,HgINO3,-4.9204144883000005,-0.7614798594000001,0.0,-0.0498164473,GGA,Pnma,ABCD3_oP24_62_c_c_c_cd:Hg-I-N-O,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_3c3d:Hg-I-N-O, expected HgINO9 to be HgINO3" +mp-976118,HgH6I3NO,-3.9415941817,-0.7446509049000001,0.0174861336,0.0174861336,GGA,Cc,A6BC3DE_mC48_9_6a_a_3a_a_a:H-Hg-I-N-O,24.0,"Invalid WP multiplicities - A6BC3DE_mC48_9_12a_a_6a_a_a:H-Hg-I-N-O, expected HgH12I6NO to be HgH6I3NO" +mp-1199474,CsUP2(HO4)2,-7.342215885,-2.3870459439,0.2355541723,0.2355541723,GGA,P-1,AB2C8D2E_aP56_2_2i_4i_16i_4i_2i:Cs-H-O-P-U,56.0,AB2C8D2E_aP56_2_2i_4i_16i_4i_2i:Cs-H-O-P-U +mp-1202678,Cs2U3P6(HO5)4,-7.8287178177,-2.6673027257,0.0,-0.0296425053,GGA,C2/m,A2B4C20D6E3_mC70_12_i_2i_4i3j_3i_ai:Cs-H-O-P-U,35.0,A2B4C20D6E3_mC70_12_i_2i_4i3j_3i_ai:Cs-H-O-P-U +mp-1212315,LiPH2S3N7,-4.3447244368,1.7175963874,2.1600020032,2.1600020032,GGA,P-1,A2BC7DE3_aP28_2_2i_i_7i_i_3i:H-Li-N-P-S,28.0,A2BC7DE3_aP28_2_2i_i_7i_i_3i:H-Li-N-P-S +mp-1198596,Li2P7(H3N)9,-5.0492450212,-0.4194001141,0.0,-0.0122214886,GGA,P-1,A27B2C9D7_aP90_2_27i_2i_9i_7i:H-Li-N-P,90.0,A27B2C9D7_aP90_2_27i_2i_9i_7i:H-Li-N-P +mp-707324,PH6SN3,-5.5081901026,-0.5158634282,0.0,-0.0270737931,GGA,Pbca,A6B3CD_oP88_61_6c_3c_c_c:H-N-P-S,88.0,A6B3CD_oP88_61_6c_3c_c_c:H-N-P-S +mp-760046,LiPH21S3N7,-5.0597224664,-0.5344410605000001,0.0,-0.0393097412,GGA,P-1,A21BC7DE3_aP66_2_21i_i_7i_i_3i:H-Li-N-P-S,66.0,"Invalid WP multiplicities - A21BC7DE3_aP66_2_41i_i_13i_i_5i:H-Li-N-P-S, expected LiPH41S5N13 to be LiPH21S3N7" +mp-1202324,P2H10SN6,-5.7164144083,-0.5106625725,0.0042794244,0.0042794244,GGA,P2_1/c,A10B6C2D_mP76_14_10e_6e_2e_e:H-N-P-S,76.0,A10B6C2D_mP76_14_10e_6e_2e_e:H-N-P-S +mp-722502,Li3P11(H3N)17,-5.0450818701,-0.4106606726,0.0067423512,0.0067423512,GGA,P-1,A51B3C17D11_aP164_2_51i_3i_17i_11i:H-Li-N-P,164.0,A51B3C17D11_aP164_2_51i_3i_17i_11i:H-Li-N-P +mp-557964,Li9S3N,-4.0911196462,-1.1737234673,0.0078990862,0.0078990862,GGA,Pm-3m,A9BC3_cP13_221_bg_a_c:Li-N-S,13.0,"Invalid WP multiplicities - A9BC3_cP13_221_b2g_a_c:Li-N-S, expected Li17S3N to be Li9S3N" +mp-1247242,Li6SN4,-5.0629733527,-0.6142491012,0.1082169791,0.1082169791,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Li-N-S,22.0,A6B4C_tP22_137_df_g_a:Li-N-S +mp-728720,SrV2P2(H4O7)2,-6.8100044356,-2.1033614384,0.031788408,0.031788408,GGA+U,Cc,A8B14C2DE2_mC108_9_8a_14a_2a_a_2a:H-O-P-Sr-V,54.0,A8B14C2DE2_mC108_9_8a_14a_2a_a_2a:H-O-P-Sr-V +mp-1204858,K2PH4Se3O2,-4.6172372727,-1.1517275697,0.0174678315,0.0174678315,GGA,Cmce,A4B2C2DE3_oC96_64_2g_ef_g_f_fg:H-K-O-P-Se,48.0,A4B2C2DE3_oC96_64_2g_ef_g_f_fg:H-K-O-P-Se +mp-1224278,K4PSe3O16,-5.6289859854,-1.4835838143,0.1464094791,0.1464094791,GGA,P1,A4B16CD3_aP24_1_4a_16a_a_3a:K-O-P-Se,24.0,A4B16CD3_aP24_1_4a_16a_a_3a:K-O-P-Se +mp-695043,K4PH5Se3O16,-5.7158363638,-1.7002059385,0.0,-0.0014346856,GGA,P1,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-K-O-P-Se,29.0,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-K-O-P-Se +mp-677734,K4PH5Se3O16,-5.7157553441,-1.7001249189,8.10197e-05,-0.001353666,GGA,P-1,A5B4C16DE3_aP58_2_5i_4i_16i_i_3i:H-K-O-P-Se,58.0,"Invalid WP multiplicities - A5B4C16DE3_aP58_2_9i_7i_31i_i_5i:H-K-O-P-Se, expected K7PH9Se5O31 to be K4PH5Se3O16" +mp-1211877,K2PH3SeO8,-5.935792474,-1.8770124938,0.0,-0.0018693131,GGA,Pc,A3B2C8DE_mP30_7_3a_2a_8a_a_a:H-K-O-P-Se,30.0,A3B2C8DE_mP30_7_3a_2a_8a_a_a:H-K-O-P-Se +mp-1194338,NaBOF2,-6.4049902587,-3.0506775166,0.0,-0.0226102142,GGA,C2/c,AB2CD_mC60_15_ef_3f_cf_ef:B-F-Na-O,30.0,AB2CD_mC60_15_ef_3f_af_ef:B-F-Na-O +mp-1197849,Na3B2PO5F4,-6.5983992797,-2.923797856,0.0,-0.0079360229,GGA,P2_1/c,A2B4C3D5E_mP60_14_2e_4e_3e_5e_e:B-F-Na-O-P,60.0,A2B4C3D5E_mP60_14_2e_4e_3e_5e_e:B-F-Na-O-P +mp-1221248,Na3B2PO5F4,-6.5970101907,-2.9224087670000003,0.001389089,-0.0065469339,GGA,Ama2,A2B4C3D5E_oC60_40_2b_2c_3a_3bc_b:B-F-Na-O-P,30.0,A2B4C3D5E_oC60_40_2b_2c_3a_3bc_b:B-F-Na-O-P +mp-722988,TeP4H26(NO5)4,-5.9035943874,-1.443828078,0.0339808376,0.0339808376,GGA,P2_1/c,A26B4C20D4E_mP110_14_13e_2e_10e_2e_a:H-N-O-P-Te,110.0,A26B4C20D4E_mP110_14_13e_2e_10e_2e_a:H-N-O-P-Te +mp-1217663,TeP6H34(N3O13)2,-5.9713333363,-1.4561459047,0.0370238038,0.0370238038,GGA,P-1,A34B6C26D6E_aP73_2_17i_3i_13i_3i_a:H-N-O-P-Te,73.0,A34B6C26D6E_aP73_2_17i_3i_13i_3i_a:H-N-O-P-Te +mp-707772,TeP2H16N2O13,-5.8061788396,-1.4169591124,0.045141768,0.045141768,GGA,P-1,A16B2C13D2E_aP68_2_16i_2i_13i_2i_i:H-N-O-P-Te,68.0,A16B2C13D2E_aP68_2_16i_2i_13i_2i_i:H-N-O-P-Te +mp-707206,TeP6H30(NO4)6,-6.0397519743,-1.4704325579,0.0391773642,0.0391773642,GGA,R-3,A30B6C24D6E_hR201_148_5f_f_4f_f_a:H-N-O-P-Te,67.0,A30B6C24D6E_hR201_148_5f_f_4f_f_a:H-N-O-P-Te +mp-1179537,TeP3(N2O9)2,-6.5687438946,-1.1160673594,0.3927916408,0.3927916408,GGA,Pc,A4B18C3D_mP52_7_4a_18a_3a_a:N-O-P-Te,52.0,A4B18C3D_mP52_7_4a_18a_3a_a:N-O-P-Te +mp-1232415,TeP3(N2O9)2,-6.2139701852,-0.76129365,0.7475653502,0.7475653502,GGA,P2/c,A4B18C3D_mP52_13_afg_9g_eg_d:N-O-P-Te,52.0,A4B18C3D_mP52_13_afg_9g_eg_d:N-O-P-Te +mp-729179,TeP2(N2O7)2,-6.6533009048,-1.1023707827,0.3046668902,0.3046668902,GGA,P-1,A4B14C2D_aP21_2_2i_7i_i_a:N-O-P-Te,21.0,A4B14C2D_aP21_2_2i_7i_i_a:N-O-P-Te +mp-1192371,TeP2(N2O7)2,-6.2801306310000005,-0.7292005088,0.677837164,0.677837164,GGA,P-1,A4B14C2D_aP21_2_2i_7i_i_a:N-O-P-Te,21.0,A4B14C2D_aP21_2_2i_7i_i_a:N-O-P-Te +mp-728959,CaV2P2(H4O7)2,-6.7951335048,-2.0767828622,0.0549976419,0.0549976419,GGA+U,P1,AB8C14D2E2_aP27_1_a_8a_14a_2a_2a:Ca-H-O-P-V,27.0,AB8C14D2E2_aP27_1_a_8a_14a_2a_2a:Ca-H-O-P-V +mp-1182089,CaV2P2(H4O7)2,-6.8200536037,-2.1017029611,0.030077543,0.030077543,GGA+U,P1,AB8C14D2E2_aP27_1_a_8a_14a_2a_2a:Ca-H-O-P-V,27.0,AB8C14D2E2_aP27_1_a_8a_14a_2a_2a:Ca-H-O-P-V +mp-735589,CaV2P3HO12,-7.9481123488,-2.7288328688,0.009918361,0.009918361,GGA+U,P2_1/c,ABC12D3E2_mP76_14_e_e_12e_3e_2e:Ca-H-O-P-V,76.0,ABC12D3E2_mP76_14_e_e_12e_3e_2e:Ca-H-O-P-V +mp-1200888,Ca2VP3H4O13,-7.2344718909,-2.5730427267,0.0054135401,0.0054135401,GGA+U,C2/c,A2B4C13D3E_mC92_15_f_2f_e6f_ef_c:Ca-H-O-P-V,46.0,A2B4C13D3E_mC92_15_f_2f_e6f_ef_a:Ca-H-O-P-V +mp-554058,K3NdH6(C2O5)3,-6.9348488795000005,-1.8371706806,0.0493690531,0.0493690531,GGA,P-1,A6B6C3DE15_aP62_2_6i_6i_3i_i_15i:C-H-K-Nd-O,62.0,"Invalid WP multiplicities - A6B6C3DE15_aP62_2_12i_11i_5i_i_30i:C-H-K-Nd-O, expected K5NdH11(C2O5)6 to be K3NdH6(C2O5)3" +mp-1201323,KNdH6C4O11,-6.9177518972000005,-1.8063110083,0.0348374795,0.0348374795,GGA,C2/c,A4B6CDE11_mC184_15_4f_6f_f_f_11f:C-H-K-Nd-O,92.0,A4B6CDE11_mC184_15_4f_6f_f_f_11f:C-H-K-Nd-O +mp-1019782,K2LiB(PO4)2,-7.1157317207,-2.7436440611,0.0,-0.0119015615,GGA,P2_1/c,AB2CD8E2_mP56_14_e_2e_e_8e_2e:B-K-Li-O-P,56.0,AB2CD8E2_mP56_14_e_2e_e_8e_2e:B-K-Li-O-P +mp-1019778,K2Li3B(P2O7)2,-7.1406693805,-2.7434272868000003,0.0,-0.0104244061,GGA,Cmce,AB2C3D14E4_oC192_64_d_ef_dg_ef6g_2g:B-K-Li-O-P,96.0,AB2C3D14E4_oC192_64_d_ef_dg_ef6g_2g:B-K-Li-O-P +mp-1201255,U2Ni(PO11)2,-6.6120367022,-1.1299362074,0.7345424698,0.7345424698,GGA+U,P2_1/c,AB22C2D2_mP54_14_a_11e_e_e:Ni-O-P-U,54.0,AB22C2D2_mP54_14_a_11e_e_e:Ni-O-P-U +mp-22639,U(NiP)2,-7.494106628,-0.7584489513,0.0,-0.0092245699,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Ni-P-U,5.0,A2B2C_tI10_139_d_e_a:Ni-P-U +mp-1216793,UNiP2,-7.7759095042,-0.8013715783,0.0,-0.0272322523,GGA,Pmm2,AB2C_oP12_25_2ad_a2b2cd_2bc:Ni-P-U,12.0,AB2C_oP12_25_2ad_a2b2cd_2bc:Ni-P-U +mp-1198611,U2NiP2(HO)24,-6.3476107645,-1.8318463143,0.0,-0.0056761336,GGA+U,P-1,A24BC24D2E2_aP53_2_12i_a_12i_i_i:H-Ni-O-P-U,53.0,A24BC24D2E2_aP53_2_12i_a_12i_i_i:H-Ni-O-P-U +mp-504856,U2Ni12P7,-6.8344210114,-0.6516792149,0.0,-0.0402165676,GGA,P-6,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-U,21.0,A12B7C2_hP21_174_2j2k_ajk_cf:Ni-P-U +mp-20048,U(Ni2P)2,-7.1412100636,-0.6785583860000001,0.0,-0.0719955264,GGA,P4_2/mnm,A4B2C_tP14_136_i_f_a:Ni-P-U,14.0,A4B2C_tP14_136_i_f_a:Ni-P-U +mp-1191673,Na2BSO4F3,-6.163338055,-2.6195122394,0.0,-0.0087740214,GGA,P-1,AB3C2D4E_aP22_2_i_3i_2i_4i_i:B-F-Na-O-S,22.0,AB3C2D4E_aP22_2_i_3i_2i_4i_i:B-F-Na-O-S +mp-27349,BSF7,-5.2138810511,-2.5254150055,0.0,-0.0324306264,GGA,Pnma,AB7C_oP36_62_c_3c2d_c:B-F-S,36.0,"Invalid WP multiplicities - AB7C_oP36_62_c_3c3d_c:B-F-S, expected BSF9 to be BSF7" +mp-1209027,Sr2V2OF10,-6.5611942795,-3.5206424506,0.0,-0.0601090188,GGA+U,Cmce,A10BC2D2_oC120_64_4f3g_f_ef_ef:F-O-Sr-V,60.0,A10BC2D2_oC120_64_4f3g_f_ef_ef:F-O-Sr-V +mp-1198080,Sr5V3H6(O3F8)2,-6.2671082006,-3.0360154925,0.0163323042,0.0163323042,GGA+U,P2_1/c,A16B6C6D5E3_mP144_14_16e_6e_6e_5e_3e:F-H-O-Sr-V,144.0,A16B6C6D5E3_mP144_14_16e_6e_6e_5e_3e:F-H-O-Sr-V +mp-40674,Sr5V3O12F,-7.7637184436,-3.1460551588,0.0,-0.0401614752,GGA+U,P6_3/m,AB12C5D3_hP42_176_a_2hi_fh_h:F-O-Sr-V,42.0,AB12C5D3_hP42_176_a_2hi_fh_h:F-O-Sr-V +mp-1195480,BeH12S2(NO5)2,-5.8114747639,-1.4090709824,0.0,-0.001864143,GGA,P2_1/c,AB12C2D10E2_mP108_14_e_12e_2e_10e_2e:Be-H-N-O-S,108.0,AB12C2D10E2_mP108_14_e_12e_2e_10e_2e:Be-H-N-O-S +mp-1101187,V3Ni2P6WO24,-8.1273214206,-2.4892529231,0.0211839355,0.0211839355,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Ni-O-P-V-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Ni-O-P-V-W, expected V3Ni2P6WO60 to be V3Ni2P6WO24" +mp-773431,K2NiPCO7,-6.8635834692,-2.0911065065,0.0235430621,0.0235430621,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-Ni-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-K-Ni-O-P, expected K2NiPCO13 to be K2NiPCO7" +mp-572621,Ni2P2(C2O3)3,-7.4268539829,-0.9911134708,0.5779741054,0.5779741054,GGA+U,P-43m,A6B2C9D2_cP38_215_i_e_fi_e:C-Ni-O-P,38.0,A6B2C9D2_cP38_215_i_e_fi_e:C-Ni-O-P +mp-1180466,NiPC5O2,-7.1878336178,0.2821823902,1.1291408535,1.1291408535,GGA+U,P2_1/c,A5BC2D_mP36_14_5e_e_2e_e:C-Ni-O-P,36.0,A5BC2D_mP36_14_5e_e_2e_e:C-Ni-O-P +mp-1197452,NiPC5O2,-6.4618150636,1.0082009444,1.8551594076,1.8551594076,GGA+U,P2_1/c,A5BC2D_mP36_14_5e_e_2e_e:C-Ni-O-P,36.0,A5BC2D_mP36_14_5e_e_2e_e:C-Ni-O-P +mp-754510,K3NiPCO7,-6.72301405,-2.2322353962,0.0,-0.0052781919,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-K-Ni-O-P,26.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-K-Ni-O-P +mp-779079,Ti3V2P6WO24,-8.5296477131,-2.8070709761,0.0322637595,0.0322637595,GGA+U,R3,A24B6C3D2E_hR108_146_8b_2b_3a_2a_a:O-P-Ti-V-W,36.0,"Invalid WP multiplicities - A24B6C3D2E_hR108_146_20b_2b_3a_2a_a:O-P-Ti-V-W, expected Ti3V2P6WO60 to be Ti3V2P6WO24" +mp-1197470,CrB6H36(C4O)2,-5.0220827942,-0.1996254909,0.2156571664,0.2156571664,GGA+U,P2_1/c,A6B8CD36E2_mP106_14_3e_4e_a_18e_e:B-C-Cr-H-O,106.0,A6B8CD36E2_mP106_14_3e_4e_a_18e_e:B-C-Cr-H-O +mp-1201768,CrB6H32(C4O)2,-5.1238646939,-0.1846946347,0.2486268932,0.2486268932,GGA+U,P2_1/c,A6B8CD32E2_mP98_14_3e_4e_a_16e_e:B-C-Cr-H-O,98.0,A6B8CD32E2_mP98_14_3e_4e_a_16e_e:B-C-Cr-H-O +mp-1197713,K2H2Se(IO5)2,-5.1359000018,-1.3173246327,0.0,-0.0101191229,GGA,C2/c,A2B2C2D10E_mC68_15_f_f_f_5f_e:H-I-K-O-Se,34.0,A2B2C2D10E_mC68_15_f_f_f_5f_e:H-I-K-O-Se +mp-649470,K3Nd2(NO3)9,-6.871771998,-1.4703929435,0.0,-0.0270339451,GGA,P4_332,A3B9C2D27_cP164_212_d_de_c_d4e:K-N-Nd-O,164.0,"Invalid WP multiplicities - A3B9C2D27_cP164_212_d_6d7e_c_12d69e:K-N-Nd-O, expected K3Nd2(N2O15)30 to be K3Nd2(NO3)9" +mp-1198580,K2NdH4N5O17,-6.4686188321,-1.4225487554,0.0051757685,0.0051757685,GGA,Fdd2,A4B2C5DE17_oF232_43_2b_b_a2b_a_a8b:H-K-N-Nd-O,58.0,A4B2C5DE17_oF232_43_2b_b_a2b_a_a8b:H-K-N-Nd-O +mp-1195884,K2NdN5O17,-6.4894344268,-1.1788293051,0.1696381778,0.1696381778,GGA,Fdd2,A2B5CD17_oF200_43_b_a2b_a_a8b:K-N-Nd-O,50.0,A2B5CD17_oF200_43_b_a2b_a_a8b:K-N-Nd-O +mp-1077787,PbCI3N,-4.0101467,0.2728377229,0.8073148254,0.8073148254,GGA,P4mm,AB3CD_tP6_99_a_bc_a_b:C-I-N-Pb,6.0,AB3CD_tP6_99_a_bc_a_b:C-I-N-Pb +mp-1220224,PbCI3N2,-4.7392576414,0.1227997104,0.6298271636,0.6298271636,GGA,Cc,AB3C2D_mC28_9_a_3a_2a_a:C-I-N-Pb,14.0,"Invalid WP multiplicities - AB3C2D_mC28_9_a_6a_4a_a:C-I-N-Pb, expected PbC(I3N2)2 to be PbCI3N2" +mp-1181111,K3YbB2(PO7)2,-6.6242598191,-2.1556309267,0.2496269434,0.2496269434,GGA,R-3,A2B3C14D2E_hR66_148_c_ac_c2f_c_b:B-K-O-P-Yb,,A2B3C14D2E_hR66_148_c_ac_c2f_c_b:B-K-O-P-Yb +mp-1224661,Ge3P6H42N12O25,-5.9655330086,-1.2774813112,0.0460161313,0.0460161313,GGA,C2/m,A3B42C12D25E6_mC176_12_ag_3i9j_2i2j_c2i5j_ij:Ge-H-N-O-P,88.0,"Invalid WP multiplicities - A3B42C12D25E6_mC176_12_ag_6i27j_4i5j_d4i16j_2i3j:Ge-H-N-O-P, expected Ge3P16H120N28O73 to be Ge3P6H42N12O25" +mp-554329,RbVH6SO9,-6.1128743114,-1.7196829402,0.0241986058,0.0241986058,GGA+U,P2_1,A6B9CDE_mP36_4_6a_9a_a_a_a:H-O-Rb-S-V,36.0,"Invalid WP multiplicities - A6B9CDE_mP36_4_12a_17a_a_a_a:H-O-Rb-S-V, expected RbVH12SO17 to be RbVH6SO9" +mp-729050,RbVH24(SO10)2,-5.6316661757,-1.4921549428,0.0070200498,0.0070200498,GGA+U,Pa-3,A24B20CD2E_cP192_205_4d_c3d_a_c_b:H-O-Rb-S-V,192.0,A24B20CD2E_cP192_205_4d_c3d_a_c_b:H-O-Rb-S-V +mp-642398,RbVSO6,-7.0785219103,-2.2028527684,0.0028563033,0.0028563033,GGA+U,P2_12_12_1,A6BCD_oP36_19_6a_a_a_a:O-Rb-S-V,36.0,"Invalid WP multiplicities - A6BCD_oP36_19_20a_a_a_a:O-Rb-S-V, expected RbVSO20 to be RbVSO6" +mp-1196029,Rb3V(SO5)2,-6.5928004663,-2.2324695204,0.0038359179,0.0038359179,GGA+U,P2/c,A10B3C2D_mP64_13_10g_ef2g_2g_g:O-Rb-S-V,64.0,A10B3C2D_mP64_13_10g_ef2g_2g_g:O-Rb-S-V +mp-1198857,Rb4V2S4O19,-6.7585808898,-2.1853797377,0.0,-0.0152795128,GGA+U,P-1,A19B4C4D2_aP58_2_19i_4i_4i_2i:O-Rb-S-V,58.0,A19B4C4D2_aP58_2_19i_4i_4i_2i:O-Rb-S-V +mp-1182633,MgV5H20NO22,-6.2083584138,-1.4728894776,0.2326183439,0.2326183439,GGA+U,P-1,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V,98.0,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V +mp-1204069,MgV5H20NO22,-6.3934085953,-1.6579396591000002,0.0475681623,0.0475681623,GGA+U,P-1,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V,98.0,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V +mp-1238596,MgV5H20NO22,-6.1642771492,-1.428808213,0.2766996085,0.2766996085,GGA+U,P-1,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V,98.0,A20BCD22E5_aP98_2_20i_i_i_22i_5i:H-Mg-N-O-V +mp-1210967,MnVO2F5,-6.3914904439,-2.2029689303,0.3287867263,0.3287867263,GGA+U,Imma,A5BC2D_oI36_74_ej_a_h_c:F-Mn-O-V,18.0,A5BC2D_oI36_74_ej_a_h_c:F-Mn-O-V +mp-505254,MnVH4O2F5,-6.2093119781,-2.2656506087,0.0107472131,0.0107472131,GGA+U,Imma,A5B4CD2E_oI52_74_ej_j_a_h_c:F-H-Mn-O-V,26.0,A5B4CD2E_oI52_74_ej_j_a_h_c:F-H-Mn-O-V +mp-1190477,KLi(C2N3)2,-7.7734276492,-0.2773482047,0.0881857127,0.0881857127,GGA,I4/mcm,A4BCD6_tI48_140_l_a_b_hl:C-K-Li-N,24.0,A4BCD6_tI48_140_l_a_b_hl:C-K-Li-N +mp-1188861,LiCSN,-6.4868556294,-0.5842223416,0.0407613516,0.0407613516,GGA,Pnma,ABCD_oP16_62_c_c_c_c:C-Li-N-S,16.0,ABCD_oP16_62_c_c_c_c:C-Li-N-S +mp-1195085,K2LiC3(SN)3,-6.4195804515,-0.6500344836,0.0071241217,0.0071241217,GGA,Pna2_1,A3B2CD3E3_oP48_33_3a_2a_a_3a_3a:C-K-Li-N-S,48.0,A3B2CD3E3_oP48_33_3a_2a_a_3a_3a:C-K-Li-N-S +mp-1222906,Lu9B5S21,-6.3130682497,-1.7144693715,0.0582512384,0.0582512384,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:B-Lu-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:B-Lu-S, expected Lu24B5S51 to be Lu9B5S21" +mp-2647154,LuB3H18C2S,-4.5862488445,-0.2573698247,0.1436260021,0.1436260021,GGA,P2_1/c,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-Lu-S,100.0,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-Lu-S +mp-2647094,LuBH4,-4.3687627394,-0.240221661,0.3400165083,0.3400165083,GGA,Imm2,AB4C_oI36_44_ac_3cde_ac:B-H-Lu,18.0,"Invalid WP multiplicities - AB4C_oI36_44_ac_3cd2e_ac:B-H-Lu, expected Lu3B3H16 to be LuBH4" +mp-2646940,Lu(BH4)3,-4.4948904024,-0.4154005041,0.0033349086,-0.1104793622,GGA,Pa-3,A3B12C_cP128_205_d_4d_c:B-H-Lu,128.0,A3B12C_cP128_205_d_4d_c:B-H-Lu +mp-2646923,Lu(BH4)3,-4.498225311,-0.4187354127,0.0,-0.1138142708,GGA,Fm-3c,A3B12C_cF128_226_c_i_b:B-H-Lu,128.0,A3B12C_cF128_226_c_i_b:B-H-Lu +mp-1179461,W3C7NCl6O7,-6.9347231491,-0.3709904407,0.9083913352,0.9083913352,GGA+U,Pnma,A7B6CD7E3_oP96_62_3c2d_2c2d_c_c3d_cd:C-Cl-N-O-W,96.0,A7B6CD7E3_oP96_62_3c2d_2c2d_c_c3d_cd:C-Cl-N-O-W +mp-25399,Li2PWO4F,-7.1703327828,-2.2939425292,0.2876616953,0.2876616953,GGA+U,P1,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-W,18.0,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-W +mp-1173010,Li2PWO4F,-7.0750552083,-2.1986649547,0.3829392697,0.3829392697,GGA+U,P1,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-W,18.0,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-W +mp-759647,LiWF6,-6.2025062156,-2.9105153529,0.0,-0.0678378941,GGA+U,P2_1/c,A6BC_mP32_14_6e_e_e:F-Li-W,32.0,"Invalid WP multiplicities - A6BC_mP32_14_21e_e_e:F-Li-W, expected LiWF21 to be LiWF6" +mp-772400,Li2W(OF2)2,-6.5984547525,-2.7856470574000003,0.0034376092,0.0034376092,GGA+U,Pbcn,A4B2C2D_oP36_60_2d_2c_d_c:F-Li-O-W,36.0,"Invalid WP multiplicities - A4B2C2D_oP36_60_5d_5c_d_c:F-Li-O-W, expected Li5W(OF5)2 to be Li2W(OF2)2" +mp-25416,LiPWO4F,-7.7674696906,-2.5201460136,0.054531213,0.054531213,GGA+U,P-1,ABC4DE_aP16_2_i_i_4i_i_ab:F-Li-O-P-W,16.0,"Invalid WP multiplicities - ABC4DE_aP16_2_i_i_6i_i_ab:F-Li-O-P-W, expected LiPWO6F to be LiPWO4F" +mp-817963,PWO4F,-1.6106174064,4.113620672,6.6588889607,6.6153100099,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-W,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-W, expected PWO8F to be PWO4F" +mp-25432,PWO4F,-8.2695063671,-2.5452682887,0.0,-0.0435789508,GGA+U,P-1,AB4CD_aP14_2_i_4i_i_be:F-O-P-W,14.0,"Invalid WP multiplicities - AB4CD_aP14_2_i_8i_i_be:F-O-P-W, expected PWO8F to be PWO4F" +mp-1222570,LiW3O9F,-8.5361344707,-2.3064922618,0.024483961,0.024483961,GGA+U,Cc,ABC9D3_mC56_9_a_a_9a_3a:F-Li-O-W,28.0,"Invalid WP multiplicities - ABC9D3_mC56_9_a_a_17a_5a:F-Li-O-W, expected LiW5O17F to be LiW3O9F" +mp-1204704,Na3VP3NO9,-7.2895371278,-2.4572969633,0.0315401106,0.0315401106,GGA+U,P2_13,AB3C9D3E_cP68_198_a_3a_3b_b_a:N-Na-O-P-V,68.0,AB3C9D3E_cP68_198_a_3a_3b_b_a:N-Na-O-P-V +mp-758217,Li3V2H4(OF5)2,-5.7451941257,-2.5797821249,0.0612766619,0.0612766619,GGA+U,Pc,A10B4C3D2E2_mP42_7_10a_4a_3a_2a_2a:F-H-Li-O-V,42.0,A10B4C3D2E2_mP42_7_20a_8a_6a_4a_4a:F-H-Li-O-V +mp-861531,Li2VH2OF5,-5.7331997841,-2.6249009257,0.0675088348,0.0675088348,GGA+U,P1,A5B2C2DE_aP22_1_10a_4a_4a_2a_2a:F-H-Li-O-V,22.0,A5B2C2DE_aP22_1_10a_4a_4a_2a_2a:F-H-Li-O-V +mp-770536,Li2VH2OF5,-5.7384495411,-2.6301506828,0.0622590777,0.0622590777,GGA+U,C2/c,A5B2C2DE_mC44_15_e2f_f_f_e_e:F-H-Li-O-V,44.0,A5B2C2DE_mC44_15_e2f_f_f_e_e:F-H-Li-O-V +mp-753201,LiV2H4(OF5)2,-5.72376286,-2.426088845,0.0313242408,0.0313242408,GGA+U,P1,A10B4CD2E2_aP19_1_10a_4a_a_2a_2a:F-H-Li-O-V,19.0,A10B4CD2E2_aP19_1_10a_4a_a_2a_2a:F-H-Li-O-V +mp-752723,LiVH2OF5,-5.759983899,-2.5317474415,0.0315344672,0.0315344672,GGA+U,C2,A5B2CDE_mC40_5_ab4c_2c_c_ab_ab:F-H-Li-O-V,20.0,"Invalid WP multiplicities - A5B2CDE_mC40_5_ab8c_2c_c_ab_ab:F-H-Li-O-V, expected LiVH2OF9 to be LiVH2OF5" +mp-759772,Sr2VCO3F5,-7.1208709958,-3.2801193758,0.0,-0.0096555568,GGA+U,P2_1/c,AB5C3D2E_mP48_14_e_5e_3e_2e_e:C-F-O-Sr-V,48.0,"Invalid WP multiplicities - AB5C3D2E_mP48_14_e_17e_11e_5e_e:C-F-O-Sr-V, expected Sr5VCO11F17 to be Sr2VCO3F5" +mp-631397,FeBN3O3F4,-6.5728638542,-1.3524572075,0.4334136577,0.4334136577,GGA+U,P2_1/c,AB4CD3E3_mP48_14_e_4e_e_3e_3e:B-F-Fe-N-O,48.0,"Invalid WP multiplicities - AB4CD3E3_mP48_14_e_15e_e_11e_10e:B-F-Fe-N-O, expected FeBN11(O2F3)5 to be FeBN3O3F4" +mp-555207,BN(OF2)2,-6.1697048084,-2.1003073099,0.0,-0.2006162527,GGA,P2_1/c,AB4CD2_mP32_14_e_4e_e_2e:B-F-N-O,32.0,"Invalid WP multiplicities - AB4CD2_mP32_14_e_14e_e_4e:B-F-N-O, expected BN(O2F7)2 to be BN(OF2)2" +mp-1097708,Fe65(BN)6,-8.3841742134,-0.0640872156,0.1636603214,0.1636603214,GGA,Pm,A6B65C6_mP77_6_6a_5b30c_6a:B-Fe-N,77.0,"Invalid WP multiplicities - A6B65C6_mP77_6_6a_5b60c_6a:B-Fe-N, expected Fe125(BN)6 to be Fe65(BN)6" +mp-1195006,K2Mn3V2CO11,-8.1464679976,-2.2771576173,0.0,-0.0265521411,GGA+U,P6_3/m,AB2C3D11E2_hP38_176_c_f_af_ehi_e:C-K-Mn-O-V,38.0,AB2C3D11E2_hP38_176_c_f_af_ehi_e:C-K-Mn-O-V +mp-728301,K2Mn(C2O5)2,-7.2761894809,-1.5253446416,0.4393263849,0.4393263849,GGA+U,Cmc2_1,A4B2CD10_oC68_36_4a_b_a_8ab:C-K-Mn-O,34.0,A4B2CD10_oC68_36_4a_b_a_8ab:C-K-Mn-O +mp-558327,Li2V2(SO4)3,-7.0791765384,-2.1446885379,0.0507064535,0.0507064535,GGA+U,C2/c,A2B12C3D2_mC76_15_f_6f_ef_f:Li-O-S-V,38.0,"Invalid WP multiplicities - A2B12C3D2_mC76_15_f_23f_2ef_f:Li-O-S-V, expected LiVS2O23 to be Li2V2(SO4)3" +mp-770191,Li2V2(SO4)3,-7.0854458525,-2.150957852,0.0444371395,0.0444371395,GGA+U,Pbcn,A2B12C3D2_oP76_60_d_6d_cd_d:Li-O-S-V,76.0,"Invalid WP multiplicities - A2B12C3D2_oP76_60_d_21d_2c2d_d:Li-O-S-V, expected LiV(SO7)3 to be Li2V2(SO4)3" +mp-831186,Li2V2(SO4)3,-7.0787740212,-2.1442860207,0.0511089708,0.0511089708,GGA+U,Pbca,A2B12C3D2_oP152_61_2c_12c_3c_2c:Li-O-S-V,152.0,"Invalid WP multiplicities - A2B12C3D2_oP152_61_5c_45c_9c_5c:Li-O-S-V, expected Li5V5(SO5)9 to be Li2V2(SO4)3" +mp-771941,LiV(SO4)2,-7.0427012056,-2.1394313422,0.0145869947,0.0145869947,GGA+U,P1,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-S-V,36.0,AB8C2D_aP36_1_3a_24a_6a_3a:Li-O-S-V +mp-1176627,LiV(SO4)2,-7.0383240597,-2.1350541963,0.0189641405,0.0189641405,GGA+U,P1,AB8C2D_aP96_1_8a_64a_16a_8a:Li-O-S-V,96.0,AB8C2D_aP96_1_8a_64a_16a_8a:Li-O-S-V +mp-772425,Li3V(SO4)3,-6.6903341821,-2.1334768765,0.0787937255,0.0787937255,GGA+U,R-3,A3B12C3D_hR114_148_f_4f_f_ab:Li-O-S-V,38.0,"Invalid WP multiplicities - A3B12C3D_hR114_148_f_17f_f_ab:Li-O-S-V, expected Li3V(SO17)3 to be Li3V(SO4)3" +mp-759347,Li2V(SO4)2,-6.8649414221,-2.1920059431,0.0348181429,0.0348181429,GGA+U,Pbca,A2B8C2D_oP104_61_2c_8c_2c_c:Li-O-S-V,104.0,"Invalid WP multiplicities - A2B8C2D_oP104_61_5c_29c_5c_c:Li-O-S-V, expected Li5VS5O29 to be Li2V(SO4)2" +mp-1176597,LiV2(SO4)3,-7.2227912382,-2.1202162858,0.0248954787,0.0248954787,GGA+U,P2_1/c,AB12C3D2_mP72_14_e_12e_3e_2e:Li-O-S-V,72.0,"Invalid WP multiplicities - AB12C3D2_mP72_14_e_45e_9e_7e:Li-O-S-V, expected LiV7(SO5)9 to be LiV2(SO4)3" +mp-770367,LiV2(SO4)3,-7.2020018692,-2.0994269168,0.0456848478,0.0456848478,GGA+U,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Li-O-S-V,36.0,"Invalid WP multiplicities - AB12C3D2_hR108_167_b_9f_e_c:Li-O-S-V, expected LiV2(SO18)3 to be LiV2(SO4)3" +mp-772428,LiV(SO4)3,-6.7772289544,-1.9088499502,0.0242885148,0.0242885148,GGA+U,P1,AB12C3D_aP34_1_2a_24a_6a_2a:Li-O-S-V,34.0,AB12C3D_aP34_1_2a_24a_6a_2a:Li-O-S-V +mp-761173,LiV(SO4)3,-6.7646967921000005,-1.8963177878,0.0368206772,0.0368206772,GGA+U,P-1,AB12C3D_aP34_2_i_12i_3i_be:Li-O-S-V,34.0,"Invalid WP multiplicities - AB12C3D_aP34_2_i_23i_5i_be:Li-O-S-V, expected LiVS5O23 to be LiV(SO4)3" +mp-772590,Li6V2B4SO16,-7.3282800955,-2.5137150724,0.0833402192,0.0833402192,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Li-O-S-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:B-Li-O-S-V, expected Li6V2B4SO108 to be Li6V2B4SO16" +mp-1211875,KUSiHO6,-8.081444244,-2.991445714,0.0124560964,0.0124560964,GGA,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:H-K-O-Si-U,20.0,ABC6DE_mP20_4_a_a_6a_a_a:H-K-O-Si-U +mp-1191299,XeNO3F,-4.7318968262,-0.5445277935,0.0279764734,0.0279764734,GGA,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-N-O-Xe,24.0,ABC3D_mP24_14_e_e_3e_e:F-N-O-Xe +mp-556244,Xe2NO2F13,-3.2385095364,-0.8412069106000001,0.0,-0.068001559,GGA,C2/m,A13BC2D2_mC72_12_5i4j_i_2i_2i:F-N-O-Xe,36.0,"Invalid WP multiplicities - A13BC2D2_mC72_12_9i13j_i_3i_3i:F-N-O-Xe, expected Xe3NO3F35 to be Xe2NO2F13" +mp-1199969,XeNO2F5,-3.6834406806,-0.5919471967000001,0.214274818,0.214274818,GGA,P2_1/c,A5BC2D_mP36_14_5e_e_2e_e:F-N-O-Xe,36.0,A5BC2D_mP36_14_5e_e_2e_e:F-N-O-Xe +mp-1204146,HXeNO3F2,-4.6568508744,-0.8532984733000001,0.0074949491,0.0074949491,GGA,Pnma,A2BCD3E_oP32_62_2c_c_c_3c_c:F-H-N-O-Xe,32.0,A2BCD3E_oP32_62_2c_c_c_3c_c:F-H-N-O-Xe +mp-23568,XeN2(OF4)2,-4.0443841471,-0.8217400562,0.0,-0.0092816752,GGA,Pnma,A8B2C2D_oP52_62_2c3d_2c_2c_c:F-N-O-Xe,52.0,"Invalid WP multiplicities - A8B2C2D_oP52_62_2c8d_5c_4c_c:F-N-O-Xe, expected XeN5(O2F9)2 to be XeN2(OF4)2" +mp-1208161,U6TlF25,-7.5299949602,-3.8456800416,0.0072811424,0.0072811424,GGA,P6_3/mmc,A25BC6_hP64_194_efhi2k_c_k:F-Tl-U,64.0,A25BC6_hP64_194_efhi2k_c_k:F-Tl-U +mp-27382,UTlF5,-6.7660421998,-3.4501210578,0.0,-0.0415095551,GGA,P2_1/c,A5BC_mP56_14_10e_2e_2e:F-Tl-U,56.0,A5BC_mP56_14_10e_2e_2e:F-Tl-U +mp-1208070,U3TlF13,-7.3411592732,-3.7478592877,0.0055766887,0.0055766887,GGA,Pmc2_1,A13BC3_oP34_26_2a3b4c_a_bc:F-Tl-U,34.0,A13BC3_oP34_26_2a3b4c_a_bc:F-Tl-U +mp-1189325,UTlB5O11F,-8.2358028542,-2.794957233,0.0524994304,0.0524994304,GGA,P1,A5BC11DE_aP19_1_5a_a_11a_a_a:B-F-O-Tl-U,19.0,A5BC11DE_aP19_1_5a_a_11a_a_a:B-F-O-Tl-U +mp-643257,K2H4Pd,-3.3860712457,-0.3901306909,0.0,-0.076028801,GGA,I4/mmm,A4B2C_tI14_139_h_d_a:H-K-Pd,7.0,A4B2C_tI14_139_h_d_a:H-K-Pd +mp-642736,K3H5Pd,-3.1877467278,-0.3572235193,0.00797706,0.00797706,GGA,P4/mbm,A5B3C_tP18_127_ak_bg_c:H-K-Pd,18.0,A5B3C_tP18_127_ak_bg_c:H-K-Pd +mp-707337,K3H3Pd,-2.8910052066,-0.22111138,0.0714866381,0.0714866381,GGA,P4_2/mnm,A3B3C_tP56_136_efij_fgk_abc:H-K-Pd,56.0,A3B3C_tP56_136_efij_fgk_abc:H-K-Pd +mp-1192109,K2H4Pd(N2O5)2,-6.0618699429,-1.119753243,0.0565264746,0.0565264746,GGA,P-1,A4B2C4D10E_aP21_2_2i_i_2i_5i_a:H-K-N-O-Pd,21.0,A4B2C4D10E_aP21_2_2i_i_2i_5i_a:H-K-N-O-Pd +mp-556374,K2U3(IO5)4,-7.0361637586,-2.1767752224,0.0,-0.0047632381,GGA,P-1,A4B2C20D3_aP29_2_2i_i_10i_ai:I-K-O-U,29.0,"Invalid WP multiplicities - A4B2C20D3_aP29_2_2i_i_19i_ai:I-K-O-U, expected K2U3(I2O19)2 to be K2U3(IO5)4" +mp-554888,KUI3O11,-6.1509381065,-1.6987203671,0.0,-0.0083792014,GGA,Pbca,A3BC11D_oP128_61_3c_c_11c_c:I-K-O-U,128.0,"Invalid WP multiplicities - A3BC11D_oP128_61_15c_c_86c_c:I-K-O-U, expected KUI15O86 to be KUI3O11" +mp-553996,K2UCr(IO6)2,-6.7000398238,-1.9515813455,0.0,-0.0113733674,GGA+U,P2_1/c,AB2C2D12E_mP72_14_e_2e_2e_12e_e:Cr-I-K-O-U,72.0,"Invalid WP multiplicities - AB2C2D12E_mP72_14_e_4e_6e_42e_e:Cr-I-K-O-U, expected K6UCr(I2O21)2 to be K2UCr(IO6)2" +mp-1225339,K3U2I7O26,-5.8940165309,-1.5560826414,0.0606407224,0.0606407224,GGA,P-1,A7B3C26D2_aP76_2_7i_3i_26i_2i:I-K-O-U,76.0,A7B3C26D2_aP76_2_7i_3i_26i_2i:I-K-O-U +mp-616641,K2UI5,-3.9653046638,-1.355424707,0.0874047231,0.0874047231,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:I-K-U,32.0,"Invalid WP multiplicities - A5B2C_oP32_62_11c7d_d_c:I-K-U, expected K2UI25 to be K2UI5" +mp-557449,KCrIO6,-6.1408060839,-1.4833677467,0.0022878945,0.0022878945,GGA+U,P2_1/c,ABCD6_mP36_14_e_e_e_6e:Cr-I-K-O,36.0,"Invalid WP multiplicities - ABCD6_mP36_14_e_e_e_22e:Cr-I-K-O, expected KCrIO22 to be KCrIO6" +mp-1096948,EuH6CI3N,-5.1731900165,-0.7899718883,0.0343045684,0.0343045684,GGA,Cc,ABC6D3E_mC96_9_2a_2a_12a_6a_2a:C-Eu-H-I-N,48.0,"Invalid WP multiplicities - ABC6D3E_mC96_9_3a_2a_24a_9a_3a:C-Eu-H-I-N, expected Eu2H24C3(I3N)3 to be EuH6CI3N" +mp-1225759,DyP3H5O6,-6.324870505,-1.8255067148,0.102177983,0.102177983,GGA,C2,AB5C6D3_mC60_5_ab_5c_6c_3c:Dy-H-O-P,30.0,"Invalid WP multiplicities - AB5C6D3_mC60_5_ab_5c_8c_3c:Dy-H-O-P, expected DyP3H5O8 to be DyP3H5O6" +mp-1226255,DyP2(HO2)5,-6.7880202467,-2.2400252916,0.0,-0.0216416134,GGA,P1,AB5C10D2_aP36_1_2a_10a_20a_4a:Dy-H-O-P,36.0,AB5C10D2_aP36_1_2a_10a_20a_4a:Dy-H-O-P +mp-543036,KDy(PO3)4,-7.7407720467,-2.9224020273,0.0078596665,0.0078596665,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Dy-K-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Dy-K-O-P +mp-6479,KDy(PO3)4,-7.7401760689,-2.9218060495,0.0084556443,0.0084556443,GGA,C2/c,ABC12D4_mC72_15_e_e_6f_2f:Dy-K-O-P,36.0,ABC12D4_mC72_15_e_e_6f_2f:Dy-K-O-P +mp-1197219,KDyP2H4O9,-6.8355408741,-2.4452530281,0.0501459207,0.0501459207,GGA,P2_1/c,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Dy-H-K-O-P,68.0,AB4CD9E2_mP68_14_e_4e_e_9e_2e:Dy-H-K-O-P +mp-707992,DyP2H9O10,-5.9154126806,-1.5774666183,0.4196862536,0.4196862536,GGA,Pnna,AB9C10D2_oP88_52_d_c4e_5e_e:Dy-H-O-P,88.0,AB9C10D2_oP88_52_d_c4e_5e_e:Dy-H-O-P +mp-1198016,DyP3(HO)6,-6.2437239797,-1.8135250486,0.0,-0.0178870026,GGA,C2/m,AB6C6D3_mC64_12_ac_4ij_2i2j_3i:Dy-H-O-P,32.0,AB6C6D3_mC64_12_ad_4ij_2i2j_3i:Dy-H-O-P +mp-1516583,KSrYWO6,-8.132529014,-2.9420664129,0.0108174841,0.0108174841,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sr-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sr-W-Y +mp-1208165,YZr6(PO4)9,-8.711945011000001,-3.2397682598,0.0069629684,0.0069629684,GGA,P-3c1,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Y-Zr,104.0,A36B9CD6_hP104_165_6g_fg_b_c2d:O-P-Y-Zr +mp-532727,K2YZr(PO4)3,-8.063229765,-3.1771696759,0.0,-0.0112120855,GGA,P2_13,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Y-Zr,76.0,"Invalid WP multiplicities - A2B12C3DE_cP76_198_5a_37b_b_a_a:K-O-P-Y-Zr, expected K5YZr(PO37)3 to be K2YZr(PO4)3" +mp-1198868,UZn4P2(H2O5)3,-6.4857754817,-2.1388584673,0.0200517379,0.0200517379,GGA,Pbcn,A6B15C2DE4_oP112_60_3d_c7d_d_c_2d:H-O-P-U-Zn,112.0,A6B15C2DE4_oP112_60_3d_c7d_d_c_2d:H-O-P-U-Zn +mp-1211618,KSm(SO4)2,-7.0260586792,-2.553109137,0.0,-0.0303355803,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:K-O-S-Sm,48.0,AB8C2D_mP48_14_e_8e_2e_e:K-O-S-Sm +mp-1211703,KSmS2O9,-6.7244600479,-2.2150690312,0.1416470953,0.1416470953,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:K-O-S-Sm,52.0,AB9C2D_mP52_14_e_9e_2e_e:K-O-S-Sm +mp-1203240,KSmH2S2O9,-6.650768597,-2.2902662432,0.0086318705,0.0086318705,GGA,P2_1/c,A2BC9D2E_mP60_14_2e_e_9e_2e_e:H-K-O-S-Sm,60.0,A2BC9D2E_mP60_14_2e_e_9e_2e_e:H-K-O-S-Sm +mp-1202397,K3Be2H7C3O13,-6.4388830744,-1.9191668383,0.0161659484,0.0161659484,GGA,P-1,A2B3C7D3E13_aP112_2_4i_6i_14i_6i_26i:Be-C-H-K-O,112.0,A2B3C7D3E13_aP112_2_4i_6i_14i_6i_26i:Be-C-H-K-O +mp-1202946,YbP2(HO3)3,-6.4650612125,-1.9940885572,0.2018653693,0.2018653693,GGA,Pnn2,A3B9C2D_oP60_34_ab2c_9c_2c_c:H-O-P-Yb,,A3B9C2D_oP60_34_ab2c_9c_2c_c:H-O-P-Yb +mp-1198634,YbP3(HO)6,-5.8318430834,-1.5933428123,0.0454870393,0.0454870393,GGA,C2/m,A6B6C3D_mC64_12_4ij_2i2j_3i_ac:H-O-P-Yb,,A6B6C3D_mC64_12_4ij_2i2j_3i_ac:H-O-P-Yb +mp-1200555,YbP2H4NO7,-6.6948801393,-2.1015179142,0.0004201852,0.0004201852,GGA,P2_1/c,A4BC7D2E_mP60_14_4e_e_7e_2e_e:H-N-O-P-Yb,,A4BC7D2E_mP60_14_4e_e_7e_2e_e:H-N-O-P-Yb +mp-1198950,KInH8(CO3)4,-6.4131164469,-1.5177773107,0.0394133597,0.0394133597,GGA,I4_1/a,A4B8CDE12_tI104_88_f_2f_a_b_3f:C-H-In-K-O,52.0,A4B8CDE12_tI104_88_f_2f_a_b_3f:C-H-In-K-O +mp-1217885,U12Cd4H6C4O51,-8.1621165664,-2.3343162849,0.5259588348,0.5259588348,GGA,P1,A4B4C6D51E12_aP77_1_4a_4a_6a_51a_12a:C-Cd-H-O-U,77.0,A4B4C6D51E12_aP77_1_4a_4a_6a_51a_12a:C-Cd-H-O-U +mp-1194624,K2Pb3C3O9F2,-6.7816117532,-2.0769858627,0.0,-0.0106576246,GGA,P6_3/mmc,A3B2C2D9E3_hP38_194_be_f_f_hk_cf:C-F-K-O-Pb,38.0,A3B2C2D9E3_hP38_194_be_f_f_hk_cf:C-F-K-O-Pb +mp-1191763,KPb2C2O6F,-6.9000704979,-2.0180175557,0.0033440649,0.0033440649,GGA,P6_3/mmc,A2BCD6E2_hP24_194_e_c_d_k_f:C-F-K-O-Pb,24.0,A2BCD6E2_hP24_194_e_c_d_k_f:C-F-K-O-Pb +mp-754613,K2ErPCO7,-7.4668775804,-2.7954354403,0.0202112356,0.0202112356,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Er-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Er-K-O-P, expected K2ErPCO13 to be K2ErPCO7" +mp-1211628,KEr(CO3)2,-7.9597197745,-2.5781616736,0.0,-0.1317282039,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-Er-K-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-Er-K-O +mp-698494,K2BiH5(CO2)5,-6.5871528702,-1.4291036605,0.1186376964,0.1186376964,GGA,C2/c,AB5C5D2E10_mC92_15_e_e2f_e2f_f_5f:Bi-C-H-K-O,46.0,AB5C5D2E10_mC92_15_e_e2f_e2f_f_5f:Bi-C-H-K-O +mp-698353,KBiH10C4O13,-6.3009833033,-1.4699569673,0.0398391652,0.0398391652,GGA,Fdd2,AB4C10DE13_oF232_43_a_2b_5b_a_a6b:Bi-C-H-K-O,58.0,AB4C10DE13_oF232_43_a_2b_5b_a_a6b:Bi-C-H-K-O +mp-707317,ErP4HO12,-7.7316363269,-2.7886408038,0.0,-0.0033538056,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Er-H-O-P,72.0,ABC12D4_mP72_14_e_e_12e_4e:Er-H-O-P +mp-1226297,ErP2H3O10,-6.8394100716,-2.1494482546,0.108572558,0.108572558,GGA,P1,AB3C10D2_aP32_1_2a_6a_20a_4a:Er-H-O-P,32.0,AB3C10D2_aP32_1_2a_6a_20a_4a:Er-H-O-P +mp-707202,ErP2H7O10,-5.9900992104,-1.5595845478,0.6314483084,0.6314483084,GGA,Pnna,AB7C10D2_oP80_52_d_c3e_5e_e:Er-H-O-P,80.0,AB7C10D2_oP80_52_d_c3e_5e_e:Er-H-O-P +mp-558204,ErPH5CO7,-6.7345525963,-2.0145433955,0.1204323759,0.1204323759,GGA,P-1,ABC5D7E_aP30_2_i_i_5i_7i_i:C-Er-H-O-P,30.0,"Invalid WP multiplicities - ABC5D7E_aP30_2_i_i_9i_13i_i:C-Er-H-O-P, expected ErPH9CO13 to be ErPH5CO7" +mp-1191628,PW6Cl17,-5.9869063687,-1.212439406,0.0069935414,0.0069935414,GGA,Imm2,A17BC6_oI48_44_a2b2cd2e_a_2cd:Cl-P-W,24.0,A17BC6_oI48_44_a2b2cd2e_a_2cd:Cl-P-W +mp-1197519,PW4Cl11,-6.0529811766,-1.2042482586,0.0,-0.0164190105,GGA,C2/m,A11BC4_mC64_12_3i4j_i_2j:Cl-P-W,32.0,A11BC4_mC64_12_3i4j_i_2j:Cl-P-W +mp-977371,PW4Cl11,-6.0514223497,-1.2026894318,0.0015588269,-0.0148601836,GGA,Cmcm,A11BC4_oC64_63_cf2gh_c_h:Cl-P-W,32.0,"Invalid WP multiplicities - A11BC4_oC64_63_c2f2g2h_c_h:Cl-P-W, expected PW4Cl17 to be PW4Cl11" +mp-1201704,P3W2N2(Cl5O)3,-5.3354067973,-1.2795158427,0.166126221,0.166126221,GGA+U,P-1,A15B2C3D3E2_aP100_2_30i_4i_6i_6i_4i:Cl-N-O-P-W,100.0,A15B2C3D3E2_aP100_2_30i_4i_6i_6i_4i:Cl-N-O-P-W +mp-774926,EuH4S2NO8,-6.7906373116,-1.789961666,0.0,-0.011387642,GGA,P2_1/c,AB4CD8E2_mP64_14_e_4e_e_8e_2e:Eu-H-N-O-S,64.0,"Invalid WP multiplicities - AB4CD8E2_mP64_14_e_7e_e_21e_3e:Eu-H-N-O-S, expected EuH7S3NO21 to be EuH4S2NO8" +mp-556165,LiB(CO2)4,-7.9100618318,-1.8331699534,0.1044510777,0.1044510777,GGA,Pnma,AB4CD8_oP56_62_c_2cd_c_4c2d:B-C-Li-O,56.0,"Invalid WP multiplicities - AB4CD8_oP56_62_c_7c4d_c_14c14d:B-C-Li-O, expected LiB(C5O14)3 to be LiB(CO2)4" +mp-9244,LiBC,-6.3140738,-0.3750804233,0.0,-0.2631140877,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Li,6.0,ABC_hP6_194_c_d_a:B-C-Li +mp-1180498,LiBC,-4.787831785,1.1511615917,1.526242015,1.2631279273,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Li,6.0,ABC_hP6_194_c_d_a:B-C-Li +mp-756641,Li2BPCO7,-7.4034511683,-2.4229489615,0.0981567639,0.0981567639,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-C-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-C-Li-O-P, expected Li2BPCO13 to be Li2BPCO7" +mp-1078212,Li2B2C,-5.162721697,0.1183372565,0.409714133,0.409714133,GGA,P-4m2,A2BC2_tP10_115_j_g_abg:B-C-Li,10.0,A2BC2_tP10_115_j_g_abg:B-C-Li +mp-569450,LiB6C,-6.6458888944,-0.2441465214,0.0,-0.0443855984,GGA,Amm2,A6BC_oC32_38_2c2df_c_e:B-C-Li,16.0,"Invalid WP multiplicities - A6BC_oC32_38_4c4d3f_c_e:B-C-Li, expected LiB14C to be LiB6C" +mp-1222458,LiB12PC,-6.7197045583,-0.2727984173,0.0,-0.00713406,GGA,Ima2,A12BCD_oI60_46_4b4c_b_b_b:B-C-Li-P,30.0,A12BCD_oI60_46_4b4c_b_b_b:B-C-Li-P +mp-1222682,Li(BC)2,-6.74411198,0.0008954987,0.2590609887,0.2590609887,GGA,P-3m1,A2B2C_hP5_164_d_d_a:B-C-Li,5.0,A2B2C_hP5_164_d_d_a:B-C-Li +mp-638070,LiB13C2,-6.8640366641,-0.1641399845,0.0,-0.0085199356,GGA,Imm2,A13B2C_oI64_44_ab4c4e_2c_ab:B-C-Li,32.0,"Invalid WP multiplicities - A13B2C_oI64_74_2e8h11j_h_e:B-C-Li, expected Li(B31C)2 to be LiB13C2" +mp-655591,LiB13C2,-6.8524372347,-0.1525405552,0.0115994294,0.0030794938,GGA,Imma,A13B2C_oI64_74_e2h2j_h_e:B-C-Li,32.0,"Invalid WP multiplicities - A13B2C_oI64_74_2e8h11j_h_e:B-C-Li, expected Li(B31C)2 to be LiB13C2" +mp-605406,RbU2H5C4O15,-7.73083874,-2.1144692231,0.0552689027,0.0552689027,GGA,P2_1/m,A4B5C15DE2_mP54_11_2f_3ef_3e6f_e_f:C-H-O-Rb-U,54.0,"Invalid WP multiplicities - A4B5C15DE2_mP54_11_5f_5e3f_6e21f_e_f:C-H-O-Rb-U, expected RbU2H11(C5O24)2 to be RbU2H5C4O15" +mp-756968,K3CaPCO7,-6.8307081138,-2.6302784447,0.0,-0.017805145,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Ca-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Ca-K-O-P, expected K4CaPCO13 to be K3CaPCO7" +mp-2646922,TmB3H18C2S,-4.5874951151,-0.2604206992,0.1178751068,0.1178751068,GGA,P2_1/c,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Tm,100.0,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Tm +mp-1217003,Tm9B5S21,-6.32053613,-1.7335382766,0.0578226382,0.0578226382,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:B-S-Tm,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:B-S-Tm, expected Tm24B5S51 to be Tm9B5S21" +mp-703567,TiH12N2(O2F3)2,-5.4900128612,-1.6285399389,0.1177915367,0.1177915367,GGA,P2_1/c,A6B12C2D4E_mP50_14_3e_6e_e_2e_a:F-H-N-O-Ti,50.0,A6B12C2D4E_mP50_14_3e_6e_e_2e_a:F-H-N-O-Ti +mp-733577,TiH2N2OF4,-5.4690593538,-1.0744055,1.1606961592,1.1606961592,GGA,P2_1/m,A4B2C2DE_mP40_11_4f_2ef_4e_2e_ad:F-H-N-O-Ti,40.0,A4B2C2DE_mP40_11_4f_2ef_4e_2e_ab:F-H-N-O-Ti +mp-1049346,TiH2N2OF4,-5.9482735152,-1.5536196615,0.6814819977000001,0.6814819977000001,GGA,P2_1/m,A4B2C2DE_mP40_11_4f_2ef_4e_2e_ad:F-H-N-O-Ti,40.0,A4B2C2DE_mP40_11_4f_2ef_4e_2e_ab:F-H-N-O-Ti +mp-555398,K2MgP2WO10,-7.5039210392,-2.6868772705,0.0,-0.0182987605,GGA+U,P1,A2BC10D2E_aP64_1_8a_4a_40a_8a_4a:K-Mg-O-P-W,64.0,A2BC10D2E_aP64_1_8a_4a_40a_8a_4a:K-Mg-O-P-W +mp-772844,KTiPCO7,-7.9687252645,-2.671027088,0.0319058592,0.0319058592,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Ti,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Ti, expected KTiPCO13 to be KTiPCO7" +mp-1225480,K8Ti4C16O45,-7.0429747042,-1.4166075874,0.7303669439,0.7303669439,GGA,P1,A16B8C45D4_aP73_1_16a_8a_45a_4a:C-K-O-Ti,73.0,A16B8C45D4_aP73_1_16a_8a_45a_4a:C-K-O-Ti +mp-755542,K2TiPCO7,-7.5116019817,-2.5628454076,0.1123322503,0.1123322503,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Ti,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Ti, expected K2TiPCO13 to be K2TiPCO7" +mp-1181261,K4Ti2C8O23,-7.1018630953,-1.4846808218,0.6351964546000001,0.6351964546000001,GGA,P2_1/c,A8B4C23D2_mP148_14_8e_4e_23e_2e:C-K-O-Ti,148.0,A8B4C23D2_mP148_14_8e_4e_23e_2e:C-K-O-Ti +mp-1212585,KBaV5(H2O7)2,-6.9054479431,-1.6545099281,0.6420551108,0.6420551108,GGA+U,P2_1/c,AB4CD14E5_mP100_14_e_4e_e_14e_5e:Ba-H-K-O-V,100.0,AB4CD14E5_mP100_14_e_4e_e_14e_5e:Ba-H-K-O-V +mp-1196246,Al3P2(H4O7)2,-6.6194038096,-2.2320414829,0.0525665662,0.0525665662,GGA,P-1,A3B8C14D2_aP54_2_3i_8i_14i_2i:Al-H-O-P,54.0,A3B8C14D2_aP54_2_3i_8i_14i_2i:Al-H-O-P +mp-1200028,Al3PH29(SO14)2,-5.8324356007,-1.6765741888,0.0279699129,0.0279699129,GGA,P-1,A3B29C28DE2_aP126_2_3i_29i_28i_i_2i:Al-H-O-P-S,126.0,A3B29C28DE2_aP126_2_3i_29i_28i_i_2i:Al-H-O-P-S +mp-721876,AlP2H5O9,-6.671126159,-2.197243249,0.0158693606,0.0158693606,GGA,P2_1/c,AB5C9D2_mP68_14_e_5e_9e_2e:Al-H-O-P,68.0,AB5C9D2_mP68_14_e_5e_9e_2e:Al-H-O-P +mp-605108,Al2P3H11O13,-6.2614957852,-1.9388061672,0.0281603674,0.0281603674,GGA,P2_1,A2B11C13D3_mP58_4_2a_11a_13a_3a:Al-H-O-P,58.0,"Invalid WP multiplicities - A2B11C13D3_mP58_4_4a_22a_25a_5a:Al-H-O-P, expected Al4P5H22O25 to be Al2P3H11O13" +mp-722269,AlP3(HO5)2,-7.3142205738,-2.5493566642000003,0.0075082726,0.0075082726,GGA,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Al-H-O-P,64.0,AB2C10D3_mP64_14_e_2e_10e_3e:Al-H-O-P +mp-1214940,AlP(HO2)2,-6.199067175,-1.732681516,0.60855508,0.60855508,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Al-H-O-P,32.0,AB2C4D_mP32_14_e_2e_4e_e:Al-H-O-P +mp-24398,AlP(H2O3)2,-6.5439634512,-2.1764705526,0.025380855,0.025380855,GGA,P2_1/c,AB4C6D_mP48_14_e_4e_6e_e:Al-H-O-P,48.0,"Invalid WP multiplicities - AB4C6D_mP48_14_e_5e_9e_e:Al-H-O-P, expected AlPH5O9 to be AlP(H2O3)2" +mp-24045,AlP(H2O3)2,-6.5456413317,-2.178148433,0.0237029746,0.0237029746,GGA,Pbca,AB4C6D_oP96_61_c_4c_6c_c:Al-H-O-P,96.0,"Invalid WP multiplicities - AB4C6D_oP96_61_c_5c_11c_c:Al-H-O-P, expected AlPH5O11 to be AlP(H2O3)2" +mp-1215156,Al3P3H7O12,-6.1795617842,-1.7561225098,0.4914646224,0.4914646224,GGA,P6_3,A3B7C12D3_hP150_173_3c_7c_12c_3c:Al-H-O-P,150.0,A3B7C12D3_hP150_173_3c_7c_12c_3c:Al-H-O-P +mp-1215114,Al3P2H6O11,-6.4271542341,-2.025642207,0.3331193533,0.3331193533,GGA,Pna2_1,A3B6C11D2_oP88_33_3a_6a_11a_2a:Al-H-O-P,88.0,A3B6C11D2_oP88_33_3a_6a_11a_2a:Al-H-O-P +mp-1193864,Al2PH3O7,-6.9867636292,-2.5475749154000003,0.0034144352,0.0034144352,GGA,C2/m,A2B3C7D_mC52_12_gi_ij_3i2j_i:Al-H-O-P,26.0,A2B3C7D_mC52_12_gi_ij_3i2j_i:Al-H-O-P +mp-23995,Al2P3(HO3)3,-7.0639304103,-2.4504341917,0.0,-0.0206725683,GGA,P6_3/m,A2B3C9D3_hP34_176_f_h_hi_h:Al-H-O-P,34.0,"Invalid WP multiplicities - A2B3C9D3_hP34_176_f_h_2hi_h:Al-H-O-P, expected Al2P3(HO4)3 to be Al2P3(HO3)3" +mp-556596,AlP3(HO2)6,-6.7392211293,-2.2073073041,0.0119477793,0.0119477793,GGA,P2/c,AB6C12D3_mP44_13_a_3g_6g_eg:Al-H-O-P,44.0,"Invalid WP multiplicities - AB6C12D3_mP44_13_a_11g_19g_2e2g:Al-H-O-P, expected AlP6(H11O19)2 to be AlP3(HO2)6" +mp-1198052,AlP2H2O9,-6.7407917895,-2.0352324085,0.2360753837,0.2360753837,GGA,P-1,AB2C9D2_aP42_2_bi_3i_e13i_3i:Al-H-O-P,42.0,AB2C9D2_aP42_2_bi_3i_e13i_3i:Al-H-O-P +mp-706302,Al2P2H4O11,-6.7541463316,-2.2119233486,0.1645034756,0.1645034756,GGA,Pbca,A2B4C11D2_oP152_61_2c_4c_11c_2c:Al-H-O-P,152.0,A2B4C11D2_oP152_61_2c_4c_11c_2c:Al-H-O-P +mp-706709,Al4P3(HO5)3,-7.422358177,-2.7983293912,0.0265764925,0.0265764925,GGA,C2/c,A4B3C15D3_mC100_15_2f_ef_e7f_ef:Al-H-O-P,50.0,A4B3C15D3_mC100_15_2f_ef_e7f_ef:Al-H-O-P +mp-1203322,AlP3H10O11,-6.1116398995,-1.7785871145,0.0424022529,0.0424022529,GGA,Pna2_1,AB10C11D3_oP100_33_a_10a_11a_3a:Al-H-O-P,100.0,AB10C11D3_oP100_33_a_10a_11a_3a:Al-H-O-P +mp-731832,Cs2V(OF2)2,-5.7219483417,-2.5648367743,0.1250071172,0.1250071172,GGA+U,Cmcm,A2B4C2D_oC36_63_2c_h_2c_c:Cs-F-O-V,18.0,A2B4C2D_oC36_63_2c_h_2c_c:Cs-F-O-V +mp-557931,CsVOF3,-6.4219217979,-2.9785161219000003,0.0154576954,0.0154576954,GGA+U,Pbam,AB3CD_oP24_55_h_2gh_g_g:Cs-F-O-V,24.0,AB3CD_oP24_55_h_2gh_g_g:Cs-F-O-V +mp-1226442,Cs2VH2(OF2)2,-5.7292186291,-2.5292680658,0.0,-0.0123654623,GGA+U,C2/c,A2B4C2D2E_mC44_15_2e_2f_f_2e_e:Cs-F-H-O-V,44.0,A2B4C2D2E_mC44_15_2e_2f_f_2e_e:Cs-F-H-O-V +mp-1226167,Cs3V2O2F7,-6.1515796096,-2.999597506,0.0,-0.012302507,GGA+U,C2/c,A3B7C2D2_mC56_15_ef_e3f_f_f:Cs-F-O-V,28.0,"Invalid WP multiplicities - A3B7C2D2_mC56_15_ef_2e10f_f_f:Cs-F-O-V, expected Cs3V2(OF11)2 to be Cs3V2O2F7" +mp-1193015,CsVOF4,-6.1769174725,-2.9523584692,0.0,-0.0806677135,GGA+U,Pnma,AB4CD_oP28_62_c_2cd_c_c:Cs-F-O-V,28.0,AB4CD_oP28_62_c_2cd_c_c:Cs-F-O-V +mp-728780,Ba2V3P6HO22,-8.0007410353,-2.830465717,0.0,-0.0111420287,GGA+U,P-1,A2BC22D6E3_aP34_2_i_b_11i_3i_ei:Ba-H-O-P-V,34.0,A2BC22D6E3_aP34_2_i_b_11i_3i_ei:Ba-H-O-P-V +mp-1182388,BaV2P2(H4O7)2,-6.7093265319,-1.9941842203,0.1418786809,0.1418786809,GGA+U,Pc,AB8C14D2E2_mP54_7_a_8a_14a_2a_2a:Ba-H-O-P-V,54.0,AB8C14D2E2_mP54_7_a_8a_14a_2a_2a:Ba-H-O-P-V +mp-24598,BaVP2(H2O5)2,-7.0719827179,-2.3571339781,0.0020808048,0.0020808048,GGA+U,P2_1/c,AB4C10D2E_mP72_14_e_4e_10e_2e_e:Ba-H-O-P-V,72.0,AB4C10D2E_mP72_14_e_4e_10e_2e_e:Ba-H-O-P-V +mp-758920,Ba3V2P6(HO4)6,-7.3576208629,-2.5897809278,0.0229302501,0.0229302501,GGA+U,R-3c,A3B6C24D6E2_hR246_167_e_f_4f_f_ab:Ba-H-O-P-V,82.0,"Invalid WP multiplicities - A3B6C24D6E2_hR246_167_e_f_31f_f_2ab:Ba-H-O-P-V, expected BaVP2(HO31)2 to be Ba3V2P6(HO4)6" +mp-758476,V3Co2P6WO24,-8.1364541297,-2.4245977925,0.0952983659,0.0952983659,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Co-O-P-V-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Co-O-P-V-W, expected V3Co2P6WO60 to be V3Co2P6WO24" +mp-1190696,K2RuNO2F5,-5.4439393627,-1.8728059428,0.2304691326,0.2304691326,GGA,Cmcm,A5B2CD2E_oC44_63_ch_2c_c_2c_c:F-K-N-O-Ru,22.0,A5B2CD2E_oC44_63_ch_2c_c_2c_c:F-K-N-O-Ru +mp-1203242,KGaH9C3F,-4.7855030897,-0.5008027684,0.081437476,0.081437476,GGA,F-43c,A3BCD9E_cF480_219_h_e_e_3h_e:C-F-Ga-H-K,120.0,A3BCD9E_cF480_219_h_e_e_3h_e:C-F-Ga-H-K +mp-1212344,KYbP4(H2O3)6,-6.2672306228,-1.9878882173,0.0503266726,0.0503266726,GGA,C2/c,A12BC18D4E_mC144_15_6f_e_9f_2f_e:H-K-O-P-Yb,,A12BC18D4E_mC144_15_6f_e_9f_2f_e:H-K-O-P-Yb +mp-722346,KYbP4(H4O9)2,-6.2496635363,-1.8594940857,0.1931125366,0.1931125366,GGA,C2/c,A8BC18D4E_mC128_15_4f_e_9f_2f_e:H-K-O-P-Yb,,A8BC18D4E_mC128_15_4f_e_9f_2f_e:H-K-O-P-Yb +mp-1203140,KYbP2H4O9,-6.4680501903,-2.2581846126,0.0521887334,0.0521887334,GGA,P2_1/c,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Yb,,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Yb +mp-7257,K3NaP2(O3F)2,-6.2649894893,-2.7661739643,0.0013899748,0.0013899748,GGA,P-3m1,A2B3CD6E2_hP14_164_d_ad_b_i_d:F-K-Na-O-P,14.0,"Invalid WP multiplicities - A2B3CD6E2_hP14_164_d_a2d_b_i_d:F-K-Na-O-P, expected K5NaP2(O3F)2 to be K3NaP2(O3F)2" +mp-553978,KSeNO2,-5.4641495970000005,-0.8969130426,0.4111422388,0.4111422388,GGA,P2_1/c,ABC2D_mP60_14_3e_3e_6e_3e:K-N-O-Se,60.0,"Invalid WP multiplicities - ABC2D_mP60_14_9e_8e_22e_10e:K-N-O-Se, expected K9Se10(N4O11)2 to be KSeNO2" +mp-1224027,K7Se4NO16,-5.3487461089,-1.4473192216,0.2503319726,0.2503319726,GGA,Pm,A7BC16D4_mP28_6_3a4b_a_4a4b4c_2a2b:K-N-O-Se,28.0,"Invalid WP multiplicities - A7BC16D4_mP28_6_3a4b_a_4a4b8c_2a2b:K-N-O-Se, expected K7Se4NO24 to be K7Se4NO16" +mp-707976,KH2SeNO3,-5.3959017528,-1.0748613061,0.2234435024,0.2234435024,GGA,P2_1/c,A2BCD3E_mP32_14_2e_e_e_3e_e:H-K-N-O-Se,32.0,A2BCD3E_mP32_14_2e_e_e_3e_e:H-K-N-O-Se +mp-554382,K2CdP2O7,-6.5776299204,-2.5278704499,0.0,-0.023319667,GGA,C2/c,AB2C7D2_mC48_15_c_f_e3f_f:Cd-K-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_mC48_15_c_f_2e12f_f:Cd-K-O-P, expected K2Cd(PO13)2 to be K2CdP2O7" +mp-28302,K4CdP2,-2.6582352843,-0.345222347,0.0,-0.0793218858,GGA,R-3m,AB4C2_hR21_166_a_2c_c:Cd-K-P,7.0,"Invalid WP multiplicities - AB4C2_hR21_166_a_3c_c:Cd-K-P, expected K6CdP2 to be K4CdP2" +mp-734377,KCdP3H8O13,-6.1680705254,-1.9479952241,0.0310231687,0.0310231687,GGA,P-1,AB8CD13E3_aP104_2_2i_16i_2i_26i_6i:Cd-H-K-O-P,104.0,AB8CD13E3_aP104_2_2i_16i_2i_26i_6i:Cd-H-K-O-P +mp-16382,KCd6P7O24,-6.6944367162,-2.3980845024,0.0,-0.0045325497,GGA,P2_1/m,A6BC24D7_mP76_11_3f_e_2e11f_e3f:Cd-K-O-P,76.0,"Invalid WP multiplicities - A6BC24D7_mP76_11_6f_e_3e14f_e3f:Cd-K-O-P, expected KCd12P7O31 to be KCd6P7O24" +mp-1202998,K4Cd(P3O10)2,-6.70652755,-2.2943315883,0.157430519,0.157430519,GGA,P-1,AB4C20D6_aP31_2_a_2i_10i_3i:Cd-K-O-P,31.0,AB4C20D6_aP31_2_a_2i_10i_3i:Cd-K-O-P +mp-1202256,K4Cd3(PO4)6,-6.3851356847,-2.1037678691,0.143142419,0.143142419,GGA,P2_1/c,A3B4C24D6_mP74_14_ae_2e_12e_3e:Cd-K-O-P,74.0,A3B4C24D6_mP74_14_ae_2e_12e_3e:Cd-K-O-P +mp-1211746,KCd(PO3)3,-7.0308659386,-2.5456234651000003,0.0,-0.0150995942,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Cd-K-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Cd-K-O-P +mp-1080467,KCd4P3,-2.8194555638,-0.1892223754,0.0,-0.0185444677,GGA,R-3m,A4BC3_hR24_166_2c_a_bc:Cd-K-P,8.0,A4BC3_hR24_166_2c_a_bc:Cd-K-P +mp-1178147,K3TlPCO7,-6.3992095485,-2.1713150126,0.0211128914,0.0211128914,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-Tl,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-K-O-P-Tl, expected K4TlPCO13 to be K3TlPCO7" +mp-1178146,K2TlPCO7,-6.6246643587000005,-2.1369785239,0.0,-0.0348294543,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Tl,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Tl, expected K2TlPCO13 to be K2TlPCO7" +mp-973330,SbPH4(O2F3)2,-5.5778832491,-2.179830963,0.0017921973,0.0017921973,GGA,C2/c,A6B4C4DE_mC64_15_3f_2f_2f_e_a:F-H-O-P-Sb,32.0,A6B4C4DE_mC64_15_3f_2f_2f_e_c:F-H-O-P-Sb +mp-650023,K2PdC4(SN)4,-6.641808513,-0.3613337902,0.1254801042,0.1254801042,GGA,P2_1/c,A4B2C4DE4_mP30_14_2e_e_2e_a_2e:C-K-N-Pd-S,30.0,"Invalid WP multiplicities - A4B2C4DE4_mP30_14_6e_e_5e_a_5e:C-K-N-Pd-S, expected K2PdC12(SN)10 to be K2PdC4(SN)4" +mp-11893,K2Pd(CN)4,-7.3133994773,-0.2532793524,0.0980182266,0.0980182266,GGA,P2_1/c,A4B2C4D_mP22_14_2e_e_2e_a:C-K-N-Pd,22.0,"Invalid WP multiplicities - A4B2C4D_mP22_14_4e_e_3e_a:C-K-N-Pd, expected K2Pd(C4N3)2 to be K2Pd(CN)4" +mp-1181072,K4ZrC5O15F2,-6.8166011306000005,-1.73675252,0.4014485278,0.4014485278,GGA,C2/m,A5B2C4D15E_mC108_12_i2j_2i_2ij_i7j_i:C-F-K-O-Zr,54.0,A5B2C4D15E_mC108_12_i2j_2i_2ij_i7j_i:C-F-K-O-Zr +mp-557528,ScH3(CO2)3,-7.3996463485,-1.7168174265,0.1034359532,0.1034359532,GGA,P2_1/c,A3B3C6D_mP52_14_3e_3e_6e_ad:C-H-O-Sc,52.0,"Invalid WP multiplicities - A3B3C6D_mP52_14_9e_9e_19e_ad:C-H-O-Sc, expected ScH9C9O19 to be ScH3(CO2)3" +mp-1193413,ScH3(CO2)3,-7.4022898435,-1.7194609215,0.1007924582,0.1007924582,GGA,R-3c,A3B3C6D_hR78_167_e_e_f_b:C-H-O-Sc,26.0,A3B3C6D_hR78_167_e_e_f_b:C-H-O-Sc +mp-554515,KScH4(C2O5)2,-7.2354696155,-1.8657035498,0.016186804,0.016186804,GGA,P6_222,A4B4CD10E_hP60_180_2i_k_b_g2k_d:C-H-K-O-Sc,60.0,"Invalid WP multiplicities - A4B4CD10E_hP60_180_6i_k_b_6g14k_d:C-H-K-O-Sc, expected KScH4(C3O17)4 to be KScH4(C2O5)2" +mp-1223450,KSrB(PO4)2,-7.5677019492,-2.9615943435,0.0,-0.0048975232,GGA,Cc,ABC8D2E_mC52_9_a_a_8a_2a_a:B-K-O-P-Sr,26.0,"Invalid WP multiplicities - ABC8D2E_mC52_9_a_a_16a_4a_a:B-K-O-P-Sr, expected KSrB(PO4)4 to be KSrB(PO4)2" +mp-1212300,K2UMo2HO10,-7.743987613,-2.2400425329,0.2095542475,0.2095542475,GGA+U,P2_1/c,AB2C2D10E_mP64_14_e_2e_2e_10e_e:H-K-Mo-O-U,64.0,AB2C2D10E_mP64_14_e_2e_2e_10e_e:H-K-Mo-O-U +mp-1211904,K2U(MoO4)3,-8.2215989411,-2.3655198984,0.0980207593,0.0980207593,GGA+U,C2/c,A2B3C12D_mC72_15_f_ef_6f_e:K-Mo-O-U,36.0,A2B3C12D_mC72_15_f_ef_6f_e:K-Mo-O-U +mp-558075,K2U(MoO5)2,-8.1964611282,-2.5517681124,0.0,-0.0099435132,GGA+U,P2_1/c,A2B2C10D_mP120_14_4e_4e_20e_2e:K-Mo-O-U,120.0,"Invalid WP multiplicities - A2B2C10D_mP120_14_12e_14e_75e_5e:K-Mo-O-U, expected K12U5Mo14O75 to be K2U(MoO5)2" +mp-1198457,K2UMo2O11,-7.851130451399999,-2.2500627047,0.1422199007,0.1422199007,GGA+U,P2_1/c,A2B2C11D_mP64_14_2e_2e_11e_e:K-Mo-O-U,64.0,A2B2C11D_mP64_14_2e_2e_11e_e:K-Mo-O-U +mp-558070,K6U2Mo4O21,-7.8991941742,-2.5504585052,0.0,-0.0086759797,GGA+U,P-1,A6B4C21D2_aP33_2_3i_2i_a10i_i:K-Mo-O-U,33.0,"Invalid WP multiplicities - A6B4C21D2_aP33_2_6i_3i_a18i_i:K-Mo-O-U, expected K12U2Mo6O37 to be K6U2Mo4O21" +mp-704306,K2U2MoO10,-8.6496174793,-2.9752071369,0.0032174442,0.0032174442,GGA+U,P2_1/c,A2BC10D2_mP60_14_2e_e_10e_2e:K-Mo-O-U,60.0,"Invalid WP multiplicities - A2BC10D2_mP60_14_7e_e_40e_4e:K-Mo-O-U, expected K7U4MoO40 to be K2U2MoO10" +mp-1211637,KCaPHO4,-6.3297061525,-2.3661083745,0.2933440571,0.2933440571,GGA,C2/m,ABCD4E_mC32_12_g_i_h_2ij_i:Ca-H-K-O-P,16.0,ABCD4E_mC32_12_g_i_h_2ij_i:Ca-H-K-O-P +mp-733862,KCaP3(HO2)6,-6.5408339284,-2.2333327478,0.044310647,0.044310647,GGA,P2_1/c,AB6CD12E3_mP92_14_e_6e_e_12e_3e:Ca-H-K-O-P,92.0,AB6CD12E3_mP92_14_e_6e_e_12e_3e:Ca-H-K-O-P +mp-697128,KCa2P4H11O18,-6.4631449639,-2.2093896297,0.0041389775,0.0041389775,GGA,P1,A2B11CD18E4_aP36_1_2a_11a_a_18a_4a:Ca-H-K-O-P,36.0,A2B11CD18E4_aP36_1_2a_11a_a_18a_4a:Ca-H-K-O-P +mp-706367,KCaP3H4O11,-6.7528270081,-2.3858076906,0.0411741104,0.0411741104,GGA,P2_1/c,AB4CD11E3_mP160_14_2e_8e_2e_22e_6e:Ca-H-K-O-P,160.0,AB4CD11E3_mP160_14_2e_8e_2e_22e_6e:Ca-H-K-O-P +mp-706303,KCa2P4H9O17,-6.571060923,-2.2861199766,0.0120881385,0.0120881385,GGA,P2_1/c,A2B9CD17E4_mP132_14_2e_9e_e_17e_4e:Ca-H-K-O-P,132.0,A2B9CD17E4_mP132_14_2e_9e_e_17e_4e:Ca-H-K-O-P +mp-696878,K3CaP2HO8,-6.6673089260000005,-2.7253330947,0.0,-0.028926939,GGA,C2/m,ABC3D8E2_mC30_12_c_b_ai_2ij_i:Ca-H-K-O-P,15.0,ABC3D8E2_mC30_12_c_a_bi_2ij_i:Ca-H-K-O-P +mp-24340,K3GeH3S3O2,-4.7237735612,-1.3541794067,0.0,-0.0152923932,GGA,P-1,AB3C3D2E3_aP24_2_i_3i_3i_2i_3i:Ge-H-K-O-S,24.0,"Invalid WP multiplicities - AB3C3D2E3_aP24_2_i_3i_3i_3i_4i:Ge-H-K-O-S, expected K3GeH3S4O3 to be K3GeH3S3O2" +mp-1198745,Cd6P7NO24,-6.5649322029,-2.0784195686,0.2129079118,0.2129079118,GGA,Pm,A6BC24D7_mP76_6_6c_ab_2a2b22c_ab6c:Cd-N-O-P,76.0,A6BC24D7_mP76_6_6c_ab_2a2b22c_ab6c:Cd-N-O-P +mp-1197983,CdP2H10(NO4)2,-5.8606208568,-1.4291749976,0.0898954266,0.0898954266,GGA,P2_1/c,AB10C2D8E2_mP92_14_e_10e_2e_8e_2e:Cd-H-N-O-P,92.0,AB10C2D8E2_mP92_14_e_10e_2e_8e_2e:Cd-H-N-O-P +mp-505364,CdPH6NO5,-5.7611769136,-1.4924278409,0.0055707023,0.0055707023,GGA,Pnma,AB6CD5E_oP56_62_c_2c2d_c_3cd_c:Cd-H-N-O-P,56.0,AB6CD5E_oP56_62_c_2c2d_c_3cd_c:Cd-H-N-O-P +mp-1213892,CdP3NO9,-6.7774109386,-1.7760187524000002,0.453670344,0.453670344,GGA,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Cd-N-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Cd-N-O-P +mp-725997,CdPNO5,-6.6044735631,-1.6787072196,0.1291242036,0.1291242036,GGA,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:Cd-N-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:Cd-N-O-P +mp-1178150,KCu2H2(SO5)2,-5.9184702559,-1.5752907722,0.0060647826,0.0060647826,GGA,C2/m,A2B2CD10E2_mC34_12_f_i_a_3ij_i:Cu-H-K-O-S,17.0,"Invalid WP multiplicities - A2B2CD10E2_mC34_12_e_i_a_5i2j_i:Cu-H-K-O-S, expected KCu2H2(SO9)2 to be KCu2H2(SO5)2" +mp-24038,K2CuH12(SO7)2,-5.5785017995,-1.5604611932,0.0027985112,0.0027985112,GGA,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Cu-H-K-O-S,62.0,"Invalid WP multiplicities - AB12C2D14E2_mP62_14_a_23e_e_28e_e:Cu-H-K-O-S, expected K2CuH46(SO28)2 to be K2CuH12(SO7)2" +mp-1223515,KCu2H3(SO5)2,-5.8825750267,-1.5921985118,0.0054374474,0.0054374474,GGA,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Cu-H-K-O-S,18.0,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Cu-H-K-O-S +mp-23905,KMgH9(CO5)2,-6.08176196,-1.6830910252,0.0103925774,0.0103925774,GGA,P-1,A2B9CDE10_aP23_2_i_a4i_c_f_5i:C-H-K-Mg-O,23.0,"Invalid WP multiplicities - A2B9CDE10_aP23_2_i_a7i_c_f_7i:C-H-K-Mg-O, expected KMgH15(CO7)2 to be KMgH9(CO5)2" +mp-1026853,KMg14C,-1.7421270625,0.3043095087,0.3212309369,0.3212309369,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:C-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:C-K-Mg, expected KMg18C to be KMg14C" +mp-1026833,KMg14C,-1.6604555662,0.385981005,0.4029024331,0.4029024331,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:C-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:C-K-Mg, expected KMg26C to be KMg14C" +mp-1021350,KMg6C,-2.1506898994,0.3419031931,0.3592016524,0.3592016524,GGA,Amm2,ABC6_oC16_38_a_b_abde:C-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:C-K-Mg, expected KMg12C to be KMg6C" +mp-1021450,KMg6C,-2.1047837481,0.3878093443,0.4051078037,0.4051078037,GGA,Amm2,ABC6_oC16_38_a_a_2bde:C-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:C-K-Mg, expected KMg12C to be KMg6C" +mp-1035674,KMg14CO16,-6.0707854422,-2.574222801,0.3447711453,0.3447711453,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:C-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:C-K-Mg-O, expected KMg18CO20 to be KMg14CO16" +mp-1035605,KMg14CO16,-6.0167167441,-2.5201541028000003,0.3988398434,0.3988398434,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:C-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:C-K-Mg-O, expected KMg30CO32 to be KMg14CO16" +mp-1211898,KMgH(CO5)2,-6.063823452,-1.128648576,0.442383065,0.442383065,GGA,P-1,A2BCDE10_aP15_2_i_a_c_f_5i:C-H-K-Mg-O,15.0,A2BCDE10_aP15_2_i_a_c_f_5i:C-H-K-Mg-O +mp-757963,K2MgH8(CO5)2,-6.0682659126,-1.7688265908,0.0,-0.0131545824,GGA,P2_1/c,A2B8C2DE10_mP46_14_e_4e_e_a_5e:C-H-K-Mg-O,46.0,"Invalid WP multiplicities - A2B8C2DE10_mP46_14_e_15e_e_a_17e:C-H-K-Mg-O, expected K2MgH30(CO17)2 to be K2MgH8(CO5)2" +mp-1040182,KMg30CO32,-6.1776671786,-2.7926436677,0.1938734551,0.1938734551,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:C-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:C-K-Mg-O, expected KMg110CO72 to be KMg30CO32" +mp-1040199,KMg30CO32,-6.192332673,-2.807309162,0.1792079608,0.1792079608,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:C-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:C-K-Mg-O, expected KMg90CO80 to be KMg30CO32" +mp-1095215,K2Mg(CO3)2,-6.9928547009,-2.2693509558,0.0016040936,-0.0009178634,GGA,C2/m,A2B2CD6_mC22_12_i_i_a_ij:C-K-Mg-O,11.0,A2B2CD6_mC22_12_i_i_a_ij:C-K-Mg-O +mp-8127,K2Mg(CO3)2,-6.9944587945,-2.2709550494,0.0,-0.002521957,GGA,R-3m,A2B2CD6_hR33_166_c_c_a_h:C-K-Mg-O,11.0,A2B2CD6_hR33_166_c_c_a_h:C-K-Mg-O +mp-1104832,KMg(CO5)2,-5.99096255,-0.9456127575,0.577674773,0.577674773,GGA,P-1,A2BCD10_aP14_2_i_b_e_5i:C-K-Mg-O,14.0,A2BCD10_aP14_2_i_b_e_5i:C-K-Mg-O +mp-1180869,KMg(CO5)2,-6.1526986757,-1.1073488832,0.4159386473,0.4159386473,GGA,P-1,A2BCD10_aP14_2_i_b_e_5i:C-K-Mg-O,14.0,A2BCD10_aP14_2_i_b_e_5i:C-K-Mg-O +mp-1030927,KMg6CO8,-5.67876036,-1.9591194582,0.8248281349000001,0.8248281349000001,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:C-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:C-K-Mg-O, expected KMg6CO12 to be KMg6CO8" +mp-1030964,KMg6CO8,-5.8202194275,-2.1005785257,0.6833690674,0.6833690674,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:C-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:C-K-Mg-O, expected KMg6CO12 to be KMg6CO8" +mp-554643,K2SbSO4F3,-5.7328918536,-2.4594881492000003,0.0,-0.0096432764,GGA,P2_12_12_1,A3B2C4DE_oP44_19_3a_2a_4a_a_a:F-K-O-S-Sb,44.0,"Invalid WP multiplicities - A3B2C4DE_oP44_19_11a_5a_14a_a_a:F-K-O-S-Sb, expected K5SbSO14F11 to be K2SbSO4F3" +mp-557470,K2Sb2S(O2F3)2,-5.5878120852,-2.5297534924,0.0,-0.0086938096,GGA,P2_1/c,A6B2C4DE2_mP60_14_6e_2e_4e_e_2e:F-K-O-S-Sb,60.0,"Invalid WP multiplicities - A6B2C4DE2_mP60_14_18e_4e_11e_e_4e:F-K-O-S-Sb, expected K4Sb4SO11F18 to be K2Sb2S(O2F3)2" +mp-1212258,K2CoH2(SO5)2,-6.1010792094,-1.7567054079000002,0.0403221036,0.0403221036,GGA+U,P-1,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-S,17.0,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-S +mp-1238442,K2CoH2(SO5)2,-5.6795033041,-1.3351295026,0.4618980089,0.4618980089,GGA+U,P-1,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-S,17.0,AB2C2D10E2_aP17_2_a_i_i_5i_i:Co-H-K-O-S +mp-1212230,K2CoH2(SO4)2,-5.791290753,-1.5272256062,0.3496274027,0.3496274027,GGA+U,P2_1/c,AB2C2D8E2_mP30_14_a_e_e_4e_e:Co-H-K-O-S,30.0,AB2C2D8E2_mP30_14_a_e_e_4e_e:Co-H-K-O-S +mp-1181029,K2Co(SO5)2,-6.1089516483,-1.6376914793,0.1332968574,0.1332968574,GGA+U,P2_1/c,AB2C10D2_mP30_14_a_e_5e_e:Co-K-O-S,30.0,AB2C10D2_mP30_14_a_e_5e_e:Co-K-O-S +mp-510629,K2Co3H6S3O16,-6.2153120902,-1.7000295392,0.0128528177,0.0128528177,GGA+U,Cmc2_1,A3B6C2D16E3_oC120_36_ab_2a2b_b_4a6b_ab:Co-H-K-O-S,60.0,A3B6C2D16E3_oC120_36_ab_2a2b_b_4a6b_ab:Co-H-K-O-S +mp-1212192,K2Co(SO7)2,-5.5990143726,-1.0276639842,0.3704847027,0.3704847027,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Co-K-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Co-K-O-S +mp-21807,K2Co2(SO4)3,-6.5870501838,-1.9445739933,0.0,-0.0047201482,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Co-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_2a_5a_8b_b:Co-K-O-S, expected K5Co2(SO8)3 to be K2Co2(SO4)3" +mp-542902,K2CoH12(SO7)2,-5.7192794718,-1.6041707647,0.0,-0.0013692983,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-S,62.0,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-K-O-S +mp-1198667,K2SrB8(HO)28,-6.2148425044,-1.8738120762,0.0162715749,0.0162715749,GGA,Pna2_1,A8B28C2D28E_oP268_33_8a_28a_2a_28a_a:B-H-K-O-Sr,268.0,A8B28C2D28E_oP268_33_8a_28a_2a_28a_a:B-H-K-O-Sr +mp-1195216,KSr(BH4)3,-4.2189762444,-0.4806950531,0.0,-0.0971540128,GGA,Pna2_1,A3B12CD_oP68_33_3a_12a_a_a:B-H-K-Sr,68.0,A3B12CD_oP68_33_3a_12a_a_a:B-H-K-Sr +mp-1202789,Mg2B4H22C2S,-4.3168222803,-0.2151486989,0.1434172111,0.1434172111,GGA,Cc,A4B2C22D2E_mC124_9_4a_2a_22a_2a_a:B-C-H-Mg-S,62.0,A4B2C22D2E_mC124_9_4a_2a_22a_2a_a:B-C-H-Mg-S +mp-1225570,DyHC4,-6.149196315,1.3364994942,1.5992328962,1.5992328962,GGA,P4/mmm,A4BC_tP6_123_gh_a_d:C-Dy-H,6.0,"Invalid WP multiplicities - A4BC_tP6_123_2gh_a_d:C-Dy-H, expected DyHC6 to be DyHC4" +mp-2647060,DyBH4,-4.4600356722,-0.3171885404,0.233195487,0.233195487,GGA,Imm2,ABC4_oI36_44_ac_ac_3cde:B-Dy-H,18.0,"Invalid WP multiplicities - ABC4_oI36_44_ac_ac_3cd2e:B-Dy-H, expected Dy3B3H16 to be DyBH4" +mp-1225776,Dy9B5S21,-6.3728760816,-1.7522050068,0.0340759443,0.0340759443,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:B-Dy-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:B-Dy-S, expected Dy24B5S51 to be Dy9B5S21" +mp-2647168,DyB3H18C2S,-4.5953032464,-0.2629907738,0.1146539429,0.1146539429,GGA,P2_1/c,A3B2CD18E_mP100_14_3e_2e_e_18e_e:B-C-Dy-H-S,100.0,A3B2CD18E_mP100_14_3e_2e_e_18e_e:B-C-Dy-H-S +mp-686482,K2YTi(PO4)3,-7.9457074005,-3.0939740806,0.0053796848,0.0053796848,GGA,P1,A2B12C3DE_aP152_1_16a_96a_24a_8a_8a:K-O-P-Ti-Y,152.0,A2B12C3DE_aP152_1_16a_96a_24a_8a_8a:K-O-P-Ti-Y +mp-1224611,K2YTi(PO4)3,-7.9445953746,-3.0928620547,0.0064917107,0.0064917107,GGA,P2_13,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Ti-Y,76.0,A2B12C3DE_cP76_198_2a_4b_b_a_a:K-O-P-Ti-Y +mp-1245877,In4S3N2,-4.8117625778,-0.357420981,0.1553646631,0.1553646631,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:In-N-S,9.0,A4B2C3_mC18_12_2i_i_ai:In-N-S +mp-1213492,InH12S3(NO4)3,-5.8500493707,-1.3260656552,0.0,-0.0074211544,GGA,P2_1/c,A12BC3D12E3_mP124_14_12e_e_3e_12e_3e:H-In-N-O-S,124.0,A12BC3D12E3_mP124_14_12e_e_3e_12e_3e:H-In-N-O-S +mp-774224,InH12S2NO12,-5.6860754407,-1.4205734599,0.0111749251,0.0111749251,GGA,P2_1,A12BCD12E2_mP112_4_24a_2a_2a_24a_4a:H-In-N-O-S,112.0,"Invalid WP multiplicities - A12BCD12E2_mP112_4_47a_3a_3a_47a_7a:H-In-N-O-S, expected In3H47S7N3O47 to be InH12S2NO12" +mp-1213608,InH4S2NO8,-5.3319243602,-0.800331094,0.7387731968,0.7387731968,GGA,P2_1,A4BCD8E2_mP64_4_8a_2a_2a_16a_4a:H-In-N-O-S,64.0,A4BCD8E2_mP64_4_8a_2a_2a_16a_4a:H-In-N-O-S +mp-1211974,InS2NO8,-6.0428472217,-1.1316315484,0.5397558091,0.5397558091,GGA,R32,ABC8D2_hR36_155_a_b_cf_c:In-N-O-S,12.0,ABC8D2_hR36_155_a_b_cf_c:In-N-O-S +mp-729204,InS3(NO4)3,-5.7137910058,-0.4753287615,0.9668277768,0.9668277768,GGA,R3c,AB3C12D3_hR114_161_a_b_4b_b:In-N-O-S,38.0,AB3C12D3_hR114_161_a_b_4b_b:In-N-O-S +mp-2647009,TbBH4,-4.4758388539,-0.3283951788,0.2198184588,0.2198184588,GGA,Imm2,AB4C_oI36_44_ac_3cde_ac:B-H-Tb,18.0,"Invalid WP multiplicities - AB4C_oI36_44_ac_3cd2e_ac:B-H-Tb, expected Tb3B3H16 to be TbBH4" +mp-863748,TbBS3,-6.263075194,-1.5184536997,0.037185812,0.037185812,GGA,Pna2_1,AB3C_oP20_33_a_3a_a:B-S-Tb,20.0,"Invalid WP multiplicities - AB3C_oP20_33_a_9a_a:B-S-Tb, expected TbBS9 to be TbBS3" +mp-2647157,TbB3H18C2S,-4.5969350439,-0.2635194009,0.1143269825,0.1143269825,GGA,P2_1/c,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Tb,100.0,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Tb +mp-1211754,K2NiC4(SO)4,-6.436079294,-1.0195359036,0.1947521084,0.1947521084,GGA+U,P2_1/c,A4B2CD4E4_mP30_14_2e_e_a_2e_2e:C-K-Ni-O-S,30.0,A4B2CD4E4_mP30_14_2e_e_a_2e_2e:C-K-Ni-O-S +mp-1193648,K2CS3O,-4.92680025,-0.8117285788,0.3959194254,0.3959194254,GGA,P2_1/c,AB2CD3_mP28_14_e_2e_e_3e:C-K-O-S,28.0,AB2CD3_mP28_14_e_2e_e_3e:C-K-O-S +mp-1180195,NiB20H24(C4N)2,-5.1965489756,0.4633730419,0.7561167098,0.7561167098,GGA,P2_1/c,A20B8C24D2E_mP110_14_10e_4e_12e_e_a:B-C-H-N-Ni,110.0,A20B8C24D2E_mP110_14_10e_4e_12e_e_a:B-C-H-N-Ni +mp-1193817,BH4C4N5,-7.1684595589,-0.1079286628,0.3282620296,0.3282620296,GGA,I4_1/a,AB4C4D5_tI56_88_a_f_f_bf:B-C-H-N,28.0,AB4C4D5_tI56_88_a_f_f_bf:B-C-H-N +mp-696210,BH5CN2,-5.8925760739,-0.3876119252,0.1956584185,0.1956584185,GGA,Pna2_1,ABC5D2_oP36_33_a_a_5a_2a:B-C-H-N,36.0,ABC5D2_oP36_33_a_a_5a_2a:B-C-H-N +mp-1203788,BH10C2N,-5.0241896211,-0.2098697546,0.180598035,0.180598035,GGA,P2_1/c,AB2C10D_mP56_14_e_2e_10e_e:B-C-H-N,56.0,AB2C10D_mP56_14_e_2e_10e_e:B-C-H-N +mp-1194718,BH17C5N2,-5.2488083546,-0.1619262807,0.2006783828,0.2006783828,GGA,P-1,AB5C17D2_aP50_2_i_5i_17i_2i:B-C-H-N,50.0,AB5C17D2_aP50_2_i_5i_17i_2i:B-C-H-N +mp-1199209,B3H20(CN)3,-5.1284168934,-0.2805487049,0.1533810768,0.1533810768,GGA,P2_1/c,A3B3C20D3_mP116_14_3e_3e_20e_3e:B-C-H-N,116.0,A3B3C20D3_mP116_14_3e_3e_20e_3e:B-C-H-N +mp-1201564,B6H13CN4,-5.5411920973,-0.2596739972,0.343089824,0.343089824,GGA,P-1,A6BC13D4_aP48_2_6i_i_13i_4i:B-C-H-N,48.0,A6BC13D4_aP48_2_6i_i_13i_4i:B-C-H-N +mp-705569,NiB18(H11C2)2,-5.3170650076,-0.0378689295,0.1722470751,0.1722470751,GGA,P2_1/c,A18B4C22D_mP180_14_18e_4e_22e_e:B-C-H-Ni,180.0,A18B4C22D_mP180_14_18e_4e_22e_e:B-C-H-Ni +mp-1201695,B20H30C3N2,-5.2368572925,-0.1508826907,0.167565864,0.167565864,GGA,P2_12_12_1,A20B3C30D2_oP220_19_20a_3a_30a_2a:B-C-H-N,220.0,A20B3C30D2_oP220_19_20a_3a_30a_2a:B-C-H-N +mp-600191,B5H15C3N,-5.1752457929,-0.1623149208,0.1781643501,0.1781643501,GGA,P2_1/c,A5B3C15D_mP192_14_10e_6e_30e_2e:B-C-H-N,192.0,"Invalid WP multiplicities - A5B3C15D_mP192_14_38e_23e_116e_5e:B-C-H-N, expected B38H116C23N5 to be B5H15C3N" +mp-567989,BH8CN,-4.92408328,-0.2525959574,0.128736275,0.128736275,GGA,Pnma,ABC8D_oP44_62_c_c_2c3d_c:B-C-H-N,44.0,"Invalid WP multiplicities - ABC8D_oP44_62_c_c_8c18d_c:B-C-H-N, expected BH44CN to be BH8CN" +mp-1182357,BH12C3N,-5.0878908976,-0.1811499733,0.2152290591,0.2152290591,GGA,R3m,AB3C12D_hR51_160_a_b_2bc_a:B-C-H-N,17.0,AB3C12D_hR51_160_a_b_2bc_a:B-C-H-N +mp-1228833,BH2CN,-6.376715576,-0.1707147203,0.5410267413000001,0.5410267413000001,GGA,P-1,ABC2D_aP30_2_3i_3i_6i_3i:B-C-H-N,30.0,ABC2D_aP30_2_3i_3i_6i_3i:B-C-H-N +mp-778993,V3Cu2P6WO24,-7.9644562944,-2.4197727975,0.030284804,0.030284804,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Cu-O-P-V-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Cu-O-P-V-W, expected V3Cu2P6WO60 to be V3Cu2P6WO24" +mp-754930,LiVCSO7,-7.42558643,-2.0633350414,0.0853520669,0.0853520669,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-S-V,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-S-V, expected LiVCSO13 to be LiVCSO7" +mp-769578,Li4V2C4SO16,-7.5029080687,-2.0954401123,0.0908826314,0.0908826314,GGA+U,F222,A4B4C16DE2_oF216_22_2k_efgh_8k_ac_k:C-Li-O-S-V,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_22_2k_2ef2g2h_18k_ac_k:C-Li-O-S-V, expected Li7V2C4SO36 to be Li4V2C4SO16" +mp-776347,Li4V2C4SO16,-7.5273609804,-2.1198930239,0.0664297197,0.0664297197,GGA+U,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:C-Li-O-S-V,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_3e4f_15h_a_d:C-Li-O-S-V, expected Li14V2C4SO60 to be Li4V2C4SO16" +mp-776436,Li6V2C4SO16,-7.3152770943,-2.1490881096,0.071695825,0.071695825,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:C-Li-O-S-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_2eg_a_d:C-Li-O-S-V, expected Li6V2C4SO20 to be Li6V2C4SO16" +mp-7984,KOsF6,-5.4527271562,-2.4768971335,0.0,-0.2093020392,GGA,R-3,A6BC_hR24_148_f_a_b:F-K-Os,8.0,A6BC_hR24_148_f_a_b:F-K-Os +mp-1105610,KOsNOF5,-6.0159116322,-2.1072066488,0.0,-0.0200028267,GGA,P2_1/m,A5BCDE_mP18_11_e2f_e_e_e_e:F-K-N-O-Os,18.0,A5BCDE_mP18_11_e2f_e_e_e_e:F-K-N-O-Os +mp-1212076,K3OsF6,-5.039238275,-2.4364944674,0.1616580076,0.1616580076,GGA,P-1,A6B3C_aP10_2_3i_bcd_a:F-K-Os,10.0,A6B3C_aP10_2_3i_bcd_a:F-K-Os +mp-733853,K2HI2ClO6,-4.6999981969,-1.3592543997,0.0,-0.0105566758,GGA,Pca2_1,ABC2D2E6_oP48_29_a_a_2a_2a_6a:Cl-H-I-K-O,48.0,ABC2D2E6_oP48_29_a_a_2a_2a_6a:Cl-H-I-K-O +mp-1179210,TeC2S2(IN2)2,-5.4600506732,0.5550628734,0.8127176944000001,0.8127176944000001,GGA,P1,A2B2C4D2E_aP22_1_4a_4a_8a_4a_2a:C-I-N-S-Te,22.0,A2B2C4D2E_aP22_1_4a_4a_8a_4a_2a:C-I-N-S-Te +mp-1192128,TeC2S2(IN2)2,-5.5283738105,0.4867397361,0.7443945571,0.7443945571,GGA,C2/c,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-I-N-S-Te,22.0,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-I-N-S-Te +mp-1179214,TeC16(I2N)2,-5.6962286113000005,1.8415283028,1.9599548251,1.9599548251,GGA,I4/mmm,A16B4C2D_tI46_139_2n_h_d_a:C-I-N-Te,23.0,A16B4C2D_tI46_139_2n_h_d_a:C-I-N-Te +mp-1179109,TeC6(I3N)2,-4.1973188162,1.4045803037,1.6054440663,1.6054440663,GGA,Pa-3,A6B6C2D_cP60_205_d_d_c_a:C-I-N-Te,60.0,A6B6C2D_cP60_205_d_d_c_a:C-I-N-Te +mp-541986,K2LaH4N5O17,-6.488505555,-1.4366472138,0.0040741677,0.0040741677,GGA,Fdd2,A4B2CD5E17_oF232_43_2b_b_a_a2b_a8b:H-K-La-N-O,58.0,A4B2CD5E17_oF232_43_2b_b_a_a2b_a8b:H-K-La-N-O +mp-1196445,K2LaN5O17,-6.5072652444,-1.1899457358,0.1735981018,0.1735981018,GGA,Fdd2,A2BC5D17_oF200_43_b_a_a2b_a8b:K-La-N-O,50.0,A2BC5D17_oF200_43_b_a_a2b_a8b:K-La-N-O +mp-680063,K3La2(NO3)9,-6.8983460732,-1.488778742,0.0,-0.025578121,GGA,P4_132,A3B2C9D27_cP164_213_d_c_de_d4e:K-La-N-O,164.0,"Invalid WP multiplicities - A3B2C9D27_cP164_213_d_c_10d9e_10d75e:K-La-N-O, expected K3La2(N7O40)12 to be K3La2(NO3)9" +mp-1194734,ScH12N3(OF2)3,-5.4698407002,-1.5352964458,0.1777732233,0.1777732233,GGA,R3c,A6B12C3D3E_hR150_161_2b_4b_b_b_a:F-H-N-O-Sc,50.0,A6B12C3D3E_hR150_161_2b_4b_b_b_a:F-H-N-O-Sc +mp-1203749,B5TeH5C,-5.3689678177,-0.1412544456,0.0401083708,0.0401083708,GGA,P-1,A5BC5D_aP48_2_10i_2i_10i_2i:B-C-H-Te,48.0,A5BC5D_aP48_2_10i_2i_10i_2i:B-C-H-Te +mp-1201814,B20Te2H9C4,-5.4426855984,0.4808470752,0.6251976117,0.6251976117,GGA,Pc,A20B4C9D2_mP70_7_20a_4a_9a_2a:B-C-H-Te,70.0,A20B4C9D2_mP70_7_20a_4a_9a_2a:B-C-H-Te +mp-707881,GeH12(NF2)4,-5.1080919048,-1.3491498314,0.0746083737,0.0746083737,GGA,Pccn,A8BC12D4_oP100_56_4e_c_6e_2e:F-Ge-H-N,100.0,A8BC12D4_oP100_56_4e_c_6e_2e:F-Ge-H-N +mp-1079742,GeN2OF6,-3.981313674,-0.2101556519,1.3844538205,1.3844538205,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Ge-N-O,10.0,A6BC2D_cF40_225_e_a_c_b:F-Ge-N-O +mp-695936,GeH10(N2F3)2,-5.228210364,-1.2584417064,0.0705374794,0.0705374794,GGA,P2_1/c,A6BC10D4_mP42_14_3e_a_5e_2e:F-Ge-H-N,42.0,A6BC10D4_mP42_14_3e_a_5e_2e:F-Ge-H-N +mp-703461,GeH8N2OF6,-5.1691218943,-1.566155862,0.0157101629,0.0157101629,GGA,Pnma,A6BC8D2E_oP72_62_2c2d_c_2c3d_d_c:F-Ge-H-N-O,72.0,A6BC8D2E_oP72_62_2c2d_c_2c3d_d_c:F-Ge-H-N-O +mp-1211659,K3Lu(BO3)2,-7.1032810637,-2.8623591329,0.0,-0.0335891721,GGA,Pnnm,A2B3CD6_oP24_58_g_ag_c_gh:B-K-Lu-O,24.0,A2B3CD6_oP24_58_g_ag_c_gh:B-K-Lu-O +mp-1181370,K3LuB2(PO7)2,-6.9253732091,-2.3212287603,0.251247829,0.251247829,GGA,R-3,A2B3CD14E2_hR66_148_c_ac_b_c2f_c:B-K-Lu-O-P,22.0,A2B3CD14E2_hR66_148_c_ac_b_c2f_c:B-K-Lu-O-P +mp-556764,K2UMo(IO6)2,-6.8316786382,-2.0169644577,0.0,-0.0056417907,GGA+U,P2_1/c,A2B2CD12E_mP72_14_2e_2e_e_12e_e:I-K-Mo-O-U,72.0,"Invalid WP multiplicities - A2B2CD12E_mP72_14_3e_5e_e_47e_e:I-K-Mo-O-U, expected K5UMoI3O47 to be K2UMo(IO6)2" +mp-542671,K2Mo(I2O7)2,-5.5116935126,-1.3110480192,0.0,-0.021163592,GGA+U,C2/c,A4B2CD14_mC84_15_2f_f_e_7f:I-K-Mo-O,42.0,A4B2CD14_mC84_15_2f_f_e_7f:I-K-Mo-O +mp-556136,KMoIO6,-6.4322754211,-1.6423256795,0.0,-0.0009627814,GGA+U,P2_1/c,ABCD6_mP36_14_e_e_e_6e:I-K-Mo-O,36.0,"Invalid WP multiplicities - ABCD6_mP36_14_e_e_e_18e:I-K-Mo-O, expected KMoIO18 to be KMoIO6" +mp-561060,KMoIO6,-6.4276090803,-1.6376593387,0.0046663408,0.0037035594,GGA+U,Pbca,ABCD6_oP72_61_c_c_c_6c:I-K-Mo-O,72.0,"Invalid WP multiplicities - ABCD6_oP72_61_c_c_c_41c:I-K-Mo-O, expected KMoIO41 to be KMoIO6" +mp-1181060,K5Mo6IO29,-6.7172051577000005,-1.4598091974,0.2521553864,0.2521553864,GGA+U,P-1,AB5C6D29_aP82_2_i_5i_6i_29i:I-K-Mo-O,82.0,AB5C6D29_aP82_2_i_5i_6i_29i:I-K-Mo-O +mp-1196769,K3MoIO13,-5.3018764208,-0.8598116127000001,0.3931390259,0.3931390259,GGA+U,P-1,AB3CD13_aP36_2_i_3i_i_13i:I-K-Mo-O,36.0,AB3CD13_aP36_2_i_3i_i_13i:I-K-Mo-O +mp-1198024,B8PH24PtC7,-5.2846334893,-0.1396175497,0.1070815964,0.1070815964,GGA,P2_1/c,A8B7C24DE_mP328_14_16e_14e_48e_2e_2e:B-C-H-P-Pt,328.0,A8B7C24DE_mP328_14_16e_14e_48e_2e_2e:B-C-H-P-Pt +mp-560412,GdP4H4NO12,-7.7039347874,-2.3858895189,0.0035596406,0.0035596406,GGA,P2_1/c,AB4CD12E4_mP88_14_e_4e_e_12e_4e:Gd-H-N-O-P,88.0,"Invalid WP multiplicities - AB4CD12E4_mP88_14_e_14e_e_46e_13e:Gd-H-N-O-P, expected GdP13H14NO46 to be GdP4H4NO12" +mp-510545,K2BeH4(SO5)2,-6.0629399308,-1.9960503631,0.0,-0.0162675555,GGA,P2_1/c,AB4C2D10E2_mP76_14_e_4e_2e_10e_2e:Be-H-K-O-S,76.0,"Invalid WP multiplicities - AB4C2D10E2_mP76_14_e_7e_2e_13e_2e:Be-H-K-O-S, expected K2BeH7S2O13 to be K2BeH4(SO5)2" +mp-732003,K3Be3B3P6O25,-7.4831072296,-2.7147411403,0.0485003277,0.0485003277,GGA,P4_332,A3B3C3D25E6_cP160_212_d_d_ac_b4e_e:B-Be-K-O-P,160.0,A3B3C3D25E6_cP160_212_d_d_ac_b4e_e:B-Be-K-O-P +mp-1212145,K3Be3B3P6O25,-7.4837042722,-2.715338183,0.047903285,0.047903285,GGA,P4_132,A3B3C3D25E6_cP160_213_d_d_ac_b4e_e:B-Be-K-O-P,160.0,"Invalid WP multiplicities - A3B3C3D25E6_cP160_213_d_d_ac_b8e_e:B-Be-K-O-P, expected K3Be3B3P6O49 to be K3Be3B3P6O25" +mp-709058,K3ErH9(C3O7)2,-6.4895026505,-1.5483182575,0.1890979662,0.1890979662,GGA,Cc,A6BC9D3E14_mC132_9_6a_a_9a_3a_14a:C-Er-H-K-O,66.0,A6BC9D3E14_mC132_9_6a_a_9a_3a_14a:C-Er-H-K-O +mp-756470,K2DyPCO7,-7.46662654,-2.7919287307,0.0200855406,0.0200855406,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Dy-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Dy-K-O-P, expected K2DyPCO13 to be K2DyPCO7" +mp-9807,KDy(CO3)2,-7.9643380925,-2.5788731886000003,0.0,-0.1069621024,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-Dy-K-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-Dy-K-O +mp-1523077,KYSnWO6,-7.897360212,-2.4748897707,0.1304856433,0.1304856433,GGA+U,F-43m,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sn-W-Y,10.0,AB6CDE_cF40_216_c_f_d_a_b:K-O-Sn-W-Y +mp-556463,KGe2BO6,-7.0306355735,-2.359037704,0.0025433441,0.0025433441,GGA,P2_12_12_1,AB2CD6_oP40_19_a_2a_a_6a:B-Ge-K-O,40.0,"Invalid WP multiplicities - AB2CD6_oP40_19_a_4a_a_21a:B-Ge-K-O, expected KGe4BO21 to be KGe2BO6" +mp-1201387,K2GeB4O11,-7.0062780503,-2.1187797916,0.2454295156,0.2454295156,GGA,Cc,A4BC2D11_mC72_9_4a_a_2a_11a:B-Ge-K-O,36.0,A4BC2D11_mC72_9_4a_a_2a_11a:B-Ge-K-O +mp-1203238,K4Ge2B8H2O19,-7.3425396157,-2.5455303795,0.0010576661,0.0010576661,GGA,C2/c,A8B2C2D4E19_mC140_15_4f_f_f_2f_e9f:B-Ge-H-K-O,70.0,A8B2C2D4E19_mC140_15_4f_f_f_2f_e9f:B-Ge-H-K-O +mp-560019,K2Ge3(BO5)2,-7.0471579974,-2.4050666966,0.0009076027,0.0009076027,GGA,C2,A2B3C2D10_mC68_5_2c_ab2c_2c_10c:B-Ge-K-O,34.0,"Invalid WP multiplicities - A2B3C2D10_mC68_5_4c_ab4c_4c_19c:B-Ge-K-O, expected K4Ge5B4O19 to be K2Ge3(BO5)2" +mp-566960,PdC2S2(O4F)2,-6.545974181,-1.5255355041,0.1664925517,0.1664925517,GGA,P2_1/c,A2B2C8DE2_mP60_14_2e_2e_8e_e_2e:C-F-O-Pd-S,60.0,"Invalid WP multiplicities - A2B2C8DE2_mP60_14_5e_5e_30e_e_5e:C-F-O-Pd-S, expected PdC5S5(O6F)5 to be PdC2S2(O4F)2" +mp-705486,U3Cu2H10(CO10)2,-7.2870584473,-2.0602744195,0.0203796525,0.0203796525,GGA,P-1,A2B2C10D20E3_aP37_2_i_i_5i_10i_ai:C-Cu-H-O-U,37.0,A2B2C10D20E3_aP37_2_i_i_5i_10i_ai:C-Cu-H-O-U +mp-555092,K3WS3ClO,-5.4530436689,-1.5092767752,0.1616188331,0.1616188331,GGA+U,Pca2_1,AB3CD3E_oP36_29_a_3a_a_3a_a:Cl-K-O-S-W,36.0,"Invalid WP multiplicities - AB3CD3E_oP36_29_a_8a_a_9a_a:Cl-K-O-S-W, expected K8WS9ClO to be K3WS3ClO" +mp-1211879,K2WS4,-5.7818582489,-1.2497543073,0.0,-0.0789885246,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:K-S-W,28.0,A2B4C_oP28_62_2c_2cd_c:K-S-W +mp-555210,K4W2Cl10O,-4.9946720294,-1.8305595848,0.0108825551,0.0108825551,GGA+U,I4/mmm,A10B4CD2_tI34_139_em_cd_a_e:Cl-K-O-W,17.0,"Invalid WP multiplicities - A10B4CD2_tI34_139_e2m_2c2d_a_e:Cl-K-O-W, expected K8W2Cl18O to be K4W2Cl10O" +mp-559294,K4WS3O14,-6.6792032172,-2.1763524182,0.0071670219,0.0071670219,GGA+U,P2_1/c,A4B14C3D_mP88_14_4e_14e_3e_e:K-O-S-W,88.0,"Invalid WP multiplicities - A4B14C3D_mP88_14_12e_53e_11e_e:K-O-S-W, expected K12WS11O53 to be K4WS3O14" +mp-557399,KSnSO4F,-6.0675086594,-2.1981768492,0.0073264894,0.0073264894,GGA,P-1,ABC4DE_aP16_2_i_i_4i_i_i:F-K-O-S-Sn,16.0,"Invalid WP multiplicities - ABC4DE_aP16_2_i_i_6i_i_i:F-K-O-S-Sn, expected KSnSO6F to be KSnSO4F" +mp-1235086,K2LiS2(O2F)2,-5.4070836491,-2.1332351696,0.1838833642,0.1838833642,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1235206,K2LiS2(O2F)2,-5.4023089555,-2.128460476,0.1886580579,0.1886580579,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1235317,K2LiS2(O2F)2,-5.3838460164,-2.1099975369,0.2071209969,0.2071209969,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1235337,K2LiS2(O2F)2,-5.3574219327,-2.0835734532,0.2335450806,0.2335450806,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1235506,K2LiS2(O2F)2,-5.3980378964,-2.1241894169,0.1929291169,0.1929291169,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1236214,K2LiS2(O2F)2,-5.3533731464,-2.0795246669,0.2375938669,0.2375938669,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1236687,K2LiS2(O2F)2,-5.3943235218,-2.1204750423,0.1966434915,0.1966434915,GGA,P1,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S,11.0,A2B2CD4E2_aP11_1_2a_2a_a_4a_2a:F-K-Li-O-S +mp-1235067,K2LiS2(O2F)2,-5.3428772791,-2.0690287996,0.2480897342,0.2480897342,GGA,Pm,A2B2CD4E2_mP11_6_ab_ab_a_2c_ab:F-K-Li-O-S,11.0,"Invalid WP multiplicities - A2B2CD4E2_mP11_6_ab_ab_a_3c_ab:F-K-Li-O-S, expected K2LiS2(O3F)2 to be K2LiS2(O2F)2" +mp-1235827,K2LiS2(O2F)2,-5.3460969564,-2.0722484769,0.2448700569,0.2448700569,GGA,Pm,A2B2CD4E2_mP11_6_ab_ab_a_2c_ab:F-K-Li-O-S,11.0,"Invalid WP multiplicities - A2B2CD4E2_mP11_6_ab_ab_a_3c_ab:F-K-Li-O-S, expected K2LiS2(O3F)2 to be K2LiS2(O2F)2" +mp-1236147,K2LiS2(O2F)2,-5.3484756391,-2.0746271596,0.2424913742,0.2424913742,GGA,Pm,A2B2CD4E2_mP11_6_ab_ab_a_2c_ab:F-K-Li-O-S,11.0,"Invalid WP multiplicities - A2B2CD4E2_mP11_6_ab_ab_a_3c_ab:F-K-Li-O-S, expected K2LiS2(O3F)2 to be K2LiS2(O2F)2" +mp-756981,K2SbPCO7,-6.9055353792,-2.2706530365,0.0,-0.0335521739,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Sb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Sb, expected K2SbPCO13 to be K2SbPCO7" +mp-756642,K3SbPCO7,-6.5136403388,-2.1498721035,0.0962401768,0.0962401768,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-Sb,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-K-O-P-Sb, expected K4SbPCO13 to be K3SbPCO7" +mp-756953,KSbPCO7,-7.0905612164,-2.1352712923,0.0824547582,0.0824547582,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-Sb,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-Sb, expected KSbPCO13 to be KSbPCO7" +mp-1195051,CdB6H12(N2O5)2,-6.6170154326,-1.6314148345,0.0,-0.0233883507,GGA,Fdd2,A6BC12D4E10_oF264_43_3b_a_6b_2b_5b:B-Cd-H-N-O,66.0,A6BC12D4E10_oF264_43_3b_a_6b_2b_5b:B-Cd-H-N-O +mp-1195283,CdB10H6O19,-7.4406952359,-2.38346609,0.0072327607,0.0072327607,GGA,P2_1/c,A10BC6D19_mP144_14_10e_e_6e_19e:B-Cd-H-O,144.0,A10BC6D19_mP144_14_10e_e_6e_19e:B-Cd-H-O +mp-553954,B4COF6,-6.5455626697,-2.1820797453,0.3018132947,0.3018132947,GGA,P2_1/c,A4BC6D_mP96_14_8e_2e_12e_2e:B-C-F-O,96.0,"Invalid WP multiplicities - A4BC6D_mP96_14_27e_7e_43e_5e:B-C-F-O, expected B27C7O5F43 to be B4COF6" +mp-1197938,Co3B7O13F,-8.0739237592,-2.4781267594,0.1029435207,0.1029435207,GGA+U,R3c,A7B3CD13_hR144_161_a2b_b_a_a4b:B-Co-F-O,48.0,A7B3CD13_hR144_161_a2b_b_a_a4b:B-Co-F-O +mp-562548,CoBC8(OF2)5,-6.7294113405,-1.470800671,0.3861900901,0.3861900901,GGA+U,P2_1/c,AB8CD10E5_mP100_14_e_8e_e_10e_5e:B-C-Co-F-O,100.0,"Invalid WP multiplicities - AB8CD10E5_mP100_14_e_29e_e_35e_19e:B-C-Co-F-O, expected CoBC29O19F35 to be CoBC8(OF2)5" +mp-729848,Mo3PW9N3O40,-8.3462211213,-1.6060343689,0.4095136449,0.4095136449,GGA+U,Pmn2_1,A3B3C40DE9_oP112_31_ab_3a_8a16b_a_a4b:Mo-N-O-P-W,112.0,A3B3C40DE9_oP112_31_ab_3a_8a16b_a_a4b:Mo-N-O-P-W +mp-1247512,MoWN3,-9.924415655,-0.161762632,0.3845433467,0.3845433467,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-W,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-W +mp-1190480,LuH9C5(NO4)2,-6.7536347824,-1.2558223053,0.1107307467,0.1107307467,GGA,C2,A5B9CD2E8_mC50_5_a2c_a4c_b_c_4c:C-H-Lu-N-O,25.0,A5B9CD2E8_mC50_5_a2c_a4c_b_c_4c:C-H-Lu-N-O +mp-1195652,LuH9C5(NO4)2,-6.762491024,-1.2646785469,0.1018745051,0.1018745051,GGA,C222_1,A5B9CD2E8_oC100_20_2abc_2ab3c_a_c_4c:C-H-Lu-N-O,50.0,A5B9CD2E8_oC100_20_2abc_2ab3c_a_c_4c:C-H-Lu-N-O +mp-769588,Li3V2S2(O4F3)2,-6.4712111243,-2.5088366496,0.0725024058,0.0725024058,GGA+U,P1,A6B3C8D2E2_aP42_1_12a_6a_16a_4a_4a:F-Li-O-S-V,42.0,A6B3C8D2E2_aP42_1_12a_6a_16a_4a_4a:F-Li-O-S-V +mp-769602,Li2VSO4F3,-6.4254910109,-2.5564552457,0.0865571266,0.0865571266,GGA+U,P2_1/c,A3B2C4DE_mP44_14_3e_2e_4e_e_ab:F-Li-O-S-V,44.0,"Invalid WP multiplicities - A3B2C4DE_mP44_14_5e_3e_7e_e_ad:F-Li-O-S-V, expected Li3VSO7F5 to be Li2VSO4F3" +mp-769603,LiVSO4F3,-6.5058045917000005,-2.4407575366,0.0478519897,0.0478519897,GGA+U,P1,A3BC4DE_aP40_1_12a_4a_16a_4a_4a:F-Li-O-S-V,40.0,A3BC4DE_aP40_1_12a_4a_16a_4a_4a:F-Li-O-S-V +mp-769601,LiVSO4F3,-6.501943692,-2.4368966369,0.0517128894,0.0517128894,GGA+U,Pc,A3BC4DE_mP40_7_6a_2a_8a_2a_2a:F-Li-O-S-V,40.0,A3BC4DE_mP40_7_6a_2a_8a_2a_2a:F-Li-O-S-V +mp-768092,LiVSO4F3,-6.4947681937,-2.4297211386,0.0588883877,0.0588883877,GGA+U,Pna2_1,A3BC4DE_oP40_33_3a_a_4a_a_a:F-Li-O-S-V,40.0,"Invalid WP multiplicities - A3BC4DE_oP40_33_9a_a_14a_a_a:F-Li-O-S-V, expected LiVSO14F9 to be LiVSO4F3" +mp-769600,LiV2S2(O4F3)2,-6.5002387892,-2.3217115137,0.0503518963,0.0503518963,GGA+U,Pc,A6BC8D2E2_mP38_7_6a_a_8a_2a_2a:F-Li-O-S-V,38.0,"Invalid WP multiplicities - A6BC8D2E2_mP38_7_10a_a_15a_2a_3a:F-Li-O-S-V, expected LiV3S2(O3F2)5 to be LiV2S2(O4F3)2" +mp-1223409,KSNO,-5.6376040844,-1.0050959718,0.3330704492,0.3330704492,GGA,P2_12_12_1,ABCD_oP16_19_a_a_a_a:K-N-O-S,16.0,ABCD_oP16_19_a_a_a_a:K-N-O-S +mp-727248,KSNO3,-5.9457446096,-1.2085096308,0.5346899058,0.5346899058,GGA,Pbcm,ABC3D_oP24_57_c_d_de_d:K-N-O-S,24.0,ABC3D_oP24_57_c_d_de_d:K-N-O-S +mp-1197439,K3S3NO11,-5.8038783915,-1.4432885476,0.5286654312,0.5286654312,GGA,Pnma,A3BC11D3_oP72_62_3c_c_5c3d_3c:K-N-O-S,72.0,A3BC11D3_oP72_62_3c_c_5c3d_3c:K-N-O-S +mp-1199802,CuSN4O5,-6.6043128695,-0.5756692520000001,0.4108590034,0.4108590034,GGA,Pnma,AB4C5D_oP44_62_c_2d_3cd_c:Cu-N-O-S,44.0,AB4C5D_oP44_62_c_2d_3cd_c:Cu-N-O-S +mp-1019784,K2SN2O5,-6.1982162923,-1.4218481755,0.2870571231,0.2870571231,GGA,Pnma,A2B2C5D_oP40_62_d_2c_3cd_c:K-N-O-S,40.0,A2B2C5D_oP40_62_d_2c_3cd_c:K-N-O-S +mp-560434,K2SN2O5,-6.1992960843,-1.4229279675,0.2859773311,0.2859773311,GGA,Pnma,A2B2C5D_oP40_62_d_2c_3cd_c:K-N-O-S,40.0,"Invalid WP multiplicities - A2B2C5D_oP40_62_d_4c_11c6d_c:K-N-O-S, expected K2SN4O23 to be K2SN2O5" +mp-1213485,CuS2(NO4)2,-6.7204828523,-1.4421285489,0.0,-0.1802049797,GGA,P-1,AB2C8D2_aP52_2_2i_be3i_16i_4i:Cu-N-O-S,52.0,AB2C8D2_aP52_2_2i_be3i_16i_4i:Cu-N-O-S +mp-1103291,CuSNO3,-5.4230565933,-0.1876869941,1.0221930547,1.0221930547,GGA,R-3m,ABC3D_hR36_166_c_c_h_c:Cu-N-O-S,12.0,ABC3D_hR36_166_c_c_h_c:Cu-N-O-S +mp-1193070,CuS2(N2O3)2,-5.3841167431,0.4157462086,1.5223045956,1.5223045956,GGA,P2_1/c,AB4C6D2_mP26_14_a_2e_3e_e:Cu-N-O-S,26.0,AB4C6D2_mP26_14_a_2e_3e_e:Cu-N-O-S +mp-1196719,CuS2(NO7)2,-5.7344124442,-0.5607946436,0.5015645444,0.5015645444,GGA,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Cu-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Cu-N-O-S +mp-1201891,CuS2(NO7)2,-5.4776953916,-0.304077591,0.7582815970000001,0.7582815970000001,GGA,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Cu-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Cu-N-O-S +mp-1199172,K9CuS8(NO9)2,-5.6827528842,-1.6591270216,0.2703993328,0.2703993328,GGA,I-42d,AB9C2D18E8_tI152_122_a_bcde_d_d4e_2e:Cu-K-N-O-S,76.0,AB9C2D18E8_tI152_122_a_bcde_d_d4e_2e:Cu-K-N-O-S +mp-721758,K2S2NO6,-6.1470294627,-1.7369999336,0.1646722881,0.1646722881,GGA,C2/c,A2BC6D2_mC44_15_f_e_3f_f:K-N-O-S,22.0,A2BC6D2_mC44_15_f_e_3f_f:K-N-O-S +mp-1193820,KSNO4,-6.2257760736,-1.458619133,0.2807077327,0.2807077327,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:K-N-O-S,28.0,ABC4D_oP28_19_a_a_4a_a:K-N-O-S +mp-555388,K2S2NO7,-6.1902307683,-1.7354796407,0.2078439892,0.2078439892,GGA,P-1,A2BC7D2_aP24_2_2i_i_7i_2i:K-N-O-S,24.0,"Invalid WP multiplicities - A2BC7D2_aP24_2_4i_i_14i_3i:K-N-O-S, expected K4S3NO14 to be K2S2NO7" +mp-1194810,UVH3O7,-7.7526523752,-2.3209594424,0.0416486205,0.0416486205,GGA+U,P2_1/c,A3B7CD_mP48_14_3e_7e_e_e:H-O-U-V,48.0,A3B7CD_mP48_14_3e_7e_e_e:H-O-U-V +mp-1215083,BaU2V2(HO3)4,-7.4513182232,-1.9465193749,0.7654991165,0.7654991165,GGA+U,Pbcn,AB4C12D2E2_oP84_60_c_2d_6d_d_d:Ba-H-O-U-V,84.0,AB4C12D2E2_oP84_60_c_2d_6d_d_d:Ba-H-O-U-V +mp-1200850,V3Se2NO12,-7.0692757447,-1.40592571,0.3563114149,0.3563114149,GGA+U,P6_3,AB12C2D3_hP36_173_b_4c_ab_c:N-O-Se-V,36.0,AB12C2D3_hP36_173_b_4c_ab_c:N-O-Se-V +mp-698100,VH5Se2NO7,-6.047570125,-1.2974029279,0.0510254786,0.0510254786,GGA+U,P2_1/m,A5BC7D2E_mP32_11_a2ef_e_e3f_f_e:H-N-O-Se-V,32.0,A5BC7D2E_mP32_11_a2ef_e_e3f_f_e:H-N-O-Se-V +mp-1201219,VH10SeNO9,-5.7849201543,-1.2683850941,0.1058596398,0.1058596398,GGA+U,P2_1,A10BC9DE_mP44_4_10a_a_9a_a_a:H-N-O-Se-V,44.0,A10BC9DE_mP44_4_10a_a_9a_a_a:H-N-O-Se-V +mp-1208013,TlV(SO4)2,-6.9159267508,-1.9748468641,0.0,-0.00670285,GGA+U,P321,A8B2CD_hP12_150_dg_d_a_b:O-S-Tl-V,12.0,A8B2CD_hP12_150_dg_d_a_b:O-S-Tl-V +mp-1192871,Tl2V(SO5)2,-6.4772985667,-1.7073666194,0.1206697767,0.1206697767,GGA+U,P2_1,A10B2C2D_mP30_4_10a_2a_2a_a:O-S-Tl-V,30.0,A10B2C2D_mP30_4_10a_2a_2a_a:O-S-Tl-V +mp-558147,TlVH6SO9,-6.0723041964,-1.6023289878,0.0143897673,0.0143897673,GGA+U,P2_1,A6B9CDE_mP36_4_6a_9a_a_a_a:H-O-S-Tl-V,36.0,"Invalid WP multiplicities - A6B9CDE_mP36_4_11a_14a_a_a_a:H-O-S-Tl-V, expected TlVH11SO14 to be TlVH6SO9" +mp-1203987,CoP3H33C11I,-5.0471096098,-0.1839081493,0.0785290745,0.0785290745,GGA,P2_1/c,A11BC33DE3_mP196_14_11e_e_33e_e_3e:C-Co-H-I-P,196.0,A11BC33DE3_mP196_14_11e_e_33e_e_3e:C-Co-H-I-P +mp-1246796,Y2Ni3N4,-7.7496183628,-0.6808036998,0.17561424,0.17561424,GGA,C2/c,A4B3C2_mC36_15_2f_ef_f:N-Ni-Y,18.0,A4B3C2_mC36_15_2f_ef_f:N-Ni-Y +mp-687239,K5YNi2(NO2)12,-6.5925783197,-1.0849145156,0.2122105815,0.2122105815,GGA+U,Pn-3,A5B12C2D24E_cP88_201_bd_h_c_2h_a:K-N-Ni-O-Y,88.0,"Invalid WP multiplicities - A5B12C2D24E_cP88_201_3b3d_h_c_26h_a:K-N-Ni-O-Y, expected K15YNi2(NO26)12 to be K5YNi2(NO2)12" +mp-1666895,K2CoH4(I2O7)2,-5.105084878,-1.1831997889,0.034644173,0.0311228159,GGA+U,P1,AB4C4D2E14_aP25_1_a_4a_4a_2a_14a:Co-H-I-K-O,50.0,AB4C4D2E14_aP25_1_a_4a_4a_2a_14a:Co-H-I-K-O +mp-1651906,K2CoH4(I2O7)2,-5.1088840111,-1.186998922,0.0308450399,0.0273236828,GGA+U,P2_1,AB4C4D2E14_mP50_4_a_4a_4a_2a_14a:Co-H-I-K-O,100.0,AB4C4D2E14_mC50_5_a_2c_2c_2b_2a6c:Co-H-I-K-O +mp-1223804,K2CoH4(I2O7)2,-5.139729051,-1.2178439619,0.0,-0.0035213571,GGA+U,C2,AB4C4D2E14_mC50_5_a_2c_2c_2b_2a6c:Co-H-I-K-O,50.0,AB4C4D2E14_mC50_5_a_2c_2c_2b_2a6c:Co-H-I-K-O +mp-1982329,K2CoH4(I2O7)2,-5.1243545859,-1.2024694968,0.0153744651,0.011853108,GGA+U,C2,AB4C4D2E14_mC50_5_a_2c_2c_2b_2a6c:Co-H-I-K-O,100.0,AB4C4D2E14_mC50_5_a_2c_2c_2b_2a6c:Co-H-I-K-O +mp-24211,CoH8(IO5)2,-5.1976001926,-1.0707551465,0.0836678269,0.0836678269,GGA+U,P2_1/c,AB8C2D10_mP42_14_a_4e_e_5e:Co-H-I-O,42.0,"Invalid WP multiplicities - AB8C2D10_mP42_14_a_11e_e_19e:Co-H-I-O, expected CoH22(IO19)2 to be CoH8(IO5)2" +mp-25486,CoH8(IO5)2,-5.2295654167,-1.1027203706,0.0517026029,0.0517026029,GGA+U,P2_1/c,AB8C2D10_mP42_14_a_4e_e_5e:Co-H-I-O,42.0,"Invalid WP multiplicities - AB8C2D10_mP42_14_a_5e_e_8e:Co-H-I-O, expected CoH10(IO8)2 to be CoH8(IO5)2" +mp-1211977,K2CoI4,-3.3029260543,-1.128271613,0.0,-0.0318945043,GGA,P2_1/m,AB4C2_mP14_11_e_2ef_2e:Co-I-K,14.0,AB4C2_mP14_11_e_2ef_2e:Co-I-K +mp-667424,P2Os4C15O13F6,-7.8773046504,-1.1287575461,0.3046014766,0.3046014766,GGA,C2/c,A15B6C13D4E2_mC320_15_15f_6f_13f_4f_2f:C-F-O-Os-P,160.0,"Invalid WP multiplicities - A15B6C13D4E2_mC320_15_58f_21f_48f_14f_3f:C-F-O-Os-P, expected P3Os14C58(O16F7)3 to be P2Os4C15O13F6" +mp-1195967,SrUP2(HO5)2,-7.1479531753,-2.1442126954,0.6895743646,0.6895743646,GGA,P-1,A2B10C2DE_aP32_2_2i_10i_2i_i_i:H-O-P-Sr-U,32.0,A2B10C2DE_aP32_2_2i_10i_2i_i_i:H-O-P-Sr-U +mp-772778,KHfPCO7,-8.3070757655,-2.8219505877,0.0055803228,0.0055803228,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Hf-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Hf-K-O-P, expected KHfPCO13 to be KHfPCO7" +mp-1182485,K4HfC8O21,-6.8975972157,-1.2473451071,0.7962584057000001,0.7962584057000001,GGA,P2_1/c,A8BC4D21_mP136_14_8e_e_4e_21e:C-Hf-K-O,136.0,A8BC4D21_mP136_14_8e_e_4e_21e:C-Hf-K-O +mp-1204255,K4HfC8O21,-7.045180841,-1.3949287323,0.6486747805,0.6486747805,GGA,P2_1/c,A8BC4D21_mP136_14_8e_e_4e_21e:C-Hf-K-O,136.0,A8BC4D21_mP136_14_8e_e_4e_21e:C-Hf-K-O +mp-9806,KGd(CO3)2,-8.8888094855,-2.5564110416,0.0,-0.1503981481,GGA,C2/c,A2BCD6_mC40_15_f_e_e_3f:C-Gd-K-O,20.0,A2BCD6_mC40_15_f_e_e_3f:C-Gd-K-O +mp-42089,K4Gd2C3O9F4,-7.9456819698,-2.8345023781,0.0092714285,0.0092714285,GGA,P2_1,A3B4C2D4E9_mP44_4_3a_4a_2a_4a_9a:C-F-Gd-K-O,44.0,"Invalid WP multiplicities - A3B4C2D4E9_mP44_4_4a_8a_4a_6a_17a:C-F-Gd-K-O, expected K6Gd4C4O17F8 to be K4Gd2C3O9F4" +mp-1224338,K4Gd2C3O9F4,-7.9429320336,-2.831752442,0.0120213647,0.0120213647,GGA,C2,A3B4C2D4E9_mC44_5_ac_2c_c_abc_a4c:C-F-Gd-K-O,22.0,"Invalid WP multiplicities - A3B4C2D4E9_mC44_5_a2c_2c_c_ab2c_a7c:C-F-Gd-K-O, expected K6Gd2C5O15F4 to be K4Gd2C3O9F4" +mp-672055,KGdCO3F2,-8.4418900509,-3.0571137074,0.0589323616,0.0251195653,GGA,P1,AB2CDE3_aP32_1_4a_8a_4a_4a_12a:C-F-Gd-K-O,32.0,AB2CDE3_aP32_1_4a_8a_4a_4a_12a:C-F-Gd-K-O +mp-554005,KGdCO3F2,-8.5008224125,-3.116046069,0.0,-0.0338127963,GGA,Fddd,AB2CDE3_oF128_70_e_h_f_e_eh:C-F-Gd-K-O,32.0,"Invalid WP multiplicities - AB2CDE3_oF128_70_e_h_f_e_3e3h:C-F-Gd-K-O, expected KGdCO9F2 to be KGdCO3F2" +mp-1178156,K2AsPCO7,-6.8774229679,-2.1983641948,0.0131839696,0.0131839696,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:As-C-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:As-C-K-O-P, expected K2AsPCO13 to be K2AsPCO7" +mp-667366,PRu5C16(O5F)3,-8.0096852385,-1.0252169721,0.2557596675,0.2557596675,GGA,P2_1/c,A16B3C15DE5_mP160_14_16e_3e_15e_e_5e:C-F-O-P-Ru,160.0,"Invalid WP multiplicities - A16B3C15DE5_mP160_14_62e_7e_58e_e_16e:C-F-O-P-Ru, expected PRu16C62O58F7 to be PRu5C16(O5F)3" +mp-667397,PRu4C15O14F3,-7.9616342333,-1.0446349383,0.2684339721,0.2684339721,GGA,P-1,A15B3C14DE4_aP148_2_30i_6i_28i_2i_8i:C-F-O-P-Ru,148.0,"Invalid WP multiplicities - A15B3C14DE4_aP148_2_60i_11i_56i_2i_15i:C-F-O-P-Ru, expected P2Ru15C60O56F11 to be PRu4C15O14F3" +mp-667356,PRuC4(OF)3,-7.2611736132,-1.2464344421,0.3679717923,0.3679717923,GGA,P2_1/c,A4B3C3DE_mP192_14_16e_12e_12e_4e_4e:C-F-O-P-Ru,192.0,"Invalid WP multiplicities - A4B3C3DE_mP192_14_62e_45e_44e_12e_15e:C-F-O-P-Ru, expected P12Ru15C62O44F45 to be PRuC4(OF)3" +mp-1219642,SbPNO5F,-6.7400093161,-1.7929291833,0.2245124894,0.2245124894,GGA,C2/m,ABC5DE_mC36_12_g_i_i2j_h_g:F-N-O-P-Sb,18.0,"Invalid WP multiplicities - ABC5DE_mC36_12_g_i_i4j_h_g:F-N-O-P-Sb, expected SbPNO9F to be SbPNO5F" +mp-1209084,SbPN2O4F,-5.9303221072,-0.6065968395,1.2617093624,1.2617093624,GGA,I4/m,AB2C4DE_tI36_87_e_h_i_d_e:F-N-O-P-Sb,18.0,AB2C4DE_tI36_87_e_h_i_d_e:F-N-O-P-Sb +mp-698446,H24PtC8(NF3)2,-5.1864263846,-0.5652618482,0.206198651,0.206198651,GGA,I4/m,A8B6C24D2E_tI82_87_i_eh_3i_d_a:C-F-H-N-Pt,41.0,A8B6C24D2E_tI82_87_i_eh_3i_d_a:C-F-H-N-Pt +mp-567511,H8PtCN8,-6.1837678583,-0.1207919376,0.1555084172,0.1555084172,GGA,P2_1/c,AB8C8D_mP72_14_e_8e_8e_e:C-H-N-Pt,72.0,"Invalid WP multiplicities - AB8C8D_mP72_14_e_29e_28e_e:C-H-N-Pt, expected H29PtCN28 to be H8PtCN8" +mp-1197326,KLuH8(CO3)4,-6.7158122392,-1.7524243803,0.0347610228,0.0347610228,GGA,I4_1/a,A4B8CDE12_tI104_88_f_2f_a_b_3f:C-H-K-Lu-O,52.0,A4B8CDE12_tI104_88_f_2f_a_b_3f:C-H-K-Lu-O +mp-865427,KSrCO3F,-6.8972959729,-2.7858526880000003,0.0,-0.0067211129,GGA,P-6m2,ABCD3E_hP7_187_c_b_f_j_a:C-F-K-O-Sr,7.0,ABCD3E_hP7_187_c_b_f_j_a:C-F-K-O-Sr +mp-680197,KAgC2(SN)2,-6.2424696733000005,-0.3241977334,0.0913475284,0.0913475284,GGA,Pbca,AB2CD2E2_oP64_61_c_2c_c_2c_2c:Ag-C-K-N-S,64.0,"Invalid WP multiplicities - AB2CD2E2_oP64_61_c_9c_c_12c_8c:Ag-C-K-N-S, expected KAgC9(S2N3)4 to be KAgC2(SN)2" +mp-557393,K3AgC4(SN)4,-6.3079560091,-0.4973188852,0.0437105074,0.0437105074,GGA,P2_1/c,AB4C3D4E4_mP64_14_e_4e_3e_4e_4e:Ag-C-K-N-S,64.0,"Invalid WP multiplicities - AB4C3D4E4_mP64_14_e_10e_7e_14e_14e:Ag-C-K-N-S, expected K7AgC10(SN)14 to be K3AgC4(SN)4" +mp-680232,K2AgC3(SN)3,-6.2846485646,-0.4381331687,0.0662578802,0.0662578802,GGA,P2_1/c,AB3C2D3E3_mP96_14_2e_6e_4e_6e_6e:Ag-C-K-N-S,96.0,"Invalid WP multiplicities - AB3C2D3E3_mP96_14_6e_21e_12e_23e_21e:Ag-C-K-N-S, expected K12Ag6C21S21N23 to be K2AgC3(SN)3" +mp-755605,TbCO3,-8.5037398375,-2.7631202922,0.0257062065,0.0257062065,GGA,P2_1/m,AB3C_mP20_11_2e_2e2f_2e:C-O-Tb,20.0,"Invalid WP multiplicities - AB3C_mP20_11_3e_4e3f_3e:C-O-Tb, expected Tb3C3O10 to be TbCO3" +mp-1192272,TbCO4,-8.0925338979,-2.4842361583,0.0610789154,0.0610789154,GGA,P2_12_12_1,AB4C_oP24_19_a_4a_a:C-O-Tb,24.0,AB4C_oP24_19_a_4a_a:C-O-Tb +mp-1199683,TbCO4,-8.1408886583,-2.5325909188,0.012724155,0.012724155,GGA,P-6,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Tb,108.0,AB4C_hP108_174_3j3k_ghi3j3k8l_3l:C-O-Tb +mp-772871,K2TbPCO7,-7.4654014321,-2.7884053511,0.0214844806,0.0214844806,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Tb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Tb, expected K2TbPCO13 to be K2TbPCO7" +mp-1211249,KTb(CO3)2,-7.964371749,-2.576148919,0.0,-0.1480939529,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Tb,20.0,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Tb +mp-8985,Ba2YC2(O2F)3,-7.7836816014,-3.1996586623,0.0,-0.0173758723,GGA,Pbcn,A2B2C3D6E_oP56_60_d_d_cd_3d_c:Ba-C-F-O-Y,56.0,A2B2C3D6E_oP56_60_d_d_cd_3d_c:Ba-C-F-O-Y +mp-1019793,K3La(PO4)2,-7.1863455711,-2.9958228104,0.0,-0.0418830351,GGA,P2_1/m,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-La-O-P,28.0,A3BC8D2_mP28_11_3e_e_4e2f_2e:K-La-O-P +mp-669435,KLaCO4,-6.9115059282,-1.9026735869,0.8784475099,0.8784475099,GGA,Pcca,ABCD4_oP28_54_c_c_c_cdf:C-K-La-O,28.0,"Invalid WP multiplicities - ABCD4_oP28_54_c_c_c_3c3d4f:C-K-La-O, expected KLaCO14 to be KLaCO4" +mp-1223532,KLaCO4,-7.7234694314,-2.7146370901,0.0664840067,0.0664840067,GGA,Pmmn,ABCD4_oP14_59_a_a_a_abe:C-K-La-O,14.0,ABCD4_oP14_59_a_a_a_abe:C-K-La-O +mp-1181157,KLaC4O11,-7.0798024456,-1.3518822194,0.7346961276,0.7346961276,GGA,P-1,A4BCD11_aP34_2_4i_i_i_11i:C-K-La-O,34.0,A4BCD11_aP34_2_4i_i_i_11i:C-K-La-O +mp-1380343,KLaC4O11,-5.7932388171,-0.0653185908,2.0212597561,2.0212597561,GGA,P-1,A4BCD11_aP34_2_4i_i_i_11i:C-K-La-O,34.0,A4BCD11_aP34_2_4i_i_i_11i:C-K-La-O +mp-540962,KLa(PO3)4,-7.7694957592,-2.9328357251,0.0,-0.0090267508,GGA,P2_1,ABC12D4_mP36_4_a_a_12a_4a:K-La-O-P,36.0,ABC12D4_mP36_4_a_a_12a_4a:K-La-O-P +mp-642350,KLa(PO3)4,-7.7085722786,-2.8719122445,0.0609234806,0.0518967297,GGA,Cmc2_1,ABC12D4_oC72_36_a_a_2a5b_2b:K-La-O-P,36.0,"Invalid WP multiplicities - ABC12D4_oC72_36_a_a_4a17b_7b:K-La-O-P, expected KLa(P7O19)2 to be KLa(PO3)4" +mp-866691,La2PC,-6.9990164863,-0.8705209340000001,0.0,-0.01736704,GGA,P1,AB2C_aP32_1_8a_16a_8a:C-La-P,32.0,AB2C_aP32_1_8a_16a_8a:C-La-P +mp-1178167,K2LaPCO7,-7.4881744917,-2.7860416603,0.0250177313,0.0250177313,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-La-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-K-La-O-P, expected K2LaPCO13 to be K2LaPCO7" +mp-24473,BePH4NO4,-6.4758974298,-1.8534547642,0.0,-0.0447012372,GGA,Pna2_1,AB4CD4E_oP44_33_a_4a_a_4a_a:Be-H-N-O-P,44.0,"Invalid WP multiplicities - AB4CD4E_oP44_33_a_8a_a_9a_a:Be-H-N-O-P, expected BePH8NO9 to be BePH4NO4" +mp-726947,BePNO4,-6.7603319832,-1.4351941058,0.8698626380000001,0.8698626380000001,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Be-N-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:Be-N-O-P +mp-1197425,Be2P3NO10,-7.28382501,-2.1886928045,0.384339393,0.384339393,GGA,C2/c,A2BC10D3_mC64_15_f_e_5f_ef:Be-N-O-P,32.0,A2BC10D3_mC64_15_f_e_5f_ef:Be-N-O-P +mp-1019545,Be(PN2)2,-7.740919334,-0.8963482514000001,0.0,-0.2075689832,GGA,R-3,AB4C2_hR126_148_f_4f_2f:Be-N-P,42.0,AB4C2_hR126_148_f_4f_2f:Be-N-P +mp-1229295,Be8P8H34N8O33,-6.3973665902,-1.7983875202,0.0362298568,0.0362298568,GGA,Ccc2,A8B34C8D33E8_oC364_37_4d_17d_ab2c2d_c16d_4d:Be-H-N-O-P,182.0,A8B34C8D33E8_oC364_37_4d_17d_ab2c2d_c16d_4d:Be-H-N-O-P +mp-849797,B6H10C2SBr,-5.2036822702,-0.2961612573,0.02313954,0.02313954,GGA,P2_12_12_1,A6BC2D10E_oP160_19_12a_2a_4a_20a_2a:B-Br-C-H-S,160.0,"Invalid WP multiplicities - A6BC2D10E_oP160_19_45a_5a_13a_77a_5a:B-Br-C-H-S, expected B45H77C13(SBr)5 to be B6H10C2SBr" +mp-707400,K2H17Ru2(SO6)4,-5.4358975855,-1.0744226003,0.48596148,0.48596148,GGA,P-1,A17B2C24D2E4_aP49_2_a8i_i_12i_i_2i:H-K-O-Ru-S,49.0,A17B2C24D2E4_aP49_2_a8i_i_12i_i_2i:H-K-O-Ru-S +mp-24538,K2H12Ru(SO7)2,-5.7149757177,-1.5299933092,0.0435688813,0.0435688813,GGA,P2_1/c,A12B2C14DE2_mP62_14_6e_e_7e_a_e:H-K-O-Ru-S,62.0,"Invalid WP multiplicities - A12B2C14DE2_mP62_14_9e_e_12e_a_e:H-K-O-Ru-S, expected K2H18Ru(SO12)2 to be K2H12Ru(SO7)2" +mp-19498,KCrPO4F,-7.5049995148,-2.7706266728,0.0,-0.03288662,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:Cr-F-K-O-P,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_2a_2a_2a_12a_2a:Cr-F-K-O-P, expected KCrPO6F to be KCrPO4F" +mp-2646946,ErBH4,-4.4249472233,-0.2886114299,0.2634710091,0.2634710091,GGA,Imm2,ABC4_oI36_44_ac_ac_3cde:B-Er-H,18.0,"Invalid WP multiplicities - ABC4_oI36_44_ac_ac_3cd2e:B-Er-H, expected Er3B3H16 to be ErBH4" +mp-1226663,Er9B5S21,-6.3479924123,-1.7373674023,0.0465741888,0.0465741888,GGA,R3,A5B9C21_hR210_146_4a2b_6b_14b:B-Er-S,70.0,"Invalid WP multiplicities - A5B9C21_hR210_146_4a2b_16b_34b:B-Er-S, expected Er24B5S51 to be Er9B5S21" +mp-2647152,ErB3H18C2S,-4.5921427787,-0.2613930273,0.1161693902,0.1161693902,GGA,P2_1/c,A3B2CD18E_mP100_14_3e_2e_e_18e_e:B-C-Er-H-S,100.0,A3B2CD18E_mP100_14_3e_2e_e_18e_e:B-C-Er-H-S +mp-557941,K4AsH5S3O16,-5.9539151741000005,-1.8980285052,0.0,-0.0129863729,GGA,P-1,AB5C4D16E3_aP58_2_i_5i_4i_16i_3i:As-H-K-O-S,58.0,"Invalid WP multiplicities - AB5C4D16E3_aP58_2_i_9i_7i_31i_4i:As-H-K-O-S, expected K7AsH9S4O31 to be K4AsH5S3O16" +mp-1195307,MnB2H17N3,-4.8286159741,-0.2544148274,0.0740148108,0.0740148108,GGA,Pnma,A2B17CD3_oP92_62_2c_5c6d_c_cd:B-H-Mn-N,92.0,A2B17CD3_oP92_62_2c_5c6d_c_cd:B-H-Mn-N +mp-1195203,MnB2(H7N)2,-4.7903523938,-0.2276180088,0.0809691435,0.0809691435,GGA,Pbca,A2B14CD2_oP152_61_2c_14c_c_2c:B-H-Mn-N,152.0,A2B14CD2_oP152_61_2c_14c_c_2c:B-H-Mn-N +mp-1203789,MnB4H24(C2N)2,-5.0508855246,-0.1682381168,0.1942095624,0.1942095624,GGA,I-42d,A4B4C24DE2_tI280_122_2e_2e_12e_d_2d:B-C-H-Mn-N,140.0,A4B4C24DE2_tI280_122_2e_2e_12e_d_2d:B-C-H-Mn-N +mp-1204268,CoB10H31C18O,-5.8287947168,-0.0888043812,0.1845695783,0.1845695783,GGA+U,P2_1/c,A10B18CD31E_mP244_14_10e_18e_e_31e_e:B-C-Co-H-O,244.0,A10B18CD31E_mP244_14_10e_18e_e_31e_e:B-C-Co-H-O +mp-776014,KV5Co(H8O11)2,-6.5004502971,-1.6838055091,0.0556371391,0.0556371391,GGA+U,P-1,AB16CD22E5_aP90_2_i_16i_i_22i_5i:Co-H-K-O-V,90.0,"Invalid WP multiplicities - AB16CD22E5_aP90_2_i_31i_i_43i_9i:Co-H-K-O-V, expected KV9CoH31O43 to be KV5Co(H8O11)2" +mp-1190373,K2V2CoO7,-7.4475229296,-2.2705438623,0.0,-0.0466837544,GGA+U,P-42_1m,AB2C7D2_tP24_113_a_e_cef_e:Co-K-O-V,24.0,AB2C7D2_tP24_113_a_e_cef_e:Co-K-O-V +mp-757855,V2Co(HO2)4,-6.9549862632,-1.7269500095,0.0613567785,0.0613567785,GGA+U,Pnma,AB4C8D2_oP60_62_c_2cd_2c3d_d:Co-H-O-V,60.0,"Invalid WP multiplicities - AB4C8D2_oP60_62_c_5c4d_6c11d_d:Co-H-O-V, expected V2CoH13O28 to be V2Co(HO2)4" +mp-767696,V2Co(H4O5)2,-6.417560854,-1.5659025013,0.0777606388,0.0777606388,GGA+U,C2/c,AB8C10D2_mC84_15_c_4f_5f_f:Co-H-O-V,42.0,"Invalid WP multiplicities - AB8C10D2_mC84_15_c_15f_15f_f:Co-H-O-V, expected V2Co(HO)30 to be V2Co(H4O5)2" +mp-1179723,V2Co(H4O5)2,-6.43206606,-1.5804077073,0.0632554329,0.0632554329,GGA+U,C2/c,AB8C10D2_mC84_15_c_4f_5f_f:Co-H-O-V,84.0,AB8C10D2_mC84_15_a_4f_5f_f:Co-H-O-V +mp-757858,V3Zn7H3SO19,-6.2986384288,-1.923740338,0.0080984102,0.0080984102,GGA+U,P6_3mc,A3B19CD3E7_hP66_186_c_b4cd_b_c_ad:H-O-S-V-Zn,66.0,"Invalid WP multiplicities - A3B19CD3E7_hP66_186_c_2b21c8d_b_c_a2d:H-O-S-V-Zn, expected V3Zn13H3SO113 to be V3Zn7H3SO19" +mp-555698,FeB2C6(O3F4)2,-7.1135871857,-1.8017279807,0.3116725835,0.3116725835,GGA+U,I4/m,A2B6C8DE6_tI46_87_d_eh_i_a_eh:B-C-F-Fe-O,23.0,"Invalid WP multiplicities - A2B6C8DE6_tI46_87_d_2e2h_i_a_2eh:B-C-F-Fe-O, expected FeB2C12(OF)8 to be FeB2C6(O3F4)2" +mp-704360,K6Na2V2S7O30,-6.5282848922,-2.1701770876,0.0015870658,0.0015870658,GGA+U,P4_32_12,A6B2C30D7E2_tP188_96_3b_b_15b_a3b_b:K-Na-O-S-V,188.0,"Invalid WP multiplicities - A6B2C30D7E2_tP188_96_16b_b_111b_3a19b_b:K-Na-O-S-V, expected K32Na2V2S41O222 to be K6Na2V2S7O30" +mp-8044,V2PC,-8.8883323212,-0.6858872865,0.0,-0.0093134601,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-P-V,8.0,ABC2_hP8_194_a_c_f:C-P-V +mp-1195743,V18P9C2,-8.7590884731,-0.8043518247,0.0,-0.0148670638,GGA,Pmma,A2B9C18_oP58_51_ef_e2i2j_ad3ef2i4j:C-P-V,58.0,A2B9C18_oP58_51_ef_e2i2j_ad3ef2i4j:C-P-V +mp-779752,Na5V2P(CO4)4,-7.395541778,-2.1721338329,0.0502930547,0.0502930547,GGA+U,Fdd2,A4B5C16DE2_oF224_43_2b_a2b_8b_a_b:C-Na-O-P-V,56.0,"Invalid WP multiplicities - A4B5C16DE2_oF224_43_4b_2a5b_20b_a_b:C-Na-O-P-V, expected Na12V2P(CO5)8 to be Na5V2P(CO4)4" +mp-778480,Na6V2P(CO4)4,-7.2833348569,-2.1944401066,0.0288266547,0.0288266547,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:C-Na-O-P-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:C-Na-O-P-V, expected Na6V2P(CO27)4 to be Na6V2P(CO4)4" +mp-768103,NaVPCO7,-7.7832160089,-2.3581959778,0.0398878495,0.0398878495,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-V,44.0,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-V +mp-769564,NaVPCO7,-7.786402853,-2.3613828219,0.0367010055,0.0367010055,GGA+U,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Na-O-P-V,44.0,ABC7DE_mP22_11_e_e_5ef_e_e:C-Na-O-P-V +mp-771332,Na3VPCO7,-7.1421163767,-2.3482493822,0.0377173599,0.0377173599,GGA+U,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Na-O-P-V,52.0,AB3C7DE_mP26_11_e_abe_5ef_e_e:C-Na-O-P-V +mp-769592,Na3VPCO7,-7.1674391869,-2.3735721924,0.0123945497,0.0123945497,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-V,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-V, expected Na4VPCO13 to be Na3VPCO7" +mp-1574416,Na3VPCO7,-7.1423217808,-2.3484547863,0.0375119559,0.0375119559,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ade_5ef_e_e:C-Na-O-P-V,52.0,AB3C7DE_mP26_11_e_abe_5ef_e_e:C-Na-O-P-V +mp-1080573,V3PC,-9.081261443,-0.7025242012,0.0053082972,0.0053082972,GGA,Cmcm,ABC3_oC20_63_a_c_cf:C-P-V,10.0,ABC3_oC20_63_a_c_cf:C-P-V +mp-782641,Na4V2P(CO4)4,-7.5001312669,-2.1322461865,0.081031802,0.081031802,GGA+U,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:C-Na-O-P-V,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_21h_a_d:C-Na-O-P-V, expected Na10V2P(CO21)4 to be Na4V2P(CO4)4" +mp-29634,V4P2C,-8.8290693424,-0.7732272301,0.0,-0.0172282782,GGA,P-62m,AB2C4_hP21_189_f_adg_2gj:C-P-V,21.0,AB2C4_hP21_189_f_adg_2gj:C-P-V +mp-769565,Na2VPCO7,-7.5125433879,-2.4293979183,0.0066817708,-0.024336303,GGA+U,P2_1,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Na-O-P-V,48.0,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Na-O-P-V +mp-770717,Na2VPCO7,-7.5192251588,-2.4360796892,0.0,-0.0310180738,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-V +mp-769629,Mn2V3P6WO24,-8.3985067686,-2.5725561260000003,0.0464740958,0.0464740958,GGA+U,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Mn-O-P-V-W,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Mn-O-P-V-W, expected Mn2V3P6WO60 to be Mn2V3P6WO24" +mp-1214126,Ca10VP5(O12F)2,-7.6244344226,-3.3684843177,0.0034844707,0.0034844707,GGA+U,Pm,A10B2C24D5E_mP42_6_3a3b2c_ab_6a6b6c_2a3b_a:Ca-F-O-P-V,42.0,A10B2C24D5E_mP42_6_3a3b2c_ab_6a6b6c_2a3b_a:Ca-F-O-P-V +mp-1227627,Ca10V3P3(O12F)2,-7.6971427581,-3.2664020073,0.0058361632,0.0058361632,GGA+U,P-6,A10B2C24D3E3_hP42_174_hijk_ab_2j2k2l_j_k:Ca-F-O-P-V,42.0,"Invalid WP multiplicities - A10B2C24D3E3_hP42_174_2hijk_ab_2j2k3l_j_k:Ca-F-O-P-V, expected Ca12V3P3(O15F)2 to be Ca10V3P3(O12F)2" +mp-556759,Ca5V3O12F,-7.8155689633,-3.1226422437,0.0,-0.0244649158,GGA+U,P-1,A5BC12D3_aP42_2_5i_i_12i_3i:Ca-F-O-V,42.0,"Invalid WP multiplicities - A5BC12D3_aP42_2_10i_i_24i_6i:Ca-F-O-V, expected Ca10V6O24F to be Ca5V3O12F" +mp-1233358,CaV6O11F,-8.4520762437,-2.5134398705,0.1994485092,0.1994485092,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V +mp-1233816,CaV6O11F,-8.4585363768,-2.5199000036,0.1929883761,0.1929883761,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V +mp-1234235,CaV6O11F,-8.45520341,-2.5165670368,0.1963213429,0.1963213429,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V +mp-1234598,CaV6O11F,-8.40822045,-2.4695840768,0.2433043029,0.2433043029,GGA+U,P1,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V,19.0,ABC11D6_aP19_1_a_a_11a_6a:Ca-F-O-V +mp-1233444,CaV6O11F,-8.4437544516,-2.5051180784,0.2077703013,0.2077703013,GGA+U,Amm2,ABC11D6_oC38_38_a_b_b2cdf_ab2c:Ca-F-O-V,19.0,"Invalid WP multiplicities - ABC11D6_oC38_38_a_b_b2c2d3f_ab4c:Ca-F-O-V, expected CaV10O21F to be CaV6O11F" +mp-1233659,CaV8(OF)8,-7.8529222432,-2.6712346484,0.254555724,0.254555724,GGA+U,P1,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V,25.0,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V +mp-1233734,CaV8(OF)8,-7.863521824,-2.6818342292,0.2439561432,0.2439561432,GGA+U,P1,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V,25.0,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V +mp-1234773,CaV8(OF)8,-7.86793853,-2.6862509352,0.2395394372,0.2395394372,GGA+U,P1,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V,25.0,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-O-V +mp-1179556,SiW12C16(NO10)4,-8.5023512449,-1.1078984118,0.5703017086000001,0.5703017086000001,GGA+U,I-4,A16B4C40DE12_tI146_82_4g_g_10g_a_3g:C-N-O-Si-W,73.0,A16B4C40DE12_tI146_82_4g_g_10g_a_3g:C-N-O-Si-W +mp-1197711,SiW12C16(NO10)4,-8.5779297268,-1.1834768937,0.4947232267,0.4947232267,GGA+U,I-4,A16B4C40DE12_tI146_82_4g_g_10g_a_3g:C-N-O-Si-W,73.0,A16B4C40DE12_tI146_82_4g_g_10g_a_3g:C-N-O-Si-W +mp-1223305,KZnH5(SO5)2,-5.7717179021,-1.7152147638000002,0.0082568994,0.0082568994,GGA,P1,A5BC10D2E_aP19_1_5a_a_10a_2a_a:H-K-O-S-Zn,19.0,A5BC10D2E_aP19_1_5a_a_10a_2a_a:H-K-O-S-Zn +mp-24366,K2ZnH12(SO7)2,-5.5581257048,-1.6316806811,0.0008156152,0.0008156152,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-S-Zn,62.0,"Invalid WP multiplicities - A12B2C14D2E_mP62_14_8e_e_12e_e_a:H-K-O-S-Zn, expected K2ZnH16(SO12)2 to be K2ZnH12(SO7)2" +mp-604789,K2ZnH12(SO7)2,-5.148989906,-1.2225448822,0.4099514141,0.4099514141,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-S-Zn,62.0,"Invalid WP multiplicities - A12B2C14D2E_mP62_14_22e_e_26e_e_a:H-K-O-S-Zn, expected K2ZnH44(SO26)2 to be K2ZnH12(SO7)2" +mp-655078,K2ZnH12(SO7)2,-5.0134297702,-1.0869847464,0.5455115499000001,0.5455115499000001,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-S-Zn,62.0,"Invalid WP multiplicities - A12B2C14D2E_mP62_14_22e_e_26e_e_a:H-K-O-S-Zn, expected K2ZnH44(SO26)2 to be K2ZnH12(SO7)2" +mp-1180986,K2ZnH12(SO7)2,-5.0438963918,-1.1174513681,0.5150449283,0.5150449283,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-S-Zn,62.0,"Invalid WP multiplicities - A12B2C14D2E_mP62_14_22e_e_26e_e_a:H-K-O-S-Zn, expected K2ZnH44(SO26)2 to be K2ZnH12(SO7)2" +mp-1181672,K2ZnH12(SO7)2,-5.2128692521,-1.2864242284,0.346072068,0.346072068,GGA,P2_1/c,A12B2C14D2E_mP62_14_6e_e_7e_e_a:H-K-O-S-Zn,62.0,"Invalid WP multiplicities - A12B2C14D2E_mP62_14_22e_e_26e_e_a:H-K-O-S-Zn, expected K2ZnH44(SO26)2 to be K2ZnH12(SO7)2" +mp-703836,K4ZnH6(S2O9)2,-5.6362619713,-1.6470531247,0.2455686266,0.2455686266,GGA,Pccn,A6B4C18D4E_oP132_56_3e_2e_9e_2e_c:H-K-O-S-Zn,132.0,A6B4C18D4E_oP132_56_3e_2e_9e_2e_c:H-K-O-S-Zn +mp-1247850,AgPH6(NF3)2,-5.1369491559,-1.5904442537,0.0334474882,0.0334474882,GGA,P1,AB6C6D2E_aP64_1_4a_24a_24a_8a_4a:Ag-F-H-N-P,64.0,AB6C6D2E_aP64_1_4a_24a_24a_8a_4a:Ag-F-H-N-P +mp-758989,P2HNF4,-5.7071308809,-1.9319131493,0.0444910983,0.0444910983,GGA,P2_1/c,A4BCD2_mP32_14_4e_e_e_2e:F-H-N-P,32.0,"Invalid WP multiplicities - A4BCD2_mP32_14_11e_e_e_7e:F-H-N-P, expected P7HNF11 to be P2HNF4" +mp-752833,PH2NF2,-5.4909700642,-1.4312688214,0.0902610872,0.0902610872,GGA,P2_1/c,A2B2CD_mP24_14_2e_2e_e_e:F-H-N-P,24.0,"Invalid WP multiplicities - A2B2CD_mP24_14_7e_7e_e_e:F-H-N-P, expected PH7NF7 to be PH2NF2" +mp-722832,PH3NF5,-5.3931584415,-2.0446214011,0.0,-0.0437423609,GGA,P2_1/c,A5B3CD_mP40_14_5e_3e_e_e:F-H-N-P,40.0,"Invalid WP multiplicities - A5B3CD_mP40_14_17e_9e_e_e:F-H-N-P, expected PH9NF17 to be PH3NF5" +mp-1012740,H6RuCI3N,-4.5617854929,-0.2604506365,0.1642215116,0.1642215116,GGA,P1,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Ru,48.0,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Ru +mp-1097840,H6RuCI3N,-4.5347585696,-0.2334237131,0.1912484349,0.1912484349,GGA,P1,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Ru,48.0,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Ru +mp-995236,GeH6CI3N,-4.3634790004,-0.449758701,0.0517695439,0.0517695439,GGA,P1,ABC6D3E_aP48_1_4a_4a_24a_12a_4a:C-Ge-H-I-N,48.0,ABC6D3E_aP48_1_4a_4a_24a_12a_4a:C-Ge-H-I-N +mp-1214690,Be3B3P6N3O25,-7.2294550554,-1.9191317678,0.5612619968,0.5612619968,GGA,P4_132,A3B3C3D25E6_cP160_213_d_d_ac_b4e_e:B-Be-N-O-P,160.0,"Invalid WP multiplicities - A3B3C3D25E6_cP160_213_d_d_ac_b8e_e:B-Be-N-O-P, expected Be3B3P6N3O49 to be Be3B3P6N3O25" +mp-1211633,K2TcH9,-3.9456167594,-0.3526191558,0.0,-0.2599707594,GGA,P-62m,A9B2C_hP36_189_fikl_fg_ad:H-K-Tc,36.0,A9B2C_hP36_189_fikl_fg_ad:H-K-Tc +mp-722674,K4Tc2H6C8O21,-7.0488888943,-1.6042787278,0.1286357109,0.1286357109,GGA,P-1,A8B6C4D21E2_aP82_2_8i_6i_4i_21i_2i:C-H-K-O-Tc,82.0,A8B6C4D21E2_aP82_2_8i_6i_4i_21i_2i:C-H-K-O-Tc +mp-733876,P2H4RhO9,-6.4738865403,-1.7062605738,0.1373236091,0.1373236091,GGA,C2,A4B9C2D_mC64_5_4c_9c_2c_c:H-O-P-Rh,32.0,A4B9C2D_mC64_5_4c_9c_2c_c:H-O-P-Rh +mp-1199623,P2H12Rh(CO)4,-5.7289362402,-0.7026300559,0.1402076472,0.1402076472,GGA,C2/c,A4B12C4D2E_mC184_15_4f_12f_4f_2ef_f:C-H-O-P-Rh,92.0,A4B12C4D2E_mC184_15_4f_12f_4f_2ef_f:C-H-O-P-Rh +mp-1196367,UAs2H12(C3O2)4,-6.8128380779,-0.765985079,0.2206379234,0.2206379234,GGA,P2_1/c,A2B12C12D8E_mP140_14_2e_12e_12e_8e_e:As-C-H-O-U,140.0,A2B12C12D8E_mP140_14_2e_12e_12e_8e_e:As-C-H-O-U +mp-1203714,KNdH2S2O9,-6.6502232823,-2.286416842,0.0115060577,0.0115060577,GGA,P2_1/c,A2BCD9E2_mP60_14_2e_e_e_9e_2e:H-K-Nd-O-S,60.0,A2BCD9E2_mP60_14_2e_e_e_9e_2e:H-K-Nd-O-S +mp-759958,AsH3C(SF2)3,-4.8413498414,-1.4167651673,0.1238969641,0.1238969641,GGA,P-1,ABC6D3E3_aP84_2_ac2i_3i_18i_9i_9i:As-C-F-H-S,84.0,"Invalid WP multiplicities - ABC6D3E3_aP84_2_ac3i_5i_35i_17i_17i:As-C-F-H-S, expected As4H17C5S17F35 to be AsH3C(SF2)3" +mp-561235,AsCSF11,-4.8983837318,-2.1090621313,0.0940252634,0.0940252634,GGA,P2_1/c,ABC11D_mP56_14_e_e_11e_e:As-C-F-S,56.0,"Invalid WP multiplicities - ABC11D_mP56_14_e_e_39e_e:As-C-F-S, expected AsCSF39 to be AsCSF11" +mp-727093,CuC9S2NF10,-5.9127777787,-0.5701090641000001,0.6738969188,0.6738969188,GGA,C2/c,A9BC10DE2_mC92_15_e4f_e_5f_e_f:C-Cu-F-N-S,46.0,A9BC10DE2_mC92_15_e4f_e_5f_e_f:C-Cu-F-N-S +mp-555513,CS2NF5,-5.1029716356,-1.1701433035,0.3870592018,0.3870592018,GGA,P-1,AB5CD2_aP18_2_i_5i_i_2i:C-F-N-S,18.0,"Invalid WP multiplicities - AB5CD2_aP18_2_i_8i_i_2i:C-F-N-S, expected CS2NF8 to be CS2NF5" +mp-1198330,CuC32(NF2)8,-7.4819711705,-0.5224602002000001,0.2434606537,0.2434606537,GGA,P-1,A32BC16D8_aP57_2_16i_a_8i_4i:C-Cu-F-N,57.0,A32BC16D8_aP57_2_16i_a_8i_4i:C-Cu-F-N +mp-562018,CSNF5,-5.1000041778,-1.1926285376,0.5161123973,0.5161123973,GGA,Pnma,AB5CD_oP32_62_c_3cd_c_c:C-F-N-S,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_c_10c4d_c_c:C-F-N-S, expected CSNF18 to be CSNF5" +mp-556223,CSNF5,-5.1933616284,-1.2859859882,0.4227549467,0.4227549467,GGA,Pnma,AB5CD_oP32_62_c_3cd_c_c:C-F-N-S,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_c_10c4d_c_c:C-F-N-S, expected CSNF18 to be CSNF5" +mp-1212590,Pr2P3H5WO9,-6.9857456247,-1.9735617304,0.3238974675,0.3238974675,GGA+U,P2_1/c,A5B9C3D2E_mP80_14_5e_9e_3e_2e_e:H-O-P-Pr-W,80.0,A5B9C3D2E_mP80_14_5e_9e_3e_2e_e:H-O-P-Pr-W +mp-1237531,Pr2P3H5WO9,-6.9726614405,-1.9604775462,0.3369816517,0.3369816517,GGA+U,P2_1/c,A5B9C3D2E_mP80_14_5e_9e_3e_2e_e:H-O-P-Pr-W,80.0,A5B9C3D2E_mP80_14_5e_9e_3e_2e_e:H-O-P-Pr-W +mp-1193866,YbPH5CO7,-6.4097896773,-1.8916545118,0.0856339185,0.0856339185,GGA,P-1,AB5C7DE_aP30_2_i_5i_7i_i_i:C-H-O-P-Yb,,AB5C7DE_aP30_2_i_5i_7i_i_i:C-H-O-P-Yb +mp-710509,VH21C7N4Cl7,-5.1600367231,-0.3795980285,0.2876898995,0.2876898995,GGA,C2/c,A7B7C21D4E_mC320_15_7f_7f_21f_2e3f_f:C-Cl-H-N-V,160.0,A7B7C21D4E_mC320_15_7f_7f_21f_2e3f_f:C-Cl-H-N-V +mp-720859,VH11N3Cl5,-4.9219775669,-0.8891745349,0.0284835889,0.0284835889,GGA,Pnma,A5B11C3D_oP80_62_3cd_c5d_cd_c:Cl-H-N-V,80.0,A5B11C3D_oP80_62_3cd_c5d_cd_c:Cl-H-N-V +mp-736386,VH24C4N4Cl7,-4.9680474936,-0.6253042576,0.0658316922,0.0658316922,GGA,P2/c,A4B7C24D4E_mP160_13_4g_ef6g_24g_4g_ad:C-Cl-H-N-V,160.0,A4B7C24D4E_mP160_13_4g_ef6g_24g_4g_ad:C-Cl-H-N-V +mp-706688,VH8C10N3Cl4,-6.5067365614,-0.3176596088,0.2470723268,0.2470723268,GGA,P2_1/c,A10B4C8D3E_mP104_14_10e_4e_8e_3e_e:C-Cl-H-N-V,104.0,A10B4C8D3E_mP104_14_10e_4e_8e_3e_e:C-Cl-H-N-V +mp-1205195,VH24(C2N)4,-5.518547603,-0.1757196357,0.1628161433,0.1628161433,GGA,P-1,A8B24C4D_aP148_2_16i_48i_8i_2i:C-H-N-V,148.0,A8B24C4D_aP148_2_16i_48i_8i_2i:C-H-N-V +mp-1189134,KNaW(OF2)2,-6.31614225,-2.6572147208,0.0630850913,0.0630850913,GGA+U,P4/nmm,A4BCD2E_tP18_129_j_a_c_2c_c:F-K-Na-O-W,18.0,A4BCD2E_tP18_129_j_a_c_2c_c:F-K-Na-O-W +mp-1196656,PtC2S2(O4F)2,-6.6429181145000005,-1.5630626702,0.1158317483,0.1158317483,GGA,P2_1/c,A2B2C8DE2_mP60_14_2e_2e_8e_e_2e:C-F-O-Pt-S,60.0,A2B2C8DE2_mP60_14_2e_2e_8e_e_2e:C-F-O-Pt-S +mp-1200138,PtC8(SF3)4,-6.0659242482,-1.2905640747,0.1361858029,0.1361858029,GGA,P2_1/c,A8B12CD4_mP50_14_4e_6e_a_2e:C-F-Pt-S,50.0,A8B12CD4_mP50_14_4e_6e_a_2e:C-F-Pt-S +mp-772819,K3CuPCO7,-6.5002189096,-2.1387425643,0.0267257823,0.0267257823,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-K-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cu-K-O-P, expected K4CuPCO13 to be K3CuPCO7" +mp-754351,K2CuPCO7,-6.6841743821,-2.0517749203,0.0085014497,0.0085014497,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cu-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Cu-K-O-P, expected K2CuPCO13 to be K2CuPCO7" +mp-1223526,KBaB(PO4)2,-7.5908336581,-2.9670736303,0.0,-0.0133222264,GGA,Cc,ABCD8E2_mC52_9_a_a_a_8a_2a:B-Ba-K-O-P,26.0,"Invalid WP multiplicities - ABCD8E2_mC52_9_a_a_a_16a_4a:B-Ba-K-O-P, expected KBaB(PO4)4 to be KBaB(PO4)2" +mp-1181484,FeH24C6(IO3)2,-5.1633168849,-0.6019244692,0.117397289,0.117397289,GGA+U,P-3,A6BC24D2E6_hP39_147_g_a_4g_d_g:C-Fe-H-I-O,39.0,"Invalid WP multiplicities - A6BC24D2E6_aP39_2_6i_a_24i_i_6i:C-Fe-H-I-O, expected FeH48C12(IO6)2 to be FeH24C6(IO3)2" +mp-25414,LiPWCO7,-8.0546449136,-2.2241138159,0.0771488816,0.0771488816,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-W,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_12a_a_a:C-Li-O-P-W, expected LiPWCO12 to be LiPWCO7" +mp-25404,Li3PWCO7,-7.3251382346,-2.0979314802,0.2722401615,0.2722401615,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-P-W,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_e2f_8e2f_e_e:C-Li-O-P-W, expected Li5PWCO12 to be Li3PWCO7" +mp-25398,Li2PWCO7,-7.7414432125,-2.2377128007,0.1011068588,0.1011068588,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-W,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_8e3f_e_e:C-Li-O-P-W, expected Li2PWCO14 to be Li2PWCO7" +mp-1195834,La2B5H7(C2O7)2,-7.5562324934,-2.1441587651,0.0531722271,0.0531722271,GGA,Cc,A5B4C7D2E14_mC128_9_5a_4a_7a_2a_14a:B-C-H-La-O,64.0,A5B4C7D2E14_mC128_9_5a_4a_7a_2a_14a:B-C-H-La-O +mp-1195180,La2B5H9C4O15,-7.355219592,-2.0718338746,0.0478852441,0.0478852441,GGA,Cc,A5B4C9D2E15_mC140_9_5a_4a_9a_2a_15a:B-C-H-La-O,70.0,A5B4C9D2E15_mC140_9_5a_4a_9a_2a_15a:B-C-H-La-O +mp-1201418,Na2YPWO8,-7.9552759337,-2.7970863854,0.0075337698,0.0075337698,GGA+U,Ibca,A2B8CDE_oI104_73_f_4f_c_d_c:Na-O-P-W-Y,52.0,A2B8CDE_oI104_73_f_4f_c_d_c:Na-O-P-W-Y +mp-645301,K2CoP2WO10,-7.5993574864,-2.4380613586,0.0,-0.0154264984,GGA+U,P4_12_12,AB2C10D2E_tP64_92_a_b_5b_b_a:Co-K-O-P-W,64.0,"Invalid WP multiplicities - AB2C10D2E_tP64_92_a_b_34b_b_a:Co-K-O-P-W, expected K2CoP2WO68 to be K2CoP2WO10" +mp-1220998,NaH4IO7,-4.8617568862,-0.9391709783,0.1653599563,0.1653599563,GGA,P1,A4BCD7_aP13_1_4a_a_a_7a:H-I-Na-O,13.0,A4BCD7_aP13_1_4a_a_a_7a:H-I-Na-O +mp-1193007,NaVH2I2O9,-5.7302676823,-1.4196800454,0.0117012036,0.0117012036,GGA+U,P2_1,A2B2CD9E_mP30_4_2a_2a_a_9a_a:H-I-Na-O-V,30.0,A2B2CD9E_mP30_4_2a_2a_a_9a_a:H-I-Na-O-V +mp-743514,Na3VH11IO13,-5.0348191569,-1.0295850865,0.4603955166,0.4553076528,GGA+U,P-1,A11BC3D13E_aP58_2_11i_i_3i_13i_i:H-I-Na-O-V,58.0,A11BC3D13E_aP58_2_11i_i_3i_13i_i:H-I-Na-O-V +mp-1205476,Na3VH11IO13,-5.4952146734,-1.489980603,0.0,-0.0050878638,GGA+U,P-1,A11BC3D13E_aP58_2_11i_i_3i_13i_i:H-I-Na-O-V,58.0,A11BC3D13E_aP58_2_11i_i_3i_13i_i:H-I-Na-O-V +mp-723093,Na5H29(IO12)2,-5.0414998487,-1.263684123,0.0550077753,0.0550077753,GGA,P-1,A29B2C5D24_aP60_2_a14i_i_c2i_12i:H-I-Na-O,60.0,A29B2C5D24_aP60_2_a14i_i_c2i_12i:H-I-Na-O +mp-1180812,Na3VIO13,-5.3462025986,-0.9666580682,0.2504529374,0.2504529374,GGA+U,P-1,AB3C13D_aP36_2_i_3i_13i_i:I-Na-O-V,36.0,AB3C13D_aP36_2_i_3i_13i_i:I-Na-O-V +mp-1203585,Na3VIO13,-5.1773403717,-0.7977958413,0.4193151644,0.4193151644,GGA+U,P-1,AB3C13D_aP36_2_i_3i_13i_i:I-Na-O-V,36.0,AB3C13D_aP36_2_i_3i_13i_i:I-Na-O-V +mp-696512,NaH4IO2,-4.601116945,-1.3185952893,0.0141860481,0.0141860481,GGA,P-1,A4BCD2_aP16_2_4i_i_i_2i:H-I-Na-O,16.0,A4BCD2_aP16_2_4i_i_i_2i:H-I-Na-O +mp-641595,Fe21(WC3)2,-8.9146725072,0.0218343488,0.0386201797,0.0386201797,GGA,Fm-3m,A6B21C2_cF116_225_e_afh_c:C-Fe-W,29.0,"Invalid WP multiplicities - A6B21C2_cF116_225_e_a5f4h_c:C-Fe-W, expected Fe89(WC3)2 to be Fe21(WC3)2" +mp-20696,Fe3W3C,-10.5261688414,-0.0242945825,0.0372736103,0.0372736103,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Fe-W,28.0,"Invalid WP multiplicities - AB3C3_cF112_227_c_2d2e_f:C-Fe-W, expected Fe6W3C to be Fe3W3C" +mp-624243,Fe6W6C,-10.6546096681,-0.0547962733,0.0,-0.0199643133,GGA,Fd-3m,AB6C6_cF104_227_a_de_f:C-Fe-W,26.0,"Invalid WP multiplicities - AB6C6_cF104_227_a_2d2e_f:C-Fe-W, expected Fe12W6C to be Fe6W6C" +mp-1196849,Fe3W10C3,-11.2181968006,0.1991383498,0.2594297339,0.2594297339,GGA,P6_3/mmc,A3B3C10_hP32_194_g_h_ahk:C-Fe-W,32.0,A3B3C10_hP32_194_g_h_ahk:C-Fe-W +mp-650029,Fe3WC14(SO7)2,-7.8470241685,-0.6383167436,0.6439781589,0.6439781589,GGA+U,C2/m,A14B3C14D2E_mC136_12_2i6j_ij_2i6j_2i_i:C-Fe-O-S-W,68.0,"Invalid WP multiplicities - A14B3C14D2E_mC136_12_4i24j_2i2j_3i22j_3i_i:C-Fe-O-S-W, expected Fe6WC52S3O47 to be Fe3WC14(SO7)2" +mp-504619,Fe2W2C,-10.282373914,0.1346197605,0.2020569502,0.2020569502,GGA,Fd-3m,AB2C2_cF120_227_ac_de_f:C-Fe-W,30.0,AB2C2_cF120_227_ac_de_f:C-Fe-W +mp-1207842,VCdPHO6,-6.7093414315,-1.8600457666,0.3718849538,0.3718849538,GGA+U,P2_1,ABC6DE_mP20_4_a_a_6a_a_a:Cd-H-O-P-V,20.0,ABC6DE_mP20_4_a_a_6a_a_a:Cd-H-O-P-V +mp-559316,CsV(SO4)2,-7.0121877412,-2.1933779191,0.0,-0.0538837951,GGA+U,P-3,AB8C2D_hP12_147_a_dg_d_b:Cs-O-S-V,48.0,AB8C2D_hP12_147_a_dg_d_b:Cs-O-S-V +mp-1070912,CsV2S2O,-6.8893321317,-1.5088649722,0.1261161941,0.1261161941,GGA+U,P4/mmm,ABC2D2_tP6_123_a_b_h_e:Cs-O-S-V,6.0,ABC2D2_tP6_123_a_b_h_e:Cs-O-S-V +mp-727512,CsVH24(SO10)2,-5.6402420792,-1.5025044234,0.0073805717,0.0073805717,GGA+U,Pa-3,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-V,192.0,AB24C20D2E_cP192_205_a_4d_c3d_c_b:Cs-H-O-S-V +mp-572287,Cs4V2S4O3,-5.7904280485,-1.7030982616,0.1194196629,0.1194196629,GGA+U,Pnma,A4B3C4D2_oP52_62_4c_cd_2d_d:Cs-O-S-V,52.0,"Invalid WP multiplicities - A4B3C4D2_oP52_62_13c_3c3d_9d_d:Cs-O-S-V, expected Cs13V2(S2O)9 to be Cs4V2S4O3" +mp-1198002,Cs2VS5O,-5.2955427581,-1.2395817736,0.1479477781,0.1479477781,GGA+U,P2_1/c,A2BC5D_mP36_14_2e_e_5e_e:Cs-O-S-V,36.0,A2BC5D_mP36_14_2e_e_5e_e:Cs-O-S-V +mp-573231,CsVSO6,-7.0757753619,-2.2095652979,0.0068515518,-0.0492240312,GGA+U,P2_1/c,AB6CD_mP72_14_2e_12e_2e_2e:Cs-O-S-V,72.0,"Invalid WP multiplicities - AB6CD_mP72_14_3e_46e_4e_4e:Cs-O-S-V, expected Cs3V4(S2O23)2 to be CsVSO6" +mp-1181965,CsVSO6,-7.0826269138,-2.2164168497,0.0,-0.056075583,GGA+U,Pbca,AB6CD_oP72_61_c_6c_c_c:Cs-O-S-V,72.0,"Invalid WP multiplicities - AB6CD_oP72_61_c_44c_c_c:Cs-O-S-V, expected CsVSO44 to be CsVSO6" +mp-1204461,CsVSO6,-7.0820829556,-2.2158728915,0.0005439582,-0.0555316248,GGA+U,Pbca,AB6CD_oP72_61_c_6c_c_c:Cs-O-S-V,72.0,AB6CD_oP72_61_c_6c_c_c:Cs-O-S-V +mp-1147638,CsVC6,-7.2711345175,0.8977781571000001,1.0542777845,1.0542777845,GGA,Pm-3m,A6BC_cP8_221_e_b_a:C-Cs-V,8.0,A6BC_cP8_221_e_b_a:C-Cs-V +mp-743986,CsVH12(C2O7)2,-6.4224527225,-1.5205675691,0.0233634005,0.0233634005,GGA+U,C2,A4BC12D14E_mC64_5_2c_a_6c_7c_b:C-Cs-H-O-V,32.0,A4BC12D14E_mC64_12_j_a_2i2j_3i2j_c:C-Cs-H-O-V +mp-698264,CsVH12(C2O7)2,-6.4263292772,-1.5244441238,0.0194868459,0.0194868459,GGA+U,C2/m,A4BC12D14E_mC64_12_j_a_2i2j_3i2j_d:C-Cs-H-O-V,128.0,A4BC12D14E_mC64_12_j_a_2i2j_3i2j_d:C-Cs-H-O-V +mp-1195162,Ba3V2H12(C5O14)2,-7.1447109595,-1.7732311715,0.0937892351,0.0937892351,GGA+U,C2/c,A3B10C12D28E2_mC220_15_ef_5f_6f_14f_f:Ba-C-H-O-V,110.0,A3B10C12D28E2_mC220_15_ef_5f_6f_14f_f:Ba-C-H-O-V +mp-1198771,VZnH14(O2F)4,-5.3999793596,-1.6477922214,0.0031413493,0.0031413493,GGA+U,P-1,A4B14C8DE_aP112_2_8i_28i_16i_2i_abcg:F-H-O-V-Zn,112.0,A4B14C8DE_aP112_2_8i_28i_16i_2i_abcg:F-H-O-V-Zn +mp-720713,V2P2H6PbO14,-6.8178608538,-1.9251783558,0.0936380014,0.0936380014,GGA+U,Cc,A6B14C2DE2_mC100_9_6a_14a_2a_a_2a:H-O-P-Pb-V,50.0,A6B14C2DE2_mC100_9_6a_14a_2a_a_2a:H-O-P-Pb-V +mp-1179451,V2P2H6PbO14,-6.8368256414,-1.9441431434,0.0746732138,0.0746732138,GGA+U,Cc,A6B14C2DE2_mC100_9_6a_14a_2a_a_2a:H-O-P-Pb-V,50.0,A6B14C2DE2_mC100_9_6a_14a_2a_a_2a:H-O-P-Pb-V +mp-1216861,VNO6F,-5.2840456617000005,0.161733475,1.5437003984,1.5437003984,GGA+U,P222_1,ABC6D_oP36_17_ab_cd_ab5e_ab:F-N-O-V,36.0,ABC6D_oP36_17_ab_cd_ab5e_ab:F-N-O-V +mp-1207948,VAsNO4F,-6.6881179489,-1.2158987973,0.6579139722,0.6579139722,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:As-F-N-O-V,64.0,ABCD4E_oP64_33_2a_2a_2a_8a_2a:As-F-N-O-V +mp-1200774,V2As3N2O17,-6.0473721552,-0.5093777679,1.0458360833,1.0458360833,GGA+U,C2/m,A3B2C17D2_mC96_12_g2i_j_5i6j_j:As-N-O-V,48.0,A3B2C17D2_mC96_12_g2i_j_5i6j_j:As-N-O-V +mp-1178891,VN(OF)2,-6.6195628767,-1.4301068179,0.651876087,0.651876087,GGA+U,Pc,A2BC2D_mP24_7_4a_2a_4a_2a:F-N-O-V,24.0,A2BC2D_mP24_7_4a_2a_4a_2a:F-N-O-V +mp-1192023,VN(OF)2,-6.7031837804,-1.5137277217,0.5682551832,0.5682551832,GGA+U,Pc,A2BC2D_mP24_7_4a_2a_4a_2a:F-N-O-V,24.0,A2BC2D_mP24_7_4a_2a_4a_2a:F-N-O-V +mp-1079224,V3AsN,-8.874642348,-0.82517604,0.0283620142,0.0283620142,GGA,Cmcm,ABC3_oC20_63_c_a_cf:As-N-V,10.0,ABC3_oC20_63_c_a_cf:As-N-V +mp-1218622,Sr4CeSm3Nb2(CuO5)4,-7.6284628291,-2.8525795245000003,0.0445852752,0.0445852752,GGA,P4mm,AB4C2D20E3F4_tP34_99_a_2a2b_ab_2a2b8c_a2b_2a2b:Ce-Cu-Nb-O-Sm-Sr,34.0,"Invalid WP multiplicities - AB4C2D20E3F4_tP34_99_a_2a2b_ab_2a2b15c_a2b_2a2b:Ce-Cu-Nb-O-Sm-Sr, expected Sr4CeSm3Nb2(Cu2O17)2 to be Sr4CeSm3Nb2(CuO5)4" +mp-18490,Sr2SmNb(CuO4)2,-7.4186697464,-2.706469667,0.013347559,0.013347559,GGA,I4/mcm,A2BC8DE2_tI56_140_f_c_fhl_b_g:Cu-Nb-O-Sm-Sr,28.0,A2BC8DE2_tI56_140_f_c_fhl_b_g:Cu-Nb-O-Sm-Sr +mp-2220676,Ba6MgNb2Ir(ClO6)2,-7.2026700538,-2.8188153952,0.1719189554,0.1719189554,GGA,P1,A6B2CDE2F12_aP24_1_6a_2a_a_a_2a_12a:Ba-Cl-Ir-Mg-Nb-O,24.0,A6B2CDE2F12_aP24_1_6a_2a_a_a_2a_12a:Ba-Cl-Ir-Mg-Nb-O +mp-2220391,Ba6MgNb2Ir(ClO6)2,-7.2410962758,-2.8572416173,0.1334927334,0.1334927334,GGA,P-1,A6B2CDE2F12_aP24_2_3i_i_a_d_i_6i:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_aP24_2_5i_i_a_d_i_11i:Ba-Cl-Ir-Mg-Nb-O, expected Ba10MgNb2Ir(ClO11)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1233107,Ba6MgNb2Ir(ClO6)2,-7.1415531196,-2.757698461,0.2330358896,0.2330358896,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO10)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1234659,Ba6MgNb2Ir(ClO6)2,-7.2030300404,-2.8191753819,0.1715589688,0.1715589688,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO10)2 to be Ba6MgNb2Ir(ClO6)2" +mp-2216297,Ba6MgNb2Ir(ClO6)2,-7.1512265717,-2.7673719131,0.2233624375,0.2233624375,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO10)2 to be Ba6MgNb2Ir(ClO6)2" +mp-2216178,Ba6MgNb2Ir(ClO6)2,-7.2177889658,-2.8339343073,0.1568000434,0.1568000434,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO10)2 to be Ba6MgNb2Ir(ClO6)2" +mp-2216432,Ba6MgNb2Ir(ClO6)2,-7.2409544004,-2.8570997419,0.1336346088,0.1336346088,GGA,C2/m,A6B2CDE2F12_mC48_12_3i_i_a_b_i_2i2j:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_aP24_2_5i_i_a_d_i_11i:Ba-Cl-Ir-Mg-Nb-O, expected Ba10MgNb2Ir(ClO11)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1233279,Ba6MgNb2Ir(ClO6)2,-7.1128292446,-2.728974586,0.2617597646,0.2617597646,GGA,P3m1,A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_4d:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_10d:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO15)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1234047,Ba6MgNb2Ir(ClO6)2,-7.1193145246,-2.735459866,0.2552744846,0.2552744846,GGA,P3m1,A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_4d:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a7b:Ba-Cl-Ir-Mg-Nb-O, expected Ba6MgNb2Ir(ClO9)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1234510,Ba6MgNb2Ir(ClO6)2,-7.1278410387,-2.7439863802,0.2467479704,0.2467479704,GGA,P-3m1,A6B2CDE2F12_hP24_164_3d_d_a_b_c_2i:Ba-Cl-Ir-Mg-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_hP24_164_5d_d_a_b_c_7i:Ba-Cl-Ir-Mg-Nb-O, expected Ba10MgNb2Ir(ClO21)2 to be Ba6MgNb2Ir(ClO6)2" +mp-1228736,Ba5NbIr4O15,-7.469255479,-2.2992455939,0.0050897786,0.0050897786,GGA,P-1,A5B4CD15_aP100_2_10i_ac7i_2i_30i:Ba-Ir-Nb-O,100.0,"Invalid WP multiplicities - A5B4CD15_aP100_2_20i_ac13i_3i_60i:Ba-Ir-Nb-O, expected Ba20Nb3(Ir7O30)2 to be Ba5NbIr4O15" +mp-558113,Ba6Nb2Ir(ClO6)2,-7.4356082217,-2.9307285802000003,0.0050209457,0.0050209457,GGA,P-3m1,A6B2CD2E12_hP23_164_3d_d_a_c_2i:Ba-Cl-Ir-Nb-O,23.0,"Invalid WP multiplicities - A6B2CD2E12_hP23_164_5d_d_a_c_7i:Ba-Cl-Ir-Nb-O, expected Ba10Nb2Ir(ClO21)2 to be Ba6Nb2Ir(ClO6)2" +mp-1096113,MgNbIr2,-4.747548995,2.5970643675,3.0889898153,3.0889898153,GGA,Immm,A2BC_oI8_71_e_a_b:Ir-Mg-Nb,4.0,A2BC_oI8_71_e_a_b:Ir-Mg-Nb +mp-1147590,La2Nb4Cu(ClO7)2,-8.275194267,-2.7392309488,0.1762418624,0.1762418624,GGA,P4/mmm,A2BC2D4E14_tP23_123_e_b_f_gh_acghr:Cl-Cu-La-Nb-O,23.0,"Invalid WP multiplicities - A2BC2D4E14_tP23_123_e_b_f_2g2h_ac2g2h3r:Cl-Cu-La-Nb-O, expected La2Nb8Cu(ClO17)2 to be La2Nb4Cu(ClO7)2" +mp-1222940,LaNb2CuClO7,-8.2754195908,-2.7993211330000003,0.058501472,0.058501472,GGA,Pmm2,ABCD2E7_oP12_25_b_a_d_e_c2ef:Cl-Cu-La-Nb-O,12.0,"Invalid WP multiplicities - ABCD2E7_oP12_25_b_a_d_e_c3e2f:Cl-Cu-La-Nb-O, expected LaNb2CuClO11 to be LaNb2CuClO7" +mp-1198693,LaNb2CuClO7,-8.2944116396,-2.8183131818,0.0395094232,0.0395094232,GGA,Pbam,ABCD2E7_oP48_55_g_g_h_i_efh2i:Cl-Cu-La-Nb-O,48.0,ABCD2E7_oP48_55_g_g_h_i_efh2i:Cl-Cu-La-Nb-O +mp-669354,LaNb2CuClO7,-8.2683223308,-2.792223873,0.065598732,0.065598732,GGA,P4/mmm,ABCD2E7_tP12_123_c_a_d_g_bgi:Cl-Cu-La-Nb-O,12.0,"Invalid WP multiplicities - ABCD2E7_tP12_123_c_a_d_g_b2g3i:Cl-Cu-La-Nb-O, expected LaNb2CuClO17 to be LaNb2CuClO7" +mp-2228066,LaMgNb2CuClO7,-7.9531565846,-2.7751980043,0.2046084476,0.2046084476,GGA,Pmm2,ABCDE2F7_oP13_25_c_b_c_a_2b_2a3b2d:Cl-Cu-La-Mg-Nb-O,13.0,ABCDE2F7_oP13_25_c_b_c_a_2b_2a3b2d:Cl-Cu-La-Mg-Nb-O +mp-2227680,LaMgNb2CuClO7,-7.8620281331,-2.6840695528,0.2957368991,0.2957368991,GGA,P4mm,ABCDE2F7_tP13_99_a_b_a_a_2b_3b2c:Cl-Cu-La-Mg-Nb-O,13.0,"Invalid WP multiplicities - ABCDE2F7_tP13_99_a_b_a_a_2b_3b4c:Cl-Cu-La-Mg-Nb-O, expected LaMgNb2CuClO11 to be LaMgNb2CuClO7" +mp-6879,Ba2CaCu2HgO6,-5.6841593567,-2.0153447123,0.0175867676,0.0175867676,GGA,P4/mmm,A2BC2DE6_tP12_123_h_c_g_b_gi:Ba-Ca-Cu-Hg-O,12.0,A2BC2DE6_tP12_123_h_c_g_b_gi:Ba-Ca-Cu-Hg-O +mp-1229082,Ba6Ca12Cu15Hg3O37,-5.9078834058,-2.058463246,0.0252369894,0.0252369894,GGA,C2/m,A6B12C15D3E37_mC146_12_3i_6i_c7i_bi_af3i7j:Ba-Ca-Cu-Hg-O,73.0,"Invalid WP multiplicities - A6B12C15D3E37_mC146_12_5i_10i_c13i_bi_a2f6i26j:Ba-Ca-Cu-Hg-O, expected Ba10Ca20Cu27Hg3O121 to be Ba6Ca12Cu15Hg3O37" +mp-1228265,Ba4Ca4Cu6Hg2O17,-5.7778019121,-1.9900865145,0.0616574183,0.0616574183,GGA,I4/mmm,A4B4C6D2E17_tI66_139_2e_2e_dg_c_afgm:Ba-Ca-Cu-Hg-O,33.0,"Invalid WP multiplicities - A4B4C6D2E17_tI66_139_4e_4e_dg_c_afgm:Ba-Ca-Cu-Hg-O, expected Ba8Ca8Cu6Hg2O17 to be Ba4Ca4Cu6Hg2O17" +mp-1229281,Ba6Ca15Cu18Hg3O43,-5.9368051806,-2.0661907855,0.0258982719,0.0258982719,GGA,C2/m,A6B15C18D3E43_mC170_12_3i_c7i_9i_ai_b3i9j:Ba-Ca-Cu-Hg-O,85.0,"Invalid WP multiplicities - A6B15C18D3E43_mC170_12_5i_c12i_18i_ai_b6i36j:Ba-Ca-Cu-Hg-O, expected Ba10Ca25Cu36Hg3O157 to be Ba6Ca15Cu18Hg3O43" +mp-1214691,Ba2CaCu(HgO3)2,-5.10210587,-1.7495850844,0.2735037072,0.2735037072,GGA,P4/mmm,A2BCD2E6_tP12_123_h_c_b_g_gi:Ba-Ca-Cu-Hg-O,12.0,A2BCD2E6_tP12_123_h_c_b_g_gi:Ba-Ca-Cu-Hg-O +mp-1228161,Ba6Ca3Cu6Hg3O19,-5.6885609368,-1.9852091554,0.040676225,0.040676225,GGA,C2/m,A6B3C6D3E19_mC74_12_3i_ci_3i_ai_b3i3j:Ba-Ca-Cu-Hg-O,37.0,"Invalid WP multiplicities - A6B3C6D3E19_mC74_12_5i_c2i_6i_ai_b6i12j:Ba-Ca-Cu-Hg-O, expected Ba10Ca5Cu12Hg3O61 to be Ba6Ca3Cu6Hg3O19" +mp-1183530,CaEuHg2,-3.76606735,-0.5485767475000001,0.0045386525,0.0045386525,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Eu-Hg,4.0,ABC2_cF16_225_a_b_c:Ca-Eu-Hg +mp-1228579,Ba2Ca3Cu4HgO10,-5.858542505,-2.0574353211,0.0195719903,0.0195719903,GGA,P4/mmm,A2B3C4DE10_tP20_123_g_ag_2h_d_h2i:Ba-Ca-Cu-Hg-O,20.0,A2B3C4DE10_tP20_123_g_ag_2h_d_h2i:Ba-Ca-Cu-Hg-O +mp-1097359,BaCaHg2,-0.3267622925,0.806221595,1.34879941,1.34879941,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Hg,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Hg +mp-1214738,Ba2EuCu2HgO7,-6.3520929954,-1.9502571212,0.10216714,0.10216714,GGA,P4/mmm,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Eu-Hg-O,13.0,A2B2CDE7_tP13_123_g_h_b_c_ahi:Ba-Cu-Eu-Hg-O +mp-1212953,Eu2HgO4,-8.25742022,-2.4567861043,0.0008183666,0.0008183666,GGA,C2/m,A2BC4_mC28_12_2i_i_4i:Eu-Hg-O,14.0,A2BC4_mC28_12_2i_i_4i:Eu-Hg-O +mp-22601,Ba2Ca2Cu3HgO8,-5.7943290562000005,-2.0428315747,0.0176472999,0.0176472999,GGA,P4/mmm,A2B2C3DE8_tP16_123_h_h_bg_a_egi:Ba-Ca-Cu-Hg-O,16.0,A2B2C3DE8_tP16_123_h_h_bg_a_egi:Ba-Ca-Cu-Hg-O +mp-1229139,Ba10Ca5Cu10Hg5O31,-5.6902845461,-2.0005211465,0.0281364698,0.0281364698,GGA,P-1,A10B5C10D5E31_aP61_2_5i_b2i_5i_d2i_c15i:Ba-Ca-Cu-Hg-O,61.0,"Invalid WP multiplicities - A10B5C10D5E31_aP61_2_9i_b3i_10i_d4i_c30i:Ba-Ca-Cu-Hg-O, expected Ba18Ca7Cu20Hg9O61 to be Ba10Ca5Cu10Hg5O31" +mp-1228371,Ba8Ca4Cu8Hg4O25,-5.6920757347,-1.9971820277,0.0304289281,0.0304289281,GGA,C2/m,A8B4C8D4E25_mC98_12_4i_2i_2j_j_a4i4j:Ba-Ca-Cu-Hg-O,49.0,"Invalid WP multiplicities - A8B4C8D4E25_mC98_12_8i_4i_4j_j_a8i8j:Ba-Ca-Cu-Hg-O, expected Ba16Ca8Cu16Hg4O49 to be Ba8Ca4Cu8Hg4O25" +mp-1228760,Ba6Ca6Cu9Hg3O25,-5.7982986241,-2.0224094848,0.0321866739,0.0321866739,GGA,C2/m,A6B6C9D3E25_mC98_12_3i_3i_c4i_bi_af3i4j:Ba-Ca-Cu-Hg-O,49.0,"Invalid WP multiplicities - A6B6C9D3E25_mC98_12_6i_6i_c8i_bi_a2f6i13j:Ba-Ca-Cu-Hg-O, expected Ba12Ca12Cu17(HgO23)3 to be Ba6Ca6Cu9Hg3O25" +mp-1379759,Ba4CaCu6(HgO8)2,-5.4024209434,-1.4703133652,0.2376790732,0.2376790732,GGA,Pmm2,A4BC6D2E16_oP29_25_2b2d_b_3e_e_3a3c2e3f:Ba-Ca-Cu-Hg-O,29.0,A4BC6D2E16_oP29_25_2b2d_b_3e_e_3a3c2e3f:Ba-Ca-Cu-Hg-O +mp-1228635,Ba6CaEu2Cu6(HgO7)3,-6.1124770397,-1.9222155738,0.1125393992,0.1125393992,GGA,C2/m,A6BC6D2E3F21_mC78_12_3i_c_3i_i_ai_b4i3j:Ba-Ca-Cu-Eu-Hg-O,39.0,"Invalid WP multiplicities - A6BC6D2E3F21_mC78_12_6i_c_6i_i_a2i_b7i11j:Ba-Ca-Cu-Eu-Hg-O, expected Ba12CaEu2Cu12Hg5O59 to be Ba6CaEu2Cu6(HgO7)3" +mp-1184359,EuHgO3,-6.493105982,-1.4129563223,0.4351047005,0.4351047005,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Eu-Hg-O,5.0,ABC3_cP5_221_a_b_c:Eu-Hg-O +mp-1209092,SNO3F,-5.3169701954,-0.4462218799,0.9924015825,0.9924015825,GGA,Pnma,ABC3D_oP24_62_c_c_cd_c:F-N-O-S,24.0,ABC3D_oP24_62_c_c_cd_c:F-N-O-S +mp-1219531,S3N2O3F,-5.9847428922,-0.8920890531000001,0.1767984173,0.1767984173,GGA,P2_1/c,AB2C3D3_mP36_14_e_2e_3e_3e:F-N-O-S,36.0,AB2C3D3_mP36_14_e_2e_3e_3e:F-N-O-S +mp-556512,S4N3O2F,-5.8573734845,-0.5213594212,0.2121826188,0.2121826188,GGA,P2_1/c,AB3C2D4_mP40_14_e_3e_2e_4e:F-N-O-S,40.0,"Invalid WP multiplicities - AB3C2D4_mP40_14_e_6e_8e_15e:F-N-O-S, expected S15N6O8F to be S4N3O2F" +mp-1219612,S5N2O2F,-5.4126511057,-0.4966415483,0.2369004918,0.2369004918,GGA,C2/c,AB2C2D5_mC80_15_f_2f_2f_5f:F-N-O-S,40.0,AB2C2D5_mC80_15_f_2f_2f_5f:F-N-O-S +mp-1188569,S2N(O2F)2,-5.8015105206,-1.3327208051,0.2750951786,0.2750951786,GGA,P2_1,A2BC4D2_mP18_4_2a_a_4a_2a:F-N-O-S,18.0,A2BC4D2_mP18_4_2a_a_4a_2a:F-N-O-S +mp-555707,S4N2O3F,-5.8340177165,-0.8369842746,0.1250144487,0.1250144487,GGA,P2_1/c,AB2C3D4_mP40_14_e_2e_3e_4e:F-N-O-S,40.0,"Invalid WP multiplicities - AB2C3D4_mP40_14_e_4e_6e_13e:F-N-O-S, expected S13N4O6F to be S4N2O3F" +mp-555436,S5N2(O2F)4,-5.8674155342,-1.4161173898,0.128181642,0.128181642,GGA,P2_1/c,A4B2C8D5_mP76_14_4e_2e_8e_5e:F-N-O-S,76.0,"Invalid WP multiplicities - A4B2C8D5_mP76_14_11e_5e_30e_15e:F-N-O-S, expected S15N5O30F11 to be S5N2(O2F)4" +mp-559119,IN2O4F5,-5.24225168,-1.2847095231,0.0487170006,0.0487170006,GGA,P-1,A5BC2D4_aP24_2_5i_i_2i_4i:F-I-N-O,24.0,"Invalid WP multiplicities - A5BC2D4_aP24_2_10i_i_4i_4i:F-I-N-O, expected IN4(O2F5)2 to be IN2O4F5" +mp-561001,SINOF2,-4.7872783031,-1.0012853384,0.358626305,0.358626305,GGA,P2_1/c,A2BCDE_mP48_14_4e_2e_2e_2e_2e:F-I-N-O-S,48.0,"Invalid WP multiplicities - A2BCDE_mP48_14_12e_7e_5e_6e_3e:F-I-N-O-S, expected S3I7N5(OF2)6 to be SINOF2" +mp-23598,SIO3F,-5.234018565,-1.507125012,0.0,-0.0334341733,GGA,P2_12_12_1,ABC3D_oP48_19_2a_2a_6a_2a:F-I-O-S,48.0,"Invalid WP multiplicities - ABC3D_oP48_19_4a_2a_8a_2a:F-I-O-S, expected SI(O2F)2 to be SIO3F" +mp-1212194,K2U3H4(O3F4)2,-6.6697194309,-2.5550282956,0.5225562646,0.5225562646,GGA,Ama2,A8B4C2D6E3_oC92_40_4c_a3b_2b_3c_ac:F-H-K-O-U,46.0,A8B4C2D6E3_oC92_40_4c_a3b_2b_3c_ac:F-H-K-O-U +mp-21742,Ba5AlIr2O11,-7.0506045161,-2.5542416364,0.0,-0.0476480089,GGA,Pnma,AB5C2D11_oP76_62_c_5c_2c_5c3d:Al-Ba-Ir-O,76.0,"Invalid WP multiplicities - AB5C2D11_oP76_62_c_17c_6c_18c19d:Al-Ba-Ir-O, expected Ba17Al(Ir3O28)2 to be Ba5AlIr2O11" +mp-559534,Ba5Al2In2IrClO13,-6.7665831977,-2.7006116183,0.0,-0.0101763115,GGA,P6_3/mmc,A2B5CD2EF13_hP48_194_f_b2f_c_e_a_d2k:Al-Ba-Cl-In-Ir-O,48.0,"Invalid WP multiplicities - A2B5CD2EF13_hP48_194_f_2b5f_c_e_a_2d13k:Al-Ba-Cl-In-Ir-O, expected Ba12Al2In2IrClO80 to be Ba5Al2In2IrClO13" +mp-1228412,Ba4Al(IrO5)2,-7.090703075,-2.4692188949,0.026954165,0.026954165,GGA,Cmc2_1,AB4C2D10_oC68_36_a_4a_2a_4a3b:Al-Ba-Ir-O,34.0,"Invalid WP multiplicities - AB4C2D10_oC68_36_a_8a_2a_8a8b:Al-Ba-Ir-O, expected Ba8Al(IrO12)2 to be Ba4Al(IrO5)2" +mp-1183133,AlIrO3,-6.686330656,-1.2015154272,1.08264807,1.08264807,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-Ir-O,5.0,ABC3_cP5_221_b_a_c:Al-Ir-O +mp-559933,Ba3In2Cl2O5,-5.8884220317,-2.580854602,0.0049792692,0.0049792692,GGA,I4/mmm,A3B2C2D5_tI24_139_ae_e_e_bg:Ba-Cl-In-O,12.0,"Invalid WP multiplicities - A3B2C2D5_tI24_139_a2e_e_e_b2g:Ba-Cl-In-O, expected Ba5In2Cl2O9 to be Ba3In2Cl2O5" +mp-558243,Ba2InClO3,-5.9732427221,-2.6477803787000003,0.0,-0.0311958395,GGA,P4/nmm,A2BCD3_tP14_129_2c_c_c_cf:Ba-Cl-In-O,14.0,"Invalid WP multiplicities - A2BCD3_tP14_129_3c_c_c_2c2f:Ba-Cl-In-O, expected Ba3InClO6 to be Ba2InClO3" +mp-556282,Ba2AlInO5,-6.7710365681,-2.8745195685,0.0054727665,0.0054727665,GGA,P6_3/mmc,AB2CD5_hP36_194_e_acf_f_bgk:Al-Ba-In-O,36.0,"Invalid WP multiplicities - AB2CD5_hP36_194_e_a2c2f_f_2b4g6k:Al-Ba-In-O, expected Ba7Al2In2O50 to be Ba2AlInO5" +mp-30023,Ba(AlCl4)2,-4.4954278995,-2.2955715468,0.0,-0.0563697205,GGA,P2/c,A2BC8_mP22_13_g_e_4g:Al-Ba-Cl,22.0,"Invalid WP multiplicities - A2BC8_mP22_13_g_e_5g:Al-Ba-Cl, expected Ba(AlCl5)2 to be Ba(AlCl4)2" +mp-1228416,Ba2AlIn3,-3.045150165,-0.4053873483,0.0168451404,0.0168451404,GGA,Cm,AB2C3_mC12_8_a_2a_3a:Al-Ba-In,6.0,AB2C3_mC12_8_a_2a_3a:Al-Ba-In +mp-6285,BaNd2Ti3O10,-8.9453973559,-3.6573577955,0.0015812116,0.0015812116,GGA,P2_1/m,AB2C10D3_mP64_11_2e_4e_6e7f_ab2f:Ba-Nd-O-Ti,64.0,"Invalid WP multiplicities - AB2C10D3_mP64_11_2e_4e_7e9f_ad2f:Ba-Nd-O-Ti, expected Ba2Nd4Ti6O25 to be BaNd2Ti3O10" +mp-6622,BaNd2Ti3O10,-8.9382420156,-3.6502024552,0.0087365519,0.0087365519,GGA,Cmcm,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-Nd-O-Ti,32.0,AB2C10D3_oC64_63_c_2c_a3c3f_bf:Ba-Nd-O-Ti +mp-1518631,BaNdTi4O12,-8.5615252356,-3.1376721814,0.1590250648,0.1590250648,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:Ba-Nd-O-Ti,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:Ba-Nd-O-Ti, expected BaNdTi4O16 to be BaNdTi4O12" +mp-16662,Ba6Nd2Ti4O17,-8.1941390734,-3.4794556023,0.0266120528,0.0266120528,GGA,P6_3/mmc,A6B2C17D4_hP58_194_ab2f_e_fh2k_2f:Ba-Nd-O-Ti,58.0,"Invalid WP multiplicities - A6B2C17D4_hP58_194_ab2f_e_fh3k_2f:Ba-Nd-O-Ti, expected Ba6Nd2Ti4O23 to be Ba6Nd2Ti4O17" +mp-557043,Ba2Nd2Ti2Cu2O11,-7.8532683258,-3.0228884341,0.0219658295,0.0219658295,GGA,P4/mmm,A2B2C2D11E2_tP19_123_g_h_ab_ch2i_h:Ba-Cu-Nd-O-Ti,19.0,"Invalid WP multiplicities - A2B2C2D11E2_tP19_123_g_h_ab_ch5i_h:Ba-Cu-Nd-O-Ti, expected Ba2Nd2Ti2Cu2O23 to be Ba2Nd2Ti2Cu2O11" +mp-1228289,Ba4Nd4Ti3Mn(Cu2O11)2,-7.7525955016,-2.88888605,0.0227791399,0.0227791399,GGA+U,P4mm,A4B4CD4E22F3_tP38_99_2c_2a2b_a_2c_3a3b4d_a2b:Ba-Cu-Mn-Nd-O-Ti,38.0,A4B4CD4E22F3_tP38_99_2c_2a2b_a_2c_3a3b4d_a2b:Ba-Cu-Mn-Nd-O-Ti +mp-1223115,La4Sb2Pb,-5.5430560993,-1.0123878179,0.0074619362,0.0074619362,GGA,I-42d,A4BC2_tI28_122_e_a_d:La-Pb-Sb,14.0,A4BC2_tI28_122_e_a_d:La-Pb-Sb +mp-1235077,LiLa2Co2Sb2(PbO6)2,-6.8857154967,-2.0742329337,0.1906438066,0.1906438066,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235190,LiLa2Co2Sb2(PbO6)2,-6.8780064329,-2.0665238699,0.1983528704,0.1983528704,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235208,LiLa2Co2Sb2(PbO6)2,-6.87734163,-2.0658590671,0.1990176732,0.1990176732,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235261,LiLa2Co2Sb2(PbO6)2,-6.9223622724,-2.1108797094,0.1539970309,0.1539970309,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235325,LiLa2Co2Sb2(PbO6)2,-6.8682713876,-2.0567888247,0.2080879156,0.2080879156,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235352,LiLa2Co2Sb2(PbO6)2,-6.8969985252,-2.0855159623,0.179360778,0.179360778,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235481,LiLa2Co2Sb2(PbO6)2,-6.8858081757,-2.0743256128,0.1905511275,0.1905511275,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235824,LiLa2Co2Sb2(PbO6)2,-6.8699532929,-2.0584707299,0.2064060104,0.2064060104,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-1235998,LiLa2Co2Sb2(PbO6)2,-6.8976808138,-2.0861982509,0.1786784894,0.1786784894,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Li-O-Pb-Sb +mp-861893,Li2LaPb,-3.4956514475,-0.3790264704,0.0,-0.005955643,GGA,Fm-3m,AB2C_cF16_225_a_c_b:La-Li-Pb,4.0,AB2C_cF16_225_a_c_b:La-Li-Pb +mp-1211529,La5SbPb3,-5.1705270156,-0.7319739072,0.0582224217,0.0582224217,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:La-Pb-Sb,18.0,A5B3C_hP18_193_dg_g_b:La-Pb-Sb +mp-1223180,LaCoSbPbO6,-7.1882159802,-2.2316054325,0.0310804089,0.0310804089,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Co-La-O-Pb-Sb,40.0,ABC6DE_mP20_7_a_a_6a_a_a:Co-La-O-Pb-Sb +mp-1204594,KUPO7F,-7.4537369284,-2.5125177093,0.2429081206,0.2429081206,GGA,P2_1/c,ABC7DE_mP44_14_e_e_7e_e_e:F-K-O-P-U,44.0,ABC7DE_mP44_14_e_e_7e_e_e:F-K-O-P-U +mp-1190484,YP(H2O3)2,-6.9561648238,-2.3619306515,0.021775525,0.021775525,GGA,C2/c,A4B6CD_mC48_15_2f_3f_e_e:H-O-P-Y,24.0,A4B6CD_mC48_15_2f_3f_e_e:H-O-P-Y +mp-1211914,KYP2H4O9,-6.9638098141,-2.4641287756,0.0238740193,0.0238740193,GGA,P2_1/c,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Y,68.0,A4BC9D2E_mP68_14_4e_e_9e_2e_e:H-K-O-P-Y +mp-722535,K2UP2(H2O5)2,-6.6607885371,-2.0620198945,0.3763668539,0.3763668539,GGA,P2_1,A4B2C10D2E_mP38_4_4a_2a_10a_2a_a:H-K-O-P-U,38.0,A4B2C10D2E_mP38_4_4a_2a_10a_2a_a:H-K-O-P-U +mp-721081,KUP(H2O3)3,-6.7809819326,-2.1870004807,0.017588059,0.017588059,GGA,Pna2_1,A6BC9DE_oP72_33_6a_a_9a_a_a:H-K-O-P-U,72.0,A6BC9DE_oP72_33_6a_a_9a_a_a:H-K-O-P-U +mp-568809,Ba5Al5Pb,-3.2431352355,-0.3308260609,0.0,-0.0104012827,GGA,P-6m2,A5B5C_hP11_187_gk_ahi_c:Al-Ba-Pb,11.0,"Invalid WP multiplicities - A5B5C_hP11_187_2g2k_ahi_c:Al-Ba-Pb, expected Ba5Al10Pb to be Ba5Al5Pb" +mp-1227843,BaSr(PbO3)2,-6.1976235655,-2.1262340854,0.0070231288,0.0070231288,GGA,Pmc2_1,AB6C2D_oP20_26_a_ab2c_c_b:Ba-O-Pb-Sr,20.0,"Invalid WP multiplicities - AB6C2D_oP20_26_a_ab3c_c_b:Ba-O-Pb-Sr, expected BaSr(PbO4)2 to be BaSr(PbO3)2" +mp-1227928,BaSrPb6,-3.5826688667,-0.347125015,0.0006735721,0.0006735721,GGA,P3m1,AB6C_hP24_156_a2b_6d_a2c:Ba-Pb-Sr,24.0,AB6C_hP24_156_a2b_6d_a2c:Ba-Pb-Sr +mp-20872,Sr(AlPb)2,-3.384807394,-0.0636195433,0.1860948,0.1860948,GGA,I4/mmm,A2B2C_tI10_139_d_e_a:Al-Pb-Sr,5.0,A2B2C_tI10_139_d_e_a:Al-Pb-Sr +mp-1227545,BaSrMn2Al9PbO20,-7.7551493259,-3.0995874805,0.0,-8.12411e-05,GGA+U,P1,A9BC2D20EF_aP34_1_9a_a_2a_20a_a_a:Al-Ba-Mn-O-Pb-Sr,34.0,A9BC2D20EF_aP34_1_9a_a_2a_20a_a_a:Al-Ba-Mn-O-Pb-Sr +mp-1202871,U3NF13,-7.2997140629,-3.3550110316,0.3470828999,0.3470828999,GGA,Pmc2_1,A13BC3_oP34_26_2a3b4c_a_bc:F-N-U,34.0,A13BC3_oP34_26_2a3b4c_a_bc:F-N-U +mp-1179327,USNO9,-6.5087007496,-0.818321316,1.1950527034,1.1950527034,GGA,P2_1/c,AB9CD_mP48_14_e_9e_e_e:N-O-S-U,48.0,AB9CD_mP48_14_e_9e_e_e:N-O-S-U +mp-5739,U2SN2,-10.500983502,-1.8225315546,0.0,-0.1548335168,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-S-U,5.0,A2BC2_hP5_164_d_a_d:N-S-U +mp-1193953,UNF5,-6.6514448811,-2.4821163421,0.8433168925000001,0.8433168925000001,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-N-U,28.0,A5BC_mP28_14_5e_e_e:F-N-U +mp-1179503,U4S2N4O21,-7.9083532177,-1.7578699142,0.6872349343,0.6872349343,GGA,P1,A4B21C2D4_aP62_1_8a_42a_4a_8a:N-O-S-U,62.0,A4B21C2D4_aP62_1_8a_42a_4a_8a:N-O-S-U +mp-729140,USNO6F,-7.5813070803,-2.0457104766,0.3686264023,0.3686264023,GGA,Pca2_1,ABC6DE_oP40_29_a_a_6a_a_a:F-N-O-S-U,40.0,ABC6DE_oP40_29_a_a_6a_a_a:F-N-O-S-U +mp-1179148,U(NF2)4,-5.5228799023,-0.9129397908,1.0731451837,1.0731451837,GGA,C2/c,A8B4C_mC52_15_4f_2f_e:F-N-U,26.0,A8B4C_mC52_15_4f_2f_e:F-N-U +mp-1196776,U2S(NO5)2,-7.7994550605,-1.6088452705,0.8834066542000001,0.8834066542000001,GGA,Cmce,A2B10CD2_oC120_64_2f_5g_e_g:N-O-S-U,60.0,A2B10CD2_oC120_64_2f_5g_e_g:N-O-S-U +mp-1225225,KU2SO12,-7.6670632773,-2.2176924418,0.3269790267,0.3269790267,GGA,C2/c,AB12CD2_mC128_15_f_12f_2e_2f:K-O-S-U,64.0,AB12CD2_mC128_15_f_12f_2e_2f:K-O-S-U +mp-863004,K2USO7F2,-6.8408430473,-2.525578687,0.1429560588,0.1429560588,GGA,P2_1/c,A2B2C7DE_mP52_14_2e_2e_7e_e_e:F-K-O-S-U,52.0,A2B2C7DE_mP52_14_2e_2e_7e_e_e:F-K-O-S-U +mp-1197861,K2U(SO6)2,-6.7759322094000005,-2.0026750228,0.2368475997,0.2368475997,GGA,Pna2_1,A2B12C2D_oP68_33_2a_12a_2a_a:K-O-S-U,68.0,A2B12C2D_oP68_33_2a_12a_2a_a:K-O-S-U +mp-867931,K2U(SO6)2,-6.7763075072,-2.0030503206,0.2364723019,0.2364723019,GGA,Pnma,A2B12C2D_oP68_62_d_4c4d_d_c:K-O-S-U,68.0,A2B12C2D_oP68_62_d_4c4d_d_c:K-O-S-U +mp-1199364,K2U(SO6)2,-6.7744045465,-2.0011473598,0.2383752626,0.2383752626,GGA,Cmce,A2B12C2D_oC136_64_2f_ef5g_g_e:K-O-S-U,68.0,A2B12C2D_oC136_64_2f_ef5g_g_e:K-O-S-U +mp-653182,K4US3O14,-6.8926915612,-2.4656007723,0.0,-0.0200952356,GGA,Pnma,A4B14C3D_oP176_62_ac3d_4c12d_2c2d_d:K-O-S-U,176.0,"Invalid WP multiplicities - A4B14C3D_oP176_62_3a4c21d_14c89d_6c13d_d:K-O-S-U, expected K49U2(SO6)32 to be K4US3O14" +mp-16813,BS4N4F3,-6.0397103229,-0.8475763362000001,0.189867278,0.189867278,GGA,P2_1/c,AB3C4D4_mP48_14_e_3e_4e_4e:B-F-N-S,48.0,"Invalid WP multiplicities - AB3C4D4_mP48_14_e_5e_7e_4e:B-F-N-S, expected BS4N7F5 to be BS4N4F3" +mp-1201734,BS4(NF)4,-5.9025668892,-0.9627909809,0.1925302722,0.1925302722,GGA,P2_1/c,AB4C4D4_mP52_14_e_4e_4e_4e:B-F-N-S,52.0,AB4C4D4_mP52_14_e_4e_4e_4e:B-F-N-S +mp-556762,BS2N2OF7,-5.5621063081,-1.7196199359,0.2347007959,0.2347007959,GGA,P2_1/m,AB7C2DE2_mP26_11_e_e3f_2e_e_2e:B-F-N-O-S,26.0,"Invalid WP multiplicities - AB7C2DE2_mP26_11_e_2e10f_2e_e_4e:B-F-N-O-S, expected BS4N2OF22 to be BS2N2OF7" +mp-1211274,KY(CO3)2,-8.1377480265,-2.5663146952,0.0,-0.1414247304,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Y,20.0,A2BC6D_mC40_15_f_e_3f_e:C-K-O-Y +mp-559781,KY(CO)8,-8.1303255928,-1.4092309433,0.3115567649,0.3115567649,GGA,P4/mcc,A8BC8D_tP36_124_n_a_n_c:C-K-O-Y,36.0,A8BC8D_tP36_124_n_a_n_c:C-K-O-Y +mp-1204855,KY(CO3)4,-7.0431431431,-1.2735988894,0.7422461407000001,0.7422461407000001,GGA,I4_1/a,A4BC12D_tI72_88_f_a_3f_b:C-K-O-Y,36.0,A4BC12D_tI72_88_f_a_3f_b:C-K-O-Y +mp-756647,K2YPCO7,-7.6145314246,-2.7848599258,0.0166764606,0.0166764606,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-Y,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-K-O-P-Y, expected K2YPCO13 to be K2YPCO7" +mp-1106282,KBC3N3F,-7.5653428283,-0.6323705019,0.3556751331,0.3556751331,GGA,P-1,AB3CDE3_aP18_2_i_3i_i_i_3i:B-C-F-K-N,18.0,AB3CDE3_aP18_2_i_3i_i_i_3i:B-C-F-K-N +mp-558972,KBC4NF9,-6.0468479114,-1.6565817664,0.4357752429,0.4357752429,GGA,Pnma,AB4C9DE_oP64_62_c_2cd_c4d_c_c:B-C-F-K-N,64.0,"Invalid WP multiplicities - AB4C9DE_oP64_62_c_7c4d_4c26d_c_c:B-C-F-K-N, expected KBC15NF56 to be KBC4NF9" +mp-559648,KBC4NF9,-6.0748911367,-1.6846249917,0.4077320176,0.4077320176,GGA,Pnma,AB4C9DE_oP64_62_c_2cd_c4d_c_c:B-C-F-K-N,64.0,"Invalid WP multiplicities - AB4C9DE_oP64_62_c_7c4d_4c26d_c_c:B-C-F-K-N, expected KBC15NF56 to be KBC4NF9" +mp-1211861,KB(CN)2,-6.8786817608,0.2746701646,1.0188081948,1.0188081948,GGA,I4_1/a,AB2CD2_tI48_88_c_f_d_f:B-C-K-N,24.0,AB2CD2_tI48_88_c_f_d_f:B-C-K-N +mp-574060,KB(CN)4,-7.943647868,-0.1386046292,0.3858919014,0.3858919014,GGA,I4_1/a,AB4CD4_tI40_88_a_f_b_f:B-C-K-N,20.0,AB4CD4_tI40_88_a_f_b_f:B-C-K-N +mp-1202400,KB(CF3)4,-5.7071085869,-1.9492085704,0.3654298338,0.3654298338,GGA,P2_12_12_1,AB4C12D_oP72_19_a_4a_12a_a:B-C-F-K,72.0,AB4C12D_oP72_19_a_4a_12a_a:B-C-F-K +mp-559721,KBCF6,-5.7754382247,-2.6101793341,0.2000354463,0.2000354463,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:B-C-F-K,36.0,"Invalid WP multiplicities - ABC6D_mP36_14_e_e_20e_e:B-C-F-K, expected KBCF20 to be KBCF6" +mp-1205404,K2B(CN)3,-7.1904306772,-0.346467242,0.3209656806,0.3209656806,GGA,Fdd2,AB3C2D3_oF72_43_a_ab_b_ab:B-C-K-N,18.0,AB3C2D3_oF72_43_a_ab_b_ab:B-C-K-N +mp-1202872,KBCNF3,-6.5878422905,-2.1465011423,0.1659705051,0.1659705051,GGA,Pbcn,ABC3DE_oP56_60_d_d_3d_d_d:B-C-F-K-N,56.0,ABC3DE_oP56_60_d_d_3d_d_d:B-C-F-K-N +mp-758103,YH2(CO3)2,-7.7652412325,-2.1843879183,0.0,-0.0816404597,GGA,C222_1,A2B2C6D_oC88_20_2c_2c_2a5c_2a:C-H-O-Y,44.0,"Invalid WP multiplicities - A2B2C6D_oC88_20_2c_4c_4a20c_4a:C-H-O-Y, expected YH2CO11 to be YH2(CO3)2" +mp-23664,YH3(CO2)3,-7.4392184415,-1.7460816728,0.1381332905,0.1381332905,GGA,R3m,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Y,13.0,"Invalid WP multiplicities - A3B3C6D_hR39_160_b_b_3b_a:C-H-O-Y, expected YH3(CO3)3 to be YH3(CO2)3" +mp-644278,Y2H2C,-6.390368378,-0.6009564162000001,0.015265885,0.015265885,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-H-Y,5.0,AB2C2_hP5_164_a_d_d:C-H-Y +mp-1196572,KYH14(C2O3)6,-6.7819050055000005,-1.241482888,0.1903401743,0.1903401743,GGA,C2/c,A12B14CD18E_mC368_15_12f_14f_2e_18f_2e:C-H-K-O-Y,184.0,A12B14CD18E_mC368_15_12f_14f_2e_18f_2e:C-H-K-O-Y +mp-698263,KYH4C4O9,-6.9205410242,-1.521454992,0.3738601118,0.3738601118,GGA,P1,A4B4CD9E_aP19_1_4a_4a_a_9a_a:C-H-K-O-Y,19.0,A4B4CD9E_aP19_1_4a_4a_a_9a_a:C-H-K-O-Y +mp-738684,K5YH8(CO2)8,-6.6854278945,-1.6292011174,0.1209991959,0.1209991959,GGA,C2/c,A8B8C5D16E_mC152_15_4f_4f_a2f_8f_e:C-H-K-O-Y,76.0,A8B8C5D16E_mC152_15_4f_4f_c2f_8f_e:C-H-K-O-Y +mp-698287,YH2C4O9,-7.7395572281,-1.8216332547,0.1780426699,0.1780426699,GGA,P4_2/n,A4B2C9D_tP64_86_2g_g_e4g_e:C-H-O-Y,64.0,A4B2C9D_tP64_86_2g_g_e4g_e:C-H-O-Y +mp-554793,YH7C4O11,-6.9976448254,-1.7131321636,0.0382792276,0.0382792276,GGA,P4_2/n,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Y,92.0,"Invalid WP multiplicities - A4B7C11D_tP92_86_10g_3f19g_4e34g_e:C-H-O-Y, expected YH41(C5O18)4 to be YH7C4O11" +mp-1201717,KB6H2OF6,-5.9758702041,-1.9516349429,0.1721517592,0.1721517592,GGA,P2_1/c,A6B6C2DE_mP64_14_6e_6e_2e_e_e:B-F-H-K-O,64.0,A6B6C2DE_mP64_14_6e_6e_2e_e_e:B-F-H-K-O +mp-1200547,KB6H4(OF3)2,-5.8267098636,-1.8203990752,0.226450989,0.226450989,GGA,P-1,A6B6C4DE2_aP76_2_12i_12i_8i_2i_4i:B-F-H-K-O,76.0,A6B6C4DE2_aP76_2_12i_12i_8i_2i_4i:B-F-H-K-O +mp-1189847,K3HWS4O,-5.312136501,-1.1946823715,0.1551350926,0.1551350926,GGA+U,Pmn2_1,AB3CD4E_oP20_31_a_ab_a_2ab_a:H-K-O-S-W,20.0,AB3CD4E_oP20_31_a_ab_a_2ab_a:H-K-O-S-W +mp-1195712,K4H6W2S2O9,-6.1819286574,-1.6816108029,0.0494340491,0.0494340491,GGA+U,C2/c,A6B4C9D2E2_mC92_15_3f_2f_e4f_f_f:H-K-O-S-W,46.0,A6B4C9D2E2_mC92_15_3f_2f_e4f_f_f:H-K-O-S-W +mp-1213616,K4P4H6WO14,-6.3626995426,-1.9260466366,0.2275030209,0.2275030209,GGA+U,C2/c,A6B4C14D4E_mC116_15_3f_2f_7f_2f_e:H-K-O-P-W,58.0,A6B4C14D4E_mC116_15_3f_2f_7f_2f_e:H-K-O-P-W +mp-1237495,K4P4H6WO14,-6.3543553316,-1.9177024256,0.2358472319,0.2358472319,GGA+U,C2/c,A6B4C14D4E_mC116_15_3f_2f_7f_2f_e:H-K-O-P-W,58.0,A6B4C14D4E_mC116_15_3f_2f_7f_2f_e:H-K-O-P-W +mp-1359041,CaTiAsO5,-7.7350184028,-2.8233116706,0.0732841183,0.0732841183,GGA,P2_1,ABC5D_mP32_4_2a_2a_10a_2a:As-Ca-O-Ti,32.0,ABC5D_mP32_4_4a_4a_20a_4a:As-Ca-O-Ti +mp-1196768,CaBeAsO5,-6.8012625478,-2.4090657095,0.0941617729,0.0941617729,GGA,P2_1/c,ABCD5_mP32_14_e_e_e_5e:As-Be-Ca-O,32.0,ABCD5_mP32_14_e_e_e_5e:As-Be-Ca-O +mp-1048301,CaTi2Be3(SiO4)3,-8.0337414463,-3.0503585352,0.1537827355,0.1537827355,GGA,P2_1/c,A3BC12D3E2_mP84_14_3e_e_12e_3e_2e:Be-Ca-O-Si-Ti,84.0,"Invalid WP multiplicities - A3BC12D3E2_mP84_14_4e_e_17e_3e_2e:Be-Ca-O-Si-Ti, expected CaTi2Be4Si3O17 to be CaTi2Be3(SiO4)3" +mp-1042508,CaTiAs2O7,-7.4002377291,-2.5051332122,0.0767681085,0.0767681085,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-Ti,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Ca-O-Ti +mp-1009087,BeSiAs2,-4.8315743962,-0.21083247,0.0,-0.1575187325,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Be-Si,8.0,A2BC_tI16_122_d_a_b:As-Be-Si +mp-1351337,Ca3Ti3(AsO4)4,-7.4387040246,-2.5353667673,0.2476930523,0.2476930523,GGA,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Ca-O-Ti,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Ca-O-Ti, expected Ca3Ti3(As5O29)2 to be Ca3Ti3(AsO4)4" +mp-558370,Ca3TiBe2Si2(As3O10)2,-7.3463353147,-2.6660341941,0.0,-0.0437119279,GGA,P-3c1,A6B2C3D20E2F_hP68_165_g_d_f_d3g_d_a:As-Be-Ca-O-Si-Ti,68.0,"Invalid WP multiplicities - A6B2C3D20E2F_hP68_165_g_d_f_4d23g_d_a:As-Be-Ca-O-Si-Ti, expected Ca3TiBe2Si2(As3O73)2 to be Ca3TiBe2Si2(As3O10)2" +mp-1018630,Ca(BeAs)2,-4.37137001,-0.6108375260000001,0.0,-0.1690766601,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Be-Ca,5.0,A2B2C_hP5_164_d_d_a:As-Be-Ca +mp-1196089,YB3H18C2S,-4.6662945841,-0.2595947406,0.1428721298,0.1428721298,GGA,P2_1/c,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Y,100.0,A3B2C18DE_mP100_14_3e_2e_18e_e_e:B-C-H-S-Y +mp-23656,Na4Ga3Si3ClO12,-6.6802289278,-2.6863530789,0.0,-0.0249495478,GGA,P-43n,AB3C4D12E3_cP46_218_a_c_e_i_d:Cl-Ga-Na-O-Si,46.0,AB3C4D12E3_cP46_218_a_c_e_i_d:Cl-Ga-Na-O-Si +mp-720655,Na4Al2Si6ClO24,-6.2344278241,-1.7505838580000002,0.7583322576,0.7583322576,GGA,P1,A2BC4D24E6_aP37_1_2a_a_4a_24a_6a:Al-Cl-Na-O-Si,37.0,A2BC4D24E6_aP37_1_2a_a_4a_24a_6a:Al-Cl-Na-O-Si +mp-1198152,Al13Si5ClO38,-7.2219208181,-2.5615386492,0.3385729967,0.3385729967,GGA,F-43m,A13BC38D5_cF228_216_ah_c_2eg2h_be:Al-Cl-O-Si,57.0,A13BC38D5_cF228_216_ah_c_2eg2h_be:Al-Cl-O-Si +mp-1173771,Na4Al3Si3ClO16,-6.8507259189,-2.6359726302,0.0387211675,0.0387211675,GGA,P1,A3BC4D16E3_aP54_1_6a_2a_8a_32a_6a:Al-Cl-Na-O-Si,54.0,A3BC4D16E3_aP54_1_6a_2a_8a_32a_6a:Al-Cl-Na-O-Si +mp-720111,Na4Al3Si3ClO16,-6.8300212531,-2.6152679645,0.0594258333,0.0594258333,GGA,P2,A3BC4D16E3_mP54_3_2a2e_bc_4e_16e_2d2e:Al-Cl-Na-O-Si,54.0,"Invalid WP multiplicities - A3BC4D16E3_mP54_3_2a3e_bd_4e_16e_2c2e:Al-Cl-Na-O-Si, expected Na4Al4Si3ClO16 to be Na4Al3Si3ClO16" +mp-541111,AlGaCl4,-4.061386395,-1.7000833129,0.0,-0.0320223826,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Al-Cl-Ga,24.0,AB4C_mP24_14_e_4e_e:Al-Cl-Ga +mp-1220864,Na8Al3Ga3Si6(ClO12)2,-6.9252964893,-2.884628479,0.00111398,0.00111398,GGA,R3,A3B2C3D8E24F6_hR138_146_b_2a_b_2a2b_8b_2b:Al-Cl-Ga-Na-O-Si,46.0,"Invalid WP multiplicities - A3B2C3D8E24F6_hR138_146_b_2a_b_2a3b_20b_2b:Al-Cl-Ga-Na-O-Si, expected Na11Al3Ga3Si6(ClO30)2 to be Na8Al3Ga3Si6(ClO12)2" +mp-676431,Na4Al3Si9ClO24,-7.6842939961,-3.1495682238,0.0158612861,0.0158612861,GGA,P1,A3BC4D24E9_aP41_1_3a_a_4a_24a_9a:Al-Cl-Na-O-Si,41.0,A3BC4D24E9_aP41_1_3a_a_4a_24a_9a:Al-Cl-Na-O-Si +mp-1221210,Na4Al3Si3ClO12,-7.1484692248,-3.0610090531,0.0241227861,-0.000753474,GGA,C2,A3BC4D12E3_mC46_5_ac_b_2c_6c_ac:Al-Cl-Na-O-Si,23.0,"Invalid WP multiplicities - A3BC4D12E3_mC46_5_ac_b_3c_12c_a2c:Al-Cl-Na-O-Si, expected Na6Al3Si5ClO24 to be Na4Al3Si3ClO12" +mp-23145,Na4Al3Si3ClO12,-7.1725920109,-3.0851318392,0.0,-0.02487626,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-Na-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-Na-O-Si +mp-690919,Na8Al11Si13(AgO16)3,-7.2795342636,-2.8427945405,0.2110891542,0.2110891542,GGA,P1,A3B11C8D48E13_aP83_1_3a_11a_8a_48a_13a:Ag-Al-Na-O-Si,83.0,A3B11C8D48E13_aP83_1_3a_11a_8a_48a_13a:Ag-Al-Na-O-Si +mp-1111586,Na2AlAgBr6,-3.214740674,-1.360605434,0.1919993558,0.1919993558,GGA,Fm-3m,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Na,10.0,ABC6D2_cF40_225_a_b_e_c:Ag-Al-Br-Na +mp-686232,Na7Al11Si13(AgO12)4,-7.3094327846,-2.8544999204,0.1637574777,0.1637574777,GGA,P1,A4B11C7D48E13_aP83_1_4a_11a_7a_48a_13a:Ag-Al-Na-O-Si,83.0,A4B11C7D48E13_aP83_1_4a_11a_7a_48a_13a:Ag-Al-Na-O-Si +mp-690987,Na7Al10Si14(AgO16)3,-7.4465955685,-2.9513929597,0.1114004612,0.1114004612,GGA,P1,A3B10C7D48E14_aP82_1_3a_10a_7a_48a_14a:Ag-Al-Na-O-Si,82.0,A3B10C7D48E14_aP82_1_3a_10a_7a_48a_14a:Ag-Al-Na-O-Si +mp-23147,Na4Al3Si3BrO12,-7.1424910789,-3.0678790955,0.0,-0.0270137511,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Br-Na-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Br-Na-O-Si +mp-43068,Na3Al3Si3AgBrO12,-7.0795181917,-2.9392526992,0.0,-0.0011708218,GGA,Cc,AB3CD3E12F3_mC92_9_a_3a_a_3a_12a_3a:Ag-Al-Br-Na-O-Si,46.0,"Invalid WP multiplicities - AB3CD3E12F3_mC92_9_a_6a_a_6a_24a_3a:Ag-Al-Br-Na-O-Si, expected Na6Al6Si3AgBrO24 to be Na3Al3Si3AgBrO12" +mp-557365,K6U5V2O23,-8.5496632656,-3.1312994814,0.0,-0.0131418492,GGA+U,P2_1/c,A6B23C5D2_mP72_14_3e_a11e_c2e_e:K-O-U-V,72.0,"Invalid WP multiplicities - A6B23C5D2_mP72_14_11e_a40e_2c4e_e:K-O-U-V, expected K22U10V2O81 to be K6U5V2O23" +mp-645555,KUVO6,-8.6762190344,-2.9911248906,2.03256e-05,-0.0302326567,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:K-O-U-V,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_21e_e_e:K-O-U-V, expected KUVO21 to be KUVO6" +mp-541148,KUVO6,-8.67623936,-2.9911452162,0.0,-0.0302529822,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:K-O-U-V,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_20e_e_e:K-O-U-V, expected KUVO20 to be KUVO6" +mp-1181308,KUVO6,-8.6649249053,-2.9798307614,0.0113144547,-0.0189385275,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:K-O-U-V,36.0,AB6CD_mP36_14_e_6e_e_e:K-O-U-V +mp-1182771,KUVO6,-7.9842323494,-2.2991382056,0.6920070106,0.6617540283000001,GGA+U,P2_1/c,AB6CD_mP36_14_e_6e_e_e:K-O-U-V,36.0,"Invalid WP multiplicities - AB6CD_mP36_14_e_21e_e_e:K-O-U-V, expected KUVO21 to be KUVO6" +mp-1204908,KUVIO10,-7.2259337627,-2.0526502991,0.0696133524,0.0696133524,GGA+U,Pba2,ABC10DE_oP56_32_c_c_ab9c_c_c:I-K-O-U-V,56.0,ABC10DE_oP56_32_c_c_ab9c_c_c:I-K-O-U-V +mp-559744,KV(IO4)2,-5.8744404142,-1.4815614636,0.0,-0.0088951116,GGA+U,P2_1/c,A2BC8D_mP48_14_2e_e_8e_e:I-K-O-V,48.0,"Invalid WP multiplicities - A2BC8D_mP48_14_4e_e_31e_e:I-K-O-V, expected KVI4O31 to be KV(IO4)2" +mp-556573,K2WC2O9,-7.1669805884,-1.5843764805,0.3431258869,0.3431258869,GGA+U,P2_1/c,A2B2C9D_mP56_14_2e_2e_9e_e:C-K-O-W,56.0,"Invalid WP multiplicities - A2B2C9D_mP56_14_8e_7e_33e_e:C-K-O-W, expected K7WC8O33 to be K2WC2O9" +mp-755603,KPWCO7,-8.0191856227,-2.2612476086,0.0108747513,0.0108747513,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-W,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-K-O-P-W, expected KPWCO13 to be KPWCO7" +mp-1182792,K6W4CO29,-6.4343271483,-1.1548883302,0.4214780359,0.4214780359,GGA+U,P2_1/c,AB6C29D4_mP160_14_e_6e_29e_4e:C-K-O-W,160.0,AB6C29D4_mP160_14_e_6e_29e_4e:C-K-O-W +mp-1196538,UB6H36(C2N)3,-5.0996208171,-0.2171712789,0.1851830448,0.1851830448,GGA,P2_1/c,A6B6C36D3E_mP208_14_6e_6e_36e_3e_e:B-C-H-N-U,208.0,A6B6C36D3E_mP208_14_6e_6e_36e_3e_e:B-C-H-N-U +mp-1202641,UB6H36(C2N)3,-5.0975326392,-0.215083101,0.1872712227,0.1872712227,GGA,P2_1/c,A6B6C36D3E_mP208_14_6e_6e_36e_3e_e:B-C-H-N-U,208.0,A6B6C36D3E_mP208_14_6e_6e_36e_3e_e:B-C-H-N-U +mp-27350,U(BH4)4,-4.665901332,-0.2710159123,0.0,-0.0692974459,GGA,P4_32_12,A4B16C_tP84_96_2b_8b_a:B-H-U,84.0,"Invalid WP multiplicities - A4B16C_tP84_96_2b_9b_a:B-H-U, expected U(B2H9)2 to be U(BH4)4" +mp-707273,U(BH4)4,-4.6604634869,-0.2655780672,0.0054378451,-0.0638596008,GGA,Cmcm,A4B16C_oC84_63_fg_2f2g2h_c:B-H-U,42.0,A4B16C_oC84_63_fg_2f2g2h_c:B-H-U +mp-5311,UBN,-9.9607929067,-1.1916940047,0.0,-0.0099705339,GGA,Cmcm,ABC_oC12_63_c_c_c:B-N-U,6.0,ABC_oC12_63_c_c_c:B-N-U +mp-1218619,Sr4CePr3Nb2(CuO5)4,-7.6123743871,-2.8309922924,0.0411935094,0.0411935094,GGA,Amm2,AB4C2D20E3F4_oC68_38_a_2a2b_ab_2a2b4f_a2b_2a2b:Ce-Cu-Nb-O-Pr-Sr,34.0,AB4C2D20E3F4_oC68_38_a_2a2b_ab_2a2b4f_a2b_2a2b:Ce-Cu-Nb-O-Pr-Sr +mp-1209513,RbNd(ClO)4,-4.451881288,-1.158922989,0.597399209,0.597399209,GGA,P2_12_12,A4BC4D_oP20_18_2c_a_2c_b:Cl-Nd-O-Rb,20.0,A4BC4D_oP20_18_2c_a_2c_b:Cl-Nd-O-Rb +mp-10779,RbNdSe2,-5.1467736275,-1.9616475124,0.0,-0.1561315677,GGA,R-3m,ABC2_hR12_166_a_b_c:Nd-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Nd-Rb-Se +mp-1194243,RbNdSe2O11,-5.6015002483,-1.1245615627,0.3684913053,0.3684913053,GGA,P-1,AB11CD2_aP30_2_i_11i_i_2i:Nd-O-Rb-Se,30.0,AB11CD2_aP30_2_i_11i_i_2i:Nd-O-Rb-Se +mp-1210461,Rb3Nd(Cl3O)2,-3.9009984075,-1.5098028215,0.6534179654000001,0.6534179654000001,GGA,P6_3/m,A6BC2D3_hP72_176_2h2i_h_i_bfi:Cl-Nd-O-Rb,72.0,A6BC2D3_hP72_176_2h2i_h_i_bfi:Cl-Nd-O-Rb +mp-1110682,Rb2LiNdCl6,-4.410962945,-2.4380271046,0.032163016,0.032163016,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Nd-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Nd-Rb +mp-607785,Rb6LiNd11Se12(Cl4O9)4,-6.1602563387,-2.3815969856,0.0,-0.0068140072,GGA,I4/mcm,A16BC11D36E6F12_tI328_140_fglm_b_aejl_l4m_hk_lm:Cl-Li-Nd-O-Rb-Se,164.0,"Invalid WP multiplicities - A16BC11D36E6F12_tI328_140_3f4g8l5m_b_2a4e5j7l_8l49m_2h2k_6l5m:Cl-Li-Nd-O-Rb-Se, expected Rb12LiNd58Se64(Cl43O212)2 to be Rb6LiNd11Se12(Cl4O9)4" +mp-980947,SrCaHg2,-1.598138985,-0.5225254692,0.018665545,0.018665545,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Sr +mp-1218853,Sr2CaPr3(CuO3)4,-6.8310645923,-2.4908648074,0.0543049954,0.0543049954,GGA,Amm2,AB4C12D3E2_oC44_38_a_2a2b_2a2b2f_a2b_ab:Ca-Cu-O-Pr-Sr,22.0,AB4C12D3E2_oC44_38_a_2a2b_2a2b2f_a2b_ab:Ca-Cu-O-Pr-Sr +mp-867217,CaPrHg2,-2.3982324225,-0.5497658312,0.0,-0.036543745,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Pr,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Pr +mp-1218674,Sr8Pr4Cu9(HgO8)3,-6.1021143669,-2.1611976827,0.0801217552,0.0801217552,GGA,C2/m,A9B3C24D4E8_mC96_12_a4i_bi_8i2j_fh_2j:Cu-Hg-O-Pr-Sr,48.0,"Invalid WP multiplicities - A9B3C24D4E8_mC96_12_a8i_b2i_16i4j_eh_4j:Cu-Hg-O-Pr-Sr, expected Sr16Pr4Cu17Hg5O48 to be Sr8Pr4Cu9(HgO8)3" +mp-1218589,Sr4CaPr2Cu4HgO14,-6.3159675973,-2.3052162817,0.0720080723,0.0720080723,GGA,I-4m2,AB4CD14E2F4_tI52_119_a_2f_c_e2fj_bd_2e:Ca-Cu-Hg-O-Pr-Sr,26.0,"Invalid WP multiplicities - AB4CD14E2F4_tI52_119_a_3f_c_e3fj_bd_4e:Ca-Cu-Hg-O-Pr-Sr, expected Sr8CaPr2Cu6HgO16 to be Sr4CaPr2Cu4HgO14" +mp-981311,SrTlHg2,-1.5469064225,-0.38203209,0.0,-0.0107426842,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-Sr-Tl,4.0,A2BC_cF16_225_c_a_b:Hg-Sr-Tl +mp-1228463,Ba3Sr5Tl5Cu3O19,-5.7851363263,-2.0050702307,0.0157352289,0.0157352289,GGA,Pm,A3B3C19D5E5_mP35_6_3a_3b_7a12b_5a_5b:Ba-Cu-O-Sr-Tl,35.0,A3B3C19D5E5_mP35_6_3a_3b_7a12b_5a_5b:Ba-Cu-O-Sr-Tl +mp-1097516,BaSrHg2,-0.274635435,0.7793218458000001,1.3109661375,1.3109661375,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Hg-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Hg-Sr +mp-1183305,BaSrHg2,-1.56929394,-0.5153366592,0.0163076325,0.0163076325,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Hg-Sr,4.0,AB2C_cF16_225_a_c_b:Ba-Hg-Sr +mp-1228298,Ba3SrTl2Cu2HgO10,-5.5616124537000005,-1.8699974335,0.0200647543,0.0200647543,GGA,I4mm,A3B2CD10EF2_tI38_107_3a_2a_a_6a2b_a_2a:Ba-Cu-Hg-O-Sr-Tl,19.0,A3B2CD10EF2_tI38_107_3a_2a_a_6a2b_a_2a:Ba-Cu-Hg-O-Sr-Tl +mp-1208923,Sr(TlHg)2,-1.6733391425000002,-0.2689110472,0.0367146248,0.0367146248,GGA,P4_2/mnm,A2BC2_tP20_136_fg_f_i:Hg-Sr-Tl,20.0,A2BC2_tP20_136_fg_f_i:Hg-Sr-Tl +mp-1096153,Ba2TlHg,-0.6574468525,0.9686214954,1.4451051325,1.3924924588,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Hg-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Hg-Tl +mp-1183313,Ba2TlHg,-2.102551985,-0.4764836371,0.0,-0.0526126737,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ba-Hg-Tl,4.0,A2BC_cF16_225_c_a_b:Ba-Hg-Tl +mp-3392,Ba(TlHg)2,-1.7706963135,-0.3203719208,0.0022009218,0.0022009218,GGA,P4_2/mnm,AB2C2_tP20_136_f_fg_i:Ba-Hg-Tl,20.0,AB2C2_tP20_136_f_fg_i:Ba-Hg-Tl +mp-619126,Ba2TlCuHgO5,-5.24976599,-1.7160736282,0.0738503882,0.0738503882,GGA,I4mm,A2BCD5E_tI20_107_2a_a_a_3ab_a:Ba-Cu-Hg-O-Tl,10.0,"Invalid WP multiplicities - A2BCD5E_tI20_107_2a_a_a_3a2b_a:Ba-Cu-Hg-O-Tl, expected Ba2TlCuHgO7 to be Ba2TlCuHgO5" +mp-561182,Ba4Tl2Cu2HgO10,-5.5632126468,-1.8595196536,0.0125311481,0.0125311481,GGA,I4/mmm,A4B2CD10E2_tI38_139_2e_e_a_3eg_e:Ba-Cu-Hg-O-Tl,19.0,"Invalid WP multiplicities - A4B2CD10E2_tI38_139_3e_e_a_6e3g_e:Ba-Cu-Hg-O-Tl, expected Ba6Tl2Cu2HgO24 to be Ba4Tl2Cu2HgO10" +mp-1228188,Ba4Tl13Hg3,-2.2434721135,-0.2784070254,0.0,-0.0053553453,GGA,Cm,A4B3C13_mC40_8_4a_3a_13a:Ba-Hg-Tl,20.0,A4B3C13_mC40_8_4a_3a_13a:Ba-Hg-Tl +mp-1228453,Ba3Sr(HgO2)4,-4.927621894,-1.912956305,0.0700862948,0.0700862948,GGA,P321,A3B4C8D_hP48_150_a4d_2g_4g_bc:Ba-Hg-O-Sr,48.0,"Invalid WP multiplicities - A3B4C8D_hP48_150_a8d_12g_24g_bc:Ba-Hg-O-Sr, expected Ba17Sr3(HgO2)72 to be Ba3Sr(HgO2)4" +mp-1096694,Sr2TlHg,-0.5901865575,0.9211410471,1.4080738825,1.40150461,GGA,Immm,AB2C_oI8_71_a_e_b:Hg-Sr-Tl,4.0,AB2C_oI8_71_a_e_b:Hg-Sr-Tl +mp-1187099,Sr2TlHg,-1.99826044,-0.4869328354,0.0,-0.0065692725,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Hg-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Hg-Sr-Tl +mp-1096608,BaSrTl2,-0.948784485,1.1346541867,1.5530180675,1.496505625,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:Ba-Sr-Tl +mp-1183386,BaSrTl2,-2.5018025525,-0.4183638808,0.0,-0.0565124425,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ba-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Ba-Sr-Tl +mp-1228447,Ba2TlCuHgO6,-5.2720762209,-1.6099296455,0.1432805638,0.1432805638,GGA,Imm2,A2BCD6E_oI22_44_2a_a_a_2a4b_a:Ba-Cu-Hg-O-Tl,,A2BCD6E_oI22_44_2a_a_a_2a4b_a:Ba-Cu-Hg-O-Tl +mp-865984,BaTlHg2,-1.6254607575,-0.4032160533,0.0,-0.0095195077,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ba-Hg-Tl,4.0,AB2C_cF16_225_a_c_b:Ba-Hg-Tl +mp-1228366,Ba2Tl2Cu2HgO8,-5.275849564,-1.4999269261,0.0606577174,0.0606577174,GGA,I4mm,A2B2CD8E2_tI30_107_2a_2a_a_4a2b_2a:Ba-Cu-Hg-O-Tl,15.0,A2B2CD8E2_tI30_107_2a_2a_a_4a2b_2a:Ba-Cu-Hg-O-Tl +mp-1233654,Ba6CaNb2Ir(ClO6)2,-7.2487273104,-2.8479843256,0.1671259906,0.1671259906,GGA,P1,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O,24.0,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O +mp-1234222,Ba6CaNb2Ir(ClO6)2,-7.2657717738,-2.865028789,0.1500815273,0.1500815273,GGA,P1,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O,24.0,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O +mp-1234974,Ba6CaNb2Ir(ClO6)2,-7.2867839675,-2.8860409827,0.1290693335,0.1290693335,GGA,P1,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O,24.0,A6BC2DE2F12_aP24_1_6a_a_2a_a_2a_12a:Ba-Ca-Cl-Ir-Nb-O +mp-1233519,Ba6CaNb2Ir(ClO6)2,-7.2542028825,-2.8534598977,0.1616504185,0.1616504185,GGA,Cm,A6BC2DE2F12_mC48_8_6a_a_2a_a_2a_4a4b:Ba-Ca-Cl-Ir-Nb-O,24.0,"Invalid WP multiplicities - A6BC2DE2F12_mC48_8_6a_a_2a_a_2a_4a8b:Ba-Ca-Cl-Ir-Nb-O, expected Ba6CaNb2Ir(ClO10)2 to be Ba6CaNb2Ir(ClO6)2" +mp-1233101,Ba6CaNb2Ir(ClO6)2,-7.2841477992,-2.8834048144,0.1317055019,0.1317055019,GGA,C2/m,A6BC2DE2F12_mC48_12_3i_a_i_b_i_2i2j:Ba-Ca-Cl-Ir-Nb-O,24.0,"Invalid WP multiplicities - A6BC2DE2F12_aP24_2_5i_a_i_d_i_11i:Ba-Ca-Cl-Ir-Nb-O, expected Ba10CaNb2Ir(ClO11)2 to be Ba6CaNb2Ir(ClO6)2" +mp-1234370,Ba6CaNb2Ir(ClO6)2,-7.1300251125,-2.7292821277,0.2858281885,0.2858281885,GGA,P-3m1,A6BC2DE2F12_hP24_164_3d_a_d_b_c_2i:Ba-Ca-Cl-Ir-Nb-O,24.0,"Invalid WP multiplicities - A6BC2DE2F12_hP24_164_5d_a_d_b_c_7i:Ba-Ca-Cl-Ir-Nb-O, expected Ba10CaNb2Ir(ClO21)2 to be Ba6CaNb2Ir(ClO6)2" +mp-605878,La4MgRu,-5.3234057896,-0.2202872879,0.0,-0.0244228496,GGA,F-43m,A4BC_cF96_216_efg_e_e:La-Mg-Ru,24.0,"Invalid WP multiplicities - A4BC_cF96_216_3e2f3g_e_e:La-Mg-Ru, expected La21(MgRu)2 to be La4MgRu" +mp-2217872,BaLaMgNiRuO6,-7.0435854409,-2.2081369334,0.3372223074,0.3372223074,GGA+U,P1,ABCDE6F_aP11_1_a_a_a_a_6a_a:Ba-La-Mg-Ni-O-Ru,11.0,ABCDE6F_aP11_1_a_a_a_a_6a_a:Ba-La-Mg-Ni-O-Ru +mp-622618,BaLaNiRuO6,-7.532465319,-2.3734999657,0.0393928562,0.0393928562,GGA+U,I-4,ABCD6E_tI20_82_c_d_a_eg_b:Ba-La-Ni-O-Ru,10.0,"Invalid WP multiplicities - ABCD6E_tI20_82_c_d_a_e2g_b:Ba-La-Ni-O-Ru, expected BaLaNiRuO10 to be BaLaNiRuO6" +mp-39249,BaLaMgRuO6,-7.501141921,-2.7601622308,0.0199254563,0.0199254563,GGA,I-4,ABCD6E_tI20_82_c_d_a_eg_b:Ba-La-Mg-O-Ru,10.0,"Invalid WP multiplicities - ABCD6E_tI20_82_c_d_a_2e2g_b:Ba-La-Mg-O-Ru, expected BaLaMgRuO12 to be BaLaMgRuO6" +mp-1184104,CuRh2Pb,-5.6474354975,-0.0123181275,0.0273346325,0.0273346325,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pb-Rh,4.0,ABC2_cF16_225_a_b_c:Cu-Pb-Rh +mp-1223365,La2CuRhO6,-7.596244448,-2.4946783463,0.0092850531,0.0092850531,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-La-O-Rh,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Cu-La-O-Rh, expected La2CuRhO10 to be La2CuRhO6" +mp-1223691,La3ZnCuRh2PbO12,-7.1489578285,-2.2505328815,0.0281595552,0.0281595552,GGA,P1,AB3C12DE2F_aP20_1_a_3a_12a_a_2a_a:Cu-La-O-Pb-Rh-Zn,20.0,AB3C12DE2F_aP20_1_a_3a_12a_a_2a_a:Cu-La-O-Pb-Rh-Zn +mp-10321,La2ZnRhO6,-7.481375698,-2.6637559023,0.0,-0.0020547369,GGA,P2_1/c,A2B6CD_mP20_14_e_3e_a_d:La-O-Rh-Zn,20.0,A2B6CD_mP20_14_e_3e_a_b:La-O-Rh-Zn +mp-1105849,La2Zn5Pb,-2.8945365119,-0.4091140956,0.0,-0.0208949293,GGA,Cmcm,A2BC5_oC32_63_ac_c_c2f:La-Pb-Zn,16.0,A2BC5_oC32_63_ac_c_c2f:La-Pb-Zn +mp-1188901,La5ZnPb3,-4.6678716167,-0.5481249117,0.0093144539,0.0093144539,GGA,P6_3/mcm,A5B3C_hP18_193_dg_g_b:La-Pb-Zn,18.0,A5B3C_hP18_193_dg_g_b:La-Pb-Zn +mp-570525,LaZnRh,-5.2047373813,-0.6847178529,0.0,-0.1172978603,GGA,Pnma,ABC_oP24_62_2c_2c_2c:La-Rh-Zn,24.0,"Invalid WP multiplicities - ABC_oP24_62_4c_5c_7c:La-Rh-Zn, expected La4Zn7Rh5 to be LaZnRh" +mp-1203228,La3Rh4Pb13,-4.9588134795,-0.3323302443,0.0,-0.0260508205,GGA,Pm-3n,A3B13C4_cP40_223_c_ak_e:La-Pb-Rh,40.0,A3B13C4_cP40_223_c_ak_e:La-Pb-Rh +mp-1223422,La10ZnPb5,-4.8166127669000005,-0.4926721412,0.0079063227,0.0079063227,GGA,I422,A10B5C_tI32_97_ck_aj_b:La-Pb-Zn,,A10B5C_tI32_97_ck_aj_b:La-Pb-Zn +mp-1223163,La4ZnCu(RhO6)2,-7.5359695885,-2.5763766397,0.007483011,0.007483011,GGA,P-1,AB4C12D2E_aP20_2_a_2i_6i_be_h:Cu-La-O-Rh-Zn,20.0,"Invalid WP multiplicities - AB4C12D2E_aP20_2_a_4i_12i_be_h:Cu-La-O-Rh-Zn, expected La8ZnCu(RhO12)2 to be La4ZnCu(RhO6)2" +mp-1023127,Ba4Cu3PbO9,-6.0070225229,-1.9948833911,0.0367006042,0.0367006042,GGA,Pm-3n,A4B3C9D_cP34_223_e_b_cf_a:Ba-Cu-O-Pb,34.0,"Invalid WP multiplicities - A4B3C9D_cP34_223_e_b_3c3f_a:Ba-Cu-O-Pb, expected Ba4Cu3PbO27 to be Ba4Cu3PbO9" +mp-559378,Ba5Ta2Cl2O9,-7.8415371608,-3.3122204008,0.0,-0.0138314856,GGA,P6_3/mmc,A5B2C9D2_hP36_194_c2f_f_hk_e:Ba-Cl-O-Ta,36.0,"Invalid WP multiplicities - A5B2C9D2_hP36_194_c5f_f_5h6k_e:Ba-Cl-O-Ta, expected Ba11Ta2Cl2O51 to be Ba5Ta2Cl2O9" +mp-1042208,BaTaCuO5,-7.7395508738,-2.4133755242,0.213779407,0.213779407,GGA,P4mm,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Ta,8.0,ABC5D_tP8_99_b_a_a2c_a:Ba-Cu-O-Ta +mp-1228449,Ba2TaCu2Pb2ClO8,-6.8019028437,-2.25556026,0.0146663086,0.0146663086,GGA,Amm2,A2BC2D8E2F_oC32_38_c_b_c_cdf_c_a:Ba-Cl-Cu-O-Pb-Ta,16.0,A2BC2D8E2F_oC32_38_c_b_c_cdf_c_a:Ba-Cl-Cu-O-Pb-Ta +mp-1214629,Ba2Zn2Cr7Ga2(SnO11)2,-7.7107806757,-2.3910169786,0.0,-0.0138400884,GGA+U,P-3m1,A2B7C2D22E2F2_hP37_164_d_ai_c_cd3i_d_d:Ba-Cr-Ga-O-Sn-Zn,37.0,A2B7C2D22E2F2_hP37_164_d_ai_c_cd3i_d_d:Ba-Cr-Ga-O-Sn-Zn +mp-1218067,SrPrFeRuO6,-7.8667294595,-2.4772339369000003,0.0,-0.0005961564,GGA+U,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Fe-O-Pr-Ru-Sr,20.0,"Invalid WP multiplicities - AB6CDE_mP20_7_a_11a_a_a_a:Fe-O-Pr-Ru-Sr, expected SrPrFeRuO11 to be SrPrFeRuO6" +mp-1517272,SrCaPrFeO6,-7.233676106,-2.5710608494,0.1408781134,0.1408781134,GGA+U,F-43m,ABC6DE_cF40_216_a_b_f_c_d:Ca-Fe-O-Pr-Sr,10.0,ABC6DE_cF40_216_a_b_f_c_d:Ca-Fe-O-Pr-Sr +mp-1234301,Sr2CaPr2Fe2(RuO6)2,-7.5967057119,-2.3683480771,0.2035762768,0.2035762768,GGA+U,P1,AB2C12D2E2F2_aP21_1_a_2a_12a_2a_2a_2a:Ca-Fe-O-Pr-Ru-Sr,21.0,AB2C12D2E2F2_aP21_1_a_2a_12a_2a_2a_2a:Ca-Fe-O-Pr-Ru-Sr +mp-1228046,BaFeCuPb2ClO5,-6.1699753591,-1.7612956158,0.0318064081,0.0318064081,GGA+U,P4mm,ABCDE5F2_tP11_99_b_a_a_a_a2c_2b:Ba-Cl-Cu-Fe-O-Pb,11.0,ABCDE5F2_tP11_99_b_a_a_a_a2c_2b:Ba-Cl-Cu-Fe-O-Pb +mp-1173764,Na5Ce3Ti6Nb2O24,-8.525865831499999,-3.2581662019,0.0090167504,0.0090167504,GGA,P1,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Ce-Na-Nb-O-Ti,40.0,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Ce-Na-Nb-O-Ti +mp-691045,Na5Ce3Ti6Nb2O24,-8.5222638062,-3.2545641767,0.0126187757,0.0126187757,GGA,Pm,A3B5C2D24E6_mP40_6_2ab_2a3b_ab_4a4b8c_3a3b:Ce-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - A3B5C2D24E6_mP40_6_2ab_2a3b_ab_4a4b16c_3a3b:Ce-Na-Nb-O-Ti, expected Na5Ce3Ti6Nb2O40 to be Na5Ce3Ti6Nb2O24" +mp-695506,Na3Ca7Ti7Nb3O30,-8.3182533864,-3.2786574741,0.0650228919,0.0650228919,GGA,Pm,A7B3C3D30E7_mP50_6_7a_3a_3b_10a20b_7b:Ca-Na-Nb-O-Ti,50.0,A7B3C3D30E7_mP50_6_7a_3a_3b_10a20b_7b:Ca-Na-Nb-O-Ti +mp-1227002,CeTiNbO6,-9.4435864822,-3.4869177623,0.0,-0.004117575,GGA,Pna2_1,ABC6D_oP36_33_a_a_6a_a:Ce-Nb-O-Ti,36.0,"Invalid WP multiplicities - ABC6D_oP36_33_a_a_16a_a:Ce-Nb-O-Ti, expected CeTiNbO16 to be CeTiNbO6" +mp-721094,Na5Ca2Ce3Ti8Nb2O30,-8.493250863,-3.2894448381,0.0377087515,0.0377087515,GGA,P4mm,A2B3C5D2E30F8_tP50_99_2a_3a_5a_2b_10b10c_8b:Ca-Ce-Na-Nb-O-Ti,50.0,"Invalid WP multiplicities - A2B3C5D2E30F8_tP50_99_2a_3a_5a_2b_10b20c_8b:Ca-Ce-Na-Nb-O-Ti, expected Na5Ca2Ce3Ti8Nb2O50 to be Na5Ca2Ce3Ti8Nb2O30" +mp-1173268,Sr2La4Mg2RuO12,-7.7059241052,-3.1841030337,0.0676531892,0.0676531892,GGA,C2/m,A4B2C12DE2_mC84_12_4i_2i_6i3j_i_2i:La-Mg-O-Ru-Sr,42.0,"Invalid WP multiplicities - A4B2C12DE2_mC84_12_7i_4i_11i12j_i_4i:La-Mg-O-Ru-Sr, expected Sr4La7Mg4RuO35 to be Sr2La4Mg2RuO12" +mp-1218777,Sr2La4Mg2RuO12,-7.6985678348,-3.1767467633,0.0750094596,0.0750094596,GGA,I4/mmm,A4B2C12DE2_tI42_139_2e_e_c3eg_a_e:La-Mg-O-Ru-Sr,21.0,"Invalid WP multiplicities - A4B2C12DE2_tI42_139_4e_e_2c6e3g_a_e:La-Mg-O-Ru-Sr, expected Sr2La8Mg2RuO28 to be Sr2La4Mg2RuO12" +mp-2217867,SrLaMgMn2O6,-7.8085482091,-2.6967351673,0.2014687441,0.2014687441,GGA+U,P1,ABC2D6E_aP11_1_a_a_2a_6a_a:La-Mg-Mn-O-Sr,11.0,ABC2D6E_aP11_1_a_a_2a_6a_a:La-Mg-Mn-O-Sr +mp-1173266,Sr2La2MgRuO8,-7.574932695,-3.0249903095,0.0324573847,0.0324573847,GGA,P-1,A2BC8DE2_aP28_2_2i_i_bc7i_i_2i:La-Mg-O-Ru-Sr,28.0,"Invalid WP multiplicities - A2BC8DE2_aP28_2_3i_i_bc12i_i_4i:La-Mg-O-Ru-Sr, expected Sr4La3MgRuO13 to be Sr2La2MgRuO8" +mp-1218801,Sr2La2MgRuO8,-7.5392669857,-2.9893246002,0.068123094,0.068123094,GGA,P4/mmm,A2BC8DE2_tP14_123_g_c_efgh_b_h:La-Mg-O-Ru-Sr,14.0,"Invalid WP multiplicities - A2BC8DE2_tP14_123_g_c_2e2f2gh_b_h:La-Mg-O-Ru-Sr, expected Sr2La2MgRuO14 to be Sr2La2MgRuO8" +mp-677385,Sr6La4Mg2Ru3O20,-7.2896094297,-2.7227942559,0.2180683212,0.2180683212,GGA,P-1,A4B2C20D3E6_aP35_2_2i_i_bc9i_ei_3i:La-Mg-O-Ru-Sr,35.0,"Invalid WP multiplicities - A4B2C20D3E6_aP35_2_3i_i_bc16i_e2i_6i:La-Mg-O-Ru-Sr, expected Sr12La6Mg2Ru5O34 to be Sr6La4Mg2Ru3O20" +mp-1173214,Sr4La2Mg(RuO6)2,-7.4019963262,-2.8239326267,0.0392065389,0.0392065389,GGA,C2/m,A2BC12D2E4_mC84_12_2i_i_6i3j_2i_4i:La-Mg-O-Ru-Sr,42.0,"Invalid WP multiplicities - A2BC12D2E4_mC84_12_3i_i_10i12j_2i_7i:La-Mg-O-Ru-Sr, expected Sr7La3Mg(RuO17)2 to be Sr4La2Mg(RuO6)2" +mp-1218460,Sr4La2Mg(RuO6)2,-7.3953216557,-2.8172579563,0.0458812093,0.0458812093,GGA,I4/mmm,A2BC12D2E4_tI42_139_e_a_c3eg_e_2e:La-Mg-O-Ru-Sr,21.0,"Invalid WP multiplicities - A2BC12D2E4_tI42_139_e_a_2c5e2g_e_3e:La-Mg-O-Ru-Sr, expected Sr6La2Mg(RuO11)2 to be Sr4La2Mg(RuO6)2" +mp-1273218,SrLaMnRuO6,-8.0733715505,-2.5991664847,0.0963110672,0.0963110672,GGA+U,P1,ABC6DE_aP10_1_a_a_6a_a_a:La-Mn-O-Ru-Sr,20.0,ABC6DE_hR30_146_a_a_2b_a_a:La-Mn-O-Ru-Sr +mp-699363,SrLaMnRuO6,-8.0913272445,-2.6171221787,0.0783553732,0.0783553732,GGA+U,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mn-O-Ru-Sr +mp-39239,SrLaMnRuO6,-8.075914906,-2.6017098402,0.0937677117,0.0937677117,GGA+U,R3,ABC6DE_hR30_146_a_a_2b_a_a:La-Mn-O-Ru-Sr,10.0,ABC6DE_hR30_146_a_a_2b_a_a:La-Mn-O-Ru-Sr +mp-1218729,Sr2La2Mg(RuO4)3,-7.6994384365,-2.5977007704,0.0071555317,0.0071555317,GGA,P1,A2BC12D3E2_aP20_1_2a_a_12a_3a_2a:La-Mg-O-Ru-Sr,20.0,A2BC12D3E2_aP20_1_2a_a_12a_3a_2a:La-Mg-O-Ru-Sr +mp-703283,Sr2La2Mg(RuO4)3,-7.6857222575,-2.5839845914,0.0208717107,0.0208717107,GGA,P2_1/c,A2BC12D3E2_mP40_14_e_a_6e_be_e:La-Mg-O-Ru-Sr,40.0,"Invalid WP multiplicities - A2BC12D3E2_mP40_14_e_a_23e_2be_e:La-Mg-O-Ru-Sr, expected Sr2La2Mg(Ru2O23)2 to be Sr2La2Mg(RuO4)3" +mp-1173635,Sr18La2MgRu9O40,-7.1920784329,-2.5746448939,0.0164623317,0.0164623317,GGA,C2/m,A2BC40D9E18_mC140_12_i_a_ef10i4j_d4i_9i:La-Mg-O-Ru-Sr,70.0,"Invalid WP multiplicities - A2BC40D9E18_mC140_12_i_a_2e2f20i16j_c8i_17i:La-Mg-O-Ru-Sr, expected Sr34La2MgRu17O112 to be Sr18La2MgRu9O40" +mp-1173267,Sr2La2MgMnO8,-7.6890915393,-3.1471768144,0.0452684538,0.0452684538,GGA+U,C2/m,A2BCD8E2_mC56_12_2i_i_i_ac7i_2i:La-Mg-Mn-O-Sr,28.0,"Invalid WP multiplicities - A2BCD8E2_mC56_12_3i_i_i_ac12i_4i:La-Mg-Mn-O-Sr, expected Sr4La3MgMnO13 to be Sr2La2MgMnO8" +mp-1218813,Sr2La2MgMnO8,-7.7123963439,-3.170481619,0.0219636491,0.0219636491,GGA+U,Pmm2,A2BCD8E2_oP28_25_2abc_ab_cd_2a2b2c2d2i_bc2d:La-Mg-Mn-O-Sr,28.0,A2BCD8E2_oP28_25_2abc_ab_cd_2a2b2c2d2i_bc2d:La-Mg-Mn-O-Sr +mp-1218803,Sr2La2MgMnO8,-7.6362955786,-3.0943808537,0.0980644145,0.0980644145,GGA+U,P4/mmm,A2BCD8E2_tP14_123_g_c_b_efgh_h:La-Mg-Mn-O-Sr,56.0,A2BCD8E2_tP14_123_g_c_b_efgh_h:La-Mg-Mn-O-Sr +mp-2217312,SrLaMgMnRuO6,-7.5705214173,-2.4484913529,0.3439426026,0.3439426026,GGA+U,P1,ABCD6EF_aP11_1_a_a_a_6a_a_a:La-Mg-Mn-O-Ru-Sr,11.0,ABCD6EF_aP11_1_a_a_a_6a_a_a:La-Mg-Mn-O-Ru-Sr +mp-1218208,SrLaMgRuO6,-7.5290804015,-2.8110488599,0.0,-0.0349029128,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:La-Mg-O-Ru-Sr,20.0,ABC6DE_mP20_7_a_a_6a_a_a:La-Mg-O-Ru-Sr +mp-1218547,Sr3La3Mn3RuO14,-8.0744823021,-2.8290409667,0.1426550892,0.1426550892,GGA+U,Amm2,A3B3C14DE3_oC48_38_a2b_a2b_3a3b2f_a_2ab:La-Mn-O-Ru-Sr,24.0,A3B3C14DE3_oC48_38_a2b_a2b_3a3b2f_a_2ab:La-Mn-O-Ru-Sr +mp-1197655,K5U4VS4O33,-7.4165683012,-2.3189498377,0.1819015272,0.1819015272,GGA+U,P4/n,A5B33C4D4E_tP94_85_ag_c8g_g_g_c:K-O-S-U-V,94.0,A5B33C4D4E_tP94_85_ag_c8g_g_g_c:K-O-S-U-V +mp-556679,Na2Ca3Si3O10,-7.3541193375,-3.2205253692,0.0,-0.01025987,GGA,C2/c,A3B2C10D3_mC72_15_cf_f_5f_ef:Ca-Na-O-Si,36.0,"Invalid WP multiplicities - A3B2C10D3_mC72_15_2a2f_f_16f_ef:Ca-Na-O-Si, expected Na2Ca6Si3O32 to be Na2Ca3Si3O10" +mp-1020641,Rb2Ca2(SiO3)3,-7.3411222578,-3.168095983,0.0,-0.0210264366,GGA,Pc,A2B9C2D3_mP32_7_2a_9a_2a_3a:Ca-O-Rb-Si,32.0,A2B9C2D3_mP32_7_2a_9a_2a_3a:Ca-O-Rb-Si +mp-555342,Na2CaSiO4,-6.5327074884,-2.7998670707,0.0662296327,0.0662296327,GGA,P2_13,AB2C4D_cP32_198_a_2a_ab_a:Ca-Na-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_cP32_198_a_6a_4a4b_a:Ca-Na-O-Si, expected Na6CaSiO16 to be Na2CaSiO4" +mp-1104298,NaCaSiO4,-6.8995439164,-2.8223727667,0.0733981199,0.0733981199,GGA,P2_1/m,ABC4D_mP14_11_a_e_2ef_e:Ca-Na-O-Si,14.0,ABC4D_mP14_11_a_e_2ef_e:Ca-Na-O-Si +mp-1104706,NaCaSiO4,-6.8942690207,-2.8170978709,0.0786730156,0.0786730156,GGA,C222_1,ABC4D_oC28_20_b_a_2c_a:Ca-Na-O-Si,14.0,ABC4D_oC28_20_b_a_2c_a:Ca-Na-O-Si +mp-1219651,RbNaCaTh(Si2O5)4,-8.1242761792,-3.3099375554,0.0,-0.0005067796,GGA,P-42c,ABC20DE8F_tP64_112_b_d_5n_e_2n_a:Ca-Na-O-Rb-Si-Th,64.0,"Invalid WP multiplicities - ABC20DE8F_tP64_112_b_d_13n_e_6n_a:Ca-Na-O-Rb-Si-Th, expected RbNaCaTh(Si6O13)4 to be RbNaCaTh(Si2O5)4" +mp-1193367,NaCa2(SiO3)3,-7.5333470267,-3.1246885237,0.0458642702,0.0458642702,GGA,P-1,A2BC9D3_aP30_2_2i_i_9i_3i:Ca-Na-O-Si,30.0,A2BC9D3_aP30_2_2i_i_9i_3i:Ca-Na-O-Si +mp-1221806,Na2Ca2(SiO3)3,-7.3766084853,-3.1608333079,0.0071202235,0.0071202235,GGA,C2,A2B2C9D3_mC192_5_ab5c_6c_2a26c_9c:Ca-Na-O-Si,96.0,"Invalid WP multiplicities - A2B2C9D3_mC192_5_ab9c_10c_2a52c_18c:Ca-Na-O-Si, expected Na10Ca10Si18O53 to be Na2Ca2(SiO3)3" +mp-1221449,Na2Ca2(SiO3)3,-7.3389353013,-3.1231601239,0.0447934076,0.0447934076,GGA,R3m,A2B2C9D3_hR96_160_ab_ab_4bc_2b:Ca-Na-O-Si,32.0,A2B2C9D3_hR96_160_ab_ab_4bc_2b:Ca-Na-O-Si +mp-555528,Ca2Th(Si2O5)4,-8.392547769,-3.4325033666,0.0020622272,0.0020622272,GGA,I422,A2B20C8D_tI62_97_c_j2k_k_a:Ca-O-Si-Th,31.0,"Invalid WP multiplicities - A2B20C8D_tI62_97_c_4j10k_k_a:Ca-O-Si-Th, expected Ca2Th(SiO12)8 to be Ca2Th(Si2O5)4" +mp-1210654,Na5Ca4(SiO3)6,-7.1474537049,-3.0193527665,0.0716416232,0.0716416232,GGA,P3_1,A4B5C18D6_hP99_144_4a_5a_18a_6a:Ca-Na-O-Si,99.0,A4B5C18D6_hP99_144_4a_5a_18a_6a:Ca-Na-O-Si +mp-1194623,Rb2Th(Si2O5)3,-8.138273499,-3.2996416138,0.0,-0.0265537181,GGA,P-1,A15B2C6D_aP96_2_30i_4i_12i_2i:O-Rb-Si-Th,96.0,A15B2C6D_aP96_2_30i_4i_12i_2i:O-Rb-Si-Th +mp-558087,Na2Ca3(Si3O8)2,-7.7048464546,-3.2470398699,0.0002450749,0.0002450749,GGA,P-1,A3B2C16D6_aP54_2_3i_2i_16i_6i:Ca-Na-O-Si,54.0,"Invalid WP multiplicities - A3B2C16D6_aP54_2_5i_3i_31i_12i:Ca-Na-O-Si, expected Na3Ca5Si12O31 to be Na2Ca3(Si3O8)2" +mp-1189550,Ce5CuPb3,-5.3261157367,-0.3369386639,0.0,-0.0249572324,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ce-Cu-Pb,18.0,A5BC3_hP18_193_dg_b_g:Ce-Cu-Pb +mp-1018900,PrCuPb,-4.570529805,-0.3729433067,0.0013058993,0.0013058993,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:Cu-Pb-Pr,6.0,ABC_hP6_194_c_d_a:Cu-Pb-Pr +mp-1218877,Sr2CePrCu3(PbO5)2,-6.7154219637,-2.3321175911,0.0173900636,0.0173900636,GGA,P1,AB3C10D2EF2_aP19_1_a_3a_10a_2a_a_2a:Ce-Cu-O-Pb-Pr-Sr,19.0,AB3C10D2EF2_aP19_1_a_3a_10a_2a_a_2a:Ce-Cu-O-Pb-Pr-Sr +mp-1218727,Sr2PrCu3(PbO4)2,-6.2499467206,-2.0339269393,0.0193675324,0.0193675324,GGA,P-1,A3B8C2DE2_aP16_2_ai_4i_i_b_i:Cu-O-Pb-Pr-Sr,16.0,"Invalid WP multiplicities - A3B8C2DE2_aP16_2_ai_6i_i_b_i:Cu-O-Pb-Pr-Sr, expected Sr2PrCu3(PbO6)2 to be Sr2PrCu3(PbO4)2" +mp-1096897,CeCuPb,-4.87862303,-0.2969753983,0.0,-0.0300196781,GGA,P6_3mc,ABC_hP6_186_a_b_b:Ce-Cu-Pb,6.0,ABC_hP6_186_a_b_b:Ce-Cu-Pb +mp-1987249,K2VPCO7,-7.411494559,-2.3637034805,0.0735335517,0.0631550769,GGA+U,P1,AB2C7DE_aP48_1_4a_8a_28a_4a_4a:C-K-O-P-V,48.0,AB2C7DE_aP48_1_4a_8a_28a_4a_4a:C-K-O-P-V +mp-1646256,K2VPCO7,-7.4470782567,-2.3992871782,0.037949854,0.0275713791,GGA+U,P-1,AB2C7DE_aP48_2_2i_4i_14i_2i_2i:C-K-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-V +mp-754947,K2VPCO7,-7.4850281106,-2.4372370321,0.0,-0.0103784748,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-K-O-P-V +mp-754544,K3VPCO7,-7.1311225727,-2.386207812,0.011088107,0.011088107,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-V,26.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-K-O-P-V +mp-755407,KVPCO7,-7.7953754414,-2.3896396236,0.0241382105,0.0241382105,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-V,44.0,ABC7DE_mP22_4_a_a_7a_a_a:C-K-O-P-V +mp-534778,NaCa2ScZn2(SiO3)6,-7.6550549795,-3.1291221008,0.0252819829,0.0252819829,GGA,C2/c,A2BC18DE6F2_mC120_15_2e_e_9f_e_3f_2e:Ca-Na-O-Sc-Si-Zn,60.0,"Invalid WP multiplicities - A2BC18DE6F2_mC120_15_3e_e_35f_e_8f_3e:Ca-Na-O-Sc-Si-Zn, expected NaCa3ScZn3(Si8O35)2 to be NaCa2ScZn2(SiO3)6" +mp-720704,NaCa9ScZn9(SiO3)20,-7.4818426296,-3.0583349388,0.0379320795,0.0379320795,GGA,C2,A9BC60DE20F9_mC200_5_a4c_b_30c_b_10c_a4c:Ca-Na-O-Sc-Si-Zn,100.0,"Invalid WP multiplicities - A9BC60DE20F9_mC200_5_a8c_b_58c_b_18c_a8c:Ca-Na-O-Sc-Si-Zn, expected NaCa17ScZn17(Si9O29)4 to be NaCa9ScZn9(SiO3)20" +mp-1221261,Na3CaSc3Zn(SiO3)8,-7.9567270473,-3.2478920474,0.0103282246,0.0103282246,GGA,P2,AB3C24D3E8F_mP40_3_a_bcd_12e_abd_4e_c:Ca-Na-O-Sc-Si-Zn,40.0,"Invalid WP multiplicities - AB3C24D3E8F_mP40_3_a_bcd_24e_acd_8e_b:Ca-Na-O-Sc-Si-Zn, expected Na3CaSc3Zn(SiO3)16 to be Na3CaSc3Zn(SiO3)8" +mp-720987,Na3CaSc3Zn(SiO3)8,-7.737041506,-3.0282065061,0.2300137658,0.2300137658,GGA,P2/c,AB3C24D3E8F_mP80_13_e_e2f_12g_2ef_4g_f:Ca-Na-O-Sc-Si-Zn,80.0,"Invalid WP multiplicities - AB3C24D3E8F_mP80_13_e_2e3f_47g_3e2f_13g_f:Ca-Na-O-Sc-Si-Zn, expected Na5CaSc5Zn(Si13O47)2 to be Na3CaSc3Zn(SiO3)8" +mp-1248585,Na3CaSc3Zn(SiO3)8,-7.74866107,-3.0398260701,0.2183942018,0.2183942018,GGA,P2/c,AB3C24D3E8F_mP80_13_e_e2f_12g_2ef_4g_f:Ca-Na-O-Sc-Si-Zn,80.0,"Invalid WP multiplicities - AB3C24D3E8F_mP80_13_e_2e3f_47g_3e2f_13g_f:Ca-Na-O-Sc-Si-Zn, expected Na5CaSc5Zn(Si13O47)2 to be Na3CaSc3Zn(SiO3)8" +mp-1221120,NaCa3ScZn3(SiO3)8,-7.5941698042,-3.1048173498,0.0288234962,0.0288234962,GGA,P2,A3BC24DE8F3_mP40_3_abc_d_12e_b_4e_acd:Ca-Na-O-Sc-Si-Zn,40.0,"Invalid WP multiplicities - A3BC24DE8F3_mP40_3_abc_d_24e_c_8e_abd:Ca-Na-O-Sc-Si-Zn, expected NaCa3ScZn3(SiO3)16 to be NaCa3ScZn3(SiO3)8" +mp-693463,NaCa3ScZn3(SiO3)8,-7.5941869216,-3.1048344672,0.0288063789,0.0288063789,GGA,P2/c,A3BC24DE8F3_mP80_13_2ef_f_12g_e_4g_e2f:Ca-Na-O-Sc-Si-Zn,80.0,"Invalid WP multiplicities - A3BC24DE8F3_mP80_13_2e3f_e_45g_f_13g_3e2f:Ca-Na-O-Sc-Si-Zn, expected NaCa5ScZn5(Si13O45)2 to be NaCa3ScZn3(SiO3)8" +mp-705485,NaCa5ScZn5(SiO3)12,-7.5293904525,-3.0766184223,0.0362591861,0.0362591861,GGA,C2,A5BC36DE12F5_mC120_5_a2c_b_18c_b_6c_a2c:Ca-Na-O-Sc-Si-Zn,60.0,"Invalid WP multiplicities - A5BC36DE12F5_mC120_5_a4c_b_34c_b_10c_a4c:Ca-Na-O-Sc-Si-Zn, expected NaCa9ScZn9(Si5O17)4 to be NaCa5ScZn5(SiO3)12" +mp-1221076,NaCaScZn(SiO3)4,-7.7758375975,-3.1767438703,0.0191866887,0.0191866887,GGA,C2,ABC12DE4F_mC40_5_a_b_6c_a_2c_b:Ca-Na-O-Sc-Si-Zn,20.0,ABC12DE4F_mC40_5_a_b_6c_a_2c_b:Ca-Na-O-Sc-Si-Zn +mp-684991,NaCaScZn(SiO3)4,-7.7762715892,-3.1771778621,0.0187526969,0.0187526969,GGA,P2/c,ABC12DE4F_mP40_13_e_f_6g_e_2g_f:Ca-Na-O-Sc-Si-Zn,40.0,"Invalid WP multiplicities - ABC12DE4F_mP40_13_e_f_24g_e_6g_f:Ca-Na-O-Sc-Si-Zn, expected NaCaScZn(SiO4)12 to be NaCaScZn(SiO3)4" +mp-1218170,SrLaTlCuO5,-6.49399201,-2.2916815732,0.0236963361,0.0236963361,GGA,P4mm,ABC5DE_tP9_99_a_b_2abc_b_a:Cu-La-O-Sr-Tl,9.0,ABC5DE_tP9_99_a_b_2abc_b_a:Cu-La-O-Sr-Tl +mp-1095769,CaLaTl2,-1.4330117575,1.4837115621,1.9175823775,1.9175823775,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-La-Tl,4.0,ABC2_oI8_71_a_b_e:Ca-La-Tl +mp-972119,SrCaTl2,-2.5389238875,-0.4338289808,0.0041016125,0.0041016125,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Ca-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Ca-Sr-Tl +mp-1218536,Sr4CaLaTl2(Cu2O7)2,-6.1467498223,-2.1438522943,0.0105762356,0.0105762356,GGA,I4/mmm,AB4CD14E4F2_tI52_139_a_g_b_egm_2e_d:Ca-Cu-La-O-Sr-Tl,26.0,"Invalid WP multiplicities - AB4CD14E4F2_tI52_139_a_g_b_egm_4e_d:Ca-Cu-La-O-Sr-Tl, expected Sr8CaLaTl2(Cu2O7)2 to be Sr4CaLaTl2(Cu2O7)2" +mp-1208833,Sr2La2Tl2Cu3O10,-6.3232716395,-2.1263877167,0.0845272681,0.0845272681,GGA,I4/mmm,A3B2C10D2E2_tI38_139_ae_e_c2eg_e_e:Cu-La-O-Sr-Tl,19.0,A3B2C10D2E2_tI38_139_ae_e_c2eg_e_e:Cu-La-O-Sr-Tl +mp-20824,Sr2CaTlCu2O7,-5.9364481838,-2.046258626,0.0168867197,0.0168867197,GGA,P4/mmm,AB2C7D2E_tP13_123_b_h_ahi_g_c:Ca-Cu-O-Sr-Tl,13.0,AB2C7D2E_tP13_123_b_h_ahi_g_c:Ca-Cu-O-Sr-Tl +mp-1184399,Gd2MgRu,-9.9214108625,-0.164679095,0.053609713,0.053609713,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Gd-Mg-Ru,4.0,A2BC_cF16_225_c_a_b:Gd-Mg-Ru +mp-2217680,Sr2GdMgRuO6,-7.897040503599999,-2.6234110487,0.2781786405,0.2781786405,GGA,P1,ABC6DE2_aP11_1_a_a_6a_a_2a:Gd-Mg-O-Ru-Sr,11.0,ABC6DE2_aP11_1_a_a_6a_a_2a:Gd-Mg-O-Ru-Sr +mp-2217334,Sr2GdMgRuO6,-7.8066488591,-2.5330194042,0.368570285,0.368570285,GGA,C2/m,ABC6DE2_mC22_12_b_a_ij_c_i:Gd-Mg-O-Ru-Sr,11.0,ABC6DE2_mC22_12_b_a_ij_c_i:Gd-Mg-O-Ru-Sr +mp-2217691,Sr2GdMgRuO6,-7.7521596664,-2.4785302114,0.4230594777,0.4230594777,GGA,C2/m,ABC6DE2_mC22_12_c_a_ij_b_i:Gd-Mg-O-Ru-Sr,11.0,ABC6DE2_mC22_12_c_a_ij_b_i:Gd-Mg-O-Ru-Sr +mp-1080787,Sr2GdRuO6,-8.463304338,-2.8223399426,0.007303155,-0.0096426577,GGA,C2/m,AB6CD2_mC20_12_a_ij_d_i:Gd-O-Ru-Sr,10.0,AB6CD2_mC20_12_a_ij_d_i:Gd-O-Ru-Sr +mp-16796,Sr2GdRuO6,-8.470607493,-2.8296430976,0.0,-0.0169458127,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Gd-O-Ru-Sr,20.0,AB6CD2_mP20_14_a_3e_b_e:Gd-O-Ru-Sr +mp-1079192,Sr2GdRuO6,-8.456246577,-2.8152821816,0.014360916,-0.0025848967,GGA,I4/m,AB6CD2_tI20_87_a_eh_b_d:Gd-O-Ru-Sr,10.0,AB6CD2_tI20_87_a_eh_b_d:Gd-O-Ru-Sr +mp-1184422,Gd2CuRu,-10.6699243425,-0.28846092,0.0,-0.08657488,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cu-Gd-Ru,4.0,AB2C_cF16_225_a_c_b:Cu-Gd-Ru +mp-1218868,Sr2GdCu2RuO8,-7.5812082036,-2.2596771524,0.0310482286,0.0310482286,GGA,Amm2,A2BC8DE2_oC28_38_c_b_cdf_a_c:Cu-Gd-O-Ru-Sr,14.0,A2BC8DE2_oC28_38_c_b_cdf_a_c:Cu-Gd-O-Ru-Sr +mp-1104173,Sr2GdCu2RuO8,-7.5638311214,-2.2423000702,0.0484253107,0.0484253107,GGA,P4/mmm,A2BC8DE2_tP14_123_g_c_egi_b_h:Cu-Gd-O-Ru-Sr,14.0,A2BC8DE2_tP14_123_g_c_egi_b_h:Cu-Gd-O-Ru-Sr +mp-1194240,Sr2GdCu2RuO8,-7.5909115082,-2.269380457,0.0213449239,0.0213449239,GGA,P4/mbm,A2BC8DE2_tP28_127_e_c_egk_a_f:Cu-Gd-O-Ru-Sr,28.0,A2BC8DE2_tP28_127_e_c_egk_a_f:Cu-Gd-O-Ru-Sr +mp-2240990,Sr2GdMgCu2RuO8,-7.1677181207,-2.0942704696,0.3283495427,0.3283495427,GGA,P4/mmm,A2BCD8EF2_tP15_123_h_a_b_ehi_d_g:Cu-Gd-Mg-O-Ru-Sr,15.0,A2BCD8EF2_tP15_123_h_a_b_ehi_d_g:Cu-Gd-Mg-O-Ru-Sr +mp-1213042,Gd4MgRu,-11.4340594975,-0.2375309058,0.0,-0.1277448425,GGA,F-43m,A4BC_cF96_216_efg_e_e:Gd-Mg-Ru,24.0,A4BC_cF96_216_efg_e_e:Gd-Mg-Ru +mp-653154,Ba2Ca2Tl2Cu3O10,-5.8414638184,-1.9288878681,0.01706809,0.01706809,GGA,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Cu-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Ca-Cu-O-Tl +mp-1228620,Ba2Ca2Tl2Cu3O10,-5.8520792289,-1.9395032786,0.0064526795,0.0064526795,GGA,Imm2,A2B2C3D10E2_oI38_44_c_c_ac_ab4c_c:Ba-Ca-Cu-O-Tl,19.0,"Invalid WP multiplicities - A2B2C3D10E2_oI38_44_c_c_ac_ab6c_c:Ba-Ca-Cu-O-Tl, expected Ba2Ca2Tl2Cu3O14 to be Ba2Ca2Tl2Cu3O10" +mp-542197,Ba4Ca4Tl3Cu6O19,-5.9115246128,-1.984620328,0.0128562902,0.0128562902,GGA,I4/mmm,A4B4C6D19E3_tI72_139_2e_2e_3e_a3e3g_be:Ba-Ca-Cu-O-Tl,36.0,"Invalid WP multiplicities - A4B4C6D19E3_tI72_139_2e_3e_5e_a6e10g_b2e:Ba-Ca-Cu-O-Tl, expected Ba4Ca6Tl5Cu10O53 to be Ba4Ca4Tl3Cu6O19" +mp-1227794,BaSrCa2Tl(CuO3)3,-5.9771906276,-2.0477712329,0.0234450461,0.0234450461,GGA,Pm,AB2C3D9EF_mP17_6_a_2a_3b_4a5b_a_b:Ba-Ca-Cu-O-Sr-Tl,17.0,AB2C3D9EF_mP17_6_a_2a_3b_4a5b_a_b:Ba-Ca-Cu-O-Sr-Tl +mp-1204270,Ba8Ca8Tl7(Cu4O13)3,-5.8901587426,-1.9706122511,0.0004078119,0.0004078119,GGA,I4/mmm,A8B8C12D39E7_tI148_139_4e_4e_6e_a7e6g_b3e:Ba-Ca-Cu-O-Tl,,A8B8C12D39E7_tI148_139_4e_4e_6e_a7e6g_b3e:Ba-Ca-Cu-O-Tl +mp-632802,Ba2CaTlCu2O7,-5.9049459377,-1.9794515357,0.0444131798,0.0444131798,GGA,P4/mmm,A2BC2D7E_tP13_123_g_b_h_ahi_c:Ba-Ca-Cu-O-Tl,13.0,A2BC2D7E_tP13_123_g_b_h_ahi_c:Ba-Ca-Cu-O-Tl +mp-1228589,Ba2Ca3TlCu4O11,-6.0001089195,-2.0464043876,0.0254279592,0.0254279592,GGA,Pmm2,A2B3C4D11E_oP21_25_e_ce_2f_a2e3f_b:Ba-Ca-Cu-O-Tl,21.0,"Invalid WP multiplicities - A2B3C4D11E_oP21_25_e_ce_2f_a4e5f_b:Ba-Ca-Cu-O-Tl, expected Ba2Ca3TlCu4O19 to be Ba2Ca3TlCu4O11" +mp-1809443,Ba2CaTl2(CuO3)4,-5.5288574529,-1.4180990115,0.2410834185,0.2410834185,GGA,I4/mmm,A2BC4D12E2_tI42_139_e_a_2e_de2g_e:Ba-Ca-Cu-O-Tl,21.0,"Invalid WP multiplicities - A2BC4D12E2_tI42_139_e_a_4e_2d2e6g_e:Ba-Ca-Cu-O-Tl, expected Ba2CaTl2(CuO4)8 to be Ba2CaTl2(CuO3)4" +mp-1806359,Ba2CaTl2(CuO3)4,-5.5684436348,-1.4576851934,0.2014972365,0.2014972365,GGA,I4/mmm,A2BC4D12E2_tI42_139_e_a_2e_2e2g_e:Ba-Ca-Cu-O-Tl,21.0,"Invalid WP multiplicities - A2BC4D12E2_tI42_139_e_a_3e_4e6g_e:Ba-Ca-Cu-O-Tl, expected Ba2CaTl2(Cu3O16)2 to be Ba2CaTl2(CuO3)4" +mp-1229126,Ba2Ca4TlCu5O13,-6.0192833076,-2.0582441419,0.0249943988,0.0249943988,GGA,Pmm2,A2B4C5D13E_oP25_25_e_2e_b2f_abc2e3f_d:Ba-Ca-Cu-O-Tl,25.0,"Invalid WP multiplicities - A2B4C5D13E_oP25_25_e_2e_b2f_abc4e5f_d:Ba-Ca-Cu-O-Tl, expected Ba2Ca4TlCu5O21 to be Ba2Ca4TlCu5O13" +mp-1182569,Ba2Ca3Tl2(CuO3)4,-5.26175767,-1.3340564949,0.6461890459,0.6461890459,GGA,P1,A2B3C4D12E2_aP23_1_2a_3a_4a_12a_2a:Ba-Ca-Cu-O-Tl,23.0,A2B3C4D12E2_aP23_1_2a_3a_4a_12a_2a:Ba-Ca-Cu-O-Tl +mp-556574,Ba2Ca3Tl2(CuO3)4,-5.8874269387,-1.9597257636,0.0205197772,0.0205197772,GGA,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_de2g_e:Ba-Ca-Cu-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_4e_2d2e6g_e:Ba-Ca-Cu-O-Tl, expected Ba2Ca3Tl2(CuO4)8 to be Ba2Ca3Tl2(CuO3)4" +mp-556733,Ba2Ca3Tl2(CuO3)4,-5.9005043226,-1.9728031475,0.0074423933,0.0074423933,GGA,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Ca-Cu-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Ca-Cu-O-Tl, expected Ba2Ca3Tl2(Cu3O16)2 to be Ba2Ca3Tl2(CuO3)4" +mp-1356093,Ba4CaTl4(Cu3O10)2,-5.5225747526,-1.4465437105,0.2022812714,0.2022812714,GGA,P1,A4BC6D20E4_aP35_1_4a_a_6a_20a_4a:Ba-Ca-Cu-O-Tl,35.0,A4BC6D20E4_aP35_1_4a_a_6a_20a_4a:Ba-Ca-Cu-O-Tl +mp-6885,Ba2CaTl2(CuO4)2,-5.773464466,-1.8840805271,0.0059104023,0.0059104023,GGA,I4/mmm,A2BC2D8E2_tI30_139_e_a_e_2eg_e:Ba-Ca-Cu-O-Tl,15.0,"Invalid WP multiplicities - A2BC2D8E2_tI30_139_e_a_e_4e2g_e:Ba-Ca-Cu-O-Tl, expected Ba2CaTl2(CuO8)2 to be Ba2CaTl2(CuO4)2" +mp-573069,Ba2CaTl2(CuO4)2,-5.757849568,-1.8684656291,0.0215253003,0.0215253003,GGA,I4/mmm,A2BC2D8E2_tI30_139_e_a_e_deg_e:Ba-Ca-Cu-O-Tl,15.0,"Invalid WP multiplicities - A2BC2D8E2_tI30_139_e_a_e_2d2e4g_e:Ba-Ca-Cu-O-Tl, expected Ba2CaTl2(CuO12)2 to be Ba2CaTl2(CuO4)2" +mp-680433,Ba6Ca6Tl5Cu9O29,-5.877845938,-1.9558914415,0.0237871305,0.0237871305,GGA,P4/mmm,A6B6C9D29E5_tP55_123_2gh_2gh_bg3h_ae2g3h4i_cgh:Ba-Ca-Cu-O-Tl,55.0,"Invalid WP multiplicities - A6B6C9D29E5_tP55_123_4gh_4gh_b2g5h_a2e4g6h16i_cg2h:Ba-Ca-Cu-O-Tl, expected Ba10Ca10Tl7Cu15O89 to be Ba6Ca6Tl5Cu9O29" +mp-41918,SrLaNbZnO6,-7.792832001,-3.0261638534,0.1254668668,0.1254668668,GGA,F-43m,ABC6DE_cF40_216_c_a_f_d_b:La-Nb-O-Sr-Zn,10.0,ABC6DE_cF40_216_c_a_f_d_b:La-Nb-O-Sr-Zn +mp-2240064,SrLaMgNbZnO6,-7.2005427609,-2.7217280767,0.3729371307,0.3729371307,GGA,R3m,ABCD6EF_hR33_160_a_a_a_2b_a_a:La-Mg-Nb-O-Sr-Zn,11.0,"Invalid WP multiplicities - ABCD6EF_hR33_160_a_a_a_4b_a_a:La-Mg-Nb-O-Sr-Zn, expected SrLaMgNbZnO12 to be SrLaMgNbZnO6" +mp-1218413,Sr3Nb2ZnO9,-7.808850592,-3.0721150953,0.0221425557,0.0221425557,GGA,P-3m1,A2B9C3D_hP15_164_d_ei_ad_b:Nb-O-Sr-Zn,15.0,"Invalid WP multiplicities - A2B9C3D_hP15_164_d_2e3i_ad_b:Nb-O-Sr-Zn, expected Sr3Nb2ZnO24 to be Sr3Nb2ZnO9" +mp-556258,Na3BeAl(SiO4)2,-7.1062621273,-2.9811481056,0.0,-0.0108420848,GGA,P2_12_12,ABC3D8E2_oP30_18_b_a_ac_4c_c:Al-Be-Na-O-Si,30.0,"Invalid WP multiplicities - ABC3D8E2_oP30_18_b_a_a2c_14c_c:Al-Be-Na-O-Si, expected Na5BeAl(SiO14)2 to be Na3BeAl(SiO4)2" +mp-43188,Na8BeAl4Si7(BrO12)2,-7.0921464307,-2.9811522899,0.0410491571,0.0410491571,GGA,P-4,A4BC2D8E24F7_tP46_81_h_a_g_2h_6h_bcdh:Al-Be-Br-Na-O-Si,46.0,"Invalid WP multiplicities - A4BC2D8E24F7_tP46_81_h_a_g_2h_16h_bcd2h:Al-Be-Br-Na-O-Si, expected Na8BeAl4Si11(BrO32)2 to be Na8BeAl4Si7(BrO12)2" +mp-17183,Na2BeSiO4,-6.7619472816,-2.8123802407,0.0,-0.0115968341,GGA,P2_1/c,AB2C4D_mP32_14_e_2e_4e_e:Be-Na-O-Si,32.0,"Invalid WP multiplicities - AB2C4D_mP32_14_e_3e_7e_e:Be-Na-O-Si, expected Na3BeSiO7 to be Na2BeSiO4" +mp-6236,Na2BeSiO4,-6.7503544192,-2.8007873784,0.0115928623,-3.9717e-06,GGA,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Be-Na-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_2a_6a_9a_3a:Be-Na-O-Si, expected Na6Be2(SiO3)3 to be Na2BeSiO4" +mp-560829,Na2BeSiO4,-6.6558140341000005,-2.7062469932,0.1061332475,0.0945364134,GGA,Pca2_1,AB2C4D_oP64_29_2a_4a_8a_2a:Be-Na-O-Si,64.0,"Invalid WP multiplicities - AB2C4D_oP64_29_4a_10a_29a_4a:Be-Na-O-Si, expected Na10Be4Si4O29 to be Na2BeSiO4" +mp-556013,Na2Be(SiO3)2,-7.23047921,-2.9654581391,0.0,-0.0165983624,GGA,Fdd2,AB2C6D2_oF264_43_ab_2a2b_9b_2a2b:Be-Na-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oF264_43_ab_4a7b_31b_4a7b:Be-Na-O-Si, expected Na18Be3(Si9O31)2 to be Na2Be(SiO3)2" +mp-560438,Na2Be(SiO3)2,-7.1802268042,-2.9152057334,0.0502524058,0.0336540434,GGA,Fddd,AB2C6D2_oF264_70_af_eh_c4h_eh:Be-Na-O-Si,66.0,"Invalid WP multiplicities - AB2C6D2_oF264_70_2a2f_4e4h_4c29h_3e3h:Be-Na-O-Si, expected Na12Be3Si9O62 to be Na2Be(SiO3)2" +mp-1227693,Be12Al8Si24O73,-8.0538399902,-3.2149214461,0.0373563124,0.0373563124,GGA,I222,A8B12C73D24_oI234_23_efk_adg2k_b18k_6k:Al-Be-O-Si,117.0,"Invalid WP multiplicities - A8B12C73D24_oI234_23_2e2fk_adg2k_b72k_24k:Al-Be-O-Si, expected Be12Al12Si96O289 to be Be12Al8Si24O73" +mp-1221869,Na2Be3Si3O8,-6.6978459238,-2.3407988636,0.4738265944,0.4738265944,GGA,C2,A3B2C8D3_mC64_5_3c_2c_8c_3c:Be-Na-O-Si,32.0,A3B2C8D3_mC64_5_3c_2c_8c_3c:Be-Na-O-Si +mp-555606,Na10Be4Si4O17,-6.5458640369,-2.7179244767,0.0026511768,0.0026511768,GGA,P-43m,A4B10C17D4_cP35_215_e_cde_aei_e:Be-Na-O-Si,35.0,"Invalid WP multiplicities - A4B10C17D4_cP35_215_e_3c3d3e_a3e4i_e:Be-Na-O-Si, expected Na30Be4Si4O61 to be Na10Be4Si4O17" +mp-1227528,Be6Al4Si12O37,-8.0138994517,-3.1740676011,0.0517147483,0.0517147483,GGA,P622,A4B6C37D12_hP59_177_cd_fg_a3n_n:Al-Be-O-Si,59.0,"Invalid WP multiplicities - A4B6C37D12_hP59_177_2cd_fg_a7n_n:Al-Be-O-Si, expected Be6Al6Si12O85 to be Be6Al4Si12O37" +mp-727932,BeAlSiO5,-7.65693611,-2.9514673248000003,0.1563774272,0.1563774272,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Al-Be-O-Si,32.0,ABC5D_mP32_14_e_e_5e_e:Al-Be-O-Si +mp-727940,Be3Al2Si6O19,-7.922341494,-3.0807286957,0.0912906145,0.0912906145,GGA,P6/mcc,A2B3C19D6_hP60_192_c_f_alm_l:Al-Be-O-Si,60.0,A2B3C19D6_hP60_192_c_f_alm_l:Al-Be-O-Si +mp-555182,Na2Be2(SiO3)3,-7.4745451248,-3.0420433243,0.0,-0.0018674493,GGA,Pnma,A2B2C9D3_oP64_62_d_d_3c3d_3c:Be-Na-O-Si,64.0,"Invalid WP multiplicities - A2B2C9D3_oP64_62_d_d_12c19d_12c:Be-Na-O-Si, expected NaBeSi6O25 to be Na2Be2(SiO3)3" +mp-1210148,NaBe3Al2Si6O19,-7.8191662571,-3.0910724106,0.0926733181,0.0926733181,GGA,P6/mcc,A2B3CD19E6_hP62_192_c_f_b_alm_l:Al-Be-Na-O-Si,62.0,A2B3CD19E6_hP62_192_c_f_b_alm_l:Al-Be-Na-O-Si +mp-1197461,NaBeSi3O8,-7.5224507738,-2.836958317,0.1663102211,0.1663102211,GGA,C2/c,ABC8D3_mC104_15_f_f_ac7f_3f:Be-Na-O-Si,52.0,ABC8D3_mC104_15_f_f_ac7f_3f:Be-Na-O-Si +mp-1202648,NaBeSi3O8,-7.6104704167,-2.9249779599,0.0782905782,0.0782905782,GGA,C2/c,ABC8D3_mC104_15_f_f_2e7f_3f:Be-Na-O-Si,52.0,ABC8D3_mC104_15_f_f_2e7f_3f:Be-Na-O-Si +mp-1181968,NaBeSi3O8,-6.8708638833,-2.1853714265,0.8178971117,0.8178971117,GGA,Pnma,ABC8D3_oP104_62_d_ab_2c7d_3d:Be-Na-O-Si,104.0,ABC8D3_oP104_62_d_ab_2c7d_3d:Be-Na-O-Si +mp-728328,NaBeSi3O8,-7.6089916119,-2.9234991551,0.079769383,0.079769383,GGA,Pnma,ABC8D3_oP104_62_d_d_4c6d_3d:Be-Na-O-Si,104.0,ABC8D3_oP104_62_d_d_4c6d_3d:Be-Na-O-Si +mp-6030,Be3Al2(SiO3)6,-8.1063729688,-3.2683834778,0.0,-0.0015748239,GGA,P6/mcc,A2B3C18D6_hP58_192_c_f_lm_l:Al-Be-O-Si,58.0,A2B3C18D6_hP58_192_c_f_lm_l:Al-Be-O-Si +mp-39712,NaCaTaTiO6,-8.57685175,-3.3006990412,0.0124386015,0.0124386015,GGA,Pc,ABC6DE_mP20_7_a_a_6a_a_a:Ca-Na-O-Ta-Ti,20.0,"Invalid WP multiplicities - ABC6DE_mP20_7_a_a_12a_a_a:Ca-Na-O-Ta-Ti, expected NaCaTaTiO12 to be NaCaTaTiO6" +mp-677027,NaCa9TaTi9O30,-8.5201029995,-3.5062871729,0.0018207824,0.0018207824,GGA,Pm,A9BC30DE9_mP100_6_2a8c_2b_2a2b28c_c_9c:Ca-Na-O-Ta-Ti,100.0,"Invalid WP multiplicities - A9BC30DE9_mP100_6_2a12c_2b_2a2b46c_c_15c:Ca-Na-O-Ta-Ti, expected NaCa13TaTi15O48 to be NaCa9TaTi9O30" +mp-2713408,Na5Ta3Ti(SiO4)6,-8.2785376191,-3.115617398,0.0143278041,0.0143278041,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-Si-Ta-Ti,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-Si-Ta-Ti +mp-694049,NaCa4TaTi4(SiO5)5,-8.5001215733,-3.4106596122,0.0,-0.0002531544,GGA,P1,A4BC25D5EF4_aP80_1_8a_2a_50a_10a_2a_8a:Ca-Na-O-Si-Ta-Ti,80.0,A4BC25D5EF4_aP80_1_8a_2a_50a_10a_2a_8a:Ca-Na-O-Si-Ta-Ti +mp-705502,NaCa9TaTi9(SiO5)10,-8.4922294471,-3.4437576239,7.05992e-05,7.05992e-05,GGA,P1,A9BC50D10EF9_aP80_1_9a_a_50a_10a_a_9a:Ca-Na-O-Si-Ta-Ti,80.0,A9BC50D10EF9_aP80_1_9a_a_50a_10a_a_9a:Ca-Na-O-Si-Ta-Ti +mp-2712891,Na7CaTa3(SiO4)6,-7.8431638008,-3.0112358234,0.0465868391,0.0465868391,GGA,P3,AB7C24D6E3_hP123_143_2ab_2a2b2c5d_24d_6d_2a3b4c:Ca-Na-O-Si-Ta,123.0,AB7C24D6E3_hP123_143_2ab_2a2b2c5d_24d_6d_2a3b4c:Ca-Na-O-Si-Ta +mp-695426,Na7Ca3Ta7Ti3O30,-8.6108217134,-3.2035005636,0.0121519229,0.0121519229,GGA,P1,A3B7C30D7E3_aP100_1_6a_14a_60a_14a_6a:Ca-Na-O-Ta-Ti,100.0,A3B7C30D7E3_aP100_1_6a_14a_60a_14a_6a:Ca-Na-O-Ta-Ti +mp-693144,Na9CaTa9TiO30,-8.5625867163,-3.0240971254,0.0940702048,0.0940702048,GGA,Pm,AB9C30D9E_mP100_6_2a_2b8c_2a2b28c_9c_c:Ca-Na-O-Ta-Ti,100.0,"Invalid WP multiplicities - AB9C30D9E_mP100_6_2a_2b14c_2a2b51c_15c_c:Ca-Na-O-Ta-Ti, expected Na15CaTa15TiO53 to be Na9CaTa9TiO30" +mp-667209,Na3Ca2TaO6,-6.9948437371,-2.8684532756000003,0.0136772958,-0.054305578,GGA,P1,A2B3C6D_aP24_1_4a_6a_12a_2a:Ca-Na-O-Ta,24.0,A2B3C6D_aP24_1_4a_6a_12a_2a:Ca-Na-O-Ta +mp-18480,Na3Ca2TaO6,-7.0085210329,-2.8821305714000003,0.0,-0.0679828738,GGA,Fddd,A2B3C6D_oF96_70_e_ae_fh_b:Ca-Na-O-Ta,24.0,"Invalid WP multiplicities - A2B3C6D_oF96_70_e_2a2e_fh_b:Ca-Na-O-Ta, expected Na6Ca2TaO6 to be Na3Ca2TaO6" +mp-1210346,NaCa6Ti(Si2O9)2,-7.3149074563,-2.9151312726,0.3174177244,0.3174177244,GGA,P-1,A6BC18D4E_aP30_2_3i_a_9i_2i_c:Ca-Na-O-Si-Ti,30.0,A6BC18D4E_aP30_2_3i_a_9i_2i_c:Ca-Na-O-Si-Ti +mp-2715439,Na3TaTi(SiO4)3,-8.0472903401,-3.0794371325,0.0186291955,0.0186291955,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-Si-Ta-Ti,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-Si-Ta-Ti, expected Na3TaTi(SiO5)6 to be Na3TaTi(SiO4)3" +mp-2715475,Na3TaTi(SiO4)3,-8.0483169409,-3.0804637333,0.0176025947,0.0176025947,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-Si-Ta-Ti,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-Si-Ta-Ti, expected Na14Ta3Ti3(SiO4)18 to be Na3TaTi(SiO4)3" +mp-1221096,NaCa2Ta3O10,-8.9576920175,-3.3093204515,0.0464001385,0.0464001385,GGA,I-4m2,A2BC10D3_tI32_119_e_c_2e3f_ae:Ca-Na-O-Ta,16.0,"Invalid WP multiplicities - A2BC10D3_tI32_119_e_c_2e4f_ae:Ca-Na-O-Ta, expected NaCa2Ta3O12 to be NaCa2Ta3O10" +mp-2714429,Na2Ta2(SiO4)3,-8.525767492,-3.1575135724,0.0059883393,0.0059883393,GGA,C2/c,A2B12C3D2_mC76_15_ce_6f_ef_f:Na-O-Si-Ta,114.0,"Invalid WP multiplicities - A2B12C3D2_mC76_15_ae_72f_6e7f_f:Na-O-Si-Ta, expected NaTa(Si5O36)2 to be Na2Ta2(SiO4)3" +mp-2712878,Na7TaTi3(SiO4)6,-7.8267577025,-3.0444560444,0.0232864766,0.0232864766,GGA,P1,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-Si-Ta-Ti,123.0,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-Si-Ta-Ti +mp-20135,Na2Ca2Ta3O10,-8.5287239271,-3.1348139065,0.0617109253,0.0617109253,GGA,I4/mmm,A2B2C10D3_tI34_139_e_e_c2eg_ae:Ca-Na-O-Ta,17.0,"Invalid WP multiplicities - A2B2C10D3_tI34_139_e_e_c4e2g_ae:Ca-Na-O-Ta, expected Na2Ca2Ta3O18 to be Na2Ca2Ta3O10" +mp-558033,Na2Ca3Ta2O9,-7.9336520531,-3.1275518101,0.0674694312,0.0674694312,GGA,R32,A3B2C9D2_hR48_155_ac_c_ef_c:Ca-Na-O-Ta,16.0,"Invalid WP multiplicities - A3B2C9D2_hR48_155_a2c_c_e2f_c:Ca-Na-O-Ta, expected Na2Ca5Ta2O15 to be Na2Ca3Ta2O9" +mp-2715372,Na9CaTa5(SiO4)9,-8.0654551413,-3.0636906156,0.0275971425,0.0275971425,GGA,P1,AB9C36D9E5_aP120_1_2a_18a_72a_18a_10a:Ca-Na-O-Si-Ta,240.0,"Invalid WP multiplicities - AB9C36D9E5_aP120_1_3a_36a_144a_36a_20a:Ca-Na-O-Si-Ta, expected Na36Ca3Ta20(SiO4)36 to be Na9CaTa5(SiO4)9" +mp-2715480,Na9CaTa5(SiO4)9,-8.065892444,-3.0641279182,0.0271598399,0.0271598399,GGA,P1,AB9C36D9E5_aP360_1_6a_54a_216a_54a_30a:Ca-Na-O-Si-Ta,360.0,AB9C36D9E5_aP360_1_6a_54a_216a_54a_30a:Ca-Na-O-Si-Ta +mp-1173857,NaCa4TaTi4O15,-8.5321524335,-3.4527523863000003,0.0066129908,0.0066129908,GGA,P1,A4BC15DE4_aP100_1_16a_4a_60a_4a_16a:Ca-Na-O-Ta-Ti,100.0,A4BC15DE4_aP100_1_16a_4a_60a_4a_16a:Ca-Na-O-Ta-Ti +mp-1173852,Na2Ca3Ta2Ti3O15,-8.5645414843,-3.3539729961,0.0079072248,0.0079072248,GGA,P1,A3B2C15D2E3_aP100_1_12a_8a_60a_8a_12a:Ca-Na-O-Ta-Ti,100.0,A3B2C15D2E3_aP100_1_12a_8a_60a_8a_12a:Ca-Na-O-Ta-Ti +mp-694044,Na3Ca7Ta3Ti7O30,-8.545335680200001,-3.4003514125,0.0102713865,0.0102713865,GGA,P1,A7B3C30D3E7_aP100_1_14a_6a_60a_6a_14a:Ca-Na-O-Ta-Ti,100.0,A7B3C30D3E7_aP100_1_14a_6a_60a_6a_14a:Ca-Na-O-Ta-Ti +mp-677743,Na3Ca2Ta3Ti2O15,-8.5952518276,-3.2535148983,0.0108801663,0.0108801663,GGA,P1,A2B3C15D3E2_aP100_1_8a_12a_60a_12a_8a:Ca-Na-O-Ta-Ti,100.0,A2B3C15D3E2_aP100_1_8a_12a_60a_12a_8a:Ca-Na-O-Ta-Ti +mp-2716399,Na12Ca2Ta4(SiO4)9,-7.630963452,-2.9607845682,0.0629878778,0.0629878778,GGA,P3c1,A2B12C36D9E4_hP126_158_ab_abc3d_12d_3d_ab2c:Ca-Na-O-Si-Ta,126.0,A2B12C36D9E4_hP126_158_ab_abc3d_12d_3d_ab2c:Ca-Na-O-Si-Ta +mp-2713394,Na15CaTa11(SiO4)18,-8.2857576002,-3.1054469595,0.021022053,0.021022053,GGA,P1,AB15C72D18E11_aP117_1_a_15a_72a_18a_11a:Ca-Na-O-Si-Ta,117.0,AB15C72D18E11_aP117_1_a_15a_72a_18a_11a:Ca-Na-O-Si-Ta +mp-720689,Na4CaTa4TiO15,-8.6285051925,-3.1555998221,0.0113100862,0.0113100862,GGA,P1,AB4C15D4E_aP100_1_4a_16a_60a_16a_4a:Ca-Na-O-Ta-Ti,100.0,AB4C15D4E_aP100_1_4a_16a_60a_16a_4a:Ca-Na-O-Ta-Ti +mp-1214598,Ba2NdDyTi2Cu2O11,-7.8655591858,-3.0436719569,0.0249644158,0.0249644158,GGA,P4/mmm,A2B2CDE11F2_tP19_123_g_h_b_a_ch2i_h:Ba-Cu-Dy-Nd-O-Ti,19.0,A2B2CDE11F2_tP19_123_g_h_b_a_ch2i_h:Ba-Cu-Dy-Nd-O-Ti +mp-1225647,Dy2Ti12(CuO4)9,-8.1266052441,-2.7209589472,0.0546945457,0.0546945457,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Dy-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f4g_d_32g_ad3e3g:Cu-Dy-O-Ti, expected Dy2Ti30(Cu11O64)3 to be Dy2Ti12(CuO4)9" +mp-1225458,Dy2TiCuO6,-8.210254535,-3.1214140716,0.1781654055,0.1781654055,GGA,P-6m2,AB2C6D_hP10_187_c_g_abhi_f:Cu-Dy-O-Ti,10.0,"Invalid WP multiplicities - AB2C6D_hP10_187_c_g_ab2h2i_f:Cu-Dy-O-Ti, expected Dy2TiCuO10 to be Dy2TiCuO6" +mp-743624,Ca5DyTi5Fe(SiO5)6,-8.4751114835,-3.401469045,0.0052972436,0.0052972436,GGA+U,P1,A5BCD30E6F5_aP48_1_5a_a_a_30a_6a_5a:Ca-Dy-Fe-O-Si-Ti,48.0,A5BCD30E6F5_aP48_1_5a_a_a_30a_6a_5a:Ca-Dy-Fe-O-Si-Ti +mp-557020,Sr3Fe2Cu2Se2O5,-6.3511413636,-1.9274126042,0.0,-0.0157525092,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Fe-O-Se-Sr,14.0,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Fe-O-Se-Sr +mp-2232099,MgFe2(SeO5)2,-6.4914841467,-1.4915486441,0.1158254922,0.1158254922,GGA+U,C2,A2BC10D2_mC30_5_c_a_ab4c_ab:Fe-Mg-O-Se,15.0,A2BC10D2_mC30_5_c_a_ab4c_ab:Fe-Mg-O-Se +mp-2227600,Sr3MgFe2Cu2Se2O5,-5.8509812887,-1.6154824432,0.4075695184,0.4075695184,GGA+U,Immm,A2B2CD5E2F3_oI30_71_f_e_c_a2f_e_be:Cu-Fe-Mg-O-Se-Sr,15.0,"Invalid WP multiplicities - A2B2CD5E2F3_oI30_71_f_e_c_a3f_e_b2e:Cu-Fe-Mg-O-Se-Sr, expected Sr5MgFe2Cu2Se2O7 to be Sr3MgFe2Cu2Se2O5" +mp-558486,Fe2Cu3(SeO3)6,-6.0425274443,-1.2406816478,0.0113717943,-0.0016004544,GGA+U,P2_1/c,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-Fe-O-Se,58.0,"Invalid WP multiplicities - A3B2C18D6_mP58_14_2a2e_e_34e_9e:Cu-Fe-O-Se, expected FeCu3Se9O34 to be Fe2Cu3(SeO3)6" +mp-558202,Fe2Cu3(SeO3)6,-6.0538992386,-1.2520534421,0.0,-0.0129722487,GGA+U,P2_1/c,A3B2C18D6_mP58_14_ae_e_9e_3e:Cu-Fe-O-Se,58.0,"Invalid WP multiplicities - A3B2C18D6_mP58_14_2a2e_e_31e_7e:Cu-Fe-O-Se, expected FeCu3Se7O31 to be Fe2Cu3(SeO3)6" +mp-2230288,SrMgFe2(SeO3)4,-6.4219145665,-1.7432282481,0.0784705717,0.0784705717,GGA+U,Pm,A2BC12D4E_mP20_6_ab_a_2a2b4c_2a2b_b:Fe-Mg-O-Se-Sr,20.0,"Invalid WP multiplicities - A2BC12D4E_mP20_6_ab_a_2a2b7c_2a2b_b:Fe-Mg-O-Se-Sr, expected SrMgFe2(Se2O9)2 to be SrMgFe2(SeO3)4" +mp-2231155,SrMgFe2(SeO3)4,-6.3357627785,-1.6570764601,0.1646223597,0.1646223597,GGA+U,P2/m,A2BC12D4E_mP20_10_ce_a_mn2o_mn_b:Fe-Mg-O-Se-Sr,20.0,"Invalid WP multiplicities - A2BC12D4E_mP20_10_ch_a_2m2n6o_m2n_b:Fe-Mg-O-Se-Sr, expected SrMgFe2(Se3O16)2 to be SrMgFe2(SeO3)4" +mp-1217747,Tb2TiCuO6,-8.20366165,-3.1093053346,0.1832037525,0.1832037525,GGA,P-6m2,AB6C2D_hP10_187_c_abhi_g_f:Cu-O-Tb-Ti,10.0,"Invalid WP multiplicities - AB6C2D_hP10_187_c_ab2h2i_g_f:Cu-O-Tb-Ti, expected Tb2TiCuO10 to be Tb2TiCuO6" +mp-1521723,BaCaTbTiO6,-7.85922905,-3.2457725296,0.1700893829,0.1700893829,GGA,F-43m,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Tb-Ti,10.0,ABC6DE_cF40_216_c_d_f_a_b:Ba-Ca-O-Tb-Ti +mp-1228548,Ba2CaTb2Ti3(CuO7)2,-7.9723251583,-3.1285412705,0.0597101094,0.0597101094,GGA,P4mm,A2BC2D14E2F3_tP24_99_2a_a_2b_4b5c_2a_3b:Ba-Ca-Cu-O-Tb-Ti,24.0,"Invalid WP multiplicities - A2BC2D14E2F3_tP24_99_2a_a_2b_4b7c_2a_3b:Ba-Ca-Cu-O-Tb-Ti, expected Ba2CaTb2Ti3(CuO9)2 to be Ba2CaTb2Ti3(CuO7)2" +mp-1214744,Ba2Ca2TbTi3(CuO7)2,-7.7542313517,-3.0199793897,0.0607344332,0.0607344332,GGA,P4/mmm,A2B2C2D14EF3_tP24_123_h_h_g_e2g2i_c_bg:Ba-Ca-Cu-O-Tb-Ti,24.0,A2B2C2D14EF3_tP24_123_h_h_g_e2g2i_c_bg:Ba-Ca-Cu-O-Tb-Ti +mp-505223,Ba2Tb2Ti2Cu2O11,-7.8458028516,-3.0295052054,0.0560445468,0.0560445468,GGA,P4/mmm,A2B2C11D2E2_tP19_123_g_h_ch2i_ab_h:Ba-Cu-O-Tb-Ti,19.0,A2B2C11D2E2_tP19_123_g_h_ch2i_ab_h:Ba-Cu-O-Tb-Ti +mp-1221104,NaCaAlSi2O7,-7.6409411383,-3.2616779682,0.0132832787,0.0132832787,GGA,P2_1,ABCD7E2_mP24_4_a_a_a_7a_2a:Al-Ca-Na-O-Si,24.0,ABCD7E2_mP24_4_a_a_a_7a_2a:Al-Ca-Na-O-Si +mp-686735,NaCaAlSi2O7,-7.4575635129,-3.0783003427,0.1966609041,0.1966609041,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Al-Ca-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_26a_6a:Al-Ca-Na-O-Si, expected NaCaAl(Si3O13)2 to be NaCaAlSi2O7" +mp-1248468,NaCaAlSi2O7,-7.5124812415,-3.1332180713,0.1417431756,0.1417431756,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Al-Ca-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_26a_6a:Al-Ca-Na-O-Si, expected NaCaAl(Si3O13)2 to be NaCaAlSi2O7" +mp-1221098,NaCaAlSi2O7,-7.6372276554,-3.2579644852,0.0169967616,0.0169967616,GGA,Cmm2,ABCD7E2_oC48_35_c_d_e_abde2f_de:Al-Ca-Na-O-Si,24.0,"Invalid WP multiplicities - ABCD7E2_oC48_35_c_d_e_ab2d2e7f_2d2e:Al-Ca-Na-O-Si, expected NaCaAlSi4O19 to be NaCaAlSi2O7" +mp-686526,NaCaAlSi2O7,-7.4149104138,-3.0356472436,0.2393140033,0.2393140033,GGA,P-42_1m,ABCD7E2_tP48_113_ab_e_e_2c2e2f_2e:Al-Ca-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_tP48_113_ab_e_e_3c4e4f_3e:Al-Ca-Na-O-Si, expected Na2Ca2Al2(Si2O9)3 to be NaCaAlSi2O7" +mp-1173815,NaCaAlSi2O7,-7.5057836077,-3.1265204375,0.1484408093,0.1484408093,GGA,P-42_1m,ABCD7E2_tP48_113_ab_e_e_2c2e2f_2e:Al-Ca-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_tP48_113_ab_e_e_3c4e4f_3e:Al-Ca-Na-O-Si, expected Na2Ca2Al2(Si2O9)3 to be NaCaAlSi2O7" +mp-677223,NaCaAl3(SiO4)3,-7.7425760269,-3.2325224625,0.0979373767,0.0979373767,GGA,P1,A3BCD12E3_aP80_1_12a_4a_4a_48a_12a:Al-Ca-Na-O-Si,80.0,A3BCD12E3_aP80_1_12a_4a_4a_48a_12a:Al-Ca-Na-O-Si +mp-1227752,CaAl2Si4(ClO4)3,-7.1048502902,-2.7364912823000003,0.2500515746,0.2500515746,GGA,Cm,A2BC3D12E4_mC88_8_2b_2a_2a2b_4a10b_4b:Al-Ca-Cl-O-Si,44.0,"Invalid WP multiplicities - A2BC3D12E4_mC88_8_3b_2a_2a2b_4a12b_5b:Al-Ca-Cl-O-Si, expected CaAl3Si5Cl3O14 to be CaAl2Si4(ClO4)3" +mp-677067,Ca3Al4Si8(ClO12)2,-7.7590163251,-3.202449262,0.1325306329,0.1325306329,GGA,P1,A4B3C2D24E8_aP41_1_4a_3a_2a_24a_8a:Al-Ca-Cl-O-Si,41.0,A4B3C2D24E8_aP41_1_4a_3a_2a_24a_8a:Al-Ca-Cl-O-Si +mp-570703,Ca(AlCl4)2,-4.4339732514,-2.2262419041,0.0,-0.0319693423,GGA,I4_1/acd,A2BC8_tI88_142_e_a_2g:Al-Ca-Cl,44.0,"Invalid WP multiplicities - A2BC8_tI88_142_e_a_14g:Al-Ca-Cl, expected Ca(AlCl28)2 to be Ca(AlCl4)2" +mp-720971,Ca12Al11Si3Cl5O32,-7.3579664995,-3.4042965179,0.0,-0.0102945579,GGA,P1,A11B12C5D32E3_aP63_1_11a_12a_5a_32a_3a:Al-Ca-Cl-O-Si,63.0,A11B12C5D32E3_aP63_1_11a_12a_5a_32a_3a:Al-Ca-Cl-O-Si +mp-684921,Na3CaAl4Si8ClO24,-7.7330562022,-3.2226393961,0.0086240035,0.0086240035,GGA,P1,A4BCD3E24F8_aP41_1_4a_a_a_3a_24a_8a:Al-Ca-Cl-Na-O-Si,41.0,A4BCD3E24F8_aP41_1_4a_a_a_3a_24a_8a:Al-Ca-Cl-Na-O-Si +mp-1227373,CaAl2Si2(ClO4)2,-6.9883189673,-2.7471209267,0.3185950656,0.3185950656,GGA,R3m,A2BC2D8E2_hR135_160_c_3a_2b_4b2c_c:Al-Ca-Cl-O-Si,45.0,A2BC2D8E2_hR135_160_c_3a_2b_4b2c_c:Al-Ca-Cl-O-Si +mp-1102410,Ca2AlClO8,-5.29461221,-1.1963770483,0.8171895803,0.8171895803,GGA,P-1,AB2CD8_aP12_2_b_i_c_4i:Al-Ca-Cl-O,12.0,"Invalid WP multiplicities - AB2CD8_aP12_2_b_i_c_7i:Al-Ca-Cl-O, expected Ca2AlClO14 to be Ca2AlClO8" +mp-677078,Ca11AlSi3ClO18,-7.2954423682,-3.3844993664,0.0270091825,0.0270091825,GGA,Fmm2,AB11CD18E3_oF136_42_a_ac2e_a_b4c2de_ac:Al-Ca-Cl-O-Si,34.0,"Invalid WP multiplicities - AB11CD18E3_oF136_42_a_a2c5e_a_2b8c4d4e_ac:Al-Ca-Cl-O-Si, expected Ca25AlSi3ClO44 to be Ca11AlSi3ClO18" +mp-1227232,Ca6Al7ClO16,-7.4217830298,-3.4468434922,0.0,-0.030643818,GGA,I-42d,A7B6CD16_tI120_122_ade_c2d_b_4e:Al-Ca-Cl-O,60.0,"Invalid WP multiplicities - A7B6CD16_tI120_122_ade_c3d_b_5e:Al-Ca-Cl-O, expected Ca8Al7ClO20 to be Ca6Al7ClO16" +mp-1194183,Ca2SiSe4,-4.9573853714,-1.6116476999,0.0069660014,0.0069660014,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Ca-Se-Si,28.0,A2B4C_oP28_62_ac_2cd_c:Ca-Se-Si +mp-720985,CaEr15Si8Se11ClO28,-7.7710266787,-3.1970458491,0.0387342683,0.0387342683,GGA,Cm,ABC15D28E11F8_mC128_8_a_a_3a6b_8a10b_3a4b_4a2b:Ca-Cl-Er-O-Se-Si,64.0,"Invalid WP multiplicities - ABC15D28E11F8_mC128_8_a_a_3a12b_8a20b_3a8b_4a2b:Ca-Cl-Er-O-Se-Si, expected CaEr27Si8Se19ClO48 to be CaEr15Si8Se11ClO28" +mp-1218883,Sr2CeEuCu2RuO10,-7.5198246218,-2.4310728068,0.042231141,0.042231141,GGA,Cm,AB2CD10EF2_mC34_8_a_2a_a_2a4b_a_2a:Ce-Cu-Eu-O-Ru-Sr,17.0,AB2CD10EF2_mC34_8_a_2a_a_2a4b_a_2a:Ce-Cu-Eu-O-Ru-Sr +mp-1227819,Ca8Al11Fe(Si3O13)4,-7.856084996,-3.236468523,0.0814541934,0.0814541934,GGA+U,Pm,A11B8CD52E12_mP84_6_a2b4c_4a4b_a_14a14b12c_6a6b:Al-Ca-Fe-O-Si,84.0,"Invalid WP multiplicities - A11B8CD52E12_mP84_6_a2b8c_4a4b_a_14a14b24c_6a6b:Al-Ca-Fe-O-Si, expected Ca8Al19Fe(Si3O19)4 to be Ca8Al11Fe(Si3O13)4" +mp-1227897,Ca8Al11Fe(Si3O13)4,-7.8577309057,-3.2381144328,0.0798082837,0.0798082837,GGA+U,Pm,A11B8CD52E12_mP84_6_a2b4c_4a4b_a_14a14b12c_6a6b:Al-Ca-Fe-O-Si,84.0,"Invalid WP multiplicities - A11B8CD52E12_mP84_6_a2b8c_4a4b_a_14a14b24c_6a6b:Al-Ca-Fe-O-Si, expected Ca8Al19Fe(Si3O19)4 to be Ca8Al11Fe(Si3O13)4" +mp-1196208,Ca2Al2FeSi3O13,-7.865251181,-3.0769045159,0.078783485,0.078783485,GGA+U,P2_1/m,A2B2CD13E3_mP42_11_ad_2e_e_7e3f_3e:Al-Ca-Fe-O-Si,42.0,A2B2CD13E3_mP42_11_ab_2e_e_7e3f_3e:Al-Ca-Fe-O-Si +mp-1228303,Ca2Al2FeSi3O13,-7.5972344352,-2.8088877702,0.3468002307,0.3468002307,GGA+U,P2_1/m,A2B2CD13E3_mP42_11_2e_2e_a_c6e3f_3e:Al-Ca-Fe-O-Si,42.0,A2B2CD13E3_mP42_11_2e_2e_a_c6e3f_3e:Al-Ca-Fe-O-Si +mp-1227902,Ca3AlFe(SiO4)3,-7.9214303668,-3.2279996015,0.0038210249,0.0038210249,GGA+U,Ia-3,AB3CD12E3_cI160_206_a_d_b_2e_d:Al-Ca-Fe-O-Si,80.0,AB3CD12E3_cI160_206_a_d_b_2e_d:Al-Ca-Fe-O-Si +mp-1214122,CaCeAlFe2Si3O13,-8.23356095,-3.0332173966,0.0537844037,0.0537844037,GGA+U,P2_1/m,ABCD2E13F3_mP42_11_a_e_e_de_7e3f_3e:Al-Ca-Ce-Fe-O-Si,42.0,ABCD2E13F3_mP42_11_a_e_e_be_7e3f_3e:Al-Ca-Ce-Fe-O-Si +mp-1229253,CaCe4Si3O13,-8.6794239714,-3.6165256935,0.0,-0.0170564089,GGA,P6_3,AB4C13D3_hP42_173_b_bc_a4c_c:Ca-Ce-O-Si,42.0,AB4C13D3_hP42_173_b_bc_a4c_c:Ca-Ce-O-Si +mp-1201269,CaCeAl2FeSi3O13,-8.223868935,-3.2484989711,0.0515451018,0.0515451018,GGA+U,P2_1/m,A2BCDE13F3_mP42_11_ad_e_e_e_7e3f_3e:Al-Ca-Ce-Fe-O-Si,42.0,A2BCDE13F3_mP42_11_ab_e_e_e_7e3f_3e:Al-Ca-Ce-Fe-O-Si +mp-1218731,Sr5CeNd3Cu4PbO18,-6.915836005,-2.6084963403,0.0512449557,0.0512449557,GGA,Amm2,AB4C3D18EF5_oC64_38_a_2a2b_a2b_3a3b3f_b_3a2b:Ce-Cu-Nd-O-Pb-Sr,32.0,AB4C3D18EF5_oC64_38_a_2a2b_a2b_3a3b3f_b_3a2b:Ce-Cu-Nd-O-Pb-Sr +mp-1218726,Sr2NdCu3(PbO4)2,-6.2570229331,-2.0418005469,0.0179925593,0.0179925593,GGA,P-1,A3BC8D2E2_aP16_2_ai_b_4i_i_i:Cu-Nd-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_aP16_2_ai_b_6i_i_i:Cu-Nd-O-Pb-Sr, expected Sr2NdCu3(PbO6)2 to be Sr2NdCu3(PbO4)2" +mp-653811,Sr2NdCu3(PbO4)2,-6.2540213287,-2.0387989426,0.0209941636,0.0209941636,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Nd-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2g2h2i_h_g:Cu-Nd-O-Pb-Sr, expected Sr2NdCu3(PbO8)2 to be Sr2NdCu3(PbO4)2" +mp-1173197,Sr8Ce5Nd3(CuO12)2,-7.3776746538,-2.9870846988,0.3692266075,0.3692266075,GGA,Pm,A5B2C3D24E8_mP42_6_2a3b_c_ac_7a7b5c_4c:Ce-Cu-Nd-O-Sr,42.0,"Invalid WP multiplicities - A5B2C3D24E8_mP42_6_2a3b_c_ac_7a7b7c_5c:Ce-Cu-Nd-O-Sr, expected Sr10Ce5Nd3(CuO14)2 to be Sr8Ce5Nd3(CuO12)2" +mp-1218827,Sr9Nd3Cu12(PbO4)8,-6.1627479447,-1.9956295269,0.0308821542,0.0308821542,GGA,C2/m,A12B3C32D8E9_mC128_12_6i_ai_8i4j_4i_c4i:Cu-Nd-O-Pb-Sr,64.0,"Invalid WP multiplicities - A12B3C32D8E9_mC128_12_11i_a2i_15i16j_8i_d7i:Cu-Nd-O-Pb-Sr, expected Sr15Nd5Cu22(Pb8O47)2 to be Sr9Nd3Cu12(PbO4)8" +mp-1096779,Ba4Ce(CuO3)3,-6.5879672456,-2.4452138735,0.0176137759,0.0176137759,GGA,Pm-3n,A4BC3D9_cP34_223_e_a_b_cf:Ba-Ce-Cu-O,34.0,"Invalid WP multiplicities - A4BC3D9_cP34_223_e_a_b_3c3f:Ba-Ce-Cu-O, expected Ba4Ce(CuO9)3 to be Ba4Ce(CuO3)3" +mp-1097227,Sr2HgSb,-1.3957434025,0.5571737254,1.4116659233,1.4116659233,GGA,Immm,ABC2_oI8_71_a_b_e:Hg-Sb-Sr,4.0,ABC2_oI8_71_a_b_e:Hg-Sb-Sr +mp-1096362,Sr2HgBi,-1.2390181825,0.6417709179000001,1.3841608056,1.3841608056,GGA,Immm,ABC2_oI8_71_a_b_e:Bi-Hg-Sr,4.0,ABC2_oI8_71_a_b_e:Bi-Hg-Sr +mp-1218732,Sr7Cu2HgBiSbO15,-6.1325828839,-2.3363469981,0.0165752805,0.0165752805,GGA,Pmma,AB2CD15EF7_oP54_51_e_2f_e_ad3fij3k_f_egl:Bi-Cu-Hg-O-Sb-Sr,54.0,AB2CD15EF7_oP54_51_e_2f_e_ad3fij3k_f_egl:Bi-Cu-Hg-O-Sb-Sr +mp-1096378,SrHg2Bi,-0.7802277625,0.7541080658,1.2074920569,1.2074920569,GGA,Immm,AB2C_oI8_71_a_e_b:Bi-Hg-Sr,4.0,AB2C_oI8_71_a_e_b:Bi-Hg-Sr +mp-1225851,Cu2Bi3Sb3O14,-6.2586504486,-1.6513537937,0.0342693727,0.0342693727,GGA,R-3m,A3B2C14D3_hR66_166_d_ab_c2h_e:Bi-Cu-O-Sb,22.0,"Invalid WP multiplicities - A3B2C14D3_hR66_166_d_ab_c9h_e:Bi-Cu-O-Sb, expected Cu2Bi3Sb3O56 to be Cu2Bi3Sb3O14" +mp-2217102,MgTa2CuO6,-8.590392876,-2.6808754513,0.317960104,0.317960104,GGA,Imm2,ABC6D2_oI20_44_a_b_abe_c:Cu-Mg-O-Ta,10.0,"Invalid WP multiplicities - ABC6D2_oI20_44_a_b_ab2e_c:Cu-Mg-O-Ta, expected MgTa2CuO10 to be MgTa2CuO6" +mp-1045955,Mg2Ta2CuO8,-8.2902380304,-2.8603278981,0.0728092924,0.0728092924,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Cu-Mg-O-Ta,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Cu-Mg-O-Ta, expected Mg2Ta2CuO10 to be Mg2Ta2CuO8" +mp-1344257,Mg2TaCuO6,-7.3899637885,-2.5061961218,0.1435709539,0.1435709539,GGA,P2_1/m,AB2C6D_mP20_11_a_2e_2e2f_d:Cu-Mg-O-Ta,20.0,"Invalid WP multiplicities - AB2C6D_mP20_11_a_3e_4e7f_c:Cu-Mg-O-Ta, expected Mg3TaCuO18 to be Mg2TaCuO6" +mp-1327669,MgTa2CuO7,-8.5798643192,-2.7578767775,0.1398702889,0.1398702889,GGA,P2/c,ABC7D2_mP66_13_eg_eg_f10g_3g:Cu-Mg-O-Ta,66.0,"Invalid WP multiplicities - ABC7D2_mP66_13_2e3g_2e3g_2f38g_9g:Cu-Mg-O-Ta, expected Mg4Ta9Cu4O39 to be MgTa2CuO7" +mp-1040927,MgTa2(CuO4)2,-8.0847131473,-2.4625778904,0.1345051796,0.1345051796,GGA,P2_1/c,A2BC8D2_mP52_14_2e_e_8e_2e:Cu-Mg-O-Ta,52.0,"Invalid WP multiplicities - A2BC8D2_mP52_14_6e_e_26e_5e:Cu-Mg-O-Ta, expected MgTa5(Cu3O13)2 to be MgTa2(CuO4)2" +mp-2230737,MgTa4(CuO6)2,-8.9044179521,-2.7680985603,0.1412966692,0.1412966692,GGA,P2,A2BC12D4_mP19_3_bc_a_6e_2b2c:Cu-Mg-O-Ta,19.0,"Invalid WP multiplicities - A2BC12D4_mP19_10_bc_e_m2n4o_2ik:Cu-Mg-O-Ta, expected MgTa6(CuO11)2 to be MgTa4(CuO6)2" +mp-2228333,MgTa4(CuO6)2,-8.7967635979,-2.6604442061,0.2489510234,0.2489510234,GGA,P-4,A2BC12D4_tP19_81_g_a_3h_2g:Cu-Mg-O-Ta,19.0,"Invalid WP multiplicities - A2BC12D4_tP19_81_g_a_6h_4g:Cu-Mg-O-Ta, expected MgTa8(CuO12)2 to be MgTa4(CuO6)2" +mp-1102721,LaTa2CuClO7,-8.7425995242,-2.9737556347,0.0588816716,0.0588816716,GGA,P4/mmm,ABCD7E2_tP12_123_c_a_d_bgi_g:Cl-Cu-La-O-Ta,12.0,ABCD7E2_tP12_123_c_a_d_bgi_g:Cl-Cu-La-O-Ta +mp-2219163,LaMgTa2CuClO7,-8.3385208854,-2.8903357528,0.2483846035,0.2483846035,GGA,Pmm2,ABCDE7F2_oP13_25_c_b_c_a_2a3b2d_2b:Cl-Cu-La-Mg-O-Ta,13.0,ABCDE7F2_oP13_25_c_b_c_a_2a3b2d_2b:Cl-Cu-La-Mg-O-Ta +mp-2218929,LaMgTa2CuClO7,-8.2360787054,-2.7878935728,0.3508267835,0.3508267835,GGA,P4mm,ABCDE7F2_tP13_99_a_b_a_a_3b2c_2b:Cl-Cu-La-Mg-O-Ta,13.0,ABCDE7F2_tP13_99_a_b_a_a_3b2c_2b:Cl-Cu-La-Mg-O-Ta +mp-1097033,K3V2P2O8F3,-7.1531107703,-2.8401351821,0.0205757131,0.0205757131,GGA+U,Cmc2_1,A3B3C8D2E2_oC72_36_ab_3a_4b_b_b:F-K-O-P-V,36.0,A3B3C8D2E2_oC72_36_ab_3a_4b_b_b:F-K-O-P-V +mp-818268,K2V3P2O13F2,-7.3112873057,-2.3826949285,0.1504812246,0.1504812246,GGA+U,P-1,A2B2C13D2E3_aP44_2_2i_2i_13i_2i_3i:F-K-O-P-V,44.0,A2B2C13D2E3_aP44_2_2i_2i_13i_2i_3i:F-K-O-P-V +mp-1239185,KVPO4F,-7.5145398588,-2.8513096917,0.0,-0.0403941976,GGA+U,Pna2_1,ABC4DE_oP64_33_2a_2a_8a_2a_2a:F-K-O-P-V,64.0,ABC4DE_oP64_33_2a_2a_8a_2a_2a:F-K-O-P-V +mp-1233116,Sr4Sm2MgTa2O12,-7.9873891676,-3.1839965044,0.2282696937,0.2282696937,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta +mp-1233834,Sr4Sm2MgTa2O12,-8.0322301829,-3.2288375196,0.1834286785,0.1834286785,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta +mp-1233900,Sr4Sm2MgTa2O12,-7.9730103743,-3.169617711,0.2426484871,0.2426484871,GGA,P1,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta,21.0,AB12C2D4E2_aP21_1_a_12a_2a_4a_2a:Mg-O-Sm-Sr-Ta +mp-1173254,Sr2SmTa(CuO4)2,-7.6267157314,-2.7890533242,0.0145354929,0.0145354929,GGA,C2/m,A2B8CD2E_mC56_12_j_g3i2j_i_2i_e:Cu-O-Sm-Sr-Ta,28.0,"Invalid WP multiplicities - A2B8CD2E_mC56_12_j_2g6i7j_i_3i_f:Cu-O-Sm-Sr-Ta, expected Sr3SmTa(CuO11)2 to be Sr2SmTa(CuO4)2" +mp-20087,Sr2SmTa(CuO4)2,-7.6102770929,-2.7726146856,0.0309741314,0.0309741314,GGA,P4/mmm,A2B8CD2E_tP14_123_g_egi_c_h_b:Cu-O-Sm-Sr-Ta,14.0,A2B8CD2E_tP14_123_g_egi_c_h_b:Cu-O-Sm-Sr-Ta +mp-2232379,Sr2SmMgTa(CuO4)2,-7.0721121727,-2.4502752559,0.4567245552,0.4567245552,GGA,P4/mmm,A2BC8DE2F_tP15_123_h_a_fhi_b_g_c:Cu-Mg-O-Sm-Sr-Ta,15.0,A2BC8DE2F_tP15_123_h_a_fhi_b_g_c:Cu-Mg-O-Sm-Sr-Ta +mp-1233102,La2MgCo2Sb2(PbO6)2,-6.8821610214,-2.0853757355,0.239132314,0.239132314,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb +mp-1233404,La2MgCo2Sb2(PbO6)2,-6.8917101124,-2.0949248264,0.2295832231,0.2295832231,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb +mp-1233463,La2MgCo2Sb2(PbO6)2,-6.938877169,-2.1420918831,0.1824161664,0.1824161664,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb +mp-1233848,La2MgCo2Sb2(PbO6)2,-6.9083564905,-2.1115712045,0.212936845,0.212936845,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb +mp-1234106,La2MgCo2Sb2(PbO6)2,-6.9783938071,-2.1816085212,0.1428995283,0.1428995283,GGA+U,P1,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb,21.0,A2B2CD12E2F2_aP21_1_2a_2a_a_12a_2a_2a:Co-La-Mg-O-Pb-Sb +mp-2231603,Ba2Nd4Mg(CuO5)2,-7.0568899758,-2.7318310225,0.3052284789,0.3052284789,GGA,Pm,A2B2CD4E10_mP19_6_2a_2a_a_4b_2b4c:Ba-Cu-Mg-Nd-O,19.0,"Invalid WP multiplicities - A2B2CD4E10_mP19_6_2a_2a_a_4b_2b8c:Ba-Cu-Mg-Nd-O, expected Ba2Nd4Mg(CuO9)2 to be Ba2Nd4Mg(CuO5)2" +mp-10062,Ba2NdNb(CuO4)2,-7.4242598714,-2.6757366298000003,0.0048043077,0.0048043077,GGA,P4/mmm,A2B2CDE8_tP14_123_h_g_b_c_egi:Ba-Cu-Nb-Nd-O,14.0,A2B2CDE8_tP14_123_h_g_b_c_egi:Ba-Cu-Nb-Nd-O +mp-2232363,Ba2NdMgNb(CuO4)2,-7.0357700533,-2.4971296912,0.3067979893,0.3067979893,GGA,Amm2,A2B2CDEF8_oC30_38_c_c_a_b_a_cef:Ba-Cu-Mg-Nb-Nd-O,15.0,A2B2CDEF8_oC30_38_c_c_a_b_a_cef:Ba-Cu-Mg-Nb-Nd-O +mp-2232323,Ba2NdMgNb(CuO4)2,-6.9566605807,-2.4180202185,0.385907462,0.385907462,GGA,P4/mmm,A2B2CDEF8_tP15_123_g_h_a_c_b_fhi:Ba-Cu-Mg-Nb-Nd-O,15.0,A2B2CDEF8_tP15_123_g_h_a_c_b_fhi:Ba-Cu-Mg-Nb-Nd-O +mp-2219968,Nd2MgNb2O8,-8.6326492254,-3.1778265573,0.1821831518,0.1821831518,GGA,P1,AB2C2D8_aP13_1_a_2a_2a_8a:Mg-Nb-Nd-O,13.0,"Invalid WP multiplicities - AB2C2D8_aP13_2_a_i_i_8i:Mg-Nb-Nd-O, expected Nd2MgNb2O16 to be Nd2MgNb2O8" +mp-2219399,Nd2MgNb2O8,-8.5002601785,-3.0454375104,0.3145721987,0.3145721987,GGA,C2,AB2C2D8_mC26_5_a_ab_ab_4c:Mg-Nb-Nd-O,13.0,AB2C2D8_mC26_5_a_ab_ab_4c:Mg-Nb-Nd-O +mp-2228520,Ba2NdMgCu3O7,-6.1324578921,-2.0516851528,0.2804735007,0.2804735007,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_a_b_3a2c2d:Ba-Cu-Mg-Nd-O,14.0,A2B3CDE7_oP14_25_2b_3c_a_b_3a2c2d:Ba-Cu-Mg-Nd-O +mp-2228550,Ba2NdMgCu3O7,-6.1237030836,-2.0429303442,0.2892283093,0.2892283093,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_a_b_2a2c3d:Ba-Cu-Mg-Nd-O,14.0,A2B3CDE7_oP14_25_2b_3c_a_b_2a2c3d:Ba-Cu-Mg-Nd-O +mp-2228583,Ba2NdMgCu3O7,-6.0776727729,-1.9969000335,0.33525862,0.33525862,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_a_b_2a2c3d:Ba-Cu-Mg-Nd-O,14.0,A2B3CDE7_oP14_25_2b_3c_a_b_2a2c3d:Ba-Cu-Mg-Nd-O +mp-2240134,Ba2NdMgNbO6,-7.27440069,-2.7300539018,0.4221280591,0.4221280591,GGA,C2/m,A2BCDE6_mC22_12_i_a_c_b_ij:Ba-Mg-Nb-Nd-O,11.0,A2BCDE6_mC22_12_i_b_c_a_ij:Ba-Mg-Nb-Nd-O +mp-40251,BaLaMgTaO6,-8.43879136,-3.4394741608,0.0795657015,0.0795657015,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mg-O-Ta,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-La-Mg-O-Ta +mp-2228606,Ba2LaMgCu3O7,-6.1471187729,-2.0543560569,0.2890899614,0.2890899614,GGA,Pmm2,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-La-Mg-O,14.0,A2B3CDE7_oP14_25_2b_3c_b_a_2a2c3d:Ba-Cu-La-Mg-O +mp-615682,Ba2LaTa(CuO4)2,-7.6644343171,-2.7784587711,0.0,-0.0029499271,GGA,P4/mmm,A2B2CD8E_tP14_123_h_g_c_egi_b:Ba-Cu-La-O-Ta,14.0,"Invalid WP multiplicities - A2B2CD8E_tP14_123_h_g_c_2e2gi_b:Ba-Cu-La-O-Ta, expected Ba2LaTa(CuO6)2 to be Ba2LaTa(CuO4)2" +mp-2232472,Ba2LaMgTa(CuO4)2,-7.241150992,-2.5742218123,0.3247076487,0.3247076487,GGA,Amm2,A2B2CDE8F_oC30_38_c_c_a_a_cef_b:Ba-Cu-La-Mg-O-Ta,15.0,"Invalid WP multiplicities - A2B2CDE8F_oC30_38_c_c_a_a_2c2ef_b:Ba-Cu-La-Mg-O-Ta, expected Ba2LaMgTa(CuO6)2 to be Ba2LaMgTa(CuO4)2" +mp-2232457,Ba2LaMgTa(CuO4)2,-7.15435344,-2.4874242603,0.4115052007,0.4115052007,GGA,P4/mmm,A2B2CDE8F_tP15_123_g_h_a_b_ehi_d:Ba-Cu-La-Mg-O-Ta,15.0,"Invalid WP multiplicities - A2B2CDE8F_tP15_123_g_h_a_b_2e2hi_d:Ba-Cu-La-Mg-O-Ta, expected Ba2LaMgTa(CuO6)2 to be Ba2LaMgTa(CuO4)2" +mp-1221962,Na12Ca3Fe2(SiO3)12,-7.2032164488,-2.8645740557,0.0180486206,0.0180486206,GGA+U,Pm,A3B2C12D36E12_mP65_6_2ab_ab_2a2b4c_4a4b14c_2a2b4c:Ca-Fe-Na-O-Si,65.0,"Invalid WP multiplicities - A3B2C12D36E12_mP65_6_2ab_ab_2a2b8c_4a4b28c_2a2b8c:Ca-Fe-Na-O-Si, expected Na20Ca3Fe2(Si5O16)4 to be Na12Ca3Fe2(SiO3)12" +mp-1565615,NaCaFe2(SiO3)4,-7.9345466918,-2.8680614793,0.0081574483,0.0081574483,GGA+U,P2,AB2CD12E4_mP40_3_ad_abcd_bc_12e_4e:Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - AB2CD12E4_mP40_3_ac_abcd_bd_24e_8e:Ca-Fe-Na-O-Si, expected NaCaFe2(SiO3)8 to be NaCaFe2(SiO3)4" +mp-694890,NaCaFe2(SiO3)4,-7.936560845,-2.8700756326,0.006143295,0.006143295,GGA+U,C2,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Ca-Fe-Na-O-Si,20.0,AB2CD12E4_mC40_5_a_ab_b_6c_2c:Ca-Fe-Na-O-Si +mp-720248,Na9CaFe10(SiO3)20,-7.7962419918,-2.7570797628,0.0038479214,0.0038479214,GGA+U,P1,AB10C9D60E20_aP100_1_a_10a_9a_60a_20a:Ca-Fe-Na-O-Si,100.0,AB10C9D60E20_aP100_1_a_10a_9a_60a_20a:Ca-Fe-Na-O-Si +mp-1221188,NaCa3Fe(SiO3)8,-7.5040108319,-2.6950265223,0.2364679982,0.2364679982,GGA+U,P2,A3BCD24E8_mP37_3_abd_a_c_12e_4e:Ca-Fe-Na-O-Si,37.0,"Invalid WP multiplicities - A3BCD24E8_mP37_3_acd_a_b_24e_8e:Ca-Fe-Na-O-Si, expected NaCa3Fe(SiO3)16 to be NaCa3Fe(SiO3)8" +mp-1173803,Na3CaFe4(SiO3)8,-7.8440071229,-2.7945987752,0.0095631254,0.0095631254,GGA+U,P1,AB4C3D24E8_aP120_1_3a_12a_9a_72a_24a:Ca-Fe-Na-O-Si,120.0,AB4C3D24E8_aP120_1_3a_12a_9a_72a_24a:Ca-Fe-Na-O-Si +mp-1252316,Na3CaFe4(SiO3)8,-7.659168127,-2.6097597792,0.1944021213,0.1944021213,GGA+U,P1,AB4C3D24E8_aP40_1_a_4a_3a_24a_8a:Ca-Fe-Na-O-Si,40.0,AB4C3D24E8_aP40_1_a_4a_3a_24a_8a:Ca-Fe-Na-O-Si +mp-698686,Na3CaFe4(SiO3)8,-7.6386730582,-2.5892647105,0.21489719,0.21489719,GGA+U,C2,AB4C3D24E8_mC80_5_a_abc_bc_12c_4c:Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - AB4C3D24E8_mC80_5_a_ab2c_bc_24c_7c:Ca-Fe-Na-O-Si, expected Na3CaFe6(Si7O24)2 to be Na3CaFe4(SiO3)8" +mp-1100794,Na3CaFe4(SiO3)8,-7.8382296575,-2.7888213097000003,0.0153405908,0.0153405908,GGA+U,C2,AB4C3D24E8_mC80_5_a_abc_bc_12c_4c:Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - AB4C3D24E8_mC80_5_a_abc_bc_21c_7c:Ca-Fe-Na-O-Si, expected Na3CaFe4(SiO3)14 to be Na3CaFe4(SiO3)8" +mp-1221093,NaCaFe(SiO3)4,-7.5858001553,-2.6984484164,0.1630848245,0.1630848245,GGA+U,C2,ABCD12E4_mC38_5_a_a_b_6c_2c:Ca-Fe-Na-O-Si,19.0,ABCD12E4_mC38_5_a_a_b_6c_2c:Ca-Fe-Na-O-Si +mp-695491,Na3Ca2Fe5(SiO3)10,-7.8737972485,-2.8141427819,0.0332533348,0.0332533348,GGA+U,P1,A2B5C3D30E10_aP100_1_4a_10a_6a_60a_20a:Ca-Fe-Na-O-Si,100.0,A2B5C3D30E10_aP100_1_4a_10a_6a_60a_20a:Ca-Fe-Na-O-Si +mp-818519,NaCa2Fe5(SiO3)8,-8.0442565045,-2.7990838942,0.0420759773,0.0420759773,GGA+U,C2/m,A2B5CD24E8_mC80_12_h_agh_b_2i5j_2j:Ca-Fe-Na-O-Si,40.0,A2B5CD24E8_mC80_12_h_agh_b_2i5j_2j:Ca-Fe-Na-O-Si +mp-684912,NaCa3Fe4(SiO3)8,-7.8341941917,-2.7506321147,0.1976438401,0.1976438401,GGA+U,C2,A3B4CD24E8_mC80_5_ac_abc_b_12c_4c:Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - A3B4CD24E8_mC80_5_ac_ab2c_b_24c_7c:Ca-Fe-Na-O-Si, expected NaCa3Fe6(Si7O24)2 to be NaCa3Fe4(SiO3)8" +mp-1173734,NaCa3Fe4(SiO3)8,-8.0214812168,-2.9379191397,0.0103568151,0.0103568151,GGA+U,C2,A3B4CD24E8_mC80_5_ac_abc_b_12c_4c:Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - A3B4CD24E8_mC80_5_ac_ab2c_b_24c_7c:Ca-Fe-Na-O-Si, expected NaCa3Fe6(Si7O24)2 to be NaCa3Fe4(SiO3)8" +mp-1221288,Na3CaFe(SiO3)8,-7.1473062454,-2.3752448865,0.3306459684,0.3306459684,GGA+U,C2,ABC3D24E8_mC74_5_b_a_ac_12c_4c:Ca-Fe-Na-O-Si,37.0,"Invalid WP multiplicities - ABC3D24E8_mC74_5_b_a_ac_21c_7c:Ca-Fe-Na-O-Si, expected Na3CaFe(SiO3)14 to be Na3CaFe(SiO3)8" +mp-1173823,NaCaAlFe(SiO3)4,-7.9103916395,-3.0801286961,0.0276726417,0.0276726417,GGA+U,P2,ABCDE12F4_mP80_3_ace_bde_bde_ace_24e_8e:Al-Ca-Fe-Na-O-Si,80.0,"Invalid WP multiplicities - ABCDE12F4_mP80_3_abe_cd2e_cde_ab2e_47e_15e:Al-Ca-Fe-Na-O-Si, expected Na3Ca3Al2Fe2Si15O47 to be NaCaAlFe(SiO3)4" +mp-1173750,NaCaAlFe(SiO3)4,-7.9036986267,-3.0734356832,0.0343656545,0.0343656545,GGA+U,C2,ABCDE12F4_mC120_5_ac_bc_bc_ac_18c_6c:Al-Ca-Fe-Na-O-Si,60.0,"Invalid WP multiplicities - ABCDE12F4_mC120_5_a2c_b2c_b2c_a2c_34c_10c:Al-Ca-Fe-Na-O-Si, expected Na5Ca5Al5Fe5(Si5O17)4 to be NaCaAlFe(SiO3)4" +mp-1221133,NaCa3AlFe3(SiO3)8,-8.0103038983,-3.0448529557,0.0199896398,0.0199896398,GGA+U,P2,AB3C3DE24F8_mP40_3_a_abd_bcd_c_12e_4e:Al-Ca-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - AB3C3DE24F8_mP40_3_a_acd_bcd_b_24e_8e:Al-Ca-Fe-Na-O-Si, expected NaCa3AlFe3(SiO3)16 to be NaCa3AlFe3(SiO3)8" +mp-725593,NaCa3AlFe3(SiO3)8,-8.0092735113,-3.0438225687,0.0210200268,0.0210200268,GGA+U,P2/c,AB3C3DE24F8_mP80_13_e_2ef_e2f_f_12g_4g:Al-Ca-Fe-Na-O-Si,80.0,"Invalid WP multiplicities - AB3C3DE24F8_mP80_13_e_3e2f_2e3f_f_45g_13g:Al-Ca-Fe-Na-O-Si, expected NaCa5AlFe5(Si13O45)2 to be NaCa3AlFe3(SiO3)8" +mp-1221226,Na4Al3Fe(SiO3)8,-7.7309777195,-3.0529796399,0.0241725417,0.0241725417,GGA+U,P2,A3BC4D24E8_mP40_3_abc_d_abcd_12e_4e:Al-Fe-Na-O-Si,40.0,"Invalid WP multiplicities - A3BC4D24E8_mP40_3_abc_d_abcd_24e_8e:Al-Fe-Na-O-Si, expected Na4Al3Fe(SiO3)16 to be Na4Al3Fe(SiO3)8" +mp-1221399,Na2AlFe(SiO3)4,-7.7410951755,-2.9449859614,0.0171504508,0.0171504508,GGA+U,C2,ABC2D12E4_mC40_5_a_b_ab_6c_2c:Al-Fe-Na-O-Si,20.0,ABC2D12E4_mC40_5_a_b_ab_6c_2c:Al-Fe-Na-O-Si +mp-720332,Na5CaAl5Fe(SiO3)12,-7.7789271027,-3.1289148248,0.0351309218,0.0351309218,GGA+U,C2,A5BCD5E36F12_mC120_5_a2c_b_b_a2c_18c_6c:Al-Ca-Fe-Na-O-Si,60.0,"Invalid WP multiplicities - A5BCD5E36F12_mC120_5_a4c_b_b_a4c_34c_10c:Al-Ca-Fe-Na-O-Si, expected Na9CaAl9Fe(Si5O17)4 to be Na5CaAl5Fe(SiO3)12" +mp-42298,Na6Al4Fe(Si4O13)2,-7.5718589991,-3.0517717319,0.0,-0.0024534461,GGA+U,P1,A4BC6D26E8_aP45_1_4a_a_6a_26a_8a:Al-Fe-Na-O-Si,45.0,"Invalid WP multiplicities - A4BC6D26E8_mC90_5_2c_a_5c_26c_8c:Al-Fe-Na-O-Si, expected Na10Al4Fe(Si4O13)4 to be Na6Al4Fe(Si4O13)2" +mp-39647,Na6Al4Fe(Si4O13)2,-7.5616086876,-3.0415214204,0.0102503116,0.0077968655,GGA+U,C2/m,A4BC6D26E8_mC90_12_j_a_3i_3i5j_2j:Al-Fe-Na-O-Si,45.0,"Invalid WP multiplicities - A4BC6D26E8_mC90_12_j_a_5i_6i19j_5j:Al-Fe-Na-O-Si, expected Na10Al4Fe(Si5O22)4 to be Na6Al4Fe(Si4O13)2" +mp-684864,Na6Al4Fe(Si4O13)2,-7.5715284809,-3.0514412137,0.0003305182,-0.0021229278,GGA+U,C2,A4BC6D26E8_mC90_5_2c_a_3c_13c_4c:Al-Fe-Na-O-Si,45.0,"Invalid WP multiplicities - A4BC6D26E8_mC90_5_2c_a_5c_26c_8c:Al-Fe-Na-O-Si, expected Na10Al4Fe(Si4O13)4 to be Na6Al4Fe(Si4O13)2" +mp-1233016,Sr2Pr2MgFe2(RuO6)2,-7.5671807281,-2.3581240375,0.1873431576,0.1873431576,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1233527,Sr2Pr2MgFe2(RuO6)2,-7.5807511295,-2.371694439,0.1737727561,0.1737727561,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1233533,Sr2Pr2MgFe2(RuO6)2,-7.5613333748,-2.3522766842,0.1931905109,0.1931905109,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1233864,Sr2Pr2MgFe2(RuO6)2,-7.5557853905,-2.3467286999,0.1987384952,0.1987384952,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1233868,Sr2Pr2MgFe2(RuO6)2,-7.527539529,-2.3184828385,0.2269843566,0.2269843566,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1234791,Sr2Pr2MgFe2(RuO6)2,-7.5547975905,-2.3457408999,0.1997262952,0.1997262952,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Mg-O-Pr-Ru-Sr +mp-1218058,SrPrMgRuO6,-7.475848598,-2.7733271914,0.0,-0.0358381453,GGA,Pc,AB6CDE_mP20_7_a_6a_a_a_a:Mg-O-Pr-Ru-Sr,20.0,AB6CDE_mP20_7_a_6a_a_a_a:Mg-O-Pr-Ru-Sr +mp-721039,Na2Ca6Mg7Fe(SiO3)16,-7.6767598427,-3.1943001172,0.0238602435,0.0238602435,GGA+U,C2,A6BC7D2E48F16_mC160_5_ab2c_a_a2b2c_ab_24c_8c:Ca-Fe-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - A6BC7D2E48F16_mC160_5_ab2c_a_a2b2c_ab_48c_12c:Ca-Fe-Mg-Na-O-Si, expected Na2Ca6Mg7Fe(SiO4)24 to be Na2Ca6Mg7Fe(SiO3)16" +mp-1221128,NaCa3MgFe(Si2O7)2,-7.6367873554,-3.1215981775,0.0209619961,0.0209619961,GGA+U,P1,A3BCDE14F4_aP24_1_3a_a_a_a_14a_4a:Ca-Fe-Mg-Na-O-Si,24.0,A3BCDE14F4_aP24_1_3a_a_a_a_14a_4a:Ca-Fe-Mg-Na-O-Si +mp-695670,NaCa3MgFe(Si2O7)2,-7.2235641623,-2.7083749843,0.4341851892,0.4341851892,GGA+U,Pma2,A3BCDE14F4_oP48_28_cd_a_b_c_4c5d_2cd:Ca-Fe-Mg-Na-O-Si,48.0,"Invalid WP multiplicities - A3BCDE14F4_oP48_28_cd_a_b_c_5c12d_4cd:Ca-Fe-Mg-Na-O-Si, expected NaCa3MgFeSi6O29 to be NaCa3MgFe(Si2O7)2" +mp-1227644,Ca4Mg3Fe(SiO3)8,-7.848502739,-3.2630943843,0.0027241493,0.0027241493,GGA+U,P1,A4BC3D24E8_aP40_1_4a_a_3a_24a_8a:Ca-Fe-Mg-O-Si,40.0,A4BC3D24E8_aP40_1_4a_a_3a_24a_8a:Ca-Fe-Mg-O-Si +mp-1221119,NaCa3Mg3Fe(SiO3)8,-7.7613678235,-3.1930363334,0.0009554822,0.0009554822,GGA+U,P2,A3BC3DE24F8_mP40_3_abc_b_acd_d_12e_4e:Ca-Fe-Mg-Na-O-Si,40.0,"Invalid WP multiplicities - A3BC3DE24F8_mP40_3_abc_c_abd_d_24e_8e:Ca-Fe-Mg-Na-O-Si, expected NaCa3Mg3Fe(SiO3)16 to be NaCa3Mg3Fe(SiO3)8" +mp-1221075,NaCaMgFe(SiO3)4,-7.7633347349,-3.0403365805,0.0,-0.0004606184,GGA+U,C2,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Ca-Fe-Mg-Na-O-Si,80.0,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Ca-Fe-Mg-Na-O-Si +mp-1227399,Ca2MgFe(SiO3)4,-7.9362510688,-3.179099185,0.0048908313,0.0048908313,GGA+U,C2,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ca-Fe-Mg-O-Si,40.0,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Ca-Fe-Mg-O-Si +mp-532705,Ca8Mg5Fe2(SiO3)16,-7.8542084577,-3.2310136687,0.0236879019,0.0236879019,GGA+U,C2,A8B2C5D48E16_mC158_5_ab3c_c_a2c_24c_8c:Ca-Fe-Mg-O-Si,79.0,"Invalid WP multiplicities - A8B2C5D48E16_mC158_5_ab6c_c_a4c_47c_15c:Ca-Fe-Mg-O-Si, expected Ca14Mg9Fe2(Si15O47)2 to be Ca8Mg5Fe2(SiO3)16" +mp-1219251,Sm2TiCuO6,-8.284962603,-3.1737622806,0.0741499703,0.0741499703,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Cu-O-Sm-Ti,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_5e_e_b:Cu-O-Sm-Ti, expected Sm2TiCuO10 to be Sm2TiCuO6" +mp-1214757,Ba2CaSm2Ti3(CuO7)2,-7.9539223317,-3.1031201076,0.0663441937,0.0663441937,GGA,P4/mmm,A2BC2D14E2F3_tP24_123_h_c_g_e2g2i_h_bg:Ba-Ca-Cu-O-Sm-Ti,24.0,A2BC2D14E2F3_tP24_123_h_c_g_e2g2i_h_bg:Ba-Ca-Cu-O-Sm-Ti +mp-1517119,BaSmTi4O12,-8.5534106017,-3.132310953,0.1661203156,0.1661203156,GGA,P4/mmm,AB12CD4_tP18_123_a_efr_d_i:Ba-O-Sm-Ti,18.0,"Invalid WP multiplicities - AB12CD4_tP18_123_a_2e2fr_d_i:Ba-O-Sm-Ti, expected BaSmTi4O16 to be BaSmTi4O12" +mp-1219316,Sm2Ti12(CuO4)9,-8.1313558481,-2.7219197447,0.0434373095,0.0434373095,GGA,P-3,A9B36C2D12_hP59_147_fg_6g_d_adeg:Cu-O-Sm-Ti,59.0,"Invalid WP multiplicities - A9B36C2D12_hP59_147_2f3g_32g_d_ad3e4g:Cu-O-Sm-Ti, expected SmTi18(CuO8)12 to be Sm2Ti12(CuO4)9" +mp-1214615,Ba2Sm2Ti2Cu2O11,-7.85229447,-3.027131557,0.0341690936,0.0341690936,GGA,P4/mmm,A2B2C11D2E2_tP19_123_g_h_ch2i_ab_h:Ba-Cu-O-Sm-Ti,19.0,A2B2C11D2E2_tP19_123_g_h_ch2i_ab_h:Ba-Cu-O-Sm-Ti +mp-1197030,BaSm2Ti3O10,-8.9387446584,-3.6569002602,0.0215688314,0.0215688314,GGA,Cmcm,AB10C2D3_oC64_63_c_a3c3f_2c_bf:Ba-O-Sm-Ti,32.0,AB10C2D3_oC64_63_c_a3c3f_2c_bf:Ba-O-Sm-Ti +mp-1209034,Sr2LaCu2(BiO4)2,-6.4261716213,-2.1749786012,0.0889892683,0.0889892683,GGA,Cccm,A2B2CD8E2_oC60_66_l_l_e_2g2l_l:Bi-Cu-La-O-Sr,30.0,A2B2CD8E2_oC60_66_l_l_e_2g2l_l:Bi-Cu-La-O-Sr +mp-1208803,Sr2LaCu2HgO6,-6.0411157908,-2.1663474588,0.1042450604,0.1042450604,GGA,P4/mmm,A2BCD6E2_tP12_123_g_a_d_gi_h:Cu-Hg-La-O-Sr,12.0,A2BCD6E2_tP12_123_g_a_d_gi_h:Cu-Hg-La-O-Sr +mp-1173233,Sr3LaCu2(BiO3)4,-6.1060465614,-1.8821773859,0.337992412,0.337992412,GGA,P1,A4B2CD12E3_aP22_1_4a_2a_a_12a_3a:Bi-Cu-La-O-Sr,22.0,A4B2CD12E3_aP22_1_4a_2a_a_12a_3a:Bi-Cu-La-O-Sr +mp-1187186,SrLaHg2,-2.33534551,-0.5271301879,0.0,-0.0121225125,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Hg-La-Sr,4.0,A2BC_cF16_225_c_a_b:Hg-La-Sr +mp-1173247,Sr3LaCu2HgBiO10,-6.19629695,-2.2066326493,0.0271707965,0.0271707965,GGA,P1,AB2CDE10F3_aP18_1_a_2a_a_a_10a_3a:Bi-Cu-Hg-La-O-Sr,18.0,AB2CDE10F3_aP18_1_a_2a_a_a_10a_3a:Bi-Cu-Hg-La-O-Sr +mp-1218533,Sr3LaCu2HgBiO10,-6.1300688372,-2.1404045365,0.0933989093,0.0933989093,GGA,Imm2,AB2CDE10F3_oI36_44_a_2a_a_b_4a2be_3b:Bi-Cu-Hg-La-O-Sr,18.0,AB2CDE10F3_oI36_44_a_2a_a_b_4a2be_3b:Bi-Cu-Hg-La-O-Sr +mp-686833,Sr7LaCu4(BiO3)8,-6.0071858114,-1.8571010371,0.3075365969,0.3075365969,GGA,P1,A8B4CD24E7_aP44_1_8a_4a_a_24a_7a:Bi-Cu-La-O-Sr,44.0,A8B4CD24E7_aP44_1_8a_4a_a_24a_7a:Bi-Cu-La-O-Sr +mp-1217801,SrTiNb2Bi2PbO12,-7.9528880532,-2.6612309261,0.0385193824,0.0385193824,GGA,I4mm,A2B2C12DEF_tI38_107_2a_2a_4a4b_a_a_a:Bi-Nb-O-Pb-Sr-Ti,19.0,"Invalid WP multiplicities - A2B2C12DEF_tI38_107_2a_2a_4a5b_a_a_a:Bi-Nb-O-Pb-Sr-Ti, expected SrTiNb2Bi2PbO14 to be SrTiNb2Bi2PbO12" +mp-1210352,Na2BeCl4,-3.9821506918,-2.0137778215,0.0,-0.0207967482,GGA,Pnma,AB4C2_oP28_62_c_2cd_ac:Be-Cl-Na,28.0,AB4C2_oP28_62_c_2cd_ac:Be-Cl-Na +mp-42508,Na4BeAlSi4ClO12,-7.1212445639,-2.9610200777,0.0462882948,0.0341814587,GGA,Cc,ABCD4E12F4_mC92_9_a_a_a_4a_12a_4a:Al-Be-Cl-Na-O-Si,46.0,"Invalid WP multiplicities - ABCD4E12F4_mC92_9_a_a_a_8a_22a_8a:Al-Be-Cl-Na-O-Si, expected Na8BeAlSi8ClO22 to be Na4BeAlSi4ClO12" +mp-23151,Na4BeAlSi4ClO12,-7.1675328587,-3.0073083724,0.0,-0.0121068361,GGA,I-4,ABCD4E12F4_tI46_82_a_b_c_g_3g_g:Al-Be-Cl-Na-O-Si,23.0,"Invalid WP multiplicities - ABCD4E12F4_tI46_82_a_b_c_g_7g_g:Al-Be-Cl-Na-O-Si, expected Na4BeAlSi4ClO28 to be Na4BeAlSi4ClO12" +mp-40201,Na8Be3Si9(ClO12)2,-7.1100628007,-2.9134561571,0.0367802278,0.0367802278,GGA,P1,A3B2C8D24E9_aP46_1_3a_2a_8a_24a_9a:Be-Cl-Na-O-Si,46.0,A3B2C8D24E9_aP46_1_3a_2a_8a_24a_9a:Be-Cl-Na-O-Si +mp-42583,Na8BeAl4Si7(ClO12)2,-7.1168540133,-2.9930116843,0.0532084215,0.0532084215,GGA,P-4,A4BC2D8E24F7_tP46_81_h_a_g_2h_6h_bcdh:Al-Be-Cl-Na-O-Si,46.0,"Invalid WP multiplicities - A4BC2D8E24F7_tP46_81_h_a_g_2h_20h_bcd2h:Al-Be-Cl-Na-O-Si, expected Na8BeAl4Si11(ClO40)2 to be Na8BeAl4Si7(ClO12)2" +mp-1214581,BaNd2Cu(MoO4)4,-8.2235258375,-2.4700218252,0.0456419929,0.0456419929,GGA+U,C2/c,ABC4D2E16_mC96_15_e_e_2f_f_8f:Ba-Cu-Mo-Nd-O,48.0,ABC4D2E16_mC96_15_e_e_2f_f_8f:Ba-Cu-Mo-Nd-O +mp-1228461,Ba3TiMoO8,-7.9548866154,-3.0263037972,0.0299370031,0.0299370031,GGA+U,R3m,A3BC8D_hR39_160_3a_a_2a2b_a:Ba-Mo-O-Ti,,A3BC8D_hR39_160_3a_a_2a2b_a:Ba-Mo-O-Ti +mp-1228694,Ba6Nd3TiCu6(MoO12)2,-7.252084114,-2.5206352268,0.0227632289,0.0227632289,GGA+U,C2/m,A6B6C2D3E24F_mC84_12_3i_3i_i_ci_e3i4j_a:Ba-Cu-Mo-Nd-O-Ti,42.0,"Invalid WP multiplicities - A6B6C2D3E24F_mC84_12_6i_5i_i_ci_2e5i14j_a:Ba-Cu-Mo-Nd-O-Ti, expected Ba12Nd3TiCu10(MoO35)2 to be Ba6Nd3TiCu6(MoO12)2" +mp-554492,NdCu(MoO4)2,-8.1155526667,-2.2712056656,0.0,-0.0024012428,GGA+U,Pbca,AB2CD8_oP96_61_c_2c_c_8c:Cu-Mo-Nd-O,96.0,"Invalid WP multiplicities - AB2CD8_oP96_61_c_6c_c_56c:Cu-Mo-Nd-O, expected NdCu(Mo3O28)2 to be NdCu(MoO4)2" +mp-1228035,Ba5Ti4MoO15,-8.3378880348,-3.288975093,0.014738949,0.014738949,GGA+U,Cmmm,A5BC15D4_oC50_65_a2g_c_bf2g2q_2h:Ba-Mo-O-Ti,25.0,"Invalid WP multiplicities - A5BC15D4_oC50_65_a4g_c_bf4g6q_3h:Ba-Mo-O-Ti, expected Ba9Ti6MoO35 to be Ba5Ti4MoO15" +mp-1214747,Ba2Ca2NdTi2(CuO6)2,-7.4987124719,-2.9288572823,0.0432857816,0.0432857816,GGA,I4/mmm,A2B2C2DE12F2_tI42_139_e_e_e_a_2e2g_e:Ba-Ca-Cu-Nd-O-Ti,21.0,A2B2C2DE12F2_tI42_139_e_e_e_a_2e2g_e:Ba-Ca-Cu-Nd-O-Ti +mp-1214800,Ba2Ca2EuTi3(CuO7)2,-7.9083625412,-2.9398340918,0.0621796369,0.0621796369,GGA,P4/mmm,A2B2C2DE14F3_tP24_123_h_h_g_c_e2g2i_bg:Ba-Ca-Cu-Eu-O-Ti,24.0,A2B2C2DE14F3_tP24_123_h_h_g_c_e2g2i_bg:Ba-Ca-Cu-Eu-O-Ti +mp-1226871,Eu2Ti12(CuO4)9,-8.2643462661,-2.6671672587,0.0383995479,0.0383995479,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Eu-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f4g_d_32g_ad3e3g:Cu-Eu-O-Ti, expected Eu2Ti30(Cu11O64)3 to be Eu2Ti12(CuO4)9" +mp-1225669,Eu2TiCuO6,-9.048496981,-2.8296135256,0.0581467665,0.0581467665,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-Eu-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Cu-Eu-O-Ti, expected Eu2TiCuO10 to be Eu2TiCuO6" +mp-1228757,Ba2CaEu2Ti3(CuO7)2,-8.3042229362,-2.9918860734,0.0328596224,0.0328596224,GGA,P4mm,A2BC2D2E14F3_tP24_99_2a_a_2b_2a_4b5c_3b:Ba-Ca-Cu-Eu-O-Ti,24.0,A2BC2D2E14F3_tP24_99_2a_a_2b_2a_4b5c_3b:Ba-Ca-Cu-Eu-O-Ti +mp-616471,Ba2Eu2Ti2Cu2O11,-8.26610212,-2.8579480844000003,0.0267700226,0.0267700226,GGA,P4/mmm,A2B2C2D11E2_tP19_123_g_h_ab_ch2i_h:Ba-Cu-Eu-O-Ti,19.0,"Invalid WP multiplicities - A2B2C2D11E2_tP19_123_g_h_ab_c2h4i_h:Ba-Cu-Eu-O-Ti, expected Ba2Eu2Ti2Cu2O21 to be Ba2Eu2Ti2Cu2O11" +mp-39259,BaLaZnRuO6,-7.177830712,-2.4709046657,0.0421154977,0.0421154977,GGA,P1,ABC6DE_aP10_1_a_a_6a_a_a:Ba-La-O-Ru-Zn,10.0,ABC6DE_aP10_1_a_a_6a_a_a:Ba-La-O-Ru-Zn +mp-677191,BaLaZnRuO6,-7.175995478,-2.4690694318,0.0439507317,0.0439507317,GGA,I-4,ABC6DE_tI20_82_c_d_eg_a_b:Ba-La-O-Ru-Zn,10.0,"Invalid WP multiplicities - ABC6DE_tI20_82_c_d_2e2g_a_b:Ba-La-O-Ru-Zn, expected BaLaZnRuO12 to be BaLaZnRuO6" +mp-2230196,Ba2Tb2MgTi2Cu2O11,-7.469390063,-2.8138932966,0.3308362104,0.3308362104,GGA,P4mm,A2B2CD11E2F2_tP20_99_2a_2b_a_3b4c_2a_2b:Ba-Cu-Mg-O-Tb-Ti,20.0,A2B2CD11E2F2_tP20_99_2a_2b_a_3b4c_2a_2b:Ba-Cu-Mg-O-Tb-Ti +mp-1229072,AlGaCu2(AsO5)2,-6.4771269294,-1.8673013597,0.0139324646,0.0139324646,GGA,P2_1,AB2C2DE10_mP32_4_a_2a_2a_a_10a:Al-As-Cu-Ga-O,32.0,AB2C2DE10_mP32_4_a_2a_2a_a_10a:Al-As-Cu-Ga-O +mp-1185664,Mg16Al12Ga,-2.5677918734,-0.0305681913,0.0077362082,0.0077362082,GGA,Cm,A12BC16_mC58_8_2a5b_a_4a6b:Al-Ga-Mg,29.0,"Invalid WP multiplicities - A12BC16_mC58_8_2a9b_a_4a11b:Al-Ga-Mg, expected Mg26Al20Ga to be Mg16Al12Ga" +mp-1185663,Mg16Al12Ga,-2.5656452086,-0.0284215265,0.009882873,0.009882873,GGA,R3m,A12BC16_hR87_160_2bc_a_a3bc:Al-Ga-Mg,29.0,"Invalid WP multiplicities - A12BC16_hR87_160_5b4c_a_a9b5c:Al-Ga-Mg, expected Mg58Al39Ga to be Mg16Al12Ga" +mp-1185665,Mg16Al12Ga,-2.5593634093,-0.0221397272,0.0161646723,0.0161646723,GGA,I-43m,A12BC16_cI58_217_g_a_cg:Al-Ga-Mg,29.0,"Invalid WP multiplicities - A12BC16_cI58_217_g_a_3c3g:Al-Ga-Mg, expected Mg48Al12Ga to be Mg16Al12Ga" +mp-1234148,MgAl2Ga2Cu4(AsO5)4,-6.3948954279,-1.8762682073,0.0986515008,0.0986515008,GGA,P1,A2B4C4D2EF20_aP33_1_2a_4a_4a_2a_a_20a:Al-As-Cu-Ga-Mg-O,33.0,A2B4C4D2EF20_aP33_1_2a_4a_4a_2a_a_20a:Al-As-Cu-Ga-Mg-O +mp-1234616,MgAl2Ga2Cu4(AsO5)4,-6.4139405679,-1.8953133473,0.0796063608,0.0796063608,GGA,P1,A2B4C4D2EF20_aP33_1_2a_4a_4a_2a_a_20a:Al-As-Cu-Ga-Mg-O,33.0,A2B4C4D2EF20_aP33_1_2a_4a_4a_2a_a_20a:Al-As-Cu-Ga-Mg-O +mp-1028246,Mg14AlGa,-1.8340847638,-0.0104852292,0.0389277927,0.0389277927,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-Ga-Mg, expected Mg18AlGa to be Mg14AlGa" +mp-1028222,Mg14AlGa,-1.8473969288,-0.0237973942,0.0256156277,0.0256156277,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-Ga-Mg, expected Mg26AlGa to be Mg14AlGa" +mp-1185740,Mg17Al11Ga,-2.4990508379,-0.0358028723,0.00319339,0.00319339,GGA,Cm,A11BC17_mC58_8_a5b_a_5a6b:Al-Ga-Mg,29.0,"Invalid WP multiplicities - A11BC17_mC58_8_a9b_a_5a11b:Al-Ga-Mg, expected Mg27Al19Ga to be Mg17Al11Ga" +mp-1023266,Mg6AlGa,-2.0585744888,-0.0116554697,0.0599327023,0.0599327023,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-Ga-Mg, expected Mg12AlGa to be Mg6AlGa" +mp-1023270,Mg6AlGa,-2.05894726,-0.0120282409,0.059559931,0.059559931,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Al-Ga-Mg, expected Mg12AlGa to be Mg6AlGa" +mp-1228891,AlGaAs2,-4.4344454275,-0.4114682619,0.0073616375,0.0073616375,GGA,R3m,AB2C_hR12_160_a_2a_a:Al-As-Ga,4.0,AB2C_hR12_160_a_2a_a:Al-As-Ga +mp-2216836,Yb4MgTi4Cd4(SbO7)4,-6.9934941009,-2.5922601197,0.0792302807,0.0792302807,GGA,P1,A4BC28D4E4F4_aP45_1_4a_a_28a_4a_4a_4a:Cd-Mg-O-Sb-Ti-Yb,,A4BC28D4E4F4_aP45_1_4a_a_28a_4a_4a_4a:Cd-Mg-O-Sb-Ti-Yb +mp-2216860,Yb4MgTi4Cd4(SbO7)4,-6.9970446753,-2.5958106942,0.0756797063,0.0756797063,GGA,P1,A4BC28D4E4F4_aP45_1_4a_a_28a_4a_4a_4a:Cd-Mg-O-Sb-Ti-Yb,,A4BC28D4E4F4_aP45_1_4a_a_28a_4a_4a_4a:Cd-Mg-O-Sb-Ti-Yb +mp-1034025,Mg14TiCdO16,-6.3052429016,-2.8562015935,0.152357476,0.152357476,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cd-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cd-Mg-O-Ti, expected Mg18TiCdO20 to be Mg14TiCdO16" +mp-1034035,Mg14TiCdO16,-6.3085140662,-2.8594727582,0.1490863113,0.1490863113,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cd-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cd-Mg-O-Ti, expected Mg30TiCdO32 to be Mg14TiCdO16" +mp-1026438,Mg14CdSb,-1.7552631513,-0.03927492,0.0675441711,0.0675441711,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Sb, expected Mg18CdSb to be Mg14CdSb" +mp-1026437,Mg14CdSb,-1.77260357,-0.0566153387,0.0502037523,0.0502037523,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Sb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Sb, expected Mg26CdSb to be Mg14CdSb" +mp-1026388,Mg14TiCd,-1.9230424175,0.0283514873,0.0680335208,0.0680335208,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cd-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cd-Mg-Ti, expected Mg18TiCd to be Mg14TiCd" +mp-1026393,Mg14TiCd,-1.9241279206,0.0272659842,0.0669480177,0.0669480177,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cd-Mg-Ti,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cd-Mg-Ti, expected Mg26TiCd to be Mg14TiCd" +mp-1017186,Mg6CdSb,-1.9164349944,-0.0847385819,0.101286017,0.101286017,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Sb, expected Mg12CdSb to be Mg6CdSb" +mp-1017201,Mg6CdSb,-1.9264375406,-0.0947411281,0.0912834707,0.0912834707,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Sb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Sb, expected Mg12CdSb to be Mg6CdSb" +mp-1207619,Yb2MgTiO6,-7.3449228175,-3.1194107281,0.0845594226,0.0845594226,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Mg-O-Ti-Yb,,AB6CD2_mP20_14_a_3e_b_e:Mg-O-Ti-Yb +mp-1215650,YbTiCdSbO7,-6.9906905686,-2.5257985436,0.0675875341,0.0675875341,GGA,Imma,AB7CDE_oI44_74_a_3ej_c_b_d:Cd-O-Sb-Ti-Yb,,"Invalid WP multiplicities - AB7CDE_oI44_74_a_5e2j_c_b_d:Cd-O-Sb-Ti-Yb, expected YbTiCdSbO13 to be YbTiCdSbO7" +mp-677151,YbTiCdSbO7,-6.9896889566,-2.5247969316,0.0685891462,0.0685891462,GGA,P4_122,AB7CDE_tP44_91_a_3c2d_a_b_b:Cd-O-Sb-Ti-Yb,,"Invalid WP multiplicities - AB7CDE_tP44_91_a_9c9d_a_b_b:Cd-O-Sb-Ti-Yb, expected YbTiCdSbO27 to be YbTiCdSbO7" +mp-1021347,Mg6TiCd,-2.242165495,0.0603422646,0.1120927483,0.1120927483,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cd-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cd-Mg-Ti, expected Mg12TiCd to be Mg6TiCd" +mp-1021361,Mg6TiCd,-2.2343572244,0.0681505352,0.119901019,0.119901019,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cd-Mg-Ti,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cd-Mg-Ti, expected Mg12TiCd to be Mg6TiCd" +mp-1234364,Yb4MgTi2O10,-7.5475161371,-3.252422942,0.1576548471,0.1576548471,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb +mp-2215970,Yb4MgTi2O10,-7.5495478847,-3.2544546897,0.1556230995,0.1556230995,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb +mp-2229301,Yb4MgTi2O10,-7.4937394165,-3.1986462214,0.2114315677,0.2114315677,GGA,P1,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb,,AB10C2D4_aP17_1_a_10a_2a_4a:Mg-O-Ti-Yb +mp-2215883,Yb4MgTi2O10,-7.509292141199999,-3.2141989461,0.195878843,0.195878843,GGA,C2,AB10C2D4_mC34_5_a_ab4c_c_2c:Mg-O-Ti-Yb,,"Invalid WP multiplicities - AB10C2D4_mC34_5_a_ab6c_c_4c:Mg-O-Ti-Yb, expected Yb8MgTi2O14 to be Yb4MgTi2O10" +mp-2229160,Yb4MgTi2O10,-7.2113462753,-2.9162530802,0.4938247089,0.4938247089,GGA,C2/m,AB10C2D4_mC34_12_a_5i_i_2i:Mg-O-Ti-Yb,,"Invalid WP multiplicities - AB10C2D4_mC34_12_a_9i_i_4i:Mg-O-Ti-Yb, expected Yb8MgTi2O18 to be Yb4MgTi2O10" +mp-2228922,Yb4MgTi2O10,-7.4337333606,-3.1386401655,0.2714376236,0.2714376236,GGA,Amm2,AB10C2D4_oC34_38_a_ab4c_ab_2c:Mg-O-Ti-Yb,,AB10C2D4_oC34_38_a_ab4c_ab_2c:Mg-O-Ti-Yb +mp-2217694,Yb2MgTi2O6,-7.8902825591,-3.3311359308,0.1124182555,0.1124182555,GGA,R3,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Yb,,AB6C2D2_hR33_146_a_2b_2a_2a:Mg-O-Ti-Yb +mp-2217852,Yb2MgTi2O6,-7.8318141955,-3.2726675672,0.1708866191,0.1708866191,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Yb,,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Yb +mp-2217282,Yb2MgTi2O6,-7.8814558491,-3.3223092208,0.1212449655,0.1212449655,GGA,R-3,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Yb,,AB6C2D2_hR33_148_a_f_c_c:Mg-O-Ti-Yb +mp-865661,YbMgCd2,-1.539520425,-0.2931034625,0.0,-0.0340252184,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Cd-Mg-Yb,,A2BC_cF16_225_c_a_b:Cd-Mg-Yb +mp-2229747,MgTi4Cd2O10,-7.7827020512,-2.8124129483,0.2065638497,0.2065638497,GGA,C2/m,A2BC10D4_mC34_12_i_a_5i_2i:Cd-Mg-O-Ti,17.0,"Invalid WP multiplicities - A2BC10D4_mC34_12_i_a_9i_3i:Cd-Mg-O-Ti, expected MgTi6Cd2O18 to be MgTi4Cd2O10" +mp-2241359,MgTi4Cd2O10,-7.7472389429,-2.77694984,0.2420269579,0.2420269579,GGA,Amm2,A2BC10D4_oC34_38_ab_a_ab4c_2c:Cd-Mg-O-Ti,17.0,"Invalid WP multiplicities - A2BC10D4_oC34_38_ab_a_ab6c_2c:Cd-Mg-O-Ti, expected MgTi4Cd2O14 to be MgTi4Cd2O10" +mp-1040307,Mg30TiCdO32,-6.3151143522,-2.9538515079,0.0774481766,0.0774481766,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cd-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cd-Mg-O-Ti, expected Mg90TiCdO80 to be Mg30TiCdO32" +mp-1040321,Mg30TiCdO32,-6.3165231241,-2.9552602797,0.0760394047,0.0760394047,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cd-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cd-Mg-O-Ti, expected Mg110TiCdO72 to be Mg30TiCdO32" +mp-1031405,Mg6TiCdO8,-6.2902516044,-2.665653369,0.2974244708,0.2974244708,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cd-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cd-Mg-O-Ti, expected Mg6TiCdO12 to be Mg6TiCdO8" +mp-1031420,Mg6TiCdO8,-6.2921265119,-2.6675282765,0.2955495633,0.2955495633,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cd-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cd-Mg-O-Ti, expected Mg6TiCdO12 to be Mg6TiCdO8" +mp-2222877,YbMgTiO3,-6.5159250083,-2.2033505949,0.9980116433,0.9980116433,GGA,P4/mmm,AB3CD_tP6_123_b_ce_d_a:Mg-O-Ti-Yb,,"Invalid WP multiplicities - AB3CD_tP6_123_b_c2e_d_a:Mg-O-Ti-Yb, expected YbMgTiO5 to be YbMgTiO3" +mp-2239899,YbMgTiO3,-6.9179817317,-2.6054073183,0.59595492,0.59595492,GGA,R3m,AB3CD_hR18_160_a_b_a_a:Mg-O-Ti-Yb,,AB3CD_hR18_160_a_b_a_a:Mg-O-Ti-Yb +mp-2218054,MgTi2Cd2O6,-6.9913985609,-2.5443825727,0.20533854,0.20533854,GGA,R3,A2BC6D2_hR33_146_2a_a_2b_2a:Cd-Mg-O-Ti,11.0,A2BC6D2_hR33_146_2a_a_2b_2a:Cd-Mg-O-Ti +mp-2217854,MgTi2Cd2O6,-7.0487703055,-2.6017543172,0.1479667955,0.1479667955,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:Cd-Mg-O-Ti,11.0,A2BC6D2_hR33_148_c_a_f_c:Cd-Mg-O-Ti +mp-2218083,MgTi2Cd2O6,-6.9931754864,-2.5461594981,0.2035616145,0.2035616145,GGA,R-3,A2BC6D2_hR33_148_c_a_f_c:Cd-Mg-O-Ti,11.0,A2BC6D2_hR33_148_c_a_f_c:Cd-Mg-O-Ti +mp-1358652,MgTiAsO5,-7.358425275,-2.4973835215,0.2693162716,0.2693162716,GGA,P2_12_12_1,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-Ti,32.0,ABC5D_oP32_19_a_a_5a_a:As-Mg-O-Ti +mp-1047268,MgFeAsO5,-6.9501857141,-2.0173278114,0.0899247943,0.0899247943,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Fe-Mg-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Fe-Mg-O +mp-1218475,Sr4MgTiFe2(AsO3)2,-6.3560824744,-1.8440726383,0.5965362487,0.5965362487,GGA+U,P4mm,A2B2CD6E4F_tP16_99_ab_c_a_ab2c_2a2b_b:As-Fe-Mg-O-Sr-Ti,16.0,A2B2CD6E4F_tP16_99_ab_c_a_ab2c_2a2b_b:As-Fe-Mg-O-Sr-Ti +mp-1042457,MgTiAs2O7,-7.257591847,-2.3993345875,0.0685792083,0.0685792083,GGA,P2_1/c,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-Ti,44.0,A2BC7D_mP44_14_2e_e_7e_e:As-Mg-O-Ti +mp-863260,Sr(MgAs)2,-3.802382196,-0.9607241233,0.0,-0.1739810347,GGA,P-3m1,A2B2C_hP5_164_d_d_a:As-Mg-Sr,5.0,A2B2C_hP5_164_d_d_a:As-Mg-Sr +mp-1350689,Mg3Ti3(AsO4)4,-7.2440996242,-2.3875300396,0.2788500459,0.2788500459,GGA,P2_1/c,A4B3C16D3_mP52_14_2e_ae_8e_de:As-Mg-O-Ti,52.0,"Invalid WP multiplicities - A4B3C16D3_mP52_14_5e_ae_29e_de:As-Mg-O-Ti, expected Mg3Ti3(As5O29)2 to be Mg3Ti3(AsO4)4" +mp-2217634,Sr2MgTiFeO6,-7.3153899773,-2.6767615727000003,0.3402732445,0.3402732445,GGA+U,Immm,ABC6D2E_oI22_71_a_c_el_f_b:Fe-Mg-O-Sr-Ti,11.0,"Invalid WP multiplicities - ABC6D2E_oI22_71_a_c_2e2l_f_b:Fe-Mg-O-Sr-Ti, expected Sr2MgTiFeO12 to be Sr2MgTiFeO6" +mp-2217649,Sr2MgTiFeO6,-7.39379922,-2.7551708154,0.2618640018,0.2618640018,GGA+U,R3m,ABC6D2E_hR33_160_a_a_2b_2a_a:Fe-Mg-O-Sr-Ti,11.0,"Invalid WP multiplicities - ABC6D2E_hR33_160_a_a_3b_2a_a:Fe-Mg-O-Sr-Ti, expected Sr2MgTiFeO9 to be Sr2MgTiFeO6" +mp-1041600,Mg3Fe3(AsO4)4,-6.9647398265,-2.0418784119,0.0300022266,0.0300022266,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Fe-Mg-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Fe-Mg-O, expected Mg3Fe3(As5O29)2 to be Mg3Fe3(AsO4)4" +mp-2218071,MgFeAs2O7,-6.7968876055,-1.8864004192,0.1046953569,0.1046953569,GGA+U,P1,A2BCD7_aP11_1_2a_a_a_7a:As-Fe-Mg-O,11.0,A2BCD7_aP11_1_2a_a_a_7a:As-Fe-Mg-O +mp-2218028,MgFeAs2O7,-6.8843230864,-1.9738359001,0.017259876,0.017259876,GGA+U,C2,A2BCD7_mC22_5_c_a_a_b3c:As-Fe-Mg-O,11.0,"Invalid WP multiplicities - A2BCD7_mC22_5_c_a_a_b6c:As-Fe-Mg-O, expected MgFeAs2O13 to be MgFeAs2O7" +mp-2226954,MgFeAs2O7,-6.7542555818,-1.8437683956,0.1473273806,0.1473273806,GGA+U,C2,A2BCD7_mC22_5_c_b_a_a3c:As-Fe-Mg-O,11.0,"Invalid WP multiplicities - A2BCD7_mC22_5_c_b_a_a6c:As-Fe-Mg-O, expected MgFeAs2O13 to be MgFeAs2O7" +mp-1042809,MgFeAs2O7,-6.9009039343000005,-1.9904167481,0.0006790281,0.0006790281,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Fe-Mg-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Fe-Mg-O +mp-2228379,MgFe4As2O11,-7.2577744706,-1.7459868303,0.1318332168,0.1318332168,GGA+U,P1,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O,18.0,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O +mp-2229130,MgFe4As2O11,-7.2702112294,-1.7584235892,0.1193964579,0.1193964579,GGA+U,P1,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O,18.0,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O +mp-2228866,MgFe4As2O11,-7.2400568267,-1.7282691865,0.1495508607,0.1495508607,GGA+U,P1,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O,18.0,A2B4CD11_aP18_1_2a_4a_a_11a:As-Fe-Mg-O +mp-724857,Na2LaSiO5,-7.0342097839,-2.8408965308000003,0.0411205336,0.0411205336,GGA,Pnma,AB2C5D_oP36_62_c_d_3cd_c:La-Na-O-Si,36.0,AB2C5D_oP36_62_c_d_3cd_c:La-Na-O-Si +mp-1020648,NaLaSiO4,-7.8184551018,-3.3226543484,0.0,-0.0059790314,GGA,Pna2_1,ABC4D_oP84_33_3a_3a_12a_3a:La-Na-O-Si,84.0,ABC4D_oP84_33_3a_3a_12a_3a:La-Na-O-Si +mp-1210123,NaLaSiO4,-7.8052822354,-3.309481482,0.0131728664,0.007193835,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:La-Na-O-Si,28.0,ABC4D_oP28_62_c_c_2cd_c:La-Na-O-Si +mp-13726,Na3SrLaZnSi6O17,-7.5503353036,-3.1193547409,0.0,-0.0091075023,GGA,Pcca,AB3C17D6EF_oP116_54_d_af_c8f_3f_d_e:La-Na-O-Si-Sr-Zn,116.0,"Invalid WP multiplicities - AB3C17D6EF_oP116_54_d_af_c12f_3f_d_e:La-Na-O-Si-Sr-Zn, expected Na3SrLaZnSi6O25 to be Na3SrLaZnSi6O17" +mp-1224593,La14Zn45Si,-2.5459096005,-0.3589449347,0.0010555742,0.0010555742,GGA,Pm,A14BC45_mP60_6_4a10b_a_27a18b:La-Si-Zn,60.0,A14BC45_mP60_6_4a10b_a_27a18b:La-Si-Zn +mp-1221202,Na4Br(ClO4)3,-4.653302958,-1.0658527571,0.0303232373,0.0303232373,GGA,R3,AB3C4D12_hR60_146_a_b_ab_4b:Br-Cl-Na-O,20.0,"Invalid WP multiplicities - AB3C4D12_hR60_146_a_b_ab_8b:Br-Cl-Na-O, expected Na4Br(ClO8)3 to be Na4Br(ClO4)3" +mp-1221444,Na2BrClO6,-4.621957888,-1.0492831036,0.0216500895,0.0216500895,GGA,P2_1,ABC2D6_mP20_4_a_a_2a_6a:Br-Cl-Na-O,20.0,"Invalid WP multiplicities - ABC2D6_mP20_4_a_a_2a_12a:Br-Cl-Na-O, expected Na2BrClO12 to be Na2BrClO6" +mp-1220843,Na8Al6Si6BrClO24,-7.1568330439,-3.0757969664,0.000708501,0.000708501,GGA,P23,A6BCD8E24F6_cP46_195_g_a_b_2e_2j_h:Al-Br-Cl-Na-O-Si,46.0,A6BCD8E24F6_cP46_195_g_a_b_2e_2j_h:Al-Br-Cl-Na-O-Si +mp-1221240,Na4Al2GaSi3BrO12,-6.9766487107,-2.9332315015,0.0010576611,0.0010576611,GGA,Cc,A2BCD4E12F3_mC92_9_2a_a_a_4a_12a_3a:Al-Br-Ga-Na-O-Si,46.0,"Invalid WP multiplicities - A2BCD4E12F3_mC92_9_4a_a_a_8a_24a_5a:Al-Br-Ga-Na-O-Si, expected Na8Al4GaSi5BrO24 to be Na4Al2GaSi3BrO12" +mp-23659,Na4Ga3Si3BrO12,-6.6481369574,-2.6671092967,0.0,-0.0250960004,GGA,P-43n,AB3C4D12E3_cP46_218_a_c_e_i_d:Br-Ga-Na-O-Si,46.0,AB3C4D12E3_cP46_218_a_c_e_i_d:Br-Ga-Na-O-Si +mp-1214875,AlGaBr4,-3.2006331804,-1.0363356517,0.315087087,0.315087087,GGA,Pnna,AB4C_oP24_52_d_2e_c:Al-Br-Ga,24.0,AB4C_oP24_52_d_2e_c:Al-Br-Ga +mp-21166,SrCaPb,-3.0518645892,-0.5826177881,0.0,-0.0369427275,GGA,Pnma,ABC_oP12_62_c_c_c:Ca-Pb-Sr,12.0,ABC_oP12_62_c_c_c:Ca-Pb-Sr +mp-1218617,Sr4CaHoCu6(PbO4)4,-6.1222984694,-1.9992100243,0.0215464376,0.0215464376,GGA,P-1,AB6CD16E4F4_aP32_2_a_bh2i_e_8i_2i_2i:Ca-Cu-Ho-O-Pb-Sr,32.0,AB6CD16E4F4_aP32_2_a_bh2i_e_8i_2i_2i:Ca-Cu-Ho-O-Pb-Sr +mp-680754,Ca5CuPb3,-3.2434681117,-0.436229525,0.0495043699,0.0495043699,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ca-Cu-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_4d4g_b_g:Ca-Cu-Pb, expected Ca20CuPb3 to be Ca5CuPb3" +mp-18089,Sr2HoCu3(PbO4)2,-6.2799298222,-2.0763160961,0.0224955733,0.0224955733,GGA,P2_1/c,A3BC8D2E2_mP32_14_ae_b_4e_e_e:Cu-Ho-O-Pb-Sr,32.0,"Invalid WP multiplicities - A3BC8D2E2_mP32_14_2a2e_d_8e_e_e:Cu-Ho-O-Pb-Sr, expected Sr2HoCu6(PbO8)2 to be Sr2HoCu3(PbO4)2" +mp-14824,Sr2HoCu3(PbO4)2,-6.2737742538,-2.0701605277,0.0286511417,0.0286511417,GGA,P4/mmm,A3BC8D2E2_tP16_123_ah_b_ghi_h_g:Cu-Ho-O-Pb-Sr,16.0,"Invalid WP multiplicities - A3BC8D2E2_tP16_123_ah_b_2ghi_h_g:Cu-Ho-O-Pb-Sr, expected Sr2HoCu3(PbO5)2 to be Sr2HoCu3(PbO4)2" +mp-1218368,SrCaPbO4,-6.3866722607,-2.5017443681,0.0079816946,0.0079816946,GGA,P2/m,AB4CD_mP14_10_n_2m2n_cd_n:Ca-O-Pb-Sr,14.0,AB4CD_mP14_10_m_2m2n_be_m:Ca-O-Pb-Sr +mp-1093796,SrCaPb2,-1.64902078,1.1310760883,1.6640258587,1.6640258587,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pb-Sr,4.0,AB2C_oI8_71_a_e_b:Ca-Pb-Sr +mp-1218699,SrCaPb6,-3.5552012637,-0.3088292946,0.0,-0.0021515512,GGA,P4/mmm,AB6C_tP8_123_a_cdi_b:Ca-Pb-Sr,8.0,AB6C_tP8_123_a_cdi_b:Ca-Pb-Sr +mp-1218395,Sr3Ca(PbO4)2,-6.3452193793,-2.4828705171,0.0058019523,0.0058019523,GGA,Pm,AB8C2D3_mP14_6_a_4a4b_2b_3a:Ca-O-Pb-Sr,14.0,AB8C2D3_mP14_6_a_4a4b_2b_3a:Ca-O-Pb-Sr +mp-1218448,SrCa3(PbO4)2,-6.4329370907,-2.5254301676,0.0053494884,0.0053494884,GGA,Pm,A3B8C2D_mP14_6_3a_4a4b_2b_a:Ca-O-Pb-Sr,14.0,A3B8C2D_mP14_6_3a_4a4b_2b_a:Ca-O-Pb-Sr +mp-1218799,Sr3Cu3Pb3ClO8,-5.7505972472,-1.8658145844,0.0265745834,0.0265745834,GGA,Pm,AB3C8D3E3_mP18_6_a_2ab_4a4b_2ab_3b:Cl-Cu-O-Pb-Sr,18.0,AB3C8D3E3_mP18_6_a_2ab_4a4b_2ab_3b:Cl-Cu-O-Pb-Sr +mp-1194245,SrPb2Cl6O5,-3.6551876525,-0.445226859,0.988336994,0.988336994,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Pb-Sr,28.0,A6B5C2D_mC56_15_3f_e2f_f_e:Cl-O-Pb-Sr +mp-1218869,Sr2Cu2RuPb2ClO8,-6.1404773038,-1.784280849,0.0379866208,0.0379866208,GGA,Amm2,AB2C8D2EF2_oC32_38_b_c_cdf_c_a_c:Cl-Cu-O-Pb-Ru-Sr,16.0,AB2C8D2EF2_oC32_38_b_c_cdf_c_a_c:Cl-Cu-O-Pb-Ru-Sr +mp-1193929,Sr4Ru6ClO18,-7.2969733652,-2.0109967267,0.001169651,0.001169651,GGA,I23,AB18C6D4_cI58_197_a_df_e_c:Cl-O-Ru-Sr,29.0,AB18C6D4_cI58_197_a_df_e_c:Cl-O-Ru-Sr +mp-10778,RbPrSe2,-5.147113135,-1.9587974393,0.0,-0.1504967389,GGA,R-3m,ABC2_hR12_166_a_b_c:Pr-Rb-Se,4.0,ABC2_hR12_166_a_b_c:Pr-Rb-Se +mp-1211442,RbPrSe2O13,-5.4462348515,-0.9132809674,0.503300579,0.503300579,GGA,P2_1/c,A13BCD2_mP68_14_13e_e_e_2e:O-Pr-Rb-Se,68.0,A13BCD2_mP68_14_13e_e_e_2e:O-Pr-Rb-Se +mp-1110681,Rb2LiPrCl6,-4.406326314,-2.4321146413,0.040100796,0.040100796,GGA,Fm-3m,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Pr-Rb,10.0,A6BCD2_cF40_225_e_a_b_c:Cl-Li-Pr-Rb +mp-645405,Rb6LiPr11Se12(Cl4O9)4,-6.158340809,-2.3779699736,0.0,-0.0134747278,GGA,I4/mcm,A16BC36D11E6F12_tI328_140_fglm_b_l4m_aejl_hk_lm:Cl-Li-O-Pr-Rb-Se,164.0,"Invalid WP multiplicities - A16BC36D11E6F12_tI328_140_4f3g6l9m_b_7l49m_2a3e5j6l_4h5k_6l6m:Cl-Li-O-Pr-Rb-Se, expected Rb28LiPr52Se72(Cl11O42)10 to be Rb6LiPr11Se12(Cl4O9)4" +mp-1209501,RbPr(ClO)4,-4.456280189,-1.1620460577,0.598346413,0.598346413,GGA,P2_12_12,A4B4CD_oP20_18_2c_2c_a_b:Cl-O-Pr-Rb,20.0,A4B4CD_oP20_18_2c_2c_a_b:Cl-O-Pr-Rb +mp-1209454,RbPr(SeO4)2,-6.3673882302,-2.0068238575,0.0,-0.1442072199,GGA,P2_1/c,A8BCD2_mP48_14_8e_e_e_2e:O-Pr-Rb-Se,48.0,A8BCD2_mP48_14_8e_e_e_2e:O-Pr-Rb-Se +mp-1210480,Rb3Pr(Cl3O)2,-3.9038465183,-1.5115877388,0.6533208121,0.6533208121,GGA,P6_3/m,A6B2CD3_hP72_176_2h2i_i_h_bfi:Cl-O-Pr-Rb,72.0,A6B2CD3_hP72_176_2h2i_i_h_bfi:Cl-O-Pr-Rb +mp-977563,LiNbIr2,-7.909483575,-0.4877095083,0.0,-0.0517550677,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ir-Li-Nb,4.0,A2BC_cF16_225_c_a_b:Ir-Li-Nb +mp-1232980,Ba6LiNb2Ir(ClO6)2,-7.2220363608,-2.8253215849,0.077510636,0.077510636,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO10)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235066,Ba6LiNb2Ir(ClO6)2,-7.1995358471,-2.8028210712,0.1000111497,0.1000111497,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO10)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235093,Ba6LiNb2Ir(ClO6)2,-7.2389064162,-2.8421916403000003,0.0606405806,0.0606405806,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO10)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235768,Ba6LiNb2Ir(ClO6)2,-7.223031195,-2.8263164191,0.0765158018,0.0765158018,GGA,Cm,A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a4b:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_8_6a_2a_a_a_2a_4a8b:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO10)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235210,Ba6LiNb2Ir(ClO6)2,-7.2427571963,-2.8460424203,0.0567898006,0.0567898006,GGA,C2/m,A6B2CDE2F12_mC48_12_3i_i_a_b_i_2i2j:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_mC48_12_5i_i_a_b_i_4i6j:Ba-Cl-Ir-Li-Nb-O, expected Ba10LiNb2Ir(ClO16)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235230,Ba6LiNb2Ir(ClO6)2,-7.2249572908,-2.8282425149,0.074589706,0.074589706,GGA,P3m1,A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_4d:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_10d:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO15)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235867,Ba6LiNb2Ir(ClO6)2,-7.2288505829,-2.832135807,0.0706964139,0.0706964139,GGA,P3m1,A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_4d:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_hP24_156_3a3b_ab_c_a_2c_10d:Ba-Cl-Ir-Li-Nb-O, expected Ba6LiNb2Ir(ClO15)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1235620,Ba6LiNb2Ir(ClO6)2,-7.1433723629,-2.746657587,0.1561746339,0.1561746339,GGA,P-3m1,A6B2CDE2F12_hP24_164_3d_d_a_b_c_2i:Ba-Cl-Ir-Li-Nb-O,24.0,"Invalid WP multiplicities - A6B2CDE2F12_hP24_164_5d_d_a_b_c_7i:Ba-Cl-Ir-Li-Nb-O, expected Ba10LiNb2Ir(ClO21)2 to be Ba6LiNb2Ir(ClO6)2" +mp-1224216,HfZrNb2,-9.591756605,0.08511833,0.08511833,0.08511833,GGA,Cmm2,AB2C_oC8_35_a_ab_b:Hf-Nb-Zr,4.0,AB2C_oC8_35_a_ab_b:Hf-Nb-Zr +mp-1224291,HfTaB2,-9.567432745,-0.7739951946,0.0151412129,0.0151412129,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Hf-Ta,4.0,A2BC_oC8_38_ab_a_b:B-Hf-Ta +mp-2646956,Hf6Zr4Ta8Ti3(NbB9)6,-8.6656969319,-0.8412818744,0.0106876168,0.0106876168,GGA,P1,A54B6C6D8E3F4_aP81_1_54a_6a_6a_8a_3a_4a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B6C6D8E3F4_aP81_1_54a_6a_6a_8a_3a_4a:B-Hf-Nb-Ta-Ti-Zr +mp-1215223,ZrNbB2,-8.71536194,-0.7134146371,0.0434285892,0.0434285892,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Nb-Zr,4.0,A2BC_oC8_38_ab_a_b:B-Nb-Zr +mp-1217975,Ta3TiB4,-9.6101944362,-0.8368954375000001,0.0,-0.0182793056,GGA,Pmm2,A4B3C_oP8_25_abcd_abc_d:B-Ta-Ti,8.0,A4B3C_oP8_25_abcd_abc_d:B-Ta-Ti +mp-1224295,HfTa5B4,-10.196114762,-0.5997503357,0.0624248158,0.0624248158,GGA,P4/m,A4BC5_tP10_83_j_a_ck:B-Hf-Ta,10.0,A4BC5_tP10_83_j_a_ck:B-Hf-Ta +mp-38818,HfNbB4,-8.658896855,-0.8628866628,0.0,-0.0070186433,GGA,Immm,A4BC_oI12_71_l_a_c:B-Hf-Nb,6.0,A4BC_oI12_71_l_a_c:B-Hf-Nb +mp-1224328,HfNbB4,-8.656990113300001,-0.8609799211,0.0019067417,-0.0051119017,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Hf-Nb,6.0,A4BC_hP6_191_h_a_b:B-Hf-Nb +mp-1217389,Ti(Nb2B3)4,-8.8408432705,-0.7999559568,0.0079778043,0.0079778043,GGA,Immm,A12B8C_oI42_71_3e3f_e3f_a:B-Nb-Ti,,"Invalid WP multiplicities - A12B8C_oI42_71_5e5f_e5f_a:B-Nb-Ti, expected Ti(Nb3B5)4 to be Ti(Nb2B3)4" +mp-1215178,ZrTiB4,-8.196587585,-1.00312763,0.01838561,0.01838561,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Ti-Zr,6.0,A4BC_hP6_191_h_a_b:B-Ti-Zr +mp-2646916,Hf2Zr9Ta6Ti5Nb5B54,-8.5165542935,-0.8787581155,0.0092509236,0.0092509236,GGA,P1,A54B2C5D6E5F9_aP81_1_54a_2a_5a_6a_5a_9a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B2C5D6E5F9_aP81_1_54a_2a_5a_6a_5a_9a:B-Hf-Nb-Ta-Ti-Zr +mp-1224184,HfZrB4,-8.5408997683,-1.0038236444,0.0,-0.0012014883,GGA,Pmmm,A4BC_oP6_47_kl_a_d:B-Hf-Zr,6.0,"Invalid WP multiplicities - A4BC_oP6_47_2kl_a_d:B-Hf-Zr, expected HfZrB6 to be HfZrB4" +mp-2646934,Hf6Zr8Ta5Ti5(NbB18)3,-8.5405826467,-0.9124078541,0.0123922943,0.0123922943,GGA,P1,A54B6C3D5E5F8_aP81_1_54a_6a_3a_5a_5a_8a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B6C3D5E5F8_aP81_1_54a_6a_3a_5a_5a_8a:B-Hf-Nb-Ta-Ti-Zr +mp-1224263,HfTiB4,-8.453059975,-1.0246852867,0.01209209,0.01209209,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Hf-Ti,6.0,A4BC_hP6_191_h_a_b:B-Hf-Ti +mp-1216692,TiNbB4,-8.34301325,-0.8906192267,0.0,-0.0158601233,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Nb-Ti,6.0,A4BC_hP6_191_h_a_b:B-Nb-Ti +mp-2646953,Hf6Zr8Ta3Ti2(Nb4B27)2,-8.5468195367,-0.880317659,0.0044451793,0.0044451793,GGA,P1,A54B6C8D3E2F8_aP81_1_54a_6a_8a_3a_2a_8a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B6C8D3E2F8_aP81_1_54a_6a_8a_3a_2a_8a:B-Hf-Nb-Ta-Ti-Zr +mp-1224510,Hf(Nb2B3)4,-8.9351635229,-0.796100161,0.0064361476,0.0064361476,GGA,Immm,A12BC8_oI42_71_3e3f_a_e3f:B-Hf-Nb,21.0,"Invalid WP multiplicities - A12BC8_oI42_71_5e5f_a_e5f:B-Hf-Nb, expected Hf(Nb3B5)4 to be Hf(Nb2B3)4" +mp-2646912,Hf7Zr6Ta4Ti3Nb7B54,-8.5788359423,-0.8813000848,0.0072597204,0.0072597204,GGA,P1,A54B7C7D4E3F6_aP81_1_54a_7a_7a_4a_3a_6a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B7C7D4E3F6_aP81_1_54a_7a_7a_4a_3a_6a:B-Hf-Nb-Ta-Ti-Zr +mp-1217898,TaTiB4,-8.6279865133,-0.8828470583,0.0,-0.030404485,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Ta-Ti,6.0,A4BC_hP6_191_h_a_b:B-Ta-Ti +mp-1215211,ZrNbB4,-8.4083327933,-0.8472373344,0.0,-0.0066334517,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Nb-Zr,6.0,A4BC_hP6_191_h_a_b:B-Nb-Zr +mp-2646932,Hf2Zr8Ta8Ti4Nb5B54,-8.5804460056,-0.8528675731,0.0092402623,0.0092402623,GGA,P1,A54B2C5D8E4F8_aP81_1_54a_2a_5a_8a_4a_8a:B-Hf-Nb-Ta-Ti-Zr,81.0,A54B2C5D8E4F8_aP81_1_54a_2a_5a_8a_4a_8a:B-Hf-Nb-Ta-Ti-Zr +mp-1215185,ZrTiNb,-8.74815959,0.1000063056,0.1000063056,0.1000063056,GGA,Fmm2,ABC_oF12_42_a_a_a:Nb-Ti-Zr,3.0,ABC_oF12_42_a_a_a:Nb-Ti-Zr +mp-1224283,HfTaB4,-8.934949335,-0.8461937111000001,0.0,-0.0126422217,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Hf-Ta,6.0,A4BC_hP6_191_h_a_b:B-Hf-Ta +mp-1224347,HfNbB2,-9.11451122,-0.7601918171000001,0.0119155458,0.0119155458,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Hf-Nb,4.0,A2BC_oC8_38_ab_a_b:B-Hf-Nb +mp-1215209,ZrTaB4,-8.690214655,-0.8363737644,0.0,-0.0180864117,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Ta-Zr,6.0,A4BC_hP6_191_h_a_b:B-Ta-Zr +mp-1216709,TiNbB2,-8.64906187,-0.8101667204,0.0,-0.0028376758,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Nb-Ti,4.0,A2BC_oC8_38_ab_a_b:B-Nb-Ti +mp-1218607,Sr4CeNd3Nb2(CuO5)4,-7.6205346291,-2.8402782688,0.041137066,0.041137066,GGA,Amm2,AB4C2D3E20F4_oC68_38_a_2a2b_ab_a2b_2a2b4f_2a2b:Ce-Cu-Nb-Nd-O-Sr,34.0,AB4C2D3E20F4_oC68_38_a_2a2b_ab_a2b_2a2b4f_2a2b:Ce-Cu-Nb-Nd-O-Sr +mp-1173261,Sr2NdNb(CuO4)2,-7.4067443861,-2.691004214,0.0160592871,0.0160592871,GGA,C2/m,A2BCD8E2_mC56_12_j_e_i_g3i2j_2i:Cu-Nb-Nd-O-Sr,28.0,"Invalid WP multiplicities - A2BCD8E2_mC56_12_j_e_i_2h6i7j_3i:Cu-Nb-Nd-O-Sr, expected Sr3NdNb(CuO11)2 to be Sr2NdNb(CuO4)2" +mp-1228495,Ba2NbCu2Pb2ClO8,-6.6166491831,-2.1800861363,0.0262896296,0.0262896296,GGA,Amm2,A2BC2DE8F2_oC32_38_c_b_c_a_cdf_c:Ba-Cl-Cu-Nb-O-Pb,16.0,A2BC2DE8F2_oC32_38_c_b_c_a_cdf_c:Ba-Cl-Cu-Nb-O-Pb +mp-1218266,SrLa3Mn3CrO12,-8.5786913355,-2.928847703,0.1402880428,0.1402880428,GGA+U,R3,AB3C3D12E_hR60_146_a_3a_3a_4b_a:Cr-La-Mn-O-Sr,20.0,"Invalid WP multiplicities - AB3C3D12E_hR60_146_a_3a_3a_12b_a:Cr-La-Mn-O-Sr, expected SrLa3Mn3CrO36 to be SrLa3Mn3CrO12" +mp-1218443,Sr3LaMnCrO8,-7.8376888454,-2.9524702799,0.0298188702,0.0298188702,GGA+U,Amm2,ABCD8E3_oC28_38_a_a_b_2a2bf_a2b:Cr-La-Mn-O-Sr,28.0,ABCD8E3_oC28_38_a_a_b_2a2bf_a2b:Cr-La-Mn-O-Sr +mp-1218314,SrLa3Mn2Cr2O12,-8.622405644,-2.9480104026,0.1275790848,0.1275790848,GGA+U,P1,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr,20.0,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr +mp-1316362,SrLa3Mn2Cr2O12,-8.6339276195,-2.9595323781,0.1160571093,0.1160571093,GGA+U,P1,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr,20.0,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr +mp-1565867,SrLa3Mn2Cr2O12,-8.6400673615,-2.9656721201,0.1099173673,0.1099173673,GGA+U,P1,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr,20.0,A2B3C2D12E_aP20_1_2a_3a_2a_12a_a:Cr-La-Mn-O-Sr +mp-1218286,SrLa3Mn2Cr2O12,-8.6447409285,-2.9703456871,0.1052438003,0.1052438003,GGA+U,P2,A2B3C2D12E_mP20_3_e_abc_e_abcd4e_d:Cr-La-Mn-O-Sr,20.0,A2B3C2D12E_mP20_3_e_abc_e_abcd4e_d:Cr-La-Mn-O-Sr +mp-1218313,SrLa3Mn2Cr2O12,-8.634802081,-2.9604068396,0.1151826478,0.1151826478,GGA+U,C2,A2B3C2D12E_mC40_5_c_ac_c_ab5c_b:Cr-La-Mn-O-Sr,20.0,"Invalid WP multiplicities - A2B3C2D12E_mC40_5_c_ac_c_ab8c_b:Cr-La-Mn-O-Sr, expected SrLa3Mn2Cr2O18 to be SrLa3Mn2Cr2O12" +mp-1222969,LaCeMn2O6,-8.869937104,-2.9826111928000003,0.1624619333,0.1624619333,GGA+U,R32,ABC2D6_hR30_155_a_b_c_de:Ce-La-Mn-O,10.0,ABC2D6_hR30_155_a_b_c_de:Ce-La-Mn-O +mp-1218309,SrLa2CeMn2Cr2O12,-8.6972235225,-2.9729741786,0.1207231486,0.1207231486,GGA+U,P1,AB2C2D2E12F_aP20_1_a_2a_2a_2a_12a_a:Ce-Cr-La-Mn-O-Sr,20.0,AB2C2D2E12F_aP20_1_a_2a_2a_2a_12a_a:Ce-Cr-La-Mn-O-Sr +mp-1223081,LaCe2Mn3O9,-8.761429684,-2.8408677045,0.3056906582,0.3056906582,GGA+U,Cmmm,A2BC3D9_oC30_65_g_a_ch_bfgq:Ce-La-Mn-O,15.0,"Invalid WP multiplicities - A2BC3D9_oC30_65_g_a_ch_b2fg3q:Ce-La-Mn-O, expected LaCe2Mn3O19 to be LaCe2Mn3O9" +mp-1214169,Ca5CoPb3,-3.4121014283,-0.2705171611,0.2125271078,0.2125271078,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ca-Co-Pb,18.0,A5BC3_hP18_193_dg_b_g:Ca-Co-Pb +mp-1233066,CaLa2Co2Sb2(PbO6)2,-6.9683804767,-2.1522942464,0.2208275646,0.2208275646,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1233131,CaLa2Co2Sb2(PbO6)2,-7.0294687452,-2.213382515,0.159739296,0.159739296,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1233609,CaLa2Co2Sb2(PbO6)2,-6.9870488667,-2.1709626364,0.2021591746,0.2021591746,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1234267,CaLa2Co2Sb2(PbO6)2,-6.9994404314,-2.1833542012,0.1897676098,0.1897676098,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1234437,CaLa2Co2Sb2(PbO6)2,-6.9126396657,-2.0965534355,0.2765683756,0.2765683756,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1234682,CaLa2Co2Sb2(PbO6)2,-7.0055304476,-2.1894442174,0.1836775937,0.1836775937,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1234716,CaLa2Co2Sb2(PbO6)2,-7.0202200029,-2.2041337726,0.1689880384,0.1689880384,GGA+U,P1,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb,21.0,AB2C2D12E2F2_aP21_1_a_2a_2a_12a_2a_2a:Ca-Co-La-O-Pb-Sb +mp-1097638,CaLaPb2,-2.2303247375,1.3614005437,1.9161625443,1.9161625443,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-La-Pb,4.0,ABC2_oI8_71_a_b_e:Ca-La-Pb +mp-686588,RbNa10Al11Si13O48,-7.4422912439,-3.0642513202,0.1013729047,0.1013729047,GGA,P1,A11B10C48DE13_aP83_1_11a_10a_48a_a_13a:Al-Na-O-Rb-Si,83.0,A11B10C48DE13_aP83_1_11a_10a_48a_a_13a:Al-Na-O-Rb-Si +mp-721330,Rb14Na3Al17Si31O96,-7.6114431789,-3.1118356185,0.1031784945,0.1031784945,GGA,P1,A17B3C96D14E31_aP161_1_17a_3a_96a_14a_31a:Al-Na-O-Rb-Si,161.0,A17B3C96D14E31_aP161_1_17a_3a_96a_14a_31a:Al-Na-O-Rb-Si +mp-705861,Rb10NaAl11Si13O48,-7.4136433365,-3.0726867982,0.1196198833,0.1196198833,GGA,P1,A11BC48D10E13_aP83_1_11a_a_48a_10a_13a:Al-Na-O-Rb-Si,83.0,A11BC48D10E13_aP83_1_11a_a_48a_10a_13a:Al-Na-O-Rb-Si +mp-686310,BaNa2Al4(SiO4)4,-7.7565626072,-3.2975025944,0.0026590654,-0.0001995435,GGA,Cc,A4BC2D16E4_mC108_9_4a_a_2a_16a_4a:Al-Ba-Na-O-Si,54.0,"Invalid WP multiplicities - A4BC2D16E4_oI108_45_4c_a_c_29c_4c:Al-Ba-Na-O-Si, expected BaNa2Al8(Si4O29)2 to be BaNa2Al4(SiO4)4" +mp-6875,BaNa2Al4(SiO4)4,-7.7592216726,-3.3001616597,0.0,-0.0028586088,GGA,Iba2,A4BC2D16E4_oI108_45_2c_a_c_8c_2c:Al-Ba-Na-O-Si,54.0,"Invalid WP multiplicities - A4BC2D16E4_oI108_45_5c_a_c_9c_3c:Al-Ba-Na-O-Si, expected BaNa2Al10(SiO3)6 to be BaNa2Al4(SiO4)4" +mp-695608,Rb8BaNaAl11Si13O48,-7.4840651898,-3.0906834889,0.1448395785,0.1448395785,GGA,P1,A11BCD48E8F13_aP82_1_11a_a_a_48a_8a_13a:Al-Ba-Na-O-Rb-Si,82.0,A11BCD48E8F13_aP82_1_11a_a_a_48a_8a_13a:Al-Ba-Na-O-Rb-Si +mp-1209704,Rb2Na2Al3(SiO4)3,-7.1360270418,-2.9778877306,0.0685026871,0.0685026871,GGA,Pmn2_1,A3B2C12D2E3_oP44_31_ab_2a_2a5b_b_ab:Al-Na-O-Rb-Si,44.0,A3B2C12D2E3_oP44_31_ab_2a_2a5b_b_ab:Al-Na-O-Rb-Si +mp-1219624,RbNa2Al3Si3O13,-7.2652464673,-2.9268273997,0.0919324506,0.0919324506,GGA,Pc,A3B2C13DE3_mP44_7_3a_2a_13a_a_3a:Al-Na-O-Rb-Si,44.0,"Invalid WP multiplicities - A3B2C13DE3_mP44_7_4a_2a_18a_a_4a:Al-Na-O-Rb-Si, expected RbNa2Al4(Si2O9)2 to be RbNa2Al3Si3O13" +mp-775891,Mn3Fe3(SbO8)2,-7.5288971488,-1.6830166752,0.0900139947,0.0900139947,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Fe-Mn-O-Sb,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Fe-Mn-O-Sb, expected Mn3Fe3(SbO10)2 to be Mn3Fe3(SbO8)2" +mp-1227749,Ca4MnFe3(SiO3)10,-8.0833671752,-2.9740271736,0.0626376949,0.0626376949,GGA+U,P1,A4B3CD30E10_aP48_1_4a_3a_a_30a_10a:Ca-Fe-Mn-O-Si,48.0,A4B3CD30E10_aP48_1_4a_3a_a_30a_10a:Ca-Fe-Mn-O-Si +mp-756766,Mn3Fe2Sb3O16,-7.4158700142,-1.7508653727,0.1025851414,0.1025851414,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Fe-Mn-O-Sb,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Fe-Mn-O-Sb, expected Mn3Fe2Sb3O20 to be Mn3Fe2Sb3O16" +mp-1331145,Ca3Si3(SbO6)2,-7.3988070699,-2.9032560326,0.1214671731,0.1214671731,GGA,Ia-3d,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Sb-Si,80.0,A3B12C2D3_cI160_230_c_h_a_d:Ca-O-Sb-Si +mp-1189105,Mn2FeSbO6,-7.962187751,-1.9018692208,0.037197787,0.0297860806,GGA+U,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Fe-Mn-O-Sb,20.0,AB2C6D_mP20_14_a_e_3e_b:Fe-Mn-O-Sb +mp-1221899,Mn2FeSbO6,-7.999385538,-1.9390670078,0.0,-0.0074117064,GGA+U,R3,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-Sb,10.0,AB2C6D_hR30_146_a_2a_2b_a:Fe-Mn-O-Sb +mp-1250828,Ca3Si4(SbO7)2,-7.4993406946,-2.9241356425,0.1323235046,0.1323235046,GGA,C2/c,A3B14C2D4_mC92_15_ef_7f_ae_2f:Ca-O-Sb-Si,46.0,"Invalid WP multiplicities - A3B14C2D4_mC92_15_2e2f_27f_ae_5f:Ca-O-Sb-Si, expected Ca3Si5SbO27 to be Ca3Si4(SbO7)2" +mp-1221870,Mn4Fe2Sb3,-7.3140078889,0.0165595898,0.1007959075,0.1007959075,GGA,P-4m2,A2B4C3_tP18_115_abe_f3g_3g:Fe-Mn-Sb,18.0,"Invalid WP multiplicities - A2B4C3_tP18_115_abe_f5g_5g:Fe-Mn-Sb, expected Mn6Fe2Sb5 to be Mn4Fe2Sb3" +mp-1227954,CaMn25FeSi4SbO44,-8.5851574662,-2.2297550971,0.0518239126,0.0518239126,GGA+U,Cm,ABC25D44EF4_mC152_8_a_a_9a8b_20a12b_a_4a:Ca-Fe-Mn-O-Sb-Si,76.0,"Invalid WP multiplicities - ABC25D44EF4_mC152_8_a_a_9a16b_20a24b_a_4a:Ca-Fe-Mn-O-Sb-Si, expected CaMn41FeSi4SbO68 to be CaMn25FeSi4SbO44" +mp-1211106,LiPr2RuO6,-7.8327124195,-2.7901855011,0.0,-0.0362954338,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Li-O-Pr-Ru,20.0,AB6C2D_mP20_14_a_3e_e_b:Li-O-Pr-Ru +mp-1232976,Sr2LiPr2Fe2(RuO6)2,-7.5445060486,-2.320752081,0.1493163123,0.1493163123,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr +mp-1235305,Sr2LiPr2Fe2(RuO6)2,-7.5849725076,-2.3612185401,0.1088498532,0.1088498532,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr +mp-1235654,Sr2LiPr2Fe2(RuO6)2,-7.5483675638,-2.3246135963,0.1454547971,0.1454547971,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr +mp-1235879,Sr2LiPr2Fe2(RuO6)2,-7.5921171748,-2.3683632072,0.1017051861,0.1017051861,GGA+U,P1,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr,21.0,A2BC12D2E2F2_aP21_1_2a_a_12a_2a_2a_2a:Fe-Li-O-Pr-Ru-Sr +mp-861661,LiPr2Ru,-5.3005769525,-0.1142927233,0.0236232648,0.0236232648,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Pr-Ru,4.0,AB2C_cF16_225_a_c_b:Li-Pr-Ru +mp-1104343,FeCuAs2PbO10,-6.3415907227,-1.3371241312,0.1283966073,0.1283966073,GGA+U,P-1,A2BCD10E_aP15_2_i_e_a_5i_b:As-Cu-Fe-O-Pb,15.0,A2BCD10E_aP15_2_i_e_a_5i_b:As-Cu-Fe-O-Pb +mp-1419857,FeCuAs2PbO10,-5.1383998587,-0.1339332672,1.3315874713,1.3315874713,GGA+U,P-1,A2BCD10E_aP15_2_i_a_e_5i_b:As-Cu-Fe-O-Pb,15.0,A2BCD10E_aP15_2_i_a_e_5i_b:As-Cu-Fe-O-Pb +mp-2232745,MgFeCuAs2PbO10,-6.5152731456,-1.723568213,0.0659182888,0.0659182888,GGA+U,P1,A2BCDE10F_aP16_1_2a_a_a_a_10a_a:As-Cu-Fe-Mg-O-Pb,16.0,A2BCDE10F_aP16_1_2a_a_a_a_10a_a:As-Cu-Fe-Mg-O-Pb +mp-1207094,MgCuPb,-3.1569526833,-0.0195747533,0.0675557056,0.0675557056,GGA,F-43m,ABC_cF12_216_c_a_b:Cu-Mg-Pb,3.0,ABC_cF12_216_c_a_b:Cu-Mg-Pb +mp-2240266,MgCu2(PbO2)2,-5.3195823533,-1.207277645,0.3433087521,0.3433087521,GGA,C2/m,A2BC4D2_mC18_12_bc_a_j_i:Cu-Mg-O-Pb,9.0,A2BC4D2_aP9_2_cd_a_2i_i:Cu-Mg-O-Pb +mp-2232749,MgCu6PbO8,-5.3961011731,-1.0534963712,0.2195460618,0.2195460618,GGA,F-43m,A6BC8D_cF64_216_f_a_2e_c:Cu-Mg-O-Pb,16.0,"Invalid WP multiplicities - A6BC8D_cF64_216_f_a_6e_c:Cu-Mg-O-Pb, expected MgCu6PbO24 to be MgCu6PbO8" +mp-2233053,MgCu6PbO8,-5.2694093669,-0.926804565,0.3462378681,0.3462378681,GGA,Fm-3m,A6BC8D_cF64_225_d_a_f_b:Cu-Mg-O-Pb,16.0,A6BC8D_cF64_225_d_a_f_b:Cu-Mg-O-Pb +mp-1253743,Ca2TiAlO5,-7.8510555611,-3.3637543208,0.0323144097,0.0323144097,GGA,Ima2,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-Ti,18.0,AB2C5D_oI36_46_b_c_b2c_a:Al-Ca-O-Ti +mp-1217966,TaAlSi,-7.3253141,-0.3157569367,0.0854050237,0.0854050237,GGA,P3_212,ABC_hP9_153_a_a_a:Al-Si-Ta,9.0,ABC_hP9_153_a_a_a:Al-Si-Ta +mp-534838,Ca10Ta3Ti4Al3(SiO5)10,-8.4547803094,-3.4543347705,0.0063777343,0.0063777343,GGA,P-1,A3B10C50D10E3F4_aP80_2_ai_5i_25i_5i_ci_2i:Al-Ca-O-Si-Ta-Ti,80.0,"Invalid WP multiplicities - A3B10C50D10E3F4_aP80_2_a2i_10i_49i_9i_c2i_4i:Al-Ca-O-Si-Ta-Ti, expected Ca20Ta5Ti8Al5(Si9O49)2 to be Ca10Ta3Ti4Al3(SiO5)10" +mp-696633,Ca10TaTi8Al(SiO5)10,-8.1957864834,-3.1906501802,0.2809331192,0.2809331192,GGA,P1,AB10C50D10EF8_aP80_1_a_10a_50a_10a_a_8a:Al-Ca-O-Si-Ta-Ti,80.0,AB10C50D10EF8_aP80_1_a_10a_50a_10a_a_8a:Al-Ca-O-Si-Ta-Ti +mp-1173088,Ca10TaTi8Al(SiO5)10,-8.4743177956,-3.4691814924,0.0024018069,0.0024018069,GGA,P-1,AB10C50D10EF8_aP80_2_a_5i_25i_5i_c_4i:Al-Ca-O-Si-Ta-Ti,80.0,"Invalid WP multiplicities - AB10C50D10EF8_aP80_2_a_8i_48i_8i_c_8i:Al-Ca-O-Si-Ta-Ti, expected Ca16TaTi16Al(SiO6)16 to be Ca10TaTi8Al(SiO5)10" +mp-1227101,CaTaAlO5,-8.7777073425,-3.4849077305,0.0011137444,-0.0076298498,GGA,Cc,ABC5D_mC32_9_a_a_5a_a:Al-Ca-O-Ta,16.0,"Invalid WP multiplicities - ABC5D_mC32_9_a_a_7a_a:Al-Ca-O-Ta, expected CaTaAlO7 to be CaTaAlO5" +mp-561473,CaTaAlO5,-8.7769980056,-3.4841983936,0.0018230812,-0.0069205129,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_ad:Al-Ca-O-Ta,32.0,"Invalid WP multiplicities - ABC5D_mP32_14_e_e_16e_2ad:Al-Ca-O-Ta, expected Ca2Ta3Al2O32 to be CaTaAlO5" +mp-15733,CaTaAlO5,-8.7788210869,-3.4860214748,0.0,-0.0087435941,GGA,C2/c,ABC5D_mC32_15_e_e_e2f_a:Al-Ca-O-Ta,16.0,ABC5D_mC32_15_e_e_e2f_c:Al-Ca-O-Ta +mp-720394,Ca5TaTi3Al(SiO5)5,-8.4689606857,-3.4661697647,0.0,-5.2470300000000005e-05,GGA,P-1,AB5C25D5EF3_aP80_2_i_5i_25i_5i_i_ac2i:Al-Ca-O-Si-Ta-Ti,80.0,"Invalid WP multiplicities - AB5C25D5EF3_aP80_2_i_10i_49i_9i_i_ac4i:Al-Ca-O-Si-Ta-Ti, expected Ca10TaTi5AlSi9O49 to be Ca5TaTi3Al(SiO5)5" +mp-693409,Ca10Ti8NbAl(SiO5)10,-8.4368329627,-3.4536525669,0.0041140936,0.0041140936,GGA,P-1,AB10CD50E10F8_aP80_2_a_5i_c_25i_5i_4i:Al-Ca-Nb-O-Si-Ti,80.0,"Invalid WP multiplicities - AB10CD50E10F8_aP80_2_a_8i_c_48i_8i_7i:Al-Ca-Nb-O-Si-Ti, expected Ca16Ti14NbAl(SiO6)16 to be Ca10Ti8NbAl(SiO5)10" +mp-1220751,Nb10(AlSi)3,-8.4606494681,-0.4277912194,0.0518686857,0.0518686857,GGA,Fmm2,A3B10C3_oF64_42_ab_4cd_ac:Al-Nb-Si,16.0,"Invalid WP multiplicities - A3B10C3_oF64_42_ab_8cd_ac:Al-Nb-Si, expected Nb6AlSi to be Nb10(AlSi)3" +mp-720340,Ca5Ti3NbAl(SiO5)5,-8.3901285225,-3.4312494162,0.0072870709,0.0072870709,GGA,P-1,AB5CD25E5F3_aP80_2_i_5i_i_25i_5i_ac2i:Al-Ca-Nb-O-Si-Ti,80.0,"Invalid WP multiplicities - AB5CD25E5F3_aP80_2_i_10i_i_49i_9i_ac4i:Al-Ca-Nb-O-Si-Ti, expected Ca10Ti5NbAlSi9O49 to be Ca5Ti3NbAl(SiO5)5" +mp-1220347,Nb6AlSi,-8.9683203887,-0.2459798762,0.0814776422,0.0814776422,GGA,Pm-3,AB6C_cP8_200_a_f_b:Al-Nb-Si,8.0,AB6C_cP8_200_a_f_b:Al-Nb-Si +mp-1227751,BaSmCoCuO6,-6.885158774,-2.1326369933,0.1006159348,0.1006159348,GGA+U,P4mm,ABCD6E_tP10_99_b_a_a_2a2c_b:Ba-Co-Cu-O-Sm,10.0,ABCD6E_tP10_99_b_a_a_2a2c_b:Ba-Co-Cu-O-Sm +mp-1214586,Ba2SmCoCu2O7,-6.7105072238,-2.2112696755,0.0297835145,0.0297835145,GGA+U,Pmmm,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Sm,13.0,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Sm +mp-1235047,Ba2LiSmCoCu2O7,-6.3516066057,-2.0373915346,0.2165834163,0.2165834163,GGA+U,Pm,A2BC2DE7F_mP14_6_c_a_c_b_a3c_b:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_mP14_6_c_a_c_b_a3c_b:Ba-Co-Cu-Li-O-Sm +mp-1235043,Ba2LiSmCoCu2O7,-6.4259539764,-2.1117389053,0.1422360456,0.1422360456,GGA+U,Pmm2,A2BC2DE7F_oP14_25_2a_d_2d_a_2b3c2d_a:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_oP14_25_2a_d_2d_a_2b3c2d_a:Ba-Co-Cu-Li-O-Sm +mp-1235322,Ba2LiSmCoCu2O7,-6.40939653,-2.0951814589,0.158793492,0.158793492,GGA+U,Pmm2,A2BC2DE7F_oP14_25_e_b_f_a_be2f_c:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_oP14_25_e_b_f_a_be2f_c:Ba-Co-Cu-Li-O-Sm +mp-1235388,Ba2LiSmCoCu2O7,-6.3502820714,-2.0360670003,0.2179079506,0.2179079506,GGA+U,Pmm2,A2BC2DE7F_oP14_25_2c_b_2b_a_2a2b3d_c:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_oP14_25_2c_b_2b_a_2a2b3d_c:Ba-Co-Cu-Li-O-Sm +mp-1235462,Ba2LiSmCoCu2O7,-6.35436353,-2.0401484589,0.213826492,0.213826492,GGA+U,Pmm2,A2BC2DE7F_oP14_25_2c_b_2b_a_2a2b3d_c:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_oP14_25_2c_b_2b_a_2a2b3d_c:Ba-Co-Cu-Li-O-Sm +mp-1235744,Ba2LiSmCoCu2O7,-6.3495688786,-2.0353538075,0.2186211434,0.2186211434,GGA+U,Pmm2,A2BC2DE7F_oP14_25_2c_b_2b_a_3a2b2d_c:Ba-Co-Cu-Li-O-Sm,14.0,A2BC2DE7F_oP14_25_2c_b_2b_a_3a2b2d_c:Ba-Co-Cu-Li-O-Sm +mp-1046498,Ba2Mg2Mn3Tl2O10,-6.7753111984,-2.1060096583,0.1858122626,0.1858122626,GGA+U,P1,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Mg-Mn-O-Tl,19.0,A2B2C3D10E2_aP19_1_2a_2a_3a_10a_2a:Ba-Mg-Mn-O-Tl +mp-1047595,Ba2Mg3Mn4Tl2O12,-6.8322824726,-2.0769606454,0.2548849464,0.2548849464,GGA+U,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Ba-Mg-Mn-O-Tl,23.0,"Invalid WP multiplicities - A2B3C4D12E2_tI46_139_e_ae_3e_4e6g_e:Ba-Mg-Mn-O-Tl, expected Ba2Mg3Mn6Tl2O32 to be Ba2Mg3Mn4Tl2O12" +mp-1046513,Ba2Mn3Tl2Zn2O10,-6.4811181758,-1.8476625767,0.1783688095,0.1783688095,GGA+U,P1,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Mn-O-Tl-Zn,19.0,A2B3C10D2E2_aP19_1_2a_3a_10a_2a_2a:Ba-Mn-O-Tl-Zn +mp-2234160,Ba2Mn3Tl2Zn2O10,-6.4861850311,-1.852729432,0.1733019542,0.1733019542,GGA+U,Cm,A2B3C10D2E2_mC38_8_2a_3a_10a_2a_2a:Ba-Mn-O-Tl-Zn,19.0,A2B3C10D2E2_mC38_8_2a_3a_10a_2a_2a:Ba-Mn-O-Tl-Zn +mp-2230022,Ba2MgMn3Tl2Zn2O10,-6.3672469235,-1.8854501019,0.2223318403,0.2223318403,GGA+U,P1,A2BC3D10E2F2_aP20_1_2a_a_3a_10a_2a_2a:Ba-Mg-Mn-O-Tl-Zn,20.0,A2BC3D10E2F2_aP20_1_2a_a_3a_10a_2a_2a:Ba-Mg-Mn-O-Tl-Zn +mp-2228371,Ba2MgMn3Tl2O10,-6.7257025361,-1.8858998021,0.3018887748,0.3018887748,GGA+U,P1,A2BC3D10E2_aP18_1_2a_a_3a_10a_2a:Ba-Mg-Mn-O-Tl,18.0,A2BC3D10E2_aP18_1_2a_a_3a_10a_2a:Ba-Mg-Mn-O-Tl +mp-2228426,Ba2MgMn3Tl2O10,-6.9002690761,-2.0604663421,0.1273222348,0.1273222348,GGA+U,P1,A2BC3D10E2_aP18_1_2a_a_3a_10a_2a:Ba-Mg-Mn-O-Tl,18.0,A2BC3D10E2_aP18_1_2a_a_3a_10a_2a:Ba-Mg-Mn-O-Tl +mp-2228435,Ba2MgMn3Tl2O10,-6.9309445572,-2.0911418232,0.0966467537,0.0966467537,GGA+U,Pm,A2BC3D10E2_mP18_6_ab_a_a2b_5a5b_ab:Ba-Mg-Mn-O-Tl,18.0,A2BC3D10E2_mP18_6_ab_a_a2b_5a5b_ab:Ba-Mg-Mn-O-Tl +mp-1048574,Ba2Mn4Tl2Zn3O12,-6.429058083,-1.7181540523,0.2843423985,0.2843423985,GGA+U,I4/mmm,A2B4C12D2E3_tI46_139_e_2e_2e2g_e_ae:Ba-Mn-O-Tl-Zn,23.0,"Invalid WP multiplicities - A2B4C12D2E3_tI46_139_e_3e_4e6g_e_ae:Ba-Mn-O-Tl-Zn, expected Ba2Mn6Tl2Zn3O32 to be Ba2Mn4Tl2Zn3O12" +mp-2218046,MgMn2Tl2O6,-6.5239685818,-1.5849022914000002,0.2718714403,0.2718714403,GGA+U,R3,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Tl,11.0,AB2C6D2_hR33_146_a_2a_2b_2a:Mg-Mn-O-Tl +mp-2217599,MgMn2Tl2O6,-6.7300013555,-1.7909350650000002,0.0658386667,0.0658386667,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Tl,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Tl +mp-2217954,MgMn2Tl2O6,-6.3311702864,-1.3921039959,0.4646697358,0.4646697358,GGA+U,R-3,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Tl,11.0,AB2C6D2_hR33_148_a_c_f_c:Mg-Mn-O-Tl +mp-693284,Ca3Hf2Fe2SiO12,-8.5912111572,-3.208371023,0.0,-0.0044929867,GGA+U,I4_1/acd,A3B2C2D12E_tI160_142_be_e_c_3g_a:Ca-Fe-Hf-O-Si,80.0,"Invalid WP multiplicities - A3B2C2D12E_tI160_142_3b4e_e_c_40g_a:Ca-Fe-Hf-O-Si, expected Ca11Hf2Fe2SiO160 to be Ca3Hf2Fe2SiO12" +mp-1102314,HfFeSi,-8.6978335558,-0.7469907992,0.0,-0.0611332855,GGA,Pnma,ABC_oP12_62_c_c_c:Fe-Hf-Si,12.0,ABC_oP12_62_c_c_c:Fe-Hf-Si +mp-1223824,Hf2Fe3Si,-9.0235303492,-0.5652370625,0.0,-0.0186788662,GGA,P6_3/mmc,A3B2C_hP12_194_h_f_a:Fe-Hf-Si,12.0,A3B2C_hP12_194_h_f_a:Fe-Hf-Si +mp-1224329,Hf4AlSi,-8.6674821933,-0.5008738633,0.0123184617,0.0123184617,GGA,I422,AB4C_tI12_97_a_j_b:Al-Hf-Si,6.0,AB4C_tI12_97_a_j_b:Al-Hf-Si +mp-983358,HfAlFe2,-8.03259068,-0.37188886,0.0103381565,0.0103381565,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Al-Fe-Hf,4.0,AB2C_cF16_225_a_c_b:Al-Fe-Hf +mp-1104561,Hf(Al2Fe)4,-6.0856778585,-0.4086101269,0.0,-0.0399305764,GGA,I4/mmm,A8B4C_tI26_139_ij_f_a:Al-Fe-Hf,13.0,A8B4C_tI26_139_ij_f_a:Al-Fe-Hf +mp-1224425,Hf10(AlSi)3,-8.44474327,-0.5019575275,0.0753838381,0.0753838381,GGA,P-62m,A3B10C3_hP16_189_f_fgh_g:Al-Hf-Si,16.0,A3B10C3_hP16_189_f_fgh_g:Al-Hf-Si +mp-1105701,Hf3Fe2Si3,-8.6280294319,-0.7420839819,0.01379163,0.01379163,GGA,Cmcm,A2B3C3_oC32_63_f_cf_cf:Fe-Hf-Si,16.0,A2B3C3_oC32_63_f_cf_cf:Fe-Hf-Si +mp-1227961,Ca3Hf2AlFeSiO12,-8.5803209743,-3.433703109,0.0,-0.0094348825,GGA+U,I-42d,AB3CD2E12F_tI160_122_d_c2d_d_e_6e_ab:Al-Ca-Fe-Hf-O-Si,80.0,"Invalid WP multiplicities - AB3CD2E12F_tI160_122_d_2c4d_d_e_12e_ab:Al-Ca-Fe-Hf-O-Si, expected Ca6Hf2AlFeSiO24 to be Ca3Hf2AlFeSiO12" +mp-640158,Hf6Fe16Si7,-8.5829779707,-0.5401952207,0.0,-0.0270167545,GGA,Fm-3m,A16B6C7_cF116_225_2f_e_ad:Fe-Hf-Si,29.0,"Invalid WP multiplicities - A16B6C7_cF116_225_9f_e_a2d:Fe-Hf-Si, expected Hf6Fe72Si13 to be Hf6Fe16Si7" +mp-567576,HfFeSi2,-7.5565019608,-0.2370403858,0.4130354142,0.3922143223,GGA,Immm,ABC2_oI48_71_ik_em_efghm:Fe-Hf-Si,24.0,"Invalid WP multiplicities - ABC2_oI48_71_2i3k_2e3m_2e2f2g2h2m:Fe-Hf-Si, expected Hf2Fe2Si3 to be HfFeSi2" +mp-28378,HfFeSi2,-7.969537375,-0.6500758,0.0,-0.0208210919,GGA,Immm,ABC2_oI48_71_ik_em_efghm:Fe-Hf-Si,24.0,"Invalid WP multiplicities - ABC2_oI48_71_2i2k_em_e2f2ghm:Fe-Hf-Si, expected Hf3(Fe3Si4)2 to be HfFeSi2" +mp-1224395,Hf(AlFe)6,-6.7912436938,-0.3873382115,0.0,-0.0302503779,GGA,Immm,A6B6C_oI26_71_efg_hk_a:Al-Fe-Hf,13.0,A6B6C_oI26_71_efg_hk_a:Al-Fe-Hf +mp-15003,Ca3HfSi2O9,-8.3397250468,-3.5834035048,0.0,-0.0069052819,GGA,P2_1/c,A3BC9D2_mP60_14_3e_e_9e_2e:Ca-Hf-O-Si,60.0,"Invalid WP multiplicities - A3BC9D2_mP60_14_3e_e_12e_2e:Ca-Hf-O-Si, expected Ca3Hf(SiO6)2 to be Ca3HfSi2O9" +mp-1224393,Hf6Al2Fe,-8.7018294433,-0.2902397711,0.0,-0.0251950793,GGA,P-62m,A2BC6_hP9_189_c_b_fg:Al-Fe-Hf,9.0,A2BC6_hP9_189_c_b_fg:Al-Fe-Hf +mp-1223834,Hf2AlSi,-7.8732529875,-0.6019350075000001,0.0450444994,0.0450444994,GGA,Amm2,AB2C_oC8_38_a_ab_b:Al-Hf-Si,4.0,AB2C_oC8_38_a_ab_b:Al-Hf-Si +mp-1224488,HfAlFe,-7.7913990917,-0.4004704017,0.0213462658,-0.0064777425,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Al-Fe-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Al-Fe-Hf, expected Hf3(AlFe)2 to be HfAlFe" +mp-1224642,HfAlFe,-7.8127453575,-0.4218166675,0.0,-0.0278240083,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Al-Fe-Hf,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Al-Fe-Hf, expected Hf3(AlFe)2 to be HfAlFe" +mp-504741,Hf(FeSi)2,-8.1798980145,-0.6303245125,0.0082617135,0.0082617135,GGA,Pbcm,A2BC2_oP20_57_cd_d_cd:Fe-Hf-Si,20.0,A2BC2_oP20_57_cd_d_cd:Fe-Hf-Si +mp-532666,Sr2La14Mg4(Fe4O15)3,-8.1057557838,-2.8703602889,0.0825304333,0.0825304333,GGA+U,P1,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Fe-La-Mg-O-Sr,77.0,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Fe-La-Mg-O-Sr +mp-1173278,Sr2La14Mg4(Fe4O15)3,-8.1115749078,-2.8761794129,0.0767113093,0.0767113093,GGA+U,P1,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Fe-La-Mg-O-Sr,77.0,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Fe-La-Mg-O-Sr +mp-1021163,LaMg6Ga,-2.2383638012,-0.0426408728,0.1538586589,0.1538586589,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ga-La-Mg,8.0,ABC6_oC16_38_a_b_abde:Ga-La-Mg +mp-1099325,LaMg6Ga,-2.2461147263,-0.0503917978,0.1461077339,0.1461077339,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ga-La-Mg,8.0,ABC6_oC16_38_a_a_2bde:Ga-La-Mg +mp-677081,SrLa11Mg3Ga9O34,-7.5186265081,-3.1009249194,0.1107652998,0.1107652998,GGA,P1,A9B11C3D34E_aP58_1_9a_11a_3a_34a_a:Ga-La-Mg-O-Sr,58.0,A9B11C3D34E_aP58_1_9a_11a_3a_34a_a:Ga-La-Mg-O-Sr +mp-677725,SrLa11Mg3Ga9O34,-7.5192521031,-3.1015505144,0.1101397048,0.1101397048,GGA,Cm,A9B11C3D34E_mC116_8_9a_11a_3a_10a12b_a:Ga-La-Mg-O-Sr,58.0,"Invalid WP multiplicities - A9B11C3D34E_mC116_8_9a_11a_3a_10a24b_a:Ga-La-Mg-O-Sr, expected SrLa11Mg3Ga9O58 to be SrLa11Mg3Ga9O34" +mp-695030,La10Mg(Ga3O10)3,-7.6237980512,-3.0915205184,0.0498041038,0.0498041038,GGA,P-1,A9B10CD30_aP50_2_a4i_5i_d_15i:Ga-La-Mg-O,50.0,"Invalid WP multiplicities - A9B10CD30_aP50_2_a8i_8i_d_28i:Ga-La-Mg-O, expected La16MgGa17O56 to be La10Mg(Ga3O10)3" +mp-686382,Sr2La14Mg2Ga14O45,-7.4482585991,-3.0238692121,0.1190487512,0.1190487512,GGA,P1,A14B14C2D45E2_aP77_1_14a_14a_2a_45a_2a:Ga-La-Mg-O-Sr,77.0,A14B14C2D45E2_aP77_1_14a_14a_2a_45a_2a:Ga-La-Mg-O-Sr +mp-1233073,La4MgGa2(FeO6)2,-7.7671828505,-2.8290491614,0.1782423473,0.1782423473,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O +mp-1233141,La4MgGa2(FeO6)2,-7.774796879,-2.83666319,0.1706283187,0.1706283187,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O +mp-1233257,La4MgGa2(FeO6)2,-7.8183185457,-2.8801848567,0.127106652,0.127106652,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O +mp-1233521,La4MgGa2(FeO6)2,-7.80009572,-2.861962031,0.1453294777,0.1453294777,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O +mp-1233708,La4MgGa2(FeO6)2,-7.7791052695,-2.8409715805,0.1663199282,0.1663199282,GGA+U,P1,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O,21.0,A2B2C4DE12_aP21_1_2a_2a_4a_a_12a:Fe-Ga-La-Mg-O +mp-1027887,Mg14GaFe,-2.0236848856,0.0951924852,0.1458118775,0.1458118775,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Fe-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Fe-Ga-Mg, expected Mg18GaFe to be Mg14GaFe" +mp-1027847,Mg14GaFe,-2.0340884362,0.0847889345,0.1354083269,0.1354083269,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Fe-Ga-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Fe-Ga-Mg, expected Mg26GaFe to be Mg14GaFe" +mp-1173283,Sr2La14Mg4Ga12O43,-7.3912858861,-3.0188995737,0.1599729553,0.1599729553,GGA,P1,A12B14C4D43E2_aP75_1_12a_14a_4a_43a_2a:Ga-La-Mg-O-Sr,75.0,A12B14C4D43E2_aP75_1_12a_14a_4a_43a_2a:Ga-La-Mg-O-Sr +mp-1022199,Mg6GaFe,-2.5389260269,0.0985486647,0.1731068474,0.1731068474,GGA,Amm2,ABC6_oC16_38_a_b_abde:Fe-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Fe-Ga-Mg, expected Mg12GaFe to be Mg6GaFe" +mp-1022216,Mg6GaFe,-2.5334506731,0.1040240184,0.1785822011,0.1785822011,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Fe-Ga-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Fe-Ga-Mg, expected Mg12GaFe to be Mg6GaFe" +mp-695096,La16Mg2Ga14O47,-7.637410412,-3.1176080383,0.0660325446,0.0660325446,GGA,P1,A14B16C2D47_aP79_1_14a_16a_2a_47a:Ga-La-Mg-O,79.0,A14B16C2D47_aP79_1_14a_16a_2a_47a:Ga-La-Mg-O +mp-723024,SrLa9MgGa9O29,-6.7686805592,-2.311115778,0.8385371812,0.8385371812,GGA,P1,A9B9CD29E_aP49_1_9a_9a_a_29a_a:Ga-La-Mg-O-Sr,49.0,A9B9CD29E_aP49_1_9a_9a_a_29a_a:Ga-La-Mg-O-Sr +mp-1026762,LaMg14Ga,-1.9258771244,-0.0278756352,0.0817351401,0.0817351401,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ga-La-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ga-La-Mg, expected LaMg18Ga to be LaMg14Ga" +mp-1026788,LaMg14Ga,-1.8980324612,-3.0972e-05,0.1095798033,0.1095798033,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ga-La-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ga-La-Mg, expected LaMg26Ga to be LaMg14Ga" +mp-21509,LaMgGa,-3.6742564456,-0.4861287197,0.0,-0.0612146022,GGA,P-62m,ABC_hP9_189_ad_f_g:Ga-La-Mg,9.0,ABC_hP9_189_ad_f_g:Ga-La-Mg +mp-686724,Sr2La14Mg4(Ga4O15)3,-7.4853685617,-3.0980653039,0.1025632731,0.1025632731,GGA,P1,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr,77.0,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr +mp-686367,Sr2La14Mg4(Ga4O15)3,-7.4687317966,-3.0814285388,0.1192000381,0.1192000381,GGA,P1,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr,77.0,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr +mp-725561,Sr2La14Mg4(Ga4O15)3,-7.1624294297,-2.7751261719,0.425502405,0.425502405,GGA,P1,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr,77.0,A12B14C4D45E2_aP77_1_12a_14a_4a_45a_2a:Ga-La-Mg-O-Sr +mp-684845,SrLa9Mg2Ga6(FeO14)2,-7.6603079175,-3.0159325015,0.1144950999,0.1144950999,GGA+U,P1,A2B6C9D2E28F_aP48_1_2a_6a_9a_2a_28a_a:Fe-Ga-La-Mg-O-Sr,48.0,A2B6C9D2E28F_aP48_1_2a_6a_9a_2a_28a_a:Fe-Ga-La-Mg-O-Sr +mp-1215382,Zr4Al11Si,-5.5150459044,-0.4639549869,0.0202257922,0.0202257922,GGA,Pmmm,A11BC4_oP16_47_abgijkl_h_jk:Al-Si-Zr,16.0,"Invalid WP multiplicities - A11BC4_oP16_47_abg2i2jkl_h_2jk:Al-Si-Zr, expected Zr6Al15Si to be Zr4Al11Si" +mp-1215490,Zr2AlSi,-7.279449205,-0.712875425,0.0230539456,0.0230539456,GGA,Amm2,ABC2_oC8_38_a_b_ab:Al-Si-Zr,4.0,ABC2_oC8_38_a_b_ab:Al-Si-Zr +mp-695062,Ca3Zr2Fe2SiO12,-8.3754302052,-3.133538911,0.0004047283,0.0004047283,GGA+U,I4_1/acd,A3B2C12DE2_tI160_142_be_e_3g_a_c:Ca-Fe-O-Si-Zr,80.0,"Invalid WP multiplicities - A3B2C12DE2_tI160_142_4b3e_e_37g_a_c:Ca-Fe-O-Si-Zr, expected Ca10Zr2Fe2SiO148 to be Ca3Zr2Fe2SiO12" +mp-7079,CaZrSi2O7,-8.5995728636,-3.5058676319,0.003371858,0.003371858,GGA,C2,AB7C2D_mC22_5_a_b3c_c_a:Ca-O-Si-Zr,11.0,AB7C2D_mC22_5_a_b3c_c_a:Ca-O-Si-Zr +mp-15004,Ca3ZrSi2O9,-8.2018903292,-3.5395346804,0.0,-0.0042751148,GGA,P2_1/c,A3B9C2D_mP60_14_3e_9e_2e_e:Ca-O-Si-Zr,60.0,"Invalid WP multiplicities - A3B9C2D_mP60_14_3e_12e_2e_e:Ca-O-Si-Zr, expected Ca3Zr(SiO6)2 to be Ca3ZrSi2O9" +mp-1214457,CaZr(SiO3)6,-7.4813335571,-2.3988102689,0.5941904795,0.5941904795,GGA,C2,AB18C6D_mC104_5_c_3ab16c_6c_c:Ca-O-Si-Zr,52.0,AB18C6D_mC104_5_c_3ab16c_6c_c:Ca-O-Si-Zr +mp-560339,Ca2Zr(SiO3)4,-8.3773533666,-3.4499619432,0.0052863322,0.0052863322,GGA,P2_1/m,A2B12C4D_mP38_11_ae_2e5f_2f_c:Ca-O-Si-Zr,38.0,"Invalid WP multiplicities - A2B12C4D_mP38_11_2ae_3e20f_7f_d:Ca-O-Si-Zr, expected Ca3ZrSi14O43 to be Ca2Zr(SiO3)4" +mp-1215331,ZrAl2Si,-5.8019789,-0.43593632,0.0390167563,0.0390167563,GGA,I-4m2,A2BC_tI8_119_ac_b_d:Al-Si-Zr,4.0,A2BC_tI8_119_ac_b_d:Al-Si-Zr +mp-1204163,CaZrSi6O17,-8.0230318772,-2.9350752059,0.1776455724,0.1776455724,GGA,C2,AB17C6D_mC100_5_c_2a16c_6c_c:Ca-O-Si-Zr,50.0,AB17C6D_mC100_5_c_2a16c_6c_c:Ca-O-Si-Zr +mp-1227925,Ca3Zr2AlFeSiO12,-8.3630444306,-3.3573754054,0.0,-0.0035976304,GGA+U,I-42d,AB3CD12EF2_tI160_122_d_c2d_d_6e_ab_e:Al-Ca-Fe-O-Si-Zr,80.0,"Invalid WP multiplicities - AB3CD12EF2_tI160_122_d_2c4d_d_12e_ab_e:Al-Ca-Fe-O-Si-Zr, expected Ca6Zr2AlFeSiO24 to be Ca3Zr2AlFeSiO12" +mp-1228542,Ba2Sr3CaMg2(SiO4)4,-7.4794847296,-3.3737389539,0.0112045121,0.0112045121,GGA,Pm,A2BC2D16E4F3_mP28_6_ab_a_ab_4a4b4c_2a2b_a2b:Ba-Ca-Mg-O-Si-Sr,28.0,"Invalid WP multiplicities - A2BC2D16E4F3_mP28_6_ab_a_ab_4a4b8c_2a2b_a2b:Ba-Ca-Mg-O-Si-Sr, expected Ba2Sr3CaMg2(SiO6)4 to be Ba2Sr3CaMg2(SiO4)4" +mp-1228510,Ba2Sr3CaMg2(SiO4)4,-7.4797147471,-3.3739689714,0.0109744946,0.0109744946,GGA,P3m1,A2BC2D16E4F3_hP28_156_2c_a_2c_2a2b4d_2a2b_a2b:Ba-Ca-Mg-O-Si-Sr,28.0,"Invalid WP multiplicities - A2BC2D16E4F3_hP28_156_2c_a_2c_2a2b12d_2a2b_a2b:Ba-Ca-Mg-O-Si-Sr, expected Ba2Sr3CaMg2(SiO10)4 to be Ba2Sr3CaMg2(SiO4)4" +mp-1218410,SrCaMgSi2O7,-7.6206636579,-3.3895944561,0.0119431805,0.0119431805,GGA,P2_1,ABC7D2E_mP24_4_a_a_7a_2a_a:Ca-Mg-O-Si-Sr,24.0,ABC7D2E_mP24_4_a_a_7a_2a_a:Ca-Mg-O-Si-Sr +mp-1218570,SrCa3Mg4(SiO3)8,-7.74702435,-3.3412621849,0.0046728903,0.0046728903,GGA,P2,A3B4C24D8E_mP40_3_abc_abcd_12e_4e_d:Ca-Mg-O-Si-Sr,40.0,"Invalid WP multiplicities - A3B4C24D8E_mP40_3_abc_abcd_24e_8e_d:Ca-Mg-O-Si-Sr, expected SrCa3Mg4(SiO3)16 to be SrCa3Mg4(SiO3)8" +mp-1103554,BaCa2Mg(SiO4)2,-7.5244106879,-3.3847963664,0.0149879734,0.0149879734,GGA,P-3,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Ca-Mg-O-Si,14.0,AB2CD8E2_hP14_147_a_d_b_dg_d:Ba-Ca-Mg-O-Si +mp-1214419,BaCa2Mg(SiO4)2,-7.5042530407,-3.3646387193,0.0351456205,0.0351456205,GGA,P-3m1,AB2CD8E2_hP14_164_a_d_b_di_d:Ba-Ca-Mg-O-Si,14.0,AB2CD8E2_hP14_164_a_d_b_di_d:Ba-Ca-Mg-O-Si +mp-1228533,Ba2SrCa3Mg2(SiO4)4,-7.5062203239,-3.3778955177,0.0169418642,0.0169418642,GGA,P1,A2B3C2D16E4F_aP28_1_2a_3a_2a_16a_4a_a:Ba-Ca-Mg-O-Si-Sr,28.0,A2B3C2D16E4F_aP28_1_2a_3a_2a_16a_4a_a:Ba-Ca-Mg-O-Si-Sr +mp-1227705,BaSrCaMg(SiO4)2,-7.48535741,-3.368322119,0.0215683049,0.0215683049,GGA,P3m1,ABCD8E2F_hP14_156_c_a_c_ab2d_ab_b:Ba-Ca-Mg-O-Si-Sr,14.0,ABCD8E2F_hP14_156_c_a_c_ab2d_ab_b:Ba-Ca-Mg-O-Si-Sr +mp-1019558,BaSr2Mg(SiO4)2,-7.4744527686,-3.3799965081,0.0,-0.0070213911,GGA,P-3m1,ABC8D2E2_hP14_164_a_b_di_d_d:Ba-Mg-O-Si-Sr,14.0,ABC8D2E2_hP14_164_a_b_di_d_d:Ba-Mg-O-Si-Sr +mp-1228617,Ba3Sr2Ca4Mg3(SiO4)6,-7.5037549693,-3.3791933348,0.0139950611,0.0139950611,GGA,P3,A3B4C3D24E6F2_hP42_143_3c_a3b_3c_3a3b6d_3a3b_2a:Ba-Ca-Mg-O-Si-Sr,42.0,"Invalid WP multiplicities - A3B4C3D24E6F2_hP42_143_3c_a3b_3c_3a3b18d_3a3b_2a:Ba-Ca-Mg-O-Si-Sr, expected Ba3Sr2Ca4Mg3(SiO10)6 to be Ba3Sr2Ca4Mg3(SiO4)6" +mp-1227482,BaSrMgSi2O7,-7.6067748058,-3.382924349,0.00182677,0.00182677,GGA,P2_1,ABC7D2E_mP24_4_a_a_7a_2a_a:Ba-Mg-O-Si-Sr,24.0,ABC7D2E_mP24_4_a_a_7a_2a_a:Ba-Mg-O-Si-Sr +mp-1228059,Ba3SrMg2(Si2O7)2,-7.6071366496,-3.3737244641,0.0021037121,0.0021037121,GGA,Cm,A3B2C14D4E_mC48_8_ab_b_4a5b_2ab_a:Ba-Mg-O-Si-Sr,24.0,"Invalid WP multiplicities - A3B2C14D4E_mC48_8_a2b_b_4a10b_2a2b_a:Ba-Mg-O-Si-Sr, expected Ba5SrMg2(SiO4)6 to be Ba3SrMg2(Si2O7)2" +mp-1099678,Sr3CaCo3CuO10,-6.5004029168,-1.9467847275,0.1834521613,0.1834521613,GGA+U,P1,AB3CD10E3_aP144_1_8a_24a_8a_80a_24a:Ca-Co-Cu-O-Sr,144.0,AB3CD10E3_aP144_1_8a_24a_8a_80a_24a:Ca-Co-Cu-O-Sr +mp-1173253,Sr2YCoCu2O7,-6.8859537777,-2.2875683828,0.0127514133,0.0127514133,GGA+U,C2,AB2C7D2E_mC52_5_c_2c_7c_2c_ab:Co-Cu-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C7D2E_oI52_46_b_c_2b9c_c_a:Co-Cu-O-Sr-Y, expected Sr2YCo(CuO10)2 to be Sr2YCoCu2O7" +mp-1173256,Sr2YCoCu2O7,-6.8854386762,-2.2870532812,0.0132665149,0.0132665149,GGA+U,C2/m,AB2C7D2E_mC52_12_i_j_2g2hij_j_e:Co-Cu-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C7D2E_mC52_12_i_j_3g4h2i2j_j_e:Co-Cu-O-Sr-Y, expected Sr2YCoCu2O13 to be Sr2YCoCu2O7" +mp-542434,Sr2YCoCu2O7,-6.8874642719,-2.289078877,0.0112409191,0.0112409191,GGA+U,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Co-Cu-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Co-Cu-O-Sr-Y +mp-1075901,Sr6Ca2Co5(CuO8)3,-6.3930495748,-1.8753521114,0.0809900802,0.0809900802,GGA+U,P2,A2B5C3D24E6_mP40_3_e_a2c2d_a2b_2a2b2c2d8e_3e:Ca-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A2B5C3D24E6_mP40_3_e_a2b2c_a2d_2a2b2c2d12e_6e:Ca-Co-Cu-O-Sr, expected Sr12Ca2Co5Cu3O32 to be Sr6Ca2Co5(CuO8)3" +mp-1218919,Sr10CaY4(CoO3)10,-7.1901962571,-2.3856461088,0.148804092,0.148804092,GGA+U,I4/m,AB10C30D10E4_tI110_87_a_ei_eg3i_ei_h:Ca-Co-O-Sr-Y,55.0,"Invalid WP multiplicities - AB10C30D10E4_tI110_87_a_2ei_2e4g12i_2ei_h:Ca-Co-O-Sr-Y, expected Sr12CaY4(Co3O29)4 to be Sr10CaY4(CoO3)10" +mp-1045774,YCo4(CuO4)3,-6.7956980775,-1.4678167356,0.0021481166,0.0021481166,GGA+U,Im-3,A4B3C12D_cI40_204_c_b_g_a:Co-Cu-O-Y,20.0,A4B3C12D_cI40_204_c_b_g_a:Co-Cu-O-Y +mp-1076470,Sr2Ca6Co7CuO20,-6.6237782896,-1.9514507438,0.2248437107,0.2248437107,GGA+U,P1,A6B7CD20E2_aP144_1_24a_28a_4a_80a_8a:Ca-Co-Cu-O-Sr,144.0,A6B7CD20E2_aP144_1_24a_28a_4a_80a_8a:Ca-Co-Cu-O-Sr +mp-1099611,Sr4Ca4Co7CuO24,-6.6073879268,-1.9234295858,0.0889951492,0.0889951492,GGA+U,Cm,A4B7CD24E4_mC80_8_2ab_3a2b_a_4a10b_2ab:Ca-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A4B7CD24E4_mC80_8_2a2b_3a4b_a_4a20b_2a2b:Ca-Co-Cu-O-Sr, expected Sr6Ca6Co11CuO44 to be Sr4Ca4Co7CuO24" +mp-1076741,Sr6Ca2Co7CuO24,-6.5983582578,-1.9302052381,0.0707097756,0.0707097756,GGA+U,Cmm2,A2B7CD24E6_oC80_35_d_a2b2c_a_2a2b2c4f_d2e:Ca-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A2B7CD24E6_oC80_35_d_a2b4c_a_2a2b4c12f_2d4e:Ca-Co-Cu-O-Sr, expected Sr12Ca2Co11CuO60 to be Sr6Ca2Co7CuO24" +mp-1076688,Sr3CaCo3CuO12,-6.4956670312,-1.9027417897,0.0758868129,0.0758868129,GGA+U,Pma2,AB3CD12E3_oP40_28_c_a2b_a_2a2b4c2d_3c:Ca-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - AB3CD12E3_oP40_28_c_a2b_a_2a2b4c4d_6c:Ca-Co-Cu-O-Sr, expected Sr6CaCo3CuO16 to be Sr3CaCo3CuO12" +mp-1076273,Sr2Ca2Co3CuO10,-6.50760228,-1.9364226225,0.2099909483,0.2099909483,GGA+U,P1,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Co-Cu-O-Sr,144.0,A2B3CD10E2_aP144_1_16a_24a_8a_80a_16a:Ca-Co-Cu-O-Sr +mp-1076118,Sr6Ca2Co7CuO20,-6.5540989449,-1.9168943354,0.2303006957,0.2303006957,GGA+U,P1,A2B7CD20E6_aP144_1_8a_28a_4a_80a_24a:Ca-Co-Cu-O-Sr,144.0,A2B7CD20E6_aP144_1_8a_28a_4a_80a_24a:Ca-Co-Cu-O-Sr +mp-1099844,Sr2Ca2Co3CuO12,-6.502198815,-1.8934682522,0.0971201537,0.0971201537,GGA+U,Pm,A2B3CD12E2_mP40_6_2a2b_3c_c_4a4b8c_2a2b:Ca-Co-Cu-O-Sr,40.0,A2B3CD12E2_mP40_6_2a2b_3c_c_4a4b8c_2a2b:Ca-Co-Cu-O-Sr +mp-1093698,Y2CoCu,-3.781015395,2.2541012779000003,2.4819826238,2.4819826238,GGA,Immm,ABC2_oI8_71_a_b_e:Co-Cu-Y,4.0,ABC2_oI8_71_a_b_e:Co-Cu-Y +mp-1076175,Sr4Ca4Co7CuO20,-6.587404089,-1.9326380114,0.2317762651,0.2317762651,GGA+U,P1,A4B7CD20E4_aP144_1_16a_28a_4a_80a_16a:Ca-Co-Cu-O-Sr,144.0,A4B7CD20E4_aP144_1_16a_28a_4a_80a_16a:Ca-Co-Cu-O-Sr +mp-1099600,Sr2Ca6Co7CuO24,-6.613991336,-1.9142276737,0.1050313422,0.1050313422,GGA+U,Amm2,A6B7CD24E2_oC80_38_cf_a2bde_a_2c4d4ef_c:Ca-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A6B7CD24E2_oC80_38_2c3f_a2bde_a_4c8d8e2f_c:Ca-Co-Cu-O-Sr, expected Sr2Ca16Co7CuO48 to be Sr2Ca6Co7CuO24" +mp-1216214,Y2(CoCu)5,-5.8094717675,-0.0619247215,0.095760313,0.095760313,GGA,Pmmm,A5B5C2_oP12_47_eij_hx_bc:Co-Cu-Y,12.0,"Invalid WP multiplicities - A5B5C2_oP12_47_e2ij_hx_bc:Co-Cu-Y, expected Y2Co7Cu5 to be Y2(CoCu)5" +mp-1076678,Sr6Ca2Co5Cu3O20,-6.4247534507,-1.9547216815,0.1575145016,0.1575145016,GGA+U,P1,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Co-Cu-O-Sr,144.0,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ca-Co-Cu-O-Sr +mp-1173231,Sr4CaYCo2(Cu2O7)2,-6.6213146381,-2.1945012137,0.0064177296,0.0064177296,GGA+U,C2/m,AB2C4D14E4F_mC52_12_a_h_j_3i2j_2i_b:Ca-Co-Cu-O-Sr-Y,26.0,"Invalid WP multiplicities - AB2C4D14E4F_mC52_12_a_h_j_6i5j_3i_b:Ca-Co-Cu-O-Sr-Y, expected Sr6CaYCo2(CuO8)4 to be Sr4CaYCo2(Cu2O7)2" +mp-1845875,Sr6Y2Co3(Cu2O7)3,-6.6487343141,-2.0995090697,0.0508616932,0.0508616932,GGA+U,Cc,A3B6C21D6E2_mC152_9_3a_6a_21a_6a_2a:Co-Cu-O-Sr-Y,76.0,"Invalid WP multiplicities - A3B6C21D6E2_mC152_9_5a_12a_41a_12a_3a:Co-Cu-O-Sr-Y, expected Sr12Y3Co5Cu12O41 to be Sr6Y2Co3(Cu2O7)3" +mp-1199930,Y2Co14Cu3,-6.5901613529,-0.0245291757,0.0774821996,0.0774821996,GGA,P6_3/mmc,A14B3C2_hP38_194_fjk_g_bc:Co-Cu-Y,38.0,A14B3C2_hP38_194_fjk_g_bc:Co-Cu-Y +mp-2230339,K2Na2La2MgNb2O10,-7.2486650511,-2.7219471598,0.218170827,0.218170827,GGA,Pm,A2B2CD2E2F10_mP19_6_ab_ab_a_ab_ab_ab4c:K-La-Mg-Na-Nb-O,19.0,"Invalid WP multiplicities - A2B2CD2E2F10_mP19_6_ab_ab_a_ab_ab_ab7c:K-La-Mg-Na-Nb-O, expected K2Na2La2MgNb2O16 to be K2Na2La2MgNb2O10" +mp-2231300,K2Na2La2MgNb2O10,-7.2297915705,-2.7030736793,0.2370443076,0.2370443076,GGA,P4mm,A2B2CD2E2F10_tP19_99_c_c_a_ab_ab_ab2d:K-La-Mg-Na-Nb-O,19.0,"Invalid WP multiplicities - A2B2CD2E2F10_tP19_99_c_c_a_ab_ab_ab4d:K-La-Mg-Na-Nb-O, expected K2Na2La2MgNb2O18 to be K2Na2La2MgNb2O10" +mp-2217742,Na2MgNb2O6,-7.43737675,-2.5166428423,0.2518284277,0.2518284277,GGA,P1,AB2C2D6_aP11_1_a_2a_2a_6a:Mg-Na-Nb-O,11.0,AB2C2D6_aP11_1_a_2a_2a_6a:Mg-Na-Nb-O +mp-2218024,Na2MgNb2O6,-7.5955914836,-2.674857576,0.0936136941,0.0936136941,GGA,P-1,AB2C2D6_aP11_2_a_i_i_3i:Mg-Na-Nb-O,11.0,"Invalid WP multiplicities - AB2C2D6_aP11_2_a_i_i_6i:Mg-Na-Nb-O, expected Na2MgNb2O12 to be Na2MgNb2O6" +mp-2218056,Na2MgNb2O6,-7.3720778336,-2.451343926,0.3171273441,0.3171273441,GGA,Amm2,AB2C2D6_oC22_38_a_2a_e_2bde:Mg-Na-Nb-O,11.0,"Invalid WP multiplicities - AB2C2D6_oC22_38_a_2a_e_2bd2e:Mg-Na-Nb-O, expected Na2MgNb2O8 to be Na2MgNb2O6" +mp-2217377,Na2MgNb2O6,-7.5197224073,-2.5989884996,0.1694827705,0.1694827705,GGA,R-3,AB2C2D6_hR33_148_a_c_c_f:Mg-Na-Nb-O,11.0,AB2C2D6_hR33_148_a_c_c_f:Mg-Na-Nb-O +mp-2217813,Na2MgNb2O6,-7.51703133,-2.5962974223,0.1721738477,0.1721738477,GGA,R-3,AB2C2D6_hR33_148_a_c_c_f:Mg-Na-Nb-O,11.0,AB2C2D6_hR33_148_a_c_c_f:Mg-Na-Nb-O +mp-2232351,Na7MgNbO6,-5.222302702,-1.8463430746,0.2022590235,0.2022590235,GGA,P1,AB7CD6_aP15_1_a_7a_a_6a:Mg-Na-Nb-O,15.0,AB7CD6_aP15_1_a_7a_a_6a:Mg-Na-Nb-O +mp-2232621,Na7MgNbO6,-5.1097722553,-1.7338126279,0.3147894701,0.3147894701,GGA,R3,AB7CD6_hR45_146_a_a2b_a_2b:Mg-Na-Nb-O,15.0,"Invalid WP multiplicities - AB7CD6_hR45_146_a_a3b_a_3b:Mg-Na-Nb-O, expected Na10MgNbO9 to be Na7MgNbO6" +mp-10942,KNaLaNbO5,-7.7347106944,-3.0454129231,0.0,-0.0563390879,GGA,P4/nmm,ABCDE5_tP18_129_a_b_c_c_cj:K-La-Na-Nb-O,18.0,ABCDE5_tP18_129_a_b_c_c_cj:K-La-Na-Nb-O +mp-1222066,MgTi4MnZnNiO12,-8.3644877865,-2.9272673748,0.0109435025,0.0109435025,GGA+U,P1,ABCD12E4F_aP20_1_a_a_a_12a_4a_a:Mg-Mn-Ni-O-Ti-Zn,40.0,ABCD12E4F_aP20_1_a_a_a_12a_4a_a:Mg-Mn-Ni-O-Ti-Zn +mp-1370243,MgTi4MnZnNiO12,-7.184161399,-1.7469409873,1.19126989,1.19126989,GGA+U,P1,ABCD12E4F_aP20_1_a_a_a_12a_4a_a:Mg-Mn-Ni-O-Ti-Zn,20.0,ABCD12E4F_aP20_1_a_a_a_12a_4a_a:Mg-Mn-Ni-O-Ti-Zn +mp-1217119,Ti2MnNiO6,-8.8135419775,-2.7722151502,0.0042090875,0.0042090875,GGA+U,R3,ABC6D2_hR30_146_a_a_2b_2a:Mn-Ni-O-Ti,20.0,ABC6D2_hR30_146_a_a_2b_2a:Mn-Ni-O-Ti +mp-1222049,MgTi3ZnNiO9,-8.0443269507,-2.9212046313,0.0112873943,0.0112873943,GGA+U,P3,ABC9D3E_hP30_143_ab_ac_6d_2a2b2c_bc:Mg-Ni-O-Ti-Zn,30.0,"Invalid WP multiplicities - ABC9D3E_hP30_143_ab_ac_18d_2a2b2c_bc:Mg-Ni-O-Ti-Zn, expected MgTi3ZnNiO27 to be MgTi3ZnNiO9" +mp-1042547,Sr2YFeCu2O7,-7.0574405185,-2.354308707,0.0202116858,0.0202116858,GGA+U,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Fe-O-Sr-Y,26.0,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Fe-O-Sr-Y +mp-1218472,Sr2YFeCu2O7,-7.0003075015,-2.2971756901,0.0773447027,0.0773447027,GGA+U,Pmmm,A2BC7D2E_oP13_47_j_c_aijl_k_f:Cu-Fe-O-Sr-Y,13.0,A2BC7D2E_oP13_47_j_c_aijl_k_f:Cu-Fe-O-Sr-Y +mp-1173246,Sr2Y4Fe2Cu2O13,-7.9619510593,-2.8015040869,0.0230203549,0.0230203549,GGA+U,C2/c,A2B2C13D2E4_mC92_15_f_f_3e5f_f_2f:Cu-Fe-O-Sr-Y,46.0,"Invalid WP multiplicities - A2B2C13D2E4_mC92_15_f_f_6e20f_f_5f:Cu-Fe-O-Sr-Y, expected SrY5FeCuO23 to be Sr2Y4Fe2Cu2O13" +mp-1218649,Sr2Y4Fe2Cu2O13,-7.9670952789,-2.8066483065,0.0178761354,0.0178761354,GGA+U,C2/c,A2B2C13D2E4_mC92_15_f_f_e6f_f_2f:Cu-Fe-O-Sr-Y,46.0,"Invalid WP multiplicities - A2B2C13D2E4_mC92_15_f_f_e9f_f_5f:Cu-Fe-O-Sr-Y, expected Sr2Y10Fe2Cu2O19 to be Sr2Y4Fe2Cu2O13" +mp-1218585,Sr4Y2Fe2Cu4O15,-6.992841607,-2.2806891697,0.0531251832,0.0531251832,GGA+U,Fmmm,A4B2C15D4E2_oF108_69_n_g_ae2ijn_m_c:Cu-Fe-O-Sr-Y,27.0,"Invalid WP multiplicities - A4B2C15D4E2_oF108_69_n_g_ae4i2jn_m_c:Cu-Fe-O-Sr-Y, expected Sr4Y2Fe2Cu4O23 to be Sr4Y2Fe2Cu4O15" +mp-1218669,Sr6Y3Fe(Cu4O11)2,-6.725052734,-2.2343727271,0.0241359395,0.0241359395,GGA+U,P2/m,A8BC22D6E3_mP40_10_4n_b_ae3m7n_3m_cm:Cu-Fe-O-Sr-Y,40.0,"Invalid WP multiplicities - A8BC22D6E3_mP40_10_7n_b_ah6m14n_6m_cm:Cu-Fe-O-Sr-Y, expected Sr12Y3Fe(CuO3)14 to be Sr6Y3Fe(Cu4O11)2" +mp-1046226,Sr2YCu2BiO7,-6.6722225846,-2.3252086255,0.0431500259,0.0431500259,GGA,Ima2,AB2C7D2E_oI52_46_b_c_b3c_c_a:Bi-Cu-O-Sr-Y,26.0,AB2C7D2E_oI52_46_b_c_b3c_c_a:Bi-Cu-O-Sr-Y +mp-1208863,Sr2YCu2(BiO4)2,-6.5348033887,-2.1815794347,0.091538106,0.091538106,GGA,Cccm,A2B2C8D2E_oC60_66_l_l_2g2l_l_e:Bi-Cu-O-Sr-Y,30.0,A2B2C8D2E_oC60_66_l_l_2g2l_l_e:Bi-Cu-O-Sr-Y +mp-1208753,Sr2YCu2(BiO4)2,-6.512756988,-2.159533034,0.1135845066,0.1135845066,GGA,I4/mmm,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Y,15.0,A2B2C8D2E_tI30_139_e_e_2eg_e_a:Bi-Cu-O-Sr-Y +mp-1173223,Sr3Y2FeCu3BiO12,-6.8223528143,-2.1873611111,0.2372518396,0.2372518396,GGA+U,P2_1/m,AB3CD12E3F2_mP44_11_e_3e_e_4e4f_3e_2e:Bi-Cu-Fe-O-Sr-Y,44.0,"Invalid WP multiplicities - AB3CD12E3F2_mP44_11_e_5e_e_8e14f_4e_4e:Bi-Cu-Fe-O-Sr-Y, expected Sr4Y4FeCu5BiO36 to be Sr3Y2FeCu3BiO12" +mp-1218551,Sr3Y2FeCu3BiO12,-7.0015138459,-2.3665221427,0.058090808,0.058090808,GGA+U,Amm2,AB3CD12E3F2_oC44_38_a_2ab_b_2a2b2f_a2b_ab:Bi-Cu-Fe-O-Sr-Y,22.0,AB3CD12E3F2_oC44_38_a_2ab_b_2a2b2f_a2b_ab:Bi-Cu-Fe-O-Sr-Y +mp-2715285,Na3ScSiGe(PO6)2,-7.2922012044,-2.7654381835,0.091356866,0.091356866,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ge-Na-O-P-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Ge-Na-O-P-Sc-Si, expected Na14Sc3Si3Ge3(P5O36)2 to be Na3ScSiGe(PO6)2" +mp-2715503,Na3ScSiGe(PO6)2,-7.2891364613,-2.7623734403,0.0944216092,0.0944216092,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ge-Na-O-P-Sc-Si,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ge-Na-O-P-Sc-Si, expected Na3ScSiGe(PO15)2 to be Na3ScSiGe(PO6)2" +mp-1200860,NaScP2O7,-7.8930039602,-3.0649657429,0.0,-0.0285480583,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Sc,44.0,AB7C2D_mP44_14_e_7e_2e_e:Na-O-P-Sc +mp-2712760,Na2SiGe2(PO6)2,-7.1133441728,-2.5079076531,0.0564916565,0.0564916565,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:Ge-Na-O-P-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:Ge-Na-O-P-Si, expected Na6Si3Ge6(P5O36)2 to be Na2SiGe2(PO6)2" +mp-2715453,Na3Si2Ge2PO12,-6.9876501012,-2.5457583666,0.0914498902,0.0914498902,GGA,Cc,A2B3C12DE2_mC80_9_2a_3a_12a_a_2a:Ge-Na-O-P-Si,120.0,"Invalid WP multiplicities - A2B3C12DE2_mC80_9_6a_13a_72a_a_12a:Ge-Na-O-P-Si, expected Na13Si12Ge6PO72 to be Na3Si2Ge2PO12" +mp-2715261,Na3Si2Ge2PO12,-6.9921819486,-2.550290214,0.0869180428,0.0869180428,GGA,Cc,A2B3C12DE2_mC80_9_2a_3a_12a_a_2a:Ge-Na-O-P-Si,80.0,"Invalid WP multiplicities - A2B3C12DE2_mC80_9_5a_3a_30a_a_5a:Ge-Na-O-P-Si, expected Na3Si5Ge5PO30 to be Na3Si2Ge2PO12" +mp-2714473,Na4Sc2Si(PO6)2,-7.4962223247,-3.0406400884,0.0074239127,0.0074239127,GGA,Cc,A4B12C2D2E_mC252_9_12a_36a_6a_6a_3a:Na-O-P-Sc-Si,126.0,"Invalid WP multiplicities - A4B12C2D2E_mC252_9_21a_72a_10a_6a_3a:Na-O-P-Sc-Si, expected Na21Sc6Si3(P5O36)2 to be Na4Sc2Si(PO6)2" +mp-2712986,Na3SiGe4P5O24,-7.1827300046,-2.4888908983,0.0343210556,0.0343210556,GGA,P1,A4B3C24D5E_aP111_1_12a_9a_72a_15a_3a:Ge-Na-O-P-Si,111.0,A4B3C24D5E_aP111_1_12a_9a_72a_15a_3a:Ge-Na-O-P-Si +mp-2715597,Na4ScSi2GePO12,-7.1477625509,-2.7730101111,0.0782365441,0.0782365441,GGA,Cc,AB4C12DEF2_mC84_9_a_4a_12a_a_a_2a:Ge-Na-O-P-Sc-Si,126.0,"Invalid WP multiplicities - AB4C12DEF2_mC84_9_a_19a_72a_a_a_12a:Ge-Na-O-P-Sc-Si, expected Na19ScSi12GePO72 to be Na4ScSi2GePO12" +mp-2714618,Na7Si5Ge4PO24,-6.9310802972,-2.5649776094,0.0721852283,0.0721852283,GGA,P1,A4B7C24DE5_aP123_1_12a_21a_72a_3a_15a:Ge-Na-O-P-Si,123.0,A4B7C24DE5_aP123_1_12a_21a_72a_3a_15a:Ge-Na-O-P-Si +mp-2715658,Na7Sc4SiP5O24,-7.5822098789,-3.0505046811,0.0112413498,0.0112413498,GGA,P1,A7B24C5D4E_aP123_1_21a_72a_15a_12a_3a:Na-O-P-Sc-Si,123.0,A7B24C5D4E_aP123_1_21a_72a_15a_12a_3a:Na-O-P-Sc-Si +mp-8054,NaSc(GeO3)2,-7.2977298445,-2.6396116069,0.0,-0.0261123179,GGA,C2/c,A2BC6D_mC40_15_f_e_3f_e:Ge-Na-O-Sc,20.0,A2BC6D_mC40_15_f_e_3f_e:Ge-Na-O-Sc +mp-2714862,Na7Sc2Si3Ge2(PO8)3,-7.2350493289,-2.7861453861000003,0.0688003508,0.0688003508,GGA,P1,A2B7C24D3E2F3_aP123_1_6a_21a_72a_9a_6a_9a:Ge-Na-O-P-Sc-Si,123.0,A2B7C24D3E2F3_aP123_1_6a_21a_72a_9a_6a_9a:Ge-Na-O-P-Sc-Si +mp-2716307,Na3ScGe3(PO4)6,-7.3503965772,-2.6106810999,0.0328222485,0.0328222485,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ge-Na-O-P-Sc,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ge-Na-O-P-Sc +mp-2714170,Na5Sc2SiGe2P5O24,-7.3774618562,-2.7688469839,0.0623336978,0.0623336978,GGA,P1,A2B5C24D5E2F_aP117_1_6a_15a_72a_15a_6a_3a:Ge-Na-O-P-Sc-Si,117.0,A2B5C24D5E2F_aP117_1_6a_15a_72a_15a_6a_3a:Ge-Na-O-P-Sc-Si +mp-2716456,Na5Sc3Ge(PO4)6,-7.5622148532,-2.9100762443,0.0330447802,0.0330447802,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-P-Sc,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-P-Sc +mp-16956,Na3Sc2(PO4)3,-7.6877464695,-3.0761121622,0.0,-0.0454758655,GGA,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Sc,40.0,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Sc +mp-1221287,Na3Sc2(PO4)3,-7.6838585978,-3.0722242905,0.0038878717,-0.0415879937,GGA,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Sc,40.0,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Sc +mp-2715413,Na3Sc2(PO4)3,-7.6803491749,-3.0687148676,0.0073972946,-0.0380785709,GGA,Cc,A3B12C3D2_mC80_9_3a_12a_3a_2a:Na-O-P-Sc,80.0,"Invalid WP multiplicities - A3B12C3D2_mC80_9_3a_30a_6a_5a:Na-O-P-Sc, expected Na3Sc5(PO5)6 to be Na3Sc2(PO4)3" +mp-2715518,Na3Sc2(PO4)3,-7.6766445783,-3.0650102711,0.0111018912,-0.0343739743,GGA,Cc,A3B12C3D2_mC240_9_9a_36a_9a_6a:Na-O-P-Sc,120.0,"Invalid WP multiplicities - A3B12C3D2_mC240_9_13a_72a_18a_6a:Na-O-P-Sc, expected Na13Sc6(PO4)18 to be Na3Sc2(PO4)3" +mp-1221280,Na3Sc2(PO4)3,-7.680117853,-3.0684835457,0.0076286165,-0.037847249,GGA,C2/c,A3B12C3D2_mC80_15_cf_6f_ef_f:Na-O-P-Sc,40.0,"Invalid WP multiplicities - A3B12C3D2_mC80_15_af_18f_2ef_f:Na-O-P-Sc, expected Na3Sc2(PO9)4 to be Na3Sc2(PO4)3" +mp-555608,Na3Sc2(PO4)3,-7.6761705083,-3.064536201,0.0115759613,-0.0338999042,GGA,R-3c,A3B12C3D2_hR120_167_e_2f_e_c:Na-O-P-Sc,40.0,"Invalid WP multiplicities - A3B12C3D2_hR120_167_e_15f_e_c:Na-O-P-Sc, expected Na3Sc2(PO30)3 to be Na3Sc2(PO4)3" +mp-2713312,Na2ScGe(PO4)3,-7.4459159617,-2.7511412458,0.0475097268,0.0475097268,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ge-Na-O-P-Sc,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ge-Na-O-P-Sc, expected Na2ScGe(PO4)18 to be Na2ScGe(PO4)3" +mp-561458,Na4Sc2(PO4)3,-7.3576238348,-2.9026137662,0.0754753665,0.0754753665,GGA,R-3c,A4B12C3D2_hR126_167_be_2f_e_c:Na-O-P-Sc,42.0,"Invalid WP multiplicities - A4B12C3D2_hR126_167_2b2e_14f_e_c:Na-O-P-Sc, expected Na8Sc2(PO28)3 to be Na4Sc2(PO4)3" +mp-555982,Si2Ge3P6O25,-7.6382707869,-2.6141943301,0.0,-0.0016153308,GGA,P-31c,A3B25C6D2_hP72_163_cf_a4i_i_e:Ge-O-P-Si,72.0,"Invalid WP multiplicities - A3B25C6D2_hP72_163_cf_2a38i_i_e:Ge-O-P-Si, expected Si2Ge3(P3O115)2 to be Si2Ge3P6O25" +mp-2714023,Na5Si3Ge4(PO8)3,-7.0456608007,-2.5240934015,0.0793810917,0.0793810917,GGA,P1,A4B5C24D3E3_aP117_1_12a_15a_72a_9a_9a:Ge-Na-O-P-Si,117.0,A4B5C24D3E3_aP117_1_12a_15a_72a_9a_9a:Ge-Na-O-P-Si +mp-1227157,Ca5Bi6(Cl3O2)4,-5.3341959494,-2.2752642142,0.0,-0.0103460861,GGA,Immm,A6B5C12D8_oI62_71_en_afh_bcefgn_o:Bi-Ca-Cl-O,31.0,"Invalid WP multiplicities - A6B5C12D8_oI62_71_2e3n_af2h_bc2e2f2g3n_o:Bi-Ca-Cl-O, expected Ca7Bi16(Cl13O4)2 to be Ca5Bi6(Cl3O2)4" +mp-558673,Pb3WCl2O5,-6.6099205964,-1.834776204,0.0,-0.0007504661,GGA+U,Cmcm,A2B5C3D_oC44_63_ac_ch_cf_c:Cl-O-Pb-W,22.0,"Invalid WP multiplicities - A2B5C3D_oC44_63_ac_2c2h_2cf_c:Cl-O-Pb-W, expected Pb4W(ClO5)2 to be Pb3WCl2O5" +mp-1233335,CaBi3PbWClO8,-6.48308757,-1.7084281753,0.327240311,0.327240311,GGA+U,Pmm2,A3BCD8EF_oP15_25_2bc_a_c_3a2b3d_c_b:Bi-Ca-Cl-O-Pb-W,15.0,A3BCD8EF_oP15_25_2bc_a_c_3a2b3d_c_b:Bi-Ca-Cl-O-Pb-W +mp-1227566,Bi3PbWClO8,-6.7924617707,-1.8200124107,0.0490931904,0.0490931904,GGA+U,P4mm,A3BC8DE_tP14_99_2ab_b_2a3c_b_a:Bi-Cl-O-Pb-W,14.0,A3BC8DE_tP14_99_2ab_b_2a3c_b_a:Bi-Cl-O-Pb-W +mp-1227592,Bi3PbWClO8,-6.7990600429,-1.8266106829,0.0424949182,0.0424949182,GGA+U,P4mm,A3BC8DE_tP14_99_a2b_b_2a3c_a_a:Bi-Cl-O-Pb-W,14.0,A3BC8DE_tP14_99_a2b_b_2a3c_a_a:Bi-Cl-O-Pb-W +mp-553025,CaBiClO2,-5.960475163,-2.4428745445,0.0,-0.0721349738,GGA,P2_1/m,ABCD2_mP10_11_e_e_e_2e:Bi-Ca-Cl-O,10.0,ABCD2_mP10_11_e_e_e_2e:Bi-Ca-Cl-O +mp-1214466,CdI3N2,-2.9807367438,0.6885930329000001,1.2391391296,1.2391391296,GGA,Pmc2_1,AB3C2_oP24_26_ab_2a2bc_2c:Cd-I-N,24.0,AB3C2_oP24_26_ab_2a2bc_2c:Cd-I-N +mp-1182432,CdC2S2(IN2)2,-5.5238056261,0.2894519083,0.6727306658000001,0.6727306658000001,GGA,P2_1/c,A2BC2D4E2_mP44_14_2e_e_2e_4e_2e:C-Cd-I-N-S,44.0,A2BC2D4E2_mP44_14_2e_e_2e_4e_2e:C-Cd-I-N-S +mp-1199995,CdC2S2(IN2)2,-5.3209187305,0.492338804,0.8756175615,0.8756175615,GGA,P2_1/c,A2BC2D4E2_mP44_14_2e_e_2e_4e_2e:C-Cd-I-N-S,44.0,A2BC2D4E2_mP44_14_2e_e_2e_4e_2e:C-Cd-I-N-S +mp-1079041,Cd(IN)4,-2.7041119611,1.75836969,2.2014736561,2.2014736561,GGA,C2/m,AB4C4_mC18_12_a_2i_j:Cd-I-N,9.0,AB4C4_mC18_12_a_2i_j:Cd-I-N +mp-1190327,Cd(I3N2)2,-2.5396254091,1.3793807327,1.7419203414000002,1.7419203414000002,GGA,I4_1/amd,AB6C4_tI44_141_a_eh_g:Cd-I-N,22.0,AB6C4_tI44_141_a_eh_g:Cd-I-N +mp-1226150,KNaCa2(SiO3)8,-7.1270818785,-2.444659731,0.3345523728,0.3345523728,GGA,P2_1,A2BCD24E8_mP72_4_2a_a_a_24a_8a:Ca-K-Na-O-Si,72.0,"Invalid WP multiplicities - A2BCD24E8_mP72_4_2a_a_a_36a_12a:Ca-K-Na-O-Si, expected KNaCa2(SiO3)12 to be KNaCa2(SiO3)8" +mp-1181756,K2Na4Ca5(Si6O17)2,-7.3252426711,-2.9247140568,0.1406753724,0.1406753724,GGA,Cm,A5B2C4D34E12_mC114_8_a2b_2a_4a_14a10b_4a4b:Ca-K-Na-O-Si,57.0,A5B2C4D34E12_mC114_8_a2b_2a_4a_14a10b_4a4b:Ca-K-Na-O-Si +mp-1205191,K2Na4Ca5(Si6O17)2,-7.3801429895,-2.9796143753,0.085775054,0.085775054,GGA,Cm,A5B2C4D34E12_mC114_8_a2b_2a_4a_14a10b_4a4b:Ca-K-Na-O-Si,57.0,A5B2C4D34E12_mC114_8_a2b_2a_4a_14a10b_4a4b:Ca-K-Na-O-Si +mp-17850,K3NaTh2O6,-7.0580233175,-2.9612257423,0.0,-0.0199954501,GGA,C2/c,A3BC6D2_mC48_15_cf_e_3f_2e:K-Na-O-Th,24.0,"Invalid WP multiplicities - A3BC6D2_mC48_15_af_e_6f_2e:K-Na-O-Th, expected K3NaTh2O12 to be K3NaTh2O6" +mp-1223475,KNaCaTh(Si2O5)4,-8.1310748928,-3.3126779917,0.0,-0.0084755511,GGA,P-42c,ABCD20E8F_tP64_112_b_e_d_5n_2n_a:Ca-K-Na-O-Si-Th,64.0,"Invalid WP multiplicities - ABCD20E8F_tP64_112_b_e_d_13n_6n_a:Ca-K-Na-O-Si-Th, expected KNaCaTh(Si6O13)4 to be KNaCaTh(Si2O5)4" +mp-2713521,Na10Ca3Zr5(PO4)12,-7.6815954838,-3.0100410743,0.0264523685,0.0264523685,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Zr,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Zr +mp-728291,Na2CaZr2Si10O27,-8.108403077,-3.1188833811,0.1039544398,0.1039544398,GGA,Cc,AB2C27D10E2_mC168_9_a_2a_27a_10a_2a:Ca-Na-O-Si-Zr,84.0,AB2C27D10E2_mC168_9_a_2a_27a_10a_2a:Ca-Na-O-Si-Zr +mp-1197941,Na2CaZr2Si10O27,-8.1104618717,-3.1209421757,0.1018956451,0.1018956451,GGA,C2/c,AB2C27D10E2_mC168_15_e_f_e13f_5f_f:Ca-Na-O-Si-Zr,84.0,AB2C27D10E2_mC168_15_e_f_e13f_5f_f:Ca-Na-O-Si-Zr +mp-2715635,Na7Ca2Zr2SiP5O24,-7.3840537176,-2.955355237,0.0411560896,0.0411560896,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Zr,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Zr +mp-720989,Na9Zr8Si4(P4O23)2,-7.561010987299999,-2.589814913,0.5199874994,0.5199874994,GGA,P1,A9B46C8D4E8_aP75_1_9a_46a_8a_4a_8a:Na-O-P-Si-Zr,75.0,A9B46C8D4E8_aP75_1_9a_46a_8a_4a_8a:Na-O-P-Si-Zr +mp-2714194,Na14Ca5Zr3(PO4)12,-7.2859989941,-2.9373752915,0.0213542062,0.0213542062,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Zr,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Zr +mp-1210586,NaCa2ZrSi2O9,-7.826155023,-3.20933768,0.0606702842,0.0606702842,GGA,P2_1,A2BC9D2E_mP60_4_4a_2a_18a_4a_2a:Ca-Na-O-Si-Zr,60.0,A2BC9D2E_mP60_4_4a_2a_18a_4a_2a:Ca-Na-O-Si-Zr +mp-677042,Na7Zr4Si5PO24,-7.8816799673,-3.1326823746,0.0053882734,0.0053882734,GGA,P1,A7B24CD5E4_aP41_1_7a_24a_a_5a_4a:Na-O-P-Si-Zr,41.0,A7B24CD5E4_aP41_1_7a_24a_a_5a_4a:Na-O-P-Si-Zr +mp-2714434,Na7Zr4Si5PO24,-7.8742990053,-3.1253014126,0.0127692354,0.0127692354,GGA,P1,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Zr,123.0,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Zr +mp-1195188,Ca3(Si4P7)2,-5.4104534004,-0.4022302415,0.0,-0.0020951251,GGA,P2_1/c,A3B14C8_mP50_14_ae_7e_4e:Ca-P-Si,50.0,A3B14C8_mP50_14_ae_7e_4e:Ca-P-Si +mp-2714697,Na7CaZr3Si3(PO8)3,-7.6247303603,-3.0358823236,0.0333425313,0.0333425313,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Zr,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Zr +mp-2715685,Na8CaZr3Si4(PO12)2,-7.5376848437,-3.0263203123,0.0337276026,0.0337276026,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Zr,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Zr +mp-2715471,Na3CaZr(PO4)3,-7.4719290622,-2.9658766399000003,0.030762781,0.030762781,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Ca-Na-O-P-Zr,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Ca-Na-O-P-Zr, expected Na14Ca3Zr3(PO4)18 to be Na3CaZr(PO4)3" +mp-2715328,Na3CaZr(PO4)3,-7.4716382048,-2.9655857825,0.0310536385,0.0310536385,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Ca-Na-O-P-Zr,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Ca-Na-O-P-Zr, expected Na3CaZr(PO5)6 to be Na3CaZr(PO4)3" +mp-695354,Na3Zr2Si2PO12,-7.977724467,-3.1433654549,0.006062125,0.0042072239,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-677437,Na3Zr2Si2PO12,-7.9656493208,-3.1312903086,0.0181372712,0.0162823702,GGA,P1,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr,40.0,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr +mp-695119,Na3Zr2Si2PO12,-7.9800112912,-3.1456522791,0.0037753008,0.0019203997,GGA,P1,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr,40.0,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr +mp-742054,Na3Zr2Si2PO12,-4.2673447303,0.5670142819,3.7164418617,3.7145869607,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-732188,Na3Zr2Si2PO12,-4.8981462121,-0.0637872,3.0856403799,3.0837854788,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-695112,Na3Zr2Si2PO12,-7.9736108288,-3.1392518166,0.0101757632,0.0083208622,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-725003,Na3Zr2Si2PO12,-2.8883652844,1.9459937277,5.0954213076,5.0935664066,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-686312,Na3Zr2Si2PO12,-7.9770680461,-3.142709034,0.0067185459,0.0048636448,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-532695,Na3Zr2Si2PO12,-7.983786592,-3.1494275799,0.0,-0.0018549011,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-1133317,Na3Zr2Si2PO12,-7.9779037584,-3.1435447463,0.0058828336,0.0040279326,GGA,P1,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr,80.0,A3B12CD2E2_aP80_1_12a_48a_4a_8a_8a:Na-O-P-Si-Zr +mp-1133351,Na3Zr2Si2PO12,-7.9761960825,-3.1418370704,0.0075905095,0.0057356084,GGA,P1,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr,40.0,A3B12CD2E2_aP40_1_6a_24a_2a_4a_4a:Na-O-P-Si-Zr +mp-1221148,Na3Zr2Si2PO12,-7.968563043,-3.1342040309,0.015223549,0.0133686479,GGA,C2,A3B12CD2E2_mC80_5_ab2c_12c_c_abc_2c:Na-O-P-Si-Zr,40.0,A3B12CD2E2_mC80_5_ab2c_12c_c_abc_2c:Na-O-P-Si-Zr +mp-2713548,Na3Zr2Si2PO12,-7.9711460309,-3.1367870188,0.0126405611,0.0107856601,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_3a_30a_a_5a_5a:Na-O-P-Si-Zr, expected Na3Zr5Si5PO30 to be Na3Zr2Si2PO12" +mp-2713573,Na3Zr2Si2PO12,-7.9706786148,-3.1363196026,0.0131079772,0.0112530762,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Zr,120.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_13a_72a_a_12a_6a:Na-O-P-Si-Zr, expected Na13Zr6Si12PO72 to be Na3Zr2Si2PO12" +mp-2715246,Na6CaZr3Si2(PO6)4,-7.718156215,-3.0479504978,0.0261416724,0.0261416724,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Ca-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Ca-Na-O-P-Si-Zr, expected Na12CaZr6Si4(PO6)8 to be Na6CaZr3Si2(PO6)4" +mp-2715323,Na6CaZr3Si2(PO6)4,-7.7202632669,-3.0500575497,0.0240346204,0.0240346204,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Zr,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Zr +mp-1194866,Ca3(SiP2)2,-5.1646294325,-0.8845576851,0.0,-0.0644925387,GGA,P2_1/c,A3B4C2_mP36_14_3e_4e_2e:Ca-P-Si,36.0,A3B4C2_mP36_14_3e_4e_2e:Ca-P-Si +mp-2712916,Na3Zr4SiP5O24,-8.2713778794,-3.1532498244,0.0112808274,0.0112808274,GGA,P1,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Zr,111.0,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Zr +mp-2714488,Na4CaZrSi(PO6)2,-7.2916230617,-2.9365950016,0.0562463058,0.0562463058,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Ca-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Ca-Na-O-P-Si-Zr, expected Na6CaZrSiP3O20 to be Na4CaZrSi(PO6)2" +mp-2715046,Na8Ca3Zr(PO4)6,-7.0983780022,-2.8996864135,0.0229383955,0.0229383955,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Zr,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Zr +mp-1227400,Ca5Si(PO6)2,-7.6698437544,-3.3878344055,0.0,-0.0083556903,GGA,P2_12_12_1,A5B12C2D_oP80_19_5a_12a_2a_a:Ca-O-P-Si,80.0,A5B12C2D_oP80_19_5a_12a_2a_a:Ca-O-P-Si +mp-723254,Na11Zr8Si7P5O48,-2.7879698081,2.0906907001,5.2437268927,5.2437268927,GGA,P1,A11B48C5D7E8_aP79_1_11a_48a_5a_7a_8a:Na-O-P-Si-Zr,79.0,A11B48C5D7E8_aP79_1_11a_48a_5a_7a_8a:Na-O-P-Si-Zr +mp-1266342,Na11Zr8Si7P5O48,-8.0168866716,-3.1382261634,0.0148100291,0.0148100291,GGA,P1,A11B48C5D7E8_aP79_1_11a_48a_5a_7a_8a:Na-O-P-Si-Zr,79.0,A11B48C5D7E8_aP79_1_11a_48a_5a_7a_8a:Na-O-P-Si-Zr +mp-2715897,Na5CaZr3SiP5O24,-7.8122132575,-3.0564776711,0.0197351303,0.0197351303,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Zr,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Zr +mp-2714067,Na5Zr4Si3(PO8)3,-8.058514436,-3.1344164958,0.0212350227,0.0212350227,GGA,P1,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Zr,117.0,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Zr +mp-686583,Na5Zr4Si3(PO8)3,-8.0598484526,-3.1357505124,0.0199010062,0.0199010062,GGA,R32,A5B24C3D3E4_hR117_155_cd_4f_e_d_2c:Na-O-P-Si-Zr,39.0,"Invalid WP multiplicities - A5B24C3D3E4_hR117_155_2cd_18f_e_d_2c:Na-O-P-Si-Zr, expected Na7Zr4Si3(PO36)3 to be Na5Zr4Si3(PO8)3" +mp-734340,Na9Zr8Si4(PO6)8,-4.8136213504,0.156938169,3.2926786746,3.2926786746,GGA,P1,A9B48C8D4E8_aP77_1_9a_48a_8a_4a_8a:Na-O-P-Si-Zr,77.0,A9B48C8D4E8_aP77_1_9a_48a_8a_4a_8a:Na-O-P-Si-Zr +mp-2714798,Na6CaZr7(PO4)12,-8.1389917957,-3.1095952515,0.0130690494,0.0130690494,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Zr,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Zr +mp-1214132,Ca4SiP4,-4.940922581,-1.0408195169,0.0,-0.0625012014,GGA,P-43n,A4B4C_cP72_218_ei_ei_ac:Ca-P-Si,72.0,A4B4C_cP72_218_ei_ei_ac:Ca-P-Si +mp-695056,Na6CaZr(SiO3)6,-7.4049733783,-3.0274497141,0.0160904664,0.0160904664,GGA,R3c,AB6C18D6E_hR192_161_a_2b_6b_2b_a:Ca-Na-O-Si-Zr,64.0,"Invalid WP multiplicities - AB6C18D6E_hR192_161_a_3b_25b_2b_a:Ca-Na-O-Si-Zr, expected Na9CaZr(Si2O25)3 to be Na6CaZr(SiO3)6" +mp-2713661,Na4CaZr3(PO4)6,-7.9048339945,-3.0590669667,0.019378078,0.019378078,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Zr,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Zr +mp-1221207,Na4Ca2SiP4,-3.9932318491,-0.6859746681000001,0.0,-0.0308688285,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Ca-Na-P-Si,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Ca-Na-P-Si, expected Na7Ca4SiP7 to be Na4Ca2SiP4" +mp-725514,Na13Zr7Si5P7O48,-4.7945658541,-0.0509721159,3.0127625515,3.0127625515,GGA,P1,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr,80.0,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr +mp-695427,Na13Zr7Si5P7O48,-7.774082139,-3.0304884007,0.0332462666,0.0332462666,GGA,P1,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr,80.0,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr +mp-726223,Na13Zr7Si5P7O48,-4.4224991629,0.3210945754,3.3848292428,3.3848292428,GGA,P1,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr,80.0,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr +mp-1255039,Na13Zr7Si5P7O48,-7.7836393,-3.0400455617,0.0236891056,0.0236891056,GGA,P1,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr,80.0,A13B48C7D5E7_aP80_1_13a_48a_7a_5a_7a:Na-O-P-Si-Zr +mp-1195298,CaSiP2,-5.2386053537,-0.6742246229000001,0.0204738602,0.0204738602,GGA,P4_12_12,AB2C_tP64_92_2b_2a3b_2b:Ca-P-Si,64.0,AB2C_tP64_92_2b_2a3b_2b:Ca-P-Si +mp-2712624,Na2Zr2Si(PO6)2,-8.1622578768,-3.1436979071,0.0162763474,0.0162763474,GGA,Cc,A2B12C2DE2_mC228_9_6a_36a_6a_3a_6a:Na-O-P-Si-Zr,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC228_9_6a_72a_10a_3a_6a:Na-O-P-Si-Zr, expected Na6Zr6Si3(P5O36)2 to be Na2Zr2Si(PO6)2" +mp-2713058,Na3Sc2Ta2SiP5O24,-8.2466365723,-3.0693276808,0.0352758803,0.0352758803,GGA,P1,A3B24C5D2EF2_aP111_1_9a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Ta,111.0,A3B24C5D2EF2_aP111_1_9a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Ta +mp-2713178,Na10ScTa7(SiO4)12,-8.3249116131,-3.1312316137,0.0124654867,0.0124654867,GGA,P1,A10B48CD12E7_aP234_1_30a_144a_3a_36a_21a:Na-O-Sc-Si-Ta,234.0,A10B48CD12E7_aP234_1_30a_144a_3a_36a_21a:Na-O-Sc-Si-Ta +mp-2715281,Na3ScTaSi2PO12,-7.9453953408,-3.056294055,0.0539497651,0.0539497651,GGA,Cc,A3B12CDE2F_mC80_9_3a_12a_a_a_2a_a:Na-O-P-Sc-Si-Ta,120.0,"Invalid WP multiplicities - A3B12CDE2F_mC80_9_13a_72a_a_a_12a_a:Na-O-P-Sc-Si-Ta, expected Na13ScTaSi12PO72 to be Na3ScTaSi2PO12" +mp-2715309,Na3ScTaSi2PO12,-7.9474607983,-3.0583595124,0.0518843076,0.0518843076,GGA,Cc,A3B12CDE2F_mC240_9_9a_36a_3a_3a_6a_3a:Na-O-P-Sc-Si-Ta,240.0,"Invalid WP multiplicities - A3B12CDE2F_mC240_9_30a_132a_10a_10a_22a_10a:Na-O-P-Sc-Si-Ta, expected Na15Sc5Ta5Si11P5O66 to be Na3ScTaSi2PO12" +mp-2713292,Na4Sc3Ta(PO4)6,-7.9987954425,-3.0686472786,0.0105333146,0.0105333146,GGA,P1,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Sc-Ta,114.0,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Sc-Ta +mp-2715823,Na5Sc3TaSiP5O24,-7.9041667674,-3.0662136636,0.0286564884,0.0286564884,GGA,P1,A5B24C5D3EF_aP117_1_15a_72a_15a_9a_3a_3a:Na-O-P-Sc-Si-Ta,117.0,A5B24C5D3EF_aP117_1_15a_72a_15a_9a_3a_3a:Na-O-P-Sc-Si-Ta +mp-2713507,NaScTa(PO4)3,-8.358752718,-3.0747002689,0.007889692,0.007889692,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-P-Sc-Ta,108.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_12b_b_a_a:Na-O-P-Sc-Ta, expected NaScTa(PO12)3 to be NaScTa(PO4)3" +mp-2716396,Na4ScTa(SiO4)3,-7.7750332433,-3.0551967416,0.0282083519,0.0282083519,GGA,R3c,A4B12CD3E_hR126_161_ab_4b_a_b_a:Na-O-Sc-Si-Ta,126.0,"Invalid WP multiplicities - A4B12CD3E_hR126_161_ab_12b_a_b_a:Na-O-Sc-Si-Ta, expected Na4ScTa(SiO12)3 to be Na4ScTa(SiO4)3" +mp-2713056,Na14Sc3Ta5(SiO4)12,-7.9472321951,-3.0771526333,0.0298331095,0.0298331095,GGA,P1,A14B48C3D12E5_aP246_1_42a_144a_9a_36a_15a:Na-O-Sc-Si-Ta,246.0,A14B48C3D12E5_aP246_1_42a_144a_9a_36a_15a:Na-O-Sc-Si-Ta +mp-2712661,Na2ScTaSi(PO6)2,-8.1382134325,-3.0620300167,0.0525853878,0.0525853878,GGA,Cc,A2B12C2DEF_mC228_9_6a_36a_6a_3a_3a_3a:Na-O-P-Sc-Si-Ta,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC228_9_6a_72a_10a_3a_3a_3a:Na-O-P-Sc-Si-Ta, expected Na6Sc3Ta3Si3(P5O36)2 to be Na2ScTaSi(PO6)2" +mp-2714735,Na7Sc3TaSi3(PO8)3,-7.7168201185,-3.0497651751,0.0344581262,0.0344581262,GGA,P1,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Sc-Si-Ta,123.0,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Sc-Si-Ta +mp-2713211,NaTa2Si2PO12,-8.7497458766,-3.1573967846,0.0,-0.005879428,GGA,Cc,AB12CD2E2_mC72_9_a_12a_a_2a_2a:Na-O-P-Si-Ta,108.0,"Invalid WP multiplicities - AB12CD2E2_mC72_9_a_72a_a_7a_6a:Na-O-P-Si-Ta, expected NaTa6Si7PO72 to be NaTa2Si2PO12" +mp-2716404,Na5ScTa3Si5PO24,-8.2292590564,-3.1067244362,0.0294656337,0.0294656337,GGA,P1,A5B24CDE5F3_aP117_1_15a_72a_3a_3a_15a_9a:Na-O-P-Sc-Si-Ta,117.0,A5B24CDE5F3_aP117_1_15a_72a_3a_3a_15a_9a:Na-O-P-Sc-Si-Ta +mp-2715380,Na6Sc3TaSi2(PO6)4,-7.8104025953,-3.0600347987,0.0331431924,0.0331431924,GGA,P1,A6B24C4D3E2F_aP120_1_18a_72a_12a_9a_6a_3a:Na-O-P-Sc-Si-Ta,120.0,A6B24C4D3E2F_aP120_1_18a_72a_12a_9a_6a_3a:Na-O-P-Sc-Si-Ta +mp-2715234,Na6Sc3TaSi2(PO6)4,-7.8103877886,-3.0600199921,0.0331579991,0.0331579991,GGA,P1,A6B24C4D3E2F_aP40_1_6a_24a_4a_3a_2a_a:Na-O-P-Sc-Si-Ta,80.0,"Invalid WP multiplicities - A6B24C4D3E2F_aP40_1_12a_48a_8a_6a_4a_a:Na-O-P-Sc-Si-Ta, expected Na12Sc6TaSi4(PO6)8 to be Na6Sc3TaSi2(PO6)4" +mp-2714349,Na3Ta4Si5PO24,-8.6325623726,-3.15528918,0.0052426699,0.0052426699,GGA,P1,A3B24CD5E4_aP111_1_9a_72a_3a_15a_12a:Na-O-P-Si-Ta,111.0,A3B24CD5E4_aP111_1_9a_72a_3a_15a_12a:Na-O-P-Si-Ta +mp-2712945,Na3ScTa3Si3(PO8)3,-8.4367166523,-3.1094256102,0.0260023575,0.0260023575,GGA,P1,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-P-Sc-Si-Ta,111.0,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-P-Sc-Si-Ta +mp-1200120,Na2Ta2(P2O7)3,-8.1037742879,-2.8547135194,0.0,-0.0469770006,GGA,P6_3/m,A2B21C6D2_hP62_176_ab_h3i_i_f:Na-O-P-Ta,62.0,A2B21C6D2_hP62_176_ab_h3i_i_f:Na-O-P-Ta +mp-2713839,Na2Sc3Ta5(PO4)12,-8.5562238061,-3.080051888,0.0,-0.003497661,GGA,P1,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-P-Sc-Ta,210.0,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-P-Sc-Ta +mp-2715646,Na2ScTa3Si2(PO6)4,-8.5514624588,-3.1132616883,0.0124544562,0.0124544562,GGA,P1,A2B24C4DE2F3_aP108_1_6a_72a_12a_3a_6a_9a:Na-O-P-Sc-Si-Ta,108.0,A2B24C4DE2F3_aP108_1_6a_72a_12a_3a_6a_9a:Na-O-P-Sc-Si-Ta +mp-2714161,NaTa4Si3(PO8)3,-8.8524260974,-3.1384253405,0.0096098207,0.0096098207,GGA,P1,AB24C3D3E4_aP105_1_3a_72a_9a_9a_12a:Na-O-P-Si-Ta,105.0,AB24C3D3E4_aP105_1_3a_72a_9a_9a_12a:Na-O-P-Si-Ta +mp-2714624,Na6Sc5Ta3(PO4)12,-8.1744921428,-3.0721743266,0.0086648779,0.0086648779,GGA,P1,A6B48C12D5E3_aP222_1_18a_144a_36a_15a_9a:Na-O-P-Sc-Ta,222.0,A6B48C12D5E3_aP222_1_18a_144a_36a_15a_9a:Na-O-P-Sc-Ta +mp-2715695,Ta2Si(PO6)2,-8.9678987386,-3.1250903364,0.0130325175,0.0130325175,GGA,Cc,A12B2CD2_mC204_9_36a_6a_3a_6a:O-P-Si-Ta,102.0,"Invalid WP multiplicities - A12B2CD2_mC204_9_60a_9a_3a_6a:O-P-Si-Ta, expected Ta2SiP3O20 to be Ta2Si(PO6)2" +mp-2714439,Na7Sc2Ta2Si5PO24,-7.8546701737,-3.0522654847,0.0487633848,0.0487633848,GGA,P1,A7B24CD2E5F2_aP123_1_21a_72a_3a_6a_15a_6a:Na-O-P-Sc-Si-Ta,123.0,A7B24CD2E5F2_aP123_1_21a_72a_3a_6a_15a_6a:Na-O-P-Sc-Si-Ta +mp-2715814,NaScTa3SiP5O24,-8.657840094200001,-3.1023918964,0.007171184,0.007171184,GGA,P1,AB24C5DEF3_aP105_1_3a_72a_15a_3a_3a_9a:Na-O-P-Sc-Si-Ta,105.0,AB24C5DEF3_aP105_1_3a_72a_15a_3a_3a_9a:Na-O-P-Sc-Si-Ta +mp-2715006,Na4ScTa3Si4(PO12)2,-8.3294727787,-3.107254111,0.0318045471,0.0318045471,GGA,P1,A4B24C2DE4F3_aP114_1_12a_72a_6a_3a_12a_9a:Na-O-P-Sc-Si-Ta,114.0,A4B24C2DE4F3_aP114_1_12a_72a_6a_3a_12a_9a:Na-O-P-Sc-Si-Ta +mp-2715430,Na6ScTa3(SiO4)6,-8.1317643748,-3.1039295996,0.02095293,0.02095293,GGA,P1,A6B24CD6E3_aP40_1_6a_24a_a_6a_3a:Na-O-Sc-Si-Ta,80.0,"Invalid WP multiplicities - A6B24CD6E3_aP40_1_12a_48a_a_12a_6a:Na-O-Sc-Si-Ta, expected Na12ScTa6(SiO4)12 to be Na6ScTa3(SiO4)6" +mp-2715457,Na6ScTa3(SiO4)6,-8.1293703293,-3.1015355541,0.0233469755,0.0233469755,GGA,P1,A6B24CD6E3_aP120_1_18a_72a_3a_18a_9a:Na-O-Sc-Si-Ta,120.0,A6B24CD6E3_aP120_1_18a_72a_3a_18a_9a:Na-O-Sc-Si-Ta +mp-2716490,Na10Sc7Ta(PO4)12,-7.8345288916,-3.067721167,0.0098858718,0.0098858718,GGA,P1,A10B48C12D7E_aP234_1_30a_144a_36a_21a_3a:Na-O-P-Sc-Ta,234.0,A10B48C12D7E_aP234_1_30a_144a_36a_21a_3a:Na-O-P-Sc-Ta +mp-2714186,Na5Sc2Ta2Si3(PO8)3,-8.0405671537,-3.0603232917,0.0583633639,0.0583633639,GGA,P1,A5B24C3D2E3F2_aP117_1_15a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Ta,117.0,A5B24C3D2E3F2_aP117_1_15a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Ta +mp-2713856,ScTa3(PO4)6,-8.7497559824,-3.0701634499,0.0,-0.0114714286,GGA,P3,A24B6CD3_hP102_143_24d_6d_2ab_2a3b4c:O-P-Sc-Ta,102.0,A24B6CD3_hP102_143_24d_6d_2ab_2a3b4c:O-P-Sc-Ta +mp-2715678,Na8Sc3TaSi4(PO12)2,-7.6338454783,-3.0461361094,0.023869989,0.023869989,GGA,P1,A8B24C2D3E4F_aP126_1_24a_72a_6a_9a_12a_3a:Na-O-P-Sc-Si-Ta,126.0,A8B24C2D3E4F_aP126_1_24a_72a_6a_9a_12a_3a:Na-O-P-Sc-Si-Ta +mp-2230014,K2Na2Sm2MgNb2O10,-7.19547985,-2.6916483767,0.2312431599,0.2312431599,GGA,Pm,A2BC2D2E10F2_mP19_6_ab_a_ab_ab_ab4c_ab:K-Mg-Na-Nb-O-Sm,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_mP19_6_ab_a_ab_ab_ab7c_ab:K-Mg-Na-Nb-O-Sm, expected K2Na2Sm2MgNb2O16 to be K2Na2Sm2MgNb2O10" +mp-2231355,K2Na2Sm2MgNb2O10,-7.2036754884,-2.6998440151,0.2230475215,0.2230475215,GGA,Cm,A2BC2D2E10F2_mC38_8_b_a_2a_2a_6a2b_b:K-Mg-Na-Nb-O-Sm,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_mC38_8_b_a_2a_2a_6a3b_b:K-Mg-Na-Nb-O-Sm, expected K2Na2Sm2MgNb2O12 to be K2Na2Sm2MgNb2O10" +mp-2231484,K2Na2Sm2MgNb2O10,-7.1753607626,-2.6715292893,0.2513622473,0.2513622473,GGA,P4mm,A2BC2D2E10F2_tP19_99_c_a_ab_ab_ab2d_c:K-Mg-Na-Nb-O-Sm,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_tP19_99_c_a_ab_ab_ab5d_c:K-Mg-Na-Nb-O-Sm, expected K2Na2Sm2MgNb2O22 to be K2Na2Sm2MgNb2O10" +mp-1200960,K2Na2Sm4Nb2O13,-7.9129979143,-3.2064867688,0.0,-0.0057221747,GGA,C2/c,A2B2C2D13E4_mC92_15_f_f_f_e6f_2f:K-Na-Nb-O-Sm,46.0,A2B2C2D13E4_mC92_15_f_f_f_e6f_2f:K-Na-Nb-O-Sm +mp-556438,KNaSmNbO5,-7.6820291328,-3.016889247,0.0,-0.0286815698,GGA,P4/nmm,ABCD5E_tP18_129_a_c_c_cj_b:K-Na-Nb-O-Sm,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_c_c_2c2j_b:K-Na-Nb-O-Sm, expected KNaSmNbO10 to be KNaSmNbO5" +mp-705853,NaCa8SmTi10(SiO5)10,-8.4908698206,-3.4580142394,0.0016468065,0.0016468065,GGA,P1,A8BC50D10EF10_aP80_1_8a_a_50a_10a_a_10a:Ca-Na-O-Si-Sm-Ti,80.0,A8BC50D10EF10_aP80_1_8a_a_50a_10a_a_10a:Ca-Na-O-Si-Sm-Ti +mp-2714581,Na6Ta8Si11SO48,-8.5775151122,-3.117334313,0.0148586239,0.0148586239,GGA,P1,A6B48CD11E8_aP222_1_18a_144a_3a_33a_24a:Na-O-S-Si-Ta,222.0,A6B48CD11E8_aP222_1_18a_144a_3a_33a_24a:Na-O-S-Si-Ta +mp-2716303,Na4TaGa(SiO4)3,-7.3962469075,-2.833761505,0.0464977314,0.0464977314,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Ga-Na-O-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Ga-Na-O-Si-Ta, expected Na4TaGa(SiO12)3 to be Na4TaGa(SiO4)3" +mp-2713934,Na2Ta5Ga3Si6(SO8)6,-7.8376408767,-2.6114995577,0.0501823068,0.0501823068,GGA,P1,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:Ga-Na-O-S-Si-Ta,210.0,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:Ga-Na-O-S-Si-Ta +mp-2716052,Na10Ta2Ga6Si7S5O48,-6.9897539175,-2.4870626609,0.121057211,0.121057211,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Ga-Na-O-S-Si-Ta,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Ga-Na-O-S-Si-Ta +mp-2716150,Na2Ta4Ga4Si5S7O48,-7.5592231305,-2.4776325226,0.0623883668,0.0623883668,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ga-Na-O-S-Si-Ta,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ga-Na-O-S-Si-Ta +mp-2715427,Na6Ta3Ga(SiO4)6,-7.9314047137,-2.9861792656,0.0286202416,0.0286202416,GGA,P1,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:Ga-Na-O-Si-Ta,120.0,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:Ga-Na-O-Si-Ta +mp-2715263,Na6Ta3Ga(SiO4)6,-7.9251500566,-2.9799246085,0.0348748987,0.0348748987,GGA,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Ga-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB6C24D6E3_aP40_1_a_12a_48a_12a_6a:Ga-Na-O-Si-Ta, expected Na12Ta6Ga(SiO4)12 to be Na6Ta3Ga(SiO4)6" +mp-2716114,Na6Ta2Ga6Si5S7O48,-7.0111550914,-2.3713972467,0.0933154793,0.0933154793,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Ga-Na-O-S-Si-Ta,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Ga-Na-O-S-Si-Ta +mp-2713458,Na10Ta7Ga(SiO4)12,-8.2216806163,-3.0703643744,0.016879894,0.016879894,GGA,P1,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:Ga-Na-O-Si-Ta,234.0,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:Ga-Na-O-Si-Ta +mp-2713580,Na2Ga2Si(SO6)2,-6.526097191,-2.2229537736,0.0936075755,0.0936075755,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:Ga-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:Ga-Na-O-S-Si, expected Na6Ga6Si3(S5O36)2 to be Na2Ga2Si(SO6)2" +mp-2713789,Na6Ga8Si3(S3O16)3,-6.5190548943,-2.1527713677,0.0842064484,0.0842064484,GGA,P1,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:Ga-Na-O-S-Si,222.0,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:Ga-Na-O-S-Si +mp-2713922,Ta3GaSi3(SO8)3,-8.1339448964,-2.6631430825,0.0351927631,0.0351927631,GGA,P1,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:Ga-O-S-Si-Ta,102.0,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:Ga-O-S-Si-Ta +mp-2714573,Na2Ga4SiS5O24,-6.5196987649,-2.0867673451,0.0625477183,0.0625477183,GGA,P1,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:Ga-Na-O-S-Si,108.0,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:Ga-Na-O-S-Si +mp-2715681,Ta2Si2SO12,-8.7172205428,-2.9488143239,0.0,-0.0501560233,GGA,Cc,A12BC2D2_mC68_9_12a_a_2a_2a:O-S-Si-Ta,102.0,"Invalid WP multiplicities - A12BC2D2_mC68_9_60a_a_7a_6a:O-S-Si-Ta, expected Ta6Si7SO60 to be Ta2Si2SO12" +mp-2713555,Na4TaGa3Si3(SO8)3,-7.0005332503,-2.4311122073,0.1071910277,0.1071910277,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Ga-Na-O-S-Si-Ta,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Ga-Na-O-S-Si-Ta +mp-2714846,Na14Ta2Ga6Si9(SO16)3,-6.9593565868,-2.5803595684,0.109084073,0.109084073,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Ga-Na-O-S-Si-Ta,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Ga-Na-O-S-Si-Ta +mp-2712663,Na2TaGa3Si2(SO6)4,-7.0293358781,-2.3153336314,0.0717002238,0.0717002238,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ga-Na-O-S-Si-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ga-Na-O-S-Si-Ta +mp-1221434,Na2(TaS2)3,-7.2057711205,-1.4751272406,0.0,-0.1259100157,GGA,R32,A2B6C3_hR66_155_2c_2f_ace:Na-S-Ta,22.0,"Invalid WP multiplicities - A2B6C3_hR66_155_3c_2f_ace:Na-S-Ta, expected NaTaS2 to be Na2(TaS2)3" +mp-2712822,Na14Ta5Ga3(SiO4)12,-7.6578000455,-2.9086121818,0.0372764551,0.0372764551,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Ga-Na-O-Si-Ta,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Ga-Na-O-Si-Ta +mp-2713385,Na2Ta4Si5SO24,-8.6298247128,-3.0726099852,0.0166065089,0.0166065089,GGA,P1,A2B24CD5E4_aP108_1_6a_72a_3a_15a_12a:Na-O-S-Si-Ta,108.0,A2B24CD5E4_aP108_1_6a_72a_3a_15a_12a:Na-O-S-Si-Ta +mp-2714087,Na2Ga8SiS11O48,-6.5124848357000005,-2.0090970718,0.0419023031,0.0419023031,GGA,P1,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:Ga-Na-O-S-Si,210.0,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:Ga-Na-O-S-Si +mp-2714358,Na6TaGa3Si4(SO12)2,-6.9737536091,-2.5344556495,0.1172208399,0.1172208399,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Ga-Na-O-S-Si-Ta,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Ga-Na-O-S-Si-Ta +mp-2715042,Na4Ta3GaSi5SO24,-8.0041296366,-2.9021533425,0.0619715613,0.0619715613,GGA,P1,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:Ga-Na-O-S-Si-Ta,114.0,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:Ga-Na-O-S-Si-Ta +mp-2713344,TaGaSi(SO6)2,-7.5692477861,-2.3960503772,0.05180699,0.05180699,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:Ga-O-S-Si-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:Ga-O-S-Si-Ta, expected TaGaSiS3O20 to be TaGaSi(SO6)2" +mp-2713793,Na6Ta2Ga2Si5SO24,-7.4495189542,-2.7572572504,0.0823048433,0.0823048433,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ga-Na-O-S-Si-Ta,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ga-Na-O-S-Si-Ta +mp-2715776,Na2Ta6Ga2Si7S5O48,-8.1144907998,-2.7437987698,0.0395440699,0.0395440699,GGA,P1,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:Ga-Na-O-S-Si-Ta,210.0,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:Ga-Na-O-S-Si-Ta +mp-2714822,Na6Ta3Ga5Si6(SO8)6,-7.2649947994,-2.4884997955,0.0900803854,0.0900803854,GGA,P1,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:Ga-Na-O-S-Si-Ta,222.0,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:Ga-Na-O-S-Si-Ta +mp-2715649,Na2Ta3GaSi4(SO12)2,-8.0840909356,-2.8079470349,0.0472085795,0.0472085795,GGA,P1,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:Ga-Na-O-S-Si-Ta,108.0,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:Ga-Na-O-S-Si-Ta +mp-2716464,Na2Ta2Ga6Si3(S3O16)3,-7.0337855631,-2.2412963772,0.0542137549,0.0542137549,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Ga-Na-O-S-Si-Ta,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Ga-Na-O-S-Si-Ta +mp-2712966,Na6Ta4Ga4Si7S5O48,-7.526159816,-2.6129276531,0.0795199827,0.0795199827,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ga-Na-O-S-Si-Ta,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ga-Na-O-S-Si-Ta +mp-2715069,Na10Ga8Si5S7O48,-6.513427189,-2.2701859265,0.1218777488,0.1218777488,GGA,P1,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:Ga-Na-O-S-Si,234.0,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:Ga-Na-O-S-Si +mp-2712858,TaGa3SiS5O24,-7.0256149432,-2.1500219394,0.0473569495,0.0473569495,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Ga-O-S-Si-Ta,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Ga-O-S-Si-Ta +mp-1202226,Na3TaS4,-5.4392023869,-1.3928082646,0.0,-0.1134572349,GGA,Fdd2,A3B4C_oF256_43_2a5b_8b_2b:Na-S-Ta,64.0,A3B4C_oF256_43_2a5b_8b_2b:Na-S-Ta +mp-2715795,Na14Ga8Si7S5O48,-6.5083760043000005,-2.3761728827,0.1299677302,0.1299677302,GGA,P1,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:Ga-Na-O-S-Si,246.0,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:Ga-Na-O-S-Si +mp-2714103,Na10Ta4Ga4Si9(SO16)3,-7.4600466119,-2.6979053612,0.1067703831,0.1067703831,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ga-Na-O-S-Si-Ta,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ga-Na-O-S-Si-Ta +mp-2716196,Na6Ga4Si3(SO8)3,-6.5147550212,-2.3284208059,0.1353700793,0.1353700793,GGA,P1,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:Ga-Na-O-S-Si,120.0,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:Ga-Na-O-S-Si +mp-2715663,Na8TaGa3Si5SO24,-6.9545794733,-2.6330119225,0.0803545391,0.0803545391,GGA,P1,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Ga-Na-O-S-Si-Ta,126.0,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Ga-Na-O-S-Si-Ta +mp-2714392,Na4Ga2Si2SO12,-6.5053204733,-2.4246707743,0.1218029125,0.1218029125,GGA,Cc,A2B4C12DE2_mC84_9_2a_4a_12a_a_2a:Ga-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12DE2_mC84_9_6a_19a_72a_a_12a:Ga-Na-O-S-Si, expected Na19Ga6Si12SO72 to be Na4Ga2Si2SO12" +mp-2712621,Na2TaGaSi2SO12,-7.4782660082,-2.6425673398,0.1174777812,0.1174777812,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:Ga-Na-O-S-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:Ga-Na-O-S-Si-Ta, expected Na2TaGaSi12SO72 to be Na2TaGaSi2SO12" +mp-2716450,Na10TaGa7Si6(SO8)6,-6.756190598,-2.3832243385,0.1168674351,0.1168674351,GGA,P1,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:Ga-Na-O-S-Si-Ta,234.0,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:Ga-Na-O-S-Si-Ta +mp-2713120,Na6Ta6Ga2Si9(SO16)3,-8.0396900126,-2.8529835316,0.0671990141,0.0671990141,GGA,P1,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:Ga-Na-O-S-Si-Ta,222.0,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:Ga-Na-O-S-Si-Ta +mp-2713370,Na2Ta2Ga2Si3(SO8)3,-7.5313402982,-2.5362672246,0.0848275103,0.0848275103,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ga-Na-O-S-Si-Ta,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ga-Na-O-S-Si-Ta +mp-2716479,Na10Ta6Ga2Si11SO48,-7.9671605451,-2.9455693003,0.0518096278,0.0518096278,GGA,P1,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:Ga-Na-O-S-Si-Ta,234.0,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:Ga-Na-O-S-Si-Ta +mp-2714209,Na2Ta8Si9(SO16)3,-8.672079726,-3.012286274,0.0091324605,0.0091324605,GGA,P1,A2B48C3D9E8_aP210_1_6a_144a_9a_27a_24a:Na-O-S-Si-Ta,210.0,A2B48C3D9E8_aP210_1_6a_144a_9a_27a_24a:Na-O-S-Si-Ta +mp-2714440,Na14Ta4Ga4Si11SO48,-7.4249024343,-2.799111519,0.0612954527,0.0612954527,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ga-Na-O-S-Si-Ta,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ga-Na-O-S-Si-Ta +mp-2715244,Na6CaSi2Ge3(PO6)4,-6.9433697329,-2.5675144739,0.1065971664,0.1065971664,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ca-Ge-Na-O-P-Si,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ca-Ge-Na-O-P-Si +mp-2715304,Na6CaSi2Ge3(PO6)4,-6.9445804376,-2.5687251786000003,0.1053864617,0.1053864617,GGA,P1,AB3C6D24E4F2_aP40_1_a_3a_6a_24a_4a_2a:Ca-Ge-Na-O-P-Si,80.0,"Invalid WP multiplicities - AB3C6D24E4F2_aP40_1_a_6a_12a_48a_8a_4a:Ca-Ge-Na-O-P-Si, expected Na12CaSi4Ge6(PO6)8 to be Na6CaSi2Ge3(PO6)4" +mp-2714587,Na4CaSiGe(PO6)2,-6.7725900333,-2.6044511529000003,0.1450644685,0.1450644685,GGA,Cc,ABC4D12E2F_mC252_9_3a_3a_12a_36a_6a_3a:Ca-Ge-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12E2F_mC252_9_3a_3a_18a_60a_9a_3a:Ca-Ge-Na-O-P-Si, expected Na6CaSiGeP3O20 to be Na4CaSiGe(PO6)2" +mp-2713405,Na10Ca3Ge5(PO4)12,-6.9865576294,-2.566584808,0.0884523355,0.0884523355,GGA,P1,A3B5C10D48E12_aP234_1_9a_15a_30a_144a_36a:Ca-Ge-Na-O-P,234.0,A3B5C10D48E12_aP234_1_9a_15a_30a_144a_36a:Ca-Ge-Na-O-P +mp-17817,Ca3(GeP2)2,-4.8940471561,-0.7922621143,0.0,-0.0340248572,GGA,P2_1/c,A3B2C4_mP36_14_3e_2e_4e:Ca-Ge-P,36.0,"Invalid WP multiplicities - A3B2C4_mP36_14_6e_3e_8e:Ca-Ge-P, expected Ca6Ge3P8 to be Ca3(GeP2)2" +mp-2716143,Na8CaSi4Ge3(PO12)2,-6.8254950944,-2.5944643326,0.0988532688,0.0988532688,GGA,P1,AB3C8D24E2F4_aP126_1_3a_9a_24a_72a_6a_12a:Ca-Ge-Na-O-P-Si,126.0,AB3C8D24E2F4_aP126_1_3a_9a_24a_72a_6a_12a:Ca-Ge-Na-O-P-Si +mp-2715653,Na7Ca2SiGe2P5O24,-6.8360675928,-2.5988165645,0.1415885184,0.1415885184,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Ge-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Ge-Na-O-P-Si +mp-1191974,CaGe(PO4)2,-7.5188123567,-2.7664171535,0.0026272253,0.0026272253,GGA,C2/c,ABC8D2_mC48_15_e_c_4f_f:Ca-Ge-O-P,24.0,ABC8D2_mC48_15_e_a_4f_f:Ca-Ge-O-P +mp-2715394,Na3CaGe(PO4)3,-6.9085787302,-2.5987599467,0.1088674162,0.1088674162,GGA,Cc,ABC3D12E3_mC80_9_a_a_3a_12a_3a:Ca-Ge-Na-O-P,80.0,"Invalid WP multiplicities - ABC3D12E3_mC80_9_a_a_3a_30a_6a:Ca-Ge-Na-O-P, expected Na3CaGe(PO5)6 to be Na3CaGe(PO4)3" +mp-2715483,Na3CaGe(PO4)3,-6.9066764446,-2.5968576611,0.1107697019,0.1107697019,GGA,Cc,ABC3D12E3_mC240_9_3a_3a_9a_36a_9a:Ca-Ge-Na-O-P,120.0,"Invalid WP multiplicities - ABC3D12E3_mC240_9_3a_3a_14a_72a_18a:Ca-Ge-Na-O-P, expected Na14Ca3Ge3(PO4)18 to be Na3CaGe(PO4)3" +mp-2713698,Na4CaGe3(PO4)6,-7.0698363387,-2.5339118985,0.0657671192,0.0657671192,GGA,P1,AB3C4D24E6_aP114_1_3a_9a_12a_72a_18a:Ca-Ge-Na-O-P,114.0,AB3C4D24E6_aP114_1_3a_9a_12a_72a_18a:Ca-Ge-Na-O-P +mp-2714108,Na14Ca5Ge3(PO4)12,-6.8760916215000005,-2.6710535082,0.0865986976,0.0865986976,GGA,P1,A5B3C14D48E12_aP246_1_15a_9a_42a_144a_36a:Ca-Ge-Na-O-P,246.0,A5B3C14D48E12_aP246_1_15a_9a_42a_144a_36a:Ca-Ge-Na-O-P +mp-2716026,Na5CaSiGe3P5O24,-7.0067715044,-2.5529338238,0.0849157696,0.0849157696,GGA,P1,AB3C5D24E5F_aP117_1_3a_9a_15a_72a_15a_3a:Ca-Ge-Na-O-P-Si,117.0,AB3C5D24E5F_aP117_1_3a_9a_15a_72a_15a_3a:Ca-Ge-Na-O-P-Si +mp-2715043,Na8Ca3Ge(PO4)6,-6.8453814612,-2.7401344623,0.057368296,0.057368296,GGA,P3,A3BC8D24E6_hP126_143_2a3b4c_2ab_2a2b2c6d_24d_6d:Ca-Ge-Na-O-P,126.0,A3BC8D24E6_hP126_143_2a3b4c_2ab_2a2b2c6d_24d_6d:Ca-Ge-Na-O-P +mp-2715030,Na7CaSi3Ge3(PO8)3,-6.8788750133,-2.5771981553,0.1175333858,0.1175333858,GGA,P1,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Ge-Na-O-P-Si,123.0,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Ge-Na-O-P-Si +mp-2714725,Na6CaGe7(PO4)12,-7.1579875714,-2.4998438573,0.0414847034,0.0414847034,GGA,P1,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ca-Ge-Na-O-P,222.0,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ca-Ge-Na-O-P +mp-1227818,BaSr11Al4(O4F)4,-6.8181465347,-3.4215176043,0.0077688384,0.0077688384,GGA,P422,A4BC4D16E11_tP36_89_ef_a_gh_2p_bcdp:Al-Ba-F-O-Sr,36.0,"Invalid WP multiplicities - A4BC4D16E11_tP36_89_2e2f_a_2gh_16p_bcdp:Al-Ba-F-O-Sr, expected BaSr11Al8(O64F3)2 to be BaSr11Al4(O4F)4" +mp-14722,NaSrAlF6,-5.8544053128,-3.8292421592,0.0,-0.0033674684,GGA,Pna2_1,AB6CD_oP72_33_2a_12a_2a_2a:Al-F-Na-Sr,72.0,"Invalid WP multiplicities - AB6CD_oP72_33_2a_15a_2a_2a:Al-F-Na-Sr, expected Na2Sr2Al2F15 to be NaSrAlF6" +mp-15515,BaNaAlF6,-5.8822816869,-3.8316205905,0.0,-0.008886662,GGA,Pna2_1,ABC6D_oP72_33_2a_2a_12a_2a:Al-Ba-F-Na,72.0,"Invalid WP multiplicities - ABC6D_oP72_33_3a_2a_17a_3a:Al-Ba-F-Na, expected Ba2Na3Al3F17 to be BaNaAlF6" +mp-1227953,BaNa2Sr6Al6(OF16)2,-6.0231855933,-3.8143050706,0.0715749374,0.0715749374,GGA,Cm,A6BC32D2E2F6_mC98_8_2a2b_a_4a14b_2a_2a_2a2b:Al-Ba-F-Na-O-Sr,49.0,A6BC32D2E2F6_mC98_8_2a2b_a_4a14b_2a_2a_2a2b:Al-Ba-F-Na-O-Sr +mp-667386,Na3Sr4Al5F26,-5.9580284082,-3.8750841451,0.0001803472,0.0001803472,GGA,P4_2/n,A5B26C3D4_tP152_86_c2g_13g_def_2g:Al-F-Na-Sr,152.0,"Invalid WP multiplicities - A5B26C3D4_tP152_86_3c11g_98g_2d3e4f_12g:Al-F-Na-Sr, expected Na9Sr24Al25F196 to be Na3Sr4Al5F26" +mp-555865,Na2Sr7Al6F34,-6.0568689533,-3.9765578383,0.0011793751,0.0011793751,GGA,C2/m,A6B34C2D7_mC98_12_ij_3i7j_ac_bij:Al-F-Na-Sr,49.0,"Invalid WP multiplicities - A6B34C2D7_mC98_12_2i3j_4i26j_ac_bi2j:Al-F-Na-Sr, expected Na2Sr11Al16F112 to be Na2Sr7Al6F34" +mp-1228149,Ba3Sr9Al4(O4F)4,-6.8317425056,-3.4223646036,0.0,-0.0092780376,GGA,P422,A4B3C4D16E9_tP36_89_ef_abc_gh_2p_dp:Al-Ba-F-O-Sr,36.0,"Invalid WP multiplicities - A4B3C4D16E9_tP36_89_2e2f_abc_2g2h_16p_dp:Al-Ba-F-O-Sr, expected Ba3Sr9Al8(O16F)8 to be Ba3Sr9Al4(O4F)4" +mp-1204071,Ba2Na2SrAl4F20,-6.0079735512,-3.8912709102,0.0,-0.0011686281,GGA,P2_1/c,A4B2C20D2E_mP58_14_2e_e_10e_e_a:Al-Ba-F-Na-Sr,58.0,A4B2C20D2E_mP58_14_2e_e_10e_e_a:Al-Ba-F-Na-Sr +mp-1038346,CaMg30AlO32,-6.3272967806,-3.0139590311,0.0455997541,0.0455997541,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-Ca-Mg-O, expected CaMg90AlO80 to be CaMg30AlO32" +mp-1038319,CaMg30AlO32,-6.3251864103,-3.0118486608,0.0477101244,0.0477101244,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-Ca-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-Ca-Mg-O, expected CaMg110AlO72 to be CaMg30AlO32" +mp-1214260,Ca2MgAl2Si3O14,-7.3973099936,-2.9140269247,0.1950832651,0.1950832651,GGA,C2/m,A2B2CD14E3_mC88_12_j_2i_e_8i3j_3i:Al-Ca-Mg-O-Si,44.0,A2B2CD14E3_mC88_12_j_2i_e_8i3j_3i:Al-Ca-Mg-O-Si +mp-1227598,Ca4MgAl2Si3O14,-7.6862754629,-3.409465993,0.0261494648,0.0261494648,GGA,P1,A2B4CD14E3_aP24_1_2a_4a_a_14a_3a:Al-Ca-Mg-O-Si,24.0,A2B4CD14E3_aP24_1_2a_4a_a_14a_3a:Al-Ca-Mg-O-Si +mp-1033062,CaMg6AlO8,-6.2887832394,-2.8558853831,0.2202288594,0.2202288594,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-Ca-Mg-O, expected CaMg6AlO12 to be CaMg6AlO8" +mp-1033075,CaMg6AlO8,-6.27475226,-2.8418544037,0.2342598388,0.2342598388,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-Ca-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-Ca-Mg-O, expected CaMg6AlO12 to be CaMg6AlO8" +mp-699405,Ca6Mg5Al2Si11O36,-7.7799238155,-3.3584997634,0.0086399381,0.0086399381,GGA,P1,A2B6C5D36E11_aP60_1_2a_6a_5a_36a_11a:Al-Ca-Mg-O-Si,60.0,A2B6C5D36E11_aP60_1_2a_6a_5a_36a_11a:Al-Ca-Mg-O-Si +mp-1036557,Mg14TiAlO16,-6.4581563287,-2.920906081,0.1208607111,0.1208607111,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-Ti, expected Mg18TiAlO20 to be Mg14TiAlO16" +mp-1036531,Mg14TiAlO16,-6.4536626062,-2.9164123585,0.1253544336,0.1253544336,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-Ti, expected Mg30TiAlO32 to be Mg14TiAlO16" +mp-677026,Ca10Mg7Al6Si17O60,-7.7932789465,-3.3656475134,0.0170863088,0.0170863088,GGA,P1,A6B10C7D60E17_aP100_1_6a_10a_7a_60a_17a:Al-Ca-Mg-O-Si,100.0,A6B10C7D60E17_aP100_1_6a_10a_7a_60a_17a:Al-Ca-Mg-O-Si +mp-1227888,Ca3Mg9Al8(SiO4)12,-7.7133634556,-3.3017534403,0.0393437917,0.0393437917,GGA,C2,A8B3C9D48E12_mC160_5_4c_ac_a2b3c_24c_2a2b4c:Al-Ca-Mg-O-Si,80.0,"Invalid WP multiplicities - A8B3C9D48E12_mC160_5_6c_ac_a2b3c_36c_2a2b4c:Al-Ca-Mg-O-Si, expected CaMg3Al4(SiO6)4 to be Ca3Mg9Al8(SiO4)12" +mp-1227133,CaMg2Al4SiO12,-7.3794749795,-3.1307726863,0.1207156853,0.1207156853,GGA,P1,A4BC2D12E_aP20_1_4a_a_2a_12a_a:Al-Ca-Mg-O-Si,20.0,A4BC2D12E_aP20_1_4a_a_2a_12a_a:Al-Ca-Mg-O-Si +mp-2229104,MgTi2Al4O10,-8.0421765629,-3.2280321797,0.1415487471,0.1415487471,GGA,Cm,A4BC10D2_mC34_8_4a_a_10a_2a:Al-Mg-O-Ti,17.0,A4BC10D2_mC34_8_4a_a_10a_2a:Al-Mg-O-Ti +mp-2229744,MgTi2Al4O10,-8.0126241912,-3.1984798079,0.1711011188,0.1711011188,GGA,Cm,A4BC10D2_mC34_8_4a_a_10a_2a:Al-Mg-O-Ti,17.0,A4BC10D2_mC34_8_4a_a_10a_2a:Al-Mg-O-Ti +mp-2229469,MgTi2Al4O10,-8.0189876659,-3.2048432826,0.1647376441,0.1647376441,GGA,C2/m,A4BC10D2_mC34_12_2i_a_5i_i:Al-Mg-O-Ti,17.0,A4BC10D2_mC34_12_2i_a_5i_i:Al-Mg-O-Ti +mp-2224242,MgTi2Al4O10,-7.9918641582,-3.177719775,0.1918611518,0.1918611518,GGA,Amm2,A4BC10D2_oC34_38_2c_a_ab4c_ab:Al-Mg-O-Ti,17.0,"Invalid WP multiplicities - A4BC10D2_oC34_38_4c_a_ab7c_ab:Al-Mg-O-Ti, expected MgTi2Al8O16 to be MgTi2Al4O10" +mp-534863,CaMg2TiAl2SiO10,-7.8225813282,-3.382286693,0.0144241101,0.0144241101,GGA,P1,A2BC2D10EF_aP68_1_8a_4a_8a_40a_4a_4a:Al-Ca-Mg-O-Si-Ti,68.0,A2BC2D10EF_aP68_1_8a_4a_8a_40a_4a_4a:Al-Ca-Mg-O-Si-Ti +mp-1036688,CaMg14AlO16,-6.31602895,-2.9628378316,0.1022394394,0.1022394394,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-Ca-Mg-O, expected CaMg18AlO20 to be CaMg14AlO16" +mp-1036644,CaMg14AlO16,-6.3117136634,-2.958522545,0.106554726,0.106554726,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-Ca-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-Ca-Mg-O, expected CaMg30AlO32 to be CaMg14AlO16" +mp-1227468,Ca2MgAl2(SiO4)3,-7.8190289495,-3.3820864448,0.0236836074,0.0236836074,GGA,P1,A2B2CD12E3_aP20_1_2a_2a_a_12a_3a:Al-Ca-Mg-O-Si,20.0,A2B2CD12E3_aP20_1_2a_2a_a_12a_3a:Al-Ca-Mg-O-Si +mp-677029,Ca2MgAl2(SiO4)3,-7.8283868565,-3.3914443518,0.0143257004,0.0143257004,GGA,P-1,A2B2CD12E3_aP40_2_2i_2i_i_12i_3i:Al-Ca-Mg-O-Si,40.0,"Invalid WP multiplicities - A2B2CD12E3_aP40_2_3i_2i_i_22i_4i:Al-Ca-Mg-O-Si, expected Ca2MgAl3(Si2O11)2 to be Ca2MgAl2(SiO4)3" +mp-1227128,CaMg2Al6O12,-7.4652472505,-3.320491084,0.0814976148,0.0814976148,GGA,P-6,A6BC2D12_hP21_174_jk_a_cf_2j2k:Al-Ca-Mg-O,21.0,A6BC2D12_hP21_174_jk_a_cf_2j2k:Al-Ca-Mg-O +mp-744914,Ca8MgAl6Si5O28,-7.3427998058,-3.056291303,0.3940595125,0.3940595125,GGA,P1,A6B8CD28E5_aP48_1_6a_8a_a_28a_5a:Al-Ca-Mg-O-Si,48.0,A6B8CD28E5_aP48_1_6a_8a_a_28a_5a:Al-Ca-Mg-O-Si +mp-1038238,Mg30TiAlO32,-6.3909325341,-2.9855652199,0.0623383259,0.0623383259,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-Ti, expected Mg110TiAlO72 to be Mg30TiAlO32" +mp-1038237,Mg30TiAlO32,-6.3939351069,-2.9885677927,0.0593357531,0.0593357531,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-Ti, expected Mg90TiAlO80 to be Mg30TiAlO32" +mp-1033070,Mg6TiAlO8,-6.5618454681,-2.7608293533,0.2686639316,0.2686639316,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-Ti, expected Mg6TiAlO12 to be Mg6TiAlO8" +mp-1033087,Mg6TiAlO8,-6.5722514737,-2.7712353590000003,0.258257926,0.258257926,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-Ti,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-Ti, expected Mg6TiAlO12 to be Mg6TiAlO8" +mp-534850,NaCa9Ti9Nb(SiO5)10,-8.4551745005,-3.4286585847,0.0010824761,0.0010824761,GGA,P1,A9BCD50E10F9_aP80_1_9a_a_a_50a_10a_9a:Ca-Na-Nb-O-Si-Ti,80.0,A9BCD50E10F9_aP80_1_9a_a_a_50a_10a_9a:Ca-Na-Nb-O-Si-Ti +mp-2712886,Na7Ti3Nb(SiO4)6,-7.7508280554,-3.0113671921,0.0291629577,0.0291629577,GGA,P1,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Ti,123.0,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Ti +mp-2713142,Na15CaNb11(SiO4)18,-7.997136431699999,-2.9819642396,0.0396092224,0.0396092224,GGA,P1,AB15C11D72E18_aP117_1_a_15a_11a_72a_18a:Ca-Na-Nb-O-Si,117.0,AB15C11D72E18_aP117_1_a_15a_11a_72a_18a:Ca-Na-Nb-O-Si +mp-2714432,Na2Nb2(SiO4)3,-8.205268562,-3.021906494,0.0241525527,0.0241525527,GGA,C2/c,A2B2C12D3_mC76_15_ce_f_6f_ef:Na-Nb-O-Si,114.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_ae_f_72f_6e7f:Na-Nb-O-Si, expected NaNb(Si5O36)2 to be Na2Nb2(SiO4)3" +mp-2715237,Na3TiNb(SiO4)3,-7.8937041243,-3.0136745461,0.028606421,0.028606421,GGA,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Na-Nb-O-Si-Ti,80.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_3a_a_30a_6a_a:Na-Nb-O-Si-Ti, expected Na3TiNb(SiO5)6 to be Na3TiNb(SiO4)3" +mp-2715478,Na3TiNb(SiO4)3,-7.8950286787,-3.0149991006,0.0272818666,0.0272818666,GGA,Cc,A3BC12D3E_mC240_9_9a_3a_36a_9a_3a:Na-Nb-O-Si-Ti,120.0,"Invalid WP multiplicities - A3BC12D3E_mC240_9_14a_3a_72a_18a_3a:Na-Nb-O-Si-Ti, expected Na14Ti3Nb3(SiO4)18 to be Na3TiNb(SiO4)3" +mp-720204,NaCa4Ti4Nb(SiO5)5,-8.4254603376,-3.3799101913,0.0025750961,0.0025750961,GGA,P1,A4BCD25E5F4_aP80_1_8a_2a_2a_50a_10a_8a:Ca-Na-Nb-O-Si-Ti,80.0,A4BCD25E5F4_aP80_1_8a_2a_2a_50a_10a_8a:Ca-Na-Nb-O-Si-Ti +mp-2716498,Na12Ca2Nb4(SiO4)9,-7.4465583671,-2.8879015526,0.06503234,0.06503234,GGA,P3c1,A2B12C4D36E9_hP126_158_ab_abc3d_ab2c_12d_3d:Ca-Na-Nb-O-Si,126.0,A2B12C4D36E9_hP126_158_ab_abc3d_ab2c_12d_3d:Ca-Na-Nb-O-Si +mp-2715274,Na9CaNb5(SiO4)9,-7.8091838894,-2.9537920795,0.0445200771,0.0445200771,GGA,P1,AB9C5D36E9_aP360_1_6a_54a_30a_216a_54a:Ca-Na-Nb-O-Si,360.0,AB9C5D36E9_aP360_1_6a_54a_30a_216a_54a:Ca-Na-Nb-O-Si +mp-2715290,Na9CaNb5(SiO4)9,-7.8077932502,-2.9524014403,0.0459107163,0.0459107163,GGA,P1,AB9C5D36E9_aP120_1_2a_18a_10a_72a_18a:Ca-Na-Nb-O-Si,240.0,"Invalid WP multiplicities - AB9C5D36E9_aP120_1_3a_36a_20a_144a_36a:Ca-Na-Nb-O-Si, expected Na36Ca3Nb20(SiO4)36 to be Na9CaNb5(SiO4)9" +mp-2713212,Na5TiNb3(SiO4)6,-8.0421894655,-3.0143825205,0.0297390495,0.0297390495,GGA,P1,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Ti,117.0,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Ti +mp-1221183,Na8Nb4Si16O53,-7.5630022596,-2.6251625969,0.1755299515,0.1755299515,GGA,P-1,A8B4C53D16_aP81_2_4i_2i_a26i_8i:Na-Nb-O-Si,81.0,"Invalid WP multiplicities - A8B4C53D16_aP81_2_8i_3i_a47i_14i:Na-Nb-O-Si, expected Na16Nb6Si28O95 to be Na8Nb4Si16O53" +mp-2712957,Na7CaNb3(SiO4)6,-7.6202591417,-2.9168535489,0.0593320001,0.0593320001,GGA,P3,AB7C3D24E6_hP123_143_2ab_2a2b2c5d_2a3b4c_24d_6d:Ca-Na-Nb-O-Si,123.0,AB7C3D24E6_hP123_143_2ab_2a2b2c5d_2a3b4c_24d_6d:Ca-Na-Nb-O-Si +mp-1179892,Pb2CCl2O3,-6.0629361428,-1.664048757,0.052588395,0.0525479488,GGA,P1,AB2C3D2_aP32_1_4a_8a_12a_8a:C-Cl-O-Pb,32.0,AB2C3D2_aP32_1_4a_8a_12a_8a:C-Cl-O-Pb +mp-504593,Pb2CCl2O3,-6.1155245378,-1.716637152,0.0,-4.04462e-05,GGA,P4/mbm,AB2C3D2_tP32_127_g_eh_gk_k:C-Cl-O-Pb,32.0,AB2C3D2_tP32_127_g_eh_gk_k:C-Cl-O-Pb +mp-562090,CuCClO,-5.91877577,-0.8880013866,0.1196812728,0.1196812728,GGA,Pmn2_1,ABCD_oP8_31_a_a_a_a:C-Cl-Cu-O,8.0,ABCD_oP8_31_a_a_a_a:C-Cl-Cu-O +mp-552056,PbCClO2,-6.524819965,-1.5881746360000002,0.0506866754,0.0506866754,GGA,C2/m,ABC2D_mC20_12_g_i_j_i:C-Cl-O-Pb,10.0,ABC2D_mC20_12_g_i_j_i:C-Cl-O-Pb +mp-1193725,Pb4C(Cl3O2)2,-5.0831345033,-1.4193192648,0.1407058533,0.1407058533,GGA,P2_1/m,AB6C4D4_mP30_11_e_2e2f_2ef_2ef:C-Cl-O-Pb,30.0,AB6C4D4_mP30_11_e_2e2f_2ef_2ef:C-Cl-O-Pb +mp-1201527,Cu4Si4Pb4C4ClO28,-6.9068491333,-1.7908675861,0.1024731743,0.1024731743,GGA,I4/m,A4BC4D28E4F4_tI90_87_h_a_f_3h2i_h_h:C-Cl-Cu-O-Pb-Si,45.0,A4BC4D28E4F4_tI90_87_h_a_f_3h2i_h_h:C-Cl-Cu-O-Pb-Si +mp-1233395,Rb4MgH12(SeO3)8,-5.2631682557,-1.3259651992,0.1487267829,0.1487267829,GGA,P1,A12BC24D4E8_aP49_1_12a_a_24a_4a_8a:H-Mg-O-Rb-Se,49.0,A12BC24D4E8_aP49_1_12a_a_24a_4a_8a:H-Mg-O-Rb-Se +mp-1233254,Rb4MgH12(SeO3)8,-5.3399344633,-1.4027314067,0.0719605754,0.0719605754,GGA,P2,A12BC24D4E8_mP49_3_6e_a_12e_2e_4e:H-Mg-O-Rb-Se,49.0,A12BC24D4E8_mP49_3_6e_a_12e_2e_4e:H-Mg-O-Rb-Se +mp-1234580,Rb4MgH12(SeO3)8,-5.2410802031,-1.3038771465,0.1708148356,0.1708148356,GGA,P2,A12BC24D4E8_mP49_3_6e_a_12e_2e_4e:H-Mg-O-Rb-Se,49.0,A12BC24D4E8_mP49_3_6e_a_12e_2e_4e:H-Mg-O-Rb-Se +mp-1210726,Mg3Fe2H4(Se3O10)2,-6.116400338,-1.6815137711,0.0,-0.0090458419,GGA+U,P-1,A2B4C3D20E6_aP35_2_i_2i_ai_10i_3i:Fe-H-Mg-O-Se,35.0,A2B4C3D20E6_aP35_2_i_2i_ai_10i_3i:Fe-H-Mg-O-Se +mp-1197601,Rb4MgFe8H6(Se8O25)2,-6.1805411111,-1.5110356817,0.0,-0.0285336861,GGA+U,P-1,A8B6CD50E4F16_aP85_2_4i_3i_a_25i_2i_8i:Fe-H-Mg-O-Rb-Se,85.0,A8B6CD50E4F16_aP85_2_4i_3i_a_25i_2i_8i:Fe-H-Mg-O-Rb-Se +mp-780006,Rb2MgH12(SeO7)2,-5.417290311,-1.5295636772,0.0,-0.0083853983,GGA,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-Rb-Se,62.0,"Invalid WP multiplicities - A12BC14D2E2_mP62_14_21e_a_25e_e_e:H-Mg-O-Rb-Se, expected Rb2MgH42(SeO25)2 to be Rb2MgH12(SeO7)2" +mp-1233109,Rb4Mg(Se2O7)2,-5.5117618261,-1.6526442518,0.0932608618,0.0932608618,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se +mp-1233356,Rb4Mg(Se2O7)2,-5.4894318722,-1.6303142979,0.1155908157,0.1155908157,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se +mp-1233953,Rb4Mg(Se2O7)2,-5.5115064117,-1.6523888375,0.0935162761,0.0935162761,GGA,P1,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se,23.0,AB14C4D4_aP23_1_a_14a_4a_4a:Mg-O-Rb-Se +mp-1233611,Rb4Mg(Se2O7)2,-5.4520295161,-1.5929119418000002,0.1529931718,0.1529931718,GGA,C2,AB14C4D4_mC46_5_a_ab6c_2c_2c:Mg-O-Rb-Se,23.0,AB14C4D4_mC46_5_a_ab6c_2c_2c:Mg-O-Rb-Se +mp-1234132,Rb4Mg(Se2O7)2,-5.4555488743,-1.5964313001,0.1494738135,0.1494738135,GGA,C2,AB14C4D4_mC46_5_a_ab6c_2c_2c:Mg-O-Rb-Se,23.0,AB14C4D4_mC46_5_a_ab6c_2c_2c:Mg-O-Rb-Se +mp-22038,RbFe(SeO4)2,-6.095370999,-1.4273803383,0.0010581627,0.0010581627,GGA+U,P321,AB8CD2_hP12_150_a_dg_b_d:Fe-O-Rb-Se,48.0,AB8CD2_hP12_150_a_dg_b_d:Fe-O-Rb-Se +mp-2218548,RbMgFe(SeO4)2,-6.0714005108,-1.6393875894,0.1493356013,0.1493356013,GGA+U,P1,ABC8DE2_aP13_1_a_a_8a_a_2a:Fe-Mg-O-Rb-Se,13.0,ABC8DE2_aP13_1_a_a_8a_a_2a:Fe-Mg-O-Rb-Se +mp-703253,RbFeSe2O7,-6.1598569691,-1.5172024949,0.0,-0.0227179329,GGA+U,R-3m,AB7CD2_hR66_166_c_c2h_ab_2c:Fe-O-Rb-Se,22.0,"Invalid WP multiplicities - AB7CD2_hR66_166_c_2c7h_ab_4c:Fe-O-Rb-Se, expected RbFeSe4O23 to be RbFeSe2O7" +mp-694958,Na2Li5Al7Si29O72,-7.9808232523,-3.1816536365,0.0579313421,0.0579313421,GGA,P1,A7B5C2D72E29_aP115_1_7a_5a_2a_72a_29a:Al-Li-Na-O-Si,115.0,A7B5C2D72E29_aP115_1_7a_5a_2a_72a_29a:Al-Li-Na-O-Si +mp-693857,NaLi2Al3(SiO4)3,-7.4588446011,-3.0772580705,0.1138121322,0.1138121322,GGA,P4mm,A3B2CD12E3_tP84_99_3e_2d_e_2c3d3ef2g_eg:Al-Li-Na-O-Si,84.0,"Invalid WP multiplicities - A3B2CD12E3_tP84_99_3e_2d_e_2c5d3e3f2g_e2g:Al-Li-Na-O-Si, expected NaLi2Al3Si5O16 to be NaLi2Al3(SiO4)3" +mp-43030,Na2Li2Al3Si3ClO12,-7.2382275891,-3.0997763241,0.0055465197,0.0055465197,GGA,P-4,A3BC2D2E12F3_tP46_81_abh_g_h_h_6h_cdh:Al-Cl-Li-Na-O-Si,46.0,"Invalid WP multiplicities - A3BC2D2E12F3_tP46_81_ab2h_g_h_h_10h_cd2h:Al-Cl-Li-Na-O-Si, expected Na2Li2Al5Si5ClO20 to be Na2Li2Al3Si3ClO12" +mp-1020163,Na3Li2Al(SiO4)2,-6.700649337,-2.8284528874,0.0057663198,0.0057663198,GGA,Cmce,AB2C3D8E2_oC128_64_d_g_def_2f3g_ef:Al-Li-Na-O-Si,64.0,AB2C3D8E2_oC128_64_d_g_def_2f3g_ef:Al-Li-Na-O-Si +mp-23648,Li4Al3Si3ClO12,-7.3123994887,-3.1229571304,0.0,-0.0051642011,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-Li-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-Li-O-Si +mp-1221039,NaLiAl4(SiO6)2,-7.3470525533,-2.9258199495,0.1852668373,0.1852668373,GGA,Cc,A4BCD12E2_mC80_9_4a_a_a_12a_2a:Al-Li-Na-O-Si,40.0,A4BCD12E2_mC80_9_4a_a_a_12a_2a:Al-Li-Na-O-Si +mp-1022659,RbMg6Zn,-1.2536367363,0.2266080116,0.2734094336,0.2734094336,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Rb-Zn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Rb-Zn, expected RbMg12Zn to be RbMg6Zn" +mp-1028061,RbMg14Zn,-1.40925859,0.1310038089,0.1676355118,0.1676355118,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Rb-Zn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Rb-Zn, expected RbMg18Zn to be RbMg14Zn" +mp-1027973,RbMg14Zn,-1.3980063094,0.1422560895,0.1788877924,0.1788877924,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Rb-Zn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Rb-Zn, expected RbMg26Zn to be RbMg14Zn" +mp-559795,Rb7NaZn2O6,-3.9767438219,-1.4526261163,0.0,-0.0308125256,GGA,P-1,AB6C7D2_aP32_2_i_6i_7i_2i:Na-O-Rb-Zn,32.0,"Invalid WP multiplicities - AB6C7D2_aP32_2_i_12i_14i_2i:Na-O-Rb-Zn, expected Rb14NaZn2O12 to be Rb7NaZn2O6" +mp-1173467,RbNaMg5(Si2O5)6,-7.7655470964,-3.1980177635,0.0,-0.0053092197,GGA,P-62c,A5BC30DE12_hP98_190_fg_c_2h4i_a_2i:Mg-Na-O-Rb-Si,98.0,A5BC30DE12_hP98_190_fg_c_2h4i_a_2i:Mg-Na-O-Rb-Si +mp-1219802,RbNaMg3Zn2(Si2O5)6,-7.64392394,-3.0902940536,0.0,-0.0052412811,GGA,C2,A3BC30DE12F2_mC196_5_3c_c_30c_ab_12c_abc:Mg-Na-O-Rb-Si-Zn,98.0,"Invalid WP multiplicities - A3BC30DE12F2_mC196_5_4c_c_60c_ab_24c_abc:Mg-Na-O-Rb-Si-Zn, expected RbNaMg4Zn2(Si2O5)12 to be RbNaMg3Zn2(Si2O5)6" +mp-1221527,Na2Mg3Zn2(Si2O5)6,-7.6349844479,-3.0743751488,0.0017648545,0.0017648545,GGA,C2,A3B2C30D12E2_mC196_5_3c_abc_30c_12c_abc:Mg-Na-O-Si-Zn,98.0,"Invalid WP multiplicities - A3B2C30D12E2_mC196_5_4c_abc_60c_24c_abc:Mg-Na-O-Si-Zn, expected NaMg2Zn(Si2O5)6 to be Na2Mg3Zn2(Si2O5)6" +mp-1202299,Na2Mg5Mn11Si12(AsO25)2,-7.9277394539,-2.644994237,0.0752192994,0.0752192994,GGA+U,P-1,A2B5C11D2E50F12_aP82_2_i_b2i_d5i_i_25i_6i:As-Mg-Mn-Na-O-Si,82.0,A2B5C11D2E50F12_aP82_2_i_b2i_d5i_i_25i_6i:As-Mg-Mn-Na-O-Si +mp-1016197,MgSiAs2,-4.3963408387000005,-0.3103821162,0.0,-0.0139537167,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Mg-Si,8.0,A2BC_tI16_122_d_a_b:As-Mg-Si +mp-2716324,Na5Zr2Ta2Si5PO24,-8.2233063928,-3.1288447335,0.0294851594,0.0294851594,GGA,P1,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Zr,117.0,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Zr +mp-2715268,Na3ZrTa(SiO4)3,-8.1295460669,-3.1290824286,0.022037443,0.022037443,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-Si-Ta-Zr,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-Si-Ta-Zr, expected Na14Zr3Ta3(SiO4)18 to be Na3ZrTa(SiO4)3" +mp-2715494,Na3ZrTa(SiO4)3,-8.1291214002,-3.128657762,0.0224621096,0.0224621096,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-Si-Ta-Zr,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-Si-Ta-Zr, expected Na3ZrTa(SiO5)6 to be Na3ZrTa(SiO4)3" +mp-2713972,ZrTa(PO4)3,-8.7684118611,-3.1210206661,0.0,-0.012118197,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Ta-Zr,102.0,"Invalid WP multiplicities - A12B3CD_hR102_161_12b_b_a_a:O-P-Ta-Zr, expected ZrTa(PO12)3 to be ZrTa(PO4)3" +mp-2715568,NaZrTaSi(PO6)2,-8.5433803841,-3.1355919879,0.0277764956,0.0277764956,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-P-Si-Ta-Zr,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-P-Si-Ta-Zr, expected NaZrTaSiP3O20 to be NaZrTaSi(PO6)2" +mp-2715704,NaZr2Ta2SiP5O24,-8.6595945126,-3.1354276141,0.0187498659,0.0187498659,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Zr,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Zr +mp-2715193,Na2ZrTaSi2PO12,-8.3194857903,-3.1260788456,0.0362389938,0.0362389938,GGA,Cc,A2B12CD2EF_mC76_9_2a_12a_a_2a_a_a:Na-O-P-Si-Ta-Zr,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC76_9_2a_72a_a_12a_a_a:Na-O-P-Si-Ta-Zr, expected Na2ZrTaSi12PO72 to be Na2ZrTaSi2PO12" +mp-2712834,Na3Zr2Ta2Si3(PO8)3,-8.4456852152,-3.1479845914,0.01835756,0.01835756,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Zr,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Zr +mp-2712824,Na7Zr3Ta(SiO4)6,-7.9522191554,-3.1221949158,0.0186650536,0.0186650536,GGA,P1,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-Si-Ta-Zr,123.0,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-Si-Ta-Zr +mp-2713728,NaZr3Ta(PO4)6,-8.5712926423,-3.142042673,0.00382803,0.00382803,GGA,P3,AB24C6DE3_hP105_143_a2b_24d_6d_2ac_2a4b3c:Na-O-P-Ta-Zr,105.0,AB24C6DE3_hP105_143_a2b_24d_6d_2ac_2a4b3c:Na-O-P-Ta-Zr +mp-2713527,Na5ZrTa3(SiO4)6,-8.3214447684,-3.1418012495,0.0169354898,0.0169354898,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-Si-Ta-Zr,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-Si-Ta-Zr +mp-2712538,Na2Ti2Si(PO6)2,-7.9671246187,-3.0172181872,0.0265610466,0.0265610466,GGA,Cc,A2B12C2DE2_mC228_9_6a_36a_6a_3a_6a:Na-O-P-Si-Ti,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC228_9_6a_72a_10a_3a_6a:Na-O-P-Si-Ti, expected Na6Ti6Si3(P5O36)2 to be Na2Ti2Si(PO6)2" +mp-560564,Ti6In2Si2P12O49,-8.1674810497,-2.9410819997,0.0,-0.0120416818,GGA,R-3,A2B49C12D2E6_hR213_148_c_a8f_2f_c_3c:In-O-P-Si-Ti,71.0,"Invalid WP multiplicities - A2B49C12D2E6_hR213_148_c_a47f_7f_c_5c:In-O-P-Si-Ti, expected Ti10In2Si2P42O283 to be Ti6In2Si2P12O49" +mp-2716033,Na5Ti2In2SiP5O24,-7.3449135203,-2.7521099922000003,0.0378276614,0.0378276614,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Ti +mp-2714510,Na4In2Si(PO6)2,-6.6478242386,-2.5332691809,0.0311340028,0.0311340028,GGA,Cc,A2B4C12D2E_mC252_9_6a_12a_36a_6a_3a:In-Na-O-P-Si,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC252_9_6a_21a_72a_10a_3a:In-Na-O-P-Si, expected Na21In6Si3(P5O36)2 to be Na4In2Si(PO6)2" +mp-2714745,Na3Ti3In(PO4)6,-7.7863656798,-2.8780932536,0.0163014364,0.0163014364,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Ti,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Ti +mp-2715638,Na7In4SiP5O24,-6.7131567115,-2.5307964284,0.0285585248,0.0285585248,GGA,P1,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:In-Na-O-P-Si,123.0,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:In-Na-O-P-Si +mp-18271,Na5Ti2Si2PO13,-7.4262097213,-2.9490574468,0.0,-0.004464813,GGA,P-1,A5B13CD2E2_aP46_2_5i_13i_i_2i_2i:Na-O-P-Si-Ti,46.0,"Invalid WP multiplicities - A5B13CD2E2_aP46_2_6i_13i_i_4i_2i:Na-O-P-Si-Ti, expected Na6Ti2Si4PO13 to be Na5Ti2Si2PO13" +mp-2716227,Na4TiInSi2PO12,-7.1133928129,-2.7533223357,0.0518004591,0.0518004591,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:In-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:In-Na-O-P-Si-Ti, expected Na19TiInSi12PO72 to be Na4TiInSi2PO12" +mp-2715448,Na3TiInSi(PO6)2,-7.251797318,-2.7404503577,0.062080224,0.062080224,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:In-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:In-Na-O-P-Si-Ti, expected Na3TiInSi(PO15)2 to be Na3TiInSi(PO6)2" +mp-2715332,Na3TiInSi(PO6)2,-7.2591018069,-2.7477548466,0.0547757351,0.0547757351,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:In-Na-O-P-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:In-Na-O-P-Si-Ti, expected Na14Ti3In3Si3(P5O36)2 to be Na3TiInSi(PO6)2" +mp-2714995,Na7Ti2In2Si3(PO8)3,-7.2037562631,-2.7698923795,0.036685218,0.036685218,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Ti,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Ti +mp-2713515,Na5TiIn3(PO4)6,-7.0914318925,-2.6308289749,0.0272535526,0.0272535526,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Ti,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Ti +mp-2714527,Na7Ti4Si5PO24,-7.7028597061,-3.017492222,0.0334740355,0.0334740355,GGA,P1,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Ti,123.0,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Ti +mp-2713273,Na2TiIn(PO4)3,-7.4159445839,-2.7373973003,0.035731938,0.035731938,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:In-Na-O-P-Ti,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:In-Na-O-P-Ti, expected Na2TiIn(PO4)18 to be Na2TiIn(PO4)3" +mp-2714224,Na5Ti4Si3(PO8)3,-7.8737797974,-3.0165750483,0.0365068744,0.0365068744,GGA,P1,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Ti,117.0,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Ti +mp-2712831,Na3Ti4SiP5O24,-8.0655032417,-3.017884226,0.0154928941,0.0154928941,GGA,P1,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Ti,111.0,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Ti +mp-2713654,Na3Ti2Si2PO12,-7.7864253103,-3.0172871595,0.0377624504,0.0377624504,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Ti,120.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_13a_72a_a_12a_6a:Na-O-P-Si-Ti, expected Na13Ti6Si12PO72 to be Na3Ti2Si2PO12" +mp-2713692,Na3Ti2Si2PO12,-7.7947594596,-3.0256213089,0.029428301,0.029428301,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_3a_30a_a_5a_5a:Na-O-P-Si-Ti, expected Na3Ti5Si5PO30 to be Na3Ti2Si2PO12" +mp-6700,Mg3Cr2(SiO4)3,-7.9572934772,-2.9701357915,0.0600258027,0.0600258027,GGA+U,Ia-3d,A2B3C12D3_cI160_230_a_c_h_d:Cr-Mg-O-Si,80.0,A2B3C12D3_cI160_230_a_c_h_d:Cr-Mg-O-Si +mp-1026696,Mg14CrSi,-2.2572236063,0.0854192813,0.1458291395,0.1458291395,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Cr-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Cr-Mg-Si, expected Mg18CrSi to be Mg14CrSi" +mp-1026694,Mg14CrSi,-2.2486834363,0.0939594512,0.1543693095,0.1543693095,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cr-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cr-Mg-Si, expected Mg26CrSi to be Mg14CrSi" +mp-1034870,Mg14CrSiO16,-6.4486850225,-2.8040192231,0.1914281584,0.1914281584,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cr-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cr-Mg-O-Si, expected Mg18CrSiO20 to be Mg14CrSiO16" +mp-1034815,Mg14CrSiO16,-6.4438424125,-2.7991766131,0.1962707684,0.1962707684,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cr-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cr-Mg-O-Si, expected Mg30CrSiO32 to be Mg14CrSiO16" +mp-1157835,MgCr2(SiO4)3,-7.8166205122,-2.4531430892,0.2527568642,0.2527568642,GGA+U,I4_1/acd,A2BC12D3_tI144_142_c_b_3g_ae:Cr-Mg-O-Si,72.0,"Invalid WP multiplicities - A2BC12D3_tI144_142_c_b_37g_4a3e:Cr-Mg-O-Si, expected MgCr2(Si5O74)2 to be MgCr2(SiO4)3" +mp-1030883,Mg6CrSiO8,-6.5714127188,-2.5555655006,0.3812889631,0.3812889631,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Cr-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Cr-Mg-O-Si, expected Mg6CrSiO12 to be Mg6CrSiO8" +mp-1030893,Mg6CrSiO8,-6.5790935556,-2.5632463375,0.3736081262,0.3736081262,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Cr-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Cr-Mg-O-Si, expected Mg6CrSiO12 to be Mg6CrSiO8" +mp-1261423,Mg2Cr2(SiO4)3,-7.9150913841,-2.7496769807,0.1303585664,0.1303585664,GGA+U,I4_1/acd,A2B2C12D3_tI152_142_c_e_3g_ae:Cr-Mg-O-Si,76.0,"Invalid WP multiplicities - A2B2C12D3_tI152_142_c_e_34g_3a4e:Cr-Mg-O-Si, expected Mg2Cr2Si11O136 to be Mg2Cr2(SiO4)3" +mp-1211907,Mg5Cr(Si2O9)2,-7.1600982738,-2.5745226794,0.2065899553,0.2065899553,GGA+U,P1,AB5C18D4_aP56_1_2a_10a_36a_8a:Cr-Mg-O-Si,56.0,AB5C18D4_aP56_1_2a_10a_36a_8a:Cr-Mg-O-Si +mp-1046669,MgCrSiO5,-7.8809666387,-2.7044555005,0.102830695,0.102830695,GGA+U,C2/c,ABC5D_mC32_15_a_e_e2f_e:Cr-Mg-O-Si,16.0,ABC5D_mC32_15_c_e_e2f_e:Cr-Mg-O-Si +mp-1039892,Mg30CrSiO32,-6.3861431295,-2.9270680395,0.0976758009,0.0976758009,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cr-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cr-Mg-O-Si, expected Mg110CrSiO72 to be Mg30CrSiO32" +mp-1039875,Mg30CrSiO32,-6.3806637653,-2.9215886753,0.1031551652,0.1031551652,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cr-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cr-Mg-O-Si, expected Mg90CrSiO80 to be Mg30CrSiO32" +mp-1266557,Mg3Cr2(Si2O7)2,-7.9505714291,-2.9478823349,0.1133058457,0.1133058457,GGA+U,C2/c,A2B3C14D4_mC92_15_ae_ef_7f_2f:Cr-Mg-O-Si,46.0,"Invalid WP multiplicities - A2B3C14D4_mC92_15_ae_2e2f_27f_5f:Cr-Mg-O-Si, expected Mg3CrSi5O27 to be Mg3Cr2(Si2O7)2" +mp-1173694,NaCaMgCr(SiO3)4,-7.6946863153,-2.9125368479,0.2106019904,0.2095558092,GGA+U,C2,ABCDE12F4_mC120_5_ac_bc_ac_bc_18c_6c:Ca-Cr-Mg-Na-O-Si,60.0,"Invalid WP multiplicities - ABCDE12F4_mC120_5_a2c_b2c_a2c_b2c_34c_10c:Ca-Cr-Mg-Na-O-Si, expected Na5Ca5Mg5Cr5(Si5O17)4 to be NaCaMgCr(SiO3)4" +mp-534889,NaCaMgCr(SiO3)4,-7.9003757378,-3.1182262704,0.0049125679,0.0038663867,GGA+U,C2,ABCDE12F4_mC120_5_ac_bc_ac_bc_18c_6c:Ca-Cr-Mg-Na-O-Si,60.0,"Invalid WP multiplicities - ABCDE12F4_mC120_5_a2c_b2c_a2c_b2c_34c_10c:Ca-Cr-Mg-Na-O-Si, expected Na5Ca5Mg5Cr5(Si5O17)4 to be NaCaMgCr(SiO3)4" +mp-1221077,NaCaMgCr(SiO3)4,-7.9052883058,-3.1231388383,0.0,-0.0010461812,GGA+U,C2,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Ca-Cr-Mg-Na-O-Si,40.0,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Ca-Cr-Mg-Na-O-Si +mp-1043526,MgCr(Si2O5)2,-8.2055191534,-3.0541762314,0.0466591497,0.0466591497,GGA+U,P4/ncc,ABC10D4_tP64_130_c_b_f2g_g:Cr-Mg-O-Si,64.0,"Invalid WP multiplicities - ABC10D4_tP64_130_c_b_f5g_g:Cr-Mg-O-Si, expected MgCr(Si2O11)2 to be MgCr(Si2O5)2" +mp-1210737,MgCr(SiO3)2,-8.128051579,-2.9496419942000003,0.050875362,0.050875362,GGA+U,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Cr-Mg-O-Si,40.0,ABC6D2_mP40_14_e_e_6e_2e:Cr-Mg-O-Si +mp-1248580,MgCr(SiO3)2,-8.127852375,-2.9494427902,0.051074566,0.051074566,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cr-Mg-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Cr-Mg-O-Si +mp-1210573,MgCr(SiO3)2,-8.1584784325,-2.9800688478,0.0204485085,0.0204485085,GGA+U,C2/c,ABC6D2_mC40_15_e_e_3f_f:Cr-Mg-O-Si,20.0,ABC6D2_mC40_15_e_e_3f_f:Cr-Mg-O-Si +mp-1041862,MgCr(SiO3)2,-8.1603021955,-2.9818926107,0.0186247455,0.0186247455,GGA+U,Pbca,ABC6D2_oP80_61_c_c_6c_2c:Cr-Mg-O-Si,80.0,"Invalid WP multiplicities - ABC6D2_oP80_61_c_c_41c_8c:Cr-Mg-O-Si, expected MgCrSi8O41 to be MgCr(SiO3)2" +mp-1017354,Mg6CrSi,-2.9224564762,0.1625492488,0.2613766739,0.2613766739,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cr-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cr-Mg-Si, expected Mg12CrSi to be Mg6CrSi" +mp-1017381,Mg6CrSi,-2.9327014087,0.1523043163,0.2511317414,0.2511317414,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cr-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Cr-Mg-Si, expected Mg12CrSi to be Mg6CrSi" +mp-1221259,Na3CaMgCr3(SiO3)8,-7.9747871838,-3.0083953955,0.0014431554,0.0014431554,GGA+U,P2,AB3CD3E24F8_mP40_3_a_abd_c_bcd_12e_4e:Ca-Cr-Mg-Na-O-Si,40.0,"Invalid WP multiplicities - AB3CD3E24F8_mP40_3_a_acd_b_bcd_24e_8e:Ca-Cr-Mg-Na-O-Si, expected Na3CaMgCr3(SiO3)16 to be Na3CaMgCr3(SiO3)8" +mp-2715712,Na4CaTaSi2PO12,-7.3919768945,-2.8787539524,0.1088025562,0.1088025562,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ca-Na-O-P-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Ca-Na-O-P-Si-Ta, expected Na19CaTaSi12PO72 to be Na4CaTaSi2PO12" +mp-2714858,Na7Ca2Ta2Si3(PO8)3,-7.5047619615,-2.9140101871,0.0821368199,0.0821368199,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ca-Na-O-P-Si-Ta,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ca-Na-O-P-Si-Ta +mp-2713075,Na9Ca2Ta10Si9(PO8)9,-8.3707920997,-3.0716851111,0.0250441621,0.0250441621,GGA,P1,A2B9C72D9E9F10_aP111_1_2a_9a_72a_9a_9a_10a:Ca-Na-O-P-Si-Ta,111.0,A2B9C72D9E9F10_aP111_1_2a_9a_72a_9a_9a_10a:Ca-Na-O-P-Si-Ta +mp-2715100,Na6CaTa5Si6(PO12)3,-8.2606144801,-3.0658381802,0.0364484223,0.0364484223,GGA,Cc,AB6C36D3E6F5_mC228_9_a_6a_36a_3a_6a_5a:Ca-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB6C36D3E6F5_mC228_9_a_8a_72a_4a_11a_5a:Ca-Na-O-P-Si-Ta, expected Na8CaTa5Si11(PO18)4 to be Na6CaTa5Si6(PO12)3" +mp-2714341,Na12Ca4Ta2Si3(PO6)6,-7.2419491393,-2.8856821387,0.0599927541,0.0599927541,GGA,P3c1,A4B12C36D6E3F2_hP126_158_ab2c_abc3d_12d_2d_d_ab:Ca-Na-O-P-Si-Ta,126.0,A4B12C36D6E3F2_hP126_158_ab2c_abc3d_12d_2d_d_ab:Ca-Na-O-P-Si-Ta +mp-2714657,Na9Ca5Ta7(PO4)18,-7.9545896457,-2.922731963,0.063476762,0.063476762,GGA,P1,A5B9C72D18E7_aP111_1_5a_9a_72a_18a_7a:Ca-Na-O-P-Ta,111.0,A5B9C72D18E7_aP111_1_5a_9a_72a_18a_7a:Ca-Na-O-P-Ta +mp-2712705,Na6Ca2Ta4Si3(PO6)6,-7.9995979936,-2.9782993133,0.0609554754,0.0609554754,GGA,Cc,A2B6C36D6E3F4_mC228_9_2a_6a_36a_6a_3a_4a:Ca-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - A2B6C36D6E3F4_mC228_9_2a_8a_72a_11a_4a_4a:Ca-Na-O-P-Si-Ta, expected Na8Ca2Ta4Si4P11O72 to be Na6Ca2Ta4Si3(PO6)6" +mp-2715971,Na5Ca2Ta2SiP5O24,-7.6725312627,-2.9147943109,0.0699334028,0.0699334028,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-Si-Ta,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-Si-Ta +mp-2715225,Na3CaTaSi(PO6)2,-7.5573500599,-2.8851930114,0.1093398834,0.1093398834,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ca-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ca-Na-O-P-Si-Ta, expected Na3CaTaSi(PO15)2 to be Na3CaTaSi(PO6)2" +mp-2715432,Na3CaTaSi(PO6)2,-7.563284999,-2.8911279506,0.1034049443,0.1034049443,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ca-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Ca-Na-O-P-Si-Ta, expected Na4CaTaSiP3O20 to be Na3CaTaSi(PO6)2" +mp-2714498,Na21Ca4Ta8Si15(PO24)3,-7.7335078859,-2.9819719762,0.0561851419,0.0561851419,GGA,P1,A4B21C72D3E15F8_aP123_1_4a_21a_72a_3a_15a_8a:Ca-Na-O-P-Si-Ta,123.0,A4B21C72D3E15F8_aP123_1_4a_21a_72a_3a_15a_8a:Ca-Na-O-P-Si-Ta +mp-2715559,Na21Ca8Ta4Si3(P5O24)3,-7.3224653614,-2.8924977222,0.0520921353,0.0520921353,GGA,P1,A8B21C72D15E3F4_aP123_1_8a_21a_72a_15a_3a_4a:Ca-Na-O-P-Si-Ta,123.0,A8B21C72D15E3F4_aP123_1_8a_21a_72a_15a_3a_4a:Ca-Na-O-P-Si-Ta +mp-2713190,Na15Ca7Ta5(PO4)18,-7.5664442513,-2.8932220373,0.0587104931,0.0587104931,GGA,P1,A7B15C72D18E5_aP117_1_7a_15a_72a_18a_5a:Ca-Na-O-P-Ta,117.0,A7B15C72D18E5_aP117_1_7a_15a_72a_18a_5a:Ca-Na-O-P-Ta +mp-2714256,Na15Ca4Ta8Si9(PO8)9,-7.9094876002,-2.9827211728,0.0643071181,0.0643071181,GGA,P1,A4B15C72D9E9F8_aP117_1_4a_15a_72a_9a_9a_8a:Ca-Na-O-P-Si-Ta,117.0,A4B15C72D9E9F8_aP117_1_4a_15a_72a_9a_9a_8a:Ca-Na-O-P-Si-Ta +mp-2715805,Na3Ca2Ta10Si3(P5O24)3,-8.5770237002,-3.0513700731,0.0164303058,0.0164303058,GGA,P1,A2B3C72D15E3F10_aP105_1_2a_3a_72a_15a_3a_10a:Ca-Na-O-P-Si-Ta,105.0,A2B3C72D15E3F10_aP105_1_2a_3a_72a_15a_3a_10a:Ca-Na-O-P-Si-Ta +mp-2715174,Na12Ca5Ta(PO4)9,-7.0684078102,-2.8690967512,0.0276155658,0.0276155658,GGA,P3c1,A5B12C36D9E_hP126_158_a2b2c_abc3d_12d_3d_a:Ca-Na-O-P-Ta,126.0,A5B12C36D9E_hP126_158_a2b2c_abc3d_12d_3d_a:Ca-Na-O-P-Ta +mp-2714004,NaCaTa3(PO4)6,-8.4303274264,-2.9988473643,0.0146484242,0.0146484242,GGA,P3,ABC24D6E3_hP105_143_2ab_2ab_24d_6d_2a3b4c:Ca-Na-O-P-Ta,105.0,ABC24D6E3_hP105_143_2ab_2ab_24d_6d_2a3b4c:Ca-Na-O-P-Ta +mp-2716325,Na15Ca2Ta10Si15(PO24)3,-8.1630557601,-3.0672598572,0.0375963187,0.0375963187,GGA,P1,A2B15C72D3E15F10_aP117_1_2a_15a_72a_3a_15a_10a:Ca-Na-O-P-Si-Ta,117.0,A2B15C72D3E15F10_aP117_1_2a_15a_72a_3a_15a_10a:Ca-Na-O-P-Si-Ta +mp-2713923,Na3Ca2Ta4(PO4)9,-8.1868629033,-2.9607443418,0.0406403664,0.0406403664,GGA,P3c1,A2B3C36D9E4_hP108_158_ab_abc_12d_3d_ab2c:Ca-Na-O-P-Ta,108.0,A2B3C36D9E4_hP108_158_ab_abc_12d_3d_ab2c:Ca-Na-O-P-Ta +mp-2713633,Na2CaTa(PO4)3,-7.7422584488,-2.8944373881,0.0773940895,0.0773940895,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ca-Na-O-P-Ta,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ca-Na-O-P-Ta, expected Na2CaTa(PO4)18 to be Na2CaTa(PO4)3" +mp-2715266,Na9Ca2Ta4Si6(PO12)3,-7.8357938845,-2.9988330974,0.0503096294,0.0503096294,GGA,P1,A2B9C36D3E6F4_aP360_1_12a_54a_216a_18a_36a_24a:Ca-Na-O-P-Si-Ta,360.0,A2B9C36D3E6F4_aP360_1_12a_54a_216a_18a_36a_24a:Ca-Na-O-P-Si-Ta +mp-2715343,Na9Ca2Ta4Si6(PO12)3,-7.813532066,-2.9765712789,0.0725714478,0.0725714478,GGA,P1,A2B9C36D3E6F4_aP120_1_4a_18a_72a_6a_12a_8a:Ca-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - A2B9C36D3E6F4_aP120_1_8a_36a_144a_11a_23a_16a:Ca-Na-O-P-Si-Ta, expected Na36Ca8Ta16Si23P11O144 to be Na9Ca2Ta4Si6(PO12)3" +mp-2715627,Na3CaTa5Si3(PO6)6,-8.4800945294,-3.0708607026,0.0151768662,0.0151768662,GGA,P3c1,AB3C36D6E3F5_hP108_158_a_abc_12d_2d_d_a2b2c:Ca-Na-O-P-Si-Ta,108.0,AB3C36D6E3F5_hP108_158_a_abc_12d_2d_d_a2b2c:Ca-Na-O-P-Si-Ta +mp-2714059,Na7Ca3Ta(PO4)6,-7.2340216649,-2.8844460933,0.029931919,0.029931919,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ca-Na-O-P-Ta,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ca-Na-O-P-Ta +mp-2713072,Na9Ca4Ta8Si3(P5O24)3,-8.0946481135,-2.9737073288,0.0536838689,0.0536838689,GGA,P1,A4B9C72D15E3F8_aP111_1_4a_9a_72a_15a_3a_8a:Ca-Na-O-P-Si-Ta,111.0,A4B9C72D15E3F8_aP111_1_4a_9a_72a_15a_3a_8a:Ca-Na-O-P-Si-Ta +mp-2715382,Na9Ca4Ta2(PO4)9,-7.4091647572,-2.9018114474,0.031115545,0.031115545,GGA,P1,A4B9C36D9E2_aP120_1_8a_18a_72a_18a_4a:Ca-Na-O-P-Ta,240.0,A4B9C36D9E2_aP120_1_16a_36a_144a_36a_8a:Ca-Na-O-P-Ta +mp-2715460,Na9Ca4Ta2(PO4)9,-7.4112569969,-2.9039036871,0.0290233053,0.0290233053,GGA,P1,A4B9C36D9E2_aP360_1_24a_54a_216a_54a_12a:Ca-Na-O-P-Ta,360.0,A4B9C36D9E2_aP360_1_24a_54a_216a_54a_12a:Ca-Na-O-P-Ta +mp-2715898,Na6In4Si5Sn4S7O48,-6.6478972064,-2.2086678623,0.1036777232,0.1036777232,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Sn,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Sn +mp-2716126,Na6In4Si3(SO8)3,-6.4372869846,-2.2785939986,0.1172135677,0.1172135677,GGA,P1,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:In-Na-O-S-Si,120.0,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:In-Na-O-S-Si +mp-2712550,NaInSiSn(SO6)2,-6.6488587524,-2.1409552426,0.0953704918,0.0953704918,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:In-Na-O-S-Si-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:In-Na-O-S-Si-Sn, expected NaInSiSnS3O20 to be NaInSiSn(SO6)2" +mp-2714947,Na10In8Si5S7O48,-6.4451766568,-2.2302853731,0.0974900736,0.0974900736,GGA,P1,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:In-Na-O-S-Si,234.0,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:In-Na-O-S-Si +mp-2714596,Na4In2Si2SO12,-6.4294282987,-2.3751035799,0.0825816706,0.0825816706,GGA,Cc,A2B4C12DE2_mC84_9_2a_4a_12a_a_2a:In-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12DE2_mC84_9_6a_19a_72a_a_12a:In-Na-O-S-Si, expected Na19In6Si12SO72 to be Na4In2Si2SO12" +mp-2713198,Na5In3Si3Sn(SO8)3,-6.5329158333,-2.2692470571,0.1209856293,0.1209856293,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Sn +mp-2714449,Na3InSi2SnSO12,-6.6335972286,-2.3797881322,0.1108802562,0.1108802562,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:In-Na-O-S-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:In-Na-O-S-Si-Sn, expected Na13InSi7SnSO72 to be Na3InSi2SnSO12" +mp-2714337,Na14Si11Sn8SO48,-6.849872529,-2.5590440499,0.0387712429,0.0387712429,GGA,P1,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Sn,246.0,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Sn +mp-2714314,Na2In8SiS11O48,-6.4537139626,-1.981916175,0.0348552969,0.0348552969,GGA,P1,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:In-Na-O-S-Si,210.0,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:In-Na-O-S-Si +mp-1190138,Na2In2SiS6,-4.6062546759,-1.116033287,0.0,-0.0307908364,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:In-Na-S-Si,22.0,A2B2C6D_mC44_9_2a_2a_6a_a:In-Na-S-Si +mp-2713485,Na2Si3Sn4(SO8)3,-6.8641681292,-2.2505800523,0.0885697346,0.0885697346,GGA,P1,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Sn,108.0,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Sn +mp-2716039,Na10In4Si7Sn4S5O48,-6.6326341749,-2.3201879062,0.1325020198,0.1325020198,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Sn,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Sn +mp-2713875,Na6Si5Sn4SO24,-6.8511927174,-2.5022675107,0.0693803835,0.0693803835,GGA,P1,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Sn,120.0,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Sn +mp-2716178,Na8In2Si5Sn2SO24,-6.6282156506,-2.48330416,0.056074513,0.056074513,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Sn,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Sn +mp-2713280,Na2In2Si(SO6)2,-6.4549408214,-2.1808934348,0.0752692546,0.0752692546,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:In-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:In-Na-O-S-Si, expected Na6In6Si3(S5O36)2 to be Na2In2Si(SO6)2" +mp-2713837,Na6In8Si3(S3O16)3,-6.4526324941,-2.1162313775,0.0644475946,0.0644475946,GGA,P1,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:In-Na-O-S-Si,222.0,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:In-Na-O-S-Si +mp-2712631,Na2Si2Sn2SO12,-6.8580169992,-2.3837251698,0.1288409245,0.1288409245,GGA,Cc,A2B12CD2E2_mC76_9_2a_12a_a_2a_2a:Na-O-S-Si-Sn,114.0,"Invalid WP multiplicities - A2B12CD2E2_mC76_9_2a_72a_a_12a_6a:Na-O-S-Si-Sn, expected Na2Si12Sn6SO72 to be Na2Si2Sn2SO12" +mp-2713067,In2SiSn2S5O24,-6.6287290913,-1.9713582794,0.0541691755,0.0541691755,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Sn,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Sn +mp-2716373,Na3InSi3Sn3(SO8)3,-6.7484495846,-2.2578061269,0.1203727653,0.1203727653,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Sn,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Sn +mp-2714659,Na14In4Si9Sn4(SO16)3,-6.6295053308,-2.4314730569,0.0841445017,0.0841445017,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Sn,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Sn +mp-2714504,Na2In4SiS5O24,-6.4575851244,-2.0553661816,0.0456355334,0.0456355334,GGA,P1,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:In-Na-O-S-Si,108.0,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:In-Na-O-S-Si +mp-2715669,Na14In8Si7S5O48,-6.4348679639,-2.3296318952,0.1029286828,0.1029286828,GGA,P1,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:In-Na-O-S-Si,246.0,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:In-Na-O-S-Si +mp-2714078,Na10Si9Sn8(SO16)3,-6.855054175,-2.4450529213,0.0978115319,0.0978115319,GGA,P1,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Sn,234.0,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Sn +mp-2712888,Na6Si7Sn8S5O48,-6.8563624731,-2.3143049016,0.1189191203,0.1189191203,GGA,P1,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Sn,222.0,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Sn +mp-2713158,SiSn2(SO6)2,-6.8411803731,-2.071908255,0.0515601463,0.0515601463,GGA,Cc,A12B2CD2_mC204_9_36a_6a_3a_6a:O-S-Si-Sn,102.0,"Invalid WP multiplicities - A12B2CD2_mC204_9_60a_9a_3a_6a:O-S-Si-Sn, expected SiSn2S3O20 to be SiSn2(SO6)2" +mp-2716233,Na2Si5Sn8S7O48,-6.8503138256,-2.1611077858,0.0732824709,0.0732824709,GGA,P1,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Sn,210.0,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Sn +mp-2716301,Na2In4Si3Sn4(S3O16)3,-6.6331258351,-2.0526239214,0.0866237017,0.0866237017,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:In-Na-O-S-Si-Sn,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:In-Na-O-S-Si-Sn +mp-1221456,Na2Mg2Fe2Se3(SO8)3,-6.4121121219,-1.8453547272,0.0015414506,0.0015414506,GGA+U,R3,A2B2C2D24E3F3_hR108_146_2a_2a_2a_8b_b_b:Fe-Mg-Na-O-S-Se,36.0,A2B2C2D24E3F3_hR108_146_2a_2a_2a_8b_b_b:Fe-Mg-Na-O-S-Se +mp-2240690,Na2Mg(FeS2)2,-5.1222262589,-0.9298737562,0.1902338367,0.1902338367,GGA,C2,A2BC2D4_mC18_5_ab_a_2b_2c:Fe-Mg-Na-S,9.0,A2BC2D4_mC18_5_ab_a_2b_2c:Fe-Mg-Na-S +mp-561519,NaFe(SeO4)2,-6.1216794008,-1.4251894718,0.0,-0.0168149735,GGA+U,C2/m,ABC8D2_mC24_12_a_c_2ij_i:Fe-Na-O-Se,24.0,ABC8D2_mC24_12_a_d_2ij_i:Fe-Na-O-Se +mp-2218981,NaMgFe(SO4)2,-6.3767102646,-1.8198459587,0.3474104557,0.3474104557,GGA+U,C2,ABCD8E2_mC26_5_b_a_a_4c_c:Fe-Mg-Na-O-S,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_5_b_a_a_5c_c:Fe-Mg-Na-O-S, expected NaMgFe(SO5)2 to be NaMgFe(SO4)2" +mp-2219139,NaMgFe(SO4)2,-6.4296624623,-1.8727981564,0.2944582581,0.2944582581,GGA+U,Cm,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Fe-Mg-Na-O-S,13.0,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Fe-Mg-Na-O-S +mp-2218799,NaMgFe(SeO4)2,-6.0132763692,-1.5549564309,0.2211091793,0.2211091793,GGA+U,P1,ABCD8E2_aP13_1_a_a_a_8a_2a:Fe-Mg-Na-O-Se,13.0,ABCD8E2_aP13_1_a_a_a_8a_2a:Fe-Mg-Na-O-Se +mp-2218748,NaMgFe(SeO4)2,-5.8880669438,-1.4297470055,0.3463186047,0.3463186047,GGA+U,C2,ABCD8E2_mC26_5_b_a_a_4c_c:Fe-Mg-Na-O-Se,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_5_b_a_a_7c_c:Fe-Mg-Na-O-Se, expected NaMgFe(SeO7)2 to be NaMgFe(SeO4)2" +mp-2218652,NaMgFe(SeO4)2,-5.9805406423,-1.5222207039,0.2538449062,0.2538449062,GGA+U,Cm,ABCD8E2_mC26_8_a_a_a_4a2b_2a:Fe-Mg-Na-O-Se,13.0,"Invalid WP multiplicities - ABCD8E2_mC26_8_a_a_a_4a4b_2a:Fe-Mg-Na-O-Se, expected NaMgFe(SeO6)2 to be NaMgFe(SeO4)2" +mp-1222122,Mg2SeS,-4.27336942,-1.5651390589,0.01833343,0.01833343,GGA,P-4m2,A2BC_tP4_115_g_a_c:Mg-S-Se,4.0,A2BC_tP4_115_g_a_c:Mg-S-Se +mp-1222134,Mg4Se3S,-4.1439071612,-1.5157440988,0.0206879938,0.0206879938,GGA,R3m,A4BC3_hR24_160_4a_a_3a:Mg-S-Se,8.0,A4BC3_hR24_160_4a_a_3a:Mg-S-Se +mp-690548,NaMgFe(SO4)3,-6.7385764256,-2.1184408317,0.0002950711,-0.0131043171,GGA+U,Cc,ABCD12E3_mC72_9_a_a_a_12a_3a:Fe-Mg-Na-O-S,36.0,"Invalid WP multiplicities - ABCD12E3_mC72_9_a_a_a_22a_6a:Fe-Mg-Na-O-S, expected NaMgFe(S3O11)2 to be NaMgFe(SO4)3" +mp-698654,NaMgFe(SO4)3,-6.7387490619,-2.1186134681,0.0001224347,-0.0132769535,GGA+U,R-3,ABCD12E3_hR108_148_c_c_ab_4f_f:Fe-Mg-Na-O-S,36.0,"Invalid WP multiplicities - ABCD12E3_hR108_148_c_c_ab_19f_f:Fe-Mg-Na-O-S, expected NaMgFe(SO19)3 to be NaMgFe(SO4)3" +mp-1173576,NaMgFe(SO4)3,-6.7388714967,-2.1187359028,0.0,-0.0133993882,GGA+U,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Fe-Mg-Na-O-S,36.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_16b_b:Fe-Mg-Na-O-S, expected NaMgFe(SO16)3 to be NaMgFe(SO4)3" +mp-1221137,Na4SeS,-3.3746927567,-1.2209490036,0.00437484,0.00437484,GGA,P4/mmm,A4BC_tP6_123_i_a_d:Na-S-Se,6.0,A4BC_tP6_123_i_a_d:Na-S-Se +mp-1516482,NaPrMgNbO6,-7.585135224,-2.8366203834,0.158024801,0.158024801,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Mg-Na-Nb-O-Pr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Mg-Na-Nb-O-Pr +mp-558317,KNaPrNbO5,-7.671381425,-2.999317137,0.0,-0.0717950379,GGA,P4/nmm,ABCD5E_tP18_129_a_c_c_cj_b:K-Na-Nb-O-Pr,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_a_c_c_c2j_b:K-Na-Nb-O-Pr, expected KNaPrNbO9 to be KNaPrNbO5" +mp-2231511,K2Na2Pr2MgNb2O10,-7.1854524311,-2.6750609977,0.2232957132,0.2232957132,GGA,Pm,A2BC2D2E10F2_mP19_6_ab_a_ab_ab_ab4c_ab:K-Mg-Na-Nb-O-Pr,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_mP19_6_ab_a_ab_ab_ab7c_ab:K-Mg-Na-Nb-O-Pr, expected K2Na2Pr2MgNb2O16 to be K2Na2Pr2MgNb2O10" +mp-2232079,K2Na2Pr2MgNb2O10,-7.1934008447,-2.6830094114,0.2153472995,0.2153472995,GGA,Cm,A2BC2D2E10F2_mC38_8_b_a_2a_2a_6a2b_b:K-Mg-Na-Nb-O-Pr,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_mC38_8_b_a_2a_2a_6a4b_b:K-Mg-Na-Nb-O-Pr, expected K2Na2Pr2MgNb2O14 to be K2Na2Pr2MgNb2O10" +mp-2231510,K2Na2Pr2MgNb2O10,-7.1717175316,-2.6613260982,0.2370306127,0.2370306127,GGA,Pmm2,A2BC2D2E10F2_oP19_25_ad_a_bc_bc_bc2i_ad:K-Mg-Na-Nb-O-Pr,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_oP19_25_ad_a_bc_bc_bc7i_ad:K-Mg-Na-Nb-O-Pr, expected K2Na2Pr2MgNb2O30 to be K2Na2Pr2MgNb2O10" +mp-2230291,K2Na2Pr2MgNb2O10,-7.1692723795,-2.6588809461,0.2394757648,0.2394757648,GGA,P4mm,A2BC2D2E10F2_tP19_99_c_a_ab_ab_ab2d_c:K-Mg-Na-Nb-O-Pr,19.0,"Invalid WP multiplicities - A2BC2D2E10F2_tP19_99_c_a_ab_ab_ab7d_c:K-Mg-Na-Nb-O-Pr, expected K2Na2Pr2MgNb2O30 to be K2Na2Pr2MgNb2O10" +mp-2715766,Na14Sc8Si7S5O48,-7.3017421534,-2.8471611701,0.0775845574,0.0775845574,GGA,P1,A14B48C5D8E7_aP246_1_42a_144a_15a_24a_21a:Na-O-S-Sc-Si,246.0,A14B48C5D8E7_aP246_1_42a_144a_15a_24a_21a:Na-O-S-Sc-Si +mp-2713171,Na4Mg2Sc2SiS5O24,-6.9022221007,-2.5342301029,0.0452315741,0.0452315741,GGA,P1,A2B4C24D5E2F_aP114_1_6a_12a_72a_15a_6a_3a:Mg-Na-O-S-Sc-Si,114.0,A2B4C24D5E2F_aP114_1_6a_12a_72a_15a_6a_3a:Mg-Na-O-S-Sc-Si +mp-2714852,NaMgSc3(SO4)6,-7.244515169,-2.517102571,0.0045501945,0.0045501945,GGA,P3,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Mg-Na-O-S-Sc,105.0,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Mg-Na-O-S-Sc +mp-2714261,NaMgSc(SO4)3,-6.9673882825,-2.4660055834,0.0,-0.0099894014,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Mg-Na-O-S-Sc,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Mg-Na-O-S-Sc, expected NaMgSc(SO12)3 to be NaMgSc(SO4)3" +mp-2714423,Na2Sc4SiS5O24,-7.4746246891,-2.6745407046,0.0234288357,0.0234288357,GGA,P1,A2B24C5D4E_aP108_1_6a_72a_15a_12a_3a:Na-O-S-Sc-Si,108.0,A2B24C5D4E_aP108_1_6a_72a_15a_12a_3a:Na-O-S-Sc-Si +mp-2714821,Na10Mg4Sc4Si3(S3O16)3,-6.8653679761,-2.5589409173,0.0728851106,0.0728851106,GGA,P1,A4B10C48D9E4F3_aP234_1_12a_30a_144a_27a_12a_9a:Mg-Na-O-S-Sc-Si,234.0,A4B10C48D9E4F3_aP234_1_12a_30a_144a_27a_12a_9a:Mg-Na-O-S-Sc-Si +mp-2712670,Na3MgScSi(SO6)2,-6.8429280595,-2.5949876928,0.0865844684,0.0865844684,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Mg-Na-O-S-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Mg-Na-O-S-Sc-Si, expected Na4MgScSiS3O20 to be Na3MgScSi(SO6)2" +mp-2713687,Na2Sc2Si(SO6)2,-7.4011853576,-2.7502131947,0.052795077,0.052795077,GGA,Cc,A2B12C2D2E_mC228_9_6a_36a_6a_6a_3a:Na-O-S-Sc-Si,114.0,"Invalid WP multiplicities - A2B12C2D2E_mC228_9_6a_72a_10a_6a_3a:Na-O-S-Sc-Si, expected Na6Sc6Si3(S5O36)2 to be Na2Sc2Si(SO6)2" +mp-2716242,Na6Sc4Si3(SO8)3,-7.3338063438,-2.8170348203,0.0805083097,0.0805083097,GGA,P1,A6B24C3D4E3_aP120_1_18a_72a_9a_12a_9a:Na-O-S-Sc-Si,120.0,A6B24C3D4E3_aP120_1_18a_72a_9a_12a_9a:Na-O-S-Sc-Si +mp-2715018,Na3Mg3Sc(SO4)6,-6.6858023925,-2.3982317599,0.0041547647,0.0041547647,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Mg-Na-O-S-Sc,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Mg-Na-O-S-Sc +mp-999460,NaScS2,-5.97292923,-1.990955697,0.0,-0.1450301078,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Sc,4.0,AB2C_hR12_166_a_c_b:Na-S-Sc +mp-2714335,Na4Sc2Si2SO12,-7.2772717521,-2.8819198547,0.0567725937,0.0567725937,GGA,Cc,A4B12CD2E2_mC84_9_4a_12a_a_2a_2a:Na-O-S-Sc-Si,126.0,"Invalid WP multiplicities - A4B12CD2E2_mC84_9_19a_72a_a_6a_12a:Na-O-S-Sc-Si, expected Na19Sc6Si12SO72 to be Na4Sc2Si2SO12" +mp-2715942,Na14Mg4Sc4Si5S7O48,-6.8210789929,-2.6287723089,0.0899929527,0.0899929527,GGA,P1,A4B14C48D7E4F5_aP246_1_12a_42a_144a_21a_12a_15a:Mg-Na-O-S-Sc-Si,246.0,A4B14C48D7E4F5_aP246_1_12a_42a_144a_21a_12a_15a:Mg-Na-O-S-Sc-Si +mp-2714523,Na14Mg8Si3(S3O16)3,-6.3527917037,-2.4227593191,0.0853025583,0.0853025583,GGA,P1,A8B14C48D9E3_aP246_1_24a_42a_144a_27a_9a:Mg-Na-O-S-Si,246.0,A8B14C48D9E3_aP246_1_24a_42a_144a_27a_9a:Mg-Na-O-S-Si +mp-2713967,Na6Mg4SiS5O24,-6.3801670817,-2.4010578718,0.0554633157,0.0554633157,GGA,P1,A4B6C24D5E_aP120_1_12a_18a_72a_15a_3a:Mg-Na-O-S-Si,120.0,A4B6C24D5E_aP120_1_12a_18a_72a_15a_3a:Mg-Na-O-S-Si +mp-2713287,Na10Mg8SiS11O48,-6.4044203965,-2.3737176011,0.0270676466,0.0270676466,GGA,P1,A8B10C48D11E_aP234_1_24a_30a_144a_33a_3a:Mg-Na-O-S-Si,234.0,A8B10C48D11E_aP234_1_24a_30a_144a_33a_3a:Mg-Na-O-S-Si +mp-2714043,Na2Sc8SiS11O48,-7.5078438396,-2.6268134377,0.014135077,0.014135077,GGA,P1,A2B48C11D8E_aP210_1_6a_144a_33a_24a_3a:Na-O-S-Sc-Si,210.0,A2B48C11D8E_aP210_1_6a_144a_33a_24a_3a:Na-O-S-Sc-Si +mp-2713104,Na4Mg2Si(SO6)2,-6.3418265548,-2.4585340037,0.0899666214,0.0899666214,GGA,Cc,A2B4C12D2E_mC252_9_6a_12a_36a_6a_3a:Mg-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC252_9_6a_18a_60a_9a_3a:Mg-Na-O-S-Si, expected Na6Mg2SiS3O20 to be Na4Mg2Si(SO6)2" +mp-2713233,Na6Mg4Sc4SiS11O48,-6.9357132987,-2.5028285273,0.0214382934,0.0214382934,GGA,P1,A4B6C48D11E4F_aP222_1_12a_18a_144a_33a_12a_3a:Mg-Na-O-S-Sc-Si,222.0,A4B6C48D11E4F_aP222_1_12a_18a_144a_33a_12a_3a:Mg-Na-O-S-Sc-Si +mp-2714993,Na10Sc8Si5S7O48,-7.3633350347,-2.7811837125,0.0703039737,0.0703039737,GGA,P1,A10B48C7D8E5_aP234_1_30a_144a_21a_24a_15a:Na-O-S-Sc-Si,234.0,A10B48C7D8E5_aP234_1_30a_144a_21a_24a_15a:Na-O-S-Sc-Si +mp-2714021,Na6Sc8Si3(S3O16)3,-7.4419677093,-2.7184546602,0.0334536881,0.0334536881,GGA,P1,A6B48C9D8E3_aP222_1_18a_144a_27a_24a_9a:Na-O-S-Sc-Si,222.0,A6B48C9D8E3_aP222_1_18a_144a_27a_24a_9a:Na-O-S-Sc-Si +mp-2715038,Na8Mg2Sc2Si3(SO8)3,-6.793079974,-2.6537577497,0.089838787,0.089838787,GGA,P1,A2B8C24D3E2F3_aP126_1_6a_24a_72a_9a_6a_9a:Mg-Na-O-S-Sc-Si,126.0,A2B8C24D3E2F3_aP126_1_6a_24a_72a_9a_6a_9a:Mg-Na-O-S-Sc-Si +mp-2714190,Na7MgSc3Si3(SO8)3,-7.0596243414,-2.7361805077,0.0865960064,0.0865960064,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-S-Sc-Si,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-S-Sc-Si +mp-12005,Tm2Al3Si2,-4.9423424071,-0.5081946362,0.0,-0.00933775,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Si-Tm,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Si-Tm, expected Tm2Al5Si2 to be Tm2Al3Si2" +mp-684728,Ba2Tm2Al3Si5N11O3,-6.4377627188,-0.3725916159,1.5539475811,1.5539475811,GGA,P3m1,A3B2C11D3E5F2_hP26_156_d_ab_2c3d_d_2cd_ab:Al-Ba-N-O-Si-Tm,26.0,"Invalid WP multiplicities - A3B2C11D3E5F2_hP26_156_d_ab_2c7d_d_2cd_ab:Al-Ba-N-O-Si-Tm, expected Ba2Tm2Al3Si5N23O3 to be Ba2Tm2Al3Si5N11O3" +mp-10530,Tm2AlSi2,-5.390909078,-0.6813325307,0.0,-0.019298182,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Si-Tm,5.0,AB2C2_oI10_71_a_f_h:Al-Si-Tm +mp-1019537,BaAlSi4N5O3,-8.0618844868,-2.0698585119,0.036810828,0.036810828,GGA,Cmc2_1,ABC5D3E4_oC56_36_a_a_3ab_ab_2ab:Al-Ba-N-O-Si,28.0,ABC5D3E4_oC56_36_a_a_3ab_ab_2ab:Al-Ba-N-O-Si +mp-1208126,Tm12Al7Si,-4.647017909,-0.379299213,0.0,-0.0030371434,GGA,I4/mcm,A7BC12_tI80_140_chl_a_ghm:Al-Si-Tm,40.0,A7BC12_tI80_140_chl_a_ghm:Al-Si-Tm +mp-571506,TmAlSi,-5.1309094617,-0.5819997006000001,0.0,-0.001664275,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Si-Tm,6.0,ABC_oC12_63_a_c_c:Al-Si-Tm +mp-1018641,Tm3AlN,-6.128227868,-1.026312463,0.0,-0.0620300512,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-N-Tm,5.0,ABC3_cP5_221_a_b_c:Al-N-Tm +mp-1019531,BaAl2Si3(NO)4,-8.0132576579,-2.3833422839,0.0,-0.0052955231,GGA,Cmc2_1,A2BC4D4E3_oC56_36_2a_a_2ab_2ab_ab:Al-Ba-N-O-Si,28.0,A2BC4D4E3_oC56_36_2a_a_2ab_2ab_ab:Al-Ba-N-O-Si +mp-1227994,BaAlSi5N7O2,-8.1204614037,-1.8054624777,0.0,-0.0061777268,GGA,P1,ABC7D2E5_aP16_1_a_a_7a_2a_5a:Al-Ba-N-O-Si,16.0,ABC7D2E5_aP16_1_a_a_7a_2a_5a:Al-Ba-N-O-Si +mp-706268,BaAlSi5N7O2,-7.3900479734,-1.0750490473,0.7304134303,0.7242357035,GGA,Pc,ABC7D2E5_mP32_7_a_a_7a_2a_5a:Al-Ba-N-O-Si,32.0,"Invalid WP multiplicities - ABC7D2E5_mP32_7_a_a_13a_2a_7a:Al-Ba-N-O-Si, expected BaAlSi7N13O2 to be BaAlSi5N7O2" +mp-2714747,NaCaAl3(SO4)6,-6.8694472711,-2.3521878159,0.0315665187,0.0315665187,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Al-Ca-Na-O-S,105.0,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Al-Ca-Na-O-S +mp-2713600,Na10Ca8SiS11O48,-6.5669538746,-2.4946798146,0.0432071419,0.0432071419,GGA,P1,A8B10C48D11E_aP234_1_24a_30a_144a_33a_3a:Ca-Na-O-S-Si,234.0,A8B10C48D11E_aP234_1_24a_30a_144a_33a_3a:Ca-Na-O-S-Si +mp-2715647,Na14Al8Si7S5O48,-6.8755083225,-2.6733071709000003,0.1267517954,0.1267517954,GGA,P1,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:Al-Na-O-S-Si,246.0,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:Al-Na-O-S-Si +mp-2714549,Na6Ca4SiS5O24,-6.5401924831,-2.5205512902,0.0509412087,0.0509412087,GGA,P1,A4B6C24D5E_aP120_1_12a_18a_72a_15a_3a:Ca-Na-O-S-Si,120.0,A4B6C24D5E_aP120_1_12a_18a_72a_15a_3a:Ca-Na-O-S-Si +mp-41734,Na8Al6Si6SO28,-7.2702197296,-3.0202340298,0.0,-0.0036243894,GGA,P23,A6B8C28DE6_cP49_195_g_2e_e2j_a_h:Al-Na-O-S-Si,49.0,"Invalid WP multiplicities - A6B8C28DE6_cP49_195_g_3e_2e7j_a_h:Al-Na-O-S-Si, expected Na12Al6Si6SO92 to be Na8Al6Si6SO28" +mp-2714044,NaCaAl(SO4)3,-6.7314784558,-2.3512942814,0.0775401806,0.0775401806,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Al-Ca-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Al-Ca-Na-O-S, expected NaCaAl(SO12)3 to be NaCaAl(SO4)3" +mp-2714191,Na7CaAl3Si3(SO8)3,-6.7474684819,-2.6034236725,0.1588892343,0.1588892343,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Al-Ca-Na-O-S-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Al-Ca-Na-O-S-Si +mp-1210353,Na4Al3Si3SO16,-7.1544092619,-2.854918447,0.0466442295,0.0466442295,GGA,P-43n,A3B4C16DE3_cP54_218_c_e_ei_a_d:Al-Na-O-S-Si,54.0,A3B4C16DE3_cP54_218_c_e_ei_a_d:Al-Na-O-S-Si +mp-2714483,Na4Al2Si2SO12,-6.8649859354,-2.7160048261,0.1245131352,0.1245131352,GGA,Cc,A2B4C12DE2_mC84_9_2a_4a_12a_a_2a:Al-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12DE2_mC84_9_6a_19a_72a_a_12a:Al-Na-O-S-Si, expected Na19Al6Si12SO72 to be Na4Al2Si2SO12" +mp-8876,Ca4Al6SO12,-7.4679301522,-3.3812967217,0.0,-0.0172349622,GGA,I-43m,A6B4C12D_cI46_217_d_c_g_a:Al-Ca-O-S,23.0,A6B4C12D_cI46_217_d_c_g_a:Al-Ca-O-S +mp-2715873,Na14Ca4Al4Si5S7O48,-6.6667519453,-2.5808634781,0.1284225503,0.1284225503,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Al-Ca-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Al-Ca-Na-O-S-Si +mp-2714890,Na2Ca2(SO4)3,-6.5967668471,-2.4690897691,0.0329342229,0.0329342229,GGA,C2/c,A2B2C12D3_mC76_15_f_ce_6f_ef:Ca-Na-O-S,114.0,"Invalid WP multiplicities - A2B2C12D3_mC76_15_f_ae_72f_6e7f:Ca-Na-O-S, expected NaCa(S5O36)2 to be Na2Ca2(SO4)3" +mp-1203850,Ca3Al2SO16,-6.0290144364,-1.6294044115,0.5056583246,0.5056583246,GGA,C2/c,A2B3C16D_mC88_15_f_ef_8f_e:Al-Ca-O-S,44.0,A2B3C16D_mC88_15_f_ef_8f_e:Al-Ca-O-S +mp-2713422,Na4Ca2Al2SiS5O24,-6.7199732258,-2.4668008829,0.1018527203,0.1018527203,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Al-Ca-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Al-Ca-Na-O-S-Si +mp-2713629,Na2Al2Si(SO6)2,-6.9221223596,-2.5434547519,0.0911768504,0.0911768504,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:Al-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:Al-Na-O-S-Si, expected Na6Al6Si3(S5O36)2 to be Na2Al2Si(SO6)2" +mp-14422,Ca(AlS2)2,-5.4171591954,-1.6967947657,0.0,-0.0408538873,GGA,Fddd,A2BC4_oF224_70_2h_abe_4h:Al-Ca-S,56.0,A2BC4_oF224_70_2h_abe_4h:Al-Ca-S +mp-720222,Na3CaAl3Si3SO16,-7.33965125,-3.0148613764,0.0302016082,0.0302016082,GGA,P1,A3BC3D16EF3_aP54_1_6a_2a_6a_32a_2a_6a:Al-Ca-Na-O-S-Si,54.0,A3BC3D16EF3_aP54_1_6a_2a_6a_32a_2a_6a:Al-Ca-Na-O-S-Si +mp-1221308,Na3CaAl3Si3SO16,-7.3315121207,-3.0067222471,0.0383407375,0.0383407375,GGA,P1,A3BC3D16EF3_aP27_1_3a_a_3a_16a_a_3a:Al-Ca-Na-O-S-Si,27.0,A3BC3D16EF3_aP27_1_3a_a_3a_16a_a_3a:Al-Ca-Na-O-S-Si +mp-1252733,Na3CaAl3Si3SO16,-7.3601810328,-3.0353911592,0.0096718255,0.0096718255,GGA,P1,A3BC3D16EF3_aP54_1_6a_2a_6a_32a_2a_6a:Al-Ca-Na-O-S-Si,54.0,A3BC3D16EF3_aP54_1_6a_2a_6a_32a_2a_6a:Al-Ca-Na-O-S-Si +mp-1368522,Na3CaAl3Si3SO16,-3.0698572911,1.2549325825,4.2999955671,4.2999955671,GGA,P1,A3BC3D16EF3_aP27_1_3a_a_3a_16a_a_3a:Al-Ca-Na-O-S-Si,27.0,A3BC3D16EF3_aP27_1_3a_a_3a_16a_a_3a:Al-Ca-Na-O-S-Si +mp-1173736,Na3CaAl3Si3SO16,-7.3454657952,-3.0206759216,0.0243870631,0.0243870631,GGA,R3c,A3BC3D16EF3_hR162_161_b_a_b_a5b_a_b:Al-Ca-Na-O-S-Si,54.0,"Invalid WP multiplicities - A3BC3D16EF3_hR162_161_b_a_b_2a25b_a_b:Al-Ca-Na-O-S-Si, expected Na3CaAl3Si3SO77 to be Na3CaAl3Si3SO16" +mp-2714991,Na10Al8Si5S7O48,-6.9045339912,-2.5877050562,0.1093698987,0.1093698987,GGA,P1,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:Al-Na-O-S-Si,234.0,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:Al-Na-O-S-Si +mp-2712721,Na6Ca4Al4SiS11O48,-6.7478155686,-2.4328536861,0.0677797943,0.0677797943,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Al-Ca-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Al-Ca-Na-O-S-Si +mp-2714411,Na14Ca8Si3(S3O16)3,-6.4991574252,-2.5295816425,0.0736506292,0.0736506292,GGA,P1,A8B14C48D9E3_aP246_1_24a_42a_144a_27a_9a:Ca-Na-O-S-Si,246.0,A8B14C48D9E3_aP246_1_24a_42a_144a_27a_9a:Ca-Na-O-S-Si +mp-2714245,Na2Al8SiS11O48,-6.9703255802,-2.3849401241,0.0340931262,0.0340931262,GGA,P1,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:Al-Na-O-S-Si,210.0,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:Al-Na-O-S-Si +mp-2716138,Na6Al4Si3(SO8)3,-6.8923387027,-2.6342565066,0.1221396332,0.1221396332,GGA,P1,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:Al-Na-O-S-Si,120.0,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:Al-Na-O-S-Si +mp-2712677,Na3CaAlSi(SO6)2,-6.6360576422,-2.4971959478,0.1828468939,0.1828468939,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Al-Ca-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Al-Ca-Na-O-S-Si, expected Na4CaAlSiS3O20 to be Na3CaAlSi(SO6)2" +mp-2713850,Na6Al8Si3(S3O16)3,-6.9375787213,-2.49372981,0.0750831233,0.0750831233,GGA,P1,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:Al-Na-O-S-Si,222.0,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:Al-Na-O-S-Si +mp-2715007,Na8Ca2Al2Si3(SO8)3,-6.6152335083,-2.5797957338,0.1571935602,0.1571935602,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Al-Ca-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Al-Ca-Na-O-S-Si +mp-2712933,Na4Ca2Si(SO6)2,-6.4748159063,-2.5529214667,0.08053916,0.08053916,GGA,Cc,A2B4C12D2E_mC252_9_6a_12a_36a_6a_3a:Ca-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC252_9_6a_18a_60a_9a_3a:Ca-Na-O-S-Si, expected Na6Ca2SiS3O20 to be Na4Ca2Si(SO6)2" +mp-2714883,Na10Ca4Al4Si3(S3O16)3,-6.6570598247,-2.4625083271,0.1704390984,0.1704390984,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Al-Ca-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Al-Ca-Na-O-S-Si +mp-1019575,Ca4Al6SO16,-7.5106476422,-3.2965986146,0.0,-0.0153687343,GGA,Pcc2,A6B4C16D_oP108_27_abcd4e_4e_16e_e:Al-Ca-O-S,108.0,A6B4C16D_oP108_27_abcd4e_4e_16e_e:Al-Ca-O-S +mp-662566,Ca4Al6SO16,-7.5057284787,-3.2916794510000003,0.0049191635,-0.0104495707,GGA,Pcc2,A6B4C16D_oP108_27_abcd4e_4e_16e_e:Al-Ca-O-S,108.0,"Invalid WP multiplicities - A6B4C16D_oP108_27_2a2b2cd12e_13e_60e_e:Al-Ca-O-S, expected Ca26Al31(SO60)2 to be Ca4Al6SO16" +mp-1227619,Ca4Al6SO16,-7.5028788126,-3.2888297849,0.0077688296,-0.0075999046,GGA,I-4,A6B4C16D_tI54_82_abg_g_4g_c:Al-Ca-O-S,27.0,"Invalid WP multiplicities - A6B4C16D_tI54_82_ab3g_g_13g_c:Al-Ca-O-S, expected Ca4Al14SO52 to be Ca4Al6SO16" +mp-14150,Ca4Al6SO16,-7.4820108519,-3.2679618242,0.0286367904,0.0132680561,GGA,I-43m,A6B4C16D_cI54_217_d_c_cg_a:Al-Ca-O-S,27.0,"Invalid WP multiplicities - A6B4C16D_cI54_217_d_c_c2g_a:Al-Ca-O-S, expected Ca4Al6SO28 to be Ca4Al6SO16" +mp-1227764,Ca4Al6SO16,-7.4585450615,-3.2444960338,0.0521025807,0.0367338465,GGA,I-43m,A6B4C16D_cI54_217_d_c_cg_a:Al-Ca-O-S,27.0,A6B4C16D_cI54_217_d_c_cg_a:Al-Ca-O-S +mp-2714987,Na3Ca3Al(SO4)6,-6.6707282492,-2.420209881,0.0462083936,0.0462083936,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Ca-Na-O-S,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Ca-Na-O-S +mp-6397,Na2Ca(SO4)2,-6.4627587935,-2.4245234173,0.0,-0.0014285346,GGA,C2/c,AB2C8D2_mC52_15_e_f_4f_f:Ca-Na-O-S,26.0,"Invalid WP multiplicities - AB2C8D2_mC52_15_e_f_5f_f:Ca-Na-O-S, expected Na2Ca(SO5)2 to be Na2Ca(SO4)2" +mp-2714362,Na2Al4SiS5O24,-6.9541922471,-2.4415408488,0.0558915049,0.0558915049,GGA,P1,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:Al-Na-O-S-Si,108.0,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:Al-Na-O-S-Si +mp-2713341,Hf2Si(SO6)2,-8.3306064214,-2.8616146356,0.0,-0.118817294,GGA,Cc,A2B12C2D_mC204_9_6a_36a_6a_3a:Hf-O-S-Si,102.0,"Invalid WP multiplicities - A2B12C2D_mC204_9_6a_60a_9a_3a:Hf-O-S-Si, expected Hf2SiS3O20 to be Hf2Si(SO6)2" +mp-2714137,Na10Si9Ge8(SO16)3,-6.8851048343,-2.4121850166,0.1436205255,0.1436205255,GGA,P1,A8B10C48D3E9_aP234_1_24a_30a_144a_9a_27a:Ge-Na-O-S-Si,234.0,A8B10C48D3E9_aP234_1_24a_30a_144a_9a_27a:Ge-Na-O-S-Si +mp-1212502,Hf2SiS2,-6.46157419,0.2609449747,1.737379632,1.737379632,GGA,P4/mmm,A2B2C_tP5_123_g_g_a:Hf-S-Si,5.0,A2B2C_tP5_123_g_g_a:Hf-S-Si +mp-2713185,Na2Si3Ge4(SO8)3,-6.8948529567,-2.213103102,0.1131290784,0.1131290784,GGA,P1,A4B2C24D3E3_aP108_1_12a_6a_72a_9a_9a:Ge-Na-O-S-Si,108.0,A4B2C24D3E3_aP108_1_12a_6a_72a_9a_9a:Ge-Na-O-S-Si +mp-2712524,Na2Hf2Si2SO12,-8.146934559,-3.0465777638,0.0774855383,0.0774855383,GGA,Cc,A2B2C12DE2_mC76_9_2a_2a_12a_a_2a:Hf-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12DE2_mC76_9_6a_2a_72a_a_12a:Hf-Na-O-S-Si, expected Na2Hf6Si12SO72 to be Na2Hf2Si2SO12" +mp-2716509,Na4HfSi3GeO12,-7.4265127875,-2.8785824692,0.0339425385,0.0339425385,GGA,P3,ABC4D12E3_hP126_143_2a3bc_2ab3c_2a2b2c6d_24d_6d:Ge-Hf-Na-O-Si,126.0,ABC4D12E3_hP126_143_2a3bc_2ab3c_2a2b2c6d_24d_6d:Ge-Hf-Na-O-Si +mp-2713424,Na2Hf4Si3(SO8)3,-8.2420290844,-2.9675946548,0.0325345548,0.0325345548,GGA,P1,A4B2C24D3E3_aP108_1_12a_6a_72a_9a_9a:Hf-Na-O-S-Si,108.0,A4B2C24D3E3_aP108_1_12a_6a_72a_9a_9a:Hf-Na-O-S-Si +mp-7916,HfSiS,-7.79485818,-1.2885392044,0.0,-0.0715179667,GGA,P4/nmm,ABC_tP6_129_c_c_a:Hf-S-Si,6.0,ABC_tP6_129_c_c_a:Hf-S-Si +mp-2712759,Na2Si2Ge2SO12,-6.8878609989,-2.3489948537,0.1539683549,0.1539683549,GGA,Cc,A2B2C12DE2_mC76_9_2a_2a_12a_a_2a:Ge-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12DE2_mC76_9_6a_2a_72a_a_12a:Ge-Na-O-S-Si, expected Na2Si12Ge6SO72 to be Na2Si2Ge2SO12" +mp-2713373,SiGe2(SO6)2,-6.8572582041,-2.0158147918,0.0370610551,0.0370610551,GGA,Cc,A2B12C2D_mC204_9_6a_36a_6a_3a:Ge-O-S-Si,102.0,"Invalid WP multiplicities - A2B12C2D_mC204_9_6a_60a_9a_3a:Ge-O-S-Si, expected SiGe2S3O20 to be SiGe2(SO6)2" +mp-2713402,HfSiGe(SO6)2,-7.5830567652,-2.4278391662,0.0294060751,0.0294060751,GGA,P1,ABC12D2E_aP102_1_6a_6a_72a_12a_6a:Ge-Hf-O-S-Si,102.0,ABC12D2E_aP102_1_6a_6a_72a_12a_6a:Ge-Hf-O-S-Si +mp-2712872,Na6Hf4Si7Ge4S5O48,-7.5383427412,-2.6416325657,0.103195184,0.103195184,GGA,P1,A4B4C6D48E5F7_aP222_1_12a_12a_18a_144a_15a_21a:Ge-Hf-Na-O-S-Si,222.0,A4B4C6D48E5F7_aP222_1_12a_12a_18a_144a_15a_21a:Ge-Hf-Na-O-S-Si +mp-7918,HfGeS,-7.458716525,-1.2198276077,0.0,-0.0275346642,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-Hf-S,6.0,ABC_tP6_129_a_c_c:Ge-Hf-S +mp-2714501,Na14Si11Ge8SO48,-6.8795632334,-2.5288853884,0.0824516927,0.0824516927,GGA,P1,A8B14C48DE11_aP246_1_24a_42a_144a_3a_33a:Ge-Na-O-S-Si,246.0,A8B14C48DE11_aP246_1_24a_42a_144a_3a_33a:Ge-Na-O-S-Si +mp-2716192,Na2Si5Ge8S7O48,-6.8735706404,-2.1142553435,0.0967188371,0.0967188371,GGA,P1,A8B2C48D7E5_aP210_1_24a_6a_144a_21a_15a:Ge-Na-O-S-Si,210.0,A8B2C48D7E5_aP210_1_24a_6a_144a_21a_15a:Ge-Na-O-S-Si +mp-2713022,Na6Si7Ge8S5O48,-6.8908523779,-2.2824752389,0.14088636,0.14088636,GGA,P1,A8B6C48D5E7_aP222_1_24a_18a_144a_15a_21a:Ge-Na-O-S-Si,222.0,A8B6C48D5E7_aP222_1_24a_18a_144a_15a_21a:Ge-Na-O-S-Si +mp-2713879,Na6Hf4Si5SO24,-8.0677661315,-3.1240792073,0.0337706153,0.0337706153,GGA,P1,A4B6C24DE5_aP120_1_12a_18a_72a_3a_15a:Hf-Na-O-S-Si,120.0,A4B6C24DE5_aP120_1_12a_18a_72a_3a_15a:Hf-Na-O-S-Si +mp-2716152,Na2Hf4Si5Ge4S7O48,-7.5748897581,-2.5107652512,0.075509836,0.075509836,GGA,P1,A4B4C2D48E7F5_aP210_1_12a_12a_6a_144a_21a_15a:Ge-Hf-Na-O-S-Si,210.0,A4B4C2D48E7F5_aP210_1_12a_12a_6a_144a_21a_15a:Ge-Hf-Na-O-S-Si +mp-2714183,Na10Hf4Si9Ge4(SO16)3,-7.4887873314,-2.7423207867,0.1064272612,0.1064272612,GGA,P1,A4B4C10D48E3F9_aP234_1_12a_12a_30a_144a_9a_27a:Ge-Hf-Na-O-S-Si,234.0,A4B4C10D48E3F9_aP234_1_12a_12a_30a_144a_9a_27a:Ge-Hf-Na-O-S-Si +mp-2713919,Na6Hf2Si5Ge2SO24,-7.4568408075,-2.7798619421,0.0926622475,0.0926622475,GGA,P1,A2B2C6D24EF5_aP120_1_6a_6a_18a_72a_3a_15a:Ge-Hf-Na-O-S-Si,120.0,A2B2C6D24EF5_aP120_1_6a_6a_18a_72a_3a_15a:Ge-Hf-Na-O-S-Si +mp-2712936,Na6Hf8Si7S5O48,-8.1924509099,-3.0074076979,0.056363343,0.056363343,GGA,P1,A8B6C48D5E7_aP222_1_24a_18a_144a_15a_21a:Hf-Na-O-S-Si,222.0,A8B6C48D5E7_aP222_1_24a_18a_144a_15a_21a:Hf-Na-O-S-Si +mp-2713951,Na6Si5Ge4SO24,-6.8811806831,-2.4709098764,0.1133555795,0.1133555795,GGA,P1,A4B6C24DE5_aP120_1_12a_18a_72a_3a_15a:Ge-Na-O-S-Si,120.0,A4B6C24DE5_aP120_1_12a_18a_72a_3a_15a:Ge-Na-O-S-Si +mp-2712698,Na2HfSi2GeSO12,-7.5122175506,-2.6926060804,0.120907175,0.120907175,GGA,P1,ABC2D12EF2_aP114_1_6a_6a_12a_72a_6a_12a:Ge-Hf-Na-O-S-Si,114.0,ABC2D12EF2_aP114_1_6a_6a_12a_72a_6a_12a:Ge-Hf-Na-O-S-Si +mp-2714502,Na14Hf8Si11SO48,-8.02795464,-3.1568708268,0.0166361639,0.0166361639,GGA,P1,A8B14C48DE11_aP246_1_24a_42a_144a_3a_33a:Hf-Na-O-S-Si,246.0,A8B14C48DE11_aP246_1_24a_42a_144a_3a_33a:Hf-Na-O-S-Si +mp-2714598,Na14Hf4Si11Ge4SO48,-7.4457660174,-2.8348851884,0.0588245502,0.0588245502,GGA,P1,A4B4C14D48EF11_aP246_1_12a_12a_42a_144a_3a_33a:Ge-Hf-Na-O-S-Si,246.0,A4B4C14D48EF11_aP246_1_12a_12a_42a_144a_3a_33a:Ge-Hf-Na-O-S-Si +mp-2713204,Na2Hf2Si3Ge2(SO8)3,-7.5686746336,-2.5905824915,0.081743891,0.081743891,GGA,P1,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Ge-Hf-Na-O-S-Si,108.0,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Ge-Hf-Na-O-S-Si +mp-2716151,Na2Hf8Si5S7O48,-8.2815948827,-2.9126611658,0.0201895364,0.0201895364,GGA,P1,A8B2C48D7E5_aP210_1_24a_6a_144a_21a_15a:Hf-Na-O-S-Si,210.0,A8B2C48D7E5_aP210_1_24a_6a_144a_21a_15a:Hf-Na-O-S-Si +mp-2714028,Na10Hf8Si9(SO16)3,-8.1057018776,-3.085688606,0.0557011169,0.0557011169,GGA,P1,A8B10C48D3E9_aP234_1_24a_30a_144a_9a_27a:Hf-Na-O-S-Si,234.0,A8B10C48D3E9_aP234_1_24a_30a_144a_9a_27a:Hf-Na-O-S-Si +mp-2713041,Sc3TaSiS5O24,-7.7982670251,-2.6311116904,0.0415218739,0.0415218739,GGA,P1,A24B5C3DE_aP102_1_72a_15a_9a_3a_3a:O-S-Sc-Si-Ta,102.0,A24B5C3DE_aP102_1_72a_15a_9a_3a_3a:O-S-Sc-Si-Ta +mp-2714576,Na6Sc3TaSi4(SO12)2,-7.5856510875,-2.8985251468,0.0838731526,0.0838731526,GGA,P1,A6B24C2D3E4F_aP120_1_18a_72a_6a_9a_12a_3a:Na-O-S-Sc-Si-Ta,120.0,A6B24C2D3E4F_aP120_1_18a_72a_6a_9a_12a_3a:Na-O-S-Sc-Si-Ta +mp-2712527,Na2Sc3TaSi2(SO6)4,-7.7314564976,-2.7420898273,0.0602182019,0.0602182019,GGA,P1,A2B24C4D3E2F_aP108_1_6a_72a_12a_9a_6a_3a:Na-O-S-Sc-Si-Ta,108.0,A2B24C4D3E2F_aP108_1_6a_72a_12a_9a_6a_3a:Na-O-S-Sc-Si-Ta +mp-2712911,Na6Sc4Ta4Si7S5O48,-7.9693018339,-2.8774549098,0.0732569301,0.0732569301,GGA,P1,A6B48C5D4E7F4_aP222_1_18a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Ta,222.0,A6B48C5D4E7F4_aP222_1_18a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Ta +mp-2713978,ScTa3Si3(SO8)3,-8.3812682918,-2.8132790342,0.0434750365,0.0434750365,GGA,P1,A24B3CD3E3_aP102_1_72a_9a_3a_9a_9a:O-S-Sc-Si-Ta,102.0,A24B3CD3E3_aP102_1_72a_9a_3a_9a_9a:O-S-Sc-Si-Ta +mp-2713234,Na4Sc3TaSi3(SO8)3,-7.6593766825,-2.8290840804,0.0738025553,0.0738025553,GGA,P1,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Ta,114.0,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Ta +mp-2713443,Na2Sc2Ta2Si3(SO8)3,-7.9824696039,-2.8038202478,0.0941239363,0.0941239363,GGA,P1,A2B24C3D2E3F2_aP108_1_6a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Ta,108.0,A2B24C3D2E3F2_aP108_1_6a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Ta +mp-2715633,Na8Sc3TaSi5SO24,-7.5289982495,-2.9714040500000003,0.041932239,0.041932239,GGA,P1,A8B24CD3E5F_aP126_1_24a_72a_3a_9a_15a_3a:Na-O-S-Sc-Si-Ta,126.0,A8B24CD3E5F_aP126_1_24a_72a_3a_9a_15a_3a:Na-O-S-Sc-Si-Ta +mp-2712848,Na6Sc2Ta6Si9(SO16)3,-8.2559598134,-2.9799459518,0.0638172821,0.0638172821,GGA,P1,A6B48C3D2E9F6_aP222_1_18a_144a_9a_6a_27a_18a:Na-O-S-Sc-Si-Ta,222.0,A6B48C3D2E9F6_aP222_1_18a_144a_9a_6a_27a_18a:Na-O-S-Sc-Si-Ta +mp-2715666,Na2ScTa3Si4(SO12)2,-8.3076454286,-2.9397133868000003,0.0538669523,0.0538669523,GGA,P1,A2B24C2DE4F3_aP108_1_6a_72a_6a_3a_12a_9a:Na-O-S-Sc-Si-Ta,108.0,A2B24C2DE4F3_aP108_1_6a_72a_6a_3a_12a_9a:Na-O-S-Sc-Si-Ta +mp-2715524,Na2Sc2Ta6Si7S5O48,-8.3477170966,-2.8826144071,0.0493743671,0.0493743671,GGA,P1,A2B48C5D2E7F6_aP210_1_6a_144a_15a_6a_21a_18a:Na-O-S-Sc-Si-Ta,210.0,A2B48C5D2E7F6_aP210_1_6a_144a_15a_6a_21a_18a:Na-O-S-Sc-Si-Ta +mp-2714672,Na6Sc5Ta3Si6(SO8)6,-7.8242790559,-2.8245156005,0.0796705424,0.0796705424,GGA,P1,A6B48C6D5E6F3_aP222_1_18a_144a_18a_15a_18a_9a:Na-O-S-Sc-Si-Ta,222.0,A6B48C6D5E6F3_aP222_1_18a_144a_18a_15a_18a_9a:Na-O-S-Sc-Si-Ta +mp-2714150,Na10Sc4Ta4Si9(SO16)3,-7.8710112413,-2.9394149607,0.0915569759,0.0915569759,GGA,P1,A10B48C3D4E9F4_aP234_1_30a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Ta,234.0,A10B48C3D4E9F4_aP234_1_30a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Ta +mp-2712566,Na2ScTaSi2SO12,-7.8983530195,-2.8887399782000003,0.1119622724,0.1119622724,GGA,Cc,A2B12CDE2F_mC76_9_2a_12a_a_a_2a_a:Na-O-S-Sc-Si-Ta,114.0,"Invalid WP multiplicities - A2B12CDE2F_mC76_9_2a_72a_a_a_12a_a:Na-O-S-Sc-Si-Ta, expected Na2ScTaSi12SO72 to be Na2ScTaSi2SO12" +mp-2716419,Na10Sc2Ta6Si11SO48,-8.1716634748,-3.0653447151,0.044939877,0.044939877,GGA,P1,A10B48CD2E11F6_aP234_1_30a_144a_3a_6a_33a_18a:Na-O-S-Sc-Si-Ta,234.0,A10B48CD2E11F6_aP234_1_30a_144a_3a_6a_33a_18a:Na-O-S-Sc-Si-Ta +mp-2715175,Na14Sc6Ta2Si9(SO16)3,-7.5494031933,-2.9286227786000003,0.072587371,0.072587371,GGA,P1,A14B48C3D6E9F2_aP246_1_42a_144a_9a_18a_27a_6a:Na-O-S-Sc-Si-Ta,246.0,A14B48C3D6E9F2_aP246_1_42a_144a_9a_18a_27a_6a:Na-O-S-Sc-Si-Ta +mp-2715983,Na6Sc6Ta2Si5S7O48,-7.6776008185,-2.7699208319,0.0840356709,0.0840356709,GGA,P1,A6B48C7D6E5F2_aP222_1_18a_144a_21a_18a_15a_6a:Na-O-S-Sc-Si-Ta,222.0,A6B48C7D6E5F2_aP222_1_18a_144a_21a_18a_15a_6a:Na-O-S-Sc-Si-Ta +mp-2714100,Na10Sc6Ta2Si7S5O48,-7.620397245799999,-2.8635234444,0.0857840865,0.0857840865,GGA,P1,A10B48C5D6E7F2_aP234_1_30a_144a_15a_18a_21a_6a:Na-O-S-Sc-Si-Ta,234.0,A10B48C5D6E7F2_aP234_1_30a_144a_15a_18a_21a_6a:Na-O-S-Sc-Si-Ta +mp-2716405,Na10Sc7TaSi6(SO8)6,-7.4948936335,-2.8253810717,0.076272698,0.076272698,GGA,P1,A10B48C6D7E6F_aP234_1_30a_144a_18a_21a_18a_3a:Na-O-S-Sc-Si-Ta,234.0,A10B48C6D7E6F_aP234_1_30a_144a_18a_21a_18a_3a:Na-O-S-Sc-Si-Ta +mp-2713846,Na2Sc3Ta5Si6(SO8)6,-8.1903353567,-2.8225780485,0.0644969555,0.0644969555,GGA,P1,A2B48C6D3E6F5_aP210_1_6a_144a_18a_9a_18a_15a:Na-O-S-Sc-Si-Ta,210.0,A2B48C6D3E6F5_aP210_1_6a_144a_18a_9a_18a_15a:Na-O-S-Sc-Si-Ta +mp-2716160,Na2Sc4Ta4Si5S7O48,-8.0364235832,-2.7660116563,0.0761495775,0.0761495775,GGA,P1,A2B48C7D4E5F4_aP210_1_6a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Ta,210.0,A2B48C7D4E5F4_aP210_1_6a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Ta +mp-2713398,ScTaSi(SO6)2,-8.0573307633,-2.6897584672,0.0749353503,0.0749353503,GGA,Cc,A12B2CDE_mC204_9_36a_6a_3a_3a_3a:O-S-Sc-Si-Ta,102.0,"Invalid WP multiplicities - A12B2CDE_mC204_9_60a_9a_3a_3a_3a:O-S-Sc-Si-Ta, expected ScTaSiS3O20 to be ScTaSi(SO6)2" +mp-2716452,Na2Sc6Ta2Si3(S3O16)3,-7.7696646458,-2.6939434814,0.0498491359,0.0498491359,GGA,P1,A2B48C9D6E3F2_aP210_1_6a_144a_27a_18a_9a_6a:Na-O-S-Sc-Si-Ta,210.0,A2B48C9D6E3F2_aP210_1_6a_144a_27a_18a_9a_6a:Na-O-S-Sc-Si-Ta +mp-2714578,Na14Sc4Ta4Si11SO48,-7.8222858261,-3.03530598,0.0382232561,0.0382232561,GGA,P1,A14B48CD4E11F4_aP246_1_42a_144a_3a_12a_33a_12a:Na-O-S-Sc-Si-Ta,246.0,A14B48CD4E11F4_aP246_1_42a_144a_3a_12a_33a_12a:Na-O-S-Sc-Si-Ta +mp-2715039,Na4ScTa3Si5SO24,-8.2197017064,-3.030768226,0.0513338552,0.0513338552,GGA,P1,A4B24CDE5F3_aP114_1_12a_72a_3a_3a_15a_9a:Na-O-S-Sc-Si-Ta,114.0,A4B24CDE5F3_aP114_1_12a_72a_3a_3a_15a_9a:Na-O-S-Sc-Si-Ta +mp-2713870,Na6Sc2Ta2Si5SO24,-7.8512037226,-2.9937233646,0.0660047738,0.0660047738,GGA,P1,A6B24CD2E5F2_aP120_1_18a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Ta,120.0,A6B24CD2E5F2_aP120_1_18a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Ta +mp-2716122,Na2Zr8Si5S7O48,-8.0467502126,-2.8389008843,0.024770421,0.024770421,GGA,P1,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Zr,210.0,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Zr +mp-2713208,HfZrSi(SO6)2,-8.2104843783,-2.8244036749,0.0011204437,0.0011204437,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Zr,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Zr +mp-2713849,Na6Zr4Si5SO24,-7.8529159252,-3.050177841,0.0473317685,0.0473317685,GGA,P1,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Zr,120.0,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Zr +mp-2712769,Na2HfZrSi2SO12,-8.0402955249,-3.0141223297,0.0793797867,0.0793797867,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Zr,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Zr +mp-2713064,Na6Hf4Zr4Si7S5O48,-8.0804625623,-2.9716079125,0.0607759646,0.0607759646,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Zr,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Zr +mp-2713150,Zr2Si(SO6)2,-8.0926032227,-2.7894336016,0.0,-0.0096713011,GGA,Cc,A12B2CD2_mC204_9_36a_6a_3a_6a:O-S-Si-Zr,102.0,"Invalid WP multiplicities - A12B2CD2_mC204_9_60a_9a_3a_6a:O-S-Si-Zr, expected Zr2SiS3O20 to be Zr2Si(SO6)2" +mp-2714141,Na10Hf4Zr4Si9(SO16)3,-7.9963246732,-3.048592858,0.0630192993,0.0630192993,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Zr,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Zr +mp-2713427,Na2Zr4Si3(SO8)3,-8.0108278156,-2.8930032081,0.0407814838,0.0407814838,GGA,P1,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Zr,108.0,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Zr +mp-1224121,HfZrS6,-6.9861980725,-1.5707494648,0.0037217213,0.0037217213,GGA,Pm,AB6C_mP8_6_a_3a3b_b:Hf-S-Zr,8.0,AB6C_mP8_6_a_3a3b_b:Hf-S-Zr +mp-2714084,Na10Zr8Si9(SO16)3,-7.8891491224,-3.0136987637,0.0669696946,0.0669696946,GGA,P1,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Zr,234.0,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Zr +mp-3938,ZrSiS,-7.3815538767,-1.3450643677,0.0,-0.1091777876,GGA,P4/nmm,ABC_tP6_129_c_a_c:S-Si-Zr,6.0,ABC_tP6_129_c_a_c:S-Si-Zr +mp-2714342,Na14Hf4Zr4Si11SO48,-7.9227811326,-3.1204528511,0.0236198892,0.0236198892,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Zr,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Zr +mp-1207472,Zr2SiS2,-5.553940476,0.6047833287000001,2.1313004993,2.1313004993,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:S-Si-Zr,5.0,A2BC2_tP5_123_g_a_g:S-Si-Zr +mp-2713182,Na2Hf2Zr2Si3(SO8)3,-8.1267489645,-2.930619446,0.0372507342,0.0372507342,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Zr,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Zr +mp-2714386,Na14Zr8Si11SO48,-7.8172158669,-3.0836431171,0.0279936806,0.0279936806,GGA,P1,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Zr,246.0,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Zr +mp-2716265,Na2Hf4Zr4Si5S7O48,-8.165200483,-2.8768089603,0.0219217042,0.0219217042,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Zr,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Zr +mp-2712744,Na2Zr2Si2SO12,-7.9293535228,-2.9773639276,0.085577003,0.085577003,GGA,Cc,A2B12CD2E2_mC76_9_2a_12a_a_2a_2a:Na-O-S-Si-Zr,114.0,"Invalid WP multiplicities - A2B12CD2E2_mC76_9_2a_72a_a_12a_6a:Na-O-S-Si-Zr, expected Na2Zr6Si12SO72 to be Na2Zr2Si2SO12" +mp-2716347,Na4HfZr(SiO4)3,-7.8863856941,-3.1515661961,0.0033413396,0.0033413396,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Zr,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Zr +mp-2713809,Na6Hf2Zr2Si5SO24,-7.9603380375,-3.0871255333,0.0416911628,0.0416911628,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Zr,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Zr +mp-2713014,Na6Zr8Si7S5O48,-7.9704933574,-2.9378272698,0.062280896,0.062280896,GGA,P1,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Zr,222.0,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Zr +mp-2716236,Na4ZrAlSi2PO12,-7.4087718183,-2.9703155928,0.060841095,0.060841095,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Al-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Al-Na-O-P-Si-Zr, expected Na19ZrAlSi12PO72 to be Na4ZrAlSi2PO12" +mp-2715583,Na7Al4SiP5O24,-7.1570681289,-2.8777427629,0.024351698,0.024351698,GGA,P1,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:Al-Na-O-P-Si,123.0,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:Al-Na-O-P-Si +mp-2713598,Na2ZrAl(PO4)3,-7.753918228,-2.9887340647,0.0343773016,0.0343773016,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Al-Na-O-P-Zr,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Al-Na-O-P-Zr, expected Na2ZrAl(PO4)18 to be Na2ZrAl(PO4)3" +mp-2715498,Na3ZrAlSi(PO6)2,-7.5749839428,-2.9813319468,0.0555386236,0.0555386236,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Al-Na-O-P-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Al-Na-O-P-Si-Zr, expected Na14Zr3Al3Si3(P5O36)2 to be Na3ZrAlSi(PO6)2" +mp-2715339,Na3ZrAlSi(PO6)2,-7.572831499999999,-2.9791795041,0.0576910663,0.0576910663,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Al-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Al-Na-O-P-Si-Zr, expected Na3ZrAlSi(PO15)2 to be Na3ZrAlSi(PO6)2" +mp-2714272,Na5Zr2Al2SiP5O24,-7.6651943168,-2.9879753676,0.0428935437,0.0428935437,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Zr +mp-2713465,Na5ZrAl3(PO4)6,-7.486709208,-2.9329297543,0.0226913893,0.0226913893,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Zr,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Zr +mp-2716513,Na3Zr3Al(PO4)6,-8.0640143797,-3.0759982254,0.0182514838,0.0182514838,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Zr,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Zr +mp-2714518,Na4Al2Si(PO6)2,-7.0843048978,-2.8750934496,0.0370858008,0.0370858008,GGA,Cc,A2B4C12D2E_mC252_9_6a_12a_36a_6a_3a:Al-Na-O-P-Si,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC252_9_6a_21a_72a_10a_3a:Al-Na-O-P-Si, expected Na21Al6Si3(P5O36)2 to be Na4Al2Si(PO6)2" +mp-5168,AlSiP3,-5.3939177665,-0.3117574905,0.0072239125,0.0072239125,GGA,Pnma,AB3C_oP20_62_a_cd_c:Al-P-Si,20.0,"Invalid WP multiplicities - AB3C_oP20_62_a_2c2d_c:Al-P-Si, expected AlSiP6 to be AlSiP3" +mp-2714994,Na7Zr2Al2Si3(PO8)3,-7.5017788614,-2.987617382,0.0481438465,0.0481438465,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Zr,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Zr +mp-2714408,Na2TaNb(SiO4)3,-8.3639118334,-3.0881038396,0.0166766396,0.0166766396,GGA,P1,A2BC12D3E_aP114_1_12a_6a_72a_18a_6a:Na-Nb-O-Si-Ta,114.0,A2BC12D3E_aP114_1_12a_6a_72a_18a_6a:Na-Nb-O-Si-Ta +mp-1218052,Ta5Nb5Si6,-9.4736941094,-0.5769865138,0.0448961597,0.0448961597,GGA,Cm,A5B6C5_mC32_8_5a_4ab_3ab:Nb-Si-Ta,,A5B6C5_mC32_8_5a_4ab_3ab:Nb-Si-Ta +mp-2714577,Na3Ta2Nb2Si5PO24,-8.4686631916,-3.0863344633,0.0138888883,0.0138888883,GGA,P1,A3B2C24DE5F2_aP111_1_9a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Ta,111.0,A3B2C24DE5F2_aP111_1_9a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Ta +mp-2715709,TaNbSi(PO6)2,-8.7877587351,-3.0482722499,0.0159364873,0.0159364873,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Nb-O-P-Si-Ta,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Nb-O-P-Si-Ta +mp-2714175,NaNb4Si3(PO8)3,-8.5039760922,-2.9907150598000003,0.0183034597,0.0183034597,GGA,P1,AB4C24D3E3_aP105_1_3a_12a_72a_9a_9a:Na-Nb-O-P-Si,105.0,AB4C24D3E3_aP105_1_3a_12a_72a_9a_9a:Na-Nb-O-P-Si +mp-2714321,Na3Nb4Si5PO24,-8.3024492395,-3.0150649756,0.022846007,0.022846007,GGA,P1,A3B4C24DE5_aP111_1_9a_12a_72a_3a_15a:Na-Nb-O-P-Si,111.0,A3B4C24DE5_aP111_1_9a_12a_72a_3a_15a:Na-Nb-O-P-Si +mp-2713379,NaTaNbSi2PO12,-8.5777554306,-3.0829881493,0.009061344,0.009061344,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Na-Nb-O-P-Si-Ta,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Na-Nb-O-P-Si-Ta +mp-2713518,NaNb2Si2PO12,-8.411176983,-3.0139915121,0.0127106898,0.0127106898,GGA,Cc,AB2C12DE2_mC72_9_a_2a_12a_a_2a:Na-Nb-O-P-Si,108.0,"Invalid WP multiplicities - AB2C12DE2_mC72_9_a_6a_72a_a_7a:Na-Nb-O-P-Si, expected NaNb6Si7PO72 to be NaNb2Si2PO12" +mp-2714262,NaTa2Nb2Si3(PO8)3,-8.6779712918,-3.0643403971,0.0164804072,0.0164804072,GGA,P1,AB2C24D3E3F2_aP105_1_3a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Ta,105.0,AB2C24D3E3F2_aP105_1_3a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Ta +mp-731452,Li6Ti8Ni(PO5)8,-8.1096938486,-3.0053830785,0.0029007125,0.0029007125,GGA+U,P-1,A6BC40D8E8_aP63_2_abcdef_g_20i_4i_4i:Li-Ni-O-P-Ti,63.0,"Invalid WP multiplicities - A6BC40D8E8_aP63_2_abcdef_g_39i_8i_8i:Li-Ni-O-P-Ti, expected Li6Ti16Ni(P8O39)2 to be Li6Ti8Ni(PO5)8" +mp-725430,Li2Ti4Ni(PO5)4,-8.1814087132,-2.9631204961,0.0049250973,0.0049250973,GGA+U,P-1,A2BC20D4E4_aP31_2_ce_b_10i_2i_2i:Li-Ni-O-P-Ti,31.0,"Invalid WP multiplicities - A2BC20D4E4_aP31_2_ce_b_19i_3i_3i:Li-Ni-O-P-Ti, expected Li2Ti6Ni(P3O19)2 to be Li2Ti4Ni(PO5)4" +mp-1222845,Li2Ti4Ni(PO5)4,-8.1765049661,-2.958216749,0.0098288444,0.0098288444,GGA+U,P-1,A2BC20D4E4_aP31_2_bc_e_10i_2i_2i:Li-Ni-O-P-Ti,31.0,"Invalid WP multiplicities - A2BC20D4E4_aP31_2_bc_e_20i_4i_4i:Li-Ni-O-P-Ti, expected Li2Ti8Ni(PO5)8 to be Li2Ti4Ni(PO5)4" +mp-532743,Li2Ti4Ni(PO5)4,-8.1761678526,-2.9578796354,0.0101659579,0.0101659579,GGA+U,P2_1/c,A2BC20D4E4_mP62_14_e_a_10e_2e_2e:Li-Ni-O-P-Ti,62.0,"Invalid WP multiplicities - A2BC20D4E4_mP62_14_e_a_38e_6e_6e:Li-Ni-O-P-Ti, expected Li2Ti12Ni(P3O19)4 to be Li2Ti4Ni(PO5)4" +mp-767151,Li2CuNi(PO4)2,-6.8502145868,-2.2718357449,0.0294568002,0.0294568002,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Cu-Li-Ni-O-P,28.0,"Invalid WP multiplicities - AB2CD8E2_mP28_11_e_ab_e_7e4f_3e:Cu-Li-Ni-O-P, expected Li2CuNi(PO5)3 to be Li2CuNi(PO4)2" +mp-753889,Li4CuNi3(PO4)4,-6.9543683382,-2.3159562817,0.0177326497,0.0177326497,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cu-Li-Ni-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cu-Li-Ni-O-P +mp-774936,Ti3CuNi2(PO4)6,-7.9356529022,-2.6427001192,0.0376685063,0.0376685063,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cu-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Cu-Ni-O-P-Ti, expected Ti3CuNi2(PO11)6 to be Ti3CuNi2(PO4)6" +mp-776613,Li4TiCu2Ni3(PO4)6,-7.1344998755,-2.3277411012,0.0987651098,0.0987651098,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cu-Li-Ni-O-P-Ti,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cu-Li-Ni-O-P-Ti +mp-757337,Li2Ti3Ni(PO4)6,-7.8767989942,-2.7522211449,0.0423546031,0.0423546031,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Li-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Li-Ni-O-P-Ti, expected Li2Ti3Ni(PO10)6 to be Li2Ti3Ni(PO4)6" +mp-1216916,TiCu2NiO4,-6.793670215,-1.5860706048000002,0.2792036231,0.2792036231,GGA+U,P2/m,A2BC4D_mP8_10_bd_c_mn_h:Cu-Ni-O-Ti,8.0,"Invalid WP multiplicities - A2BC4D_mP8_10_bg_c_2m2n_e:Cu-Ni-O-Ti, expected TiCu2NiO8 to be TiCu2NiO4" +mp-1216924,TiCu2NiO4,-6.86975738,-1.6621577698,0.2031164581,0.2031164581,GGA+U,R-3m,A2BC4D_hR24_166_c_a_2c_b:Cu-Ni-O-Ti,8.0,"Invalid WP multiplicities - A2BC4D_hR24_166_c_a_4c_b:Cu-Ni-O-Ti, expected TiCu2NiO8 to be TiCu2NiO4" +mp-757757,Li4Cu3Ni(PO4)4,-6.7460226868,-2.2276770595,0.0412190992,0.0412190992,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cu-Li-Ni-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cu-Li-Ni-O-P +mp-770943,Li4TiNi5(PO4)6,-7.2820005467,-2.3911952719,0.0806658799,0.0806658799,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Ti,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Ti +mp-771939,LiTi2Ni(PO5)2,-8.0464784244,-2.8106324428,0.0646617258,0.0646617258,GGA+U,P2_1/c,ABC10D2E2_mP32_14_a_b_5e_e_e:Li-Ni-O-P-Ti,32.0,"Invalid WP multiplicities - ABC10D2E2_mP32_14_a_d_13e_e_e:Li-Ni-O-P-Ti, expected LiTi2Ni(PO13)2 to be LiTi2Ni(PO5)2" +mp-760136,Li4TiCu3(PO4)4,-6.9802210532,-2.3863270211,0.0976058552,0.0976058552,GGA,P1,A3B4C16D4E_aP28_1_3a_4a_16a_4a_a:Cu-Li-O-P-Ti,28.0,A3B4C16D4E_aP28_1_3a_4a_16a_4a_a:Cu-Li-O-P-Ti +mp-1177279,Li4TiCu3(PO4)4,-6.9968967082,-2.4030026761,0.0809302002,0.0809302002,GGA,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Ti,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Cu-Li-O-P-Ti +mp-850943,Li6TiNi3(PO4)6,-7.1511967927,-2.4539522086,0.0835287065,0.0835287065,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Ti,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Ti +mp-777517,Ti3Cu2Ni(PO4)6,-7.8517302625,-2.6054699797,0.0476903546,0.0476903546,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_2b_3a:Cu-Ni-O-P-Ti, expected Ti3Cu2Ni(PO11)6 to be Ti3Cu2Ni(PO4)6" +mp-1227334,Ca8Si4(O5F)3,-7.4282520745,-3.5055574501,0.0289934762,0.0289934762,GGA,Pc,A8B3C15D4_mP60_7_8a_3a_15a_4a:Ca-F-O-Si,60.0,"Invalid WP multiplicities - A8B3C15D4_mP60_7_12a_4a_22a_6a:Ca-F-O-Si, expected Ca6Si3O11F2 to be Ca8Si4(O5F)3" +mp-1201156,Ca2SiO4F,-7.1860742019,-3.2942302516,0.1097288623,0.1097288623,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:Ca-F-O-Si,32.0,A2BC4D_mP32_14_2e_e_4e_e:Ca-F-O-Si +mp-1227767,Ca9Si4O17F,-7.493149445,-3.4364766031,0.0155740548,0.0155740548,GGA,P2_1,A9BC17D4_mP62_4_9a_a_17a_4a:Ca-F-O-Si,62.0,"Invalid WP multiplicities - A9BC17D4_mP62_4_17a_a_33a_8a:Ca-F-O-Si, expected Ca17Si8O33F to be Ca9Si4O17F" +mp-1214083,Ca3SiO4F,-6.9605384372,-3.2782771614,0.189041118,0.189041118,GGA,Pnma,A3BC4D_oP36_62_cd_c_2cd_c:Ca-F-O-Si,36.0,A3BC4D_oP36_62_cd_c_2cd_c:Ca-F-O-Si +mp-1227429,Ca10Si6F,-4.0168448559,-0.8098221531,0.0,-0.0152886765,GGA,I-42m,A10BC6_tI34_121_d2i_a_ci:Ca-F-Si,17.0,"Invalid WP multiplicities - A10BC6_tI34_121_d3i_a_ci:Ca-F-Si, expected Ca14Si6F to be Ca10Si6F" +mp-560163,Ca4Si2O7F2,-7.4524106877,-3.6308897214,0.0,-0.0136671269,GGA,P2_1/c,A4B2C7D2_mP60_14_4e_2e_7e_2e:Ca-F-O-Si,60.0,"Invalid WP multiplicities - A4B2C7D2_mP60_14_12e_5e_24e_4e:Ca-F-O-Si, expected Ca12Si4O24F5 to be Ca4Si2O7F2" +mp-1182805,Ca13Si10(O17F5)2,-7.0792935676,-3.0848430512,0.2125345839,0.2125345839,GGA,P-1,A13B10C34D10_aP67_2_a6i_5i_17i_5i:Ca-F-O-Si,67.0,"Invalid WP multiplicities - A13B10C34D10_aP67_2_a12i_8i_32i_8i:Ca-F-O-Si, expected Ca25Si16(O4F)16 to be Ca13Si10(O17F5)2" +mp-560036,Li2Ca3Be3Si3(O6F)2,-7.366115111,-3.3456326899,0.0,-0.0121081503,GGA,I2_13,A3B3C2D2E12F3_cI200_199_c_2b_2a_2a_4c_c:Be-Ca-F-Li-O-Si,100.0,"Invalid WP multiplicities - A3B3C2D2E12F3_cI200_199_c_7b_4a_4a_35c_c:Be-Ca-F-Li-O-Si, expected Li8Ca21Be6Si6(O105F4)2 to be Li2Ca3Be3Si3(O6F)2" +mp-1194692,Na2ZrSi6(HO3)6,-7.3207434845,-2.6800946218,0.0074159156,0.0074159156,GGA,Pbcm,A6B2C18D6E_oP132_57_3e_cd_4d7e_3e_c:H-Na-O-Si-Zr,132.0,A6B2C18D6E_oP132_57_3e_cd_4d7e_3e_c:H-Na-O-Si-Zr +mp-1221150,Na8Zr3Si12SnO40,-7.4824148395,-2.7448485754,0.1513599321,0.1513599321,GGA,P1,A8B40C12DE3_aP64_1_8a_40a_12a_a_3a:Na-O-Si-Sn-Zr,64.0,A8B40C12DE3_aP64_1_8a_40a_12a_a_3a:Na-O-Si-Sn-Zr +mp-1210375,Na2ZrSi4H4O13,-7.3327128946,-2.7172178628,0.0008443512,0.0008443512,GGA,P2_1/c,A4B2C13D4E_mP48_14_2e_e_a6e_2e_d:H-Na-O-Si-Zr,48.0,A4B2C13D4E_mP48_14_2e_e_a6e_2e_b:H-Na-O-Si-Zr +mp-1221041,Na8Zr3Si16Sn(H4O13)4,-7.23053778,-2.6623149229000003,0.0,-0.0012042543,GGA,P-1,A16B8C52D16EF3_aP96_2_8i_4i_26i_8i_b_cdh:H-Na-O-Si-Sn-Zr,96.0,"Invalid WP multiplicities - A16B8C52D16EF3_aP96_2_16i_8i_50i_16i_b_cdh:H-Na-O-Si-Sn-Zr, expected Na16Zr3Si32Sn(H8O25)4 to be Na8Zr3Si16Sn(H4O13)4" +mp-2716539,Na4ZrSi3SnO12,-7.3137171638,-2.8621175312,0.01091353,0.01091353,GGA,P3,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Sn-Zr,126.0,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Sn-Zr +mp-2217136,MgV2(Cl2O)2,-5.9714137111,-1.8541230164,0.3645154594,0.3645154594,GGA+U,P1,A4BC2D2_aP9_1_4a_a_2a_2a:Cl-Mg-O-V,9.0,A4BC2D2_mC18_8_4a_a_2a_2a:Cl-Mg-O-V +mp-2223059,MgV2(Cl2O)2,-6.10009851,-1.9828078153,0.2358306606,0.2358306606,GGA+U,Cm,A4BC2D2_mC18_8_4a_a_2a_2a:Cl-Mg-O-V,9.0,A4BC2D2_mC18_8_4a_a_2a_2a:Cl-Mg-O-V +mp-2228104,MgV2(Cl2O)2,-6.1786069878,-2.0613162931,0.1573221828,0.1573221828,GGA+U,C2/m,A4BC2D2_mC18_12_2i_a_i_i:Cl-Mg-O-V,,A4BC2D2_mC18_12_2i_a_i_i:Cl-Mg-O-V +mp-23004,CsMgCl3,-3.930525774,-2.3222672936,0.0,-0.030987614,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Cl-Cs-Mg,10.0,A3BC_hP10_194_h_c_a:Cl-Cs-Mg +mp-1028152,CsMg14Mn,-1.7061104869,0.3227231609,0.3331487848,0.3331487848,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Cs-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Cs-Mg-Mn, expected CsMg26Mn to be CsMg14Mn" +mp-1038041,CsMg30MnO32,-6.2500846836,-2.8694619035,0.1079836514,0.1079836514,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cs-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cs-Mg-Mn-O, expected CsMg90MnO80 to be CsMg30MnO32" +mp-1038250,CsMg30MnO32,-6.2371919059,-2.8565691259,0.120876429,0.120876429,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cs-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cs-Mg-Mn-O, expected CsMg110MnO72 to be CsMg30MnO32" +mp-1194554,CsMnCl3O2,-4.7506582789,-1.108314698,0.5266485591,0.5266485591,GGA+U,Pcca,A3BCD2_oP28_54_df_e_c_f:Cl-Cs-Mn-O,28.0,A3BCD2_oP28_54_df_e_c_f:Cl-Cs-Mn-O +mp-1036562,CsMg14MnO16,-6.1483402153,-2.6605790358,0.2402717746,0.2402717746,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cs-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cs-Mg-Mn-O, expected CsMg18MnO20 to be CsMg14MnO16" +mp-1036441,CsMg14MnO16,-6.1473619341,-2.6596007546,0.2412500558,0.2412500558,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cs-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cs-Mg-Mn-O, expected CsMg30MnO32 to be CsMg14MnO16" +mp-1080610,Cs2Mn(Cl2O)2,-4.6057679111,-1.4679519001,0.3259593762,0.3259593762,GGA+U,P-1,A4B2CD2_aP9_2_2i_i_a_i:Cl-Cs-Mn-O,9.0,A4B2CD2_aP9_2_2i_i_a_i:Cl-Cs-Mn-O +mp-568909,Cs2MgCl4,-3.8430680629,-2.3023207151,0.0007131014,0.0007131014,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Cl-Cs-Mg,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_8c5d_4c_c:Cl-Cs-Mg, expected Cs4MgCl18 to be Cs2MgCl4" +mp-2224833,MgVCl2O,-5.736593374,-1.8710037438,0.3334103041,0.3334103041,GGA+U,P1,A2BCD_aP5_1_2a_a_a_a:Cl-Mg-O-V,5.0,A2BCD_aP5_1_2a_a_a_a:Cl-Mg-O-V +mp-2227442,MgVCl2O,-5.559225738,-1.6936361078000002,0.5107779401,0.5107779401,GGA+U,Cm,A2BCD_mC10_8_2a_a_a_a:Cl-Mg-O-V,5.0,A2BCD_aP5_1_2a_a_a_a:Cl-Mg-O-V +mp-2227244,MgVCl2O,-5.897150852,-2.0315612218,0.1728528261,0.1728528261,GGA+U,Imm2,A2BCD_oI10_44_2a_b_a_b:Cl-Mg-O-V,5.0,A2BCD_oI10_44_2a_b_a_b:Cl-Mg-O-V +mp-568137,Cs3Mg2Cl7,-3.8572607317,-2.2883837453,0.02266402,0.02266402,GGA,I4/mmm,A7B3C2_tI24_139_aeg_be_e:Cl-Cs-Mg,12.0,"Invalid WP multiplicities - A7B3C2_tI24_139_a2e3g_be_e:Cl-Cs-Mg, expected Cs3Mg2Cl17 to be Cs3Mg2Cl7" +mp-1023121,CsMg6Mn,-2.0017322156,0.4556550299,0.4645912789,0.4645912789,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Cs-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Cs-Mg-Mn, expected CsMg12Mn to be CsMg6Mn" +mp-1099119,CsMg6Mn,-2.011952815,0.4454344305,0.4543706796,0.4543706796,GGA,Amm2,AB6C_oC16_38_a_abde_b:Cs-Mg-Mn,8.0,AB6C_oC16_38_a_abde_b:Cs-Mg-Mn +mp-573229,Cs2MnV2(ClO3)2,-7.1098599373,-2.3023339555,0.0076452277,0.0076452277,GGA+U,Cmm2,A2B2CD6E2_oC26_35_ab_d_a_c2d_d:Cl-Cs-Mn-O-V,26.0,A2B2CD6E2_oC26_35_ab_d_a_c2d_d:Cl-Cs-Mn-O-V +mp-648179,Cs3Mn3V4O16,-7.9183221212,-2.3162107114,0.0,-0.0235778458,GGA+U,P-1,A3B3C16D4_aP26_2_ai_ei_8i_2i:Cs-Mn-O-V,26.0,"Invalid WP multiplicities - A3B3C16D4_aP26_2_a2i_ei_16i_4i:Cs-Mn-O-V, expected Cs5Mn3V8O32 to be Cs3Mn3V4O16" +mp-561100,CsMn2V2ClO7,-7.9898340158,-2.3080953438,0.0026540712,0.0026540712,GGA+U,Pma2,ABC2D7E2_oP26_28_a_c_ab_c3d_d:Cl-Cs-Mn-O-V,26.0,"Invalid WP multiplicities - ABC2D7E2_oP26_28_a_c_2a2b_c3d_d:Cl-Cs-Mn-O-V, expected CsMn4V2ClO7 to be CsMn2V2ClO7" +mp-2226471,Cs2MgMnV2(ClO3)2,-6.821558155,-2.2431211683,0.2208866102,0.2208866102,GGA+U,P2,A2B2CDE6F2_mP14_3_ac_e_b_a_bd2e_e:Cl-Cs-Mg-Mn-O-V,14.0,"Invalid WP multiplicities - A2B2CDE6F2_mP14_3_ad_e_b_a_bc4e_e:Cl-Cs-Mg-Mn-O-V, expected Cs2MgMnV2(ClO5)2 to be Cs2MgMnV2(ClO3)2" +mp-1224367,HfTaSi,-9.3743443142,-0.2942494175,0.3329848242,0.3329848242,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Hf-Si-Ta,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Hf-Si-Ta, expected Hf3(TaSi)2 to be HfTaSi" +mp-2713916,NaHf3Ta(PO4)6,-8.7570266205,-3.2069633598,0.0036610621,0.0036610621,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2c_24d_6d_2ab:Hf-Na-O-P-Ta,105.0,A3BC24D6E_hP105_143_2a3b4c_a2c_24d_6d_2ab:Hf-Na-O-P-Ta +mp-2715675,NaHfTaSi(PO6)2,-8.6674291848,-3.1813358775,0.0235098994,0.0235098994,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Hf-Na-O-P-Si-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Hf-Na-O-P-Si-Ta, expected NaHfTaSiP3O20 to be NaHfTaSi(PO6)2" +mp-2715287,Na3HfTa(SiO4)3,-8.2399903254,-3.1690522671,0.007530895,0.007530895,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Hf-Na-O-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Hf-Na-O-Si-Ta, expected Na14Hf3Ta3(SiO4)18 to be Na3HfTa(SiO4)3" +mp-2715297,Na3HfTa(SiO4)3,-8.2420775452,-3.171139487,0.0054436752,0.0054436752,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Hf-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Hf-Na-O-Si-Ta, expected Na3HfTa(SiO5)6 to be Na3HfTa(SiO4)3" +mp-1212512,Hf27(Si3P5)2,-9.1793017463,-0.9111846054,0.0615071989,0.0615071989,GGA,Immm,A27B10C6_oI86_71_a2fg5n_eghn_en:Hf-P-Si,43.0,A27B10C6_oI86_71_a2fg5n_eghn_en:Hf-P-Si +mp-2713724,HfTa(PO4)3,-8.896805155,-3.1665028776,0.0,-0.0140334078,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Hf-O-P-Ta,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Hf-O-P-Ta, expected HfTa(PO12)3 to be HfTa(PO4)3" +mp-2714052,Na5Hf4Si3(PO8)3,-8.2798359658,-3.2111751128,0.0104494547,0.0104494547,GGA,P1,A4B5C24D3E3_aP117_1_12a_15a_72a_9a_9a:Hf-Na-O-P-Si,117.0,A4B5C24D3E3_aP117_1_12a_15a_72a_9a_9a:Hf-Na-O-P-Si +mp-2712969,Na3Hf2Ta2Si3(PO8)3,-8.5616583547,-3.1877691687,0.0189292683,0.0189292683,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Hf-Na-O-P-Si-Ta,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Hf-Na-O-P-Si-Ta +mp-2715642,NaHf2Ta2SiP5O24,-8.7833394579,-3.1786303651,0.0182094738,0.0182094738,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-Si-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-Si-Ta +mp-2714403,Na7Hf4Si5PO24,-8.0844646754,-3.1979560193,0.0021722808,0.0021722808,GGA,P1,A4B7C24DE5_aP123_1_12a_21a_72a_3a_15a:Hf-Na-O-P-Si,123.0,A4B7C24DE5_aP123_1_12a_21a_72a_3a_15a:Hf-Na-O-P-Si +mp-2713077,Na7Hf3Ta(SiO4)6,-8.1104073484,-3.1772498112,0.0053953939,0.0053953939,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Hf-Na-O-Si-Ta,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Hf-Na-O-Si-Ta +mp-2714945,Na2HfTaSi2PO12,-8.4406964748,-3.1731059302,0.0242999729,0.0242999729,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:Hf-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:Hf-Na-O-P-Si-Ta, expected Na2HfTaSi12PO72 to be Na2HfTaSi2PO12" +mp-2716426,Na5Hf2Ta2Si5PO24,-8.336480331,-3.1697372153,0.018852694,0.018852694,GGA,P1,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Hf-Na-O-P-Si-Ta,117.0,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Hf-Na-O-P-Si-Ta +mp-2712934,Na3Hf4SiP5O24,-8.5057179151,-3.2352127358,0.0063060166,0.0063060166,GGA,P1,A4B3C24D5E_aP111_1_12a_9a_72a_15a_3a:Hf-Na-O-P-Si,111.0,A4B3C24D5E_aP111_1_12a_9a_72a_15a_3a:Hf-Na-O-P-Si +mp-2712619,Na2Hf2Si(PO6)2,-8.3898280976,-3.2229009279,0.0084089665,0.0084089665,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:Hf-Na-O-P-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:Hf-Na-O-P-Si, expected Na6Hf6Si3(P5O36)2 to be Na2Hf2Si(PO6)2" +mp-2713519,Na5HfTa3(SiO4)6,-8.3792958245,-3.1635115774,0.0066986679,0.0066986679,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-Si-Ta,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-Si-Ta +mp-2713249,Na3Hf2Si2PO12,-8.1877313591,-3.212423507,0.0,-0.0046865127,GGA,Cc,A2B3C12DE2_mC80_9_2a_3a_12a_a_2a:Hf-Na-O-P-Si,80.0,"Invalid WP multiplicities - A2B3C12DE2_mC80_9_5a_3a_30a_a_5a:Hf-Na-O-P-Si, expected Na3Hf5Si5PO30 to be Na3Hf2Si2PO12" +mp-2713308,Na3Hf2Si2PO12,-8.1844367099,-3.2091288578,0.0032946492,-0.0013918635,GGA,Cc,A2B3C12DE2_mC80_9_2a_3a_12a_a_2a:Hf-Na-O-P-Si,120.0,"Invalid WP multiplicities - A2B3C12DE2_mC80_9_6a_13a_72a_a_12a:Hf-Na-O-P-Si, expected Na13Hf6Si12PO72 to be Na3Hf2Si2PO12" +mp-774339,Fe3Ni2Sb(PO4)6,-7.6119385408,-2.2702806981,0.0171002057,0.0171002057,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Ni-O-P-Sb, expected Fe3Ni2Sb(PO11)6 to be Fe3Ni2Sb(PO4)6" +mp-1043176,MgNiSbP2O9,-7.10041923,-2.3249748454,0.1323932637,0.1323932637,GGA+U,Pnma,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Sb,56.0,ABC9D2E_oP56_62_c_a_5c2d_2c_c:Mg-Ni-O-P-Sb +mp-1233545,MgFe3Ni2Sb(PO4)6,-7.50799978,-2.2674602559,0.1080664953,0.1080664953,GGA+U,P1,A3BC2D24E6F_aP37_1_3a_a_2a_24a_6a_a:Fe-Mg-Ni-O-P-Sb,37.0,A3BC2D24E6F_aP37_1_3a_a_2a_24a_6a_a:Fe-Mg-Ni-O-P-Sb +mp-1233991,MgFe3Ni2Sb(PO4)6,-7.5360116135,-2.2954720895,0.0800546618,0.0800546618,GGA+U,P1,A3BC2D24E6F_aP37_1_3a_a_2a_24a_6a_a:Fe-Mg-Ni-O-P-Sb,37.0,A3BC2D24E6F_aP37_1_3a_a_2a_24a_6a_a:Fe-Mg-Ni-O-P-Sb +mp-1233744,MgFe3Ni2Sb(PO4)6,-7.4770787511,-2.236539227,0.1389875242,0.1389875242,GGA+U,R3,A3BC2D24E6F_hR111_146_3a_a_2a_8b_2b_a:Fe-Mg-Ni-O-P-Sb,37.0,"Invalid WP multiplicities - A3BC2D24E6F_hR111_146_3a_a_2a_22b_2b_a:Fe-Mg-Ni-O-P-Sb, expected MgFe3Ni2Sb(PO11)6 to be MgFe3Ni2Sb(PO4)6" +mp-1233860,MgFe3Ni2Sb(PO4)6,-7.5068514035,-2.2663118795,0.1092148718,0.1092148718,GGA+U,R3,A3BC2D24E6F_hR111_146_3a_a_2a_8b_2b_a:Fe-Mg-Ni-O-P-Sb,37.0,"Invalid WP multiplicities - A3BC2D24E6F_hR111_146_3a_a_2a_22b_2b_a:Fe-Mg-Ni-O-P-Sb, expected MgFe3Ni2Sb(PO11)6 to be MgFe3Ni2Sb(PO4)6" +mp-1233872,MgFe3Ni2Sb(PO4)6,-7.4966618616,-2.2561223376,0.1194044137,0.1194044137,GGA+U,R3,A3BC2D24E6F_hR111_146_3a_a_2a_8b_2b_a:Fe-Mg-Ni-O-P-Sb,37.0,"Invalid WP multiplicities - A3BC2D24E6F_hR111_146_3a_a_2a_22b_2b_a:Fe-Mg-Ni-O-P-Sb, expected MgFe3Ni2Sb(PO11)6 to be MgFe3Ni2Sb(PO4)6" +mp-1234314,MgFe3Ni2Sb(PO4)6,-7.4975310727,-2.2569915486,0.1185352026,0.1185352026,GGA+U,R3,A3BC2D24E6F_hR111_146_3a_a_2a_8b_2b_a:Fe-Mg-Ni-O-P-Sb,37.0,"Invalid WP multiplicities - A3BC2D24E6F_hR111_146_3a_a_2a_22b_2b_a:Fe-Mg-Ni-O-P-Sb, expected MgFe3Ni2Sb(PO11)6 to be MgFe3Ni2Sb(PO4)6" +mp-1234431,MgFe3Ni2Sb(PO4)6,-7.5105346019,-2.2699950778,0.1055316734,0.1055316734,GGA+U,R3,A3BC2D24E6F_hR111_146_3a_a_2a_8b_2b_a:Fe-Mg-Ni-O-P-Sb,37.0,"Invalid WP multiplicities - A3BC2D24E6F_hR111_146_3a_a_2a_22b_2b_a:Fe-Mg-Ni-O-P-Sb, expected MgFe3Ni2Sb(PO11)6 to be MgFe3Ni2Sb(PO4)6" +mp-1178301,Fe3NiSb2(PO4)6,-7.5477696069,-2.2519766375,0.0687533718,0.0687533718,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_22b_2b_2a:Fe-Ni-O-P-Sb, expected Fe3NiSb2(PO11)6 to be Fe3NiSb2(PO4)6" +mp-777420,Fe2Ni3Sb(PO4)6,-7.4161020231,-2.149163195,0.0892961984,0.0892961984,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Ni-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Fe-Ni-O-P-Sb, expected Fe2Ni3Sb(P3O22)3 to be Fe2Ni3Sb(PO4)6" +mp-1043103,MgFeNiP2O9,-7.3799067098,-2.2943894702,0.0774307572,0.0774307572,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Fe-Mg-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Fe-Mg-Ni-O-P +mp-2712707,Na2Si2SnGeSO12,-6.8704730935,-2.3638941062,0.1438705453,0.1438705453,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Sn,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Sn +mp-2716376,Na4Si3SnGeO12,-6.855182967,-2.5904725142,0.0381979784,0.0381979784,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Sn,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Sn +mp-2712946,Na6Si7Sn4Ge4S5O48,-6.8691631466,-2.2939457914,0.1343470191,0.1343470191,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Sn,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Sn +mp-2713815,Na2Si3Sn2Ge2(SO8)3,-6.8693240063,-2.2216550405,0.1124265567,0.1124265567,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Sn,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Sn +mp-2716139,Na2Si5Sn4Ge4S7O48,-6.8592324473,-2.134971779,0.0942054827,0.0942054827,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Sn,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Sn +mp-2714032,Na10Si9Sn4Ge4(SO16)3,-6.8643158491000005,-2.4228553134,0.1264796843,0.1264796843,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Sn,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Sn +mp-1221151,Na4Sn(GeS3)2,-4.3748677315,-1.0391425054,0.0,-0.013989339,GGA,C2,A2B4C6D_mC26_5_c_2a2b_3c_a:Ge-Na-S-Sn,13.0,"Invalid WP multiplicities - A2B4C6D_mC26_5_c_2a2b_4c_a:Ge-Na-S-Sn, expected Na4Sn(GeS4)2 to be Na4Sn(GeS3)2" +mp-2713777,Na6Si5Sn2Ge2SO24,-6.8586794688,-2.4790814621,0.098875213,0.098875213,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Sn,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Sn +mp-2713382,SiSnGe(SO6)2,-6.8406826258,-2.0353248606,0.0827772223,0.0827772223,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Sn,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Sn +mp-2714448,Na14Si11Sn4Ge4SO48,-6.8597835682,-2.5390304062,0.0661517668,0.0661517668,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Sn,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Sn +mp-1223618,KNaCaCo5(SiO3)8,-7.7006854575,-2.6481057974,0.0235669772,0.0235669772,GGA+U,P1,AB5CDE24F8_aP40_1_a_5a_a_a_24a_8a:Ca-Co-K-Na-O-Si,40.0,AB5CDE24F8_aP40_1_a_5a_a_a_24a_8a:Ca-Co-K-Na-O-Si +mp-2713420,HfSiSn(SO6)2,-7.5813495744,-2.4622176224,0.030323896,0.030323896,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Sn,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Sn +mp-2716199,Na2Hf4Si5Sn4S7O48,-7.569318619,-2.5402487406,0.0526696871,0.0526696871,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Sn,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Sn +mp-2712864,Na6Hf4Si7Sn4S5O48,-7.5303876183,-2.6668372266,0.0829217346,0.0829217346,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Sn,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Sn +mp-2714572,Na14Hf4Si11Sn4SO48,-7.4380557538,-2.8570996077,0.0304552228,0.0304552228,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Sn,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Sn +mp-8725,HfSnS3,-6.7076757575,-1.4324536604,0.0,-0.009366691,GGA,Pnma,AB3C_oP20_62_c_3c_c:Hf-S-Sn,20.0,AB3C_oP20_62_c_3c_c:Hf-S-Sn +mp-2713196,Na2Hf2Si3Sn2(SO8)3,-7.5522937508,-2.6082824976,0.0691120745,0.0691120745,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Sn,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Sn +mp-2714160,Na10Hf4Si9Sn4(SO16)3,-7.4778506245,-2.7628433619,0.0806374649,0.0806374649,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Sn,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Sn +mp-2712532,Na2HfSi2SnSO12,-7.5030434192,-2.7157191069,0.1025955913,0.1025955913,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Sn,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Sn +mp-2713969,Na6Hf2Si5Sn2SO24,-7.4543321369,-2.8080260715,0.0593625774,0.0593625774,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Sn,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Sn +mp-2716570,Na4HfSi3SnO12,-7.4182003798,-2.8994822520000003,0.0049122344,0.0049122344,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Sn,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Sn +mp-15539,CaMn2Be3(SiO4)3,-8.147899102,-3.0438949266,0.0,-0.0030560681,GGA+U,P2_1/c,A3BC2D12E3_mP84_14_3e_e_2e_12e_3e:Be-Ca-Mn-O-Si,84.0,"Invalid WP multiplicities - A3BC2D12E3_mP84_14_4e_e_2e_17e_3e:Be-Ca-Mn-O-Si, expected CaMn2Be4Si3O17 to be CaMn2Be3(SiO4)3" +mp-1214361,Ca2Mn3Si3H3O14,-7.6927831572,-2.6045823645,0.0074100832,0.0074100832,GGA+U,P2_1/m,A2B3C3D14E3_mP50_11_2e_3e_abc_8e3f_3e:Ca-H-Mn-O-Si,50.0,A2B3C3D14E3_mP50_11_2e_3e_abc_8e3f_3e:Ca-H-Mn-O-Si +mp-1203787,Ca6MnBe4Si6HO24,-7.722985024,-3.1796890876,0.0421096148,0.0421096148,GGA+U,Pnma,A4B6CDE24F6_oP168_62_2cd_3d_c_c_6c9d_2c2d:Be-Ca-H-Mn-O-Si,168.0,A4B6CDE24F6_oP168_62_2cd_3d_c_c_6c9d_2c2d:Be-Ca-H-Mn-O-Si +mp-1248954,Ca2Mn2Si4H6O17,-7.2077732935,-2.4178840411,0.05529944,0.05529944,GGA+U,P1,A2B6C2D17E4_aP31_1_2a_6a_2a_17a_4a:Ca-H-Mn-O-Si,31.0,A2B6C2D17E4_aP31_1_2a_6a_2a_17a_4a:Ca-H-Mn-O-Si +mp-744672,Ca2Mn2Si4H6O17,-7.2007114084,-2.410822156,0.0623613252,0.0623613252,GGA+U,C2,A2B6C2D17E4_mC62_5_c_3c_c_a8c_2c:Ca-H-Mn-O-Si,31.0,A2B6C2D17E4_mC62_5_c_3c_c_a8c_2c:Ca-H-Mn-O-Si +mp-699464,Ca3Be2Si3(HO6)2,-7.4523457,-3.0924686052,0.0,-0.0019190787,GGA,P4_2/n,A2B3C2D12E3_tP88_86_g_eg_g_6g_fg:Be-Ca-H-O-Si,88.0,A2B3C2D12E3_tP88_86_g_eg_g_6g_fg:Be-Ca-H-O-Si +mp-1195231,Ca2Mn2Si4H8O17,-7.0811142382,-2.3759015438,0.0374261245,0.0374261245,GGA+U,C2,A2B8C2D17E4_mC66_5_c_4c_c_a8c_2c:Ca-H-Mn-O-Si,33.0,A2B8C2D17E4_mC66_5_c_4c_c_a8c_2c:Ca-H-Mn-O-Si +mp-24017,CaMnSiHO5,-7.6520228528,-2.6832336524,0.0108293661,0.0108293661,GGA+U,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:Ca-H-Mn-O-Si,36.0,"Invalid WP multiplicities - ABCD5E_oP36_19_a_a_a_10a_a:Ca-H-Mn-O-Si, expected CaMnSiHO10 to be CaMnSiHO5" +mp-746884,Ca12Mn8Si7(H5O16)3,-7.0467574183,-2.3392852414,0.2052319672,0.2052319672,GGA+U,P1,A12B15C8D48E7_aP90_1_12a_15a_8a_48a_7a:Ca-H-Mn-O-Si,90.0,A12B15C8D48E7_aP90_1_12a_15a_8a_48a_7a:Ca-H-Mn-O-Si +mp-1228000,Ca2Mn7Si10H12O35,-7.5901176364,-2.49549181,0.0088809247,0.0088809247,GGA+U,P1,A2B12C7D35E10_aP66_1_2a_12a_7a_35a_10a:Ca-H-Mn-O-Si,66.0,A2B12C7D35E10_aP66_1_2a_12a_7a_35a_10a:Ca-H-Mn-O-Si +mp-697226,Ca2Mn7Si10H12O35,-7.5849603089,-2.4903344826,0.0140382522,0.0140382522,GGA+U,P-1,A2B12C7D35E10_aP132_2_2i_12i_7i_35i_10i:Ca-H-Mn-O-Si,132.0,A2B12C7D35E10_aP132_2_4i_24i_14i_70i_20i:Ca-H-Mn-O-Si +mp-2232926,Ba2YMg(CuO2)4,-6.2286201775,-1.9864303392,0.2030189569,0.2030189569,GGA,P2/m,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Y,16.0,A2B4CD8E_mP16_10_m_2n_a_m3n_c:Ba-Cu-Mg-O-Y +mp-2232636,Ba2YMg(CuO2)4,-6.18404743,-1.9418575917,0.2475917044,0.2475917044,GGA,Amm2,A2B4CD8E_oC32_38_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Y,,A2B4CD8E_mP16_6_2a_4b_b_2a6b_a:Ba-Cu-Mg-O-Y +mp-2226683,Ba2YMgCu3O7,-6.2261695871,-2.0240880134,0.335494456,0.335494456,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Y,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Y +mp-2242035,Ba2YMgCu3O7,-6.2409346007,-2.038853027,0.3207294425,0.3207294425,GGA,Pmm2,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Mg-O-Y,14.0,A2B3CD7E_oP14_25_e_bf_a_be2f_c:Ba-Cu-Mg-O-Y +mp-2242050,Ba2YMgCu3O7,-6.2762103214,-2.0741287477,0.2854537217,0.2854537217,GGA,Pmm2,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Y,14.0,A2B3CD7E_oP14_25_2b_3c_a_2a2c3d_b:Ba-Cu-Mg-O-Y +mp-1308658,BaYMnCuO5,-7.6926833689,-2.5393376387,0.0508859522,0.0508859522,GGA+U,Pmm2,ABCD5E_oP9_25_d_a_a_a2b2c_d:Ba-Cu-Mn-O-Y,18.0,ABCD5E_oP9_25_d_a_a_a2b2c_d:Ba-Cu-Mn-O-Y +mp-1042473,BaYMnCuO5,-7.6901614772,-2.536815747,0.0534078438,0.0534078438,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Mn-O-Y,18.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Mn-O-Y +mp-2215844,BaYMgCu2O5,-6.609574287,-2.317815987,0.188559181,0.188559181,GGA,Cm,AB2CD5E_mC20_8_a_2a_a_a2b_a:Ba-Cu-Mg-O-Y,10.0,AB2CD5E_mC20_8_a_2a_a_a2b_a:Ba-Cu-Mg-O-Y +mp-2215829,BaYMgCu2O5,-6.522307336,-2.230549036,0.275826132,0.275826132,GGA,Cm,AB2CD5E_mC20_8_a_2a_a_a2b_a:Ba-Cu-Mg-O-Y,10.0,AB2CD5E_mC20_8_a_2a_a_a2b_a:Ba-Cu-Mg-O-Y +mp-2215898,BaYMgCu2O5,-6.448024631,-2.156266331,0.350108837,0.350108837,GGA,Pmm2,AB2CD5E_oP10_25_b_2c_a_2ac2d_b:Ba-Cu-Mg-O-Y,10.0,AB2CD5E_oP10_25_b_2c_a_2ac2d_b:Ba-Cu-Mg-O-Y +mp-2240586,BaYMgMnCuO5,-7.14669882,-2.3486596578,0.3730096831,0.3730096831,GGA+U,Pm,ABCDE5F_mP10_6_b_a_a_a_3a2b_b:Ba-Cu-Mg-Mn-O-Y,10.0,ABCDE5F_mP10_6_b_a_a_a_3a2b_b:Ba-Cu-Mg-Mn-O-Y +mp-2240386,BaYMgMnCuO5,-7.054210691,-2.2561715288,0.4654978121,0.4654978121,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Mn-O-Y,10.0,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Mn-O-Y +mp-2223891,BaYMgMnCuO5,-7.00932428,-2.2112851178,0.5103842231,0.5103842231,GGA+U,P4mm,ABCDE5F_tP10_99_a_b_a_b_b2c_a:Ba-Cu-Mg-Mn-O-Y,10.0,ABCDE5F_tP10_99_a_b_a_b_b2c_a:Ba-Cu-Mg-Mn-O-Y +mp-2227694,Ba2YMgMn3O8,-7.8180389413,-2.5537551674,0.1734566708,0.1734566708,GGA+U,Pmm2,A2BC3D8E_oP15_25_2b_a_3c_3a2c3d_b:Ba-Mg-Mn-O-Y,15.0,A2BC3D8E_oP15_25_2b_a_3c_3a2c3d_b:Ba-Mg-Mn-O-Y +mp-2226157,Ba2YMgMn3O8,-7.6848052127,-2.4205214387,0.3066903994,0.3066903994,GGA+U,P4/mmm,A2BC3D8E_tP15_123_h_a_bg_egi_c:Ba-Mg-Mn-O-Y,15.0,"Invalid WP multiplicities - A2BC3D8E_tP15_123_h_a_b2g_2e2g2i_c:Ba-Mg-Mn-O-Y, expected Ba2YMgMn5O16 to be Ba2YMgMn3O8" +mp-2228188,Ba2YMgMn3O8,-7.8234874247,-2.5592036507,0.1680081874,0.1680081874,GGA+U,P4/mmm,A2BC3D8E_tP15_123_g_a_ch_fhi_b:Ba-Mg-Mn-O-Y,15.0,"Invalid WP multiplicities - A2BC3D8E_tP15_123_g_a_c2h_2f2h2i_b:Ba-Mg-Mn-O-Y, expected Ba2YMgMn5O16 to be Ba2YMgMn3O8" +mp-10674,Sm3AlN,-4.165908008,1.081657824,1.970402622,1.9063470362,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-N-Sm,5.0,ABC3_cP5_221_b_a_c:Al-N-Sm +mp-1094052,Sm3AlN,-6.13631063,-0.8887447980000001,0.0,-0.0640555858,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-N-Sm,5.0,ABC3_cP5_221_a_b_c:Al-N-Sm +mp-681911,Sm4AlSi5(NO)7,-7.8646723246,-1.917639159,0.6140822581000001,0.6140822581000001,GGA,P1,AB7C7D5E4_aP72_1_3a_21a_21a_15a_12a:Al-N-O-Si-Sm,72.0,AB7C7D5E4_aP72_1_3a_21a_21a_15a_12a:Al-N-O-Si-Sm +mp-1173490,Sm4AlSi5(NO)7,-7.8894805988,-1.9424474332,0.5892739839000001,0.5892739839000001,GGA,P1,AB7C7D5E4_aP72_1_3a_21a_21a_15a_12a:Al-N-O-Si-Sm,72.0,AB7C7D5E4_aP72_1_3a_21a_21a_15a_12a:Al-N-O-Si-Sm +mp-1025276,Sm2AlNO3,-8.31232139,-3.1181343673,0.0936332366,0.0936332366,GGA,I4mm,ABC3D2_tI14_107_a_a_ab_2a:Al-N-O-Sm,7.0,ABC3D2_tI14_107_a_a_ab_2a:Al-N-O-Sm +mp-1208747,Sm5Si3NO12,-8.6123950112,-3.4902214767,0.0544916517,0.0544916517,GGA,P6_3/m,AB12C3D5_hP42_176_a_2hi_h_fh:N-O-Si-Sm,42.0,AB12C3D5_hP42_176_a_2hi_h_fh:N-O-Si-Sm +mp-684810,BaSm5Al3Si9N20O,-8.1591294785,-1.5628965916,0.0368345424,0.0368345424,GGA,P1,A3BC20DE9F5_aP39_1_3a_a_20a_a_9a_5a:Al-Ba-N-O-Si-Sm,39.0,A3BC20DE9F5_aP39_1_3a_a_20a_a_9a_5a:Al-Ba-N-O-Si-Sm +mp-1227863,BaSm5Al3Si9N20O,-8.1732068046,-1.5769739178000002,0.0227572163,0.0227572163,GGA,P1,A3BC20DE9F5_aP39_1_3a_a_20a_a_9a_5a:Al-Ba-N-O-Si-Sm,39.0,A3BC20DE9F5_aP39_1_3a_a_20a_a_9a_5a:Al-Ba-N-O-Si-Sm +mp-2229452,Sr4MgMn2Cu2(SO3)2,-6.3408723918,-2.0565353454,0.230482841,0.230482841,GGA+U,Pmm2,A2BC2D6E2F4_oP17_25_ad_a_bc_2abc2d_bc_2b2c:Cu-Mg-Mn-O-S-Sr,17.0,A2BC2D6E2F4_oP17_25_ad_a_bc_2abc2d_bc_2b2c:Cu-Mg-Mn-O-S-Sr +mp-2241433,Sr4MgMn2Cu2(SO3)2,-6.2958897965,-2.0115527501,0.2754654363,0.2754654363,GGA+U,P4mm,A2BC2D6E2F4_tP17_99_c_a_ab_ab2c_ab_2a2b:Cu-Mg-Mn-O-S-Sr,17.0,A2BC2D6E2F4_tP17_99_c_a_ab_ab2c_ab_2a2b:Cu-Mg-Mn-O-S-Sr +mp-2229175,Sr4MgMn2Cu2(SO3)2,-6.3002558047,-2.0159187583,0.271099428,0.271099428,GGA+U,P-4m2,A2BC2D6E2F4_tP17_115_ab_c_g_efg_g_2g:Cu-Mg-Mn-O-S-Sr,17.0,"Invalid WP multiplicities - A2BC2D6E2F4_tP17_115_ab_c_g_2efg_g_2g:Cu-Mg-Mn-O-S-Sr, expected Sr4MgMn2Cu2(SO4)2 to be Sr4MgMn2Cu2(SO3)2" +mp-1211424,MgCu2(SO4)2,-5.7864595892,-1.3522209112,0.4562372831,0.4562372831,GGA,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Cu-Mg-O-S,26.0,A2BC8D2_mP26_14_e_a_4e_e:Cu-Mg-O-S +mp-2229778,MgCu4(SO5)2,-5.8966606347,-1.4415492479,0.1661923588,0.1661923588,GGA,C2,A4BC10D2_mC34_5_2c_a_5c_c:Cu-Mg-O-S,17.0,A4BC10D2_mC34_5_2c_a_5c_c:Cu-Mg-O-S +mp-2229118,MgCu4(SO5)2,-5.9446693565,-1.4895579696,0.1181836371,0.1181836371,GGA,Cm,A4BC10D2_mC34_8_2ab_a_6a2b_2a:Cu-Mg-O-S,17.0,"Invalid WP multiplicities - A4BC10D2_mC34_8_2ab_a_6a3b_2a:Cu-Mg-O-S, expected MgCu4(SO6)2 to be MgCu4(SO5)2" +mp-2229886,MgCu4(SO5)2,-5.9927804582,-1.5376690714,0.0700725353,0.0700725353,GGA,C2/m,A4BC10D2_mC34_12_fi_a_3ij_i:Cu-Mg-O-S,17.0,A4BC10D2_mC34_12_fi_a_3ij_i:Cu-Mg-O-S +mp-1048628,Sr3MgMn2S2O5,-6.8490116392,-2.3875397712,0.1246039255,0.1246039255,GGA+U,I-4m2,AB2C5D2E3_tI26_119_c_e_a2f_e_be:Mg-Mn-O-S-Sr,13.0,"Invalid WP multiplicities - AB2C5D2E3_tI26_119_c_e_a3f_e_be:Mg-Mn-O-S-Sr, expected Sr3MgMn2S2O7 to be Sr3MgMn2S2O5" +mp-1211123,MnCu2(SO4)2,-6.1928473373,-1.1769367176,0.4640579085,0.4640579085,GGA+U,P2_1/c,A2BC8D2_mP26_14_e_a_4e_e:Cu-Mn-O-S,26.0,A2BC8D2_mP26_14_e_a_4e_e:Cu-Mn-O-S +mp-1233888,Sr4MgMn2Cu3(SO)4,-5.772088945,-1.5880634578,0.4128638259,0.4128638259,GGA+U,C2,A3BC2D4E4F4_mC36_5_a2b_a_c_2a2b_2c_2c:Cu-Mg-Mn-O-S-Sr,18.0,A3BC2D4E4F4_mC36_5_a2b_a_c_2a2b_2c_2c:Cu-Mg-Mn-O-S-Sr +mp-554634,SrMn5(SO4)6,-7.4607678016,-2.1541345187,0.0,-0.0023004375,GGA+U,P-3,A5B24C6D_hP108_147_ad2g_12g_3g_bd:Mn-O-S-Sr,108.0,"Invalid WP multiplicities - A5B24C6D_hP108_147_a2d7g_68g_8g_bd:Mn-O-S-Sr, expected Sr3Mn47(S2O17)24 to be SrMn5(SO4)6" +mp-1275541,Sr3Mn2Cu2S2O5,-6.693214555,-2.079124014,0.0193366342,0.0193366342,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Mn-O-S-Sr,14.0,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Mn-O-S-Sr +mp-2228621,Sr4MgMn2(SO3)2,-6.6154293587,-2.3064082621,0.2855456824,0.2855456824,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Mg-Mn-O-S-Sr,15.0,"Invalid WP multiplicities - AB2C6D2E4_tP15_115_a_g_e2fg_g_2g:Mg-Mn-O-S-Sr, expected Sr4MgMn2(SO4)2 to be Sr4MgMn2(SO3)2" +mp-2228629,Sr4MgMn2(SO3)2,-6.7958746107,-2.4868535141,0.1051004304,0.1051004304,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Mg-Mn-O-S-Sr,15.0,"Invalid WP multiplicities - AB2C6D2E4_tP15_115_a_g_2efg_g_2g:Mg-Mn-O-S-Sr, expected Sr4MgMn2(SO4)2 to be Sr4MgMn2(SO3)2" +mp-551219,Sr2MnCu2(SO)2,-6.0663597956,-1.7435050517,0.0752322885,0.0752322885,GGA+U,I4/mmm,A2BC2D2E2_tI18_139_d_a_c_e_e:Cu-Mn-O-S-Sr,18.0,A2BC2D2E2_tI18_139_d_a_c_e_e:Cu-Mn-O-S-Sr +mp-1218477,Sr4Mn2Cu3(SO)4,-6.2345035144,-1.8984930015,0.0272288882,0.0272288882,GGA+U,C222,A3B2C4D4E4_oC34_21_abc_k_ef_l_l:Cu-Mn-O-S-Sr,34.0,"Invalid WP multiplicities - A3B2C4D4E4_oC34_21_2abc_k_ef_l_l:Cu-Mn-O-S-Sr, expected Sr2MnCu2(SO)2 to be Sr4Mn2Cu3(SO)4" +mp-555856,Sr4Mn2Cu3(SO)4,-6.2367392568,-1.9007287438,0.0249931458,0.0249931458,GGA+U,Ibam,A3B2C4D4E4_oI68_72_af_j_cdj_k_k:Cu-Mn-O-S-Sr,34.0,"Invalid WP multiplicities - A3B2C4D4E4_oI68_72_2a3f_j_cdj_k_k:Cu-Mn-O-S-Sr, expected Sr2MnCu4(SO)2 to be Sr4Mn2Cu3(SO)4" +mp-1046617,Sr2MnSO3,-6.892982435,-2.3904798351,0.1523694638,0.1523694638,GGA+U,P4/nmm,AB3CD2_tP14_129_c_cf_c_2c:Mn-O-S-Sr,14.0,AB3CD2_tP14_129_c_cf_c_2c:Mn-O-S-Sr +mp-20239,Sr2MnCuSO3,-6.6683090187000005,-2.2162184101,0.0087747265,0.0087747265,GGA+U,P4/nmm,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Mn-O-S-Sr,16.0,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Mn-O-S-Sr +mp-2232139,MgCu2(SO5)2,-6.1206828747,-1.6181175256,0.0926777734,0.0926777734,GGA,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Cu-Mg-O-S,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Cu-Mg-O-S +mp-2232486,MgCu2(SO5)2,-6.1077386273,-1.6051732783,0.1056220208,0.1056220208,GGA,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Cu-Mg-O-S,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Cu-Mg-O-S +mp-1218690,Sr8Mn6Cu4S4O15,-6.9391597727,-2.1923760917,0.0224310044,0.0224310044,GGA+U,C2/m,A4B6C15D4E8_mC74_12_gh_ij_abc2g2hj_j_2j:Cu-Mn-O-S-Sr,37.0,"Invalid WP multiplicities - A4B6C15D4E8_mC74_12_2g2h_ij_abc4g4hj_j_2j:Cu-Mn-O-S-Sr, expected Sr8Mn6Cu8S4O23 to be Sr8Mn6Cu4S4O15" +mp-2715610,Na7Sc2Al2SiP5O24,-7.3648808028,-2.9593655209,0.0327810036,0.0327810036,GGA,P1,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:Al-Na-O-P-Sc-Si,123.0,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:Al-Na-O-P-Sc-Si +mp-2714619,Na4ScAlSi(PO6)2,-7.2828372576,-2.9504404154,0.0458041687,0.0458041687,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Al-Na-O-P-Sc-Si,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Al-Na-O-P-Sc-Si +mp-2715384,Na3ScAl(PO4)3,-7.446170399,-2.9638807555,0.0199280416,0.0199280416,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Al-Na-O-P-Sc,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Al-Na-O-P-Sc +mp-2715422,Na3ScAl(PO4)3,-7.4494084442,-2.9671188007,0.0166899964,0.0166899964,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Al-Na-O-P-Sc,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Al-Na-O-P-Sc +mp-2714452,Na7Ti2Si5Ge2PO24,-7.318281995099999,-2.7925469092,0.0531942494,0.0531942494,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Ti,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Ti +mp-2716461,Na4TiSi3GeO12,-7.2476007248,-2.7978464548,0.0401446882,0.0401446882,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Ti,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Ti +mp-2715375,Na3TiSi2GePO12,-7.3916009088,-2.7860859661,0.0625997138,0.0625997138,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Ti,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Ti +mp-2715519,Na3TiSi2GePO12,-7.3888454517,-2.783330509,0.0653551708,0.0653551708,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Ti,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Ti +mp-2713361,NaTiGe(PO4)3,-7.7109184895,-2.7419619773,0.0091047842,0.0091047842,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Ti,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Ti +mp-2712542,Na2TiSiGe(PO6)2,-7.5394876626,-2.761816187,0.0587602348,0.0587602348,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Ti,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Ti +mp-2713112,Na3Ti2SiGe2P5O24,-7.6232418086,-2.7525127476,0.0346963034,0.0346963034,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Ti +mp-2714257,Na5Ti2Si3Ge2(PO8)3,-7.4544865117,-2.7651004376,0.0732716076,0.0732716076,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Ti,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Ti +mp-1095876,CaMgZn2,-0.3186628675,1.21267892,1.4462971196,1.4462971196,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Mg-Zn,4.0,ABC2_oI8_71_a_b_e:Ca-Mg-Zn +mp-1036365,CaMg14ZnO16,-6.2263223419,-2.9508134803,0.0401087066,0.0401087066,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Ca-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Ca-Mg-O-Zn, expected CaMg18ZnO20 to be CaMg14ZnO16" +mp-1036412,CaMg14ZnO16,-6.2266842025,-2.9511753409,0.0397468459,0.0397468459,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Ca-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Ca-Mg-O-Zn, expected CaMg30ZnO32 to be CaMg14ZnO16" +mp-1037964,CaMg30ZnO32,-6.2788348197,-3.0043381986,0.0181430445,0.0181430445,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Ca-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Ca-Mg-O-Zn, expected CaMg110ZnO72 to be CaMg30ZnO32" +mp-1037956,CaMg30ZnO32,-6.2786623837,-3.0041657627,0.0183154805,0.0183154805,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Ca-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Ca-Mg-O-Zn, expected CaMg90ZnO80 to be CaMg30ZnO32" +mp-1214276,Ca2MgAs2(H2O5)2,-6.3205407313,-2.2169876833,0.0,-0.0128209595,GGA,P2_1/c,A2B2C4DE10_mP38_14_e_e_2e_a_5e:As-Ca-H-Mg-O,38.0,A2B2C4DE10_mP38_14_e_e_2e_a_5e:As-Ca-H-Mg-O +mp-1028173,CaMg14Zn,-1.6037857312,0.0005432806,0.0598172078,0.0598172078,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ca-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ca-Mg-Zn, expected CaMg18Zn to be CaMg14Zn" +mp-1028158,CaMg14Zn,-1.5972969131,0.0070320987,0.066306026,0.066306026,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ca-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ca-Mg-Zn, expected CaMg26Zn to be CaMg14Zn" +mp-1023267,CaMg6Zn,-1.6098983656,-0.0015203919,0.0912719991,0.0912719991,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ca-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ca-Mg-Zn, expected CaMg12Zn to be CaMg6Zn" +mp-1023308,CaMg6Zn,-1.6098862612,-0.0015082875,0.0912841034,0.0912841034,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ca-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ca-Mg-Zn, expected CaMg12Zn to be CaMg6Zn" +mp-1227155,CaMgZn,-1.7955066775,-0.1736321642,0.0308884392,0.0308884392,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Ca-Mg-Zn,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Ca-Mg-Zn, expected Ca3(MgZn)2 to be CaMgZn" +mp-1228198,Ca4MgZnAs4(H2O5)4,-6.2310137879,-2.1364222251,0.0004765876,0.0004765876,GGA,P-1,A4B4C8DE20F_aP38_2_2i_2i_4i_b_10i_e:As-Ca-H-Mg-O-Zn,38.0,"Invalid WP multiplicities - A4B4C8DE20F_aP38_2_3i_3i_6i_b_15i_e:As-Ca-H-Mg-O-Zn, expected Ca6MgZnAs6(H2O5)6 to be Ca4MgZnAs4(H2O5)4" +mp-1198904,Ca4Mg13Zn29,-1.5773560095,-0.1565167734,0.0208999144,0.0208999144,GGA,P6_3/mmc,A4B13C29_hP92_194_ah_c2k_fhi2jk:Ca-Mg-Zn,92.0,A4B13C29_hP92_194_ah_c2k_fhi2jk:Ca-Mg-Zn +mp-1094707,Ca3Mg4Zn11,-1.6125294797,-0.1528017269,0.0636025861,0.0636025861,GGA,P6_3/mmc,A3B4C11_hP36_194_h_bg_fhk:Ca-Mg-Zn,36.0,"Invalid WP multiplicities - A3B4C11_hP36_194_h_2bg_f2h2k:Ca-Mg-Zn, expected Ca3(MgZn4)5 to be Ca3Mg4Zn11" +mp-1094154,Ca3(MgZn2)5,-1.6804216017,-0.2017751578,0.0049481655,0.0049481655,GGA,Cc,A3B5C10_mC72_9_3a_5a_10a:Ca-Mg-Zn,36.0,"Invalid WP multiplicities - A3B5C10_mC72_9_3a_9a_11a:Ca-Mg-Zn, expected Ca3Mg9Zn11 to be Ca3(MgZn2)5" +mp-1032893,CaMg6ZnO8,-6.1218258194,-2.8442924769,0.0835115975,0.0835115975,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Ca-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Ca-Mg-O-Zn, expected CaMg6ZnO12 to be CaMg6ZnO8" +mp-1032894,CaMg6ZnO8,-6.1263464544,-2.8488131119,0.0789909625,0.0789909625,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Ca-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Ca-Mg-O-Zn, expected CaMg6ZnO12 to be CaMg6ZnO8" +mp-24018,CaZnAsHO5,-6.1684051469,-2.1627794251,0.0,-0.0094564091,GGA,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:As-Ca-H-O-Zn,36.0,ABCD5E_oP36_19_a_a_a_5a_a:As-Ca-H-O-Zn +mp-1097680,Ca2MgZn,-0.3721496825,1.3456561725,1.5168195881000002,1.5168195881000002,GGA,Immm,A2BC_oI8_71_e_a_b:Ca-Mg-Zn,4.0,A2BC_oI8_71_e_a_b:Ca-Mg-Zn +mp-1214401,Ca2ZnAs2(H2O5)2,-6.1406358168,-2.0550057393,0.0018042029,0.0018042029,GGA,P-1,A2B2C4D10E_aP19_2_i_i_2i_5i_a:As-Ca-H-O-Zn,19.0,A2B2C4D10E_aP19_2_i_i_2i_5i_a:As-Ca-H-O-Zn +mp-1214196,Ca2ZnAs2(H2O5)2,-6.1402926255,-2.054662548,0.0021473942,0.0021473942,GGA,P2_1/c,A2B2C4D10E_mP38_14_e_e_2e_5e_a:As-Ca-H-O-Zn,38.0,A2B2C4D10E_mP38_14_e_e_2e_5e_a:As-Ca-H-O-Zn +mp-558169,NaCaAlF6,-5.8836646396,-3.8233785498,0.0106424389,-0.0012128507,GGA,P2_1/c,ABC6D_mP72_14_2e_2e_12e_2e:Al-Ca-F-Na,72.0,"Invalid WP multiplicities - ABC6D_mP72_14_5e_6e_45e_4e:Al-Ca-F-Na, expected Na4Ca6Al5F45 to be NaCaAlF6" +mp-17944,NaCaAlF6,-5.8943070785,-3.8340209887,0.0,-0.0118552896,GGA,P321,ABC6D_hP27_150_ad_e_3g_f:Al-Ca-F-Na,27.0,"Invalid WP multiplicities - ABC6D_hP27_150_ad_e_4g_f:Al-Ca-F-Na, expected NaCaAlF8 to be NaCaAlF6" +mp-14395,NaAlAsO4F,-6.5397011763,-2.6115195086,0.0,-0.0244476725,GGA,C2/c,ABCDE4_mC32_15_a_e_e_e_2f:Al-As-F-Na-O,16.0,ABCDE4_mC32_15_c_e_e_e_2f:Al-As-F-Na-O +mp-1180232,NaCa2Al2As2O11F4,-6.250461742,-2.4230705958,0.2496249429,0.2496249429,GGA,P2_1/m,A2B2C2D4EF11_mP44_11_f_2e_f_2f_e_5e3f:Al-As-Ca-F-Na-O,44.0,A2B2C2D4EF11_mP44_11_f_2e_f_2f_e_5e3f:Al-As-Ca-F-Na-O +mp-555730,Na2Ca3Al2F14,-5.9250177398,-3.8815078621,0.0082645704,0.0082645704,GGA,I2_13,A2B3C14D2_cI84_199_a_b_a2c_a:Al-Ca-F-Na,42.0,"Invalid WP multiplicities - A2B3C14D2_cI84_199_a_b_3a15c_a:Al-Ca-F-Na, expected Na2Ca3Al2F96 to be Na2Ca3Al2F14" +mp-1199631,NaCaAlOF6,-5.7290047487,-3.3800783968,0.070540493,0.070540493,GGA,P2_1/c,ABC6DE_mP40_14_e_e_6e_e_e:Al-Ca-F-Na-O,40.0,ABC6DE_mP40_14_e_e_6e_e_e:Al-Ca-F-Na-O +mp-15572,Na3Ca3AlAs4,-3.8034603841,-0.8610581141,0.0,-0.0321840378,GGA,P6_3mc,AB4C3D3_hP22_186_b_bc_c_c:Al-As-Ca-Na,22.0,AB4C3D3_hP22_186_b_bc_c_c:Al-As-Ca-Na +mp-2714008,TaGe(PO4)3,-8.1567467133,-2.7402186227,0.0001860795,0.0001860795,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Ge-O-P-Ta,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Ge-O-P-Ta, expected TaGe(PO12)3 to be TaGe(PO4)3" +mp-2713084,Na7TaSi6(GeO8)3,-7.2471663168,-2.7043132559,0.0561804856,0.0561804856,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ge-Na-O-Si-Ta,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ge-Na-O-Si-Ta +mp-2715133,Na2TaSi2GePO12,-7.8068917051,-2.8200464854,0.0668862478,0.0668862478,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:Ge-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:Ge-Na-O-P-Si-Ta, expected Na2TaSi12GePO72 to be Na2TaSi2GePO12" +mp-2713726,NaTaGe3(PO4)6,-7.689310446,-2.5964610003,0.0098857239,0.0098857239,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2c_24d_6d_2ab:Ge-Na-O-P-Ta,105.0,A3BC24D6E_hP105_143_2a3b4c_a2c_24d_6d_2ab:Ge-Na-O-P-Ta +mp-2715729,NaTa2SiGe2P5O24,-8.0740730136,-2.7741731309,0.0253509814,0.0253509814,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-Si-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-Si-Ta +mp-1217900,TaSiGe,-7.6021639322,-0.3001227606,0.0479649926,0.0479649926,GGA,P3_212,ABC_hP9_153_a_a_a:Ge-Si-Ta,9.0,ABC_hP9_153_a_a_a:Ge-Si-Ta +mp-2713392,Na5Ta3Si6GeO24,-8.0759706003,-2.9969597166,0.0263035787,0.0263035787,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-Si-Ta,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-Si-Ta +mp-2716542,Na5Ta2Si5Ge2PO24,-7.7217986015,-2.8286022127,0.0679649235,0.0679649235,GGA,P1,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Ge-Na-O-P-Si-Ta,117.0,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Ge-Na-O-P-Si-Ta +mp-2712882,Na3Ta2Si3Ge2(PO8)3,-7.9060595842,-2.8205034348,0.0477967066,0.0477967066,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ge-Na-O-P-Si-Ta,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ge-Na-O-P-Si-Ta +mp-2715406,Na3TaSi3GeO12,-7.6454650208,-2.8412350212,0.0488015884,0.0488015884,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Ge-Na-O-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Ge-Na-O-Si-Ta, expected Na14Ta3Si18(GeO24)3 to be Na3TaSi3GeO12" +mp-2715458,Na3TaSi3GeO12,-7.646775477,-2.8425454775,0.0474911321,0.0474911321,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Ge-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Ge-Na-O-Si-Ta, expected Na3TaSi6GeO30 to be Na3TaSi3GeO12" +mp-2715671,NaTaSiGe(PO6)2,-7.9933969897,-2.8036459699,0.0316783467,0.0316783467,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ge-Na-O-P-Si-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ge-Na-O-P-Si-Ta, expected NaTaSiGeP3O20 to be NaTaSiGe(PO6)2" +mp-2713170,Na5HfIn3Si3(SO8)3,-6.8519966379,-2.4358248571,0.1033622773,0.1033622773,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-In-Na-O-S-Si,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-In-Na-O-S-Si +mp-2716435,Na2Hf4In4Si3(S3O16)3,-7.362353705,-2.4419879527,0.0371919449,0.0371919449,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Hf-In-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Hf-In-Na-O-S-Si +mp-2714451,Na3HfInSi2SO12,-7.250036011,-2.6988460559,0.0798258676,0.0798258676,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Hf-In-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Hf-In-Na-O-S-Si, expected Na13HfInSi7SO72 to be Na3HfInSi2SO12" +mp-2714654,Na14Hf4In4Si9(SO16)3,-7.2273595372,-2.7391995962,0.0643777367,0.0643777367,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Hf-In-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Hf-In-Na-O-S-Si +mp-2715826,Na10Hf4In4Si7S5O48,-7.2666113609,-2.6491590832,0.101439739,0.101439739,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Hf-In-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Hf-In-Na-O-S-Si +mp-2716118,Na6Hf4In4Si5S7O48,-7.3120817068,-2.5513595425,0.0749981227,0.0749981227,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Hf-In-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Hf-In-Na-O-S-Si +mp-2714704,Na3Hf3InSi3(SO8)3,-7.7600098009,-2.7871271128,0.062069899,0.062069899,GGA,P1,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Hf-In-Na-O-S-Si,111.0,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Hf-In-Na-O-S-Si +mp-2713685,Na4Hf2In2Si3(SO8)3,-7.2887794007,-2.6015773098,0.088535686,0.088535686,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Hf-In-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Hf-In-Na-O-S-Si +mp-2712693,NaHfInSi(SO6)2,-7.3457505689,-2.5074238827,0.0516364892,0.0516364892,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Hf-In-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Hf-In-Na-O-S-Si, expected NaHfInSiS3O20 to be NaHfInSi(SO6)2" +mp-2712889,Hf2In2SiS5O24,-7.3854585626,-2.3782279169,0.0163726551,0.0163726551,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Hf-In-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Hf-In-O-S-Si +mp-2716252,Na8Hf2In2Si5SO24,-7.2083843377,-2.7802529816,0.0427989333,0.0427989333,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Hf-In-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Hf-In-Na-O-S-Si +mp-2715502,Na3HfTiSi2PO12,-7.9891932366,-3.1169702352,0.0176499292,0.0176499292,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Ti,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Ti +mp-2715319,Na3HfTiSi2PO12,-7.9869971618,-3.1147741603,0.0198460041,0.0198460041,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Ti,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Ti +mp-2713024,Na3Hf2Ti2SiP5O24,-8.2841219889,-3.1250598914,0.0201593326,0.0201593326,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Ti +mp-2714287,Na5Hf2Ti2Si3(PO8)3,-8.0765980215,-3.1136652205,0.02829259,0.02829259,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Ti,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Ti +mp-2713844,NaHfTi(PO4)3,-8.3963570461,-3.1310582464,0.0062876939,0.0062876939,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Ti,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Ti +mp-2712614,Na2HfTiSi(PO6)2,-8.1785182375,-3.1201014369,0.0283800906,0.0283800906,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Ti,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Ti +mp-2714479,Na7Hf2Ti2Si5PO24,-7.8914542415,-3.1055161714,0.0200311075,0.0200311075,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Ti,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Ti +mp-2716526,Na4HfTi(SiO4)3,-7.8046692401,-3.1009072951,0.0127333469,0.0127333469,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Ti,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Hf-Na-O-Si-Ti +mp-1225970,CsNaSiO3,-6.3872212878,-2.6400026496,0.0150846749,0.0150846749,GGA,R3m,ABC3D_hR108_160_3ab_c_4bc_2b:Cs-Na-O-Si,36.0,ABC3D_hR108_160_3ab_c_4bc_2b:Cs-Na-O-Si +mp-4877,CsNa2Si17,-4.770992551,0.0175504224,0.0212410817,0.0212410817,GGA,Fd-3m,AB2C17_cF160_227_b_c_aeg:Cs-Na-Si,40.0,"Invalid WP multiplicities - AB2C17_cF160_227_b_c_ae2g:Cs-Na-Si, expected CsNa2Si29 to be CsNa2Si17" +mp-709921,Cs2Na4Cu2Si12H4O31,-7.2023471685,-2.7059582622,0.009570301,0.009570301,GGA,C2/c,A2B2C4D4E31F12_mC220_15_f_f_2f_2f_e15f_6f:Cs-Cu-H-Na-O-Si,110.0,A2B2C4D4E31F12_mC220_15_f_f_2f_2f_e15f_6f:Cs-Cu-H-Na-O-Si +mp-1199908,Cs7NaSi8,-3.2193486525,-0.0322932689,0.0,-0.0107908538,GGA,Pa-3,A7BC8_cP64_205_ad_b_cd:Cs-Na-Si,64.0,A7BC8_cP64_205_ad_b_cd:Cs-Na-Si +mp-572951,CsNaSi2O5,-7.109550799,-2.9093277677,0.0,-0.0109665846,GGA,Pna2_1,ABC5D2_oP72_33_2a_2a_10a_4a:Cs-Na-O-Si,72.0,"Invalid WP multiplicities - ABC5D2_oP72_33_4a_5a_36a_12a:Cs-Na-O-Si, expected Cs4Na5(SiO3)12 to be CsNaSi2O5" +mp-1221671,Na2Cu2Si5(H3O8)2,-6.6820965945,-2.2474698291,0.0385023277,0.0385023277,GGA,Pc,A2B6C2D16E5_mP62_7_2a_6a_2a_16a_5a:Cu-H-Na-O-Si,62.0,"Invalid WP multiplicities - A2B6C2D16E5_mP62_7_3a_8a_3a_23a_7a:Cu-H-Na-O-Si, expected Na3Cu3Si7H8O23 to be Na2Cu2Si5(H3O8)2" +mp-555953,Na2Cu2Si4H4O13,-6.6604812744,-2.2435775355,0.0450176059,0.0450176059,GGA,P-1,A2B4C2D13E4_aP25_2_i_2i_i_a6i_2i:Cu-H-Na-O-Si,25.0,"Invalid WP multiplicities - A2B4C2D13E4_aP25_2_i_2i_i_a11i_4i:Cu-H-Na-O-Si, expected Na2Cu2Si8H4O23 to be Na2Cu2Si4H4O13" +mp-2714511,Na4AlInSi2SO12,-6.6419682857,-2.5403153716,0.1087862343,0.1087862343,GGA,P1,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-In-Na-O-S-Si,126.0,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-In-Na-O-S-Si +mp-2715540,Na2Al2In2SiS5O24,-6.6881892485000005,-2.2307540779,0.0699951189,0.0699951189,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-In-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-In-Na-O-S-Si +mp-2715196,Na10Al4In4Si5S7O48,-6.6668189632,-2.4009588538,0.1117338101,0.1117338101,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-In-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-In-Na-O-S-Si +mp-2713569,Na2AlInSi(SO6)2,-6.6796403283,-2.3532828312,0.092663318,0.092663318,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-In-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-In-Na-O-S-Si +mp-2714069,Na2Al4In4SiS11O48,-6.6971761545,-2.1685845326,0.0520655534,0.0520655534,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-In-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-In-Na-O-S-Si +mp-2713949,AlIn(SO4)3,-6.7136637706,-2.1097300238,0.0220744479,0.0220744479,GGA,P321,ABC12D3_hP102_150_3d_2cd_12g_ef2g:Al-In-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_5d_3cd_20g_ef4g:Al-In-O-S, expected Al5In4(SO4)15 to be AlIn(SO4)3" +mp-2716129,Na6Al2In2Si3(SO8)3,-6.6590952143,-2.4507076233,0.1253942297,0.1253942297,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-In-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-In-Na-O-S-Si +mp-2713774,Na6Al4In4Si3(S3O16)3,-6.6947006877,-2.3045756737,0.0710160409,0.0710160409,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-In-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-In-Na-O-S-Si +mp-2715548,Na14Al4In4Si7S5O48,-6.6494077654,-2.4956891553,0.1296250254,0.1296250254,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-In-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-In-Na-O-S-Si +mp-1215408,Zr3Ti3P2,-8.0711220263,-0.5515991571000001,0.3084583781,0.3084583781,GGA,Pmm2,A2B3C3_oP8_25_ab_2ab_c2d:P-Ti-Zr,8.0,A2B3C3_oP8_25_ab_2ab_c2d:P-Ti-Zr +mp-1216497,ZrTi3(P2O9)4,-7.294027446,-2.0102484807,0.4887730374,0.4887730374,GGA,P1,A36B8C3D_aP48_1_36a_8a_3a_a:O-P-Ti-Zr,48.0,A36B8C3D_aP48_1_36a_8a_3a_a:O-P-Ti-Zr +mp-1215754,Zr2(TiSi)3,-7.7397663919,-0.6075374669,0.1883268729,0.1883268729,GGA,P6_3/mcm,A3B3C2_hP16_193_g_g_d:Si-Ti-Zr,16.0,A3B3C2_hP16_193_g_g_d:Si-Ti-Zr +mp-2714139,Na5Zr2Ti2Si3(PO8)3,-7.9616660386,-3.071014694,0.0384346354,0.0384346354,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Ti-Zr,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Ti-Zr +mp-1215425,Zr9Ti3P4,-8.0466329469,-0.4048209627,0.4563209669,0.4563209669,GGA,Pmm2,A4B3C9_oP16_25_2a2b_2ab_a2b3c3d:P-Ti-Zr,16.0,A4B3C9_oP16_25_2a2b_2ab_a2b3c3d:P-Ti-Zr +mp-2714616,Na7Zr2Ti2Si5PO24,-7.7863588006,-3.0691762622,0.0282712359,0.0282712359,GGA,P1,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Ti-Zr,123.0,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Ti-Zr +mp-2712751,Na2ZrTiSi(PO6)2,-8.0641087583,-3.0798755577,0.0301341674,0.0301341674,GGA,P1,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Ti-Zr,114.0,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Ti-Zr +mp-2713060,Na3Zr2Ti2SiP5O24,-8.1665001635,-3.0836266282,0.0212363103,0.0212363103,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Zr,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Zr +mp-2713585,Na3ZrTiSi2PO12,-7.8785141845,-3.0767656031,0.0293771003,0.0293771003,GGA,P1,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Ti-Zr,120.0,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Ti-Zr +mp-2713621,Na3ZrTiSi2PO12,-7.877104085,-3.0753555036,0.0307871998,0.0307871998,GGA,P1,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Ti-Zr,80.0,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Ti-Zr +mp-2716339,Na4ZrTi(SiO4)3,-7.7005106679,-3.0638672181,0.0225798579,0.0225798579,GGA,P3,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Ti-Zr,126.0,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Ti-Zr +mp-1215386,Zr3Ti2Si3,-8.0358483238,-0.8220933221000001,0.0,-0.0342690198,GGA,P6_3/mcm,A3B2C3_hP16_193_g_d_g:Si-Ti-Zr,16.0,A3B2C3_hP16_193_g_d_g:Si-Ti-Zr +mp-2713217,NaZrTi(PO4)3,-8.2723740552,-3.0853801666,0.0104884802,0.0104884802,GGA,P3,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Ti-Zr,108.0,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Ti-Zr +mp-1210983,Na3MnP8O23,-7.4212003732,-2.5580617565,0.0045010813,0.0045010813,GGA+U,P4_132,AB3C23D8_cP140_213_a_d_cd3e_ce:Mn-Na-O-P,140.0,AB3C23D8_cP140_213_a_d_cd3e_ce:Mn-Na-O-P +mp-20227,NaMnP,-5.732176915,-0.4328958843,0.0228216202,0.0228216202,GGA,P4/nmm,ABC_tP6_129_a_c_c:Mn-Na-P,6.0,ABC_tP6_129_a_c_c:Mn-Na-P +mp-761067,NaMn(PO3)3,-7.6965941741,-2.6076908522,0.0050757754,0.0050757754,GGA+U,P2_12_12_1,ABC9D3_oP56_19_a_a_9a_3a:Mn-Na-O-P,56.0,"Invalid WP multiplicities - ABC9D3_oP56_19_a_a_33a_9a:Mn-Na-O-P, expected NaMn(P3O11)3 to be NaMn(PO3)3" +mp-553997,Na2Mn(PO3)5,-7.498978172,-2.5827212554,0.0,-0.0126029764,GGA+U,P2_1/m,AB2C15D5_mP46_11_a_f_3e6f_e2f:Mn-Na-O-P,46.0,"Invalid WP multiplicities - AB2C15D5_mP46_11_a_f_6e20f_2e7f:Mn-Na-O-P, expected Na2Mn(P8O23)2 to be Na2Mn(PO3)5" +mp-1192230,NaMnP2O7,-7.6146301695,-2.5293604807,0.0041125302,0.0041125302,GGA+U,P-1,ABC7D2_aP22_2_i_i_7i_2i:Mn-Na-O-P,22.0,ABC7D2_aP22_2_i_i_7i_2i:Mn-Na-O-P +mp-16381,NaMn6P7O24,-8.1969777887,-2.5941287449,0.0,-0.0035574536,GGA+U,P2_1/m,A6BC24D7_mP76_11_3f_e_2e11f_e3f:Mn-Na-O-P,76.0,"Invalid WP multiplicities - A6BC24D7_mP76_11_3f_e_2e14f_e6f:Mn-Na-O-P, expected NaMn6P13O30 to be NaMn6P7O24" +mp-1173592,NaMnFe(PO4)2,-7.8138024131,-2.4788272978,0.0,-0.0021772105,GGA+U,P-1,ABCD8E2_aP78_2_3i_3i_be2i_24i_6i:Fe-Mn-Na-O-P,78.0,"Invalid WP multiplicities - ABCD8E2_aP78_2_4i_4i_be4i_46i_10i:Fe-Mn-Na-O-P, expected Na5Mn4Fe4(P5O23)2 to be NaMnFe(PO4)2" +mp-1173642,NaMnFe(PO4)2,-7.3918023601,-2.0568272448,0.4220000529,0.4198228424,GGA+U,P-1,ABCD8E2_aP78_2_3i_3i_be2i_24i_6i:Fe-Mn-Na-O-P,78.0,"Invalid WP multiplicities - ABCD8E2_aP78_2_4i_4i_be4i_46i_10i:Fe-Mn-Na-O-P, expected Na5Mn4Fe4(P5O23)2 to be NaMnFe(PO4)2" +mp-1210435,Na2MnP2,-4.101807966,0.4249262125,0.8802850408,0.8802850408,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:Mn-Na-P,5.0,AB2C2_tP5_123_a_g_g:Mn-Na-P +mp-1210501,Na2Mn3(PO4)3,-7.830435232,-2.5438718061,0.0,-0.0078253723,GGA+U,C2/c,A3B2C12D3_mC80_15_ef_ae_6f_ef:Mn-Na-O-P,40.0,A3B2C12D3_mC80_15_ef_ae_6f_ef:Mn-Na-O-P +mp-1198166,Na2MnP2O7,-7.3750342527,-2.6033265968,0.0003653942,0.0003653942,GGA+U,P1,AB2C7D2_aP48_1_4a_8a_28a_8a:Mn-Na-O-P,48.0,AB2C7D2_aP48_1_4a_8a_28a_8a:Mn-Na-O-P +mp-559012,Na2MnP2O7,-7.3731333173,-2.6014256614,0.0022663296,0.0022663296,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Mn-Na-O-P,48.0,AB2C7D2_aP24_2_i_2i_7i_2i:Mn-Na-O-P +mp-682064,Na2MnP2O7,-5.0287478146,-0.2570401587,2.3466518323,2.3466518323,GGA+U,P-1,AB2C7D2_aP24_2_i_2i_7i_2i:Mn-Na-O-P,24.0,"Invalid WP multiplicities - AB2C7D2_aP24_2_i_2i_11i_2i:Mn-Na-O-P, expected Na2MnP2O11 to be Na2MnP2O7" +mp-1012742,NaMn3P3O13,-7.8658097805,-2.3980381837,0.0004863832,0.0004863832,GGA+U,P2_1/m,A3BC13D3_mP40_11_a2e_e_7e3f_3e:Mn-Na-O-P,40.0,"Invalid WP multiplicities - A3BC13D3_mP40_11_2a3e_e_12e11f_3e:Mn-Na-O-P, expected NaMn5P3O34 to be NaMn3P3O13" +mp-778858,Na6Mn3(PO4)4,-7.1735968598,-2.4763062721,0.0858011391,0.0858011391,GGA+U,Cc,A3B6C16D4_mC116_9_3a_6a_16a_4a:Mn-Na-O-P,58.0,"Invalid WP multiplicities - A3B6C16D4_mC116_9_4a_10a_30a_6a:Mn-Na-O-P, expected Na5Mn2(PO5)3 to be Na6Mn3(PO4)4" +mp-1173827,NaCdFe(PO4)2,-7.0747340369,-2.3735378087,0.0048765355,0.0048765355,GGA+U,P1,ABCD8E2_aP78_1_6a_6a_6a_48a_12a:Cd-Fe-Na-O-P,78.0,ABCD8E2_aP78_1_6a_6a_6a_48a_12a:Cd-Fe-Na-O-P +mp-1173862,NaCdFe(PO4)2,-6.3168614482,-1.61566522,0.7627491242000001,0.7627491242000001,GGA+U,P1,ABCD8E2_aP78_1_6a_6a_6a_48a_12a:Cd-Fe-Na-O-P,78.0,ABCD8E2_aP78_1_6a_6a_6a_48a_12a:Cd-Fe-Na-O-P +mp-1221478,Na2Cd2Fe(PO4)3,-6.7984955425,-2.3704443739,0.0147710651,0.0147710651,GGA+U,C2,A2BC2D12E3_mC80_5_abc_c_abc_12c_ab2c:Cd-Fe-Na-O-P,40.0,A2BC2D12E3_mC80_5_abc_c_abc_12c_ab2c:Cd-Fe-Na-O-P +mp-1210502,Na2Mn2Cd(PO4)3,-7.3558879908,-2.4812808414,0.0,-0.0036119797,GGA+U,C2/c,AB2C2D12E3_mC80_15_e_f_ae_6f_ef:Cd-Mn-Na-O-P,40.0,AB2C2D12E3_mC80_15_e_f_ae_6f_ef:Cd-Mn-Na-O-P +mp-578949,Na4Mn3P4O15,-7.5363515636,-2.589055881,0.0,-0.0005483148,GGA+U,Pna2_1,A3B4C15D4_oP104_33_3a_4a_15a_4a:Mn-Na-O-P,104.0,"Invalid WP multiplicities - A3B4C15D4_oP104_33_9a_14a_56a_13a:Mn-Na-O-P, expected Na14Mn9P13O56 to be Na4Mn3P4O15" +mp-1173719,Na2Mn2Fe(PO4)3,-7.758131784,-2.5061680622,0.0066060549,0.0066060549,GGA+U,C2,AB2C2D12E3_mC80_5_c_abc_abc_12c_ab2c:Fe-Mn-Na-O-P,40.0,AB2C2D12E3_mC80_5_c_abc_abc_12c_ab2c:Fe-Mn-Na-O-P +mp-1099034,NaMn2P2O9,-7.7360269211,-2.3793584002,0.0,-0.0011609907,GGA+U,Pnma,A2BC9D2_oP56_62_ac_c_5c2d_2c:Mn-Na-O-P,56.0,"Invalid WP multiplicities - A2BC9D2_oP56_62_ac_c_7c2d_2c:Mn-Na-O-P, expected NaMn2P2O11 to be NaMn2P2O9" +mp-17967,NaMnPO4,-7.66306422,-2.5652645147,0.0105536954,-0.019722972,GGA+U,Pnma,ABC4D_oP28_62_a_c_2cd_c:Mn-Na-O-P,28.0,ABC4D_oP28_62_a_c_2cd_c:Mn-Na-O-P +mp-775855,NaMnPO4,-7.6736179154,-2.57581821,0.0,-0.0302766674,GGA+U,Pnma,ABC4D_oP28_62_c_a_2cd_c:Mn-Na-O-P,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_a_6c3d_c:Mn-Na-O-P, expected NaMnPO12 to be NaMnPO4" +mp-1221002,Na7Mn4Fe8(PO4)12,-7.7203989708,-2.4537331971,0.0,-4.71315e-05,GGA+U,C2,A8B4C7D48E12_mC158_5_4c_abc_a3c_24c_ab5c:Fe-Mn-Na-O-P,79.0,"Invalid WP multiplicities - A8B4C7D48E12_mC158_5_7c_abc_a5c_42c_ab8c:Fe-Mn-Na-O-P, expected Na11Mn4Fe14(P3O14)6 to be Na7Mn4Fe8(PO4)12" +mp-1173834,Na6Mn7Fe6(PO4)12,-7.85802689,-2.4746082282,0.0052416704,0.0052416704,GGA+U,P1,A6B7C6D48E12_aP79_1_6a_7a_6a_48a_12a:Fe-Mn-Na-O-P,79.0,A6B7C6D48E12_aP79_1_6a_7a_6a_48a_12a:Fe-Mn-Na-O-P +mp-1221365,Na2MnCdFe(PO4)3,-7.2853003612,-2.4452929161,0.0051909427,0.0051909427,GGA+U,P1,ABCD2E12F3_aP40_1_2a_2a_2a_4a_24a_6a:Cd-Fe-Mn-Na-O-P,40.0,ABCD2E12F3_aP40_1_2a_2a_2a_4a_24a_6a:Cd-Fe-Mn-Na-O-P +mp-1173728,Na2MnCdFe(PO4)3,-7.2870726938,-2.4470652486,0.0034186102,0.0034186102,GGA+U,C2,ABCD2E12F3_mC80_5_ab_c_c_abc_12c_ab2c:Cd-Fe-Mn-Na-O-P,40.0,ABCD2E12F3_mC80_5_ab_c_c_abc_12c_ab2c:Cd-Fe-Mn-Na-O-P +mp-1173820,Na2MnCdFe(PO4)3,-6.5375185565,-1.6975111113,0.7529727475,0.7529727475,GGA+U,C2,ABCD2E12F3_mC80_5_ab_c_c_abc_12c_ab2c:Cd-Fe-Mn-Na-O-P,40.0,"Invalid WP multiplicities - ABCD2E12F3_mC80_5_ab_c_c_ab2c_22c_ab4c:Cd-Fe-Mn-Na-O-P, expected Na3MnCdFeP5O22 to be Na2MnCdFe(PO4)3" +mp-2714998,Na2TaTiSi2PO12,-8.2355809258,-3.0765007503,0.0294764874,0.0294764874,GGA,Cc,A2B12CD2EF_mC76_9_2a_12a_a_2a_a_a:Na-O-P-Si-Ta-Ti,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC76_9_2a_72a_a_12a_a_a:Na-O-P-Si-Ta-Ti, expected Na2TaTiSi12PO72 to be Na2TaTiSi2PO12" +mp-2716500,Na5Ta2Ti2Si5PO24,-8.1367399845,-3.0757249208,0.0321604259,0.0321604259,GGA,P1,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Ti,117.0,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Ti +mp-2715682,NaTaTiSi(PO6)2,-8.4492979198,-3.0777433355,0.0121536125,0.0121536125,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-P-Si-Ta-Ti,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-P-Si-Ta-Ti, expected NaTaTiSiP3O20 to be NaTaTiSi(PO6)2" +mp-2713089,Na3Ta2Ti2Si3(PO8)3,-8.3463212832,-3.0838751791,0.0151774578,0.0151774578,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Ti,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Ti +mp-2713953,NaTaTi3(PO4)6,-8.398161439,-3.0248150652,0.0062326161,0.0062326161,GGA,P3,AB24C6DE3_hP105_143_a2b_24d_6d_2ac_2a4b3c:Na-O-P-Ta-Ti,105.0,AB24C6DE3_hP105_143_a2b_24d_6d_2ac_2a4b3c:Na-O-P-Ta-Ti +mp-2715677,NaTa2Ti2SiP5O24,-8.5490671845,-3.0621693496,0.0164374081,0.0164374081,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Ti,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Ti +mp-1227789,Ca8Be5Al3(Si9O28)2,-7.8847090613,-3.2108325811,0.0514584959,0.0514584959,GGA,C2,A3B5C8D56E18_mC180_5_a2b_a2c_4c_28c_2a2b7c:Al-Be-Ca-O-Si,90.0,A3B5C8D56E18_mC180_5_a2b_a2c_4c_28c_2a2b7c:Al-Be-Ca-O-Si +mp-1214270,Ca4Be2Al2Si9O28,-7.9238308776,-3.2498859199,0.041530772,0.041530772,GGA,Cmcm,A2B2C4D28E9_oC180_63_e_g_h_2f2g5h_cefh:Al-Be-Ca-O-Si,90.0,A2B2C4D28E9_oC180_63_e_g_h_2f2g5h_cefh:Al-Be-Ca-O-Si +mp-693620,KCa2Be2Al(Si2O5)6,-8.0798833672,-3.2913317429,0.0,-0.0044666385,GGA,Ccc2,AB2C2DE30F12_oC192_37_c_ac_d_b_15d_6d:Al-Be-Ca-K-O-Si,96.0,"Invalid WP multiplicities - AB2C2DE30F12_oC192_37_c_ac_d_b_59d_24d:Al-Be-Ca-K-O-Si, expected KCa2Be2Al(Si24O59)2 to be KCa2Be2Al(Si2O5)6" +mp-1209301,RbCu2H3(SeO5)2,-5.4512657317,-1.2392748641,0.0106036644,0.0106036644,GGA,C2/m,A2B3C10DE2_mC36_12_e_ai_3ij_c_i:Cu-H-O-Rb-Se,18.0,A2B3C10DE2_mC36_12_e_ci_3ij_a_i:Cu-H-O-Rb-Se +mp-766026,RbCuSb2H2Se4O,-4.3800527377,-0.8297318346,0.0172581265,0.0172581265,GGA,Pnma,AB2CDE2F4_oP44_62_c_d_c_c_2c_4c:Cu-H-O-Rb-Sb-Se,44.0,"Invalid WP multiplicities - AB2CDE2F4_oP44_62_c_d_c_c_5c_13c:Cu-H-O-Rb-Sb-Se, expected RbCuSb5H2Se13O to be RbCuSb2H2Se4O" +mp-510018,Rb2CuH12(SeO7)2,-5.3319412547,-1.3636040847,0.0,-0.0018402569,GGA,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-Rb-Se,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-Rb-Se +mp-1104573,RbCu2(SeO5)2,-5.46364936,-1.087805528,0.0253931781,0.0253931781,GGA,C2/m,A2B10CD2_mC30_12_f_3ij_a_i:Cu-O-Rb-Se,15.0,A2B10CD2_mC30_12_e_3ij_a_i:Cu-O-Rb-Se +mp-2715233,Na3AlSiGe(PO6)2,-7.0970466322,-2.699628275,0.0688520446,0.0688520446,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Al-Ge-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Al-Ge-Na-O-P-Si, expected Na14Al3Si3Ge3(P5O36)2 to be Na3AlSiGe(PO6)2" +mp-2715351,Na3AlSiGe(PO6)2,-7.094480004,-2.6970616468,0.0714186727,0.0714186727,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Al-Ge-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Al-Ge-Na-O-P-Si, expected Na3AlSiGe(PO15)2 to be Na3AlSiGe(PO6)2" +mp-2714683,Na3AlGe3(PO4)6,-7.2496201679,-2.5798207251000003,0.016144706,0.016144706,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Ge-Na-O-P,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Ge-Na-O-P +mp-2714634,Na7Al2Si3Ge2(PO8)3,-7.0328277902,-2.7101137632,0.0733011269,0.0733011269,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Al-Ge-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Al-Ge-Na-O-P-Si +mp-2713191,Na5Al3Ge(PO4)6,-7.2345824033,-2.7814355848,0.0291064973,0.0291064973,GGA,P1,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Al-Ge-Na-O-P,117.0,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Al-Ge-Na-O-P +mp-2716223,Na4AlSi2GePO12,-6.9666714378000005,-2.715104392,0.0750270089,0.0750270089,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Al-Ge-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Al-Ge-Na-O-P-Si, expected Na19AlSi12GePO72 to be Na4AlSi2GePO12" +mp-2716105,Na5Al2SiGe2P5O24,-7.1679726831,-2.6920190043,0.0495005481,0.0495005481,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Ge-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Ge-Na-O-P-Si +mp-2713680,Na2AlGe(PO4)3,-7.2437944402,-2.6851720019,0.0209051316,0.0209051316,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Al-Ge-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Al-Ge-Na-O-P, expected Na2AlGe(PO4)18 to be Na2AlGe(PO4)3" +mp-1188445,Zr5SiPb3,-7.03917699,-0.45009228,0.0,-0.1205249396,GGA,P6_3/mcm,A3BC5_hP18_193_g_b_dg:Pb-Si-Zr,18.0,A3BC5_hP18_193_g_b_dg:Pb-Si-Zr +mp-693759,Zr12Si2Bi2P16PbO72,-8.5295533244,-3.1239238361,0.0086767843,0.0086767843,GGA,P1,A2B72C16DE2F12_aP105_1_2a_72a_16a_a_2a_12a:Bi-O-P-Pb-Si-Zr,105.0,A2B72C16DE2F12_aP105_1_2a_72a_16a_a_2a_12a:Bi-O-P-Pb-Si-Zr +mp-1220453,Nb6SnS8,-7.7562822333,-1.2423488313,0.0525594337,0.0525594337,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-S-Sn,15.0,A6B8C_hP15_147_g_dg_a:Nb-S-Sn +mp-2715784,Nb2Si2SO12,-8.3697924663,-2.8080300815,0.0,-0.0032710415,GGA,Cc,A2B12CD2_mC68_9_2a_12a_a_2a:Nb-O-S-Si,102.0,"Invalid WP multiplicities - A2B12CD2_mC68_9_6a_60a_a_7a:Nb-O-S-Si, expected Nb6Si7SO60 to be Nb2Si2SO12" +mp-2716553,Na10Nb4Si11Sn4SO48,-7.508643561299999,-2.7531978325,0.0495734437,0.0495734437,GGA,P1,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Sn,234.0,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Sn +mp-2715587,NaNbSi2SnSO12,-7.5715626313,-2.5837430396,0.0785307928,0.0785307928,GGA,Cc,ABC12DE2F_mC72_9_a_a_12a_a_2a_a:Na-Nb-O-S-Si-Sn,108.0,"Invalid WP multiplicities - ABC12DE2F_mC72_9_a_a_60a_a_7a_a:Na-Nb-O-S-Si-Sn, expected NaNbSi7SnSO60 to be NaNbSi2SnSO12" +mp-2715537,Na2Nb4Si7Sn4S5O48,-7.5942146382,-2.5200847546,0.0468068896,0.0468068896,GGA,P1,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Sn,210.0,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Sn +mp-2713210,Na5Nb3Si6SnO24,-7.8364719931,-2.9083040266,0.0244206611,0.0244206611,GGA,P1,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Sn,117.0,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Sn +mp-2714227,Na2Nb8Si9(SO16)3,-8.3311949407,-2.8721412133,0.0270339789,0.0270339789,GGA,P1,A2B8C48D3E9_aP210_1_6a_24a_144a_9a_27a:Na-Nb-O-S-Si,210.0,A2B8C48D3E9_aP210_1_6a_24a_144a_9a_27a:Na-Nb-O-S-Si +mp-2712975,Na6Nb4Si9Sn4(SO16)3,-7.5608804881,-2.6547057671000003,0.0843882686,0.0843882686,GGA,P1,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Sn,222.0,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Sn +mp-2713975,NaNbSi3Sn3(SO8)3,-7.2190007965,-2.3373328348,0.0633081157,0.0633081157,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Sn,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Sn +mp-2714018,Nb2Si3Sn2(SO8)3,-7.5884226775,-2.422905426,0.0428438154,0.0428438154,GGA,P1,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Sn,102.0,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Sn +mp-9586,NbSnS2,-6.7048418488,-1.1088976916,0.0,-0.000689615,GGA,P6_3/mmc,AB2C_hP8_194_c_e_a:Nb-S-Sn,8.0,AB2C_hP8_194_c_e_a:Nb-S-Sn +mp-557640,Nb3SnS6,-7.2430683095,-1.3298496919,0.0,-0.055452678,GGA,P6_322,A3B6C_hP20_182_af_i_c:Nb-S-Sn,20.0,"Invalid WP multiplicities - A3B6C_hP20_182_2a3f_i_c:Nb-S-Sn, expected Nb8SnS6 to be Nb3SnS6" +mp-9407,Nb3SnS6,-7.242923702,-1.3297050844,0.0001446075,-0.0553080705,GGA,P6_3/mcm,A3B6C_hP20_193_ac_k_b:Nb-S-Sn,20.0,A3B6C_hP20_193_ac_k_b:Nb-S-Sn +mp-2714939,Na4Nb2Si5Sn2SO24,-7.5335326515,-2.7047057028,0.0746068677,0.0746068677,GGA,P1,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Sn,114.0,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Sn +mp-2712879,Na7NbSi6(SnO8)3,-7.1588411771,-2.7037159354,0.0189255502,0.0189255502,GGA,P1,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Sn,123.0,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Sn +mp-2715316,Na3NbSi3SnO12,-7.4872859874,-2.8015524174,0.0235046293,0.0235046293,GGA,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Na-Nb-O-Si-Sn,80.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_3a_a_30a_6a_a:Na-Nb-O-Si-Sn, expected Na3NbSi6SnO30 to be Na3NbSi3SnO12" +mp-2715333,Na3NbSi3SnO12,-7.4865473297,-2.8008137596,0.024243287,0.024243287,GGA,Cc,A3BC12D3E_mC240_9_9a_3a_36a_9a_3a:Na-Nb-O-Si-Sn,120.0,"Invalid WP multiplicities - A3BC12D3E_mC240_9_14a_3a_72a_18a_3a:Na-Nb-O-Si-Sn, expected Na14Nb3Si18(SnO24)3 to be Na3NbSi3SnO12" +mp-2714419,Na6Nb8Si11SO48,-8.2472818951,-2.9769900246,0.038719366,0.038719366,GGA,P1,A6B8C48DE11_aP222_1_18a_24a_144a_3a_33a:Na-Nb-O-S-Si,222.0,A6B8C48DE11_aP222_1_18a_24a_144a_3a_33a:Na-Nb-O-S-Si +mp-2713479,Na2Nb4Si5SO24,-8.2950699211,-2.9330188146,0.0451880482,0.0451880482,GGA,P1,A2B4C24DE5_aP108_1_6a_12a_72a_3a_15a:Na-Nb-O-S-Si,108.0,A2B4C24DE5_aP108_1_6a_12a_72a_3a_15a:Na-Nb-O-S-Si +mp-1227877,Ca4Mn5Al(Si3O14)2,-7.9254256059,-2.7291246081,0.1119938577,0.1119938577,GGA+U,P-1,AB4C5D28E6_aP44_2_a_2i_bcdef_14i_3i:Al-Ca-Mn-O-Si,44.0,"Invalid WP multiplicities - AB4C5D28E6_aP44_2_a_2i_bcdef_20i_3i:Al-Ca-Mn-O-Si, expected Ca4Mn5Al(Si3O20)2 to be Ca4Mn5Al(Si3O14)2" +mp-1229075,Al9Si2BO19,-8.0431703332,-3.3584188553,0.0132139068,0.0132139068,GGA,Cm,A9BC19D2_mC62_8_5a2b_a_11a4b_2a:Al-B-O-Si,31.0,A9BC19D2_mC62_8_5a2b_a_11a4b_2a:Al-B-O-Si +mp-1227903,Ca2MnAl2Si3O13,-7.9441857845,-3.1228870203,0.082572646,0.082572646,GGA+U,P2_1/m,A2B2CD13E3_mP42_11_ae_2e_d_7e3f_3e:Al-Ca-Mn-O-Si,42.0,A2B2CD13E3_mP42_11_ae_2e_b_7e3f_3e:Al-Ca-Mn-O-Si +mp-1019381,Al7Si3BO18,-8.0981931216,-3.3321664501,0.0169303284,0.0169303284,GGA,Pnma,A7BC18D3_oP116_62_c3d_c_4c7d_cd:Al-B-O-Si,116.0,A7BC18D3_oP116_62_c3d_c_4c7d_cd:Al-B-O-Si +mp-1204491,Ca2MnAl2Si4BO16,-8.0829291798,-3.1524657189,0.0753888767,0.0753888767,GGA+U,P-1,A2BC2DE16F4_aP52_2_2i_i_2i_i_16i_4i:Al-B-Ca-Mn-O-Si,52.0,A2BC2DE16F4_aP52_2_2i_i_2i_i_16i_4i:Al-B-Ca-Mn-O-Si +mp-1227703,Ca6Mn3Al(SiO6)4,-7.5246266279,-2.6907576233,0.1841572327,0.1841572327,GGA+U,C2/c,AB6C3D24E4_mC152_15_a_2e2f_bcd_12f_2ef:Al-Ca-Mn-O-Si,76.0,"Invalid WP multiplicities - AB6C3D24E4_mC152_15_a_2e3f_bcd_24f_2e2f:Al-Ca-Mn-O-Si, expected Ca8Mn3Al(SiO8)6 to be Ca6Mn3Al(SiO6)4" +mp-727393,Ca2MnAl2Si4BO15,-8.0179731872,-3.0881587363,0.1505563896,0.1505563896,GGA+U,P-1,A2BC2DE15F4_aP50_2_2i_i_2i_i_15i_4i:Al-B-Ca-Mn-O-Si,50.0,A2BC2DE15F4_aP50_2_2i_i_2i_i_15i_4i:Al-B-Ca-Mn-O-Si +mp-2715499,Na3LaTiSi(PO6)2,-7.5726567005,-2.9520935715,0.1375184774,0.1375184774,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:La-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:La-Na-O-P-Si-Ti, expected Na3LaTiSi(PO15)2 to be Na3LaTiSi(PO6)2" +mp-2715357,Na3LaTiSi(PO6)2,-7.5754832528,-2.9549201237,0.1346919251,0.1346919251,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:La-Na-O-P-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:La-Na-O-P-Si-Ti, expected Na14La3Ti3Si3(P5O36)2 to be Na3LaTiSi(PO6)2" +mp-2715788,Na7La4SiP5O24,-7.4280427096,-3.032577707,0.0708131119,0.0708131119,GGA,P1,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:La-Na-O-P-Si,123.0,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:La-Na-O-P-Si +mp-2714686,Na7La2Ti2Si3(PO8)3,-7.546423998,-3.0060077546,0.0738943014,0.0738943014,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Ti,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Ti +mp-2715259,Na3La2(PO4)3,-7.5411245815,-3.0691364742,0.0538569007,0.0538569007,GGA,Cc,A2B3C12D3_mC80_9_2a_3a_12a_3a:La-Na-O-P,80.0,"Invalid WP multiplicities - A2B3C12D3_mC80_9_5a_3a_30a_6a:La-Na-O-P, expected Na3La5(PO5)6 to be Na3La2(PO4)3" +mp-2715461,Na3La2(PO4)3,-7.5406551906,-3.0686670833,0.0543262916,0.0543262916,GGA,Cc,A2B3C12D3_mC240_9_6a_9a_36a_9a:La-Na-O-P,120.0,"Invalid WP multiplicities - A2B3C12D3_mC240_9_6a_13a_72a_18a:La-Na-O-P, expected Na13La6(PO4)18 to be Na3La2(PO4)3" +mp-1232374,LaSiP3,-6.054234707,-0.733988176,0.0,-0.0159337368,GGA,Pna2_1,AB3C_oP40_33_2a_6a_2a:La-P-Si,40.0,AB3C_oP40_33_2a_6a_2a:La-P-Si +mp-1232371,LaSiP3,-5.962052563,-0.6418060320000001,0.092182144,0.0762484072,GGA,Pbca,AB3C_oP40_61_c_3c_c:La-P-Si,40.0,"Invalid WP multiplicities - AB3C_oP40_61_c_14c_c:La-P-Si, expected LaSiP14 to be LaSiP3" +mp-562731,La4Ti9(Si2O15)2,-9.0897070721,-3.5385285609,0.0031513121,0.0031513121,GGA,C2/m,A4B30C4D9_mC94_12_2i_7i4j_2i_a2ij:La-O-Si-Ti,47.0,"Invalid WP multiplicities - A4B30C4D9_mC94_12_4i_13i13j_2i_a4i3j:La-O-Si-Ti, expected La8Ti21(Si2O39)2 to be La4Ti9(Si2O15)2" +mp-560771,La4Ti9(Si2O15)2,-9.0895057245,-3.5383272132,0.0033526598,0.0033526598,GGA,C2/m,A4B30C4D9_mC94_12_2i_7i4j_2i_a2ij:La-O-Si-Ti,47.0,"Invalid WP multiplicities - A4B30C4D9_mC94_12_3i_14i15j_2i_a4i4j:La-O-Si-Ti, expected La6Ti25(SiO22)4 to be La4Ti9(Si2O15)2" +mp-2716079,Na5La2Ti2SiP5O24,-7.7009414174,-2.9961213061,0.0936206699,0.0936206699,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Ti +mp-1210985,Na3La(PO4)2,-7.1955099379,-2.9595315315,0.0,-0.0141487765,GGA,Pca2_1,AB3C8D2_oP112_29_2a_6a_16a_4a:La-Na-O-P,112.0,AB3C8D2_oP112_29_2a_6a_16a_4a:La-Na-O-P +mp-560939,NaLaP2O7,-7.819872988,-3.1187858615,0.0,-0.0064990033,GGA,Pnma,ABC7D2_oP44_62_c_c_3c2d_2c:La-Na-O-P,44.0,"Invalid WP multiplicities - ABC7D2_oP44_62_c_c_12c11d_5c:La-Na-O-P, expected NaLaP5O34 to be NaLaP2O7" +mp-29186,La(SiP3)2,-5.8118563153,-0.4489165147,0.0034468855,0.0034468855,GGA,Cmc2_1,AB6C2_oC144_36_4a_8a8b_4b:La-P-Si,72.0,"Invalid WP multiplicities - AB6C2_oC144_36_4a_10a12b_5b:La-P-Si, expected La2Si5P17 to be La(SiP3)2" +mp-2715727,Na4LaTiSi2PO12,-7.4069098913,-2.9428240153000003,0.1221039008,0.1221039008,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:La-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:La-Na-O-P-Si-Ti, expected Na19LaTiSi12PO72 to be Na4LaTiSi2PO12" +mp-1223983,LaTi6(PO4)9,-8.4627725482,-3.0952826372,0.0,-0.0065746751,GGA,P-1,AB36C9D6_aP104_2_i_36i_9i_6i:La-O-P-Ti,104.0,"Invalid WP multiplicities - AB36C9D6_aP104_2_i_72i_18i_12i:La-O-P-Ti, expected LaTi12(PO4)18 to be LaTi6(PO4)9" +mp-2713605,Na2LaTi(PO4)3,-7.7521915503,-2.9586798785,0.1202927081,0.1202927081,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:La-Na-O-P-Ti,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:La-Na-O-P-Ti, expected Na2LaTi(PO4)18 to be Na2LaTi(PO4)3" +mp-6741,NaLa(PO3)4,-7.7692498007,-2.9208049696,0.0,-0.0106943039,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:La-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_15e_4e:La-Na-O-P, expected NaLaP4O15 to be NaLa(PO3)4" +mp-2714732,Na3LaTi3(PO4)6,-7.967799860399999,-3.0004916672,0.0509577151,0.0509577151,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Ti,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Ti +mp-559747,La2Ti2SiO9,-9.0791323325,-3.6785241415,0.0025584017,0.0025584017,GGA,C2/m,A2B9CD2_mC56_12_2i_g4i2j_i_hi:La-O-Si-Ti,28.0,"Invalid WP multiplicities - A2B9CD2_mC56_12_2i_2g8i7j_i_2hi:La-O-Si-Ti, expected La2Ti3SiO24 to be La2Ti2SiO9" +mp-559176,La4Ti5(Si2O11)2,-8.9638811889,-3.542455124,0.0121645169,0.0121645169,GGA,C2/m,A4B22C4D5_mC70_12_2i_5i3j_2i_abce:La-O-Si-Ti,35.0,"Invalid WP multiplicities - A4B22C4D5_mC70_12_3i_10i10j_4i_abcf:La-O-Si-Ti, expected La6Ti5(Si2O15)4 to be La4Ti5(Si2O11)2" +mp-559384,BaNaNdSi2O7,-7.8090595501,-3.3518008247,0.0,-0.0126082591,GGA,Pbca,ABCD7E2_oP96_61_c_c_c_7c_2c:Ba-Na-Nd-O-Si,96.0,"Invalid WP multiplicities - ABCD7E2_oP96_61_c_c_c_52c_9c:Ba-Na-Nd-O-Si, expected BaNaNdSi9O52 to be BaNaNdSi2O7" +mp-561462,Ba2Nd2Si4O13,-8.245894134,-3.5133955573,0.0,-0.0012281454,GGA,P-1,A2B2C13D4_aP42_2_2i_2i_13i_4i:Ba-Nd-O-Si,42.0,"Invalid WP multiplicities - A2B2C13D4_aP42_2_3i_2i_25i_8i:Ba-Nd-O-Si, expected Ba3Nd2Si8O25 to be Ba2Nd2Si4O13" +mp-1210138,NaNd(CO3)2,-7.9493170615,-2.5265034637,0.0,-0.1459742621,GGA,Pmc2_1,A2BCD6_oP20_26_ab_a_b_ab2c:C-Na-Nd-O,20.0,A2BCD6_oP20_26_ab_a_b_ab2c:C-Na-Nd-O +mp-1214692,Ba6NaNd(SiO4)4,-7.5610526389,-3.3305950009,0.0142298582,0.0142298582,GGA,Pmc2_1,A6BCD16E4_oP56_26_3a3b_a_b_4a4b4c_2a2b:Ba-Na-Nd-O-Si,56.0,A6BCD16E4_oP56_26_3a3b_a_b_4a4b4c_2a2b:Ba-Na-Nd-O-Si +mp-1211932,NaNdC4O11,-7.2409322872,-1.510408139,0.6005976390000001,0.6005976390000001,GGA,P2/c,A4BCD11_mP68_13_2e3g_g_g_11g:C-Na-Nd-O,68.0,A4BCD11_mP68_13_2e3g_g_g_11g:C-Na-Nd-O +mp-559586,BaNa2Nd2Si4CO15,-7.951526651,-3.1823031041,0.0,-0.0096709485,GGA,Pnma,ABC2D2E15F4_oP100_62_c_c_d_d_3c6d_2d:Ba-C-Na-Nd-O-Si,100.0,"Invalid WP multiplicities - ABC2D2E15F4_oP100_62_c_c_d_d_12c38d_10d:Ba-C-Na-Nd-O-Si, expected BaNa2Nd2Si20CO88 to be BaNa2Nd2Si4CO15" +mp-559502,Ba3NaNd3(Si3O10)2,-8.1024436536,-3.4700322956000003,0.0,-0.0137853495,GGA,Ama2,A3BC3D20E6_oC132_40_bc_b_ac_4b8c_2b2c:Ba-Na-Nd-O-Si,66.0,"Invalid WP multiplicities - A3BC3D20E6_oC132_40_b2c_b_ac_8b31c_4b6c:Ba-Na-Nd-O-Si, expected Ba5NaNd3(Si8O35)2 to be Ba3NaNd3(Si3O10)2" +mp-13791,BaNaNd(SiO3)3,-7.9285446498,-3.341491306,0.001970906,0.001970906,GGA,P2_12_12_1,ABCD9E3_oP60_19_a_a_a_9a_3a:Ba-Na-Nd-O-Si,60.0,"Invalid WP multiplicities - ABCD9E3_oP60_19_a_a_a_12a_6a:Ba-Na-Nd-O-Si, expected BaNaNd(SiO2)6 to be BaNaNd(SiO3)3" +mp-690914,KNaMg5(Si2O5)6,-7.7640841287,-3.1939044922,0.0009222075,0.0009222075,GGA,P-62c,AB5CD30E12_hP98_190_a_fg_c_2h4i_2i:K-Mg-Na-O-Si,98.0,"Invalid WP multiplicities - AB5CD30E12_hP98_190_a_4f5g_c_12h20i_6i:K-Mg-Na-O-Si, expected KNaMg23(Si3O13)12 to be KNaMg5(Si2O5)6" +mp-1223601,KNaSrMg5(SiO3)8,-7.3375284528,-2.9813561714,0.1346826967,0.1346826967,GGA,P1,AB5CD24E8F_aP40_1_a_5a_a_24a_8a_a:K-Mg-Na-O-Si-Sr,40.0,AB5CD24E8F_aP40_1_a_5a_a_24a_8a_a:K-Mg-Na-O-Si-Sr +mp-1021302,KSrMg6,-1.3705009669,0.1796956207,0.2279304777,0.2279304777,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Sr, expected KSrMg12 to be KSrMg6" +mp-1099307,KSrMg6,-1.3555552637,0.1946413238,0.2428761809,0.2428761809,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Sr +mp-1026852,KSrMg14,-1.4544101056,0.1208282131,0.1555451482,0.1555451482,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Sr, expected KSrMg18 to be KSrMg14" +mp-1026844,KSrMg14,-1.4635040062,0.1117343125,0.1464512476,0.1464512476,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Sr, expected KSrMg26 to be KSrMg14" +mp-559177,Mg7Si8(O11F)2,-7.5781424795,-3.2895626289,0.0020693967,0.0020693967,GGA,Pnnm,A2B7C22D8_oP78_58_g_ae2f_g5h_2h:F-Mg-O-Si,78.0,"Invalid WP multiplicities - A2B7C22D8_oP78_58_g_2a4e6f_4g28h_9h:F-Mg-O-Si, expected Mg11Si18O60F to be Mg7Si8(O11F)2" +mp-1222236,Mg3SiO5F,-6.7519520807,-3.0648440104,0.0803509513,0.0803509513,GGA,Pna2_1,AB3C5D_oP40_33_a_3a_5a_a:F-Mg-O-Si,40.0,"Invalid WP multiplicities - AB3C5D_oP40_33_a_8a_10a_a:F-Mg-O-Si, expected Mg8SiO10F to be Mg3SiO5F" +mp-695597,NaMg3Si4O11F,-7.1546594379,-2.9471748201,0.2738792569,0.2675069939,GGA,P-1,AB3CD11E4_aP80_2_2i_6i_2i_22i_8i:F-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - AB3CD11E4_aP80_2_2i_10i_4i_42i_14i:F-Mg-Na-O-Si, expected Na2Mg5Si7O21F to be NaMg3Si4O11F" +mp-1173631,NaMg3Si4O11F,-7.1994038753,-2.9919192575,0.2291348195,0.2227625566,GGA,P-1,AB3CD11E4_aP80_2_2i_6i_2i_22i_8i:F-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - AB3CD11E4_aP80_2_2i_10i_4i_42i_14i:F-Mg-Na-O-Si, expected Na2Mg5Si7O21F to be NaMg3Si4O11F" +mp-1173560,NaMg3Si4O11F,-7.4285386948,-3.221054077,0.0,-0.0063722629,GGA,C2,AB3CD11E4_mC80_5_c_3a3b_ab_11c_4c:F-Mg-Na-O-Si,40.0,"Invalid WP multiplicities - AB3CD11E4_mC80_5_c_3a3b_ab_22c_8c:F-Mg-Na-O-Si, expected NaMg3Si8O22F to be NaMg3Si4O11F" +mp-1173861,Na3Mg4InSi8(O11F)2,-7.3471876,-3.1178617592,0.0,-0.0089454404,GGA,P1,A2BC4D3E22F8_aP40_1_2a_a_4a_3a_22a_8a:F-In-Mg-Na-O-Si,40.0,A2BC4D3E22F8_aP40_1_2a_a_4a_3a_22a_8a:F-In-Mg-Na-O-Si +mp-1195642,Mg5Si2(O4F)2,-7.00260721,-3.3409305079,0.0,-0.0029527253,GGA,P2_1/c,A2B5C8D2_mP34_14_e_a2e_4e_e:F-Mg-O-Si,34.0,A2B5C8D2_mP34_14_e_a2e_4e_e:F-Mg-O-Si +mp-1194872,Mg10Si3(O7F2)2,-6.8085643073,-3.2866832615,0.0423571615,0.0423571615,GGA,Pnnm,A4B10C14D3_oP62_58_h_efgh_3g2h_ag:F-Mg-O-Si,62.0,A4B10C14D3_oP62_58_h_efgh_3g2h_ag:F-Mg-O-Si +mp-10837,Na2MgInF7,-5.0449036639,-3.1924157421,0.0,-0.0135103396,GGA,Pnma,A7BCD2_oP44_62_3c2d_c_a_bc:F-In-Mg-Na,44.0,A7BCD2_oP44_62_3c2d_c_a_bc:F-In-Mg-Na +mp-1180350,MgSi(OF)6,-5.1763232096,-1.7352800559,0.3261925873,0.3261925873,GGA,P2_1/c,A6BC6D_mP28_14_3e_a_3e_d:F-Mg-O-Si,28.0,A6BC6D_mP28_14_3e_a_3e_b:F-Mg-O-Si +mp-1193358,MgSi(OF)6,-4.671804105,-1.2307609513,0.8307116920000001,0.8307116920000001,GGA,P2_1/c,A6BC6D_mP28_14_3e_a_3e_d:F-Mg-O-Si,28.0,A6BC6D_mP28_14_3e_a_3e_b:F-Mg-O-Si +mp-558458,Mg3Si(O2F)2,-6.802414424,-3.418827328,0.0,-0.004624356,GGA,Pnma,A2B3C4D_oP40_62_d_cd_2cd_c:F-Mg-O-Si,40.0,"Invalid WP multiplicities - A2B3C4D_oP40_62_d_3c4d_6c6d_c:F-Mg-O-Si, expected Mg11Si(O9F)2 to be Mg3Si(O2F)2" +mp-1217962,SrSmAlO4,-7.8084378286,-3.5312363624,0.0269027975,0.0269027975,GGA,I4mm,AB4CD_tI14_107_a_2ab_a_a:Al-O-Sm-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Al-O-Sm-Sr +mp-1218436,SrAlSi5N7O2,-8.0821122313,-1.7814558981,0.0183618682,0.0183618682,GGA,P1,AB7C2D5E_aP16_1_a_7a_2a_5a_a:Al-N-O-Si-Sr,16.0,AB7C2D5E_aP16_1_a_7a_2a_5a_a:Al-N-O-Si-Sr +mp-695285,SrAlSi5N7O2,-7.0808692587,-0.7802129256,1.0196048407,1.0196048407,GGA,Pc,AB7C2D5E_mP32_7_a_7a_2a_5a_a:Al-N-O-Si-Sr,32.0,"Invalid WP multiplicities - AB7C2D5E_mP32_7_a_12a_2a_10a_a:Al-N-O-Si-Sr, expected SrAlSi10(N6O)2 to be SrAlSi5N7O2" +mp-560093,Sr10Sm6Al6Si30N54O7,-7.9945925845,-1.6650616628,0.0016671945,0.0016671945,GGA,Fmm2,A6B54C7D30E6F10_oF452_42_ce_3c2d11e_ace_c7e_b2c_2acde:Al-N-O-Si-Sm-Sr,113.0,"Invalid WP multiplicities - A6B54C7D30E6F10_oF452_42_2c3e_6c4d43e_a2c3e_2c27e_2b4c_2a2cd3e:Al-N-O-Si-Sm-Sr, expected Sr20Sm12Al16Si112N192O17 to be Sr10Sm6Al6Si30N54O7" +mp-1218016,SrSmAl3O7,-7.917677295,-3.5617082902,0.0,-0.0023199921,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Al-O-Sm-Sr,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Al-O-Sm-Sr, expected SrSmAl5O19 to be SrSmAl3O7" +mp-1208675,SrAl4Si2N8O,-7.3173154338,-1.1197478747,0.4761966142,0.4761966142,GGA,Imm2,A4B8CD2E_oI32_44_e_cde_a_c_b:Al-N-O-Si-Sr,16.0,A4B8CD2E_oI32_44_e_cde_a_c_b:Al-N-O-Si-Sr +mp-554390,SrAl2SiN2O3,-7.7469817247,-2.6226462662000003,0.0027824925,0.0027824925,GGA,P2_12_12_1,A2B2C3DE_oP36_19_2a_2a_3a_a_a:Al-N-O-Si-Sr,36.0,"Invalid WP multiplicities - A2B2C3DE_oP36_19_4a_6a_8a_a_a:Al-N-O-Si-Sr, expected SrAl4Si(N3O4)2 to be SrAl2SiN2O3" +mp-695403,Ba2La2MgTi3O12,-8.485028215,-3.5671789788,0.0268150709,0.0268150709,GGA,P-1,A2B2CD12E3_aP60_2_3i_3i_ai_18i_b4i:Ba-La-Mg-O-Ti,60.0,"Invalid WP multiplicities - A2B2CD12E3_aP60_2_4i_6i_a2i_34i_b5i:Ba-La-Mg-O-Ti, expected Ba8La12Mg5Ti11O68 to be Ba2La2MgTi3O12" +mp-1228490,Ba2La2MgTi3O12,-8.4718607165,-3.5540114802,0.0399825694,0.0399825694,GGA,R-3m,A2B2CD12E3_hR60_166_c_c_a_2h_bc:Ba-La-Mg-O-Ti,20.0,"Invalid WP multiplicities - A2B2CD12E3_hR60_166_c_c_a_8h_bc:Ba-La-Mg-O-Ti, expected Ba2La2MgTi3O48 to be Ba2La2MgTi3O12" +mp-744094,Ba2La6Mg4Ti3WO24,-8.3222164225,-3.441710221,0.0687822436,0.0687822436,GGA+U,C2/m,A2B6C4D24E3F_mC160_12_2i_6i_ad3i_8i8j_3i_i:Ba-La-Mg-O-Ti-W,80.0,"Invalid WP multiplicities - A2B6C4D24E3F_mC160_12_4i_11i_ad6i_16i30j_5i_i:Ba-La-Mg-O-Ti-W, expected Ba4La11Mg7Ti5WO76 to be Ba2La6Mg4Ti3WO24" +mp-693600,Ba2La6Mg4Ti3WO24,-8.1156554557,-3.2351492543,0.2753432103,0.2753432103,GGA+U,C2/m,A2B6C4D24E3F_mC160_12_2i_6i_ad3i_8i8j_3i_i:Ba-La-Mg-O-Ti-W,80.0,"Invalid WP multiplicities - A2B6C4D24E3F_mC160_12_4i_11i_ac6i_16i30j_5i_i:Ba-La-Mg-O-Ti-W, expected Ba4La11Mg7Ti5WO76 to be Ba2La6Mg4Ti3WO24" +mp-1228118,Ba3MgTiWO9,-7.9782946347,-3.1295596001,0.0061116227,0.0061116227,GGA+U,P6_3mc,A3BC9DE_hP30_186_a2b_a_3c_b_b:Ba-Mg-O-Ti-W,30.0,"Invalid WP multiplicities - A3BC9DE_hP30_186_a4b_a_5c_b_b:Ba-Mg-O-Ti-W, expected Ba5MgTiWO15 to be Ba3MgTiWO9" +mp-534904,Ba2La2Mg2TiWO12,-8.119315251,-3.2630947024,0.0629024914,0.0629024914,GGA+U,P-3m1,A2B2C2D12EF_hP60_164_c2d_c2d_c2d_6i_ad_bd:Ba-La-Mg-O-Ti-W,60.0,"Invalid WP multiplicities - A2B2C2D12EF_hP60_164_c4d_c4d_2c3d_19i_a2d_b2d:Ba-La-Mg-O-Ti-W, expected Ba10La10Mg10Ti5W5O114 to be Ba2La2Mg2TiWO12" +mp-2714050,Na2Sc4Ga4SiS11O48,-7.0002277428,-2.3080186599,0.0507646953,0.0507646953,GGA,P1,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:Ga-Na-O-S-Sc-Si,210.0,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:Ga-Na-O-S-Sc-Si +mp-2713277,Na2ScGaSi(SO6)2,-6.9582664165,-2.4812086263,0.0940246775,0.0940246775,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-S-Sc-Si,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-S-Sc-Si +mp-2714460,Na4ScGaSi2SO12,-6.8871493852,-2.649148587,0.0934344806,0.0934344806,GGA,P1,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:Ga-Na-O-S-Sc-Si,126.0,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:Ga-Na-O-S-Sc-Si +mp-2716180,Na6Sc2Ga2Si3(SO8)3,-6.9236942906,-2.5721414212,0.109995295,0.109995295,GGA,P1,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:Ga-Na-O-S-Sc-Si,120.0,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:Ga-Na-O-S-Sc-Si +mp-2713781,Na6Sc4Ga4Si3(S3O16)3,-6.9838482483,-2.4389499604,0.0784977151,0.0784977151,GGA,P1,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:Ga-Na-O-S-Sc-Si,222.0,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:Ga-Na-O-S-Sc-Si +mp-2715723,Na14Sc4Ga4Si7S5O48,-6.9061887976000005,-2.6127967451,0.1062621924,0.1062621924,GGA,P1,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:Ga-Na-O-S-Sc-Si,246.0,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:Ga-Na-O-S-Sc-Si +mp-2715743,Na2Sc2Ga2SiS5O24,-6.9891569790000005,-2.3726492769,0.0685843876,0.0685843876,GGA,P1,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:Ga-Na-O-S-Sc-Si,108.0,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:Ga-Na-O-S-Sc-Si +mp-2713794,ScGa(SO4)3,-7.0201340896,-2.2477706035,0.0159662573,0.0159662573,GGA,P321,AB12C3D_hP102_150_3d_12g_ef2g_2cd:Ga-O-S-Sc,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_5d_20g_ef4g_3cd:Ga-O-S-Sc, expected Sc4Ga5(SO4)15 to be ScGa(SO4)3" +mp-2715000,Na10Sc4Ga4Si5S7O48,-6.9388014194,-2.526105127,0.1039504396,0.1039504396,GGA,P1,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:Ga-Na-O-S-Sc-Si,234.0,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:Ga-Na-O-S-Sc-Si +mp-2714771,Na7MgZr3Si3(PO8)3,-7.5904296318,-3.0114674446,0.0304434339,0.0304434339,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Zr,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Zr +mp-2716237,Na8MgZr3Si4(PO12)2,-7.5035686425,-3.0018545832,0.0315296879,0.0315296879,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Zr,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Zr +mp-2716057,Na5MgZr3SiP5O24,-7.7769887277,-3.0316459574,0.0159081683,0.0159081683,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Zr,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Zr +mp-2715235,Na6MgZr3Si2(PO6)4,-7.6878384554,-3.027765734,0.0183842274,0.0183842274,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Zr,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Zr +mp-2715450,Na6MgZr3Si2(PO6)4,-7.6840232993,-3.0239505778,0.0221993836,0.0221993836,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Mg-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Mg-Na-O-P-Si-Zr, expected Na12MgZr6Si4(PO6)8 to be Na6MgZr3Si2(PO6)4" +mp-2714192,Na14Mg5Zr3(PO4)12,-7.205765957,-2.8818568782,0.0087208908,0.0087208908,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Zr,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Zr +mp-690382,Na3MgZr(PO4)3,-7.4210748248,-2.9352883941,0.0054666093,0.0054666093,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Mg-Na-O-P-Zr,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Mg-Na-O-P-Zr +mp-2715444,Na3MgZr(PO4)3,-7.4185693156,-2.9327828849,0.0079721185,0.0079721185,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Mg-Na-O-P-Zr,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Mg-Na-O-P-Zr, expected Na3MgZr(PO5)6 to be Na3MgZr(PO4)3" +mp-2715445,Na3MgZr(PO4)3,-7.4180917628,-2.9323053321,0.0084496713,0.0084496713,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Mg-Na-O-P-Zr,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Mg-Na-O-P-Zr, expected Na14Mg3Zr3(PO4)18 to be Na3MgZr(PO4)3" +mp-2713688,Na4MgZr3(PO4)6,-7.8748910422,-3.0397903258,0.0092418676,0.0092418676,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Zr,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Zr +mp-2715543,Na7Mg2Zr2SiP5O24,-7.3315811567,-2.9226543751,0.0193355685,0.0193355685,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Zr,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Zr +mp-2714407,Na4MgZrSi(PO6)2,-7.2467305837,-2.9110034678,0.0285105521,0.0285105521,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Mg-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Mg-Na-O-P-Si-Zr, expected Na6MgZrSiP3O20 to be Na4MgZrSi(PO6)2" +mp-2715092,Na8Mg3Zr(PO4)6,-7.0055058808,-2.8357657085,0.0070242182,0.0070242182,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Zr,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Zr +mp-1027845,Mg14ZrSi,-2.2599048431,0.0136538669,0.1407748411,0.1407748411,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Si-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Si-Zr, expected Mg18ZrSi to be Mg14ZrSi" +mp-1027858,Mg14ZrSi,-2.2380624438,0.0354962663,0.1626172405,0.1626172405,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Si-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Si-Zr, expected Mg26ZrSi to be Mg14ZrSi" +mp-1221993,MgZrSi2O7,-8.3398028432,-3.2829448687,0.1296342641,0.1296342641,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Mg-O-Si-Zr,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Mg-O-Si-Zr, expected MgZrSi2O13 to be MgZrSi2O7" +mp-2714873,Na6MgZr7(PO4)12,-8.1229985032,-3.099079254,0.0084811502,0.0084811502,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Zr,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Zr +mp-1022461,NaMg6Zr,-2.2836675675,0.1503207104,0.1682713299,0.1682713299,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Zr, expected NaMg12Zr to be NaMg6Zr" +mp-1022488,NaMg6Zr,-2.35167866,0.0823096179,0.1002602374,0.1002602374,GGA,P4/mmm,A6BC_tP8_123_ej_b_d:Mg-Na-Zr,8.0,A6BC_tP8_123_ej_b_d:Mg-Na-Zr +mp-1022456,Mg6ZrSi,-2.921671265,0.025166105,0.2625637876,0.2625637876,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Si-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Si-Zr, expected Mg12ZrSi to be Mg6ZrSi" +mp-1022459,Mg6ZrSi,-2.9158104506,0.0310269194,0.268424602,0.268424602,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Si-Zr,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Si-Zr, expected Mg12ZrSi to be Mg6ZrSi" +mp-1027857,NaMg14Zr,-1.9452516094,0.0718825546,0.0928249439,0.0928249439,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Zr,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Zr, expected NaMg18Zr to be NaMg14Zr" +mp-1027839,NaMg14Zr,-1.9667888744,0.0503452896,0.0712876789,0.0712876789,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Zr,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Zr, expected NaMg26Zr to be NaMg14Zr" +mp-2961,MgSiP2,-4.882946115,-0.4198953417,0.0,-0.064009988,GGA,I-42d,AB2C_tI16_122_a_d_b:Mg-P-Si,8.0,AB2C_tI16_122_a_d_b:Mg-P-Si +mp-1017516,MgSiP2,-4.1840633875,0.2789873858,0.6988827275,0.6348727395,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-P-Si,4.0,AB2C_cF16_225_a_c_b:Mg-P-Si +mp-2716528,Na10Mg3Zr5(PO4)12,-7.6364872809,-2.9805220956,0.0129833336,0.0129833336,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Zr,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Zr +mp-1227049,CaMgS2,-4.981677045,-2.0119821291,0.0267607925,0.0267607925,GGA,R-3m,ABC2_hR12_166_a_b_c:Ca-Mg-S,4.0,ABC2_hR12_166_a_b_c:Ca-Mg-S +mp-2713319,Na10Ca4Mg4SiS11O48,-6.4727146875,-2.4212262598,0.060256279,0.060256279,GGA,P1,A4B4C10D48E11F_aP234_1_12a_12a_30a_144a_33a_3a:Ca-Mg-Na-O-S-Si,234.0,A4B4C10D48E11F_aP234_1_12a_12a_30a_144a_33a_3a:Ca-Mg-Na-O-S-Si +mp-2714724,Na2CaMg(SO4)3,-6.507069186,-2.4007247306,0.025398996,0.025398996,GGA,P1,ABC2D12E3_aP114_1_6a_6a_12a_72a_18a:Ca-Mg-Na-O-S,114.0,ABC2D12E3_aP114_1_6a_6a_12a_72a_18a:Ca-Mg-Na-O-S +mp-2713045,Na4CaMgSi(SO6)2,-6.4059533109,-2.5033598155,0.0929695535,0.0929695535,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ca-Mg-Na-O-S-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ca-Mg-Na-O-S-Si +mp-2713935,Na6Ca2Mg2SiS5O24,-6.4466000728,-2.4472248714,0.0796636267,0.0796636267,GGA,P1,A2B2C6D24E5F_aP120_1_6a_6a_18a_72a_15a_3a:Ca-Mg-Na-O-S-Si,120.0,A2B2C6D24E5F_aP120_1_6a_6a_18a_72a_15a_3a:Ca-Mg-Na-O-S-Si +mp-2714555,Na14Ca4Mg4Si3(S3O16)3,-6.4265354804,-2.4767313967,0.0857243768,0.0857243768,GGA,P1,A4B4C14D48E9F3_aP246_1_12a_12a_42a_144a_27a_9a:Ca-Mg-Na-O-S-Si,246.0,A4B4C14D48E9F3_aP246_1_12a_12a_42a_144a_27a_9a:Ca-Mg-Na-O-S-Si +mp-1229186,CaMg2(SO4)3,-6.7742739642,-2.4978420689,0.0019094397,-0.0023863161,GGA,P2_1,AB2C12D3_mP144_4_4a_8a_48a_12a:Ca-Mg-O-S,144.0,"Invalid WP multiplicities - AB2C12D3_mP144_4_7a_14a_96a_24a:Ca-Mg-O-S, expected Ca7Mg14(SO4)24 to be CaMg2(SO4)3" +mp-554094,CaMg2(SO4)3,-6.7761834039,-2.4997515086,0.0,-0.0042957558,GGA,P6_3/m,AB2C12D3_hP36_176_b_f_2hi_h:Ca-Mg-O-S,36.0,"Invalid WP multiplicities - AB2C12D3_hP36_176_b_f_9h6i_h:Ca-Mg-O-S, expected CaMg2(SO21)3 to be CaMg2(SO4)3" +mp-41236,Ba2La2Zn(WO6)2,-8.13093808,-2.8548205697,0.1077803771,0.1077803771,GGA+U,R-3m,A2B2C12D2E_hR57_166_c_c_2h_c_a:Ba-La-O-W-Zn,19.0,"Invalid WP multiplicities - A2B2C12D2E_hR57_166_c_c_3h_c_a:Ba-La-O-W-Zn, expected Ba2La2Zn(WO9)2 to be Ba2La2Zn(WO6)2" +mp-20958,Ba2LaReO6,-8.052393515,-2.9625318713,0.0244768426,0.0244768426,GGA,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-La-O-Re +mp-631343,LaRe2W,-10.07708857,0.6187093562,0.6187093562,0.6187093562,GGA,F-43m,AB2C_cF16_216_a_bc_d:La-Re-W,4.0,AB2C_cF16_216_a_bc_d:La-Re-W +mp-684996,Ba3LaZnReWO12,-7.82847921,-2.7381846055,0.061190627,0.061190627,GGA+U,R3m,A3BC12DEF_hR57_160_3a_a_4b_a_a_a:Ba-La-O-Re-W-Zn,19.0,A3BC12DEF_hR57_160_3a_a_4b_a_a_a:Ba-La-O-Re-W-Zn +mp-549970,Ba2ZnReO6,-7.257215459,-2.5349801648,0.0169826015,0.0169826015,GGA,Fm-3m,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Zn,10.0,A2B6CD_cF40_225_c_e_a_b:Ba-O-Re-Zn +mp-1219466,Sc2(NbSi)3,-8.0784072719,-0.6728063444,0.0153154982,0.0153154982,GGA,Amm2,A3B2C3_oC32_38_df_abe_abde:Nb-Sc-Si,16.0,A3B2C3_oC32_38_df_abe_abde:Nb-Sc-Si +mp-2713078,Na3ScNb3Si3(PO8)3,-8.1897432859,-3.0048689404,0.0351873049,0.0351873049,GGA,P1,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Na-Nb-O-P-Sc-Si,111.0,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Na-Nb-O-P-Sc-Si +mp-2713359,Na10ScNb7(SiO4)12,-8.0500518259,-3.0140039821,0.0295655475,0.0295655475,GGA,P1,A10B7C48DE12_aP234_1_30a_21a_144a_3a_36a:Na-Nb-O-Sc-Si,234.0,A10B7C48DE12_aP234_1_30a_21a_144a_3a_36a:Na-Nb-O-Sc-Si +mp-2715994,Na5Sc3NbSiP5O24,-7.8238194397,-3.0309040946,0.0338057691,0.0338057691,GGA,P1,A5BC24D5E3F_aP117_1_15a_3a_72a_15a_9a_3a:Na-Nb-O-P-Sc-Si,117.0,A5BC24D5E3F_aP117_1_15a_3a_72a_15a_9a_3a:Na-Nb-O-P-Sc-Si +mp-2713761,Na2Sc3Nb5(PO4)12,-8.3406799283,-2.989970338,0.0,-0.0032798838,GGA,P1,A2B5C48D12E3_aP210_1_6a_15a_144a_36a_9a:Na-Nb-O-P-Sc,210.0,A2B5C48D12E3_aP210_1_6a_15a_144a_36a_9a:Na-Nb-O-P-Sc +mp-2716340,Na10Sc7Nb(PO4)12,-7.7936306355,-3.0493417903,0.0121557616,0.0121557616,GGA,P1,A10BC48D12E7_aP234_1_30a_3a_144a_36a_21a:Na-Nb-O-P-Sc,234.0,A10BC48D12E7_aP234_1_30a_3a_144a_36a_21a:Na-Nb-O-P-Sc +mp-2715115,Na7Sc3NbSi3(PO8)3,-7.6402255087,-3.0160113602,0.0409995699,0.0409995699,GGA,P1,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-P-Sc-Si,123.0,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-P-Sc-Si +mp-2713866,NaScNb(PO4)3,-8.1934852744,-3.0070146358,0.0057675481,0.0057675481,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Na-Nb-O-P-Sc,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Na-Nb-O-P-Sc, expected NaScNb(PO12)3 to be NaScNb(PO4)3" +mp-2715608,NaScNb3SiP5O24,-8.3988536293,-2.993960225,0.0078994281,0.0078994281,GGA,P1,AB3C24D5EF_aP105_1_3a_9a_72a_15a_3a_3a:Na-Nb-O-P-Sc-Si,105.0,AB3C24D5EF_aP105_1_3a_9a_72a_15a_3a_3a:Na-Nb-O-P-Sc-Si +mp-2715736,Na2ScNb3Si2(PO6)4,-8.2968479679,-3.0050199132,0.0182148087,0.0182148087,GGA,P1,A2B3C24D4EF2_aP108_1_6a_9a_72a_12a_3a_6a:Na-Nb-O-P-Sc-Si,108.0,A2B3C24D4EF2_aP108_1_6a_9a_72a_12a_3a_6a:Na-Nb-O-P-Sc-Si +mp-2715040,Na4ScNb3Si4(PO12)2,-8.0884220451,-3.0048722661,0.0451286746,0.0451286746,GGA,P1,A4B3C24D2EF4_aP114_1_12a_9a_72a_6a_3a_12a:Na-Nb-O-P-Sc-Si,114.0,A4B3C24D2EF4_aP114_1_12a_9a_72a_6a_3a_12a:Na-Nb-O-P-Sc-Si +mp-2713248,Na4Sc3Nb(PO4)6,-7.9210761989,-3.0371509978,0.0089627536,0.0089627536,GGA,P1,A4BC24D6E3_aP114_1_12a_3a_72a_18a_9a:Na-Nb-O-P-Sc,114.0,A4BC24D6E3_aP114_1_12a_3a_72a_18a_9a:Na-Nb-O-P-Sc +mp-1209126,Sc3(NbSi2)2,-7.3422344139,-0.5754244678,0.2088299364,0.2088299364,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Nb-Sc-Si,36.0,A2B3C4_oP36_62_d_cd_2cd:Nb-Sc-Si +mp-1200765,Sc2Nb3Si4,-7.9745727831,-0.7890032886,0.0,-0.0774355649,GGA,Pnma,A3B2C4_oP36_62_cd_d_2cd:Nb-Sc-Si,36.0,A3B2C4_oP36_62_cd_d_2cd:Nb-Sc-Si +mp-2715680,Na8Sc3NbSi4(PO12)2,-7.5620997877,-3.0162111947,0.0272304461,0.0272304461,GGA,P1,A8BC24D2E3F4_aP126_1_24a_3a_72a_6a_9a_12a:Na-Nb-O-P-Sc-Si,126.0,A8BC24D2E3F4_aP126_1_24a_3a_72a_6a_9a_12a:Na-Nb-O-P-Sc-Si +mp-2713057,Na3Sc2Nb2SiP5O24,-8.0875169722,-3.005152545,0.0315299358,0.0315299358,GGA,P1,A3B2C24D5E2F_aP111_1_9a_6a_72a_15a_6a_3a:Na-Nb-O-P-Sc-Si,111.0,A3B2C24D5E2F_aP111_1_9a_6a_72a_15a_6a_3a:Na-Nb-O-P-Sc-Si +mp-2712987,Na14Sc3Nb5(SiO4)12,-7.7627169234,-2.9997393487,0.0392154661,0.0392154661,GGA,P1,A14B5C48D3E12_aP246_1_42a_15a_144a_9a_36a:Na-Nb-O-Sc-Si,246.0,A14B5C48D3E12_aP246_1_42a_15a_144a_9a_36a:Na-Nb-O-Sc-Si +mp-2713232,Na3ScNbSi2PO12,-7.795927621,-2.9946499646,0.0598084945,0.0598084945,GGA,Cc,A3BC12DEF2_mC80_9_3a_a_12a_a_a_2a:Na-Nb-O-P-Sc-Si,120.0,"Invalid WP multiplicities - A3BC12DEF2_mC80_9_13a_a_72a_a_a_12a:Na-Nb-O-P-Sc-Si, expected Na13ScNbSi12PO72 to be Na3ScNbSi2PO12" +mp-2713264,Na3ScNbSi2PO12,-7.7978917845,-2.9966141282,0.057844331,0.057844331,GGA,Cc,A3BC12DEF2_mC240_9_9a_3a_36a_3a_3a_6a:Na-Nb-O-P-Sc-Si,240.0,"Invalid WP multiplicities - A3BC12DEF2_mC240_9_30a_10a_132a_10a_10a_22a:Na-Nb-O-P-Sc-Si, expected Na15Sc5Nb5Si11P5O66 to be Na3ScNbSi2PO12" +mp-2713914,ScNb3(PO4)6,-8.4836735737,-2.9590639168,0.0,-0.0112430707,GGA,P3,A3B24C6D_hP102_143_2a3b4c_24d_6d_2ab:Nb-O-P-Sc,102.0,A3B24C6D_hP102_143_2a3b4c_24d_6d_2ab:Nb-O-P-Sc +mp-2716487,Na5ScNb3Si5PO24,-7.9942817444,-3.0068604004,0.0435060374,0.0435060374,GGA,P1,A5B3C24DEF5_aP117_1_15a_9a_72a_3a_3a_15a:Na-Nb-O-P-Sc-Si,117.0,A5B3C24DEF5_aP117_1_15a_9a_72a_3a_3a_15a:Na-Nb-O-P-Sc-Si +mp-2714053,Na5Sc2Nb2Si3(PO8)3,-7.8890517467,-2.9988834021,0.0625874987,0.0625874987,GGA,P1,A5B2C24D3E2F3_aP117_1_15a_6a_72a_9a_6a_9a:Na-Nb-O-P-Sc-Si,117.0,A5B2C24D3E2F3_aP117_1_15a_6a_72a_9a_6a_9a:Na-Nb-O-P-Sc-Si +mp-2714746,Na6Sc5Nb3(PO4)12,-8.0528960673,-3.0217865993,0.008111795,0.008111795,GGA,P1,A6B3C48D12E5_aP222_1_18a_9a_144a_36a_15a:Na-Nb-O-P-Sc,222.0,A6B3C48D12E5_aP222_1_18a_9a_144a_36a_15a:Na-Nb-O-P-Sc +mp-2716353,Na4ScNb(SiO4)3,-7.6321248406,-2.9959298909000003,0.0343462875,0.0343462875,GGA,R3c,A4BC12DE3_hR126_161_ab_a_4b_a_b:Na-Nb-O-Sc-Si,126.0,"Invalid WP multiplicities - A4BC12DE3_hR126_161_ab_a_12b_a_b:Na-Nb-O-Sc-Si, expected Na4ScNb(SiO12)3 to be Na4ScNb(SiO4)3" +mp-2714355,Na7Sc2Nb2Si5PO24,-7.7091942953,-2.9924711960000003,0.0541329312,0.0541329312,GGA,P1,A7B2C24DE2F5_aP123_1_21a_6a_72a_3a_6a_15a:Na-Nb-O-P-Sc-Si,123.0,A7B2C24DE2F5_aP123_1_21a_6a_72a_3a_6a_15a:Na-Nb-O-P-Sc-Si +mp-2715411,Na6ScNb3(SiO4)6,-7.9019532267,-3.0058538959,0.0353505924,0.0353505924,GGA,P1,A6B3C24DE6_aP40_1_6a_3a_24a_a_6a:Na-Nb-O-Sc-Si,80.0,"Invalid WP multiplicities - A6B3C24DE6_aP40_1_12a_6a_48a_a_12a:Na-Nb-O-Sc-Si, expected Na12ScNb6(SiO4)12 to be Na6ScNb3(SiO4)6" +mp-2715327,Na6ScNb3(SiO4)6,-7.9030403386,-3.0069410077,0.0342634806,0.0342634806,GGA,P1,A6B3C24DE6_aP120_1_18a_9a_72a_3a_18a:Na-Nb-O-Sc-Si,120.0,A6B3C24DE6_aP120_1_18a_9a_72a_3a_18a:Na-Nb-O-Sc-Si +mp-2712586,Na2ScNbSi(PO6)2,-7.983444314,-2.999706824,0.0530006202,0.0530006202,GGA,Cc,A2BC12D2EF_mC228_9_6a_3a_36a_6a_3a_3a:Na-Nb-O-P-Sc-Si,114.0,"Invalid WP multiplicities - A2BC12D2EF_mC228_9_6a_3a_72a_10a_3a_3a:Na-Nb-O-P-Sc-Si, expected Na6Sc3Nb3Si3(P5O36)2 to be Na2ScNbSi(PO6)2" +mp-2715236,Na6Sc3NbSi2(PO6)4,-7.7346587439,-3.0282027621,0.0370825486,0.0370825486,GGA,P1,A6BC24D4E3F2_aP40_1_6a_a_24a_4a_3a_2a:Na-Nb-O-P-Sc-Si,80.0,"Invalid WP multiplicities - A6BC24D4E3F2_aP40_1_12a_a_48a_8a_6a_4a:Na-Nb-O-P-Sc-Si, expected Na12Sc6NbSi4(PO6)8 to be Na6Sc3NbSi2(PO6)4" +mp-2715302,Na6Sc3NbSi2(PO6)4,-7.7330017588,-3.0265457769,0.0387395338,0.0387395338,GGA,P1,A6BC24D4E3F2_aP120_1_18a_3a_72a_12a_9a_6a:Na-Nb-O-P-Sc-Si,120.0,A6BC24D4E3F2_aP120_1_18a_3a_72a_12a_9a_6a:Na-Nb-O-P-Sc-Si +mp-2712871,Na3Nb3InSi3(PO8)3,-7.9505100845,-2.8624137221,0.0351225206,0.0351225206,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:In-Na-Nb-O-P-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:In-Na-Nb-O-P-Si +mp-2713942,Na2Nb5In3(PO4)12,-7.9531701219,-2.7559227619,0.0,-0.0004571245,GGA,P1,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:In-Na-Nb-O-P,210.0,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:In-Na-Nb-O-P +mp-2713071,Na14Nb5In3(SiO4)12,-7.4415908665,-2.8096176348,0.0391918849,0.0391918849,GGA,P1,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:In-Na-Nb-O-Si,246.0,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:In-Na-Nb-O-Si +mp-2716382,Na10NbIn7(PO4)12,-6.9897449541,-2.5668086425,0.021297711,0.021297711,GGA,P1,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:In-Na-Nb-O-P,234.0,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:In-Na-Nb-O-P +mp-2716535,Na5Nb3InSi5PO24,-7.7652821267,-2.8696757922,0.0478642222,0.0478642222,GGA,P1,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:In-Na-Nb-O-P-Si,117.0,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:In-Na-Nb-O-P-Si +mp-2716423,Na4NbIn(SiO4)3,-7.2067378778,-2.7410565174,0.0417289594,0.0417289594,GGA,R3c,AB4CD12E3_hR126_161_a_ab_a_4b_b:In-Na-Nb-O-Si,126.0,"Invalid WP multiplicities - AB4CD12E3_hR126_161_a_ab_a_12b_b:In-Na-Nb-O-Si, expected Na4NbIn(SiO12)3 to be Na4NbIn(SiO4)3" +mp-2712905,Na3Nb2In2SiP5O24,-7.591635465,-2.702827004,0.0488154715,0.0488154715,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:In-Na-Nb-O-P-Si,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:In-Na-Nb-O-P-Si +mp-2715557,Na2Nb3InSi2(PO6)4,-8.0472141415,-2.8548523472,0.021903483,0.021903483,GGA,P1,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:In-Na-Nb-O-P-Si,108.0,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:In-Na-Nb-O-P-Si +mp-2714140,Na5Nb2In2Si3(PO8)3,-7.4247209437,-2.7181826184,0.0728657134,0.0728657134,GGA,P1,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:In-Na-Nb-O-P-Si,117.0,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:In-Na-Nb-O-P-Si +mp-2715383,Na6NbIn3Si2(PO6)4,-7.0664234161,-2.6285263374,0.0437791378,0.0437791378,GGA,P1,A3B6CD24E4F2_aP40_1_3a_6a_a_24a_4a_2a:In-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - A3B6CD24E4F2_aP40_1_6a_12a_a_48a_8a_4a:In-Na-Nb-O-P-Si, expected Na12NbIn6Si4(PO6)8 to be Na6NbIn3Si2(PO6)4" +mp-2715469,Na6NbIn3Si2(PO6)4,-7.0667381645,-2.6288410858,0.0434643894,0.0434643894,GGA,P1,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:In-Na-Nb-O-P-Si,120.0,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:In-Na-Nb-O-P-Si +mp-2716471,Na6Nb3In5(PO4)12,-7.4452664094,-2.6561018993000003,0.0170167809,0.0170167809,GGA,P1,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:In-Na-Nb-O-P,222.0,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:In-Na-Nb-O-P +mp-2714320,Na5NbIn3SiP5O24,-7.1371682087,-2.6196978925,0.0393781175,0.0393781175,GGA,P1,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:In-Na-Nb-O-P-Si,117.0,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:In-Na-Nb-O-P-Si +mp-2714923,Na7NbIn3Si3(PO8)3,-6.9934181408,-2.6312126783,0.0480969349,0.0480969349,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:In-Na-Nb-O-P-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:In-Na-Nb-O-P-Si +mp-2712807,Na2NbInSi(PO6)2,-7.5035161132,-2.7082410114,0.0669274803,0.0669274803,GGA,Cc,AB2CD12E2F_mC228_9_3a_6a_3a_36a_6a_3a:In-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12E2F_mC228_9_3a_6a_3a_72a_10a_3a:In-Na-Nb-O-P-Si, expected Na6Nb3In3Si3(P5O36)2 to be Na2NbInSi(PO6)2" +mp-2714381,Na7Nb2In2Si5PO24,-7.2797598438,-2.7377092019,0.0553678651,0.0553678651,GGA,P1,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:In-Na-Nb-O-P-Si,123.0,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:In-Na-Nb-O-P-Si +mp-2713550,Na3NbInSi2PO12,-7.346173115,-2.7239347274,0.0715122064,0.0715122064,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:In-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:In-Na-Nb-O-P-Si, expected Na13NbInSi12PO72 to be Na3NbInSi2PO12" +mp-2713305,Na3NbInSi2PO12,-7.3489974886,-2.726759101,0.0686878328,0.0686878328,GGA,Cc,AB3CD12EF2_mC240_9_3a_9a_3a_36a_3a_6a:In-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - AB3CD12EF2_mC240_9_10a_30a_10a_132a_10a_22a:In-Na-Nb-O-P-Si, expected Na15Nb5In5Si11P5O66 to be Na3NbInSi2PO12" +mp-2713817,NaNbIn(PO4)3,-7.6841126382,-2.6965745205,0.0225925031,0.0225925031,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:In-Na-Nb-O-P,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:In-Na-Nb-O-P, expected NaNbIn(PO12)3 to be NaNbIn(PO4)3" +mp-2713494,Na10Nb7In(SiO4)12,-7.9352490451,-2.9451087061,0.0318287115,0.0318287115,GGA,P1,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:In-Na-Nb-O-Si,234.0,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:In-Na-Nb-O-Si +mp-2713551,Na4NbIn3(PO4)6,-7.2121906151,-2.6109589963,0.0185349373,0.0185349373,GGA,P1,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:In-Na-Nb-O-P,114.0,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:In-Na-Nb-O-P +mp-2713061,Na4Nb3InSi4(PO12)2,-7.8559132461,-2.8665946611,0.0450488152,0.0450488152,GGA,P1,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:In-Na-Nb-O-P-Si,114.0,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:In-Na-Nb-O-P-Si +mp-2715367,Na6Nb3In(SiO4)6,-7.6849324416,-2.8783527451,0.0329191248,0.0329191248,GGA,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:In-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB6C3D24E6_aP40_1_a_12a_6a_48a_12a:In-Na-Nb-O-Si, expected Na12Nb6In(SiO4)12 to be Na6Nb3In(SiO4)6" +mp-2715299,Na6Nb3In(SiO4)6,-7.6839674438,-2.8773877472,0.0338841227,0.0338841227,GGA,P1,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:In-Na-Nb-O-Si,120.0,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:In-Na-Nb-O-Si +mp-2715811,NaNb3InSiP5O24,-8.1434740437,-2.8408887929,0.0099687777,0.0099687777,GGA,P1,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:In-Na-Nb-O-P-Si,105.0,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:In-Na-Nb-O-P-Si +mp-2716246,Na8NbIn3Si4(PO12)2,-6.9278334629,-2.6377152539,0.039308086,0.039308086,GGA,P1,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:In-Na-Nb-O-P-Si,126.0,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:In-Na-Nb-O-P-Si +mp-2715706,Na7Ga4SiP5O24,-6.7797002698,-2.5703729337,0.0416066845,0.0416066845,GGA,P1,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:Ga-Na-O-P-Si,123.0,A4B7C24D5E_aP123_1_12a_21a_72a_15a_3a:Ga-Na-O-P-Si +mp-2715284,Na3TaGaSi2PO12,-7.5431361966,-2.8192535649,0.0640836866,0.0640836866,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ga-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:Ga-Na-O-P-Si-Ta, expected Na13TaGaSi12PO72 to be Na3TaGaSi2PO12" +mp-2715324,Na3TaGaSi2PO12,-7.5449718985,-2.8210892668,0.0622479847,0.0622479847,GGA,Cc,AB3C12DE2F_mC240_9_3a_9a_36a_3a_6a_3a:Ga-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - AB3C12DE2F_mC240_9_10a_30a_132a_10a_22a_10a:Ga-Na-O-P-Si-Ta, expected Na15Ta5Ga5Si11P5O66 to be Na3TaGaSi2PO12" +mp-2714538,Na4Ga2Si(PO6)2,-6.7176766557,-2.5767966178,0.053058322,0.053058322,GGA,Cc,A2B4C12D2E_mC252_9_6a_12a_36a_6a_3a:Ga-Na-O-P-Si,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC252_9_6a_21a_72a_10a_3a:Ga-Na-O-P-Si, expected Na21Ga6Si3(P5O36)2 to be Na4Ga2Si(PO6)2" +mp-2715442,Na6TaGa3Si2(PO6)4,-7.1882773838,-2.6857375684,0.0541296412,0.0541296412,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:Ga-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:Ga-Na-O-P-Si-Ta, expected Na12TaGa6Si4(PO6)8 to be Na6TaGa3Si2(PO6)4" +mp-2715253,Na6TaGa3Si2(PO6)4,-7.1905869849,-2.6880471695,0.05182004,0.05182004,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ga-Na-O-P-Si-Ta,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ga-Na-O-P-Si-Ta +mp-2714715,Na6Ta3Ga5(PO4)12,-7.6145347209,-2.7354853563,0.014592955,0.014592955,GGA,P1,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:Ga-Na-O-P-Ta,222.0,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:Ga-Na-O-P-Ta +mp-2716077,Na5TaGa3SiP5O24,-7.2657140783,-2.6819435194,0.0389184083,0.0389184083,GGA,P1,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Ga-Na-O-P-Si-Ta,117.0,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Ga-Na-O-P-Si-Ta +mp-2714833,Na7TaGa3Si3(PO8)3,-7.1211852855,-2.6959137384,0.0575911095,0.0575911095,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ga-Na-O-P-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ga-Na-O-P-Si-Ta +mp-2712863,Na3Ta3GaSi3(PO8)3,-8.2162225372,-2.9782388758,0.0258894663,0.0258894663,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-P-Si-Ta,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-P-Si-Ta +mp-2713989,Na2Ta5Ga3(PO4)12,-8.1998136171,-2.8652576882,0.0,-0.0011401623,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Ga-Na-O-P-Ta,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Ga-Na-O-P-Ta +mp-2713656,Na4TaGa3(PO4)6,-7.3435973461,-2.6743207414,0.0199674377,0.0199674377,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Ga-Na-O-P-Ta,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Ga-Na-O-P-Ta +mp-2715807,NaTa3GaSiP5O24,-8.4201908352,-2.9591532970000003,0.0090615736,0.0090615736,GGA,P1,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:Ga-Na-O-P-Si-Ta,105.0,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:Ga-Na-O-P-Si-Ta +mp-2716304,Na5Ta3GaSi5PO24,-8.0204474586,-2.9826403533,0.0371873736,0.0371873736,GGA,P1,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:Ga-Na-O-P-Si-Ta,117.0,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:Ga-Na-O-P-Si-Ta +mp-2716255,Na8TaGa3Si4(PO12)2,-7.052078192,-2.7003954718000003,0.063392705,0.063392705,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Ga-Na-O-P-Si-Ta,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Ga-Na-O-P-Si-Ta +mp-2712796,Na2TaGaSi(PO6)2,-7.7109081386,-2.8086390956,0.0502875641,0.0502875641,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Ga-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_72a_10a_3a_3a:Ga-Na-O-P-Si-Ta, expected Na6Ta3Ga3Si3(P5O36)2 to be Na2TaGaSi(PO6)2" +mp-2713205,NaTaGa(PO4)3,-7.9049136286,-2.8044374619,0.0033087578,0.0033087578,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ga-Na-O-P-Ta,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Ga-Na-O-P-Ta, expected NaTaGa(PO12)3 to be NaTaGa(PO4)3" +mp-2713800,Ta3Ga(PO4)6,-8.5030429301,-2.9206378412,0.0,-0.0174981902,GGA,P3,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:Ga-O-P-Ta,102.0,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:Ga-O-P-Ta +mp-2715606,Na2Ta3GaSi2(PO6)4,-8.3204763465,-2.9740637171,0.0167055898,0.0167055898,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ga-Na-O-P-Si-Ta,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ga-Na-O-P-Si-Ta +mp-2714306,Na5Ta2Ga2Si3(PO8)3,-7.6271053156,-2.8163164834,0.0570193078,0.0570193078,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ga-Na-O-P-Si-Ta,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ga-Na-O-P-Si-Ta +mp-2714571,Na7Ta2Ga2Si5PO24,-7.4688973059,-2.8276815477,0.0585511805,0.0585511805,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ga-Na-O-P-Si-Ta,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ga-Na-O-P-Si-Ta +mp-2713509,Na10TaGa7(PO4)12,-7.0846515414,-2.6143901191000003,0.0261086731,0.0261086731,GGA,P1,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:Ga-Na-O-P-Ta,234.0,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:Ga-Na-O-P-Ta +mp-2712937,Na3Ta2Ga2SiP5O24,-7.8068456377,-2.8081515074,0.0333637902,0.0333637902,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-Si-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-Si-Ta +mp-2715071,Na4Ta3GaSi4(PO12)2,-8.1147145504,-2.9794530691,0.0337018559,0.0337018559,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Ga-Na-O-P-Si-Ta,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Ga-Na-O-P-Si-Ta +mp-1194858,CaAl2Si3(HO3)4,-7.3001054105,-2.8135656675,0.0068920045,0.0068920045,GGA,Cc,A2BC4D12E3_mC88_9_2a_a_4a_12a_3a:Al-Ca-H-O-Si,44.0,A2BC4D12E3_mC88_9_2a_a_4a_12a_3a:Al-Ca-H-O-Si +mp-1228143,Ca4Be3AlSi9(HO14)2,-7.7833733846,-3.1640795076,0.0166253595,0.0166253595,GGA,C2/m,AB3C4D2E28F9_mC188_12_g_ij_2j_j_4i12j_g2h2i2j:Al-Be-Ca-H-O-Si,,"Invalid WP multiplicities - AB3C4D2E28F9_mC188_12_g_ij_4j_j_4i22j_2g3h2i4j:Al-Be-Ca-H-O-Si, expected Ca8Be3AlSi15(HO24)2 to be Ca4Be3AlSi9(HO14)2" +mp-1228612,Ca4Be3AlSi9H3O28,-7.7498543437,-3.1561139632,0.0,-0.0023473669,GGA,C2/m,AB3C4D3E28F9_mC192_12_g_ij_2j_ij_4i12j_g2h2i2j:Al-Be-Ca-H-O-Si,,"Invalid WP multiplicities - AB3C4D3E28F9_mC192_12_g_ij_4j_ij_4i22j_2g3h2i4j:Al-Be-Ca-H-O-Si, expected Ca8Be3AlSi15(HO16)3 to be Ca4Be3AlSi9H3O28" +mp-568177,CaAlSiH,-4.059337645,-0.4170326988,0.0051827625,0.0051827625,GGA,P3m1,ABCD_hP4_156_a_b_a_c:Al-Ca-H-Si,4.0,ABCD_hP4_156_a_b_a_c:Al-Ca-H-Si +mp-1214670,Ca4Be2Al2Si9(HO14)2,-7.8558021959,-3.2363771919,0.0,-0.0023736514,GGA,Cmcm,A2B2C4D2E28F9_oC188_63_e_g_h_g_2f2g5h_cefh:Al-Be-Ca-H-O-Si,94.0,A2B2C4D2E28F9_oC188_63_e_g_h_g_2f2g5h_cefh:Al-Be-Ca-H-O-Si +mp-1214221,Be3Al2Si6HO18,-7.873208934,-3.0833948913,0.0760424707,0.0760424707,GGA,P6/mcc,A2B3CD18E6_hP60_192_c_f_a_lm_l:Al-Be-H-O-Si,60.0,A2B3CD18E6_hP60_192_c_f_a_lm_l:Al-Be-H-O-Si +mp-1214076,CaAl2Si4(HO6)2,-7.4260671905,-2.7906509864,0.2646747721,0.2646747721,GGA,C2,A2BC2D12E4_mC84_5_2c_c_2c_12c_4c:Al-Ca-H-O-Si,42.0,A2BC2D12E4_mC84_5_2c_c_2c_12c_4c:Al-Ca-H-O-Si +mp-686748,Ca2Al2Si(HO4)2,-7.2605621085,-3.0414533598,0.0003327655,-0.0057572722,GGA,Aea2,A2B2C2D8E_oC120_41_2b_2b_2b_8b_b:Al-Ca-H-O-Si,60.0,"Invalid WP multiplicities - A2B2C2D8E_oC120_41_5b_5b_6b_29b_b:Al-Ca-H-O-Si, expected Ca5Al5SiH6O29 to be Ca2Al2Si(HO4)2" +mp-1227593,Ca2Al2Si(HO4)2,-7.260894874,-3.0417861253,0.0,-0.0060900377,GGA,I-42m,A2B2C2D8E_tI60_121_f_i_i_2ij_d:Al-Ca-H-O-Si,30.0,"Invalid WP multiplicities - A2B2C2D8E_tI60_121_f_i_i_5i4j_d:Al-Ca-H-O-Si, expected Ca2Al2Si(HO13)2 to be Ca2Al2Si(HO4)2" +mp-695251,Ca2Al4Si4H18O25,-6.2517725325,-1.9983562722,0.336035338,0.336035338,GGA,P1,A4B2C18D25E4_aP106_1_8a_4a_36a_50a_8a:Al-Ca-H-O-Si,106.0,A4B2C18D25E4_aP106_1_8a_4a_36a_50a_8a:Al-Ca-H-O-Si +mp-690271,Ca2Al4Si4H18O25,-6.2162031238,-1.9627868636,0.3716047467,0.3716047467,GGA,P1,A4B2C18D25E4_aP106_1_8a_4a_36a_50a_8a:Al-Ca-H-O-Si,106.0,A4B2C18D25E4_aP106_1_8a_4a_36a_50a_8a:Al-Ca-H-O-Si +mp-1214006,CaAl2Si2HO9,-7.2305439907,-2.6798565209,0.4302188767,0.4302188767,GGA,Cmcm,A2BCD9E2_oC60_63_d_c_c_c2fh_f:Al-Ca-H-O-Si,30.0,A2BCD9E2_oC60_63_d_c_c_c2fh_f:Al-Ca-H-O-Si +mp-759686,BeAlSiHO5,-7.5098971581,-2.9502886774,0.0072210359,0.0072210359,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:Al-Be-H-O-Si,36.0,"Invalid WP multiplicities - ABCD5E_mP36_14_e_e_e_17e_e:Al-Be-H-O-Si, expected BeAlSiHO17 to be BeAlSiHO5" +mp-23915,Ca2Al3Si3HO13,-7.7839382665,-3.2737764196,0.0164254757,0.0164254757,GGA,Pnma,A3B2CD13E3_oP88_62_cd_2c_c_7c3d_3c:Al-Ca-H-O-Si,88.0,A3B2CD13E3_oP88_62_cd_2c_c_7c3d_3c:Al-Ca-H-O-Si +mp-1214101,CaAl2Si6(HO4)4,-7.1783165212,-2.5311929598000003,0.3574288838,0.3574288838,GGA,Pc,A2BC4D16E6_mP58_7_2a_a_4a_16a_6a:Al-Ca-H-O-Si,58.0,A2BC4D16E6_mP58_7_2a_a_4a_16a_6a:Al-Ca-H-O-Si +mp-541152,Al2Si2H4O9,-7.10799302,-2.6119406493,0.0132339419,0.0132339419,GGA,P1,A2B4C9D2_aP34_1_4a_8a_18a_4a:Al-H-O-Si,34.0,A2B4C9D2_aP34_1_4a_8a_18a_4a:Al-H-O-Si +mp-1105589,Al2Si2H4O9,-7.0909800806,-2.5949277099,0.0302468813,0.0302468813,GGA,Cm,A2B4C9D2_mC34_8_b_2ab_3a3b_b:Al-H-O-Si,17.0,A2B4C9D2_mC34_8_b_2ab_3a3b_b:Al-H-O-Si +mp-1183270,Al2Si2H4O9,-7.1041686106,-2.6081162399,0.0170583513,0.0170583513,GGA,Cm,A2B4C9D2_mC34_8_b_2ab_3a3b_b:Al-H-O-Si,17.0,A2B4C9D2_mC34_8_b_2ab_3a3b_b:Al-H-O-Si +mp-698132,Al2Si2H4O9,-7.1056224032,-2.6095700326,0.0156045587,0.0156045587,GGA,Cc,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si,34.0,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si +mp-721216,Al2Si2H4O9,-7.1086527088,-2.6126003382,0.0125742531,0.0125742531,GGA,Cc,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si,34.0,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si +mp-720262,Al2Si2H4O9,-6.4578014135,-1.9617490429,0.6634255484,0.6634255484,GGA,Cc,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si,34.0,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si +mp-1183008,Al2Si2H4O9,-6.7453694074,-2.2493170367,0.3758575546,0.3758575546,GGA,Cc,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si,34.0,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si +mp-1198588,Al2Si2H4O9,-7.1064408576,-2.610388487,0.0147861043,0.0147861043,GGA,Cc,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si,34.0,A2B4C9D2_mC68_9_2a_4a_9a_2a:Al-H-O-Si +mp-643829,AlSiHO4,-7.4508242,-2.8293420929,0.0836440493,0.0836440493,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Al-H-O-Si,28.0,ABC4D_mP28_14_e_e_4e_e:Al-H-O-Si +mp-1227798,Ca8Be5Al3Si18(HO14)4,-7.8129266474,-3.193567207,0.0150238872,0.0150238872,GGA,P1,A3B5C8D4E56F18_aP94_1_3a_5a_8a_4a_56a_18a:Al-Be-Ca-H-O-Si,94.0,A3B5C8D4E56F18_aP94_1_3a_5a_8a_4a_56a_18a:Al-Be-Ca-H-O-Si +mp-1214127,CaAl2Si6H10O21,-7.0599731308,-2.5635635531,0.0114575412,0.0114575412,GGA,P2_1,A2BC10D21E6_mP80_4_2a_a_10a_21a_6a:Al-Ca-H-O-Si,80.0,A2BC10D21E6_mP80_4_2a_a_10a_21a_6a:Al-Ca-H-O-Si +mp-707746,CaAl2Si3H6O13,-7.0485890486,-2.6311484428,0.0047007911,0.0047007911,GGA,Cc,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si,50.0,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si +mp-1202683,CaAl2Si3H6O13,-7.041990805,-2.6245501992,0.0112990347,0.0112990347,GGA,Cc,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si,50.0,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si +mp-1203998,CaAl2Si3H6O13,-7.0376153604,-2.6201747546,0.0156744793,0.0156744793,GGA,Cc,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si,50.0,A2BC6D13E3_mC100_9_2a_a_6a_13a_3a:Al-Ca-H-O-Si +mp-743762,Ca2Al4Si8H14O31,-6.5363832559,-2.0746618661,0.5566401049,0.5566401049,GGA,P1,A4B2C14D31E8_aP59_1_4a_2a_14a_31a_8a:Al-Ca-H-O-Si,59.0,A4B2C14D31E8_aP59_1_4a_2a_14a_31a_8a:Al-Ca-H-O-Si +mp-1248247,Ca2Al4Si8H14O31,-6.5717246207,-2.1100032309,0.5212987401,0.5212987401,GGA,P1,A4B2C14D31E8_aP59_1_4a_2a_14a_31a_8a:Al-Ca-H-O-Si,59.0,A4B2C14D31E8_aP59_1_4a_2a_14a_31a_8a:Al-Ca-H-O-Si +mp-734142,Al2Si3(HO4)3,-7.0950250669,-2.4297476459,0.2133273035,0.2133273035,GGA,P2_1,A2B3C12D3_mP80_4_4a_6a_24a_6a:Al-H-O-Si,80.0,A2B3C12D3_mP80_4_4a_6a_24a_6a:Al-H-O-Si +mp-677618,Ca6Al6Si3(HO12)2,-7.3572506457,-3.0575191943,0.1110317938,0.1110317938,GGA,P1,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Al-Ca-H-O-Si,82.0,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Al-Ca-H-O-Si +mp-1264155,Ca6Al6Si3(HO12)2,-7.3737317906,-3.0740003391,0.0945506489,0.0945506489,GGA,P1,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Al-Ca-H-O-Si,82.0,A6B6C2D24E3_aP82_1_12a_12a_4a_48a_6a:Al-Ca-H-O-Si +mp-24601,Al3Si2H3O10,-7.3370639947,-2.796373506,0.0574383117,0.0574383117,GGA,P-1,A3B3C10D2_aP36_2_3i_3i_10i_2i:Al-H-O-Si,36.0,A3B3C10D2_aP36_2_3i_3i_10i_2i:Al-H-O-Si +mp-1197037,Ca2Al4Si4H10O21,-6.9844054215,-2.6306859438,0.0117069123,0.0117069123,GGA,C2/c,A4B2C10D21E4_mC164_15_2f_f_5f_e10f_2f:Al-Ca-H-O-Si,82.0,A4B2C10D21E4_mC164_15_2f_f_5f_e10f_2f:Al-Ca-H-O-Si +mp-24469,CaAl4Si2(HO6)2,-7.5964144752,-3.1209737188,0.0088958931,0.0088958931,GGA,Cc,A4BC2D12E2_mC84_9_4a_a_2a_12a_2a:Al-Ca-H-O-Si,42.0,A4BC2D12E2_mC84_9_4a_a_2a_12a_2a:Al-Ca-H-O-Si +mp-643941,CaAl2Si(HO2)4,-6.8785646238,-2.6244094088,0.0170757219,0.0170757219,GGA,I4_1/a,A2BC4D8E_tI64_88_e_a_f_2f_b:Al-Ca-H-O-Si,32.0,A2BC4D8E_tI64_88_e_a_f_2f_b:Al-Ca-H-O-Si +mp-23719,BeAlH5,-3.62916488,-0.1365050343,0.0153940448,0.0153940448,GGA,P2_1,ABC5_mP14_4_a_a_5a:Al-Be-H,14.0,ABC5_mP14_4_a_a_5a:Al-Be-H +mp-23720,BeAlH5,-3.6275513714,-0.1348915257,0.0170075533,0.0170075533,GGA,C2/c,ABC5_mC28_15_a_e_e2f:Al-Be-H,14.0,ABC5_mC28_15_c_e_e2f:Al-Be-H +mp-24603,CaAl2Si2(H2O5)2,-7.1184171961,-2.7297235701,0.0200644571,0.0200644571,GGA,Pna2_1,A2BC4D10E2_oP76_33_2a_a_4a_10a_2a:Al-Ca-H-O-Si,76.0,"Invalid WP multiplicities - A2BC4D10E2_oP76_33_3a_a_4a_15a_3a:Al-Ca-H-O-Si, expected CaAl3Si3H4O15 to be CaAl2Si2(H2O5)2" +mp-505288,CaAl2Si2(H2O5)2,-7.1163230605,-2.7276294346,0.0221585926,0.0221585926,GGA,Pnma,A2BC4D10E2_oP76_62_ab_c_4c_6c2d_2c:Al-Ca-H-O-Si,76.0,A2BC4D10E2_oP76_62_ab_c_4c_6c2d_2c:Al-Ca-H-O-Si +mp-699257,CaAl2Si2(H2O5)2,-6.9462898661,-2.5575962401,0.1921917871,0.1921917871,GGA,Cmcm,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si,38.0,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si +mp-733653,CaAl2Si2(H2O5)2,-7.1138952837,-2.7252016578,0.0245863695,0.0245863695,GGA,Cmcm,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si,38.0,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si +mp-1248272,CaAl2Si2(H2O5)2,-6.9675698982,-2.5788762722,0.170911755,0.170911755,GGA,Cmcm,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si,38.0,A2BC4D10E2_oC76_63_d_c_2f_2c2fh_f:Al-Ca-H-O-Si +mp-706640,CaAl2Si4(H2O7)2,-7.156152428,-2.5952496361,0.278916966,0.278916966,GGA,C2/m,A2BC4D14E4_mC100_12_j_i_2j_2i6j_2j:Al-Ca-H-O-Si,50.0,A2BC4D14E4_mC100_12_j_i_2j_2i6j_2j:Al-Ca-H-O-Si +mp-24402,CaAlSiHO5,-7.45393058,-3.0869679865,0.0053423804,0.0053423804,GGA,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:Al-Ca-H-O-Si,36.0,ABCD5E_oP36_19_a_a_a_5a_a:Al-Ca-H-O-Si +mp-1198788,Ba6Li2Si4ClO15,-7.1795795371,-3.1409425792,0.0514504078,0.0514504078,GGA,P6_3/mmc,A6BC2D15E4_hP56_194_acef_b_f_df2k_2f:Ba-Cl-Li-O-Si,56.0,A6BC2D15E4_hP56_194_acef_b_f_df2k_2f:Ba-Cl-Li-O-Si +mp-1201184,Ba3CCl4O3,-6.2092448755,-2.8256264131,0.0134155705,0.0134155705,GGA,Pnma,A3BC4D3_oP44_62_cd_c_2cd_cd:Ba-C-Cl-O,44.0,A3BC4D3_oP44_62_cd_c_2cd_cd:Ba-C-Cl-O +mp-559419,Ba9LiSi10C(ClO4)7,-7.3783591312,-3.1978487089,0.0017212523,0.0017212523,GGA,Pmmn,A9BC7DE28F10_oP112_59_befg_a_b2ef_a_2a2ef5g_e2g:Ba-C-Cl-Li-O-Si,112.0,"Invalid WP multiplicities - A9BC7DE28F10_oP112_59_2b4e3f5g_a_2b5e2f_a_4a8e4f37g_4e8g:Ba-C-Cl-Li-O-Si, expected Ba36LiSi40C(ClO11)16 to be Ba9LiSi10C(ClO4)7" +mp-2715687,Na7Al2In2SiP5O24,-6.9292975527,-2.6984547281,0.0396807448,0.0396807448,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-In-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-In-Na-O-P-Si +mp-2715416,Na3AlIn(PO4)3,-6.998238167,-2.6949877922,0.028459677,0.028459677,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-In-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-In-Na-O-P +mp-2715466,Na3AlIn(PO4)3,-6.9977806766,-2.6945303019,0.0289171674,0.0289171674,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-In-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-In-Na-O-P +mp-2714470,Na4AlInSi(PO6)2,-6.8572113288,-2.6953280759,0.056795972,0.056795972,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-In-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-In-Na-O-P-Si +mp-15897,La4Si2S3O7,-8.1762359372,-3.324308746,0.0,-0.0168191807,GGA,I4_1/amd,A4B7C3D2_tI128_141_gh_ehi_abf_h:La-O-S-Si,64.0,A4B7C3D2_tI128_141_gh_ehi_abf_h:La-O-S-Si +mp-2713667,Na2La2Si(SO6)2,-7.2806778317,-2.7767016687,0.0804018658,0.0804018658,GGA,Cc,A2B2C12D2E_mC228_9_6a_6a_36a_6a_3a:La-Na-O-S-Si,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC228_9_6a_6a_72a_10a_3a:La-Na-O-S-Si, expected Na6La6Si3(S5O36)2 to be Na2La2Si(SO6)2" +mp-2715068,Na10La8Si5S7O48,-7.2239080336,-2.7849835832,0.1104520874,0.1104520874,GGA,P1,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:La-Na-O-S-Si,234.0,A8B10C48D7E5_aP234_1_24a_30a_144a_21a_15a:La-Na-O-S-Si +mp-2714332,Na2La4SiS5O24,-7.360379892,-2.715458352,0.055767807,0.055767807,GGA,P1,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:La-Na-O-S-Si,108.0,A4B2C24D5E_aP108_1_12a_6a_72a_15a_3a:La-Na-O-S-Si +mp-2714126,Na2La8SiS11O48,-7.4071833132,-2.6857485684,0.0301431088,0.0301431088,GGA,P1,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:La-Na-O-S-Si,210.0,A8B2C48D11E_aP210_1_24a_6a_144a_33a_3a:La-Na-O-S-Si +mp-2715740,Na14La8Si7S5O48,-7.1571636598,-2.8388228716,0.1013452574,0.1013452574,GGA,P1,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:La-Na-O-S-Si,246.0,A8B14C48D5E7_aP246_1_24a_42a_144a_15a_21a:La-Na-O-S-Si +mp-2716262,Na6La4Si3(SO8)3,-7.1808205758,-2.8036952522,0.1237622659,0.1237622659,GGA,P1,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:La-Na-O-S-Si,120.0,A4B6C24D3E3_aP120_1_12a_18a_72a_9a_9a:La-Na-O-S-Si +mp-2714486,Na4La2Si2SO12,-7.1186625149,-2.8563069985,0.0959664744,0.0959664744,GGA,Cc,A2B4C12DE2_mC84_9_2a_4a_12a_a_2a:La-Na-O-S-Si,126.0,"Invalid WP multiplicities - A2B4C12DE2_mC84_9_6a_19a_72a_a_12a:La-Na-O-S-Si, expected Na19La6Si12SO72 to be Na4La2Si2SO12" +mp-2713961,Na6La8Si3(S3O16)3,-7.3232822464,-2.7507380622,0.0659613289,0.0659613289,GGA,P1,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:La-Na-O-S-Si,222.0,A8B6C48D9E3_aP222_1_24a_18a_144a_27a_9a:La-Na-O-S-Si +mp-2712739,Na6Ca4La4SiS11O48,-6.9685050246,-2.5891955056,0.0451030023,0.0451030023,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-La-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-La-Na-O-S-Si +mp-2713372,Na4Ca2La2SiS5O24,-6.9301370434,-2.6143104229,0.0656198722,0.0656198722,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-La-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-La-Na-O-S-Si +mp-2715135,Na8Ca2La2Si3(SO8)3,-6.7853782376,-2.6932532596,0.099806685,0.099806685,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-La-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-La-Na-O-S-Si +mp-2714869,NaCaLa3(SO4)6,-7.2212274097,-2.601930988,0.0187692128,0.0187692128,GGA,P3,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-La-Na-O-S,105.0,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-La-Na-O-S +mp-2714832,Na10Ca4La4Si3(S3O16)3,-6.8866127501,-2.6310134949,0.0910045576,0.0910045576,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-La-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-La-Na-O-S-Si +mp-2715078,Na3Ca3La(SO4)6,-6.7931289724,-2.510436786,0.0325044311,0.0325044311,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-La-Na-O-S,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-La-Na-O-S +mp-2713086,Na14Ca4La4Si5S7O48,-6.8184908725,-2.674532587,0.1085594494,0.1085594494,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-La-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-La-Na-O-S-Si +mp-2712588,Na3CaLaSi(SO6)2,-6.8498372118,-2.6514539536,0.1043948041,0.1043948041,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ca-La-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Ca-La-Na-O-S-Si, expected Na4CaLaSiS3O20 to be Na3CaLaSi(SO6)2" +mp-2714231,NaCaLa(SO4)3,-7.0028007829,-2.5564815376,0.0296500838,0.0296500838,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Ca-La-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Ca-La-Na-O-S, expected NaCaLa(SO12)3 to be NaCaLa(SO4)3" +mp-2716482,Na4LaTa(SiO4)3,-7.6392130469,-2.9858747358,0.1011689603,0.1011689603,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:La-Na-O-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:La-Na-O-Si-Ta, expected Na4LaTa(SiO12)3 to be Na4LaTa(SiO4)3" +mp-2712523,Na2La3TaSi2(SO6)4,-7.624107989,-2.7511131521000003,0.1089109707,0.1089109707,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:La-Na-O-S-Si-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:La-Na-O-S-Si-Ta +mp-2713393,LaTaSi(SO6)2,-7.9867986674,-2.7013711948,0.1016870801,0.1016870801,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:La-O-S-Si-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:La-O-S-Si-Ta, expected LaTaSiS3O20 to be LaTaSi(SO6)2" +mp-2716047,Na6La6Ta2Si5S7O48,-7.5593845347,-2.7649311968,0.136356733,0.136356733,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:La-Na-O-S-Si-Ta,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:La-Na-O-S-Si-Ta +mp-2712808,Na2LaTaSi2SO12,-7.7631759177,-2.8270608765,0.19293991,0.19293991,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:La-Na-O-S-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:La-Na-O-S-Si-Ta, expected Na2LaTaSi12SO72 to be Na2LaTaSi2SO12" +mp-2714105,Na10La4Ta4Si9(SO16)3,-7.7427981075,-2.8828152628,0.1645628077,0.1645628077,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:La-Na-O-S-Si-Ta,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:La-Na-O-S-Si-Ta +mp-2713502,Na2La2Ta2Si3(SO8)3,-7.8549791586,-2.7539110248,0.1863653287,0.1863653287,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:La-Na-O-S-Si-Ta,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:La-Na-O-S-Si-Ta +mp-2714413,Na6La3TaSi4(SO12)2,-7.4649824973,-2.8825912066,0.1177133397,0.1177133397,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:La-Na-O-S-Si-Ta,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:La-Na-O-S-Si-Ta +mp-2713642,Na4La3TaSi3(SO8)3,-7.5373772812,-2.8173316791,0.1230482784,0.1230482784,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:La-Na-O-S-Si-Ta,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:La-Na-O-S-Si-Ta +mp-2713055,Na14La3Ta5(SiO4)12,-7.8540326831,-3.0350431944,0.0747380601,0.0747380601,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:La-Na-O-Si-Ta,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:La-Na-O-Si-Ta +mp-2712845,Na6La4Ta4Si7S5O48,-7.8935873336,-2.8772248419,0.1039910853,0.1039910853,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:La-Na-O-S-Si-Ta,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:La-Na-O-S-Si-Ta +mp-2713036,La3TaSiS5O24,-7.712507912299999,-2.6685698129,0.0616104376,0.0616104376,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:La-O-S-Si-Ta,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:La-O-S-Si-Ta +mp-14880,La2Ta3(SO4)2,-9.475412794,-3.2559623591,0.0,-0.007037807,GGA,Pnnm,A2B8C2D3_oP60_58_2g_2g3h_2g_eh:La-O-S-Ta,60.0,"Invalid WP multiplicities - A2B8C2D3_oP60_58_4g_2g6h_2g_e2h:La-O-S-Ta, expected La4Ta5(SO7)2 to be La2Ta3(SO4)2" +mp-2713006,Na6La2Ta6Si9(SO16)3,-8.2008208661,-2.9625492207,0.0967499581,0.0967499581,GGA,P1,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:La-Na-O-S-Si-Ta,222.0,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:La-Na-O-S-Si-Ta +mp-2715667,Na2La2Ta6Si7S5O48,-8.3006979123,-2.8754941372,0.0805414452,0.0805414452,GGA,P1,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:La-Na-O-S-Si-Ta,210.0,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:La-Na-O-S-Si-Ta +mp-2713760,Na6La2Ta2Si5SO24,-7.7487079673,-2.9610507094000003,0.1024979617,0.1024979617,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:La-Na-O-S-Si-Ta,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:La-Na-O-S-Si-Ta +mp-2716356,Na10La7TaSi6(SO8)6,-7.3726418028,-2.8284527538,0.1102248775,0.1102248775,GGA,P1,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:La-Na-O-S-Si-Ta,234.0,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:La-Na-O-S-Si-Ta +mp-2716512,Na10La2Ta6Si11SO48,-8.1148185441,-3.0443065022,0.0679373374,0.0679373374,GGA,P1,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:La-Na-O-S-Si-Ta,234.0,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:La-Na-O-S-Si-Ta +mp-2715303,Na6LaTa3(SiO4)6,-8.0707852991,-3.0778620739,0.048930722,0.048930722,GGA,P1,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:La-Na-O-Si-Ta,120.0,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:La-Na-O-Si-Ta +mp-2715322,Na6LaTa3(SiO4)6,-8.0778840507,-3.0849608256,0.0418319703,0.0418319703,GGA,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:La-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB6C24D6E3_aP40_1_a_12a_48a_12a_6a:La-Na-O-Si-Ta, expected Na12LaTa6(SiO4)12 to be Na6LaTa3(SiO4)6" +mp-2714405,Na14La4Ta4Si11SO48,-7.7318378097,-3.0129780611,0.064278524,0.064278524,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:La-Na-O-S-Si-Ta,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:La-Na-O-S-Si-Ta +mp-2716276,Na2La4Ta4Si5S7O48,-7.9430871358,-2.7524730374,0.1327667498,0.1327667498,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:La-Na-O-S-Si-Ta,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:La-Na-O-S-Si-Ta +mp-2714980,Na14La6Ta2Si9(SO16)3,-7.423223492,-2.9046232236,0.1075840227,0.1075840227,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:La-Na-O-S-Si-Ta,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:La-Na-O-S-Si-Ta +mp-2716104,Na10La6Ta2Si7S5O48,-7.5023757119,-2.8529220643,0.1245452016,0.1245452016,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:La-Na-O-S-Si-Ta,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:La-Na-O-S-Si-Ta +mp-2713335,Na10LaTa7(SiO4)12,-8.2947839675,-3.1190073271,0.025669397,0.025669397,GGA,P1,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:La-Na-O-Si-Ta,234.0,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:La-Na-O-Si-Ta +mp-2716514,Na2La6Ta2Si3(S3O16)3,-7.6777244188,-2.7216999972,0.0830685212,0.0830685212,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:La-Na-O-S-Si-Ta,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:La-Na-O-S-Si-Ta +mp-2713882,LaTa3Si3(SO8)3,-8.3295435306,-2.8026266848,0.0733096146,0.0733096146,GGA,P1,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:La-O-S-Si-Ta,102.0,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:La-O-S-Si-Ta +mp-2713818,Na2La3Ta5Si6(SO8)6,-8.117835031,-2.8099260943,0.1107115905,0.1107115905,GGA,P1,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:La-Na-O-S-Si-Ta,210.0,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:La-Na-O-S-Si-Ta +mp-2715806,Na2LaTa3Si4(SO12)2,-8.2498701341,-2.9207287034,0.0961329312,0.0961329312,GGA,P1,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:La-Na-O-S-Si-Ta,108.0,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:La-Na-O-S-Si-Ta +mp-2715005,Na4LaTa3Si5SO24,-8.1619744619,-3.0097899815,0.0819613676,0.0819613676,GGA,P1,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:La-Na-O-S-Si-Ta,114.0,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:La-Na-O-S-Si-Ta +mp-674363,Zr3Sc4O12,-9.6793416158,-3.8723288345,0.023731888,0.023731888,GGA,P1,A12B4C3_aP38_1_24a_8a_6a:O-Sc-Zr,38.0,A12B4C3_aP38_1_24a_8a_6a:O-Sc-Zr +mp-532444,Zr3Sc4O12,-9.6842490785,-3.8772362972,0.0188244253,0.0188244253,GGA,P1,A12B4C3_aP95_1_60a_20a_15a:O-Sc-Zr,95.0,A12B4C3_aP95_1_60a_20a_15a:O-Sc-Zr +mp-675469,Zr3Sc4O12,-9.6801461253,-3.8731333439,0.0229273786,0.0229273786,GGA,P-1,A12B4C3_aP38_2_12i_4i_3i:O-Sc-Zr,38.0,"Invalid WP multiplicities - A12B4C3_aP38_2_24i_8i_5i:O-Sc-Zr, expected Zr5Sc8O24 to be Zr3Sc4O12" +mp-2712623,NaZrScSi(SO6)2,-7.7356776906,-2.7767233946000003,0.0584328268,0.0584328268,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Sc-Si-Zr,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Sc-Si-Zr, expected NaZrScSiS3O20 to be NaZrScSi(SO6)2" +mp-674976,Zr9ScO20,-9.7691997043,-3.6960147377,0.0677959528,0.0677959528,GGA,P1,A20BC9_aP30_1_20a_a_9a:O-Sc-Zr,30.0,A20BC9_aP30_1_20a_a_9a:O-Sc-Zr +mp-1100806,Zr8Sc2O19,-9.7507449583,-3.7151025871,0.1260926855,0.1260926855,GGA,Pmm2,A19B2C8_oP29_25_10a9d_bc_4b4c:O-Sc-Zr,29.0,A19B2C8_oP29_25_10a9d_bc_4b4c:O-Sc-Zr +mp-686417,Zr25Sc6O59,-9.8319796753,-3.792624516,0.0476797792,0.0476797792,GGA,P1,A59B6C25_aP180_1_118a_12a_50a:O-Sc-Zr,180.0,A59B6C25_aP180_1_118a_12a_50a:O-Sc-Zr +mp-2713631,Na4Zr2Sc2Si3(SO8)3,-7.6559099775,-2.8544290985,0.0786106167,0.0786106167,GGA,P1,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Zr,114.0,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Zr +mp-2716247,Na8Zr2Sc2Si5SO24,-7.5218842821,-2.990357832,0.0396866383,0.0396866383,GGA,P1,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Zr,126.0,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Zr +mp-2714535,Na3ZrScSi2SO12,-7.5871987609,-2.9274439571,0.0790100306,0.0790100306,GGA,Cc,A3B12CDE2F_mC80_9_3a_12a_a_a_2a_a:Na-O-S-Sc-Si-Zr,120.0,"Invalid WP multiplicities - A3B12CDE2F_mC80_9_13a_72a_a_a_7a_a:Na-O-S-Sc-Si-Zr, expected Na13ZrScSi7SO72 to be Na3ZrScSi2SO12" +mp-2715894,Na6Zr4Sc4Si5S7O48,-7.6929504741,-2.8148609057,0.0705598125,0.0705598125,GGA,P1,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Zr,222.0,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Zr +mp-2714677,Na14Zr4Sc4Si9(SO16)3,-7.5522694932,-2.9581926266,0.0604850047,0.0604850047,GGA,P1,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Zr,246.0,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Zr +mp-2715961,Na10Zr4Sc4Si7S5O48,-7.6135869364,-2.8847860959,0.0934306163,0.0934306163,GGA,P1,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Zr,234.0,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Zr +mp-675672,Zr5Sc2O13,-9.7938911205,-3.8083713902,0.0448520772,0.0448520772,GGA,R3,A13B2C5_hR120_146_2a8b_ab_a3b:O-Sc-Zr,40.0,"Invalid WP multiplicities - A13B2C5_hR120_146_2a24b_a2b_a7b:O-Sc-Zr, expected Zr22Sc7O74 to be Zr5Sc2O13" +mp-2716392,Na2Zr4Sc4Si3(S3O16)3,-7.76870043,-2.7242605649,0.0379643135,0.0379643135,GGA,P1,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Zr,210.0,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Zr +mp-2712940,Zr2Sc2SiS5O24,-7.8094196777,-2.6744656806,0.0105377758,0.0105377758,GGA,P1,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Zr,102.0,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Zr +mp-2713432,Na5ZrSc3Si3(SO8)3,-7.4860202656,-2.8305441843,0.0843873204,0.0843873204,GGA,P1,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Zr,117.0,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Zr +mp-1220772,NaZrScO4,-8.5936798589,-3.452329877,0.0141210096,0.0141210096,GGA,Pmc2_1,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Zr,28.0,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Zr +mp-2714666,Na3Zr3ScSi3(SO8)3,-7.8352381295,-2.8798603015,0.0722664463,0.0722664463,GGA,P1,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Zr,111.0,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Zr +mp-1219604,RbPrTiNbO6F,-8.2926271973,-3.2608228228,0.1430561461,0.1430561461,GGA,Pmm2,ABC6DEF_oP11_25_a_b_a3b2d_c_c_b:F-Nb-O-Pr-Rb-Ti,11.0,ABC6DEF_oP11_25_a_b_a3b2d_c_c_b:F-Nb-O-Pr-Rb-Ti +mp-1219566,RbTiNbO5,-8.5698407722,-3.1059939365,0.0,-0.014838893,GGA,Pnma,AB5CD_oP32_62_c_5c_c_c:Nb-O-Rb-Ti,32.0,AB5CD_oP32_62_c_5c_c_c:Nb-O-Rb-Ti +mp-1190185,RbPrNb2O7,-8.655671184100001,-3.1474101944,0.0559400541,0.0559400541,GGA,Imma,A2B7CD_oI44_74_h_e2gh_e_a:Nb-O-Pr-Rb,22.0,A2B7CD_oI44_74_h_e2gh_e_a:Nb-O-Pr-Rb +mp-1106402,Rb2TiOF5,-5.6304026139,-2.9236644238,0.3251237964,0.3251237964,GGA,Cmcm,A5BC2D_oC36_63_cef_c_g_a:F-O-Rb-Ti,18.0,A5BC2D_oC36_63_cef_c_g_a:F-O-Rb-Ti +mp-1219552,RbTi3NbO9,-8.9341493329,-3.2706840783,0.0052351355,0.0052351355,GGA,Pmn2_1,AB9CD3_oP28_31_a_9a_a_3a:Nb-O-Rb-Ti,28.0,"Invalid WP multiplicities - AB9CD3_oP28_31_a_13a_a_4a:Nb-O-Rb-Ti, expected RbTi4NbO13 to be RbTi3NbO9" +mp-2714443,Na4MgSiSn(PO6)2,-6.7680761692,-2.6484504236,0.0417295477,0.0417295477,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Mg-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Mg-Na-O-P-Si-Sn, expected Na6MgSiSnP3O20 to be Na4MgSiSn(PO6)2" +mp-2714269,Na5Si3Sn4(PO8)3,-7.0272916122,-2.5686427772,0.0471857176,0.0471857176,GGA,P1,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Sn,117.0,A5B24C3D3E4_aP117_1_15a_72a_9a_9a_12a:Na-O-P-Si-Sn +mp-1021408,NaMg6Sn,-1.8761100369,-0.0093878558,0.0911579534,0.0911579534,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Na-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Na-Sn, expected NaMg12Sn to be NaMg6Sn" +mp-1021414,NaMg6Sn,-1.87735665,-0.0106344689,0.0899113403,0.0899113403,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Na-Sn,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Na-Sn, expected NaMg12Sn to be NaMg6Sn" +mp-2715242,Na3MgSn(PO4)3,-6.9087872921,-2.6499073001,0.0141766874,0.0141766874,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Mg-Na-O-P-Sn,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Mg-Na-O-P-Sn, expected Na14Mg3Sn3(PO4)18 to be Na3MgSn(PO4)3" +mp-2715479,Na3MgSn(PO4)3,-6.9093382085,-2.6504582165,0.013625771,0.013625771,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Mg-Na-O-P-Sn,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Mg-Na-O-P-Sn, expected Na3MgSn(PO5)6 to be Na3MgSn(PO4)3" +mp-2715419,Na6MgSi2Sn3(PO6)4,-6.9227989296,-2.6030858663,0.0495257359,0.0495257359,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Mg-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Mg-Na-O-P-Si-Sn, expected Na12MgSi4Sn6(PO6)8 to be Na6MgSi2Sn3(PO6)4" +mp-2715344,Na6MgSi2Sn3(PO6)4,-6.9289913991,-2.6092783358,0.0433332664,0.0433332664,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Sn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Sn +mp-2712846,Na3SiSn4P5O24,-7.1661417753,-2.5386222366,0.0224803725,0.0224803725,GGA,P1,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Sn,111.0,A3B24C5DE4_aP111_1_9a_72a_15a_3a_12a:Na-O-P-Si-Sn +mp-2713681,Na4MgSn3(PO4)6,-7.0633784911,-2.586551099,0.0147107254,0.0147107254,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Sn,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Sn +mp-2714709,Na7MgSi3Sn3(PO8)3,-6.8588397176,-2.6119357334,0.046249469,0.046249469,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Sn,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Sn +mp-2715793,Na7Mg2SiSn2P5O24,-6.8358996448,-2.6483449985,0.0392554132,0.0392554132,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Sn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Sn +mp-2715027,Na8Mg3Sn(PO4)6,-6.7676311196,-2.7059416324,0.014981455,0.014981455,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Sn,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Sn +mp-2714058,Na14Mg5Sn3(PO4)12,-6.8375314328,-2.6796514554,0.0135452418,0.0135452418,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Sn,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Sn +mp-2715474,Na3Si2Sn2PO12,-6.965566927,-2.5850207924,0.0395699027,0.0395699027,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Sn,120.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_13a_72a_a_12a_6a:Na-O-P-Si-Sn, expected Na13Si12Sn6PO72 to be Na3Si2Sn2PO12" +mp-2715487,Na3Si2Sn2PO12,-6.9673644335,-2.5868182989,0.0377723962,0.0377723962,GGA,Cc,A3B12CD2E2_mC80_9_3a_12a_a_2a_2a:Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - A3B12CD2E2_mC80_9_3a_30a_a_5a_5a:Na-O-P-Si-Sn, expected Na3Si5Sn5PO30 to be Na3Si2Sn2PO12" +mp-2714591,Na7Si5Sn4PO24,-6.9022894926,-2.5960361706,0.0288168508,0.0288168508,GGA,P1,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Sn,123.0,A7B24CD5E4_aP123_1_21a_72a_3a_15a_12a:Na-O-P-Si-Sn +mp-2715774,Na8MgSi4Sn3(PO12)2,-6.8008060969,-2.6232440930000003,0.0338090433,0.0338090433,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Sn,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Sn +mp-1028273,NaMg14Sn,-1.7490597213,-0.0155586057,0.0483418739,0.0483418739,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Na-Sn,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Na-Sn, expected NaMg18Sn to be NaMg14Sn" +mp-1028260,NaMg14Sn,-1.7310387500000002,0.0024623655,0.0663628451,0.0663628451,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Na-Sn,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Na-Sn, expected NaMg26Sn to be NaMg14Sn" +mp-865625,Na2MgSn,-2.2641657062,-0.2004400833,0.0,-0.0361874796,GGA,P6_3/mmc,AB2C_hP8_194_b_f_c:Mg-Na-Sn,8.0,AB2C_hP8_194_b_f_c:Mg-Na-Sn +mp-2712646,Na2SiSn2(PO6)2,-7.094393777,-2.5535315731,0.0356540563,0.0356540563,GGA,Cc,A2B12C2DE2_mC228_9_6a_36a_6a_3a_6a:Na-O-P-Si-Sn,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC228_9_6a_72a_10a_3a_6a:Na-O-P-Si-Sn, expected Na6Si3Sn6(P5O36)2 to be Na2SiSn2(PO6)2" +mp-2715946,Na5MgSiSn3P5O24,-6.9910135395,-2.5947575981,0.0328374457,0.0328374457,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Sn,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Sn +mp-2714638,Na6MgSn7(PO4)12,-7.1488799835,-2.554243186,0.0130607124,0.0130607124,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Sn,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Sn +mp-2713363,Na10Mg3Sn5(PO4)12,-6.9819177892,-2.6168582946,0.0166200237,0.0166200237,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Sn,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Sn +mp-39823,Na8Al6Si6CO27,-7.364442126,-3.0228832468,0.0,-0.006353987,GGA,R3,A6BC8D27E6_hR144_146_2b_a_2a2b_9b_2b:Al-C-Na-O-Si,48.0,"Invalid WP multiplicities - A6BC8D27E6_hR144_146_3b_a_2a4b_24b_6b:Al-C-Na-O-Si, expected Na14Al9Si18CO72 to be Na8Al6Si6CO27" +mp-705635,Na3CaAl3Si3CO15,-7.2314164063,-2.7346912717,0.3272510932,0.3272510932,GGA,P6_3,A3BCD3E15F3_hP52_173_c_b_b_c_5c_c:Al-C-Ca-Na-O-Si,52.0,"Invalid WP multiplicities - A3BCD3E15F3_hP52_173_c_b_b_c_27c_c:Al-C-Ca-Na-O-Si, expected Na3CaAl3Si3CO81 to be Na3CaAl3Si3CO15" +mp-1253229,Na3CaAl3Si3CO15,-7.2570212467,-2.7602961121,0.3016462528,0.3016462528,GGA,P6_3,A3BCD3E15F3_hP52_173_c_b_b_c_5c_c:Al-C-Ca-Na-O-Si,52.0,"Invalid WP multiplicities - A3BCD3E15F3_hP52_173_c_b_b_c_27c_c:Al-C-Ca-Na-O-Si, expected Na3CaAl3Si3CO81 to be Na3CaAl3Si3CO15" +mp-6753,Ca5Si2C2O13,-7.8182991086,-3.1072573045,0.0051612537,0.0051612537,GGA,P2_1/c,A2B5C13D2_mP88_14_2e_5e_13e_2e:C-Ca-O-Si,88.0,"Invalid WP multiplicities - A2B5C13D2_mP88_14_3e_8e_19e_2e:C-Ca-O-Si, expected Ca8Si2C3O19 to be Ca5Si2C2O13" +mp-6796,Ca5Si2CO11,-7.7078831274,-3.2594159286,0.0104195682,0.0104195682,GGA,P2_1/c,AB5C11D2_mP76_14_e_5e_11e_2e:C-Ca-O-Si,76.0,"Invalid WP multiplicities - AB5C11D2_mP76_14_e_8e_16e_2e:C-Ca-O-Si, expected Ca8Si2CO16 to be Ca5Si2CO11" +mp-1227284,Ca7Si6CO23,-7.622586551599999,-3.0389753843,0.1206942311,0.1206942311,GGA,Cm,AB7C23D6_mC74_8_a_a3b_5a9b_3b:C-Ca-O-Si,37.0,"Invalid WP multiplicities - AB7C23D6_mC74_8_a_a4b_5a13b_4b:C-Ca-O-Si, expected Ca9Si8CO31 to be Ca7Si6CO23" +mp-1227086,CaSi3C4,-6.5621151425,0.33741185,0.5650413503,0.5650413503,GGA,R3m,A4BC3_hR24_160_4a_a_3a:C-Ca-Si,8.0,A4BC3_hR24_160_4a_a_3a:C-Ca-Si +mp-1228558,AlSi5(CO6)2,-7.806316712,-2.371828637,0.5756059603,0.5756059603,GGA,C2,AB2C12D5_mC40_5_a_c_2b5c_a2c:Al-C-O-Si,20.0,"Invalid WP multiplicities - AB2C12D5_mC40_5_a_c_2b9c_a4c:Al-C-O-Si, expected AlSi9(CO10)2 to be AlSi5(CO6)2" +mp-2228475,Sr2YMgCu3O7,-6.2618751079,-2.0925766037,0.3100354575,0.3100354575,GGA,Pmm2,A3BC7D2E_oP14_25_3b_a_2a2b3d_2c_c:Cu-Mg-O-Sr-Y,14.0,A3BC7D2E_oP14_25_3b_a_2a2b3d_2c_c:Cu-Mg-O-Sr-Y +mp-2228503,Sr2YMgCu3O7,-6.261053735,-2.0917552308,0.3108568303,0.3108568303,GGA,Pmm2,A3BC7D2E_oP14_25_3b_a_3a2b2d_2c_c:Cu-Mg-O-Sr-Y,14.0,A3BC7D2E_oP14_25_3b_a_3a2b2d_2c_c:Cu-Mg-O-Sr-Y +mp-2241019,Sr2YMgCu3O7,-6.3870493907,-2.2177508865,0.1848611746,0.1848611746,GGA,Pmm2,A3BC7D2E_oP14_25_3d_a_2b3c2d_2a_a:Cu-Mg-O-Sr-Y,14.0,A3BC7D2E_oP14_25_3d_a_2b3c2d_2a_a:Cu-Mg-O-Sr-Y +mp-1095942,Sr2MgTl,-0.624730625,1.2107469008,1.4636247225,1.4606364229,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Sr-Tl,4.0,AB2C_oI8_71_a_e_b:Mg-Sr-Tl +mp-1187092,Sr2MgTl,-2.0883553475,-0.2528778217,0.0,-0.0029882996,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Mg-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Mg-Sr-Tl +mp-1218486,Sr2YTlCu2O7,-6.4829099015,-2.2495764027,0.0102206315,0.0102206315,GGA,Pmm2,A2B7C2DE_oP13_25_f_ae2f_e_b_c:Cu-O-Sr-Tl-Y,13.0,"Invalid WP multiplicities - A2B7C2DE_oP13_25_f_a2e3f_e_b_c:Cu-O-Sr-Tl-Y, expected Sr2YTlCu2O11 to be Sr2YTlCu2O7" +mp-9117,Sr2YTlCu2O7,-6.4789475669,-2.245614068,0.0141829661,0.0141829661,GGA,P4/mmm,A2B7C2DE_tP13_123_h_ahi_g_c_b:Cu-O-Sr-Tl-Y,13.0,A2B7C2DE_tP13_123_h_ahi_g_c_b:Cu-O-Sr-Tl-Y +mp-1357400,Sr6YTl3(Cu2O7)3,-5.9416154686,-1.8289921111,0.0865092976,0.0865092976,GGA,Pmmm,A6B21C6D3E_oP37_47_lx_ajklqw2x_iw_gr_b:Cu-O-Sr-Tl-Y,37.0,"Invalid WP multiplicities - A6B21C6D3E_oP37_47_2l2x_a2j2k2l2q2w6x_2i3w_gr_b:Cu-O-Sr-Tl-Y, expected Sr16YTl3Cu12O49 to be Sr6YTl3(Cu2O7)3" +mp-1097248,Y2MgTl,-2.1068559375,2.1171104183,2.3964535479,2.3964535479,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Tl-Y,4.0,ABC2_oI8_71_a_b_e:Mg-Tl-Y +mp-1187721,Y2MgTl,-4.4919573375,-0.2679909817,0.0113521479,0.0113521479,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Tl-Y,4.0,ABC2_cF16_225_a_b_c:Mg-Tl-Y +mp-867172,SrMgTl2,-2.287890195,-0.2841252458,0.0,-0.0233254105,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Sr-Tl,4.0,ABC2_cF16_225_a_b_c:Mg-Sr-Tl +mp-2217244,MgTl2(CuO2)2,-4.9664535733,-1.1541497369,0.2172960894,0.2172960894,GGA,Pm,A2BC4D2_mP9_6_ab_a_2c_ab:Cu-Mg-O-Tl,9.0,"Invalid WP multiplicities - A2BC4D2_mP9_6_ab_a_3c_ab:Cu-Mg-O-Tl, expected MgTl2(CuO3)2 to be MgTl2(CuO2)2" +mp-2222887,Sr2MgTlCuO5,-5.601664726,-1.984208693,0.2946221812,0.2946221812,GGA,P4/mmm,ABC5D2E_tP10_123_b_d_ceg_h_a:Cu-Mg-O-Sr-Tl,10.0,"Invalid WP multiplicities - ABC5D2E_tP10_123_b_d_c2eg_h_a:Cu-Mg-O-Sr-Tl, expected Sr2MgTlCuO7 to be Sr2MgTlCuO5" +mp-2223136,Sr2MgTlCuO5,-5.60415494,-1.986698907,0.2921319672,0.2921319672,GGA,Pmm2,ABC5D2E_oP10_25_a_b_2abcd_2d_a:Cu-Mg-O-Sr-Tl,10.0,ABC5D2E_oP10_25_a_b_2abcd_2d_a:Cu-Mg-O-Sr-Tl +mp-2228604,Sr2YMgTlCu2O7,-6.221149925,-2.1758916725,0.2455210626,0.2455210626,GGA,Pmm2,A2BC7D2EF_oP14_25_2b_a_2a2bc2d_2c_b_c:Cu-Mg-O-Sr-Tl-Y,14.0,A2BC7D2EF_oP14_25_2b_a_2a2bc2d_2c_b_c:Cu-Mg-O-Sr-Tl-Y +mp-2228476,Sr2YMgTlCu2O7,-6.0775688064,-2.0323105539,0.3891021812,0.3891021812,GGA,Amm2,A2BC7D2EF_oC28_38_c_a_bcf_c_b_a:Cu-Mg-O-Sr-Tl-Y,14.0,A2BC7D2EF_oC28_38_c_a_bcf_c_b_a:Cu-Mg-O-Sr-Tl-Y +mp-2228464,Sr2YMgTlCu2O7,-6.1168972836,-2.071639031,0.3497737041,0.3497737041,GGA,P4mm,A2BC7D2EF_tP14_99_2b_a_a2b2c_2a_b_a:Cu-Mg-O-Sr-Tl-Y,14.0,A2BC7D2EF_tP14_99_2b_a_a2b2c_2a_b_a:Cu-Mg-O-Sr-Tl-Y +mp-11984,YMgTl,-3.8269712556,-0.3505064856,0.0,-0.0959978812,GGA,P-62m,ABC_hP9_189_f_bc_g:Mg-Tl-Y,9.0,"Invalid WP multiplicities - ABC_hP9_189_f_b2c_g:Mg-Tl-Y, expected Y3Mg3Tl5 to be YMgTl" +mp-962061,YMgTl,-3.2551020933,0.2213626767,0.5718691622000001,0.475871281,GGA,F-43m,ABC_cF12_216_a_b_c:Mg-Tl-Y,3.0,ABC_cF12_216_a_b_c:Mg-Tl-Y +mp-1046961,BaMg(AgO2)4,-4.7639000086,-0.8765436733,0.2919624432,0.2919624432,GGA,P-31m,A4BCD8_hP14_162_h_a_b_ck:Ag-Ba-Mg-O,14.0,A4BCD8_hP14_162_h_a_b_ck:Ag-Ba-Mg-O +mp-2227990,BaMgAgO2,-4.716893924,-1.4678562408,0.8834714207000001,0.8834714207000001,GGA,Pmm2,ABCD2_oP5_25_a_d_b_ac:Ag-Ba-Mg-O,5.0,ABCD2_oP5_25_a_d_b_ac:Ag-Ba-Mg-O +mp-2224451,BaMgAgO2,-4.293023336,-1.0439856528,1.3073420087,1.3073420087,GGA,P4/mmm,ABCD2_tP5_123_c_b_a_f:Ag-Ba-Mg-O,5.0,ABCD2_tP5_123_c_b_a_f:Ag-Ba-Mg-O +mp-2222935,BaYMgCuAgO5,-6.136027414,-1.9709341807,0.5015771135,0.5015771135,GGA,Pmm2,ABCDE5F_oP10_25_a_d_a_b_a2b2c_d:Ag-Ba-Cu-Mg-O-Y,10.0,ABCDE5F_oP10_25_a_d_a_b_a2b2c_d:Ag-Ba-Cu-Mg-O-Y +mp-2222863,BaYMgCuAgO5,-6.193366546,-2.0282733127,0.4442379815,0.4442379815,GGA,P4mm,ABCDE5F_tP10_99_a_b_a_b_a2c_b:Ag-Ba-Cu-Mg-O-Y,10.0,ABCDE5F_tP10_99_a_b_a_b_a2c_b:Ag-Ba-Cu-Mg-O-Y +mp-1041560,Ba2YAg3O8,-5.93039368,-1.7607080590000002,0.0561065282,0.0561065282,GGA,P4/mmm,A3B2C8D_tP14_123_bg_h_egi_c:Ag-Ba-O-Y,14.0,"Invalid WP multiplicities - A3B2C8D_tP14_123_b2g_h_2e2g2i_c:Ag-Ba-O-Y, expected Ba2YAg5O16 to be Ba2YAg3O8" +mp-1042153,BaYCuAgO5,-6.5055227256,-2.0554502497,0.1103191592,0.1103191592,GGA,P4mm,ABCD5E_tP9_99_a_b_a_a2c_b:Ag-Ba-Cu-O-Y,9.0,ABCD5E_tP9_99_a_b_a_a2c_b:Ag-Ba-Cu-O-Y +mp-2712577,Na18Mg20Nb4Si3(S11O48)3,-6.6874136641,-2.3571512742,0.036005696,0.036005696,GGA,P1,A20B18C4D144E33F3_aP222_1_20a_18a_4a_144a_33a_3a:Mg-Na-Nb-O-S-Si,222.0,A20B18C4D144E33F3_aP222_1_20a_18a_4a_144a_33a_3a:Mg-Na-Nb-O-S-Si +mp-2716414,Na12Mg2Nb4(SiO4)9,-7.4156247906,-2.8698352723,0.0515229067,0.0515229067,GGA,P3c1,A2B12C4D36E9_hP126_158_ab_abc3d_ab2c_12d_3d:Mg-Na-Nb-O-Si,126.0,A2B12C4D36E9_hP126_158_ab_abc3d_ab2c_12d_3d:Mg-Na-Nb-O-Si +mp-2713744,Mg4Nb2(SO4)9,-7.0063752967,-2.2629915185,0.0,-0.0268624715,GGA,P3c1,A4B2C36D9_hP102_158_ab2c_ab_12d_3d:Mg-Nb-O-S,102.0,A4B2C36D9_hP102_158_ab2c_ab_12d_3d:Mg-Nb-O-S +mp-2713023,Na18Mg8Nb16Si21(S5O48)3,-7.5589335482,-2.6646534699,0.1158294916,0.1158294916,GGA,P1,A8B18C16D144E15F21_aP222_1_8a_18a_16a_144a_15a_21a:Mg-Na-Nb-O-S-Si,222.0,A8B18C16D144E15F21_aP222_1_8a_18a_16a_144a_15a_21a:Mg-Na-Nb-O-S-Si +mp-2714705,Na9Mg5Nb7Si9(SO8)9,-7.3949648868,-2.5946877566,0.1227964123,0.1227964123,GGA,P1,A5B9C7D72E9F9_aP111_1_5a_9a_7a_72a_9a_9a:Mg-Na-Nb-O-S-Si,111.0,A5B9C7D72E9F9_aP111_1_5a_9a_7a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2715972,Na6Mg4Nb4Si5S7O48,-7.2398850572,-2.5336108751,0.1198374751,0.1198374751,GGA,P1,A4B6C4D48E7F5_aP222_1_12a_18a_12a_144a_21a_15a:Mg-Na-Nb-O-S-Si,222.0,A4B6C4D48E7F5_aP222_1_12a_18a_12a_144a_21a_15a:Mg-Na-Nb-O-S-Si +mp-2713888,Mg2Nb10Si9(SO8)9,-8.0046751524,-2.6475074192,0.0242630215,0.0242630215,GGA,P1,A2B10C72D9E9_aP102_1_2a_10a_72a_9a_9a:Mg-Nb-O-S-Si,102.0,A2B10C72D9E9_aP102_1_2a_10a_72a_9a_9a:Mg-Nb-O-S-Si +mp-2714265,Na6Mg16Nb8Si3(S11O48)3,-6.9921328934,-2.3280755268,0.0293252292,0.0293252292,GGA,P1,A16B6C8D144E33F3_aP210_1_16a_6a_8a_144a_33a_3a:Mg-Na-Nb-O-S-Si,210.0,A16B6C8D144E33F3_aP210_1_16a_6a_8a_144a_33a_3a:Mg-Na-Nb-O-S-Si +mp-2713682,Na6Mg4Nb2Si3(SO6)6,-6.9482434904,-2.4971149125,0.0903646432,0.0903646432,GGA,P3c1,A4B6C2D36E6F3_hP114_158_ab2c_abcd_ab_12d_2d_d:Mg-Na-Nb-O-S-Si,114.0,A4B6C2D36E6F3_hP114_158_ab2c_abcd_ab_12d_2d_d:Mg-Na-Nb-O-S-Si +mp-2713377,Na12Mg10Nb2Si3(S5O24)3,-6.6620616387,-2.3939914334,0.0708062632,0.0708062632,GGA,P1,A10B12C2D72E15F3_aP114_1_10a_12a_2a_72a_15a_3a:Mg-Na-Nb-O-S-Si,114.0,A10B12C2D72E15F3_aP114_1_10a_12a_2a_72a_15a_3a:Mg-Na-Nb-O-S-Si +mp-2715198,Na30Mg16Nb8Si15(S7O48)3,-6.9207254298,-2.5332934982,0.1065640905,0.1065640905,GGA,P1,A16B30C8D144E21F15_aP234_1_16a_30a_8a_144a_21a_15a:Mg-Na-Nb-O-S-Si,234.0,A16B30C8D144E21F15_aP234_1_16a_30a_8a_144a_21a_15a:Mg-Na-Nb-O-S-Si +mp-2716350,Na2Mg4Nb4Si3(S3O16)3,-7.3017595349,-2.438953078,0.0555481875,0.0555481875,GGA,P1,A4B2C4D48E9F3_aP210_1_12a_6a_12a_144a_27a_9a:Mg-Na-Nb-O-S-Si,210.0,A4B2C4D48E9F3_aP210_1_12a_6a_12a_144a_27a_9a:Mg-Na-Nb-O-S-Si +mp-2715102,Na12Mg2Nb10Si15(SO24)3,-7.8690370488,-2.8687333533,0.0675318405,0.0675318405,GGA,P1,A2B12C10D72E3F15_aP114_1_2a_12a_10a_72a_3a_15a:Mg-Na-Nb-O-S-Si,114.0,A2B12C10D72E3F15_aP114_1_2a_12a_10a_72a_3a_15a:Mg-Na-Nb-O-S-Si +mp-2714970,Na24Mg10Nb2Si9(SO8)9,-6.5966313902,-2.5477145973,0.0940004163,0.0940004163,GGA,P1,A10B24C2D72E9F9_aP126_1_10a_24a_2a_72a_9a_9a:Mg-Na-Nb-O-S-Si,126.0,A10B24C2D72E9F9_aP126_1_10a_24a_2a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2714199,Na30Mg8Nb16Si27(SO16)9,-7.5066645699,-2.762503502,0.0961081952,0.0961081952,GGA,P1,A8B30C16D144E9F27_aP234_1_8a_30a_16a_144a_9a_27a:Mg-Na-Nb-O-S-Si,234.0,A8B30C16D144E9F27_aP234_1_8a_30a_16a_144a_9a_27a:Mg-Na-Nb-O-S-Si +mp-2713810,Na18Mg16Nb8Si9(S3O16)9,-6.963822131,-2.445553845,0.0777488152,0.0777488152,GGA,P1,A16B18C8D144E27F9_aP222_1_16a_18a_8a_144a_27a_9a:Mg-Na-Nb-O-S-Si,222.0,A16B18C8D144E27F9_aP222_1_16a_18a_8a_144a_27a_9a:Mg-Na-Nb-O-S-Si +mp-2714404,Na3MgNbSi2SO12,-7.1385722968,-2.6377467252,0.1470941502,0.1470941502,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:Mg-Na-Nb-O-S-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:Mg-Na-Nb-O-S-Si, expected Na13MgNbSi12SO72 to be Na3MgNbSi2SO12" +mp-2712657,Na6Mg2Nb4Si6(SO12)3,-7.5437024487,-2.7264571258,0.1000142152,0.1000142152,GGA,P3c1,A2B6C4D36E3F6_hP114_158_ab_abcd_ab2c_12d_d_2d:Mg-Na-Nb-O-S-Si,114.0,A2B6C4D36E3F6_hP114_158_ab_abcd_ab2c_12d_d_2d:Mg-Na-Nb-O-S-Si +mp-2715089,Na9Mg11Nb(SO4)18,-6.5591448038,-2.3228853619,0.0051987633,0.0051987633,GGA,P1,A11B9CD72E18_aP111_1_11a_9a_a_72a_18a:Mg-Na-Nb-O-S,111.0,A11B9CD72E18_aP111_1_11a_9a_a_72a_18a:Mg-Na-Nb-O-S +mp-2713524,Na15MgNb11(SiO4)18,-7.9918860346,-2.9801781146,0.0326333473,0.0326333473,GGA,P1,AB15C11D72E18_aP117_1_a_15a_11a_72a_18a:Mg-Na-Nb-O-Si,117.0,AB15C11D72E18_aP117_1_a_15a_11a_72a_18a:Mg-Na-Nb-O-Si +mp-2714748,Na30Mg20Nb4Si9(S3O16)9,-6.6504160306,-2.4413486671,0.0789727511,0.0789727511,GGA,P1,A20B30C4D144E27F9_aP234_1_20a_30a_4a_144a_27a_9a:Mg-Na-Nb-O-S-Si,234.0,A20B30C4D144E27F9_aP234_1_20a_30a_4a_144a_27a_9a:Mg-Na-Nb-O-S-Si +mp-2716224,Na6Mg8Nb16Si15(S7O48)3,-7.6281178874,-2.5665623404,0.0650394347,0.0650394347,GGA,P1,A8B6C16D144E21F15_aP210_1_8a_6a_16a_144a_21a_15a:Mg-Na-Nb-O-S-Si,210.0,A8B6C16D144E21F15_aP210_1_8a_6a_16a_144a_21a_15a:Mg-Na-Nb-O-S-Si +mp-2715875,Na10Mg4Nb4Si7S5O48,-7.1677941346,-2.6019976349,0.1496354364,0.1496354364,GGA,P1,A4B10C4D48E5F7_aP234_1_12a_30a_12a_144a_15a_21a:Mg-Na-Nb-O-S-Si,234.0,A4B10C4D48E5F7_aP234_1_12a_30a_12a_144a_15a_21a:Mg-Na-Nb-O-S-Si +mp-2715809,Na6Mg4Nb20Si21(S5O48)3,-7.972546467,-2.7122418298,0.0545668542,0.0545668542,GGA,P1,A4B6C20D144E15F21_aP210_1_4a_6a_20a_144a_15a_21a:Mg-Na-Nb-O-S-Si,210.0,A4B6C20D144E15F21_aP210_1_4a_6a_20a_144a_15a_21a:Mg-Na-Nb-O-S-Si +mp-2712852,Na18Mg4Nb20Si27(SO16)9,-7.906090157399999,-2.823804183,0.0788589441,0.0788589441,GGA,P1,A4B18C20D144E9F27_aP222_1_4a_18a_20a_144a_9a_27a:Mg-Na-Nb-O-S-Si,222.0,A4B18C20D144E9F27_aP222_1_4a_18a_20a_144a_9a_27a:Mg-Na-Nb-O-S-Si +mp-2715792,Na42Mg16Nb8Si21(S5O48)3,-6.8581699309,-2.5888098313,0.1233423491,0.1233423491,GGA,P1,A16B42C8D144E15F21_aP246_1_16a_42a_8a_144a_15a_21a:Mg-Na-Nb-O-S-Si,246.0,A16B42C8D144E15F21_aP246_1_16a_42a_8a_144a_15a_21a:Mg-Na-Nb-O-S-Si +mp-2714363,Na12Mg4Nb2Si6(SO12)3,-6.8520253475,-2.6374843127,0.0974450893,0.0974450893,GGA,Cc,A4B12C2D36E3F6_mC252_9_4a_12a_2a_36a_3a_6a:Mg-Na-Nb-O-S-Si,126.0,"Invalid WP multiplicities - A4B12C2D36E3F6_mC252_9_4a_18a_2a_60a_4a_9a:Mg-Na-Nb-O-S-Si, expected Na18Mg4Nb2Si9(SO15)4 to be Na12Mg4Nb2Si6(SO12)3" +mp-2712873,Na7MgNb3(SiO4)6,-7.5975533519,-2.9040336086,0.0471481839,0.0471481839,GGA,P3,AB7C3D24E6_hP123_143_2ab_2a2b2c5d_2a3b4c_24d_6d:Mg-Na-Nb-O-Si,123.0,AB7C3D24E6_hP123_143_2ab_2a2b2c5d_2a3b4c_24d_6d:Mg-Na-Nb-O-Si +mp-2713484,Na6Mg4Nb8Si9(SO8)9,-7.5969570122,-2.62136247,0.0916103231,0.0916103231,GGA,P1,A4B6C8D72E9F9_aP108_1_4a_6a_8a_72a_9a_9a:Mg-Na-Nb-O-S-Si,108.0,A4B6C8D72E9F9_aP108_1_4a_6a_8a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2713999,Na18Mg4Nb8Si15(SO24)3,-7.4726247841,-2.7978937586,0.0860925551,0.0860925551,GGA,P1,A4B18C8D72E3F15_aP120_1_4a_18a_8a_72a_3a_15a:Mg-Na-Nb-O-S-Si,120.0,A4B18C8D72E3F15_aP120_1_4a_18a_8a_72a_3a_15a:Mg-Na-Nb-O-S-Si +mp-2716517,Na30Mg4Nb20Si33(SO48)3,-7.827680327499999,-2.9051546916,0.0577901331,0.0577901331,GGA,P1,A4B30C20D144E3F33_aP234_1_4a_30a_20a_144a_3a_33a:Mg-Na-Nb-O-S-Si,234.0,A4B30C20D144E3F33_aP234_1_4a_30a_20a_144a_3a_33a:Mg-Na-Nb-O-S-Si +mp-2712587,Na9Mg5NbSi3(SO6)6,-6.6236562514,-2.4706415876,0.1024273661,0.1024273661,GGA,Cc,A5B9CD36E6F3_mC240_9_5a_9a_a_36a_6a_3a:Mg-Na-Nb-O-S-Si,120.0,"Invalid WP multiplicities - A5B9CD36E6F3_mC240_9_5a_12a_a_60a_9a_4a:Mg-Na-Nb-O-S-Si, expected Na12Mg5NbSi4(S3O20)3 to be Na9Mg5NbSi3(SO6)6" +mp-2713053,Mg2Nb2SiS5O24,-7.2997115784,-2.3517331486,0.0475180106,0.0475180106,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Mg-Nb-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Mg-Nb-O-S-Si +mp-2713388,Na15Mg7Nb5Si9(SO8)9,-7.0418502132,-2.5652359975,0.1312854013,0.1312854013,GGA,P1,A7B15C5D72E9F9_aP117_1_7a_15a_5a_72a_9a_9a:Mg-Na-Nb-O-S-Si,117.0,A7B15C5D72E9F9_aP117_1_7a_15a_5a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2714807,Na14Mg4Nb4Si9(SO16)3,-7.1535795238,-2.7145555668,0.0933943605,0.0933943605,GGA,P1,A4B14C4D48E3F9_aP246_1_12a_42a_12a_144a_9a_27a:Mg-Na-Nb-O-S-Si,246.0,A4B14C4D48E3F9_aP246_1_12a_42a_12a_144a_9a_27a:Mg-Na-Nb-O-S-Si +mp-2716042,Na42Mg20Nb4Si15(S7O48)3,-6.6108746505,-2.5111784084,0.1017300655,0.1017300655,GGA,P1,A20B42C4D144E21F15_aP246_1_20a_42a_4a_144a_21a_15a:Mg-Na-Nb-O-S-Si,246.0,A20B42C4D144E21F15_aP246_1_20a_42a_4a_144a_21a_15a:Mg-Na-Nb-O-S-Si +mp-2715664,Na3MgNb5Si6(SO12)3,-7.9404415267,-2.7716187023,0.0745873972,0.0745873972,GGA,Cc,AB3C5D36E3F6_mC216_9_a_3a_5a_36a_3a_6a:Mg-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - AB3C5D36E3F6_mC216_9_a_3a_5a_72a_4a_11a:Mg-Na-Nb-O-S-Si, expected Na3MgNb5Si11(SO18)4 to be Na3MgNb5Si6(SO12)3" +mp-2713564,Na4Mg2Nb2Si3(SO8)3,-7.1994093449,-2.5652223945,0.1449390204,0.1449390204,GGA,P1,A2B4C2D24E3F3_aP114_1_6a_12a_6a_72a_9a_9a:Mg-Na-Nb-O-S-Si,114.0,A2B4C2D24E3F3_aP114_1_6a_12a_6a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2715368,Na9MgNb5(SiO4)9,-7.7925664192,-2.9439299398000003,0.0372963165,0.0372963165,GGA,P1,AB9C5D36E9_aP360_1_6a_54a_30a_216a_54a:Mg-Na-Nb-O-Si,360.0,AB9C5D36E9_aP360_1_6a_54a_30a_216a_54a:Mg-Na-Nb-O-Si +mp-2715265,Na9MgNb5(SiO4)9,-7.7952212249,-2.9465847455,0.0346415109,0.0346415109,GGA,P1,AB9C5D36E9_aP120_1_2a_18a_10a_72a_18a:Mg-Na-Nb-O-Si,240.0,"Invalid WP multiplicities - AB9C5D36E9_aP120_1_3a_36a_20a_144a_36a:Mg-Na-Nb-O-Si, expected Na36Mg3Nb20(SiO4)36 to be Na9MgNb5(SiO4)9" +mp-2714163,Na3Mg5Nb(SO4)9,-6.7091825695,-2.3132728737,0.0,-0.008521298,GGA,P3c1,A5B3CD36E9_hP108_158_a2b2c_abc_a_12d_3d:Mg-Na-Nb-O-S,108.0,A5B3CD36E9_hP108_158_a2b2c_abc_a_12d_3d:Mg-Na-Nb-O-S +mp-2716184,Na18Mg8Nb4Si9(SO8)9,-6.8618918559,-2.5349717382,0.1455649769,0.1455649769,GGA,P1,A8B18C4D72E9F9_aP120_1_8a_18a_4a_72a_9a_9a:Mg-Na-Nb-O-S-Si,120.0,A8B18C4D72E9F9_aP120_1_8a_18a_4a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2714393,Na42Mg8Nb16Si33(SO48)3,-7.4499544191,-2.8412666046,0.0621712328,0.0621712328,GGA,P1,A8B42C16D144E3F33_aP246_1_8a_42a_16a_144a_3a_33a:Mg-Na-Nb-O-S-Si,246.0,A8B42C16D144E3F33_aP246_1_8a_42a_16a_144a_3a_33a:Mg-Na-Nb-O-S-Si +mp-2714430,Na6Mg8Nb4Si3(S5O24)3,-6.9818927761000005,-2.3927547981,0.053751382,0.053751382,GGA,P1,A8B6C4D72E15F3_aP108_1_8a_6a_4a_72a_15a_3a:Mg-Na-Nb-O-S-Si,108.0,A8B6C4D72E15F3_aP108_1_8a_6a_4a_72a_15a_3a:Mg-Na-Nb-O-S-Si +mp-2713894,NaMgNb3Si3(SO8)3,-7.7938475761,-2.632917484,0.0672345459,0.0672345459,GGA,P1,ABC3D24E3F3_aP105_1_3a_3a_9a_72a_9a_9a:Mg-Na-Nb-O-S-Si,105.0,ABC3D24E3F3_aP105_1_3a_3a_9a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2713513,Mg2Nb4Si3(SO6)6,-7.6393618191,-2.4867887376,0.0487220624,0.0487220624,GGA,Cc,A2B4C36D6E3_mC204_9_2a_4a_36a_6a_3a:Mg-Nb-O-S-Si,102.0,"Invalid WP multiplicities - A2B4C36D6E3_mC204_9_2a_4a_60a_9a_4a:Mg-Nb-O-S-Si, expected Mg2Nb4Si4(S3O20)3 to be Mg2Nb4Si3(SO6)6" +mp-2712606,NaMgNbSi(SO6)2,-7.2500145264,-2.4676482663,0.1120912203,0.1120912203,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Mg-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_72a_10a_3a:Mg-Na-Nb-O-S-Si, expected Na3Mg3Nb3Si3(S5O36)2 to be NaMgNbSi(SO6)2" +mp-2714181,Na7Mg3NbSi3(SO8)3,-6.7233990945,-2.5388709236,0.1249176285,0.1249176285,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Mg-Na-Nb-O-S-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Mg-Na-Nb-O-S-Si +mp-2714626,NaMg3Nb(SO4)6,-6.84585082,-2.2811679984,0.0076825027,0.0076825027,GGA,P3,A3BCD24E6_hP105_143_3a2b4c_a2c_a2b_24d_6d:Mg-Na-Nb-O-S,105.0,A3BCD24E6_hP105_143_3a2b4c_a2c_a2b_24d_6d:Mg-Na-Nb-O-S +mp-2715716,Na8Mg2Nb2Si5SO24,-7.1318865267,-2.7517212502,0.0764225403,0.0764225403,GGA,P1,A2B8C2D24EF5_aP126_1_6a_24a_6a_72a_3a_15a:Mg-Na-Nb-O-S-Si,126.0,A2B8C2D24EF5_aP126_1_6a_24a_6a_72a_3a_15a:Mg-Na-Nb-O-S-Si +mp-561512,K4Cu4Cl10O,-3.828064265,-1.4980391187,0.0,-0.0059528618,GGA,C2/c,A10B4C4D_mC76_15_2e4f_2f_2f_e:Cl-Cu-K-O,38.0,"Invalid WP multiplicities - A10B4C4D_mC76_15_4e15f_3f_6f_e:Cl-Cu-K-O, expected K12Cu6Cl34O to be K4Cu4Cl10O" +mp-1195655,CdCu(SeO3)2,-5.4273095535,-1.2579043882,0.0006263995,0.0006263995,GGA,P2_1/c,ABC6D2_mP40_14_e_e_6e_2e:Cd-Cu-O-Se,40.0,ABC6D2_mP40_14_e_e_6e_2e:Cd-Cu-O-Se +mp-553914,KCdCu7Se2Cl9O8,-4.4792295437,-1.1245903301,0.0258166932,0.0258166932,GGA,P6_3/mmc,AB9C7DE8F2_hP56_194_a_hk_ck_b_fk_f:Cd-Cl-Cu-K-O-Se,56.0,"Invalid WP multiplicities - AB9C7DE8F2_hP56_194_a_5h5k_ck_b_4f5k_f:Cd-Cl-Cu-K-O-Se, expected KCdCu7Se2Cl45O38 to be KCdCu7Se2Cl9O8" +mp-556074,K2Cu3(SeO3)4,-5.516233631,-1.3323132334,0.0,-0.0001505894,GGA,P-1,A3B2C12D4_aP21_2_ai_i_6i_2i:Cu-K-O-Se,21.0,"Invalid WP multiplicities - A3B2C12D4_aP21_2_ai_i_11i_3i:Cu-K-O-Se, expected K2Cu3(Se3O11)2 to be K2Cu3(SeO3)4" +mp-1212035,K2Cu(Cl2O)2,-3.4219892772,-0.7989305409,0.6273274168,0.6273274168,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_d_e:Cl-Cu-K-O,18.0,A4BC2D2_tP18_136_fg_a_d_e:Cl-Cu-K-O +mp-1212085,K2Cu(Cl2O)2,-3.3368214439,-0.7137627076,0.7124952501,0.7124952501,GGA,P4_2/mnm,A4BC2D2_tP18_136_j_a_d_e:Cl-Cu-K-O,18.0,A4BC2D2_tP18_136_j_a_d_e:Cl-Cu-K-O +mp-1078646,K2Cu(Cl2O)2,-3.68297553,-1.0599167937,0.366341164,0.366341164,GGA,I4/mmm,A4BC2D2_tI18_139_h_a_d_e:Cl-Cu-K-O,9.0,A4BC2D2_tI18_139_h_a_d_e:Cl-Cu-K-O +mp-2232521,RbMgV2Fe(AgO4)2,-6.7660731867,-1.8022552421,0.2709181651,0.2709181651,GGA+U,P1,A2BCD8EF2_aP15_1_2a_a_a_8a_a_2a:Ag-Fe-Mg-O-Rb-V,15.0,A2BCD8EF2_aP15_1_2a_a_a_8a_a_2a:Ag-Fe-Mg-O-Rb-V +mp-1103452,RbV2Fe(AgO4)2,-7.0432166675,-1.8391460161,0.0102270958,0.0102270958,GGA+U,P-3,A2BC8DE2_hP14_147_d_a_dg_b_d:Ag-Fe-O-Rb-V,28.0,A2BC8DE2_hP14_147_d_a_dg_b_d:Ag-Fe-O-Rb-V +mp-2231172,MgAg6Mo2ClO7F3,-5.5262717425,-1.4014362009,0.2072254883,0.2072254883,GGA+U,P3m1,A6BC3DE2F7_hP20_156_2d_c_d_a_ab_b2d:Ag-Cl-F-Mg-Mo-O,20.0,"Invalid WP multiplicities - A6BC3DE2F7_hP20_156_4d_c_d_a_ab_b6d:Ag-Cl-F-Mg-Mo-O, expected MgAg12Mo2ClO19F3 to be MgAg6Mo2ClO7F3" +mp-553919,Ag6Mo2ClO7F3,-5.6206414179,-1.3629345347,0.0,-0.0216787689,GGA+U,P3m1,A6BC3D2E7_hP19_156_2d_b_d_ac_a2d:Ag-Cl-F-Mo-O,19.0,"Invalid WP multiplicities - A6BC3D2E7_hP19_156_4d_b_d_ac_a6d:Ag-Cl-F-Mo-O, expected Ag12Mo2ClO19F3 to be Ag6Mo2ClO7F3" +mp-2715614,Na2Hf4Nb4Si7S5O48,-8.299131098,-2.8851373758000003,0.0364389766,0.0364389766,GGA,P1,A4B2C4D48E5F7_aP210_1_12a_6a_12a_144a_15a_21a:Hf-Na-Nb-O-S-Si,210.0,A4B2C4D48E5F7_aP210_1_12a_6a_12a_144a_15a_21a:Hf-Na-Nb-O-S-Si +mp-2713868,Hf2Nb2Si3(SO8)3,-8.3270617536,-2.8116846683,0.0231376902,0.0231376902,GGA,P1,A2B2C24D3E3_aP102_1_6a_6a_72a_9a_9a:Hf-Nb-O-S-Si,102.0,A2B2C24D3E3_aP102_1_6a_6a_72a_9a_9a:Hf-Nb-O-S-Si +mp-2715119,Na4Hf2Nb2Si5SO24,-8.1754494414,-3.0335900098,0.0514711646,0.0514711646,GGA,P1,A2B4C2D24EF5_aP114_1_6a_12a_6a_72a_3a_15a:Hf-Na-Nb-O-S-Si,114.0,A2B4C2D24EF5_aP114_1_6a_12a_6a_72a_3a_15a:Hf-Na-Nb-O-S-Si +mp-2715222,Na3HfNb(SiO4)3,-8.0914621028,-3.108347674,0.0124501273,0.0124501273,GGA,Cc,AB3CD12E3_mC240_9_3a_9a_3a_36a_9a:Hf-Na-Nb-O-Si,120.0,"Invalid WP multiplicities - AB3CD12E3_mC240_9_3a_14a_3a_72a_18a:Hf-Na-Nb-O-Si, expected Na14Hf3Nb3(SiO4)18 to be Na3HfNb(SiO4)3" +mp-2715481,Na3HfNb(SiO4)3,-8.0908135261,-3.1076990974,0.013098704,0.013098704,GGA,Cc,AB3CD12E3_mC80_9_a_3a_a_12a_3a:Hf-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB3CD12E3_mC80_9_a_3a_a_30a_6a:Hf-Na-Nb-O-Si, expected Na3HfNb(SiO5)6 to be Na3HfNb(SiO4)3" +mp-2712835,Na7Hf3Nb(SiO4)6,-8.0373608285,-3.1470440862,0.0083887477,0.0083887477,GGA,P1,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Hf-Na-Nb-O-Si,123.0,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Hf-Na-Nb-O-Si +mp-2713090,Na6Hf4Nb4Si9(SO16)3,-8.2190123337,-2.9913447925,0.0619553891,0.0619553891,GGA,P1,A4B6C4D48E3F9_aP222_1_12a_18a_12a_144a_9a_27a:Hf-Na-Nb-O-S-Si,222.0,A4B6C4D48E3F9_aP222_1_12a_18a_12a_144a_9a_27a:Hf-Na-Nb-O-S-Si +mp-2713403,Na5HfNb3(SiO4)6,-8.143272483,-3.062601512,0.0217851012,0.0217851012,GGA,P1,AB5C3D24E6_aP117_1_3a_15a_9a_72a_18a:Hf-Na-Nb-O-Si,117.0,AB5C3D24E6_aP117_1_3a_15a_9a_72a_18a:Hf-Na-Nb-O-Si +mp-1224438,HfNbSi,-8.8256289067,-0.3310248733,0.3190456803,0.3190456803,GGA,Amm2,ABC_oC24_38_2c_cd_abe:Hf-Nb-Si,12.0,"Invalid WP multiplicities - ABC_oC24_38_3c_cd_abe:Hf-Nb-Si, expected Hf3(NbSi)2 to be HfNbSi" +mp-2714016,NaHf3NbSi3(SO8)3,-8.2877196313,-2.8962559118,0.0310601933,0.0310601933,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Hf-Na-Nb-O-S-Si,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Hf-Na-Nb-O-S-Si +mp-2716299,Na10Hf4Nb4Si11SO48,-8.1317482953,-3.0712965575,0.0320910923,0.0320910923,GGA,P1,A4B10C4D48EF11_aP234_1_12a_30a_12a_144a_3a_33a:Hf-Na-Nb-O-S-Si,234.0,A4B10C4D48EF11_aP234_1_12a_30a_12a_144a_3a_33a:Hf-Na-Nb-O-S-Si +mp-2715722,NaHfNbSi2SO12,-8.2570554713,-2.9388127032,0.0505547898,0.0505547898,GGA,Cc,ABCD12EF2_mC72_9_a_a_a_12a_a_2a:Hf-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12EF2_mC72_9_a_a_a_60a_a_7a:Hf-Na-Nb-O-S-Si, expected NaHfNbSi7SO60 to be NaHfNbSi2SO12" +mp-1202405,Si4Bi2AsH38(C7Cl)2,-5.0853316725,-0.2351128412,0.0577478081,0.0577478081,GGA,P-1,AB2C14D2E38F4_aP122_2_i_2i_14i_2i_38i_4i:As-Bi-C-Cl-H-Si,122.0,AB2C14D2E38F4_aP122_2_i_2i_14i_2i_38i_4i:As-Bi-C-Cl-H-Si +mp-1197314,Si3BiH27(C5Cl)2,-5.0928410433,-0.2625207019,0.0621127247,0.0621127247,GGA,P-1,AB10C2D27E3_aP172_2_2i_20i_4i_54i_6i:Bi-C-Cl-H-Si,172.0,AB10C2D27E3_aP172_2_2i_20i_4i_54i_6i:Bi-C-Cl-H-Si +mp-1198214,As2H2CCl4,-4.328262465,-0.6919845725,0.0764778014,0.0764778014,GGA,Cc,A2BC4D2_mC108_9_6a_3a_12a_6a:As-C-Cl-H,54.0,A2BC4D2_mC108_9_6a_3a_12a_6a:As-C-Cl-H +mp-2712954,Na3Ta2Si3Sn2(PO8)3,-7.9004915169,-2.8480951513,0.0200977748,0.0200977748,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Ta,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Ta +mp-2713052,Na7TaSi6(SnO8)3,-7.2315367569,-2.7335707203,0.0162831364,0.0162831364,GGA,P1,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-Si-Sn-Ta,123.0,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-Si-Sn-Ta +mp-2716449,Na5Ta2Si5Sn2PO24,-7.7165697371,-2.8548326303,0.032304555,0.032304555,GGA,P1,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Ta,117.0,A5B24CD5E2F2_aP117_1_15a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Ta +mp-2713980,NaTaSn3(PO4)6,-7.6860437631,-2.6457762603,0.003593697,0.003593697,GGA,P3,AB24C6D3E_hP105_143_a2b_24d_6d_2a4b3c_2ac:Na-O-P-Sn-Ta,105.0,AB24C6D3E_hP105_143_a2b_24d_6d_2a4b3c_2ac:Na-O-P-Sn-Ta +mp-2715149,Na2TaSi2SnPO12,-7.7981926557,-2.8436345939,0.0389348465,0.0389348465,GGA,Cc,A2B12CD2EF_mC76_9_2a_12a_a_2a_a_a:Na-O-P-Si-Sn-Ta,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC76_9_2a_72a_a_12a_a_a:Na-O-P-Si-Sn-Ta, expected Na2TaSi12SnPO72 to be Na2TaSi2SnPO12" +mp-2715612,NaTaSiSn(PO6)2,-7.9825805444,-2.8269104134000003,0.021495572,0.021495572,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-P-Si-Sn-Ta,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-P-Si-Sn-Ta, expected NaTaSiSnP3O20 to be NaTaSiSn(PO6)2" +mp-2713168,Na5Ta3Si6SnO24,-8.0738822126,-3.01060097,0.0079473498,0.0079473498,GGA,P1,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-Si-Sn-Ta,117.0,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-Si-Sn-Ta +mp-2715552,NaTa2SiSn2P5O24,-8.0734270764,-2.8085818222,0.0175426948,0.0175426948,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Ta,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Ta +mp-2715425,Na3TaSi3SnO12,-7.6391548403,-2.8655976407,0.0152447667,0.0152447667,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-Si-Sn-Ta,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-Si-Sn-Ta, expected Na14Ta3Si18(SnO24)3 to be Na3TaSi3SnO12" +mp-2715282,Na3TaSi3SnO12,-7.639602763,-2.8660455635,0.014796844,0.014796844,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-Si-Sn-Ta,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-Si-Sn-Ta, expected Na3TaSi6SnO30 to be Na3TaSi3SnO12" +mp-2714000,TaSn(PO4)3,-8.1546588511,-2.7742164075,0.0,-0.006530515,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-P-Sn-Ta,102.0,"Invalid WP multiplicities - A12B3CD_hR102_161_12b_b_a_a:O-P-Sn-Ta, expected TaSn(PO12)3 to be TaSn(PO4)3" +mp-1221546,Na16Al12Si12I3ClO48,-7.1200038743,-3.0447775171,0.0023996683,0.0023996683,GGA,P222,A12BC3D16E48F12_oP92_16_2inpu_c_ej_4u_12u_2lqru:Al-Cl-I-Na-O-Si,92.0,"Invalid WP multiplicities - A12BC3D16E48F12_oP92_16_4i2n2p2u_c_ej_13u_48u_4l2q2r2u:Al-Cl-I-Na-O-Si, expected Na52Al24Si24I3ClO192 to be Na16Al12Si12I3ClO48" +mp-27935,AlICl6,-3.3700980356,-1.3313277681,0.0,-0.1926077962,GGA,P2_1,AB6C_mP16_4_a_6a_a:Al-Cl-I,16.0,AB6C_mP16_4_a_6a_a:Al-Cl-I +mp-23655,Na4Al3Si3IO12,-7.1056740533,-3.0345256342,0.0,-0.0285877325,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-I-Na-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-I-Na-O-Si +mp-672352,Al(ICl2)3,-3.0219583998,-1.0962689158,0.0,-0.0160252457,GGA,C2/c,AB6C3_mC80_15_f_6f_3f:Al-Cl-I,40.0,"Invalid WP multiplicities - AB6C3_mC80_15_f_22f_7f:Al-Cl-I, expected AlI7Cl22 to be Al(ICl2)3" +mp-1220856,Na8Al6Si6IClO24,-7.1366355611,-3.0573312657,0.002497471,0.002497471,GGA,P23,A6BCD8E24F6_cP46_195_g_a_b_2e_2j_h:Al-Cl-I-Na-O-Si,46.0,A6BCD8E24F6_cP46_195_g_a_b_2e_2j_h:Al-Cl-I-Na-O-Si +mp-2712777,Na3CaScSi(SO6)2,-6.9036390664,-2.6354327082,0.1049995119,0.1049995119,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ca-Na-O-S-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Ca-Na-O-S-Sc-Si, expected Na4CaScSiS3O20 to be Na3CaScSi(SO6)2" +mp-2715893,Na14Ca4Sc4Si5S7O48,-6.8922310972,-2.6801527142,0.0936689496,0.0936689496,GGA,P1,A4B14C48D7E4F5_aP246_1_12a_42a_144a_21a_12a_15a:Ca-Na-O-S-Sc-Si,246.0,A4B14C48D7E4F5_aP246_1_12a_42a_144a_21a_12a_15a:Ca-Na-O-S-Sc-Si +mp-2714676,Na10Ca4Sc4Si3(S3O16)3,-6.9335224959,-2.6063098048,0.0990206925,0.0990206925,GGA,P1,A4B10C48D9E4F3_aP234_1_12a_30a_144a_27a_12a_9a:Ca-Na-O-S-Sc-Si,234.0,A4B10C48D9E4F3_aP234_1_12a_30a_144a_27a_12a_9a:Ca-Na-O-S-Sc-Si +mp-2712814,Na6Ca4Sc4SiS11O48,-7.0207167564,-2.565922805,0.0316770072,0.0316770072,GGA,P1,A4B6C48D11E4F_aP222_1_12a_18a_144a_33a_12a_3a:Ca-Na-O-S-Sc-Si,222.0,A4B6C48D11E4F_aP222_1_12a_18a_144a_33a_12a_3a:Ca-Na-O-S-Sc-Si +mp-2715035,Na8Ca2Sc2Si3(SO8)3,-6.8426711007000005,-2.6840479322,0.1070197836,0.1070197836,GGA,P1,A2B8C24D3E2F3_aP126_1_6a_24a_72a_9a_6a_9a:Ca-Na-O-S-Sc-Si,126.0,A2B8C24D3E2F3_aP126_1_6a_24a_72a_9a_6a_9a:Ca-Na-O-S-Sc-Si +mp-17597,Ca(ScS2)2,-6.7237386861,-2.2642618921,0.0033192336,0.0033192336,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-S-Sc,28.0,AB4C2_oP28_62_c_4c_2c:Ca-S-Sc +mp-2714165,Na7CaSc3Si3(SO8)3,-7.0896227245,-2.7562930413,0.0940116739,0.0940116739,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-S-Sc-Si,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-S-Sc-Si +mp-2713466,Na4Ca2Sc2SiS5O24,-6.9861276225,-2.5968030021,0.056201839,0.056201839,GGA,P1,A2B4C24D5E2F_aP114_1_6a_12a_72a_15a_6a_3a:Ca-Na-O-S-Sc-Si,114.0,A2B4C24D5E2F_aP114_1_6a_12a_72a_15a_6a_3a:Ca-Na-O-S-Sc-Si +mp-2714142,NaCaSc(SO4)3,-7.0358715606,-2.5119710931,0.0271456329,0.0271456329,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Na-O-S-Sc,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Ca-Na-O-S-Sc, expected NaCaSc(SO12)3 to be NaCaSc(SO4)3" +mp-2714630,NaCaSc3(SO4)6,-7.2894569591,-2.5504637946,0.0087889871,0.0087889871,GGA,P3,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Ca-Na-O-S-Sc,105.0,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Ca-Na-O-S-Sc +mp-2715060,Na3Ca3Sc(SO4)6,-6.8126393273,-2.4922049247,0.0278641811,0.0278641811,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ca-Na-O-S-Sc,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ca-Na-O-S-Sc +mp-2231110,Ba2Nd2MgCu2(BO5)2,-7.0614378947,-2.5351953269000003,0.3781302145,0.3781302145,GGA,P4,A2B2C2DE2F10_tP19_75_c_ab_c_a_ab_c2d:B-Ba-Cu-Mg-Nd-O,19.0,"Invalid WP multiplicities - A2B2C2DE2F10_tP19_75_c_ab_c_a_ab_c3d:B-Ba-Cu-Mg-Nd-O, expected Ba2Nd2MgCu2(BO7)2 to be Ba2Nd2MgCu2(BO5)2" +mp-10350,BaNdCuBO5,-7.5296042822,-2.8408082412,0.0,-0.0031742957,GGA,P4bm,ABCDE5_tP18_100_b_a_b_a_b2c:B-Ba-Cu-Nd-O,18.0,"Invalid WP multiplicities - ABCDE5_tP18_100_b_a_b_a_b3c:B-Ba-Cu-Nd-O, expected BaNdCuBO7 to be BaNdCuBO5" +mp-1026902,Mg14CuB,-1.9197895675,0.1541178788,0.1886041472,0.1886041472,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Cu-Mg, expected Mg18CuB to be Mg14CuB" +mp-1026874,Mg14CuB,-1.8844764956,0.1894309507,0.2239172191,0.2239172191,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Cu-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Cu-Mg, expected Mg26CuB to be Mg14CuB" +mp-1022085,Mg6CuB,-2.2065411619,0.3409936807,0.4099662175,0.4099662175,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Cu-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:B-Cu-Mg, expected Mg12CuB to be Mg6CuB" +mp-1022116,Mg6CuB,-2.3557473075,0.1917875351,0.2607600719,0.2607600719,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Cu-Mg,8.0,ABC6_oC16_38_a_b_abde:B-Cu-Mg +mp-2714475,Na7Si5Sn2Ge2PO24,-6.9146561464000005,-2.5784781415,0.052529788,0.052529788,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Sn,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Sn +mp-2713457,NaSnGe(PO4)3,-7.2434481295,-2.4903760707,0.0152218456,0.0152218456,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Sn,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Sn +mp-2715385,Na3Si2SnGePO12,-6.9735503784,-2.5623314438,0.0685680322,0.0685680322,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Sn,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Sn +mp-2715350,Na3Si2SnGePO12,-6.9710475479,-2.5598286133,0.0710708627,0.0710708627,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Sn,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Sn +mp-2712730,Na2SiSnGe(PO6)2,-7.0983004919,-2.5251511301000003,0.0629333227,0.0629333227,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Sn,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Sn +mp-2712964,Na3SiSn2Ge2P5O24,-7.1712505149,-2.5105711923,0.0378033066,0.0378033066,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Sn +mp-569991,Na15SnGe8P,-2.8417758994,-0.1919768353,0.0,-0.0097482686,GGA,Cmcm,A8B15CD_oC100_63_2gh_cf2g2h_c_a:Ge-Na-P-Sn,50.0,"Invalid WP multiplicities - A8B15CD_oC100_63_7g4h_2c4f7g11h_c_a:Ge-Na-P-Sn, expected Na68SnGe30P to be Na15SnGe8P" +mp-2714074,Na5Si3Sn2Ge2(PO8)3,-7.0273299333,-2.5372218162,0.0775337373,0.0775337373,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Sn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Sn +mp-24182,Rb2ZnH12(SeO7)2,-5.3054220765,-1.4286804891,0.0,-0.0082341195,GGA,P2_1/c,A12B14C2D2E_mP62_14_6e_7e_e_e_a:H-O-Rb-Se-Zn,62.0,"Invalid WP multiplicities - A12B14C2D2E_mP62_14_8e_12e_e_e_a:H-O-Rb-Se-Zn, expected Rb2ZnH16(SeO12)2 to be Rb2ZnH12(SeO7)2" +mp-1200099,Rb2ZnBr4,-3.1401343135,-1.7925735885,0.0006426202,-0.0161687616,GGA,Pc,A4B2C_mP168_7_48a_24a_12a:Br-Rb-Zn,168.0,A4B2C_mP168_7_48a_24a_12a:Br-Rb-Zn +mp-1196780,Rb2ZnBr4,-3.1404841335,-1.7929234085,0.0002928002,-0.0165185816,GGA,Cc,A4B2C_mC336_9_48a_24a_12a:Br-Rb-Zn,168.0,A4B2C_mC336_9_48a_24a_12a:Br-Rb-Zn +mp-636598,Rb2ZnBr4,-3.1388085114,-1.7912477864,0.0019684223,-0.0148429596,GGA,P2_1/c,A4B2C_mP28_14_4e_2e_e:Br-Rb-Zn,28.0,"Invalid WP multiplicities - A4B2C_mP28_14_11e_5e_e:Br-Rb-Zn, expected Rb5ZnBr11 to be Rb2ZnBr4" +mp-1192489,Rb2ZnBr4,-3.1347395296,-1.7871788046,0.006037404,-0.0107739778,GGA,Pna2_1,A4B2C_oP28_33_4a_2a_a:Br-Rb-Zn,28.0,A4B2C_oP28_33_4a_2a_a:Br-Rb-Zn +mp-1198192,Rb2ZnBr4,-3.1407769337,-1.7932162087,0.0,-0.0168113819,GGA,Pna2_1,A4B2C_oP84_33_12a_6a_3a:Br-Rb-Zn,84.0,A4B2C_oP84_33_12a_6a_3a:Br-Rb-Zn +mp-570168,Rb2ZnBr4,-3.1353789236,-1.7878181986,0.0053980101,-0.0114133718,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Br-Rb-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_6c5d_3c_c:Br-Rb-Zn, expected Rb3ZnBr16 to be Rb2ZnBr4" +mp-863017,RbZnH2Se2BrO6,-5.1099598419,-1.4752895861,0.0,-0.0103595132,GGA,P2/c,AB2C6DE2F_mP26_13_e_g_3g_f_g_e:Br-H-O-Rb-Se-Zn,26.0,"Invalid WP multiplicities - AB2C6DE2F_mP26_13_e_g_9g_f_g_e:Br-H-O-Rb-Se-Zn, expected RbZnH2Se2BrO18 to be RbZnH2Se2BrO6" +mp-998299,RbSeBr3,-2.973246042,-1.146139934,0.0507246969,0.0507246969,GGA,P2_1/m,A3BC_mP10_11_ef_e_a:Br-Rb-Se,10.0,A3BC_mP10_11_ef_e_a:Br-Rb-Se +mp-998366,RbSeBr3,-2.96387529,-1.136769182,0.0600954489,0.0600954489,GGA,P4mm,A3BC_tP5_99_ac_b_a:Br-Rb-Se,5.0,"Invalid WP multiplicities - A3BC_tP5_99_a2c_b_a:Br-Rb-Se, expected RbSeBr5 to be RbSeBr3" +mp-505001,Rb3ZnBr5,-3.1814812161,-1.8518714964,0.002973439,0.002973439,GGA,Pnma,A5B3C_oP36_62_3cd_cd_c:Br-Rb-Zn,36.0,"Invalid WP multiplicities - A5B3C_oP36_62_10c5d_c2d_c:Br-Rb-Zn, expected Rb5ZnBr20 to be Rb3ZnBr5" +mp-1192612,RbZn2HSe2O7,-5.3331383315,-1.6014928491,0.0,-0.0329063887,GGA,P-1,AB7CD2E2_aP26_2_i_7i_i_2i_2i:H-O-Rb-Se-Zn,26.0,AB7CD2E2_aP26_2_i_7i_i_2i_2i:H-O-Rb-Se-Zn +mp-782640,K8Li3Cr4O16,-6.2884987926,-2.018525585,0.0374463619,0.0374463619,GGA+U,P1,A4B8C3D16_aP31_1_4a_8a_3a_16a:Cr-K-Li-O,31.0,A4B8C3D16_aP31_1_4a_8a_3a_16a:Cr-K-Li-O +mp-850924,K8Li9Cr4O16,-5.8601036057,-1.9730034263,0.0686700875,0.0686700875,GGA+U,P1,A4B8C9D16_aP37_1_4a_8a_9a_16a:Cr-K-Li-O,37.0,A4B8C9D16_aP37_1_4a_8a_9a_16a:Cr-K-Li-O +mp-1178153,K4Li5Cr2O8,-5.7914280053,-1.9563851236,0.083344305,0.083344305,GGA+U,P1,A2B4C5D8_aP38_1_4a_8a_10a_16a:Cr-K-Li-O,38.0,A2B4C5D8_aP38_1_4a_8a_10a_16a:Cr-K-Li-O +mp-16282,KNa2Li3Cr2(Si2O5)6,-7.8713779288,-3.0255221134,0.0,-0.0033586623,GGA+U,P6/mcc,A2BC3D2E30F12_hP100_192_c_a_f_d_l2m_m:Cr-K-Li-Na-O-Si,100.0,"Invalid WP multiplicities - A2BC3D2E30F12_hP100_192_c_a_f_d_3l4m_m:Cr-K-Li-Na-O-Si, expected KNa2Li3Cr2(Si2O11)6 to be KNa2Li3Cr2(Si2O5)6" +mp-766413,K2Li3CrO4,-5.6592340433,-1.9204971624,0.0698804848,0.0698804848,GGA+U,P2_1/c,AB2C3D4_mP40_14_e_2e_3e_4e:Cr-K-Li-O,40.0,"Invalid WP multiplicities - AB2C3D4_mP40_14_e_7e_9e_15e:Cr-K-Li-O, expected K7Li9CrO15 to be K2Li3CrO4" +mp-555206,KLiCrO4,-6.7251447491,-2.0881270164,0.0,-0.0109168551,GGA+U,Pna2_1,ABCD4_oP56_33_2a_2a_2a_8a:Cr-K-Li-O,56.0,"Invalid WP multiplicities - ABCD4_oP56_33_6a_3a_4a_29a:Cr-K-Li-O, expected K3Li4Cr6O29 to be KLiCrO4" +mp-756262,KLi4CrO5,-5.9594254711,-2.0382817039,0.0779833849,0.0779833849,GGA+U,P-1,ABC4D5_aP22_2_i_i_4i_5i:Cr-K-Li-O,44.0,ABC4D5_aP22_2_i_i_4i_5i:Cr-K-Li-O +mp-728512,Ca4Ce2TiSi4(BO6)4,-8.3565475874,-3.3585107126,0.028032571,0.028032571,GGA,P2/c,A4B4C2D24E4F_mP78_13_2g_2g_g_ef11g_2g_a:B-Ca-Ce-O-Si-Ti,78.0,A4B4C2D24E4F_mP78_13_2g_2g_g_ef11g_2g_a:B-Ca-Ce-O-Si-Ti +mp-11750,Ti6Si2B,-7.86742551,-0.6559832955,0.0,-0.0305451415,GGA,P-62m,AB2C6_hP9_189_a_d_fg:B-Si-Ti,9.0,AB2C6_hP9_189_a_d_fg:B-Si-Ti +mp-557845,Na2TiS2O,-5.9579907475,-1.9979689061,0.0,-0.0923117938,GGA,P2_1/c,A2BC2D_mP24_14_2e_e_2e_e:Na-O-S-Ti,24.0,"Invalid WP multiplicities - A2BC2D_mP24_14_7e_e_5e_e:Na-O-S-Ti, expected Na7TiS5O to be Na2TiS2O" +mp-2713395,Ti2Si(SO6)2,-7.8728992003,-2.6464600043,0.024392092,0.024392092,GGA,Cc,A12B2CD2_mC204_9_36a_6a_3a_6a:O-S-Si-Ti,102.0,"Invalid WP multiplicities - A12B2CD2_mC204_9_60a_9a_3a_6a:O-S-Si-Ti, expected Ti2SiS3O20 to be Ti2Si(SO6)2" +mp-2713908,Na6Ti4Si5SO24,-7.6851276077,-2.9476103848,0.057366524,0.057366524,GGA,P1,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Ti,120.0,A6B24CD5E4_aP120_1_18a_72a_3a_15a_12a:Na-O-S-Si-Ti +mp-2713431,Na2Ti4Si3(SO8)3,-7.8236466789,-2.7782896952,0.0413819083,0.0413819083,GGA,P1,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Ti,108.0,A2B24C3D3E4_aP108_1_6a_72a_9a_9a_12a:Na-O-S-Si-Ti +mp-2714288,Na10Ti8Si9(SO16)3,-7.713051204,-2.9044940363,0.0750759704,0.0750759704,GGA,P1,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Ti,234.0,A10B48C3D9E8_aP234_1_30a_144a_9a_27a_24a:Na-O-S-Si-Ti +mp-2712866,Na6Ti8Si7S5O48,-7.7844730557,-2.8223160074,0.0657321264,0.0657321264,GGA,P1,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Ti,222.0,A6B48C5D7E8_aP222_1_18a_144a_15a_21a_24a:Na-O-S-Si-Ti +mp-2714563,Na14Ti8Si11SO48,-7.6551092149,-2.9851665737,0.0371664745,0.0371664745,GGA,P1,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Ti,246.0,A14B48CD11E8_aP246_1_42a_144a_3a_33a_24a:Na-O-S-Si-Ti +mp-2712636,Na2Ti2Si2SO12,-7.7501764912,-2.8668404343,0.0859854651,0.0859854651,GGA,Cc,A2B12CD2E2_mC76_9_2a_12a_a_2a_2a:Na-O-S-Si-Ti,114.0,"Invalid WP multiplicities - A2B12CD2E2_mC76_9_2a_72a_a_12a_6a:Na-O-S-Si-Ti, expected Na2Ti6Si12SO72 to be Na2Ti2Si2SO12" +mp-2716144,Na2Ti8Si5S7O48,-7.8449994977,-2.7116882966,0.0356995462,0.0356995462,GGA,P1,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Ti,210.0,A2B48C7D5E8_aP210_1_6a_144a_21a_15a_24a:Na-O-S-Si-Ti +mp-2715161,Na4Ta2Ti2Si5SO24,-8.1276012575,-3.0018062693,0.0563576363,0.0563576363,GGA,P1,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Ti,114.0,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Ti +mp-2713825,NaTaTi3Si3(SO8)3,-8.0452882246,-2.7803564607,0.0363429254,0.0363429254,GGA,P1,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Ti,105.0,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Ti +mp-2715603,NaTaTiSi2SO12,-8.2178180336,-2.9165321779,0.0379118708,0.0379118708,GGA,Cc,AB12CD2EF_mC72_9_a_12a_a_2a_a_a:Na-O-S-Si-Ta-Ti,108.0,"Invalid WP multiplicities - AB12CD2EF_mC72_9_a_60a_a_7a_a_a:Na-O-S-Si-Ta-Ti, expected NaTaTiSi7SO60 to be NaTaTiSi2SO12" +mp-2713782,Ta2Ti2Si3(SO8)3,-8.2751067418,-2.7776840343,0.0321491758,0.0321491758,GGA,P1,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Ta-Ti,102.0,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Ta-Ti +mp-2713018,Na6Ta4Ti4Si9(SO16)3,-8.1724536899,-2.9612847661,0.0578933145,0.0578933145,GGA,P1,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Ti,222.0,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Ti +mp-2715622,Na2Ta4Ti4Si7S5O48,-8.2425797724,-2.8460274459,0.0399834835,0.0399834835,GGA,P1,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Ti,210.0,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Ti +mp-2716492,Na10Ta4Ti4Si11SO48,-8.0866106691,-3.0418114658,0.0403955727,0.0403955727,GGA,P1,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Ti,234.0,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Ti +mp-699146,Mg3AlFe(SiO4)3,-7.520687442,-2.8880546513,0.1888757705,0.1888757705,GGA+U,P2_1,ABC3D12E3_mP40_4_a_a_3a_12a_3a:Al-Fe-Mg-O-Si,40.0,"Invalid WP multiplicities - ABC3D12E3_mP40_4_a_a_4a_23a_6a:Al-Fe-Mg-O-Si, expected Mg4AlFeSi6O23 to be Mg3AlFe(SiO4)3" +mp-1210669,MgAl3SiBO9,-7.9406187455,-3.3098243627,0.0,-0.0142507815,GGA,Pnma,A3BCD9E_oP60_62_abc_c_c_5c2d_c:Al-B-Mg-O-Si,60.0,A3BCD9E_oP60_62_abc_c_c_5c2d_c:Al-B-Mg-O-Si +mp-1196909,MgFe2BO5,-7.8786730647,-2.3283221984,0.0,-0.0023179578,GGA+U,Pbam,AB2CD5_oP36_55_g_adg_h_3g2h:B-Fe-Mg-O,36.0,AB2CD5_oP36_55_g_adg_h_3g2h:B-Fe-Mg-O +mp-1222235,Mg3Al12FeSi4(BO9)4,-7.9989203652,-3.2536302964,0.0001016109,0.0001016109,GGA+U,Pm,A12B4CD3E36F4_mP60_6_2a2b4c_2a2b_a_a2b_10a10b8c_2a2b:Al-B-Fe-Mg-O-Si,60.0,"Invalid WP multiplicities - A12B4CD3E36F4_mP60_6_2a2b8c_2a2b_a_a2b_10a10b16c_2a2b:Al-B-Fe-Mg-O-Si, expected Mg3Al20FeSi4(BO13)4 to be Mg3Al12FeSi4(BO9)4" +mp-8376,MgAlBO4,-7.7247643207,-3.1801925356,0.0,-0.0016335013,GGA,Pnma,ABCD4_oP28_62_a_c_c_2cd:Al-B-Mg-O,28.0,ABCD4_oP28_62_a_c_c_2cd:Al-B-Mg-O +mp-1032986,Mg6AlBO8,-6.2426983262,-2.5176884768,0.4821678011,0.4821678011,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-B-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-B-Mg-O, expected Mg6AlBO12 to be Mg6AlBO8" +mp-1032987,Mg6AlBO8,-6.2896646863,-2.5646548368,0.4352014411,0.4352014411,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-B-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-B-Mg-O, expected Mg6AlBO12 to be Mg6AlBO8" +mp-1210634,MgFeBO4,-7.764027045,-2.5445344913,0.0085919941,0.0085919941,GGA+U,Pnma,ABCD4_oP28_62_c_c_c_4c:B-Fe-Mg-O,28.0,ABCD4_oP28_62_c_c_c_4c:B-Fe-Mg-O +mp-1032236,Mg6FeBO8,-6.4427389944,-2.4224513087,0.4321736861,0.4321736861,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Fe-Mg-O, expected Mg6FeBO12 to be Mg6FeBO8" +mp-1032172,Mg6FeBO8,-6.3593545838,-2.3390668981,0.5155580967,0.5155580967,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Fe-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Fe-Mg-O, expected Mg6FeBO12 to be Mg6FeBO8" +mp-1222261,Mg3Al8Fe(Si5O18)2,-8.0274418266,-3.2762445523,0.000483951,0.000483951,GGA+U,C2,A8BC3D36E10_mC116_5_4c_a_a2b_18c_ab4c:Al-Fe-Mg-O-Si,58.0,"Invalid WP multiplicities - A8BC3D36E10_mC116_5_5c_a_a2b_27c_ab6c:Al-Fe-Mg-O-Si, expected Mg3Al10Fe(Si7O27)2 to be Mg3Al8Fe(Si5O18)2" +mp-1214903,Al3FeSiBO9,-8.0460145965,-2.9572374697,0.1177408806,0.1177408806,GGA+U,Pnma,A3BCD9E_oP60_62_abc_c_c_5c2d_c:Al-B-Fe-O-Si,60.0,A3BCD9E_oP60_62_abc_c_c_5c2d_c:Al-B-Fe-O-Si +mp-2240895,MgFe2(BO3)2,-7.9037055764,-2.3055930055,0.1356326843,0.1356326843,GGA+U,C2,A2B2CD6_mC22_5_ab_c_a_ab2c:B-Fe-Mg-O,11.0,A2B2CD6_mC22_5_ab_c_a_ab2c:B-Fe-Mg-O +mp-2217924,MgFe2(BO3)2,-7.8129481727,-2.2148356019,0.226390088,0.226390088,GGA+U,C2/m,A2B2CD6_mC22_12_i_ac_b_ij:B-Fe-Mg-O,11.0,"Invalid WP multiplicities - A2B2CD6_mC22_12_i_bc_a_i2j:B-Fe-Mg-O, expected MgFe2(BO5)2 to be MgFe2(BO3)2" +mp-694907,Mg5Al4Fe(SiO4)6,-7.5175272815,-2.9493732307,0.2679592842,0.2679592842,GGA+U,P1,A4BC5D24E6_aP80_1_8a_2a_10a_48a_12a:Al-Fe-Mg-O-Si,80.0,A4BC5D24E6_aP80_1_8a_2a_10a_48a_12a:Al-Fe-Mg-O-Si +mp-1249333,Mg5Al4Fe(SiO4)6,-7.5671470242,-2.9989929735,0.2183395414,0.2183395414,GGA+U,P1,A4BC5D24E6_aP80_1_8a_2a_10a_48a_12a:Al-Fe-Mg-O-Si,80.0,A4BC5D24E6_aP80_1_8a_2a_10a_48a_12a:Al-Fe-Mg-O-Si +mp-1222184,MgAl6FeSi2(BO9)2,-8.0574252067,-3.1976394519,0.0,-0.0035598042,GGA+U,Pmc2_1,A6B2CDE18F2_oP60_26_ab2c_ab_a_b_5a5b4c_ab:Al-B-Fe-Mg-O-Si,60.0,"Invalid WP multiplicities - A6B2CDE18F2_oP60_26_ab2c_ab_a_b_5a5b6c_ab:Al-B-Fe-Mg-O-Si, expected MgAl6FeSi2(BO11)2 to be MgAl6FeSi2(BO9)2" +mp-1222247,Mg9Al8Fe3(SiO4)12,-7.7946416876,-3.1406158724,0.0365132426,0.0365132426,GGA+U,C2,A8B3C9D48E12_mC160_5_4c_ac_a2b3c_24c_2a2b4c:Al-Fe-Mg-O-Si,80.0,"Invalid WP multiplicities - A8B3C9D48E12_mC160_5_6c_ac_a2b3c_36c_2a2b4c:Al-Fe-Mg-O-Si, expected Mg3Al4Fe(SiO6)4 to be Mg9Al8Fe3(SiO4)12" +mp-1035654,Mg14FeBO16,-6.4099758869,-2.7630898537,0.1912427934,0.1912427934,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Fe-Mg-O, expected Mg18FeBO20 to be Mg14FeBO16" +mp-1035531,Mg14FeBO16,-6.3397902084,-2.6929041753,0.2614284718,0.2614284718,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Fe-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Fe-Mg-O, expected Mg30FeBO32 to be Mg14FeBO16" +mp-1036399,Mg14AlBO16,-6.3105149084,-2.8112677934,0.2156804952,0.2156804952,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-B-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-B-Mg-O, expected Mg18AlBO20 to be Mg14AlBO16" +mp-1036398,Mg14AlBO16,-6.2966327444,-2.7973856293,0.2295626593,0.2295626593,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-B-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-B-Mg-O, expected Mg30AlBO32 to be Mg14AlBO16" +mp-1037542,Mg30FeBO32,-6.3557561652,-2.8955709583,0.108615515,0.108615515,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Fe-Mg-O, expected Mg90FeBO80 to be Mg30FeBO32" +mp-1037420,Mg30FeBO32,-6.34326724,-2.8830820331,0.1211044401,0.1211044401,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Fe-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Fe-Mg-O, expected Mg110FeBO72 to be Mg30FeBO32" +mp-1038188,Mg30AlBO32,-6.3152073283,-2.9288415805,0.1116527136,0.1116527136,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-B-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-B-Mg-O, expected Mg110AlBO72 to be Mg30AlBO32" +mp-1037955,Mg30AlBO32,-6.320368505,-2.9340027572,0.1064915368,0.1064915368,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-B-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-B-Mg-O, expected Mg90AlBO80 to be Mg30AlBO32" +mp-1210692,Mg2FeBO5,-7.4723025397,-2.6852562467,0.0,-0.0090968031,GGA+U,Pbam,ABC2D5_oP36_55_g_g_adh_3g2h:B-Fe-Mg-O,36.0,ABC2D5_oP36_55_g_g_adh_3g2h:B-Fe-Mg-O +mp-695082,Mg11AlFeSi11O36,-7.4354024448,-2.9757696194000003,0.2073035407,0.2073035407,GGA+U,P1,ABC11D36E11_aP60_1_a_a_11a_36a_11a:Al-Fe-Mg-O-Si,60.0,ABC11D36E11_aP60_1_a_a_11a_36a_11a:Al-Fe-Mg-O-Si +mp-1223304,Mg2Al16Fe6Si20O73,-8.0237841993,-3.0360531125,0.1157232505,0.1157232505,GGA+U,P1,A16B6C2D73E20_aP117_1_16a_6a_2a_73a_20a:Al-Fe-Mg-O-Si,117.0,A16B6C2D73E20_aP117_1_16a_6a_2a_73a_20a:Al-Fe-Mg-O-Si +mp-2715306,Na6MgSi2Ge3(PO6)4,-6.9354789603,-2.5697566969,0.0748700611,0.0748700611,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ge-Mg-Na-O-P-Si,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ge-Mg-Na-O-P-Si +mp-2715353,Na6MgSi2Ge3(PO6)4,-6.9264698421,-2.5607475788,0.0838791792,0.0838791792,GGA,P1,A3BC6D24E4F2_aP40_1_3a_a_6a_24a_4a_2a:Ge-Mg-Na-O-P-Si,80.0,"Invalid WP multiplicities - A3BC6D24E4F2_aP40_1_6a_a_12a_48a_8a_4a:Ge-Mg-Na-O-P-Si, expected Na12MgSi4Ge6(PO6)8 to be Na6MgSi2Ge3(PO6)4" +mp-1221943,MgGeP2,-4.5039284275,-0.2414501979,0.0782759755,0.0782759755,GGA,P-4m2,ABC2_tP4_115_a_c_g:Ge-Mg-P,4.0,ABC2_tP4_115_a_c_g:Ge-Mg-P +mp-34903,MgGeP2,-4.5686804125,-0.3062021829,0.0135239905,0.0135239905,GGA,I-42d,ABC2_tI16_122_a_b_d:Ge-Mg-P,8.0,ABC2_tI16_122_a_b_d:Ge-Mg-P +mp-2715132,Na8Mg3Ge(PO4)6,-6.7655071615,-2.6892115791,0.0299698117,0.0299698117,GGA,P3,AB3C8D24E6_hP126_143_2ab_2a3b4c_2a2b2c6d_24d_6d:Ge-Mg-Na-O-P,126.0,AB3C8D24E6_hP126_143_2ab_2a3b4c_2a2b2c6d_24d_6d:Ge-Mg-Na-O-P +mp-2714109,Na5MgSiGe3P5O24,-6.9916438652,-2.5481990007,0.0597667202,0.0597667202,GGA,P1,A3BC5D24E5F_aP117_1_9a_3a_15a_72a_15a_3a:Ge-Mg-Na-O-P-Si,117.0,A3BC5D24E5F_aP117_1_9a_3a_15a_72a_15a_3a:Ge-Mg-Na-O-P-Si +mp-2713678,Na4MgGe3(PO4)6,-7.0595038937,-2.5342457648,0.0347629628,0.0347629628,GGA,P1,A3BC4D24E6_aP114_1_9a_3a_12a_72a_18a:Ge-Mg-Na-O-P,114.0,A3BC4D24E6_aP114_1_9a_3a_12a_72a_18a:Ge-Mg-Na-O-P +mp-2714594,Na4MgSiGe(PO6)2,-6.7600807317000005,-2.6112427957,0.0849455383,0.0849455383,GGA,Cc,ABC4D12E2F_mC252_9_3a_3a_12a_36a_6a_3a:Ge-Mg-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12E2F_mC252_9_3a_3a_18a_60a_9a_3a:Ge-Mg-Na-O-P-Si, expected Na6MgSiGeP3O20 to be Na4MgSiGe(PO6)2" +mp-1222090,Mg6SiGe2,-2.9189777311,-0.2219717267,0.0039468533,0.0039468533,GGA,Immm,A2B6C_oI18_71_e_gn_b:Ge-Mg-Si,9.0,"Invalid WP multiplicities - A2B6C_oI18_71_e_2g2n_b:Ge-Mg-Si, expected Mg12SiGe2 to be Mg6SiGe2" +mp-2714154,Na14Mg5Ge3(PO4)12,-6.8298574105,-2.649533921,0.0355247054,0.0355247054,GGA,P1,A3B5C14D48E12_aP246_1_9a_15a_42a_144a_36a:Ge-Mg-Na-O-P,246.0,A3B5C14D48E12_aP246_1_9a_15a_42a_144a_36a:Ge-Mg-Na-O-P +mp-2715435,Na3MgGe(PO4)3,-6.8892527711,-2.5996999791,0.0494217616,0.0494217616,GGA,Cc,ABC3D12E3_mC240_9_3a_3a_9a_36a_9a:Ge-Mg-Na-O-P,120.0,"Invalid WP multiplicities - ABC3D12E3_mC240_9_3a_3a_14a_72a_18a:Ge-Mg-Na-O-P, expected Na14Mg3Ge3(PO4)18 to be Na3MgGe(PO4)3" +mp-2715513,Na3MgGe(PO4)3,-6.8927899455,-2.6032371535000003,0.0458845871,0.0458845871,GGA,Cc,ABC3D12E3_mC80_9_a_a_3a_12a_3a:Ge-Mg-Na-O-P,80.0,"Invalid WP multiplicities - ABC3D12E3_mC80_9_a_a_3a_30a_6a:Ge-Mg-Na-O-P, expected Na3MgGe(PO5)6 to be Na3MgGe(PO4)3" +mp-2714827,Na7MgSi3Ge3(PO8)3,-6.8693279487000005,-2.5775369402,0.0898806245,0.0898806245,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Ge-Mg-Na-O-P-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Ge-Mg-Na-O-P-Si +mp-2713199,Na10Mg3Ge5(PO4)12,-6.9700827797,-2.5656991826,0.0445121522,0.0445121522,GGA,P1,A5B3C10D48E12_aP234_1_15a_9a_30a_144a_36a:Ge-Mg-Na-O-P,234.0,A5B3C10D48E12_aP234_1_15a_9a_30a_144a_36a:Ge-Mg-Na-O-P +mp-2715567,Na8MgSi4Ge3(PO12)2,-6.8143290494,-2.5929487598,0.0737051979,0.0737051979,GGA,P1,A3BC8D24E2F4_aP126_1_9a_3a_24a_72a_6a_12a:Ge-Mg-Na-O-P-Si,126.0,A3BC8D24E2F4_aP126_1_9a_3a_24a_72a_6a_12a:Ge-Mg-Na-O-P-Si +mp-2715692,Na7Mg2SiGe2P5O24,-6.8256492728,-2.6081699436,0.0746960084,0.0746960084,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ge-Mg-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ge-Mg-Na-O-P-Si +mp-2714897,Na6MgGe7(PO4)12,-7.1545182984,-2.5018518792,0.023727073,0.023727073,GGA,P1,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ge-Mg-Na-O-P,222.0,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ge-Mg-Na-O-P +mp-1222108,Mg4SiGe,-2.9460001433,-0.2044224625,0.0,-0.0056043517,GGA,P4/mmm,AB4C_tP6_123_a_i_d:Ge-Mg-Si,6.0,AB4C_tP6_123_a_i_d:Ge-Mg-Si +mp-1222125,Mg4SiGe,-2.9330768583,-0.1914991775,0.012923285,0.0073189333,GGA,R-3m,AB4C_hR18_166_a_2c_b:Ge-Mg-Si,6.0,"Invalid WP multiplicities - AB4C_hR18_166_a_3c_b:Ge-Mg-Si, expected Mg6SiGe to be Mg4SiGe" +mp-1222117,Mg4SiGe,-2.4174776683,0.3241000125,0.528522475,0.5229181233,GGA,F-43m,AB4C_cF24_216_a_e_c:Ge-Mg-Si,6.0,AB4C_cF24_216_a_e_c:Ge-Mg-Si +mp-2712766,NaLaHfSi(SO6)2,-7.7433700481,-2.7836920632,0.1312539428,0.1312539428,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Hf-La-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Hf-La-Na-O-S-Si, expected NaLaHfSiS3O20 to be NaLaHfSi(SO6)2" +mp-2716380,Na2La4Hf4Si3(S3O16)3,-7.8088333619,-2.763649131,0.0757743384,0.0757743384,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Hf-La-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Hf-La-Na-O-S-Si +mp-1197947,La2HfS5,-7.3594816303,-2.2955500585,0.0,-0.0194385816,GGA,Pnma,AB2C5_oP32_62_c_d_3cd:Hf-La-S,32.0,AB2C5_oP32_62_c_d_3cd:Hf-La-S +mp-2713238,Na4La2Hf2Si3(SO8)3,-7.6556723821,-2.8535059030000003,0.13827166,0.13827166,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Hf-La-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Hf-La-Na-O-S-Si +mp-2714491,Na3LaHfSi2SO12,-7.5917836795,-2.9313775556,0.1151746118,0.1151746118,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Hf-La-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Hf-La-Na-O-S-Si, expected Na13LaHfSi7SO72 to be Na3LaHfSi2SO12" +mp-2713176,Na5La3HfSi3(SO8)3,-7.4264662412,-2.8422695855,0.1205217977,0.1205217977,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-La-Na-O-S-Si,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-La-Na-O-S-Si +mp-2714723,Na3LaHf3Si3(SO8)3,-7.9519599097,-2.9200414547,0.1022891088,0.1022891088,GGA,P1,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Hf-La-Na-O-S-Si,111.0,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Hf-La-Na-O-S-Si +mp-2713099,La2Hf2SiS5O24,-7.8691821021,-2.733461846,0.0259965847,0.0259965847,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Hf-La-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Hf-La-O-S-Si +mp-2715213,Na14La4Hf4Si9(SO16)3,-7.5770675161,-2.9823552153,0.0793123496,0.0793123496,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Hf-La-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Hf-La-Na-O-S-Si +mp-2715933,Na10La4Hf4Si7S5O48,-7.6189805275,-2.8895116665,0.1377266152,0.1377266152,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Hf-La-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Hf-La-Na-O-S-Si +mp-2715572,Na8La2Hf2Si5SO24,-7.5386664372,-3.0065196824,0.0638263437,0.0638263437,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Hf-La-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Hf-La-Na-O-S-Si +mp-2715850,Na6La4Hf4Si5S7O48,-7.7361558372,-2.8573621391,0.0970379097,0.0970379097,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Hf-La-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Hf-La-Na-O-S-Si +mp-697020,LiAlSiH2O5,-6.8791321002,-2.619260863,0.0132016367,0.0132016367,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si +mp-655048,LiAlSiH2O5,-6.7613062568,-2.5014350195,0.1310274802,0.1310274802,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_4a_a_13a_a:Al-H-Li-O-Si, expected LiAlSiH4O13 to be LiAlSiH2O5" +mp-655057,LiAlSiH2O5,-6.4614026495,-2.2015314122,0.4309310874,0.4309310874,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Al-H-Li-O-Si, expected LiAlSiH5O17 to be LiAlSiH2O5" +mp-604420,LiAlSiH2O5,-6.783564946,-2.5236937087,0.1087687909,0.1087687909,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_4a_a_13a_a:Al-H-Li-O-Si, expected LiAlSiH4O13 to be LiAlSiH2O5" +mp-604430,LiAlSiH2O5,-6.7487130598,-2.4888418225,0.1436206772,0.1436206772,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Al-H-Li-O-Si, expected LiAlSiH5O17 to be LiAlSiH2O5" +mp-555706,LiAlSiH2O5,-6.2568987315,-1.9970274942,0.6354350054,0.6354350054,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_6a_a_15a_a:Al-H-Li-O-Si, expected LiAlSi(H2O5)3 to be LiAlSiH2O5" +mp-1204399,LiAlSiH2O5,-6.863805805,-2.6039345677,0.0285279319,0.0285279319,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si +mp-1205443,LiAlSiH2O5,-6.8678022888,-2.6079310515,0.0245314482,0.0245314482,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si +mp-1255402,LiAlSiH2O5,-6.7936054533,-2.533734216,0.0987282837,0.0987282837,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_4a_a_13a_a:Al-H-Li-O-Si, expected LiAlSiH4O13 to be LiAlSiH2O5" +mp-1267031,LiAlSiH2O5,-6.790148909,-2.5302776717,0.1021848279,0.1021848279,GGA,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Al-H-Li-O-Si,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_4a_a_13a_a:Al-H-Li-O-Si, expected LiAlSiH4O13 to be LiAlSiH2O5" +mp-698018,LiAlSi2H2O7,-7.1427981985,-2.6876129811,0.0920866227,0.0920866227,GGA,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si +mp-684746,LiAlSi2H2O7,-6.6476930665000005,-2.1925078492,0.5871917546000001,0.5871917546000001,GGA,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si +mp-24104,LiAlSi2H2O7,-7.2274185823,-2.772233365,0.0074662389,0.0074662389,GGA,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si +mp-1249890,LiAlSi2H2O7,-6.6945288985,-2.2393436811,0.5403559227,0.5403559227,GGA,P1,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si,26.0,AB2CD7E2_aP26_1_2a_4a_2a_14a_4a:Al-H-Li-O-Si +mp-1097579,LiAlGa2,-1.729109765,1.1985629204,1.3784889335,1.3784889335,GGA,Immm,AB2C_oI8_71_a_e_b:Al-Ga-Li,4.0,AB2C_oI8_71_a_e_b:Al-Ga-Li +mp-1190535,Li2Al2Si4HO14,-7.3295974939,-2.7358306454,0.1558306176,0.1558306176,GGA,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Al-H-Li-O-Si,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Al-H-Li-O-Si +mp-1190556,Li2Al2Si4HO14,-7.3251207126,-2.7313538641,0.1603073989,0.1603073989,GGA,P1,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Al-H-Li-O-Si,23.0,A2BC2D14E4_aP23_1_2a_a_2a_14a_4a:Al-H-Li-O-Si +mp-1222668,Li2AlGa,-2.90812363,-0.2602442335,0.0,-0.0075197231,GGA,F-43m,ABC2_cF16_216_a_c_bd:Al-Ga-Li,4.0,ABC2_cF16_216_a_c_bd:Al-Ga-Li +mp-1222936,Li2AlGaSi2(H2O5)2,-6.6938307752,-2.4698335283,0.0140509293,0.0140509293,GGA,P2_1,ABC4D2E10F2_mP40_4_a_a_4a_2a_10a_2a:Al-Ga-H-Li-O-Si,40.0,ABC4D2E10F2_mP40_4_a_a_4a_2a_10a_2a:Al-Ga-H-Li-O-Si +mp-1191292,LiAlSi2HO7,-7.3002066596,-2.7564831779,0.094747486,0.094747486,GGA,P1,ABCD7E2_aP24_1_2a_2a_2a_14a_4a:Al-H-Li-O-Si,24.0,ABCD7E2_aP24_1_2a_2a_2a_14a_4a:Al-H-Li-O-Si +mp-1211121,Li2Al2Si3(HO3)4,-7.0692102091,-2.6989441136,0.016739358,0.016739358,GGA,Fdd2,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Li-O-Si,,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Li-O-Si +mp-1233826,MgCd4Cu4As4(HO5)4,-5.6124443376,-1.4819087215,0.0612018173,0.0612018173,GGA,P1,A4B4C4D4EF20_aP37_1_4a_4a_4a_4a_a_20a:As-Cd-Cu-H-Mg-O,37.0,A4B4C4D4EF20_aP37_1_4a_4a_4a_4a_a_20a:As-Cd-Cu-H-Mg-O +mp-1233851,MgCd4Cu4As4(HO5)4,-5.5887887959,-1.4582531799,0.0848573589,0.0848573589,GGA,Pm,A4B4C4D4EF20_mP37_6_2a2b_2a2b_2c_2a2b_a_6a6b4c:As-Cd-Cu-H-Mg-O,37.0,"Invalid WP multiplicities - A4B4C4D4EF20_mP37_6_2a2b_2a2b_4c_2a2b_a_6a6b8c:As-Cd-Cu-H-Mg-O, expected MgCd4Cu8As4(HO7)4 to be MgCd4Cu4As4(HO5)4" +mp-1234626,MgCd4Cu4As4(HO5)4,-5.5677196054,-1.4371839893,0.1059265495,0.1059265495,GGA,Pm,A4B4C4D4EF20_mP37_6_2a2b_2a2b_2c_2a2b_a_6a6b4c:As-Cd-Cu-H-Mg-O,37.0,"Invalid WP multiplicities - A4B4C4D4EF20_mP37_6_2a2b_2a2b_4c_2a2b_a_6a6b8c:As-Cd-Cu-H-Mg-O, expected MgCd4Cu8As4(HO7)4 to be MgCd4Cu4As4(HO5)4" +mp-1234648,MgCd4Cu4As4(HO5)4,-5.5766528792,-1.4461172631,0.0969932757,0.0969932757,GGA,Pm,A4B4C4D4EF20_mP37_6_2a2b_2a2b_2c_2a2b_a_6a6b4c:As-Cd-Cu-H-Mg-O,37.0,"Invalid WP multiplicities - A4B4C4D4EF20_mP37_6_2a2b_2a2b_4c_2a2b_a_6a6b8c:As-Cd-Cu-H-Mg-O, expected MgCd4Cu8As4(HO7)4 to be MgCd4Cu4As4(HO5)4" +mp-1195165,CdCuAsHO5,-5.6112060497,-1.4103855568,0.0418877314,0.0418877314,GGA,Pnma,ABCDE5_oP36_62_c_c_a_c_3cd:As-Cd-Cu-H-O,36.0,ABCDE5_oP36_62_c_c_a_c_3cd:As-Cd-Cu-H-O +mp-775101,Li8TiFe7(PO4)12,-7.5567076883,-2.4927904299,0.011769853,0.011769853,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Ti,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Ti +mp-1208517,Ti5FeSn3,-7.0207529133,-0.3567310402,0.0202675629,0.0202675629,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:Fe-Sn-Ti,18.0,AB3C5_hP18_193_b_g_dg:Fe-Sn-Ti +mp-1177305,Li8Ti7Fe9(PO4)24,-7.8109881083,-2.591742314,0.0357667136,0.0357667136,GGA+U,P1,A9B8C96D24E7_aP144_1_9a_8a_96a_24a_7a:Fe-Li-O-P-Ti,144.0,A9B8C96D24E7_aP144_1_9a_8a_96a_24a_7a:Fe-Li-O-P-Ti +mp-777579,Li8Fe7Sn(PO4)12,-7.4468193059,-2.4340325759,0.0114562274,0.0114562274,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Sn,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Sn +mp-743603,Li3Ti3Fe(PO4)6,-7.9664277349,-2.8560598978,0.0289390226,0.0289390226,GGA+U,P1,AB3C24D6E3_aP37_1_a_3a_24a_6a_3a:Fe-Li-O-P-Ti,37.0,AB3C24D6E3_aP37_1_a_3a_24a_6a_3a:Fe-Li-O-P-Ti +mp-726695,Li3Ti3Fe(PO4)6,-4.4098226411,0.7005451959,3.5855441164,3.5855441164,GGA+U,P1,AB3C24D6E3_aP74_1_2a_6a_48a_12a_6a:Fe-Li-O-P-Ti,74.0,AB3C24D6E3_aP74_1_2a_6a_48a_12a_6a:Fe-Li-O-P-Ti +mp-775125,Li8Fe3Sn(PO4)6,-7.11894632,-2.4548662598,0.1146828748,0.1146828748,GGA+U,R3,A3B8C24D6E_hR126_146_3a_2a2b_8b_2b_a:Fe-Li-O-P-Sn,42.0,"Invalid WP multiplicities - A3B8C24D6E_hR126_146_3a_2a4b_24b_2b_a:Fe-Li-O-P-Sn, expected Li14Fe3Sn(PO12)6 to be Li8Fe3Sn(PO4)6" +mp-694934,Li2TiFe(PO4)3,-7.7982775111,-2.7570390366,0.00062597,-0.0068276999,GGA+U,P2_1/c,AB2C12D3E_mP76_14_e_2e_12e_3e_e:Fe-Li-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_mP76_14_e_8e_48e_10e_e:Fe-Li-O-P-Ti, expected Li8TiFe(P5O24)2 to be Li2TiFe(PO4)3" +mp-1222972,Li2TiFe(PO4)3,-7.7989034811,-2.7576650066,0.0,-0.0074536699,GGA+U,Pna2_1,AB2C12D3E_oP76_33_a_2a_12a_3a_a:Fe-Li-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_oP76_33_a_7a_42a_8a_a:Fe-Li-O-P-Ti, expected Li7TiFe(P4O21)2 to be Li2TiFe(PO4)3" +mp-769380,Li2TiSn3(PO4)6,-7.5050333967,-2.6455223571,0.0069845684,0.0069845684,GGA,R3,A2B24C6D3E_hR108_146_2a_8b_2b_3a_a:Li-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6D3E_hR108_146_2a_20b_2b_3a_a:Li-O-P-Sn-Ti, expected Li2TiSn3(PO10)6 to be Li2TiSn3(PO4)6" +mp-777557,TiFe3Sn2(PO4)6,-7.8116893461,-2.463771472,0.0688816224,0.0688816224,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Fe-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_22b_3b_2a_a:Fe-O-P-Sn-Ti, expected TiFe3Sn2(P3O22)3 to be TiFe3Sn2(PO4)6" +mp-776144,Ti3FeSn2(PO4)6,-8.0923196703,-2.7763200847,0.0026635136,0.0026635136,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Fe-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_2b_2a_3a:Fe-O-P-Sn-Ti, expected Ti3FeSn2(PO11)6 to be Ti3FeSn2(PO4)6" +mp-778734,Li6Fe3Sn(PO4)6,-7.2811210805,-2.4792831606,0.0536617165,0.0536617165,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Sn,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Sn +mp-19963,TiFe2Sn,-7.480849065,-0.2695724921,0.0,-0.0570335637,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Fe-Sn-Ti,4.0,A2BC_cF16_225_c_a_b:Fe-Sn-Ti +mp-775897,Li4Ti3Fe2Sn3O16,-7.4624022164,-2.4824756135,0.0672146309,0.0672146309,GGA+U,Cm,A2B4C16D3E3_mC56_8_2a_4a_8a4b_ab_ab:Fe-Li-O-Sn-Ti,56.0,A2B4C16D3E3_aP56_1_4a_8a_32a_6a_6a:Fe-Li-O-Sn-Ti +mp-758142,Li6TiFe3(PO4)6,-7.4906921162,-2.5917061923,0.0547451872,0.0547451872,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Ti,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Ti +mp-775705,Li4Ti2Fe3Sn3O16,-7.3144176171,-2.3139721145,0.0534403073,0.0534403073,GGA+U,P1,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-Sn-Ti,28.0,A3B4C16D3E2_aP28_1_3a_4a_16a_3a_2a:Fe-Li-O-Sn-Ti +mp-774877,Li4Ti2Fe3Sn3O16,-7.2987185382,-2.2982730355,0.0691393862,0.0691393862,GGA+U,Cm,A3B4C16D3E2_mC56_8_ab_4a_8a4b_ab_2a:Fe-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D3E2_mC56_8_ab_4a_8a6b_ab_2a:Fe-Li-O-Sn-Ti, expected Li4Ti2Fe3Sn3O20 to be Li4Ti2Fe3Sn3O16" +mp-22589,TiFeSn,-6.3841824933,0.4075125339,0.7100512963000001,0.7100512963000001,GGA,F-43m,ABC_cF12_216_a_b_c:Fe-Sn-Ti,3.0,ABC_cF12_216_a_b_c:Fe-Sn-Ti +mp-1176997,Li6FeSn3(PO4)6,-7.0637045887,-2.4848891366,0.0711983357,0.0711983357,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-Sn,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-Sn +mp-1222491,LiTiSn(PO4)3,-7.7347639731,-2.7673107068,0.0074962238,0.0074962238,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Li-O-P-Sn-Ti,36.0,AB12C3DE_hR108_161_a_4b_b_a_a:Li-O-P-Sn-Ti +mp-760106,Li7TiFe3(PO4)6,-7.4204190976,-2.5943615409,0.0681206389,0.0681206389,GGA+U,R3,A3B7C24D6E_hR123_146_3a_a2b_8b_2b_a:Fe-Li-O-P-Ti,41.0,"Invalid WP multiplicities - A3B7C24D6E_hR123_146_3a_a3b_24b_2b_a:Fe-Li-O-P-Ti, expected Li10TiFe3(PO12)6 to be Li7TiFe3(PO4)6" +mp-1101366,Ti3Fe2Sn(PO4)6,-8.1607472683,-2.7208463118,0.0580803154,0.0580803154,GGA+U,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Fe-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Fe-O-P-Sn-Ti, expected Ti3Fe2Sn(PO11)6 to be Ti3Fe2Sn(PO4)6" +mp-772178,Li2FeSn(PO4)2,-7.1773124359,-2.4132014715,0.0629917194,0.0629917194,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Fe-Li-O-P-Sn,56.0,AB2C8D2E_mP28_11_e_ab_4e2f_2e_e:Fe-Li-O-P-Sn +mp-756308,Li4Ti3Fe3(SnO8)2,-7.6393087139,-2.5000803483,0.0225168766,0.0225168766,GGA+U,Cm,A3B4C16D2E3_mC56_8_ab_4a_8a4b_2a_ab:Fe-Li-O-Sn-Ti,28.0,"Invalid WP multiplicities - A3B4C16D2E3_mC56_8_ab_4a_8a6b_2a_ab:Fe-Li-O-Sn-Ti, expected Li4Ti3Fe3(SnO10)2 to be Li4Ti3Fe3(SnO8)2" +mp-772416,Li2Ti3Sn(PO4)6,-7.9703264497,-2.8949309567,0.0021759788,0.0021759788,GGA,R3,A2B24C6DE3_hR108_146_2a_8b_2b_a_3a:Li-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A2B24C6DE3_hR108_146_2a_22b_2b_a_3a:Li-O-P-Sn-Ti, expected Li2Ti3Sn(PO11)6 to be Li2Ti3Sn(PO4)6" +mp-1176962,Li6Ti3Fe(PO4)6,-7.6608101707,-2.7905507065,0.0768751524,0.0768751524,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-Ti,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-Ti +mp-2714376,Na2La2Al2SiS5O24,-7.1164197713,-2.5376333021,0.117096211,0.117096211,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-La-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-La-Na-O-S-Si +mp-2714147,Na2La4Al4SiS11O48,-7.1375212577,-2.4841111572,0.0938428672,0.0938428672,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-La-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-La-Na-O-S-Si +mp-2715096,Na10La4Al4Si5S7O48,-7.0383660911,-2.6604893983,0.1495991349,0.1495991349,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-La-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-La-Na-O-S-Si +mp-2716267,Na6La2Al2Si3(SO8)3,-7.0226174288,-2.705013669,0.1438657043,0.1438657043,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-La-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-La-Na-O-S-Si +mp-2713959,LaAl(SO4)3,-7.1791781106,-2.4467547535,0.049907577,0.049907577,GGA,P321,ABC12D3_hP102_150_3d_2cd_12g_ef2g:Al-La-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_5d_3cd_20g_ef4g:Al-La-O-S, expected La4Al5(SO4)15 to be LaAl(SO4)3" +mp-2713753,Na6La4Al4Si3(S3O16)3,-7.1053127828,-2.5971162351,0.124742583,0.124742583,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-La-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-La-Na-O-S-Si +mp-2715631,Na14La4Al4Si7S5O48,-6.9917351546,-2.7314641846,0.1514633166,0.1514633166,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-La-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-La-Na-O-S-Si +mp-2713643,Na2LaAlSi(SO6)2,-7.0726952755,-2.6313733902000003,0.137259258,0.137259258,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-La-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-La-Na-O-S-Si +mp-2714322,Na4LaAlSi2SO12,-6.9664148026,-2.7607464897,0.1356492273,0.1356492273,GGA,P1,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-La-Na-O-S-Si,126.0,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-La-Na-O-S-Si +mp-2716002,Na10Nb2Ga6Si7S5O48,-6.9187788272,-2.4611253293,0.1215614232,0.1215614232,GGA,P1,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:Ga-Na-Nb-O-S-Si,234.0,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:Ga-Na-Nb-O-S-Si +mp-2713490,Na10NbGa7Si6(SO8)6,-6.7167198137,-2.3662724335,0.1211027804,0.1211027804,GGA,P1,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:Ga-Na-Nb-O-S-Si,234.0,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:Ga-Na-Nb-O-S-Si +mp-2715594,Na2Nb6Ga2Si7S5O48,-7.8611848606,-2.6410476241,0.0493446119,0.0493446119,GGA,P1,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:Ga-Na-Nb-O-S-Si,210.0,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:Ga-Na-Nb-O-S-Si +mp-2713672,Na4NbGa3Si3(SO8)3,-6.9274363824,-2.4042383023,0.1079625208,0.1079625208,GGA,P1,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:Ga-Na-Nb-O-S-Si,114.0,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:Ga-Na-Nb-O-S-Si +mp-2713498,NbGaSi(SO6)2,-7.4001769194,-2.3303014276000003,0.0471638184,0.0471638184,GGA,Cc,ABC12D2E_mC204_9_3a_3a_36a_6a_3a:Ga-Nb-O-S-Si,102.0,"Invalid WP multiplicities - ABC12D2E_mC204_9_3a_3a_60a_9a_3a:Ga-Nb-O-S-Si, expected NbGaSiS3O20 to be NbGaSi(SO6)2" +mp-2714418,Na14Nb4Ga4Si11SO48,-7.2794565794,-2.7393472538,0.0666349755,0.0666349755,GGA,P1,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:Ga-Na-Nb-O-S-Si,246.0,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:Ga-Na-Nb-O-S-Si +mp-2715987,Na6Nb2Ga6Si5S7O48,-6.9343702293,-2.3420846167,0.0958202267,0.0958202267,GGA,P1,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:Ga-Na-Nb-O-S-Si,222.0,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:Ga-Na-Nb-O-S-Si +mp-2712722,Na2NbGaSi2SO12,-7.3256436989,-2.5823909562000003,0.1254493408,0.1254493408,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:Ga-Na-Nb-O-S-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:Ga-Na-Nb-O-S-Si, expected Na2NbGaSi12SO72 to be Na2NbGaSi2SO12" +mp-4139,Nb4GaS8,-7.1887184638,-1.3021865317,0.0334620138,0.0334620138,GGA,F-43m,AB4C8_cF52_216_a_e_2e:Ga-Nb-S,13.0,AB4C8_cF52_216_a_e_2e:Ga-Nb-S +mp-2713013,NbGa3SiS5O24,-6.9411814557,-2.1172494103,0.0449334179,0.0449334179,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Ga-Nb-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Ga-Nb-O-S-Si +mp-2714750,Na14Nb2Ga6Si9(SO16)3,-6.8861661882,-2.5500099646,0.1122213056,0.1122213056,GGA,P1,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:Ga-Na-Nb-O-S-Si,246.0,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:Ga-Na-Nb-O-S-Si +mp-2712620,Na2NbGa3Si2(SO6)4,-6.9487575716,-2.2835462301,0.0756754877,0.0756754877,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Ga-Na-Nb-O-S-Si,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Ga-Na-Nb-O-S-Si +mp-2716383,Na10Nb6Ga2Si11SO48,-7.7321579732,-2.8456800045,0.0658752915,0.0658752915,GGA,P1,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:Ga-Na-Nb-O-S-Si,234.0,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:Ga-Na-Nb-O-S-Si +mp-2716409,Na4NbGa(SiO4)3,-7.2519689105,-2.7731250599,0.0540052614,0.0540052614,GGA,R3c,AB4CD12E3_hR126_161_a_ab_a_4b_b:Ga-Na-Nb-O-Si,126.0,"Invalid WP multiplicities - AB4CD12E3_hR126_161_a_ab_a_12b_b:Ga-Na-Nb-O-Si, expected Na4NbGa(SiO12)3 to be Na4NbGa(SiO4)3" +mp-2714125,Na10Nb4Ga4Si9(SO16)3,-7.3099613167,-2.6378955834,0.1103012912,0.1103012912,GGA,P1,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:Ga-Na-Nb-O-S-Si,234.0,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:Ga-Na-Nb-O-S-Si +mp-2715251,Na6Nb3Ga(SiO4)6,-7.6994814979,-2.885991494,0.0451299719,0.0451299719,GGA,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Ga-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB6C3D24E6_aP40_1_a_12a_6a_48a_12a:Ga-Na-Nb-O-Si, expected Na12Nb6Ga(SiO4)12 to be Na6Nb3Ga(SiO4)6" +mp-2715283,Na6Nb3Ga(SiO4)6,-7.7026910466,-2.8892010428,0.0419204231,0.0419204231,GGA,P1,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:Ga-Na-Nb-O-Si,120.0,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:Ga-Na-Nb-O-Si +mp-2713840,Nb3GaSi3(SO8)3,-7.8772837447,-2.5614648064,0.0312828574,0.0312828574,GGA,P1,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:Ga-Nb-O-S-Si,102.0,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:Ga-Nb-O-S-Si +mp-2715698,Na2Nb3GaSi4(SO12)2,-7.838599279,-2.7088280942000003,0.0636698824,0.0636698824,GGA,P1,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:Ga-Na-Nb-O-S-Si,108.0,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:Ga-Na-Nb-O-S-Si +mp-2716476,Na2Nb2Ga6Si3(S3O16)3,-6.9526210582,-2.2103168035,0.0563732041,0.0563732041,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Ga-Na-Nb-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Ga-Na-Nb-O-S-Si +mp-2713337,Na10Nb7Ga(SiO4)12,-7.9467511534,-2.953067067,0.0340496306,0.0340496306,GGA,P1,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:Ga-Na-Nb-O-Si,234.0,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:Ga-Na-Nb-O-Si +mp-2716179,Na2Nb4Ga4Si5S7O48,-7.3943599293,-2.4131391836,0.0681215609,0.0681215609,GGA,P1,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:Ga-Na-Nb-O-S-Si,210.0,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:Ga-Na-Nb-O-S-Si +mp-2712952,Na6Nb4Ga4Si7S5O48,-7.3692031764,-2.5509154778000003,0.0879163929,0.0879163929,GGA,P1,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:Ga-Na-Nb-O-S-Si,222.0,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:Ga-Na-Nb-O-S-Si +mp-2714331,Na6NbGa3Si4(SO12)2,-6.8969996288,-2.501613484,0.1225295564,0.1225295564,GGA,P1,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:Ga-Na-Nb-O-S-Si,120.0,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:Ga-Na-Nb-O-S-Si +mp-2714622,Na6Nb3Ga5Si6(SO8)6,-7.1456047043,-2.4403180487,0.0980503084,0.0980503084,GGA,P1,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:Ga-Na-Nb-O-S-Si,222.0,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:Ga-Na-Nb-O-S-Si +mp-2713822,Na2Nb2Ga2Si3(SO8)3,-7.3734561804,-2.4759649172,0.0900247257,0.0900247257,GGA,P1,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Ga-Na-Nb-O-S-Si,108.0,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Ga-Na-Nb-O-S-Si +mp-2715730,Na8NbGa3Si5SO24,-6.8792027399,-2.5994559651,0.0873460389,0.0873460389,GGA,P1,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:Ga-Na-Nb-O-S-Si,126.0,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:Ga-Na-Nb-O-S-Si +mp-2714926,Na4Nb3GaSi5SO24,-7.7666544054,-2.8033470001,0.0751177425,0.0751177425,GGA,P1,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:Ga-Na-Nb-O-S-Si,114.0,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:Ga-Na-Nb-O-S-Si +mp-2714013,Na2Nb5Ga3Si6(SO8)6,-7.6285331576,-2.5278541665,0.0579723238,0.0579723238,GGA,P1,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:Ga-Na-Nb-O-S-Si,210.0,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:Ga-Na-Nb-O-S-Si +mp-2712861,Na14Nb5Ga3(SiO4)12,-7.4713856465,-2.8292997699,0.048557939,0.048557939,GGA,P1,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:Ga-Na-Nb-O-Si,246.0,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:Ga-Na-Nb-O-Si +mp-2713938,Na6Nb2Ga2Si5SO24,-7.2978059439,-2.6933678696000003,0.0904088632,0.0904088632,GGA,P1,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:Ga-Na-Nb-O-S-Si,120.0,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:Ga-Na-Nb-O-S-Si +mp-2713115,Na6Nb6Ga2Si9(SO16)3,-7.798633593,-2.7543438085,0.0854150896,0.0854150896,GGA,P1,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:Ga-Na-Nb-O-S-Si,222.0,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:Ga-Na-Nb-O-S-Si +mp-1191129,CsMg(BrO2)3,-4.2016312491,-0.8530040055,0.3286911426,0.3286911426,GGA,C2/c,A3BCD6_mC44_15_cf_e_d_3f:Br-Cs-Mg-O,22.0,A3BCD6_mC44_15_cf_e_d_3f:Br-Cs-Mg-O +mp-1180387,MgMn2(BrO2)6,-4.7668514886,-0.5476731481,0.4074559915,0.4074559915,GGA+U,C2/m,A6BC2D12_mC42_12_ij_a_i_2i2j:Br-Mg-Mn-O,21.0,A6BC2D12_mC42_12_ij_a_i_2i2j:Br-Mg-Mn-O +mp-600186,Cs2MnBr4,-4.2314804407,-1.7793471041000002,0.0,-0.0113751336,GGA,Pnma,A4B2C_oP28_62_2cd_2c_c:Br-Cs-Mn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_5c4d_5c_c:Br-Cs-Mn, expected Cs5MnBr13 to be Cs2MnBr4" +mp-23048,CsMnBr3,-4.563924619,-1.6206240882,0.0,-0.0075875585,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Mn,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Mn +mp-2226719,Cs2MgMnV2(BrO3)2,-6.6582592393,-2.1220377283,0.2962266659,0.2962266659,GGA+U,Cm,A2B2CDE6F2_mC28_8_2a_2a_a_a_4ab_2a:Br-Cs-Mg-Mn-O-V,14.0,"Invalid WP multiplicities - A2B2CDE6F2_mC28_8_2a_2a_a_a_4a2b_2a:Br-Cs-Mg-Mn-O-V, expected Cs2MgMnV2(BrO4)2 to be Cs2MgMnV2(BrO3)2" +mp-2228502,Cs2MgMnV2(BrO3)2,-6.5173940121000005,-1.9811725012,0.4370918931,0.4370918931,GGA+U,Cmm2,A2B2CDE6F2_oC28_35_ab_d_a_b_c2d_d:Br-Cs-Mg-Mn-O-V,14.0,"Invalid WP multiplicities - A2B2CDE6F2_oC28_35_ab_d_a_b_2c3d_d:Br-Cs-Mg-Mn-O-V, expected Cs2MgMnV2(BrO5)2 to be Cs2MgMnV2(BrO3)2" +mp-27332,Cs3MnBr5,-4.0290945783,-1.8498319052,0.0,-0.0003734289,GGA,I4/mcm,A5B3C_tI36_140_cl_ah_b:Br-Cs-Mn,18.0,"Invalid WP multiplicities - A5B3C_tI36_140_c2l_ah_b:Br-Cs-Mn, expected Cs3MnBr9 to be Cs3MnBr5" +mp-1102713,Cs2VBr5O4,-3.9596390142,-0.7574217384,0.8577510983000001,0.8577510983000001,GGA+U,C2/m,A5B2C4D_mC24_12_a2i_i_j_d:Br-Cs-O-V,12.0,A5B2C4D_mC24_12_a2i_i_j_c:Br-Cs-O-V +mp-1213628,CsMnBr3O2,-4.4883992139,-0.9727020601,0.6272769957000001,0.6272769957000001,GGA+U,Pcca,A3BCD2_oP28_54_df_e_c_f:Br-Cs-Mn-O,28.0,A3BCD2_oP28_54_df_e_c_f:Br-Cs-Mn-O +mp-572800,Cs2MnV2(BrO3)2,-7.0091179927,-2.2470548309,0.0136622462,0.0136622462,GGA+U,Cmm2,A2B2CD6E2_oC26_35_ab_d_a_c2d_d:Br-Cs-Mn-O-V,26.0,A2B2CD6E2_oC26_35_ab_d_a_c2d_d:Br-Cs-Mn-O-V +mp-2228222,MgVBr2O,-5.407641468,-1.6602551697,0.3406907808,0.3406907808,GGA+U,Cm,A2BCD_mC10_8_2a_a_a_a:Br-Mg-O-V,5.0,A2BCD_mC10_8_2a_a_a_a:Br-Mg-O-V +mp-2227446,MgVBr2O,-5.232197,-1.4848107017,0.5161352488000001,0.5161352488000001,GGA+U,Imm2,A2BCD_oI10_44_2a_b_a_b:Br-Mg-O-V,5.0,A2BCD_oI10_44_2a_b_a_b:Br-Mg-O-V +mp-2242023,MgVBr2O,-5.59561891,-1.8482326118,0.1527133388,0.1527133388,GGA+U,Immm,A2BCD_oI10_71_f_a_c_b:Br-Mg-O-V,5.0,A2BCD_oI10_71_f_a_c_b:Br-Mg-O-V +mp-29750,CsMgBr3,-3.463099323,-2.0321458406,0.0,-0.042377173,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-Mg,10.0,A3BC_hP10_194_h_c_a:Br-Cs-Mg +mp-23038,CsVBr3,-4.563302533,-1.6356238466000002,0.0,-0.038773235,GGA,P6_3/mmc,A3BC_hP10_194_h_c_a:Br-Cs-V,10.0,A3BC_hP10_194_h_c_a:Br-Cs-V +mp-2715659,Na14La4Ga4Si7S5O48,-6.8205160215,-2.5952440666000003,0.1380388576,0.1380388576,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ga-La-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ga-La-Na-O-S-Si +mp-1223148,La3Ga5SiO14,-7.5310510413,-2.9820309798,0.002892709,0.002892709,GGA,P3,A5B3C14D_hP23_143_acd_d_ab4d_b:Ga-La-O-Si,23.0,A5B3C14D_hP23_143_acd_d_ab4d_b:Ga-La-O-Si +mp-1222823,LaGaSi,-5.15805727,-0.6949168842,0.0,-0.0345876608,GGA,I4_1md,ABC_tI12_109_a_a_a:Ga-La-Si,6.0,ABC_tI12_109_a_a_a:Ga-La-Si +mp-2713608,Na2LaGaSi(SO6)2,-6.8794934654,-2.4759336752,0.1357362239,0.1357362239,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-La-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-La-Na-O-S-Si +mp-1225557,La4GaSi3,-5.5611493175,-0.6801395009,0.0042756631,0.0042756631,GGA,Pmm2,AB4C3_oP8_25_a_abcd_bcd:Ga-La-Si,8.0,AB4C3_oP8_25_a_abcd_bcd:Ga-La-Si +mp-2715577,Na2La2Ga2SiS5O24,-6.9026500678,-2.3637235879,0.1213829196,0.1213829196,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ga-La-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ga-La-Na-O-S-Si +mp-2716200,Na6La2Ga2Si3(SO8)3,-6.8406374615,-2.5589076921,0.1415179612,0.1415179612,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ga-La-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ga-La-Na-O-S-Si +mp-2714312,Na2La4Ga4SiS11O48,-6.9238331494,-2.3114218951,0.0847963777,0.0847963777,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ga-La-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ga-La-Na-O-S-Si +mp-1220861,NaLa6Ga3S14,-6.0322965425,-1.9517484539,0.0204787713,0.0204787713,GGA,P3,A3B6CD14_hP24_143_abc_2d_a_bc4d:Ga-La-Na-S,24.0,A3B6CD14_hP24_143_abc_2d_a_bc4d:Ga-La-Na-S +mp-1199865,NaLa(GaS2)4,-5.0142281416,-1.3383341828,0.0,-0.0394886336,GGA,Fddd,A4BCD8_oF224_70_2h_ab_e_4h:Ga-La-Na-S,56.0,A4BCD8_oF224_70_2h_ab_e_4h:Ga-La-Na-S +mp-2713944,Na6La4Ga4Si3(S3O16)3,-6.9071013279,-2.4376874724,0.1260063432,0.1260063432,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ga-La-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ga-La-Na-O-S-Si +mp-2715206,Na10La4Ga4Si5S7O48,-6.8578220056,-2.5167391492,0.1404465213,0.1404465213,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ga-La-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ga-La-Na-O-S-Si +mp-558297,Na2Ce2TiSi(CO6)2,-8.2068092855,-2.9243275623,0.0334343709,0.0334343709,GGA,P-1,A2B2C2D12EF_aP40_2_2i_2i_bci_12i_i_i:C-Ce-Na-O-Si-Ti,40.0,"Invalid WP multiplicities - A2B2C2D12EF_aP40_2_2i_3i_bc2i_24i_i_i:C-Ce-Na-O-Si-Ti, expected Na3Ce3TiSi(CO12)2 to be Na2Ce2TiSi(CO6)2" +mp-1211173,Na3Ce4Ti2(SiO12)2,-7.3480937054,-2.4034628008,0.3932899233,0.3932899233,GGA,P1,A4B3C24D2E2_aP35_1_4a_3a_24a_2a_2a:Ce-Na-O-Si-Ti,35.0,A4B3C24D2E2_aP35_1_4a_3a_24a_2a_2a:Ce-Na-O-Si-Ti +mp-2217307,Ba2MgZnWO6,-6.6951451164,-2.2100327493,0.4781551164,0.4781551164,GGA+U,Cm,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-W-Zn,11.0,A2BC6DE_mC22_8_2a_a_2a2b_a_a:Ba-Mg-O-W-Zn +mp-2217632,Ba2MgZnWO6,-6.8184989209,-2.3333865539,0.3548013118,0.3548013118,GGA+U,Immm,A2BC6DE_oI22_71_f_c_el_a_b:Ba-Mg-O-W-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_oI22_71_f_c_2e2l_a_b:Ba-Mg-O-W-Zn, expected Ba2MgZnWO12 to be Ba2MgZnWO6" +mp-2242187,Ba2MgZnWO6,-6.8879216755,-2.4028093084,0.2853785573,0.2853785573,GGA+U,R3m,A2BC6DE_hR33_160_2a_a_2b_a_a:Ba-Mg-O-W-Zn,11.0,"Invalid WP multiplicities - A2BC6DE_mC22_8_2a_a_2a4b_a_a:Ba-Mg-O-W-Zn, expected Ba2MgZnWO10 to be Ba2MgZnWO6" +mp-2230018,Ba2La2MgZn(WO6)2,-7.838868196,-2.7465425587,0.2283226023,0.2283226023,GGA+U,R-3m,A2B2CD12E2F_hR60_166_c_c_a_2h_c_b:Ba-La-Mg-O-W-Zn,20.0,"Invalid WP multiplicities - A2B2CD12E2F_hR60_166_c_c_a_3h_c_b:Ba-La-Mg-O-W-Zn, expected Ba2La2MgZn(WO9)2 to be Ba2La2MgZn(WO6)2" +mp-2713438,Na5La3ZrSi3(SO8)3,-7.376380459,-2.8283245315,0.1189299094,0.1189299094,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Zr +mp-1198687,La2ZrS5,-7.1808186362,-2.2930731145,0.0,-0.040742335,GGA,Pnma,A2B5C_oP32_62_d_3cd_c:La-S-Zr,32.0,A2B5C_oP32_62_d_3cd_c:La-S-Zr +mp-2716448,Na2La4Zr4Si3(S3O16)3,-7.6988865711,-2.7342445345,0.0710588972,0.0710588972,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Zr,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Zr +mp-2714917,Na3LaZr3Si3(SO8)3,-7.7855453908,-2.867909779,0.1073400388,0.1073400388,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Zr,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Zr +mp-2713106,La2Zr2SiS5O24,-7.752578346,-2.6997691723,0.0235987415,0.0235987415,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Zr,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Zr +mp-2712741,NaLaZrSi(SO6)2,-7.6400652308,-2.7586921571,0.1239948194,0.1239948194,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:La-Na-O-S-Si-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:La-Na-O-S-Si-Zr, expected NaLaZrSiS3O20 to be NaLaZrSi(SO6)2" +mp-2713647,Na4La2Zr2Si3(SO8)3,-7.5540670747,-2.8260841957,0.1347995735,0.1347995735,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Zr,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Zr +mp-2715173,Na14La4Zr4Si9(SO16)3,-7.4722548466,-2.9462980776,0.081476571,0.081476571,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Zr,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Zr +mp-2714505,Na3LaZrSi2SO12,-7.4957722013,-2.9058404975,0.1100675968,0.1100675968,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:La-Na-O-S-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:La-Na-O-S-Si-Zr, expected Na13LaZrSi7SO72 to be Na3LaZrSi2SO12" +mp-2716065,Na10La4Zr4Si7S5O48,-7.5223289803,-2.8651415757,0.1318330208,0.1318330208,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Zr,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Zr +mp-2715581,Na8La2Zr2Si5SO24,-7.4390148398,-2.9739865801,0.0628484024,0.0628484024,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Zr,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Zr +mp-2715851,Na6La4Zr4Si5S7O48,-7.6249847017,-2.8223795657,0.1004625205,0.1004625205,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Zr,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Zr +mp-1032937,YMg6FeO8,-6.7298323344,-2.7228521898,0.2808882953,0.2808882953,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Fe-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Fe-Mg-O-Y, expected YMg6FeO12 to be YMg6FeO8" +mp-1033030,YMg6FeO8,-6.7623715544,-2.7553914098,0.2483490753,0.2483490753,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Fe-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Fe-Mg-O-Y, expected YMg6FeO12 to be YMg6FeO8" +mp-1037800,YMg30FeO32,-6.4287056911,-2.9718473695,0.0696179763,0.0696179763,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Fe-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Fe-Mg-O-Y, expected YMg90FeO80 to be YMg30FeO32" +mp-1037801,YMg30FeO32,-6.4287714223,-2.9719131007,0.0695522451,0.0695522451,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Fe-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Fe-Mg-O-Y, expected YMg110FeO72 to be YMg30FeO32" +mp-1387378,Sr2YTlFe2O7,-7.3110536862,-2.4052871811,0.0963657819,0.0963657819,GGA+U,P4/mmm,A2B7C2DE_tP13_123_h_ahi_g_c_b:Fe-O-Sr-Tl-Y,13.0,A2B7C2DE_tP13_123_h_ahi_g_c_b:Fe-O-Sr-Tl-Y +mp-1036118,YMg14FeO16,-6.5307780912,-2.8905458286,0.1383445636,0.1383445636,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Fe-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Fe-Mg-O-Y, expected YMg18FeO20 to be YMg14FeO16" +mp-1036060,YMg14FeO16,-6.5296909516,-2.889458689,0.1394317033,0.1394317033,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Fe-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Fe-Mg-O-Y, expected YMg30FeO32 to be YMg14FeO16" +mp-2228484,Sr2YMgTlFe2O7,-6.7443483707,-2.074688041,0.4947451329,0.4947451329,GGA+U,P4/mmm,A2BC7D2EF_tP14_123_g_a_dgi_h_b_c:Fe-Mg-O-Sr-Tl-Y,14.0,A2BC7D2EF_tP14_123_g_a_dgi_h_b_c:Fe-Mg-O-Sr-Tl-Y +mp-2217559,Y2Mg(FeO3)2,-8.2386728318,-2.6792731078000003,0.2202832562,0.2202832562,GGA+U,Cm,A2BC6D2_mC22_8_2a_a_6a_2a:Fe-Mg-O-Y,11.0,A2BC6D2_mC22_8_2a_a_6a_2a:Fe-Mg-O-Y +mp-771187,Li6Fe3Ni(PO4)6,-7.2575098333,-2.4114077928,0.0552808973,0.0552808973,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Fe-Li-Ni-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Fe-Li-Ni-O-P +mp-753100,Li4Ni3Sn(PO4)4,-6.9787560386,-2.3435452254,0.048882062,0.048882062,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Ni-O-P-Sn,56.0,"Invalid WP multiplicities - A4B3C16D4E_mP28_6_2c_2a2b_4a4b4c_2a2b_a:Li-Ni-O-P-Sn, expected Li4Ni4Sn(PO4)4 to be Li4Ni3Sn(PO4)4" +mp-766022,Li4FeNi3(PO4)4,-7.1859526018,-2.391440026,0.0033572587,0.0033572587,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Fe-Li-Ni-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Fe-Li-Ni-O-P +mp-776686,Li5Fe3Ni2(PO4)6,-7.3162239987,-2.3733416129,0.0590556561,0.0590556561,GGA+U,P1,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Fe-Li-Ni-O-P,40.0,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Fe-Li-Ni-O-P +mp-1223005,Li3FeNi2(PO4)3,-7.2272976762,-2.4007626655,0.0036052748,0.0036052748,GGA+U,Pm,AB3C2D12E3_mP84_6_4a_6c_2a6b_12a12b12c_6a6b:Fe-Li-Ni-O-P,84.0,"Invalid WP multiplicities - AB3C2D12E3_mP84_6_4a_12c_2a6b_12a12b24c_6a6b:Fe-Li-Ni-O-P, expected Li6FeNi2(PO6)3 to be Li3FeNi2(PO4)3" +mp-1176956,Li6Ni3Sn(PO4)6,-6.939957512,-2.3398609319,0.0875499787,0.0875499787,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Sn,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-Sn +mp-758677,Li4Ni5Sn(PO4)6,-7.0702474783,-2.2765902075,0.0852009398,0.0852009398,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Sn,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Sn +mp-774281,Li4Fe3Ni2Sn3O16,-6.5997750429,-1.7504263499,0.0726120016,0.0726120016,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Ni-O-Sn, expected Li4Fe3Ni2Sn3O20 to be Li4Fe3Ni2Sn3O16" +mp-776070,Li4NiSn3(PO4)4,-6.8778613557,-2.3691194586,0.0759917682,0.0759917682,GGA+U,Pm,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Ni-O-P-Sn,28.0,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Ni-O-P-Sn +mp-760788,Li4Fe5Ni(PO4)6,-7.5289132498,-2.3547562921000003,0.0623980832,0.0623980832,GGA+U,P1,A5B4CD24E6_aP40_1_5a_4a_a_24a_6a:Fe-Li-Ni-O-P,40.0,A5B4CD24E6_aP40_1_5a_4a_a_24a_6a:Fe-Li-Ni-O-P +mp-775193,Li7Fe3Ni(PO4)6,-7.2347232576,-2.4602597335,0.0474766287,0.0474766287,GGA+U,R3,A3B7CD24E6_hR123_146_3a_a2b_a_8b_2b:Fe-Li-Ni-O-P,41.0,"Invalid WP multiplicities - A3B7CD24E6_hR123_146_3a_a4b_a_24b_2b:Fe-Li-Ni-O-P, expected Li13Fe3Ni(PO12)6 to be Li7Fe3Ni(PO4)6" +mp-780843,Li4Fe2Ni3Sn(PO4)6,-7.2488706877,-2.3207191905,0.0822383125,0.0822383125,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Sn,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Sn +mp-776880,Li2Fe2Ni(PO4)3,-7.4396011765,-2.3326913321,0.0643646664,0.0643646664,GGA+U,C2,A2B2CD12E3_mC80_5_2c_abc_c_12c_ab2c:Fe-Li-Ni-O-P,40.0,"Invalid WP multiplicities - A2B2CD12E3_mC80_5_2c_abc_c_22c_ab2c:Fe-Li-Ni-O-P, expected Li2Fe2NiP3O22 to be Li2Fe2Ni(PO4)3" +mp-775337,Li4Fe2Ni3Sn3O16,-6.4386692132,-1.6853878249,0.0717657446,0.0717657446,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Sn,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Sn +mp-771063,Li4Fe3Ni(PO4)4,-7.4359028,-2.4492556149,0.0029656035,0.0029656035,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Fe-Li-Ni-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Fe-Li-Ni-O-P +mp-776178,Fe3NiSn2(PO4)6,-7.5709999561,-2.2818419525,0.0819312961,0.0819312961,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Ni-O-P-Sn,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_22b_3b_2a:Fe-Ni-O-P-Sn, expected Fe3NiSn2(P3O22)3 to be Fe3NiSn2(PO4)6" +mp-770823,Li2NiSn(PO4)2,-6.9119773921,-2.340001037,0.0787682201,0.0787682201,GGA+U,P2_1/m,A2BC8D2E_mP28_11_ad_e_4e2f_2e_e:Li-Ni-O-P-Sn,28.0,"Invalid WP multiplicities - A2BC8D2E_mP28_11_ab_e_7e4f_3e_e:Li-Ni-O-P-Sn, expected Li2NiSn(PO5)3 to be Li2NiSn(PO4)2" +mp-770658,Li2NiSn3(PO4)6,-7.1788811969,-2.3781300278,0.0500725745,0.0500725745,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Li-Ni-O-P-Sn,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Li-Ni-O-P-Sn, expected Li2NiSn3(PO10)6 to be Li2NiSn3(PO4)6" +mp-775990,Fe3Ni2Sn(PO4)6,-7.6008577411,-2.2625173813,0.0281293109,0.0281293109,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-Sn,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Ni-O-P-Sn, expected Fe3Ni2Sn(PO11)6 to be Fe3Ni2Sn(PO4)6" +mp-849278,FeNi3Sn2(PO4)6,-7.3427515778,-2.2030316036,0.0901314094,0.0901314094,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Fe-Ni-O-P-Sn,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_3b_2a:Fe-Ni-O-P-Sn, expected FeNi3Sn2(P3O22)3 to be FeNi3Sn2(PO4)6" +mp-1177019,Li7FeNi3(PO4)6,-6.9844115598,-2.3411619152,0.08609327,0.08609327,GGA+U,R3,AB7C3D24E6_hR123_146_a_a2b_3a_8b_2b:Fe-Li-Ni-O-P,41.0,"Invalid WP multiplicities - AB7C3D24E6_hR123_146_a_a2b_3a_18b_2b:Fe-Li-Ni-O-P, expected Li7FeNi3(PO9)6 to be Li7FeNi3(PO4)6" +mp-780776,Li8Fe7Ni(PO4)12,-7.4057663622,-2.3696827267,0.0291349689,0.0291349689,GGA+U,P1,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Ni-O-P,76.0,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Ni-O-P +mp-774855,Li4Fe3Ni3(SnO8)2,-6.5705949432,-1.6580117923,0.0289386097,0.0289386097,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-Sn,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Ni-O-Sn +mp-766569,Li4FeNi5(PO4)6,-7.1342968715,-2.2291283668,0.0859736198,0.0859736198,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Fe-Li-Ni-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Fe-Li-Ni-O-P +mp-1224846,FeNiSn,-5.86719017,0.2193864117,0.3798103946,0.3798103946,GGA,P-6m2,ABC_hP3_187_a_c_f:Fe-Ni-Sn,3.0,ABC_hP3_187_a_c_f:Fe-Ni-Sn +mp-1025011,FeNiSn,-6.0711369717,0.01543961,0.175863593,0.175863593,GGA,P6_3/mmc,ABC_hP6_194_a_c_d:Fe-Ni-Sn,6.0,ABC_hP6_194_a_c_d:Fe-Ni-Sn +mp-1207152,FeNiSn,-5.933130055,0.1534465267,0.3138705096,0.3138705096,GGA,P6_3/mmc,ABC_hP6_194_c_a_d:Fe-Ni-Sn,6.0,ABC_hP6_194_c_a_d:Fe-Ni-Sn +mp-756268,Li2FeNi(PO4)2,-7.3117235221,-2.4211436417,0.0023656098,0.0023656098,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Fe-Li-Ni-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Fe-Li-Ni-O-P +mp-1209473,RbNa3Fe7(PO4)6,-7.6331657877,-2.3785657259,0.0,-0.0080726586,GGA+U,C2/c,A7B3C24D6E_mC164_15_c2e2f_df_12f_3f_e:Fe-Na-O-P-Rb,82.0,A7B3C24D6E_mC164_15_c2e2f_df_12f_3f_e:Fe-Na-O-P-Rb +mp-1195661,RbNa2Fe3P4ClO14,-7.3116280812,-2.4399866039,0.0,-0.0092466684,GGA+U,C2/c,AB3C2D14E4F_mC100_15_e_ef_f_7f_2f_a:Cl-Fe-Na-O-P-Rb,50.0,AB3C2D14E4F_mC100_15_e_ef_f_7f_2f_a:Cl-Fe-Na-O-P-Rb +mp-1200140,Si4Te2H44Pd(C8Cl)2,-5.0595750507,-0.2218441391,0.0914756051,0.0914756051,GGA,C2/c,A16B2C44DE4F2_mC276_15_8f_f_22f_c_2f_f:C-Cl-H-Pd-Si-Te,138.0,A16B2C44DE4F2_mC276_15_8f_f_22f_a_2f_f:C-Cl-H-Pd-Si-Te +mp-1204279,Si2TeH22Pd(C4Cl)2,-5.0153925782,-0.2559427445,0.1130237261,0.1130237261,GGA,P-1,A8B2C22DE2F_aP288_2_32i_8i_88i_4i_8i_4i:C-Cl-H-Pd-Si-Te,288.0,A8B2C22DE2F_aP288_2_32i_8i_88i_4i_8i_4i:C-Cl-H-Pd-Si-Te +mp-2241473,Ba2YMgTlCu2O7,-6.1452065314,-2.0671652094,0.3048847019,0.3048847019,GGA,Pmm2,A2B2CD7EF_oP14_25_2b_2c_a_2ab2c2d_c_b:Ba-Cu-Mg-O-Tl-Y,14.0,A2B2CD7EF_oP14_25_2b_2c_a_2ab2c2d_c_b:Ba-Cu-Mg-O-Tl-Y +mp-1356115,Ba6YTl3(Cu2O7)3,-5.8996976943,-1.7498611227,0.1485671642,0.1485671642,GGA,Pm,A6B6C21D3E_mP37_6_3c_3c_3a9c_3a_b:Ba-Cu-O-Tl-Y,37.0,"Invalid WP multiplicities - A6B6C21D3E_mP37_6_6c_6c_3a18c_3a_b:Ba-Cu-O-Tl-Y, expected Ba12YTl3(Cu4O13)3 to be Ba6YTl3(Cu2O7)3" +mp-1046126,Ba2Mg2Tl2Cu3O10,-5.6466525142,-1.7767418092,0.1137105962,0.1137105962,GGA,P1,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Cu-Mg-O-Tl,19.0,A2B3C2D10E2_aP19_1_2a_3a_2a_10a_2a:Ba-Cu-Mg-O-Tl +mp-1813048,Ba2Mg3Tl2(CuO3)4,-5.6339424348,-1.7591090636,0.1501752182,0.1501752182,GGA,I4/mmm,A2B4C3D12E2_tI46_139_e_2e_ae_2e2g_e:Ba-Cu-Mg-O-Tl,23.0,"Invalid WP multiplicities - A2B4C3D12E2_tI46_139_e_3e_ae_4e6g_e:Ba-Cu-Mg-O-Tl, expected Ba2Mg3Tl2(Cu3O16)2 to be Ba2Mg3Tl2(CuO3)4" +mp-654374,Ba2YTlCu2O7,-6.4854791923,-2.2168408493,0.0,-0.0017228917,GGA,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Cu-O-Tl-Y,13.0,"Invalid WP multiplicities - A2B2C7DE_tP13_123_g_h_a2h2i_c_b:Ba-Cu-O-Tl-Y, expected Ba2YTlCu2O13 to be Ba2YTlCu2O7" +mp-2218239,Ba2MgTl2CuO6,-5.4908054492,-1.8289008524,0.1846380232,0.1846380232,GGA,C2,A2BCD6E2_mC24_5_c_a_b_3c_c:Ba-Cu-Mg-O-Tl,12.0,A2BCD6E2_mC24_5_c_a_b_3c_c:Ba-Cu-Mg-O-Tl +mp-1217055,TiAlFeO5,-8.4887186088,-2.8831520321,0.0350206597,0.0350206597,GGA+U,Cmc2_1,ABC5D_oC32_36_a_a_5a_a:Al-Fe-O-Ti,16.0,"Invalid WP multiplicities - ABC5D_oC32_36_a_a_7a_a:Al-Fe-O-Ti, expected TiAlFeO7 to be TiAlFeO5" +mp-2715188,Na7NbGa3Si3(PO8)3,-7.0470823433,-2.6646515911,0.0616408856,0.0616408856,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Ga-Na-Nb-O-P-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Ga-Na-Nb-O-P-Si +mp-2716418,Na6Nb3Ga5(PO4)12,-7.4933533599,-2.6855123435,0.0136251576,0.0136251576,GGA,P1,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:Ga-Na-Nb-O-P,222.0,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:Ga-Na-Nb-O-P +mp-2712547,Na2NbGaSi(PO6)2,-7.5530893878,-2.7432662706,0.0532762855,0.0532762855,GGA,Cc,AB2CD12E2F_mC228_9_3a_6a_3a_36a_6a_3a:Ga-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12E2F_mC228_9_3a_6a_3a_72a_10a_3a:Ga-Na-Nb-O-P-Si, expected Na6Nb3Ga3Si3(P5O36)2 to be Na2NbGaSi(PO6)2" +mp-2715546,NaNb3GaSiP5O24,-8.1595138111,-2.8490310663,0.011480377,0.011480377,GGA,P1,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:Ga-Na-Nb-O-P-Si,105.0,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:Ga-Na-Nb-O-P-Si +mp-2713251,Na4NbGa3(PO4)6,-7.2646117017,-2.6415580598,0.0196632775,0.0196632775,GGA,P1,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:Ga-Na-Nb-O-P,114.0,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:Ga-Na-Nb-O-P +mp-2714046,Na5NbGa3SiP5O24,-7.187829642,-2.6490968418,0.0412181854,0.0412181854,GGA,P1,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:Ga-Na-Nb-O-P-Si,117.0,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:Ga-Na-Nb-O-P-Si +mp-2714318,Na5Nb2Ga2Si3(PO8)3,-7.4705886583,-2.7498753436000003,0.0656679276,0.0656679276,GGA,P1,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:Ga-Na-Nb-O-P-Si,117.0,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:Ga-Na-Nb-O-P-Si +mp-2715733,Na2Nb3GaSi2(PO6)4,-8.0688648327,-2.8688249192,0.0192116672,0.0192116672,GGA,P1,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:Ga-Na-Nb-O-P-Si,108.0,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:Ga-Na-Nb-O-P-Si +mp-2716516,Na5Nb3GaSi5PO24,-7.7870424731,-2.8843486439,0.0496554509,0.0496554509,GGA,P1,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:Ga-Na-Nb-O-P-Si,117.0,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:Ga-Na-Nb-O-P-Si +mp-2714005,Nb3Ga(PO4)6,-8.2359372342,-2.8085150209,0.0,-0.0162465451,GGA,P3,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:Ga-Nb-O-P,102.0,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:Ga-Nb-O-P +mp-2715484,Na6NbGa3Si2(PO6)4,-7.1151832403,-2.6565552396000003,0.0549915143,0.0549915143,GGA,P1,A3B6CD24E4F2_aP40_1_3a_6a_a_24a_4a_2a:Ga-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - A3B6CD24E4F2_aP40_1_6a_12a_a_48a_8a_4a:Ga-Na-Nb-O-P-Si, expected Na12NbGa6Si4(PO6)8 to be Na6NbGa3Si2(PO6)4" +mp-2715354,Na6NbGa3Si2(PO6)4,-7.1152154237,-2.656587423,0.0549593309,0.0549593309,GGA,P1,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:Ga-Na-Nb-O-P-Si,120.0,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:Ga-Na-Nb-O-P-Si +mp-2712994,Na3Nb2Ga2SiP5O24,-7.6446951027,-2.7409454368,0.0326487805,0.0326487805,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Ga-Na-Nb-O-P-Si,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Ga-Na-Nb-O-P-Si +mp-2716241,Na8NbGa3Si4(PO12)2,-6.9826424093,-2.672780465,0.0644432542,0.0644432542,GGA,P1,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:Ga-Na-Nb-O-P-Si,126.0,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:Ga-Na-Nb-O-P-Si +mp-2713768,NaNbGa(PO4)3,-7.7366706439,-2.7337762877,0.004162155,0.004162155,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Ga-Na-Nb-O-P,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Ga-Na-Nb-O-P, expected NaNbGa(PO12)3 to be NaNbGa(PO4)3" +mp-2713924,Na2Nb5Ga3(PO4)12,-7.9842656237,-2.7751720227,0.0,-0.001488082,GGA,P1,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:Ga-Na-Nb-O-P,210.0,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:Ga-Na-Nb-O-P +mp-2712959,Na3Nb3GaSi3(PO8)3,-7.9695007477,-2.8739337828,0.0345783307,0.0345783307,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Na-Nb-O-P-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Na-Nb-O-P-Si +mp-2714976,Na4Nb3GaSi4(PO12)2,-7.8743006442,-2.8777080516,0.0468358045,0.0468358045,GGA,P1,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:Ga-Na-Nb-O-P-Si,114.0,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:Ga-Na-Nb-O-P-Si +mp-2714371,Na7Nb2Ga2Si5PO24,-7.3215997424,-2.7660655739,0.065742412,0.065742412,GGA,P1,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:Ga-Na-Nb-O-P-Si,123.0,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:Ga-Na-Nb-O-P-Si +mp-2715248,Na3NbGaSi2PO12,-7.3950987221,-2.7590397199,0.0685121707,0.0685121707,GGA,Cc,AB3CD12EF2_mC240_9_3a_9a_3a_36a_3a_6a:Ga-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - AB3CD12EF2_mC240_9_10a_30a_10a_132a_10a_22a:Ga-Na-Nb-O-P-Si, expected Na15Nb5Ga5Si11P5O66 to be Na3NbGaSi2PO12" +mp-2715500,Na3NbGaSi2PO12,-7.395559118099999,-2.7595001159,0.0680517747,0.0680517747,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:Ga-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:Ga-Na-Nb-O-P-Si, expected Na13NbGaSi12PO72 to be Na3NbGaSi2PO12" +mp-2716293,Na10NbGa7(PO4)12,-7.0470485986,-2.5993060557,0.0250832496,0.0250832496,GGA,P1,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:Ga-Na-Nb-O-P,234.0,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:Ga-Na-Nb-O-P +mp-753836,Li4Ti3Ni2Sn3O16,-7.2113903646,-2.423598371,0.0832197189,0.0832197189,GGA+U,Cm,A4B2C16D3E3_mC56_8_4a_2a_8a4b_ab_ab:Li-Ni-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B2C16D3E3_mC56_8_4a_2a_8a6b_ab_ab:Li-Ni-O-Sn-Ti, expected Li4Ti3Ni2Sn3O20 to be Li4Ti3Ni2Sn3O16" +mp-753972,Li4Ti2Ni3Sn3O16,-6.8813372239,-2.1690936352,0.0498115467,0.0498115467,GGA+U,Cm,A4B3C16D3E2_mC56_8_4a_ab_8a4b_ab_2a:Li-Ni-O-Sn-Ti,28.0,"Invalid WP multiplicities - A4B3C16D3E2_mC56_8_4a_ab_8a6b_ab_2a:Li-Ni-O-Sn-Ti, expected Li4Ti2Ni3Sn3O20 to be Li4Ti2Ni3Sn3O16" +mp-851029,Li4Ti3Ni3(SnO8)2,-7.193386375,-2.3423599233,0.03230155,0.03230155,GGA+U,P1,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Sn-Ti,28.0,A4B3C16D2E3_aP28_1_4a_3a_16a_2a_3a:Li-Ni-O-Sn-Ti +mp-777890,Ti3NiSn2(PO4)6,-7.9915181631,-2.7502375922,0.0018960064,0.0018960064,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Ni-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_22b_3b_2a_3a:Ni-O-P-Sn-Ti, expected Ti3NiSn2(P3O22)3 to be Ti3NiSn2(PO4)6" +mp-777082,TiNi3Sn2(PO4)6,-7.5025077753,-2.3787469454,0.0865451701,0.0865451701,GGA+U,R3,A3B24C6D2E_hR108_146_3a_8b_2b_2a_a:Ni-O-P-Sn-Ti,36.0,"Invalid WP multiplicities - A3B24C6D2E_hR108_146_3a_22b_3b_2a_a:Ni-O-P-Sn-Ti, expected TiNi3Sn2(P3O22)3 to be TiNi3Sn2(PO4)6" +mp-2715301,Na9Mg4Nb2(PO4)9,-7.2281370214,-2.80635412,0.0136935703,0.0136935703,GGA,P1,A4B9C2D36E9_aP360_1_24a_54a_12a_216a_54a:Mg-Na-Nb-O-P,360.0,A4B9C2D36E9_aP360_1_24a_54a_12a_216a_54a:Mg-Na-Nb-O-P +mp-2715336,Na9Mg4Nb2(PO4)9,-7.2228014259,-2.8010185245,0.0190291658,0.0190291658,GGA,P1,A4B9C2D36E9_aP120_1_8a_18a_4a_72a_18a:Mg-Na-Nb-O-P,240.0,A4B9C2D36E9_aP120_1_16a_36a_8a_144a_36a:Mg-Na-Nb-O-P +mp-2714768,Na9Mg5Nb7(PO4)18,-7.7409045532,-2.8380730622,0.0166752875,0.0166752875,GGA,P1,A5B9C7D72E18_aP111_1_5a_9a_7a_72a_18a:Mg-Na-Nb-O-P,111.0,A5B9C7D72E18_aP111_1_5a_9a_7a_72a_18a:Mg-Na-Nb-O-P +mp-2713814,NaMgNb3(PO4)6,-8.1416090225,-2.8722643204,0.0037239787,0.0037239787,GGA,P3,ABC3D24E6_hP105_143_2ab_2ab_2a3b4c_24d_6d:Mg-Na-Nb-O-P,105.0,ABC3D24E6_hP105_143_2ab_2ab_2a3b4c_24d_6d:Mg-Na-Nb-O-P +mp-2715130,Na6MgNb5Si6(PO12)3,-7.9793379395,-2.9457490567,0.0382345535,0.0382345535,GGA,Cc,AB6C5D36E3F6_mC228_9_a_6a_5a_36a_3a_6a:Mg-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB6C5D36E3F6_mC228_9_a_8a_5a_72a_4a_11a:Mg-Na-Nb-O-P-Si, expected Na8MgNb5Si11(PO18)4 to be Na6MgNb5Si6(PO12)3" +mp-2716510,Na15Mg2Nb10Si15(PO24)3,-7.8851698375,-2.9464283411,0.0439251147,0.0439251147,GGA,P1,A2B15C10D72E3F15_aP117_1_2a_15a_10a_72a_3a_15a:Mg-Na-Nb-O-P-Si,117.0,A2B15C10D72E3F15_aP117_1_2a_15a_10a_72a_3a_15a:Mg-Na-Nb-O-P-Si +mp-2713109,Na9Mg4Nb8Si3(P5O24)3,-7.8494342205,-2.8696921749,0.0285770779,0.0285770779,GGA,P1,A4B9C8D72E15F3_aP111_1_4a_9a_8a_72a_15a_3a:Mg-Na-Nb-O-P-Si,111.0,A4B9C8D72E15F3_aP111_1_4a_9a_8a_72a_15a_3a:Mg-Na-Nb-O-P-Si +mp-2715219,Na12Mg5Nb(PO4)9,-6.9187024179000005,-2.7794401166,0.0145137053,0.0145137053,GGA,P3c1,A5B12CD36E9_hP126_158_a2b2c_abc3d_a_12d_3d:Mg-Na-Nb-O-P,126.0,A5B12CD36E9_hP126_158_a2b2c_abc3d_a_12d_3d:Mg-Na-Nb-O-P +mp-2713556,Na2MgNb(PO4)3,-7.5545483249,-2.8205058127,0.0223856891,0.0223856891,GGA,Cc,AB2CD12E3_mC76_9_a_2a_a_12a_3a:Mg-Na-Nb-O-P,114.0,"Invalid WP multiplicities - AB2CD12E3_mC76_9_a_2a_a_72a_18a:Mg-Na-Nb-O-P, expected Na2MgNb(PO4)18 to be Na2MgNb(PO4)3" +mp-2712711,Na6Mg2Nb4Si3(PO6)6,-7.759803237,-2.8759875395,0.04194913,0.04194913,GGA,Cc,A2B6C4D36E6F3_mC228_9_2a_6a_4a_36a_6a_3a:Mg-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - A2B6C4D36E6F3_mC228_9_2a_8a_4a_72a_11a_4a:Mg-Na-Nb-O-P-Si, expected Na8Mg2Nb4Si4P11O72 to be Na6Mg2Nb4Si3(PO6)6" +mp-2715554,Na3MgNb5Si3(PO6)6,-8.1800917197,-2.9410001667000003,0.0111055352,0.0111055352,GGA,P3c1,AB3C5D36E6F3_hP108_158_a_abc_a2b2c_12d_2d_d:Mg-Na-Nb-O-P-Si,108.0,AB3C5D36E6F3_hP108_158_a_abc_a2b2c_12d_2d_d:Mg-Na-Nb-O-P-Si +mp-2713366,Na3Mg2Nb4(PO4)9,-7.9399477503,-2.858950115,0.0083137963,0.0083137963,GGA,P3c1,A2B3C4D36E9_hP108_158_ab_abc_ab2c_12d_3d:Mg-Na-Nb-O-P,108.0,A2B3C4D36E9_hP108_158_ab_abc_ab2c_12d_3d:Mg-Na-Nb-O-P +mp-2715629,Na21Mg8Nb4Si3(P5O24)3,-7.147280718,-2.800796404,0.0371887103,0.0371887103,GGA,P1,A8B21C4D72E15F3_aP123_1_8a_21a_4a_72a_15a_3a:Mg-Na-Nb-O-P-Si,123.0,A8B21C4D72E15F3_aP123_1_8a_21a_4a_72a_15a_3a:Mg-Na-Nb-O-P-Si +mp-2712885,Na9Mg2Nb10Si9(PO8)9,-8.0803501277,-2.9467869729,0.0240626584,0.0240626584,GGA,P1,A2B9C10D72E9F9_aP111_1_2a_9a_10a_72a_9a_9a:Mg-Na-Nb-O-P-Si,111.0,A2B9C10D72E9F9_aP111_1_2a_9a_10a_72a_9a_9a:Mg-Na-Nb-O-P-Si +mp-2713202,Na15Mg7Nb5(PO4)18,-7.3828205965,-2.808911218,0.0227314794,0.0227314794,GGA,P1,A7B15C5D72E18_aP117_1_7a_15a_5a_72a_18a:Mg-Na-Nb-O-P,117.0,A7B15C5D72E18_aP117_1_7a_15a_5a_72a_18a:Mg-Na-Nb-O-P +mp-2715858,Na5Mg2Nb2SiP5O24,-7.467538893,-2.8206630909,0.0470741021,0.0470741021,GGA,P1,A2B5C2D24E5F_aP117_1_6a_15a_6a_72a_15a_3a:Mg-Na-Nb-O-P-Si,117.0,A2B5C2D24E5F_aP117_1_6a_15a_6a_72a_15a_3a:Mg-Na-Nb-O-P-Si +mp-2714101,Na7Mg3Nb(PO4)6,-7.0669200789,-2.7898428508,0.017591337,0.017591337,GGA,P1,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Mg-Na-Nb-O-P,123.0,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Mg-Na-Nb-O-P +mp-2713607,Na9Mg2Nb4Si6(PO12)3,-7.5821130978,-2.8757611444,0.0616720001,0.0616720001,GGA,P1,A2B9C4D36E3F6_aP120_1_4a_18a_8a_72a_6a_12a:Mg-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - A2B9C4D36E3F6_aP120_1_8a_36a_16a_144a_11a_23a:Mg-Na-Nb-O-P-Si, expected Na36Mg8Nb16Si23P11O144 to be Na9Mg2Nb4Si6(PO12)3" +mp-2713237,Na9Mg2Nb4Si6(PO12)3,-7.5967544488,-2.8904024954,0.0470306491,0.0470306491,GGA,P1,A2B9C4D36E3F6_aP360_1_12a_54a_24a_216a_18a_36a:Mg-Na-Nb-O-P-Si,360.0,A2B9C4D36E3F6_aP360_1_12a_54a_24a_216a_18a_36a:Mg-Na-Nb-O-P-Si +mp-2715764,Na4MgNbSi2PO12,-7.2269849778,-2.8167045318,0.0643957742,0.0643957742,GGA,Cc,AB4CD12EF2_mC84_9_a_4a_a_12a_a_2a:Mg-Na-Nb-O-P-Si,126.0,"Invalid WP multiplicities - AB4CD12EF2_mC84_9_a_19a_a_72a_a_12a:Mg-Na-Nb-O-P-Si, expected Na19MgNbSi12PO72 to be Na4MgNbSi2PO12" +mp-2714801,Na7Mg2Nb2Si3(PO8)3,-7.3090974267,-2.823798941,0.0632953707,0.0632953707,GGA,P1,A2B7C2D24E3F3_aP123_1_6a_21a_6a_72a_9a_9a:Mg-Na-Nb-O-P-Si,123.0,A2B7C2D24E3F3_aP123_1_6a_21a_6a_72a_9a_9a:Mg-Na-Nb-O-P-Si +mp-2714441,Na12Mg4Nb2Si3(PO6)6,-7.0785658959,-2.8037945223,0.0353580439,0.0353580439,GGA,P3c1,A4B12C2D36E6F3_hP126_158_ab2c_abc3d_ab_12d_2d_d:Mg-Na-Nb-O-P-Si,126.0,A4B12C2D36E6F3_hP126_158_ab2c_abc3d_ab_12d_2d_d:Mg-Na-Nb-O-P-Si +mp-2714327,Na21Mg4Nb8Si15(PO24)3,-7.5071665738,-2.8830539164,0.0468883166,0.0468883166,GGA,P1,A4B21C8D72E3F15_aP123_1_4a_21a_8a_72a_3a_15a:Mg-Na-Nb-O-P-Si,123.0,A4B21C8D72E3F15_aP123_1_4a_21a_8a_72a_3a_15a:Mg-Na-Nb-O-P-Si +mp-2715707,Na3Mg2Nb10Si3(P5O24)3,-8.2687569454,-2.9181067999,0.0089148844,0.0089148844,GGA,P1,A2B3C10D72E15F3_aP105_1_2a_3a_10a_72a_15a_3a:Mg-Na-Nb-O-P-Si,105.0,A2B3C10D72E15F3_aP105_1_2a_3a_10a_72a_15a_3a:Mg-Na-Nb-O-P-Si +mp-2715386,Na3MgNbSi(PO6)2,-7.3861173555,-2.8220499281,0.0621680433,0.0621680433,GGA,Cc,AB3CD12E2F_mC240_9_3a_9a_3a_36a_6a_3a:Mg-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12E2F_mC240_9_3a_12a_3a_60a_9a_3a:Mg-Na-Nb-O-P-Si, expected Na4MgNbSiP3O20 to be Na3MgNbSi(PO6)2" +mp-2715491,Na3MgNbSi(PO6)2,-7.3757008175,-2.8116333901,0.0725845813,0.0725845813,GGA,Cc,AB3CD12E2F_mC80_9_a_3a_a_12a_2a_a:Mg-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - AB3CD12E2F_mC80_9_a_3a_a_30a_2a_a:Mg-Na-Nb-O-P-Si, expected Na3MgNbSi(PO15)2 to be Na3MgNbSi(PO6)2" +mp-2714153,Na15Mg4Nb8Si9(PO8)9,-7.6739704692,-2.88116182,0.0516599242,0.0516599242,GGA,P1,A4B15C8D72E9F9_aP117_1_4a_15a_8a_72a_9a_9a:Mg-Na-Nb-O-P-Si,117.0,A4B15C8D72E9F9_aP117_1_4a_15a_8a_72a_9a_9a:Mg-Na-Nb-O-P-Si +mp-863005,Ca2Al2Si6SnO22,-7.3066398735,-2.5523676583,0.4085207028,0.4085207028,GGA,P2_1/c,A2B2C22D6E_mP66_14_e_e_11e_3e_a:Al-Ca-O-Si-Sn,66.0,A2B2C22D6E_mP66_14_e_e_11e_3e_a:Al-Ca-O-Si-Sn +mp-1198749,Ca2Al2Si6Sn(H3O11)2,-7.3406983483,-2.7958947747,0.0008590858,0.0008590858,GGA,P2_1/c,A2B2C6D22E6F_mP78_14_e_e_3e_11e_3e_a:Al-Ca-H-O-Si-Sn,78.0,A2B2C6D22E6F_mP78_14_e_e_3e_11e_3e_a:Al-Ca-H-O-Si-Sn +mp-1215091,Ca2Al2Si6Sn(H3O11)2,-6.9622335429,-2.4174299693,0.3793238912,0.3793238912,GGA,P2_1/c,A2B2C6D22E6F_mP78_14_e_e_3e_11e_3e_a:Al-Ca-H-O-Si-Sn,78.0,A2B2C6D22E6F_mP78_14_e_e_3e_11e_3e_a:Al-Ca-H-O-Si-Sn +mp-20684,Pr3AlN,-4.209235396,1.075722208,1.861268792,1.815863362,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-N-Pr,5.0,ABC3_cP5_221_b_a_c:Al-N-Pr +mp-1094072,Pr3AlN,-6.070504188,-0.7855465840000001,0.0,-0.04540543,GGA,Pm-3m,ABC3_cP5_221_a_b_c:Al-N-Pr,5.0,ABC3_cP5_221_a_b_c:Al-N-Pr +mp-559391,Pr3Si2Cl3O7,-7.7389994623,-3.3812805101,0.0049573681,0.0049573681,GGA,P2_1,A3B7C3D2_mP30_4_3a_7a_3a_2a:Cl-O-Pr-Si,30.0,"Invalid WP multiplicities - A3B7C3D2_mP30_4_6a_13a_4a_4a:Cl-O-Pr-Si, expected Pr4Si4Cl6O13 to be Pr3Si2Cl3O7" +mp-1173412,Pr4AlSi5(NO)7,-8.4365966613,-2.4791768923,0.0093975441,0.0093975441,GGA,P1,AB7C7D4E5_aP72_1_3a_21a_21a_12a_15a:Al-N-O-Pr-Si,72.0,AB7C7D4E5_aP72_1_3a_21a_21a_12a_15a:Al-N-O-Pr-Si +mp-699390,Pr4Si4N7ClO3,-8.2735261668,-2.1751597243,0.0,-0.0013190838,GGA,P2_12_12_1,AB7C3D4E4_oP76_19_a_7a_3a_4a_4a:Cl-N-O-Pr-Si,76.0,"Invalid WP multiplicities - AB7C3D4E4_oP76_19_a_25a_9a_13a_13a:Cl-N-O-Pr-Si, expected Pr13Si13N25ClO9 to be Pr4Si4N7ClO3" +mp-686466,Pr16Si16N27Cl3O14,-8.2898780762,-2.1953491885,0.039569278,0.039569278,GGA,P1,A3B27C14D16E16_aP152_1_6a_54a_28a_32a_32a:Cl-N-O-Pr-Si,152.0,A3B27C14D16E16_aP152_1_6a_54a_28a_32a_32a:Cl-N-O-Pr-Si +mp-735924,Pr16Si16N27Cl3O14,-7.4472681609,-1.3527392731,0.8821791933,0.8821791933,GGA,P1,A3B27C14D16E16_aP76_1_3a_27a_14a_16a_16a:Cl-N-O-Pr-Si,76.0,A3B27C14D16E16_aP76_1_3a_27a_14a_16a_16a:Cl-N-O-Pr-Si +mp-721011,Pr20AlSi19N33Cl2O19,-8.3921400901,-2.272637698,0.0,-0.00582118,GGA,Pm,AB2C33D19E20F19_mP94_6_a_2b_3a4b13c_5a7c_4a4b6c_3a8c:Al-Cl-N-O-Pr-Si,94.0,"Invalid WP multiplicities - AB2C33D19E20F19_mP94_6_a_2b_3a4b13c_5a7c_4a4b7c_3a8c:Al-Cl-N-O-Pr-Si, expected Pr22AlSi19N33Cl2O19 to be Pr20AlSi19N33Cl2O19" +mp-554826,Pr3Si2ClO8,-8.3408297811,-3.5825869471000003,0.0,-0.0055119025,GGA,C2/c,AB8C3D2_mC56_15_e_4f_ef_f:Cl-O-Pr-Si,28.0,"Invalid WP multiplicities - AB8C3D2_mC56_15_e_12f_2e2f_f:Cl-O-Pr-Si, expected Pr6Si2ClO24 to be Pr3Si2ClO8" +mp-1025277,Pr2AlNO3,-8.2621582871,-3.0501656587,0.0709906477,0.0709906477,GGA,I4mm,ABC3D2_tI14_107_a_a_ab_2a:Al-N-O-Pr,7.0,ABC3D2_tI14_107_a_a_ab_2a:Al-N-O-Pr +mp-2713511,Na5Ga3Ge(PO4)6,-6.9291857789,-2.5312297148000003,0.0353749579,0.0353749579,GGA,P1,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Ga-Ge-Na-O-P,117.0,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Ga-Ge-Na-O-P +mp-2714818,Na3GaGe3(PO4)6,-7.1379925501,-2.4875844534,0.0226732392,0.0226732392,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Ge-Na-O-P,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Ge-Na-O-P +mp-2715732,Na4GaSi2GePO12,-6.7804007253,-2.5629993847,0.0792189646,0.0792189646,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ga-Ge-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Ga-Ge-Na-O-P-Si, expected Na19GaSi12GePO72 to be Na4GaSi2GePO12" +mp-2715162,Na7Ga2Si3Ge2(PO8)3,-6.8438546538,-2.5561396419,0.0786026702,0.0786026702,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ga-Ge-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ga-Ge-Na-O-P-Si +mp-2713255,Na2GaGe(PO4)3,-7.0252979077,-2.5044375646,0.0347350257,0.0347350257,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Ga-Ge-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Ga-Ge-Na-O-P, expected Na2GaGe(PO4)18 to be Na2GaGe(PO4)3" +mp-2715401,Na3GaSiGe(PO6)2,-6.8970521242,-2.5355077574,0.0790094874,0.0790094874,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ga-Ge-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Ga-Ge-Na-O-P-Si, expected Na14Ga3Si3Ge3(P5O36)2 to be Na3GaSiGe(PO6)2" +mp-2715512,Na3GaSiGe(PO6)2,-6.8941560445,-2.5326116777000003,0.0819055671,0.0819055671,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ga-Ge-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Ga-Ge-Na-O-P-Si, expected Na3GaSiGe(PO15)2 to be Na3GaSiGe(PO6)2" +mp-2715877,Na5Ga2SiGe2P5O24,-6.9612434062,-2.5220835638,0.0568110491,0.0568110491,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-Ge-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-Ge-Na-O-P-Si +mp-2716378,Na2La4Si3Ge4(S3O16)3,-7.0448334349,-2.3044584141,0.182579217,0.182579217,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ge-La-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ge-La-Na-O-S-Si +mp-2712884,La2SiGe2S5O24,-7.0820935685,-2.2601474993,0.0949415372,0.0949415372,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ge-La-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ge-La-O-S-Si +mp-2716455,Na5La3Si3Ge(SO8)3,-7.1130424092,-2.6656191170000003,0.1487476543,0.1487476543,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-La-Na-O-S-Si,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-La-Na-O-S-Si +mp-2714425,Na3LaSi2GeSO12,-6.9713081074000005,-2.5776100423,0.1830528964,0.1830528964,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Ge-La-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Ge-La-Na-O-S-Si, expected Na13LaSi7GeSO72 to be Na3LaSi2GeSO12" +mp-2713321,Na4La2Si3Ge2(SO8)3,-6.9828752349,-2.4614540808,0.2237565838,0.2237565838,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ge-La-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ge-La-Na-O-S-Si +mp-2712688,NaLaSiGe(SO6)2,-7.0424011778,-2.3790654804,0.2080776984,0.2080776984,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Ge-La-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Ge-La-Na-O-S-Si, expected NaLaSiGeS3O20 to be NaLaSiGe(SO6)2" +mp-2714174,Na10La4Si7Ge4S5O48,-6.9871936962,-2.5312715622,0.1975739837,0.1975739837,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ge-La-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ge-La-Na-O-S-Si +mp-2714936,Na8ZrZn3(PO4)6,-6.746031855,-2.6006157141,0.0498711483,0.0498711483,GGA,P3,A8B24C6D3E_hP126_143_2a2b2c6d_24d_6d_2a3b4c_2ab:Na-O-P-Zn-Zr,126.0,A8B24C6D3E_hP126_143_2a2b2c6d_24d_6d_2a3b4c_2ab:Na-O-P-Zn-Zr +mp-2716290,Na10Zr5Zn3(PO4)12,-7.4962797341,-2.8534121041,0.0365455213,0.0365455213,GGA,P1,A10B48C12D3E5_aP234_1_30a_144a_36a_9a_15a:Na-O-P-Zn-Zr,234.0,A10B48C12D3E5_aP234_1_30a_144a_36a_9a_15a:Na-O-P-Zn-Zr +mp-2714267,Na14Zr3Zn5(PO4)12,-6.9850481023,-2.6819034405,0.044513176,0.044513176,GGA,P1,A14B48C12D5E3_aP246_1_42a_144a_36a_15a_9a:Na-O-P-Zn-Zr,246.0,A14B48C12D5E3_aP246_1_42a_144a_36a_15a_9a:Na-O-P-Zn-Zr +mp-2714954,Na7Zr3ZnSi3(PO8)3,-7.5044173626,-2.9337609423,0.0425387602,0.0425387602,GGA,P1,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-P-Si-Zn-Zr,123.0,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-P-Si-Zn-Zr +mp-2714361,Na4ZrZnSi(PO6)2,-7.0778639388,-2.7583528439,0.0530631657,0.0530631657,GGA,Cc,A4B12C2DEF_mC252_9_12a_36a_6a_3a_3a_3a:Na-O-P-Si-Zn-Zr,126.0,"Invalid WP multiplicities - A4B12C2DEF_mC252_9_18a_60a_9a_3a_3a_3a:Na-O-P-Si-Zn-Zr, expected Na6ZrZnSiP3O20 to be Na4ZrZnSi(PO6)2" +mp-1207426,Zr6Zn23Si,-3.1487006573,-0.2925131627,0.0,-0.0176591632,GGA,Fm-3m,AB23C6_cF120_225_a_bd2f_e:Si-Zn-Zr,30.0,AB23C6_cF120_225_a_bd2f_e:Si-Zn-Zr +mp-2715256,Na3ZrZn(PO4)3,-7.2332393171,-2.7644797083,0.04166315,0.04166315,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-P-Zn-Zr,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-P-Zn-Zr, expected Na14Zr3Zn3(PO4)18 to be Na3ZrZn(PO4)3" +mp-2715334,Na3ZrZn(PO4)3,-7.2323682871,-2.7636086784,0.04253418,0.04253418,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-P-Zn-Zr,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-P-Zn-Zr, expected Na3ZrZn(PO5)6 to be Na3ZrZn(PO4)3" +mp-2715954,Na5Zr3ZnSiP5O24,-7.6843835001,-2.9477724334,0.0307498231,0.0307498231,GGA,P1,A5B24C5DEF3_aP117_1_15a_72a_15a_3a_3a_9a:Na-O-P-Si-Zn-Zr,117.0,A5B24C5DEF3_aP117_1_15a_72a_15a_3a_3a_9a:Na-O-P-Si-Zn-Zr +mp-2714823,Na6Zr7Zn(PO4)12,-8.0748929861,-3.0555755807,0.0156031627,0.0156031627,GGA,P1,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-P-Zn-Zr,222.0,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-P-Zn-Zr +mp-2715424,Na6Zr3ZnSi2(PO6)4,-7.5944392939,-2.9428799834,0.0359639054,0.0359639054,GGA,P1,A6B24C4D2EF3_aP40_1_6a_24a_4a_2a_a_3a:Na-O-P-Si-Zn-Zr,80.0,"Invalid WP multiplicities - A6B24C4D2EF3_aP40_1_12a_48a_8a_4a_a_6a:Na-O-P-Si-Zn-Zr, expected Na12Zr6ZnSi4(PO6)8 to be Na6Zr3ZnSi2(PO6)4" +mp-2715277,Na6Zr3ZnSi2(PO6)4,-7.5982214618,-2.9466621514,0.0321817375,0.0321817375,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-Si-Zn-Zr,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-Si-Zn-Zr +mp-2713552,Na4Zr3Zn(PO4)6,-7.7765506189,-2.9504113877,0.0277723083,0.0277723083,GGA,P1,A4B24C6DE3_aP114_1_12a_72a_18a_3a_9a:Na-O-P-Zn-Zr,114.0,A4B24C6DE3_aP114_1_12a_72a_18a_3a_9a:Na-O-P-Zn-Zr +mp-2715731,Na7Zr2Zn2SiP5O24,-7.149935411,-2.757620163,0.0530408587,0.0530408587,GGA,P1,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Zn-Zr,123.0,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Zn-Zr +mp-1207383,Zr5(ZnSi)4,-5.9256193538,-0.5811001454,0.0726894213,0.0726894213,GGA,I4/m,A4B4C5_tI26_87_h_h_ah:Si-Zn-Zr,13.0,A4B4C5_tI26_87_h_h_ah:Si-Zn-Zr +mp-2716176,Na8Zr3ZnSi4(PO12)2,-7.4278314238,-2.934225375,0.035109891,0.035109891,GGA,P1,A8B24C2D4EF3_aP126_1_24a_72a_6a_12a_3a_9a:Na-O-P-Si-Zn-Zr,126.0,A8B24C2D4EF3_aP126_1_24a_72a_6a_12a_3a_9a:Na-O-P-Si-Zn-Zr +mp-2714811,Na3InSi3Ge3(SO8)3,-6.7590698716,-2.2186867382,0.1520953366,0.1520953366,GGA,P1,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Ge-In-Na-O-S-Si,111.0,A3BC3D24E3F3_aP111_1_9a_3a_9a_72a_9a_9a:Ge-In-Na-O-S-Si +mp-1190145,Na2In2GeS6,-4.4367175677,-1.0194316493,0.0,-0.0289104173,GGA,Cc,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Na-S,22.0,AB2C2D6_mC44_9_a_2a_2a_6a:Ge-In-Na-S +mp-2715837,Na10In4Si7Ge4S5O48,-6.6402063546,-2.2963008038,0.1575913735,0.1575913735,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ge-In-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ge-In-Na-O-S-Si +mp-2715779,Na8In2Si5Ge2SO24,-6.6368567402,-2.4627330592,0.0866174411,0.0866174411,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ge-In-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ge-In-Na-O-S-Si +mp-2713154,Na5In3Si3Ge(SO8)3,-6.5350040985,-2.2556056812,0.1352281308,0.1352281308,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-In-Na-O-S-Si,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-In-Na-O-S-Si +mp-1519692,NaIn(GeO3)4,-6.0924014544,-1.5409245112,0.3368349501,0.3368349501,GGA,Amm2,A4BCD12_oC36_38_f_a_b_2cdef:Ge-In-Na-O,18.0,"Invalid WP multiplicities - A4BCD12_oC36_38_f_a_b_3c2d2ef:Ge-In-Na-O, expected NaIn(Ge2O9)2 to be NaIn(GeO3)4" +mp-2713102,In2SiGe2S5O24,-6.6194466935000005,-1.9259902346,0.0642409431,0.0642409431,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ge-In-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ge-In-O-S-Si +mp-2715199,Na14In4Si9Ge4(SO16)3,-6.6443945902,-2.4164376334,0.1083650029,0.1083650029,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ge-In-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ge-In-Na-O-S-Si +mp-2714343,Na3InSi2GeSO12,-6.6334930842,-2.3490111878,0.1448812444,0.1448812444,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Ge-In-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Ge-In-Na-O-S-Si, expected Na13InSi7GeSO72 to be Na3InSi2GeSO12" +mp-2713543,Na4In2Si3Ge2(SO8)3,-6.631582371,-2.2251256051,0.1584608988,0.1584608988,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ge-In-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ge-In-Na-O-S-Si +mp-2716321,Na2In4Si3Ge4(S3O16)3,-6.6244620614,-2.0089055191,0.1236987635,0.1236987635,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ge-In-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ge-In-Na-O-S-Si +mp-2716059,Na6In4Si5Ge4S7O48,-6.6545022929,-2.1821131651,0.1273673587,0.1273673587,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ge-In-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ge-In-Na-O-S-Si +mp-743704,Ca4Y2Al7Cr2SiO24,-8.0330414889,-3.267383624,0.0526603996,0.0526603996,GGA+U,P1,A7B4C2D24EF2_aP80_1_14a_8a_4a_48a_2a_4a:Al-Ca-Cr-O-Si-Y,80.0,A7B4C2D24EF2_aP80_1_14a_8a_4a_48a_2a_4a:Al-Ca-Cr-O-Si-Y +mp-1047503,Ca2YCrO5,-8.1136046956,-3.1286978178,0.1274198105,0.1274198105,GGA+U,Ima2,A2BC5D_oI36_46_c_a_b2c_b:Ca-Cr-O-Y,18.0,A2BC5D_oI36_46_c_a_b2c_b:Ca-Cr-O-Y +mp-1227522,Ca6AlCr3(SiO4)6,-8.1546254133,-3.254356544,0.0015641924,0.0015641924,GGA+U,C2/c,AB6C3D24E6_mC160_15_c_2e2f_abd_12f_2e2f:Al-Ca-Cr-O-Si,80.0,"Invalid WP multiplicities - AB6C3D24E6_mC160_15_c_4e4f_2a2bd_36f_4e4f:Al-Ca-Cr-O-Si, expected Ca12AlCr5(SiO6)12 to be Ca6AlCr3(SiO4)6" +mp-720216,Ca3Y9Al18CrSiO48,-8.3463714043,-3.5444360512,0.0229235799,0.0229235799,GGA+U,P1,A18B3CD48EF9_aP80_1_18a_3a_a_48a_a_9a:Al-Ca-Cr-O-Si-Y,80.0,A18B3CD48EF9_aP80_1_18a_3a_a_48a_a_9a:Al-Ca-Cr-O-Si-Y +mp-697210,Ca11YAl15Cr4SiO48,-7.6773852566,-3.1000068405,0.1010116831,0.1010116831,GGA+U,C2,A15B11C4D48EF_mC160_5_2ab6c_a2b4c_2c_24c_b_a:Al-Ca-Cr-O-Si-Y,80.0,"Invalid WP multiplicities - A15B11C4D48EF_mC160_5_2ab12c_a2b7c_2c_48c_b_a:Al-Ca-Cr-O-Si-Y, expected Ca17YAl27Cr4SiO96 to be Ca11YAl15Cr4SiO48" +mp-534807,Ca5Y7Al16Cr2(SiO24)2,-8.2326596204,-3.4474058752,0.0382912335,0.0382912335,GGA+U,P1,A16B5C2D48E2F7_aP80_1_16a_5a_2a_48a_2a_7a:Al-Ca-Cr-O-Si-Y,80.0,A16B5C2D48E2F7_aP80_1_16a_5a_2a_48a_2a_7a:Al-Ca-Cr-O-Si-Y +mp-2715918,Na14Mg4In4Si5S7O48,-6.3851055244,-2.3674712977,0.1065449084,0.1065449084,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:In-Mg-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:In-Mg-Na-O-S-Si +mp-677416,Na5Mg5In3(SO4)12,-6.4523070798,-2.2064504435,0.0,-0.0020381376,GGA,P1,A3B5C5D48E12_aP146_1_6a_10a_10a_96a_24a:In-Mg-Na-O-S,146.0,A3B5C5D48E12_aP146_1_6a_10a_10a_96a_24a:In-Mg-Na-O-S +mp-2714726,Na10Mg4In4Si3(S3O16)3,-6.4070773289,-2.2842802894,0.0900261807,0.0900261807,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:In-Mg-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:In-Mg-Na-O-S-Si +mp-730563,Na3Mg3In(SO4)6,-3.3717980008,0.8189946487,3.0718891009,3.0718891009,GGA,P1,AB3C3D24E6_aP74_1_2a_6a_6a_48a_12a:In-Mg-Na-O-S,74.0,AB3C3D24E6_aP74_1_2a_6a_6a_48a_12a:In-Mg-Na-O-S +mp-2715212,Na3Mg3In(SO4)6,-6.4407362994,-2.2499436499,0.0029508023,0.0029508023,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:In-Mg-Na-O-S,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:In-Mg-Na-O-S +mp-2714294,NaMgIn(SO4)3,-6.4584112417,-2.1559610634,0.0,-0.0021849187,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:In-Mg-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:In-Mg-Na-O-S, expected NaMgIn(SO12)3 to be NaMgIn(SO4)3" +mp-2714782,NaMgIn3(SO4)6,-6.4586464044,-2.0381582671,0.0068780125,0.0068780125,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:In-Mg-Na-O-S,105.0,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:In-Mg-Na-O-S +mp-2715216,Na8Mg2In2Si3(SO8)3,-6.369581486,-2.4007728511,0.1023200867,0.1023200867,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:In-Mg-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:In-Mg-Na-O-S-Si +mp-2713606,Na6Mg4In4SiS11O48,-6.4440103532,-2.204681548,0.0289337468,0.0289337468,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:In-Mg-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:In-Mg-Na-O-S-Si +mp-2714115,Na7MgIn3Si3(SO8)3,-6.4067150264,-2.3452798787,0.1088517739,0.1088517739,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:In-Mg-Na-O-S-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:In-Mg-Na-O-S-Si +mp-2712571,Na3MgInSi(SO6)2,-6.3931321423,-2.3242310444,0.1064733349,0.1064733349,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:In-Mg-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:In-Mg-Na-O-S-Si, expected Na4MgInSiS3O20 to be Na3MgInSi(SO6)2" +mp-2713418,Na4Mg2In2SiS5O24,-6.4254890304,-2.2459594207,0.0602659504,0.0602659504,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:In-Mg-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:In-Mg-Na-O-S-Si +mp-2716028,Na6Hf4Ga4Si5S7O48,-7.3491155698,-2.5734522005,0.0781887806,0.0781887806,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ga-Hf-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ga-Hf-Na-O-S-Si +mp-2712690,NaHfGaSi(SO6)2,-7.3838651985,-2.5301822738,0.0489722881,0.0489722881,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Ga-Hf-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Ga-Hf-Na-O-S-Si, expected NaHfGaSiS3O20 to be NaHfGaSi(SO6)2" +mp-2713610,Na4Hf2Ga2Si3(SO8)3,-7.3306229331,-2.6288728268,0.0914394989,0.0914394989,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ga-Hf-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ga-Hf-Na-O-S-Si +mp-2716432,Na5HfGa3Si3(SO8)3,-6.9028877414,-2.4654534766,0.1233093924,0.1233093924,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ga-Hf-Na-O-S-Si,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ga-Hf-Na-O-S-Si +mp-2714713,Na14Hf4Ga4Si9(SO16)3,-7.2624406582,-2.7607971908,0.0839087574,0.0839087574,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ga-Hf-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ga-Hf-Na-O-S-Si +mp-2714879,Na3Hf3GaSi3(SO8)3,-7.7771892217,-2.7968359311,0.0621366326,0.0621366326,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Hf-Na-O-S-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Hf-Na-O-S-Si +mp-2716148,Na8Hf2Ga2Si5SO24,-7.2407366955,-2.7994428493,0.0680032837,0.0680032837,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ga-Hf-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ga-Hf-Na-O-S-Si +mp-2714168,Na10Hf4Ga4Si7S5O48,-7.3010913731,-2.6694641061,0.1159979566,0.1159979566,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ga-Hf-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ga-Hf-Na-O-S-Si +mp-2716555,Na2Hf4Ga4Si3(S3O16)3,-7.390955678,-2.4547949376,0.0404942038,0.0404942038,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ga-Hf-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ga-Hf-Na-O-S-Si +mp-2714485,Na3HfGaSi2SO12,-7.2786042513,-2.7135936815,0.1072350726,0.1072350726,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Ga-Hf-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Ga-Hf-Na-O-S-Si, expected Na13HfGaSi7SO72 to be Na3HfGaSi2SO12" +mp-2713105,Hf2Ga2SiS5O24,-7.407629226,-2.3841390336,0.0201184894,0.0201184894,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ga-Hf-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ga-Hf-O-S-Si +mp-2715272,Na3LaSc(PO4)3,-7.5952412843,-3.0534300771,0.0461226915,0.0461226915,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:La-Na-O-P-Sc,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:La-Na-O-P-Sc +mp-2715362,Na3LaSc(PO4)3,-7.5886672889,-3.0468560816,0.052696687,0.052696687,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:La-Na-O-P-Sc,,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:La-Na-O-P-Sc +mp-1205647,La2ScSi2,-6.071282531,-0.660258656,0.0,-0.0020569656,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:La-Sc-Si,10.0,A2BC2_tP10_127_h_a_g:La-Sc-Si +mp-2714528,Na4LaScSi(PO6)2,-7.4100518721,-3.0209678262,0.052814132,0.052814132,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:La-Na-O-P-Sc-Si,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:La-Na-O-P-Sc-Si +mp-1024951,LaScSi,-6.1561958417,-0.5915977617,0.0096645418,0.0096645418,GGA,I4/mmm,ABC_tI12_139_e_c_e:La-Sc-Si,6.0,ABC_tI12_139_e_c_e:La-Sc-Si +mp-1025119,LaScSi,-5.8195288483,-0.2549307683,0.3463315351,0.3463315351,GGA,I4/mmm,ABC_tI12_139_e_e_c:La-Sc-Si,6.0,ABC_tI12_139_e_e_c:La-Sc-Si +mp-2715755,Na7La2Sc2SiP5O24,-7.4990767748,-3.0354916746,0.0527467077,0.0527467077,GGA,P1,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:La-Na-O-P-Sc-Si,123.0,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:La-Na-O-P-Sc-Si +mp-779164,Li4Fe2Ni3Te3O16,-6.2924639579,-1.6319967798,0.0897127829,0.0897127829,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Te,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Ni-O-Te +mp-782065,LiTePO5,-6.6173108244000005,-2.2174389715,0.0437174756,0.0437174756,GGA,Pnma,AB5CD_oP32_62_a_3cd_c_c:Li-O-P-Te,32.0,"Invalid WP multiplicities - AB5CD_oP32_62_a_9c4d_c_c:Li-O-P-Te, expected LiTePO17 to be LiTePO5" +mp-774836,Li4Ni5Te(PO4)6,-6.9863279255,-2.2143273037,0.095776839,0.095776839,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Te,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Ni-O-P-Te +mp-1176834,Li8Fe7Te(PO4)12,-7.4160717837,-2.41468329,0.0225472344,0.0225472344,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Te,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Te +mp-772169,Li4Fe3Ni3(TeO8)2,-6.5527331775,-1.7020261667,0.0089131433,0.0089131433,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-Te,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Ni-O-Te, expected Li4Fe3Ni3(TeO10)2 to be Li4Fe3Ni3(TeO8)2" +mp-774923,Fe3Ni2Te(PO4)6,-7.5194712375,-2.205193821,0.0373419362,0.0373419362,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-Te,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Ni-O-P-Te, expected Fe3Ni2Te(PO11)6 to be Fe3Ni2Te(PO4)6" +mp-1224910,FeNiTe4,-4.8959340433000005,-0.4253704661,0.0581883308,0.0581883308,GGA,P2_1/c,ABC4_mP12_14_a_d_2e:Fe-Ni-Te,12.0,"Invalid WP multiplicities - ABC4_mP12_14_a_b_4e:Fe-Ni-Te, expected FeNiTe8 to be FeNiTe4" +mp-1177446,Li4Fe2Ni3Te(PO4)6,-7.163621423,-2.2571265747,0.0940700068,0.0940700068,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Te,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Te +mp-1228257,Ba2YCu3PbO7,-6.4890057614,-2.1360408291,0.0,-0.002790884,GGA,Cm,A2B3C7DE_mC28_8_2a_3a_7a_a_a:Ba-Cu-O-Pb-Y,14.0,A2B3C7DE_mC28_8_2a_3a_7a_a_a:Ba-Cu-O-Pb-Y +mp-1096045,SrYPb2,-2.45009879,1.4452158867,1.9701839064,1.9701839064,GGA,Immm,A2BC_oI8_71_e_a_b:Pb-Sr-Y,4.0,A2BC_oI8_71_e_a_b:Pb-Sr-Y +mp-1227594,BaSrY4(CuO5)2,-7.89775721,-3.05666536,0.0546224226,0.0546224226,GGA,Pmc2_1,AB2C10DE4_oP36_26_a_ab_ab4c_b_2a2b:Ba-Cu-O-Sr-Y,36.0,"Invalid WP multiplicities - AB2C10DE4_oP36_26_a_ab_ab6c_b_2a2b:Ba-Cu-O-Sr-Y, expected BaSrY4(CuO7)2 to be BaSrY4(CuO5)2" +mp-554200,Sr2YCu3(PbO4)2,-6.3789937031,-2.0576260869,0.0313812692,0.0313812692,GGA,P-1,A3B8C2D2E_aP32_2_ae2i_8i_2i_2i_bh:Cu-O-Pb-Sr-Y,32.0,"Invalid WP multiplicities - A3B8C2D2E_aP32_2_ae4i_13i_3i_2i_bh:Cu-O-Pb-Sr-Y, expected Sr2YCu5Pb3O13 to be Sr2YCu3(PbO4)2" +mp-1218582,Sr2YCu3(PbO4)2,-6.3837104056000005,-2.0623427894,0.0266645667,0.0266645667,GGA,P2/m,A3B8C2D2E_mP16_10_an_2m2n_n_m_c:Cu-O-Pb-Sr-Y,16.0,"Invalid WP multiplicities - A3B8C2D2E_mP16_10_an_3m3n_n_m_c:Cu-O-Pb-Sr-Y, expected Sr2YCu3(PbO6)2 to be Sr2YCu3(PbO4)2" +mp-643629,Sr2YCu3(PbO4)2,-6.3864813178,-2.0651137016,0.0238936546,0.0238936546,GGA,P222_1,A3B8C2D2E_oP32_17_ae_2c2d2e_e_e_b:Cu-O-Pb-Sr-Y,32.0,A3B8C2D2E_oP32_17_ae_2c2d2e_e_e_b:Cu-O-Pb-Sr-Y +mp-578628,Sr2YCu3(PbO4)2,-6.3583850969,-2.0370174806,0.0519898755,0.0519898755,GGA,Pmc2_1,A3B8C2D2E_oP32_26_ac_4c_c_c_b:Cu-O-Pb-Sr-Y,32.0,"Invalid WP multiplicities - A3B8C2D2E_oP32_26_ac_10c_c_c_b:Cu-O-Pb-Sr-Y, expected Sr2YCu3(PbO10)2 to be Sr2YCu3(PbO4)2" +mp-1198573,Sr2YCu3(PbO4)2,-6.3865637859,-2.0651961697,0.0238111864,0.0238111864,GGA,Pmna,A3B8C2D2E_oP32_53_ah_2g2h_h_h_d:Cu-O-Pb-Sr-Y,32.0,"Invalid WP multiplicities - A3B8C2D2E_oP32_53_ah_3g2h_h_h_d:Cu-O-Pb-Sr-Y, expected Sr2YCu3(PbO5)2 to be Sr2YCu3(PbO4)2" +mp-1208525,Sr2YCu2PbO7,-6.6112483285,-2.2740683739,0.0528625388,0.0528625388,GGA,P4/mmm,A2B7CD2E_tP13_123_h_ahi_c_g_b:Cu-O-Pb-Sr-Y,13.0,A2B7CD2E_tP13_123_h_ahi_c_g_b:Cu-O-Pb-Sr-Y +mp-1228504,Ba2YCu3(PbO4)2,-6.3903369938,-2.0402841917,0.0124656124,0.0124656124,GGA,P2/m,A2B3C8D2E_mP16_10_m_an_2m2n_n_c:Ba-Cu-O-Pb-Y,16.0,"Invalid WP multiplicities - A2B3C8D2E_mP16_10_m_an_3m3n_n_c:Ba-Cu-O-Pb-Y, expected Ba2YCu3(PbO6)2 to be Ba2YCu3(PbO4)2" +mp-1200772,Ba2YCu3(PbO4)2,-6.3929406891,-2.042887887,0.0098619171,0.0098619171,GGA,P222_1,A2B3C8D2E_oP32_17_e_ae_2c2d2e_e_b:Ba-Cu-O-Pb-Y,32.0,A2B3C8D2E_oP32_17_e_ae_2c2d2e_e_b:Ba-Cu-O-Pb-Y +mp-1227647,BaSrYCu3PbO7,-6.4650523657,-2.1284789682,0.0294523888,0.0294523888,GGA,Cm,AB3C7DEF_mC28_8_a_3a_7a_a_a_a:Ba-Cu-O-Pb-Sr-Y,14.0,AB3C7DEF_mC28_8_a_3a_7a_a_a_a:Ba-Cu-O-Pb-Sr-Y +mp-1228545,Ba2Sr2Y2Cu6O13,-6.5763809588,-2.2142980676,0.0427090004,0.0427090004,GGA,Fmm2,A2B6C13D2E2_oF100_42_c_3d_5a2b2d_c_c:Ba-Cu-O-Sr-Y,25.0,A2B6C13D2E2_oF100_42_c_3d_5a2b2d_c_c:Ba-Cu-O-Sr-Y +mp-1227433,BaSrY(CuO2)4,-6.4651545433,-2.0621361516,0.001626439,0.001626439,GGA,Amm2,AB4C8DE_oC30_38_a_4b_2a6b_a_a:Ba-Cu-O-Sr-Y,15.0,AB4C8DE_oC30_38_a_4b_2a6b_a_a:Ba-Cu-O-Sr-Y +mp-1228408,Ba3SrY8(CuO5)4,-7.9045187978,-3.0570524621,0.0446369938,0.0446369938,GGA,Pm,A3B4C20DE8_mP36_6_a2b_2a2b_2a2b8c_a_4a4b:Ba-Cu-O-Sr-Y,36.0,"Invalid WP multiplicities - A3B4C20DE8_mP36_6_a2b_2a2b_2a2b16c_a_4a4b:Ba-Cu-O-Sr-Y, expected Ba3SrY8(CuO9)4 to be Ba3SrY8(CuO5)4" +mp-2231287,K2Na2Nd2MgNb2O10,-7.1974818511,-2.688433399,0.2210601899,0.2210601899,GGA,P1,A2BC2D2E2F10_aP19_1_2a_a_2a_2a_2a_10a:K-Mg-Na-Nb-Nd-O,19.0,"Invalid WP multiplicities - A2BC2D2E2F10_mC38_8_b_a_2a_2a_b_6a3b:K-Mg-Na-Nb-Nd-O, expected K2Na2Nd2MgNb2O12 to be K2Na2Nd2MgNb2O10" +mp-2231329,K2Na2Nd2MgNb2O10,-7.1918452937,-2.6827968417,0.2266967473,0.2266967473,GGA,Pm,A2BC2D2E2F10_mP19_6_ab_a_ab_ab_ab_ab4c:K-Mg-Na-Nb-Nd-O,19.0,"Invalid WP multiplicities - A2BC2D2E2F10_mP19_6_ab_a_ab_ab_ab_ab8c:K-Mg-Na-Nb-Nd-O, expected K2Na2Nd2MgNb2O18 to be K2Na2Nd2MgNb2O10" +mp-2232000,K2Na2Nd2MgNb2O10,-7.1773176011,-2.668269149,0.2412244399,0.2412244399,GGA,Pmm2,A2BC2D2E2F10_oP19_25_ad_a_bc_bc_ad_bc2i:K-Mg-Na-Nb-Nd-O,19.0,"Invalid WP multiplicities - A2BC2D2E2F10_oP19_25_ad_a_bc_bc_ad_bc4i:K-Mg-Na-Nb-Nd-O, expected K2Na2Nd2MgNb2O18 to be K2Na2Nd2MgNb2O10" +mp-2230401,K2Na2Nd2MgNb2O10,-7.1735799911,-2.664531539,0.2449620499,0.2449620499,GGA,P4mm,A2BC2D2E2F10_tP19_99_c_a_ab_ab_c_ab2d:K-Mg-Na-Nb-Nd-O,19.0,"Invalid WP multiplicities - A2BC2D2E2F10_tP19_99_c_a_ab_ab_c_ab4d:K-Mg-Na-Nb-Nd-O, expected K2Na2Nd2MgNb2O18 to be K2Na2Nd2MgNb2O10" +mp-1233021,K2Nd4MgNb2O12,-7.9160393714,-3.0371564053,0.2236276215,0.2236276215,GGA,P1,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Mg-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Mg-Nb-Nd-O, expected K2Nd4MgNb2O22 to be K2Nd4MgNb2O12" +mp-1233041,K2Nd4MgNb2O12,-8.0045463052,-3.1256633391,0.1351206877,0.1351206877,GGA,P1,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Mg-Nb-Nd-O,21.0,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Mg-Nb-Nd-O +mp-1233263,K2Nd4MgNb2O12,-7.957544229,-3.0786612629,0.1821227639,0.1821227639,GGA,P1,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Mg-Nb-Nd-O,21.0,A2BC2D4E12_aP21_1_2a_a_2a_4a_12a:K-Mg-Nb-Nd-O +mp-1233154,K2Nd4MgNb2O12,-7.9329378495,-3.0540548834,0.2067291434,0.2067291434,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Mg-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Mg-Nb-Nd-O, expected K2Nd4MgNb2O22 to be K2Nd4MgNb2O12" +mp-2216494,K2Nd4MgNb2O12,-7.9212442057,-3.0423612396,0.2184227872,0.2184227872,GGA,Cm,A2BC2D4E12_mC42_8_2a_a_2a_4a_2a5b:K-Mg-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_8_2a_a_2a_4a_2a10b:K-Mg-Nb-Nd-O, expected K2Nd4MgNb2O22 to be K2Nd4MgNb2O12" +mp-1233026,K2Nd4MgNb2O12,-8.0266033119,-3.1477203458,0.113063681,0.113063681,GGA,C2/m,A2BC2D4E12_mC42_12_i_a_i_2i_hi2j:K-Mg-Nb-Nd-O,21.0,"Invalid WP multiplicities - A2BC2D4E12_mC42_12_i_a_i_3i_2hi6j:K-Mg-Nb-Nd-O, expected K2Nd6MgNb2O30 to be K2Nd4MgNb2O12" +mp-1201519,K2Na2Nd4Nb2O13,-7.8964332183,-3.1813027166,0.0,-0.0060370549,GGA,C2/c,A2B2C2D4E13_mC92_15_f_f_f_2f_e6f:K-Na-Nb-Nd-O,46.0,A2B2C2D4E13_mC92_15_f_f_f_2f_e6f:K-Na-Nb-Nd-O +mp-558212,KNaNdNbO5,-7.6772887317,-3.0066420351,0.0,-0.0363106136,GGA,P4/nmm,ABCDE5_tP18_129_a_c_c_b_cj:K-Na-Nb-Nd-O,18.0,"Invalid WP multiplicities - ABCDE5_tP18_129_a_c_c_b_2c3j:K-Na-Nb-Nd-O, expected KNaNdNbO14 to be KNaNdNbO5" +mp-2713227,Na2TiGa(PO4)3,-7.4656304511,-2.7725351521,0.0219681504,0.0219681504,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ga-Na-O-P-Ti,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ga-Na-O-P-Ti, expected Na2TiGa(PO4)18 to be Na2TiGa(PO4)3" +mp-2714663,Na3Ti3Ga(PO4)6,-7.808227979,-2.8924849503,0.0128856106,0.0128856106,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Ti,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Ti +mp-2714751,Na7Ti2Ga2Si3(PO8)3,-7.2381397576,-2.7907923476,0.0501273073,0.0501273073,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Ti,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Ti +mp-2716018,Na5Ti2Ga2SiP5O24,-7.3831479071,-2.7761693897,0.0359258433,0.0359258433,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Ti +mp-2716381,Na5TiGa3(PO4)6,-7.1442465125,-2.6623811109,0.0269404338,0.0269404338,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Ti,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Ti +mp-2715505,Na3TiGaSi(PO6)2,-7.3066068165,-2.7814392416,0.0460141475,0.0460141475,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ga-Na-O-P-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Ga-Na-O-P-Si-Ti, expected Na14Ti3Ga3Si3(P5O36)2 to be Na3TiGaSi(PO6)2" +mp-2715361,Na3TiGaSi(PO6)2,-7.3051763906,-2.7800088157,0.0474445733,0.0474445733,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ga-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ga-Na-O-P-Si-Ti, expected Na3TiGaSi(PO15)2 to be Na3TiGaSi(PO6)2" +mp-2715821,Na4TiGaSi2PO12,-7.1641851271,-2.7909521598,0.0543589465,0.0543589465,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ga-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Ga-Na-O-P-Si-Ti, expected Na19TiGaSi12PO72 to be Na4TiGaSi2PO12" +mp-1196126,Na4Be2Si6SnO20,-7.1218782847,-2.62902431,0.1338018172,0.1338018172,GGA,Cc,A2B4C20D6E_mC132_9_2a_4a_20a_6a_a:Be-Na-O-Si-Sn,66.0,A2B4C20D6E_mC132_9_2a_4a_20a_6a_a:Be-Na-O-Si-Sn +mp-1041318,Be3Si3(SnO6)2,-7.46513767,-2.7214576235,0.1615434492,0.1615434492,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Be-O-Si-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_4e_17e_3e_2e:Be-O-Si-Sn, expected Be4Si3Sn2O17 to be Be3Si3(SnO6)2" +mp-1267034,Be3Si3(SnO6)2,-7.4796018406,-2.7359217941,0.1470792786,0.1470792786,GGA,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Be-O-Si-Sn,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_4e_17e_3e_2e:Be-O-Si-Sn, expected Be4Si3Sn2O17 to be Be3Si3(SnO6)2" +mp-706336,Na4Be2Si6Sn(HO5)4,-7.0508402338,-2.6769190083,0.0,-0.0048761347,GGA,C2/c,A2B4C4D20E6F_mC148_15_2e_2f_2f_10f_3f_c:Be-H-Na-O-Si-Sn,74.0,A2B4C4D20E6F_mC148_15_2e_2f_2f_10f_3f_a:Be-H-Na-O-Si-Sn +mp-1220863,NaBeSi3HO8,-7.5201440198,-2.926992021,0.0011414971,-0.0008797334,GGA,P-1,ABCD8E3_aP56_2_2i_2i_2i_16i_6i:Be-H-Na-O-Si,56.0,"Invalid WP multiplicities - ABCD8E3_aP56_2_4i_2i_4i_30i_12i:Be-H-Na-O-Si, expected Na2Be2Si6HO15 to be NaBeSi3HO8" +mp-556001,NaBeSi3HO8,-7.521285517,-2.9281335181,0.0,-0.0020212305,GGA,Pnma,ABCD8E3_oP112_62_d_2c_d_4c6d_3d:Be-H-Na-O-Si,112.0,"Invalid WP multiplicities - ABCD8E3_oP112_62_d_4c_d_16c45d_13d:Be-H-Na-O-Si, expected NaBeSi13H2O53 to be NaBeSi3HO8" +mp-1198346,Na2BeSi4(H4O7)2,-6.6068212593,-2.3143665735,0.0171120579,0.0171120579,GGA,P2_12_12_1,AB8C2D14E4_oP116_19_a_8a_2a_14a_4a:Be-H-Na-O-Si,116.0,AB8C2D14E4_oP116_19_a_8a_2a_14a_4a:Be-H-Na-O-Si +mp-770952,Li4Co3Ni(PO4)4,-7.2082043039,-2.3674539133,0.0306019258,0.0306019258,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Co-Li-Ni-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Co-Li-Ni-O-P +mp-779007,Li10Fe2Co3Ni3O16,-6.1824242035,-1.6576696773,0.1138522582,0.1138522582,GGA+U,P1,A3B2C10D3E16_aP34_1_3a_2a_10a_3a_16a:Co-Fe-Li-Ni-O,34.0,A3B2C10D3E16_aP34_1_3a_2a_10a_3a_16a:Co-Fe-Li-Ni-O +mp-780179,Li7FeCo3(PO4)6,-7.0524345793,-2.3120009507,0.1378176398,0.1378176398,GGA+U,R3,A3BC7D24E6_hR123_146_3a_a_a2b_8b_2b:Co-Fe-Li-O-P,41.0,"Invalid WP multiplicities - A3BC7D24E6_hR123_146_3a_a_a3b_24b_2b:Co-Fe-Li-O-P, expected Li10FeCo3(PO12)6 to be Li7FeCo3(PO4)6" +mp-770497,Fe3CoNi2(PO4)6,-7.5715364167,-2.1471197807,0.0504586002,0.0504586002,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Co-Fe-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Co-Fe-Ni-O-P, expected Fe3CoNi2(PO11)6 to be Fe3CoNi2(PO4)6" +mp-758190,Fe3Co2Ni(PO4)6,-7.5759595331,-2.1146489772,0.0919405741,0.0919405741,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Co-Fe-Ni-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_20b_2b:Co-Fe-Ni-O-P, expected Fe3Co2Ni(PO10)6 to be Fe3Co2Ni(PO4)6" +mp-774312,Li4CoNi5(PO4)6,-7.0550977387,-2.1839718195,0.0950895473,0.0950895473,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Co-Li-Ni-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Co-Li-Ni-O-P +mp-1177467,Li4FeCo2Ni3(PO4)6,-7.18404528,-2.2124677196,0.1196608881,0.1196608881,GGA+U,P1,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Fe-Li-Ni-O-P,40.0,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Fe-Li-Ni-O-P +mp-744651,Li9FeCo12(PO4)12,-6.6002547717,-1.5593910062,0.8049841523,0.8049841523,GGA+U,P-1,A12BC9D48E12_aP82_2_6i_a_e4i_24i_6i:Co-Fe-Li-O-P,82.0,"Invalid WP multiplicities - A12BC9D48E12_aP82_2_10i_a_e8i_46i_10i:Co-Fe-Li-O-P, expected Li17FeCo20(P5O23)4 to be Li9FeCo12(PO4)12" +mp-757363,Li6Fe3Co(PO4)6,-7.2962387775,-2.4169322091,0.058854447,0.058854447,GGA+U,P1,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Co-Fe-Li-O-P,40.0,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Co-Fe-Li-O-P +mp-758853,Li4Fe3Co(PO4)4,-7.4860034618,-2.4519212368,0.010956822,0.010956822,GGA+U,Pm,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Fe-Li-O-P,28.0,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Fe-Li-O-P +mp-758132,Li5Fe3Co2(PO4)6,-7.3910867912,-2.3817953497,0.065521496,0.065521496,GGA+U,P1,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Co-Fe-Li-O-P,40.0,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Co-Fe-Li-O-P +mp-760302,Li4Fe3Co3(NiO8)2,-6.6572917375,-1.475934551,0.0567133324,0.0567133324,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Co-Fe-Li-Ni-O, expected Li4Fe3Co3(NiO10)2 to be Li4Fe3Co3(NiO8)2" +mp-780785,Li8Fe7Co(PO4)12,-7.4344295332,-2.3808698303,0.0240920111,0.0240920111,GGA+U,P1,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Co-Fe-Li-O-P,76.0,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Co-Fe-Li-O-P +mp-1177049,Li6Co3Ni(PO4)6,-7.0214277215,-2.2774534371,0.0798924858,0.0798924858,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Ni-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Ni-O-P +mp-774318,Li10Fe3Co3(NiO8)2,-6.2964847903,-1.6926160132,0.1278446737,0.1278446737,GGA+U,P1,A3B3C10D2E16_aP34_1_3a_3a_10a_2a_16a:Co-Fe-Li-Ni-O,34.0,A3B3C10D2E16_aP34_1_3a_3a_10a_2a_16a:Co-Fe-Li-Ni-O +mp-778201,Li10Fe3Co2Ni3O16,-6.2654535926,-1.7006489660000002,0.093579116,0.093579116,GGA+U,P1,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Fe-Li-Ni-O,34.0,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Fe-Li-Ni-O +mp-863409,Li4FeCo3(PO4)4,-7.3351578704,-2.3983401751,0.0284276309,0.0284276309,GGA+U,Pm,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Co-Fe-Li-O-P,28.0,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Co-Fe-Li-O-P +mp-757611,Li2CoNi(PO4)2,-7.1653248736,-2.3720095227,0.0153894759,0.0153894759,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Co-Li-Ni-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Co-Li-Ni-O-P +mp-850408,Li4CoNi3(PO4)4,-7.1101791304,-2.3642988193,0.0124433388,0.0124433388,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Co-Li-Ni-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Co-Li-Ni-O-P +mp-768625,Li6FeCo3(PO4)6,-7.117694031,-2.3064726334,0.0990045792,0.0990045792,GGA+U,P1,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Co-Fe-Li-O-P,40.0,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Co-Fe-Li-O-P +mp-766568,Li4Co3Ni3(PO4)6,-7.079283726,-2.141748751,0.1522321924,0.1522321924,GGA+U,P1,A3B4C3D24E6_aP40_1_3a_4a_3a_24a_6a:Co-Li-Ni-O-P,40.0,A3B4C3D24E6_aP40_1_3a_4a_3a_24a_6a:Co-Li-Ni-O-P +mp-753758,Li4Fe3Co2Ni3O16,-6.3445702196,-1.210648073,0.2851365367,0.2851365367,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Co-Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Co-Fe-Li-Ni-O, expected Li4Fe3Co2Ni3O20 to be Li4Fe3Co2Ni3O16" +mp-774891,Li4Fe2Co3Ni3O16,-6.5108180786,-1.4255281967,0.0426913972,0.0426913972,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Co-Fe-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Co-Fe-Li-Ni-O, expected Li4Fe2Co3Ni3O20 to be Li4Fe2Co3Ni3O16" +mp-775102,Li7Fe3Co(PO4)6,-7.270916752,-2.4640585665,0.0509556379,0.0509556379,GGA+U,R3,AB3C7D24E6_hR123_146_a_3a_a2b_8b_2b:Co-Fe-Li-O-P,41.0,"Invalid WP multiplicities - AB3C7D24E6_hR123_146_a_3a_a5b_24b_6b:Co-Fe-Li-O-P, expected Li16Fe3Co(PO4)18 to be Li7Fe3Co(PO4)6" +mp-2714593,Na14Zn8Si3(S3O16)3,-6.0151653851,-2.1183560678,0.1089259929,0.1089259929,GGA,P1,A14B48C9D3E8_aP246_1_42a_144a_27a_9a_24a:Na-O-S-Si-Zn,246.0,A14B48C9D3E8_aP246_1_42a_144a_27a_9a_24a:Na-O-S-Si-Zn +mp-2712942,Na4Zn2Si(SO6)2,-6.0135408245,-2.1626803154,0.1276109869,0.1276109869,GGA,Cc,A4B12C2DE2_mC252_9_12a_36a_6a_3a_6a:Na-O-S-Si-Zn,126.0,"Invalid WP multiplicities - A4B12C2DE2_mC252_9_18a_60a_9a_3a_6a:Na-O-S-Si-Zn, expected Na6Zn2SiS3O20 to be Na4Zn2Si(SO6)2" +mp-2713568,Na10Zn8SiS11O48,-6.0210020176,-2.0252260366,0.0632947271,0.0632947271,GGA,P1,A10B48C11DE8_aP234_1_30a_144a_33a_3a_24a:Na-O-S-Si-Zn,234.0,A10B48C11DE8_aP234_1_30a_144a_33a_3a_24a:Na-O-S-Si-Zn +mp-2713930,Na6Zn4SiS5O24,-6.0207732206,-2.0757176547,0.0854047024,0.0854047024,GGA,P1,A6B24C5DE4_aP120_1_18a_72a_15a_3a_12a:Na-O-S-Si-Zn,120.0,A6B24C5DE4_aP120_1_18a_72a_15a_3a_12a:Na-O-S-Si-Zn +mp-2713723,Na6Ca2Zn2SiS5O24,-6.2613240713,-2.2789756919,0.1123529117,0.1123529117,GGA,P1,A2B6C24D5EF2_aP120_1_6a_18a_72a_15a_3a_6a:Ca-Na-O-S-Si-Zn,120.0,A2B6C24D5EF2_aP120_1_6a_18a_72a_15a_3a_6a:Ca-Na-O-S-Si-Zn +mp-7204,CaZnSO,-5.2617812137,-2.1746606967,0.0102327802,0.0102327802,GGA,P6_3mc,ABCD_hP8_186_b_a_b_a:Ca-O-S-Zn,8.0,ABCD_hP8_186_b_a_b_a:Ca-O-S-Zn +mp-2712867,Na4CaZnSi(SO6)2,-6.2435378201,-2.3571603457,0.1089454256,0.1089454256,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ca-Na-O-S-Si-Zn,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ca-Na-O-S-Si-Zn +mp-2714428,Na14Ca4Zn4Si3(S3O16)3,-6.2542298502,-2.3210373002,0.1085918039,0.1085918039,GGA,P1,A4B14C48D9E3F4_aP246_1_12a_42a_144a_27a_9a_12a:Ca-Na-O-S-Si-Zn,246.0,A4B14C48D9E3F4_aP246_1_12a_42a_144a_27a_9a_12a:Ca-Na-O-S-Si-Zn +mp-2714882,Na2CaZn(SO4)3,-6.3111990313,-2.2227775464,0.0369240807,0.0369240807,GGA,P1,AB2C12D3E_aP114_1_6a_12a_72a_18a_6a:Ca-Na-O-S-Zn,114.0,AB2C12D3E_aP114_1_6a_12a_72a_18a_6a:Ca-Na-O-S-Zn +mp-2713613,Na10Ca4Zn4SiS11O48,-6.2836187481,-2.2495937276,0.0778470023,0.0778470023,GGA,P1,A4B10C48D11EF4_aP234_1_12a_30a_144a_33a_3a_12a:Ca-Na-O-S-Si-Zn,234.0,A4B10C48D11EF4_aP234_1_12a_30a_144a_33a_3a_12a:Ca-Na-O-S-Si-Zn +mp-2713180,Na10Ti5Zn3Si6(SO8)6,-7.0461627993,-2.5423985766,0.1182390648,0.1182390648,GGA,P1,A10B48C6D6E5F3_aP234_1_30a_144a_18a_18a_15a_9a:Na-O-S-Si-Ti-Zn,234.0,A10B48C6D6E5F3_aP234_1_30a_144a_18a_18a_15a_9a:Na-O-S-Si-Ti-Zn +mp-2714612,Na2Ti2Zn2SiS5O24,-6.8858140897,-2.2807135821,0.0388353056,0.0388353056,GGA,P1,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Ti-Zn,108.0,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Ti-Zn +mp-2716558,Na2Ti6Zn2Si3(S3O16)3,-7.3656951569,-2.458801572,0.0313803027,0.0313803027,GGA,P1,A2B48C9D3E6F2_aP210_1_6a_144a_27a_9a_18a_6a:Na-O-S-Si-Ti-Zn,210.0,A2B48C9D3E6F2_aP210_1_6a_144a_27a_9a_18a_6a:Na-O-S-Si-Ti-Zn +mp-2713926,Na6Ti4Zn4Si3(S3O16)3,-6.876761902,-2.342962506,0.0618513991,0.0618513991,GGA,P1,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Ti-Zn,222.0,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Ti-Zn +mp-531696,Ti9ZnS16,-6.9486679994,-1.6216537829000002,0.0132476246,0.0132476246,GGA,Pc,A16B9C_mP52_7_16a_9a_a:S-Ti-Zn,52.0,"Invalid WP multiplicities - A16B9C_mP52_7_32a_18a_a:S-Ti-Zn, expected Ti18ZnS32 to be Ti9ZnS16" +mp-2714597,Na4TiZnSi2SO12,-6.7869270729,-2.5587038699,0.1069596104,0.1069596104,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-S-Si-Ti-Zn,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_14a_60a_a_7a_a_a:Na-O-S-Si-Ti-Zn, expected Na14TiZnSi7SO60 to be Na4TiZnSi2SO12" +mp-2714687,Na2Ti3Zn5(SO4)12,-6.6577041729,-2.0904370125,0.0,-0.0063066964,GGA,P1,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-S-Ti-Zn,210.0,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-S-Ti-Zn +mp-2715759,Na14Ti4Zn4Si7S5O48,-6.8238857848,-2.5405098055,0.0984086219,0.0984086219,GGA,P1,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Zn,246.0,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Zn +mp-1330582,Ti2ZnS5,-5.8691975706,-1.1525754484,0.3193167626,0.3193167626,GGA,Pmmn,A5B2C_oP16_59_a2e_e_b:S-Ti-Zn,16.0,A5B2C_oP16_59_a2e_e_b:S-Ti-Zn +mp-2713008,Ti3ZnSiS5O24,-7.375018549,-2.3816563109,0.010538634,0.010538634,GGA,P1,A24B5CD3E_aP102_1_72a_15a_3a_9a_3a:O-S-Si-Ti-Zn,102.0,A24B5CD3E_aP102_1_72a_15a_3a_9a_3a:O-S-Si-Ti-Zn +mp-2715076,Na10Ti4Zn4Si5S7O48,-6.8216332161,-2.4194666417,0.1273574411,0.1273574411,GGA,P1,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Zn,234.0,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Zn +mp-2715996,Na14Ti2Zn6Si5S7O48,-6.4038732633,-2.313780615,0.1300248012,0.1300248012,GGA,P1,A14B48C7D5E2F6_aP246_1_42a_144a_21a_15a_6a_18a:Na-O-S-Si-Ti-Zn,246.0,A14B48C7D5E2F6_aP246_1_42a_144a_21a_15a_6a_18a:Na-O-S-Si-Ti-Zn +mp-2714022,Na2Ti4Zn4SiS11O48,-6.8910263248,-2.2105503562,0.0131349437,0.0131349437,GGA,P1,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Ti-Zn,210.0,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Ti-Zn +mp-2714971,Na6TiZn7(SO4)12,-6.2300636715,-2.0175325149,0.0145611132,0.0145611132,GGA,P1,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-S-Ti-Zn,222.0,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-S-Ti-Zn +mp-2712820,Na6Ti2Zn6SiS11O48,-6.4405345058,-2.120913936,0.0372253693,0.0372253693,GGA,P1,A6B48C11DE2F6_aP222_1_18a_144a_33a_3a_6a_18a:Na-O-S-Si-Ti-Zn,222.0,A6B48C11DE2F6_aP222_1_18a_144a_33a_3a_6a_18a:Na-O-S-Si-Ti-Zn +mp-2713749,TiZn(SO4)3,-6.8738230737,-2.1135377936,0.0,-0.0216097917,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-S-Ti-Zn,102.0,"Invalid WP multiplicities - A12B3CD_hR102_161_12b_b_a_a:O-S-Ti-Zn, expected TiZn(SO12)3 to be TiZn(SO4)3" +mp-2714664,Na10Ti2Zn6Si3(S3O16)3,-6.4238281427,-2.224856865,0.0943401004,0.0943401004,GGA,P1,A10B48C9D3E2F6_aP234_1_30a_144a_27a_9a_6a_18a:Na-O-S-Si-Ti-Zn,234.0,A10B48C9D3E2F6_aP234_1_30a_144a_27a_9a_6a_18a:Na-O-S-Si-Ti-Zn +mp-2713451,Na4TiZn3SiS5O24,-6.4296630938,-2.1719546607,0.0734534664,0.0734534664,GGA,P1,A4B24C5DEF3_aP114_1_12a_72a_15a_3a_3a_9a:Na-O-S-Si-Ti-Zn,114.0,A4B24C5DEF3_aP114_1_12a_72a_15a_3a_3a_9a:Na-O-S-Si-Ti-Zn +mp-2712684,Na2Ti3ZnSi2(SO6)4,-7.3431799375,-2.5179511918,0.0551243678,0.0551243678,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-S-Si-Ti-Zn,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-S-Si-Ti-Zn +mp-2714063,Na2TiZn3(SO4)6,-6.4392790238,-2.0543067542,0.0061482413,0.0061482413,GGA,P3,A2B24C6DE3_hP108_143_2a2b2c_24d_6d_2ab_2a3b4c:Na-O-S-Ti-Zn,108.0,A2B24C6DE3_hP108_143_2a2b2c_24d_6d_2ab_2a3b4c:Na-O-S-Ti-Zn +mp-2714352,Na6Ti3ZnSi4(SO12)2,-7.2458439248,-2.7064421161,0.0985439562,0.0985439562,GGA,P1,A6B24C2D4E3F_aP120_1_18a_72a_6a_12a_9a_3a:Na-O-S-Si-Ti-Zn,120.0,A6B24C2D4E3F_aP120_1_18a_72a_6a_12a_9a_3a:Na-O-S-Si-Ti-Zn +mp-13810,Na2TiZn2SiO7,-6.7136307552000005,-2.6280793066,0.0005477167,0.0005477167,GGA,Pbca,A2B7CDE2_oP104_61_2c_7c_c_c_2c:Na-O-Si-Ti-Zn,104.0,"Invalid WP multiplicities - A2B7CDE2_oP104_61_5c_10c_c_c_3c:Na-O-Si-Ti-Zn, expected Na5TiZn3SiO10 to be Na2TiZn2SiO7" +mp-2716167,Na8Ti3ZnSi5SO24,-7.2065692728,-2.7896647229,0.0634004987,0.0634004987,GGA,P1,A8B24CD5E3F_aP126_1_24a_72a_3a_15a_9a_3a:Na-O-S-Si-Ti-Zn,126.0,A8B24CD5E3F_aP126_1_24a_72a_3a_15a_9a_3a:Na-O-S-Si-Ti-Zn +mp-2716019,Na10Ti6Zn2Si7S5O48,-7.2717747288,-2.6664128577,0.1080383424,0.1080383424,GGA,P1,A10B48C5D7E6F2_aP234_1_30a_144a_15a_21a_18a_6a:Na-O-S-Si-Ti-Zn,234.0,A10B48C5D7E6F2_aP234_1_30a_144a_15a_21a_18a_6a:Na-O-S-Si-Ti-Zn +mp-2716250,Na6Ti2Zn2Si3(SO8)3,-6.8036761034,-2.4623897091,0.1426055268,0.1426055268,GGA,P1,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Zn,120.0,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Zn +mp-1045350,Ti2ZnS4,-6.1481514821,-1.3486476092,0.1742641665,0.1742641665,GGA,Imma,A4B2C_oI28_74_hi_ac_b:S-Ti-Zn,14.0,"Invalid WP multiplicities - A4B2C_oI28_74_4h3i_2a2c_b:S-Ti-Zn, expected Ti4ZnS14 to be Ti2ZnS4" +mp-1410970,Ti2ZnS4,-6.27397536,-1.474471487,0.0484402887,0.0484402887,GGA,Fd-3m,A4B2C_cF56_227_e_c_b:S-Ti-Zn,14.0,A4B2C_cF56_227_e_c_b:S-Ti-Zn +mp-1387289,Ti4ZnS8,-6.5820367892,-1.5102436653,0.0613814774,0.0613814774,GGA,R-3m,A8B4C_hR39_166_ch_bd_a:S-Ti-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_bd_a:S-Ti-Zn, expected Ti4ZnS14 to be Ti4ZnS8" +mp-1387459,Ti4ZnS8,-6.55479398,-1.483000856,0.0886242866,0.0886242866,GGA,R-3m,A8B4C_hR39_166_ch_ad_b:S-Ti-Zn,13.0,"Invalid WP multiplicities - A8B4C_hR39_166_c2h_ad_b:S-Ti-Zn, expected Ti4ZnS14 to be Ti4ZnS8" +mp-2716011,Na6Ti6Zn2Si5S7O48,-7.3083072137,-2.5603289915,0.0877878564,0.0877878564,GGA,P1,A6B48C7D5E6F2_aP222_1_18a_144a_21a_15a_18a_6a:Na-O-S-Si-Ti-Zn,222.0,A6B48C7D5E6F2_aP222_1_18a_144a_21a_15a_18a_6a:Na-O-S-Si-Ti-Zn +mp-2713322,Na4Ti3ZnSi3(SO8)3,-7.2934265496,-2.618633034,0.1005755607,0.1005755607,GGA,P1,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Si-Ti-Zn,114.0,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Si-Ti-Zn +mp-2714198,Na14Ti3Zn5Si6(SO8)6,-6.6016530184,-2.4149187046,0.1264432172,0.1264432172,GGA,P1,A14B48C6D6E3F5_aP246_1_42a_144a_18a_18a_9a_15a:Na-O-S-Si-Ti-Zn,246.0,A14B48C6D6E3F5_aP246_1_42a_144a_18a_18a_9a_15a:Na-O-S-Si-Ti-Zn +mp-2714717,Na14Ti6Zn2Si9(SO16)3,-7.2269623128,-2.7503030026,0.0810706179,0.0810706179,GGA,P1,A14B48C3D9E6F2_aP246_1_42a_144a_9a_27a_18a_6a:Na-O-S-Si-Ti-Zn,246.0,A14B48C3D9E6F2_aP246_1_42a_144a_9a_27a_18a_6a:Na-O-S-Si-Ti-Zn +mp-2714648,Na6Ti7ZnSi6(SO8)6,-7.5570846832,-2.7020170479,0.066065443,0.066065443,GGA,P1,A6B48C6D6E7F_aP222_1_18a_144a_18a_18a_21a_3a:Na-O-S-Si-Ti-Zn,222.0,A6B48C6D6E7F_aP222_1_18a_144a_18a_18a_21a_3a:Na-O-S-Si-Ti-Zn +mp-2713578,Na2TiZnSi(SO6)2,-6.8424237882,-2.3761728138,0.1094184763,0.1094184763,GGA,Cc,A2B12C2DEF_mC228_9_6a_36a_6a_3a_3a_3a:Na-O-S-Si-Ti-Zn,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC228_9_6a_60a_9a_3a_3a_3a:Na-O-S-Si-Ti-Zn, expected Na2TiZnSiS3O20 to be Na2TiZnSi(SO6)2" +mp-2712791,Na6TiZn3Si2(SO6)4,-6.4103826332,-2.267211653,0.1158471434,0.1158471434,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-S-Si-Ti-Zn,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-S-Si-Ti-Zn +mp-2715109,Na8TiZn3Si3(SO8)3,-6.3972538071,-2.357711951,0.1202654403,0.1202654403,GGA,P1,A8B24C3D3EF3_aP126_1_24a_72a_9a_9a_3a_9a:Na-O-S-Si-Ti-Zn,126.0,A8B24C3D3EF3_aP126_1_24a_72a_9a_9a_3a_9a:Na-O-S-Si-Ti-Zn +mp-2716285,Na2Ti4Al4Si3(S3O16)3,-7.4009559278,-2.5416075992,0.0460883273,0.0460883273,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Ti,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Ti +mp-2712949,Ti2Al2SiS5O24,-7.4157403676,-2.4713217757,0.03211549,0.03211549,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Ti,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Ti +mp-2714673,Na3Ti3AlSi3(SO8)3,-7.5731263358,-2.7405463217,0.0733622188,0.0733622188,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Ti,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Ti +mp-2714372,Na3TiAlSi2SO12,-7.2881341821,-2.7903344726,0.1058915225,0.1058915225,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Al-Na-O-S-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Al-Na-O-S-Si-Ti, expected Na13TiAlSi7SO72 to be Na3TiAlSi2SO12" +mp-2713582,Na4Ti2Al2Si3(SO8)3,-7.333418038,-2.7024162057,0.0913125451,0.0913125451,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Ti,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Ti +mp-2715846,Na10Ti4Al4Si7S5O48,-7.3043810196,-2.7416879683,0.1104047211,0.1104047211,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Ti,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Ti +mp-2715107,Na14Ti4Al4Si9(SO16)3,-7.2656688026,-2.8295969062,0.0917209717,0.0917209717,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Ti,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Ti +mp-2715665,Na8Ti2Al2Si5SO24,-7.2436844825,-2.8664009794,0.0744140027,0.0744140027,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Ti,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Ti +mp-2712764,NaTiAlSi(SO6)2,-7.391747004,-2.6127428129,0.0545307377,0.0545307377,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Al-Na-O-S-Si-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Al-Na-O-S-Si-Ti, expected NaTiAlSiS3O20 to be NaTiAlSi(SO6)2" +mp-2716108,Na6Ti4Al4Si5S7O48,-7.35156337,-2.6485603902,0.0836496145,0.0836496145,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Ti,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Ti +mp-2716559,Na5TiAl3Si3(SO8)3,-7.0978293492,-2.658068356,0.1165154661,0.1165154661,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Ti +mp-560214,MoPCl8O,-4.6307102427,-1.3585343693,0.0738938948,0.0738938948,GGA+U,Pnma,A8BCD_oP44_62_4c2d_c_c_c:Cl-Mo-O-P,44.0,"Invalid WP multiplicities - A8BCD_oP44_62_16c13d_c_c_c:Cl-Mo-O-P, expected MoPCl42O to be MoPCl8O" +mp-23397,MoPCl9,-4.21039233,-1.219866643,0.0005956803,0.0005956803,GGA,P-1,A9BC_aP22_2_9i_i_i:Cl-Mo-P,22.0,A9BC_aP22_2_9i_i_i:Cl-Mo-P +mp-699932,Ba3Li2Mo4P6(ClO14)2,-7.7027551691,-2.6440542075,0.0038005181,0.0038005181,GGA+U,P2_12_12_1,A3B2C2D4E28F6_oP180_19_3a_2a_2a_4a_28a_6a:Ba-Cl-Li-Mo-O-P,180.0,"Invalid WP multiplicities - A3B2C2D4E28F6_oP180_19_9a_5a_4a_13a_112a_21a:Ba-Cl-Li-Mo-O-P, expected Ba9Li4Mo13P21Cl5O112 to be Ba3Li2Mo4P6(ClO14)2" +mp-555695,MoP(Cl3O)2,-5.2477680288,-1.5234130288,0.1069247152,0.1069247152,GGA+U,P2_1/c,A6BC2D_mP40_14_6e_e_2e_e:Cl-Mo-O-P,40.0,"Invalid WP multiplicities - A6BC2D_mP40_14_18e_e_4e_e:Cl-Mo-O-P, expected MoP(Cl9O2)2 to be MoP(Cl3O)2" +mp-553968,MoPCl5O3,-5.6183950484,-1.5842248433,0.1612239382,0.1612239382,GGA+U,P2_1/c,A5BC3D_mP80_14_10e_2e_6e_2e:Cl-Mo-O-P,80.0,"Invalid WP multiplicities - A5BC3D_mP80_14_38e_5e_22e_7e:Cl-Mo-O-P, expected Mo5P7(Cl19O11)2 to be MoPCl5O3" +mp-1025778,Te2Mo2W(SeS)2,-7.0886245078,-0.8440950716000001,0.0854566817,0.0854566817,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2a_2b_b:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2a_2b_b:Mo-S-Se-Te-W +mp-1025772,Te2Mo2W(SeS)2,-7.0887166456,-0.8441872094,0.0853645439,0.0853645439,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2b_2a_b:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2b_2a_b:Mo-S-Se-Te-W +mp-1025810,Te2Mo2W(SeS)2,-7.0890791589,-0.8445497227000001,0.0850020306,0.0850020306,GGA,P3m1,A2B2C2D2E_hP9_156_2b_2b_2a_2a_a:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_2b_2b_2a_2a_a:Mo-S-Se-Te-W +mp-1025881,Te2Mo2W(SeS)2,-7.0409583978,-0.7964289616,0.1331227917,0.1331227917,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2b_2b_a:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2b_2b_a:Mo-S-Se-Te-W +mp-1025933,Te2Mo2W(SeS)2,-7.0677353522,-0.823205916,0.1063458372,0.1063458372,GGA,P3m1,A2B2C2D2E_hP9_156_2b_2a_2b_2a_a:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_2b_2a_2b_2a_a:Mo-S-Se-Te-W +mp-1025956,Te2Mo2W(SeS)2,-7.0404612022,-0.795931766,0.1336199872,0.1336199872,GGA,P3m1,A2B2C2D2E_hP9_156_2b_2a_2a_2b_a:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_2b_2a_2a_2b_a:Mo-S-Se-Te-W +mp-1026016,Te2Mo2W(SeS)2,-7.0689419067,-0.8244124705,0.1051392828,0.1051392828,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2a_2b_b:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2a_2b_b:Mo-S-Se-Te-W +mp-1026027,Te2Mo2W(SeS)2,-7.0402752456,-0.7957458094000001,0.1338059439,0.1338059439,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2b_2a_b:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2b_2a_b:Mo-S-Se-Te-W +mp-1025731,Te2Mo2W(SeS)2,-7.0687757078,-0.8242462716000001,0.1053054817,0.1053054817,GGA,P3m1,A2B2C2D2E_hP9_156_ab_2a_2b_2b_a:Mo-S-Se-Te-W,9.0,A2B2C2D2E_hP9_156_ab_2a_2b_2b_a:Mo-S-Se-Te-W +mp-2219672,MgTe4MoW3(SeS)2,-6.6244037577,-0.5353062875,0.2974692292,0.2974692292,GGA,P1,ABC2D2E4F3_aP13_1_a_a_2a_2a_4a_3a:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_aP13_1_a_a_2a_2a_4a_3a:Mg-Mo-S-Se-Te-W +mp-2219411,MgTe4MoW3(SeS)2,-6.6565238638,-0.5674263937,0.2653491231,0.2653491231,GGA,P1,ABC2D2E4F3_aP13_1_a_a_2a_2a_4a_3a:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_aP13_1_a_a_2a_2a_4a_3a:Mg-Mo-S-Se-Te-W +mp-2219093,MgTe4MoW3(SeS)2,-6.6547651008,-0.5656676306,0.2671078862,0.2671078862,GGA,P3m1,ABC2D2E4F3_hP13_156_a_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_a_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W +mp-2220074,MgTe4MoW3(SeS)2,-6.6750687862,-0.5859713160000001,0.2468042008,0.2468042008,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2a_2a_4b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2a_2a_4b_a2b:Mg-Mo-S-Se-Te-W +mp-2218819,MgTe4MoW3(SeS)2,-6.6564247969,-0.5673273267,0.26544819,0.26544819,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2b_2b_4a_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2b_2b_4a_a2b:Mg-Mo-S-Se-Te-W +mp-2219003,MgTe4MoW3(SeS)2,-6.6483318515,-0.5592343814,0.2735411354,0.2735411354,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W +mp-2219383,MgTe4MoW3(SeS)2,-6.6738843569,-0.5847868867,0.24798863,0.24798863,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2a_2b_2a2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2a_2b_2a2b_a2b:Mg-Mo-S-Se-Te-W +mp-2219799,MgTe4MoW3(SeS)2,-6.6498712969,-0.5607738267,0.27200169,0.27200169,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2b_2a_2a2b_a2b:Mg-Mo-S-Se-Te-W +mp-2220021,MgTe4MoW3(SeS)2,-6.67909012,-0.5899926498,0.2427828669,0.2427828669,GGA,P3m1,ABC2D2E4F3_hP13_156_a_b_2b_2a_2a2b_2ab:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_a_b_2b_2a_2a2b_2ab:Mg-Mo-S-Se-Te-W +mp-2219825,MgTe4MoW3(SeS)2,-6.6776090438,-0.5885115737000001,0.2442639431,0.2442639431,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2a_2b_2a2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2a_2b_2a2b_a2b:Mg-Mo-S-Se-Te-W +mp-2219378,MgTe4MoW3(SeS)2,-6.6389043523,-0.5498068821000001,0.2829686346,0.2829686346,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2b_2b_4a_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2b_2b_4a_a2b:Mg-Mo-S-Se-Te-W +mp-2226452,MgTe4MoW3(SeS)2,-6.6751016215,-0.5860041514000001,0.2467713654,0.2467713654,GGA,P3m1,ABC2D2E4F3_hP13_156_c_a_2a_2a_4b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D2E4F3_hP13_156_c_a_2a_2a_4b_a2b:Mg-Mo-S-Se-Te-W +mp-2223123,MgTe2Mo3(SeS)2,-6.274223487,-0.7053670014,0.2796239405,0.2796239405,GGA,P1,AB3C2D2E2_aP10_1_a_3a_2a_2a_2a:Mg-Mo-S-Se-Te,10.0,AB3C2D2E2_aP10_1_a_3a_2a_2a_2a:Mg-Mo-S-Se-Te +mp-2226965,MgTe2Mo3(SeS)2,-6.304413434,-0.7355569484000001,0.2494339935,0.2494339935,GGA,P3m1,AB3C2D2E2_hP10_156_c_a2b_2a_2b_2a:Mg-Mo-S-Se-Te,10.0,AB3C2D2E2_hP10_156_c_a2b_2a_2b_2a:Mg-Mo-S-Se-Te +mp-2224215,MgTe2Mo3(SeS)2,-6.316219061,-0.7473625754000001,0.2376283665,0.2376283665,GGA,P3m1,AB3C2D2E2_hP10_156_a_a2b_2a_2b_2a:Mg-Mo-S-Se-Te,10.0,AB3C2D2E2_mC20_8_a_3a_2a_2a_2a:Mg-Mo-S-Se-Te +mp-2239938,MgTe2Mo3(SeS)2,-6.311941286,-0.7430848004,0.2419061415,0.2419061415,GGA,P3m1,AB3C2D2E2_hP10_156_a_2ab_2b_2a_2b:Mg-Mo-S-Se-Te,10.0,AB3C2D2E2_hP10_156_a_2ab_2b_2a_2b:Mg-Mo-S-Se-Te +mp-2223083,MgTe4Mo2WS2,-6.285507293,-0.5759239123000001,0.2667052565,0.2667052565,GGA,Cm,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W +mp-2227645,MgTe4Mo2WS2,-6.250585757,-0.5410023763,0.3016267925,0.3016267925,GGA,Cm,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W +mp-2239885,MgTe4Mo2WS2,-6.209709794,-0.5001264133000001,0.3425027555,0.3425027555,GGA,Cm,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W +mp-2240448,MgTe4Mo2WS2,-6.209735284,-0.5001519033,0.3424772655,0.3424772655,GGA,Cm,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_mC20_8_a_2a_2a_4a_a:Mg-Mo-S-Te-W +mp-2222825,MgTe4Mo2WS2,-6.250709012,-0.5411256313,0.3015035375,0.3015035375,GGA,Amm2,AB2C2D4E_oC20_38_a_c_c_2c_b:Mg-Mo-S-Te-W,10.0,"Invalid WP multiplicities - AB2C2D4E_oC20_38_a_c_c_3c_b:Mg-Mo-S-Te-W, expected MgTe6Mo2WS2 to be MgTe4Mo2WS2" +mp-2223605,MgTe4Mo2WS2,-6.243702261,-0.5341188803,0.3085102885,0.3085102885,GGA,P3m1,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Te-W +mp-2242069,MgTe4Mo2WS2,-6.242245283,-0.5326619023,0.3099672665,0.3099672665,GGA,P3m1,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Te-W,10.0,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Te-W +mp-2242114,MgTe4Mo2WS2,-6.275717848,-0.5661344673,0.2764947015,0.2764947015,GGA,P3m1,AB2C2D4E_hP10_156_c_2a_2a_4b_b:Mg-Mo-S-Te-W,10.0,AB2C2D4E_hP10_156_c_2a_2a_4b_b:Mg-Mo-S-Te-W +mp-2239832,MgMoW2(SeS2)2,-7.101261839,-0.9112805347,0.266910792,0.266910792,GGA,P1,ABC4D2E2_aP10_1_a_a_4a_2a_2a:Mg-Mo-S-Se-W,10.0,ABC4D2E2_aP10_1_a_a_4a_2a_2a:Mg-Mo-S-Se-W +mp-2222763,MgMoW2(SeS2)2,-7.131024853,-0.9410435487,0.237147778,0.237147778,GGA,P3m1,ABC4D2E2_hP10_156_a_a_4a_2b_2b:Mg-Mo-S-Se-W,10.0,ABC4D2E2_hP10_156_a_a_4a_2b_2b:Mg-Mo-S-Se-W +mp-2222771,MgMoW2(SeS2)2,-7.130956735,-0.9409754307,0.237215896,0.237215896,GGA,P3m1,ABC4D2E2_hP10_156_a_b_4b_2a_2a:Mg-Mo-S-Se-W,10.0,ABC4D2E2_hP10_156_a_b_4b_2a_2a:Mg-Mo-S-Se-W +mp-1028419,Te2Mo3WSe6,-6.892261795,-0.8291650273000001,0.0840349092,0.0840349092,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W +mp-1028505,Te2Mo3WSe6,-6.8024409967,-0.7393442289000001,0.1738557075,0.1738557075,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W +mp-1030410,Te2Mo3WSe6,-6.8924021175,-0.8293053498,0.0838945867,0.0838945867,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W +mp-1030605,Te2Mo3WSe6,-6.8921351517,-0.8290383839000001,0.0841615525,0.0841615525,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W +mp-1030523,Te2Mo3WSe6,-6.8924004258,-0.8293036581000001,0.0838962783,0.0838962783,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W +mp-1027658,Te2Mo3WSe6,-6.8018172825,-0.7387205148,0.1744794217,0.1744794217,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W +mp-1027711,Te2Mo3WSe6,-6.8921436042,-0.8290468364,0.0841531,0.0841531,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-Se-Te-W +mp-1030722,Te2Mo3WSe6,-6.8922968567,-0.8292000889000001,0.0839998475,0.0839998475,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-Se-Te-W +mp-1030274,Te3Mo2S,-6.5346672283,-0.6583892672,0.0595282908,0.0595282908,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Te,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Te +mp-1027642,Te3Mo2S,-6.5339379133,-0.6576599522000001,0.0602576058,0.0602576058,GGA,P3m1,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Te,12.0,A2BC3_hP12_156_2a2b_2a_2a4b:Mo-S-Te +mp-1247258,Mg2MoW3S8,-7.1303536986000005,-0.9866251389,0.2447107364,0.2447107364,GGA,R3m,A2BC8D3_hR42_160_2a_a_2a2b_b:Mg-Mo-S-W,14.0,"Invalid WP multiplicities - A2BC8D3_hR42_160_2a_a_2a6b_b:Mg-Mo-S-W, expected Mg2MoW3S20 to be Mg2MoW3S8" +mp-2219334,MgTe4Mo4(SeS)2,-6.2540741792,-0.6524721214,0.2336835827,0.2336835827,GGA,P1,AB4C2D2E4_aP13_1_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_aP13_1_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te +mp-2219454,MgTe4Mo4(SeS)2,-6.2552756308,-0.6536735729,0.2324821312,0.2324821312,GGA,Cm,AB4C2D2E4_mC26_8_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_mC26_8_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te +mp-2219087,MgTe4Mo4(SeS)2,-6.2550205362,-0.6534184783,0.2327372258,0.2327372258,GGA,Cm,AB4C2D2E4_mC26_8_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_mC26_8_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te +mp-2219744,MgTe4Mo4(SeS)2,-6.2817295238,-0.6801274660000001,0.2060282381,0.2060282381,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_aP13_1_a_4a_2a_2a_4a:Mg-Mo-S-Se-Te +mp-2218821,MgTe4Mo4(SeS)2,-6.2815554638,-0.6799534060000001,0.2062022981,0.2062022981,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te +mp-2218934,MgTe4Mo4(SeS)2,-6.2820129877,-0.6804109298000001,0.2057447742,0.2057447742,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te +mp-2218853,MgTe4Mo4(SeS)2,-6.2800761546,-0.6784740967,0.2076816073,0.2076816073,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te +mp-2219467,MgTe4Mo4(SeS)2,-6.2898369492,-0.6882348914,0.1979208127,0.1979208127,GGA,P3m1,AB4C2D2E4_hP13_156_a_2a2b_2b_2a_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_a_2a2b_2b_2a_2a2b:Mg-Mo-S-Se-Te +mp-2218998,MgTe4Mo4(SeS)2,-6.27798069,-0.6763786321,0.2097770719,0.2097770719,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te +mp-2218952,MgTe4Mo4(SeS)2,-6.2897869331,-0.6881848752,0.1979708288,0.1979708288,GGA,P3m1,AB4C2D2E4_hP13_156_a_2a2b_2b_2a_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_a_2a2b_2b_2a_2a2b:Mg-Mo-S-Se-Te +mp-2219697,MgTe4Mo4(SeS)2,-6.2810672423,-0.6794651844,0.2066905196,0.2066905196,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2b_2a2b:Mg-Mo-S-Se-Te +mp-2227551,MgTe4Mo4(SeS)2,-6.2798440446,-0.6782419867,0.2079137173,0.2079137173,GGA,P3m1,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te,13.0,AB4C2D2E4_hP13_156_c_2a2b_2a_2a_4b:Mg-Mo-S-Se-Te +mp-1025923,Te2Mo2WS4,-7.28669457,-0.8998232695,0.0709203467,0.0709203467,GGA,P3m1,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-S-Te-W,9.0,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-S-Te-W +mp-1025926,Te2Mo2WS4,-7.2871445722,-0.9002732718,0.0704703444,0.0704703444,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Te-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Te-W +mp-1025932,Te2Mo2WS4,-7.2866738044,-0.8998025040000001,0.0709411122,0.0709411122,GGA,P3m1,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-S-Te-W,9.0,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-S-Te-W +mp-1026015,Te2Mo2WS4,-7.2373024744,-0.850431174,0.1203124422,0.1203124422,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Te-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Te-W +mp-1025838,Te2Mo2WS4,-7.2375071878,-0.8506358873000001,0.1201077289,0.1201077289,GGA,P-6m2,A2B4C2D_hP9_187_h_2g_h_a:Mo-S-Te-W,9.0,"Invalid WP multiplicities - A2B4C2D_hP9_187_h_3g_h_a:Mo-S-Te-W, expected Te2Mo2WS6 to be Te2Mo2WS4" +mp-2218726,MgTe4MoW3S4,-6.7676688831,-0.5800270453,0.2953335904,0.2953335904,GGA,Cm,ABC4D4E3_mC26_8_a_a_4a_4a_3a:Mg-Mo-S-Te-W,13.0,ABC4D4E3_mC26_8_a_a_4a_4a_3a:Mg-Mo-S-Te-W +mp-2218606,MgTe4MoW3S4,-6.8012180723,-0.6135762346,0.2617844012,0.2617844012,GGA,Cm,ABC4D4E3_mC26_8_a_a_4a_4a_3a:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_c_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W +mp-2218778,MgTe4MoW3S4,-6.8014989385,-0.6138571007,0.261503535,0.261503535,GGA,Cm,ABC4D4E3_mC26_8_a_a_4a_4a_3a:Mg-Mo-S-Te-W,13.0,ABC4D4E3_mC26_8_a_a_4a_4a_3a:Mg-Mo-S-Te-W +mp-2218510,MgTe4MoW3S4,-6.8010151285,-0.6133732907,0.261987345,0.261987345,GGA,P3m1,ABC4D4E3_hP13_156_a_b_2a2b_2a2b_2ab:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_a_b_2a2b_2a2b_2ab:Mg-Mo-S-Te-W +mp-2218673,MgTe4MoW3S4,-6.7915646800000005,-0.6039228422,0.2714377935,0.2714377935,GGA,P3m1,ABC4D4E3_hP13_156_c_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_c_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W +mp-2218364,MgTe4MoW3S4,-6.7993628623,-0.6117210246,0.2636396112,0.2636396112,GGA,P3m1,ABC4D4E3_hP13_156_a_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_a_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W +mp-2218455,MgTe4MoW3S4,-6.8187152777,-0.6310734399,0.2442871958,0.2442871958,GGA,P3m1,ABC4D4E3_hP13_156_c_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_c_a_2a2b_2a2b_a2b:Mg-Mo-S-Te-W +mp-2218312,MgTe4MoW3S4,-6.8267964262,-0.6391545884000001,0.2362060473,0.2362060473,GGA,P3m1,ABC4D4E3_hP13_156_a_b_2a2b_2a2b_2ab:Mg-Mo-S-Te-W,13.0,ABC4D4E3_hP13_156_a_b_2a2b_2a2b_2ab:Mg-Mo-S-Te-W +mp-2223660,MgTe2MoW2(SeS)2,-6.62057728,-0.6292247704,0.337223402,0.337223402,GGA,P1,ABC2D2E2F2_aP10_1_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_mC20_8_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2240101,MgTe2MoW2(SeS)2,-6.602151031,-0.6107985214,0.355649651,0.355649651,GGA,P1,ABC2D2E2F2_aP10_1_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_aP10_1_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2222904,MgTe2MoW2(SeS)2,-6.635997149,-0.6446446394,0.321803533,0.321803533,GGA,Cm,ABC2D2E2F2_mC20_8_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_mC20_8_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2240667,MgTe2MoW2(SeS)2,-6.645580897,-0.6542283874,0.312219785,0.312219785,GGA,Cm,ABC2D2E2F2_mC20_8_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_mC20_8_a_a_2a_2a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2223876,MgTe2MoW2(SeS)2,-6.653509579,-0.6621570694000001,0.304291103,0.304291103,GGA,P3m1,ABC2D2E2F2_hP10_156_a_b_2b_2a_2b_2a:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_hP10_156_a_b_2b_2a_2b_2a:Mg-Mo-S-Se-Te-W +mp-2227516,MgTe2MoW2(SeS)2,-6.60234143,-0.6109889204,0.355459252,0.355459252,GGA,P3m1,ABC2D2E2F2_hP10_156_a_a_2b_2a_2a_2b:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_hP10_156_a_a_2b_2a_2a_2b:Mg-Mo-S-Se-Te-W +mp-2226424,MgTe2MoW2(SeS)2,-6.655583118,-0.6642306084,0.302217564,0.302217564,GGA,P3m1,ABC2D2E2F2_hP10_156_a_a_2a_2b_2a_2b:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_hP10_156_a_a_2a_2b_2a_2b:Mg-Mo-S-Se-Te-W +mp-2223655,MgTe2MoW2(SeS)2,-6.672144444,-0.6807919344000001,0.285656238,0.285656238,GGA,P3m1,ABC2D2E2F2_hP10_156_c_a_2a_2b_2b_ab:Mg-Mo-S-Se-Te-W,10.0,ABC2D2E2F2_hP10_156_c_a_2a_2b_2b_ab:Mg-Mo-S-Se-Te-W 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+mp-1025747,Te2MoW2(SeS)2,-7.2846992622,-0.8054498127,0.0879202783,0.0879202783,GGA,P3m1,AB2C2D2E2_hP9_156_a_2b_2a_2b_ab:Mo-S-Se-Te-W,9.0,AB2C2D2E2_hP9_156_a_2b_2a_2b_ab:Mo-S-Se-Te-W +mp-1025768,Te2MoW2(SeS)2,-7.2845668378,-0.8053173883,0.0880527028,0.0880527028,GGA,P3m1,AB2C2D2E2_hP9_156_a_2a_2a_2b_2b:Mo-S-Se-Te-W,9.0,AB2C2D2E2_hP9_156_a_2a_2a_2b_2b:Mo-S-Se-Te-W +mp-1222136,Mg2TeSe,-3.7206953175,-1.2607509498,0.02726549,0.02726549,GGA,R3m,A2BC_hR12_160_2a_a_a:Mg-Se-Te,4.0,A2BC_hR12_160_2a_a_a:Mg-Se-Te +mp-1027911,Te4Mo3WS4,-6.9687248533,-0.7508828866,0.1163510533,0.1163510533,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027132,Te4Mo3WS4,-6.9700081683,-0.7521662016,0.1150677383,0.1150677383,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Te-W +mp-1027352,Te4Mo3WS4,-7.0057923867,-0.7879504199,0.07928352,0.07928352,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Te-W +mp-1027355,Te4Mo3WS4,-7.0060165683,-0.7881746016000001,0.0790593383,0.0790593383,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027383,Te4Mo3WS4,-7.0050765992,-0.7872346324,0.0799993075,0.0799993075,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027436,Te4Mo3WS4,-6.9749494733,-0.7571075066,0.1101264333,0.1101264333,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Te-W +mp-1030240,Te4Mo3WS4,-7.0061606358,-0.7883186691,0.0789152708,0.0789152708,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Te-W +mp-1030269,Te4Mo3WS4,-7.0056766733,-0.7878347066,0.0793992333,0.0793992333,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1030354,Te4Mo3WS4,-7.0058396283,-0.7879976616000001,0.0792362783,0.0792362783,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1030467,Te4Mo3WS4,-6.9694763183,-0.7516343516,0.1155995883,0.1155995883,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027451,Te4Mo3WS4,-6.9696240408,-0.7517820741,0.1154518658,0.1154518658,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027700,Te4Mo3WS4,-6.9691674992,-0.7513255324,0.1159084075,0.1159084075,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Te-W +mp-1027696,TeMo2S3,-7.1885396125,-0.9812136602,0.0591291917,0.0591291917,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Te,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Te +mp-1027761,TeMo2S3,-7.1890508075,-0.9817248552,0.0586179967,0.0586179967,GGA,P3m1,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Te,12.0,A2B3C_hP12_156_2a2b_2a4b_2a:Mo-S-Te +mp-1217334,TeMo2S3,-7.1939502617,-0.9866243093,0.0537185425,0.0537185425,GGA,P3m1,A2B3C_hP6_156_ab_a2b_a:Mo-S-Te,6.0,A2B3C_hP6_156_ab_a2b_a:Mo-S-Te +mp-1026931,Te2Mo3W(Se2S)2,-7.0129365075,-0.8430833416,0.1235754508,0.1235754508,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1026941,Te2Mo3W(Se2S)2,-6.9430530667,-0.7731999007,0.1934588917,0.1934588917,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1026989,Te2Mo3W(Se2S)2,-7.013163215,-0.8433100491000001,0.1233487433,0.1233487433,GGA,P3m1,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W +mp-1026990,Te2Mo3W(Se2S)2,-7.0340660183,-0.8642128524,0.10244594,0.10244594,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1027137,Te2Mo3W(Se2S)2,-7.0334308592,-0.8635776932,0.1030810992,0.1030810992,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W +mp-1027149,Te2Mo3W(Se2S)2,-7.0337956633,-0.8639424974000001,0.102716295,0.102716295,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1027337,Te2Mo3W(Se2S)2,-7.0341595458,-0.8643063799,0.1023524125,0.1023524125,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1027437,Te2Mo3W(Se2S)2,-7.0335769058,-0.8637237399000001,0.1029350525,0.1029350525,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1030409,Te2Mo3W(Se2S)2,-7.0496284017,-0.8797752357,0.0868835567,0.0868835567,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1030403,Te2Mo3W(Se2S)2,-7.0341123367,-0.8642591707,0.1023996217,0.1023996217,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W +mp-1030456,Te2Mo3W(Se2S)2,-7.03467117,-0.8648180041,0.1018407883,0.1018407883,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1030514,Te2Mo3W(Se2S)2,-7.049518465,-0.8796652991,0.0869934933,0.0869934933,GGA,P3m1,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W +mp-1030575,Te2Mo3W(Se2S)2,-7.0495096908,-0.8796565249,0.0870022675,0.0870022675,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1030521,Te2Mo3W(Se2S)2,-7.0346273258,-0.8647741599000001,0.1018846325,0.1018846325,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1080154,Te2Mo3W(Se2S)2,-7.0337587492,-0.8639055832,0.1027532092,0.1027532092,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W +mp-1027461,Te2Mo3W(Se2S)2,-7.0130224525,-0.8431692866,0.1234895058,0.1234895058,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1027512,Te2Mo3W(Se2S)2,-7.0141478392,-0.8442946732000001,0.1223641192,0.1223641192,GGA,P3m1,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W +mp-1027517,Te2Mo3W(Se2S)2,-7.0346391492,-0.8647859832,0.1018728092,0.1018728092,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_4b_2a_a:Mo-S-Se-Te-W +mp-1027614,Te2Mo3W(Se2S)2,-7.0350307558,-0.8651775899,0.1014812025,0.1014812025,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1027721,Te2Mo3W(Se2S)2,-7.0500221567,-0.8801689907,0.0864898017,0.0864898017,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1027722,Te2Mo3W(Se2S)2,-7.0496787258,-0.8798255599,0.0868332325,0.0868332325,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2b_2a2b_2a_a:Mo-S-Se-Te-W +mp-1027760,Te2Mo3W(Se2S)2,-7.0138465625,-0.8439933966000001,0.1226653958,0.1226653958,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1030750,Te2Mo3W(Se2S)2,-7.0342191217,-0.8643659557000001,0.1022928367,0.1022928367,GGA,P3m1,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_a2b_2a_2a2b_2b_a:Mo-S-Se-Te-W +mp-1030827,Te2Mo3W(Se2S)2,-7.0494550425,-0.8796018766,0.0870569158,0.0870569158,GGA,P3m1,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W,12.0,A3B2C4D2E_hP12_156_2ab_2a_4b_2a_b:Mo-S-Se-Te-W +mp-1026020,Te2Mo3S4,-7.0693784044,-0.9172271173,0.0693781856,0.0693781856,GGA,P3m1,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-S-Te,9.0,A3B4C2_hP9_156_a2b_2a2b_2a:Mo-S-Te +mp-1025986,Te2Mo3S4,-7.0693875978,-0.9172363106,0.0693689922,0.0693689922,GGA,P-6m2,A3B4C2_hP9_187_ah_2g_h:Mo-S-Te,9.0,"Invalid WP multiplicities - A3B4C2_hP9_187_ah_3g_h:Mo-S-Te, expected Te2(MoS2)3 to be Te2Mo3S4" +mp-1246595,Mg2Mo3WS8,-6.6982656179,-0.8563199325,0.39540954,0.39540954,GGA,R-3m,A2B3C8D_hR42_166_c_d_ch_a:Mg-Mo-S-W,14.0,"Invalid WP multiplicities - A2B3C8D_hR42_166_c_d_2c2h_a:Mg-Mo-S-W, expected Mg2Mo3WS16 to be Mg2Mo3WS8" +mp-1025941,Mo2W(SeS2)2,-7.5669149333,-1.1016868364,0.0428151128,0.0428151128,GGA,P3m1,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-S-Se-W,9.0,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-S-Se-W +mp-1025934,Mo2W(SeS2)2,-7.5444049322,-1.0791768352,0.0653251139,0.0653251139,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Se-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Se-W +mp-1025948,Mo2W(SeS2)2,-7.5666165367,-1.1013884397,0.0431135094,0.0431135094,GGA,P3m1,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-S-Se-W,9.0,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-S-Se-W +mp-1026023,Mo2W(SeS2)2,-7.5677698978,-1.1025418008,0.0419601483,0.0419601483,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Se-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-S-Se-W +mp-1025896,Mo2W(SeS2)2,-7.5437310211,-1.0785029241,0.065999025,0.065999025,GGA,P-6m2,A2B4C2D_hP9_187_h_2g_h_a:Mo-S-Se-W,9.0,"Invalid WP multiplicities - A2B4C2D_hP9_187_h_3g_h_a:Mo-S-Se-W, expected Mo2W(SeS3)2 to be Mo2W(SeS2)2" +mp-2227679,MgTe2Mo4(Se2S)2,-6.4259302208,-0.7700811499,0.2155395919,0.2155395919,GGA,Cm,AB4C2D4E2_mC26_8_a_4a_2a_4a_2a:Mg-Mo-S-Se-Te,13.0,AB4C2D4E2_mC26_8_a_4a_2a_4a_2a:Mg-Mo-S-Se-Te +mp-1027335,MoWS4,-7.9006052458,-1.1756752779,0.0020876908,0.0020876908,GGA,P3m1,AB4C_hP12_156_2a_4a4b_2b:Mo-S-W,12.0,AB4C_hP12_156_2a_4a4b_2b:Mo-S-W +mp-1023954,MoWS4,-7.90056289,-1.1756329221,0.0021300467,0.0021300467,GGA,P3m1,AB4C_hP6_156_a_2a2b_b:Mo-S-W,6.0,AB4C_hP6_156_a_2a2b_b:Mo-S-W +mp-1027647,MoWS4,-7.9006063083,-1.1756763404,0.0020866283,0.0020866283,GGA,P3m1,AB4C_hP12_156_ab_4a4b_ab:Mo-S-W,12.0,AB4C_hP12_156_ab_4a4b_ab:Mo-S-W +mp-1027269,MoWS4,-7.9005354608,-1.1756054929,0.0021574758,0.0021574758,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-S-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-S-W, expected MoWS6 to be MoWS4" +mp-1030119,MoWS4,-7.9006202083,-1.1756902404,0.0020727283,0.0020727283,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-S-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-S-W, expected MoWS6 to be MoWS4" +mp-2239906,MgMo(WS3)2,-7.3054452,-0.9873562179,0.2279077855,0.2279077855,GGA,Cm,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mo-S-W,10.0,ABC6D2_mC20_8_a_a_6a_2a:Mg-Mo-S-W +mp-2223878,MgMo(WS3)2,-7.327916763,-1.0098277809,0.2054362225,0.2054362225,GGA,P3m1,ABC6D2_hP10_156_c_a_2a4b_ab:Mg-Mo-S-W,10.0,ABC6D2_hP10_156_c_a_2a4b_ab:Mg-Mo-S-W +mp-2226971,MgMo(WS3)2,-7.321807951,-1.0037189689,0.2115450345,0.2115450345,GGA,P3m1,ABC6D2_hP10_156_c_a_2a4b_ab:Mg-Mo-S-W,10.0,ABC6D2_hP10_156_c_a_2a4b_ab:Mg-Mo-S-W +mp-1029256,Te4MoW,-6.5221301525,-0.4592961669,0.0126562875,0.0126562875,GGA,P3m1,AB4C_hP12_156_2a_4a4b_2b:Mo-Te-W,12.0,AB4C_hP12_156_2a_4a4b_2b:Mo-Te-W +mp-1030335,Te4MoW,-6.5221156167,-0.4592816311,0.0126708233,0.0126708233,GGA,P3m1,AB4C_hP12_156_ab_4a4b_ab:Mo-Te-W,12.0,AB4C_hP12_156_ab_4a4b_ab:Mo-Te-W +mp-1023941,Te4MoW,-6.5212603367,-0.4584263511,0.0135261033,0.0135261033,GGA,P3m1,AB4C_hP6_156_a_2a2b_b:Mo-Te-W,6.0,AB4C_hP6_156_a_2a2b_b:Mo-Te-W +mp-1028594,Te4MoW,-6.5221344925,-0.4593005069,0.0126519475,0.0126519475,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-Te-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-Te-W, expected Te6MoW to be Te4MoW" +mp-1030106,Te4MoW,-6.522092155,-0.4592581694,0.012694285,0.012694285,GGA,P-3m1,AB4C_hP12_164_d_4d_d:Mo-Te-W,12.0,"Invalid WP multiplicities - AB4C_hP12_164_d_6d_d:Mo-Te-W, expected Te6MoW to be Te4MoW" +mp-1030155,Te8Mo3W,-6.3946959467,-0.5079019711,0.0064267117,0.0064267117,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-Te-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-Te-W +mp-1030331,Te8Mo3W,-6.3948948625,-0.5081008869,0.0062277958,0.0062277958,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-Te-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-Te-W +mp-1027569,Mo3WS8,-7.7364241783,-1.1875342204,0.0021250133,0.0021250133,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-S-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-S-W +mp-1027645,Mo3WS8,-7.736555135,-1.1876651771,0.0019940567,0.0019940567,GGA,P3m1,A3B8C_hP12_156_a2b_4a4b_a:Mo-S-W,12.0,A3B8C_hP12_156_a2b_4a4b_a:Mo-S-W +mp-2222811,MgTe2Mo2W(SeS)2,-6.425930751,-0.6458262534,0.353185415,0.353185415,GGA,P1,AB2C2D2E2F_aP10_1_a_2a_2a_2a_2a_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_aP10_1_a_2a_2a_2a_2a_a:Mg-Mo-S-Se-Te-W +mp-2223324,MgTe2Mo2W(SeS)2,-6.425933485,-0.6458289874,0.353182681,0.353182681,GGA,Cm,AB2C2D2E2F_mC20_8_a_2a_2a_2a_2a_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_a_ab_2b_2a_2a_b:Mg-Mo-S-Se-Te-W +mp-2240513,MgTe2Mo2W(SeS)2,-6.464276506,-0.6841720084,0.31483966,0.31483966,GGA,Cm,AB2C2D2E2F_mC20_8_a_2a_2a_2a_2a_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_mC20_8_a_2a_2a_2a_2a_a:Mg-Mo-S-Se-Te-W +mp-2223884,MgTe2Mo2W(SeS)2,-6.454178862,-0.6740743644,0.324937304,0.324937304,GGA,P3m1,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2b_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2b_a:Mg-Mo-S-Se-Te-W +mp-2222782,MgTe2Mo2W(SeS)2,-6.456446547,-0.6763420494,0.322669619,0.322669619,GGA,P3m1,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2b_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2b_a:Mg-Mo-S-Se-Te-W +mp-2222881,MgTe2Mo2W(SeS)2,-6.463464247,-0.6833597494,0.315651919,0.315651919,GGA,P3m1,AB2C2D2E2F_hP10_156_a_ab_2b_2a_2b_a:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_a_ab_2b_2a_2b_a:Mg-Mo-S-Se-Te-W +mp-2240100,MgTe2Mo2W(SeS)2,-6.46838157,-0.6882770724,0.310734596,0.310734596,GGA,P3m1,AB2C2D2E2F_hP10_156_a_ab_2a_2b_2a_b:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_a_ab_2a_2b_2a_b:Mg-Mo-S-Se-Te-W +mp-2240057,MgTe2Mo2W(SeS)2,-6.456616464,-0.6765119664,0.322499702,0.322499702,GGA,P3m1,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2a_b:Mg-Mo-S-Se-Te-W,10.0,AB2C2D2E2F_hP10_156_c_ab_2a_2b_2a_b:Mg-Mo-S-Se-Te-W +mp-1028463,Te2MoW3(Se2S)2,-7.2529834758,-0.7310502899,0.1813360092,0.1813360092,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1028517,Te2MoW3(Se2S)2,-7.237164768299999,-0.7152315824000001,0.1971547167,0.1971547167,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1028525,Te2MoW3(Se2S)2,-7.2742994392,-0.7523662532000001,0.1600200458,0.1600200458,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W +mp-1028570,Te2MoW3(Se2S)2,-7.2530566433,-0.7311234574000001,0.1812628417,0.1812628417,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1027001,Te2MoW3(Se2S)2,-7.23630293,-0.7143697441,0.198016555,0.198016555,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1028709,Te2MoW3(Se2S)2,-7.2738157908,-0.7518826049,0.1605036942,0.1605036942,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1028728,Te2MoW3(Se2S)2,-7.2527342858,-0.7308010999,0.1815851992,0.1815851992,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1027061,Te2MoW3(Se2S)2,-7.2366063892,-0.7146732032,0.1977130958,0.1977130958,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1028765,Te2MoW3(Se2S)2,-7.23762723,-0.7156940441,0.196692255,0.196692255,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1027134,Te2MoW3(Se2S)2,-7.2377927867,-0.7158596007,0.1965266983,0.1965266983,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W +mp-1028850,Te2MoW3(Se2S)2,-7.2529770925,-0.7310439066000001,0.1813423925,0.1813423925,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W +mp-1028901,Te2MoW3(Se2S)2,-7.236904885,-0.7149716991,0.1974146,0.1974146,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W +mp-1028911,Te2MoW3(Se2S)2,-7.2732476517,-0.7513144657,0.1610718333,0.1610718333,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1028951,Te2MoW3(Se2S)2,-7.2522659067,-0.7303327207,0.1820535783,0.1820535783,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W +mp-1028971,Te2MoW3(Se2S)2,-7.2529369392,-0.7310037532,0.1813825458,0.1813825458,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1029078,Te2MoW3(Se2S)2,-7.2525420742,-0.7306088882,0.1817774108,0.1817774108,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_2a2b_2a_a2b:Mo-S-Se-Te-W +mp-1029147,Te2MoW3(Se2S)2,-7.2738548792,-0.7519216932,0.1604646058,0.1604646058,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1029190,Te2MoW3(Se2S)2,-7.25281405,-0.7308808641,0.181505435,0.181505435,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W +mp-1029219,Te2MoW3(Se2S)2,-7.2529481558,-0.7310149699,0.1813713292,0.1813713292,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1029250,Te2MoW3(Se2S)2,-7.2732455617,-0.7513123757,0.1610739233,0.1610739233,GGA,P3m1,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2b_4a_2b_a2b:Mo-S-Se-Te-W +mp-1029951,Te2MoW3(Se2S)2,-7.27421432,-0.7522811341000001,0.160105165,0.160105165,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1030572,Te2MoW3(Se2S)2,-7.2530649825,-0.7311317966,0.1812545025,0.1812545025,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-1030568,Te2MoW3(Se2S)2,-7.2524457358,-0.7305125499,0.1818737492,0.1818737492,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_4b_2a_a2b:Mo-S-Se-Te-W +mp-1247731,Te2MoW3(Se2S)2,-7.2525636558,-0.7306304699,0.1817558292,0.1817558292,GGA,P3m1,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB2C4D2E3_hP12_156_a_2a_2a2b_2b_a2b:Mo-S-Se-Te-W +mp-2219175,MgTe4(MoS)4,-6.3843252315,-0.6841788061,0.2513235342,0.2513235342,GGA,Cm,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-Mo-S-Te,13.0,AB4C4D4_mC26_8_a_4a_4a_4a:Mg-Mo-S-Te +mp-2218938,MgTe4(MoS)4,-6.4072356308,-0.7070892053000001,0.228413135,0.228413135,GGA,P3m1,AB4C4D4_hP13_156_c_2a2b_2a2b_2a2b:Mg-Mo-S-Te,13.0,AB4C4D4_hP13_156_c_2a2b_2a2b_2a2b:Mg-Mo-S-Te +mp-2219034,MgTe4(MoS)4,-6.4231596138,-0.7230131884000001,0.2124891519,0.2124891519,GGA,P3m1,AB4C4D4_hP13_156_a_2a2b_2a2b_2a2b:Mg-Mo-S-Te,13.0,AB4C4D4_hP13_156_a_2a2b_2a2b_2a2b:Mg-Mo-S-Te +mp-2219025,MgTe4(MoS)4,-6.4081052223,-0.7079587969000001,0.2275435435,0.2275435435,GGA,P-3m1,AB4C4D4_hP13_164_a_2d_2d_2d:Mg-Mo-S-Te,13.0,"Invalid WP multiplicities - AB4C4D4_hP13_164_a_3d_2d_2d:Mg-Mo-S-Te, expected MgTe4(Mo3S2)2 to be MgTe4(MoS)4" +mp-2223643,MgTe4Mo(WS)2,-6.43708652,-0.5162551273,0.2755225675,0.2755225675,GGA,Cm,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Te-W,10.0,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Te-W +mp-2222901,MgTe4Mo(WS)2,-6.402567222,-0.4817358293,0.3100418655,0.3100418655,GGA,Cm,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Te-W,10.0,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Te-W +mp-2224162,MgTe4Mo(WS)2,-6.431802948,-0.5109715553,0.2808061395,0.2808061395,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Te-W,10.0,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Te-W +mp-2223120,MgTe4Mo(WS)2,-6.42939498,-0.5085635873000001,0.2832141075,0.2832141075,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Te-W,10.0,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Te-W +mp-1222094,Mg4Te3Se,-3.5887513325,-1.1728826628,0.0144461488,0.0144461488,GGA,P-4m2,A4BC3_tP8_115_2g_b_ce:Mg-Se-Te,8.0,"Invalid WP multiplicities - A4BC3_tP8_115_2g_b_c2e:Mg-Se-Te, expected Mg4Te5Se to be Mg4Te3Se" +mp-2223890,MgMo3(Se2S)2,-6.542337531,-0.9029599286,0.2054160975,0.2054160975,GGA,P3m1,AB3C2D4_hP10_156_c_2ab_2a_4b:Mg-Mo-S-Se,10.0,AB3C2D4_hP10_156_c_2ab_2a_4b:Mg-Mo-S-Se +mp-2239931,MgMo3(Se2S)2,-6.549555822,-0.9101782196,0.1981978065,0.1981978065,GGA,P3m1,AB3C2D4_hP10_156_a_a2b_2b_4a:Mg-Mo-S-Se,10.0,AB3C2D4_hP10_156_a_a2b_2b_4a:Mg-Mo-S-Se +mp-2226502,MgMo3(Se2S)2,-6.515123723,-0.8757461206,0.2326299055,0.2326299055,GGA,P-6m2,AB3C2D4_hP10_187_c_bi_i_2g:Mg-Mo-S-Se,10.0,"Invalid WP multiplicities - AB3C2D4_hP10_187_c_bi_i_3g:Mg-Mo-S-Se, expected MgMo3(Se3S)2 to be MgMo3(Se2S)2" +mp-1025586,Te2W3S4,-7.67253006,-0.8162187329,0.0821615589,0.0821615589,GGA,P3m1,A4B2C3_hP9_156_2a2b_2a_a2b:S-Te-W,9.0,A4B2C3_hP9_156_2a2b_2a_a2b:S-Te-W +mp-1025690,Te2W3S4,-7.6718831678,-0.8155718406,0.0828084511,0.0828084511,GGA,P-6m2,A4B2C3_hP9_187_2g_h_ah:S-Te-W,9.0,"Invalid WP multiplicities - A4B2C3_hP9_187_3g_h_ah:S-Te-W, expected Te2(WS2)3 to be Te2W3S4" +mp-1027078,TeMoWS3,-7.4076499117,-0.8482439393000001,0.1683063825,0.1683063825,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Te-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Te-W +mp-1027303,TeMoWS3,-7.5156191142,-0.9562131418,0.06033718,0.06033718,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1030236,TeMoWS3,-7.4079238683,-0.848517896,0.1680324258,0.1680324258,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1030270,TeMoWS3,-7.516226535,-0.9568205627,0.0597297592,0.0597297592,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1030352,TeMoWS3,-7.5162159825,-0.9568100102,0.0597403117,0.0597403117,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Te-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Te-W +mp-1080160,TeMoWS3,-7.4069618733,-0.847555901,0.1689944208,0.1689944208,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1080164,TeMoWS3,-7.4076658375,-0.8482598652000001,0.1682904567,0.1682904567,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Te-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Te-W +mp-1080165,TeMoWS3,-7.5145454258,-0.9551394535,0.0614108683,0.0614108683,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Te-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Te-W +mp-1027475,TeMoWS3,-7.5166897533,-0.957283781,0.0592665408,0.0592665408,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1027634,TeMoWS3,-7.4086349792,-0.8492290068,0.167321315,0.167321315,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1027652,TeMoWS3,-7.4071967217,-0.8477907493,0.1687595725,0.1687595725,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-1029307,TeMoWS3,-7.5172633433,-0.957857371,0.0586929508,0.0586929508,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Te-W +mp-2219027,MgMo3W(SeS3)2,-7.0586634692,-0.9889801795,0.2055840469,0.2055840469,GGA,Cm,AB3C6D2E_mC26_8_a_3a_6a_2a_a:Mg-Mo-S-Se-W,13.0,AB3C6D2E_mC26_8_a_3a_6a_2a_a:Mg-Mo-S-Se-W +mp-2219593,MgMo3W(SeS3)2,-7.0759396738,-1.0062563841,0.1883078423,0.1883078423,GGA,P3m1,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W,13.0,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W +mp-2219351,MgMo3W(SeS3)2,-7.0796992608,-1.010015971,0.1845482554,0.1845482554,GGA,P3m1,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W,13.0,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W +mp-2219476,MgMo3W(SeS3)2,-7.0754626708,-1.005779381,0.1887848454,0.1887848454,GGA,P3m1,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W,13.0,AB3C6D2E_hP13_156_c_a2b_2a4b_2a_a:Mg-Mo-S-Se-W +mp-1028643,Te3MoWS,-6.7887120683,-0.5603540872,0.1032909775,0.1032909775,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1026981,Te3MoWS,-6.788120955,-0.5597629739000001,0.1038820908,0.1038820908,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1027033,Te3MoWS,-6.7882965658,-0.5599385847,0.10370648,0.10370648,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Te-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Te-W +mp-1027278,Te3MoWS,-6.7880421992,-0.559684218,0.1039608467,0.1039608467,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1028985,Te3MoWS,-6.8220148592,-0.593656878,0.0699881867,0.0699881867,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1029112,Te3MoWS,-6.8220699733,-0.5937119922,0.0699330725,0.0699330725,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Te-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Te-W +mp-1029952,Te3MoWS,-6.7889482283,-0.5605902472000001,0.1030548175,0.1030548175,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Te-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Te-W +mp-1030195,Te3MoWS,-6.8224483092,-0.5940903280000001,0.0695547367,0.0695547367,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1030353,Te3MoWS,-6.8219817067,-0.5936237255,0.0700213392,0.0700213392,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1030419,Te3MoWS,-6.7888450483,-0.5604870672,0.1031579975,0.1031579975,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Te-W +mp-1029322,Te3MoWS,-6.8221175342,-0.593759553,0.0698855117,0.0698855117,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Te-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Te-W +mp-1028445,Te2W2SeS,-7.2674907833,-0.6282851848000001,0.0718602938,0.0718602938,GGA,P3m1,ABC2D2_hP12_156_2a_2a_4b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2a_4b_2a2b:S-Se-Te-W +mp-1028590,Te2W2SeS,-7.26611863,-0.6269130315,0.0732324471,0.0732324471,GGA,P3m1,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W +mp-1028679,Te2W2SeS,-7.2660372358,-0.6268316373,0.0733138413,0.0733138413,GGA,P3m1,ABC2D2_hP12_156_2a_2a_4b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2a_4b_2a2b:S-Se-Te-W +mp-1028732,Te2W2SeS,-7.2655166825,-0.626311084,0.0738343946,0.0738343946,GGA,P3m1,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W +mp-1028771,Te2W2SeS,-7.2649801317,-0.6257745331,0.0743709454,0.0743709454,GGA,P3m1,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W +mp-1028912,Te2W2SeS,-7.2655809858,-0.6263753873,0.0737700913,0.0737700913,GGA,P3m1,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W,12.0,ABC2D2_hP12_156_2a_2b_2a2b_2a2b:S-Se-Te-W +mp-2219232,MgTe4Mo3W(SeS)2,-6.4039016723,-0.6398011437000001,0.2571397346,0.2571397346,GGA,P1,AB3C2D2E4F_aP13_1_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_aP13_1_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2219108,MgTe4Mo3W(SeS)2,-6.3724145262,-0.6083139975,0.2886268808,0.2886268808,GGA,P1,AB3C2D2E4F_aP13_1_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_aP13_1_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2218961,MgTe4Mo3W(SeS)2,-6.4315346308,-0.6674341021,0.2295067762,0.2295067762,GGA,Cm,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2219365,MgTe4Mo3W(SeS)2,-6.4073523592,-0.6432518306,0.2536890477,0.2536890477,GGA,Cm,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2219730,MgTe4Mo3W(SeS)2,-6.3719979231,-0.6078973944,0.2890434838,0.2890434838,GGA,Cm,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2226909,MgTe4Mo3W(SeS)2,-6.4040075808,-0.6399070521,0.2570338262,0.2570338262,GGA,Cm,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_mC26_8_a_3a_2a_2a_4a_a:Mg-Mo-S-Se-Te-W +mp-2219083,MgTe4Mo3W(SeS)2,-6.42641833,-0.6623178014000001,0.2346230769,0.2346230769,GGA,P3m1,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W +mp-2219281,MgTe4Mo3W(SeS)2,-6.4157697123,-0.6516691837,0.2452716946,0.2452716946,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2218814,MgTe4Mo3W(SeS)2,-6.4075734269,-0.6434728983,0.25346798,0.25346798,GGA,P3m1,AB3C2D2E4F_hP13_156_a_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_a_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219875,MgTe4Mo3W(SeS)2,-6.3977443423,-0.6336438137,0.2632970646,0.2632970646,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2219161,MgTe4Mo3W(SeS)2,-6.3722868408,-0.6081863121000001,0.2887545662,0.2887545662,GGA,P3m1,AB3C2D2E4F_hP13_156_b_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_b_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2219099,MgTe4Mo3W(SeS)2,-6.3722407546,-0.6081402260000001,0.2888006523,0.2888006523,GGA,P3m1,AB3C2D2E4F_hP13_156_b_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_b_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2218894,MgTe4Mo3W(SeS)2,-6.4003071954,-0.6362066667,0.2607342115,0.2607342115,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219008,MgTe4Mo3W(SeS)2,-6.3949640962,-0.6308635675,0.2660773108,0.2660773108,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219174,MgTe4Mo3W(SeS)2,-6.39053351,-0.6264329814,0.2705078969,0.2705078969,GGA,P3m1,AB3C2D2E4F_hP13_156_a_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_a_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219014,MgTe4Mo3W(SeS)2,-6.3990058677,-0.634905339,0.2620355392,0.2620355392,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2219020,MgTe4Mo3W(SeS)2,-6.4247979923,-0.6606974637,0.2362434146,0.2362434146,GGA,P3m1,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W +mp-2219677,MgTe4Mo3W(SeS)2,-6.3985439877,-0.634443459,0.2624974192,0.2624974192,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2219684,MgTe4Mo3W(SeS)2,-6.39675828,-0.6326577514,0.2642831269,0.2642831269,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2218904,MgTe4Mo3W(SeS)2,-6.4248675985,-0.6607670698,0.2361738085,0.2361738085,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219532,MgTe4Mo3W(SeS)2,-6.3982434231,-0.6341428944,0.2627979838,0.2627979838,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2227503,MgTe4Mo3W(SeS)2,-6.3946851223,-0.6305845937,0.2663562846,0.2663562846,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2219858,MgTe4Mo3W(SeS)2,-6.4249559877,-0.6608554590000001,0.2360854192,0.2360854192,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2219073,MgTe4Mo3W(SeS)2,-6.39324323,-0.6291427014000001,0.2677981769,0.2677981769,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2b_2a_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2218923,MgTe4Mo3W(SeS)2,-6.4256445746,-0.661544046,0.2353968323,0.2353968323,GGA,P3m1,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_2ab_2a_2a_4b_b:Mg-Mo-S-Se-Te-W +mp-2226732,MgTe4Mo3W(SeS)2,-6.4161487162,-0.6520481875,0.2448926908,0.2448926908,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2b_2a2b_a:Mg-Mo-S-Se-Te-W +mp-2242292,MgTe4Mo3W(SeS)2,-6.3921256746,-0.628025146,0.2689157323,0.2689157323,GGA,P3m1,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D2E4F_hP13_156_c_a2b_2a_2a_4b_a:Mg-Mo-S-Se-Te-W +mp-2223675,MgTe2Mo2WS4,-6.649483962,-0.7412717866,0.2948125585,0.2948125585,GGA,P1,AB2C4D2E_aP10_1_a_2a_4a_2a_a:Mg-Mo-S-Te-W,10.0,AB2C4D2E_aP10_1_a_2a_4a_2a_a:Mg-Mo-S-Te-W +mp-2222840,MgTe2Mo2WS4,-6.687220771,-0.7790085956,0.2570757495,0.2570757495,GGA,Cm,AB2C4D2E_mC20_8_a_2a_4a_2a_a:Mg-Mo-S-Te-W,10.0,AB2C4D2E_mC20_8_a_2a_4a_2a_a:Mg-Mo-S-Te-W +mp-2224196,MgTe2Mo2WS4,-6.688320174,-0.7801079986,0.2559763465,0.2559763465,GGA,P3m1,AB2C4D2E_hP10_156_a_ab_2a2b_2b_a:Mg-Mo-S-Te-W,10.0,AB2C4D2E_hP10_156_a_ab_2a2b_2b_a:Mg-Mo-S-Te-W +mp-2223686,MgTe2Mo2WS4,-6.677633693,-0.7694215176,0.2666628275,0.2666628275,GGA,P3m1,AB2C4D2E_hP10_156_c_ab_2a2b_2a_b:Mg-Mo-S-Te-W,10.0,AB2C4D2E_hP10_156_c_ab_2a2b_2a_b:Mg-Mo-S-Te-W +mp-2224195,MgMoWS4,-6.9108081557,-0.9179710332,0.3235616407,0.3235616407,GGA,P1,ABC4D_aP7_1_a_a_4a_a:Mg-Mo-S-W,7.0,ABC4D_aP7_1_a_a_4a_a:Mg-Mo-S-W +mp-1247218,MgMoWS4,-6.9593141821,-0.9664770596,0.2750556143,0.2750556143,GGA,Imm2,ABC4D_oI28_44_ab_c_2c2d_d:Mg-Mo-S-W,14.0,"Invalid WP multiplicities - ABC4D_oI28_44_ab_c_3c4d_d:Mg-Mo-S-W, expected MgMoWS7 to be MgMoWS4" +mp-2210689,MgMoWS4,-6.9419193157,-0.9490821932,0.2924504807,0.2924504807,GGA,P3m1,ABC4D_hP7_156_c_a_2a2b_b:Mg-Mo-S-W,7.0,ABC4D_hP7_156_c_a_2a2b_b:Mg-Mo-S-W +mp-2224719,MgMoWS4,-6.9510158629,-0.9581787404,0.2833539336,0.2833539336,GGA,P3m1,ABC4D_hP7_156_a_a_2a2b_b:Mg-Mo-S-W,7.0,ABC4D_hP7_156_a_a_2a2b_b:Mg-Mo-S-W +mp-2226125,MgMoWS4,-6.9557891429000005,-0.9629520204,0.2785806536,0.2785806536,GGA,P3m1,ABC4D_hP7_156_a_b_2a2b_a:Mg-Mo-S-W,7.0,ABC4D_hP7_156_a_b_2a2b_a:Mg-Mo-S-W +mp-1025921,Te4Mo(WS)2,-7.0171348544,-0.6162422014,0.0830495811,0.0830495811,GGA,P3m1,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-S-Te-W,9.0,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-S-Te-W +mp-1025924,Te4Mo(WS)2,-6.9703596144,-0.5694669614,0.1298248211,0.1298248211,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Te-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Te-W +mp-1025691,Te4Mo(WS)2,-7.0163027833,-0.6154101303,0.0838816522,0.0838816522,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Te-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Te-W +mp-1025710,Te4Mo(WS)2,-7.0168601433,-0.6159674903,0.0833242922,0.0833242922,GGA,P3m1,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-S-Te-W,9.0,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-S-Te-W +mp-1026352,Te4Mo(WS)2,-6.97124227,-0.5703496170000001,0.1289421656,0.1289421656,GGA,P-6m2,AB2C4D2_hP9_187_a_h_2g_h:Mo-S-Te-W,9.0,"Invalid WP multiplicities - AB2C4D2_hP9_187_a_h_3g_h:Mo-S-Te-W, expected Te6Mo(WS)2 to be Te4Mo(WS)2" +mp-1027036,Te6MoW3S2,-6.91536462,-0.5109666289,0.1103022075,0.1103022075,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W +mp-1028708,Te6MoW3S2,-6.9492716975,-0.5448737064,0.07639513,0.07639513,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W +mp-1028767,Te6MoW3S2,-6.9173428517,-0.5129448605,0.1083239758,0.1083239758,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W +mp-1028826,Te6MoW3S2,-6.9491635883,-0.5447655972000001,0.0765032392,0.0765032392,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W +mp-1029189,Te6MoW3S2,-6.9492751458,-0.5448771547,0.0763916817,0.0763916817,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W +mp-1030136,Te6MoW3S2,-6.9487883558,-0.5443903647,0.0768784717,0.0768784717,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W +mp-1030247,Te6MoW3S2,-6.94985312,-0.5454551289,0.0758137075,0.0758137075,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Te-W +mp-1029327,Te6MoW3S2,-6.9491464817,-0.5447484905000001,0.0765203458,0.0765203458,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Te-W +mp-1025629,Te6Mo2W,-6.4366985522,-0.4912245733,0.0089787,0.0089787,GGA,P3m1,A2B6C_hP9_156_ab_2a4b_a:Mo-Te-W,9.0,A2B6C_hP9_156_ab_2a4b_a:Mo-Te-W +mp-1025649,Te6Mo2W,-6.4366917989,-0.49121782,0.0089854533,0.0089854533,GGA,P-6m2,A2B6C_hP9_187_h_2gh_a:Mo-Te-W,9.0,"Invalid WP multiplicities - A2B6C_hP9_187_h_3g2h_a:Mo-Te-W, expected Te10Mo2W to be Te6Mo2W" +mp-1027115,MoW3(SeS3)2,-7.8779782283,-1.0837646486,0.0512081579,0.0512081579,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W +mp-1028917,MoW3(SeS3)2,-7.8784331817,-1.084219602,0.0507532046,0.0507532046,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W +mp-1027328,MoW3(SeS3)2,-7.8782812867,-1.084067707,0.0509050996,0.0509050996,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W +mp-1029037,MoW3(SeS3)2,-7.8952144975,-1.1010009178,0.0339718888,0.0339718888,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W +mp-1029232,MoW3(SeS3)2,-7.8780106717,-1.083797092,0.0511757146,0.0511757146,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Se-W +mp-1029234,MoW3(SeS3)2,-7.878310585799999,-1.0840970061,0.0508758004,0.0508758004,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W +mp-1030520,MoW3(SeS3)2,-7.89557078,-1.1013572003,0.0336156063,0.0336156063,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W +mp-1080151,MoW3(SeS3)2,-7.87729886,-1.0830852803,0.0518875263,0.0518875263,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Se-W +mp-1027795,Mo3W(SeS3)2,-7.5681573858,-1.1260238261,0.0327415104,0.0327415104,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W +mp-1026946,Mo3W(SeS3)2,-7.56748628,-1.1253527203,0.0334126162,0.0334126162,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W +mp-1027294,Mo3W(SeS3)2,-7.5674418417,-1.125308282,0.0334570546,0.0334570546,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W +mp-1027472,Mo3W(SeS3)2,-7.5683309033,-1.1261973436,0.0325679929,0.0325679929,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W +mp-1027537,Mo3W(SeS3)2,-7.5672109717,-1.125077412,0.0336879246,0.0336879246,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W +mp-1027600,Mo3W(SeS3)2,-7.549773935,-1.1076403753,0.0511249612,0.0511249612,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W +mp-1027641,Mo3W(SeS3)2,-7.5502581717,-1.108124612,0.0506407246,0.0506407246,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Se-W +mp-1027646,Mo3W(SeS3)2,-7.5671038392,-1.1249702795,0.0337950571,0.0337950571,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Se-W +mp-2224231,MgMo2W(Se2S)2,-6.691379772,-0.8407541576,0.3075022515,0.3075022515,GGA,P1,AB2C2D4E_aP10_1_a_2a_2a_4a_a:Mg-Mo-S-Se-W,10.0,AB2C2D4E_aP10_1_a_2a_2a_4a_a:Mg-Mo-S-Se-W +mp-2223051,MgMo2W(Se2S)2,-6.716354826,-0.8657292116,0.2825271975,0.2825271975,GGA,P3m1,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Se-W,10.0,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Se-W +mp-2222933,MgMo2W(Se2S)2,-6.734306822,-0.8836812076,0.2645752015,0.2645752015,GGA,P3m1,AB2C2D4E_hP10_156_c_2a_2a_4b_b:Mg-Mo-S-Se-W,10.0,AB2C2D4E_hP10_156_c_2a_2a_4b_b:Mg-Mo-S-Se-W +mp-2242185,MgMo2W(Se2S)2,-6.71928595,-0.8686603356,0.2795960735,0.2795960735,GGA,P3m1,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Se-W,10.0,AB2C2D4E_hP10_156_c_ab_2a_4b_a:Mg-Mo-S-Se-W +mp-2239894,MgMo2W(Se2S)2,-6.71050812,-0.8598825056,0.2883739035,0.2883739035,GGA,P3m1,AB2C2D4E_hP10_156_a_2b_2b_4a_a:Mg-Mo-S-Se-W,10.0,AB2C2D4E_hP10_156_a_2b_2b_4a_a:Mg-Mo-S-Se-W +mp-2239955,MgMo2W(Se2S)2,-6.710730147,-0.8601045326000001,0.2881518765,0.2881518765,GGA,P-6m2,AB2C2D4E_hP10_187_a_g_g_2h_d:Mg-Mo-S-Se-W,10.0,"Invalid WP multiplicities - AB2C2D4E_hP10_187_a_g_g_3h_d:Mg-Mo-S-Se-W, expected MgMo2W(Se3S)2 to be MgMo2W(Se2S)2" +mp-1027916,Te2Mo3WS6,-7.3530359467,-0.9696699843,0.0587766025,0.0587766025,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W +mp-1027304,Te2Mo3WS6,-7.352531175,-0.9691652127,0.0592813742,0.0592813742,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W +mp-1027379,Te2Mo3WS6,-7.3535412825,-0.9701753202,0.0582712667,0.0582712667,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W +mp-1030458,Te2Mo3WS6,-7.35253286,-0.9691668977,0.0592796892,0.0592796892,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W +mp-1027567,Te2Mo3WS6,-7.3530795975,-0.9697136352,0.0587329517,0.0587329517,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W +mp-1027612,Te2Mo3WS6,-7.2447825717,-0.8614166093000001,0.1670299775,0.1670299775,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W +mp-1027706,Te2Mo3WS6,-7.3517586317,-0.9683926693,0.0600539175,0.0600539175,GGA,P3m1,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_a2b_2a4b_2a_a:Mo-S-Te-W +mp-1027780,Te2Mo3WS6,-7.2431371367,-0.8597711743,0.1686754125,0.1686754125,GGA,P3m1,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W,12.0,A3B6C2D_hP12_156_2ab_2a4b_2a_b:Mo-S-Te-W +mp-1028433,Te6MoW3Se2,-6.8131677383,-0.5155261454,0.0596088121,0.0596088121,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W +mp-1028583,Te6MoW3Se2,-6.8134707725,-0.5158291796,0.0593057779,0.0593057779,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W +mp-1028595,Te6MoW3Se2,-6.7950156858,-0.4973740929,0.0777608646,0.0777608646,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W +mp-1028646,Te6MoW3Se2,-6.8129265958000005,-0.5152850029,0.0598499546,0.0598499546,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W +mp-1029255,Te6MoW3Se2,-6.8130040758,-0.5153624829,0.0597724746,0.0597724746,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W +mp-1030104,Te6MoW3Se2,-6.8133031067,-0.5156615137,0.0594734437,0.0594734437,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W +mp-1030107,Te6MoW3Se2,-6.8129393175,-0.5152977246,0.0598372329,0.0598372329,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-Se-Te-W +mp-1030448,Te6MoW3Se2,-6.7942075292,-0.4965659362,0.0785690212,0.0785690212,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-Se-Te-W +mp-1029143,Te6Mo3WSe2,-6.5404938442,-0.5949322712,0.0649551429,0.0649551429,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W +mp-1030160,Te6Mo3WSe2,-6.5586076692,-0.6130460962000001,0.0468413179,0.0468413179,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W +mp-1030194,Te6Mo3WSe2,-6.540088775,-0.5945272021,0.0653602121,0.0653602121,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W +mp-1030325,Te6Mo3WSe2,-6.5402659217,-0.5947043487,0.0651830654,0.0651830654,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W +mp-1030327,Te6Mo3WSe2,-6.5588070425,-0.6132454696,0.0466419446,0.0466419446,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W +mp-1030453,Te6Mo3WSe2,-6.54012708,-0.5945655071,0.0653219071,0.0653219071,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W +mp-1030577,Te6Mo3WSe2,-6.5399623183,-0.5944007454,0.0654866688,0.0654866688,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-Se-Te-W +mp-1030614,Te6Mo3WSe2,-6.539858565,-0.5942969921,0.0655904221,0.0655904221,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-Se-Te-W +mp-1028635,Te2Mo(WSe2)3,-7.1157184225,-0.7005416348,0.1414049246,0.1414049246,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W +mp-1028748,Te2Mo(WSe2)3,-7.0957163358,-0.6805395481000001,0.1614070113,0.1614070113,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W +mp-1028827,Te2Mo(WSe2)3,-7.0954633442,-0.6802865564,0.1616600029,0.1616600029,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W +mp-1028848,Te2Mo(WSe2)3,-7.0954223858,-0.6802455981000001,0.1617009613,0.1617009613,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W +mp-1029073,Te2Mo(WSe2)3,-7.0954291892,-0.6802524014,0.1616941579,0.1616941579,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W +mp-1030505,Te2Mo(WSe2)3,-7.0954637433,-0.6802869556000001,0.1616596038,0.1616596038,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-Se-Te-W +mp-1080171,Te2Mo(WSe2)3,-7.0954045508,-0.6802277631,0.1617187963,0.1617187963,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W +mp-1029421,Te2Mo(WSe2)3,-7.1157761733000005,-0.7005993856,0.1413471738,0.1413471738,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-Se-Te-W +mp-1028434,TeMoWSe3,-6.948541415,-0.7094046373,0.1992240113,0.1992240113,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1028531,TeMoWSe3,-6.9487512783,-0.7096145006,0.1990141479,0.1990141479,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1028544,TeMoWSe3,-7.0391290508,-0.7999922731,0.1086363754,0.1086363754,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1028979,TeMoWSe3,-7.0389406267,-0.7998038489,0.1088247996,0.1088247996,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-Se-Te-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-Se-Te-W +mp-1029165,TeMoWSe3,-7.0393807533,-0.8002439756,0.1083846729,0.1083846729,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1029243,TeMoWSe3,-7.0391731083,-0.8000363306,0.1085923179,0.1085923179,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-Se-Te-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-Se-Te-W +mp-1030163,TeMoWSe3,-6.9486332583,-0.7094964806,0.1991321679,0.1991321679,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-Se-Te-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-Se-Te-W +mp-1030466,TeMoWSe3,-7.0391572417,-0.8000204639,0.1086081846,0.1086081846,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1030617,TeMoWSe3,-7.0390647792,-0.7999280014,0.1087006471,0.1087006471,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1030509,TeMoWSe3,-6.9484509583000005,-0.7093141806000001,0.1993144679,0.1993144679,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-1080188,TeMoWSe3,-6.948773665,-0.7096368873000001,0.1989917613,0.1989917613,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-Se-Te-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-Se-Te-W +mp-1030784,TeMoWSe3,-6.9485355,-0.7093987223,0.1992299263,0.1992299263,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-Se-Te-W +mp-2223049,MgMoW2(Se2S)2,-6.887230059,-0.8253564326,0.3157622175,0.3157622175,GGA,P1,ABC2D4E2_aP10_1_a_a_2a_4a_2a:Mg-Mo-S-Se-W,10.0,ABC2D4E2_aP10_1_a_a_2a_4a_2a:Mg-Mo-S-Se-W +mp-2239829,MgMoW2(Se2S)2,-6.886881281,-0.8250076546,0.3161109955,0.3161109955,GGA,P1,ABC2D4E2_aP10_1_a_a_2a_4a_2a:Mg-Mo-S-Se-W,10.0,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Se-W +mp-2226441,MgMoW2(Se2S)2,-6.9180587110000005,-0.8561850846,0.2849335655,0.2849335655,GGA,Cm,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Se-W,10.0,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Se-W +mp-2240606,MgMoW2(Se2S)2,-6.918094011,-0.8562203846,0.2848982655,0.2848982655,GGA,Cm,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Se-W,10.0,ABC2D4E2_mC20_8_a_a_2a_4a_2a:Mg-Mo-S-Se-W +mp-2223073,MgMoW2(Se2S)2,-6.892961455,-0.8310878286000001,0.3100308215,0.3100308215,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2b_4a_2b:Mg-Mo-S-Se-W,10.0,ABC2D4E2_hP10_156_c_a_2b_4a_2b:Mg-Mo-S-Se-W +mp-2227105,MgMoW2(Se2S)2,-6.906138342,-0.8442647156,0.2968539345,0.2968539345,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Se-W,10.0,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Se-W +mp-2227612,MgMoW2(Se2S)2,-6.911230887,-0.8493572606,0.2917613895,0.2917613895,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_2a2b_2b:Mg-Mo-S-Se-W,10.0,ABC2D4E2_hP10_156_c_a_2a_2a2b_2b:Mg-Mo-S-Se-W +mp-2226850,MgMoW2(Se2S)2,-6.910931288,-0.8490576616000001,0.2920609885,0.2920609885,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Se-W,10.0,ABC2D4E2_hP10_156_c_a_2a_4b_ab:Mg-Mo-S-Se-W +mp-2240347,MgMoW2(Se2S)2,-6.910699883,-0.8488262566,0.2922923935,0.2922923935,GGA,P3m1,ABC2D4E2_hP10_156_c_a_2a_2a2b_2b:Mg-Mo-S-Se-W,10.0,ABC2D4E2_hP10_156_c_a_2a_2a2b_2b:Mg-Mo-S-Se-W +mp-1028539,Te2MoWSe2,-6.8452703642,-0.6649011838000001,0.0981687333,0.0981687333,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1028828,Te2MoWSe2,-6.84593444,-0.6655652597,0.0975046575,0.0975046575,GGA,P3m1,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W +mp-1028931,Te2MoWSe2,-6.8460010408,-0.6656318605,0.0974380567,0.0974380567,GGA,P3m1,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W +mp-1029102,Te2MoWSe2,-6.8456498658000005,-0.6652806855000001,0.0977892317,0.0977892317,GGA,P3m1,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W +mp-1029144,Te2MoWSe2,-6.8457068633,-0.6653376830000001,0.0977322342,0.0977322342,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1029245,Te2MoWSe2,-6.8651294658,-0.6847602855,0.0783096317,0.0783096317,GGA,P3m1,AB2C2D_hP12_156_2a_4a_4b_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_4a_4b_2b:Mo-Se-Te-W +mp-1030164,Te2MoWSe2,-6.8652368558,-0.6848676755,0.0782022417,0.0782022417,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1030165,Te2MoWSe2,-6.8263777425,-0.6460085622,0.117061355,0.117061355,GGA,P3m1,AB2C2D_hP12_156_2a_4b_4a_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_4b_4a_2b:Mo-Se-Te-W +mp-1030239,Te2MoWSe2,-6.8451758783,-0.664806698,0.0982632192,0.0982632192,GGA,P3m1,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W +mp-1030292,Te2MoWSe2,-6.84606434,-0.6656951597,0.0973747575,0.0973747575,GGA,P3m1,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W +mp-1030613,Te2MoWSe2,-6.8456459525,-0.6652767722,0.097793145,0.097793145,GGA,P3m1,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_4a_4b_ab:Mo-Se-Te-W +mp-1030508,Te2MoWSe2,-6.8457683917,-0.6653992113,0.0976707058,0.0976707058,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1023927,Te2MoWSe2,-6.8645407917,-0.6841716113,0.0788983058,0.0788983058,GGA,P3m1,AB2C2D_hP6_156_a_2a_2b_b:Mo-Se-Te-W,6.0,AB2C2D_hP6_156_a_2a_2b_b:Mo-Se-Te-W +mp-1023945,Te2MoWSe2,-6.8255551283,-0.6451859480000001,0.1178839692,0.1178839692,GGA,P3m1,AB2C2D_hP6_156_a_2b_2a_b:Mo-Se-Te-W,6.0,AB2C2D_hP6_156_a_2b_2a_b:Mo-Se-Te-W +mp-1029321,Te2MoWSe2,-6.8459791117,-0.6656099313,0.0974599858,0.0974599858,GGA,P3m1,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W +mp-1029329,Te2MoWSe2,-6.8456668717,-0.6652976913,0.0977722258,0.0977722258,GGA,P3m1,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_2a_2a2b_2a2b_2b:Mo-Se-Te-W +mp-1030695,Te2MoWSe2,-6.8451998408,-0.6648306605000001,0.0982392567,0.0982392567,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1030739,Te2MoWSe2,-6.8256331533,-0.645263973,0.1178059442,0.1178059442,GGA,P3m1,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W,12.0,AB2C2D_hP12_156_ab_2a2b_2a2b_ab:Mo-Se-Te-W +mp-1217374,Te2MoWSe2,-6.8474265367000005,-0.6670573563000001,0.0960125608,0.0960125608,GGA,P3m1,AB2C2D_hP6_156_a_ab_ab_b:Mo-Se-Te-W,6.0,AB2C2D_hP6_156_a_ab_ab_b:Mo-Se-Te-W +mp-1028597,Te2MoWSe2,-6.8262058717,-0.6458366913,0.1172332258,0.1172332258,GGA,P-3m1,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W,12.0,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W +mp-1028830,Te2MoWSe2,-6.8648980542,-0.6845288738,0.0785410433,0.0785410433,GGA,P-3m1,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W,12.0,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W +mp-1029066,Te2MoWSe2,-6.8256479833,-0.6452788030000001,0.1177911142,0.1177911142,GGA,P-3m1,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W,12.0,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W +mp-1029259,Te2MoWSe2,-6.8650985133,-0.684729333,0.0783405842,0.0783405842,GGA,P-3m1,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W,12.0,AB2C2D_hP12_164_d_2d_2d_d:Mo-Se-Te-W +mp-1028592,Te3MoWSe,-6.6676429042,-0.5460413212,0.0714698646,0.0714698646,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1028843,Te3MoWSe,-6.6860874392,-0.5644858562,0.0530253296,0.0530253296,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1029075,Te3MoWSe,-6.6669919583,-0.5453903754,0.0721208104,0.0721208104,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1029236,Te3MoWSe,-6.6673375908,-0.5457360079,0.0717751779,0.0717751779,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-Se-Te-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-Se-Te-W +mp-1029252,Te3MoWSe,-6.6857939542,-0.5641923712,0.0533188146,0.0533188146,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1030161,Te3MoWSe,-6.6870094458,-0.5654078629,0.0521033229,0.0521033229,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1030235,Te3MoWSe,-6.66741623,-0.5458146471,0.0716965387,0.0716965387,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-Se-Te-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-Se-Te-W +mp-1030295,Te3MoWSe,-6.6672281367,-0.5456265537,0.0718846321,0.0718846321,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1030375,Te3MoWSe,-6.6861449458,-0.5645433629000001,0.0529678229,0.0529678229,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1029281,Te3MoWSe,-6.6858833792,-0.5642817962000001,0.0532293896,0.0532293896,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-Se-Te-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-Se-Te-W +mp-1029284,Te3MoWSe,-6.6857405117,-0.5641389287,0.0533722571,0.0533722571,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-Se-Te-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-Se-Te-W +mp-1030682,Te3MoWSe,-6.6669436808,-0.5453420979,0.0721690879,0.0721690879,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-Se-Te-W +mp-1027070,Te2Mo(WS2)3,-7.572434645,-0.8369886627,0.1676653942,0.1676653942,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W +mp-1028929,Te2Mo(WS2)3,-7.5714728275,-0.8360268452,0.1686272117,0.1686272117,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W +mp-1028999,Te2Mo(WS2)3,-7.608343325,-0.8728973427000001,0.1317567142,0.1317567142,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W +mp-1027395,Te2Mo(WS2)3,-7.5707357717,-0.8352897893000001,0.1693642675,0.1693642675,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W +mp-1029076,Te2Mo(WS2)3,-7.5707438975,-0.8352979152000001,0.1693561417,0.1693561417,GGA,P3m1,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_2a4b_2a_a2b:Mo-S-Te-W +mp-1029118,Te2Mo(WS2)3,-7.6091183583,-0.873672376,0.1309816808,0.1309816808,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W +mp-1029248,Te2Mo(WS2)3,-7.5708910183,-0.8354450360000001,0.1692090208,0.1692090208,GGA,P3m1,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W,12.0,AB6C2D3_hP12_156_a_4a2b_2b_a2b:Mo-S-Te-W +mp-1026983,Te2Mo2SeS,-6.7026434242,-0.7675978656,0.0580734833,0.0580734833,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te +mp-1027339,Te2Mo2SeS,-6.7032689350000005,-0.7682233765,0.0574479725,0.0574479725,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te +mp-1027410,Te2Mo2SeS,-6.7039524825,-0.768906924,0.056764425,0.056764425,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2a_4b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2a_4b:Mo-S-Se-Te +mp-1030459,Te2Mo2SeS,-6.7052774008,-0.7702318423000001,0.0554395067,0.0554395067,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te +mp-1027581,Te2Mo2SeS,-6.70432108,-0.7692755215,0.0563958275,0.0563958275,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:Mo-S-Se-Te +mp-1030775,Te2Mo2SeS,-6.7046828592,-0.7696373006,0.0560340483,0.0560340483,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2a_4b:Mo-S-Se-Te,12.0,A2BCD2_hP12_156_2a2b_2a_2a_4b:Mo-S-Se-Te +mp-1025834,Te2Mo(WSe2)2,-7.0504928411,-0.7135852559,0.1182729967,0.1182729967,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-Se-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-Se-Te-W +mp-1025583,Te2Mo(WSe2)2,-7.0507112622,-0.713803677,0.1180545756,0.1180545756,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-Se-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-Se-Te-W +mp-1025702,Te2Mo(WSe2)2,-7.0774511178,-0.7405435325,0.09131472,0.09131472,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-Se-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-Se-Te-W +mp-1025705,Te2Mo(WSe2)2,-7.0508043667,-0.7138967814,0.1179614711,0.1179614711,GGA,P3m1,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-Se-Te-W,9.0,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-Se-Te-W +mp-1025574,Te2Mo(WSe2)2,-7.0771727889,-0.7402652036,0.0915930489,0.0915930489,GGA,P-6m2,AB4C2D2_hP9_187_a_2g_h_h:Mo-Se-Te-W,9.0,"Invalid WP multiplicities - AB4C2D2_hP9_187_a_3g_h_h:Mo-Se-Te-W, expected Te2Mo(WSe3)2 to be Te2Mo(WSe2)2" +mp-1028416,TeMoWSe2S,-7.17619285,-0.8302996741,0.1244628533,0.1244628533,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1028439,TeMoWSe2S,-7.1759479058,-0.8300547299000001,0.1247077975,0.1247077975,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1028528,TeMoWSe2S,-7.0905727192,-0.7446795432000001,0.2100829842,0.2100829842,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1026948,TeMoWSe2S,-7.0899391408,-0.7440459649000001,0.2107165625,0.2107165625,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1026976,TeMoWSe2S,-7.089909625,-0.7440164491,0.2107460783,0.2107460783,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1027049,TeMoWSe2S,-7.0901613333,-0.7442681574000001,0.21049437,0.21049437,GGA,P3m1,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W +mp-1027107,TeMoWSe2S,-7.0905061933,-0.7446130174000001,0.21014951,0.21014951,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1027119,TeMoWSe2S,-7.0899330225,-0.7440398466,0.2107226808,0.2107226808,GGA,P3m1,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W +mp-1027135,TeMoWSe2S,-7.1807454633,-0.8348522874000001,0.11991024,0.11991024,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1027138,TeMoWSe2S,-7.1803366475,-0.8344434716,0.1203190558,0.1203190558,GGA,P3m1,ABC2DE_hP12_156_2b_2a_4b_2a_2a:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2b_2a_4b_2a_2a:Mo-S-Se-Te-W +mp-1028873,TeMoWSe2S,-7.1808956358,-0.8350024599,0.1197600675,0.1197600675,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1028881,TeMoWSe2S,-7.0900861417,-0.7441929657,0.2105695617,0.2105695617,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1028939,TeMoWSe2S,-7.1964743142,-0.8505811382,0.1041813892,0.1041813892,GGA,P3m1,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W +mp-1028948,TeMoWSe2S,-7.1970981508,-0.8512049749,0.1035575525,0.1035575525,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1028959,TeMoWSe2S,-7.1966896783,-0.8507965024,0.103966025,0.103966025,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1027309,TeMoWSe2S,-7.1810079442,-0.8351147682000001,0.1196477592,0.1196477592,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1027348,TeMoWSe2S,-7.09016007,-0.7442668941,0.2104956333,0.2104956333,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1029025,TeMoWSe2S,-7.1759115942,-0.8300184182,0.1247441092,0.1247441092,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1029116,TeMoWSe2S,-7.1970637158,-0.8511705399,0.1035919875,0.1035919875,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1029153,TeMoWSe2S,-7.1965535583,-0.8506603824000001,0.104102145,0.104102145,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1029176,TeMoWSe2S,-7.1969464625,-0.8510532866,0.1037092408,0.1037092408,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1029249,TeMoWSe2S,-7.1965211425,-0.8506279666000001,0.1041345608,0.1041345608,GGA,P3m1,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W +mp-1030162,TeMoWSe2S,-7.1756823908,-0.8297892149,0.1249733125,0.1249733125,GGA,P3m1,ABC2DE_hP12_156_2a_2a_4b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_4b_2a_2b:Mo-S-Se-Te-W +mp-1030190,TeMoWSe2S,-7.0903134783,-0.7444203024,0.210342225,0.210342225,GGA,P3m1,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W +mp-1030297,TeMoWSe2S,-7.1817430825,-0.8358499066,0.1189126208,0.1189126208,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1030389,TeMoWSe2S,-7.1969085925,-0.8510154166,0.1037471108,0.1037471108,GGA,P3m1,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W +mp-1030515,TeMoWSe2S,-7.1963669858,-0.8504738099,0.1042887175,0.1042887175,GGA,P3m1,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_2a2b_2b_2b:Mo-S-Se-Te-W +mp-1030516,TeMoWSe2S,-7.1774251717,-0.8315319957,0.1232305317,0.1232305317,GGA,P3m1,ABC2DE_hP12_156_2a_2a_4b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2a_4b_2a_2b:Mo-S-Se-Te-W +mp-1030526,TeMoWSe2S,-7.0905113608,-0.7446181849,0.2101443425,0.2101443425,GGA,P3m1,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2a_2b_2a2b_2a_2b:Mo-S-Se-Te-W +mp-1030578,TeMoWSe2S,-7.1966842292,-0.8507910532,0.1039714742,0.1039714742,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1080189,TeMoWSe2S,-7.1964398283,-0.8505466524,0.104215875,0.104215875,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1080236,TeMoWSe2S,-7.1761064742,-0.8302132982,0.1245492292,0.1245492292,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1027526,TeMoWSe2S,-7.090422695,-0.7445295191,0.2102330083,0.2102330083,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1027713,TeMoWSe2S,-7.089530385,-0.7436372091,0.2111253183,0.2111253183,GGA,P3m1,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_2a2b_2b_ab:Mo-S-Se-Te-W +mp-1029380,TeMoWSe2S,-7.1809898033,-0.8350966274,0.1196658999999999,0.1196658999999999,GGA,P3m1,ABC2DE_hP12_156_2b_2a_4b_2a_2a:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_2b_2a_4b_2a_2a:Mo-S-Se-Te-W +mp-1030685,TeMoWSe2S,-7.1976087992,-0.8517156232,0.1030469042,0.1030469042,GGA,P3m1,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W,12.0,ABC2DE_hP12_156_ab_2a_4b_2a_ab:Mo-S-Se-Te-W +mp-1028478,MoW3(SeS)4,-7.6982052617,-1.0107480802,0.0933308292,0.0933308292,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Se-W +mp-1027112,MoW3(SeS)4,-7.6980272633,-1.0105700818,0.0935088275,0.0935088275,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Se-W +mp-1027140,MoW3(SeS)4,-7.6976386133,-1.0101814318,0.0938974775,0.0938974775,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1028855,MoW3(SeS)4,-7.6984184067,-1.0109612252,0.0931176842,0.0931176842,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1028930,MoW3(SeS)4,-7.7148685658,-1.0274113843,0.076667525,0.076667525,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1028947,MoW3(SeS)4,-7.7162967967,-1.0288396152,0.0752392942,0.0752392942,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1029026,MoW3(SeS)4,-7.7149650008,-1.0275078193,0.07657109,0.07657109,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Se-W +mp-1029031,MoW3(SeS)4,-7.7146609933,-1.0272038118,0.0768750975,0.0768750975,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1029062,MoW3(SeS)4,-7.69789414,-1.0104369585,0.0936419508,0.0936419508,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1030536,MoW3(SeS)4,-7.7153936108,-1.0279364293,0.07614248,0.07614248,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-1030566,MoW3(SeS)4,-7.7150109842,-1.0275538027,0.0765251067,0.0765251067,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Se-W +mp-1080152,MoW3(SeS)4,-7.6972921875,-1.009835006,0.0942439033,0.0942439033,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Se-W +mp-2219315,MgTe6Mo2(WS)2,-6.3319447431,-0.4595927566,0.2779373727,0.2779373727,GGA,P1,AB2C2D6E2_aP13_1_a_2a_2a_6a_2a:Mg-Mo-S-Te-W,13.0,AB2C2D6E2_aP13_1_a_2a_2a_6a_2a:Mg-Mo-S-Te-W +mp-2218902,MgTe6Mo2(WS)2,-6.3640051092,-0.4916531228,0.2458770065,0.2458770065,GGA,P3m1,AB2C2D6E2_hP13_156_a_ab_2b_4a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C2D6E2_hP13_156_a_ab_2b_4a2b_ab:Mg-Mo-S-Te-W +mp-2219998,MgTe6Mo2(WS)2,-6.35371025,-0.4813582636,0.2561718658,0.2561718658,GGA,P3m1,AB2C2D6E2_hP13_156_c_ab_2a_2a4b_ab:Mg-Mo-S-Te-W,13.0,AB2C2D6E2_hP13_156_c_ab_2a_2a4b_ab:Mg-Mo-S-Te-W +mp-2218338,MgTe2MoW3(Se2S)2,-6.8469906654,-0.7036461822000001,0.2634912404,0.2634912404,GGA,P1,ABC2D4E2F3_aP13_1_a_a_2a_4a_2a_3a:Mg-Mo-S-Se-Te-W,13.0,ABC2D4E2F3_mC26_8_a_a_2a_4a_2a_3a:Mg-Mo-S-Se-Te-W +mp-2218491,MgTe2MoW3(Se2S)2,-6.8680767331,-0.7247322499000001,0.2424051727,0.2424051727,GGA,P3m1,ABC2D4E2F3_hP13_156_a_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D4E2F3_hP13_156_a_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W +mp-2218515,MgTe2MoW3(Se2S)2,-6.8624260838,-0.7190816007,0.2480558219,0.2480558219,GGA,P3m1,ABC2D4E2F3_hP13_156_c_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D4E2F3_hP13_156_c_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W +mp-2218413,MgTe2MoW3(Se2S)2,-6.8630277231,-0.7196832399,0.2474541827,0.2474541827,GGA,P3m1,ABC2D4E2F3_hP13_156_c_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W,13.0,ABC2D4E2F3_hP13_156_c_a_2b_4a_2b_a2b:Mg-Mo-S-Se-Te-W +mp-2220114,MgMoW3S8,-7.5352206108,-1.0419960119,0.1591233227,0.1591233227,GGA,P3m1,ABC8D3_hP13_156_c_a_4a4b_a2b:Mg-Mo-S-W,13.0,ABC8D3_hP13_156_c_a_4a4b_a2b:Mg-Mo-S-W +mp-2219126,MgTe4Mo2W2(SeS)2,-6.5068301962,-0.5802311967,0.2916608385,0.2916608385,GGA,P1,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219293,MgTe4Mo2W2(SeS)2,-6.5216343246,-0.5950353252,0.27685671,0.27685671,GGA,P1,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219295,MgTe4Mo2W2(SeS)2,-6.5212559492,-0.5946569498000001,0.2772350854,0.2772350854,GGA,P1,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219042,MgTe4Mo2W2(SeS)2,-6.5082298131,-0.5816308137,0.2902612215,0.2902612215,GGA,P1,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_aP13_1_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219470,MgTe4Mo2W2(SeS)2,-6.5394306585,-0.612831659,0.2590603762,0.2590603762,GGA,Cm,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2218872,MgTe4Mo2W2(SeS)2,-6.5484108315,-0.6218118321,0.2500802031,0.2500802031,GGA,Cm,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219202,MgTe4Mo2W2(SeS)2,-6.5209866423000005,-0.5943876429,0.2775043923,0.2775043923,GGA,Cm,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219524,MgTe4Mo2W2(SeS)2,-6.53876597,-0.6121669706,0.2597250646,0.2597250646,GGA,Cm,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2226961,MgTe4Mo2W2(SeS)2,-6.5077090508,-0.5811100514,0.2907819838,0.2907819838,GGA,Cm,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_mC26_8_a_2a_2a_2a_4a_2a:Mg-Mo-S-Se-Te-W +mp-2219738,MgTe4Mo2W2(SeS)2,-6.5419761969,-0.6153771975,0.2565148377,0.2565148377,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2a_2a_2b_2a2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2a_2a_2b_2a2b_2b:Mg-Mo-S-Se-Te-W +mp-2218847,MgTe4Mo2W2(SeS)2,-6.5141399392,-0.5875409398,0.2843510954,0.2843510954,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2b_2a_2a_4b_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2b_2a_2a_4b_2a:Mg-Mo-S-Se-Te-W +mp-1099812,Ba2Sr2CoCu3O10,-6.1110756631,-1.8838666796,0.1345061029,0.1345061029,GGA+U,P1,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ba-Co-Cu-O-Sr,144.0,A2BC3D10E2_aP144_1_16a_8a_24a_80a_16a:Ba-Co-Cu-O-Sr +mp-1076600,Ba3Sr5Co3Cu5O24,-6.1596233495,-1.7909756522,0.0727565245,0.0727565245,GGA+U,P1,A3B3C5D24E5_aP40_1_3a_3a_5a_24a_5a:Ba-Co-Cu-O-Sr,40.0,A3B3C5D24E5_aP40_1_3a_3a_5a_24a_5a:Ba-Co-Cu-O-Sr +mp-1076881,Ba3Sr5Co3(CuO4)5,-6.1551137195,-1.8506928016,0.1929443623,0.1929443623,GGA+U,P1,A3B3C5D20E5_aP144_1_12a_12a_20a_80a_20a:Ba-Co-Cu-O-Sr,144.0,A3B3C5D20E5_aP144_1_12a_12a_20a_80a_20a:Ba-Co-Cu-O-Sr +mp-1076342,Ba7SrCoCu7O24,-5.9375166797,-1.6963763900000002,0.0913031963,0.0913031963,GGA+U,R3m,A7BC7D24E_hR120_160_a2b_a_a2b_4b2c_a:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A7BC7D24E_hR120_160_a6b_a_a4b_12b9c_a:Ba-Co-Cu-O-Sr, expected Ba19SrCoCu13O90 to be Ba7SrCoCu7O24" +mp-1076247,Ba6Sr2CoCu7O24,-5.9423109438,-1.7069076912,0.0834167463,0.0834167463,GGA+U,Amm2,A6BC7D24E2_oC80_38_cf_a_a2bde_2c4d4ef_c:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A6BC7D24E2_oC80_38_2c3f_a_a2bde_4c8d8e2f_c:Ba-Co-Cu-O-Sr, expected Ba16Sr2CoCu7O48 to be Ba6Sr2CoCu7O24" +mp-1076896,Ba4Sr4Co3(CuO4)5,-6.1747021534,-1.8639067497,0.1777323374,0.1777323374,GGA+U,P1,A4B3C5D20E4_aP144_1_16a_12a_20a_80a_16a:Ba-Co-Cu-O-Sr,144.0,A4B3C5D20E4_aP144_1_16a_12a_20a_80a_16a:Ba-Co-Cu-O-Sr +mp-1076893,Ba2Sr6Co5Cu3O20,-6.4343060863,-1.9690868138,0.1201930138,0.1201930138,GGA+U,P1,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ba-Co-Cu-O-Sr,144.0,A2B5C3D20E6_aP144_1_8a_20a_12a_80a_24a:Ba-Co-Cu-O-Sr +mp-1099886,Ba3SrCo(CuO4)3,-6.043341626,-1.7327105953,0.0952557661,0.0952557661,GGA+U,Amm2,A3BC3D12E_oC40_38_ad_b_be_2ad4e_a:Ba-Co-Cu-O-Sr,20.0,"Invalid WP multiplicities - A3BC3D12E_oC40_38_a2d_b_be_2ad8e_a:Ba-Co-Cu-O-Sr, expected Ba5SrCoCu3O20 to be Ba3SrCo(CuO4)3" +mp-1076683,Ba3Sr5Co4(CuO5)4,-6.3530168326,-1.9650094945,0.1018939741,0.1018939741,GGA+U,P1,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ba-Co-Cu-O-Sr,144.0,A3B4C4D20E5_aP144_1_12a_16a_16a_80a_20a:Ba-Co-Cu-O-Sr +mp-1076264,Ba2Sr6Co3Cu5O24,-6.1618131605,-1.7989025004,0.0613850806,0.0613850806,GGA+U,P2,A2B3C5D24E6_mP40_3_e_a2b_a2c2d_2a2b2c2d8e_3e:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A2B3C5D24E6_mP40_3_e_a2d_a2b2c_2a2b2c2d12e_6e:Ba-Co-Cu-O-Sr, expected Ba2Sr12Co3Cu5O32 to be Ba2Sr6Co3Cu5O24" +mp-1099742,Ba2Sr6Co3(CuO4)5,-6.1769020649,-1.8788556326,0.1643193466,0.1643193466,GGA+U,P1,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ba-Co-Cu-O-Sr,144.0,A2B3C5D20E6_aP144_1_8a_12a_20a_80a_24a:Ba-Co-Cu-O-Sr +mp-1076296,Ba6Sr2CoCu7O20,-6.0046807088,-1.8483091738,0.1289574498,0.1289574498,GGA+U,P1,A6BC7D20E2_aP144_1_24a_4a_28a_80a_8a:Ba-Co-Cu-O-Sr,144.0,A6BC7D20E2_aP144_1_24a_4a_28a_80a_8a:Ba-Co-Cu-O-Sr +mp-1100068,BaSr7Co5Cu3O20,-6.3231358198,-1.864291033,0.2282360113,0.2282360113,GGA+U,P1,AB5C3D20E7_aP144_1_4a_20a_12a_80a_28a:Ba-Co-Cu-O-Sr,144.0,AB5C3D20E7_aP144_1_4a_20a_12a_80a_28a:Ba-Co-Cu-O-Sr +mp-1076898,BaSr3Co2(CuO5)2,-6.3579965796,-1.9763637272,0.0925378181,0.0925378181,GGA+U,P1,AB2C2D10E3_aP144_1_8a_16a_16a_80a_24a:Ba-Co-Cu-O-Sr,144.0,AB2C2D10E3_aP144_1_8a_16a_16a_80a_24a:Ba-Co-Cu-O-Sr +mp-1221263,Na4Ca7MnSi12(HO9)4,-7.5102373842,-3.053255669,0.0,-0.000213296,GGA+U,P1,A7B4CD4E36F12_aP64_1_7a_4a_a_4a_36a_12a:Ca-H-Mn-Na-O-Si,64.0,A7B4CD4E36F12_aP64_1_7a_4a_a_4a_36a_12a:Ca-H-Mn-Na-O-Si +mp-1221274,Na4Ca7MnSi12(HO9)4,-7.5099488633,-3.0529671481,0.0002885209,7.5225e-05,GGA+U,P1,A7B4CD4E36F12_aP64_1_7a_4a_a_4a_36a_12a:Ca-H-Mn-Na-O-Si,64.0,A7B4CD4E36F12_aP64_1_7a_4a_a_4a_36a_12a:Ca-H-Mn-Na-O-Si +mp-1195048,NaCaMn3Si5HO15,-8.0684639162,-2.8556247656,0.0019656392,0.0019656392,GGA+U,P-1,ABC3DE15F5_aP52_2_i_i_3i_i_15i_5i:Ca-H-Mn-Na-O-Si,52.0,ABC3DE15F5_aP52_2_i_i_3i_i_15i_5i:Ca-H-Mn-Na-O-Si +mp-1221526,Na2CaMn3(SiO3)6,-7.9804603177,-2.8561602735,0.0517075194,0.0517075194,GGA+U,P1,AB3C2D18E6_aP30_1_a_3a_2a_18a_6a:Ca-Mn-Na-O-Si,30.0,AB3C2D18E6_aP30_1_a_3a_2a_18a_6a:Ca-Mn-Na-O-Si +mp-1220925,NaPrTiNbO6F,-8.4254566809,-3.3625621954,0.0394620427,0.0394620427,GGA,Imma,ABCD6EF_oI44_74_e_a_c_2ej_d_b:F-Na-Nb-O-Pr-Ti,22.0,"Invalid WP multiplicities - ABCD6EF_oI44_74_e_a_c_4e2j_d_b:F-Na-Nb-O-Pr-Ti, expected NaPrTiNbO12F to be NaPrTiNbO6F" +mp-42897,NaPrTiNbO6F,-8.4294078064,-3.3665133209,0.0355109173,0.0355109173,GGA,P4_122,ABCD6EF_tP44_91_c_a_a_2c2d_b_b:F-Na-Nb-O-Pr-Ti,44.0,"Invalid WP multiplicities - ABCD6EF_tP44_91_c_a_a_7c10d_b_b:F-Na-Nb-O-Pr-Ti, expected NaPrTiNbO27F to be NaPrTiNbO6F" +mp-1221231,Na3PrTi2Nb2O12,-8.3242653295,-3.1191483153,0.0113958108,0.0113958108,GGA,P1,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Pr-Ti,20.0,A3B2C12DE2_aP20_1_3a_2a_12a_a_2a:Na-Nb-O-Pr-Ti +mp-1173713,Na3PrTi2Nb2O12,-8.3336948018,-3.1285777876,0.0019663386,0.0019663386,GGA,Pmc2_1,A3B2C12DE2_oP40_26_ac_c_ab5c_b_c:Na-Nb-O-Pr-Ti,40.0,"Invalid WP multiplicities - A3B2C12DE2_oP40_26_ac_c_2a2b14c_b_c:Na-Nb-O-Pr-Ti, expected Na3PrTi2Nb2O32 to be Na3PrTi2Nb2O12" +mp-2715217,Na6HfZn7(SO4)12,-6.2843093077,-2.0439173807,0.0171053782,0.0171053782,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Hf-Na-O-S-Zn,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Hf-Na-O-S-Zn +mp-2714462,Na4HfZnSi2SO12,-6.963916726,-2.6375174748,0.101837466,0.101837466,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Hf-Na-O-S-Si-Zn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Hf-Na-O-S-Si-Zn, expected Na14HfZnSi7SO60 to be Na4HfZnSi2SO12" +mp-2714727,Na6Hf7ZnSi6(SO8)6,-7.9154717605,-2.865378732,0.0574519359,0.0574519359,GGA,P1,A7B6C48D6E6F_aP222_1_21a_18a_144a_18a_18a_3a:Hf-Na-O-S-Si-Zn,222.0,A7B6C48D6E6F_aP222_1_21a_18a_144a_18a_18a_3a:Hf-Na-O-S-Si-Zn +mp-2713669,Na4Hf3ZnSi3(SO8)3,-7.5900791907,-2.7525201214,0.0951165254,0.0951165254,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Hf-Na-O-S-Si-Zn,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Hf-Na-O-S-Si-Zn +mp-2714196,Na14Hf3Zn5Si6(SO8)6,-6.7398802009,-2.4777179476,0.1207685303,0.1207685303,GGA,P1,A3B14C48D6E6F5_aP246_1_9a_42a_144a_18a_18a_15a:Hf-Na-O-S-Si-Zn,246.0,A3B14C48D6E6F5_aP246_1_9a_42a_144a_18a_18a_15a:Hf-Na-O-S-Si-Zn +mp-2713153,Na10Hf5Zn3Si6(SO8)6,-7.2894731077,-2.6535488201,0.111368009,0.111368009,GGA,P1,A5B10C48D6E6F3_aP234_1_15a_30a_144a_18a_18a_9a:Hf-Na-O-S-Si-Zn,234.0,A5B10C48D6E6F3_aP234_1_15a_30a_144a_18a_18a_9a:Hf-Na-O-S-Si-Zn +mp-2715639,Na8Hf3ZnSi5SO24,-7.4774560042,-2.913287382,0.0505993781,0.0505993781,GGA,P1,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Hf-Na-O-S-Si-Zn,126.0,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Hf-Na-O-S-Si-Zn +mp-2715829,Na6Hf6Zn2Si5S7O48,-7.6141940647,-2.6990512198000003,0.0818306251,0.0818306251,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Hf-Na-O-S-Si-Zn,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Hf-Na-O-S-Si-Zn +mp-2714030,Na2HfZn3(SO4)6,-6.5542981336,-2.1120565026,0.0078639286,0.0078639286,GGA,P3,AB2C24D6E3_hP108_143_2ab_2a2b2c_24d_6d_2a3b4c:Hf-Na-O-S-Zn,108.0,AB2C24D6E3_hP108_143_2ab_2a2b2c_24d_6d_2a3b4c:Hf-Na-O-S-Zn +mp-2712740,Na6HfZn3Si2(SO6)4,-6.502440811,-2.3077274055,0.1160002741,0.1160002741,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Hf-Na-O-S-Si-Zn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Hf-Na-O-S-Si-Zn +mp-2714085,Na2Hf4Zn4SiS11O48,-7.119164106,-2.3208768795,0.0149313126,0.0149313126,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Hf-Na-O-S-Si-Zn,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Hf-Na-O-S-Si-Zn +mp-2713353,Na4HfZn3SiS5O24,-6.5317047118,-2.2197410942,0.0684763836,0.0684763836,GGA,P1,AB4C24D5EF3_aP114_1_3a_12a_72a_15a_3a_9a:Hf-Na-O-S-Si-Zn,114.0,AB4C24D5EF3_aP114_1_3a_12a_72a_15a_3a_9a:Hf-Na-O-S-Si-Zn +mp-2715033,Na8HfZn3Si3(SO8)3,-6.4820835079,-2.3934536277,0.1213694938,0.1213694938,GGA,P1,AB8C24D3E3F3_aP126_1_3a_24a_72a_9a_9a_9a:Hf-Na-O-S-Si-Zn,126.0,AB8C24D3E3F3_aP126_1_3a_24a_72a_9a_9a_9a:Hf-Na-O-S-Si-Zn +mp-2716424,Na2Hf6Zn2Si3(S3O16)3,-7.6977669033,-2.6141564316,0.0207060534,0.0207060534,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Hf-Na-O-S-Si-Zn,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Hf-Na-O-S-Si-Zn +mp-2715049,Na10Hf4Zn4Si5S7O48,-7.021718717,-2.5138240907,0.1164233422,0.1164233422,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Hf-Na-O-S-Si-Zn,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Hf-Na-O-S-Si-Zn +mp-2714841,Na2Hf3Zn5(SO4)12,-6.8369869201,-2.1813613163,0.0008223684,0.0008223684,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Hf-Na-O-S-Zn,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Hf-Na-O-S-Zn +mp-2714760,Na10Hf2Zn6Si3(S3O16)3,-6.5194388448,-2.2676035411,0.0933050994,0.0933050994,GGA,P1,A2B10C48D9E3F6_aP234_1_6a_30a_144a_27a_9a_18a:Hf-Na-O-S-Si-Zn,234.0,A2B10C48D9E3F6_aP234_1_6a_30a_144a_27a_9a_18a:Hf-Na-O-S-Si-Zn +mp-2715569,Na2Hf2Zn2SiS5O24,-7.1009284816000005,-2.381289251,0.0373455002,0.0373455002,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Hf-Na-O-S-Si-Zn,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Hf-Na-O-S-Si-Zn +mp-2713116,Hf3ZnSiS5O24,-7.7261712231,-2.5508945427,0.0039675164,0.0039675164,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Hf-O-S-Si-Zn,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Hf-O-S-Si-Zn +mp-2713679,Na2HfZnSi(SO6)2,-7.0471770776,-2.4724157342,0.0987942573,0.0987942573,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Hf-Na-O-S-Si-Zn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Hf-Na-O-S-Si-Zn, expected Na2HfZnSiS3O20 to be Na2HfZnSi(SO6)2" +mp-2715899,Na10Hf6Zn2Si7S5O48,-7.5642015256,-2.8002475766,0.0993386486,0.0993386486,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Hf-Na-O-S-Si-Zn,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Hf-Na-O-S-Si-Zn +mp-2713901,Na6Hf4Zn4Si3(S3O16)3,-7.0808563222,-2.4356138445,0.0613703544,0.0613703544,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Hf-Na-O-S-Si-Zn,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Hf-Na-O-S-Si-Zn +mp-2713712,Na6Hf2Zn6SiS11O48,-6.5448383119,-2.1694962013,0.0368470377,0.0368470377,GGA,P1,A2B6C48D11EF6_aP222_1_6a_18a_144a_33a_3a_18a:Hf-Na-O-S-Si-Zn,222.0,A2B6C48D11EF6_aP222_1_6a_18a_144a_33a_3a_18a:Hf-Na-O-S-Si-Zn +mp-2715932,Na14Hf2Zn6Si5S7O48,-6.4904800169,-2.3501020756,0.1333802998,0.1333802998,GGA,P1,A2B14C48D7E5F6_aP246_1_6a_42a_144a_21a_15a_18a:Hf-Na-O-S-Si-Zn,246.0,A2B14C48D7E5F6_aP246_1_6a_42a_144a_21a_15a_18a:Hf-Na-O-S-Si-Zn +mp-2714799,Na14Hf6Zn2Si9(SO16)3,-7.5006303143,-2.8731151251,0.0703836605,0.0703836605,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Hf-Na-O-S-Si-Zn,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Hf-Na-O-S-Si-Zn +mp-2716251,Na6Hf2Zn2Si3(SO8)3,-6.996273015,-2.55190177,0.1344312322,0.1344312322,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Hf-Na-O-S-Si-Zn,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Hf-Na-O-S-Si-Zn +mp-2715576,Na14Hf4Zn4Si7S5O48,-7.0000758032,-2.6161292379,0.0973613426,0.0973613426,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Hf-Na-O-S-Si-Zn,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Hf-Na-O-S-Si-Zn +mp-2712592,Na2Hf3ZnSi2(SO6)4,-7.6632395573,-2.6662027272,0.0442157157,0.0442157157,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Hf-Na-O-S-Si-Zn,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Hf-Na-O-S-Si-Zn +mp-2714613,Na6Hf3ZnSi4(SO12)2,-7.5310815537,-2.8370524691,0.0850389434,0.0850389434,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Hf-Na-O-S-Si-Zn,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Hf-Na-O-S-Si-Zn +mp-2713876,HfZn(SO4)3,-7.1296710576,-2.2481094826,0.0,-0.1378836422,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Hf-O-S-Zn,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Hf-O-S-Zn, expected HfZn(SO12)3 to be HfZn(SO4)3" +mp-850538,Mn2Fe3Sn(PO4)6,-7.9129855756,-2.3867630706,0.02164718,0.02164718,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Mn-O-P-Sn, expected Mn2Fe3Sn(PO11)6 to be Mn2Fe3Sn(PO4)6" +mp-1177473,Li4Mn2Fe3Sn3O16,-7.0122935864,-1.9213821355,0.1173111913,0.1173111913,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Mn-O-Sn, expected Li4Mn2Fe3Sn3O20 to be Li4Mn2Fe3Sn3O16" +mp-1177412,Li4Mn3Fe2Sn(PO4)6,-7.6386100395,-2.4568176463,0.0863579942,0.0863579942,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Mn-O-P-Sn,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Mn-O-P-Sn +mp-776103,MnFe3Sn2(PO4)6,-7.7176162692,-2.334517193,0.0806451014,0.0806451014,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_22b_3b_2a:Fe-Mn-O-P-Sn, expected MnFe3Sn2(P3O22)3 to be MnFe3Sn2(PO4)6" +mp-1177457,Li4Mn2Fe3Sn(PO4)6,-7.5998735122,-2.4353809711,0.0809264436,0.0809264436,GGA+U,P1,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-Sn,40.0,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-Sn +mp-777053,Li4Mn3Fe2Sn3O16,-7.1287525468,-2.0131270215,0.0583682254,0.0583682254,GGA+U,P1,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Mn-O-Sn,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Mn-O-Sn +mp-776458,Li4Mn3Fe2Sn3O16,-7.1041998704,-1.9885743451,0.0829209018,0.0829209018,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Fe-Li-Mn-O-Sn,28.0,A2B4C3D16E3_aP28_1_2a_4a_3a_16a_3a:Fe-Li-Mn-O-Sn +mp-776118,Mn3FeSn2(PO4)6,-7.7983766614,-2.3768334695,0.0866696433,0.0866696433,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Fe-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_3b_2a:Fe-Mn-O-P-Sn, expected Mn3FeSn2(P3O22)3 to be Mn3FeSn2(PO4)6" +mp-776652,Mn3Fe2Sn(PO4)6,-7.8955661131,-2.3501215502,0.0762743472,0.0762743472,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Fe-Mn-O-P-Sn, expected Mn3Fe2Sn(PO11)6 to be Mn3Fe2Sn(PO4)6" +mp-1199983,Cu3Mo(HO2)4,-6.0206859695,-1.2527057202,0.063232739,0.063232739,GGA+U,Pnnm,A3B4CD8_oP64_58_abh_2gh_g_4g2h:Cu-H-Mo-O,64.0,A3B4CD8_oP64_58_abh_2gh_g_4g2h:Cu-H-Mo-O +mp-862560,Cu3Mo2(HO5)2,-6.7440164235,-1.4357070451,0.0296434238,0.0296434238,GGA+U,P-1,A3B2C2D10_aP17_2_ai_i_i_5i:Cu-H-Mo-O,17.0,"Invalid WP multiplicities - A3B2C2D10_aP17_2_ai_i_i_9i:Cu-H-Mo-O, expected Cu3Mo2(HO9)2 to be Cu3Mo2(HO5)2" +mp-1188402,Cu3Mo2(HO5)2,-6.6605041859,-1.3521948075,0.1131556615,0.1131556615,GGA+U,P-1,A3B2C2D10_aP17_2_ai_i_i_5i:Cu-H-Mo-O,17.0,A3B2C2D10_aP17_2_ai_i_i_5i:Cu-H-Mo-O +mp-696778,Cu3Mo2(HO5)2,-6.7483877526,-1.4400783743,0.0252720947,0.0252720947,GGA+U,P2_1/c,A3B2C2D10_mP34_14_ae_e_e_5e:Cu-H-Mo-O,34.0,A3B2C2D10_mP34_14_ae_e_e_5e:Cu-H-Mo-O +mp-1226362,Cu6Te2Mo2H2Cl4O15,-5.8498724952,-1.3029989008,0.0287127838,0.0287127838,GGA+U,P1,A4B6C2D2E15F2_aP31_1_4a_6a_2a_2a_15a_2a:Cl-Cu-H-Mo-O-Te,31.0,A4B6C2D2E15F2_aP31_1_4a_6a_2a_2a_15a_2a:Cl-Cu-H-Mo-O-Te +mp-2716501,Na2Zr4In4Si3(S3O16)3,-7.2470832091,-2.4072596511,0.0378002089,0.0378002089,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:In-Na-O-S-Si-Zr,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:In-Na-O-S-Si-Zr +mp-2713553,Na4Zr2In2Si3(SO8)3,-7.1831836695,-2.5701651786,0.0893866314,0.0893866314,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:In-Na-O-S-Si-Zr,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:In-Na-O-S-Si-Zr +mp-2712839,Zr2In2SiS5O24,-7.2657947431,-2.3414751798,0.0170348753,0.0170348753,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Zr,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Zr +mp-2715956,Na6Zr4In4Si5S7O48,-7.2015218873,-2.5169882852,0.0779822163,0.0779822163,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Zr,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Zr +mp-2714567,Na3ZrInSi2SO12,-7.1461295843,-2.6654140491,0.0841664367,0.0841664367,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:In-Na-O-S-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:In-Na-O-S-Si-Zr, expected Na13ZrInSi7SO72 to be Na3ZrInSi2SO12" +mp-2715874,Na10Zr4In4Si7S5O48,-7.1597866023,-2.614615781,0.1062054756,0.1062054756,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Zr,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Zr +mp-2714946,Na14Zr4In4Si9(SO16)3,-7.1235580279,-2.7041536187,0.0705222655,0.0705222655,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Zr,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Zr +mp-2714806,Na3Zr3InSi3(SO8)3,-7.5883208748,-2.7297210299,0.0723952362,0.0723952362,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Zr,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Zr +mp-2713469,Na5ZrIn3Si3(SO8)3,-6.799018503,-2.4189874505,0.1053109012,0.1053109012,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Zr +mp-2716195,Na8Zr2In2Si5SO24,-7.1044203201,-2.7434074593,0.0491581577,0.0491581577,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Zr,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Zr +mp-2712568,NaZrInSi(SO6)2,-7.2358217179,-2.4757999427,0.0510013996,0.0510013996,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:In-Na-O-S-Si-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:In-Na-O-S-Si-Zr, expected NaZrInSiS3O20 to be NaZrInSi(SO6)2" +mp-1218959,Sr10Ca4Cu10Bi11O40,-6.0646572733,-1.9843595449,0.092413271,0.092413271,GGA,I4/m,A11B4C10D40E10_tI150_87_aei_h_ei_2eg4i_ei:Bi-Ca-Cu-O-Sr,,"Invalid WP multiplicities - A11B4C10D40E10_tI150_87_ae2i_h_e2i_3e4g13i_2ei:Bi-Ca-Cu-O-Sr, expected Sr12Ca4Cu18Bi19O126 to be Sr10Ca4Cu10Bi11O40" +mp-1218932,Sr2CaCu2(BiO5)2,-5.9590182435,-1.7983790965000002,0.242536635,0.242536635,GGA,P4mm,A2BC2D10E2_tP34_99_2a2b_2a_2a2b_4a4b6c_a3b:Bi-Ca-Cu-O-Sr,34.0,"Invalid WP multiplicities - A2BC2D10E2_tP34_99_2a2b_2a_2a2b_4a4b12c_a3b:Bi-Ca-Cu-O-Sr, expected Sr2CaCu2(BiO8)2 to be Sr2CaCu2(BiO5)2" +mp-780454,SrCa2I6,-3.5295661533,-1.913911563,0.0379486267,0.0379486267,GGA,P2_1/c,A2B6C_mP36_14_2e_6e_e:Ca-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_mP36_14_7e_21e_e:Ca-I-Sr, expected SrCa7I21 to be SrCa2I6" +mp-1101357,SrCa2I6,-3.4869454978,-1.8712909074,0.0805692822,0.0805692822,GGA,P2_1/c,A2B6C_mP18_14_e_3e_a:Ca-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mP18_14_e_9e_a:Ca-I-Sr, expected SrCa2I18 to be SrCa2I6" +mp-755020,SrCa2I6,-3.47915091,-1.8634963196,0.08836387,0.08836387,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ca-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_5f_e:Ca-I-Sr, expected SrCa2I10 to be SrCa2I6" +mp-1101362,SrCa2I6,-3.4978672478,-1.8822126574,0.0696475322,0.0696475322,GGA,C2/c,A2B6C_mC36_15_f_3f_e:Ca-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_mC36_15_f_9f_e:Ca-I-Sr, expected SrCa2I18 to be SrCa2I6" +mp-771568,SrCa2I6,-3.4775628953,-1.8619083049,0.0899518847,0.0899518847,GGA,P2_12_12_1,A2B6C_oP36_19_2a_6a_a:Ca-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_oP36_19_5a_21a_a:Ca-I-Sr, expected SrCa5I21 to be SrCa2I6" +mp-780396,SrCa2I6,-3.5299563772,-1.9143017869,0.0375584028,0.0375584028,GGA,Pbcn,A2B6C_oP36_60_2c_3d_c:Ca-I-Sr,36.0,"Invalid WP multiplicities - A2B6C_oP36_60_5c_9d_c:Ca-I-Sr, expected SrCa5I18 to be SrCa2I6" +mp-755684,SrCa2I6,-3.5289606172,-1.9133060269,0.0385541628,0.0385541628,GGA,P4_2/mnm,A2B6C_tP18_136_e_fj_a:Ca-I-Sr,18.0,"Invalid WP multiplicities - A2B6C_tP18_136_e_2f3j_a:Ca-I-Sr, expected SrCa2I16 to be SrCa2I6" +mp-752695,SrCa2I6,-3.5208751256,-1.9052205352,0.0466396544,0.0466396544,GGA,P321,A2B6C_hP27_150_ef_3g_ad:Ca-I-Sr,27.0,"Invalid WP multiplicities - A2B6C_hP27_150_3e2f_16g_a2d:Ca-I-Sr, expected Sr5Ca15I96 to be SrCa2I6" +mp-754517,SrCa2I6,-3.5349062789,-1.9192516885,0.0326085011,0.0326085011,GGA,P-31m,A2B6C_hP9_162_c_k_b:Ca-I-Sr,9.0,A2B6C_hP9_162_c_k_b:Ca-I-Sr +mp-1209015,Sr2Ca2Cu3(BiO5)2,-6.0986810379,-2.0546982985,0.071348388,0.071348388,GGA,I4/mmm,A2B2C3D10E2_tI38_139_e_e_ae_c2eg_e:Bi-Ca-Cu-O-Sr,19.0,A2B2C3D10E2_tI38_139_e_e_ae_c2eg_e:Bi-Ca-Cu-O-Sr +mp-1191679,Sr2Ca3Cu4(BiO6)2,-6.1015947865,-2.0653401769,0.0636759656,0.0636759656,GGA,I4/mmm,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Bi-Ca-Cu-O-Sr,23.0,A2B3C4D12E2_tI46_139_e_ae_2e_2e2g_e:Bi-Ca-Cu-O-Sr +mp-552547,SrBiIO2,-5.5973078350000005,-2.2179625638,0.0,-0.1244209479,GGA,Cmcm,ABC2D_oC20_63_c_c_e_c:Bi-I-O-Sr,10.0,ABC2D_oC20_63_c_c_e_c:Bi-I-O-Sr +mp-1218884,Sr2CaCu2Bi2O9,-6.0068243581,-1.8953133089,0.1839075105,0.1839075105,GGA,Imm2,A2BC2D9E2_oI32_44_2a_a_2a_2a7b_2a:Bi-Ca-Cu-O-Sr,16.0,A2BC2D9E2_oI32_44_2a_a_2a_2a7b_2a:Bi-Ca-Cu-O-Sr +mp-768734,Sr2CaI6,-3.4883439797,-1.9078123256,0.0666361617,0.0666361617,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_19e_3e:Ca-I-Sr, expected Sr3CaI19 to be Sr2CaI6" +mp-771642,Sr2CaI6,-3.5070791581,-1.926547504,0.0479009833,0.0479009833,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_21e_7e:Ca-I-Sr, expected Sr7CaI21 to be Sr2CaI6" +mp-771643,Sr2CaI6,-3.4605747728000003,-1.8800431187,0.0944053686,0.0944053686,GGA,P2_1/c,AB6C2_mP36_14_e_6e_2e:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_mP36_14_e_21e_5e:Ca-I-Sr, expected Sr5CaI21 to be Sr2CaI6" +mp-1101358,Sr2CaI6,-3.523329255,-1.9427976009,0.0316508864,0.0316508864,GGA,P2_1/c,AB6C2_mP18_14_a_3e_e:Ca-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mP18_14_a_9e_e:Ca-I-Sr, expected Sr2CaI18 to be Sr2CaI6" +mp-756500,Sr2CaI6,-3.4926550756,-1.9121234215,0.0623250658,0.0623250658,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ca-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_5f_f:Ca-I-Sr, expected Sr2CaI10 to be Sr2CaI6" +mp-1101374,Sr2CaI6,-3.4580145822,-1.8774829281,0.0969655592,0.0969655592,GGA,C2/c,AB6C2_mC36_15_e_3f_f:Ca-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_mC36_15_e_9f_f:Ca-I-Sr, expected Sr2CaI18 to be Sr2CaI6" +mp-756798,Sr2CaI6,-3.5299711114,-1.9494394573,0.02500903,0.02500903,GGA,Pbcn,AB6C2_oP36_60_c_3d_2c:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_oP36_60_c_9d_7c:Ca-I-Sr, expected Sr7CaI18 to be Sr2CaI6" +mp-771645,Sr2CaI6,-3.5279669625,-1.9474353084,0.0270131789,0.0270131789,GGA,Pbcn,AB6C2_oP36_60_c_3d_d:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_oP36_60_c_9d_d:Ca-I-Sr, expected Sr2CaI18 to be Sr2CaI6" +mp-768570,Sr2CaI6,-3.4656703106,-1.8851386565,0.0893098308,0.0893098308,GGA,Cmce,AB6C2_oC36_64_a_eg_d:Ca-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_oC36_64_a_3e4g_d:Ca-I-Sr, expected Sr2CaI22 to be Sr2CaI6" +mp-771570,Sr2CaI6,-3.4728218233,-1.8922901693,0.0821583181,0.0821583181,GGA,P-4b2,AB6C2_tP36_117_ad_3i_ef:Ca-I-Sr,36.0,"Invalid WP multiplicities - AB6C2_tP36_117_2ad_14i_3e3f:Ca-I-Sr, expected Sr12Ca3I56 to be Sr2CaI6" +mp-756131,Sr2CaI6,-3.5271012156,-1.9465695615,0.0278789258,0.0278789258,GGA,P4_2/mnm,AB6C2_tP18_136_a_fj_e:Ca-I-Sr,18.0,"Invalid WP multiplicities - AB6C2_tP18_136_a_2f3j_e:Ca-I-Sr, expected Sr2CaI16 to be Sr2CaI6" +mp-756238,Sr2CaI6,-3.5326621644,-1.9521305104,0.0223179769,0.0223179769,GGA,P321,AB6C2_hP27_150_ad_3g_ef:Ca-I-Sr,27.0,"Invalid WP multiplicities - AB6C2_hP27_150_a2d_16g_3e2f:Ca-I-Sr, expected Sr15Ca5I96 to be Sr2CaI6" +mp-754710,Sr2CaI6,-3.5141484278,-1.9336167737,0.0408317136,0.0408317136,GGA,P-31m,AB6C2_hP9_162_a_k_d:Ca-I-Sr,9.0,AB6C2_hP9_162_a_k_d:Ca-I-Sr +mp-1516265,SrCaCuBiO6,-6.041255256,-1.9097631159,0.1668292539,0.1668292539,GGA,F-43m,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Cu-O-Sr,10.0,ABCD6E_cF40_216_a_c_b_f_d:Bi-Ca-Cu-O-Sr +mp-754610,Sr3CaI8,-3.47089825,-1.89914733,0.0806741179,0.0806741179,GGA,Cm,AB8C3_mC24_8_a_4a2b_ab:Ca-I-Sr,12.0,"Invalid WP multiplicities - AB8C3_tI24_139_a_m_b2d:Ca-I-Sr, expected Sr5CaI8 to be Sr3CaI8" +mp-1101363,Sr3CaI8,-3.4712836083,-1.8995326883,0.0802887596,0.0802887596,GGA,I4/mmm,AB8C3_tI24_139_a_m_bd:Ca-I-Sr,12.0,"Invalid WP multiplicities - AB8C3_tI24_139_a_m_b2d:Ca-I-Sr, expected Sr5CaI8 to be Sr3CaI8" +mp-1173287,Sr2Ca2Cu3BiO8,-5.9729543569,-2.0290915133,0.1663741207,0.1663741207,GGA,Fmmm,AB2C3D8E2_oF64_69_a_d_bc_2m_e:Bi-Ca-Cu-O-Sr,16.0,"Invalid WP multiplicities - AB2C3D8E2_oF64_69_a_d_bc_7m_e:Bi-Ca-Cu-O-Sr, expected Sr2Ca2Cu3BiO28 to be Sr2Ca2Cu3BiO8" +mp-1218434,SrBi3I3O4,-5.1009246664,-1.6993051447,0.0554531795,0.0554531795,GGA,I4mm,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-I-O-Sr,11.0,A3B3C4D_tI22_107_3a_3a_2b_a:Bi-I-O-Sr +mp-1218644,Sr5CaCu4(BiO2)4,-5.362647215,-1.6451308497,0.3265573005,0.3265573005,GGA,P2/m,A4BC4D8E5_mP22_10_mn_a_mn_2o_emn:Bi-Ca-Cu-O-Sr,22.0,A4BC4D8E5_mP22_10_mn_c_mn_2o_emn:Bi-Ca-Cu-O-Sr +mp-1209124,Sr2CaCu2Bi2IO8,-5.8649414759,-1.9705130743,0.0925951065,0.0925951065,GGA,Pmna,A2BC2DE8F2_oP32_53_h_a_h_d_2g2h_h:Bi-Ca-Cu-I-O-Sr,32.0,"Invalid WP multiplicities - A2BC2DE8F2_oP32_53_h_a_h_d_3g4h_h:Bi-Ca-Cu-I-O-Sr, expected Sr2CaCu2Bi2IO14 to be Sr2CaCu2Bi2IO8" +mp-1209382,Sr4Ca2Cu4Bi4IO16,-5.9904035744,-2.0178763968,0.0735814627,0.0735814627,GGA,Cccm,A4B2C4DE16F4_oC124_66_2l_l_2l_e_4g4l_2l:Bi-Ca-Cu-I-O-Sr,62.0,A4B2C4DE16F4_oC124_66_2l_l_2l_e_4g4l_2l:Bi-Ca-Cu-I-O-Sr +mp-1218930,Sr2CaCu2(BiO4)2,-6.1380736673,-2.0822411289,0.0392523917,0.0392523917,GGA,Ccc2,A2BC2D8E2_oC60_37_d_c_d_4d_d:Bi-Ca-Cu-O-Sr,30.0,A2BC2D8E2_oC60_37_d_c_d_4d_d:Bi-Ca-Cu-O-Sr +mp-555855,Sr2CaCu2(BiO4)2,-6.0969390747,-2.0411065362,0.0803869844,0.0803869844,GGA,I4/mmm,A2BC2D8E2_tI30_139_e_a_e_2eg_e:Bi-Ca-Cu-O-Sr,15.0,"Invalid WP multiplicities - A2BC2D8E2_tI30_139_e_a_e_3e2g_e:Bi-Ca-Cu-O-Sr, expected Sr2CaCu2(BiO7)2 to be Sr2CaCu2(BiO4)2" +mp-1227238,CaBiIO2,-5.632031042,-2.1894644855,0.0,-0.045549395,GGA,I4mm,ABCD2_tI10_107_a_a_a_b:Bi-Ca-I-O,5.0,ABCD2_tI10_107_a_a_a_b:Bi-Ca-I-O +mp-1101340,SrCaI4,-3.5617956883,-1.9637025661,0.0,-0.0016446829,GGA,P2/m,AB4C_mP6_10_b_mn_c:Ca-I-Sr,6.0,"Invalid WP multiplicities - AB4C_mP6_10_b_2mn_c:Ca-I-Sr, expected SrCaI6 to be SrCaI4" +mp-754730,SrCaI4,-3.4668603404,-1.8687672182,0.0949353479,0.093290665,GGA,C2/m,AB4C_mC48_12_gi_2i3j_hi:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mC48_12_g2i_4i5j_h2i:Ca-I-Sr, expected Sr3Ca3I14 to be SrCaI4" +mp-755061,SrCaI4,-3.5000340129,-1.9019408907,0.0617616754,0.0601169925,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ca-I-Sr, expected SrCaI11 to be SrCaI4" +mp-755980,SrCaI4,-3.5323403412000003,-1.934247219,0.0294553471,0.0278106642,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ca-I-Sr, expected SrCaI11 to be SrCaI4" +mp-850529,SrCaI4,-3.4752038754,-1.8771107532,0.0865918129,0.08494713,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_15e_e:Ca-I-Sr, expected SrCaI15 to be SrCaI4" +mp-752419,SrCaI4,-3.4858201792,-1.8877270569,0.0759755092,0.0743308263,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_13e_e:Ca-I-Sr, expected SrCaI13 to be SrCaI4" +mp-850279,SrCaI4,-3.4705497583,-1.8724566361,0.09124593,0.0896012471,GGA,P2_1/c,AB4C_mP24_14_e_4e_e:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_mP24_14_e_11e_e:Ca-I-Sr, expected SrCaI11 to be SrCaI4" +mp-1101345,SrCaI4,-3.4734260917,-1.8753329694,0.0883695967,0.0867249138,GGA,C2/c,AB4C_mC24_15_e_2f_e:Ca-I-Sr,12.0,"Invalid WP multiplicities - AB4C_mC24_15_e_5f_e:Ca-I-Sr, expected SrCaI10 to be SrCaI4" +mp-754885,SrCaI4,-3.5160985992,-1.9180054769,0.0456970892,0.0440524063,GGA,Pbcn,AB4C_oP24_60_c_2d_c:Ca-I-Sr,24.0,"Invalid WP multiplicities - AB4C_oP24_60_c_5d_c:Ca-I-Sr, expected SrCaI10 to be SrCaI4" +mp-1101341,SrCaI4,-3.5266920417,-1.9285989194,0.0351036467,0.0334589638,GGA,Cmmm,AB4C_oC12_65_a_gj_c:Ca-I-Sr,6.0,"Invalid WP multiplicities - AB4C_oC12_65_a_2gj_c:Ca-I-Sr, expected SrCaI6 to be SrCaI4" +mp-850277,SrCaI4,-3.5253474558,-1.9272543336,0.0364482325,0.0348035496,GGA,Imma,AB4C_oI24_74_e_hi_a:Ca-I-Sr,12.0,"Invalid WP multiplicities - AB4C_oI24_74_e_2h3i_a:Ca-I-Sr, expected SrCaI10 to be SrCaI4" +mp-850305,SrCaI4,-3.4710708275,-1.8729777053,0.0907248608,0.0890801779,GGA,I4_1/a,AB4C_tI24_88_a_f_b:Ca-I-Sr,12.0,AB4C_tI24_88_a_f_b:Ca-I-Sr +mp-1208800,SrCa2Cu2(BiO4)2,-6.0941506153,-2.0172443151,0.1180347502,0.1180347502,GGA,Cccm,A2B2C2D8E_oC60_66_l_l_l_2g2l_e:Bi-Ca-Cu-O-Sr,30.0,A2B2C2D8E_oC60_66_l_l_l_2g2l_e:Bi-Ca-Cu-O-Sr +mp-2714336,Na14Ti4Si11Sn4SO48,-7.2541351409,-2.7737495808,0.0372034603,0.0372034603,GGA,P1,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Ti,246.0,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Ti +mp-2716530,Na4TiSi3SnO12,-7.2343872742,-2.8138451947,0.0181375857,0.0181375857,GGA,P3,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Sn-Ti,126.0,A4B12C3DE_hP126_143_2a2b2c6d_24d_6d_2a3bc_2ab3c:Na-O-Si-Sn-Ti +mp-2716183,Na2Ti4Si5Sn4S7O48,-7.3516223447,-2.4403637243,0.0598986129,0.0598986129,GGA,P1,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Ti,210.0,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Ti +mp-2714232,Na10Ti4Si9Sn4(SO16)3,-7.2847252541,-2.6754460434,0.0896384172,0.0896384172,GGA,P1,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Ti,234.0,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Ti +mp-2713400,Na2Ti2Si3Sn2(SO8)3,-7.3441349839,-2.5146624536,0.0726498083,0.0726498083,GGA,P1,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Ti,108.0,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Ti +mp-2713907,Na6Ti2Si5Sn2SO24,-7.271649766,-2.7284285512,0.0604432635,0.0604432635,GGA,P1,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Ti,120.0,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Ti +mp-2713338,TiSiSn(SO6)2,-7.3639499254,-2.3660942683,0.0310659805,0.0310659805,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Sn-Ti,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Sn-Ti +mp-2712715,Na2TiSi2SnSO12,-7.3034896369,-2.6246756937,0.1080203031,0.1080203031,GGA,P1,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Sn-Ti,114.0,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Sn-Ti +mp-2712930,Na6Ti4Si7Sn4S5O48,-7.3202868553,-2.5681795454,0.093789229,0.093789229,GGA,P1,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Ti,222.0,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Ti +mp-2713315,Na2HfAl(PO4)3,-7.8747766959,-3.0354089326,0.0269967117,0.0269967117,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Al-Hf-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Al-Hf-Na-O-P, expected Na2HfAl(PO4)18 to be Na2HfAl(PO4)3" +mp-2715904,Na5Hf2Al2SiP5O24,-7.7793506162,-3.0298502105,0.0393054332,0.0393054332,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Hf-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Hf-Na-O-P-Si +mp-2716421,Na5HfAl3(PO4)6,-7.5424789695,-2.9525587875,0.0222057223,0.0222057223,GGA,P1,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Al-Hf-Na-O-P,117.0,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Al-Hf-Na-O-P +mp-2714868,Na3Hf3Al(PO4)6,-8.2410373654,-3.1387383678,0.0160457697,0.0160457697,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Hf-Na-O-P,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Hf-Na-O-P +mp-2715690,Na4HfAlSi2PO12,-7.5161204664,-3.0105457457,0.0506090026,0.0506090026,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Al-Hf-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Al-Hf-Na-O-P-Si, expected Na19HfAlSi12PO72 to be Na4HfAlSi2PO12" +mp-2715171,Na7Hf2Al2Si3(PO8)3,-7.6071709224,-3.0242539113,0.0433164047,0.0433164047,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Al-Hf-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Al-Hf-Na-O-P-Si +mp-2715255,Na3HfAlSi(PO6)2,-7.6847012057,-3.0205747898,0.0523452304,0.0523452304,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Al-Hf-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Al-Hf-Na-O-P-Si, expected Na3HfAlSi(PO15)2 to be Na3HfAlSi(PO6)2" +mp-2715477,Na3HfAlSi(PO6)2,-7.684948585,-3.0208221691,0.0520978512,0.0520978512,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Al-Hf-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Al-Hf-Na-O-P-Si, expected Na14Hf3Al3Si3(P5O36)2 to be Na3HfAlSi(PO6)2" +mp-560161,ZnCu3H6(ClO3)2,-4.9112686572,-1.1728839085,0.0421034299,0.0421034299,GGA,P-3m1,A2B3C6D6E_hP18_164_d_e_i_i_a:Cl-Cu-H-O-Zn,18.0,A2B3C6D6E_hP18_164_d_e_i_i_a:Cl-Cu-H-O-Zn +mp-1189352,ZnCu3H6(ClO3)2,-4.9160059361,-1.1776211874,0.037366151,0.037366151,GGA,R-3m,A2B3C6D6E_hR54_166_c_d_h_h_a:Cl-Cu-H-O-Zn,18.0,A2B3C6D6E_hR54_166_c_d_h_h_a:Cl-Cu-H-O-Zn +mp-1180341,MgZn(Cl2O3)2,-3.9430771183,-0.615218571,0.5501213745,0.5501213745,GGA,P-1,A4BC6D_aP24_2_4i_bc_6i_i:Cl-Mg-O-Zn,24.0,A4BC6D_aP24_2_4i_bc_6i_i:Cl-Mg-O-Zn +mp-2231619,MgZn2Cu2H6(ClO3)2,-4.7834340063,-1.307026508,0.1635609703,0.1635609703,GGA,Pm,A2B2C6DE6F2_mP19_6_ab_c_ab2c_a_ab2c_ab:Cl-Cu-H-Mg-O-Zn,19.0,"Invalid WP multiplicities - A2B2C6DE6F2_mP19_6_ab_c_ab3c_a_ab3c_ab:Cl-Cu-H-Mg-O-Zn, expected MgZn2Cu2H8(ClO4)2 to be MgZn2Cu2H6(ClO3)2" +mp-1105196,ZnCuH3ClO3,-4.8570024883,-1.2763656874,0.0334188854,0.0334188854,GGA,P2_1/m,ABC3D3E_mP18_11_e_a_ef_ef_e:Cl-Cu-H-O-Zn,18.0,ABC3D3E_mP18_11_e_a_ef_ef_e:Cl-Cu-H-O-Zn +mp-1217657,ZnCu15H24(ClO3)8,-4.9556055825000005,-1.0989098729,0.03606622,0.03606622,GGA,P-1,A8B15C24D24E_aP72_2_4i_bcd6i_12i_12i_h:Cl-Cu-H-O-Zn,72.0,"Invalid WP multiplicities - A8B15C24D24E_aP72_2_7i_bcd12i_24i_24i_h:Cl-Cu-H-O-Zn, expected ZnCu27H48(Cl7O24)2 to be ZnCu15H24(ClO3)8" +mp-1216483,ZnCu15H24(ClO3)8,-4.9485467331,-1.0918510235,0.0431250694,0.0431250694,GGA,R-3m,A8B15C24D24E_hR216_166_4c_ac2h_4h_4h_b:Cl-Cu-H-O-Zn,72.0,"Invalid WP multiplicities - A8B15C24D24E_hR216_166_7c_a2c8h_23h_23h_b:Cl-Cu-H-O-Zn, expected ZnCu53H138(Cl7O69)2 to be ZnCu15H24(ClO3)8" +mp-2230541,MgCu4H6(ClO3)2,-4.9226051695,-1.1473068228,0.1343412662,0.1343412662,GGA,Pm,A2B4C6DE6_mP19_6_ab_abc_ab2c_a_ab2c:Cl-Cu-H-Mg-O,19.0,"Invalid WP multiplicities - A2B4C6DE6_mP19_6_ab_abc_ab3c_a_ab3c:Cl-Cu-H-Mg-O, expected MgCu4H8(ClO4)2 to be MgCu4H6(ClO3)2" +mp-2230048,MgCu4H6(ClO3)2,-4.9556028963,-1.1803045496,0.1013435394,0.1013435394,GGA,C2/m,A2B4C6DE6_mC38_12_i_acf_ij_b_ij:Cl-Cu-H-Mg-O,19.0,"Invalid WP multiplicities - A2B4C6DE6_mC38_12_i_bc2e_2i3j_a_2i2j:Cl-Cu-H-Mg-O, expected MgCu6H16(ClO6)2 to be MgCu4H6(ClO3)2" +mp-1219608,RbLaTiNbO6F,-8.3500590055,-3.3041545083,0.1284463011,0.1284463011,GGA,Pmm2,ABCD6EF_oP11_25_a_c_b_a3b2d_c_b:F-La-Nb-O-Rb-Ti,11.0,ABCD6EF_oP11_25_a_c_b_a3b2d_c_b:F-La-Nb-O-Rb-Ti +mp-1219633,RbLa2Ti2NbO10,-8.8481955488,-3.4599627695,0.0295423677,0.0295423677,GGA,P4mm,A2BC10DE2_tP16_99_2b_a_4a3c_b_2a:La-Nb-O-Rb-Ti,16.0,A2BC10DE2_tP16_99_2b_a_4a3c_b_2a:La-Nb-O-Rb-Ti +mp-1190838,RbLaF4,-6.2644238842,-4.0040143762,0.0,-0.0510407736,GGA,Pnma,A4BC_oP24_62_4c_c_c:F-La-Rb,24.0,A4BC_oP24_62_4c_c_c:F-La-Rb +mp-1220995,NaNdTiNbO6F,-8.4289359509,-3.3672013129,0.042244521,0.042244521,GGA,Imma,ABCDE6F_oI44_74_e_a_c_d_2ej_b:F-Na-Nb-Nd-O-Ti,22.0,"Invalid WP multiplicities - ABCDE6F_oI44_74_e_a_c_d_4e2j_b:F-Na-Nb-Nd-O-Ti, expected NaNdTiNbO12F to be NaNdTiNbO6F" +mp-43134,NaNdTiNbO6F,-8.4328662473,-3.3711316093,0.0383142246,0.0383142246,GGA,P4_122,ABCDE6F_tP44_91_c_a_a_b_2c2d_b:F-Na-Nb-Nd-O-Ti,44.0,"Invalid WP multiplicities - ABCDE6F_tP44_91_c_a_a_b_6c11d_b:F-Na-Nb-Nd-O-Ti, expected NaNdTiNbO28F to be NaNdTiNbO6F" +mp-1221237,Na3NdTi2Nb2O12,-8.3283822145,-3.1239031164,0.0102640053,0.0102640053,GGA,P1,A3B2CD12E2_aP20_1_3a_2a_a_12a_2a:Na-Nb-Nd-O-Ti,20.0,A3B2CD12E2_aP20_1_3a_2a_a_12a_2a:Na-Nb-Nd-O-Ti +mp-1173718,Na3NdTi2Nb2O12,-8.3365972453,-3.1321181472,0.0020489746,0.0020489746,GGA,Pmc2_1,A3B2CD12E2_oP40_26_ac_c_b_ab5c_c:Na-Nb-Nd-O-Ti,40.0,"Invalid WP multiplicities - A3B2CD12E2_oP40_26_ac_c_b_2a2b12c_c:Na-Nb-Nd-O-Ti, expected Na3NdTi2Nb2O28 to be Na3NdTi2Nb2O12" +mp-643378,CuH4Pb2(ClO2)2,-5.0639389985,-1.3270749096,0.0179483017,0.0179483017,GGA,P4mm,A2BC4D4E2_tP13_99_ab_a_d_d_c:Cl-Cu-H-O-Pb,13.0,A2BC4D4E2_tP13_99_ab_a_d_d_c:Cl-Cu-H-O-Pb +mp-2224832,MgCuH4Pb2(ClO2)2,-4.8936137279,-1.3093627846,0.2479525793,0.2479525793,GGA,Pmm2,A2BC4DE4F2_oP14_25_ad_a_i_b_i_bc:Cl-Cu-H-Mg-O-Pb,14.0,A2BC4DE4F2_oP14_25_ad_a_i_b_i_bc:Cl-Cu-H-Mg-O-Pb +mp-773053,MgCr3Se3(SO8)3,-6.8078648997,-1.743834442,0.0,-0.0113942109,GGA+U,P1,A3BC24D3E3_aP34_1_3a_a_24a_3a_3a:Cr-Mg-O-S-Se,34.0,A3BC24D3E3_aP34_1_3a_a_24a_3a_3a:Cr-Mg-O-S-Se +mp-1021275,LiMg6Cr,-2.5064874406,0.138968889,0.1738555367,0.1738555367,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cr-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cr-Li-Mg, expected LiMg12Cr to be LiMg6Cr" +mp-1021291,LiMg6Cr,-2.5085029388,0.1369533908,0.1718400385,0.1718400385,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cr-Li-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cr-Li-Mg, expected LiMg12Cr to be LiMg6Cr" +mp-805196,Li2MgCr3(SO4)6,-2.0029051528,2.9392197490000003,5.0830701835,5.0830701835,GGA+U,P1,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Mg-O-S,36.0,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Mg-O-S +mp-1177996,Li2MgCr3(SO4)6,-7.06164844,-2.1195235382,0.0243268963,0.0243268963,GGA+U,P1,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Mg-O-S,36.0,A3B2CD24E6_aP36_1_3a_2a_a_24a_6a:Cr-Li-Mg-O-S +mp-1040094,LiMg30CrO32,-6.4103923309,-3.0062609154,0.0074804903,0.0074804903,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cr-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cr-Li-Mg-O, expected LiMg110CrO72 to be LiMg30CrO32" +mp-1040079,LiMg30CrO32,-6.414697247,-3.0105658315,0.0031755742,0.0031755742,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cr-Li-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cr-Li-Mg-O, expected LiMg90CrO80 to be LiMg30CrO32" +mp-773018,Li2MgCr3Se3(SO8)3,-6.7397278931,-1.8509811904,0.0401965348,0.0401965348,GGA+U,P1,A3B2CD24E3F3_aP36_1_3a_2a_a_24a_3a_3a:Cr-Li-Mg-O-S-Se,36.0,A3B2CD24E3F3_aP36_1_3a_2a_a_24a_3a_3a:Cr-Li-Mg-O-S-Se +mp-727163,LiMgCr7(SO4)12,-3.4478881723,1.742821853,3.8089383822,3.8089383822,GGA+U,P1,A7BCD48E12_aP69_1_7a_a_a_48a_12a:Cr-Li-Mg-O-S,69.0,A7BCD48E12_aP69_1_7a_a_a_48a_12a:Cr-Li-Mg-O-S +mp-1026793,LiMg14Cr,-2.0517579219,0.0711102679,0.1019290159,0.1019290159,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cr-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cr-Li-Mg, expected LiMg18Cr to be LiMg14Cr" +mp-1026816,LiMg14Cr,-2.0544459137,0.068422276,0.0992410241,0.0992410241,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cr-Li-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cr-Li-Mg, expected LiMg26Cr to be LiMg14Cr" +mp-1031027,LiMg6CrO8,-6.6371884919,-2.8411159715,0.0517287531,0.0517287531,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cr-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cr-Li-Mg-O, expected LiMg6CrO12 to be LiMg6CrO8" +mp-1031034,LiMg6CrO8,-6.6448877063000005,-2.8488151858,0.0440295387,0.0440295387,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cr-Li-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cr-Li-Mg-O, expected LiMg6CrO12 to be LiMg6CrO8" +mp-769544,MgCr3Se2(SO6)4,-6.9212915679,-1.8384217458,0.0061944581,0.0061944581,GGA+U,P1,A3BC24D4E2_aP34_1_3a_a_24a_4a_2a:Cr-Mg-O-S-Se,34.0,A3BC24D4E2_aP34_1_3a_a_24a_4a_2a:Cr-Mg-O-S-Se +mp-769552,LiMgCr3Se2(SO6)4,-6.9146033811,-1.9224177577,0.0014046739,0.0014046739,GGA+U,P1,A3BCD24E4F2_aP35_1_3a_a_a_24a_4a_2a:Cr-Li-Mg-O-S-Se,35.0,A3BCD24E4F2_aP35_1_3a_a_a_24a_4a_2a:Cr-Li-Mg-O-S-Se +mp-1035402,LiMg14CrO16,-6.4917531534,-2.9569747029,0.0164678091,0.0164678091,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cr-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cr-Li-Mg-O, expected LiMg18CrO20 to be LiMg14CrO16" +mp-1035434,LiMg14CrO16,-6.4841513431,-2.9493728926,0.0240696194,0.0240696194,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cr-Li-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cr-Li-Mg-O, expected LiMg30CrO32 to be LiMg14CrO16" +mp-769554,LiMgCr3(SO4)6,-7.1355396586,-2.1067518415,0.0086855678,0.0086855678,GGA+U,P1,A3BCD24E6_aP35_1_3a_a_a_24a_6a:Cr-Li-Mg-O-S,35.0,A3BCD24E6_aP35_1_3a_a_a_24a_6a:Cr-Li-Mg-O-S +mp-694995,LiMgCr3(SO4)6,-7.1365186874,-2.1077308703,0.0077065389,0.0077065389,GGA+U,P-1,A3BCD24E6_aP70_2_3i_i_i_24i_6i:Cr-Li-Mg-O-S,70.0,"Invalid WP multiplicities - A3BCD24E6_aP70_2_5i_i_i_47i_11i:Cr-Li-Mg-O-S, expected LiMgCr5S11O47 to be LiMgCr3(SO4)6" +mp-675896,Ca2NdF7,-6.3834702173,-4.1675002208,0.1610948252,0.1610948252,GGA,Cm,A2B7C_mC60_8_6a_21a_3a:Ca-F-Nd,30.0,A2B7C_mC60_8_6a_21a_3a:Ca-F-Nd +mp-676867,Ca2HoF7,-6.31331061,-4.1159144697,0.204763492,0.204763492,GGA,Cm,A2B7C_mC60_8_6a_21a_3a:Ca-F-Ho,30.0,A2B7C_mC60_8_6a_21a_3a:Ca-F-Ho +mp-673801,Ca3NdF9,-6.3235399031,-4.1705969969,0.1339255988,0.1339255988,GGA,P1,A3B9C_aP26_1_6a_18a_2a:Ca-F-Nd,26.0,A3B9C_aP26_1_6a_18a_2a:Ca-F-Nd +mp-720432,Na2Ca9NdY5HoF41,-6.5899652024,-4.2043889474,0.0434432803,0.0434432803,GGA,P1,A9B41CD2EF5_aP59_1_9a_41a_a_2a_a_5a:Ca-F-Ho-Na-Nd-Y,59.0,A9B41CD2EF5_aP59_1_9a_41a_a_2a_a_5a:Ca-F-Ho-Na-Nd-Y +mp-1234111,Sr4CaMn2Cu3(SO)4,-5.8037920161,-1.5972487606,0.4317468832,0.4317468832,GGA+U,P1,AB3C2D4E4F4_aP18_1_a_3a_2a_4a_4a_4a:Ca-Cu-Mn-O-S-Sr,18.0,AB3C2D4E4F4_mC36_5_a_a2b_c_2a2b_2c_2c:Ca-Cu-Mn-O-S-Sr +mp-1234487,Sr4CaMn2Cu3(SO)4,-6.0611004733,-1.8545572178,0.1744384259,0.1744384259,GGA+U,P1,AB3C2D4E4F4_aP18_1_a_3a_2a_4a_4a_4a:Ca-Cu-Mn-O-S-Sr,18.0,AB3C2D4E4F4_aP18_1_a_3a_2a_4a_4a_4a:Ca-Cu-Mn-O-S-Sr +mp-1048672,Sr4CaMn2(SO3)2,-6.886427451,-2.5503850324,0.0752509441,0.0752509441,GGA+U,P-4m2,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Mn-O-S-Sr,30.0,AB2C6D2E4_tP15_115_a_g_efg_g_2g:Ca-Mn-O-S-Sr +mp-1048631,Sr3CaMn2S2O5,-6.9523779523,-2.4597276358,0.091279944,0.091279944,GGA+U,I-4m2,AB2C5D2E3_tI26_119_c_e_a2f_e_be:Ca-Mn-O-S-Sr,13.0,"Invalid WP multiplicities - AB2C5D2E3_tI26_119_c_e_a3f_e_be:Ca-Mn-O-S-Sr, expected Sr3CaMn2S2O7 to be Sr3CaMn2S2O5" +mp-2714286,Na7La3MgSi3(SO8)3,-6.9383337465,-2.7170700592,0.1196928284,0.1196928284,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:La-Mg-Na-O-S-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:La-Mg-Na-O-S-Si +mp-2712635,Na6La4Mg4SiS11O48,-6.8606961735,-2.5032958345000003,0.053196341,0.053196341,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:La-Mg-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:La-Mg-Na-O-S-Si +mp-2713374,Na4La2Mg2SiS5O24,-6.8239984954,-2.5295044976,0.0798328948,0.0798328948,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:La-Mg-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:La-Mg-Na-O-S-Si +mp-2714164,NaLaMg(SO4)3,-6.8853994398000005,-2.4615979629,0.037290583,0.037290583,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:La-Mg-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:La-Mg-Na-O-S, expected NaLaMg(SO12)3 to be NaLaMg(SO4)3" +mp-2714736,NaLa3Mg(SO4)6,-7.1597953876,-2.5520795325,0.0237528009,0.0237528009,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:La-Mg-Na-O-S,105.0,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:La-Mg-Na-O-S +mp-2714708,Na10La4Mg4Si3(S3O16)3,-6.7761316296,-2.5413180067,0.113948667,0.113948667,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:La-Mg-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:La-Mg-Na-O-S-Si +mp-2713040,Na14La4Mg4Si5S7O48,-6.7394074215,-2.6152208351,0.118136811,0.118136811,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:La-Mg-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:La-Mg-Na-O-S-Si +mp-2714929,Na3LaMg3(SO4)6,-6.6435643557,-2.3937359393,0.0246477022,0.0246477022,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:La-Mg-Na-O-S,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:La-Mg-Na-O-S +mp-2712802,Na3LaMgSi(SO6)2,-6.7511681228,-2.5730508561,0.124462277,0.124462277,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:La-Mg-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:La-Mg-Na-O-S-Si, expected Na4LaMgSiS3O20 to be Na3LaMgSi(SO6)2" +mp-1223141,La6Mg(SiS7)2,-6.433143817,-2.0863065615,0.0,-0.0262525274,GGA,P3,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Mg-S-Si,23.0,A6BC14D2_hP23_143_2d_c_ab4d_ab:La-Mg-S-Si +mp-2715209,Na8La2Mg2Si3(SO8)3,-6.7015350627,-2.6287110289,0.12167602,0.12167602,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:La-Mg-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:La-Mg-Na-O-S-Si +mp-1192390,Na5Gd4Si4O16F,-8.8106000427,-3.2880371795,0.0,-0.0203583207,GGA,I-4,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Gd-Na-O-Si,30.0,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Gd-Na-O-Si +mp-1205813,Gd2MgSi2,-8.793830769,-0.6731986510000001,0.0,-0.0536484485,GGA,P4/mbm,A2BC2_tP10_127_h_a_g:Gd-Mg-Si,10.0,A2BC2_tP10_127_h_a_g:Gd-Mg-Si +mp-557538,Na2Gd2MgSi4(O6F)2,-8.494455907,-3.3952354849,0.0,-0.0152066666,GGA,P2_1/c,A2B2CD2E12F4_mP46_14_e_e_a_e_6e_2e:F-Gd-Mg-Na-O-Si,46.0,"Invalid WP multiplicities - A2B2CD2E12F4_mP46_14_e_e_a_e_21e_3e:F-Gd-Mg-Na-O-Si, expected Na2Gd2MgSi6(O21F)2 to be Na2Gd2MgSi4(O6F)2" +mp-2716463,Na2Ti4Ga4Si3(S3O16)3,-7.176834057,-2.3584845745,0.0441484763,0.0441484763,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Ti,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Ti +mp-2712648,NaTiGaSi(SO6)2,-7.1780921767,-2.4389479749,0.0498312911,0.0498312911,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ga-Na-O-S-Si-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ga-Na-O-S-Si-Ti, expected NaTiGaSiS3O20 to be NaTiGaSi(SO6)2" +mp-2715026,Na14Ti4Ga4Si9(SO16)3,-7.0811584737,-2.6800855922,0.0900482028,0.0900482028,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Ti,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Ti +mp-2713489,Na5TiGa3Si3(SO8)3,-6.8094005383,-2.4248302995,0.1222208944,0.1222208944,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Ti +mp-2715831,Na10Ti4Ga4Si7S5O48,-7.1091511504,-2.5832519354,0.1187867773,0.1187867773,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Ti,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Ti +mp-2713020,Ti2Ga2SiS5O24,-7.1804589693,-2.2782450719,0.0306311815,0.0306311815,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Ti,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Ti +mp-2716256,Na8Ti2Ga2Si5SO24,-7.0664783206,-2.7233605226,0.0693076731,0.0693076731,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Ti,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Ti +mp-2713696,Na4Ti2Ga2Si3(SO8)3,-7.1318357617,-2.5385960245,0.0960975997,0.0960975997,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Ti,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Ti +mp-2715953,Na6Ti4Ga4Si5S7O48,-7.1501377133,-2.4859174258,0.077790835,0.077790835,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Ti,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Ti +mp-2714482,Na3TiGaSi2SO12,-7.0987217165,-2.6367959974,0.1026949903,0.1026949903,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ga-Na-O-S-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Ga-Na-O-S-Si-Ti, expected Na13TiGaSi7SO72 to be Na3TiGaSi2SO12" +mp-2714628,Na3Ti3GaSi3(SO8)3,-7.4708415992,-2.6576529313,0.0694205519,0.0694205519,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Ti,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Ti +mp-2715288,Na3ScIn(PO4)3,-7.2268084469,-2.7942134084,0.018236749,0.018236749,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:In-Na-O-P-Sc,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:In-Na-O-P-Sc +mp-2715515,Na3ScIn(PO4)3,-7.2329298364,-2.8003347979,0.0121153595,0.0121153595,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:In-Na-O-P-Sc,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:In-Na-O-P-Sc +mp-2715539,Na7Sc2In2SiP5O24,-7.1493643705,-2.7923316301,0.0225487806,0.0225487806,GGA,P1,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:In-Na-O-P-Sc-Si,123.0,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:In-Na-O-P-Sc-Si +mp-1219254,ScInP2,-5.527712985,-0.5500235229,0.29831361,0.29831361,GGA,P-4m2,AB2C_tP4_115_a_g_c:In-P-Sc,4.0,AB2C_tP4_115_a_g_c:In-P-Sc +mp-1219383,Sc3InP4,-6.18027224,-0.7549846060000001,0.4146224075,0.4146224075,GGA,R3m,AB4C3_hR24_160_a_4a_3a:In-P-Sc,8.0,AB4C3_hR24_160_a_4a_3a:In-P-Sc +mp-1219281,ScIn3P4,-4.910739225,-0.3806479348,0.1464193175,0.1464193175,GGA,P-4m2,A3B4C_tP8_115_be_2g_c:In-P-Sc,8.0,"Invalid WP multiplicities - A3B4C_tP8_115_b2e_2g_c:In-P-Sc, expected ScIn5P4 to be ScIn3P4" +mp-2714522,Na4ScInSi(PO6)2,-7.0722415781,-2.7871729311,0.0230358716,0.0230358716,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:In-Na-O-P-Sc-Si,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:In-Na-O-P-Sc-Si +mp-1210794,Na2CaAl10(H3O10)2,-6.1358733662,-1.9975005646,0.8574969245,0.8574969245,GGA,Pmna,A10BC6D2E20_oP78_53_g2i_a_f2h_h_eh4i:Al-Ca-H-Na-O,78.0,A10BC6D2E20_oP78_53_g2i_a_f2h_h_eh4i:Al-Ca-H-Na-O +mp-1204100,Na2Ca2Al6Si9(H8O19)2,-7.0271420324,-2.6406303154,0.0118662846,0.0118662846,GGA,Fdd2,A6B2C16D2E38F9_oF584_43_3b_b_8b_b_19b_a4b:Al-Ca-H-Na-O-Si,146.0,A6B2C16D2E38F9_oF584_43_3b_b_8b_b_19b_a4b:Al-Ca-H-Na-O-Si +mp-1204300,Na2Ca2Al6Si9(H8O19)2,-7.0349487083,-2.6484369912,0.0040596087,0.0040596087,GGA,Fdd2,A6B2C16D2E38F9_oF584_43_3b_b_8b_b_19b_a4b:Al-Ca-H-Na-O-Si,146.0,A6B2C16D2E38F9_oF584_43_3b_b_8b_b_19b_a4b:Al-Ca-H-Na-O-Si +mp-777895,MnCr2Ni3(PO4)6,-7.667721914999999,-2.1952534599,0.0987975414,0.0987975414,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Cr-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_22b_2b:Cr-Mn-Ni-O-P, expected MnCr2Ni3(PO11)6 to be MnCr2Ni3(PO4)6" +mp-778885,Li10Mn3Cr2Ni3O16,-6.7413172815,-1.9657643726,0.0809560865,0.0809560865,GGA+U,Cm,A2B10C3D3E16_mC68_8_2a_6a2b_ab_ab_8a4b:Cr-Li-Mn-Ni-O,34.0,"Invalid WP multiplicities - A2B10C3D3E16_mC68_8_2a_6a3b_ab_ab_8a8b:Cr-Li-Mn-Ni-O, expected Li12Mn3Cr2(NiO8)3 to be Li10Mn3Cr2Ni3O16" +mp-757051,Li4Mn3Cr3(NiO8)2,-7.4874042782,-1.9592552606,0.0550093229,0.0550093229,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Cr-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Cr-Li-Mn-Ni-O, expected Li4Mn3Cr3(NiO10)2 to be Li4Mn3Cr3(NiO8)2" +mp-775171,Li4Mn2CrNi3(PO4)6,-7.4762199627,-2.372381871,0.0885123894,0.0885123894,GGA+U,P1,AB4C2D3E24F6_aP40_1_a_4a_2a_3a_24a_6a:Cr-Li-Mn-Ni-O-P,40.0,AB4C2D3E24F6_aP40_1_a_4a_2a_3a_24a_6a:Cr-Li-Mn-Ni-O-P +mp-776047,Mn3Cr2Ni(PO4)6,-8.0090593178,-2.3487087176,0.0791565982,0.0791565982,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cr-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_2b:Cr-Mn-Ni-O-P, expected Mn3Cr2Ni(PO11)6 to be Mn3Cr2Ni(PO4)6" +mp-760233,Mn2CrNi3(PO4)6,-7.6381839239,-2.1793552516,0.0891542049,0.0891542049,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Cr-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_22b_2b:Cr-Mn-Ni-O-P, expected Mn2CrNi3(PO11)6 to be Mn2CrNi3(PO4)6" +mp-774408,Li10Mn3Cr3(NiO8)2,-6.9456764971,-2.0562144473,0.0754423248,0.0754423248,GGA+U,P1,A3B10C3D2E16_aP34_1_3a_10a_3a_2a_16a:Cr-Li-Mn-Ni-O,34.0,A3B10C3D2E16_aP34_1_3a_10a_3a_2a_16a:Cr-Li-Mn-Ni-O +mp-758927,Mn3CrNi2(PO4)6,-7.8615027689,-2.308733024,0.0266835897,0.0266835897,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cr-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cr-Mn-Ni-O-P, expected Mn3CrNi2(PO11)6 to be Mn3CrNi2(PO4)6" +mp-2714556,Na4InGaSi(PO6)2,-6.6784235931,-2.5507060453,0.0558053501,0.0558053501,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ga-In-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ga-In-Na-O-P-Si +mp-2715768,Na7In2Ga2SiP5O24,-6.7411340428,-2.5452902332000003,0.0450199323,0.0450199323,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-In-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-In-Na-O-P-Si +mp-2715396,Na3InGa(PO4)3,-6.8080226629,-2.5406462785,0.0284472351,0.0284472351,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Ga-In-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Ga-In-Na-O-P +mp-2715465,Na3InGa(PO4)3,-6.8076922734,-2.540315889,0.0287776246,0.0287776246,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Ga-In-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Ga-In-Na-O-P +mp-1223642,InGaP2,-4.420372785,-0.2687765935,0.0390452175,0.0390452175,GGA,R3m,ABC2_hR12_160_a_a_2a:Ga-In-P,4.0,ABC2_hR12_160_a_a_2a:Ga-In-P +mp-760932,Li4Ti3Fe3(CuO8)2,-7.3256299921,-2.1799991398,0.0842715508,0.0842715508,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cu-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Cu-Fe-Li-O-Ti, expected Li4Ti3Fe3(CuO10)2 to be Li4Ti3Fe3(CuO8)2" +mp-778677,Li4TiFe3Cu2(PO4)6,-7.4086765255,-2.4001764114,0.0877425734,0.0877425734,GGA+U,P1,A2B3C4D24E6F_aP40_1_2a_3a_4a_24a_6a_a:Cu-Fe-Li-O-P-Ti,40.0,A2B3C4D24E6F_aP40_1_2a_3a_4a_24a_6a_a:Cu-Fe-Li-O-P-Ti +mp-777685,Ti3Fe2Cu(PO4)6,-8.1358811386,-2.6934903261,0.0368596156,0.0368596156,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cu-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_3b_3a:Cu-Fe-O-P-Ti, expected Ti3Fe2Cu(P3O22)3 to be Ti3Fe2Cu(PO4)6" +mp-757134,Li4Ti2Fe3Cu3O16,-6.9095923546,-1.8995431218,0.0641226392,0.0641226392,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cu-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cu-Fe-Li-O-Ti, expected Li4Ti2Fe3Cu3O20 to be Li4Ti2Fe3Cu3O16" +mp-778758,Li4Ti3Fe2Cu3O16,-7.1107129829,-2.1211826498,0.0650556886,0.0650556886,GGA+U,Cm,A3B2C4D16E3_mC56_8_ab_2a_4a_8a4b_ab:Cu-Fe-Li-O-Ti,28.0,"Invalid WP multiplicities - A3B2C4D16E3_mC56_8_ab_2a_4a_8a6b_ab:Cu-Fe-Li-O-Ti, expected Li4Ti3Fe2Cu3O20 to be Li4Ti3Fe2Cu3O16" +mp-775996,TiFe3Cu2(PO4)6,-7.6654385731,-2.312540987,0.0527812826,0.0527812826,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cu-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cu-Fe-O-P-Ti, expected TiFe3Cu2(PO11)6 to be TiFe3Cu2(PO4)6" +mp-776012,Ti3FeCu2(PO4)6,-7.9836888986,-2.6627096011,0.016667803,0.016667803,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cu-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_2b_3a:Cu-Fe-O-P-Ti, expected Ti3FeCu2(PO11)6 to be Ti3FeCu2(PO4)6" +mp-1366216,CuSbAs2O7,-6.0877938724,-1.344769718,0.2272732118,0.2272732118,GGA,P-1,A2BC7D_aP88_2_8i_4i_28i_4i:As-Cu-O-Sb,88.0,"Invalid WP multiplicities - A2BC7D_tI176_88_11f_f_51f_f:As-Cu-O-Sb, expected CuSbAs11O51 to be CuSbAs2O7" +mp-1210224,Na5Cu3As4HO16,-5.8464247352,-1.705512131,0.0,-0.0104300472,GGA,P-1,A4B3CD5E16_aP29_2_2i_bi_a_d2i_8i:As-Cu-H-Na-O,29.0,A4B3CD5E16_aP29_2_2i_bi_a_d2i_8i:As-Cu-H-Na-O +mp-1210396,NaCu5Sb2As6(H9O17)2,-5.76700987,-1.4141650738,0.0161546489,0.0161546489,GGA,P-1,A6B5C18DE34F2_aP66_2_3i_abdi_9i_h_17i_ce:As-Cu-H-Na-O-Sb,66.0,A6B5C18DE34F2_aP66_2_3i_abdi_9i_h_17i_ce:As-Cu-H-Na-O-Sb +mp-2713087,Na3Hf2SiSn2P5O24,-7.8351546334,-2.8861422744,0.0256369906,0.0256369906,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Sn +mp-2715231,Na3HfSi2SnPO12,-7.5768249371,-2.8988979438,0.0202172736,0.0202172736,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Sn,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Sn +mp-2715485,Na3HfSi2SnPO12,-7.573367874,-2.8954408806,0.0236743367,0.0236743367,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Sn,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Sn +mp-2712691,Na2HfSiSn(PO6)2,-7.7426955476,-2.8888008608,0.0350376947,0.0350376947,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Sn,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Sn +mp-2714397,Na7Hf2Si5Sn2PO24,-7.4931704822,-2.8967894932,0.0165910939,0.0165910939,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Sn,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Sn +mp-2714289,Na5Hf2Si3Sn2(PO8)3,-7.6547095319,-2.8910546878,0.0309824212,0.0309824212,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Sn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Sn +mp-2713197,NaHfSn(PO4)3,-7.9366700263,-2.88725568,0.0046214151,0.0046214151,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Sn,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Sn +mp-2713235,Na3LaTaSi2PO12,-7.8091036232,-2.9898254374,0.1358839295,0.1358839295,GGA,Cc,AB3C12DE2F_mC240_9_3a_9a_36a_3a_6a_3a:La-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - AB3C12DE2F_mC240_9_10a_30a_132a_10a_22a_10a:La-Na-O-P-Si-Ta, expected Na15La5Ta5Si11P5O66 to be Na3LaTaSi2PO12" +mp-2713673,Na3LaTaSi2PO12,-7.8068879312,-2.9876097453,0.1380996215,0.1380996215,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:La-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:La-Na-O-P-Si-Ta, expected Na13LaTaSi12PO72 to be Na3LaTaSi2PO12" +mp-2713994,NaLaTa(PO4)3,-8.2185645678,-3.0120933409,0.1033866925,0.1033866925,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:La-Na-O-P-Ta,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:La-Na-O-P-Ta, expected NaLaTa(PO12)3 to be NaLaTa(PO4)3" +mp-2712906,Na3LaTa3Si3(PO8)3,-8.3775705086,-3.0880216827,0.0606080653,0.0606080653,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-P-Si-Ta,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-P-Si-Ta +mp-2715617,Na2LaTa3Si2(PO6)4,-8.4905001063,-3.0910899469,0.0491745986,0.0491745986,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:La-Na-O-P-Si-Ta,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:La-Na-O-P-Si-Ta +mp-2715545,NaLaTa3SiP5O24,-8.6087059805,-3.093156697,0.0333212778,0.0333212778,GGA,P1,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:La-Na-O-P-Si-Ta,105.0,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:La-Na-O-P-Si-Ta +mp-2714825,Na6La5Ta3(PO4)12,-8.0430760906,-3.035113815,0.085742818,0.085742818,GGA,P1,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:La-Na-O-P-Ta,222.0,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:La-Na-O-P-Ta +mp-2715190,Na7La3TaSi3(PO8)3,-7.5847190941,-3.0198442971,0.0879496462,0.0879496462,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:La-Na-O-P-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:La-Na-O-P-Si-Ta +mp-2716499,Na10La7Ta(PO4)12,-7.7003506972,-3.0588664854,0.0674798318,0.0674798318,GGA,P1,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:La-Na-O-P-Ta,234.0,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:La-Na-O-P-Ta +mp-2713325,Na4La3Ta(PO4)6,-7.8725831708,-3.0526820069,0.0732682467,0.0732682467,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:La-Na-O-P-Ta,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:La-Na-O-P-Ta +mp-2714285,Na5La2Ta2Si3(PO8)3,-7.9025451193,-2.9939146932,0.1488136099,0.1488136099,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:La-Na-O-P-Si-Ta,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:La-Na-O-P-Si-Ta +mp-2712910,Na3La2Ta2SiP5O24,-8.1031530772,-3.0013286182,0.131585345,0.131585345,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-Si-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-Si-Ta +mp-2716359,Na5LaTa3Si5PO24,-8.1671692128,-3.0804413105,0.0636798089,0.0636798089,GGA,P1,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:La-Na-O-P-Si-Ta,117.0,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:La-Na-O-P-Si-Ta +mp-2714396,Na7La2Ta2Si5PO24,-7.7220989865,-2.987814395,0.1213044224,0.1213044224,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:La-Na-O-P-Si-Ta,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:La-Na-O-P-Si-Ta +mp-2715364,Na6La3TaSi2(PO6)4,-7.6829357064,-3.0373025598,0.087048811,0.087048811,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:La-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:La-Na-O-P-Si-Ta, expected Na12La6TaSi4(PO6)8 to be Na6La3TaSi2(PO6)4" +mp-2715276,Na6La3TaSi2(PO6)4,-7.6859162267,-3.0402830801,0.0840682907,0.0840682907,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:La-Na-O-P-Si-Ta,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:La-Na-O-P-Si-Ta +mp-2713878,LaTa3(PO4)6,-8.6927636885,-3.0542435678,0.0189696961,0.0189696961,GGA,P3,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:La-O-P-Ta,102.0,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:La-O-P-Ta +mp-2713957,Na2La3Ta5(PO4)12,-8.4676406108,-3.051317064,0.0471313023,0.0471313023,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:La-Na-O-P-Ta,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:La-Na-O-P-Ta +mp-2716163,Na8La3TaSi4(PO12)2,-7.4996923266,-3.0117302434,0.0740201232,0.0740201232,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:La-Na-O-P-Si-Ta,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:La-Na-O-P-Si-Ta +mp-2712816,Na2LaTaSi(PO6)2,-8.0023732009,-2.9996877851,0.1406363494,0.1406363494,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:La-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_72a_10a_3a_3a:La-Na-O-P-Si-Ta, expected Na6La3Ta3Si3(P5O36)2 to be Na2LaTaSi(PO6)2" +mp-2714933,Na4LaTa3Si4(PO12)2,-8.2664112111,-3.0809415435,0.0709714796,0.0709714796,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:La-Na-O-P-Si-Ta,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:La-Na-O-P-Si-Ta +mp-1197380,CoHgH18Br4N6Cl,-4.7375579729,-0.6549551826000001,0.0018568873,0.0018568873,GGA,P2_1/c,A4BCD18EF6_mP124_14_4e_e_e_18e_e_6e:Br-Cl-Co-H-Hg-N,124.0,A4BCD18EF6_mP124_14_4e_e_e_18e_e_6e:Br-Cl-Co-H-Hg-N +mp-1194564,CoHgN6Cl5,-4.6341276115,0.4946147738,0.9542348237,0.9542348237,GGA,P2_1/m,A5BCD6_mP26_11_3ef_e_e_2e2f:Cl-Co-Hg-N,26.0,A5BCD6_mP26_11_3ef_e_e_2e2f:Cl-Co-Hg-N +mp-1204961,CoHgN6Cl5,-5.1265776317,0.0021647537,0.4617848035,0.4617848035,GGA,Pnma,A5BCD6_oP52_62_3cd_c_c_2c2d:Cl-Co-Hg-N,52.0,A5BCD6_oP52_62_3cd_c_c_2c2d:Cl-Co-Hg-N +mp-1213803,Co(H3Br)2,-3.4942307483,-0.09748289,0.1662360567,0.1662360567,GGA,P2_1/m,A2BC6_mP18_11_2e_a_6e:Br-Co-H,18.0,A2BC6_mP18_11_2e_a_6e:Br-Co-H +mp-725423,MnFe2Sb2(PO4)6,-7.6849547534,-2.3832289162,0.0,-0.0110648756,GGA+U,R-3,A2BC24D6E2_hR105_148_c_a_4f_f_c:Fe-Mn-O-P-Sb,35.0,"Invalid WP multiplicities - A2BC24D6E2_hR105_148_c_a_17f_f_c:Fe-Mn-O-P-Sb, expected MnFe2Sb2(PO17)6 to be MnFe2Sb2(PO4)6" +mp-1176924,Li7Fe3Sb(PO4)6,-7.2007084454,-2.4665165174,0.0661147306,0.0661147306,GGA+U,R3,A3B7C24D6E_hR123_146_3a_a2b_8b_2b_a:Fe-Li-O-P-Sb,41.0,"Invalid WP multiplicities - A3B7C24D6E_hR123_146_3a_a2b_24b_6b_a:Fe-Li-O-P-Sb, expected Li7Fe3Sb(PO4)18 to be Li7Fe3Sb(PO4)6" +mp-757289,Li6Fe3Sb(PO4)6,-7.246063751,-2.4412400965,0.0738894463,0.0738894463,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Sb,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-Sb +mp-1177012,Li6Mn3Sb(PO4)6,-7.3391487878,-2.4824255771,0.0952264444,0.0952264444,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Sb,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Sb +mp-1176436,MnFe3Sb2(PO4)6,-7.7027056542,-2.3129716122,0.0605801664,0.0605801664,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Fe-Mn-O-P-Sb,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_22b_2b_2a:Fe-Mn-O-P-Sb, expected MnFe3Sb2(PO11)6 to be MnFe3Sb2(PO4)6" +mp-1177409,Li4Fe3Sb(PO4)4,-7.2928553193,-2.365177257,0.0946594427,0.0946594427,GGA+U,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Fe-Li-O-P-Sb,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Fe-Li-O-P-Sb +mp-1176991,Li6MnSb3(PO4)6,-7.0574329343,-2.4523604262,0.0885196597,0.0885196597,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-Sb,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-Sb +mp-753896,Li4Mn3Sb(PO4)4,-7.4880435046,-2.4862232193,0.0885328446,0.0885328446,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-Sb,28.0,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-Sb +mp-774898,Li4Mn2Fe3Sb3O16,-7.0578745986,-1.9541671421,0.0703168386,0.0703168386,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Mn-O-Sb, expected Li4Mn2Fe3Sb3O20 to be Li4Mn2Fe3Sb3O16" +mp-776746,Li8Fe7Sb(PO4)12,-7.4510703779,-2.4367122086,0.0118455822,0.0118455822,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Sb,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-Sb +mp-775013,Li4Mn3Fe3(SbO8)2,-7.2998308168,-2.0163728585,0.0050470939,0.0050470939,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Mn-O-Sb, expected Li4Mn3Fe3(SbO10)2 to be Li4Mn3Fe3(SbO8)2" +mp-776398,Li4Fe5Sb(PO4)6,-7.48895616,-2.3560775883,0.0858208146,0.0858208146,GGA+U,P1,A5B4C24D6E_aP40_1_5a_4a_24a_6a_a:Fe-Li-O-P-Sb,40.0,A5B4C24D6E_aP40_1_5a_4a_24a_6a_a:Fe-Li-O-P-Sb +mp-774490,Li4Mn3Fe2Sb3O16,-7.1183874825,-1.9899659517,0.061926817,0.061926817,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Fe-Li-Mn-O-Sb,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Fe-Li-Mn-O-Sb, expected Li4Mn3Fe2Sb3O20 to be Li4Mn3Fe2Sb3O16" +mp-1177350,Li4Mn5Sb(PO4)6,-7.6954447307,-2.4760668988,0.0985873968,0.0985873968,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-Sb,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-Sb +mp-776752,Li4Mn2Fe3Sb(PO4)6,-7.5783352962,-2.4108570205,0.085232491,0.085232491,GGA+U,P1,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-Sb,40.0,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-Sb +mp-1176842,Li8Mn7Sb(PO4)12,-7.5636024482,-2.4855079819,0.0135751676,0.0135751676,GGA+U,P1,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Sb,76.0,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Sb +mp-1176475,Mn3Fe2Sb(PO4)6,-7.8869876231,-2.3382255773,0.0781638342,0.0781638342,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Mn-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_3b_a:Fe-Mn-O-P-Sb, expected Mn3Fe2Sb(P3O22)3 to be Mn3Fe2Sb(PO4)6" +mp-775850,Mn2Fe3Sb(PO4)6,-7.9211673675,-2.3916273796,0.0067763851,0.0067763851,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Mn-O-P-Sb,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Mn-O-P-Sb, expected Mn2Fe3Sb(PO11)6 to be Mn2Fe3Sb(PO4)6" +mp-2714901,Na10Ca6Zr2Si3(S3O16)3,-6.86380782,-2.5907396853,0.0867579886,0.0867579886,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Zr,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Zr +mp-2714653,Na14Ca2Zr6Si9(SO16)3,-7.4571935539,-2.9146200459,0.0730602779,0.0730602779,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Zr,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Zr +mp-2715120,Na6Ca7Zr(SO4)12,-6.7717708617,-2.4798721037,0.0178476539,0.0178476539,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Zr,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Zr +mp-2716154,Na6Ca2Zr2Si3(SO8)3,-7.1225156386,-2.7113260001,0.1319431242,0.1319431242,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Zr,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Zr +mp-2714944,Na8Ca3ZrSi3(SO8)3,-6.7723501336,-2.6640040531,0.0944388195,0.0944388195,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Zr,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Zr +mp-2712803,Na6Ca3ZrSi2(SO6)4,-6.8256419842,-2.6102265685,0.1000569198,0.1000569198,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Zr,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Zr +mp-2712626,Na2CaZr3Si2(SO6)4,-7.631801955,-2.7315042618,0.0575939106,0.0575939106,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Zr,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Zr +mp-2713259,Na2CaZrSi(SO6)2,-7.1883897976,-2.648556461,0.1344147095,0.1344147095,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Ca-Na-O-S-Si-Zr,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Ca-Na-O-S-Si-Zr, expected Na2CaZrSiS3O20 to be Na2CaZrSi(SO6)2" +mp-2716486,Na2Ca2Zr6Si3(S3O16)3,-7.6751052946,-2.6909979352,0.0238529499,0.0238529499,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Zr,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Zr +mp-2716072,Na14Ca6Zr2Si5S7O48,-6.7976375458,-2.6370625213,0.1023576267,0.1023576267,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Zr,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Zr +mp-2714775,Na2Ca5Zr3(SO4)12,-7.1368678261,-2.4883734202,0.0,-0.0001816284,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Zr,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Zr +mp-2714997,Na10Ca4Zr4Si5S7O48,-7.1559940167,-2.6821318073,0.1317613907,0.1317613907,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Zr,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Zr +mp-7781,CaZrS3,-6.6252949135,-2.0327648914,0.0365724825,0.0365724825,GGA,Pnma,AB3C_oP20_62_c_cd_a:Ca-S-Zr,20.0,AB3C_oP20_62_c_cd_a:Ca-S-Zr +mp-2716243,Na8CaZr3Si5SO24,-7.4335552805,-2.9523059185,0.0481060339,0.0481060339,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Zr,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Zr +mp-2716097,Na10Ca2Zr6Si7S5O48,-7.5287178165,-2.8540615325000003,0.0962271898,0.0962271898,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Zr,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Zr +mp-2714130,Na14Ca5Zr3Si6(SO8)6,-6.9441824691,-2.6881078237,0.1135428767,0.1135428767,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Zr,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Zr +mp-2714296,Na2Ca4Zr4SiS11O48,-7.3129574382,-2.5525920477,0.0118568353,0.0118568353,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Zr,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Zr +mp-2714001,Na6Ca4Zr4Si3(S3O16)3,-7.2550909528,-2.6457204821,0.0683472644,0.0683472644,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Zr,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Zr +mp-2713932,CaZr(SO4)3,-7.32556301,-2.4830386191,0.0,-0.0172761063,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Ca-O-S-Zr,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Ca-O-S-Zr, expected CaZr(SO12)3 to be CaZr(SO4)3" +mp-2714675,Na6CaZr7Si6(SO8)6,-7.7884328505,-2.861590667,0.0681294623,0.0681294623,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Zr,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Zr +mp-2716004,Na6Ca2Zr6Si5S7O48,-7.5805317205,-2.7595134413,0.0983225604,0.0983225604,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Zr,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Zr +mp-2714608,Na4CaZrSi2SO12,-7.0798492747,-2.7850515535,0.094375859,0.094375859,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ca-Na-O-S-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Ca-Na-O-S-Si-Zr, expected Na14CaZrSi7SO60 to be Na4CaZrSi2SO12" +mp-2714299,Na2Ca3Zr(SO4)6,-6.9444201872,-2.4791763226,0.0140000766,0.0140000766,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Zr,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Zr +mp-2712716,Na6Ca6Zr2SiS11O48,-6.927808237,-2.5300855747,0.0397692693,0.0397692693,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Zr,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Zr +mp-2714323,Na6CaZr3Si4(SO12)2,-7.4919240542,-2.8849601928,0.085429174,0.085429174,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Zr,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Zr +mp-2714489,Na2Ca2Zr2SiS5O24,-7.2770989596,-2.5943281807,0.0470081738,0.0470081738,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Zr,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Zr +mp-2715523,Na14Ca4Zr4Si7S5O48,-7.13372464,-2.7821503737,0.0815102012,0.0815102012,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Zr,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Zr +mp-2712857,CaZr3SiS5O24,-7.7074877178,-2.6346407118,0.0015953985,0.0015953985,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Zr,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Zr +mp-2713291,Na4CaZr3Si3(SO8)3,-7.5548052667,-2.8088938008,0.1140622498,0.1140622498,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Zr,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Zr +mp-2713376,Na4Ca3ZrSiS5O24,-6.8985982698,-2.5648430625,0.0776545187,0.0776545187,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Zr,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Zr +mp-2713375,Na10Ca3Zr5Si6(SO8)6,-7.3405521797,-2.7662929329,0.1157980272,0.1157980272,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Zr,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Zr +mp-2716182,Na4LaSi2GePO12,-6.9959172738,-2.6876630245,0.1739526038,0.1739526038,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ge-La-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Ge-La-Na-O-P-Si, expected Na19LaSi12GePO72 to be Na4LaSi2GePO12" +mp-2714797,Na7La2Si3Ge2(PO8)3,-7.1376215096,-2.7568376644,0.1172786419,0.1172786419,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ge-La-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ge-La-Na-O-P-Si +mp-2715824,Na5La2SiGe2P5O24,-7.2521807244,-2.715179288,0.1463625842,0.1463625842,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-La-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-La-Na-O-P-Si +mp-2714762,Na3LaGe3(PO4)6,-7.2832240245,-2.5812507634,0.0782531608,0.0782531608,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ge-La-Na-O-P,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ge-La-Na-O-P +mp-2713640,Na2LaGe(PO4)3,-7.2967777451,-2.6755010292,0.1543089595,0.1543089595,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Ge-La-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Ge-La-Na-O-P, expected Na2LaGe(PO4)18 to be Na2LaGe(PO4)3" +mp-2715508,Na3LaSiGe(PO6)2,-7.1481761358,-2.6912362149,0.1893461988,0.1893461988,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ge-La-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Ge-La-Na-O-P-Si, expected Na14La3Si3Ge3(P5O36)2 to be Na3LaSiGe(PO6)2" +mp-2716397,Na5La3Ge(PO4)6,-7.4298222138,-2.8851037587,0.1035730969,0.1035730969,GGA,P1,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Ge-La-Na-O-P,117.0,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Ge-La-Na-O-P +mp-1234401,MgMn2Fe2(PO4)4,-7.98067004,-2.4740867416,0.0620283012,0.0620283012,GGA+U,P1,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:Fe-Mg-Mn-O-P,25.0,A2BC2D16E4_aP25_1_2a_a_2a_16a_4a:Fe-Mg-Mn-O-P +mp-1233671,MgMn2Fe2(PO4)4,-7.9578860596,-2.4513027612,0.0848122816,0.0848122816,GGA+U,Pm,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Mg-Mn-O-P,25.0,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Mg-Mn-O-P +mp-1233785,MgMn2Fe2(PO4)4,-7.9644198312,-2.4578365328,0.07827851,0.07827851,GGA+U,Pm,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Mg-Mn-O-P,25.0,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Mg-Mn-O-P +mp-1099831,Ca7MgMn7FeO20,-7.6924554477,-2.4930837341,0.1093827212,0.1093827212,GGA+U,P1,A7BCD7E20_aP144_1_28a_4a_4a_28a_80a:Ca-Fe-Mg-Mn-O,144.0,A7BCD7E20_aP144_1_28a_4a_4a_28a_80a:Ca-Fe-Mg-Mn-O +mp-1204766,CaMg2MnFe2(P2O13)2,-6.6878893543,-1.6441300707000002,0.4256447464,0.4256447464,GGA+U,P2/c,AB2C2DE26F4_mP72_13_e_ac_bf_e_13g_2g:Ca-Fe-Mg-Mn-O-P,72.0,AB2C2DE26F4_mP72_13_e_ac_bf_e_13g_2g:Ca-Fe-Mg-Mn-O-P +mp-1076214,Ca7MgMn7FeO24,-7.4968438888,-2.3227404754,0.163124127,0.163124127,GGA+U,R3m,A7BCD7E24_hR120_160_a2b_a_a_a2b_4b2c:Ca-Fe-Mg-Mn-O,40.0,"Invalid WP multiplicities - A7BCD7E24_hR120_160_a6b_a_a_a4b_12b10c:Ca-Fe-Mg-Mn-O, expected Ca19MgMn13FeO96 to be Ca7MgMn7FeO24" +mp-720205,Sr3Tm3Al4Si8N17O4,-7.560040586399999,-1.4475276951,0.4458293234,0.4458293234,GGA,P1,A4B17C4D8E3F3_aP78_1_8a_34a_8a_16a_6a_6a:Al-N-O-Si-Sr-Tm,78.0,A4B17C4D8E3F3_aP78_1_8a_34a_8a_16a_6a_6a:Al-N-O-Si-Sr-Tm +mp-558944,Tl2Cu3(SeO3)6,-5.5323085952,-1.1516612858,0.0,-2.5874e-06,GGA,P-1,A3B18C6D2_aP29_2_ai_9i_3i_i:Cu-O-Se-Tl,29.0,"Invalid WP multiplicities - A3B18C6D2_aP29_2_ai_18i_4i_i:Cu-O-Se-Tl, expected Tl2Cu3(Se2O9)4 to be Tl2Cu3(SeO3)6" +mp-696931,TlCuHSeO5,-5.3638620922,-1.1323142149,0.0192035245,0.0192035245,GGA,P2_1/m,ABC5DE_mP18_11_a_e_3ef_e_e:Cu-H-O-Se-Tl,18.0,ABC5DE_mP18_11_a_e_3ef_e_e:Cu-H-O-Se-Tl +mp-2232902,MgTlCu2(SeO5)2,-5.5536344056,-1.2648814928,0.1004006648,0.1004006648,GGA,Cm,A2BC10D2E_mC32_8_b_a_6a2b_2a_a:Cu-Mg-O-Se-Tl,16.0,A2BC10D2E_mC32_8_b_a_6a2b_2a_a:Cu-Mg-O-Se-Tl +mp-2228359,MgTl2Cu2H2(SeO5)2,-5.2955860795,-1.2025259826,0.1931880436,0.1931880436,GGA,Pm,A2B2CD10E2F2_mP19_6_c_ab_a_3a3b2c_ab_ab:Cu-H-Mg-O-Se-Tl,19.0,"Invalid WP multiplicities - A2B2CD10E2F2_mP19_6_c_ab_a_3a3b3c_ab_ab:Cu-H-Mg-O-Se-Tl, expected MgTl2Cu2H2(SeO6)2 to be MgTl2Cu2H2(SeO5)2" +mp-2231615,MgTl2Cu2H2(SeO5)2,-5.3524590789,-1.259398982,0.1363150441,0.1363150441,GGA,Pm,A2B2CD10E2F2_mP19_6_c_ab_a_3a3b2c_ab_ab:Cu-H-Mg-O-Se-Tl,19.0,"Invalid WP multiplicities - A2B2CD10E2F2_mP19_6_c_ab_a_3a3b3c_ab_ab:Cu-H-Mg-O-Se-Tl, expected MgTl2Cu2H2(SeO6)2 to be MgTl2Cu2H2(SeO5)2" +mp-1203931,Tl2CuH12(SeO7)2,-5.2824265768,-1.2249210795,0.0031843217,0.0031843217,GGA,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-Se-Tl,62.0,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-Se-Tl +mp-1180325,MgTlCu3Se4,-3.6923093078,-0.3318438503,0.3226770093,0.3226770093,GGA,P-43m,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-Tl,9.0,A3BC4D_cP9_215_c_a_e_b:Cu-Mg-Se-Tl +mp-1208134,TlCu2H(SeO5)2,-5.423492715,-1.0227119275,0.0470487229,0.0470487229,GGA,C2/m,A2BC10D2E_mC32_12_e_a_3ij_i_c:Cu-H-O-Se-Tl,16.0,A2BC10D2E_mC32_12_e_c_3ij_i_a:Cu-H-O-Se-Tl +mp-1197665,MgTl2H12(SeO7)2,-5.3750173369,-1.3981223758,0.0,-0.0049206053,GGA,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-Se-Tl,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-Se-Tl +mp-1105161,TlCu2(SeO5)2,-5.4139735393,-0.9459891024,0.0750059137,0.0750059137,GGA,C2/m,A2B10C2D_mC30_12_f_3ij_i_a:Cu-O-Se-Tl,15.0,A2B10C2D_mC30_12_e_3ij_i_a:Cu-O-Se-Tl +mp-2713133,Na4Mg3SiGeS5O24,-6.4945909461,-2.2961155353,0.0878051282,0.0878051282,GGA,P1,AB3C4D24E5F_aP114_1_3a_9a_12a_72a_15a_3a:Ge-Mg-Na-O-S-Si,114.0,AB3C4D24E5F_aP114_1_3a_9a_12a_72a_15a_3a:Ge-Mg-Na-O-S-Si +mp-2712838,MgSiGe3S5O24,-6.6987182825,-1.9840871045,0.0435232933,0.0435232933,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Ge-Mg-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Ge-Mg-O-S-Si +mp-2714893,Na6MgSi6Ge7(SO8)6,-6.8112904205,-2.2611783622,0.1423519305,0.1423519305,GGA,P1,A7BC6D48E6F6_aP222_1_21a_3a_18a_144a_18a_18a:Ge-Mg-Na-O-S-Si,222.0,A7BC6D48E6F6_aP222_1_21a_3a_18a_144a_18a_18a:Ge-Mg-Na-O-S-Si +mp-2714621,Na14Mg2Si9Ge6(SO16)3,-6.7137231807,-2.4682067008,0.1212615129,0.1212615129,GGA,P1,A6B2C14D48E3F9_aP246_1_18a_6a_42a_144a_9a_27a:Ge-Mg-Na-O-S-Si,246.0,A6B2C14D48E3F9_aP246_1_18a_6a_42a_144a_9a_27a:Ge-Mg-Na-O-S-Si +mp-2714494,Na2Mg2SiGe2S5O24,-6.6111733073,-2.1689576731,0.0779330133,0.0779330133,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ge-Mg-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ge-Mg-Na-O-S-Si +mp-2714148,Na2Mg3Ge(SO4)6,-6.5140621834,-2.1916136594,0.0111497105,0.0111497105,GGA,P3,AB3C2D24E6_hP108_143_2ab_2a3b4c_2a2b2c_24d_6d:Ge-Mg-Na-O-S,108.0,AB3C2D24E6_hP108_143_2ab_2a3b4c_2a2b2c_24d_6d:Ge-Mg-Na-O-S +mp-2714156,Na14Mg5Si6Ge3(SO8)6,-6.5059725717,-2.4181981395,0.1367110319,0.1367110319,GGA,P1,A3B5C14D48E6F6_aP246_1_9a_15a_42a_144a_18a_18a:Ge-Mg-Na-O-S-Si,246.0,A3B5C14D48E6F6_aP246_1_9a_15a_42a_144a_18a_18a:Ge-Mg-Na-O-S-Si +mp-2715655,Na14Mg4Si7Ge4S5O48,-6.582173357,-2.4418182422,0.1249892992,0.1249892992,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ge-Mg-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ge-Mg-Na-O-S-Si +mp-2715713,Na8MgSi5Ge3SO24,-6.7114953637,-2.5202302435,0.0943684899,0.0943684899,GGA,P1,A3BC8D24EF5_aP126_1_9a_3a_24a_72a_3a_15a:Ge-Mg-Na-O-S-Si,126.0,A3BC8D24EF5_aP126_1_9a_3a_24a_72a_3a_15a:Ge-Mg-Na-O-S-Si +mp-2715151,Na8Mg3Si3Ge(SO8)3,-6.4417991116,-2.4558490375,0.1146842904,0.1146842904,GGA,P1,AB3C8D24E3F3_aP126_1_3a_9a_24a_72a_9a_9a:Ge-Mg-Na-O-S-Si,126.0,AB3C8D24E3F3_aP126_1_3a_9a_24a_72a_9a_9a:Ge-Mg-Na-O-S-Si +mp-2713695,Na2MgSiGe(SO6)2,-6.5690424713,-2.2571034823,0.1686220073,0.1686220073,GGA,Cc,ABC2D12E2F_mC228_9_3a_3a_6a_36a_6a_3a:Ge-Mg-Na-O-S-Si,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC228_9_3a_3a_6a_60a_9a_3a:Ge-Mg-Na-O-S-Si, expected Na2MgSiGeS3O20 to be Na2MgSiGe(SO6)2" +mp-2716089,Na6Mg2Si5Ge6S7O48,-6.7108881683,-2.2190411906,0.1630217589,0.1630217589,GGA,P1,A6B2C6D48E7F5_aP222_1_18a_6a_18a_144a_21a_15a:Ge-Mg-Na-O-S-Si,222.0,A6B2C6D48E7F5_aP222_1_18a_6a_18a_144a_21a_15a:Ge-Mg-Na-O-S-Si +mp-2714861,Na10Mg6Si3Ge2(S3O16)3,-6.4812215878,-2.3399645368,0.1065194566,0.1065194566,GGA,P1,A2B6C10D48E9F3_aP234_1_6a_18a_30a_144a_27a_9a:Ge-Mg-Na-O-S-Si,234.0,A2B6C10D48E9F3_aP234_1_6a_18a_30a_144a_27a_9a:Ge-Mg-Na-O-S-Si +mp-2714230,Na2Mg4SiGe4S11O48,-6.5975673516,-2.08463011,0.0597418358,0.0597418358,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ge-Mg-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ge-Mg-Na-O-S-Si +mp-2714927,Na10Mg4Si5Ge4S7O48,-6.5625355815,-2.310724275,0.176492626,0.176492626,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ge-Mg-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ge-Mg-Na-O-S-Si +mp-2712786,Na6Mg3Si2Ge(SO6)4,-6.4651093353,-2.3782097262,0.1228677385,0.1228677385,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ge-Mg-Na-O-S-Si,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ge-Mg-Na-O-S-Si +mp-2714387,Na4MgSi2GeSO12,-6.5571624113,-2.4685548141,0.1240112166,0.1240112166,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ge-Mg-Na-O-S-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_14a_60a_a_7a:Ge-Mg-Na-O-S-Si, expected Na14MgSi7GeSO60 to be Na4MgSi2GeSO12" +mp-2713278,Na4MgSi3Ge3(SO8)3,-6.7120206614,-2.2866180943,0.1809122214,0.1809122214,GGA,P1,A3BC4D24E3F3_aP114_1_9a_3a_12a_72a_9a_9a:Ge-Mg-Na-O-S-Si,114.0,A3BC4D24E3F3_aP114_1_9a_3a_12a_72a_9a_9a:Ge-Mg-Na-O-S-Si +mp-2716567,Na10Mg3Si6Ge5(SO8)6,-6.6410462173,-2.3339577829,0.1722671861,0.1722671861,GGA,P1,A5B3C10D48E6F6_aP234_1_15a_9a_30a_144a_18a_18a:Ge-Mg-Na-O-S-Si,234.0,A5B3C10D48E6F6_aP234_1_15a_9a_30a_144a_18a_18a:Ge-Mg-Na-O-S-Si +mp-2716146,Na6Mg2Si3Ge2(SO8)3,-6.5648502284,-2.3701602201,0.1663935168,0.1663935168,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ge-Mg-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ge-Mg-Na-O-S-Si +mp-2714979,Na6Mg7Ge(SO4)12,-6.472008588,-2.2714870135,0.0032392202,0.0032392202,GGA,P1,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ge-Mg-Na-O-S,222.0,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ge-Mg-Na-O-S +mp-2713790,MgGe(SO4)3,-6.5875595622,-1.9997406186,0.0026043301,0.0026043301,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Ge-Mg-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Ge-Mg-O-S, expected MgGe(SO12)3 to be MgGe(SO4)3" +mp-2713855,Na6Mg4Si3Ge4(S3O16)3,-6.6071128165,-2.2317960001,0.1073322631,0.1073322631,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ge-Mg-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ge-Mg-Na-O-S-Si +mp-2714478,Na6MgSi4Ge3(SO12)2,-6.7186773452,-2.4161969377,0.1454412073,0.1454412073,GGA,P1,A3BC6D24E2F4_aP120_1_9a_3a_18a_72a_6a_12a:Ge-Mg-Na-O-S-Si,120.0,A3BC6D24E2F4_aP120_1_9a_3a_18a_72a_6a_12a:Ge-Mg-Na-O-S-Si +mp-2716074,Na14Mg6Si5Ge2S7O48,-6.4430127264,-2.4078189767,0.1348538981,0.1348538981,GGA,P1,A2B6C14D48E7F5_aP246_1_6a_18a_42a_144a_21a_15a:Ge-Mg-Na-O-S-Si,246.0,A2B6C14D48E7F5_aP246_1_6a_18a_42a_144a_21a_15a:Ge-Mg-Na-O-S-Si +mp-2712534,Na6Mg6SiGe2S11O48,-6.5084402417,-2.2496535866,0.0465399903,0.0465399903,GGA,P1,A2B6C6D48E11F_aP222_1_6a_18a_18a_144a_33a_3a:Ge-Mg-Na-O-S-Si,222.0,A2B6C6D48E11F_aP222_1_6a_18a_18a_144a_33a_3a:Ge-Mg-Na-O-S-Si +mp-2714636,Na2Mg5Ge3(SO4)12,-6.5505773573,-2.0992346296,0.0270271679,0.0270271679,GGA,P1,A3B5C2D48E12_aP210_1_9a_15a_6a_144a_36a:Ge-Mg-Na-O-S,210.0,A3B5C2D48E12_aP210_1_9a_15a_6a_144a_36a:Ge-Mg-Na-O-S +mp-2716389,Na2Mg2Si3Ge6(S3O16)3,-6.7258543154,-2.0897280461,0.0908641965,0.0908641965,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Ge-Mg-Na-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Ge-Mg-Na-O-S-Si +mp-2712797,Na2MgSi2Ge3(SO6)4,-6.7404666345,-2.1784838901,0.1125341128,0.1125341128,GGA,P1,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Ge-Mg-Na-O-S-Si,108.0,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Ge-Mg-Na-O-S-Si +mp-2716087,Na10Mg2Si7Ge6S5O48,-6.7313616537000005,-2.3689960916,0.1551836335,0.1551836335,GGA,P1,A6B2C10D48E5F7_aP234_1_18a_6a_30a_144a_15a_21a:Ge-Mg-Na-O-S-Si,234.0,A6B2C10D48E5F7_aP234_1_18a_6a_30a_144a_15a_21a:Ge-Mg-Na-O-S-Si +mp-2714424,Na4AlGaSi2SO12,-6.6850119005,-2.5701964963,0.1232993278,0.1232993278,GGA,P1,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-Ga-Na-O-S-Si,126.0,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Al-Ga-Na-O-S-Si +mp-2715110,Na10Al4Ga4Si5S7O48,-6.707052085,-2.4270169862,0.1200039919,0.1200039919,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-Ga-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Al-Ga-Na-O-S-Si +mp-2715613,Na14Al4Ga4Si7S5O48,-6.6903690676,-2.523166931,0.1353098443,0.1353098443,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-Ga-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Al-Ga-Na-O-S-Si +mp-2713796,Na6Al4Ga4Si3(S3O16)3,-6.7296721716,-2.3246059526,0.0860419782,0.0860419782,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-Ga-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Al-Ga-Na-O-S-Si +mp-2713544,Na2AlGaSi(SO6)2,-6.7228964111,-2.3819908986,0.098637938,0.098637938,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-Ga-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-Ga-Na-O-S-Si +mp-2714255,Na2Al4Ga4SiS11O48,-6.7391346534,-2.1947480434,0.0452534577,0.0452534577,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-Ga-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Al-Ga-Na-O-S-Si +mp-1181018,NaAl12Ga(S2O33)2,-5.373586516,-0.703053353,1.0267307448,1.0267307448,GGA,F-43m,A12BCD66E4_cF336_216_h_a_b_3eg4h_e:Al-Ga-Na-O-S,84.0,A12BCD66E4_cF336_216_h_a_b_3eg4h_e:Al-Ga-Na-O-S +mp-2716230,Na6Al2Ga2Si3(SO8)3,-6.7029784398,-2.4807702342,0.1293232784,0.1293232784,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-Ga-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Al-Ga-Na-O-S-Si +mp-2714575,Na2Al2Ga2SiS5O24,-6.737702742,-2.264911333,0.0646506093,0.0646506093,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-Ga-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Al-Ga-Na-O-S-Si +mp-2713730,AlGa(SO4)3,-6.7487561698,-2.1285628764,0.0128985464,0.0128985464,GGA,P321,ABC12D3_hP102_150_2cd_3d_12g_ef2g:Al-Ga-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_3cd_5d_20g_ef4g:Al-Ga-O-S, expected Al4Ga5(SO4)15 to be AlGa(SO4)3" +mp-1215158,Al12Ga(S2O33)2,-5.3612301034,-0.6503594962,1.0500110468,1.0500110468,GGA,F-43m,A12BC66D4_cF332_216_h_a_3eg4h_e:Al-Ga-O-S,83.0,A12BC66D4_cF332_216_h_a_3eg4h_e:Al-Ga-O-S +mp-1093922,CsKNa2,-0.6116438875,0.5510690890000001,0.5510690890000001,0.5510690890000001,GGA,Immm,ABC2_oI8_71_a_b_e:Cs-K-Na,4.0,ABC2_oI8_71_a_b_e:Cs-K-Na +mp-720245,CsKNaLi13(SiO4)4,-6.1293027724,-2.5461745674,0.0814283126,0.0814283126,GGA,C2/m,ABC13DE16F4_mC144_12_i_i_ab4i4j_h_8i4j_4i:Cs-K-Li-Na-O-Si,72.0,"Invalid WP multiplicities - ABC13DE16F4_mC144_12_i_i_ab7i12j_h_14i16j_6i:Cs-K-Li-Na-O-Si, expected CsKNaLi32(Si3O23)2 to be CsKNaLi13(SiO4)4" +mp-562394,Cs4Li2(Si2O5)3,-7.1767623002,-2.9489217791,0.0,-0.0152440024,GGA,P2_1/m,A4B2C15D6_mP108_11_8e_2f_6e12f_6f:Cs-Li-O-Si,108.0,"Invalid WP multiplicities - A4B2C15D6_mP108_11_15e_7f_12e46f_19f:Cs-Li-O-Si, expected Cs15Li14(Si19O52)2 to be Cs4Li2(Si2O5)3" +mp-504849,Cs2Li2SiO4,-5.8967799211,-2.4722551042,0.0,-0.022863086,GGA,P-1,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-Li-O-Si,18.0,A2B2C4D_aP18_2_2i_2i_4i_i:Cs-Li-O-Si +mp-17718,CsKNa2Li12(SiO4)4,-6.1868659581,-2.6200265746,0.0,-0.0070408699,GGA,I4/m,ABC12D2E16F4_tI72_87_a_b_hi_d_2hi_h:Cs-K-Li-Na-O-Si,36.0,ABC12D2E16F4_tI72_87_a_b_hi_d_2hi_h:Cs-K-Li-Na-O-Si +mp-1095948,Cs2KNa,-0.52735041,0.5285818361,0.5285818361,0.5285818361,GGA,Immm,A2BC_oI8_71_e_a_b:Cs-K-Na,4.0,A2BC_oI8_71_e_a_b:Cs-K-Na +mp-2216496,MgCr2Fe3Ni(PO4)6,-7.7637474281,-2.2692360927,0.2072511641,0.2072511641,GGA+U,P1,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P,37.0,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P +mp-2216304,MgCr2Fe3Ni(PO4)6,-7.8763205803,-2.3818092449,0.0946780119,0.0946780119,GGA+U,P1,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P,37.0,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P +mp-2216372,MgCr2Fe3Ni(PO4)6,-7.8400504608,-2.3455391254,0.1309481314,0.1309481314,GGA+U,P1,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P,37.0,A2B3CDE24F6_aP37_1_2a_3a_a_a_24a_6a:Cr-Fe-Mg-Ni-O-P +mp-1233795,MgCr2Fe3Ni(PO4)6,-7.7925938814,-2.2980825459,0.1784047109,0.1784047109,GGA+U,R3,A2B3CDE24F6_hR111_146_2a_3a_a_a_8b_2b:Cr-Fe-Mg-Ni-O-P,37.0,"Invalid WP multiplicities - A2B3CDE24F6_hR111_146_2a_3a_a_a_22b_2b:Cr-Fe-Mg-Ni-O-P, expected MgCr2Fe3Ni(PO11)6 to be MgCr2Fe3Ni(PO4)6" +mp-1233940,MgCr2Fe3Ni(PO4)6,-7.8385794797,-2.3440681443,0.1324191125,0.1324191125,GGA+U,R3,A2B3CDE24F6_hR111_146_2a_3a_a_a_8b_2b:Cr-Fe-Mg-Ni-O-P,37.0,"Invalid WP multiplicities - A2B3CDE24F6_hR111_146_2a_3a_a_a_22b_2b:Cr-Fe-Mg-Ni-O-P, expected MgCr2Fe3Ni(PO11)6 to be MgCr2Fe3Ni(PO4)6" +mp-1234418,MgCr2Fe3Ni(PO4)6,-7.8569588854,-2.36244755,0.1140397068,0.1140397068,GGA+U,R3,A2B3CDE24F6_hR111_146_2a_3a_a_a_8b_2b:Cr-Fe-Mg-Ni-O-P,37.0,"Invalid WP multiplicities - A2B3CDE24F6_hR111_146_2a_3a_a_a_22b_2b:Cr-Fe-Mg-Ni-O-P, expected MgCr2Fe3Ni(PO11)6 to be MgCr2Fe3Ni(PO4)6" +mp-1234543,MgCr2Fe3Ni(PO4)6,-7.8308720176,-2.3363606822,0.1401265746,0.1401265746,GGA+U,R3,A2B3CDE24F6_hR111_146_2a_3a_a_a_8b_2b:Cr-Fe-Mg-Ni-O-P,37.0,"Invalid WP multiplicities - A2B3CDE24F6_hR111_146_2a_3a_a_a_22b_2b:Cr-Fe-Mg-Ni-O-P, expected MgCr2Fe3Ni(PO11)6 to be MgCr2Fe3Ni(PO4)6" +mp-2216237,MgCr2Fe3Ni(PO4)6,-7.8335064757,-2.3389951403,0.1374921165,0.1374921165,GGA+U,R3,A2B3CDE24F6_hR111_146_2a_3a_a_a_8b_2b:Cr-Fe-Mg-Ni-O-P,37.0,"Invalid WP multiplicities - A2B3CDE24F6_hR111_146_2a_3a_a_a_22b_2b:Cr-Fe-Mg-Ni-O-P, expected MgCr2Fe3Ni(PO11)6 to be MgCr2Fe3Ni(PO4)6" +mp-1333330,MgCrNiP2O9,-7.6185964557,-2.4485773404,0.0476993846,0.0476993846,GGA+U,Pnma,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Cr-Mg-Ni-O-P,56.0,ABCD9E2_oP56_62_c_c_a_5c2d_2c:Cr-Mg-Ni-O-P +mp-2715862,Na6La4Ti4Si5S7O48,-7.5254959403,-2.758145324,0.1086473935,0.1086473935,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Ti,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Ti +mp-2712642,NaLaTiSi(SO6)2,-7.5058711105,-2.6607318486,0.1638388615,0.1638388615,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:La-Na-O-S-Si-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:La-Na-O-S-Si-Ti, expected NaLaTiSiS3O20 to be NaLaTiSi(SO6)2" +mp-2715966,Na10La4Ti4Si7S5O48,-7.4124447346,-2.7887039256,0.1560371133,0.1560371133,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Ti,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Ti +mp-2716273,Na8La2Ti2Si5SO24,-7.3466109875,-2.9126402808,0.0900804197,0.0900804197,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Ti,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Ti +mp-2714902,Na14La4Ti4Si9(SO16)3,-7.3869623798,-2.8928206651,0.0963823892,0.0963823892,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Ti,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Ti +mp-2714891,Na3LaTi3Si3(SO8)3,-7.6343910743,-2.769637242,0.1207942409,0.1207942409,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Ti,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Ti +mp-2714579,Na3LaTiSi2SO12,-7.3887275184,-2.8314062452,0.1396124199,0.1396124199,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:La-Na-O-S-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:La-Na-O-S-Si-Ti, expected Na13LaTiSi7SO72 to be Na3LaTiSi2SO12" +mp-2712851,La2Ti2SiS5O24,-7.621198043,-2.6067540819,0.0573230792,0.0573230792,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Ti,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Ti +mp-2713592,Na4La2Ti2Si3(SO8)3,-7.4362335333,-2.7425774234,0.1642150906,0.1642150906,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Ti,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Ti +mp-2713143,Na5La3TiSi3(SO8)3,-7.324460413,-2.7931277833,0.1291867346,0.1291867346,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Ti +mp-2716469,Na2La4Ti4Si3(S3O16)3,-7.5695920542,-2.6422190813,0.1043976193,0.1043976193,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Ti,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Ti +mp-2716400,Na10Zr4Ta4Si11SO48,-8.1817249266,-3.1034791278,0.0307619879,0.0307619879,GGA,P1,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Zr,234.0,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Zr +mp-2714019,NaZr3TaSi3(SO8)3,-8.1923228586,-2.8714874993,0.0321519836,0.0321519836,GGA,P1,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Zr,105.0,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Zr +mp-2712856,Na6Zr4Ta4Si9(SO16)3,-8.265339124,-3.0189156806,0.0568079565,0.0568079565,GGA,P1,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Zr,222.0,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Zr +mp-2714989,Na4Zr2Ta2Si5SO24,-8.220044284,-3.0599225266,0.0532988945,0.0532988945,GGA,P1,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Zr,114.0,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Zr +mp-2715688,Na2Zr4Ta4Si7S5O48,-8.342253647,-2.9084322568000003,0.0351754038,0.0351754038,GGA,P1,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Zr,210.0,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Zr +mp-2713734,Zr2Ta2Si3(SO8)3,-8.3708553268,-2.8350674067,0.034056556,0.034056556,GGA,P1,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Ta-Zr,102.0,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Ta-Zr +mp-2715547,NaZrTaSi2SO12,-8.2991432737,-2.9616236062,0.0498769868,0.0498769868,GGA,Cc,AB12CD2EF_mC72_9_a_12a_a_2a_a_a:Na-O-S-Si-Ta-Zr,108.0,"Invalid WP multiplicities - AB12CD2EF_mC72_9_a_60a_a_7a_a_a:Na-O-S-Si-Ta-Zr, expected NaZrTaSi7SO60 to be NaZrTaSi2SO12" +mp-2713590,Na3TiSi2SnPO12,-7.3779890378,-2.8031468951000003,0.0409999756,0.0409999756,GGA,P1,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Sn-Ti,120.0,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Sn-Ti +mp-2713300,Na3TiSi2SnPO12,-7.3827910344,-2.8079488917,0.0361979791,0.0361979791,GGA,P1,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Sn-Ti,80.0,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Sn-Ti +mp-2712985,Na3Ti2SiSn2P5O24,-7.6166637712,-2.779094494,0.0208426672,0.0208426672,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Ti,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Ti +mp-2714345,Na7Ti2Si5Sn2PO24,-7.3043856965,-2.8085752935,0.031010957,0.031010957,GGA,P1,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Ti,123.0,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Ti +mp-2714240,Na5Ti2Si3Sn2(PO8)3,-7.4489159672,-2.7909891751,0.0476072015,0.0476072015,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Ti,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Ti +mp-2713811,NaTiSn(PO4)3,-7.7060943546,-2.7712187313000003,0.0057095348,0.0057095348,GGA,P3,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Sn-Ti,108.0,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Sn-Ti +mp-1220927,NaTiSn(PO4)3,-7.7068826428,-2.7720070194,0.0049212467,0.0049212467,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-P-Sn-Ti,36.0,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-P-Sn-Ti +mp-2712704,Na2TiSiSn(PO6)2,-7.5298482419,-2.7844639242,0.0367539683,0.0367539683,GGA,P1,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Sn-Ti,114.0,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Sn-Ti +mp-1195634,CsNa2Mn3P4ClO14,-7.5275648312,-2.576289332,0.0,-0.0078789941,GGA+U,C2/c,ABC3D2E14F4_mC100_15_e_a_ef_f_7f_2f:Cl-Cs-Mn-Na-O-P,50.0,ABC3D2E14F4_mC100_15_e_a_ef_f_7f_2f:Cl-Cs-Mn-Na-O-P +mp-2232576,MgV2Cd2(CuO4)2,-6.274073758,-1.6483541087,0.2894942916,0.2894942916,GGA+U,C2/m,A2B2CD8E2_mC30_12_ac_i_b_2ij_i:Cd-Cu-Mg-O-V,15.0,"Invalid WP multiplicities - A2B2CD8E2_mC30_12_ac_i_b_4ij_i:Cd-Cu-Mg-O-V, expected MgV2Cd2(CuO6)2 to be MgV2Cd2(CuO4)2" +mp-1096324,Mg2CdPb,-0.8633294725,1.09569476,1.16852191,1.16852191,GGA,Immm,AB2C_oI8_71_a_e_b:Cd-Mg-Pb,4.0,AB2C_oI8_71_a_e_b:Cd-Mg-Pb +mp-1222758,Mg3V6Cd2Cu3PbO24,-7.1806862669,-2.1581003121,0.0124280394,0.0124280394,GGA+U,P1,A2B3C3D24EF6_aP39_1_2a_3a_3a_24a_a_6a:Cd-Cu-Mg-O-Pb-V,39.0,A2B3C3D24EF6_aP39_1_2a_3a_3a_24a_a_6a:Cd-Cu-Mg-O-Pb-V +mp-2714729,Na6ZnSn7(PO4)12,-7.100514894,-2.5104799402,0.0193206404,0.0193206404,GGA,P1,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-P-Sn-Zn,222.0,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-P-Sn-Zn +mp-2715400,Na6ZnSi2Sn3(PO6)4,-6.8379565758,-2.5267569234,0.0564735409,0.0564735409,GGA,P1,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-Si-Sn-Zn,120.0,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-Si-Sn-Zn +mp-2715420,Na6ZnSi2Sn3(PO6)4,-6.8325607343,-2.5213610819,0.0618693824,0.0618693824,GGA,P1,A6B24C4D2E3F_aP40_1_6a_24a_4a_2a_3a_a:Na-O-P-Si-Sn-Zn,80.0,"Invalid WP multiplicities - A6B24C4D2E3F_aP40_1_12a_48a_8a_4a_6a_a:Na-O-P-Si-Sn-Zn, expected Na12ZnSi4Sn6(PO6)8 to be Na6ZnSi2Sn3(PO6)4" +mp-2715229,Na3ZnSn(PO4)3,-6.72178578,-2.47993261,0.0453891018,0.0453891018,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-P-Sn-Zn,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-P-Sn-Zn, expected Na3ZnSn(PO5)6 to be Na3ZnSn(PO4)3" +mp-2715492,Na3ZnSn(PO4)3,-6.7225056539,-2.4806524839,0.0446692279,0.0446692279,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-P-Sn-Zn,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-P-Sn-Zn, expected Na14Zn3Sn3(PO4)18 to be Na3ZnSn(PO4)3" +mp-2715063,Na8Zn3Sn(PO4)6,-6.5080104047,-2.4706449489,0.0520463161,0.0520463161,GGA,P3,A8B24C6DE3_hP126_143_2a2b2c6d_24d_6d_2ab_2a3b4c:Na-O-P-Sn-Zn,126.0,A8B24C6DE3_hP126_143_2a2b2c6d_24d_6d_2ab_2a3b4c:Na-O-P-Sn-Zn +mp-2713256,Na4ZnSn3(PO4)6,-6.9664053582,-2.4985394514,0.0296895962,0.0296895962,GGA,P1,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Sn-Zn,114.0,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Sn-Zn +mp-2715660,Na7Zn2SiSn2P5O24,-6.6575378966,-2.486594784,0.0656277978,0.0656277978,GGA,P1,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Zn,123.0,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Zn +mp-2715892,Na5ZnSiSn3P5O24,-6.8992769286,-2.5117526908,0.0446822116,0.0446822116,GGA,P1,A5B24C5DE3F_aP117_1_15a_72a_15a_3a_9a_3a:Na-O-P-Si-Sn-Zn,117.0,A5B24C5DE3F_aP117_1_15a_72a_15a_3a_9a_3a:Na-O-P-Si-Sn-Zn +mp-2714146,Na14Zn5Sn3(PO4)12,-6.6135741073,-2.476458547,0.0475158627,0.0475158627,GGA,P1,A14B48C12D3E5_aP246_1_42a_144a_36a_9a_15a:Na-O-P-Sn-Zn,246.0,A14B48C12D3E5_aP246_1_42a_144a_36a_9a_15a:Na-O-P-Sn-Zn +mp-2714367,Na4ZnSiSn(PO6)2,-6.5967876331,-2.4933779085,0.0689287092,0.0689287092,GGA,Cc,A4B12C2DEF_mC252_9_12a_36a_6a_3a_3a_3a:Na-O-P-Si-Sn-Zn,126.0,"Invalid WP multiplicities - A4B12C2DEF_mC252_9_18a_60a_9a_3a_3a_3a:Na-O-P-Si-Sn-Zn, expected Na6ZnSiSnP3O20 to be Na4ZnSiSn(PO6)2" +mp-2715044,Na7ZnSi3Sn3(PO8)3,-6.7734366618,-2.5348384445,0.0579657181,0.0579657181,GGA,P1,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Si-Sn-Zn,123.0,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Si-Sn-Zn +mp-2716155,Na8ZnSi4Sn3(PO12)2,-6.7151566741,-2.5457026807,0.0479971442,0.0479971442,GGA,P1,A8B24C2D4E3F_aP126_1_24a_72a_6a_12a_9a_3a:Na-O-P-Si-Sn-Zn,126.0,A8B24C2D4E3F_aP126_1_24a_72a_6a_12a_9a_3a:Na-O-P-Si-Sn-Zn +mp-2716279,Na10Zn3Sn5(PO4)12,-6.83777743,-2.4858154908,0.0409226154,0.0409226154,GGA,P1,A10B48C12D5E3_aP234_1_30a_144a_36a_15a_9a:Na-O-P-Sn-Zn,234.0,A10B48C12D5E3_aP234_1_30a_144a_36a_15a_9a:Na-O-P-Sn-Zn +mp-1227826,Ca4Al5CrSi6(HO13)2,-7.8537169355,-3.2092943695,0.0216248866,0.0216248866,GGA+U,P-1,A5B4CD2E26F6_aP44_2_abdi_2i_f_i_13i_3i:Al-Ca-Cr-H-O-Si,44.0,"Invalid WP multiplicities - A5B4CD2E26F6_aP44_2_abdi_2i_f_i_19i_3i:Al-Ca-Cr-H-O-Si, expected Ca4Al5CrSi6(HO19)2 to be Ca4Al5CrSi6(HO13)2" +mp-2715789,Na3MgTa5Si3(PO6)6,-8.4629005769,-3.0611726729,0.0049664795,0.0049664795,GGA,P3c1,AB3C36D6E3F5_hP108_158_a_abc_12d_2d_d_a2b2c:Mg-Na-O-P-Si-Ta,108.0,AB3C36D6E3F5_hP108_158_a_abc_12d_2d_d_a2b2c:Mg-Na-O-P-Si-Ta +mp-2716491,Na15Mg2Ta10Si15(PO24)3,-8.1458105332,-3.0569431743,0.0287698727,0.0287698727,GGA,P1,A2B15C72D3E15F10_aP117_1_2a_15a_72a_3a_15a_10a:Mg-Na-O-P-Si-Ta,117.0,A2B15C72D3E15F10_aP117_1_2a_15a_72a_3a_15a_10a:Mg-Na-O-P-Si-Ta +mp-2713146,Na15Mg7Ta5(PO4)18,-7.5100331034,-2.8610607937,0.0242801936,0.0242801936,GGA,P1,A7B15C72D18E5_aP117_1_7a_15a_72a_18a_5a:Mg-Na-O-P-Ta,117.0,A7B15C72D18E5_aP117_1_7a_15a_72a_18a_5a:Mg-Na-O-P-Ta +mp-2713270,Na2MgTa(PO4)3,-7.7117832989,-2.8852948609,0.0237303243,0.0237303243,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Mg-Na-O-P-Ta,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Mg-Na-O-P-Ta, expected Na2MgTa(PO4)18 to be Na2MgTa(PO4)3" +mp-2714310,Na15Mg4Ta8Si9(PO8)9,-7.8784895258,-2.9655801867,0.0447262246,0.0447262246,GGA,P1,A4B15C72D9E9F8_aP117_1_4a_15a_72a_9a_9a_8a:Mg-Na-O-P-Si-Ta,117.0,A4B15C72D9E9F8_aP117_1_4a_15a_72a_9a_9a_8a:Mg-Na-O-P-Si-Ta +mp-2714588,Na12Mg4Ta2Si3(PO6)6,-7.1737704179,-2.8432380097000003,0.0313338333,0.0313338333,GGA,P3c1,A4B12C36D6E3F2_hP126_158_ab2c_abc3d_12d_2d_d_ab:Mg-Na-O-P-Si-Ta,126.0,A4B12C36D6E3F2_hP126_158_ab2c_abc3d_12d_2d_d_ab:Mg-Na-O-P-Si-Ta +mp-2715041,Na12Mg5Ta(PO4)9,-6.9672681179,-2.8001252993,0.0114822765,0.0114822765,GGA,P3c1,A5B12C36D9E_hP126_158_a2b2c_abc3d_12d_3d_a:Mg-Na-O-P-Ta,126.0,A5B12C36D9E_hP126_158_a2b2c_abc3d_12d_3d_a:Mg-Na-O-P-Ta +mp-2715796,Na3Mg2Ta10Si3(P5O24)3,-8.5549846846,-3.0370514352,0.0096407238,0.0096407238,GGA,P1,A2B3C72D15E3F10_aP105_1_2a_3a_72a_15a_3a_10a:Mg-Na-O-P-Si-Ta,105.0,A2B3C72D15E3F10_aP105_1_2a_3a_72a_15a_3a_10a:Mg-Na-O-P-Si-Ta +mp-2715786,Na21Mg8Ta4Si3(P5O24)3,-7.2467486174,-2.8431432436,0.0315938693,0.0315938693,GGA,P1,A8B21C72D15E3F4_aP123_1_8a_21a_72a_15a_3a_4a:Mg-Na-O-P-Si-Ta,123.0,A8B21C72D15E3F4_aP123_1_8a_21a_72a_15a_3a_4a:Mg-Na-O-P-Si-Ta +mp-2715881,Na5Mg2Ta2SiP5O24,-7.6183934131,-2.8814420936,0.0482948643,0.0482948643,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-Si-Ta,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-Si-Ta +mp-2713881,Na3Mg2Ta4(PO4)9,-8.1619619305,-2.9508552144,0.0094857328,0.0094857328,GGA,P3c1,A2B3C36D9E4_hP108_158_ab_abc_12d_3d_ab2c:Mg-Na-O-P-Ta,108.0,A2B3C36D9E4_hP108_158_ab_abc_12d_3d_ab2c:Mg-Na-O-P-Ta +mp-2713540,Na9Mg2Ta4Si6(PO12)3,-7.7823559605,-2.9589058344,0.0529077913,0.0529077913,GGA,P1,A2B9C36D3E6F4_aP120_1_4a_18a_72a_6a_12a_8a:Mg-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - A2B9C36D3E6F4_aP120_1_8a_36a_144a_11a_23a_16a:Mg-Na-O-P-Si-Ta, expected Na36Mg8Ta16Si23P11O144 to be Na9Mg2Ta4Si6(PO12)3" +mp-2713225,Na9Mg2Ta4Si6(PO12)3,-7.7995824369,-2.9761323108,0.0356813149,0.0356813149,GGA,P1,A2B9C36D3E6F4_aP360_1_12a_54a_216a_18a_36a_24a:Mg-Na-O-P-Si-Ta,360.0,A2B9C36D3E6F4_aP360_1_12a_54a_216a_18a_36a_24a:Mg-Na-O-P-Si-Ta +mp-2713747,NaMgTa3(PO4)6,-8.3993622568,-2.9794627612,0.0042289651,0.0042289651,GGA,P3,ABC24D6E3_hP105_143_2ab_2ab_24d_6d_2a3b4c:Mg-Na-O-P-Ta,105.0,ABC24D6E3_hP105_143_2ab_2ab_24d_6d_2a3b4c:Mg-Na-O-P-Ta +mp-2713101,Na9Mg2Ta10Si9(PO8)9,-8.3519866091,-3.0601826804,0.0172255164,0.0172255164,GGA,P1,A2B9C72D9E9F10_aP111_1_2a_9a_72a_9a_9a_10a:Mg-Na-O-P-Si-Ta,111.0,A2B9C72D9E9F10_aP111_1_2a_9a_72a_9a_9a_10a:Mg-Na-O-P-Si-Ta +mp-2712562,Na6Mg2Ta4Si3(PO6)6,-7.9705390049,-2.9634620731,0.0381674617,0.0381674617,GGA,Cc,A2B6C36D6E3F4_mC228_9_2a_6a_36a_6a_3a_4a:Mg-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - A2B6C36D6E3F4_mC228_9_2a_8a_72a_11a_4a_4a:Mg-Na-O-P-Si-Ta, expected Na8Mg2Ta4Si4P11O72 to be Na6Mg2Ta4Si3(PO6)6" +mp-2714309,Na7Mg3Ta(PO4)6,-7.1425966333,-2.8226786103,0.0132369821,0.0132369821,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Mg-Na-O-P-Ta,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Mg-Na-O-P-Ta +mp-2713110,Na9Mg4Ta8Si3(P5O24)3,-8.0651073985,-2.9587727338,0.0298972212,0.0298972212,GGA,P1,A4B9C72D15E3F8_aP111_1_4a_9a_72a_15a_3a_8a:Mg-Na-O-P-Si-Ta,111.0,A4B9C72D15E3F8_aP111_1_4a_9a_72a_15a_3a_8a:Mg-Na-O-P-Si-Ta +mp-2715221,Na6MgTa5Si6(PO12)3,-8.2426386653,-3.0549732395,0.0284692405,0.0284692405,GGA,Cc,AB6C36D3E6F5_mC228_9_a_6a_36a_3a_6a_5a:Mg-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB6C36D3E6F5_mC228_9_a_8a_72a_4a_11a_5a:Mg-Na-O-P-Si-Ta, expected Na8MgTa5Si11(PO18)4 to be Na6MgTa5Si6(PO12)3" +mp-2714647,Na9Mg5Ta7(PO4)18,-7.9274535007,-2.913853468,0.020136142,0.020136142,GGA,P1,A5B9C72D18E7_aP111_1_5a_9a_72a_18a_7a:Mg-Na-O-P-Ta,111.0,A5B9C72D18E7_aP111_1_5a_9a_72a_18a_7a:Mg-Na-O-P-Ta +mp-2715694,Na4MgTaSi2PO12,-7.3669556384,-2.8730336405,0.0611955806,0.0611955806,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Mg-Na-O-P-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Mg-Na-O-P-Si-Ta, expected Na19MgTaSi12PO72 to be Na4MgTaSi2PO12" +mp-2714368,Na21Mg4Ta8Si15(PO24)3,-7.7023851338,-2.9640303567,0.0384781994,0.0384781994,GGA,P1,A4B21C72D3E15F8_aP123_1_4a_21a_72a_3a_15a_8a:Mg-Na-O-P-Si-Ta,123.0,A4B21C72D3E15F8_aP123_1_4a_21a_72a_3a_15a_8a:Mg-Na-O-P-Si-Ta +mp-2714700,Na7Mg2Ta2Si3(PO8)3,-7.4547562378,-2.8837761623,0.0577428917,0.0577428917,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Mg-Na-O-P-Si-Ta,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Mg-Na-O-P-Si-Ta +mp-2715338,Na9Mg4Ta2(PO4)9,-7.3276071617,-2.847275174,0.0141638359,0.0141638359,GGA,P1,A4B9C36D9E2_aP360_1_24a_54a_216a_54a_12a:Mg-Na-O-P-Ta,360.0,A4B9C36D9E2_aP360_1_24a_54a_216a_54a_12a:Mg-Na-O-P-Ta +mp-2715356,Na9Mg4Ta2(PO4)9,-7.3214067009,-2.8410747131000003,0.0203642967,0.0203642967,GGA,P1,A4B9C36D9E2_aP120_1_8a_18a_72a_18a_4a:Mg-Na-O-P-Ta,240.0,A4B9C36D9E2_aP120_1_16a_36a_144a_36a_8a:Mg-Na-O-P-Ta +mp-2715476,Na3MgTaSi(PO6)2,-7.5325682833,-2.8806772264,0.0601499194,0.0601499194,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Mg-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Mg-Na-O-P-Si-Ta, expected Na4MgTaSiP3O20 to be Na3MgTaSi(PO6)2" +mp-2715308,Na3MgTaSi(PO6)2,-7.5229529146,-2.8710618577,0.0697652881,0.0697652881,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Mg-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Mg-Na-O-P-Si-Ta, expected Na3MgTaSi(PO15)2 to be Na3MgTaSi(PO6)2" +mp-1389826,BaYTiCuO5,-8.0035095722,-2.9908886504,0.1604007672,0.1604007672,GGA,P4mm,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Ti-Y,9.0,ABC5DE_tP9_99_b_a_a2c_a_b:Ba-Cu-O-Ti-Y +mp-1216142,Y2TiCuO6,-8.558035719,-3.0972584009,0.1797309473,0.1797309473,GGA,P-6m2,AB6CD2_hP10_187_c_abhi_f_g:Cu-O-Ti-Y,10.0,"Invalid WP multiplicities - AB6CD2_hP10_187_c_ab2h2i_f_g:Cu-O-Ti-Y, expected Y2TiCuO10 to be Y2TiCuO6" +mp-2240418,BaYMgTiCuO5,-7.277223243,-2.6058364084,0.4787791912,0.4787791912,GGA,Pm,ABCD5EF_mP10_6_b_a_a_3a2b_a_b:Ba-Cu-Mg-O-Ti-Y,10.0,ABCD5EF_mP10_6_b_a_a_3a2b_a_b:Ba-Cu-Mg-O-Ti-Y +mp-2239848,BaYMgTiCuO5,-7.062785888,-2.3913990534,0.6932165462000001,0.6932165462000001,GGA,P4mm,ABCD5EF_tP10_99_a_b_a_b2c_b_a:Ba-Cu-Mg-O-Ti-Y,10.0,ABCD5EF_tP10_99_a_b_a_b2c_b_a:Ba-Cu-Mg-O-Ti-Y +mp-1216233,Y2Ti12(CuO4)9,-8.1858031766,-2.7171167349000003,0.0531686409,0.0531686409,GGA,P-3,A9B36C12D2_hP59_147_fg_6g_adeg_d:Cu-O-Ti-Y,59.0,"Invalid WP multiplicities - A9B36C12D2_hP59_147_3f4g_32g_a2d3e4g_d:Cu-O-Ti-Y, expected Y2Ti38(Cu11O64)3 to be Y2Ti12(CuO4)9" +mp-1045593,YTi4(CuO4)3,-8.277083907,-2.7917677207,0.0561692763,0.0561692763,GGA,Im-3,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ti-Y,20.0,A3B12C4D_cI40_204_b_g_c_a:Cu-O-Ti-Y +mp-1194719,CsNa2Fe3P4ClO14,-7.3083175248,-2.4400813155,0.0,-0.0085351712,GGA+U,C2/c,ABC3D2E14F4_mC100_15_e_a_ef_f_7f_2f:Cl-Cs-Fe-Na-O-P,50.0,ABC3D2E14F4_mC100_15_e_a_ef_f_7f_2f:Cl-Cs-Fe-Na-O-P +mp-1226173,CsNa5(FeO3)2,-5.5464310423,-1.6801307904,0.0005593158,0.0005593158,GGA+U,Fdd2,AB2C5D6_oF224_43_b_2b_4a3b_2a5b:Cs-Fe-Na-O,56.0,"Invalid WP multiplicities - AB2C5D6_oF224_43_b_7b_5a8b_3a15b:Cs-Fe-Na-O, expected Cs2Na21Fe14O33 to be CsNa5(FeO3)2" +mp-2716112,Na10Ta2Al6Si7S5O48,-7.2810532096,-2.7231711986,0.1136072297,0.1136072297,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Al-Na-O-S-Si-Ta,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Al-Na-O-S-Si-Ta +mp-2713545,Na4TaAl3Si3(SO8)3,-7.3043330203,-2.6782688346,0.0997426482,0.0997426482,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Al-Na-O-S-Si-Ta,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Al-Na-O-S-Si-Ta +mp-2715696,Na2Ta3AlSi4(SO12)2,-8.190042828,-2.8939689327,0.0490697637,0.0490697637,GGA,P1,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:Al-Na-O-S-Si-Ta,108.0,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:Al-Na-O-S-Si-Ta +mp-2715652,Na8TaAl3Si5SO24,-7.2183226761,-2.8455065677,0.0883930998,0.0883930998,GGA,P1,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Al-Na-O-S-Si-Ta,126.0,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Al-Na-O-S-Si-Ta +mp-2714313,Na10Ta4Al4Si9(SO16)3,-7.6572698629,-2.858334776,0.1039186169,0.1039186169,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Al-Na-O-S-Si-Ta,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Al-Na-O-S-Si-Ta +mp-2713028,Na6Ta4Al4Si7S5O48,-7.7302901275,-2.7782752723,0.082533703,0.082533703,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Al-Na-O-S-Si-Ta,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Al-Na-O-S-Si-Ta +mp-2714792,Na6Ta3Al5Si6(SO8)6,-7.5214189446,-2.6964455754000003,0.0932498767,0.0932498767,GGA,P1,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:Al-Na-O-S-Si-Ta,222.0,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:Al-Na-O-S-Si-Ta +mp-2714369,Na6TaAl3Si4(SO12)2,-7.2518326931,-2.758723748,0.1225708426,0.1225708426,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Al-Na-O-S-Si-Ta,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Al-Na-O-S-Si-Ta +mp-2713135,TaAlSi(SO6)2,-7.7979537002,-2.5825515967,0.0598667827,0.0598667827,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:Al-O-S-Si-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:Al-O-S-Si-Ta, expected TaAlSiS3O20 to be TaAlSi(SO6)2" +mp-2712553,Na2TaAlSi2SO12,-7.6803750108,-2.8069142472,0.1144771163,0.1144771163,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:Al-Na-O-S-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:Al-Na-O-S-Si-Ta, expected Na2TaAlSi12SO72 to be Na2TaAlSi2SO12" +mp-2713778,Na6Ta2Al2Si5SO24,-7.6363678893,-2.9082321951,0.0892457874,0.0892457874,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Al-Na-O-S-Si-Ta,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Al-Na-O-S-Si-Ta +mp-2713445,Na10TaAl7Si6(SO8)6,-7.0939610386,-2.6566055656,0.110321126,0.110321126,GGA,P1,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:Al-Na-O-S-Si-Ta,234.0,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:Al-Na-O-S-Si-Ta +mp-2716362,Na10Ta6Al2Si11SO48,-8.063435610300001,-3.0234474473,0.0555195682,0.0555195682,GGA,P1,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:Al-Na-O-S-Si-Ta,234.0,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:Al-Na-O-S-Si-Ta +mp-2712979,Na6Ta6Al2Si9(SO16)3,-8.140750889,-2.9346530618,0.0683829598,0.0683829598,GGA,P1,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:Al-Na-O-S-Si-Ta,222.0,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:Al-Na-O-S-Si-Ta +mp-2716133,Na2Ta4Al4Si5S7O48,-7.776859869,-2.654270415,0.0720485981,0.0720485981,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Al-Na-O-S-Si-Ta,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Al-Na-O-S-Si-Ta +mp-2713074,TaAl3SiS5O24,-7.3787053323,-2.4398052865,0.0494151207,0.0494151207,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Al-O-S-Si-Ta,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Al-O-S-Si-Ta +mp-2716282,Na2Ta2Al6Si3(S3O16)3,-7.3690849382,-2.5150974831,0.0589074682,0.0589074682,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Al-Na-O-S-Si-Ta,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Al-Na-O-S-Si-Ta +mp-2715813,Na2Ta6Al2Si7S5O48,-8.2207851972,-2.8295937442,0.0455461562,0.0455461562,GGA,P1,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:Al-Na-O-S-Si-Ta,210.0,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:Al-Na-O-S-Si-Ta +mp-2713946,Na2Ta5Al3Si6(SO8)6,-7.9984713697,-2.7415809162,0.0591485406,0.0591485406,GGA,P1,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:Al-Na-O-S-Si-Ta,210.0,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:Al-Na-O-S-Si-Ta +mp-2716095,Na6Ta2Al6Si5S7O48,-7.3164499375,-2.6185180543,0.0975498915,0.0975498915,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Al-Na-O-S-Si-Ta,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Al-Na-O-S-Si-Ta +mp-2714810,Na14Ta2Al6Si9(SO16)3,-7.231704707,-2.8002091661,0.1168746593,0.1168746593,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Al-Na-O-S-Si-Ta,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Al-Na-O-S-Si-Ta +mp-2715057,Na4Ta3AlSi5SO24,-8.1064140029,-2.9855566613,0.059430457,0.059430457,GGA,P1,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:Al-Na-O-S-Si-Ta,114.0,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:Al-Na-O-S-Si-Ta +mp-2714338,Na14Ta4Al4Si11SO48,-7.6100652694,-2.9492753391,0.0634677951,0.0634677951,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Al-Na-O-S-Si-Ta,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Al-Na-O-S-Si-Ta +mp-2712733,Na2TaAl3Si2(SO6)4,-7.3516423357,-2.5778501051,0.0728329961,0.0728329961,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Al-Na-O-S-Si-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Al-Na-O-S-Si-Ta +mp-2713779,Ta3AlSi3(SO8)3,-8.2481688568,-2.7562646956,0.0393516561,0.0393516561,GGA,P1,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:Al-O-S-Si-Ta,102.0,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:Al-O-S-Si-Ta +mp-2713976,Na2Ta2Al2Si3(SO8)3,-7.7461370703,-2.7112040073,0.0856568915,0.0856568915,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Al-Na-O-S-Si-Ta,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Al-Na-O-S-Si-Ta +mp-2232498,Ba2YMgFe3O8,-7.4744186933,-2.3485337358,0.2187782178,0.2187782178,GGA+U,Pmm2,A2B3CD8E_oP15_25_2a_3d_a_3b3c2d_a:Ba-Fe-Mg-O-Y,15.0,A2B3CD8E_oP15_25_2a_3d_a_3b3c2d_a:Ba-Fe-Mg-O-Y +mp-2232614,Ba2YMgFe3O8,-7.4296036673,-2.3037187098,0.2635932438,0.2635932438,GGA+U,Pmm2,A2B3CD8E_oP15_25_2b_3c_a_3a2c3d_b:Ba-Fe-Mg-O-Y,15.0,A2B3CD8E_oP15_25_2b_3c_a_3a2c3d_b:Ba-Fe-Mg-O-Y +mp-2232505,Ba2YMgFe3O8,-7.476877808,-2.3509928504,0.2163191031,0.2163191031,GGA+U,P4/mmm,A2B3CD8E_tP15_123_g_ch_a_fhi_b:Ba-Fe-Mg-O-Y,15.0,"Invalid WP multiplicities - A2B3CD8E_tP15_123_g_c2h_a_2f2h2i_b:Ba-Fe-Mg-O-Y, expected Ba2YMgFe5O16 to be Ba2YMgFe3O8" +mp-2241129,Ba2YMgFe3O8,-7.3057347207,-2.1798497631,0.3874621904,0.3874621904,GGA+U,P4/mmm,A2B3CD8E_tP15_123_h_bg_a_egi_c:Ba-Fe-Mg-O-Y,15.0,"Invalid WP multiplicities - A2B3CD8E_tP15_123_h_b2g_a_2e2g2i_c:Ba-Fe-Mg-O-Y, expected Ba2YMgFe5O16 to be Ba2YMgFe3O8" +mp-1233075,Ba2Y2Mg(Fe2O5)2,-7.7746157868,-2.4210292548,0.2063940858,0.2063940858,GGA+U,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Mg-O-Y,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Ba-Fe-Mg-O-Y +mp-1234363,Ba2Y2Mg(Fe2O5)2,-7.7379062521,-2.38431972,0.2431036206,0.2431036206,GGA+U,Pm,A2B4CD10E2_mP19_6_2a_4b_b_4a6b_2a:Ba-Fe-Mg-O-Y,19.0,A2B4CD10E2_mP19_6_2a_4b_b_4a6b_2a:Ba-Fe-Mg-O-Y +mp-1234544,Ba2Y2Mg(Fe2O5)2,-7.7768679579,-2.4232814258,0.2041419148,0.2041419148,GGA+U,Pm,A2B4CD10E2_mP19_6_2a_4b_a_4a6b_2a:Ba-Fe-Mg-O-Y,19.0,A2B4CD10E2_mP19_6_2a_4b_a_4a6b_2a:Ba-Fe-Mg-O-Y +mp-1233074,Ba2Y2Mg(Fe2O5)2,-7.8175746979,-2.4639881658,0.1634351748,0.1634351748,GGA+U,Cm,A2B4CD10E2_mC38_8_2a_4a_a_10a_2a:Ba-Fe-Mg-O-Y,19.0,A2B4CD10E2_mC38_8_2a_4a_a_10a_2a:Ba-Fe-Mg-O-Y +mp-1233214,Ba2Y2Mg(Fe2O5)2,-7.6876460332,-2.3340595011,0.2933638395,0.2933638395,GGA+U,Pmm2,A2B4CD10E2_oP19_25_e_2b2d_a_2ab2cd2f_e:Ba-Fe-Mg-O-Y,19.0,"Invalid WP multiplicities - A2B4CD10E2_oP19_25_e_2b2d_a_2ab2cd4f_e:Ba-Fe-Mg-O-Y, expected Ba2Y2Mg(Fe2O7)2 to be Ba2Y2Mg(Fe2O5)2" +mp-2222927,BaYMgFeCuO5,-7.016738756,-2.287899002,0.3648208039,0.3648208039,GGA+U,Cm,ABCDE5F_mC20_8_a_a_a_a_a2b_a:Ba-Cu-Fe-Mg-O-Y,10.0,ABCDE5F_mC20_8_a_a_a_a_a2b_a:Ba-Cu-Fe-Mg-O-Y +mp-2240651,BaYMgFeCuO5,-6.895455982,-2.166616228,0.4861035779,0.4861035779,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Cu-Fe-Mg-O-Y,10.0,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Cu-Fe-Mg-O-Y +mp-2222919,BaYMgFeCuO5,-6.860102282,-2.131262528,0.5214572779000001,0.5214572779000001,GGA+U,P4mm,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Cu-Fe-Mg-O-Y,10.0,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Cu-Fe-Mg-O-Y +mp-2713313,Na2LaHf(PO4)3,-8.0056662206,-3.1036441797,0.0805972241,0.0805972241,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Hf-La-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Hf-La-Na-O-P, expected Na2LaHf(PO4)18 to be Na2LaHf(PO4)3" +mp-2715756,Na4LaHfSi2PO12,-7.6198110319,-3.0575491076,0.0769464173,0.0769464173,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Hf-La-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Hf-La-Na-O-P-Si, expected Na19LaHfSi12PO72 to be Na4LaHfSi2PO12" +mp-2713470,Na5La3Hf(PO4)6,-7.7789135282,-3.0974217097,0.0554104485,0.0554104485,GGA,P1,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Hf-La-Na-O-P,117.0,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Hf-La-Na-O-P +mp-2714665,Na3LaHf3(PO4)6,-8.3154206543,-3.1809478385,0.036400608,0.036400608,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Hf-La-Na-O-P,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Hf-La-Na-O-P +mp-2715408,Na3LaHfSi(PO6)2,-7.804382454,-3.0807344743,0.087853115,0.087853115,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Hf-La-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Hf-La-Na-O-P-Si, expected Na14La3Hf3Si3(P5O36)2 to be Na3LaHfSi(PO6)2" +mp-2715314,Na3LaHfSi(PO6)2,-7.7983432443,-3.0746952646,0.0938923248,0.0938923248,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Hf-La-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Hf-La-Na-O-P-Si, expected Na3LaHfSi(PO15)2 to be Na3LaHfSi(PO6)2" +mp-2714728,Na7La2Hf2Si3(PO8)3,-7.7440487912,-3.1030619619,0.0534418836,0.0534418836,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Hf-La-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Hf-La-Na-O-P-Si +mp-1173142,SrYbAl2Si2N5O2,-7.4995031765,-1.8728307534,0.151937119,0.151937119,GGA,P1,A2B5C2D2EF_aP26_1_4a_10a_4a_4a_2a_2a:Al-N-O-Si-Sr-Yb,,A2B5C2D2EF_aP26_1_4a_10a_4a_4a_2a_2a:Al-N-O-Si-Sr-Yb +mp-1208597,SrYbAl3SiN4O3,-7.410010395,-2.1733032345,0.1577512177,0.1577512177,GGA,P6_3mc,A3B4C3DEF_hP26_186_c_ac_c_a_b_b:Al-N-O-Si-Sr-Yb,,A3B4C3DEF_hP26_186_c_ac_c_a_b_b:Al-N-O-Si-Sr-Yb +mp-1195911,SrYb4Si5O17,-7.5769122785,-3.1669780261,0.0127944371,0.0127944371,GGA,P2_1/m,A17B5CD4_mP54_11_a2e7f_e2f_e_2f:O-Si-Sr-Yb,,A17B5CD4_mP54_11_a2e7f_e2f_e_2f:O-Si-Sr-Yb +mp-542883,SrYbSi4N7,-7.6796588377,-1.2730558894,0.0282994362,0.0282994362,GGA,P6_3mc,A7B4CD_hP26_186_a2c_ac_b_b:N-Si-Sr-Yb,,A7B4CD_hP26_186_a2c_ac_b_b:N-Si-Sr-Yb +mp-557864,Fe2WC10(SeO5)2,-7.7657381402,-0.6199966345,0.6257789102,0.6257789102,GGA+U,P-1,A10B2C10D2E_aP50_2_10i_2i_10i_2i_i:C-Fe-O-Se-W,50.0,"Invalid WP multiplicities - A10B2C10D2E_aP50_2_19i_4i_20i_3i_i:C-Fe-O-Se-W, expected Fe4WC19Se3O20 to be Fe2WC10(SeO5)2" +mp-1225054,Fe4TeSe3,-6.3488719987,-0.409981353,0.0575817947,0.0575817947,GGA,Amm2,A4B3C_oC16_38_2bd_ae_a:Fe-Se-Te,8.0,A4B3C_oC16_38_2bd_ae_a:Fe-Se-Te +mp-624009,Fe2TeWC10SeO10,-7.7305933358,-0.5989560535,0.6185108023,0.6185108023,GGA+U,P-1,A10B2C10DEF_aP50_2_10i_2i_10i_i_i_i:C-Fe-O-Se-Te-W,50.0,"Invalid WP multiplicities - A10B2C10DEF_aP50_2_18i_3i_18i_i_i_i:C-Fe-O-Se-Te-W, expected Fe3TeWC18SeO18 to be Fe2TeWC10SeO10" +mp-1224990,Fe4Te3Se,-6.1709105813,-0.3201713315,0.0666805891,0.0666805891,GGA,Pmm2,A4BC3_oP8_25_acf_b_de:Fe-Se-Te,8.0,A4BC3_oP8_25_acf_b_de:Fe-Se-Te +mp-1224985,Fe4Te3Se,-6.1692939638,-0.318554714,0.0682972066,0.0682972066,GGA,Amm2,A4BC3_oC16_38_2bd_a_ae:Fe-Se-Te,8.0,A4BC3_oC16_38_2bd_a_ae:Fe-Se-Te +mp-1225000,Fe4Te3Se,-6.1701955275,-0.3194562778,0.0673956428,0.0673956428,GGA,P4mm,A4BC3_tP8_99_2c_a_a2b:Fe-Se-Te,8.0,"Invalid WP multiplicities - A4BC3_tP8_99_4c_a_a2b:Fe-Se-Te, expected Fe8Te3Se to be Fe4Te3Se" +mp-1224987,Fe4Te3Se,-6.1709197562,-0.3201805065,0.0666714141,0.0666714141,GGA,I4mm,A4BC3_tI16_107_c_a_ab:Fe-Se-Te,8.0,A4BC3_tI16_107_c_a_ab:Fe-Se-Te +mp-1225183,Fe3Te2Se,-6.2026656642,-0.3372345151,0.0630692767,0.0630692767,GGA,P4mm,A3BC2_tP12_99_3c_2a_a3b:Fe-Se-Te,12.0,"Invalid WP multiplicities - A3BC2_tP12_99_6c_2a_a3b:Fe-Se-Te, expected Fe6Te2Se to be Fe3Te2Se" +mp-1225136,Fe2TeSe,-6.241740725,-0.3469257773,0.0802817569,0.0802817569,GGA,P4mm,A2BC_tP4_99_c_a_b:Fe-Se-Te,4.0,A2BC_tP4_99_c_a_b:Fe-Se-Te +mp-651051,Te2W3(CO)15,-8.0987339106,-0.7332677526,0.4837997672,0.4837997672,GGA+U,P4_12_12,A15B15C2D3_tP140_92_a7b_a7b_b_ab:C-O-Te-W,140.0,"Invalid WP multiplicities - A15B15C2D3_tP140_92_4a52b_4a48b_b_3a4b:C-O-Te-W, expected Te2W11(C27O25)4 to be Te2W3(CO)15" +mp-559754,Fe2Te2W(CO)10,-7.7080317342,-0.5904986752,0.5986594917,0.5986594917,GGA+U,P-1,A10B2C10D2E_aP50_2_10i_2i_10i_2i_i:C-Fe-O-Te-W,50.0,"Invalid WP multiplicities - A10B2C10D2E_aP50_2_20i_2i_20i_2i_i:C-Fe-O-Te-W, expected Fe2Te2W(CO)20 to be Fe2Te2W(CO)10" +mp-1173260,Sr2Li4MnS3O2,-5.3124533175,-1.7725015935,0.2485574001,0.2485574001,GGA+U,P4/mmm,A4BC2D3E2_tP12_123_i_b_e_cg_h:Li-Mn-O-S-Sr,12.0,A4BC2D3E2_tP12_123_i_b_e_cg_h:Li-Mn-O-S-Sr +mp-1232983,Sr4LiMn2Cu3(SO)4,-5.9488170567,-1.7476447463,0.1740732907,0.1740732907,GGA+U,P1,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr +mp-1235403,Sr4LiMn2Cu3(SO)4,-5.9666245167,-1.7654522063,0.1562658307,0.1562658307,GGA+U,P1,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr +mp-1236109,Sr4LiMn2Cu3(SO)4,-5.9687716289,-1.7675993185,0.1541187184,0.1541187184,GGA+U,P1,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_aP18_1_3a_a_2a_4a_4a_4a:Cu-Li-Mn-O-S-Sr +mp-1235142,Sr4LiMn2Cu3(SO)4,-5.9456433,-1.7444709896,0.1772470473,0.1772470473,GGA+U,C2,A3BC2D4E4F4_mC36_5_2ab_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_mC36_5_2ab_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr +mp-1235689,Sr4LiMn2Cu3(SO)4,-5.9360416622,-1.7348693519,0.1868486851,0.1868486851,GGA+U,C2,A3BC2D4E4F4_mC36_5_a2b_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_mC36_5_a2b_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr +mp-1236434,Sr4LiMn2Cu3(SO)4,-5.9419045806,-1.7407322702,0.1809857668,0.1809857668,GGA+U,C2,A3BC2D4E4F4_mC36_5_2ab_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr,18.0,A3BC2D4E4F4_mC36_5_2ab_a_c_2a2b_2c_2c:Cu-Li-Mn-O-S-Sr +mp-1235184,Sr4LiMn2Cu3(SO)4,-6.0441167894,-1.8429444791,0.0787735579,0.0787735579,GGA+U,C222,A3BC2D4E4F4_oC36_21_abc_d_k_ef_l_l:Cu-Li-Mn-O-S-Sr,18.0,"Invalid WP multiplicities - A3BC2D4E4F4_oC36_21_abc_d_k_2e2f_l_l:Cu-Li-Mn-O-S-Sr, expected Sr4LiMn2Cu3(SO2)4 to be Sr4LiMn2Cu3(SO)4" +mp-2715782,Na2Nb6In2Si7S5O48,-7.843426793,-2.6311870506,0.054166131,0.054166131,GGA,P1,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:In-Na-Nb-O-S-Si,210.0,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:In-Na-Nb-O-S-Si +mp-2714589,Na14Nb4In4Si11SO48,-7.2444423323,-2.7178165332,0.0477609004,0.0477609004,GGA,P1,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:In-Na-Nb-O-S-Si,246.0,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:In-Na-Nb-O-S-Si +mp-2713748,Na2Nb5In3Si6(SO8)6,-7.5952464384,-2.5064136884,0.0714242174,0.0714242174,GGA,P1,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:In-Na-Nb-O-S-Si,210.0,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:In-Na-Nb-O-S-Si +mp-2712725,Na2NbIn3Si2(SO6)4,-6.8966721755,-2.2544951917,0.0680296213,0.0680296213,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:In-Na-Nb-O-S-Si,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:In-Na-Nb-O-S-Si +mp-2716165,Na2Nb4In4Si5S7O48,-7.350517242,-2.3850914845,0.0828140633,0.0828140633,GGA,P1,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:In-Na-Nb-O-S-Si,210.0,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:In-Na-Nb-O-S-Si +mp-2716477,Na10Nb6In2Si11SO48,-7.7134615539,-2.8340710799,0.0571256561,0.0571256561,GGA,P1,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:In-Na-Nb-O-S-Si,234.0,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:In-Na-Nb-O-S-Si +mp-2714670,Na6Nb3In5Si6(SO8)6,-7.0946779733,-2.408067824,0.095915129,0.095915129,GGA,P1,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:In-Na-Nb-O-S-Si,222.0,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:In-Na-Nb-O-S-Si +mp-2716177,Na8NbIn3Si5SO24,-6.8193932415,-2.5593902019,0.0608451617,0.0608451617,GGA,P1,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:In-Na-Nb-O-S-Si,126.0,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:In-Na-Nb-O-S-Si +mp-2713193,NbInSi(SO6)2,-7.3479524757,-2.2943365305,0.0734717645,0.0734717645,GGA,Cc,ABC12D2E_mC204_9_3a_3a_36a_6a_3a:In-Nb-O-S-Si,102.0,"Invalid WP multiplicities - ABC12D2E_mC204_9_3a_3a_60a_9a_3a:In-Nb-O-S-Si, expected NbInSiS3O20 to be NbInSi(SO6)2" +mp-1018022,NbInS2,-6.3979910725,-1.1165189466,0.0,-0.0455694937,GGA,P-6m2,ABC2_hP4_187_a_d_g:In-Nb-S,4.0,ABC2_hP4_187_a_d_g:In-Nb-S +mp-20621,NbInS2,-6.38210987,-1.1006377441,0.0158812025,-0.0296882912,GGA,P-6m2,ABC2_hP4_187_a_b_h:In-Nb-S,4.0,ABC2_hP4_187_a_b_h:In-Nb-S +mp-2715579,Na2Nb3InSi4(SO12)2,-7.8152651821,-2.6931721166,0.0674852884,0.0674852884,GGA,P1,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:In-Na-Nb-O-S-Si,108.0,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:In-Na-Nb-O-S-Si +mp-2713920,Nb3InSi3(SO8)3,-7.8557997084,-2.5481105434,0.0398086448,0.0398086448,GGA,P1,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:In-Nb-O-S-Si,102.0,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:In-Nb-O-S-Si +mp-2715865,Na10Nb2In6Si7S5O48,-6.8566017841,-2.4202107703,0.1120475361,0.1120475361,GGA,P1,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:In-Na-Nb-O-S-Si,234.0,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:In-Na-Nb-O-S-Si +mp-2714761,Na14Nb2In6Si9(SO16)3,-6.826219668,-2.5102887342,0.0887865938,0.0887865938,GGA,P1,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:In-Na-Nb-O-S-Si,246.0,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:In-Na-Nb-O-S-Si +mp-2713803,Na2Nb2In2Si3(SO8)3,-7.3195163981,-2.4373813735,0.1042097355,0.1042097355,GGA,P1,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:In-Na-Nb-O-S-Si,108.0,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:In-Na-Nb-O-S-Si +mp-2712980,Na6Nb6In2Si9(SO16)3,-7.7768650814,-2.7400458994,0.0836554315,0.0836554315,GGA,P1,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:In-Na-Nb-O-S-Si,222.0,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:In-Na-Nb-O-S-Si +mp-2713597,Na4NbIn3Si3(SO8)3,-6.8644512212,-2.3630751643,0.1029515127,0.1029515127,GGA,P1,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:In-Na-Nb-O-S-Si,114.0,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:In-Na-Nb-O-S-Si +mp-2713003,Na6Nb4In4Si7S5O48,-7.3343175036,-2.5309710101,0.0795847356,0.0795847356,GGA,P1,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:In-Na-Nb-O-S-Si,222.0,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:In-Na-Nb-O-S-Si +mp-2716488,Na2Nb2In6Si3(S3O16)3,-6.9071484779,-2.1885367054,0.0548235977,0.0548235977,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:In-Na-Nb-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:In-Na-Nb-O-S-Si +mp-2714409,Na6NbIn3Si4(SO12)2,-6.8447449644,-2.4700897416,0.099852812,0.099852812,GGA,P1,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:In-Na-Nb-O-S-Si,120.0,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:In-Na-Nb-O-S-Si +mp-2712563,Na2NbInSi2SO12,-7.2668739121,-2.5381691848,0.1377214797,0.1377214797,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:In-Na-Nb-O-S-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:In-Na-Nb-O-S-Si, expected Na2NbInSi12SO72 to be Na2NbInSi2SO12" +mp-2713762,Na6Nb2In2Si5SO24,-7.261910825,-2.6712933653,0.0727841755,0.0727841755,GGA,P1,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:In-Na-Nb-O-S-Si,120.0,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:In-Na-Nb-O-S-Si +mp-2712892,NbIn3SiS5O24,-6.8994268107,-2.0998840853,0.0478133165,0.0478133165,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:In-Nb-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:In-Nb-O-S-Si +mp-2713351,Na10NbIn7Si6(SO8)6,-6.6554062592,-2.3297651104,0.1002517661,0.1002517661,GGA,P1,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:In-Na-Nb-O-S-Si,234.0,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:In-Na-Nb-O-S-Si +mp-2714213,Na10Nb4In4Si9(SO16)3,-7.2607133703,-2.6028226264,0.1097741226,0.1097741226,GGA,P1,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:In-Na-Nb-O-S-Si,234.0,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:In-Na-Nb-O-S-Si +mp-2716064,Na6Nb2In6Si5S7O48,-6.8697585855,-2.2998847804,0.096330179,0.096330179,GGA,P1,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:In-Na-Nb-O-S-Si,222.0,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:In-Na-Nb-O-S-Si +mp-2715176,Na4Nb3InSi5SO24,-7.744001932,-2.7879685344,0.0730063213,0.0730063213,GGA,P1,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:In-Na-Nb-O-S-Si,114.0,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:In-Na-Nb-O-S-Si +mp-699587,MnSi6Pb8O21,-7.3283108715,-2.458989678,0.0,-0.012978622,GGA+U,R-3c,AB21C8D6_hR216_167_a_e3f_cf_f:Mn-O-Pb-Si,72.0,"Invalid WP multiplicities - AB21C8D6_hR216_167_a_6e27f_3c4f_f:Mn-O-Pb-Si, expected MnSi6(PbO6)30 to be MnSi6Pb8O21" +mp-1210715,MnPb(SO4)2,-7.0503586135,-1.9902692981,0.0,-0.0276162615,GGA+U,P4_12_12,AB8CD2_tP48_92_a_4b_a_b:Mn-O-Pb-S,48.0,AB8CD2_tP48_92_a_4b_a_b:Mn-O-Pb-S +mp-1196911,MnPb(SO4)2,-7.0503452683,-1.9902559528,1.33452e-05,-0.0276029163,GGA+U,P4_32_12,AB8CD2_tP48_96_a_4b_a_b:Mn-O-Pb-S,48.0,AB8CD2_tP48_96_a_4b_a_b:Mn-O-Pb-S +mp-1203019,Ca6MnSi6Pb2(SO16)2,-7.1169254755,-2.4691753656,0.264364044,0.264364044,GGA+U,C2/m,A6BC32D2E2F6_mC98_12_ij_a_6i5j_i_i_ij:Ca-Mn-O-Pb-S-Si,49.0,A6BC32D2E2F6_mC98_12_ij_a_6i5j_i_i_ij:Ca-Mn-O-Pb-S-Si +mp-558292,Mn5Pb(SO4)6,-7.3892916933,-2.0264596988,0.0005466978,0.0005466978,GGA+U,P-3,A5B24CD6_hP108_147_ad2g_12g_bd_3g:Mn-O-Pb-S,108.0,"Invalid WP multiplicities - A5B24CD6_hP108_147_ad8g_67g_bd_14g:Mn-O-Pb-S, expected Mn17Pb(S14O67)2 to be Mn5Pb(SO4)6" +mp-557611,Mn2Si2Pb2O9,-7.701414218,-2.2934036056,0.1102537615,0.1102537615,GGA+U,C222_1,A2B9C2D2_oC60_20_ab_a4c_c_c:Mn-O-Pb-Si,30.0,"Invalid WP multiplicities - A2B9C2D2_oC60_20_a2b_2a14c_c_c:Mn-O-Pb-Si, expected Mn3Si2(PbO15)2 to be Mn2Si2Pb2O9" +mp-680842,Ca5MnPb3,-3.6717464022,-0.3019735242,0.1810707447,0.1810707447,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ca-Mn-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_2d2g_b_g:Ca-Mn-Pb, expected Ca10MnPb3 to be Ca5MnPb3" +mp-651786,Ca5MnSi9(Pb3O11)3,-7.4144318732,-2.7710559422000003,0.0010865623,0.0010865623,GGA+U,P-6,A5BC33D9E9_hP57_174_agh_c_j2k4l_kl_kl:Ca-Mn-O-Pb-Si,57.0,"Invalid WP multiplicities - A5BC33D9E9_hP57_174_a2g2h_c_2j5k20l_2k3l_3k4l:Ca-Mn-O-Pb-Si, expected Ca9MnSi33(Pb8O47)3 to be Ca5MnSi9(Pb3O11)3" +mp-725114,K2MgCr2(H2O5)2,-0.7550261437,3.7799719709,5.6377888755,5.6377888755,GGA+U,P-1,A2B4C2DE10_aP19_2_i_2i_i_a_5i:Cr-H-K-Mg-O,19.0,"Invalid WP multiplicities - A2B4C2DE10_aP19_2_i_2i_i_a_6i:Cr-H-K-Mg-O, expected K2MgCr2(HO3)4 to be K2MgCr2(H2O5)2" +mp-1416168,K2MgCr2(H2O5)2,-4.1674420479,0.3675560667,2.2253729713,2.2253729713,GGA+U,P-1,A2B4C2DE10_aP19_2_i_2i_i_a_5i:Cr-H-K-Mg-O,19.0,"Invalid WP multiplicities - A2B4C2DE10_aP19_2_i_2i_i_a_7i:Cr-H-K-Mg-O, expected K2MgCr2(H2O7)2 to be K2MgCr2(H2O5)2" +mp-1038595,Mg30CrCdO32,-6.3141328969,-2.9254082486,0.055413166,0.055413166,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Cd-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Cd-Cr-Mg-O, expected Mg90CrCdO80 to be Mg30CrCdO32" +mp-1038570,Mg30CrCdO32,-6.3143781845,-2.9256535362,0.0551678784,0.0551678784,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Cd-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Cd-Cr-Mg-O, expected Mg110CrCdO72 to be Mg30CrCdO32" +mp-1021292,KMg6Cd,-1.3187463019,0.135624824,0.1873753078,0.1873753078,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-K-Mg, expected KMg12Cd to be KMg6Cd" +mp-1021298,KMg6Cd,-1.3198132975,0.1345578284,0.1863083121,0.1863083121,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-K-Mg, expected KMg12Cd to be KMg6Cd" +mp-1016603,Mg6CrCd,-2.4174837325,0.1047184588,0.1564689425,0.1564689425,GGA,Amm2,ABC6_oC16_38_a_b_abde:Cd-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Cd-Cr-Mg, expected Mg12CrCd to be Mg6CrCd" +mp-1016619,Mg6CrCd,-2.4188608687,0.1033413225,0.1550918063,0.1550918063,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Cd-Cr-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Cd-Cr-Mg, expected Mg12CrCd to be Mg6CrCd" +mp-1026506,Mg14CrCd,-2.0047696013,0.0564715194,0.0961535529,0.0961535529,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-Cr-Mg, expected Mg18CrCd to be Mg14CrCd" +mp-1026496,Mg14CrCd,-2.0084971681,0.0527439525,0.0924259861,0.0924259861,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-Cr-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-Cr-Mg, expected Mg26CrCd to be Mg14CrCd" +mp-1026829,KMg14Cd,-1.4491807969,0.0781447911,0.1178268246,0.1178268246,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Cd-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Cd-K-Mg, expected KMg18Cd to be KMg14Cd" +mp-1026824,KMg14Cd,-1.4418884494,0.0854371386,0.1251191721,0.1251191721,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Cd-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Cd-K-Mg, expected KMg26Cd to be KMg14Cd" +mp-1033886,Mg14CrCdO16,-6.3362053663,-2.8322404503,0.0753620795,0.0753620795,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Cd-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Cd-Cr-Mg-O, expected Mg18CrCdO20 to be Mg14CrCdO16" +mp-1033888,Mg14CrCdO16,-6.3311868394,-2.8272219234,0.0803806064,0.0803806064,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Cd-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Cd-Cr-Mg-O, expected Mg30CrCdO32 to be Mg14CrCdO16" +mp-2218930,MgCr2Cd2O8,-6.4281902546000005,-1.6339083931,0.3003319449,0.3003319449,GGA+U,C2/m,A2B2CD8_mC26_12_ac_i_b_2ij:Cd-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_mC26_12_ac_i_b_4ij:Cd-Cr-Mg-O, expected MgCr2Cd2O12 to be MgCr2Cd2O8" +mp-2218866,MgCr2Cd2O8,-6.6018227215,-1.80754086,0.1266994779,0.1266994779,GGA+U,Amm2,A2B2CD8_oC26_38_c_ab_a_2cde:Cd-Cr-Mg-O,13.0,"Invalid WP multiplicities - A2B2CD8_oC26_38_c_ab_a_3cd2e:Cd-Cr-Mg-O, expected MgCr2Cd2O12 to be MgCr2Cd2O8" +mp-2230044,K2MgCr2Cd(H2O5)2,-6.060722384,-1.7063296872,0.1721489628,0.1721489628,GGA+U,P1,AB2C4D2EF10_aP20_1_a_2a_4a_2a_a_10a:Cd-Cr-H-K-Mg-O,20.0,AB2C4D2EF10_aP20_1_a_2a_4a_2a_a_10a:Cd-Cr-H-K-Mg-O +mp-2230097,K2MgCr2Cd(H2O5)2,-6.1066384395,-1.7522457427,0.1262329073,0.1262329073,GGA+U,P1,AB2C4D2EF10_aP20_1_a_2a_4a_2a_a_10a:Cd-Cr-H-K-Mg-O,20.0,AB2C4D2EF10_aP20_1_a_2a_4a_2a_a_10a:Cd-Cr-H-K-Mg-O +mp-818996,K2Cr2Cd(H2O5)2,-1.0664167511,3.432929243,5.1161024382,5.1161024382,GGA+U,P-1,AB2C4D2E10_aP19_2_a_i_2i_i_5i:Cd-Cr-H-K-O,19.0,"Invalid WP multiplicities - AB2C4D2E10_aP19_2_a_i_2i_i_6i:Cd-Cr-H-K-O, expected K2Cr2Cd(HO3)4 to be K2Cr2Cd(H2O5)2" +mp-1414055,K2Cr2Cd(H2O5)2,-4.40526703,0.094078964,1.7772521592,1.7772521592,GGA+U,P-1,AB2C4D2E10_aP19_2_a_i_2i_i_5i:Cd-Cr-H-K-O,19.0,"Invalid WP multiplicities - AB2C4D2E10_aP19_2_a_i_2i_i_6i:Cd-Cr-H-K-O, expected K2Cr2Cd(HO3)4 to be K2Cr2Cd(H2O5)2" +mp-1191337,K2Cr4CdO16,-6.7072327713,-1.4505850794,0.1769954195,0.1769954195,GGA+U,P-1,AB4C2D16_aP23_2_a_2i_i_8i:Cd-Cr-K-O,23.0,AB4C2D16_aP23_2_a_2i_i_8i:Cd-Cr-K-O +mp-1033390,Mg6CrCdO8,-6.3412097669,-2.6067643156,0.1544004447,0.1544004447,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Cd-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Cd-Cr-Mg-O, expected Mg6CrCdO12 to be Mg6CrCdO8" +mp-1033407,Mg6CrCdO8,-6.3427799837,-2.6083345325,0.1528302278,0.1528302278,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Cd-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Cd-Cr-Mg-O, expected Mg6CrCdO12 to be Mg6CrCdO8" +mp-2714790,Na3Hf3ScSi3(SO8)3,-7.9957831999,-2.9261225287,0.0730849648,0.0730849648,GGA,P1,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Hf-Na-O-S-Sc-Si,111.0,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Hf-Na-O-S-Sc-Si +mp-2715836,Na10Hf4Sc4Si7S5O48,-7.7211813106,-2.9200990137,0.0883813838,0.0883813838,GGA,P1,A4B10C48D5E4F7_aP234_1_12a_30a_144a_15a_12a_21a:Hf-Na-O-S-Sc-Si,234.0,A4B10C48D5E4F7_aP234_1_12a_30a_144a_15a_12a_21a:Hf-Na-O-S-Sc-Si +mp-2713638,Na4Hf2Sc2Si3(SO8)3,-7.7632777946,-2.8876133155,0.0763201936,0.0763201936,GGA,P1,A2B4C24D3E2F3_aP114_1_6a_12a_72a_9a_6a_9a:Hf-Na-O-S-Sc-Si,114.0,A2B4C24D3E2F3_aP114_1_6a_12a_72a_9a_6a_9a:Hf-Na-O-S-Sc-Si +mp-2715651,Na8Hf2Sc2Si5SO24,-7.6284889332,-3.0298439878,0.033711526,0.033711526,GGA,P1,A2B8C24DE2F5_aP126_1_6a_24a_72a_3a_6a_15a:Hf-Na-O-S-Sc-Si,126.0,A2B8C24DE2F5_aP126_1_6a_24a_72a_3a_6a_15a:Hf-Na-O-S-Sc-Si +mp-2716049,Na6Hf4Sc4Si5S7O48,-7.8068868427,-2.8526087122,0.0643699686,0.0643699686,GGA,P1,A4B6C48D7E4F5_aP222_1_12a_18a_144a_21a_12a_15a:Hf-Na-O-S-Sc-Si,222.0,A4B6C48D7E4F5_aP222_1_12a_18a_144a_21a_12a_15a:Hf-Na-O-S-Sc-Si +mp-2715084,Na14Hf4Sc4Si9(SO16)3,-7.6581174138,-2.9952850155,0.0562497325,0.0562497325,GGA,P1,A4B14C48D3E4F9_aP246_1_12a_42a_144a_9a_12a_27a:Hf-Na-O-S-Sc-Si,246.0,A4B14C48D3E4F9_aP246_1_12a_42a_144a_9a_12a_27a:Hf-Na-O-S-Sc-Si +mp-2714394,Na3HfScSi2SO12,-7.692695036,-2.9624658121,0.0749171684,0.0749171684,GGA,Cc,AB3C12DEF2_mC80_9_a_3a_12a_a_a_2a:Hf-Na-O-S-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12DEF2_mC80_9_a_13a_72a_a_a_7a:Hf-Na-O-S-Sc-Si, expected Na13HfScSi7SO72 to be Na3HfScSi2SO12" +mp-2716334,Na5HfSc3Si3(SO8)3,-7.537455843,-2.8458390334,0.0846294136,0.0846294136,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-S-Sc-Si,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-S-Sc-Si +mp-2712608,NaHfScSi(SO6)2,-7.8487202814,-2.8114610743,0.0559541765,0.0559541765,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Hf-Na-O-S-Sc-Si,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Hf-Na-O-S-Sc-Si, expected NaHfScSiS3O20 to be NaHfScSi(SO6)2" +mp-2716386,Na2Hf4Sc4Si3(S3O16)3,-7.884346667,-2.7593646076,0.0369803085,0.0369803085,GGA,P1,A4B2C48D9E4F3_aP210_1_12a_6a_144a_27a_12a_9a:Hf-Na-O-S-Sc-Si,210.0,A4B2C48D9E4F3_aP210_1_12a_6a_144a_27a_12a_9a:Hf-Na-O-S-Sc-Si +mp-2712847,Hf2Sc2SiS5O24,-7.9305241638,-2.7126590843,0.0084348891,0.0084348891,GGA,P1,A2B24C5D2E_aP102_1_6a_72a_15a_6a_3a:Hf-O-S-Sc-Si,102.0,A2B24C5D2E_aP102_1_6a_72a_15a_6a_3a:Hf-O-S-Sc-Si +mp-758238,Na2ZnPHO5,-6.0068108585,-2.262384228,0.0,-0.007919172,GGA,P2_1/c,AB2C5DE_mP40_14_e_2e_5e_e_e:H-Na-O-P-Zn,40.0,"Invalid WP multiplicities - AB2C5DE_mP40_14_e_7e_17e_e_e:H-Na-O-P-Zn, expected Na7ZnPHO17 to be Na2ZnPHO5" +mp-707732,Na4ZnP6(HO2)12,-6.2788605585,-2.0562456344,0.0628660922,0.0628660922,GGA,P-1,A12B4C24D6E_aP47_2_6i_2i_12i_3i_a:H-Na-O-P-Zn,47.0,A12B4C24D6E_aP47_2_6i_2i_12i_3i_a:H-Na-O-P-Zn +mp-505561,Na2ZnP4(H4O5)4,-6.0193304906,-1.8617631611,0.0122216977,0.0122216977,GGA,P2_1/c,A16B2C20D4E_mP86_14_8e_e_10e_2e_a:H-Na-O-P-Zn,86.0,A16B2C20D4E_mP86_14_8e_e_10e_2e_a:H-Na-O-P-Zn +mp-1198456,Na2ZnP4(H4O5)4,-6.0248808206,-1.8673134911,0.0066713677,0.0066713677,GGA,P2_1/c,A16B2C20D4E_mP86_14_8e_e_10e_2e_a:H-Na-O-P-Zn,86.0,A16B2C20D4E_mP86_14_8e_e_10e_2e_a:H-Na-O-P-Zn +mp-24001,NaZn2P2HO8,-6.4743354786000005,-2.3575602456,0.0,-0.0147323174,GGA,P-1,ABC8D2E2_aP28_2_i_i_8i_2i_2i:H-Na-O-P-Zn,28.0,"Invalid WP multiplicities - ABC8D2E2_aP28_2_i_i_8i_4i_2i:H-Na-O-P-Zn, expected NaZn2P4HO8 to be NaZn2P2HO8" +mp-740740,Na2ZnP(H5O4)3,-5.4366001385,-1.5795274961,0.0187620752,0.0187620752,GGA,P2_1/c,A15B2C12DE_mP124_14_15e_2e_12e_e_e:H-Na-O-P-Zn,124.0,A15B2C12DE_mP124_14_15e_2e_12e_e_e:H-Na-O-P-Zn +mp-1210311,Na2ZnH3Cl4,-2.690964675,-0.5432527778,0.7859322125,0.7859322125,GGA,P31m,A4B3C2D_hP10_157_ac_c_b_a:Cl-H-Na-Zn,10.0,A4B3C2D_hP10_157_ac_c_b_a:Cl-H-Na-Zn +mp-24733,NaZnP3(H4O5)2,-5.8928459753,-1.743677632,0.0242961861,0.0242961861,GGA,Pbca,A8BC10D3E_oP184_61_8c_c_10c_3c_c:H-Na-O-P-Zn,184.0,A8BC10D3E_oP184_61_8c_c_10c_3c_c:H-Na-O-P-Zn +mp-616461,Na2ZnCl4,-3.5129701057,-1.8988357004,0.0,-0.0260977457,GGA,Pnma,A4B2C_oP28_62_2cd_ac_c:Cl-Na-Zn,28.0,"Invalid WP multiplicities - A4B2C_oP28_62_7c4d_3a2c_c:Cl-Na-Zn, expected Na5ZnCl15 to be Na2ZnCl4" +mp-727247,Na2ZnCl4O3,-3.100491033,-0.4865903359,0.9730580626,0.9730580626,GGA,Cm,A4B2C3D_mC20_8_2ab_b_ab_a:Cl-Na-O-Zn,10.0,A4B2C3D_mC20_8_2ab_b_ab_a:Cl-Na-O-Zn +mp-24507,Na6Zn3P4H6O19,-6.0903258962,-2.2031934119,0.0101150778,0.0101150778,GGA,P2_13,A6B6C19D4E3_cP152_198_2b_2b_4a5b_4a_b:H-Na-O-P-Zn,152.0,A6B6C19D4E3_cP152_198_2b_2b_4a5b_4a_b:H-Na-O-P-Zn +mp-707459,Na2ZnP2(H5O6)2,-5.8373755697,-1.8366746736,0.0161556089,0.0161556089,GGA,P2_1/c,A10B2C12D2E_mP108_14_10e_2e_12e_2e_e:H-Na-O-P-Zn,108.0,A10B2C12D2E_mP108_14_10e_2e_12e_2e_e:H-Na-O-P-Zn +mp-23799,NaZnP2HO7,-6.6610354454,-2.3753337004,0.0170161388,0.0170161388,GGA,P-1,ABC7D2E_aP24_2_i_i_7i_2i_i:H-Na-O-P-Zn,24.0,ABC7D2E_aP24_2_i_i_7i_2i_i:H-Na-O-P-Zn +mp-738635,NaZnP2HClO7,-6.085542171,-1.9873146632,0.2541332037,0.2541332037,GGA,P4_12_12,ABCD7E2F_tP104_92_b_b_2a_7b_2b_b:Cl-H-Na-O-P-Zn,104.0,ABCD7E2F_tP104_92_b_b_2a_7b_2b_b:Cl-H-Na-O-P-Zn +mp-684698,Sn2As2H22C7(ClO2)2,-4.6473036018,-0.0303333422,0.5902166447,0.5902166447,GGA,P1,A2B7C2D22E4F2_aP39_1_2a_7a_2a_22a_4a_2a:As-C-Cl-H-O-Sn,39.0,A2B7C2D22E4F2_aP39_1_2a_7a_2a_22a_4a_2a:As-C-Cl-H-O-Sn +mp-1203168,Sn2H12C4Cl2O,-4.935056155,-0.4450428097,0.0922497521,0.0922497521,GGA,P2_1/c,A4B2C12DE2_mP84_14_4e_2e_12e_e_2e:C-Cl-H-O-Sn,84.0,A4B2C12DE2_mP84_14_4e_2e_12e_e_2e:C-Cl-H-O-Sn +mp-2713904,Nb2Si3Ge2(SO8)3,-7.6065700723,-2.4049671737,0.0540431743,0.0540431743,GGA,P1,A2B2C24D3E3_aP102_1_6a_6a_72a_9a_9a:Ge-Nb-O-S-Si,102.0,A2B2C24D3E3_aP102_1_6a_6a_72a_9a_9a:Ge-Nb-O-S-Si +mp-1220537,Nb4GeS8,-7.1912821738,-1.1820631777,0.1167556438,0.1167556438,GGA,P3m1,AB4C8_hP13_156_a_2a2b_2a2b4c:Ge-Nb-S,13.0,AB4C8_hP13_156_a_2a2b_2a2b4c:Ge-Nb-S +mp-2716411,Na10Nb4Si11Ge4SO48,-7.5199479749,-2.733042964,0.0761988566,0.0761988566,GGA,P1,A4B10C4D48EF11_aP234_1_12a_30a_12a_144a_3a_33a:Ge-Na-Nb-O-S-Si,234.0,A4B10C4D48EF11_aP234_1_12a_30a_12a_144a_3a_33a:Ge-Na-Nb-O-S-Si +mp-2715734,NaNbSi2GeSO12,-7.5929270324,-2.5710265518,0.086179091,0.086179091,GGA,Cc,ABCD12EF2_mC72_9_a_a_a_12a_a_2a:Ge-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12EF2_mC72_9_a_a_a_60a_a_7a:Ge-Na-Nb-O-S-Si, expected NaNbSi7GeSO60 to be NaNbSi2GeSO12" +mp-2713114,Na6Nb4Si9Ge4(SO16)3,-7.5706592189,-2.6313247141,0.1028381101,0.1028381101,GGA,P1,A4B6C4D48E3F9_aP222_1_12a_18a_12a_144a_9a_27a:Ge-Na-Nb-O-S-Si,222.0,A4B6C4D48E3F9_aP222_1_12a_18a_12a_144a_9a_27a:Ge-Na-Nb-O-S-Si +mp-2715001,Na4Nb2Si5Ge2SO24,-7.5385439423,-2.6774298357,0.1070323673,0.1070323673,GGA,P1,A2B4C2D24EF5_aP114_1_6a_12a_6a_72a_3a_15a:Ge-Na-Nb-O-S-Si,114.0,A2B4C2D24EF5_aP114_1_6a_12a_6a_72a_3a_15a:Ge-Na-Nb-O-S-Si +mp-867739,Nb3GeS6,-7.2582769545,-1.2837127369,0.0,-0.0468202988,GGA,P6_3/mcm,AB3C6_hP20_193_b_ac_k:Ge-Nb-S,20.0,"Invalid WP multiplicities - AB3C6_hP20_193_b_a2c_k:Ge-Nb-S, expected Nb5GeS6 to be Nb3GeS6" +mp-2715773,Na2Nb4Si7Ge4S5O48,-7.6018323218,-2.4926478096,0.0686975,0.0686975,GGA,P1,A4B2C4D48E5F7_aP210_1_12a_6a_12a_144a_15a_21a:Ge-Na-Nb-O-S-Si,210.0,A4B2C4D48E5F7_aP210_1_12a_6a_12a_144a_15a_21a:Ge-Na-Nb-O-S-Si +mp-2713842,NaNbSi3Ge3(SO8)3,-7.2387781251,-2.3045282206,0.0861962126,0.0861962126,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ge-Na-Nb-O-S-Si,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ge-Na-Nb-O-S-Si +mp-1198522,K2Mg(SeO7)2,-4.8579015284,-0.643872957,0.6147956594,0.6147956594,GGA,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:K-Mg-O-Se,38.0,A2BC14D2_mP38_14_e_a_7e_e:K-Mg-O-Se +mp-1233549,KMgNi2H3(SeO5)2,-5.6762273363,-1.4179199384,0.154151842,0.154151842,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Mg-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Mg-Ni-O-Se +mp-1234049,KMgNi2H3(SeO5)2,-5.5871336105000005,-1.3288262126,0.2432455678,0.2432455678,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Mg-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Mg-Ni-O-Se +mp-1233025,KMgNi2H3(SeO5)2,-5.6650471621000005,-1.4067397642,0.1653320162,0.1653320162,GGA+U,Cm,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se,19.0,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se +mp-1233156,KMgNi2H3(SeO5)2,-5.6928818911,-1.4345744932,0.1374972873,0.1374972873,GGA+U,Cm,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se,19.0,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se +mp-1233858,KMgNi2H3(SeO5)2,-5.6539396005,-1.3956322026,0.1764395778,0.1764395778,GGA+U,Cm,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se,19.0,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Mg-Ni-O-Se +mp-1223496,KNi2H3(SeO5)2,-5.7831911683,-1.3772155845,0.0,-0.0173487912,GGA+U,Cm,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-K-Ni-O-Se,36.0,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-K-Ni-O-Se +mp-2227228,MgNiHO2,-5.552435462,-1.4191314225,0.443352175,0.443352175,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:H-Mg-Ni-O,5.0,ABCD2_mC10_8_a_a_a_2a:H-Mg-Ni-O +mp-2242025,MgNiHO2,-5.570476798,-1.4371727585,0.425310839,0.425310839,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:H-Mg-Ni-O,5.0,ABCD2_mC10_8_a_a_a_2a:H-Mg-Ni-O +mp-2227053,MgNiHO2,-5.188578564,-1.0552745245,0.807209073,0.807209073,GGA+U,P3m1,ABCD2_hP5_156_a_b_c_ab:H-Mg-Ni-O,5.0,ABCD2_hP5_156_a_b_c_ab:H-Mg-Ni-O +mp-2227416,MgNiHO2,-5.376972362,-1.2436683225,0.618815275,0.618815275,GGA+U,P3m1,ABCD2_hP5_156_a_b_b_ac:H-Mg-Ni-O,5.0,ABCD2_hP5_156_a_b_b_ac:H-Mg-Ni-O +mp-1202063,K2NiH12(SeO7)2,-5.4323293206,-1.401390223,0.0,-0.0065893745,GGA+U,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Ni-O-Se,62.0,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Ni-O-Se +mp-1223577,KMgH5(SeO5)2,-5.5623167511,-1.5553157358,0.0080234319,0.0080234319,GGA,P1,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mg-O-Se,19.0,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mg-O-Se +mp-1198329,K2MgH12(SeO7)2,-5.4247468971,-1.5286418843,0.0,-0.0060785234,GGA,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Mg-O-Se,62.0,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Mg-O-Se +mp-2713816,Na2Zr2Si3Ge2(SO8)3,-7.4399649129,-2.5401776818,0.0980632124,0.0980632124,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Zr,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Zr +mp-2712912,Na6Zr4Si7Ge4S5O48,-7.4113281303,-2.590806517,0.1218617558,0.1218617558,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Zr,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Zr +mp-2713452,ZrSiGe(SO6)2,-7.4691358368,-2.3968293201,0.0700042535,0.0700042535,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Zr,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Zr +mp-2714496,Na14Zr4Si11Ge4SO48,-7.3409014905,-2.7987761931,0.0676628918,0.0676628918,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Zr,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Zr +mp-2712552,Na2ZrSi2GeSO12,-7.4016469893,-2.6562191191,0.1269593018,0.1269593018,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Zr,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Zr +mp-4997,ZrGeS,-7.072995665,-1.3039362144,0.0,-0.0686493376,GGA,P4/nmm,ABC_tP6_129_a_c_c:Ge-S-Zr,6.0,ABC_tP6_129_a_c_c:Ge-S-Zr +mp-2713899,Na6Zr2Si5Ge2SO24,-7.3586347767,-2.7521303312,0.0939656067,0.0939656067,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Zr,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Zr +mp-2714211,Na10Zr4Si9Ge4(SO16)3,-7.3761761064,-2.7019910181,0.1188768401,0.1188768401,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Zr,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Zr +mp-2716153,Na2Zr4Si5Ge4S7O48,-7.4493044671,-2.4657221545,0.0907486493,0.0907486493,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Zr,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Zr +mp-728578,CrH14N4Cl3O,-5.229946955,-0.8390995423000001,0.0,-0.0015874615,GGA+U,P2_1/m,A3BC14D4E_mP46_11_ef_e_2e6f_2ef_e:Cl-Cr-H-N-O,46.0,A3BC14D4E_mP46_11_ef_e_2e6f_2ef_e:Cl-Cr-H-N-O +mp-728273,CrH14N4Cl3O,-5.1248297592,-0.7339823466000001,0.1051171958,0.1035297342,GGA+U,Pnma,A3BC14D4E_oP92_62_cd_c_2c6d_2cd_c:Cl-Cr-H-N-O,92.0,A3BC14D4E_oP92_62_cd_c_2c6d_2cd_c:Cl-Cr-H-N-O +mp-1221392,Na4CrH6ClO7,-5.2795100832,-1.5018857383,0.1777968364,0.1777968364,GGA+U,P-1,ABC6D4E7_aP38_2_i_i_6i_4i_7i:Cl-Cr-H-Na-O,38.0,"Invalid WP multiplicities - ABC6D4E7_aP38_2_i_i_12i_6i_13i:Cl-Cr-H-Na-O, expected Na6CrH12ClO13 to be Na4CrH6ClO7" +mp-849785,NaCrH22N6(Cl2O)2,-5.1140261313,-0.8661917045,0.0,-0.0059281643,GGA+U,P2_12_12_1,A4BC22D6EF2_oP144_19_4a_a_22a_6a_a_2a:Cl-Cr-H-N-Na-O,144.0,"Invalid WP multiplicities - A4BC22D6EF2_oP144_19_13a_a_85a_21a_a_5a:Cl-Cr-H-N-Na-O, expected NaCrH85N21Cl13O5 to be NaCrH22N6(Cl2O)2" +mp-1204986,CrH10N2Cl5O,-4.9473369921,-1.0293017405,0.0,-0.0082222381,GGA+U,Pnma,A5BC10D2E_oP76_62_3cd_c_5d_d_c:Cl-Cr-H-N-O,76.0,A5BC10D2E_oP76_62_3cd_c_5d_d_c:Cl-Cr-H-N-O +mp-1226479,CrH15N6Cl2O,-5.4155887094,-0.6473219203,0.0538243212,0.0538243212,GGA+U,P2_1/m,A2BC15D6E_mP50_11_f_e_3e6f_4ef_e:Cl-Cr-H-N-O,50.0,"Invalid WP multiplicities - A2BC15D6E_mP50_11_f_e_5e18f_6ef_e:Cl-Cr-H-N-O, expected CrH41N8Cl2O to be CrH15N6Cl2O" +mp-24480,CrH17N4Cl2O3,-5.3176020481,-0.9023239226,0.0,-0.0005764904,GGA+U,P-1,A2BC17D4E3_aP54_2_2i_i_17i_4i_3i:Cl-Cr-H-N-O,54.0,A2BC17D4E3_aP54_2_2i_i_17i_4i_3i:Cl-Cr-H-N-O +mp-735512,CrH17N4Cl2O3,-5.3165743889,-0.9012962634,0.0010276593,0.0004511688,GGA+U,P2_1/c,A2BC17D4E3_mP108_14_2e_e_17e_4e_3e:Cl-Cr-H-N-O,108.0,A2BC17D4E3_mP108_14_2e_e_17e_4e_3e:Cl-Cr-H-N-O +mp-2713444,Na2MgScP(SO6)2,-7.0201113581,-2.6188341729,0.0263677496,0.0263677496,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Mg-Na-O-P-S-Sc,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Mg-Na-O-P-S-Sc, expected Na2MgScPS3O20 to be Na2MgScP(SO6)2" +mp-2713711,Na3Mg2Sc2PS5O24,-6.9951155503,-2.5451383854,0.0128869398,0.0128869398,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Mg-Na-O-P-S-Sc,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Mg-Na-O-P-S-Sc +mp-2714375,NaSc2P(SO6)2,-7.6061438454,-2.7709254965,0.0,-0.0037967683,GGA,Cc,AB12CD2E2_mC216_9_3a_36a_3a_6a_6a:Na-O-P-S-Sc,108.0,"Invalid WP multiplicities - AB12CD2E2_mC216_9_3a_60a_3a_9a_6a:Na-O-P-S-Sc, expected NaSc2PS3O20 to be NaSc2P(SO6)2" +mp-2713990,Na3Mg2P(SO6)2,-6.5020771589,-2.4913470211,0.0365446688,0.0365446688,GGA,Cc,A2B3C12DE2_mC240_9_6a_9a_36a_3a_6a:Mg-Na-O-P-S,120.0,"Invalid WP multiplicities - A2B3C12DE2_mC240_9_6a_12a_60a_3a_9a:Mg-Na-O-P-S, expected Na4Mg2PS3O20 to be Na3Mg2P(SO6)2" +mp-2714963,Na4MgSc(PO4)3,-7.136163754,-2.9064960215,0.0,-0.0018941051,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Mg-Na-O-P-Sc,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Mg-Na-O-P-Sc, expected Na4MgSc(PO12)3 to be Na4MgSc(PO4)3" +mp-2714493,Na7Mg4P3(SO8)3,-6.5347793892,-2.5584724759,0.0374846876,0.0374846876,GGA,P1,A4B7C24D3E3_aP123_1_12a_21a_72a_9a_9a:Mg-Na-O-P-S,123.0,A4B7C24D3E3_aP123_1_12a_21a_72a_9a_9a:Mg-Na-O-P-S +mp-2714692,Na5Mg2Sc2P3(SO8)3,-7.0479270371,-2.6928523969,0.0342902802,0.0342902802,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Mg-Na-O-P-S-Sc,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Mg-Na-O-P-S-Sc +mp-2713295,Na2Sc2P2SO12,-7.6373178284,-2.9197752909,0.0142714421,0.0142714421,GGA,Cc,A2B12C2DE2_mC76_9_2a_12a_2a_a_2a:Na-O-P-S-Sc,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC76_9_2a_72a_12a_a_6a:Na-O-P-S-Sc, expected Na2Sc6P12SO72 to be Na2Sc2P2SO12" +mp-2712981,Na4Mg2P2SO12,-6.5734552579,-2.6299323679,0.0244812883,0.0244812883,GGA,Cc,A2B4C12D2E_mC84_9_2a_4a_12a_2a_a:Mg-Na-O-P-S,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC84_9_6a_14a_60a_7a_a:Mg-Na-O-P-S, expected Na14Mg6P7SO60 to be Na4Mg2P2SO12" +mp-2715998,Na7Mg2Sc2P5SO24,-7.1077749821,-2.8383440837,0.0217761608,0.0217761608,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-S-Sc,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-S-Sc +mp-2715082,Na5Sc4P5SO24,-7.6580243869,-2.9947937624,0.0121070369,0.0121070369,GGA,P1,A5B24C5DE4_aP117_1_15a_72a_15a_3a_12a:Na-O-P-S-Sc,117.0,A5B24C5DE4_aP117_1_15a_72a_15a_3a_12a:Na-O-P-S-Sc +mp-2713265,Na5Mg4PS5O24,-6.4645238478,-2.4176051919,0.0197803134,0.0197803134,GGA,P1,A4B5C24DE5_aP117_1_12a_15a_72a_3a_15a:Mg-Na-O-P-S,117.0,A4B5C24DE5_aP117_1_12a_15a_72a_3a_15a:Mg-Na-O-P-S +mp-2714259,NaSc4PS5O24,-7.5733806847,-2.6742811811,0.0041875397,0.0041875397,GGA,P1,AB24CD5E4_aP105_1_3a_72a_3a_15a_12a:Na-O-P-S-Sc,105.0,AB24CD5E4_aP105_1_3a_72a_3a_15a_12a:Na-O-P-S-Sc +mp-2713936,Na3Sc4P3(SO8)3,-7.6245189405,-2.849728711,0.0049617449,0.0049617449,GGA,P1,A3B24C3D3E4_aP111_1_9a_72a_9a_9a_12a:Na-O-P-S-Sc,111.0,A3B24C3D3E4_aP111_1_9a_72a_9a_9a_12a:Na-O-P-S-Sc +mp-2714246,Na7MgSc3(PO4)6,-7.3971451452,-2.9811522542,0.0080833481,0.0080833481,GGA,P1,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Mg-Na-O-P-Sc,123.0,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Mg-Na-O-P-Sc +mp-2712784,Na3MgScP2SO12,-7.0793258984,-2.7681436759,0.0338582502,0.0338582502,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Mg-Na-O-P-S-Sc,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Mg-Na-O-P-S-Sc, expected Na8MgScP7SO60 to be Na3MgScP2SO12" +mp-1228888,AlGaP2,-4.9060676525,-0.505998436,0.003810785,0.003810785,GGA,P-4m2,ABC2_tP4_115_a_c_g:Al-Ga-P,4.0,ABC2_tP4_115_a_c_g:Al-Ga-P +mp-1228998,Al2Ga(PO4)3,-7.7181845328,-2.9337723251,0.0116994517,0.0116994517,GGA,C2,A2BC12D3_mC36_5_c_a_6c_bc:Al-Ga-O-P,18.0,"Invalid WP multiplicities - A2BC12D3_mC36_5_c_a_12c_bc:Al-Ga-O-P, expected Al2Ga(PO8)3 to be Al2Ga(PO4)3" +mp-1228948,AlGa(PO4)2,-7.61598167,-2.851499457,0.0058838108,0.0058838108,GGA,C2,ABC8D2_mC24_5_a_b_4c_c:Al-Ga-O-P,12.0,"Invalid WP multiplicities - ABC8D2_mC24_5_a_b_6c_c:Al-Ga-O-P, expected AlGa(PO6)2 to be AlGa(PO4)2" +mp-2715504,Na3AlGa(PO4)3,-7.035597143,-2.7185261536,0.0294320373,0.0294320373,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-Ga-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-Ga-Na-O-P +mp-2715331,Na3AlGa(PO4)3,-7.0390647778,-2.7219937884,0.0259644024,0.0259644024,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-Ga-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-Ga-Na-O-P +mp-2715525,Na7Al2Ga2SiP5O24,-6.9668448233,-2.7225184722,0.0395298998,0.0395298998,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Ga-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Ga-Na-O-P-Si +mp-2714550,Na4AlGaSi(PO6)2,-6.9020858559,-2.7270401128,0.0484274794,0.0484274794,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-Ga-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-Ga-Na-O-P-Si +mp-2713246,Na10Mg4Zn4SiS11O48,-6.2219227311,-2.2086833429,0.0421674626,0.0421674626,GGA,P1,A4B10C48D11EF4_aP234_1_12a_30a_144a_33a_3a_12a:Mg-Na-O-S-Si-Zn,234.0,A4B10C48D11EF4_aP234_1_12a_30a_144a_33a_3a_12a:Mg-Na-O-S-Si-Zn +mp-2713829,Na6Mg2Zn2SiS5O24,-6.2042511391,-2.2421687512,0.0787925418,0.0787925418,GGA,P1,A2B6C24D5EF2_aP120_1_6a_18a_72a_15a_3a_6a:Mg-Na-O-S-Si-Zn,120.0,A2B6C24D5EF2_aP120_1_6a_18a_72a_15a_3a_6a:Mg-Na-O-S-Si-Zn +mp-2714652,Na2MgZn(SO4)3,-6.226664612,-2.1595757498,0.0174745427,0.0174745427,GGA,P1,AB2C12D3E_aP114_1_6a_12a_72a_18a_6a:Mg-Na-O-S-Zn,114.0,AB2C12D3E_aP114_1_6a_12a_72a_18a_6a:Mg-Na-O-S-Zn +mp-2713107,Na4MgZnSi(SO6)2,-6.1809720094,-2.3138954793,0.1055004844,0.1055004844,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Mg-Na-O-S-Si-Zn,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Mg-Na-O-S-Si-Zn +mp-2714554,Na14Mg4Zn4Si3(S3O16)3,-6.1840547346,-2.2706338837,0.1051744382,0.1051744382,GGA,P1,A4B14C48D9E3F4_aP246_1_12a_42a_144a_27a_9a_12a:Mg-Na-O-S-Si-Zn,246.0,A4B14C48D9E3F4_aP246_1_12a_42a_144a_27a_9a_12a:Mg-Na-O-S-Si-Zn +mp-1215926,Zr2P2SO12,-8.3534507338,-2.9758789294,0.0,-0.0389010403,GGA,Pc,A12B2CD2_mP68_7_24a_4a_2a_4a:O-P-S-Zr,68.0,"Invalid WP multiplicities - A12B2CD2_mP68_7_48a_7a_2a_8a:O-P-S-Zr, expected Zr8P7(SO24)2 to be Zr2P2SO12" +mp-2713522,Zr2P2SO12,-8.3530836175,-2.9755118131,0.0003671163,-0.038533924,GGA,Cc,A12B2CD2_mC68_9_12a_2a_a_2a:O-P-S-Zr,102.0,"Invalid WP multiplicities - A12B2CD2_mC68_9_60a_7a_a_6a:O-P-S-Zr, expected Zr6P7SO60 to be Zr2P2SO12" +mp-2713081,LaZrP(SO6)2,-7.8715237773,-2.7815135119,0.0350770657,0.0350770657,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:La-O-P-S-Zr,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:La-O-P-S-Zr, expected LaZrPS3O20 to be LaZrP(SO6)2" +mp-2715580,NaLa2P(SO6)2,-7.4908551044,-2.8107992001,0.0534865677,0.0534865677,GGA,Cc,A2BC12DE2_mC216_9_6a_3a_36a_3a_6a:La-Na-O-P-S,108.0,"Invalid WP multiplicities - A2BC12DE2_mC216_9_6a_3a_60a_3a_9a:La-Na-O-P-S, expected NaLa2PS3O20 to be NaLa2P(SO6)2" +mp-640915,Na2LaPS2O7,-6.7349842965,-2.4354396111,0.189851806,0.189851806,GGA,P2_1/c,AB2C7DE2_mP52_14_e_abe_7e_e_2e:La-Na-O-P-S,52.0,"Invalid WP multiplicities - AB2C7DE2_mP52_14_e_2a2b3e_26e_e_7e:La-Na-O-P-S, expected Na5LaPS7O26 to be Na2LaPS2O7" +mp-2714253,NaLa4PS5O24,-7.4696347832,-2.7301309368,0.0336199678,0.0336199678,GGA,P1,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:La-Na-O-P-S,105.0,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:La-Na-O-P-S +mp-2714014,Na3La4P3(SO8)3,-7.4991152244,-2.8752938598,0.0731001398,0.0731001398,GGA,P1,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:La-Na-O-P-S,111.0,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:La-Na-O-P-S +mp-2716050,Na3La2Zr2P5SO24,-7.9222723729,-3.0342052696,0.0625935803,0.0625935803,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Zr +mp-2712656,NaLaZrP2SO12,-7.8782081429,-2.9265663404,0.0902466346,0.0902466346,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:La-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:La-Na-O-P-S-Zr, expected NaLaZrP7SO60 to be NaLaZrP2SO12" +mp-2716121,NaZr4P5SO24,-8.3688387451,-3.0706439085,0.0047293796,0.0047293796,GGA,P1,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Zr,105.0,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Zr +mp-2716403,NaLa2Zr2P3(SO8)3,-7.8886758325,-2.8698264909,0.0508095411,0.0508095411,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Zr,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Zr +mp-2713716,Na2La2P2SO12,-7.5182928444,-2.9477463069,0.0803291754,0.0803291754,GGA,Cc,A2B2C12D2E_mC76_9_2a_2a_12a_2a_a:La-Na-O-P-S,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC76_9_6a_2a_72a_12a_a:La-Na-O-P-S, expected Na2La6P12SO72 to be Na2La2P2SO12" +mp-2713933,Na3In4P3(SO8)3,-6.6402365491,-2.252558252,0.0213753143,0.0213753143,GGA,P1,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:In-Na-O-P-S,111.0,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:In-Na-O-P-S +mp-2714075,NaIn4PS5O24,-6.5227953864,-2.0329284971,0.0167041175,0.0167041175,GGA,P1,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:In-Na-O-P-S,105.0,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:In-Na-O-P-S +mp-2714356,NaIn2P(SO6)2,-6.5978613628,-2.1605080556,0.0043903258,0.0043903258,GGA,Cc,A2BC12DE2_mC216_9_6a_3a_36a_3a_6a:In-Na-O-P-S,108.0,"Invalid WP multiplicities - A2BC12DE2_mC216_9_6a_3a_60a_3a_9a:In-Na-O-P-S, expected NaIn2PS3O20 to be NaIn2P(SO6)2" +mp-2715099,Na5In4P5SO24,-6.737231325,-2.441260739,0.0239478287,0.0239478287,GGA,P1,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:In-Na-O-P-S,117.0,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:In-Na-O-P-S +mp-2713294,Na2In2P2SO12,-6.6898652613,-2.3492475002,0.0279825571,0.0279825571,GGA,Cc,A2B2C12D2E_mC76_9_2a_2a_12a_2a_a:In-Na-O-P-S,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC76_9_6a_2a_72a_12a_a:In-Na-O-P-S, expected Na2In6P12SO72 to be Na2In2P2SO12" +mp-2715962,Na7Mg2In2P5SO24,-6.6711915397,-2.5764330986,0.0264559216,0.0264559216,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:In-Mg-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:In-Mg-Na-O-P-S +mp-2714802,Na5Mg2In2P3(SO8)3,-6.5848577946,-2.4134131736,0.0426010232,0.0426010232,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:In-Mg-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:In-Mg-Na-O-P-S +mp-2712779,Na3Mg2In2PS5O24,-6.5040239216,-2.2476027229,0.015964585,0.015964585,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:In-Mg-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:In-Mg-Na-O-P-S +mp-2714040,Na7MgIn3(PO4)6,-6.7447581053,-2.5907739003,0.0152229785,0.0152229785,GGA,P1,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:In-Mg-Na-O-P,123.0,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:In-Mg-Na-O-P +mp-2715205,Na4MgIn(PO4)3,-6.7104716738,-2.6513175305,0.0091638495,0.0091638495,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:In-Mg-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:In-Mg-Na-O-P, expected Na4MgIn(PO12)3 to be Na4MgIn(PO4)3" +mp-2712790,Na3MgInP2SO12,-6.6275490158,-2.4954060621,0.0429338592,0.0429338592,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:In-Mg-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:In-Mg-Na-O-P-S, expected Na8MgInP7SO60 to be Na3MgInP2SO12" +mp-2713129,Na2MgInP(SO6)2,-6.5419257156,-2.3291109187,0.0339934286,0.0339934286,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:In-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:In-Mg-Na-O-P-S, expected Na2MgInPS3O20 to be Na2MgInP(SO6)2" +mp-989179,Mo4HS8,-6.9317656473,-0.7881559996,0.3209721531,0.3209721531,GGA,Pmm2,AB4C8_oP26_25_e_2a2b2c2d_4e4f:H-Mo-S,26.0,"Invalid WP multiplicities - AB4C8_oP26_25_e_2a2b2c2d_7e8f:H-Mo-S, expected Mo4HS15 to be Mo4HS8" +mp-990086,Mo9HS18,-7.2709713564,-1.004554405,0.1540883973,0.1540883973,GGA,Pmm2,AB9C18_oP56_25_e_4a5b5c4d_9e9f:H-Mo-S,56.0,"Invalid WP multiplicities - AB9C18_oP56_25_e_4a5b5c4d_18e18f:H-Mo-S, expected Mo9HS36 to be Mo9HS18" +mp-1103149,AgMoH4S4N,-5.3196888209,-0.5804702131,0.0403609861,0.0403609861,GGA,I-4,AB4CDE4_tI22_82_a_g_b_c_g:Ag-H-Mo-N-S,11.0,AB4CDE4_tI22_82_a_g_b_c_g:Ag-H-Mo-N-S +mp-2218118,MgAgMoH4S4N,-5.0259957283,-0.5483553337,0.241980399,0.241980399,GGA,I-4,AB4CDEF4_tI24_82_a_g_c_b_d_g:Ag-H-Mg-Mo-N-S,12.0,AB4CDEF4_tI24_82_a_g_c_b_d_g:Ag-H-Mg-Mo-N-S +mp-1199487,MoH8(S2N)2,-5.3239617167,-0.5768785308000001,0.0,-0.0008757281,GGA,Pnma,A8BC2D4_oP60_62_4c2d_c_2c_2cd:H-Mo-N-S,60.0,A8BC2D4_oP60_62_4c2d_c_2c_2cd:H-Mo-N-S +mp-541918,Na2Te4MoO12,-6.2389022511,-1.7428923139,0.0,-0.0040484474,GGA+U,C2/c,AB2C12D4_mC76_15_e_f_6f_2f:Mo-Na-O-Te,38.0,AB2C12D4_mC76_15_e_f_6f_2f:Mo-Na-O-Te +mp-744242,Na4TeMo6H40(NO20)2,-5.5322777171,-0.9757520415,0.5289833375,0.5289833375,GGA+U,P-1,A40B6C2D4E40F_aP93_2_20i_3i_i_2i_20i_a:H-Mo-N-Na-O-Te,93.0,A40B6C2D4E40F_aP93_2_20i_3i_i_2i_20i_a:H-Mo-N-Na-O-Te +mp-1182759,Na4TeMo6H40(NO20)2,-6.0229009805,-1.466375305,0.0383600741,0.0383600741,GGA+U,P-1,A40B6C2D4E40F_aP93_2_20i_3i_i_2i_20i_a:H-Mo-N-Na-O-Te,93.0,A40B6C2D4E40F_aP93_2_20i_3i_i_2i_20i_a:H-Mo-N-Na-O-Te +mp-1200032,Na6TeMo6(H22O23)2,-5.9240657128,-1.5262017807,0.0242254813,0.0242254813,GGA+U,P-1,A44B6C6D46E_aP103_2_22i_3i_3i_23i_a:H-Mo-Na-O-Te,103.0,A44B6C6D46E_aP103_2_22i_3i_3i_23i_a:H-Mo-Na-O-Te +mp-1247042,TeMoN,-7.6183184317,-0.1765014556,0.2874730873,0.2874730873,GGA,P4/nmm,ABC_tP6_129_c_a_c:Mo-N-Te,6.0,ABC_tP6_129_c_a_c:Mo-N-Te +mp-1245607,Na6TeN4,-4.0439198459,-0.0053346319,0.4665368589,0.4665368589,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-Te,22.0,A4B6C_tP22_137_g_df_a:N-Na-Te +mp-1247278,Te3(Mo2N)2,-7.8696493519,-0.1490373553,0.3790530964,0.3790530964,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:Mo-N-Te,36.0,A4B2C3_oP36_62_2cd_d_cd:Mo-N-Te +mp-553969,Na2Te3Mo3O16,-6.9922358042,-1.8356133885,0.0131857128,0.0131857128,GGA+U,C2,A3B2C16D3_mC48_5_ac_ab_8c_bc:Mo-Na-O-Te,24.0,"Invalid WP multiplicities - A3B2C16D3_mC48_5_ac_ab_14c_bc:Mo-Na-O-Te, expected Na2Te3Mo3O28 to be Na2Te3Mo3O16" +mp-818265,TeMo3(NO6)2,-7.1444045631,-0.9380984181,0.6524125918,0.6524125918,GGA+U,P6_3,A3B2C12D_hP36_173_c_2b_4c_a:Mo-N-O-Te,36.0,A3B2C12D_hP36_173_c_2b_4c_a:Mo-N-O-Te +mp-1199748,TeMo6(NO6)4,-6.967630652,-0.6738102142,0.8926923551,0.8926923551,GGA+U,C2/c,A6B4C24D_mC140_15_3f_2f_12f_e:Mo-N-O-Te,70.0,A6B4C24D_mC140_15_3f_2f_12f_e:Mo-N-O-Te +mp-976892,Na(TeMo)3,-6.5913625743,-0.4071635309,0.1308433339,0.1308433339,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Na-Te,14.0,A3BC3_hP14_176_h_c_h:Mo-Na-Te +mp-1103603,Na(TeMo)3,-6.5541419793,-0.3699429359,0.1680639289,0.1680639289,GGA,P6_3/m,A3BC3_hP14_176_h_c_h:Mo-Na-Te,14.0,A3BC3_hP14_176_h_c_h:Mo-Na-Te +mp-1202441,Cr2Ni2H64N13Cl11O12,-5.1081940403,-0.9152186845,0.0300226408,0.0300226408,GGA+U,Fd-3,A11B2C64D13E2F12_cF832_203_aef_c_e5g_bg_d_g:Cl-Cr-H-N-Ni-O,208.0,A11B2C64D13E2F12_cF832_203_aef_c_e5g_bg_d_g:Cl-Cr-H-N-Ni-O +mp-1220093,NiH6(NCl)2,-4.8975104482,-0.6696417100000001,0.0305023426,0.0305023426,GGA,C2,A2B6C2D_mC22_5_2a_3c_c_b:Cl-H-N-Ni,11.0,"Invalid WP multiplicities - A2B6C2D_mC22_5_2a_5c_c_b:Cl-H-N-Ni, expected NiH10(NCl)2 to be NiH6(NCl)2" +mp-1245694,Cr2Ni3N4,-7.9093971339,-0.1324543917,0.2013810467,0.2013810467,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Cr-N-Ni,18.0,A2B4C3_mC36_15_f_2f_ef:Cr-N-Ni +mp-1245402,Cr(NiN)3,-7.3690300786,0.0599616764,0.2915967493,0.2915967493,GGA,P6_3/m,AB3C3_hP14_176_c_h_h:Cr-N-Ni,14.0,AB3C3_hP14_176_c_h_h:Cr-N-Ni +mp-1246927,Cr2NiN2,-8.7532879375,-0.4014436435,0.1517857305,0.1517857305,GGA,Pnma,A2B2C_oP20_62_2c_2c_c:Cr-N-Ni,20.0,A2B2C_oP20_62_2c_2c_c:Cr-N-Ni +mp-1182658,Cr2NiH20(NO7)2,-5.059123201,-0.4727800131,0.8849384506,0.8849384506,GGA+U,P2_1/c,A2B20C2DE14_mP78_14_e_10e_e_a_7e:Cr-H-N-Ni-O,78.0,A2B20C2DE14_mP78_14_e_10e_e_a_7e:Cr-H-N-Ni-O +mp-1204049,Cr2NiH20(NO7)2,-5.7988761518,-1.2125329639,0.1451854998,0.1451854998,GGA+U,P2_1/c,A2B20C2DE14_mP78_14_e_10e_e_a_7e:Cr-H-N-Ni-O,78.0,A2B20C2DE14_mP78_14_e_10e_e_a_7e:Cr-H-N-Ni-O +mp-1245595,CrNiN2,-8.128085865,-0.101542365,0.2640903333,0.2640903333,GGA,Cmcm,AB2C_oC16_63_c_f_a:Cr-N-Ni,8.0,AB2C_oC16_63_c_f_a:Cr-N-Ni +mp-1246517,CrNi2N3,-7.863913875,-0.1601129408,0.0968850844,0.0968850844,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Cr-N-Ni,12.0,AB3C2_oC24_36_a_ab_b:Cr-N-Ni +mp-2715619,Na8Al2Si5Ge2SO24,-6.8675757048,-2.6461238285,0.0924508703,0.0924508703,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Al-Ge-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Al-Ge-Na-O-S-Si +mp-2713318,Na4Al2Si3Ge2(SO8)3,-6.895559074,-2.4367921976,0.133172137,0.133172137,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Al-Ge-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Al-Ge-Na-O-S-Si +mp-2712925,Al2SiGe2S5O24,-6.9017321483,-2.1498114482,0.0446376927,0.0446376927,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Al-Ge-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Al-Ge-O-S-Si +mp-2715195,Na14Al4Si9Ge4(SO16)3,-6.8730344883,-2.59659499,0.1205218597,0.1205218597,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Al-Ge-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Al-Ge-Na-O-S-Si +mp-2714904,Na3AlSi3Ge3(SO8)3,-6.8979991114,-2.3307540293,0.1366386549,0.1366386549,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Ge-Na-O-S-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Ge-Na-O-S-Si +mp-2715944,Na6Al4Si5Ge4S7O48,-6.9008140874,-2.3747010623,0.1270976054,0.1270976054,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Al-Ge-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Al-Ge-Na-O-S-Si +mp-2716388,Na2Al4Si3Ge4(S3O16)3,-6.900319172,-2.2279687954,0.1030186514,0.1030186514,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Al-Ge-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Al-Ge-Na-O-S-Si +mp-2713525,Na5Al3Si3Ge(SO8)3,-6.8898407497,-2.533989094,0.1318655465,0.1318655465,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Al-Ge-Na-O-S-Si,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Al-Ge-Na-O-S-Si +mp-2714333,Na3AlSi2GeSO12,-6.8775178708,-2.5433413694,0.1415886693,0.1415886693,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Al-Ge-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Al-Ge-Na-O-S-Si, expected Na13AlSi7GeSO72 to be Na3AlSi2GeSO12" +mp-2712595,NaAlSiGe(SO6)2,-6.918611308,-2.3214106815,0.108435338,0.108435338,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Al-Ge-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Al-Ge-Na-O-S-Si, expected NaAlSiGeS3O20 to be NaAlSiGe(SO6)2" +mp-2715922,Na10Al4Si7Ge4S5O48,-6.8799695681,-2.4850951917,0.1495391344,0.1495391344,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Al-Ge-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Al-Ge-Na-O-S-Si +mp-2713448,Sn2P2SO12,-7.1032916453,-2.2596173438,0.0007413224,0.0007413224,GGA,Cc,A12B2CD2_mC68_9_12a_2a_a_2a:O-P-S-Sn,102.0,"Invalid WP multiplicities - A12B2CD2_mC68_9_60a_7a_a_6a:O-P-S-Sn, expected Sn6P7SO60 to be Sn2P2SO12" +mp-2716260,NaSn4P5SO24,-7.173375513,-2.3938239648,0.006790185,0.006790185,GGA,P1,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Sn,105.0,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Sn +mp-2715982,Na3In2Sn2P5SO24,-6.9499404797,-2.4252491684,0.0270113901,0.0270113901,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Sn +mp-2712894,InSnP(SO6)2,-6.7560996308,-2.0615277272,0.0324448601,0.0324448601,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:In-O-P-S-Sn,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:In-O-P-S-Sn, expected InSnPS3O20 to be InSnP(SO6)2" +mp-2712772,NaInSnP2SO12,-6.8985780254,-2.3204057868,0.0277731144,0.0277731144,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:In-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:In-Na-O-P-S-Sn, expected NaInSnP7SO60 to be NaInSnP2SO12" +mp-2716352,NaIn2Sn2P3(SO8)3,-6.828917899,-2.1942086803,0.0439410403,0.0439410403,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Sn,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Sn +mp-560879,CS2(NCl)3,-5.4602999333,-0.1206710465,0.2450255486,0.2450255486,GGA,P-1,AB3C3D2_aP36_2_2i_6i_6i_4i:C-Cl-N-S,36.0,"Invalid WP multiplicities - AB3C3D2_aP36_2_3i_10i_11i_8i:C-Cl-N-S, expected C3S8N11Cl10 to be CS2(NCl)3" +mp-559303,MoS3(NCl4)2,-4.609456083,-0.7011501658,0.0750992541,0.0750992541,GGA,P2_1/c,A8BC2D3_mP56_14_8e_e_2e_3e:Cl-Mo-N-S,56.0,"Invalid WP multiplicities - A8BC2D3_mP56_14_29e_e_4e_9e:Cl-Mo-N-S, expected MoS9N4Cl29 to be MoS3(NCl4)2" +mp-1214223,C2S2NCl3,-5.2847795072,-0.2082375542,0.2115957019,0.2115957019,GGA,P2_12_12_1,A2B3CD2_oP32_19_2a_3a_a_2a:C-Cl-N-S,32.0,A2B3CD2_oP32_19_2a_3a_a_2a:C-Cl-N-S +mp-653586,CuS4(N2Cl)2,-5.2248308777,0.0195381366,0.3099114005,0.3099114005,GGA,Pnma,A2BC4D4_oP44_62_2c_a_2d_2cd:Cl-Cu-N-S,44.0,"Invalid WP multiplicities - A2BC4D4_oP44_62_6c_a_8d_7c4d:Cl-Cu-N-S, expected CuS15(N8Cl3)2 to be CuS4(N2Cl)2" +mp-558545,C2S(NCl)3,-6.1045361064,-0.1991054834,0.1306572018,0.1306572018,GGA,P2_1/c,A2B3C3D_mP36_14_2e_3e_3e_e:C-Cl-N-S,36.0,"Invalid WP multiplicities - A2B3C3D_mP36_14_6e_8e_8e_e:C-Cl-N-S, expected C6S(NCl)8 to be C2S(NCl)3" +mp-722472,C6S3(N3Cl)2,-6.7482090879,0.3986959371,0.583030927,0.583030927,GGA,P2_1/c,A6B2C6D3_mP68_14_6e_2e_6e_3e:C-Cl-N-S,68.0,A6B2C6D3_mP68_14_6e_2e_6e_3e:C-Cl-N-S +mp-1197329,MoC8N4Cl7,-5.897549674,0.6504858445,1.1351143271,1.1351143271,GGA,P2_12_12,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Mo-N,40.0,A8B7CD4_oP40_18_4c_a3c_b_2c:C-Cl-Mo-N +mp-558295,CS3N5Cl,-6.2391488263,0.2777538116,0.494375791,0.494375791,GGA,P2_1/c,ABC5D3_mP40_14_e_e_5e_3e:C-Cl-N-S,40.0,"Invalid WP multiplicities - ABC5D3_mP40_14_e_e_18e_9e:C-Cl-N-S, expected CS9N18Cl to be CS3N5Cl" +mp-558183,MoS2N2Cl5,-5.2058761225,-0.7024538231,0.1383002747,0.1383002747,GGA,P-1,A5BC2D2_aP20_2_5i_i_2i_2i:Cl-Mo-N-S,20.0,"Invalid WP multiplicities - A5BC2D2_aP20_2_10i_i_4i_2i:Cl-Mo-N-S, expected MoS2(N2Cl5)2 to be MoS2N2Cl5" +mp-1189777,CuC8S4N4Cl,-6.4913123194,0.7125124826,0.8983745585,0.8983745585,GGA,I-4,A8BCD4E4_tI36_82_2g_a_c_g_g:C-Cl-Cu-N-S,18.0,A8BCD4E4_tI36_82_2g_a_c_g_g:C-Cl-Cu-N-S +mp-1205281,Cu6MoC20S4N5Cl9,-5.4607831519,1.0920902706,1.4821083776,1.4821083776,GGA,Cmc2_1,A20B9C6DE5F4_oC180_36_2a9b_3a3b_2a2b_a_a2b_2ab:C-Cl-Cu-Mo-N-S,90.0,"Invalid WP multiplicities - A20B9C6DE5F4_oC180_36_4a29b_6a7b_4a5b_a_2a3b_3a3b:C-Cl-Cu-Mo-N-S, expected Cu14MoC62S9(N2Cl5)4 to be Cu6MoC20S4N5Cl9" +mp-1078111,CuMoS4N,-5.3709585729,0.3186344518,1.019018625,1.019018625,GGA,I-4,ABCD4_tI14_82_a_b_c_g:Cu-Mo-N-S,7.0,ABCD4_tI14_82_a_b_c_g:Cu-Mo-N-S +mp-559889,CSNCl,-5.8437623,0.0437744361,0.3712071399,0.3712071399,GGA,P2_1/c,ABCD_mP32_14_2e_2e_2e_2e:C-Cl-N-S,32.0,"Invalid WP multiplicities - ABCD_mP32_14_6e_4e_5e_3e:C-Cl-N-S, expected C6S3N5Cl4 to be CSNCl" +mp-2715080,Na5Mg2Sn2P5SO24,-6.8658171537,-2.5643858268,0.0368870584,0.0368870584,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Sn +mp-2713330,Na2MgSnP2SO12,-6.8203291545,-2.4741069488000003,0.0554747189,0.0554747189,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Mg-Na-O-P-S-Sn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Mg-Na-O-P-S-Sn, expected Na2MgSnP7SO60 to be Na2MgSnP2SO12" +mp-2713830,Na3Mg2Sn2P3(SO8)3,-6.7971518501,-2.4037176371,0.030511295,0.030511295,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Sn,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Sn +mp-2712574,Na3Mg3SnPS5O24,-6.5750391138,-2.3157399571,0.0168341099,0.0168341099,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Sn,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Sn +mp-2713187,Na4Mg3SnP2(SO6)4,-6.6138860325,-2.3982690133,0.0375797393,0.0375797393,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Sn,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Sn +mp-2714330,NaMgSnP(SO6)2,-6.7380821209,-2.2948130113,0.0276891871,0.0276891871,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Mg-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Mg-Na-O-P-S-Sn, expected NaMgSnPS3O20 to be NaMgSnP(SO6)2" +mp-2716444,NaMgSn3P3(SO8)3,-6.9140408048,-2.2762891734,0.0237424555,0.0237424555,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Sn,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Sn +mp-2714166,NaMg2Sn2PS5O24,-6.6745868311,-2.1786351164,0.0152542185,0.0152542185,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Sn,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Sn +mp-2712965,MgSn3P2(SO6)4,-6.8424679189,-2.1447641199,0.0129104318,0.0129104318,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Sn,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Sn +mp-2712617,Na6Mg3SnP4(SO12)2,-6.6954677875,-2.5606627226,0.0387651438,0.0387651438,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Sn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Sn +mp-2715891,Na3MgSn3P5SO24,-7.0249357718,-2.4973665025000003,0.0331286668,0.0331286668,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Sn,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Sn +mp-2714297,Na2MgSn3P4(SO12)2,-6.9790849024,-2.3979547626,0.029026047,0.029026047,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Sn,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Sn +mp-2714856,Na5Mg3SnP3(SO8)3,-6.655155285,-2.4809802937,0.0477347188,0.0477347188,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Sn +mp-2715841,Na7Mg3SnP5SO24,-6.7350975115,-2.6377418889,0.02554448,0.02554448,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Sn,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Sn +mp-8678,NaAlPO4F,-7.1093450794,-3.086890399,0.0020706571,0.0020706571,GGA,C2/c,ABCD4E_mC32_15_a_e_e_2f_e:Al-F-Na-O-P,16.0,"Invalid WP multiplicities - ABCD4E_mC32_15_c_e_e_3f_e:Al-F-Na-O-P, expected NaAlPO6F to be NaAlPO4F" +mp-1199626,Sr3Al2P(O2F5)2,-6.5320083079,-3.6882843555,0.0345860567,0.0345860567,GGA,P2_1/c,A2B10C4DE3_mP80_14_2e_10e_4e_e_3e:Al-F-O-P-Sr,80.0,A2B10C4DE3_mP80_14_2e_10e_4e_e_3e:Al-F-O-P-Sr +mp-653569,Al2P2O11F,-6.6448392891,-1.9796635725,0.4837212765,0.4837212765,GGA,P2_12_12_1,A2BC11D2_oP64_19_2a_a_11a_2a:Al-F-O-P,64.0,"Invalid WP multiplicities - A2BC11D2_oP64_19_7a_a_40a_6a:Al-F-O-P, expected Al7P6O40F to be Al2P2O11F" +mp-558954,Na2Sr2Al2PO4F9,-6.4034618306,-3.60753397,0.0,-0.0084170671,GGA,P2_1/c,A2B9C2D4EF2_mP80_14_ace_9e_2e_4e_e_2e:Al-F-Na-O-P-Sr,80.0,"Invalid WP multiplicities - A2B9C2D4EF2_mP80_14_2ac3e_32e_6e_13e_e_3e:Al-F-Na-O-P-Sr, expected Na12Sr6Al9P2(O13F32)2 to be Na2Sr2Al2PO4F9" +mp-676467,Na3Al2P2O8F3,-6.8258907608,-3.070708586,0.0073565572,0.0067835275,GGA,Pm,A2B3C3D8E2_mP36_6_2c_ab2c_3a3b_8c_2c:Al-F-Na-O-P,36.0,"Invalid WP multiplicities - A2B3C3D8E2_mP36_6_3c_ab3c_3a3b_14c_3c:Al-F-Na-O-P, expected Na3Al3P3(O7F2)2 to be Na3Al2P2O8F3" +mp-686540,Na3Al2P2O8F3,-6.8332473181,-3.0780651433,0.0,-0.0005730297,GGA,Cmc2_1,A2B3C3D8E2_oC72_36_b_ab_3a_4b_b:Al-F-Na-O-P,36.0,"Invalid WP multiplicities - A2B3C3D8E2_oC72_36_b_2a2b_6a_16b_b:Al-F-Na-O-P, expected Na3AlPO16F3 to be Na3Al2P2O8F3" +mp-555488,Na5AlP2(O4F)2,-6.4399575224,-2.8521089149,0.0,-0.0208170068,GGA,P-3,AB2C5D8E2_hP54_147_e_g_ab2dfg_4g_g:Al-F-Na-O-P,54.0,"Invalid WP multiplicities - AB2C5D8E2_hP54_147_e_g_ab4d3f2g_22g_g:Al-F-Na-O-P, expected Na31Al3P6(O22F)6 to be Na5AlP2(O4F)2" +mp-41095,Na3Sr3AlP4,-3.9565101186,-0.826069928,0.0,-0.0267070779,GGA,P6_3mc,AB3C4D3_hP22_186_b_c_bc_c:Al-Na-P-Sr,22.0,"Invalid WP multiplicities - AB3C4D3_hP22_186_b_c_2b2c_c:Al-Na-P-Sr, expected Na3Sr3AlP8 to be Na3Sr3AlP4" +mp-620652,NaSr2AlP3,-4.4097515996,-0.8830379496,0.0,-0.006125134,GGA,C2/m,ABC3D2_mC56_12_2i_gi_4ij_efj:Al-Na-P-Sr,28.0,"Invalid WP multiplicities - ABC3D2_mC56_12_3i_2gi_7i4j_2ef2j:Al-Na-P-Sr, expected Na3Sr7(AlP5)3 to be NaSr2AlP3" +mp-9512,SrAl2P2(O4F)2,-7.5627705517,-3.3358560349,0.007974691,0.007974691,GGA,P2_12_12_1,A2B2C8D2E_oP60_19_2a_2a_8a_2a_a:Al-F-O-P-Sr,60.0,"Invalid WP multiplicities - A2B2C8D2E_oP60_19_3a_2a_12a_3a_a:Al-F-O-P-Sr, expected SrAl3P3(O6F)2 to be SrAl2P2(O4F)2" +mp-30979,GaPS4,-4.9156100717,-0.7510770722,0.0,-0.0463698446,GGA,P2_1/c,ABC4_mP24_14_e_e_4e:Ga-P-S,24.0,ABC4_mP24_14_e_e_4e:Ga-P-S +mp-2712792,NaHfGaP2SO12,-7.6295078682,-2.7055562148,0.0329572313,0.0329572313,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Ga-Hf-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Ga-Hf-Na-O-P-S, expected NaHfGaP7SO60 to be NaHfGaP2SO12" +mp-676038,Ga5(PS)3,-4.6351593545,-0.6542741515,0.0075869032,0.0075869032,GGA,Pmm2,A5B3C3_oP11_25_aef_be_cf:Ga-P-S,11.0,"Invalid WP multiplicities - A5B3C3_oP11_25_aef_b2e_c2f:Ga-P-S, expected GaPS to be Ga5(PS)3" +mp-2713917,Na3Ga4P3(SO8)3,-6.7068124883,-2.2892517812,0.0524556014,0.0524556014,GGA,P1,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:Ga-Na-O-P-S,111.0,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:Ga-Na-O-P-S +mp-2713575,Na2Ga2P2SO12,-6.7496746435,-2.3799608516,0.0725651981,0.0725651981,GGA,Cc,A2B2C12D2E_mC76_9_2a_2a_12a_2a_a:Ga-Na-O-P-S,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC76_9_6a_2a_72a_12a_a:Ga-Na-O-P-S, expected Na2Ga6P12SO72 to be Na2Ga2P2SO12" +mp-2716217,NaHf4P5SO24,-8.6122227775,-3.1529435523,0.004670492,0.004670492,GGA,P1,A4BC24D5E_aP105_1_12a_3a_72a_15a_3a:Hf-Na-O-P-S,105.0,A4BC24D5E_aP105_1_12a_3a_72a_15a_3a:Hf-Na-O-P-S +mp-2716416,NaHf2Ga2P3(SO8)3,-7.5909475141,-2.6005794687,0.0285737861,0.0285737861,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ga-Hf-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ga-Hf-Na-O-P-S +mp-2713179,Hf2P2SO12,-8.600757834,-3.0573638649,0.0,-0.0866582783,GGA,Cc,A2B12C2D_mC68_9_2a_12a_2a_a:Hf-O-P-S,102.0,"Invalid WP multiplicities - A2B12C2D_mC68_9_6a_60a_7a_a:Hf-O-P-S, expected Hf6P7SO60 to be Hf2P2SO12" +mp-2714124,NaGa4PS5O24,-6.5817554650000005,-2.0602985994,0.0294866919,0.0294866919,GGA,P1,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:Ga-Na-O-P-S,105.0,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:Ga-Na-O-P-S +mp-2715010,Na5Ga4P5SO24,-6.7980993885,-2.4737788237,0.0489384182,0.0489384182,GGA,P1,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:Ga-Na-O-P-S,117.0,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:Ga-Na-O-P-S +mp-2712869,HfGaP(SO6)2,-7.541245909,-2.480554625,0.0215775127,0.0215775127,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Ga-Hf-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Ga-Hf-O-P-S, expected HfGaPS3O20 to be HfGaP(SO6)2" +mp-2715562,NaGa2P(SO6)2,-6.6584468306,-2.1903810465,0.0343510767,0.0343510767,GGA,Cc,A2BC12DE2_mC216_9_6a_3a_36a_3a_6a:Ga-Na-O-P-S,108.0,"Invalid WP multiplicities - A2BC12DE2_mC216_9_6a_3a_60a_3a_9a:Ga-Na-O-P-S, expected NaGa2PS3O20 to be NaGa2P(SO6)2" +mp-2716021,Na3Hf2Ga2P5SO24,-7.6571600296,-2.796034693,0.045568031,0.045568031,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ga-Hf-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ga-Hf-Na-O-P-S +mp-1220733,NaYTiNbO6F,-8.5829008182,-3.3667731183000003,0.0598858355,0.0598858355,GGA,Imma,ABCD6EF_oI44_74_e_a_c_2ej_b_d:F-Na-Nb-O-Ti-Y,22.0,"Invalid WP multiplicities - ABCD6EF_oI44_74_e_a_c_4e2j_b_d:F-Na-Nb-O-Ti-Y, expected NaYTiNbO12F to be NaYTiNbO6F" +mp-42599,NaYTiNbO6F,-8.5891727175,-3.3730450176,0.0536139361,0.0536139361,GGA,P4_122,ABCD6EF_tP44_91_c_a_a_2c2d_b_b:F-Na-Nb-O-Ti-Y,44.0,"Invalid WP multiplicities - ABCD6EF_tP44_91_c_a_a_6c10d_b_b:F-Na-Nb-O-Ti-Y, expected NaYTiNbO26F to be NaYTiNbO6F" +mp-1201403,ZnH13RuN5(Cl2O)2,-5.2139138404,-0.844314478,0.0182838399,0.0182838399,GGA,Cmc2_1,A4B13C5D2EF_oC104_36_2ab_a6b_a2b_2a_a_a:Cl-H-N-O-Ru-Zn,52.0,A4B13C5D2EF_oC104_36_2ab_a6b_a2b_2a_a_a:Cl-H-N-O-Ru-Zn +mp-553901,H6RuN3Cl3O,-5.4406426938,-0.7883182454000001,0.0090181102,0.0090181102,GGA,P2_1/c,A3B6C3DE_mP56_14_3e_6e_3e_e_e:Cl-H-N-O-Ru,56.0,"Invalid WP multiplicities - A3B6C3DE_mP56_14_5e_22e_11e_e_e:Cl-H-N-O-Ru, expected H22RuN11Cl5O to be H6RuN3Cl3O" +mp-1212914,H8RuN3Cl5O,-5.0622834474,-0.8614463537,0.0,-0.0158911005,GGA,P2_12_12_1,A5B8C3DE_oP72_19_5a_8a_3a_a_a:Cl-H-N-O-Ru,72.0,A5B8C3DE_oP72_19_5a_8a_3a_a_a:Cl-H-N-O-Ru +mp-1213647,HRuN6Cl3O,-5.6244777371,0.4737219984,1.0193066374,1.0193066374,GGA,Pna2_1,A3BC6DE_oP48_33_3a_a_6a_a_a:Cl-H-N-O-Ru,48.0,A3BC6DE_oP48_33_3a_a_6a_a_a:Cl-H-N-O-Ru +mp-720397,H18RuN5(ClO)2,-5.1268633426,-0.6405634598000001,0.083083423,0.083083423,GGA,P2_1/c,A2B18C5D2E_mP112_14_2e_18e_5e_2e_e:Cl-H-N-O-Ru,112.0,A2B18C5D2E_mP112_14_2e_18e_5e_2e_e:Cl-H-N-O-Ru +mp-723044,ZnH12N3Cl5,-4.5185954671,-0.8888514564000001,0.0,-0.0126744571,GGA,Pnma,A5B12C3D_oP84_62_3cd_2c5d_cd_c:Cl-H-N-Zn,84.0,A5B12C3D_oP84_62_3cd_2c5d_cd_c:Cl-H-N-Zn +mp-1212573,H17RuN6ClO3,-5.4482263005,-0.6747149559000001,0.0431941134,0.0431941134,GGA,Cmc2_1,AB17C6D3E_oC112_36_a_a8b_2a2b_ab_a:Cl-H-N-O-Ru,56.0,AB17C6D3E_oC112_36_a_a8b_2a2b_ab_a:Cl-H-N-O-Ru +mp-23998,ZnH12N4(ClO4)2,-5.0232105989,-0.6310247152,0.4759841944,0.4759841944,GGA,F-43m,A2B12C4D8E_cF108_216_ac_h_e_2e_b:Cl-H-N-O-Zn,27.0,A2B12C4D8E_cF108_216_ac_h_e_2e_b:Cl-H-N-O-Zn +mp-1182775,H17RuN6Cl3O2,-5.029517435,-0.4637001158,0.294605405,0.294605405,GGA,Pna2_1,A3B17C6D2E_oP116_33_3a_17a_6a_2a_a:Cl-H-N-O-Ru,116.0,A3B17C6D2E_oP116_33_3a_17a_6a_2a_a:Cl-H-N-O-Ru +mp-632706,ZnH8(N2Cl)2,-4.91131667,-0.548343004,0.0978609859,0.0978609859,GGA,C2/m,A2B8C4D_mC30_12_i_2j_j_a:Cl-H-N-Zn,15.0,A2B8C4D_mC30_12_i_2j_j_a:Cl-H-N-Zn +mp-695295,H22RuN7(ClO2)4,-4.9238627062,-0.4182080315,0.5593887527,0.5593887527,GGA,Cm,A4B22C7D8E_mC84_8_4a_2a10b_3a2b_4a2b_a:Cl-H-N-O-Ru,42.0,"Invalid WP multiplicities - A4B22C7D8E_mC84_8_4a_2a16b_3a3b_4a3b_a:Cl-H-N-O-Ru, expected H34RuN9(Cl2O5)2 to be H22RuN7(ClO2)4" +mp-1205123,H2RuN2Cl5O,-4.147533232,0.1181228126,0.8786085533,0.8786085533,GGA,Pnma,A5B2C2DE_oP44_62_3cd_2c_d_c_c:Cl-H-N-O-Ru,44.0,A5B2C2DE_oP44_62_3cd_2c_d_c_c:Cl-H-N-O-Ru +mp-1196664,H13RuN5(ClO)2,-5.4456356217,-0.721602296,0.0355507865,0.0355507865,GGA,C2/m,A2B13C5D2E_mC92_12_2i_i6j_i2j_2i_i:Cl-H-N-O-Ru,46.0,A2B13C5D2E_mC92_12_2i_i6j_i2j_2i_i:Cl-H-N-O-Ru +mp-762311,ZnH12N4Cl4O3,-4.9554658532,-0.8907721606000001,0.096456294,0.096456294,GGA,Pnma,A4B12C4D3E_oP96_62_2cd_2c5d_2cd_cd_c:Cl-H-N-O-Zn,96.0,"Invalid WP multiplicities - A4B12C4D3E_oP96_62_7c2d_7c18d_4c2d_2c3d_c:Cl-H-N-O-Zn, expected ZnH43N8Cl11O8 to be ZnH12N4Cl4O3" +mp-697946,Cs2Zr2ZnH12(OF2)6,-5.5661429239,-2.3239560087,0.0820830509,0.0820830509,GGA,P2_1/c,A2B12C12D6EF2_mP70_14_e_6e_6e_3e_a_e:Cs-F-H-O-Zn-Zr,70.0,A2B12C12D6EF2_mP70_14_e_6e_6e_3e_a_e:Cs-F-H-O-Zn-Zr +mp-2713947,Na6Y8Si3(S3O16)3,-7.488595944,-2.7505961913,0.0526971882,0.0526971882,GGA,P1,A6B48C9D3E8_aP222_1_18a_144a_27a_9a_24a:Na-O-S-Si-Y,222.0,A6B48C9D3E8_aP222_1_18a_144a_27a_9a_24a:Na-O-S-Si-Y +mp-2715533,Na14Y8Si7S5O48,-7.3217343903,-2.8540800403,0.0993611468,0.0993611468,GGA,P1,A14B48C5D7E8_aP246_1_42a_144a_15a_21a_24a:Na-O-S-Si-Y,246.0,A14B48C5D7E8_aP246_1_42a_144a_15a_21a_24a:Na-O-S-Si-Y +mp-2713253,Na2LaYSi(SO6)2,-7.3622753099,-2.7777484097,0.0807503001,0.0807503001,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-S-Si-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-S-Si-Y +mp-2715167,Na10La4Y4Si5S7O48,-7.3181794823,-2.8007696981,0.096025374,0.096025374,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:La-Na-O-S-Si-Y,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:La-Na-O-S-Si-Y +mp-2714258,Na2La4Y4SiS11O48,-7.4876611043,-2.6787712734,0.0357560416,0.0357560416,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:La-Na-O-S-Si-Y,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:La-Na-O-S-Si-Y +mp-2716131,Na6La2Y2Si3(SO8)3,-7.2813315167,-2.8276829927,0.1024445736,0.1024445736,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:La-Na-O-S-Si-Y,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:La-Na-O-S-Si-Y +mp-2714374,Na4Y2Si2SO12,-7.2941413694,-2.8860273759,0.0883549583,0.0883549583,GGA,Cc,A4B12CD2E2_mC84_9_4a_12a_a_2a_2a:Na-O-S-Si-Y,126.0,"Invalid WP multiplicities - A4B12CD2E2_mC84_9_19a_72a_a_12a_6a:Na-O-S-Si-Y, expected Na19Y6Si12SO72 to be Na4Y2Si2SO12" +mp-2713854,Na6La4Y4Si3(S3O16)3,-7.4020091671,-2.7467371987,0.06974694,0.06974694,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:La-Na-O-S-Si-Y,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:La-Na-O-S-Si-Y +mp-10226,NaYS2,-6.113442865,-2.0979688299,0.0,-0.1511683956,GGA,R-3m,AB2C_hR12_166_a_c_b:Na-S-Y,4.0,AB2C_hR12_166_a_c_b:Na-S-Y +mp-2714384,Na4LaYSi2SO12,-7.2019148527,-2.8666800977,0.0966478058,0.0966478058,GGA,P1,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:La-Na-O-S-Si-Y,126.0,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:La-Na-O-S-Si-Y +mp-2714442,Na2La2Y2SiS5O24,-7.4453607524,-2.7154134341,0.0539705948,0.0539705948,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:La-Na-O-S-Si-Y,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:La-Na-O-S-Si-Y +mp-2716149,Na6Y4Si3(SO8)3,-7.3624670658,-2.8322953415,0.0991576414,0.0991576414,GGA,P1,A6B24C3D3E4_aP120_1_18a_72a_9a_9a_12a:Na-O-S-Si-Y,120.0,A6B24C3D3E4_aP120_1_18a_72a_9a_9a_12a:Na-O-S-Si-Y +mp-2714548,Na2Y4SiS5O24,-7.5301138903,-2.7151407938,0.040686066,0.040686066,GGA,P1,A2B24C5DE4_aP108_1_6a_72a_15a_3a_12a:Na-O-S-Si-Y,108.0,A2B24C5DE4_aP108_1_6a_72a_15a_3a_12a:Na-O-S-Si-Y +mp-2713819,LaY(SO4)3,-7.5438703024,-2.6513942815,0.0035155192,0.0035155192,GGA,P321,AB12C3D_hP102_150_2cd_12g_ef2g_3d:La-O-S-Y,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_3cd_20g_ef4g_5d:La-O-S-Y, expected La4Y5(SO4)15 to be LaY(SO4)3" +mp-2713538,Na2Y2Si(SO6)2,-7.4475697595,-2.782492122,0.0657695394,0.0657695394,GGA,Cc,A2B12C2DE2_mC228_9_6a_36a_6a_3a_6a:Na-O-S-Si-Y,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC228_9_6a_72a_10a_3a_6a:Na-O-S-Si-Y, expected Na6Y6Si3(S5O36)2 to be Na2Y2Si(SO6)2" +mp-2714205,Na2Y8SiS11O48,-7.5763709417,-2.6800260246,0.0256219429,0.0256219429,GGA,P1,A2B48C11DE8_aP210_1_6a_144a_33a_3a_24a:Na-O-S-Si-Y,210.0,A2B48C11DE8_aP210_1_6a_144a_33a_3a_24a:Na-O-S-Si-Y +mp-7220,NaY3SiS7,-6.4662938533,-1.874426709,0.0677393933,0.0677393933,GGA,P6_3,AB7CD3_hP24_173_a_b2c_b_c:Na-S-Si-Y,24.0,"Invalid WP multiplicities - AB7CD3_hP24_173_a_b5c_b_c:Na-S-Si-Y, expected NaY3SiS16 to be NaY3SiS7" +mp-1211293,La(YS2)3,-7.339144807,-2.4237328424,0.0,-0.0083154583,GGA,P2_1/m,AB6C3_mP20_11_e_6e_3e:La-S-Y,20.0,AB6C3_mP20_11_e_6e_3e:La-S-Y +mp-1200447,LaYS3,-7.2171600285,-2.4547944647,0.0,-0.0075176038,GGA,P2_1/m,AB3C_mP40_11_4e_12e_4e:La-S-Y,40.0,AB3C_mP40_11_4e_12e_4e:La-S-Y +mp-2715750,Na14La4Y4Si7S5O48,-7.2402505526,-2.8472529835,0.1042391964,0.1042391964,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:La-Na-O-S-Si-Y,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:La-Na-O-S-Si-Y +mp-2715116,Na10Y8Si5S7O48,-7.3982099979,-2.80231488,0.0886089975,0.0886089975,GGA,P1,A10B48C7D5E8_aP234_1_30a_144a_21a_15a_24a:Na-O-S-Si-Y,234.0,A10B48C7D5E8_aP234_1_30a_144a_21a_15a_24a:Na-O-S-Si-Y +mp-1195795,La4(YS2)11,-7.3184040259,-2.4028065195,0.0158599618,0.0158599618,GGA,C2/m,A4B22C11_mC74_12_2i_11i_a5i:La-S-Y,37.0,A4B22C11_mC74_12_2i_11i_a5i:La-S-Y +mp-1020598,Y4Si2S3O7,-8.4827269077,-3.2481837144,0.0240413896,0.0240413896,GGA,I4_1/amd,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Y,64.0,A7B3C2D4_tI128_141_ehi_abf_h_gh:O-S-Si-Y +mp-534782,Ca18Nd2Si3P9(O16F)3,-7.7086343389,-3.4458841655,0.0101537429,0.0101537429,GGA,Pm,A18B3C2D48E9F3_mP83_6_a3b7c_ac_2a_6a6b18c_a2b3c_2ab:Ca-F-Nd-O-P-Si,83.0,"Invalid WP multiplicities - A18B3C2D48E9F3_mP83_6_a3b10c_ac_2a_6a6b28c_a2b3c_2ab:Ca-F-Nd-O-P-Si, expected Ca24Nd2Si3P9O68F3 to be Ca18Nd2Si3P9(O16F)3" +mp-1210127,Nd(SiP3)2,-5.7586970853,-0.4144083594,0.0135410269,0.0135410269,GGA,Cmc2_1,AB6C2_oC144_36_4a_8a8b_4b:Nd-P-Si,72.0,AB6C2_oC144_36_4a_8a8b_4b:Nd-P-Si +mp-720643,K2ZrSi3(HO5)2,-7.5332272825,-2.9056277371,0.0,-0.0046584818,GGA,P2_12_12_1,A2B2C10D3E_oP72_19_2a_2a_10a_3a_a:H-K-O-Si-Zr,72.0,A2B2C10D3E_oP72_19_2a_2a_10a_3a_a:H-K-O-Si-Zr +mp-1226025,K3Zr4Si12HO44,-7.7082554787,-2.6508672747,0.1137660854,0.1137660854,GGA,P1,AB3C44D12E4_aP64_1_a_3a_44a_12a_4a:H-K-O-Si-Zr,64.0,AB3C44D12E4_aP64_1_a_3a_44a_12a_4a:H-K-O-Si-Zr +mp-773906,KNaZrSi3H4O11,-7.1907196045,-2.6554310824,0.0,-0.0003106271,GGA,Pna2_1,A4BCD11E3F_oP84_33_4a_a_a_11a_3a_a:H-K-Na-O-Si-Zr,84.0,"Invalid WP multiplicities - A4BCD11E3F_oP84_33_8a_a_a_22a_6a_a:H-K-Na-O-Si-Zr, expected KNaZrSi6(H4O11)2 to be KNaZrSi3H4O11" +mp-2228953,MgCo4(AgO2)4,-5.7524999265000005,-0.9914831657,0.2474113889,0.2474113889,GGA+U,Cm,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O,17.0,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O +mp-2229559,MgCo4(AgO2)4,-5.7632392453,-1.0022224845,0.2366720701,0.2366720701,GGA+U,Cm,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O,17.0,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O +mp-2229345,MgCo4(AgO2)4,-5.7521741082,-0.9911573475,0.2477372072,0.2477372072,GGA+U,Cm,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O,17.0,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O +mp-2228952,MgCo4(AgO2)4,-5.7513485753,-0.9903318145,0.2485627401,0.2485627401,GGA+U,P3m1,A4B4CD8_hP17_156_2abc_2b2c_a_4a2b2c:Ag-Co-Mg-O,17.0,A4B4CD8_hP17_156_2abc_2b2c_a_4a2b2c:Ag-Co-Mg-O +mp-2229688,MgCo4(AgO2)4,-5.7364053759,-0.9753886151,0.2635059395,0.2635059395,GGA+U,P3m1,A4B4CD8_hP17_156_ab2c_2a2b_a_2a2b4c:Ag-Co-Mg-O,17.0,A4B4CD8_mC34_8_4a_4a_a_8a:Ag-Co-Mg-O +mp-2229714,MgCo4(AgO2)4,-5.7521644194,-0.9911476586,0.247746896,0.247746896,GGA+U,P3m1,A4B4CD8_hP17_156_ab2c_2a2b_a_2a2b4c:Ag-Co-Mg-O,17.0,A4B4CD8_hP17_156_ab2c_2a2b_a_2a2b4c:Ag-Co-Mg-O +mp-1226919,Co3Ag2P3HO12,-6.9693522383,-1.922544453,0.0172588425,0.0172588425,GGA+U,Cc,A2B3CD12E3_mC84_9_2a_3a_a_12a_3a:Ag-Co-H-O-P,42.0,"Invalid WP multiplicities - A2B3CD12E3_mC84_9_2a_4a_a_17a_4a:Ag-Co-H-O-P, expected Co4Ag2P4HO17 to be Co3Ag2P3HO12" +mp-2226161,MgCoAgO2,-5.5268367,-1.2399304458,0.4956923762,0.4956923762,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Ag-Co-Mg-O,5.0,ABCD2_mC10_8_a_a_a_2a:Ag-Co-Mg-O +mp-2210649,MgCoAgO2,-5.574109326,-1.2872030718,0.4484197502,0.4484197502,GGA+U,R3m,ABCD2_hR15_160_a_a_a_2a:Ag-Co-Mg-O,5.0,ABCD2_hR15_160_a_a_a_2a:Ag-Co-Mg-O +mp-1233042,MgCo6Ag2P6(HO6)4,-6.9026722084,-1.9099618103,0.1776015534,0.1776015534,GGA+U,P1,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P,43.0,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P +mp-1233847,MgCo6Ag2P6(HO6)4,-6.9280992414,-1.9353888433,0.1521745204,0.1521745204,GGA+U,P1,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P,43.0,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P +mp-1234694,MgCo6Ag2P6(HO6)4,-6.9152999963,-1.9225895982,0.1649737655,0.1649737655,GGA+U,P1,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P,43.0,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P +mp-1234730,MgCo6Ag2P6(HO6)4,-6.9358985753,-1.9431881773,0.1443751864,0.1443751864,GGA+U,P1,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P,43.0,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P +mp-1234777,MgCo6Ag2P6(HO6)4,-6.9064054923,-1.9136950943,0.1738682695,0.1738682695,GGA+U,P1,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P,43.0,A2B6C4DE24F6_aP43_1_2a_6a_4a_a_24a_6a:Ag-Co-H-Mg-O-P +mp-1233022,MgCo6Ag2P6(HO6)4,-6.9353379312,-1.9426275331,0.1449358306,0.1449358306,GGA+U,P-1,A2B6C4DE24F6_aP43_2_i_3i_2i_a_12i_3i:Ag-Co-H-Mg-O-P,43.0,"Invalid WP multiplicities - A2B6C4DE24F6_aP43_2_i_6i_4i_a_24i_5i:Ag-Co-H-Mg-O-P, expected MgCo12Ag2P10(HO6)8 to be MgCo6Ag2P6(HO6)4" +mp-2217730,MgCo2(AgO3)2,-5.8386619791,-1.1875565323,0.1503095427,0.1503095427,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Ag-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Ag-Co-Mg-O +mp-2224784,MgCo2(AgO3)2,-5.7255868055,-1.0744813587,0.2633847164,0.2633847164,GGA+U,R-3,A2B2CD6_hR33_148_c_c_a_f:Ag-Co-Mg-O,11.0,A2B2CD6_hR33_148_c_c_a_f:Ag-Co-Mg-O +mp-2217118,MgCo2(AgO2)2,-5.6002489644,-1.0148286876,0.4229743635,0.4229743635,GGA+U,P3m1,A2B2CD4_hP9_156_ab_2c_c_2a2b:Ag-Co-Mg-O,9.0,A2B2CD4_hP9_156_ab_2c_c_2a2b:Ag-Co-Mg-O +mp-2217467,MgCo2(AgO2)2,-5.6824186956,-1.0969984187,0.3408046324,0.3408046324,GGA+U,P3m1,A2B2CD4_hP9_156_ab_2c_a_2a2b:Ag-Co-Mg-O,9.0,A2B2CD4_hP9_156_ab_2c_a_2a2b:Ag-Co-Mg-O +mp-24706,Co3AgP3(HO6)2,-7.0653603731,-1.9918778239,0.0057555684,0.0057555684,GGA+U,C2/c,AB3C2D12E3_mC84_15_e_ef_f_6f_ef:Ag-Co-H-O-P,42.0,"Invalid WP multiplicities - AB3C2D12E3_mC84_15_e_2ef_f_11f_ef:Ag-Co-H-O-P, expected Co4AgP3(HO11)2 to be Co3AgP3(HO6)2" +mp-2714436,Na4LaYSi(PO6)2,-7.4258175479,-3.030352454,0.0612744471,0.0612744471,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:La-Na-O-P-Si-Y,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:La-Na-O-P-Si-Y +mp-2715412,Na3LaY(PO4)3,-7.6235294289,-3.0750181212,0.0422614506,0.0422614506,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:La-Na-O-P-Y,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:La-Na-O-P-Y +mp-2715311,Na3LaY(PO4)3,-5.5242612201,-0.9757499124,2.1415296594,2.1415296594,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:La-Na-O-P-Y,,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:La-Na-O-P-Y +mp-1020615,Y2SiP4O15,-8.37537157,-3.1839260722,0.0,-0.0053522762,GGA,P2_12_12,A15B4CD2_oP44_18_a7c_2c_b_c:O-P-Si-Y,44.0,A15B4CD2_oP44_18_a7c_2c_b_c:O-P-Si-Y +mp-2714558,Na4Y2Si(PO6)2,-7.5159310887,-3.0475867563,0.0343327243,0.0343327243,GGA,Cc,A4B12C2DE2_mC252_9_12a_36a_6a_3a_6a:Na-O-P-Si-Y,126.0,"Invalid WP multiplicities - A4B12C2DE2_mC252_9_21a_72a_10a_3a_6a:Na-O-P-Si-Y, expected Na21Y6Si3(P5O36)2 to be Na4Y2Si(PO6)2" +mp-2715790,Na7Y4SiP5O24,-7.6132228711,-3.0684443067,0.0257519054,0.0257519054,GGA,P1,A7B24C5DE4_aP123_1_21a_72a_15a_3a_12a:Na-O-P-Si-Y,123.0,A7B24C5DE4_aP123_1_21a_72a_15a_3a_12a:Na-O-P-Si-Y +mp-683831,Fe3MoC11SeS3O11,-7.5224135223,-0.586084487,0.64940469,0.64940469,GGA+U,P2_1/c,A11B3CD11E3F_mP120_14_11e_3e_e_11e_3e_e:C-Fe-Mo-O-S-Se,120.0,"Invalid WP multiplicities - A11B3CD11E3F_mP120_14_44e_9e_e_36e_8e_e:C-Fe-Mo-O-S-Se, expected Fe9MoC44Se(S2O9)4 to be Fe3MoC11SeS3O11" +mp-624052,Fe2MoC10(SeO5)2,-7.6990364018,-0.6377941009,0.6218424752,0.6218424752,GGA+U,P-1,A10B2CD10E2_aP50_2_10i_2i_i_10i_2i:C-Fe-Mo-O-Se,50.0,"Invalid WP multiplicities - A10B2CD10E2_aP50_2_20i_2i_i_20i_2i:C-Fe-Mo-O-Se, expected Fe2MoC20(SeO10)2 to be Fe2MoC10(SeO5)2" +mp-1201021,Fe3C9SeSO9,-7.5266573267,-0.543152422,0.6807161441,0.6807161441,GGA+U,P-1,A9B3C9DE_aP46_2_9i_3i_9i_i_i:C-Fe-O-S-Se,46.0,A9B3C9DE_aP46_2_9i_3i_9i_i_i:C-Fe-O-S-Se +mp-2714809,Na5Mg2Ga2P3(SO8)3,-6.6107525111,-2.4251329008,0.0660421952,0.0660421952,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ga-Mg-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ga-Mg-Na-O-P-S +mp-2716036,Na7Mg2Ga2P5SO24,-6.7034174967,-2.5951755292,0.029898573,0.029898573,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-Mg-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-Mg-Na-O-P-S +mp-2713468,Na2MgGaP(SO6)2,-6.5696380667,-2.3422752543,0.0582316558,0.0582316558,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Ga-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Ga-Mg-Na-O-P-S, expected Na2MgGaPS3O20 to be Na2MgGaP(SO6)2" +mp-2712548,Na3MgGaP2SO12,-6.6558253749,-2.5098618065,0.0510595504,0.0510595504,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ga-Mg-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Ga-Mg-Na-O-P-S, expected Na8MgGaP7SO60 to be Na3MgGaP2SO12" +mp-2715154,Na4MgGa(PO4)3,-6.7356966681,-2.6633800347000003,0.0210533559,0.0210533559,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Ga-Mg-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Ga-Mg-Na-O-P, expected Na4MgGa(PO12)3 to be Na4MgGa(PO4)3" +mp-2714033,Na7MgGa3(PO4)6,-6.7875668835,-2.6133573888,0.0255935348,0.0255935348,GGA,P1,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Ga-Mg-Na-O-P,123.0,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Ga-Mg-Na-O-P +mp-2712655,Na3Mg2Ga2PS5O24,-6.5276531248000005,-2.2562907211,0.0299303538,0.0299303538,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ga-Mg-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ga-Mg-Na-O-P-S +mp-2230600,K2MgMo2P2(ClO5)2,-7.0651827689,-2.3545015263,0.134946219,0.134946219,GGA+U,Cm,A2B2CD2E10F2_mC38_8_2a_b_a_2a_2a4b_b:Cl-K-Mg-Mo-O-P,19.0,"Invalid WP multiplicities - A2B2CD2E10F2_mC38_8_2a_b_a_2a_2a6b_b:Cl-K-Mg-Mo-O-P, expected K2MgMo2P2(ClO7)2 to be K2MgMo2P2(ClO5)2" +mp-554960,KMoPClO5,-7.2384471539,-2.354965845,0.0,-0.0178894128,GGA+U,P4/nmm,ABCD5E_tP18_129_c_a_c_ci_b:Cl-K-Mo-O-P,18.0,"Invalid WP multiplicities - ABCD5E_tP18_129_c_a_c_2c3i_b:Cl-K-Mo-O-P, expected KMoPClO14 to be KMoPClO5" +mp-2712943,Y3NbSiS5O24,-7.7702581954,-2.6429401126,0.0484554394,0.0484554394,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Nb-O-S-Si-Y,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Nb-O-S-Si-Y +mp-2713032,Na6Y4Nb4Si7S5O48,-7.8311641302,-2.8270183186,0.0950526839,0.0950526839,GGA,P1,A6B4C48D5E7F4_aP222_1_18a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Y,222.0,A6B4C48D5E7F4_aP222_1_18a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Y +mp-2715183,Na4YNb3Si5SO24,-7.9838190154,-2.930028055,0.0771471846,0.0771471846,GGA,P1,A4B3C24DE5F_aP114_1_12a_9a_72a_3a_15a_3a:Na-Nb-O-S-Si-Y,114.0,A4B3C24DE5F_aP114_1_12a_9a_72a_3a_15a_3a:Na-Nb-O-S-Si-Y +mp-2713501,Na2Y2Nb2Si3(SO8)3,-7.8247224969,-2.7362103953,0.1370723755,0.1370723755,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Na-Nb-O-S-Si-Y,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Na-Nb-O-S-Si-Y +mp-2716001,Na6Y6Nb2Si5S7O48,-7.6251604797,-2.7540876975,0.1123305683,0.1123305683,GGA,P1,A6B2C48D7E5F6_aP222_1_18a_6a_144a_21a_15a_18a:Na-Nb-O-S-Si-Y,222.0,A6B2C48D7E5F6_aP222_1_18a_6a_144a_21a_15a_18a:Na-Nb-O-S-Si-Y +mp-2716109,Na10Y6Nb2Si7S5O48,-7.5686411175,-2.846497228,0.1071377029,0.1071377029,GGA,P1,A10B2C48D5E7F6_aP234_1_30a_6a_144a_15a_21a_18a:Na-Nb-O-S-Si-Y,234.0,A10B2C48D5E7F6_aP234_1_30a_6a_144a_15a_21a_18a:Na-Nb-O-S-Si-Y +mp-2713384,Na10Y7NbSi6(SO8)6,-7.4902457079,-2.8312262042,0.0945823759,0.0945823759,GGA,P1,A10BC48D6E6F7_aP234_1_30a_3a_144a_18a_18a_21a:Na-Nb-O-S-Si-Y,234.0,A10BC48D6E6F7_aP234_1_30a_3a_144a_18a_18a_21a:Na-Nb-O-S-Si-Y +mp-2716264,Na8Y3NbSi5SO24,-7.4654152605,-2.9400702649,0.0695723554,0.0695723554,GGA,P1,A8BC24DE5F3_aP126_1_24a_3a_72a_3a_15a_9a:Na-Nb-O-S-Si-Y,126.0,A8BC24DE5F3_aP126_1_24a_3a_72a_3a_15a_9a:Na-Nb-O-S-Si-Y +mp-2716460,Na10Y2Nb6Si11SO48,-7.9408069206,-2.966165488,0.062697165,0.062697165,GGA,P1,A10B6C48DE11F2_aP234_1_30a_18a_144a_3a_33a_6a:Na-Nb-O-S-Si-Y,234.0,A10B6C48DE11F2_aP234_1_30a_18a_144a_3a_33a_6a:Na-Nb-O-S-Si-Y +mp-2714235,Na10Y4Nb4Si9(SO16)3,-7.7199919544,-2.8715992934,0.1199224239,0.1199224239,GGA,P1,A10B4C48D3E9F4_aP234_1_30a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Y,234.0,A10B4C48D3E9F4_aP234_1_30a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Y +mp-2713857,Na2Y3Nb5Si6(SO8)6,-7.9944795437,-2.7464416202,0.0954782444,0.0954782444,GGA,P1,A2B5C48D6E6F3_aP210_1_6a_15a_144a_18a_18a_9a:Na-Nb-O-S-Si-Y,210.0,A2B5C48D6E6F3_aP210_1_6a_15a_144a_18a_18a_9a:Na-Nb-O-S-Si-Y +mp-2715223,Na6YNb3(SiO4)6,-7.9083301316,-3.0088807505,0.0400527409,0.0400527409,GGA,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Na-Nb-O-Si-Y,80.0,"Invalid WP multiplicities - A6B3C24D6E_aP40_1_12a_6a_48a_12a_a:Na-Nb-O-Si-Y, expected Na12YNb6(SiO4)12 to be Na6YNb3(SiO4)6" +mp-2715489,Na6YNb3(SiO4)6,-7.9028924953,-3.0034431141,0.0454903772,0.0454903772,GGA,P1,A6B3C24D6E_aP120_1_18a_9a_72a_18a_3a:Na-Nb-O-Si-Y,120.0,A6B3C24D6E_aP120_1_18a_9a_72a_18a_3a:Na-Nb-O-Si-Y +mp-2712774,Na2YNbSi2SO12,-7.742215374,-2.8179955213000003,0.1502959112,0.1502959112,GGA,Cc,A2BC12DE2F_mC76_9_2a_a_12a_a_2a_a:Na-Nb-O-S-Si-Y,114.0,"Invalid WP multiplicities - A2BC12DE2F_mC76_9_2a_a_72a_a_12a_a:Na-Nb-O-S-Si-Y, expected Na2YNbSi12SO72 to be Na2YNbSi2SO12" +mp-2714742,Na14Y6Nb2Si9(SO16)3,-7.4906066246,-2.9028619797,0.0900780377,0.0900780377,GGA,P1,A14B2C48D3E9F6_aP246_1_42a_6a_144a_9a_27a_18a:Na-Nb-O-S-Si-Y,246.0,A14B2C48D3E9F6_aP246_1_42a_6a_144a_9a_27a_18a:Na-Nb-O-S-Si-Y +mp-2712899,Na6Y2Nb6Si9(SO16)3,-8.0188339375,-2.8816150964,0.0931004237,0.0931004237,GGA,P1,A6B6C48D3E9F2_aP222_1_18a_18a_144a_9a_27a_6a:Na-Nb-O-S-Si-Y,222.0,A6B6C48D3E9F2_aP222_1_18a_18a_144a_9a_27a_6a:Na-Nb-O-S-Si-Y +mp-2715697,Na2YNb3Si4(SO12)2,-8.0684033694,-2.8431217654000003,0.0842678708,0.0842678708,GGA,P1,A2B3C24D2E4F_aP108_1_6a_9a_72a_6a_12a_3a:Na-Nb-O-S-Si-Y,108.0,A2B3C24D2E4F_aP108_1_6a_9a_72a_6a_12a_3a:Na-Nb-O-S-Si-Y +mp-2712761,Na2Y3NbSi2(SO6)4,-7.6844517917,-2.7327091927,0.086466713,0.086466713,GGA,P1,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-S-Si-Y,108.0,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-S-Si-Y +mp-2716364,Na2Y6Nb2Si3(S3O16)3,-7.7329794907,-2.695957371,0.0700964936,0.0700964936,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Na-Nb-O-S-Si-Y,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Na-Nb-O-S-Si-Y +mp-2714420,Na6Y3NbSi4(SO12)2,-7.5282861755,-2.8750218989,0.1003231194,0.1003231194,GGA,P1,A6BC24D2E4F3_aP120_1_18a_3a_72a_6a_12a_9a:Na-Nb-O-S-Si-Y,120.0,A6BC24D2E4F3_aP120_1_18a_3a_72a_6a_12a_9a:Na-Nb-O-S-Si-Y +mp-2713378,Na10YNb7(SiO4)12,-8.0483796494,-3.0106138311,0.0369192899,0.0369192899,GGA,P1,A10B7C48D12E_aP234_1_30a_21a_144a_36a_3a:Na-Nb-O-Si-Y,234.0,A10B7C48D12E_aP234_1_30a_21a_144a_36a_3a:Na-Nb-O-Si-Y +mp-2715574,Na2Y2Nb6Si7S5O48,-8.1068145995,-2.7884380746,0.0729697462,0.0729697462,GGA,P1,A2B6C48D5E7F2_aP210_1_6a_18a_144a_15a_21a_6a:Na-Nb-O-S-Si-Y,210.0,A2B6C48D5E7F2_aP210_1_6a_18a_144a_15a_21a_6a:Na-Nb-O-S-Si-Y +mp-2713406,YNbSi(SO6)2,-7.9095683665,-2.6374355163,0.0928382122,0.0928382122,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:Nb-O-S-Si-Y,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:Nb-O-S-Si-Y, expected YNbSiS3O20 to be YNbSi(SO6)2" +mp-2716164,Na2Y4Nb4Si5S7O48,-7.8870929891,-2.7093936669,0.1106211593,0.1106211593,GGA,P1,A2B4C48D7E5F4_aP210_1_6a_12a_144a_21a_15a_12a:Na-Nb-O-S-Si-Y,210.0,A2B4C48D7E5F4_aP210_1_6a_12a_144a_21a_15a_12a:Na-Nb-O-S-Si-Y +mp-2714870,Na6Y5Nb3Si6(SO8)6,-7.7202578745,-2.7826485776,0.1131001662,0.1131001662,GGA,P1,A6B3C48D6E6F5_aP222_1_18a_9a_144a_18a_18a_15a:Na-Nb-O-S-Si-Y,222.0,A6B3C48D6E6F5_aP222_1_18a_9a_144a_18a_18a_15a:Na-Nb-O-S-Si-Y +mp-2713982,Na6Y2Nb2Si5SO24,-7.706798221,-2.9304413921,0.0816978627,0.0816978627,GGA,P1,A6B2C24DE5F2_aP120_1_18a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Y,120.0,A6B2C24DE5F2_aP120_1_18a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Y +mp-2712837,Na14Y3Nb5(SiO4)12,-7.7599328774,-2.9920527902,0.0548162553,0.0548162553,GGA,P1,A14B5C48D12E3_aP246_1_42a_15a_144a_36a_9a:Na-Nb-O-Si-Y,246.0,A14B5C48D12E3_aP246_1_42a_15a_144a_36a_9a:Na-Nb-O-Si-Y +mp-2716355,Na4YNb(SiO4)3,-7.6153698521,-2.9727938543,0.0721090521,0.0721090521,GGA,R3c,A4BC12D3E_hR126_161_ab_a_4b_b_a:Na-Nb-O-Si-Y,126.0,"Invalid WP multiplicities - A4BC12D3E_hR126_161_ab_a_12b_b_a:Na-Nb-O-Si-Y, expected Na4YNb(SiO12)3 to be Na4YNb(SiO4)3" +mp-2713691,Na4Y3NbSi3(SO8)3,-7.6017707218,-2.8071219766,0.1040522095,0.1040522095,GGA,P1,A4BC24D3E3F3_aP114_1_12a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Y,114.0,A4BC24D3E3F3_aP114_1_12a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Y +mp-2713971,YNb3Si3(SO8)3,-8.1344377596,-2.7174901421,0.0516617629,0.0516617629,GGA,P1,A3B24C3D3E_aP102_1_9a_72a_9a_9a_3a:Nb-O-S-Si-Y,102.0,A3B24C3D3E_aP102_1_9a_72a_9a_9a_3a:Nb-O-S-Si-Y +mp-2714446,Na14Y4Nb4Si11SO48,-7.6822571165,-2.9744221768,0.0544984606,0.0544984606,GGA,P1,A14B4C48DE11F4_aP246_1_42a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Y,246.0,A14B4C48DE11F4_aP246_1_42a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Y +mp-2715771,Na8Zr3ZnSi5SO24,-7.3215735713,-2.8580826919,0.0582805768,0.0582805768,GGA,P1,A8B24CD5EF3_aP126_1_24a_72a_3a_15a_3a_9a:Na-O-S-Si-Zn-Zr,126.0,A8B24CD5EF3_aP126_1_24a_72a_3a_15a_3a_9a:Na-O-S-Si-Zn-Zr +mp-2713759,Na6Zr4Zn4Si3(S3O16)3,-6.9724025236,-2.403348608,0.0613959842,0.0613959842,GGA,P1,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Zn-Zr,222.0,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Zn-Zr +mp-2713161,Na4ZrZn3SiS5O24,-6.4760539611,-2.2011821435,0.0717547414,0.0717547414,GGA,P1,A4B24C5DE3F_aP114_1_12a_72a_15a_3a_9a_3a:Na-O-S-Si-Zn-Zr,114.0,A4B24C5DE3F_aP114_1_12a_72a_15a_3a_9a_3a:Na-O-S-Si-Zn-Zr +mp-2716295,Na6Zr7ZnSi6(SO8)6,-7.7169733607,-2.8002103161000003,0.0668403723,0.0668403723,GGA,P1,A6B48C6D6EF7_aP222_1_18a_144a_18a_18a_3a_21a:Na-O-S-Si-Zn-Zr,222.0,A6B48C6D6EF7_aP222_1_18a_144a_18a_18a_3a_21a:Na-O-S-Si-Zn-Zr +mp-2712789,Na6ZrZn3Si2(SO6)4,-6.4474271481,-2.2879509526,0.1212601638,0.1212601638,GGA,P1,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-S-Si-Zn-Zr,120.0,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-S-Si-Zn-Zr +mp-2713663,Na2ZrZnSi(SO6)2,-6.941318746,-2.4407410025000003,0.0999078032,0.0999078032,GGA,Cc,A2B12C2DEF_mC228_9_6a_36a_6a_3a_3a_3a:Na-O-S-Si-Zn-Zr,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC228_9_6a_60a_9a_3a_3a_3a:Na-O-S-Si-Zn-Zr, expected Na2ZrZnSiS3O20 to be Na2ZrZnSi(SO6)2" +mp-2714744,Na2Zr3Zn5(SO4)12,-6.7496968162,-2.1544778581,0.0001168279,0.0001168279,GGA,P1,A2B48C12D5E3_aP210_1_6a_144a_36a_15a_9a:Na-O-S-Zn-Zr,210.0,A2B48C12D5E3_aP210_1_6a_144a_36a_15a_9a:Na-O-S-Zn-Zr +mp-2714537,Na6Zr3ZnSi4(SO12)2,-7.3716713918,-2.7833539372,0.0940508054,0.0940508054,GGA,P1,A6B24C2D4EF3_aP120_1_18a_72a_6a_12a_3a_9a:Na-O-S-Si-Zn-Zr,120.0,A6B24C2D4EF3_aP120_1_18a_72a_6a_12a_3a_9a:Na-O-S-Si-Zn-Zr +mp-2716091,Na14Zr2Zn6Si5S7O48,-6.4382237338,-2.3322235583,0.1370963163,0.1370963163,GGA,P1,A14B48C7D5E6F2_aP246_1_42a_144a_21a_15a_18a_6a:Na-O-S-Si-Zn-Zr,246.0,A14B48C7D5E6F2_aP246_1_42a_144a_21a_15a_18a_6a:Na-O-S-Si-Zn-Zr +mp-2716363,Na2Zr6Zn2Si3(S3O16)3,-7.5211514154,-2.5583542351,0.0239955465,0.0239955465,GGA,P1,A2B48C9D3E2F6_aP210_1_6a_144a_27a_9a_6a_18a:Na-O-S-Si-Zn-Zr,210.0,A2B48C9D3E2F6_aP210_1_6a_144a_27a_9a_6a_18a:Na-O-S-Si-Zn-Zr +mp-2714435,Na4ZrZnSi2SO12,-6.8644130034,-2.6051322474000003,0.1038687596,0.1038687596,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-S-Si-Zn-Zr,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_14a_60a_a_7a_a_a:Na-O-S-Si-Zn-Zr, expected Na14ZrZnSi7SO60 to be Na4ZrZnSi2SO12" +mp-2714068,Na14Zr3Zn5Si6(SO8)6,-6.6586528977,-2.4480572932,0.1286308092,0.1286308092,GGA,P1,A14B48C6D6E5F3_aP246_1_42a_144a_18a_18a_15a_9a:Na-O-S-Si-Zn-Zr,246.0,A14B48C6D6E5F3_aP246_1_42a_144a_18a_18a_15a_9a:Na-O-S-Si-Zn-Zr +mp-2716054,Na6Zr6Zn2Si5S7O48,-7.4484800886,-2.647620087,0.0853285694,0.0853285694,GGA,P1,A6B48C7D5E2F6_aP222_1_18a_144a_21a_15a_6a_18a:Na-O-S-Si-Zn-Zr,222.0,A6B48C7D5E2F6_aP222_1_18a_144a_21a_15a_6a_18a:Na-O-S-Si-Zn-Zr +mp-2716274,Na6Zr2Zn2Si3(SO8)3,-6.8919795389,-2.5180827139,0.1392171618,0.1392171618,GGA,P1,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Zn-Zr,120.0,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Zn-Zr +mp-2714844,Na14Zr6Zn2Si9(SO16)3,-7.3430285952,-2.8186467035,0.0801460822,0.0801460822,GGA,P1,A14B48C3D9E2F6_aP246_1_42a_144a_9a_27a_6a_18a:Na-O-S-Si-Zn-Zr,246.0,A14B48C3D9E2F6_aP246_1_42a_144a_9a_27a_6a_18a:Na-O-S-Si-Zn-Zr +mp-2714303,Na2ZrZn3(SO4)6,-6.4955232411,-2.0924340656,0.0096046072,0.0096046072,GGA,P3,A2B24C6D3E_hP108_143_2a2b2c_24d_6d_2a3b4c_2ab:Na-O-S-Zn-Zr,108.0,A2B24C6D3E_hP108_143_2a2b2c_24d_6d_2a3b4c_2ab:Na-O-S-Zn-Zr +mp-2713652,Na4Zr3ZnSi3(SO8)3,-7.4264286668,-2.7001449975,0.1016498706,0.1016498706,GGA,P1,A4B24C3D3EF3_aP114_1_12a_72a_9a_9a_3a_9a:Na-O-S-Si-Zn-Zr,114.0,A4B24C3D3EF3_aP114_1_12a_72a_9a_9a_3a_9a:Na-O-S-Si-Zn-Zr +mp-2715930,Na10Zr6Zn2Si7S5O48,-7.4019969435,-2.7464651791,0.1084546977,0.1084546977,GGA,P1,A10B48C5D7E2F6_aP234_1_30a_144a_15a_21a_6a_18a:Na-O-S-Si-Zn-Zr,234.0,A10B48C5D7E2F6_aP234_1_30a_144a_15a_21a_6a_18a:Na-O-S-Si-Zn-Zr +mp-2712995,Zr3ZnSiS5O24,-7.5466139041,-2.4957038472,0.0041340683,0.0041340683,GGA,P1,A24B5CDE3_aP102_1_72a_15a_3a_3a_9a:O-S-Si-Zn-Zr,102.0,A24B5CDE3_aP102_1_72a_15a_3a_3a_9a:O-S-Si-Zn-Zr +mp-2714824,Na10Zr2Zn6Si3(S3O16)3,-6.4647627855,-2.24906821,0.0969516477,0.0969516477,GGA,P1,A10B48C9D3E6F2_aP234_1_30a_144a_27a_9a_18a_6a:Na-O-S-Si-Zn-Zr,234.0,A10B48C9D3E6F2_aP234_1_30a_144a_27a_9a_18a_6a:Na-O-S-Si-Zn-Zr +mp-2712596,Na2Zr3ZnSi2(SO6)4,-7.4903920924,-2.610812629,0.0494650261,0.0494650261,GGA,P1,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-S-Si-Zn-Zr,108.0,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-S-Si-Zn-Zr +mp-2715045,Na10Zr4Zn4Si5S7O48,-6.9129457569,-2.4773325870000003,0.1231372803,0.1231372803,GGA,P1,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Zn-Zr,234.0,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Zn-Zr +mp-2713859,ZrZn(SO4)3,-7.0088927222,-2.2102422295,0.0,-0.0288948107,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-S-Zn-Zr,102.0,"Invalid WP multiplicities - A12B3CD_hR102_161_12b_b_a_a:O-S-Zn-Zr, expected ZrZn(SO12)3 to be ZrZn(SO4)3" +mp-2715661,Na14Zr4Zn4Si7S5O48,-6.8986781758,-2.5834871422,0.1005691879,0.1005691879,GGA,P1,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Zn-Zr,246.0,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Zn-Zr +mp-2715211,Na8ZrZn3Si3(SO8)3,-6.4376769025,-2.3826062699,0.1170398848,0.1170398848,GGA,P1,A8B24C3D3E3F_aP126_1_24a_72a_9a_9a_9a_3a:Na-O-S-Si-Zn-Zr,126.0,A8B24C3D3E3F_aP126_1_24a_72a_9a_9a_9a_3a:Na-O-S-Si-Zn-Zr +mp-2714173,Na2Zr4Zn4SiS11O48,-7.0027507963,-2.2850057642,0.0149182503,0.0149182503,GGA,P1,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Zn-Zr,210.0,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Zn-Zr +mp-2712726,Na6Zr2Zn6SiS11O48,-6.4948250627,-2.1575772332,0.032219981,0.032219981,GGA,P1,A6B48C11DE6F2_aP222_1_18a_144a_33a_3a_18a_6a:Na-O-S-Si-Zn-Zr,222.0,A6B48C11DE6F2_aP222_1_18a_144a_33a_3a_18a_6a:Na-O-S-Si-Zn-Zr +mp-2714615,Na2Zr2Zn2SiS5O24,-6.9873258036,-2.3459914841,0.0386319939,0.0386319939,GGA,P1,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Zn-Zr,108.0,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Zn-Zr +mp-2716523,Na10Zr5Zn3Si6(SO8)6,-7.1575031812,-2.6119307141,0.1157641579,0.1157641579,GGA,P1,A10B48C6D6E3F5_aP234_1_30a_144a_18a_18a_9a_15a:Na-O-S-Si-Zn-Zr,234.0,A10B48C6D6E3F5_aP234_1_30a_144a_18a_18a_9a_15a:Na-O-S-Si-Zn-Zr +mp-2715147,Na6ZrZn7(SO4)12,-6.2591410966,-2.03779631,0.0145272151,0.0145272151,GGA,P1,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-S-Zn-Zr,222.0,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-S-Zn-Zr +mp-849374,Li10Mg12Fe(PO4)12,-7.1338131995,-2.9270264682,0.0030926921,0.0030926921,GGA+U,P-1,AB10C12D48E12_aP83_2_b_ce4i_6i_24i_6i:Fe-Li-Mg-O-P,83.0,"Invalid WP multiplicities - AB10C12D48E12_aP83_2_b_ce6i_12i_48i_12i:Fe-Li-Mg-O-P, expected Li14Mg24Fe(PO4)24 to be Li10Mg12Fe(PO4)12" +mp-745203,Li9Mg12Fe(PO4)12,-6.2445696804,-2.009760219,0.9152167899,0.9152167899,GGA+U,P1,AB9C12D48E12_aP82_1_a_9a_12a_48a_12a:Fe-Li-Mg-O-P,82.0,AB9C12D48E12_aP82_1_a_9a_12a_48a_12a:Fe-Li-Mg-O-P +mp-1022970,LiMg6Mn,-2.4845454781000003,0.0995318292,0.1344184769,0.1344184769,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Mn, expected LiMg12Mn to be LiMg6Mn" +mp-1022972,LiMg6Mn,-2.4858989575,0.0981783498,0.1330649976,0.1330649976,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Mn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Mn, expected LiMg12Mn to be LiMg6Mn" +mp-754265,Li2MgMn3O8,-7.3768094229,-2.1998321836,0.0193105025,-0.0136386093,GGA+U,R-3m,A2BC3D8_hR42_166_c_a_d_ch:Li-Mg-Mn-O,14.0,"Invalid WP multiplicities - A2BC3D8_hR42_166_c_a_d_2ch:Li-Mg-Mn-O, expected Li2MgMn3O10 to be Li2MgMn3O8" +mp-581301,Li2MgMn3O8,-7.3961199254,-2.2191426861,0.0,-0.0329491118,GGA+U,P4_332,A2BC3D8_cP56_212_c_a_d_ce:Li-Mg-Mn-O,56.0,"Invalid WP multiplicities - A2BC3D8_cP56_212_c_a_d_7c8e:Li-Mg-Mn-O, expected Li2MgMn3O62 to be Li2MgMn3O8" +mp-1032414,LiMg6MnO8,-6.56714445,-2.8017614407,0.0288953116,0.0288953116,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Li-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Li-Mg-Mn-O, expected LiMg6MnO12 to be LiMg6MnO8" +mp-1032403,LiMg6MnO8,-6.5715191862,-2.806136177,0.0245205753,0.0245205753,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Li-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Li-Mg-Mn-O, expected LiMg6MnO12 to be LiMg6MnO8" +mp-1038037,LiMg30MnO32,-6.3864847284,-2.9900256906,0.008168722,0.008168722,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Li-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Li-Mg-Mn-O, expected LiMg110MnO72 to be LiMg30MnO32" +mp-1038038,LiMg30MnO32,-6.3907874523,-2.9943284146,0.003865998,0.003865998,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Li-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Li-Mg-Mn-O, expected LiMg90MnO80 to be LiMg30MnO32" +mp-756823,LiMg2Mn3O8,-7.4695454357,-2.3146141119,0.0249405162,0.0249405162,GGA+U,R3m,AB2C3D8_hR42_160_a_2a_b_2a2b:Li-Mg-Mn-O,14.0,AB2C3D8_hR42_160_a_2a_b_2a2b:Li-Mg-Mn-O +mp-755564,Li2Mg2MnFe(PO4)4,-7.5090592094,-2.6840333732,0.0083251728,0.0083251728,GGA+U,P1,AB2C2DE16F4_aP26_1_a_2a_2a_a_16a_4a:Fe-Li-Mg-Mn-O-P,52.0,AB2C2DE16F4_aP26_1_a_2a_2a_a_16a_4a:Fe-Li-Mg-Mn-O-P +mp-1028123,LiMg14Mn,-1.9595779188,0.1326007599,0.1634195079,0.1634195079,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Mn, expected LiMg18Mn to be LiMg14Mn" +mp-1028092,LiMg14Mn,-2.0431268894,0.0490517893,0.0798705373,0.0798705373,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Mn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Mn, expected LiMg26Mn to be LiMg14Mn" +mp-1036220,LiMg14MnO16,-6.4525024987,-2.9330688038,0.009279722,0.009279722,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Li-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Li-Mg-Mn-O, expected LiMg18MnO20 to be LiMg14MnO16" +mp-1036089,LiMg14MnO16,-6.4399800909,-2.920546396,0.0218021298,0.0218021298,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Li-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Li-Mg-Mn-O, expected LiMg30MnO32 to be LiMg14MnO16" +mp-706455,As4S11(N6Cl7)2,-4.8866195779,-0.2511348341,0.2546389594,0.2546389594,GGA,P-42_1c,A4B14C12D11_tP164_114_2e_7e_6e_c5e:As-Cl-N-S,164.0,A4B14C12D11_tP164_114_2e_7e_6e_c5e:As-Cl-N-S +mp-556705,AsS(ClF2)3,-4.181130813,-1.8347624441,0.0,-0.0503137246,GGA,P2_12_12_1,AB3C6D_oP44_19_a_3a_6a_a:As-Cl-F-S,44.0,"Invalid WP multiplicities - AB3C6D_oP44_19_a_9a_19a_a:As-Cl-F-S, expected AsSCl9F19 to be AsS(ClF2)3" +mp-23444,AsCl2F3,-4.2355257921,-1.8870876875,0.0,-0.0721486193,GGA,P4/n,AB2C3_tP24_85_ac_g_2cg:As-Cl-F,24.0,"Invalid WP multiplicities - AB2C3_tP24_85_ac_g_2c2g:As-Cl-F, expected AsCl2F5 to be AsCl2F3" +mp-541401,As2Se3(NF6)2,-4.8806255666,-1.7534303717,0.1078449184,0.1078449184,GGA,C2,A2B12C2D3_mC76_5_abc_12c_2c_3c:As-F-N-Se,38.0,A2B12C2D3_mC76_5_abc_12c_2c_3c:As-F-N-Se +mp-541335,As2Se2S(NF6)2,-4.9353190566,-1.7744113149,0.1117697535,0.1117697535,GGA,C2,A2B12C2DE2_mC76_5_abc_12c_2c_c_2c:As-F-N-S-Se,38.0,A2B12C2DE2_mC76_5_abc_12c_2c_c_2c:As-F-N-S-Se +mp-23575,AsSe3(ClF2)3,-4.0827459408,-1.6087969698,0.0,-0.0078529438,GGA,P2_1/c,AB3C6D3_mP52_14_e_3e_6e_3e:As-Cl-F-Se,52.0,"Invalid WP multiplicities - AB3C6D3_mP52_14_e_9e_10e_4e:As-Cl-F-Se, expected AsSe4Cl9F10 to be AsSe3(ClF2)3" +mp-556763,AsSe3(NF3)2,-4.9253875927,-1.3179945516,0.1555150531,0.1555150531,GGA,P-1,AB6C2D3_aP48_2_2i_12i_4i_6i:As-F-N-Se,48.0,"Invalid WP multiplicities - AB6C2D3_aP48_2_4i_22i_7i_12i:As-F-N-Se, expected As4Se12N7F22 to be AsSe3(NF3)2" +mp-554706,AsSe(ClF2)3,-4.1724966964,-1.8843590902,0.0,-0.0534571266,GGA,P2_1/c,AB3C6D_mP44_14_e_3e_6e_e:As-Cl-F-Se,44.0,"Invalid WP multiplicities - AB3C6D_mP44_14_e_8e_22e_e:As-Cl-F-Se, expected AsSe(Cl4F11)2 to be AsSe(ClF2)3" +mp-560986,AsSe2S(NF3)2,-5.0445505198,-1.3837792796,0.129164474,0.129164474,GGA,P2_1/c,AB6C2DE2_mP96_14_2e_12e_4e_2e_4e:As-F-N-S-Se,96.0,"Invalid WP multiplicities - AB6C2DE2_mP96_14_3e_45e_12e_8e_12e:As-F-N-S-Se, expected As3Se12S8(N4F15)3 to be AsSe2S(NF3)2" +mp-556154,AsSeS3N5F6,-5.439586682,-0.8323536875,0.3594434303,0.3594434303,GGA,Pc,AB6C5D3E_mP64_7_2a_12a_10a_6a_2a:As-F-N-S-Se,64.0,"Invalid WP multiplicities - AB6C5D3E_mP64_7_3a_23a_19a_10a_3a:As-F-N-S-Se, expected As3Se3S10N19F23 to be AsSeS3N5F6" +mp-23112,AsS3(ClF2)3,-4.1338076404,-1.512042118,0.1037110762,0.1037110762,GGA,P-1,AB3C6D3_aP26_2_i_3i_6i_3i:As-Cl-F-S,26.0,"Invalid WP multiplicities - AB3C6D3_aP26_2_i_6i_12i_5i:As-Cl-F-S, expected AsS5(ClF2)6 to be AsS3(ClF2)3" +mp-1234147,MgTi3Fe2Co(PO4)6,-8.1058501241,-2.6859728153,0.1078837023,0.1078837023,GGA+U,P1,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-1234376,MgTi3Fe2Co(PO4)6,-8.1161128316,-2.6962355228,0.0976209947,0.0976209947,GGA+U,P1,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-1234624,MgTi3Fe2Co(PO4)6,-8.0619578686,-2.6420805599,0.1517759577,0.1517759577,GGA+U,P1,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-1234958,MgTi3Fe2Co(PO4)6,-8.0208600911,-2.6009827823,0.1928737352,0.1928737352,GGA+U,P1,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-1233291,MgTi3Fe2Co(PO4)6,-8.0581993451,-2.6383220364,0.1555344812,0.1555344812,GGA+U,R3,AB2CD24E6F3_hR111_146_a_2a_a_8b_2b_3a:Co-Fe-Mg-O-P-Ti,37.0,"Invalid WP multiplicities - AB2CD24E6F3_hR111_146_a_2a_a_20b_2b_3a:Co-Fe-Mg-O-P-Ti, expected MgTi3Fe2Co(PO10)6 to be MgTi3Fe2Co(PO4)6" +mp-1233667,MgTi3Fe2Co(PO4)6,-8.0836248878,-2.6637475791,0.1301089385,0.1301089385,GGA+U,R3,AB2CD24E6F3_hR111_146_a_2a_a_8b_2b_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-2216001,MgTi3Fe2Co(PO4)6,-8.0871217641,-2.6672444553,0.1266120623,0.1266120623,GGA+U,R3,AB2CD24E6F3_hR111_146_a_2a_a_8b_2b_3a:Co-Fe-Mg-O-P-Ti,37.0,"Invalid WP multiplicities - AB2CD24E6F3_hR111_146_a_2a_a_20b_2b_3a:Co-Fe-Mg-O-P-Ti, expected MgTi3Fe2Co(PO10)6 to be MgTi3Fe2Co(PO4)6" +mp-758414,Ti3Fe2Co(PO4)6,-8.2663151431,-2.7403379104,0.0223889599,0.0223889599,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Co-Fe-O-P-Ti, expected Ti3Fe2Co(PO10)6 to be Ti3Fe2Co(PO4)6" +mp-758306,Ti3FeCo2(PO4)6,-8.1728158206,-2.6846636828,0.0619204019,0.0619204019,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Co-Fe-O-P-Ti, expected Ti3FeCo2(PO10)6 to be Ti3FeCo2(PO4)6" +mp-1044294,MgTiCo(PO4)3,-7.8046601106,-2.6822011152,0.055063294,0.055063294,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Co-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Co-Mg-O-P-Ti, expected MgTiCo(PO18)3 to be MgTiCo(PO4)3" +mp-1044282,MgTiFe(PO4)3,-8.0081775919,-2.8100684069,0.0044566879,0.0044566879,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Fe-Mg-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Fe-Mg-O-P-Ti, expected MgTiFe(PO18)3 to be MgTiFe(PO4)3" +mp-1222452,LiBi3(ClO2)2,-5.509272967,-1.8178511248,0.0052836105,-0.0361249571,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Cl-Li-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-Cl-Li-O +mp-754206,LiBi3(ClO2)2,-5.5145565775000005,-1.8231347353,0.0,-0.0414085676,GGA,Cmcm,A3B2CD4_oC40_63_cf_ac_c_h:Bi-Cl-Li-O,20.0,"Invalid WP multiplicities - A3B2CD4_oC40_63_c2f_ac_c_h:Bi-Cl-Li-O, expected LiBi5(ClO2)2 to be LiBi3(ClO2)2" +mp-1236003,LiBi3PbWClO8,-6.419371112,-1.6511568516,0.2365754035,0.2365754035,GGA+U,Pmm2,A3BCD8EF_oP15_25_2bc_c_a_3a2b3d_c_b:Bi-Cl-Li-O-Pb-W,15.0,A3BCD8EF_oP15_25_2bc_c_a_3a2b3d_c_b:Bi-Cl-Li-O-Pb-W +mp-1235925,LiBi3PbWClO8,-6.5404313187,-1.7722170582,0.1155151968,0.1155151968,GGA+U,P4mm,A3BCD8EF_tP15_99_a2b_a_a_2b3c_a_b:Bi-Cl-Li-O-Pb-W,15.0,A3BCD8EF_tP15_99_a2b_a_a_2b3c_a_b:Bi-Cl-Li-O-Pb-W +mp-1236216,LiBi3PbWClO8,-6.423069386,-1.6548551256,0.2328771295,0.2328771295,GGA+U,P4mm,A3BCD8EF_tP15_99_2ab_b_a_2a3c_b_a:Bi-Cl-Li-O-Pb-W,15.0,A3BCD8EF_tP15_99_2ab_b_a_2a3c_b_a:Bi-Cl-Li-O-Pb-W +mp-1236302,LiBi3PbWClO8,-6.4846427907,-1.7164285302,0.1713037248,0.1713037248,GGA+U,P4mm,A3BCD8EF_tP15_99_a2b_a_a_2b3c_a_b:Bi-Cl-Li-O-Pb-W,15.0,A3BCD8EF_tP15_99_a2b_a_a_2b3c_a_b:Bi-Cl-Li-O-Pb-W +mp-2714570,Na4ZnSi2SnSO12,-6.3777599199,-2.3345805342,0.1268728291,0.1268728291,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-S-Si-Sn-Zn,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_14a_60a_a_7a_a_a:Na-O-S-Si-Sn-Zn, expected Na14ZnSi7SnSO60 to be Na4ZnSi2SnSO12" +mp-2713220,Na2ZnSiSn(SO6)2,-6.3926850005,-2.13095614,0.1345052476,0.1345052476,GGA,Cc,A2B12C2DEF_mC228_9_6a_36a_6a_3a_3a_3a:Na-O-S-Si-Sn-Zn,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC228_9_6a_60a_9a_3a_3a_3a:Na-O-S-Si-Sn-Zn, expected Na2ZnSiSnS3O20 to be Na2ZnSiSn(SO6)2" +mp-2714536,Na6ZnSi4Sn3(SO12)2,-6.6120174878,-2.3640596913,0.1219132664,0.1219132664,GGA,P1,A6B24C2D4E3F_aP120_1_18a_72a_6a_12a_9a_3a:Na-O-S-Si-Sn-Zn,120.0,A6B24C2D4E3F_aP120_1_18a_72a_6a_12a_9a_3a:Na-O-S-Si-Sn-Zn +mp-2713863,ZnSn(SO4)3,-6.3737026061,-1.8420008649,0.0,-0.0093849367,GGA,R3c,A12B3CD_hR102_161_4b_b_a_a:O-S-Sn-Zn,102.0,"Invalid WP multiplicities - A12B3CD_hR102_161_12b_b_a_a:O-S-Sn-Zn, expected ZnSn(SO12)3 to be ZnSn(SO4)3" +mp-2714120,Na2Zn3Sn(SO4)6,-6.200091514,-1.9230614711,0.0062631999,0.0062631999,GGA,P3,A2B24C6DE3_hP108_143_2a2b2c_24d_6d_2ab_2a3b4c:Na-O-S-Sn-Zn,108.0,A2B24C6DE3_hP108_143_2a2b2c_24d_6d_2ab_2a3b4c:Na-O-S-Sn-Zn +mp-2713001,ZnSiSn3S5O24,-6.5890946685,-1.9386077388,0.0441268943,0.0441268943,GGA,P1,A24B5CD3E_aP102_1_72a_15a_3a_9a_3a:O-S-Si-Sn-Zn,102.0,A24B5CD3E_aP102_1_72a_15a_3a_9a_3a:O-S-Si-Sn-Zn +mp-2716038,Na6Zn2Si5Sn6S7O48,-6.6093870922,-2.1764834777,0.1264772811,0.1264772811,GGA,P1,A6B48C7D5E6F2_aP222_1_18a_144a_21a_15a_18a_6a:Na-O-S-Si-Sn-Zn,222.0,A6B48C7D5E6F2_aP222_1_18a_144a_21a_15a_18a_6a:Na-O-S-Si-Sn-Zn +mp-2714866,Na10Zn6Si3Sn2(S3O16)3,-6.1990023966,-2.0996700974,0.112284095,0.112284095,GGA,P1,A10B48C9D3E2F6_aP234_1_30a_144a_27a_9a_6a_18a:Na-O-S-Si-Sn-Zn,234.0,A10B48C9D3E2F6_aP234_1_30a_144a_27a_9a_6a_18a:Na-O-S-Si-Sn-Zn +mp-2714158,Na14Zn5Si6Sn3(SO8)6,-6.2846497774,-2.2400832744,0.1456624939,0.1456624939,GGA,P1,A14B48C6D6E3F5_aP246_1_42a_144a_18a_18a_9a_15a:Na-O-S-Si-Sn-Zn,246.0,A14B48C6D6E3F5_aP246_1_42a_144a_18a_18a_9a_15a:Na-O-S-Si-Sn-Zn +mp-2712727,Na6Zn6SiSn2S11O48,-6.2056227124,-1.9910270119,0.0446639066,0.0446639066,GGA,P1,A6B48C11DE2F6_aP222_1_18a_144a_33a_3a_6a_18a:Na-O-S-Si-Sn-Zn,222.0,A6B48C11DE2F6_aP222_1_18a_144a_33a_3a_6a_18a:Na-O-S-Si-Sn-Zn +mp-2715065,Na6Zn7Sn(SO4)12,-6.1139134262,-1.9538947042,0.0149787543,0.0149787543,GGA,P1,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-S-Sn-Zn,222.0,A6B48C12DE7_aP222_1_18a_144a_36a_3a_21a:Na-O-S-Sn-Zn +mp-2713751,Na6Zn4Si3Sn4(S3O16)3,-6.4110995574,-2.0873499,0.0819759387,0.0819759387,GGA,P1,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Sn-Zn,222.0,A6B48C9D3E4F4_aP222_1_18a_144a_27a_9a_12a_12a:Na-O-S-Si-Sn-Zn +mp-2715625,Na14Zn4Si7Sn4S5O48,-6.4014876402,-2.307668742,0.1220287966,0.1220287966,GGA,P1,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Zn,246.0,A14B48C5D7E4F4_aP246_1_42a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Zn +mp-1043405,ZnSi4SnO10,-7.5703685336,-2.793026365,0.0908793011,0.0908793011,GGA,P4/ncc,A10B4CD_tP64_130_f2g_g_c_b:O-Si-Sn-Zn,64.0,"Invalid WP multiplicities - A10B4CD_tP64_130_f5g_g_c_b:O-Si-Sn-Zn, expected ZnSi4SnO22 to be ZnSi4SnO10" +mp-2712815,Na2ZnSi2Sn3(SO6)4,-6.6243324156,-2.1229303501,0.0810883234,0.0810883234,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-S-Si-Sn-Zn,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-S-Si-Sn-Zn +mp-2714383,Na2Zn2SiSn2S5O24,-6.4060682021,-2.0168521479,0.0498195243,0.0498195243,GGA,P1,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Sn-Zn,108.0,A2B24C5DE2F2_aP108_1_6a_72a_15a_3a_6a_6a:Na-O-S-Si-Sn-Zn +mp-2716371,Na2Zn2Si3Sn6(S3O16)3,-6.612088217,-2.0382735032,0.0594039502,0.0594039502,GGA,P1,A2B48C9D3E6F2_aP210_1_6a_144a_27a_9a_18a_6a:Na-O-S-Si-Sn-Zn,210.0,A2B48C9D3E6F2_aP210_1_6a_144a_27a_9a_18a_6a:Na-O-S-Si-Sn-Zn +mp-1046967,ZnSi2SnO6,-7.143781649,-2.5637732698,0.0896565425,0.0896565425,GGA,C2/c,A6B2CD_mC40_15_3f_f_e_e:O-Si-Sn-Zn,20.0,A6B2CD_mC40_15_3f_f_e_e:O-Si-Sn-Zn +mp-1041482,ZnSi2SnO6,-7.1342930226,-2.5542846434,0.0991451689,0.0991451689,GGA,Pbca,A6B2CD_oP80_61_6c_2c_c_c:O-Si-Sn-Zn,80.0,"Invalid WP multiplicities - A6B2CD_oP80_61_41c_8c_c_c:O-Si-Sn-Zn, expected ZnSi8SnO41 to be ZnSi2SnO6" +mp-2716020,Na14Zn6Si5Sn2S7O48,-6.1916404092,-2.1963263015,0.1454676965,0.1454676965,GGA,P1,A14B48C7D5E2F6_aP246_1_42a_144a_21a_15a_6a_18a:Na-O-S-Si-Sn-Zn,246.0,A14B48C7D5E2F6_aP246_1_42a_144a_21a_15a_6a_18a:Na-O-S-Si-Sn-Zn +mp-2715050,Na8Zn3Si3Sn(SO8)3,-6.1946386713,-2.2476187238,0.128253609,0.128253609,GGA,P1,A8B24C3D3EF3_aP126_1_24a_72a_9a_9a_3a_9a:Na-O-S-Si-Sn-Zn,126.0,A8B24C3D3EF3_aP126_1_24a_72a_9a_9a_3a_9a:Na-O-S-Si-Sn-Zn +mp-2714090,Na2Zn4SiSn4S11O48,-6.3876928236,-1.9292694357,0.0282764158,0.0282764158,GGA,P1,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Sn-Zn,210.0,A2B48C11DE4F4_aP210_1_6a_144a_33a_3a_12a_12a:Na-O-S-Si-Sn-Zn +mp-2716367,Na10Zn3Si6Sn5(SO8)6,-6.5034247061,-2.2487579297,0.1437727792,0.1437727792,GGA,P1,A10B48C6D6E5F3_aP234_1_30a_144a_18a_18a_15a_9a:Na-O-S-Si-Sn-Zn,234.0,A10B48C6D6E5F3_aP234_1_30a_144a_18a_18a_15a_9a:Na-O-S-Si-Sn-Zn +mp-1190487,Na2Zn(SnS3)2,-4.3204139964,-0.9801742593,0.0,-0.0061857661,GGA,Fdd2,A2B6C2D_oF88_43_b_3b_b_a:Na-S-Sn-Zn,22.0,A2B6C2D_oF88_43_b_3b_b_a:Na-S-Sn-Zn +mp-2714688,Na6ZnSi6Sn7(SO8)6,-6.7345304994,-2.2470499065,0.1227283124,0.1227283124,GGA,P1,A6B48C6D6E7F_aP222_1_18a_144a_18a_18a_21a_3a:Na-O-S-Si-Sn-Zn,222.0,A6B48C6D6E7F_aP222_1_18a_144a_18a_18a_21a_3a:Na-O-S-Si-Sn-Zn +mp-1256934,Zn3Si4(SnO7)2,-6.9054537624000005,-2.4379194747,0.1622704635,0.1622704635,GGA,C2/c,A14B4C2D3_mC92_15_7f_2f_ae_ef:O-Si-Sn-Zn,46.0,"Invalid WP multiplicities - A14B4C2D3_mC92_15_27f_5f_ae_2e2f:O-Si-Sn-Zn, expected Zn3Si5SnO27 to be Zn3Si4(SnO7)2" +mp-1364038,Zn3Si3(SnO6)2,-6.5642664483,-2.19253679,0.3074768256,0.3074768256,GGA,Ia-3d,A12B3C2D3_cI160_230_h_d_a_c:O-Si-Sn-Zn,80.0,A12B3C2D3_cI160_230_h_d_a_c:O-Si-Sn-Zn +mp-2714918,Na14Zn2Si9Sn6(SO16)3,-6.6094725076,-2.4171488189,0.098175558,0.098175558,GGA,P1,A14B48C3D9E6F2_aP246_1_42a_144a_9a_27a_18a_6a:Na-O-S-Si-Sn-Zn,246.0,A14B48C3D9E6F2_aP246_1_42a_144a_9a_27a_18a_6a:Na-O-S-Si-Sn-Zn +mp-2712651,Na6Zn3Si2Sn(SO6)4,-6.199809583,-2.1537866069,0.1247104858,0.1247104858,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-S-Si-Sn-Zn,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-S-Si-Sn-Zn +mp-2715753,Na8ZnSi5Sn3SO24,-6.6081365473,-2.4687977233,0.0721141552,0.0721141552,GGA,P1,A8B24CD5E3F_aP126_1_24a_72a_3a_15a_9a_3a:Na-O-S-Si-Sn-Zn,126.0,A8B24CD5E3F_aP126_1_24a_72a_3a_15a_9a_3a:Na-O-S-Si-Sn-Zn +mp-2713166,Na4Zn3SiSnS5O24,-6.204891236,-2.0494438598,0.085899316,0.085899316,GGA,P1,A4B24C5DEF3_aP114_1_12a_72a_15a_3a_3a_9a:Na-O-S-Si-Sn-Zn,114.0,A4B24C5DEF3_aP114_1_12a_72a_15a_3a_3a_9a:Na-O-S-Si-Sn-Zn +mp-2716120,Na6Zn2Si3Sn2(SO8)3,-6.3830522534,-2.2360618671,0.1598099613,0.1598099613,GGA,P1,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Zn,120.0,A6B24C3D3E2F2_aP120_1_18a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Zn +mp-2713604,Na4ZnSi3Sn3(SO8)3,-6.6070340668,-2.2390237218,0.1499900191,0.1499900191,GGA,P1,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Zn,114.0,A4B24C3D3E3F_aP114_1_12a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Zn +mp-2714892,Na2Zn5Sn3(SO4)12,-6.2864759329,-1.8857482079,0.001162043,0.001162043,GGA,P1,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-S-Sn-Zn,210.0,A2B48C12D3E5_aP210_1_6a_144a_36a_9a_15a:Na-O-S-Sn-Zn +mp-2714061,Na10Zn2Si7Sn6S5O48,-6.6195940437,-2.3131491082,0.1395737729,0.1395737729,GGA,P1,A10B48C5D7E6F2_aP234_1_30a_144a_15a_21a_18a_6a:Na-O-S-Si-Sn-Zn,234.0,A10B48C5D7E6F2_aP234_1_30a_144a_15a_21a_18a_6a:Na-O-S-Si-Sn-Zn +mp-2714924,Na10Zn4Si5Sn4S7O48,-6.3853687138,-2.1824800964,0.1498584403,0.1498584403,GGA,P1,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Zn,234.0,A10B48C7D5E4F4_aP234_1_30a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Zn +mp-2714200,Na3Ca5Ta(SO4)9,-6.9137163105,-2.4477497305,0.0111684212,0.0111684212,GGA,P3c1,A5B3C36D9E_hP108_158_a2b2c_abc_12d_3d_a:Ca-Na-O-S-Ta,108.0,A5B3C36D9E_hP108_158_a2b2c_abc_12d_3d_a:Ca-Na-O-S-Ta +mp-2714845,Na30Ca20Ta4Si9(S3O16)9,-6.8305300883,-2.5567948318,0.0938352342,0.0938352342,GGA,P1,A20B30C144D27E9F4_aP234_1_20a_30a_144a_27a_9a_4a:Ca-Na-O-S-Si-Ta,234.0,A20B30C144D27E9F4_aP234_1_20a_30a_144a_27a_9a_4a:Ca-Na-O-S-Si-Ta +mp-2716296,Na2Ca4Ta4Si3(S3O16)3,-7.5327166888,-2.5463792365,0.0838513523,0.0838513523,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ca-Na-O-S-Si-Ta,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ca-Na-O-S-Si-Ta +mp-2714203,Na6Ca16Ta8Si3(S11O48)3,-7.2168267577,-2.4549746386,0.0419816857,0.0419816857,GGA,P1,A16B6C144D33E3F8_aP210_1_16a_6a_144a_33a_3a_8a:Ca-Na-O-S-Si-Ta,210.0,A16B6C144D33E3F8_aP210_1_16a_6a_144a_33a_3a_8a:Ca-Na-O-S-Si-Ta +mp-2716145,Na6Ca8Ta16Si15(S7O48)3,-7.8934730641,-2.6826502786,0.080443401,0.080443401,GGA,P1,A8B6C144D21E15F16_aP210_1_8a_6a_144a_21a_15a_16a:Ca-Na-O-S-Si-Ta,210.0,A8B6C144D21E15F16_aP210_1_8a_6a_144a_21a_15a_16a:Ca-Na-O-S-Si-Ta +mp-2714580,Na3CaTaSi2SO12,-7.3132480338,-2.7043328412000003,0.1894565915,0.1894565915,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ca-Na-O-S-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:Ca-Na-O-S-Si-Ta, expected Na13CaTaSi12SO72 to be Na3CaTaSi2SO12" +mp-2713517,Na12Ca10Ta2Si3(S5O24)3,-6.8460366725,-2.5115967875000003,0.1018767528,0.1018767528,GGA,P1,A10B12C72D15E3F2_aP114_1_10a_12a_72a_15a_3a_2a:Ca-Na-O-S-Si-Ta,114.0,A10B12C72D15E3F2_aP114_1_10a_12a_72a_15a_3a_2a:Ca-Na-O-S-Si-Ta +mp-2715691,Na3CaTa5Si6(SO12)3,-8.2352203231,-2.896255225,0.067988187,0.067988187,GGA,Cc,AB3C36D3E6F5_mC216_9_a_3a_36a_3a_6a_5a:Ca-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - AB3C36D3E6F5_mC216_9_a_3a_72a_4a_11a_5a:Ca-Na-O-S-Si-Ta, expected Na3CaTa5Si11(SO18)4 to be Na3CaTa5Si6(SO12)3" +mp-2716046,Na6Ca4Ta4Si5S7O48,-7.4690271957,-2.6458993693,0.1420367987,0.1420367987,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ca-Na-O-S-Si-Ta,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ca-Na-O-S-Si-Ta +mp-2713941,Ca4Ta2(SO4)9,-7.2440927875,-2.4000379406,0.0,-0.0379296712,GGA,P3c1,A4B36C9D2_hP102_158_ab2c_12d_3d_ab:Ca-O-S-Ta,102.0,A4B36C9D2_hP102_158_ab2c_12d_3d_ab:Ca-O-S-Ta +mp-2715197,Na24Ca10Ta2Si9(SO8)9,-6.7551805517,-2.646215001,0.0901967568,0.0901967568,GGA,P1,A10B24C72D9E9F2_aP126_1_10a_24a_72a_9a_9a_2a:Ca-Na-O-S-Si-Ta,126.0,A10B24C72D9E9F2_aP126_1_10a_24a_72a_9a_9a_2a:Ca-Na-O-S-Si-Ta +mp-2713480,Ca2Ta4Si3(SO6)6,-7.9108712283,-2.6046406955,0.0697854368,0.0697854368,GGA,Cc,A2B36C6D3E4_mC204_9_2a_36a_6a_3a_4a:Ca-O-S-Si-Ta,102.0,"Invalid WP multiplicities - A2B36C6D3E4_mC204_9_2a_60a_9a_4a_4a:Ca-O-S-Si-Ta, expected Ca2Ta4Si4(S3O20)3 to be Ca2Ta4Si3(SO6)6" +mp-2714553,Na12Ca4Ta2Si6(SO12)3,-7.0225529429,-2.7265162812,0.1069838248,0.1069838248,GGA,Cc,A4B12C36D3E6F2_mC252_9_4a_12a_36a_3a_6a_2a:Ca-Na-O-S-Si-Ta,126.0,"Invalid WP multiplicities - A4B12C36D3E6F2_mC252_9_4a_18a_60a_4a_9a_2a:Ca-Na-O-S-Si-Ta, expected Na18Ca4Ta2Si9(SO15)4 to be Na12Ca4Ta2Si6(SO12)3" +mp-2715882,Na10Ca4Ta4Si7S5O48,-7.3571515714,-2.6804939219,0.1863675229,0.1863675229,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ca-Na-O-S-Si-Ta,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ca-Na-O-S-Si-Ta +mp-2715202,Na9Ca11Ta(SO4)18,-6.7486277927,-2.4563774435,0.0263153525,0.0263153525,GGA,P1,A11B9C72D18E_aP111_1_11a_9a_72a_18a_a:Ca-Na-O-S-Ta,111.0,A11B9C72D18E_aP111_1_11a_9a_72a_18a_a:Ca-Na-O-S-Ta +mp-2715745,Na8Ca2Ta2Si5SO24,-7.3186341456,-2.8355263728,0.0931099032,0.0931099032,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ca-Na-O-S-Si-Ta,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ca-Na-O-S-Si-Ta +mp-2714422,Na42Ca8Ta16Si33(SO48)3,-7.6727433258,-2.9366322589,0.0730200803,0.0730200803,GGA,P1,A8B42C144D3E33F16_aP246_1_8a_42a_144a_3a_33a_16a:Ca-Na-O-S-Si-Ta,246.0,A8B42C144D3E33F16_aP246_1_8a_42a_144a_3a_33a_16a:Ca-Na-O-S-Si-Ta +mp-2713703,Na4Ca2Ta2Si3(SO8)3,-7.3869609927,-2.6389954939,0.1968884339,0.1968884339,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ca-Na-O-S-Si-Ta,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ca-Na-O-S-Si-Ta +mp-2715644,Na6Ca4Ta20Si21(S5O48)3,-8.2785284626,-2.8432203438,0.0490358632,0.0490358632,GGA,P1,A4B6C144D15E21F20_aP210_1_4a_6a_144a_15a_21a_20a:Ca-Na-O-S-Si-Ta,210.0,A4B6C144D15E21F20_aP210_1_4a_6a_144a_15a_21a_20a:Ca-Na-O-S-Si-Ta +mp-2716300,Na30Ca4Ta20Si33(SO48)3,-8.1023873965,-3.022807354,0.0530210622,0.0530210622,GGA,P1,A4B30C144D3E33F20_aP234_1_4a_30a_144a_3a_33a_20a:Ca-Na-O-S-Si-Ta,234.0,A4B30C144D3E33F20_aP234_1_4a_30a_144a_3a_33a_20a:Ca-Na-O-S-Si-Ta +mp-2714034,Na7Ca3TaSi3(SO8)3,-6.8944978837,-2.6374713694,0.1313293535,0.1313293535,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ca-Na-O-S-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ca-Na-O-S-Si-Ta +mp-2712757,NaCaTaSi(SO6)2,-7.4388985786,-2.5364327396,0.1768327888,0.1768327888,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ca-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_72a_10a_3a_3a:Ca-Na-O-S-Si-Ta, expected Na3Ca3Ta3Si3(S5O36)2 to be NaCaTaSi(SO6)2" +mp-2712645,Na6Ca2Ta4Si6(SO12)3,-7.7821407539,-2.8274124482,0.1194323187,0.1194323187,GGA,P3c1,A2B6C36D3E6F4_hP114_158_ab_abcd_12d_d_2d_ab2c:Ca-Na-O-S-Si-Ta,114.0,A2B6C36D3E6F4_hP114_158_ab_abcd_12d_d_2d_ab2c:Ca-Na-O-S-Si-Ta +mp-2715022,Na30Ca16Ta8Si15(S7O48)3,-7.1120029048,-2.6368064518,0.1219393036,0.1219393036,GGA,P1,A16B30C144D21E15F8_aP234_1_16a_30a_144a_21a_15a_8a:Ca-Na-O-S-Si-Ta,234.0,A16B30C144D21E15F8_aP234_1_16a_30a_144a_21a_15a_8a:Ca-Na-O-S-Si-Ta +mp-2713442,Na6Ca4Ta8Si9(SO8)9,-7.8522007409,-2.7314852724,0.1072691978,0.1072691978,GGA,P1,A4B6C72D9E9F8_aP108_1_4a_6a_72a_9a_9a_8a:Ca-Na-O-S-Si-Ta,108.0,A4B6C72D9E9F8_aP108_1_4a_6a_72a_9a_9a_8a:Ca-Na-O-S-Si-Ta +mp-2714911,Na9Ca5Ta7Si9(SO8)9,-7.6105719667,-2.6812686447000003,0.1646538605,0.1646538605,GGA,P1,A5B9C72D9E9F7_aP111_1_5a_9a_72a_9a_9a_7a:Ca-Na-O-S-Si-Ta,111.0,A5B9C72D9E9F7_aP111_1_5a_9a_72a_9a_9a_7a:Ca-Na-O-S-Si-Ta +mp-2714770,NaCa3Ta(SO4)6,-7.067340776,-2.4177313236,0.0125878685,0.0125878685,GGA,P3,A3BC24D6E_hP105_143_3a2b4c_a2c_24d_6d_a2b:Ca-Na-O-S-Ta,105.0,A3BC24D6E_hP105_143_3a2b4c_a2c_24d_6d_a2b:Ca-Na-O-S-Ta +mp-2715815,Na42Ca16Ta8Si21(S5O48)3,-7.0311769043,-2.6783334795,0.1386375666,0.1386375666,GGA,P1,A16B42C144D15E21F8_aP246_1_16a_42a_144a_15a_21a_8a:Ca-Na-O-S-Si-Ta,246.0,A16B42C144D15E21F8_aP246_1_16a_42a_144a_15a_21a_8a:Ca-Na-O-S-Si-Ta +mp-2712868,Na18Ca8Ta16Si21(S5O48)3,-7.8025945136,-2.7671156963,0.1365421875,0.1365421875,GGA,P1,A8B18C144D15E21F16_aP222_1_8a_18a_144a_15a_21a_16a:Ca-Na-O-S-Si-Ta,222.0,A8B18C144D15E21F16_aP222_1_8a_18a_144a_15a_21a_16a:Ca-Na-O-S-Si-Ta +mp-2713671,Na6Ca4Ta2Si3(SO6)6,-7.1575535866,-2.6163508947,0.1085721939,0.1085721939,GGA,P3c1,A4B6C36D6E3F2_hP114_158_ab2c_abcd_12d_2d_d_ab:Ca-Na-O-S-Si-Ta,114.0,A4B6C36D6E3F2_hP114_158_ab2c_abcd_12d_2d_d_ab:Ca-Na-O-S-Si-Ta +mp-2712788,Na9Ca5TaSi3(SO6)6,-6.8045487073,-2.5884828478,0.0969816439,0.0969816439,GGA,Cc,A5B9C36D6E3F_mC240_9_5a_9a_36a_6a_3a_a:Ca-Na-O-S-Si-Ta,120.0,"Invalid WP multiplicities - A5B9C36D6E3F_mC240_9_5a_12a_60a_9a_4a_a:Ca-Na-O-S-Si-Ta, expected Na12Ca5TaSi4(S3O20)3 to be Na9Ca5TaSi3(SO6)6" +mp-2713034,Na18Ca4Ta20Si27(SO16)9,-8.1946125869,-2.9467827787000003,0.0723458621,0.0723458621,GGA,P1,A4B18C144D9E27F20_aP222_1_4a_18a_144a_9a_27a_20a:Ca-Na-O-S-Si-Ta,222.0,A4B18C144D9E27F20_aP222_1_4a_18a_144a_9a_27a_20a:Ca-Na-O-S-Si-Ta +mp-2714877,Na14Ca4Ta4Si9(SO16)3,-7.3497826519,-2.8053054061,0.1080062866,0.1080062866,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ca-Na-O-S-Si-Ta,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ca-Na-O-S-Si-Ta +mp-2716141,Na18Ca8Ta4Si9(SO8)9,-7.0427855099,-2.6302949839,0.160582305,0.160582305,GGA,P1,A8B18C72D9E9F4_aP120_1_8a_18a_72a_9a_9a_4a:Ca-Na-O-S-Si-Ta,120.0,A8B18C72D9E9F4_aP120_1_8a_18a_72a_9a_9a_4a:Ca-Na-O-S-Si-Ta +mp-2713867,NaCaTa3Si3(SO8)3,-8.0758434206,-2.7527779685,0.0748969749,0.0748969749,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-S-Si-Ta,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-S-Si-Ta +mp-2716083,Na42Ca20Ta4Si15(S7O48)3,-6.7766498837,-2.61544028,0.0989841797,0.0989841797,GGA,P1,A20B42C144D21E15F4_aP246_1_20a_42a_144a_21a_15a_4a:Ca-Na-O-S-Si-Ta,246.0,A20B42C144D21E15F4_aP246_1_20a_42a_144a_21a_15a_4a:Ca-Na-O-S-Si-Ta +mp-2714487,Na6Ca8Ta4Si3(S5O24)3,-7.1917346844,-2.507518475,0.0801723739,0.0801723739,GGA,P1,A8B6C72D15E3F4_aP108_1_8a_6a_72a_15a_3a_4a:Ca-Na-O-S-Si-Ta,108.0,A8B6C72D15E3F4_aP108_1_8a_6a_72a_15a_3a_4a:Ca-Na-O-S-Si-Ta +mp-2713770,Na18Ca4Ta8Si15(SO24)3,-7.7078684753,-2.9025286161,0.0900099792,0.0900099792,GGA,P1,A4B18C72D3E15F8_aP120_1_4a_18a_72a_3a_15a_8a:Ca-Na-O-S-Si-Ta,120.0,A4B18C72D3E15F8_aP120_1_4a_18a_72a_3a_15a_8a:Ca-Na-O-S-Si-Ta +mp-2713722,Na18Ca16Ta8Si9(S3O16)9,-7.1633350875,-2.5525582519,0.1132805673,0.1132805673,GGA,P1,A16B18C144D27E9F8_aP222_1_16a_18a_144a_27a_9a_8a:Ca-Na-O-S-Si-Ta,222.0,A16B18C144D27E9F8_aP222_1_16a_18a_144a_27a_9a_8a:Ca-Na-O-S-Si-Ta +mp-2715009,Na12Ca2Ta10Si15(SO24)3,-8.1498577067,-2.988366594,0.0668067453,0.0668067453,GGA,P1,A2B12C72D3E15F10_aP114_1_2a_12a_72a_3a_15a_10a:Ca-Na-O-S-Si-Ta,114.0,A2B12C72D3E15F10_aP114_1_2a_12a_72a_3a_15a_10a:Ca-Na-O-S-Si-Ta +mp-2713147,Na15Ca7Ta5Si9(SO8)9,-7.224289629,-2.6483625777,0.1644410224,0.1644410224,GGA,P1,A7B15C72D9E9F5_aP117_1_7a_15a_72a_9a_9a_5a:Ca-Na-O-S-Si-Ta,117.0,A7B15C72D9E9F5_aP117_1_7a_15a_72a_9a_9a_5a:Ca-Na-O-S-Si-Ta +mp-2713091,Ca2Ta2SiS5O24,-7.5528157064,-2.4776730165,0.0595590199,0.0595590199,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ca-O-S-Si-Ta,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ca-O-S-Si-Ta +mp-2713783,Ca2Ta10Si9(SO8)9,-8.3175579392,-2.7802395633,0.0313806648,0.0313806648,GGA,P1,A2B72C9D9E10_aP102_1_2a_72a_9a_9a_10a:Ca-O-S-Si-Ta,102.0,A2B72C9D9E10_aP102_1_2a_72a_9a_9a_10a:Ca-O-S-Si-Ta +mp-2714201,Na30Ca8Ta16Si27(SO16)9,-7.7418284973,-2.8637096513,0.1087027103,0.1087027103,GGA,P1,A8B30C144D9E27F16_aP234_1_8a_30a_144a_9a_27a_16a:Ca-Na-O-S-Si-Ta,234.0,A8B30C144D9E27F16_aP234_1_8a_30a_144a_9a_27a_16a:Ca-Na-O-S-Si-Ta +mp-2713705,Na18Ca20Ta4Si3(S11O48)3,-6.8849189925,-2.4864931478,0.0572483226,0.0572483226,GGA,P1,A20B18C144D33E3F4_aP222_1_20a_18a_144a_33a_3a_4a:Ca-Na-O-S-Si-Ta,222.0,A20B18C144D33E3F4_aP222_1_20a_18a_144a_33a_3a_4a:Ca-Na-O-S-Si-Ta +mp-2714506,Na6La3NbSi4(SO12)2,-7.3896835142,-2.8512040382,0.1212078277,0.1212078277,GGA,P1,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:La-Na-Nb-O-S-Si,120.0,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:La-Na-Nb-O-S-Si +mp-2712700,Na2LaNbSi2SO12,-7.6170852271,-2.7734161116,0.1971681421,0.1971681421,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:La-Na-Nb-O-S-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:La-Na-Nb-O-S-Si, expected Na2LaNbSi12SO72 to be Na2LaNbSi2SO12" +mp-2713082,Na6La2Nb6Si9(SO16)3,-7.9615484341,-2.8656934852,0.1104845867,0.1104845867,GGA,P1,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:La-Na-Nb-O-S-Si,222.0,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:La-Na-Nb-O-S-Si +mp-2716313,Na10La2Nb6Si11SO48,-7.8813534125,-2.9459546469,0.0804655607,0.0804655607,GGA,P1,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:La-Na-Nb-O-S-Si,234.0,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:La-Na-Nb-O-S-Si +mp-2713048,Na6La4Nb4Si7S5O48,-7.7383096946,-2.8168916672,0.111241167,0.111241167,GGA,P1,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:La-Na-Nb-O-S-Si,222.0,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:La-Na-Nb-O-S-Si +mp-1211629,La2Nb3(SO4)2,-8.9556507648,-3.0874948479,0.0293164708,0.0293164708,GGA,Pnnm,A2B3C8D2_oP60_58_2g_eh_2g3h_2g:La-Nb-O-S,60.0,A2B3C8D2_oP60_58_2g_eh_2g3h_2g:La-Nb-O-S +mp-2713838,Na6La2Nb2Si5SO24,-7.6005483138,-2.9007146854,0.1070486249,0.1070486249,GGA,P1,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:La-Na-Nb-O-S-Si,120.0,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:La-Na-Nb-O-S-Si +mp-2714214,Na10La4Nb4Si9(SO16)3,-7.6020664213,-2.8321590941,0.1580032218,0.1580032218,GGA,P1,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:La-Na-Nb-O-S-Si,234.0,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:La-Na-Nb-O-S-Si +mp-2715389,Na6LaNb3(SiO4)6,-7.8547156141,-2.9935278332,0.0495869214,0.0495869214,GGA,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:La-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB6C3D24E6_aP40_1_a_12a_6a_48a_12a:La-Na-Nb-O-Si, expected Na12LaNb6(SiO4)12 to be Na6LaNb3(SiO4)6" +mp-2715455,Na6LaNb3(SiO4)6,-7.8451293671,-2.9839415862000003,0.0591731684,0.0591731684,GGA,P1,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:La-Na-Nb-O-Si,120.0,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:La-Na-Nb-O-Si +mp-28507,La8Nb7S22,-7.4934234281,-2.0556102067,0.0,-0.0650502153,GGA,Ccc2,A8B7C22_oC148_37_4d_c3d_11d:La-Nb-S,74.0,"Invalid WP multiplicities - A8B7C22_oC148_37_4d_c3d_12d:La-Nb-S, expected La8Nb7S24 to be La8Nb7S22" +mp-2713869,Na2La3Nb5Si6(SO8)6,-7.9155508634,-2.7331042545,0.1116542578,0.1116542578,GGA,P1,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:La-Na-Nb-O-S-Si,210.0,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:La-Na-Nb-O-S-Si +mp-2715637,Na8La3NbSi5SO24,-7.3202898538,-2.904263716,0.0922396611,0.0922396611,GGA,P1,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:La-Na-Nb-O-S-Si,126.0,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:La-Na-Nb-O-S-Si +mp-2716462,Na4LaNb(SiO4)3,-7.5015619575,-2.9318651982,0.1020495827,0.1020495827,GGA,R3c,AB4CD12E3_hR126_161_a_ab_a_4b_b:La-Na-Nb-O-Si,126.0,"Invalid WP multiplicities - AB4CD12E3_hR126_161_a_ab_a_12b_b:La-Na-Nb-O-Si, expected Na4LaNb(SiO12)3 to be Na4LaNb(SiO4)3" +mp-2715914,Na6La6Nb2Si5S7O48,-7.4851717208,-2.738190615,0.1377212575,0.1377212575,GGA,P1,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:La-Na-Nb-O-S-Si,222.0,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:La-Na-Nb-O-S-Si +mp-2715126,Na4LaNb3Si5SO24,-7.9260880001,-2.9125724084,0.0957492419,0.0957492419,GGA,P1,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:La-Na-Nb-O-S-Si,114.0,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:La-Na-Nb-O-S-Si +mp-2715973,Na10La6Nb2Si7S5O48,-7.4263947976,-2.8219789088,0.1314136361,0.1314136361,GGA,P1,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:La-Na-Nb-O-S-Si,234.0,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:La-Na-Nb-O-S-Si +mp-2714829,Na6La5Nb3Si6(SO8)6,-7.5915499193,-2.7573503527,0.1467598627,0.1467598627,GGA,P1,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:La-Na-Nb-O-S-Si,222.0,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:La-Na-Nb-O-S-Si +mp-2715600,Na2LaNb3Si4(SO12)2,-8.0127533081,-2.8299845932,0.1027182369,0.1027182369,GGA,P1,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:La-Na-Nb-O-S-Si,108.0,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:La-Na-Nb-O-S-Si +mp-2713700,Na4La3NbSi3(SO8)3,-7.4616031342,-2.787780495,0.1278911962,0.1278911962,GGA,P1,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:La-Na-Nb-O-S-Si,114.0,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:La-Na-Nb-O-S-Si +mp-2712988,Na14La3Nb5(SiO4)12,-7.6707970383,-2.9589095368,0.0828407898,0.0828407898,GGA,P1,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:La-Na-Nb-O-Si,246.0,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:La-Na-Nb-O-Si +mp-2713486,Na10La7NbSi6(SO8)6,-7.3382823454,-2.8166121758,0.110028095,0.110028095,GGA,P1,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:La-Na-Nb-O-S-Si,234.0,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:La-Na-Nb-O-S-Si +mp-2715785,Na2La2Nb6Si7S5O48,-8.0539677721,-2.7793187904,0.0837423901,0.0837423901,GGA,P1,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:La-Na-Nb-O-S-Si,210.0,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:La-Na-Nb-O-S-Si +mp-2712664,Na2La3NbSi2(SO6)4,-7.5497517087,-2.7255477771,0.1083953978,0.1083953978,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:La-Na-Nb-O-S-Si,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:La-Na-Nb-O-S-Si +mp-2713390,Na2La2Nb2Si3(SO8)3,-7.7045763966,-2.7010900733,0.1822329292,0.1822329292,GGA,P1,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:La-Na-Nb-O-S-Si,108.0,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:La-Na-Nb-O-S-Si +mp-2713042,La3NbSiS5O24,-7.636688548,-2.6444114072,0.0505727826,0.0505727826,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:La-Nb-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:La-Nb-O-S-Si +mp-2716398,Na2La6Nb2Si3(S3O16)3,-7.5975980243,-2.6917585339,0.0833119547,0.0833119547,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:La-Na-Nb-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:La-Na-Nb-O-S-Si +mp-2714526,Na14La4Nb4Si11SO48,-7.5851379759,-2.951959817,0.0708720258,0.0708720258,GGA,P1,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:La-Na-Nb-O-S-Si,246.0,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:La-Na-Nb-O-S-Si +mp-2716127,Na2La4Nb4Si5S7O48,-7.7774623303,-2.6872180942,0.1392377499,0.1392377499,GGA,P1,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:La-Na-Nb-O-S-Si,210.0,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:La-Na-Nb-O-S-Si +mp-2713910,LaNb3Si3(SO8)3,-8.0757647343,-2.7038307641,0.0665173534,0.0665173534,GGA,P1,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:La-Nb-O-S-Si,102.0,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:La-Nb-O-S-Si +mp-2714935,Na14La6Nb2Si9(SO16)3,-7.3493790674,-2.8736195939,0.1113752813,0.1113752813,GGA,P1,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:La-Na-Nb-O-S-Si,246.0,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:La-Na-Nb-O-S-Si +mp-2713430,LaNbSi(SO6)2,-7.8100997722,-2.6279942166,0.1046719371,0.1046719371,GGA,Cc,ABC12D2E_mC204_9_3a_3a_36a_6a_3a:La-Nb-O-S-Si,102.0,"Invalid WP multiplicities - ABC12D2E_mC204_9_3a_3a_60a_9a_3a:La-Nb-O-S-Si, expected LaNbSiS3O20 to be LaNbSi(SO6)2" +mp-2713533,Na10LaNb7(SiO4)12,-8.0210297503,-3.0028852654,0.041663888,0.041663888,GGA,P1,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:La-Na-Nb-O-Si,234.0,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:La-Na-Nb-O-Si +mp-1217903,TaMo2C3,-10.256498625,-0.0506529038,0.1973981104,0.1973981104,GGA,P-3m1,A3B2C_hP6_164_ad_d_b:C-Mo-Ta,6.0,A3B2C_hP6_164_ad_d_b:C-Mo-Ta +mp-1232377,TiBC,-8.4245630617,-0.490046635,0.3074748037,0.3074748037,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Ti,6.0,ABC_hP6_194_c_d_a:B-C-Ti +mp-1224546,Hf9B2Mo3,-9.7960510564,-0.1167342606,0.1566084589,0.1566084589,GGA,P6_3/mmc,A2B9C3_hP28_194_ac_hk_h:B-Hf-Mo,28.0,A2B9C3_hP28_194_ac_hk_h:B-Hf-Mo +mp-18024,Hf9BMo4,-10.1568862968,-0.1799796196,0.0027119304,0.0027119304,GGA,P6_3/mmc,AB9C4_hP28_194_c_hk_ah:B-Hf-Mo,28.0,"Invalid WP multiplicities - AB9C4_hP28_194_c_h2k_ah:B-Hf-Mo, expected Hf15BMo4 to be Hf9BMo4" +mp-1224259,HfTiMo4,-10.2850061483,-0.0791259006,0.0722233004,0.0722233004,GGA,F-43m,AB4C_cF24_216_a_e_c:Hf-Mo-Ti,6.0,AB4C_cF24_216_a_e_c:Hf-Mo-Ti +mp-1232375,HfBC,-8.8965578717,-0.2748091072,0.5470924237,0.5470924237,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Hf,6.0,ABC_hP6_194_c_d_a:B-C-Hf +mp-1217095,Ti3B4Mo,-8.4872777563,-0.8310661008,0.0015576596,0.0015576596,GGA,Pm,A4BC3_mP8_6_2a2b_a_a2b:B-Mo-Ti,8.0,A4BC3_mP8_6_2a2b_a_a2b:B-Mo-Ti +mp-1232383,HfTaTiB4MoC4,-8.7252815213,-0.0429200346,0.6142410296,0.6142410296,GGA,P-1,A4B4CDEF_aP24_2_4i_4i_af_bc_dh_eg:B-C-Hf-Mo-Ta-Ti,24.0,"Invalid WP multiplicities - A4B4CDEF_aP24_2_7i_7i_af_bc_dh_eg:B-C-Hf-Mo-Ta-Ti, expected HfTaTiB7MoC7 to be HfTaTiB4MoC4" +mp-1217026,TiB4Mo,-8.2600636517,-0.6836121167,0.0600825908,0.0600825908,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Mo-Ti,6.0,A4BC_hP6_191_h_a_b:B-Mo-Ti +mp-1238820,TaBC,-9.0922078617,0.1630704361,0.7099635615000001,0.7099635615000001,GGA,P6_3/mmc,ABC_hP6_194_c_d_a:B-C-Ta,6.0,ABC_hP6_194_c_d_a:B-C-Ta +mp-1006594,Ta36B4C35,-10.8381092724,-0.4834312191,0.0950195626,0.0950195626,GGA,Cm,A4B35C36_mC150_8_4a_35a_36a:B-C-Ta,75.0,A4B35C36_mC150_8_4a_35a_36a:B-C-Ta +mp-1216711,TiMoC2,-9.6983827575,-0.3987644796,0.0479722066,0.0479722066,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Mo-Ti,4.0,A2BC_hR12_166_c_a_b:C-Mo-Ti +mp-1217965,TaB2Mo,-9.6788093,-0.6632564796,0.0,-0.0057019825,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Mo-Ta,4.0,A2BC_oC8_38_ab_a_b:B-Mo-Ta +mp-1217082,Ti3B4Mo3,-8.961476871,-0.6673775247,0.024923913,0.024923913,GGA,Amm2,A4B3C3_oC20_38_2ad_be_bd:B-Mo-Ti,10.0,A4B3C3_oC20_38_2ad_be_bd:B-Mo-Ti +mp-1096034,TaTiMo2,-6.028352555,4.3327899117,4.4354598086,4.4354598086,GGA,Immm,A2BC_oI8_71_e_a_b:Mo-Ta-Ti,4.0,A2BC_oI8_71_e_a_b:Mo-Ta-Ti +mp-1217028,TiB2Mo,-8.84012547,-0.8151440529,0.0,-0.0233927075,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Mo-Ti,4.0,A2BC_oC8_38_ab_a_b:B-Mo-Ti +mp-1217919,TaMoC2,-10.4704215025,-0.1802318213,0.1496388266,0.1496388266,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Mo-Ta,4.0,A2BC_hR12_166_c_a_b:C-Mo-Ta +mp-1079659,Ta(BMo)2,-9.836757136,-0.4551848577,0.075420326,0.075420326,GGA,P4/mbm,A2B2C_tP10_127_g_h_a:B-Mo-Ta,10.0,A2B2C_tP10_127_g_h_a:B-Mo-Ta +mp-1095764,HfTaMo2,-6.4611028025,4.4154639175,4.54432045,4.54432045,GGA,Immm,AB2C_oI8_71_a_e_b:Hf-Mo-Ta,4.0,AB2C_oI8_71_a_e_b:Hf-Mo-Ta +mp-1093919,Ta2TiMo,-6.06028701,4.5538873367,4.6074735992,4.6074735992,GGA,Immm,AB2C_oI8_71_a_e_b:Mo-Ta-Ti,4.0,AB2C_oI8_71_a_e_b:Mo-Ta-Ti +mp-1217964,TaB2Mo3C2,-9.93617448,-0.4098191692,0.0062335645,0.0062335645,GGA,Amm2,A2B2C3D_oC16_38_ab_ab_a2b_a:B-C-Mo-Ta,8.0,A2B2C3D_oC16_38_ab_ab_a2b_a:B-C-Mo-Ta +mp-1224308,HfMoC2,-10.1619019575,-0.3468594262,0.1647840241,0.1647840241,GGA,P4/mmm,A2BC_tP4_123_ad_b_c:C-Hf-Mo,4.0,A2BC_tP4_123_ad_b_c:C-Hf-Mo +mp-2714913,Na10Ca4In4Si3(S3O16)3,-6.4788978157,-2.3353151438,0.1127150644,0.1127150644,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-In-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-In-Na-O-S-Si +mp-2716119,Na14Ca4In4Si5S7O48,-6.4519810921000005,-2.4145751664,0.1113075728,0.1113075728,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-In-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-In-Na-O-S-Si +mp-2713288,Na6Ca4In4SiS11O48,-6.5280068309,-2.2667688456,0.0404141866,0.0404141866,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-In-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-In-Na-O-S-Si +mp-2714260,Na7CaIn3Si3(SO8)3,-6.4363501054,-2.3650291083,0.115035811,0.115035811,GGA,P1,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-In-Na-O-S-Si,123.0,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-In-Na-O-S-Si +mp-2714098,NaCaIn(SO4)3,-6.5427365661,-2.2177686195,0.0129932275,0.0129932275,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Ca-In-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Ca-In-Na-O-S, expected NaCaIn(SO12)3 to be NaCaIn(SO4)3" +mp-2713130,Na4Ca2In2SiS5O24,-6.511606922,-2.3107446897,0.0688373602,0.0688373602,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-In-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-In-Na-O-S-Si +mp-2715051,Na3Ca3In(SO4)6,-6.5717060807,-2.3480496612,0.0220089629,0.0220089629,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-In-Na-O-S,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-In-Na-O-S +mp-2714691,NaCaIn3(SO4)6,-6.4993379860000005,-2.0672692822,0.0162359719,0.0162359719,GGA,P3,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-In-Na-O-S,105.0,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-In-Na-O-S +mp-2715207,Na8Ca2In2Si3(SO8)3,-6.4314444992,-2.44333492,0.1070969015,0.1070969015,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-In-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-In-Na-O-S-Si +mp-2712755,Na3CaInSi(SO6)2,-6.4638323161,-2.3746652266,0.1132644038,0.1132644038,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ca-In-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Ca-In-Na-O-S-Si, expected Na4CaInSiS3O20 to be Na3CaInSi(SO6)2" +mp-14052,Ca3In2(SiO4)3,-7.435495558,-3.0776762717,0.0083784068,0.0083784068,GGA,Ia-3d,A3B2C12D3_cI160_230_c_a_h_d:Ca-In-O-Si,80.0,A3B2C12D3_cI160_230_c_a_h_d:Ca-In-O-Si +mp-2713693,Na4CaSn3(PO4)6,-7.0888063373,-2.6013126339,0.0290633364,0.0290633364,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Sn,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Sn +mp-2715532,Na7Ca2SiSn2P5O24,-6.8799487164,-2.6726223711,0.0676640238,0.0676640238,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Sn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Sn +mp-2714465,Na4CaSiSn(PO6)2,-6.8043333925,-2.6654067027,0.078100556,0.078100556,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Ca-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Ca-Na-O-P-Si-Sn, expected Na6CaSiSnP3O20 to be Na4CaSiSn(PO6)2" +mp-1221212,Na4Ca2SnP4,-3.7897871595,-0.6112341763,0.0040315047,0.0040315047,GGA,Cc,A2B4C4D_mC44_9_2a_4a_4a_a:Ca-Na-P-Sn,22.0,"Invalid WP multiplicities - A2B4C4D_mC44_9_4a_7a_7a_a:Ca-Na-P-Sn, expected Na7Ca4SnP7 to be Na4Ca2SnP4" +mp-2715170,Na7CaSi3Sn3(PO8)3,-6.8829348886,-2.6261450550000003,0.0593541239,0.0593541239,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Sn,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Sn +mp-2715243,Na3CaSn(PO4)3,-6.9541811485,-2.675035165,0.0443656998,0.0443656998,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Ca-Na-O-P-Sn,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Ca-Na-O-P-Sn, expected Na3CaSn(PO5)6 to be Na3CaSn(PO4)3" +mp-2715509,Na3CaSn(PO4)3,-6.9508396273,-2.6716936438000003,0.047707221,0.047707221,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Ca-Na-O-P-Sn,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Ca-Na-O-P-Sn, expected Na14Ca3Sn3(PO4)18 to be Na3CaSn(PO4)3" +mp-2714041,Na14Ca5Sn3(PO4)12,-6.9045424532,-2.721947852,0.0387084517,0.0387084517,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Sn,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Sn +mp-2713528,Na10Ca3Sn5(PO4)12,-7.0155580578,-2.6349093389,0.0411204234,0.0411204234,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Sn,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Sn +mp-2715269,Na6CaSi2Sn3(PO6)4,-6.949798275,-2.6199522159,0.0603178249,0.0603178249,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Ca-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Ca-Na-O-P-Si-Sn, expected Na12CaSi4Sn6(PO6)8 to be Na6CaSi2Sn3(PO6)4" +mp-2715348,Na6CaSi2Sn3(PO6)4,-6.9541825258,-2.6243364667,0.0559335742,0.0559335742,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Sn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Sn +mp-2715088,Na8Ca3Sn(PO4)6,-6.8524704494,-2.7618295457,0.0356152816,0.0356152816,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Sn,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Sn +mp-2716096,Na5CaSiSn3P5O24,-7.0189206314,-2.6122718738,0.0436907994,0.0436907994,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Sn,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Sn +mp-2715800,Na8CaSi4Sn3(PO12)2,-6.8223230135,-2.6351105374,0.0486062426,0.0486062426,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Sn,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Sn +mp-2714767,Na6CaSn7(PO4)12,-7.16377495,-2.5636608575,0.0185935482,0.0185935482,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Sn,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Sn +mp-1096024,LaMgIn2,-1.5205598675,1.4893537862,1.8732434971,1.8732434971,GGA,Immm,A2BC_oI8_71_e_a_b:In-La-Mg,4.0,A2BC_oI8_71_e_a_b:In-La-Mg +mp-1093987,La2MgIn,-1.5057427250000002,2.0502517725,2.3609794108,2.3609794108,GGA,Immm,AB2C_oI8_71_a_e_b:In-La-Mg,4.0,AB2C_oI8_71_a_e_b:In-La-Mg +mp-684983,Ba3LaIn(WO6)2,-7.9877606332,-2.7919111253,0.0664396474,0.0664396474,GGA+U,R3m,A3BCD12E2_hR57_160_3a_a_a_4b_2a:Ba-In-La-O-W,19.0,A3BCD12E2_hR57_160_3a_a_a_4b_2a:Ba-In-La-O-W +mp-631430,LaInW,-6.0294239067,0.8525164483000001,1.1891606333,1.1891606333,GGA,F-43m,ABC_cF12_216_a_b_c:In-La-W,3.0,ABC_cF12_216_a_b_c:In-La-W +mp-2230108,Ba3LaMgIn(WO6)2,-7.737441507,-2.7213704720000003,0.1578687618,0.1578687618,GGA+U,R3m,A3BCDE12F2_hR60_160_3a_a_a_a_4b_2a:Ba-In-La-Mg-O-W,20.0,A3BCDE12F2_hR60_160_3a_a_a_a_4b_2a:Ba-In-La-Mg-O-W +mp-1228622,Al9Cr(BO9)2,-8.131353315,-3.2726063055,0.0032165831,0.0032165831,GGA+U,P1,A9B2CD18_aP30_1_9a_2a_a_18a:Al-B-Cr-O,30.0,A9B2CD18_aP30_1_9a_2a_a_18a:Al-B-Cr-O +mp-1227719,Ca4Al3CrSiBO14,-7.8199827498,-3.2253774899,0.0457074822,0.0457074822,GGA+U,P1,A3BC4DE14F_aP24_1_3a_a_4a_a_14a_a:Al-B-Ca-Cr-O-Si,48.0,A3BC4DE14F_aP24_1_3a_a_4a_a_14a_a:Al-B-Ca-Cr-O-Si +mp-1105348,La5Cu4P4(ClO2)2,-6.7301161963,-2.1925424912,0.0017278747,0.0017278747,GGA,I4/mmm,A2B4C5D4E4_tI38_139_e_g_a2e_g_2e:Cl-Cu-La-O-P,19.0,A2B4C5D4E4_tI38_139_e_g_a2e_g_2e:Cl-Cu-La-O-P +mp-565354,LaP5Cl18O17,-4.8000749633,-1.1569069728,0.2678690275,0.2678690275,GGA,P2_1,A18BC17D5_mP82_4_18a_a_17a_5a:Cl-La-O-P,82.0,"Invalid WP multiplicities - A18BC17D5_mP82_4_36a_a_32a_10a:Cl-La-O-P, expected LaP10(Cl9O8)4 to be LaP5Cl18O17" +mp-1192616,La6Mg23P,-2.60834055,-0.2138143404,0.0,-0.0154925985,GGA,Fm-3m,A6B23C_cF120_225_e_ad2f_b:La-Mg-P,30.0,A6B23C_cF120_225_e_ad2f_b:La-Mg-P +mp-2227942,La3MgCu4(P2O)2,-5.5144486993,-0.9178975926,0.594535404,0.594535404,GGA,Immm,A4B3CD2E4_oI28_71_2e_cf_a_e_2f:Cu-La-Mg-O-P,14.0,"Invalid WP multiplicities - A4B3CD2E4_oI28_71_4e_cf_a_e_2f:Cu-La-Mg-O-P, expected La3MgCu8(P2O)2 to be La3MgCu4(P2O)2" +mp-2230815,La5MgCu4P4(ClO2)2,-6.4078799625,-2.0171709402,0.1230330653,0.1230330653,GGA,I-4m2,A2B4C5DE4F4_tI40_119_e_2f_a2e_c_2f_2e:Cl-Cu-La-Mg-O-P,20.0,"Invalid WP multiplicities - A2B4C5DE4F4_tI40_119_e_3f_a2e_c_3f_2e:Cl-Cu-La-Mg-O-P, expected La5MgCu6P4(ClO3)2 to be La5MgCu4P4(ClO2)2" +mp-6309,La3Cu4(P2O)2,-6.37019648,-1.5431629843,0.0,-0.0701574445,GGA,I4/mmm,A4B3C2D4_tI26_139_g_ae_d_2e:Cu-La-O-P,13.0,"Invalid WP multiplicities - A4B3C2D4_tI26_139_g_ae_d_3e:Cu-La-O-P, expected La3Cu4(P3O)2 to be La3Cu4(P2O)2" +mp-1196615,La4PClO8,-8.4251990729,-3.6695292674,0.0117932867,0.0117932867,GGA,P2_1/c,AB4C8D_mP112_14_2e_8e_16e_2e:Cl-La-O-P,112.0,AB4C8D_mP112_14_2e_8e_16e_2e:Cl-La-O-P +mp-2713478,Na10Mg3Ti5(PO4)12,-7.5101339011,-2.8959769602,0.0201047555,0.0201047555,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Ti,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Mg-Na-O-P-Ti +mp-2714071,Na14Mg5Ti3(PO4)12,-7.1383769639,-2.8383291757,0.0155191377,0.0155191377,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Ti,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Mg-Na-O-P-Ti +mp-2713271,Na4MgTi3(PO4)6,-7.71762004,-2.9340094773,0.0156455213,0.0156455213,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Ti,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Mg-Na-O-P-Ti +mp-2714633,Na7MgTi3Si3(PO8)3,-7.4687283293,-2.9374887236,0.0386449774,0.0386449774,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Ti,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-P-Si-Ti +mp-2714354,Na4MgTiSi(PO6)2,-7.1623066635,-2.8576371007,0.0416439902,0.0416439902,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Mg-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Mg-Na-O-P-Si-Ti, expected Na6MgTiSiP3O20 to be Na4MgTiSi(PO6)2" +mp-2714651,Na6MgTi7(PO4)12,-7.9390277897,-2.9768039499,0.0082391035,0.0082391035,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Ti,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Mg-Na-O-P-Ti +mp-2715434,Na3MgTi(PO4)3,-7.3180425506,-2.8648665505,0.0193205465,0.0193205465,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Mg-Na-O-P-Ti,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Mg-Na-O-P-Ti, expected Na3MgTi(PO5)6 to be Na3MgTi(PO4)3" +mp-2715446,Na3MgTi(PO4)3,-7.3169802468,-2.8638042466,0.0203828504,0.0203828504,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Mg-Na-O-P-Ti,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Mg-Na-O-P-Ti, expected Na14Mg3Ti3(PO4)18 to be Na3MgTi(PO4)3" +mp-2714047,Na5MgTi3SiP5O24,-7.6312666299,-2.936093753,0.0258433594,0.0258433594,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Ti,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Mg-Na-O-P-Si-Ti +mp-2715144,Na8Mg3Ti(PO4)6,-6.9641160637,-2.8099046678,0.0150495659,0.0150495659,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Ti,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Mg-Na-O-P-Ti +mp-2716213,Na8MgTi3Si4(PO12)2,-7.3903310713,-2.9352033415000003,0.0362351717,0.0362351717,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Ti,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Mg-Na-O-P-Si-Ti +mp-2230825,Na4MgTi2(SiO5)2,-7.0652325974,-2.6968700484,0.2133825872,0.2133825872,GGA,Pm,AB4C10D2E2_mP19_6_a_2c_3a3b2c_ab_ab:Mg-Na-O-Si-Ti,19.0,"Invalid WP multiplicities - AB4C10D2E2_mP19_6_a_4c_3a3b3c_ab_ab:Mg-Na-O-Si-Ti, expected Na8MgTi2(SiO6)2 to be Na4MgTi2(SiO5)2" +mp-2230924,Na4MgTi2(SiO5)2,-7.0644531242,-2.6960905753,0.2141620604,0.2141620604,GGA,Cm,AB4C10D2E2_mC38_8_a_2ab_2a4b_b_2a:Mg-Na-O-Si-Ti,19.0,"Invalid WP multiplicities - AB4C10D2E2_mC38_8_a_2a2b_2a6b_b_2a:Mg-Na-O-Si-Ti, expected Na6MgTi2(SiO7)2 to be Na4MgTi2(SiO5)2" +mp-2230486,Na4MgTi2(SiO5)2,-6.9652402732,-2.5968777242,0.3133749115,0.3133749115,GGA,P4mm,AB4C10D2E2_tP19_99_a_d_abef_c_ab:Mg-Na-O-Si-Ti,19.0,AB4C10D2E2_tP19_99_a_d_abef_c_ab:Mg-Na-O-Si-Ti +mp-2230303,Na4MgTi2(SiO5)2,-7.0522290079,-2.683866459,0.2263861767,0.2263861767,GGA,P-4m2,AB4C10D2E2_tP19_115_c_i_gjk_ab_g:Mg-Na-O-Si-Ti,19.0,"Invalid WP multiplicities - AB4C10D2E2_tP19_115_c_i_g3j3k_ab_g:Mg-Na-O-Si-Ti, expected Na4MgTi2(SiO13)2 to be Na4MgTi2(SiO5)2" +mp-2715593,Na7Mg2Ti2SiP5O24,-7.2364336225,-2.8593218952,0.0379655082,0.0379655082,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Ti,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-Si-Ti +mp-2715397,Na6MgTi3Si2(PO6)4,-7.5522418426,-2.9410847671,0.0321524644,0.0321524644,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Ti,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Mg-Na-O-P-Si-Ti +mp-2715358,Na6MgTi3Si2(PO6)4,-7.5491976728,-2.9380405973,0.0351966342,0.0351966342,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Mg-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Mg-Na-O-P-Si-Ti, expected Na12MgTi6Si4(PO6)8 to be Na6MgTi3Si2(PO6)4" +mp-807965,Li4MnFe3(PO4)4,-5.9682867977,-0.8608582336,1.6584581313,1.6584581313,GGA+U,P-1,A3B4CD16E4_aP56_2_3i_bcdh2i_i_16i_4i:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3B4CD16E4_aP56_2_5i_bcdh4i_i_32i_7i:Fe-Li-Mn-O-P, expected Li6MnFe5P7O32 to be Li4MnFe3(PO4)4" +mp-783919,Li4MnFe3(PO4)4,-7.6247020612,-2.5172734971,0.0020428678,0.0020428678,GGA+U,P-1,A3B4CD16E4_aP56_2_3i_bcdh2i_i_16i_4i:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3B4CD16E4_aP56_2_5i_bcdh4i_i_32i_7i:Fe-Li-Mn-O-P, expected Li6MnFe5P7O32 to be Li4MnFe3(PO4)4" +mp-764613,Li4MnFe3(PO4)4,-7.6245761689,-2.5171476048,0.0021687601,0.0021687601,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Fe-Li-Mn-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Fe-Li-Mn-O-P +mp-766043,Li4MnFe3(PO4)4,-7.6247611768,-2.5173326127,0.0019837522,0.0019837522,GGA+U,Pc,A3B4CD16E4_mP56_7_3a_4a_a_16a_4a:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3B4CD16E4_mP56_7_5a_8a_a_32a_7a:Fe-Li-Mn-O-P, expected Li8MnFe5P7O32 to be Li4MnFe3(PO4)4" +mp-766130,Li4MnFe3(PO4)4,-7.6138931168,-2.5064645527,0.0128518122,0.0128518122,GGA+U,Pmn2_1,A3B4CD16E4_oP56_31_ab_2b_a_4a6b_2ab:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A3B4CD16E4_oP56_31_ab_5b_a_7a15b_4ab:Fe-Li-Mn-O-P, expected Li10MnFe3P6O37 to be Li4MnFe3(PO4)4" +mp-849356,Li4Mn3Fe(PO4)4,-7.7508361438,-2.5939794309,0.0021032933,0.0021032933,GGA+U,P-1,AB4C3D16E4_aP56_2_i_bcdh2i_3i_16i_4i:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - AB4C3D16E4_aP56_2_i_bcdh4i_5i_31i_7i:Fe-Li-Mn-O-P, expected Li6Mn5FeP7O31 to be Li4Mn3Fe(PO4)4" +mp-773519,Li4Mn3Fe(PO4)4,-7.7504262229,-2.59356951,0.0025132142,0.0025132142,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Fe-Li-Mn-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Fe-Li-Mn-O-P +mp-766376,Li4Mn3Fe(PO4)4,-7.7505790514,-2.5937223386,0.0023603856,0.0023603856,GGA+U,Cm,AB4C3D16E4_mC112_8_2a_4b_2a2b_8a12b_4a2b:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - AB4C3D16E4_mC112_8_2a_4b_2a2b_8a16b_4a2b:Fe-Li-Mn-O-P, expected Li4Mn3Fe(PO5)4 to be Li4Mn3Fe(PO4)4" +mp-777063,Li10Mn3Cr3(FeO8)2,-7.1423133091,-2.0946227576,0.0726848607,0.0726848607,GGA+U,P1,A3B2C10D3E16_aP34_1_3a_2a_10a_3a_16a:Cr-Fe-Li-Mn-O,34.0,A3B2C10D3E16_aP34_1_3a_2a_10a_3a_16a:Cr-Fe-Li-Mn-O +mp-776660,Li4Mn5Fe(PO4)6,-7.8204429337,-2.4925396026,0.0683936301,0.0683936301,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Fe-Li-Mn-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Fe-Li-Mn-O-P +mp-1177464,Li4Mn3Fe3(PO4)6,-7.7275600907,-2.4342564637,0.0836009657,0.0836009657,GGA+U,P1,A3B4C3D24E6_aP40_1_3a_4a_3a_24a_6a:Fe-Li-Mn-O-P,40.0,A3B4C3D24E6_aP40_1_3a_4a_3a_24a_6a:Fe-Li-Mn-O-P +mp-757441,Li5Mn2Fe3(PO4)6,-7.5845104005,-2.4725340841,0.0537963901,0.0537963901,GGA+U,P1,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Fe-Li-Mn-O-P,40.0,A3B5C2D24E6_aP40_1_3a_5a_2a_24a_6a:Fe-Li-Mn-O-P +mp-776668,Li8Mn7Fe(PO4)12,-7.5979285684,-2.4627154183,0.015889163,0.015889163,GGA+U,P1,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Fe-Li-Mn-O-P,76.0,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Fe-Li-Mn-O-P +mp-754045,Li4Mn2Cr3Fe3O16,-7.6801781818,-1.9846086293,0.092762744,0.092762744,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Cr-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Cr-Fe-Li-Mn-O, expected Li4Mn2Cr3Fe3O20 to be Li4Mn2Cr3Fe3O16" +mp-1176969,Li6Mn3Fe(PO4)6,-7.464144435,-2.4988957251,0.0537887404,0.0537887404,GGA+U,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Fe-Li-Mn-O-P,40.0,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Fe-Li-Mn-O-P +mp-861717,Li8MnFe7(PO4)8,-7.5934795995,-2.4984080725,0.0017167025,0.0017167025,GGA+U,Pm,A7B8CD32E8_mP56_6_a2b2c_4c_a_4a4b12c_2a2b2c:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A7B8CD32E8_mP56_6_a2b2c_7c_a_4a4b16c_2a2b2c:Fe-Li-Mn-O-P, expected Li14MnFe7(PO5)8 to be Li8MnFe7(PO4)8" +mp-849430,Li8MnFe7(PO4)8,-7.5933836332,-2.4983121063,0.0018126688,0.0018126688,GGA+U,Cm,A7B8CD32E8_mC112_8_3a2b_4b_a_8a12b_4a2b:Fe-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A7B8CD32E8_mC112_8_3a3b_7b_a_8a19b_4a3b:Fe-Li-Mn-O-P, expected Li14MnFe9(P5O23)2 to be Li8MnFe7(PO4)8" +mp-851117,Mn2CrFe3(PO4)6,-8.0584333822,-2.3754476657,0.0395304814,0.0395304814,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cr-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cr-Fe-Mn-O-P, expected Mn2CrFe3(PO11)6 to be Mn2CrFe3(PO4)6" +mp-1176859,Li8MnFe7(PO4)12,-7.4950597401,-2.4144777018,0.0191037832,0.0191037832,GGA+U,P1,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Mn-O-P,76.0,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Mn-O-P +mp-775945,Li2MnFe(PO4)2,-7.6873484877,-2.5552058492,0.0024936954,0.0024936954,GGA+U,Pm,AB2CD8E2_mP56_6_3ab_4c_a3b_8a8b8c_4a4b:Fe-Li-Mn-O-P,56.0,AB2CD8E2_mP56_6_3ab_4c_a3b_8a8b8c_4a4b:Fe-Li-Mn-O-P +mp-775189,Li2MnFe(PO4)2,-7.6872209794,-2.5550783409,0.0026212036,0.0026212036,GGA+U,Pm,AB2CD8E2_mP84_6_5ab_6c_a5b_12a12b12c_6a6b:Fe-Li-Mn-O-P,84.0,AB2CD8E2_mP84_6_5ab_6c_a5b_12a12b12c_6a6b:Fe-Li-Mn-O-P +mp-754635,Li2MnFe(PO4)2,-7.6887492107,-2.5566065722,0.0010929723,0.0010929723,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Fe-Li-Mn-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Fe-Li-Mn-O-P +mp-759138,Li2MnFe(PO4)2,-7.6887588014,-2.5566161629,0.0010833816,0.0010833816,GGA+U,Pmc2_1,AB2CD8E2_oP28_26_a_c_b_2a2b2c_ab:Fe-Li-Mn-O-P,28.0,AB2CD8E2_oP28_26_a_c_b_2a2b2c_ab:Fe-Li-Mn-O-P +mp-761246,Li2MnFe(PO4)2,-7.68930804,-2.5571654015,0.000534143,0.000534143,GGA+U,Pmn2_1,AB2CD8E2_oP28_31_a_b_a_4a2b_2a:Fe-Li-Mn-O-P,28.0,AB2CD8E2_oP28_31_a_b_a_4a2b_2a:Fe-Li-Mn-O-P +mp-849471,Li4Mn3Cr2Fe3O16,-7.6655283507,-1.9874956617,0.0629530886,0.0629530886,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Cr-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Cr-Fe-Li-Mn-O, expected Li4Mn3Cr2Fe3O20 to be Li4Mn3Cr2Fe3O16" +mp-779026,Li4MnCr2Fe3(PO4)6,-7.754097565,-2.436242329,0.1065356578,0.1065356578,GGA+U,P1,A2B3C4DE24F6_aP40_1_2a_3a_4a_a_24a_6a:Cr-Fe-Li-Mn-O-P,40.0,A2B3C4DE24F6_aP40_1_2a_3a_4a_a_24a_6a:Cr-Fe-Li-Mn-O-P +mp-776051,Li2Mn2Fe(PO4)3,-7.7693059365,-2.4587024574000003,0.0860231977,0.0860231977,GGA+U,C2,AB2C2D12E3_mC80_5_c_abc_2c_12c_ab2c:Fe-Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB2C2D12E3_mC80_5_c_abc_2c_22c_ab2c:Fe-Li-Mn-O-P, expected Li2Mn2FeP3O22 to be Li2Mn2Fe(PO4)3" +mp-1096273,Mn2CrFe,-6.02515955,3.086615266,3.086615266,3.086615266,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Fe-Mn,4.0,ABC2_oI8_71_a_b_e:Cr-Fe-Mn +mp-774916,Mn3CrFe2(PO4)6,-8.0585802442,-2.3563724698,0.0765913242,0.0765913242,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Cr-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_22b_2b:Cr-Fe-Mn-O-P, expected Mn3CrFe2(PO11)6 to be Mn3CrFe2(PO4)6" +mp-771062,Li6MnFe3(PO4)6,-7.4066495182,-2.4760005124,0.0468511716,0.0468511716,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Fe-Li-Mn-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Fe-Li-Mn-O-P +mp-775195,Li12Mn11Fe(PO4)12,-7.7931292365,-2.6197964741,0.0018750365,0.0018750365,GGA+U,Pm,AB12C11D48E12_mP84_6_a_6c_a2b4c_4a4b20c_2a2b4c:Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - AB12C11D48E12_mP84_6_a_9c_a2b4c_4a4b27c_2a2b4c:Fe-Li-Mn-O-P, expected Li18Mn11Fe(P6O31)2 to be Li12Mn11Fe(PO4)12" +mp-1176482,Mn3Cr2Fe(PO4)6,-8.1304894578,-2.3954198429,0.0812190631,0.0812190631,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Cr-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_22b_2b:Cr-Fe-Mn-O-P, expected Mn3Cr2Fe(PO11)6 to be Mn3Cr2Fe(PO4)6" +mp-861553,Li6Mn3Cr2Fe3O16,-7.4528061997,-2.0260474988,0.0869399678,0.0869399678,GGA+U,P1,A2B3C6D3E16_aP30_1_2a_3a_6a_3a_16a:Cr-Fe-Li-Mn-O,30.0,A2B3C6D3E16_aP30_1_2a_3a_6a_3a_16a:Cr-Fe-Li-Mn-O +mp-867569,Li6Mn3Cr2Fe3O16,-7.429674007,-2.0029153061,0.1100721605,0.1100721605,GGA+U,Cm,A2B3C6D3E16_mC60_8_2a_ab_2a2b_ab_8a4b:Cr-Fe-Li-Mn-O,30.0,"Invalid WP multiplicities - A2B3C6D3E16_mC60_8_2a_ab_2a2b_ab_8a7b:Cr-Fe-Li-Mn-O, expected Li6Mn3Cr2Fe3O22 to be Li6Mn3Cr2Fe3O16" +mp-776060,MnCr2Fe3(PO4)6,-8.0785130917,-2.3818875924,0.0587800197,0.0587800197,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cr-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_2b:Cr-Fe-Mn-O-P, expected MnCr2Fe3(PO11)6 to be MnCr2Fe3(PO4)6" +mp-761449,Li4Mn3Cr3(FeO8)2,-7.7945320079,-2.074248381,0.0456933713,0.0456933713,GGA+U,P1,A3B2C4D3E16_aP28_1_3a_2a_4a_3a_16a:Cr-Fe-Li-Mn-O,28.0,A3B2C4D3E16_aP28_1_3a_2a_4a_3a_16a:Cr-Fe-Li-Mn-O +mp-757478,Li4Mn3Cr3(FeO8)2,-7.7850093043,-2.0647256774,0.0552160748,0.0552160748,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Cr-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Cr-Fe-Li-Mn-O, expected Li4Mn3Cr3(FeO10)2 to be Li4Mn3Cr3(FeO8)2" +mp-767440,Li2MnFe2(PO4)3,-7.7110599437,-2.4350561687,0.0559330349,0.0559330349,GGA+U,C2,A2B2CD12E3_mC80_5_2c_abc_c_12c_ab2c:Fe-Li-Mn-O-P,40.0,"Invalid WP multiplicities - A2B2CD12E3_mC80_5_2c_abc_c_22c_ab2c:Fe-Li-Mn-O-P, expected Li2MnFe2P3O22 to be Li2MnFe2(PO4)3" +mp-1222018,Mn2Cr3FeO8,-9.0224158779,-2.2133655997,0.0,-0.0008210818,GGA+U,R-3m,A3BC2D8_hR42_166_d_a_c_ch:Cr-Fe-Mn-O,14.0,A3BC2D8_hR42_166_d_a_c_ch:Cr-Fe-Mn-O +mp-1176968,Li7Mn2Fe6(PO4)8,-7.6615701635,-2.4959869503,0.0081434967,0.0081434967,GGA+U,P1,A6B7C2D32E8_aP55_1_6a_7a_2a_32a_8a:Fe-Li-Mn-O-P,55.0,A6B7C2D32E8_aP55_1_6a_7a_2a_32a_8a:Fe-Li-Mn-O-P +mp-1235368,LiMn2Fe2(PO4)4,-7.929167958,-2.4102389469,0.0347824841,0.0347824841,GGA+U,Pm,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Li-Mn-O-P,25.0,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Li-Mn-O-P +mp-1236059,LiMn2Fe2(PO4)4,-7.9206195012,-2.4016904901,0.0433309409,0.0433309409,GGA+U,Pm,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Li-Mn-O-P,25.0,A2BC2D16E4_mP25_6_ab_a_ab_4a4b4c_2a2b:Fe-Li-Mn-O-P +mp-849382,Li16Mn15Fe(PO4)16,-7.7984206183,-2.6230283497,0.0018417593,0.0018417593,GGA+U,Pm,AB16C15D64E16_mP112_6_a_8c_a2b6c_4a4b28c_2a2b6c:Fe-Li-Mn-O-P,112.0,"Invalid WP multiplicities - AB16C15D64E16_mP112_6_a_12c_a2b8c_4a4b41c_2a2b10c:Fe-Li-Mn-O-P, expected Li24Mn19Fe(P4O15)6 to be Li16Mn15Fe(PO4)16" +mp-829746,Li7Mn3Fe(PO4)6,-7.3964512249,-2.5057470477,0.0769155428,0.0769155428,GGA+U,R3,AB7C3D24E6_hR123_146_a_a2b_3a_8b_2b:Fe-Li-Mn-O-P,41.0,"Invalid WP multiplicities - AB7C3D24E6_hR123_146_a_a4b_3a_18b_2b:Fe-Li-Mn-O-P, expected Li13Mn3Fe(PO9)6 to be Li7Mn3Fe(PO4)6" +mp-757193,Li4Cr3Ni(PO4)4,-7.6267931893,-2.5133931906,0.0415636537,0.0415636537,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cr-Li-Ni-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cr-Li-Ni-O-P +mp-757714,Li2CrNi(PO4)2,-7.4368124,-2.4617306438,0.0359632726,0.0359632726,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Cr-Li-Ni-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Cr-Li-Ni-O-P +mp-757295,Li6Cr3Ni(PO4)6,-7.4767395785,-2.5419105685,0.049437805,0.049437805,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Ni-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Ni-O-P +mp-759831,Li4CrNi5(PO4)6,-7.203914696,-2.2691705348,0.0881035066,0.0881035066,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cr-Li-Ni-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cr-Li-Ni-O-P +mp-757068,Li4CrNi3(PO4)4,-7.2473747396,-2.410611226,0.0212783911,0.0212783911,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cr-Li-Ni-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cr-Li-Ni-O-P +mp-771364,Li6CrSn3(PO4)6,-7.1080943673,-2.4997032586,0.0846216658,0.0846216658,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-Sn,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-Sn +mp-778614,Li4Cr2Ni3Sn(PO4)6,-7.339566019,-2.3522632087,0.1055431516,0.1055431516,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-Sn,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-Sn +mp-774861,Li4Cr3Ni2Sn3O16,-6.9571769239000005,-1.9810754174,0.0813315756,0.0813315756,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Ni-O-Sn, expected Li4Cr3Ni2Sn3O20 to be Li4Cr3Ni2Sn3O16" +mp-752553,Li2CrSn(PO4)2,-7.3094539504,-2.4608411102,0.0651647225,0.0651647225,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Cr-Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_11_e_ab_7e4f_3e_e:Cr-Li-O-P-Sn, expected Li2CrSn(PO5)3 to be Li2CrSn(PO4)2" +mp-774864,Li4Cr3Ni3(SnO8)2,-6.9202613232,-1.8809253587,0.0730016131,0.0730016131,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Ni-O-Sn, expected Li4Cr3Ni3(SnO10)2 to be Li4Cr3Ni3(SnO8)2" +mp-1202461,LiCa2Mn2Si5HO15,-7.9600938027,-2.999947646,0.0,-0.0013762167,GGA+U,P-1,A2BCD2E15F5_aP52_2_2i_i_i_2i_15i_5i:Ca-H-Li-Mn-O-Si,52.0,A2BCD2E15F5_aP52_2_2i_i_i_2i_15i_5i:Ca-H-Li-Mn-O-Si +mp-2715936,Na5In2SiGe2P5O24,-6.9123275029,-2.4873426498,0.0737546153,0.0737546153,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-In-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-In-Na-O-P-Si +mp-2715717,Na4InSi2GePO12,-6.7135321857,-2.5092933352,0.0944626183,0.0944626183,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ge-In-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Ge-In-Na-O-P-Si, expected Na19InSi12GePO72 to be Na4InSi2GePO12" +mp-2716278,Na5In3Ge(PO4)6,-6.8709548426,-2.4942612625,0.0436825339,0.0436825339,GGA,P1,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Ge-In-Na-O-P,117.0,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Ge-In-Na-O-P +mp-2714774,Na3InGe3(PO4)6,-7.1042338192,-2.461296325,0.0395795944,0.0395795944,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ge-In-Na-O-P,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ge-In-Na-O-P +mp-2714776,Na7In2Si3Ge2(PO8)3,-6.8041234698,-2.5298919843,0.0723133099,0.0723133099,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ge-In-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ge-In-Na-O-P-Si +mp-2715431,Na3InSiGe(PO6)2,-6.834779713,-2.4870559608,0.1066886606,0.1066886606,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ge-In-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Ge-In-Na-O-P-Si, expected Na14In3Si3Ge3(P5O36)2 to be Na3InSiGe(PO6)2" +mp-2715340,Na3InSiGe(PO6)2,-6.8283580175,-2.4806342653,0.1131103561,0.1131103561,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ge-In-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Ge-In-Na-O-P-Si, expected Na3InSiGe(PO15)2 to be Na3InSiGe(PO6)2" +mp-2713554,Na2InGe(PO4)3,-6.9579357161,-2.4516233884,0.0692794329,0.0692794329,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Ge-In-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Ge-In-Na-O-P, expected Na2InGe(PO4)18 to be Na2InGe(PO4)3" +mp-2716563,Na12Nb4Zn2(SiO4)9,-7.3052923586,-2.7703135209000003,0.067632119,0.067632119,GGA,P3c1,A12B4C36D9E2_hP126_158_abc3d_ab2c_12d_3d_ab:Na-Nb-O-Si-Zn,126.0,A12B4C36D9E2_hP126_158_abc3d_ab2c_12d_3d_ab:Na-Nb-O-Si-Zn +mp-2712832,Na7Nb3Zn(SiO4)6,-7.5131356267,-2.8279216502,0.0583629728,0.0583629728,GGA,P3,A7B3C24D6E_hP123_143_2a2b2c5d_2a3b4c_24d_6d_2ab:Na-Nb-O-Si-Zn,123.0,A7B3C24D6E_hP123_143_2a2b2c5d_2a3b4c_24d_6d_2ab:Na-Nb-O-Si-Zn +mp-2715373,Na9Nb5Zn(SiO4)9,-7.733520509,-2.8905596369,0.0463202203,0.0463202203,GGA,P1,A9B5C36D9E_aP360_1_54a_30a_216a_54a_6a:Na-Nb-O-Si-Zn,360.0,A9B5C36D9E_aP360_1_54a_30a_216a_54a_6a:Na-Nb-O-Si-Zn +mp-2715488,Na9Nb5Zn(SiO4)9,-7.7368950938,-2.8939342216,0.0429456355,0.0429456355,GGA,P1,A9B5C36D9E_aP120_1_18a_10a_72a_18a_2a:Na-Nb-O-Si-Zn,240.0,"Invalid WP multiplicities - A9B5C36D9E_aP120_1_36a_20a_144a_36a_3a:Na-Nb-O-Si-Zn, expected Na36Nb20Zn3(SiO4)36 to be Na9Nb5Zn(SiO4)9" +mp-2713356,Na15Nb11Zn(SiO4)18,-7.9617757783,-2.9529784261,0.0370912926,0.0370912926,GGA,P1,A15B11C72D18E_aP117_1_15a_11a_72a_18a_a:Na-Nb-O-Si-Zn,117.0,A15B11C72D18E_aP117_1_15a_11a_72a_18a_a:Na-Nb-O-Si-Zn +mp-2715754,Na4NbZnSi2PO12,-7.0575417406,-2.6634773156,0.0899742935,0.0899742935,GGA,Cc,A4BC12DE2F_mC84_9_4a_a_12a_a_2a_a:Na-Nb-O-P-Si-Zn,126.0,"Invalid WP multiplicities - A4BC12DE2F_mC84_9_19a_a_72a_a_12a_a:Na-Nb-O-P-Si-Zn, expected Na19NbZnSi12PO72 to be Na4NbZnSi2PO12" +mp-2713883,NaNb3Zn(PO4)6,-8.0341904736,-2.7745753841000003,0.0089261584,0.0089261584,GGA,P3,AB3C24D6E_hP105_143_2ab_2a3b4c_24d_6d_2ab:Na-Nb-O-P-Zn,105.0,AB3C24D6E_hP105_143_2ab_2a3b4c_24d_6d_2ab:Na-Nb-O-P-Zn +mp-2714325,Na21Nb8Zn4Si15(PO24)3,-7.3920726815,-2.7790343799,0.0639711354,0.0639711354,GGA,P1,A21B8C72D3E15F4_aP123_1_21a_8a_72a_3a_15a_4a:Na-Nb-O-P-Si-Zn,123.0,A21B8C72D3E15F4_aP123_1_21a_8a_72a_3a_15a_4a:Na-Nb-O-P-Si-Zn +mp-2713821,Nb5Zn(PO4)9,-8.2733149543,-2.8112211313,0.0,-0.0154880358,GGA,P3c1,A5B36C9D_hP102_158_a2b2c_12d_3d_a:Nb-O-P-Zn,102.0,A5B36C9D_hP102_158_a2b2c_12d_3d_a:Nb-O-P-Zn +mp-2715054,Na12NbZn5(PO4)9,-6.6309293102,-2.5186937105,0.05631683,0.05631683,GGA,P3c1,A12BC36D9E5_hP126_158_abc3d_a_12d_3d_a2b2c:Na-Nb-O-P-Zn,126.0,A12BC36D9E5_hP126_158_abc3d_a_12d_3d_a2b2c:Na-Nb-O-P-Zn +mp-2713371,Na3Nb4Zn2(PO4)9,-7.7974898043,-2.7291046297,0.0229999345,0.0229999345,GGA,P3c1,A3B4C36D9E2_hP108_158_abc_ab2c_12d_3d_ab:Na-Nb-O-P-Zn,108.0,A3B4C36D9E2_hP108_158_abc_ab2c_12d_3d_ab:Na-Nb-O-P-Zn +mp-2716465,Na9Nb7Zn5(PO4)18,-7.5709709065,-2.6834788948,0.0387877201,0.0387877201,GGA,P1,A9B7C72D18E5_aP111_1_9a_7a_72a_18a_5a:Na-Nb-O-P-Zn,111.0,A9B7C72D18E5_aP111_1_9a_7a_72a_18a_5a:Na-Nb-O-P-Zn +mp-2714996,Na7Nb2Zn2Si3(PO8)3,-7.135345288,-2.6666583359,0.0893286918,0.0893286918,GGA,P1,A7B2C24D3E3F2_aP123_1_21a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Zn,123.0,A7B2C24D3E3F2_aP123_1_21a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Zn +mp-2715870,Na5Nb2Zn2SiP5O24,-7.2790203681,-2.6496079732,0.0757099415,0.0757099415,GGA,P1,A5B2C24D5EF2_aP117_1_15a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Zn,117.0,A5B2C24D5EF2_aP117_1_15a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Zn +mp-2714134,Na7NbZn3(PO4)6,-6.8012090715,-2.5490491439,0.0551770494,0.0551770494,GGA,P1,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-P-Zn,123.0,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-P-Zn +mp-2715775,Na21Nb4Zn8Si3(P5O24)3,-6.9108871333,-2.5865515309,0.0725259461,0.0725259461,GGA,P1,A21B4C72D15E3F8_aP123_1_21a_4a_72a_15a_3a_8a:Na-Nb-O-P-Si-Zn,123.0,A21B4C72D15E3F8_aP123_1_21a_4a_72a_15a_3a_8a:Na-Nb-O-P-Si-Zn +mp-2715313,Na9Nb2Zn4(PO4)9,-6.9772930639,-2.5782125918,0.0548279735,0.0548279735,GGA,P1,A9B2C36D9E4_aP120_1_18a_4a_72a_18a_8a:Na-Nb-O-P-Zn,240.0,A9B2C36D9E4_aP120_1_36a_8a_144a_36a_16a:Na-Nb-O-P-Zn +mp-2715315,Na9Nb2Zn4(PO4)9,-6.9839062147,-2.5848257426,0.0482148228,0.0482148228,GGA,P1,A9B2C36D9E4_aP360_1_54a_12a_216a_54a_24a:Na-Nb-O-P-Zn,360.0,A9B2C36D9E4_aP360_1_54a_12a_216a_54a_24a:Na-Nb-O-P-Zn +mp-2712887,Na9Nb10Zn2Si9(PO8)9,-8.016103774,-2.8886764109,0.0321340145,0.0321340145,GGA,P1,A9B10C72D9E9F2_aP111_1_9a_10a_72a_9a_9a_2a:Na-Nb-O-P-Si-Zn,111.0,A9B10C72D9E9F2_aP111_1_9a_10a_72a_9a_9a_2a:Na-Nb-O-P-Si-Zn +mp-2713203,Na15Nb5Zn7(PO4)18,-7.1620201537,-2.6084847502,0.0541880435,0.0541880435,GGA,P1,A15B5C72D18E7_aP117_1_15a_5a_72a_18a_7a:Na-Nb-O-P-Zn,117.0,A15B5C72D18E7_aP117_1_15a_5a_72a_18a_7a:Na-Nb-O-P-Zn +mp-2713033,Na9Nb8Zn4Si3(P5O24)3,-7.7135213424,-2.7460508803,0.0511334401,0.0511334401,GGA,P1,A9B8C72D15E3F4_aP111_1_9a_8a_72a_15a_3a_4a:Na-Nb-O-P-Si-Zn,111.0,A9B8C72D15E3F4_aP111_1_9a_8a_72a_15a_3a_4a:Na-Nb-O-P-Si-Zn +mp-2714969,Na6Nb5ZnSi6(PO12)3,-7.9179227099,-2.8903081507,0.0455341542,0.0455341542,GGA,Cc,A6B5C36D3E6F_mC228_9_6a_5a_36a_3a_6a_a:Na-Nb-O-P-Si-Zn,114.0,"Invalid WP multiplicities - A6B5C36D3E6F_mC228_9_8a_5a_72a_4a_11a_a:Na-Nb-O-P-Si-Zn, expected Na8Nb5ZnSi11(PO18)4 to be Na6Nb5ZnSi6(PO12)3" +mp-2713303,Na9Nb4Zn2Si6(PO12)3,-7.4792358687,-2.78423513,0.0636080371,0.0636080371,GGA,P1,A9B4C36D3E6F2_aP360_1_54a_24a_216a_18a_36a_12a:Na-Nb-O-P-Si-Zn,360.0,A9B4C36D3E6F2_aP360_1_54a_24a_216a_18a_36a_12a:Na-Nb-O-P-Si-Zn +mp-2713311,Na9Nb4Zn2Si6(PO12)3,-7.4635880011,-2.7685872624,0.0792559047,0.0792559047,GGA,P1,A9B4C36D3E6F2_aP120_1_18a_8a_72a_6a_12a_4a:Na-Nb-O-P-Si-Zn,240.0,"Invalid WP multiplicities - A9B4C36D3E6F2_aP120_1_36a_16a_144a_11a_23a_8a:Na-Nb-O-P-Si-Zn, expected Na36Nb16Zn8Si23P11O144 to be Na9Nb4Zn2Si6(PO12)3" +mp-2715636,Na3Nb10Zn2Si3(P5O24)3,-8.1961682887,-2.8520045515,0.0157923257,0.0157923257,GGA,P1,A3B10C72D15E3F2_aP105_1_3a_10a_72a_15a_3a_2a:Na-Nb-O-P-Si-Zn,105.0,A3B10C72D15E3F2_aP105_1_3a_10a_72a_15a_3a_2a:Na-Nb-O-P-Si-Zn +mp-2714284,Na15Nb8Zn4Si9(PO8)9,-7.5527503268,-2.771583949,0.0674239693,0.0674239693,GGA,P1,A15B8C72D9E9F4_aP117_1_15a_8a_72a_9a_9a_4a:Na-Nb-O-P-Si-Zn,117.0,A15B8C72D9E9F4_aP117_1_15a_8a_72a_9a_9a_4a:Na-Nb-O-P-Si-Zn +mp-2715615,Na3Nb5ZnSi3(PO6)6,-8.1097443568,-2.8769590341,0.023717484,0.023717484,GGA,P3c1,A3B5C36D6E3F_hP108_158_abc_a2b2c_12d_2d_d_a:Na-Nb-O-P-Si-Zn,108.0,A3B5C36D6E3F_hP108_158_abc_a2b2c_12d_2d_d_a:Na-Nb-O-P-Si-Zn +mp-2712666,Na6Nb4Zn2Si3(PO6)6,-7.6293568843,-2.7574898338,0.0630020663,0.0630020663,GGA,Cc,A6B4C36D6E3F2_mC228_9_6a_4a_36a_6a_3a_2a:Na-Nb-O-P-Si-Zn,114.0,"Invalid WP multiplicities - A6B4C36D6E3F2_mC228_9_8a_4a_72a_11a_4a_2a:Na-Nb-O-P-Si-Zn, expected Na8Nb4Zn2Si4P11O72 to be Na6Nb4Zn2Si3(PO6)6" +mp-2713710,Na2NbZn(PO4)3,-7.3559852133,-2.6398656717,0.0539989414,0.0539989414,GGA,Cc,A2BC12D3E_mC76_9_2a_a_12a_3a_a:Na-Nb-O-P-Zn,114.0,"Invalid WP multiplicities - A2BC12D3E_mC76_9_2a_a_72a_18a_a:Na-Nb-O-P-Zn, expected Na2NbZn(PO4)18 to be Na2NbZn(PO4)3" +mp-2715441,Na3NbZnSi(PO6)2,-7.1946651205,-2.6476245151,0.0992342532,0.0992342532,GGA,Cc,A3BC12D2EF_mC80_9_3a_a_12a_2a_a_a:Na-Nb-O-P-Si-Zn,80.0,"Invalid WP multiplicities - A3BC12D2EF_mC80_9_3a_a_30a_2a_a_a:Na-Nb-O-P-Si-Zn, expected Na3NbZnSi(PO15)2 to be Na3NbZnSi(PO6)2" +mp-2715454,Na3NbZnSi(PO6)2,-7.2031623977,-2.6561217922,0.090736976,0.090736976,GGA,Cc,A3BC12D2EF_mC240_9_9a_3a_36a_6a_3a_3a:Na-Nb-O-P-Si-Zn,120.0,"Invalid WP multiplicities - A3BC12D2EF_mC240_9_12a_3a_60a_9a_3a_3a:Na-Nb-O-P-Si-Zn, expected Na4NbZnSiP3O20 to be Na3NbZnSi(PO6)2" +mp-2716527,Na15Nb10Zn2Si15(PO24)3,-7.8282460841,-2.8953257234,0.0490841543,0.0490841543,GGA,P1,A15B10C72D3E15F2_aP117_1_15a_10a_72a_3a_15a_2a:Na-Nb-O-P-Si-Zn,117.0,A15B10C72D3E15F2_aP117_1_15a_10a_72a_3a_15a_2a:Na-Nb-O-P-Si-Zn +mp-2714490,Na12Nb2Zn4Si3(PO6)6,-6.8501388655,-2.5969888532,0.0715161371,0.0715161371,GGA,P3c1,A12B2C36D6E3F4_hP126_158_abc3d_ab_12d_2d_d_ab2c:Na-Nb-O-P-Si-Zn,126.0,A12B2C36D6E3F4_hP126_158_abc3d_ab_12d_2d_d_ab2c:Na-Nb-O-P-Si-Zn +mp-4538,TaSnS2,-7.13117995,-1.0961176453,0.0033886013,0.0033886013,GGA,P6_3/mmc,A2BC_hP8_194_e_a_c:S-Sn-Ta,8.0,A2BC_hP8_194_e_a_c:S-Sn-Ta +mp-1205503,Ta(SnS)2,-6.428716519,-0.7987523043,0.080852693,0.080852693,GGA,P6_3/mmc,A2B2C_hP10_194_f_f_c:S-Sn-Ta,10.0,A2B2C_hP10_194_f_f_c:S-Sn-Ta +mp-2715139,Na4Ta2Si5Sn2SO24,-7.6903718867,-2.7690990122,0.0689349908,0.0689349908,GGA,P1,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Ta,114.0,A4B24CD5E2F2_aP114_1_12a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Ta +mp-2714015,NaTaSi3Sn3(SO8)3,-7.2997223084,-2.3678694156,0.0669619938,0.0669619938,GGA,P1,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Ta,105.0,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Ta +mp-2715528,NaTaSi2SnSO12,-7.734979584199999,-2.6495781819,0.0697670935,0.0697670935,GGA,Cc,AB12CD2EF_mC72_9_a_12a_a_2a_a_a:Na-O-S-Si-Sn-Ta,108.0,"Invalid WP multiplicities - AB12CD2EF_mC72_9_a_60a_a_7a_a_a:Na-O-S-Si-Sn-Ta, expected NaTaSi7SnSO60 to be NaTaSi2SnSO12" +mp-2715553,Na2Ta4Si7Sn4S5O48,-7.7578690417,-2.5833692958,0.0519032662,0.0519032662,GGA,P1,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Ta,210.0,A2B48C5D7E4F4_aP210_1_6a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Ta +mp-2716493,Na10Ta4Si11Sn4SO48,-7.6655295157,-2.8200082694,0.0399787615,0.0399787615,GGA,P1,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Ta,234.0,A10B48CD11E4F4_aP234_1_30a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Ta +mp-2713836,Ta2Si3Sn2(SO8)3,-7.7551865003,-2.4863473317,0.0497940309,0.0497940309,GGA,P1,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Sn-Ta,102.0,A24B3C3D2E2_aP102_1_72a_9a_9a_6a_6a:O-S-Si-Sn-Ta +mp-2712900,Na6Ta4Si9Sn4(SO16)3,-7.7211436718,-2.7200244865,0.0730742347,0.0730742347,GGA,P1,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Ta,222.0,A6B48C3D9E4F4_aP222_1_18a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Ta +mp-9132,Ta3SnS6,-7.7595678905,-1.3194074959,0.0,-0.0492619145,GGA,P6_3/mcm,A6BC3_hP20_193_k_b_ac:S-Sn-Ta,20.0,A6BC3_hP20_193_k_b_ac:S-Sn-Ta +mp-2712859,Na6Zr4Si7Sn4S5O48,-7.4059629153,-2.6186010857,0.0988821641,0.0988821641,GGA,P1,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Zr,222.0,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Zr +mp-1189510,Zr5Sn3S,-7.4798487217,-0.934996657,0.0,-0.1042574094,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:S-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:S-Sn-Zr +mp-2713450,ZrSiSn(SO6)2,-7.4703743307,-2.4341534611,0.0380464309,0.0380464309,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Sn-Zr,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Sn-Zr +mp-17324,ZrSnS3,-6.391487313,-1.3981628959,0.0,-0.0131250425,GGA,Pnma,A3BC_oP20_62_3c_c_c:S-Sn-Zr,20.0,A3BC_oP20_62_3c_c_c:S-Sn-Zr +mp-2716232,Na2Zr4Si5Sn4S7O48,-7.4463874276,-2.4978597435,0.0638240554,0.0638240554,GGA,P1,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Zr,210.0,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Zr +mp-2713412,Na2Zr2Si3Sn2(SO8)3,-7.4372453705,-2.5715390283,0.0717700556,0.0717700556,GGA,P1,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Zr,108.0,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Zr +mp-2714128,Na10Zr4Si9Sn4(SO16)3,-7.3688095879,-2.7260837816,0.0902424604,0.0902424604,GGA,P1,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Zr,234.0,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Zr +mp-2714326,Na14Zr4Si11Sn4SO48,-7.3316191059,-2.8194184915,0.0390675432,0.0390675432,GGA,P1,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Zr,246.0,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Sn-Zr +mp-2712675,Na2ZrSi2SnSO12,-7.3894686533,-2.6763279410000003,0.1114255714,0.1114255714,GGA,P1,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Sn-Zr,114.0,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Sn-Zr +mp-2713804,Na6Zr2Si5Sn2SO24,-7.3560476725,-2.7802160271,0.0601643544,0.0601643544,GGA,P1,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Zr,120.0,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Zr +mp-2716198,Na6Ca2Hf2Si3(SO8)3,-7.2180420184,-2.7363779599,0.1368722241,0.1368722241,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ca-Hf-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ca-Hf-Na-O-S-Si +mp-2713995,Na6Ca4Hf4Si3(S3O16)3,-7.3627537362,-2.6771947033,0.0696853723,0.0696853723,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ca-Hf-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ca-Hf-Na-O-S-Si +mp-2716135,Na8CaHf3Si5SO24,-7.5818366224,-2.9999095175,0.0500931902,0.0500931902,GGA,P1,AB3C8D24EF5_aP126_1_3a_9a_24a_72a_3a_15a:Ca-Hf-Na-O-S-Si,126.0,AB3C8D24EF5_aP126_1_3a_9a_24a_72a_3a_15a:Ca-Hf-Na-O-S-Si +mp-2714772,Na14Ca2Hf6Si9(SO16)3,-7.6085003408,-2.9627935352,0.0718843634,0.0718843634,GGA,P1,A2B6C14D48E3F9_aP246_1_6a_18a_42a_144a_9a_27a:Ca-Hf-Na-O-S-Si,246.0,A2B6C14D48E3F9_aP246_1_6a_18a_42a_144a_9a_27a:Ca-Hf-Na-O-S-Si +mp-2714277,Na2Ca4Hf4SiS11O48,-7.4295268054,-2.5886192207,0.0135301882,0.0135301882,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ca-Hf-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ca-Hf-Na-O-S-Si +mp-2714270,Na14Ca5Hf3Si6(SO8)6,-7.0143335363,-2.7066922422,0.118726456,0.118726456,GGA,P1,A5B3C14D48E6F6_aP246_1_15a_9a_42a_144a_18a_18a:Ca-Hf-Na-O-S-Si,246.0,A5B3C14D48E6F6_aP246_1_15a_9a_42a_144a_18a_18a:Ca-Hf-Na-O-S-Si +mp-2713715,Na6Ca6Hf2SiS11O48,-6.9803026475,-2.5444857041,0.0424306168,0.0424306168,GGA,P1,A6B2C6D48E11F_aP222_1_18a_6a_18a_144a_33a_3a:Ca-Hf-Na-O-S-Si,222.0,A6B2C6D48E11F_aP222_1_18a_6a_18a_144a_33a_3a:Ca-Hf-Na-O-S-Si +mp-1190098,CaHfS3,-6.944673754,-2.0702460519,0.037140438,0.037140438,GGA,Pnma,ABC3_oP20_62_c_a_cd:Ca-Hf-S,20.0,ABC3_oP20_62_c_a_cd:Ca-Hf-S +mp-2713012,CaHf3SiS5O24,-7.8857072373,-2.6884936077,0.0040131596,0.0040131596,GGA,P1,AB3C24D5E_aP102_1_3a_9a_72a_15a_3a:Ca-Hf-O-S-Si,102.0,AB3C24D5E_aP102_1_3a_9a_72a_15a_3a:Ca-Hf-O-S-Si +mp-2713912,CaHf(SO4)3,-7.4488343724,-2.5233988991,0.0,-0.0942783418,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Ca-Hf-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Ca-Hf-O-S, expected CaHf(SO12)3 to be CaHf(SO4)3" +mp-2714880,Na10Ca6Hf2Si3(S3O16)3,-6.9148761993,-2.6056673364,0.0872052399,0.0872052399,GGA,P1,A6B2C10D48E9F3_aP234_1_18a_6a_30a_144a_27a_9a:Ca-Hf-Na-O-S-Si,234.0,A6B2C10D48E9F3_aP234_1_18a_6a_30a_144a_27a_9a:Ca-Hf-Na-O-S-Si +mp-2716338,Na2Ca2Hf6Si3(S3O16)3,-7.8457589969,-2.7408383460000003,0.0277361413,0.0277361413,GGA,P1,A2B6C2D48E9F3_aP210_1_6a_18a_6a_144a_27a_9a:Ca-Hf-Na-O-S-Si,210.0,A2B6C2D48E9F3_aP210_1_6a_18a_6a_144a_27a_9a:Ca-Hf-Na-O-S-Si +mp-2713428,Na4Ca3HfSiS5O24,-6.9486185705,-2.5777715632,0.0800066109,0.0800066109,GGA,P1,A3BC4D24E5F_aP114_1_9a_3a_12a_72a_15a_3a:Ca-Hf-Na-O-S-Si,114.0,A3BC4D24E5F_aP114_1_9a_3a_12a_72a_15a_3a:Ca-Hf-Na-O-S-Si +mp-2713222,Na2CaHfSi(SO6)2,-7.2923918027,-2.6783748661,0.1351574902,0.1351574902,GGA,Cc,ABC2D12E2F_mC228_9_3a_3a_6a_36a_6a_3a:Ca-Hf-Na-O-S-Si,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC228_9_3a_3a_6a_60a_9a_3a:Ca-Hf-Na-O-S-Si, expected Na2CaHfSiS3O20 to be Na2CaHfSi(SO6)2" +mp-2712735,Na6Ca3HfSi2(SO6)4,-6.8747861351,-2.6241335094,0.1016144753,0.1016144753,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Hf-Na-O-S-Si,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Hf-Na-O-S-Si +mp-2715192,Na8Ca3HfSi3(SO8)3,-6.8178954068,-2.6759900788,0.0971808857,0.0971808857,GGA,P1,A3BC8D24E3F3_aP126_1_9a_3a_24a_72a_9a_9a:Ca-Hf-Na-O-S-Si,126.0,A3BC8D24E3F3_aP126_1_9a_3a_24a_72a_9a_9a:Ca-Hf-Na-O-S-Si +mp-2716058,Na14Ca6Hf2Si5S7O48,-6.8409089089,-2.6459561185,0.1090324713,0.1090324713,GGA,P1,A6B2C14D48E7F5_aP246_1_18a_6a_42a_144a_21a_15a:Ca-Hf-Na-O-S-Si,246.0,A6B2C14D48E7F5_aP246_1_18a_6a_42a_144a_21a_15a:Ca-Hf-Na-O-S-Si +mp-2714569,Na4CaHfSi2SO12,-7.1730528298,-2.8111366133,0.1004502228,0.1004502228,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ca-Hf-Na-O-S-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_14a_60a_a_7a:Ca-Hf-Na-O-S-Si, expected Na14CaHfSi7SO60 to be Na4CaHfSi2SO12" +mp-2714915,Na2Ca5Hf3(SO4)12,-7.2256978266,-2.5167967749,0.0008003637,0.0008003637,GGA,P1,A5B3C2D48E12_aP210_1_15a_9a_6a_144a_36a:Ca-Hf-Na-O-S,210.0,A5B3C2D48E12_aP210_1_15a_9a_6a_144a_36a:Ca-Hf-Na-O-S +mp-2714353,Na2Ca2Hf2SiS5O24,-7.3896351585,-2.6285594685,0.0479654219,0.0479654219,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ca-Hf-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ca-Hf-Na-O-S-Si +mp-2715988,Na10Ca2Hf6Si7S5O48,-7.6867097474,-2.9036312787,0.0918099115,0.0918099115,GGA,P1,A2B6C10D48E5F7_aP234_1_6a_18a_30a_144a_15a_21a:Ca-Hf-Na-O-S-Si,234.0,A2B6C10D48E5F7_aP234_1_6a_18a_30a_144a_15a_21a:Ca-Hf-Na-O-S-Si +mp-2715047,Na6Ca7Hf(SO4)12,-6.7968144014,-2.4858685029,0.0210659407,0.0210659407,GGA,P1,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ca-Hf-Na-O-S,222.0,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ca-Hf-Na-O-S +mp-2713219,Na4CaHf3Si3(SO8)3,-7.7146222716,-2.8574354057,0.1113624236,0.1113624236,GGA,P1,AB3C4D24E3F3_aP114_1_3a_9a_12a_72a_9a_9a:Ca-Hf-Na-O-S-Si,114.0,AB3C4D24E3F3_aP114_1_3a_9a_12a_72a_9a_9a:Ca-Hf-Na-O-S-Si +mp-2712798,Na2CaHf3Si2(SO6)4,-7.800943679299999,-2.7831886194,0.0572276035,0.0572276035,GGA,P1,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Hf-Na-O-S-Si,108.0,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Hf-Na-O-S-Si +mp-2713500,Na10Ca3Hf5Si6(SO8)6,-7.466055177,-2.8014441097,0.1183549271,0.1183549271,GGA,P1,A3B5C10D48E6F6_aP234_1_9a_15a_30a_144a_18a_18a:Ca-Hf-Na-O-S-Si,234.0,A3B5C10D48E6F6_aP234_1_9a_15a_30a_144a_18a_18a:Ca-Hf-Na-O-S-Si +mp-2715085,Na10Ca4Hf4Si5S7O48,-7.2539663146,-2.7078226488,0.1363342345,0.1363342345,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ca-Hf-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ca-Hf-Na-O-S-Si +mp-2716060,Na6Ca2Hf6Si5S7O48,-7.740112465,-2.8048113425,0.1015305701,0.1015305701,GGA,P1,A2B6C6D48E7F5_aP222_1_6a_18a_18a_144a_21a_15a:Ca-Hf-Na-O-S-Si,222.0,A2B6C6D48E7F5_aP222_1_6a_18a_18a_144a_21a_15a:Ca-Hf-Na-O-S-Si +mp-2715686,Na14Ca4Hf4Si7S5O48,-7.2320571255,-2.8117273276,0.084121479,0.084121479,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ca-Hf-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ca-Hf-Na-O-S-Si +mp-2714416,Na6CaHf3Si4(SO12)2,-7.6477491584,-2.9350736671,0.0804763362,0.0804763362,GGA,P1,AB3C6D24E2F4_aP120_1_3a_9a_18a_72a_6a_12a:Ca-Hf-Na-O-S-Si,120.0,AB3C6D24E2F4_aP120_1_3a_9a_18a_72a_6a_12a:Ca-Hf-Na-O-S-Si +mp-2714874,Na6CaHf7Si6(SO8)6,-7.9794658404,-2.9192936732,0.066779158,0.066779158,GGA,P1,AB7C6D48E6F6_aP222_1_3a_21a_18a_144a_18a_18a:Ca-Hf-Na-O-S-Si,222.0,AB7C6D48E6F6_aP222_1_3a_21a_18a_144a_18a_18a:Ca-Hf-Na-O-S-Si +mp-2714171,Na2Ca3Hf(SO4)6,-7.0044968007,-2.5001004805,0.0120172176,0.0120172176,GGA,P3,A3BC2D24E6_hP108_143_2a3b4c_2ab_2a2b2c_24d_6d:Ca-Hf-Na-O-S,108.0,A3BC2D24E6_hP108_143_2a3b4c_2ab_2a2b2c_24d_6d:Ca-Hf-Na-O-S +mp-1199471,BaNaAlMo6(H13O17)2,-6.447126225,-1.6868469485,0.0121140262,0.0121140262,GGA+U,C2/c,ABC26D6EF34_mC276_15_c_e_13f_3f_e_17f:Al-Ba-H-Mo-Na-O,138.0,ABC26D6EF34_mC276_15_a_e_13f_3f_e_17f:Al-Ba-H-Mo-Na-O +mp-2713801,NaZr3Nb(PO4)6,-8.4846539172,-3.1055888791,0.0038747984,0.0038747984,GGA,P3,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Zr,105.0,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Zr +mp-2713520,Na5ZrNb3(SiO4)6,-8.0862335438,-3.041703301,0.0312098061,0.0312098061,GGA,P1,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Zr,117.0,A5B3C24D6E_aP117_1_15a_9a_72a_18a_3a:Na-Nb-O-Si-Zr +mp-2716529,Na5Zr2Nb2Si5PO24,-8.0693604968,-3.0649743549,0.0361397832,0.0361397832,GGA,P1,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Zr,117.0,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Zr +mp-4500,ZrNbP,-9.1001107608,-1.0793413686,0.0,-0.1015393199,GGA,Pnma,ABC_oP12_62_c_c_c:Nb-P-Zr,12.0,ABC_oP12_62_c_c_c:Nb-P-Zr +mp-2715582,NaZrNbSi(PO6)2,-8.3765664801,-3.0663598944,0.0316612977,0.0316612977,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Na-Nb-O-P-Si-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Na-Nb-O-P-Si-Zr, expected NaZrNbSiP3O20 to be NaZrNbSi(PO6)2" +mp-2712826,Na2ZrNbSi2PO12,-8.1642928897,-3.0633318709,0.040264536,0.040264536,GGA,Cc,A2BC12DE2F_mC76_9_2a_a_12a_a_2a_a:Na-Nb-O-P-Si-Zr,114.0,"Invalid WP multiplicities - A2BC12DE2F_mC76_9_2a_a_72a_a_12a_a:Na-Nb-O-P-Si-Zr, expected Na2ZrNbSi12PO72 to be Na2ZrNbSi2PO12" +mp-2715770,NaZr2Nb2SiP5O24,-8.485086922,-3.0612898858,0.0210853093,0.0210853093,GGA,P1,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Zr,105.0,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Zr +mp-2713851,ZrNb(PO4)3,-8.5901343033,-3.0460650254,0.0,-0.011076673,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Nb-O-P-Zr,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Nb-O-P-Zr, expected ZrNb(PO12)3 to be ZrNb(PO4)3" +mp-2713025,Na7Zr3Nb(SiO4)6,-7.8772977663,-3.0901143216,0.0235332767,0.0235332767,GGA,P1,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Zr,123.0,A7BC24D6E3_aP123_1_21a_3a_72a_18a_9a:Na-Nb-O-Si-Zr +mp-1220811,NaZrNb(PO4)3,-8.2798118358,-2.9702727793,0.0180764771,0.0180764771,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Na-Nb-O-P-Zr,36.0,ABC12D3E_hR108_161_a_a_4b_b_a:Na-Nb-O-P-Zr +mp-2713098,Na3Zr2Nb2Si3(PO8)3,-8.284176605,-3.0814204456,0.0246132077,0.0246132077,GGA,P1,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Zr,111.0,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Zr +mp-2715410,Na3ZrNb(SiO4)3,-7.9756808741,-3.0630408653,0.0322936454,0.0322936454,GGA,Cc,A3BC12D3E_mC240_9_9a_3a_36a_9a_3a:Na-Nb-O-Si-Zr,120.0,"Invalid WP multiplicities - A3BC12D3E_mC240_9_14a_3a_72a_18a_3a:Na-Nb-O-Si-Zr, expected Na14Zr3Nb3(SiO4)18 to be Na3ZrNb(SiO4)3" +mp-2715349,Na3ZrNb(SiO4)3,-7.9786774551,-3.0660374464,0.0292970644,0.0292970644,GGA,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Na-Nb-O-Si-Zr,80.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_3a_a_30a_6a_a:Na-Nb-O-Si-Zr, expected Na3ZrNb(SiO5)6 to be Na3ZrNb(SiO4)3" +mp-2715588,Na3Ta5ZnSi3(PO6)6,-8.3926692643,-2.9972475906,0.0177927843,0.0177927843,GGA,P3c1,A3B36C6D3E5F_hP108_158_abc_12d_2d_d_a2b2c_a:Na-O-P-Si-Ta-Zn,108.0,A3B36C6D3E5F_hP108_158_abc_12d_2d_d_a2b2c_a:Na-O-P-Si-Ta-Zn +mp-2716387,Na15Ta10Zn2Si15(PO24)3,-8.086268778,-3.0032225549,0.036546914,0.036546914,GGA,P1,A15B72C3D15E10F2_aP117_1_15a_72a_3a_15a_10a_2a:Na-O-P-Si-Ta-Zn,117.0,A15B72C3D15E10F2_aP117_1_15a_72a_3a_15a_10a_2a:Na-O-P-Si-Ta-Zn +mp-2716070,Na5Ta2Zn2SiP5O24,-7.4312244583,-2.711736546,0.0766468596,0.0766468596,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Zn,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Zn +mp-2713534,Na15Ta11Zn(SiO4)18,-8.2485141156,-3.0745783149,0.0203869543,0.0203869543,GGA,P1,A15B72C18D11E_aP117_1_15a_72a_18a_11a_a:Na-O-Si-Ta-Zn,117.0,A15B72C18D11E_aP117_1_15a_72a_18a_11a_a:Na-O-Si-Ta-Zn +mp-2714250,Na7TaZn3(PO4)6,-6.8750935986,-2.5800928761,0.0547806339,0.0547806339,GGA,P1,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-P-Ta-Zn,123.0,A7B24C6DE3_aP123_1_21a_72a_18a_3a_9a:Na-O-P-Ta-Zn +mp-2712611,Na6Ta4Zn2Si3(PO6)6,-7.8423261225,-2.8471978376,0.0577161087,0.0577161087,GGA,Cc,A6B36C6D3E4F2_mC228_9_6a_36a_6a_3a_4a_2a:Na-O-P-Si-Ta-Zn,114.0,"Invalid WP multiplicities - A6B36C6D3E4F2_mC228_9_8a_72a_11a_4a_4a_2a:Na-O-P-Si-Ta-Zn, expected Na8Ta4Zn2Si4P11O72 to be Na6Ta4Zn2Si3(PO6)6" +mp-2713132,Na15Ta5Zn7(PO4)18,-7.2855345126,-2.656936178,0.0594349056,0.0594349056,GGA,P1,A15B72C18D5E7_aP117_1_15a_72a_18a_5a_7a:Na-O-P-Ta-Zn,117.0,A15B72C18D5E7_aP117_1_15a_72a_18a_5a_7a:Na-O-P-Ta-Zn +mp-2714512,Na21Ta8Zn4Si15(PO24)3,-7.587869730099999,-2.8605893088,0.0549825297,0.0549825297,GGA,P1,A21B72C3D15E8F4_aP123_1_21a_72a_3a_15a_8a_4a:Na-O-P-Si-Ta-Zn,123.0,A21B72C3D15E8F4_aP123_1_21a_72a_3a_15a_8a_4a:Na-O-P-Si-Ta-Zn +mp-2715542,Na4TaZnSi2PO12,-7.1999328948,-2.7222269179,0.0843536063,0.0843536063,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-P-Si-Ta-Zn,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_19a_72a_a_12a_a_a:Na-O-P-Si-Ta-Zn, expected Na19TaZnSi12PO72 to be Na4TaZnSi2PO12" +mp-2715744,Na21Ta4Zn8Si3(P5O24)3,-7.0079148256,-2.6264581633,0.0701962792,0.0701962792,GGA,P1,A21B72C15D3E4F8_aP123_1_21a_72a_15a_3a_4a_8a:Na-O-P-Si-Ta-Zn,123.0,A21B72C15D3E4F8_aP123_1_21a_72a_15a_3a_4a_8a:Na-O-P-Si-Ta-Zn +mp-2712823,Na9Ta8Zn4Si3(P5O24)3,-7.9309995757,-2.8369364944,0.0508092663,0.0508092663,GGA,P1,A9B72C15D3E8F4_aP111_1_9a_72a_15a_3a_8a_4a:Na-O-P-Si-Ta-Zn,111.0,A9B72C15D3E8F4_aP111_1_9a_72a_15a_3a_8a_4a:Na-O-P-Si-Ta-Zn +mp-2713983,NaTa3Zn(PO4)6,-8.2911442372,-2.8809743543,0.0102306155,0.0102306155,GGA,P3,AB24C6D3E_hP105_143_2ab_24d_6d_2a3b4c_2ab:Na-O-P-Ta-Zn,105.0,AB24C6D3E_hP105_143_2ab_24d_6d_2a3b4c_2ab:Na-O-P-Ta-Zn +mp-2715393,Na9Ta5Zn(SiO4)9,-7.9908832674,-3.0015496794,0.0283057792,0.0283057792,GGA,P1,A9B36C9D5E_aP120_1_18a_72a_18a_10a_2a:Na-O-Si-Ta-Zn,240.0,"Invalid WP multiplicities - A9B36C9D5E_aP120_1_36a_144a_36a_20a_3a:Na-O-Si-Ta-Zn, expected Na36Ta20Zn3(SiO4)36 to be Na9Ta5Zn(SiO4)9" +mp-2715507,Na9Ta5Zn(SiO4)9,-7.9905228181,-3.0011892302,0.0286662285,0.0286662285,GGA,P1,A9B36C9D5E_aP360_1_54a_216a_54a_30a_6a:Na-O-Si-Ta-Zn,360.0,A9B36C9D5E_aP360_1_54a_216a_54a_30a_6a:Na-O-Si-Ta-Zn +mp-2716505,Na12Ta4Zn2(SiO4)9,-7.4976120843,-2.8511111774,0.057673016,0.057673016,GGA,P3c1,A12B36C9D4E2_hP126_158_abc3d_12d_3d_ab2c_ab:Na-O-Si-Ta-Zn,126.0,A12B36C9D4E2_hP126_158_abc3d_12d_3d_ab2c_ab:Na-O-Si-Ta-Zn +mp-2715117,Na7Ta2Zn2Si3(PO8)3,-7.2812290862,-2.7268605444,0.0835512257,0.0835512257,GGA,P1,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Zn,123.0,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Zn +mp-2714184,Na15Ta8Zn4Si9(PO8)9,-7.7593450321,-2.8580779644,0.0586962666,0.0586962666,GGA,P1,A15B72C9D9E8F4_aP117_1_15a_72a_9a_9a_8a_4a:Na-O-P-Si-Ta-Zn,117.0,A15B72C9D9E8F4_aP117_1_15a_72a_9a_9a_8a_4a:Na-O-P-Si-Ta-Zn +mp-2714966,Na12TaZn5(PO4)9,-6.6800125997,-2.5398964828,0.0536495751,0.0536495751,GGA,P3c1,A12B36C9DE5_hP126_158_abc3d_12d_3d_a_a2b2c:Na-O-P-Ta-Zn,126.0,A12B36C9DE5_hP126_158_abc3d_12d_3d_a_a2b2c:Na-O-P-Ta-Zn +mp-2715602,Na3Ta10Zn2Si3(P5O24)3,-8.482712011,-2.9712651701,0.0164290916,0.0164290916,GGA,P1,A3B72C15D3E10F2_aP105_1_3a_72a_15a_3a_10a_2a:Na-O-P-Si-Ta-Zn,105.0,A3B72C15D3E10F2_aP105_1_3a_72a_15a_3a_10a_2a:Na-O-P-Si-Ta-Zn +mp-2712904,Na7Ta3Zn(SiO4)6,-7.7333008339,-2.9195644728000003,0.0483572637,0.0483572637,GGA,P3,A7B24C6D3E_hP123_143_2a2b2c5d_24d_6d_2a3b4c_2ab:Na-O-Si-Ta-Zn,123.0,A7B24C6D3E_hP123_143_2a2b2c5d_24d_6d_2a3b4c_2ab:Na-O-Si-Ta-Zn +mp-2713201,Na3Ta4Zn2(PO4)9,-8.0194559119,-2.8209616566,0.024661157,0.024661157,GGA,P3c1,A3B36C9D4E2_hP108_158_abc_12d_3d_ab2c_ab:Na-O-P-Ta-Zn,108.0,A3B36C9D4E2_hP108_158_abc_12d_3d_ab2c_ab:Na-O-P-Ta-Zn +mp-2714611,Na12Ta2Zn4Si3(PO6)6,-6.9451363848,-2.6362253379,0.0676989291,0.0676989291,GGA,P3c1,A12B36C6D3E2F4_hP126_158_abc3d_12d_2d_d_ab_ab2c:Na-O-P-Si-Ta-Zn,126.0,A12B36C6D3E2F4_hP126_158_abc3d_12d_2d_d_ab_ab2c:Na-O-P-Si-Ta-Zn +mp-2716415,Na9Ta7Zn5(PO4)18,-7.7567645295,-2.758503976,0.0434331878,0.0434331878,GGA,P1,A9B72C18D7E5_aP111_1_9a_72a_18a_7a_5a:Na-O-P-Ta-Zn,111.0,A9B72C18D7E5_aP111_1_9a_72a_18a_7a_5a:Na-O-P-Ta-Zn +mp-2713668,Na2TaZn(PO4)3,-7.5092872968,-2.7007218294,0.0592764671,0.0592764671,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Ta-Zn,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Ta-Zn, expected Na2TaZn(PO4)18 to be Na2TaZn(PO4)3" +mp-2715456,Na9Ta2Zn4(PO4)9,-7.073904261,-2.6162747026,0.0586505289,0.0586505289,GGA,P1,A9B36C9D2E4_aP120_1_18a_72a_18a_4a_8a:Na-O-P-Ta-Zn,240.0,A9B36C9D2E4_aP120_1_36a_144a_36a_8a_16a:Na-O-P-Ta-Zn +mp-2715473,Na9Ta2Zn4(PO4)9,-7.0826464741,-2.6250169157,0.0499083158,0.0499083158,GGA,P1,A9B36C9D2E4_aP360_1_54a_216a_54a_12a_24a:Na-O-P-Ta-Zn,360.0,A9B36C9D2E4_aP360_1_54a_216a_54a_12a_24a:Na-O-P-Ta-Zn +mp-2714982,Na6Ta5ZnSi6(PO12)3,-8.1835453217,-3.0018542195,0.0335914839,0.0335914839,GGA,Cc,A6B36C3D6E5F_mC228_9_6a_36a_3a_6a_5a_a:Na-O-P-Si-Ta-Zn,114.0,"Invalid WP multiplicities - A6B36C3D6E5F_mC228_9_8a_72a_4a_11a_5a_a:Na-O-P-Si-Ta-Zn, expected Na8Ta5ZnSi11(PO18)4 to be Na6Ta5ZnSi6(PO12)3" +mp-2712993,Na9Ta10Zn2Si9(PO8)9,-8.2872096964,-3.0015415595,0.0262018758,0.0262018758,GGA,P1,A9B72C9D9E10F2_aP111_1_9a_72a_9a_9a_10a_2a:Na-O-P-Si-Ta-Zn,111.0,A9B72C9D9E10F2_aP111_1_9a_72a_9a_9a_10a_2a:Na-O-P-Si-Ta-Zn +mp-2713268,Na9Ta4Zn2Si6(PO12)3,-7.6820655009,-2.8699665895,0.0522570587,0.0522570587,GGA,P1,A9B36C3D6E4F2_aP360_1_54a_216a_18a_36a_24a_12a:Na-O-P-Si-Ta-Zn,360.0,A9B36C3D6E4F2_aP360_1_54a_216a_18a_36a_24a_12a:Na-O-P-Si-Ta-Zn +mp-2713718,Na9Ta4Zn2Si6(PO12)3,-7.6632669755,-2.8511680641,0.0710555841,0.0710555841,GGA,P1,A9B36C3D6E4F2_aP120_1_18a_72a_6a_12a_8a_4a:Na-O-P-Si-Ta-Zn,240.0,"Invalid WP multiplicities - A9B36C3D6E4F2_aP120_1_36a_144a_11a_23a_16a_8a:Na-O-P-Si-Ta-Zn, expected Na36Ta16Zn8Si23P11O144 to be Na9Ta4Zn2Si6(PO12)3" +mp-2715414,Na3TaZnSi(PO6)2,-7.3420161445,-2.7071519096000003,0.0968844227,0.0968844227,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Si-Ta-Zn,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Si-Ta-Zn, expected Na3TaZnSi(PO15)2 to be Na3TaZnSi(PO6)2" +mp-2715447,Na3TaZnSi(PO6)2,-7.3504312606,-2.7155670256,0.0884693066,0.0884693066,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Si-Ta-Zn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_12a_60a_9a_3a_3a_3a:Na-O-P-Si-Ta-Zn, expected Na4TaZnSiP3O20 to be Na3TaZnSi(PO6)2" +mp-1214578,BaNa4Ti2(Si2O5)6,-7.9430543149,-3.1164310936,0.0391822883,0.0391822883,GGA,C2/m,AB4C30D12E2_mC98_12_a_hi_g2i6j_3j_h:Ba-Na-O-Si-Ti,49.0,AB4C30D12E2_mC98_12_a_hi_g2i6j_3j_h:Ba-Na-O-Si-Ti +mp-684696,BaNa4Ti2Si10(BO15)2,-7.8661790298,-2.9883691252,0.1714833984,0.1635285577,GGA,P-1,A2BC4D30E10F2_aP49_2_i_a_2i_15i_5i_i:B-Ba-Na-O-Si-Ti,49.0,"Invalid WP multiplicities - A2BC4D30E10F2_aP49_2_i_a_3i_29i_9i_i:B-Ba-Na-O-Si-Ti, expected BaNa6Ti2Si18(BO29)2 to be BaNa4Ti2Si10(BO15)2" +mp-1228057,BaNa4Ti2Si10(BO15)2,-8.0376624282,-3.1598525235,0.0,-0.0079548407,GGA,P-1,A2BC4D30E10F2_aP49_2_i_a_2i_15i_5i_i:B-Ba-Na-O-Si-Ti,49.0,"Invalid WP multiplicities - A2BC4D30E10F2_aP49_2_i_a_2i_27i_9i_i:B-Ba-Na-O-Si-Ti, expected BaNa4Ti2Si18(BO27)2 to be BaNa4Ti2Si10(BO15)2" +mp-1205119,Ba3NaSi2B7O20,-7.7430639445,-2.7848941629,0.115662931,0.115662931,GGA,C2/c,A7B3CD20E2_mC132_15_e3f_ef_c_10f_f:B-Ba-Na-O-Si,66.0,A7B3CD20E2_mC132_15_e3f_ef_c_10f_f:B-Ba-Na-O-Si +mp-561352,BaNa2Ti2(Si2O7)2,-8.0609568187,-3.2213949214,0.0138903085,0.0138903085,GGA,Ima2,AB2C14D4E2_oI92_46_b_ab_2b6c_2c_2b:Ba-Na-O-Si-Ti,46.0,"Invalid WP multiplicities - AB2C14D4E2_oI92_46_b_2ab_4b18c_7c_2b:Ba-Na-O-Si-Ti, expected BaNa3Ti2(Si7O20)2 to be BaNa2Ti2(Si2O7)2" +mp-1212467,Ho12Al7Si,-4.7091182642,-0.3774555003,0.0087373156,0.0087373156,GGA,I4/mcm,A7B12C_tI80_140_chl_ghm_a:Al-Ho-Si,40.0,A7B12C_tI80_140_chl_ghm_a:Al-Ho-Si +mp-10528,Ho2AlSi2,-5.443226624,-0.691020698,0.0,-0.01762746,GGA,Immm,AB2C2_oI10_71_a_f_h:Al-Ho-Si,5.0,AB2C2_oI10_71_a_f_h:Al-Ho-Si +mp-1206025,HoAlSi,-5.1788981983,-0.594463955,0.0,-0.0009410125,GGA,Cmcm,ABC_oC12_63_a_c_c:Al-Ho-Si,6.0,ABC_oC12_63_a_c_c:Al-Ho-Si +mp-684935,Ba2Ho2Al3Si5N11O3,-7.4364245077,-1.3630554474,0.5521238182,0.5521238182,GGA,P3m1,A3B2C2D11E3F5_hP26_156_d_ab_ab_2c3d_d_2cd:Al-Ba-Ho-N-O-Si,26.0,"Invalid WP multiplicities - A3B2C2D11E3F5_hP26_156_d_ab_ab_2c8d_d_2cd:Al-Ba-Ho-N-O-Si, expected Ba2Ho2Al3Si5N26O3 to be Ba2Ho2Al3Si5N11O3" +mp-3328,Ho2Al3Si2,-4.9884790157,-0.5238816886000001,0.0,-0.0143411557,GGA,C2/m,A3B2C2_mC14_12_ai_i_i:Al-Ho-Si,7.0,"Invalid WP multiplicities - A3B2C2_mC14_12_a2i_i_i:Al-Ho-Si, expected Ho2Al5Si2 to be Ho2Al3Si2" +mp-1206416,Ho(AlSi)2,-4.922311884,-0.337472566,0.029244616,0.029244616,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Ho-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Ho-Si +mp-1195686,BaHo4Si5O17,-8.5148453265,-3.6456264872,0.0,-0.0176685663,GGA,P2_1/m,AB4C17D5_mP54_11_e_2f_a2e7f_e2f:Ba-Ho-O-Si,54.0,AB4C17D5_mP54_11_e_2f_a2e7f_e2f:Ba-Ho-O-Si +mp-1017577,Ho3AlN,-6.169580122,-1.003720649,0.0,-0.0613361855,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Ho-N,5.0,AB3C_cP5_221_a_c_b:Al-Ho-N +mp-1222854,Li2Ti4Co(PO5)4,-8.1996169132,-2.938484144,0.0365233137,0.0365233137,GGA+U,P-1,AB2C20D4E4_aP31_2_e_bc_10i_2i_2i:Co-Li-O-P-Ti,31.0,"Invalid WP multiplicities - AB2C20D4E4_aP31_2_e_bc_20i_4i_4i:Co-Li-O-P-Ti, expected Li2Ti8Co(PO5)8 to be Li2Ti4Co(PO5)4" +mp-726129,Li2Ti4Co(PO5)4,-8.1970206931,-2.9358879238,0.0391195339,0.0391195339,GGA+U,P2_1/c,AB2C20D4E4_mP62_14_a_e_10e_2e_2e:Co-Li-O-P-Ti,62.0,"Invalid WP multiplicities - AB2C20D4E4_mP62_14_a_e_38e_6e_6e:Co-Li-O-P-Ti, expected Li2Ti12Co(P3O19)4 to be Li2Ti4Co(PO5)4" +mp-774315,Li10Ti3Co3(NiO8)2,-6.7801314744,-2.2269564497,0.103235129,0.103235129,GGA+U,P1,A3B10C2D16E3_aP34_1_3a_10a_2a_16a_3a:Co-Li-Ni-O-Ti,34.0,A3B10C2D16E3_aP34_1_3a_10a_2a_16a_3a:Co-Li-Ni-O-Ti +mp-770585,Li2TiCo3(PO4)6,-7.4067958764,-2.2890560085,0.0773256012,0.0773256012,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Co-Li-O-P-Ti,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Co-Li-O-P-Ti, expected Li2TiCo3(PO10)6 to be Li2TiCo3(PO4)6" +mp-758323,Li2Ti3Co(PO4)6,-7.9320434336,-2.7705716645000003,0.0311601658,0.0311601658,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Li-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_18b_2b_3a:Co-Li-O-P-Ti, expected Li2Ti3Co(PO9)6 to be Li2Ti3Co(PO4)6" +mp-849245,Ti3Co2Ni(PO4)6,-8.0669399631,-2.65350684,0.066227245,0.066227245,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Co-Ni-O-P-Ti, expected Ti3Co2Ni(P3O22)3 to be Ti3Co2Ni(PO4)6" +mp-778251,Li4TiCo2Ni3(PO4)6,-7.31206196,-2.3548476294,0.131933099,0.131933099,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Co-Li-Ni-O-P-Ti,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Co-Li-Ni-O-P-Ti +mp-759505,Li4Ti2Co3Ni3O16,-6.9154151411,-1.8711630587,0.0469686535,0.0469686535,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-Ti, expected Li4Ti2Co3Ni3O20 to be Li4Ti2Co3Ni3O16" +mp-763517,Li4Ti3Co3(NiO8)2,-7.2690947136,-2.1492942264,0.0541009099,0.0541009099,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Co-Li-Ni-O-Ti, expected Li4Ti3Co3(NiO10)2 to be Li4Ti3Co3(NiO8)2" +mp-774435,Ti3CoNi2(PO4)6,-8.0449770492,-2.668437846,0.0452176549,0.0452176549,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Co-Ni-O-P-Ti, expected Ti3CoNi2(PO11)6 to be Ti3CoNi2(PO4)6" +mp-776269,Li4Mn3Cr3(CoO8)2,-7.5954070086,-1.9723879113,0.080058026,0.080058026,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Co-Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Co-Cr-Li-Mn-O, expected Li4Mn3Cr3(CoO10)2 to be Li4Mn3Cr3(CoO8)2" +mp-757257,Li4CrCo3(PO4)4,-7.3987059614,-2.4196373283,0.0388943899,0.0388943899,GGA+U,Pm,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Co-Cr-Li-O-P,28.0,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Co-Cr-Li-O-P +mp-780886,Mn3Cr3(CoO8)2,-7.8797593288,-1.6377241931,0.0810590718,0.0810590718,GGA+U,Cm,A2B3C3D16_mC48_8_2a_ab_ab_8a4b:Co-Cr-Mn-O,24.0,"Invalid WP multiplicities - A2B3C3D16_mC48_8_2a_ab_ab_8a6b:Co-Cr-Mn-O, expected Mn3Cr3(CoO10)2 to be Mn3Cr3(CoO8)2" +mp-1221841,MnCrCoO4,-8.4306364393,-1.9006170961,0.08895754,0.08895754,GGA+U,Imma,ABCD4_oI28_74_a_c_e_hi:Co-Cr-Mn-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_a_c_e_2h2i:Co-Cr-Mn-O, expected MnCrCoO8 to be MnCrCoO4" +mp-780115,Li7Cr3Co(PO4)6,-7.451639148,-2.5582180656,0.0743861353,0.0743861353,GGA+U,R3,AB3C7D24E6_hR123_146_a_3a_a2b_8b_2b:Co-Cr-Li-O-P,41.0,"Invalid WP multiplicities - AB3C7D24E6_hR123_146_a_3a_a4b_18b_2b:Co-Cr-Li-O-P, expected Li13Cr3Co(PO9)6 to be Li7Cr3Co(PO4)6" +mp-757284,Mn3CrCo2(PO4)6,-7.917481645,-2.2909240604,0.0622190539,0.0622190539,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Co-Cr-Mn-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_20b_2b:Co-Cr-Mn-O-P, expected Mn3CrCo2(PO10)6 to be Mn3CrCo2(PO4)6" +mp-1177438,Li4Mn2Cr3Co3O16,-7.4390785214,-1.8894057634,0.0861235146,0.0861235146,GGA+U,P1,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Co-Cr-Li-Mn-O,28.0,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Co-Cr-Li-Mn-O +mp-758129,Li4Mn2Cr3Co3O16,-7.4491900139,-1.8995172559,0.0760120221,0.0760120221,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Co-Cr-Li-Mn-O, expected Li4Mn2Cr3Co3O20 to be Li4Mn2Cr3Co3O16" +mp-758445,Li4Mn3CrCo2(PO4)6,-7.6942189955,-2.4394248827,0.0833555569,0.0833555569,GGA+U,P1,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Cr-Li-Mn-O-P,40.0,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Cr-Li-Mn-O-P +mp-770502,Li6Cr3Co(PO4)6,-7.5059778263,-2.5379442884,0.0605104537,0.0605104537,GGA+U,P1,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Co-Cr-Li-O-P,40.0,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Co-Cr-Li-O-P +mp-1176520,Mn2Cr3Co3O16,-7.7043663146,-1.547901908,0.0815831235,0.0815831235,GGA+U,P1,A3B3C2D16_aP24_1_3a_3a_2a_16a:Co-Cr-Mn-O,24.0,A3B3C2D16_aP24_1_3a_3a_2a_16a:Co-Cr-Mn-O +mp-757903,Mn2Cr3Co3O16,-7.7089034858,-1.5524390792,0.0770459523,0.0770459523,GGA+U,Cm,A3B3C2D16_mC48_8_ab_ab_2a_8a4b:Co-Cr-Mn-O,24.0,"Invalid WP multiplicities - A3B3C2D16_mC48_8_ab_ab_2a_8a6b:Co-Cr-Mn-O, expected Mn2Cr3Co3O20 to be Mn2Cr3Co3O16" +mp-766501,Li6CrCo3(PO4)6,-7.214748241,-2.3739511869,0.0723868611,0.0723868611,GGA+U,P1,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Co-Cr-Li-O-P,40.0,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Co-Cr-Li-O-P +mp-780494,Li10Mn3Cr3(CoO8)2,-7.0306347279,-2.0630443773,0.0718592885,0.0718592885,GGA+U,P1,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Cr-Li-Mn-O,34.0,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Cr-Li-Mn-O +mp-769581,Li4Mn3Cr2Co3O16,-7.4328746282,-1.9007387336,0.0529238153,0.0529238153,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Co-Cr-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Co-Cr-Li-Mn-O, expected Li4Mn3Cr2Co3O20 to be Li4Mn3Cr2Co3O16" +mp-757602,Li4Cr3Co(PO4)4,-7.6776084443,-2.5167734058,0.0368076371,0.0368076371,GGA+U,Pm,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Cr-Li-O-P,28.0,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Cr-Li-O-P +mp-757895,Li2CrCo(PO4)2,-7.5342745343,-2.4643226985,0.0440280584,0.0440280584,GGA+U,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Co-Cr-Li-O-P,28.0,ABC2D8E2_mP28_11_e_e_ab_4e2f_2e:Co-Cr-Li-O-P +mp-772635,Mn3Cr2Co3O16,-7.6049079867,-1.4689032541,0.1290172741,0.1290172741,GGA+U,Cm,A3B2C3D16_mC48_8_ab_2a_ab_8a4b:Co-Cr-Mn-O,24.0,"Invalid WP multiplicities - A3B2C3D16_mC48_8_ab_2a_ab_8a6b:Co-Cr-Mn-O, expected Mn3Cr2Co3O20 to be Mn3Cr2Co3O16" +mp-1210432,Na2MgCrF7,-5.763071725,-3.2831870996,0.0,-0.0060705811,GGA+U,Imma,AB7CD2_oI44_74_a_ehj_c_bd:Cr-F-Mg-Na,22.0,"Invalid WP multiplicities - AB7CD2_oI44_74_a_2e2hj_c_bd:Cr-F-Mg-Na, expected Na2MgCrF10 to be Na2MgCrF7" +mp-693605,Na3Mg4CrSi8(O11F)2,-6.9874148164,-2.5855548821000003,0.5570030224,0.5473011248,GGA+U,P-1,AB2C4D3E22F8_aP80_2_i_2i_4i_3i_22i_8i:Cr-F-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - AB2C4D3E22F8_aP80_2_i_2i_6i_4i_42i_14i:Cr-F-Mg-Na-O-Si, expected Na4Mg6CrSi14(O21F)2 to be Na3Mg4CrSi8(O11F)2" +mp-1173822,Na3Mg4CrSi8(O11F)2,-7.5444178387,-3.1425579044,0.0,-0.0097018976,GGA+U,C2/c,AB2C4D3E22F8_mC160_15_e_f_2ef_ef_11f_4f:Cr-F-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - AB2C4D3E22F8_mC160_15_e_f_4e2f_2e2f_42f_14f:Cr-F-Mg-Na-O-Si, expected Na6Mg8CrSi28(O42F)2 to be Na3Mg4CrSi8(O11F)2" +mp-2714237,NaLaZn(SO4)3,-6.6715683587,-2.2666855729,0.0508317931,0.0508317931,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:La-Na-O-S-Zn,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:La-Na-O-S-Zn, expected NaLaZn(SO12)3 to be NaLaZn(SO4)3" +mp-2714316,Na7La3ZnSi3(SO8)3,-6.8629583809,-2.6500004604000003,0.1242680958,0.1242680958,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:La-Na-O-S-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:La-Na-O-S-Si-Zn +mp-2715186,Na8La2Zn2Si3(SO8)3,-6.5427612580000005,-2.4861532452,0.1422210615,0.1422210615,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:La-Na-O-S-Si-Zn,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:La-Na-O-S-Si-Zn +mp-2715131,Na3LaZn3(SO4)6,-6.3371082472,-2.1148908935,0.042260104,0.042260104,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-S-Zn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-S-Zn +mp-2714703,NaLa3Zn(SO4)6,-7.0533740397,-2.4553877972,0.0271679294,0.0271679294,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:La-Na-O-S-Zn,105.0,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:La-Na-O-S-Zn +mp-1223149,La6Zn(SiS7)2,-6.3444396148,-2.0124082915,0.0,-0.0057822458,GGA,P3,A6B14C2D_hP23_143_2d_ab4d_ab_c:La-S-Si-Zn,23.0,A6B14C2D_hP23_143_2d_ab4d_ab_c:La-S-Si-Zn +mp-2714667,Na10La4Zn4Si3(S3O16)3,-6.6030483367,-2.385698121,0.1280532418,0.1280532418,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:La-Na-O-S-Si-Zn,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:La-Na-O-S-Si-Zn +mp-2715941,Na14La4Zn4Si5S7O48,-6.5790221574,-2.4714471046,0.132332598,0.132332598,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:La-Na-O-S-Si-Zn,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:La-Na-O-S-Si-Zn +mp-2712692,Na3LaZnSi(SO6)2,-6.5823668203,-2.4212763755,0.1386145114,0.1386145114,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:La-Na-O-S-Si-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:La-Na-O-S-Si-Zn, expected Na4LaZnSiS3O20 to be Na3LaZnSi(SO6)2" +mp-2712806,Na6La4Zn4SiS11O48,-6.6572418817,-2.3182489178,0.0786263882,0.0786263882,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:La-Na-O-S-Si-Zn,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:La-Na-O-S-Si-Zn +mp-2713369,Na4La2Zn2SiS5O24,-6.636454024,-2.3598829967,0.105300446,0.105300446,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:La-Na-O-S-Si-Zn,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:La-Na-O-S-Si-Zn +mp-1195419,NaMg2HSe2O7,-5.8368111369,-2.026468416,0.0,-0.0519817984,GGA,Pnma,AB2CD7E2_oP52_62_c_ac_c_3c2d_2c:H-Mg-Na-O-Se,52.0,AB2CD7E2_oP52_62_c_ac_c_3c2d_2c:H-Mg-Na-O-Se +mp-722515,NaCu2H2(SeO5)2,-5.4729333241,-1.1926332776,0.0057709374,0.0057709374,GGA,C2/m,A2B2CD10E2_mC34_12_f_i_a_3ij_i:Cu-H-Na-O-Se,17.0,A2B2CD10E2_mC34_12_e_i_a_3ij_i:Cu-H-Na-O-Se +mp-2230425,MgCu2H4(SeO5)2,-5.4294827853,-1.2279929096,0.1692423434,0.1692423434,GGA,P1,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Cu-H-Mg-O-Se,19.0,A2B4CD10E2_aP19_1_2a_4a_a_10a_2a:Cu-H-Mg-O-Se +mp-1199324,Na2Cu3H8(SeO4)4,-5.3943225015,-1.296893888,0.0047088421,0.0047088421,GGA,P2_1/c,A3B8C2D16E4_mP66_14_ae_4e_e_8e_2e:Cu-H-Na-O-Se,66.0,A3B8C2D16E4_mP66_14_ae_4e_e_8e_2e:Cu-H-Na-O-Se +mp-2228384,NaMgCu2H2(SeO5)2,-5.5465958422,-1.4151857955,0.0868045198,0.0868045198,GGA,C2,A2B2CDE10F2_mC36_5_c_c_a_b_5c_c:Cu-H-Mg-Na-O-Se,18.0,"Invalid WP multiplicities - A2B2CDE10F2_mC36_5_c_c_a_b_6c_c:Cu-H-Mg-Na-O-Se, expected NaMgCu2H2(SeO6)2 to be NaMgCu2H2(SeO5)2" +mp-1046206,SrZnSn(PO4)2,-7.0193582542,-2.6071333603,0.0803511128,0.0803511128,GGA,P-1,A8B2CDE_aP26_2_8i_2i_i_i_i:O-P-Sn-Sr-Zn,26.0,"Invalid WP multiplicities - A8B2CDE_aP26_2_14i_2i_i_i_i:O-P-Sn-Sr-Zn, expected SrZnSn(PO7)2 to be SrZnSn(PO4)2" +mp-1233087,Sr2CaZn2Sn2(PO4)4,-6.933914453,-2.6108238188,0.1419931892,0.1419931892,GGA,P-1,AB16C4D2E2F2_aP27_2_a_8i_2i_i_i_i:Ca-O-P-Sn-Sr-Zn,27.0,"Invalid WP multiplicities - AB16C4D2E2F2_aP27_2_a_14i_2i_i_i_i:Ca-O-P-Sn-Sr-Zn, expected Sr2CaZn2Sn2(PO7)4 to be Sr2CaZn2Sn2(PO4)4" +mp-1046242,SrCaSn(PO4)2,-7.4071920731,-2.9375936199,0.0508728812,0.0508728812,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sn-Sr,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sn-Sr, expected SrCaSn(PO7)2 to be SrCaSn(PO4)2" +mp-1335638,SrCaSn(PO4)2,-5.4594441912,-0.9898457379,1.9986207632,1.9986207632,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Ca-O-P-Sn-Sr,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Ca-O-P-Sn-Sr, expected SrCaSn(PO7)2 to be SrCaSn(PO4)2" +mp-1193369,TiPb2Se2ClO7F,-6.3378732336,-2.0021985394,0.0,-0.0119020477,GGA,P2_1,ABC7D2E2F_mP28_4_a_a_7a_2a_2a_a:Cl-F-O-Pb-Se-Ti,28.0,ABC7D2E2F_mP28_4_a_a_7a_2a_2a_a:Cl-F-O-Pb-Se-Ti +mp-1202454,Rb4Fe8CuH6(Se8O25)2,-6.1559467593,-1.4570421932,0.0,-0.0288728575,GGA+U,P-1,AB8C6D50E4F16_aP85_2_a_4i_3i_25i_2i_8i:Cu-Fe-H-O-Rb-Se,85.0,AB8C6D50E4F16_aP85_2_a_4i_3i_25i_2i_8i:Cu-Fe-H-O-Rb-Se +mp-1094045,Sr2CuAg2(SO)2,-5.0186489278,-1.5398064012,0.1532588645,0.1532588645,GGA,I4/mmm,A2BC2D2E2_tI18_139_d_a_c_e_e:Ag-Cu-O-S-Sr,9.0,A2BC2D2E2_tI18_139_d_a_c_e_e:Ag-Cu-O-S-Sr +mp-2232997,MgCu2Ag(SO5)2,-5.9205441531,-1.5223543882,0.1315899693,0.1315899693,GGA,C2,AB2CD10E2_mC32_5_a_c_b_5c_c:Ag-Cu-Mg-O-S,16.0,"Invalid WP multiplicities - AB2CD10E2_mC32_5_a_c_b_6c_c:Ag-Cu-Mg-O-S, expected MgCu2Ag(SO6)2 to be MgCu2Ag(SO5)2" +mp-2233356,MgCu2Ag(SO5)2,-5.9604166519,-1.5622268869,0.0917174705,0.0917174705,GGA,Cm,AB2CD10E2_mC32_8_a_b_a_6a2b_2a:Ag-Cu-Mg-O-S,16.0,AB2CD10E2_mC32_8_a_b_a_6a2b_2a:Ag-Cu-Mg-O-S +mp-2240507,Sr2MgCuAg2(SO)2,-4.717111887,-1.426125608,0.4255750294,0.4255750294,GGA,Cm,A2BCD2E2F2_mC20_8_b_a_a_b_2a_2a:Ag-Cu-Mg-O-S-Sr,10.0,A2BCD2E2F2_mC20_8_b_a_a_b_2a_2a:Ag-Cu-Mg-O-S-Sr +mp-2227266,Sr2MgCuAg2(SO)2,-4.631213229,-1.34022695,0.5114736874,0.5114736874,GGA,I4/mmm,A2BCD2E2F2_tI20_139_d_a_b_c_e_e:Ag-Cu-Mg-O-S-Sr,,A2BCD2E2F2_tI20_139_d_a_b_c_e_e:Ag-Cu-Mg-O-S-Sr +mp-2228172,Sr2Mg(AgO2)2,-5.3897565267,-2.0085194369,0.1674656943,0.1674656943,GGA,C2,A2BC4D2_mC18_5_c_a_2c_ab:Ag-Mg-O-Sr,9.0,A2BC4D2_mC18_5_c_a_2c_ab:Ag-Mg-O-Sr +mp-2224218,Sr2Mg(AgO2)2,-4.9069560889,-1.5257189991,0.650266132,0.650266132,GGA,Fmmm,A2BC4D2_oF36_69_c_a_hi_g:Ag-Mg-O-Sr,9.0,"Invalid WP multiplicities - A2BC4D2_oF36_69_c_a_2h2i_g:Ag-Mg-O-Sr, expected Sr2Mg(AgO4)2 to be Sr2Mg(AgO2)2" +mp-2714796,Na3GaSi3Ge3(SO8)3,-6.7923408577,-2.2444871218,0.136070505,0.136070505,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Ge-Na-O-S-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Ga-Ge-Na-O-S-Si +mp-2713118,Ga2SiGe2S5O24,-6.6622250395,-1.9525090339,0.0473790948,0.0473790948,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ga-Ge-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ga-Ge-O-S-Si +mp-2715194,Na14Ga4Si9Ge4(SO16)3,-6.6856112996,-2.4441708164,0.1207378797,0.1207378797,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ga-Ge-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Ga-Ge-Na-O-S-Si +mp-2715947,Na10Ga4Si7Ge4S5O48,-6.6792355371,-2.321154997,0.1629958134,0.1629958134,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ga-Ge-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Ga-Ge-Na-O-S-Si +mp-2712713,NaGaSiGe(SO6)2,-6.6972918278,-2.1399511906,0.1114005443,0.1114005443,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Ga-Ge-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Ga-Ge-Na-O-S-Si, expected NaGaSiGeS3O20 to be NaGaSiGe(SO6)2" +mp-2715924,Na6Ga4Si5Ge4S7O48,-6.696802783,-2.2094724502,0.1236735545,0.1236735545,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ga-Ge-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Ga-Ge-Na-O-S-Si +mp-2714437,Na3GaSi2GeSO12,-6.6848648593,-2.3865623483,0.1472532085,0.1472532085,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Ga-Ge-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Ga-Ge-Na-O-S-Si, expected Na13GaSi7GeSO72 to be Na3GaSi2GeSO12" +mp-2713706,Na4Ga2Si3Ge2(SO8)3,-6.6886373689,-2.2676325876,0.1430027253,0.1430027253,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ga-Ge-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Ga-Ge-Na-O-S-Si +mp-1190388,Na2Ga2GeS6,-4.5540855682,-1.0865428693,0.0,-0.052948455,GGA,Fdd2,A2BC2D6_oF88_43_b_a_b_3b:Ga-Ge-Na-S,22.0,A2BC2D6_oF88_43_b_a_b_3b:Ga-Ge-Na-S +mp-2716427,Na2Ga4Si3Ge4(S3O16)3,-6.6727461363,-2.0413946059,0.1005907148,0.1005907148,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ga-Ge-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Ga-Ge-Na-O-S-Si +mp-2715601,Na8Ga2Si5Ge2SO24,-6.6846069706,-2.4973207994,0.0942317621,0.0942317621,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ga-Ge-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Ga-Ge-Na-O-S-Si +mp-2716287,Na5Ga3Si3Ge(SO8)3,-6.5960514447000005,-2.2953905434,0.1437800101,0.1437800101,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ga-Ge-Na-O-S-Si,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ga-Ge-Na-O-S-Si +mp-39140,Na4Al3Si3HO13,-7.1487841025,-2.9611815173,0.0,-0.0015645432,GGA,R3c,A3BC4D13E3_hR144_161_b_a_ab_a4b_b:Al-H-Na-O-Si,48.0,"Invalid WP multiplicities - A3BC4D13E3_hR144_161_b_a_2a3b_2a23b_b:Al-H-Na-O-Si, expected Na11Al3Si3HO71 to be Na4Al3Si3HO13" +mp-1199031,Na2Al2Si3H6O13,-6.750609205,-2.478475903,0.0466863745,0.0466863745,GGA,Cc,A2B6C2D13E3_mC104_9_2a_6a_2a_13a_3a:Al-H-Na-O-Si,52.0,A2B6C2D13E3_mC104_9_2a_6a_2a_13a_3a:Al-H-Na-O-Si +mp-1210489,Na2Al2Si3(HO5)2,-6.9217977495,-2.5710348263,0.2698719051,0.2698719051,GGA,Fdd2,A2B2C2D10E3_oF152_43_b_b_b_5b_ab:Al-H-Na-O-Si,38.0,A2B2C2D10E3_oF152_43_b_b_b_5b_ab:Al-H-Na-O-Si +mp-706617,Na2AlSi3HO9,-7.3497246244,-2.9385055648,0.0,-0.0041489659,GGA,P-1,ABC2D9E3_aP32_2_i_i_2i_9i_3i:Al-H-Na-O-Si,32.0,ABC2D9E3_aP32_2_i_i_2i_9i_3i:Al-H-Na-O-Si +mp-706657,Al13Si5H18ClO38,-6.9552344935,-2.5990897943,0.0211819256,0.0211819256,GGA,F-43m,A13BC18D38E5_cF300_216_ah_c_gh_2eg2h_be:Al-Cl-H-O-Si,75.0,"Invalid WP multiplicities - A13BC18D38E5_cF300_216_a2h_c_4g5h_4e4g10h_b2e:Al-Cl-H-O-Si, expected Al25Si9H84ClO160 to be Al13Si5H18ClO38" +mp-1221340,Na4Al3Si7(HO3)8,-6.96966252,-2.613871383,0.0489605952,0.0489605952,GGA,P1,A3B8C4D24E7_aP46_1_3a_8a_4a_24a_7a:Al-H-Na-O-Si,46.0,A3B8C4D24E7_aP46_1_3a_8a_4a_24a_7a:Al-H-Na-O-Si +mp-1211139,NaAl2H8(ClO2)4,-4.0499796348,-0.4446256503,1.2504867219,1.2504867219,GGA,P4/nmm,A2B4C8DE8_tP46_129_d_j_k_b_k:Al-Cl-H-Na-O,46.0,A2B4C8DE8_tP46_129_d_j_k_b_k:Al-Cl-H-Na-O +mp-643248,Na2AlH4ClO4,-5.4269716383,-1.9605697965,0.0102622602,0.0102622602,GGA,P4/nmm,ABC4D2E4_tP24_129_a_c_i_e_i:Al-Cl-H-Na-O,24.0,ABC4D2E4_tP24_129_a_c_i_e_i:Al-Cl-H-Na-O +mp-1220920,NaAl3Si3(HO6)2,-7.5052982019,-2.9823970829,0.0157659688,0.0157659688,GGA,Cc,A3B2CD12E3_mC84_9_3a_2a_a_12a_3a:Al-H-Na-O-Si,42.0,"Invalid WP multiplicities - A3B2CD12E3_mC84_9_4a_3a_a_18a_4a:Al-H-Na-O-Si, expected NaAl4Si4(HO6)3 to be NaAl3Si3(HO6)2" +mp-1198448,NaAl3Si3(HO6)2,-7.508578134,-2.9856770151000003,0.0124860367,0.0124860367,GGA,P2/c,A3B2CD12E3_mP84_13_3g_2g_ef_12g_3g:Al-H-Na-O-Si,84.0,"Invalid WP multiplicities - A3B2CD12E3_mP84_13_9g_2g_ef_48g_9g:Al-H-Na-O-Si, expected NaAl9Si9(HO24)2 to be NaAl3Si3(HO6)2" +mp-1173789,Na4Al3Si3H3O14,-6.7795958324,-2.62275869,0.1518531055,0.1518531055,GGA,P2,A3B3C4D14E3_mP54_3_2a2e_3e_4e_14e_2d2e:Al-H-Na-O-Si,54.0,"Invalid WP multiplicities - A3B3C4D14E3_mP54_3_2a2e_4e_4e_14e_2c2e:Al-H-Na-O-Si, expected Na4Al3Si3(H2O7)2 to be Na4Al3Si3H3O14" +mp-677670,Na2Al2Si3(HO3)4,-6.2673279648,-1.9480529625,0.7392538702,0.7332319079,GGA,P1,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si,92.0,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si +mp-691091,Na2Al2Si3(HO3)4,-6.3980801724,-2.0788051701,0.6085016626,0.6024797003,GGA,P1,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si,46.0,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si +mp-684868,Na2Al2Si3(HO3)4,-6.4051852359,-2.0859102336,0.6013965991,0.5953746368,GGA,P1,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si,46.0,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si +mp-1173760,Na2Al2Si3(HO3)4,-6.5480217917,-2.2287467895,0.4585600433,0.4525380809,GGA,P1,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si,46.0,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si +mp-1173828,Na2Al2Si3(HO3)4,-6.3173832774,-1.9981082751,0.6891985576,0.6831765953000001,GGA,P1,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si,92.0,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si +mp-1173860,Na2Al2Si3(HO3)4,-6.9964991335,-2.6772241312,0.0100827015,0.0040607392,GGA,P1,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si,92.0,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Al-H-Na-O-Si +mp-1257731,Na2Al2Si3(HO3)4,-6.4185778174,-2.0993028151,0.5880040176,0.5819820553,GGA,P1,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si,46.0,A2B4C2D12E3_aP46_1_4a_8a_4a_24a_6a:Al-H-Na-O-Si +mp-510599,Na2Al2Si3(HO3)4,-6.44932546,-2.1300504577,0.557256375,0.5512344127000001,GGA,Fdd2,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Na-O-Si,46.0,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Na-O-Si +mp-1173733,Na2Al2Si3(HO3)4,-6.9905600015000005,-2.6712849993,0.0160218335,0.0099998712,GGA,Cc,A2B4C2D12E3_mC92_9_2a_4a_2a_12a_3a:Al-H-Na-O-Si,46.0,"Invalid WP multiplicities - A2B4C2D12E3_mC92_9_2a_8a_4a_23a_5a:Al-H-Na-O-Si, expected Na4Al2Si5H8O23 to be Na2Al2Si3(HO3)4" +mp-1173798,Na2Al2Si3(HO3)4,-7.006581835,-2.6873068327,0.0,-0.0060219623,GGA,Fdd2,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Na-O-Si,46.0,A2B4C2D12E3_oF184_43_b_2b_b_6b_ab:Al-H-Na-O-Si +mp-1218876,Sr2Ce2YCoCu2O11,-7.6001251876,-2.7879176461,0.0268205189,0.0268205189,GGA+U,Ima2,A2BC2D11E2F_oI76_46_c_b_c_b5c_c_a:Ce-Co-Cu-O-Sr-Y,38.0,A2BC2D11E2F_oI76_46_c_b_c_b5c_c_a:Ce-Co-Cu-O-Sr-Y +mp-1226612,CeYCo17,-7.1031946532,-0.0905124014,0.0,-0.0009219458,GGA,R3m,AB17C_hR57_160_a_2a3bc_a:Ce-Co-Y,19.0,AB17C_hR57_160_a_2a3bc_a:Ce-Co-Y +mp-1226470,CeYCo4,-6.9843307083,-0.1788588003,0.03570043,0.03570043,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Co-Y,6.0,AB4C_cF24_216_a_e_c:Ce-Co-Y +mp-2716391,Na10Ti4Nb4Si11SO48,-7.9316739728,-2.9769502869,0.0480409968,0.0480409968,GGA,P1,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Ti,234.0,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Ti +mp-2715810,NaTiNbSi2SO12,-8.0517578705,-2.8480538254,0.0510961333,0.0510961333,GGA,Cc,ABC12DE2F_mC72_9_a_a_12a_a_2a_a:Na-Nb-O-S-Si-Ti,108.0,"Invalid WP multiplicities - ABC12DE2F_mC72_9_a_a_60a_a_7a_a:Na-Nb-O-S-Si-Ti, expected NaTiNbSi7SO60 to be NaTiNbSi2SO12" +mp-2712870,Na6Ti4Nb4Si9(SO16)3,-8.0098998406,-2.8936753812,0.0717030441,0.0717030441,GGA,P1,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Ti,222.0,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Ti +mp-2715787,Na2Ti4Nb4Si7S5O48,-8.0769379259,-2.7807554616,0.0481648003,0.0481648003,GGA,P1,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Ti,210.0,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Ti +mp-2715093,Na4Ti2Nb2Si5SO24,-7.9701753316,-2.9368262691,0.0626162039,0.0626162039,GGA,P1,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Ti,114.0,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Ti +mp-2713861,Ti2Nb2Si3(SO8)3,-8.104824304,-2.7107235136,0.0287175753,0.0287175753,GGA,P1,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Ti,102.0,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Ti +mp-2713767,NaTi3NbSi3(SO8)3,-7.960889597,-2.7461427643,0.0421196612,0.0421196612,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Ti,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Ti +mp-1208627,SrHo2Al2O7,-8.0664500092,-3.6520930232,0.0472423218,0.0472423218,GGA,I4/mmm,A2B2C7D_tI24_139_e_e_aeg_b:Al-Ho-O-Sr,12.0,A2B2C7D_tI24_139_e_e_aeg_b:Al-Ho-O-Sr +mp-1197875,Ba4NaAl2B8(BrO6)3,-7.5856078982,-3.0404914351,0.0,-0.0172418614,GGA,P4_2nm,A2B8C4D3EF18_tP72_102_c_2cd_d_ab_a_3c3d:Al-B-Ba-Br-Na-O,72.0,A2B8C4D3EF18_tP72_102_c_2cd_d_ab_a_3c3d:Al-B-Ba-Br-Na-O +mp-720948,NaCa2LuSi2O7F2,-6.86769559,-2.9240228869,0.6564816152,0.6564816152,GGA,P1,A2B2CDE7F2_aP60_1_8a_8a_4a_4a_28a_8a:Ca-F-Lu-Na-O-Si,60.0,A2B2CDE7F2_aP60_1_8a_8a_4a_4a_28a_8a:Ca-F-Lu-Na-O-Si +mp-1210279,NaCa2Si4O10F,-7.6851182836,-3.3288203251,0.003338823,0.003338823,GGA,P-1,A2BCD10E4_aP72_2_4i_2i_2i_20i_8i:Ca-F-Na-O-Si,72.0,A2BCD10E4_aP72_2_4i_2i_2i_20i_8i:Ca-F-Na-O-Si +mp-662810,Na5Lu(SiO3)4,-7.1780709139,-2.9873839302,0.0185550946,0.0185550946,GGA,R32,AB5C12D4_hR396_155_de_acd4f_12f_4f:Lu-Na-O-Si,132.0,"Invalid WP multiplicities - AB5C12D4_hR396_155_2de_a2c2d19f_63f_15f:Lu-Na-O-Si, expected Na125Lu9(Si5O21)18 to be Na5Lu(SiO3)4" +mp-1133325,Na5Lu(SiO3)4,-7.1901842097,-2.999497226,0.0064417988,0.0064417988,GGA,R32,AB5C12D4_hR396_155_de_acd4f_12f_4f:Lu-Na-O-Si,132.0,"Invalid WP multiplicities - AB5C12D4_hR396_155_2de_a2c2d19f_63f_15f:Lu-Na-O-Si, expected Na125Lu9(Si5O21)18 to be Na5Lu(SiO3)4" +mp-684821,NaCa2SiO4F,-6.6726239261,-3.0662598266,0.2913553031,0.2913553031,GGA,P1,A2BCD4E_aP36_1_8a_4a_4a_16a_4a:Ca-F-Na-O-Si,36.0,A2BCD4E_aP36_1_8a_4a_4a_16a_4a:Ca-F-Na-O-Si +mp-1173770,NaCa2SiO4F,-6.7684979589,-3.1621338593,0.1954812703,0.1954812703,GGA,P1,A2BCD4E_aP36_1_8a_4a_4a_16a_4a:Ca-F-Na-O-Si,36.0,A2BCD4E_aP36_1_8a_4a_4a_16a_4a:Ca-F-Na-O-Si +mp-554463,Na3LuSi2O7,-7.2269405547,-3.0757110594,0.0004444041,0.0004444041,GGA,P6_3/m,AB3C7D2_hP78_176_af_bcdi_h3i_i:Lu-Na-O-Si,78.0,"Invalid WP multiplicities - AB3C7D2_hP78_176_2a2f_2b2c2d2i_6h30i_i:Lu-Na-O-Si, expected Na3LuSiO33 to be Na3LuSi2O7" +mp-1210117,NaLuSiO4,-7.8351837657,-3.3986768102,0.0,-0.0225220253,GGA,Pnma,ABC4D_oP28_62_c_a_2cd_c:Lu-Na-O-Si,28.0,ABC4D_oP28_62_c_a_2cd_c:Lu-Na-O-Si +mp-1220922,NaTiFeO4,-7.8997084668,-2.5461665575,0.0167590759,0.0167590759,GGA+U,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Fe-Na-O-Ti,28.0,ABC4D_oP28_26_2a_ab_4a4b_2b:Fe-Na-O-Ti +mp-648745,NaTiFeO4,-7.8564185768,-2.5028766675,0.0600489659,0.0600489659,GGA+U,Pnma,ABC4D_oP28_62_c_c_4c_c:Fe-Na-O-Ti,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_14c_c:Fe-Na-O-Ti, expected NaTiFeO14 to be NaTiFeO4" +mp-1173765,Na2TiFe(PO4)3,-7.699871145799999,-2.7203587317,0.0051076265,0.0051076265,GGA+U,P1,AB2C12D3E_aP76_1_4a_8a_48a_12a_4a:Fe-Na-O-P-Ti,76.0,AB2C12D3E_aP76_1_4a_8a_48a_12a_4a:Fe-Na-O-P-Ti +mp-694979,Na2TiFe(PO4)3,-7.700740485,-2.7212280709,0.0042382873,0.0042382873,GGA+U,C2,AB2C12D3E_mC76_5_c_2c_12c_ab2c_c:Fe-Na-O-P-Ti,38.0,"Invalid WP multiplicities - AB2C12D3E_mC76_5_c_2c_22c_ab2c_c:Fe-Na-O-P-Ti, expected Na2TiFeP3O22 to be Na2TiFe(PO4)3" +mp-699888,Na2TiFe(PO4)3,-7.6604549339,-2.6809425198,0.0445238383,0.0445238383,GGA+U,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Fe-Na-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_cP76_198_a_5a_37b_b_a:Fe-Na-O-P-Ti, expected Na5TiFe(PO37)3 to be Na2TiFe(PO4)3" +mp-744690,NaLi3Ti2Fe2(PO4)6,-7.7537559198,-2.7279489604,0.0236787729,0.0236787729,GGA+U,P1,A2B3CD24E6F2_aP114_1_6a_9a_3a_72a_18a_6a:Fe-Li-Na-O-P-Ti,114.0,A2B3CD24E6F2_aP114_1_6a_9a_3a_72a_18a_6a:Fe-Li-Na-O-P-Ti +mp-849337,NaLi3Ti2Fe2(PO4)6,-7.7662923568,-2.7404853975,0.0111423359,0.0111423359,GGA+U,R3,A2B3CD24E6F2_hR114_146_2a_b_a_8b_2b_2a:Fe-Li-Na-O-P-Ti,38.0,"Invalid WP multiplicities - A2B3CD24E6F2_hR114_146_2a_b_a_22b_4b_2a:Fe-Li-Na-O-P-Ti, expected NaLi3Ti2Fe2(P2O11)6 to be NaLi3Ti2Fe2(PO4)6" +mp-773757,Na2Li5Ti3Fe(PO4)6,-7.5258391207,-2.756412138,0.0910864293,0.0910864293,GGA+U,P1,AB5C2D24E6F3_aP41_1_a_5a_2a_24a_6a_3a:Fe-Li-Na-O-P-Ti,41.0,AB5C2D24E6F3_aP41_1_a_5a_2a_24a_6a_3a:Fe-Li-Na-O-P-Ti +mp-1221213,Na3TiFe3O8,-7.261487306,-2.1383778915,0.0220346897,0.0220346897,GGA+U,P2/m,A3B3C8D_mP15_10_aj_gk_mno_b:Fe-Na-O-Ti,15.0,"Invalid WP multiplicities - A3B3C8D_mP15_10_aj_c2l_2m2n4o_b:Fe-Na-O-Ti, expected Na5Ti(FeO8)3 to be Na3TiFe3O8" +mp-1101725,Na6Li3Fe6(PO4)8,-7.2746159804,-2.436752227,0.039931085,0.039931085,GGA+U,P1,A6B3C6D32E8_aP55_1_6a_3a_6a_32a_8a:Fe-Li-Na-O-P,55.0,A6B3C6D32E8_aP55_1_6a_3a_6a_32a_8a:Fe-Li-Na-O-P +mp-1220877,NaTi3FeO8,-8.6135333469,-2.9941077897,0.0139204242,0.0139204242,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Fe-Na-O-Ti,13.0,ABC8D3_mC26_8_a_a_8a_3a:Fe-Na-O-Ti +mp-772859,Na2Ti3Fe(PO4)6,-7.9552485442,-2.7885293231,0.055756148,0.055756148,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Fe-Na-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_24b_4b_3a:Fe-Na-O-P-Ti, expected Na2Ti3Fe(PO6)12 to be Na2Ti3Fe(PO4)6" +mp-1218645,Sr4CeY3Fe2(Cu2O9)2,-7.4162881719,-2.5891712278,0.0401254137,0.0401254137,GGA+U,Pmm2,AB4C2D18E4F3_oP32_25_a_2a2d_ad_2a7b7c2d_2a2d_a2d:Ce-Cu-Fe-O-Sr-Y,32.0,AB4C2D18E4F3_oP32_25_a_2a2d_ad_2a7b7c2d_2a2d_a2d:Ce-Cu-Fe-O-Sr-Y +mp-1218662,Sr6Ce2Y4Fe3(CuO8)3,-7.7143438664,-2.8501239571,0.028634386,0.028634386,GGA+U,Cm,A2B3C3D24E6F4_mC84_8_2a_3a_3a_6a9b_6a_4a:Ce-Cu-Fe-O-Sr-Y,42.0,"Invalid WP multiplicities - A2B3C3D24E6F4_mC84_8_2a_3a_3a_6a17b_6a_4a:Ce-Cu-Fe-O-Sr-Y, expected Sr6Ce2Y4Fe3Cu3O40 to be Sr6Ce2Y4Fe3(CuO8)3" +mp-1218736,Sr6Ce2Y4Fe3(CuO8)3,-7.7034013886,-2.8391814792,0.0395768639,0.0395768639,GGA+U,P4mm,A2B3C3D24E6F4_tP42_99_2a_3b_3a_3a3b9c_3a3b_a3b:Ce-Cu-Fe-O-Sr-Y,42.0,"Invalid WP multiplicities - A2B3C3D24E6F4_tP42_99_2a_3b_3a_3a3b18c_3a3b_a3b:Ce-Cu-Fe-O-Sr-Y, expected Sr6Ce2Y4Fe3(CuO14)3 to be Sr6Ce2Y4Fe3(CuO8)3" +mp-1226680,CeFeCu,-6.200953865,-0.0335148533,0.0947622142,0.0947622142,GGA,Imma,ABC_oI12_74_e_a_c:Ce-Cu-Fe,6.0,ABC_oI12_74_e_a_c:Ce-Cu-Fe +mp-1226697,CeYFe17,-8.2255536921,0.0054947731,0.0318212234,0.0318212234,GGA,R3m,AB17C_hR57_160_a_2a3bc_a:Ce-Fe-Y,19.0,AB17C_hR57_160_a_2a3bc_a:Ce-Fe-Y +mp-1226946,CeYFe17,-8.2268948568,0.0041536083,0.0304800587,0.0304800587,GGA,P6_3/mmc,AB17C_hP38_194_c_fgjk_b:Ce-Fe-Y,38.0,AB17C_hP38_194_c_fgjk_b:Ce-Fe-Y +mp-1105352,CeFe4(CuO4)3,-7.2602130695,-1.6866601425,0.0594801218,0.0594801218,GGA+U,Im-3,AB3C4D12_cI40_204_a_b_c_g:Ce-Cu-Fe-O,20.0,AB3C4D12_cI40_204_a_b_c_g:Ce-Cu-Fe-O +mp-1226473,CeYFe4,-7.7647408083,-0.0514666236,0.0205680425,0.0205680425,GGA,F-43m,AB4C_cF24_216_a_e_c:Ce-Fe-Y,6.0,AB4C_cF24_216_a_e_c:Ce-Fe-Y +mp-1105721,NaCr2In(H2O5)2,-6.4325770256,-1.6315717336,0.0,-0.0027015605,GGA+U,C2/m,A2B4CDE10_mC36_12_i_2i_a_c_3ij:Cr-H-In-Na-O,18.0,A2B4CDE10_mC36_12_i_2i_a_d_3ij:Cr-H-In-Na-O +mp-2231703,NaMgCr2In(H2O5)2,-6.3978935384,-1.7653474697,0.1177002869,0.1177002869,GGA+U,P1,A2B4CDEF10_aP19_1_2a_4a_a_a_a_10a:Cr-H-In-Mg-Na-O,19.0,A2B4CDEF10_aP19_1_2a_4a_a_a_a_10a:Cr-H-In-Mg-Na-O +mp-2231270,NaMgCr2In(H2O5)2,-6.3383033153,-1.7057572465000002,0.1772905101,0.1772905101,GGA+U,Cm,A2B4CDEF10_mC38_8_2a_4a_a_a_a_6a2b:Cr-H-In-Mg-Na-O,19.0,A2B4CDEF10_mC38_8_2a_4a_a_a_a_6a2b:Cr-H-In-Mg-Na-O +mp-2218796,MgCr3InO8,-7.4863904069,-1.8798814931,0.4118076938,0.4118076938,GGA+U,Cm,A3BCD8_mC26_8_3a_a_a_4a2b:Cr-In-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_3a_a_a_4a4b:Cr-In-Mg-O, expected MgCr3InO12 to be MgCr3InO8" +mp-2218505,MgCr3InO8,-7.6614616354,-2.0549527215,0.2367364653,0.2367364653,GGA+U,Cm,A3BCD8_mC26_8_3a_a_a_4a2b:Cr-In-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_8_3a_a_a_4a4b:Cr-In-Mg-O, expected MgCr3InO12 to be MgCr3InO8" +mp-2218539,MgCr3InO8,-7.4907826331,-1.8842737192,0.4074154676,0.4074154676,GGA+U,C2/m,A3BCD8_mC26_12_ci_a_b_2ij:Cr-In-Mg-O,13.0,"Invalid WP multiplicities - A3BCD8_mC26_12_ci_b_a_4i3j:Cr-In-Mg-O, expected MgCr3InO20 to be MgCr3InO8" +mp-2712825,Na6Ta6In2Si9(SO16)3,-8.0124882215,-2.833252343,0.0740680445,0.0740680445,GGA,P1,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:In-Na-O-S-Si-Ta,222.0,A2B6C48D3E9F6_aP222_1_6a_18a_144a_9a_27a_18a:In-Na-O-S-Si-Ta +mp-2713531,TaInSi(SO6)2,-7.514651314,-2.3577134517,0.0804869645,0.0804869645,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:In-O-S-Si-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:In-O-S-Si-Ta, expected TaInSiS3O20 to be TaInSi(SO6)2" +mp-2715895,Na10Ta2In6Si7S5O48,-6.9341399275,-2.4527111549,0.108342916,0.108342916,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:In-Na-O-S-Si-Ta,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:In-Na-O-S-Si-Ta +mp-2716408,Na10Ta6In2Si11SO48,-7.9459782215,-2.9314744714,0.0455458968,0.0455458968,GGA,P1,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:In-Na-O-S-Si-Ta,234.0,A2B10C48DE11F6_aP234_1_6a_30a_144a_3a_33a_18a:In-Na-O-S-Si-Ta +mp-2713206,Na10Ta7In(SiO4)12,-8.2083986378,-3.0606261433,0.0164388451,0.0164388451,GGA,P1,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:In-Na-O-Si-Ta,234.0,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:In-Na-O-Si-Ta +mp-2713750,Na2Ta5In3Si6(SO8)6,-7.8032088971,-2.5889138193,0.0602874209,0.0602874209,GGA,P1,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:In-Na-O-S-Si-Ta,210.0,A3B2C48D6E6F5_aP210_1_9a_6a_144a_18a_18a_15a:In-Na-O-S-Si-Ta +mp-2715103,Na4Ta3InSi5SO24,-7.9800259107,-2.8853236244,0.0639262115,0.0639262115,GGA,P1,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:In-Na-O-S-Si-Ta,114.0,AB4C24DE5F3_aP114_1_3a_12a_72a_3a_15a_9a:In-Na-O-S-Si-Ta +mp-2712672,Na2TaInSi2SO12,-7.4197935002,-2.5986428471,0.136354913,0.136354913,GGA,Cc,AB2C12DE2F_mC76_9_a_2a_12a_a_2a_a:In-Na-O-S-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC76_9_a_2a_72a_a_12a_a:In-Na-O-S-Si-Ta, expected Na2TaInSi12SO72 to be Na2TaInSi2SO12" +mp-2713797,Ta3InSi3(SO8)3,-8.1092082107,-2.6465361701,0.0469712,0.0469712,GGA,P1,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:In-O-S-Si-Ta,102.0,AB24C3D3E3_aP102_1_3a_72a_9a_9a_9a:In-O-S-Si-Ta +mp-2716549,Na4TaIn(SiO4)3,-7.3491444229,-2.7998215105,0.0360928813,0.0360928813,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:In-Na-O-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:In-Na-O-Si-Ta, expected Na4TaIn(SiO12)3 to be Na4TaIn(SiO4)3" +mp-2715346,Na6Ta3In(SiO4)6,-7.9142000531,-2.9758849124,0.0190649989,0.0190649989,GGA,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:In-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB6C24D6E3_aP40_1_a_12a_48a_12a_6a:In-Na-O-Si-Ta, expected Na12Ta6In(SiO4)12 to be Na6Ta3In(SiO4)6" +mp-2715347,Na6Ta3In(SiO4)6,-7.913268442,-2.9749533012,0.01999661,0.01999661,GGA,P1,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:In-Na-O-Si-Ta,120.0,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:In-Na-O-Si-Ta +mp-2713617,Na4TaIn3Si3(SO8)3,-6.9371303877,-2.3895313679,0.1060488568,0.1060488568,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:In-Na-O-S-Si-Ta,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:In-Na-O-S-Si-Ta +mp-2713172,Na10TaIn7Si6(SO8)6,-6.6916189459,-2.3434589178,0.100955841,0.100955841,GGA,P1,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:In-Na-O-S-Si-Ta,234.0,A7B10C48D6E6F_aP234_1_21a_30a_144a_18a_18a_3a:In-Na-O-S-Si-Ta +mp-2716134,Na8TaIn3Si5SO24,-6.8919207548,-2.5900969393,0.0567028819,0.0567028819,GGA,P1,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:In-Na-O-S-Si-Ta,126.0,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:In-Na-O-S-Si-Ta +mp-2714202,Na10Ta4In4Si9(SO16)3,-7.4095192891,-2.6615530278,0.108259476,0.108259476,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:In-Na-O-S-Si-Ta,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:In-Na-O-S-Si-Ta +mp-2715527,Na2Ta6In2Si7S5O48,-8.091360479,-2.7285659431,0.044840322,0.044840322,GGA,P1,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:In-Na-O-S-Si-Ta,210.0,A2B2C48D5E7F6_aP210_1_6a_6a_144a_15a_21a_18a:In-Na-O-S-Si-Ta +mp-1218117,Ta3(InS3)2,-7.1944809464,-1.2039900781,0.0,-0.0009283973,GGA,R32,A2B6C3_hR33_155_c_f_ac:In-S-Ta,11.0,A2B6C3_hR33_155_c_f_ac:In-S-Ta +mp-2713046,Na6Ta4In4Si7S5O48,-7.4892223814,-2.5909314235,0.0778496333,0.0778496333,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:In-Na-O-S-Si-Ta,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:In-Na-O-S-Si-Ta +mp-2715668,Na2Ta3InSi4(SO12)2,-8.0613022044,-2.7928364229,0.051214648,0.051214648,GGA,P1,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:In-Na-O-S-Si-Ta,108.0,AB2C24D2E4F3_aP108_1_3a_6a_72a_6a_12a_9a:In-Na-O-S-Si-Ta +mp-2716329,Na6Ta3In5Si6(SO8)6,-7.2078187894,-2.4500002918,0.0995110997,0.0995110997,GGA,P1,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:In-Na-O-S-Si-Ta,222.0,A5B6C48D6E6F3_aP222_1_15a_18a_144a_18a_18a_9a:In-Na-O-S-Si-Ta +mp-2713080,TaIn3SiS5O24,-6.9805653496,-2.1293616657,0.0535317967,0.0535317967,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:In-O-S-Si-Ta,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:In-O-S-Si-Ta +mp-2715864,Na6Ta2In6Si5S7O48,-6.9458685712,-2.3285225339,0.0980447177,0.0980447177,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:In-Na-O-S-Si-Ta,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:In-Na-O-S-Si-Ta +mp-2714364,Na14Ta4In4Si11SO48,-7.3902983281,-2.7779909392,0.0420112366,0.0420112366,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:In-Na-O-S-Si-Ta,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:In-Na-O-S-Si-Ta +mp-2712554,Na2TaIn3Si2(SO6)4,-6.9765584722,-2.2855905832,0.0681296414,0.0681296414,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:In-Na-O-S-Si-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:In-Na-O-S-Si-Ta +mp-2713735,Na6Ta2In2Si5SO24,-7.4087032207,-2.7302621315,0.0696007702,0.0696007702,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:In-Na-O-S-Si-Ta,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:In-Na-O-S-Si-Ta +mp-22332,TaInS2,-6.829954595,-1.1093643216,0.0,-0.00570675,GGA,P-6m2,AB2C_hP4_187_a_g_d:In-S-Ta,4.0,AB2C_hP4_187_a_g_d:In-S-Ta +mp-1101055,TaInS2,-6.7986229875,-1.0780327141,0.0313316075,0.0256248575,GGA,P6_3/mmc,AB2C_hP8_194_a_f_b:In-S-Ta,8.0,AB2C_hP8_194_a_f_b:In-S-Ta +mp-2715203,Na14Ta2In6Si9(SO16)3,-6.8995769375,-2.5408052088,0.0854824904,0.0854824904,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:In-Na-O-S-Si-Ta,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:In-Na-O-S-Si-Ta +mp-2716212,Na2Ta4In4Si5S7O48,-7.5139425817,-2.4481469619,0.0768492534,0.0768492534,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:In-Na-O-S-Si-Ta,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:In-Na-O-S-Si-Ta +mp-2712898,Na14Ta5In3(SiO4)12,-7.6247894757,-2.8857142568,0.0311261908,0.0311261908,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:In-Na-O-Si-Ta,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:In-Na-O-Si-Ta +mp-2714402,Na6TaIn3Si4(SO12)2,-6.9157702826000005,-2.497203245,0.100631989,0.100631989,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:In-Na-O-S-Si-Ta,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:In-Na-O-S-Si-Ta +mp-1218110,Ta2InS4,-7.4013228086,-1.2566030289,0.0,-0.0137889969,GGA,Imm2,AB4C2_oI14_44_a_2c_c:In-S-Ta,7.0,"Invalid WP multiplicities - AB4C2_oI14_44_a_3c_c:In-S-Ta, expected Ta2InS6 to be Ta2InS4" +mp-2716315,Na2Ta2In6Si3(S3O16)3,-6.986761191,-2.2179644873,0.0548615785,0.0548615785,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:In-Na-O-S-Si-Ta,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:In-Na-O-S-Si-Ta +mp-2715561,Na8Ti2In2Si5SO24,-7.0258945673,-2.6959392595,0.05562745,0.05562745,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Ti,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:In-Na-O-S-Si-Ti +mp-2715992,Na6Ti4In4Si5S7O48,-7.1128518333,-2.4635727508,0.0748521941,0.0748521941,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Ti,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:In-Na-O-S-Si-Ti +mp-2712697,NaTiInSi(SO6)2,-7.1204928668,-2.3967049035,0.0719801724,0.0719801724,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:In-Na-O-S-Si-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:In-Na-O-S-Si-Ti, expected NaTiInSiS3O20 to be NaTiInSi(SO6)2" +mp-2713697,Na4Ti2In2Si3(SO8)3,-7.080227586,-2.5015358642,0.1029584302,0.1029584302,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:In-Na-O-S-Si-Ti,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:In-Na-O-S-Si-Ti +mp-2712950,Ti2In2SiS5O24,-7.1506654988,-2.264711148,0.0345081544,0.0345081544,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Ti,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:In-O-S-Si-Ti +mp-2714450,Na3TiInSi2SO12,-7.0544508694,-2.606345765,0.0940464725,0.0940464725,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:In-Na-O-S-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:In-Na-O-S-Si-Ti, expected Na13TiInSi7SO72 to be Na3TiInSi2SO12" +mp-2716327,Na5TiIn3Si3(SO8)3,-6.7511352855,-2.3878275307,0.1096479287,0.1096479287,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:In-Na-O-S-Si-Ti +mp-2715957,Na10Ti4In4Si7S5O48,-7.0618630247,-2.5501387989,0.1170366732,0.1170366732,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Ti,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:In-Na-O-S-Si-Ti +mp-2714920,Na3Ti3InSi3(SO8)3,-7.4468176907,-2.6410996253,0.0761983059,0.0761983059,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Ti,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-S-Si-Ti +mp-2714631,Na14Ti4In4Si9(SO16)3,-7.042700178,-2.6551108231,0.0739574512,0.0739574512,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Ti,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:In-Na-O-S-Si-Ti +mp-1221269,Na3GdTi2Nb2O12,-8.796801812,-3.1269239736,0.0116724122,0.0116724122,GGA,P1,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Gd-Na-Nb-O-Ti,20.0,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Gd-Na-Nb-O-Ti +mp-1173782,Na3GdTi2Nb2O12,-8.8020407587,-3.1321629203,0.0064334654,0.0064334654,GGA,Pmc2_1,AB3C2D12E2_oP40_26_a_bc_c_ab5c_c:Gd-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_oP40_26_a_bc_c_2a2b12c_c:Gd-Na-Nb-O-Ti, expected Na3GdTi2Nb2O28 to be Na3GdTi2Nb2O12" +mp-1221023,NaGdTiNbO6F,-9.27169231,-3.3637781441,0.0511847005,0.0511847005,GGA,Imma,ABCDE6F_oI44_74_e_a_c_b_2ej_d:F-Gd-Na-Nb-O-Ti,22.0,"Invalid WP multiplicities - ABCDE6F_oI44_74_e_a_c_b_4e2j_d:F-Gd-Na-Nb-O-Ti, expected NaGdTiNbO12F to be NaGdTiNbO6F" +mp-42981,NaGdTiNbO6F,-9.2771062741,-3.3691921082,0.0457707364,0.0457707364,GGA,P4_322,ABCDE6F_tP44_95_c_a_b_b_2c2d_a:F-Gd-Na-Nb-O-Ti,44.0,"Invalid WP multiplicities - ABCDE6F_tP44_95_c_a_b_b_5c8d_a:F-Gd-Na-Nb-O-Ti, expected NaGdTiNbO21F to be NaGdTiNbO6F" +mp-1221317,Na2ScIn(SiO3)4,-7.6983549505,-3.0588179467,0.0018268015,0.0018268015,GGA,C2,AB2C12DE4_mC40_5_a_ab_6c_b_2c:In-Na-O-Sc-Si,20.0,AB2C12DE4_mC40_5_a_ab_6c_b_2c:In-Na-O-Sc-Si +mp-2713823,Na6Sc4In4Si3(S3O16)3,-6.9468065045,-2.4168494216,0.0638505139,0.0638505139,GGA,P1,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:In-Na-O-S-Sc-Si,222.0,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:In-Na-O-S-Sc-Si +mp-2713221,Na2ScInSi(SO6)2,-6.9297214488000005,-2.467211674,0.0722409356,0.0722409356,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-S-Sc-Si,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-S-Sc-Si +mp-2714217,Na2Sc4In4SiS11O48,-6.9781716107000005,-2.3017575159,0.0321789744,0.0321789744,GGA,P1,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:In-Na-O-S-Sc-Si,210.0,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:In-Na-O-S-Sc-Si +mp-1221158,Na4ScIn3(SiO3)8,-7.479739462,-2.9297220925,0.0009900373,0.0009900373,GGA,C2,A3B4C24DE8_mC80_5_ac_abc_12c_b_4c:In-Na-O-Sc-Si,40.0,"Invalid WP multiplicities - A3B4C24DE8_mC80_5_ac_abc_21c_b_7c:In-Na-O-Sc-Si, expected Na4ScIn3(SiO3)14 to be Na4ScIn3(SiO3)8" +mp-1093850,NaScIn2,-1.8001989850000002,1.4893914796,1.77343685,1.77343685,GGA,Immm,A2BC_oI8_71_e_a_b:In-Na-Sc,4.0,A2BC_oI8_71_e_a_b:In-Na-Sc +mp-2715641,Na14Sc4In4Si7S5O48,-6.8648109774,-2.5849024513,0.0993958069,0.0993958069,GGA,P1,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:In-Na-O-S-Sc-Si,246.0,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:In-Na-O-S-Sc-Si +mp-2714461,Na4ScInSi2SO12,-6.8507771194,-2.6259388113,0.0780311076,0.0780311076,GGA,P1,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:In-Na-O-S-Sc-Si,126.0,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:In-Na-O-S-Sc-Si +mp-2716194,Na6Sc2In2Si3(SO8)3,-6.8871427315,-2.5494104767,0.09873458,0.09873458,GGA,P1,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:In-Na-O-S-Sc-Si,120.0,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:In-Na-O-S-Sc-Si +mp-2713963,ScIn(SO4)3,-7.0007054232,-2.2446014838,0.009478426,0.009478426,GGA,P321,AB12C3D_hP102_150_2cd_12g_ef2g_3d:In-O-S-Sc,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_3cd_20g_ef4g_5d:In-O-S-Sc, expected Sc5In4(SO4)15 to be ScIn(SO4)3" +mp-1221157,Na4Sc3In(SiO3)8,-7.9185205638,-3.1894639255,0.001113441,0.001113441,GGA,P2,AB4C24D3E8_mP40_3_a_abcd_12e_bcd_4e:In-Na-O-Sc-Si,40.0,"Invalid WP multiplicities - AB4C24D3E8_mP40_3_a_abcd_24e_bcd_8e:In-Na-O-Sc-Si, expected Na4Sc3In(SiO3)16 to be Na4Sc3In(SiO3)8" +mp-1201644,Sc3InS6,-6.3965197705,-1.7397407459,0.1299424411,0.1299424411,GGA,P2_12_12,AB6C3_oP40_18_ab_6c_3c:In-S-Sc,40.0,AB6C3_oP40_18_ab_6c_3c:In-S-Sc +mp-2715003,Na10Sc4In4Si5S7O48,-6.9074316355,-2.5089103325,0.0862819935,0.0862819935,GGA,P1,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:In-Na-O-S-Sc-Si,234.0,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:In-Na-O-S-Sc-Si +mp-2714603,Na2Sc2In2SiS5O24,-6.9675563598,-2.3664048962,0.0429516979,0.0429516979,GGA,P1,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:In-Na-O-S-Sc-Si,108.0,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:In-Na-O-S-Sc-Si +mp-759457,Li8NbNi3(PO4)6,-7.106015696,-2.4890289787,0.0971025918,0.0971025918,GGA+U,R3,A8BC3D24E6_hR126_146_2a2b_a_3a_8b_2b:Li-Nb-Ni-O-P,42.0,"Invalid WP multiplicities - A8BC3D24E6_hR126_146_2a3b_a_3a_17b_2b:Li-Nb-Ni-O-P, expected Li11NbNi3(P2O17)3 to be Li8NbNi3(PO4)6" +mp-758591,Li4Mn3Nb2Ni3O16,-7.567968855,-2.146119682,0.039488217,0.039488217,GGA+U,Cm,A4B3C2D3E16_mC56_8_4a_ab_2a_ab_8a4b:Li-Mn-Nb-Ni-O,28.0,"Invalid WP multiplicities - A4B3C2D3E16_mC56_8_4a_ab_2a_ab_8a6b:Li-Mn-Nb-Ni-O, expected Li4Mn3Nb2Ni3O20 to be Li4Mn3Nb2Ni3O16" +mp-775770,Mn3NbNi2(PO4)6,-7.97745544,-2.4122340959,0.0598633902,0.0598633902,GGA+U,R3,A3BC2D24E6_hR108_146_3a_a_2a_8b_2b:Mn-Nb-Ni-O-P,36.0,"Invalid WP multiplicities - A3BC2D24E6_hR108_146_3a_a_2a_22b_2b:Mn-Nb-Ni-O-P, expected Mn3NbNi2(PO11)6 to be Mn3NbNi2(PO4)6" +mp-861478,Li4Mn3Nb(PO4)4,-7.7566004489,-2.5414835993,0.1138561033,0.1138561033,GGA+U,Pm,A4B3CD16E4_mP28_6_2c_a2b_a_4a4b4c_2a2b:Li-Mn-Nb-O-P,28.0,A4B3CD16E4_mP28_6_2c_a2b_a_4a4b4c_2a2b:Li-Mn-Nb-O-P +mp-1176556,Mn2NbNi3(PO4)6,-7.7929292233,-2.3216489518,0.0835413771,0.0835413771,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Mn-Nb-Ni-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_22b_2b:Mn-Nb-Ni-O-P, expected Mn2NbNi3(PO11)6 to be Mn2NbNi3(PO4)6" +mp-1176954,Li6NbNi3(PO4)6,-7.2156926497,-2.46330274,0.0776295544,0.0776295544,GGA+U,P1,A6BC3D24E6_aP40_1_6a_a_3a_24a_6a:Li-Nb-Ni-O-P,40.0,A6BC3D24E6_aP40_1_6a_a_3a_24a_6a:Li-Nb-Ni-O-P +mp-776611,Li4Mn2NbNi3(PO4)6,-7.5512186413,-2.4361741102,0.0983800767,0.0983800767,GGA+U,P1,A4B2CD3E24F6_aP40_1_4a_2a_a_3a_24a_6a:Li-Mn-Nb-Ni-O-P,40.0,A4B2CD3E24F6_aP40_1_4a_2a_a_3a_24a_6a:Li-Mn-Nb-Ni-O-P +mp-780717,Li8Mn7Nb(PO4)12,-7.705225843,-2.548548432,0.0124734951,0.0124734951,GGA+U,P1,A8B7CD48E12_aP76_1_8a_7a_a_48a_12a:Li-Mn-Nb-O-P,76.0,A8B7CD48E12_aP76_1_8a_7a_a_48a_12a:Li-Mn-Nb-O-P +mp-2716103,Na6Ga4Si5Sn4S7O48,-6.6843124195,-2.2301418705,0.1074870309,0.1074870309,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Sn,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Sn +mp-2713348,Na5Ga3Si3Sn(SO8)3,-6.5859900332,-2.301058773,0.1387496479,0.1387496479,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Sn +mp-2713593,Na4Ga2Si3Sn2(SO8)3,-6.6766674898,-2.2879498664,0.1266138553,0.1266138553,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Sn,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Sn +mp-2715181,Na14Ga4Si9Sn4(SO16)3,-6.6735387280000005,-2.4620229276,0.0967308603,0.0967308603,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Sn,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Sn +mp-2714340,Na3GaSi2SnSO12,-6.6627678897,-2.3951381787,0.1352294017,0.1352294017,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ga-Na-O-S-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Ga-Na-O-S-Si-Sn, expected Na13GaSi7SnSO72 to be Na3GaSi2SnSO12" +mp-2712773,NaGaSiSn(SO6)2,-6.6917169764,-2.1684572281,0.0879626964,0.0879626964,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ga-Na-O-S-Si-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ga-Na-O-S-Si-Sn, expected NaGaSiSnS3O20 to be NaGaSiSn(SO6)2" +mp-2716330,Na2Ga4Si3Sn4(S3O16)3,-6.665430962,-2.0691340602,0.0798286124,0.0798286124,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Sn,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Sn +mp-2716225,Na8Ga2Si5Sn2SO24,-6.6695369998,-2.5114630191,0.0719590212,0.0719590212,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Sn,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Sn +mp-2716524,Na3GaSi3Sn3(SO8)3,-6.773085897,-2.2749718368,0.1129826073,0.1129826073,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Sn,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Sn +mp-2713010,Ga2SiSn2S5O24,-6.6565814283,-1.9829510698,0.0522333361,0.0522333361,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Sn,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Sn +mp-2715938,Na10Ga4Si7Sn4S5O48,-6.6681097558,-2.3414884977,0.1460646688,0.1460646688,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Sn,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Sn +mp-1218616,Sr3CaAl8(SiO5)8,-7.3573340237,-2.7188543642000003,0.2651513748,0.2651513748,GGA,Cm,A8BC40D8E3_mC120_8_4b_a_4a18b_4b_ab:Al-Ca-O-Si-Sr,60.0,"Invalid WP multiplicities - A8BC40D8E3_mC120_8_8b_a_4a34b_8b_ab:Al-Ca-O-Si-Sr, expected Sr3CaAl16(Si2O9)8 to be Sr3CaAl8(SiO5)8" +mp-1218635,SrCa3Al8(SiO5)8,-7.362882831,-2.7138662906,0.2687156195,0.2687156195,GGA,Pm,A8B3C40D8E_mP60_6_4c_a2b_4a4b16c_4c_a:Al-Ca-O-Si-Sr,60.0,"Invalid WP multiplicities - A8B3C40D8E_mP60_6_7c_a2b_4a4b32c_8c_a:Al-Ca-O-Si-Sr, expected SrCa3Al14(Si2O9)8 to be SrCa3Al8(SiO5)8" +mp-24802,Sr2Al3Si3HO13,-7.7549170742,-3.2734921752,0.0269543235,0.0269543235,GGA,Pnma,A3BC13D3E2_oP88_62_cd_c_7c3d_3c_2c:Al-H-O-Si-Sr,88.0,"Invalid WP multiplicities - A3BC13D3E2_oP88_62_cd_c_11c4d_4c_2c:Al-H-O-Si-Sr, expected Sr2Al3Si4HO19 to be Sr2Al3Si3HO13" +mp-570485,SrAlSiH,-4.0232626175,-0.4599842779,0.0,-0.0482798541,GGA,P3m1,ABCD_hP4_156_a_a_b_c:Al-H-Si-Sr,4.0,ABCD_hP4_156_a_a_b_c:Al-H-Si-Sr +mp-1218540,SrCa4Al10(SiO5)10,-7.2846596257,-2.6345893972,0.34785013,0.34785013,GGA,P1,A10B4C50D10E_aP150_1_20a_8a_100a_20a_2a:Al-Ca-O-Si-Sr,150.0,A10B4C50D10E_aP150_1_20a_8a_100a_20a_2a:Al-Ca-O-Si-Sr +mp-1218654,SrCa3Al6Si6(HO13)2,-7.7792271755,-3.2762495655,0.0188867936,0.0188867936,GGA,Pm,A6B3C2D26E6F_mP44_6_ab2c_a2b_ab_7a7b6c_3a3b_a:Al-Ca-H-O-Si-Sr,44.0,"Invalid WP multiplicities - A6B3C2D26E6F_mP44_6_ab2c_a2b_ab_7a7b9c_3a3b_a:Al-Ca-H-O-Si-Sr, expected SrCa3Al6Si6(HO16)2 to be SrCa3Al6Si6(HO13)2" +mp-1234488,Sr2Ca(H4O3)2,-5.3055509065,-1.6463434115000002,0.2358798088,0.2358798088,GGA,P1,AB8C6D2_aP17_1_a_8a_6a_2a:Ca-H-O-Sr,17.0,AB8C6D2_aP17_1_a_8a_6a_2a:Ca-H-O-Sr +mp-1218728,SrCa2Al6(SiO5)6,-7.3620451289,-2.7147847353,0.2680344796,0.2680344796,GGA,P1,A6B2C30D6E_aP90_1_12a_4a_60a_12a_2a:Al-Ca-O-Si-Sr,90.0,A6B2C30D6E_aP90_1_12a_4a_60a_12a_2a:Al-Ca-O-Si-Sr +mp-1218507,SrCaAl4(SiO5)4,-7.3359781797,-2.6922300797,0.2910637448,0.2910637448,GGA,Pm,A4BC20D4E_mP30_6_2c_a_2a2b8c_2c_b:Al-Ca-O-Si-Sr,30.0,"Invalid WP multiplicities - A4BC20D4E_mP30_6_2c_a_2a2b12c_3c_b:Al-Ca-O-Si-Sr, expected SrCaAl4(Si3O14)2 to be SrCaAl4(SiO5)4" +mp-2714469,Na3LaSi2SnSO12,-6.9739069297,-2.6108816646,0.1434724933,0.1434724933,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:La-Na-O-S-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:La-Na-O-S-Si-Sn, expected Na13LaSi7SnSO72 to be Na3LaSi2SnSO12" +mp-2714878,Na14La4Si9Sn4(SO16)3,-6.9723980834,-2.6678134497,0.1054224799,0.1054224799,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Sn,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:La-Na-O-S-Si-Sn +mp-2713616,Na4La2Si3Sn2(SO8)3,-6.9955615057,-2.5064275095,0.1802351019,0.1802351019,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Sn,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:La-Na-O-S-Si-Sn +mp-2716094,Na6La4Si5Sn4S7O48,-7.059828184,-2.5025273061,0.138186052,0.138186052,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Sn,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:La-Na-O-S-Si-Sn +mp-2714637,Na3LaSi3Sn3(SO8)3,-6.9370168742,-2.3873376496,0.1639747943,0.1639747943,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Sn,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:La-Na-O-S-Si-Sn +mp-2715926,Na10La4Si7Sn4S5O48,-6.9805777356,-2.5561148835000003,0.1741406093,0.1741406093,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Sn,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:La-Na-O-S-Si-Sn +mp-2715726,Na8La2Si5Sn2SO24,-6.9532760901,-2.7043492007000003,0.0863049113,0.0863049113,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Sn,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:La-Na-O-S-Si-Sn +mp-560740,La2SnS3O2,-7.0167713528,-2.4937322168,0.0,-0.0030424828,GGA,Pnma,A2B2C3D_oP32_62_d_d_cd_c:La-O-S-Sn,32.0,"Invalid WP multiplicities - A2B2C3D_oP32_62_d_d_4c4d_c:La-O-S-Sn, expected La2Sn(S6O)2 to be La2SnS3O2" +mp-2713461,Na5La3Si3Sn(SO8)3,-7.1136501934,-2.6819565422,0.1331152026,0.1331152026,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:La-Na-O-S-Si-Sn +mp-2716286,Na2La4Si3Sn4(S3O16)3,-7.067555965,-2.3622355728,0.1319459976,0.1319459976,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Sn,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:La-Na-O-S-Si-Sn +mp-1223487,La12Si4SnS28,-6.4758107187,-2.0143990407,0.0,-0.0077133652,GGA,P1,A12B28C4D_aP45_1_12a_28a_4a_a:La-S-Si-Sn,45.0,A12B28C4D_aP45_1_12a_28a_4a_a:La-S-Si-Sn +mp-2712778,NaLaSiSn(SO6)2,-7.0525265759,-2.4232717675,0.168939601,0.168939601,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:La-Na-O-S-Si-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:La-Na-O-S-Si-Sn, expected NaLaSiSnS3O20 to be NaLaSiSn(SO6)2" +mp-2712941,La2SiSn2S5O24,-7.1064381416,-2.3205777194,0.0698075943,0.0698075943,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Sn,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:La-O-S-Si-Sn +mp-1201326,Si4Te2H44Pt(C8Cl)2,-5.0706263054,-0.2199787053,0.096067444,0.096067444,GGA,C2/c,A16B2C44DE4F2_mC276_15_8f_f_22f_c_2f_f:C-Cl-H-Pt-Si-Te,138.0,A16B2C44DE4F2_mC276_15_8f_f_22f_a_2f_f:C-Cl-H-Pt-Si-Te +mp-29397,SiTePt,-5.5597981137,-0.6798790326,0.0,-0.1251486358,GGA,Pbca,ABC_oP24_61_c_c_c:Pt-Si-Te,24.0,ABC_oP24_61_c_c_c:Pt-Si-Te +mp-1223684,KNaMg3Zn2(Si2O5)6,-7.6462214252,-3.0899412352,0.0,-0.0048121661,GGA,C2,AB3CD30E12F2_mC196_5_ab_3c_c_30c_12c_abc:K-Mg-Na-O-Si-Zn,98.0,"Invalid WP multiplicities - AB3CD30E12F2_mC196_5_ab_4c_c_60c_24c_abc:K-Mg-Na-O-Si-Zn, expected KNaMg4Zn2(Si2O5)12 to be KNaMg3Zn2(Si2O5)6" +mp-1224589,K2Mg3Zn2(Si2O5)6,-7.6460692159,-3.0941181351,0.0,-0.0030078148,GGA,C2,A2B3C30D12E2_mC196_5_abc_3c_30c_12c_abc:K-Mg-O-Si-Zn,98.0,"Invalid WP multiplicities - A2B3C30D12E2_mC196_5_abc_4c_60c_24c_abc:K-Mg-O-Si-Zn, expected KMg2Zn(Si2O5)6 to be K2Mg3Zn2(Si2O5)6" +mp-1196368,K2Na6Zn4Si14O45,-6.5036058275,-2.0845865525,0.4370836982,0.4370836982,GGA,Cm,A2B6C45D14E4_mC142_8_b_2a2b_3a21b_7b_2b:K-Na-O-Si-Zn,71.0,A2B6C45D14E4_mC142_8_b_2a2b_3a21b_7b_2b:K-Na-O-Si-Zn +mp-1027978,KMg14Zn,-1.4542905981,0.0940883554,0.1307200583,0.1307200583,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Zn, expected KMg18Zn to be KMg14Zn" +mp-1027957,KMg14Zn,-1.4472775588,0.1011013948,0.1377330977,0.1377330977,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Zn, expected KMg26Zn to be KMg14Zn" +mp-1022643,KMg6Zn,-1.3292987594,0.1671790977,0.2139805198,0.2139805198,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Zn, expected KMg12Zn to be KMg6Zn" +mp-1099272,KMg6Zn,-1.3214326538,0.1750452034,0.2218466254,0.2218466254,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Zn,8.0,AB6C_oC16_38_a_2bde_a:K-Mg-Zn +mp-2715140,Na4Ta3AlSi4(PO12)2,-8.2129101196,-3.0587675908,0.0358038743,0.0358038743,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Al-Na-O-P-Si-Ta,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Al-Na-O-P-Si-Ta +mp-2713209,Na10TaAl7(PO4)12,-7.438860869,-2.9042102332,0.0160369428,0.0160369428,GGA,P1,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:Al-Na-O-P-Ta,234.0,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:Al-Na-O-P-Ta +mp-2712599,Na2TaAlSi(PO6)2,-7.9169738323,-2.9769426941,0.043129973,0.043129973,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Al-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_72a_10a_3a_3a:Al-Na-O-P-Si-Ta, expected Na6Ta3Al3Si3(P5O36)2 to be Na2TaAlSi(PO6)2" +mp-2715584,Na2Ta3AlSi2(PO6)4,-8.4311551379,-3.0648125139,0.0116594403,0.0116594403,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Al-Na-O-P-Si-Ta,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Al-Na-O-P-Si-Ta +mp-2716346,Na4TaAl(SiO4)3,-7.5775367858,-2.9808856782,0.0449862107,0.0449862107,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Al-Na-O-Si-Ta,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Al-Na-O-Si-Ta, expected Na4TaAl(SiO12)3 to be Na4TaAl(SiO4)3" +mp-2714583,Na7Ta2Al2Si5PO24,-7.6552326266,-2.9790178534,0.0603155655,0.0603155655,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Al-Na-O-P-Si-Ta,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Al-Na-O-P-Si-Ta +mp-2715312,Na6TaAl3Si2(PO6)4,-7.4811989074,-2.9248481065,0.0417374972,0.0417374972,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Al-Na-O-P-Si-Ta,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Al-Na-O-P-Si-Ta +mp-2715341,Na6TaAl3Si2(PO6)4,-7.47879527,-2.9224444691,0.0441411346,0.0441411346,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:Al-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:Al-Na-O-P-Si-Ta, expected Na12TaAl6Si4(PO6)8 to be Na6TaAl3Si2(PO6)4" +mp-2715208,Na7TaAl3Si3(PO8)3,-7.4000216159,-2.9222515462,0.0530918627,0.0530918627,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Al-Na-O-P-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Al-Na-O-P-Si-Ta +mp-2715437,Na6Ta3Al(SiO4)6,-8.0270008743,-3.0638384311,0.0305094614,0.0305094614,GGA,P1,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:Al-Na-O-Si-Ta,120.0,AB6C24D6E3_aP120_1_3a_18a_72a_18a_9a:Al-Na-O-Si-Ta +mp-2715329,Na6Ta3Al(SiO4)6,-8.0242582489,-3.0610958056,0.0332520869,0.0332520869,GGA,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Al-Na-O-Si-Ta,80.0,"Invalid WP multiplicities - AB6C24D6E3_aP40_1_a_12a_48a_12a_6a:Al-Na-O-Si-Ta, expected Na12Ta6Al(SiO4)12 to be Na6Ta3Al(SiO4)6" +mp-2714836,Na6Ta3Al5(PO4)12,-7.8853937052,-2.9578659752,0.0086730766,0.0086730766,GGA,P1,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:Al-Na-O-P-Ta,222.0,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:Al-Na-O-P-Ta +mp-2712974,Na14Ta5Al3(SiO4)12,-7.7955801954,-3.0201430704,0.0398882697,0.0398882697,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Al-Na-O-Si-Ta,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Al-Na-O-Si-Ta +mp-2712842,Na3Ta3AlSi3(PO8)3,-8.3222966681,-3.0649216605,0.021957334,0.021957334,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-P-Si-Ta,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-P-Si-Ta +mp-2715599,NaTa3AlSiP5O24,-8.5333942923,-3.0518573309,0.0099077704,0.0099077704,GGA,P1,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:Al-Na-O-P-Si-Ta,105.0,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:Al-Na-O-P-Si-Ta +mp-2713872,Na2Ta5Al3(PO4)12,-8.3719548795,-3.0066498159,0.0,-0.0025698977,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Al-Na-O-P-Ta,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Al-Na-O-P-Ta +mp-2716147,Na8TaAl3Si4(PO12)2,-7.325613803099999,-2.9226825252,0.0610016507,0.0610016507,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Al-Na-O-P-Si-Ta,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Al-Na-O-P-Si-Ta +mp-2716390,Na5Ta3AlSi5PO24,-8.1166844057,-3.0604803823,0.0401833848,0.0401833848,GGA,P1,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:Al-Na-O-P-Si-Ta,117.0,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:Al-Na-O-P-Si-Ta +mp-2713440,Na10Ta7Al(SiO4)12,-8.2689961412,-3.1084814403,0.0195568718,0.0195568718,GGA,P1,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:Al-Na-O-Si-Ta,234.0,AB10C48D12E7_aP234_1_3a_30a_144a_36a_21a:Al-Na-O-Si-Ta +mp-2715905,Na5TaAl3SiP5O24,-7.564553205,-2.9255918916,0.0311004135,0.0311004135,GGA,P1,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Al-Na-O-P-Si-Ta,117.0,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Al-Na-O-P-Si-Ta +mp-2713269,Na3TaAlSi2PO12,-7.7368740768,-2.9771174547,0.0609112228,0.0609112228,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Al-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:Al-Na-O-P-Si-Ta, expected Na13TaAlSi12PO72 to be Na3TaAlSi2PO12" +mp-2713289,Na3TaAlSi2PO12,-7.7348846439,-2.9751280218,0.0629006557,0.0629006557,GGA,Cc,AB3C12DE2F_mC240_9_3a_9a_36a_3a_6a_3a:Al-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - AB3C12DE2F_mC240_9_10a_30a_132a_10a_22a_10a:Al-Na-O-P-Si-Ta, expected Na15Ta5Al5Si11P5O66 to be Na3TaAlSi2PO12" +mp-2712919,Na3Ta2Al2SiP5O24,-8.0202162266,-2.982739404,0.0260376246,0.0260376246,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-Si-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-Si-Ta +mp-2714056,Na5Ta2Al2Si3(PO8)3,-7.8222080568,-2.9746253884,0.0546554891,0.0546554891,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Al-Na-O-P-Si-Ta,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Al-Na-O-P-Si-Ta +mp-2713962,Ta3Al(PO4)6,-8.6228666778,-3.0193592417,0.0,-0.011449214,GGA,P3,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:Al-O-P-Ta,102.0,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:Al-O-P-Ta +mp-2713437,NaTaAl(PO4)3,-8.1299856022,-2.9896494462,0.0,-0.004597101,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Al-Na-O-P-Ta,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Al-Na-O-P-Ta, expected NaTaAl(PO12)3 to be NaTaAl(PO4)3" +mp-1221172,Na4TaAl3(PO4)6,-7.6603711526,-2.9344514052,0.0101935888,0.0101935888,GGA,P1,A3B4C24D6E_aP38_1_3a_4a_24a_6a_a:Al-Na-O-P-Ta,38.0,A3B4C24D6E_aP38_1_3a_4a_24a_6a_a:Al-Na-O-P-Ta +mp-2713628,Na4TaAl3(PO4)6,-7.6567392489,-2.9308195015000003,0.0138254925,0.0138254925,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Al-Na-O-P-Ta,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Al-Na-O-P-Ta +mp-777498,Ti3CrNi2(PO4)6,-8.1827364214,-2.7355102828,0.0235555549,0.0235555549,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Cr-Ni-O-P-Ti, expected Ti3CrNi2(PO11)6 to be Ti3CrNi2(PO4)6" +mp-1177293,Li4TiCr2Ni3(PO4)6,-7.5542148915,-2.4697640772,0.0984861748,0.0984861748,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-Ti,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-Ti +mp-1177433,Li4Ti4Cr4NiO18,-8.1889596713,-2.6195924811,0.0925848706,0.0925848706,GGA+U,Pbam,A4B4CD18E4_oP62_55_gh_2g_a_4g5h_gh:Cr-Li-Ni-O-Ti,62.0,"Invalid WP multiplicities - A4B4CD18E4_oP62_55_3g2h_5g_a_12g20h_3g2h:Cr-Li-Ni-O-Ti, expected Li10Ti10Cr10NiO64 to be Li4Ti4Cr4NiO18" +mp-1101367,Ti3Cr2Ni(PO4)6,-8.3000730061,-2.7452660122,0.0592279584,0.0592279584,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Cr-Ni-O-P-Ti, expected Ti3Cr2Ni(P3O22)3 to be Ti3Cr2Ni(PO4)6" +mp-770552,Li4Ti2Cr3Ni3O16,-7.4867544846,-2.1698527943,0.0867338924,0.0867338924,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Ni-O-Ti, expected Li4Ti2Cr3Ni3O20 to be Li4Ti2Cr3Ni3O16" +mp-776057,TiCr2Ni3(PO4)6,-7.7991819028,-2.3618946498,0.089620293,0.089620293,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cr-Ni-O-P-Ti, expected TiCr2Ni3(PO11)6 to be TiCr2Ni3(PO4)6" +mp-782652,Li4Ti3Cr3(NiO8)2,-7.8454918221,-2.4530417269,0.0637572059,0.0637572059,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Ni-O-Ti, expected Li4Ti3Cr3(NiO10)2 to be Li4Ti3Cr3(NiO8)2" +mp-2714698,Na3LaSn3(PO4)6,-7.2987428587,-2.6465092733,0.0469538543,0.0469538543,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Sn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Sn +mp-2716081,Na5La2SiSn2P5O24,-7.281935067,-2.7763929126,0.0905811815,0.0905811815,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Sn +mp-2715438,Na3LaSiSn(PO6)2,-7.1855106873,-2.7592435664,0.1188828492,0.1188828492,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:La-Na-O-P-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:La-Na-O-P-Si-Sn, expected Na14La3Si3Sn3(P5O36)2 to be Na3LaSiSn(PO6)2" +mp-2715260,Na3LaSiSn(PO6)2,-7.1870764861,-2.7608093652,0.1173170504,0.1173170504,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:La-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:La-Na-O-P-Si-Sn, expected Na3LaSiSn(PO15)2 to be Na3LaSiSn(PO6)2" +mp-2713188,Na5La3Sn(PO4)6,-7.4524026899,-2.9234138759,0.0691330179,0.0691330179,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:La-Na-O-P-Sn,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:La-Na-O-P-Sn +mp-2714910,Na7La2Si3Sn2(PO8)3,-7.1394156447,-2.7885564824,0.0792858624,0.0792858624,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Sn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Sn +mp-2713557,Na2LaSn(PO4)3,-7.3498580735,-2.7608685155,0.0860718079,0.0860718079,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:La-Na-O-P-Sn,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:La-Na-O-P-Sn, expected Na2LaSn(PO4)18 to be Na2LaSn(PO4)3" +mp-2715643,Na4LaSi2SnPO12,-7.0327929012,-2.7537508424,0.0989710182,0.0989710182,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:La-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:La-Na-O-P-Si-Sn, expected Na19LaSi12SnPO72 to be Na4LaSi2SnPO12" +mp-1196488,Zn2H10Cl4O5,-4.5952532535,-1.3298085932,0.03077279,0.03077279,GGA,P2_1/c,A4B10C5D2_mP84_14_4e_10e_5e_2e:Cl-H-O-Zn,84.0,A4B10C5D2_mP84_14_4e_10e_5e_2e:Cl-H-O-Zn +mp-1202834,Zn2H18Cl4O9,-4.8127915355,-1.3127036242,0.0193223543,0.0193223543,GGA,P2_12_12_1,A4B18C9D2_oP132_19_4a_18a_9a_2a:Cl-H-O-Zn,132.0,A4B18C9D2_oP132_19_4a_18a_9a_2a:Cl-H-O-Zn +mp-1195282,ZnH6Cl2O3,-4.6647798246,-1.3186765468,0.032088916,0.032088916,GGA,P-1,A2B6C3D_aP48_2_4i_12i_6i_abi:Cl-H-O-Zn,48.0,A2B6C3D_aP48_2_4i_12i_6i_abi:Cl-H-O-Zn +mp-863023,RbZnH2Se2ClO6,-5.1616286331,-1.5042269673000002,0.0,-0.009370619,GGA,P2/c,AB2C6DE2F_mP26_13_e_g_3g_f_g_e:Cl-H-O-Rb-Se-Zn,26.0,"Invalid WP multiplicities - AB2C6DE2F_mP26_13_e_g_9g_f_g_e:Cl-H-O-Rb-Se-Zn, expected RbZnH2Se2ClO18 to be RbZnH2Se2ClO6" +mp-561112,Zn2SeCl2O3,-4.5929049131,-1.5238376442,6.19048e-05,-0.0005045545,GGA,P2_1/c,A2B3CD2_mP32_14_2e_3e_e_2e:Cl-O-Se-Zn,32.0,"Invalid WP multiplicities - A2B3CD2_mP32_14_6e_11e_e_7e:Cl-O-Se-Zn, expected Zn7SeCl6O11 to be Zn2SeCl2O3" +mp-557746,Zn2SeCl2O3,-4.592966818,-1.523899549,0.0,-0.0005664594,GGA,Pccn,A2B3CD2_oP64_56_2e_3e_e_2e:Cl-O-Se-Zn,64.0,"Invalid WP multiplicities - A2B3CD2_oP64_56_9e_16e_e_11e:Cl-O-Se-Zn, expected Zn11SeCl9O16 to be Zn2SeCl2O3" +mp-690650,ZnH4(ClO3)2,-4.632994115,-0.9246977013,0.111562764,0.111562764,GGA,P2_1/c,A2B4C6D_mP26_14_e_2e_3e_a:Cl-H-O-Zn,26.0,A2B4C6D_mP26_14_e_2e_3e_a:Cl-H-O-Zn +mp-1221114,NaCeTiNbO6F,-8.5236518773,-3.3560134464,0.03119446,0.03119446,GGA,Imma,ABCDE6F_oI44_74_a_e_c_b_2ej_d:Ce-F-Na-Nb-O-Ti,22.0,"Invalid WP multiplicities - ABCDE6F_oI44_74_a_e_c_b_4e2j_d:Ce-F-Na-Nb-O-Ti, expected NaCeTiNbO12F to be NaCeTiNbO6F" +mp-43055,NaCeTiNbO6F,-8.5272321434,-3.3595937125,0.0276141939,0.0276141939,GGA,P4_122,ABCDE6F_tP44_91_a_c_b_b_2c2d_a:Ce-F-Na-Nb-O-Ti,44.0,"Invalid WP multiplicities - ABCDE6F_tP44_91_a_c_b_b_6c10d_a:Ce-F-Na-Nb-O-Ti, expected NaCeTiNbO26F to be NaCeTiNbO6F" +mp-2716565,Na5Al3Si3Sn(SO8)3,-6.8782300055,-2.5381079908,0.1292330583,0.1292330583,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Sn +mp-2716439,Na2Al4Si3Sn4(S3O16)3,-6.8830141333,-2.2457183853,0.0919124021,0.0919124021,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Sn,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Sn +mp-2712836,Al2SiSn2S5O24,-6.8898223332,-2.1739872802,0.055758138,0.055758138,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Sn,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Sn +mp-2715529,Na8Al2Si5Sn2SO24,-6.8459931194,-2.6537534335,0.0766907439,0.0766907439,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Sn,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Sn +mp-2715986,Na6Al4Si5Sn4S7O48,-6.8861009207,-2.3931476794,0.112982966,0.112982966,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Sn,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Sn +mp-2715127,Na14Al4Si9Sn4(SO16)3,-6.8513620596,-2.6048472443,0.1050906265,0.1050906265,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Sn,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Sn +mp-2716022,Na10Al4Si7Sn4S5O48,-6.8557452932,-2.4923301989,0.1452769444,0.1452769444,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Sn,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Sn +mp-2714779,Na3AlSi3Sn3(SO8)3,-6.8757475247,-2.3582421183,0.1165473832,0.1165473832,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Sn,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Sn +mp-2713666,Na4Al2Si3Sn2(SO8)3,-6.873202633,-2.4467229144,0.1268759338,0.1268759338,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Sn,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Sn +mp-2714562,Na3AlSi2SnSO12,-6.8460689941,-2.5425652927,0.144537295,0.144537295,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Al-Na-O-S-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Al-Na-O-S-Si-Sn, expected Na13AlSi7SnSO72 to be Na3AlSi2SnSO12" +mp-2712782,NaAlSiSn(SO6)2,-6.8966482079,-2.3335284702,0.1013857388,0.1013857388,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Al-Na-O-S-Si-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Al-Na-O-S-Si-Sn, expected NaAlSiSnS3O20 to be NaAlSiSn(SO6)2" +mp-2716193,Na4AlSi2SnPO12,-6.947485741,-2.7251308857,0.0584692393,0.0584692393,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Al-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Al-Na-O-P-Si-Sn, expected Na19AlSi12SnPO72 to be Na4AlSi2SnPO12" +mp-2714696,Na3AlSn3(PO4)6,-7.2374119686,-2.6173522014,0.014042459,0.014042459,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Sn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Sn +mp-2716525,Na5Al3Sn(PO4)6,-7.2289701982,-2.7915530207,0.0243374663,0.0243374663,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Sn,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Sn +mp-2716034,Na5Al2SiSn2P5O24,-7.1536609804,-2.7091665837,0.0400365725,0.0400365725,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Sn +mp-2713717,Na2AlSn(PO4)3,-7.2276492064,-2.701313926,0.0247562243,0.0247562243,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Al-Na-O-P-Sn,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Al-Na-O-P-Sn, expected Na2AlSn(PO4)18 to be Na2AlSn(PO4)3" +mp-2715388,Na3AlSiSn(PO6)2,-7.0803365202,-2.713590963,0.0546130147,0.0546130147,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Al-Na-O-P-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Al-Na-O-P-Si-Sn, expected Na14Al3Si3Sn3(P5O36)2 to be Na3AlSiSn(PO6)2" +mp-2715292,Na3AlSiSn(PO6)2,-7.078827738,-2.7120821808,0.0561217968,0.0561217968,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Al-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Al-Na-O-P-Si-Sn, expected Na3AlSiSn(PO15)2 to be Na3AlSiSn(PO6)2" +mp-686729,Na7AlSn11(PO4)18,-7.2442849144,-2.5588759638000003,0.0065064283,0.0065064283,GGA,P1,AB7C72D18E11_aP109_1_a_7a_72a_18a_11a:Al-Na-O-P-Sn,109.0,AB7C72D18E11_aP109_1_a_7a_72a_18a_11a:Al-Na-O-P-Sn +mp-2714794,Na7Al2Si3Sn2(PO8)3,-7.0193654322,-2.7265760882,0.055224271,0.055224271,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Sn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Sn +mp-1221117,NaCaGaSi2O7,-7.3346900038,-3.0152168175,0.0049222875,0.0049222875,GGA,P2_1,ABCD7E2_mP24_4_a_a_a_7a_2a:Ca-Ga-Na-O-Si,24.0,ABCD7E2_mP24_4_a_a_a_7a_2a:Ca-Ga-Na-O-Si +mp-698690,NaCaGaSi2O7,-6.6815000721,-2.3620268859,0.6581122192000001,0.6581122192000001,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Ca-Ga-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_27a_7a:Ca-Ga-Na-O-Si, expected NaCaGaSi7O27 to be NaCaGaSi2O7" +mp-1173092,NaCaGaSi2O7,-7.329945405,-3.0104722188,0.0096668862,0.0096668862,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Ca-Ga-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_27a_7a:Ca-Ga-Na-O-Si, expected NaCaGaSi7O27 to be NaCaGaSi2O7" +mp-1262161,NaCaGaSi2O7,-6.7028788025,-2.3834056163,0.6367334887,0.6367334887,GGA,P2_12_12_1,ABCD7E2_oP48_19_a_a_a_7a_2a:Ca-Ga-Na-O-Si,48.0,"Invalid WP multiplicities - ABCD7E2_oP48_19_a_a_a_27a_7a:Ca-Ga-Na-O-Si, expected NaCaGaSi7O27 to be NaCaGaSi2O7" +mp-2714959,Na8Ca2Ga2Si3(SO8)3,-6.452120931,-2.4508488617,0.1400053403,0.1400053403,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-Ga-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ca-Ga-Na-O-S-Si +mp-2714942,Na3Ca3Ga(SO4)6,-6.5689585101,-2.3378314881,0.0417517292,0.0417517292,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-Ga-Na-O-S,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Ca-Ga-Na-O-S +mp-2712580,Na3CaGaSi(SO6)2,-6.4695437188,-2.3665560148,0.1592683407,0.1592683407,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ca-Ga-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Ca-Ga-Na-O-S-Si, expected Na4CaGaSiS3O20 to be Na3CaGaSi(SO6)2" +mp-2712702,Na6Ca4Ga4SiS11O48,-6.5430613555,-2.2668821652,0.0652495713,0.0652495713,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-Ga-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ca-Ga-Na-O-S-Si +mp-2714784,Na10Ca4Ga4Si3(S3O16)3,-6.4788363796,-2.3210787183,0.1618147304,0.1618147304,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-Ga-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ca-Ga-Na-O-S-Si +mp-2714132,NaCaGa(SO4)3,-6.529916282,-2.1895920969,0.0607480805,0.0607480805,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Ca-Ga-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Ca-Ga-Na-O-S, expected NaCaGa(SO12)3 to be NaCaGa(SO4)3" +mp-2715857,Na14Ca4Ga4Si5S7O48,-6.4838080509000005,-2.4329185988,0.1284405556,0.1284405556,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-Ga-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ca-Ga-Na-O-S-Si +mp-2714791,NaCaGa3(SO4)6,-6.5213573924,-2.0655962063,0.0373589415,0.0373589415,GGA,P3,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-Ga-Na-O-S,105.0,AB3CD24E6_hP105_143_2ab_2a3b4c_a2b_24d_6d:Ca-Ga-Na-O-S +mp-2714210,Na7CaGa3Si3(SO8)3,-6.4809590389,-2.3894127521,0.1469880902,0.1469880902,GGA,P1,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Ga-Na-O-S-Si,123.0,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Ga-Na-O-S-Si +mp-2713474,Na4Ca2Ga2SiS5O24,-6.5265855425,-2.3111752948,0.0984431818,0.0984431818,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-Ga-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ca-Ga-Na-O-S-Si +mp-2714484,Na4LaInSi2SO12,-6.7626666571000005,-2.6043265394,0.1045127021,0.1045127021,GGA,P1,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:In-La-Na-O-S-Si,126.0,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:In-La-Na-O-S-Si +mp-2715818,Na14La4In4Si7S5O48,-6.7853816266,-2.5735931982,0.1162470779,0.1162470779,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:In-La-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:In-La-Na-O-S-Si +mp-2713853,Na6La4In4Si3(S3O16)3,-6.8846474858,-2.4301748353,0.0967712403,0.0967712403,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:In-La-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:In-La-Na-O-S-Si +mp-2715715,Na2La2In2SiS5O24,-6.8947332897,-2.3711630483,0.0857243009,0.0857243009,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:In-La-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:In-La-Na-O-S-Si +mp-2713257,Na2LaInSi(SO6)2,-6.8572435402,-2.4682317654,0.1076574394,0.1076574394,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:In-La-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:In-La-Na-O-S-Si +mp-2715011,Na10La4In4Si5S7O48,-6.8334079292,-2.5065000621,0.1158223678,0.1158223678,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:In-La-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:In-La-Na-O-S-Si +mp-2716159,Na6La2In2Si3(SO8)3,-6.8081890118,-2.540279857,0.1261541369,0.1261541369,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:In-La-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:In-La-Na-O-S-Si +mp-2713996,LaIn(SO4)3,-6.9441071025,-2.2701479865,0.0222963807,0.0222963807,GGA,P321,ABC12D3_hP102_150_3d_2cd_12g_ef2g:In-La-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_5d_3cd_20g_ef4g:In-La-O-S, expected La4In5(SO4)15 to be LaIn(SO4)3" +mp-2714207,Na2La4In4SiS11O48,-6.9134008162,-2.3167845501,0.0602304936,0.0602304936,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:In-La-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:In-La-Na-O-S-Si +mp-1224434,La9In(SiS7)3,-6.447397874,-2.0263052572,0.0,-0.0201499529,GGA,R3,AB9C21D3_hR204_146_2a_6b_14b_2b:In-La-S-Si,68.0,"Invalid WP multiplicities - AB9C21D3_hR204_146_2a_16b_34b_2b:In-La-S-Si, expected La24In(SiS17)3 to be La9In(SiS7)3" +mp-558938,Zn4SiTePbO10,-5.9212716715,-1.9926168158,0.0,-0.0101556695,GGA,Pnma,A10BCDE4_oP68_62_2c4d_c_c_a_2d:O-Pb-Si-Te-Zn,68.0,"Invalid WP multiplicities - A10BCDE4_oP68_62_8c27d_c_c_a_9d:O-Pb-Si-Te-Zn, expected Zn18SiTePbO62 to be Zn4SiTePbO10" +mp-1216341,Zn9Si2Te3P4(Pb3O14)3,-6.3162685888,-2.0489322735,0.0260084975,0.0260084975,GGA,C2,A42B4C9D2E3F9_mC138_5_21c_2c_a4c_c_ac_b4c:O-P-Pb-Si-Te-Zn,69.0,"Invalid WP multiplicities - A42B4C9D2E3F9_mC138_5_42c_4c_a7c_c_ac_b8c:O-P-Pb-Si-Te-Zn, expected Zn17Si2Te3P8(Pb5O28)3 to be Zn9Si2Te3P4(Pb3O14)3" +mp-2715121,Na7Zr2In2Si3(PO8)3,-7.2906825233,-2.8250035854,0.0263931138,0.0263931138,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Zr,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Zr +mp-2716489,Na3Zr3In(PO4)6,-7.9496108699,-2.9884566642,0.0131667533,0.0131667533,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Zr,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Zr +mp-2715227,Na3ZrInSi(PO6)2,-7.3648241929,-2.8208668020000003,0.0339684196,0.0339684196,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:In-Na-O-P-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:In-Na-O-P-Si-Zr, expected Na14Zr3In3Si3(P5O36)2 to be Na3ZrInSi(PO6)2" +mp-2715270,Na3ZrInSi(PO6)2,-7.3624572195,-2.8184998286000003,0.036335393,0.036335393,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:In-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:In-Na-O-P-Si-Zr, expected Na3ZrInSi(PO15)2 to be Na3ZrInSi(PO6)2" +mp-2716317,Na5ZrIn3(PO4)6,-7.1444138205,-2.6670876052,0.0249048619,0.0249048619,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Zr,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Zr +mp-2715979,Na5Zr2In2SiP5O24,-7.443265538,-2.8170154144,0.0319242675,0.0319242675,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Zr +mp-2715791,Na4ZrInSi2PO12,-7.2067957905,-2.8156677602,0.0313998265,0.0313998265,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:In-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:In-Na-O-P-Si-Zr, expected Na19ZrInSi12PO72 to be Na4ZrInSi2PO12" +mp-2713704,Na2ZrIn(PO4)3,-7.5332001597,-2.820326107,0.0224077438,0.0224077438,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:In-Na-O-P-Zr,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:In-Na-O-P-Zr, expected Na2ZrIn(PO4)18 to be Na2ZrIn(PO4)3" +mp-2715929,Na5Zr2Ga2SiP5O24,-7.4728526801,-2.8324275671,0.0464205615,0.0464205615,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Zr +mp-2716344,Na3Zr3Ga(PO4)6,-7.960958456,-2.9923336479,0.0202656405,0.0202656405,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Zr,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Zr +mp-2715464,Na3ZrGaSi(PO6)2,-7.390578855,-2.8328008494,0.0511764358,0.0511764358,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ga-Na-O-P-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Ga-Na-O-P-Si-Zr, expected Na14Zr3Ga3Si3(P5O36)2 to be Na3ZrGaSi(PO6)2" +mp-2715496,Na3ZrGaSi(PO6)2,-7.390340804,-2.8325627984,0.0514144868,0.0514144868,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ga-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ga-Na-O-P-Si-Zr, expected Na3ZrGaSi(PO15)2 to be Na3ZrGaSi(PO6)2" +mp-2716544,Na5ZrGa3(PO4)6,-7.188469679,-2.6898809796,0.0333505046,0.0333505046,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Zr,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Zr +mp-2715028,Na7Zr2Ga2Si3(PO8)3,-7.3185651263,-2.8394026619,0.047194386,0.047194386,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Zr,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Zr +mp-2716125,Na4ZrGaSi2PO12,-7.2366885846,-2.8323980642,0.0531459711,0.0531459711,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ga-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Ga-Na-O-P-Si-Zr, expected Na19ZrGaSi12PO72 to be Na4ZrGaSi2PO12" +mp-1020626,Zr2Ga(PO4)3,-8.3489261503,-3.0309445204,0.0109190376,0.0109190376,GGA,R-3c,AB12C3D2_hR108_167_b_2f_e_c:Ga-O-P-Zr,36.0,AB12C3D2_hR108_167_b_2f_e_c:Ga-O-P-Zr +mp-2713615,Na2ZrGa(PO4)3,-7.5585870718,-2.8311650037,0.0329429114,0.0329429114,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ga-Na-O-P-Zr,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ga-Na-O-P-Zr, expected Na2ZrGa(PO4)18 to be Na2ZrGa(PO4)3" +mp-2712752,Na6Nb4Zn2Si6(SO12)3,-7.4188095642,-2.6135128883,0.1128021487,0.1128021487,GGA,P3c1,A6B4C36D3E6F2_hP114_158_abcd_ab2c_12d_d_2d_ab:Na-Nb-O-S-Si-Zn,114.0,A6B4C36D3E6F2_hP114_158_abcd_ab2c_12d_d_2d_ab:Na-Nb-O-S-Si-Zn +mp-2714661,NaNbZn3(SO4)6,-6.5165401531,-1.9810461693,0.0066411123,0.0066411123,GGA,P3,ABC24D6E3_hP105_143_a2b_a2c_24d_6d_3a4b2c:Na-Nb-O-S-Zn,105.0,ABC24D6E3_hP105_143_a2b_a2c_24d_6d_3a4b2c:Na-Nb-O-S-Zn +mp-2716320,Na2Nb4Zn4Si3(S3O16)3,-7.0863727662,-2.2430255345,0.0498780546,0.0498780546,GGA,P1,A2B4C48D9E3F4_aP210_1_6a_12a_144a_27a_9a_12a:Na-Nb-O-S-Si-Zn,210.0,A2B4C48D9E3F4_aP210_1_6a_12a_144a_27a_9a_12a:Na-Nb-O-S-Si-Zn +mp-2715798,Na42Nb8Zn16Si21(S5O48)3,-6.6413426478,-2.3941312597,0.1417828794,0.1417828794,GGA,P1,A42B8C144D15E21F16_aP246_1_42a_8a_144a_15a_21a_16a:Na-Nb-O-S-Si-Zn,246.0,A42B8C144D15E21F16_aP246_1_42a_8a_144a_15a_21a_16a:Na-Nb-O-S-Si-Zn +mp-2714854,Na30Nb4Zn20Si9(S3O16)9,-6.343373483,-2.1634117981,0.1006094445,0.1006094445,GGA,P1,A30B4C144D27E9F20_aP234_1_30a_4a_144a_27a_9a_20a:Na-Nb-O-S-Si-Zn,234.0,A30B4C144D27E9F20_aP234_1_30a_4a_144a_27a_9a_20a:Na-Nb-O-S-Si-Zn +mp-2716457,Na30Nb20Zn4Si33(SO48)3,-7.7692467157,-2.8525422155,0.0641625087,0.0641625087,GGA,P1,A30B20C144D3E33F4_aP234_1_30a_20a_144a_3a_33a_4a:Na-Nb-O-S-Si-Zn,234.0,A30B20C144D3E33F4_aP234_1_30a_20a_144a_3a_33a_4a:Na-Nb-O-S-Si-Zn +mp-2716209,Na18Nb4Zn8Si9(SO8)9,-6.6354200333,-2.331202345,0.1662002313,0.1662002313,GGA,P1,A18B4C72D9E9F8_aP120_1_18a_4a_72a_9a_9a_8a:Na-Nb-O-S-Si-Zn,120.0,A18B4C72D9E9F8_aP120_1_18a_4a_72a_9a_9a_8a:Na-Nb-O-S-Si-Zn +mp-2715105,Na9NbZn11(SO4)18,-6.1857231582,-1.9832105708,0.0164844935,0.0164844935,GGA,P1,A9BC72D18E11_aP111_1_9a_a_72a_18a_11a:Na-Nb-O-S-Zn,111.0,A9BC72D18E11_aP111_1_9a_a_72a_18a_11a:Na-Nb-O-S-Zn +mp-2716172,Na8Nb2Zn2Si5SO24,-6.9665799367000005,-2.6026306812,0.1003943008,0.1003943008,GGA,P1,A8B2C24DE5F2_aP126_1_24a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Zn,126.0,A8B2C24DE5F2_aP126_1_24a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Zn +mp-2714671,Na9Nb7Zn5Si9(SO8)9,-7.2359404316,-2.4510027807,0.1252272867,0.1252272867,GGA,P1,A9B7C72D9E9F5_aP111_1_9a_7a_72a_9a_9a_5a:Na-Nb-O-S-Si-Zn,111.0,A9B7C72D9E9F5_aP111_1_9a_7a_72a_9a_9a_5a:Na-Nb-O-S-Si-Zn +mp-2713017,Nb2Zn2SiS5O24,-7.0766489297,-2.1487020552,0.0391706916,0.0391706916,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Nb-O-S-Si-Zn,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Nb-O-S-Si-Zn +mp-2715976,Na6Nb4Zn4Si5S7O48,-7.0575071367,-2.3696403297,0.1113672926,0.1113672926,GGA,P1,A6B4C48D7E5F4_aP222_1_18a_12a_144a_21a_15a_12a:Na-Nb-O-S-Si-Zn,222.0,A6B4C48D7E5F4_aP222_1_18a_12a_144a_21a_15a_12a:Na-Nb-O-S-Si-Zn +mp-2715106,Na30Nb8Zn16Si15(S7O48)3,-6.6750349975,-2.3108876088,0.1255850282,0.1255850282,GGA,P1,A30B8C144D21E15F16_aP234_1_30a_8a_144a_21a_15a_16a:Na-Nb-O-S-Si-Zn,234.0,A30B8C144D21E15F16_aP234_1_30a_8a_144a_21a_15a_16a:Na-Nb-O-S-Si-Zn +mp-2713843,Na6Nb8Zn4Si9(SO8)9,-7.4654752396,-2.5024931581,0.0848409431,0.0848409431,GGA,P1,A6B8C72D9E9F4_aP108_1_6a_8a_72a_9a_9a_4a:Na-Nb-O-S-Si-Zn,108.0,A6B8C72D9E9F4_aP108_1_6a_8a_72a_9a_9a_4a:Na-Nb-O-S-Si-Zn +mp-1220442,Nb6ZnS8,-7.566840588,-1.236229069,0.0625727791,0.0625727791,GGA,P-3,A6B8C_hP15_147_g_dg_a:Nb-S-Zn,15.0,A6B8C_hP15_147_g_dg_a:Nb-S-Zn +mp-2714513,Na3NbZnSi2SO12,-6.9672406365,-2.4834418869,0.165839094,0.165839094,GGA,Cc,A3BC12DE2F_mC80_9_3a_a_12a_a_2a_a:Na-Nb-O-S-Si-Zn,120.0,"Invalid WP multiplicities - A3BC12DE2F_mC80_9_13a_a_72a_a_12a_a:Na-Nb-O-S-Si-Zn, expected Na13NbZnSi12SO72 to be Na3NbZnSi2SO12" +mp-2714365,Na12Nb2Zn4Si6(SO12)3,-6.6383009894,-2.4453813159,0.1200657728,0.1200657728,GGA,Cc,A12B2C36D3E6F4_mC252_9_12a_2a_36a_3a_6a_4a:Na-Nb-O-S-Si-Zn,126.0,"Invalid WP multiplicities - A12B2C36D3E6F4_mC252_9_18a_2a_60a_4a_9a_4a:Na-Nb-O-S-Si-Zn, expected Na18Nb2Zn4Si9(SO15)4 to be Na12Nb2Zn4Si6(SO12)3" +mp-2713738,NaNb3ZnSi3(SO8)3,-7.6931189688,-2.5419184892,0.0557978606,0.0557978606,GGA,P1,AB3C24D3E3F_aP105_1_3a_9a_72a_9a_9a_3a:Na-Nb-O-S-Si-Zn,105.0,AB3C24D3E3F_aP105_1_3a_9a_72a_9a_9a_3a:Na-Nb-O-S-Si-Zn +mp-2714307,Na30Nb16Zn8Si27(SO16)9,-7.3835658208,-2.6510470244,0.1141130263,0.1141130263,GGA,P1,A30B16C144D9E27F8_aP234_1_30a_16a_144a_9a_27a_8a:Na-Nb-O-S-Si-Zn,234.0,A30B16C144D9E27F8_aP234_1_30a_16a_144a_9a_27a_8a:Na-Nb-O-S-Si-Zn +mp-2714104,Na7NbZn3Si3(SO8)3,-6.4780159457,-2.3184050753,0.1470031433,0.1470031433,GGA,P1,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Zn,123.0,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Zn +mp-2713435,Nb4Zn2Si3(SO6)6,-7.4931170928,-2.3538983815,0.0406934768,0.0406934768,GGA,Cc,A4B36C6D3E2_mC204_9_4a_36a_6a_3a_2a:Nb-O-S-Si-Zn,102.0,"Invalid WP multiplicities - A4B36C6D3E2_mC204_9_4a_60a_9a_4a_2a:Nb-O-S-Si-Zn, expected Nb4Zn2Si4(S3O20)3 to be Nb4Zn2Si3(SO6)6" +mp-2713396,Na12Nb2Zn10Si3(S5O24)3,-6.3417460134,-2.1035474257,0.0850853283,0.0850853283,GGA,P1,A12B2C72D15E3F10_aP114_1_12a_2a_72a_15a_3a_10a:Na-Nb-O-S-Si-Zn,114.0,A12B2C72D15E3F10_aP114_1_12a_2a_72a_15a_3a_10a:Na-Nb-O-S-Si-Zn +mp-2712600,Na9NbZn5Si3(SO6)6,-6.3290172893,-2.2043806621,0.1248818045,0.1248818045,GGA,Cc,A9BC36D6E3F5_mC240_9_9a_a_36a_6a_3a_5a:Na-Nb-O-S-Si-Zn,120.0,"Invalid WP multiplicities - A9BC36D6E3F5_mC240_9_12a_a_60a_9a_4a_5a:Na-Nb-O-S-Si-Zn, expected Na12NbZn5Si4(S3O20)3 to be Na9NbZn5Si3(SO6)6" +mp-2714605,Na6Nb4Zn8Si3(S5O24)3,-6.7078284055,-2.1439153489,0.0478155393,0.0478155393,GGA,P1,A6B4C72D15E3F8_aP108_1_6a_4a_72a_15a_3a_8a:Na-Nb-O-S-Si-Zn,108.0,A6B4C72D15E3F8_aP108_1_6a_4a_72a_15a_3a_8a:Na-Nb-O-S-Si-Zn +mp-2713968,Nb2Zn4(SO4)9,-6.6978286729,-1.9811536352,0.0,-0.0381696605,GGA,P3c1,A2B36C9D4_hP102_158_ab_12d_3d_ab2c:Nb-O-S-Zn,102.0,A2B36C9D4_hP102_158_ab_12d_3d_ab2c:Nb-O-S-Zn +mp-2714509,Na42Nb16Zn8Si33(SO48)3,-7.3340367159,-2.7364232572,0.0807948576,0.0807948576,GGA,P1,A42B16C144D3E33F8_aP246_1_42a_16a_144a_3a_33a_8a:Na-Nb-O-S-Si-Zn,246.0,A42B16C144D3E33F8_aP246_1_42a_16a_144a_3a_33a_8a:Na-Nb-O-S-Si-Zn +mp-2712897,Na42Nb4Zn20Si15(S7O48)3,-6.3357063972,-2.2636960445,0.1276251475,0.1276251475,GGA,P1,A42B4C144D21E15F20_aP246_1_42a_4a_144a_21a_15a_20a:Na-Nb-O-S-Si-Zn,246.0,A42B4C144D21E15F20_aP246_1_42a_4a_144a_21a_15a_20a:Na-Nb-O-S-Si-Zn +mp-2715945,Na10Nb4Zn4Si7S5O48,-6.9904035023,-2.4420704097,0.1668536218,0.1668536218,GGA,P1,A10B4C48D5E7F4_aP234_1_30a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Zn,234.0,A10B4C48D5E7F4_aP234_1_30a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Zn +mp-2715703,Na3Nb5ZnSi6(SO12)3,-7.874998217,-2.712481623,0.0724163045,0.0724163045,GGA,Cc,A3B5C36D3E6F_mC216_9_3a_5a_36a_3a_6a_a:Na-Nb-O-S-Si-Zn,108.0,"Invalid WP multiplicities - A3B5C36D3E6F_mC216_9_3a_5a_72a_4a_11a_a:Na-Nb-O-S-Si-Zn, expected Na3Nb5ZnSi11(SO18)4 to be Na3Nb5ZnSi6(SO12)3" +mp-2713037,Na18Nb20Zn4Si27(SO16)9,-7.8418704953,-2.7657203126,0.0843311897,0.0843311897,GGA,P1,A18B20C144D9E27F4_aP222_1_18a_20a_144a_9a_27a_4a:Na-Nb-O-S-Si-Zn,222.0,A18B20C144D9E27F4_aP222_1_18a_20a_144a_9a_27a_4a:Na-Nb-O-S-Si-Zn +mp-2714092,Na3NbZn5(SO4)9,-6.3527341628,-1.9883556188,0.0055023289,0.0055023289,GGA,P3c1,A3BC36D9E5_hP108_158_abc_a_12d_3d_a2b2c:Na-Nb-O-S-Zn,108.0,A3BC36D9E5_hP108_158_abc_a_12d_3d_a2b2c:Na-Nb-O-S-Zn +mp-2713655,Na6Nb2Zn4Si3(SO6)6,-6.6880252956,-2.2607940118,0.1108999346,0.1108999346,GGA,P3c1,A6B2C36D6E3F4_hP114_158_abcd_ab_12d_2d_d_ab2c:Na-Nb-O-S-Si-Zn,114.0,A6B2C36D6E3F4_hP114_158_abcd_ab_12d_2d_d_ab2c:Na-Nb-O-S-Si-Zn +mp-2716495,Na15Nb5Zn7Si9(SO8)9,-6.8281106437,-2.371870403,0.1508279312,0.1508279312,GGA,P1,A15B5C72D9E9F7_aP117_1_15a_5a_72a_9a_9a_7a:Na-Nb-O-S-Si-Zn,117.0,A15B5C72D9E9F7_aP117_1_15a_5a_72a_9a_9a_7a:Na-Nb-O-S-Si-Zn +mp-2713973,Nb10Zn2Si9(SO8)9,-7.9331255614,-2.5826350133,0.0186759566,0.0186759566,GGA,P1,A10B72C9D9E2_aP102_1_10a_72a_9a_9a_2a:Nb-O-S-Si-Zn,102.0,A10B72C9D9E2_aP102_1_10a_72a_9a_9a_2a:Nb-O-S-Si-Zn +mp-2713902,Na18Nb8Zn4Si15(SO24)3,-7.3575687544,-2.6941889436,0.0996291742,0.0996291742,GGA,P1,A18B8C72D3E15F4_aP120_1_18a_8a_72a_3a_15a_4a:Na-Nb-O-S-Si-Zn,120.0,A18B8C72D3E15F4_aP120_1_18a_8a_72a_3a_15a_4a:Na-Nb-O-S-Si-Zn +mp-2712749,NaNbZnSi(SO6)2,-7.0486468669,-2.2851992979,0.1044045308,0.1044045308,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Na-Nb-O-S-Si-Zn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_72a_10a_3a_3a:Na-Nb-O-S-Si-Zn, expected Na3Nb3Zn3Si3(S5O36)2 to be NaNbZnSi(SO6)2" +mp-2712997,Na18Nb16Zn8Si21(S5O48)3,-7.4302588836,-2.5482503888,0.120028022,0.120028022,GGA,P1,A18B16C144D15E21F8_aP222_1_18a_16a_144a_15a_21a_8a:Na-Nb-O-S-Si-Zn,222.0,A18B16C144D15E21F8_aP222_1_18a_16a_144a_15a_21a_8a:Na-Nb-O-S-Si-Zn +mp-2715551,Na6Nb20Zn4Si21(S5O48)3,-7.9075287711,-2.6537105423,0.0446517987,0.0446517987,GGA,P1,A6B20C144D15E21F4_aP210_1_6a_20a_144a_15a_21a_4a:Na-Nb-O-S-Si-Zn,210.0,A6B20C144D15E21F4_aP210_1_6a_20a_144a_15a_21a_4a:Na-Nb-O-S-Si-Zn +mp-2714943,Na12Nb10Zn2Si15(SO24)3,-7.8057562095,-2.8114268375,0.0757111813,0.0757111813,GGA,P1,A12B10C72D3E15F2_aP114_1_12a_10a_72a_3a_15a_2a:Na-Nb-O-S-Si-Zn,114.0,A12B10C72D3E15F2_aP114_1_12a_10a_72a_3a_15a_2a:Na-Nb-O-S-Si-Zn +mp-2714739,Na14Nb4Zn4Si9(SO16)3,-6.9871847933,-2.5647723699,0.1121536101,0.1121536101,GGA,P1,A14B4C48D3E9F4_aP246_1_42a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Zn,246.0,A14B4C48D3E9F4_aP246_1_42a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Zn +mp-2713316,Na4Nb2Zn2Si3(SO8)3,-7.0127841304,-2.3965201506,0.1528052974,0.1528052974,GGA,P1,A4B2C24D3E3F2_aP114_1_12a_6a_72a_9a_9a_6a:Na-Nb-O-S-Si-Zn,114.0,A4B2C24D3E3F2_aP114_1_12a_6a_72a_9a_9a_6a:Na-Nb-O-S-Si-Zn +mp-2713299,Na18Nb4Zn20Si3(S11O48)3,-6.3501646932,-2.0505812619,0.045376314,0.045376314,GGA,P1,A18B4C144D33E3F20_aP222_1_18a_4a_144a_33a_3a_20a:Na-Nb-O-S-Si-Zn,222.0,A18B4C144D33E3F20_aP222_1_18a_4a_144a_33a_3a_20a:Na-Nb-O-S-Si-Zn +mp-2715066,Na24Nb2Zn10Si9(SO8)9,-6.3301972132,-2.3083071219,0.1195620736,0.1195620736,GGA,P1,A24B2C72D9E9F10_aP126_1_24a_2a_72a_9a_9a_10a:Na-Nb-O-S-Si-Zn,126.0,A24B2C72D9E9F10_aP126_1_24a_2a_72a_9a_9a_10a:Na-Nb-O-S-Si-Zn +mp-2716253,Na6Nb16Zn8Si15(S7O48)3,-7.4915575995,-2.4429748692,0.053137227,0.053137227,GGA,P1,A6B16C144D21E15F8_aP210_1_6a_16a_144a_21a_15a_8a:Na-Nb-O-S-Si-Zn,210.0,A6B16C144D21E15F8_aP210_1_6a_16a_144a_21a_15a_8a:Na-Nb-O-S-Si-Zn +mp-2713828,Na18Nb8Zn16Si9(S3O16)9,-6.6996004875,-2.2058753683,0.0826072307,0.0826072307,GGA,P1,A18B8C144D27E9F16_aP222_1_18a_8a_144a_27a_9a_16a:Na-Nb-O-S-Si-Zn,222.0,A18B8C144D27E9F16_aP222_1_18a_8a_144a_27a_9a_16a:Na-Nb-O-S-Si-Zn +mp-2714117,Na6Nb8Zn16Si3(S11O48)3,-6.7035515517,-2.0654398186,0.0240106896,0.0240106896,GGA,P1,A6B8C144D33E3F16_aP210_1_6a_8a_144a_33a_3a_16a:Na-Nb-O-S-Si-Zn,210.0,A6B8C144D33E3F16_aP210_1_6a_8a_144a_33a_3a_16a:Na-Nb-O-S-Si-Zn +mp-2714238,Na7ZnGa3Si3(SO8)3,-6.3771212255,-2.303766555,0.1423654088,0.1423654088,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ga-Na-O-S-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ga-Na-O-S-Si-Zn +mp-2715145,Na3Zn3Ga(SO4)6,-6.1418732265,-1.9712210372,0.0225719605,0.0225719605,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-S-Zn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-S-Zn +mp-2714680,Na10Zn4Ga4Si3(S3O16)3,-6.24625599,-2.1267473682,0.1200371097,0.1200371097,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Ga-Na-O-S-Si-Zn,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Ga-Na-O-S-Si-Zn +mp-2714122,NaZnGa(SO4)3,-6.2653593379,-1.9664716122,0.0152543098,0.0152543098,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ga-Na-O-S-Zn,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Ga-Na-O-S-Zn, expected NaZnGa(SO12)3 to be NaZnGa(SO4)3" +mp-2714689,NaZnGa3(SO4)6,-6.383218509,-1.948767502,0.0160431715,0.0160431715,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:Ga-Na-O-S-Zn,105.0,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:Ga-Na-O-S-Zn +mp-2713570,Na6Zn4Ga4SiS11O48,-6.2655974409,-2.0297348059,0.0463005325,0.0463005325,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Ga-Na-O-S-Si-Zn,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Ga-Na-O-S-Si-Zn +mp-2715163,Na8Zn2Ga2Si3(SO8)3,-6.2409647428,-2.2752096387,0.1431728559,0.1431728559,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Ga-Na-O-S-Si-Zn,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Ga-Na-O-S-Si-Zn +mp-2713492,Na4Zn2Ga2SiS5O24,-6.2578771475,-2.0817224929,0.0836586083,0.0836586083,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Ga-Na-O-S-Si-Zn,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Ga-Na-O-S-Si-Zn +mp-1173841,Na7Zn3Ga(SiO4)4,-6.211601584,-2.440204958,0.1027384244,0.1027384244,GGA,Pc,AB7C16D4E3_mP62_7_a_7a_16a_4a_3a:Ga-Na-O-Si-Zn,62.0,AB7C16D4E3_mP62_7_a_7a_16a_4a_3a:Ga-Na-O-Si-Zn +mp-2712622,Na3ZnGaSi(SO6)2,-6.2487614608,-2.1830665703,0.1351290615,0.1351290615,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ga-Na-O-S-Si-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Ga-Na-O-S-Si-Zn, expected Na4ZnGaSiS3O20 to be Na3ZnGaSi(SO6)2" +mp-2715963,Na14Zn4Ga4Si5S7O48,-6.260185885,-2.2456796655,0.1348446144,0.1348446144,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Ga-Na-O-S-Si-Zn,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Ga-Na-O-S-Si-Zn +mp-757170,Li4Mn3Sn(PO4)4,-7.5587661098,-2.5612111597,0.0325015674,0.0325015674,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-Sn,56.0,"Invalid WP multiplicities - A4B3C16D4E_mP28_6_2c_a3b_4a4b4c_2a2b_a:Li-Mn-O-P-Sn, expected Li4Mn4Sn(PO4)4 to be Li4Mn3Sn(PO4)4" +mp-1177518,Li4Mn2Ni3Sn(PO4)6,-7.3455782015,-2.3828270001,0.0731852842,0.0731852842,GGA+U,P1,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-Sn,40.0,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-Sn +mp-771360,Li6MnSn3(PO4)6,-7.1110002283,-2.5148849241,0.068070774,0.068070774,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-Sn,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-Sn +mp-1176570,Mn3NiSn2(PO4)6,-7.6785249228,-2.3317007457,0.0972114727,0.0972114727,GGA+U,R3,A3BC24D6E2_hR108_146_3a_a_8b_2b_2a:Mn-Ni-O-P-Sn,36.0,"Invalid WP multiplicities - A3BC24D6E2_hR108_146_3a_a_22b_3b_2a:Mn-Ni-O-P-Sn, expected Mn3NiSn2(P3O22)3 to be Mn3NiSn2(PO4)6" +mp-776373,Li6Mn3Sn(PO4)6,-7.377697612,-2.523960136,0.0655817531,0.0655817531,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Sn,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Sn +mp-1176895,Li8Mn7Sn(PO4)12,-7.5661285125,-2.4896054855,0.0123036705,0.0123036705,GGA+U,P1,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Sn,76.0,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Sn +mp-1177530,Li4Mn2Ni3Sn3O16,-6.6052570436,-1.8025475066,0.0722037396,0.0722037396,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Mn-Ni-O-Sn,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Mn-Ni-O-Sn, expected Li4Mn2Ni3Sn3O20 to be Li4Mn2Ni3Sn3O16" +mp-774492,Li4Mn3Ni2Sn3O16,-6.8502391164,-1.9267482004,0.0703067493,0.0703067493,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Ni-O-Sn,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Ni-O-Sn, expected Li4Mn3Ni2Sn3O20 to be Li4Mn3Ni2Sn3O16" +mp-860889,Li2MnSn(PO4)2,-7.3090935525,-2.4955544394,0.0574051108,0.0574051108,GGA+U,P2_1/m,A2BC8D2E_mP28_11_ad_e_4e2f_2e_e:Li-Mn-O-P-Sn,28.0,"Invalid WP multiplicities - A2BC8D2E_mP28_11_ab_e_7e4f_3e_e:Li-Mn-O-P-Sn, expected Li2MnSn(PO5)3 to be Li2MnSn(PO4)2" +mp-772661,Li4MnSn3(PO4)4,-7.0796847575,-2.4501614814,0.062044892,0.062044892,GGA+U,Pm,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Mn-O-P-Sn,56.0,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Mn-O-P-Sn +mp-774587,Li4Mn3Ni3(SnO8)2,-6.8277260729,-1.8410006988,0.0187446791,0.0187446791,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-Sn,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-Sn, expected Li4Mn3Ni3(SnO10)2 to be Li4Mn3Ni3(SnO8)2" +mp-850367,Li4Mn5Sn(PO4)6,-7.7325828955,-2.5161907982,0.0807212938,0.0807212938,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-Sn,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-Sn +mp-1220722,NaYbTiNbO6F,-7.9307249682,-3.1624938895,0.0667404744,0.0667404744,GGA,Imma,ABCD6EF_oI44_74_e_a_c_2ej_b_d:F-Na-Nb-O-Ti-Yb,,"Invalid WP multiplicities - ABCD6EF_oI44_74_e_a_c_4e2j_b_d:F-Na-Nb-O-Ti-Yb, expected NaYbTiNbO12F to be NaYbTiNbO6F" +mp-684861,NaYbTiNbO6F,-7.9312581816,-3.1630271029,0.066207261,0.066207261,GGA,P4_122,ABCD6EF_tP44_91_c_a_a_2c2d_b_b:F-Na-Nb-O-Ti-Yb,,"Invalid WP multiplicities - ABCD6EF_tP44_91_c_a_a_6c9d_b_b:F-Na-Nb-O-Ti-Yb, expected NaYbTiNbO24F to be NaYbTiNbO6F" +mp-2715573,Na8CaTi3Si4(PO12)2,-7.4082565321,-2.9434783302,0.0539499087,0.0539499087,GGA,P1,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Ti,126.0,AB8C24D2E4F3_aP126_1_3a_24a_72a_6a_12a_9a:Ca-Na-O-P-Si-Ti +mp-2714438,Na4CaTiSi(PO6)2,-7.1865147725,-2.8625442655,0.0900641129,0.0900641129,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Ca-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Ca-Na-O-P-Si-Ti, expected Na6CaTiSiP3O20 to be Na4CaTiSi(PO6)2" +mp-2715058,Na8Ca3Ti(PO4)6,-7.0486021597,-2.8654393474,0.0360366263,0.0360366263,GGA,P3,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Ti,126.0,A3B8C24D6E_hP126_143_2a3b4c_2a2b2c6d_24d_6d_2ab:Ca-Na-O-P-Ti +mp-2713414,Na10Ca3Ti5(PO4)12,-7.5376499105,-2.9079037454,0.0497334516,0.0497334516,GGA,P1,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Ti,234.0,A3B10C48D12E5_aP234_1_9a_30a_144a_36a_15a:Ca-Na-O-P-Ti +mp-2715849,Na5CaTi3SiP5O24,-7.6585059009,-2.9529402078,0.0378806186,0.0378806186,GGA,P1,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Ti,117.0,AB5C24D5EF3_aP117_1_3a_15a_72a_15a_3a_9a:Ca-Na-O-P-Si-Ti +mp-2715415,Na3CaTi(PO4)3,-7.3445292658,-2.8710872741,0.0671219486,0.0671219486,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Ca-Na-O-P-Ti,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Ca-Na-O-P-Ti, expected Na3CaTi(PO5)6 to be Na3CaTi(PO4)3" +mp-2715257,Na3CaTi(PO4)3,-7.3442915712,-2.8708495796,0.0673596431,0.0673596431,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Ca-Na-O-P-Ti,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Ca-Na-O-P-Ti, expected Na14Ca3Ti3(PO4)18 to be Na3CaTi(PO4)3" +mp-2715370,Na6CaTi3Si2(PO6)4,-7.5776232286,-2.9563331574,0.0451576675,0.0451576675,GGA,P1,AB6C24D4E2F3_aP40_1_a_6a_24a_4a_2a_3a:Ca-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB6C24D4E2F3_aP40_1_a_12a_48a_8a_4a_6a:Ca-Na-O-P-Si-Ti, expected Na12CaTi6Si4(PO6)8 to be Na6CaTi3Si2(PO6)4" +mp-2715436,Na6CaTi3Si2(PO6)4,-7.5733364253,-2.9520463541,0.0494444709,0.0494444709,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Ti,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ca-Na-O-P-Si-Ti +mp-2714908,Na7CaTi3Si3(PO8)3,-7.4878160695,-2.9466906143,0.0567570632,0.0567570632,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Ti,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-P-Si-Ti +mp-2715607,Na7Ca2Ti2SiP5O24,-7.263398452,-2.8665150256,0.0859013406,0.0859013406,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Ti,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-Si-Ti +mp-2716417,Na6CaTi7(PO4)12,-7.951383718,-2.9836825832,0.0159610447,0.0159610447,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Ti,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ca-Na-O-P-Ti +mp-2714298,Na14Ca5Ti3(PO4)12,-7.1996054325,-2.8748430205,0.0448859339,0.0448859339,GGA,P1,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Ti,246.0,A5B14C48D12E3_aP246_1_15a_42a_144a_36a_9a:Ca-Na-O-P-Ti +mp-2713565,Na4CaTi3(PO4)6,-7.739827043,-2.9455501689,0.0325375273,0.0325375273,GGA,P1,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Ti,114.0,AB4C24D6E3_aP114_1_3a_12a_72a_18a_9a:Ca-Na-O-P-Ti +mp-2715541,Na2ScNb3Si4(SO12)2,-8.0638619749,-2.8423026489,0.0688708224,0.0688708224,GGA,P1,A2B3C24D2EF4_aP108_1_6a_9a_72a_6a_3a_12a:Na-Nb-O-S-Sc-Si,108.0,A2B3C24D2EF4_aP108_1_6a_9a_72a_6a_3a_12a:Na-Nb-O-S-Sc-Si +mp-2713062,Na6Sc4Nb4Si7S5O48,-7.811277291,-2.8143748312,0.0783897922,0.0783897922,GGA,P1,A6B4C48D5E4F7_aP222_1_18a_12a_144a_15a_12a_21a:Na-Nb-O-S-Sc-Si,222.0,A6B4C48D5E4F7_aP222_1_18a_12a_144a_15a_12a_21a:Na-Nb-O-S-Sc-Si +mp-2714169,Na10Sc4Nb4Si9(SO16)3,-7.7246662308,-2.8831454676,0.0908566526,0.0908566526,GGA,P1,A10B4C48D3E4F9_aP234_1_30a_12a_144a_9a_12a_27a:Na-Nb-O-S-Sc-Si,234.0,A10B4C48D3E4F9_aP234_1_30a_12a_144a_9a_12a_27a:Na-Nb-O-S-Sc-Si +mp-2712531,Na2Sc3NbSi2(SO6)4,-7.6551027173,-2.7145269523,0.0566169613,0.0566169613,GGA,P1,A2BC24D4E3F2_aP108_1_6a_3a_72a_12a_9a_6a:Na-Nb-O-S-Sc-Si,108.0,A2BC24D4E3F2_aP108_1_6a_3a_72a_12a_9a_6a:Na-Nb-O-S-Sc-Si +mp-2713905,Na2Sc2Nb2Si3(SO8)3,-7.8252456166,-2.7441780711,0.0969806214,0.0969806214,GGA,P1,A2B2C24D3E2F3_aP108_1_6a_6a_72a_9a_6a_9a:Na-Nb-O-S-Sc-Si,108.0,A2B2C24D3E2F3_aP108_1_6a_6a_72a_9a_6a_9a:Na-Nb-O-S-Sc-Si +mp-2715591,Na2Sc2Nb6Si7S5O48,-8.0979073507,-2.7833594546,0.0605762362,0.0605762362,GGA,P1,A2B6C48D5E2F7_aP210_1_6a_18a_144a_15a_6a_21a:Na-Nb-O-S-Sc-Si,210.0,A2B6C48D5E2F7_aP210_1_6a_18a_144a_15a_6a_21a:Na-Nb-O-S-Sc-Si +mp-2715937,Na6Sc6Nb2Si5S7O48,-7.6041953844,-2.7439876299,0.0796470307,0.0796470307,GGA,P1,A6B2C48D7E6F5_aP222_1_18a_6a_144a_21a_18a_15a:Na-Nb-O-S-Sc-Si,222.0,A6B2C48D7E6F5_aP222_1_18a_6a_144a_21a_18a_15a:Na-Nb-O-S-Sc-Si +mp-2714010,Na6Sc2Nb2Si5SO24,-7.7030468712,-2.9333901428,0.0705526348,0.0705526348,GGA,P1,A6B2C24DE2F5_aP120_1_18a_6a_72a_3a_6a_15a:Na-Nb-O-S-Sc-Si,120.0,A6B2C24DE2F5_aP120_1_18a_6a_72a_3a_6a_15a:Na-Nb-O-S-Sc-Si +mp-2713929,ScNb3Si3(SO8)3,-8.1279241455,-2.7149177636,0.0362481253,0.0362481253,GGA,P1,A3B24C3DE3_aP102_1_9a_72a_9a_3a_9a:Nb-O-S-Sc-Si,102.0,A3B24C3DE3_aP102_1_9a_72a_9a_3a_9a:Nb-O-S-Sc-Si +mp-2712901,Sc3NbSiS5O24,-7.7161975453,-2.6007031691,0.0367343346,0.0367343346,GGA,P1,AB24C5D3E_aP102_1_3a_72a_15a_9a_3a:Nb-O-S-Sc-Si,102.0,AB24C5D3E_aP102_1_3a_72a_15a_9a_3a:Nb-O-S-Sc-Si +mp-2712604,Na2ScNbSi2SO12,-7.749380993,-2.8322138775,0.1094405752,0.1094405752,GGA,Cc,A2BC12DEF2_mC76_9_2a_a_12a_a_a_2a:Na-Nb-O-S-Sc-Si,114.0,"Invalid WP multiplicities - A2BC12DEF2_mC76_9_2a_a_72a_a_a_12a:Na-Nb-O-S-Sc-Si, expected Na2ScNbSi12SO72 to be Na2ScNbSi2SO12" +mp-2714476,Na6Sc3NbSi4(SO12)2,-7.508126396,-2.86491227,0.0894383254,0.0894383254,GGA,P1,A6BC24D2E3F4_aP120_1_18a_3a_72a_6a_9a_12a:Na-Nb-O-S-Sc-Si,120.0,A6BC24D2E3F4_aP120_1_18a_3a_72a_6a_9a_12a:Na-Nb-O-S-Sc-Si +mp-2713987,Na2Sc3Nb5Si6(SO8)6,-7.9830256338,-2.7407306534,0.0749810162,0.0749810162,GGA,P1,A2B5C48D6E3F6_aP210_1_6a_15a_144a_18a_9a_18a:Na-Nb-O-S-Sc-Si,210.0,A2B5C48D6E3F6_aP210_1_6a_15a_144a_18a_9a_18a:Na-Nb-O-S-Sc-Si +mp-2714681,Na6Sc5Nb3Si6(SO8)6,-7.7081053569,-2.7795502498,0.0791531298,0.0791531298,GGA,P1,A6B3C48D6E5F6_aP222_1_18a_9a_144a_18a_15a_18a:Na-Nb-O-S-Sc-Si,222.0,A6B3C48D6E5F6_aP222_1_18a_9a_144a_18a_15a_18a:Na-Nb-O-S-Sc-Si +mp-2714378,Na14Sc4Nb4Si11SO48,-7.6719417119,-2.9706434555000003,0.0484610383,0.0484610383,GGA,P1,A14B4C48DE4F11_aP246_1_42a_12a_144a_3a_12a_33a:Na-Nb-O-S-Sc-Si,246.0,A14B4C48DE4F11_aP246_1_42a_12a_144a_3a_12a_33a:Na-Nb-O-S-Sc-Si +mp-2713368,ScNbSi(SO6)2,-7.8927390594,-2.6284886804000003,0.0658130159,0.0658130159,GGA,Cc,AB12C2DE_mC204_9_3a_36a_6a_3a_3a:Nb-O-S-Sc-Si,102.0,"Invalid WP multiplicities - AB12C2DE_mC204_9_3a_60a_9a_3a_3a:Nb-O-S-Sc-Si, expected ScNbSiS3O20 to be ScNbSi(SO6)2" +mp-2716311,Na2Sc6Nb2Si3(S3O16)3,-7.6898081166,-2.6642718834,0.0503167668,0.0503167668,GGA,P1,A2B2C48D9E6F3_aP210_1_6a_6a_144a_27a_18a_9a:Na-Nb-O-S-Sc-Si,210.0,A2B2C48D9E6F3_aP210_1_6a_6a_144a_27a_18a_9a:Na-Nb-O-S-Sc-Si +mp-2715086,Na4ScNb3Si5SO24,-7.980074814,-2.9298102223,0.064531386,0.064531386,GGA,P1,A4B3C24DEF5_aP114_1_12a_9a_72a_3a_3a_15a:Na-Nb-O-S-Sc-Si,114.0,A4B3C24DEF5_aP114_1_12a_9a_72a_3a_3a_15a:Na-Nb-O-S-Sc-Si +mp-2716318,Na10Sc2Nb6Si11SO48,-7.9366571266,-2.965451643,0.059009317,0.059009317,GGA,P1,A10B6C48DE2F11_aP234_1_30a_18a_144a_3a_6a_33a:Na-Nb-O-S-Sc-Si,234.0,A10B6C48DE2F11_aP234_1_30a_18a_144a_3a_6a_33a:Na-Nb-O-S-Sc-Si +mp-2714857,Na14Sc6Nb2Si9(SO16)3,-7.4800247146,-2.9020850948,0.0719126837,0.0719126837,GGA,P1,A14B2C48D3E6F9_aP246_1_42a_6a_144a_9a_18a_27a:Na-Nb-O-S-Sc-Si,246.0,A14B2C48D3E6F9_aP246_1_42a_6a_144a_9a_18a_27a:Na-Nb-O-S-Sc-Si +mp-2715879,Na10Sc6Nb2Si7S5O48,-7.547209812,-2.8353737693000003,0.0851668857,0.0851668857,GGA,P1,A10B2C48D5E6F7_aP234_1_30a_6a_144a_15a_18a_21a:Na-Nb-O-S-Sc-Si,234.0,A10B2C48D5E6F7_aP234_1_30a_6a_144a_15a_18a_21a:Na-Nb-O-S-Sc-Si +mp-2713059,Na6Sc2Nb6Si9(SO16)3,-8.0165998779,-2.8830027127,0.0778843982,0.0778843982,GGA,P1,A6B6C48D3E2F9_aP222_1_18a_18a_144a_9a_6a_27a:Na-Nb-O-S-Sc-Si,222.0,A6B6C48D3E2F9_aP222_1_18a_18a_144a_9a_6a_27a:Na-Nb-O-S-Sc-Si +mp-2713659,Na4Sc3NbSi3(SO8)3,-7.5866582945,-2.8025886553,0.0707740814,0.0707740814,GGA,P1,A4BC24D3E3F3_aP114_1_12a_3a_72a_9a_9a_9a:Na-Nb-O-S-Sc-Si,114.0,A4BC24D3E3F3_aP114_1_12a_3a_72a_9a_9a_9a:Na-Nb-O-S-Sc-Si +mp-2716208,Na2Sc4Nb4Si5S7O48,-7.8759223128,-2.7058802481,0.0791903182,0.0791903182,GGA,P1,A2B4C48D7E4F5_aP210_1_6a_12a_144a_21a_12a_15a:Na-Nb-O-S-Sc-Si,210.0,A2B4C48D7E4F5_aP210_1_6a_12a_144a_21a_12a_15a:Na-Nb-O-S-Sc-Si +mp-2715699,Na8Sc3NbSi5SO24,-7.4541369611,-2.9383635376,0.0484082939,0.0484082939,GGA,P1,A8BC24DE3F5_aP126_1_24a_3a_72a_3a_9a_15a:Na-Nb-O-S-Sc-Si,126.0,A8BC24DE3F5_aP126_1_24a_3a_72a_3a_9a_15a:Na-Nb-O-S-Sc-Si +mp-2716434,Na10Sc7NbSi6(SO8)6,-7.459208638,-2.8122149556,0.0750553762,0.0750553762,GGA,P1,A10BC48D6E7F6_aP234_1_30a_3a_144a_18a_21a_18a:Na-Nb-O-S-Sc-Si,234.0,A10BC48D6E7F6_aP234_1_30a_3a_144a_18a_21a_18a:Na-Nb-O-S-Sc-Si +mp-1227763,BaSr2Y2Cu2PtO10,-7.0958442717,-2.5421032802,0.0218133522,0.0218133522,GGA,Cm,AB2C10DE2F2_mC36_8_a_2a_2a4b_a_2a_2a:Ba-Cu-O-Pt-Sr-Y,18.0,AB2C10DE2F2_mC36_8_a_2a_2a4b_a_2a_2a:Ba-Cu-O-Pt-Sr-Y +mp-1147555,Sr2CuPtO2,-5.5247206767,-1.6176032901,0.4873146217,0.4873146217,GGA,P4/mmm,AB2CD2_tP6_123_b_e_a_h:Cu-O-Pt-Sr,6.0,AB2CD2_tP6_123_b_e_a_h:Cu-O-Pt-Sr +mp-504966,Ba2Y2CuPtO8,-7.4110888945,-2.6600359097,0.0176312358,0.0176312358,GGA,Pnma,A2BC8DE2_oP56_62_2c_c_2c3d_c_2c:Ba-Cu-O-Pt-Y,56.0,"Invalid WP multiplicities - A2BC8DE2_oP56_62_6c_c_8c21d_c_4c:Ba-Cu-O-Pt-Y, expected Ba6Y4CuPtO50 to be Ba2Y2CuPtO8" +mp-6829,Ba3Y2Cu2PtO10,-7.07868042,-2.4994414856,0.0259886772,0.0259886772,GGA,C2/m,A3B2C10DE2_mC36_12_ai_i_i2j_d_i:Ba-Cu-O-Pt-Y,18.0,"Invalid WP multiplicities - A3B2C10DE2_mC36_12_a2i_i_i2j_c_i:Ba-Cu-O-Pt-Y, expected Ba5Y2Cu2PtO10 to be Ba3Y2Cu2PtO10" +mp-1097403,SrYPt2,-4.0939951425,0.9805626592,2.0026944334,2.0026944334,GGA,Immm,A2BC_oI8_71_e_a_b:Pt-Sr-Y,4.0,A2BC_oI8_71_e_a_b:Pt-Sr-Y +mp-1214627,Ba2SrY2Cu2PtO10,-7.1063146489,-2.539824686,0.0057433506,0.0057433506,GGA,C2/m,A2B2C10DEF2_mC36_12_i_i_i2j_a_d_i:Ba-Cu-O-Pt-Sr-Y,18.0,A2B2C10DEF2_mC36_12_i_i_i2j_a_c_i:Ba-Cu-O-Pt-Sr-Y +mp-1097357,Y2CuPt,-3.9897369475,1.7860836067,2.5455788328,2.5455788328,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Pt-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Pt-Y +mp-1187771,Y2CuPt,-6.5239684275,-0.7481478733,0.0113473528,0.0113473528,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pt-Y,4.0,ABC2_cF16_225_a_b_c:Cu-Pt-Y +mp-1187070,Sr2CuPt,-3.7740097,-0.3866779758,0.1214666857,0.1214666857,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Cu-Pt-Sr,4.0,ABC2_cF16_225_a_b_c:Cu-Pt-Sr +mp-6595,Sr3CuPtO6,-6.3221692645,-2.2386281175,0.0,-0.0347068703,GGA,C2/c,AB6CD3_mC44_15_e_3f_c_ef:Cu-O-Pt-Sr,22.0,AB6CD3_mC44_15_e_3f_c_ef:Cu-O-Pt-Sr +mp-2715074,Na6Ca7Sn(SO4)12,-6.6259000756,-2.3953273821,0.0277955969,0.0277955969,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Sn,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Sn +mp-2715536,Na14Ca4Si7Sn4S5O48,-6.6273650175,-2.4971628866,0.1132836503,0.1132836503,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Sn,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Sn +mp-2714830,Na2Ca5Sn3(SO4)12,-6.6726796151,-2.2186764423,0.0129149183,0.0129149183,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Sn,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Sn +mp-2716084,Na6Ca2Si5Sn6S7O48,-6.7360674293,-2.2830055373,0.1475117286,0.1475117286,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Sn,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Sn +mp-2714334,Na2Ca2SiSn2S5O24,-6.6892103074,-2.2585577938,0.07646366,0.07646366,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Sn,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Sn +mp-2714635,Na14Ca2Si9Sn6(SO16)3,-6.7151583873,-2.5046430823,0.0994878325,0.0994878325,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Sn,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Sn +mp-2716554,Na10Ca3Si6Sn5(SO8)6,-6.6826352379,-2.3992816819,0.1490573419,0.1490573419,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Sn,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Sn +mp-2712795,Na6Ca3Si2Sn(SO6)4,-6.5698776182,-2.4679154218,0.1144078851,0.1144078851,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Sn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Sn +mp-2714785,Na10Ca6Si3Sn2(S3O16)3,-6.5919868826,-2.4352810241,0.1095632114,0.1095632114,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Sn,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Sn +mp-2716029,Na10Ca2Si7Sn6S5O48,-6.7420754905,-2.4165060352,0.1329979181,0.1329979181,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Sn,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Sn +mp-2714382,Na4CaSi2SnSO12,-6.5863986129,-2.507702262,0.1234718915,0.1234718915,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ca-Na-O-S-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Ca-Na-O-S-Si-Sn, expected Na14CaSi7SnSO60 to be Na4CaSi2SnSO12" +mp-2713880,CaSn(SO4)3,-6.7008714734,-2.125295834,0.0,-0.0082648119,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Ca-O-S-Sn,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Ca-O-S-Sn, expected CaSn(SO12)3 to be CaSn(SO4)3" +mp-2715168,Na8Ca3Si3Sn(SO8)3,-6.5292486729,-2.5289532775,0.1076227558,0.1076227558,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Sn,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Sn +mp-2715611,Na8CaSi5Sn3SO24,-6.7163046298,-2.5592073231,0.0665649504,0.0665649504,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Sn,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Sn +mp-2712876,CaSiSn3S5O24,-6.7511125026,-2.0786886238,0.0456934938,0.0456934938,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Sn,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Sn +mp-2716248,Na6Ca2Si3Sn2(SO8)3,-6.5985377339,-2.4142545341,0.1703403852,0.1703403852,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Sn,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Sn +mp-2713701,Na2CaSiSn(SO6)2,-6.6381535064,-2.3371690527,0.1706146996,0.1706146996,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Ca-Na-O-S-Si-Sn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Ca-Na-O-S-Si-Sn, expected Na2CaSiSnS3O20 to be Na2CaSiSn(SO6)2" +mp-2713261,Na6Ca6SiSn2S11O48,-6.6351286551,-2.3600581219,0.0645437145,0.0645437145,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Sn,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Sn +mp-2712819,Na2CaSi2Sn3(SO6)4,-6.7645229212,-2.2424026259,0.0956587013,0.0956587013,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Sn,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Sn +mp-2714031,Na2Ca3Sn(SO4)6,-6.6486749519,-2.3094902199,0.0224913603,0.0224913603,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Sn,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Sn +mp-2714871,Na6CaSi6Sn7(SO8)6,-6.8031301198000005,-2.3055703881,0.1264257352,0.1264257352,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Sn,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Sn +mp-2714106,Na2Ca4SiSn4S11O48,-6.692121716,-2.1910779698,0.0420767544,0.0420767544,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Sn,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Sn +mp-2715943,Na14Ca6Si5Sn2S7O48,-6.5281007045,-2.4782117477,0.1366119627,0.1366119627,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Sn,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Sn +mp-2713758,Na6Ca4Si3Sn4(S3O16)3,-6.6870556895,-2.3229894769,0.1045700743,0.1045700743,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Sn,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Sn +mp-2713339,Na4Ca3SiSnS5O24,-6.6224968264,-2.4081660605,0.0967378116,0.0967378116,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Sn,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Sn +mp-2715136,Na10Ca4Si5Sn4S7O48,-6.6210345045,-2.3798968477,0.1672772467,0.1672772467,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Sn,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Sn +mp-2716466,Na2Ca2Si3Sn6(S3O16)3,-6.7557133289,-2.1605884359,0.074689431,0.074689431,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Sn,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Sn +mp-2714433,Na6CaSi4Sn3(SO12)2,-6.7237704543,-2.4571662511,0.1209551557,0.1209551557,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Sn,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Sn +mp-2714093,Na14Ca5Si6Sn3(SO8)6,-6.5674757337,-2.4774301898,0.1357831636,0.1357831636,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Sn,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Sn +mp-2713675,Na4CaSi3Sn3(SO8)3,-6.7213981475,-2.333760006,0.1764149173,0.1764149173,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Sn,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Sn +mp-1214735,Ba6Fe3Si8C2(ClO10)3,-7.6233766681,-2.7631832101,0.1226640682,0.1226640682,GGA+U,P3m1,A6B2C3D3E30F8_hP52_156_2d_2b_d_d_a2c5d2e_2a2d:Ba-C-Cl-Fe-O-Si,52.0,A6B2C3D3E30F8_hP52_156_2d_2b_d_d_a2c5d2e_2a2d:Ba-C-Cl-Fe-O-Si +mp-1212763,FeSi2C4(Cl3O2)2,-6.2276954665,-1.1033840521,0.510130007,0.510130007,GGA+U,P2_1/c,A4B6CD4E2_mP34_14_2e_3e_a_2e_e:C-Cl-Fe-O-Si,34.0,A4B6CD4E2_mP34_14_2e_3e_a_2e_e:C-Cl-Fe-O-Si +mp-1228666,Ba4Fe12Si8ClO35,-8.0018734222,-2.5401844209,0.0257711439,0.0257711439,GGA+U,P1,A4BC12D35E8_aP60_1_4a_a_12a_35a_8a:Ba-Cl-Fe-O-Si,60.0,A4BC12D35E8_aP60_1_4a_a_12a_35a_8a:Ba-Cl-Fe-O-Si +mp-1233201,MgMn4(AgO4)4,-6.1944655748,-1.0454421903,0.2335293967,0.2335293967,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O +mp-2220928,MgMn4(AgO4)4,-6.1863386368,-1.0373152523,0.2416563347,0.2416563347,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O +mp-2220534,MgMn4(AgO4)4,-6.2119223948,-1.0628990103,0.2160725767,0.2160725767,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O +mp-2220649,MgMn4(AgO4)4,-6.1923858564,-1.0433624719,0.2356091151,0.2356091151,GGA+U,P1,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O +mp-1233235,MgMn4(AgO4)4,-6.1965411184,-1.0475177339,0.2314538531,0.2314538531,GGA+U,P2,A4BC4D16_mP25_3_2e_a_2e_8e:Ag-Mg-Mn-O,25.0,A4BC4D16_aP25_1_4a_a_4a_16a:Ag-Mg-Mn-O +mp-2240201,MgMn2(AgO3)2,-6.5360723064,-1.5115673147000002,0.1696118245,0.1696118245,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Ag-Mg-Mn-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Ag-Mg-Mn-O +mp-2223323,MgMn2(AgO3)2,-6.6413454673,-1.6168404756,0.0643386636,0.0643386636,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Ag-Mg-Mn-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Ag-Mg-Mn-O +mp-2240405,MgMn2(AgO3)2,-6.5819734509,-1.5574684592,0.12371068,0.12371068,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Ag-Mg-Mn-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Ag-Mg-Mn-O +mp-2232382,BaMgMnV2(AgO4)2,-7.069639242,-1.9971256341,0.3506143265,0.3506143265,GGA+U,P1,A2BCDE8F2_aP15_1_2a_a_a_a_8a_2a:Ag-Ba-Mg-Mn-O-V,15.0,A2BCDE8F2_aP15_1_2a_a_a_a_8a_2a:Ag-Ba-Mg-Mn-O-V +mp-2232129,BaMgMnV2(AgO4)2,-7.1303962413,-2.0578826334,0.2898573272,0.2898573272,GGA+U,P1,A2BCDE8F2_aP15_1_2a_a_a_a_8a_2a:Ag-Ba-Mg-Mn-O-V,15.0,A2BCDE8F2_aP15_1_2a_a_a_a_8a_2a:Ag-Ba-Mg-Mn-O-V +mp-2210750,MgMnAgO2,-6.29755116,-1.5999054064,0.4136527707,0.4136527707,GGA+U,Cm,ABCD2_mC10_8_a_a_a_2a:Ag-Mg-Mn-O,5.0,ABCD2_mC10_8_a_a_a_2a:Ag-Mg-Mn-O +mp-2217133,MgMn2(AgO2)2,-6.5173359489,-1.4755384505,0.3460483585,0.3460483585,GGA+U,P3m1,A2BC2D4_hP9_156_ab_c_2c_2a2b:Ag-Mg-Mn-O,9.0,A2BC2D4_hP9_156_ab_c_2c_2a2b:Ag-Mg-Mn-O +mp-2227067,MgMn2(AgO2)2,-6.5453453333,-1.5035478349,0.3180389741,0.3180389741,GGA+U,P3m1,A2BC2D4_hP9_156_ab_a_2c_2a2b:Ag-Mg-Mn-O,9.0,A2BC2D4_hP9_156_ab_a_2c_2a2b:Ag-Mg-Mn-O +mp-19174,BaMnV2(AgO4)2,-7.4459188693,-2.1253885787,0.0206873501,0.0206873501,GGA+U,P-3,A2BCD8E2_hP14_147_d_a_b_dg_d:Ag-Ba-Mn-O-V,28.0,A2BCD8E2_hP14_147_d_a_b_dg_d:Ag-Ba-Mn-O-V +mp-2712609,NaZrGaSi(SO6)2,-7.2682687305,-2.4928907169,0.0540048156,0.0540048156,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ga-Na-O-S-Si-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ga-Na-O-S-Si-Zr, expected NaZrGaSiS3O20 to be NaZrGaSi(SO6)2" +mp-2716420,Na2Zr4Ga4Si3(S3O16)3,-7.2731050355,-2.4174864894,0.0427432927,0.0427432927,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Zr,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ga-Na-O-S-Si-Zr +mp-2714614,Na3ZrGaSi2SO12,-7.173920323,-2.6793841733,0.1124114543,0.1124114543,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ga-Na-O-S-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Ga-Na-O-S-Si-Zr, expected Na13ZrGaSi7SO72 to be Na3ZrGaSi2SO12" +mp-2716111,Na6Zr4Ga4Si5S7O48,-7.2363091818,-2.5368343747,0.0834194427,0.0834194427,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Zr,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ga-Na-O-S-Si-Zr +mp-2715654,Na8Zr2Ga2Si5SO24,-7.1371557706,-2.7629804197,0.0709546698,0.0709546698,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Zr,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ga-Na-O-S-Si-Zr +mp-2713272,Na4Zr2Ga2Si3(SO8)3,-7.2190834918,-2.5915169855,0.0982341543,0.0982341543,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Zr,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ga-Na-O-S-Si-Zr +mp-2716014,Na10Zr4Ga4Si7S5O48,-7.1863827088,-2.6270368982,0.1286475988,0.1286475988,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Zr,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ga-Na-O-S-Si-Zr +mp-2715055,Na14Zr4Ga4Si9(SO16)3,-7.155483653,-2.7225957172,0.0926759806,0.0926759806,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Zr,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ga-Na-O-S-Si-Zr +mp-2714778,Na3Zr3GaSi3(SO8)3,-7.6060910744,-2.740020627,0.071871191,0.071871191,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Zr,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Ga-Na-O-S-Si-Zr +mp-2712895,Zr2Ga2SiS5O24,-7.2827917473,-2.3422126373,0.0259543688,0.0259543688,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Zr,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ga-O-S-Si-Zr +mp-2716485,Na5ZrGa3Si3(SO8)3,-6.8486351619,-2.4473416253,0.1265324609,0.1265324609,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ga-Na-O-S-Si-Zr +mp-776753,Li4CrFe2Ni3(PO4)6,-7.3964720435,-2.3272336558,0.0897241493,0.0897241493,GGA+U,P1,AB2C4D3E24F6_aP40_1_a_2a_4a_3a_24a_6a:Cr-Fe-Li-Ni-O-P,40.0,AB2C4D3E24F6_aP40_1_a_2a_4a_3a_24a_6a:Cr-Fe-Li-Ni-O-P +mp-1178099,Li10Cr3Fe3(NiO8)2,-6.8162855309,-1.9878817825,0.0646131425,0.0646131425,GGA+U,P1,A3B3C10D2E16_aP34_1_3a_3a_10a_2a_16a:Cr-Fe-Li-Ni-O,34.0,"Invalid WP multiplicities - A3B3C10D2E16_mC68_8_ab_ab_6a4b_2a_8a7b:Cr-Fe-Li-Ni-O, expected Li14Cr3Fe3(NiO11)2 to be Li10Cr3Fe3(NiO8)2" +mp-775215,Li10Cr3Fe3(NiO8)2,-6.8142672226,-1.9858634742,0.0666314507,0.0666314507,GGA+U,Cm,A3B3C10D2E16_mC68_8_ab_ab_6a2b_2a_8a4b:Cr-Fe-Li-Ni-O,34.0,"Invalid WP multiplicities - A3B3C10D2E16_mC68_8_ab_ab_6a4b_2a_8a7b:Cr-Fe-Li-Ni-O, expected Li14Cr3Fe3(NiO11)2 to be Li10Cr3Fe3(NiO8)2" +mp-776011,Cr2Fe3Ni(PO4)6,-7.9127191139,-2.3100346872,0.0637257677,0.0637257677,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cr-Fe-Ni-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_2b:Cr-Fe-Ni-O-P, expected Cr2Fe3Ni(PO11)6 to be Cr2Fe3Ni(PO4)6" +mp-850902,CrFe3Ni2(PO4)6,-7.7460562147,-2.2509526433,0.0302111893,0.0302111893,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cr-Fe-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cr-Fe-Ni-O-P, expected CrFe3Ni2(PO11)6 to be CrFe3Ni2(PO4)6" +mp-2714472,Na4ScGaSi(PO6)2,-7.1041468713,-2.8059157342,0.0447161974,0.0447161974,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ga-Na-O-P-Sc-Si,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ga-Na-O-P-Sc-Si +mp-2715739,Na7Sc2Ga2SiP5O24,-7.1752338393,-2.8047175725,0.0428238173,0.0428238173,GGA,P1,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:Ga-Na-O-P-Sc-Si,123.0,A2B7C24D5E2F_aP123_1_6a_21a_72a_15a_6a_3a:Ga-Na-O-P-Sc-Si +mp-2715490,Na3ScGa(PO4)3,-7.2577812815,-2.8113656284,0.0213898901,0.0213898901,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Ga-Na-O-P-Sc,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Ga-Na-O-P-Sc +mp-2715318,Na3ScGa(PO4)3,-7.2565012332,-2.81008558,0.0226699385,0.0226699385,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Ga-Na-O-P-Sc,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Ga-Na-O-P-Sc +mp-731668,Ca2Mn(AsO5)2,-6.8400720413,-2.042849443,0.1620917834,0.1620917834,GGA+U,P2_1/c,A2B2CD10_mP30_14_e_e_a_5e:As-Ca-Mn-O,30.0,A2B2CD10_mP30_14_e_e_a_5e:As-Ca-Mn-O +mp-532462,Ca14MnAs11,-4.5305658275,-1.127076748,0.0,-0.0209008657,GGA,Iba2,A11B14C_oI208_45_11c_ab13c_c:As-Ca-Mn,104.0,"Invalid WP multiplicities - A11B14C_oI208_45_38c_2a2b50c_c:As-Ca-Mn, expected Ca52MnAs38 to be Ca14MnAs11" +mp-1228163,CaMnZnAs2H3O10,-6.4374679944,-1.9157646145,0.0068696892,0.0068696892,GGA+U,P1,A2BC3DE10F_aP18_1_2a_a_3a_a_10a_a:As-Ca-H-Mn-O-Zn,36.0,A2BC3DE10F_aP18_1_2a_a_3a_a_10a_a:As-Ca-H-Mn-O-Zn +mp-1307235,CaMnZnAs2H3O10,-6.4323851171,-1.9106817371,0.0119525666,0.0119525666,GGA+U,P1,A2BC3DE10F_aP72_1_8a_4a_12a_4a_40a_4a:As-Ca-H-Mn-O-Zn,72.0,A2BC3DE10F_aP72_1_8a_4a_12a_4a_40a_4a:As-Ca-H-Mn-O-Zn +mp-1326396,CaMnAsO5,-7.4069429913,-2.3369208496,0.0200221517,0.0200221517,GGA+U,P2_12_12_1,ABCD5_oP32_19_a_a_a_5a:As-Ca-Mn-O,32.0,ABCD5_oP32_19_a_a_a_5a:As-Ca-Mn-O +mp-5498,Ca(MnAs)2,-6.400780544,-0.4712070892,0.0788424024,0.0788424024,GGA,P-3m1,A2BC2_hP5_164_d_a_d:As-Ca-Mn,5.0,A2BC2_hP5_164_d_a_d:As-Ca-Mn +mp-1214256,Ca2MnAs2(HO4)2,-6.4595110977,-1.8694835215,0.352922945,0.352922945,GGA+U,P2_1/c,A2B2C2DE8_mP30_14_e_e_e_a_4e:As-Ca-H-Mn-O,30.0,A2B2C2DE8_mP30_14_e_e_e_a_4e:As-Ca-H-Mn-O +mp-1042777,CaMnAs2O7,-7.214188543,-2.2039455465,0.006809404,0.006809404,GGA+U,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Mn-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:As-Ca-Mn-O +mp-780696,CaMnAs2(H3O5)2,-6.3020814682,-1.7866267,0.0143504474,0.0143504474,GGA+U,P-1,A2BC6DE10_aP40_2_2i_i_6i_i_10i:As-Ca-H-Mn-O,40.0,"Invalid WP multiplicities - A2BC6DE10_aP40_2_3i_i_11i_i_19i:As-Ca-H-Mn-O, expected CaMnAs3H11O19 to be CaMnAs2(H3O5)2" +mp-23716,Ca2MnAs2(H2O5)2,-6.6015921284,-2.100053015,0.0,-0.0075189949,GGA+U,P2_1/c,A2B2C4DE10_mP38_14_e_e_2e_a_5e:As-Ca-H-Mn-O,38.0,"Invalid WP multiplicities - A2B2C4DE10_mP38_14_e_e_2e_a_6e:As-Ca-H-Mn-O, expected Ca2MnAs2(HO3)4 to be Ca2MnAs2(H2O5)2" +mp-1047495,Ca3Mn3(AsO4)4,-7.3760490304,-2.3265744721,0.0,-0.0140014949,GGA+U,P2_1/c,A4B3C3D16_mP52_14_2e_ae_de_8e:As-Ca-Mn-O,52.0,"Invalid WP multiplicities - A4B3C3D16_mP52_14_5e_ae_de_29e:As-Ca-Mn-O, expected Ca3Mn3(As5O29)2 to be Ca3Mn3(AsO4)4" +mp-1221815,Mn3SiW2,-10.043769425,-0.239165364,0.0,-0.0296486333,GGA,P6_3/mmc,A3BC2_hP12_194_h_a_f:Mn-Si-W,12.0,A3BC2_hP12_194_h_a_f:Mn-Si-W +mp-1093872,Mn2SiW,-5.672573275,3.504296436,3.7922466541,3.7922466541,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Si-W,4.0,A2BC_oI8_71_e_a_b:Mn-Si-W +mp-1047959,Be3Si3(WO6)2,-8.3063418106,-2.6678059266,0.1940510561,0.1940510561,GGA+U,P2_1/c,A3B12C3D2_mP80_14_3e_12e_3e_2e:Be-O-Si-W,80.0,"Invalid WP multiplicities - A3B12C3D2_mP80_14_4e_17e_3e_2e:Be-O-Si-W, expected Be4Si3W2O17 to be Be3Si3(WO6)2" +mp-2217986,BaLaMgMn2O6,-7.8704234245,-2.7377484294,0.119859426,0.119859426,GGA+U,Cm,ABCD2E6_mC22_8_a_a_a_2a_2a2b:Ba-La-Mg-Mn-O,11.0,ABCD2E6_mC22_8_a_a_a_2a_2a2b:Ba-La-Mg-Mn-O +mp-2217598,BaLaMgMn2O6,-7.4504942582,-2.317819263,0.5397885924,0.5397885924,GGA+U,Pmmm,ABCD2E6_oP11_47_e_f_a_j_cdil:Ba-La-Mg-Mn-O,11.0,"Invalid WP multiplicities - ABCD2E6_oP11_47_e_f_a_j_cd2i2l:Ba-La-Mg-Mn-O, expected BaLaMgMn2O10 to be BaLaMgMn2O6" +mp-2225354,BaLaMgMn2O6,-7.7313891127,-2.5987141176,0.2588937378,0.2588937378,GGA+U,P4mm,ABCD2E6_tP11_99_a_a_a_2b_2b2c:Ba-La-Mg-Mn-O,11.0,ABCD2E6_tP11_99_a_a_a_2b_2b2c:Ba-La-Mg-Mn-O +mp-684803,Ba3La3Mn2(WO6)3,-8.6092750217,-2.8574210834,0.1174361217,0.1174361217,GGA+U,R3m,A3B3C2D18E3_hR87_160_3a_3a_2a_6b_3a:Ba-La-Mn-O-W,29.0,A3B3C2D18E3_hR87_160_3a_3a_2a_6b_3a:Ba-La-Mn-O-W +mp-560825,Ba2La2Mn(WO6)2,-8.6296983576,-2.9376718115,0.0735349832,0.0735349832,GGA+U,R-3m,A2B2CD12E2_hR57_166_c_c_a_2h_c:Ba-La-Mn-O-W,38.0,A2B2CD12E2_hR57_166_c_c_a_2h_c:Ba-La-Mn-O-W +mp-2230028,Ba2La2MgMn(WO6)2,-8.365285805,-2.8778465836,0.1325777615,0.1325777615,GGA+U,C2/m,A2B2CDE12F2_mC40_12_i_i_a_d_2i2j_i:Ba-La-Mg-Mn-O-W,20.0,"Invalid WP multiplicities - A2B2CDE12F2_mC40_12_i_i_a_c_4i7j_i:Ba-La-Mg-Mn-O-W, expected Ba2La2MgMn(WO18)2 to be Ba2La2MgMn(WO6)2" +mp-2240013,Ba2MgMnWO6,-7.5833765364,-2.3798758346,0.3083120311,0.3083120311,GGA+U,Immm,A2BCD6E_oI22_71_f_c_a_el_b:Ba-Mg-Mn-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_mC22_12_h_c_b_2g3i_a:Ba-Mg-Mn-O-W, expected Ba2MgMnWO10 to be Ba2MgMnWO6" +mp-2240183,Ba2MgMnWO6,-7.4734329955,-2.2699322937,0.418255572,0.418255572,GGA+U,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Mg-Mn-O-W,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Mg-Mn-O-W, expected Ba2MgMnWO12 to be Ba2MgMnWO6" +mp-2713755,NaCaNb3(PO4)6,-8.1751783087,-2.89425304,0.010858592,0.010858592,GGA,P3,ABC3D24E6_hP105_143_2ab_2ab_2a3b4c_24d_6d:Ca-Na-Nb-O-P,105.0,ABC3D24E6_hP105_143_2ab_2ab_2a3b4c_24d_6d:Ca-Na-Nb-O-P +mp-2715590,Na3CaNb5Si3(PO6)6,-8.2005769967,-2.9539795208,0.0186854101,0.0186854101,GGA,P3c1,AB3C5D36E6F3_hP108_158_a_abc_a2b2c_12d_2d_d:Ca-Na-Nb-O-P-Si,108.0,AB3C5D36E6F3_hP108_158_a_abc_a2b2c_12d_2d_d:Ca-Na-Nb-O-P-Si +mp-2713476,Na15Ca7Nb5(PO4)18,-7.4375840103,-2.8394247275,0.0603054364,0.0603054364,GGA,P1,A7B15C5D72E18_aP117_1_7a_15a_5a_72a_18a:Ca-Na-Nb-O-P,117.0,A7B15C5D72E18_aP117_1_7a_15a_5a_72a_18a:Ca-Na-Nb-O-P +mp-2715808,Na3Ca2Nb10Si3(P5O24)3,-8.2900398117,-2.9316692885,0.0164606157,0.0164606157,GGA,P1,A2B3C10D72E15F3_aP105_1_2a_3a_10a_72a_15a_3a:Ca-Na-Nb-O-P-Si,105.0,A2B3C10D72E15F3_aP105_1_2a_3a_10a_72a_15a_3a:Ca-Na-Nb-O-P-Si +mp-2713297,Na2CaNb(PO4)3,-7.5904430809,-2.835067946,0.0706298482,0.0706298482,GGA,Cc,AB2CD12E3_mC76_9_a_2a_a_12a_3a:Ca-Na-Nb-O-P,114.0,"Invalid WP multiplicities - AB2CD12E3_mC76_9_a_2a_a_72a_18a:Ca-Na-Nb-O-P, expected Na2CaNb(PO4)18 to be Na2CaNb(PO4)3" +mp-2715365,Na9Ca4Nb2(PO4)9,-7.3110281247,-2.8622239013,0.0318370138,0.0318370138,GGA,P1,A4B9C2D36E9_aP360_1_24a_54a_12a_216a_54a:Ca-Na-Nb-O-P,360.0,A4B9C2D36E9_aP360_1_24a_54a_12a_216a_54a:Ca-Na-Nb-O-P +mp-2715247,Na9Ca4Nb2(PO4)9,-7.308593415,-2.8597891915,0.0342717235,0.0342717235,GGA,P1,A4B9C2D36E9_aP120_1_8a_18a_4a_72a_18a:Ca-Na-Nb-O-P,240.0,A4B9C2D36E9_aP120_1_16a_36a_8a_144a_36a:Ca-Na-Nb-O-P +mp-2219259,MgTe4Mo2W2(SeS)2,-6.5419840746,-0.6153850752000001,0.25650696,0.25650696,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2a_2a_2b_2a2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2a_2a_2b_2a2b_2b:Mg-Mo-S-Se-Te-W +mp-2218982,MgTe4Mo2W2(SeS)2,-6.5093382408,-0.5827392414,0.2891527938,0.2891527938,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2b_2a_2a_4b_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2b_2a_2a_4b_2a:Mg-Mo-S-Se-Te-W +mp-2219928,MgTe4Mo2W2(SeS)2,-6.5430180538,-0.6164190544,0.2554729808,0.2554729808,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2219462,MgTe4Mo2W2(SeS)2,-6.5331548454,-0.606555846,0.2653361892,0.2653361892,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2a_2b_2a_2a2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2a_2b_2a_2a2b_2b:Mg-Mo-S-Se-Te-W +mp-2219696,MgTe4Mo2W2(SeS)2,-6.5231606646,-0.5965616652,0.27533037,0.27533037,GGA,P3m1,AB2C2D2E4F2_hP13_156_a_ab_2b_2a_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_a_ab_2b_2a_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219168,MgTe4Mo2W2(SeS)2,-6.5314221369,-0.6048231375,0.2670688977,0.2670688977,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2219000,MgTe4Mo2W2(SeS)2,-6.5269088292,-0.6003098298,0.2715822054,0.2715822054,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2218861,MgTe4Mo2W2(SeS)2,-6.5479285546,-0.6213295552,0.25056248,0.25056248,GGA,P3m1,AB2C2D2E4F2_hP13_156_a_2b_2b_2a_2a2b_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_a_2b_2b_2a_2a2b_2a:Mg-Mo-S-Se-Te-W +mp-2219325,MgTe4Mo2W2(SeS)2,-6.5397655962,-0.6131665967000001,0.2587254385,0.2587254385,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2219803,MgTe4Mo2W2(SeS)2,-6.5373171915,-0.6107181921,0.2611738431,0.2611738431,GGA,P3m1,AB2C2D2E4F2_hP13_156_a_ab_2b_2a_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_a_ab_2b_2a_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219335,MgTe4Mo2W2(SeS)2,-6.5394665392,-0.6128675398,0.2590244954,0.2590244954,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219408,MgTe4Mo2W2(SeS)2,-6.5428064954,-0.616207496,0.2556845392,0.2556845392,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2219412,MgTe4Mo2W2(SeS)2,-6.51395322,-0.5873542206,0.2845378146,0.2845378146,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2218890,MgTe4Mo2W2(SeS)2,-6.5606022492000005,-0.6340032498,0.2378887854,0.2378887854,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219665,MgTe4Mo2W2(SeS)2,-6.5322489846,-0.6056499852,0.26624205,0.26624205,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219039,MgTe4Mo2W2(SeS)2,-6.5299342292,-0.6033352298,0.2685568054,0.2685568054,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219260,MgTe4Mo2W2(SeS)2,-6.5420504485,-0.615451449,0.2564405862,0.2564405862,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2219255,MgTe4Mo2W2(SeS)2,-6.5305057885,-0.603906789,0.2679852462,0.2679852462,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_2a_2b_2a_2a2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_2a_2b_2a_2a2b_2b:Mg-Mo-S-Se-Te-W +mp-2219406,MgTe4Mo2W2(SeS)2,-6.5094742954,-0.582875296,0.2890167392,0.2890167392,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-2227459,MgTe4Mo2W2(SeS)2,-6.53395651,-0.6073575106,0.2645345246,0.2645345246,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2a_4b_ab:Mg-Mo-S-Se-Te-W +mp-2228316,MgTe4Mo2W2(SeS)2,-6.5563693785,-0.629770379,0.2421216562,0.2421216562,GGA,P3m1,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D2E4F2_hP13_156_c_ab_2a_2b_2a2b_ab:Mg-Mo-S-Se-Te-W +mp-1026034,Mo(WS3)2,-8.0099233811,-1.1676334065,0.0021987189,0.0021987189,GGA,P3m1,AB6C2_hP9_156_a_2a4b_ab:Mo-S-W,9.0,AB6C2_hP9_156_a_2a4b_ab:Mo-S-W +mp-1025689,Mo(WS3)2,-8.0100164833,-1.1677265088,0.0021056167,0.0021056167,GGA,P-6m2,AB6C2_hP9_187_a_2gh_h:Mo-S-W,9.0,"Invalid WP multiplicities - AB6C2_hP9_187_a_3g2h_h:Mo-S-W, expected Mo(WS5)2 to be Mo(WS3)2" +mp-1028509,Te2MoW3(SeS2)2,-7.4011944492,-0.772504865,0.1860153129,0.1860153129,GGA,P3m1,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W +mp-1028490,Te2MoW3(SeS2)2,-7.41608694,-0.7873973559,0.1711228221,0.1711228221,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1028535,Te2MoW3(SeS2)2,-7.4389289883,-0.8102394042000001,0.1482807737,0.1482807737,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1026930,Te2MoW3(SeS2)2,-7.400980035,-0.7722904509,0.1862297271,0.1862297271,GGA,P3m1,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W +mp-1028668,Te2MoW3(SeS2)2,-7.4013054842,-0.7726158999999999,0.1859042779,0.1859042779,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1027002,Te2MoW3(SeS2)2,-7.4020886733,-0.7733990892,0.1851210887,0.1851210887,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1028795,Te2MoW3(SeS2)2,-7.4010784767,-0.7723888925,0.1861312854,0.1861312854,GGA,P3m1,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W +mp-1027155,Te2MoW3(SeS2)2,-7.401524305,-0.7728347209,0.1856854571,0.1856854571,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1027153,Te2MoW3(SeS2)2,-7.3998754342,-0.7711858500000001,0.1873343279,0.1873343279,GGA,P3m1,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4b_2a_2a_a2b:Mo-S-Se-Te-W +mp-1028871,Te2MoW3(SeS2)2,-7.40089323,-0.7722036459,0.1863165321,0.1863165321,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1027174,Te2MoW3(SeS2)2,-7.4018635533,-0.7731739692,0.1853462087,0.1853462087,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1028991,Te2MoW3(SeS2)2,-7.4379367158,-0.8092471317000001,0.1492730462,0.1492730462,GGA,P3m1,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W +mp-1029016,Te2MoW3(SeS2)2,-7.4391860567,-0.8104964725,0.1480237054,0.1480237054,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1029044,Te2MoW3(SeS2)2,-7.4170517208,-0.7883621367,0.1701580412,0.1701580412,GGA,P3m1,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W +mp-1029113,Te2MoW3(SeS2)2,-7.401776005,-0.7730864209,0.1854337571,0.1854337571,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1029125,Te2MoW3(SeS2)2,-7.4381898,-0.8095002159,0.1490199621,0.1490199621,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1029140,Te2MoW3(SeS2)2,-7.4381903217,-0.8095007375000001,0.1490194404,0.1490194404,GGA,P3m1,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W +mp-1029141,Te2MoW3(SeS2)2,-7.4011823625,-0.7724927784000001,0.1860273996,0.1860273996,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1029225,Te2MoW3(SeS2)2,-7.4179388233,-0.7892492392,0.1692709387,0.1692709387,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1029948,Te2MoW3(SeS2)2,-7.438270385,-0.8095808009000001,0.1489393771,0.1489393771,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2a_2b_a2b:Mo-S-Se-Te-W +mp-1030244,Te2MoW3(SeS2)2,-7.4179512333,-0.7892616492000001,0.1692585287,0.1692585287,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1030525,Te2MoW3(SeS2)2,-7.4170389167,-0.7883493325,0.1701708454,0.1701708454,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1030569,Te2MoW3(SeS2)2,-7.4165130367,-0.7878234525000001,0.1706967254,0.1706967254,GGA,P3m1,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_4a_2b_2b_a2b:Mo-S-Se-Te-W +mp-1080157,Te2MoW3(SeS2)2,-7.40011279,-0.7714232059,0.1870969721,0.1870969721,GGA,P3m1,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W,12.0,AB4C2D2E3_hP12_156_a_2a2b_2b_2a_a2b:Mo-S-Se-Te-W +mp-1026975,MoWSeS3,-7.7315864967,-1.113412927,0.0334561446,0.0334561446,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1027143,MoWSeS3,-7.7140404275,-1.0958668578,0.0510022138,0.0510022138,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Se-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Se-W +mp-1027274,MoWSeS3,-7.7314265283,-1.1132529586,0.0336161129,0.0336161129,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1027281,MoWSeS3,-7.7142781825,-1.0961046128,0.0507644587,0.0507644587,GGA,P3m1,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Se-W,12.0,AB3CD_hP12_156_2a_2a4b_2a_2b:Mo-S-Se-W +mp-1027292,MoWSeS3,-7.7309976992,-1.1128241295,0.0340449421,0.0340449421,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Se-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Se-W +mp-1027293,MoWSeS3,-7.713925015,-1.0957514453,0.0511176262,0.0511176262,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1027391,MoWSeS3,-7.7311191783,-1.1129456086,0.0339234629,0.0339234629,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1030146,MoWSeS3,-7.7312273167,-1.113053747,0.0338153246,0.0338153246,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1030131,MoWSeS3,-7.7143498425,-1.0961762728,0.0506927988,0.0506927988,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1027594,MoWSeS3,-7.7139201367,-1.095746567,0.0511225046,0.0511225046,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1027624,MoWSeS3,-7.7142115017,-1.096037932,0.0508311396,0.0508311396,GGA,P3m1,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W,12.0,AB3CD_hP12_156_ab_2a4b_2a_ab:Mo-S-Se-W +mp-1030745,MoWSeS3,-7.7315836042,-1.1134100345,0.0334590371,0.0334590371,GGA,P3m1,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Se-W,12.0,AB3CD_hP12_156_2b_2a4b_2a_2a:Mo-S-Se-W +mp-2242070,MgTe4Mo3S2,-6.091540198,-0.5932048293000001,0.2624815635,0.2624815635,GGA,P3m1,AB3C2D4_hP10_156_c_2ab_2a_4b:Mg-Mo-S-Te,10.0,AB3C2D4_hP10_156_c_2ab_2a_4b:Mg-Mo-S-Te +mp-1028492,TeW2S3,-7.7345697567,-0.8230837643000001,0.1391940642,0.1391940642,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:S-Te-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:S-Te-W +mp-1028512,TeW2S3,-7.73586865,-0.8243826577000001,0.1378951708,0.1378951708,GGA,P3m1,A3BC2_hP12_156_2a4b_2a_2a2b:S-Te-W,12.0,A3BC2_hP12_156_2a4b_2a_2a2b:S-Te-W +mp-1027802,Mo3W(Se3S)2,-7.2466575075,-1.0180367442,0.0563758392,0.0563758392,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W +mp-1027109,Mo3W(Se3S)2,-7.2307888592,-1.0021680959,0.0722444875,0.0722444875,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W +mp-1027145,Mo3W(Se3S)2,-7.2301405083,-1.001519745,0.0728928383,0.0728928383,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W +mp-1027404,Mo3W(Se3S)2,-7.2297084508,-1.0010876875,0.0733248958,0.0733248958,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W +mp-1080150,Mo3W(Se3S)2,-7.2299928475,-1.0013720842,0.0730404992,0.0730404992,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W +mp-1027549,Mo3W(Se3S)2,-7.230180225,-1.0015594617,0.0728531217,0.0728531217,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W +mp-1027729,Mo3W(Se3S)2,-7.2468967967,-1.0182760334,0.05613655,0.05613655,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Se-W +mp-1027781,Mo3W(Se3S)2,-7.2303919158,-1.0017711525,0.0726414308,0.0726414308,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Se-W +mp-1025853,Te2Mo3(SeS)2,-6.8726080944,-0.8627986716,0.0525281567,0.0525281567,GGA,P3m1,A3B2C2D2_hP9_156_a2b_2b_2a_2a:Mo-S-Se-Te,9.0,A3B2C2D2_hP9_156_a2b_2b_2a_2a:Mo-S-Se-Te +mp-1025927,Te2Mo3(SeS)2,-6.872063,-0.8622535771000001,0.0530732511,0.0530732511,GGA,P3m1,A3B2C2D2_hP9_156_a2b_2a_2a_2b:Mo-S-Se-Te,9.0,A3B2C2D2_hP9_156_a2b_2a_2a_2b:Mo-S-Se-Te +mp-1026002,Te2Mo3(SeS)2,-6.8717527667,-0.8619433438,0.0533834844,0.0533834844,GGA,P3m1,A3B2C2D2_hP9_156_a2b_2a_2b_2a:Mo-S-Se-Te,9.0,A3B2C2D2_hP9_156_a2b_2a_2b_2a:Mo-S-Se-Te +mp-1025598,Te4Mo(WSe)2,-6.8282896978,-0.569738909,0.068041035,0.068041035,GGA,P3m1,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-Se-Te-W,9.0,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-Se-Te-W +mp-1025682,Te4Mo(WSe)2,-6.8284929256,-0.5699421368,0.0678378072,0.0678378072,GGA,P3m1,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-Se-Te-W,9.0,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-Se-Te-W +mp-1025729,Te4Mo(WSe)2,-6.8029535589,-0.5444027702,0.0933771739,0.0933771739,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-Se-Te-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-Se-Te-W +mp-1025732,Te4Mo(WSe)2,-6.8283214111,-0.5697706224,0.0680093217,0.0680093217,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-Se-Te-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-Se-Te-W +mp-1025585,Te4Mo(WSe)2,-6.8033561156,-0.5448053268,0.0929746172,0.0929746172,GGA,P-6m2,AB2C4D2_hP9_187_a_h_2g_h:Mo-Se-Te-W,9.0,"Invalid WP multiplicities - AB2C4D2_hP9_187_a_h_3g_h:Mo-Se-Te-W, expected Te6Mo(WSe)2 to be Te4Mo(WSe)2" +mp-2240226,MgMo2W(SeS2)2,-6.884615873,-0.9058825807,0.286584264,0.286584264,GGA,P1,AB2C4D2E_aP10_1_a_2a_4a_2a_a:Mg-Mo-S-Se-W,10.0,AB2C4D2E_aP10_1_a_2a_4a_2a_a:Mg-Mo-S-Se-W +mp-2240486,MgMo2W(SeS2)2,-6.884555738,-0.9058224457,0.286644399,0.286644399,GGA,Amm2,AB2C4D2E_oC20_38_a_c_2c_c_b:Mg-Mo-S-Se-W,10.0,"Invalid WP multiplicities - AB2C4D2E_oC20_38_a_c_3c_c_b:Mg-Mo-S-Se-W, expected MgMo2W(SeS3)2 to be MgMo2W(SeS2)2" +mp-2222868,MgMo2W(SeS2)2,-6.914271884,-0.9355385917,0.256928253,0.256928253,GGA,P3m1,AB2C4D2E_hP10_156_a_2a_4b_2a_b:Mg-Mo-S-Se-W,10.0,AB2C4D2E_hP10_156_a_2a_4b_2a_b:Mg-Mo-S-Se-W +mp-2240518,MgMo2W(SeS2)2,-6.908984738,-0.9302514457,0.262215399,0.262215399,GGA,P3m1,AB2C4D2E_hP10_156_c_2a_4b_2a_b:Mg-Mo-S-Se-W,10.0,AB2C4D2E_hP10_156_c_2a_4b_2a_b:Mg-Mo-S-Se-W +mp-1028526,TeWS,-7.4203660325,-0.6744040358000001,0.0961811825,0.0961811825,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:S-Te-W,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:S-Te-W +mp-1028690,TeWS,-7.4208412308,-0.6748792341000001,0.0957059842,0.0957059842,GGA,P3m1,ABC_hP12_156_4a_4b_2a2b:S-Te-W,12.0,ABC_hP12_156_4a_4b_2a2b:S-Te-W +mp-1023931,TeWS,-7.42024511,-0.6742831133,0.096302105,0.096302105,GGA,P3m1,ABC_hP6_156_2a_2b_ab:S-Te-W,6.0,ABC_hP6_156_2a_2b_ab:S-Te-W +mp-1028604,TeWS,-7.4206701083,-0.6747081116,0.0958771067,0.0958771067,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:S-Te-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:S-Te-W, expected Te2W3S2 to be TeWS" +mp-1028761,TeWS,-7.4208437367,-0.6748817399,0.0957034783,0.0957034783,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:S-Te-W,12.0,"Invalid WP multiplicities - ABC_hP12_164_2d_2d_3d:S-Te-W, expected Te2W3S2 to be TeWS" +mp-2218435,MgMo2(WS4)2,-7.3669866454,-1.0362605173,0.175839985,0.175839985,GGA,Cm,AB2C8D2_mC26_8_a_2a_8a_2a:Mg-Mo-S-W,13.0,AB2C8D2_mC26_8_a_2a_8a_2a:Mg-Mo-S-W +mp-2218607,MgMo2(WS4)2,-7.3676007392,-1.0368746112,0.1752258912,0.1752258912,GGA,Cm,AB2C8D2_mC26_8_a_2a_8a_2a:Mg-Mo-S-W,13.0,AB2C8D2_mC26_8_a_2a_8a_2a:Mg-Mo-S-W +mp-2218810,MgMo2(WS4)2,-7.3842693631,-1.053543235,0.1585572673,0.1585572673,GGA,P3m1,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W,13.0,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W +mp-2218362,MgMo2(WS4)2,-7.3838260615,-1.0530999335,0.1590005688,0.1590005688,GGA,P3m1,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W,13.0,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W +mp-2218725,MgMo2(WS4)2,-7.3842792231,-1.053553095,0.1585474073,0.1585474073,GGA,P3m1,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W,13.0,AB2C8D2_hP13_156_c_2a_4a4b_2b:Mg-Mo-S-W +mp-2218580,MgMo2(WS4)2,-7.3842946462,-1.0535685181,0.1585319842,0.1585319842,GGA,P3m1,AB2C8D2_hP13_156_c_ab_4a4b_ab:Mg-Mo-S-W,13.0,AB2C8D2_hP13_156_c_ab_4a4b_ab:Mg-Mo-S-W +mp-2218625,MgMo2(WS4)2,-7.39113633,-1.0604102019,0.1516903004,0.1516903004,GGA,P3m1,AB2C8D2_hP13_156_a_ab_4a4b_ab:Mg-Mo-S-W,13.0,AB2C8D2_hP13_156_a_ab_4a4b_ab:Mg-Mo-S-W +mp-2218457,MgMo2(WS4)2,-7.3794354077,-1.0487092796,0.1633912227,0.1633912227,GGA,P-3m1,AB2C8D2_hP13_164_a_d_4d_d:Mg-Mo-S-W,13.0,"Invalid WP multiplicities - AB2C8D2_hP13_164_a_d_6d_d:Mg-Mo-S-W, expected MgMo2(WS6)2 to be MgMo2(WS4)2" +mp-2225564,MgMo2(SeS)2,-6.4094159871,-0.9013727073,0.2587130121,0.2587130121,GGA,Cm,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-Mo-S-Se,7.0,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-Mo-S-Se +mp-2227422,MgMo2(SeS)2,-5.3203819114,0.1876613684,1.3477470879,1.3477470879,GGA,Amm2,AB2C2D2_oC14_38_a_ab_c_c:Mg-Mo-S-Se,7.0,AB2C2D2_oC14_38_a_ab_c_c:Mg-Mo-S-Se +mp-1028468,TeW2SeS2,-7.5634924508,-0.7587628567,0.1330752321,0.1330752321,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W +mp-1028542,TeW2SeS2,-7.5647970175,-0.7600674234,0.1317706654,0.1317706654,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W +mp-1028669,TeW2SeS2,-7.5641395317,-0.7594099375000001,0.1324281513,0.1324281513,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W +mp-1028710,TeW2SeS2,-7.5638970558,-0.7591674617,0.1326706271,0.1326706271,GGA,P3m1,A2BCD2_hP12_156_4b_2a_2a_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_4b_2a_2a_2a2b:S-Se-Te-W +mp-1028757,TeW2SeS2,-7.5641542033,-0.7594246092,0.1324134796,0.1324134796,GGA,P3m1,A2BCD2_hP12_156_4b_2a_2a_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_4b_2a_2a_2a2b:S-Se-Te-W +mp-1028793,TeW2SeS2,-7.563095805,-0.7583662109,0.1334718779,0.1334718779,GGA,P3m1,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W,12.0,A2BCD2_hP12_156_2a2b_2a_2b_2a2b:S-Se-Te-W +mp-2218373,MgMoW3(Se3S)2,-7.0312844338,-0.8336929377000001,0.2489329244,0.2489329244,GGA,Cm,ABC2D6E3_mC26_8_a_a_2a_6a_3a:Mg-Mo-S-Se-W,13.0,ABC2D6E3_mC26_8_a_a_2a_6a_3a:Mg-Mo-S-Se-W +mp-2218488,MgMoW3(Se3S)2,-7.0501343062,-0.85254281,0.2300830521,0.2300830521,GGA,P3m1,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W,13.0,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W +mp-2218334,MgMoW3(Se3S)2,-7.0464895831,-0.8488980869,0.2337277752,0.2337277752,GGA,P3m1,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W,13.0,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W +mp-2218702,MgMoW3(Se3S)2,-7.0499705692,-0.8523790731,0.230246789,0.230246789,GGA,P3m1,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W,13.0,ABC2D6E3_hP13_156_c_a_2a_2a4b_a2b:Mg-Mo-S-Se-W +mp-1028576,Te8MoW3,-6.6494632375,-0.4105892419,0.0189869842,0.0189869842,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-Te-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-Te-W +mp-1030108,Te8MoW3,-6.649550345,-0.4106763494,0.0188998767,0.0188998767,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-Te-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-Te-W +mp-1028683,TeW2Se2S,-7.3994421525,-0.7014689566,0.1199293925,0.1199293925,GGA,P3m1,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W +mp-1028704,TeW2Se2S,-7.3996477525,-0.7016745566,0.1197237925,0.1197237925,GGA,P3m1,AB2CD2_hP12_156_2a_4b_2a_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_4b_2a_2a2b:S-Se-Te-W +mp-1028729,TeW2Se2S,-7.3999472342,-0.7019740382,0.1194243108,0.1194243108,GGA,P3m1,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W +mp-1028743,TeW2Se2S,-7.3997266483,-0.7017534524,0.1196448967,0.1196448967,GGA,P3m1,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W +mp-1028821,TeW2Se2S,-7.4008659908,-0.7028927949,0.1185055542,0.1185055542,GGA,P3m1,AB2CD2_hP12_156_2a_4b_2a_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_4b_2a_2a2b:S-Se-Te-W +mp-1028887,TeW2Se2S,-7.3996206417,-0.7016474457,0.1197509033,0.1197509033,GGA,P3m1,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W,12.0,AB2CD2_hP12_156_2a_2a2b_2b_2a2b:S-Se-Te-W +mp-1026933,TeMo2SeS2,-7.0353420867,-0.9347725325,0.0521114633,0.0521114633,GGA,P3m1,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te +mp-1027471,TeMo2SeS2,-7.0352646042,-0.93469505,0.0521889458,0.0521889458,GGA,P3m1,A2B2CD_hP12_156_2a2b_4b_2a_2a:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_4b_2a_2a:Mo-S-Se-Te +mp-1027550,TeMo2SeS2,-7.0351605892,-0.934591035,0.0522929608,0.0522929608,GGA,P3m1,A2B2CD_hP12_156_2a2b_4b_2a_2a:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_4b_2a_2a:Mo-S-Se-Te +mp-1027579,TeMo2SeS2,-7.0356856233,-0.9351160692,0.0517679267,0.0517679267,GGA,P3m1,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te +mp-1027627,TeMo2SeS2,-7.0340422017,-0.9334726475,0.0534113483,0.0534113483,GGA,P3m1,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te +mp-1027765,TeMo2SeS2,-7.0354039983,-0.9348344442,0.0520495517,0.0520495517,GGA,P3m1,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te,12.0,A2B2CD_hP12_156_2a2b_2a2b_2a_2b:Mo-S-Se-Te +mp-1025937,Te4Mo3S2,-6.6321217978,-0.7006691714000001,0.0709859356,0.0709859356,GGA,P3m1,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-S-Te,9.0,A3B2C4_hP9_156_a2b_2a_2a2b:Mo-S-Te +mp-1025769,Te4Mo3S2,-6.6335306522,-0.7020780259,0.0695770811,0.0695770811,GGA,P-6m2,A3B2C4_hP9_187_ah_h_2g:Mo-S-Te,9.0,"Invalid WP multiplicities - A3B2C4_hP9_187_ah_h_3g:Mo-S-Te, expected Te6Mo3S2 to be Te4Mo3S2" +mp-1028520,Te4MoW3S4,-7.2943929842,-0.7244709974,0.0884904492,0.0884904492,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1028622,Te4MoW3S4,-7.258416635,-0.6884946483000001,0.1244667983,0.1244667983,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1026978,Te4MoW3S4,-7.2586240358,-0.6887020491,0.1242593975,0.1242593975,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1028812,Te4MoW3S4,-7.2588332333,-0.6889112466,0.1240502,0.1240502,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Te-W +mp-1027169,Te4MoW3S4,-7.2582893608,-0.6883673741,0.1245940725,0.1245940725,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1027172,Te4MoW3S4,-7.2582344475,-0.6883124608,0.1246489858,0.1246489858,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-S-Te-W +mp-1028932,Te4MoW3S4,-7.29475325,-0.7248312633,0.0881301833,0.0881301833,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1028976,Te4MoW3S4,-7.2942577125,-0.7243357258,0.0886257208,0.0886257208,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Te-W +mp-1029139,Te4MoW3S4,-7.29428767,-0.7243656833000001,0.0885957633,0.0885957633,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1029166,Te4MoW3S4,-7.2583084225,-0.6883864358,0.1245750108,0.1245750108,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1029235,Te4MoW3S4,-7.29417282,-0.7242508333000001,0.0887106133,0.0887106133,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-S-Te-W +mp-1030153,Te4MoW3S4,-7.29452641,-0.7246044233000001,0.0883570233,0.0883570233,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-S-Te-W +mp-1025781,Te4Mo2WSe2,-6.63338842,-0.6095576446000001,0.0847239372,0.0847239372,GGA,P3m1,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-Se-Te-W,9.0,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-Se-Te-W +mp-1025626,Te4Mo2WSe2,-6.63379224,-0.6099614646,0.0843201172,0.0843201172,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-Se-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-Se-Te-W +mp-1025664,Te4Mo2WSe2,-6.6588823089,-0.6350515335,0.0592300483,0.0592300483,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-Se-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-Se-Te-W +mp-1025752,Te4Mo2WSe2,-6.6341469111,-0.6103161357,0.0839654461,0.0839654461,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-Se-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-Se-Te-W +mp-1025675,Te4Mo2WSe2,-6.6589398589,-0.6351090835000001,0.0591724983,0.0591724983,GGA,P-6m2,A2B2C4D_hP9_187_h_h_2g_a:Mo-Se-Te-W,9.0,"Invalid WP multiplicities - A2B2C4D_hP9_187_h_h_3g_a:Mo-Se-Te-W, expected Te6Mo2WSe2 to be Te4Mo2WSe2" +mp-1025824,MoW2(SeS2)2,-7.7857077656,-1.0857596552,0.0428806072,0.0428806072,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Se-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Se-W +mp-1025919,MoW2(SeS2)2,-7.7628935978,-1.0629454875,0.065694775,0.065694775,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Se-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Se-W +mp-1025917,MoW2(SeS2)2,-7.7624655656,-1.0625174552,0.0661228072,0.0661228072,GGA,P3m1,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-S-Se-W,9.0,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-S-Se-W +mp-1025716,MoW2(SeS2)2,-7.7630233678,-1.0630752575,0.065565005,0.065565005,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-S-Se-W,9.0,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-S-Se-W +mp-1025663,MoW2(SeS2)2,-7.7852314122,-1.0852833019,0.0433569606,0.0433569606,GGA,P-6m2,AB4C2D2_hP9_187_a_2g_h_h:Mo-S-Se-W,9.0,"Invalid WP multiplicities - AB4C2D2_hP9_187_a_3g_h_h:Mo-S-Se-W, expected MoW2(SeS3)2 to be MoW2(SeS2)2" +mp-1028541,MoWSe3S,-7.3942441125,-0.9895833392,0.0954979379,0.0954979379,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1026974,MoWSe3S,-7.3774584475,-0.9727976742,0.1122836029,0.1122836029,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1027139,MoWSe3S,-7.3771921217,-0.9725313484,0.1125499288,0.1125499288,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1027141,MoWSe3S,-7.377248955,-0.9725881817,0.1124930954,0.1124930954,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Se-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Se-W +mp-1028857,MoWSe3S,-7.3775870783,-0.972926305,0.1121549721,0.1121549721,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1028998,MoWSe3S,-7.3937699983,-0.989109225,0.0959720521,0.0959720521,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1030522,MoWSe3S,-7.3935963692,-0.9889355959,0.0961456813,0.0961456813,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Se-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Se-W +mp-1030535,MoWSe3S,-7.377085,-0.9724242267,0.1126570504,0.1126570504,GGA,P3m1,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Se-W,12.0,ABC3D_hP12_156_2b_2a_2a4b_2a:Mo-S-Se-W +mp-1030513,MoWSe3S,-7.3939972375,-0.9893364642,0.0957448129,0.0957448129,GGA,P3m1,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Se-W,12.0,ABC3D_hP12_156_2a_2a_2a4b_2b:Mo-S-Se-W +mp-1030519,MoWSe3S,-7.393988495,-0.9893277217,0.0957535554,0.0957535554,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1027474,MoWSe3S,-7.3771765767,-0.9725158034,0.1125654738,0.1125654738,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1027672,MoWSe3S,-7.3941016525,-0.9894408792,0.0956403979,0.0956403979,GGA,P3m1,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W,12.0,ABC3D_hP12_156_ab_2a_2a4b_ab:Mo-S-Se-W +mp-1025922,Mo2WS6,-7.7911541522,-1.183584191,0.0021096211,0.0021096211,GGA,P3m1,A2B6C_hP9_156_ab_2a4b_a:Mo-S-W,9.0,A2B6C_hP9_156_ab_2a4b_a:Mo-S-W +mp-1025911,Mo2WS6,-7.7910838167,-1.1835138554,0.0021799567,0.0021799567,GGA,P-6m2,A2B6C_hP9_187_h_2gh_a:Mo-S-W,9.0,"Invalid WP multiplicities - A2B6C_hP9_187_h_3g2h_a:Mo-S-W, expected Mo2WS10 to be Mo2WS6" +mp-1025806,Te2Mo(WS2)2,-7.455203906699999,-0.8336125929,0.1212693367,0.1212693367,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-S-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2a_2b:Mo-S-Te-W +mp-1025851,Te2Mo(WS2)2,-7.4546558922,-0.8330645784,0.1218173511,0.1218173511,GGA,P3m1,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-S-Te-W,9.0,AB4C2D2_hP9_156_a_4b_2a_ab:Mo-S-Te-W +mp-1025898,Te2Mo(WS2)2,-7.45453473,-0.8329434162,0.1219385133,0.1219385133,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Te-W +mp-1025648,Te2Mo(WS2)2,-7.5044342011,-0.8828428873,0.0720390422,0.0720390422,GGA,P3m1,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Te-W,9.0,AB4C2D2_hP9_156_a_2a2b_2b_ab:Mo-S-Te-W +mp-1025715,Te2Mo(WS2)2,-7.5041365022,-0.8825451884000001,0.0723367411,0.0723367411,GGA,P-6m2,AB4C2D2_hP9_187_a_2g_h_h:Mo-S-Te-W,9.0,"Invalid WP multiplicities - AB4C2D2_hP9_187_a_3g_h_h:Mo-S-Te-W, expected Te2Mo(WS3)2 to be Te2Mo(WS2)2" +mp-1025816,MoW2(Se2S)2,-7.5490422556,-0.9914360095,0.09601239,0.09601239,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Se-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Se-W +mp-1025870,MoW2(Se2S)2,-7.5267270611,-0.9691208151,0.1183275844,0.1183275844,GGA,P3m1,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Se-W,9.0,AB2C4D2_hP9_156_a_2b_2a2b_ab:Mo-S-Se-W +mp-1025656,MoW2(Se2S)2,-7.5490607833,-0.9914545373,0.0959938622,0.0959938622,GGA,P3m1,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-S-Se-W,9.0,AB2C4D2_hP9_156_a_2a_2a2b_2b:Mo-S-Se-W +mp-1025740,MoW2(Se2S)2,-7.5494948356,-0.9918885895,0.09555981,0.09555981,GGA,P3m1,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-S-Se-W,9.0,AB2C4D2_hP9_156_a_2a_4b_ab:Mo-S-Se-W +mp-1025589,MoW2(Se2S)2,-7.5273307567,-0.9697245106,0.1177238889,0.1177238889,GGA,P-6m2,AB2C4D2_hP9_187_a_h_2g_h:Mo-S-Se-W,9.0,"Invalid WP multiplicities - AB2C4D2_hP9_187_a_h_3g_h:Mo-S-Se-W, expected MoW2(Se3S)2 to be MoW2(Se2S)2" +mp-1027273,MoW3S8,-8.0646863342,-1.1637163563,0.0021503475,0.0021503475,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-S-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-S-W +mp-1029246,MoW3S8,-8.0647814425,-1.1638114646,0.0020552392,0.0020552392,GGA,P3m1,AB8C3_hP12_156_a_4a4b_a2b:Mo-S-W,12.0,AB8C3_hP12_156_a_4a4b_a2b:Mo-S-W +mp-1028467,MoW3(Se3S)2,-7.54084374,-0.9601429567,0.0734962129,0.0734962129,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W +mp-1028642,MoW3(Se3S)2,-7.5415429883,-0.960842205,0.0727969646,0.0727969646,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W +mp-1027096,MoW3(Se3S)2,-7.5242266208,-0.9435258375,0.0901133321,0.0901133321,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W +mp-1028922,MoW3(Se3S)2,-7.5248495025,-0.9441487192,0.0894904504,0.0894904504,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W +mp-1028952,MoW3(Se3S)2,-7.5410836417,-0.9603828584,0.0732563113,0.0732563113,GGA,P3m1,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2b_4a2b_a2b:Mo-S-Se-W +mp-1029043,MoW3(Se3S)2,-7.5408326883,-0.960131905,0.0735072646,0.0735072646,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W +mp-1030465,MoW3(Se3S)2,-7.5408113742,-0.9601105909,0.0735285788,0.0735285788,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W +mp-1030567,MoW3(Se3S)2,-7.5410743733,-0.96037359,0.0732655796,0.0732655796,GGA,P3m1,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W,12.0,AB2C6D3_hP12_156_a_2a_2a4b_a2b:Mo-S-Se-W +mp-1028607,Te4MoW3Se4,-6.9726623042,-0.6162531138,0.104440575,0.104440575,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1028653,Te4MoW3Se4,-6.992123415,-0.6357142247,0.0849794642,0.0849794642,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-Se-Te-W +mp-1028654,Te4MoW3Se4,-6.9916756642,-0.6352664738,0.085427215,0.085427215,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1028730,Te4MoW3Se4,-6.991804485,-0.6353952947,0.0852983942,0.0852983942,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1028768,Te4MoW3Se4,-6.9728331033,-0.616423913,0.1042697758,0.1042697758,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-Se-Te-W +mp-1028851,Te4MoW3Se4,-6.9723460083,-0.615936818,0.1047568708,0.1047568708,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1029101,Te4MoW3Se4,-6.9726601342,-0.6162509438,0.104442745,0.104442745,GGA,P3m1,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_4b_4a_a2b:Mo-Se-Te-W +mp-1029264,Te4MoW3Se4,-6.9925224558,-0.6361132655,0.0845804233,0.0845804233,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1030101,Te4MoW3Se4,-6.9923938125,-0.6359846222000001,0.0847090667,0.0847090667,GGA,P3m1,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_4a_4b_a2b:Mo-Se-Te-W +mp-1030120,Te4MoW3Se4,-6.9922752975,-0.6358661072,0.0848275817,0.0848275817,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1030158,Te4MoW3Se4,-6.9721928917,-0.6157837013,0.1049099875,0.1049099875,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-1030454,Te4MoW3Se4,-6.9721844058,-0.6157752155,0.1049184733,0.1049184733,GGA,P3m1,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W,12.0,AB4C4D3_hP12_156_a_2a2b_2a2b_a2b:Mo-Se-Te-W +mp-2219505,MgTe4Mo2(WS2)2,-6.6176163646,-0.5924729976,0.3220041565,0.3220041565,GGA,Cm,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W +mp-2218862,MgTe4Mo2(WS2)2,-6.6516143346,-0.6264709676,0.2880061865,0.2880061865,GGA,Cm,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W +mp-2219104,MgTe4Mo2(WS2)2,-6.6512129246,-0.6260695576,0.2884075965,0.2884075965,GGA,Cm,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_mC26_8_a_2a_4a_4a_2a:Mg-Mo-S-Te-W +mp-2219037,MgTe4Mo2(WS2)2,-6.6755398885,-0.6503965215,0.2640806327,0.2640806327,GGA,P3m1,AB2C4D4E2_hP13_156_c_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_c_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W +mp-2219040,MgTe4Mo2(WS2)2,-6.6566167585,-0.6314733915,0.2830037627,0.2830037627,GGA,P3m1,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W +mp-2219347,MgTe4Mo2(WS2)2,-6.6842339577,-0.6590905907,0.2553865635,0.2553865635,GGA,P3m1,AB2C4D4E2_hP13_156_a_2b_2a2b_2a2b_2a:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_a_2b_2a2b_2a2b_2a:Mg-Mo-S-Te-W +mp-2219444,MgTe4Mo2(WS2)2,-6.6840688538,-0.6589254869000001,0.2555516673,0.2555516673,GGA,P3m1,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W +mp-2219375,MgTe4Mo2(WS2)2,-6.6819180538000005,-0.6567746869000001,0.2577024673,0.2577024673,GGA,P3m1,AB2C4D4E2_hP13_156_a_2a_2a2b_2a2b_2b:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_a_2a_2a2b_2a2b_2b:Mg-Mo-S-Te-W +mp-2218864,MgTe4Mo2(WS2)2,-6.6744721608,-0.6493287938,0.2651483604,0.2651483604,GGA,P3m1,AB2C4D4E2_hP13_156_c_2a_2a2b_2a2b_2b:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_c_2a_2a2b_2a2b_2b:Mg-Mo-S-Te-W +mp-2219238,MgTe4Mo2(WS2)2,-6.6393385846,-0.6141952176000001,0.3002819365,0.3002819365,GGA,P3m1,AB2C4D4E2_hP13_156_c_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_c_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W +mp-2219047,MgTe4Mo2(WS2)2,-6.6828928277,-0.6577494607000001,0.2567276935,0.2567276935,GGA,P3m1,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_156_a_ab_2a2b_2a2b_ab:Mg-Mo-S-Te-W +mp-2219005,MgTe4Mo2(WS2)2,-6.6415464069,-0.6164030399,0.2980741142,0.2980741142,GGA,P-3m1,AB2C4D4E2_hP13_164_a_d_2d_2d_d:Mg-Mo-S-Te-W,13.0,AB2C4D4E2_hP13_164_a_d_2d_2d_d:Mg-Mo-S-Te-W +mp-1025891,Te4Mo2WS2,-6.8009360078,-0.6347633681,0.1210300522,0.1210300522,GGA,P3m1,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-S-Te-W,9.0,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-S-Te-W +mp-1025910,Te4Mo2WS2,-6.8009209911,-0.6347483514000001,0.1210450689,0.1210450689,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Te-W +mp-1025657,Te4Mo2WS2,-6.8472941856,-0.6811215459000001,0.0746718744,0.0746718744,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Te-W +mp-1025743,Te4Mo2WS2,-6.80180203,-0.6356293903,0.12016403,0.12016403,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-S-Te-W,9.0,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-S-Te-W +mp-1025654,Te4Mo2WS2,-6.84764782,-0.6814751803,0.07431824,0.07431824,GGA,P-6m2,A2B2C4D_hP9_187_h_h_2g_a:Mo-S-Te-W,9.0,"Invalid WP multiplicities - A2B2C4D_hP9_187_h_h_3g_a:Mo-S-Te-W, expected Te6Mo2WS2 to be Te4Mo2WS2" +mp-1027894,Mo3W(SeS)4,-7.3881682833,-1.0527911218,0.0750803175,0.0750803175,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1026909,Mo3W(SeS)4,-7.387496845,-1.0521196835,0.0757517558,0.0757517558,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1026927,Mo3W(SeS)4,-7.40430039,-1.0689232285,0.0589482108,0.0589482108,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1027051,Mo3W(SeS)4,-7.4043843425,-1.069007181,0.0588642583,0.0588642583,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Se-W +mp-1027129,Mo3W(SeS)4,-7.3872246467,-1.0518474852,0.0760239542,0.0760239542,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Se-W +mp-1027267,Mo3W(SeS)4,-7.4037903908,-1.0684132293,0.05945821,0.05945821,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1027409,Mo3W(SeS)4,-7.3867411475,-1.051363986,0.0765074533,0.0765074533,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1080163,Mo3W(SeS)4,-7.386463395,-1.0510862335,0.0767852058,0.0767852058,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1027473,Mo3W(SeS)4,-7.38724453,-1.0518673685,0.0760040708,0.0760040708,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-S-Se-W +mp-1027524,Mo3W(SeS)4,-7.4039978492,-1.0686206877,0.0592507517,0.0592507517,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-S-Se-W +mp-1027551,Mo3W(SeS)4,-7.4036640592,-1.0682868977,0.0595845417,0.0595845417,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1027714,Mo3W(SeS)4,-7.4039308342,-1.0685536727,0.0593177667,0.0593177667,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-S-Se-W +mp-1027801,TeMo2Se2S,-6.88756365,-0.8937504941000001,0.0396746458,0.0396746458,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te +mp-1026958,TeMo2Se2S,-6.8871562783,-0.8933431224,0.0400820175,0.0400820175,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te +mp-1026979,TeMo2Se2S,-6.8869686742,-0.8931555182,0.0402696217,0.0402696217,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_4b_2a:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_4b_2a:Mo-S-Se-Te +mp-1027448,TeMo2Se2S,-6.8870848817,-0.8932717257,0.0401534142,0.0401534142,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te +mp-1027547,TeMo2Se2S,-6.8867979058,-0.8929847499,0.04044039,0.04044039,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_2a2b_2b:Mo-S-Se-Te +mp-1027576,TeMo2Se2S,-6.8877853583,-0.8939722024000001,0.0394529375,0.0394529375,GGA,P3m1,A2BC2D_hP12_156_2a2b_2a_4b_2a:Mo-S-Se-Te,12.0,A2BC2D_hP12_156_2a2b_2a_4b_2a:Mo-S-Se-Te +mp-2223700,MgMo3(SeS2)2,-6.708396019,-0.9409107387,0.2316159145,0.2316159145,GGA,P1,AB3C4D2_aP10_1_a_3a_4a_2a:Mg-Mo-S-Se,10.0,AB3C4D2_aP10_1_a_3a_4a_2a:Mg-Mo-S-Se +mp-2223043,MgMo3(SeS2)2,-6.745934925,-0.9784496447,0.1940770085,0.1940770085,GGA,P3m1,AB3C4D2_hP10_156_a_a2b_4a_2b:Mg-Mo-S-Se,10.0,AB3C4D2_hP10_156_a_a2b_4a_2b:Mg-Mo-S-Se +mp-2227477,MgMo3(SeS2)2,-6.735613502,-0.9681282217,0.2043984315,0.2043984315,GGA,P3m1,AB3C4D2_hP10_156_c_2ab_4b_2a:Mg-Mo-S-Se,10.0,AB3C4D2_hP10_156_c_2ab_4b_2a:Mg-Mo-S-Se +mp-2239875,MgMo3(SeS2)2,-6.742160834,-0.9746755537,0.1978510995,0.1978510995,GGA,P3m1,AB3C4D2_hP10_156_a_2ab_4b_2a:Mg-Mo-S-Se,10.0,AB3C4D2_hP10_156_a_2ab_4b_2a:Mg-Mo-S-Se +mp-2219824,MgTe2Mo3W(Se2S)2,-6.5616959246,-0.7433483830000001,0.2729495765,0.2729495765,GGA,P1,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W +mp-2218920,MgTe2Mo3W(Se2S)2,-6.5754265423,-0.7570790007,0.2592189588,0.2592189588,GGA,P1,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W +mp-2242272,MgTe2Mo3W(Se2S)2,-6.5616193038,-0.7432717622,0.2730261973,0.2730261973,GGA,P1,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_aP13_1_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W +mp-2219437,MgTe2Mo3W(Se2S)2,-6.5616922892,-0.7433447476,0.2729532119,0.2729532119,GGA,Cm,AB3C2D4E2F_mC26_8_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_mC26_8_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W +mp-2219077,MgTe2Mo3W(Se2S)2,-6.5423161931,-0.7239686515,0.2923293081,0.2923293081,GGA,Cm,AB3C2D4E2F_mC26_8_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_mC26_8_a_3a_2a_4a_2a_a:Mg-Mo-S-Se-Te-W +mp-2219434,MgTe2Mo3W(Se2S)2,-6.5853101723,-0.7669626307,0.2493353288,0.2493353288,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2a_4b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2a_4b_2a_a:Mg-Mo-S-Se-Te-W +mp-2219091,MgTe2Mo3W(Se2S)2,-6.5853123485000005,-0.7669648068,0.2493331527,0.2493331527,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2219440,MgTe2Mo3W(Se2S)2,-6.5827776992,-0.7644301576,0.2518678019,0.2518678019,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W +mp-2218978,MgTe2Mo3W(Se2S)2,-6.5847474331,-0.7663998915,0.2498980681,0.2498980681,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W +mp-2218984,MgTe2Mo3W(Se2S)2,-6.5975556585,-0.7792081168,0.2370898427,0.2370898427,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2218936,MgTe2Mo3W(Se2S)2,-6.5856987308,-0.7673511892,0.2489467704,0.2489467704,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2219151,MgTe2Mo3W(Se2S)2,-6.5806345177,-0.7622869761000001,0.2540109835,0.2540109835,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2a_2a2b_2b_a:Mg-Mo-S-Se-Te-W +mp-2219481,MgTe2Mo3W(Se2S)2,-6.5660926938,-0.7477451522,0.2685528073,0.2685528073,GGA,P3m1,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W +mp-2219054,MgTe2Mo3W(Se2S)2,-6.5963078908,-0.7779603492,0.2383376104,0.2383376104,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2219031,MgTe2Mo3W(Se2S)2,-6.5423807092,-0.7240331676,0.2922647919,0.2922647919,GGA,P3m1,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W +mp-2227504,MgTe2Mo3W(Se2S)2,-6.5961966123,-0.7778490707,0.2384488888,0.2384488888,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2227826,MgTe2Mo3W(Se2S)2,-6.5802483408,-0.7619007992,0.2543971604,0.2543971604,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2b_2a2b_2a_a:Mg-Mo-S-Se-Te-W +mp-2227275,MgTe2Mo3W(Se2S)2,-6.5667491408,-0.7484015992,0.2678963604,0.2678963604,GGA,P3m1,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_2ab_2a_4b_2a_b:Mg-Mo-S-Se-Te-W +mp-2227130,MgTe2Mo3W(Se2S)2,-6.5829766508,-0.7646291092,0.2516688504,0.2516688504,GGA,P3m1,AB3C2D4E2F_hP13_156_c_a2b_2a_4b_2a_a:Mg-Mo-S-Se-Te-W,13.0,AB3C2D4E2F_hP13_156_c_a2b_2a_4b_2a_a:Mg-Mo-S-Se-Te-W +mp-1026972,Te4Mo3W(SeS)2,-6.829900485,-0.7188149165000001,0.1175251263,0.1175251263,GGA,P3m1,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W,12.0,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W +mp-1027053,Te4Mo3W(SeS)2,-6.8310910642,-0.7200054956,0.1163345471,0.1163345471,GGA,P3m1,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W,12.0,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W +mp-1027080,Te4Mo3W(SeS)2,-6.8311181958,-0.7200326273000001,0.1163074154,0.1163074154,GGA,P3m1,A3B2C2D4E_hP12_156_a2b_2a_2a_4b_a:Mo-S-Se-Te-W,12.0,A3B2C2D4E_hP12_156_a2b_2a_2a_4b_a:Mo-S-Se-Te-W +mp-1027133,Te4Mo3W(SeS)2,-6.8314645125,-0.720378944,0.1159610987,0.1159610987,GGA,P3m1,A3B2C2D4E_hP12_156_a2b_2b_2a_2a2b_a:Mo-S-Se-Te-W,12.0,A3B2C2D4E_hP12_156_a2b_2b_2a_2a2b_a:Mo-S-Se-Te-W +mp-1027168,Te4Mo3W(SeS)2,-6.8510379833,-0.7399524148000001,0.0963876279,0.0963876279,GGA,P3m1,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W,12.0,A3B2C2D4E_hP12_156_a2b_2a_2b_2a2b_a:Mo-S-Se-Te-W 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+mp-1080237,Te4MoW3(SeS)2,-7.103421535,-0.6402559465000001,0.1265716213,0.1265716213,GGA,P3m1,AB2C2D4E3_hP12_156_a_2b_2a_2a2b_a2b:Mo-S-Se-Te-W,12.0,AB2C2D4E3_hP12_156_a_2b_2a_2a2b_a2b:Mo-S-Se-Te-W +mp-1029306,Te4MoW3(SeS)2,-7.1396440408,-0.6764784523,0.0903491154,0.0903491154,GGA,P3m1,AB2C2D4E3_hP12_156_a_2b_2a_2a2b_a2b:Mo-S-Se-Te-W,12.0,AB2C2D4E3_hP12_156_a_2b_2a_2a2b_a2b:Mo-S-Se-Te-W +mp-2218965,MgTe2Mo2W2(Se2S)2,-6.7114611131,-0.7306151007,0.2756388404,0.2756388404,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_mC26_8_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219301,MgTe2Mo2W2(Se2S)2,-6.6919265731,-0.7110805607,0.2951733804,0.2951733804,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219162,MgTe2Mo2W2(Se2S)2,-6.7111699831,-0.7303239707,0.2759299704,0.2759299704,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219184,MgTe2Mo2W2(Se2S)2,-6.6967823169,-0.7159363045,0.2903176365,0.2903176365,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219223,MgTe2Mo2W2(Se2S)2,-6.7113465738,-0.7305005615,0.2757533796,0.2757533796,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219262,MgTe2Mo2W2(Se2S)2,-6.7112019331,-0.7303559207,0.2758980204,0.2758980204,GGA,P1,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_aP13_1_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219736,MgTe2Mo2W2(Se2S)2,-6.6971152085,-0.7162691961000001,0.289984745,0.289984745,GGA,Cm,AB2C2D4E2F2_mC26_8_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_mC26_8_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219461,MgTe2Mo2W2(Se2S)2,-6.7114111523,-0.7305651399,0.2756888012,0.2756888012,GGA,Cm,AB2C2D4E2F2_mC26_8_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_mC26_8_a_2a_2a_4a_2a_2a:Mg-Mo-S-Se-Te-W +mp-2219110,MgTe2Mo2W2(Se2S)2,-6.7185331354,-0.7376871230000001,0.2685668181,0.2685668181,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2b_2a_4b_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2b_2a_4b_2a_2a:Mg-Mo-S-Se-Te-W +mp-2218955,MgTe2Mo2W2(Se2S)2,-6.7184392508,-0.7375932384,0.2686607027,0.2686607027,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2b_2a_4b_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2b_2a_4b_2a_2a:Mg-Mo-S-Se-Te-W +mp-2218873,MgTe2Mo2W2(Se2S)2,-6.7320027338,-0.7511567215,0.2550972196,0.2550972196,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W +mp-2219504,MgTe2Mo2W2(Se2S)2,-6.7321792046,-0.7513331922,0.2549207488,0.2549207488,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2219280,MgTe2Mo2W2(Se2S)2,-6.7285998646,-0.7477538522,0.2585000888,0.2585000888,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2218970,MgTe2Mo2W2(Se2S)2,-6.7208078277,-0.7399618153,0.2662921258,0.2662921258,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2219287,MgTe2Mo2W2(Se2S)2,-6.7188123554,-0.7379663430000001,0.2682875981,0.2682875981,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2218820,MgTe2Mo2W2(Se2S)2,-6.7307878815,-0.7499418692,0.2563120719,0.2563120719,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2219676,MgTe2Mo2W2(Se2S)2,-6.7114823523,-0.7306363399,0.2756176012,0.2756176012,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2219147,MgTe2Mo2W2(Se2S)2,-6.7271475554,-0.7463015430000001,0.2599523981,0.2599523981,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2219515,MgTe2Mo2W2(Se2S)2,-6.7319457515,-0.7510997392000001,0.2551542019,0.2551542019,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W +mp-2219018,MgTe2Mo2W2(Se2S)2,-6.7224929008,-0.7416468884,0.2646070527,0.2646070527,GGA,P3m1,AB2C2D4E2F2_hP13_156_a_2a_2b_4a_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_a_2a_2b_4a_2b_2b:Mg-Mo-S-Se-Te-W +mp-2219160,MgTe2Mo2W2(Se2S)2,-6.7333608492,-0.7525148368,0.2537391042,0.2537391042,GGA,P3m1,AB2C2D4E2F2_hP13_156_a_ab_2b_2a2b_2a_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_a_ab_2b_2a2b_2a_ab:Mg-Mo-S-Se-Te-W +mp-2219265,MgTe2Mo2W2(Se2S)2,-6.7103478715,-0.7295018592,0.2767520819,0.2767520819,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2218881,MgTe2Mo2W2(Se2S)2,-6.7136972046,-0.7328511922000001,0.2734027488,0.2734027488,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2218896,MgTe2Mo2W2(Se2S)2,-6.7274455662,-0.7465995538,0.2596543873,0.2596543873,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_4b_2a_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_4b_2a_ab:Mg-Mo-S-Se-Te-W +mp-2219219,MgTe2Mo2W2(Se2S)2,-6.7307793462,-0.7499333338,0.2563206073,0.2563206073,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W +mp-2218919,MgTe2Mo2W2(Se2S)2,-6.7371770546,-0.7563310422,0.2499228988,0.2499228988,GGA,P3m1,AB2C2D4E2F2_hP13_156_a_2b_2b_2a2b_2a_2a:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_a_2b_2b_2a2b_2a_2a:Mg-Mo-S-Se-Te-W +mp-2226953,MgTe2Mo2W2(Se2S)2,-6.7322433108,-0.7513972984,0.2548566427,0.2548566427,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_4b_2a_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_4b_2a_ab:Mg-Mo-S-Se-Te-W +mp-2219100,MgTe2Mo2W2(Se2S)2,-6.7303166131,-0.7494706007,0.2567833404,0.2567833404,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W +mp-2227534,MgTe2Mo2W2(Se2S)2,-6.7120714285,-0.7312254161,0.275028525,0.275028525,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-2227454,MgTe2Mo2W2(Se2S)2,-6.7321024931,-0.7512564807000001,0.2549974604,0.2549974604,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_2a_2a_2a2b_2b_2b:Mg-Mo-S-Se-Te-W +mp-2242293,MgTe2Mo2W2(Se2S)2,-6.7302064169,-0.7493604045000001,0.2568935365,0.2568935365,GGA,P3m1,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W,13.0,AB2C2D4E2F2_hP13_156_c_ab_2a_2a2b_2b_ab:Mg-Mo-S-Se-Te-W +mp-1025678,Te6MoW2,-6.6065805089000005,-0.4263865167,0.0173151189,0.0173151189,GGA,P3m1,AB6C2_hP9_156_a_2a4b_ab:Mo-Te-W,9.0,AB6C2_hP9_156_a_2a4b_ab:Mo-Te-W +mp-1026351,Te6MoW2,-6.6067315189,-0.4265375267,0.0171641089,0.0171641089,GGA,P-6m2,AB6C2_hP9_187_a_2gh_h:Mo-Te-W,9.0,"Invalid WP multiplicities - AB6C2_hP9_187_a_3g2h_h:Mo-Te-W, expected Te10MoW2 to be Te6MoW2" +mp-1029161,Te4Mo3WSe4,-6.7189249733,-0.714595803,0.0908503425,0.0908503425,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030156,Te4Mo3WSe4,-6.6994937942,-0.6951646238,0.1102815217,0.1102815217,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-Se-Te-W +mp-1030334,Te4Mo3WSe4,-6.7184840558,-0.7141548855000001,0.09129126,0.09129126,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030408,Te4Mo3WSe4,-6.6992062567,-0.6948770863,0.1105690592,0.1105690592,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030449,Te4Mo3WSe4,-6.718942845,-0.7146136747,0.0908324708,0.0908324708,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-Se-Te-W +mp-1030573,Te4Mo3WSe4,-6.7183026158,-0.7139734455000001,0.0914726999999999,0.0914726999999999,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030616,Te4Mo3WSe4,-6.6986746208,-0.6943454505000001,0.111100695,0.111100695,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030615,Te4Mo3WSe4,-6.7187265975,-0.7143974272,0.0910487183,0.0910487183,GGA,P3m1,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_4b_4a_a:Mo-Se-Te-W +mp-1028422,Te4Mo3WSe4,-6.698812245,-0.6944830747,0.1109630708,0.1109630708,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1080175,Te4Mo3WSe4,-6.7184685858,-0.7141394155,0.09130673,0.09130673,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1027663,Te4Mo3WSe4,-6.6989819775,-0.6946528072,0.1107933383,0.1107933383,GGA,P3m1,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_2a2b_2a2b_a:Mo-Se-Te-W +mp-1030736,Te4Mo3WSe4,-6.6992785617,-0.6949493913,0.1104967542,0.1104967542,GGA,P3m1,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-Se-Te-W,12.0,A3B4C4D_hP12_156_a2b_4a_4b_a:Mo-Se-Te-W +mp-1025841,Mo2W(Se2S)2,-7.3312609233,-1.0083746906,0.0949353956,0.0949353956,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-S-Se-W,9.0,A2B2C4D_hP9_156_ab_2a_4b_a:Mo-S-Se-W +mp-1025866,Mo2W(Se2S)2,-7.3306713133,-1.0077850806,0.0955250056,0.0955250056,GGA,P3m1,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-S-Se-W,9.0,A2B2C4D_hP9_156_2b_2a_2a2b_a:Mo-S-Se-W +mp-1025879,Mo2W(Se2S)2,-7.3529911322,-1.0301048995,0.0732051867,0.0732051867,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Se-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Se-W +mp-1025946,Mo2W(Se2S)2,-7.3307134711,-1.0078272384,0.0954828478,0.0954828478,GGA,P3m1,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Se-W,9.0,A2B2C4D_hP9_156_ab_2a_2a2b_b:Mo-S-Se-W +mp-1025748,Mo2W(Se2S)2,-7.3533284867,-1.030442254,0.0728678322,0.0728678322,GGA,P-6m2,A2B2C4D_hP9_187_h_h_2g_a:Mo-S-Se-W,9.0,"Invalid WP multiplicities - A2B2C4D_hP9_187_h_h_3g_a:Mo-S-Se-W, expected Mo2W(Se3S)2 to be Mo2W(Se2S)2" +mp-1027931,Te6Mo3WS2,-6.6615412508,-0.6092232797,0.0967980133,0.0967980133,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W +mp-1027152,Te6Mo3WS2,-6.6614620225,-0.6091440514,0.0968772417,0.0968772417,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W +mp-1027408,Te6Mo3WS2,-6.66120357,-0.6088855989,0.0971356942,0.0971356942,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W +mp-1030281,Te6Mo3WS2,-6.6615546375,-0.6092366664000001,0.0967846267,0.0967846267,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W +mp-1030337,Te6Mo3WS2,-6.6951863067,-0.6428683355,0.0631529575,0.0631529575,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W +mp-1030333,Te6Mo3WS2,-6.6632625342,-0.610944563,0.09507673,0.09507673,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W +mp-1030373,Te6Mo3WS2,-6.6636707633,-0.6113527922,0.0946685008,0.0946685008,GGA,P3m1,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_a2b_2a_2a4b_a:Mo-S-Te-W +mp-1030340,Te6Mo3WS2,-6.6952264942,-0.642908523,0.06311277,0.06311277,GGA,P3m1,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W,12.0,A3B2C6D_hP12_156_2ab_2a_2a4b_b:Mo-S-Te-W +mp-1028471,Te2MoWSeS,-6.9578686842,-0.6707431056000001,0.1384606904,0.1384606904,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1026912,Te2MoWSeS,-6.9769693425,-0.689843764,0.1193600321,0.1193600321,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1027015,Te2MoWSeS,-6.9564192,-0.6692936215,0.1399101746,0.1399101746,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1027072,Te2MoWSeS,-6.9781922942,-0.6910667156,0.1181370804,0.1181370804,GGA,P3m1,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W +mp-1027074,Te2MoWSeS,-6.9774528892,-0.6903273106000001,0.1188764854,0.1188764854,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1028854,Te2MoWSeS,-6.9775219133,-0.6903963348000001,0.1188074613,0.1188074613,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1027170,Te2MoWSeS,-6.9831050992,-0.6959795206,0.1132242754,0.1132242754,GGA,P3m1,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W +mp-1028919,Te2MoWSeS,-6.9781914567,-0.6910658781,0.1181379179,0.1181379179,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1028938,Te2MoWSeS,-6.9909480858,-0.7038225073000001,0.1053812888,0.1053812888,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1027311,Te2MoWSeS,-6.9773415983,-0.6902160198,0.1189877763,0.1189877763,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1029015,Te2MoWSeS,-6.9915997933,-0.7044742148,0.1047295813,0.1047295813,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1029021,Te2MoWSeS,-7.0122732742,-0.7251476956,0.0840561004,0.0840561004,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1027372,Te2MoWSeS,-6.9775621067,-0.6904365281,0.1187672679,0.1187672679,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1029121,Te2MoWSeS,-7.0123698342,-0.7252442556,0.0839595404,0.0839595404,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2a_4b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2a_4b_2b:Mo-S-Se-Te-W +mp-1029154,Te2MoWSeS,-6.9922226917,-0.7050971131,0.1041066829,0.1041066829,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1029148,Te2MoWSeS,-6.9926664033,-0.7055408248,0.1036629713,0.1036629713,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1029213,Te2MoWSeS,-7.0134441592,-0.7263185806,0.0828852154,0.0828852154,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1029940,Te2MoWSeS,-6.993008875,-0.7058832965,0.1033204996,0.1033204996,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W +mp-1029945,Te2MoWSeS,-7.0127865125,-0.7256609340000001,0.0835428621,0.0835428621,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2a_4b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2a_4b_2b:Mo-S-Se-Te-W +mp-1029947,Te2MoWSeS,-6.9774450792,-0.6903195006,0.1188842954,0.1188842954,GGA,P3m1,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W +mp-1030176,Te2MoWSeS,-7.0130969875,-0.725971409,0.0832323871,0.0832323871,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1030198,Te2MoWSeS,-6.9571732158,-0.6700476373,0.1391561588,0.1391561588,GGA,P3m1,ABCD2E_hP12_156_2b_2a_2a_4b_2a:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2b_2a_2a_4b_2a:Mo-S-Se-Te-W +mp-1030201,Te2MoWSeS,-7.0131896283,-0.7260640498,0.0831397463,0.0831397463,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1030212,Te2MoWSeS,-6.9909368842,-0.7038113056,0.1053924904,0.1053924904,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W +mp-1030307,Te2MoWSeS,-6.9779602025,-0.6908346240000001,0.1183691721,0.1183691721,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1030392,Te2MoWSeS,-6.9928014908,-0.7056759123,0.1035278837,0.1035278837,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W +mp-1030405,Te2MoWSeS,-6.9774691017,-0.6903435231,0.1188602729,0.1188602729,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1030534,Te2MoWSeS,-6.9930548308,-0.7059292523,0.1032745438,0.1032745438,GGA,P3m1,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2a_2b_2a2b_2b:Mo-S-Se-Te-W +mp-1030596,Te2MoWSeS,-6.9927894767000005,-0.7056638981000001,0.1035398979,0.1035398979,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1030570,Te2MoWSeS,-6.993058285,-0.7059327065000001,0.1032710896,0.1032710896,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1080155,Te2MoWSeS,-6.9578037808,-0.6706782023,0.1385255937,0.1385255937,GGA,P3m1,ABCD2E_hP12_156_2b_2a_2a_4b_2a:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2b_2a_2a_4b_2a:Mo-S-Se-Te-W +mp-1080169,Te2MoWSeS,-6.9922583592,-0.7051327806000001,0.1040710154,0.1040710154,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2a_4b_ab:Mo-S-Se-Te-W +mp-1027511,Te2MoWSeS,-6.95726129,-0.6701357115000001,0.1390680846,0.1390680846,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1027736,Te2MoWSeS,-6.9563284875,-0.669202909,0.1400008871,0.1400008871,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1029379,Te2MoWSeS,-6.9772127608000005,-0.6900871823,0.1191166138,0.1191166138,GGA,P3m1,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_2a_2b_2a_2a2b_2b:Mo-S-Se-Te-W +mp-1030700,Te2MoWSeS,-6.9918460133,-0.7047204348,0.1044833613,0.1044833613,GGA,P3m1,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W,12.0,ABCD2E_hP12_156_ab_2a_2b_2a2b_ab:Mo-S-Se-Te-W +mp-1025779,Te2Mo2WSe4,-6.8815760378,-0.7793884659,0.1089714244,0.1089714244,GGA,P3m1,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-Se-Te-W,9.0,A2B4C2D_hP9_156_2b_2a2b_2a_a:Mo-Se-Te-W +mp-1025885,Te2Mo2WSe4,-6.8549453022,-0.7527577303,0.13560216,0.13560216,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-Se-Te-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-Se-Te-W +mp-1025668,Te2Mo2WSe4,-6.8818872167,-0.7796996447000001,0.1086602456,0.1086602456,GGA,P3m1,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-Se-Te-W,9.0,A2B4C2D_hP9_156_ab_2a2b_2a_b:Mo-Se-Te-W +mp-1025754,Te2Mo2WSe4,-6.8816259322,-0.7794383603,0.10892153,0.10892153,GGA,P3m1,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-Se-Te-W,9.0,A2B4C2D_hP9_156_ab_4b_2a_a:Mo-Se-Te-W +mp-1025774,Te2Mo2WSe4,-6.8549077478000005,-0.7527201759000001,0.1356397144,0.1356397144,GGA,P-6m2,A2B4C2D_hP9_187_h_2g_h_a:Mo-Se-Te-W,9.0,"Invalid WP multiplicities - A2B4C2D_hP9_187_h_3g_h_a:Mo-Se-Te-W, expected Te2Mo2WSe6 to be Te2Mo2WSe4" +mp-1025587,Te4W3S2,-7.1851657867,-0.5495531203,0.0932370244,0.0932370244,GGA,P3m1,A2B4C3_hP9_156_2a_2a2b_a2b:S-Te-W,9.0,A2B4C3_hP9_156_2a_2a2b_a2b:S-Te-W +mp-1026362,Te4W3S2,-7.18603708,-0.5504244137000001,0.0923657311,0.0923657311,GGA,P-6m2,A2B4C3_hP9_187_h_2g_ah:S-Te-W,9.0,"Invalid WP multiplicities - A2B4C3_hP9_187_h_3g_ah:S-Te-W, expected Te6W3S2 to be Te4W3S2" +mp-1026347,Te2W3(SeS)2,-7.4538076078,-0.7398381449,0.0646224939,0.0646224939,GGA,P3m1,A2B2C2D3_hP9_156_2b_2a_2a_a2b:S-Se-Te-W,9.0,A2B2C2D3_hP9_156_2b_2a_2a_a2b:S-Se-Te-W +mp-1025578,Te2W3(SeS)2,-7.4531657322,-0.7391962694,0.0652643694,0.0652643694,GGA,P3m1,A2B2C2D3_hP9_156_2a_2b_2a_a2b:S-Se-Te-W,9.0,A2B2C2D3_hP9_156_2a_2b_2a_a2b:S-Se-Te-W +mp-1025637,Te2W3(SeS)2,-7.45308916,-0.7391196971,0.0653409417,0.0653409417,GGA,P3m1,A2B2C2D3_hP9_156_2a_2a_2b_a2b:S-Se-Te-W,9.0,A2B2C2D3_hP9_156_2a_2a_2b_a2b:S-Se-Te-W +mp-1027412,TeMoS,-6.8436991,-0.8018971433000001,0.0772330617,0.0772330617,GGA,P3m1,ABC_hP12_156_2a2b_4a_4b:Mo-S-Te,12.0,ABC_hP12_156_2a2b_4a_4b:Mo-S-Te +mp-1023959,TeMoS,-6.84290472,-0.8011027633000001,0.0780274417,0.0780274417,GGA,P3m1,ABC_hP6_156_ab_2a_2b:Mo-S-Te,6.0,ABC_hP6_156_ab_2a_2b:Mo-S-Te +mp-1027738,TeMoS,-6.8428296633,-0.8010277066,0.0781024983,0.0781024983,GGA,P3m1,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-S-Te,12.0,ABC_hP12_156_2a2b_2a2b_2a2b:Mo-S-Te +mp-1027358,TeMoS,-6.8433500792,-0.8015481224000001,0.0775820825,0.0775820825,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-S-Te,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-S-Te, expected Te2Mo3S2 to be TeMoS" +mp-1030461,TeMoS,-6.843428875,-0.8016269183,0.0775032867,0.0775032867,GGA,P-3m1,ABC_hP12_164_2d_2d_2d:Mo-S-Te,12.0,"Invalid WP multiplicities - ABC_hP12_164_3d_2d_2d:Mo-S-Te, expected Te2Mo3S2 to be TeMoS" +mp-1027880,Te2Mo3W(SeS2)2,-7.090841795,-0.8142322309000001,0.1833204587,0.1833204587,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027980,Te2Mo3W(SeS2)2,-7.0910914075,-0.8144818434000001,0.1830708463,0.1830708463,GGA,P3m1,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W +mp-1030961,Te2Mo3W(SeS2)2,-7.1989073667,-0.9222978025,0.0752548871,0.0752548871,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1026917,Te2Mo3W(SeS2)2,-7.1979447275,-0.9213351634,0.0762175262,0.0762175262,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1026918,Te2Mo3W(SeS2)2,-7.0908242083,-0.8142146442,0.1833380454,0.1833380454,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027095,Te2Mo3W(SeS2)2,-7.0910285367,-0.8144189725000001,0.1831337171,0.1831337171,GGA,P3m1,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W +mp-1027144,Te2Mo3W(SeS2)2,-7.18228128,-0.9056717159,0.0918809738,0.0918809738,GGA,P3m1,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W +mp-1027175,Te2Mo3W(SeS2)2,-7.19828207,-0.9216725059,0.0758801837,0.0758801837,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W +mp-1027302,Te2Mo3W(SeS2)2,-7.1977392133,-0.9211296492,0.0764230404,0.0764230404,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W +mp-1027424,Te2Mo3W(SeS2)2,-7.1977515475,-0.9211419834,0.0764107062,0.0764107062,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W +mp-1030418,Te2Mo3W(SeS2)2,-7.1987659725,-0.9221564084,0.0753962813,0.0753962813,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1030462,Te2Mo3W(SeS2)2,-7.1982036392,-0.921594075,0.0759586146,0.0759586146,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_4b_2a_2a_a:Mo-S-Se-Te-W +mp-1030507,Te2Mo3W(SeS2)2,-7.1823244033,-0.9057148392,0.0918378504,0.0918378504,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1080162,Te2Mo3W(SeS2)2,-7.19739639,-0.9207868259,0.0767658637,0.0767658637,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027443,Te2Mo3W(SeS2)2,-7.0911140725,-0.8145045084,0.1830481812,0.1830481812,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027501,Te2Mo3W(SeS2)2,-7.1824751375,-0.9058655734,0.0916871163,0.0916871163,GGA,P3m1,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_2ab_4b_2a_2a_b:Mo-S-Se-Te-W +mp-1027530,Te2Mo3W(SeS2)2,-7.1990249883,-0.9224154242,0.0751372654,0.0751372654,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1027570,Te2Mo3W(SeS2)2,-7.0899002375,-0.8132906734,0.1842620162,0.1842620162,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027607,Te2Mo3W(SeS2)2,-7.182403625,-0.9057940609,0.0917586288,0.0917586288,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1027689,Te2Mo3W(SeS2)2,-7.1828254808,-0.9062159167,0.0913367729,0.0913367729,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1027742,Te2Mo3W(SeS2)2,-7.198903295,-0.9222937309,0.0752589588,0.0752589588,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-1027772,Te2Mo3W(SeS2)2,-7.182721155,-0.9061115909,0.0914410988,0.0914410988,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2b_2a_a:Mo-S-Se-Te-W +mp-1030723,Te2Mo3W(SeS2)2,-7.1985393175,-0.9219297534,0.0756229363,0.0756229363,GGA,P3m1,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W,12.0,A3B4C2D2E_hP12_156_a2b_2a2b_2a_2b_a:Mo-S-Se-Te-W +mp-2221131,MgCu3(NiO3)4,-5.815984679,-0.9970491133,0.1208028023,0.1208028023,GGA+U,Cm,A3BC4D12_mC40_8_3a_a_2b_4a4b:Cu-Mg-Ni-O,20.0,"Invalid WP multiplicities - A3BC4D12_mC40_8_3a_a_4b_4a7b:Cu-Mg-Ni-O, expected MgCu3(Ni4O9)2 to be MgCu3(NiO3)4" +mp-1043183,MgCu3(NiO3)4,-5.8501502385,-1.0312146728,0.0866372428,0.0866372428,GGA+U,Im-3,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Ni-O,20.0,A3BC4D12_cI40_204_b_a_c_g:Cu-Mg-Ni-O +mp-1032754,YMg6NiO8,-6.5710694138,-2.7322070523,0.2578039487,0.2578039487,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Ni-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Ni-O-Y, expected YMg6NiO12 to be YMg6NiO8" +mp-1032757,YMg6NiO8,-6.6254692906,-2.7866069292,0.2034040718,0.2034040718,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Ni-O-Y,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Ni-O-Y, expected YMg6NiO12 to be YMg6NiO8" +mp-2226976,BaYMgCuNiO5,-6.557611395,-2.097760094,0.4440485513,0.4440485513,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Ni-O-Y,10.0,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Ni-O-Y +mp-2224210,BaYMgCuNiO5,-6.556738104,-2.096886803,0.4449218423,0.4449218423,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Ni-O-Y,10.0,ABCDE5F_oP10_25_c_b_a_b_2ab2d_c:Ba-Cu-Mg-Ni-O-Y +mp-2232492,Ba2YMgNi3O8,-6.6585476033,-2.0706395518,0.2781489125,0.2781489125,GGA+U,Pmm2,A2BC3D8E_oP15_25_2b_a_3c_3a2c3d_b:Ba-Mg-Ni-O-Y,15.0,A2BC3D8E_oP15_25_2b_a_3c_3a2c3d_b:Ba-Mg-Ni-O-Y +mp-2232237,Ba2YMgNi3O8,-6.6485177427,-2.0606096911,0.2881787732,0.2881787732,GGA+U,P4mm,A2BC3D8E_tP15_99_2a_a_3b_2b3c_a:Ba-Mg-Ni-O-Y,15.0,"Invalid WP multiplicities - A2BC3D8E_tP15_99_2a_a_3b_2b4c_a:Ba-Mg-Ni-O-Y, expected Ba2YMgNi3O10 to be Ba2YMgNi3O8" +mp-2232202,Ba2YMgNi3O8,-6.6870433467,-2.0991352951,0.2496531692,0.2496531692,GGA+U,P4/mmm,A2BC3D8E_tP15_123_g_a_ch_fhi_b:Ba-Mg-Ni-O-Y,15.0,"Invalid WP multiplicities - A2BC3D8E_tP15_123_g_a_c2h_2f2h2i_b:Ba-Mg-Ni-O-Y, expected Ba2YMgNi5O16 to be Ba2YMgNi3O8" +mp-2232305,Ba2YMgNi3O8,-6.3724001707,-1.7844921191,0.5642963452,0.5642963452,GGA+U,P4/mmm,A2BC3D8E_tP15_123_h_a_bg_egi_c:Ba-Mg-Ni-O-Y,15.0,"Invalid WP multiplicities - A2BC3D8E_tP15_123_h_a_b2g_2e2g2i_c:Ba-Mg-Ni-O-Y, expected Ba2YMgNi5O16 to be Ba2YMgNi3O8" +mp-2228616,MgCu2(NiO2)4,-5.8922527587,-1.059402772,0.290305631,0.290305631,GGA+U,Imm2,A2BC4D8_oI30_44_ab_a_cd_2c2d:Cu-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_oI30_44_ab_a_2cd_3c4d:Cu-Mg-Ni-O, expected MgCu2(Ni3O7)2 to be MgCu2(NiO2)4" +mp-2228671,MgCu2(NiO2)4,-5.9689486833,-1.1360986967,0.2136097063,0.2136097063,GGA+U,R-3m,A2BC4D8_hR45_166_c_b_ad_ch:Cu-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_hR45_166_c_b_ad_2c2h:Cu-Mg-Ni-O, expected MgCu2(NiO4)4 to be MgCu2(NiO2)4" +mp-2228675,MgCu2(NiO2)4,-5.534184784,-0.7013347973,0.6483736057,0.6483736057,GGA+U,F-43m,A2BC4D8_cF60_216_ac_b_e_2e:Cu-Mg-Ni-O,15.0,"Invalid WP multiplicities - A2BC4D8_cF60_216_ac_b_e_3e:Cu-Mg-Ni-O, expected MgCu2(NiO3)4 to be MgCu2(NiO2)4" +mp-1041446,MgCu2(NiO4)2,-5.6182747662,-0.9311611938,0.2522296454,0.2522296454,GGA+U,P2_1/c,A2BC2D8_mP52_14_2e_e_2e_8e:Cu-Mg-Ni-O,52.0,"Invalid WP multiplicities - A2BC2D8_mP52_14_6e_e_5e_26e:Cu-Mg-Ni-O, expected MgCu6Ni5O26 to be MgCu2(NiO4)2" +mp-1036222,YMg14NiO16,-6.45836868,-2.902195309,0.1198303412,0.1198303412,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Ni-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Ni-O-Y, expected YMg18NiO20 to be YMg14NiO16" +mp-1036049,YMg14NiO16,-6.4612574825,-2.9050841115,0.1169415387,0.1169415387,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Ni-O-Y,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Ni-O-Y, expected YMg30NiO32 to be YMg14NiO16" +mp-1037407,Mg30CuNiO32,-6.2986608141,-2.9208204452,0.0112771755,0.0112771755,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Cu-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Cu-Mg-Ni-O, expected Mg110CuNiO72 to be Mg30CuNiO32" +mp-1037367,Mg30CuNiO32,-6.2990399372,-2.9211995683,0.0108980523,0.0108980523,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Cu-Mg-Ni-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Cu-Mg-Ni-O, expected Mg90CuNiO80 to be Mg30CuNiO32" +mp-1035566,Mg14CuNiO16,-6.2512487675,-2.7690524103,0.0411025316,0.0411025316,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Cu-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Cu-Mg-Ni-O, expected Mg18CuNiO20 to be Mg14CuNiO16" +mp-1035352,Mg14CuNiO16,-6.2664276553,-2.7842312981,0.0259236438,0.0259236438,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Cu-Mg-Ni-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Cu-Mg-Ni-O, expected Mg30CuNiO32 to be Mg14CuNiO16" +mp-1404372,BaYCuNiO5,-7.0432776089,-2.2656961689,0.0718418887,0.0718418887,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Ni-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Ni-O-Y +mp-1032112,Mg6CuNiO8,-6.2114487444,-2.5205404106,0.0457291737,0.0457291737,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Cu-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Cu-Mg-Ni-O, expected Mg6CuNiO12 to be Mg6CuNiO8" +mp-1032150,Mg6CuNiO8,-6.1526710944,-2.4617627606,0.1045068238,0.1045068238,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Cu-Mg-Ni-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Cu-Mg-Ni-O, expected Mg6CuNiO12 to be Mg6CuNiO8" +mp-1037756,YMg30NiO32,-6.393208003,-2.9783791271,0.0596538476,0.0596538476,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Ni-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Ni-O-Y, expected YMg90NiO80 to be YMg30NiO32" +mp-1037774,YMg30NiO32,-6.3959087086,-2.9810798328,0.056953142,0.056953142,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Ni-O-Y,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Ni-O-Y, expected YMg110NiO72 to be YMg30NiO32" +mp-1228275,Ba4Y2Cu6NiO15,-6.591562638,-2.1206858753,0.0205676839,0.0205676839,GGA+U,Amm2,A4B6CD15E2_oC56_38_4a_6b_b_5a10b_2a:Ba-Cu-Ni-O-Y,56.0,"Invalid WP multiplicities - A4B6CD15E2_oC56_38_4a_7b_b_5a10b_2a:Ba-Cu-Ni-O-Y, expected Ba4Y2Cu7NiO15 to be Ba4Y2Cu6NiO15" +mp-2715578,Na8Sc2Si5Sn2SO24,-7.0503310247,-2.7349059448,0.0495294184,0.0495294184,GGA,P1,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Sn,126.0,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Sn +mp-2713649,Na4Sc2Si3Sn2(SO8)3,-7.111471079,-2.5488390829,0.1099794746,0.1099794746,GGA,P1,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Sn,114.0,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Sn +mp-1100440,NaScSn,-3.8562703367,0.0319184145,0.4864405043,0.4864405043,GGA,F-43m,ABC_cF12_216_a_c_b:Na-Sc-Sn,3.0,ABC_cF12_216_a_c_b:Na-Sc-Sn +mp-2715927,Na10Sc4Si7Sn4S5O48,-7.0898533115,-2.5937770235,0.1177205851,0.1177205851,GGA,P1,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Sn,234.0,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Sn +mp-2715111,Na14Sc4Si9Sn4(SO16)3,-7.0649445787,-2.6922398475,0.0756580826,0.0756580826,GGA,P1,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Sn,246.0,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Sn +mp-2716562,Na2Sc4Si3Sn4(S3O16)3,-7.1595697211000005,-2.3744515003,0.0819611412,0.0819611412,GGA,P1,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Sn,210.0,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Sn +mp-2716541,Na5Sc3Si3Sn(SO8)3,-7.2228101824,-2.6836963773,0.0990524313,0.0990524313,GGA,P1,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Sn,117.0,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Sn +mp-2716407,Na3ScSi3Sn3(SO8)3,-6.9959987121000005,-2.4085772712,0.1196121026,0.1196121026,GGA,P1,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Sn,111.0,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Sn +mp-1220936,NaScSnO4,-7.2446589768,-2.7516131056,0.0064679362,0.0064679362,GGA,Pmc2_1,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Sn,28.0,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Sn +mp-2712844,Sc2SiSn2S5O24,-7.1771630747,-2.309157829,0.0428630272,0.0428630272,GGA,P1,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Sn,102.0,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Sn +mp-2712559,NaScSiSn(SO6)2,-7.1530357069,-2.4461996762,0.0984809372,0.0984809372,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Sc-Si-Sn,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Sc-Si-Sn, expected NaScSiSnS3O20 to be NaScSiSn(SO6)2" +mp-2716035,Na6Sc4Si5Sn4S7O48,-7.1363392185,-2.5035539082,0.0997380818,0.0997380818,GGA,P1,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Sn,222.0,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Sn +mp-2714499,Na3ScSi2SnSO12,-7.073302234,-2.6404538689,0.1100797563,0.1100797563,GGA,Cc,A3B12CDE2F_mC80_9_3a_12a_a_a_2a_a:Na-O-S-Sc-Si-Sn,120.0,"Invalid WP multiplicities - A3B12CDE2F_mC80_9_13a_72a_a_a_7a_a:Na-O-S-Sc-Si-Sn, expected Na13ScSi7SnSO72 to be Na3ScSi2SnSO12" +mp-2715725,Na2La2Sc2SiS5O24,-7.3992118347,-2.6767090725,0.068791223,0.068791223,GGA,P1,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:La-Na-O-S-Sc-Si,108.0,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:La-Na-O-S-Sc-Si +mp-2713763,Na6La4Sc4Si3(S3O16)3,-7.372835226,-2.7248066094,0.0733478791,0.0733478791,GGA,P1,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:La-Na-O-S-Sc-Si,222.0,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:La-Na-O-S-Sc-Si +mp-2713581,Na2LaScSi(SO6)2,-7.3305492031,-2.7530750401,0.0863698268,0.0863698268,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-S-Sc-Si,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-S-Sc-Si +mp-2713841,LaSc(SO4)3,-7.4882543475,-2.6036607978,0.0152769707,0.0152769707,GGA,P321,AB12C3D_hP102_150_2cd_12g_ef2g_3d:La-O-S-Sc,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_3cd_20g_ef4g_5d:La-O-S-Sc, expected La4Sc5(SO4)15 to be LaSc(SO4)3" +mp-2715721,Na14La4Sc4Si7S5O48,-7.2217253886,-2.8352645029,0.0986088103,0.0986088103,GGA,P1,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:La-Na-O-S-Sc-Si,246.0,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:La-Na-O-S-Sc-Si +mp-2714590,Na4LaScSi2SO12,-7.189462117,-2.86060841,0.0851332806,0.0851332806,GGA,P1,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:La-Na-O-S-Sc-Si,126.0,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:La-Na-O-S-Sc-Si +mp-2714152,Na2La4Sc4SiS11O48,-7.4371690185,-2.6359364452,0.0480906229,0.0480906229,GGA,P1,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:La-Na-O-S-Sc-Si,210.0,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:La-Na-O-S-Sc-Si +mp-2716201,Na6La2Sc2Si3(SO8)3,-7.2573091008,-2.8103606772000003,0.1054713899,0.1054713899,GGA,P1,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:La-Na-O-S-Sc-Si,120.0,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:La-Na-O-S-Sc-Si +mp-2715184,Na10La4Sc4Si5S7O48,-7.2899437638,-2.7794058775,0.0992119126,0.0992119126,GGA,P1,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:La-Na-O-S-Sc-Si,234.0,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:La-Na-O-S-Sc-Si +mp-729033,MnCuH10Se2(ClO5)2,-5.3942027547,-1.265577147,0.0406093441,0.0406093441,GGA+U,Pnma,A2BC10DE10F2_oP104_62_d_a_2c4d_c_2c4d_d:Cl-Cu-H-Mn-O-Se,104.0,A2BC10DE10F2_oP104_62_d_a_2c4d_c_2c4d_d:Cl-Cu-H-Mn-O-Se +mp-34328,Mn(CuCl2)2,-4.5464164629,-1.0100485668,0.0235907,0.0235907,GGA,Amm2,A4B2C_oC14_38_2ae_d_b:Cl-Cu-Mn,7.0,"Invalid WP multiplicities - A4B2C_oC14_38_2a2e_d_b:Cl-Cu-Mn, expected Mn(CuCl3)2 to be Mn(CuCl2)2" +mp-2713563,Na2TiAl(PO4)3,-7.6742473698,-2.9433899757,0.0147124378,0.0147124378,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Al-Na-O-P-Ti,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Al-Na-O-P-Ti, expected Na2TiAl(PO4)18 to be Na2TiAl(PO4)3" +mp-730082,Na5Ti7Al(PO4)12,-4.6856932953,0.3557770421,3.361439917,3.361439917,GGA,P1,AB5C48D12E7_aP73_1_a_5a_48a_12a_7a:Al-Na-O-P-Ti,73.0,AB5C48D12E7_aP73_1_a_5a_48a_12a_7a:Al-Na-O-P-Ti +mp-2716044,Na5Ti2Al2SiP5O24,-7.5859211722,-2.9421488185,0.030002287,0.030002287,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-Si-Ti +mp-2714623,Na7Ti2Al2Si3(PO8)3,-7.4234419915,-2.9410955664,0.0508037268,0.0508037268,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Ti,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Al-Na-O-P-Si-Ti +mp-2714793,Na3Ti3Al(PO4)6,-7.9162084259,-2.981074051,0.0083068641,0.0083068641,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Ti,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-P-Ti +mp-2715724,Na4TiAlSi2PO12,-7.3451226314,-2.9377239589,0.05418448,0.05418448,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Al-Na-O-P-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Al-Na-O-P-Si-Ti, expected Na19TiAlSi12PO72 to be Na4TiAlSi2PO12" +mp-2715405,Na3TiAlSi(PO6)2,-7.5014605177,-2.9404189524,0.0431364327,0.0431364327,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Al-Na-O-P-Si-Ti,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Al-Na-O-P-Si-Ti, expected Na14Ti3Al3Si3(P5O36)2 to be Na3TiAlSi(PO6)2" +mp-2715517,Na3TiAlSi(PO6)2,-7.499436647,-2.9383950817,0.0451603033,0.0451603033,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Al-Na-O-P-Si-Ti,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Al-Na-O-P-Si-Ti, expected Na3TiAlSi(PO15)2 to be Na3TiAlSi(PO6)2" +mp-2713184,Na5TiAl3(PO4)6,-7.445862765,-2.908806609,0.0196213286,0.0196213286,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Ti,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Al-Na-O-P-Ti +mp-2713119,Sc2Ti2SiS5O24,-7.6953544881,-2.5987657035,0.0269470002,0.0269470002,GGA,P1,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Ti,102.0,A24B5C2DE2_aP102_1_72a_15a_6a_3a_6a:O-S-Sc-Si-Ti +mp-2712602,NaScTiSi(SO6)2,-7.6345758207,-2.7118553366,0.0651846183,0.0651846183,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Sc-Si-Ti,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Sc-Si-Ti, expected NaScTiSiS3O20 to be NaScTiSi(SO6)2" +mp-2716440,Na2Sc4Ti4Si3(S3O16)3,-7.659805087,-2.6526342855,0.0509038617,0.0509038617,GGA,P1,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Ti,210.0,A2B48C9D4E3F4_aP210_1_6a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Ti +mp-2714366,Na3ScTiSi2SO12,-7.4992525971,-2.8721082239,0.0875488087,0.0875488087,GGA,Cc,A3B12CDE2F_mC80_9_3a_12a_a_a_2a_a:Na-O-S-Sc-Si-Ti,120.0,"Invalid WP multiplicities - A3B12CDE2F_mC80_9_13a_72a_a_a_7a_a:Na-O-S-Sc-Si-Ti, expected Na13ScTiSi7SO72 to be Na3ScTiSi2SO12" +mp-2715758,Na8Sc2Ti2Si5SO24,-7.4452261868,-2.9447572897,0.0508065701,0.0508065701,GGA,P1,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Ti,126.0,A8B24CD2E5F2_aP126_1_24a_72a_3a_6a_15a_6a:Na-O-S-Sc-Si-Ti +mp-2715949,Na6Sc4Ti4Si5S7O48,-7.6003015994,-2.7574665506,0.0719047988,0.0719047988,GGA,P1,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Ti,222.0,A6B48C7D4E5F4_aP222_1_18a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Ti +mp-2713720,Na4Sc2Ti2Si3(SO8)3,-7.5630403097,-2.7958861998,0.0830622602,0.0830622602,GGA,P1,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Ti,114.0,A4B24C3D2E3F2_aP114_1_12a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Ti +mp-2713487,Na5Sc3TiSi3(SO8)3,-7.4409440046,-2.802191221,0.0878003606,0.0878003606,GGA,P1,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Ti,117.0,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Ti +mp-2715832,Na10Sc4Ti4Si7S5O48,-7.5246598905,-2.8293056456,0.0966775091,0.0966775091,GGA,P1,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Ti,234.0,A10B48C5D4E7F4_aP234_1_30a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Ti +mp-2715142,Na14Sc4Ti4Si9(SO16)3,-7.472457019,-2.9101952067,0.0695858778,0.0695858778,GGA,P1,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Ti,246.0,A14B48C3D4E9F4_aP246_1_42a_144a_9a_12a_27a_12a:Na-O-S-Sc-Si-Ti +mp-1220931,NaScTiO4,-8.3992015446,-3.3510242218,0.0196304429,0.0196304429,GGA,Pmc2_1,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Ti,28.0,AB4CD_oP28_26_ab_4a4b_2a_2b:Na-O-Sc-Ti +mp-2714741,Na3ScTi3Si3(SO8)3,-7.6875182603,-2.7850222117000003,0.0822862011,0.0822862011,GGA,P1,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Ti,111.0,A3B24C3DE3F3_aP111_1_9a_72a_9a_3a_9a_9a:Na-O-S-Sc-Si-Ti +mp-2716272,Na8CaSi5Ge3SO24,-6.7294514225,-2.5285358301,0.1102803844,0.1102803844,GGA,P1,AB3C8D24EF5_aP126_1_3a_9a_24a_72a_3a_15a:Ca-Ge-Na-O-S-Si,126.0,AB3C8D24EF5_aP126_1_3a_9a_24a_72a_3a_15a:Ca-Ge-Na-O-S-Si +mp-2714244,Na2Ca3Ge(SO4)6,-6.6358890668,-2.2796638903,0.045050954,0.045050954,GGA,P3,A3BC2D24E6_hP108_143_2a3b4c_2ab_2a2b2c_24d_6d:Ca-Ge-Na-O-S,108.0,A3BC2D24E6_hP108_143_2a3b4c_2ab_2a2b2c_24d_6d:Ca-Ge-Na-O-S +mp-2715762,Na14Ca4Si7Ge4S5O48,-6.6428139462,-2.4826871324,0.1351262847,0.1351262847,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ca-Ge-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ca-Ge-Na-O-S-Si +mp-2715912,Na10Ca2Si7Ge6S5O48,-6.7525274598,-2.3797690815,0.1734611158,0.1734611158,GGA,P1,A2B6C10D48E5F7_aP234_1_6a_18a_30a_144a_15a_21a:Ca-Ge-Na-O-S-Si,234.0,A2B6C10D48E5F7_aP234_1_6a_18a_30a_144a_15a_21a:Ca-Ge-Na-O-S-Si +mp-2713323,Na2CaSiGe(SO6)2,-6.6055981691,-2.2723265575,0.230655752,0.230655752,GGA,Cc,ABC2D12E2F_mC228_9_3a_3a_6a_36a_6a_3a:Ca-Ge-Na-O-S-Si,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC228_9_3a_3a_6a_60a_9a_3a:Ca-Ge-Na-O-S-Si, expected Na2CaSiGeS3O20 to be Na2CaSiGe(SO6)2" +mp-2716503,Na2Ca2Si3Ge6(S3O16)3,-6.7493011024000005,-2.1015942665,0.1130464959,0.1130464959,GGA,P1,A2B6C2D48E9F3_aP210_1_6a_18a_6a_144a_27a_9a:Ca-Ge-Na-O-S-Si,210.0,A2B6C2D48E9F3_aP210_1_6a_18a_6a_144a_27a_9a:Ca-Ge-Na-O-S-Si +mp-2713992,Na6Ca4Si3Ge4(S3O16)3,-6.6815295211,-2.2843035247,0.138324815,0.138324815,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ca-Ge-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ca-Ge-Na-O-S-Si +mp-2716270,Na6Ca2Si3Ge2(SO8)3,-6.5840543328,-2.3690983331,0.2179186449,0.2179186449,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ca-Ge-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ca-Ge-Na-O-S-Si +mp-2714564,Na6CaSi4Ge3(SO12)2,-6.7330420823,-2.4204286791,0.1671558989,0.1671558989,GGA,P1,AB3C6D24E2F4_aP120_1_3a_9a_18a_72a_6a_12a:Ca-Ge-Na-O-S-Si,120.0,AB3C6D24E2F4_aP120_1_3a_9a_18a_72a_6a_12a:Ca-Ge-Na-O-S-Si +mp-2713145,Na4Ca3SiGeS5O24,-6.6134734939,-2.382999149,0.1195040017,0.1195040017,GGA,P1,A3BC4D24E5F_aP114_1_9a_3a_12a_72a_15a_3a:Ca-Ge-Na-O-S-Si,114.0,A3BC4D24E5F_aP114_1_9a_3a_12a_72a_15a_3a:Ca-Ge-Na-O-S-Si +mp-2714421,Na2Ca2SiGe2S5O24,-6.6648653305,-2.2001319279,0.125088695,0.125088695,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ca-Ge-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Ca-Ge-Na-O-S-Si +mp-2715995,Na6Ca2Si5Ge6S7O48,-6.7415771559,-2.2387755882,0.1843448605,0.1843448605,GGA,P1,A2B6C6D48E7F5_aP222_1_6a_18a_18a_144a_21a_15a:Ca-Ge-Na-O-S-Si,222.0,A2B6C6D48E7F5_aP222_1_6a_18a_18a_144a_21a_15a:Ca-Ge-Na-O-S-Si +mp-2712880,CaSiGe3S5O24,-6.717648748,-1.9910963986,0.0784837293,0.0784837293,GGA,P1,AB3C24D5E_aP102_1_3a_9a_72a_15a_3a:Ca-Ge-O-S-Si,102.0,AB3C24D5E_aP102_1_3a_9a_72a_15a_3a:Ca-Ge-O-S-Si +mp-2715014,Na10Ca4Si5Ge4S7O48,-6.5858055999000005,-2.313208661,0.236449596,0.236449596,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ca-Ge-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ca-Ge-Na-O-S-Si +mp-2714674,Na14Ca2Si9Ge6(SO16)3,-6.7286797196,-2.4732773902,0.1412978589,0.1412978589,GGA,P1,A2B6C14D48E3F9_aP246_1_6a_18a_42a_144a_9a_27a:Ca-Ge-Na-O-S-Si,246.0,A2B6C14D48E3F9_aP246_1_6a_18a_42a_144a_9a_27a:Ca-Ge-Na-O-S-Si +mp-2714981,Na6Ca7Ge(SO4)12,-6.6179239774,-2.379061338,0.0428288381,0.0428288381,GGA,P1,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ca-Ge-Na-O-S,222.0,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Ca-Ge-Na-O-S +mp-2712570,Na6Ca6SiGe2S11O48,-6.6114044563,-2.3197540312,0.1023821995,0.1023821995,GGA,P1,A6B2C6D48E11F_aP222_1_18a_6a_18a_144a_33a_3a:Ca-Ge-Na-O-S-Si,222.0,A6B2C6D48E11F_aP222_1_18a_6a_18a_144a_33a_3a:Ca-Ge-Na-O-S-Si +mp-2712678,Na2CaSi2Ge3(SO6)4,-6.756196382,-2.1829547534,0.1427716482,0.1427716482,GGA,P1,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Ge-Na-O-S-Si,108.0,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Ge-Na-O-S-Si +mp-2714875,Na2Ca5Ge3(SO4)12,-6.6462095167,-2.1659153725,0.0479450456,0.0479450456,GGA,P1,A5B3C2D48E12_aP210_1_15a_9a_6a_144a_36a:Ca-Ge-Na-O-S,210.0,A5B3C2D48E12_aP210_1_15a_9a_6a_144a_36a:Ca-Ge-Na-O-S +mp-2713539,Na4CaSi3Ge3(SO8)3,-6.7300748523,-2.2940059739,0.2089667852,0.2089667852,GGA,P1,AB3C4D24E3F3_aP114_1_3a_9a_12a_72a_9a_9a:Ca-Ge-Na-O-S-Si,114.0,AB3C4D24E3F3_aP114_1_3a_9a_12a_72a_9a_9a:Ca-Ge-Na-O-S-Si +mp-2713125,Na10Ca3Si6Ge5(SO8)6,-6.669104605,-2.3464269464,0.2050172808,0.2050172808,GGA,P1,A3B5C10D48E6F6_aP234_1_9a_15a_30a_144a_18a_18a:Ca-Ge-Na-O-S-Si,234.0,A3B5C10D48E6F6_aP234_1_9a_15a_30a_144a_18a_18a:Ca-Ge-Na-O-S-Si +mp-2714079,Na14Ca5Si6Ge3(SO8)6,-6.5685167839,-2.4560277279,0.1634047732,0.1634047732,GGA,P1,A5B3C14D48E6F6_aP246_1_15a_9a_42a_144a_18a_18a:Ca-Ge-Na-O-S-Si,246.0,A5B3C14D48E6F6_aP246_1_15a_9a_42a_144a_18a_18a:Ca-Ge-Na-O-S-Si +mp-2712601,Na6Ca3Si2Ge(SO6)4,-6.5746943534,-2.4573957571,0.1261385792,0.1261385792,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Ge-Na-O-S-Si,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Ge-Na-O-S-Si +mp-2714620,Na10Ca6Si3Ge2(S3O16)3,-6.5819714222,-2.4095359228,0.1365503941,0.1365503941,GGA,P1,A6B2C10D48E9F3_aP234_1_18a_6a_30a_144a_27a_9a:Ca-Ge-Na-O-S-Si,234.0,A6B2C10D48E9F3_aP234_1_18a_6a_30a_144a_27a_9a:Ca-Ge-Na-O-S-Si +mp-2715061,Na8Ca3Si3Ge(SO8)3,-6.531847185,-2.5169456944,0.1262400767,0.1262400767,GGA,P1,A3BC8D24E3F3_aP126_1_9a_3a_24a_72a_9a_9a:Ca-Ge-Na-O-S-Si,126.0,A3BC8D24E3F3_aP126_1_9a_3a_24a_72a_9a_9a:Ca-Ge-Na-O-S-Si +mp-2714629,Na6CaSi6Ge7(SO8)6,-6.8187749488,-2.2631855954,0.1601809077,0.1601809077,GGA,P1,AB7C6D48E6F6_aP222_1_3a_21a_18a_144a_18a_18a:Ca-Ge-Na-O-S-Si,222.0,AB7C6D48E6F6_aP222_1_3a_21a_18a_144a_18a_18a:Ca-Ge-Na-O-S-Si +mp-2715854,Na14Ca6Si5Ge2S7O48,-6.5197501706,-2.4548988723000003,0.1637376264,0.1637376264,GGA,P1,A6B2C14D48E7F5_aP246_1_18a_6a_42a_144a_21a_15a:Ca-Ge-Na-O-S-Si,246.0,A6B2C14D48E7F5_aP246_1_18a_6a_42a_144a_21a_15a:Ca-Ge-Na-O-S-Si +mp-2714568,Na4CaSi2GeSO12,-6.6046629069,-2.4967543654,0.1442466274,0.1442466274,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ca-Ge-Na-O-S-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_14a_60a_a_7a:Ca-Ge-Na-O-S-Si, expected Na14CaSi7GeSO60 to be Na4CaSi2GeSO12" +mp-2714290,Na2Ca4SiGe4S11O48,-6.673226573,-2.1371281982,0.0769923347,0.0769923347,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ca-Ge-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ca-Ge-Na-O-S-Si +mp-2713015,Na3Hf2SiGe2P5O24,-7.8312648509,-2.8490927081,0.0499584467,0.0499584467,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-Hf-Na-O-P-Si,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-Hf-Na-O-P-Si +mp-2712719,Na2HfSiGe(PO6)2,-7.7393399164,-2.8531580717,0.0756196599,0.0756196599,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ge-Hf-Na-O-P-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ge-Hf-Na-O-P-Si +mp-2714515,Na7Hf2Si5Ge2PO24,-7.5001651489,-2.8738594769,0.0456760183,0.0456760183,GGA,P1,A2B2C7D24EF5_aP123_1_6a_6a_21a_72a_3a_15a:Ge-Hf-Na-O-P-Si,123.0,A2B2C7D24EF5_aP123_1_6a_6a_21a_72a_3a_15a:Ge-Hf-Na-O-P-Si +mp-2713163,NaHfGe(PO4)3,-7.9333606232,-2.849865388,0.0161502025,0.0161502025,GGA,P3,ABCD12E3_hP108_143_2a2b2c_2a2b2c_2a2b2c_24d_6d:Ge-Hf-Na-O-P,108.0,ABCD12E3_hP108_143_2a2b2c_2a2b2c_2a2b2c_24d_6d:Ge-Hf-Na-O-P +mp-2714271,Na5Hf2Si3Ge2(PO8)3,-7.6605542327,-2.8654401067,0.061409533,0.061409533,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ge-Hf-Na-O-P-Si,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ge-Hf-Na-O-P-Si +mp-2715467,Na3HfSi2GePO12,-7.573044698,-2.8644449046,0.0604385457,0.0604385457,GGA,P1,ABC3D12EF2_aP120_1_6a_6a_18a_72a_6a_12a:Ge-Hf-Na-O-P-Si,120.0,ABC3D12EF2_aP120_1_6a_6a_18a_72a_6a_12a:Ge-Hf-Na-O-P-Si +mp-2715497,Na3HfSi2GePO12,-7.5809499341,-2.8723501408,0.0525333096,0.0525333096,GGA,P1,ABC3D12EF2_aP80_1_4a_4a_12a_48a_4a_8a:Ge-Hf-Na-O-P-Si,80.0,ABC3D12EF2_aP80_1_4a_4a_12a_48a_4a_8a:Ge-Hf-Na-O-P-Si +mp-2713096,Zr2Al2SiS5O24,-7.5117217956,-2.5289379910000003,0.0337900273,0.0337900273,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Zr,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Al-O-S-Si-Zr +mp-2713576,Na4Zr2Al2Si3(SO8)3,-7.4064014769,-2.7410728755,0.1077133909,0.1077133909,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Zr,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Al-Na-O-S-Si-Zr +mp-2714766,Na3Zr3AlSi3(SO8)3,-7.7068595039,-2.8213977103000003,0.077329165,0.077329165,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Zr,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:Al-Na-O-S-Si-Zr +mp-2714690,Na14Zr4Al4Si9(SO16)3,-7.3370048022,-2.8691178514,0.0967618895,0.0967618895,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Zr,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Al-Na-O-S-Si-Zr +mp-2715742,Na8Zr2Al2Si5SO24,-7.310591356,-2.9022502999,0.0787069269,0.0787069269,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Zr,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Al-Na-O-S-Si-Zr +mp-2713407,Na5ZrAl3Si3(SO8)3,-7.1320877803,-2.6756034893,0.125803225,0.125803225,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Al-Na-O-S-Si-Zr +mp-2715840,Na6Zr4Al4Si5S7O48,-7.43961636,-2.7013588606,0.0873967008,0.0873967008,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Zr,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Al-Na-O-S-Si-Zr +mp-2716401,Na2Zr4Al4Si3(S3O16)3,-7.4873176324,-2.5907002402,0.0556824175,0.0556824175,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Zr,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Al-Na-O-S-Si-Zr +mp-2714373,Na3ZrAlSi2SO12,-7.3503214046,-2.8199112645,0.1262576073,0.1262576073,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Al-Na-O-S-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Al-Na-O-S-Si-Zr, expected Na13ZrAlSi7SO72 to be Na3ZrAlSi2SO12" +mp-2712687,NaZrAlSi(SO6)2,-7.4715070236,-2.6562690207,0.0691207964,0.0691207964,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Al-Na-O-S-Si-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Al-Na-O-S-Si-Zr, expected NaZrAlSiS3O20 to be NaZrAlSi(SO6)2" +mp-2716099,Na10Zr4Al4Si7S5O48,-7.3721973498,-2.7760577029,0.1296807709,0.1296807709,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Zr,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Al-Na-O-S-Si-Zr +mp-764909,Li5Mn3Cr(PO4)4,-7.5990588041,-2.5134058012,0.0916467377,0.0916467377,GGA+U,P1,AB5C3D16E4_aP29_1_a_5a_3a_16a_4a:Cr-Li-Mn-O-P,29.0,AB5C3D16E4_aP29_1_a_5a_3a_16a_4a:Cr-Li-Mn-O-P +mp-756806,Li4Mn3Cr(PO4)4,-7.8148140386,-2.6157063879,0.0032498769,0.0032498769,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cr-Li-Mn-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cr-Li-Mn-O-P +mp-768581,Li8Mn3Cr(PO4)6,-7.4718931483,-2.6240164724,0.0264141509,0.0264141509,GGA+U,P1,AB8C3D24E6_aP42_1_a_8a_3a_24a_6a:Cr-Li-Mn-O-P,42.0,AB8C3D24E6_aP42_1_a_8a_3a_24a_6a:Cr-Li-Mn-O-P +mp-1176848,Li8Mn3Cr(PO4)6,-7.4671045743,-2.6192278983,0.0312027249,0.0312027249,GGA+U,P1,AB8C3D24E6_aP42_1_a_8a_3a_24a_6a:Cr-Li-Mn-O-P,42.0,AB8C3D24E6_aP42_1_a_8a_3a_24a_6a:Cr-Li-Mn-O-P +mp-759645,Li4Mn5Cr(PO4)6,-7.8898512892,-2.5323723016,0.0694217665,0.0694217665,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cr-Li-Mn-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cr-Li-Mn-O-P +mp-757355,Li2MnCr(PO4)2,-7.8178081986,-2.6011636844,0.0022829414,0.0022829414,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Cr-Li-Mn-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Cr-Li-Mn-O-P +mp-776829,Li8Mn7Cr(PO4)12,-7.6341194016,-2.4833401165,0.0167701677,0.0167701677,GGA+U,P1,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Cr-Li-Mn-O-P,76.0,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Cr-Li-Mn-O-P +mp-767775,Li6MnCr3(PO4)6,-7.6169632657,-2.5975872904,0.0467847837,0.0467847837,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Mn-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Mn-O-P +mp-771092,Li6Mn3Cr(PO4)6,-7.532716704,-2.5378923376,0.0559704373,0.0559704373,GGA+U,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Cr-Li-Mn-O-P,40.0,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Cr-Li-Mn-O-P +mp-768041,Li4MnCr3(PO4)4,-7.8172697829,-2.5830884052,0.0048485815,0.0048485815,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cr-Li-Mn-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cr-Li-Mn-O-P +mp-773110,Ti3Mn2Cr(PO4)6,-8.491427325,-2.8563190413,0.0054924324,0.0054924324,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_23b_4b_3a:Cr-Mn-O-P-Ti, expected Ti3Mn2Cr(P4O23)3 to be Ti3Mn2Cr(PO4)6" +mp-778223,Li4Ti3Mn2Cr3O16,-8.2770781864,-2.6430653332,0.0477583489,0.0477583489,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Mn-O-Ti, expected Li4Ti3Mn2Cr3O20 to be Li4Ti3Mn2Cr3O16" +mp-774617,Li4Ti2Mn4Cr3O18,-8.1156033703,-2.3712718903,0.0977968953,0.0977968953,GGA+U,Pbam,A3B4C4D18E2_oP62_55_ah_2g_gh_4g5h_g:Cr-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A3B4C4D18E2_oP62_55_2a2h_5g_3g2h_12g20h_g:Cr-Li-Mn-O-Ti, expected Li5TiMn5Cr3O32 to be Li4Ti2Mn4Cr3O18" +mp-776109,TiMn3Cr2(PO4)6,-8.2776489789,-2.5585385083,0.081535489,0.081535489,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cr-Mn-O-P-Ti, expected TiMn3Cr2(PO11)6 to be TiMn3Cr2(PO4)6" +mp-704600,LiTi4Mn(PO4)6,-8.3580889933,-2.9732764840000003,0.0032851954,0.0032851954,GGA+U,R-3,ABC24D6E4_hR108_148_a_b_4f_f_2c:Li-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC24D6E4_hR108_148_a_b_21f_f_3c:Li-Mn-O-P-Ti, expected LiTi6Mn(PO21)6 to be LiTi4Mn(PO4)6" +mp-1097244,TiMn2Cr,-5.87063169,3.0975108277,3.3016296569,3.3016296569,GGA,Immm,AB2C_oI8_71_a_e_b:Cr-Mn-Ti,4.0,AB2C_oI8_71_a_e_b:Cr-Mn-Ti +mp-758137,Li6TiCr3(PO4)6,-7.6652904135,-2.6775775201,0.0670192661,0.0670192661,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-Ti,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-Ti +mp-768533,Li8TiMn3(PO4)6,-7.5150111393,-2.7089810218,0.0421630479,0.0421630479,GGA+U,P1,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-Ti,42.0,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-Ti +mp-780178,Li8TiMn3(PO4)6,-7.473849066,-2.6678189484,0.0833251213,0.0833251213,GGA+U,R3,A8B3C24D6E_hR126_146_2a2b_3a_8b_2b_a:Li-Mn-O-P-Ti,42.0,"Invalid WP multiplicities - A8B3C24D6E_hR126_146_2a2b_3a_24b_2b_a:Li-Mn-O-P-Ti, expected Li8TiMn3(PO12)6 to be Li8TiMn3(PO4)6" +mp-767369,Li4Ti4MnCr4O18,-8.3840180052,-2.7055579565,0.092222669,0.092222669,GGA+U,Pbam,A4B4CD18E4_oP62_55_gh_2g_a_4g5h_gh:Cr-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4CD18E4_oP62_55_3g2h_5g_a_12g20h_3g2h:Cr-Li-Mn-O-Ti, expected Li10Ti10MnCr10O64 to be Li4Ti4MnCr4O18" +mp-776119,Ti3Mn2Cr3O16,-8.6868293942,-2.4319682098,0.1013395646,0.1013395646,GGA+U,P1,A3B2C16D3_aP24_1_3a_2a_16a_3a:Cr-Mn-O-Ti,24.0,A3B2C16D3_aP24_1_3a_2a_16a_3a:Cr-Mn-O-Ti +mp-725932,TiMnCr(PO4)3,-8.4694527103,-2.7855234417,0.0,-0.0047222756,GGA+U,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Cr-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_18b_b_a:Cr-Mn-O-P-Ti, expected TiMnCr(PO18)3 to be TiMnCr(PO4)3" +mp-769455,Li4Ti4Mn4CrO18,-8.2593153705,-2.6283745649,0.076744627,0.076744627,GGA+U,Pbam,AB4C4D18E4_oP62_55_a_2g_gh_4g5h_gh:Cr-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - AB4C4D18E4_oP62_55_a_5g_3g2h_12g20h_3g2h:Cr-Li-Mn-O-Ti, expected Li10Ti10Mn10CrO64 to be Li4Ti4Mn4CrO18" +mp-771886,Ti3MnCr(PO4)6,-8.3815715926,-2.8472320805,0.0184513565,0.0184513565,GGA+U,R3,ABC24D6E3_hR105_146_a_a_8b_2b_3a:Cr-Mn-O-P-Ti,35.0,"Invalid WP multiplicities - ABC24D6E3_hR105_146_a_a_24b_4b_3a:Cr-Mn-O-P-Ti, expected Ti3MnCr(PO6)12 to be Ti3MnCr(PO4)6" +mp-1101291,Ti3MnCr2(PO4)6,-8.4160219933,-2.7672739269,0.0838384777,0.0838384777,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Cr-Mn-O-P-Ti, expected Ti3MnCr2(P3O22)3 to be Ti3MnCr2(PO4)6" +mp-776210,Li5Ti3Mn2(PO4)6,-7.8243065518,-2.7554199248,0.0972368157,0.0972368157,GGA+U,P1,A5B2C24D6E3_aP40_1_5a_2a_24a_6a_3a:Li-Mn-O-P-Ti,40.0,A5B2C24D6E3_aP40_1_5a_2a_24a_6a_3a:Li-Mn-O-P-Ti +mp-756813,Li4TiMn3(PO4)4,-7.7681980875,-2.6318602744,0.0806831534,0.0806831534,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-Ti,28.0,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-Ti +mp-757139,Li6TiMn3(PO4)6,-7.5880373625,-2.6371518824,0.0624600112,0.0624600112,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Ti,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-Ti +mp-771394,Li4Ti3Mn3Cr2O16,-8.2195755571,-2.6030995674,0.0562713454,0.0562713454,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Mn-O-Ti, expected Li4Ti3Mn3Cr2O20 to be Li4Ti3Mn3Cr2O16" +mp-770152,Li4Ti2Mn3Cr3O16,-8.1701371304,-2.490891303,0.035065137,0.035065137,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cr-Li-Mn-O-Ti,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cr-Li-Mn-O-Ti +mp-771567,LiTi3MnCr(PO4)6,-8.3359849992,-2.902351505,0.0001136861,0.0001136861,GGA+U,R3,ABCD24E6F3_hR108_146_a_a_a_8b_2b_3a:Cr-Li-Mn-O-P-Ti,36.0,"Invalid WP multiplicities - ABCD24E6F3_hR108_146_a_a_a_24b_4b_3a:Cr-Li-Mn-O-P-Ti, expected LiTi3MnCr(PO6)12 to be LiTi3MnCr(PO4)6" +mp-534775,LiTi3MnCr(PO4)6,-8.3357802147,-2.9021467206,0.0003184706,0.0003184706,GGA+U,R32,ABCD24E6F3_hR216_155_c_c_c_8f_def_3c:Cr-Li-Mn-O-P-Ti,72.0,"Invalid WP multiplicities - ABCD24E6F3_hR216_155_c_c_c_29f_2d2e4f_5c:Cr-Li-Mn-O-P-Ti, expected LiTi5MnCr(P6O29)3 to be LiTi3MnCr(PO4)6" +mp-756780,Ti3Mn3Cr2O16,-8.6393178146,-2.4049163043,0.0981576049,0.0981576049,GGA+U,Cm,A2B3C16D3_mC48_8_2a_ab_8a4b_ab:Cr-Mn-O-Ti,24.0,"Invalid WP multiplicities - A2B3C16D3_mC48_8_2a_ab_8a6b_ab:Cr-Mn-O-Ti, expected Ti3Mn3Cr2O20 to be Ti3Mn3Cr2O16" +mp-705887,Li2TiCr(PO4)3,-7.9447179311,-2.8412149166000003,0.0008179755,-0.0064213017,GGA+U,P2_1/c,AB2C12D3E_mP76_14_e_2e_12e_3e_e:Cr-Li-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_mP76_14_e_8e_48e_11e_e:Cr-Li-O-P-Ti, expected Li8TiCrP11O48 to be Li2TiCr(PO4)3" +mp-1223017,Li2TiCr(PO4)3,-7.9455359066,-2.8420328921,0.0,-0.0072392772,GGA+U,Pna2_1,AB2C12D3E_oP76_33_a_2a_12a_3a_a:Cr-Li-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_oP76_33_a_7a_42a_8a_a:Cr-Li-O-P-Ti, expected Li7TiCr(P4O21)2 to be Li2TiCr(PO4)3" +mp-776576,Li2Ti2MnCr2(PO4)6,-8.1872227286,-2.8013501852,0.013191623,0.013191623,GGA+U,P1,A2B2CD24E6F2_aP37_1_2a_2a_a_24a_6a_2a:Cr-Li-Mn-O-P-Ti,37.0,A2B2CD24E6F2_aP37_1_2a_2a_a_24a_6a_2a:Cr-Li-Mn-O-P-Ti +mp-850412,Li7TiCr3(PO4)6,-7.562984398,-2.6503639443,0.084311075,0.084311075,GGA+U,R3,A3B7C24D6E_hR123_146_3a_a2b_8b_2b_a:Cr-Li-O-P-Ti,41.0,"Invalid WP multiplicities - A3B7C24D6E_hR123_146_3a_a2b_24b_2b_a:Cr-Li-O-P-Ti, expected Li7TiCr3(PO12)6 to be Li7TiCr3(PO4)6" +mp-768100,Li4Ti3Mn4Cr2O18,-8.1985205303,-2.5108843875,0.0762096012,0.0762096012,GGA+U,Pmc2_1,A2B4C4D18E3_oP62_26_ab_4a_2a2b_8a10b_2ab:Cr-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A2B4C4D18E3_oP62_26_2ab_6a_4a2b_14a20b_3ab:Cr-Li-Mn-O-Ti, expected Li6Ti4Mn6Cr3O34 to be Li4Ti3Mn4Cr2O18" +mp-758706,Li6Ti3Cr(PO4)6,-7.701387955,-2.8015528343,0.0779867227,0.0779867227,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-Ti,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-Ti +mp-776113,Li8TiMn7(PO4)12,-7.6756250105,-2.5479714551,0.0115973267,0.0115973267,GGA+U,P1,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Ti,76.0,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-Ti +mp-1216946,TiMnCr,-9.0934815992,-0.1899633396,0.0,-0.0013242888,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Mn-Ti,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Mn-Ti, expected Ti3(MnCr)2 to be TiMnCr" +mp-778261,Li4TiMn3Cr2(PO4)6,-7.942917408,-2.6048256978,0.0826062015,0.0826062015,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Mn-O-P-Ti,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Mn-O-P-Ti +mp-771173,Ti2Mn3Cr3O16,-8.5453285779,-2.2376955904,0.0836361697,0.0836361697,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cr-Mn-O-Ti,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cr-Mn-O-Ti, expected Ti2Mn3Cr3O20 to be Ti2Mn3Cr3O16" +mp-2714938,Na2HfNbSi2PO12,-8.2822686925,-3.1071240737,0.0315603969,0.0315603969,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:Hf-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:Hf-Na-Nb-O-P-Si, expected Na2HfNbSi12PO72 to be Na2HfNbSi2PO12" +mp-2715748,NaHf2Nb2SiP5O24,-8.610688243,-3.1063490125,0.0186885416,0.0186885416,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Hf-Na-Nb-O-P-Si,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Hf-Na-Nb-O-P-Si +mp-2714017,NaHf3Nb(PO4)6,-8.670184925000001,-3.1703065955,0.0042349222,0.0042349222,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_a2c_2ab_24d_6d:Hf-Na-Nb-O-P,105.0,A3BCD24E6_hP105_143_2a3b4c_a2c_2ab_24d_6d:Hf-Na-Nb-O-P +mp-2715628,NaHfNbSi(PO6)2,-8.5009186022,-3.1124071055,0.0270913801,0.0270913801,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Hf-Na-Nb-O-P-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Hf-Na-Nb-O-P-Si, expected NaHfNbSiP3O20 to be NaHfNbSi(PO6)2" +mp-2713909,HfNb(PO4)3,-8.7191949058,-3.0922145455,0.0,-0.0136591924,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Hf-Nb-O-P,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Hf-Nb-O-P, expected HfNb(PO12)3 to be HfNb(PO4)3" +mp-2713007,Na3Hf2Nb2Si3(PO8)3,-8.3961059623,-3.1171612406,0.0292286982,0.0292286982,GGA,P1,A2B3C2D24E3F3_aP111_1_6a_9a_6a_72a_9a_9a:Hf-Na-Nb-O-P-Si,111.0,A2B3C2D24E3F3_aP111_1_6a_9a_6a_72a_9a_9a:Hf-Na-Nb-O-P-Si +mp-22637,HfNbP,-9.5159293575,-1.0253304986,0.0,-0.1007365131,GGA,Pnma,ABC_oP12_62_c_c_c:Hf-Nb-P,12.0,ABC_oP12_62_c_c_c:Hf-Nb-P +mp-2716379,Na5Hf2Nb2Si5PO24,-8.1812488175,-3.1045812192,0.0267929354,0.0267929354,GGA,P1,A2B5C2D24EF5_aP117_1_6a_15a_6a_72a_3a_15a:Hf-Na-Nb-O-P-Si,117.0,A2B5C2D24EF5_aP117_1_6a_15a_6a_72a_3a_15a:Hf-Na-Nb-O-P-Si +mp-1048653,Sr3MgCo2S2O5,-6.2051241038,-2.0596056969,0.2809987793,0.2809987793,GGA+U,I-4m2,A2BC5D2E3_tI26_119_e_c_a2f_e_be:Co-Mg-O-S-Sr,13.0,"Invalid WP multiplicities - A2BC5D2E3_tI26_119_e_c_a3f_e_be:Co-Mg-O-S-Sr, expected Sr3MgCo2S2O7 to be Sr3MgCo2S2O5" +mp-1048567,Sr2CoCuSO3,-6.1613805475,-1.966002126,0.1142652661,0.1142652661,GGA+U,P4mm,ABC3DE2_tP16_99_ab_c_ab2c_ab_2a2b:Co-Cu-O-S-Sr,16.0,ABC3DE2_tP16_99_ab_c_ab2c_ab_2a2b:Co-Cu-O-S-Sr +mp-2235569,Sr3Co2Cu2S2O5,-6.093959615,-1.7732544307,0.1645187327,0.1645187327,GGA+U,Cm,A2B2C5D2E3_mC28_8_2a_b_a2b_2a_3a:Co-Cu-O-S-Sr,14.0,A2B2C5D2E3_mC28_8_2a_b_a2b_2a_3a:Co-Cu-O-S-Sr +mp-1400076,Sr3Co2Cu2S2O5,-6.0990929943,-1.77838781,0.1593853534,0.1593853534,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_e_d_ag_e_be:Co-Cu-O-S-Sr,14.0,A2B2C5D2E3_tI28_139_e_d_ag_e_be:Co-Cu-O-S-Sr +mp-1048717,Sr4MgCo2(SO3)2,-6.250403968,-2.2152092044,0.223678274,0.223678274,GGA+U,P-4m2,A2BC6D2E4_tP15_115_g_a_efg_g_2g:Co-Mg-O-S-Sr,15.0,"Invalid WP multiplicities - A2BC6D2E4_tP15_115_g_a_e2fg_g_2g:Co-Mg-O-S-Sr, expected Sr4MgCo2(SO4)2 to be Sr4MgCo2(SO3)2" +mp-2232215,MgCo2(SO5)2,-6.6718549947,-1.7680748289,0.1084376162,0.1084376162,GGA+U,P1,A2BC10D2_aP15_1_2a_a_10a_2a:Co-Mg-O-S,15.0,A2BC10D2_aP15_1_2a_a_10a_2a:Co-Mg-O-S +mp-2715802,NaNb2SiGe2P5O24,-7.9016429135,-2.702112893,0.0256089343,0.0256089343,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Ge-Na-Nb-O-P-Si,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Ge-Na-Nb-O-P-Si +mp-2712843,Na3Nb2Si3Ge2(PO8)3,-7.7404203065,-2.7498086213,0.0506398015,0.0506398015,GGA,P1,A2B3C2D24E3F3_aP111_1_6a_9a_6a_72a_9a_9a:Ge-Na-Nb-O-P-Si,111.0,A2B3C2D24E3F3_aP111_1_6a_9a_6a_72a_9a_9a:Ge-Na-Nb-O-P-Si +mp-2715738,NaNbSiGe(PO6)2,-7.8225310962,-2.7303618869,0.0351546528,0.0351546528,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Ge-Na-Nb-O-P-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Ge-Na-Nb-O-P-Si, expected NaNbSiGeP3O20 to be NaNbSiGe(PO6)2" +mp-2713906,NaNbGe3(PO4)6,-7.59911612,-2.5564516055,0.0139939764,0.0139939764,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_a2c_2ab_24d_6d:Ge-Na-Nb-O-P,105.0,A3BCD24E6_hP105_143_2a3b4c_a2c_2ab_24d_6d:Ge-Na-Nb-O-P +mp-2715378,Na3NbSi3GeO12,-7.4934421689,-2.7770357989,0.0543300286,0.0543300286,GGA,Cc,AB3CD12E3_mC80_9_a_3a_a_12a_3a:Ge-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB3CD12E3_mC80_9_a_3a_a_30a_6a:Ge-Na-Nb-O-Si, expected Na3NbSi6GeO30 to be Na3NbSi3GeO12" +mp-2715264,Na3NbSi3GeO12,-7.4914517779,-2.7750454079,0.0563204195,0.0563204195,GGA,Cc,AB3CD12E3_mC240_9_3a_9a_3a_36a_9a:Ge-Na-Nb-O-Si,120.0,"Invalid WP multiplicities - AB3CD12E3_mC240_9_3a_14a_3a_72a_18a:Ge-Na-Nb-O-Si, expected Na14Nb3Si18(GeO24)3 to be Na3NbSi3GeO12" +mp-2712958,Na7NbSi6(GeO8)3,-7.1726865147,-2.6726742486,0.0591995991,0.0591995991,GGA,P1,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Ge-Na-Nb-O-Si,123.0,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Ge-Na-Nb-O-Si +mp-1220385,NbSiGe,-7.1143084478,-0.3977581394,0.0248761372,0.0248761372,GGA,P3_212,ABC_hP9_153_a_a_a:Ge-Nb-Si,9.0,ABC_hP9_153_a_a_a:Ge-Nb-Si +mp-2713174,Na5Nb3Si6GeO24,-7.8400549663,-2.8961573588,0.0398026011,0.0398026011,GGA,P1,AB5C3D24E6_aP117_1_3a_15a_9a_72a_18a:Ge-Na-Nb-O-Si,117.0,AB5C3D24E6_aP117_1_3a_15a_9a_72a_18a:Ge-Na-Nb-O-Si +mp-2713887,NbGe(PO4)3,-7.9788107276,-2.6656045541,0.0008860313,0.0008860313,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Ge-Nb-O-P,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Ge-Nb-O-P, expected NbGe(PO12)3 to be NbGe(PO4)3" +mp-2715158,Na2NbSi2GePO12,-7.6441786993,-2.7497794054,0.0728989348,0.0728989348,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:Ge-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:Ge-Na-Nb-O-P-Si, expected Na2NbSi12GePO72 to be Na2NbSi2GePO12" +mp-2716534,Na5Nb2Si5Ge2PO24,-7.5660318319,-2.7629109605,0.0734810145,0.0734810145,GGA,P1,A2B5C2D24EF5_aP117_1_6a_15a_6a_72a_3a_15a:Ge-Na-Nb-O-P-Si,117.0,A2B5C2D24EF5_aP117_1_6a_15a_6a_72a_3a_15a:Ge-Na-Nb-O-P-Si +mp-1220284,Nb6SiGe,-9.1265338363,-0.2945118206,0.0830120442,0.0830120442,GGA,Pm-3,AB6C_cP8_200_a_f_b:Ge-Nb-Si,8.0,AB6C_cP8_200_a_f_b:Ge-Nb-Si +mp-2713066,Na14Zn4In4Si5S7O48,-6.2168357549,-2.2158130619,0.1259495886,0.1259495886,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:In-Na-O-S-Si-Zn,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:In-Na-O-S-Si-Zn +mp-2714195,NaZnIn(SO4)3,-6.2450662145,-1.9615347274,0.0070276327,0.0070276327,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:In-Na-O-S-Zn,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:In-Na-O-S-Zn, expected NaZnIn(SO12)3 to be NaZnIn(SO4)3" +mp-2714121,Na7ZnIn3Si3(SO8)3,-6.3248690349,-2.271739654,0.1162652209,0.1162652209,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:In-Na-O-S-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:In-Na-O-S-Si-Zn +mp-2713591,Na6Zn4In4SiS11O48,-6.2363117032,-2.0153902731,0.0408019646,0.0408019646,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:In-Na-O-S-Si-Zn,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:In-Na-O-S-Si-Zn +mp-2714949,Na3Zn3In(SO4)6,-6.1338151432,-1.9706335564,0.0167555464,0.0167555464,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-S-Zn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-S-Zn +mp-2712629,Na3ZnInSi(SO6)2,-6.2174682532,-2.1655939772,0.1128709844,0.1128709844,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:In-Na-O-S-Si-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:In-Na-O-S-Si-Zn, expected Na4ZnInSiS3O20 to be Na3ZnInSi(SO6)2" +mp-2713441,Na4Zn2In2SiS5O24,-6.231627555,-2.0700209158,0.0672387692,0.0672387692,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:In-Na-O-S-Si-Zn,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:In-Na-O-S-Si-Zn +mp-2714881,Na10Zn4In4Si3(S3O16)3,-6.2190525696,-2.1137189372,0.0982023002,0.0982023002,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:In-Na-O-S-Si-Zn,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:In-Na-O-S-Si-Zn +mp-2714838,NaZnIn3(SO4)6,-6.3440215842,-1.9332630595,0.0153967441,0.0153967441,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:In-Na-O-S-Zn,105.0,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:In-Na-O-S-Zn +mp-2714934,Na8Zn2In2Si3(SO8)3,-6.20891011,-2.256317496,0.1209289781,0.1209289781,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:In-Na-O-S-Si-Zn,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:In-Na-O-S-Si-Zn +mp-770489,Li6Cr3Fe(PO4)6,-7.5886143948,-2.5865382715000003,0.0419267681,0.0419267681,GGA+U,P1,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Cr-Fe-Li-O-P,40.0,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Cr-Fe-Li-O-P +mp-760796,Li7CrFe3(PO4)6,-7.3797812305,-2.5108564676,0.0556847325,0.0556847325,GGA+U,R3,AB3C7D24E6_hR123_146_a_3a_a2b_8b_2b:Cr-Fe-Li-O-P,41.0,"Invalid WP multiplicities - AB3C7D24E6_hR123_146_a_3a_a2b_24b_2b:Cr-Fe-Li-O-P, expected Li7CrFe3(PO12)6 to be Li7CrFe3(PO4)6" +mp-758409,Li5Cr2Fe3(PO4)6,-7.5889152733,-2.4523873479,0.100559839,0.100559839,GGA+U,P1,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Cr-Fe-Li-O-P,40.0,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Cr-Fe-Li-O-P +mp-780107,Li7Cr3Fe(PO4)6,-7.5131069507,-2.5864735898,0.0584609413,0.0584609413,GGA+U,R3,A3BC7D24E6_hR123_146_3a_a_a2b_8b_2b:Cr-Fe-Li-O-P,41.0,"Invalid WP multiplicities - A3BC7D24E6_hR123_146_3a_a_a4b_18b_2b:Cr-Fe-Li-O-P, expected Li13Cr3Fe(PO9)6 to be Li7Cr3Fe(PO4)6" +mp-1665188,Li2CrFe(PO4)2,-7.6782578571,-2.5110414917,0.0199136596,0.0199136596,GGA+U,P-1,ABC2D8E2_aP28_2_i_i_acfh_8i_2i:Cr-Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_aP28_2_i_i_acfh_10i_2i:Cr-Fe-Li-O-P, expected Li2CrFe(PO5)2 to be Li2CrFe(PO4)2" +mp-861527,Li2CrFe(PO4)2,-7.6787341575,-2.511517792,0.0194373593,0.0194373593,GGA+U,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Cr-Fe-Li-O-P,28.0,ABC2D8E2_mP28_11_e_e_ab_4e2f_2e:Cr-Fe-Li-O-P +mp-766014,Li6CrFe3(PO4)6,-7.44694376,-2.5040189497,0.0440929256,0.0440929256,GGA+U,P1,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Cr-Fe-Li-O-P,40.0,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Cr-Fe-Li-O-P +mp-1223507,Li5CrFe4(P2O7)5,-7.6487737617,-2.5515941871,0.0050865355,0.0050865355,GGA+U,P1,AB4C5D35E10_aP110_1_2a_8a_10a_70a_20a:Cr-Fe-Li-O-P,110.0,AB4C5D35E10_aP110_1_2a_8a_10a_70a_20a:Cr-Fe-Li-O-P +mp-780795,Li8CrFe7(PO4)12,-7.5014678787,-2.4144248906,0.0311714277,0.0311714277,GGA+U,P1,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Cr-Fe-Li-O-P,76.0,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Cr-Fe-Li-O-P +mp-761114,Li2Fe2Cu(PO4)3,-7.2639375692,-2.2410742253,0.1114255617,0.1114255617,GGA+U,C2,AB2C2D12E3_mC80_5_c_2c_abc_12c_ab2c:Cu-Fe-Li-O-P,40.0,"Invalid WP multiplicities - AB2C2D12E3_mC80_5_c_2c_abc_22c_ab2c:Cu-Fe-Li-O-P, expected Li2Fe2CuP3O22 to be Li2Fe2Cu(PO4)3" +mp-1177402,Li4FeCu3(PO4)4,-6.8645216096,-2.2501086777,0.0474994479,0.0474994479,GGA+U,Pm,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Cu-Fe-Li-O-P,28.0,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Cu-Fe-Li-O-P +mp-1177485,Li4Fe3Cu(PO4)4,-7.3238556586,-2.3972416881,0.0225831439,0.0225831439,GGA+U,Pm,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Cu-Fe-Li-O-P,28.0,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Cu-Fe-Li-O-P +mp-776209,Li5Fe3Cu2(PO4)6,-7.166301846,-2.3074659607,0.0799757323,0.0799757323,GGA+U,P1,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Cu-Fe-Li-O-P,40.0,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Cu-Fe-Li-O-P +mp-774262,Li6Cr3Cu(PO4)6,-7.4030369243,-2.5102311645,0.2767366315,0.2767366315,GGA+U,P1,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Cr-Cu-Li-O-P,40.0,A3BC6D24E6_aP40_1_3a_a_6a_24a_6a:Cr-Cu-Li-O-P +mp-1177097,Li8Fe7Cu(PO4)12,-7.3732849047,-2.3593187693,0.0303771441,0.0303771441,GGA+U,P1,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Cu-Fe-Li-O-P,76.0,AB7C8D48E12_aP76_1_a_7a_8a_48a_12a:Cu-Fe-Li-O-P +mp-773538,CrFe3Cu2(PO4)6,-7.5825666864,-2.1808481156,0.18570163,0.18570163,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Cr-Cu-Fe-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_22b_2b:Cr-Cu-Fe-O-P, expected CrFe3Cu2(PO11)6 to be CrFe3Cu2(PO4)6" +mp-776010,Cr2Fe3Cu(PO4)6,-7.8477318822,-2.2917399558,0.2924766301,0.2924766301,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Cr-Cu-Fe-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_22b_2b:Cr-Cu-Fe-O-P, expected Cr2Fe3Cu(PO11)6 to be Cr2Fe3Cu(PO4)6" +mp-758722,Li2FeCu(PO4)2,-7.0930347407,-2.3225212895,0.0361951893,0.0361951893,GGA+U,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Cu-Fe-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_mP28_11_e_e_ab_7e4f_3e:Cu-Fe-Li-O-P, expected Li2FeCu(PO5)3 to be Li2FeCu(PO4)2" +mp-769476,Li6Fe3Cu(PO4)6,-7.1969882835,-2.3929094932,0.0551771192,0.0551771192,GGA+U,P1,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Cu-Fe-Li-O-P,40.0,AB3C6D24E6_aP40_1_a_3a_6a_24a_6a:Cu-Fe-Li-O-P +mp-752698,Li2CrCu(PO4)2,-7.2524649786,-2.3974496517,0.3785425111,0.3785425111,GGA+U,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Cr-Cu-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_mP28_11_e_e_ab_7e4f_3e:Cr-Cu-Li-O-P, expected Li2CrCu(PO5)3 to be Li2CrCu(PO4)2" +mp-1177451,Li4Cr3Cu(PO4)4,-7.5335865293,-2.4802197452,0.3395801371,0.3395801371,GGA+U,Pm,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Cr-Cu-Li-O-P,28.0,A3BC4D16E4_mP28_6_a2b_a_2c_4a4b4c_2a2b:Cr-Cu-Li-O-P +mp-1177494,Li4CrFe3Cu2(PO4)6,-7.3641318493,-2.3116928488,0.2004831535,0.2004831535,GGA+U,P1,AB2C3D4E24F6_aP40_1_a_2a_3a_4a_24a_6a:Cr-Cu-Fe-Li-O-P,40.0,AB2C3D4E24F6_aP40_1_a_2a_3a_4a_24a_6a:Cr-Cu-Fe-Li-O-P +mp-2716137,Na6Sc2Al2Si3(SO8)3,-7.1086514705,-2.7212246107,0.1072147328,0.1072147328,GGA,P1,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:Al-Na-O-S-Sc-Si,120.0,A2B6C24D3E2F3_aP120_1_6a_18a_72a_9a_6a_9a:Al-Na-O-S-Sc-Si +mp-2713283,Na2ScAlSi(SO6)2,-7.1554512309,-2.6406313456,0.0886047238,0.0886047238,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-S-Sc-Si,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-S-Sc-Si +mp-2714328,Na4ScAlSi2SO12,-7.0631701039,-2.7910036005,0.0986016043,0.0986016043,GGA,P1,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:Al-Na-O-S-Sc-Si,126.0,AB4C12DEF2_aP126_1_6a_24a_72a_6a_6a_12a:Al-Na-O-S-Sc-Si +mp-2714241,Na2Sc4Al4SiS11O48,-7.2242801097,-2.4910721806,0.0467429238,0.0467429238,GGA,P1,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:Al-Na-O-S-Sc-Si,210.0,A4B2C48D11E4F_aP210_1_12a_6a_144a_33a_12a_3a:Al-Na-O-S-Sc-Si +mp-2715150,Na10Sc4Al4Si5S7O48,-7.1279960697,-2.6785059411,0.1016036022,0.1016036022,GGA,P1,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:Al-Na-O-S-Sc-Si,234.0,A4B10C48D7E4F5_aP234_1_12a_30a_144a_21a_12a_15a:Al-Na-O-S-Sc-Si +mp-2714380,Na2Sc2Al2SiS5O24,-7.1962745329,-2.5399068414,0.0691972344,0.0691972344,GGA,P1,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:Al-Na-O-S-Sc-Si,108.0,A2B2C24D5E2F_aP108_1_6a_6a_72a_15a_6a_3a:Al-Na-O-S-Sc-Si +mp-2713834,Na6Sc4Al4Si3(S3O16)3,-7.1879459531,-2.6042649729000003,0.0713477051,0.0713477051,GGA,P1,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:Al-Na-O-S-Sc-Si,222.0,A4B6C48D9E4F3_aP222_1_12a_18a_144a_27a_12a_9a:Al-Na-O-S-Sc-Si +mp-2713743,ScAl(SO4)3,-7.2567344151,-2.4421662345,0.0161316386,0.0161316386,GGA,P321,AB12C3D_hP102_150_3d_12g_ef2g_2cd:Al-O-S-Sc,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_5d_20g_ef4g_3cd:Al-O-S-Sc, expected Sc4Al5(SO4)15 to be ScAl(SO4)3" +mp-2715763,Na14Sc4Al4Si7S5O48,-7.0877417287,-2.7593506612,0.1089844555,0.1089844555,GGA,P1,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:Al-Na-O-S-Sc-Si,246.0,A4B14C48D5E4F7_aP246_1_12a_42a_144a_15a_12a_21a:Al-Na-O-S-Sc-Si +mp-2716187,Na2Nb4Al4Si5S7O48,-7.6109338477,-2.5887142559000003,0.079609587,0.079609587,GGA,P1,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:Al-Na-Nb-O-S-Si,210.0,A4B2C4D48E7F5_aP210_1_12a_6a_12a_144a_21a_15a:Al-Na-Nb-O-S-Si +mp-2715538,Na2Nb3AlSi4(SO12)2,-7.9419904544,-2.792289275,0.067910305,0.067910305,GGA,P1,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:Al-Na-Nb-O-S-Si,108.0,AB2C3D24E2F4_aP108_1_3a_6a_9a_72a_6a_12a:Al-Na-Nb-O-S-Si +mp-2713417,Na2Nb2Al2Si3(SO8)3,-7.5853062551,-2.6479550027,0.0928196316,0.0928196316,GGA,P1,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Al-Na-Nb-O-S-Si,108.0,A2B2C2D24E3F3_aP108_1_6a_6a_6a_72a_9a_9a:Al-Na-Nb-O-S-Si +mp-2716557,Na6Nb3Al5Si6(SO8)6,-7.4054179371,-2.6516529161,0.0952316094,0.0952316094,GGA,P1,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:Al-Na-Nb-O-S-Si,222.0,A5B6C3D48E6F6_aP222_1_15a_18a_9a_144a_18a_18a:Al-Na-Nb-O-S-Si +mp-2713429,Na10Nb7Al(SiO4)12,-7.9921318711,-2.9892493256,0.0386614157,0.0386614157,GGA,P1,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:Al-Na-Nb-O-Si,234.0,AB10C7D48E12_aP234_1_3a_30a_21a_144a_36a:Al-Na-Nb-O-Si +mp-2712776,Na2NbAlSi2SO12,-7.5259464918,-2.7449316539,0.1208806119,0.1208806119,GGA,Cc,AB2CD12EF2_mC76_9_a_2a_a_12a_a_2a:Al-Na-Nb-O-S-Si,114.0,"Invalid WP multiplicities - AB2CD12EF2_mC76_9_a_2a_a_72a_a_12a:Al-Na-Nb-O-S-Si, expected Na2NbAlSi12SO72 to be Na2NbAlSi2SO12" +mp-2713477,NbAlSi(SO6)2,-7.6306844345,-2.5186042481,0.0534220101,0.0534220101,GGA,Cc,ABC12D2E_mC204_9_3a_3a_36a_6a_3a:Al-Nb-O-S-Si,102.0,"Invalid WP multiplicities - ABC12D2E_mC204_9_3a_3a_60a_9a_3a:Al-Nb-O-S-Si, expected NbAlSiS3O20 to be NbAlSi(SO6)2" +mp-2714319,Na10Nb4Al4Si9(SO16)3,-7.5040036277,-2.7951440582,0.1141207824,0.1141207824,GGA,P1,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:Al-Na-Nb-O-S-Si,234.0,A4B10C4D48E3F9_aP234_1_12a_30a_12a_144a_9a_27a:Al-Na-Nb-O-S-Si +mp-2715286,Na6Nb3Al(SiO4)6,-7.797422047299999,-2.9659950483,0.0446748029,0.0446748029,GGA,P1,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:Al-Na-Nb-O-Si,120.0,AB6C3D24E6_aP120_1_3a_18a_9a_72a_18a:Al-Na-Nb-O-Si +mp-2715520,Na6Nb3Al(SiO4)6,-7.7956442956,-2.9642172966,0.0464525546,0.0464525546,GGA,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Al-Na-Nb-O-Si,80.0,"Invalid WP multiplicities - AB6C3D24E6_aP40_1_a_12a_6a_48a_12a:Al-Na-Nb-O-Si, expected Na12Nb6Al(SiO4)12 to be Na6Nb3Al(SiO4)6" +mp-2715803,Na8NbAl3Si5SO24,-7.145933489,-2.8149381566,0.0923970534,0.0923970534,GGA,P1,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:Al-Na-Nb-O-S-Si,126.0,A3B8CD24EF5_aP126_1_9a_24a_3a_72a_3a_15a:Al-Na-Nb-O-S-Si +mp-2713785,Na2Nb5Al3Si6(SO8)6,-7.7900573219,-2.6586291962,0.0683352713,0.0683352713,GGA,P1,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:Al-Na-Nb-O-S-Si,210.0,A3B2C5D48E6F6_aP210_1_9a_6a_15a_144a_18a_18a:Al-Na-Nb-O-S-Si +mp-2716291,Na2Nb2Al6Si3(S3O16)3,-7.2877213252,-2.4839188013,0.0610354954,0.0610354954,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Al-Na-Nb-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Al-Na-Nb-O-S-Si +mp-2714415,Na6NbAl3Si4(SO12)2,-7.1798067428,-2.7306096124,0.1242849068,0.1242849068,GGA,P1,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:Al-Na-Nb-O-S-Si,120.0,A3B6CD24E2F4_aP120_1_9a_18a_3a_72a_6a_12a:Al-Na-Nb-O-S-Si +mp-2715801,Na2Nb6Al2Si7S5O48,-7.9688541841,-2.7282175246,0.0563272392,0.0563272392,GGA,P1,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:Al-Na-Nb-O-S-Si,210.0,A2B2C6D48E5F7_aP210_1_6a_6a_18a_144a_15a_21a:Al-Na-Nb-O-S-Si +mp-2713733,Nb3AlSi3(SO8)3,-7.9916622178,-2.6547409322,0.0352872376,0.0352872376,GGA,P1,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:Al-Nb-O-S-Si,102.0,AB3C24D3E3_aP102_1_3a_9a_72a_9a_9a:Al-Nb-O-S-Si +mp-2716473,Na10Nb6Al2Si11SO48,-7.8315386681,-2.9266637813000003,0.0664796021,0.0664796021,GGA,P1,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:Al-Na-Nb-O-S-Si,234.0,A2B10C6D48EF11_aP234_1_6a_30a_18a_144a_3a_33a:Al-Na-Nb-O-S-Si +mp-2712990,Na6Nb6Al2Si9(SO16)3,-7.9030381384,-2.8393570077,0.0818233846,0.0818233846,GGA,P1,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:Al-Na-Nb-O-S-Si,222.0,A2B6C6D48E3F9_aP222_1_6a_18a_18a_144a_9a_27a:Al-Na-Nb-O-S-Si +mp-2714887,Na14Nb2Al6Si9(SO16)3,-7.1577457228,-2.7690909767000003,0.1207804775,0.1207804775,GGA,P1,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:Al-Na-Nb-O-S-Si,246.0,A6B14C2D48E3F9_aP246_1_18a_42a_6a_144a_9a_27a:Al-Na-Nb-O-S-Si +mp-2715964,Na6Nb2Al6Si5S7O48,-7.2401335767,-2.5896739256,0.0978534025,0.0978534025,GGA,P1,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:Al-Na-Nb-O-S-Si,222.0,A6B6C2D48E7F5_aP222_1_18a_18a_6a_144a_21a_15a:Al-Na-Nb-O-S-Si +mp-2716384,Na4NbAl(SiO4)3,-7.4330206625,-2.9200111068,0.052731867,0.052731867,GGA,R3c,AB4CD12E3_hR126_161_a_ab_a_4b_b:Al-Na-Nb-O-Si,126.0,"Invalid WP multiplicities - AB4CD12E3_hR126_161_a_ab_a_12b_b:Al-Na-Nb-O-Si, expected Na4NbAl(SiO12)3 to be Na4NbAl(SiO4)3" +mp-2714559,Na14Nb4Al4Si11SO48,-7.4633898753,-2.8882815348,0.070036857,0.070036857,GGA,P1,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:Al-Na-Nb-O-S-Si,246.0,A4B14C4D48EF11_aP246_1_12a_42a_12a_144a_3a_33a:Al-Na-Nb-O-S-Si +mp-2713952,Na6Nb2Al2Si5SO24,-7.4863631295,-2.8460510648,0.0956415569,0.0956415569,GGA,P1,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:Al-Na-Nb-O-S-Si,120.0,A2B6C2D24EF5_aP120_1_6a_18a_6a_72a_3a_15a:Al-Na-Nb-O-S-Si +mp-2713455,Na10NbAl7Si6(SO8)6,-7.0559996309,-2.6411630372,0.1122251562,0.1122251562,GGA,P1,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:Al-Na-Nb-O-S-Si,234.0,A7B10CD48E6F6_aP234_1_21a_30a_3a_144a_18a_18a:Al-Na-Nb-O-S-Si +mp-2712938,Na6Nb4Al4Si7S5O48,-7.5707880587,-2.7137176679,0.0912654799,0.0912654799,GGA,P1,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:Al-Na-Nb-O-S-Si,222.0,A4B6C4D48E5F7_aP222_1_12a_18a_12a_144a_15a_21a:Al-Na-Nb-O-S-Si +mp-2712833,Na14Nb5Al3(SiO4)12,-7.6105226954,-2.9421875576,0.0498128546,0.0498128546,GGA,P1,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:Al-Na-Nb-O-Si,246.0,A3B14C5D48E12_aP246_1_9a_42a_15a_144a_36a:Al-Na-Nb-O-Si +mp-2712714,Na2NbAl3Si2(SO6)4,-7.2725440042,-2.5475426788,0.0738070097,0.0738070097,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Al-Na-Nb-O-S-Si,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Al-Na-Nb-O-S-Si +mp-2712850,NbAl3SiS5O24,-7.2933430599,-2.4061039727,0.0479203739,0.0479203739,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Al-Nb-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Al-Nb-O-S-Si +mp-2715965,Na10Nb2Al6Si7S5O48,-7.2047196208,-2.6918753685,0.1178260635,0.1178260635,GGA,P1,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:Al-Na-Nb-O-S-Si,234.0,A6B10C2D48E5F7_aP234_1_18a_30a_6a_144a_15a_21a:Al-Na-Nb-O-S-Si +mp-2715122,Na4Nb3AlSi5SO24,-7.8655589892,-2.8833705363,0.0788293487,0.0788293487,GGA,P1,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:Al-Na-Nb-O-S-Si,114.0,AB4C3D24EF5_aP114_1_3a_12a_9a_72a_3a_15a:Al-Na-Nb-O-S-Si +mp-2713713,Na4NbAl3Si3(SO8)3,-7.229192292,-2.6493510693,0.1008708648,0.1008708648,GGA,P1,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:Al-Na-Nb-O-S-Si,114.0,A3B4CD24E3F3_aP114_1_9a_12a_3a_72a_9a_9a:Al-Na-Nb-O-S-Si +mp-1218787,Sr4CeY3Cu4(RuO10)2,-7.3827818365,-2.5013147102,0.0573735397,0.0573735397,GGA,P4mm,AB4C20D2E4F3_tP34_99_a_2a2b_2a2b8c_ab_2a2b_a2b:Ce-Cu-O-Ru-Sr-Y,34.0,"Invalid WP multiplicities - AB4C20D2E4F3_tP34_99_a_2a2b_2a2b15c_ab_2a2b_a2b:Ce-Cu-O-Ru-Sr-Y, expected Sr4CeY3Cu4(RuO17)2 to be Sr4CeY3Cu4(RuO10)2" +mp-1218854,Sr2CeYCu2RuO10,-7.4137397294,-2.5479603078,0.0426609776,0.0426609776,GGA,I4mm,AB2C10DE2F_tI34_107_a_2a_2a4b_a_2a_a:Ce-Cu-O-Ru-Sr-Y,17.0,AB2C10DE2F_tI34_107_a_2a_2a4b_a_2a_a:Ce-Cu-O-Ru-Sr-Y +mp-1226542,CeYCu4,-4.9993303633,-0.1999325386,0.018058305,0.018058305,GGA,Imm2,AB4C_oI12_44_a_2c_b:Ce-Cu-Y,6.0,"Invalid WP multiplicities - AB4C_oI12_44_a_3c_b:Ce-Cu-Y, expected CeYCu6 to be CeYCu4" +mp-2715526,NaTaSi2GeSO12,-7.7652389992,-2.645756708,0.0685203777,0.0685203777,GGA,Cc,ABC12DE2F_mC72_9_a_a_12a_a_2a_a:Ge-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - ABC12DE2F_mC72_9_a_a_60a_a_7a_a:Ge-Na-O-S-Si-Ta, expected NaTaSi7GeSO60 to be NaTaSi2GeSO12" +mp-2716515,Na10Ta4Si11Ge4SO48,-7.6762781611,-2.7992976328,0.0701193491,0.0701193491,GGA,P1,A4B10C48DE11F4_aP234_1_12a_30a_144a_3a_33a_12a:Ge-Na-O-S-Si-Ta,234.0,A4B10C48DE11F4_aP234_1_12a_30a_144a_3a_33a_12a:Ge-Na-O-S-Si-Ta +mp-2713049,Na6Ta4Si9Ge4(SO16)3,-7.7345457236,-2.7002667545,0.0879007551,0.0879007551,GGA,P1,A4B6C48D3E9F4_aP222_1_12a_18a_144a_9a_27a_12a:Ge-Na-O-S-Si-Ta,222.0,A4B6C48D3E9F4_aP222_1_12a_18a_144a_9a_27a_12a:Ge-Na-O-S-Si-Ta +mp-2715053,Na4Ta2Si5Ge2SO24,-7.7014220867,-2.7478620543,0.0998500562,0.0998500562,GGA,P1,A2B4C24DE5F2_aP114_1_6a_12a_72a_3a_15a_6a:Ge-Na-O-S-Si-Ta,114.0,A2B4C24DE5F2_aP114_1_6a_12a_72a_3a_15a_6a:Ge-Na-O-S-Si-Ta +mp-2713765,NaTaSi3Ge3(SO8)3,-7.323853496,-2.3394186603,0.0833022201,0.0833022201,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ge-Na-O-S-Si-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ge-Na-O-S-Si-Ta +mp-2713784,Ta2Si3Ge2(SO8)3,-7.7736465201,-2.4687217045,0.0321233809,0.0321233809,GGA,P1,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Ge-O-S-Si-Ta,102.0,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Ge-O-S-Si-Ta +mp-2715708,Na2Ta4Si7Ge4S5O48,-7.7686448723,-2.5590904978,0.0695387237,0.0695387237,GGA,P1,A4B2C48D5E7F4_aP210_1_12a_6a_144a_15a_21a_12a:Ge-Na-O-S-Si-Ta,210.0,A4B2C48D5E7F4_aP210_1_12a_6a_144a_15a_21a_12a:Ge-Na-O-S-Si-Ta +mp-1234758,Cs4MgMn4H16(Cl3O2)4,-5.013566436,-1.5053549463,0.1030205274,0.1030205274,GGA+U,P2,A12B4C16DE4F8_mP45_3_6e_2e_8e_a_abcd_4e:Cl-Cs-H-Mg-Mn-O,45.0,"Invalid WP multiplicities - A12B4C16DE4F8_mP45_3_8e_2e_12e_a_abcd_6e:Cl-Cs-H-Mg-Mn-O, expected Cs4MgMn4H24(Cl4O3)4 to be Cs4MgMn4H16(Cl3O2)4" +mp-729389,Mg2MnH24(ClO2)6,-5.1064803947,-1.4567140621,0.00202563,0.00202563,GGA+U,P31c,A6B24C2DE12_hP90_159_2c_8c_ab_b_4c:Cl-H-Mg-Mn-O,90.0,A6B24C2DE12_hP90_159_2c_8c_ab_b_4c:Cl-H-Mg-Mn-O +mp-1202031,CsMnH4Cl3O2,-5.1482811436,-1.5967075758,0.0,-0.0127414139,GGA+U,Pcca,A3BC4DE2_oP44_54_df_e_2f_c_f:Cl-Cs-H-Mn-O,44.0,A3BC4DE2_oP44_54_df_e_2f_c_f:Cl-Cs-H-Mn-O +mp-721171,CsMgH12(ClO2)3,-4.924459662,-1.5142797833,0.0,-0.0043236735,GGA,P1,A3BC12DE6_aP46_1_6a_2a_24a_2a_12a:Cl-Cs-H-Mg-O,46.0,A3BC12DE6_aP46_1_6a_2a_24a_2a_12a:Cl-Cs-H-Mg-O +mp-2715632,Na7La2Al2SiP5O24,-7.2728791841,-2.9354839997,0.0804263427,0.0804263427,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-La-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-La-Na-O-P-Si +mp-2715371,Na3LaAl(PO4)3,-7.345578,-2.9331114565,0.075055254,0.075055254,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-La-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Al-La-Na-O-P +mp-2715298,Na3LaAl(PO4)3,-7.3563130787,-2.9438465351,0.0643201753,0.0643201753,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-La-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Al-La-Na-O-P +mp-2714351,Na4LaAlSi(PO6)2,-7.1830561717,-2.91715752,0.10612771,0.10612771,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-La-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Al-La-Na-O-P-Si +mp-2231186,Rb2MgMo2P2(ClO5)2,-7.0545338242,-2.3575225684,0.1299780666,0.1299780666,GGA+U,Cm,A2BC2D10E2F2_mC38_8_2a_a_2a_2a4b_b_b:Cl-Mg-Mo-O-P-Rb,19.0,"Invalid WP multiplicities - A2BC2D10E2F2_mC38_8_2a_a_2a_2a7b_b_b:Cl-Mg-Mo-O-P-Rb, expected Rb2MgMo2P2(ClO8)2 to be Rb2MgMo2P2(ClO5)2" +mp-555152,RbMoPClO5,-7.2278821117,-2.3588302333,0.0,-0.0242054734,GGA+U,P4/nmm,ABC5DE_tP18_129_c_c_ci_a_b:Cl-Mo-O-P-Rb,18.0,"Invalid WP multiplicities - ABC5DE_tP18_129_c_c_2c3i_a_b:Cl-Mo-O-P-Rb, expected RbMoPClO14 to be RbMoPClO5" +mp-554819,MgP4(Cl5O3)2,-5.3321721281,-1.9312678927,0.0,-0.0242813459,GGA,P-1,A10BC6D4_aP42_2_10i_i_6i_4i:Cl-Mg-O-P,42.0,"Invalid WP multiplicities - A10BC6D4_aP42_2_19i_i_9i_7i:Cl-Mg-O-P, expected MgP7Cl19O9 to be MgP4(Cl5O3)2" +mp-555396,Mg2PClO4,-6.6813206812,-2.9001764173,0.0159483937,0.0159483937,GGA,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cl-Mg-O-P,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_4a_15a_a:Cl-Mg-O-P, expected Mg4PClO15 to be Mg2PClO4" +mp-1214571,Ba2YCoCu2O7,-6.8570334215,-2.2233431825,0.0401337653,0.0401337653,GGA+U,Pmmm,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Y,13.0,A2BC2D7E_oP13_47_k_c_j_aijl_f:Ba-Co-Cu-O-Y +mp-505589,BaYFeCuO5,-7.5449470289,-2.46848953,0.0103603875,0.0103603875,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cu-Fe-O-Y +mp-1228789,Ba6Y3Co3(Cu3O11)2,-6.8430675475000005,-2.2015523467,0.04702337,0.04702337,GGA+U,P-1,A6B3C6D22E3_aP40_2_3i_bi_3i_11i_di:Ba-Co-Cu-O-Y,40.0,"Invalid WP multiplicities - A6B3C6D22E3_aP40_2_6i_bi_5i_19i_di:Ba-Co-Cu-O-Y, expected Ba12Y3Co3(Cu5O19)2 to be Ba6Y3Co3(Cu3O11)2" +mp-1228469,Ba2Y2Co3CuO10,-7.4498216394,-2.3574916798,0.0515701511,0.0515701511,GGA+U,I4mm,A2B3CD10E2_tI36_107_b_3a_a_2a2c_b:Ba-Co-Cu-O-Y,18.0,A2B3CD10E2_tI36_107_b_3a_a_2a2c_b:Ba-Co-Cu-O-Y +mp-1228200,Ba2Y2FeCo2CuO10,-7.58149595,-2.4135158006,0.0513593463,0.0513593463,GGA+U,I4mm,A2B2CDE10F2_tI36_107_b_2a_a_a_2a2c_b:Ba-Co-Cu-Fe-O-Y,18.0,A2B2CDE10F2_tI36_107_b_2a_a_a_2a2c_b:Ba-Co-Cu-Fe-O-Y +mp-1042471,BaYCoCuO5,-7.26154663,-2.3363895106,0.0390106752,0.0390106752,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Co-Cu-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Co-Cu-O-Y +mp-1227472,BaYCoCuO5,-7.2712285339,-2.3460714145,0.0293287713,0.0293287713,GGA+U,P4/nmm,ABCD5E_tP18_129_a_c_c_cj_b:Ba-Co-Cu-O-Y,18.0,ABCD5E_tP18_129_a_c_c_cj_b:Ba-Co-Cu-O-Y +mp-1228213,Ba4Y2FeCu5O14,-6.7981344454,-2.2278060414,0.0505565401,0.0505565401,GGA+U,C2/m,A4B5CD14E2_mC52_12_j_a2g_b_2g2hij_f:Ba-Cu-Fe-O-Y,26.0,"Invalid WP multiplicities - A4B5CD14E2_mC52_12_j_a3g_b_3g4hi2j_e:Ba-Cu-Fe-O-Y, expected Ba4Y2FeCu7O24 to be Ba4Y2FeCu5O14" +mp-2715772,Na4GaSi2SnPO12,-6.7698677154,-2.5816785653,0.0545314213,0.0545314213,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ga-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Ga-Na-O-P-Si-Sn, expected Na19GaSi12SnPO72 to be Na4GaSi2SnPO12" +mp-2713694,Na2GaSn(PO4)3,-7.025717176,-2.5371439907,0.0248098796,0.0248098796,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ga-Na-O-P-Sn,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ga-Na-O-P-Sn, expected Na2GaSn(PO4)18 to be Na2GaSn(PO4)3" +mp-2714781,Na3GaSn3(PO4)6,-7.130732591,-2.53006417,0.0170545628,0.0170545628,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Sn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Ga-Na-O-P-Sn +mp-2716007,Na5Ga2SiSn2P5O24,-6.9545402487,-2.5468396883,0.0438136823,0.0438136823,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-Si-Sn +mp-2715486,Na3GaSiSn(PO6)2,-6.8922886854000005,-2.5614171186,0.0565007773,0.0565007773,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ga-Na-O-P-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Ga-Na-O-P-Si-Sn, expected Na14Ga3Si3Sn3(P5O36)2 to be Na3GaSiSn(PO6)2" +mp-2715317,Na3GaSiSn(PO6)2,-6.89011846,-2.5592468932,0.0586710028,0.0586710028,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ga-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ga-Na-O-P-Si-Sn, expected Na3GaSiSn(PO15)2 to be Na3GaSiSn(PO6)2" +mp-2714733,Na7Ga2Si3Sn2(PO8)3,-6.8341135421,-2.5763232131,0.0554358235,0.0554358235,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Sn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ga-Na-O-P-Si-Sn +mp-2713216,Na5Ga3Sn(PO4)6,-6.9289542211,-2.546727798,0.0293004335,0.0293004335,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Sn,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:Ga-Na-O-P-Sn +mp-2715656,Na8ZnSi5Ge3SO24,-6.6304970289,-2.4473399191,0.1050272575,0.1050272575,GGA,P1,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Ge-Na-O-S-Si-Zn,126.0,A3B8C24DE5F_aP126_1_9a_24a_72a_3a_15a_3a:Ge-Na-O-S-Si-Zn +mp-2714516,Na6ZnSi4Ge3(SO12)2,-6.6253392687,-2.3313722722,0.1627968165,0.1627968165,GGA,P1,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Ge-Na-O-S-Si-Zn,120.0,A3B6C24D2E4F_aP120_1_9a_18a_72a_6a_12a_3a:Ge-Na-O-S-Si-Zn +mp-2714860,Na14Zn2Si9Ge6(SO16)3,-6.6305049798,-2.3932942668,0.1313800563,0.1313800563,GGA,P1,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Ge-Na-O-S-Si-Zn,246.0,A6B14C48D3E9F2_aP246_1_18a_42a_144a_9a_27a_6a:Ge-Na-O-S-Si-Zn +mp-2713000,ZnSiGe3S5O24,-6.5877716459,-1.8831562456,0.0335413997,0.0335413997,GGA,P1,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Ge-O-S-Si-Zn,102.0,A3B24C5DE_aP102_1_9a_72a_15a_3a_3a:Ge-O-S-Si-Zn +mp-2715123,Na6Zn7Ge(SO4)12,-6.1089849052,-1.9406762373,0.0269644184,0.0269644184,GGA,P1,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ge-Na-O-S-Zn,222.0,AB6C48D12E7_aP222_1_3a_18a_144a_36a_21a:Ge-Na-O-S-Zn +mp-2714557,Na2Zn2SiGe2S5O24,-6.3978605976,-1.9745636545,0.082042713,0.082042713,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ge-Na-O-S-Si-Zn,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ge-Na-O-S-Si-Zn +mp-2713547,Na6Zn6SiGe2S11O48,-6.20367426,-1.9724986676,0.0607266452,0.0607266452,GGA,P1,A2B6C48D11EF6_aP222_1_6a_18a_144a_33a_3a_18a:Ge-Na-O-S-Si-Zn,222.0,A2B6C48D11EF6_aP222_1_6a_18a_144a_33a_3a_18a:Ge-Na-O-S-Si-Zn +mp-2715984,Na14Zn6Si5Ge2S7O48,-6.1899686269,-2.1796921776,0.1653770551,0.1653770551,GGA,P1,A2B14C48D7E5F6_aP246_1_6a_42a_144a_21a_15a_18a:Ge-Na-O-S-Si-Zn,246.0,A2B14C48D7E5F6_aP246_1_6a_42a_144a_21a_15a_18a:Ge-Na-O-S-Si-Zn +mp-2714530,Na4ZnSi2GeSO12,-6.3875099864,-2.3151184102,0.1518143282,0.1518143282,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ge-Na-O-S-Si-Zn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Ge-Na-O-S-Si-Zn, expected Na14ZnSi7GeSO60 to be Na4ZnSi2GeSO12" +mp-2712603,Na2ZnSi2Ge3(SO6)4,-6.6347842296,-2.0822608308,0.1091584432,0.1091584432,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ge-Na-O-S-Si-Zn,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ge-Na-O-S-Si-Zn +mp-2716013,Na6Zn2Si5Ge6S7O48,-6.6234954717,-2.1408521815,0.15471176,0.15471176,GGA,P1,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Ge-Na-O-S-Si-Zn,222.0,A6B6C48D7E5F2_aP222_1_18a_18a_144a_21a_15a_6a:Ge-Na-O-S-Si-Zn +mp-2716474,Na6ZnSi6Ge7(SO8)6,-6.7600662996,-2.214556085,0.1465925137,0.1465925137,GGA,P1,A7B6C48D6E6F_aP222_1_21a_18a_144a_18a_18a_3a:Ge-Na-O-S-Si-Zn,222.0,A7B6C48D6E6F_aP222_1_21a_18a_144a_18a_18a_3a:Ge-Na-O-S-Si-Zn +mp-1190399,Na2Zn(GeS3)2,-4.4348439845,-0.9830667929,0.0,-0.0066840868,GGA,Cc,A2B2C6D_mC44_9_2a_2a_6a_a:Ge-Na-S-Zn,22.0,A2B2C6D_mC44_9_2a_2a_6a_a:Ge-Na-S-Zn +mp-2715087,Na10Zn4Si5Ge4S7O48,-6.3732031288,-2.1388552294,0.1916961584,0.1916961584,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ge-Na-O-S-Si-Zn,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ge-Na-O-S-Si-Zn +mp-2714847,Na2Zn5Ge3(SO4)12,-6.2712260195,-1.8442073232,0.021699425,0.021699425,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Ge-Na-O-S-Zn,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:Ge-Na-O-S-Zn +mp-2716538,Na2Zn2Si3Ge6(S3O16)3,-6.6173755676,-1.9909789109,0.0829248929,0.0829248929,GGA,P1,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Ge-Na-O-S-Si-Zn,210.0,A6B2C48D9E3F2_aP210_1_18a_6a_144a_27a_9a_6a:Ge-Na-O-S-Si-Zn +mp-2714903,Na10Zn6Si3Ge2(S3O16)3,-6.2044741326,-2.0894121924,0.1230940155,0.1230940155,GGA,P1,A2B10C48D9E3F6_aP234_1_6a_30a_144a_27a_9a_18a:Ge-Na-O-S-Si-Zn,234.0,A2B10C48D9E3F6_aP234_1_6a_30a_144a_27a_9a_18a:Ge-Na-O-S-Si-Zn +mp-2714167,Na10Zn2Si7Ge6S5O48,-6.6366618254,-2.2830279669,0.1655686008,0.1655686008,GGA,P1,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Ge-Na-O-S-Si-Zn,234.0,A6B10C48D5E7F2_aP234_1_18a_30a_144a_15a_21a_6a:Ge-Na-O-S-Si-Zn +mp-2716219,Na6Zn2Si3Ge2(SO8)3,-6.3848800747,-2.2072168884,0.1897313704,0.1897313704,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ge-Na-O-S-Si-Zn,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ge-Na-O-S-Si-Zn +mp-2714955,Na8Zn3Si3Ge(SO8)3,-6.201539159,-2.2399131164,0.1393860381,0.1393860381,GGA,P1,AB8C24D3E3F3_aP126_1_3a_24a_72a_9a_9a_9a:Ge-Na-O-S-Si-Zn,126.0,AB8C24D3E3F3_aP126_1_3a_24a_72a_9a_9a_9a:Ge-Na-O-S-Si-Zn +mp-2713496,Na10Zn3Si6Ge5(SO8)6,-6.5065378592,-2.2125469802,0.1770269975,0.1770269975,GGA,P1,A5B10C48D6E6F3_aP234_1_15a_30a_144a_18a_18a_9a:Ge-Na-O-S-Si-Zn,234.0,A5B10C48D6E6F3_aP234_1_15a_30a_144a_18a_18a_9a:Ge-Na-O-S-Si-Zn +mp-2713391,Na4Zn3SiGeS5O24,-6.2032540405,-2.0316630854,0.101279369,0.101279369,GGA,P1,AB4C24D5EF3_aP114_1_3a_12a_72a_15a_3a_9a:Ge-Na-O-S-Si-Zn,114.0,AB4C24D5EF3_aP114_1_3a_12a_72a_15a_3a_9a:Ge-Na-O-S-Si-Zn +mp-2713596,Na4ZnSi3Ge3(SO8)3,-6.6197714558000005,-2.203330374,0.1784812027,0.1784812027,GGA,P1,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Ge-Na-O-S-Si-Zn,114.0,A3B4C24D3E3F_aP114_1_9a_12a_72a_9a_9a_3a:Ge-Na-O-S-Si-Zn +mp-2715672,Na14Zn4Si7Ge4S5O48,-6.4155769699,-2.2918333887,0.14349988,0.14349988,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ge-Na-O-S-Si-Zn,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ge-Na-O-S-Si-Zn +mp-2714242,Na14Zn5Si6Ge3(SO8)6,-6.2918415628,-2.2248315476,0.1655221597,0.1655221597,GGA,P1,A3B14C48D6E6F5_aP246_1_9a_42a_144a_18a_18a_15a:Ge-Na-O-S-Si-Zn,246.0,A3B14C48D6E6F5_aP246_1_9a_42a_144a_18a_18a_15a:Ge-Na-O-S-Si-Zn +mp-2712616,Na6Zn3Si2Ge(SO6)4,-6.2016857563,-2.1403263803,0.1415278281,0.1415278281,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ge-Na-O-S-Si-Zn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ge-Na-O-S-Si-Zn +mp-2714112,Na2Zn4SiGe4S11O48,-6.381705779,-1.8882277625,0.0470113375,0.0470113375,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ge-Na-O-S-Si-Zn,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ge-Na-O-S-Si-Zn +mp-2714302,Na2Zn3Ge(SO4)6,-6.1925572569,-1.8984867695,0.0233066916,0.0233066916,GGA,P3,AB2C24D6E3_hP108_143_2ab_2a2b2c_24d_6d_2a3b4c:Ge-Na-O-S-Zn,108.0,AB2C24D6E3_hP108_143_2ab_2a2b2c_24d_6d_2a3b4c:Ge-Na-O-S-Zn +mp-2713769,Na6Zn4Si3Ge4(S3O16)3,-6.4090023556,-2.0520929144,0.1123017128,0.1123017128,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ge-Na-O-S-Si-Zn,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ge-Na-O-S-Si-Zn +mp-2713588,Na2ZnSiGe(SO6)2,-6.3806421965,-2.086626178,0.1740337667,0.1740337667,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Ge-Na-O-S-Si-Zn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Ge-Na-O-S-Si-Zn, expected Na2ZnSiGeS3O20 to be Na2ZnSiGe(SO6)2" +mp-1228946,Ba10MgMn3V8(Cl3O7)4,-7.290842781,-2.7483097532,0.0062817982,0.0062817982,GGA+U,P2,A10B12CD3E28F8_mP62_3_ab4e_6e_c_de_14e_4e:Ba-Cl-Mg-Mn-O-V,62.0,A10B12CD3E28F8_mP62_3_ab4e_6e_c_de_14e_4e:Ba-Cl-Mg-Mn-O-V +mp-1214612,Ba5MgMnV4(Cl3O7)2,-7.2001265252,-2.779556969,0.0070185274,0.0070185274,GGA+U,P2/c,A5B6CDE14F4_mP62_13_e2g_3g_f_a_7g_2g:Ba-Cl-Mg-Mn-O-V,62.0,A5B6CDE14F4_mP62_13_e2g_3g_f_a_7g_2g:Ba-Cl-Mg-Mn-O-V +mp-753744,Li4MnCu3(PO4)4,-6.9353865543,-2.296259548,0.0397317572,0.0397317572,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cu-Li-Mn-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Cu-Li-Mn-O-P +mp-757721,Li4Mn3Cu(PO4)4,-7.5200128404,-2.5192566468,0.0157177242,0.0157177242,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cu-Li-Mn-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Cu-Li-Mn-O-P +mp-887355,Li7MnCo3(PO4)6,-7.1079339834,-2.3506224504,0.1115125919,0.1115125919,GGA+U,R3,A3B7CD24E6_hR123_146_3a_a2b_a_8b_2b:Co-Li-Mn-O-P,41.0,"Invalid WP multiplicities - A3B7CD24E6_hR123_146_3a_a5b_a_24b_6b:Co-Li-Mn-O-P, expected Li16MnCo3(PO4)18 to be Li7MnCo3(PO4)6" +mp-757489,Li4CoCu3(PO4)4,-6.7955448032,-2.2297641361,0.049788863,0.049788863,GGA+U,Pm,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Cu-Li-O-P,28.0,AB3C4D16E4_mP28_6_a_a2b_2c_4a4b4c_2a2b:Co-Cu-Li-O-P +mp-758017,Li4Mn3Co(PO4)4,-7.6716936218,-2.5634691738,0.014558424,0.014558424,GGA+U,Pm,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Co-Li-Mn-O-P,28.0,AB4C3D16E4_mP28_6_a_2c_a2b_4a4b4c_2a2b:Co-Li-Mn-O-P +mp-758211,Li4Mn2Co3Cu3O16,-6.4229455254,-1.4683271387,0.0678092207,0.0678092207,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Co-Cu-Li-Mn-O, expected Li4Mn2Co3Cu3O20 to be Li4Mn2Co3Cu3O16" +mp-758293,Mn3CoCu2(PO4)6,-7.5225158231,-2.1338180141,0.0671214799,0.0671214799,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Co-Cu-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_20b_2b:Co-Cu-Mn-O-P, expected Mn3CoCu2(PO10)6 to be Mn3CoCu2(PO4)6" +mp-760813,Li4Mn5Co(PO4)6,-7.7609755645,-2.4671148187,0.0704781866,0.0704781866,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Co-Li-Mn-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Co-Li-Mn-O-P +mp-756337,Li2CoCu(PO4)2,-6.9508317411,-2.2775828195,0.0450234064,0.0450234064,GGA+U,P2_1/m,ABC2D8E2_mP28_11_e_e_ad_4e2f_2e:Co-Cu-Li-O-P,28.0,ABC2D8E2_mP28_11_e_e_ab_4e2f_2e:Co-Cu-Li-O-P +mp-775260,Li6CoCu3(PO4)4,-6.6541660287,-2.2655092149,0.0762568402,0.0762568402,GGA+U,P1,AB3C6D16E4_aP30_1_a_3a_6a_16a_4a:Co-Cu-Li-O-P,30.0,AB3C6D16E4_mP30_6_a_a2b_3c_4a4b4c_2a2b:Co-Cu-Li-O-P +mp-758412,Li8Mn7Co(PO4)12,-7.550996750799999,-2.4337007509,0.022917686,0.022917686,GGA+U,P1,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Co-Li-Mn-O-P,76.0,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Co-Li-Mn-O-P +mp-759177,Li6MnCo3(PO4)6,-7.1478327135,-2.3193114638,0.0972326909,0.0972326909,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Mn-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Co-Li-Mn-O-P +mp-770859,Mn3Co3(CuO8)2,-6.8561624429,-1.182977777,0.0738717906,0.0738717906,GGA+U,Cm,A3B2C3D16_mC48_8_ab_2a_ab_8a4b:Co-Cu-Mn-O,24.0,"Invalid WP multiplicities - A3B2C3D16_mC48_8_ab_2a_ab_8a6b:Co-Cu-Mn-O, expected Mn3Co3(CuO10)2 to be Mn3Co3(CuO8)2" +mp-757599,Li6Mn3Cu(PO4)6,-7.2854941218,-2.4295157753,0.0665381859,0.0665381859,GGA+U,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Cu-Li-Mn-O-P,40.0,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Cu-Li-Mn-O-P +mp-757760,Li2Mn2Co(PO4)3,-7.6656529745,-2.4231346661,0.0749515249,0.0749515249,GGA+U,C2,AB2C2D12E3_mC80_5_c_abc_2c_12c_ab2c:Co-Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB2C2D12E3_mC80_5_c_abc_4c_22c_ab2c:Co-Li-Mn-O-P, expected Li2Mn4CoP3O22 to be Li2Mn2Co(PO4)3" +mp-1177362,Li4Mn5Cu(PO4)6,-7.6587909122,-2.4401579446,0.0672978019,0.0672978019,GGA+U,P1,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cu-Li-Mn-O-P,40.0,AB4C5D24E6_aP40_1_a_4a_5a_24a_6a:Cu-Li-Mn-O-P +mp-1177150,Li5Mn3Cu(PO4)4,-7.3954374528,-2.5012962015,0.056636544,0.056636544,GGA+U,P1,AB5C3D16E4_aP29_1_a_5a_3a_16a_4a:Cu-Li-Mn-O-P,29.0,AB5C3D16E4_aP29_1_a_5a_3a_16a_4a:Cu-Li-Mn-O-P +mp-1176950,Li8Mn7Cu(PO4)12,-7.4978540247,-2.4201515923,0.0234325742,0.0234325742,GGA+U,P1,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Cu-Li-Mn-O-P,76.0,AB8C7D48E12_aP76_1_a_8a_7a_48a_12a:Cu-Li-Mn-O-P +mp-755452,Li2MnCo(PO4)2,-7.5351138121,-2.5002357033,0.0213535884,0.0213535884,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Co-Li-Mn-O-P,28.0,AB2CD8E2_mP28_11_e_ab_e_4e2f_2e:Co-Li-Mn-O-P +mp-765574,Li2MnCu(PO4)2,-7.2227653086,-2.4028237087,0.0326591295,0.0326591295,GGA+U,P2_1/m,AB2CD8E2_mP28_11_e_ad_e_4e2f_2e:Cu-Li-Mn-O-P,28.0,"Invalid WP multiplicities - AB2CD8E2_mP28_11_e_ab_e_7e4f_3e:Cu-Li-Mn-O-P, expected Li2MnCu(PO5)3 to be Li2MnCu(PO4)2" +mp-757104,Li4MnCo3(PO4)4,-7.4006704332,-2.4391386636,0.0260123221,0.0260123221,GGA+U,Pm,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Co-Li-Mn-O-P,28.0,A3B4CD16E4_mP28_6_a2b_2c_a_4a4b4c_2a2b:Co-Li-Mn-O-P +mp-764926,Li5Co2Cu2(PO4)4,-6.8644276834,-2.28650035,0.0668004488,0.0668004488,GGA+U,P1,A2B2C5D16E4_aP29_1_2a_2a_5a_16a_4a:Co-Cu-Li-O-P,29.0,A2B2C5D16E4_aP29_1_2a_2a_5a_16a_4a:Co-Cu-Li-O-P +mp-1177107,Li5Mn2Co2(PO4)4,-7.3576210152,-2.4305344664,0.093277279,0.093277279,GGA+U,P1,A2B5C2D16E4_aP29_1_2a_5a_2a_16a_4a:Co-Li-Mn-O-P,29.0,A2B5C2D16E4_aP29_1_2a_5a_2a_16a_4a:Co-Li-Mn-O-P +mp-1177025,Li6Mn3Co(PO4)6,-7.3957770427,-2.4645709182,0.0571215739,0.0571215739,GGA+U,P1,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Co-Li-Mn-O-P,40.0,AB6C3D24E6_aP40_1_a_6a_3a_24a_6a:Co-Li-Mn-O-P +mp-771073,Li4Mn3Co3(CuO8)2,-6.5622689586,-1.4268359783,0.2341419738,0.2341419738,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Co-Cu-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Co-Cu-Li-Mn-O, expected Li4Mn3Co3(CuO10)2 to be Li4Mn3Co3(CuO8)2" +mp-758579,Li8MnCo7(PO4)12,-7.2067135713,-2.2515515843,0.0387904808,0.0387904808,GGA+U,P1,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Co-Li-Mn-O-P,76.0,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Co-Li-Mn-O-P +mp-2715201,Na8Mg2Al2Si3(SO8)3,-6.5733572248000005,-2.5572203946,0.1372888987,0.1372888987,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Al-Mg-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Al-Mg-Na-O-S-Si +mp-2712593,Na3MgAlSi(SO6)2,-6.6060634217,-2.4874677187,0.1288237734,0.1288237734,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Al-Mg-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Al-Mg-Na-O-S-Si, expected Na4MgAlSiS3O20 to be Na3MgAlSi(SO6)2" +mp-1210847,NaMg6Al6(SiO5)6,-7.3080714229,-2.9335769312,0.2023368532,0.2023368532,GGA,R3m,A6B6CD30E6_hR147_160_c_c_a_4b3c_c:Al-Mg-Na-O-Si,,A6B6CD30E6_hR147_160_c_c_a_4b3c_c:Al-Mg-Na-O-Si +mp-1173784,Na9Mg9Al(Si2O7)5,-7.0064909219,-2.984020467,0.036783119,0.036783119,GGA,C2,AB9C9D35E10_mC128_5_a_a4c_b4c_b17c_5c:Al-Mg-Na-O-Si,64.0,"Invalid WP multiplicities - AB9C9D35E10_mC128_5_a_a8c_b8c_b32c_9c:Al-Mg-Na-O-Si, expected Na17Mg17AlSi18O65 to be Na9Mg9Al(Si2O7)5" +mp-2714755,NaMgAl3(SO4)6,-6.8397865697,-2.334107681,0.0047787861,0.0047787861,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Al-Mg-Na-O-S,105.0,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Al-Mg-Na-O-S +mp-2713167,Na4Mg2Al2SiS5O24,-6.6551726037000005,-2.4233328835,0.0671648141,0.0671648141,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Al-Mg-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Al-Mg-Na-O-S-Si +mp-2715023,Na3Mg3Al(SO4)6,-6.5545698179,-2.3369152198,0.0049454793,0.0049454793,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Mg-Na-O-S,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Al-Mg-Na-O-S +mp-677551,Na6MgAl4Si13O36,-7.6735477682,-3.1214200494,0.0414359152,0.0414359152,GGA,C2,A4BC6D36E13_mC120_5_2c_a_ab2c_18c_b6c:Al-Mg-Na-O-Si,60.0,"Invalid WP multiplicities - A4BC6D36E13_mC120_5_4c_a_ab3c_35c_b9c:Al-Mg-Na-O-Si, expected Na8MgAl8Si19O70 to be Na6MgAl4Si13O36" +mp-1173790,Na4MgAl2(Si3O8)3,-7.6483122713,-3.1000641657,0.0476779527,0.0476779527,GGA,P2_1,A2BC4D24E9_mP80_4_2a_a_4a_24a_9a:Al-Mg-Na-O-Si,80.0,"Invalid WP multiplicities - A2BC4D24E9_mP80_4_3a_a_5a_46a_16a:Al-Mg-Na-O-Si, expected Na5MgAl3(Si8O23)2 to be Na4MgAl2(Si3O8)3" +mp-1221208,NaMgAl3Si3O16,-6.8078054677,-2.2418677051,0.5003567397,0.5003567397,GGA,Cc,A3BCD16E3_mC96_9_3a_a_a_16a_3a:Al-Mg-Na-O-Si,48.0,"Invalid WP multiplicities - A3BCD16E3_mC96_9_5a_a_a_30a_5a:Al-Mg-Na-O-Si, expected NaMgAl5(SiO6)5 to be NaMgAl3Si3O16" +mp-2714099,Na7MgAl3Si3(SO8)3,-6.7327348688,-2.5985759089,0.1329563529,0.1329563529,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Al-Mg-Na-O-S-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Al-Mg-Na-O-S-Si +mp-2715869,Na14Mg4Al4Si5S7O48,-6.6014188091,-2.535302041,0.1218383591,0.1218383591,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Al-Mg-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Al-Mg-Na-O-S-Si +mp-686601,Na3MgAlSi7O18,-7.6241985633,-3.0798300709,0.051882495,0.051882495,GGA,C2,ABC3D18E7_mC120_5_ab_c_ab2c_18c_7c:Al-Mg-Na-O-Si,60.0,"Invalid WP multiplicities - ABC3D18E7_mC120_5_ab_c_ab2c_34c_13c:Al-Mg-Na-O-Si, expected Na3MgAlSi13O34 to be Na3MgAlSi7O18" +mp-2714685,Na10Mg4Al4Si3(S3O16)3,-6.6189099179,-2.4451440527,0.1140796346,0.1140796346,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Al-Mg-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Al-Mg-Na-O-S-Si +mp-1173868,Na12Mg5Al2Si29O72,-7.6100256934,-3.0695368142,0.0455110341,0.0455110341,GGA,P2,A2B5C12D72E29_mP120_3_ac_b2e_abcd4e_36e_d14e:Al-Mg-Na-O-Si,120.0,"Invalid WP multiplicities - A2B5C12D72E29_mP120_3_ab_c3e_abcd8e_70e_d28e:Al-Mg-Na-O-Si, expected Na20Mg7Al2Si57O140 to be Na12Mg5Al2Si29O72" +mp-2713714,Na6Mg4Al4SiS11O48,-6.678500071,-2.3854473685,0.032609421,0.032609421,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Al-Mg-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Al-Mg-Na-O-S-Si +mp-2714149,NaMgAl(SO4)3,-6.6952172415,-2.3375508354,0.004040551,0.004040551,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Al-Mg-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Al-Mg-Na-O-S, expected NaMgAl(SO12)3 to be NaMgAl(SO4)3" +mp-2713729,MgSn(SO4)3,-6.6067237338,-2.0549904373,0.0,-0.0173492114,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Mg-O-S-Sn,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Mg-O-S-Sn, expected MgSn(SO12)3 to be MgSn(SO4)3" +mp-2714921,Na8Mg3Si3Sn(SO8)3,-6.4370909606,-2.4657469817,0.1007210856,0.1007210856,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Sn,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Sn +mp-2715091,Na6Mg7Sn(SO4)12,-6.4732828234,-2.2810511949,0.0006954396,0.0006954396,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Sn,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Sn +mp-2714600,Na4MgSi2SnSO12,-6.5454775771,-2.4860821704,0.098353339,0.098353339,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Mg-Na-O-S-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Mg-Na-O-S-Si-Sn, expected Na14MgSi7SnSO60 to be Na4MgSi2SnSO12" +mp-2716360,Na6MgSi6Sn7(SO8)6,-6.7860592836,-2.2939768468,0.1193405856,0.1193405856,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Sn,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Sn +mp-2714787,Na14Mg2Si9Sn6(SO16)3,-6.6920875759000005,-2.4914581204,0.0879515,0.0879515,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Sn,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Sn +mp-2714896,Na10Mg6Si3Sn2(S3O16)3,-6.4822728096,-2.3567453996,0.08711192,0.08711192,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Sn,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Sn +mp-2716545,Na2Mg2Si3Sn6(S3O16)3,-6.7173245358,-2.1337802094,0.067349322,0.067349322,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Sn,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Sn +mp-2713670,Na4MgSi3Sn3(SO8)3,-6.6983688127,-2.3213969825,0.1533354975,0.1533354975,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Sn,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Sn +mp-2713293,Na2MgSiSn(SO6)2,-6.5767793004,-2.2971274693,0.1333994632,0.1333994632,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Mg-Na-O-S-Si-Sn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Mg-Na-O-S-Si-Sn, expected Na2MgSiSnS3O20 to be Na2MgSiSn(SO6)2" +mp-2714248,Na2Mg3Sn(SO4)6,-6.5234316667,-2.2180235871,0.0,-0.005141215,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Sn,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Sn +mp-2713622,Na6Mg6SiSn2S11O48,-6.5137332532,-2.27152649,0.0329202906,0.0329202906,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Sn,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Sn +mp-2714471,Na6MgSi4Sn3(SO12)2,-6.6974142144,-2.4409430069,0.1115495494,0.1115495494,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Sn,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Sn +mp-2712920,MgSiSn3S5O24,-6.7048477177,-2.0443450104,0.0448844089,0.0448844089,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Sn,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Sn +mp-2712579,Na6Mg3Si2Sn(SO6)4,-6.4625258451,-2.3909626360000003,0.1075538217,0.1075538217,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Sn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Sn +mp-2713345,Na10Mg3Si6Sn5(SO8)6,-6.6431052083,-2.3753408765,0.1300202759,0.1300202759,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Sn,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Sn +mp-2714391,Na2Mg2SiSn2S5O24,-6.6132318467,-2.2050971014,0.0552950167,0.0552950167,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Sn,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Sn +mp-2714317,Na14Mg5Si6Sn3(SO8)6,-6.4942654283,-2.4289345082,0.1215134004,0.1215134004,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Sn,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Sn +mp-2716197,Na8MgSi5Sn3SO24,-6.6902718906,-2.5428250561,0.0595778954,0.0595778954,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Sn,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Sn +mp-2715757,Na14Mg4Si7Sn4S5O48,-6.5633153599,-2.452884928,0.1072168845,0.1072168845,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Sn,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Sn +mp-2715113,Na10Mg4Si5Sn4S7O48,-6.5613466126,-2.3409945881,0.1459348035,0.1459348035,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Sn,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Sn +mp-2713068,Na14Mg6Si5Sn2S7O48,-6.4322473259,-2.4120159177,0.1281584137,0.1281584137,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Sn,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Sn +mp-2712569,Na2MgSi2Sn3(SO6)4,-6.7244127296,-2.2135513185,0.0892093305,0.0892093305,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Sn,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Sn +mp-2713833,Na6Mg4Si3Sn4(S3O16)3,-6.6071042972,-2.2649472646,0.0848998081,0.0848998081,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Sn,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Sn +mp-2715842,Na6Mg2Si5Sn6S7O48,-6.7013282186000005,-2.2592209166,0.1331326491,0.1331326491,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Sn,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Sn +mp-2714642,Na2Mg5Sn3(SO4)12,-6.5658699444,-2.140818188,0.0,-0.0019821308,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Sn,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Sn +mp-2716017,Na10Mg2Si7Sn6S5O48,-6.7160525920000005,-2.4008759529,0.1213648227,0.1213648227,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Sn,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Sn +mp-2716259,Na6Mg2Si3Sn2(SO8)3,-6.5576378923,-2.393620684,0.137811039,0.137811039,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Sn,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Sn +mp-2714233,Na2Mg4SiSn4S11O48,-6.609261526,-2.131378913,0.0302377398,0.0302377398,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Sn,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Sn +mp-2713364,Na4Mg3SiSnS5O24,-6.4969478229,-2.314615991,0.0717053939,0.0717053939,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Sn,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Sn +mp-505310,Sr3Fe2Cu2S2O5,-6.4577856471,-1.9425514036,0.0281111379,0.0281111379,GGA+U,I4/mmm,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Fe-O-S-Sr,14.0,A2B2C5D2E3_tI28_139_d_e_ag_e_be:Cu-Fe-O-S-Sr +mp-505312,Sr2FeCuSO3,-6.4844243381,-2.1188329897,0.0,-0.0058279377,GGA+U,P4/nmm,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Fe-O-S-Sr,16.0,ABC3DE2_tP16_129_a_c_cf_c_2c:Cu-Fe-O-S-Sr +mp-2229265,Sr4MgFe2Cu2(SO3)2,-6.1119349541,-1.9090089762,0.2735228463,0.2735228463,GGA+U,P-4m2,A2B2CD6E2F4_tP17_115_ab_g_c_efg_g_2g:Cu-Fe-Mg-O-S-Sr,17.0,A2B2CD6E2F4_tP17_115_ab_g_c_efg_g_2g:Cu-Fe-Mg-O-S-Sr +mp-2221103,Sr4MgFe2(SO3)2,-6.5906438793,-2.3738886604,0.0986113273,0.0986113273,GGA+U,Cm,A2BC6D2E4_mC30_8_2a_a_2a2b_2a_4a:Fe-Mg-O-S-Sr,15.0,A2BC6D2E4_mC30_8_2a_a_2a2b_2a_4a:Fe-Mg-O-S-Sr +mp-2221119,Sr4MgFe2(SO3)2,-6.5759101453,-2.3591549264,0.1133450613,0.1133450613,GGA+U,Cm,A2BC6D2E4_mC30_8_2a_a_2a2b_2a_4a:Fe-Mg-O-S-Sr,15.0,A2BC6D2E4_mC30_8_2a_a_2a2b_2a_4a:Fe-Mg-O-S-Sr +mp-2221096,Sr4MgFe2(SO3)2,-6.5272425313,-2.3104873124,0.1620126753,0.1620126753,GGA+U,P4mm,A2BC6D2E4_tP15_99_ab_a_ab2c_ab_2a2b:Fe-Mg-O-S-Sr,15.0,A2BC6D2E4_tP15_99_ab_a_ab2c_ab_2a2b:Fe-Mg-O-S-Sr +mp-1048638,Sr4MgFe2(SO3)2,-6.6082583133,-2.3915030944,0.0809968933,0.0809968933,GGA+U,P-4m2,A2BC6D2E4_tP15_115_g_a_efg_g_2g:Fe-Mg-O-S-Sr,15.0,"Invalid WP multiplicities - A2BC6D2E4_tP15_115_g_a_e2fg_g_2g:Fe-Mg-O-S-Sr, expected Sr4MgFe2(SO4)2 to be Sr4MgFe2(SO3)2" +mp-2221129,Sr4MgFe2(SO3)2,-6.3986297547,-2.1818745357,0.290625452,0.290625452,GGA+U,P-4m2,A2BC6D2E4_tP15_115_g_a_efg_g_2g:Fe-Mg-O-S-Sr,15.0,"Invalid WP multiplicities - A2BC6D2E4_tP15_115_g_a_2efg_g_2g:Fe-Mg-O-S-Sr, expected Sr4MgFe2(SO4)2 to be Sr4MgFe2(SO3)2" +mp-1048639,Sr3MgFe2S2O5,-6.5976439369,-2.2426326969,0.1271923314,0.1271923314,GGA+U,I-4m2,A2BC5D2E3_tI26_119_e_c_a2f_e_be:Fe-Mg-O-S-Sr,13.0,"Invalid WP multiplicities - A2BC5D2E3_tI26_119_e_c_a3f_e_be:Fe-Mg-O-S-Sr, expected Sr3MgFe2S2O7 to be Sr3MgFe2S2O5" +mp-2230626,K2Na2Eu2MgNb2O10,-7.70456395,-2.617741354,0.1558538412,0.1558538412,GGA,P4mm,A2B2CD2E2F10_tP19_99_c_c_a_ab_ab_ab2d:Eu-K-Mg-Na-Nb-O,19.0,"Invalid WP multiplicities - A2B2CD2E2F10_tP19_99_c_c_a_ab_ab_ab4d:Eu-K-Mg-Na-Nb-O, expected K2Na2Eu2MgNb2O18 to be K2Na2Eu2MgNb2O10" +mp-20737,KNaEuNbO5,-8.0987389339,-2.8182195298,0.0,-0.0248584237,GGA,P4/nmm,ABCDE5_tP18_129_a_b_c_c_cj:Eu-K-Na-Nb-O,18.0,ABCDE5_tP18_129_a_b_c_c_cj:Eu-K-Na-Nb-O +mp-1205131,K2Na2Eu4Nb2O13,-8.5669006815,-2.8971868116,0.0008046623,0.0008046623,GGA,C2/c,A4B2C2D2E13_mC92_15_2f_f_f_f_e6f:Eu-K-Na-Nb-O,46.0,A4B2C2D2E13_mC92_15_2f_f_f_f_e6f:Eu-K-Na-Nb-O +mp-1217377,Zn15Te5As2P8(Pb3O14)5,-6.2736520954,-2.0197803013,0.0024450994,0.0024450994,GGA,P1,A2B70C8D15E5F15_aP115_1_2a_70a_8a_15a_5a_15a:As-O-P-Pb-Te-Zn,115.0,A2B70C8D15E5F15_aP115_1_2a_70a_8a_15a_5a_15a:As-O-P-Pb-Te-Zn +mp-1199741,Zn3TeP2Pb3O14,-6.3556562499,-2.0886682106,0.0,-0.02898054,GGA,P2,A14B2C3DE3_mP138_3_42e_6e_3a3b6e_3a3b_3c3d6e:O-P-Pb-Te-Zn,138.0,A14B2C3DE3_mP138_3_42e_6e_3a3d6e_3a3d_3b3c6e:O-P-Pb-Te-Zn +mp-1190498,Zn3TeP2Pb3O14,-6.3555452291,-2.0885571898,0.0001110208,-0.0288695192,GGA,P321,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Pb-Te-Zn,23.0,A14B2C3DE3_hP23_150_d2g_d_e_a_f:O-P-Pb-Te-Zn +mp-1195381,Zn3Te2P2(PbO7)2,-6.2907585496,-2.0485244745,0.0,-0.0095311276,GGA,P2_1/c,A14B2C2D2E3_mP46_14_7e_e_e_e_ae:O-P-Pb-Te-Zn,46.0,A14B2C2D2E3_mP46_14_7e_e_e_e_ae:O-P-Pb-Te-Zn +mp-558298,Zn3TeAs2Pb3O14,-5.9578609743,-1.7564541613,0.0,-0.0359418153,GGA,P321,A2B14C3DE3_hP23_150_d_d2g_e_a_f:As-O-Pb-Te-Zn,23.0,"Invalid WP multiplicities - A2B14C3DE3_hP23_150_d_2d9g_e_a_f:As-O-Pb-Te-Zn, expected Zn3TeAs2Pb3O58 to be Zn3TeAs2Pb3O14" +mp-2715395,Na3HfZn(PO4)3,-7.337942721,-2.7987086922,0.043483616,0.043483616,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Hf-Na-O-P-Zn,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Hf-Na-O-P-Zn, expected Na3HfZn(PO5)6 to be Na3HfZn(PO4)3" +mp-2715443,Na3HfZn(PO4)3,-7.3387471118,-2.7995130831,0.0426792252,0.0426792252,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Hf-Na-O-P-Zn,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Hf-Na-O-P-Zn, expected Na14Hf3Zn3(PO4)18 to be Na3HfZn(PO4)3" +mp-2713266,Na4Hf3Zn(PO4)6,-7.9460102942,-3.0085956631,0.0278557057,0.0278557057,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Hf-Na-O-P-Zn,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Hf-Na-O-P-Zn +mp-2716540,Na10Hf5Zn3(PO4)12,-7.6328165303,-2.8995970799,0.0372342578,0.0372342578,GGA,P1,A5B10C48D12E3_aP234_1_15a_30a_144a_36a_9a:Hf-Na-O-P-Zn,234.0,A5B10C48D12E3_aP234_1_15a_30a_144a_36a_9a:Hf-Na-O-P-Zn +mp-2715550,Na8Hf3ZnSi4(PO12)2,-7.5826896976,-2.9884059059,0.0265104188,0.0265104188,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Hf-Na-O-P-Si-Zn,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Hf-Na-O-P-Si-Zn +mp-2715506,Na6Hf3ZnSi2(PO6)4,-7.754549317,-2.9972783766,0.0300295311,0.0300295311,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:Hf-Na-O-P-Si-Zn,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:Hf-Na-O-P-Si-Zn, expected Na12Hf6ZnSi4(PO6)8 to be Na6Hf3ZnSi2(PO6)4" +mp-2715320,Na6Hf3ZnSi2(PO6)4,-7.7589438726,-3.0016729321,0.0256349755,0.0256349755,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Hf-Na-O-P-Si-Zn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Hf-Na-O-P-Si-Zn +mp-2715833,Na5Hf3ZnSiP5O24,-7.8509509405,-3.0059176892,0.0258447251,0.0258447251,GGA,P1,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Hf-Na-O-P-Si-Zn,117.0,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Hf-Na-O-P-Si-Zn +mp-2715741,Na7Hf2Zn2SiP5O24,-7.2572208695,-2.7961500898,0.0463200194,0.0463200194,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Hf-Na-O-P-Si-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Hf-Na-O-P-Si-Zn +mp-2714627,Na7Hf3ZnSi3(PO8)3,-7.6638652359,-2.9900755179000003,0.0323187653,0.0323187653,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Hf-Na-O-P-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Hf-Na-O-P-Si-Zn +mp-2714951,Na8HfZn3(PO4)6,-6.7990150456,-2.6200396571,0.0463944535,0.0463944535,GGA,P3,AB8C24D6E3_hP126_143_2ab_2a2b2c6d_24d_6d_2a3b4c:Hf-Na-O-P-Zn,126.0,AB8C24D6E3_hP126_143_2ab_2a2b2c6d_24d_6d_2a3b4c:Hf-Na-O-P-Zn +mp-2714304,Na14Hf3Zn5(PO4)12,-7.061857445,-2.7071461344000003,0.0450236824,0.0450236824,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Hf-Na-O-P-Zn,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Hf-Na-O-P-Zn +mp-2716458,Na6Hf7Zn(PO4)12,-8.2800067943,-3.1273594051,0.0140968611,0.0140968611,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Hf-Na-O-P-Zn,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Hf-Na-O-P-Zn +mp-2714601,Na4HfZnSi(PO6)2,-7.1795331052,-2.7929035151,0.0485105551,0.0485105551,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Hf-Na-O-P-Si-Zn,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Hf-Na-O-P-Si-Zn, expected Na6HfZnSiP3O20 to be Na4HfZnSi(PO6)2" +mp-2715761,Na7La2In2SiP5O24,-7.0693400392,-2.7804273963,0.0580692373,0.0580692373,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:In-La-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:In-La-Na-O-P-Si +mp-2714521,Na4LaInSi(PO6)2,-6.9831628384,-2.7645923819,0.0686859775,0.0686859775,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:In-La-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:In-La-Na-O-P-Si +mp-2715366,Na3LaIn(PO4)3,-7.146225764,-2.7834538255,0.0548203082,0.0548203082,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:In-La-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:In-La-Na-O-P +mp-2715293,Na3LaIn(PO4)3,-7.149416989,-2.7866450505,0.0516290832,0.0516290832,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:In-La-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:In-La-Na-O-P +mp-1105259,La2InSi2,-5.3577251155,-0.6628583155000001,0.0,-0.0310169092,GGA,Pbam,AB2C2_oP20_55_g_2h_2g:In-La-Si,20.0,AB2C2_oP20_55_g_2h_2g:In-La-Si +mp-777402,Li10Ti2Mn3Ni3O16,-6.85557584,-2.183408546,0.0967955792,0.0967955792,GGA+U,P1,A10B3C3D16E2_aP34_1_10a_3a_3a_16a_2a:Li-Mn-Ni-O-Ti,34.0,A10B3C3D16E2_aP34_1_10a_3a_3a_16a_2a:Li-Mn-Ni-O-Ti +mp-766375,Li6MnNi3(PO4)6,-7.0376397857,-2.3087321197,0.0885527571,0.0885527571,GGA+U,P1,A6BC3D24E6_aP40_1_6a_a_3a_24a_6a:Li-Mn-Ni-O-P,40.0,A6BC3D24E6_aP40_1_6a_a_3a_24a_6a:Li-Mn-Ni-O-P +mp-1222689,Li2Ti2MnNiO8,-7.8901506836,-2.5955441529,0.0276642376,0.0276642376,GGA+U,C2/m,A2BCD8E2_mC28_12_i_a_c_2ij_e:Li-Mn-Ni-O-Ti,28.0,A2BCD8E2_mC28_12_i_c_b_2ij_e:Li-Mn-Ni-O-Ti +mp-776019,TiMn3Ni2(PO4)6,-7.9274415136,-2.4234927535,0.0449843679,0.0449843679,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Mn-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Mn-Ni-O-P-Ti, expected TiMn3Ni2(PO11)6 to be TiMn3Ni2(PO4)6" +mp-769093,Li6Mn3Ni(PO4)6,-7.3592853128,-2.4612837161,0.053244932,0.053244932,GGA+U,P1,A6B3CD24E6_aP40_1_6a_3a_a_24a_6a:Li-Mn-Ni-O-P,40.0,A6B3CD24E6_aP40_1_6a_3a_a_24a_6a:Li-Mn-Ni-O-P +mp-1222732,Li2TiMn2NiO8,-7.6466278343,-2.2615553554,0.0257390222,0.0257390222,GGA+U,C2/m,A2B2CD8E_mC28_12_i_e_c_2ij_a:Li-Mn-Ni-O-Ti,28.0,A2B2CD8E_mC28_12_i_e_a_2ij_d:Li-Mn-Ni-O-Ti +mp-774573,Li2Mn2Ni(PO4)3,-7.588318797,-2.4122095444,0.07095707,0.07095707,GGA+U,C2,A2B2CD12E3_mC80_5_abc_2c_c_12c_ab2c:Li-Mn-Ni-O-P,40.0,"Invalid WP multiplicities - A2B2CD12E3_mC80_5_abc_2c_c_22c_ab2c:Li-Mn-Ni-O-P, expected Li2Mn2NiP3O22 to be Li2Mn2Ni(PO4)3" +mp-778744,Li2MnNi(PO4)2,-7.4357889725,-2.4957809433,0.0044946675,0.0044946675,GGA+U,P2_1/m,A2BCD8E2_mP28_11_ad_e_e_4e2f_2e:Li-Mn-Ni-O-P,28.0,A2BCD8E2_mP28_11_ab_e_e_4e2f_2e:Li-Mn-Ni-O-P +mp-776680,TiMn2Ni3(PO4)6,-7.7256547797,-2.3156470922,0.085922872,0.085922872,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Mn-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Mn-Ni-O-P-Ti, expected TiMn2Ni3(PO11)6 to be TiMn2Ni3(PO4)6" +mp-770507,Li4Ti3Mn3(NiO8)2,-7.7364509529,-2.3966114481,0.058639936,0.058639936,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Ni-O-Ti,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Ni-O-Ti, expected Li4Ti3Mn3(NiO10)2 to be Li4Ti3Mn3(NiO8)2" +mp-776162,Li8Mn7Ni(PO4)12,-7.5333468472,-2.4335269146,0.019701799,0.019701799,GGA+U,P1,A8B7CD48E12_aP76_1_8a_7a_a_48a_12a:Li-Mn-Ni-O-P,76.0,A8B7CD48E12_aP76_1_8a_7a_a_48a_12a:Li-Mn-Ni-O-P +mp-767054,Li4Ti4Mn4NiO18,-8.0521002016,-2.5460920021,0.0700926192,0.0700926192,GGA+U,Pbam,A4B4CD18E4_oP62_55_2g_gh_a_4g5h_gh:Li-Mn-Ni-O-Ti,62.0,"Invalid WP multiplicities - A4B4CD18E4_oP62_55_5g_3g2h_a_12g20h_3g2h:Li-Mn-Ni-O-Ti, expected Li10Ti10Mn10NiO64 to be Li4Ti4Mn4NiO18" +mp-1177336,Li4MnNi5(PO4)6,-7.169507136,-2.2470387793,0.0863999103,0.0863999103,GGA+U,P1,A4BC5D24E6_aP40_1_4a_a_5a_24a_6a:Li-Mn-Ni-O-P,40.0,A4BC5D24E6_aP40_1_4a_a_5a_24a_6a:Li-Mn-Ni-O-P +mp-771397,Li4Ti3Mn2Ni3O16,-7.2677274593,-2.0486693335,0.289275633,0.289275633,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Mn-Ni-O-Ti,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Mn-Ni-O-Ti, expected Li4Ti3Mn2Ni3O20 to be Li4Ti3Mn2Ni3O16" +mp-780131,Li7MnNi3(PO4)6,-7.0241452871,-2.3640177381,0.0783333117,0.0783333117,GGA+U,R3,A7BC3D24E6_hR123_146_a2b_a_3a_8b_2b:Li-Mn-Ni-O-P,41.0,"Invalid WP multiplicities - A7BC3D24E6_hR123_146_a2b_a_3a_24b_2b:Li-Mn-Ni-O-P, expected Li7MnNi3(PO12)6 to be Li7MnNi3(PO4)6" +mp-757099,Li4MnNi3(PO4)4,-7.2473306075,-2.4281039573,0.005076507,0.005076507,GGA+U,Pm,A4BC3D16E4_mP28_6_2c_a_a2b_4a4b4c_2a2b:Li-Mn-Ni-O-P,28.0,A4BC3D16E4_mP28_6_2c_a_a2b_4a4b4c_2a2b:Li-Mn-Ni-O-P +mp-775926,Li4Mn3Ni3(PO4)6,-7.4562931538,-2.3647308664,0.0714691454,0.0714691454,GGA+U,P1,A4B3C3D24E6_aP40_1_4a_3a_3a_24a_6a:Li-Mn-Ni-O-P,40.0,A4B3C3D24E6_aP40_1_4a_3a_3a_24a_6a:Li-Mn-Ni-O-P +mp-771186,Li4Mn3Ni3(PO4)6,-7.4423546578,-2.3507923704,0.0854076414,0.0854076414,GGA+U,P1,A4B3C3D24E6_aP40_1_4a_3a_3a_24a_6a:Li-Mn-Ni-O-P,40.0,A4B3C3D24E6_aP40_1_4a_3a_3a_24a_6a:Li-Mn-Ni-O-P +mp-776756,Li4TiMn2Ni3(PO4)6,-7.5540582172,-2.4941590118,0.071923277,0.071923277,GGA+U,P1,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-Ti,40.0,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-Ti +mp-867956,Li4Mn5Ni(PO4)6,-7.725860928,-2.4652047101,0.0649285069,0.0649285069,GGA+U,P1,A4B5CD24E6_aP40_1_4a_5a_a_24a_6a:Li-Mn-Ni-O-P,40.0,A4B5CD24E6_aP40_1_4a_5a_a_24a_6a:Li-Mn-Ni-O-P +mp-757417,Li4Mn3Ni(PO4)4,-7.6226818982,-2.56189249,0.0054782673,0.0054782673,GGA+U,Pm,A4B3CD16E4_mP28_6_2c_a2b_a_4a4b4c_2a2b:Li-Mn-Ni-O-P,28.0,A4B3CD16E4_mP28_6_2c_a2b_a_4a4b4c_2a2b:Li-Mn-Ni-O-P +mp-775759,Ti3Mn2Ni(PO4)6,-8.3377913464,-2.8102639179,0.009848228,0.009848228,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Mn-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_2b_3a:Mn-Ni-O-P-Ti, expected Ti3Mn2Ni(PO11)6 to be Ti3Mn2Ni(PO4)6" +mp-1101299,Ti3MnNi2(PO4)6,-8.1691632119,-2.7355768561,0.0321368931,0.0321368931,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Mn-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Mn-Ni-O-P-Ti, expected Ti3MnNi2(PO11)6 to be Ti3MnNi2(PO4)6" +mp-777316,Li8MnNi7(PO4)12,-7.0188890946,-2.1860595787,0.0805544243,0.0805544243,GGA+U,P1,A8BC7D48E12_aP76_1_8a_a_7a_48a_12a:Li-Mn-Ni-O-P,76.0,A8BC7D48E12_aP76_1_8a_a_7a_48a_12a:Li-Mn-Ni-O-P +mp-767719,Li4Ti2Mn3Ni3O16,-7.3889908479,-2.124699748,0.0452882121,0.0452882121,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-Ti,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-Ti, expected Li4Ti2Mn3Ni3O20 to be Li4Ti2Mn3Ni3O16" +mp-2714714,Na9Ca5Nb7Si9(SO8)9,-7.4330593335,-2.6145245533,0.1689931328,0.1689931328,GGA,P1,A5B9C7D72E9F9_aP111_1_5a_9a_7a_72a_9a_9a:Ca-Na-Nb-O-S-Si,111.0,A5B9C7D72E9F9_aP111_1_5a_9a_7a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2712582,NaCaNbSi(SO6)2,-7.2932363769,-2.4883523484,0.1684432574,0.1684432574,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Ca-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_72a_10a_3a:Ca-Na-Nb-O-S-Si, expected Na3Ca3Nb3Si3(S5O36)2 to be NaCaNbSi(SO6)2" +mp-2716275,Na18Ca8Nb4Si9(SO8)9,-6.9526108053,-2.5986693656,0.1554335135,0.1554335135,GGA,P1,A8B18C4D72E9F9_aP120_1_8a_18a_4a_72a_9a_9a:Ca-Na-Nb-O-S-Si,120.0,A8B18C4D72E9F9_aP120_1_8a_18a_4a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2714853,NaCa3Nb(SO4)6,-6.9863754893,-2.3869509681,0.0128801807,0.0128801807,GGA,P3,A3BCD24E6_hP105_143_3a2b4c_a2c_a2b_24d_6d:Ca-Na-Nb-O-S,105.0,A3BCD24E6_hP105_143_3a2b4c_a2c_a2b_24d_6d:Ca-Na-Nb-O-S +mp-2713449,Ca2Nb4Si3(SO6)6,-7.6921948078,-2.5237268311000003,0.0591358615,0.0591358615,GGA,Cc,A2B4C36D6E3_mC204_9_2a_4a_36a_6a_3a:Ca-Nb-O-S-Si,102.0,"Invalid WP multiplicities - A2B4C36D6E3_mC204_9_2a_4a_60a_9a_4a:Ca-Nb-O-S-Si, expected Ca2Nb4Si4(S3O20)3 to be Ca2Nb4Si3(SO6)6" +mp-2715896,Na42Ca20Nb4Si15(S7O48)3,-6.7299222121,-2.5972731383000003,0.0995272649,0.0995272649,GGA,P1,A20B42C4D144E21F15_aP246_1_20a_42a_4a_144a_21a_15a:Ca-Na-Nb-O-S-Si,246.0,A20B42C4D144E21F15_aP246_1_20a_42a_4a_144a_21a_15a:Ca-Na-Nb-O-S-Si +mp-2714453,Na3CaNbSi2SO12,-7.174104686,-2.6530131229,0.1849909489,0.1849909489,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:Ca-Na-Nb-O-S-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:Ca-Na-Nb-O-S-Si, expected Na13CaNbSi12SO72 to be Na3CaNbSi2SO12" +mp-2713806,NaCaNb3Si3(SO8)3,-7.8319017574,-2.6593910987,0.0755015523,0.0755015523,GGA,P1,ABC3D24E3F3_aP105_1_3a_3a_9a_72a_9a_9a:Ca-Na-Nb-O-S-Si,105.0,ABC3D24E3F3_aP105_1_3a_3a_9a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2713824,Ca2Nb10Si9(SO8)9,-8.0320509145,-2.6669357337,0.0285106533,0.0285106533,GGA,P1,A2B10C72D9E9_aP102_1_2a_10a_72a_9a_9a:Ca-Nb-O-S-Si,102.0,A2B10C72D9E9_aP102_1_2a_10a_72a_9a_9a:Ca-Nb-O-S-Si +mp-2715847,Na10Ca4Nb4Si7S5O48,-7.2123125201,-2.6257303881,0.1845550417,0.1845550417,GGA,P1,A4B10C4D48E5F7_aP234_1_12a_30a_12a_144a_15a_21a:Ca-Na-Nb-O-S-Si,234.0,A4B10C4D48E5F7_aP234_1_12a_30a_12a_144a_15a_21a:Ca-Na-Nb-O-S-Si +mp-2715094,Na12Ca2Nb10Si15(SO24)3,-7.8872957956,-2.8798812259,0.0778607758,0.0778607758,GGA,P1,A2B12C10D72E3F15_aP114_1_2a_12a_10a_72a_3a_15a:Ca-Na-Nb-O-S-Si,114.0,A2B12C10D72E3F15_aP114_1_2a_12a_10a_72a_3a_15a:Ca-Na-Nb-O-S-Si +mp-2715153,Na30Ca16Nb8Si15(S7O48)3,-7.0155652179,-2.6004191098,0.1206093022,0.1206093022,GGA,P1,A16B30C8D144E21F15_aP234_1_16a_30a_8a_144a_21a_15a:Ca-Na-Nb-O-S-Si,234.0,A16B30C8D144E21F15_aP234_1_16a_30a_8a_144a_21a_15a:Ca-Na-Nb-O-S-Si +mp-2716171,Na8Ca2Nb2Si5SO24,-7.1778779563,-2.7784117354,0.0970956255,0.0970956255,GGA,P1,A2B8C2D24EF5_aP126_1_6a_24a_6a_72a_3a_15a:Ca-Na-Nb-O-S-Si,126.0,A2B8C2D24EF5_aP126_1_6a_24a_6a_72a_3a_15a:Ca-Na-Nb-O-S-Si +mp-2712860,Na18Ca8Nb16Si21(S5O48)3,-7.5975629641,-2.6886767659,0.1419654338,0.1419654338,GGA,P1,A8B18C16D144E15F21_aP222_1_8a_18a_16a_144a_15a_21a:Ca-Na-Nb-O-S-Si,222.0,A8B18C16D144E15F21_aP222_1_8a_18a_16a_144a_15a_21a:Ca-Na-Nb-O-S-Si +mp-2715670,Na42Ca16Nb8Si21(S5O48)3,-6.9426920765,-2.6469697116,0.133718173,0.133718173,GGA,P1,A16B42C8D144E15F21_aP246_1_16a_42a_8a_144a_15a_21a:Ca-Na-Nb-O-S-Si,246.0,A16B42C8D144E15F21_aP246_1_16a_42a_8a_144a_15a_21a:Ca-Na-Nb-O-S-Si +mp-2714329,Na6Ca8Nb4Si3(S5O24)3,-7.0813215463,-2.4621598772,0.0860509825,0.0860509825,GGA,P1,A8B6C4D72E15F3_aP108_1_8a_6a_4a_72a_15a_3a:Ca-Na-Nb-O-S-Si,108.0,A8B6C4D72E15F3_aP108_1_8a_6a_4a_72a_15a_3a:Ca-Na-Nb-O-S-Si +mp-2712918,Na18Ca4Nb20Si27(SO16)9,-7.9295104099,-2.8399213755,0.0848025456,0.0848025456,GGA,P1,A4B18C20D144E9F27_aP222_1_4a_18a_20a_144a_9a_27a:Ca-Na-Nb-O-S-Si,222.0,A4B18C20D144E9F27_aP222_1_4a_18a_20a_144a_9a_27a:Ca-Na-Nb-O-S-Si +mp-2714097,Na7Ca3NbSi3(SO8)3,-6.825616405,-2.6114306856,0.1301576661,0.1301576661,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Ca-Na-Nb-O-S-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2715955,Na6Ca4Nb4Si5S7O48,-7.3184657957,-2.5902824335,0.1435718309,0.1435718309,GGA,P1,A4B6C4D48E7F5_aP222_1_12a_18a_12a_144a_21a_15a:Ca-Na-Nb-O-S-Si,222.0,A4B6C4D48E7F5_aP222_1_12a_18a_12a_144a_21a_15a:Ca-Na-Nb-O-S-Si +mp-2714668,Na30Ca20Nb4Si9(S3O16)9,-6.7835870782,-2.5398769942,0.0918944001,0.0918944001,GGA,P1,A20B30C4D144E27F9_aP234_1_20a_30a_4a_144a_27a_9a:Ca-Na-Nb-O-S-Si,234.0,A20B30C4D144E27F9_aP234_1_20a_30a_4a_144a_27a_9a:Ca-Na-Nb-O-S-Si +mp-2714081,Na6Ca16Nb8Si3(S11O48)3,-7.1094652744,-2.4145263969,0.0411483356,0.0411483356,GGA,P1,A16B6C8D144E33F3_aP210_1_16a_6a_8a_144a_33a_3a:Ca-Na-Nb-O-S-Si,210.0,A16B6C8D144E33F3_aP210_1_16a_6a_8a_144a_33a_3a:Ca-Na-Nb-O-S-Si +mp-2714905,Na14Ca4Nb4Si9(SO16)3,-7.2084107156,-2.7496150595,0.1092718909,0.1092718909,GGA,P1,A4B14C4D48E3F9_aP246_1_12a_42a_12a_144a_9a_27a:Ca-Na-Nb-O-S-Si,246.0,A4B14C4D48E3F9_aP246_1_12a_42a_12a_144a_9a_27a:Ca-Na-Nb-O-S-Si +mp-2714006,Na18Ca4Nb8Si15(SO24)3,-7.5089936062,-2.8207519196,0.0974061946,0.0974061946,GGA,P1,A4B18C8D72E3F15_aP120_1_4a_18a_8a_72a_3a_15a:Ca-Na-Nb-O-S-Si,120.0,A4B18C8D72E3F15_aP120_1_4a_18a_8a_72a_3a_15a:Ca-Na-Nb-O-S-Si +mp-2715662,Na6Ca4Nb20Si21(S5O48)3,-8.0000781273,-2.7320531124,0.0577550624,0.0577550624,GGA,P1,A4B6C20D144E15F21_aP210_1_4a_6a_20a_144a_15a_21a:Ca-Na-Nb-O-S-Si,210.0,A4B6C20D144E15F21_aP210_1_4a_6a_20a_144a_15a_21a:Ca-Na-Nb-O-S-Si +mp-2715114,Na24Ca10Nb2Si9(SO8)9,-6.7097270475,-2.6286420142,0.0900601052,0.0900601052,GGA,P1,A10B24C2D72E9F9_aP126_1_10a_24a_2a_72a_9a_9a:Ca-Na-Nb-O-S-Si,126.0,A10B24C2D72E9F9_aP126_1_10a_24a_2a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2713464,Na6Ca4Nb8Si9(SO8)9,-7.6400979675,-2.6494915797000003,0.1151506522,0.1151506522,GGA,P1,A4B6C8D72E9F9_aP108_1_4a_6a_8a_72a_9a_9a:Ca-Na-Nb-O-S-Si,108.0,A4B6C8D72E9F9_aP108_1_4a_6a_8a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2713586,Na18Ca20Nb4Si3(S11O48)3,-6.8328123877,-2.4660346978,0.0596794714,0.0596794714,GGA,P1,A20B18C4D144E33F3_aP222_1_20a_18a_4a_144a_33a_3a:Ca-Na-Nb-O-S-Si,222.0,A20B18C4D144E33F3_aP222_1_20a_18a_4a_144a_33a_3a:Ca-Na-Nb-O-S-Si +mp-2716283,Na15Ca7Nb5Si9(SO8)9,-7.1144315826,-2.6135674626,0.1520894583,0.1520894583,GGA,P1,A7B15C5D72E9F9_aP117_1_7a_15a_5a_72a_9a_9a:Ca-Na-Nb-O-S-Si,117.0,A7B15C5D72E9F9_aP117_1_7a_15a_5a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2714459,Na42Ca8Nb16Si33(SO48)3,-7.4784447372,-2.85657579,0.0805102261,0.0805102261,GGA,P1,A8B42C16D144E3F33_aP246_1_8a_42a_16a_144a_3a_33a:Ca-Na-Nb-O-S-Si,246.0,A8B42C16D144E3F33_aP246_1_8a_42a_16a_144a_3a_33a:Ca-Na-Nb-O-S-Si +mp-2713788,Na18Ca16Nb8Si9(S3O16)9,-7.0625652584,-2.5150847324,0.1146994845,0.1146994845,GGA,P1,A16B18C8D144E27F9_aP222_1_16a_18a_8a_144a_27a_9a:Ca-Na-Nb-O-S-Si,222.0,A16B18C8D144E27F9_aP222_1_16a_18a_8a_144a_27a_9a:Ca-Na-Nb-O-S-Si +mp-2713349,Na12Ca10Nb2Si3(S5O24)3,-6.7998555104000005,-2.496230934,0.0978876538,0.0978876538,GGA,P1,A10B12C2D72E15F3_aP114_1_10a_12a_2a_72a_15a_3a:Ca-Na-Nb-O-S-Si,114.0,A10B12C2D72E15F3_aP114_1_10a_12a_2a_72a_15a_3a:Ca-Na-Nb-O-S-Si +mp-2715820,Na3CaNb5Si6(SO12)3,-7.9579243076,-2.7815955604,0.0900075538,0.0900075538,GGA,Cc,AB3C5D36E3F6_mC216_9_a_3a_5a_36a_3a_6a:Ca-Na-Nb-O-S-Si,108.0,"Invalid WP multiplicities - AB3C5D36E3F6_mC216_9_a_3a_5a_72a_4a_11a:Ca-Na-Nb-O-S-Si, expected Na3CaNb5Si11(SO18)4 to be Na3CaNb5Si6(SO12)3" +mp-2713764,Ca4Nb2(SO4)9,-7.1328688725,-2.3576953037,0.0,-0.0239979961,GGA,P3c1,A4B2C36D9_hP102_158_ab2c_ab_12d_3d:Ca-Nb-O-S,102.0,A4B2C36D9_hP102_158_ab2c_ab_12d_3d:Ca-Nb-O-S +mp-2712758,Na6Ca2Nb4Si6(SO12)3,-7.5772544415,-2.7457873702,0.1236375867,0.1236375867,GGA,P3c1,A2B6C4D36E3F6_hP114_158_ab_abcd_ab2c_12d_d_2d:Ca-Na-Nb-O-S-Si,114.0,A2B6C4D36E3F6_hP114_158_ab_abcd_ab2c_12d_d_2d:Ca-Na-Nb-O-S-Si +mp-2714532,Na12Ca4Nb2Si6(SO12)3,-6.9280023877,-2.6877267606,0.1103540687,0.1103540687,GGA,Cc,A4B12C2D36E3F6_mC252_9_4a_12a_2a_36a_3a_6a:Ca-Na-Nb-O-S-Si,126.0,"Invalid WP multiplicities - A4B12C2D36E3F6_mC252_9_4a_18a_2a_60a_4a_9a:Ca-Na-Nb-O-S-Si, expected Na18Ca4Nb2Si9(SO15)4 to be Na12Ca4Nb2Si6(SO12)3" +mp-2716422,Na2Ca4Nb4Si3(S3O16)3,-7.3745906506,-2.4886230606,0.0787388393,0.0787388393,GGA,P1,A4B2C4D48E9F3_aP210_1_12a_6a_12a_144a_27a_9a:Ca-Na-Nb-O-S-Si,210.0,A4B2C4D48E9F3_aP210_1_12a_6a_12a_144a_27a_9a:Ca-Na-Nb-O-S-Si +mp-2713035,Ca2Nb2SiS5O24,-7.3888378637,-2.4170170909,0.0532619072,0.0532619072,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ca-Nb-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Ca-Nb-O-S-Si +mp-2714973,Na9Ca11Nb(SO4)18,-6.7276773878,-2.451251116,0.0224280294,0.0224280294,GGA,P1,A11B9CD72E18_aP111_1_11a_9a_a_72a_18a:Ca-Na-Nb-O-S,111.0,A11B9CD72E18_aP111_1_11a_9a_a_72a_18a:Ca-Na-Nb-O-S +mp-2713583,Na4Ca2Nb2Si3(SO8)3,-7.2419371551,-2.5864175821,0.1914014881,0.1914014881,GGA,P1,A2B4C2D24E3F3_aP114_1_6a_12a_6a_72a_9a_9a:Ca-Na-Nb-O-S-Si,114.0,A2B4C2D24E3F3_aP114_1_6a_12a_6a_72a_9a_9a:Ca-Na-Nb-O-S-Si +mp-2714311,Na30Ca8Nb16Si27(SO16)9,-7.542783315,-2.7847651589,0.1115727762,0.1115727762,GGA,P1,A8B30C16D144E9F27_aP234_1_8a_30a_16a_144a_9a_27a:Ca-Na-Nb-O-S-Si,234.0,A8B30C16D144E9F27_aP234_1_8a_30a_16a_144a_9a_27a:Ca-Na-Nb-O-S-Si +mp-2716571,Na30Ca4Nb20Si33(SO48)3,-7.8423533748,-2.9128991947,0.0675696302,0.0675696302,GGA,P1,A4B30C20D144E3F33_aP234_1_4a_30a_20a_144a_3a_33a:Ca-Na-Nb-O-S-Si,234.0,A4B30C20D144E3F33_aP234_1_4a_30a_20a_144a_3a_33a:Ca-Na-Nb-O-S-Si +mp-2714264,Na3Ca5Nb(SO4)9,-6.8622454626,-2.4288061528,0.0108199607,0.0108199607,GGA,P3c1,A5B3CD36E9_hP108_158_a2b2c_abc_a_12d_3d:Ca-Na-Nb-O-S,108.0,A5B3CD36E9_hP108_158_a2b2c_abc_a_12d_3d:Ca-Na-Nb-O-S +mp-2716271,Na6Ca8Nb16Si15(S7O48)3,-7.6752843335,-2.5982880311,0.0807610363,0.0807610363,GGA,P1,A8B6C16D144E21F15_aP210_1_8a_6a_16a_144a_21a_15a:Ca-Na-Nb-O-S-Si,210.0,A8B6C16D144E21F15_aP210_1_8a_6a_16a_144a_21a_15a:Ca-Na-Nb-O-S-Si +mp-2713284,Na6Ca4Nb2Si3(SO6)6,-7.0560833362,-2.5765112615,0.1097019221,0.1097019221,GGA,P3c1,A4B6C2D36E6F3_hP114_158_ab2c_abcd_ab_12d_2d_d:Ca-Na-Nb-O-S-Si,114.0,A4B6C2D36E6F3_hP114_158_ab2c_abcd_ab_12d_2d_d:Ca-Na-Nb-O-S-Si +mp-2712768,Na9Ca5NbSi3(SO6)6,-6.7542989395,-2.5675076232,0.0995696636,0.0995696636,GGA,Cc,A5B9CD36E6F3_mC240_9_5a_9a_a_36a_6a_3a:Ca-Na-Nb-O-S-Si,120.0,"Invalid WP multiplicities - A5B9CD36E6F3_mC240_9_5a_12a_a_60a_9a_4a:Ca-Na-Nb-O-S-Si, expected Na12Ca5NbSi4(S3O20)3 to be Na9Ca5NbSi3(SO6)6" +mp-757740,TiFe3Co2(PO4)6,-7.9127252214,-2.3926547951,0.033510241,0.033510241,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-Ti, expected TiFe3Co2(PO10)6 to be TiFe3Co2(PO4)6" +mp-1234130,MgTi3Fe2Co(PO4)6,-8.1055103111,-2.6856330023,0.1082235152,0.1082235152,GGA+U,P1,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti,37.0,AB2CD24E6F3_aP37_1_a_2a_a_24a_6a_3a:Co-Fe-Mg-O-P-Ti +mp-2714076,Na7Ca3Nb(PO4)6,-7.16214583,-2.8554110533,0.0311227342,0.0311227342,GGA,P1,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Ca-Na-Nb-O-P,123.0,A3B7CD24E6_aP123_1_9a_21a_3a_72a_18a:Ca-Na-Nb-O-P +mp-2713891,Na3Ca2Nb4(PO4)9,-7.9690749183,-2.8730654375,0.0352422347,0.0352422347,GGA,P3c1,A2B3C4D36E9_hP108_158_ab_abc_ab2c_12d_3d:Ca-Na-Nb-O-P,108.0,A2B3C4D36E9_hP108_158_ab_abc_ab2c_12d_3d:Ca-Na-Nb-O-P +mp-2715273,Na9Ca2Nb4Si6(PO12)3,-7.6341813234,-2.914318709,0.0604435366,0.0604435366,GGA,P1,A2B9C4D36E3F6_aP360_1_12a_54a_24a_216a_18a_36a:Ca-Na-Nb-O-P-Si,360.0,A2B9C4D36E3F6_aP360_1_12a_54a_24a_216a_18a_36a:Ca-Na-Nb-O-P-Si +mp-2715360,Na9Ca2Nb4Si6(PO12)3,-7.6144344459,-2.8945718314,0.0801904142,0.0801904142,GGA,P1,A2B9C4D36E3F6_aP120_1_4a_18a_8a_72a_6a_12a:Ca-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - A2B9C4D36E3F6_aP120_1_8a_36a_16a_144a_11a_23a:Ca-Na-Nb-O-P-Si, expected Na36Ca8Nb16Si23P11O144 to be Na9Ca2Nb4Si6(PO12)3" +mp-557786,CaNb2P2O11,-8.5238450091,-3.0583205842,0.0,-0.003847905,GGA,C2/c,AB2C11D2_mC64_15_e_f_e5f_f:Ca-Nb-O-P,32.0,"Invalid WP multiplicities - AB2C11D2_mC64_15_e_f_2e17f_f:Ca-Nb-O-P, expected CaNb2(PO18)2 to be CaNb2P2O11" +mp-2714740,Na7Ca2Nb2Si3(PO8)3,-7.3621419199,-2.8570717352,0.0846505294,0.0846505294,GGA,P1,A2B7C2D24E3F3_aP123_1_6a_21a_6a_72a_9a_9a:Ca-Na-Nb-O-P-Si,123.0,A2B7C2D24E3F3_aP123_1_6a_21a_6a_72a_9a_9a:Ca-Na-Nb-O-P-Si +mp-1234946,CaNb2(PO5)2,-8.2664694213,-2.7663559489000003,0.248381368,0.248381368,GGA,P-4m2,AB2C10D2_tP15_115_c_g_gjk_ab:Ca-Nb-O-P,15.0,"Invalid WP multiplicities - AB2C10D2_tP15_115_c_g_g3j2k_ab:Ca-Nb-O-P, expected CaNb2(PO11)2 to be CaNb2(PO5)2" +mp-2712917,Na9Ca2Nb10Si9(PO8)9,-8.102627412,-2.9617611972,0.0290920083,0.0290920083,GGA,P1,A2B9C10D72E9F9_aP111_1_2a_9a_10a_72a_9a_9a:Ca-Na-Nb-O-P-Si,111.0,A2B9C10D72E9F9_aP111_1_2a_9a_10a_72a_9a_9a:Ca-Na-Nb-O-P-Si +mp-2715920,Na5Ca2Nb2SiP5O24,-7.5239688293,-2.8563073949,0.0683630479,0.0683630479,GGA,P1,A2B5C2D24E5F_aP117_1_6a_15a_6a_72a_15a_3a:Ca-Na-Nb-O-P-Si,117.0,A2B5C2D24E5F_aP117_1_6a_15a_6a_72a_15a_3a:Ca-Na-Nb-O-P-Si +mp-2714458,Na21Ca4Nb8Si15(PO24)3,-7.536089425,-2.8987956349,0.06679516,0.06679516,GGA,P1,A4B21C8D72E3F15_aP123_1_4a_21a_8a_72a_3a_15a:Ca-Na-Nb-O-P-Si,123.0,A4B21C8D72E3F15_aP123_1_4a_21a_8a_72a_3a_15a:Ca-Na-Nb-O-P-Si +mp-2716552,Na15Ca2Nb10Si15(PO24)3,-7.9044269165,-2.958756876,0.0507397087,0.0507397087,GGA,P1,A2B15C10D72E3F15_aP117_1_2a_15a_10a_72a_3a_15a:Ca-Na-Nb-O-P-Si,117.0,A2B15C10D72E3F15_aP117_1_2a_15a_10a_72a_3a_15a:Ca-Na-Nb-O-P-Si +mp-2712644,Na6Ca2Nb4Si3(PO6)6,-7.7963586132,-2.8983211673,0.0585698311,0.0585698311,GGA,Cc,A2B6C4D36E6F3_mC228_9_2a_6a_4a_36a_6a_3a:Ca-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - A2B6C4D36E6F3_mC228_9_2a_8a_4a_72a_11a_4a:Ca-Na-Nb-O-P-Si, expected Na8Ca2Nb4Si4P11O72 to be Na6Ca2Nb4Si3(PO6)6" +mp-2715418,Na3CaNbSi(PO6)2,-7.4131656165,-2.8288321976,0.1090193643,0.1090193643,GGA,Cc,AB3CD12E2F_mC80_9_a_3a_a_12a_2a_a:Ca-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - AB3CD12E2F_mC80_9_a_3a_a_30a_2a_a:Ca-Na-Nb-O-P-Si, expected Na3CaNbSi(PO15)2 to be Na3CaNbSi(PO6)2" +mp-2715291,Na3CaNbSi(PO6)2,-7.4191901094,-2.8348566905,0.1029948714,0.1029948714,GGA,Cc,AB3CD12E2F_mC240_9_3a_9a_3a_36a_6a_3a:Ca-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12E2F_mC240_9_3a_12a_3a_60a_9a_3a:Ca-Na-Nb-O-P-Si, expected Na4CaNbSiP3O20 to be Na3CaNbSi(PO6)2" +mp-2712991,Na9Ca4Nb8Si3(P5O24)3,-7.8808470133,-2.8864988477,0.0517775536,0.0517775536,GGA,P1,A4B9C8D72E15F3_aP111_1_4a_9a_8a_72a_15a_3a:Ca-Na-Nb-O-P-Si,111.0,A4B9C8D72E15F3_aP111_1_4a_9a_8a_72a_15a_3a:Ca-Na-Nb-O-P-Si +mp-2714542,Na12Ca4Nb2Si3(PO6)6,-7.154194454,-2.8536884881,0.056567128,0.056567128,GGA,P3c1,A4B12C2D36E6F3_hP126_158_ab2c_abc3d_ab_12d_2d_d:Ca-Na-Nb-O-P-Si,126.0,A4B12C2D36E6F3_hP126_158_ab2c_abc3d_ab_12d_2d_d:Ca-Na-Nb-O-P-Si +mp-2714965,Na12Ca5Nb(PO4)9,-7.022936371,-2.8515058293,0.027580676,0.027580676,GGA,P3c1,A5B12CD36E9_hP126_158_a2b2c_abc3d_a_12d_3d:Ca-Na-Nb-O-P,126.0,A5B12CD36E9_hP126_158_a2b2c_abc3d_a_12d_3d:Ca-Na-Nb-O-P +mp-2714812,Na9Ca5Nb7(PO4)18,-7.7728077311,-2.8517185901,0.0552488745,0.0552488745,GGA,P1,A5B9C7D72E18_aP111_1_5a_9a_7a_72a_18a:Ca-Na-Nb-O-P,111.0,A5B9C7D72E18_aP111_1_5a_9a_7a_72a_18a:Ca-Na-Nb-O-P +mp-2713921,CaNb5(PO4)9,-8.3712621464,-2.8945436906,0.0,-0.0032872026,GGA,P3c1,AB5C36D9_hP102_158_a_a2b2c_12d_3d:Ca-Nb-O-P,102.0,AB5C36D9_hP102_158_a_a2b2c_12d_3d:Ca-Nb-O-P +mp-2715218,Na6CaNb5Si6(PO12)3,-7.9975272336,-2.9568274767,0.0459749373,0.0459749373,GGA,Cc,AB6C5D36E3F6_mC228_9_a_6a_5a_36a_3a_6a:Ca-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB6C5D36E3F6_mC228_9_a_8a_5a_72a_4a_11a:Ca-Na-Nb-O-P-Si, expected Na8CaNb5Si11(PO18)4 to be Na6CaNb5Si6(PO12)3" +mp-2714182,Na15Ca4Nb8Si9(PO8)9,-7.7097652454,-2.9030995079,0.0663947768,0.0663947768,GGA,P1,A4B15C8D72E9F9_aP117_1_4a_15a_8a_72a_9a_9a:Ca-Na-Nb-O-P-Si,117.0,A4B15C8D72E9F9_aP117_1_4a_15a_8a_72a_9a_9a:Ca-Na-Nb-O-P-Si +mp-555424,CaNb2(P2O7)3,-8.1492066802,-2.8635904156,0.0,-0.0031901145,GGA,C2/m,AB2C21D6_mC120_12_i_gi_h4i8j_2i2j:Ca-Nb-O-P,60.0,"Invalid WP multiplicities - AB2C21D6_mC120_12_i_g2i_2h8i28j_4i6j:Ca-Nb-O-P, expected CaNb3(P8O33)2 to be CaNb2(P2O7)3" +mp-2716257,Na4CaNbSi2PO12,-7.2550139179,-2.8254325277000003,0.1089950657,0.1089950657,GGA,Cc,AB4CD12EF2_mC84_9_a_4a_a_12a_a_2a:Ca-Na-Nb-O-P-Si,126.0,"Invalid WP multiplicities - AB4CD12EF2_mC84_9_a_19a_a_72a_a_12a:Ca-Na-Nb-O-P-Si, expected Na19CaNbSi12PO72 to be Na4CaNbSi2PO12" +mp-2715746,Na21Ca8Nb4Si3(P5O24)3,-7.2263414366,-2.8534948572000003,0.0542575293,0.0542575293,GGA,P1,A8B21C4D72E15F3_aP123_1_8a_21a_4a_72a_15a_3a:Ca-Na-Nb-O-P-Si,123.0,A8B21C4D72E15F3_aP123_1_8a_21a_4a_72a_15a_3a:Ca-Na-Nb-O-P-Si +mp-776142,NbFe3Cu2(PO4)6,-7.7297980544,-2.3156278844,0.0550910962,0.0550910962,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cu-Fe-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_2b:Cu-Fe-Nb-O-P, expected NbFe3Cu2(PO11)6 to be NbFe3Cu2(PO4)6" +mp-757923,Li4Nb2Fe3Cu3O16,-7.1009743007,-1.9333669948,0.0489970114,0.0489970114,GGA+U,P1,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Cu-Fe-Li-Nb-O,28.0,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Cu-Fe-Li-Nb-O +mp-1177343,Li4Nb2Fe3Cu3O16,-7.0963552082,-1.9287479023,0.0536161039,0.0536161039,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Cu-Fe-Li-Nb-O,28.0,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Cu-Fe-Li-Nb-O +mp-776163,Li8NbFe7(PO4)12,-7.5915607567,-2.4986196427,0.0071443158,0.0071443158,GGA+U,P1,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Nb-O-P,76.0,A7B8CD48E12_aP76_1_7a_8a_a_48a_12a:Fe-Li-Nb-O-P +mp-777855,Li4NbFe3Cu2(PO4)6,-7.4316007703,-2.3679553306,0.1010388526,0.1010388526,GGA+U,P1,A2B3C4DE24F6_aP40_1_2a_3a_4a_a_24a_6a:Cu-Fe-Li-Nb-O-P,40.0,A2B3C4DE24F6_aP40_1_2a_3a_4a_a_24a_6a:Cu-Fe-Li-Nb-O-P +mp-759245,Li4NbFe5(PO4)6,-7.7138032582,-2.4316170916,0.1019660425,0.1019660425,GGA+U,P1,A5B4CD24E6_aP40_1_5a_4a_a_24a_6a:Fe-Li-Nb-O-P,40.0,A5B4CD24E6_aP40_1_5a_4a_a_24a_6a:Fe-Li-Nb-O-P +mp-2716156,Na8NbAl3Si4(PO12)2,-7.2512074014,-2.8900968995,0.0670228188,0.0670228188,GGA,P1,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:Al-Na-Nb-O-P-Si,126.0,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:Al-Na-Nb-O-P-Si +mp-2714800,Na7NbAl3Si3(PO8)3,-7.3262148305,-2.8912855558,0.0568454821,0.0568454821,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Al-Na-Nb-O-P-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:Al-Na-Nb-O-P-Si +mp-2713245,Na4NbAl3(PO4)6,-7.5767073413,-2.8970105567,0.0145675955,0.0145675955,GGA,P1,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:Al-Na-Nb-O-P,114.0,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:Al-Na-Nb-O-P +mp-2713177,NaNbAl(PO4)3,-7.9616491908,-2.9188948454,0.0,-0.0046144894,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Al-Na-Nb-O-P,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Al-Na-Nb-O-P, expected NaNbAl(PO12)3 to be NaNbAl(PO4)3" +mp-2714737,Na6Nb3Al5(PO4)12,-7.761458926,-2.9051395442,0.0099980804,0.0099980804,GGA,P1,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:Al-Na-Nb-O-P,222.0,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:Al-Na-Nb-O-P +mp-2715392,Na6NbAl3Si2(PO6)4,-7.403208645,-2.8907696588,0.0479232645,0.0479232645,GGA,P1,A3B6CD24E4F2_aP40_1_3a_6a_a_24a_4a_2a:Al-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - A3B6CD24E4F2_aP40_1_6a_12a_a_48a_8a_4a:Al-Na-Nb-O-P-Si, expected Na12NbAl6Si4(PO6)8 to be Na6NbAl3Si2(PO6)4" +mp-2715452,Na6NbAl3Si2(PO6)4,-7.4055450228,-2.8931060366,0.0455868866,0.0455868866,GGA,P1,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:Al-Na-Nb-O-P-Si,120.0,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:Al-Na-Nb-O-P-Si +mp-2715510,Na3NbAlSi2PO12,-7.5858522851,-2.9139192925,0.0683240242,0.0683240242,GGA,Cc,AB3CD12EF2_mC240_9_3a_9a_3a_36a_3a_6a:Al-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - AB3CD12EF2_mC240_9_10a_30a_10a_132a_10a_22a:Al-Na-Nb-O-P-Si, expected Na15Nb5Al5Si11P5O66 to be Na3NbAlSi2PO12" +mp-2715335,Na3NbAlSi2PO12,-7.5837488066,-2.911815814,0.0704275027,0.0704275027,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:Al-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:Al-Na-Nb-O-P-Si, expected Na13NbAlSi12PO72 to be Na3NbAlSi2PO12" +mp-2714247,Na5NbAl3SiP5O24,-7.487815576,-2.8938920214,0.0340943605,0.0340943605,GGA,P1,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:Al-Na-Nb-O-P-Si,117.0,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:Al-Na-Nb-O-P-Si +mp-2715720,Na2Nb3AlSi2(PO6)4,-8.175902682,-2.9559327739,0.0188011719,0.0188011719,GGA,P1,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:Al-Na-Nb-O-P-Si,108.0,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:Al-Na-Nb-O-P-Si +mp-2713950,Nb3Al(PO4)6,-8.3556250216,-2.907100461,0.0075696399,-0.0100616085,GGA,P3,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:Al-Nb-O-P,102.0,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:Al-Nb-O-P +mp-1220763,Nb3Al(PO4)6,-8.3631946615,-2.9146701009,0.0,-0.0176312484,GGA,R3,AB3C24D6_hR102_146_a_3a_8b_2b:Al-Nb-O-P,34.0,AB3C24D6_hR102_146_a_3a_8b_2b:Al-Nb-O-P +mp-2715624,NaNb3AlSiP5O24,-8.2729862847,-2.9420041168,0.0115706193,0.0115706193,GGA,P1,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:Al-Na-Nb-O-P-Si,105.0,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:Al-Na-Nb-O-P-Si +mp-2714054,Na5Nb2Al2Si3(PO8)3,-7.6694259696,-2.9119188186,0.0599502123,0.0599502123,GGA,P1,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:Al-Na-Nb-O-P-Si,117.0,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:Al-Na-Nb-O-P-Si +mp-2716481,Na5Nb3AlSi5PO24,-7.8837111668,-2.9626204195,0.0515860128,0.0515860128,GGA,P1,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:Al-Na-Nb-O-P-Si,117.0,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:Al-Na-Nb-O-P-Si +mp-2713754,Na2Nb5Al3(PO4)12,-8.1550041136,-2.9151613779,0.0016814487,0.0016814487,GGA,P1,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:Al-Na-Nb-O-P,210.0,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:Al-Na-Nb-O-P +mp-2714444,Na7Nb2Al2Si5PO24,-7.5054898424,-2.914956659,0.0699520176,0.0699520176,GGA,P1,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:Al-Na-Nb-O-P-Si,123.0,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:Al-Na-Nb-O-P-Si +mp-2712955,Na3Nb2Al2SiP5O24,-7.8549924367,-2.9124600785,0.0298425139,0.0298425139,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Al-Na-Nb-O-P-Si,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Al-Na-Nb-O-P-Si +mp-2716336,Na10NbAl7(PO4)12,-7.4002910262,-2.8881592697,0.0178792561,0.0178792561,GGA,P1,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:Al-Na-Nb-O-P,234.0,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:Al-Na-Nb-O-P +mp-2712583,Na2NbAlSi(PO6)2,-7.7590632993,-2.9114780869,0.047788965,0.047788965,GGA,Cc,AB2CD12E2F_mC228_9_3a_6a_3a_36a_6a_3a:Al-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12E2F_mC228_9_3a_6a_3a_72a_10a_3a:Al-Na-Nb-O-P-Si, expected Na6Nb3Al3Si3(P5O36)2 to be Na2NbAlSi(PO6)2" +mp-2712971,Na3Nb3AlSi3(PO8)3,-8.0750730324,-2.9601147213,0.0319586198,0.0319586198,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Na-Nb-O-P-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Na-Nb-O-P-Si +mp-2715097,Na4Nb3AlSi4(PO12)2,-7.9728781012,-2.9574044610000003,0.0469268599,0.0469268599,GGA,P1,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:Al-Na-Nb-O-P-Si,114.0,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:Al-Na-Nb-O-P-Si +mp-849378,Li4Co3Ni3(SnO8)2,-6.3577889364,-1.5911025799,0.0167459168,0.0167459168,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Co-Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Co-Li-Ni-O-Sn, expected Li4Co3Ni3(SnO10)2 to be Li4Co3Ni3(SnO8)2" +mp-1662637,Li2CoSn(PO4)2,-7.0261235286,-2.3592770938,0.0808058442,0.0808058442,GGA+U,P1,AB2C8D2E_aP28_1_2a_4a_16a_4a_2a:Co-Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB2C8D2E_aP28_2_i_acfh_10i_2i_i:Co-Li-O-P-Sn, expected Li2CoSn(PO5)2 to be Li2CoSn(PO4)2" +mp-1662988,Li2CoSn(PO4)2,-7.0262677457,-2.359421311,0.0806616271,0.0806616271,GGA+U,P-1,AB2C8D2E_aP28_2_i_acfh_8i_2i_i:Co-Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB2C8D2E_aP28_2_i_acfh_10i_2i_i:Co-Li-O-P-Sn, expected Li2CoSn(PO5)2 to be Li2CoSn(PO4)2" +mp-1661729,Li2CoSn(PO4)2,-7.0305753582,-2.3637289235,0.0763540146,0.0763540146,GGA+U,P2_1,AB2C8D2E_mP56_4_2a_4a_16a_4a_2a:Co-Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB2C8D2E_mP56_4_3a_7a_28a_6a_3a:Co-Li-O-P-Sn, expected Li7Co3Sn3(P3O14)2 to be Li2CoSn(PO4)2" +mp-1662777,Li2CoSn(PO4)2,-7.0325975052,-2.3657510704,0.0743318676,0.0743318676,GGA+U,Pm,AB2C8D2E_mP56_6_2a2b_4c_8a8b8c_4a4b_2a2b:Co-Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB2C8D2E_mP56_6_2a2b_8c_8a8b16c_4a4b_2a2b:Co-Li-O-P-Sn, expected Li4CoSn(PO6)2 to be Li2CoSn(PO4)2" +mp-753250,Li2CoSn(PO4)2,-7.0224533077,-2.3556068729,0.0844760651,0.0844760651,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Co-Li-O-P-Sn,56.0,AB2C8D2E_mP28_11_e_ab_4e2f_2e_e:Co-Li-O-P-Sn +mp-1662960,Li2CoSn(PO4)2,-7.0325219854,-2.3656755506,0.0744073874,0.0744073874,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Co-Li-O-P-Sn,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_11_e_ab_7e4f_3e_e:Co-Li-O-P-Sn, expected Li2CoSn(PO5)3 to be Li2CoSn(PO4)2" +mp-1661734,Li2CoSn(PO4)2,-7.0265130918,-2.359666657,0.080416281,0.080416281,GGA+U,P2_1/c,AB2C8D2E_mP56_14_e_ace_8e_2e_e:Co-Li-O-P-Sn,56.0,"Invalid WP multiplicities - AB2C8D2E_mP56_14_e_2ace_16e_2e_e:Co-Li-O-P-Sn, expected Li5Co2Sn2(PO8)4 to be Li2CoSn(PO4)2" +mp-758057,Li4CoSn3(PO4)4,-6.934393595,-2.3782166581,0.0775514092,0.0775514092,GGA+U,Pm,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Co-Li-O-P-Sn,28.0,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Co-Li-O-P-Sn +mp-774657,Li4Co3Ni2Sn3O16,-6.38793745,-1.6844855515,0.057605686,0.057605686,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Co-Li-Ni-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Co-Li-Ni-O-Sn, expected Li4Co3Ni2Sn3O20 to be Li4Co3Ni2Sn3O16" +mp-757004,Li4Co3Sn(PO4)4,-7.0818787271,-2.3043627945000003,0.1200350143,0.1200350143,GGA+U,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Co-Li-O-P-Sn,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Co-Li-O-P-Sn +mp-776757,Li4Co2Ni3Sn(PO4)6,-7.09763993,-2.2375736035,0.1391371205,0.1391371205,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Co-Li-Ni-O-P-Sn,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Co-Li-Ni-O-P-Sn +mp-770199,Li2CoSn3(PO4)6,-7.2311411531,-2.3934960641,0.0421533074,0.0421533074,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Co-Li-O-P-Sn,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Co-Li-O-P-Sn, expected Li2CoSn3(PO10)6 to be Li2CoSn3(PO4)6" +mp-2231369,Rb2MgTi2Zn2(OF5)2,-5.6376634858,-2.9597694571,0.2606519658,0.2606519658,GGA,P1,A10BC2D2E2F2_aP19_1_10a_a_2a_2a_2a_2a:F-Mg-O-Rb-Ti-Zn,19.0,A10BC2D2E2F2_aP19_1_10a_a_2a_2a_2a_2a:F-Mg-O-Rb-Ti-Zn +mp-2230467,Rb2MgTi2Zn2(OF5)2,-5.6620188995,-2.9841248707,0.2362965522,0.2362965522,GGA,C2/m,A10BC2D2E2F2_mC38_12_i2j_b_i_i_e_ac:F-Mg-O-Rb-Ti-Zn,19.0,"Invalid WP multiplicities - A10BC2D2E2F2_mC38_12_2i7j_a_i_i_f_bc:F-Mg-O-Rb-Ti-Zn, expected Rb2MgTi2Zn2(OF16)2 to be Rb2MgTi2Zn2(OF5)2" +mp-41837,RbTiZnOF5,-5.930136585,-3.192375113,7.822040000000001e-05,7.822040000000001e-05,GGA,Imma,A5BCDE_oI36_74_ej_e_e_a_c:F-O-Rb-Ti-Zn,18.0,"Invalid WP multiplicities - A5BCDE_oI36_74_2e2j_e_e_a_c:F-O-Rb-Ti-Zn, expected RbTiZnOF10 to be RbTiZnOF5" +mp-644028,Fe2CuAs2(HO5)2,-6.5572838359,-1.4625882416,0.0643509854,0.0643509854,GGA+U,P-1,A2BC2D2E10_aP17_2_i_a_i_i_5i:As-Cu-Fe-H-O,17.0,A2BC2D2E10_aP17_2_i_a_i_i_5i:As-Cu-Fe-H-O +mp-759269,Fe2CuAs2(HO5)2,-6.5186822012,-1.4239866069,0.1029526201,0.1029526201,GGA+U,P-1,A2BC2D2E10_aP17_2_i_a_i_i_5i:As-Cu-Fe-H-O,17.0,"Invalid WP multiplicities - A2BC2D2E10_aP17_2_i_a_i_i_9i:As-Cu-Fe-H-O, expected Fe2CuAs2(HO9)2 to be Fe2CuAs2(HO5)2" +mp-764827,Fe2CuAs2(HO5)2,-6.3382571166,-1.2435615224,0.2833777046,0.2833777046,GGA+U,Pbca,A2BC2D2E10_oP136_61_2c_c_2c_2c_10c:As-Cu-Fe-H-O,136.0,"Invalid WP multiplicities - A2BC2D2E10_oP136_61_5c_c_5c_5c_37c:As-Cu-Fe-H-O, expected Fe5CuAs5H5O37 to be Fe2CuAs2(HO5)2" +mp-2228370,MgFe2CuAs2(HO5)2,-6.5161987628,-1.6156373654,0.113662382,0.113662382,GGA+U,P1,A2BC2D2EF10_aP18_1_2a_a_2a_2a_a_10a:As-Cu-Fe-H-Mg-O,18.0,A2BC2D2EF10_aP18_1_2a_a_2a_2a_a_10a:As-Cu-Fe-H-Mg-O +mp-2228375,MgFe2CuAs2(HO5)2,-6.4391659244,-1.5386045271,0.1906952203,0.1906952203,GGA+U,P1,A2BC2D2EF10_aP18_1_2a_a_2a_2a_a_10a:As-Cu-Fe-H-Mg-O,18.0,A2BC2D2EF10_aP18_1_2a_a_2a_2a_a_10a:As-Cu-Fe-H-Mg-O +mp-556338,RbMnPO4,-7.6421229046,-2.5931790880000003,0.0,-0.0485909329,GGA+U,P2_1,AB4CD_mP28_4_2a_8a_2a_2a:Mn-O-P-Rb,28.0,"Invalid WP multiplicities - AB4CD_mP28_4_4a_8a_2a_2a:Mn-O-P-Rb, expected RbMn2PO4 to be RbMnPO4" +mp-1203377,RbMnP2O7,-7.6370806189,-2.582901041,0.0,-0.0321365006,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Mn-O-P-Rb +mp-18873,Rb2NaMnO4,-5.8476503712,-1.8186049243,0.0,-0.1315438423,GGA+U,P2_1/m,ABC4D2_mP16_11_e_e_2ef_2e:Mn-Na-O-Rb,16.0,"Invalid WP multiplicities - ABC4D2_mP16_11_e_e_4ef_2e:Mn-Na-O-Rb, expected Rb2NaMnO6 to be Rb2NaMnO4" +mp-559207,Rb2Mn(PO3)4,-7.5024574775,-2.6531649513,0.0,-0.0127504345,GGA+U,P2_1/c,AB12C4D2_mP76_14_e_12e_4e_2e:Mn-O-P-Rb,76.0,"Invalid WP multiplicities - AB12C4D2_mP76_14_e_41e_14e_5e:Mn-O-P-Rb, expected Rb5MnP14O41 to be Rb2Mn(PO3)4" +mp-558402,Mn2PClO4,-8.0750890856,-2.4035110111,0.0,-0.0526759871,GGA+U,Pna2_1,AB2C4D_oP32_33_a_2a_4a_a:Cl-Mn-O-P,32.0,"Invalid WP multiplicities - AB2C4D_oP32_33_a_4a_4a_a:Cl-Mn-O-P, expected Mn4PClO4 to be Mn2PClO4" +mp-560306,RbMn4(PO4)3,-8.2249242264,-2.5634858616,0.0001474943,0.0001474943,GGA+U,Pnnm,A4B12C3D_oP80_58_2gh_6g3h_3g_g:Mn-O-P-Rb,80.0,"Invalid WP multiplicities - A4B12C3D_oP80_58_7g4h_22g21h_10g_g:Mn-O-P-Rb, expected RbMn15(P5O32)2 to be RbMn4(PO4)3" +mp-1194649,RbNa2Mn3P4ClO14,-7.529785327,-2.5751045598,0.0,-0.0075004307,GGA+U,C2/c,AB3C2D14E4F_mC100_15_e_ef_f_7f_2f_a:Cl-Mn-Na-O-P-Rb,50.0,AB3C2D14E4F_mC100_15_e_ef_f_7f_2f_a:Cl-Mn-Na-O-P-Rb +mp-1210668,Mn5P3ClO12,-8.3425609698,-2.473095009,0.019690781,0.019690781,GGA+U,P6_3/m,AB5C12D3_hP42_176_a_fh_2hi_h:Cl-Mn-O-P,42.0,AB5C12D3_hP42_176_a_fh_2hi_h:Cl-Mn-O-P +mp-2713302,Na2LaZr(PO4)3,-7.9039459197,-3.0761074788,0.0688396469,0.0688396469,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:La-Na-O-P-Zr,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:La-Na-O-P-Zr, expected Na2LaZr(PO4)18 to be Na2LaZr(PO4)3" +mp-2715128,Na7La2Zr2Si3(PO8)3,-7.6415457676,-3.06931447,0.0550764894,0.0550764894,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Zr,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:La-Na-O-P-Si-Zr +mp-2714114,Na5La2Zr2SiP5O24,-7.8176597691,-3.0793930622,0.0627885954,0.0627885954,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-Si-Zr +mp-2715586,Na4LaZrSi2PO12,-7.5250823634,-3.0299389343,0.071045547,0.071045547,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:La-Na-O-P-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:La-Na-O-P-Si-Zr, expected Na19LaZrSi12PO72 to be Na4LaZrSi2PO12" +mp-2715398,Na3LaZrSi(PO6)2,-7.6997269736,-3.0465534139,0.0930010489,0.0930010489,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:La-Na-O-P-Si-Zr,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:La-Na-O-P-Si-Zr, expected Na3LaZrSi(PO15)2 to be Na3LaZrSi(PO6)2" +mp-2715330,Na3LaZrSi(PO6)2,-7.702775757299999,-3.0496021976,0.0899522652,0.0899522652,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:La-Na-O-P-Si-Zr,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:La-Na-O-P-Si-Zr, expected Na14La3Zr3Si3(P5O36)2 to be Na3LaZrSi(PO6)2" +mp-2716564,Na3LaZr3(PO4)6,-8.1460397135,-3.1258497409,0.0309642772,0.0309642772,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Zr,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:La-Na-O-P-Zr +mp-1210466,Na2MgScF7,-5.8826200455,-3.7046061805,0.0,-0.0033338897,GGA,Imma,A7BC2D_oI44_74_ehj_c_ad_b:F-Mg-Na-Sc,22.0,"Invalid WP multiplicities - A7BC2D_oI44_74_2e2hj_c_ad_b:F-Mg-Na-Sc, expected Na2MgScF10 to be Na2MgScF7" +mp-1173738,Na3Mg4ScSi8(O11F)2,-7.5682054742,-3.2493599991,0.0003543365,-0.0105110619,GGA,P1,A2B4C3D22EF8_aP40_1_2a_4a_3a_22a_a_8a:F-Mg-Na-O-Sc-Si,40.0,A2B4C3D22EF8_aP40_1_2a_4a_3a_22a_a_8a:F-Mg-Na-O-Sc-Si +mp-1173812,Na3Mg4ScSi8(O11F)2,-7.5685598108,-3.2497143356,0.0,-0.0108653984,GGA,C2/c,A2B4C3D22EF8_mC160_15_f_2ef_ef_11f_e_4f:F-Mg-Na-O-Sc-Si,80.0,"Invalid WP multiplicities - A2B4C3D22EF8_mC160_15_f_4e2f_2e2f_42f_e_14f:F-Mg-Na-O-Sc-Si, expected Na6Mg8ScSi28(O42F)2 to be Na3Mg4ScSi8(O11F)2" +mp-1173606,Rb8Ti3Cr2Ni3(P2O7)8,-7.616537540499999,-2.7096663865,0.0,-0.007812526,GGA+U,P1,A2B3C56D16E8F3_aP88_1_2a_3a_56a_16a_8a_3a:Cr-Ni-O-P-Rb-Ti,88.0,A2B3C56D16E8F3_aP88_1_2a_3a_56a_16a_8a_3a:Cr-Ni-O-P-Rb-Ti +mp-1196895,RbCrP2O7,-7.7807893384,-2.6819704716,0.0,-0.0471313183,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Rb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Cr-O-P-Rb +mp-2715337,Na3ScTiSi(PO6)2,-7.7104413332,-3.0200551041,0.0455257819,0.0455257819,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Sc-Si-Ti,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Sc-Si-Ti, expected Na14Sc3Ti3Si3(P5O36)2 to be Na3ScTiSi(PO6)2" +mp-2715345,Na3ScTiSi(PO6)2,-7.7092696781,-3.0188834491,0.0466974369,0.0466974369,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Sc-Si-Ti,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Sc-Si-Ti, expected Na3ScTiSi(PO15)2 to be Na3ScTiSi(PO6)2" +mp-2713567,Na2ScTi(PO4)3,-7.8953377082,-3.0283280365,0.0223401543,0.0223401543,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Sc-Ti,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Sc-Ti, expected Na2ScTi(PO4)18 to be Na2ScTi(PO4)3" +mp-2716412,Na5Sc3Ti(PO4)6,-7.7819447053,-3.0458967589,0.0178196223,0.0178196223,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Ti,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Ti +mp-2714906,Na7Sc2Ti2Si3(PO8)3,-7.6350814594,-3.0265451185,0.0339371515,0.0339371515,GGA,P1,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Ti,123.0,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Ti +mp-2714045,Na5Sc2Ti2SiP5O24,-7.8054599986,-3.0290264514,0.0313337714,0.0313337714,GGA,P1,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Ti,117.0,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Ti +mp-2714805,Na3ScTi3(PO4)6,-8.0279570483,-3.022906639,0.0140080537,0.0140080537,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Ti,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Ti +mp-2716142,Na4ScTiSi2PO12,-7.54116392,-3.0105798535,0.0390084384,0.0390084384,GGA,Cc,A4B12CDE2F_mC84_9_4a_12a_a_a_2a_a:Na-O-P-Sc-Si-Ti,126.0,"Invalid WP multiplicities - A4B12CDE2F_mC84_9_19a_72a_a_a_12a_a:Na-O-P-Sc-Si-Ti, expected Na19ScTiSi12PO72 to be Na4ScTiSi2PO12" +mp-769078,Na2Li3Ti3Al(PO4)6,-7.6842858446,-2.8893059683,0.064632444,0.064632444,GGA,R3,AB3C2D24E6F3_hR117_146_a_b_2a_8b_2b_3a:Al-Li-Na-O-P-Ti,39.0,"Invalid WP multiplicities - AB3C2D24E6F3_hR117_146_a_b_2a_24b_2b_3a:Al-Li-Na-O-P-Ti, expected Na2Li3Ti3Al(PO12)6 to be Na2Li3Ti3Al(PO4)6" +mp-776523,NaLi3Ti2Al2(PO4)6,-7.7374099495,-2.9602580101,0.0370052318,0.0370052318,GGA,P1,A2B3CD24E6F2_aP38_1_2a_3a_a_24a_6a_2a:Al-Li-Na-O-P-Ti,38.0,A2B3CD24E6F2_aP38_1_2a_3a_a_24a_6a_2a:Al-Li-Na-O-P-Ti +mp-769073,Na2LiTi3Al(PO4)6,-7.9392891984,-2.9883062404,0.0144810844,0.0144810844,GGA,P1,ABC2D24E6F3_aP37_1_a_a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti,37.0,ABC2D24E6F3_aP37_1_a_a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti +mp-769074,Na2LiTi3Al(PO4)6,-7.9420025876,-2.9910196296,0.0117676952,0.0117676952,GGA,P1,ABC2D24E6F3_aP37_1_a_a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti,37.0,ABC2D24E6F3_aP37_1_a_a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti +mp-776520,NaLiTiAl(PO4)3,-7.7215183355,-2.9597979112,0.0244117212,0.0244117212,GGA,C2,ABCD12E3F_mC76_5_c_c_c_12c_ab2c_c:Al-Li-Na-O-P-Ti,38.0,"Invalid WP multiplicities - ABCD12E3F_mC76_5_c_c_c_24c_ab2c_c:Al-Li-Na-O-P-Ti, expected NaLiTiAl(PO8)3 to be NaLiTiAl(PO4)3" +mp-9719,Na2LiAlP2,-3.8242941329,-0.6366017501,0.0,-0.0733681432,GGA,Cmce,ABC2D2_oC48_64_d_d_ef_ef:Al-Li-Na-P,24.0,"Invalid WP multiplicities - ABC2D2_oC48_64_d_d_2e2f_ef:Al-Li-Na-P, expected Na4LiAlP2 to be Na2LiAlP2" +mp-769069,Na2Li4Ti3Al(PO4)6,-7.5652125673,-2.8423841162,0.0887691852,0.0887691852,GGA,P1,AB4C2D24E6F3_aP40_1_a_4a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti,40.0,AB4C2D24E6F3_aP40_1_a_4a_2a_24a_6a_3a:Al-Li-Na-O-P-Ti +mp-1223575,KNaCaSi8Ni5O24,-7.512615427,-2.6260584062,0.0008144295,0.0008144295,GGA+U,P1,ABCD5E24F8_aP40_1_a_a_a_5a_24a_8a:Ca-K-Na-Ni-O-Si,40.0,ABCD5E24F8_aP40_1_a_a_a_5a_24a_8a:Ca-K-Na-Ni-O-Si +mp-675987,Ag7(SI)2,-2.9528014409,-0.1302992175,0.1741246058,0.1741246058,GGA,P1,A7B2C2_aP11_1_7a_2a_2a:Ag-I-S,11.0,A7B2C2_aP11_1_7a_2a_2a:Ag-I-S +mp-1247930,Ag7(SI)2,-2.9691523764000003,-0.146650153,0.1577736703,0.1577736703,GGA,P1,A7B2C2_aP11_1_7a_2a_2a:Ag-I-S,11.0,A7B2C2_aP11_1_7a_2a_2a:Ag-I-S +mp-632480,Ag3SI,-3.091646502,-0.2701496566,0.064716549,0.064716549,GGA,P1,A3BC_aP5_1_3a_a_a:Ag-I-S,5.0,A3BC_aP5_1_3a_a_a:Ag-I-S +mp-676121,Ag3SI,-3.091394415,-0.2698975696,0.064968636,0.064968636,GGA,P1,A3BC_aP10_1_6a_2a_2a:Ag-I-S,10.0,A3BC_aP10_1_6a_2a_2a:Ag-I-S +mp-673825,Ag3SI,-3.080563733,-0.2590668876,0.075799318,0.075799318,GGA,P1,A3BC_aP10_1_6a_2a_2a:Ag-I-S,10.0,A3BC_aP10_1_6a_2a_2a:Ag-I-S +mp-675879,Ag3SI,-3.089818992,-0.2683221466,0.066544059,0.066544059,GGA,P2_1,A3BC_mP10_4_3a_a_a:Ag-I-S,10.0,"Invalid WP multiplicities - A3BC_mP10_4_4a_a_a:Ag-I-S, expected Ag4SI to be Ag3SI" +mp-674981,Ag3SI,-3.08810371,-0.2666068646,0.068259341,0.068259341,GGA,Pm,A3BC_mP5_6_2ab_b_a:Ag-I-S,5.0,A3BC_mP5_6_2ab_b_a:Ag-I-S +mp-1173025,Ag3SI,-3.078653433,-0.2571565876,0.077709618,0.077709618,GGA,Fmm2,A3BC_oF40_42_2abc_d_c:Ag-I-S,10.0,"Invalid WP multiplicities - A3BC_oF40_42_2a2b2c_d_c:Ag-I-S, expected Ag5SI to be Ag3SI" +mp-22995,Ag3SI,-3.098510538,-0.2770136926,0.057852513,0.057852513,GGA,R3,A3BC_hR15_146_b_a_a:Ag-I-S,5.0,A3BC_hR15_146_b_a_a:Ag-I-S +mp-676561,Ag3SI,-3.08771653,-0.2662196846,0.068646521,0.068646521,GGA,R32,A3BC_hR15_155_d_a_b:Ag-I-S,5.0,A3BC_hR15_155_d_a_b:Ag-I-S +mp-558189,Ag3SI,-3.04893323,-0.2274363846,0.107429821,0.107429821,GGA,Pm-3m,A3BC_cP5_221_c_a_b:Ag-I-S,5.0,A3BC_cP5_221_c_a_b:Ag-I-S +mp-23140,AgHgSI,-2.6299371387,-0.4434239924,0.0,-0.0013435531,GGA,P2_12_12_1,ABCD_oP16_19_a_a_a_a:Ag-Hg-I-S,16.0,ABCD_oP16_19_a_a_a_a:Ag-Hg-I-S +mp-558446,AgHgSI,-2.6288716337,-0.4423584874,0.001065505,-0.0002780481,GGA,Pmma,ABCD_oP16_51_j_ae_2f_i:Ag-Hg-I-S,16.0,"Invalid WP multiplicities - ABCD_oP16_51_j_2a2e_4f_i:Ag-Hg-I-S, expected AgHg2SI2 to be AgHgSI" +mp-1215087,Ag3SI3,-1.74266644,0.6936502638,1.1186793896,1.1186793896,GGA,P1,A3B3C_aP7_1_3a_3a_a:Ag-I-S,7.0,A3B3C_aP7_1_3a_3a_a:Ag-I-S +mp-1215096,Ag3SI3,-1.7477549343,0.6885617696,1.1135908953,1.1135908953,GGA,Cm,A3B3C_mC14_8_ab_ab_a:Ag-I-S,7.0,A3B3C_mC14_8_ab_ab_a:Ag-I-S +mp-23586,Hg6S4Br3Cl,-2.4313267018,-0.6545050370000001,0.0014499731,0.0014499731,GGA,C2/m,A3BC6D4_mC56_12_ab2i_i_2i2j_2j:Br-Cl-Hg-S,28.0,"Invalid WP multiplicities - A3BC6D4_mC56_12_ab2i_i_2i2j_3j:Br-Cl-Hg-S, expected Hg6S6Br3Cl to be Hg6S4Br3Cl" +mp-1229151,Ag15S5I4Br,-3.1199136096,-0.295230285,0.0540677842,0.0540677842,GGA,P1,A15BC4D5_aP25_1_15a_a_4a_5a:Ag-Br-I-S,25.0,A15BC4D5_aP25_1_15a_a_4a_5a:Ag-Br-I-S +mp-1212237,Hg3S2BrCl,-2.4675652021,-0.6696357995000001,0.0031874445,0.0031874445,GGA,C2/m,ABC3D2_mC56_12_2i_2i_eg2ij_2j:Br-Cl-Hg-S,28.0,ABC3D2_mC56_12_2i_2i_eh2ij_2j:Br-Cl-Hg-S +mp-542474,Hg3S2ICl,-2.3681694061,-0.5816202863000001,0.0139211625,0.0139211625,GGA,C2/m,AB3CD2_mC56_12_2i_eg2ij_2i_2j:Cl-Hg-I-S,28.0,AB3CD2_mC56_12_2i_eg2ij_2i_2j:Cl-Hg-I-S +mp-1191374,Hg4S(ICl2)2,-2.061312675,-0.6347626144,0.1669206711,0.1669206711,GGA,P2_1/c,A4B4C2D_mP22_14_2e_2e_e_a:Cl-Hg-I-S,22.0,A4B4C2D_mP22_14_2e_2e_e_a:Cl-Hg-I-S +mp-556866,Ag2HgSI2,-2.6384331792,-0.4631040227,0.0,-0.0021989233,GGA,Cmc2_1,A2BC2D_oC24_36_b_a_b_a:Ag-Hg-I-S,12.0,A2BC2D_oC24_36_b_a_b_a:Ag-Hg-I-S +mp-1215073,Ag12SI,-1.2590918743,1.5695144298,1.6891095032,1.6891095032,GGA,Pm-3m,A12BC_cP14_221_h_a_b:Ag-I-S,14.0,A12BC_cP14_221_h_a_b:Ag-I-S +mp-1229155,Ag4Hg4S4BrCl3,-2.868467435,-0.6066309818,0.0,-0.020711105,GGA,P1,A4BC3D4E4_aP16_1_4a_a_3a_4a_4a:Ag-Br-Cl-Hg-S,16.0,A4BC3D4E4_aP16_1_4a_a_3a_4a_4a:Ag-Br-Cl-Hg-S +mp-1229204,Ag4Hg5S5IBrCl2,-2.771694655,-0.5353422565,0.0069869339,0.0069869339,GGA,P2,A4BC2D5EF5_mP36_3_4e_e_2e_ad4e_e_bc4e:Ag-Br-Cl-Hg-I-S,36.0,A4BC2D5EF5_mP36_3_4e_e_2e_ac4e_e_bd4e:Ag-Br-Cl-Hg-I-S +mp-560067,AgHgSBr,-2.7760383462,-0.5696097049000001,0.0,-0.0272151173,GGA,Pmma,ABCD_oP16_51_j_2f_ae_i:Ag-Br-Hg-S,16.0,"Invalid WP multiplicities - ABCD_oP16_51_j_3f_ae_i:Ag-Br-Hg-S, expected Ag2Hg2S2Br3 to be AgHgSBr" +mp-1229171,Ag6S2IBr,-3.13384903,-0.3043859866,0.066559878,0.066559878,GGA,Fmm2,A6BCD2_oF40_42_bcd_a_a_b:Ag-Br-I-S,10.0,A6BCD2_oF40_42_bcd_a_a_b:Ag-Br-I-S +mp-23652,Hg6S4IBr2Cl,-2.3742361586,-0.6031046352,0.0142094773,0.0142094773,GGA,Pnma,A2BC6DE4_oP56_62_2c_c_2c2d_c_2d:Br-Cl-Hg-I-S,56.0,"Invalid WP multiplicities - A2BC6DE4_oP56_62_7c_c_2c2d_c_3d:Br-Cl-Hg-I-S, expected Hg6S6IBr7Cl to be Hg6S4IBr2Cl" +mp-676430,Ag9(SI)4,-3.0435676724,-0.2240224431,0.1097087046,0.1097087046,GGA,Cm,A9B4C4_mC34_8_9a_4a_4a:Ag-I-S,17.0,A9B4C4_mC34_8_9a_4a_4a:Ag-I-S +mp-1224301,Hg6S4IBr3,-2.2348746596,-0.4848508741,0.1155950046,0.1155950046,GGA,Pbam,A3B6CD4_oP28_55_ag_g2h_c_2h:Br-Hg-I-S,28.0,A3B6CD4_oP28_55_ag_g2h_c_2h:Br-Hg-I-S +mp-685999,Ag4SI,-2.838574505,-0.0152344666,0.2638207047,0.2638207047,GGA,C2/m,A4BC_mC12_12_ei_c_b:Ag-I-S,6.0,"Invalid WP multiplicities - A4BC_mC12_12_2e2i_a_c:Ag-I-S, expected Ag8SI to be Ag4SI" +mp-2713505,Na5In3Sn(PO4)6,-6.8809301003000005,-2.5199661612,0.0248230532,0.0248230532,GGA,P1,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Sn,117.0,A3B5C24D6E_aP117_1_9a_15a_72a_18a_3a:In-Na-O-P-Sn +mp-2715376,Na3InSiSn(PO6)2,-6.8522921978,-2.5352412456,0.0581659288,0.0581659288,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:In-Na-O-P-Si-Sn,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:In-Na-O-P-Si-Sn, expected Na3InSiSn(PO15)2 to be Na3InSiSn(PO6)2" +mp-2715433,Na3InSiSn(PO6)2,-6.8550671094,-2.5380161572,0.0553910171,0.0553910171,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:In-Na-O-P-Si-Sn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:In-Na-O-P-Si-Sn, expected Na14In3Si3Sn3(P5O36)2 to be Na3InSiSn(PO6)2" +mp-2713574,Na2InSn(PO4)3,-6.9879095742,-2.5138844044,0.0266954016,0.0266954016,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:In-Na-O-P-Sn,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:In-Na-O-P-Sn, expected Na2InSn(PO4)18 to be Na2InSn(PO4)3" +mp-2714848,Na7In2Si3Sn2(PO8)3,-6.7967621657,-2.5524553632,0.0442772594,0.0442772594,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Sn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:In-Na-O-P-Si-Sn +mp-2715794,Na4InSi2SnPO12,-6.7298239437,-2.5547972836,0.042427394,0.042427394,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:In-Na-O-P-Si-Sn,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:In-Na-O-P-Si-Sn, expected Na19InSi12SnPO72 to be Na4InSi2SnPO12" +mp-2716003,Na5In2SiSn2P5O24,-6.9262135054,-2.5326879343,0.0357810402,0.0357810402,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-Si-Sn +mp-2716519,Na3InSn3(PO4)6,-7.1123032323,-2.5191054138,0.0170374481,0.0170374481,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Sn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:In-Na-O-P-Sn +mp-1195423,Ba4NaGa2B8(BrO6)3,-7.3827527181,-2.8774962442,0.0,-0.0171164349,GGA,P4_2nm,A8B4C3D2EF18_tP72_102_2cd_d_ab_c_a_3c3d:B-Ba-Br-Ga-Na-O,72.0,A8B4C3D2EF18_tP72_102_2cd_d_ab_c_a_3c3d:B-Ba-Br-Ga-Na-O +mp-766463,Na3GaB4O9,-7.2442496288,-2.6422827237,0.0,-0.0206508899,GGA,P2_1/m,A4BC3D9_mP34_11_2ef_e_ef_3e3f:B-Ga-Na-O,34.0,"Invalid WP multiplicities - A4BC3D9_mP34_11_4ef_e_e2f_6e5f:B-Ga-Na-O, expected Na5Ga(B3O8)2 to be Na3GaB4O9" +mp-759992,MnFeCo(PO4)3,-7.84127719,-2.2668035038,0.0246788517,0.0246788517,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-760077,MnFeCo(PO4)3,-7.8316233104,-2.2571496242,0.0343327312,0.0343327312,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-764383,MnFeCo(PO4)3,-7.8270281489,-2.2525544627,0.0389278928,0.0389278928,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-764415,MnFeCo(PO4)3,-7.8223859247,-2.2479122385,0.0435701169,0.0435701169,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-759677,MnFeCo(PO4)3,-7.8382199374,-2.2637462511,0.0277361043,0.0277361043,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-761176,MnFeCo(PO4)3,-7.8371382447,-2.2626645585,0.0288177969,0.0288177969,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176456,MnFeCo(PO4)3,-7.8349529635,-2.2604792772,0.0310030782,0.0310030782,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176466,MnFeCo(PO4)3,-7.8366698551,-2.2621961689,0.0292861865,0.0292861865,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176473,MnFeCo(PO4)3,-7.5293748007,-1.9549011145,0.336581241,0.336581241,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176474,MnFeCo(PO4)3,-7.8273556188,-2.2528819325,0.0386004229,0.0386004229,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176481,MnFeCo(PO4)3,-7.8361633619,-2.2616896757,0.0297926797,0.0297926797,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176487,MnFeCo(PO4)3,-7.8380241493,-2.2635504631,0.0279318924,0.0279318924,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176492,MnFeCo(PO4)3,-7.8420837914,-2.2676101052,0.0238722503,0.0238722503,GGA+U,Pm,ABCD12E3_mP72_6_a3b_4a_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_a3b_4a_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176500,MnFeCo(PO4)3,-7.8362519344,-2.2617782482,0.0297041072,0.0297041072,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-759618,MnFeCo(PO4)3,-7.8413214154,-2.2668477292,0.0246346262,0.0246346262,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176526,MnFeCo(PO4)3,-7.8405785833,-2.2661048971,0.0253774583,0.0253774583,GGA+U,Pm,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_2a2b_a3b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-1176578,MnFeCo(PO4)3,-7.819425914,-2.2449522278,0.0465301276,0.0465301276,GGA+U,Pm,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P,72.0,ABCD12E3_mP72_6_3ab_a3b_2a2b_12a12b12c_6a6b:Co-Fe-Mn-O-P +mp-764410,MnFeCo(PO4)3,-7.8381975785,-2.2637238922,0.0277584632,0.0277584632,GGA+U,Pmn2_1,ABCD12E3_oP72_31_2a_2a_2a_12a6b_6a:Co-Fe-Mn-O-P,72.0,"Invalid WP multiplicities - ABCD12E3_oP72_31_2a_2a_2a_24a22b_10a:Co-Fe-Mn-O-P, expected MnFeCoP5O34 to be MnFeCo(PO4)3" +mp-768595,Mn3Fe3(CoO8)2,-7.4438240454,-1.3496671922,0.1319535027,0.1319535027,GGA+U,Cm,A2B3C3D16_mC48_8_2a_ab_ab_8a4b:Co-Fe-Mn-O,24.0,"Invalid WP multiplicities - A2B3C3D16_mC48_8_2a_ab_ab_8a6b:Co-Fe-Mn-O, expected Mn3Fe3(CoO10)2 to be Mn3Fe3(CoO8)2" +mp-1221995,Mn3FeCo2P3,-7.9908656967,-0.611686786,0.0022770103,0.0022770103,GGA,Pm,A2BC3D3_mP36_6_2a6b_4a_6a6b_6a6b:Co-Fe-Mn-P,36.0,A2BC3D3_mP36_6_2a6b_4a_6a6b_6a6b:Co-Fe-Mn-P +mp-1221920,Mn2FeCoP2,-8.0514105833,-0.5965814829,0.0030963462,0.0030963462,GGA,Pmc2_1,ABC2D2_oP12_26_a_b_ab_ab:Co-Fe-Mn-P,12.0,ABC2D2_oP12_26_a_b_ab_ab:Co-Fe-Mn-P +mp-758013,MnFe3Co2(PO4)6,-7.7928892833,-2.2376376549,0.0358590536,0.0358590536,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Co-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_20b_2b:Co-Fe-Mn-O-P, expected MnFe3Co2(PO10)6 to be MnFe3Co2(PO4)6" +mp-764869,Li3MnFeCo(PO4)3,-7.5277804088,-2.4769568397,0.0310804165,0.0310804165,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764707,Li3MnFeCo(PO4)3,-7.5252360452,-2.4744124761,0.0336247801,0.0336247801,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764708,Li3MnFeCo(PO4)3,-7.545630068799999,-2.4948064997,0.0132307565,0.0132307565,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-761258,Li3MnFeCo(PO4)3,-7.5462282517,-2.4954046825,0.0126325737,0.0126325737,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764867,Li3MnFeCo(PO4)3,-7.529189238,-2.4783656688,0.0296715874,0.0296715874,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764870,Li3MnFeCo(PO4)3,-7.0941920981,-2.0433685289,0.4646687273,0.4646687273,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764912,Li3MnFeCo(PO4)3,-7.5396658854,-2.4888423162,0.01919494,0.01919494,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764931,Li3MnFeCo(PO4)3,-7.5455216605,-2.4946980913,0.0133391649,0.0133391649,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-764969,Li3MnFeCo(PO4)3,-7.5034299813,-2.4526064122,0.055430844,0.055430844,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177589,Li3MnFeCo(PO4)3,-7.5330244513,-2.4822008822,0.025836374,0.025836374,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177593,Li3MnFeCo(PO4)3,-7.545753818,-2.4949302488,0.0131070074,0.0131070074,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177594,Li3MnFeCo(PO4)3,-7.5457707444,-2.4949471753,0.013090081,0.013090081,GGA+U,Pm,ABC3DE12F3_mP84_6_a3b_4a_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_a3b_4a_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177596,Li3MnFeCo(PO4)3,-6.9825699477,-1.9317463786,0.5762908776,0.5762908776,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177597,Li3MnFeCo(PO4)3,-7.5448755556,-2.4940519864,0.0139852698,0.0139852698,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177607,Li3MnFeCo(PO4)3,-7.2853373725,-2.2345138034,0.2735234529,0.2735234529,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177623,Li3MnFeCo(PO4)3,-7.544234546,-2.4934109768,0.0146262794,0.0146262794,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_2a2b_6c_a3b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_2a2b_7c_a3b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-1177625,Li3MnFeCo(PO4)3,-7.5460981394,-2.4952745703,0.012762686,0.012762686,GGA+U,Pm,ABC3DE12F3_mP84_6_3ab_a3b_6c_2a2b_12a12b12c_6a6b:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_mP84_6_3ab_a3b_7c_2a2b_12a12b16c_6a6b:Co-Fe-Li-Mn-O-P, expected Li7Mn2Fe2Co2(P3O14)2 to be Li3MnFeCo(PO4)3" +mp-759846,Li3MnFeCo(PO4)3,-7.5174506657,-2.4666270966,0.0414101596,0.0414101596,GGA+U,Pmn2_1,ABC3DE12F3_oP84_31_2a_2a_3b_2a_12a6b_6a:Co-Fe-Li-Mn-O-P,84.0,"Invalid WP multiplicities - ABC3DE12F3_oP84_31_2a_2a_11b_2a_24a22b_10a:Co-Fe-Li-Mn-O-P, expected Li11MnFeCoP5O34 to be Li3MnFeCo(PO4)3" +mp-772328,Mn2Fe3Co3O16,-7.2807979712,-1.2722118471,0.1187799763,0.1187799763,GGA+U,Cm,A3B3C2D16_mC48_8_ab_ab_2a_8a4b:Co-Fe-Mn-O,24.0,"Invalid WP multiplicities - A3B3C2D16_mC48_8_ab_ab_2a_8a6b:Co-Fe-Mn-O, expected Mn2Fe3Co3O20 to be Mn2Fe3Co3O16" +mp-757452,Mn3Fe2Co(PO4)6,-7.8740140264,-2.2424931875,0.1068851547,0.1068851547,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Co-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_20b_2b:Co-Fe-Mn-O-P, expected Mn3Fe2Co(PO10)6 to be Mn3Fe2Co(PO4)6" +mp-774451,Li4Mn3Fe2Co3O16,-7.19355188,-1.7459178611,0.0711247953,0.0711247953,GGA+U,Cm,A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a4b:Co-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A3B2C4D3E16_mC56_8_ab_2a_4a_ab_8a6b:Co-Fe-Li-Mn-O, expected Li4Mn3Fe2Co3O20 to be Li4Mn3Fe2Co3O16" +mp-758090,Mn3FeCo2(PO4)6,-7.8236551414,-2.2299593973,0.079508605,0.079508605,GGA+U,R3,A2BC3D24E6_hR108_146_2a_a_3a_8b_2b:Co-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - A2BC3D24E6_hR108_146_2a_a_3a_20b_2b:Co-Fe-Mn-O-P, expected Mn3FeCo2(PO10)6 to be Mn3FeCo2(PO4)6" +mp-1176503,Mn3Fe2Co3O16,-7.3818093942,-1.3443901833,0.0945348729,0.0945348729,GGA+U,Cm,A3B2C3D16_mC48_8_ab_2a_ab_8a4b:Co-Fe-Mn-O,24.0,"Invalid WP multiplicities - A3B2C3D16_mC48_8_ab_2a_ab_8a6b:Co-Fe-Mn-O, expected Mn3Fe2Co3O20 to be Mn3Fe2Co3O16" +mp-777350,Li10Mn2Fe3Co3O16,-6.6411630229,-1.8383602098,0.085950026,0.085950026,GGA+U,P1,A3B3C10D2E16_aP34_1_3a_3a_10a_2a_16a:Co-Fe-Li-Mn-O,34.0,A3B3C10D2E16_aP34_1_3a_3a_10a_2a_16a:Co-Fe-Li-Mn-O +mp-758084,Mn2Fe3Co(PO4)6,-7.8892479122,-2.2769491311,0.0544435642,0.0544435642,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Co-Fe-Mn-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_20b_2b:Co-Fe-Mn-O-P, expected Mn2Fe3Co(PO10)6 to be Mn2Fe3Co(PO4)6" +mp-754076,Li4Mn3Fe3(CoO8)2,-7.2061642364,-1.7098979528,0.1362226725,0.1362226725,GGA+U,Cm,A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a4b:Co-Fe-Li-Mn-O,28.0,"Invalid WP multiplicities - A2B3C4D3E16_mC56_8_2a_ab_4a_ab_8a6b:Co-Fe-Li-Mn-O, expected Li4Mn3Fe3(CoO10)2 to be Li4Mn3Fe3(CoO8)2" +mp-761441,Li4Mn2Fe3Co3O16,-7.1135971593,-1.6906772148,0.079450674,0.079450674,GGA+U,P1,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Co-Fe-Li-Mn-O,28.0,A3B3C4D2E16_aP28_1_3a_3a_4a_2a_16a:Co-Fe-Li-Mn-O +mp-1096080,Y2GaCu,-2.8325717525,2.1824894773,2.6457557887,2.6457557887,GGA,Immm,ABC2_oI8_71_a_b_e:Cu-Ga-Y,4.0,ABC2_oI8_71_a_b_e:Cu-Ga-Y +mp-1215945,YGa3Cu,-4.396055404,-0.4660622338,0.00042538,0.00042538,GGA,I-4m2,AB3C_tI10_119_a_bf_c:Cu-Ga-Y,5.0,AB3C_tI10_119_a_bf_c:Cu-Ga-Y +mp-1218712,Sr6CaY2Ga3(Cu2O7)3,-6.5993325155,-2.4291916476,0.0188445551,0.0188445551,GGA,Cc,AB6C3D21E6F2_mC156_9_a_6a_3a_21a_6a_2a:Ca-Cu-Ga-O-Sr-Y,78.0,"Invalid WP multiplicities - AB6C3D21E6F2_mC156_9_a_11a_5a_41a_12a_4a:Ca-Cu-Ga-O-Sr-Y, expected Sr12CaY4Ga5Cu11O41 to be Sr6CaY2Ga3(Cu2O7)3" +mp-1218697,Sr6CaY2Ga3(Cu2O7)3,-6.5990841097,-2.4289432418,0.0190929609,0.0190929609,GGA,Ima2,AB6C3D21E6F2_oI156_46_a_3c_3b_3b9c_3c_2a:Ca-Cu-Ga-O-Sr-Y,78.0,"Invalid WP multiplicities - AB6C3D21E6F2_oI156_46_a_11c_6b_6b31c_10c_4a:Ca-Cu-Ga-O-Sr-Y, expected Sr20CaY4Ga6(Cu11O34)2 to be Sr6CaY2Ga3(Cu2O7)3" +mp-1173215,Sr4CaYGa2(Cu2O7)2,-6.1526717196,-2.0397215085,0.3755664746,0.3755664746,GGA,P1,AB4C2D14E4F_aP26_1_a_4a_2a_14a_4a_a:Ca-Cu-Ga-O-Sr-Y,26.0,AB4C2D14E4F_aP26_1_a_4a_2a_14a_4a_a:Ca-Cu-Ga-O-Sr-Y +mp-1218546,Sr4CaYGa2(Cu2O7)2,-6.5064389635,-2.3934887523,0.0217992308,0.0217992308,GGA,C2,AB4C2D14E4F_mC52_5_a_2c_c_7c_2c_b:Ca-Cu-Ga-O-Sr-Y,26.0,AB4C2D14E4F_mC52_5_a_2c_c_7c_2c_b:Ca-Cu-Ga-O-Sr-Y +mp-1216178,Y3(Ga2Cu)2,-4.9575439378,-0.5452982967000001,0.0252240641,0.0252240641,GGA,P3m1,A2B4C3_hP18_156_3ab_3a5b_6c:Cu-Ga-Y,18.0,A2B4C3_hP18_156_3ab_3a5b_6c:Cu-Ga-Y +mp-556575,Sr2YGaCu2O7,-6.7745148492,-2.4899926676,0.0202675243,0.0202675243,GGA,Ima2,A2BC7D2E_oI52_46_c_b_b3c_c_a:Cu-Ga-O-Sr-Y,26.0,"Invalid WP multiplicities - A2BC7D2E_oI52_46_c_b_2b7c_c_a:Cu-Ga-O-Sr-Y, expected Sr2YGa(CuO8)2 to be Sr2YGaCu2O7" +mp-1333973,Sr6YGa3(Cu2O7)3,-6.2279922282,-2.0614132321,0.114352179,0.114352179,GGA,Cc,A6B3C21D6E_mC148_9_6a_3a_21a_6a_a:Cu-Ga-O-Sr-Y,74.0,"Invalid WP multiplicities - A6B3C21D6E_mC148_9_12a_5a_40a_12a_a:Cu-Ga-O-Sr-Y, expected Sr12YGa5(Cu3O10)4 to be Sr6YGa3(Cu2O7)3" +mp-1209020,Sr2Ca2Ga(CuO3)3,-6.2036670941,-2.2486023235,0.0272888721,0.0272888721,GGA,Ima2,A2B3CD9E2_oI68_46_c_ac_b_b4c_c:Ca-Cu-Ga-O-Sr,34.0,A2B3CD9E2_oI68_46_c_ac_b_b4c_c:Ca-Cu-Ga-O-Sr +mp-1095918,YGaCu2,-2.5771555,1.846089619,2.2458164725,2.2458164725,GGA,Immm,A2BC_oI8_71_e_a_b:Cu-Ga-Y,4.0,A2BC_oI8_71_e_a_b:Cu-Ga-Y +mp-1216128,Y3Ga7Cu4,-4.5522324657,-0.4813101673,0.0,-0.0266323264,GGA,C2/m,A4B7C3_mC28_12_2i_a3i_ci:Cu-Ga-Y,14.0,A4B7C3_mC28_12_2i_a3i_ci:Cu-Ga-Y +mp-1216081,Y2Ga3Cu,-4.961944775,-0.609205281,0.0,-0.0342898475,GGA,P3m1,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Y,6.0,AB3C2_hP6_156_a_a2b_2c:Cu-Ga-Y +mp-1207797,Y3Ga9Cu2,-4.4119530093,-0.4940465177,0.0,-0.0075034343,GGA,Immm,A2B9C3_oI28_71_f_b2n_ag:Cu-Ga-Y,14.0,A2B9C3_oI28_71_f_b2n_ag:Cu-Ga-Y +mp-2715472,Na3ZrScSi(PO6)2,-7.8118079558,-3.0888112961,0.023958575,0.023958575,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Sc-Si-Zr,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Sc-Si-Zr, expected Na3ZrScSi(PO15)2 to be Na3ZrScSi(PO6)2" +mp-2715355,Na3ZrScSi(PO6)2,-7.8088778395,-3.0858811798,0.0268886913,0.0268886913,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Sc-Si-Zr,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Sc-Si-Zr, expected Na14Zr3Sc3Si3(P5O36)2 to be Na3ZrScSi(PO6)2" +mp-2713317,Na2ZrSc(PO4)3,-8.005249626,-3.1039131851,0.0163596182,0.0163596182,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Sc-Zr,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Sc-Zr, expected Na2ZrSc(PO4)18 to be Na2ZrSc(PO4)3" +mp-693746,Na17Zr7Sc5Si6(PO6)12,-7.865982115,-3.0957946748,0.0252237414,0.0252237414,GGA,P1,A17B72C12D5E6F7_aP119_1_17a_72a_12a_5a_6a_7a:Na-O-P-Sc-Si-Zr,119.0,A17B72C12D5E6F7_aP119_1_17a_72a_12a_5a_6a_7a:Na-O-P-Sc-Si-Zr +mp-2713446,Na5ZrSc3(PO4)6,-7.8334398978,-3.0806686536,0.0169576671,0.0169576671,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Zr,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Zr +mp-2714899,Na7Zr2Sc2Si3(PO8)3,-7.7196238391,-3.0792724439,0.0220375055,0.0220375055,GGA,P1,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Zr,123.0,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Zr +mp-2715799,Na4ZrScSi2PO12,-7.6251312162,-3.0634895966,0.0249594612,0.0249594612,GGA,Cc,A4B12CDE2F_mC84_9_4a_12a_a_a_2a_a:Na-O-P-Sc-Si-Zr,126.0,"Invalid WP multiplicities - A4B12CDE2F_mC84_9_19a_72a_a_a_12a_a:Na-O-P-Sc-Si-Zr, expected Na19ZrScSi12PO72 to be Na4ZrScSi2PO12" +mp-2714895,Na3Zr3Sc(PO4)6,-8.1879718248,-3.130039636,0.0141037841,0.0141037841,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Zr,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Zr +mp-693682,Na25Zr11Sc5Si12(PO8)12,-7.8411120096,-3.0976601617,0.026106517,0.026106517,GGA,P1,A25B96C12D5E12F11_aP161_1_25a_96a_12a_5a_12a_11a:Na-O-P-Sc-Si-Zr,161.0,A25B96C12D5E12F11_aP161_1_25a_96a_12a_5a_12a_11a:Na-O-P-Sc-Si-Zr +mp-2716040,Na5Zr2Sc2SiP5O24,-7.9049324115,-3.0950522687,0.0219157846,0.0219157846,GGA,P1,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Zr,117.0,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Zr +mp-2713307,Na2HfGa(PO4)3,-7.6752607122,-2.8736550441,0.0297471491,0.0297471491,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Ga-Hf-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Ga-Hf-Na-O-P, expected Na2HfGa(PO4)18 to be Na2HfGa(PO4)3" +mp-2716566,Na3Hf3Ga(PO4)6,-8.1377549248,-3.0548472733,0.0182864433,0.0182864433,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Hf-Na-O-P,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Hf-Na-O-P +mp-2716258,Na4HfGaSi2PO12,-7.3421069475,-2.8706979318,0.044844164,0.044844164,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Ga-Hf-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Ga-Hf-Na-O-P-Si, expected Na19HfGaSi12PO72 to be Na4HfGaSi2PO12" +mp-2714684,Na7Hf2Ga2Si3(PO8)3,-7.4260826701,-2.878164674,0.0402414614,0.0402414614,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ga-Hf-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ga-Hf-Na-O-P-Si +mp-2716333,Na5HfGa3(PO4)6,-7.2466861397,-2.7119567122,0.0304181382,0.0304181382,GGA,P1,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Ga-Hf-Na-O-P,117.0,A3BC5D24E6_aP117_1_9a_3a_15a_72a_18a:Ga-Hf-Na-O-P +mp-2715402,Na3HfGaSi(PO6)2,-7.4987581659,-2.8705057404,0.0495209948,0.0495209948,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ga-Hf-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Ga-Hf-Na-O-P-Si, expected Na14Hf3Ga3Si3(P5O36)2 to be Na3HfGaSi(PO6)2" +mp-2715342,Na3HfGaSi(PO6)2,-7.4979066551,-2.8696542296,0.0503725056,0.0503725056,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ga-Hf-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Ga-Hf-Na-O-P-Si, expected Na3HfGaSi(PO15)2 to be Na3HfGaSi(PO6)2" +mp-2716053,Na5Hf2Ga2SiP5O24,-7.5846324537,-2.8719258843,0.0452089768,0.0452089768,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-Hf-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-Hf-Na-O-P-Si +mp-2714249,Na7MgGa3Si3(SO8)3,-6.4605730985,-2.3789126612,0.1287548483,0.1287548483,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Ga-Mg-Na-O-S-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Ga-Mg-Na-O-S-Si +mp-1034608,NaMg14GaO16,-6.2235524516,-2.9141286579,0.035921432,0.035921432,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Ga-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Ga-Mg-Na-O, expected NaMg18GaO20 to be NaMg14GaO16" +mp-1034314,NaMg14GaO16,-6.2120927253,-2.9026689317,0.0473811582,0.0473811582,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Ga-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Ga-Mg-Na-O, expected NaMg30GaO32 to be NaMg14GaO16" +mp-2714722,NaMgGa3(SO4)6,-6.4928858433,-2.0487052238,0.010662075,0.010662075,GGA,P3,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Ga-Mg-Na-O-S,105.0,A3BCD24E6_hP105_143_2a3b4c_2ab_a2b_24d_6d:Ga-Mg-Na-O-S +mp-2713346,Na4Mg2Ga2SiS5O24,-6.4543774022,-2.2602997771,0.0719487701,0.0719487701,GGA,P1,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ga-Mg-Na-O-S-Si,114.0,A2B2C4D24E5F_aP114_1_6a_6a_12a_72a_15a_3a:Ga-Mg-Na-O-S-Si +mp-2714113,NaMgGa(SO4)3,-6.4833924434,-2.1655860267,0.0,-0.0024889248,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:Ga-Mg-Na-O-S,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:Ga-Mg-Na-O-S, expected NaMgGa(SO12)3 to be NaMgGa(SO4)3" +mp-2715079,Na3Mg3Ga(SO4)6,-6.4475656092,-2.2493023572,0.0069341128,0.0069341128,GGA,P1,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Mg-Na-O-S,111.0,AB3C3D24E6_aP111_1_3a_9a_9a_72a_18a:Ga-Mg-Na-O-S +mp-1030655,NaMg6GaO8,-6.0993078881,-2.7539446815,0.0921151989,0.0921151989,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Ga-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Ga-Mg-Na-O, expected NaMg6GaO12 to be NaMg6GaO8" +mp-1030658,NaMg6GaO8,-6.0833025587,-2.7379393521,0.1081205283,0.1081205283,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Ga-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Ga-Mg-Na-O, expected NaMg6GaO12 to be NaMg6GaO8" +mp-1017362,Mg6GaSi,-2.2272204881,0.0296663059,0.1392708257,0.1392708257,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Ga-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Ga-Mg-Si, expected Mg12GaSi to be Mg6GaSi" +mp-1017370,Mg6GaSi,-2.2241479525,0.0327388416,0.1423433613,0.1423433613,GGA,Amm2,AB6C_oC16_38_a_abde_b:Ga-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Ga-Mg-Si, expected Mg12GaSi to be Mg6GaSi" +mp-2715104,Na8Mg2Ga2Si3(SO8)3,-6.4061583687,-2.4241872437,0.1232999123,0.1232999123,GGA,P1,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ga-Mg-Na-O-S-Si,126.0,A2B2C8D24E3F3_aP126_1_6a_6a_24a_72a_9a_9a:Ga-Mg-Na-O-S-Si +mp-2714804,Na10Mg4Ga4Si3(S3O16)3,-6.4340104748,-2.2970384459,0.1121312646,0.1121312646,GGA,P1,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ga-Mg-Na-O-S-Si,234.0,A4B4C10D48E9F3_aP234_1_12a_12a_30a_144a_27a_9a:Ga-Mg-Na-O-S-Si +mp-2716068,Na14Mg4Ga4Si5S7O48,-6.4226585601,-2.391540807,0.1166457965,0.1166457965,GGA,P1,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ga-Mg-Na-O-S-Si,246.0,A4B4C14D48E7F5_aP246_1_12a_12a_42a_144a_21a_15a:Ga-Mg-Na-O-S-Si +mp-2713684,Na6Mg4Ga4SiS11O48,-6.4700490894,-2.2157790792,0.035390404,0.035390404,GGA,P1,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ga-Mg-Na-O-S-Si,222.0,A4B4C6D48E11F_aP222_1_12a_12a_18a_144a_33a_3a:Ga-Mg-Na-O-S-Si +mp-2712641,Na3MgGaSi(SO6)2,-6.4297647269,-2.3470430143,0.1186860222,0.1186860222,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Ga-Mg-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_12a_60a_9a_3a:Ga-Mg-Na-O-S-Si, expected Na4MgGaSiS3O20 to be Na3MgGaSi(SO6)2" +mp-1026683,Mg14GaSi,-1.904119115,0.024464307,0.0926068679,0.0926068679,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Ga-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Ga-Mg-Si, expected Mg18GaSi to be Mg14GaSi" +mp-1026677,Mg14GaSi,-1.9294542262,-0.0008708042,0.0672717567,0.0672717567,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Ga-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Ga-Mg-Si, expected Mg26GaSi to be Mg14GaSi" +mp-1039783,NaMg30GaO32,-6.2797192517,-2.9882651646,0.01378003,0.01378003,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Ga-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Ga-Mg-Na-O, expected NaMg90GaO80 to be NaMg30GaO32" +mp-1039695,NaMg30GaO32,-6.2754277464,-2.9839736593,0.0180715354,0.0180715354,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Ga-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Ga-Mg-Na-O, expected NaMg110GaO72 to be NaMg30GaO32" +mp-2712667,Na2TiSi2GeSO12,-7.3180695458,-2.6069684447,0.1209261093,0.1209261093,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Ti,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Ge-Na-O-S-Si-Ti +mp-2713937,Na6Ti2Si5Ge2SO24,-7.2849747553,-2.7110807406,0.0838512269,0.0838512269,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Ti,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Ge-Na-O-S-Si-Ti +mp-1105715,TiGeS3,-6.167187987,-1.1816140925,0.0,-0.016062254,GGA,Pnma,AB3C_oP20_62_c_3c_c:Ge-S-Ti,20.0,AB3C_oP20_62_c_3c_c:Ge-S-Ti +mp-2713088,Na6Ti4Si7Ge4S5O48,-7.3315372991,-2.5462702055,0.1107673574,0.1107673574,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Ti,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Ge-Na-O-S-Si-Ti +mp-2714221,Na10Ti4Si9Ge4(SO16)3,-7.2952106799,-2.6544721872,0.1136452796,0.1136452796,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Ti,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Ge-Na-O-S-Si-Ti +mp-2716158,Na2Ti4Si5Ge4S7O48,-7.3577964964,-2.4114832474,0.0821357493,0.0821357493,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Ti,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Ge-Na-O-S-Si-Ti +mp-2713169,TiSiGe(SO6)2,-7.367908294,-2.3339669899,0.0434471668,0.0434471668,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Ti,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-S-Si-Ti +mp-2714388,Na14Ti4Si11Ge4SO48,-7.2654519845,-2.7551417414,0.0619662077,0.0619662077,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Ti,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Ge-Na-O-S-Si-Ti +mp-2713413,Na2Ti2Si3Ge2(SO8)3,-7.3568105855,-2.4932571663,0.088986906,0.088986906,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Ti,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Ge-Na-O-S-Si-Ti +mp-1227606,BaSrYTlCu2O7,-6.4780586777,-2.2270727568,0.0142762105,0.0142762105,GGA,Pm,AB2C7DEF_mP13_6_a_2b_3a4b_a_b_a:Ba-Cu-O-Sr-Tl-Y,13.0,AB2C7DEF_mP13_6_a_2b_3a4b_a_b_a:Ba-Cu-O-Sr-Tl-Y +mp-6841,Ba4NaCu(CO5)2,-6.9629850289,-2.4617711499,0.0,-0.0418712097,GGA,I-42m,A4B2CDE10_tI36_121_h_e_a_b_e2i:Ba-C-Cu-Na-O,18.0,"Invalid WP multiplicities - A4B2CDE10_tI36_121_h_e_a_b_e3i:Ba-C-Cu-Na-O, expected Ba4NaCu(CO7)2 to be Ba4NaCu(CO5)2" +mp-2232061,Ba4NaMgCu(CO5)2,-6.6245298563,-2.2759967052,0.2473665711,0.2473665711,GGA,I-4,A4B2CDEF10_tI38_82_2f_e_a_c_b_e2g:Ba-C-Cu-Mg-Na-O,19.0,"Invalid WP multiplicities - A4B2CDEF10_tI38_82_2f_e_a_c_b_e3g:Ba-C-Cu-Mg-Na-O, expected Ba4NaMgCu(CO7)2 to be Ba4NaMgCu(CO5)2" +mp-2229607,Sr4MgV2Fe2(AsO3)2,-6.6903422729,-1.8394906552,0.3227884728,0.3227884728,GGA+U,Pmm2,A2B2CD6E4F2_oP17_25_ad_bc_a_a2b2cd_2a2d_ad:As-Fe-Mg-O-Sr-V,17.0,A2B2CD6E4F2_oP17_25_ad_bc_a_a2b2cd_2a2d_ad:As-Fe-Mg-O-Sr-V +mp-2229142,Sr4MgV2Fe2(AsO3)2,-6.6206314259,-1.7697798082,0.3924993199,0.3924993199,GGA+U,Pmm2,A2B2CD6E4F2_oP17_25_bc_ad_a_2abc2d_2b2c_bc:As-Fe-Mg-O-Sr-V,17.0,A2B2CD6E4F2_oP17_25_bc_ad_a_2abc2d_2b2c_bc:As-Fe-Mg-O-Sr-V +mp-2232641,Sr4MgV2Fe2(AsO3)2,-6.6639257082,-1.8130740905,0.3492050375,0.3492050375,GGA+U,P4mm,A2B2CD6E4F2_tP17_99_ab_c_a_ab2c_2a2b_ab:As-Fe-Mg-O-Sr-V,17.0,A2B2CD6E4F2_tP17_99_ab_c_a_ab2c_2a2b_ab:As-Fe-Mg-O-Sr-V +mp-2241238,Sr4MgV2Fe2(AsO3)2,-6.5839671147,-1.733115497,0.429163631,0.429163631,GGA+U,P-4m2,A2B2CD6E4F2_tP17_115_g_ab_c_efg_2g_g:As-Fe-Mg-O-Sr-V,17.0,"Invalid WP multiplicities - A2B2CD6E4F2_tP17_115_g_ab_c_e2fg_2g_g:As-Fe-Mg-O-Sr-V, expected Sr4MgV2Fe2(AsO4)2 to be Sr4MgV2Fe2(AsO3)2" +mp-1217810,SrV2(AsO5)2,-7.5283759597,-2.2855473253,0.0472456613,0.0472456613,GGA+U,Cc,A2B10CD2_mC120_9_4a_20a_2a_4a:As-O-Sr-V,60.0,"Invalid WP multiplicities - A2B10CD2_mC120_9_8a_40a_2a_8a:As-O-Sr-V, expected SrV4(AsO5)4 to be SrV2(AsO5)2" +mp-19513,SrV2(AsO5)2,-7.5732258283,-2.3303971939,0.0023957927,0.0023957927,GGA+U,P2_12_12_1,A2B10CD2_oP60_19_2a_10a_a_2a:As-O-Sr-V,60.0,"Invalid WP multiplicities - A2B10CD2_oP60_19_2a_13a_a_2a:As-O-Sr-V, expected SrV2As2O13 to be SrV2(AsO5)2" +mp-1218545,Sr2VAs2O9,-7.2488773789,-2.5130682226000003,0.001020002,0.001020002,GGA+U,Cc,A2B9C2D_mC56_9_2a_9a_2a_a:As-O-Sr-V,28.0,"Invalid WP multiplicities - A2B9C2D_mC56_9_2a_13a_2a_a:As-O-Sr-V, expected Sr2VAs2O13 to be Sr2VAs2O9" +mp-1106248,Sr2VFeAsO3,-7.0859209444,-2.0319086037,0.1360106594,0.1360106594,GGA+U,P4/nmm,ABC3D2E_tP16_129_c_a_cf_2c_c:As-Fe-O-Sr-V,16.0,ABC3D2E_tP16_129_c_a_cf_2c_c:As-Fe-O-Sr-V +mp-1210399,Na2Ti2Si2H2O9,-7.2315419353,-2.4908171605,0.3007827816,0.3007827816,GGA,P1,A2B2C9D2E2_aP34_1_4a_4a_18a_4a_4a:H-Na-O-Si-Ti,34.0,A2B2C9D2E2_aP34_1_4a_4a_18a_4a_4a:H-Na-O-Si-Ti +mp-1211212,Na2Ti2Si2H2O9,-7.3001339654,-2.5594091906000003,0.2321907515,0.2321907515,GGA,P1,A2B2C9D2E2_aP68_1_8a_8a_36a_8a_8a:H-Na-O-Si-Ti,68.0,A2B2C9D2E2_aP68_1_8a_8a_36a_8a_8a:H-Na-O-Si-Ti +mp-1205129,Na3LiTi2Si4(HO4)4,-7.2592639875,-2.7230413722,0.0038191735,0.0038191735,GGA,C2/c,A4BC3D16E4F2_mC120_15_2f_e_ef_8f_2f_f:H-Li-Na-O-Si-Ti,60.0,A4BC3D16E4F2_mC120_15_2f_e_ef_8f_2f_f:H-Li-Na-O-Si-Ti +mp-1191567,Na2TiH4O5,-5.9358093521,-1.8654018238,0.1624825675,0.1624825675,GGA,P-1,A4B2C5D_aP24_2_4i_2i_ag4i_bc:H-Na-O-Ti,24.0,A4B2C5D_aP24_2_4i_2i_ag4i_bc:H-Na-O-Ti +mp-1102810,Na2TiH4O5,-5.8733309517,-1.8029234233,0.2249609679,0.2249609679,GGA,Immm,A4B2C5D_oI24_71_m_e_c2f_a:H-Na-O-Ti,12.0,A4B2C5D_oI24_71_m_e_c2f_a:H-Na-O-Ti +mp-1079509,NaTi2HO5,-7.8145332322,-2.7879022402,0.1222252618,0.1222252618,GGA,P1,ABC5D2_aP9_1_a_a_5a_2a:H-Na-O-Ti,9.0,ABC5D2_aP9_1_a_a_5a_2a:H-Na-O-Ti +mp-1192726,NaLiSi2H4O7,-6.4301552273,-2.2781679354,0.0109940039,0.0109940039,GGA,C2/c,A4BCD7E2_mC60_15_2f_e_e_c3f_f:H-Li-Na-O-Si,30.0,A4BCD7E2_mC60_15_2f_e_e_c3f_f:H-Li-Na-O-Si +mp-733509,Na2TiSi4H4O13,-7.2553096427,-2.6669899698,0.0042859965,0.0042859965,GGA,P2_1/c,A4B2C13D4E_mP48_14_2e_e_a6e_2e_d:H-Na-O-Si-Ti,48.0,A4B2C13D4E_mP48_14_2e_e_a6e_2e_b:H-Na-O-Si-Ti +mp-1200866,Na2TiSi4H4O13,-7.2563902085,-2.6680705356,0.0032054306,0.0032054306,GGA,P42_12,A4B2C13D4E_tP48_90_g_d_cef2g_g_c:H-Na-O-Si-Ti,48.0,A4B2C13D4E_tP48_90_g_d_cef2g_g_c:H-Na-O-Si-Ti +mp-1180541,NaTi2SiH4O9,-6.9188324253,-2.1758953701,0.2904800641,0.2904800641,GGA,P4_2/mcm,A4BC9DE2_tP68_132_2o_f_gijop_e_o:H-Na-O-Si-Ti,68.0,A4BC9DE2_tP68_132_2o_f_gijop_e_o:H-Na-O-Si-Ti +mp-1205145,Na2TiSi4H2O13,-7.3209924977,-2.623982495,0.1153111927,0.1153111927,GGA,Pbcn,A2B2C13D4E_oP88_60_d_d_c6d_2d_a:H-Na-O-Si-Ti,88.0,A2B2C13D4E_oP88_60_d_d_c6d_2d_a:H-Na-O-Si-Ti +mp-2716332,Na5HfAl3Si3(SO8)3,-7.1861134026,-2.6934883834,0.1228071138,0.1228071138,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Al-Hf-Na-O-S-Si,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Al-Hf-Na-O-S-Si +mp-2715719,Na8Hf2Al2Si5SO24,-7.4165045447,-2.9410449934000003,0.0734232769,0.0734232769,GGA,P1,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Al-Hf-Na-O-S-Si,126.0,A2B2C8D24EF5_aP126_1_6a_6a_24a_72a_3a_15a:Al-Hf-Na-O-S-Si +mp-2715970,Na10Hf4Al4Si7S5O48,-7.4865840897,-2.8181629864,0.117353053,0.117353053,GGA,P1,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Al-Hf-Na-O-S-Si,234.0,A4B4C10D48E5F7_aP234_1_12a_12a_30a_144a_15a_21a:Al-Hf-Na-O-S-Si +mp-2713572,Na4Hf2Al2Si3(SO8)3,-7.5214346189,-2.7819224174,0.0974250348,0.0974250348,GGA,P1,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Al-Hf-Na-O-S-Si,114.0,A2B2C4D24E3F3_aP114_1_6a_6a_12a_72a_9a_9a:Al-Hf-Na-O-S-Si +mp-2714644,Na3Hf3AlSi3(SO8)3,-7.8762768963,-2.8765322595,0.0692753615,0.0692753615,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Hf-Na-O-S-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:Al-Hf-Na-O-S-Si +mp-2714038,NaHfAlSi(SO6)2,-7.5902793293,-2.6967364152,0.0609124313,0.0609124313,GGA,Cc,ABCD12E2F_mC216_9_3a_3a_3a_36a_6a_3a:Al-Hf-Na-O-S-Si,108.0,"Invalid WP multiplicities - ABCD12E2F_mC216_9_3a_3a_3a_60a_9a_3a:Al-Hf-Na-O-S-Si, expected NaHfAlSiS3O20 to be NaHfAlSi(SO6)2" +mp-2714919,Na14Hf4Al4Si9(SO16)3,-7.4399826191,-2.9033401367,0.0919738545,0.0919738545,GGA,P1,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Al-Hf-Na-O-S-Si,246.0,A4B4C14D48E3F9_aP246_1_12a_12a_42a_144a_9a_27a:Al-Hf-Na-O-S-Si +mp-2716016,Na6Hf4Al4Si5S7O48,-7.5494880864,-2.7350420248,0.0851007003,0.0851007003,GGA,P1,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Al-Hf-Na-O-S-Si,222.0,A4B4C6D48E7F5_aP222_1_12a_12a_18a_144a_21a_15a:Al-Hf-Na-O-S-Si +mp-2716437,Na2Hf4Al4Si3(S3O16)3,-7.6060696815,-2.628910095,0.0515926004,0.0515926004,GGA,P1,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Al-Hf-Na-O-S-Si,210.0,A4B4C2D48E9F3_aP210_1_12a_12a_6a_144a_27a_9a:Al-Hf-Na-O-S-Si +mp-2712951,Hf2Al2SiS5O24,-7.6347696024,-2.5690747155,0.0297438198,0.0297438198,GGA,P1,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Al-Hf-O-S-Si,102.0,A2B2C24D5E_aP102_1_6a_6a_72a_15a_3a:Al-Hf-O-S-Si +mp-2714534,Na3HfAlSi2SO12,-7.4616454632,-2.8607609031,0.1144410951,0.1144410951,GGA,Cc,ABC3D12EF2_mC80_9_a_a_3a_12a_a_2a:Al-Hf-Na-O-S-Si,120.0,"Invalid WP multiplicities - ABC3D12EF2_mC80_9_a_a_13a_72a_a_7a:Al-Hf-Na-O-S-Si, expected Na13HfAlSi7SO72 to be Na3HfAlSi2SO12" +mp-2713063,Na3Hf2Zr2SiP5O24,-8.3917680246,-3.1974514075,0.0074355299,0.0074355299,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-Si-Zr +mp-2714508,Na7Hf2Zr2Si5PO24,-7.9786502816,-3.1608971572,0.0085014224,0.0085014224,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Zr,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Hf-Na-O-P-Si-Zr +mp-2712783,Na2HfZrSi(PO6)2,-8.2756052822,-3.1828617124,0.0152924308,0.0152924308,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Zr,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Hf-Na-O-P-Si-Zr +mp-2715468,Na3HfZrSi2PO12,-8.0800528656,-3.1752194335,0.0057061099,0.0057061099,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Zr,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Hf-Na-O-P-Si-Zr +mp-2715300,Na3HfZrSi2PO12,-8.0779037298,-3.1730702977,0.0078552457,0.0078552457,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Zr,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Hf-Na-O-P-Si-Zr +mp-2714218,Na5Hf2Zr2Si3(PO8)3,-8.1672957373,-3.1709163407,0.0184026232,0.0184026232,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Zr,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Hf-Na-O-P-Si-Zr +mp-2713401,NaHfZr(PO4)3,-8.508150026500001,-3.2066174149,0.0042000609,0.0042000609,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Zr,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Hf-Na-O-P-Zr +mp-1046151,SrMgSn(PO4)2,-7.2626344485,-2.8242144437,0.0774156456,0.0774156456,GGA,P-1,AB8C2DE_aP26_2_i_8i_2i_i_i:Mg-O-P-Sn-Sr,26.0,"Invalid WP multiplicities - AB8C2DE_aP26_2_i_14i_2i_i_i:Mg-O-P-Sn-Sr, expected SrMgSn(PO7)2 to be SrMgSn(PO4)2" +mp-1233876,MgZn4(SnO2)4,-5.2765702788,-1.6147437141,0.1630441665,0.1630441665,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn +mp-1233892,MgZn4(SnO2)4,-5.1643781229,-1.5025515582,0.2752363224,0.2752363224,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn +mp-1234474,MgZn4(SnO2)4,-5.2973065818,-1.6354800171,0.1423078635,0.1423078635,GGA,P1,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn,17.0,AB8C4D4_aP17_1_a_8a_4a_4a:Mg-O-Sn-Zn +mp-1035213,Mg14ZnSnO16,-6.1114891094,-2.7733561236,0.1127962514,0.1127962514,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sn-Zn,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sn-Zn, expected Mg18ZnSnO20 to be Mg14ZnSnO16" +mp-1035217,Mg14ZnSnO16,-6.1095411281,-2.7714081423,0.1147442327,0.1147442327,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sn-Zn,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sn-Zn, expected Mg30ZnSnO32 to be Mg14ZnSnO16" +mp-1037359,Mg30ZnSnO32,-6.2228249009,-2.9170162177,0.0530801195,0.0530801195,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sn-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sn-Zn, expected Mg90ZnSnO80 to be Mg30ZnSnO32" +mp-1037374,Mg30ZnSnO32,-6.2218686252,-2.916059942,0.0540363952,0.0540363952,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sn-Zn,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sn-Zn, expected Mg110ZnSnO72 to be Mg30ZnSnO32" +mp-1032036,Mg6ZnSnO8,-5.9013597681,-2.4985781772,0.2196862734,0.2196862734,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sn-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sn-Zn, expected Mg6ZnSnO12 to be Mg6ZnSnO8" +mp-1032044,Mg6ZnSnO8,-5.8984651037,-2.4956835128,0.2225809378,0.2225809378,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sn-Zn,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sn-Zn, expected Mg6ZnSnO12 to be Mg6ZnSnO8" +mp-1233121,Sr2MgZn2Sn2(PO4)4,-6.8759965785,-2.5679177899,0.1430890939,0.1430890939,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1233344,Sr2MgZn2Sn2(PO4)4,-6.9302019459,-2.6221231573,0.0888837265,0.0888837265,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1233619,Sr2MgZn2Sn2(PO4)4,-6.8461338419,-2.5380550532,0.1729518306,0.1729518306,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1233636,Sr2MgZn2Sn2(PO4)4,-6.8762321344,-2.5681533458,0.142853538,0.142853538,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1233908,Sr2MgZn2Sn2(PO4)4,-6.8846624493,-2.5765836606,0.1344232232,0.1344232232,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1234180,Sr2MgZn2Sn2(PO4)4,-6.8645931548,-2.5565143662,0.1544925176,0.1544925176,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1234187,Sr2MgZn2Sn2(PO4)4,-6.8826033452,-2.5745245565,0.1364823272,0.1364823272,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1234671,Sr2MgZn2Sn2(PO4)4,-6.8825638344,-2.5744850458,0.136521838,0.136521838,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1235002,Sr2MgZn2Sn2(PO4)4,-6.900581843,-2.5925030543,0.1185038295,0.1185038295,GGA,P1,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn,27.0,AB16C4D2E2F2_aP27_1_a_16a_4a_2a_2a_2a:Mg-O-P-Sn-Sr-Zn +mp-1233286,Sr2MgZn2Sn2(PO4)4,-6.8707405174,-2.5626617288,0.148345155,0.148345155,GGA,P-1,AB16C4D2E2F2_aP27_2_a_8i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn,27.0,"Invalid WP multiplicities - AB16C4D2E2F2_aP27_2_a_14i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn, expected Sr2MgZn2Sn2(PO7)4 to be Sr2MgZn2Sn2(PO4)4" +mp-1234834,Sr2MgZn2Sn2(PO4)4,-6.8585376752,-2.5504588865,0.1605479972,0.1605479972,GGA,P-1,AB16C4D2E2F2_aP27_2_a_8i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn,27.0,"Invalid WP multiplicities - AB16C4D2E2F2_aP27_2_a_14i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn, expected Sr2MgZn2Sn2(PO7)4 to be Sr2MgZn2Sn2(PO4)4" +mp-1234960,Sr2MgZn2Sn2(PO4)4,-6.8801632144,-2.5720844258,0.138922458,0.138922458,GGA,P-1,AB16C4D2E2F2_aP27_2_a_8i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn,27.0,"Invalid WP multiplicities - AB16C4D2E2F2_aP27_2_a_14i_2i_i_i_i:Mg-O-P-Sn-Sr-Zn, expected Sr2MgZn2Sn2(PO7)4 to be Sr2MgZn2Sn2(PO4)4" +mp-2714066,Na5La2Nb2Si3(PO8)3,-7.7593037943,-2.9407488856,0.1447636627,0.1447636627,GGA,P1,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:La-Na-Nb-O-P-Si,117.0,A2B5C2D24E3F3_aP117_1_6a_15a_6a_72a_9a_9a:La-Na-Nb-O-P-Si +mp-2715072,Na7La3NbSi3(PO8)3,-7.5140734613,-2.9920394591,0.088542113,0.088542113,GGA,P1,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:La-Na-Nb-O-P-Si,123.0,A3B7CD24E3F3_aP123_1_9a_21a_3a_72a_9a_9a:La-Na-Nb-O-P-Si +mp-2715701,Na2LaNb3Si2(PO6)4,-8.2387599235,-2.9857224799,0.0528040572,0.0528040572,GGA,P1,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:La-Na-Nb-O-P-Si,108.0,AB2C3D24E4F2_aP108_1_3a_6a_9a_72a_12a_6a:La-Na-Nb-O-P-Si +mp-2712710,Na2LaNbSi(PO6)2,-7.8538311022,-2.9435916122,0.1365456128,0.1365456128,GGA,Cc,AB2CD12E2F_mC228_9_3a_6a_3a_36a_6a_3a:La-Na-Nb-O-P-Si,114.0,"Invalid WP multiplicities - AB2CD12E2F_mC228_9_3a_6a_3a_72a_10a_3a:La-Na-Nb-O-P-Si, expected Na6La3Nb3Si3(P5O36)2 to be Na2LaNbSi(PO6)2" +mp-2715923,Na5La3NbSiP5O24,-7.6959627856,-3.0104675944,0.093368978,0.093368978,GGA,P1,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:La-Na-Nb-O-P-Si,117.0,A3B5CD24E5F_aP117_1_9a_15a_3a_72a_15a_3a:La-Na-Nb-O-P-Si +mp-2716445,Na5LaNb3Si5PO24,-7.9326523174,-2.9810376912,0.0772597961,0.0772597961,GGA,P1,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:La-Na-Nb-O-P-Si,117.0,AB5C3D24EF5_aP117_1_3a_15a_9a_72a_3a_15a:La-Na-Nb-O-P-Si +mp-2714814,Na6La5Nb3(PO4)12,-7.922956024,-2.9862020966,0.0837137261,0.0837137261,GGA,P1,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:La-Na-Nb-O-P,222.0,A5B6C3D48E12_aP222_1_15a_18a_9a_144a_36a:La-Na-Nb-O-P +mp-2713149,Na10La7Nb(PO4)12,-7.6683063205,-3.0493409881,0.062796679,0.062796679,GGA,P1,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:La-Na-Nb-O-P,234.0,A7B10CD48E12_aP234_1_21a_30a_3a_144a_36a:La-Na-Nb-O-P +mp-2713998,LaNb3(PO4)6,-8.4276305971,-2.9440933519,0.0182487368,0.0182487368,GGA,P3,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:La-Nb-O-P,102.0,AB3C24D6_hP102_143_2ab_2a3b4c_24d_6d:La-Nb-O-P +mp-2713958,NaLaNb(PO4)3,-8.0494488572,-2.9405594409,0.1051128156,0.1051128156,GGA,R3c,ABCD12E3_hR108_161_a_a_a_4b_b:La-Na-Nb-O-P,108.0,"Invalid WP multiplicities - ABCD12E3_hR108_161_a_a_a_12b_b:La-Na-Nb-O-P, expected NaLaNb(PO12)3 to be NaLaNb(PO4)3" +mp-2714602,Na7La2Nb2Si5PO24,-7.5844277131,-2.9358247114,0.1188693638,0.1188693638,GGA,P1,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:La-Na-Nb-O-P-Si,123.0,A2B7C2D24EF5_aP123_1_6a_21a_6a_72a_3a_15a:La-Na-Nb-O-P-Si +mp-2713915,Na2La3Nb5(PO4)12,-8.2568073787,-2.9659461598,0.0420686213,0.0420686213,GGA,P1,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:La-Na-Nb-O-P,210.0,A3B2C5D48E12_aP210_1_9a_6a_15a_144a_36a:La-Na-Nb-O-P +mp-2715271,Na3LaNbSi2PO12,-7.664666998399999,-2.9332124421,0.1367115639,0.1367115639,GGA,Cc,AB3CD12EF2_mC240_9_3a_9a_3a_36a_3a_6a:La-Na-Nb-O-P-Si,240.0,"Invalid WP multiplicities - AB3CD12EF2_mC240_9_10a_30a_10a_132a_10a_22a:La-Na-Nb-O-P-Si, expected Na15La5Nb5Si11P5O66 to be Na3LaNbSi2PO12" +mp-2715495,Na3LaNbSi2PO12,-7.6663643565,-2.9349098001,0.1350142058,0.1350142058,GGA,Cc,AB3CD12EF2_mC80_9_a_3a_a_12a_a_2a:La-Na-Nb-O-P-Si,120.0,"Invalid WP multiplicities - AB3CD12EF2_mC80_9_a_13a_a_72a_a_12a:La-Na-Nb-O-P-Si, expected Na13LaNbSi12PO72 to be Na3LaNbSi2PO12" +mp-2715673,NaLaNb3SiP5O24,-8.3512576121,-2.986263122,0.0325114255,0.0325114255,GGA,P1,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:La-Na-Nb-O-P-Si,105.0,ABC3D24E5F_aP105_1_3a_3a_9a_72a_15a_3a:La-Na-Nb-O-P-Si +mp-2714972,Na4LaNb3Si4(PO12)2,-8.0334906743,-2.9866898953,0.0764905999,0.0764905999,GGA,P1,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:La-Na-Nb-O-P-Si,114.0,AB4C3D24E2F4_aP114_1_3a_12a_9a_72a_6a_12a:La-Na-Nb-O-P-Si +mp-2712840,Na3La2Nb2SiP5O24,-7.9516326749,-2.9447526802,0.1216868467,0.1216868467,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:La-Na-Nb-O-P-Si,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:La-Na-Nb-O-P-Si +mp-2715620,Na8La3NbSi4(PO12)2,-7.429210323499999,-2.9830690162,0.0761168928,0.0761168928,GGA,P1,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:La-Na-Nb-O-P-Si,126.0,A3B8CD24E2F4_aP126_1_9a_24a_3a_72a_6a_12a:La-Na-Nb-O-P-Si +mp-2712929,Na3LaNb3Si3(PO8)3,-8.1351074589,-2.9879753296,0.0661664788,0.0661664788,GGA,P1,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:La-Na-Nb-O-P-Si,111.0,AB3C3D24E3F3_aP111_1_3a_9a_9a_72a_9a_9a:La-Na-Nb-O-P-Si +mp-2715294,Na6La3NbSi2(PO6)4,-7.6169300227,-3.0152086909,0.0812499996,0.0812499996,GGA,P1,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:La-Na-Nb-O-P-Si,120.0,A3B6CD24E4F2_aP120_1_9a_18a_3a_72a_12a_6a:La-Na-Nb-O-P-Si +mp-2715296,Na6La3NbSi2(PO6)4,-7.6116749086,-3.0099535768,0.0865051136,0.0865051136,GGA,P1,A3B6CD24E4F2_aP40_1_3a_6a_a_24a_4a_2a:La-Na-Nb-O-P-Si,80.0,"Invalid WP multiplicities - A3B6CD24E4F2_aP40_1_6a_12a_a_48a_8a_4a:La-Na-Nb-O-P-Si, expected Na12La6NbSi4(PO6)8 to be Na6La3NbSi2(PO6)4" +mp-2713254,Na4La3Nb(PO4)6,-7.7981526873,-3.0244744863,0.0684089256,0.0684089256,GGA,P1,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:La-Na-Nb-O-P,114.0,A3B4CD24E6_aP114_1_9a_12a_3a_72a_18a:La-Na-Nb-O-P +mp-1218195,SrNd4Si3O13,-8.4974090664,-3.6714571369,0.0,-0.0241671774,GGA,P6_3,A4B13C3D_hP42_173_bc_a4c_c_b:Nd-O-Si-Sr,42.0,A4B13C3D_hP42_173_bc_a4c_c_b:Nd-O-Si-Sr +mp-677348,Nd8AlSi3(NO5)3,-7.8831836265,-2.6372994657,0.6859002591000001,0.6859002591000001,GGA,P1,AB3C8D15E3_aP60_1_2a_6a_16a_30a_6a:Al-N-Nd-O-Si,60.0,AB3C8D15E3_aP60_1_2a_6a_16a_30a_6a:Al-N-Nd-O-Si +mp-1262187,Nd8AlSi3(NO5)3,-7.910739101,-2.6648549402,0.6583447846,0.6583447846,GGA,P1,AB3C8D15E3_aP60_1_2a_6a_16a_30a_6a:Al-N-Nd-O-Si,60.0,AB3C8D15E3_aP60_1_2a_6a_16a_30a_6a:Al-N-Nd-O-Si +mp-1206993,Nd(AlSi)2,-4.98618443,-0.3641973995,0.018189955,0.018189955,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Al-Nd-Si,5.0,A2BC2_hP5_164_d_a_d:Al-Nd-Si +mp-532626,NdAl6Si30(N15O)3,-8.2287700047,-1.4054349333,0.0672901795,0.0672901795,GGA,P1,A6B45CD3E30_aP85_1_6a_45a_a_3a_30a:Al-N-Nd-O-Si,85.0,A6B45CD3E30_aP85_1_6a_45a_a_3a_30a:Al-N-Nd-O-Si +mp-695170,Nd3Al3Si3(NO6)2,-8.369871635199999,-3.2459421455,0.0058748189,0.0058748189,GGA,C2,A3B2C3D12E3_mC46_5_ac_c_ac_6c_bc:Al-N-Nd-O-Si,23.0,"Invalid WP multiplicities - A3B2C3D12E3_mC46_5_a2c_c_ac_12c_bc:Al-N-Nd-O-Si, expected Nd3Al5Si3(NO12)2 to be Nd3Al3Si3(NO6)2" +mp-1220422,Nd3AlSi5N10O,-8.287771357,-1.6133590451000002,0.0708052554,0.0708052554,GGA,Pc,AB10C3DE5_mP40_7_a_10a_3a_a_5a:Al-N-Nd-O-Si,40.0,"Invalid WP multiplicities - AB10C3DE5_mP40_7_a_17a_4a_a_8a:Al-N-Nd-O-Si, expected Nd4AlSi8N17O to be Nd3AlSi5N10O" +mp-1173524,Nd3AlSi5N10O,-8.290637425,-1.6162251131,0.0679391874,0.0679391874,GGA,Pba2,AB10C3DE5_oP80_32_c_10c_3c_ab_5c:Al-N-Nd-O-Si,80.0,"Invalid WP multiplicities - AB10C3DE5_oP80_32_c_37c_8c_2a2b_15c:Al-N-Nd-O-Si, expected Nd8AlSi15N37O2 to be Nd3AlSi5N10O" +mp-42036,Nd6Al7Si5N3O25,-8.310995515,-3.2972735995,0.0364740615,0.0364740615,GGA,P1,A7B3C6D25E5_aP46_1_7a_3a_6a_25a_5a:Al-N-Nd-O-Si,46.0,A7B3C6D25E5_aP46_1_7a_3a_6a_25a_5a:Al-N-Nd-O-Si +mp-21910,Nd3AlN,-4.199950416,1.0773521945,1.8483892005,1.8483892005,GGA,Pm-3m,ABC3_cP5_221_b_a_c:Al-N-Nd,5.0,ABC3_cP5_221_b_a_c:Al-N-Nd +mp-546679,Nd2AlNO3,-8.2862108286,-3.0778634352,0.0764719361,0.0764719361,GGA,I4mm,ABC2D3_tI14_107_a_a_2a_ab:Al-N-Nd-O,7.0,ABC2D3_tI14_107_a_a_2a_ab:Al-N-Nd-O +mp-720118,Sr3Nd10Al12Si18(N2O)18,-8.1325963508,-2.106753018,0.0432578984,0.0432578984,GGA,Cm,A12B36C10D18E18F3_mC194_8_2a5b_6a15b_2a4b_2a8b_4a7b_ab:Al-N-Nd-O-Si-Sr,97.0,"Invalid WP multiplicities - A12B36C10D18E18F3_mC194_8_2a6b_6a19b_2a4b_2a9b_4a9b_ab:Al-N-Nd-O-Si-Sr, expected Sr3Nd10Al14Si22(N11O5)4 to be Sr3Nd10Al12Si18(N2O)18" +mp-1260118,Sr3Nd10Al12Si18(N2O)18,-8.136051188,-2.1102078552,0.0398030612,0.0398030612,GGA,Cm,A12B36C10D18E18F3_mC194_8_2a5b_6a15b_2a4b_2a8b_4a7b_ab:Al-N-Nd-O-Si-Sr,97.0,"Invalid WP multiplicities - A12B36C10D18E18F3_mC194_8_2a6b_6a19b_2a4b_2a9b_4a9b_ab:Al-N-Nd-O-Si-Sr, expected Sr3Nd10Al14Si22(N11O5)4 to be Sr3Nd10Al12Si18(N2O)18" +mp-1220161,NdAlSi,-5.283659355,-0.6373122575,0.0,-0.0941916033,GGA,I4_1md,ABC_tI12_109_a_a_a:Al-Nd-Si,6.0,ABC_tI12_109_a_a_a:Al-Nd-Si +mp-1220155,NdAlSi,-5.2792160833,-0.6328689858000001,0.0044432717,-0.0897483317,GGA,P-6m2,ABC_hP3_187_a_d_e:Al-Nd-Si,3.0,ABC_hP3_187_a_d_e:Al-Nd-Si +mp-1207200,NdAlSi2,-5.2854688387,-0.4443790081,0.033605185,0.033605185,GGA,P-3m1,ABC2_hP8_164_d_c_2d:Al-Nd-Si,8.0,ABC2_hP8_164_d_c_2d:Al-Nd-Si +mp-677612,Nd4AlSi5(NO)7,-7.9847151676,-2.0294217858,0.4825637747,0.4825637747,GGA,P1,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si,72.0,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si +mp-686280,Nd4AlSi5(NO)7,-7.8399660999,-1.884672718,0.6273128425,0.6273128425,GGA,P1,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si,72.0,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si +mp-1249065,Nd4AlSi5(NO)7,-7.9934950763,-2.0382016944,0.4737838661,0.4737838661,GGA,P1,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si,72.0,AB7C4D7E5_aP72_1_3a_21a_12a_21a_15a:Al-N-Nd-O-Si +mp-1033562,NaHfMg6O7,-6.2960535913,-2.5955058845,0.2497922786,0.2497922786,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_2ab2c:Hf-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_2ab4c:Hf-Mg-Na-O, expected NaHfMg10O11 to be NaHfMg6O7" +mp-1033572,NaHfMg6O7,-6.282022492,-2.5814747852,0.263823378,0.263823378,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_a2b2c:Hf-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_a2b4c:Hf-Mg-Na-O, expected NaHfMg10O11 to be NaHfMg6O7" +mp-1033590,NaHfMg6O7,-6.3209527887,-2.6204050819,0.2248930813,0.2248930813,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_a2b2c:Hf-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_a2b4c:Hf-Mg-Na-O, expected NaHfMg10O11 to be NaHfMg6O7" +mp-1033591,NaHfMg6O7,-6.2768125027,-2.5762647959,0.2690333673,0.2690333673,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_2ab2c:Hf-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_2ab4c:Hf-Mg-Na-O, expected NaHfMg10O11 to be NaHfMg6O7" +mp-1034229,NaHfMg14O15,-6.31260319,-2.8324752644,0.1205607755,0.1205607755,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Hf-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Hf-Mg-Na-O +mp-1034225,NaHfMg14O15,-6.2918946181,-2.8117666925,0.1412693474,0.1412693474,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Hf-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Hf-Mg-Na-O +mp-1034241,NaHfMg14O15,-6.3049439758,-2.8248160503,0.1282199897,0.1282199897,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Hf-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:Hf-Mg-Na-O +mp-1034380,NaHfMg14O15,-6.2974153187,-2.8172873932,0.1357486468,0.1357486468,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Hf-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:Hf-Mg-Na-O +mp-1039713,NaHfMg30O31,-6.3216975486,-2.9465314236,0.0578083671,0.0578083671,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_a2b2c2d2e2f2g2h2i:Hf-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_a2b2c2d4e4f2g2h2i:Hf-Mg-Na-O, expected NaHfMg38O39 to be NaHfMg30O31" +mp-1039734,NaHfMg30O31,-6.3081920535,-2.9330259285,0.0713138622,0.0713138622,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:Hf-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2ab2c2d2e2f4g4h2i:Hf-Mg-Na-O, expected NaHfMg38O39 to be NaHfMg30O31" +mp-1039728,NaHfMg30O31,-6.3112394894,-2.9360733644,0.0682664263,0.0682664263,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_2ab2c2d2e2f2g2h2i:Hf-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_2ab2c2d4e4f2g2h2i:Hf-Mg-Na-O, expected NaHfMg38O39 to be NaHfMg30O31" +mp-1039741,NaHfMg30O31,-6.3088924524,-2.9337263274,0.0706134633,0.0706134633,GGA,P4mm,AB30CD31_tP63_99_a_ab2c2d2e2f_b_2ab2c2d2e2f:Hf-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_tP63_99_a_ab2c2d6e6f_b_2ab2c2d6e6f:Hf-Mg-Na-O, expected NaHfMg62O63 to be NaHfMg30O31" +mp-1026645,NaHfMg14,-2.0095132475,0.0957139415,0.1166563308,0.1166563308,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Na, expected NaHfMg18 to be NaHfMg14" +mp-1026636,NaHfMg14,-2.0301587344,0.0750684546,0.0960108439,0.0960108439,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Na,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Na, expected NaHfMg26 to be NaHfMg14" +mp-1017289,NaHfMg6,-2.4128092406,0.1973650873,0.2153157067,0.2153157067,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Na,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Na, expected NaHfMg12 to be NaHfMg6" +mp-1098253,NaHfMg6,-2.4755106537,0.1346636742,0.1526142936,0.1526142936,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Na,8.0,AB6C_oC16_38_a_2bde_a:Hf-Mg-Na +mp-2715210,Na8HfMg3(PO4)6,-7.06080166,-2.8575022401,0.0010788861,0.0010788861,GGA,P3,AB3C8D24E6_hP126_143_2ab_2a3b4c_2a2b2c6d_24d_6d:Hf-Mg-Na-O-P,126.0,AB3C8D24E6_hP126_143_2ab_2a3b4c_2a2b2c6d_24d_6d:Hf-Mg-Na-O-P +mp-2716537,Na6Hf7Mg(PO4)12,-8.3276592002,-3.1704099672,0.0073984371,0.0073984371,GGA,P1,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Hf-Mg-Na-O-P,222.0,A7BC6D48E12_aP222_1_21a_3a_18a_144a_36a:Hf-Mg-Na-O-P +mp-2715374,Na3HfMg(PO4)3,-7.5245720139,-2.9683111631,0.008384056,0.008384056,GGA,Cc,ABC3D12E3_mC80_9_a_a_3a_12a_3a:Hf-Mg-Na-O-P,80.0,"Invalid WP multiplicities - ABC3D12E3_mC80_9_a_a_3a_30a_6a:Hf-Mg-Na-O-P, expected Na3HfMg(PO5)6 to be Na3HfMg(PO4)3" +mp-2715404,Na3HfMg(PO4)3,-7.5241442488,-2.9678833981,0.008811821,0.008811821,GGA,Cc,ABC3D12E3_mC240_9_3a_3a_9a_36a_9a:Hf-Mg-Na-O-P,120.0,"Invalid WP multiplicities - ABC3D12E3_mC240_9_3a_3a_14a_72a_18a:Hf-Mg-Na-O-P, expected Na14Hf3Mg3(PO4)18 to be Na3HfMg(PO4)3" +mp-2713645,Na4Hf3Mg(PO4)6,-8.0439371725,-3.097561056,0.0096813184,0.0096813184,GGA,P1,A3BC4D24E6_aP114_1_9a_3a_12a_72a_18a:Hf-Mg-Na-O-P,114.0,A3BC4D24E6_aP114_1_9a_3a_12a_72a_18a:Hf-Mg-Na-O-P +mp-2713419,Na10Hf5Mg3(PO4)12,-7.7744640988,-3.0281470929,0.0121480223,0.0121480223,GGA,P1,A5B3C10D48E12_aP234_1_15a_9a_30a_144a_36a:Hf-Mg-Na-O-P,234.0,A5B3C10D48E12_aP234_1_15a_9a_30a_144a_36a:Hf-Mg-Na-O-P +mp-2714180,Na14Hf3Mg5(PO4)12,-7.2876308316,-2.9121551039,0.0040426529,0.0040426529,GGA,P1,A3B5C14D48E12_aP246_1_9a_15a_42a_144a_36a:Hf-Mg-Na-O-P,246.0,A3B5C14D48E12_aP246_1_9a_15a_42a_144a_36a:Hf-Mg-Na-O-P +mp-2713577,Na6Hf3MgGe2(PO6)4,-7.6259596918,-2.9002898491,0.0196414,0.0196414,GGA,P1,A2B3CD6E24F4_aP120_1_6a_9a_3a_18a_72a_12a:Ge-Hf-Mg-Na-O-P,120.0,A2B3CD6E24F4_aP120_1_6a_9a_3a_18a_72a_12a:Ge-Hf-Mg-Na-O-P +mp-2713635,Na6Hf3MgGe2(PO6)4,-7.6267025871,-2.9010327444,0.0188985046,0.0188985046,GGA,P1,A2B3CD6E24F4_aP40_1_2a_3a_a_6a_24a_4a:Ge-Hf-Mg-Na-O-P,80.0,"Invalid WP multiplicities - A2B3CD6E24F4_aP40_1_4a_6a_a_12a_48a_8a:Ge-Hf-Mg-Na-O-P, expected Na12Hf6MgGe4(PO6)8 to be Na6Hf3MgGe2(PO6)4" +mp-776043,NaLi3Ti2Cr2(PO4)6,-7.9052575516,-2.8171860522000003,0.0190239593,0.0190239593,GGA+U,R3,A2B3CD24E6F2_hR114_146_2a_b_a_8b_2b_2a:Cr-Li-Na-O-P-Ti,38.0,"Invalid WP multiplicities - A2B3CD24E6F2_hR114_146_2a_b_a_22b_4b_2a:Cr-Li-Na-O-P-Ti, expected NaLi3Ti2Cr2(P2O11)6 to be NaLi3Ti2Cr2(PO4)6" +mp-772553,Na2Ti3Cr(PO4)6,-8.0714834797,-2.8719024181,0.016735973,0.016735973,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Na-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_23b_4b_3a:Cr-Na-O-P-Ti, expected Na2Ti3Cr(P4O23)3 to be Na2Ti3Cr(PO4)6" +mp-720098,Na2TiCr(PO4)3,-7.8449920284,-2.8032150743,0.0032527747,0.0032527747,GGA+U,C2,AB2C12D3E_mC76_5_c_2c_12c_ab2c_c:Cr-Na-O-P-Ti,38.0,"Invalid WP multiplicities - AB2C12D3E_mC76_5_c_2c_22c_ab2c_c:Cr-Na-O-P-Ti, expected Na2TiCrP3O22 to be Na2TiCr(PO4)3" +mp-21940,Na2TiCr(PO4)3,-7.8085256093,-2.7667486552,0.0397191938,0.0397191938,GGA+U,P2_13,AB2C12D3E_cP76_198_a_2a_4b_b_a:Cr-Na-O-P-Ti,76.0,"Invalid WP multiplicities - AB2C12D3E_cP76_198_a_6a_8b_b_a:Cr-Na-O-P-Ti, expected Na6TiCr(PO8)3 to be Na2TiCr(PO4)3" +mp-720533,NaLi5Ti3Cr3(PO4)9,-7.9046590487,-2.8114437109,0.0267072608,0.0267072608,GGA+U,P1,A3B5CD36E9F3_aP114_1_6a_10a_2a_72a_18a_6a:Cr-Li-Na-O-P-Ti,114.0,A3B5CD36E9F3_aP114_1_6a_10a_2a_72a_18a_6a:Cr-Li-Na-O-P-Ti +mp-1211939,Mn2Fe5Si8(HO12)2,-8.1148737732,-2.5152966504,0.0802219763,0.0802219763,GGA+U,Pnnm,A5B2C2D24E8_oP82_58_aef_g_f_2g5h_2h:Fe-H-Mn-O-Si,82.0,A5B2C2D24E8_oP82_58_aef_g_f_2g5h_2h:Fe-H-Mn-O-Si +mp-695983,Ca2Fe2Si5HO15,-7.9534299886,-2.9265944269,0.0044456319,0.0044456319,GGA+U,P-1,A2B2CD15E5_aP50_2_2i_2i_i_15i_5i:Ca-Fe-H-O-Si,50.0,A2B2CD15E5_aP50_2_2i_2i_i_15i_5i:Ca-Fe-H-O-Si +mp-1227550,Ca4MnFe11Si8(HO9)4,-7.8672479888,-2.4702340802,0.0207677311,0.0207677311,GGA+U,Pm,A4B11C4DE36F8_mP64_6_2a2b_a2b4c_2a2b_a_10a10b8c_4a4b:Ca-Fe-H-Mn-O-Si,64.0,"Invalid WP multiplicities - A4B11C4DE36F8_mP64_6_2a2b_a2b8c_2a2b_a_10a10b16c_4a4b:Ca-Fe-H-Mn-O-Si, expected Ca4MnFe19Si8(HO13)4 to be Ca4MnFe11Si8(HO9)4" +mp-1225755,Fe7Si3(H4O9)2,-7.2427272186,-1.9163853374,0.0038906597,0.0038906597,GGA+U,P1,A7B8C18D3_aP36_1_7a_8a_18a_3a:Fe-H-O-Si,36.0,A7B8C18D3_aP36_1_7a_8a_18a_3a:Fe-H-O-Si +mp-1225211,Fe11Si4(H4O9)3,-6.9099981435,-1.5554645662,0.324046808,0.324046808,GGA+U,P1,A11B12C27D4_aP54_1_11a_12a_27a_4a:Fe-H-O-Si,54.0,A11B12C27D4_aP54_1_11a_12a_27a_4a:Fe-H-O-Si +mp-721172,Ca2MnFeSi4(HO3)5,-6.9236667368,-2.1197928341,0.4599475655,0.4599475655,GGA+U,P-1,A2BC5DE15F4_aP56_2_2i_i_5i_i_15i_4i:Ca-Fe-H-Mn-O-Si,56.0,"Invalid WP multiplicities - A2BC5DE15F4_aP56_2_3i_i_9i_i_29i_7i:Ca-Fe-H-Mn-O-Si, expected Ca3MnFeSi7H9O29 to be Ca2MnFeSi4(HO3)5" +mp-1227867,Ca2MnFeSi4(HO3)5,-7.3712577155,-2.5673838128,0.0123565868,0.0123565868,GGA+U,P-1,A2BC5DE15F4_aP56_2_2i_i_5i_i_15i_4i:Ca-Fe-H-Mn-O-Si,56.0,A2BC5DE15F4_aP56_2_2i_i_5i_i_15i_4i:Ca-Fe-H-Mn-O-Si +mp-1263007,Ca2MnFeSi4(HO3)5,-6.9825428654,-2.1786689626,0.4010714369,0.4010714369,GGA+U,P-1,A2BC5DE15F4_aP56_2_2i_i_5i_i_15i_4i:Ca-Fe-H-Mn-O-Si,56.0,"Invalid WP multiplicities - A2BC5DE15F4_aP56_2_3i_i_9i_i_29i_7i:Ca-Fe-H-Mn-O-Si, expected Ca3MnFeSi7H9O29 to be Ca2MnFeSi4(HO3)5" +mp-721924,CaFe3Si2HO9,-7.8587959778,-2.4725944768,0.0007009082,0.0007009082,GGA+U,P2_1/c,AB3CD9E2_mP64_14_e_3e_e_9e_2e:Ca-Fe-H-O-Si,64.0,AB3CD9E2_mP64_14_e_3e_e_9e_2e:Ca-Fe-H-O-Si +mp-541023,CaFe3Si2HO9,-7.8446116088,-2.4584101077,0.0148852772,0.0148852772,GGA+U,Pnma,AB3CD9E2_oP64_62_c_cd_c_5c2d_2c:Ca-Fe-H-O-Si,64.0,AB3CD9E2_oP64_62_c_cd_c_5c2d_2c:Ca-Fe-H-O-Si +mp-977554,MgScAg2,-3.6880625625,-0.2885972721,0.0,-0.0197383925,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ag-Mg-Sc,4.0,A2BC_cF16_225_c_a_b:Ag-Mg-Sc +mp-2231980,MgScCr2Ag(H2O5)2,-6.7362508647,-1.8357671073,0.1476851982,0.1476851982,GGA+U,P1,AB2C4DE10F_aP19_1_a_2a_4a_a_10a_a:Ag-Cr-H-Mg-O-Sc,19.0,AB2C4DE10F_aP19_1_a_2a_4a_a_10a_a:Ag-Cr-H-Mg-O-Sc +mp-2219768,MgSc2Cr2O8,-8.3562747385,-2.7297499008,0.2481947474,0.2481947474,GGA+U,C2,A2BC8D2_mC26_5_c_a_4c_c:Cr-Mg-O-Sc,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_c_a_7c_c:Cr-Mg-O-Sc, expected MgSc2Cr2O14 to be MgSc2Cr2O8" +mp-2219537,MgSc2Cr2O8,-8.2192012285,-2.5926763908,0.3852682574,0.3852682574,GGA+U,C2/m,A2BC8D2_mC26_12_i_b_2ij_ac:Cr-Mg-O-Sc,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_12_i_a_3i2j_bc:Cr-Mg-O-Sc, expected MgSc2Cr2O14 to be MgSc2Cr2O8" +mp-2219069,MgSc2Cr2O8,-8.3935226092,-2.7669977715,0.2109468766,0.2109468766,GGA+U,Amm2,A2BC8D2_oC26_38_ab_a_2cde_c:Cr-Mg-O-Sc,13.0,"Invalid WP multiplicities - A2BC8D2_oC26_38_ab_a_2c2d2e_c:Cr-Mg-O-Sc, expected MgSc2Cr2O12 to be MgSc2Cr2O8" +mp-664427,ScCr2Ag(H2O5)2,-4.70629857,0.3775298378,2.104392307,2.104392307,GGA+U,P-1,AB2C4D10E_aP18_2_b_i_2i_5i_e:Ag-Cr-H-O-Sc,18.0,"Invalid WP multiplicities - AB2C4D10E_aP18_2_b_i_4i_8i_e:Ag-Cr-H-O-Sc, expected ScCr2Ag(HO2)8 to be ScCr2Ag(H2O5)2" +mp-2222809,MgSc2(AgO3)2,-6.7422825636,-2.2322405151,0.2894513753,0.2894513753,GGA,Amm2,A2BC6D2_oC22_38_2b_a_2a2e_d:Ag-Mg-O-Sc,11.0,"Invalid WP multiplicities - A2BC6D2_oC22_38_2b_a_2a4e_d:Ag-Mg-O-Sc, expected MgSc2(AgO5)2 to be MgSc2(AgO3)2" +mp-2222788,MgSc2(AgO3)2,-6.7927152491000005,-2.2826732005,0.2390186899,0.2390186899,GGA,Amm2,A2BC6D2_oC22_38_2a_a_2b2d_e:Ag-Mg-O-Sc,11.0,"Invalid WP multiplicities - A2BC6D2_oC22_38_2a_a_2b4d_e:Ag-Mg-O-Sc, expected MgSc2(AgO5)2 to be MgSc2(AgO3)2" +mp-2223703,MgSc2(AgO3)2,-6.7707363882,-2.2606943396,0.2609975508,0.2609975508,GGA,Amm2,A2BC6D2_oC22_38_2b_a_d2e_d:Ag-Mg-O-Sc,11.0,A2BC6D2_oC22_38_2b_a_d2e_d:Ag-Mg-O-Sc +mp-1096241,MgSc2Ag,-2.12165551,2.1527880558,2.316347085,2.316347085,GGA,Immm,ABC2_oI8_71_a_b_e:Ag-Mg-Sc,4.0,ABC2_oI8_71_a_b_e:Ag-Mg-Sc +mp-2716235,Na4HfInSi2PO12,-7.3081793592,-2.8499328337,0.0264780478,0.0264780478,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Hf-In-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_19a_72a_a_12a:Hf-In-Na-O-P-Si, expected Na19HfInSi12PO72 to be Na4HfInSi2PO12" +mp-2714876,Na7Hf2In2Si3(PO8)3,-7.3959704641,-2.8615359945,0.0197370657,0.0197370657,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Hf-In-Na-O-P-Si,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Hf-In-Na-O-P-Si +mp-2714752,Na3Hf3In(PO4)6,-8.1231833422,-3.0477462932,0.0144115526,0.0144115526,GGA,P1,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Hf-In-Na-O-P,111.0,A3BC3D24E6_aP111_1_9a_3a_9a_72a_18a:Hf-In-Na-O-P +mp-2715907,Na5Hf2In2SiP5O24,-7.5554913739,-2.8569597939,0.0268686092,0.0268686092,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Hf-In-Na-O-P-Si,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Hf-In-Na-O-P-Si +mp-2713660,Na2HfIn(PO4)3,-7.6458038023,-2.8587461495,0.0232819793,0.0232819793,GGA,Cc,ABC2D12E3_mC76_9_a_a_2a_12a_3a:Hf-In-Na-O-P,114.0,"Invalid WP multiplicities - ABC2D12E3_mC76_9_a_a_2a_72a_18a:Hf-In-Na-O-P, expected Na2HfIn(PO4)18 to be Na2HfIn(PO4)3" +mp-2715238,Na3HfInSi(PO6)2,-7.469837582,-2.8554057711,0.028462577,0.028462577,GGA,Cc,ABC3D12E2F_mC240_9_3a_3a_9a_36a_6a_3a:Hf-In-Na-O-P-Si,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC240_9_3a_3a_14a_72a_10a_3a:Hf-In-Na-O-P-Si, expected Na14Hf3In3Si3(P5O36)2 to be Na3HfInSi(PO6)2" +mp-2715245,Na3HfInSi(PO6)2,-7.4613699688,-2.8469381578,0.0369301903,0.0369301903,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Hf-In-Na-O-P-Si,80.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_3a_30a_2a_a:Hf-In-Na-O-P-Si, expected Na3HfInSi(PO15)2 to be Na3HfInSi(PO6)2" +mp-2713131,Na5HfIn3(PO4)6,-7.2009835958,-2.6875166523000003,0.023619181,0.023619181,GGA,P1,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Hf-In-Na-O-P,117.0,AB3C5D24E6_aP117_1_3a_9a_15a_72a_18a:Hf-In-Na-O-P +mp-2715200,Na8TiZn3(PO4)6,-6.7075432327,-2.5776558683,0.049534458,0.049534458,GGA,P3,A8B24C6DE3_hP126_143_2a2b2c6d_24d_6d_2ab_2a3b4c:Na-O-P-Ti-Zn,126.0,A8B24C6DE3_hP126_143_2a2b2c6d_24d_6d_2ab_2a3b4c:Na-O-P-Ti-Zn +mp-2713421,Na10Ti5Zn3(PO4)12,-7.3679056288,-2.7668462434,0.0427472145,0.0427472145,GGA,P1,A10B48C12D5E3_aP234_1_30a_144a_36a_15a_9a:Na-O-P-Ti-Zn,234.0,A10B48C12D5E3_aP234_1_30a_144a_36a_15a_9a:Na-O-P-Ti-Zn +mp-2714842,Na7Ti3ZnSi3(PO8)3,-7.3826503659,-2.8597165271,0.0508059979,0.0508059979,GGA,P1,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Si-Ti-Zn,123.0,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-P-Si-Ti-Zn +mp-2714157,Na14Ti3Zn5(PO4)12,-6.9142660028,-2.6349826318,0.0500428338,0.0500428338,GGA,P1,A14B48C12D3E5_aP246_1_42a_144a_36a_9a_15a:Na-O-P-Ti-Zn,246.0,A14B48C12D3E5_aP246_1_42a_144a_36a_9a_15a:Na-O-P-Ti-Zn +mp-2715428,Na3TiZn(PO4)3,-7.1300203694,-2.6938711913,0.0518811705,0.0518811705,GGA,Cc,A3B12C3DE_mC80_9_3a_12a_3a_a_a:Na-O-P-Ti-Zn,80.0,"Invalid WP multiplicities - A3B12C3DE_mC80_9_3a_30a_6a_a_a:Na-O-P-Ti-Zn, expected Na3TiZn(PO5)6 to be Na3TiZn(PO4)3" +mp-2715232,Na3TiZn(PO4)3,-7.129334056,-2.6931848779000003,0.0525674839,0.0525674839,GGA,Cc,A3B12C3DE_mC240_9_9a_36a_9a_3a_3a:Na-O-P-Ti-Zn,120.0,"Invalid WP multiplicities - A3B12C3DE_mC240_9_14a_72a_18a_3a_3a:Na-O-P-Ti-Zn, expected Na14Ti3Zn3(PO4)18 to be Na3TiZn(PO4)3" +mp-2713298,Na4Ti3Zn(PO4)6,-7.6206294707,-2.8459803932,0.0308142183,0.0308142183,GGA,P1,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Ti-Zn,114.0,A4B24C6D3E_aP114_1_12a_72a_18a_9a_3a:Na-O-P-Ti-Zn +mp-2714357,Na4TiZnSi(PO6)2,-6.9864196137,-2.6979660719,0.0732170087,0.0732170087,GGA,Cc,A4B12C2DEF_mC252_9_12a_36a_6a_3a_3a_3a:Na-O-P-Si-Ti-Zn,126.0,"Invalid WP multiplicities - A4B12C2DEF_mC252_9_18a_60a_9a_3a_3a_3a:Na-O-P-Si-Ti-Zn, expected Na6TiZnSiP3O20 to be Na4TiZnSi(PO6)2" +mp-2715630,Na7Ti2Zn2SiP5O24,-7.0555800478,-2.6950798541000003,0.0690438835,0.0690438835,GGA,P1,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Zn,123.0,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Zn +mp-2716098,Na5Ti3ZnSiP5O24,-7.5393227003,-2.852881527,0.038964969,0.038964969,GGA,P1,A5B24C5DE3F_aP117_1_15a_72a_15a_3a_9a_3a:Na-O-P-Si-Ti-Zn,117.0,A5B24C5DE3F_aP117_1_15a_72a_15a_3a_9a_3a:Na-O-P-Si-Ti-Zn +mp-2715426,Na6Ti3ZnSi2(PO6)4,-7.457199519,-2.8545558546,0.0504349983,0.0504349983,GGA,P1,A6B24C4D2E3F_aP40_1_6a_24a_4a_2a_3a_a:Na-O-P-Si-Ti-Zn,80.0,"Invalid WP multiplicities - A6B24C4D2E3F_aP40_1_12a_48a_8a_4a_6a_a:Na-O-P-Si-Ti-Zn, expected Na12Ti6ZnSi4(PO6)8 to be Na6Ti3ZnSi2(PO6)4" +mp-2715325,Na6Ti3ZnSi2(PO6)4,-7.4612175288,-2.8585738644000003,0.0464169884,0.0464169884,GGA,P1,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-Si-Ti-Zn,120.0,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-Si-Ti-Zn +mp-2714706,Na6Ti7Zn(PO4)12,-7.8867925676,-2.9291705715000003,0.0184576885,0.0184576885,GGA,P1,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-P-Ti-Zn,222.0,A6B48C12D7E_aP222_1_18a_144a_36a_21a_3a:Na-O-P-Ti-Zn +mp-2715700,Na8Ti3ZnSi4(PO12)2,-7.3057824845,-2.8587627652,0.0485263433,0.0485263433,GGA,P1,A8B24C2D4E3F_aP126_1_24a_72a_6a_12a_9a_3a:Na-O-P-Si-Ti-Zn,126.0,A8B24C2D4E3F_aP126_1_24a_72a_6a_12a_9a_3a:Na-O-P-Si-Ti-Zn +mp-1200625,BaTiMn2(SiO5)2,-8.4352964681,-2.9067951735,0.0711234831,0.0711234831,GGA+U,P2_1/m,AB2C10D2E_mP32_11_e_ae_4e3f_f_e:Ba-Mn-O-Si-Ti,32.0,AB2C10D2E_mP32_11_e_ae_4e3f_f_e:Ba-Mn-O-Si-Ti +mp-17863,Mn2Si(P2O7)2,-8.151545295,-2.6917262189,0.0008501179,0.0008501179,GGA+U,C2/c,A2B14C4D_mC84_15_f_7f_2f_e:Mn-O-P-Si,42.0,"Invalid WP multiplicities - A2B14C4D_mC84_15_f_8f_2f_e:Mn-O-P-Si, expected Mn2Si(PO4)4 to be Mn2Si(P2O7)2" +mp-1214713,Ba2TiMn2Si2PO13,-8.3246145912,-3.0565972439,0.0235868184,0.0235868184,GGA+U,P-1,A2B2C13DE2F_aP42_2_2i_aci_13i_i_2i_i:Ba-Mn-O-P-Si-Ti,42.0,A2B2C13DE2F_aP42_2_2i_aci_13i_i_2i_i:Ba-Mn-O-P-Si-Ti +mp-758563,Li4Cr3Co3(NiO8)2,-7.0225737818,-1.7144637817,0.0626168075,0.0626168075,GGA+U,Cm,A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a4b:Co-Cr-Li-Ni-O,28.0,"Invalid WP multiplicities - A3B3C4D2E16_mC56_8_ab_ab_4a_2a_8a6b:Co-Cr-Li-Ni-O, expected Li4Cr3Co3(NiO10)2 to be Li4Cr3Co3(NiO8)2" +mp-776777,Li4CrCo2Ni3(PO4)6,-7.2814301728,-2.2802769558,0.0927124872,0.0927124872,GGA+U,P1,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Cr-Li-Ni-O-P,40.0,A2BC4D3E24F6_aP40_1_2a_a_4a_3a_24a_6a:Co-Cr-Li-Ni-O-P +mp-757291,Cr2CoNi3(PO4)6,-7.537814705,-2.1223934026,0.1136136918,0.1136136918,GGA+U,R3,AB2C3D24E6_hR108_146_a_2a_3a_8b_2b:Co-Cr-Ni-O-P,36.0,"Invalid WP multiplicities - AB2C3D24E6_hR108_146_a_2a_3a_20b_2b:Co-Cr-Ni-O-P, expected Cr2CoNi3(PO10)6 to be Cr2CoNi3(PO4)6" +mp-777762,Li10Cr3Co2Ni3O16,-6.5190791906,-1.8498898939,0.106603927,0.106603927,GGA+U,P1,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Cr-Li-Ni-O,34.0,A2B3C10D3E16_aP34_1_2a_3a_10a_3a_16a:Co-Cr-Li-Ni-O +mp-6873,CaAlSiO4F,-7.6566152931,-3.5472743491000003,0.0293813809,0.0293813809,GGA,C2/c,ABCD4E_mC32_15_a_e_e_2f_e:Al-Ca-F-O-Si,16.0,ABCD4E_mC32_15_c_e_e_2f_e:Al-Ca-F-O-Si +mp-695616,Ca6TiAl5Si6(O5F)5,-7.7935573469,-3.5345262793,0.0255196347,0.0255196347,GGA,P1,A5B6C5D25E6F_aP96_1_10a_12a_10a_50a_12a_2a:Al-Ca-F-O-Si-Ti,96.0,A5B6C5D25E6F_aP96_1_10a_12a_10a_50a_12a_2a:Al-Ca-F-O-Si-Ti +mp-1227381,Ca2TiAlSi2O9F,-8.0746402556,-3.5162289409,0.0105973411,0.0105973411,GGA,P1,AB2CD9E2F_aP16_1_a_2a_a_9a_2a_a:Al-Ca-F-O-Si-Ti,16.0,AB2CD9E2F_aP16_1_a_2a_a_9a_2a_a:Al-Ca-F-O-Si-Ti +mp-695698,Ca2TiAlSi2O9F,-8.0683531841,-3.5099418693,0.0168844127,0.0168844127,GGA,P-1,AB2CD9E2F_aP32_2_ac_2i_i_9i_2i_fh:Al-Ca-F-O-Si-Ti,32.0,"Invalid WP multiplicities - AB2CD9E2F_aP32_2_ac_4i_i_18i_4i_fh:Al-Ca-F-O-Si-Ti, expected Ca4TiAlSi4O18F to be Ca2TiAlSi2O9F" +mp-1254289,TiAlF5,-6.5030029214,-3.4746511094,0.1394033617,0.1394033617,GGA,Immm,AB5C_oI14_71_a_ceg_b:Al-F-Ti,7.0,AB5C_oI14_71_a_ceg_b:Al-F-Ti +mp-1047451,Ti3AlF15,-6.5092553305,-3.5564007836,0.1700595471,0.1700595471,GGA,P2_1/m,AB15C3_mP38_11_e_3e6f_af:Al-F-Ti,38.0,"Invalid WP multiplicities - AB15C3_mP38_11_e_6e24f_2a2f:Al-F-Ti, expected Ti6AlF54 to be Ti3AlF15" +mp-693358,Ca6Ti5AlSi6O29F,-8.3442174532,-3.4864258914,0.0071807586,0.0071807586,GGA,P1,AB6CD29E6F5_aP96_1_2a_12a_2a_58a_12a_10a:Al-Ca-F-O-Si-Ti,96.0,AB6CD29E6F5_aP96_1_2a_12a_2a_58a_12a_10a:Al-Ca-F-O-Si-Ti +mp-43094,Ca3Ti2AlSi3O14F,-8.2066462906,-3.4985448524,0.0116716136,0.0116716136,GGA,P-1,AB3CD14E3F2_aP48_2_ac_3i_i_14i_3i_2i:Al-Ca-F-O-Si-Ti,48.0,"Invalid WP multiplicities - AB3CD14E3F2_aP48_2_ac_6i_i_28i_6i_4i:Al-Ca-F-O-Si-Ti, expected Ca6Ti4AlSi6O28F to be Ca3Ti2AlSi3O14F" +mp-43114,Ca3TiAl2Si3O13F2,-7.9306681687,-3.5219469776,0.0214891204,0.0214891204,GGA,P-1,A2B3C2D13E3F_aP48_2_2i_3i_2i_13i_3i_ac:Al-Ca-F-O-Si-Ti,48.0,"Invalid WP multiplicities - A2B3C2D13E3F_aP48_2_4i_6i_3i_26i_6i_ac:Al-Ca-F-O-Si-Ti, expected Ca6TiAl4Si6O26F3 to be Ca3TiAl2Si3O13F2" +mp-534953,Ca4Ti3AlSi4O19F,-8.2759720423,-3.4930255423,0.0088860157,0.0088860157,GGA,P-1,AB4CD19E4F3_aP64_2_ac_4i_i_19i_4i_fh2i:Al-Ca-F-O-Si-Ti,64.0,"Invalid WP multiplicities - AB4CD19E4F3_aP64_2_ac_8i_i_37i_7i_fh4i:Al-Ca-F-O-Si-Ti, expected Ca8Ti5AlSi7O37F to be Ca4Ti3AlSi4O19F" +mp-2714560,Na6Ta4Nb4Si11SO48,-8.4134194163,-3.0481830815,0.0275168497,0.0275168497,GGA,P1,A6B4C48DE11F4_aP222_1_18a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Ta,222.0,A6B4C48DE11F4_aP222_1_18a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Ta +mp-2713463,Na2Ta2Nb2Si5SO24,-8.4649486802,-3.0053157631,0.0283959153,0.0283959153,GGA,P1,A2B2C24DE5F2_aP108_1_6a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Ta,108.0,A2B2C24DE5F2_aP108_1_6a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Ta +mp-2714266,Na2Ta4Nb4Si9(SO16)3,-8.4997389982,-2.9403154086,0.0238903261,0.0238903261,GGA,P1,A2B4C48D3E9F4_aP210_1_6a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Ta,210.0,A2B4C48D3E9F4_aP210_1_6a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Ta +mp-2715710,TaNbSi2SO12,-8.5445685291,-2.8794842272,0.0,-0.0010620246,GGA,P1,AB12CD2E_aP102_1_6a_72a_6a_12a_6a:Nb-O-S-Si-Ta,102.0,AB12CD2E_aP102_1_6a_72a_6a_12a_6a:Nb-O-S-Si-Ta +mp-720196,Mn2FeAg2(PO4)3,-6.644377572,-1.2414107792,0.944093445,0.944093445,GGA+U,C2,A2BC2D12E3_mC80_5_abc_c_abc_12c_ab2c:Ag-Fe-Mn-O-P,40.0,"Invalid WP multiplicities - A2BC2D12E3_mC80_5_ab2c_c_ab2c_22c_ab4c:Ag-Fe-Mn-O-P, expected Mn3FeAg3P5O22 to be Mn2FeAg2(PO4)3" +mp-1222056,Mn2FeAg2(PO4)3,-7.5808740353,-2.1779072425,0.0075969818,0.0075969818,GGA+U,C2,A2BC2D12E3_mC80_5_abc_c_abc_12c_ab2c:Ag-Fe-Mn-O-P,40.0,A2BC2D12E3_mC80_5_abc_c_abc_12c_ab2c:Ag-Fe-Mn-O-P +mp-1202376,FeAgP2O7,-7.3547062727,-2.1950696177,0.0,-0.0249648095,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Ag-Fe-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Ag-Fe-O-P +mp-1210177,NaMn3Ag(PO4)3,-7.7437754512,-2.3817104899,0.0,-0.0008353925,GGA+U,C2/c,AB3CD12E3_mC80_15_e_ef_a_6f_ef:Ag-Mn-Na-O-P,40.0,AB3CD12E3_mC80_15_e_ef_a_6f_ef:Ag-Mn-Na-O-P +mp-1173558,NaMn2FeAg(PO4)3,-7.6727045555,-2.3452392982,0.0084507962,0.0084507962,GGA+U,C2,ABC2DE12F3_mC80_5_ab_c_abc_c_12c_ab2c:Ag-Fe-Mn-Na-O-P,40.0,ABC2DE12F3_mC80_5_ab_c_abc_c_12c_ab2c:Ag-Fe-Mn-Na-O-P +mp-1173587,NaMn2FeAg(PO4)3,-7.2457768058,-1.9183115485,0.435378546,0.435378546,GGA+U,C2,ABC2DE12F3_mC80_5_ab_c_abc_c_12c_ab2c:Ag-Fe-Mn-Na-O-P,40.0,"Invalid WP multiplicities - ABC2DE12F3_mC80_5_ab_c_ab2c_c_22c_ab4c:Ag-Fe-Mn-Na-O-P, expected NaMn3FeAgP5O22 to be NaMn2FeAg(PO4)3" +mp-1204059,Fe3Ag7(P2O7)4,-6.9537117309,-2.0178060869,0.0160445749,0.0160445749,GGA+U,P2_1/c,A7B3C28D8_mP184_14_7e_3e_28e_8e:Ag-Fe-O-P,184.0,A7B3C28D8_mP184_14_7e_3e_28e_8e:Ag-Fe-O-P +mp-1210836,MnFe2Ag2(PO4)3,-7.4863604233,-2.1179933346,0.0256580612,0.0256580612,GGA+U,C2/c,A2B2CD12E3_mC80_15_ae_f_e_6f_ef:Ag-Fe-Mn-O-P,40.0,A2B2CD12E3_mC80_15_ae_f_e_6f_ef:Ag-Fe-Mn-O-P +mp-763223,Li4Mn3Fe2Ni3O16,-6.9730554518000005,-1.6677265524,0.0523601397,0.0523601397,GGA+U,P1,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Mn-Ni-O,28.0,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Mn-Ni-O +mp-1177440,Li4Mn2FeNi3(PO4)6,-7.4105955377,-2.3363331025000003,0.0837003225,0.0837003225,GGA+U,P1,AB4C2D3E24F6_aP40_1_a_4a_2a_3a_24a_6a:Fe-Li-Mn-Ni-O-P,40.0,AB4C2D3E24F6_aP40_1_a_4a_2a_3a_24a_6a:Fe-Li-Mn-Ni-O-P +mp-780788,MnFe3Ni2(PO4)6,-7.7102498611,-2.2287860724,0.0266882952,0.0266882952,GGA+U,R3,A3BC2D24E6_hR108_146_3a_a_2a_8b_2b:Fe-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A3BC2D24E6_hR108_146_3a_a_2a_22b_2b:Fe-Mn-Ni-O-P, expected MnFe3Ni2(PO11)6 to be MnFe3Ni2(PO4)6" +mp-1221897,MnFeNiO4,-7.8014525521,-1.6301771197,0.0595555843,0.0595555843,GGA+U,Imma,ABCD4_oI28_74_e_a_c_hi:Fe-Mn-Ni-O,14.0,"Invalid WP multiplicities - ABCD4_oI28_74_e_a_c_2h2i:Fe-Mn-Ni-O, expected MnFeNiO8 to be MnFeNiO4" +mp-769561,Li4Mn3Fe3(NiO8)2,-7.1221387843,-1.7207425803,0.06653837,0.06653837,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Fe-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Fe-Li-Mn-Ni-O, expected Li4Mn3Fe3(NiO10)2 to be Li4Mn3Fe3(NiO8)2" +mp-764933,Li10Mn2Fe3Ni3O16,-6.5184005568,-1.832790195,0.0816733278,0.0816733278,GGA+U,Cm,A3B10C2D3E16_mC68_8_ab_6a2b_2a_ab_8a4b:Fe-Li-Mn-Ni-O,34.0,"Invalid WP multiplicities - A3B10C2D3E16_mC68_8_ab_6a3b_2a_ab_8a8b:Fe-Li-Mn-Ni-O, expected Li12Mn2Fe3(NiO8)3 to be Li10Mn2Fe3Ni3O16" +mp-764918,Mn2Fe3Ni(PO4)6,-7.8373692614,-2.2619644002,0.0604171247,0.0604171247,GGA+U,R3,A3B2CD24E6_hR108_146_3a_2a_a_8b_2b:Fe-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A3B2CD24E6_hR108_146_3a_2a_a_22b_2b:Fe-Mn-Ni-O-P, expected Mn2Fe3Ni(PO11)6 to be Mn2Fe3Ni(PO4)6" +mp-765636,Li4Mn2Fe3Ni3O16,-6.866387595,-1.5857727700000002,0.0795203103,0.0795203103,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Fe-Li-Mn-Ni-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Fe-Li-Mn-Ni-O, expected Li4Mn2Fe3Ni3O20 to be Li4Mn2Fe3Ni3O16" +mp-756802,Mn3FeNi2(PO4)6,-7.7848586603,-2.2649507559,0.0264949055,0.0264949055,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Fe-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Fe-Mn-Ni-O-P, expected Mn3FeNi2(PO11)6 to be Mn3FeNi2(PO4)6" +mp-1026675,HfMg14Si,-2.3234453088,0.0382064262,0.1523136535,0.1523136535,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Hf-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Hf-Mg-Si, expected HfMg18Si to be HfMg14Si" +mp-1026668,HfMg14Si,-2.2992189013,0.0624328337,0.176540061,0.176540061,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Hf-Mg-Si,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Hf-Mg-Si, expected HfMg26Si to be HfMg14Si" +mp-1039844,HfMg30SiO32,-6.3701977155,-2.9063704136,0.1452607688,0.1452607688,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Hf-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Hf-Mg-O-Si, expected HfMg90SiO80 to be HfMg30SiO32" +mp-1039784,HfMg30SiO32,-6.3689991525,-2.9051718506,0.1464593318,0.1464593318,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Hf-Mg-O-Si,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Hf-Mg-O-Si, expected HfMg110SiO72 to be HfMg30SiO32" +mp-2715596,Na8Hf3MgSi4(PO12)2,-7.665893353199999,-3.063501551,0.0154637789,0.0154637789,GGA,P1,A3BC8D24E2F4_aP126_1_9a_3a_24a_72a_6a_12a:Hf-Mg-Na-O-P-Si,126.0,A3BC8D24E2F4_aP126_1_9a_3a_24a_72a_6a_12a:Hf-Mg-Na-O-P-Si +mp-2714679,Na7Hf3MgSi3(PO8)3,-7.7524740954,-3.0703786107,0.0176268486,0.0176268486,GGA,P1,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Hf-Mg-Na-O-P-Si,123.0,A3BC7D24E3F3_aP123_1_9a_3a_21a_72a_9a_9a:Hf-Mg-Na-O-P-Si +mp-2715887,Na5Hf3MgSiP5O24,-7.9423415409,-3.0885765861,0.01216168,0.01216168,GGA,P1,A3BC5D24E5F_aP117_1_9a_3a_15a_72a_15a_3a:Hf-Mg-Na-O-P-Si,117.0,A3BC5D24E5F_aP117_1_9a_3a_15a_72a_15a_3a:Hf-Mg-Na-O-P-Si +mp-1030814,HfMg6SiO8,-6.6255223444,-2.5906662787,0.4537375527,0.4537375527,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Hf-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Hf-Mg-O-Si, expected HfMg6SiO12 to be HfMg6SiO8" +mp-1030870,HfMg6SiO8,-6.574561145,-2.5397050794,0.504698752,0.504698752,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Hf-Mg-O-Si,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Hf-Mg-O-Si, expected HfMg6SiO12 to be HfMg6SiO8" +mp-2715556,Na7Hf2Mg2SiP5O24,-7.4350838222,-2.9574015088000003,0.0162909524,0.0162909524,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Hf-Mg-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Hf-Mg-Na-O-P-Si +mp-2714592,Na4HfMgSi(PO6)2,-7.3470939845,-2.9442483735,0.025263707,0.025263707,GGA,Cc,ABC4D12E2F_mC252_9_3a_3a_12a_36a_6a_3a:Hf-Mg-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12E2F_mC252_9_3a_3a_18a_60a_9a_3a:Hf-Mg-Na-O-P-Si, expected Na6HfMgSiP3O20 to be Na4HfMgSi(PO6)2" +mp-1017314,HfMg6Si,-3.0510475637,0.0719758563,0.2815720582,0.2815720582,GGA,Amm2,AB6C_oC16_38_a_abde_b:Hf-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Hf-Mg-Si, expected HfMg12Si to be HfMg6Si" +mp-1017320,HfMg6Si,-3.0524725162,0.0705509038,0.2801471057,0.2801471057,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Hf-Mg-Si,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Hf-Mg-Si, expected HfMg12Si to be HfMg6Si" +mp-2715379,Na6Hf3MgSi2(PO6)4,-7.8448435359,-3.0790591844,0.0155001786,0.0155001786,GGA,P1,A3BC6D24E4F2_aP40_1_3a_a_6a_24a_4a_2a:Hf-Mg-Na-O-P-Si,80.0,"Invalid WP multiplicities - A3BC6D24E4F2_aP40_1_6a_a_12a_48a_8a_4a:Hf-Mg-Na-O-P-Si, expected Na12Hf6MgSi4(PO6)8 to be Na6Hf3MgSi2(PO6)4" +mp-2715407,Na6Hf3MgSi2(PO6)4,-7.848672419,-3.0828880676,0.0116712955,0.0116712955,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Hf-Mg-Na-O-P-Si,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Hf-Mg-Na-O-P-Si +mp-1034694,HfMg14SiO16,-6.4245900294,-2.7704198062,0.2788022591,0.2788022591,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Hf-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Hf-Mg-O-Si, expected HfMg18SiO20 to be HfMg14SiO16" +mp-1034573,HfMg14SiO16,-6.4264060709,-2.7722358478,0.2769862176,0.2769862176,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Hf-Mg-O-Si,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Hf-Mg-O-Si, expected HfMg30SiO32 to be HfMg14SiO16" +mp-2715589,Na2Zr4Nb4Si7S5O48,-8.1788231229,-2.845371595,0.0411453981,0.0411453981,GGA,P1,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Zr,210.0,A2B4C48D5E7F4_aP210_1_6a_12a_144a_15a_21a_12a:Na-Nb-O-S-Si-Zr +mp-2715804,NaZrNbSi2SO12,-8.1346104926,-2.8946726356,0.0614523502,0.0614523502,GGA,Cc,ABC12DE2F_mC72_9_a_a_12a_a_2a_a:Na-Nb-O-S-Si-Zr,108.0,"Invalid WP multiplicities - ABC12DE2F_mC72_9_a_a_60a_a_7a_a:Na-Nb-O-S-Si-Zr, expected NaZrNbSi7SO60 to be NaZrNbSi2SO12" +mp-2715077,Na4Zr2Nb2Si5SO24,-8.0623826626,-2.994706831,0.0597931576,0.0597931576,GGA,P1,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Zr,114.0,A4B2C24DE5F2_aP114_1_12a_6a_72a_3a_15a_6a:Na-Nb-O-S-Si-Zr +mp-2712972,Na6Zr4Nb4Si9(SO16)3,-8.103805582,-2.9523266029,0.0695180651,0.0695180651,GGA,P1,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Zr,222.0,A6B4C48D3E9F4_aP222_1_18a_12a_144a_9a_27a_12a:Na-Nb-O-S-Si-Zr +mp-2716306,Na10Zr4Nb4Si11SO48,-8.02457345,-3.0364031686,0.0406221923,0.0406221923,GGA,P1,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Zr,234.0,A10B4C48DE11F4_aP234_1_30a_12a_144a_3a_33a_12a:Na-Nb-O-S-Si-Zr +mp-2714012,Zr2Nb2Si3(SO8)3,-8.2047386086,-2.7722726057,0.0325666875,0.0325666875,GGA,P1,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Zr,102.0,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Nb-O-S-Si-Zr +mp-2713813,NaZr3NbSi3(SO8)3,-8.1103184178,-2.8396679897,0.0354926095,0.0354926095,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Zr,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-S-Si-Zr +mp-758164,Fe3Co2Sb(PO4)6,-7.6504582767,-2.2350125942,0.0624696307,0.0624696307,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Co-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Co-Fe-O-P-Sb, expected Fe3Co2Sb(PO10)6 to be Fe3Co2Sb(PO4)6" +mp-1233823,MgFe3Co2Sb(PO4)6,-7.5900517643,-2.2777186665,0.1125749237,0.1125749237,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-1234410,MgFe3Co2Sb(PO4)6,-7.5803023086,-2.2679692108,0.1223243794,0.1223243794,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-1234723,MgFe3Co2Sb(PO4)6,-7.5315365857,-2.2192034878,0.1710901024,0.1710901024,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-2216000,MgFe3Co2Sb(PO4)6,-7.5285769535,-2.2162438557,0.1740497345,0.1740497345,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-1233136,MgFe3Co2Sb(PO4)6,-7.5638275259,-2.2514944281,0.1387991621,0.1387991621,GGA+U,R3,A2B3CD24E6F_hR111_146_2a_3a_a_8b_2b_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-1233569,MgFe3Co2Sb(PO4)6,-7.5735371514,-2.2612040535,0.1290895367,0.1290895367,GGA+U,R3,A2B3CD24E6F_hR111_146_2a_3a_a_8b_2b_a:Co-Fe-Mg-O-P-Sb,37.0,"Invalid WP multiplicities - A2B3CD24E6F_hR111_146_2a_3a_a_20b_2b_a:Co-Fe-Mg-O-P-Sb, expected MgFe3Co2Sb(PO10)6 to be MgFe3Co2Sb(PO4)6" +mp-1234239,MgFe3Co2Sb(PO4)6,-7.544369183,-2.2320360851,0.1582575051,0.1582575051,GGA+U,R3,A2B3CD24E6F_hR111_146_2a_3a_a_8b_2b_a:Co-Fe-Mg-O-P-Sb,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Co-Fe-Mg-O-P-Sb +mp-2216303,MgFe3Co2Sb(PO4)6,-7.594542317,-2.2822092192,0.108084371,0.108084371,GGA+U,R3,A2B3CD24E6F_hR111_146_2a_3a_a_8b_2b_a:Co-Fe-Mg-O-P-Sb,37.0,"Invalid WP multiplicities - A2B3CD24E6F_hR111_146_2a_3a_a_20b_2b_a:Co-Fe-Mg-O-P-Sb, expected MgFe3Co2Sb(PO10)6 to be MgFe3Co2Sb(PO4)6" +mp-829913,Fe3CoSb2(PO4)6,-7.5826865286,-2.2499996393,0.0760162045,0.0760162045,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Co-Fe-O-P-Sb,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_2b_2a:Co-Fe-O-P-Sb, expected Fe3CoSb2(PO11)6 to be Fe3CoSb2(PO4)6" +mp-1248912,ZnCr(SiO3)2,-7.8285850525,-2.6842291118,0.0738781518,0.0738781518,GGA+U,C2/c,AB6C2D_mC40_15_e_3f_f_e:Cr-O-Si-Zn,20.0,AB6C2D_mC40_15_e_3f_f_e:Cr-O-Si-Zn +mp-1041856,ZnCr(SiO3)2,-7.8136236358,-2.6692676950000003,0.0888395685,0.0888395685,GGA+U,Pbca,AB6C2D_oP80_61_c_6c_2c_c:Cr-O-Si-Zn,80.0,"Invalid WP multiplicities - AB6C2D_oP80_61_c_41c_8c_c:Cr-O-Si-Zn, expected ZnCrSi8O41 to be ZnCr(SiO3)2" +mp-1253507,Zn3Cr2(SiO4)3,-7.4382853492,-2.5022081295,0.1322371695,0.1322371695,GGA+U,Ia-3d,A2B12C3D3_cI160_230_a_h_d_c:Cr-O-Si-Zn,80.0,A2B12C3D3_cI160_230_a_h_d_c:Cr-O-Si-Zn +mp-556077,ZnCr6Si2Pb10(O16F)2,-7.013957034,-1.933350772,0.0130811845,0.0130811845,GGA+U,P-1,A6B2C32D10E2F_aP53_2_3i_i_16i_5i_i_a:Cr-F-O-Pb-Si-Zn,53.0,A6B2C32D10E2F_aP53_2_3i_i_16i_5i_i_a:Cr-F-O-Pb-Si-Zn +mp-20006,ZnPb2F6,-4.8753115219000005,-2.6359880158,0.0199509047,0.0199509047,GGA,P4_2/ncm,A6B2C_tP36_138_ab2ei_i_c:F-Pb-Zn,36.0,A6B2C_tP36_138_ab2ei_i_c:F-Pb-Zn +mp-1397660,ZnCrSiO5,-7.5092952181,-2.3753511348,0.0905585277,0.0905585277,GGA+U,P1,AB5CD_aP16_1_2a_10a_2a_2a:Cr-O-Si-Zn,16.0,AB5CD_aP16_1_2a_10a_2a_2a:Cr-O-Si-Zn +mp-1265992,ZnCrSiO5,-7.5131222569,-2.3791781736,0.086731489,0.086731489,GGA+U,P-1,AB5CD_aP16_2_ab_5i_i_i:Cr-O-Si-Zn,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_ab_9i_i_i:Cr-O-Si-Zn, expected ZnCrSiO9 to be ZnCrSiO5" +mp-13610,ZnPbF6,-4.4531912575,-2.3980331969,0.0,-0.0474876213,GGA,R-3,A6BC_hR24_148_f_a_b:F-Pb-Zn,8.0,A6BC_hR24_148_f_a_b:F-Pb-Zn +mp-1262777,Zn3Cr2(Si2O7)2,-7.5534867422,-2.5952154445,0.1218716098,0.1218716098,GGA+U,C2/c,A2B14C4D3_mC92_15_ae_7f_2f_ef:Cr-O-Si-Zn,46.0,"Invalid WP multiplicities - A2B14C4D3_mC92_15_ae_27f_5f_2e2f:Cr-O-Si-Zn, expected Zn3CrSi5O27 to be Zn3Cr2(Si2O7)2" +mp-1043538,ZnCr(Si2O5)2,-8.0036437942,-2.8735843997,0.0757446734,0.0757446734,GGA+U,P4/ncc,AB10C4D_tP64_130_c_f2g_g_b:Cr-O-Si-Zn,64.0,"Invalid WP multiplicities - AB10C4D_tP64_130_c_f5g_g_b:Cr-O-Si-Zn, expected ZnCr(Si2O11)2 to be ZnCr(Si2O5)2" +mp-1179522,SiPb(OF3)2,-5.1241972094,-2.0741755766,0.4677844459,0.4677844459,GGA,C2/c,A6B2CD_mC160_15_12f_2e3f_2f_2f:F-O-Pb-Si,80.0,A6B2CD_mC160_15_12f_2e3f_2f_2f:F-O-Pb-Si +mp-2713355,Na12Mg10Ta2Si3(S5O24)3,-6.7115271706,-2.4126416567,0.0702883575,0.0702883575,GGA,P1,A10B12C72D15E3F2_aP114_1_10a_12a_72a_15a_3a_2a:Mg-Na-O-S-Si-Ta,114.0,A10B12C72D15E3F2_aP114_1_10a_12a_72a_15a_3a_2a:Mg-Na-O-S-Si-Ta +mp-2715618,Na8Mg2Ta2Si5SO24,-7.2716957424,-2.8078889139000003,0.0733837917,0.0733837917,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Mg-Na-O-S-Si-Ta,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Mg-Na-O-S-Si-Ta +mp-2712551,Na9Mg5TaSi3(SO6)6,-6.6718485896,-2.4895593826,0.1007352729,0.1007352729,GGA,Cc,A5B9C36D6E3F_mC240_9_5a_9a_36a_6a_3a_a:Mg-Na-O-S-Si-Ta,120.0,"Invalid WP multiplicities - A5B9C36D6E3F_mC240_9_5a_12a_60a_9a_4a_a:Mg-Na-O-S-Si-Ta, expected Na12Mg5TaSi4(S3O20)3 to be Na9Mg5TaSi3(SO6)6" +mp-2713181,Mg2Ta4Si3(SO6)6,-7.8627928554,-2.5724572178000003,0.0543175558,0.0543175558,GGA,Cc,A2B36C6D3E4_mC204_9_2a_36a_6a_3a_4a:Mg-O-S-Si-Ta,102.0,"Invalid WP multiplicities - A2B36C6D3E4_mC204_9_2a_60a_9a_4a_4a:Mg-O-S-Si-Ta, expected Mg2Ta4Si4(S3O20)3 to be Mg2Ta4Si3(SO6)6" +mp-2713381,Na15MgTa11(SiO4)18,-8.2782845282,-3.1014381596,0.0162688527,0.0162688527,GGA,P1,AB15C72D18E11_aP117_1_a_15a_72a_18a_11a:Mg-Na-O-Si-Ta,117.0,AB15C72D18E11_aP117_1_a_15a_72a_18a_11a:Mg-Na-O-Si-Ta +mp-2716062,Na6Mg4Ta4Si5S7O48,-7.3941263708,-2.5929077243,0.1142985234,0.1142985234,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Mg-Na-O-S-Si-Ta,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Mg-Na-O-S-Si-Ta +mp-2716496,Na2Mg4Ta4Si3(S3O16)3,-7.4606247898,-2.4974484706,0.0569544279,0.0569544279,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Mg-Na-O-S-Si-Ta,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Mg-Na-O-S-Si-Ta +mp-2712731,Na6Mg2Ta4Si6(SO12)3,-7.7516045668,-2.8110980095,0.0883997886,0.0883997886,GGA,P3c1,A2B6C36D3E6F4_hP114_158_ab_abcd_12d_d_2d_ab2c:Mg-Na-O-S-Si-Ta,114.0,A2B6C36D3E6F4_hP114_158_ab_abcd_12d_d_2d_ab2c:Mg-Na-O-S-Si-Ta +mp-2715705,Na3MgTa5Si6(SO12)3,-8.2118732488,-2.8804140735,0.0591404046,0.0591404046,GGA,Cc,AB3C36D3E6F5_mC216_9_a_3a_36a_3a_6a_5a:Mg-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - AB3C36D3E6F5_mC216_9_a_3a_72a_4a_11a_5a:Mg-Na-O-S-Si-Ta, expected Na3MgTa5Si11(SO18)4 to be Na3MgTa5Si6(SO12)3" +mp-2713636,Na18Mg20Ta4Si3(S11O48)3,-6.7412178383,-2.3793072936,0.0326592539,0.0326592539,GGA,P1,A20B18C144D33E3F4_aP222_1_20a_18a_144a_33a_3a_4a:Mg-Na-O-S-Si-Ta,222.0,A20B18C144D33E3F4_aP222_1_20a_18a_144a_33a_3a_4a:Mg-Na-O-S-Si-Ta +mp-2713845,Na18Mg16Ta8Si9(S3O16)9,-7.06367397,-2.4821093744,0.0774770233,0.0774770233,GGA,P1,A16B18C144D27E9F8_aP222_1_16a_18a_144a_27a_9a_8a:Mg-Na-O-S-Si-Ta,222.0,A16B18C144D27E9F8_aP222_1_16a_18a_144a_27a_9a_8a:Mg-Na-O-S-Si-Ta +mp-2712720,NaMgTaSi(SO6)2,-7.4030596898,-2.5231116191,0.1136543455,0.1136543455,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Mg-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_72a_10a_3a_3a:Mg-Na-O-S-Si-Ta, expected Na3Mg3Ta3Si3(S5O36)2 to be NaMgTaSi(SO6)2" +mp-2716214,Na18Mg8Ta4Si9(SO8)9,-6.9563372928,-2.5708680887,0.1447497996,0.1447497996,GGA,P1,A8B18C72D9E9F4_aP120_1_8a_18a_72a_9a_9a_4a:Mg-Na-O-S-Si-Ta,120.0,A8B18C72D9E9F4_aP120_1_8a_18a_72a_9a_9a_4a:Mg-Na-O-S-Si-Ta +mp-2713986,Na18Mg4Ta8Si15(SO24)3,-7.6758176032,-2.883988405,0.0743783898,0.0743783898,GGA,P1,A4B18C72D3E15F8_aP120_1_4a_18a_72a_3a_15a_8a:Mg-Na-O-S-Si-Ta,120.0,A4B18C72D3E15F8_aP120_1_4a_18a_72a_3a_15a_8a:Mg-Na-O-S-Si-Ta +mp-2714783,NaMg3Ta(SO4)6,-6.9264812647,-2.311613512,0.0081605714,0.0081605714,GGA,P3,A3BC24D6E_hP105_143_3a2b4c_a2c_24d_6d_a2b:Mg-Na-O-S-Ta,105.0,A3BC24D6E_hP105_143_3a2b4c_a2c_24d_6d_a2b:Mg-Na-O-S-Ta +mp-2714208,Na6Mg16Ta8Si3(S11O48)3,-7.101599155,-2.3706285468,0.0273551416,0.0273551416,GGA,P1,A16B6C144D33E3F8_aP210_1_16a_6a_144a_33a_3a_8a:Mg-Na-O-S-Si-Ta,210.0,A16B6C144D33E3F8_aP210_1_16a_6a_144a_33a_3a_8a:Mg-Na-O-S-Si-Ta +mp-2715797,Na6Mg4Ta20Si21(S5O48)3,-8.2528725956,-2.8252848546,0.0409073595,0.0409073595,GGA,P1,A4B6C144D15E21F20_aP210_1_4a_6a_144a_15a_21a_20a:Mg-Na-O-S-Si-Ta,210.0,A4B6C144D15E21F20_aP210_1_4a_6a_144a_15a_21a_20a:Mg-Na-O-S-Si-Ta +mp-2714999,Na12Mg2Ta10Si15(SO24)3,-8.1303257075,-2.9759454691,0.0555543858,0.0555543858,GGA,P1,A2B12C72D3E15F10_aP114_1_2a_12a_72a_3a_15a_10a:Mg-Na-O-S-Si-Ta,114.0,A2B12C72D3E15F10_aP114_1_2a_12a_72a_3a_15a_10a:Mg-Na-O-S-Si-Ta +mp-2716218,Na6Mg8Ta16Si15(S7O48)3,-7.8484442289,-2.6530621988,0.0574102083,0.0574102083,GGA,P1,A8B6C144D21E15F16_aP210_1_8a_6a_144a_21a_15a_16a:Mg-Na-O-S-Si-Ta,210.0,A8B6C144D21E15F16_aP210_1_8a_6a_144a_21a_15a_16a:Mg-Na-O-S-Si-Ta +mp-2715179,Na14Mg4Ta4Si9(SO16)3,-7.2965391198,-2.771833573,0.0905410966,0.0905410966,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Mg-Na-O-S-Si-Ta,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Mg-Na-O-S-Si-Ta +mp-2713128,Na6Mg4Ta8Si9(SO8)9,-7.8153369797,-2.7096333567,0.0785268647,0.0785268647,GGA,P1,A4B6C72D9E9F8_aP108_1_4a_6a_72a_9a_9a_8a:Mg-Na-O-S-Si-Ta,108.0,A4B6C72D9E9F8_aP108_1_4a_6a_72a_9a_9a_8a:Mg-Na-O-S-Si-Ta +mp-2714251,Na30Mg8Ta16Si27(SO16)9,-7.7081299156,-2.8438681579,0.0899496393,0.0899496393,GGA,P1,A8B30C144D9E27F16_aP234_1_8a_30a_144a_9a_27a_16a:Mg-Na-O-S-Si-Ta,234.0,A8B30C144D9E27F16_aP234_1_8a_30a_144a_9a_27a_16a:Mg-Na-O-S-Si-Ta +mp-2716369,Na12Mg2Ta4(SiO4)9,-7.6085067521,-2.9511951646,0.0410015679,0.0410015679,GGA,P3c1,A2B12C36D9E4_hP126_158_ab_abc3d_12d_3d_ab2c:Mg-Na-O-Si-Ta,126.0,A2B12C36D9E4_hP126_158_ab_abc3d_12d_3d_ab2c:Mg-Na-O-Si-Ta +mp-2714379,Na42Mg8Ta16Si33(SO48)3,-7.641990179,-2.9190602448,0.0569439157,0.0569439157,GGA,P1,A8B42C144D3E33F16_aP246_1_8a_42a_144a_3a_33a_16a:Mg-Na-O-S-Si-Ta,246.0,A8B42C144D3E33F16_aP246_1_8a_42a_144a_3a_33a_16a:Mg-Na-O-S-Si-Ta +mp-2713965,NaMgTa3Si3(SO8)3,-8.0425477016,-2.7310628161,0.0572694945,0.0572694945,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-S-Si-Ta,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-S-Si-Ta +mp-2715390,Na9MgTa5(SiO4)9,-8.0491966315,-3.0541874362,0.0200144216,0.0200144216,GGA,P1,AB9C36D9E5_aP120_1_2a_18a_72a_18a_10a:Mg-Na-O-Si-Ta,240.0,"Invalid WP multiplicities - AB9C36D9E5_aP120_1_3a_36a_144a_36a_20a:Mg-Na-O-Si-Ta, expected Na36Mg3Ta20(SiO4)36 to be Na9MgTa5(SiO4)9" +mp-2715391,Na9MgTa5(SiO4)9,-8.0483286083,-3.053319413,0.0208824448,0.0208824448,GGA,P1,AB9C36D9E5_aP360_1_6a_54a_216a_54a_30a:Mg-Na-O-Si-Ta,360.0,AB9C36D9E5_aP360_1_6a_54a_216a_54a_30a:Mg-Na-O-Si-Ta +mp-2714480,Na12Mg4Ta2Si6(SO12)3,-6.9460328695,-2.6757308002,0.0946178786,0.0946178786,GGA,Cc,A4B12C36D3E6F2_mC252_9_4a_12a_36a_3a_6a_2a:Mg-Na-O-S-Si-Ta,126.0,"Invalid WP multiplicities - A4B12C36D3E6F2_mC252_9_4a_18a_60a_4a_9a_2a:Mg-Na-O-S-Si-Ta, expected Na18Mg4Ta2Si9(SO15)4 to be Na12Mg4Ta2Si6(SO12)3" +mp-2712984,Na18Mg8Ta16Si21(S5O48)3,-7.7647266348,-2.7438539375,0.1079722758,0.1079722758,GGA,P1,A8B18C144D15E21F16_aP222_1_8a_18a_144a_15a_21a_16a:Mg-Na-O-S-Si-Ta,222.0,A8B18C144D15E21F16_aP222_1_8a_18a_144a_15a_21a_16a:Mg-Na-O-S-Si-Ta +mp-2713549,Na4Mg2Ta2Si3(SO8)3,-7.3466436704,-2.6200107943,0.1445475737,0.1445475737,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Mg-Na-O-S-Si-Ta,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Mg-Na-O-S-Si-Ta +mp-2713242,Na6Mg4Ta2Si3(SO6)6,-7.0511023877,-2.5383431927,0.0854009984,0.0854009984,GGA,P3c1,A4B6C36D6E3F2_hP114_158_ab2c_abcd_12d_2d_d_ab:Mg-Na-O-S-Si-Ta,114.0,A4B6C36D6E3F2_hP114_158_ab2c_abcd_12d_2d_d_ab:Mg-Na-O-S-Si-Ta +mp-2714234,Na7Mg3TaSi3(SO8)3,-6.7936097697,-2.5662408039,0.1247601193,0.1247601193,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Mg-Na-O-S-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Mg-Na-O-S-Si-Ta +mp-2714552,Na6Mg8Ta4Si3(S5O24)3,-7.0876397594,-2.433447241,0.0519244669,0.0519244669,GGA,P1,A8B6C72D15E3F4_aP108_1_8a_6a_72a_15a_3a_4a:Mg-Na-O-S-Si-Ta,108.0,A8B6C72D15E3F4_aP108_1_8a_6a_72a_15a_3a_4a:Mg-Na-O-S-Si-Ta +mp-2715931,Na42Mg20Ta4Si15(S7O48)3,-6.6557426373,-2.5274858652,0.1025353761,0.1025353761,GGA,P1,A20B42C144D21E15F4_aP246_1_20a_42a_144a_21a_15a_4a:Mg-Na-O-S-Si-Ta,246.0,A20B42C144D21E15F4_aP246_1_20a_42a_144a_21a_15a_4a:Mg-Na-O-S-Si-Ta +mp-2715164,Na24Mg10Ta2Si9(SO8)9,-6.6427430439,-2.5659457337,0.0934789183,0.0934789183,GGA,P1,A10B24C72D9E9F2_aP126_1_10a_24a_72a_9a_9a_2a:Mg-Na-O-S-Si-Ta,126.0,A10B24C72D9E9F2_aP126_1_10a_24a_72a_9a_9a_2a:Mg-Na-O-S-Si-Ta +mp-2712953,Na18Mg4Ta20Si27(SO16)9,-8.1756029289,-2.9350761807,0.0586560592,0.0586560592,GGA,P1,A4B18C144D9E27F20_aP222_1_4a_18a_144a_9a_27a_20a:Mg-Na-O-S-Si-Ta,222.0,A4B18C144D9E27F20_aP222_1_4a_18a_144a_9a_27a_20a:Mg-Na-O-S-Si-Ta +mp-2713808,Mg2Ta10Si9(SO8)9,-8.2916849311,-2.7623140028,0.025480546,0.025480546,GGA,P1,A2B72C9D9E10_aP102_1_2a_72a_9a_9a_10a:Mg-O-S-Si-Ta,102.0,A2B72C9D9E10_aP102_1_2a_72a_9a_9a_10a:Mg-O-S-Si-Ta +mp-2715156,Na9Mg11Ta(SO4)18,-6.5870188512,-2.3349353319,0.0032212905,0.0032212905,GGA,P1,A11B9C72D18E_aP111_1_11a_9a_72a_18a_a:Mg-Na-O-S-Ta,111.0,A11B9C72D18E_aP111_1_11a_9a_72a_18a_a:Mg-Na-O-S-Ta +mp-2712875,Na7MgTa3(SiO4)6,-7.8200432177,-2.9980010898,0.0348178161,0.0348178161,GGA,P3,AB7C24D6E3_hP123_143_2ab_2a2b2c5d_24d_6d_2a3b4c:Mg-Na-O-Si-Ta,123.0,AB7C24D6E3_hP123_143_2ab_2a2b2c5d_24d_6d_2a3b4c:Mg-Na-O-Si-Ta +mp-2714027,Na3Mg5Ta(SO4)9,-6.7624144172000005,-2.3339774512,0.0,-0.0085495608,GGA,P3c1,A5B3C36D9E_hP108_158_a2b2c_abc_12d_3d_a:Mg-Na-O-S-Ta,108.0,A5B3C36D9E_hP108_158_a2b2c_abc_12d_3d_a:Mg-Na-O-S-Ta +mp-2716506,Na9Mg5Ta7Si9(SO8)9,-7.5735131279,-2.662467456,0.1170487745,0.1170487745,GGA,P1,A5B9C72D9E9F7_aP111_1_5a_9a_72a_9a_9a_7a:Mg-Na-O-S-Si-Ta,111.0,A5B9C72D9E9F7_aP111_1_5a_9a_72a_9a_9a_7a:Mg-Na-O-S-Si-Ta +mp-2715025,Na30Mg16Ta8Si15(S7O48)3,-7.0175094202,-2.5700271436,0.105165218,0.105165218,GGA,P1,A16B30C144D21E15F8_aP234_1_16a_30a_144a_21a_15a_8a:Mg-Na-O-S-Si-Ta,234.0,A16B30C144D21E15F8_aP234_1_16a_30a_144a_21a_15a_8a:Mg-Na-O-S-Si-Ta +mp-2716025,Na10Mg4Ta4Si7S5O48,-7.3146519615,-2.6587799443,0.146460834,0.146460834,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Mg-Na-O-S-Si-Ta,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Mg-Na-O-S-Si-Ta +mp-2714650,Na30Mg20Ta4Si9(S3O16)9,-6.6972355006,-2.4581429647,0.07984584,0.07984584,GGA,P1,A20B30C144D27E9F4_aP234_1_20a_30a_144a_27a_9a_4a:Mg-Na-O-S-Si-Ta,234.0,A20B30C144D27E9F4_aP234_1_20a_30a_144a_27a_9a_4a:Mg-Na-O-S-Si-Ta +mp-2715535,Na42Mg16Ta8Si21(S5O48)3,-6.9508973872,-2.6244162278000003,0.1240191143,0.1240191143,GGA,P1,A16B42C144D15E21F8_aP246_1_16a_42a_144a_15a_21a_8a:Mg-Na-O-S-Si-Ta,246.0,A16B42C144D15E21F8_aP246_1_16a_42a_144a_15a_21a_8a:Mg-Na-O-S-Si-Ta +mp-2716569,Na15Mg7Ta5Si9(SO8)9,-7.1624145941,-2.6107374472,0.1301946368,0.1301946368,GGA,P1,A7B15C72D9E9F5_aP117_1_7a_15a_72a_9a_9a_5a:Mg-Na-O-S-Si-Ta,117.0,A7B15C72D9E9F5_aP117_1_7a_15a_72a_9a_9a_5a:Mg-Na-O-S-Si-Ta +mp-2713083,Mg2Ta2SiS5O24,-7.4659794035,-2.4146790566,0.0510759419,0.0510759419,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Mg-O-S-Si-Ta,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Mg-O-S-Si-Ta +mp-2716319,Na30Mg4Ta20Si33(SO48)3,-8.0869029932,-3.0142514948,0.0440529211,0.0440529211,GGA,P1,A4B30C144D3E33F20_aP234_1_4a_30a_144a_3a_33a_20a:Mg-Na-O-S-Si-Ta,234.0,A4B30C144D3E33F20_aP234_1_4a_30a_144a_3a_33a_20a:Mg-Na-O-S-Si-Ta +mp-2714546,Na3MgTaSi2SO12,-7.2842038548,-2.6955546537,0.1450715825,0.1450715825,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Mg-Na-O-S-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:Mg-Na-O-S-Si-Ta, expected Na13MgTaSi12SO72 to be Na3MgTaSi2SO12" +mp-2713918,Mg4Ta2(SO4)9,-7.1170002796,-2.3047352234,0.0,-0.0373064229,GGA,P3c1,A4B36C9D2_hP102_158_ab2c_12d_3d_ab:Mg-O-S-Ta,102.0,A4B36C9D2_hP102_158_ab2c_12d_3d_ab:Mg-O-S-Ta +mp-2712996,Na3Nb2Si3Sn2(PO8)3,-7.735100806,-2.7776489047,0.0243826249,0.0243826249,GGA,P1,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Sn,111.0,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Sn +mp-2715645,NaNb2SiSn2P5O24,-7.9007797239,-2.736304332,0.0180179001,0.0180179001,GGA,P1,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Sn,105.0,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Sn +mp-2715108,Na2NbSi2SnPO12,-7.6409241609,-2.7788120249,0.043570506,0.043570506,GGA,Cc,A2BC12DE2F_mC76_9_2a_a_12a_a_2a_a:Na-Nb-O-P-Si-Sn,114.0,"Invalid WP multiplicities - A2BC12DE2F_mC76_9_2a_a_72a_a_12a_a:Na-Nb-O-P-Si-Sn, expected Na2NbSi12SnPO72 to be Na2NbSi2SnPO12" +mp-2715563,NaNbSiSn(PO6)2,-7.8161905172,-2.7581021968,0.0209786146,0.0209786146,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Na-Nb-O-P-Si-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Na-Nb-O-P-Si-Sn, expected NaNbSiSnP3O20 to be NaNbSiSn(PO6)2" +mp-2716328,Na5Nb2Si5Sn2PO24,-7.559707062,-2.7880454726,0.0418759579,0.0418759579,GGA,P1,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Sn,117.0,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Sn +mp-2713799,NaNbSn3(PO4)6,-7.5993265164,-2.6092439447,0.0041996754,0.0041996754,GGA,P3,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Sn,105.0,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Sn +mp-1040416,CsMg30TiO32,-6.2572374045,-2.8964040506,0.138258922,0.138258922,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Cs-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Cs-Mg-O-Ti, expected CsMg110TiO72 to be CsMg30TiO32" +mp-1098350,CsMg30TiO32,-6.2662199634,-2.9053866096,0.1292763631,0.1292763631,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Cs-Mg-O-Ti,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Cs-Mg-O-Ti, expected CsMg90TiO80 to be CsMg30TiO32" +mp-1034204,CsMg14TiO16,-6.1553943719,-2.7072120447,0.3080736012,0.3080736012,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Cs-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Cs-Mg-O-Ti, expected CsMg18TiO20 to be CsMg14TiO16" +mp-1034386,CsMg14TiO16,-6.1480950488,-2.6999127216,0.3153729243,0.3153729243,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Cs-Mg-O-Ti,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Cs-Mg-O-Ti, expected CsMg30TiO32 to be CsMg14TiO16" +mp-677489,CsTiCuOF5,-5.9744738628,-2.9306755731000003,0.0540506121,0.0540506121,GGA,Imma,ABC5DE_oI36_74_e_a_ej_e_c:Cs-Cu-F-O-Ti,18.0,"Invalid WP multiplicities - ABC5DE_oI36_74_e_a_2e2j_e_c:Cs-Cu-F-O-Ti, expected CsTiCuOF10 to be CsTiCuOF5" +mp-2231705,Cs2MgTi2Cu2(OF5)2,-5.9933238847,-3.0255002392,0.1103871706,0.1103871706,GGA,Cm,A2B2C10DE2F2_mC38_8_2a_2a_2a4b_a_2a_b:Cs-Cu-F-Mg-O-Ti,19.0,"Invalid WP multiplicities - A2B2C10DE2F2_mC38_8_2a_2a_2a7b_a_2a_b:Cs-Cu-F-Mg-O-Ti, expected Cs2MgTi2Cu2(OF8)2 to be Cs2MgTi2Cu2(OF5)2" +mp-1195388,Cs2TiCu3F12,-5.1940791803,-2.6984311591,0.0,-0.038652273,GGA,P2_1/c,A2B3C12D_mP36_14_e_ae_6e_b:Cs-Cu-F-Ti,36.0,A2B3C12D_mP36_14_e_ae_6e_b:Cs-Cu-F-Ti +mp-559758,Rb2CaV2O7,-7.3716341602,-2.6415257316,0.0,-0.0225684199,GGA+U,P2_1/c,AB7C2D2_mP48_14_e_7e_2e_2e:Ca-O-Rb-V,48.0,"Invalid WP multiplicities - AB7C2D2_mP48_14_e_23e_4e_6e:Ca-O-Rb-V, expected Rb4CaV6O23 to be Rb2CaV2O7" +mp-1196343,Rb4BaV6O18,-7.6635080043,-2.5123030232,0.0,-0.0045562113,GGA+U,R3c,AB18C4D6_hR174_161_a_6b_ab_2b:Ba-O-Rb-V,58.0,AB18C4D6_hR174_161_a_6b_ab_2b:Ba-O-Rb-V +mp-14871,Li16Ta2N8O,-5.7210836767,-1.0582329642,0.0,-0.0054018589,GGA,R-3,A16B8CD2_hR81_148_2c2f_cf_a_c:Li-N-O-Ta,27.0,"Invalid WP multiplicities - A16B8CD2_hR81_148_2c2f_c2f_a_c:Li-N-O-Ta, expected Li16Ta2N14O to be Li16Ta2N8O" +mp-1020627,SrLiAl3N4,-6.6724680033,-1.3190098356,0.0,-0.0111091062,GGA,P-1,A3BC4D_aP36_2_6i_2i_8i_2i:Al-Li-N-Sr,36.0,A3BC4D_aP36_2_6i_2i_8i_2i:Al-Li-N-Sr +mp-1105475,Ta4AlN3,-10.3747623675,-0.8514909769000001,0.3221537956,0.3221537956,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-N-Ta,16.0,AB3C4_hP16_194_c_af_ef:Al-N-Ta +mp-1188888,Ta4AlN3,-10.5116017719,-0.9883303812,0.1853143912,0.1853143912,GGA,P6_3/mmc,AB3C4_hP16_194_c_ae_2f:Al-N-Ta,16.0,AB3C4_hP16_194_c_ae_2f:Al-N-Ta +mp-1203018,Sr4Li2Ta2Al2N8O,-7.4663242987,-1.4967887946,0.0061304812,0.0061304812,GGA,P2_1/c,A2B2C8DE4F2_mP38_14_e_e_4e_a_2e_e:Al-Li-N-O-Sr-Ta,38.0,A2B2C8DE4F2_mP38_14_e_e_4e_a_2e_e:Al-Li-N-O-Sr-Ta +mp-1235451,Sr2LiTa2(NO2)2,-8.3098049409,-2.3586040565,0.2346953344,0.2346953344,GGA,C2/m,AB2C4D2E2_mC22_12_a_g_hi_i_e:Li-N-O-Sr-Ta,11.0,"Invalid WP multiplicities - AB2C4D2E2_mC22_12_a_g_2h2i_i_f:Li-N-O-Sr-Ta, expected Sr2LiTa2(NO4)2 to be Sr2LiTa2(NO2)2" +mp-1236433,Sr2LiTa2(NO2)2,-8.2432219455,-2.2920210611,0.3012783298,0.3012783298,GGA,Fmm2,AB2C4D2E2_oF44_42_a_b_2ac_d_c:Li-N-O-Sr-Ta,11.0,"Invalid WP multiplicities - AB2C4D2E2_oF44_42_a_b_2a2c_d_c:Li-N-O-Sr-Ta, expected Sr2LiTa2(NO3)2 to be Sr2LiTa2(NO2)2" +mp-2712683,Na2MgTi3Si2(SO6)4,-7.4492097658,-2.6145216746,0.0488940755,0.0488940755,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Ti,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Ti +mp-2714467,Na6MgTi3Si4(SO12)2,-7.3322631632,-2.7843479436000003,0.0887350856,0.0887350856,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Ti,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Ti +mp-2716101,Na14Mg6Ti2Si5S7O48,-6.6490956696,-2.5340857209000003,0.1084093065,0.1084093065,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Ti,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Ti +mp-2716402,Na2Mg2Ti6Si3(S3O16)3,-7.4707924833,-2.5541692859,0.031597308,0.031597308,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Ti,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Ti +mp-2715152,Na10Mg4Ti4Si5S7O48,-7.0039960974,-2.5843661159,0.117699098,0.117699098,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Ti,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Ti +mp-2716341,Na10Mg3Ti5Si6(SO8)6,-7.181682608,-2.66482083,0.1092975312,0.1092975312,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Ti,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Ti +mp-2714646,Na14Mg2Ti6Si9(SO16)3,-7.308141214,-2.8231761369,0.0738390288,0.0738390288,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Ti,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Ti +mp-2714539,Na4MgTiSi2SO12,-6.9538514265,-2.7094122026000003,0.0845258589,0.0845258589,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Mg-Na-O-S-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Mg-Na-O-S-Si-Ti, expected Na14MgTiSi7SO60 to be Na4MgTiSi2SO12" +mp-2716140,Na6Mg2Ti2Si3(SO8)3,-6.9787926928,-2.6204794765,0.1207096732,0.1207096732,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Ti,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Ti +mp-2714037,Na2Mg3Ti(SO4)6,-6.7579980406,-2.3446477343,0.0,-0.0011320137,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Ti,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Ti +mp-2713230,Na6Mg6Ti2SiS11O48,-6.7483293977,-2.4010977652,0.0226022028,0.0226022028,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Ti,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Ti +mp-2715623,Na8MgTi3Si5SO24,-7.2858537704,-2.8608412101000003,0.0558155697,0.0558155697,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Ti,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Ti +mp-2714718,Na6MgTi7Si6(SO8)6,-7.6058665667,-2.7461970876,0.067539171,0.067539171,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Ti,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Ti +mp-2714178,Na14Mg5Ti3Si6(SO8)6,-6.8056127858,-2.5981140549,0.1087194502,0.1087194502,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Ti,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Ti +mp-2712827,MgTi3SiS5O24,-7.4897791137,-2.486401098,0.0125005035,0.0125005035,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Ti,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Ti +mp-2712530,Na6Mg3TiSi2(SO6)4,-6.6761741777,-2.5074629645,0.0959322065,0.0959322065,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Ti,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Ti +mp-2714795,Na10Mg6Ti2Si3(S3O16)3,-6.6990844815,-2.4739180931,0.0775071377,0.0775071377,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Ti,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Ti +mp-2713589,Na4MgTi3Si3(SO8)3,-7.3856548515,-2.7018998506000003,0.1030274832,0.1030274832,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Ti,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Ti +mp-2714002,Na6Mg4Ti4Si3(S3O16)3,-7.0732969223,-2.5210901513,0.0600791504,0.0600791504,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Ti,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Ti +mp-2714978,Na6Mg7Ti(SO4)12,-6.5897093643,-2.3449653012,0.0,-0.0016177302,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Ti,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Ti +mp-2715016,Na8Mg3TiSi3(SO8)3,-6.6381550633,-2.5742891758,0.0969301675,0.0969301675,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Ti,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Ti +mp-2713493,Na4Mg3TiSiS5O24,-6.7252782112,-2.4406853224,0.0557010137,0.0557010137,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Ti,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Ti +mp-2713623,Na2MgTiSi(SO6)2,-7.0302104483,-2.5460365035,0.1046203315,0.1046203315,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Mg-Na-O-S-Si-Ti,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Mg-Na-O-S-Si-Ti, expected Na2MgTiSiS3O20 to be Na2MgTiSi(SO6)2" +mp-2714656,Na2Mg5Ti3(SO4)12,-6.9335744986000005,-2.3419833068,0.0,-0.0059310773,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Ti,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Ti +mp-2715928,Na10Mg2Ti6Si7S5O48,-7.362336618,-2.7482430434,0.0963763275,0.0963763275,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Ti,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Ti +mp-2714609,Na2Mg2Ti2SiS5O24,-7.0956231236,-2.4716039249,0.0335288747,0.0335288747,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Ti,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Ti +mp-2715948,Na6Mg2Ti6Si5S7O48,-7.406112976,-2.6489310663,0.0879365883,0.0879365883,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Ti,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Ti +mp-2715560,Na14Mg4Ti4Si7S5O48,-6.988318172,-2.688330659,0.082841324,0.082841324,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Ti,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Ti +mp-2714088,Na2Mg4Ti4SiS11O48,-7.1102865855,-2.4103513918,0.0128930107,0.0128930107,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Ti,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Ti +mp-1017558,Er3AlN,-6.17193694,-1.014891503,0.0,-0.0562018025,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Al-Er-N,5.0,AB3C_cP5_221_a_c_b:Al-Er-N +mp-1214427,BaErAl3SiN4O3,-7.848820915,-2.3615297532,0.0225193884,0.0225193884,GGA,P6_3mc,A3BCD4E3F_hP26_186_c_b_b_ac_c_a:Al-Ba-Er-N-O-Si,26.0,A3BCD4E3F_hP26_186_c_b_b_ac_c_a:Al-Ba-Er-N-O-Si +mp-1225896,Er6Si11N20O,-8.4600566111,-1.6505461268,0.0,-0.0454537202,GGA,P31c,A6B20CD11_hP76_159_2c_ab6c_b_ab3c:Er-N-O-Si,76.0,A6B20CD11_hP76_159_2c_ab6c_b_ab3c:Er-N-O-Si +mp-1195598,BaEr4Si5O17,-8.5197112498,-3.6526687157,0.0,-0.0005105785,GGA,P2_1/m,AB4C17D5_mP54_11_e_2f_a2e7f_e2f:Ba-Er-O-Si,54.0,AB4C17D5_mP54_11_e_2f_a2e7f_e2f:Ba-Er-O-Si +mp-1195744,BaEr2Si3O10,-8.4180800272,-3.618251667,0.0,-0.0043160972,GGA,P2_1/m,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Er-O-Si,32.0,AB2C10D3_mP32_11_e_f_2e4f_ef:Ba-Er-O-Si +mp-2714300,Na5Hf2Sc2SiP5O24,-8.0175245668,-3.1353629676,0.0163583462,0.0163583462,GGA,P1,A2B5C24D5E2F_aP117_1_6a_15a_72a_15a_6a_3a:Hf-Na-O-P-Sc-Si,117.0,A2B5C24D5E2F_aP117_1_6a_15a_72a_15a_6a_3a:Hf-Na-O-P-Sc-Si +mp-1224346,Hf3ScSi4,-8.017553665,-0.7793901256,0.0078649981,0.0078649981,GGA,Pm,A3BC4_mP8_6_a2b_a_2a2b:Hf-Sc-Si,8.0,A3BC4_mP8_6_a2b_a_2a2b:Hf-Sc-Si +mp-1224342,HfSc3Si8,-6.5302312933,-0.5004695779,0.0306672696,0.0306672696,GGA,Pmm2,AB3C8_oP12_25_a_bcd_2a2b2c2d:Hf-Sc-Si,12.0,AB3C8_oP12_25_a_bcd_2a2b2c2d:Hf-Sc-Si +mp-1224451,Hf5Sc5Si6,-7.8287792625,-0.7037668341000001,0.04259236,0.04259236,GGA,Amm2,A5B5C6_oC32_38_af_bde_abde:Hf-Sc-Si,16.0,A5B5C6_oC32_38_af_bde_abde:Hf-Sc-Si +mp-1200760,Hf2Sc3Si4,-7.4883293578,-0.7535451917,0.0273720764,0.0273720764,GGA,P4_12_12,A2B3C4_tP36_92_b_ab_2b:Hf-Sc-Si,36.0,A2B3C4_tP36_92_b_ab_2b:Hf-Sc-Si +mp-1224306,HfScSi2,-7.5650013975,-0.7799278488,0.0120523487,0.0120523487,GGA,Amm2,ABC2_oC8_38_a_b_ab:Hf-Sc-Si,4.0,ABC2_oC8_38_a_b_ab:Hf-Sc-Si +mp-2713195,Na5HfSc3(PO4)6,-7.8904753807,-3.1015634083,0.0152062786,0.0152062786,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-P-Sc,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-P-Sc +mp-2714639,Na7Hf2Sc2Si3(PO8)3,-7.8275783664,-3.1184714395,0.0151635217,0.0151635217,GGA,P1,A2B7C24D3E2F3_aP123_1_6a_21a_72a_9a_6a_9a:Hf-Na-O-P-Sc-Si,123.0,A2B7C24D3E2F3_aP123_1_6a_21a_72a_9a_6a_9a:Hf-Na-O-P-Sc-Si +mp-2715377,Na3HfScSi(PO6)2,-7.9180178211,-3.1245467414,0.0197210932,0.0197210932,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Hf-Na-O-P-Sc-Si,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Hf-Na-O-P-Sc-Si, expected Na3HfScSi(PO15)2 to be Na3HfScSi(PO6)2" +mp-2715409,Na3HfScSi(PO6)2,-7.9181862267,-3.124715147,0.0195526876,0.0195526876,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Hf-Na-O-P-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Hf-Na-O-P-Sc-Si, expected Na14Hf3Sc3Si3(P5O36)2 to be Na3HfScSi(PO6)2" +mp-2713637,Na2HfSc(PO4)3,-8.1188953412,-3.1433753003,0.016191781,0.016191781,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Hf-Na-O-P-Sc,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Hf-Na-O-P-Sc, expected Na2HfSc(PO4)18 to be Na2HfSc(PO4)3" +mp-2716438,Na3Hf3Sc(PO4)6,-8.3652726789,-3.1930576469,0.0116202016,0.0116202016,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Hf-Na-O-P-Sc,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Hf-Na-O-P-Sc +mp-1220764,NaHfScO4,-8.8946530496,-3.551947582,0.0,-0.002401115,GGA,Pmc2_1,ABC4D_oP28_26_2a_ab_4a4b_2b:Hf-Na-O-Sc,28.0,ABC4D_oP28_26_2a_ab_4a4b_2b:Hf-Na-O-Sc +mp-685490,Hf3Sc4O12,-10.0043585974,-3.9747950161,0.0189362103,0.0189362103,GGA,P1,A3B12C4_aP95_1_15a_60a_20a:Hf-O-Sc,95.0,A3B12C4_aP95_1_15a_60a_20a:Hf-O-Sc +mp-531956,Hf3Sc4O12,-10.0070507005,-3.9774871192,0.0162441071,0.0162441071,GGA,P1,A3B12C4_aP57_1_9a_36a_12a:Hf-O-Sc,57.0,A3B12C4_aP57_1_9a_36a_12a:Hf-O-Sc +mp-766090,Hf3Sc4O12,-10.0072837874,-3.9777202061,0.0160110203,0.0160110203,GGA,P-1,A3B12C4_aP38_2_3i_12i_4i:Hf-O-Sc,38.0,"Invalid WP multiplicities - A3B12C4_aP38_2_5i_24i_7i:Hf-O-Sc, expected Hf5Sc7O24 to be Hf3Sc4O12" +mp-1224366,Hf5ScSi4,-8.528540349,-0.7465717115,0.0207073798,0.0207073798,GGA,P4/m,A5BC4_tP10_83_ak_c_j:Hf-Sc-Si,10.0,A5BC4_tP10_83_ak_c_j:Hf-Sc-Si +mp-2715521,Na4HfScSi2PO12,-7.7283434843,-3.0995833695,0.0186579207,0.0186579207,GGA,Cc,AB4C12DEF2_mC84_9_a_4a_12a_a_a_2a:Hf-Na-O-P-Sc-Si,126.0,"Invalid WP multiplicities - AB4C12DEF2_mC84_9_a_19a_72a_a_a_12a:Hf-Na-O-P-Sc-Si, expected Na19HfScSi12PO72 to be Na4HfScSi2PO12" +mp-2715470,Na3LaGa(PO4)3,-7.1565759427,-2.7799833896,0.0828014657,0.0828014657,GGA,P1,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Ga-La-Na-O-P,80.0,ABC3D12E3_aP80_1_4a_4a_12a_48a_12a:Ga-La-Na-O-P +mp-2715279,Na3LaGa(PO4)3,-7.1601721039,-2.7835795508,0.0792053045,0.0792053045,GGA,P1,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Ga-La-Na-O-P,120.0,ABC3D12E3_aP120_1_6a_6a_18a_72a_18a:Ga-La-Na-O-P +mp-2715683,Na7La2Ga2SiP5O24,-7.0887811306,-2.7863849612,0.0840253127,0.0840253127,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-La-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ga-La-Na-O-P-Si +mp-2714466,Na4LaGaSi(PO6)2,-7.0001504958,-2.7684175491,0.1092550283,0.1092550283,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ga-La-Na-O-P-Si,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ga-La-Na-O-P-Si +mp-2713602,Na4CaHf3(PO4)6,-8.0762895772,-3.1192471495,0.017465568,0.017465568,GGA,P1,AB3C4D24E6_aP114_1_3a_9a_12a_72a_18a:Ca-Hf-Na-O-P,114.0,AB3C4D24E6_aP114_1_3a_9a_12a_72a_18a:Ca-Hf-Na-O-P +mp-2715718,Na8CaHf3Si4(PO12)2,-7.6939261779,-3.0818839035,0.02374507,0.02374507,GGA,P1,AB3C8D24E2F4_aP126_1_3a_9a_24a_72a_6a_12a:Ca-Hf-Na-O-P-Si,126.0,AB3C8D24E2F4_aP126_1_3a_9a_24a_72a_6a_12a:Ca-Hf-Na-O-P-Si +mp-2714339,Na4CaHfSi(PO6)2,-7.3919586113,-2.9698120560000003,0.0530273119,0.0530273119,GGA,Cc,ABC4D12E2F_mC252_9_3a_3a_12a_36a_6a_3a:Ca-Hf-Na-O-P-Si,126.0,"Invalid WP multiplicities - ABC4D12E2F_mC252_9_3a_3a_18a_60a_9a_3a:Ca-Hf-Na-O-P-Si, expected Na6CaHfSiP3O20 to be Na4CaHfSi(PO6)2" +mp-2714863,Na6CaHf7(PO4)12,-8.3463655785,-3.1836390505,0.0093027732,0.0093027732,GGA,P1,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ca-Hf-Na-O-P,222.0,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Ca-Hf-Na-O-P +mp-2713141,Na10Ca3Hf5(PO4)12,-7.8152760144,-3.0533697843,0.0299973708,0.0299973708,GGA,P1,A3B5C10D48E12_aP234_1_9a_15a_30a_144a_36a:Ca-Hf-Na-O-P,234.0,A3B5C10D48E12_aP234_1_9a_15a_30a_144a_36a:Ca-Hf-Na-O-P +mp-2714051,Na14Ca5Hf3(PO4)12,-7.3645215307,-2.9643311793,0.0201515187,0.0201515187,GGA,P1,A5B3C14D48E12_aP246_1_15a_9a_42a_144a_36a:Ca-Hf-Na-O-P,246.0,A5B3C14D48E12_aP246_1_15a_9a_42a_144a_36a:Ca-Hf-Na-O-P +mp-2715399,Na3CaHf(PO4)3,-7.567414721,-2.9908878787,0.0418009921,0.0418009921,GGA,Cc,ABC3D12E3_mC80_9_a_a_3a_12a_3a:Ca-Hf-Na-O-P,80.0,"Invalid WP multiplicities - ABC3D12E3_mC80_9_a_a_3a_30a_6a:Ca-Hf-Na-O-P, expected Na3CaHf(PO5)6 to be Na3CaHf(PO4)3" +mp-2715493,Na3CaHf(PO4)3,-7.568474326,-2.9919474837,0.0407413871,0.0407413871,GGA,Cc,ABC3D12E3_mC240_9_3a_3a_9a_36a_9a:Ca-Hf-Na-O-P,120.0,"Invalid WP multiplicities - ABC3D12E3_mC240_9_3a_3a_14a_72a_18a:Ca-Hf-Na-O-P, expected Na14Ca3Hf3(PO4)18 to be Na3CaHf(PO4)3" +mp-2715640,Na7Ca2Hf2SiP5O24,-7.4809414555,-2.9834874432,0.044832971,0.044832971,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Hf-Na-O-P-Si,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Hf-Na-O-P-Si +mp-2714940,Na7CaHf3Si3(PO8)3,-7.7796873429,-3.0877060087,0.0276134271,0.0276134271,GGA,P1,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Hf-Na-O-P-Si,123.0,AB3C7D24E3F3_aP123_1_3a_9a_21a_72a_9a_9a:Ca-Hf-Na-O-P-Si +mp-2716117,Na5CaHf3SiP5O24,-7.9713311878,-3.1071734167,0.0222795425,0.0222795425,GGA,P1,AB3C5D24E5F_aP117_1_3a_9a_15a_72a_15a_3a:Ca-Hf-Na-O-P-Si,117.0,AB3C5D24E5F_aP117_1_3a_9a_15a_72a_15a_3a:Ca-Hf-Na-O-P-Si +mp-2714953,Na8Ca3Hf(PO4)6,-7.1504757852,-2.9182249488,0.0203471084,0.0203471084,GGA,P3,A3BC8D24E6_hP126_143_2a3b4c_2ab_2a2b2c6d_24d_6d:Ca-Hf-Na-O-P,126.0,A3BC8D24E6_hP126_143_2a3b4c_2ab_2a2b2c6d_24d_6d:Ca-Hf-Na-O-P +mp-2715462,Na6CaHf3Si2(PO6)4,-7.8769982923,-3.1010809451,0.0214752439,0.0214752439,GGA,P1,AB3C6D24E4F2_aP40_1_a_3a_6a_24a_4a_2a:Ca-Hf-Na-O-P-Si,80.0,"Invalid WP multiplicities - AB3C6D24E4F2_aP40_1_a_6a_12a_48a_8a_4a:Ca-Hf-Na-O-P-Si, expected Na12CaHf6Si4(PO6)8 to be Na6CaHf3Si2(PO6)4" +mp-2715307,Na6CaHf3Si2(PO6)4,-7.8777612753,-3.1018439281,0.0207122608,0.0207122608,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ca-Hf-Na-O-P-Si,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ca-Hf-Na-O-P-Si +mp-2713601,Na3ZrSi2SnPO12,-7.4652125211,-2.8577599478,0.0328988482,0.0328988482,GGA,P1,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Sn-Zr,80.0,A3B12CD2EF_aP80_1_12a_48a_4a_8a_4a_4a:Na-O-P-Si-Sn-Zr +mp-2713309,Na3ZrSi2SnPO12,-7.4648006202,-2.8573480468,0.0333107492,0.0333107492,GGA,P1,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Sn-Zr,120.0,A3B12CD2EF_aP120_1_18a_72a_6a_12a_6a_6a:Na-O-P-Si-Sn-Zr +mp-1188507,Zr5Sn3P,-7.526199705,-0.8394751248000001,0.0,-0.0691536607,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:P-Sn-Zr,18.0,AB3C5_hP18_193_b_g_dg:P-Sn-Zr +mp-2714225,Na5Zr2Si3Sn2(PO8)3,-7.5395157984,-2.8481424108,0.0410724495,0.0410724495,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Zr,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Zr +mp-2713512,NaZrSn(PO4)3,-7.8143210586,-2.8432116234,0.0071881782,0.0071881782,GGA,P3,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Sn-Zr,108.0,AB12C3DE_hP108_143_2a2b2c_24d_6d_2a2b2c_2a2b2c:Na-O-P-Sn-Zr +mp-2714389,Na7Zr2Si5Sn2PO24,-7.3863593479,-2.8587338905,0.0276945416,0.0276945416,GGA,P1,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Zr,123.0,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Sn-Zr +mp-2712998,Na3Zr2SiSn2P5O24,-7.7215608541,-2.8487370572,0.0226859222,0.0226859222,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Zr,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Zr +mp-2712558,Na2ZrSiSn(PO6)2,-7.6286972904,-2.8489862036,0.0369601453,0.0369601453,GGA,P1,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Sn-Zr,114.0,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-Si-Sn-Zr +mp-1209017,SrPr12Al12Si18(N2O)18,-7.52897655,-1.4380774663,0.7019380739000001,0.7019380739000001,GGA,I-43m,A12B36C18D12E18F_cI194_217_g_3g_dg_g_eg_a:Al-N-O-Pr-Si-Sr,97.0,A12B36C18D12E18F_cI194_217_g_3g_dg_g_eg_a:Al-N-O-Pr-Si-Sr +mp-1218014,SrPrAl3O7,-7.9136788417,-3.5525165352,0.0,-0.0093921135,GGA,Cmm2,A3B7CD_oC48_35_cde_abde2f_d_e:Al-O-Pr-Sr,24.0,"Invalid WP multiplicities - A3B7CD_oC48_35_c2d2e_ab2d2e7f_d_e:Al-O-Pr-Sr, expected SrPrAl5O19 to be SrPrAl3O7" +mp-1217963,SrPrAlO4,-7.7947242157,-3.5086199467,0.0062746906,0.0062746906,GGA,I4mm,AB4CD_tI14_107_a_2ab_a_a:Al-O-Pr-Sr,7.0,AB4CD_tI14_107_a_2ab_a_a:Al-O-Pr-Sr +mp-534935,Sr3Pr10Al12Si18(N2O)18,-8.1322166993,-2.1050580754,0.0325187812,0.0325187812,GGA,Cm,A12B36C18D10E18F3_mC194_8_2a5b_6a15b_2a8b_2a4b_4a7b_ab:Al-N-O-Pr-Si-Sr,97.0,"Invalid WP multiplicities - A12B36C18D10E18F3_mC194_8_2a10b_6a30b_2a15b_2a7b_4a12b_ab:Al-N-O-Pr-Si-Sr, expected Sr3Pr16Al22Si28(N33O16)2 to be Sr3Pr10Al12Si18(N2O)18" +mp-2713974,Na6Hf2Ti2Si5SO24,-7.872653465,-3.0320513915,0.0493619742,0.0493619742,GGA,P1,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Ti,120.0,A2B6C24DE5F2_aP120_1_6a_18a_72a_3a_15a_6a:Hf-Na-O-S-Si-Ti +mp-2713805,Na2Hf2Ti2Si3(SO8)3,-8.0348473038,-2.8749515971,0.0350953023,0.0350953023,GGA,P1,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Ti,108.0,A2B2C24D3E3F2_aP108_1_6a_6a_72a_9a_9a_6a:Hf-Na-O-S-Si-Ti +mp-2714456,Na14Hf4Ti4Si11SO48,-7.8421398547,-3.0716266275,0.0273082101,0.0273082101,GGA,P1,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Ti,246.0,A4B14C48DE11F4_aP246_1_12a_42a_144a_3a_33a_12a:Hf-Na-O-S-Si-Ti +mp-2712682,Na2HfTiSi2SO12,-7.9470308726,-2.9551844466,0.0832601542,0.0832601542,GGA,P1,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Ti,114.0,AB2C12DE2F_aP114_1_6a_12a_72a_6a_12a_6a:Hf-Na-O-S-Si-Ti +mp-2714065,Na10Hf4Ti4Si9(SO16)3,-7.9080631362,-2.9937779166,0.0692154403,0.0692154403,GGA,P1,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Ti,234.0,A4B10C48D3E9F4_aP234_1_12a_30a_144a_9a_27a_12a:Hf-Na-O-S-Si-Ti +mp-2716234,Na2Hf4Ti4Si5S7O48,-8.0660728844,-2.8149504254,0.0252441863,0.0252441863,GGA,P1,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Ti,210.0,A4B2C48D7E5F4_aP210_1_12a_6a_144a_21a_15a_12a:Hf-Na-O-S-Si-Ti +mp-2713426,HfTiSi(SO6)2,-8.1029935408,-2.7552780499,0.010955316,0.010955316,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Ti,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-S-Si-Ti +mp-2712849,Na6Hf4Ti4Si7S5O48,-7.9881715008,-2.9145713707,0.0614094835,0.0614094835,GGA,P1,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Ti,222.0,A4B6C48D5E7F4_aP222_1_12a_18a_144a_15a_21a_12a:Hf-Na-O-S-Si-Ti +mp-2716531,Na10Hf4Ta4Si11SO48,-8.289920349700001,-3.1393930944,0.0212103101,0.0212103101,GGA,P1,A4B10C48DE11F4_aP234_1_12a_30a_144a_3a_33a_12a:Hf-Na-O-S-Si-Ta,234.0,A4B10C48DE11F4_aP234_1_12a_30a_144a_3a_33a_12a:Hf-Na-O-S-Si-Ta +mp-2715650,NaHfTaSi2SO12,-8.4195243936,-3.003699815,0.0409730369,0.0409730369,GGA,Cc,ABC12DE2F_mC72_9_a_a_12a_a_2a_a:Hf-Na-O-S-Si-Ta,108.0,"Invalid WP multiplicities - ABC12DE2F_mC72_9_a_a_60a_a_7a_a:Hf-Na-O-S-Si-Ta, expected NaHfTaSi7SO60 to be NaHfTaSi2SO12" +mp-2713757,Hf2Ta2Si3(SO8)3,-8.4955674762,-2.8768684738,0.0283460059,0.0283460059,GGA,P1,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Hf-O-S-Si-Ta,102.0,A2B24C3D3E2_aP102_1_6a_72a_9a_9a_6a:Hf-O-S-Si-Ta +mp-2715178,Na4Hf2Ta2Si5SO24,-8.3341947366,-3.0998893792,0.0438932278,0.0438932278,GGA,P1,A2B4C24DE5F2_aP114_1_6a_12a_72a_3a_15a_6a:Hf-Na-O-S-Si-Ta,114.0,A2B4C24DE5F2_aP114_1_6a_12a_72a_3a_15a_6a:Hf-Na-O-S-Si-Ta +mp-2715674,Na2Hf4Ta4Si7S5O48,-8.4625336052,-2.9481700207,0.0304969992,0.0304969992,GGA,P1,A4B2C48D5E7F4_aP210_1_12a_6a_144a_15a_21a_12a:Hf-Na-O-S-Si-Ta,210.0,A4B2C48D5E7F4_aP210_1_12a_6a_144a_15a_21a_12a:Hf-Na-O-S-Si-Ta +mp-2713095,Na6Hf4Ta4Si9(SO16)3,-8.3754409773,-3.0528289717,0.0542818292,0.0542818292,GGA,P1,A4B6C48D3E9F4_aP222_1_12a_18a_144a_9a_27a_12a:Hf-Na-O-S-Si-Ta,222.0,A4B6C48D3E9F4_aP222_1_12a_18a_144a_9a_27a_12a:Hf-Na-O-S-Si-Ta +mp-2713832,NaHf3TaSi3(SO8)3,-8.3665044258,-2.9248557751,0.030903086,0.030903086,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Hf-Na-O-S-Si-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Hf-Na-O-S-Si-Ta +mp-2713383,NaZrGe(PO4)3,-7.8059422503,-2.8007519262,0.0237863708,0.0237863708,GGA,P3,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Zr,108.0,ABC12D3E_hP108_143_2a2b2c_2a2b2c_24d_6d_2a2b2c:Ge-Na-O-P-Zr +mp-2713664,Na3ZrSi2GePO12,-7.4690957945,-2.8309704211,0.0646735939,0.0646735939,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Zr,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ge-Na-O-P-Si-Zr +mp-2713719,Na3ZrSi2GePO12,-7.4673915702,-2.8292661969,0.0663778182,0.0663778182,GGA,P1,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Zr,80.0,AB3C12DE2F_aP80_1_4a_12a_48a_4a_8a_4a:Ge-Na-O-P-Si-Zr +mp-2714102,Na5Zr2Si3Ge2(PO8)3,-7.5323768874,-2.8095442177,0.0832688435,0.0832688435,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Zr,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ge-Na-O-P-Si-Zr +mp-2714347,Na7Zr2Si5Ge2PO24,-7.3964794992,-2.8389293589,0.0541896486,0.0541896486,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Zr,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:Ge-Na-O-P-Si-Zr +mp-2716573,Na4ZrSi3GeO12,-7.3197727437,-2.8389609207,0.0441738675,0.0441738675,GGA,P3,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Zr,126.0,AB4C12D3E_hP126_143_2a3bc_2a2b2c6d_24d_6d_2ab3c:Ge-Na-O-Si-Zr +mp-2712729,Na2ZrSiGe(PO6)2,-7.6280639108,-2.816065666,0.0735735732,0.0735735732,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Zr,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ge-Na-O-P-Si-Zr +mp-2713029,Na3Zr2SiGe2P5O24,-7.7206362346,-2.814652654,0.0440422153,0.0440422153,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-Si-Zr +mp-1221057,NaEuTiNbO6F,-8.7788159755,-3.2180945768,0.0139737064,0.0139737064,GGA,Imma,ABCDE6F_oI44_74_a_e_c_b_2ej_d:Eu-F-Na-Nb-O-Ti,22.0,"Invalid WP multiplicities - ABCDE6F_oI44_74_a_e_c_b_4e2j_d:Eu-F-Na-Nb-O-Ti, expected NaEuTiNbO12F to be NaEuTiNbO6F" +mp-43048,NaEuTiNbO6F,-8.782190245,-3.2214688464,0.0105994368,0.0105994368,GGA,P4_322,ABCDE6F_tP44_95_a_c_b_b_2c2d_a:Eu-F-Na-Nb-O-Ti,44.0,"Invalid WP multiplicities - ABCDE6F_tP44_95_a_c_b_b_6c8d_a:Eu-F-Na-Nb-O-Ti, expected NaEuTiNbO22F to be NaEuTiNbO6F" +mp-1221380,Na3EuTi2Nb2O12,-8.545088314000001,-3.0661664976,0.0,-0.0190195871,GGA,P1,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Eu-Na-Nb-O-Ti,20.0,AB3C2D12E2_aP20_1_a_3a_2a_12a_2a:Eu-Na-Nb-O-Ti +mp-1173802,Na3EuTi2Nb2O12,-8.5170197152,-3.0380978988,0.0280685988,0.0090490116,GGA,Pmc2_1,AB3C2D12E2_oP40_26_a_bc_c_ab5c_c:Eu-Na-Nb-O-Ti,40.0,"Invalid WP multiplicities - AB3C2D12E2_oP40_26_a_bc_c_2a2b14c_c:Eu-Na-Nb-O-Ti, expected Na3EuTi2Nb2O32 to be Na3EuTi2Nb2O12" +mp-694917,Na4CaFe4(PO4)6,-6.64771412,-1.7149928379,0.8250304059,0.8250304059,GGA+U,C2,AB4C4D24E6_mC78_5_a_2c_2bc_12c_ab2c:Ca-Fe-Na-O-P,39.0,"Invalid WP multiplicities - AB4C4D24E6_mC78_5_a_2c_2b2c_22c_ab4c:Ca-Fe-Na-O-P, expected Na6CaFe4(P5O22)2 to be Na4CaFe4(PO4)6" +mp-1173772,Na4CaFe4(PO4)6,-7.4684338644,-2.5357125822,0.0043106615,0.0043106615,GGA+U,C2,AB4C4D24E6_mC78_5_a_2c_2bc_12c_ab2c:Ca-Fe-Na-O-P,39.0,AB4C4D24E6_mC78_5_a_2c_2bc_12c_ab2c:Ca-Fe-Na-O-P +mp-556232,Na2CaMg(PO4)2,-7.0024830071,-2.9559797771,0.0,-0.0001242226,GGA,P2_1/c,ABC2D8E2_mP56_14_e_e_2e_8e_2e:Ca-Mg-Na-O-P,56.0,"Invalid WP multiplicities - ABC2D8E2_mP56_14_e_e_4e_27e_6e:Ca-Mg-Na-O-P, expected Na4CaMg(P2O9)3 to be Na2CaMg(PO4)2" +mp-1221180,Na5Ca2Fe3(PO4)6,-7.3305652488,-2.6497093996,0.0016755689,0.0016755689,GGA+U,P1,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Ca-Fe-Na-O-P,40.0,A2B3C5D24E6_aP40_1_2a_3a_5a_24a_6a:Ca-Fe-Na-O-P +mp-1173809,Na5Mg4Fe8(PO4)12,-7.5271282973,-2.5508347315,0.006410799,0.006410799,GGA+U,C2,A8B4C5D48E12_mC154_5_4c_abc_a2c_24c_ab5c:Fe-Mg-Na-O-P,77.0,"Invalid WP multiplicities - A8B4C5D48E12_mC154_5_7c_ab2c_a4c_47c_ab10c:Fe-Mg-Na-O-P, expected Na9Mg6Fe14(P11O47)2 to be Na5Mg4Fe8(PO4)12" +mp-1221187,Na4MgFe(PO4)3,-6.9504776812,-2.6190217532,0.0,-0.0015772781,GGA+U,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Fe-Mg-Na-O-P,42.0,ABC4D12E3_hR126_161_a_a_ab_4b_b:Fe-Mg-Na-O-P +mp-1173842,NaCaMg3Fe6(PO4)9,-7.688388285,-2.5857167002,0.0148898469,0.0148898469,GGA+U,C2/c,AB6C3DE36F9_mC224_15_c_3f_ef_e_18f_e4f:Ca-Fe-Mg-Na-O-P,112.0,"Invalid WP multiplicities - AB6C3DE36F9_mC224_15_a_8f_2e2f_e_68f_2e14f:Ca-Fe-Mg-Na-O-P, expected NaCaMg6Fe16(P15O68)2 to be NaCaMg3Fe6(PO4)9" +mp-1210671,Na2CaFe2(PO4)3,-7.4791516877,-2.6196084407,0.0058383486,0.0058383486,GGA+U,C2/c,AB2C2D12E3_mC80_15_e_f_ae_6f_ef:Ca-Fe-Na-O-P,40.0,AB2C2D12E3_mC80_15_e_f_ae_6f_ef:Ca-Fe-Na-O-P +mp-1182791,CaMgFeP2O13,-6.5649503779,-1.7199804113,0.4236889579,0.4236889579,GGA+U,Pbca,ABCD13E2_oP144_61_c_c_c_13c_2c:Ca-Fe-Mg-O-P,144.0,ABCD13E2_oP144_61_c_c_c_13c_2c:Ca-Fe-Mg-O-P +mp-1210561,Na2MgFe2(PO4)3,-7.3938381483,-2.5545608927,0.0128717355,0.0128717355,GGA+U,C2/c,A2BC2D12E3_mC80_15_f_e_ae_6f_ef:Fe-Mg-Na-O-P,40.0,A2BC2D12E3_mC80_15_f_e_ae_6f_ef:Fe-Mg-Na-O-P +mp-1173791,Na7Mg7Fe5(PO4)12,-7.3145158423,-2.6915989856,0.0,-0.0013276716,GGA+U,P1,A5B7C7D48E12_aP79_1_5a_7a_7a_48a_12a:Fe-Mg-Na-O-P,79.0,A5B7C7D48E12_aP79_1_5a_7a_7a_48a_12a:Fe-Mg-Na-O-P +mp-9467,NaCa9Mg(PO4)7,-7.5675395172,-3.2768089579,0.0,-0.0121479744,GGA,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Mg-Na-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_3b_a_a_a12b_a3b:Ca-Mg-Na-O-P, expected NaCa9MgP10O37 to be NaCa9Mg(PO4)7" +mp-725491,Na3Ca18Fe(PO4)14,-7.5701318723,-3.2077492869,0.0,-0.0053775759,GGA+U,P1,A18BC3D56E14_aP92_1_18a_a_3a_56a_14a:Ca-Fe-Na-O-P,92.0,A18BC3D56E14_aP92_1_18a_a_3a_56a_14a:Ca-Fe-Na-O-P +mp-850003,NaCaFe3(PO4)4,-7.7309987327,-2.5494620043,0.0,-0.0010122952,GGA+U,Pbca,AB3CD16E4_oP200_61_c_3c_c_16c_4c:Ca-Fe-Na-O-P,200.0,"Invalid WP multiplicities - AB3CD16E4_oP200_61_c_9c_c_61c_13c:Ca-Fe-Na-O-P, expected NaCaFe9P13O61 to be NaCaFe3(PO4)4" +mp-684968,BaYbAl2SiN5O2,-7.0008149842,-1.338239571,0.6060480197,0.6060480197,GGA,Cc,A2BC5D2EF_mC48_9_2a_a_5a_2a_a_a:Al-Ba-N-O-Si-Yb,,"Invalid WP multiplicities - A2BC5D2EF_mC48_9_4a_a_10a_4a_a_a:Al-Ba-N-O-Si-Yb, expected BaYbAl4Si(N5O2)2 to be BaYbAl2SiN5O2" +mp-1249028,BaYbAl2SiN5O2,-7.0633182096,-1.4007427965,0.5435447943,0.5435447943,GGA,Cc,A2BC5D2EF_mC48_9_2a_a_5a_2a_a_a:Al-Ba-N-O-Si-Yb,,"Invalid WP multiplicities - A2BC5D2EF_mC48_9_4a_a_10a_4a_a_a:Al-Ba-N-O-Si-Yb, expected BaYbAl4Si(N5O2)2 to be BaYbAl2SiN5O2" +mp-1214205,BaYbAl3SiN4O3,-7.4410576796,-2.186698097,0.1315973266,0.1315973266,GGA,P6_3mc,A3BC4D3EF_hP26_186_c_b_ac_c_a_b:Al-Ba-N-O-Si-Yb,,A3BC4D3EF_hP26_186_c_b_ac_c_a_b:Al-Ba-N-O-Si-Yb +mp-6778,BaYbSi4N7,-7.6916210904,-1.26736572,0.0242510844,0.0242510844,GGA,P6_3mc,AB7C4D_hP26_186_b_a2c_ac_b:Ba-N-Si-Yb,,AB7C4D_hP26_186_b_a2c_ac_b:Ba-N-Si-Yb +mp-684785,BaYbAl2Si2N5O2,-7.0539504177,-1.4096255725,0.6025391168,0.6025391168,GGA,P1,A2BC5D2E2F_aP26_1_4a_2a_10a_4a_4a_2a:Al-Ba-N-O-Si-Yb,,A2BC5D2E2F_aP26_1_4a_2a_10a_4a_4a_2a:Al-Ba-N-O-Si-Yb +mp-720249,Ba6Yb6Al13Si11N29O13,-7.3340009535,-1.7546703187,0.309090459,0.309090459,GGA,P1,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb,,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb +mp-1249679,Ba6Yb6Al13Si11N29O13,-7.3461811987,-1.766850564,0.2969102138,0.2969102138,GGA,P1,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb,,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb +mp-1265479,Ba6Yb6Al13Si11N29O13,-7.3425286009,-1.7631979661,0.3005628116,0.3005628116,GGA,P1,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb,,A13B6C29D13E11F6_aP78_1_13a_6a_29a_13a_11a_6a:Al-Ba-N-O-Si-Yb +mp-1201554,BaYb6Si7O24,-7.5671066511,-3.1498861274,0.0107960597,0.0107960597,GGA,P2_1/m,AB24C7D6_mP76_11_e_2e11f_e3f_3f:Ba-O-Si-Yb,,AB24C7D6_mP76_11_e_2e11f_e3f_3f:Ba-O-Si-Yb +mp-684853,Ba2Yb2Al4Si3(N5O2)2,-6.9433016984,-1.2902165806,0.6893671014,0.6893671014,GGA,P1,A4B2C10D4E3F2_aP25_1_4a_2a_10a_4a_3a_2a:Al-Ba-N-O-Si-Yb,,A4B2C10D4E3F2_aP25_1_4a_2a_10a_4a_3a_2a:Al-Ba-N-O-Si-Yb +mp-1248373,Ba2Yb2Al4Si3(N5O2)2,-7.0026682568,-1.349583139,0.6300005430000001,0.6300005430000001,GGA,P1,A4B2C10D4E3F2_aP25_1_4a_2a_10a_4a_3a_2a:Al-Ba-N-O-Si-Yb,,A4B2C10D4E3F2_aP25_1_4a_2a_10a_4a_3a_2a:Al-Ba-N-O-Si-Yb +mp-1202951,BaYb2Si3O10,-7.6378739491,-3.2165594052,0.0,-0.0075363287,GGA,P2_1/m,AB10C3D2_mP32_11_e_2e4f_ef_f:Ba-O-Si-Yb,,AB10C3D2_mP32_11_e_2e4f_ef_f:Ba-O-Si-Yb +mp-2714131,Na10Hf6Mg2Si7S5O48,-7.6534148509,-2.8807291983,0.0883749215,0.0883749215,GGA,P1,A6B2C10D48E5F7_aP234_1_18a_6a_30a_144a_15a_21a:Hf-Mg-Na-O-S-Si,234.0,A6B2C10D48E5F7_aP234_1_18a_6a_30a_144a_15a_21a:Hf-Mg-Na-O-S-Si +mp-2714716,Na2Hf3Mg5(SO4)12,-7.1131354669,-2.4331858316,0.0,-0.002361113,GGA,P1,A3B5C2D48E12_aP210_1_9a_15a_6a_144a_36a:Hf-Mg-Na-O-S,210.0,A3B5C2D48E12_aP210_1_9a_15a_6a_144a_36a:Hf-Mg-Na-O-S +mp-2713860,Na6Hf4Mg4Si3(S3O16)3,-7.2771828042,-2.6135329513,0.0617100282,0.0617100282,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Hf-Mg-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Hf-Mg-Na-O-S-Si +mp-2716504,Na10Hf5Mg3Si6(SO8)6,-7.4202229049,-2.7712010619000003,0.1065462107,0.1065462107,GGA,P1,A5B3C10D48E6F6_aP234_1_15a_9a_30a_144a_18a_18a:Hf-Mg-Na-O-S-Si,234.0,A5B3C10D48E6F6_aP234_1_15a_9a_30a_144a_18a_18a:Hf-Mg-Na-O-S-Si +mp-2712724,Na2Hf3MgSi2(SO6)4,-7.7650583107,-2.7585621351,0.052191591,0.052191591,GGA,P1,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Hf-Mg-Na-O-S-Si,108.0,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Hf-Mg-Na-O-S-Si +mp-2714851,Na6Hf7MgSi6(SO8)6,-7.9630422049,-2.9083473327,0.0632950946,0.0632950946,GGA,P1,A7BC6D48E6F6_aP222_1_21a_3a_18a_144a_18a_18a:Hf-Mg-Na-O-S-Si,222.0,A7BC6D48E6F6_aP222_1_21a_3a_18a_144a_18a_18a:Hf-Mg-Na-O-S-Si +mp-2713686,Na6Hf2Mg6SiS11O48,-6.8521450249,-2.4491918516,0.023856281,0.023856281,GGA,P1,A2B6C6D48E11F_aP222_1_6a_18a_18a_144a_33a_3a:Hf-Mg-Na-O-S-Si,222.0,A2B6C6D48E11F_aP222_1_6a_18a_18a_144a_33a_3a:Hf-Mg-Na-O-S-Si +mp-2713884,HfMg(SO4)3,-7.3621773302,-2.4605841999,0.0,-0.1154031029,GGA,R3c,ABC12D3_hR102_161_a_a_4b_b:Hf-Mg-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hR102_161_a_a_12b_b:Hf-Mg-O-S, expected HfMg(SO12)3 to be HfMg(SO4)3" +mp-2713326,Na4Hf3MgSi3(SO8)3,-7.6805939751,-2.8340734205,0.0992819654,0.0992819654,GGA,P1,A3BC4D24E3F3_aP114_1_9a_3a_12a_72a_9a_9a:Hf-Mg-Na-O-S-Si,114.0,A3BC4D24E3F3_aP114_1_9a_3a_12a_72a_9a_9a:Hf-Mg-Na-O-S-Si +mp-2714477,Na4HfMgSi2SO12,-7.1297774967,-2.7871622246000003,0.0812973776,0.0812973776,GGA,Cc,ABC4D12EF2_mC84_9_a_a_4a_12a_a_2a:Hf-Mg-Na-O-S-Si,126.0,"Invalid WP multiplicities - ABC4D12EF2_mC84_9_a_a_14a_60a_a_7a:Hf-Mg-Na-O-S-Si, expected Na14HfMgSi7SO60 to be Na4HfMgSi2SO12" +mp-2715169,Na14Hf6Mg2Si9(SO16)3,-7.5817056354,-2.9458846793,0.0637408841,0.0637408841,GGA,P1,A6B2C14D48E3F9_aP246_1_18a_6a_42a_144a_9a_27a:Hf-Mg-Na-O-S-Si,246.0,A6B2C14D48E3F9_aP246_1_18a_6a_42a_144a_9a_27a:Hf-Mg-Na-O-S-Si +mp-2714914,Na10Hf2Mg6Si3(S3O16)3,-6.7953980509,-2.5173676365,0.0754441313,0.0754441313,GGA,P1,A2B6C10D48E9F3_aP234_1_6a_18a_30a_144a_27a_9a:Hf-Mg-Na-O-S-Si,234.0,A2B6C10D48E9F3_aP234_1_6a_18a_30a_144a_27a_9a:Hf-Mg-Na-O-S-Si +mp-2714948,Na8HfMg3Si3(SO8)3,-6.7254976806,-2.612543769,0.0959363446,0.0959363446,GGA,P1,AB3C8D24E3F3_aP126_1_3a_9a_24a_72a_9a_9a:Hf-Mg-Na-O-S-Si,126.0,AB3C8D24E3F3_aP126_1_3a_9a_24a_72a_9a_9a:Hf-Mg-Na-O-S-Si +mp-2716076,Na14Hf2Mg6Si5S7O48,-6.737491787,-2.5721965452,0.1096661637,0.1096661637,GGA,P1,A2B6C14D48E7F5_aP246_1_6a_18a_42a_144a_21a_15a:Hf-Mg-Na-O-S-Si,246.0,A2B6C14D48E7F5_aP246_1_6a_18a_42a_144a_21a_15a:Hf-Mg-Na-O-S-Si +mp-2712732,Na6HfMg3Si2(SO6)4,-6.7647609987,-2.5445073602,0.0992396843,0.0992396843,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Hf-Mg-Na-O-S-Si,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Hf-Mg-Na-O-S-Si +mp-2713314,Na2HfMgSi(SO6)2,-7.2328576003,-2.6401732863,0.0961022501,0.0961022501,GGA,Cc,ABC2D12E2F_mC228_9_3a_3a_6a_36a_6a_3a:Hf-Mg-Na-O-S-Si,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC228_9_3a_3a_6a_60a_9a_3a:Hf-Mg-Na-O-S-Si, expected Na2HfMgSiS3O20 to be Na2HfMgSi(SO6)2" +mp-2716292,Na2Hf6Mg2Si3(S3O16)3,-7.8004237487,-2.7070836644,0.0309808261,0.0309808261,GGA,P1,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Hf-Mg-Na-O-S-Si,210.0,A6B2C2D48E9F3_aP210_1_18a_6a_6a_144a_27a_9a:Hf-Mg-Na-O-S-Si +mp-2714219,Na2Hf4Mg4SiS11O48,-7.3384872585,-2.5207408069,0.0165768307,0.0165768307,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Hf-Mg-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Hf-Mg-Na-O-S-Si +mp-2715781,Na14Hf4Mg4Si7S5O48,-7.164657533,-2.7640994341000003,0.081644702,0.081644702,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Hf-Mg-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Hf-Mg-Na-O-S-Si +mp-2713139,Na4HfMg3SiS5O24,-6.824060955,-2.4852128816,0.0539828052,0.0539828052,GGA,P1,AB3C4D24E5F_aP114_1_3a_9a_12a_72a_15a_3a:Hf-Mg-Na-O-S-Si,114.0,AB3C4D24E5F_aP114_1_3a_9a_12a_72a_15a_3a:Hf-Mg-Na-O-S-Si +mp-2716226,Na8Hf3MgSi5SO24,-7.5582679183,-2.9859912856,0.0424478051,0.0424478051,GGA,P1,A3BC8D24EF5_aP126_1_9a_3a_24a_72a_3a_15a:Hf-Mg-Na-O-S-Si,126.0,A3BC8D24EF5_aP126_1_9a_3a_24a_72a_3a_15a:Hf-Mg-Na-O-S-Si +mp-2714531,Na6Hf3MgSi4(SO12)2,-7.6110943248,-2.9085518291,0.0813195305,0.0813195305,GGA,P1,A3BC6D24E2F4_aP120_1_9a_3a_18a_72a_6a_12a:Hf-Mg-Na-O-S-Si,120.0,A3BC6D24E2F4_aP120_1_9a_3a_18a_72a_6a_12a:Hf-Mg-Na-O-S-Si +mp-2714036,Na2HfMg3(SO4)6,-6.8733382094,-2.4027185417,0.0,-0.0010007591,GGA,P3,AB3C2D24E6_hP108_143_2ab_2a3b4c_2a2b2c_24d_6d:Hf-Mg-Na-O-S,108.0,AB3C2D24E6_hP108_143_2ab_2a3b4c_2a2b2c_24d_6d:Hf-Mg-Na-O-S +mp-2715024,Na10Hf4Mg4Si5S7O48,-7.200627961,-2.6752699275,0.1095683602,0.1095683602,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Hf-Mg-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Hf-Mg-Na-O-S-Si +mp-2715558,Na2Hf2Mg2SiS5O24,-7.3113668779,-2.5728089562000003,0.036520045,0.036520045,GGA,P1,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Hf-Mg-Na-O-S-Si,108.0,A2B2C2D24E5F_aP108_1_6a_6a_6a_72a_15a_3a:Hf-Mg-Na-O-S-Si +mp-2716045,Na6Hf6Mg2Si5S7O48,-7.7060651614,-2.781718629,0.0936287431,0.0936287431,GGA,P1,A6B2C6D48E7F5_aP222_1_18a_6a_18a_144a_21a_15a:Hf-Mg-Na-O-S-Si,222.0,A6B2C6D48E7F5_aP222_1_18a_6a_18a_144a_21a_15a:Hf-Mg-Na-O-S-Si +mp-2716190,Na6Hf2Mg2Si3(SO8)3,-7.1679044303,-2.7065063633,0.1153865334,0.1153865334,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Hf-Mg-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Hf-Mg-Na-O-S-Si +mp-2713002,Hf3MgSiS5O24,-7.8410999633,-2.6558075053,0.0052919125,0.0052919125,GGA,P1,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Hf-Mg-O-S-Si,102.0,A3BC24D5E_aP102_1_9a_3a_72a_15a_3a:Hf-Mg-O-S-Si +mp-2715166,Na6HfMg7(SO4)12,-6.6445555427,-2.3719507092,0.0,-0.0003524751,GGA,P1,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Hf-Mg-Na-O-S,222.0,AB7C6D48E12_aP222_1_3a_21a_18a_144a_36a:Hf-Mg-Na-O-S +mp-2714111,Na14Hf3Mg5Si6(SO8)6,-6.9375322797,-2.6546056093,0.1091978132,0.1091978132,GGA,P1,A3B5C14D48E6F6_aP246_1_9a_15a_42a_144a_18a_18a:Hf-Mg-Na-O-S-Si,246.0,A3B5C14D48E6F6_aP246_1_9a_15a_42a_144a_18a_18a:Hf-Mg-Na-O-S-Si +mp-2714968,Na7Sc2Si3Sn2(PO8)3,-7.2339318684,-2.8149526085,0.0344439832,0.0344439832,GGA,P1,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Sn,123.0,A7B24C3D2E3F2_aP123_1_21a_72a_9a_6a_9a_6a:Na-O-P-Sc-Si-Sn +mp-2715501,Na3ScSiSn(PO6)2,-7.3068544252,-2.8107642042,0.0408007841,0.0408007841,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Sc-Si-Sn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Sc-Si-Sn, expected Na14Sc3Si3Sn3(P5O36)2 to be Na3ScSiSn(PO6)2" +mp-2715514,Na3ScSiSn(PO6)2,-7.3064689552,-2.8103787343,0.041186254,0.041186254,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Sc-Si-Sn,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Sc-Si-Sn, expected Na3ScSiSn(PO15)2 to be Na3ScSiSn(PO6)2" +mp-2716168,Na4ScSi2SnPO12,-7.1574987847,-2.8119585354,0.0327568439,0.0327568439,GGA,Cc,A4B12CDE2F_mC84_9_4a_12a_a_a_2a_a:Na-O-P-Sc-Si-Sn,126.0,"Invalid WP multiplicities - A4B12CDE2F_mC84_9_19a_72a_a_a_12a_a:Na-O-P-Sc-Si-Sn, expected Na19ScSi12SnPO72 to be Na4ScSi2SnPO12" +mp-2716550,Na3ScSn3(PO4)6,-7.3578405032,-2.6678647015,0.010798163,0.010798163,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Sn,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Sc-Sn +mp-2716433,Na5Sc3Sn(PO4)6,-7.5722016915,-2.9357927237,0.0146303444,0.0146303444,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Sn,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Sc-Sn +mp-2713665,Na2ScSn(PO4)3,-7.4666485482,-2.8041609903,0.0139577682,0.0139577682,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Sc-Sn,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Sc-Sn, expected Na2ScSn(PO4)18 to be Na2ScSn(PO4)3" +mp-2715828,Na5Sc2SiSn2P5O24,-7.3856387665,-2.8084831762,0.0304083674,0.0304083674,GGA,P1,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Sn,117.0,A5B24C5D2EF2_aP117_1_15a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Sn +mp-1097396,Y2GaPb,-3.0568139625,1.8616073673,2.4677991379,2.4677991379,GGA,Immm,ABC2_oI8_71_a_b_e:Ga-Pb-Y,4.0,ABC2_oI8_71_a_b_e:Ga-Pb-Y +mp-1218790,Sr4Y2GaCu5(PbO4)4,-6.4061290306,-2.1182336221,0.0702351176,0.0702351176,GGA,Cm,A5BC16D4E4F2_mC64_8_5a_a_8a4b_4a_4a_2a:Cu-Ga-O-Pb-Sr-Y,32.0,"Invalid WP multiplicities - A5BC16D4E4F2_mC64_8_5a_a_8a7b_4a_4a_2a:Cu-Ga-O-Pb-Sr-Y, expected Sr4Y2GaCu5(Pb2O11)2 to be Sr4Y2GaCu5(PbO4)4" +mp-2714280,Na2In4Ga4SiS11O48,-6.4715763697,-1.983983594,0.0576347428,0.0576347428,GGA,P1,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ga-In-Na-O-S-Si,210.0,A4B4C2D48E11F_aP210_1_12a_12a_6a_144a_33a_3a:Ga-In-Na-O-S-Si +mp-2715129,Na10In4Ga4Si5S7O48,-6.4754942732,-2.2464280001,0.1162106872,0.1162106872,GGA,P1,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ga-In-Na-O-S-Si,234.0,A4B4C10D48E7F5_aP234_1_12a_12a_30a_144a_21a_15a:Ga-In-Na-O-S-Si +mp-2713772,Na6In4Ga4Si3(S3O16)3,-6.487663524,-2.1363212024,0.0811055098,0.0811055098,GGA,P1,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ga-In-Na-O-S-Si,222.0,A4B4C6D48E9F3_aP222_1_12a_12a_18a_144a_27a_9a:Ga-In-Na-O-S-Si +mp-2715595,Na14In4Ga4Si7S5O48,-6.4652959688,-2.3465763737,0.1264016446,0.1264016446,GGA,P1,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ga-In-Na-O-S-Si,246.0,A4B4C14D48E5F7_aP246_1_12a_12a_42a_144a_15a_21a:Ga-In-Na-O-S-Si +mp-2714529,Na4InGaSi2SO12,-6.4638240953,-2.3963368864,0.1057425823,0.1057425823,GGA,P1,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Ga-In-Na-O-S-Si,126.0,ABC4D12EF2_aP126_1_6a_6a_24a_72a_6a_12a:Ga-In-Na-O-S-Si +mp-2716211,Na6In2Ga2Si3(SO8)3,-6.4757973001,-2.3032836994,0.1265155263,0.1265155263,GGA,P1,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ga-In-Na-O-S-Si,120.0,A2B2C6D24E3F3_aP120_1_6a_6a_18a_72a_9a_9a:Ga-In-Na-O-S-Si +mp-2713984,InGa(SO4)3,-6.4762040733,-1.9144750211,0.0227684384,0.0227684384,GGA,P321,ABC12D3_hP102_150_3d_2cd_12g_ef2g:Ga-In-O-S,102.0,"Invalid WP multiplicities - ABC12D3_hP102_150_5d_3cd_20g_ef4g:Ga-In-O-S, expected In4Ga5(SO4)15 to be InGa(SO4)3" +mp-2713657,Na2InGaSi(SO6)2,-6.4828662106,-2.1942708086,0.097672575,0.097672575,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-In-Na-O-S-Si,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-In-Na-O-S-Si +mp-2715702,Na6Ta4Zn8Si3(S5O24)3,-6.8137612404,-2.1847936435,0.0477772055,0.0477772055,GGA,P1,A6B72C15D3E4F8_aP108_1_6a_72a_15a_3a_4a_8a:Na-O-S-Si-Ta-Zn,108.0,A6B72C15D3E4F8_aP108_1_6a_72a_15a_3a_4a_8a:Na-O-S-Si-Ta-Zn +mp-2713491,Na15Ta5Zn7Si9(SO8)9,-6.9480994091,-2.4167962372,0.1476537426,0.1476537426,GGA,P1,A15B72C9D9E5F7_aP117_1_15a_72a_9a_9a_5a_7a:Na-O-S-Si-Ta-Zn,117.0,A15B72C9D9E5F7_aP117_1_15a_72a_9a_9a_5a_7a:Na-O-S-Si-Ta-Zn +mp-2713898,Na18Ta8Zn4Si15(SO24)3,-7.5554312128,-2.7749532292,0.0932453697,0.0932453697,GGA,P1,A18B72C3D15E8F4_aP120_1_18a_72a_3a_15a_8a_4a:Na-O-S-Si-Ta-Zn,120.0,A18B72C3D15E8F4_aP120_1_18a_72a_3a_15a_8a_4a:Na-O-S-Si-Ta-Zn +mp-2714447,Na12Ta2Zn4Si6(SO12)3,-6.7303628539,-2.4816821458,0.1191842196,0.1191842196,GGA,Cc,A12B36C3D6E2F4_mC252_9_12a_36a_3a_6a_2a_4a:Na-O-S-Si-Ta-Zn,126.0,"Invalid WP multiplicities - A12B36C3D6E2F4_mC252_9_18a_60a_4a_9a_2a_4a:Na-O-S-Si-Ta-Zn, expected Na18Ta2Zn4Si9(SO15)4 to be Na12Ta2Zn4Si6(SO12)3" +mp-2712612,NaTaZnSi(SO6)2,-7.2050137295,-2.34398435,0.1068244785,0.1068244785,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Si-Ta-Zn,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_72a_10a_3a_3a_3a:Na-O-S-Si-Ta-Zn, expected Na3Ta3Zn3Si3(S5O36)2 to be NaTaZnSi(SO6)2" +mp-2714640,NaTaZn3(SO4)6,-6.5975566495,-2.0118777345,0.0073994264,0.0073994264,GGA,P3,AB24C6DE3_hP105_143_a2b_24d_6d_a2c_3a4b2c:Na-O-S-Ta-Zn,105.0,AB24C6DE3_hP105_143_a2b_24d_6d_a2c_3a4b2c:Na-O-S-Ta-Zn +mp-2714468,Na3TaZnSi2SO12,-7.1101927177,-2.5385703386,0.1664960032,0.1664960032,GGA,Cc,A3B12CD2EF_mC80_9_3a_12a_a_2a_a_a:Na-O-S-Si-Ta-Zn,120.0,"Invalid WP multiplicities - A3B12CD2EF_mC80_9_13a_72a_a_12a_a_a:Na-O-S-Si-Ta-Zn, expected Na13TaZnSi12SO72 to be Na3TaZnSi2SO12" +mp-2713051,Ta2Zn2SiS5O24,-7.2418244916,-2.2105557,0.0450321008,0.0450321008,GGA,P1,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Ta-Zn,102.0,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Ta-Zn +mp-2715148,Na9TaZn11(SO4)18,-6.2115832730000005,-1.9932466082,0.0164092288,0.0164092288,GGA,P1,A9B72C18DE11_aP111_1_9a_72a_18a_a_11a:Na-O-S-Ta-Zn,111.0,A9B72C18DE11_aP111_1_9a_72a_18a_a_11a:Na-O-S-Ta-Zn +mp-2713639,Na6Ta2Zn4Si3(SO6)6,-6.7913568047,-2.3024949037,0.1041212536,0.1041212536,GGA,P3c1,A6B36C6D3E2F4_hP114_158_abcd_12d_2d_d_ab_ab2c:Na-O-S-Si-Ta-Zn,114.0,A6B36C6D3E2F4_hP114_158_abcd_12d_2d_d_ab_ab2c:Na-O-S-Si-Ta-Zn +mp-2713482,Ta4Zn2Si3(SO6)6,-7.7155353668,-2.4385540994,0.0481092091,0.0481092091,GGA,Cc,A36B6C3D4E2_mC204_9_36a_6a_3a_4a_2a:O-S-Si-Ta-Zn,102.0,"Invalid WP multiplicities - A36B6C3D4E2_mC204_9_60a_9a_4a_4a_2a:O-S-Si-Ta-Zn, expected Ta4Zn2Si4(S3O20)3 to be Ta4Zn2Si3(SO6)6" +mp-2715037,Na24Ta2Zn10Si9(SO8)9,-6.3812369934,-2.3314663848,0.114112449,0.114112449,GGA,P1,A24B72C9D9E2F10_aP126_1_24a_72a_9a_9a_2a_10a:Na-O-S-Si-Ta-Zn,126.0,A24B72C9D9E2F10_aP126_1_24a_72a_9a_9a_2a_10a:Na-O-S-Si-Ta-Zn +mp-2713771,Ta10Zn2Si9(SO8)9,-8.2194173032,-2.6967235601,0.0210152561,0.0210152561,GGA,P1,A72B9C9D10E2_aP102_1_72a_9a_9a_10a_2a:O-S-Si-Ta-Zn,102.0,A72B9C9D10E2_aP102_1_72a_9a_9a_10a_2a:O-S-Si-Ta-Zn +mp-2714215,Na3TaZn5(SO4)9,-6.408669375,-2.0117635608,0.0025693086,0.0025693086,GGA,P3c1,A3B36C9DE5_hP108_158_abc_12d_3d_a_a2b2c:Na-O-S-Ta-Zn,108.0,A3B36C9DE5_hP108_158_abc_12d_3d_a_a2b2c:Na-O-S-Ta-Zn +mp-2713702,Na4Ta2Zn2Si3(SO8)3,-7.1635119562,-2.4548020506,0.1459438451,0.1459438451,GGA,P1,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Ta-Zn,114.0,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Ta-Zn +mp-2716395,Na30Ta20Zn4Si33(SO48)3,-8.0277859273,-2.9609555646,0.0511087508,0.0511087508,GGA,P1,A30B144C3D33E20F4_aP234_1_30a_144a_3a_33a_20a_4a:Na-O-S-Si-Ta-Zn,234.0,A30B144C3D33E20F4_aP234_1_30a_144a_3a_33a_20a_4a:Na-O-S-Si-Ta-Zn +mp-2714773,Na14Ta4Zn4Si9(SO16)3,-7.1348553427,-2.6267613295,0.1045893928,0.1045893928,GGA,P1,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Zn,246.0,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Zn +mp-2715062,Na12Ta10Zn2Si15(SO24)3,-8.0698336474,-2.9214277324,0.0608962237,0.0608962237,GGA,P1,A12B72C3D15E10F2_aP114_1_12a_72a_3a_15a_10a_2a:Na-O-S-Si-Ta-Zn,114.0,A12B72C3D15E10F2_aP114_1_12a_72a_3a_15a_10a_2a:Na-O-S-Si-Ta-Zn +mp-1217994,Ta2ZnS4,-7.05613175,-1.1245462732,0.1292342993,0.1292342993,GGA,P-3m1,A4B2C_hP7_164_2d_c_a:S-Ta-Zn,7.0,A4B2C_hP7_164_2d_c_a:S-Ta-Zn +mp-2714738,Na9Ta7Zn5Si9(SO8)9,-7.4152645383,-2.5195583456,0.1194454072,0.1194454072,GGA,P1,A9B72C9D9E7F5_aP111_1_9a_72a_9a_9a_7a_5a:Na-O-S-Si-Ta-Zn,111.0,A9B72C9D9E7F5_aP111_1_9a_72a_9a_9a_7a_5a:Na-O-S-Si-Ta-Zn +mp-2715747,Na42Ta8Zn16Si21(S5O48)3,-6.7309992261,-2.4266667782,0.1455305225,0.1455305225,GGA,P1,A42B144C15D21E8F16_aP246_1_42a_144a_15a_21a_8a_16a:Na-O-S-Si-Ta-Zn,246.0,A42B144C15D21E8F16_aP246_1_42a_144a_15a_21a_8a_16a:Na-O-S-Si-Ta-Zn +mp-2712561,Na9TaZn5Si3(SO6)6,-6.3779785183,-2.224067348,0.1214782605,0.1214782605,GGA,Cc,A9B36C6D3EF5_mC240_9_9a_36a_6a_3a_a_5a:Na-O-S-Si-Ta-Zn,120.0,"Invalid WP multiplicities - A9B36C6D3EF5_mC240_9_12a_60a_9a_4a_a_5a:Na-O-S-Si-Ta-Zn, expected Na12TaZn5Si4(S3O20)3 to be Na9TaZn5Si3(SO6)6" +mp-2712594,Na6Ta4Zn2Si6(SO12)3,-7.6285854468,-2.7000275366,0.0948480974,0.0948480974,GGA,P3c1,A6B36C3D6E4F2_hP114_158_abcd_12d_d_2d_ab2c_ab:Na-O-S-Si-Ta-Zn,114.0,A6B36C3D6E4F2_hP114_158_abcd_12d_d_2d_ab2c_ab:Na-O-S-Si-Ta-Zn +mp-2713336,Na6Ta8Zn4Si9(SO8)9,-7.6821173079,-2.5890261456,0.0768954475,0.0768954475,GGA,P1,A6B72C9D9E8F4_aP108_1_6a_72a_9a_9a_8a_4a:Na-O-S-Si-Ta-Zn,108.0,A6B72C9D9E8F4_aP108_1_6a_72a_9a_9a_8a_4a:Na-O-S-Si-Ta-Zn +mp-2713831,Na18Ta8Zn16Si9(S3O16)9,-6.7998515276,-2.2428300988,0.083814847,0.083814847,GGA,P1,A18B144C27D9E8F16_aP222_1_18a_144a_27a_9a_8a_16a:Na-O-S-Si-Ta-Zn,222.0,A18B144C27D9E8F16_aP222_1_18a_144a_27a_9a_8a_16a:Na-O-S-Si-Ta-Zn +mp-2714756,Na30Ta4Zn20Si9(S3O16)9,-6.3921719977,-2.1821851403,0.0985367604,0.0985367604,GGA,P1,A30B144C27D9E4F20_aP234_1_30a_144a_27a_9a_4a_20a:Na-O-S-Si-Ta-Zn,234.0,A30B144C27D9E4F20_aP234_1_30a_144a_27a_9a_4a_20a:Na-O-S-Si-Ta-Zn +mp-2716207,Na6Ta16Zn8Si15(S7O48)3,-7.7141830773,-2.531773864,0.0486866728,0.0486866728,GGA,P1,A6B144C21D15E16F8_aP210_1_6a_144a_21a_15a_16a_8a:Na-O-S-Si-Ta-Zn,210.0,A6B144C21D15E16F8_aP210_1_6a_144a_21a_15a_16a_8a:Na-O-S-Si-Ta-Zn +mp-2715711,Na3Ta5ZnSi6(SO12)3,-8.1497283326,-2.8245753877,0.0544064515,0.0544064515,GGA,Cc,A3B36C3D6E5F_mC216_9_3a_36a_3a_6a_5a_a:Na-O-S-Si-Ta-Zn,108.0,"Invalid WP multiplicities - A3B36C3D6E5F_mC216_9_3a_72a_4a_11a_5a_a:Na-O-S-Si-Ta-Zn, expected Na3Ta5ZnSi11(SO18)4 to be Na3Ta5ZnSi6(SO12)3" +mp-2714984,Na30Ta8Zn16Si15(S7O48)3,-6.7735128358,-2.3493151021,0.1205588513,0.1205588513,GGA,P1,A30B144C21D15E8F16_aP234_1_30a_144a_21a_15a_8a_16a:Na-O-S-Si-Ta-Zn,234.0,A30B144C21D15E8F16_aP234_1_30a_144a_21a_15a_8a_16a:Na-O-S-Si-Ta-Zn +mp-2713766,Ta2Zn4(SO4)9,-6.8100686088,-2.024512293,0.0,-0.0703571679,GGA,P3c1,A36B9C2D4_hP102_158_12d_3d_ab_ab2c:O-S-Ta-Zn,102.0,A36B9C2D4_hP102_158_12d_3d_ab_ab2c:O-S-Ta-Zn +mp-2713123,Na12Ta2Zn10Si3(S5O24)3,-6.3913508246,-2.1223369282,0.0837884401,0.0837884401,GGA,P1,A12B72C15D3E2F10_aP114_1_12a_72a_15a_3a_2a_10a:Na-O-S-Si-Ta-Zn,114.0,A12B72C15D3E2F10_aP114_1_12a_72a_15a_3a_2a_10a:Na-O-S-Si-Ta-Zn +mp-2713301,Na18Ta4Zn20Si3(S11O48)3,-6.4030575941,-2.0718260079,0.0439996569,0.0439996569,GGA,P1,A18B144C33D3E4F20_aP222_1_18a_144a_33a_3a_4a_20a:Na-O-S-Si-Ta-Zn,222.0,A18B144C33D3E4F20_aP222_1_18a_144a_33a_3a_4a_20a:Na-O-S-Si-Ta-Zn +mp-2715737,Na6Ta20Zn4Si21(S5O48)3,-8.1871350483,-2.7660337157,0.0372929181,0.0372929181,GGA,P1,A6B144C15D21E20F4_aP210_1_6a_144a_15a_21a_20a_4a:Na-O-S-Si-Ta-Zn,210.0,A6B144C15D21E20F4_aP210_1_6a_144a_15a_21a_20a_4a:Na-O-S-Si-Ta-Zn +mp-2716015,Na42Ta4Zn20Si15(S7O48)3,-6.3803953679,-2.2798244853,0.1273826987,0.1273826987,GGA,P1,A42B144C21D15E4F20_aP246_1_42a_144a_21a_15a_4a_20a:Na-O-S-Si-Ta-Zn,246.0,A42B144C21D15E4F20_aP246_1_42a_144a_21a_15a_4a_20a:Na-O-S-Si-Ta-Zn +mp-2713065,Na18Ta20Zn4Si27(SO16)9,-8.1078905683,-2.8734996118,0.064568873,0.064568873,GGA,P1,A18B144C9D27E20F4_aP222_1_18a_144a_9a_27a_20a_4a:Na-O-S-Si-Ta-Zn,222.0,A18B144C9D27E20F4_aP222_1_18a_144a_9a_27a_20a_4a:Na-O-S-Si-Ta-Zn +mp-2714222,Na30Ta16Zn8Si27(SO16)9,-7.5865580964,-2.7339386101,0.1062019541,0.1062019541,GGA,P1,A30B144C9D27E16F8_aP234_1_30a_144a_9a_27a_16a_8a:Na-O-S-Si-Ta-Zn,234.0,A30B144C9D27E16F8_aP234_1_30a_144a_9a_27a_16a_8a:Na-O-S-Si-Ta-Zn +mp-2715676,Na8Ta2Zn2Si5SO24,-7.105641477,-2.6580506695,0.0981032275,0.0981032275,GGA,P1,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Zn,126.0,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Zn +mp-2714406,Na42Ta16Zn8Si33(SO48)3,-7.5320719419,-2.8202163634,0.0695680745,0.0695680745,GGA,P1,A42B144C3D33E16F8_aP246_1_42a_144a_3a_33a_16a_8a:Na-O-S-Si-Ta-Zn,246.0,A42B144C3D33E16F8_aP246_1_42a_144a_3a_33a_16a_8a:Na-O-S-Si-Ta-Zn +mp-2716254,Na18Ta4Zn8Si9(SO8)9,-6.7273887079,-2.3646219332,0.1653469266,0.1653469266,GGA,P1,A18B72C9D9E4F8_aP120_1_18a_72a_9a_9a_4a_8a:Na-O-S-Si-Ta-Zn,120.0,A18B72C9D9E4F8_aP120_1_18a_72a_9a_9a_4a_8a:Na-O-S-Si-Ta-Zn +mp-2712961,Na18Ta16Zn8Si21(S5O48)3,-7.6370428028,-2.6284416889,0.1102503079,0.1102503079,GGA,P1,A18B144C15D21E16F8_aP222_1_18a_144a_15a_21a_16a_8a:Na-O-S-Si-Ta-Zn,222.0,A18B144C15D21E16F8_aP222_1_18a_144a_15a_21a_16a_8a:Na-O-S-Si-Ta-Zn +mp-2716067,Na6Ta4Zn4Si5S7O48,-7.2051854235,-2.4223741521,0.1135696998,0.1135696998,GGA,P1,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Ta-Zn,222.0,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Ta-Zn +mp-2714282,Na7TaZn3Si3(SO8)3,-6.5502013137,-2.3477496484,0.1448709414,0.1448709414,GGA,P1,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Zn,123.0,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Zn +mp-2716451,Na2Ta4Zn4Si3(S3O16)3,-7.2504486982,-2.3067316043,0.0492555822,0.0492555822,GGA,P1,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Ta-Zn,210.0,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Ta-Zn +mp-2714127,Na10Ta4Zn4Si7S5O48,-7.134124397,-2.495715787,0.1633102192,0.1633102192,GGA,P1,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Zn,234.0,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Zn +mp-2714263,Na6Ta8Zn16Si3(S11O48)3,-6.810764445,-2.1057394703,0.0257743658,0.0257743658,GGA,P1,A6B144C33D3E8F16_aP210_1_6a_144a_33a_3a_8a_16a:Na-O-S-Si-Ta-Zn,210.0,A6B144C33D3E8F16_aP210_1_6a_144a_33a_3a_8a_16a:Na-O-S-Si-Ta-Zn +mp-2714020,NaTa3ZnSi3(SO8)3,-7.9423074923,-2.6405522193,0.0521449927,0.0521449927,GGA,P1,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-S-Si-Ta-Zn,105.0,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-S-Si-Ta-Zn +mp-685002,Sr2Er2Al3Si5N11O3,-7.5477089508,-1.4931223171,0.4483739367,0.4483739367,GGA,P3m1,A3B2C11D3E5F2_hP26_156_d_ab_2c3d_d_2cd_ab:Al-Er-N-O-Si-Sr,26.0,"Invalid WP multiplicities - A3B2C11D3E5F2_hP26_156_d_ab_2c9d_d_2cd_ab:Al-Er-N-O-Si-Sr, expected Sr2Er2Al3Si5N29O3 to be Sr2Er2Al3Si5N11O3" +mp-1208635,SrErAl3SiN4O3,-7.8222438454,-2.3526051056,0.0491913688,0.0491913688,GGA,P6_3mc,A3BC4D3EF_hP26_186_c_b_ac_c_a_b:Al-Er-N-O-Si-Sr,26.0,A3BC4D3EF_hP26_186_c_b_ac_c_a_b:Al-Er-N-O-Si-Sr +mp-1205498,RbNdNb2O7,-8.6496435418,-3.1425423997,0.0673951136,0.0673951136,GGA,P4/mmm,A2BC7D_tP11_123_g_c_agi_d:Nb-Nd-O-Rb,11.0,A2BC7D_tP11_123_g_c_agi_d:Nb-Nd-O-Rb +mp-1219593,RbNdTiNbO6F,-8.3960094918,-3.3653649648,0.0443168452,0.0443168452,GGA,P4mm,ABCD6EF_tP11_99_a_a_b_2a2c_b_a:F-Nb-Nd-O-Rb-Ti,11.0,ABCD6EF_tP11_99_a_a_b_2a2c_b_a:F-Nb-Nd-O-Rb-Ti +mp-2228739,Ba2YMgCo3O8,-7.1148083727,-2.2612640981,0.179321014,0.179321014,GGA+U,Pmm2,A2B3CD8E_oP15_25_2a_3d_a_3b3c2d_a:Ba-Co-Mg-O-Y,15.0,A2B3CD8E_oP15_25_2a_3d_a_3b3c2d_a:Ba-Co-Mg-O-Y +mp-2228249,BaYMgCoCuO5,-6.689899059,-2.0972296465,0.4640045426,0.4640045426,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Co-Cu-Mg-O-Y,10.0,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Co-Cu-Mg-O-Y +mp-2222848,BaYMgCoCuO5,-6.629837429,-2.0371680165,0.5240661726,0.5240661726,GGA+U,P4mm,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Co-Cu-Mg-O-Y,10.0,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Co-Cu-Mg-O-Y +mp-2240198,BaYMgCoCuO5,-6.721795988,-2.1291265755,0.4321076136,0.4321076136,GGA+U,P4mm,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Co-Cu-Mg-O-Y,10.0,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Co-Cu-Mg-O-Y +mp-1195176,Ba4NaGa2B8(ClO6)3,-7.448906627599999,-2.9190244596,0.0,-0.0091750347,GGA,P4_2nm,A8B4C3D2EF18_tP72_102_2cd_d_ab_c_a_3c3d:B-Ba-Cl-Ga-Na-O,72.0,A8B4C3D2EF18_tP72_102_2cd_d_ab_c_a_3c3d:B-Ba-Cl-Ga-Na-O +mp-2714734,Na14Mg2Zr6Si9(SO16)3,-7.4265567975,-2.893869139,0.0710504244,0.0710504244,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Zr,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Mg-Na-O-S-Si-Zr +mp-2713651,Na4MgZr3Si3(SO8)3,-7.5208865839,-2.7856414294,0.1018721779,0.1018721779,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Zr,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Mg-Na-O-S-Si-Zr +mp-2715735,Na2Mg2Zr2SiS5O24,-7.1973093164,-2.5370563058,0.0373460166,0.0373460166,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Zr,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Mg-Na-O-S-Si-Zr +mp-2713085,MgZr3SiS5O24,-7.660836009,-2.5999101745,0.0059275806,0.0059275806,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Zr,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Mg-O-S-Si-Zr +mp-2714884,Na10Mg6Zr2Si3(S3O16)3,-6.7425741729,-2.5006844867,0.0772384982,0.0772384982,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Zr,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Mg-Na-O-S-Si-Zr +mp-2712543,Na2MgZr3Si2(SO6)4,-7.5909207287,-2.7018819197,0.058506695,0.058506695,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Zr,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-S-Si-Zr +mp-2716102,Na10Mg2Zr6Si7S5O48,-7.4969582529,-2.832694785,0.0917429865,0.0917429865,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Zr,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Mg-Na-O-S-Si-Zr +mp-2715012,Na6Mg7Zr(SO4)12,-6.6183627821,-2.3648050891,0.0,-0.0021730736,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Zr,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Mg-Na-O-S-Zr +mp-2713997,Na6Mg4Zr4Si3(S3O16)3,-7.1638995175,-2.5764382268,0.0664802211,0.0664802211,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Zr,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Mg-Na-O-S-Si-Zr +mp-2715534,Na8MgZr3Si5SO24,-7.4009231656,-2.9293242757,0.0488482497,0.0488482497,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Zr,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Mg-Na-O-S-Si-Zr +mp-2713472,Na10Mg3Zr5Si6(SO8)6,-7.290998319,-2.7323282965,0.1081970191,0.1081970191,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Zr,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Mg-Na-O-S-Si-Zr +mp-2714454,Na6MgZr3Si4(SO12)2,-7.4525435464,-2.8557126808,0.089472009,0.089472009,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Zr,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Mg-Na-O-S-Si-Zr +mp-2714159,Na14Mg5Zr3Si6(SO8)6,-6.8655899008,-2.6342298792000003,0.1077751677,0.1077751677,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Zr,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Mg-Na-O-S-Si-Zr +mp-2712628,Na6Mg3ZrSi2(SO6)4,-6.7132049818,-2.5281885533,0.101041928,0.101041928,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Zr,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-S-Si-Zr +mp-2715575,Na14Mg4Zr4Si7S5O48,-7.0610192906,-2.7292167234,0.0870931624,0.0870931624,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Zr,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Mg-Na-O-S-Si-Zr +mp-2714695,Na6MgZr7Si6(SO8)6,-7.7660297365,-2.8446648481,0.0710884693,0.0710884693,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Zr,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Mg-Na-O-S-Si-Zr +mp-2714985,Na8Mg3ZrSi3(SO8)3,-6.6748128544,-2.5954181904,0.0963064014,0.0963064014,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Zr,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Mg-Na-O-S-Si-Zr +mp-2714080,Na2Mg4Zr4SiS11O48,-7.2208154903,-2.483611233,0.0170244927,0.0170244927,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Zr,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Mg-Na-O-S-Si-Zr +mp-2714179,Na2Mg3Zr(SO4)6,-6.8157551934,-2.3842879813,0.0,-0.0003706768,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Zr,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Mg-Na-O-S-Zr +mp-2714412,Na4MgZrSi2SO12,-7.0262139444,-2.7507171674,0.0842313912,0.0842313912,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Mg-Na-O-S-Si-Zr,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Mg-Na-O-S-Si-Zr, expected Na14MgZrSi7SO60 to be Na4MgZrSi2SO12" +mp-2713459,Na4Mg3ZrSiS5O24,-6.7704975191,-2.4687412457,0.0551738482,0.0551738482,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Zr,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Mg-Na-O-S-Si-Zr +mp-2715878,Na6Mg2Zr6Si5S7O48,-7.5418232157,-2.7317595265,0.0955455266,0.0955455266,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Zr,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Mg-Na-O-S-Si-Zr +mp-2712794,Na6Mg6Zr2SiS11O48,-6.7977237608,-2.4328648686,0.0246446734,0.0246446734,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Zr,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Mg-Na-O-S-Si-Zr +mp-2713226,Na2MgZrSi(SO6)2,-7.1258674714,-2.6073667574,0.0983475932,0.0983475932,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Mg-Na-O-S-Si-Zr,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Mg-Na-O-S-Si-Zr, expected Na2MgZrSiS3O20 to be Na2MgZrSi(SO6)2" +mp-2716268,Na6Mg2Zr2Si3(SO8)3,-7.0634658113,-2.6725421643,0.1203176059,0.1203176059,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Zr,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Mg-Na-O-S-Si-Zr +mp-2715985,Na14Mg6Zr2Si5S7O48,-6.6884521611,-2.5575346851000003,0.110165523,0.110165523,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Zr,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Mg-Na-O-S-Si-Zr +mp-2716442,Na2Mg2Zr6Si3(S3O16)3,-7.625763607,-2.6532368142,0.0320842401,0.0320842401,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Zr,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Mg-Na-O-S-Si-Zr +mp-2714886,Na2Mg5Zr3(SO4)12,-7.023664636,-2.4041216465,0.0,-0.0013989005,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Zr,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Mg-Na-O-S-Zr +mp-2714930,Na10Mg4Zr4Si5S7O48,-7.0940731946,-2.6409966175,0.1140641046,0.1140641046,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Zr,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Mg-Na-O-S-Si-Zr +mp-2713165,NaTaIn(PO4)3,-7.8497400524,-2.7646201242,0.0243546765,0.0243546765,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:In-Na-O-P-Ta,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:In-Na-O-P-Ta, expected NaTaIn(PO12)3 to be NaTaIn(PO4)3" +mp-2715679,Na2Ta3InSi2(PO6)4,-8.3000311238,-2.9612966137,0.0179406392,0.0179406392,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:In-Na-O-P-Si-Ta,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:In-Na-O-P-Si-Ta +mp-2715648,Na8TaIn3Si4(PO12)2,-7.0005465944,-2.6686076093,0.0349801881,0.0349801881,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:In-Na-O-P-Si-Ta,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:In-Na-O-P-Si-Ta +mp-2716281,Na5Ta3InSi5PO24,-8.0009214298,-2.9702018192,0.0331618274,0.0331618274,GGA,P1,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:In-Na-O-P-Si-Ta,117.0,AB5C24DE5F3_aP117_1_3a_15a_72a_3a_15a_9a:In-Na-O-P-Si-Ta +mp-2713016,Na3Ta3InSi3(PO8)3,-8.1959791022,-2.9654660432,0.0274419219,0.0274419219,GGA,P1,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-P-Si-Ta,111.0,AB3C24D3E3F3_aP111_1_3a_9a_72a_9a_9a_9a:In-Na-O-P-Si-Ta +mp-2716086,Na5TaIn3SiP5O24,-7.2144215674,-2.6519134925,0.0373228058,0.0373228058,GGA,P1,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:In-Na-O-P-Si-Ta,117.0,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:In-Na-O-P-Si-Ta +mp-2713746,Ta3In(PO4)6,-8.479793909,-2.9055185934,0.0,-0.0093850413,GGA,P3,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:In-O-P-Ta,102.0,AB24C6D3_hP102_143_2ab_24d_6d_2a3b4c:In-O-P-Ta +mp-2715052,Na4Ta3InSi4(PO12)2,-8.0947180144,-2.9667305408,0.0335586411,0.0335586411,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:In-Na-O-P-Si-Ta,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:In-Na-O-P-Si-Ta +mp-2713619,Na4TaIn3(PO4)6,-7.2892534481,-2.6417988664000003,0.0207619089,0.0207619089,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:In-Na-O-P-Ta,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:In-Na-O-P-Ta +mp-2714500,Na7Ta2In2Si5PO24,-7.4190186198,-2.7912863881,0.0562154211,0.0562154211,GGA,P1,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:In-Na-O-P-Si-Ta,123.0,A2B7C24DE5F2_aP123_1_6a_21a_72a_3a_15a_6a:In-Na-O-P-Si-Ta +mp-2712650,Na2TaInSi(PO6)2,-7.6641768991,-2.7764558715,0.0606205804,0.0606205804,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:In-Na-O-P-Si-Ta,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_72a_10a_3a_3a:In-Na-O-P-Si-Ta, expected Na6Ta3In3Si3(P5O36)2 to be Na2TaInSi(PO6)2" +mp-2713093,Na3Ta2In2SiP5O24,-7.7550615926,-2.7713086674,0.0482548885,0.0482548885,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-Si-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-Si-Ta +mp-2715749,NaTa3InSiP5O24,-8.403952841,-2.9508127969,0.0077482011,0.0077482011,GGA,P1,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:In-Na-O-P-Si-Ta,105.0,ABC24D5EF3_aP105_1_3a_3a_72a_15a_3a_9a:In-Na-O-P-Si-Ta +mp-2714305,Na5Ta2In2Si3(PO8)3,-7.5750009901,-2.7783871473,0.0698769391,0.0698769391,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:In-Na-O-P-Si-Ta,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:In-Na-O-P-Si-Ta +mp-2713732,Na2Ta5In3(PO4)12,-8.1688826274,-2.8461729396,0.0,-0.0005911538,GGA,P1,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:In-Na-O-P-Ta,210.0,A3B2C48D12E5_aP210_1_9a_6a_144a_36a_15a:In-Na-O-P-Ta +mp-2715250,Na6TaIn3Si2(PO6)4,-7.1398175985,-2.6580087051,0.0421894506,0.0421894506,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:In-Na-O-P-Si-Ta,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:In-Na-O-P-Si-Ta, expected Na12TaIn6Si4(PO6)8 to be Na6TaIn3Si2(PO6)4" +mp-2715278,Na6TaIn3Si2(PO6)4,-7.1421872631,-2.6603783696,0.039819786,0.039819786,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:In-Na-O-P-Si-Ta,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:In-Na-O-P-Si-Ta +mp-2716470,Na10TaIn7(PO4)12,-7.0279729682,-2.5825177772,0.0216980633,0.0216980633,GGA,P1,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:In-Na-O-P-Ta,234.0,A7B10C48D12E_aP234_1_21a_30a_144a_36a_3a:In-Na-O-P-Ta +mp-2715241,Na3TaInSi2PO12,-7.4960896904,-2.7860276733,0.0652046214,0.0652046214,GGA,Cc,AB3C12DE2F_mC240_9_3a_9a_36a_3a_6a_3a:In-Na-O-P-Si-Ta,240.0,"Invalid WP multiplicities - AB3C12DE2F_mC240_9_10a_30a_132a_10a_22a_10a:In-Na-O-P-Si-Ta, expected Na15Ta5In5Si11P5O66 to be Na3TaInSi2PO12" +mp-2715252,Na3TaInSi2PO12,-7.4939739798,-2.7839119627,0.0673203319,0.0673203319,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:In-Na-O-P-Si-Ta,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_12a_a:In-Na-O-P-Si-Ta, expected Na13TaInSi12PO72 to be Na3TaInSi2PO12" +mp-2714960,Na7TaIn3Si3(PO8)3,-7.0642496812,-2.6592034238,0.0473185605,0.0473185605,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:In-Na-O-P-Si-Ta,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:In-Na-O-P-Si-Ta +mp-2714867,Na6Ta3In5(PO4)12,-7.5656290629,-2.7052562045,0.0188032858,0.0188032858,GGA,P1,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:In-Na-O-P-Ta,222.0,A5B6C48D12E3_aP222_1_15a_18a_144a_36a_9a:In-Na-O-P-Ta +mp-2712907,Na6Zr4Ti4Si7S5O48,-7.8752046324,-2.8777930644,0.066800626,0.066800626,GGA,P1,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Zr,222.0,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Zr +mp-2712525,Na2ZrTiSi2SO12,-7.8374673338,-2.9198045077,0.0880789073,0.0880789073,GGA,P1,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Ti-Zr,114.0,A2B12CD2EF_aP114_1_12a_72a_6a_12a_6a_6a:Na-O-S-Si-Ti-Zr +mp-2716185,Na2Zr4Ti4Si5S7O48,-7.9440795427,-2.7734992779,0.0325752961,0.0325752961,GGA,P1,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Zr,210.0,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Zr +mp-2714129,Na10Zr4Ti4Si9(SO16)3,-7.7969975475,-2.9549937843,0.0782220069,0.0782220069,GGA,P1,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Ti-Zr,234.0,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Ti-Zr +mp-2713889,Na6Zr2Ti2Si5SO24,-7.7641094082,-2.9939817546,0.0586384256,0.0586384256,GGA,P1,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Ti-Zr,120.0,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Ti-Zr +mp-2713397,Na2Zr2Ti2Si3(SO8)3,-7.9137756844,-2.8321848889,0.0456029811,0.0456029811,GGA,P1,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Zr,108.0,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Zr +mp-2714431,Na14Zr4Ti4Si11SO48,-7.7289702135,-3.027212518,0.0427336332,0.0427336332,GGA,P1,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Ti-Zr,246.0,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Ti-Zr +mp-2713214,ZrTiSi(SO6)2,-7.9801800299,-2.7153756213,0.0147672276,0.0147672276,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Ti-Zr,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-S-Si-Ti-Zr +mp-766008,Li4Ti2Fe3Ni3O16,-6.9598767782,-1.7697279014,0.2396185911,0.2396185911,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Ni-O-Ti, expected Li4Ti2Fe3Ni3O20 to be Li4Ti2Fe3Ni3O16" +mp-1177299,Li4TiFe2Ni3(PO4)6,-7.46294653,-2.4376470287,0.0753804788,0.0753804788,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Ti,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Fe-Li-Ni-O-P-Ti +mp-759701,Li4Ti3Fe2Ni3O16,-7.32767827,-2.158048293,0.0745464856,0.0745464856,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Fe-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Fe-Li-Ni-O-Ti, expected Li4Ti3Fe2Ni3O20 to be Li4Ti3Fe2Ni3O16" +mp-778326,Ti3FeNi2(PO4)6,-8.1219335425,-2.7075692444,0.0271545458,0.0271545458,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Fe-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_22b_2b_3a:Fe-Ni-O-P-Ti, expected Ti3FeNi2(PO11)6 to be Ti3FeNi2(PO4)6" +mp-775984,TiFe3Ni2(PO4)6,-7.8356062269,-2.3893236404,0.0224654523,0.0224654523,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_22b_2b_a:Fe-Ni-O-P-Ti, expected TiFe3Ni2(PO11)6 to be TiFe3Ni2(PO4)6" +mp-775987,Ti3Fe2Ni(PO4)6,-8.2296813875,-2.7405980747000003,0.0175345809,0.0175345809,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Fe-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_22b_3b_3a:Fe-Ni-O-P-Ti, expected Ti3Fe2Ni(P3O22)3 to be Ti3Fe2Ni(PO4)6" +mp-776008,TiFe2Ni3(PO4)6,-7.6496830972,-2.2781195254,0.0860451936,0.0860451936,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Ni-O-P-Ti,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Fe-Ni-O-P-Ti, expected TiFe2Ni3(PO11)6 to be TiFe2Ni3(PO4)6" +mp-780404,Li4Ti3Fe3(NiO8)2,-7.4793498429,-2.2136525612,0.0836330984,0.0836330984,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Ni-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Ni-O-Ti, expected Li4Ti3Fe3(NiO10)2 to be Li4Ti3Fe3(NiO8)2" +mp-1222973,Mg2Al2SiH4O9,-6.7966455014000005,-2.6739714808,0.0,-0.0265285659,GGA,P2_1,A2B4C2D9E_mP36_4_2a_4a_2a_9a_a:Al-H-Mg-O-Si,36.0,"Invalid WP multiplicities - A2B4C2D9E_mP36_4_2a_7a_2a_17a_a:Al-H-Mg-O-Si, expected Mg2Al2SiH7O17 to be Mg2Al2SiH4O9" +mp-1210694,MgAl2SiHO7,-7.2280096265,-2.8499848961,0.1399401549,0.1399401549,GGA,C2/c,A2BCD7E_mC96_15_cef_f_f_7f_f:Al-H-Mg-O-Si,48.0,A2BCD7E_mC96_15_cef_f_f_7f_f:Al-H-Mg-O-Si +mp-1222471,Mg7TiAl6Si8(H4O19)2,-7.3392631882,-2.926183321,0.0481424361,0.0481424361,GGA,P3,A6B8C7D38E8F_hP68_143_2d_ab2d_c2d_ab12d_ab2d_c:Al-H-Mg-O-Si-Ti,68.0,A6B8C7D38E8F_hP68_143_2d_ab2d_c2d_ab12d_ab2d_c:Al-H-Mg-O-Si-Ti +mp-775323,Li4Mn3CuNi2(PO4)6,-7.37966701,-2.3301279729,0.0833945684,0.0833945684,GGA+U,P1,AB4C3D2E24F6_aP40_1_a_4a_3a_2a_24a_6a:Cu-Li-Mn-Ni-O-P,40.0,AB4C3D2E24F6_aP40_1_a_4a_3a_2a_24a_6a:Cu-Li-Mn-Ni-O-P +mp-1221799,Mn3Cu2NiO8,-7.3475580043,-1.559121891,0.0085437548,0.0085437548,GGA+U,R-3m,A2B3CD8_hR42_166_c_d_a_ch:Cu-Mn-Ni-O,14.0,"Invalid WP multiplicities - A2B3CD8_hR42_166_c_d_a_2c2h:Cu-Mn-Ni-O, expected Mn3Cu2NiO16 to be Mn3Cu2NiO8" +mp-772496,Mn3CuNi2(PO4)6,-7.5704830194,-2.1719866301,0.0452396072,0.0452396072,GGA+U,R3,AB3C2D24E6_hR108_146_a_3a_2a_8b_2b:Cu-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - AB3C2D24E6_hR108_146_a_3a_2a_22b_2b:Cu-Mn-Ni-O-P, expected Mn3CuNi2(PO11)6 to be Mn3CuNi2(PO4)6" +mp-780130,Mn3Cu2Ni(PO4)6,-7.4782197958,-2.1264159068,0.0655124168,0.0655124168,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cu-Mn-Ni-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_2b:Cu-Mn-Ni-O-P, expected Mn3Cu2Ni(PO11)6 to be Mn3Cu2Ni(PO4)6" +mp-2712544,Na6Sc4Zn4SiS11O48,-6.7318898518,-2.3174124555,0.0364306102,0.0364306102,GGA,P1,A6B48C11D4EF4_aP222_1_18a_144a_33a_12a_3a_12a:Na-O-S-Sc-Si-Zn,222.0,A6B48C11D4EF4_aP222_1_18a_144a_33a_12a_3a_12a:Na-O-S-Sc-Si-Zn +mp-2715015,Na8Sc2Zn2Si3(SO8)3,-6.6318965679,-2.5087903646000003,0.1090905184,0.1090905184,GGA,P1,A8B24C3D2E3F2_aP126_1_24a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Zn,126.0,A8B24C3D2E3F2_aP126_1_24a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Zn +mp-2715935,Na14Sc4Zn4Si5S7O48,-6.6539118691,-2.4782167188,0.1082949872,0.1082949872,GGA,P1,A14B48C7D4E5F4_aP246_1_42a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Zn,246.0,A14B48C7D4E5F4_aP246_1_42a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Zn +mp-2714151,NaScZn(SO4)3,-6.752600671,-2.270136663,0.0067805761,0.0067805761,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-S-Sc-Zn,108.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_12b_b_a_a:Na-O-S-Sc-Zn, expected NaScZn(SO12)3 to be NaScZn(SO4)3" +mp-2714885,NaSc3Zn(SO4)6,-7.1328929514,-2.415209966,0.0091973652,0.0091973652,GGA,P3,AB24C6D3E_hP105_143_2ab_24d_6d_3a2b4c_a2b:Na-O-S-Sc-Zn,105.0,AB24C6D3E_hP105_143_2ab_24d_6d_3a2b4c_a2b:Na-O-S-Sc-Zn +mp-2712585,Na3ScZnSi(SO6)2,-6.673517915,-2.4426043703,0.0912274925,0.0912274925,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-S-Sc-Si-Zn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_12a_60a_9a_3a_3a_3a:Na-O-S-Sc-Si-Zn, expected Na4ScZnSiS3O20 to be Na3ScZnSi(SO6)2" +mp-2713134,Na4Sc2Zn2SiS5O24,-6.7112478394,-2.3611788121,0.0589754942,0.0589754942,GGA,P1,A4B24C5D2EF2_aP114_1_12a_72a_15a_6a_3a_6a:Na-O-S-Sc-Si-Zn,114.0,A4B24C5D2EF2_aP114_1_12a_72a_15a_6a_3a_6a:Na-O-S-Sc-Si-Zn +mp-2714808,Na10Sc4Zn4Si3(S3O16)3,-6.6808567911,-2.3918931395,0.0865573496,0.0865573496,GGA,P1,A10B48C9D4E3F4_aP234_1_30a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Zn,234.0,A10B48C9D4E3F4_aP234_1_30a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Zn +mp-2714039,Na7Sc3ZnSi3(SO8)3,-6.9795239382,-2.6643858714,0.0922638649,0.0922638649,GGA,P1,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Zn,123.0,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-S-Sc-Si-Zn +mp-2715215,Na3ScZn3(SO4)6,-6.3753429827,-2.1153834128,0.0220161716,0.0220161716,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-S-Sc-Zn,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-S-Sc-Zn +mp-1048447,Ba2YMn2TlO7,-7.5531479554,-2.5056159782,0.0800158266,0.0800158266,GGA+U,P4/mmm,A2B2C7DE_tP13_123_g_h_ahi_c_b:Ba-Mn-O-Tl-Y,13.0,"Invalid WP multiplicities - A2B2C7DE_tP13_123_g_h_a2h2i_c_b:Ba-Mn-O-Tl-Y, expected Ba2YMn2TlO13 to be Ba2YMn2TlO7" +mp-2228455,Ba2YMgMn2TlO7,-7.2116228221,-2.4103231255,0.2271174645,0.2271174645,GGA+U,Pmm2,A2BC2D7EF_oP14_25_2b_a_2c_2ab2c2d_c_b:Ba-Mg-Mn-O-Tl-Y,14.0,A2BC2D7EF_oP14_25_2b_a_2c_2ab2c2d_c_b:Ba-Mg-Mn-O-Tl-Y +mp-2228460,Ba2YMgMn2TlO7,-7.0406471686,-2.2393474719,0.3980931181,0.3980931181,GGA+U,P4/mmm,A2BC2D7EF_tP14_123_h_a_g_dgi_b_c:Ba-Mg-Mn-O-Tl-Y,14.0,"Invalid WP multiplicities - A2BC2D7EF_tP14_123_h_a_g_d2g2i_b_c:Ba-Mg-Mn-O-Tl-Y, expected Ba2YMgMn2TlO13 to be Ba2YMgMn2TlO7" +mp-1037247,YMg30BiO32,-6.2744837675,-2.8899618846,0.149989425,0.149989425,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Bi-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Bi-Mg-O-Y, expected YMg110BiO72 to be YMg30BiO32" +mp-1037235,YMg30BiO32,-6.2702857208000005,-2.8857638379,0.1541874717,0.1541874717,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Bi-Mg-O-Y,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Bi-Mg-O-Y, expected YMg90BiO80 to be YMg30BiO32" +mp-2242083,BaYMgCuBiO5,-6.600391276,-2.33450473,0.3042883037,0.3042883037,GGA,P4mm,ABCDE5F_tP10_99_b_a_a_a_a2c_b:Ba-Bi-Cu-Mg-O-Y,10.0,ABCDE5F_tP10_99_b_a_a_a_a2c_b:Ba-Bi-Cu-Mg-O-Y +mp-1022623,YMg6Bi,-2.5947273875,-0.1061473196,0.1382311557,0.1382311557,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Bi-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Bi-Mg-Y, expected YMg12Bi to be YMg6Bi" +mp-1022634,YMg6Bi,-2.5797202512,-0.0911401833,0.1532382919,0.1532382919,GGA,Amm2,AB6C_oC16_38_a_abde_b:Bi-Mg-Y,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Bi-Mg-Y, expected YMg12Bi to be YMg6Bi" +mp-1233781,Y4Mg(BiO3)4,-7.4909950429,-2.6248814448,0.2169036661,0.2169036661,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Mg-O-Y,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Mg-O-Y +mp-1233015,Y4Mg(BiO3)4,-7.383242411,-2.5171288129,0.324656298,0.324656298,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Bi-Mg-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Bi-Mg-O-Y, expected Y4Mg(BiO3)6 to be Y4Mg(BiO3)4" +mp-1233132,Y4Mg(BiO3)4,-7.4026700567,-2.5365564587,0.3052286523,0.3052286523,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Bi-Mg-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Bi-Mg-O-Y, expected Y4Mg(BiO3)6 to be Y4Mg(BiO3)4" +mp-1035886,YMg14BiO16,-6.2251031084,-2.7295437233,0.2963185965,0.2963185965,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Bi-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Bi-Mg-O-Y, expected YMg18BiO20 to be YMg14BiO16" +mp-1035862,YMg14BiO16,-6.2355259962,-2.7399666111,0.2858957087,0.2858957087,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Bi-Mg-O-Y,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Bi-Mg-O-Y, expected YMg30BiO32 to be YMg14BiO16" +mp-1027953,YMg14Bi,-2.1008834575,-0.0564533985,0.0762289862,0.0762289862,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Bi-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Bi-Mg-Y, expected YMg18Bi to be YMg14Bi" +mp-1027949,YMg14Bi,-2.0659796544,-0.0215495954,0.1111327893,0.1111327893,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Bi-Mg-Y,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Bi-Mg-Y, expected YMg26Bi to be YMg14Bi" +mp-1031973,YMg6BiO8,-6.1776310612,-2.4599966717,0.5376876687000001,0.5376876687000001,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Bi-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Bi-Mg-O-Y, expected YMg6BiO12 to be YMg6BiO8" +mp-1031997,YMg6BiO8,-6.207956275,-2.4903218854,0.507362455,0.507362455,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Bi-Mg-O-Y,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Bi-Mg-O-Y, expected YMg6BiO12 to be YMg6BiO8" +mp-2227127,Ba2YMgBiO6,-6.6807956209,-2.5512208536000003,0.3654741195,0.3654741195,GGA,Immm,A2BCD6E_oI22_71_f_a_c_el_b:Ba-Bi-Mg-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_oI22_71_f_a_c_2e2l_b:Ba-Bi-Mg-O-Y, expected Ba2YMgBiO12 to be Ba2YMgBiO6" +mp-2217325,Ba2YMgBiO6,-6.8293007227,-2.6997259554,0.2169690177,0.2169690177,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Bi-Mg-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_4b_a:Ba-Bi-Mg-O-Y, expected Ba2YMgBiO12 to be Ba2YMgBiO6" +mp-2217356,Ba2YMgBiO6,-6.7559085982,-2.6263338308,0.2903611423,0.2903611423,GGA,R3m,A2BCD6E_hR33_160_2a_a_a_2b_a:Ba-Bi-Mg-O-Y,11.0,"Invalid WP multiplicities - A2BCD6E_hR33_160_2a_a_a_3b_a:Ba-Bi-Mg-O-Y, expected Ba2YMgBiO9 to be Ba2YMgBiO6" +mp-2218103,Y2MgBi2O7,-7.4577417217,-2.7209899287,0.1355135032,0.1355135032,GGA,P1,A2BC7D2_aP12_1_2a_a_7a_2a:Bi-Mg-O-Y,12.0,A2BC7D2_aP12_1_2a_a_7a_2a:Bi-Mg-O-Y +mp-2218132,Y2MgBi2O7,-7.4211469017,-2.6843951087,0.1721083232,0.1721083232,GGA,Cm,A2BC7D2_mC24_8_2a_a_3a2b_b:Bi-Mg-O-Y,12.0,A2BC7D2_mC24_8_2a_a_3a2b_b:Bi-Mg-O-Y +mp-1042214,BaYCuBiO5,-6.9414500444,-2.3793849989,0.0851586789,0.0851586789,GGA,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Bi-Cu-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Bi-Cu-O-Y +mp-1223597,KCa3Mg3Al(SiO3)8,-7.7285792962,-3.2836620993,0.0347707573,0.0347707573,GGA,P2,AB3CD3E24F8_mP40_3_a_abd_c_bcd_12e_4e:Al-Ca-K-Mg-O-Si,40.0,"Invalid WP multiplicities - AB3CD3E24F8_mP40_3_a_acd_b_bcd_24e_8e:Al-Ca-K-Mg-O-Si, expected KCa3Mg3Al(SiO3)16 to be KCa3Mg3Al(SiO3)8" +mp-686653,KMg4Al9(SiO4)9,-7.8456097039,-3.3010273735,0.0215679176,0.0215679176,GGA,P1,A9BC4D36E9_aP59_1_9a_a_4a_36a_9a:Al-K-Mg-O-Si,59.0,A9BC4D36E9_aP59_1_9a_a_4a_36a_9a:Al-K-Mg-O-Si +mp-720328,KMg8Al17Si19O72,-7.8658330846,-3.2775419886,0.0506205734,0.0506205734,GGA,P1,A17BC8D72E19_aP117_1_17a_a_8a_72a_19a:Al-K-Mg-O-Si,117.0,A17BC8D72E19_aP117_1_17a_a_8a_72a_19a:Al-K-Mg-O-Si +mp-534793,KCa5Mg5Al(SiO3)12,-7.7379997343,-3.3034999945,0.0246709269,0.0246709269,GGA,C2,AB5CD5E36F12_mC120_5_a_b2c_a_b2c_18c_6c:Al-Ca-K-Mg-O-Si,60.0,"Invalid WP multiplicities - AB5CD5E36F12_mC120_5_a_b4c_a_b4c_34c_10c:Al-Ca-K-Mg-O-Si, expected KCa9Mg9Al(Si5O17)4 to be KCa5Mg5Al(SiO3)12" +mp-1223539,KMg3Al(SiO4)3,-7.2293295725,-2.9646778949,0.0921350147,0.0921350147,GGA,P1,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Al-K-Mg-O-Si,20.0,ABC3D12E3_aP20_1_a_a_3a_12a_3a:Al-K-Mg-O-Si +mp-1210899,Na2CaSi10(H3O10)2,-6.9302556278,-2.361179698,0.284430021,0.284430021,GGA,Pmna,AB6C2D20E10_oP78_53_a_f2h_h_eh4i_g2i:Ca-H-Na-O-Si,78.0,AB6C2D20E10_oP78_53_a_f2h_h_eh4i_g2i:Ca-H-Na-O-Si +mp-23792,NaCa2Si3HO9,-7.4507585709,-3.1055958466,0.0,-0.0130100379,GGA,P-1,A2BCD9E3_aP32_2_2i_i_i_9i_3i:Ca-H-Na-O-Si,32.0,"Invalid WP multiplicities - A2BCD9E3_aP32_2_2i_i_i_9i_5i:Ca-H-Na-O-Si, expected NaCa2Si5HO9 to be NaCa2Si3HO9" +mp-634418,NaCaSiHO4,-6.7749651056,-2.7833495939,0.0,-0.0067548439,GGA,P2_1,ABCD4E_mP16_4_a_a_a_4a_a:Ca-H-Na-O-Si,16.0,ABCD4E_mP16_4_a_a_a_4a_a:Ca-H-Na-O-Si +mp-1194879,CaZrSi6H4O17,-7.7919589079,-2.9378271506,0.0108053867,0.0108053867,GGA,C2/m,AB4C17D6E_mC116_12_i_2j_g4i6j_3j_f:Ca-H-O-Si-Zr,58.0,AB4C17D6E_mC116_12_i_2j_g4i6j_3j_e:Ca-H-O-Si-Zr +mp-1227600,CaZrSi3H4O11,-7.522790206,-2.7821034758,0.0227992632,0.0227992632,GGA,Pnna,AB4C11D3E_oP80_52_a_2e_d5e_de_c:Ca-H-O-Si-Zr,80.0,AB4C11D3E_oP80_52_a_2e_d5e_de_c:Ca-H-O-Si-Zr +mp-1212565,Na2CaZr2Si10HO26,-8.0497854708,-3.097264886,0.1255729348,0.1255729348,GGA,Cc,ABC2D26E10F2_mC168_9_a_a_2a_26a_10a_2a:Ca-H-Na-O-Si-Zr,84.0,ABC2D26E10F2_mC168_9_a_a_2a_26a_10a_2a:Ca-H-Na-O-Si-Zr +mp-1214069,CaZrSi6H2O15,-7.8557297166,-2.8920900586,0.2206307197,0.2206307197,GGA,C2,AB2C15D6E_mC100_5_c_2c_2a14c_6c_c:Ca-H-O-Si-Zr,50.0,AB2C15D6E_mC100_5_c_2c_2a14c_6c_c:Ca-H-O-Si-Zr +mp-2715919,Na10Sc4Si7Ge4S5O48,-7.0940985133,-2.5665629433,0.1440563733,0.1440563733,GGA,P1,A4B10C48D5E4F7_aP234_1_12a_30a_144a_15a_12a_21a:Ge-Na-O-S-Sc-Si,234.0,A4B10C48D5E4F7_aP234_1_12a_30a_144a_15a_12a_21a:Ge-Na-O-S-Sc-Si +mp-2716048,Na6Sc4Si5Ge4S7O48,-7.1421642238,-2.4762191297,0.1236484155,0.1236484155,GGA,P1,A4B6C48D7E4F5_aP222_1_12a_18a_144a_21a_12a_15a:Ge-Na-O-S-Sc-Si,222.0,A4B6C48D7E4F5_aP222_1_12a_18a_144a_21a_12a_15a:Ge-Na-O-S-Sc-Si +mp-2714525,Na3ScSi2GeSO12,-7.0875489984,-2.6240278333,0.1302364806,0.1302364806,GGA,Cc,AB3C12DEF2_mC80_9_a_3a_12a_a_a_2a:Ge-Na-O-S-Sc-Si,120.0,"Invalid WP multiplicities - AB3C12DEF2_mC80_9_a_13a_72a_a_a_7a:Ge-Na-O-S-Sc-Si, expected Na13ScSi7GeSO72 to be Na3ScSi2GeSO12" +mp-2713011,Sc2SiGe2S5O24,-7.1684266825,-2.2643357898,0.0523887893,0.0523887893,GGA,P1,A2B24C5D2E_aP102_1_6a_72a_15a_6a_3a:Ge-O-S-Sc-Si,102.0,A2B24C5D2E_aP102_1_6a_72a_15a_6a_3a:Ge-O-S-Sc-Si +mp-2716244,Na8Sc2Si5Ge2SO24,-7.0609687936,-2.7163315232,0.0805096787,0.0805096787,GGA,P1,A2B8C24DE2F5_aP126_1_6a_24a_72a_3a_6a_15a:Ge-Na-O-S-Sc-Si,126.0,A2B8C24DE2F5_aP126_1_6a_24a_72a_3a_6a_15a:Ge-Na-O-S-Sc-Si +mp-2712555,NaScSiGe(SO6)2,-7.1464959132,-2.4055789937,0.13403343,0.13403343,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ge-Na-O-S-Sc-Si,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ge-Na-O-S-Sc-Si, expected NaScSiGeS3O20 to be NaScSiGe(SO6)2" +mp-2716574,Na3ScSi3Ge3(SO8)3,-7.006877525,-2.3697164085,0.151076148,0.151076148,GGA,P1,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Ge-Na-O-S-Sc-Si,111.0,A3B3C24D3EF3_aP111_1_9a_9a_72a_9a_3a_9a:Ge-Na-O-S-Sc-Si +mp-2716443,Na2Sc4Si3Ge4(S3O16)3,-7.1528154931,-2.3326426437,0.1171266573,0.1171266573,GGA,P1,A4B2C48D9E4F3_aP210_1_12a_6a_144a_27a_12a_9a:Ge-Na-O-S-Sc-Si,210.0,A4B2C48D9E4F3_aP210_1_12a_6a_144a_27a_12a_9a:Ge-Na-O-S-Sc-Si +mp-2714849,Na14Sc4Si9Ge4(SO16)3,-7.0765772138,-2.6739477996,0.1043818969,0.1043818969,GGA,P1,A4B14C48D3E4F9_aP246_1_12a_42a_144a_9a_12a_27a:Ge-Na-O-S-Sc-Si,246.0,A4B14C48D3E4F9_aP246_1_12a_42a_144a_9a_12a_27a:Ge-Na-O-S-Sc-Si +mp-2713516,Na5Sc3Si3Ge(SO8)3,-7.2256609497,-2.6708175036,0.1129037247,0.1129037247,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-S-Sc-Si,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-S-Sc-Si +mp-2713721,Na4Sc2Si3Ge2(SO8)3,-7.1100246819,-2.5151055279,0.1418458167,0.1418458167,GGA,P1,A2B4C24D3E2F3_aP114_1_6a_12a_72a_9a_6a_9a:Ge-Na-O-S-Sc-Si,114.0,A2B4C24D3E2F3_aP114_1_6a_12a_72a_9a_6a_9a:Ge-Na-O-S-Sc-Si +mp-2716298,K3NaZr2(SiO4)3,-7.7587258766,-3.1213286376,0.0237466462,0.0237466462,GGA,R-3c,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Zr,126.0,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Zr +mp-17208,K2Li14Zr3O14,-6.3246044758,-2.5718026008,0.0,-0.012748756,GGA,Immm,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:K-Li-O-Zr,33.0,"Invalid WP multiplicities - A2B14C14D3_oI66_71_f_hl2o_e3lm_ai:K-Li-O-Zr, expected K2Li22Zr3O18 to be K2Li14Zr3O14" +mp-16055,KLi3Zr2(Si2O5)6,-8.2057952823,-3.2591901468,0.0,-0.0139599339,GGA,P6/mcc,AB3C30D12E2_hP96_192_a_f_l2m_m_c:K-Li-O-Si-Zr,96.0,"Invalid WP multiplicities - AB3C30D12E2_hP96_192_a_f_l7m_m_c:K-Li-O-Si-Zr, expected KLi3Zr2(Si2O15)6 to be KLi3Zr2(Si2O5)6" +mp-851120,KNa2Li3Zr2(Si2O5)6,-7.9024988294,-3.1008568876,0.0581871187,0.0581871187,GGA,P6/mcc,AB3C2D30E12F2_hP100_192_a_f_d_l2m_m_c:K-Li-Na-O-Si-Zr,100.0,"Invalid WP multiplicities - AB3C2D30E12F2_hP100_192_a_f_d_8l17m_m_c:K-Li-Na-O-Si-Zr, expected KNa2Li3Zr2(SiO21)12 to be KNa2Li3Zr2(Si2O5)6" +mp-15543,NaLiZr(Si2O5)3,-8.181124094,-3.2423162757,0.0,-0.0117148052,GGA,Cmce,ABC15D6E_oC192_64_d_e_3f6g_3g_e:Li-Na-O-Si-Zr,96.0,"Invalid WP multiplicities - ABC15D6E_oC192_64_d_e_4f12g_9g_e:Li-Na-O-Si-Zr, expected NaLiZr(Si9O14)2 to be NaLiZr(Si2O5)3" +mp-851118,KNa2LiZr2(Si2O5)6,-8.1423164248,-3.2201445215,0.0148983547,0.0148983547,GGA,Cccm,ABC2D30E12F2_oC192_66_a_b_l_3l6m_3m_g:K-Li-Na-O-Si-Zr,96.0,"Invalid WP multiplicities - ABC2D30E12F2_oC192_66_a_b_l_10l23m_9m_g:K-Li-Na-O-Si-Zr, expected KNa2LiZr2(Si9O28)4 to be KNa2LiZr2(Si2O5)6" +mp-1204585,Ba4NaAl2B8(ClO6)3,-7.6516472275,-3.0819050702,0.0,-0.0108563498,GGA,P4_2nm,A2B8C4D3EF18_tP72_102_c_2cd_d_ab_a_3c3d:Al-B-Ba-Cl-Na-O,72.0,A2B8C4D3EF18_tP72_102_c_2cd_d_ab_a_3c3d:Al-B-Ba-Cl-Na-O +mp-2715592,Na7Zn2SiGe2P5O24,-6.6441742182,-2.4433064227,0.1016447603,0.1016447603,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ge-Na-O-P-Si-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ge-Na-O-P-Si-Zn +mp-2715239,Na6ZnSi2Ge3(PO6)4,-6.8401953036,-2.4829864513,0.0905044279,0.0905044279,GGA,P1,A3B6C24D4E2F_aP40_1_3a_6a_24a_4a_2a_a:Ge-Na-O-P-Si-Zn,80.0,"Invalid WP multiplicities - A3B6C24D4E2F_aP40_1_6a_12a_48a_8a_4a_a:Ge-Na-O-P-Si-Zn, expected Na12ZnSi4Ge6(PO6)8 to be Na6ZnSi2Ge3(PO6)4" +mp-2715511,Na6ZnSi2Ge3(PO6)4,-6.8437495725,-2.4865407202,0.086950159,0.086950159,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ge-Na-O-P-Si-Zn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ge-Na-O-P-Si-Zn +mp-2715429,Na3ZnGe(PO4)3,-6.6995459786,-2.4270200086,0.0793658322,0.0793658322,GGA,Cc,AB3C12D3E_mC240_9_3a_9a_36a_9a_3a:Ge-Na-O-P-Zn,120.0,"Invalid WP multiplicities - AB3C12D3E_mC240_9_3a_14a_72a_18a_3a:Ge-Na-O-P-Zn, expected Na14Zn3Ge3(PO4)18 to be Na3ZnGe(PO4)3" +mp-2715352,Na3ZnGe(PO4)3,-6.7026237744,-2.4300978044,0.0762880364,0.0762880364,GGA,Cc,AB3C12D3E_mC80_9_a_3a_12a_3a_a:Ge-Na-O-P-Zn,80.0,"Invalid WP multiplicities - AB3C12D3E_mC80_9_a_3a_30a_6a_a:Ge-Na-O-P-Zn, expected Na3ZnGe(PO5)6 to be Na3ZnGe(PO4)3" +mp-2714119,Na14Zn5Ge3(PO4)12,-6.6034357779,-2.4438767054,0.06835901,0.06835901,GGA,P1,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Ge-Na-O-P-Zn,246.0,A3B14C48D12E5_aP246_1_9a_42a_144a_36a_15a:Ge-Na-O-P-Zn +mp-2716343,Na10Zn3Ge5(PO4)12,-6.8246354981,-2.4333494563,0.0668865162,0.0668865162,GGA,P1,A5B10C48D12E3_aP234_1_15a_30a_144a_36a_9a:Ge-Na-O-P-Zn,234.0,A5B10C48D12E3_aP234_1_15a_30a_144a_36a_9a:Ge-Na-O-P-Zn +mp-2715997,Na5ZnSiGe3P5O24,-6.8987078348,-2.4639946739000003,0.0706541389,0.0706541389,GGA,P1,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Ge-Na-O-P-Si-Zn,117.0,A3B5C24D5EF_aP117_1_9a_15a_72a_15a_3a_3a:Ge-Na-O-P-Si-Zn +mp-2714983,Na8Zn3Ge(PO4)6,-6.5044685182,-2.4524969672,0.0652461742,0.0652461742,GGA,P3,AB8C24D6E3_hP126_143_2ab_2a2b2c6d_24d_6d_2a3b4c:Ge-Na-O-P-Zn,126.0,AB8C24D6E3_hP126_143_2ab_2a2b2c6d_24d_6d_2a3b4c:Ge-Na-O-P-Zn +mp-2715549,Na8ZnSi4Ge3(PO12)2,-6.7287615329,-2.5154892537,0.0874526838,0.0874526838,GGA,P1,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Ge-Na-O-P-Si-Zn,126.0,A3B8C24D2E4F_aP126_1_9a_24a_72a_6a_12a_3a:Ge-Na-O-P-Si-Zn +mp-2714988,Na7ZnSi3Ge3(PO8)3,-6.7813377089,-2.4978524672,0.1040306335,0.1040306335,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ge-Na-O-P-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Ge-Na-O-P-Si-Zn +mp-2716522,Na6ZnGe7(PO4)12,-7.1031914448,-2.4551268695,0.0318120907,0.0318120907,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ge-Na-O-P-Zn,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ge-Na-O-P-Zn +mp-2714417,Na4ZnSiGe(PO6)2,-6.5859488876,-2.4533269725,0.1148881604,0.1148881604,GGA,Cc,AB4C12D2EF_mC252_9_3a_12a_36a_6a_3a_3a:Ge-Na-O-P-Si-Zn,126.0,"Invalid WP multiplicities - AB4C12D2EF_mC252_9_3a_18a_60a_9a_3a_3a:Ge-Na-O-P-Si-Zn, expected Na6ZnSiGeP3O20 to be Na4ZnSiGe(PO6)2" +mp-2713542,Na4ZnGe3(PO4)6,-6.9595457898,-2.4432491462,0.0505132809,0.0505132809,GGA,P1,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Ge-Na-O-P-Zn,114.0,A3B4C24D6E_aP114_1_9a_12a_72a_18a_3a:Ge-Na-O-P-Zn +mp-1042475,BaYCrCuO5,-7.81571199,-2.6078071289,0.5715797513,0.5715797513,GGA+U,P4mm,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cr-Cu-O-Y,9.0,ABCD5E_tP9_99_b_a_a_a2c_b:Ba-Cr-Cu-O-Y +mp-2242141,BaYMgCrCuO5,-7.19935551,-2.35221313,0.7284756845,0.7284756845,GGA+U,Pm,ABCDE5F_mP10_6_b_a_a_a_3a2b_b:Ba-Cr-Cu-Mg-O-Y,10.0,ABCDE5F_mP10_6_b_a_a_a_3a2b_b:Ba-Cr-Cu-Mg-O-Y +mp-2242117,BaYMgCrCuO5,-7.097626408,-2.250484028,0.8302047865000001,0.8302047865000001,GGA+U,Pmm2,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Cr-Cu-Mg-O-Y,10.0,ABCDE5F_oP10_25_c_b_b_a_2ab2d_c:Ba-Cr-Cu-Mg-O-Y +mp-2217420,BaYMgCrCuO5,-7.016154206,-2.169011826,0.9116769885,0.9116769885,GGA+U,P4mm,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Cr-Cu-Mg-O-Y,10.0,ABCDE5F_tP10_99_a_b_b_a_b2c_a:Ba-Cr-Cu-Mg-O-Y +mp-1228462,Ba3SrCo2Cu4(SO)4,-5.6263011417,-1.4933880941,0.193223085,0.193223085,GGA+U,P4mm,A3B2C4D4E4F_tP18_99_a2b_ab_2c_2c_2a2b_a:Ba-Co-Cu-O-S-Sr,18.0,"Invalid WP multiplicities - A3B2C4D4E4F_tP18_99_a2b_ab_4c_4c_2a2b_a:Ba-Co-Cu-O-S-Sr, expected Ba3SrCo2Cu8(SO2)4 to be Ba3SrCo2Cu4(SO)4" +mp-1227981,BaSr3Co2Cu4(SO)4,-5.6796074111,-1.5721923065,0.1288692933,0.1288692933,GGA+U,P4mm,AB2C4D4E4F3_tP18_99_a_ab_2c_2c_2a2b_a2b:Ba-Co-Cu-O-S-Sr,18.0,"Invalid WP multiplicities - AB2C4D4E4F3_tP18_99_a_ab_4c_4c_2a2b_a2b:Ba-Co-Cu-O-S-Sr, expected BaSr3Co2Cu8(SO2)4 to be BaSr3Co2Cu4(SO)4" +mp-1076429,Ba2Sr6Co5(CuO8)3,-6.3755530855,-1.8621868691,0.0671751192,0.0671751192,GGA+U,P2,A2B5C3D24E6_mP40_3_e_a2c2d_a2b_2a2b2c2d8e_3e:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A2B5C3D24E6_mP40_3_e_a2b2c_a2d_2a2b2c2d12e_6e:Ba-Co-Cu-O-Sr, expected Ba2Sr12Co5Cu3O32 to be Ba2Sr6Co5(CuO8)3" +mp-1076528,BaSr3Co2(CuO6)2,-6.2600719062,-1.821933468,0.0728913166,0.0728913166,GGA+U,Cmm2,AB2C2D12E3_oC80_35_d_2ac_2bc_2a2b2c4f_d2e:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - AB2C2D12E3_oC80_35_d_2a2c_2b2c_2a2b4c12f_2d4e:Ba-Co-Cu-O-Sr, expected BaSr6Co3(CuO10)3 to be BaSr3Co2(CuO6)2" +mp-1078227,BaCoSO,-6.3221553613,-1.794547533,0.0947616819,0.0947616819,GGA+U,Cmcm,ABCD_oC16_63_c_c_a_c:Ba-Co-O-S,8.0,ABCD_oC16_63_c_c_a_c:Ba-Co-O-S +mp-1076137,Ba3Sr5Co2(CuO4)6,-6.055591001,-1.7621710818,0.0641332915,0.0641332915,GGA+U,Pm,A3B2C6D24E5_mP40_6_2ab_c_3c_4a4b8c_2a3b:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A3B2C6D24E5_mP40_6_2ab_c_6c_4a4b16c_2a3b:Ba-Co-Cu-O-Sr, expected Ba3Sr5Co2(Cu3O10)4 to be Ba3Sr5Co2(CuO4)6" +mp-1099990,BaSr7Co4(CuO5)4,-6.3567477661,-1.9814893995,0.0866424285,0.0866424285,GGA+U,P1,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ba-Co-Cu-O-Sr,144.0,AB4C4D20E7_aP144_1_4a_16a_16a_80a_28a:Ba-Co-Cu-O-Sr +mp-1078706,Ba2CoCu2(SO)2,-5.6352559089,-1.4895938899,0.1897920789,0.1897920789,GGA+U,I4/mmm,A2BC2D2E2_tI18_139_e_a_d_c_e:Ba-Co-Cu-O-S,9.0,A2BC2D2E2_tI18_139_e_a_d_c_e:Ba-Co-Cu-O-S +mp-1076491,Ba4Sr4Co3Cu5O24,-6.1543956923,-1.7800109578,0.0842752149,0.0842752149,GGA+U,P1,A4B3C5D24E4_aP40_1_4a_3a_5a_24a_4a:Ba-Co-Cu-O-Sr,40.0,A4B3C5D24E4_aP40_1_4a_3a_5a_24a_4a:Ba-Co-Cu-O-Sr +mp-1099763,Ba2Sr2Co(CuO4)3,-6.0477887415,-1.7486317852000002,0.0782265842,0.0782265842,GGA+U,Pm,A2BC3D12E2_mP40_6_2a2b_c_3c_4a4b8c_2a2b:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A2BC3D12E2_mP40_6_2a2b_c_6c_4a4b16c_2a2b:Ba-Co-Cu-O-Sr, expected Ba2Sr2Co(Cu3O10)2 to be Ba2Sr2Co(CuO4)3" +mp-1076681,BaSr7Co6(CuO12)2,-6.4838930735,-1.9010361162,0.0545797975,0.0545797975,GGA+U,Amm2,AB6C2D24E7_oC80_38_a_cf_c_2a2bde4f_a2bde:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - AB6C2D24E7_oC80_38_a_cf_c_2a2b2d2e8f_a2b2d2e:Ba-Co-Cu-O-Sr, expected BaSr11Co6(CuO22)2 to be BaSr7Co6(CuO12)2" +mp-1076054,BaSr7Co4(CuO6)4,-6.263244541,-1.8308431399,0.0605370491,0.0605370491,GGA+U,R3m,AB4C4D24E7_hR120_160_a_ab_ab_4b2c_a2b:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - AB4C4D24E7_hR120_160_a_ab_ab_12b10c_a6b:Ba-Co-Cu-O-Sr, expected BaSr19Co4(CuO24)4 to be BaSr7Co4(CuO6)4" +mp-1100085,Ba3SrCoCu3O10,-6.1420401198,-1.9020821647,0.1088658384,0.1088658384,GGA+U,P1,A3BC3D10E_aP144_1_24a_8a_24a_80a_8a:Ba-Co-Cu-O-Sr,144.0,A3BC3D10E_aP144_1_24a_8a_24a_80a_8a:Ba-Co-Cu-O-Sr +mp-1227882,BaSrCoCu2(SO)2,-5.6315639133,-1.5113998373,0.1824365522,0.1824365522,GGA+U,I4mm,ABC2D2E2F_tI18_107_a_a_b_b_2a_a:Ba-Co-Cu-O-S-Sr,9.0,ABC2D2E2F_tI18_107_a_a_b_b_2a_a:Ba-Co-Cu-O-S-Sr +mp-1075989,Ba3Sr5Co4(CuO6)4,-6.2636128595,-1.8197373841,0.0785319962,0.0785319962,GGA+U,Cm,A3B4C4D24E5_mC80_8_ab_2ab_2ab_4a10b_3ab:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A3B4C4D24E5_mC80_8_a2b_2a2b_2a2b_4a20b_3a2b:Ba-Co-Cu-O-Sr, expected Ba5Sr7Co6(Cu3O22)2 to be Ba3Sr5Co4(CuO6)4" +mp-1099676,Ba4Sr4CoCu7O24,-5.9474580913,-1.723528913,0.065901653,0.065901653,GGA+U,Cm,A4BC7D24E4_mC80_8_2ab_a_3a2b_4a10b_2ab:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - A4BC7D24E4_mC80_8_2a2b_a_3a4b_4a20b_2a2b:Ba-Co-Cu-O-Sr, expected Ba6Sr6Co(CuO4)11 to be Ba4Sr4CoCu7O24" +mp-1075982,BaSr7Co5(CuO8)3,-6.3738486417,-1.8662194625,0.0572785888,0.0572785888,GGA+U,Cm,AB5C3D24E7_mC80_8_a_3ab_ab_4a10b_3a2b:Ba-Co-Cu-O-Sr,40.0,"Invalid WP multiplicities - AB5C3D24E7_mC80_8_a_3ab_ab_4a18b_3a4b:Ba-Co-Cu-O-Sr, expected BaSr11Co5Cu3O40 to be BaSr7Co5(CuO8)3" +mp-1229167,As2SeS2,-4.5627726455,-0.3453630412,0.0747146498,0.0747146498,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:As-S-Se,20.0,A2B2C_mP20_14_2e_2e_e:As-S-Se +mp-1229221,As2Se3S3(NF3)4,-5.0728264829,-1.3853661432,0.1472946848,0.1472946848,GGA,P2_1/c,A2B12C4D3E3_mP96_14_2e_12e_4e_3e_3e:As-F-N-S-Se,96.0,A2B12C4D3E3_mP96_14_2e_12e_4e_3e_3e:As-F-N-S-Se +mp-561321,AsSeS2N2ClF6,-4.9341295455,-1.3634887815,0.1458819303,0.1458819303,GGA,P2_1/c,ABC6D2E2F_mP104_14_2e_2e_12e_4e_4e_2e:As-Cl-F-N-S-Se,104.0,"Invalid WP multiplicities - ABC6D2E2F_mP104_14_6e_5e_47e_11e_11e_6e:As-Cl-F-N-S-Se, expected As6Se6S11N11Cl5F47 to be AsSeS2N2ClF6" +mp-1214996,AsSeS2(NF3)2,-5.1010790985,-1.3869296593,0.1648983977,0.1648983977,GGA,P2_1/c,AB6C2D2E_mP96_14_2e_12e_4e_4e_2e:As-F-N-S-Se,96.0,AB6C2D2E_mP96_14_2e_12e_4e_4e_2e:As-F-N-S-Se +mp-27926,AsClF8,-4.037225511,-1.8572768305,0.0,-0.0380028214,GGA,C2/c,ABC8_mC40_15_a_e_4f:As-Cl-F,20.0,ABC8_mC40_15_c_e_4f:As-Cl-F +mp-1247835,Al4Si2H(O3F)3,-7.4942432939,-3.3110695714,0.0129091703,0.0129091703,GGA,P2_1,A4B3CD9E2_mP38_4_4a_3a_a_9a_2a:Al-F-H-O-Si,38.0,"Invalid WP multiplicities - A4B3CD9E2_mP38_4_8a_6a_a_18a_4a:Al-F-H-O-Si, expected Al8Si4H(O3F)6 to be Al4Si2H(O3F)3" +mp-1247833,Al4Si2H(O3F)3,-7.4949900184,-3.3118162959,0.0121624459,0.0121624459,GGA,Pc,A4B3CD9E2_mP38_7_4a_3a_a_9a_2a:Al-F-H-O-Si,38.0,"Invalid WP multiplicities - A4B3CD9E2_mP38_7_8a_6a_a_18a_4a:Al-F-H-O-Si, expected Al8Si4H(O3F)6 to be Al4Si2H(O3F)3" +mp-534982,Al13Si5H14Cl(O17F2)2,-7.0013527849,-2.7619287105,0.0285024799,0.0285024799,GGA,P1,A13BC4D14E34F5_aP71_1_13a_a_4a_14a_34a_5a:Al-Cl-F-H-O-Si,71.0,A13BC4D14E34F5_aP71_1_13a_a_4a_14a_34a_5a:Al-Cl-F-H-O-Si +mp-729048,CoH16RuN10ClO10,-5.9540309914,-0.6887307330000001,0.261495874,0.261495874,GGA+U,P2_1/c,ABC16D10E10F_mP156_14_e_e_16e_10e_10e_e:Cl-Co-H-N-O-Ru,156.0,ABC16D10E10F_mP156_14_e_e_16e_10e_10e_e:Cl-Co-H-N-O-Ru +mp-562406,Co2H34N12Cl3O10,-5.300680422,-0.6347827612,0.2443189752,0.2443189752,GGA+U,Pnnm,A3B2C34D12E10_oP122_58_ag_g_g8h_2g2h_3gh:Cl-Co-H-N-O,122.0,"Invalid WP multiplicities - A3B2C34D12E10_oP122_58_2a2g_g_4g57h_7g13h_9g5h:Cl-Co-H-N-O, expected CoH118N33Cl3O19 to be Co2H34N12Cl3O10" +mp-1245575,Co4RuN4,-7.7074378711,0.1874125089,0.2530860556,0.2530860556,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Co-N-Ru,18.0,A4B4C_aP18_2_4i_4i_i:Co-N-Ru +mp-744737,CoH15N7ClO5,-5.1765025682,-0.2476524592,0.5980176565,0.5980176565,GGA+U,Pna2_1,ABC15D7E5_oP116_33_a_a_15a_7a_5a:Cl-Co-H-N-O,116.0,ABC15D7E5_oP116_33_a_a_15a_7a_5a:Cl-Co-H-N-O +mp-1227607,CoH15N6(ClO)2,-5.3283915565,-0.6511366041000001,0.0681450538,0.0681450538,GGA+U,P-1,A2BC15D6E2_aP52_2_2i_i_15i_6i_2i:Cl-Co-H-N-O,52.0,"Invalid WP multiplicities - A2BC15D6E2_aP52_2_4i_i_27i_10i_4i:Cl-Co-H-N-O, expected CoH27N10(ClO)4 to be CoH15N6(ClO)2" +mp-1226781,CoH15N6(ClO)2,-5.3192651096,-0.6420101572,0.0772715007,0.0772715007,GGA+U,Cc,A2BC15D6E2_mC104_9_2a_a_15a_6a_2a:Cl-Co-H-N-O,52.0,"Invalid WP multiplicities - A2BC15D6E2_mC104_9_3a_a_21a_8a_3a:Cl-Co-H-N-O, expected CoH21N8(ClO)3 to be CoH15N6(ClO)2" +mp-1182648,CoH15N6(ClO)2,-4.9329314507,-0.2556764983,0.4636051597,0.4636051597,GGA+U,Pna2_1,A2BC15D6E2_oP104_33_2a_a_15a_6a_2a:Cl-Co-H-N-O,104.0,A2BC15D6E2_oP104_33_2a_a_15a_6a_2a:Cl-Co-H-N-O +mp-694994,CoH22N7(ClO2)4,-4.8996538552,-0.4455726269,0.5444524288,0.5444524288,GGA+U,Cm,A4BC22D7E8_mC84_8_4a_a_2a10b_3a2b_4a2b:Cl-Co-H-N-O,42.0,"Invalid WP multiplicities - A4BC22D7E8_mC84_8_4a_a_2a16b_3a2b_4a3b:Cl-Co-H-N-O, expected CoH34N7(Cl2O5)2 to be CoH22N7(ClO2)4" +mp-1199703,Co2H36N13Cl5O3,-5.0556290421,-0.4994941833,0.1853355406,0.1853355406,GGA+U,C2/m,A5B2C36D13E3_mC236_12_h2ij_abf_2i17j_3i5j_ij:Cl-Co-H-N-O,118.0,A5B2C36D13E3_mC236_12_h2ij_abe_2i17j_3i5j_ij:Cl-Co-H-N-O +mp-1201414,CoH18N6(ClO)3,-5.0912707352,-0.6208825975000001,0.1989647986,0.1989647986,GGA+U,P2_1/c,A3BC18D6E3_mP124_14_3e_ad_18e_6e_3e:Cl-Co-H-N-O,124.0,A3BC18D6E3_mP124_14_3e_ad_18e_6e_3e:Cl-Co-H-N-O +mp-1246891,Co2RuN3,-7.8479921117,0.2354283725,0.2846835325,0.2846835325,GGA,C2/c,A2B3C_mC48_15_2f_2e2f_f:Co-N-Ru,24.0,A2B3C_mC48_15_2f_2e2f_f:Co-N-Ru +mp-1208787,Ti3C70Cl13,-8.1496490578,-0.0830904868,0.2892412355,0.2892412355,GGA,P-1,A70B13C3_aP172_2_70i_13i_3i:C-Cl-Ti,172.0,A70B13C3_aP172_2_70i_13i_3i:C-Cl-Ti +mp-693432,Ti2H2CSe4Cl16O5,-4.3094389387,-0.9728130172,0.4468926946,0.4468926946,GGA,P2/c,AB16C2D5E4F2_mP60_13_e_8g_g_f2g_2g_g:C-Cl-H-O-Se-Ti,60.0,"Invalid WP multiplicities - AB16C2D5E4F2_mP60_13_e_15g_g_f4g_3g_g:C-Cl-H-O-Se-Ti, expected Ti2H2CSe6(Cl10O3)3 to be Ti2H2CSe4Cl16O5" +mp-1173102,Ti2H2CSe4Cl16O5,-4.5518169948,-1.2151910734,0.2045146384,0.2045146384,GGA,P2/c,AB16C2D5E4F2_mP60_13_e_8g_g_f2g_2g_g:C-Cl-H-O-Se-Ti,60.0,"Invalid WP multiplicities - AB16C2D5E4F2_mP60_13_e_15g_g_f4g_3g_g:C-Cl-H-O-Se-Ti, expected Ti2H2CSe6(Cl10O3)3 to be Ti2H2CSe4Cl16O5" +mp-1200489,Ti2H2CSe4Cl16O5,-4.6501247787,-1.3134988572,0.1062068546,0.1062068546,GGA,P2/c,AB16C2D5E4F2_mP60_13_e_8g_g_f2g_2g_g:C-Cl-H-O-Se-Ti,60.0,AB16C2D5E4F2_mP60_13_e_8g_g_f2g_2g_g:C-Cl-H-O-Se-Ti +mp-2647029,Ti2CCl2,-7.354797046,-1.6114524768,0.0,-0.1034452004,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-Cl-Ti,5.0,AB2C2_hP5_164_a_d_d:C-Cl-Ti +mp-1205237,Ti(C5Cl)4,-8.1009263511,-0.1064084108,0.3098272061,0.3098272061,GGA,P2_1/c,A20B4C_mP300_14_60e_12e_3e:C-Cl-Ti,300.0,A20B4C_mP300_14_60e_12e_3e:C-Cl-Ti +mp-28913,Ti6CCl14,-5.9390755769,-2.0114026801,0.0,-0.0495047755,GGA,Cmce,AB14C6_oC84_64_a_def2g_fg:C-Cl-Ti,42.0,"Invalid WP multiplicities - AB14C6_oC84_64_a_def3g_fg:C-Cl-Ti, expected Ti6CCl18 to be Ti6CCl14" +mp-1217613,Ti2HCSe4Cl16O5,-4.6257147012,-1.2910232668,0.1481790815,0.1481790815,GGA,Pc,AB16CD5E4F2_mP58_7_a_16a_a_5a_4a_2a:C-Cl-H-O-Se-Ti,58.0,"Invalid WP multiplicities - AB16CD5E4F2_mP58_7_a_24a_a_7a_6a_3a:C-Cl-H-O-Se-Ti, expected Ti3HCSe6Cl24O7 to be Ti2HCSe4Cl16O5" +mp-1247403,In5(SiN3)2,-5.8665599435,-0.1259426927,0.3810132778,0.3810132778,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:In-N-Si,26.0,A5B6C2_mC52_15_e2f_3f_f:In-N-Si +mp-1246816,In3Si6N11,-7.339794608,-0.7143744307000001,0.2189952893,0.2189952893,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:In-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:In-N-Si +mp-1245359,In5(SiN3)3,-6.3901980003,-0.2100317024,0.3714766168,0.3714766168,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:In-N-Si,68.0,A5B9C3_oC136_64_d2fg_3f3g_e2f:In-N-Si +mp-1080609,InSiCN,-6.5585983563,-0.1230578119,0.4709860677,0.4709860677,GGA,Pmn2_1,ABCD_oP8_31_a_a_a_a:C-In-N-Si,8.0,ABCD_oP8_31_a_a_a_a:C-In-N-Si +mp-1247068,InSiN2,-6.7712029248,-0.5587050223,0.2256738422,0.2256738422,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:In-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:In-N-Si +mp-1198339,SiH8(CBr)4,-4.7198205679,-0.2672381162,0.2730108689,0.2730108689,GGA,P-42_1c,A4B4C8D_tP34_114_e_e_2e_a:Br-C-H-Si,34.0,A4B4C8D_tP34_114_e_e_2e_a:Br-C-H-Si +mp-1196807,InC4Br7N4,-4.4734882527,0.7692319792000001,1.1838064475,1.1838064475,GGA,P2/c,A7B4CD4_mP64_13_ef6g_4g_ad_4g:Br-C-In-N,64.0,A7B4CD4_mP64_13_ef6g_4g_ad_4g:Br-C-In-N +mp-1247485,InSi7N10,-7.9535590453,-1.0594557569,0.1256450657,0.1256450657,GGA,Pc,AB10C7_mP36_7_a_10a_7a:In-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:In-N-Si +mp-1197178,InSiH11C3Br3N,-4.8288846326,-0.5199564003,0.0345057658,0.0345057658,GGA,P2_1/c,A3B3C11DEF_mP80_14_3e_3e_11e_e_e_e:Br-C-H-In-N-Si,80.0,A3B3C11DEF_mP80_14_3e_3e_11e_e_e_e:Br-C-H-In-N-Si +mp-1202311,InSi2H19C7Br2,-4.997334631,-0.2950498002,0.0433085078,0.0433085078,GGA,P-1,A2B7C19DE2_aP124_2_4i_14i_38i_2i_4i:Br-C-H-In-Si,124.0,A2B7C19DE2_aP124_2_4i_14i_38i_2i_4i:Br-C-H-In-Si +mp-1247286,In7SiN6,-5.2488716782,0.0872764425,0.356441361,0.356441361,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:In-N-Si,56.0,A7B6C_oP56_60_c3d_3d_c:In-N-Si +mp-600242,InH24C6(Br2N)3,-4.8211495238,-0.4742306108,0.0708958077,0.0708958077,GGA,R-3,A6B6C24DE3_hR480_148_4f_4f_16f_ae_2f:Br-C-H-In-N,160.0,"Invalid WP multiplicities - A6B6C24DE3_hR480_148_19f_20f_93f_a2e_6f:Br-C-H-In-N, expected In7H558C120(Br19N6)6 to be InH24C6(Br2N)3" +mp-2716115,Na3Zr2Sc2P5SO24,-7.9981926452,-3.0346411095,0.0138727069,0.0138727069,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Zr,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Zr +mp-2716288,NaZr2Sc2P3(SO8)3,-7.9620669496,-2.8634197795,0.0199479225,0.0199479225,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Zr,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Zr +mp-2712853,ZrScP(SO6)2,-7.9345002021,-2.7623451132,0.0158810071,0.0158810071,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Sc-Zr,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Sc-Zr, expected ZrScPS3O20 to be ZrScP(SO6)2" +mp-2712634,NaZrScP2SO12,-7.9845272851,-2.9553042604,0.014828579,0.014828579,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Sc-Zr,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Sc-Zr, expected NaZrScP7SO60 to be NaZrScP2SO12" +mp-2713286,Na2InGaP2SO12,-6.715492307,-2.3603265305,0.054551523,0.054551523,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-In-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-In-Na-O-P-S +mp-2714385,NaInGaP(SO6)2,-6.620534366,-2.1678248204,0.0368131126,0.0368131126,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Ga-In-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Ga-In-Na-O-P-S +mp-2714275,NaIn2Ga2PS5O24,-6.5413526768,-2.0356907993,0.0447134538,0.0447134538,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ga-In-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ga-In-Na-O-P-S +mp-2715124,Na5In2Ga2P5SO24,-6.7570722479,-2.4469266725,0.0549645581,0.0549645581,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-In-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-In-Na-O-P-S +mp-2713940,Na3In2Ga2P3(SO8)3,-6.6696324788,-2.2670129768,0.0455860991,0.0455860991,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ga-In-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ga-In-Na-O-P-S +mp-1194891,Li4Zn(H2N)6,-4.8723692546,-0.5407554647,0.0,-0.0018987085,GGA,C222_1,A12B4C6D_oC92_20_6c_3ab_3c_a:H-Li-N-Zn,46.0,A12B4C6D_oC92_20_6c_3ab_3c_a:H-Li-N-Zn +mp-7575,LiZnN,-4.2209152067,-0.3858614061,0.0,-0.0773171581,GGA,F-43m,ABC_cF12_216_a_c_b:Li-N-Zn,3.0,ABC_cF12_216_a_c_b:Li-N-Zn +mp-1196671,LiZnSi2H47C17N4,-5.246484765,-0.1949469911,0.1356337423,0.1356337423,GGA,P2_1/c,A17B47CD4E2F_mP288_14_17e_47e_e_4e_2e_e:C-H-Li-N-Si-Zn,288.0,A17B47CD4E2F_mP288_14_17e_47e_e_4e_2e_e:C-H-Li-N-Si-Zn +mp-1197444,Li2Si3H30(C5N2)2,-5.3541145338,-0.3029264563,0.1199890432,0.1199890432,GGA,C2/c,A10B30C2D4E3_mC392_15_10f_30f_2f_4f_3f:C-H-Li-N-Si,196.0,A10B30C2D4E3_mC392_15_10f_30f_2f_4f_3f:C-H-Li-N-Si +mp-1198718,LiSiH19(C3N2)2,-5.4544328537,-0.2765616147,0.1273694453,0.1273694453,GGA,P2_1/c,A6B19CD4E_mP248_14_12e_38e_2e_8e_2e:C-H-Li-N-Si,248.0,A6B19CD4E_mP248_14_12e_38e_2e_8e_2e:C-H-Li-N-Si +mp-1197528,Li2SiH18(C3N2)2,-5.4067488026,-0.2767421823,0.1597509173,0.1597509173,GGA,C2/c,A6B18C2D4E_mC496_15_12f_36f_2e3f_8f_2f:C-H-Li-N-Si,248.0,A6B18C2D4E_mC496_15_12f_36f_2e3f_8f_2f:C-H-Li-N-Si +mp-1202457,ZnSi4H36(C6N)2,-5.2089243872,-0.2540856761,0.0552689841,0.0552689841,GGA,P2_1/c,A12B36C2D4E_mP220_14_12e_36e_2e_4e_e:C-H-N-Si-Zn,220.0,A12B36C2D4E_mP220_14_12e_36e_2e_4e_e:C-H-N-Si-Zn +mp-1233270,CaMn8(OF)8,-7.6207319596,-2.4140494137,0.1841380811,0.1841380811,GGA+U,P1,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-Mn-O,25.0,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-Mn-O +mp-766498,LiMnCO3F2,-7.1791333434,-2.3088048784,0.0424815102,0.0424815102,GGA+U,Pnma,AB2CDE3_oP32_62_c_d_c_c_3c:C-F-Li-Mn-O,32.0,"Invalid WP multiplicities - AB2CDE3_oP32_62_c_d_c_c_7c:C-F-Li-Mn-O, expected LiMnCO7F2 to be LiMnCO3F2" +mp-766471,Li3Mn2C3O9F,-7.6221081992,-2.1683041419,0.0520651392,0.0520651392,GGA+U,Cc,A3BC3D2E9_mC72_9_3a_a_3a_2a_9a:C-F-Li-Mn-O,36.0,"Invalid WP multiplicities - A3BC3D2E9_mC72_9_6a_a_6a_3a_18a:C-F-Li-Mn-O, expected Li6Mn3C6O18F to be Li3Mn2C3O9F" +mp-1233196,CaMn8O13F3,-7.8719844812,-2.0582599866,0.1914316997,0.1914316997,GGA+U,P1,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O,25.0,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O +mp-1233261,CaMn8O13F3,-7.8415026416,-2.027778147,0.2219135393,0.2219135393,GGA+U,P1,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O,25.0,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O +mp-1234264,CaMn8O13F3,-7.8248915368,-2.0111670422,0.2385246441,0.2385246441,GGA+U,P1,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O,25.0,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O +mp-1234454,CaMn8O13F3,-7.8218487628,-2.0081242682,0.2415674181,0.2415674181,GGA+U,P1,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O,25.0,AB3C8D13_aP25_1_a_3a_8a_13a:Ca-F-Mn-O +mp-1233176,CaMn6O5F7,-7.5636530405,-2.5588378847,0.1878840914,0.1878840914,GGA+U,P1,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O,19.0,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O +mp-1233764,CaMn6O5F7,-7.5475178316,-2.5427026757,0.2040193004,0.2040193004,GGA+U,P1,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O,19.0,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O +mp-1233817,CaMn6O5F7,-7.5841111763,-2.5792960205,0.1674259556,0.1674259556,GGA+U,P1,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O,19.0,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O +mp-1234281,CaMn6O5F7,-7.57198449,-2.5671693341,0.1795526419,0.1795526419,GGA+U,P1,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O,19.0,AB7C6D5_aP19_1_a_7a_6a_5a:Ca-F-Mn-O +mp-1234421,CaMn6O5F7,-7.6157642242,-2.6109490684,0.1357729077,0.1357729077,GGA+U,C2,AB7C6D5_mC38_5_b_a3c_ab2c_a2c:Ca-F-Mn-O,19.0,"Invalid WP multiplicities - AB7C6D5_mC38_5_b_a4c_ab3c_a3c:Ca-F-Mn-O, expected CaMn8O7F9 to be CaMn6O5F7" +mp-766468,Li6Ca3MnC6(O9F)2,-7.31229978,-2.4548636738000003,0.0481791996,0.0481791996,GGA+U,P1,A6B3C2D6EF18_aP36_1_6a_3a_2a_6a_a_18a:C-Ca-F-Li-Mn-O,36.0,A6B3C2D6EF18_aP36_1_6a_3a_2a_6a_a_18a:C-Ca-F-Li-Mn-O +mp-1233019,CaMn6(OF2)4,-7.4881034853,-2.6430362107,0.1856887695,0.1856887695,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233054,CaMn6(OF2)4,-7.4874650463,-2.6423977717,0.1863272084,0.1863272084,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233336,CaMn6(OF2)4,-7.4381400668,-2.5930727922,0.2356521879,0.2356521879,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233365,CaMn6(OF2)4,-7.4746976479,-2.6296303733,0.1990946068,0.1990946068,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233420,CaMn6(OF2)4,-7.4579122074,-2.6128449328,0.2158800474,0.2158800474,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233461,CaMn6(OF2)4,-7.4764132811,-2.6313460065000003,0.1973789737,0.1973789737,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233540,CaMn6(OF2)4,-7.4883093389,-2.6432420643,0.1854829158,0.1854829158,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1233673,CaMn6(OF2)4,-7.4863398211,-2.6412725465,0.1874524337,0.1874524337,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-1234479,CaMn6(OF2)4,-7.4910001532,-2.6459328786,0.1827921016,0.1827921016,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Mn-O +mp-21331,K2RbGdV2O8,-8.0743096586,-2.715825656,0.0,-0.0253942514,GGA+U,P-3m1,AB2C8DE2_hP14_164_a_d_di_b_d:Gd-K-O-Rb-V,14.0,AB2C8DE2_hP14_164_a_d_di_b_d:Gd-K-O-Rb-V +mp-1209373,Rb3GdV2O8,-8.0412559321,-2.7013240545,0.0,-0.0297434316,GGA+U,P-3m1,AB8C3D2_hP14_164_a_di_bd_d:Gd-O-Rb-V,14.0,AB8C3D2_hP14_164_a_di_bd_d:Gd-O-Rb-V +mp-1040391,KRbMg30O31,-6.0372152627,-2.8079028092,0.1580305144,0.1580305144,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_a2b2c2d2e2f2g2h2i_b:K-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_a2b2c2d4e4f2g2h2i_b:K-Mg-O-Rb, expected KRbMg38O39 to be KRbMg30O31" +mp-1040362,KRbMg30O31,-6.0583946149,-2.8290821615,0.1368511622,0.1368511622,GGA,Pmm2,AB30C31D_oP63_25_a_ab2c2d2e2f2g2h2i_2ab2c2d2e2f2g2h2i_b:K-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_ab2c2d4e4f2g2h2i_2ab2c2d4e4f2g2h2i_b:K-Mg-O-Rb, expected KRbMg38O39 to be KRbMg30O31" +mp-1040323,KRbMg30O31,-6.0442676665,-2.814955213,0.1509781106,0.1509781106,GGA,Pmm2,AB30C31D_oP63_25_a_a2b2cd2e2f2g2h2i_2a2bc2d2e2f2g2h2i_d:K-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_oP63_25_a_a2b2cd2e2f4g4h2i_2a2bc2d2e2f4g4h2i_d:K-Mg-O-Rb, expected KRbMg38O39 to be KRbMg30O31" +mp-1040328,KRbMg30O31,-6.0524417486,-2.8231292951,0.1428040286,0.1428040286,GGA,P4mm,AB30C31D_tP63_99_a_ab2c2d2e2f_a2b2c2d2e2f_b:K-Mg-O-Rb,63.0,"Invalid WP multiplicities - AB30C31D_tP63_99_a_ab2c2d6e6f_a2b2c2d6e6f_b:K-Mg-O-Rb, expected KRbMg62O63 to be KRbMg30O31" +mp-2218343,Gd2MgV2O8,-9.78731943,-3.0570235562,0.1306666892,0.1306666892,GGA+U,C2,A2BC8D2_mC26_5_ab_a_4c_ab:Gd-Mg-O-V,13.0,"Invalid WP multiplicities - A2BC8D2_mC26_5_ab_a_8c_ab:Gd-Mg-O-V, expected Gd2MgV2O16 to be Gd2MgV2O8" +mp-1021348,KRbMg6,-1.2409144225,0.2206622424,0.2330705402,0.2330705402,GGA,Amm2,AB6C_oC16_38_a_2bde_a:K-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:K-Mg-Rb, expected KRbMg12 to be KRbMg6" +mp-1021366,KRbMg6,-1.1800913906,0.2814852743,0.2938935721,0.2938935721,GGA,Amm2,AB6C_oC16_38_a_abde_b:K-Mg-Rb,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:K-Mg-Rb, expected KRbMg12 to be KRbMg6" +mp-1521101,KGdV4O12,-8.716624435,-2.556490546,0.0789539636,0.0789539636,GGA+U,Amm2,ABC12D4_oC36_38_a_b_2cdef_f:Gd-K-O-V,18.0,"Invalid WP multiplicities - ABC12D4_oC36_38_a_b_3c2d2ef_f:Gd-K-O-V, expected KGdV4O18 to be KGdV4O12" +mp-1033978,KRbMg14O15,-5.728704521,-2.5449888955,0.3299952919,0.3299952919,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:K-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:K-Mg-O-Rb +mp-1034001,KRbMg14O15,-5.6928727097,-2.5091570843,0.3658271032,0.3658271032,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:K-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:K-Mg-O-Rb +mp-1034098,KRbMg14O15,-5.7908752413,-2.6071596159,0.2678245716,0.2678245716,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:K-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_2a2bc2d2e2f_c:K-Mg-O-Rb +mp-1034150,KRbMg14O15,-5.7932908471,-2.6095752217,0.2654089658,0.2654089658,GGA,Pmm2,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:K-Mg-O-Rb,31.0,AB14C15D_oP31_25_a_a2bc2d2e2f_a2b2c2d2e2f_c:K-Mg-O-Rb +mp-1031270,KRbMg6O7,-5.289511932,-2.2015496455,0.482441356,0.482441356,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_2ab2c_b:K-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_2ab4c_b:K-Mg-O-Rb, expected KRbMg10O11 to be KRbMg6O7" +mp-1031286,KRbMg6O7,-5.2096240833,-2.1216617968,0.5623292047,0.5623292047,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_a2b2c_a:K-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_a2b4c_a:K-Mg-O-Rb, expected KRbMg10O11 to be KRbMg6O7" +mp-1031383,KRbMg6O7,-5.2885488607,-2.2005865741,0.4834044273,0.4834044273,GGA,P4mm,AB6C7D_tP15_99_a_ab2c_a2b2c_b:K-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_ab4c_a2b4c_b:K-Mg-O-Rb, expected KRbMg10O11 to be KRbMg6O7" +mp-1031661,KRbMg6O7,-5.13584375,-2.0478814634,0.636109538,0.636109538,GGA,P4mm,AB6C7D_tP15_99_a_2b2c_2ab2c_a:K-Mg-O-Rb,15.0,"Invalid WP multiplicities - AB6C7D_tP15_99_a_2b4c_2ab4c_a:K-Mg-O-Rb, expected KRbMg10O11 to be KRbMg6O7" +mp-2228050,K2RbGdMgV2O8,-7.6274706193,-2.5195335469,0.1683650365,0.1683650365,GGA+U,Cm,AB2CD8EF2_mC30_8_a_2a_a_4a2b_a_2a:Gd-K-Mg-O-Rb-V,15.0,AB2CD8EF2_mC30_8_a_2a_a_4a2b_a_2a:Gd-K-Mg-O-Rb-V +mp-1026413,KRbMg14,-1.3514544763,0.1794738812,0.1939502286,0.1939502286,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:K-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:K-Mg-Rb, expected KRbMg18 to be KRbMg14" +mp-1026384,KRbMg14,-1.3237664562,0.2071619012,0.2216382486,0.2216382486,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:K-Mg-Rb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:K-Mg-Rb, expected KRbMg26 to be KRbMg14" +mp-6585,CaMgB2O5,-7.7642582471,-3.131135244,0.0019687803,0.0019687803,GGA,P2_1/c,A2BCD5_mP72_14_4e_2e_2e_10e:B-Ca-Mg-O,72.0,"Invalid WP multiplicities - A2BCD5_mP72_14_5e_2e_2e_13e:B-Ca-Mg-O, expected Ca2Mg2B5O13 to be CaMgB2O5" +mp-1197708,CaMgB2O5,-7.7615984388,-3.1284754357,0.0046285885,0.0046285885,GGA,Pca2_1,A2BCD5_oP216_29_12a_6a_6a_30a:B-Ca-Mg-O,216.0,A2BCD5_oP216_29_12a_6a_6a_30a:B-Ca-Mg-O +mp-1197459,CaMgB2O5,-7.76225987,-3.1291368669,0.0039671573,0.0039671573,GGA,Pbca,A2BCD5_oP216_61_6c_3c_3c_15c:B-Ca-Mg-O,216.0,A2BCD5_oP216_61_6c_3c_3c_15c:B-Ca-Mg-O +mp-1182424,CaMgB6O17,-6.7514691894,-1.6404316435,0.6445463842,0.6445463842,GGA,P2/c,A6BCD17_mP50_13_3g_f_a_e8g:B-Ca-Mg-O,50.0,A6BCD17_mP50_13_3g_e_a_f8g:B-Ca-Mg-O +mp-1204390,CaMgB6O17,-6.933654523,-1.8226169771,0.4623610506,0.4623610506,GGA,P2/c,A6BCD17_mP50_13_3g_f_a_e8g:B-Ca-Mg-O,50.0,A6BCD17_mP50_13_3g_e_a_f8g:B-Ca-Mg-O +mp-1028149,CaMg14B,-1.78728212,0.1557749019,0.2210942327,0.2210942327,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:B-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:B-Ca-Mg, expected CaMg18B to be CaMg14B" +mp-1028118,CaMg14B,-1.7516849775,0.1913720444,0.2566913752,0.2566913752,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:B-Ca-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:B-Ca-Mg, expected CaMg26B to be CaMg14B" +mp-1023213,CaMg6B,-2.01475085,0.2710831439,0.377073511,0.377073511,GGA,Amm2,ABC6_oC16_38_a_b_abde:B-Ca-Mg,8.0,ABC6_oC16_38_a_b_abde:B-Ca-Mg +mp-1023215,CaMg6B,-2.0122674725,0.2735665214,0.3795568885,0.3795568885,GGA,Amm2,ABC6_oC16_38_a_a_2bde:B-Ca-Mg,8.0,ABC6_oC16_38_a_a_2bde:B-Ca-Mg +mp-1214468,CaMg(B3O11)2,-6.1751043273,-1.0914582539,0.8126901025000001,0.8126901025000001,GGA,C2/c,A6BCD22_mC120_15_3f_e_a_11f:B-Ca-Mg-O,60.0,A6BCD22_mC120_15_3f_e_c_11f:B-Ca-Mg-O +mp-720718,CaMgB6(HO)22,-6.2693821799,-1.9011253493,0.0145791218,0.0145791218,GGA,C2/c,A6BC22DE22_mC208_15_3f_e_11f_a_11f:B-Ca-H-Mg-O,104.0,A6BC22DE22_mC208_15_3f_e_11f_c_11f:B-Ca-H-Mg-O +mp-1214382,Ca2Mg2B4O13,-7.1067757642,-2.4288576599,0.2566600752,0.2566600752,GGA,Pbam,A4B2C2D13_oP84_55_2hi_i_acg_2g3h4i:B-Ca-Mg-O,84.0,A4B2C2D13_oP84_55_2hi_i_acg_2g3h4i:B-Ca-Mg-O +mp-781555,CaMgB6H12O17,-6.7233481382,-2.1696008089,0.0029889801,0.0029889801,GGA,P2/c,A6BC12DE17_mP74_13_3g_f_6g_a_e8g:B-Ca-H-Mg-O,74.0,"Invalid WP multiplicities - A6BC12DE17_mP74_13_9g_e_23g_a_2f29g:B-Ca-H-Mg-O, expected CaMgB18(H23O30)2 to be CaMgB6H12O17" +mp-1095596,Ca2BAsO8,-6.7100529600000005,-2.1331179912,0.2443805552,0.2443805552,GGA,I-4,ABC2D8_tI24_82_a_c_bd_2g:As-B-Ca-O,12.0,ABC2D8_tI24_82_a_c_bd_2g:As-B-Ca-O +mp-2713215,LaTaP2SO12,-8.2374250078,-2.8775953519,0.0569808993,0.0569808993,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:La-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:La-O-P-S-Ta, expected LaTaP7SO60 to be LaTaP2SO12" +mp-2716088,Na3La3TaP5SO24,-7.869716479,-2.9898011737,0.0807954416,0.0807954416,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:La-Na-O-P-S-Ta,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:La-Na-O-P-S-Ta +mp-2712643,Na2La3TaP4(SO12)2,-7.8681857606,-2.924922195,0.0650046342,0.0650046342,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:La-Na-O-P-S-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:La-Na-O-P-S-Ta +mp-2712913,La3TaP2(SO6)4,-7.8486208051,-2.7674816140000003,0.0284576246,0.0284576246,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:La-O-P-S-Ta,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:La-O-P-S-Ta +mp-2716372,NaLa3TaP3(SO8)3,-7.8535056036,-2.8432738771,0.0551529827,0.0551529827,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:La-Na-O-P-S-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:La-Na-O-P-S-Ta +mp-2716269,NaLa2Ta2P5SO24,-8.2498437034,-2.9688840968,0.0632225051,0.0632225051,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:La-Na-O-P-S-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:La-Na-O-P-S-Ta +mp-774640,Na2NiPCO7,-6.8817758879,-2.0739445342,0.054571902,0.054571902,GGA+U,P1,AB2CD7E_aP24_1_2a_4a_2a_14a_2a:C-Na-Ni-O-P,24.0,AB2CD7E_aP24_1_2a_4a_2a_14a_2a:C-Na-Ni-O-P +mp-774660,Na2NiPCO7,-6.8924677925,-2.0846364388,0.0438799974,0.0438799974,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-769504,Na2NiPCO7,-6.8887904615,-2.0809591077,0.0475573285,0.0475573285,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-769501,Na2NiPCO7,-6.8622508196,-2.0544194658,0.0740969703,0.0740969703,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-774661,Na2NiPCO7,-6.8885324867,-2.0807011329,0.0478153033,0.0478153033,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-774776,Na2NiPCO7,-6.8763604556,-2.0685291019,0.0599873343,0.0599873343,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-774777,Na2NiPCO7,-6.8865472196,-2.0787158658,0.0498005703,0.0498005703,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-768070,Na2NiPCO7,-6.8867635944,-2.0789322406,0.0495841956,0.0495841956,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-768089,Na2NiPCO7,-6.875853009,-2.0680216552,0.060494781,0.060494781,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-776013,Na2NiPCO7,-6.8605675562,-2.0527362025,0.0757802337,0.0757802337,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-850019,Na2NiPCO7,-6.8786974731,-2.0708661194,0.0576503168,0.0576503168,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-1176397,Na2NiPCO7,-6.8772430077,-2.069411654,0.0591047822,0.0591047822,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-1176402,Na2NiPCO7,-6.8894203808,-2.0815890271,0.0469274091,0.0469274091,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-1176410,Na2NiPCO7,-6.8900139619,-2.0821826081,0.0463338281,0.0463338281,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Na-Ni-O-P +mp-774663,Na2NiPCO7,-6.8659378712,-2.0581065175,0.0704099187,0.0704099187,GGA+U,P-1,AB2CD7E_aP48_2_2i_4i_2i_14i_2i:C-Na-Ni-O-P,48.0,"Invalid WP multiplicities - AB2CD7E_aP48_2_3i_6i_2i_26i_2i:C-Na-Ni-O-P, expected Na6Ni2P2C3O26 to be Na2NiPCO7" +mp-774506,Na2NiPCO7,-6.8810414729,-2.0732101192,0.055306317,0.055306317,GGA+U,Pc,AB2CD7E_mP48_7_2a_4a_2a_14a_2a:C-Na-Ni-O-P,48.0,"Invalid WP multiplicities - AB2CD7E_mP48_7_2a_5a_2a_16a_2a:C-Na-Ni-O-P, expected Na5Ni2P2(CO8)2 to be Na2NiPCO7" +mp-769516,Na2NiPCO7,-6.8809710342,-2.0731396804,0.0553767558,0.0553767558,GGA+U,Pc,AB2CD7E_mP48_7_2a_4a_2a_14a_2a:C-Na-Ni-O-P,48.0,"Invalid WP multiplicities - AB2CD7E_mP48_7_2a_7a_4a_24a_4a:C-Na-Ni-O-P, expected Na7Ni4P4(CO12)2 to be Na2NiPCO7" +mp-774783,Na2NiPCO7,-6.8962994108,-2.0884680571,0.0400483791,0.0400483791,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Na-Ni-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-Na-Ni-O-P, expected Na2NiPCO13 to be Na2NiPCO7" +mp-760210,NaLi2NiPCO7,-6.9021862073,-2.2722403085,0.0248325274,0.0248325274,GGA+U,P2_1,AB2CDE7F_mP26_4_a_2a_a_a_7a_a:C-Li-Na-Ni-O-P,52.0,AB2CDE7F_mP26_4_a_2a_a_a_7a_a:C-Li-Na-Ni-O-P +mp-774687,Na3Ni2P2(CO7)2,-6.9392723637,-1.9799059639,0.0923267113,0.0534677069,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P +mp-769490,Na3Ni2P2(CO7)2,-6.9358181785,-1.9764517786,0.0957808965,0.0569218921,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P +mp-1176375,Na3Ni2P2(CO7)2,-6.9509272839000005,-1.9915608841,0.0806717911,0.0418127867,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Na-Ni-O-P +mp-774595,Na3Ni2P2(CO7)2,-6.9502448259000005,-1.990878426,0.0813542491,0.0424952447,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_3i_5i_4i_27i_3i:C-Na-Ni-O-P, expected Na5Ni4P3(CO9)3 to be Na3Ni2P2(CO7)2" +mp-774686,Na3Ni2P2(CO7)2,-6.9487023237,-1.9893359239,0.0828967513,0.0440377469,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,A2B3C2D14E2_aP46_2_4i_6i_4i_28i_4i:C-Na-Ni-O-P +mp-769486,Na3Ni2P2(CO7)2,-6.9494428572,-1.9900764573,0.0821562178,0.0432972134,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_2i_5i_2i_26i_4i:C-Na-Ni-O-P, expected Na5Ni2P4(CO13)2 to be Na3Ni2P2(CO7)2" +mp-769496,Na3Ni2P2(CO7)2,-6.9506962937,-1.9913298939,0.0809027813,0.0420437769,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_3i_5i_3i_27i_3i:C-Na-Ni-O-P, expected Na5Ni3P3(CO9)3 to be Na3Ni2P2(CO7)2" +mp-769492,Na3Ni2P2(CO7)2,-6.9256833322,-1.9663169323,0.1059157428,0.0670567384,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_3i_6i_3i_27i_3i:C-Na-Ni-O-P, expected Na2NiPCO9 to be Na3Ni2P2(CO7)2" +mp-774575,Na3Ni2P2(CO7)2,-6.9473037893,-1.9879373895,0.0842952857,0.0454362813,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_4i_5i_3i_27i_3i:C-Na-Ni-O-P, expected Na5Ni3P3C4O27 to be Na3Ni2P2(CO7)2" +mp-768098,Na3Ni2P2(CO7)2,-6.9250103715,-1.9656439717,0.1065887035,0.0677296991,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_4i_4i_2i_26i_2i:C-Na-Ni-O-P, expected Na2NiPC2O13 to be Na3Ni2P2(CO7)2" +mp-1176369,Na3Ni2P2(CO7)2,-6.952020423,-1.9926540232,0.079578652,0.0407196476,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_4i_5i_3i_28i_4i:C-Na-Ni-O-P, expected Na5Ni3P4(CO7)4 to be Na3Ni2P2(CO7)2" +mp-768049,Na3Ni2P2(CO7)2,-6.9489081113,-1.9895417115,0.0826909637,0.0438319593,GGA+U,P2_1,A2B3C2D14E2_mP46_4_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_mP46_4_3a_5a_3a_27a_3a:C-Na-Ni-O-P, expected Na5Ni3P3(CO9)3 to be Na3Ni2P2(CO7)2" +mp-774491,Na3Ni2P2(CO7)2,-6.9443613835,-1.9849949836,0.0872376915,0.0483786871,GGA+U,P2_1,A2B3C2D14E2_mP46_4_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_mP46_4_3a_5a_3a_27a_3a:C-Na-Ni-O-P, expected Na5Ni3P3(CO9)3 to be Na3Ni2P2(CO7)2" +mp-1176358,Na3Ni2P2(CO7)2,-6.9469415283,-1.9875751284,0.0846575467,0.0457985424,GGA+U,P2_1,A2B3C2D14E2_mP46_4_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,A2B3C2D14E2_mP46_4_4a_6a_4a_28a_4a:C-Na-Ni-O-P +mp-774716,Na3Ni2P2(CO7)2,-6.919874518,-1.9605081182,0.111724557,0.0728655526,GGA+U,Pc,A2B3C2D14E2_mP46_7_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_mP46_7_2a_4a_2a_16a_2a:C-Na-Ni-O-P, expected Na2NiPCO8 to be Na3Ni2P2(CO7)2" +mp-769493,Na3Ni2P2(CO7)2,-6.9472058352,-1.9878394354,0.0843932398,0.0455342354,GGA+U,Pc,A2B3C2D14E2_mP46_7_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_mP46_7_2a_6a_4a_24a_4a:C-Na-Ni-O-P, expected Na3Ni2P2CO12 to be Na3Ni2P2(CO7)2" +mp-1176544,Na3Ni2P2(CO7)2,-7.031599075,-2.0722326752,0.0,-0.0388590044,GGA+U,Pc,A2B3C2D14E2_mP46_7_2a_3a_2a_14a_2a:C-Na-Ni-O-P,46.0,A2B3C2D14E2_mP46_7_4a_6a_4a_28a_4a:C-Na-Ni-O-P +mp-780894,Na6Ni2P(CO4)4,-6.8675309516,-2.0064823661,0.019023016,0.019023016,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Na-Ni-O-P,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_6e7g_b:C-Na-Ni-O-P, expected Na6Ni2P(CO27)4 to be Na6Ni2P(CO4)4" +mp-771060,Na5LiNi2P2(CO7)2,-6.7967964237,-2.2345117833,0.0108279742,0.0108279742,GGA+U,P1,A2BC5D2E14F2_aP26_1_2a_a_5a_2a_14a_2a:C-Li-Na-Ni-O-P,52.0,"Invalid WP multiplicities - A2BC5D2E14F2_aP26_1_2a_a_5a_4a_14a_2a:C-Li-Na-Ni-O-P, expected Na5LiNi4P2(CO7)2 to be Na5LiNi2P2(CO7)2" +mp-768847,Na5LiNi2P2(CO7)2,-6.7986224144000005,-2.236337774,0.0090019834,0.0090019834,GGA+U,Pm,A2BC5D2E14F2_mP26_6_ab_a_b2c_ab_5a5b2c_ab:C-Li-Na-Ni-O-P,52.0,A2BC5D2E14F2_mP26_6_ab_a_b2c_ab_5a5b2c_ab:C-Li-Na-Ni-O-P +mp-1221179,Na4Li(NiO2)5,-5.639070717,-1.3607409894,0.0098380052,0.0098380052,GGA+U,C2/m,AB4C5D10_mC40_12_a_2i_c2i_5i:Li-Na-Ni-O,,"Invalid WP multiplicities - AB4C5D10_mC40_12_a_3i_d3i_9i:Li-Na-Ni-O, expected Na6LiNi7O18 to be Na4Li(NiO2)5" +mp-1290445,Na2Li(NiO2)3,-5.672938155,-1.3750618416,0.0168585615,0.0168585615,GGA+U,P-1,AB2C3D6_aP12_2_a_i_ci_3i:Li-Na-Ni-O,12.0,"Invalid WP multiplicities - AB2C3D6_aP12_2_a_i_ci_4i:Li-Na-Ni-O, expected Na2LiNi3O8 to be Na2Li(NiO2)3" +mp-772969,Na2Li(NiO2)3,-5.6592233654,-1.361347052,0.0305733511,0.0305733511,GGA+U,C2/m,AB2C3D6_mC24_12_a_i_ci_3i:Li-Na-Ni-O,24.0,"Invalid WP multiplicities - AB2C3D6_mC24_12_a_i_2d2i_3i:Li-Na-Ni-O, expected Na2Li(NiO)6 to be Na2Li(NiO2)3" +mp-25396,Li2NiPCO7,-7.02809164,-2.1225273574,0.0538686032,0.0538686032,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Ni-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_8e2f_e:C-Li-Ni-O-P, expected Li2NiPCO12 to be Li2NiPCO7" +mp-25412,LiNiPCO7,-6.9883123505,-1.8103261209,0.1781856081,0.1781856081,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Li-Ni-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_12a_a:C-Li-Ni-O-P, expected LiNiPCO12 to be LiNiPCO7" +mp-766671,Li3NiPCO7,-6.9531113465,-2.2780579421,0.0535036127,0.0535036127,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P +mp-766661,Li3NiPCO7,-6.9514682131,-2.2764148086,0.0551467462,0.0551467462,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P +mp-766693,Li3NiPCO7,-6.9544560033,-2.2794025988,0.052158956,0.052158956,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P +mp-766694,Li3NiPCO7,-6.9508873177,-2.2758339132,0.0557276415,0.0557276415,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Ni-O-P +mp-756659,Li3NiPCO7,-6.9340503273,-2.2589969229,0.0725646319,0.0725646319,GGA+U,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Ni-O-P,52.0,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Ni-O-P +mp-771345,Li3NiPCO7,-6.9612778365,-2.2862244321,0.0453371227,0.0453371227,GGA+U,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Ni-O-P,52.0,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Ni-O-P +mp-25446,Li3NiPCO7,-6.969400254,-2.2943468496,0.0372147052,0.0372147052,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Ni-O-P,52.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Ni-O-P +mp-766593,Li3NiPCO7,-6.9262172617,-2.2511638573,0.0803976975,0.0803976975,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_23e_e:C-Li-Ni-O-P, expected Li5NiPCO23 to be Li3NiPCO7" +mp-766592,Li3NiPCO7,-6.92948607,-2.2544326655,0.0771288892,0.0771288892,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_23e_e:C-Li-Ni-O-P, expected Li5NiPCO23 to be Li3NiPCO7" +mp-766595,Li3NiPCO7,-6.9295273733,-2.2544739688,0.077087586,0.077087586,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_26e_e:C-Li-Ni-O-P, expected Li5NiPCO26 to be Li3NiPCO7" +mp-861294,Li3NiPCO7,-6.927343694,-2.2522902896,0.0792712652,0.0792712652,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Ni-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_26e_e:C-Li-Ni-O-P, expected Li5NiPCO26 to be Li3NiPCO7" +mp-1176329,Na5Ni2P(CO4)4,-6.9132125354,-1.9257881181,0.0484570246,0.0484570246,GGA+U,C2/c,A4B5C2D16E_mC112_15_2f_e2f_ac_8f_e:C-Na-Ni-O-P,56.0,"Invalid WP multiplicities - A4B5C2D16E_mC112_15_7f_2e4f_2ac_28f_e:C-Na-Ni-O-P, expected Na10Ni3P(CO4)14 to be Na5Ni2P(CO4)4" +mp-1176447,Na5Ni2P(CO4)4,-6.8961925207,-1.9087681034,0.0654770393,0.0654770393,GGA+U,Fdd2,A4B5C2D16E_oF224_43_2b_a2b_b_8b_a:C-Na-Ni-O-P,56.0,"Invalid WP multiplicities - A4B5C2D16E_oF224_43_4b_a6b_b_16b_a:C-Na-Ni-O-P, expected Na13Ni2P(CO4)8 to be Na5Ni2P(CO4)4" +mp-770626,Li6Ni2P(CO4)4,-7.0248090728,-2.0424368515,0.0776325214,0.0776325214,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Li-Ni-O-P,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_6e7g_b:C-Li-Ni-O-P, expected Li6Ni2P(CO27)4 to be Li6Ni2P(CO4)4" +mp-757110,Na3NiPCO7,-6.7468773446,-2.2071464571,0.020948941,-0.0049783161,GGA+U,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Na-Ni-O-P,52.0,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Na-Ni-O-P +mp-770968,Na3NiPCO7,-6.7678262856,-2.228095398,0.0,-0.0259272571,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Na-Ni-O-P,52.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Na-Ni-O-P +mp-769459,Na5Ni2P2(CO7)2,-6.8217512232,-2.1533321119,0.0269653845,0.0269653845,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P +mp-769489,Na5Ni2P2(CO7)2,-6.8216535892,-2.1532344779,0.0270630185,0.0270630185,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P +mp-774867,Na5Ni2P2(CO7)2,-6.8083030062,-2.1398838949,0.0404136015,0.0404136015,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P +mp-774778,Na5Ni2P2(CO7)2,-6.8098239886,-2.1414048773,0.0388926191,0.0388926191,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P +mp-774872,Na5Ni2P2(CO7)2,-6.8293746257,-2.1609555144,0.0193419819,0.0193419819,GGA+U,P1,A2B5C2D14E2_aP75_1_6a_15a_6a_42a_6a:C-Na-Ni-O-P,75.0,A2B5C2D14E2_aP75_1_6a_15a_6a_42a_6a:C-Na-Ni-O-P +mp-1176328,Na5Ni2P2(CO7)2,-6.808623686,-2.1402045747,0.0400929217,0.0400929217,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Na-Ni-O-P +mp-769528,Na5Ni2P2(CO7)2,-6.8044677552,-2.1360486439,0.0442488525,0.0442488525,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_3i_10i_4i_28i_4i:C-Na-Ni-O-P, expected Na10Ni4P4C3O28 to be Na5Ni2P2(CO7)2" +mp-774597,Na5Ni2P2(CO7)2,-6.8265150126,-2.1580959013,0.0222015951,0.0222015951,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_2i_9i_2i_26i_4i:C-Na-Ni-O-P, expected Na9Ni2P4(CO13)2 to be Na5Ni2P2(CO7)2" +mp-1101700,Na5Ni2P2(CO7)2,-6.828256337,-2.1598372257,0.0204602707,0.0204602707,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_4i_9i_3i_27i_3i:C-Na-Ni-O-P, expected Na9Ni3P3C4O27 to be Na5Ni2P2(CO7)2" +mp-1101707,Na5Ni2P2(CO7)2,-6.8306876072,-2.1622684959,0.0180290005,0.0180290005,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_3i_9i_4i_27i_3i:C-Na-Ni-O-P, expected Na9Ni4P3(CO9)3 to be Na5Ni2P2(CO7)2" +mp-774601,Na5Ni2P2(CO7)2,-6.8278951908,-2.1594760795,0.0208214169,0.0208214169,GGA+U,Pm,A2B5C2D14E2_mP25_6_ab_a2c_ab_5a5b2c_ab:C-Na-Ni-O-P,25.0,A2B5C2D14E2_mP25_6_ab_a2c_ab_5a5b2c_ab:C-Na-Ni-O-P +mp-768082,Na5Ni2P2(CO7)2,-6.827420241,-2.1590011297,0.0212963667,0.0212963667,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_3e_e4f_3e_19e4f_3e:C-Na-Ni-O-P, expected Na3NiPCO9 to be Na5Ni2P2(CO7)2" +mp-769495,Na5Ni2P2(CO7)2,-6.8271102478,-2.1586911365,0.0216063599,0.0216063599,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_2e_2e2f_2e_18e4f_2e:C-Na-Ni-O-P, expected Na3NiPCO13 to be Na5Ni2P2(CO7)2" +mp-775738,Na5Ni2P2(CO7)2,-6.8297556020000005,-2.1613364907,0.0189610057,0.0189610057,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_4e_e2f_2e_18e4f_2e:C-Na-Ni-O-P, expected Na5Ni2P2(C2O13)2 to be Na5Ni2P2(CO7)2" +mp-1176327,Na5Ni2P2(CO7)2,-6.8275190902,-2.1590999789,0.0211975175,0.0211975175,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Na-Ni-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_3e_2e3f_3e_19e4f_3e:C-Na-Ni-O-P, expected Na8Ni3P3(CO9)3 to be Na5Ni2P2(CO7)2" +mp-1176673,Na5Ni2P2(CO7)2,-6.8306750592,-2.1622559479,0.0180415485,0.0180415485,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Na-Ni-O-P,50.0,A2B5C2D14E2_mP50_11_4e_2e4f_4e_20e4f_4e:C-Na-Ni-O-P +mp-778605,Na4Ni2P(CO4)4,-6.9592201072,-1.8360586854,0.0817310465,0.0817310465,GGA+U,Fddd,A4B4C2D16E_oF216_70_h_ef_c_4h_b:C-Na-Ni-O-P,54.0,"Invalid WP multiplicities - A4B4C2D16E_oF216_70_h_2e3f_c_21h_b:C-Na-Ni-O-P, expected Na10Ni2P(CO21)4 to be Na4Ni2P(CO4)4" +mp-2715254,Na3YAl(PO4)3,-7.4557524053,-2.9667626613,0.033855632,0.033855632,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Al-Na-O-P-Y,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Al-Na-O-P-Y +mp-2715482,Na3YAl(PO4)3,-7.4532988339,-2.9643090899,0.0363092033,0.0363092033,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Al-Na-O-P-Y,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Al-Na-O-P-Y +mp-2714545,Na4YAlSi(PO6)2,-7.2821396759,-2.9433617856,0.0702160238,0.0702160238,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Al-Na-O-P-Si-Y,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Al-Na-O-P-Si-Y +mp-2715626,Na7Y2Al2SiP5O24,-7.3718830585,-2.9598310933,0.0487149396,0.0487149396,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Al-Na-O-P-Si-Y,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Al-Na-O-P-Si-Y +mp-555457,Te2S(O2F3)2,-5.3455397287,-2.1394866284,0.0,-0.0300508629,GGA,P2_12_12_1,A6B4CD2_oP52_19_6a_4a_a_2a:F-O-S-Te,52.0,"Invalid WP multiplicities - A6B4CD2_oP52_19_19a_13a_a_5a:F-O-S-Te, expected Te5SO13F19 to be Te2S(O2F3)2" +mp-662789,Te3As2(SF4)3,-4.5772640442,-1.8725014592,0.0867590085,0.0867590085,GGA,P2_1/c,A2B12C3D3_mP80_14_2e_12e_3e_3e:As-F-S-Te,80.0,"Invalid WP multiplicities - A2B12C3D3_mP80_14_3e_46e_10e_8e:As-F-S-Te, expected Te8As3(S5F23)2 to be Te3As2(SF4)3" +mp-560703,Te3As2S(OF6)2,-4.8149840211,-2.0291975517,0.1324154731,0.1324154731,GGA,P-1,A2B12C2DE3_aP80_2_4i_24i_4i_2i_6i:As-F-O-S-Te,80.0,"Invalid WP multiplicities - A2B12C2DE3_aP80_2_7i_46i_5i_2i_11i:As-F-O-S-Te, expected Te11As7S2O5F46 to be Te3As2S(OF6)2" +mp-1208562,Te2As(SeF2)3,-4.3780267887,-1.6361652529,0.0683536841,0.0683536841,GGA,Pbcn,AB6C3D2_oP96_60_d_6d_3d_2d:As-F-Se-Te,96.0,AB6C3D2_oP96_60_d_6d_3d_2d:As-F-Se-Te +mp-561487,Te4As2S(OF6)2,-4.7336795569,-1.930868353,0.1278107182,0.1278107182,GGA,P2_1/c,A2B12C2DE4_mP84_14_2e_12e_2e_e_4e:As-F-O-S-Te,84.0,"Invalid WP multiplicities - A2B12C2DE4_mP84_14_3e_44e_4e_e_13e:As-F-O-S-Te, expected Te13As3S(OF11)4 to be Te4As2S(OF6)2" +mp-557791,Te4As2S(OF6)2,-4.7379033368,-1.9350921328,0.1235869384,0.1235869384,GGA,Pnma,A2B12C2DE4_oP84_62_2c_4c4d_d_c_2d:As-F-O-S-Te,84.0,"Invalid WP multiplicities - A2B12C2DE4_oP84_62_6c_15c27d_d_c_11d:As-F-O-S-Te, expected Te22As6SO2F69 to be Te4As2S(OF6)2" +mp-651154,Te4As2S5(OF6)2,-4.6126637063,-1.5964703163,0.1696763326,0.1696763326,GGA,P2_1/c,A2B12C2D5E4_mP100_14_2e_12e_2e_5e_4e:As-F-O-S-Te,100.0,"Invalid WP multiplicities - A2B12C2D5E4_mP100_14_7e_43e_4e_18e_15e:As-F-O-S-Te, expected Te15As7S18O4F43 to be Te4As2S5(OF6)2" +mp-667447,TeAs(SeF3)2,-4.4465069476,-1.8201948418,0.1469675686,0.1469675686,GGA,P2_12_12_1,AB6C2D_oP80_19_2a_12a_4a_2a:As-F-Se-Te,80.0,"Invalid WP multiplicities - AB6C2D_oP80_19_4a_46a_13a_4a:As-F-Se-Te, expected Te4As4Se13F46 to be TeAs(SeF3)2" +mp-651161,TeAs(SeF3)2,-4.5288130359,-1.9025009301,0.0646614803,0.0646614803,GGA,Pna2_1,AB6C2D_oP160_33_4a_24a_8a_4a:As-F-Se-Te,160.0,"Invalid WP multiplicities - AB6C2D_oP160_33_12a_96a_31a_14a:As-F-Se-Te, expected Te14As12Se31F96 to be TeAs(SeF3)2" +mp-557236,Te2As2Se8S(OF6)2,-4.6405178673,-1.6575654482000002,0.0,-0.0050795772,GGA,P2_1/c,A2B12C2DE8F2_mP108_14_2e_12e_2e_e_8e_2e:As-F-O-S-Se-Te,108.0,"Invalid WP multiplicities - A2B12C2DE8F2_mP108_14_3e_43e_7e_e_29e_3e:As-F-O-S-Se-Te, expected Te3As3Se29SO7F43 to be Te2As2Se8S(OF6)2" +mp-650674,TeAs(Se2F3)2,-4.4399113699,-1.6686660355,0.0,-0.0513870469,GGA,Pbcn,AB6C4D_oP192_60_2d_12d_8d_2d:As-F-Se-Te,192.0,"Invalid WP multiplicities - AB6C4D_oP192_60_7d_93d_61d_12d:As-F-Se-Te, expected Te12As7Se61F93 to be TeAs(Se2F3)2" +mp-650178,Se5SO3F,-4.781011068,-0.9442558324,0.0,-0.0451981821,GGA,P2_12_12_1,AB3CD5_oP80_19_2a_6a_2a_10a:F-O-S-Se,80.0,"Invalid WP multiplicities - AB3CD5_oP80_19_6a_22a_4a_36a:F-O-S-Se, expected Se18S2O11F3 to be Se5SO3F" +mp-556865,NaBe2BO3F2,-6.9141729919,-3.1204211183,0.0055522731,0.0055522731,GGA,C2,AB2C2DE3_mC72_5_2c_4c_4c_2a2b_6c:B-Be-F-Na-O,36.0,"Invalid WP multiplicities - AB2C2DE3_mC72_5_3c_8c_6c_2a2b_12c:B-Be-F-Na-O, expected Na2Be8B3(O2F)6 to be NaBe2BO3F2" +mp-1192032,NaSr3Be3B3O9F4,-7.1932503252,-3.2883140716,0.0374914618,0.0374914618,GGA,R3m,A3B3C4DE9F3_hR69_160_b_b_ab_a_bc_b:B-Be-F-Na-O-Sr,23.0,A3B3C4DE9F3_hR69_160_b_b_ab_a_bc_b:B-Be-F-Na-O-Sr +mp-1181808,Mo6H10N2Cl14O,-5.1681463461,-0.7287417124000001,0.3983686116,0.3983686116,GGA+U,P1,A14B10C6D2E_aP66_1_28a_20a_12a_4a_2a:Cl-H-Mo-N-O,66.0,A14B10C6D2E_aP66_1_28a_20a_12a_4a_2a:Cl-H-Mo-N-O +mp-727579,Mo6H10N2Cl14O,-5.1892874909,-0.7498828572,0.3772274667,0.3772274667,GGA+U,Cc,A14B10C6D2E_mC132_9_14a_10a_6a_2a_a:Cl-H-Mo-N-O,66.0,A14B10C6D2E_mC132_9_14a_10a_6a_2a_a:Cl-H-Mo-N-O +mp-1211112,Mo6H2N2Cl14O,-5.1303583652,-0.3560165832,0.887652726,0.887652726,GGA+U,C2/c,A14B2C6D2E_mC100_15_7f_f_3f_ae_e:Cl-H-Mo-N-O,50.0,A14B2C6D2E_mC100_15_7f_f_3f_ae_e:Cl-H-Mo-N-O +mp-735476,MoH2N2Cl5O,-4.4217571166,-0.0132603838,1.0471305941,1.0471305941,GGA+U,Pnma,A5B2CD2E_oP44_62_3cd_d_c_d_c:Cl-H-Mo-N-O,44.0,A5B2CD2E_oP44_62_3cd_d_c_d_c:Cl-H-Mo-N-O +mp-542316,Co2Mo3N,-9.3918119821,-0.2101318413,0.0133710481,0.0133710481,GGA,P4_132,A2B3C_cP24_213_c_d_a:Co-Mo-N,24.0,A2B3C_cP24_213_c_d_a:Co-Mo-N +mp-644838,Co2Mo4N,-9.6223578193,-0.2029676829,0.0,-0.0228546761,GGA,Fd-3m,A2B4C_cF112_227_e_cf_d:Co-Mo-N,28.0,"Invalid WP multiplicities - A2B4C_cF112_227_e_3c4f_d:Co-Mo-N, expected Co2Mo15N to be Co2Mo4N" +mp-22166,Co3Mo3N,-9.0590837307,-0.1735982107,0.0242100366,0.0242100366,GGA,Fd-3m,A3B3C_cF112_227_ce_f_d:Co-Mo-N,28.0,A3B3C_cF112_227_ce_f_d:Co-Mo-N +mp-1226133,CoMo4N5,-9.470468678,-0.253129392,0.2034922329,0.2034922329,GGA,Amm2,AB4C5_oC20_38_a_4a_5b:Co-Mo-N,10.0,AB4C5_oC20_38_a_4a_5b:Co-Mo-N +mp-1246547,CoMoN3,-8.461275589,0.131414947,0.3837145477,0.3837145477,GGA,P-1,ABC3_aP20_2_2i_2i_6i:Co-Mo-N,20.0,ABC3_aP20_2_2i_2i_6i:Co-Mo-N +mp-1204398,CoMoH24N6ClO7,-5.5360300915,-0.8891870872000001,0.0152649585,0.0152649585,GGA+U,Pnma,ABC24DE6F7_oP160_62_c_c_4c10d_c_2c2d_3c2d:Cl-Co-H-Mo-N-O,160.0,ABC24DE6F7_oP160_62_c_c_4c10d_c_2c2d_3c2d:Cl-Co-H-Mo-N-O +mp-1104672,RbHg3N(Cl4O)2,-3.1458732853,-0.8185572323,0.2317774071,0.2317774071,GGA,Cm,A8B3CD2E_mC30_8_8a_3a_a_2a_a:Cl-Hg-N-O-Rb,15.0,A8B3CD2E_mC30_8_8a_3a_a_2a_a:Cl-Hg-N-O-Rb +mp-1179748,RbHgC2N2ClO,-5.3703859981,0.0308340823,0.923991698,0.923991698,GGA,Cmcm,A2BCD2EF_oC32_63_f_c_a_f_c_c:C-Cl-Hg-N-O-Rb,16.0,A2BCD2EF_oC32_63_f_c_a_f_c_c:C-Cl-Hg-N-O-Rb +mp-1202107,HgC8(NCl2)2,-6.0807640468,0.4659120062,0.7854214191000001,0.7854214191000001,GGA,P2_1/c,A8B4CD2_mP60_14_8e_4e_e_2e:C-Cl-Hg-N,60.0,A8B4CD2_mP60_14_8e_4e_e_2e:C-Cl-Hg-N +mp-1188705,HgCNCl3,-3.6188263872,0.2835820732,0.9354412179,0.9354412179,GGA,P3_2,AB3CD_hP18_145_a_3a_a_a:C-Cl-Hg-N,18.0,AB3CD_hP18_145_a_3a_a_a:C-Cl-Hg-N +mp-732350,HgC4NCl3,-5.254835105,0.4229923661,0.8575651293000001,0.8575651293000001,GGA,P2_1,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N,36.0,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N +mp-1196217,HgC4NCl3,-5.3077906325,0.3700368386,0.8046096018000001,0.8046096018000001,GGA,P2_1,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N,36.0,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N +mp-1196399,HgC4NCl3,-5.330978895,0.3468485761,0.7814213393,0.7814213393,GGA,P2_1,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N,36.0,A4B3CD_mP36_4_8a_6a_2a_2a:C-Cl-Hg-N +mp-560574,Hg2C2N2O,-5.7029140825,0.1091388141,0.488498228,0.488498228,GGA,Pnma,A2B2C2D_oP28_62_2c_2c_2c_c:C-Hg-N-O,28.0,"Invalid WP multiplicities - A2B2C2D_oP28_62_4c_5c_6c_c:C-Hg-N-O, expected Hg5C4N6O to be Hg2C2N2O" +mp-1212240,Hg2CN3Cl5,-3.7915605414,0.216457122,0.8474410685,0.8474410685,GGA,C222_1,AB5C2D3_oC44_20_a_b2c_c_ac:C-Cl-Hg-N,22.0,AB5C2D3_oC44_20_a_b2c_c_ac:C-Cl-Hg-N +mp-569515,Hg3C2(N2Cl)2,-5.1936111977,-0.065299825,0.2439008941,0.2439008941,GGA,Pca2_1,A2B2C3D4_oP44_29_2a_2a_3a_4a:C-Cl-Hg-N,44.0,"Invalid WP multiplicities - A2B2C3D4_oP44_29_6a_6a_6a_15a:C-Cl-Hg-N, expected Hg2C2N5Cl2 to be Hg3C2(N2Cl)2" +mp-20781,RbHg(NO2)3,-5.1543950882,-0.0658649536,0.92147182,0.92147182,GGA,Pm-3,AB3C6D_cP11_200_b_c_f_a:Hg-N-O-Rb,11.0,AB3C6D_cP11_200_b_c_f_a:Hg-N-O-Rb +mp-1224207,HgCNO3,-5.1416252283,0.3098592577,1.4115170738,1.4115170738,GGA,P3m1,ABCD3_hP6_156_a_a_b_d:C-Hg-N-O,6.0,ABCD3_hP6_156_a_a_b_d:C-Hg-N-O +mp-568433,Hg2C(NCl)2,-4.5875164454,-0.2723608179,0.2135260264,0.2135260264,GGA,P2_1/c,AB2C2D2_mP28_14_e_2e_ace_2e:C-Cl-Hg-N,28.0,"Invalid WP multiplicities - AB2C2D2_mP28_14_e_7e_2ac2e_5e:C-Cl-Hg-N, expected Hg7C2(N5Cl7)2 to be Hg2C(NCl)2" +mp-1193326,HgCN2Cl2O,-5.2993227618,-0.3208802277,0.491288978,0.491288978,GGA,P-1,AB2CD2E_aP28_2_2i_4i_2i_4i_2i:C-Cl-Hg-N-O,28.0,AB2CD2E_aP28_2_2i_4i_2i_4i_2i:C-Cl-Hg-N-O +mp-1212413,HgCN2Cl2O,-5.2893116521,-0.310869118,0.5013000877,0.5013000877,GGA,P-1,AB2CD2E_aP28_2_2i_4i_2i_4i_2i:C-Cl-Hg-N-O,28.0,AB2CD2E_aP28_2_2i_4i_2i_4i_2i:C-Cl-Hg-N-O +mp-1104028,HgC2(NO)2,-6.4093640114,0.0659757918,0.8246946196,0.8246946196,GGA,Cmce,A2BC2D2_oC28_64_f_a_f_f:C-Hg-N-O,14.0,A2BC2D2_oC28_64_f_a_f_f:C-Hg-N-O +mp-1224387,HgCN2O3,-6.1947956343,-0.3311667998,0.6131113282,0.6131113282,GGA,P3m1,ABC2D3_hP7_156_a_a_ab_d:C-Hg-N-O,7.0,ABC2D3_hP7_156_a_a_ab_d:C-Hg-N-O +mp-1209656,RbHgC3(NO)3,-7.110914068,-0.8545720840000001,0.0780952495,0.0780952495,GGA,Pnma,A3BC3D3E_oP44_62_3c_c_3c_3c_c:C-Hg-N-O-Rb,44.0,A3BC3D3E_oP44_62_3c_c_3c_3c_c:C-Hg-N-O-Rb +mp-1224287,Hg2CNCl5,-3.1995351872,-0.1534013597,0.6178012415,0.6178012415,GGA,C2/m,AB5C2D_mC36_12_i_e4i_2i_i:C-Cl-Hg-N,18.0,AB5C2D_mC36_12_i_e4i_2i_i:C-Cl-Hg-N +mp-1200813,HgC4N6(ClO2)2,-6.8773617662,-0.3643535279,0.4386895387,0.4386895387,GGA,P2_1/c,A4B2CD6E4_mP34_14_2e_e_a_3e_2e:C-Cl-Hg-N-O,34.0,A4B2CD6E4_mP34_14_2e_e_a_3e_2e:C-Cl-Hg-N-O +mp-726668,Hg4C5N4O,-5.479226795,0.638681586,0.8283612929,0.8283612929,GGA,P2_1/c,A5B4C4D_mP56_14_5e_4e_4e_e:C-Hg-N-O,56.0,A5B4C4D_mP56_14_5e_4e_4e_e:C-Hg-N-O +mp-1199879,HgC6(N4Cl)3,-6.5588608048,0.7711038498,0.9503273243,0.9503273243,GGA,P2_1,A6B3CD12_mP44_4_6a_3a_a_12a:C-Cl-Hg-N,44.0,A6B3CD12_mP44_4_6a_3a_a_12a:C-Cl-Hg-N +mp-1192523,Ag2S(NO)4,-5.9810480514,-0.259748377,0.5423507095,0.5423507095,GGA,P-42_1c,A2B4C4D_tP22_114_d_e_e_a:Ag-N-O-S,22.0,A2B4C4D_tP22_114_d_e_e_a:Ag-N-O-S +mp-1204157,AgSNO3,-5.3416450286,-0.3173838738,0.8029803424,0.8029803424,GGA,P31c,ABC3D_hP36_159_c_c_3c_c:Ag-N-O-S,36.0,ABC3D_hP36_159_c_c_3c_c:Ag-N-O-S +mp-560947,Ag4S(NO)2,-4.8550988389,-0.184760933,0.3433327532,0.3433327532,GGA,Pna2_1,A4B2C2D_oP36_33_4a_2a_2a_a:Ag-N-O-S,36.0,"Invalid WP multiplicities - A4B2C2D_oP36_33_13a_4a_5a_a:Ag-N-O-S, expected Ag13SN4O5 to be Ag4S(NO)2" +mp-1183032,Ag3SNO4,-5.1538837917,-0.6252873865,0.3550559415,0.3550559415,GGA,P2_1/c,A3BC4D_mP72_14_ac5e_2e_8e_2e:Ag-N-O-S,72.0,A3BC4D_mP72_14_ac5e_2e_8e_2e:Ag-N-O-S +mp-1221251,Na4NiAg2S8N5O12,-5.2016006016,-0.486922853,0.8579221911,0.8579221911,GGA+U,I4,A2B5C4DE12F8_tI64_79_b_ac_c_a_3c_2c:Ag-N-Na-Ni-O-S,32.0,A2B5C4DE12F8_tI64_79_b_ac_c_a_3c_2c:Ag-N-Na-Ni-O-S +mp-731792,Ag2S(NO)2,-5.3209953261,-0.1255768766,0.55340072,0.55340072,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:Ag-N-O-S,28.0,A2B2C2D_mP28_14_2e_2e_2e_e:Ag-N-O-S +mp-1029466,NaNiN,-5.2430852875,-0.0966996547,0.0684473244,0.0684473244,GGA,Pnma,ABC_oP12_62_c_c_c:N-Na-Ni,12.0,ABC_oP12_62_c_c_c:N-Na-Ni +mp-1194422,Na3SNO8,-5.8616789404,-1.5529073741,0.1641204786,0.1641204786,GGA,P2_1/m,AB3C8D_mP26_11_e_ef_6ef_e:N-Na-O-S,26.0,AB3C8D_mP26_11_e_ef_6ef_e:N-Na-O-S +mp-664362,NaAg(NO2)2,-5.9105771969,-0.8337239479,0.1638443522,0.1638443522,GGA,P1,AB2CD4_aP16_1_2a_4a_2a_8a:Ag-N-Na-O,16.0,"Invalid WP multiplicities - AB2CD4_mC32_5_ab_2c_ab_8c:Ag-N-Na-O, expected NaAg(NO4)2 to be NaAg(NO2)2" +mp-554048,NaAg(NO2)2,-5.9476471381,-0.8707938892,0.1267744109,0.1267744109,GGA,F222,AB2CD4_oF64_22_ac_ej_bd_2k:Ag-N-Na-O,16.0,"Invalid WP multiplicities - AB2CD4_oF64_22_ac_ej_bd_6k:Ag-N-Na-O, expected NaAg(NO6)2 to be NaAg(NO2)2" +mp-558460,NaAg(NO2)2,-5.9524933375,-0.8756400885000001,0.1219282115,0.1219282115,GGA,Fdd2,AB2CD4_oF64_43_a_2a_a_2b:Ag-N-Na-O,16.0,"Invalid WP multiplicities - AB2CD4_oF64_43_a_2a_a_4b:Ag-N-Na-O, expected NaAg(NO4)2 to be NaAg(NO2)2" +mp-1246240,Na3NiN2,-4.3602372046,0.0432131971,0.2083601762,0.2083601762,GGA,I4_1/amd,A2B3C_tI48_141_h_eg_e:N-Na-Ni,24.0,A2B3C_tI48_141_h_eg_e:N-Na-Ni +mp-1245998,Na3NiN2,-4.1086872027,0.294763199,0.4599101781,0.4599101781,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Ni,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Ni +mp-1182998,Ag3S(NO)3,-5.0666174042,0.1817494743,0.8605461307000001,0.8605461307000001,GGA,Pbcm,A3B3C3D_oP40_57_de_3d_de_d:Ag-N-O-S,40.0,A3B3C3D_oP40_57_de_3d_de_d:Ag-N-O-S +mp-1180178,NiS2(NO7)2,-5.5216893458000005,-0.2596015447,0.8585389179,0.8585389179,GGA+U,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:N-Ni-O-S,38.0,A2BC14D2_mP38_14_e_a_7e_e:N-Ni-O-S +mp-1210176,Ni2S3(NO6)2,-6.0883661692,-0.8250568352000001,0.6429824834,0.6429824834,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:N-Ni-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:N-Ni-O-S +mp-556747,Ag3SNO3,-5.0023266722,-0.5259918052,0.3225040153,0.3225040153,GGA,P2_13,A3BC3D_cP32_198_b_a_b_a:Ag-N-O-S,32.0,A3BC3D_cP32_198_b_a_b_a:Ag-N-O-S +mp-559653,SrCa(CO3)2,-7.8689222355,-2.6856665769,0.0091070613,0.0091070613,GGA,Pmc2_1,A2BC6D_oP20_26_ab_a_ab2c_b:C-Ca-O-Sr,20.0,"Invalid WP multiplicities - A2BC6D_oP20_26_ab_a_2a2b6c_b:C-Ca-O-Sr, expected SrCa(CO8)2 to be SrCa(CO3)2" +mp-707897,Ca4Al2H22CO20,-5.9568597959,-1.9095952268,0.0130751864,0.0130751864,GGA,P1,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O,49.0,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O +mp-729544,Ca4Al2H22CO20,-0.8874782927,3.1597862765,5.0824566897,5.0824566897,GGA,P1,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O,49.0,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O +mp-1371750,Ca4Al2H22CO20,-3.9777582182,0.069506351,1.9921767642,1.9921767642,GGA,P1,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O,49.0,A2BC4D22E20_aP49_1_2a_a_4a_22a_20a:Al-C-Ca-H-O +mp-1208735,SrAl2H6C2O11,-6.8258737837,-2.1709688659,0.0,-0.0036575282,GGA,Pnma,A2B2C6D11E_oP88_62_d_2c_4cd_7c2d_c:Al-C-H-O-Sr,88.0,A2B2C6D11E_oP88_62_d_2c_4cd_7c2d_c:Al-C-H-O-Sr +mp-1194615,CaAl2H12(CO7)2,-6.3540030213,-1.9049566657,0.0034082336,0.0034082336,GGA,P-1,A2B2CD12E14_aP62_2_2i_2i_i_12i_14i:Al-C-Ca-H-O,62.0,A2B2CD12E14_aP62_2_2i_2i_i_12i_14i:Al-C-Ca-H-O +mp-1218664,Sr3CaAl8H24(C2O11)4,-6.8270337187,-2.1685366824,0.0008357136,0.0008357136,GGA,Pm,A8B8CD24E44F3_mP88_6_4c_4a4b_a_8a8b4c_14a14b8c_a2b:Al-C-Ca-H-O-Sr,88.0,"Invalid WP multiplicities - A8B8CD24E44F3_mP88_6_8c_4a4b_a_8a8b8c_14a14b16c_a2b:Al-C-Ca-H-O-Sr, expected Sr3CaAl16H32(C2O15)4 to be Sr3CaAl8H24(C2O11)4" +mp-696776,BaAl3P2(HO7)2,-7.0656369873,-2.5192096468000003,0.1166882293,0.1166882293,GGA,C2/m,A3BC2D14E2_mC44_12_ae_c_i_3i2j_i:Al-Ba-H-O-P,22.0,A3BC2D14E2_mC44_12_ae_c_i_3i2j_i:Al-Ba-H-O-P +mp-1192373,Ba3AlP3,-4.6891315882,-1.0116447068,0.0,-0.0408137161,GGA,Cmce,AB3C3_oC56_64_d_fg_fg:Al-Ba-P,28.0,AB3C3_oC56_64_d_fg_fg:Al-Ba-P +mp-733968,BaCaP2(HO4)2,-7.1719363575,-2.8069262423,0.0,-0.0022319538,GGA,P2_1/c,ABC2D8E2_mP56_14_e_e_2e_8e_2e:Ba-Ca-H-O-P,56.0,ABC2D8E2_mP56_14_e_e_2e_8e_2e:Ba-Ca-H-O-P +mp-1193850,Ca2AlP2O9,-7.5935659932,-3.0861674929,0.0756396398,0.0756396398,GGA,P2_1/m,AB2C9D2_mP28_11_a_2e_5e2f_2e:Al-Ca-O-P,28.0,AB2C9D2_mP28_11_a_2e_5e2f_2e:Al-Ca-O-P +mp-1196964,Ba3Al3P5,-4.9305013092,-0.925031778,0.0,-0.0249282952,GGA,R-3c,A3B3C5_hR198_167_ef_acf_e2f:Al-Ba-P,66.0,A3B3C5_hR198_167_ef_acf_e2f:Al-Ba-P +mp-1214480,BaAl3(PO7)2,-7.0379059485,-2.3761084785,0.3310710821,0.3310710821,GGA,Cm,A3BC14D2_mC40_8_ab_a_6a4b_2a:Al-Ba-O-P,20.0,A3BC14D2_mC40_8_ab_a_6a4b_2a:Al-Ba-O-P +mp-1214482,BaAl3(PO7)2,-7.036898303,-2.375100833,0.3320787276,0.3320787276,GGA,R-3m,A3BC14D2_hR60_166_d_a_c2h_c:Al-Ba-O-P,20.0,"Invalid WP multiplicities - A3BC14D2_hR60_166_d_a_2c5h_c:Al-Ba-O-P, expected BaAl3(PO17)2 to be BaAl3(PO7)2" +mp-726645,BaAl2(PO5)2,-7.5464260793,-2.8995181643,0.1207223468,0.1207223468,GGA,P-1,A2BC10D2_aP15_2_i_a_5i_i:Al-Ba-O-P,15.0,A2BC10D2_aP15_2_i_a_5i_i:Al-Ba-O-P +mp-1233113,BaCaAl3P2(HO7)2,-7.1964347687,-2.7604781874,0.1028142562,0.1028142562,GGA,Cm,A3BCD2E14F2_mC46_8_ab_a_a_2a_6a4b_2a:Al-Ba-Ca-H-O-P,23.0,A3BCD2E14F2_mC46_8_ab_a_a_2a_6a4b_2a:Al-Ba-Ca-H-O-P +mp-1202948,Ba3(AlP2)2,-4.8425422706,-0.9646215476,0.0,-0.0059069639,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:Al-Ba-P,36.0,A2B3C4_oP36_62_d_cd_2cd:Al-Ba-P +mp-758007,Ba2CaP4(H3O8)2,-6.94267275,-2.5633577349000003,0.0,-0.0055344333,GGA,P2_1/c,A2BC6D16E4_mP58_14_e_a_3e_8e_2e:Ba-Ca-H-O-P,58.0,"Invalid WP multiplicities - A2BC6D16E4_mP58_14_e_a_9e_29e_3e:Ba-Ca-H-O-P, expected Ba2CaP6(H9O29)2 to be Ba2CaP4(H3O8)2" +mp-849748,NaMgP3(H4O5)2,-6.0471095178,-1.8831352424,0.0001856915,0.0001856915,GGA,Pbca,A8BCD10E3_oP184_61_8c_c_c_10c_3c:H-Mg-Na-O-P,184.0,"Invalid WP multiplicities - A8BCD10E3_oP184_61_29c_c_c_37c_9c:H-Mg-Na-O-P, expected NaMgP9H29O37 to be NaMgP3(H4O5)2" +mp-643658,Na3MgP2HO8,-6.567642502,-2.6102627234,0.0,-0.0076880382,GGA,P-1,ABC3D8E2_aP15_2_c_b_ai_4i_i:H-Mg-Na-O-P,15.0,ABC3D8E2_aP15_2_c_b_ai_4i_i:H-Mg-Na-O-P +mp-703517,NaMgPH12O11,-5.5433607746,-1.5640378433,0.0978092617,0.0978092617,GGA,P4_2/mmc,A12BCD11E_tP52_131_or_c_b_fioq_e:H-Mg-Na-O-P,52.0,A12BCD11E_tP52_131_or_c_b_fioq_e:H-Mg-Na-O-P +mp-741045,Na4AlP2HO9,-6.6177329721,-2.6309561213,0.0,-0.0120359996,GGA,Pbcm,ABC4D9E2_oP136_57_ab_2d_4c2de_10d4e_4d:Al-H-Na-O-P,136.0,ABC4D9E2_oP136_57_ab_2d_4c2de_10d4e_4d:Al-H-Na-O-P +mp-1210892,NaMgAl5P4(H5O12)2,-6.8583905399,-2.5039086723,0.0057595606,0.0057595606,GGA,C2/c,A5B10CDE24F4_mC180_15_a2f_5f_c_e_12f_2f:Al-H-Mg-Na-O-P,90.0,A5B10CDE24F4_mC180_15_c2f_5f_a_e_12f_2f:Al-H-Mg-Na-O-P +mp-1198443,Na2Al3P3(HO7)2,-7.2105986036,-2.7872327851,0.0096433184,0.0096433184,GGA,P2_12_12_1,A3B2C2D14E3_oP96_19_3a_2a_2a_14a_3a:Al-H-Na-O-P,96.0,A3B2C2D14E3_oP96_19_3a_2a_2a_14a_3a:Al-H-Na-O-P +mp-1195867,NaMgPH18O13,-5.5205272837,-1.5878175805,0.022373917,0.022373917,GGA,P-1,A18BCD13E_aP136_2_36i_2i_2i_26i_2i:H-Mg-Na-O-P,136.0,A18BCD13E_aP136_2_36i_2i_2i_26i_2i:H-Mg-Na-O-P +mp-2715031,Na4MgAl(PO4)3,-6.912552814,-2.8060704755,0.0154387166,0.0154387166,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Al-Mg-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Al-Mg-Na-O-P, expected Na4MgAl(PO12)3 to be Na4MgAl(PO4)3" +mp-707530,Na3AlP2H2O9,-6.6542004879,-2.5456471224,0.0,-0.0100625104,GGA,C2/m,AB2C3D9E2_mC68_12_e_2i_fgi_5i2j_2i:Al-H-Na-O-P,34.0,AB2C3D9E2_mC68_12_f_2i_egi_5i2j_2i:Al-H-Na-O-P +mp-1220886,NaAl3P2(HO3)4,-6.9806113603,-2.6025647007,0.0047275,0.0047275,GGA,P2_1,A3B4CD12E2_mP88_4_6a_8a_2a_24a_4a:Al-H-Na-O-P,88.0,"Invalid WP multiplicities - A3B4CD12E2_mP88_4_9a_11a_3a_36a_6a:Al-H-Na-O-P, expected Na3Al9P6H11O36 to be NaAl3P2(HO3)4" +mp-706525,NaAl3P2(HO3)4,-6.9793834469,-2.6013367873,0.0059554134,0.0059554134,GGA,P2_1/c,A3B4CD12E2_mP88_14_3e_4e_e_12e_2e:Al-H-Na-O-P,88.0,A3B4CD12E2_mP88_14_3e_4e_e_12e_2e:Al-H-Na-O-P +mp-1195665,NaMg3P3(HO6)2,-6.9354345052,-2.7207207153,0.0,-0.0034721238,GGA,C2/c,A2B3CD12E3_mC84_15_f_ef_e_6f_ef:H-Mg-Na-O-P,42.0,A2B3CD12E3_mC84_15_f_ef_e_6f_ef:H-Mg-Na-O-P +mp-1197995,Na2MgP4(H2O3)6,-6.2430936568,-2.0362923052,0.0111217475,0.0111217475,GGA,P2_1/m,A12BC2D18E4_mP74_11_6f_e_2e_4e7f_2f:H-Mg-Na-O-P,74.0,A12BC2D18E4_mP74_11_6f_e_2e_4e7f_2f:H-Mg-Na-O-P +mp-1197608,Na3MgP3(H12O11)2,-5.7425795858,-1.7414410918,0.0148723912,0.0148723912,GGA,P2_1/c,A24BC3D22E3_mP212_14_24e_e_3e_22e_3e:H-Mg-Na-O-P,212.0,A24BC3D22E3_mP212_14_24e_e_3e_22e_3e:H-Mg-Na-O-P +mp-2714118,Na7MgAl3(PO4)6,-7.0732204508,-2.8465124336,0.0091412657,0.0091412657,GGA,P1,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Al-Mg-Na-O-P,123.0,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Al-Mg-Na-O-P +mp-24505,MgAl2P2(HO)18,-6.0457351739,-1.8987229218,0.0196091376,0.0196091376,GGA,P-1,A2B18CD18E2_aP41_2_ac_9i_f_9i_i:Al-H-Mg-O-P,41.0,"Invalid WP multiplicities - A2B18CD18E2_aP41_2_ac_11i_f_11i_i:Al-H-Mg-O-P, expected MgAl2P2(HO)22 to be MgAl2P2(HO)18" +mp-1173829,Na2Ga2Si3(HO3)4,-6.6685645682,-2.4116791144,0.0010072231,0.0010072231,GGA,P1,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Ga-H-Na-O-Si,92.0,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Ga-H-Na-O-Si +mp-1173846,Na2Ga2Si3(HO3)4,-6.1494018028,-1.892516349,0.5201699884000001,0.5201699884000001,GGA,P1,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Ga-H-Na-O-Si,92.0,A2B4C2D12E3_aP92_1_8a_16a_8a_48a_12a:Ga-H-Na-O-Si +mp-686308,Na6Ga5Si7H15O32,-6.2722173838,-2.1147129605,0.1423492536,0.1423492536,GGA,P1,A5B15C6D32E7_aP65_1_5a_15a_6a_32a_7a:Ga-H-Na-O-Si,65.0,A5B15C6D32E7_aP65_1_5a_15a_6a_32a_7a:Ga-H-Na-O-Si +mp-1173745,Na6Ga5Si7H15O32,-6.2888289794,-2.131324556,0.1257376581,0.1257376581,GGA,P1,A5B15C6D32E7_aP65_1_5a_15a_6a_32a_7a:Ga-H-Na-O-Si,65.0,A5B15C6D32E7_aP65_1_5a_15a_6a_32a_7a:Ga-H-Na-O-Si +mp-862999,NaSi2BH2O7,-7.1533780885,-2.5176222275,0.1022069171,0.1022069171,GGA,P2_1,AB2CD7E2_mP26_4_a_2a_a_7a_2a:B-H-Na-O-Si,26.0,AB2CD7E2_mP26_4_a_2a_a_7a_2a:B-H-Na-O-Si +mp-534870,Na4Ga3Si3B(HO3)4,-6.3191422280000005,-2.2354050496,0.0,-0.0247879062,GGA,P-43n,AB3C4D4E12F3_cP54_218_a_c_e_e_i_d:B-Ga-H-Na-O-Si,54.0,AB3C4D4E12F3_cP54_218_a_c_e_e_i_d:B-Ga-H-Na-O-Si +mp-1201904,KNaSi5SnO16,-6.9088689217,-2.2123645206,0.3871701289,0.3871701289,GGA,C2/m,ABC16D5E_mC96_12_i_g_2i7j_h2j_e:K-Na-O-Si-Sn,48.0,ABC16D5E_mC96_12_i_h_2i7j_g2j_e:K-Na-O-Si-Sn +mp-2716393,K3NaSi3(SnO6)2,-6.7915009942,-2.5863064957,0.0604650619,0.0604650619,GGA,R-3c,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Sn,126.0,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Sn +mp-1224587,K3NaSi6(SnO10)2,-7.0535682448,-2.548613612,0.1411424119,0.1411424119,GGA,P2_1,A3BC20D6E2_mP64_4_3a_a_20a_6a_2a:K-Na-O-Si-Sn,64.0,A3BC20D6E2_mP64_4_3a_a_20a_6a_2a:K-Na-O-Si-Sn +mp-1211795,KNaSi5SnW3O13,-7.5407873531,-1.8428527622,0.7566818872000001,0.7566818872000001,GGA+U,C2/m,ABC13D5EF3_mC96_12_i_g_i6j_h2j_e_ij:K-Na-O-Si-Sn-W,48.0,ABC13D5EF3_mC96_12_i_h_i6j_g2j_e_ij:K-Na-O-Si-Sn-W +mp-2716543,NaMgTi3P3(SO8)3,-7.6494941701,-2.6786636677,0.0096558022,0.0096558022,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Ti,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Ti +mp-2713207,Ti2P2SO12,-8.1107949431,-2.8099535638,0.0,-0.0202619742,GGA,Cc,A12B2CD2_mC68_9_12a_2a_a_2a:O-P-S-Ti,102.0,"Invalid WP multiplicities - A12B2CD2_mC68_9_60a_7a_a_6a:O-P-S-Ti, expected Ti6P7SO60 to be Ti2P2SO12" +mp-2712522,Na3Mg3TiPS5O24,-6.8044023603,-2.4400783344,0.0142530278,0.0142530278,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Ti,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Ti +mp-2713030,Na7Mg3TiP5SO24,-6.9380852714,-2.7459511082,0.0226679251,0.0226679251,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Ti,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Ti +mp-2716170,NaTi4P5SO24,-8.1387954877,-2.9151387783,0.0040714671,0.0040714671,GGA,P1,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Ti,105.0,AB24C5DE4_aP105_1_3a_72a_15a_3a_12a:Na-O-P-S-Ti +mp-2715134,Na5Mg2Ti2P5SO24,-7.2939633282,-2.7932540443,0.0329919898,0.0329919898,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Ti +mp-2715866,Na3MgTi3P5SO24,-7.7039343256,-2.8612904485,0.0274565489,0.0274565489,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Ti,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Ti +mp-2713136,Na4Mg3TiP2(SO6)4,-6.8353427454,-2.5174646693,0.0346587994,0.0346587994,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Ti,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Ti +mp-2714226,NaMg2Ti2PS5O24,-7.1648806091,-2.4468763138,0.0105523807,0.0105523807,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Ti,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Ti +mp-2713960,Na3Mg2Ti2P3(SO8)3,-7.2529066441,-2.6494226927,0.0236407914,0.0236407914,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Ti,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Ti +mp-2712753,Na2MgTi3P4(SO12)2,-7.6837370596,-2.7787802397,0.0177004126,0.0177004126,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Ti,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Ti +mp-2714346,NaMgTiP(SO6)2,-7.2024118271,-2.543258264,0.0273059293,0.0273059293,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Mg-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Mg-Na-O-P-S-Ti, expected NaMgTiPS3O20 to be NaMgTiP(SO6)2" +mp-2712653,Na6Mg3TiP4(SO12)2,-6.9065953337,-2.6746422647,0.0340667267,0.0340667267,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Ti,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Ti +mp-2713320,Na2MgTiP2SO12,-7.2624670017,-2.7117226823,0.0504084178,0.0504084178,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Mg-Na-O-P-S-Ti,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Mg-Na-O-P-S-Ti, expected Na2MgTiP7SO60 to be Na2MgTiP2SO12" +mp-2714840,Na5Mg3TiP3(SO8)3,-6.8713545612,-2.5975405913,0.0444677343,0.0444677343,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Ti +mp-2713070,MgTi3P2(SO6)4,-7.6059977939,-2.5654186865,0.0030336487,0.0030336487,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Ti,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Ti +mp-1225700,Cu6AuN2,-4.7886081089,0.1605154322,0.1767662111,0.1767662111,GGA,P4/mmm,AB6C2_tP9_123_c_abi_g:Au-Cu-N,9.0,AB6C2_tP9_123_c_abi_g:Au-Cu-N +mp-1232366,CuAuClO2,-4.432038944,-0.6090383935,0.1277789343,0.1277789343,GGA,P1,ABCD2_aP10_1_2a_2a_2a_4a:Au-Cl-Cu-O,10.0,"Invalid WP multiplicities - ABCD2_aP10_2_i_i_ae_4i:Au-Cl-Cu-O, expected CuAuClO4 to be CuAuClO2" +mp-1190989,CuAu2C4N4(Cl2O3)2,-5.5806080076,0.0375772899,1.0267381268,1.0267381268,GGA,P-1,A2B4C4DE4F6_aP21_2_ab_2i_2i_e_2i_3i:Au-C-Cl-Cu-N-O,21.0,A2B4C4DE4F6_aP21_2_ab_2i_2i_e_2i_3i:Au-C-Cl-Cu-N-O +mp-1101883,Cu3N4Cl4O,-3.6486354383,1.1834008168,1.7990442450000002,1.7990442450000002,GGA,I4/mmm,A4B3C4D_tI24_139_i_bd_h_a:Cl-Cu-N-O,12.0,A4B3C4D_tI24_139_i_bd_h_a:Cl-Cu-N-O +mp-734395,CuN6(ClO4)3,-4.2449702695,1.1652138548,1.8524293191,1.8524293191,GGA,P-42_1m,A3BC6D12_tP44_113_ce_a_bcf_4ef:Cl-Cu-N-O,44.0,A3BC6D12_tP44_113_ce_a_bcf_4ef:Cl-Cu-N-O +mp-1198967,AuCN3Cl4,-4.413084775,0.5764906592,0.9944566895,0.9944566895,GGA,P2_1/c,ABC4D3_mP36_14_ad_e_4e_3e:Au-C-Cl-N,36.0,ABC4D3_mP36_14_ad_e_4e_3e:Au-C-Cl-N +mp-561703,AuCClO,-5.6030567575,-0.7786135416000001,0.1463720216,0.1463720216,GGA,Cmcm,ABCD_oC16_63_c_c_c_c:Au-C-Cl-O,8.0,ABCD_oC16_63_c_c_c_c:Au-C-Cl-O +mp-1182487,AuCClO,-5.5773560538,-0.7529128378000001,0.1720727253,0.1720727253,GGA,Cmcm,ABCD_oC16_63_c_c_c_c:Au-C-Cl-O,8.0,ABCD_oC16_63_c_c_c_c:Au-C-Cl-O +mp-1181556,CuN2(Cl2O)2,-3.5142460089,0.7146118336,1.289447045,1.289447045,GGA,P1,A4BC2D2_aP18_1_8a_2a_4a_4a:Cl-Cu-N-O,18.0,"Invalid WP multiplicities - A4BC2D2_aP18_2_4i_be_4i_4i:Cl-Cu-N-O, expected CuN4(ClO)4 to be CuN2(Cl2O)2" +mp-1188453,CuN2(Cl2O)2,-3.2886344511,0.9402233914,1.5150586028,1.5150586028,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_d_e:Cl-Cu-N-O,18.0,A4BC2D2_tP18_136_fg_a_d_e:Cl-Cu-N-O +mp-1189905,CuN2(Cl2O)2,-3.3661724094,0.8626854331,1.4375206444,1.4375206444,GGA,P4_2/mnm,A4BC2D2_tP18_136_j_a_d_e:Cl-Cu-N-O,18.0,A4BC2D2_tP18_136_j_a_d_e:Cl-Cu-N-O +mp-1213044,CuN2(Cl2O)2,-3.07899243,1.1498654125,1.7247006239,1.7247006239,GGA,I4/mmm,A4BC2D2_tI18_139_h_a_d_e:Cl-Cu-N-O,9.0,A4BC2D2_tI18_139_h_a_d_e:Cl-Cu-N-O +mp-1217748,Te4H4Pb12C2Cl3O29,-5.9616441896,-1.5514070381,0.0218577375,0.0218577375,GGA,P1,A2B3C4D29E12F4_aP54_1_2a_3a_4a_29a_12a_4a:C-Cl-H-O-Pb-Te,54.0,A2B3C4D29E12F4_aP54_1_2a_3a_4a_29a_12a_4a:C-Cl-H-O-Pb-Te +mp-734875,H2Pb4C(Cl3O2)2,-5.2070470118,-1.5751246196,0.0098701785,0.0098701785,GGA,P2_1/m,AB6C2D4E4_mP34_11_e_2e2f_f_2ef_2ef:C-Cl-H-O-Pb,34.0,AB6C2D4E4_mP34_11_e_2e2f_f_2ef_2ef:C-Cl-H-O-Pb +mp-705517,CsCoH18N6(ClO2)4,-4.9576597326,-0.5876751311,0.5067420809000001,0.5067420809000001,GGA+U,Cm,A4BCD18E6F8_mC76_8_4a_a_a_2a8b_2a2b_4a2b:Cl-Co-Cs-H-N-O,38.0,"Invalid WP multiplicities - A4BCD18E6F8_mC76_8_4a_a_a_2a15b_2a3b_4a2b:Cl-Co-Cs-H-N-O, expected CsCoH32N8(ClO2)4 to be CsCoH18N6(ClO2)4" +mp-735563,CsCoH18N6(ClO2)4,-5.0966533321,-0.7266687306,0.3677484814,0.3677484814,GGA+U,R-3,A4BCD18E6F8_hR114_148_2c_a_b_3f_f_cf:Cl-Co-Cs-H-N-O,38.0,A4BCD18E6F8_hR114_148_2c_a_b_3f_f_cf:Cl-Co-Cs-H-N-O +mp-684976,CsCoH18N6(ClO2)4,-4.9178736271,-0.5478890256,0.5465281864,0.5465281864,GGA+U,R3m,A4BCD18E6F8_hR114_160_4a_a_a_2b2c_2b_2a2b:Cl-Co-Cs-H-N-O,38.0,"Invalid WP multiplicities - A4BCD18E6F8_hR114_160_4a_a_a_4b3c_2b_2a2b:Cl-Co-Cs-H-N-O, expected CsCoH30N6(ClO2)4 to be CsCoH18N6(ClO2)4" +mp-726198,NaNiP2HO7,-6.9591054336,-2.2967042661,0.0,-0.0052158122,GGA+U,P1,ABCD7E2_aP72_1_6a_6a_6a_42a_12a:H-Na-Ni-O-P,72.0,ABCD7E2_aP72_1_6a_6a_6a_42a_12a:H-Na-Ni-O-P +mp-1220970,NaNiP2HO7,-6.9576308833,-2.2952297158,0.0014745503,-0.0037412619,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Na-Ni-O-P,24.0,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Na-Ni-O-P +mp-740710,Na2LiP3H8O13,-6.1911441278,-2.0340092174,0.033323141,0.033323141,GGA,P-1,A8BC2D13E3_aP54_2_8i_i_2i_13i_3i:H-Li-Na-O-P,54.0,A8BC2D13E3_aP54_2_8i_i_2i_13i_3i:H-Li-Na-O-P +mp-723426,NaLiP2(H4O5)2,-6.0175071377,-1.8962912901,0.0338614601,0.0338614601,GGA,R-3c,A8BCD10E2_hR396_167_4f_e_ac_5f_f:H-Li-Na-O-P,132.0,A8BCD10E2_hR396_167_4f_e_ac_5f_f:H-Li-Na-O-P +mp-1190479,Na2Ni3P2(HO5)2,-6.6076156179000005,-2.0252785209,0.0073398122,0.0073398122,GGA+U,C2/m,A2B2C3D10E2_mC38_12_i_i_ah_3ij_i:H-Na-Ni-O-P,19.0,A2B2C3D10E2_mC38_12_i_i_ah_3ij_i:H-Na-Ni-O-P +mp-40575,LiNi2P4H3O14,-7.0065545369,-2.2334617725,0.0,-0.0110848128,GGA+U,Cc,A3BC2D14E4_mC96_9_3a_a_2a_14a_4a:H-Li-Ni-O-P,48.0,"Invalid WP multiplicities - A3BC2D14E4_mC96_9_4a_a_3a_28a_8a:H-Li-Ni-O-P, expected LiNi3P8(HO7)4 to be LiNi2P4H3O14" +mp-754131,LiNiPHO5,-6.5717600067,-1.990812045,0.0631522055,0.0631522055,GGA+U,P-1,ABCD5E_aP18_2_i_i_ab_5i_i:H-Li-Ni-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_i_i_ab_9i_i:H-Li-Ni-O-P, expected LiNiPHO9 to be LiNiPHO5" +mp-849272,Li4Ni2P4H3O16,-6.7208848828,-2.2321134218,0.0536262947,0.0536262947,GGA+U,P1,A3B4C2D16E4_aP29_1_3a_4a_2a_16a_4a:H-Li-Ni-O-P,29.0,A3B4C2D16E4_aP29_1_3a_4a_2a_16a_4a:H-Li-Ni-O-P +mp-1200779,Na2NiP2(HO3)2,-6.2958433617,-2.0098913127,0.0898504302,0.0898504302,GGA+U,Pnma,A2B2CD6E2_oP52_62_2c_2c_c_2c2d_2c:H-Na-Ni-O-P,52.0,A2B2CD6E2_oP52_62_2c_2c_c_2c2d_2c:H-Na-Ni-O-P +mp-1204808,Na2Li2NiP6(H4O5)6,-6.0592610056,-1.8354312447,0.0436354091,0.0436354091,GGA+U,C2/c,A24B2C2DE30F6_mC260_15_12f_f_f_e_15f_3f:H-Li-Na-Ni-O-P,130.0,A24B2C2DE30F6_mC260_15_12f_f_f_e_15f_3f:H-Li-Na-Ni-O-P +mp-2214625,Mn3VCr2(PO4)6,-8.2197597264,-2.4676377543,0.0808579581,0.0808579581,GGA+U,P1,A2B3C24D6E_aP36_1_2a_3a_24a_6a_a:Cr-Mn-O-P-V,36.0,A2B3C24D6E_aP36_1_2a_3a_24a_6a_a:Cr-Mn-O-P-V +mp-760303,Mn3VCr2(PO4)6,-8.2185157014,-2.4663937293,0.0821019831,0.0821019831,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cr-Mn-O-P-V, expected Mn3VCr2(PO10)6 to be Mn3VCr2(PO4)6" +mp-775773,MnV3Cr2(PO4)6,-8.3102255036,-2.5624429327,0.0685515675,0.0685515675,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cr-Mn-O-P-V, expected MnV3Cr2(PO10)6 to be MnV3Cr2(PO4)6" +mp-2220589,MgMn5Cr(PO4)6,-8.1527819049,-2.5240319565,0.0419575262,0.0419575262,GGA+U,P1,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P,37.0,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P +mp-2220219,MgMn5Cr(PO4)6,-8.0826961216,-2.4539461732,0.1120433095,0.1120433095,GGA+U,P1,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P,37.0,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P +mp-2220287,MgMn5Cr(PO4)6,-8.1493084241,-2.5205584757,0.045431007,0.045431007,GGA+U,P1,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P,37.0,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P +mp-2220422,MgMn5Cr(PO4)6,-8.0851314735,-2.4563815251,0.1096079576,0.1096079576,GGA+U,P1,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P,37.0,ABC5D24E6_aP37_1_a_a_5a_24a_6a:Cr-Mg-Mn-O-P +mp-769568,Mn2V3Cr(PO4)6,-8.3464882281,-2.6123454399,0.0,-0.0024225139,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Mn-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Cr-Mn-O-P-V, expected Mn2V3Cr(PO10)6 to be Mn2V3Cr(PO4)6" +mp-756885,MnV4CrO12,-8.6737995683,-2.3120800363000003,0.0574781724,0.0574781724,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cr-Mn-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Cr-Mn-O-V, expected MnV8CrO24 to be MnV4CrO12" +mp-1233346,MgMn3VCr2(PO4)6,-8.1342674789,-2.4943574506,0.145850434,0.145850434,GGA+U,P1,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V,37.0,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V +mp-1234159,MgMn3VCr2(PO4)6,-8.16286236,-2.5229523317,0.1172555529,0.1172555529,GGA+U,P1,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V,37.0,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V +mp-1234260,MgMn3VCr2(PO4)6,-8.1653583303,-2.525448302,0.1147595826,0.1147595826,GGA+U,P1,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V,37.0,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V +mp-1234744,MgMn3VCr2(PO4)6,-8.1177794608,-2.4778694325,0.1623384521,0.1623384521,GGA+U,P1,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V,37.0,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V +mp-1234827,MgMn3VCr2(PO4)6,-8.1687409957,-2.5288309674,0.1113769172,0.1113769172,GGA+U,P1,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V,37.0,A2BC3D24E6F_aP37_1_2a_a_3a_24a_6a_a:Cr-Mg-Mn-O-P-V +mp-2713103,LaSnP(SO6)2,-7.2472792591,-2.4242177453,0.0346127008,0.0346127008,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:La-O-P-S-Sn,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:La-O-P-S-Sn, expected LaSnPS3O20 to be LaSnP(SO6)2" +mp-2712708,NaLaSnP2SO12,-7.3010882444,-2.6015647073,0.096307887,0.096307887,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:La-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:La-Na-O-P-S-Sn, expected NaLaSnP7SO60 to be NaLaSnP2SO12" +mp-2716113,Na3La2Sn2P5SO24,-7.3565708741,-2.7138080289,0.0726704506,0.0726704506,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Sn +mp-2716337,NaLa2Sn2P3(SO8)3,-7.273185997,-2.5136582997,0.0789247694,0.0789247694,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Sn,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Sn +mp-1203355,KNaAl6Si6(HO6)4,-7.5125825544,-2.9947320627,0.0136145831,0.0136145831,GGA,P1,A6B4CDE24F6_aP168_1_24a_16a_4a_4a_96a_24a:Al-H-K-Na-O-Si,168.0,A6B4CDE24F6_aP168_1_24a_16a_4a_4a_96a_24a:Al-H-K-Na-O-Si +mp-1197973,KNaAl6Si6(HO6)4,-7.5146568348,-2.9968063431000003,0.0115403027,0.0115403027,GGA,P2,A6B4CDE24F6_mP84_3_6e_4e_ac_bd_24e_6e:Al-H-K-Na-O-Si,84.0,"Invalid WP multiplicities - A6B4CDE24F6_mP84_3_10e_4e_ab_cd_48e_10e:Al-H-K-Na-O-Si, expected KNaAl10Si10(HO12)4 to be KNaAl6Si6(HO6)4" +mp-1201038,KNaAl6Si6(HO6)4,-7.5116994679,-2.9938489762,0.0144976696,0.0144976696,GGA,P2,A6B4CDE24F6_mP168_3_12e_8e_a2bc_ac2d_48e_12e:Al-H-K-Na-O-Si,168.0,"Invalid WP multiplicities - A6B4CDE24F6_mP168_3_20e_8e_ab2c_ab2d_96e_20e:Al-H-K-Na-O-Si, expected KNaAl10Si10(HO12)4 to be KNaAl6Si6(HO6)4" +mp-1197226,KNaAl6Si6(HO6)4,-7.5145685769,-2.9967180852,0.0116285606,0.0116285606,GGA,P2/c,A6B4CDE24F6_mP84_13_3g_2g_e_f_12g_3g:Al-H-K-Na-O-Si,84.0,"Invalid WP multiplicities - A6B4CDE24F6_mP84_13_9g_2g_e_f_48g_9g:Al-H-K-Na-O-Si, expected KNaAl18Si18(HO24)4 to be KNaAl6Si6(HO6)4" +mp-1211839,KAl2Si4(HO6)2,-7.4334267331,-2.8406391449,0.1406191683,0.1406191683,GGA,C2/c,A2B2CD12E4_mC84_15_f_f_e_6f_2f:Al-H-K-O-Si,42.0,A2B2CD12E4_mC84_15_f_f_e_6f_2f:Al-H-K-O-Si +mp-1203739,K3NaAl12Si12(HO6)8,-7.5146435573,-2.9993183792,0.0141200636,0.0141200636,GGA,P2/c,A12B8C3DE48F12_mP168_13_6g_4g_eg_f_24g_6g:Al-H-K-Na-O-Si,168.0,"Invalid WP multiplicities - A12B8C3DE48F12_mP168_13_20g_8g_2e2g_f_96g_20g:Al-H-K-Na-O-Si, expected K6NaAl40Si40(HO12)16 to be K3NaAl12Si12(HO6)8" +mp-1223470,KNa7Al8(SiO4)8,-7.4691709823,-3.1472198102,0.0084464588,0.0084464588,GGA,P1,A8BC7D32E8_aP56_1_8a_a_7a_32a_8a:Al-K-Na-O-Si,56.0,A8BC7D32E8_aP56_1_8a_a_7a_32a_8a:Al-K-Na-O-Si +mp-1223717,KAl3Si3(HO6)2,-7.5153111331,-3.0025112687,0.0160189712,0.0160189712,GGA,Cc,A3B2CD12E3_mC84_9_3a_2a_a_12a_3a:Al-H-K-O-Si,42.0,"Invalid WP multiplicities - A3B2CD12E3_mC84_9_4a_3a_a_18a_4a:Al-H-K-O-Si, expected KAl4Si4(HO6)3 to be KAl3Si3(HO6)2" +mp-1200795,KAl3Si3(HO6)2,-7.522186723,-3.0093868586,0.0091433813,0.0091433813,GGA,P2/c,A3B2CD12E3_mP84_13_3g_2g_ef_12g_3g:Al-H-K-O-Si,84.0,"Invalid WP multiplicities - A3B2CD12E3_mP84_13_9g_2g_ef_48g_9g:Al-H-K-O-Si, expected KAl9Si9(HO24)2 to be KAl3Si3(HO6)2" +mp-697305,K2Na5Al7Si5O24,-7.2110068659,-3.0040400196,0.1192261352,0.1192261352,GGA,P1,A7B2C5D24E5_aP86_1_14a_4a_10a_48a_10a:Al-K-Na-O-Si,86.0,A7B2C5D24E5_aP86_1_14a_4a_10a_48a_10a:Al-K-Na-O-Si +mp-1205072,KNa3Al12Si12(HO6)8,-7.5087763566,-2.9884005513,0.0148542975,0.0148542975,GGA,P2/c,A12B8CD3E48F12_mP168_13_6g_4g_e_fg_24g_6g:Al-H-K-Na-O-Si,168.0,"Invalid WP multiplicities - A12B8CD3E48F12_mP168_13_20g_8g_e_2f2g_96g_20g:Al-H-K-Na-O-Si, expected KNa6Al40Si40(HO12)16 to be KNa3Al12Si12(HO6)8" +mp-695648,KNa6Al7Si9O32,-7.312292281599999,-2.9052653262,0.2683494358,0.2683494358,GGA,P1,A7BC6D32E9_aP55_1_7a_a_6a_32a_9a:Al-K-Na-O-Si,55.0,A7BC6D32E9_aP55_1_7a_a_6a_32a_9a:Al-K-Na-O-Si +mp-1212051,K2Al2Si3(HO5)2,-6.9429981237,-2.6145642897,0.2591446214,0.2591446214,GGA,Fdd2,A2B2C2D10E3_oF152_43_b_b_b_5b_ab:Al-H-K-O-Si,38.0,A2B2C2D10E3_oF152_43_b_b_b_5b_ab:Al-H-K-O-Si +mp-600151,KNa2AlH6,-2.9419164325,-0.1561782691,0.1539223702,0.1539223702,GGA,P2_1,AB6CD2_mP20_4_a_6a_a_2a:Al-H-K-Na,20.0,"Invalid WP multiplicities - AB6CD2_mP20_4_a_12a_a_4a:Al-H-K-Na, expected KNa4AlH12 to be KNa2AlH6" +mp-1205325,KNa2AlH6,-3.0794072035,-0.2936690401,0.0164315992,0.0164315992,GGA,P2_1,AB6CD2_mP20_4_a_6a_a_2a:Al-H-K-Na,20.0,AB6CD2_mP20_4_a_6a_a_2a:Al-H-K-Na +mp-1259114,KNa2AlH6,-2.954060205,-0.1683220416,0.1417785977,0.1417785977,GGA,P2_1,AB6CD2_mP20_4_a_6a_a_2a:Al-H-K-Na,20.0,"Invalid WP multiplicities - AB6CD2_mP20_4_a_12a_a_4a:Al-H-K-Na, expected KNa4AlH12 to be KNa2AlH6" +mp-695074,KNa3Al4(SiO4)4,-7.4650843243,-3.1469211226,0.0136187884,0.0136187884,GGA,P1,A4BC3D16E4_aP56_1_8a_2a_6a_32a_8a:Al-K-Na-O-Si,56.0,A4BC3D16E4_aP56_1_8a_2a_6a_32a_8a:Al-K-Na-O-Si +mp-540861,KNa3Al4(SiO4)4,-6.6438355041,-2.3256723024,0.8348676086,0.8348676086,GGA,P6_3,A4BC3D16E4_hP56_173_bc_a_c_b5c_bc:Al-K-Na-O-Si,56.0,A4BC3D16E4_hP56_173_bc_a_c_b5c_bc:Al-K-Na-O-Si +mp-559901,KNa3Al4(SiO4)4,-7.4764848834,-3.1583216817,0.0022182293,0.0022182293,GGA,P6_3,A4BC3D16E4_hP56_173_bc_a_c_b5c_bc:Al-K-Na-O-Si,56.0,"Invalid WP multiplicities - A4BC3D16E4_hP56_173_b2c_a_c_2b24c_b2c:Al-K-Na-O-Si, expected KNa3Al7Si7O74 to be KNa3Al4(SiO4)4" +mp-24412,K2NaAlH6,-3.107022604,-0.3424970753,0.0,-0.0386410627,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-H-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Al-H-K-Na +mp-1221129,NaCaBO3,-7.0551270733,-2.913863227,0.0,-0.0221483319,GGA,Pc,ABCD3_mP48_7_4a_4a_4a_12a:B-Ca-Na-O,48.0,"Invalid WP multiplicities - ABCD3_mP48_7_6a_6a_5a_20a:B-Ca-Na-O, expected Na5Ca6(B3O10)2 to be NaCaBO3" +mp-554315,CaBeB2O5,-7.9901042278,-3.1192998008,0.0042871669,0.0042871669,GGA,P2_1/c,A2BCD5_mP36_14_2e_e_e_5e:B-Be-Ca-O,36.0,"Invalid WP multiplicities - A2BCD5_mP36_14_5e_e_e_19e:B-Be-Ca-O, expected CaBeB5O19 to be CaBeB2O5" +mp-614628,Na3Ca(BO2)5,-7.4885076511,-2.8128749286,0.0015677062,-0.0054336533,GGA,P-1,A5BC3D10_aP38_2_5i_i_3i_10i:B-Ca-Na-O,38.0,"Invalid WP multiplicities - A5BC3D10_aP38_2_9i_i_5i_18i:B-Ca-Na-O, expected Na5Ca(BO2)9 to be Na3Ca(BO2)5" +mp-542719,Na3Ca(BO2)5,-7.4900753572,-2.8144426348,0.0,-0.0070013595,GGA,P-1,A5BC3D10_aP76_2_10i_2i_6i_20i:B-Ca-Na-O,76.0,A5BC3D10_aP76_2_10i_2i_6i_20i:B-Ca-Na-O +mp-1204559,NaCaB5O14,-6.8101373529,-1.7635313536,0.4753187349,0.4753187349,GGA,P2_1/c,A5BCD14_mP84_14_5e_e_e_14e:B-Ca-Na-O,84.0,A5BCD14_mP84_14_5e_e_e_14e:B-Ca-Na-O +mp-554240,NaCa4(BO3)3,-7.4951765747,-3.1479237202,0.0085934003,0.0085934003,GGA,Ama2,A3B4CD9_oC68_40_a2b_abc_b_a2b3c:B-Ca-Na-O,34.0,A3B4CD9_oC68_40_a2b_abc_b_a2b3c:B-Ca-Na-O +mp-1193627,NaCaBe2B2O6F,-7.3809285665,-3.0919019758,0.0036189919,0.0036189919,GGA,Cc,A2B2CDEF6_mC52_9_2a_2a_a_a_a_6a:B-Be-Ca-F-Na-O,26.0,A2B2CDEF6_mC52_9_2a_2a_a_a_a_6a:B-Be-Ca-F-Na-O +mp-2713603,Na2Al2P2SO12,-7.1676738614,-2.7224358792,0.063899257,0.063899257,GGA,Cc,A2B2C12D2E_mC76_9_2a_2a_12a_2a_a:Al-Na-O-P-S,114.0,"Invalid WP multiplicities - A2B2C12D2E_mC76_9_6a_2a_72a_12a_a:Al-Na-O-P-S, expected Na2Al6P12SO72 to be Na2Al2P2SO12" +mp-2715004,Na5Al4P5SO24,-7.2028155287,-2.8049072913,0.0353613299,0.0353613299,GGA,P1,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:Al-Na-O-P-S,117.0,A4B5C24D5E_aP117_1_12a_15a_72a_15a_3a:Al-Na-O-P-S +mp-2713862,Na3La2Al2P3(SO8)3,-7.2795361532,-2.7200624251,0.10419464,0.10419464,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-La-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-La-Na-O-P-S +mp-2713263,Na2LaAlP2SO12,-7.3111872689,-2.803295009,0.1039103003,0.1039103003,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-La-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-La-Na-O-P-S +mp-2715073,Na5La2Al2P5SO24,-7.3170967904,-2.8581407954,0.1008395915,0.1008395915,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-La-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-La-Na-O-P-S +mp-2714395,NaAl2P(SO6)2,-7.1049067044,-2.5571209416,0.022282484,0.022282484,GGA,Cc,A2BC12DE2_mC216_9_6a_3a_36a_3a_6a:Al-Na-O-P-S,108.0,"Invalid WP multiplicities - A2BC12DE2_mC216_9_6a_3a_60a_3a_9a:Al-Na-O-P-S, expected NaAl2PS3O20 to be NaAl2P(SO6)2" +mp-2714474,NaLaAlP(SO6)2,-7.2590117231,-2.6450908895,0.0916096956,0.0916096956,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-La-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-La-Na-O-P-S +mp-2713874,Na3Al4P3(SO8)3,-7.1377167331,-2.6425906414,0.043075014,0.043075014,GGA,P1,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:Al-Na-O-P-S,111.0,A4B3C24D3E3_aP111_1_12a_9a_72a_9a_9a:Al-Na-O-P-S +mp-2714293,NaAl4PS5O24,-7.0457201513,-2.4422655935,0.0189242081,0.0189242081,GGA,P1,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:Al-Na-O-P-S,105.0,A4BC24DE5_aP105_1_12a_3a_72a_3a_15a:Al-Na-O-P-S +mp-2714089,NaLa2Al2PS5O24,-7.206113051,-2.5346338489,0.0854767268,0.0854767268,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-La-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-La-Na-O-P-S +mp-1189227,NaAl(PS3)2,-5.0213897355,-0.9500492017,0.0,-0.0265489248,GGA,Fdd2,ABC2D6_oF80_43_a_a_b_3b:Al-Na-P-S,20.0,ABC2D6_oF80_43_a_a_b_3b:Al-Na-P-S +mp-1182454,Mo2C8Br8N2O3,-5.3817780513,0.6816092002,1.4209655724,1.4209655724,GGA+U,P2_12_12_1,A8B8C2D2E3_oP92_19_8a_8a_2a_2a_3a:Br-C-Mo-N-O,92.0,A8B8C2D2E3_oP92_19_8a_8a_2a_2a_3a:Br-C-Mo-N-O +mp-1181015,Mo3C7Br3NCl3O7,-6.752713464,-0.4899793118,0.7432227358,0.7432227358,GGA+U,P-1,A3B7C3D3EF7_aP48_2_3i_7i_3i_3i_i_7i:Br-C-Cl-Mo-N-O,48.0,A3B7C3D3EF7_aP48_2_3i_7i_3i_3i_i_7i:Br-C-Cl-Mo-N-O +mp-1203110,CuH10C2(NCl2)2,-4.8485992526,-0.6090763792,0.0508738913,0.0508738913,GGA,P2_1/c,A2B4CD10E2_mP38_14_e_2e_a_5e_e:C-Cl-Cu-H-N,38.0,A2B4CD10E2_mP38_14_e_2e_a_5e_e:C-Cl-Cu-H-N +mp-707852,CuH8CN5Cl3,-4.8974196332,-0.0253215706,0.5746474058000001,0.5746474058000001,GGA,P2_1/c,AB3CD8E5_mP72_14_e_3e_e_8e_5e:C-Cl-Cu-H-N,72.0,AB3CD8E5_mP72_14_e_3e_e_8e_5e:C-Cl-Cu-H-N +mp-1196333,CuH28C10(N3Cl2)2,-5.4065952709000005,-0.3291400251,0.1523834471,0.1523834471,GGA,C2/c,A10B4CD28E6_mC196_15_5f_2f_e_14f_3f:C-Cl-Cu-H-N,98.0,A10B4CD28E6_mC196_15_5f_2f_e_14f_3f:C-Cl-Cu-H-N +mp-1213613,CuH2CN2Cl,-5.988959711,-0.4696953163,0.0,-0.0153626555,GGA,Pna2_1,ABCD2E2_oP84_33_3a_3a_3a_6a_6a:C-Cl-Cu-H-N,84.0,ABCD2E2_oP84_33_3a_3a_3a_6a_6a:C-Cl-Cu-H-N +mp-1194211,CuH2CN2Cl,-5.3997079825,0.1195564121,0.5892517285000001,0.5738890729,GGA,Pnma,ABCD2E2_oP28_62_c_c_c_2c_2c:C-Cl-Cu-H-N,28.0,ABCD2E2_oP28_62_c_c_c_2c_2c:C-Cl-Cu-H-N +mp-1199822,CuH20C6(NCl2)2,-4.9788787397,-0.3912164059,0.0851106057,0.0851106057,GGA,P2_1/c,A6B4CD20E2_mP132_14_6e_4e_e_20e_2e:C-Cl-Cu-H-N,132.0,A6B4CD20E2_mP132_14_6e_4e_e_20e_2e:C-Cl-Cu-H-N +mp-691038,Cu4H24C13N7Cl,-5.7724954877,-0.0990484612,0.2143523789,0.2143523789,GGA,Cc,A13BC4D24E7_mC196_9_13a_a_4a_24a_7a:C-Cl-Cu-H-N,98.0,"Invalid WP multiplicities - A13BC4D24E7_mC196_9_26a_a_8a_48a_14a:C-Cl-Cu-H-N, expected Cu8H48C26N14Cl to be Cu4H24C13N7Cl" +mp-570040,CuH5C5NCl,-6.0369994867,-0.0838305681,0.2926550342,0.2926550342,GGA,P2_1/c,A5BCD5E_mP52_14_5e_e_e_5e_e:C-Cl-Cu-H-N,52.0,"Invalid WP multiplicities - A5BCD5E_mP52_14_18e_e_e_18e_e:C-Cl-Cu-H-N, expected CuH18C18NCl to be CuH5C5NCl" +mp-568659,CuH8C2(N6Cl)2,-6.350235804,-0.2129014666,0.1727673135,0.1727673135,GGA,P2_1/c,A2B2CD8E12_mP50_14_e_e_a_4e_6e:C-Cl-Cu-H-N,50.0,"Invalid WP multiplicities - A2B2CD8E12_mP50_14_e_e_a_12e_21e:C-Cl-Cu-H-N, expected CuH24C2(N21Cl)2 to be CuH8C2(N6Cl)2" +mp-1182135,CuH8C2(NCl2)2,-4.4954920191,-0.1563459894,0.5438368276000001,0.5438368276000001,GGA,P2_1/c,A2B4CD8E2_mP34_14_e_2e_a_4e_e:C-Cl-Cu-H-N,34.0,A2B4CD8E2_mP34_14_e_2e_a_4e_e:C-Cl-Cu-H-N +mp-698414,CuH8C2NCl3,-4.7534146478,-0.5147179198,0.0585262923,0.0585262923,GGA,P-1,A2B3CD8E_aP60_2_4i_6i_2i_16i_2i:C-Cl-Cu-H-N,60.0,A2B3CD8E_aP60_2_4i_6i_2i_16i_2i:C-Cl-Cu-H-N +mp-698413,CuH8C2NCl3,-4.7527515307,-0.5140548027,0.0591894095,0.0591894095,GGA,C2/c,A2B3CD8E_mC120_15_2f_3f_f_8f_f:C-Cl-Cu-H-N,60.0,A2B3CD8E_mC120_15_2f_3f_f_8f_f:C-Cl-Cu-H-N +mp-1199443,SnH6C(NCl)3,-5.3417056659,-0.7595850679,0.0,-0.0158439159,GGA,Pbca,AB3C6D3E_oP112_61_c_3c_6c_3c_c:C-Cl-H-N-Sn,112.0,AB3C6D3E_oP112_61_c_3c_6c_3c_c:C-Cl-H-N-Sn +mp-1202197,SnH14C4(NCl2)2,-5.0032464296,-0.5036650318,0.1070271027,0.1070271027,GGA,P2_1/c,A4B4C14D2E_mP50_14_2e_2e_7e_e_a:C-Cl-H-N-Sn,50.0,A4B4C14D2E_mP50_14_2e_2e_7e_e_a:C-Cl-H-N-Sn +mp-1198673,SnH12C2(NCl)6,-5.3630682928,-0.7597421857000001,0.0,-0.0098163227,GGA,C2/c,A2B6C12D6E_mC108_15_f_3f_6f_3f_e:C-Cl-H-N-Sn,54.0,A2B6C12D6E_mC108_15_f_3f_6f_3f_e:C-Cl-H-N-Sn +mp-2647043,SnH6CNCl3,-4.7186842275,-0.762292684,0.0226297878,0.0226297878,GGA,Pm,AB3C6DE_mP12_6_a_a2b_2a2c_a_b:C-Cl-H-N-Sn,12.0,AB3C6DE_mP12_6_a_a2b_2a2c_a_b:C-Cl-H-N-Sn +mp-570348,SnH20C6(NCl3)2,-4.9448918007,-0.5163119287,0.0716026958,0.0716026958,GGA,Pa-3,A6B6C20D2E_cP140_205_d_d_c3d_c_a:C-Cl-H-N-Sn,140.0,"Invalid WP multiplicities - A6B6C20D2E_cP140_205_d_d_8c52d_c_a:C-Cl-H-N-Sn, expected SnH328C6(NCl3)2 to be SnH20C6(NCl3)2" +mp-1204563,SnH10C3NCl3,-4.9464844783,-0.5295437179,0.0643987353,0.0643987353,GGA,Cmc2_1,A3B3C10DE_oC72_36_ab_ab_2a4b_a_a:C-Cl-H-N-Sn,36.0,A3B3C10DE_oC72_36_ab_ab_2a4b_a_a:C-Cl-H-N-Sn +mp-2647030,SnH5CN2Cl3,-5.1099637717,-0.7415914881,0.0674632353,0.0674632353,GGA,Amm2,AB3C5D2E_oC24_38_a_ae_a2c_c_b:C-Cl-H-N-Sn,12.0,AB3C5D2E_oC24_38_a_ae_a2c_c_b:C-Cl-H-N-Sn +mp-983519,SnH22C6(NCl2)2,-4.9445757317000005,-0.4277564663,0.0811318868,0.0811318868,GGA,P-1,A6B4C22D2E_aP35_2_3i_2i_11i_i_a:C-Cl-H-N-Sn,35.0,A6B4C22D2E_aP35_2_3i_2i_11i_i_a:C-Cl-H-N-Sn +mp-1197282,CuSn3H27C9NCl,-4.9203138423,-0.135205593,0.1489933398,0.1489933398,GGA,P2_13,A9BCD27EF3_cP336_198_6b_2a_2a_18b_2a_2b:C-Cl-Cu-H-N-Sn,336.0,A9BCD27EF3_cP336_198_6b_2a_2a_18b_2a_2b:C-Cl-Cu-H-N-Sn +mp-570712,SnH16C4(NCl3)2,-4.8473266512,-0.6069107769000001,0.0587829252,0.0587829252,GGA,Pnnm,A4B6C16D2E_oP58_58_2g_gh_2g3h_g_a:C-Cl-H-N-Sn,58.0,"Invalid WP multiplicities - A4B6C16D2E_oP58_58_5g_4g4h_7g19h_g_a:C-Cl-H-N-Sn, expected SnH90C10(NCl12)2 to be SnH16C4(NCl3)2" +mp-1198081,SnC8(NCl3)2,-4.4564113207,1.7555360679,2.2790046624,2.2790046624,GGA,Fd-3c,A8B6C2D_cF544_228_eh_h_ad_c:C-Cl-N-Sn,136.0,A8B6C2D_cF544_228_eh_h_ad_c:C-Cl-N-Sn +mp-1103294,SnCNCl3,-4.8854517017,-0.3653946596,0.579836729,0.579836729,GGA,P1,AB3CD_aP12_1_2a_6a_2a_2a:C-Cl-N-Sn,12.0,AB3CD_aP12_1_2a_6a_2a_2a:C-Cl-N-Sn +mp-1103126,SnCNCl3,-5.1111214867,-0.5910644446000001,0.354166944,0.354166944,GGA,Pc,AB3CD_mP12_7_a_3a_a_a:C-Cl-N-Sn,12.0,AB3CD_mP12_7_a_3a_a_a:C-Cl-N-Sn +mp-724678,SnCNCl3,-5.09909895,-0.5790419079,0.3661894806,0.3661894806,GGA,Pc,AB3CD_mP12_7_a_3a_a_a:C-Cl-N-Sn,12.0,AB3CD_mP12_7_a_3a_a_a:C-Cl-N-Sn +mp-1100809,Zr(CuCl3)2,-4.6790694059,-1.5860323026,0.0,-0.0205877215,GGA,P1,A6B2C_aP27_1_18a_6a_3a:Cl-Cu-Zr,27.0,A6B2C_aP27_1_18a_6a_3a:Cl-Cu-Zr +mp-1215474,Zr2H(NCl)2,-7.4015032029,-1.5646188493,0.234623365,0.234623365,GGA,R3m,A2BC2D2_hR21_160_2a_a_2a_2a:Cl-H-N-Zr,7.0,A2BC2D2_hR21_160_2a_a_2a_2a:Cl-H-N-Zr +mp-569292,ZrCuH8C2NCl6,-5.0501776195,-0.9620849074,0.0197395631,0.0197395631,GGA,P2_1/c,A2B6CD8EF_mP76_14_2e_6e_e_8e_e_e:C-Cl-Cu-H-N-Zr,76.0,"Invalid WP multiplicities - A2B6CD8EF_mP76_14_4e_22e_e_30e_e_e:C-Cl-Cu-H-N-Zr, expected ZrCuH30C4NCl22 to be ZrCuH8C2NCl6" +mp-731917,ZrC8(NCl3)2,-5.6683915641,0.8105045759,1.5811836583,1.5811836583,GGA,R3m,A8B6C2D_hR51_160_2a2b_2b_2a_a:C-Cl-N-Zr,17.0,"Invalid WP multiplicities - A8B6C2D_hR51_160_2a2b_3b_2a_a:C-Cl-N-Zr, expected ZrC8N2Cl9 to be ZrC8(NCl3)2" +mp-1189427,ZrC8(NCl3)2,-4.8293668624,1.6495292776,2.4202083601,2.4202083601,GGA,Fm-3m,A8B6C2D_cF68_225_f_e_c_a:C-Cl-N-Zr,17.0,A8B6C2D_cF68_225_f_e_c_a:C-Cl-N-Zr +mp-1223622,KAlCo3Si3(HO6)2,-7.3742294355,-2.4377476683,0.0064243398,0.0064243398,GGA+U,P1,AB3C2DE12F3_aP22_1_a_3a_2a_a_12a_3a:Al-Co-H-K-O-Si,22.0,AB3C2DE12F3_aP22_1_a_3a_2a_a_12a_3a:Al-Co-H-K-O-Si +mp-1205501,CrCoCl3,-4.956122966,-0.494727917,0.780623854,0.780623854,GGA,P6_3/mmc,A3BC_hP10_194_h_a_c:Cl-Co-Cr,10.0,A3BC_hP10_194_h_a_c:Cl-Co-Cr +mp-1199663,Cr2CoH20N6ClO8,-5.7693611622,-0.8822572270000001,0.15653745,0.15653745,GGA+U,P2_1/c,ABC2D20E6F8_mP152_14_e_e_2e_20e_6e_8e:Cl-Co-Cr-H-N-O,152.0,ABC2D20E6F8_mP152_14_e_e_2e_20e_6e_8e:Cl-Co-Cr-H-N-O +mp-1197764,CrCoH15N5ClO8,-5.5984433023,-0.7353214663000001,0.3773810814,0.3773810814,GGA+U,Cmc2_1,ABCD15E5F8_oC124_36_a_a_a_a7b_a2b_4a2b:Cl-Co-Cr-H-N-O,62.0,ABCD15E5F8_oC124_36_a_a_a_a7b_a2b_4a2b:Cl-Co-Cr-H-N-O +mp-2715249,Na3YSiGe(PO6)2,-7.2703285192,-2.7368653978,0.1355148859,0.1355148859,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ge-Na-O-P-Si-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Ge-Na-O-P-Si-Y, expected Na14Y3Si3Ge3(P5O36)2 to be Na3YSiGe(PO6)2" +mp-2715295,Na3YSiGe(PO6)2,-7.2785576501,-2.7450945288,0.1272857549,0.1272857549,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ge-Na-O-P-Si-Y,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Ge-Na-O-P-Si-Y, expected Na3YSiGe(PO15)2 to be Na3YSiGe(PO6)2" +mp-2713285,Na2YGe(PO4)3,-7.4286320649,-2.7268046117,0.0941281653,0.0941281653,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Ge-Na-O-P-Y,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Ge-Na-O-P-Y, expected Na2YGe(PO4)18 to be Na2YGe(PO4)3" +mp-2715974,Na5Y2SiGe2P5O24,-7.3716746001,-2.7561878299,0.0972423496,0.0972423496,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ge-Na-O-P-Si-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ge-Na-O-P-Si-Y +mp-2714788,Na7Y2Si3Ge2(PO8)3,-7.2367313758,-2.7812907497,0.0879742796,0.0879742796,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ge-Na-O-P-Si-Y,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ge-Na-O-P-Si-Y +mp-2715522,Na4YSi2GePO12,-7.1115589567,-2.7304254689,0.1310102719,0.1310102719,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ge-Na-O-P-Si-Y,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Ge-Na-O-P-Si-Y, expected Na19YSi12GePO72 to be Na4YSi2GePO12" +mp-2714888,Na3YGe3(PO4)6,-7.3387207886,-2.5953836354,0.0595617207,0.0595617207,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ge-Na-O-P-Y,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ge-Na-O-P-Y +mp-2713532,Na5Y3Ge(PO4)6,-7.5785924967,-2.916146041,0.0622619816,0.0622619816,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-P-Y,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Ge-Na-O-P-Y +mp-2716261,NaGe4P5SO24,-7.1854281673,-2.3357673621,0.0308837996,0.0308837996,GGA,P1,A4BC24D5E_aP105_1_12a_3a_72a_15a_3a:Ge-Na-O-P-S,105.0,A4BC24D5E_aP105_1_12a_3a_72a_15a_3a:Ge-Na-O-P-S +mp-2712572,NaScGeP2SO12,-7.3829259264,-2.5717402781,0.055797842,0.055797842,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ge-Na-O-P-S-Sc,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Ge-Na-O-P-S-Sc, expected NaScGeP7SO60 to be NaScGeP2SO12" +mp-2713503,Ge2P2SO12,-7.1106528092,-2.1948072136,0.0057867203,0.0057867203,GGA,Cc,A2B12C2D_mC68_9_2a_12a_2a_a:Ge-O-P-S,102.0,"Invalid WP multiplicities - A2B12C2D_mC68_9_6a_60a_7a_a:Ge-O-P-S, expected Ge6P7SO60 to be Ge2P2SO12" +mp-2716468,NaSc2Ge2P3(SO8)3,-7.3426320468,-2.4682518924,0.060462442,0.060462442,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ge-Na-O-P-S-Sc,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ge-Na-O-P-S-Sc +mp-2712908,ScGeP(SO6)2,-7.2878780773,-2.3465860928,0.0439975297,0.0439975297,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ge-O-P-S-Sc,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ge-O-P-S-Sc, expected ScGePS3O20 to be ScGeP(SO6)2" +mp-2715886,Na3Sc2Ge2P5SO24,-7.4320572737,-2.6806502123,0.0403698675,0.0403698675,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-S-Sc,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-S-Sc +mp-2715387,Na3YZrSi(PO6)2,-7.8147000646,-3.0850033045,0.0443583668,0.0443583668,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Si-Y-Zr,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Si-Y-Zr, expected Na14Y3Zr3Si3(P5O36)2 to be Na3YZrSi(PO6)2" +mp-2715417,Na3YZrSi(PO6)2,-7.8183343009,-3.0886375408,0.0407241305,0.0407241305,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Si-Y-Zr,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Si-Y-Zr, expected Na3YZrSi(PO15)2 to be Na3YZrSi(PO6)2" +mp-2715911,Na5Y2Zr2SiP5O24,-7.9203736697,-3.103621629,0.029254342,0.029254342,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Y-Zr,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Y-Zr +mp-532768,YZr5Si5PO24,-9.101822276,-3.533339054,0.0138939757,0.0138939757,GGA,C222,A24BC5DE5_oC144_21_12l_k_acij2k_k_bdij2k:O-P-Si-Y-Zr,72.0,"Invalid WP multiplicities - A24BC5DE5_oC144_21_43l_k_ac2i2j4k_k_bd2i2j3k:O-P-Si-Y-Zr, expected YZr8Si9PO86 to be YZr5Si5PO24" +mp-2714763,Na3YZr3(PO4)6,-8.1988528626,-3.1372989979,0.0152159406,0.0152159406,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Y-Zr,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-P-Y-Zr +mp-1216135,Y4ZrSi3,-7.0228467406,-0.686654344,0.0315825806,0.0315825806,GGA,P-31m,A3B4C_hP16_162_k_ck_d:Si-Y-Zr,16.0,A3B4C_hP16_162_k_ck_d:Si-Y-Zr +mp-2716511,Na5Y3Zr(PO4)6,-7.8652567044,-3.1021776135,0.0192753365,0.0192753365,GGA,P1,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Y-Zr,117.0,A5B24C6D3E_aP117_1_15a_72a_18a_9a_3a:Na-O-P-Y-Zr +mp-2715571,Na4YZrSi2PO12,-7.6302826303,-3.0622599628,0.0406308246,0.0406308246,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-P-Si-Y-Zr,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_19a_72a_a_12a_a_a:Na-O-P-Si-Y-Zr, expected Na19YZrSi12PO72 to be Na4YZrSi2PO12" +mp-2714743,Na7Y2Zr2Si3(PO8)3,-7.7266860536,-3.079797975,0.0376453172,0.0376453172,GGA,P1,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Y-Zr,123.0,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Y-Zr +mp-2713324,Na2YZr(PO4)3,-8.0219153828,-3.1135262046,0.0230490292,0.0230490292,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Y-Zr,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Y-Zr, expected Na2YZr(PO4)18 to be Na2YZr(PO4)3" +mp-2712738,Na2Sc3TaP4(SO12)2,-7.9808736696,-2.9212382707,0.0055194581,0.0055194581,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Sc-Ta,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Sc-Ta +mp-2713481,ScTaP2SO12,-8.3193136333,-2.8773391539,0.029627583,0.029627583,GGA,Cc,A12B2CDE_mC68_9_12a_2a_a_a_a:O-P-S-Sc-Ta,102.0,"Invalid WP multiplicities - A12B2CDE_mC68_9_60a_7a_a_a_a:O-P-S-Sc-Ta, expected ScTaP7SO60 to be ScTaP2SO12" +mp-2716568,NaSc3TaP3(SO8)3,-7.9517718572,-2.8218433878,0.0172585998,0.0172585998,GGA,P1,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Sc-Ta,105.0,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Sc-Ta +mp-2716189,NaSc2Ta2P5SO24,-8.3503506679,-2.9895932327,0.0101420219,0.0101420219,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Ta,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Ta +mp-2715859,Na3Sc3TaP5SO24,-7.9897509646,-2.9966090107000003,0.0097019954,0.0097019954,GGA,P1,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Sc-Ta,111.0,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Sc-Ta +mp-2712903,Sc3TaP2(SO6)4,-7.9285253608,-2.7241689344,0.0196010896,0.0196010896,GGA,P1,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Sc-Ta,102.0,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Sc-Ta +mp-2712915,Sc3NbP2(SO6)4,-7.8423511831,-2.6896557153,0.017081131,0.017081131,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Nb-O-P-S-Sc,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Nb-O-P-S-Sc +mp-2716497,NaSc3NbP3(SO8)3,-7.8678674475,-2.7881239093,0.0149454584,0.0149454584,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-P-S-Sc,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-P-S-Sc +mp-557436,NaNb2PS10,-5.9253929005,-1.0466117185,0.0,-0.012067648,GGA,C2/c,AB2CD10_mC112_15_f_2f_f_10f:Na-Nb-P-S,56.0,"Invalid WP multiplicities - AB2CD10_mC112_15_f_7f_f_37f:Na-Nb-P-S, expected NaNb7PS37 to be NaNb2PS10" +mp-2712639,Na2Sc3NbP4(SO12)2,-7.8966546097,-2.885810116,0.0060437242,0.0060437242,GGA,P1,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-P-S-Sc,108.0,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-P-S-Sc +mp-2713415,ScNbP2SO12,-8.1475733882,-2.8089208259,0.0239795557,0.0239795557,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:Nb-O-P-S-Sc,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:Nb-O-P-S-Sc, expected ScNbP7SO60 to be ScNbP2SO12" +mp-2716071,Na3Sc3NbP5SO24,-7.9081452045,-2.9624754827,0.0098749832,0.0098749832,GGA,P1,A3BC24D5EF3_aP111_1_9a_3a_72a_15a_3a_9a:Na-Nb-O-P-S-Sc,111.0,A3BC24D5EF3_aP111_1_9a_3a_72a_15a_3a_9a:Na-Nb-O-P-S-Sc +mp-2716216,NaSc2Nb2P5SO24,-8.1820433271,-2.9216557542,0.0060142604,0.0060142604,GGA,P1,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Sc,105.0,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Sc +mp-771095,Mn3Cr3(SnO8)2,-7.8739838925,-1.8901775852,0.0826151626,0.0826151626,GGA+U,Cm,A3B3C16D2_mC48_8_ab_ab_8a4b_2a:Cr-Mn-O-Sn,24.0,"Invalid WP multiplicities - A3B3C16D2_mC48_8_ab_ab_8a6b_2a:Cr-Mn-O-Sn, expected Mn3Cr3(SnO10)2 to be Mn3Cr3(SnO8)2" +mp-775298,Li4Mn2Cr3Sn3O16,-7.3845545043,-2.1668902398,0.0650542947,0.0650542947,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Mn-O-Sn, expected Li4Mn2Cr3Sn3O20 to be Li4Mn2Cr3Sn3O16" +mp-1176479,Mn3Cr2Sn(PO4)6,-8.0386870769,-2.427518833,0.0862272883,0.0862272883,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cr-Mn-O-P-Sn, expected Mn3Cr2Sn(PO11)6 to be Mn3Cr2Sn(PO4)6" +mp-776096,Li4Mn3Cr3(SnO8)2,-7.6110362957,-2.2093561942,0.0094264674,0.0094264674,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Mn-O-Sn, expected Li4Mn3Cr3(SnO10)2 to be Li4Mn3Cr3(SnO8)2" +mp-1177389,Li4Mn3Cr2Sn(PO4)6,-7.7369078665,-2.4959641603,0.1003188151,0.1003188151,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Mn-O-P-Sn,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Mn-O-P-Sn +mp-775995,Mn3CrSn2(PO4)6,-7.8727013853,-2.4182963529,0.0888818719,0.0888818719,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Mn-O-P-Sn,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_3b_2a:Cr-Mn-O-P-Sn, expected Mn3CrSn2(P3O22)3 to be Mn3CrSn2(PO4)6" +mp-774860,Li4Mn3Cr2Sn3O16,-7.3328579164,-2.1327305154,0.0639982096,0.0639982096,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Mn-O-Sn,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Mn-O-Sn, expected Li4Mn3Cr2Sn3O20 to be Li4Mn3Cr2Sn3O16" +mp-1208112,V3Co10AsO20,-7.600744281,-1.6616916696,0.027901209,0.027901209,GGA+U,C2/m,AB10C20D3_mC136_12_i_ef4i2j_10i5j_3i:As-Co-O-V,68.0,AB10C20D3_mC136_12_i_ef4i2j_10i5j_3i:As-Co-O-V +mp-1211719,KCo3Cu(AsO4)3,-6.4098249885000005,-1.4162160509,0.1781983686,0.1781983686,GGA+U,C2/c,A3B3CDE12_mC80_15_ef_ef_e_e_6f:As-Co-Cu-K-O,40.0,A3B3CDE12_mC80_15_ef_ef_e_e_6f:As-Co-Cu-K-O +mp-1223921,K2VCo6Cu2As5O24,-6.7792360023,-1.675007373,0.0,-0.0181961408,GGA+U,P1,A5B6C2D2E24F_aP40_1_5a_6a_2a_2a_24a_a:As-Co-Cu-K-O-V,40.0,A5B6C2D2E24F_aP40_1_5a_6a_2a_2a_24a_a:As-Co-Cu-K-O-V +mp-1216438,VCo3AsO8,-7.4713488504,-1.7296959619,0.0,-0.0014840546,GGA+U,C2/m,AB3C8D_mC52_12_i_adj_4i2j_i:As-Co-O-V,26.0,"Invalid WP multiplicities - AB3C8D_mC52_12_i_acj_4i4j_i:As-Co-O-V, expected VCo3AsO12 to be VCo3AsO8" +mp-1216818,VCo5AsO10,-7.4414815903,-1.6325697925,0.0003853572,0.0003853572,GGA+U,C2/m,AB5C10D_mC136_12_2i_ef4i2j_10i5j_2i:As-Co-O-V,68.0,AB5C10D_mC136_12_2i_ef4i2j_10i5j_2i:As-Co-O-V +mp-1021731,RbMg6Ni,-1.699954505,0.3453393766,0.4209537468,0.4209537468,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Ni-Rb,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Ni-Rb, expected RbMg12Ni to be RbMg6Ni" +mp-1099319,RbMg6Ni,-1.7987614275,0.2465324541,0.3221468243,0.3221468243,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Ni-Rb,8.0,A6BC_oC16_38_abde_a_b:Mg-Ni-Rb +mp-1028374,RbMg14Ni,-1.6592854219,0.1635015439,0.2119879838,0.2119879838,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Ni-Rb,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Ni-Rb, expected RbMg18Ni to be RbMg14Ni" +mp-1028344,RbMg14Ni,-1.6435466969,0.1792402689,0.2277267088,0.2277267088,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Ni-Rb,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Ni-Rb, expected RbMg26Ni to be RbMg14Ni" +mp-2224771,MgNi4(OF2)4,-5.25039859,-1.7327860397,0.314655355,0.314655355,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O +mp-2224245,MgNi4(OF2)4,-5.2496670382,-1.7320544879000002,0.3153869068,0.3153869068,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O +mp-2240852,MgNi4(OF2)4,-5.28182812,-1.7642155697000002,0.283225825,0.283225825,GGA+U,P1,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O,17.0,A8BC4D4_aP17_1_8a_a_4a_4a:F-Mg-Ni-O +mp-1219590,RbMgNiF6,-5.0415592289,-2.8382453836,0.0204726822,0.0204726822,GGA+U,Imma,A6BCD_oI36_74_2ej_a_c_e:F-Mg-Ni-Rb,18.0,"Invalid WP multiplicities - A6BCD_oI36_74_4e2j_a_c_e:F-Mg-Ni-Rb, expected RbMgNiF12 to be RbMgNiF6" +mp-694996,RbNiW(OF)3,-6.8234349128,-2.3464011329,0.081734234,0.081734234,GGA+U,C2/c,A3BC3DE_mC36_15_ef_a_ef_e_c:F-Ni-O-Rb-W,18.0,A3BC3DE_mC36_15_ef_a_ef_e_c:F-Ni-O-Rb-W +mp-644409,LiAlPHO5,-7.0917517028,-2.7368660578,0.0011274229,0.0011274229,GGA,P-1,ABCD5E_aP18_2_ab_i_i_5i_i:Al-H-Li-O-P,18.0,ABCD5E_aP18_2_ab_i_i_5i_i:Al-H-Li-O-P +mp-1235984,BaLiAl3P2(HO7)2,-7.0141083826,-2.5823551497,0.1149263032,0.1149263032,GGA,P1,A3BC2DE14F2_aP23_1_3a_a_2a_a_14a_2a:Al-Ba-H-Li-O-P,23.0,A3BC2DE14F2_aP23_1_3a_a_2a_a_14a_2a:Al-Ba-H-Li-O-P +mp-1233007,BaLiAl3P2(HO7)2,-7.0260418148,-2.5942885818,0.1029928711,0.1029928711,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P +mp-1235256,BaLiAl3P2(HO7)2,-7.0289660226,-2.5972127897,0.1000686632,0.1000686632,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P +mp-1236170,BaLiAl3P2(HO7)2,-6.8486486704,-2.4168954375,0.2803860154,0.2803860154,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Li-O-P +mp-1214579,Ba2MnP2F,-4.5240101067000005,-0.2343352478,1.4523221976,1.4523221976,GGA+U,P4/mmm,A2BCD2_tP6_123_g_a_b_g:Ba-F-Mn-P,6.0,A2BCD2_tP6_123_g_a_b_g:Ba-F-Mn-P +mp-939242,MnPO4F,-4.5667364207,0.6151995237,2.9758902985,2.9758902985,GGA+U,P-1,ABC4D_aP14_2_i_be_4i_i:F-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_be_8i_i:F-Mn-O-P, expected MnPO8F to be MnPO4F" +mp-25426,MnPO4F,-7.5097016543,-2.3277657098,0.0329250649,0.0329250649,GGA+U,P-1,ABC4D_aP14_2_i_be_4i_i:F-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_be_8i_i:F-Mn-O-P, expected MnPO8F to be MnPO4F" +mp-1400737,MnPO4F,-4.6716870450000005,0.5102488995,2.8709396742,2.8709396742,GGA+U,P-1,ABC4D_aP14_2_i_ab_4i_i:F-Mn-O-P,14.0,"Invalid WP multiplicities - ABC4D_aP14_2_i_ab_8i_i:F-Mn-O-P, expected MnPO8F to be MnPO4F" +mp-861278,MnPO4F,-7.5073796516,-2.3254437071,0.0352470676,0.0352470676,GGA+U,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:F-Mn-O-P,56.0,"Invalid WP multiplicities - ABC4D_mP56_14_3e_3e_29e_5e:F-Mn-O-P, expected Mn3P5O29F3 to be MnPO4F" +mp-1194882,BaMnPClO4F,-7.2979353383,-2.8489283149,0.0,-0.0191803883,GGA+U,P2_1/c,ABCDE4F_mP36_14_e_e_e_e_4e_e:Ba-Cl-F-Mn-O-P,36.0,ABCDE4F_mP36_14_e_e_e_e_4e_e:Ba-Cl-F-Mn-O-P +mp-18822,Mn2PO4F,-8.333234885,-2.6537890221,0.0,-0.0272011475,GGA+U,C2/c,AB2C4D_mC64_15_f_2f_4f_f:F-Mn-O-P,32.0,AB2C4D_mC64_15_f_2f_4f_f:F-Mn-O-P +mp-770557,Mn2P2O7F2,-7.4662585994,-2.2662267139,0.2672751263,0.2672751263,GGA+U,Pbcn,A2B2C7D2_oP52_60_d_ac_c3d_d:F-Mn-O-P,52.0,"Invalid WP multiplicities - A2B2C7D2_oP52_60_d_2a2c_4c9d_d:F-Mn-O-P, expected Mn2PO11F to be Mn2P2O7F2" +mp-1195656,BaMnP(O2F)2,-7.4943434089,-3.0383427957,0.0,-0.0215176756,GGA+U,P2_1/c,AB2CD4E_mP36_14_e_2e_ad_4e_e:Ba-F-Mn-O-P,36.0,AB2CD4E_mP36_14_e_2e_ad_4e_e:Ba-F-Mn-O-P +mp-2714607,NaScInP(SO6)2,-7.1016245362,-2.4653387082,0.0079145523,0.0079145523,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:In-Na-O-P-S-Sc,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:In-Na-O-P-S-Sc +mp-2713231,Na2ScInP2SO12,-7.1652240776,-2.6361439283,0.0194944668,0.0194944668,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-P-S-Sc,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-P-S-Sc +mp-2713877,Na3Sc2In2P3(SO8)3,-7.1297197489,-2.5484854856,0.0202720826,0.0202720826,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:In-Na-O-P-S-Sc,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:In-Na-O-P-S-Sc +mp-2715141,Na5Sc2In2P5SO24,-7.1968111113,-2.717210506,0.0192677242,0.0192677242,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-S-Sc,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-S-Sc +mp-2714295,NaSc2In2PS5O24,-7.0507288657,-2.3562456693,0.0105519637,0.0105519637,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:In-Na-O-P-S-Sc,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:In-Na-O-P-S-Sc +mp-1202864,MgBPO6,-7.2257728987,-2.4065388326,0.2073251278,0.2073251278,GGA,P3_121,ABC6D_hP54_152_c_ab_6c_c:B-Mg-O-P,54.0,ABC6D_hP54_152_c_ab_6c_c:B-Mg-O-P +mp-1233645,Ba2MgFe2B2(P2O9)2,-7.8344599455,-2.7851267482,0.0797565879,0.0797565879,GGA+U,P1,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P,29.0,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P +mp-1233803,Ba2MgFe2B2(P2O9)2,-7.8733341886,-2.8240009914,0.0408823448,0.0408823448,GGA+U,P1,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P,29.0,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P +mp-1234736,Ba2MgFe2B2(P2O9)2,-7.8893012507,-2.8399680534,0.0249152828,0.0249152828,GGA+U,P1,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P,29.0,A2B2C2DE18F4_aP29_1_2a_2a_2a_a_18a_4a:B-Ba-Fe-Mg-O-P +mp-1193185,BaFeBP2O9,-7.9234043621,-2.7508906953,0.0316421448,0.0316421448,GGA+U,P-1,ABCD9E2_aP28_2_i_i_i_9i_2i:B-Ba-Fe-O-P,28.0,ABCD9E2_aP28_2_i_i_i_9i_2i:B-Ba-Fe-O-P +mp-1193704,Mg2B(PO5)2,-7.175931363,-2.4977017632000003,0.16827078,0.16827078,GGA,C2,AB2C10D2_mC60_5_c_2c_10c_2c:B-Mg-O-P,30.0,"Invalid WP multiplicities - AB2C10D2_mC60_5_c_4c_17c_2c:B-Mg-O-P, expected Mg4BP2O17 to be Mg2B(PO5)2" +mp-2716454,NaMg2Ta2P3(SO8)3,-7.6391880751,-2.621804451,0.0372395358,0.0372395358,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Mg-Na-O-P-S-Ta,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Mg-Na-O-P-S-Ta +mp-2716092,Na21Mg10Ta2P15(SO24)3,-6.9414737575,-2.736092771,0.0221145655,0.0221145655,GGA,P1,A10B21C72D15E3F2_aP123_1_10a_21a_72a_15a_3a_2a:Mg-Na-O-P-S-Ta,123.0,A10B21C72D15E3F2_aP123_1_10a_21a_72a_15a_3a_2a:Mg-Na-O-P-S-Ta +mp-2713530,Mg2Ta4P6(SO12)3,-8.1286051921,-2.7638673712,0.0102328966,0.0102328966,GGA,P3c1,A2B36C6D3E4_hP102_158_ab_12d_2d_d_ab2c:Mg-O-P-S-Ta,102.0,A2B36C6D3E4_hP102_158_ab_12d_2d_d_ab2c:Mg-O-P-S-Ta +mp-2712736,Na9Mg5TaP6(SO12)3,-6.9152570005000005,-2.6697259377,0.0277829239,0.0277829239,GGA,Cc,A5B9C36D6E3F_mC240_9_5a_9a_36a_6a_3a_a:Mg-Na-O-P-S-Ta,120.0,"Invalid WP multiplicities - A5B9C36D6E3F_mC240_9_5a_14a_72a_12a_6a_a:Mg-Na-O-P-S-Ta, expected Na14Mg5TaP12(SO12)6 to be Na9Mg5TaP6(SO12)3" +mp-2715143,Na15Mg8Ta4P15(SO24)3,-7.2956118236,-2.7670502447,0.0343322705,0.0343322705,GGA,P1,A8B15C72D15E3F4_aP117_1_8a_15a_72a_15a_3a_4a:Mg-Na-O-P-S-Ta,117.0,A8B15C72D15E3F4_aP117_1_8a_15a_72a_15a_3a_4a:Mg-Na-O-P-S-Ta +mp-2713745,Na9Mg8Ta4P9(SO8)9,-7.2529593528,-2.6201175768,0.0262631271,0.0262631271,GGA,P1,A8B9C72D9E9F4_aP111_1_8a_9a_72a_9a_9a_4a:Mg-Na-O-P-S-Ta,111.0,A8B9C72D9E9F4_aP111_1_8a_9a_72a_9a_9a_4a:Mg-Na-O-P-S-Ta +mp-2716238,Na3Mg4Ta8P15(SO24)3,-8.150730381,-2.8650028426,0.0124816118,0.0124816118,GGA,P1,A4B3C72D15E3F8_aP105_1_4a_3a_72a_15a_3a_8a:Mg-Na-O-P-S-Ta,105.0,A4B3C72D15E3F8_aP105_1_4a_3a_72a_15a_3a_8a:Mg-Na-O-P-S-Ta +mp-2712640,NaMgTaP2SO12,-7.6674150664,-2.717198267,0.0415245378,0.0415245378,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Mg-Na-O-P-S-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_72a_12a_a_a:Mg-Na-O-P-S-Ta, expected NaMgTaP12SO72 to be NaMgTaP2SO12" +mp-2713144,Na6Mg5TaP3(SO6)6,-6.8367996035,-2.5046289023,0.0353224428,0.0353224428,GGA,Cc,A5B6C36D3E6F_mC228_9_5a_6a_36a_3a_6a_a:Mg-Na-O-P-S-Ta,114.0,"Invalid WP multiplicities - A5B6C36D3E6F_mC228_9_5a_7a_60a_4a_9a_a:Mg-Na-O-P-S-Ta, expected Na7Mg5TaP4(S3O20)3 to be Na6Mg5TaP3(SO6)6" +mp-2714828,Na15Mg10Ta2P9(SO8)9,-6.8790823062,-2.5913421889,0.0363454835,0.0363454835,GGA,P1,A10B15C72D9E9F2_aP117_1_10a_15a_72a_9a_9a_2a:Mg-Na-O-P-S-Ta,117.0,A10B15C72D9E9F2_aP117_1_10a_15a_72a_9a_9a_2a:Mg-Na-O-P-S-Ta +mp-2714414,Na3Mg4Ta2P3(SO6)6,-7.22532407,-2.5359971873,0.0115350432,0.0115350432,GGA,P3c1,A4B3C36D3E6F2_hP108_158_ab2c_abc_12d_d_2d_ab:Mg-Na-O-P-S-Ta,108.0,A4B3C36D3E6F2_hP108_158_ab2c_abc_12d_d_2d_ab:Mg-Na-O-P-S-Ta +mp-2713229,Na9Mg10Ta2P3(S5O24)3,-6.8032961314,-2.4242931933,0.0177549434,0.0177549434,GGA,P1,A10B9C72D3E15F2_aP111_1_10a_9a_72a_3a_15a_2a:Mg-Na-O-P-S-Ta,111.0,A10B9C72D3E15F2_aP111_1_10a_9a_72a_3a_15a_2a:Mg-Na-O-P-S-Ta +mp-2715856,Na3Mg2Ta2P5SO24,-7.6877923821,-2.8011117683,0.0423510013,0.0423510013,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Mg-Na-O-P-S-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Mg-Na-O-P-S-Ta +mp-2713587,Na6Mg4Ta2P6(SO12)3,-7.2696109207,-2.6902813511,0.0424547239,0.0424547239,GGA,Cc,A4B6C36D6E3F2_mC228_9_4a_6a_36a_6a_3a_2a:Mg-Na-O-P-S-Ta,114.0,"Invalid WP multiplicities - A4B6C36D6E3F2_mC228_9_4a_7a_60a_9a_4a_2a:Mg-Na-O-P-S-Ta, expected Na7Mg4Ta2P9(SO15)4 to be Na6Mg4Ta2P6(SO12)3" +mp-2714283,Na3Mg8Ta4P3(S5O24)3,-7.1760806804,-2.4270409705,0.009417824,0.009417824,GGA,P1,A8B3C72D3E15F4_aP105_1_8a_3a_72a_3a_15a_4a:Mg-Na-O-P-S-Ta,105.0,A8B3C72D3E15F4_aP105_1_8a_3a_72a_3a_15a_4a:Mg-Na-O-P-S-Ta +mp-2712926,MgTaP(SO6)2,-7.5941742739,-2.5056728354,0.0392956168,0.0392956168,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Mg-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Mg-O-P-S-Ta, expected MgTaPS3O20 to be MgTaP(SO6)2" +mp-1196779,La2H28PtN4(Cl3O13)2,-5.5527998789,-1.3141344618,0.0427594843,0.0427594843,GGA,P2_1/c,A6B28C2D4E26F_mP134_14_3e_14e_e_2e_13e_a:Cl-H-La-N-O-Pt,134.0,A6B28C2D4E26F_mP134_14_3e_14e_e_2e_13e_a:Cl-H-La-N-O-Pt +mp-1104012,H6Pt(NO)4,-5.9883783287,-0.6843633863,0.1814118313,0.1814118313,GGA,C2,A6B4C4D_mC30_5_3c_2ac_2c_a:H-N-O-Pt,15.0,A6B4C4D_mC30_5_3c_2ac_2c_a:H-N-O-Pt +mp-1195303,H6Pt(NO)4,-5.9878690388,-0.6838540965000001,0.1819211212,0.1819211212,GGA,P2_1/c,A6B4C4D_mP60_14_6e_4e_4e_e:H-N-O-Pt,60.0,A6B4C4D_mP60_14_6e_4e_4e_e:H-N-O-Pt +mp-1212058,LaN(ClO)4,-5.174965229,-1.1296248775,0.3315188632,0.3315188632,GGA,P2_12_12,A4BCD4_oP20_18_2c_a_b_2c:Cl-La-N-O,20.0,A4BCD4_oP20_18_2c_a_b_2c:Cl-La-N-O +mp-722189,H8PtN2(ClO)2,-5.0693089773,-0.8375501592,0.0688628107,0.0688628107,GGA,P2_1/m,A2B8C2D2E_mP30_11_2e_2e3f_f_2e_e:Cl-H-N-O-Pt,30.0,A2B8C2D2E_mP30_11_2e_2e3f_f_2e_e:Cl-H-N-O-Pt +mp-23858,H8PtN2(ClO)2,-5.0718712297,-0.8401124115,0.0663005583,0.0663005583,GGA,P2_1/c,A2B8C2D2E_mP30_14_e_4e_e_e_a:Cl-H-N-O-Pt,30.0,A2B8C2D2E_mP30_14_e_4e_e_e_a:Cl-H-N-O-Pt +mp-706295,H6PtN2ClO5,-5.1974021809,-0.5519048705,0.464641641,0.464641641,GGA,P2_12_12_1,AB6C2D5E_oP120_19_2a_12a_4a_10a_2a:Cl-H-N-O-Pt,120.0,AB6C2D5E_oP120_19_2a_12a_4a_10a_2a:Cl-H-N-O-Pt +mp-733598,H9PtN2ClO2,-5.1372263607,-0.8025215835,0.0558657149,0.0558657149,GGA,P2_1/c,AB9C2D2E_mP60_14_e_9e_2e_2e_e:Cl-H-N-O-Pt,60.0,AB9C2D2E_mP60_14_e_9e_2e_2e_e:Cl-H-N-O-Pt +mp-1195149,H8Pt(N4O)2,-6.1604187734,-0.3815620101,0.1431957573,0.1431957573,GGA,P-1,A8B8C2D_aP38_2_8i_8i_2i_i:H-N-O-Pt,38.0,A8B8C2D_aP38_2_8i_8i_2i_i:H-N-O-Pt +mp-722864,H12PtN6(ClO3)2,-5.5836454363,-0.7621631771,0.1793592708,0.1793592708,GGA,P-1,A2B12C6D6E_aP27_2_i_6i_3i_3i_a:Cl-H-N-O-Pt,27.0,A2B12C6D6E_aP27_2_i_6i_3i_3i_a:Cl-H-N-O-Pt +mp-695314,Ca5Si2HO9F,-6.3882010597,-2.4602544556,0.8972406683,0.8972406683,GGA,P2_1,A5BCD9E2_mP36_4_5a_a_a_9a_2a:Ca-F-H-O-Si,36.0,"Invalid WP multiplicities - A5BCD9E2_mP36_4_10a_a_a_18a_4a:Ca-F-H-O-Si, expected Ca10Si4HO18F to be Ca5Si2HO9F" +mp-1251187,Ca5Si2HO9F,-6.4657802872,-2.5378336831,0.8196614408,0.8196614408,GGA,P2_1,A5BCD9E2_mP36_4_5a_a_a_9a_2a:Ca-F-H-O-Si,36.0,"Invalid WP multiplicities - A5BCD9E2_mP36_4_10a_a_a_18a_4a:Ca-F-H-O-Si, expected Ca10Si4HO18F to be Ca5Si2HO9F" +mp-722188,NaCa4Si8H16O28F,-6.751104083,-2.4847273821,0.0161775739,0.0161775739,GGA,Pnnm,A4BC16DE28F8_oP116_58_2g_a_4h_b_7h_2h:Ca-F-H-Na-O-Si,116.0,A4BC16DE28F8_oP116_58_2g_a_4h_b_7h_2h:Ca-F-H-Na-O-Si +mp-703370,Ca13Si10H12(O17F5)2,-6.9756811301,-3.0726317993,0.0159919213,0.0159919213,GGA,R-3,A13B10C12D34E10_hR237_148_a2f_2cf_2f_2c5f_2cf:Ca-F-H-O-Si,79.0,A13B10C12D34E10_hR237_148_a2f_2cf_2f_2c5f_2cf:Ca-F-H-O-Si +mp-1198120,CaSiH4(OF3)2,-5.7335098225,-2.7075045855,0.0,-0.0018868854,GGA,P2_1/c,AB6C4D2E_mP56_14_e_6e_4e_2e_e:Ca-F-H-O-Si,56.0,AB6C4D2E_mP56_14_e_6e_4e_2e_e:Ca-F-H-O-Si +mp-29746,Cd4P2Cl3,-3.0409342631,-0.8116260371,0.0,-0.0002526388,GGA,Pa-3,A4B3C2_cP72_205_cd_d_2c:Cd-Cl-P,72.0,A4B3C2_cP72_205_cd_d_2c:Cd-Cl-P +mp-745173,Na3Cd4P6H10(ClO8)3,-5.5623927124,-1.5957457232,0.4701788498,0.4660772138,GGA,P1,A4B3C10D3E24F6_aP50_1_4a_3a_10a_3a_24a_6a:Cd-Cl-H-Na-O-P,50.0,A4B3C10D3E24F6_aP50_1_4a_3a_10a_3a_24a_6a:Cd-Cl-H-Na-O-P +mp-1173819,Na3Cd4P6H10(ClO8)3,-6.0325715622,-2.065924573,0.0,-0.004101636,GGA,Cm,A4B3C10D3E24F6_mC100_8_2b_3a_5b_3a_12b_3b:Cd-Cl-H-Na-O-P,50.0,"Invalid WP multiplicities - A4B3C10D3E24F6_mC100_8_4b_3a_10b_3a_24b_6b:Cd-Cl-H-Na-O-P, expected Na3Cd8P12H20(ClO16)3 to be Na3Cd4P6H10(ClO8)3" +mp-31276,Cd2PCl2,-3.131304998,-0.9400739287,0.0145670004,0.0145670004,GGA,P2_1/c,A2B2C_mP20_14_2e_2e_e:Cd-Cl-P,20.0,A2B2C_mP20_14_2e_2e_e:Cd-Cl-P +mp-28658,Na2CdCl4,-3.4104740886,-1.8444616619,0.0082889605,0.0082889605,GGA,Pbam,AB4C2_oP14_55_a_gh_h:Cd-Cl-Na,14.0,"Invalid WP multiplicities - AB4C2_oP14_55_a_g2h_h:Cd-Cl-Na, expected Na2CdCl6 to be Na2CdCl4" +mp-23476,Cd7(P2Cl3)2,-3.1652576163,-0.8591012453,0.0,-0.007873554,GGA,Pa-3,A7B6C4_cP68_205_ad_d_2c:Cd-Cl-P,68.0,A7B6C4_cP68_205_ad_d_2c:Cd-Cl-P +mp-28022,Na6CdCl8,-3.5718602033,-1.9954378833,0.0,-0.0085381267,GGA,Fm-3m,AB8C6_cF60_225_a_ce_d:Cd-Cl-Na,15.0,"Invalid WP multiplicities - AB8C6_cF60_225_a_c2e_d:Cd-Cl-Na, expected Na6CdCl14 to be Na6CdCl8" +mp-1194852,NaCdP3(H4O5)2,-5.8624852144,-1.7279626907,0.0221692503,0.0221692503,GGA,Pbca,AB8CD10E3_oP184_61_c_8c_c_10c_3c:Cd-H-Na-O-P,184.0,AB8CD10E3_oP184_61_c_8c_c_10c_3c:Cd-H-Na-O-P +mp-23643,Cd5P3ClO12,-6.0967285195,-2.188959114,0.0099874567,0.0099874567,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Cd-Cl-O-P,42.0,"Invalid WP multiplicities - A5BC12D3_hP42_176_fh_a_4h3i_h:Cd-Cl-O-P, expected Cd5P3ClO30 to be Cd5P3ClO12" +mp-1221592,Na2CdCl4O3,-3.4407847585,-0.8605694464,0.572069157,0.572069157,GGA,C2/m,AB4C2D3_mC40_12_ab_2ij_ei_ij:Cd-Cl-Na-O,20.0,"Invalid WP multiplicities - AB4C2D3_mC40_12_ab_3i2j_ei_2i2j:Cd-Cl-Na-O, expected Na2CdCl7O6 to be Na2CdCl4O3" +mp-29415,Cd3PCl3,-2.9631752586,-1.002092149,0.0005350259,0.0005350259,GGA,P-3m1,A3B3C_hP14_164_adf_i_d:Cd-Cl-P,14.0,A3B3C_hP14_164_adf_i_d:Cd-Cl-P +mp-29246,Cd2P3Cl,-3.7787648217,-0.456394205,0.0088367492,0.0088367492,GGA,Cc,A2BC3_mC24_9_2a_a_3a:Cd-Cl-P,12.0,A2BC3_mC24_15_f_e_ef:Cd-Cl-P +mp-644431,Cd2P3Cl,-3.7786671683,-0.4562965517,0.0089344025,0.0089344025,GGA,C2/c,A2BC3_mC24_15_f_e_ef:Cd-Cl-P,12.0,A2BC3_mC24_15_f_e_ef:Cd-Cl-P +mp-1204656,Si2H5CNCl4,-4.9086326971,-0.8491270554,0.1062376371,0.1062376371,GGA,P2_1/c,AB4C5DE2_mP52_14_e_4e_5e_e_2e:C-Cl-H-N-Si,52.0,AB4C5DE2_mP52_14_e_4e_5e_e_2e:C-Cl-H-N-Si +mp-1188984,Yb5Si3C,-3.772211215,-0.0830266614,0.3242102552,0.3242102552,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:C-Si-Yb,,AB3C5_hP18_193_b_g_dg:C-Si-Yb +mp-1215557,YbSi3C4,-6.5432926612,0.2979853812,0.5288852015000001,0.5288852015000001,GGA,R3m,A4B3C_hR24_160_4a_3a_a:C-Si-Yb,,A4B3C_hR24_160_4a_3a_a:C-Si-Yb +mp-1199110,SiH9C3N2Cl3,-5.2521477478,-0.4819005954,0.2130282375,0.2130282375,GGA,P2_1/c,A3B3C9D2E_mP72_14_3e_3e_9e_2e_e:C-Cl-H-N-Si,72.0,A3B3C9D2E_mP72_14_3e_3e_9e_2e_e:C-Cl-H-N-Si +mp-1200481,YbSi4H36C12N2Cl,-5.2202090844,-0.3158424694,0.0812600564,0.0812600564,GGA,P-1,A12BC36D2E4F_aP224_2_24i_2i_72i_4i_8i_2i:C-Cl-H-N-Si-Yb,,A12BC36D2E4F_aP224_2_24i_2i_72i_4i_8i_2i:C-Cl-H-N-Si-Yb +mp-1199804,Si5H6C4(NCl5)2,-5.22658645,-0.7985877522,0.2621274853,0.2621274853,GGA,Pbcn,A4B10C6D2E5_oP108_60_2d_5d_3d_d_c2d:C-Cl-H-N-Si,108.0,A4B10C6D2E5_oP108_60_2d_5d_3d_d_c2d:C-Cl-H-N-Si +mp-699393,YbSi6H54(C6N)3,-5.2456215429,-0.2648387804,0.0650420922,0.0650420922,GGA,P31c,A18B54C3D6E_hP164_159_6c_18c_c_2c_b:C-H-N-Si-Yb,,"Invalid WP multiplicities - A18B54C3D6E_hP164_159_32c_100c_c_8c_b:C-H-N-Si-Yb, expected YbSi24H300(C32N)3 to be YbSi6H54(C6N)3" +mp-2716128,NaTi2Ge2P5SO24,-7.6623738923,-2.6257151349,0.0172155686,0.0172155686,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Ti,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Ti +mp-2713175,TiGeP2SO12,-7.6107363003,-2.5023928128,0.0090316451,0.0090316451,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Ti,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Ti +mp-1223512,KMg3AlSi3(O5F)2,-7.291228857,-3.3300981538,0.0,-0.0070846416,GGA,P1,AB2CD3E10F3_aP20_1_a_2a_a_3a_10a_3a:Al-F-K-Mg-O-Si,20.0,AB2CD3E10F3_aP20_1_a_2a_a_3a_10a_3a:Al-F-K-Mg-O-Si +mp-684841,KMg3AlSi3(O5F)2,-7.076022645,-3.1148919418,0.215206212,0.2081215704,GGA,P2_1,AB2CD3E10F3_mP40_4_a_2a_a_3a_10a_3a:Al-F-K-Mg-O-Si,40.0,"Invalid WP multiplicities - AB2CD3E10F3_mP40_4_a_3a_a_6a_20a_6a:Al-F-K-Mg-O-Si, expected KMg6AlSi6O20F3 to be KMg3AlSi3(O5F)2" +mp-1249484,KMg3AlSi3(O5F)2,-7.1024962368,-3.1413655335,0.1887326202,0.1816479787,GGA,P2_1,AB2CD3E10F3_mP40_4_a_2a_a_3a_10a_3a:Al-F-K-Mg-O-Si,,"Invalid WP multiplicities - AB2CD3E10F3_mP40_4_a_3a_a_6a_20a_6a:Al-F-K-Mg-O-Si, expected KMg6AlSi6O20F3 to be KMg3AlSi3(O5F)2" +mp-1223563,KMg3AlSi3O11F,-7.2546365855,-3.1417453951,0.0517101366,0.0517101366,GGA,P1,ABCD3E11F3_aP20_1_a_a_a_3a_11a_3a:Al-F-K-Mg-O-Si,20.0,ABCD3E11F3_aP20_1_a_a_a_3a_11a_3a:Al-F-K-Mg-O-Si +mp-1223599,KMg3AlSi3O11F,-7.255705058,-3.1428138676,0.0506416641,0.0506416641,GGA,Cc,ABCD3E11F3_mC80_9_a_a_a_3a_11a_3a:Al-F-K-Mg-O-Si,40.0,ABCD3E11F3_mC80_9_a_a_a_3a_11a_3a:Al-F-K-Mg-O-Si +mp-1223631,KMg3AlSi3O11F,-7.2548079185,-3.1419167281,0.0515388036,0.0515388036,GGA,Cc,ABCD3E11F3_mC80_9_a_a_a_3a_11a_3a:Al-F-K-Mg-O-Si,40.0,"Invalid WP multiplicities - ABCD3E11F3_mC80_9_a_a_a_4a_16a_4a:Al-F-K-Mg-O-Si, expected KMg4AlSi4O16F to be KMg3AlSi3O11F" +mp-1104738,MgAl2(OF4)2,-5.5393475746,-2.9026828921,0.362793941,0.362793941,GGA,Fmmm,A2B8CD2_oF52_69_c_fhm_a_g:Al-F-Mg-O,13.0,A2B8CD2_oF52_69_c_fhm_a_g:Al-F-Mg-O +mp-1189240,MgAlO2F5,-5.2188791056,-2.4636982011,0.5329373342,0.5329373342,GGA,Imma,AB5CD2_oI36_74_c_ej_a_h:Al-F-Mg-O,18.0,AB5CD2_oI36_74_c_ej_a_h:Al-F-Mg-O +mp-1200432,Ca2Al8PbO15,-7.6205299349,-3.3171151603,0.0,-0.0058624561,GGA,Pnma,A8B2C15D_oP104_62_4d_d_c7d_c:Al-Ca-O-Pb,104.0,A8B2C15D_oP104_62_4d_d_c7d_c:Al-Ca-O-Pb +mp-20463,CaPbF6,-5.1807776563,-3.0323875619,0.0,-0.073861855,GGA,Fm-3m,AB6C_cF32_225_a_e_b:Ca-F-Pb,8.0,AB6C_cF32_225_a_e_b:Ca-F-Pb +mp-1195722,AlH2Pb3OF9,-5.4501822244,-2.7114966901,0.0087363277,0.0087363277,GGA,P-1,AB9C2DE3_aP32_2_i_9i_2i_i_3i:Al-F-H-O-Pb,32.0,AB9C2DE3_aP32_2_i_9i_2i_i_3i:Al-F-H-O-Pb +mp-1194400,Ca2AlH2OF7,-5.95136661,-3.4229612897,0.0207885967,0.0207885967,GGA,P-1,AB2C7D2E_aP26_2_be_2i_7i_2i_i:Al-Ca-F-H-O,26.0,AB2C7D2E_aP26_2_be_2i_7i_2i_i:Al-Ca-F-H-O +mp-1228746,Ca43Al16Pb13,-3.1194841774,-0.4190061214,0.0,-0.0057666121,GGA,R-3m,A16B43C13_hR216_166_2c2h_a3cfg4h_b2h:Al-Ca-Pb,72.0,"Invalid WP multiplicities - A16B43C13_hR216_166_4c12h_a5c6f6g24h_b12h:Al-Ca-Pb, expected Ca227Al80Pb73 to be Ca43Al16Pb13" +mp-643387,AlH2PbO2F3,-5.8719271322,-2.5528727639,0.0,-0.014224475,GGA,P-1,AB3C2D2E_aP18_2_i_3i_2i_2i_i:Al-F-H-O-Pb,18.0,AB3C2D2E_aP18_2_i_3i_2i_2i_i:Al-F-H-O-Pb +mp-1227802,Ca2AlPbOF8,-5.9694771992,-3.5304046522,0.0775872625,0.0775872625,GGA,P1,AB2C8DE_aP26_1_2a_4a_16a_2a_2a:Al-Ca-F-O-Pb,26.0,AB2C8DE_aP26_1_2a_4a_16a_2a_2a:Al-Ca-F-O-Pb +mp-1233713,CaAl2H4Pb2(O2F3)2,-5.7469430016,-2.4970178168,0.1589283577,0.1589283577,GGA,P1,A2BC6D4E4F2_aP19_1_2a_a_6a_4a_4a_2a:Al-Ca-F-H-O-Pb,19.0,A2BC6D4E4F2_aP19_1_2a_a_6a_4a_4a_2a:Al-Ca-F-H-O-Pb +mp-1234876,CaAl2H4Pb2(O2F3)2,-5.7309183616,-2.4809931768,0.1749529977,0.1749529977,GGA,P1,A2BC6D4E4F2_aP19_1_2a_a_6a_4a_4a_2a:Al-Ca-F-H-O-Pb,19.0,A2BC6D4E4F2_aP19_1_2a_a_6a_4a_4a_2a:Al-Ca-F-H-O-Pb +mp-1233357,CaAl2H4Pb2(O2F3)2,-5.7172292474,-2.4673040626,0.1886421119,0.1886421119,GGA,P-1,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb,19.0,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb +mp-1233986,CaAl2H4Pb2(O2F3)2,-5.7663052426,-2.5163800579,0.1395661167,0.1395661167,GGA,P-1,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb,19.0,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb +mp-1234096,CaAl2H4Pb2(O2F3)2,-5.7655449826,-2.5156197979,0.1403263767,0.1403263767,GGA,P-1,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb,19.0,A2BC6D4E4F2_aP19_2_i_a_3i_2i_2i_i:Al-Ca-F-H-O-Pb +mp-1193801,Ca2AlPbF9,-5.9735731542,-3.7679782798,0.0,-0.0010697808,GGA,P-1,AB2C9D_aP26_2_i_2i_9i_i:Al-Ca-F-Pb,26.0,AB2C9D_aP26_2_i_2i_9i_i:Al-Ca-F-Pb +mp-729173,NaMo4C4NO14,-7.1914344221,-0.5576875643,1.2250942907,1.2250942907,GGA+U,C2/m,A4B4CDE14_mC96_12_2j_2ij_g_h_6i4j:C-Mo-N-Na-O,48.0,A4B4CDE14_mC96_12_2j_2ij_g_h_6i4j:C-Mo-N-Na-O +mp-541100,Cs2NaMoC4N7O,-7.4618188544,-0.3258316479,0.2724525187,0.2724525187,GGA+U,Pnma,A4B2CD7EF_oP64_62_2d_2c_c_3c2d_c_c:C-Cs-Mo-N-Na-O,64.0,A4B2CD7EF_oP64_62_2d_2c_c_3c2d_c_c:C-Cs-Mo-N-Na-O +mp-1225916,CsCNO,-7.09390405,-1.2420911748,0.0,-0.0684922085,GGA,Ima2,ABCD_oI16_46_b_a_b_b:C-Cs-N-O,8.0,ABCD_oI16_46_b_a_b_b:C-Cs-N-O +mp-1205218,NaMoC2NO9,-6.7406124636,-0.7775981982,0.9357876618,0.9357876618,GGA+U,P2_1/c,A2BCDE9_mP56_14_2e_e_e_e_9e:C-Mo-N-Na-O,56.0,A2BCDE9_mP56_14_2e_e_e_e_9e:C-Mo-N-Na-O +mp-556325,TeAs(ClF2)3,-4.2586908477,-2.0026082947,0.0,-0.0065120559,GGA,P2_1/c,AB3C6D_mP44_14_e_3e_6e_e:As-Cl-F-Te,44.0,"Invalid WP multiplicities - AB3C6D_mP44_14_e_10e_17e_e:As-Cl-F-Te, expected TeAsCl10F17 to be TeAs(ClF2)3" +mp-695699,Te2AsS4N4(ClF2)3,-4.7653936783,-0.872794021,0.3917528446,0.3917528446,GGA,P1,AB3C6D4E4F2_aP40_1_2a_6a_12a_8a_8a_4a:As-Cl-F-N-S-Te,40.0,AB3C6D4E4F2_aP40_1_2a_6a_12a_8a_8a_4a:As-Cl-F-N-S-Te +mp-1224700,Hg3Sb3H6C2Se8N,-4.080241863,-0.236088871,0.1698119017,0.1698119017,GGA,Aem2,A2B6C3DE3F8_oC92_39_2c_2c2d_ad_c_cd_bc3d:C-H-Hg-N-Sb-Se,46.0,A2B6C3DE3F8_oC92_39_2c_2c2d_ad_c_cd_bc3d:C-H-Hg-N-Sb-Se +mp-1204212,K4Mo6PtO26,-7.1265481796,-1.6076147671,0.1733707954,0.1733707954,GGA+U,P-1,A4B6C26D_aP74_2_4i_6i_26i_i:K-Mo-O-Pt,74.0,A4B6C26D_aP74_2_4i_6i_26i_i:K-Mo-O-Pt +mp-632760,Na2H6PtO6,-5.2992223707,-1.382377541,0.0,-0.0113060512,GGA,P-3,A6B2C6D_hP15_147_g_d_g_a:H-Na-O-Pt,15.0,A6B2C6D_hP15_147_g_d_g_a:H-Na-O-Pt +mp-1226142,K7Mo12H29Pt2O59,-6.5931579594,-1.636217135,0.0457728704,0.0457728704,GGA+U,P1,A29B7C12D59E2_aP109_1_29a_7a_12a_59a_2a:H-K-Mo-O-Pt,109.0,A29B7C12D59E2_aP109_1_29a_7a_12a_59a_2a:H-K-Mo-O-Pt +mp-1225875,K7Mo12H31Pt2O59,-6.5945631691,-1.6658063948,0.020527593,0.020527593,GGA+U,P1,A31B7C12D59E2_aP111_1_31a_7a_12a_59a_2a:H-K-Mo-O-Pt,111.0,A31B7C12D59E2_aP111_1_31a_7a_12a_59a_2a:H-K-Mo-O-Pt +mp-2715689,Na8Y2Si5Sn2SO24,-7.0523533779,-2.7305472501,0.0678364306,0.0678364306,GGA,P1,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Y,126.0,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Sn-Y +mp-2714584,Na3YSi2SnSO12,-7.0833675629,-2.6438190974,0.1137505322,0.1137505322,GGA,Cc,A3B12CD2EF_mC80_9_3a_12a_a_2a_a_a:Na-O-S-Si-Sn-Y,120.0,"Invalid WP multiplicities - A3B12CD2EF_mC80_9_13a_72a_a_7a_a_a:Na-O-S-Si-Sn-Y, expected Na13YSi7SnSO72 to be Na3YSi2SnSO12" +mp-2715838,Na6Y4Si5Sn4S7O48,-7.147505418,-2.507476756,0.1249203903,0.1249203903,GGA,P1,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Y,222.0,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Sn-Y +mp-2713646,Na4Y2Si3Sn2(SO8)3,-7.1102737432,-2.5405890097,0.1427225073,0.1427225073,GGA,P1,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Y,114.0,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Sn-Y +mp-2716366,Na2Y4Si3Sn4(S3O16)3,-7.1755623193,-2.3827868409,0.1085700605,0.1085700605,GGA,P1,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Sn-Y,210.0,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Sn-Y +mp-2712902,Y2SiSn2S5O24,-7.2065342864,-2.3306465696,0.0573463189,0.0573463189,GGA,P1,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Sn-Y,102.0,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Sn-Y +mp-2714769,Na14Y4Si9Sn4(SO16)3,-7.0664240912,-2.6871826766,0.0933494162,0.0933494162,GGA,P1,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Y,246.0,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Sn-Y +mp-2714731,Na3YSi3Sn3(SO8)3,-6.9982259723,-2.4071828556,0.1375342087,0.1375342087,GGA,P1,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Y,111.0,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-S-Si-Sn-Y +mp-2715968,Na10Y4Si7Sn4S5O48,-7.1000743689,-2.5971261831,0.1344887113,0.1344887113,GGA,P1,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Y,234.0,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Sn-Y +mp-2712545,NaYSiSn(SO6)2,-7.1664527191,-2.4521721324,0.126482067,0.126482067,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Si-Sn-Y,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Si-Sn-Y, expected NaYSiSnS3O20 to be NaYSiSn(SO6)2" +mp-2716447,Na5Y3Si3Sn(SO8)3,-7.2441033069,-2.6946816551,0.1201169068,0.1201169068,GGA,P1,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-S-Si-Sn-Y,117.0,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-S-Si-Sn-Y +mp-1198461,Na5FeP2(O4F)2,-6.4531538292,-2.6028360339,0.0,-0.0153051409,GGA+U,Pbca,A2BC5D8E2_oP288_61_4c_abc_10c_16c_4c:F-Fe-Na-O-P,288.0,A2BC5D8E2_oP288_61_4c_abc_10c_16c_4c:F-Fe-Na-O-P +mp-1233554,CaFe8(OF)8,-7.09438773,-2.1091432904,0.2144006221,0.2144006221,GGA+U,P1,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-Fe-O,25.0,AB8C8D8_aP25_1_a_8a_8a_8a:Ca-F-Fe-O +mp-1221829,Na22CaFe6P12(O8F)6,-6.7546391908,-2.5884197633,0.0,-0.0001278661,GGA+U,P3,AB6C6D22E48F12_hP95_143_a_2d_2d_a2bc6d_16d_4d:Ca-F-Fe-Na-O-P,95.0,AB6C6D22E48F12_hP95_143_a_2d_2d_a2bc6d_16d_4d:Ca-F-Fe-Na-O-P +mp-39260,Na2CaPO4F,-6.5348131882,-3.0056813231,0.0266632104,0.0130594101,GGA,Cm,ABC2D4E_mC90_8_5a_5a_5b_10a5b_5a:Ca-F-Na-O-P,45.0,"Invalid WP multiplicities - ABC2D4E_mC90_8_5a_5a_5b_10a8b_5a:Ca-F-Na-O-P, expected Na10Ca5P5O26F5 to be Na2CaPO4F" +mp-559376,Na2CaPO4F,-6.5614763986,-3.0323445335,0.0,-0.0136038003,GGA,P2_1/c,ABC2D4E_mP72_14_2e_2e_4e_8e_2e:Ca-F-Na-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_mP72_14_5e_6e_12e_29e_5e:Ca-F-Na-O-P, expected Na12Ca5P5O29F6 to be Na2CaPO4F" +mp-1173838,Na2Ca2P2O7F2,-6.6826599192,-2.9538176342,0.2038920482,0.2038920482,GGA,P1,A2B2C2D7E2_aP60_1_8a_8a_8a_28a_8a:Ca-F-Na-O-P,60.0,A2B2C2D7E2_aP60_1_8a_8a_8a_28a_8a:Ca-F-Na-O-P +mp-556228,Na5Ca4P4O16F,-6.946343981,-3.034786169,9.731e-06,9.731e-06,GGA,I-4,A4BC5D16E4_tI60_82_g_a_bg_4g_g:Ca-F-Na-O-P,30.0,"Invalid WP multiplicities - A4BC5D16E4_tI60_82_g_a_b2g_15g_g:Ca-F-Na-O-P, expected Na9Ca4P4O60F to be Na5Ca4P4O16F" +mp-1194940,Na2FePO4F,-6.7899695188,-2.542568617,0.0,-0.011211064,GGA+U,Pbcn,ABC2D4E_oP72_60_2c_d_2d_4d_d:F-Fe-Na-O-P,72.0,ABC2D4E_oP72_60_2c_d_2d_4d_d:F-Fe-Na-O-P +mp-1199438,NaFeP2(O3F)2,-7.1220816754,-2.6118948655,0.0,-0.0073073948,GGA+U,P2_1/c,A2BCD6E2_mP48_14_2e_e_e_6e_2e:F-Fe-Na-O-P,48.0,A2BCD6E2_mP48_14_2e_e_e_6e_2e:F-Fe-Na-O-P +mp-1221052,Na7Fe7P6(O8F)3,-7.2429582862,-2.4454560194,0.0102200381,0.0102200381,GGA+U,P6_3,A3B7C7D24E6_hP94_173_c_a2c_b2c_8c_2c:F-Fe-Na-O-P,94.0,A3B7C7D24E6_hP94_173_c_a2c_b2c_8c_2c:F-Fe-Na-O-P +mp-1196373,Na2Fe2P2O8F,-7.1942240087,-2.4011115635,0.0714964736,0.0714964736,GGA+U,Pbcn,AB2C2D8E2_oP60_60_c_d_d_4d_d:F-Fe-Na-O-P,60.0,AB2C2D8E2_oP60_60_c_d_d_4d_d:F-Fe-Na-O-P +mp-1233028,CaFe8(O7F)2,-7.3070266212,-1.5933318431,0.2798656717,0.2798656717,GGA+U,P1,AB2C8D14_aP25_1_a_2a_8a_14a:Ca-F-Fe-O,25.0,AB2C8D14_aP25_1_a_2a_8a_14a:Ca-F-Fe-O +mp-1221362,Na3Fe2P2O10F,-6.8291493113,-2.2117832338,0.0994216598,0.0994216598,GGA+U,Pnnm,AB2C3D10E2_oP72_58_g_h_3g_5h_ef:F-Fe-Na-O-P,72.0,AB2C3D10E2_oP72_58_g_h_3g_5h_ef:F-Fe-Na-O-P +mp-1221001,Na8Fe6P6(O8F3)3,-6.8793203996,-2.5433961652,0.003517821,0.003517821,GGA+U,C2/m,A9B6C8D24E6_mC106_12_a4i_3i_2ij_6j_hj:F-Fe-Na-O-P,53.0,"Invalid WP multiplicities - A9B6C8D24E6_mC106_12_a8i_6i_3ij_23j_2h3j:F-Fe-Na-O-P, expected Na10Fe12P16O92F17 to be Na8Fe6P6(O8F3)3" +mp-1233171,CaFe6(OF2)4,-6.8462891889,-2.2197463613,0.2815033879,0.2815033879,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O +mp-1233207,CaFe6(OF2)4,-6.9609359168000005,-2.3343930892,0.16685666,0.16685666,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O +mp-1233495,CaFe6(OF2)4,-6.9369967474,-2.3104539197,0.1907958295,0.1907958295,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O +mp-1233658,CaFe6(OF2)4,-6.9302248011,-2.3036819734,0.1975677758,0.1975677758,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O +mp-1234276,CaFe6(OF2)4,-6.9455841347,-2.3190413071,0.1822084421,0.1822084421,GGA+U,P1,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O,19.0,AB8C6D4_aP19_1_a_8a_6a_4a:Ca-F-Fe-O +mp-1199719,Na3Fe2P2O8F3,-6.8522917648,-2.5721712144,0.0026566617,-0.0037513535,GGA+U,Pbam,A3B2C3D8E2_oP144_55_gh2i_2i_3g3h_8i_efi:F-Fe-Na-O-P,144.0,A3B2C3D8E2_oP144_55_gh2i_2i_3g3h_8i_efi:F-Fe-Na-O-P +mp-556871,Na3Fe2P2O8F3,-6.8549484265,-2.5748278761,0.0,-0.0064080152,GGA+U,P4_2/mbc,A3B2C3D8E2_tP144_135_hi_i_3h_4i_bdg:F-Fe-Na-O-P,144.0,"Invalid WP multiplicities - A3B2C3D8E2_tP144_135_6h7i_i_11h_53i_3b4d6g:F-Fe-Na-O-P, expected Na22Fe4P19(O53F10)4 to be Na3Fe2P2O8F3" +mp-2712829,TiAlP(SO6)2,-7.5412224502,-2.5596027665000003,0.0133852328,0.0133852328,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Al-O-P-S-Ti,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Al-O-P-S-Ti, expected TiAlPS3O20 to be TiAlP(SO6)2" +mp-2715959,Na3Ti2Al2P5SO24,-7.656346183,-2.8678812358,0.0332948612,0.0332948612,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Ti +mp-2712660,NaTiAlP2SO12,-7.6303856603,-2.7811127405,0.0197875279,0.0197875279,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Al-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Al-Na-O-P-S-Ti, expected NaTiAlP7SO60 to be NaTiAlP2SO12" +mp-2716556,NaTi2Al2P3(SO8)3,-7.5893722068,-2.6758165731,0.0155683482,0.0155683482,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Ti,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Ti +mp-1191142,CuBH4ClO4,-5.69688743,-1.5164516004,0.0501017474,0.0501017474,GGA,P4/n,ABCD4E4_tP22_85_a_c_c_g_g:B-Cl-Cu-H-O,22.0,ABCD4E4_tP22_85_a_c_c_g_g:B-Cl-Cu-H-O +mp-722280,LiCuH4Cl3O2,-4.50918664,-1.3257301746,0.01214275,0.01214275,GGA,P2_1/c,A3BC4DE2_mP44_14_3e_e_4e_e_2e:Cl-Cu-H-Li-O,44.0,A3BC4DE2_mP44_14_3e_e_4e_e_2e:Cl-Cu-H-Li-O +mp-781825,Li9Cu2(HO2)4,-5.0896838428,-1.6756345815,0.0737049793,0.0737049793,GGA,Pmn2_1,A2B4C9D8_oP46_31_2a_2b_5a2b_4a2b:Cu-H-Li-O,46.0,"Invalid WP multiplicities - A2B4C9D8_oP46_31_2a_2b_10a2b_6a4b:Cu-H-Li-O, expected Li7CuH2O7 to be Li9Cu2(HO2)4" +mp-769242,Li2Cu(HO)4,-5.1686475293,-1.4164010358,0.0790912743,0.0790912743,GGA,Pna2_1,AB4C2D4_oP44_33_a_4a_2a_4a:Cu-H-Li-O,44.0,"Invalid WP multiplicities - AB4C2D4_oP44_33_a_12a_5a_13a:Cu-H-Li-O, expected Li5CuH12O13 to be Li2Cu(HO)4" +mp-1104904,CuBClO4,-5.5914830857,-0.9609273792,0.4605807365,0.4605807365,GGA,P4/n,ABCD4_tP14_85_a_c_c_g:B-Cl-Cu-O,14.0,ABCD4_tP14_85_a_c_c_g:B-Cl-Cu-O +mp-1236222,LiCu2B2H8(ClO4)2,-5.6331151187,-1.5514407222000002,0.0740710471,0.0740710471,GGA,P-4,A2B2C2D8EF8_tP23_81_ac_g_g_2h_b_2h:B-Cl-Cu-H-Li-O,23.0,"Invalid WP multiplicities - A2B2C2D8EF8_tP23_81_ac_g_g_4h_b_4h:B-Cl-Cu-H-Li-O, expected LiCu2B2H16(ClO8)2 to be LiCu2B2H8(ClO4)2" +mp-1213325,Cu3B7ClO13,-7.5180541189,-2.3010186059,0.0116948468,0.0116948468,GGA,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Cu-O,96.0,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Cu-O +mp-769763,Li5Cu(HO2)2,-5.0761226969,-1.7247870353,0.0391362808,0.0391362808,GGA,Pnma,AB2C5D4_oP48_62_c_d_3cd_2cd:Cu-H-Li-O,48.0,"Invalid WP multiplicities - AB2C5D4_oP48_62_c_d_11c2d_6c3d:Cu-H-Li-O, expected Li15Cu(HO6)2 to be Li5Cu(HO2)2" +mp-758945,Li5CuHO4,-5.0795681927,-1.7319952933,0.0783088242,0.0783088242,GGA,Pnma,ABC5D4_oP88_62_2c_d_2c4d_2c3d:Cu-H-Li-O,88.0,"Invalid WP multiplicities - ABC5D4_oP88_62_5c_d_8c13d_7c10d:Cu-H-Li-O, expected Li34Cu5H2O27 to be Li5CuHO4" +mp-759472,LiCu(HO)4,-5.204963201,-1.2683843448,0.0813350905,0.0813350905,GGA,Pna2_1,AB4CD4_oP40_33_a_4a_a_4a:Cu-H-Li-O,40.0,"Invalid WP multiplicities - AB4CD4_oP40_33_a_13a_a_13a:Cu-H-Li-O, expected LiCu(HO)13 to be LiCu(HO)4" +mp-1178316,Li19Cu4(HO2)8,-5.083246686,-1.7012213905,0.0555651943,0.0555651943,GGA,P1,A4B8C19D16_aP47_1_4a_8a_19a_16a:Cu-H-Li-O,47.0,A4B8C19D16_aP47_1_4a_8a_19a_16a:Cu-H-Li-O +mp-2714649,Na7Y2Si3Sn2(PO8)3,-7.2386602484,-2.8131443052,0.0490658825,0.0490658825,GGA,P1,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Y,123.0,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Sn-Y +mp-2715369,Na3YSiSn(PO6)2,-7.306036658,-2.8032463366,0.0646872874,0.0646872874,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Si-Sn-Y,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Si-Sn-Y, expected Na14Y3Si3Sn3(P5O36)2 to be Na3YSiSn(PO6)2" +mp-2715440,Na3YSiSn(PO6)2,-7.3008535748,-2.7980632534,0.0698703706,0.0698703706,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Si-Sn-Y,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Si-Sn-Y, expected Na3YSiSn(PO15)2 to be Na3YSiSn(PO6)2" +mp-2713595,Na2YSn(PO4)3,-7.4738212502,-2.8042809549000003,0.0366448389,0.0366448389,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Sn-Y,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Sn-Y, expected Na2YSn(PO4)18 to be Na2YSn(PO4)3" +mp-2716547,Na5Y3Sn(PO4)6,-7.5928966553,-2.9461798406,0.0375765869,0.0375765869,GGA,P1,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-P-Sn-Y,117.0,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-P-Sn-Y +mp-2714678,Na3YSn3(PO4)6,-7.3611810889,-2.6675836114,0.022790974,0.022790974,GGA,P1,A3B24C6D3E_aP111_1_9a_72a_18a_9a_3a:Na-O-P-Sn-Y,111.0,A3B24C6D3E_aP111_1_9a_72a_18a_9a_3a:Na-O-P-Sn-Y +mp-2715916,Na5Y2SiSn2P5O24,-7.3942827587,-2.8102552706,0.0508585127,0.0508585127,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Y,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Sn-Y +mp-2715684,Na4YSi2SnPO12,-7.1473583905,-2.7954370932,0.0591117786,0.0591117786,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-P-Si-Sn-Y,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_19a_72a_a_12a_a_a:Na-O-P-Si-Sn-Y, expected Na19YSi12SnPO72 to be Na4YSi2SnPO12" +mp-573080,As3H9RhC3(ClO)3,-5.2353694505,-0.6922844468,0.1661991291,0.1661991291,GGA,P2_1/c,A3B3C3D9E3F_mP88_14_3e_3e_3e_9e_3e_e:As-C-Cl-H-O-Rh,88.0,"Invalid WP multiplicities - A3B3C3D9E3F_mP88_14_7e_12e_7e_33e_9e_e:As-C-Cl-H-O-Rh, expected As7H33RhC12Cl7O9 to be As3H9RhC3(ClO)3" +mp-1228749,AsRhO4,-6.6586637583,-1.356966905,0.0479139512,0.0479139512,GGA,Cmmm,AB4C_oC12_65_a_gj_c:As-O-Rh,6.0,AB4C_oC12_65_a_gj_c:As-O-Rh +mp-760507,AsRhO4,-6.6891776333,-1.38748078,0.0174000762,0.0174000762,GGA,I4_1md,AB4C_tI24_109_a_2b_a:As-O-Rh,12.0,"Invalid WP multiplicities - AB4C_tI24_109_a_7b_a:As-O-Rh, expected AsRhO14 to be AsRhO4" +mp-2712584,NaZrGaP2SO12,-7.508342607,-2.6626958648,0.0369690448,0.0369690448,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ga-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Ga-Na-O-P-S-Zr, expected NaZrGaP7SO60 to be NaZrGaP2SO12" +mp-2716331,NaZr2Ga2P3(SO8)3,-7.4676672129,-2.5578413617,0.0317334959,0.0317334959,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Zr,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Zr +mp-2716031,Na3Zr2Ga2P5SO24,-7.5380578702,-2.7531210957,0.0481253428,0.0481253428,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Zr +mp-2712821,ZrGaP(SO6)2,-7.416401169,-2.4386209674,0.0227687026,0.0227687026,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ga-O-P-S-Zr,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ga-O-P-S-Zr, expected ZrGaPS3O20 to be ZrGaP(SO6)2" +mp-2712923,HfInP(SO6)2,-7.5091068743,-2.4646751369,0.0278000498,0.0278000498,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Hf-In-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Hf-In-O-P-S, expected HfInPS3O20 to be HfInP(SO6)2" +mp-2716289,NaHf2In2P3(SO8)3,-7.5610832882,-2.5865102309,0.0223548117,0.0223548117,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Hf-In-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Hf-In-Na-O-P-S +mp-2716116,Na3Hf2In2P5SO24,-7.62894493,-2.7827607984,0.0201764161,0.0201764161,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Hf-In-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Hf-In-Na-O-P-S +mp-2712685,NaHfInP2SO12,-7.5934748639,-2.6848794490000003,0.0237171264,0.0237171264,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Hf-In-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Hf-In-Na-O-P-S, expected NaHfInP7SO60 to be NaHfInP2SO12" +mp-1196506,Zr5Si6H36C12(Br10O3)2,-5.3844723728,-1.0443166819,0.0,-0.0025161335,GGA,P2_1/c,A20B12C36D6E6F5_mP170_14_10e_6e_18e_3e_3e_a2e:Br-C-H-O-Si-Zr,170.0,A20B12C36D6E6F5_mP170_14_10e_6e_18e_3e_3e_a2e:Br-C-H-O-Si-Zr +mp-642803,Zr2HBr2,-5.924942856,-1.206106063,0.0236932625,0.0236932625,GGA,C2/m,A2BC2_mC20_12_2i_i_2i:Br-H-Zr,10.0,A2BC2_mC20_12_2i_i_2i:Br-H-Zr +mp-1206023,ZrHBr,-5.5954542583,-1.0976359233,0.0767462625,0.0767462625,GGA,P-3m1,ABC_hP6_164_d_d_d:Br-H-Zr,6.0,ABC_hP6_164_d_d_d:Br-H-Zr +mp-2716240,NaLa2Nb2P5SO24,-8.08470459,-2.9041148456,0.0561692099,0.0561692099,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:La-Na-Nb-O-P-S,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:La-Na-Nb-O-P-S +mp-2713076,La3NbP2(SO6)4,-7.7596568375,-2.730178605,0.0288035752,0.0288035752,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:La-Nb-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:La-Nb-O-P-S +mp-2716012,Na3La3NbP5SO24,-7.7878809923,-2.9554379192,0.0811981559,0.0811981559,GGA,P1,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:La-Na-Nb-O-P-S,111.0,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:La-Na-Nb-O-P-S +mp-2713436,LaNbP2SO12,-8.0694309151,-2.8129231763,0.0477389582,0.0477389582,GGA,Cc,ABC12D2E_mC68_9_a_a_12a_2a_a:La-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12D2E_mC68_9_a_a_60a_7a_a:La-Nb-O-P-S, expected LaNbP7SO60 to be LaNbP2SO12" +mp-2714176,Na2La3NbP4(SO12)2,-7.7809161416,-2.8864434812,0.0685355309,0.0685355309,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:La-Na-Nb-O-P-S,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:La-Na-Nb-O-P-S +mp-2716348,NaLa3NbP3(SO8)3,-7.7699728358,-2.8099260404,0.0525996769,0.0525996769,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:La-Na-Nb-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:La-Na-Nb-O-P-S +mp-1211357,Na2Co3H10(SO6)3,-6.0471840399,-1.6208781836,0.0082402813,0.0082402813,GGA+U,Cmc2_1,A3B10C2D18E3_oC144_36_ab_2a4b_b_4a7b_ab:Co-H-Na-O-S,72.0,A3B10C2D18E3_oC144_36_ab_2a4b_b_4a7b_ab:Co-H-Na-O-S +mp-1198333,Na5Cu2H14S4O19,-5.4676766682,-1.5394473632,0.0853277459,0.0853277459,GGA,P2_1/c,A2B14C5D19E4_mP176_14_2e_14e_5e_19e_4e:Cu-H-Na-O-S,176.0,A2B14C5D19E4_mP176_14_2e_14e_5e_19e_4e:Cu-H-Na-O-S +mp-684766,NaCo2H3(SO5)2,-5.4500521267,-0.8135451342000001,0.8986593117,0.8966773525,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-S,18.0,"Invalid WP multiplicities - A2B3CD10E2_mC36_8_b_3a_a_6a4b_2a:Co-H-Na-O-S, expected NaCo2H3(SO7)2 to be NaCo2H3(SO5)2" +mp-1173715,NaCo2H3(SO5)2,-6.3487114383,-1.7122044459,0.0,-0.0019819592,GGA+U,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-S,18.0,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Co-H-Na-O-S +mp-1229150,Co3CuH56(SO11)4,-5.53142802,-1.368308378,0.0106995403,0.0106995403,GGA+U,P-1,A3BC56D44E4_aP108_2_bcd_h_28i_22i_2i:Co-Cu-H-O-S,108.0,"Invalid WP multiplicities - A3BC56D44E4_aP108_2_bcd_h_56i_44i_4i:Co-Cu-H-O-S, expected Co3CuH112(SO11)8 to be Co3CuH56(SO11)4" +mp-23689,Na2CoH8(SO6)2,-5.840933723,-1.6598000826,0.0011986446,0.0011986446,GGA+U,P2_1/c,AB8C2D12E2_mP50_14_a_4e_e_6e_e:Co-H-Na-O-S,50.0,"Invalid WP multiplicities - AB8C2D12E2_mP50_14_a_5e_e_11e_e:Co-H-Na-O-S, expected Na2CoH10(SO11)2 to be Na2CoH8(SO6)2" +mp-1196772,Na2CuH12(SO7)2,-5.5616581429,-1.5299319659,0.0155739198,0.0155739198,GGA,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Cu-H-Na-O-S,62.0,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Cu-H-Na-O-S +mp-1215088,CoCuH28(SO11)2,-5.4883476137,-1.3530901117,0.0129730323,0.0129730323,GGA+U,P2_1/c,ABC28D22E2_mP108_14_a_d_14e_11e_e:Co-Cu-H-O-S,108.0,ABC28D22E2_mP108_14_a_d_14e_11e_e:Co-Cu-H-O-S +mp-1221835,Na3Co2CuH8S4O17,-5.7566595737,-1.4690957435,0.1911220353,0.1911220353,GGA+U,P2_1,A2BC8D3E17F4_mP70_4_2a_a_8a_3a_17a_4a:Co-Cu-H-Na-O-S,70.0,A2BC8D3E17F4_mP70_4_2a_a_8a_3a_17a_4a:Co-Cu-H-Na-O-S +mp-1173785,Na2Cu4H5(SO5)4,-5.8853611766,-1.5572159999,0.0100192033,0.0100192033,GGA,P2/m,A4B5C2D20E4_mP35_10_o_bmn_ce_3m3n2o_mn:Cu-H-Na-O-S,35.0,"Invalid WP multiplicities - A4B5C2D20E4_aP35_2_4i_a4i_cf_19i_3i:Cu-H-Na-O-S, expected Na2Cu8H9(S3O19)2 to be Na2Cu4H5(SO5)4" +mp-721317,Na2CuH4(SO5)2,-5.8187740895,-1.7106189167,0.0003643286,0.0003643286,GGA,P2_1/c,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cu-H-Na-O-S,38.0,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Cu-H-Na-O-S +mp-1210745,Na2CuH2(SO4)2,-5.5002106347,-1.4084693833,0.3696667843,0.3696667843,GGA,P2_1/c,AB2C2D8E2_mP30_14_a_e_e_4e_e:Cu-H-Na-O-S,30.0,AB2C2D8E2_mP30_14_a_e_e_4e_e:Cu-H-Na-O-S +mp-1203216,Na2CoH12(SO7)2,-5.6741512581,-1.5453569802,0.0422976102,0.0422976102,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-Na-O-S,62.0,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Co-H-Na-O-S +mp-1221084,NaCu2H3(SO5)2,-5.8769130578,-1.5747517459,0.0,-0.0014585162,GGA,Cm,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Cu-H-Na-O-S,18.0,A2B3CD10E2_mC36_8_b_3a_a_6a2b_2a:Cu-H-Na-O-S +mp-1210157,NaCu2H3(SO5)2,-5.8766707983,-1.5745094864,0.0002422594,-0.0012162567,GGA,C2/m,A2B3CD10E2_mC36_12_e_ai_c_3ij_i:Cu-H-Na-O-S,18.0,A2B3CD10E2_mC36_12_e_ci_a_3ij_i:Cu-H-Na-O-S +mp-1223295,Li2MgZr2H4(OF3)4,-5.8425866876,-2.6902293405,0.2195675179,0.2195675179,GGA,P-1,A12B4C2DE4F2_aP25_2_6i_2i_i_a_2i_i:F-H-Li-Mg-O-Zr,25.0,A12B4C2DE4F2_aP25_2_6i_2i_i_a_2i_i:F-H-Li-Mg-O-Zr +mp-1340838,Li2MgZr2H4(OF3)4,-3.3459300812,-0.1935727341,2.7162241243,2.7162241243,GGA,P-1,A12B4C2DE4F2_aP25_2_6i_2i_i_a_2i_i:F-H-Li-Mg-O-Zr,25.0,A12B4C2DE4F2_aP25_2_6i_2i_i_a_2i_i:F-H-Li-Mg-O-Zr +mp-1025460,MgZrF6,-6.692451165,-3.9903443544,0.0,-0.0527546522,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Mg-Zr,8.0,A6BC_cF32_225_e_a_b:F-Mg-Zr +mp-1222626,Li2MgZrO4,-7.2470711887,-3.0279985315,0.0161506319,0.0161506319,GGA,I-4m2,A2BC4D_tI16_119_ac_b_ef_d:Li-Mg-O-Zr,8.0,"Invalid WP multiplicities - A2BC4D_tI16_119_ac_b_e2f_d:Li-Mg-O-Zr, expected Li2MgZrO6 to be Li2MgZrO4" +mp-1233045,MgZr2H12(OF3)4,-5.5283455642,-2.233736006,0.1935066844,0.1935066844,GGA,P1,A12B12CD4E2_aP31_1_12a_12a_a_4a_2a:F-H-Mg-O-Zr,31.0,A12B12CD4E2_aP31_1_12a_12a_a_4a_2a:F-H-Mg-O-Zr +mp-1234193,MgZr2H12(OF3)4,-5.5296353771,-2.2350258189,0.1922168715,0.1922168715,GGA,C2,A12B12CD4E2_mC62_5_6c_6c_a_2c_ab:F-H-Mg-O-Zr,31.0,"Invalid WP multiplicities - A12B12CD4E2_mC62_5_9c_9c_a_3c_ab:F-H-Mg-O-Zr, expected MgZr2H18(OF3)6 to be MgZr2H12(OF3)4" +mp-1022534,LiMg6Zr,-2.4296201712,0.0776678033,0.112554451,0.112554451,GGA,Amm2,AB6C_oC16_38_a_abde_b:Li-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:Li-Mg-Zr, expected LiMg12Zr to be LiMg6Zr" +mp-1022537,LiMg6Zr,-2.4190383594,0.0882496152,0.1231362629,0.1231362629,GGA,Amm2,AB6C_oC16_38_a_2bde_a:Li-Mg-Zr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:Li-Mg-Zr, expected LiMg12Zr to be LiMg6Zr" +mp-1027939,LiMg14Zr,-2.0238462381,0.0299377742,0.0607565222,0.0607565222,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:Li-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:Li-Mg-Zr, expected LiMg18Zr to be LiMg14Zr" +mp-1027929,LiMg14Zr,-2.0372989931,0.0164850192,0.0473037672,0.0473037672,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:Li-Mg-Zr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:Li-Mg-Zr, expected LiMg26Zr to be LiMg14Zr" +mp-850091,Li9Nb10Cr6(PO4)24,-8.1391315397,-2.7535245227000003,0.0368166707,0.0368166707,GGA+U,P1,A6B9C10D96E24_aP145_1_6a_9a_10a_96a_24a:Cr-Li-Nb-O-P,145.0,A6B9C10D96E24_aP145_1_6a_9a_10a_96a_24a:Cr-Li-Nb-O-P +mp-776566,Li4Mn3NbCr2(PO4)6,-7.9414330472,-2.5481960114,0.1004487051,0.1004487051,GGA+U,P1,A2B4C3DE24F6_aP40_1_2a_4a_3a_a_24a_6a:Cr-Li-Mn-Nb-O-P,40.0,A2B4C3DE24F6_aP40_1_2a_4a_3a_a_24a_6a:Cr-Li-Mn-Nb-O-P +mp-867530,Li4Mn2Nb3Cr3O16,-8.4115734161,-2.5412234532,0.0920655038,0.0920655038,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Cr-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Cr-Li-Mn-Nb-O, expected Li4Mn2Nb3Cr3O20 to be Li4Mn2Nb3Cr3O16" +mp-771853,Mn3Nb2Cr3O16,-8.7414418333,-2.2499910939,0.0620215942,0.0620215942,GGA+U,P1,A3B3C2D16_aP24_1_3a_3a_2a_16a:Cr-Mn-Nb-O,24.0,A3B3C2D16_aP24_1_3a_3a_2a_16a:Cr-Mn-Nb-O +mp-756556,Mn3Nb2Cr3O16,-8.7316445625,-2.2401938231,0.071818865,0.071818865,GGA+U,Cm,A3B3C2D16_mC48_8_ab_ab_2a_8a4b:Cr-Mn-Nb-O,24.0,"Invalid WP multiplicities - A3B3C2D16_mC48_8_ab_ab_2a_8a6b:Cr-Mn-Nb-O, expected Mn3Nb2Cr3O20 to be Mn3Nb2Cr3O16" +mp-758746,Li6NbCr3(PO4)6,-7.6703559177,-2.6274976987,0.078211226,0.078211226,GGA+U,P1,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Nb-O-P,40.0,A3B6CD24E6_aP40_1_3a_6a_a_24a_6a:Cr-Li-Nb-O-P +mp-775967,Mn3NbCr2(PO4)6,-8.3167008236,-2.536317769,0.0966494025,0.0966494025,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Cr-Mn-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_3b:Cr-Mn-Nb-O-P, expected Mn3NbCr2(P3O22)3 to be Mn3NbCr2(PO4)6" +mp-756399,Li4Mn3Nb2Cr3O16,-8.3057269239,-2.4689230235,0.0184644347,0.0184644347,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Cr-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Cr-Li-Mn-Nb-O, expected Li4Mn3Nb2Cr3O20 to be Li4Mn3Nb2Cr3O16" +mp-1095969,MnNb2Cr,-5.9624901175,3.791928093,3.8565835359,3.8565835359,GGA,Immm,ABC2_oI8_71_a_b_e:Cr-Mn-Nb,4.0,ABC2_oI8_71_a_b_e:Cr-Mn-Nb +mp-1114109,Na2LiNiF6,-4.743063509,-2.5627651151,0.0646307958,0.0646307958,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ni,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Ni +mp-1200250,NaLiNiPO4F,-6.5226613958,-2.508981267,0.0,-0.0059088944,GGA+U,P2_1/c,ABCDE4F_mP36_14_e_e_e_e_4e_e:F-Li-Na-Ni-O-P,36.0,ABCDE4F_mP36_14_e_e_e_e_4e_e:F-Li-Na-Ni-O-P +mp-1194870,Na4NiP2O7F2,-6.3597087144,-2.5880448531,0.0,-0.0101340544,GGA+U,Imma,A2B4CD7E2_oI64_74_ae_gh_c_ehj_h:F-Na-Ni-O-P,64.0,A2B4CD7E2_oI64_74_ae_gh_c_ehj_h:F-Na-Ni-O-P +mp-939428,LiNiPO4F,-3.9333865544,0.4166879289,2.7438221398,2.7438221398,GGA+U,P-1,ABCD4E_aP16_2_i_i_be_4i_i:F-Li-Ni-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_be_6i_i:F-Li-Ni-O-P, expected LiNiPO6F to be LiNiPO4F" +mp-25413,LiNiPO4F,-6.5819012275,-2.2318267443,0.0953074666,0.0953074666,GGA+U,P-1,ABCD4E_aP16_2_i_i_be_4i_i:F-Li-Ni-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_be_6i_i:F-Li-Ni-O-P, expected LiNiPO6F to be LiNiPO4F" +mp-1406815,LiNiPO4F,-4.0112514781,0.3388230051,2.665957216,2.665957216,GGA+U,P-1,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Ni-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_ab_6i_i:F-Li-Ni-O-P, expected LiNiPO6F to be LiNiPO4F" +mp-1176633,LiNiPO4F,-6.5918981634,-2.2418236802,0.0853105307,0.0853105307,GGA+U,Pm,ABCD4E_mP64_6_4a4b_2a4bc_4c_8a8b8c_4a4b:F-Li-Ni-O-P,64.0,ABCD4E_mP64_6_4a4b_2a4bc_4c_8a8b8c_4a4b:F-Li-Ni-O-P +mp-25397,Li2NiPO4F,-6.5923070733,-2.5134716586,0.0303601658,0.0303601658,GGA+U,P1,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Ni-O-P,36.0,"Invalid WP multiplicities - AB2CD4E_aP18_1_2a_4a_4a_8a_2a:F-Li-Ni-O-P, expected Li2Ni2PO4F to be Li2NiPO4F" +mp-1172964,Li2NiPO4F,-6.5699656806,-2.4911302658,0.0527015586,0.0527015586,GGA+U,P1,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Ni-O-P,18.0,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Ni-O-P +mp-554446,Li2NiPO4F,-6.5929930279,-2.5141576132,0.0296742113,0.0296742113,GGA+U,Pnma,AB2CD4E_oP72_62_2c_2cd_ab_4c2d_2c:F-Li-Ni-O-P,72.0,"Invalid WP multiplicities - AB2CD4E_oP72_62_6c_7c6d_ab_15c12d_5c:F-Li-Ni-O-P, expected Li19Ni2P5(O13F2)3 to be Li2NiPO4F" +mp-758764,Li3Ni2P2(O4F)2,-6.6183745775,-2.4118972482,0.0299592287,0.0299592287,GGA+U,P2_1/c,A2B3C2D8E2_mP68_14_2e_3e_abcd_8e_2e:F-Li-Ni-O-P,68.0,"Invalid WP multiplicities - A2B3C2D8E2_mP68_14_5e_9e_2a2b2c2d_29e_5e:F-Li-Ni-O-P, expected Li9Ni4P5O29F5 to be Li3Ni2P2(O4F)2" +mp-1203157,Na2NiPO4F,-6.4108377636,-2.4623129207,0.0,-0.0128574989,GGA+U,P2_1/c,AB2CD4E_mP72_14_2e_4e_2e_8e_2e:F-Na-Ni-O-P,72.0,AB2CD4E_mP72_14_2e_4e_2e_8e_2e:F-Na-Ni-O-P +mp-23717,Ca2MgP2(H2O5)2,-6.8070415689,-2.6241007207,0.0015217524,0.0015217524,GGA,P-1,A2B4CD10E2_aP19_2_i_2i_a_5i_i:Ca-H-Mg-O-P,19.0,"Invalid WP multiplicities - A2B4CD10E2_aP19_2_i_2i_a_6i_i:Ca-H-Mg-O-P, expected Ca2MgP2(HO3)4 to be Ca2MgP2(H2O5)2" +mp-1233768,MgZn2P4(H4O5)4,-5.8447873786,-1.6822206753,0.1716674621,0.1716674621,GGA,P-1,A16BC20D4E2_aP43_2_8i_a_10i_2i_bc:H-Mg-O-P-Zn,43.0,A16BC20D4E2_aP43_2_8i_a_10i_2i_bc:H-Mg-O-P-Zn +mp-1227427,Ca6Mg2ZnP6(H2O5)6,-6.7455774875,-2.5686109629,0.0057678438,0.0057678438,GGA,P-1,A6B12C2D30E6F_aP57_2_3i_6i_i_15i_3i_a:Ca-H-Mg-O-P-Zn,57.0,"Invalid WP multiplicities - A6B12C2D30E6F_aP57_2_5i_10i_i_25i_5i_a:Ca-H-Mg-O-P-Zn, expected Ca10Mg2ZnP10(H2O5)10 to be Ca6Mg2ZnP6(H2O5)6" +mp-722378,CaZnP2H5O8,-6.0092198356,-1.8545675757,0.2180189521,0.2180189521,GGA,P2_1/c,AB5C8D2E_mP68_14_e_5e_8e_2e_e:Ca-H-O-P-Zn,68.0,AB5C8D2E_mP68_14_e_5e_8e_2e_e:Ca-H-O-P-Zn +mp-1203094,MgZn2P2(H6O5)4,-5.6004957764,-1.6146677848,0.0183511638,0.0183511638,GGA,P2_1/c,A24BC20D2E2_mP98_14_12e_a_10e_e_e:H-Mg-O-P-Zn,98.0,A24BC20D2E2_mP98_14_12e_a_10e_e_e:H-Mg-O-P-Zn +mp-1214144,Ca2ZnP2(H2O5)2,-6.6232715789,-2.4582537013,0.0131556082,0.0131556082,GGA,P-1,A2B4C10D2E_aP19_2_i_2i_5i_i_a:Ca-H-O-P-Zn,19.0,A2B4C10D2E_aP19_2_i_2i_5i_i_a:Ca-H-O-P-Zn +mp-726800,Mn4Si4SnB2(HO9)2,-8.1456245842,-2.6119620817,0.0,-0.0119094348,GGA+U,P-1,A2B2C4D18E4F_aP31_2_i_i_2i_9i_2i_a:B-H-Mn-O-Si-Sn,31.0,A2B2C4D18E4F_aP31_2_i_i_2i_9i_2i_a:B-H-Mn-O-Si-Sn +mp-1210555,Mn3SnH,-7.021802046,-0.0441332908,0.0,-0.0335518254,GGA,Pm-3m,AB3C_cP5_221_b_c_a:H-Mn-Sn,5.0,AB3C_cP5_221_b_c_a:H-Mn-Sn +mp-22213,MnSn(BO3)2,-8.120794296,-2.4997440004,0.0,-0.0089910541,GGA+U,R-3,A2BC6D_hR30_148_c_a_f_b:B-Mn-O-Sn,10.0,A2BC6D_hR30_148_c_a_f_b:B-Mn-O-Sn +mp-2713690,Na5Ca4PS5O24,-6.633469185,-2.5449792645,0.0301248324,0.0301248324,GGA,P1,A4B5C24DE5_aP117_1_12a_15a_72a_3a_15a:Ca-Na-O-P-S,117.0,A4B5C24DE5_aP117_1_12a_15a_72a_3a_15a:Ca-Na-O-P-S +mp-2714455,Na7Ca4P3(SO8)3,-6.6829634197,-2.6671131083,0.0401322662,0.0401322662,GGA,P1,A4B7C24D3E3_aP123_1_12a_21a_72a_9a_9a:Ca-Na-O-P-S,123.0,A4B7C24D3E3_aP123_1_12a_21a_72a_9a_9a:Ca-Na-O-P-S +mp-2713820,Na3Ca2P(SO6)2,-6.6522198579000005,-2.6009577371,0.0427765615,0.0427765615,GGA,Cc,A2B3C12DE2_mC240_9_6a_9a_36a_3a_6a:Ca-Na-O-P-S,120.0,"Invalid WP multiplicities - A2B3C12DE2_mC240_9_6a_12a_60a_3a_9a:Ca-Na-O-P-S, expected Na4Ca2PS3O20 to be Na3Ca2P(SO6)2" +mp-2715830,Na7Ca2In2P5SO24,-6.7317125467,-2.6171824066,0.0420205943,0.0420205943,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-In-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-In-Na-O-P-S +mp-2714228,Na7CaIn3(PO4)6,-6.7706441185,-2.606774064,0.0273798051,0.0273798051,GGA,P1,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-In-Na-O-P,123.0,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-In-Na-O-P +mp-2714662,Na5Ca2In2P3(SO8)3,-6.6589247952,-2.4666945419,0.0593110708,0.0593110708,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-In-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-In-Na-O-P-S +mp-2713026,Na4Ca2P2SO12,-6.7040513111,-2.7219265326,0.0391416983,0.0391416983,GGA,Cc,A2B4C12D2E_mC84_9_2a_4a_12a_2a_a:Ca-Na-O-P-S,126.0,"Invalid WP multiplicities - A2B4C12D2E_mC84_9_6a_14a_60a_7a_a:Ca-Na-O-P-S, expected Na14Ca6P7SO60 to be Na4Ca2P2SO12" +mp-2712728,Na3Ca2In2PS5O24,-6.5849831523,-2.3066527737,0.0316151233,0.0316151233,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-In-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-In-Na-O-P-S +mp-2715182,Na4CaIn(PO4)3,-6.7622981716,-2.6838430840000003,0.0299655834,0.0299655834,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Ca-In-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Ca-In-Na-O-P, expected Na4CaIn(PO12)3 to be Na4CaIn(PO4)3" +mp-2712775,Na3CaInP2SO12,-6.6929047576,-2.5404958123,0.0575930743,0.0575930743,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ca-In-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Ca-In-Na-O-P-S, expected Na8CaInP7SO60 to be Na3CaInP2SO12" +mp-2713362,Na2CaInP(SO6)2,-6.6150011,-2.3808536804,0.0592620534,0.0592620534,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Ca-In-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Ca-In-Na-O-P-S, expected Na2CaInPS3O20 to be Na2CaInP(SO6)2" +mp-2713140,ZrSnP2SO12,-7.7285422629,-2.61791921,0.0001995878,0.0001995878,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Sn-Zr,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Sn-Zr +mp-2716249,NaZr2Sn2P5SO24,-7.774691328,-2.7358181356,0.0115021894,0.0115021894,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Zr,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Zr +mp-777903,Li4Cr2Fe3Sn3O16,-7.1501009682,-2.0241157903,0.0680225175,0.0680225175,GGA+U,Cm,A2B3C4D16E3_mC56_8_2a_ab_4a_8a4b_ab:Cr-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A2B3C4D16E3_mC56_8_2a_ab_4a_8a6b_ab:Cr-Fe-Li-O-Sn, expected Li4Cr2Fe3Sn3O20 to be Li4Cr2Fe3Sn3O16" +mp-1178427,Cr2Fe3Sn(PO4)6,-7.9320150778,-2.3785130074,0.0689066487,0.0689066487,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_22b_2b_a:Cr-Fe-O-P-Sn, expected Cr2Fe3Sn(PO11)6 to be Cr2Fe3Sn(PO4)6" +mp-1177657,Li4CrFe3Sn2(PO4)6,-7.49693382,-2.4489765603,0.0416947049,0.0416947049,GGA+U,P1,AB3C4D24E6F2_aP40_1_a_3a_4a_24a_6a_2a:Cr-Fe-Li-O-P-Sn,40.0,AB3C4D24E6F2_aP40_1_a_3a_4a_24a_6a_2a:Cr-Fe-Li-O-P-Sn +mp-775748,Li4Cr3Fe2Sn3O16,-7.2755851618,-2.107349046,0.0510359027,0.0510359027,GGA+U,P1,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-Sn,28.0,A3B2C4D16E3_aP28_1_3a_2a_4a_16a_3a:Cr-Fe-Li-O-Sn +mp-1008226,CrFe2Sn,-7.3963193675,0.2543460688,0.255708535,0.255708535,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Cr-Fe-Sn,4.0,AB2C_cF16_225_a_c_b:Cr-Fe-Sn +mp-776666,CrFe3Sn2(PO4)6,-7.7429893942,-2.3462505353,0.0822316995,0.0822316995,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Fe-O-P-Sn,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_22b_3b_2a:Cr-Fe-O-P-Sn, expected CrFe3Sn2(P3O22)3 to be CrFe3Sn2(PO4)6" +mp-775073,Li4Cr3Fe3(SnO8)2,-7.4022869318,-2.0747490533,0.0276769229,0.0276769229,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-Sn,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-Sn +mp-1368023,Li4Cr3Fe3(SnO8)2,-4.5546944604,0.7728434181,2.8752693943,2.8752693943,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-Sn,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Cr-Fe-Li-O-Sn +mp-754548,Li4Cr3Fe3(SnO8)2,-7.3580732396,-2.0305353612,0.071890615,0.071890615,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Cr-Fe-Li-O-Sn,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Cr-Fe-Li-O-Sn, expected Li4Cr3Fe3(SnO10)2 to be Li4Cr3Fe3(SnO8)2" +mp-1211493,Rb3Cd(NO2)3,-5.2723625323,-0.7682003,0.4875647967,0.4875647967,GGA,P1,AB3C6D3_aP13_1_a_3a_6a_3a:Cd-N-O-Rb,13.0,AB3C6D3_aP13_1_a_3a_6a_3a:Cd-N-O-Rb +mp-727084,Rb2CdC2Cl2O5,-5.6488435704,-1.5011930899,0.4245230725,0.4245230725,GGA,Pbcm,A2BC2D5E2_oP48_57_2d_d_e_c4d_e:C-Cd-Cl-O-Rb,48.0,A2BC2D5E2_oP48_57_2d_d_e_c4d_e:C-Cd-Cl-O-Rb +mp-729099,Rb2CdC2NClO8,-6.1219444136,-1.3819557359,0.3333719527,0.3333719527,GGA,Pbca,A2BCDE8F2_oP120_61_2c_c_c_c_8c_2c:C-Cd-Cl-N-O-Rb,120.0,A2BCDE8F2_oP120_61_2c_c_c_c_8c_2c:C-Cd-Cl-N-O-Rb +mp-11016,RbCd(NO2)3,-6.1793089709,-1.0344870732,0.0875247733,0.0875247733,GGA,R3,AB3C6D_hR33_146_a_b_2b_a:Cd-N-O-Rb,11.0,"Invalid WP multiplicities - AB3C6D_hR33_146_a_b_3b_a:Cd-N-O-Rb, expected RbCd(NO3)3 to be RbCd(NO2)3" +mp-22597,RbCd(NO2)3,-5.1593509936,-0.0145290959,1.1074827506,1.1074827506,GGA,Pm-3,AB3C6D_cP11_200_b_c_f_a:Cd-N-O-Rb,11.0,AB3C6D_cP11_200_b_c_f_a:Cd-N-O-Rb +mp-1095515,CdCNCl3,-4.60773367,-0.6021236437,0.2928069789,0.2928069789,GGA,P2_1/m,ABC3D_mP12_11_e_a_3e_e:C-Cd-Cl-N,12.0,ABC3D_mP12_11_e_a_3e_e:C-Cd-Cl-N +mp-726642,CdCN3Cl2O,-6.0858635378,-0.6102632805,0.282688383,0.282688383,GGA,Pna2_1,ABC2D3E_oP32_33_a_a_2a_3a_a:C-Cd-Cl-N-O,32.0,ABC2D3E_oP32_33_a_a_2a_3a_a:C-Cd-Cl-N-O +mp-1179807,RbCd6C12ClO26,-6.821965652,-1.4366547455,0.2729605762,0.2729605762,GGA,R-3,A12B6CD26E_hR138_148_2f_f_a_c4f_b:C-Cd-Cl-O-Rb,46.0,A12B6CD26E_hR138_148_2f_f_a_c4f_b:C-Cd-Cl-O-Rb +mp-1199754,CdC3NCl3,-4.8529769664,0.4583969264,1.1295948934,1.1295948934,GGA,Pnma,A3BC3D_oP64_62_2c2d_d_6c_2c:C-Cd-Cl-N,64.0,A3BC3D_oP64_62_2c2d_d_6c_2c:C-Cd-Cl-N +mp-1224471,Li14Ce5Si11N19O7F2,-7.2255614813,-1.8305261929,0.0446087125,0.0446087125,GGA,Pmn2_1,A5B2C14D19E7F11_oP116_31_a2b_2a_6a4b_7a6b_5ab_7a2b:Ce-F-Li-N-O-Si,116.0,"Invalid WP multiplicities - A5B2C14D19E7F11_oP116_31_a2b_2a_9a14b_10a21b_6ab_10a7b:Ce-F-Li-N-O-Si, expected Li37Ce5Si24N52(O4F)2 to be Li14Ce5Si11N19O7F2" +mp-1205196,Li5Ce5(SiN3)4,-7.5119601004,-1.3216035108,0.0559279933,0.0559279933,GGA,P-4b2,A5B5C12D4_tP52_117_ci_di_gh2i_i:Ce-Li-N-Si,52.0,A5B5C12D4_tP52_117_ci_di_gh2i_i:Ce-Li-N-Si +mp-8181,Li2CeN2,-6.409626422,-1.1248414743,0.0,-0.1846346945,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ce-Li-N,5.0,AB2C2_hP5_164_a_d_d:Ce-Li-N +mp-1200123,NaSm(PO3)4,-7.7421869367,-2.9058210483,0.0,-0.0115284224,GGA,P2_1/c,AB12C4D_mP72_14_e_12e_4e_e:Na-O-P-Sm,72.0,AB12C4D_mP72_14_e_12e_4e_e:Na-O-P-Sm +mp-1210769,Na3Sm(PO4)2,-7.1647527541,-2.9443044171,0.0,-0.0135201952,GGA,Pca2_1,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Sm,112.0,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Sm +mp-693612,NaCa3SmP3O12F,-7.614482075,-3.3492648326,0.0029663586,0.0029663586,GGA,P1,A3BCD12E3F_aP84_1_12a_4a_4a_48a_12a_4a:Ca-F-Na-O-P-Sm,84.0,A3BCD12E3F_aP84_1_12a_4a_4a_48a_12a_4a:Ca-F-Na-O-P-Sm +mp-2716430,NaNbGa3P3(SO8)3,-7.1361395336,-2.3396279739,0.0293127899,0.0293127899,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ga-Na-Nb-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ga-Na-Nb-O-P-S +mp-2716123,NaNb2Ga2P5SO24,-7.7009987574,-2.6294325035,0.0185072769,0.0185072769,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Ga-Na-Nb-O-P-S,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Ga-Na-Nb-O-P-S +mp-2712924,NbGa3P2(SO6)4,-7.0735591639,-2.2124260269,0.0216792538,0.0216792538,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Ga-Nb-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Ga-Nb-O-P-S +mp-2716061,Na3NbGa3P5SO24,-7.2271002774,-2.5493526974,0.0420226245,0.0420226245,GGA,P1,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:Ga-Na-Nb-O-P-S,111.0,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:Ga-Na-Nb-O-P-S +mp-2713454,NbGaP2SO12,-7.6507627195,-2.5064850444,0.0148251064,0.0148251064,GGA,Cc,ABC12D2E_mC68_9_a_a_12a_2a_a:Ga-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12D2E_mC68_9_a_a_60a_7a_a:Ga-Nb-O-P-S, expected NbGaP7SO60 to be NbGaP2SO12" +mp-2712809,Na2NbGa3P4(SO12)2,-7.1928299585,-2.4573498884,0.0389354982,0.0389354982,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Ga-Na-Nb-O-P-S,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Ga-Na-Nb-O-P-S +mp-1183004,Al2FeP2(HO)18,-6.0505484551,-1.7359815406,0.102051853,0.102051853,GGA+U,P-1,A2BC18D18E2_aP41_2_ac_b_9i_9i_i:Al-Fe-H-O-P,41.0,A2BC18D18E2_aP41_2_ac_b_9i_9i_i:Al-Fe-H-O-P +mp-1199432,Al2FeP2(HO)18,-6.1302569371,-1.8156900225,0.0223433711,0.0223433711,GGA+U,P-1,A2BC18D18E2_aP41_2_ac_f_9i_9i_i:Al-Fe-H-O-P,41.0,A2BC18D18E2_aP41_2_ac_f_9i_9i_i:Al-Fe-H-O-P +mp-1238545,Al2FeP2(HO)18,-5.8320771076,-1.517510193,0.3205232006,0.3205232006,GGA+U,P-1,A2BC18D18E2_aP41_2_ac_b_9i_9i_i:Al-Fe-H-O-P,41.0,A2BC18D18E2_aP41_2_ac_b_9i_9i_i:Al-Fe-H-O-P +mp-1213332,Fe6CuP4(H4O7)4,-6.6579513549,-1.7604341805,0.013558348,0.013558348,GGA+U,P-1,AB6C16D28E4_aP55_2_a_3i_8i_14i_2i:Cu-Fe-H-O-P,55.0,AB6C16D28E4_aP55_2_a_3i_8i_14i_2i:Cu-Fe-H-O-P +mp-1182935,Al6CuP4(H4O7)4,-6.360359838,-1.9782367051,0.2927302247,0.2927302247,GGA,P-1,A6BC16D28E4_aP55_2_3i_a_8i_14i_2i:Al-Cu-H-O-P,55.0,A6BC16D28E4_aP55_2_3i_a_8i_14i_2i:Al-Cu-H-O-P +mp-1202099,Al6CuP4(H4O7)4,-6.6284245738,-2.2463014409,0.0246654889,0.0246654889,GGA,P-1,A6BC16D28E4_aP55_2_3i_a_8i_14i_2i:Al-Cu-H-O-P,55.0,A6BC16D28E4_aP55_2_3i_a_8i_14i_2i:Al-Cu-H-O-P +mp-1229285,Al4Fe2CuP4(H8O13)2,-6.5136554153,-1.9745556861,0.1435031378,0.1435031378,GGA+U,P-1,A4BC2D16E26F4_aP53_2_2i_a_i_8i_13i_2i:Al-Cu-Fe-H-O-P,53.0,A4BC2D16E26F4_aP53_2_2i_a_i_8i_13i_2i:Al-Cu-Fe-H-O-P +mp-556278,Bi6As9Se4S10(O4F13)5,-5.2149095622,-2.2017248945,0.0369362057,0.0369362057,GGA,P-1,A9B6C65D20E10F4_aP114_2_a4i_3i_d32i_10i_5i_2i:As-Bi-F-O-S-Se,114.0,"Invalid WP multiplicities - A9B6C65D20E10F4_aP114_2_a8i_4i_d63i_20i_9i_3i:As-Bi-F-O-S-Se, expected Bi8As17Se6S18O40F127 to be Bi6As9Se4S10(O4F13)5" +mp-2716245,NaZr2Ti2P5SO24,-8.2447905869,-2.9838648138,0.015937752,0.015937752,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Zr,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Zr +mp-2713138,ZrTiP2SO12,-8.2259906338,-2.8867840419,0.0061322047,0.0061322047,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Ti-Zr,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Ti-Zr +mp-1173726,Na4Cu7P4(ClO9)2,-6.1393929431,-1.9001007142,0.0311959223,0.0311959223,GGA,Amm2,A2B7C4D18E4_oC70_38_ab_acde_f_ab2d2e2f_de:Cl-Cu-Na-O-P,35.0,"Invalid WP multiplicities - A2B7C4D18E4_oC70_38_ab_a2cde_f_ab4d3e4f_de:Cl-Cu-Na-O-P, expected Na4Cu9P4(ClO16)2 to be Na4Cu7P4(ClO9)2" +mp-1221493,Na2Cu4P2ClO9,-6.0903951533,-1.8549941899,0.0239866075,0.0239866075,GGA,Cmcm,AB4C2D9E2_oC72_63_c_acg_e_c2gh_g:Cl-Cu-Na-O-P,36.0,AB4C2D9E2_oC72_63_c_acg_e_c2gh_g:Cl-Cu-Na-O-P +mp-1203696,Na3CuPHClO5,-5.5694466429,-1.9482140331,0.1362579044,0.1362579044,GGA,Pnma,ABCD3E5F_oP48_62_c_a_c_cd_3cd_c:Cl-Cu-H-Na-O-P,48.0,ABCD3E5F_oP48_62_c_a_c_cd_3cd_c:Cl-Cu-H-Na-O-P +mp-720337,Na6CuP4(H13O15)2,-5.1792436019,-1.1449285726,0.5381018434,0.5381018434,GGA,P-1,AB26C6D30E4_aP67_2_a_13i_3i_15i_2i:Cu-H-Na-O-P,67.0,AB26C6D30E4_aP67_2_a_13i_3i_15i_2i:Cu-H-Na-O-P +mp-707247,Na4CuP6(H4O11)2,-6.482888499,-2.1453742822,0.0375111768,0.0375111768,GGA,P-1,AB8C4D22E6_aP41_2_a_4i_2i_11i_3i:Cu-H-Na-O-P,41.0,AB8C4D22E6_aP41_2_a_4i_2i_11i_3i:Cu-H-Na-O-P +mp-1204584,NaCu4P2ClO9,-6.2016343154,-1.7948877244,0.0093237513,0.0093237513,GGA,P2_1/c,AB4CD9E2_mP68_14_e_ac3e_e_9e_2e:Cl-Cu-Na-O-P,68.0,AB4CD9E2_mP68_14_e_ac3e_e_9e_2e:Cl-Cu-Na-O-P +mp-2714547,Na2Y2Al2SiS5O24,-7.2052735601,-2.5414613126,0.1016163492,0.1016163492,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Al-Na-O-S-Si-Y,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Al-Na-O-S-Si-Y +mp-2714457,Na4YAlSi2SO12,-7.0627641422,-2.7842165908,0.1232335569,0.1232335569,GGA,P1,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:Al-Na-O-S-Si-Y,126.0,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:Al-Na-O-S-Si-Y +mp-2713954,Na6Y4Al4Si3(S3O16)3,-7.2011412925,-2.6102169606,0.0984510984,0.0984510984,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Al-Na-O-S-Si-Y,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Al-Na-O-S-Si-Y +mp-2715075,Na10Y4Al4Si5S7O48,-7.1345397759,-2.6781777494,0.1259394825,0.1259394825,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Al-Na-O-S-Si-Y,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Al-Na-O-S-Si-Y +mp-1216157,Y6Al2SiS14,-6.7443787591,-1.9780485632,0.0009188113,0.0009188113,GGA,P3,A2B14CD6_hP23_143_ac_ab4d_b_2d:Al-S-Si-Y,23.0,A2B14CD6_hP23_143_ac_ab4d_b_2d:Al-S-Si-Y +mp-2713858,YAl(SO4)3,-7.2850872543,-2.4626366026,0.0316333027,0.0316333027,GGA,P321,AB12C3D_hP102_150_3d_12g_ef2g_2cd:Al-O-S-Y,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_5d_20g_ef4g_3cd:Al-O-S-Y, expected Y4Al5(SO4)15 to be YAl(SO4)3" +mp-2714273,Na2Y4Al4SiS11O48,-7.241034128,-2.5001689413,0.072590423,0.072590423,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Al-Na-O-S-Si-Y,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Al-Na-O-S-Si-Y +mp-2716205,Na6Y2Al2Si3(SO8)3,-7.113756233,-2.7196292728,0.1284244243,0.1284244243,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Al-Na-O-S-Si-Y,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Al-Na-O-S-Si-Y +mp-2713546,Na2YAlSi(SO6)2,-7.1638296128,-2.6419569902,0.1159113309,0.1159113309,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-S-Si-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-S-Si-Y +mp-2715604,Na14Y4Al4Si7S5O48,-7.0881361223,-2.7532083715,0.1316681369,0.1316681369,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Al-Na-O-S-Si-Y,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Al-Na-O-S-Si-Y +mp-2716377,NaNbAl3P3(SO8)3,-7.4786730678,-2.6206632388,0.0278981879,0.0278981879,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Al-Na-Nb-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Al-Na-Nb-O-P-S +mp-2713365,NbAlP2SO12,-7.8905411209,-2.7040587512,0.0177287944,0.0177287944,GGA,Cc,ABC12D2E_mC68_9_a_a_12a_2a_a:Al-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12D2E_mC68_9_a_a_60a_7a_a:Al-Nb-O-P-S, expected NbAlP7SO60 to be NbAlP2SO12" +mp-2715835,Na3NbAl3P5SO24,-7.5500646653,-2.8141430469,0.0366805964,0.0366805964,GGA,P1,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:Al-Na-Nb-O-P-S,111.0,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:Al-Na-Nb-O-P-S +mp-2716202,NaNb2Al2P5SO24,-7.931054255,-2.8184891548,0.0169196497,0.0169196497,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Al-Na-Nb-O-P-S,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:Al-Na-Nb-O-P-S +mp-2712780,Na2NbAl3P4(SO12)2,-7.5253373287,-2.7300672746,0.0304836389,0.0304836389,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Al-Na-Nb-O-P-S,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:Al-Na-Nb-O-P-S +mp-2712914,NbAl3P2(SO6)4,-7.4311705058,-2.5067303269,0.0221746633,0.0221746633,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Al-Nb-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Al-Nb-O-P-S +mp-2712573,Na3LaMgP2SO12,-6.9807024528,-2.7393433302,0.0925596934,0.0925596934,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:La-Mg-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:La-Mg-Na-O-P-S, expected Na8LaMgP7SO60 to be Na3LaMgP2SO12" +mp-2714909,Na5La2Mg2P3(SO8)3,-6.9542097671,-2.6707485628,0.1008224106,0.1008224106,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:La-Mg-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:La-Mg-Na-O-P-S +mp-2713453,Na2LaMgP(SO6)2,-6.931112563,-2.6033333779,0.0849482486,0.0849482486,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:La-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:La-Mg-Na-O-P-S, expected Na2LaMgPS3O20 to be Na2LaMgP(SO6)2" +mp-2716055,Na7La2Mg2P5SO24,-7.0234542085,-2.8221434077,0.060845721,0.060845721,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:La-Mg-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:La-Mg-Na-O-P-S +mp-2712734,Na3La2Mg2PS5O24,-6.9247365459,-2.5502438135,0.0459006386,0.0459006386,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:La-Mg-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:La-Mg-Na-O-P-S +mp-2714928,Na4LaMg(PO4)3,-7.035848785,-2.8726792429,0.0589633192,0.0589633192,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:La-Mg-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:La-Mg-Na-O-P, expected Na4LaMg(PO12)3 to be Na4LaMg(PO4)3" +mp-2713473,HfSnP2SO12,-7.8518100124,-2.658275877,0.0005853885,0.0005853885,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Sn,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Sn +mp-2716220,NaHf2Sn2P5SO24,-7.8875787762,-2.7681633895,0.0187353328,0.0187353328,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Sn,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Sn +mp-2713561,Na3Ca2Al2PS5O24,-6.8127028132,-2.4806485372,0.0590195036,0.0590195036,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Al-Ca-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Al-Ca-Na-O-P-S +mp-2713155,Na2CaAlP(SO6)2,-6.7929876975,-2.5065301674,0.1381381059,0.1381381059,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Al-Ca-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Al-Ca-Na-O-P-S, expected Na2CaAlPS3O20 to be Na2CaAlP(SO6)2" +mp-2712549,Na3CaAlP2SO12,-6.86651361,-2.6644100597,0.1114895652,0.1114895652,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Al-Ca-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Al-Ca-Na-O-P-S, expected Na8CaAlP7SO60 to be Na3CaAlP2SO12" +mp-559777,Na5Ca2Al(PO4)4,-7.0411281398,-2.9279270161,0.0,-0.0135674922,GGA,Cc,AB2C5D16E4_mC112_9_a_2a_5a_16a_4a:Al-Ca-Na-O-P,56.0,"Invalid WP multiplicities - AB2C5D16E4_mC112_9_a_2a_9a_32a_7a:Al-Ca-Na-O-P, expected Na9Ca2AlP7O32 to be Na5Ca2Al(PO4)4" +mp-2714070,Na7CaAl3(PO4)6,-7.0861634104,-2.8495695437,0.0375327685,0.0375327685,GGA,P1,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Al-Ca-Na-O-P,123.0,A3BC7D24E6_aP123_1_9a_3a_21a_72a_18a:Al-Ca-Na-O-P +mp-2715214,Na4CaAl(PO4)3,-6.931407386,-2.8056241032,0.0772847616,0.0772847616,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Al-Ca-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Al-Ca-Na-O-P, expected Na4CaAl(PO12)3 to be Na4CaAl(PO4)3" +mp-2712862,Na7Ca2Al2P5SO24,-6.9504956263,-2.7874829448,0.0464787935,0.0464787935,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Ca-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Ca-Na-O-P-S +mp-2714721,Na5Ca2Al2P3(SO8)3,-6.83005253,-2.5868534511,0.1263530505,0.1263530505,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Al-Ca-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Al-Ca-Na-O-P-S +mp-1226903,CaAl3PSO14,-6.890654272,-2.2883681869,0.3331073772,0.3331073772,GGA,R3m,A3BC14DE_hR60_160_b_a_2a4b_a_a:Al-Ca-O-P-S,20.0,A3BC14DE_hR60_160_b_a_2a4b_a_a:Al-Ca-O-P-S +mp-677638,Na27Ca3Al5(P2O7)12,-7.0315019941,-2.7944811995,0.000531243,0.000531243,GGA,P1,A5B3C27D84E24_aP143_1_5a_3a_27a_84a_24a:Al-Ca-Na-O-P,143.0,A5B3C27D84E24_aP143_1_5a_3a_27a_84a_24a:Al-Ca-Na-O-P +mp-1236113,Ba2Li(NiO3)2,-6.0330866855,-1.7615159242,0.1286041177,0.1286041177,GGA+U,Cm,A2BC2D6_mC22_8_2a_a_2a_2a2b:Ba-Li-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_8_2a_a_2a_2a4b:Ba-Li-Ni-O, expected Ba2Li(NiO5)2 to be Ba2Li(NiO3)2" +mp-1235156,Ba2Li(NiO3)2,-6.0859644373,-1.814393676,0.0757263659,0.0757263659,GGA+U,C2/m,A2BC2D6_mC22_12_i_b_ac_ij:Ba-Li-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_mC22_12_i_a_bc_2i2j:Ba-Li-Ni-O, expected Ba2Li(NiO6)2 to be Ba2Li(NiO3)2" +mp-1235250,Ba2Li(NiO3)2,-5.9997567818,-1.7281860205,0.1619340214,0.1619340214,GGA+U,P3m1,A2BC2D6_hP11_156_ab_a_2c_2d:Ba-Li-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_hP11_156_ab_a_2c_5d:Ba-Li-Ni-O, expected Ba2LiNi2O15 to be Ba2Li(NiO3)2" +mp-1236035,Ba2Li(NiO3)2,-5.7628435236,-1.4912727623,0.3988472795,0.3988472795,GGA+U,P3m1,A2BC2D6_hP11_156_bc_a_2a_2d:Ba-Li-Ni-O,11.0,"Invalid WP multiplicities - A2BC2D6_hP11_156_bc_a_2a_5d:Ba-Li-Ni-O, expected Ba2LiNi2O15 to be Ba2Li(NiO3)2" +mp-1236499,Ba2Li(NiO2)2,-5.8464297778,-1.7248852276000002,0.2802606364,0.2802606364,GGA+U,C2/m,A2BC2D4_mC18_12_i_b_ac_j:Ba-Li-Ni-O,9.0,A2BC2D4_mC18_12_i_a_bc_j:Ba-Li-Ni-O +mp-1235109,Ba2Li(NiO2)2,-5.7743148167000005,-1.6527702665,0.3523755975,0.3523755975,GGA+U,Amm2,A2BC2D4_oC18_38_ab_a_c_de:Ba-Li-Ni-O,9.0,"Invalid WP multiplicities - A2BC2D4_oC18_38_ab_a_c_2d2e:Ba-Li-Ni-O, expected Ba2Li(NiO4)2 to be Ba2Li(NiO2)2" +mp-1235151,BaLiV2Ni3(HO5)2,-6.9117340479,-1.8807625116,0.1602871681,0.1602871681,GGA+U,P1,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Li-Ni-O-V,19.0,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Li-Ni-O-V +mp-1235672,BaLiV2Ni3(HO5)2,-6.8788273363,-1.8478558,0.1931938797,0.1931938797,GGA+U,P1,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Li-Ni-O-V,19.0,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Li-Ni-O-V +mp-1235580,BaLiV2Ni3(HO5)2,-6.9285076953,-1.897536159,0.1435135207,0.1435135207,GGA+U,Cm,AB2CD3E10F2_mC38_8_a_2a_a_ab_6a2b_2a:Ba-H-Li-Ni-O-V,19.0,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Li-Ni-O-V +mp-1236326,BaLiV2Ni3(HO5)2,-6.8688154505,-1.8378439143,0.2032057654,0.2032057654,GGA+U,Cm,AB2CD3E10F2_mC38_8_a_2a_a_ab_6a2b_2a:Ba-H-Li-Ni-O-V,19.0,AB2CD3E10F2_mC38_8_a_2a_a_ab_6a2b_2a:Ba-H-Li-Ni-O-V +mp-1236219,BaLiV2Ni3(HO5)2,-6.8667894574,-1.8358179211,0.2052317586,0.2052317586,GGA+U,C2/m,AB2CD3E10F2_mC38_12_c_i_b_ae_3ij_i:Ba-H-Li-Ni-O-V,19.0,AB2CD3E10F2_mC38_12_c_i_a_be_3ij_i:Ba-H-Li-Ni-O-V +mp-775974,BaLi2NiO3,-5.6901625582,-1.9248734886,0.1139931739,0.1139931739,GGA+U,P2_1/c,AB2CD3_mP56_14_2e_4e_2e_6e:Ba-Li-Ni-O,56.0,"Invalid WP multiplicities - AB2CD3_mP56_14_5e_13e_5e_23e:Ba-Li-Ni-O, expected Ba5Li13Ni5O23 to be BaLi2NiO3" +mp-756841,BaLi2NiO3,-5.7205962086,-1.955307139,0.0835595236,0.0835595236,GGA+U,Pnma,AB2CD3_oP28_62_c_d_c_cd:Ba-Li-Ni-O,28.0,AB2CD3_oP28_62_c_d_c_cd:Ba-Li-Ni-O +mp-1205427,BaV2Ni3(HO5)2,-7.2228985356,-2.018479851,0.0,-0.0281639974,GGA+U,C2/m,AB2C3D10E2_mC36_12_c_i_ae_3ij_i:Ba-H-Ni-O-V,18.0,AB2C3D10E2_mC36_12_c_i_be_3ij_i:Ba-H-Ni-O-V +mp-776559,BaLi4NiO4,-5.5055947958,-1.9934390026,0.0523742648,0.0523742648,GGA+U,P2_1/c,AB4CD4_mP80_14_2e_8e_2e_8e:Ba-Li-Ni-O,80.0,"Invalid WP multiplicities - AB4CD4_mP80_14_7e_31e_7e_27e:Ba-Li-Ni-O, expected Ba7Li31Ni7O27 to be BaLi4NiO4" +mp-558267,NaLiSiB3HO8,-7.497185199,-2.7197733832,0.0,-0.0100628862,GGA,P2_1/c,A3BCDE8F_mP60_14_3e_e_e_e_8e_e:B-H-Li-Na-O-Si,60.0,"Invalid WP multiplicities - A3BCDE8F_mP60_14_11e_e_e_e_31e_e:B-H-Li-Na-O-Si, expected NaLiSiB11HO31 to be NaLiSiB3HO8" +mp-2714138,NaLa2Sc2PS5O24,-7.5100484377,-2.6907467627,0.0357358118,0.0357358118,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:La-Na-O-P-S-Sc,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:La-Na-O-P-S-Sc +mp-2714400,NaLaScP(SO6)2,-7.5351618006,-2.777524674,0.0400809582,0.0400809582,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:La-Na-O-P-S-Sc,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:La-Na-O-P-S-Sc +mp-2714990,Na5La2Sc2P5SO24,-7.5792754661,-2.9876582774,0.0650513997,0.0650513997,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-S-Sc,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-S-Sc +mp-2713223,Na2LaScP2SO12,-7.5625667286,-2.9185221911,0.0625389166,0.0625389166,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-P-S-Sc,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-P-S-Sc +mp-2713826,Na3La2Sc2P3(SO8)3,-7.5586751832,-2.8593693861,0.0436061032,0.0436061032,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:La-Na-O-P-S-Sc,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:La-Na-O-P-S-Sc +mp-1220690,NaYZrS4,-6.6497732057,-1.9522737051,0.0389687329,0.0389687329,GGA,P2/m,AB4CD_mP7_10_c_mn_b_d:Na-S-Y-Zr,7.0,"Invalid WP multiplicities - AB4CD_mP7_10_b_2m2n_c_e:Na-S-Y-Zr, expected NaYZrS8 to be NaYZrS4" +mp-2715925,Na6Y4Zr4Si5S7O48,-7.7175901686,-2.8322572485,0.0822686259,0.0822686259,GGA,P1,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Y-Zr,222.0,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Y-Zr +mp-2712992,Y2Zr2SiS5O24,-7.8470021607,-2.7041656924,0.0168097962,0.0168097962,GGA,P1,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Y-Zr,102.0,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Y-Zr +mp-2716312,Na5Y3ZrSi3(SO8)3,-7.5074169008,-2.8416329726000003,0.1053482853,0.1053482853,GGA,P1,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Si-Y-Zr,117.0,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-S-Si-Y-Zr +mp-2713236,Na4Y2Zr2Si3(SO8)3,-7.6670619528,-2.8585283365,0.0990043382,0.0990043382,GGA,P1,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Y-Zr,114.0,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Y-Zr +mp-2715531,Na8Y2Zr2Si5SO24,-7.5325811863,-2.9946736882,0.053215725,0.053215725,GGA,P1,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Y-Zr,126.0,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Y-Zr +mp-2712633,NaYZrSi(SO6)2,-7.7494849481,-2.7830860962,0.0860437112,0.0860437112,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Si-Y-Zr,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Si-Y-Zr, expected NaYZrSiS3O20 to be NaYZrSi(SO6)2" +mp-2716023,Na10Y4Zr4Si7S5O48,-7.6268584099,-2.8911856716,0.1071483265,0.1071483265,GGA,P1,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Y-Zr,234.0,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Y-Zr +mp-2714641,Na3YZr3Si3(SO8)3,-7.8401252314,-2.8811257275,0.0875287108,0.0875287108,GGA,P1,A3B24C3D3EF3_aP111_1_9a_72a_9a_9a_3a_9a:Na-O-S-Si-Y-Zr,111.0,A3B24C3D3EF3_aP111_1_9a_72a_9a_9a_3a_9a:Na-O-S-Si-Y-Zr +mp-2716310,Na2Y4Zr4Si3(S3O16)3,-7.7957722442,-2.7436751214,0.0534940168,0.0534940168,GGA,P1,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Y-Zr,210.0,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Y-Zr +mp-2714786,Na14Y4Zr4Si9(SO16)3,-7.5649836755,-2.9643701256,0.0702659632,0.0702659632,GGA,P1,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Y-Zr,246.0,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Y-Zr +mp-2714324,Na3YZrSi2SO12,-7.6008623923,-2.9344074881,0.0828260227,0.0828260227,GGA,Cc,A3B12CD2EF_mC80_9_3a_12a_a_2a_a_a:Na-O-S-Si-Y-Zr,120.0,"Invalid WP multiplicities - A3B12CD2EF_mC80_9_13a_72a_a_7a_a_a:Na-O-S-Si-Y-Zr, expected Na13YZrSi7SO72 to be Na3YZrSi2SO12" +mp-1228904,AlPH8(CCl)3,-4.8929239981,-0.547155676,0.1250907522,0.1250907522,GGA,P2_1,AB3C3D8E_mP32_4_a_3a_3a_8a_a:Al-C-Cl-H-P,32.0,AB3C3D8E_mP32_4_a_3a_3a_8a_a:Al-C-Cl-H-P +mp-1197086,AlP2H18(C2Cl)3,-5.0093809303,-0.4574191774,0.0085572161,0.0085572161,GGA,Pnma,AB6C3D18E2_oP120_62_c_2c2d_cd_2c8d_2c:Al-C-Cl-H-P,120.0,AB6C3D18E2_oP120_62_c_2c2d_cd_2c8d_2c:Al-C-Cl-H-P +mp-1199681,AlSnPH18(C3Cl2)2,-4.9012897063,-0.4818168483,0.0369793907,0.0369793907,GGA,Pnma,AB6C4D18EF_oP124_62_c_2c2d_2cd_2c8d_c_c:Al-C-Cl-H-P-Sn,124.0,AB6C4D18EF_oP124_62_c_2c2d_2cd_2c8d_c_c:Al-C-Cl-H-P-Sn +mp-567609,AlSn2P(H3C)8,-4.9134447082,-0.1236455119,0.1222131372,0.1222131372,GGA,P-1,AB8C24DE2_aP72_2_i_8i_24i_i_2i:Al-C-H-P-Sn,72.0,"Invalid WP multiplicities - AB8C24DE2_aP72_2_i_15i_47i_i_3i:Al-C-H-P-Sn, expected AlSn3PH47C15 to be AlSn2P(H3C)8" +mp-1196119,AlPH9(CCl)3,-4.9436793168,-0.653972305,0.0,-0.0190950257,GGA,P2_1/m,AB3C3D9E_mP34_11_e_ef_ef_e4f_e:Al-C-Cl-H-P,34.0,AB3C3D9E_mP34_11_e_ef_ef_e4f_e:Al-C-Cl-H-P +mp-569751,AlPH8(CCl2)2,-4.6754525862000005,-0.7909423161,0.0,-0.043715497,GGA,P2_1/c,AB2C4D8E_mP128_14_2e_4e_8e_16e_2e:Al-C-Cl-H-P,128.0,"Invalid WP multiplicities - AB2C4D8E_mP128_14_6e_12e_30e_64e_6e:Al-C-Cl-H-P, expected Al3P3H32(C2Cl5)3 to be AlPH8(CCl2)2" +mp-2713100,Y2SiGe2S5O24,-7.1840850394,-2.2721116756,0.0805849357,0.0805849357,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ge-O-S-Si-Y,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Ge-O-S-Si-Y +mp-2715884,Na10Y4Si7Ge4S5O48,-7.0928547466,-2.5584472787,0.17211152,0.17211152,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ge-Na-O-S-Si-Y,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Ge-Na-O-S-Si-Y +mp-2714699,Na3YSi3Ge3(SO8)3,-6.999754182,-2.3589713896,0.1783488574,0.1783488574,GGA,P1,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Ge-Na-O-S-Si-Y,111.0,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Ge-Na-O-S-Si-Y +mp-2714398,Na3YSi2GeSO12,-7.0860074834,-2.6157862179,0.1481117774,0.1481117774,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Ge-Na-O-S-Si-Y,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Ge-Na-O-S-Si-Y, expected Na13YSi7GeSO72 to be Na3YSi2GeSO12" +mp-2713439,Na5Y3Si3Ge(SO8)3,-7.2482604237,-2.6831091308,0.1311613832,0.1311613832,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-S-Si-Y,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-S-Si-Y +mp-2712557,NaYSiGe(SO6)2,-7.1358464694,-2.3874849938,0.1861010159,0.1861010159,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Ge-Na-O-S-Si-Y,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Ge-Na-O-S-Si-Y, expected NaYSiGeS3O20 to be NaYSiGe(SO6)2" +mp-2713594,Na4Y2Si3Ge2(SO8)3,-7.1070572507,-2.5050853594,0.1761698285,0.1761698285,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ge-Na-O-S-Si-Y,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Ge-Na-O-S-Si-Y +mp-2715839,Na6Y4Si5Ge4S7O48,-7.1543011152,-2.4811126694,0.1481738475,0.1481738475,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ge-Na-O-S-Si-Y,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Ge-Na-O-S-Si-Y +mp-2716161,Na8Y2Si5Ge2SO24,-7.0559543014,-2.7049359831,0.1034558759,0.1034558759,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ge-Na-O-S-Si-Y,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Ge-Na-O-S-Si-Y +mp-2715002,Na14Y4Si9Ge4(SO16)3,-7.0749095147,-2.6657434172,0.1211583542,0.1211583542,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ge-Na-O-S-Si-Y,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Ge-Na-O-S-Si-Y +mp-2716484,Na2Y4Si3Ge4(S3O16)3,-7.1592544763,-2.3314243693,0.1532891917,0.1532891917,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ge-Na-O-S-Si-Y,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Ge-Na-O-S-Si-Y +mp-1212408,MnAl2P2(H5O4)4,-5.8785061502,-1.6228643882,0.0592894816,0.0592894816,GGA+U,P-1,A2B20CD16E2_aP82_2_aei_20i_i_16i_2i:Al-H-Mn-O-P,82.0,A2B20CD16E2_aP82_2_aei_20i_i_16i_2i:Al-H-Mn-O-P +mp-1238482,MnAl2P2(H5O4)4,-5.7646630259,-1.5090212638,0.173132606,0.173132606,GGA+U,P-1,A2B20CD16E2_aP82_2_aci_20i_i_16i_2i:Al-H-Mn-O-P,82.0,A2B20CD16E2_aP82_2_aci_20i_i_16i_2i:Al-H-Mn-O-P +mp-759189,MnAl2P2(HO)18,-6.1720393395,-1.8405945205,0.0229324032,0.0229324032,GGA+U,P-1,A2B18CD18E2_aP82_2_aei_18i_i_18i_2i:Al-H-Mn-O-P,82.0,"Invalid WP multiplicities - A2B18CD18E2_aP82_2_aei_35i_i_35i_3i:Al-H-Mn-O-P, expected MnAl2P3(HO)35 to be MnAl2P2(HO)18" +mp-504975,MnAl2P2(HO)18,-6.1724620993,-1.8410172803,0.0225096435,0.0225096435,GGA+U,P-1,A2B18CD18E2_aP41_2_ac_9i_f_9i_i:Al-H-Mn-O-P,41.0,A2B18CD18E2_aP41_2_ac_9i_f_9i_i:Al-H-Mn-O-P +mp-1225171,Mn2Al3Fe(PO7)3,-7.248872597,-1.9771676057,0.3994785258,0.3994785258,GGA+U,C2,A3BC2D21E3_mC240_5_6c_3ab_3a5b_42c_6c:Al-Fe-Mn-O-P,120.0,"Invalid WP multiplicities - A3BC2D21E3_mC240_5_12c_3ab_3a5b_81c_11c:Al-Fe-Mn-O-P, expected Mn4Al12Fe2P11O81 to be Mn2Al3Fe(PO7)3" +mp-1222576,Mn3Al4FeP4(H4O7)4,-6.86189287,-2.1229199938,0.0549562914,0.0549562914,GGA+U,C2,A4BC16D3E28F4_mC112_5_2c_a_8c_a2b_14c_2c:Al-Fe-H-Mn-O-P,56.0,"Invalid WP multiplicities - A4BC16D3E28F4_mC112_5_4c_a_16c_a2b_25c_3c:Al-Fe-H-Mn-O-P, expected Mn3Al8FeP6(H16O25)2 to be Mn3Al4FeP4(H4O7)4" +mp-1211169,MnAlPH4O7,-6.8061687286,-2.0548388152,0.141702376,0.141702376,GGA+U,Cmce,AB4CD7E_oC112_64_c_2g_e_3f2g_f:Al-H-Mn-O-P,56.0,AB4CD7E_oC112_64_c_2g_e_3f2g_f:Al-H-Mn-O-P +mp-800838,MnAlP2(HO)15,-4.7849658256000005,-0.4077476644,1.4094192177,1.4094192177,GGA+U,P-1,AB15CD15E2_aP68_2_ab_15i_i_15i_2i:Al-H-Mn-O-P,68.0,"Invalid WP multiplicities - AB15CD15E2_aP68_2_ab_29i_i_29i_3i:Al-H-Mn-O-P, expected MnAlP3(HO)29 to be MnAlP2(HO)15" +mp-554335,K2CuH12(SeO7)2,-5.3340437569,-1.357328208,0.0048282892,0.0048282892,GGA,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Cu-H-K-O-Se,62.0,"Invalid WP multiplicities - AB12C2D14E2_mP62_14_a_21e_e_22e_e:Cu-H-K-O-Se, expected K2CuH42(SeO22)2 to be K2CuH12(SeO7)2" +mp-1225031,KRbCuH12(SeO7)2,-5.3271577263,-1.3546313669,0.0082489241,0.0082489241,GGA,P2_1,AB12CD14EF2_mP62_4_a_12a_a_14a_a_2a:Cu-H-K-O-Rb-Se,62.0,AB12CD14EF2_mP62_4_a_12a_a_14a_a_2a:Cu-H-K-O-Rb-Se +mp-642811,KCu2H2(SeO5)2,-5.3463106047,-1.0784885785,0.1393146404,0.1393146404,GGA,C2/m,A2B2CD10E2_mC34_12_f_i_a_3ij_i:Cu-H-K-O-Se,17.0,A2B2CD10E2_mC34_12_e_i_a_3ij_i:Cu-H-K-O-Se +mp-707803,Cs2H4RuNCl5O3,-4.9733549653,-1.4073952264,0.016244262,0.016244262,GGA,P2_1/c,A5B2C4DE3F_mP64_14_5e_2e_4e_e_3e_e:Cl-Cs-H-N-O-Ru,64.0,A5B2C4DE3F_mP64_14_5e_2e_4e_e_3e_e:Cl-Cs-H-N-O-Ru +mp-1029960,CsRuN2,-6.7443333525,-0.033634662,0.2451161302,0.2451161302,GGA,I4_1/amd,AB2C_tI16_141_b_c_a:Cs-N-Ru,40.0,AB2C_tI16_141_b_c_a:Cs-N-Ru +mp-1118911,CsRuN2,-6.7479505346,-0.0372518441,0.241498948,0.241498948,GGA,Fd-3m,AB2C_cF32_227_b_c_a:Cs-N-Ru,80.0,AB2C_tI16_141_b_c_a:Cs-N-Ru +mp-1349635,CsRuN2,-6.7532475863,-0.0425488957,0.2362018964,0.2362018964,GGA,Fd-3m,AB2C_cF32_227_b_c_a:Cs-N-Ru,8.0,AB2C_cF32_227_b_c_a:Cs-N-Ru +mp-24110,CsH18RuN6(ClO2)4,-5.1387905408,-0.7118037092,0.3737436026,0.3737436026,GGA,R-3,A4BC18D6E8F_hR114_148_2c_a_3f_f_cf_b:Cl-Cs-H-N-O-Ru,38.0,"Invalid WP multiplicities - A4BC18D6E8F_hR114_148_2c_a_7f_f_2c2f_b:Cl-Cs-H-N-O-Ru, expected CsH42RuN6(ClO4)4 to be CsH18RuN6(ClO2)4" +mp-1412190,Mg2CoN2,-5.9324084280000005,-0.536034879,0.0814122795,0.0814122795,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-Mg-N,10.0,AB2C2_mC20_12_i_2i_2i:Co-Mg-N +mp-1026855,KBaMg14,-1.4539591288,0.1356217829,0.1749222266,0.1749222266,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ba-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ba-K-Mg, expected KBaMg18 to be KBaMg14" +mp-1026849,KBaMg14,-1.4556648144,0.1339160973,0.173216541,0.173216541,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ba-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ba-K-Mg, expected KBaMg26 to be KBaMg14" +mp-1246669,MgCoN2,-6.6247994719,-0.2794025481,0.1306725055,0.1306725055,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Co-Mg-N,16.0,ABC2_oP16_33_a_a_2a:Co-Mg-N +mp-18823,K2BaCo(NO2)6,-6.7006822695,-1.2176220553,0.1239108018,0.1239108018,GGA+U,Fmmm,ABC2D6E12_oF88_69_a_b_f_ghi_mno:Ba-Co-K-N-O,22.0,ABC2D6E12_oF88_69_a_b_f_ghi_mno:Ba-Co-K-N-O +mp-20701,K2BaCo(NO2)6,-6.6843918559,-1.2013316416,0.1402012155,0.1402012155,GGA+U,Fm-3,ABC2D6E12_cF88_202_a_b_c_e_h:Ba-Co-K-N-O,22.0,ABC2D6E12_cF88_202_a_b_c_e_h:Ba-Co-K-N-O +mp-734925,Ba3Co2(NO2)12,-6.9353556055,-1.1126232011,0.1756975853,0.1756975853,GGA+U,Pn-3m,A3B2C12D24_cP82_224_d_b_k_l:Ba-Co-N-O,82.0,A3B2C12D24_cP82_224_d_b_k_l:Ba-Co-N-O +mp-1245705,MgCoN,-5.9580500933,-0.2763525033,0.2387961293,0.2387961293,GGA,Pnma,ABC_oP12_62_c_c_c:Co-Mg-N,12.0,ABC_oP12_62_c_c_c:Co-Mg-N +mp-1247554,MgCo5N4,-7.0814100595,-0.032625187,0.1677114481,0.1677114481,GGA,Pmmn,A5BC4_oP20_59_ag_b_ef:Co-Mg-N,20.0,A5BC4_oP20_59_ag_b_ef:Co-Mg-N +mp-1234733,Mg(CoN)2,-6.585816644,-0.087835546,0.2515379303,0.2515379303,GGA,P1,A2BC2_aP5_1_2a_a_2a:Co-Mg-N,5.0,A2BC2_aP5_1_2a_a_2a:Co-Mg-N +mp-1434308,Mg(CoN)2,-6.494159432,0.003821666,0.3431951423,0.3431951423,GGA,P-4m2,A2BC2_tP5_115_e_b_g:Co-Mg-N,5.0,A2BC2_tP5_115_e_b_g:Co-Mg-N +mp-1233485,K2BaMgCo(NO2)6,-6.4722099865,-1.1579663011,0.3204624673,0.3204624673,GGA+U,Cm,ABC2DE6F12_mC46_8_a_a_b_a_4ab_4a4b:Ba-Co-K-Mg-N-O,23.0,"Invalid WP multiplicities - ABC2DE6F12_mC46_8_a_a_b_a_4ab_4a5b:Ba-Co-K-Mg-N-O, expected K2BaMgCo(N3O7)2 to be K2BaMgCo(NO2)6" +mp-1233039,K2BaMgCo(NO2)6,-6.3891429591,-1.0748992737,0.4035294946,0.4035294946,GGA+U,Fmm2,ABC2DE6F12_oF92_42_a_a_b_a_2acd_2c2de:Ba-Co-K-Mg-N-O,23.0,"Invalid WP multiplicities - ABC2DE6F12_oF92_42_a_a_b_a_2acd_3c3de:Ba-Co-K-Mg-N-O, expected K2BaMgCo(N3O8)2 to be K2BaMgCo(NO2)6" +mp-1247468,Mg5CoN4,-5.397505035,-0.5519352605,0.2045487391,0.2045487391,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Co-Mg-N,20.0,AB5C4_oP20_59_a_bg_ef:Co-Mg-N +mp-1245693,KMgN,-3.9174377525,-0.2350464452,0.3243673633,0.3243673633,GGA,Pnma,ABC_oP12_62_c_c_c:K-Mg-N,12.0,ABC_oP12_62_c_c_c:K-Mg-N +mp-1246308,KMgN,-3.8942025533,-0.211811246,0.3476025625,0.3476025625,GGA,P-6m2,ABC_hP3_187_b_c_e:K-Mg-N,3.0,ABC_hP3_187_b_c_e:K-Mg-N +mp-1021299,KBaMg6,-1.3872398125,0.1916419609,0.2468800496,0.2468800496,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ba-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ba-K-Mg, expected KBaMg12 to be KBaMg6" +mp-1021345,KBaMg6,-1.4201012288,0.1587805446,0.2140186333,0.2140186333,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ba-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ba-K-Mg, expected KBaMg12 to be KBaMg6" +mp-2713903,YGa(SO4)3,-7.0522723878,-2.2720264307,0.0276824624,0.0276824624,GGA,P321,AB12C3D_hP102_150_3d_12g_ef2g_2cd:Ga-O-S-Y,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_5d_20g_ef4g_3cd:Ga-O-S-Y, expected Y4Ga5(SO4)15 to be YGa(SO4)3" +mp-1189598,Y3GaS6,-6.757731726,-2.0331108696,0.0,-0.010010937,GGA,Cmc2_1,AB6C3_oC40_36_a_2a2b_ab:Ga-S-Y,20.0,AB6C3_oC40_36_a_2a2b_ab:Ga-S-Y +mp-2714220,Na2Y4Ga4SiS11O48,-7.0215665933,-2.3217002528,0.0720273623,0.0720273623,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ga-Na-O-S-Si-Y,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ga-Na-O-S-Si-Y +mp-2715817,Na14Y4Ga4Si7S5O48,-6.9108367638,-2.610908028,0.1246290103,0.1246290103,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ga-Na-O-S-Si-Y,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ga-Na-O-S-Si-Y +mp-1216508,Y9Ga5S21,-6.4233454514,-1.8460835275,0.0343370493,0.0343370493,GGA,R3,A5B21C9_hR210_146_4a2b_14b_6b:Ga-S-Y,70.0,"Invalid WP multiplicities - A5B21C9_hR210_146_4a2b_34b_16b:Ga-S-Y, expected Y24Ga5S51 to be Y9Ga5S21" +mp-2715585,Na2Y2Ga2SiS5O24,-7.0010850592,-2.377132801,0.0980744495,0.0980744495,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ga-Na-O-S-Si-Y,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ga-Na-O-S-Si-Y +mp-2713848,Na6Y4Ga4Si3(S3O16)3,-6.9974276012,-2.4452859615,0.105217095,0.105217095,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ga-Na-O-S-Si-Y,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ga-Na-O-S-Si-Y +mp-2713614,Na2YGaSi(SO6)2,-6.9753739061,-2.4912633787000003,0.1123091561,0.1123091561,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-S-Si-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-S-Si-Y +mp-2716266,Na6Y2Ga2Si3(SO8)3,-6.9314041591,-2.5731511893,0.1285998806,0.1285998806,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ga-Na-O-S-Si-Y,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ga-Na-O-S-Si-Y +mp-2714617,Na4YGaSi2SO12,-6.8865364097,-2.6421545634,0.1182734471,0.1182734471,GGA,P1,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:Ga-Na-O-S-Si-Y,126.0,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:Ga-Na-O-S-Si-Y +mp-2715204,Na10Y4Ga4Si5S7O48,-6.9488620014,-2.5292938112,0.1246266903,0.1246266903,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ga-Na-O-S-Si-Y,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ga-Na-O-S-Si-Y +mp-1203580,Na4Ga3Ge3B(HO3)4,-5.8461415213,-1.8515476957,0.0595504978,0.0595504978,GGA,P-43n,AB3C3D4E4F12_cP54_218_a_c_d_e_e_i:B-Ga-Ge-H-Na-O,54.0,AB3C3D4E4F12_cP54_218_a_c_d_e_e_i:B-Ga-Ge-H-Na-O +mp-1202129,Y11(In3Si2)2,-5.8266074483,-0.6198190318,0.0,-0.0118196885,GGA,I4/mmm,A6B4C11_tI84_139_hm_dei_eh2n:In-Si-Y,42.0,A6B4C11_tI84_139_hm_dei_eh2n:In-Si-Y +mp-2713725,YIn(SO4)3,-7.0407722031,-2.2767857926,0.0132661494,0.0132661494,GGA,P321,AB12C3D_hP102_150_2cd_12g_ef2g_3d:In-O-S-Y,102.0,"Invalid WP multiplicities - AB12C3D_hP102_150_3cd_20g_ef4g_5d:In-O-S-Y, expected Y5In4(SO4)15 to be YIn(SO4)3" +mp-2716229,Na6Y2In2Si3(SO8)3,-6.8986132843,-2.5541809291,0.1135784812,0.1135784812,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:In-Na-O-S-Si-Y,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:In-Na-O-S-Si-Y +mp-2714095,Na2Y4In4SiS11O48,-7.015445719,-2.3313743666,0.0375063835,0.0375063835,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:In-Na-O-S-Si-Y,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:In-Na-O-S-Si-Y +mp-2714566,Na4YInSi2SO12,-6.8580748026,-2.6268554465,0.0910627898,0.0910627898,GGA,P1,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:In-Na-O-S-Si-Y,126.0,AB4C12DE2F_aP126_1_6a_24a_72a_6a_12a_6a:In-Na-O-S-Si-Y +mp-635327,NaY2In,-4.0436934775,0.208094335,0.4982078834,0.4982078834,GGA,Fm-3m,ABC2_cF16_225_a_b_c:In-Na-Y,4.0,ABC2_cF16_225_a_b_c:In-Na-Y +mp-2715780,Na14Y4In4Si7S5O48,-6.8820691147,-2.5956239054,0.0993075465,0.0993075465,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:In-Na-O-S-Si-Y,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:In-Na-O-S-Si-Y +mp-2713895,Na6Y4In4Si3(S3O16)3,-6.9672056126,-2.4300051779,0.0837501386,0.0837501386,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:In-Na-O-S-Si-Y,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:In-Na-O-S-Si-Y +mp-2715165,Na10Y4In4Si5S7O48,-6.9256610406,-2.5202678397,0.0987894213,0.0987894213,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:In-Na-O-S-Si-Y,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:In-Na-O-S-Si-Y +mp-2714359,Na2Y2In2SiS5O24,-6.9946467563,-2.3860507366,0.0572794434,0.0572794434,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:In-Na-O-S-Si-Y,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:In-Na-O-S-Si-Y +mp-2713562,Na2YInSi(SO6)2,-6.9516293383,-2.4820668263,0.0857250143,0.0857250143,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-S-Si-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-S-Si-Y +mp-1097685,NaYIn2,-1.8111848325,1.5119061342,1.8597941464,1.8597941464,GGA,Immm,A2BC_oI8_71_e_a_b:In-Na-Y,4.0,A2BC_oI8_71_e_a_b:In-Na-Y +mp-1210571,Na2Cd3P4NClO14,-6.2804368888,-2.0202127514,0.255547434,0.255547434,GGA,C2/c,A3BCD2E14F4_mC100_15_ef_e_a_f_7f_2f:Cd-Cl-N-Na-O-P,50.0,A3BCD2E14F4_mC100_15_ef_e_a_f_7f_2f:Cd-Cl-N-Na-O-P +mp-1221989,Na4Cd7(N5O6)6,-6.3521602518,-0.6388359551,0.2407889823,0.2407889823,GGA,R3m,A7B30C4D36_hR231_160_a2b_8bc_ab_6b3c:Cd-N-Na-O,77.0,"Invalid WP multiplicities - A7B30C4D36_hR231_160_a2b_11bc_ab_15b3c:Cd-N-Na-O, expected Na4Cd7(N13O21)3 to be Na4Cd7(N5O6)6" +mp-1180247,NaCdP2NO10,-5.7994365663,-1.0744097594,0.8476202450000001,0.8476202450000001,GGA,Cc,ABCD10E2_mC60_9_a_a_a_10a_2a:Cd-N-Na-O-P,30.0,ABCD10E2_mC60_9_a_a_a_10a_2a:Cd-N-Na-O-P +mp-1246218,NaCdN,-3.3273566417,0.1999466845,0.4010172092,0.4010172092,GGA,Cmc2_1,ABC_oC12_36_a_a_a:Cd-N-Na,6.0,ABC_oC12_36_a_a_a:Cd-N-Na +mp-1246953,NaCdN,-3.3150232567,0.2122800695,0.4133505942,0.4133505942,GGA,Pnma,ABC_oP12_62_c_c_c:Cd-N-Na,12.0,ABC_oP12_62_c_c_c:Cd-N-Na +mp-1245735,NaCdN,-3.3020714867,0.2252318395,0.4263023642,0.4263023642,GGA,P-6m2,ABC_hP3_187_c_a_b:Cd-N-Na,3.0,ABC_hP3_187_c_a_b:Cd-N-Na +mp-2714765,Na5Ca2La2P3(SO8)3,-7.0649156409,-2.7606688042,0.0703086352,0.0703086352,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-La-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-La-Na-O-P-S +mp-2714135,Na7CaLa3(PO4)6,-7.3171062098,-2.9934076156,0.0588907829,0.0588907829,GGA,P1,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-La-Na-O-P,123.0,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-La-Na-O-P +mp-2715090,Na4CaLa(PO4)3,-7.1157515491,-2.9332810628,0.0516887868,0.0516887868,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Ca-La-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Ca-La-Na-O-P, expected Na4CaLa(PO12)3 to be Na4CaLa(PO4)3" +mp-2713460,Na2CaLaP(SO6)2,-7.0424828929,-2.6933710851,0.0721673612,0.0721673612,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Ca-La-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Ca-La-Na-O-P-S, expected Na2CaLaPS3O20 to be Na2CaLaP(SO6)2" +mp-2713650,Na3Ca2La2PS5O24,-7.026471595,-2.6300696826000003,0.0481897679,0.0481897679,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-La-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-La-Na-O-P-S +mp-2712662,Na3CaLaP2SO12,-7.0890825676,-2.8274574536,0.0604392218,0.0604392218,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ca-La-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Ca-La-Na-O-P-S, expected Na8CaLaP7SO60 to be Na3CaLaP2SO12" +mp-2716032,Na7Ca2La2P5SO24,-7.1089046275,-2.8878221276,0.049794954,0.049794954,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-La-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-La-Na-O-P-S +mp-693753,BaNa5Ca7P6(O8F)3,-7.1112375509,-3.2089422991,0.0,-0.0015662869,GGA,P1,AB7C3D5E24F6_aP92_1_2a_14a_6a_10a_48a_12a:Ba-Ca-F-Na-O-P,92.0,AB7C3D5E24F6_aP92_1_2a_14a_6a_10a_48a_12a:Ba-Ca-F-Na-O-P +mp-1200272,LiYbSi6H54(C6N)3,-5.2378831988,-0.2941107964,0.0465947937,0.0465947937,GGA,P-1,A18B54CD3E6F_aP166_2_18i_54i_i_3i_6i_i:C-H-Li-N-Si-Yb,,A18B54CD3E6F_aP166_2_18i_54i_i_3i_6i_i:C-H-Li-N-Si-Yb +mp-866191,Li2YbSi,-2.99765323,-0.3019602192,0.0,-0.0073344905,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Li-Si-Yb,,A2BC_cF16_225_c_a_b:Li-Si-Yb +mp-1201952,LiYb(CN2)2,-7.5644700769,-0.6579898479,0.0,-0.0016948472,GGA,Pbcn,A2BC4D_oP32_60_d_c_2d_c:C-Li-N-Yb,,A2BC4D_oP32_60_d_c_2d_c:C-Li-N-Yb +mp-1204093,InH12C4Se2Cl3,-4.6614356701,-0.4379587985,0.0057070511,0.0057070511,GGA,Pbca,A4B3C12DE2_oP176_61_4c_3c_12c_c_2c:C-Cl-H-In-Se,176.0,A4B3C12DE2_oP176_61_4c_3c_12c_c_2c:C-Cl-H-In-Se +mp-1198762,InSeClO3,-5.3708056162,-1.5481059493,0.0,-0.0437682857,GGA,Pbca,ABC3D_oP48_61_c_c_3c_c:Cl-In-O-Se,48.0,ABC3D_oP48_61_c_c_3c_c:Cl-In-O-Se +mp-1201000,InH10C2SeCl3O2,-4.7165970977,-0.8181142532,0.0221330201,0.0221330201,GGA,Pbca,A2B3C10DE2F_oP152_61_2c_3c_10c_c_2c_c:C-Cl-H-In-O-Se,152.0,A2B3C10DE2F_oP152_61_2c_3c_10c_c_2c_c:C-Cl-H-In-O-Se +mp-1192992,InH4CSeO7,-5.9929984521,-1.4448566051,0.046312912,0.046312912,GGA,P-1,AB4CD7E_aP28_2_i_4i_i_7i_i:C-H-In-O-Se,28.0,AB4CD7E_aP28_2_i_4i_i_7i_i:C-H-In-O-Se +mp-1193213,Cs2Hg2H2I4Br2O,-2.9826381704,-1.2034206061,0.0190468067,0.0190468067,GGA,Pc,A2B2C2D2E4F_mP26_7_2a_2a_2a_2a_4a_a:Br-Cs-H-Hg-I-O,26.0,A2B2C2D2E4F_mP26_7_2a_2a_2a_2a_4a_a:Br-Cs-H-Hg-I-O +mp-1105928,Cs2Hg3H2I8O,-2.6649816494,-1.0261743094,0.0114881939,0.0114881939,GGA,Cm,A2B2C3D8E_mC32_8_b_2a_ab_2a3b_a:Cs-H-Hg-I-O,16.0,A2B2C3D8E_mC32_8_b_2a_ab_2a3b_a:Cs-H-Hg-I-O +mp-1104408,Cs2Hg3I8O,-1.9152997964,-0.5270522714,0.4615988407,0.4615988407,GGA,Cm,A2B3C8D_mC28_8_b_ab_2a3b_a:Cs-Hg-I-O,14.0,A2B3C8D_mC28_8_b_ab_2a3b_a:Cs-Hg-I-O +mp-1035116,Mg14CoSnO16,-6.2704932038,-2.7495922747,0.1255145848,0.1255145848,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Co-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Co-Mg-O-Sn, expected Mg18CoSnO20 to be Mg14CoSnO16" +mp-1035080,Mg14CoSnO16,-6.2695433241,-2.748642395,0.1264644645,0.1264644645,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Co-Mg-O-Sn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Co-Mg-O-Sn, expected Mg30CoSnO32 to be Mg14CoSnO16" +mp-2222807,MgVSnO4,-7.07680006,-2.1510125143,0.3296554195,0.3296554195,GGA+U,Cm,AB4CD_mC14_8_a_2ab_a_a:Mg-O-Sn-V,7.0,"Invalid WP multiplicities - AB4CD_mC14_8_a_2a2b_a_a:Mg-O-Sn-V, expected MgVSnO6 to be MgVSnO4" +mp-2240244,MgVSnO4,-7.1638676186,-2.2380800729,0.2425878609,0.2425878609,GGA+U,P2/m,AB4CD_mP7_10_a_mn_e_c:Mg-O-Sn-V,7.0,"Invalid WP multiplicities - AB4CD_mP7_10_c_2m2n_e_a:Mg-O-Sn-V, expected MgVSnO8 to be MgVSnO4" +mp-2222889,MgVSnO4,-7.0168262357,-2.09103869,0.3896292438,0.3896292438,GGA+U,Amm2,AB4CD_oC14_38_a_2bd_a_b:Mg-O-Sn-V,7.0,"Invalid WP multiplicities - AB4CD_oC14_38_a_2b2d_a_b:Mg-O-Sn-V, expected MgVSnO6 to be MgVSnO4" +mp-1021709,Mg6VSn,-2.750444195,0.0864505831,0.1702876912,0.1702876912,GGA,Amm2,A6BC_oC16_38_2bde_a_a:Mg-Sn-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_4b2d2e_a_a:Mg-Sn-V, expected Mg12VSn to be Mg6VSn" +mp-1021712,Mg6VSn,-2.7579302388,0.0789645394,0.1628016475,0.1628016475,GGA,Amm2,A6BC_oC16_38_abde_a_b:Mg-Sn-V,16.0,"Invalid WP multiplicities - A6BC_oC16_38_2a2b2d2e_a_b:Mg-Sn-V, expected Mg12VSn to be Mg6VSn" +mp-2231056,MgCo5SnO12,-6.6516210389,-1.3615312803,0.1644314458,0.1644314458,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sn,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sn +mp-2230615,MgCo5SnO12,-6.6423019047,-1.3522121461,0.17375058,0.17375058,GGA+U,P1,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sn,19.0,A5BC12D_aP19_1_5a_a_12a_a:Co-Mg-O-Sn +mp-2231764,MgCo5SnO12,-6.6353295126,-1.3452397539,0.1807229721,0.1807229721,GGA+U,Cm,A5BC12D_mC38_8_a2b_a_4a4b_a:Co-Mg-O-Sn,19.0,"Invalid WP multiplicities - A5BC12D_mC38_8_a3b_a_4a7b_a:Co-Mg-O-Sn, expected MgCo7SnO18 to be MgCo5SnO12" +mp-1036771,Mg30VSnO32,-6.3533405673,-2.9252793457,0.0636609246,0.0636609246,GGA+U,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Sn-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Sn-V, expected Mg90VSnO80 to be Mg30VSnO32" +mp-1036763,Mg30VSnO32,-6.3557924786,-2.927731257,0.0612090133,0.0612090133,GGA+U,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Sn-V,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Sn-V, expected Mg110VSnO72 to be Mg30VSnO32" +mp-1031684,Mg6VSnO8,-6.4194572369,-2.5276654922,0.2659746908,0.2659746908,GGA+U,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Sn-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Sn-V, expected Mg6VSnO12 to be Mg6VSnO8" +mp-1031691,Mg6VSnO8,-6.4353238363,-2.5435320916,0.2501080915,0.2501080915,GGA+U,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Sn-V,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Sn-V, expected Mg6VSnO12 to be Mg6VSnO8" +mp-1034572,Mg14VSnO16,-6.3712788575,-2.7886407948,0.1351994464,0.1351994464,GGA+U,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Sn-V,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Sn-V, expected Mg18VSnO20 to be Mg14VSnO16" +mp-1034549,Mg14VSnO16,-6.3764148391,-2.7937767764,0.1300634648,0.1300634648,GGA+U,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Sn-V,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Sn-V, expected Mg30VSnO32 to be Mg14VSnO16" +mp-1233845,MgV3CoSn2(PO4)6,-7.7373589035,-2.4622290691,0.1269085689,0.1269085689,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234340,MgV3CoSn2(PO4)6,-7.7095157935,-2.4343859591,0.1547516789,0.1547516789,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234372,MgV3CoSn2(PO4)6,-7.797426967,-2.5222971326,0.0668405053,0.0668405053,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234391,MgV3CoSn2(PO4)6,-7.8113663741,-2.5362365396,0.0529010983,0.0529010983,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234442,MgV3CoSn2(PO4)6,-7.6788651862,-2.4037353518,0.1854022862,0.1854022862,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234587,MgV3CoSn2(PO4)6,-7.81006956,-2.5349397255,0.0541979124,0.0541979124,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234654,MgV3CoSn2(PO4)6,-7.655890587,-2.3807607526,0.2083768853,0.2083768853,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1234893,MgV3CoSn2(PO4)6,-7.7911250651,-2.5159952307,0.0731424072,0.0731424072,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-2216298,MgV3CoSn2(PO4)6,-7.7599952481,-2.4848654136,0.1042722243,0.1042722243,GGA+U,P1,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V,37.0,ABC24D6E2F3_aP37_1_a_a_24a_6a_2a_3a:Co-Mg-O-P-Sn-V +mp-1032294,Mg6CoSnO8,-6.2118962488000005,-2.4435787713,0.2525946484,0.2525946484,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Co-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Co-Mg-O-Sn, expected Mg6CoSnO12 to be Mg6CoSnO8" +mp-1032342,Mg6CoSnO8,-6.2410485525,-2.472731075,0.2234423447,0.2234423447,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Co-Mg-O-Sn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Co-Mg-O-Sn, expected Mg6CoSnO12 to be Mg6CoSnO8" +mp-2214978,V3CoSn2(PO4)6,-7.8177091164,-2.4405001213,0.0991103395,0.0991103395,GGA+U,P1,AB24C6D2E3_aP36_1_a_24a_6a_2a_3a:Co-O-P-Sn-V,36.0,AB24C6D2E3_aP36_1_a_24a_6a_2a_3a:Co-O-P-Sn-V +mp-774765,V3CoSn2(PO4)6,-7.8329390706,-2.4557300754,0.0838803853,0.0838803853,GGA+U,R3,AB24C6D2E3_hR108_146_a_8b_2b_2a_3a:Co-O-P-Sn-V,36.0,"Invalid WP multiplicities - AB24C6D2E3_hR108_146_a_20b_2b_2a_3a:Co-O-P-Sn-V, expected V3CoSn2(PO10)6 to be V3CoSn2(PO4)6" +mp-2218285,MgV3SnO8,-7.95936139,-2.3874321742,0.1418126462,0.1418126462,GGA+U,P1,AB8CD3_aP13_1_a_8a_a_3a:Mg-O-Sn-V,13.0,AB8CD3_aP13_1_a_8a_a_3a:Mg-O-Sn-V +mp-2218428,MgV3SnO8,-7.9393491846,-2.3674199688,0.1618248516,0.1618248516,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V +mp-2218593,MgV3SnO8,-7.9568900777,-2.3849608619,0.1442839586,0.1442839586,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V +mp-2218783,MgV3SnO8,-7.9145633562,-2.3426341404,0.1866106801,0.1866106801,GGA+U,Cm,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V,13.0,AB8CD3_mC26_8_a_8a_a_3a:Mg-O-Sn-V +mp-2233116,MgV4SnO12,-7.9470265244,-2.3189298178,0.1308822845,0.1308822845,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Mg-O-Sn-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Mg-O-Sn-V, expected MgV8SnO24 to be MgV4SnO12" +mp-2232687,MgV4SnO12,-7.8502957217,-2.222199015,0.2276130873,0.2276130873,GGA+U,C2,AB12CD4_mC36_5_a_6c_b_2c:Mg-O-Sn-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_b_4c:Mg-O-Sn-V, expected MgV8SnO24 to be MgV4SnO12" +mp-2233097,MgV4SnO12,-7.9564608111,-2.3283641044,0.1214479978,0.1214479978,GGA+U,C2,AB12CD4_mC36_5_a_6c_a_2c:Mg-O-Sn-V,18.0,"Invalid WP multiplicities - AB12CD4_mC36_5_a_12c_a_4c:Mg-O-Sn-V, expected MgV8SnO24 to be MgV4SnO12" +mp-1037258,Mg30CoSnO32,-6.2838350502,-2.8866423953,0.0779311841,0.0779311841,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Co-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Co-Mg-O-Sn, expected Mg110CoSnO72 to be Mg30CoSnO32" +mp-1037255,Mg30CoSnO32,-6.2972638709,-2.9000712161,0.0645023634,0.0645023634,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Co-Mg-O-Sn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Co-Mg-O-Sn, expected Mg90CoSnO80 to be Mg30CoSnO32" +mp-1028328,Mg14VSn,-2.1752779888,0.0433094253,0.0988555543,0.0988555543,GGA,Amm2,A14BC_oC32_38_2b2cdef_a_a:Mg-Sn-V,16.0,"Invalid WP multiplicities - A14BC_oC32_38_2b2c2d2ef_a_a:Mg-Sn-V, expected Mg18VSn to be Mg14VSn" +mp-1028321,Mg14VSn,-2.1725252362,0.0460621778,0.1016083068,0.1016083068,GGA,P-6m2,A14BC_hP16_187_hjkn_a_b:Mg-Sn-V,16.0,"Invalid WP multiplicities - A14BC_hP16_187_h3j3kn_a_b:Mg-Sn-V, expected Mg26VSn to be Mg14VSn" +mp-1189158,Rb3Ru2N(Cl4O)2,-4.7231785513,-1.3163927434,0.1443971489,0.1443971489,GGA,C2/m,A8BC2D3E2_mC32_12_2j_a_i_bi_i:Cl-N-O-Rb-Ru,16.0,A8BC2D3E2_mC32_12_2j_a_i_bi_i:Cl-N-O-Rb-Ru +mp-1029922,RbRuN2,-6.7732338011,-0.0412521855,0.2336087641,0.2336087641,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Rb-Ru,64.0,A2BC_oP64_61_4c_2c_2c:N-Rb-Ru +mp-1204833,Rb2RuNCl5O3,-4.645454615,-1.0075616947,0.3168618208,0.3168618208,GGA,P2_1/c,A5BC3D2E_mP48_14_5e_e_3e_2e_e:Cl-N-O-Rb-Ru,48.0,A5BC3D2E_mP48_14_5e_e_3e_2e_e:Cl-N-O-Rb-Ru +mp-24680,RbH18RuN6(ClO2)4,-5.1378158471,-0.7085887076,0.3685838219,0.3685838219,GGA,R-3,A4B18C6D8EF_hR114_148_2c_3f_f_cf_a_b:Cl-H-N-O-Rb-Ru,38.0,"Invalid WP multiplicities - A4B18C6D8EF_hR114_148_2c_7f_f_2c2f_a_b:Cl-H-N-O-Rb-Ru, expected RbH42RuN6(ClO4)4 to be RbH18RuN6(ClO2)4" +mp-1196364,RbH18RuN6(ClO2)4,-5.133283795,-0.7040566555000001,0.373115874,0.373115874,GGA,R-3m,A4B18C6D8EF_hR114_166_2c_hi_h_ch_a_b:Cl-H-N-O-Rb-Ru,38.0,A4B18C6D8EF_hR114_166_2c_hi_h_ch_a_b:Cl-H-N-O-Rb-Ru +mp-1210619,Na3Nd(PO4)2,-7.1624389518000005,-2.9384505221,0.0,-0.0159391704,GGA,Pca2_1,A3BC8D2_oP112_29_6a_2a_16a_4a:Na-Nd-O-P,112.0,A3BC8D2_oP112_29_6a_2a_16a_4a:Na-Nd-O-P +mp-35986,Ba4Nd3F17,-6.5879853319,-4.3181734775,0.0063515663,0.0063515663,GGA,P1,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Nd,48.0,A4B17C3_aP48_1_8a_34a_6a:Ba-F-Nd +mp-12226,NaNd(PO3)4,-7.7436204017,-2.9045011079,0.0,-0.0121046035,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Na-Nd-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_15e_4e:Na-Nd-O-P, expected NaNdP4O15 to be NaNd(PO3)4" +mp-720230,Ba4Na3Nd3P6(O12F)2,-7.5958827536,-3.2870441826,0.0063380935,0.0063380935,GGA,P1,A4B2C3D3E24F6_aP84_1_8a_4a_6a_6a_48a_12a:Ba-F-Na-Nd-O-P,84.0,A4B2C3D3E24F6_aP84_1_8a_4a_6a_6a_48a_12a:Ba-F-Na-Nd-O-P +mp-1173847,Na4Al3Si3NO14,-6.7720393958,-2.3563226103,0.5015792159,0.5015792159,GGA,P1,A3BC4D14E3_aP50_1_6a_2a_8a_28a_6a:Al-N-Na-O-Si,50.0,A3BC4D14E3_aP50_1_6a_2a_8a_28a_6a:Al-N-Na-O-Si +mp-1173714,Na4Al3Si3NO14,-7.2727139002,-2.8569971147,0.0009047115,0.0009047115,GGA,P2,A3BC4D14E3_mP50_3_2a2e_bc_4e_14e_2d2e:Al-N-Na-O-Si,50.0,A3BC4D14E3_mP50_3_2a2e_bd_4e_14e_2c2e:Al-N-Na-O-Si +mp-1210341,Na4Al3Si3NO12,-7.1344626387,-2.7649173251,0.1647711001,0.1647711001,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-N-Na-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-N-Na-O-Si +mp-1173748,Na4Al3Si3NO15,-6.8637040429,-2.4275652603,0.3804126319,0.3804126319,GGA,P1,A3BC4D15E3_aP52_1_6a_2a_8a_30a_6a:Al-N-Na-O-Si,52.0,A3BC4D15E3_aP52_1_6a_2a_8a_30a_6a:Al-N-Na-O-Si +mp-1173811,Na4Al3Si3NO15,-6.7097286233,-2.2735898407,0.5343880515,0.5343880515,GGA,P1,A3BC4D15E3_aP52_1_6a_2a_8a_30a_6a:Al-N-Na-O-Si,52.0,A3BC4D15E3_aP52_1_6a_2a_8a_30a_6a:Al-N-Na-O-Si +mp-1227998,AlSiCN,-7.5412175525,-0.8572039831,0.036882619,0.036882619,GGA,P3m1,ABCD_hP4_156_a_a_b_b:Al-C-N-Si,4.0,ABCD_hP4_156_a_a_b_b:Al-C-N-Si +mp-1228997,Al9SiC7N,-6.3407871444,-0.114528596,0.1551484426,0.1551484426,GGA,P3m1,A9B7CD_hP18_156_2a3b4c_2ab4c_b_a:Al-C-N-Si,18.0,A9B7CD_hP18_156_2a3b4c_2ab4c_b_a:Al-C-N-Si +mp-676449,Na4Al3Si3NO13,-7.1894983442,-2.795905389,0.1160806993,0.1160806993,GGA,Pm,A3BC4D13E3_mP48_6_2a2bc_ab_4c_5a5b8c_2a2bc:Al-N-Na-O-Si,48.0,"Invalid WP multiplicities - A3BC4D13E3_mP48_6_2a2bc_ab_4c_5a5b12c_2a2bc:Al-N-Na-O-Si, expected Na4Al3Si3NO17 to be Na4Al3Si3NO13" +mp-1203545,Na2Al3Si3NO13,-7.1530942672,-2.4803133427,0.4570993949,0.4570993949,GGA,Pna2_1,A3BC2D13E3_oP88_33_3a_a_2a_13a_3a:Al-N-Na-O-Si,88.0,A3BC2D13E3_oP88_33_3a_a_2a_13a_3a:Al-N-Na-O-Si +mp-1173717,Na4Al3Si3CNO13,-7.4347433854,-2.8477475287000003,0.0,-0.0039104953,GGA,Ccc2,A3BCD4E13F3_oC100_37_ad_c_c_2d_c6d_bd:Al-C-N-Na-O-Si,50.0,"Invalid WP multiplicities - A3BCD4E13F3_oC100_37_2a3d_c_c_4d_2c12d_2b3d:Al-C-N-Na-O-Si, expected Na8Al8Si8CNO26 to be Na4Al3Si3CNO13" +mp-1198111,Al2Si2CNO10,-7.3583976663,-2.0225329631,0.6867661626,0.6867661626,GGA,Cc,A2BCD10E2_mC64_9_2a_a_a_10a_2a:Al-C-N-O-Si,32.0,A2BCD10E2_mC64_9_2a_a_a_10a_2a:Al-C-N-O-Si +mp-2712723,Na3Ca3SnPS5O24,-6.700469571,-2.4083066443,0.0458899851,0.0458899851,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Sn,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Sn +mp-2714604,NaCaSnP(SO6)2,-6.7919241513,-2.3261372733,0.0723369205,0.0723369205,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Ca-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Ca-Na-O-P-S-Sn, expected NaCaSnPS3O20 to be NaCaSnP(SO6)2" +mp-2716080,Na7Ca3SnP5SO24,-6.8284300567,-2.7014168855,0.0415393091,0.0415393091,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Sn,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Sn +mp-2713327,Na2CaSnP2SO12,-6.876953143,-2.5093983147,0.0815415118,0.0815415118,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Ca-Na-O-P-S-Sn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Ca-Na-O-P-S-Sn, expected Na2CaSnP7SO60 to be Na2CaSnP2SO12" +mp-2713939,Na3Ca2Sn2P3(SO8)3,-6.8696380503,-2.4542946573,0.0620492731,0.0620492731,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Sn,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Sn +mp-2716453,NaCaSn3P3(SO8)3,-6.9488348357,-2.2995026377,0.0346773267,0.0346773267,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Sn,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Sn +mp-2712669,Na2CaSn3P4(SO12)2,-7.0095496281,-2.4171606041,0.0478062033,0.0478062033,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Sn,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Sn +mp-2712695,Na6Ca3SnP4(SO12)2,-6.7982456081,-2.6330415559,0.0506115263,0.0506115263,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Sn,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Sn +mp-2713358,Na4Ca3SnP2(SO6)4,-6.7305732462000005,-2.4829572931,0.0638178417,0.0638178417,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Sn,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Sn +mp-2715083,Na5Ca2Sn2P5SO24,-6.9220657478,-2.5998487886,0.0580631415,0.0580631415,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Sn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Sn +mp-2714143,NaCa2Sn2PS5O24,-6.7496740993,-2.2305612515,0.0352263104,0.0352263104,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Sn,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Sn +mp-2714894,Na5Ca3SnP3(SO8)3,-6.7692614703,-2.5639080304,0.0544842909,0.0544842909,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Sn,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Sn +mp-2715934,Na3CaSn3P5SO24,-7.0499589452,-2.5114350859,0.0505683271,0.0505683271,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Sn,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Sn +mp-2712865,CaSn3P2(SO6)4,-6.8790634838,-2.1694385134,0.0233887367,0.0233887367,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Sn,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Sn +mp-774917,VCr2Fe3(PO4)6,-8.1147074136,-2.420251615,0.0635258447,0.0635258447,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cr-Fe-O-P-V, expected VCr2Fe3(PO10)6 to be VCr2Fe3(PO4)6" +mp-1233189,MgVCr2Fe3(PO4)6,-7.9986620292,-2.4148596292,0.1415372837,0.1415372837,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1233400,MgVCr2Fe3(PO4)6,-8.0200947043,-2.4362923043,0.1201046086,0.1201046086,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1233627,MgVCr2Fe3(PO4)6,-8.0073068776,-2.4235044776,0.1328924353,0.1328924353,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1233973,MgVCr2Fe3(PO4)6,-8.0144672003,-2.4306648003,0.1257321126,0.1257321126,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1234478,MgVCr2Fe3(PO4)6,-8.0183299262,-2.4345275262,0.1218693867,0.1218693867,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1234917,MgVCr2Fe3(PO4)6,-8.0585813181,-2.4747789181,0.0816179948,0.0816179948,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-2216042,MgVCr2Fe3(PO4)6,-8.0230572259,-2.4392548259,0.1171420869,0.1171420869,GGA+U,P1,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V,37.0,A2B3CD24E6F_aP37_1_2a_3a_a_24a_6a_a:Cr-Fe-Mg-O-P-V +mp-1233428,MgVCr2Fe3(PO4)6,-8.0067556543,-2.4229532543,0.1334436586,0.1334436586,GGA+U,R3,A2B3CD24E6F_hR111_146_2a_3a_a_8b_2b_a:Cr-Fe-Mg-O-P-V,37.0,"Invalid WP multiplicities - A2B3CD24E6F_hR111_146_2a_3a_a_20b_2b_a:Cr-Fe-Mg-O-P-V, expected MgVCr2Fe3(PO10)6 to be MgVCr2Fe3(PO4)6" +mp-1233024,MgVFe(P2O7)2,-7.8805808519,-2.6395780274,0.023977494,0.023977494,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-1233130,MgVFe(P2O7)2,-7.83429653,-2.5932937055,0.070261816,0.070261816,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-1233455,MgVFe(P2O7)2,-7.8578096795,-2.616806855,0.0467486664,0.0467486664,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-1233634,MgVFe(P2O7)2,-7.8760336676,-2.6350308431,0.0285246783,0.0285246783,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-1233750,MgVFe(P2O7)2,-7.8821686167,-2.6411657922,0.0223897293,0.0223897293,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-1233829,MgVFe(P2O7)2,-7.8633590133,-2.6223561888,0.0411993326,0.0411993326,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-2216172,MgVFe(P2O7)2,-7.8536564248,-2.6126536003,0.0509019212,0.0509019212,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Mg-O-P-V +mp-769627,V2CrFe3(PO4)6,-8.0980652761,-2.4194189608,0.0817788814,0.0817788814,GGA+U,R3,AB3C24D6E2_hR108_146_a_3a_8b_2b_2a:Cr-Fe-O-P-V,36.0,"Invalid WP multiplicities - AB3C24D6E2_hR108_146_a_3a_20b_2b_2a:Cr-Fe-O-P-V, expected V2CrFe3(PO10)6 to be V2CrFe3(PO4)6" +mp-774892,V3Cr2Fe(PO4)6,-8.2549317664,-2.5263712533,0.0795971953,0.0795971953,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Fe-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cr-Fe-O-P-V, expected V3Cr2Fe(PO10)6 to be V3Cr2Fe(PO4)6" +mp-1182041,FeSClO10,-5.2915460773,-0.3744772427,0.6382684265,0.6382684265,GGA+U,P2_1/c,ABC10D_mP52_14_e_e_10e_e:Cl-Fe-O-S,52.0,ABC10D_mP52_14_e_e_10e_e:Cl-Fe-O-S +mp-558502,FeTeO3F,-6.5730419896,-1.8455632888,0.0,-0.0217559007,GGA+U,P2_1/c,ABC3D_mP24_14_e_e_3e_e:F-Fe-O-Te,24.0,"Invalid WP multiplicities - ABC3D_mP24_14_e_e_10e_e:F-Fe-O-Te, expected FeTeO10F to be FeTeO3F" +mp-554012,SClO2F,-5.180906013,-1.6229374296,0.0,-0.0019842962,GGA,Pca2_1,ABC2D_oP40_29_2a_2a_4a_2a:Cl-F-O-S,40.0,"Invalid WP multiplicities - ABC2D_oP40_29_5a_6a_14a_4a:Cl-F-O-S, expected S4Cl5(O7F3)2 to be SClO2F" +mp-1197776,FeTe3S3Cl3(OF2)9,-5.0803281818,-1.9781195795,0.0538069109,0.0538069109,GGA+U,P2_1/c,A3B18CD9E3F3_mP148_14_3e_18e_e_9e_3e_3e:Cl-F-Fe-O-S-Te,148.0,A3B18CD9E3F3_mP148_14_3e_18e_e_9e_3e_3e:Cl-F-Fe-O-S-Te +mp-1182492,Fe2Te2SO13,-6.2942930087,-1.2015120465,0.319381972,0.319381972,GGA+U,Pna2_1,A2B13CD2_oP72_33_2a_13a_a_2a:Fe-O-S-Te,72.0,A2B13CD2_oP72_33_2a_13a_a_2a:Fe-O-S-Te +mp-1234433,BaCaV2Ni3(HO5)2,-6.8274918537,-1.7914320536,0.3625653278,0.3625653278,GGA+U,P1,ABC2D3E10F2_aP19_1_a_a_2a_3a_10a_2a:Ba-Ca-H-Ni-O-V,19.0,ABC2D3E10F2_aP19_1_a_a_2a_3a_10a_2a:Ba-Ca-H-Ni-O-V +mp-1233236,BaCaV2Ni3(HO5)2,-6.8358057379,-1.7997459378,0.3542514436,0.3542514436,GGA+U,C2/m,ABC2D3E10F2_mC38_12_c_b_i_ae_3ij_i:Ba-Ca-H-Ni-O-V,19.0,ABC2D3E10F2_mC38_12_c_a_i_be_3ij_i:Ba-Ca-H-Ni-O-V +mp-1211222,Na2Al3Si3HNO12,-6.7968091967,-2.1946629389,0.7400659077,0.7400659077,GGA,Pna2_1,A3BCD2E12F3_oP88_33_3a_a_a_2a_12a_3a:Al-H-N-Na-O-Si,88.0,A3BCD2E12F3_oP88_33_3a_a_a_2a_12a_3a:Al-H-N-Na-O-Si +mp-1199231,Al2Si2H8N2O9,-6.5066792354,-1.8685581776,0.1997548365,0.1997548365,GGA,P2_12_12_1,A2B8C2D9E2_oP92_19_2a_8a_2a_9a_2a:Al-H-N-O-Si,92.0,A2B8C2D9E2_oP92_19_2a_8a_2a_9a_2a:Al-H-N-O-Si +mp-706243,Al2Si3H8(NO5)2,-6.8819816095,-2.2000299666,0.0,-0.0413358135,GGA,P2_1,A2B8C2D10E3_mP100_4_4a_16a_4a_20a_6a:Al-H-N-O-Si,100.0,A2B8C2D10E3_mP100_4_4a_16a_4a_20a_6a:Al-H-N-O-Si +mp-1183012,Al2Si3H8(NO5)2,-6.8765292418,-2.1945775989,0.0054523677,-0.0358834458,GGA,Fdd2,A2B8C2D10E3_oF200_43_b_4b_b_5b_ab:Al-H-N-O-Si,50.0,"Invalid WP multiplicities - A2B8C2D10E3_oF200_43_b_7b_b_5b_ab:Al-H-N-O-Si, expected Al2Si3H14(NO5)2 to be Al2Si3H8(NO5)2" +mp-863078,NaNiCSO7,-6.7554914555,-1.7468916089,0.0449615285,0.0449615285,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Na-Ni-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Na-Ni-O-S, expected NaNiCSO13 to be NaNiCSO7" +mp-776423,Li6Ni2C4SO16,-6.9560907595,-2.0177479396,0.0417234182,0.0417234182,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Li-Ni-O-S,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_2eg_b:C-Li-Ni-O-S, expected Li6Ni2C4SO20 to be Li6Ni2C4SO16" +mp-778481,Li4Ni2C4SO16,-6.9738642565,-1.8111199586,0.09788218,0.09788218,GGA+U,Fddd,A4B4C2D16E_oF216_70_h_ef_c_4h_b:C-Li-Ni-O-S,54.0,"Invalid WP multiplicities - A4B4C2D16E_oF216_70_h_2e3f_c_21h_b:C-Li-Ni-O-S, expected Li10Ni2C4SO84 to be Li4Ni2C4SO16" +mp-776196,Na6Ni2C4SO16,-6.7942302367,-1.9772110527,0.0,-0.0132361748,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Na-Ni-O-S,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_6e5g_b:C-Na-Ni-O-S, expected Na6Ni2C4SO84 to be Na6Ni2C4SO16" +mp-768598,Na2NiCSO7,-6.646234069,-1.9448071019,0.0350106156,0.0350106156,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Na-Ni-O-S,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Na-Ni-O-S +mp-770369,LiNiCSO7,-6.8158044364,-1.7538957196,0.0664403854,0.0664403854,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Li-Ni-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Li-Ni-O-S, expected LiNiCSO13 to be LiNiCSO7" +mp-1176374,Na4Ni2C4SO16,-6.8809502761,-1.8050796928,0.046702294,0.046702294,GGA+U,P1,A4B4C2D16E_aP54_1_8a_8a_4a_32a_2a:C-Na-Ni-O-S,54.0,A4B4C2D16E_aP54_1_8a_8a_4a_32a_2a:C-Na-Ni-O-S +mp-850975,Na4Ni2C4SO16,-6.8810322548,-1.8051616715,0.0466203153,0.0466203153,GGA+U,Fddd,A4B4C2D16E_oF216_70_h_ef_c_4h_b:C-Na-Ni-O-S,54.0,"Invalid WP multiplicities - A4B4C2D16E_oF216_70_h_2e3f_c_21h_b:C-Na-Ni-O-S, expected Na10Ni2C4SO84 to be Na4Ni2C4SO16" +mp-758866,Na2Li4Ni2C4SO16,-6.878831129,-1.980929521,0.0542542731,0.0542542731,GGA+U,Fddd,A4B4C2D2E16F_oF232_70_h_h_e_c_4h_b:C-Li-Na-Ni-O-S,58.0,"Invalid WP multiplicities - A4B4C2D2E16F_oF232_70_h_h_e_c_21h_b:C-Li-Na-Ni-O-S, expected Na2Li4Ni2C4SO84 to be Na2Li4Ni2C4SO16" +mp-771145,Li2NiCSO7,-6.7766044967,-1.9774446007,0.0610680623,0.0610680623,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Ni-O-S,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Ni-O-S +mp-1202734,TeAsH3NF11,-4.7755462975,-1.9906424151,0.0679170148,0.0679170148,GGA,P2_1/m,AB11C3DE_mP102_11_a2e_5e14f_e4f_ef_ef:As-F-H-N-Te,102.0,AB11C3DE_mP102_11_a2e_5e14f_e4f_ef_ef:As-F-H-N-Te +mp-1189372,TeH2NF5,-4.757343375,-1.6659380699000002,0.2209241795,0.2209241795,GGA,P2_1,A5B2CD_mP18_4_5a_2a_a_a:F-H-N-Te,18.0,A5B2CD_mP18_4_5a_2a_a_a:F-H-N-Te +mp-1200870,TeAsHXeNF11,-4.3276638887,-1.7905333837,0.2330079076,0.2330079076,GGA,P-1,AB11CDEF_aP32_2_i_11i_i_i_i_i:As-F-H-N-Te-Xe,32.0,AB11CDEF_aP32_2_i_11i_i_i_i_i:As-F-H-N-Te-Xe +mp-2715095,Na8Al2Zn2Si3(SO8)3,-6.4130136056,-2.4130927963,0.1523118355,0.1523118355,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Al-Na-O-S-Si-Zn,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Al-Na-O-S-Si-Zn +mp-2713200,Na4Al2Zn2SiS5O24,-6.461527443,-2.2476106933,0.0800678116,0.0800678116,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Al-Na-O-S-Si-Zn,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Al-Na-O-S-Si-Zn +mp-2714185,Na7Al3ZnSi3(SO8)3,-6.6482992165,-2.5224460235,0.1454114,0.1454114,GGA,P1,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Al-Na-O-S-Si-Zn,123.0,A3B7C24D3E3F_aP123_1_9a_21a_72a_9a_9a_3a:Al-Na-O-S-Si-Zn +mp-2714707,NaAl3Zn(SO4)6,-6.7303897434,-2.2344404673,0.0117940827,0.0117940827,GGA,P3,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:Al-Na-O-S-Zn,105.0,A3BC24D6E_hP105_143_2a3b4c_a2b_24d_6d_2ab:Al-Na-O-S-Zn +mp-2715017,Na3AlZn3(SO4)6,-6.2412672661,-2.0512237307,0.029995247,0.029995247,GGA,P1,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-S-Zn,111.0,AB3C24D6E3_aP111_1_3a_9a_72a_18a_9a:Al-Na-O-S-Zn +mp-2714062,NaAlZn(SO4)3,-6.4740784477,-2.1353307327,0.0261041482,0.0261041482,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Al-Na-O-S-Zn,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Al-Na-O-S-Zn, expected NaAlZn(SO12)3 to be NaAlZn(SO4)3" +mp-2715848,Na14Al4Zn4Si5S7O48,-6.4395849391,-2.3900797046,0.1345618542,0.1345618542,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Al-Na-O-S-Si-Zn,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Al-Na-O-S-Si-Zn +mp-2714817,Na10Al4Zn4Si3(S3O16)3,-6.4317443586,-2.2754419006,0.1231275467,0.1231275467,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Al-Na-O-S-Si-Zn,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Al-Na-O-S-Si-Zn +mp-2712630,Na6Al4Zn4SiS11O48,-6.4745615579,-2.1999162305,0.0471824592,0.0471824592,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Al-Na-O-S-Si-Zn,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Al-Na-O-S-Si-Zn +mp-2712811,Na3AlZnSi(SO6)2,-6.4286109733,-2.3270420924,0.1388737503,0.1388737503,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Al-Na-O-S-Si-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Al-Na-O-S-Si-Zn, expected Na4AlZnSiS3O20 to be Na3AlZnSi(SO6)2" +mp-1192921,SnH7C2SeClO3,-5.101590048,-0.6748900862,0.3211429859,0.3211429859,GGA,P-1,A2BC7D3EF_aP30_2_2i_i_7i_3i_i_i:C-Cl-H-O-Se-Sn,30.0,A2BC7D3EF_aP30_2_2i_i_7i_3i_i_i:C-Cl-H-O-Se-Sn +mp-1247398,Na3RuN2,-4.8658540921,0.119973953,0.285120932,0.285120932,GGA,I4_1/amd,A2B3C_tI48_141_h_eg_e:N-Na-Ru,24.0,A2B3C_tI48_141_h_eg_e:N-Na-Ru +mp-1247414,Na3RuN2,-4.7249021092,0.2609259359,0.426072915,0.426072915,GGA,Ia-3,A2B3C_cI96_206_ad_e_c:N-Na-Ru,48.0,A2B3C_cI96_206_ad_e_c:N-Na-Ru +mp-707508,Na2H5RuN5O12,-6.2945858212,-1.0975529207,0.0735939639,0.0735939639,GGA,C2/m,A5B5C2D12E_mC100_12_i2j_i2j_eg_2i5j_i:H-N-Na-O-Ru,50.0,A5B5C2D12E_mC100_12_i2j_i2j_eh_2i5j_i:H-N-Na-O-Ru +mp-1181101,Na2H5RuN5O12,-5.9507830724,-0.7537501719,0.4173967127,0.4173967127,GGA,C2/m,A5B5C2D12E_mC100_12_i2j_i2j_eh_2i5j_i:H-N-Na-O-Ru,50.0,A5B5C2D12E_mC100_12_i2j_i2j_eg_2i5j_i:H-N-Na-O-Ru +mp-1246938,NaRuN2,-6.8425013745,-0.0250219537,0.2226985149,0.2226985149,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Na-Ru,64.0,A2BC_oP64_61_4c_2c_2c:N-Na-Ru +mp-1247453,Na6RuN4,-4.6044531545,-0.0084955181,0.1716648227,0.1716648227,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:N-Na-Ru,22.0,A4B6C_tP22_137_g_df_a:N-Na-Ru +mp-1029313,NaRuN,-6.390335845,-0.0791949255,0.0859520535,0.0859520535,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Ru,6.0,ABC_hP6_186_b_b_a:N-Na-Ru +mp-1210448,Na4RuN6O13,-6.3959374223,-1.0255029844,0.2312156577,0.2312156577,GGA,C2/c,A6B4C13D_mC96_15_3f_2f_e6f_c:N-Na-O-Ru,48.0,A6B4C13D_mC96_15_3f_2f_e6f_a:N-Na-O-Ru +mp-758157,Na4H2RuN6O13,-6.3876226596,-1.1693196365,0.0781409261,0.0781409261,GGA,C2/c,A2B6C4D13E_mC104_15_f_3f_2f_e6f_c:H-N-Na-O-Ru,52.0,A2B6C4D13E_mC104_15_f_3f_2f_e6f_a:H-N-Na-O-Ru +mp-699477,NaH6RuN(ClO)4,-4.3751063169,-0.4650662867,0.7767692030000001,0.7767692030000001,GGA,P2_1/c,A4B6CDE4F_mP68_14_4e_6e_e_e_4e_e:Cl-H-N-Na-O-Ru,68.0,A4B6CDE4F_mP68_14_4e_6e_e_e_4e_e:Cl-H-N-Na-O-Ru +mp-2713262,Na2ZrZnP2SO12,-7.1699030099,-2.6027548919,0.0661575184,0.0661575184,GGA,Cc,A2B12C2DEF_mC76_9_2a_12a_2a_a_a_a:Na-O-P-S-Zn-Zr,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC76_9_2a_60a_7a_a_a_a:Na-O-P-S-Zn-Zr, expected Na2ZrZnP7SO60 to be Na2ZrZnP2SO12" +mp-2714816,Na5ZrZn3P3(SO8)3,-6.6333701122,-2.3690279554,0.068917791,0.068917791,GGA,P1,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-P-S-Zn-Zr,117.0,A5B24C3D3E3F_aP117_1_15a_72a_9a_9a_9a_3a:Na-O-P-S-Zn-Zr +mp-2713991,Na3Zr2Zn2P3(SO8)3,-7.1539399248,-2.5336088288000003,0.0387883378,0.0387883378,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Zn-Zr,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Zn-Zr +mp-2713707,Na5Zn4PS5O24,-6.0819393781,-2.0699475366,0.051060803,0.051060803,GGA,P1,A5B24CD5E4_aP117_1_15a_72a_3a_15a_12a:Na-O-P-S-Zn,117.0,A5B24CD5E4_aP117_1_15a_72a_3a_15a_12a:Na-O-P-S-Zn +mp-2713756,Na3Zn2P(SO6)2,-6.1316418863,-2.1549653925,0.063562023,0.063562023,GGA,Cc,A3B12CD2E2_mC240_9_9a_36a_3a_6a_6a:Na-O-P-S-Zn,120.0,"Invalid WP multiplicities - A3B12CD2E2_mC240_9_12a_60a_3a_9a_6a:Na-O-P-S-Zn, expected Na4Zn2PS3O20 to be Na3Zn2P(SO6)2" +mp-2713039,Zr3ZnP2(SO6)4,-7.6747525555,-2.5866414069,0.0064191725,0.0064191725,GGA,P1,A24B2C4DE3_aP102_1_72a_6a_12a_3a_9a:O-P-S-Zn-Zr,102.0,A24B2C4DE3_aP102_1_72a_6a_12a_3a_9a:O-P-S-Zn-Zr +mp-2712922,Na4Zn2P2SO12,-6.2277481217,-2.3166572737,0.0815603618,0.0815603618,GGA,Cc,A4B12C2DE2_mC84_9_4a_12a_2a_a_2a:Na-O-P-S-Zn,126.0,"Invalid WP multiplicities - A4B12C2DE2_mC84_9_14a_60a_7a_a_6a:Na-O-P-S-Zn, expected Na14Zn6P7SO60 to be Na4Zn2P2SO12" +mp-2712610,Na2Zr3ZnP4(SO12)2,-7.7400832295,-2.7902350374,0.0266644105,0.0266644105,GGA,P1,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-P-S-Zn-Zr,108.0,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-P-S-Zn-Zr +mp-2713367,Na4ZrZn3P2(SO6)4,-6.593860286,-2.2857032811,0.0550601453,0.0550601453,GGA,P1,A4B24C2D4E3F_aP114_1_12a_72a_6a_12a_9a_3a:Na-O-P-S-Zn-Zr,114.0,A4B24C2D4E3F_aP114_1_12a_72a_6a_12a_9a_3a:Na-O-P-S-Zn-Zr +mp-2712810,Na6ZrZn3P4(SO12)2,-6.6769557077,-2.4542376564,0.0730018869,0.0730018869,GGA,P1,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-S-Zn-Zr,120.0,A6B24C4D2E3F_aP120_1_18a_72a_12a_6a_9a_3a:Na-O-P-S-Zn-Zr +mp-2714962,Na5Zr2Zn2P5SO24,-7.2081267357,-2.6914342635,0.0626860859,0.0626860859,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Zn-Zr,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Zn-Zr +mp-2714606,Na7Zn4P3(SO8)3,-6.1812531121,-2.2381692661,0.0730071139,0.0730071139,GGA,P1,A7B24C3D3E4_aP123_1_21a_72a_9a_9a_12a:Na-O-P-S-Zn,123.0,A7B24C3D3E4_aP123_1_21a_72a_9a_9a_12a:Na-O-P-S-Zn +mp-2714096,NaZr2Zn2PS5O24,-6.19306204,-1.4572479062,0.8832871213,0.8832871213,GGA,P1,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Zn-Zr,105.0,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Zn-Zr +mp-2716548,NaZr3ZnP3(SO8)3,-7.7143096897,-2.6973052045,0.0151105058,0.0151105058,GGA,P1,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-P-S-Zn-Zr,105.0,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-P-S-Zn-Zr +mp-2715977,Na7ZrZn3P5SO24,-6.7211059841,-2.5379815942,0.0592239549,0.0592239549,GGA,P1,A7B24C5DE3F_aP123_1_21a_72a_15a_3a_9a_3a:Na-O-P-S-Zn-Zr,123.0,A7B24C5DE3F_aP123_1_21a_72a_15a_3a_9a_3a:Na-O-P-S-Zn-Zr +mp-2712665,Na3ZrZn3PS5O24,-6.5529230603,-2.1985828373,0.0296302,0.0296302,GGA,P1,A3B24CD5E3F_aP111_1_9a_72a_3a_15a_9a_3a:Na-O-P-S-Zn-Zr,111.0,A3B24CD5E3F_aP111_1_9a_72a_3a_15a_9a_3a:Na-O-P-S-Zn-Zr +mp-2715913,Na3Zr3ZnP5SO24,-7.7575080228,-2.8711860539,0.041177705,0.041177705,GGA,P1,A3B24C5DEF3_aP111_1_9a_72a_15a_3a_3a_9a:Na-O-P-S-Zn-Zr,111.0,A3B24C5DEF3_aP111_1_9a_72a_15a_3a_3a_9a:Na-O-P-S-Zn-Zr +mp-2715564,NaZrZnP(SO6)2,-7.1076350201,-2.4311663363,0.0324230004,0.0324230004,GGA,Cc,AB12CD2EF_mC216_9_3a_36a_3a_6a_3a_3a:Na-O-P-S-Zn-Zr,108.0,"Invalid WP multiplicities - AB12CD2EF_mC216_9_3a_60a_3a_9a_3a_3a:Na-O-P-S-Zn-Zr, expected NaZrZnPS3O20 to be NaZrZnP(SO6)2" +mp-1234197,MgZn3Cu2H14(SO9)2,-5.4335339802,-1.4737993456,0.0794438457,0.0794438457,GGA,P1,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn,40.0,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn +mp-1234553,MgZn3Cu2H14(SO9)2,-5.4338669475,-1.4741323128,0.0791108784,0.0791108784,GGA,P1,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn,40.0,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn +mp-1235006,MgZn3Cu2H14(SO9)2,-5.4338942793000005,-1.4741596446,0.0790835467,0.0790835467,GGA,P1,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn,40.0,A2B14CD18E2F3_aP40_1_2a_14a_a_18a_2a_3a:Cu-H-Mg-O-S-Zn +mp-1204474,ZnCu2H4(SO4)2,-5.4686296382,-1.2994843115,0.1227531929,0.1227531929,GGA,P2_1/c,A2B4C8D2E_mP34_14_e_2e_4e_e_a:Cu-H-O-S-Zn,34.0,A2B4C8D2E_mP34_14_e_2e_4e_e_a:Cu-H-O-S-Zn +mp-1204058,Zn3Cu2H14(SO9)2,-5.4615640436,-1.4413305734,0.022537309,0.022537309,GGA,P-1,A2B14C18D2E3_aP39_2_ac_7i_9i_i_bi:Cu-H-O-S-Zn,39.0,A2B14C18D2E3_aP39_2_ac_7i_9i_i_bi:Cu-H-O-S-Zn +mp-2714645,Na5HfMg3P3(SO8)3,-6.9727380703,-2.6460600745,0.0490015568,0.0490015568,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-Mg-Na-O-P-S,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Hf-Mg-Na-O-P-S +mp-2714495,NaHfMgP(SO6)2,-7.4309687271,-2.6572764411,0.0286341765,0.0286341765,GGA,Cc,ABCD12EF2_mC216_9_3a_3a_3a_36a_3a_6a:Hf-Mg-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12EF2_mC216_9_3a_3a_3a_60a_3a_9a:Hf-Mg-Na-O-P-S, expected NaHfMgPS3O20 to be NaHfMgP(SO6)2" +mp-2712528,Na3HfMg3PS5O24,-6.9124321949,-2.4923866281,0.0172157074,0.0172157074,GGA,P1,AB3C3D24EF5_aP111_1_3a_9a_9a_72a_3a_15a:Hf-Mg-Na-O-P-S,111.0,AB3C3D24EF5_aP111_1_3a_9a_9a_72a_3a_15a:Hf-Mg-Na-O-P-S +mp-2714958,Na5Hf2Mg2P5SO24,-7.5049936125,-2.8985562766,0.0318025086,0.0318025086,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Hf-Mg-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Hf-Mg-Na-O-P-S +mp-2713290,Na2HfMgP2SO12,-7.4730632579,-2.8138085694,0.0572214213,0.0572214213,GGA,Cc,ABC2D12E2F_mC76_9_a_a_2a_12a_2a_a:Hf-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC76_9_a_a_2a_60a_7a_a:Hf-Mg-Na-O-P-S, expected Na2HfMgP7SO60 to be Na2HfMgP2SO12" +mp-2713740,Na3Hf2Mg2P3(SO8)3,-7.4706908458,-2.7557638125,0.0291417755,0.0291417755,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Hf-Mg-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Hf-Mg-Na-O-P-S +mp-2713483,Na4HfMg3P2(SO6)4,-6.941605646,-2.5694723853,0.0371005287,0.0371005287,GGA,P1,AB3C4D24E2F4_aP114_1_3a_9a_12a_72a_6a_12a:Hf-Mg-Na-O-P-S,114.0,AB3C4D24E2F4_aP114_1_3a_9a_12a_72a_6a_12a:Hf-Mg-Na-O-P-S +mp-2712881,Hf3MgP2(SO6)4,-7.9733956615,-2.7509021117,0.0080719206,0.0080719206,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Hf-Mg-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Hf-Mg-O-P-S +mp-2712589,Na2Hf3MgP4(SO12)2,-8.0238424197,-2.9470775154,0.0220251781,0.0220251781,GGA,P1,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Hf-Mg-Na-O-P-S,108.0,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Hf-Mg-Na-O-P-S +mp-2716357,NaHf3MgP3(SO8)3,-8.000946561,-2.8533991718,0.0144435874,0.0144435874,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Hf-Mg-Na-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Hf-Mg-Na-O-P-S +mp-2712855,Na7HfMg3P5SO24,-7.0345428457,-2.7921233895,0.0195007852,0.0195007852,GGA,P1,AB3C7D24E5F_aP123_1_3a_9a_21a_72a_15a_3a:Hf-Mg-Na-O-P-S,123.0,AB3C7D24E5F_aP123_1_3a_9a_21a_72a_15a_3a:Hf-Mg-Na-O-P-S +mp-2712607,Na6HfMg3P4(SO12)2,-7.0055085344,-2.7220130401,0.036964914,0.036964914,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Hf-Mg-Na-O-P-S,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Hf-Mg-Na-O-P-S +mp-2714236,NaHf2Mg2PS5O24,-7.401331099,-2.5655155457000003,0.0125559284,0.0125559284,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Hf-Mg-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Hf-Mg-Na-O-P-S +mp-2716009,Na3Hf3MgP5SO24,-8.0351332556,-3.0253247558,0.0311853974,0.0311853974,GGA,P1,A3BC3D24E5F_aP111_1_9a_3a_9a_72a_15a_3a:Hf-Mg-Na-O-P-S,111.0,A3BC3D24E5F_aP111_1_9a_3a_9a_72a_15a_3a:Hf-Mg-Na-O-P-S +mp-1246948,FeSnN,-6.8735069333,0.0651890633,0.274946955,0.274946955,GGA,P6_3mc,ABC_hP6_186_b_b_a:Fe-N-Sn,6.0,ABC_hP6_186_b_b_a:Fe-N-Sn +mp-21231,FeSn2(CN)6,-8.0414094173,0.083932411,0.1258839893,0.1258839893,GGA,P-3,A6BC6D2_hP15_147_g_a_g_d:C-Fe-N-Sn,15.0,A6BC6D2_hP15_147_g_a_g_d:C-Fe-N-Sn +mp-1196234,Fe3H16C4(SeN)4,-5.5945146542,-0.306193108,0.0833431359,0.0833431359,GGA,C2/c,A4B3C16D4E4_mC124_15_2f_cf_8f_2f_2f:C-Fe-H-N-Se,62.0,A4B3C16D4E4_mC124_15_2f_af_8f_2f_2f:C-Fe-H-N-Se +mp-1196193,FeSn4H24C8(Se5N)2,-5.0318856449,-0.3095353944,0.0773887903,0.0773887903,GGA,I-4,A8BC24D2E10F4_tI98_82_2g_a_6g_bc_f2g_g:C-Fe-H-N-Se-Sn,49.0,A8BC24D2E10F4_tI98_82_2g_a_6g_bc_f2g_g:C-Fe-H-N-Se-Sn +mp-1247425,FeSnN2,-7.1689518994,0.1191938294,0.2765122481,0.2765122481,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Fe-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Fe-N-Sn +mp-2713124,Na2CaGaP(SO6)2,-6.6106177104,-2.3619222754,0.1158414546,0.1158414546,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Ca-Ga-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Ca-Ga-Na-O-P-S, expected Na2CaGaPS3O20 to be Na2CaGaP(SO6)2" +mp-1189986,Ca3(GaP2)2,-4.6220030217,-0.8746472759,0.0,-0.0161522994,GGA,C2/c,A3B2C4_mC36_15_ef_f_2f:Ca-Ga-P,18.0,A3B2C4_mC36_15_ef_f_2f:Ca-Ga-P +mp-2712770,Na3Ca2Ga2PS5O24,-6.6011774309,-2.3079058472,0.0592193977,0.0592193977,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-Ga-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Ca-Ga-Na-O-P-S +mp-1078849,Ca(GaP)2,-4.450588138,-0.6729087503,0.0,-0.0303508337,GGA,P6_3/mmc,AB2C2_hP10_194_a_f_f:Ca-Ga-P,10.0,AB2C2_hP10_194_a_f_f:Ca-Ga-P +mp-2714632,Na5Ca2Ga2P3(SO8)3,-6.6510979279,-2.4446926852,0.1058888767,0.1058888767,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-Ga-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Ca-Ga-Na-O-P-S +mp-2715900,Na7Ca2Ga2P5SO24,-6.7569847743,-2.6289711077,0.0516073476,0.0516073476,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Ga-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Ca-Ga-Na-O-P-S +mp-2712590,Na3CaGaP2SO12,-6.6951057668,-2.5288762068,0.0889671461,0.0889671461,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Ca-Ga-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Ca-Ga-Na-O-P-S, expected Na8CaGaP7SO60 to be Na3CaGaP2SO12" +mp-2715081,Na4CaGa(PO4)3,-6.764786891,-2.6731693134,0.0639828985,0.0639828985,GGA,R3c,ABC4D12E3_hR126_161_a_a_ab_4b_b:Ca-Ga-Na-O-P,126.0,"Invalid WP multiplicities - ABC4D12E3_hR126_161_a_a_ab_12b_b:Ca-Ga-Na-O-P, expected Na4CaGa(PO12)3 to be Na4CaGa(PO4)3" +mp-2714243,Na7CaGa3(PO4)6,-6.8042638326,-2.6201684884,0.0465346117,0.0465346117,GGA,P1,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-Ga-Na-O-P,123.0,AB3C7D24E6_aP123_1_3a_9a_21a_72a_18a:Ca-Ga-Na-O-P +mp-2716335,Na5YNb3Si5PO24,-7.9943218136,-3.0034645206,0.0540093335,0.0540093335,GGA,P1,A5B3C24DE5F_aP117_1_15a_9a_72a_3a_15a_3a:Na-Nb-O-P-Si-Y,117.0,A5B3C24DE5F_aP117_1_15a_9a_72a_3a_15a_3a:Na-Nb-O-P-Si-Y +mp-2712576,Na2YNbSi(PO6)2,-7.9812922189,-2.9905019916,0.0836207039,0.0836207039,GGA,Cc,A2BC12D2EF_mC228_9_6a_3a_36a_6a_3a_3a:Na-Nb-O-P-Si-Y,114.0,"Invalid WP multiplicities - A2BC12D2EF_mC228_9_6a_3a_72a_10a_3a_3a:Na-Nb-O-P-Si-Y, expected Na6Y3Nb3Si3(P5O36)2 to be Na2YNbSi(PO6)2" +mp-2714116,Na5Y2Nb2Si3(PO8)3,-7.8814306732,-2.9843904308,0.0929648895,0.0929648895,GGA,P1,A5B2C24D3E3F2_aP117_1_15a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Y,117.0,A5B2C24D3E3F2_aP117_1_15a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Y +mp-2715177,Na4YNb3Si4(PO12)2,-8.0928873624,-3.0058112147,0.0543620157,0.0543620157,GGA,P1,A4B3C24D2E4F_aP114_1_12a_9a_72a_6a_12a_3a:Na-Nb-O-P-Si-Y,114.0,A4B3C24D2E4F_aP114_1_12a_9a_72a_6a_12a_3a:Na-Nb-O-P-Si-Y +mp-2712921,Na3YNb3Si3(PO8)3,-8.1955400098,-3.0070439884,0.0440092778,0.0440092778,GGA,P1,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Na-Nb-O-P-Si-Y,111.0,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Na-Nb-O-P-Si-Y +mp-2715752,Na8Y3NbSi4(PO12)2,-7.5710403742,-3.0155802092,0.0478309844,0.0478309844,GGA,P1,A8BC24D2E4F3_aP126_1_24a_3a_72a_6a_12a_9a:Na-Nb-O-P-Si-Y,126.0,A8BC24D2E4F3_aP126_1_24a_3a_72a_6a_12a_9a:Na-Nb-O-P-Si-Y +mp-2713893,Na2Y3Nb5(PO4)12,-8.3496733857,-2.9932208521,0.0098963835,0.0098963835,GGA,P1,A2B5C48D12E3_aP210_1_6a_15a_144a_36a_9a:Na-Nb-O-P-Y,210.0,A2B5C48D12E3_aP210_1_6a_15a_144a_36a_9a:Na-Nb-O-P-Y +mp-2714107,Na5Y3NbSiP5O24,-7.847328970199999,-3.0441057784,0.0509403277,0.0509403277,GGA,P1,A5BC24D5EF3_aP117_1_15a_3a_72a_15a_3a_9a:Na-Nb-O-P-Si-Y,117.0,A5BC24D5EF3_aP117_1_15a_3a_72a_15a_3a_9a:Na-Nb-O-P-Si-Y +mp-2713827,YNb3(PO4)6,-8.492748558,-2.9641976656,0.0,-0.0007051459,GGA,P3,A3B24C6D_hP102_143_2a3b4c_24d_6d_2ab:Nb-O-P-Y,102.0,A3B24C6D_hP102_143_2a3b4c_24d_6d_2ab:Nb-O-P-Y +mp-2713514,Na10Y7Nb(PO4)12,-7.8260334056,-3.0697187391,0.032163384,0.032163384,GGA,P1,A10BC48D12E7_aP234_1_30a_3a_144a_36a_21a:Na-Nb-O-P-Y,234.0,A10BC48D12E7_aP234_1_30a_3a_144a_36a_21a:Na-Nb-O-P-Y +mp-2714497,Na7Y2Nb2Si5PO24,-7.7028747779,-2.9796149953,0.0767897738,0.0767897738,GGA,P1,A7B2C24DE5F2_aP123_1_21a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Y,123.0,A7B2C24DE5F2_aP123_1_21a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Y +mp-2713634,Na4Y3Nb(PO4)6,-7.9447628623,-3.0502585553,0.0336030622,0.0336030622,GGA,P1,A4BC24D6E3_aP114_1_12a_3a_72a_18a_9a:Na-Nb-O-P-Y,114.0,A4BC24D6E3_aP114_1_12a_3a_72a_18a_9a:Na-Nb-O-P-Y +mp-2713523,NaYNb(PO4)3,-8.1921441064,-2.9982289118,0.0371230614,0.0371230614,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Na-Nb-O-P-Y,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Na-Nb-O-P-Y, expected NaYNb(PO12)3 to be NaYNb(PO4)3" +mp-2714916,Na6Y5Nb3(PO4)12,-8.0678841279,-3.0277204703,0.0331361896,0.0331361896,GGA,P1,A6B3C48D12E5_aP222_1_18a_9a_144a_36a_15a:Na-Nb-O-P-Y,222.0,A6B3C48D12E5_aP222_1_18a_9a_144a_36a_15a:Na-Nb-O-P-Y +mp-2715778,Na2YNb3Si2(PO6)4,-8.301891329,-3.0063409963,0.0290112058,0.0290112058,GGA,P1,A2B3C24D4E2F_aP108_1_6a_9a_72a_12a_6a_3a:Na-Nb-O-P-Si-Y,108.0,A2B3C24D4E2F_aP108_1_6a_9a_72a_12a_6a_3a:Na-Nb-O-P-Si-Y +mp-2713644,Na3YNbSi2PO12,-7.7865263373,-2.9785485806,0.0897693405,0.0897693405,GGA,Cc,A3BC12DE2F_mC80_9_3a_a_12a_a_2a_a:Na-Nb-O-P-Si-Y,120.0,"Invalid WP multiplicities - A3BC12DE2F_mC80_9_13a_a_72a_a_12a_a:Na-Nb-O-P-Si-Y, expected Na13YNbSi12PO72 to be Na3YNbSi2PO12" +mp-2713260,Na3YNbSi2PO12,-7.7893640409,-2.9813862841,0.0869316369,0.0869316369,GGA,Cc,A3BC12DE2F_mC240_9_9a_3a_36a_3a_6a_3a:Na-Nb-O-P-Si-Y,240.0,"Invalid WP multiplicities - A3BC12DE2F_mC240_9_30a_10a_132a_10a_22a_10a:Na-Nb-O-P-Si-Y, expected Na15Y5Nb5Si11P5O66 to be Na3YNbSi2PO12" +mp-2714710,Na7Y3NbSi3(PO8)3,-7.6533253938,-3.0193062203,0.056169996,0.056169996,GGA,P1,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-P-Si-Y,123.0,A7BC24D3E3F3_aP123_1_21a_3a_72a_9a_9a_9a:Na-Nb-O-P-Si-Y +mp-2715555,NaYNb3SiP5O24,-8.4069024922,-2.9981804590000003,0.0152865142,0.0152865142,GGA,P1,AB3C24D5EF_aP105_1_3a_9a_72a_15a_3a_3a:Na-Nb-O-P-Si-Y,105.0,AB3C24D5EF_aP105_1_3a_9a_72a_15a_3a_3a:Na-Nb-O-P-Si-Y +mp-2715449,Na6Y3NbSi2(PO6)4,-7.757543805,-3.0410376726,0.0466646781,0.0466646781,GGA,P1,A6BC24D4E2F3_aP40_1_6a_a_24a_4a_2a_3a:Na-Nb-O-P-Si-Y,80.0,"Invalid WP multiplicities - A6BC24D4E2F3_aP40_1_12a_a_48a_8a_4a_6a:Na-Nb-O-P-Si-Y, expected Na12Y6NbSi4(PO6)8 to be Na6Y3NbSi2(PO6)4" +mp-2715451,Na6Y3NbSi2(PO6)4,-7.7597190083,-3.0432128758,0.0444894748,0.0444894748,GGA,P1,A6BC24D4E2F3_aP120_1_18a_3a_72a_12a_6a_9a:Na-Nb-O-P-Si-Y,120.0,A6BC24D4E2F3_aP120_1_18a_3a_72a_12a_6a_9a:Na-Nb-O-P-Si-Y +mp-2712890,Na3Y2Nb2SiP5O24,-8.0834733737,-2.9938655948,0.0663968477,0.0663968477,GGA,P1,A3B2C24D5EF2_aP111_1_9a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Y,111.0,A3B2C24D5EF2_aP111_1_9a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Y +mp-1235207,LiAl2H4Pb2(O2F3)2,-5.6590055732,-2.4141686523,0.1250473344,0.1250473344,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb +mp-1235551,LiAl2H4Pb2(O2F3)2,-5.6496950053,-2.4048580844,0.1343579023,0.1343579023,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb +mp-1235701,LiAl2H4Pb2(O2F3)2,-5.6736429658,-2.4288060449,0.1104099418,0.1104099418,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb +mp-1236388,LiAl2H4Pb2(O2F3)2,-5.6823113974,-2.4374744765000003,0.1017415102,0.1017415102,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb +mp-1236447,LiAl2H4Pb2(O2F3)2,-5.6777022905,-2.4328653696,0.106350617,0.106350617,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Li-O-Pb +mp-1236332,LiAl2H4Pb2(O2F3)2,-5.6794997205,-2.4346627996,0.104553187,0.104553187,GGA,P-1,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Li-O-Pb +mp-1236334,LiAl2H4Pb2(O2F3)2,-5.6777275216,-2.4328906007,0.106325386,0.106325386,GGA,P-1,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Li-O-Pb,19.0,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Li-O-Pb +mp-1196550,Ca2Mg5Si8(HO12)2,-7.574888082,-3.1621777061,0.0,-0.0046969498,GGA,C2/m,A2B2C5D24E8_mC82_12_h_i_agh_2i5j_2j:Ca-H-Mg-O-Si,41.0,A2B2C5D24E8_mC82_12_h_i_agh_2i5j_2j:Ca-H-Mg-O-Si +mp-708991,KCa4Si8H16O29,-6.747274839,-2.4322242863,0.0252372572,0.0252372572,GGA,P4/mnc,A4B16CD29E8_tP116_128_h_2i_a_bg3i_i:Ca-H-K-O-Si,116.0,A4B16CD29E8_tP116_128_h_2i_a_bg3i_i:Ca-H-K-O-Si +mp-720217,K3Ca2Mg10Si16(HO12)4,-6.9636097804,-2.612257396,0.4540163912,0.4540163912,GGA,P-1,A2B4C3D10E48F16_aP83_2_i_2i_ai_5i_24i_8i:Ca-H-K-Mg-O-Si,83.0,"Invalid WP multiplicities - A2B4C3D10E48F16_aP83_2_i_2i_a2i_8i_46i_14i:Ca-H-K-Mg-O-Si, expected K5Ca2Mg16Si28(HO23)4 to be K3Ca2Mg10Si16(HO12)4" +mp-1260618,K3Ca2Mg10Si16(HO12)4,-6.9964337334,-2.645081349,0.4211924382,0.4211924382,GGA,P-1,A2B4C3D10E48F16_aP83_2_i_2i_ai_5i_24i_8i:Ca-H-K-Mg-O-Si,83.0,"Invalid WP multiplicities - A2B4C3D10E48F16_aP83_2_i_2i_a2i_8i_46i_14i:Ca-H-K-Mg-O-Si, expected K5Ca2Mg16Si28(HO23)4 to be K3Ca2Mg10Si16(HO12)4" +mp-995190,KCaSiHO4,-6.7221188794,-2.757019161,0.0200227833,0.0200227833,GGA,P2_1,ABCD4E_mP16_4_a_a_a_4a_a:Ca-H-K-O-Si,16.0,ABCD4E_mP16_4_a_a_a_4a_a:Ca-H-K-O-Si +mp-1223917,K2CaMg5Si8(HO12)2,-7.3829274124,-3.070157807,0.0,-0.0031988191,GGA,P1,AB2C2D5E24F8_aP42_1_a_2a_2a_5a_24a_8a:Ca-H-K-Mg-O-Si,42.0,AB2C2D5E24F8_aP42_1_a_2a_2a_5a_24a_8a:Ca-H-K-Mg-O-Si +mp-25464,LiCoPCO7,-7.2613150995,-1.9625851323,0.0530530997,0.0530530997,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Co-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_12a_a:C-Co-Li-O-P, expected LiCoPCO12 to be LiCoPCO7" +mp-766821,Li3CoPCO7,-7.0456732742,-2.2684520917,0.0694574373,0.0694574373,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P +mp-766817,Li3CoPCO7,-7.0498897929,-2.2726686104,0.0652409187,0.0652409187,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P +mp-766815,Li3CoPCO7,-7.0476442008,-2.2704230182,0.0674865108,0.0674865108,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P +mp-1177705,Li3CoPCO7,-7.05999513,-2.2827739475,0.0551355815,0.0551355815,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Li-O-P +mp-1650352,Li3CoPCO7,-7.047451291,-2.2702301084,0.0676794206,0.0676794206,GGA+U,P1,ABC3D7E_aP26_1_2a_2a_6a_14a_2a:C-Co-Li-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Li-O-P +mp-754820,Li3CoPCO7,-7.048836381,-2.2716151984,0.0662943306,0.0662943306,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Li-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Li-O-P +mp-771339,Li3CoPCO7,-7.0756175617,-2.2983963792,0.0395131498,0.0395131498,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Li-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Li-O-P +mp-25458,Li3CoPCO7,-7.0757955527,-2.2985743702,0.0393351588,0.0393351588,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Li-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Li-O-P +mp-766703,Li3CoPCO7,-7.0429648025,-2.26574362,0.072165909,0.072165909,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Co-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Co-Li-O-P, expected Li5CoPCO23 to be Li3CoPCO7" +mp-766707,Li3CoPCO7,-7.0498616892,-2.2726405067,0.0652690223,0.0652690223,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Co-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Co-Li-O-P, expected Li5CoPCO26 to be Li3CoPCO7" +mp-766705,Li3CoPCO7,-7.0294965075,-2.252275325,0.085634204,0.085634204,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Co-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Co-Li-O-P, expected Li5CoPCO23 to be Li3CoPCO7" +mp-760041,Li3CoPCO7,-7.0433119825,-2.2660908,0.071818729,0.071818729,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Co-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Co-Li-O-P, expected Li5CoPCO26 to be Li3CoPCO7" +mp-25454,Li2CoPCO7,-7.1645701979,-2.1483241557,0.0500534898,0.0500534898,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_8e3f_e:C-Co-Li-O-P, expected Li2CoPCO14 to be Li2CoPCO7" +mp-861533,Na2Li2CoO4,-5.3551904547,-1.6487494591,0.0558790072,0.0558790072,GGA+U,P1,AB2C2D4_aP36_1_4a_8a_8a_16a:Co-Li-Na-O,36.0,AB2C2D4_aP36_1_4a_8a_8a_16a:Co-Li-Na-O +mp-759586,Na2Li2CoO4,-5.3377646956,-1.6313236999999998,0.0733047664,0.0733047664,GGA+U,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:Co-Li-Na-O,36.0,"Invalid WP multiplicities - AB2C2D4_mP36_14_e_5e_4e_13e:Co-Li-Na-O, expected Na4Li5CoO13 to be Na2Li2CoO4" +mp-1101670,NaCoPCO7,-7.1733251555,-1.9279040585,0.0535989278,0.0535989278,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Co-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Co-Na-O-P, expected NaCoPCO13 to be NaCoPCO7" +mp-770988,Na2CoPCO7,-7.0204745421,-2.1019614288,0.0273247532,0.0273247532,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Co-Na-O-P, expected Na2CoPCO13 to be Na2CoPCO7" +mp-760344,NaLi2CoPCO7,-7.0077238156,-2.2756101387,0.0283264892,0.0283264892,GGA+U,P2_1,ABC2DE7F_mP26_4_a_a_2a_a_7a_a:C-Co-Li-Na-O-P,52.0,ABC2DE7F_mP26_4_a_a_2a_a_7a_a:C-Co-Li-Na-O-P +mp-771217,Na4Co2P(CO4)4,-7.0261272635,-1.8045820554,0.1250629162,0.1250629162,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Co-Na-O-P,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Co-Na-O-P, expected Na10Co2P(CO21)4 to be Na4Co2P(CO4)4" +mp-1653394,Na3CoPCO7,-6.8583235298,-2.2164248642,0.0184794246,0.0080864341,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Na-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Co-Na-O-P +mp-770937,Na3CoPCO7,-6.8586672892,-2.2167686236,0.0181356652,0.0077426746,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Co-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Co-Na-O-P, expected Na5CoPCO13 to be Na3CoPCO7" +mp-1301551,Na3CoPCO7,-6.8741374865,-2.2322388209,0.0026654679,-0.0077275227,GGA+U,Pm,ABC3D7E_mP52_6_2a2b_2a2b_2a2b4c_10a10b4c_2a2b:C-Co-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Na-O-P +mp-770948,Na3CoPCO7,-6.8768029544,-2.2349042888,0.0,-0.0103929905,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Na-O-P +mp-770874,Na6Co2P(CO4)4,-6.9646286376,-2.0119813546,0.0212315755,0.0212315755,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Co-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:C-Co-Na-O-P, expected Na6Co2P(CO5)4 to be Na6Co2P(CO4)4" +mp-768461,Na5Co2P(CO4)4,-7.0138111211,-1.9315166241,0.0528477736,0.0528477736,GGA+U,C2/c,A4B2C5D16E_mC112_15_2f_ac_e2f_8f_e:C-Co-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_mC112_15_6f_2ac_e8f_31f_e:C-Co-Na-O-P, expected Na17Co3P(C6O31)2 to be Na5Co2P(CO4)4" +mp-1176370,Na5Co2P(CO4)4,-7.0186475189,-1.936353022,0.0480113758,0.0480113758,GGA+U,Fdd2,A4B2C5D16E_oF224_43_2b_b_a2b_8b_a:C-Co-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_oF224_43_4b_b_2a7b_20b_a:C-Co-Na-O-P, expected Na16Co2P(CO5)8 to be Na5Co2P(CO4)4" +mp-768850,Na5LiCo2P2(CO7)2,-6.9051837123,-2.2407312939,0.0114310797,0.0114310797,GGA+U,P1,A2B2CD5E14F2_aP26_1_2a_2a_a_5a_14a_2a:C-Co-Li-Na-O-P,26.0,A2B2CD5E14F2_aP26_1_2a_2a_a_5a_14a_2a:C-Co-Li-Na-O-P +mp-752421,Na5LiCo2P2(CO7)2,-6.9038212162,-2.2393687977,0.0127935759,0.0127935759,GGA+U,Pm,A2B2CD5E14F2_mP26_6_ab_ab_a_b2c_5a5b2c_ab:C-Co-Li-Na-O-P,52.0,A2B2CD5E14F2_mP26_6_ab_ab_a_b2c_5a5b2c_ab:C-Co-Li-Na-O-P +mp-1574878,Na5LiCo2P2(CO7)2,-6.841615404,-2.1771629856,0.074999388,0.074999388,GGA+U,Cm,A2B2CD5E14F2_mC104_8_2ab_2ab_b_2a4b_10a9b_2ab:C-Co-Li-Na-O-P,52.0,A2B2CD5E14F2_mP26_6_ab_ab_a_b2c_5a5b2c_ab:C-Co-Li-Na-O-P +mp-504854,Na2Li3CoO4,-5.3291576152,-1.8024684326,0.0,-0.0090094532,GGA+U,Pnnm,AB3C2D4_oP40_58_g_gh_eg_2gh:Co-Li-Na-O,40.0,AB3C2D4_oP40_58_g_gh_eg_2gh:Co-Li-Na-O +mp-2715226,Na3YTiSi(PO6)2,-7.693913161,-2.9968268316,0.0864731955,0.0864731955,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-Si-Ti-Y,80.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_3a_30a_2a_a_a_a:Na-O-P-Si-Ti-Y, expected Na3YTiSi(PO15)2 to be Na3YTiSi(PO6)2" +mp-2715267,Na3YTiSi(PO6)2,-7.6995284428,-3.0024421134,0.0808579136,0.0808579136,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-P-Si-Ti-Y,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_14a_72a_10a_3a_3a_3a:Na-O-P-Si-Ti-Y, expected Na14Y3Ti3Si3(P5O36)2 to be Na3YTiSi(PO6)2" +mp-2714730,Na7Y2Ti2Si3(PO8)3,-7.6440265127,-3.0289534884,0.0449443673,0.0449443673,GGA,P1,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Ti-Y,123.0,A7B24C3D3E2F2_aP123_1_21a_72a_9a_9a_6a_6a:Na-O-P-Si-Ti-Y +mp-2714643,Na3YTi3(PO4)6,-8.0267222098,-3.0180501246,0.0303107156,0.0303107156,GGA,P1,A3B24C6D3E_aP111_1_9a_72a_18a_9a_3a:Na-O-P-Ti-Y,111.0,A3B24C6D3E_aP111_1_9a_72a_18a_9a_3a:Na-O-P-Ti-Y +mp-2713156,Na5Y3Ti(PO4)6,-7.8001125182,-3.053756725,0.0425371531,0.0425371531,GGA,P1,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-P-Ti-Y,117.0,A5B24C6DE3_aP117_1_15a_72a_18a_3a_9a:Na-O-P-Ti-Y +mp-2715544,Na4YTiSi2PO12,-7.5223780271,-2.9854129126,0.0766797744,0.0766797744,GGA,Cc,A4B12CD2EF_mC84_9_4a_12a_a_2a_a_a:Na-O-P-Si-Ti-Y,126.0,"Invalid WP multiplicities - A4B12CD2EF_mC84_9_19a_72a_a_12a_a_a:Na-O-P-Si-Ti-Y, expected Na19YTiSi12PO72 to be Na4YTiSi2PO12" +mp-2713541,Na2YTi(PO4)3,-7.8849097285,-3.0108473195,0.0621107375,0.0621107375,GGA,Cc,A2B12C3DE_mC76_9_2a_12a_3a_a_a:Na-O-P-Ti-Y,114.0,"Invalid WP multiplicities - A2B12C3DE_mC76_9_2a_72a_18a_a_a:Na-O-P-Ti-Y, expected Na2YTi(PO4)18 to be Na2YTi(PO4)3" +mp-2715969,Na5Y2Ti2SiP5O24,-7.8092966438,-3.0259911987,0.0578904664,0.0578904664,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Y,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-Si-Ti-Y +mp-1220706,NaYTi2(SiO5)2,-8.6342663563,-3.3906723805,0.0139375153,0.0139375153,GGA,C2,AB10C2D2E_mC32_5_a_ab4c_ab_c_b:Na-O-Si-Ti-Y,16.0,AB10C2D2E_mC32_5_a_ab4c_ab_c_b:Na-O-Si-Ti-Y +mp-1178088,Li12Cr3NiP4(CO7)4,-7.2620623956,-2.3635718302,0.0684071975,0.0684071975,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Cr-Li-Ni-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Cr-Li-Ni-O-P +mp-763241,Li3Cr2P2(CO7)2,-7.6981904613,-2.3255625702,0.048102542,0.048102542,GGA+U,P1,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Cr-Li-O-P,23.0,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Cr-Li-O-P +mp-1176987,Li9Cr4P4(CO7)4,-7.5743122329,-2.4137479147,0.0356670868,0.0356670868,GGA+U,P1,A4B4C9D28E4_aP49_1_4a_4a_9a_28a_4a:C-Cr-Li-O-P,49.0,A4B4C9D28E4_aP49_1_4a_4a_9a_28a_4a:C-Cr-Li-O-P +mp-776285,Li2CrPCO7,-7.6590675323,-2.4307606839,0.012863353,0.012863353,GGA+U,P2_1,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Cr-Li-O-P,48.0,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Cr-Li-O-P +mp-25455,Li2CrPCO7,-7.6547238273,-2.4264169789,0.017207058,0.017207058,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Li-O-P,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cr-Li-O-P +mp-1177690,Li3CrPCO7,-7.36036211,-2.3873924909,0.0780590277,0.0780590277,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P +mp-1177693,Li3CrPCO7,-7.3535516265,-2.3805820075,0.0848695112,0.0848695112,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P +mp-1177696,Li3CrPCO7,-7.3598082683,-2.3868386492,0.0786128694,0.0786128694,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P +mp-1177745,Li3CrPCO7,-7.3545612935,-2.3815916744,0.0838598443,0.0838598443,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Cr-Li-O-P +mp-757179,Li3CrPCO7,-7.3544802515,-2.3815106325,0.0839408862,0.0839408862,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cr-Li-O-P,26.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cr-Li-O-P +mp-771346,Li3CrPCO7,-7.3621616496,-2.3891920305,0.0762594881,0.0762594881,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cr-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Cr-Li-O-P, expected Li5CrPCO13 to be Li3CrPCO7" +mp-25459,Li3CrPCO7,-7.3637263752,-2.3907567561,0.0746947625,0.0746947625,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Li-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cr-Li-O-P +mp-766695,Li3CrPCO7,-7.3536269085,-2.3806572894,0.0847942293,0.0847942293,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Cr-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Cr-Li-O-P, expected Li5CrPCO23 to be Li3CrPCO7" +mp-766704,Li3CrPCO7,-7.3527356056,-2.3797659865,0.0856855321,0.0856855321,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Cr-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Cr-Li-O-P, expected Li5CrPCO23 to be Li3CrPCO7" +mp-766698,Li3CrPCO7,-7.3517186927,-2.3787490736,0.086702445,0.086702445,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Cr-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Cr-Li-O-P, expected Li5CrPCO26 to be Li3CrPCO7" +mp-766706,Li3CrPCO7,-7.3521218948,-2.3791522757,0.0862992429,0.0862992429,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Cr-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Cr-Li-O-P, expected Li5CrPCO26 to be Li3CrPCO7" +mp-1177167,Li5Cr2P2(CO7)2,-7.4960742744,-2.4005427852,0.0544315422,0.0544315422,GGA+U,P1,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Cr-Li-O-P,25.0,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Cr-Li-O-P +mp-757267,Li6CrNiP2(CO7)2,-6.9372084992000005,-2.1131969875,0.2853095492,0.2853095492,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Cr-Li-Ni-O-P,26.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Cr-Li-Ni-O-P +mp-1178083,Li12CrNi3P4(CO7)4,-7.0639051331,-2.314372675,0.0506613708,0.0506613708,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Cr-Li-Ni-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Cr-Li-Ni-O-P +mp-707052,CuH12Se(NO)4,-5.096387643,-0.4854528597,0.3500684353,0.3500684353,GGA,P2_1/c,AB12C4D4E_mP88_14_e_12e_4e_4e_e:Cu-H-N-O-Se,88.0,AB12C4D4E_mP88_14_e_12e_4e_4e_e:Cu-H-N-O-Se +mp-1191835,CuH10Se2(NO5)2,-5.3347257808,-0.8883990993,0.2438673837,0.2438673837,GGA,P-1,AB10C2D10E2_aP25_2_a_5i_i_5i_i:Cu-H-N-O-Se,25.0,AB10C2D10E2_aP25_2_a_5i_i_5i_i:Cu-H-N-O-Se +mp-707509,CuH6Se2NClO6,-5.2196216753,-1.0247658078,0.0747351124,0.0747351124,GGA,Pnma,ABC6DE6F2_oP68_62_c_a_2c2d_c_3d_d:Cl-Cu-H-N-O-Se,68.0,ABC6DE6F2_oP68_62_c_a_2c2d_c_3d_d:Cl-Cu-H-N-O-Se +mp-677406,CuH12N2(Cl2O)2,-4.6600678426,-0.9089995987,0.0241162114,0.0241162114,GGA,P1,A4BC12D2E2_aP42_1_8a_2a_24a_4a_4a:Cl-Cu-H-N-O,42.0,A4BC12D2E2_aP42_1_8a_2a_24a_4a_4a:Cl-Cu-H-N-O +mp-604996,CuH12N2(Cl2O)2,-4.6706657064,-0.9195974625,0.0135183476,0.0135183476,GGA,P4_2/mnm,A4BC12D2E2_tP42_136_fg_a_jk_d_e:Cl-Cu-H-N-O,42.0,A4BC12D2E2_tP42_136_fg_a_jk_d_e:Cl-Cu-H-N-O +mp-721415,CuH12N2(Cl2O)2,-4.6664021167000005,-0.9153338727,0.0177819374,0.0177819374,GGA,P4_2/mnm,A4BC12D2E2_tP42_136_fg_a_jk_d_e:Cl-Cu-H-N-O,42.0,A4BC12D2E2_tP42_136_fg_a_jk_d_e:Cl-Cu-H-N-O +mp-703398,CuH20Se2(NO7)2,-5.311362499,-1.0838706443,0.0946177825,0.0946177825,GGA,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-Se,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-Se +mp-568590,SbCNCl5,-4.6141550944,-0.7470494747,0.1300349085,0.1300349085,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:C-Cl-N-Sb,32.0,"Invalid WP multiplicities - AB5CD_mP32_14_e_18e_e_e:C-Cl-N-Sb, expected SbCNCl18 to be SbCNCl5" +mp-29536,Ag5CF4,-3.9467699027,-0.8430337648,0.2484034519,0.2484034519,GGA,P-4,A5BC4_tP40_81_2g4h_h_4h:Ag-C-F,40.0,"Invalid WP multiplicities - A5BC4_tP40_81_2g4h_h_7h:Ag-C-F, expected Ag5CF7 to be Ag5CF4" +mp-1197166,SbN2Cl3F2,-3.7454768583,0.0258430173,1.3497759458,1.3497759458,GGA,P2_1/c,A3B2C2D_mP64_14_6e_4e_4e_2e:Cl-F-N-Sb,64.0,A3B2C2D_mP64_14_6e_4e_4e_2e:Cl-F-N-Sb +mp-1199592,Sb2C9(NCl3)3,-5.3985679209,0.3824019325,0.9597343107,0.9597343107,GGA,Pc,A9B9C3D2_mP46_7_9a_9a_3a_2a:C-Cl-N-Sb,46.0,A9B9C3D2_mP46_7_9a_9a_3a_2a:C-Cl-N-Sb +mp-1209479,SbNClF3,-4.1858630108,-0.8444513896,1.0846170299,1.0846170299,GGA,Pbca,AB3CD_oP48_61_c_3c_c_c:Cl-F-N-Sb,48.0,AB3CD_oP48_61_c_3c_c_c:Cl-F-N-Sb +mp-1189890,AgC4NCl2,-4.84313923,1.6294590473,1.9231154414,1.9231154414,GGA,Immm,AB4C2D_oI32_71_g_mn_fi_e:Ag-C-Cl-N,16.0,AB4C2D_oI32_71_g_mn_fi_e:Ag-C-Cl-N +mp-1209165,SbC2N2F5,-6.2595239295,-1.3778522383,0.2429092679,0.2429092679,GGA,C222_1,A2B5C2D_oC40_20_2a_a2c_2a_a:C-F-N-Sb,20.0,A2B5C2D_oC40_20_2a_a2c_2a_a:C-F-N-Sb +mp-570727,SbCNCl6,-4.437958285,-0.7951381053000001,0.0753919998,0.0753919998,GGA,Pnma,AB6CD_oP36_62_c_2c2d_c_c:C-Cl-N-Sb,36.0,"Invalid WP multiplicities - AB6CD_oP36_62_c_8c12d_c_c:C-Cl-N-Sb, expected SbCNCl32 to be SbCNCl6" +mp-556201,AgSbC2N2(ClF3)2,-5.4704937943,-1.3806491369,0.1423118583,0.1423118583,GGA,P2/c,AB2C2D6E2F_mP28_13_a_g_g_3g_g_c:Ag-C-Cl-F-N-Sb,28.0,"Invalid WP multiplicities - AB2C2D6E2F_mP28_13_a_g_g_8g_g_c:Ag-C-Cl-F-N-Sb, expected AgSbC2N2(ClF8)2 to be AgSbC2N2(ClF3)2" +mp-1194141,AgSbC2N2(ClF3)2,-5.4971149411,-1.4072702837,0.1156907115,0.1156907115,GGA,P2_1/c,AB2C2D6E2F_mP28_14_a_e_e_3e_e_c:Ag-C-Cl-F-N-Sb,28.0,AB2C2D6E2F_mP28_14_a_e_e_3e_e_c:Ag-C-Cl-F-N-Sb +mp-726503,SbCNCl8,-3.9010480497,-0.5844612372,0.2689992172,0.2689992172,GGA,P2_1/c,AB8CD_mP88_14_2e_16e_2e_2e:C-Cl-N-Sb,88.0,AB8CD_mP88_14_2e_16e_2e_2e:C-Cl-N-Sb +mp-650049,SbC(N3Cl2)3,-6.1426995644,-0.2910912693,0.1697776099,0.1697776099,GGA,P2_1/c,AB6C9D_mP68_14_e_6e_9e_e:C-Cl-N-Sb,68.0,"Invalid WP multiplicities - AB6C9D_mP68_14_e_20e_31e_e:C-Cl-N-Sb, expected SbCN31Cl20 to be SbC(N3Cl2)3" +mp-766700,Li12CrCo3P4(CO7)4,-7.1439119802,-2.3177536885,0.0535896658,0.0535896658,GGA+U,Pm,A4B3CD12E28F4_mP52_6_2a2b_a2b_a_2a2b4c_10a10b4c_2a2b:C-Co-Cr-Li-O-P,52.0,A4B3CD12E28F4_mP52_6_2a2b_a2b_a_2a2b4c_10a10b4c_2a2b:C-Co-Cr-Li-O-P +mp-757130,Li6CrCoP2(CO7)2,-7.2162495742,-2.3411541734,0.0636230061,0.0636230061,GGA+U,Pm,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Co-Cr-Li-O-P,52.0,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Co-Cr-Li-O-P +mp-1178129,Li12Cr3CoP4(CO7)4,-7.2868244558,-2.3627919458,0.0742481751,0.0742481751,GGA+U,Pm,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Co-Cr-Li-O-P,52.0,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Co-Cr-Li-O-P +mp-2714992,Na5La2In2P5SO24,-7.1132031034,-2.705215934,0.0770711741,0.0770711741,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:In-La-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:In-La-Na-O-P-S +mp-2714133,NaLa2In2PS5O24,-6.9803136012,-2.3656282334,0.044247953,0.044247953,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:In-La-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:In-La-Na-O-P-S +mp-2713913,Na3La2In2P3(SO8)3,-7.0658270375,-2.5600772066,0.0540988719,0.0540988719,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:In-La-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:In-La-Na-O-P-S +mp-2713624,Na2LaInP2SO12,-7.0893931511,-2.6338110018,0.068841768,0.068841768,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:In-La-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:In-La-Na-O-P-S +mp-2714524,NaLaInP(SO6)2,-7.0317905354,-2.4730859296,0.047698086,0.047698086,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:In-La-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:In-La-Na-O-P-S +mp-2716215,NaTi2Sn2P5SO24,-7.6598229757,-2.6582188469,0.0085091577,0.0085091577,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Ti,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Ti +mp-2713343,TiSnP2SO12,-7.608773367,-2.5365155266,0.0,-0.0013594115,GGA,P1,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Sn-Ti,102.0,A12B2CDE_aP102_1_72a_12a_6a_6a_6a:O-P-S-Sn-Ti +mp-2715958,Na3La2Ge2P5SO24,-7.3400169281,-2.6640942992000003,0.0972216353,0.0972216353,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-La-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-La-Na-O-P-S +mp-2712754,NaLaGeP2SO12,-7.2626716002,-2.5290671741,0.1429439156,0.1429439156,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Ge-La-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Ge-La-Na-O-P-S, expected NaLaGeP7SO60 to be NaLaGeP2SO12" +mp-2713047,LaGeP(SO6)2,-7.2296902473,-2.3705430863,0.0584049936,0.0584049936,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Ge-La-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Ge-La-O-P-S, expected LaGePS3O20 to be LaGeP(SO6)2" +mp-2716508,NaLa2Ge2P3(SO8)3,-7.2575898484,-2.4630075226,0.1052136995,0.1052136995,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ge-La-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ge-La-Na-O-P-S +mp-1197087,Mn3BPO10,-7.8580525798,-1.9216774288,0.268526484,0.268526484,GGA+U,Pnma,AB3C10D_oP60_62_c_cd_6c2d_c:B-Mn-O-P,60.0,AB3C10D_oP60_62_c_cd_6c2d_c:B-Mn-O-P +mp-1212109,Mn3BPO10,-7.6394379317,-1.7030627806,0.4871411322,0.4871411322,GGA+U,Pnma,AB3C10D_oP60_62_c_cd_6c2d_c:B-Mn-O-P,60.0,AB3C10D_oP60_62_c_cd_6c2d_c:B-Mn-O-P +mp-757046,Li3MnBPO7,-7.2871206217,-2.5480206872,0.0804270427,0.0804270427,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Li-Mn-O-P,52.0,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Li-Mn-O-P +mp-760056,Na2LiMn(PO3)5,-7.3872280838,-2.5962767526,0.0415727449,0.0415727449,GGA+U,P2_1/m,ABC2D15E5_mP48_11_e_a_f_3e6f_e2f:Li-Mn-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D15E5_mP48_11_e_a_f_5e12f_e4f:Li-Mn-Na-O-P, expected Na2LiMnP9O29 to be Na2LiMn(PO3)5" +mp-759559,Na3LiMnBPO7,-6.8566286654,-2.4453408585,0.0759815261,0.0759815261,GGA+U,P2_1/m,ABCD3E7F_mP28_11_e_a_e_ef_5ef_e:B-Li-Mn-Na-O-P,28.0,"Invalid WP multiplicities - ABCD3E7F_mP28_11_e_a_e_2ef_9e2f_e:B-Li-Mn-Na-O-P, expected Na4LiMnBPO13 to be Na3LiMnBPO7" +mp-771706,Li2MnBPO7,-7.4346931179,-2.4597450944,0.0704441821,0.0704441821,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:B-Li-Mn-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:B-Li-Mn-O-P, expected Li2MnBPO13 to be Li2MnBPO7" +mp-768579,Na2MnBPO7,-7.2754294642,-2.3982143696,0.0699508611,0.0699508611,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Mn-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Mn-Na-O-P, expected Na2MnBPO13 to be Na2MnBPO7" +mp-780414,Na6Mn2B4PO16,-7.1194919598,-2.3768343283,0.0493319914,0.0493319914,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Mn-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:B-Mn-Na-O-P, expected Na6Mn2B4PO108 to be Na6Mn2B4PO16" +mp-775876,NaLiMnP2O7,-7.4185571138,-2.5979829934,0.040037252,0.040037252,GGA+U,P1,ABCD7E2_aP24_1_2a_2a_2a_14a_4a:Li-Mn-Na-O-P,24.0,ABCD7E2_aP24_1_2a_2a_2a_14a_4a:Li-Mn-Na-O-P +mp-768574,Na3MnBPO7,-7.0997226985,-2.4959452809,0.0079231163,0.0079231163,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-P +mp-1020646,NaLi2B(PO4)2,-7.1834229339,-2.7391459696,0.0,-0.0035948404,GGA,P-1,AB2CD8E2_aP28_2_i_2i_i_8i_2i:B-Li-Na-O-P,28.0,AB2CD8E2_aP28_2_i_2i_i_8i_2i:B-Li-Na-O-P +mp-1020146,Na2LiB5(PO7)2,-7.701148425,-2.7831826217,0.0,-0.0130641278,GGA,P2_1/m,A5BC2D14E2_mP48_11_5e_e_2e_6e4f_f:B-Li-Na-O-P,48.0,A5BC2D14E2_mP48_11_5e_e_2e_6e4f_f:B-Li-Na-O-P +mp-2714517,NaLaGaP(SO6)2,-7.040831641,-2.4667707968,0.0937527704,0.0937527704,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Ga-La-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Ga-La-Na-O-P-S +mp-2714974,Na5La2Ga2P5SO24,-7.1209056288,-2.69874347,0.1043696494,0.1043696494,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-La-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ga-La-Na-O-P-S +mp-2713658,Na2LaGaP2SO12,-7.1047115606,-2.6345813959,0.1057193701,0.1057193701,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-La-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Ga-La-Na-O-P-S +mp-2713864,Na3La2Ga2P3(SO8)3,-7.0814767732,-2.5607857374,0.0920558508,0.0920558508,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ga-La-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ga-La-Na-O-P-S +mp-2714193,NaLa2Ga2PS5O24,-6.9914293109,-2.3609489549,0.0740552342,0.0740552342,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ga-La-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ga-La-Na-O-P-S +mp-557801,KBa3Ca4V7Cu3O28,-7.6015961649,-2.6172055192,0.0210590168,0.0210590168,GGA+U,P6_3mc,A3B4C3DE28F7_hP92_186_c_ac_c_b_b5c2d_b2c:Ba-Ca-Cu-K-O-V,92.0,"Invalid WP multiplicities - A3B4C3DE28F7_hP92_186_c_2ac_c_b_b27c19d_b9c:Ba-Ca-Cu-K-O-V, expected KBa3Ca5V28Cu3O196 to be KBa3Ca4V7Cu3O28" +mp-2712989,CaNbP(SO6)2,-7.5006213308,-2.4915994663,0.046154518,0.046154518,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Ca-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Ca-Nb-O-P-S, expected CaNbPS3O20 to be CaNbP(SO6)2" +mp-2713504,Ca2Nb4P6(SO12)3,-7.9434248426,-2.7005546825,0.0155941549,0.0155941549,GGA,P3c1,A2B4C36D6E3_hP102_158_ab_ab2c_12d_2d_d:Ca-Nb-O-P-S,102.0,A2B4C36D6E3_hP102_158_ab_ab2c_12d_2d_d:Ca-Nb-O-P-S +mp-2713609,Na9Ca10Nb2P3(S5O24)3,-6.8944371997000005,-2.5105671164,0.0453482422,0.0453482422,GGA,P1,A10B9C2D72E3F15_aP111_1_10a_9a_2a_72a_3a_15a:Ca-Na-Nb-O-P-S,111.0,A10B9C2D72E3F15_aP111_1_10a_9a_2a_72a_3a_15a:Ca-Na-Nb-O-P-S +mp-2713386,Na6Ca5NbP3(SO6)6,-6.9251708209,-2.5882610572,0.0509051007,0.0509051007,GGA,Cc,A5B6CD36E3F6_mC228_9_5a_6a_a_36a_3a_6a:Ca-Na-Nb-O-P-S,114.0,"Invalid WP multiplicities - A5B6CD36E3F6_mC228_9_5a_7a_a_60a_4a_9a:Ca-Na-Nb-O-P-S, expected Na7Ca5NbP4(S3O20)3 to be Na6Ca5NbP3(SO6)6" +mp-2712763,NaCaNbP2SO12,-7.5398667225,-2.6647139654,0.0988325317,0.0988325317,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Ca-Na-Nb-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_72a_12a_a:Ca-Na-Nb-O-P-S, expected NaCaNbP12SO72 to be NaCaNbP2SO12" +mp-2714279,Na3Ca8Nb4P3(S5O24)3,-7.1769821297,-2.4639741505,0.0284793744,0.0284793744,GGA,P1,A8B3C4D72E3F15_aP105_1_8a_3a_4a_72a_3a_15a:Ca-Na-Nb-O-P-S,105.0,A8B3C4D72E3F15_aP105_1_8a_3a_4a_72a_3a_15a:Ca-Na-Nb-O-P-S +mp-2714541,Na3Ca4Nb2P3(SO6)6,-7.2162380779,-2.5619420444000003,0.0508586455,0.0508586455,GGA,P3c1,A4B3C2D36E3F6_hP108_158_ab2c_abc_ab_12d_d_2d:Ca-Na-Nb-O-P-S,108.0,A4B3C2D36E3F6_hP108_158_ab2c_abc_ab_12d_d_2d:Ca-Na-Nb-O-P-S +mp-2715981,Na3Ca2Nb2P5SO24,-7.5692017725,-2.755556443,0.0844658625,0.0844658625,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Ca-Na-Nb-O-P-S,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Ca-Na-Nb-O-P-S +mp-2715056,Na15Ca8Nb4P15(SO24)3,-7.2830121013,-2.7867866909,0.0496637816,0.0496637816,GGA,P1,A8B15C4D72E15F3_aP117_1_8a_15a_4a_72a_15a_3a:Ca-Na-Nb-O-P-S,117.0,A8B15C4D72E15F3_aP117_1_8a_15a_4a_72a_15a_3a:Ca-Na-Nb-O-P-S +mp-2713890,Na9Ca8Nb4P9(SO8)9,-7.2446136839,-2.6458559775,0.0538195346,0.0538195346,GGA,P1,A8B9C4D72E9F9_aP111_1_8a_9a_4a_72a_9a_9a:Ca-Na-Nb-O-P-S,111.0,A8B9C4D72E9F9_aP111_1_8a_9a_4a_72a_9a_9a:Ca-Na-Nb-O-P-S +mp-2712982,Na21Ca10Nb2P15(SO24)3,-7.010423451,-2.8006501627,0.0262243544,0.0262243544,GGA,P1,A10B21C2D72E15F3_aP123_1_10a_21a_2a_72a_15a_3a:Ca-Na-Nb-O-P-S,123.0,A10B21C2D72E15F3_aP123_1_10a_21a_2a_72a_15a_3a:Ca-Na-Nb-O-P-S +mp-2713267,Na6Ca4Nb2P6(SO12)3,-7.2570868861,-2.7109444368,0.0643864687,0.0643864687,GGA,Cc,A4B6C2D36E6F3_mC228_9_4a_6a_2a_36a_6a_3a:Ca-Na-Nb-O-P-S,114.0,"Invalid WP multiplicities - A4B6C2D36E6F3_mC228_9_4a_7a_2a_60a_9a_4a:Ca-Na-Nb-O-P-S, expected Na7Ca4Nb2P9(SO15)4 to be Na6Ca4Nb2P6(SO12)3" +mp-2714803,Na15Ca10Nb2P9(SO8)9,-6.9591757125,-2.6668180471,0.041027419,0.041027419,GGA,P1,A10B15C2D72E9F9_aP117_1_10a_15a_2a_72a_9a_9a:Ca-Na-Nb-O-P-S,117.0,A10B15C2D72E9F9_aP117_1_10a_15a_2a_72a_9a_9a:Ca-Na-Nb-O-P-S +mp-2716210,Na3Ca4Nb8P15(SO24)3,-7.9684930278,-2.801151217,0.0295118106,0.0295118106,GGA,P1,A4B3C8D72E15F3_aP105_1_4a_3a_8a_72a_15a_3a:Ca-Na-Nb-O-P-S,105.0,A4B3C8D72E15F3_aP105_1_4a_3a_8a_72a_15a_3a:Ca-Na-Nb-O-P-S +mp-2716375,NaCa2Nb2P3(SO8)3,-7.5357331129,-2.5955582179,0.0705972368,0.0705972368,GGA,P1,A2BC2D24E3F3_aP105_1_6a_3a_6a_72a_9a_9a:Ca-Na-Nb-O-P-S,105.0,A2BC2D24E3F3_aP105_1_6a_3a_6a_72a_9a_9a:Ca-Na-Nb-O-P-S +mp-2712799,Na9Ca5NbP6(SO12)3,-6.9909504685,-2.7409172964,0.0297482205,0.0297482205,GGA,Cc,A5B9CD36E6F3_mC240_9_5a_9a_a_36a_6a_3a:Ca-Na-Nb-O-P-S,120.0,"Invalid WP multiplicities - A5B9CD36E6F3_mC240_9_5a_14a_a_72a_12a_6a:Ca-Na-Nb-O-P-S, expected Na14Ca5NbP12(SO12)6 to be Na9Ca5NbP6(SO12)3" +mp-1226437,Cr2H2Pb4ClO10F,-6.4253904785,-1.716938576,0.0,-0.0065761886,GGA+U,Pmn2_1,AB2CD2E10F4_oP40_31_a_2a_a_b_4a3b_2ab:Cl-Cr-F-H-O-Pb,40.0,"Invalid WP multiplicities - AB2CD2E10F4_oP40_31_a_3a_a_b_6a4b_3ab:Cl-Cr-F-H-O-Pb, expected Cr3H2Pb5ClO14F to be Cr2H2Pb4ClO10F" +mp-1212525,HPb3Cl4OF,-4.08209689,-1.2037987326,0.4954433315,0.4954433315,GGA,P-1,A4BCDE3_aP20_2_4i_i_i_i_3i:Cl-F-H-O-Pb,20.0,A4BCDE3_aP20_2_4i_i_i_i_3i:Cl-F-H-O-Pb +mp-1212643,HPb3Cl4OF,-4.0833276182,-1.2050294609,0.4942126033,0.4942126033,GGA,P2_1/c,A4BCDE3_mP40_14_4e_e_e_e_3e:Cl-F-H-O-Pb,40.0,A4BCDE3_mP40_14_4e_e_e_e_3e:Cl-F-H-O-Pb +mp-1147551,KCuTeO6,-5.4671007611,-1.241207008,0.0,-0.0047359975,GGA,P312,ABC6D_hP9_149_a_d_l_e:Cu-K-O-Te,9.0,ABC6D_hP9_149_a_d_l_e:Cu-K-O-Te +mp-560601,K2CuS(ClO2)2,-5.2885656065,-1.8945373469,0.0,-0.0244659173,GGA,Pnma,A2BC2D4E_oP40_62_2c_c_2c_2cd_c:Cl-Cu-K-O-S,40.0,"Invalid WP multiplicities - A2BC2D4E_oP40_62_5c_c_5c_6c5d_c:Cl-Cu-K-O-S, expected K5CuSCl5O16 to be K2CuS(ClO2)2" +mp-555595,KCu3S2ClO9,-5.8172382317,-1.5641348722,0.0125408816,0.0125408816,GGA,Pna2_1,AB3CD9E2_oP64_33_a_3a_a_9a_2a:Cl-Cu-K-O-S,64.0,"Invalid WP multiplicities - AB3CD9E2_oP64_33_a_10a_a_34a_5a:Cl-Cu-K-O-S, expected KCu10S5ClO34 to be KCu3S2ClO9" +mp-1194684,K2Cu5TeS3O19,-5.8735060635,-1.4649536551,0.0782348576,0.0782348576,GGA,P2_1/m,A5B2C19D3E_mP60_11_a2f_be_5e7f_ef_e:Cu-K-O-S-Te,60.0,A5B2C19D3E_mP60_11_a2f_be_5e7f_ef_e:Cu-K-O-S-Te +mp-1191495,K2CuTeO7,-5.1407695732,-1.1325758063,0.199943353,0.199943353,GGA,Cc,AB2C7D_mC44_9_a_2a_7a_a:Cu-K-O-Te,22.0,AB2C7D_mC44_9_a_2a_7a_a:Cu-K-O-Te +mp-1190646,K2CuTeO7,-5.1394684482,-1.1312746813,0.201244478,0.201244478,GGA,C2/c,AB2C7D_mC44_15_a_f_e3f_c:Cu-K-O-Te,22.0,AB2C7D_mC44_15_c_f_e3f_a:Cu-K-O-Te +mp-653840,KCu7TeS5ClO24,-5.9880146874,-1.5213616978,0.0,-0.0104807827,GGA,P4/ncc,AB7CD24E5F_tP156_130_c_cdg_a_6g_bg_c:Cl-Cu-K-O-S-Te,156.0,"Invalid WP multiplicities - AB7CD24E5F_tP156_130_c_3c7d10g_a_83g_4b5g_c:Cl-Cu-K-O-S-Te, expected KCu57TeS24ClO332 to be KCu7TeS5ClO24" +mp-1193713,K2TeSO10,-5.3781124896,-1.1661524349,0.3567637276,0.3567637276,GGA,P-1,A2B10CD_aP28_2_2i_10i_i_be:K-O-S-Te,28.0,A2B10CD_aP28_2_2i_10i_i_be:K-O-S-Te +mp-1224553,K8Cu9S8(ClO18)2,-5.9083576708,-1.7711272348,0.009518585,0.009518585,GGA,P1,A2B9C8D36E8_aP63_1_2a_9a_8a_36a_8a:Cl-Cu-K-O-S,63.0,A2B9C8D36E8_aP63_1_2a_9a_8a_36a_8a:Cl-Cu-K-O-S +mp-690560,TiTlWO5F,-8.1287809628,-2.588648972,0.0,-0.0099450951,GGA+U,Ima2,AB5CDE_oI36_46_b_b2c_b_b_a:F-O-Ti-Tl-W,18.0,"Invalid WP multiplicities - AB5CDE_oI36_46_b_2b4c_b_b_a:F-O-Ti-Tl-W, expected TiTlWO10F to be TiTlWO5F" +mp-631374,TiTl2W,-5.6010228600000005,0.7937042750000001,0.8037247858000001,0.8037247858000001,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ti-Tl-W,4.0,AB2C_cF16_225_a_c_b:Ti-Tl-W +mp-2231018,MgTi2Tl2W2(O5F)2,-7.8284722653,-2.4957009029,0.1693633765,0.1693633765,GGA+U,P1,A2BC10D2E2F2_aP19_1_2a_a_10a_2a_2a_2a:F-Mg-O-Ti-Tl-W,19.0,A2BC10D2E2F2_aP19_1_2a_a_10a_2a_2a_2a:F-Mg-O-Ti-Tl-W +mp-2230838,MgTi2Tl2W2(O5F)2,-7.8021821263,-2.469410764,0.1956535154,0.1956535154,GGA+U,C2,A2BC10D2E2F2_mC38_5_c_a_5c_c_c_ab:F-Mg-O-Ti-Tl-W,19.0,"Invalid WP multiplicities - A2BC10D2E2F2_mC38_5_c_a_10c_c_c_ab:F-Mg-O-Ti-Tl-W, expected MgTi2Tl2W2(O10F)2 to be MgTi2Tl2W2(O5F)2" +mp-2230484,MgTi2Tl2W2(O5F)2,-7.8307571974,-2.497985835,0.1670784444,0.1670784444,GGA+U,Cm,A2BC10D2E2F2_mC38_8_2a_a_2a4b_2a_2a_b:F-Mg-O-Ti-Tl-W,19.0,A2BC10D2E2F2_mC38_8_2a_a_2a4b_2a_2a_b:F-Mg-O-Ti-Tl-W +mp-2230812,MgTi2Tl2W2(O5F)2,-7.8220522116,-2.4892808493,0.1757834302,0.1757834302,GGA+U,Cm,A2BC10D2E2F2_mC38_8_2a_a_2a4b_2a_2a_b:F-Mg-O-Ti-Tl-W,19.0,A2BC10D2E2F2_mC38_8_2a_a_2a4b_2a_2a_b:F-Mg-O-Ti-Tl-W +mp-772717,NaLi2FePCO7,-7.1476309444,-2.310770851,0.038669874,0.038669874,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-772718,NaLi2FePCO7,-7.1448941275,-2.3080340341,0.041406691,0.041406691,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-771007,NaLi2FePCO7,-7.1498792823,-2.3130191889,0.0364215362,0.0364215362,GGA+U,P1,ABC2DE7F_aP26_1_2a_2a_4a_2a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - ABC2DE7F_aP26_1_2a_4a_4a_2a_14a_2a:C-Fe-Li-Na-O-P, expected NaLi2Fe2PCO7 to be NaLi2FePCO7" +mp-1101482,NaLi2FePCO7,-7.1480746265,-2.3112145331,0.0382261919,0.0382261919,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-1101703,NaLi2FePCO7,-7.147423315,-2.3105632216,0.0388775035,0.0388775035,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-1101716,NaLi2FePCO7,-7.14783835,-2.3109782566,0.0384624685,0.0384624685,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-772927,NaLi2FePCO7,-7.1497857946,-2.3129257012,0.0365150238,0.0365150238,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P +mp-1667139,NaLi2FePCO7,-7.1605157594,-2.323655666,0.025785059,0.025785059,GGA+U,P1,ABC2DE7F_aP52_1_4a_4a_8a_4a_28a_4a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - ABC2DE7F_aP52_2_4i_3i_8i_4i_28i_4i:C-Fe-Li-Na-O-P, expected Na4Li8Fe3P4(CO7)4 to be NaLi2FePCO7" +mp-756248,NaLi2FePCO7,-7.1621199073,-2.3252598139,0.0241809112,0.0241809112,GGA+U,P-1,ABC2DE7F_aP26_2_i_i_2i_i_7i_i:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_aP26_2_i_i_2i_i_7i_i:C-Fe-Li-Na-O-P +mp-770772,NaLi2FePCO7,-7.1607684896,-2.3239083962,0.0255323288,0.0255323288,GGA+U,P2_1,ABC2DE7F_mP26_4_a_a_2a_a_7a_a:C-Fe-Li-Na-O-P,52.0,ABC2DE7F_mP26_4_a_a_2a_a_7a_a:C-Fe-Li-Na-O-P +mp-778673,Na4Fe2P(CO4)4,-7.2835991624,-1.9611870346,0.0580321859,0.0580321859,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Fe-Na-O-P,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Fe-Na-O-P, expected Na10Fe2P(CO21)4 to be Na4Fe2P(CO4)4" +mp-780786,Na6Fe2P(CO4)4,-7.071420765,-2.0248629016,0.0773501342,0.0773501342,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Fe-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Fe-Na-O-P, expected Na6Fe2P(CO27)4 to be Na6Fe2P(CO4)4" +mp-766788,Li3FePCO7,-7.2121882819,-2.3302206829,0.0533112362,0.0533112362,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P +mp-766818,Li3FePCO7,-7.2142809073,-2.3323133082,0.0512186108,0.0512186108,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P +mp-1177667,Li3FePCO7,-7.2149910792,-2.3330234802,0.0505084388,0.0505084388,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P,52.0,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:C-Fe-Li-O-P +mp-754987,Li3FePCO7,-7.2275942052,-2.3456266061,0.0379053129,0.0379053129,GGA+U,P-1,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-Li-O-P,52.0,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-Li-O-P +mp-754968,Li3FePCO7,-7.2193466002,-2.3373790011,0.0461529179,0.0461529179,GGA+U,P-1,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-Li-O-P,52.0,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-Li-O-P +mp-752696,Li3FePCO7,-7.2248580823,-2.3428904832,0.0406414358,0.0406414358,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Fe-Li-O-P, expected Li5FePCO13 to be Li3FePCO7" +mp-757108,Li3FePCO7,-7.2079833977,-2.3260157986,0.0575161204,0.0575161204,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Li-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Li-O-P +mp-771344,Li3FePCO7,-7.2196702587,-2.3377026596,0.0458292594,0.0458292594,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Li-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Li-O-P +mp-768937,Li3FePCO7,-7.1604938769,-2.2785262779,0.1050056412,0.1050056412,GGA+U,Pm,ABC3D7E_mP26_6_ab_ab_3c_5a5b2c_ab:C-Fe-Li-O-P,26.0,ABC3D7E_mP26_6_ab_ab_3c_5a5b2c_ab:C-Fe-Li-O-P +mp-25445,Li3FePCO7,-7.2255626002,-2.3435950011,0.0399369179,0.0399369179,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Li-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Li-O-P +mp-766699,Li3FePCO7,-7.2024303367,-2.3204627377,0.0630691813,0.0630691813,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Fe-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Fe-Li-O-P, expected Li5FePCO26 to be Li3FePCO7" +mp-766685,Li3FePCO7,-7.2037046219,-2.3217370229,0.0617948962,0.0617948962,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Fe-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_26e_e:C-Fe-Li-O-P, expected Li5FePCO26 to be Li3FePCO7" +mp-766696,Li3FePCO7,-7.2029706496,-2.3210030505,0.0625288685,0.0625288685,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Fe-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Fe-Li-O-P, expected Li5FePCO23 to be Li3FePCO7" +mp-766624,Li3FePCO7,-7.2044853254,-2.3225177263,0.0610141927,0.0610141927,GGA+U,P2_1/c,ABC3D7E_mP52_14_e_e_3e_7e_e:C-Fe-Li-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_14_e_e_5e_23e_e:C-Fe-Li-O-P, expected Li5FePCO23 to be Li3FePCO7" +mp-755283,Li3FePCO7,-7.1922090969,-2.3102414979,0.0732904212,0.0732904212,GGA+U,Pmn2_1,ABC3D7E_oP26_31_a_a_ab_5ab_a:C-Fe-Li-O-P,52.0,ABC3D7E_oP26_31_a_a_ab_5ab_a:C-Fe-Li-O-P +mp-768652,Li3Fe2P2(CO7)2,-7.4278503393,-2.1580942969,0.0647852495,0.0647852495,GGA+U,P1,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Fe-Li-O-P,46.0,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Fe-Li-O-P +mp-756197,Li3Fe2P2(CO7)2,-7.4487696617,-2.1790136193,0.0438659271,0.0438659271,GGA+U,P1,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Fe-Li-O-P,23.0,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Fe-Li-O-P +mp-1177738,Li3Fe2P2(CO7)2,-7.4086296967,-2.1388736543,0.0840058921,0.0840058921,GGA+U,P1,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Fe-Li-O-P,46.0,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Fe-Li-O-P +mp-768593,Li3Fe2P2(CO7)2,-7.4508395307,-2.1810834882,0.0417960582,0.0417960582,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_4i_4i_5i_28i_4i:C-Fe-Li-O-P, expected Li5Fe4P4(CO7)4 to be Li3Fe2P2(CO7)2" +mp-768623,Li3Fe2P2(CO7)2,-7.4503993183,-2.1806432758,0.0422362705,0.0422362705,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_4i_5i_28i_4i:C-Fe-Li-O-P, expected Li5Fe4P4C3O28 to be Li3Fe2P2(CO7)2" +mp-768653,Li3Fe2P2(CO7)2,-7.4499857235,-2.1802296811,0.0426498653,0.0426498653,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_4i_5i_27i_4i:C-Fe-Li-O-P, expected Li5Fe4P4(CO9)3 to be Li3Fe2P2(CO7)2" +mp-1177673,Li3Fe2P2(CO7)2,-7.4484393976,-2.1786833552,0.0441961912,0.0441961912,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_3i_5i_27i_3i:C-Fe-Li-O-P, expected Li5Fe3P3(CO9)3 to be Li3Fe2P2(CO7)2" +mp-768618,Li3Fe2P2(CO7)2,-7.44832644,-2.1785703976,0.0443091488,0.0443091488,GGA+U,P2_1,A2B2C3D14E2_mP46_4_2a_2a_3a_14a_2a:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_4_3a_3a_5a_27a_3a:C-Fe-Li-O-P, expected Li5Fe3P3(CO9)3 to be Li3Fe2P2(CO7)2" +mp-768557,Li3Fe2P2(CO7)2,-7.4472074578,-2.1774514154,0.045428131,0.045428131,GGA+U,Pc,A2B2C3D14E2_mP46_7_2a_2a_3a_14a_2a:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_7_2a_2a_3a_26a_2a:C-Fe-Li-O-P, expected Li3Fe2P2(CO13)2 to be Li3Fe2P2(CO7)2" +mp-1177718,Li3Fe2P2(CO7)2,-7.4465153763,-2.1767593339,0.0461202125,0.0461202125,GGA+U,Pc,A2B2C3D14E2_mP46_7_2a_2a_3a_14a_2a:C-Fe-Li-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_7_2a_2a_3a_25a_2a:C-Fe-Li-O-P, expected Li3Fe2P2C2O25 to be Li3Fe2P2(CO7)2" +mp-1200792,FeP4(C2O5)2,-7.4806815655,-1.3488510224,0.5573654934,0.5573654934,GGA+U,P2_1/c,A4BC10D4_mP76_14_4e_e_10e_4e:C-Fe-O-P,76.0,A4BC10D4_mP76_14_4e_e_10e_4e:C-Fe-O-P +mp-768077,Na2FePCO7,-7.2765654144,-2.2445770165,0.0130150215,-0.018422646,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-768081,Na2FePCO7,-7.2757714729,-2.243783075,0.0138089629,-0.0176287046,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-774717,Na2FePCO7,-7.2754405796,-2.2434521817,0.0141398562,-0.0172978112,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-769515,Na2FePCO7,-7.2750776948,-2.2430892969,0.014502741,-0.0169349265,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-774705,Na2FePCO7,-7.2714885044,-2.2395001065,0.0180919315,-0.013345736,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-1176405,Na2FePCO7,-7.2751837031,-2.2431953052,0.0143967327,-0.0170409348,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-1176442,Na2FePCO7,-7.2687210988,-2.2367327008,0.0208593371,-0.0105783304,GGA+U,P1,ABC2D7E_aP72_1_6a_6a_12a_42a_6a:C-Fe-Na-O-P,72.0,ABC2D7E_aP72_1_6a_6a_12a_42a_6a:C-Fe-Na-O-P +mp-1176445,Na2FePCO7,-7.2733299437,-2.2413415458,0.0162504921,-0.0151871754,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Na-O-P +mp-774816,Na2FePCO7,-7.2676470715,-2.2356586736,0.0219333643,-0.0095043032,GGA+U,P1,ABC2D7E_aP72_1_6a_6a_12a_42a_6a:C-Fe-Na-O-P,,ABC2D7E_aP72_1_6a_6a_12a_42a_6a:C-Fe-Na-O-P +mp-754463,Na2FePCO7,-7.2829052523,-2.2509168544,0.0066751835,-0.024762484,GGA+U,P-1,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Na-O-P,48.0,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Na-O-P +mp-769506,Na2FePCO7,-7.2733085381,-2.2413201402,0.0162718977,-0.0151657698,GGA+U,P-1,ABC2D7E_aP48_2_2i_2i_4i_14i_2i:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_aP48_2_3i_3i_7i_28i_4i:C-Fe-Na-O-P, expected Na7Fe3P4C3O28 to be Na2FePCO7" +mp-774499,Na2FePCO7,-7.2776132735,-2.2456248756,0.0119671623,-0.0194705052,GGA+U,P2_1,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Fe-Na-O-P,48.0,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Fe-Na-O-P +mp-1176603,Na2FePCO7,-7.2701149219,-2.238126524,0.019465514,-0.0119721535,GGA+U,Cm,ABC2D7E_mC96_8_2ab_2ab_2a3b_10a9b_2ab:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mC96_8_2ab_2ab_2a3b_10a10b_2ab:C-Fe-Na-O-P, expected Na4Fe2P2C2O15 to be Na2FePCO7" +mp-1176399,Na2FePCO7,-7.2895804358,-2.2575920379,0.0,-0.0314376675,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Fe-Na-O-P, expected Na2FePCO13 to be Na2FePCO7" +mp-767960,Na2FePCO7,-7.2733430715,-2.2413546736,0.0162373644,-0.0152003031,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_5e_25e_e:C-Fe-Na-O-P, expected Na5FePCO25 to be Na2FePCO7" +mp-768042,Na2FePCO7,-7.2743065608,-2.2423181629,0.015273875,-0.0161637925,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_16e_e:C-Fe-Na-O-P, expected Na3FePCO16 to be Na2FePCO7" +mp-768053,Na2FePCO7,-7.2770074794,-2.2450190815,0.0125729565,-0.018864711,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_5e_25e_e:C-Fe-Na-O-P, expected Na5FePCO25 to be Na2FePCO7" +mp-768094,Na2FePCO7,-7.2754444398,-2.2434560419,0.014135996,-0.0173016715,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_16e_e:C-Fe-Na-O-P, expected Na3FePCO16 to be Na2FePCO7" +mp-768108,Na2FePCO7,-7.2741977485,-2.2422093506,0.0153826873,-0.0160549802,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Na-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_15e_e:C-Fe-Na-O-P, expected Na3FePCO15 to be Na2FePCO7" +mp-772851,Na3Li3Fe2P2(CO7)2,-7.1165840144,-2.3022776738,0.0301174542,0.0301174542,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-772931,Na3Li3Fe2P2(CO7)2,-7.1172644433,-2.3029581026,0.0294370254,0.0294370254,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-755665,Na3Li3Fe2P2(CO7)2,-7.1210069917,-2.3067006511,0.0256944769,0.0256944769,GGA+U,P1,A2B2C3D3E14F2_aP26_1_2a_2a_3a_3a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C3D3E14F2_aP26_1_2a_4a_3a_3a_14a_2a:C-Fe-Li-Na-O-P, expected Na3Li3Fe4P2(CO7)2 to be Na3Li3Fe2P2(CO7)2" +mp-771006,Na3Li3Fe2P2(CO7)2,-7.1219777998,-2.3076714592,0.0247236688,0.0247236688,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-771022,Na3Li3Fe2P2(CO7)2,-7.1165355535,-2.3022292128,0.0301659152,0.0301659152,GGA+U,P1,A2B2C3D3E14F2_aP26_1_2a_2a_3a_3a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C3D3E14F2_aP26_1_2a_4a_3a_3a_14a_2a:C-Fe-Li-Na-O-P, expected Na3Li3Fe4P2(CO7)2 to be Na3Li3Fe2P2(CO7)2" +mp-776731,Na3Li3Fe2P2(CO7)2,-7.1119812094,-2.2976748688,0.0347202592,0.0347202592,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-1176351,Na3Li3Fe2P2(CO7)2,-7.1220841562,-2.3077778155,0.0246173125,0.0246173125,GGA+U,P1,A2B2C3D3E14F2_aP26_1_2a_2a_3a_3a_14a_2a:C-Fe-Li-Na-O-P,26.0,A2B2C3D3E14F2_aP26_1_2a_2a_3a_3a_14a_2a:C-Fe-Li-Na-O-P +mp-1176354,Na3Li3Fe2P2(CO7)2,-7.1198597073,-2.3055533667,0.0268417613,0.0268417613,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-1176362,Na3Li3Fe2P2(CO7)2,-7.117209719,-2.3029033784,0.0294917496,0.0294917496,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-1176364,Na3Li3Fe2P2(CO7)2,-7.1147905369,-2.3004841963,0.0319109317,0.0319109317,GGA+U,P1,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C3D3E14F2_aP52_1_4a_4a_6a_6a_28a_4a:C-Fe-Li-Na-O-P +mp-773122,Na2LiFePCO7,-6.9702509713000005,-2.1784983835,0.1368511475,0.1368511475,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-773033,Na2LiFePCO7,-7.0818915788,-2.290138991,0.02521054,0.02521054,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-772930,Na2LiFePCO7,-7.0830708733,-2.2913182855,0.0240312456,0.0240312456,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-1176381,Na2LiFePCO7,-7.0861171473,-2.2943645595,0.0209849715,0.0209849715,GGA+U,P1,ABCD2E7F_aP26_1_2a_2a_2a_4a_14a_2a:C-Fe-Li-Na-O-P,26.0,ABCD2E7F_aP26_1_2a_2a_2a_4a_14a_2a:C-Fe-Li-Na-O-P +mp-1176392,Na2LiFePCO7,-7.0862209367,-2.2944683489,0.0208811821,0.0208811821,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-1176400,Na2LiFePCO7,-7.0861509758,-2.294398388,0.0209511431,0.0209511431,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-1176411,Na2LiFePCO7,-7.086197536,-2.2944449482,0.0209045829,0.0209045829,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Fe-Li-Na-O-P +mp-772544,Na2LiFePCO7,-7.0808402242,-2.2890876364,0.0262618946,0.0262618946,GGA+U,Pc,ABCD2E7F_mP52_7_2a_2a_2a_4a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - ABCD2E7F_mP52_7_2a_2a_2a_5a_20a_2a:C-Fe-Li-Na-O-P, expected Na5Li2Fe2P2(CO10)2 to be Na2LiFePCO7" +mp-1644889,Na5Fe2P2(CO7)2,-7.1410761868,-2.2574663131,0.0124322004,0.0124322004,GGA+U,P1,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Na-O-P,50.0,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Na-O-P +mp-1666747,Na5Fe2P2(CO7)2,-7.138177214,-2.2545673403,0.0153311732,0.0153311732,GGA+U,P1,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Na-O-P,50.0,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Na-O-P +mp-770394,Na5Fe2P2(CO7)2,-7.143986203,-2.2603763293,0.0095221842,0.0095221842,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_9i_27i_3i:C-Fe-Na-O-P, expected Na3FePCO9 to be Na5Fe2P2(CO7)2" +mp-770837,Na5Fe2P2(CO7)2,-7.1431705956,-2.2595607219,0.0103377916,0.0103377916,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_9i_28i_4i:C-Fe-Na-O-P, expected Na9Fe3P4C3O28 to be Na5Fe2P2(CO7)2" +mp-1176345,Na5Fe2P2(CO7)2,-7.1424194892,-2.2588096155,0.011088898,0.011088898,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,A2B2C5D14E2_aP50_2_4i_4i_10i_28i_4i:C-Fe-Na-O-P +mp-1176347,Na5Fe2P2(CO7)2,-7.1471276312,-2.2635177575,0.006380756,0.006380756,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_4i_10i_27i_3i:C-Fe-Na-O-P, expected Na10Fe4P3C4O27 to be Na5Fe2P2(CO7)2" +mp-1176348,Na5Fe2P2(CO7)2,-7.1444085072,-2.2607986335,0.00909988,0.00909988,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_4i_10i_27i_3i:C-Fe-Na-O-P, expected Na10Fe4P3(CO9)3 to be Na5Fe2P2(CO7)2" +mp-1176648,Na5Fe2P2(CO7)2,-7.1480484402,-2.2644385665,0.005459947,0.005459947,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_3i_9i_28i_4i:C-Fe-Na-O-P, expected Na9Fe3P4(CO7)4 to be Na5Fe2P2(CO7)2" +mp-759323,Na5Fe2P2(CO7)2,-7.14028796,-2.2566780863,0.0132204272,0.0132204272,GGA+U,P2_1,A2B2C5D14E2_mP50_4_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,A2B2C5D14E2_mP50_4_4a_4a_10a_28a_4a:C-Fe-Na-O-P +mp-769488,Na5Fe2P2(CO7)2,-7.143279865,-2.2596699913,0.0102285222,0.0102285222,GGA+U,P2_1,A2B2C5D14E2_mP50_4_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_4_3a_3a_9a_27a_3a:C-Fe-Na-O-P, expected Na3FePCO9 to be Na5Fe2P2(CO7)2" +mp-774790,Na5Fe2P2(CO7)2,-7.1340866954,-2.2504768217,0.0194216918,0.0194216918,GGA+U,P2_1,A2B2C5D14E2_mP50_4_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_4_3a_3a_10a_27a_3a:C-Fe-Na-O-P, expected Na10Fe3P3(CO9)3 to be Na5Fe2P2(CO7)2" +mp-777585,Na5Fe2P2(CO7)2,-7.1489112234,-2.2653013497,0.0045971638,0.0045971638,GGA+U,Pm,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Fe-Na-O-P,50.0,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Fe-Na-O-P +mp-769456,Na5Fe2P2(CO7)2,-7.1363096406,-2.2526997669,0.0171987466,0.0171987466,GGA+U,Pc,A2B2C5D14E2_mP50_7_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_7_2a_2a_6a_16a_2a:C-Fe-Na-O-P, expected Na3FePCO8 to be Na5Fe2P2(CO7)2" +mp-769494,Na5Fe2P2(CO7)2,-7.1355498132,-2.2519399395,0.017958574,0.017958574,GGA+U,Pc,A2B2C5D14E2_mP50_7_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_7_2a_2a_6a_17a_2a:C-Fe-Na-O-P, expected Na6Fe2P2C2O17 to be Na5Fe2P2(CO7)2" +mp-774659,Na5Fe2P2(CO7)2,-7.1374243642,-2.2538144905,0.016084023,0.016084023,GGA+U,Pc,A2B2C5D14E2_mP50_7_2a_2a_5a_14a_2a:C-Fe-Na-O-P,50.0,A2B2C5D14E2_mP50_7_4a_4a_10a_28a_4a:C-Fe-Na-O-P +mp-756740,Li5Fe2P2(CO7)2,-7.3160693084,-2.31517992,0.029304801,0.029304801,GGA+U,P1,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Fe-Li-O-P,25.0,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Fe-Li-O-P +mp-756326,Li5Fe2P2(CO7)2,-7.3116489598,-2.3107595714,0.0337251496,0.0337251496,GGA+U,P1,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP25_1_2a_4a_5a_14a_2a:C-Fe-Li-O-P, expected Li5Fe4P2(CO7)2 to be Li5Fe2P2(CO7)2" +mp-770138,Li5Fe2P2(CO7)2,-7.3128447468,-2.3119553584,0.0325293626,0.0325293626,GGA+U,P1,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Li-O-P,50.0,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Fe-Li-O-P +mp-768672,Li5Fe2P2(CO7)2,-7.3117068138,-2.3108174254,0.0336672956,0.0336672956,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_10i_27i_3i:C-Fe-Li-O-P, expected Li10Fe3P3(CO9)3 to be Li5Fe2P2(CO7)2" +mp-768722,Li5Fe2P2(CO7)2,-7.315062864,-2.3141734756,0.0303112454,0.0303112454,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_10i_28i_4i:C-Fe-Li-O-P, expected Li10Fe3P4C3O28 to be Li5Fe2P2(CO7)2" +mp-768720,Li5Fe2P2(CO7)2,-7.3148514008,-2.3139620124,0.0305227086,0.0305227086,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_3i_10i_28i_3i:C-Fe-Li-O-P, expected Li10Fe3P3(CO7)4 to be Li5Fe2P2(CO7)2" +mp-768862,Li5Fe2P2(CO7)2,-7.3133322832,-2.3124428948,0.0320418262,0.0320418262,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_10i_27i_3i:C-Fe-Li-O-P, expected Li10Fe3P3(CO9)3 to be Li5Fe2P2(CO7)2" +mp-1177151,Li5Fe2P2(CO7)2,-7.3166434296,-2.3157540412,0.0287306798,0.0287306798,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_2i_8i_28i_2i:C-Fe-Li-O-P, expected Li4FeP(CO7)2 to be Li5Fe2P2(CO7)2" +mp-1177175,Li5Fe2P2(CO7)2,-7.3093060474,-2.308416659,0.036068062,0.036068062,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_3i_9i_27i_3i:C-Fe-Li-O-P, expected Li9Fe3P3C4O27 to be Li5Fe2P2(CO7)2" +mp-768667,Li5Fe2P2(CO7)2,-7.311597524,-2.3107081356,0.0337765854,0.0337765854,GGA+U,P2_1,A2B2C5D14E2_mP50_4_2a_2a_5a_14a_2a:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_4_3a_3a_9a_27a_3a:C-Fe-Li-O-P, expected Li3FePCO9 to be Li5Fe2P2(CO7)2" +mp-754554,Li5Fe2P2(CO7)2,-7.3019917328,-2.3011023444,0.0433823766,0.0433823766,GGA+U,Pm,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Fe-Li-O-P,25.0,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Fe-Li-O-P +mp-768689,Li5Fe2P2(CO7)2,-7.3066042546,-2.3057148662,0.0387698548,0.0387698548,GGA+U,Pc,A2B2C5D14E2_mP50_7_2a_2a_5a_14a_2a:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_7_2a_2a_6a_26a_2a:C-Fe-Li-O-P, expected Li3FePCO13 to be Li5Fe2P2(CO7)2" +mp-1177155,Li5Fe2P2(CO7)2,-7.3067793266,-2.3058899382,0.0385947828,0.0385947828,GGA+U,Pc,A2B2C5D14E2_mP50_7_2a_2a_5a_14a_2a:C-Fe-Li-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_7_2a_2a_6a_25a_2a:C-Fe-Li-O-P, expected Li6Fe2P2C2O25 to be Li5Fe2P2(CO7)2" +mp-768938,Na5LiFe2P2(CO7)2,-7.0572732862,-2.2880744512,0.0102294829,0.0102294829,GGA+U,P1,A2B2CD5E14F2_aP26_1_2a_2a_a_5a_14a_2a:C-Fe-Li-Na-O-P,26.0,A2B2CD5E14F2_aP26_1_2a_2a_a_5a_14a_2a:C-Fe-Li-Na-O-P +mp-1176343,Na5LiFe2P2(CO7)2,-7.053036066,-2.283837231,0.0144667031,0.0144667031,GGA+U,P1,A2B2CD5E14F2_aP52_1_4a_4a_2a_10a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2CD5E14F2_aP52_1_4a_4a_2a_10a_28a_4a:C-Fe-Li-Na-O-P +mp-1176585,Na5LiFe2P2(CO7)2,-7.0541921144,-2.2849932794,0.0133106546,0.0133106546,GGA+U,P1,A2B2CD5E14F2_aP52_1_4a_4a_2a_10a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2CD5E14F2_aP52_1_4a_4a_2a_10a_28a_4a:C-Fe-Li-Na-O-P +mp-772306,Na5LiFe2P2(CO7)2,-7.0539394935,-2.2847406585,0.0135632756,0.0135632756,GGA+U,P-1,A2B2CD5E14F2_aP52_2_2i_2i_i_5i_14i_2i:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2CD5E14F2_aP52_2_4i_4i_i_10i_28i_4i:C-Fe-Li-Na-O-P, expected Na10LiFe4P4(CO7)4 to be Na5LiFe2P2(CO7)2" +mp-772670,Na5LiFe2P2(CO7)2,-7.0542590115,-2.2850601765,0.0132437575,0.0132437575,GGA+U,P-1,A2B2CD5E14F2_aP52_2_2i_2i_i_5i_14i_2i:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2CD5E14F2_aP52_2_3i_3i_i_9i_27i_3i:C-Fe-Li-Na-O-P, expected Na9LiFe3P3(CO9)3 to be Na5LiFe2P2(CO7)2" +mp-772514,Na5LiFe2P2(CO7)2,-7.0538707313,-2.2846718964,0.0136320377,0.0136320377,GGA+U,P2_1,A2B2CD5E14F2_mP52_4_2a_2a_a_5a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2CD5E14F2_mP52_4_4a_4a_a_10a_28a_4a:C-Fe-Li-Na-O-P, expected Na10LiFe4P4(CO7)4 to be Na5LiFe2P2(CO7)2" +mp-772536,Na5LiFe2P2(CO7)2,-7.0540090048,-2.2848101698,0.0134937642,0.0134937642,GGA+U,P2_1,A2B2CD5E14F2_mP52_4_2a_2a_a_5a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2CD5E14F2_mP52_4_3a_3a_a_9a_27a_3a:C-Fe-Li-Na-O-P, expected Na9LiFe3P3(CO9)3 to be Na5LiFe2P2(CO7)2" +mp-755968,Na5LiFe2P2(CO7)2,-7.0579989146,-2.2888000796,0.0095038544,0.0095038544,GGA+U,Pm,A2B2CD5E14F2_mP26_6_ab_ab_a_b2c_5a5b2c_ab:C-Fe-Li-Na-O-P,26.0,A2B2CD5E14F2_mP26_6_ab_ab_a_b2c_5a5b2c_ab:C-Fe-Li-Na-O-P +mp-772294,Na5LiFe2P2(CO7)2,-7.0539186946,-2.2847198596,0.0135840744,0.0135840744,GGA+U,Pc,A2B2CD5E14F2_mP52_7_2a_2a_a_5a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2CD5E14F2_mP52_7_2a_2a_a_6a_20a_2a:C-Fe-Li-Na-O-P, expected Na6LiFe2P2(CO10)2 to be Na5LiFe2P2(CO7)2" +mp-769570,Na3Fe2P(CO4)4,-7.3474526479,-1.8711987188,0.0882004266,0.0882004266,GGA+U,Fdd2,A4B2C3D16E_oF208_43_2b_b_ab_8b_a:C-Fe-Na-O-P,52.0,"Invalid WP multiplicities - A4B2C3D16E_oF208_43_4b_b_ab_20b_a:C-Fe-Na-O-P, expected Na3Fe2P(CO5)8 to be Na3Fe2P(CO4)4" +mp-773801,NaLi5Fe2P2(CO7)2,-7.1765507354,-2.3171368891,0.0493494329,0.0493494329,GGA+U,P1,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P +mp-1101651,NaLi5Fe2P2(CO7)2,-7.1775762702,-2.3181624239,0.0483238981,0.0483238981,GGA+U,P1,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P +mp-1101665,NaLi5Fe2P2(CO7)2,-7.1839466887,-2.3245328424,0.0419534796,0.0419534796,GGA+U,P1,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P,52.0,A2B2C5DE14F2_aP52_1_4a_4a_10a_2a_28a_4a:C-Fe-Li-Na-O-P +mp-772293,NaLi5Fe2P2(CO7)2,-7.1851833985,-2.3257695522,0.0407167698,0.0407167698,GGA+U,P-1,A2B2C5DE14F2_aP52_2_2i_2i_5i_i_14i_2i:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C5DE14F2_aP52_2_4i_4i_10i_i_28i_4i:C-Fe-Li-Na-O-P, expected NaLi10Fe4P4(CO7)4 to be NaLi5Fe2P2(CO7)2" +mp-772636,NaLi5Fe2P2(CO7)2,-7.1854694663,-2.3260556201,0.0404307019,0.0404307019,GGA+U,P-1,A2B2C5DE14F2_aP52_2_2i_2i_5i_i_14i_2i:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C5DE14F2_aP52_2_3i_3i_9i_i_27i_3i:C-Fe-Li-Na-O-P, expected NaLi9Fe3P3(CO9)3 to be NaLi5Fe2P2(CO7)2" +mp-772237,NaLi5Fe2P2(CO7)2,-7.1847944652,-2.3253806189,0.0411057031,0.0411057031,GGA+U,P2_1,A2B2C5DE14F2_mP52_4_2a_2a_5a_a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C5DE14F2_mP52_4_3a_3a_10a_a_27a_3a:C-Fe-Li-Na-O-P, expected NaLi10Fe3P3(CO9)3 to be NaLi5Fe2P2(CO7)2" +mp-772274,NaLi5Fe2P2(CO7)2,-7.1846975298,-2.3252836836,0.0412026385,0.0412026385,GGA+U,P2_1,A2B2C5DE14F2_mP52_4_2a_2a_5a_a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C5DE14F2_mP52_4_4a_4a_10a_a_28a_4a:C-Fe-Li-Na-O-P, expected NaLi10Fe4P4(CO7)4 to be NaLi5Fe2P2(CO7)2" +mp-1101478,NaLi5Fe2P2(CO7)2,-7.1875087650000005,-2.3280949187,0.0383914033,0.0383914033,GGA+U,Pc,A2B2C5DE14F2_mP52_7_2a_2a_5a_a_14a_2a:C-Fe-Li-Na-O-P,52.0,"Invalid WP multiplicities - A2B2C5DE14F2_mP52_7_2a_2a_6a_a_20a_2a:C-Fe-Li-Na-O-P, expected NaLi6Fe2P2(CO10)2 to be NaLi5Fe2P2(CO7)2" +mp-1213220,Fe2PCO7,-7.9252522907,-1.9062676181,0.181444722,0.181444722,GGA+U,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:C-Fe-O-P,44.0,AB2C7D_mP44_14_e_2e_7e_e:C-Fe-O-P +mp-771337,Na3FePCO7,-7.0129757446,-2.2663306624,0.0149276746,-0.0074610461,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Na-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Fe-Na-O-P +mp-22135,Na3FePCO7,-7.0279034192,-2.2812583371,0.0,-0.0223887207,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Na-O-P,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-Na-O-P +mp-769633,NaFePCO7,-7.4390813214,-2.0698690049,0.0405638744,0.0405638744,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Fe-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Fe-Na-O-P, expected NaFePCO13 to be NaFePCO7" +mp-768629,LiFePCO7,-7.4904847314,-2.0679635446,0.0672473259,0.0672473259,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-779262,LiFePCO7,-7.4900579891,-2.0675368023,0.0676740681,0.0676740681,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-768562,LiFePCO7,-7.490571847,-2.0680506603,0.0671602102,0.0671602102,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-779778,LiFePCO7,-7.4893622433,-2.0668410566,0.0683698139,0.0683698139,GGA+U,P1,ABCD7E_aP66_1_6a_6a_6a_42a_6a:C-Fe-Li-O-P,66.0,ABCD7E_aP66_1_6a_6a_6a_42a_6a:C-Fe-Li-O-P +mp-768630,LiFePCO7,-7.48878239,-2.0662612032,0.0689496672,0.0689496672,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-1176692,LiFePCO7,-7.3977046127,-1.9751834259,0.1600274445,0.1600274445,GGA+U,P1,ABCD7E_aP22_1_2a_2a_2a_14a_2a:C-Fe-Li-O-P,22.0,ABCD7E_aP22_1_2a_2a_2a_14a_2a:C-Fe-Li-O-P +mp-1176696,LiFePCO7,-7.4915021518,-2.068980965,0.0662299054,0.0662299054,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-1176704,LiFePCO7,-7.4857117089,-2.0631905221,0.0720203484,0.0720203484,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-1176714,LiFePCO7,-7.4881787936,-2.0656576069,0.0695532636,0.0695532636,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Fe-Li-O-P +mp-1176717,LiFePCO7,-7.4883265109,-2.0658053241,0.0694055463,0.0694055463,GGA+U,P1,ABCD7E_aP66_1_6a_6a_6a_42a_6a:C-Fe-Li-O-P,66.0,ABCD7E_aP66_1_6a_6a_6a_42a_6a:C-Fe-Li-O-P +mp-1176697,LiFePCO7,-7.5028780118,-2.080356825,0.0548540454,0.0548540454,GGA+U,P-1,ABCD7E_aP22_2_i_i_i_7i_i:C-Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_aP22_2_i_i_i_13i_i:C-Fe-Li-O-P, expected LiFePCO13 to be LiFePCO7" +mp-25406,LiFePCO7,-7.4975267459,-2.0750055591,0.0602053113,0.0602053113,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_12a_a:C-Fe-Li-O-P, expected LiFePCO12 to be LiFePCO7" +mp-779101,LiFePCO7,-7.4918848309,-2.0693636441,0.0658472263,0.0658472263,GGA+U,P2_1/m,ABCD7E_mP22_11_e_e_e_5ef_e:C-Fe-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_11_e_e_e_9e2f_e:C-Fe-Li-O-P, expected LiFePCO13 to be LiFePCO7" +mp-1182728,FeP2CO8,-7.1892224042,-1.5143222870000002,0.7821617040000001,0.7821617040000001,GGA+U,P-1,ABC8D2_aP48_2_2i_2i_16i_4i:C-Fe-O-P,48.0,ABC8D2_aP48_2_2i_2i_16i_4i:C-Fe-O-P +mp-1205163,FeP2CO8,-6.8380456156000005,-1.1631454985,1.1333384925,1.1333384925,GGA+U,P-1,ABC8D2_aP48_2_2i_2i_16i_4i:C-Fe-O-P,48.0,ABC8D2_aP48_2_2i_2i_16i_4i:C-Fe-O-P +mp-768485,Li2FePCO7,-7.419993911,-2.2902725843,0.0119110055,0.0119110055,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P +mp-756441,Li2FePCO7,-7.2603000571,-2.1305787303,0.1716048595,0.1716048595,GGA+U,P1,ABC2D7E_aP24_1_2a_2a_4a_14a_2a:C-Fe-Li-O-P,24.0,ABC2D7E_aP24_1_2a_2a_4a_14a_2a:C-Fe-Li-O-P +mp-768508,Li2FePCO7,-7.4206218398,-2.290900513,0.0112830768,0.0112830768,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P +mp-768648,Li2FePCO7,-7.4136971917,-2.2839758649,0.0182077249,0.0182077249,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P +mp-768624,Li2FePCO7,-7.4157764698,-2.286055143,0.0161284468,0.0161284468,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P +mp-1177947,Li2FePCO7,-7.4142484396,-2.2845271128,0.017656477,0.017656477,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Fe-Li-O-P +mp-768471,Li2FePCO7,-7.4200517321,-2.2903304053,0.0118531845,0.0118531845,GGA+U,P-1,ABC2D7E_aP48_2_2i_2i_4i_14i_2i:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_aP48_2_4i_4i_7i_28i_4i:C-Fe-Li-O-P, expected Li7Fe4P4(CO7)4 to be Li2FePCO7" +mp-753770,Li2FePCO7,-7.4258078925,-2.2960865657,0.0060970241,0.0060970241,GGA+U,P-1,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_aP24_2_i_i_3i_13i_i:C-Fe-Li-O-P, expected Li3FePCO13 to be Li2FePCO7" +mp-756223,Li2FePCO7,-7.4221612331,-2.2924399064,0.0097436834,0.0097436834,GGA+U,P-1,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Li-O-P,48.0,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Li-O-P +mp-768491,Li2FePCO7,-7.4210863521,-2.2913650253,0.0108185645,0.0108185645,GGA+U,P-1,ABC2D7E_aP48_2_2i_2i_4i_14i_2i:C-Fe-Li-O-P,48.0,ABC2D7E_aP48_2_4i_4i_8i_28i_4i:C-Fe-Li-O-P +mp-755726,Li2FePCO7,-7.4040056842,-2.2742843574,0.0278992324,0.0278992324,GGA+U,P-1,ABC2D7E_aP24_2_i_i_2i_7i_i:C-Fe-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_aP24_2_i_i_3i_13i_i:C-Fe-Li-O-P, expected Li3FePCO13 to be Li2FePCO7" +mp-755819,Li2FePCO7,-7.4203957698,-2.290674443,0.0115091468,0.0115091468,GGA+U,P2_1,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Fe-Li-O-P,48.0,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Fe-Li-O-P +mp-25457,Li2FePCO7,-7.4153718044,-2.2856504776,0.0165331122,0.0165331122,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-P,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-Li-O-P +mp-768645,Li2FePCO7,-7.4170064038,-2.287285077,0.0148985128,0.0148985128,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_5e_25e_e:C-Fe-Li-O-P, expected Li5FePCO25 to be Li2FePCO7" +mp-768640,Li2FePCO7,-7.4103250962,-2.2806037695,0.0215798203,0.0215798203,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_24e_e:C-Fe-Li-O-P, expected Li3FePCO24 to be Li2FePCO7" +mp-768644,Li2FePCO7,-7.4103839473,-2.2806626205,0.0215209693,0.0215209693,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_25e_e:C-Fe-Li-O-P, expected Li3FePCO25 to be Li2FePCO7" +mp-768707,Li2FePCO7,-7.4100628998,-2.280341573,0.0218420168,0.0218420168,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_24e_e:C-Fe-Li-O-P, expected Li3FePCO24 to be Li2FePCO7" +mp-768646,Li2FePCO7,-7.4117855296,-2.2820642028,0.020119387,0.020119387,GGA+U,P2_1/c,ABC2D7E_mP48_14_e_e_2e_7e_e:C-Fe-Li-O-P,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_14_e_e_3e_25e_e:C-Fe-Li-O-P, expected Li3FePCO25 to be Li2FePCO7" +mp-2713475,HfTiP2SO12,-8.3546651168,-2.9325474425,0.0011112718,0.0011112718,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Ti,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Ti +mp-2716231,NaHf2Ti2P5SO24,-8.3704070341,-3.0289390668,0.0104418963,0.0104418963,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Ti,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Ti +mp-2716533,NaTi2In2P3(SO8)3,-7.326416230299999,-2.4696544309,0.0209775304,0.0209775304,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Ti,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Ti +mp-2715883,Na3Ti2In2P5SO24,-7.4071051062,-2.6723640564,0.0187310542,0.0187310542,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Ti +mp-2712817,NaTiInP2SO12,-7.3529407007,-2.5588840088,0.0347637376,0.0347637376,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:In-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:In-Na-O-P-S-Ti, expected NaTiInP7SO60 to be NaTiInP2SO12" +mp-2712944,TiInP(SO6)2,-7.2568855225,-2.33373008,0.0350399562,0.0350399562,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:In-O-P-S-Ti,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:In-O-P-S-Ti, expected TiInPS3O20 to be TiInP(SO6)2" +mp-2712928,AlSnP(SO6)2,-7.0220235401,-2.2689873954,0.0292031552,0.0292031552,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Al-O-P-S-Sn,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Al-O-P-S-Sn, expected AlSnPS3O20 to be AlSnP(SO6)2" +mp-2712615,NaAlSnP2SO12,-7.1539807559,-2.5205922896,0.0348391337,0.0348391337,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Al-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Al-Na-O-P-S-Sn, expected NaAlSnP7SO60 to be NaAlSnP2SO12" +mp-2715843,Na3Al2Sn2P5SO24,-7.2019570705,-2.6235418618,0.0387996832,0.0387996832,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Sn +mp-2716322,NaAl2Sn2P3(SO8)3,-7.0947652855,-2.4032622326,0.0332706523,0.0332706523,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Sn,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Sn +mp-2712939,ScTiP(SO6)2,-7.8020376779,-2.6682478016,0.0270156358,0.0270156358,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Sc-Ti,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Sc-Ti, expected ScTiPS3O20 to be ScTiP(SO6)2" +mp-2716051,Na3Sc2Ti2P5SO24,-7.8918608886,-2.9635638725,0.0134641256,0.0134641256,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Ti,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Ti +mp-2712781,NaScTiP2SO12,-7.8640792647,-2.8710900519,0.025571252,0.025571252,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Sc-Ti,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Sc-Ti, expected NaScTiP7SO60 to be NaScTiP2SO12" +mp-2716394,NaSc2Ti2P3(SO8)3,-7.8442642039,-2.7828860974,0.0249108824,0.0249108824,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Ti,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Ti +mp-1185277,K8Li31Al8O32,-5.6375733671,-2.3930360779,0.0149912662,0.0149912662,GGA,P1,A8B8C31D32_aP79_1_8a_8a_31a_32a:Al-K-Li-O,79.0,A8B8C31D32_aP79_1_8a_8a_31a_32a:Al-K-Li-O +mp-557268,KLi4AlO4,-5.6408316346,-2.4129895258,0.0,-0.0096640664,GGA,P2_1/c,ABC4D4_mP80_14_2e_2e_8e_8e:Al-K-Li-O,80.0,"Invalid WP multiplicities - ABC4D4_mP80_14_5e_3e_30e_28e:Al-K-Li-O, expected K3Li30Al5O28 to be KLi4AlO4" +mp-556996,K2LiAlF6,-5.4044565373,-3.4700394978,0.0,-0.0236972499,GGA,P-3m1,AB6C2D_hP30_164_ad_3i_c2d_bd:Al-F-K-Li,30.0,"Invalid WP multiplicities - AB6C2D_hP30_164_ad_11i_2c4d_bd:Al-F-K-Li, expected K4LiAlF22 to be K2LiAlF6" +mp-15549,K2LiAlF6,-5.4043401985,-3.4699231589,0.0001163388,-0.0235809111,GGA,R-3m,AB6C2D_hR60_166_ab_2h_2c_c:Al-F-K-Li,20.0,"Invalid WP multiplicities - AB6C2D_hR60_166_ab_3h_2c_c:Al-F-K-Li, expected K2LiAlF9 to be K2LiAlF6" +mp-722903,K2LiAlF6,-3.126707538,-1.1922904984,2.2777489993,2.2540517494,GGA,P6/mmm,AB6C2D_hP10_191_a_i_e_b:Al-F-K-Li,10.0,AB6C2D_hP10_191_a_i_e_b:Al-F-K-Li +mp-9839,K2LiAlF6,-5.4028075300000005,-3.4683904904,0.0016490073,-0.0220482426,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Li,10.0,AB6C2D_cF40_225_a_e_c_b:Al-F-K-Li +mp-1211355,KLiAl2Si4(O5F)2,-7.217535208,-2.9424556759,0.2818530765,0.2818530765,GGA,C2/m,A2B2CDE10F4_mC40_12_g_i_c_b_i2j_j:Al-F-K-Li-O-Si,20.0,A2B2CDE10F4_mC40_12_g_i_c_a_i2j_j:Al-F-K-Li-O-Si +mp-735910,K3Li5Al6Si10(O5F)6,-6.9744868938,-2.8166205339,0.4588761764,0.4588761764,GGA,P-1,A6B6C3D5E30F10_aP60_2_3i_3i_bi_c2i_15i_5i:Al-F-K-Li-O-Si,60.0,"Invalid WP multiplicities - A6B6C3D5E30F10_aP60_2_6i_5i_b2i_c3i_30i_10i:Al-F-K-Li-O-Si, expected K5Li7Al12Si20(O6F)10 to be K3Li5Al6Si10(O5F)6" +mp-643575,CoH12(BrO7)2,-5.0777569869,-0.9335939196,0.0166746386,0.0166746386,GGA+U,P-3m1,A2BC12D14_hP29_164_d_a_j_d2i:Br-Co-H-O,116.0,A2BC12D14_hP29_164_d_a_j_d2i:Br-Co-H-O +mp-541375,CdH4Br3N,-3.9424511503,-0.8880762775000001,0.0165307714,0.0165307714,GGA,Pnma,A3BC4D_oP36_62_3c_c_2cd_c:Br-Cd-H-N,36.0,A3BC4D_oP36_62_3c_c_2cd_c:Br-Cd-H-N +mp-1194559,Co2Br3N7O2,-5.3920495168,0.8311335173000001,1.2828612634,1.2828612634,GGA+U,Pmn2_1,A3B2C7D2_oP28_31_3a_2a_3a2b_b:Br-Co-N-O,28.0,A3B2C7D2_oP28_31_3a_2a_3a2b_b:Br-Co-N-O +mp-510271,CoH12(BrO3)2,-5.0551304111,-1.2166913986,0.0,-0.0132054394,GGA+U,C2/m,A2BC12D6_mC42_12_i_a_2i2j_ij:Br-Co-H-O,84.0,A2BC12D6_mC42_12_i_a_2i2j_ij:Br-Co-H-O +mp-1198034,CdH5Br3N2,-4.2601844011,-0.6948575989,0.0979180761,0.0979180761,GGA,P2_1/c,A3BC5D2_mP44_14_3e_e_5e_2e:Br-Cd-H-N,44.0,A3BC5D2_mP44_14_3e_e_5e_2e:Br-Cd-H-N +mp-1182026,Cd(Br3N2)2,-3.3645179695,0.5979401614000001,0.9509818282,0.9509818282,GGA,R-3c,A6BC4_hR66_167_f_b_ae:Br-Cd-N,22.0,A6BC4_hR66_167_f_b_ae:Br-Cd-N +mp-1190683,Cd(Br3N2)2,-2.9867583059,0.975699825,1.3287414918,1.3287414918,GGA,R-3c,A6BC4_hR66_167_f_b_ae:Br-Cd-N,22.0,A6BC4_hR66_167_f_b_ae:Br-Cd-N +mp-1182159,Co2Br3(N2O)3,-5.4090144968,0.5720395221,1.1047162161,1.1047162161,GGA+U,P2_1,A3B2C6D3_mP28_4_3a_2a_6a_3a:Br-Co-N-O,28.0,A3B2C6D3_mP28_4_3a_2a_6a_3a:Br-Co-N-O +mp-24410,CoH4(BrO)2,-4.7670093256,-1.0249364303,0.0840630112,0.0840630112,GGA+U,C2/m,A2BC4D2_mC18_12_i_a_j_g:Br-Co-H-O,9.0,A2BC4D2_mC18_12_i_a_j_g:Br-Co-H-O +mp-1205182,CoBrN5O4,-5.621893512,0.7536133602,1.325607315,1.325607315,GGA+U,P2_1/c,ABC5D4_mP44_14_e_e_5e_4e:Br-Co-N-O,44.0,ABC5D4_mP44_14_e_e_5e_4e:Br-Co-N-O +mp-1204966,Cd3Co2H44Br12(N3O)4,-4.7365968535,-0.7791126359,0.0003314192,0.0003314192,GGA+U,P-1,A12B3C2D44E12F4_aP77_2_6i_ai_i_22i_6i_2i:Br-Cd-Co-H-N-O,77.0,A12B3C2D44E12F4_aP77_2_6i_ai_i_22i_6i_2i:Br-Cd-Co-H-N-O +mp-1226695,CoH15Br2(N3O)2,-5.238278751,-0.5837552086000001,0.1110392109,0.1110392109,GGA+U,P-1,A2BC15D6E2_aP52_2_2i_i_15i_6i_2i:Br-Co-H-N-O,52.0,"Invalid WP multiplicities - A2BC15D6E2_aP52_2_4i_i_27i_10i_4i:Br-Co-H-N-O, expected CoH27Br4(N5O2)2 to be CoH15Br2(N3O)2" +mp-1226430,CoH15Br2(N3O)2,-5.228367931,-0.5738443886,0.1209500309,0.1209500309,GGA+U,Cc,A2BC15D6E2_mC104_9_2a_a_15a_6a_2a:Br-Co-H-N-O,52.0,"Invalid WP multiplicities - A2BC15D6E2_mC104_9_3a_a_21a_8a_3a:Br-Co-H-N-O, expected CoH21Br3N8O3 to be CoH15Br2(N3O)2" +mp-23893,H5BrNO,-4.7857646844,-0.8107844105,0.0830700257,0.0830700257,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Br-H-N-O,32.0,AB5CD_mP32_14_e_5e_e_e:Br-H-N-O +mp-1200646,H5BrNO,-4.8015569234,-0.8265766495,0.0672777866,0.0672777866,GGA,P2_1/c,AB5CD_mP32_14_e_5e_e_e:Br-H-N-O,32.0,AB5CD_mP32_14_e_5e_e_e:Br-H-N-O +mp-1205046,Co2Br5N9O2,-5.4071451031,0.5319442851,0.8904915447,0.8904915447,GGA+U,C2/c,A5B2C9D2_mC72_15_e2f_f_e4f_f:Br-Co-N-O,36.0,A5B2C9D2_mC72_15_e2f_f_e4f_f:Br-Co-N-O +mp-1200039,H4BrNO4,-4.8295011473,-0.5047829192000001,0.4789566242,0.4789566242,GGA,Pnma,AB4CD4_oP40_62_c_2cd_c_2cd:Br-H-N-O,40.0,AB4CD4_oP40_62_c_2cd_c_2cd:Br-H-N-O +mp-23965,CoH8(BrO2)2,-4.9455152563,-1.135986079,0.0483977324,0.0483977324,GGA+U,P2_1/c,A2BC8D4_mP30_14_e_a_4e_2e:Br-Co-H-O,30.0,A2BC8D4_mP30_14_e_a_4e_2e:Br-Co-H-O +mp-1190668,CoBr2(N3O)2,-5.2382830486,1.1368734448,1.5239296173,1.5239296173,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Br-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Br-Co-N-O +mp-1191677,CoBr2(N3O)2,-5.2267450782,1.1484114152,1.5354675877,1.5354675877,GGA+U,C2/c,A2BC6D2_mC44_15_f_e_2e2f_f:Br-Co-N-O,22.0,A2BC6D2_mC44_15_f_e_2e2f_f:Br-Co-N-O +mp-729886,Cd(BrN)2,-2.731062726,1.409324528,2.186016195,2.186016195,GGA,Cmmm,A2BC2_oC10_65_h_a_i:Br-Cd-N,5.0,A2BC2_oC10_65_h_a_i:Br-Cd-N +mp-1182488,CoBr2N6O,-5.6522584555,0.8657448161,1.1884373498,1.1884373498,GGA+U,Cmcm,A2BC6D_oC40_63_e_c_2cfg_c:Br-Co-N-O,20.0,A2BC6D_oC40_63_e_c_2cfg_c:Br-Co-N-O +mp-1234044,BaMgV2Ni3(HO5)2,-6.8143118874,-1.7995847099,0.3073742444,0.3073742444,GGA+U,P1,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Mg-Ni-O-V,19.0,AB2CD3E10F2_aP19_1_a_2a_a_3a_10a_2a:Ba-H-Mg-Ni-O-V +mp-1233294,BaMgV2Ni3(HO5)2,-6.8468802447,-1.8321530672,0.274805887,0.274805887,GGA+U,C2/m,AB2CD3E10F2_mC38_12_c_i_b_ae_3ij_i:Ba-H-Mg-Ni-O-V,19.0,AB2CD3E10F2_mC38_12_c_i_b_af_3ij_i:Ba-H-Mg-Ni-O-V +mp-2712637,NaGaGeP2SO12,-6.9369626162,-2.3093532503,0.0486627173,0.0486627173,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Ga-Ge-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Ga-Ge-Na-O-P-S, expected NaGaGeP7SO60 to be NaGaGeP2SO12" +mp-2716374,NaGa2Ge2P3(SO8)3,-6.8654282382,-2.1798694028,0.0485681197,0.0485681197,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ga-Ge-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ga-Ge-Na-O-P-S +mp-2715834,Na3Ga2Ge2P5SO24,-6.988851156,-2.4160588559,0.0497046672,0.0497046672,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ga-Ge-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ga-Ge-Na-O-P-S +mp-2713069,GaGeP(SO6)2,-6.7862850922,-2.0393679949,0.0343791773,0.0343791773,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Ga-Ge-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Ga-Ge-O-P-S, expected GaGePS3O20 to be GaGeP(SO6)2" +mp-756199,Li3Mn2P2(CO7)2,-7.5876950448,-2.2577656039000003,0.0350448912,0.0350448912,GGA+U,P1,A2B3C2D14E2_aP23_1_2a_3a_2a_14a_2a:C-Li-Mn-O-P,23.0,A2B3C2D14E2_aP23_1_2a_3a_2a_14a_2a:C-Li-Mn-O-P +mp-768837,Li3Mn2P2(CO7)2,-7.5907164983,-2.2607870574,0.0320234377,0.0320234377,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-768733,Li3Mn2P2(CO7)2,-7.5865405739,-2.256611133,0.0361993621,0.0361993621,GGA+U,P1,A2B3C2D14E2_aP23_1_2a_3a_2a_14a_2a:C-Li-Mn-O-P,23.0,A2B3C2D14E2_aP23_1_2a_3a_2a_14a_2a:C-Li-Mn-O-P +mp-768750,Li3Mn2P2(CO7)2,-7.5867868113,-2.2568573704,0.0359531247,0.0359531247,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-768836,Li3Mn2P2(CO7)2,-7.5920306091,-2.2621011683,0.0307093268,0.0307093268,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-768753,Li3Mn2P2(CO7)2,-7.5869174287,-2.2569879878,0.0358225073,0.0358225073,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-768752,Li3Mn2P2(CO7)2,-7.5869861698,-2.2570567289,0.0357537662,0.0357537662,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-1177646,Li3Mn2P2(CO7)2,-7.5983985672,-2.2684691263,0.0243413688,0.0243413688,GGA+U,P1,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P,46.0,A2B3C2D14E2_aP46_1_4a_6a_4a_28a_4a:C-Li-Mn-O-P +mp-768782,Li3Mn2P2(CO7)2,-7.597308617,-2.2673791761,0.025431319,0.025431319,GGA+U,P-1,A2B3C2D14E2_aP46_2_2i_3i_2i_14i_2i:C-Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_aP46_2_3i_5i_3i_27i_4i:C-Li-Mn-O-P, expected Li5Mn3P4(CO9)3 to be Li3Mn2P2(CO7)2" +mp-768737,Li3Mn2P2(CO7)2,-7.5877700676,-2.2578406267,0.0349698684,0.0349698684,GGA+U,P2_1,A2B3C2D14E2_mP46_4_2a_3a_2a_14a_2a:C-Li-Mn-O-P,46.0,"Invalid WP multiplicities - A2B3C2D14E2_mP46_4_3a_6a_3a_27a_3a:C-Li-Mn-O-P, expected Li2MnPCO9 to be Li3Mn2P2(CO7)2" +mp-1176894,Li7Mn3P3(CO7)3,-7.4573922328,-2.3586118848,0.0376936749,0.0376936749,GGA+U,P2_1/m,A3B7C3D21E3_mP74_11_ef_e3f_ef_5e8f_ef:C-Li-Mn-O-P,74.0,"Invalid WP multiplicities - A3B7C3D21E3_mP74_11_2e3f_2e11f_2e2f_10e23f_2e3f:C-Li-Mn-O-P, expected Li12Mn3P4(CO7)4 to be Li7Mn3P3(CO7)3" +mp-766513,Li12MnNi3P4(CO7)4,-7.0605356829,-2.3204461513,0.04561207,0.04561207,GGA+U,Pm,A4B12CD3E28F4_mP52_6_2a2b_2a2b4c_a_a2b_10a10b4c_2a2b:C-Li-Mn-Ni-O-P,52.0,A4B12CD3E28F4_mP52_6_2a2b_2a2b4c_a_a2b_10a10b4c_2a2b:C-Li-Mn-Ni-O-P +mp-1178080,Li12Mn3NiP4(CO7)4,-7.2523029479,-2.382141162,0.0529103923,0.0529103923,GGA+U,Pm,A4B12C3DE28F4_mP52_6_2a2b_2a2b4c_a2b_a_10a10b4c_2a2b:C-Li-Mn-Ni-O-P,52.0,A4B12C3DE28F4_mP52_6_2a2b_2a2b4c_a2b_a_10a10b4c_2a2b:C-Li-Mn-Ni-O-P +mp-755033,Li5Mn2P2(CO7)2,-7.4358034712,-2.3795545563,0.0357940953,0.0357940953,GGA+U,P1,A2B5C2D14E2_aP25_1_2a_5a_2a_14a_2a:C-Li-Mn-O-P,25.0,A2B5C2D14E2_aP25_1_2a_5a_2a_14a_2a:C-Li-Mn-O-P +mp-768858,Li5Mn2P2(CO7)2,-7.4274727342,-2.3712238193,0.0441248323,0.0441248323,GGA+U,P1,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Li-Mn-O-P,50.0,A2B5C2D14E2_aP50_1_4a_10a_4a_28a_4a:C-Li-Mn-O-P +mp-768935,Li5Mn2P2(CO7)2,-7.4265510906,-2.3703021757,0.0450464759,0.0450464759,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_4i_10i_4i_28i_3i:C-Li-Mn-O-P, expected Li10Mn4P3(CO7)4 to be Li5Mn2P2(CO7)2" +mp-769300,Li5Mn2P2(CO7)2,-7.4284284104,-2.3721794955,0.0431691561,0.0431691561,GGA+U,P-1,A2B5C2D14E2_aP50_2_2i_5i_2i_14i_2i:C-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_aP50_2_3i_10i_3i_27i_3i:C-Li-Mn-O-P, expected Li10Mn3P3(CO9)3 to be Li5Mn2P2(CO7)2" +mp-754486,Li5Mn2P2(CO7)2,-7.4255274488,-2.3692785339,0.0460701177,0.0460701177,GGA+U,Pm,A2B5C2D14E2_mP25_6_ab_a2c_ab_5a5b2c_ab:C-Li-Mn-O-P,25.0,A2B5C2D14E2_mP25_6_ab_a2c_ab_5a5b2c_ab:C-Li-Mn-O-P +mp-768859,Li5Mn2P2(CO7)2,-7.4242603828,-2.3680114679,0.0473371837,0.0473371837,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_3e_2e3f_3e_19e4f_3e:C-Li-Mn-O-P, expected Li8Mn3P3(CO9)3 to be Li5Mn2P2(CO7)2" +mp-768852,Li5Mn2P2(CO7)2,-7.4236352626,-2.3673863477,0.0479623039,0.0479623039,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Li-Mn-O-P,50.0,A2B5C2D14E2_mP50_11_4e_2e4f_4e_20e4f_4e:C-Li-Mn-O-P +mp-768787,Li5Mn2P2(CO7)2,-7.423810276,-2.3675613611,0.0477872905,0.0477872905,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_3e_2e3f_3e_19e4f_3e:C-Li-Mn-O-P, expected Li8Mn3P3(CO9)3 to be Li5Mn2P2(CO7)2" +mp-768855,Li5Mn2P2(CO7)2,-7.426391616,-2.3701427011,0.0452059505,0.0452059505,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A2B5C2D14E2_mP50_11_2e_2e2f_2e_18e4f_2e:C-Li-Mn-O-P, expected Li3MnPCO13 to be Li5Mn2P2(CO7)2" +mp-768854,Li5Mn2P2(CO7)2,-7.4244725356,-2.3682236207000003,0.0471250309,0.0471250309,GGA+U,P2_1/m,A2B5C2D14E2_mP50_11_2e_e2f_2e_10e2f_2e:C-Li-Mn-O-P,50.0,A2B5C2D14E2_mP50_11_4e_2e4f_4e_20e4f_4e:C-Li-Mn-O-P +mp-1181254,MnPCO4,-7.9355451318,-1.7082968266,0.5107395396000001,0.5107395396000001,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:C-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:C-Mn-O-P +mp-1193774,MnPCO4,-7.8158511771,-1.588602872,0.6304334942,0.6304334942,GGA+U,Pna2_1,ABC4D_oP28_33_a_a_4a_a:C-Mn-O-P,28.0,ABC4D_oP28_33_a_a_4a_a:C-Mn-O-P +mp-768697,LiMnPCO7,-7.6684064602,-2.1829767205,0.0244325774,0.0244325774,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P +mp-768699,LiMnPCO7,-7.667531720699999,-2.182101981,0.0253073169,0.0253073169,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P +mp-1176660,LiMnPCO7,-7.6741383655,-2.1887086258,0.0187006721,0.0187006721,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Li-Mn-O-P +mp-756529,LiMnPCO7,-7.67667428,-2.1912445403,0.0161647576,0.0161647576,GGA+U,P-1,ABCD7E_aP22_2_i_i_i_7i_i:C-Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABCD7E_aP22_2_i_i_i_13i_i:C-Li-Mn-O-P, expected LiMnPCO13 to be LiMnPCO7" +mp-25408,LiMnPCO7,-7.6752443691,-2.1898146294,0.0175946685,0.0175946685,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Li-Mn-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_12a_a:C-Li-Mn-O-P, expected LiMnPCO12 to be LiMnPCO7" +mp-768688,LiMnPCO7,-7.6684057439,-2.1829760042,0.0244332937,0.0244332937,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_25e_e:C-Li-Mn-O-P, expected LiMnPCO25 to be LiMnPCO7" +mp-770078,LiMnPCO7,-7.6657610975,-2.1803313578,0.0270779401,0.0270779401,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_24e_e:C-Li-Mn-O-P, expected LiMnPCO24 to be LiMnPCO7" +mp-770237,LiMnPCO7,-7.6682196243,-2.1827898846,0.0246194133,0.0246194133,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_26e_e:C-Li-Mn-O-P, expected LiMnPCO26 to be LiMnPCO7" +mp-768693,LiMnPCO7,-7.665357312,-2.1799275723,0.0274817255,0.0274817255,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_24e_e:C-Li-Mn-O-P, expected LiMnPCO24 to be LiMnPCO7" +mp-770248,LiMnPCO7,-7.6667652641,-2.1813355244,0.0260737735,0.0260737735,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Li-Mn-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_26e_e:C-Li-Mn-O-P, expected LiMnPCO26 to be LiMnPCO7" +mp-757236,Li6MnNiP2(CO7)2,-7.1591882619,-2.3540626032,0.0464922846,0.0464922846,GGA+U,Pm,A2B6CDE14F2_mP26_6_ab_ab2c_a_b_5a5b2c_ab:C-Li-Mn-Ni-O-P,26.0,A2B6CDE14F2_mP26_6_ab_ab2c_a_b_5a5b2c_ab:C-Li-Mn-Ni-O-P +mp-766708,Li3MnPCO7,-7.3464572162,-2.4112593031,0.0582889177,0.0582889177,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P +mp-766690,Li3MnPCO7,-7.344007556,-2.4088096429,0.0607385779,0.0607385779,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P +mp-766691,Li3MnPCO7,-7.3418477146,-2.4066498015,0.0628984192,0.0628984192,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P +mp-760110,Li3MnPCO7,-7.3436486831,-2.40845077,0.0610974508,0.0610974508,GGA+U,P1,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P,52.0,AB3CD7E_aP52_1_4a_12a_4a_28a_4a:C-Li-Mn-O-P +mp-755068,Li3MnPCO7,-7.3105965527,-2.3753986396,0.0941495812,0.0941495812,GGA+U,P-1,AB3CD7E_aP26_2_i_3i_i_7i_i:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_aP26_2_i_5i_i_13i_i:C-Li-Mn-O-P, expected Li5MnPCO13 to be Li3MnPCO7" +mp-756327,Li3MnPCO7,-7.3060749627,-2.3708770496,0.0986711712,0.0986711712,GGA+U,P-1,AB3CD7E_aP26_2_i_3i_i_7i_i:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_aP26_2_i_5i_i_13i_i:C-Li-Mn-O-P, expected Li5MnPCO13 to be Li3MnPCO7" +mp-763832,Li3MnPCO7,-7.35594186,-2.4207439469,0.0488042738,0.0488042738,GGA+U,P-1,AB3CD7E_aP26_2_i_3i_i_7i_i:C-Li-Mn-O-P,52.0,AB3CD7E_aP26_2_i_3i_i_7i_i:C-Li-Mn-O-P +mp-1177612,Li3MnPCO7,-7.3240138185,-2.3888159054,0.0807323154,0.0807323154,GGA+U,P-1,AB3CD7E_aP26_2_i_3i_i_7i_i:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_aP26_2_i_5i_i_13i_i:C-Li-Mn-O-P, expected Li5MnPCO13 to be Li3MnPCO7" +mp-756651,Li3MnPCO7,-7.1449707923,-2.2097728792,0.2597753415,0.2597753415,GGA+U,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_4_a_5a_a_13a_a:C-Li-Mn-O-P, expected Li5MnPCO13 to be Li3MnPCO7" +mp-771340,Li3MnPCO7,-7.3574078604,-2.4222099473,0.0473382735,0.0473382735,GGA+U,P2_1,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Mn-O-P,52.0,AB3CD7E_mP26_4_a_3a_a_7a_a:C-Li-Mn-O-P +mp-25461,Li3MnPCO7,-7.3549962458,-2.4197983327,0.0497498881,0.0497498881,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_e2f_e_9e2f_e:C-Li-Mn-O-P, expected Li5MnPCO13 to be Li3MnPCO7" +mp-766591,Li3MnPCO7,-7.3409560927,-2.4057581796,0.0637900412,0.0637900412,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_23e_e:C-Li-Mn-O-P, expected Li5MnPCO23 to be Li3MnPCO7" +mp-766686,Li3MnPCO7,-7.3414489808,-2.4062510677,0.0632971531,0.0632971531,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_26e_e:C-Li-Mn-O-P, expected Li5MnPCO26 to be Li3MnPCO7" +mp-766616,Li3MnPCO7,-7.3413370315,-2.4061391185,0.0634091023,0.0634091023,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_23e_e:C-Li-Mn-O-P, expected Li5MnPCO23 to be Li3MnPCO7" +mp-766684,Li3MnPCO7,-7.3403993433,-2.4052014302,0.0643467906,0.0643467906,GGA+U,P2_1/c,AB3CD7E_mP52_14_e_3e_e_7e_e:C-Li-Mn-O-P,52.0,"Invalid WP multiplicities - AB3CD7E_mP52_14_e_5e_e_26e_e:C-Li-Mn-O-P, expected Li5MnPCO26 to be Li3MnPCO7" +mp-756499,Li3MnPCO7,-7.3197290581,-2.384531145,0.0850170758,0.0850170758,GGA+U,Pmn2_1,AB3CD7E_oP26_31_a_ab_a_5ab_a:C-Li-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_oP26_31_a_2a2b_a_10a2b_a:C-Li-Mn-O-P, expected Li6MnPCO14 to be Li3MnPCO7" +mp-771904,Li6Mn2P(CO4)4,-7.3793584781,-2.1637532491,0.0931905104,0.0931905104,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Li-Mn-O-P,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_6e7g_b:C-Li-Mn-O-P, expected Li6Mn2P(CO27)4 to be Li6Mn2P(CO4)4" +mp-754320,Li2MnPCO7,-7.5166870333,-2.3292995331,0.0273329185,0.0273329185,GGA+U,P1,AB2CD7E_aP24_1_2a_4a_2a_14a_2a:C-Li-Mn-O-P,24.0,AB2CD7E_aP24_1_2a_4a_2a_14a_2a:C-Li-Mn-O-P +mp-768927,Li2MnPCO7,-7.5152676921,-2.3278801918,0.0287522598,0.0287522598,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Li-Mn-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Li-Mn-O-P +mp-1177960,Li2MnPCO7,-7.5198482713,-2.332460771,0.0241716806,0.0241716806,GGA+U,P1,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Li-Mn-O-P,48.0,AB2CD7E_aP48_1_4a_8a_4a_28a_4a:C-Li-Mn-O-P +mp-756699,Li2MnPCO7,-7.5347871775,-2.3473996772,0.0092327744,0.0092327744,GGA+U,P-1,AB2CD7E_aP24_2_i_2i_i_7i_i:C-Li-Mn-O-P,24.0,AB2CD7E_aP24_2_i_2i_i_7i_i:C-Li-Mn-O-P +mp-768948,Li2MnPCO7,-7.5147062419,-2.3273187416,0.02931371,0.02931371,GGA+U,Pc,AB2CD7E_mP48_7_2a_4a_2a_14a_2a:C-Li-Mn-O-P,48.0,"Invalid WP multiplicities - AB2CD7E_mP48_7_2a_5a_2a_27a_2a:C-Li-Mn-O-P, expected Li5Mn2P2C2O27 to be Li2MnPCO7" +mp-1177908,Li2MnPCO7,-7.5169699458,-2.3295824456,0.027050006,0.027050006,GGA+U,Pc,AB2CD7E_mP48_7_2a_4a_2a_14a_2a:C-Li-Mn-O-P,48.0,"Invalid WP multiplicities - AB2CD7E_mP48_7_2a_6a_2a_25a_2a:C-Li-Mn-O-P, expected Li6Mn2P2C2O25 to be Li2MnPCO7" +mp-25394,Li2MnPCO7,-7.5321925992,-2.3448050989,0.0118273527,0.0118273527,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-P,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-P +mp-1227813,BaScO2F,-7.753284206,-3.742024119,0.0904343352,0.0904343352,GGA,P4/mmm,ABC2D_tP5_123_c_a_e_b:Ba-F-O-Sc,5.0,ABC2D_tP5_123_c_a_e_b:Ba-F-O-Sc +mp-1233767,Ba6MgSc2C2(O3F7)2,-6.7486621094,-3.5010093127,0.2122840159,0.2122840159,GGA,P1,A6B2C14DE6F2_aP31_1_6a_2a_14a_a_6a_2a:Ba-C-F-Mg-O-Sc,31.0,A6B2C14DE6F2_aP31_1_6a_2a_14a_a_6a_2a:Ba-C-F-Mg-O-Sc +mp-1234212,Ba6MgSc2C2(O3F7)2,-6.8331043452,-3.5854515485,0.1278417801,0.1278417801,GGA,C2,A6B2C14DE6F2_mC62_5_3c_c_2a2b5c_a_3c_c:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mC62_5_4c_c_2a2b8c_a_5c_c:Ba-C-F-Mg-O-Sc, expected Ba8MgSc2C2(OF2)10 to be Ba6MgSc2C2(O3F7)2" +mp-1233740,Ba6MgSc2C2(O3F7)2,-6.7302524823,-3.4825996856,0.230693643,0.230693643,GGA,Pm,A6B2C14DE6F2_mP31_6_3a3b_ab_ab6c_a_3a3b_ab:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mP31_6_3a3b_ab_ab11c_a_3a3b_ab:Ba-C-F-Mg-O-Sc, expected Ba6MgSc2C2(OF4)6 to be Ba6MgSc2C2(O3F7)2" +mp-1233960,Ba6MgSc2C2(O3F7)2,-6.7312200535,-3.4835672569,0.2297260717,0.2297260717,GGA,Pm,A6B2C14DE6F2_mP31_6_3a3b_ab_ab6c_a_3a3b_ab:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mP31_6_3a3b_ab_ab11c_a_3a3b_ab:Ba-C-F-Mg-O-Sc, expected Ba6MgSc2C2(OF4)6 to be Ba6MgSc2C2(O3F7)2" +mp-1234262,Ba6MgSc2C2(O3F7)2,-6.737752091,-3.4900992943,0.2231940343,0.2231940343,GGA,Pm,A6B2C14DE6F2_mP31_6_3a3b_ab_ab6c_a_3a3b_ab:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mP31_6_3a3b_ab_ab11c_a_3a3b_ab:Ba-C-F-Mg-O-Sc, expected Ba6MgSc2C2(OF4)6 to be Ba6MgSc2C2(O3F7)2" +mp-1233666,Ba6MgSc2C2(O3F7)2,-6.7207582271,-3.4731054304,0.2401878982,0.2401878982,GGA,Cm,A6B2C14DE6F2_mC62_8_2a2b_2a_2a6b_a_2a2b_2a:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mC62_8_2a4b_2a_2a11b_a_2a3b_2a:Ba-C-F-Mg-O-Sc, expected Ba10MgSc2C2(OF3)8 to be Ba6MgSc2C2(O3F7)2" +mp-1235003,Ba6MgSc2C2(O3F7)2,-6.70103973,-3.4533869333,0.2599063953,0.2599063953,GGA,C2/m,A6B2C14DE6F2_mC62_12_ij_i_ghi2j_a_ij_i:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_mC62_12_i2j_i_2ghi6j_a_2i2j_i:Ba-C-F-Mg-O-Sc, expected Ba10MgSc2C2(O3F8)4 to be Ba6MgSc2C2(O3F7)2" +mp-1233942,Ba6MgSc2C2(O3F7)2,-6.7025645532,-3.4549117565,0.258381572,0.258381572,GGA,Amm2,A6B2C14DE6F2_oC62_38_abde_ab_ab3f_a_abde_ab:Ba-C-F-Mg-O-Sc,31.0,"Invalid WP multiplicities - A6B2C14DE6F2_oC62_38_ab2d2e_ab_ab8f_a_ab2de_ab:Ba-C-F-Mg-O-Sc, expected Ba10MgSc2C2(O4F17)2 to be Ba6MgSc2C2(O3F7)2" +mp-1228342,Ba2ScO3F,-7.4351899271,-3.5891950577,0.0,-0.0382048825,GGA,I4mm,A2BC3D_tI14_107_2a_a_ab_a:Ba-F-O-Sc,7.0,A2BC3D_tI14_107_2a_a_ab_a:Ba-F-O-Sc +mp-1195783,ScC6(O2F3)3,-6.9819817259,-2.0461678607,0.2037584811,0.2037584811,GGA,Pbcm,A6B9C6D_oP88_57_2d2e_d4e_2d2e_d:C-F-O-Sc,88.0,A6B9C6D_oP88_57_2d2e_d4e_2d2e_d:C-F-O-Sc +mp-560519,Ba3ScCO3F7,-7.0199129753,-3.7173477537,0.0,-0.0108370263,GGA,Cmcm,A3BC7D3E_oC60_63_cg_c_ceh_cg_c:Ba-C-F-O-Sc,30.0,"Invalid WP multiplicities - A3BC7D3E_oC60_63_c2g_c_c3e2h_2c2g_c:Ba-C-F-O-Sc, expected Ba5ScC(O2F5)3 to be Ba3ScCO3F7" +mp-2715825,Na3TaIn3P5SO24,-7.2584036875,-2.5555956829,0.0219426279,0.0219426279,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:In-Na-O-P-S-Ta,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:In-Na-O-P-S-Ta +mp-2716280,NaTaIn3P3(SO8)3,-7.1727252001,-2.3497211914,0.0208650102,0.0208650102,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:In-Na-O-P-S-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:In-Na-O-P-S-Ta +mp-2713416,TaInP2SO12,-7.7770906184,-2.5457505728000003,0.033790659,0.033790659,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:In-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:In-O-P-S-Ta, expected TaInP7SO60 to be TaInP2SO12" +mp-2712841,TaIn3P2(SO6)4,-7.1147135211,-2.2263087455,0.0272551247,0.0272551247,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:In-O-P-S-Ta,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:In-O-P-S-Ta +mp-2716203,NaTa2In2P5SO24,-7.8299198144,-2.6737786863,0.0138653406,0.0138653406,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:In-Na-O-P-S-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:In-Na-O-P-S-Ta +mp-2712649,Na2TaIn3P4(SO12)2,-7.2208033455,-2.4595667278,0.0173698633,0.0173698633,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:In-Na-O-P-S-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:In-Na-O-P-S-Ta +mp-1247391,MgCuN,-4.64221333,0.0364472183,0.5339587965,0.5339587965,GGA,Amm2,ABC_oC6_38_a_b_a:Cu-Mg-N,3.0,ABC_oC6_38_a_b_a:Cu-Mg-N +mp-1246792,MgCuN,-4.9336563175,-0.2549957692,0.242515809,0.242515809,GGA,Pnma,ABC_oP12_62_c_c_c:Cu-Mg-N,12.0,ABC_oP12_62_c_c_c:Cu-Mg-N +mp-2239929,Sr2MgCuC(NO)2,-6.0215575022,-1.0356123476,0.7883474556000001,0.7883474556000001,GGA,P4/mmm,ABCD2E2F2_tP9_123_a_b_c_g_e_h:C-Cu-Mg-N-O-Sr,9.0,ABCD2E2F2_tP9_123_a_b_c_g_e_h:C-Cu-Mg-N-O-Sr +mp-1406172,Mg2CuN2,-5.232164545,-0.437613221,0.1594006728,0.1594006728,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Cu-Mg-N,10.0,AB2C2_mC20_12_i_2i_2i:Cu-Mg-N +mp-1033474,SrMg6CO8,-5.990594125,-2.2347598165,0.6701245969,0.6701245969,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Sr, expected SrMg6CO12 to be SrMg6CO8" +mp-1033488,SrMg6CO8,-5.9978577538,-2.2420234453,0.6628609681000001,0.6628609681000001,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Sr,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Sr, expected SrMg6CO12 to be SrMg6CO8" +mp-1147612,Mg(CuN)3,-5.2854232129,0.2727746207,0.4859938685,0.4859938685,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cu-Mg-N,7.0,A3BC3_cP7_221_c_a_d:Cu-Mg-N +mp-1246035,Mg5CuN4,-5.0589702375,-0.5143115755000001,0.2319557918,0.2319557918,GGA,Pmmn,AB5C4_oP20_59_a_bg_ef:Cu-Mg-N,20.0,AB5C4_oP20_59_a_bg_ef:Cu-Mg-N +mp-1016428,SrMg6C,-2.1583903987,0.406589507,0.4555498216,0.4555498216,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Sr,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Sr +mp-1016514,SrMg6C,-2.248787875,0.3161920307,0.3651523454,0.3651523454,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Sr,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Sr, expected SrMg12C to be SrMg6C" +mp-1026595,SrMg14C,-1.8429661594,0.2396638185,0.2747434823,0.2747434823,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Sr, expected SrMg18C to be SrMg14C" +mp-1026551,SrMg14C,-1.7559707712,0.3266592066,0.3617388704,0.3617388704,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Sr,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Sr, expected SrMg26C to be SrMg14C" +mp-1021672,Sr2CuC(NO)2,-6.9195840012000005,-1.5104307085,0.1746881482,0.1746881482,GGA,P4/mmm,ABC2D2E2_tP8_123_a_b_g_e_h:C-Cu-N-O-Sr,8.0,ABC2D2E2_tP8_123_a_b_g_e_h:C-Cu-N-O-Sr +mp-1038619,SrMg30CO32,-6.2475208894,-2.8534490268,0.1633023011,0.1633023011,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Sr, expected SrMg90CO80 to be SrMg30CO32" +mp-1038644,SrMg30CO32,-6.2482486856,-2.854176823,0.1625745048,0.1625745048,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Sr,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Sr, expected SrMg110CO72 to be SrMg30CO32" +mp-1233072,Mg(CuN)2,-5.078471848,0.2158648,0.5143717469,0.5143717469,GGA,P-4m2,A2BC2_tP5_115_e_b_g:Cu-Mg-N,5.0,A2BC2_mC10_5_c_a_c:Cu-Mg-N +mp-1034470,SrMg14CO16,-6.1608778628,-2.6462185183,0.3332438381,0.3332438381,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Sr, expected SrMg18CO20 to be SrMg14CO16" +mp-1034502,SrMg14CO16,-6.1609605303,-2.6463011858,0.3331611706,0.3331611706,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Sr,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Sr, expected SrMg30CO32 to be SrMg14CO16" +mp-2712533,Na3Mg2Al2PS5O24,-6.7421708485,-2.4320257525,0.02552729,0.02552729,GGA,P1,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Al-Mg-Na-O-P-S,111.0,A2B2C3D24EF5_aP111_1_6a_6a_9a_72a_3a_15a:Al-Mg-Na-O-P-S +mp-2715909,Na7Mg2Al2P5SO24,-6.8921615001,-2.7489205175,0.022143995,0.022143995,GGA,P1,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Mg-Na-O-P-S,123.0,A2B2C7D24E5F_aP123_1_6a_6a_21a_72a_15a_3a:Al-Mg-Na-O-P-S +mp-2713389,Na2MgAlP(SO6)2,-6.7640147388,-2.4988898313,0.0685216221,0.0685216221,GGA,Cc,ABC2D12EF2_mC228_9_3a_3a_6a_36a_3a_6a:Al-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12EF2_mC228_9_3a_3a_6a_60a_3a_9a:Al-Mg-Na-O-P-S, expected Na2MgAlPS3O20 to be Na2MgAlP(SO6)2" +mp-2712560,Na3MgAlP2SO12,-6.8406253165,-2.6587877577,0.0587857021,0.0587857021,GGA,Cc,ABC3D12E2F_mC80_9_a_a_3a_12a_2a_a:Al-Mg-Na-O-P-S,120.0,"Invalid WP multiplicities - ABC3D12E2F_mC80_9_a_a_8a_60a_7a_a:Al-Mg-Na-O-P-S, expected Na8MgAlP7SO60 to be Na3MgAlP2SO12" +mp-2714625,Na5Mg2Al2P3(SO8)3,-6.7978287032,-2.5754152566,0.078384779,0.078384779,GGA,P1,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Al-Mg-Na-O-P-S,117.0,A2B2C5D24E3F3_aP117_1_6a_6a_15a_72a_9a_9a:Al-Mg-Na-O-P-S +mp-2713399,Ca2Ta4P6(SO12)3,-8.1684817093,-2.7878489931,0.0251455426,0.0251455426,GGA,P3c1,A2B36C6D3E4_hP102_158_ab_12d_2d_d_ab2c:Ca-O-P-S-Ta,102.0,A2B36C6D3E4_hP102_158_ab_12d_2d_d_ab2c:Ca-O-P-S-Ta +mp-2712658,NaCaTaP2SO12,-7.6998715941,-2.7271370264,0.1063964633,0.1063964633,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ca-Na-O-P-S-Ta,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_72a_12a_a_a:Ca-Na-O-P-S-Ta, expected NaCaTaP12SO72 to be NaCaTaP2SO12" +mp-2714390,Na3Ca4Ta2P3(SO6)6,-7.3237859281,-2.6044353542,0.0551244603,0.0551244603,GGA,P3c1,A4B3C36D3E6F2_hP108_158_ab2c_abc_12d_d_2d_ab:Ca-Na-O-P-S-Ta,108.0,A4B3C36D3E6F2_hP108_158_ab2c_abc_12d_d_2d_ab:Ca-Na-O-P-S-Ta +mp-2712686,Na9Ca10Ta2P3(S5O24)3,-6.9439735188,-2.5284552807000003,0.0502077601,0.0502077601,GGA,P1,A10B9C72D3E15F2_aP111_1_10a_9a_72a_3a_15a_2a:Ca-Na-O-P-S-Ta,111.0,A10B9C72D3E15F2_aP111_1_10a_9a_72a_3a_15a_2a:Ca-Na-O-P-S-Ta +mp-2713506,Na6Ca5TaP3(SO6)6,-6.9762859111,-2.6085608388,0.0526498803,0.0526498803,GGA,Cc,A5B6C36D3E6F_mC228_9_5a_6a_36a_3a_6a_a:Ca-Na-O-P-S-Ta,114.0,"Invalid WP multiplicities - A5B6C36D3E6F_mC228_9_5a_7a_60a_4a_9a_a:Ca-Na-O-P-S-Ta, expected Na7Ca5TaP4(S3O20)3 to be Na6Ca5TaP3(SO6)6" +mp-2712956,CaTaP(SO6)2,-7.6724215256,-2.5600777441,0.051590357,0.051590357,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ca-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ca-O-P-S-Ta, expected CaTaPS3O20 to be CaTaP(SO6)2" +mp-2715871,Na3Ca2Ta2P5SO24,-7.722913035,-2.8143232412,0.0936201446,0.0936201446,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ca-Na-O-P-S-Ta,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ca-Na-O-P-S-Ta +mp-2716136,Na3Ca4Ta8P15(SO24)3,-8.1920903011,-2.8909220073,0.0361581293,0.0361581293,GGA,P1,A4B3C72D15E3F8_aP105_1_4a_3a_72a_15a_3a_8a:Ca-Na-O-P-S-Ta,105.0,A4B3C72D15E3F8_aP105_1_4a_3a_72a_15a_3a_8a:Ca-Na-O-P-S-Ta +mp-2713566,Na6Ca4Ta2P6(SO12)3,-7.3584566072,-2.7506835408,0.068736487,0.068736487,GGA,Cc,A4B6C36D6E3F2_mC228_9_4a_6a_36a_6a_3a_2a:Ca-Na-O-P-S-Ta,114.0,"Invalid WP multiplicities - A4B6C36D6E3F2_mC228_9_4a_7a_60a_9a_4a_2a:Ca-Na-O-P-S-Ta, expected Na7Ca4Ta2P9(SO15)4 to be Na6Ca4Ta2P6(SO12)3" +mp-2714950,Na15Ca8Ta4P15(SO24)3,-7.381092234,-2.8248164787,0.0544056353,0.0544056353,GGA,P1,A8B15C72D15E3F4_aP117_1_8a_15a_72a_15a_3a_4a:Ca-Na-O-P-S-Ta,117.0,A8B15C72D15E3F4_aP117_1_8a_15a_72a_15a_3a_4a:Ca-Na-O-P-S-Ta +mp-2714223,Na3Ca8Ta4P3(S5O24)3,-7.2894659417,-2.509544721,0.0290931582,0.0290931582,GGA,P1,A8B3C72D3E15F4_aP105_1_8a_3a_72a_3a_15a_4a:Ca-Na-O-P-S-Ta,105.0,A8B3C72D3E15F4_aP105_1_8a_3a_72a_3a_15a_4a:Ca-Na-O-P-S-Ta +mp-2716326,NaCa2Ta2P3(SO8)3,-7.7024210827,-2.6618763254,0.0750767176,0.0750767176,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ca-Na-O-P-S-Ta,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ca-Na-O-P-S-Ta +mp-2714820,Na15Ca10Ta2P9(SO8)9,-7.0068092494,-2.6844264115,0.0448983706,0.0448983706,GGA,P1,A10B15C72D9E9F2_aP117_1_10a_15a_72a_9a_9a_2a:Ca-Na-O-P-S-Ta,117.0,A10B15C72D9E9F2_aP117_1_10a_15a_72a_9a_9a_2a:Ca-Na-O-P-S-Ta +mp-2715861,Na21Ca10Ta2P15(SO24)3,-7.0586078343,-2.8202740162,0.0251137869,0.0251137869,GGA,P1,A10B21C72D15E3F2_aP123_1_10a_21a_72a_15a_3a_2a:Ca-Na-O-P-S-Ta,123.0,A10B21C72D15E3F2_aP123_1_10a_21a_72a_15a_3a_2a:Ca-Na-O-P-S-Ta +mp-2713795,Na9Ca8Ta4P9(SO8)9,-7.3468455836,-2.6847915676,0.0602518507,0.0602518507,GGA,P1,A8B9C72D9E9F4_aP111_1_8a_9a_72a_9a_9a_4a:Ca-Na-O-P-S-Ta,111.0,A8B9C72D9E9F4_aP111_1_8a_9a_72a_9a_9a_4a:Ca-Na-O-P-S-Ta +mp-2712581,Na9Ca5TaP6(SO12)3,-7.0422149344,-2.7629072191,0.0283359995,0.0283359995,GGA,Cc,A5B9C36D6E3F_mC240_9_5a_9a_36a_6a_3a_a:Ca-Na-O-P-S-Ta,120.0,"Invalid WP multiplicities - A5B9C36D6E3F_mC240_9_5a_14a_72a_12a_6a_a:Ca-Na-O-P-S-Ta, expected Na14Ca5TaP12(SO12)6 to be Na9Ca5TaP6(SO12)3" +mp-2714401,Na3Ta2Zn4P3(SO6)6,-6.9427808394,-2.2786788781,0.0268188979,0.0268188979,GGA,P3c1,A3B36C3D6E2F4_hP108_158_abc_12d_d_2d_ab_ab2c:Na-O-P-S-Ta-Zn,108.0,A3B36C3D6E2F4_hP108_158_abc_12d_d_2d_ab_ab2c:Na-O-P-S-Ta-Zn +mp-2713434,Ta4Zn2P6(SO12)3,-7.9754010373,-2.6240175866,0.0073074791,0.0073074791,GGA,P3c1,A36B6C3D4E2_hP102_158_12d_2d_d_ab2c_ab:O-P-S-Ta-Zn,102.0,A36B6C3D4E2_hP102_158_12d_2d_d_ab2c_ab:O-P-S-Ta-Zn +mp-2713050,TaZnP(SO6)2,-7.3634900351,-2.2950201518,0.0328985275,0.0328985275,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Ta-Zn,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Ta-Zn, expected TaZnPS3O20 to be TaZnP(SO6)2" +mp-2713892,Na9Ta4Zn8P9(SO8)9,-6.981137785,-2.3728391758000003,0.0485963939,0.0485963939,GGA,P1,A9B72C9D9E4F8_aP111_1_9a_72a_9a_9a_4a_8a:Na-O-P-S-Ta-Zn,111.0,A9B72C9D9E4F8_aP111_1_9a_72a_9a_9a_4a_8a:Na-O-P-S-Ta-Zn +mp-2715885,Na3Ta2Zn2P5SO24,-7.4850046787,-2.6167314401,0.0608420647,0.0608420647,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Ta-Zn,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Ta-Zn +mp-2716008,Na21Ta2Zn10P15(SO24)3,-6.6473065184,-2.4696114214,0.0635855293,0.0635855293,GGA,P1,A21B72C15D3E2F10_aP123_1_21a_72a_15a_3a_2a_10a:Na-O-P-S-Ta-Zn,123.0,A21B72C15D3E2F10_aP123_1_21a_72a_15a_3a_2a_10a:Na-O-P-S-Ta-Zn +mp-2716124,Na3Ta8Zn4P15(SO24)3,-8.0080201995,-2.7352654779,0.0186441092,0.0186441092,GGA,P1,A3B72C15D3E8F4_aP105_1_3a_72a_15a_3a_8a_4a:Na-O-P-S-Ta-Zn,105.0,A3B72C15D3E8F4_aP105_1_3a_72a_15a_3a_8a_4a:Na-O-P-S-Ta-Zn +mp-2713282,Na9Ta2Zn10P3(S5O24)3,-6.4617718426,-2.113447863,0.0378557664,0.0378557664,GGA,P1,A9B72C3D15E2F10_aP111_1_9a_72a_3a_15a_2a_10a:Na-O-P-S-Ta-Zn,111.0,A9B72C3D15E2F10_aP111_1_9a_72a_3a_15a_2a_10a:Na-O-P-S-Ta-Zn +mp-2714669,Na15Ta2Zn10P9(SO8)9,-6.5606219714,-2.3019875326,0.0625048214,0.0625048214,GGA,P1,A15B72C9D9E2F10_aP117_1_15a_72a_9a_9a_2a_10a:Na-O-P-S-Ta-Zn,117.0,A15B72C9D9E2F10_aP117_1_15a_72a_9a_9a_2a_10a:Na-O-P-S-Ta-Zn +mp-2712694,Na9TaZn5P6(SO12)3,-6.6122673109,-2.3951142848,0.0600663112,0.0600663112,GGA,Cc,A9B36C6D3EF5_mC240_9_9a_36a_6a_3a_a_5a:Na-O-P-S-Ta-Zn,120.0,"Invalid WP multiplicities - A9B36C6D3EF5_mC240_9_14a_72a_12a_6a_a_5a:Na-O-P-S-Ta-Zn, expected Na14TaZn5P12(SO12)6 to be Na9TaZn5P6(SO12)3" +mp-2716467,NaTa2Zn2P3(SO8)3,-7.4201301559,-2.4222057569,0.0438433837,0.0438433837,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Ta-Zn,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Ta-Zn +mp-2714048,Na3Ta4Zn8P3(S5O24)3,-6.8833123664,-2.1602182901,0.0110932181,0.0110932181,GGA,P1,A3B72C3D15E4F8_aP105_1_3a_72a_3a_15a_4a_8a:Na-O-P-S-Ta-Zn,105.0,A3B72C3D15E4F8_aP105_1_3a_72a_3a_15a_4a_8a:Na-O-P-S-Ta-Zn +mp-2713304,Na6Ta2Zn4P6(SO12)3,-7.0119822161,-2.4565499405,0.0615897171,0.0615897171,GGA,Cc,A6B36C6D3E2F4_mC228_9_6a_36a_6a_3a_2a_4a:Na-O-P-S-Ta-Zn,114.0,"Invalid WP multiplicities - A6B36C6D3E2F4_mC228_9_7a_60a_9a_4a_2a_4a:Na-O-P-S-Ta-Zn, expected Na7Ta2Zn4P9(SO15)4 to be Na6Ta2Zn4P6(SO12)3" +mp-2714941,Na15Ta4Zn8P15(SO24)3,-7.0478900379,-2.5426130019,0.0620993312,0.0620993312,GGA,P1,A15B72C15D3E4F8_aP117_1_15a_72a_15a_3a_4a_8a:Na-O-P-S-Ta-Zn,117.0,A15B72C15D3E4F8_aP117_1_15a_72a_15a_3a_4a_8a:Na-O-P-S-Ta-Zn +mp-2712717,NaTaZnP2SO12,-7.4553400174,-2.5240419091,0.0590914722,0.0590914722,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Ta-Zn,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_72a_12a_a_a_a:Na-O-P-S-Ta-Zn, expected NaTaZnP12SO72 to be NaTaZnP2SO12" +mp-2713160,Na6TaZn5P3(SO6)6,-6.514241179,-2.2119420954,0.0563060738,0.0563060738,GGA,Cc,A6B36C3D6EF5_mC228_9_6a_36a_3a_6a_a_5a:Na-O-P-S-Ta-Zn,114.0,"Invalid WP multiplicities - A6B36C3D6EF5_mC228_9_7a_60a_4a_9a_a_5a:Na-O-P-S-Ta-Zn, expected Na7TaZn5P4(S3O20)3 to be Na6TaZn5P3(SO6)6" +mp-2713627,Na3Mg3ZrPS5O24,-6.8576873328,-2.4757360471,0.0156504464,0.0156504464,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Zr,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Mg-Na-O-P-S-Zr +mp-2714060,NaMg2Zr2PS5O24,-7.2824066158,-2.5271332568,0.011238718,0.011238718,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Zr,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Mg-Na-O-P-S-Zr +mp-2716069,Na3MgZr3P5SO24,-7.8626895699,-2.9671639134000003,0.0288118115,0.0288118115,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Zr,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Mg-Na-O-P-S-Zr +mp-2713350,Na4Mg3ZrP2(SO6)4,-6.8847944284,-2.5497529678,0.0371728072,0.0371728072,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Zr,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Mg-Na-O-P-S-Zr +mp-2714350,NaMgZrP(SO6)2,-7.3147429935,-2.6193556186,0.0266164297,0.0266164297,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Mg-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Mg-Na-O-P-S-Zr, expected NaMgZrPS3O20 to be NaMgZrP(SO6)2" +mp-2714712,Na5Mg3ZrP3(SO8)3,-6.9188559753,-2.6283187077,0.0475995575,0.0475995575,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Mg-Na-O-P-S-Zr +mp-2716551,NaMgZr3P3(SO8)3,-7.8204596459,-2.7937255481000003,0.0131470833,0.0131470833,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Zr,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Mg-Na-O-P-S-Zr +mp-2713618,Na2MgZrP2SO12,-7.3651542896,-2.7800832011,0.0516525115,0.0516525115,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Mg-Na-O-P-S-Zr,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Mg-Na-O-P-S-Zr, expected Na2MgZrP7SO60 to be Na2MgZrP2SO12" +mp-2713727,Na3Mg2Zr2P3(SO8)3,-7.3561640297,-2.7174255586,0.0271237438,0.0271237438,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Zr,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Mg-Na-O-P-S-Zr +mp-2715852,Na7Mg3ZrP5SO24,-6.9807568001,-2.7727151097,0.0214838223,0.0214838223,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Zr,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Mg-Na-O-P-S-Zr +mp-2712564,Na2MgZr3P4(SO12)2,-7.8469082527,-2.887600715,0.0200554003,0.0200554003,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Zr,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Mg-Na-O-P-S-Zr +mp-2713005,MgZr3P2(SO6)4,-7.7895714424,-2.6914445162,0.0076159028,0.0076159028,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Zr,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Mg-O-P-S-Zr +mp-2715029,Na5Mg2Zr2P5SO24,-7.3954527639,-2.8612968845,0.0307751683,0.0307751683,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Mg-Na-O-P-S-Zr +mp-2712638,Na6Mg3ZrP4(SO12)2,-6.9536786775,-2.7054203932,0.0348927788,0.0348927788,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Zr,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Mg-Na-O-P-S-Zr +mp-25456,Li2CuPCO7,-6.841174545,-2.0756877632,0.033904839,0.033904839,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cu-Li-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_8e2f_e:C-Cu-Li-O-P, expected Li2CuPCO12 to be Li2CuPCO7" +mp-775900,NaLiCu(PO3)3,-6.911593167,-2.3722091169,0.0877593538,0.0877593538,GGA,P2_12_12_1,ABCD9E3_oP60_19_a_a_a_9a_3a:Cu-Li-Na-O-P,60.0,"Invalid WP multiplicities - ABCD9E3_oP60_19_a_a_a_33a_9a:Cu-Li-Na-O-P, expected NaLiCu(P3O11)3 to be NaLiCu(PO3)3" +mp-771150,Na6Cu2P(CO4)4,-6.6636748388,-1.918552461,0.0505562902,0.0505562902,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Cu-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:C-Cu-Na-O-P, expected Na6Cu2P(CO5)4 to be Na6Cu2P(CO4)4" +mp-776432,Na2LiCuPCO7,-6.6048001219,-2.1492640372,0.0382815425,0.0382815425,GGA,P2_1/m,ABCD2E7F_mP26_11_e_e_e_f_5ef_e:C-Cu-Li-Na-O-P,26.0,"Invalid WP multiplicities - ABCD2E7F_mP26_11_e_e_e_f_9e2f_e:C-Cu-Li-Na-O-P, expected Na2LiCuPCO13 to be Na2LiCuPCO7" +mp-770935,Na3CuPCO7,-6.5245650965,-2.1141365174,0.0354813893,0.0354813893,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cu-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Cu-Na-O-P, expected Na5CuPCO13 to be Na3CuPCO7" +mp-767526,Na3CuPCO7,-6.5518559046,-2.1414273255,0.0081905813,0.0081905813,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Na-O-P,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Na-O-P +mp-772755,Li3CuPCO7,-6.7449002977,-2.1991492017,0.0493864619,0.0493864619,GGA,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Cu-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_4_a_a_5a_13a_a:C-Cu-Li-O-P, expected Li5CuPCO13 to be Li3CuPCO7" +mp-25460,Li3CuPCO7,-6.7542193365,-2.2084682405,0.0400674231,0.0400674231,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Li-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_e2f_9e2f_e:C-Cu-Li-O-P, expected Li5CuPCO13 to be Li3CuPCO7" +mp-1176393,Na2LiCu(PO3)4,-6.947827565,-2.4644948307,0.0409179915,0.0409179915,GGA,Cc,ABC2D12E4_mC80_9_a_a_2a_12a_4a:Cu-Li-Na-O-P,40.0,"Invalid WP multiplicities - ABC2D12E4_mC80_9_a_a_4a_24a_8a:Cu-Li-Na-O-P, expected Na4LiCu(PO3)8 to be Na2LiCu(PO3)4" +mp-25466,LiCuPCO7,-6.8691074591,-1.8439330487,0.0747377099,0.0747377099,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cu-Li-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_12a_a:C-Cu-Li-O-P, expected LiCuPCO12 to be LiCuPCO7" +mp-767534,Na2CuPCO7,-6.7074335983,-2.0396797454,0.0,-0.002762418,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cu-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Cu-Na-O-P, expected Na2CuPCO13 to be Na2CuPCO7" +mp-775936,Na3LiCuPCO7,-6.3513643982,-2.1196147986,0.0920496286,0.0920496286,GGA,P2_1/m,ABCD3E7F_mP28_11_e_e_a_ef_5ef_e:C-Cu-Li-Na-O-P,28.0,"Invalid WP multiplicities - ABCD3E7F_mP28_11_e_e_a_2ef_9e2f_e:C-Cu-Li-Na-O-P, expected Na4LiCuPCO13 to be Na3LiCuPCO7" +mp-1176382,Na2LiCuP2O7,-6.5225751885,-2.3605285642,0.080733217,0.080733217,GGA,C2,ABC2D7E2_mC52_5_c_c_2c_ab6c_2c:Cu-Li-Na-O-P,26.0,"Invalid WP multiplicities - ABC2D7E2_mC52_5_c_c_4c_ab12c_4c:Cu-Li-Na-O-P, expected Na4LiCuP4O13 to be Na2LiCuP2O7" +mp-776424,Na2LiCuP2O7,-6.5155963198,-2.3535496955,0.0877120856,0.0877120856,GGA,P2_1/c,ABC2D7E2_mP52_14_e_e_2e_7e_2e:Cu-Li-Na-O-P,52.0,"Invalid WP multiplicities - ABC2D7E2_mP52_14_e_e_5e_25e_5e:Cu-Li-Na-O-P, expected Na5LiCu(PO5)5 to be Na2LiCuP2O7" +mp-1196794,KZn2Ru2C4(ClO12)2,-5.8084302977,-0.6224029947,0.7577473603,0.7577473603,GGA,C2/m,A4B2CD24E2F2_mC140_12_2j_2i_i_12j_2i_ef:C-Cl-K-O-Ru-Zn,70.0,A4B2CD24E2F2_mC140_12_2j_2i_i_12j_2i_ef:C-Cl-K-O-Ru-Zn +mp-1202772,KRu2C4(ClO4)2,-6.9036907572,-1.0304878744,0.5651800848,0.5651800848,GGA,P4_2/n,A4B2CD8E2_tP68_86_2g_g_e_4g_g:C-Cl-K-O-Ru,68.0,A4B2CD8E2_tP68_86_2g_g_e_4g_g:C-Cl-K-O-Ru +mp-630391,CsZnAgC4(SN)4,-6.4241708348,-0.3045612933,0.0885862848,0.0885862848,GGA,P2_1/c,AB4CD4E4F_mP60_14_e_4e_e_4e_4e_e:Ag-C-Cs-N-S-Zn,60.0,"Invalid WP multiplicities - AB4CD4E4F_mP60_14_e_11e_e_13e_13e_e:Ag-C-Cs-N-S-Zn, expected CsZnAgC11(SN)13 to be CsZnAgC4(SN)4" +mp-648573,ZnAg2C4(SN)4,-6.3612060557,-0.1124529387,0.1329020781,0.1329020781,GGA,Cc,A2B4C4D4E_mC60_9_2a_4a_4a_4a_a:Ag-C-N-S-Zn,30.0,"Invalid WP multiplicities - A2B4C4D4E_mC60_15_f_4f_6f_4f_e:Ag-C-N-S-Zn, expected ZnAg2C8(S2N3)4 to be ZnAg2C4(SN)4" +mp-559335,ZnAg2C4(SN)4,-6.369072429,-0.1203193121,0.1250357047,0.1250357047,GGA,C2/c,A2B4C4D4E_mC60_15_f_2f_2f_2f_e:Ag-C-N-S-Zn,30.0,"Invalid WP multiplicities - A2B4C4D4E_mC60_15_f_5f_6f_4f_e:Ag-C-N-S-Zn, expected ZnAg2C10(S2N3)4 to be ZnAg2C4(SN)4" +mp-571548,SbH16C4N2Cl5,-4.8889580967,-0.5588526296,0.0487745228,0.0487745228,GGA,Pnma,A4B5C16D2E_oP112_62_2d_3cd_8d_d_c:C-Cl-H-N-Sb,112.0,"Invalid WP multiplicities - A4B5C16D2E_oP112_62_10d_10c6d_52d_d_c:C-Cl-H-N-Sb, expected SbH104C20(NCl11)2 to be SbH16C4N2Cl5" +mp-709030,Sb2H30C9(NCl3)3,-4.9313552612,-0.5022215258,0.0654525982,0.0654525982,GGA,Pc,A9B9C30D3E2_mP106_7_9a_9a_30a_3a_2a:C-Cl-H-N-Sb,106.0,A9B9C30D3E2_mP106_7_9a_9a_30a_3a_2a:C-Cl-H-N-Sb +mp-733489,SbHC2NCl11,-4.2228972928,-0.8073062644000001,0.0054754226,0.0054754226,GGA,P2_1/c,A2B11CDE_mP64_14_2e_11e_e_e_e:C-Cl-H-N-Sb,64.0,A2B11CDE_mP64_14_2e_11e_e_e_e:C-Cl-H-N-Sb +mp-569604,SbH18C3(NCl2)3,-4.8070402608,-0.6462411878000001,0.0296927548,0.0296927548,GGA,P2_1/c,A3B6C18D3E_mP124_14_3e_6e_18e_3e_e:C-Cl-H-N-Sb,124.0,"Invalid WP multiplicities - A3B6C18D3E_mP124_14_10e_21e_72e_5e_e:C-Cl-H-N-Sb, expected SbH72C10N5Cl21 to be SbH18C3(NCl2)3" +mp-1247565,Sb4Te3N2,-4.7556118094,-0.0201770883,0.1965289085,0.1965289085,GGA,Pnma,A2B4C3_oP36_62_d_2cd_cd:N-Sb-Te,36.0,A2B4C3_oP36_62_d_2cd_cd:N-Sb-Te +mp-570177,TeH20C6(NCl3)2,-4.8706049158,-0.4667754998,0.0608904905,0.0608904905,GGA,Pa-3,A6B6C20D2E_cP140_205_d_d_c3d_c_a:C-Cl-H-N-Te,140.0,"Invalid WP multiplicities - A6B6C20D2E_cP140_205_d_d_6c48d_c_a:C-Cl-H-N-Te, expected TeH300C6(NCl3)2 to be TeH20C6(NCl3)2" +mp-1220561,SbH6C(NCl2)3,-4.9204079841,-0.8136592937,0.0015098363,0.0015098363,GGA,P-1,AB6C6D3E_aP34_2_i_6i_6i_3i_bc:C-Cl-H-N-Sb,34.0,"Invalid WP multiplicities - AB6C6D3E_aP34_2_i_8i_12i_5i_bc:C-Cl-H-N-Sb, expected SbH12CN5Cl8 to be SbH6C(NCl2)3" +mp-703545,SbH6C(NCl2)3,-4.9205527179,-0.8138040275,0.0013651025,0.0013651025,GGA,P2_1/c,AB6C6D3E_mP68_14_e_6e_6e_3e_ad:C-Cl-H-N-Sb,68.0,AB6C6D3E_mP68_14_e_6e_6e_3e_ad:C-Cl-H-N-Sb +mp-1197706,TeH4C4(NCl3)2,-4.9854814997,-0.1976531554,0.4469217441,0.4469217441,GGA,Pnnm,A4B6C4D2E_oP34_58_2g_gh_h_g_a:C-Cl-H-N-Te,34.0,A4B6C4D2E_oP34_58_2g_gh_h_g_a:C-Cl-H-N-Te +mp-1198102,Sb2H24C6(NCl3)3,-4.8371024708,-0.5938812156000001,0.0465480305,0.0465480305,GGA,Pc,A6B9C24D3E2_mP88_7_6a_9a_24a_3a_2a:C-Cl-H-N-Sb,88.0,A6B9C24D3E2_mP88_7_6a_9a_24a_3a_2a:C-Cl-H-N-Sb +mp-1245707,SbTeN,-5.1478636883,0.0550703311,0.2698677312,0.2698677312,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Sb-Te,6.0,ABC_tP6_129_a_c_c:N-Sb-Te +mp-849325,SbH4NCl6,-4.0898519983,-0.9958836396,0.0,-0.0350816542,GGA,C2/c,A6B4CD_mC48_15_3f_2f_e_c:Cl-H-N-Sb,24.0,"Invalid WP multiplicities - A6B4CD_mC48_15_7f_7f_e_a:Cl-H-N-Sb, expected SbH14NCl14 to be SbH4NCl6" +mp-1217518,TeH4C2(NCl)6,-5.3068081879,-0.2393486843,0.3427566889,0.3427566889,GGA,P-1,A2B6C4D6E_aP19_2_i_3i_2i_3i_a:C-Cl-H-N-Te,19.0,A2B6C4D6E_aP19_2_i_3i_2i_3i_a:C-Cl-H-N-Te +mp-708994,SbH32C8N4Cl7,-4.9634621195,-0.4863218322,0.0657940845,0.0657940845,GGA,P2_12_12,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Sb,104.0,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Sb +mp-1201099,Sb2Te3H2C(NCl9)2,-3.8285584349,-0.8411053109000001,0.1924377253,0.1924377253,GGA,P2_1/c,AB18C2D2E2F3_mP112_14_e_18e_2e_2e_2e_3e:C-Cl-H-N-Sb-Te,112.0,AB18C2D2E2F3_mP112_14_e_18e_2e_2e_2e_3e:C-Cl-H-N-Sb-Te +mp-738686,SbH24C6(NCl2)3,-4.9691037429,-0.5434256426,0.0281192066,0.0281192066,GGA,P-1,A6B6C24D3E_aP80_2_6i_6i_24i_3i_i:C-Cl-H-N-Sb,80.0,A6B6C24D3E_aP80_2_6i_6i_24i_3i_i:C-Cl-H-N-Sb +mp-1204053,SbH12C6(N3Cl2)3,-5.9503115699,-0.4699180104,0.1073819021,0.1073819021,GGA,P2_12_12_1,A6B6C12D9E_oP136_19_6a_6a_12a_9a_a:C-Cl-H-N-Sb,136.0,A6B6C12D9E_oP136_19_6a_6a_12a_9a_a:C-Cl-H-N-Sb +mp-600198,TeH21C7(NCl2)3,-5.0464644887,-0.4387824882,0.1063685922,0.1063685922,GGA,P2_1/c,A7B6C21D3E_mP152_14_7e_6e_21e_3e_e:C-Cl-H-N-Te,152.0,"Invalid WP multiplicities - A7B6C21D3E_mP152_14_24e_20e_83e_10e_e:C-Cl-H-N-Te, expected TeH83C24(NCl2)10 to be TeH21C7(NCl2)3" +mp-601211,SbH12C5N3Cl4,-5.3148595026,-0.3793125963,0.2407426798,0.2407426798,GGA,P2_1/c,A5B4C12D3E_mP200_14_10e_8e_24e_6e_2e:C-Cl-H-N-Sb,200.0,"Invalid WP multiplicities - A5B4C12D3E_mP200_14_40e_31e_95e_19e_7e:C-Cl-H-N-Sb, expected Sb7H95C40N19Cl31 to be SbH12C5N3Cl4" +mp-677704,Sb2H10C3NCl9,-3.6688059764,0.1249773945,0.914788597,0.914788597,GGA,P1,A3B9C10DE2_aP50_1_6a_18a_20a_2a_4a:C-Cl-H-N-Sb,50.0,A3B9C10DE2_aP50_1_6a_18a_20a_2a_4a:C-Cl-H-N-Sb +mp-705514,SbHC3(NCl3)3,-5.2204357065,-0.6996099137,0.0,-0.0268254431,GGA,P2_1/c,A3B9CD3E_mP68_14_3e_9e_e_3e_e:C-Cl-H-N-Sb,68.0,A3B9CD3E_mP68_14_3e_9e_e_3e_e:C-Cl-H-N-Sb +mp-770941,Li4Mn3Nb2Fe3O16,-7.9812860932,-2.2712350063,0.0239186063,0.0239186063,GGA+U,Cm,A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a4b:Fe-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B4C3D2E16_mC56_8_ab_4a_ab_2a_8a6b:Fe-Li-Mn-Nb-O, expected Li4Mn3Nb2Fe3O20 to be Li4Mn3Nb2Fe3O16" +mp-1177427,Li4Mn3NbFe2(PO4)6,-7.8442631013,-2.5101773784,0.1056149728,0.1056149728,GGA+U,P1,A2B4C3DE24F6_aP40_1_2a_4a_3a_a_24a_6a:Fe-Li-Mn-Nb-O-P,40.0,A2B4C3DE24F6_aP40_1_2a_4a_3a_a_24a_6a:Fe-Li-Mn-Nb-O-P +mp-1221840,Mn2NbFeO6,-8.943029639,-2.2854807288,0.0594486132,0.0594486132,GGA+U,R3,AB2CD6_hR30_146_a_2a_a_2b:Fe-Mn-Nb-O,10.0,AB2CD6_hR30_146_a_2a_a_2b:Fe-Mn-Nb-O +mp-1221970,Mn3Nb8FeO24,-9.3805153289,-2.8392087601,0.0006064985,0.0006064985,GGA+U,P2,AB3C8D24_mP36_3_a_bcd_4e_12e:Fe-Mn-Nb-O,36.0,"Invalid WP multiplicities - AB3C8D24_mP36_3_a_bcd_6e_18e:Fe-Mn-Nb-O, expected Mn3Nb12FeO36 to be Mn3Nb8FeO24" +mp-1221926,MnNb8(FeO8)3,-9.2761683425,-2.7733058894,0.0010960507,0.0010960507,GGA+U,P2,A3BC8D24_mP36_3_abc_d_4e_12e:Fe-Mn-Nb-O,36.0,"Invalid WP multiplicities - A3BC8D24_mP36_3_abc_d_6e_18e:Fe-Mn-Nb-O, expected MnNb12(FeO12)3 to be MnNb8(FeO8)3" +mp-762415,Li4Mn3Nb3(FeO8)2,-8.13817314,-2.3698619163,0.1023633461,0.1023633461,GGA+U,P1,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Mn-Nb-O,28.0,A2B4C3D3E16_aP28_1_2a_4a_3a_3a_16a:Fe-Li-Mn-Nb-O +mp-758630,Li4Mn3Nb3(FeO8)2,-8.1270677675,-2.3587565438,0.1134687186,0.1134687186,GGA+U,Cm,A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a4b:Fe-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A2B4C3D3E16_mC56_8_2a_4a_ab_ab_8a6b:Fe-Li-Mn-Nb-O, expected Li4Mn3Nb3(FeO10)2 to be Li4Mn3Nb3(FeO8)2" +mp-1221858,MnNb4FeO12,-9.3280277953,-2.8059432843,0.001165315,0.001165315,GGA+U,P2_12_12,ABC4D12_oP36_18_a_b_2c_6c:Fe-Mn-Nb-O,36.0,ABC4D12_oP36_18_a_b_2c_6c:Fe-Mn-Nb-O +mp-776208,Mn3NbFe2(PO4)6,-8.180330809400001,-2.4656714359,0.0796363492,0.0796363492,GGA+U,R3,A2B3CD24E6_hR108_146_2a_3a_a_8b_2b:Fe-Mn-Nb-O-P,36.0,"Invalid WP multiplicities - A2B3CD24E6_hR108_146_2a_3a_a_22b_3b:Fe-Mn-Nb-O-P, expected Mn3NbFe2(P3O22)3 to be Mn3NbFe2(PO4)6" +mp-769626,Li4Mn2Nb3Fe3O16,-8.0815666368,-2.3379694875,0.1074692521,0.1074692521,GGA+U,Cm,A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a4b:Fe-Li-Mn-Nb-O,28.0,"Invalid WP multiplicities - A3B4C2D3E16_mC56_8_ab_4a_2a_ab_8a6b:Fe-Li-Mn-Nb-O, expected Li4Mn2Nb3Fe3O20 to be Li4Mn2Nb3Fe3O16" +mp-755993,Mn3Nb2Fe3O16,-8.34031,-1.9967375431,0.1060401293,0.1060401293,GGA+U,Cm,A3B3C2D16_mC48_8_ab_ab_2a_8a4b:Fe-Mn-Nb-O,24.0,"Invalid WP multiplicities - A3B3C2D16_mC48_8_ab_ab_2a_8a6b:Fe-Mn-Nb-O, expected Mn3Nb2Fe3O20 to be Mn3Nb2Fe3O16" +mp-775988,Mn2NbFe3(PO4)6,-8.2154977822,-2.5200604666,0.0072616717,0.0072616717,GGA+U,R3,A3B2CD24E6_hR108_146_3a_2a_a_8b_2b:Fe-Mn-Nb-O-P,36.0,"Invalid WP multiplicities - A3B2CD24E6_hR108_146_3a_2a_a_22b_2b:Fe-Mn-Nb-O-P, expected Mn2NbFe3(PO11)6 to be Mn2NbFe3(PO4)6" +mp-1196197,Na2MnH4(SO5)2,-6.2422682139,-1.8676494295,0.0068732359,0.0068732359,GGA+U,P2_1/c,A4BC2D10E2_mP38_14_2e_a_e_5e_e:H-Mn-Na-O-S,38.0,A4BC2D10E2_mP38_14_2e_a_e_5e_e:H-Mn-Na-O-S +mp-1221479,Na3Mn2CuH10S4O17,-5.977068028,-1.6268631322,0.0698608986,0.0698608986,GGA+U,P2_1,AB10C2D3E17F4_mP74_4_a_10a_2a_3a_17a_4a:Cu-H-Mn-Na-O-S,74.0,AB10C2D3E17F4_mP74_4_a_10a_2a_3a_17a_4a:Cu-H-Mn-Na-O-S +mp-766680,MnCu4H14(SO9)2,-5.7173597701,-1.3488904589,0.0416434267,0.0416434267,GGA+U,C2,A4B14CD18E2_mC156_5_4c_14c_c_18c_2c:Cu-H-Mn-O-S,78.0,"Invalid WP multiplicities - A4B14CD18E2_mC156_5_7c_27c_c_35c_3c:Cu-H-Mn-O-S, expected MnCu7H27S3O35 to be MnCu4H14(SO9)2" +mp-1180020,NaMn3CuH24(SO6)4,-5.8464903598,-1.4675512115,0.0515752658,0.0515752658,GGA+U,R3c,AB24C3DE24F4_hR342_161_a_8b_b_a_8b_ab:Cu-H-Mn-Na-O-S,114.0,AB24C3DE24F4_hR342_161_a_8b_b_a_8b_ab:Cu-H-Mn-Na-O-S +mp-1199501,Na12MnCu2H16(SO4)8,-5.6275671395,-1.6993983146,0.0838417314,0.0838417314,GGA+U,P2_1/c,A2B16CD12E32F8_mP142_14_e_8e_a_6e_16e_4e:Cu-H-Mn-Na-O-S,142.0,A2B16CD12E32F8_mP142_14_e_8e_a_6e_16e_4e:Cu-H-Mn-Na-O-S +mp-1201488,Na2CaNi2P4(H5O6)4,-6.067845777,-1.8331441954,0.0168447323,0.0168447323,GGA+U,Fdd2,AB20C2D2E24F4_oF424_43_a_10b_b_b_12b_2b:Ca-H-Na-Ni-O-P,106.0,AB20C2D2E24F4_oF424_43_a_10b_b_b_12b_2b:Ca-H-Na-Ni-O-P +mp-683793,Fe4Te2MoC14(SO7)2,-7.5298232199,-0.5638717247,0.6557706292000001,0.6557706292000001,GGA+U,Pna2_1,A14B4CD14E2F2_oP148_33_14a_4a_a_14a_2a_2a:C-Fe-Mo-O-S-Te,148.0,"Invalid WP multiplicities - A14B4CD14E2F2_oP148_33_47a_14a_a_53a_3a_3a:C-Fe-Mo-O-S-Te, expected Fe14Te3MoC47S3O53 to be Fe4Te2MoC14(SO7)2" +mp-560520,Fe3TeC9SO9,-7.4891163254,-0.5209420983,0.6893793884,0.6893793884,GGA+U,P-1,A9B3C9DE_aP46_2_9i_3i_9i_i_i:C-Fe-O-S-Te,46.0,A9B3C9DE_aP46_2_9i_3i_9i_i_i:C-Fe-O-S-Te +mp-1201879,HgCSN3Cl2,-5.4711806119,-0.1742613845,0.2589138097,0.2589138097,GGA,P2_1/c,AB2CD3E_mP32_14_e_2e_e_3e_e:C-Cl-Hg-N-S,32.0,AB2CD3E_mP32_14_e_2e_e_3e_e:C-Cl-Hg-N-S +mp-1104712,HgCS(NCl)2,-4.3231007079,0.5395934199,1.0346507847,1.0346507847,GGA,P2_1,AB2CD2E_mP14_4_a_2a_a_2a_a:C-Cl-Hg-N-S,14.0,AB2CD2E_mP14_4_a_2a_a_2a_a:C-Cl-Hg-N-S +mp-1214018,CdC2S2(N2Cl)2,-5.7512839427,0.1301863753,0.6174194146,0.6174194146,GGA,Pmn2_1,A2BC2D4E2_oP22_31_b_a_2a_2b_b:C-Cd-Cl-N-S,22.0,A2BC2D4E2_oP22_31_b_a_2a_2b_b:C-Cd-Cl-N-S +mp-1182214,CdC2S2(N4Cl)2,-6.533372617,0.0027709296,0.3600751584,0.3600751584,GGA,P2_1/c,A2BC2D8E2_mP30_14_e_a_e_4e_e:C-Cd-Cl-N-S,30.0,A2BC2D8E2_mP30_14_e_a_e_4e_e:C-Cd-Cl-N-S +mp-556367,CdHgC4(SN)4,-6.3547777621,-0.0667055291,0.1759491215,0.1759491215,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Cd-Hg-N-S,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Cd-Hg-N-S +mp-559882,HgCSNCl,-5.03850967,-0.2677442081,0.1746084191,0.1746084191,GGA,Pnma,ABCDE_oP20_62_c_c_c_c_c:C-Cl-Hg-N-S,20.0,ABCDE_oP20_62_c_c_c_c_c:C-Cl-Hg-N-S +mp-680331,CdHg3C6S6(N3Cl)2,-5.8048371035,-0.1489760252,0.1872470822,0.1872470822,GGA,R3c,A6BC2D3E6F6_hR288_161_4b_2a_ab_2b_4b_4b:C-Cd-Cl-Hg-N-S,96.0,"Invalid WP multiplicities - A6BC2D3E6F6_hR288_161_19b_4a_2a2b_8b_20b_21b:C-Cd-Cl-Hg-N-S, expected Cd4Hg24C57S63(N15Cl2)4 to be CdHg3C6S6(N3Cl)2" +mp-2712745,NaZrInP2SO12,-7.4766501452,-2.6463596414,0.0207596405,0.0207596405,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:In-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:In-Na-O-P-S-Zr, expected NaZrInP7SO60 to be NaZrInP2SO12" +mp-2716494,NaZr2In2P3(SO8)3,-7.4416624674,-2.5476316045000003,0.0185710791,0.0185710791,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Zr,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:In-Na-O-P-S-Zr +mp-2713079,ZrInP(SO6)2,-7.3905040293,-2.4289833743,0.0227493447,0.0227493447,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:In-O-P-S-Zr,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:In-O-P-S-Zr, expected ZrInPS3O20 to be ZrInP(SO6)2" +mp-2715890,Na3Zr2In2P5SO24,-7.5133341585,-2.743338589,0.0192423399,0.0192423399,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:In-Na-O-P-S-Zr +mp-1001793,KCoCl3,-4.189181978,-1.4363166336,0.0873904744,0.0873904744,GGA,R3c,A3BC_hR30_161_b_a_a:Cl-Co-K,10.0,A3BC_hR30_161_b_a_a:Cl-Co-K +mp-654372,K2CoCl4,-4.125283904,-1.7362464284,0.0197077109,-0.0250565611,GGA,Cc,A4BC2_mC336_9_48a_12a_24a:Cl-Co-K,168.0,"Invalid WP multiplicities - A4BC2_mC336_9_95a_22a_48a:Cl-Co-K, expected K48Co22Cl95 to be K2CoCl4" +mp-571314,K2CoCl4,-4.1438687075,-1.7548312319,0.0011229074,-0.0436413646,GGA,P2_1/c,A4BC2_mP28_14_4e_e_2e:Cl-Co-K,28.0,"Invalid WP multiplicities - A4BC2_mP28_14_12e_e_5e:Cl-Co-K, expected K5CoCl12 to be K2CoCl4" +mp-23515,K2CoCl4,-4.1449916149,-1.7559541393,0.0,-0.044764272,GGA,Pna2_1,A4BC2_oP84_33_12a_3a_6a:Cl-Co-K,84.0,A4BC2_oP84_33_12a_3a_6a:Cl-Co-K +mp-561754,KGaCoC4Cl3O4,-6.4593863414,-1.2098263729,0.265959535,0.265959535,GGA+U,P2_1/c,A4B3CDEF4_mP56_14_4e_3e_e_e_e_4e:C-Cl-Co-Ga-K-O,56.0,"Invalid WP multiplicities - A4B3CDEF4_mP56_14_14e_11e_e_e_e_13e:C-Cl-Co-Ga-K-O, expected KGaCoC14Cl11O13 to be KGaCoC4Cl3O4" +mp-1201482,NaMo2H25(C4O5)2,-5.7252874582,-0.7007616388,0.2080181563,0.2080181563,GGA+U,P2_1/c,A8B25C2DE10_mP184_14_8e_25e_2e_e_10e:C-H-Mo-Na-O,184.0,A8B25C2DE10_mP184_14_8e_25e_2e_e_10e:C-H-Mo-Na-O +mp-1198806,NaMo3H29C8(BrO2)4,-5.3303607994,-0.5782197074000001,0.2498696211,0.2498696211,GGA+U,P-1,A4B8C29D3EF8_aP106_2_4i_8i_29i_3i_i_8i:Br-C-H-Mo-Na-O,106.0,A4B8C29D3EF8_aP106_2_4i_8i_29i_3i_i_8i:Br-C-H-Mo-Na-O +mp-558939,Na3MoH6(CO2)6,-6.8081227989,-1.454485665,0.107724259,0.107724259,GGA+U,Pccn,A6B6CD3E12_oP112_56_3e_3e_c_de_6e:C-H-Mo-Na-O,112.0,"Invalid WP multiplicities - A6B6CD3E12_oP112_56_14e_20e_c_3d4e_40e:C-H-Mo-Na-O, expected Na11MoH40(C7O20)4 to be Na3MoH6(CO2)6" +mp-24046,NaAlH24(SO10)2,-5.5805160431,-1.5450952064,0.0014899221,0.0014899221,GGA,Pa-3,AB24CD20E2_cP192_205_a_4d_b_c3d_c:Al-H-Na-O-S,192.0,"Invalid WP multiplicities - AB24CD20E2_cP192_205_a_6d_b_c3d_c:Al-H-Na-O-S, expected NaAlH36(SO10)2 to be NaAlH24(SO10)2" +mp-729027,NaMn6Al3H42(SO19)2,-6.0636909768,-1.6476810944,0.0,-0.0037048852,GGA+U,R-3,A3B42C6DE38F2_hR276_148_ac_7f_f_b_c6f_c:Al-H-Mn-Na-O-S,92.0,A3B42C6DE38F2_hR276_148_ac_7f_f_b_c6f_c:Al-H-Mn-Na-O-S +mp-1199345,NaAlH12(SO7)2,-5.8155489718,-1.7053037933,0.0,-0.0040103889,GGA,P2_1/c,AB12CD14E2_mP120_14_e_12e_e_14e_2e:Al-H-Na-O-S,120.0,AB12CD14E2_mP120_14_e_12e_e_14e_2e:Al-H-Na-O-S +mp-721300,Ca2B5H2ClO10,-7.5455244507,-2.7700727268,0.0076373066,0.0076373066,GGA,P1,A5B2CD2E10_aP60_1_15a_6a_3a_6a_30a:B-Ca-Cl-H-O,60.0,A5B2CD2E10_aP60_1_15a_6a_3a_6a_30a:B-Ca-Cl-H-O +mp-24595,Ca2B5H2ClO10,-7.549151444,-2.7736997202,0.0040103133,0.0040103133,GGA,P1,A5B2CD2E10_aP20_1_5a_2a_a_2a_10a:B-Ca-Cl-H-O,20.0,A5B2CD2E10_aP20_1_5a_2a_a_2a_10a:B-Ca-Cl-H-O +mp-698170,Ca2B5H2ClO10,-7.543543409,-2.7680916852,0.0096183483,0.0096183483,GGA,Cc,A5B2CD2E10_mC80_9_5a_2a_a_2a_10a:B-Ca-Cl-H-O,40.0,A5B2CD2E10_mC80_9_5a_2a_a_2a_10a:B-Ca-Cl-H-O +mp-1204342,Ca2B3H4ClO8,-6.8838266086,-2.4925862974,0.0,-0.0029436595,GGA,P2_1/c,A3B2CD4E8_mP72_14_3e_2e_e_4e_8e:B-Ca-Cl-H-O,72.0,A3B2CD4E8_mP72_14_3e_2e_e_4e_8e:B-Ca-Cl-H-O +mp-1233800,CaCu2B2H8(ClO4)2,-5.7257992435,-1.6399214986,0.1067800486,0.1067800486,GGA,P-4,A2BC2D2E8F8_tP23_81_ac_b_g_g_2h_2h:B-Ca-Cl-Cu-H-O,23.0,"Invalid WP multiplicities - A2BC2D2E8F8_tP23_81_ac_b_g_g_4h_4h:B-Ca-Cl-Cu-H-O, expected CaCu2B2H16(ClO8)2 to be CaCu2B2H8(ClO4)2" +mp-752783,Ca2CuB2(HO)12,-6.0255618186,-1.8344526101,0.0357443225,0.0357443225,GGA,P-1,A2B2CD12E12_aP29_2_i_i_a_6i_6i:B-Ca-Cu-H-O,29.0,"Invalid WP multiplicities - A2B2CD12E12_aP29_2_i_i_a_11i_11i:B-Ca-Cu-H-O, expected Ca2CuB2(HO)22 to be Ca2CuB2(HO)12" +mp-1210468,SrCaB14H5O26,-7.2347151903,-2.0690957256,0.5977665640000001,0.5977665640000001,GGA,P2_1/c,A14BC5D26E_mP188_14_14e_e_5e_26e_e:B-Ca-H-O-Sr,188.0,A14BC5D26E_mP188_14_14e_e_5e_26e_e:B-Ca-H-O-Sr +mp-1208782,SrCaB11H7O22,-7.5649521308,-2.5710322076,0.0,-0.0023071252,GGA,P2_1,A11BC7D22E_mP84_4_11a_a_7a_22a_a:B-Ca-H-O-Sr,84.0,A11BC7D22E_mP84_4_11a_a_7a_22a_a:B-Ca-H-O-Sr +mp-557330,Sr2B5ClO9,-7.9639377646,-3.0730741868,0.0,-0.0344979894,GGA,Pnn2,A5BC9D2_oP68_34_5c_ab_9c_2c:B-Cl-O-Sr,68.0,"Invalid WP multiplicities - A5BC9D2_oP68_34_14c_2ab_34c_5c:B-Cl-O-Sr, expected Sr10B28Cl3O68 to be Sr2B5ClO9" +mp-24705,SrCaB5H2ClO10,-7.540424595,-2.7807781925,0.0102874051,0.0102874051,GGA,P1,A5BCD2E10F_aP20_1_5a_a_a_2a_10a_a:B-Ca-Cl-H-O-Sr,20.0,A5BCD2E10F_aP20_1_5a_a_a_2a_10a_a:B-Ca-Cl-H-O-Sr +mp-555203,Sr5B3ClO9,-7.3823871008,-3.2238105653,0.0,-0.00685657,GGA,C222_1,A3BC9D5_oC72_20_ac_b_a4c_a2bc:B-Cl-O-Sr,36.0,"Invalid WP multiplicities - A3BC9D5_oC72_20_2a3c_b_2a14c_2a3b3c:B-Cl-O-Sr, expected Sr11B8ClO30 to be Sr5B3ClO9" +mp-2716222,Na6Y2Sc2Si3(SO8)3,-7.3489595454,-2.8254879215,0.0916695621,0.0916695621,GGA,P1,A6B24C3D2E3F2_aP120_1_18a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Y,120.0,A6B24C3D2E3F2_aP120_1_18a_72a_9a_6a_9a_6a:Na-O-S-Sc-Si-Y +mp-2713328,Na2YScSi(SO6)2,-7.4203923708,-2.7623674706,0.0689800321,0.0689800321,GGA,P1,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-S-Sc-Si-Y,114.0,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-S-Sc-Si-Y +mp-2714007,YSc(SO4)3,-7.5841909812,-2.6095701368,0.0069752065,0.0069752065,GGA,P321,A12B3CD_hP102_150_12g_ef2g_3d_2cd:O-S-Sc-Y,102.0,"Invalid WP multiplicities - A12B3CD_hP102_150_20g_ef4g_5d_3cd:O-S-Sc-Y, expected Y4Sc5(SO4)15 to be YSc(SO4)3" +mp-2714399,Na2Y2Sc2SiS5O24,-7.4960237994,-2.6884952589,0.0434478675,0.0434478675,GGA,P1,A2B24C5D2EF2_aP108_1_6a_72a_15a_6a_3a_6a:Na-O-S-Sc-Si-Y,108.0,A2B24C5D2EF2_aP108_1_6a_72a_15a_6a_3a_6a:Na-O-S-Sc-Si-Y +mp-2715816,Na14Y4Sc4Si7S5O48,-7.3117894053,-2.8506717387,0.0896120291,0.0896120291,GGA,P1,A14B48C5D4E7F4_aP246_1_42a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Y,246.0,A14B48C5D4E7F4_aP246_1_42a_144a_15a_12a_21a_12a:Na-O-S-Sc-Si-Y +mp-2714507,Na4YScSi2SO12,-7.2820050859,-2.8802721404,0.0762652508,0.0762652508,GGA,P1,A4B12CDE2F_aP126_1_24a_72a_6a_6a_12a_6a:Na-O-S-Sc-Si-Y,126.0,A4B12CDE2F_aP126_1_24a_72a_6a_6a_12a_6a:Na-O-S-Sc-Si-Y +mp-2715034,Na10Y4Sc4Si5S7O48,-7.3796277449,-2.7906045248,0.0847480963,0.0847480963,GGA,P1,A10B48C7D4E5F4_aP234_1_30a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Y,234.0,A10B48C7D4E5F4_aP234_1_30a_144a_21a_12a_15a_12a:Na-O-S-Sc-Si-Y +mp-1216126,Y4ScSi10,-6.2039281047,-0.4404925141,0.101901627,0.101901627,GGA,P6/mmm,AB10C4_hP15_191_a_d2h_2e:Sc-Si-Y,15.0,"Invalid WP multiplicities - AB10C4_hP15_191_a_2d7h_3e:Sc-Si-Y, expected Y6ScSi32 to be Y4ScSi10" +mp-7792,YScS3,-7.328090181,-2.2864322172,0.0089082102,0.0089082102,GGA,Pnma,A3BC_oP20_62_cd_a_c:S-Sc-Y,20.0,A3BC_oP20_62_cd_a_c:S-Sc-Y +mp-2713911,Na6Y4Sc4Si3(S3O16)3,-7.4640703565,-2.7333139556,0.0516497737,0.0516497737,GGA,P1,A6B48C9D4E3F4_aP222_1_18a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Y,222.0,A6B48C9D4E3F4_aP222_1_18a_144a_27a_12a_9a_12a:Na-O-S-Sc-Si-Y +mp-1215915,YScS2,-7.4368179225,-2.1688579345,0.01358674,0.01358674,GGA,R-3m,A2BC_hR12_166_c_a_b:S-Sc-Y,4.0,A2BC_hR12_166_c_a_b:S-Sc-Y +mp-2714229,Na2Y4Sc4SiS11O48,-7.53280561,-2.6441179505,0.0317748241,0.0317748241,GGA,P1,A2B48C11D4EF4_aP210_1_6a_144a_33a_12a_3a_12a:Na-O-S-Sc-Si-Y,210.0,A2B48C11D4EF4_aP210_1_6a_144a_33a_12a_3a_12a:Na-O-S-Sc-Si-Y +mp-1207607,YScSi2O7,-8.9340000282,-3.6361457321,0.0077736382,0.0077736382,GGA,C2,A7BC2D_mC22_5_b3c_a_c_a:O-Sc-Si-Y,11.0,A7BC2D_mC22_5_b3c_a_c_a:O-Sc-Si-Y +mp-1216112,Y5Sc5Si6,-6.7467723506,-0.7126092711,0.0048165241,0.0048165241,GGA,Amm2,A5B6C5_oC32_38_af_abde_bde:Sc-Si-Y,16.0,A5B6C5_oC32_38_af_abde_bde:Sc-Si-Y +mp-23398,BClF6,-4.5569165253,-2.0573162458,0.0,-0.0203283522,GGA,P2_1/c,ABC6_mP32_14_e_e_6e:B-Cl-F,32.0,ABC6_mP32_14_e_e_6e:B-Cl-F +mp-754459,BCl(OF2)2,-5.1986895325,-1.9402868171,0.0090364556,-0.0917661897,GGA,Cc,ABC4D2_mC32_9_a_a_4a_2a:B-Cl-F-O,16.0,"Invalid WP multiplicities - ABC4D2_mC32_9_a_a_8a_4a:B-Cl-F-O, expected BCl(OF2)4 to be BCl(OF2)2" +mp-557856,BCl(OF2)2,-5.2077259881,-1.9493232727,0.0,-0.1008026453,GGA,Cc,ABC4D2_mC32_9_a_a_4a_2a:B-Cl-F-O,16.0,"Invalid WP multiplicities - ABC4D2_mC32_9_a_a_6a_3a:B-Cl-F-O, expected BCl(OF2)3 to be BCl(OF2)2" +mp-1103527,BaBClF4,-6.0164901971,-3.4318017342,0.0,-0.01090989,GGA,Pmn2_1,ABCD4_oP14_31_a_a_a_2ab:B-Ba-Cl-F,14.0,ABCD4_oP14_31_a_a_a_2ab:B-Ba-Cl-F +mp-1199057,Ba4NaB10Cl(O9F)2,-7.8275958292,-3.0913671025,0.005352625,0.005352625,GGA,P2_1/c,A10B4CD2EF18_mP72_14_5e_2e_a_e_c_9e:B-Ba-Cl-F-Na-O,72.0,A10B4CD2EF18_mP72_14_5e_2e_a_e_c_9e:B-Ba-Cl-F-Na-O +mp-2713127,Na2ZnGaP(SO6)2,-6.3695964079,-2.1601565661,0.0752847991,0.0752847991,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Ga-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Ga-Na-O-P-S-Zn, expected Na2ZnGaPS3O20 to be Na2ZnGaP(SO6)2" +mp-2712632,Na3Zn2Ga2PS5O24,-6.3204753213,-2.0675202927,0.044491938,0.044491938,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ga-Na-O-P-S-Zn,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ga-Na-O-P-S-Zn +mp-2714758,Na5Zn2Ga2P3(SO8)3,-6.4152492026,-2.2470929994,0.0854337507,0.0854337507,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ga-Na-O-P-S-Zn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ga-Na-O-P-S-Zn +mp-2716043,Na7Zn2Ga2P5SO24,-6.5217987529,-2.430168319,0.0613084576,0.0613084576,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ga-Na-O-P-S-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ga-Na-O-P-S-Zn +mp-1215443,ZnGaPS,-4.1723685025,-0.712970501,0.0235183314,0.0235183314,GGA,R3m,ABCD_hR12_160_a_a_a_a:Ga-P-S-Zn,4.0,ABCD_hR12_160_a_a_a_a:Ga-P-S-Zn +mp-2714932,Na4ZnGa(PO4)3,-6.5647500406,-2.5086494282,0.0470774859,0.0470774859,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Ga-Na-O-P-Zn,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Ga-Na-O-P-Zn, expected Na4ZnGa(PO12)3 to be Na4ZnGa(PO4)3" +mp-2714162,Na7ZnGa3(PO4)6,-6.7006961382,-2.5347924104,0.0373598504,0.0373598504,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ga-Na-O-P-Zn,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Ga-Na-O-P-Zn +mp-2712652,Na3ZnGaP2SO12,-6.4610750701,-2.3321383237,0.0918758085,0.0918758085,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ga-Na-O-P-S-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Ga-Na-O-P-S-Zn, expected Na8ZnGaP7SO60 to be Na3ZnGaP2SO12" +mp-2715867,Na3Hf2Al2P5SO24,-7.8694374589,-2.96952943,0.0434887709,0.0434887709,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Al-Hf-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Al-Hf-Na-O-P-S +mp-2716297,NaHf2Al2P3(SO8)3,-7.8159528193,-2.7845859278,0.0269697112,0.0269697112,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Al-Hf-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Al-Hf-Na-O-P-S +mp-2712765,NaHfAlP2SO12,-7.8430141924,-2.8792025497,0.0366465477,0.0366465477,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Al-Hf-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Al-Hf-Na-O-P-S, expected NaHfAlP7SO60 to be NaHfAlP2SO12" +mp-2713094,HfAlP(SO6)2,-7.7737016589,-2.6708056804,0.0258874696,0.0258874696,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Al-Hf-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Al-Hf-O-P-S, expected HfAlPS3O20 to be HfAlP(SO6)2" +mp-1246395,Zn3(CrN2)2,-6.3222616756,-0.0521166233,0.3230019717,0.3230019717,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Cr-N-Zn,18.0,A2B4C3_mC36_15_f_2f_ef:Cr-N-Zn +mp-1245399,Zn3CrN3,-5.6099794664,-0.1182990271,0.16641439,0.16641439,GGA,P6_3/mmc,AB3C3_hP14_194_c_h_h:Cr-N-Zn,14.0,AB3C3_hP14_194_c_h_h:Cr-N-Zn +mp-1245698,ZnCrN2,-7.300645335,-0.4042001025,0.0178083169,0.0178083169,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Cr-N-Zn,16.0,AB2C_oP16_33_a_2a_a:Cr-N-Zn +mp-728124,ZnCrH15N5Cl4F,-5.0835265091,-0.9060531021,0.0,-0.0298528178,GGA+U,Cmc2_1,A4BCD15E5F_oC108_36_2ab_a_a_a7b_a2b_a:Cl-Cr-F-H-N-Zn,54.0,A4BCD15E5F_oC108_36_2ab_a_a_a7b_a2b_a:Cl-Cr-F-H-N-Zn +mp-1384482,Zn2CrN2,-5.765338327,0.003766581,0.3413733165,0.3413733165,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Cr-N-Zn,10.0,AB2C2_mC20_12_i_2i_2i:Cr-N-Zn +mp-1029458,Zn2CrN3,-6.5291688975,-0.3321656533,0.0,-0.0538257628,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Cr-N-Zn,12.0,AB3C2_oC24_36_a_ab_b:Cr-N-Zn +mp-1392959,Zn(CrN)2,-7.15230826,0.29545742,0.848686794,0.848686794,GGA,P-4m2,A2B2C_tP5_115_e_g_b:Cr-N-Zn,5.0,A2B2C_tP5_115_e_g_b:Cr-N-Zn +mp-2712854,AlGeP(SO6)2,-7.0335224069,-2.2444006151,0.0239075694,0.0239075694,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Al-Ge-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Al-Ge-O-P-S, expected AlGePS3O20 to be AlGeP(SO6)2" +mp-2715827,Na3Al2Ge2P5SO24,-7.2092932023,-2.5977182098,0.0394607902,0.0394607902,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Al-Ge-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Al-Ge-Na-O-P-S +mp-2716431,NaAl2Ge2P3(SO8)3,-7.1000805986,-2.373522917,0.0407671311,0.0407671311,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Al-Ge-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Al-Ge-Na-O-P-S +mp-2712618,NaAlGeP2SO12,-7.1691210987,-2.5016517435,0.032541242,0.032541242,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Al-Ge-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Al-Ge-Na-O-P-S, expected NaAlGeP7SO60 to be NaAlGeP2SO12" +mp-2713183,HfGeP2SO12,-7.8431654868,-2.6135457044,0.015433195,0.015433195,GGA,P1,ABC12D2E_aP102_1_6a_6a_72a_12a_6a:Ge-Hf-O-P-S,102.0,ABC12D2E_aP102_1_6a_6a_72a_12a_6a:Ge-Hf-O-P-S +mp-2716239,NaHf2Ge2P5SO24,-7.8792876282,-2.7248176129,0.0397342124,0.0397342124,GGA,P1,A2B2CD24E5F_aP105_1_6a_6a_3a_72a_15a_3a:Ge-Hf-Na-O-P-S,105.0,A2B2CD24E5F_aP105_1_6a_6a_3a_72a_15a_3a:Ge-Hf-Na-O-P-S +mp-1200653,SnH6C2S,-4.9027225428,-0.2067516451,0.1218692815,0.1218692815,GGA,P4_32_12,A2B6CD_tP120_96_3b_9b_ab_ab:C-H-S-Sn,120.0,A2B6CD_tP120_96_3b_9b_ab_ab:C-H-S-Sn +mp-773893,SnSb2H24C8(SCl)2,-4.8262907773,-0.2239242027,0.1267211002,0.1267211002,GGA,P2_1/c,A8B2C24D2E2F_mP78_14_4e_e_12e_e_e_a:C-Cl-H-S-Sb-Sn,78.0,"Invalid WP multiplicities - A8B2C24D2E2F_mP78_14_13e_e_45e_e_e_a:C-Cl-H-S-Sb-Sn, expected SnSb2H90C26(SCl)2 to be SnSb2H24C8(SCl)2" +mp-1203285,SnH12C4(SCl2)2,-4.7383133522000005,-0.5077049722,0.0063447221,0.0063447221,GGA,P2_1/c,A4B4C12D2E_mP46_14_2e_2e_6e_e_a:C-Cl-H-S-Sn,46.0,A4B4C12D2E_mP46_14_2e_2e_6e_e_a:C-Cl-H-S-Sn +mp-772970,Na3MnSiBO7,-7.0743157038,-2.4696140152,0.0197699644,0.0197699644,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-Si,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Mn-Na-O-Si +mp-1197081,NaMn2Si3BH2O11,-7.8023955617,-2.6123490791,0.0,-0.0012004911,GGA+U,P-1,AB2C2DE11F3_aP40_2_i_2i_2i_i_11i_3i:B-H-Mn-Na-O-Si,40.0,AB2C2DE11F3_aP40_2_i_2i_2i_i_11i_3i:B-H-Mn-Na-O-Si +mp-757458,Tl8Os8O27,-6.9985073842,-1.3640729698,0.0069160364,0.0069160364,GGA,P-4m2,A27B8C8_tP43_115_aef3ghil_jk_jk:O-Os-Tl,43.0,"Invalid WP multiplicities - A27B8C8_tP43_115_a2e2f6ghi2l_j2k_2jk:O-Os-Tl, expected Tl4Os4O15 to be Tl8Os8O27" +mp-556622,Tl2OsCBr2OF3,-5.4164855047,-1.5196353558,0.0141041392,0.0141041392,GGA,P2_1/c,A2BC3DEF2_mP80_14_4e_2e_6e_2e_2e_4e:Br-C-F-O-Os-Tl,80.0,"Invalid WP multiplicities - A2BC3DEF2_mP80_14_13e_4e_21e_8e_4e_12e:Br-C-F-O-Os-Tl, expected Tl12Os4C4Br13O8F21 to be Tl2OsCBr2OF3" +mp-867626,Tl3Os3O10,-7.0103436645,-1.3705362369,0.0,-0.0123860352,GGA,I4_1/amd,A10B3C3_tI128_141_4egi_ch_dh:O-Os-Tl,64.0,"Invalid WP multiplicities - A10B3C3_tI128_141_14e2g5i_2c3h_2d3h:O-Os-Tl, expected Tl4Os4O19 to be Tl3Os3O10" +mp-1202903,TiH19C6N3Cl2,-5.4363161167000005,-0.3899987644,0.1404656391,0.1404656391,GGA,P2_1/c,A6B2C19D3E_mP124_14_6e_2e_19e_3e_e:C-Cl-H-N-Ti,124.0,A6B2C19D3E_mP124_14_6e_2e_19e_3e_e:C-Cl-H-N-Ti +mp-1203619,TiH16C4(NCl3)2,-5.0820466734,-0.7076335522,0.0545167178,0.0545167178,GGA,Pnnm,A4B6C16D2E_oP58_58_2g_gh_2g3h_g_a:C-Cl-H-N-Ti,58.0,A4B6C16D2E_oP58_58_2g_gh_2g3h_g_a:C-Cl-H-N-Ti +mp-1195393,TiH42N14Cl3,-5.1131021668,-0.5689934196,0.004844642,0.004844642,GGA,P2/c,A3B42C14D_mP120_13_eg_21g_7g_f:Cl-H-N-Ti,120.0,A3B42C14D_mP120_13_eg_21g_7g_f:Cl-H-N-Ti +mp-1203989,TiAsH18C6N3Cl4,-5.33717301,-0.4462850221,0.1625923611,0.1625923611,GGA,P2_1/c,AB6C4D18E3F_mP132_14_e_6e_4e_18e_3e_e:As-C-Cl-H-N-Ti,132.0,AB6C4D18E3F_mP132_14_e_6e_4e_18e_3e_e:As-C-Cl-H-N-Ti +mp-2712674,NaScSnP2SO12,-7.4080066672,-2.6309019079,0.0202905509,0.0202905509,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Sc-Sn,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Sc-Sn, expected NaScSnP7SO60 to be NaScSnP2SO12" +mp-2715990,Na3Sc2Sn2P5SO24,-7.4393492325,-2.7211019549,0.0176210544,0.0176210544,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Sn,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Sn +mp-2713043,ScSnP(SO6)2,-7.3059366701,-2.4007303327,0.0197356559,0.0197356559,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Sc-Sn,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Sc-Sn, expected ScSnPS3O20 to be ScSnP(SO6)2" +mp-2716351,NaSc2Sn2P3(SO8)3,-7.3533432042,-2.5140176784,0.0412970607,0.0412970607,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Sn,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Sn +mp-2715138,Na5Ca2Zr2P5SO24,-7.4636184009,-2.9086768891,0.0408245501,0.0408245501,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Zr,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Zr +mp-2716354,NaCaZr3P3(SO8)3,-7.8633468261,-2.8250321617000003,0.022228999,0.022228999,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Zr,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Zr +mp-2713258,Na2CaZrP2SO12,-7.428614101,-2.8222103898,0.0704951169,0.0704951169,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Ca-Na-O-P-S-Zr,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Ca-Na-O-P-S-Zr, expected Na2CaZrP7SO60 to be Na2CaZrP2SO12" +mp-2712654,Na6Ca3ZrP4(SO12)2,-7.0587060719,-2.7800488004,0.0452964057,0.0452964057,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Zr,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Zr +mp-2714029,NaCa2Zr2PS5O24,-7.3662443699,-2.5878098778,0.0201927892,0.0201927892,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Zr,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Zr +mp-2716024,Na7Ca3ZrP5SO24,-7.085464268,-2.8477650291,0.0282159775,0.0282159775,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Zr,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Zr +mp-2712703,Na2CaZr3P4(SO12)2,-7.8836979045,-2.9131314827,0.0344330203,0.0344330203,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Zr,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Zr +mp-2714464,NaCaZrP(SO6)2,-7.3780496569,-2.6601445136,0.06564431,0.06564431,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Ca-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Ca-Na-O-P-S-Zr, expected NaCaZrPS3O20 to be NaCaZrP(SO6)2" +mp-2713126,Na4Ca3ZrP2(SO6)4,-7.0027811044,-2.6357407098,0.0618334864,0.0618334864,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Zr,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Zr +mp-2712978,CaZr3P2(SO6)4,-7.8340642603,-2.7240161626,0.0054426116,0.0054426116,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Zr,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Zr +mp-2715908,Na3CaZr3P5SO24,-7.8951602694,-2.9886800229,0.0386045152,0.0386045152,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Zr,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Zr +mp-2713964,Na3Ca2Zr2P3(SO8)3,-7.4437766313,-2.7831289802,0.0435353206,0.0435353206,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Zr,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Zr +mp-2713571,Na3Ca3ZrPS5O24,-6.9865953623,-2.5717803066,0.039102252,0.039102252,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Zr,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Zr +mp-2714912,Na5Ca3ZrP3(SO8)3,-7.034646714,-2.7129309979,0.0520969662,0.0520969662,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Zr,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Zr +mp-2713342,HfZrP2SO12,-8.4770132317,-3.0165303449,9.10523e-05,9.10523e-05,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Zr,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Hf-O-P-S-Zr +mp-2716186,NaHf2Zr2P5SO24,-8.4913581577,-3.1126211268,0.0054145203,0.0054145203,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Zr,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Hf-Na-O-P-S-Zr +mp-2715187,Na15Mg8Nb4P15(SO24)3,-7.195822971,-2.7273117371,0.0311121461,0.0311121461,GGA,P1,A8B15C4D72E15F3_aP117_1_8a_15a_4a_72a_15a_3a:Mg-Na-Nb-O-P-S,117.0,A8B15C4D72E15F3_aP117_1_8a_15a_4a_72a_15a_3a:Mg-Na-Nb-O-P-S +mp-2716532,NaMg2Nb2P3(SO8)3,-7.4722611416,-2.5552473798,0.0333345787,0.0333345787,GGA,P1,A2BC2D24E3F3_aP105_1_6a_3a_6a_72a_9a_9a:Mg-Na-Nb-O-P-S,105.0,A2BC2D24E3F3_aP105_1_6a_3a_6a_72a_9a_9a:Mg-Na-Nb-O-P-S +mp-2713433,Na6Mg5NbP3(SO6)6,-6.7875290692,-2.4861736766,0.0317331073,0.0317331073,GGA,Cc,A5B6CD36E3F6_mC228_9_5a_6a_a_36a_3a_6a:Mg-Na-Nb-O-P-S,114.0,"Invalid WP multiplicities - A5B6CD36E3F6_mC228_9_5a_7a_a_60a_4a_9a:Mg-Na-Nb-O-P-S, expected Na7Mg5NbP4(S3O20)3 to be Na6Mg5NbP3(SO6)6" +mp-2713250,Na6Mg4Nb2P6(SO12)3,-7.1669043465,-2.6492053941,0.0394415586,0.0394415586,GGA,Cc,A4B6C2D36E6F3_mC228_9_4a_6a_2a_36a_6a_3a:Mg-Na-Nb-O-P-S,114.0,"Invalid WP multiplicities - A4B6C2D36E6F3_mC228_9_4a_7a_2a_60a_9a_4a:Mg-Na-Nb-O-P-S, expected Na7Mg4Nb2P9(SO15)4 to be Na6Mg4Nb2P6(SO12)3" +mp-2713113,MgNbP(SO6)2,-7.4275112659,-2.4423317444,0.028722591,0.028722591,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Mg-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Mg-Nb-O-P-S, expected MgNbPS3O20 to be MgNbP(SO6)2" +mp-2716107,Na3Mg2Nb2P5SO24,-7.5325773723,-2.7408412228,0.0347004665,0.0347004665,GGA,P1,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Mg-Na-Nb-O-P-S,111.0,A2B3C2D24E5F_aP111_1_6a_9a_6a_72a_15a_3a:Mg-Na-Nb-O-P-S +mp-2713648,Na9Mg10Nb2P3(S5O24)3,-6.7536698998,-2.4063151164,0.0135152636,0.0135152636,GGA,P1,A10B9C2D72E3F15_aP111_1_10a_9a_2a_72a_3a_15a:Mg-Na-Nb-O-P-S,111.0,A10B9C2D72E3F15_aP111_1_10a_9a_2a_72a_3a_15a:Mg-Na-Nb-O-P-S +mp-2715812,Na3Mg4Nb2P3(SO6)6,-7.1173147254,-2.493042383,0.0088200143,0.0088200143,GGA,P3c1,A4B3C2D36E3F6_hP108_158_ab2c_abc_ab_12d_d_2d:Mg-Na-Nb-O-P-S,108.0,A4B3C2D36E3F6_hP108_158_ab2c_abc_ab_12d_d_2d:Mg-Na-Nb-O-P-S +mp-2227705,MgNb2(PS)2,-6.7571091171,-0.913909849,0.2901715196,0.2901715196,GGA,Cm,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-Nb-P-S,7.0,AB2C2D2_mC14_8_a_2a_2a_2a:Mg-Nb-P-S +mp-2242174,MgNb2(PS)2,-6.1405309586,-0.2973316904,0.9067496782,0.9067496782,GGA,Imm2,AB2C2D2_oI14_44_a_c_d_c:Mg-Nb-P-S,7.0,AB2C2D2_oI14_44_a_c_d_c:Mg-Nb-P-S +mp-2226538,MgNb2(PS)2,-6.6247813729,-0.7815821047,0.4224992639,0.4224992639,GGA,Immm,AB2C2D2_oI14_71_a_f_h_e:Mg-Nb-P-S,7.0,AB2C2D2_oI14_71_a_f_h_e:Mg-Nb-P-S +mp-2716204,Na3Mg4Nb8P15(SO24)3,-7.923114849,-2.7712137936,0.0105661972,0.0105661972,GGA,P1,A4B3C8D72E15F3_aP105_1_4a_3a_8a_72a_15a_3a:Mg-Na-Nb-O-P-S,105.0,A4B3C8D72E15F3_aP105_1_4a_3a_8a_72a_15a_3a:Mg-Na-Nb-O-P-S +mp-2714308,Na3Mg8Nb4P3(S5O24)3,-7.0655287184,-2.3834022501,0.0065073336,0.0065073336,GGA,P1,A8B3C4D72E3F15_aP105_1_8a_3a_4a_72a_3a_15a:Mg-Na-Nb-O-P-S,105.0,A8B3C4D72E3F15_aP105_1_8a_3a_4a_72a_3a_15a:Mg-Na-Nb-O-P-S +mp-2712750,Na9Mg5NbP6(SO12)3,-6.8660696074,-2.6498130878,0.0267534407,0.0267534407,GGA,Cc,A5B9CD36E6F3_mC240_9_5a_9a_a_36a_6a_3a:Mg-Na-Nb-O-P-S,120.0,"Invalid WP multiplicities - A5B9CD36E6F3_mC240_9_5a_14a_a_72a_12a_6a:Mg-Na-Nb-O-P-S, expected Na14Mg5NbP12(SO12)6 to be Na9Mg5NbP6(SO12)3" +mp-2715978,Na21Mg10Nb2P15(SO24)3,-6.8936785711,-2.7168581145,0.0226022758,0.0226022758,GGA,P1,A10B21C2D72E15F3_aP123_1_10a_21a_2a_72a_15a_3a:Mg-Na-Nb-O-P-S,123.0,A10B21C2D72E15F3_aP123_1_10a_21a_2a_72a_15a_3a:Mg-Na-Nb-O-P-S +mp-2713993,Na9Mg8Nb4P9(SO8)9,-7.1463400948,-2.5767946284,0.024315419,0.024315419,GGA,P1,A8B9C4D72E9F9_aP111_1_8a_9a_4a_72a_9a_9a:Mg-Na-Nb-O-P-S,111.0,A8B9C4D72E9F9_aP111_1_8a_9a_4a_72a_9a_9a:Mg-Na-Nb-O-P-S +mp-2712591,NaMgNbP2SO12,-7.5041763799,-2.6515413911,0.0373943232,0.0373943232,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Mg-Na-Nb-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_72a_12a_a:Mg-Na-Nb-O-P-S, expected NaMgNbP12SO72 to be NaMgNbP2SO12" +mp-2714859,Na15Mg10Nb2P9(SO8)9,-6.8284825458,-2.5707676009,0.0354407555,0.0354407555,GGA,P1,A10B15C2D72E9F9_aP117_1_10a_15a_2a_72a_9a_9a:Mg-Na-Nb-O-P-S,117.0,A10B15C2D72E9F9_aP117_1_10a_15a_2a_72a_9a_9a:Mg-Na-Nb-O-P-S +mp-2713164,Mg2Nb4P6(SO12)3,-7.8939473434,-2.6669720786,0.0085979367,0.0085979367,GGA,P3c1,A2B4C36D6E3_hP102_158_ab_ab2c_12d_2d_d:Mg-Nb-O-P-S,102.0,A2B4C36D6E3_hP102_158_ab_ab2c_12d_2d_d:Mg-Nb-O-P-S +mp-567373,LaCN2Cl,-8.049196244000001,-1.5119564225,0.0,-0.1406568219,GGA,P2_1/m,ABCD2_mP10_11_e_e_e_2e:C-Cl-La-N,10.0,"Invalid WP multiplicities - ABCD2_mP10_11_e_e_e_3e:C-Cl-La-N, expected LaCN3Cl to be LaCN2Cl" +mp-1195186,RbLa2C6N6ClO6,-8.3141933073,-1.5972760475,0.0,-0.0802456094,GGA,P6_3/m,A6BC2D6E6F_hP44_176_i_c_f_i_i_d:C-Cl-La-N-O-Rb,44.0,A6BC2D6E6F_hP44_176_i_c_f_i_i_d:C-Cl-La-N-O-Rb +mp-1202339,LaC2ClO7,-6.7736273057,-1.3310186031,0.6894350034000001,0.6894350034000001,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:C-Cl-La-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:C-Cl-La-O +mp-567756,La2CN3Cl,-8.195068625,-1.6295398911,0.0,-0.1206367457,GGA,Cmmm,ABC2D3_oC28_65_e_h_hi_jp:C-Cl-La-N,14.0,"Invalid WP multiplicities - ABC2D3_oC28_65_e_h_2h2i_jp:C-Cl-La-N, expected La4CN3Cl to be La2CN3Cl" +mp-1224684,KAsSe3O,-4.1523838804,-0.6183937977,0.4222905509,0.4222905509,GGA,Cc,ABCD3_mC48_9_2a_2a_2a_6a:As-K-O-Se,24.0,"Invalid WP multiplicities - ABCD3_mC48_9_3a_3a_2a_9a:As-K-O-Se, expected K3As3Se9O2 to be KAsSe3O" +mp-12015,KAg2AsO4,-5.2565774725,-1.353904447,0.0,-0.0086701289,GGA,I-42m,A2BCD4_tI16_121_d_a_b_i:Ag-As-K-O,8.0,A2BCD4_tI16_121_d_a_b_i:Ag-As-K-O +mp-570836,K5Ag2(AsSe3)3,-3.8366350132,-0.8546526313,0.0,-0.0104728487,GGA,Pnma,A2B3C5D9_oP76_62_d_3c_c2d_3c3d:Ag-As-K-Se,76.0,"Invalid WP multiplicities - A2B3C5D9_oP76_62_d_8c_3c11d_11c20d:Ag-As-K-Se, expected K25Ag2As8Se51 to be K5Ag2(AsSe3)3" +mp-672695,KAgCO3,-6.2589020179,-1.5902875885,0.0621410529,0.0155606394,GGA,P1,ABCD3_aP24_1_4a_4a_4a_12a:Ag-C-K-O,24.0,"Invalid WP multiplicities - ABCD3_mC48_9_3a_4a_3a_10a:Ag-C-K-O, expected K3Ag3(C2O5)2 to be KAgCO3" +mp-541966,KAgCO3,-6.3210430708,-1.6524286414,0.0,-0.0465804135,GGA,Ibca,ABCD3_oI48_73_d_c_c_cf:Ag-C-K-O,24.0,ABCD3_oI48_73_d_c_c_cf:Ag-C-K-O +mp-1191888,KAgCO3,-6.2532044775,-1.5845900481,0.0678385933,0.0212581798,GGA,Ibca,ABCD3_oI48_73_d_c_c_cf:Ag-C-K-O,24.0,ABCD3_oI48_73_d_c_c_cf:Ag-C-K-O +mp-1224735,K12Ag4As8CSe20O,-3.9258441576,-0.7514628016,0.1380705571,0.1380705571,GGA,P1,A4B8CD12EF20_aP46_1_4a_8a_a_12a_a_20a:Ag-As-C-K-O-Se,46.0,A4B8CD12EF20_aP46_1_4a_8a_a_12a_a_20a:Ag-As-C-K-O-Se +mp-541915,K2Ag(AsSe2)3,-4.0326954775,-0.6988473126,0.0,-0.0132060365,GGA,P2_1/c,AB3C2D6_mP48_14_e_3e_2e_6e:Ag-As-K-Se,48.0,AB3C2D6_mP48_14_e_3e_2e_6e:Ag-As-K-Se +mp-2713092,TaAl3P2(SO6)4,-7.5186352542,-2.5425341168,0.0212672537,0.0212672537,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Al-O-P-S-Ta,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Al-O-P-S-Ta +mp-2716483,NaTaAl3P3(SO8)3,-7.5635693913,-2.6553746312,0.0275627898,0.0275627898,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Al-Na-O-P-S-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Al-Na-O-P-S-Ta +mp-2715921,Na3TaAl3P5SO24,-7.6310185804,-2.8476247298,0.0376200707,0.0376200707,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Al-Na-O-P-S-Ta,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Al-Na-O-P-S-Ta +mp-2712536,Na2TaAl3P4(SO12)2,-7.6090615563,-2.7650005969,0.030454205,0.030454205,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Al-Na-O-P-S-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Al-Na-O-P-S-Ta +mp-2713423,TaAlP2SO12,-8.0648011756,-2.7749968888,0.0165834173,0.0165834173,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:Al-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:Al-O-P-S-Ta, expected TaAlP7SO60 to be TaAlP2SO12" +mp-2716162,NaTa2Al2P5SO24,-8.1026406405,-2.8897056781,0.0145027089,0.0145027089,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Al-Na-O-P-S-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Al-Na-O-P-S-Ta +mp-2715989,Na3Zr2Al2P5SO24,-7.7518504323,-2.9281309656000003,0.0445309498,0.0445309498,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Zr,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Al-Na-O-P-S-Zr +mp-2712960,ZrAlP(SO6)2,-7.6496986572,-2.629713761,0.0262369212,0.0262369212,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Al-O-P-S-Zr,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Al-O-P-S-Zr, expected ZrAlPS3O20 to be ZrAlP(SO6)2" +mp-2716385,NaZr2Al2P3(SO8)3,-7.6937390058,-2.7429143086,0.0290629332,0.0290629332,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Zr,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Al-Na-O-P-S-Zr +mp-2712804,NaZrAlP2SO12,-7.7190731067,-2.8335663751,0.0422755524,0.0422755524,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Al-Na-O-P-S-Zr,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Al-Na-O-P-S-Zr, expected NaZrAlP7SO60 to be NaZrAlP2SO12" +mp-1032999,Mg6AlCO8,-6.3300996806,-2.4457602236,0.4880952062,0.4880952062,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Al-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Al-C-Mg-O, expected Mg6AlCO12 to be Mg6AlCO8" +mp-1033060,Mg6AlCO8,-6.2540065694,-2.3696671123,0.5641883175,0.5641883175,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Al-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Al-C-Mg-O, expected Mg6AlCO12 to be Mg6AlCO8" +mp-1202242,NaMgH2C3O7,-7.0040807741,-1.859718282,0.0419249517,0.0419249517,GGA,P2_1/c,A3B2CDE7_mP56_14_3e_2e_e_e_7e:C-H-Mg-Na-O,56.0,A3B2CDE7_mP56_14_3e_2e_e_e_7e:C-H-Mg-Na-O +mp-1198421,NaMgAlH18(C2O7)3,-6.3259566133,-1.5970002409,0.0307503382,0.0307503382,GGA,P3c1,AB6C18DEF21_hP288_158_d_6d_18d_abc_d_21d:Al-C-H-Mg-Na-O,288.0,AB6C18DEF21_hP288_158_d_6d_18d_abc_d_21d:Al-C-H-Mg-Na-O +mp-1028322,Mg14AlC,-1.9636094231,0.2475257033,0.2805609502,0.2805609502,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Al-C-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Al-C-Mg, expected Mg18AlC to be Mg14AlC" +mp-1028229,Mg14AlC,-1.936107275,0.2750278514,0.3080630983,0.3080630983,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Al-C-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Al-C-Mg, expected Mg26AlC to be Mg14AlC" +mp-1036461,Mg14AlCO16,-6.3228498834,-2.7439379646,0.2500099,0.2500099,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Al-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Al-C-Mg-O, expected Mg18AlCO20 to be Mg14AlCO16" +mp-1252662,Mg14AlCO16,-6.2940959391,-2.7151840202,0.2787638444,0.2787638444,GGA,Pmmm,ABC14D16_oP32_47_a_f_bejlnpy_cdghikmoz:Al-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_f_be2j2lnpy_cdgh2i2kmoz:Al-C-Mg-O, expected Mg18AlCO20 to be Mg14AlCO16" +mp-1036437,Mg14AlCO16,-6.2899776344,-2.7110657155,0.282882149,0.282882149,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Al-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Al-C-Mg-O, expected Mg30AlCO32 to be Mg14AlCO16" +mp-1023276,Mg6AlC,-2.2629063131,0.5590838897,0.5988091039,0.5988091039,GGA,Amm2,ABC6_oC16_38_a_b_abde:Al-C-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Al-C-Mg, expected Mg12AlC to be Mg6AlC" +mp-1023365,Mg6AlC,-2.500979075,0.3210111278,0.360736342,0.360736342,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Al-C-Mg,8.0,ABC6_oC16_38_a_a_2bde:Al-C-Mg +mp-1222250,Mg4Al2H12CO18,-5.9274417338,-1.795710742,0.1398390799,0.1398390799,GGA,P-62m,A2BC12D4E18_hP37_189_e_a_2i_h_fg2i:Al-C-H-Mg-O,37.0,A2BC12D4E18_hP37_189_e_a_2i_h_fg2i:Al-C-H-Mg-O +mp-699136,NaAlH2CO5,-6.7647741875000005,-2.1832079613,0.000659483,-0.0119583967,GGA,Ima2,ABC2DE5_oI40_46_a_b_2b_b_3bc:Al-C-H-Na-O,20.0,ABC2DE5_oI40_46_a_b_2b_b_3bc:Al-C-H-Na-O +mp-644506,NaAlH2CO5,-6.7654336705,-2.1838674443,0.0,-0.0126178797,GGA,Imma,ABC2DE5_oI40_74_c_e_h_a_ehi:Al-C-H-Na-O,20.0,ABC2DE5_oI40_74_c_e_h_a_ehi:Al-C-H-Na-O +mp-1038195,Mg30AlCO32,-6.307027443,-2.8808292932,0.1431647887,0.1431647887,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Al-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Al-C-Mg-O, expected Mg110AlCO72 to be Mg30AlCO32" +mp-1038189,Mg30AlCO32,-6.3233744925,-2.8971763428,0.1268177392,0.1268177392,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Al-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Al-C-Mg-O, expected Mg90AlCO80 to be Mg30AlCO32" +mp-698350,Na3AlH10C6O17,-6.558278903,-1.6635190866,0.0552670256,0.0552670256,GGA,C2/c,AB6C10D3E17_mC296_15_f_6f_10f_2e2f_17f:Al-C-H-Na-O,148.0,AB6C10D3E17_mC296_15_f_6f_10f_2e2f_17f:Al-C-H-Na-O +mp-9514,Mg(AlC)2,-5.571732134,-0.061979595,0.0071814752,0.0071814752,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Al-C-Mg,5.0,A2B2C_hP5_164_d_d_a:Al-C-Mg +mp-2714187,NaSc2Al2PS5O24,-7.2879197304,-2.5366426997,0.043328956,0.043328956,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Al-Na-O-P-S-Sc,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Al-Na-O-P-S-Sc +mp-2713296,Na2ScAlP2SO12,-7.3945506293,-2.8131603695000003,0.0470305652,0.0470305652,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-P-S-Sc,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-P-S-Sc +mp-2714595,NaScAlP(SO6)2,-7.3427102723,-2.6512082165,0.0379616134,0.0379616134,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Al-Na-O-P-S-Sc,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Al-Na-O-P-S-Sc +mp-2715191,Na5Sc2Al2P5SO24,-7.4174058071,-2.8868363761,0.0481023632,0.0481023632,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-S-Sc,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-S-Sc +mp-2713776,Na3Sc2Al2P3(SO8)3,-7.3740172393,-2.7390590787,0.039779476,0.039779476,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Al-Na-O-P-S-Sc,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Al-Na-O-P-S-Sc +mp-554015,CsK(ClO4)2,-4.8711103417,-1.0980783142,0.0,-0.000813065,GGA,R-3m,A2BCD8_hR36_166_c_a_b_ch:Cl-Cs-K-O,12.0,"Invalid WP multiplicities - A2BCD8_hR36_166_c_a_b_2c3h:Cl-Cs-K-O, expected CsK(ClO11)2 to be CsK(ClO4)2" +mp-1195628,CsK2Mn3P4ClO14,-7.5342925558,-2.5999871643,0.0,-0.0122934822,GGA+U,P2/c,ABC2D3E14F4_mP50_13_e_f_g_eg_7g_2g:Cl-Cs-K-Mn-O-P,50.0,ABC2D3E14F4_mP50_13_e_f_g_eg_7g_2g:Cl-Cs-K-Mn-O-P +mp-759133,Li6VNi3(PO4)6,-7.111447476,-2.3844925405,0.0812230936,0.0812230936,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-V,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Ni-O-P-V +mp-1177236,Li4V3Ni(PO4)4,-7.6195549282,-2.5671343652000003,0.0487253233,0.0487253233,GGA+U,Pm,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Ni-O-P-V,28.0,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Ni-O-P-V +mp-769109,Li6V3Ni(PO4)6,-7.5048442165,-2.6127008115,0.0431423283,0.0431423283,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Ni-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Ni-O-P-V +mp-752716,Li2VNi(PO4)2,-7.4343056229,-2.4998768238,0.0407128379,0.0407128379,GGA+U,P2_1/m,A2BC8D2E_mP28_11_ad_e_4e2f_2e_e:Li-Ni-O-P-V,28.0,"Invalid WP multiplicities - A2BC8D2E_mP28_11_ab_e_7e4f_3e_e:Li-Ni-O-P-V, expected Li2VNi(PO5)3 to be Li2VNi(PO4)2" +mp-760785,Li8VNi3(PO4)6,-7.0631695419,-2.4704066097,0.0702059723,0.0702059723,GGA+U,R3,A8B3C24D6E_hR126_146_2a2b_3a_8b_2b_a:Li-Ni-O-P-V,42.0,"Invalid WP multiplicities - A8B3C24D6E_hR126_146_2a2b_3a_18b_2b_a:Li-Ni-O-P-V, expected Li8VNi3(PO9)6 to be Li8VNi3(PO4)6" +mp-760800,Li7V3Ni(PO4)6,-7.3962987198,-2.5769167913,0.0923515504,0.0923515504,GGA+U,R3,A7BC24D6E3_hR123_146_a2b_a_8b_2b_3a:Li-Ni-O-P-V,41.0,"Invalid WP multiplicities - A7BC24D6E3_hR123_146_a4b_a_18b_2b_3a:Li-Ni-O-P-V, expected Li13V3Ni(PO9)6 to be Li7V3Ni(PO4)6" +mp-757423,Li4VNi3(PO4)4,-7.2469782764,-2.4305412413,0.0227962484,0.0227962484,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Ni-O-P-V,28.0,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Ni-O-P-V +mp-760238,LiVCr(P2O7)2,-7.9561531965,-2.6441185112000003,0.008858788,0.008858788,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Cr-Li-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Cr-Li-O-P-V +mp-760209,LiVCr(P2O7)2,-7.9557965329,-2.6437618476,0.0092154517,0.0092154517,GGA+U,P1,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Cr-Li-O-P-V,42.0,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Cr-Li-O-P-V +mp-766002,LiVCr(P2O7)2,-7.9584749767,-2.6464402914000003,0.0065370079,0.0065370079,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Cr-Li-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Cr-Li-O-P-V +mp-766000,LiVCr(P2O7)2,-7.9581065681,-2.6460718828000003,0.0069054164,0.0069054164,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Cr-Li-O-P-V,42.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Cr-Li-O-P-V +mp-759941,LiVCr(P2O7)2,-7.9560192779,-2.6439845927,0.0089927066,0.0089927066,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Cr-Li-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Cr-Li-O-P-V +mp-760277,LiVCr(P2O7)2,-7.955668571,-2.6436338857,0.0093434136,0.0093434136,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V +mp-759930,LiVCr(P2O7)2,-7.9547282645,-2.6426935792,0.01028372,0.01028372,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V +mp-760286,LiVCr(P2O7)2,-7.9558430788,-2.6438083935,0.0091689057,0.0091689057,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Cr-Li-O-P-V +mp-1101260,V4CrNiO12,-8.3702317078,-2.1963943208,0.0654659119,0.0654659119,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Cr-Ni-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Cr-Ni-O-V, expected V8CrNiO24 to be V4CrNiO12" +mp-766813,V3CrNi2(PO4)6,-8.0489375006,-2.5026768575,0.0068091921,0.0068091921,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Cr-Ni-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Cr-Ni-O-P-V, expected V3CrNi2(PO10)6 to be V3CrNi2(PO4)6" +mp-756568,Li4V2Cr3Ni3O16,-7.2436277032,-1.8418392948,0.2472404331,0.2472404331,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Ni-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Ni-O-V, expected Li4V2Cr3Ni3O20 to be Li4V2Cr3Ni3O16" +mp-774829,V3Cr2Ni(PO4)6,-8.1544154703,-2.5005739719,0.0789908331,0.0789908331,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cr-Ni-O-P-V, expected V3Cr2Ni(PO10)6 to be V3Cr2Ni(PO4)6" +mp-1177231,Li4VCr2Ni3(PO4)6,-7.5093467395,-2.3951855738,0.1027692587,0.1027692587,GGA+U,P1,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-V,40.0,A2B4C3D24E6F_aP40_1_2a_4a_3a_24a_6a_a:Cr-Li-Ni-O-P-V +mp-1177840,Li2V2Cr(PO4)3,-7.9352705178,-2.5733266478,0.0655271365,0.0655271365,GGA+U,C2,AB2C12D3E2_mC80_5_c_abc_12c_ab2c_2c:Cr-Li-O-P-V,40.0,"Invalid WP multiplicities - AB2C12D3E2_mC80_5_c_abc_22c_ab2c_4c:Cr-Li-O-P-V, expected Li2V4CrP3O22 to be Li2V2Cr(PO4)3" +mp-757469,Li6V3Cr(PO4)6,-7.658258809999999,-2.6692926352,0.0443895191,0.0443895191,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-V,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cr-Li-O-P-V +mp-752491,Li3VCr(P2O7)2,-7.6868017452,-2.6706898268,0.018377753,0.018377753,GGA+U,P1,AB3C14D4E_aP23_1_a_3a_14a_4a_a:Cr-Li-O-P-V,23.0,AB3C14D4E_aP23_1_a_3a_14a_4a_a:Cr-Li-O-P-V +mp-1176888,Li6VCr3(PO4)6,-7.6573879358,-2.6399646910000003,0.0436904416,0.0436904416,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-V,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Cr-Li-O-P-V +mp-780465,VCr2Ni3(PO4)6,-7.7548277356,-2.2845289811,0.0884662109,0.0884662109,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Cr-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Cr-Ni-O-P-V, expected VCr2Ni3(PO10)6 to be VCr2Ni3(PO4)6" +mp-759753,Li2VCr(P2O7)2,-7.8613175232,-2.7039697387,0.0,-0.006416394,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V +mp-760004,Li2VCr(P2O7)2,-7.8611231774,-2.703775393,0.0001943458,-0.0062220482,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V +mp-760105,Li2VCr(P2O7)2,-7.861179295,-2.7038315106,0.0001382282,-0.0062781658,GGA+U,P1,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Cr-Li-O-P-V,44.0,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Cr-Li-O-P-V +mp-761121,Li2VCr(P2O7)2,-7.8610540453,-2.7037062609,0.0002634779,-0.0061529161,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Cr-Li-O-P-V +mp-759506,Li2VCr(P2O7)2,-7.8608254955,-2.703477711,0.0004920277,-0.0059243662,GGA+U,P1,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Cr-Li-O-P-V,44.0,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Cr-Li-O-P-V +mp-759630,Li2VCr(P2O7)2,-7.861203325,-2.7038555406,0.0001141982,-0.0063021958,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Cr-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_3a_27a_7a_a:Cr-Li-O-P-V, expected Li3VCrP7O27 to be Li2VCr(P2O7)2" +mp-759663,Li2VCr(P2O7)2,-7.8611440152,-2.7037962308,0.000173508,-0.006242886,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Cr-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_3a_27a_7a_a:Cr-Li-O-P-V, expected Li3VCrP7O27 to be Li2VCr(P2O7)2" +mp-761112,Li2VCr(P2O7)2,-7.8610270352,-2.7036792508,0.000290488,-0.006125906,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Cr-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_2a_26a_6a_a:Cr-Li-O-P-V, expected Li2VCr(P3O13)2 to be Li2VCr(P2O7)2" +mp-764248,Li2VCr(P2O7)2,-7.8611503732,-2.7038025887,0.00016715,-0.006249244,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Cr-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_2a_26a_6a_a:Cr-Li-O-P-V, expected Li2VCr(P3O13)2 to be Li2VCr(P2O7)2" +mp-1195156,Rb2Nb3H11C5(Cl3O4)2,-6.0150961709,-1.2610096888,0.2585930951,0.2585930951,GGA,P-1,A5B6C11D3E8F2_aP70_2_5i_6i_11i_3i_8i_2i:C-Cl-H-Nb-O-Rb,70.0,A5B6C11D3E8F2_aP70_2_5i_6i_11i_3i_8i_2i:C-Cl-H-Nb-O-Rb +mp-1220940,Rb6Nb6H14O27,-6.7086569117,-2.0379060719,0.0775197068,0.0775197068,GGA,P1,A14B6C27D6_aP106_1_28a_12a_54a_12a:H-Nb-O-Rb,106.0,A14B6C27D6_aP106_1_28a_12a_54a_12a:H-Nb-O-Rb +mp-1336676,Rb6Nb6H14O27,-5.8398119967,-1.1690611569,0.9463646218,0.9463646218,GGA,P1,A14B6C27D6_aP106_1_28a_12a_54a_12a:H-Nb-O-Rb,106.0,A14B6C27D6_aP106_1_28a_12a_54a_12a:H-Nb-O-Rb +mp-1196502,Rb8Nb6H28O33,-6.2979604615,-1.9421050008,0.0,-0.0092380111,GGA,P2_1/c,A28B6C33D8_mP150_14_14e_3e_a16e_4e:H-Nb-O-Rb,150.0,A28B6C33D8_mP150_14_14e_3e_a16e_4e:H-Nb-O-Rb +mp-1202280,Nb3H20C5Cl7O5,-5.4324088436,-0.8830347522,0.1551424262,0.1551424262,GGA,P-1,A5B7C20D3E5_aP80_2_5i_7i_20i_3i_5i:C-Cl-H-Nb-O,80.0,A5B7C20D3E5_aP80_2_5i_7i_20i_3i_5i:C-Cl-H-Nb-O +mp-555418,Rb3NbH4(C2O5)3,-7.2056653098,-1.8199365146,0.0335395898,0.0335395898,GGA,P-1,A6B4CD15E3_aP58_2_6i_4i_i_15i_3i:C-H-Nb-O-Rb,58.0,"Invalid WP multiplicities - A6B4CD15E3_aP58_2_11i_7i_i_29i_6i:C-H-Nb-O-Rb, expected Rb6NbH7C11O29 to be Rb3NbH4(C2O5)3" +mp-535042,Na4Al3Ge3B(HO3)4,-6.2541880035,-2.1798741993,0.049812989,0.049812989,GGA,P-43n,A3BC3D4E4F12_cP54_218_c_a_d_e_e_i:Al-B-Ge-H-Na-O,54.0,A3BC3D4E4F12_cP54_218_c_a_d_e_e_i:Al-B-Ge-H-Na-O +mp-643346,Al2Ge(HO3)2,-6.9034411232,-2.4870989530000003,0.004480742,0.004480742,GGA,C2/c,A2BC2D6_mC44_15_f_e_f_3f:Al-Ge-H-O,22.0,A2BC2D6_mC44_15_f_e_f_3f:Al-Ge-H-O +mp-2712812,Na3AlZnP2SO12,-6.651820088,-2.4870093512,0.0955640971,0.0955640971,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Al-Na-O-P-S-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Al-Na-O-P-S-Zn, expected Na8AlZnP7SO60 to be Na3AlZnP2SO12" +mp-2715013,Na4AlZn(PO4)3,-6.7378613398,-2.6475950222,0.0461725381,0.0461725381,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Al-Na-O-P-Zn,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Al-Na-O-P-Zn, expected Na4AlZn(PO12)3 to be Na4AlZn(PO4)3" +mp-2714268,Na7Al3Zn(PO4)6,-6.9828378712,-2.7644356209,0.026470139,0.026470139,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Al-Na-O-P-Zn,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:Al-Na-O-P-Zn +mp-2714900,Na5Al2Zn2P3(SO8)3,-6.608686542,-2.4037365025,0.0914151872,0.0914151872,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Al-Na-O-P-S-Zn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Al-Na-O-P-S-Zn +mp-2712681,Na3Al2Zn2PS5O24,-6.5367073298000005,-2.244969609,0.0401763402,0.0401763402,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Al-Na-O-P-S-Zn,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Al-Na-O-P-S-Zn +mp-2715845,Na7Al2Zn2P5SO24,-6.7147714480000005,-2.5881419992,0.0513845309,0.0513845309,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Al-Na-O-P-S-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Al-Na-O-P-S-Zn +mp-2713471,Na2AlZnP(SO6)2,-6.5658494702,-2.3186475332,0.0836983753,0.0836983753,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Al-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Al-Na-O-P-S-Zn, expected Na2AlZnPS3O20 to be Na2AlZnP(SO6)2" +mp-11165,Na2MgPO4F,-6.4087505631,-2.9246542346,0.0,-0.0348676265,GGA,Pbcn,ABC2D4E_oP72_60_2c_d_2d_4d_d:F-Mg-Na-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_60_2c_d_2d_10d_d:F-Mg-Na-O-P, expected Na2MgPO10F to be Na2MgPO4F" +mp-1203004,Li9Mg3P4O16F3,-6.6153251426,-2.9434447923,0.0098045379,0.0098045379,GGA,P6_3,A3B9C3D16E4_hP70_173_c_3c_c_b5c_bc:F-Li-Mg-O-P,70.0,A3B9C3D16E4_hP70_173_c_3c_c_b5c_bc:F-Li-Mg-O-P +mp-1196828,NaLiMgPO4F,-6.5201276697,-2.9708760554,0.0,-0.002425662,GGA,P2_1/c,ABCDE4F_mP36_14_e_e_e_e_4e_e:F-Li-Mg-Na-O-P,36.0,ABCDE4F_mP36_14_e_e_e_e_4e_e:F-Li-Mg-Na-O-P +mp-2712718,Na2CaHf3P4(SO12)2,-8.0569201296,-2.9688963411,0.039384954,0.039384954,GGA,P1,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Hf-Na-O-P-S,108.0,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Hf-Na-O-P-S +mp-2716075,Na7Ca3HfP5SO24,-7.138040759,-2.8659637543,0.0276023498,0.0276023498,GGA,P1,A3BC7D24E5F_aP123_1_9a_3a_21a_72a_15a_3a:Ca-Hf-Na-O-P-S,123.0,A3BC7D24E5F_aP123_1_9a_3a_21a_72a_15a_3a:Ca-Hf-Na-O-P-S +mp-2712537,Na6Ca3HfP4(SO12)2,-7.1099276196,-2.7960331381,0.0479768501,0.0479768501,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Hf-Na-O-P-S,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Hf-Na-O-P-S +mp-2713699,Na2CaHfP2SO12,-7.5292155307,-2.8486282195,0.0833715652,0.0833715652,GGA,Cc,ABC2D12E2F_mC76_9_a_a_2a_12a_2a_a:Ca-Hf-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC76_9_a_a_2a_60a_7a_a:Ca-Hf-Na-O-P-S, expected Na2CaHfP7SO60 to be Na2CaHfP2SO12" +mp-2715751,NaCaHfP(SO6)2,-7.4925829453,-2.6963728909,0.06789493,0.06789493,GGA,Cc,ABCD12EF2_mC216_9_3a_3a_3a_36a_3a_6a:Ca-Hf-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12EF2_mC216_9_3a_3a_3a_60a_3a_9a:Ca-Hf-Na-O-P-S, expected NaCaHfPS3O20 to be NaCaHfP(SO6)2" +mp-2715950,Na3CaHf3P5SO24,-8.0666303091,-3.0458672194,0.041951747,0.041951747,GGA,P1,AB3C3D24E5F_aP111_1_3a_9a_9a_72a_15a_3a:Ca-Hf-Na-O-P-S,111.0,AB3C3D24E5F_aP111_1_3a_9a_9a_72a_15a_3a:Ca-Hf-Na-O-P-S +mp-2713739,Na3Ca2Hf2P3(SO8)3,-7.5572405457,-2.8204043324,0.0466162539,0.0466162539,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ca-Hf-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ca-Hf-Na-O-P-S +mp-2713676,Na3Ca3HfPS5O24,-7.0416372093,-2.5887278725,0.0408741984,0.0408741984,GGA,P1,A3BC3D24EF5_aP111_1_9a_3a_9a_72a_3a_15a:Ca-Hf-Na-O-P-S,111.0,A3BC3D24EF5_aP111_1_9a_3a_9a_72a_3a_15a:Ca-Hf-Na-O-P-S +mp-2714837,Na5Ca3HfP3(SO8)3,-7.0890606054,-2.7312041611,0.0529671693,0.0529671693,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ca-Hf-Na-O-P-S,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ca-Hf-Na-O-P-S +mp-2715021,Na5Ca2Hf2P5SO24,-7.567248818499999,-2.9400258504,0.0477623213,0.0477623213,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ca-Hf-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ca-Hf-Na-O-P-S +mp-2714057,NaCa2Hf2PS5O24,-7.482903849599999,-2.6239271632,0.0233471814,0.0233471814,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ca-Hf-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ca-Hf-Na-O-P-S +mp-2716425,NaCaHf3P3(SO8)3,-8.043391432,-2.8842634762,0.0223652804,0.0223652804,GGA,P1,AB3CD24E3F3_aP105_1_3a_9a_3a_72a_9a_9a:Ca-Hf-Na-O-P-S,105.0,AB3CD24E3F3_aP105_1_3a_9a_3a_72a_9a_9a:Ca-Hf-Na-O-P-S +mp-2713038,CaHf3P2(SO6)4,-8.01469813,-2.7802834088,0.0100979732,0.0100979732,GGA,P1,AB3C24D2E4_aP102_1_3a_9a_72a_6a_12a:Ca-Hf-O-P-S,102.0,AB3C24D2E4_aP102_1_3a_9a_72a_6a_12a:Ca-Hf-O-P-S +mp-2713347,Na4Ca3HfP2(SO6)4,-7.061469038,-2.6573368434,0.0598844918,0.0598844918,GGA,P1,A3BC4D24E2F4_aP114_1_9a_3a_12a_72a_6a_12a:Ca-Hf-Na-O-P-S,114.0,A3BC4D24E2F4_aP114_1_9a_3a_12a_72a_6a_12a:Ca-Hf-Na-O-P-S +mp-2716006,Na3La2Ti2P5SO24,-7.8111552895,-2.9583427058,0.0669703257,0.0669703257,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:La-Na-O-P-S-Ti +mp-2716413,NaLa2Ti2P3(SO8)3,-7.7639571822,-2.7823769043,0.0626884056,0.0626884056,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Ti,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:La-Na-O-P-S-Ti +mp-2712747,NaLaTiP2SO12,-7.7346365626,-2.819228572,0.1241128675,0.1241128675,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:La-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:La-Na-O-P-S-Ti, expected NaLaTiP7SO60 to be NaLaTiP2SO12" +mp-2712932,LaTiP(SO6)2,-7.733044536299999,-2.6813994835,0.0522284114,0.0522284114,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:La-O-P-S-Ti,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:La-O-P-S-Ti, expected LaTiPS3O20 to be LaTiP(SO6)2" +mp-540984,Te6Mo(OF5)6,-4.9485638328,-2.2339129778,0.0140640972,0.0140640972,GGA+U,P-1,A30BC6D6_aP43_2_15i_a_3i_3i:F-Mo-O-Te,43.0,A30BC6D6_aP43_2_15i_a_3i_3i:F-Mo-O-Te +mp-1210779,MoC4(O2F3)2,-6.946608261,-1.678878879,0.3126869849,0.3126869849,GGA+U,P-1,A4B6CD4_aP30_2_4i_6i_i_4i:C-F-Mo-O,30.0,A4B6CD4_aP30_2_4i_6i_i_4i:C-F-Mo-O +mp-558675,Sb2Te3MoC4(OF3)4,-5.9753145287,-1.8148247327,0.2024103577,0.2024103577,GGA+U,Pnma,A4B12CD4E2F3_oP104_62_2cd_4c4d_c_2cd_2c_cd:C-F-Mo-O-Sb-Te,104.0,"Invalid WP multiplicities - A4B12CD4E2F3_oP104_62_6c4d_15c28d_c_6c4d_4c_3c3d:C-F-Mo-O-Sb-Te, expected Sb4Te9MoC14O14F71 to be Sb2Te3MoC4(OF3)4" +mp-555680,SbMoOF9,-5.64549003,-2.5517691326,0.0,-0.010353352,GGA+U,P2_1/c,A9BCD_mP48_14_9e_e_e_e:F-Mo-O-Sb,48.0,"Invalid WP multiplicities - A9BCD_mP48_14_34e_e_e_e:F-Mo-O-Sb, expected SbMoOF34 to be SbMoOF9" +mp-1217532,Te4Mo(OF4)5,-5.1051068052,-2.2257102522,0.0079356717,0.0079356717,GGA+U,P-1,A20BC5D4_aP60_2_20i_i_5i_4i:F-Mo-O-Te,60.0,A20BC5D4_aP60_2_20i_i_5i_4i:F-Mo-O-Te +mp-560414,Te4Mo(OF4)5,-5.1078736278,-2.2284770748,0.005168849,0.005168849,GGA+U,P2_1/c,A20BC5D4_mP120_14_20e_e_5e_4e:F-Mo-O-Te,120.0,"Invalid WP multiplicities - A20BC5D4_mP120_14_74e_e_17e_11e:F-Mo-O-Te, expected Te11MoO17F74 to be Te4Mo(OF4)5" +mp-1203737,MgZnBr4O7,-3.635248249,-0.2737899445,0.6827545637,0.6827545637,GGA,P2_1/c,A4BC7D_mP52_14_4e_ac_7e_e:Br-Mg-O-Zn,52.0,A4BC7D_mP52_14_4e_ac_7e_e:Br-Mg-O-Zn +mp-1237285,MgZnBr4O7,-3.6522091492,-0.2907508447,0.6657936635,0.6657936635,GGA,P2_1/c,A4BC7D_mP52_14_4e_ac_7e_e:Br-Mg-O-Zn,52.0,A4BC7D_mP52_14_4e_ac_7e_e:Br-Mg-O-Zn +mp-697121,MgZn2H12(BrO)6,-4.4811934048,-1.3763496249,0.0,-0.0019571258,GGA,Immm,A6B12CD6E2_oI54_71_gm_mo_b_el_f:Br-H-Mg-O-Zn,27.0,A6B12CD6E2_oI54_71_gm_mo_b_el_f:Br-H-Mg-O-Zn +mp-1193013,KZnBr3O2,-3.4307582475,-1.0132432519,0.2634817136,0.2634817136,GGA,P2_1/c,A3BC2D_mP28_14_3e_e_2e_e:Br-K-O-Zn,28.0,A3BC2D_mP28_14_3e_e_2e_e:Br-K-O-Zn +mp-726678,KZnBr3O2,-3.3332778882,-0.9157628926,0.3609620729,0.3609620729,GGA,P2_1/c,A3BC2D_mP28_14_3e_e_2e_e:Br-K-O-Zn,28.0,A3BC2D_mP28_14_3e_e_2e_e:Br-K-O-Zn +mp-1193881,KZnBr3O2,-3.3507360957,-0.9332211001,0.3435038654,0.3435038654,GGA,P2_12_12_1,A3BC2D_oP28_19_3a_a_2a_a:Br-K-O-Zn,28.0,A3BC2D_oP28_19_3a_a_2a_a:Br-K-O-Zn +mp-24589,K2HBrO,-4.184428514,-1.7617803179,0.0,-0.000987775,GGA,P2_1/m,ABC2D_mP10_11_e_e_2e_e:Br-H-K-O,10.0,ABC2D_mP10_11_e_e_2e_e:Br-H-K-O +mp-1234053,K4MgZn4H16(Br3O2)4,-4.0979813849,-1.3518854594,0.1136802907,0.1136802907,GGA,P1,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn,45.0,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn +mp-1234112,K4MgZn4H16(Br3O2)4,-4.1345076653,-1.3884117398,0.0771540102,0.0771540102,GGA,P1,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn,45.0,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn +mp-1234266,K4MgZn4H16(Br3O2)4,-4.0954467824,-1.3493508569,0.1162148931,0.1162148931,GGA,P1,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn,45.0,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn +mp-1234710,K4MgZn4H16(Br3O2)4,-4.1341002753,-1.3880043498,0.0775614002,0.0775614002,GGA,P1,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn,45.0,A12B16C4DE8F4_aP45_1_12a_16a_4a_a_8a_4a:Br-H-K-Mg-O-Zn +mp-1211588,KZn(H2Br)3,-2.7672695602,-0.2776710314,0.4683141686,0.4683141686,GGA,P2_1/c,A3B6CD_mP44_14_3e_6e_e_e:Br-H-K-Zn,44.0,A3B6CD_mP44_14_3e_6e_e_e:Br-H-K-Zn +mp-720912,KZnH4Br3O2,-4.2011066998,-1.4289695044,0.0163178886,0.0163178886,GGA,P2_1/c,A3B4CD2E_mP44_14_3e_4e_e_2e_e:Br-H-K-O-Zn,44.0,A3B4CD2E_mP44_14_3e_4e_e_2e_e:Br-H-K-O-Zn +mp-23535,K2ZnBr4,-3.161930685,-1.7772657101,0.0,-0.0267855281,GGA,P2_1,A4B2C_mP14_4_4a_2a_a:Br-K-Zn,14.0,A4B2C_mP14_4_4a_2a_a:Br-K-Zn +mp-23495,K2ZnBr4,-3.1609687964,-1.7763038216,0.0009618886,-0.0258236396,GGA,P2_1/m,A4B2C_mP14_11_2ef_2e_e:Br-K-Zn,14.0,A4B2C_mP14_11_2ef_2e_e:Br-K-Zn +mp-2224722,MgMn2P2(O4F)2,-7.6017174867,-2.6585586018000003,0.0619206167,0.0619206167,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:F-Mg-Mn-O-P,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:F-Mg-Mn-O-P +mp-2232222,MgMn2P2(O4F)2,-7.5998617233,-2.6567028385,0.06377638,0.06377638,GGA+U,P1,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:F-Mg-Mn-O-P,15.0,A2BC2D8E2_aP15_1_2a_a_2a_8a_2a:F-Mg-Mn-O-P +mp-2232581,MgMn2P2(O4F)2,-7.6197704847,-2.6766115998,0.0438676187,0.0438676187,GGA+U,P-1,A2BC2D8E2_aP15_2_i_a_cf_4i_i:F-Mg-Mn-O-P,15.0,"Invalid WP multiplicities - A2BC2D8E2_aP15_2_i_a_cf_8i_i:F-Mg-Mn-O-P, expected MgMn2P2(O8F)2 to be MgMn2P2(O4F)2" +mp-2232789,Na2MgMnP2O7F3,-6.7703663556,-2.7331658042,0.1032987965,0.1032987965,GGA+U,P1,A3BCD2E7F2_aP16_1_3a_a_a_2a_7a_2a:F-Mg-Mn-Na-O-P,16.0,A3BCD2E7F2_aP16_1_3a_a_a_2a_7a_2a:F-Mg-Mn-Na-O-P +mp-1104356,Na2MnP2O7F3,-6.667385582,-2.4677236638,0.0567898765,0.0567898765,GGA+U,P1,A3BC2D7E2_aP15_1_3a_a_2a_7a_2a:F-Mn-Na-O-P,15.0,A3BC2D7E2_aP15_1_3a_a_2a_7a_2a:F-Mn-Na-O-P +mp-556404,Na2MnPO4F,-6.9918503886,-2.6675612555,0.0,-0.01114408,GGA+U,P2_1/c,ABC2D4E_mP72_14_2e_2e_4e_8e_2e:F-Mn-Na-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_mP72_14_6e_6e_13e_28e_7e:F-Mn-Na-O-P, expected Na13Mn6P7(O14F3)2 to be Na2MnPO4F" +mp-1210636,Na2MnPO5F2,-6.1743544386,-2.0128299044,0.4132901089,0.4132901089,GGA+U,P2_1/m,A2BC2D5E_mP22_11_f_a_de_3ef_e:F-Mn-Na-O-P,22.0,A2BC2D5E_mP22_11_f_a_ce_3ef_e:F-Mn-Na-O-P +mp-1201699,Na4Mn2P2O7F6,-6.5812374224,-2.7461692531,0.0,-0.0183451579,GGA+U,P2/c,A6B2C4D7E2_mP42_13_3g_ab_ce2f_e3g_g:F-Mn-Na-O-P,42.0,A6B2C4D7E2_mP42_13_3g_ab_c2ef_f3g_g:F-Mn-Na-O-P +mp-1192391,RbLi2CdC2O6F,-6.4807276735,-2.1907113822,0.0,-0.0251334206,GGA,P6_3/m,A2BCD2E6F_hP26_176_f_b_c_f_i_a:C-Cd-F-Li-O-Rb,26.0,A2BCD2E6F_hP26_176_f_b_c_f_i_a:C-Cd-F-Li-O-Rb +mp-2714274,NaCa2Ge2PS5O24,-6.7160999572,-2.1619324808,0.0838756333,0.0838756333,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ca-Ge-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ca-Ge-Na-O-P-S +mp-2715872,Na3CaGe3P5SO24,-7.030050765,-2.44178723,0.0844954988,0.0844954988,GGA,P1,AB3C3D24E5F_aP111_1_3a_9a_9a_72a_15a_3a:Ca-Ge-Na-O-P-S,111.0,AB3C3D24E5F_aP111_1_3a_9a_9a_72a_15a_3a:Ca-Ge-Na-O-P-S +mp-2715880,Na7Ca3GeP5SO24,-6.8146102882,-2.6726347755,0.0703807631,0.0703807631,GGA,P1,A3BC7D24E5F_aP123_1_9a_3a_21a_72a_15a_3a:Ca-Ge-Na-O-P-S,123.0,A3BC7D24E5F_aP123_1_9a_3a_21a_72a_15a_3a:Ca-Ge-Na-O-P-S +mp-2714898,Na5Ca3GeP3(SO8)3,-6.7577762139,-2.5366931331,0.075521258,0.075521258,GGA,P1,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ca-Ge-Na-O-P-S,117.0,A3BC5D24E3F3_aP117_1_9a_3a_15a_72a_9a_9a:Ca-Ge-Na-O-P-S +mp-2712883,CaGe3P2(SO6)4,-6.8603709033,-2.0966174623,0.0468217092,0.0468217092,GGA,P1,AB3C24D2E4_aP102_1_3a_9a_72a_6a_12a:Ca-Ge-O-P-S,102.0,AB3C24D2E4_aP102_1_3a_9a_72a_6a_12a:Ca-Ge-O-P-S +mp-2712706,Na6Ca3GeP4(SO12)2,-6.7895080456,-2.6089675934,0.0722406774,0.0722406774,GGA,P1,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Ge-Na-O-P-S,120.0,A3BC6D24E4F2_aP120_1_9a_3a_18a_72a_12a_6a:Ca-Ge-Na-O-P-S +mp-2716507,NaCaGe3P3(SO8)3,-6.9338434592,-2.2319293184,0.0744710927,0.0744710927,GGA,P1,AB3CD24E3F3_aP105_1_3a_9a_3a_72a_9a_9a:Ca-Ge-Na-O-P-S,105.0,AB3CD24E3F3_aP105_1_3a_9a_3a_72a_9a_9a:Ca-Ge-Na-O-P-S +mp-2713241,Na2CaGeP2SO12,-6.8302833674,-2.4304413812,0.1399378585,0.1399378585,GGA,Cc,ABC2D12E2F_mC76_9_a_a_2a_12a_2a_a:Ca-Ge-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC76_9_a_a_2a_60a_7a_a:Ca-Ge-Na-O-P-S, expected Na2CaGeP7SO60 to be Na2CaGeP2SO12" +mp-2715530,NaCaGeP(SO6)2,-6.7485660269,-2.24869826,0.1349257619,0.1349257619,GGA,Cc,ABCD12EF2_mC216_9_3a_3a_3a_36a_3a_6a:Ca-Ge-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12EF2_mC216_9_3a_3a_3a_60a_3a_9a:Ca-Ge-Na-O-P-S, expected NaCaGePS3O20 to be NaCaGeP(SO6)2" +mp-2715118,Na5Ca2Ge2P5SO24,-6.8920931453000005,-2.5384169041,0.1032330658,0.1032330658,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ca-Ge-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ca-Ge-Na-O-P-S +mp-2713224,Na3Ca3GePS5O24,-6.6847108105,-2.3759679919,0.069019254,0.069019254,GGA,P1,A3BC3D24EF5_aP111_1_9a_3a_9a_72a_3a_15a:Ca-Ge-Na-O-P-S,111.0,A3BC3D24EF5_aP111_1_9a_3a_9a_72a_3a_15a:Ca-Ge-Na-O-P-S +mp-2713529,Na4Ca3GeP2(SO6)4,-6.7161375016,-2.4523779695,0.0841168719,0.0841168719,GGA,P1,A3BC4D24E2F4_aP114_1_9a_3a_12a_72a_6a_12a:Ca-Ge-Na-O-P-S,114.0,A3BC4D24E2F4_aP114_1_9a_3a_12a_72a_6a_12a:Ca-Ge-Na-O-P-S +mp-2712762,Na2CaGe3P4(SO12)2,-6.9936178217,-2.3501074644,0.0815727524,0.0815727524,GGA,P1,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Ge-Na-O-P-S,108.0,AB3C2D24E4F2_aP108_1_3a_9a_6a_72a_12a_6a:Ca-Ge-Na-O-P-S +mp-2713945,Na3Ca2Ge2P3(SO8)3,-6.8540423294,-2.4055391526,0.0856422328,0.0856422328,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ca-Ge-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ca-Ge-Na-O-P-S +mp-1203146,TiSi3H30C10(N2Cl)2,-5.4988931058,-0.3932343978,0.1053923172,0.1053923172,GGA,P-1,A10B2C30D4E3F_aP100_2_10i_2i_30i_4i_3i_i:C-Cl-H-N-Si-Ti,100.0,A10B2C30D4E3F_aP100_2_10i_2i_30i_4i_3i_i:C-Cl-H-N-Si-Ti +mp-1179271,TiSi2C4(NCl2)2,-6.0478140575,0.0851033684,1.2583088035,1.2583088035,GGA,P2_1/c,A4B4C2D2E_mP52_14_4e_4e_2e_2e_e:C-Cl-N-Si-Ti,52.0,A4B4C2D2E_mP52_14_4e_4e_2e_2e_e:C-Cl-N-Si-Ti +mp-1179366,TiSiC7NCl3,-6.41104983,0.6507635084000001,1.4815211234,1.4815211234,GGA,P2_1/c,A7B3CDE_mP52_14_7e_3e_e_e_e:C-Cl-N-Si-Ti,52.0,A7B3CDE_mP52_14_7e_3e_e_e_e:C-Cl-N-Si-Ti +mp-679971,TiSi4(NCl7)2,-5.129934981,-1.6942555892,0.0547828723,0.0547828723,GGA,P2_12_12_1,A14B2C4D_oP84_19_14a_2a_4a_a:Cl-N-Si-Ti,84.0,"Invalid WP multiplicities - A14B2C4D_oP84_19_52a_4a_14a_a:Cl-N-Si-Ti, expected TiSi14(NCl13)4 to be TiSi4(NCl7)2" +mp-1247366,Ti3Si6N11,-8.4951628025,-1.0981713822,0.3806448195,0.3806448195,GGA,P4bm,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Ti,40.0,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Ti +mp-727058,TiSi2C3N2Cl5,-6.1051174563,-0.5399022483,0.7900935302000001,0.7900935302000001,GGA,P2_1/c,A3B5C2D2E_mP52_14_3e_5e_2e_2e_e:C-Cl-N-Si-Ti,52.0,A3B5C2D2E_mP52_14_3e_5e_2e_2e_e:C-Cl-N-Si-Ti +mp-1173434,Rb2Cu4H5(SO5)4,-5.5655432731,-1.2569404519,0.3282790623,0.3282790623,GGA,P-1,A4B5C20D2E4_aP35_2_2i_c2i_10i_be_2i:Cu-H-O-Rb-S,35.0,"Invalid WP multiplicities - A4B5C20D2E4_aP35_2_4i_c4i_19i_be_3i:Cu-H-O-Rb-S, expected Rb2Cu8H9(S3O19)2 to be Rb2Cu4H5(SO5)4" +mp-1173455,Rb2Cu4H5(SO5)4,-5.8761583729,-1.5675555516,0.0176639626,0.0176639626,GGA,P2/m,A4B5C20D2E4_mP35_10_o_bmn_3m3n2o_ce_mn:Cu-H-O-Rb-S,35.0,"Invalid WP multiplicities - A4B5C20D2E4_aP35_2_4i_a4i_19i_cf_3i:Cu-H-O-Rb-S, expected Rb2Cu8H9(S3O19)2 to be Rb2Cu4H5(SO5)4" +mp-1203952,Rb2MgH12(SO7)2,-5.6608824529,-1.7318307617,0.0,-0.0012072803,GGA,P2_1/c,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-Rb-S,62.0,A12BC14D2E2_mP62_14_6e_a_7e_e_e:H-Mg-O-Rb-S +mp-697969,Rb2Cu3H2S3O14,-5.7016443424,-1.4221805173,0.2542851074,0.2542851074,GGA,Pnma,A3B2C14D2E3_oP96_62_cd_2c_4c5d_d_cd:Cu-H-O-Rb-S,96.0,A3B2C14D2E3_oP96_62_cd_2c_4c5d_d_cd:Cu-H-O-Rb-S +mp-1219621,RbCu2H3(SO5)2,-5.864657805,-1.5814960053,0.0096466003,0.0096466003,GGA,Cm,A2B3C10DE2_mC36_8_b_3a_6a2b_a_2a:Cu-H-O-Rb-S,18.0,A2B3C10DE2_mC36_8_b_3a_6a2b_a_2a:Cu-H-O-Rb-S +mp-1210243,Rb2Cu(SO7)2,-5.3269137505,-0.9276076186,0.4074601526,0.4074601526,GGA,P2_1/c,AB14C2D2_mP38_14_a_7e_e_e:Cu-O-Rb-S,38.0,AB14C2D2_mP38_14_a_7e_e_e:Cu-O-Rb-S +mp-1233215,RbMgCu2H3(SO5)2,-5.8378650711,-1.695907574,0.1023201868,0.1023201868,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S +mp-1233327,RbMgCu2H3(SO5)2,-5.8478826442,-1.7059251472,0.0923026137,0.0923026137,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S +mp-1233370,RbMgCu2H3(SO5)2,-5.8043827916,-1.6624252945,0.1358024663,0.1358024663,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Mg-O-Rb-S +mp-24197,Rb2CuH12(SO7)2,-5.5699631918,-1.5603009645,0.004810089,0.004810089,GGA,P2_1/c,AB12C14D2E2_mP62_14_a_6e_7e_e_e:Cu-H-O-Rb-S,62.0,"Invalid WP multiplicities - AB12C14D2E2_mP62_14_a_10e_12e_e_e:Cu-H-O-Rb-S, expected Rb2CuH20(SO12)2 to be Rb2CuH12(SO7)2" +mp-1233622,Rb2MgCu4H5(SO5)4,-5.9021644514,-1.6687928183,0.0459305885,0.0459305885,GGA,P1,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S,36.0,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S +mp-1233896,Rb2MgCu4H5(SO5)4,-5.9004729717,-1.6671013385,0.0476220683,0.0476220683,GGA,P1,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S,36.0,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S +mp-1233920,Rb2MgCu4H5(SO5)4,-5.9087072128,-1.6753355797,0.0393878272,0.0393878272,GGA,P1,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S,36.0,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S +mp-1234188,Rb2MgCu4H5(SO5)4,-5.8699498739,-1.6365782408,0.078145166,0.078145166,GGA,P1,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S,36.0,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S +mp-1234789,Rb2MgCu4H5(SO5)4,-5.8966826133,-1.6633109802,0.0514124266,0.0514124266,GGA,P1,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S,36.0,A4B5CD20E2F4_aP36_1_4a_5a_a_20a_2a_4a:Cu-H-Mg-O-Rb-S +mp-561131,NaGd(PO3)4,-8.2541154563,-2.897886451,0.0,-0.0012204084,GGA,P2_1/c,ABC12D4_mP72_14_e_e_12e_4e:Gd-Na-O-P,72.0,"Invalid WP multiplicities - ABC12D4_mP72_14_e_e_40e_10e:Gd-Na-O-P, expected NaGd(PO4)10 to be NaGd(PO3)4" +mp-1180408,Na3Gd(PO4)2,-7.8296225588,-2.9407787857,0.0005669129,-0.0151282924,GGA,P-1,AB3C8D2_aP84_2_3i_ac8i_24i_6i:Gd-Na-O-P,84.0,"Invalid WP multiplicities - AB3C8D2_mC168_15_e2f_2c15f_46f_7f:Gd-Na-O-P, expected Na32Gd5(P7O46)2 to be Na3Gd(PO4)2" +mp-1203147,Na3Gd(PO4)2,-7.8301894717,-2.9413456985,0.0,-0.0156952052,GGA,C2/c,AB3C8D2_mC168_15_ef_a4f_12f_3f:Gd-Na-O-P,84.0,AB3C8D2_mC168_15_ef_c4f_12f_3f:Gd-Na-O-P +mp-1204493,NaSr3GdP3O12F,-8.0253911126,-3.3597349738,0.0,-0.0064662806,GGA,P-3,ABCD12E3F3_hP42_147_c_d_d_4g_g_g:F-Gd-Na-O-P-Sr,42.0,ABCD12E3F3_hP42_147_c_d_d_4g_g_g:F-Gd-Na-O-P-Sr +mp-753777,Li6FeCoP2(CO7)2,-7.0583805173,-2.2287861265,0.1319345975,0.1319345975,GGA+U,Pm,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Co-Fe-Li-O-P,26.0,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Co-Fe-Li-O-P +mp-1178117,Li12Fe3CoP4(CO7)4,-7.1838240746,-2.3280430797,0.0440832418,0.0440832418,GGA+U,Pm,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Co-Fe-Li-O-P,52.0,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Co-Fe-Li-O-P +mp-2715598,Na7Y2Sc2SiP5O24,-7.598157581,-3.0599156999,0.0191709425,0.0191709425,GGA,P1,A7B24C5D2EF2_aP123_1_21a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Y,123.0,A7B24C5D2EF2_aP123_1_21a_72a_15a_6a_3a_6a:Na-O-P-Sc-Si-Y +mp-2714427,Na4YScSi(PO6)2,-7.5038814787,-3.0419181944,0.023363179,0.023363179,GGA,P1,A4B12C2DEF_aP126_1_24a_72a_12a_6a_6a_6a:Na-O-P-Sc-Si-Y,126.0,A4B12C2DEF_aP126_1_24a_72a_12a_6a_6a_6a:Na-O-P-Sc-Si-Y +mp-2715230,Na3YSc(PO4)3,-7.6926523733,-3.0743179656,0.0172815057,0.0172815057,GGA,P1,A3B12C3DE_aP80_1_12a_48a_12a_4a_4a:Na-O-P-Sc-Y,80.0,A3B12C3DE_aP80_1_12a_48a_12a_4a_4a:Na-O-P-Sc-Y +mp-2715326,Na3YSc(PO4)3,-7.6946462942,-3.0763118865,0.0152875848,0.0152875848,GGA,P1,A3B12C3DE_aP120_1_18a_72a_18a_6a_6a:Na-O-P-Sc-Y,120.0,A3B12C3DE_aP120_1_18a_72a_18a_6a_6a:Na-O-P-Sc-Y +mp-1190639,CsK2Fe3P4ClO14,-7.3176780524,-2.4664119508,0.0,-0.0151402422,GGA+U,P-1,ABC3D2E14F4_aP25_2_a_c_di_i_7i_2i:Cl-Cs-Fe-K-O-P,50.0,"Invalid WP multiplicities - ABC3D2E14F4_aP25_2_a_c_2d2i_i_7i_2i:Cl-Cs-Fe-K-O-P, expected CsK2Fe6P4ClO14 to be CsK2Fe3P4ClO14" +mp-1196996,K2FeCl5O,-4.1935681917,-1.4291025122,0.2193575156,0.2193575156,GGA+U,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-K-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-K-O +mp-505040,Cs2K4Fe2O5,-5.1659597223,-1.4808915294,0.0,-0.0099242476,GGA+U,C2/m,A2B2C4D5_mC26_12_i_i_gh_aj:Cs-Fe-K-O,13.0,A2B2C4D5_mC26_12_i_i_gh_aj:Cs-Fe-K-O +mp-1032858,YMg6SiO8,-6.4237519737,-2.6070657779,0.4678299198,0.4678299198,GGA,P4/mmm,A6B8CD_tP16_123_abi_efgh_c_d:Mg-O-Si-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_abi_2e2fgh_c_d:Mg-O-Si-Y, expected YMg6SiO12 to be YMg6SiO8" +mp-1032906,YMg6SiO8,-6.4582405656,-2.6415543698,0.4333413279,0.4333413279,GGA,P4/mmm,A6B8CD_tP16_123_aci_efgh_b_d:Mg-O-Si-Y,16.0,"Invalid WP multiplicities - A6B8CD_tP16_123_aci_2e2fgh_b_d:Mg-O-Si-Y, expected YMg6SiO12 to be YMg6SiO8" +mp-1037665,YMg30SiO32,-6.3460044433,-2.9367196089,0.1225345401,0.1225345401,GGA,P4/mmm,A30B32CD_tP64_123_acefjkst_ghilmnor_b_d:Mg-O-Si-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_acefjk6s6t_2g2h2i3l3m3n3or_b_d:Mg-O-Si-Y, expected YMg110SiO72 to be YMg30SiO32" +mp-1037670,YMg30SiO32,-6.3432938089,-2.9340089745,0.1252451745,0.1252451745,GGA,P4/mmm,A30B32CD_tP64_123_abefjkst_ghilmnor_c_d:Mg-O-Si-Y,64.0,"Invalid WP multiplicities - A30B32CD_tP64_123_ab2e2f4j4k3s3t_ghi4l4m4n4or_c_d:Mg-O-Si-Y, expected YMg90SiO80 to be YMg30SiO32" +mp-2715157,Na8Y2Mg2Si3(SO8)3,-6.8002494234,-2.6545461512,0.1068953285,0.1068953285,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Mg-Na-O-S-Si-Y,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Mg-Na-O-S-Si-Y +mp-1208651,YMg4(SiO3)4,-6.4082698301,-1.9354542126,1.2932801774,1.2932801774,GGA,I4_1/a,A4B12C4D_tI168_88_2f_6f_cdf_ab:Mg-O-Si-Y,84.0,A4B12C4D_tI168_88_2f_6f_cdf_ab:Mg-O-Si-Y +mp-2714834,NaY3Mg(SO4)6,-7.299395395,-2.5604969105,0.007768619,0.007768619,GGA,P3,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Mg-Na-O-S-Y,105.0,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Mg-Na-O-S-Y +mp-1035955,YMg14SiO16,-6.3622391897,-2.8171539015,0.2473140971,0.2473140971,GGA,Pmmm,A14B16CD_oP32_47_abjlnpy_cdghikmoz_e_f:Mg-O-Si-Y,32.0,"Invalid WP multiplicities - A14B16CD_oP32_47_abjl2n2py_cdghik2m2oz_e_f:Mg-O-Si-Y, expected YMg18SiO20 to be YMg14SiO16" +mp-1035937,YMg14SiO16,-6.3682444459,-2.8231591577,0.2413088408,0.2413088408,GGA,P4/mmm,A14B16CD_tP32_123_ekln_acfjmo_b_d:Mg-O-Si-Y,32.0,"Invalid WP multiplicities - A14B16CD_tP32_123_ek3l3n_acfj3m3o_b_d:Mg-O-Si-Y, expected YMg30SiO32 to be YMg14SiO16" +mp-2714072,Na7Y3MgSi3(SO8)3,-7.0733174515,-2.7400685929,0.1043053273,0.1043053273,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-S-Si-Y,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Mg-Na-O-S-Si-Y +mp-2715876,Na14Y4Mg4Si5S7O48,-6.8263051543,-2.627461787,0.1078448663,0.1078448663,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Mg-Na-O-S-Si-Y,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Mg-Na-O-S-Si-Y +mp-1207890,Y2Mg3(SiO4)3,-7.9395775845,-3.2710775344,0.1911329715,0.1911329715,GGA,Ia-3d,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Y,80.0,A3B12C3D2_cI160_230_c_h_d_a:Mg-O-Si-Y +mp-1207885,Y3Mg2Si3O13,-8.2829266798,-3.3694561666,0.113211553,0.113211553,GGA,P6_3/m,A2B13C3D3_hP42_176_f_a2hi_h_h:Mg-O-Si-Y,42.0,A2B13C3D3_hP42_176_f_a2hi_h_h:Mg-O-Si-Y +mp-2713425,Na4Y2Mg2SiS5O24,-6.9194191903,-2.5443744551,0.056021362,0.056021362,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Mg-Na-O-S-Si-Y,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Mg-Na-O-S-Si-Y +mp-2714693,Na10Y4Mg4Si3(S3O16)3,-6.8806875138,-2.5673885571,0.0833309885,0.0833309885,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Mg-Na-O-S-Si-Y,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Mg-Na-O-S-Si-Y +mp-2712800,Na3YMgSi(SO6)2,-6.8507477647,-2.5961072975,0.1024197901,0.1024197901,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Mg-Na-O-S-Si-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Mg-Na-O-S-Si-Y, expected Na4YMgSiS3O20 to be Na3YMgSi(SO6)2" +mp-2714077,NaYMg(SO4)3,-6.9911829306,-2.4823556755,0.006338666,0.006338666,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Mg-Na-O-S-Y,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Mg-Na-O-S-Y, expected NaYMg(SO12)3 to be NaYMg(SO4)3" +mp-1216096,Y6Mg(SiS7)2,-6.7059643939,-1.959875658,0.0031493915,0.0031493915,GGA,P3,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mg-S-Si-Y,23.0,AB14C2D6_hP23_143_c_ab4d_ab_2d:Mg-S-Si-Y +mp-2715070,Na3YMg3(SO4)6,-6.7002108753,-2.4090185668,0.004405732,0.004405732,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Mg-Na-O-S-Y,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Mg-Na-O-S-Y +mp-2713632,Na6Y4Mg4SiS11O48,-6.9551995845,-2.5150714613,0.0315020289,0.0315020289,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Mg-Na-O-S-Si-Y,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Mg-Na-O-S-Si-Y +mp-23087,Mg3B7ClO13,-7.825478861,-2.9208091755,0.0,-0.0142244439,GGA,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Mg-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_7a_a_3a_18a:B-Cl-Mg-O, expected Mg3B7ClO18 to be Mg3B7ClO13" +mp-23617,Mg3B7ClO13,-7.8154098835,-2.910740198,0.0100689775,-0.0041554664,GGA,F-43c,A7BC3D13_cF192_219_ce_a_d_bh:B-Cl-Mg-O,48.0,"Invalid WP multiplicities - A7BC3D13_cF192_219_4c3e_a_d_2b3h:B-Cl-Mg-O, expected Mg3B24ClO38 to be Mg3B7ClO13" +mp-1234759,MgCu2B2H8(ClO4)2,-5.615212347,-1.5469572034,0.1506133641,0.1506133641,GGA,P-4,A2B2C2D8EF8_tP23_81_ac_g_g_2h_b_2h:B-Cl-Cu-H-Mg-O,23.0,"Invalid WP multiplicities - A2B2C2D8EF8_tP23_81_ac_g_g_4h_b_4h:B-Cl-Cu-H-Mg-O, expected MgCu2B2H16(ClO8)2 to be MgCu2B2H8(ClO4)2" +mp-2714204,Na5Y2Hf2SiP5O24,-8.0273229433,-3.1382894462,0.0293162871,0.0293162871,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Hf-Na-O-P-Si-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Hf-Na-O-P-Si-Y +mp-2713334,Na5Y3Hf(PO4)6,-7.913456624,-3.1142368049,0.0263595113,0.0263595113,GGA,P1,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-P-Y,117.0,AB5C24D6E3_aP117_1_3a_15a_72a_18a_9a:Hf-Na-O-P-Y +mp-2714655,Na3YHf3(PO4)6,-8.374099233799999,-3.1982625258,0.014786841,0.014786841,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Hf-Na-O-P-Y,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Hf-Na-O-P-Y +mp-2715224,Na3YHfSi(PO6)2,-7.9206157048,-3.1204445247,0.0393106189,0.0393106189,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Hf-Na-O-P-Si-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_14a_72a_10a_3a_3a:Hf-Na-O-P-Si-Y, expected Na14Y3Hf3Si3(P5O36)2 to be Na3YHfSi(PO6)2" +mp-2715305,Na3YHfSi(PO6)2,-7.9170892535,-3.1169180734,0.0428370703,0.0428370703,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Hf-Na-O-P-Si-Y,80.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_3a_30a_2a_a_a:Hf-Na-O-P-Si-Y, expected Na3YHfSi(PO15)2 to be Na3YHfSi(PO6)2" +mp-2713310,Na2YHf(PO4)3,-8.1247515878,-3.1421788096,0.0336907023,0.0336907023,GGA,Cc,AB2C12D3E_mC76_9_a_2a_12a_3a_a:Hf-Na-O-P-Y,114.0,"Invalid WP multiplicities - AB2C12D3E_mC76_9_a_2a_72a_18a_a:Hf-Na-O-P-Y, expected Na2YHf(PO4)18 to be Na2YHf(PO4)3" +mp-2715180,Na7Y2Hf2Si3(PO8)3,-7.8406087315,-3.1249651212,0.0237794098,0.0237794098,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Hf-Na-O-P-Si-Y,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Hf-Na-O-P-Si-Y +mp-2716132,Na4YHfSi2PO12,-7.7271122848,-3.091971122,0.0431979079,0.0431979079,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Hf-Na-O-P-Si-Y,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_19a_72a_a_12a_a:Hf-Na-O-P-Si-Y, expected Na19YHfSi12PO72 to be Na4YHfSi2PO12" +mp-684816,K2NaNb(OF2)2,-6.0994937075,-2.9811015555,0.0888222455,0.0888222455,GGA,P2_1,A4B2CDE2_mP20_4_4a_2a_a_a_2a:F-K-Na-Nb-O,20.0,"Invalid WP multiplicities - A4B2CDE2_tP20_136_2e3f_d_a_b_g:F-K-Na-Nb-O, expected K2NaNb(OF5)2 to be K2NaNb(OF2)2" +mp-1346558,K2NaNb(OF2)2,-6.0988906565,-2.9804985045,0.0894252965,0.0894252965,GGA,Pmn2_1,A4B2CDE2_oP20_31_2ab_b_a_a_2a:F-K-Na-Nb-O,20.0,"Invalid WP multiplicities - A4B2CDE2_tP20_136_2e3f_d_a_b_g:F-K-Na-Nb-O, expected K2NaNb(OF5)2 to be K2NaNb(OF2)2" +mp-1173071,K2NaNb(OF2)2,-6.100330967,-2.981938815,0.087984986,0.087984986,GGA,P4_2/mnm,A4B2CDE2_tP20_136_ef_d_a_b_g:F-K-Na-Nb-O,20.0,"Invalid WP multiplicities - A4B2CDE2_tP20_136_2e3f_d_a_b_g:F-K-Na-Nb-O, expected K2NaNb(OF5)2 to be K2NaNb(OF2)2" +mp-1223827,K2NaNb(OF2)2,-6.097424419,-2.979032267,0.090891534,0.090891534,GGA,I4/mmm,A4B2CDE2_tI20_139_h_d_a_b_e:F-K-Na-Nb-O,10.0,A4B2CDE2_tI20_139_h_d_a_b_e:F-K-Na-Nb-O +mp-1223410,KNa3Mg4F12,-5.217881504,-3.4970393721,0.0148692329,0.0148692329,GGA,Pm,A12BC4D3_mP20_6_2a2b4c_a_2c_a2b:F-K-Mg-Na,20.0,"Invalid WP multiplicities - A12BC4D3_mP20_6_2a2b8c_a_4c_a2b:F-K-Mg-Na, expected KNa3Mg8F20 to be KNa3Mg4F12" +mp-1198462,KNaNbOF5,-6.2724923753,-3.2682353943,0.0,-0.0136601822,GGA,Pna2_1,A5BCDE_oP36_33_5a_a_a_a_a:F-K-Na-Nb-O,36.0,A5BCDE_oP36_33_5a_a_a_a_a:F-K-Na-Nb-O +mp-1105769,KNaNbOF5,-6.2674477522,-3.2631907712,0.0050446231,-0.0086155592,GGA,P4/nmm,A5BCDE_tP18_129_cj_a_c_c_c:F-K-Na-Nb-O,18.0,A5BCDE_tP18_129_cj_a_c_c_c:F-K-Na-Nb-O +mp-1223318,KNaMg2F6,-5.212327166,-3.5020913515,0.0218081333,0.0218081333,GGA,P4/mmm,A6BC2D_tP10_123_abi_c_g_d:F-K-Mg-Na,10.0,A6BC2D_tP10_123_abi_c_g_d:F-K-Mg-Na +mp-1223317,KNaMg2F6,-5.209751805,-3.4995159905,0.0243834943,0.0243834943,GGA,Fm-3m,A6BC2D_cF40_225_d_a_c_b:F-K-Mg-Na,10.0,A6BC2D_cF40_225_d_a_c_b:F-K-Mg-Na +mp-2230700,K2Na2MgNb2(OF5)2,-5.9664137089,-3.0360502506,0.221232042,0.221232042,GGA,C2/m,A10B2CD2E2F2_mC38_12_3ij_g_a_i_i_i:F-K-Mg-Na-Nb-O,19.0,"Invalid WP multiplicities - A10B2CD2E2F2_mC38_12_5i3j_g_a_i_i_i:F-K-Mg-Na-Nb-O, expected K2Na2MgNb2(OF11)2 to be K2Na2MgNb2(OF5)2" +mp-2231197,K2Na2MgNb2(OF5)2,-5.9265553768,-2.9961919185,0.2610903741,0.2610903741,GGA,P-4m2,A10B2CD2E2F2_tP19_115_gl_ab_c_g_g_g:F-K-Mg-Na-Nb-O,19.0,A10B2CD2E2F2_tP19_115_gl_ab_c_g_g_g:F-K-Mg-Na-Nb-O +mp-1111104,K2NaNbF6,-5.5118848400000005,-3.0005346368,0.083156076,0.083156076,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Nb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Nb +mp-1111009,KNa2NbF6,-5.308438023,-2.7758751851,0.3011415565,0.3011415565,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Nb,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Nb +mp-2713979,Na3MgZnP(SO6)2,-6.316098064,-2.3223947482,0.0555604058,0.0555604058,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Mg-Na-O-P-S-Zn,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Mg-Na-O-P-S-Zn +mp-2713244,Na5Mg2Zn2PS5O24,-6.2722062482,-2.2427509995,0.0390904351,0.0390904351,GGA,P1,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Mg-Na-O-P-S-Zn,117.0,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Mg-Na-O-P-S-Zn +mp-2712983,Na4MgZnP2SO12,-6.4017800068,-2.4744731378,0.051842508,0.051842508,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Mg-Na-O-P-S-Zn,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Mg-Na-O-P-S-Zn +mp-2714610,Na7Mg2Zn2P3(SO8)3,-6.3582093213,-2.3985139417,0.0629593302,0.0629593302,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Mg-Na-O-P-S-Zn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Mg-Na-O-P-S-Zn +mp-2714301,Na7ZnIn3(PO4)6,-6.6537862411,-2.5081078029,0.0322778999,0.0322778999,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:In-Na-O-P-Zn,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:In-Na-O-P-Zn +mp-2713404,Na2ZnInP(SO6)2,-6.3431990542,-2.1483072278,0.0494861412,0.0494861412,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:In-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:In-Na-O-P-S-Zn, expected Na2ZnInPS3O20 to be Na2ZnInP(SO6)2" +mp-2713599,Na3Zn2In2PS5O24,-6.2967279227,-2.0587140992,0.0293346806,0.0293346806,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:In-Na-O-P-S-Zn,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:In-Na-O-P-S-Zn +mp-2715863,Na7Zn2In2P5SO24,-6.4897304326,-2.4115835252,0.060083143,0.060083143,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:In-Na-O-P-S-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:In-Na-O-P-S-Zn +mp-2712712,Na3ZnInP2SO12,-6.4431569068,-2.3280407751,0.0602077608,0.0602077608,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:In-Na-O-P-S-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:In-Na-O-P-S-Zn, expected Na8ZnInP7SO60 to be Na3ZnInP2SO12" +mp-2714986,Na4ZnIn(PO4)3,-6.5353565629,-2.4924184405,0.0399649292,0.0399649292,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:In-Na-O-P-Zn,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:In-Na-O-P-Zn, expected Na4ZnIn(PO12)3 to be Na4ZnIn(PO4)3" +mp-2714759,Na5Zn2In2P3(SO8)3,-6.3934223617,-2.2394411479,0.0564029392,0.0564029392,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:In-Na-O-P-S-Zn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:In-Na-O-P-S-Zn +mp-1198748,CoH18Br2N6ClO3,-5.035394134,-0.5840710498,0.2152386624,0.2152386624,GGA+U,P2_1/c,A2BCD18E6F3_mP124_14_2e_e_ad_18e_6e_3e:Br-Cl-Co-H-N-O,124.0,A2BCD18E6F3_mP124_14_2e_e_ad_18e_6e_3e:Br-Cl-Co-H-N-O +mp-1223420,Li14Nd5Si11N19O7F2,-7.1473289813,-1.8527197035,0.0147142719,0.0147142719,GGA,Pmn2_1,A2B14C19D5E7F11_oP116_31_2a_6a4b_7a6b_a2b_5ab_7a2b:F-Li-N-Nd-O-Si,116.0,"Invalid WP multiplicities - A2B14C19D5E7F11_oP116_31_2a_9a14b_10a21b_a2b_6ab_10a7b:F-Li-N-Nd-O-Si, expected Li37Nd5Si24N52(O4F)2 to be Li14Nd5Si11N19O7F2" +mp-1220814,NaZn3H3S2O9,-5.4601223831,-1.6782872501,0.0647491926,0.0647491926,GGA,P3c1,A3BC9D2E3_hP36_158_abc_a_abc2d_bc_d:H-Na-O-S-Zn,36.0,A3BC9D2E3_hP36_158_abc_a_abc2d_bc_d:H-Na-O-S-Zn +mp-24488,NaZn2H3(SO4)2,-5.5191873503,-1.6525248458,0.0841323111,0.0841323111,GGA,P-1,A3BC8D2E2_aP32_2_3i_i_8i_2i_adi:H-Na-O-S-Zn,32.0,"Invalid WP multiplicities - A3BC8D2E2_aP32_2_3i_i_8i_4i_adi:H-Na-O-S-Zn, expected NaZn2H3(SO2)4 to be NaZn2H3(SO4)2" +mp-23787,Na2ZnH8(SO6)2,-5.6384323634,-1.6912416904,0.0007314192,0.0007314192,GGA,P2_1/c,A8B2C12D2E_mP50_14_4e_e_6e_e_a:H-Na-O-S-Zn,50.0,"Invalid WP multiplicities - A8B2C12D2E_mP50_14_5e_e_10e_e_a:H-Na-O-S-Zn, expected Na2ZnH10(SO10)2 to be Na2ZnH8(SO6)2" +mp-1210740,Na2ZnH4(SO4)2,-5.3029098085,-1.4604328791,0.3015133744,0.3015133744,GGA,P2_1/c,A4B2C8D2E_mP34_14_2e_e_4e_e_a:H-Na-O-S-Zn,34.0,A4B2C8D2E_mP34_14_2e_e_4e_e_a:H-Na-O-S-Zn +mp-695935,Na6ZnH4(S2O9)2,-5.8749403903,-1.9854859715,0.0014282018,0.0014282018,GGA,P-1,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn,33.0,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn +mp-726324,Na6ZnH4(S2O9)2,-1.2381472473,2.6513071715,4.6382213448,4.6382213448,GGA,P-1,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn,33.0,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn +mp-1411667,Na6ZnH4(S2O9)2,-4.3005480691,-0.4110936503,1.575820523,1.575820523,GGA,P-1,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn,33.0,A4B6C18D4E_aP33_2_2i_3i_9i_2i_a:H-Na-O-S-Zn +mp-1221349,Na3Zn2CuH8S4O17,-5.4694247224,-1.5160651313,0.186852531,0.186852531,GGA,P2_1,AB8C3D17E4F2_mP70_4_a_8a_3a_17a_4a_2a:Cu-H-Na-O-S-Zn,70.0,AB8C3D17E4F2_mP70_4_a_8a_3a_17a_4a_2a:Cu-H-Na-O-S-Zn +mp-2716480,NaHf2Sc2P3(SO8)3,-8.0799320489,-2.9007426845,0.0252873766,0.0252873766,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Hf-Na-O-P-S-Sc,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Hf-Na-O-P-S-Sc +mp-2712627,NaHfScP2SO12,-8.1004249037,-2.9928969679,0.018713165,0.018713165,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Hf-Na-O-P-S-Sc,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Hf-Na-O-P-S-Sc, expected NaHfScP7SO60 to be NaHfScP2SO12" +mp-2715993,Na3Hf2Sc2P5SO24,-8.1144263866,-3.0746862887,0.0141838133,0.0141838133,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-S-Sc,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-S-Sc +mp-2712968,HfScP(SO6)2,-8.0552052984,-2.8001391272,0.0188294608,0.0188294608,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Hf-O-P-S-Sc,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Hf-O-P-S-Sc, expected HfScPS3O20 to be HfScP(SO6)2" +mp-2712541,NaLaHfP2SO12,-7.9885286599,-2.9585819464,0.0997083221,0.0997083221,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Hf-La-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Hf-La-Na-O-P-S, expected NaLaHfP7SO60 to be NaLaHfP2SO12" +mp-2713009,LaHfP(SO6)2,-7.9852956174,-2.8123742697000003,0.0449587757,0.0449587757,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Hf-La-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Hf-La-O-P-S, expected LaHfPS3O20 to be LaHfP(SO6)2" +mp-2716536,NaLa2Hf2P3(SO8)3,-8.0099741318,-2.910582596,0.0527157951,0.0527157951,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Hf-La-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Hf-La-Na-O-P-S +mp-2716030,Na3La2Hf2P5SO24,-8.034497476,-3.0702418106,0.0669133248,0.0669133248,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Hf-La-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Hf-La-Na-O-P-S +mp-1232990,KLiNi2H3(SeO5)2,-5.5554227453,-1.2808709886,0.1973182615,0.1973182615,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se +mp-1235148,KLiNi2H3(SeO5)2,-5.6018705116,-1.3273187549,0.1508704952,0.1508704952,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se +mp-1235564,KLiNi2H3(SeO5)2,-5.6130259332,-1.3384741765,0.1397150736,0.1397150736,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se +mp-1236169,KLiNi2H3(SeO5)2,-5.6053994442,-1.3308476876,0.1473415626,0.1473415626,GGA+U,P1,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_aP19_1_3a_a_a_2a_10a_2a:H-K-Li-Ni-O-Se +mp-1235304,KLiNi2H3(SeO5)2,-5.6195777568,-1.3450260002,0.13316325,0.13316325,GGA+U,Cm,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Li-Ni-O-Se +mp-1235990,KLiNi2H3(SeO5)2,-5.6131482932,-1.3385965365,0.1395927136,0.1395927136,GGA+U,Cm,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Li-Ni-O-Se,19.0,A3BCD2E10F2_mC38_8_3a_a_a_b_6a2b_2a:H-K-Li-Ni-O-Se +mp-773004,K2Li2NiO4,-4.9847412753,-1.4730151472,0.0746485063,0.0746485063,GGA+U,P1,A2B2CD4_aP36_1_8a_8a_4a_16a:K-Li-Ni-O,36.0,A2B2CD4_aP36_1_8a_8a_4a_16a:K-Li-Ni-O +mp-764414,K2Li2NiO4,-4.9652404208,-1.4535142928,0.0941493607,0.0941493607,GGA+U,P2_1/c,A2B2CD4_mP36_14_2e_2e_e_4e:K-Li-Ni-O,36.0,"Invalid WP multiplicities - A2B2CD4_mP36_14_7e_5e_e_15e:K-Li-Ni-O, expected K7Li5NiO15 to be K2Li2NiO4" +mp-1212056,K2LiSe2,-2.474193342,-0.2498845988,1.043878223,1.043878223,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:K-Li-Se,5.0,A2BC2_tP5_123_g_a_g:K-Li-Se +mp-1235049,K2LiH2(SeO3)2,-5.1700741154,-1.5095258020000002,0.1331339511,0.1331339511,GGA,P1,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se +mp-1235562,K2LiH2(SeO3)2,-5.1798237262,-1.5192754128,0.1233843403,0.1233843403,GGA,P1,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se +mp-1235569,K2LiH2(SeO3)2,-5.1579668369,-1.4974185236,0.1452412296,0.1452412296,GGA,P1,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se +mp-1235734,K2LiH2(SeO3)2,-5.1407753477,-1.4802270343,0.1624327188,0.1624327188,GGA,P1,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se +mp-1236601,K2LiH2(SeO3)2,-5.1849006946,-1.5243523813,0.1183073719,0.1183073719,GGA,P1,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_1_2a_2a_a_6a_2a:H-K-Li-O-Se +mp-1235461,K2LiH2(SeO3)2,-5.1128602038,-1.4523118905,0.1903478626,0.1903478626,GGA,P-1,A2B2CD6E2_aP13_2_i_i_a_3i_i:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_2_i_i_a_3i_i:H-K-Li-O-Se +mp-1236533,K2LiH2(SeO3)2,-5.1498202631,-1.4892719497,0.1533878034,0.1533878034,GGA,P-1,A2B2CD6E2_aP13_2_i_i_a_3i_i:H-K-Li-O-Se,13.0,A2B2CD6E2_aP13_2_i_i_a_3i_i:H-K-Li-O-Se +mp-8756,KLiSe,-3.5423892617,-1.3706448312,0.0,-0.03478543,GGA,P4/nmm,ABC_tP6_129_c_a_c:K-Li-Se,6.0,ABC_tP6_129_c_a_c:K-Li-Se +mp-774921,KLiNiO2,-5.199213477,-1.4606462938,0.0565369615,0.0565369615,GGA+U,C2/m,ABCD2_mC20_12_i_i_i_2i:K-Li-Ni-O,20.0,ABCD2_mC20_12_i_i_i_2i:K-Li-Ni-O +mp-1273818,KLiNiO2,-5.1301469785,-1.3915797953,0.12560346,0.12560346,GGA+U,C2/m,ABCD2_mC20_12_i_i_i_2i:K-Li-Ni-O,20.0,ABCD2_mC20_12_i_i_i_2i:K-Li-Ni-O +mp-774432,K2Li3NiO4,-5.0193572445,-1.6679114426,0.0,-0.028874496,GGA+U,P2_1/c,A2B3CD4_mP40_14_2e_3e_e_4e:K-Li-Ni-O,40.0,"Invalid WP multiplicities - A2B3CD4_mP40_14_7e_9e_e_15e:K-Li-Ni-O, expected K7Li9NiO15 to be K2Li3NiO4" +mp-2714519,Na4YInSi(PO6)2,-7.0779318877,-2.7864821927000003,0.0386864914,0.0386864914,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:In-Na-O-P-Si-Y,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:In-Na-O-P-Si-Y +mp-2715403,Na3YIn(PO4)3,-7.249642409,-2.8103472701000003,0.0222130605,0.0222130605,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:In-Na-O-P-Y,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:In-Na-O-P-Y +mp-2715289,Na3YIn(PO4)3,-7.2501901368,-2.8108949979,0.0216653327,0.0216653327,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:In-Na-O-P-Y,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:In-Na-O-P-Y +mp-2715621,Na7Y2In2SiP5O24,-7.1643761667,-2.8008067429,0.0292022855,0.0292022855,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:In-Na-O-P-Si-Y,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:In-Na-O-P-Si-Y +mp-2716302,NaIn2Ge2P3(SO8)3,-6.8187112276,-2.1489473804,0.0626019355,0.0626019355,GGA,P1,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ge-In-Na-O-P-S,105.0,A2B2CD24E3F3_aP105_1_6a_6a_3a_72a_9a_9a:Ge-In-Na-O-P-S +mp-2712578,NaInGeP2SO12,-6.8696835839,-2.2574304565,0.0676790032,0.0676790032,GGA,Cc,ABCD12E2F_mC72_9_a_a_a_12a_2a_a:Ge-In-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12E2F_mC72_9_a_a_a_60a_7a_a:Ge-In-Na-O-P-S, expected NaInGeP7SO60 to be NaInGeP2SO12" +mp-2715980,Na3In2Ge2P5SO24,-6.945693349,-2.3878422539,0.0446889635,0.0446889635,GGA,P1,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-In-Na-O-P-S,111.0,A2B2C3D24E5F_aP111_1_6a_6a_9a_72a_15a_3a:Ge-In-Na-O-P-S +mp-2712909,InGeP(SO6)2,-6.7415410397,-2.0108834891,0.0532067321,0.0532067321,GGA,Cc,ABC12DE2_mC204_9_3a_3a_36a_3a_6a:Ge-In-O-P-S,102.0,"Invalid WP multiplicities - ABC12DE2_mC204_9_3a_3a_60a_3a_9a:Ge-In-O-P-S, expected InGePS3O20 to be InGeP(SO6)2" +mp-28914,Cd4P2Br3,-2.8370497883,-0.7062443391000001,0.0,-0.0184578003,GGA,Pa-3,A3B4C2_cP72_205_d_cd_2c:Br-Cd-P,72.0,A3B4C2_cP72_205_d_cd_2c:Br-Cd-P +mp-604998,CdSi3PH27C9Br2,-4.9586993101,-0.2987040621,0.0179193519,0.0179193519,GGA,P2_1/c,A2B9CD27EF3_mP172_14_2e_9e_e_27e_e_3e:Br-C-Cd-H-P-Si,172.0,"Invalid WP multiplicities - A2B9CD27EF3_mP172_14_3e_34e_e_104e_e_10e:Br-C-Cd-H-P-Si, expected CdSi10PH104C34Br3 to be CdSi3PH27C9Br2" +mp-29245,Cd2P3Br,-3.6801076367,-0.4069884083,0.0078559562,0.0078559562,GGA,C2/c,AB2C3_mC24_15_e_f_ef:Br-Cd-P,12.0,AB2C3_mC24_15_e_f_ef:Br-Cd-P +mp-1198259,SiP2H18(C3Br2)2,-4.8634440253,-0.3826344083,0.0162033011,0.0162033011,GGA,P2_1/c,A4B6C18D2E_mP124_14_4e_6e_18e_2e_ab:Br-C-H-P-Si,124.0,A4B6C18D2E_mP124_14_4e_6e_18e_2e_ab:Br-C-H-P-Si +mp-561006,Na2CaVP2O9,-7.4289131628,-2.8234891661,0.0,-0.0010114548,GGA+U,Pnma,AB2C9D2E_oP60_62_c_d_5c2d_2c_c:Ca-Na-O-P-V,60.0,"Invalid WP multiplicities - AB2C9D2E_oP60_62_c_d_19c12d_5c_c:Ca-Na-O-P-V, expected Na2CaVP5O43 to be Na2CaVP2O9" +mp-760057,Na2LiVPO6,-6.9171270432,-2.4870075616,0.0966164787,0.0966164787,GGA+U,P2_1/c,AB2C6DE_mP44_14_e_2e_6e_e_e:Li-Na-O-P-V,44.0,"Invalid WP multiplicities - AB2C6DE_mP44_14_e_3e_23e_e_e:Li-Na-O-P-V, expected Na3LiVPO23 to be Na2LiVPO6" +mp-706342,Na2Ca17V2(PO4)14,-7.6946340722,-3.2143168897,0.0,-0.0077075542,GGA+U,P1,A17B2C56D14E2_aP182_1_34a_4a_112a_28a_4a:Ca-Na-O-P-V,182.0,A17B2C56D14E2_aP182_1_34a_4a_112a_28a_4a:Ca-Na-O-P-V +mp-1223290,Li2CaV12O32,-8.1976621164,-2.3865055799,0.0114476018,0.0114476018,GGA+U,Cm,AB2C32D12_mC94_8_a_b_16a8b_6a3b:Ca-Li-O-V,47.0,AB2C32D12_mC94_8_a_b_16a8b_6a3b:Ca-Li-O-V +mp-759615,Na2LiCaVP2O9,-7.1662480756,-2.7293553995,0.0929192474,0.0929192474,GGA+U,Pna2_1,ABC2D9E2F_oP64_33_a_a_2a_9a_2a_a:Ca-Li-Na-O-P-V,64.0,"Invalid WP multiplicities - ABC2D9E2F_oP64_33_a_a_7a_34a_5a_a:Ca-Li-Na-O-P-V, expected Na7LiCaVP5O34 to be Na2LiCaVP2O9" +mp-849320,Na2Li2V3P2O13,-7.4974197015,-2.5497754838,0.0629456414,0.0629456414,GGA+U,P2_1/c,A2B2C13D2E3_mP88_14_2e_2e_13e_2e_3e:Li-Na-O-P-V,88.0,"Invalid WP multiplicities - A2B2C13D2E3_mP88_14_3e_3e_25e_3e_5e:Li-Na-O-P-V, expected Na3Li3V5P3O25 to be Na2Li2V3P2O13" +mp-2713054,TiGaP(SO6)2,-7.3018820731,-2.362467084,0.0159599031,0.0159599031,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ga-O-P-S-Ti,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ga-O-P-S-Ti, expected TiGaPS3O20 to be TiGaP(SO6)2" +mp-2712746,NaTiGaP2SO12,-7.4072995695,-2.5978866391,0.0256779781,0.0256779781,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ga-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Ga-Na-O-P-S-Ti, expected NaTiGaP7SO60 to be NaTiGaP2SO12" +mp-2716436,NaTi2Ga2P3(SO8)3,-7.3587979447,-2.4862411572,0.02274138,0.02274138,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Ti,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Ti +mp-2716066,Na3Ti2Ga2P5SO24,-7.4406683976,-2.6909861427,0.0387744774,0.0387744774,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Ti,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Ti +mp-572625,Cs3SrCu2C7(SN)7,-6.5953342867,-0.503282957,0.0573829472,0.0573829472,GGA,I-42m,A7B3C2D7E7F_tI108_121_eij_ci_i_eij_eij_e:C-Cs-Cu-N-S-Sr,54.0,"Invalid WP multiplicities - A7B3C2D7E7F_tI108_121_2e4i5j_2c3i_i_2e3i4j_2e4i4j_e:C-Cs-Cu-N-S-Sr, expected Cs8SrCu2C30(S13N12)2 to be Cs3SrCu2C7(SN)7" +mp-29228,CsSrN9,-7.5170911791,-0.4613320745,0.0077384068,0.0077384068,GGA,C2/c,AB9C_mC44_15_e_a4f_e:Cs-N-Sr,22.0,AB9C_mC44_15_e_c4f_e:Cs-N-Sr +mp-621930,Cs2SrN12,-7.3476920683,-0.4464762485,0.009009088,0.009009088,GGA,Cmcm,A2B12C_oC120_63_fg_4cd3ef3gh_f:Cs-N-Sr,60.0,"Invalid WP multiplicities - A2B12C_oC120_63_3f4g_8c3d12e4f10g6h_f:Cs-N-Sr, expected Cs7SrN45 to be Cs2SrN12" +mp-1245374,Sr7SN6,-5.3087488943,-0.5957579236,0.3499324379,0.3499324379,GGA,Pbcn,A6BC7_oP56_60_3d_c_c3d:N-S-Sr,56.0,A6BC7_oP56_60_3d_c_c3d:N-S-Sr +mp-10927,SrC2(SN)2,-7.1488194171,-0.7070031283,0.0395490275,0.0395490275,GGA,C2/c,A2B2C2D_mC28_15_f_f_f_e:C-N-S-Sr,14.0,A2B2C2D_mC28_15_f_f_f_e:C-N-S-Sr +mp-2714711,Na2Ca5Ti3(SO4)12,-7.0355060974,-2.4149634892,0.0094706527,0.0094706527,GGA,P1,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Ti,210.0,A5B2C48D12E3_aP210_1_15a_6a_144a_36a_9a:Ca-Na-O-S-Ti +mp-2714239,NaCa2Ti2PS5O24,-7.2311476576,-2.4899822291,0.0370367601,0.0370367601,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Ti,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ca-Na-O-P-S-Ti +mp-2713948,Na3Ca2Ti2P3(SO8)3,-7.3269949246,-2.7016017931,0.0535766893,0.0535766893,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Ti,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ca-Na-O-P-S-Ti +mp-1048709,Ca5(TiS2)8,-6.6466188045,-1.8405797216,0.1070420705,0.1070420705,GGA,C2/m,A5B16C8_mC58_12_abcf_4i2j_2ij:Ca-S-Ti,29.0,"Invalid WP multiplicities - A5B16C8_mC58_12_abce_8i8j_2ij:Ca-S-Ti, expected Ca5(TiS6)8 to be Ca5(TiS2)8" +mp-1227354,Ca(TiS2)2,-6.7649042029,-1.8588494342,0.0460055264,0.0460055264,GGA,P2/m,AB4C2_mP7_10_c_mn_bd:Ca-S-Ti,7.0,"Invalid WP multiplicities - AB4C2_mP7_10_b_2m2n_ce:Ca-S-Ti, expected Ca(TiS4)2 to be Ca(TiS2)2" +mp-1048593,Ca(TiS2)2,-6.7538809614,-1.8478261927,0.0570287679,0.0570287679,GGA,C2/m,AB4C2_mC14_12_a_2i_i:Ca-S-Ti,7.0,"Invalid WP multiplicities - AB4C2_mC14_12_a_3i_i:Ca-S-Ti, expected Ca(TiS3)2 to be Ca(TiS2)2" +mp-1811207,Ca(TiS2)2,-6.5825587636,-1.6765039949,0.2283509657,0.2283509657,GGA,Imma,AB4C2_oI28_74_a_hi_ce:Ca-S-Ti,14.0,"Invalid WP multiplicities - AB4C2_oI28_74_a_3h3i_ce:Ca-S-Ti, expected Ca(TiS6)2 to be Ca(TiS2)2" +mp-1387400,Ca(TiS2)2,-6.5960583564,-1.6900035877,0.2148513729,0.2148513729,GGA,I4_1/amd,AB4C2_tI28_141_a_h_d:Ca-S-Ti,14.0,AB4C2_tI28_141_a_h_d:Ca-S-Ti +mp-1394188,Ca(TiS2)2,-6.5980762171,-1.6920214485,0.2128335121,0.2128335121,GGA,Fd-3m,AB4C2_cF56_227_a_e_d:Ca-S-Ti,14.0,AB4C2_cF56_227_a_e_d:Ca-S-Ti +mp-1048690,Ca3(TiS2)4,-6.5536079307,-1.8409168212,0.1466206803,0.1466206803,GGA,C2/m,A3B8C4_mC30_12_ae_2ij_hi:Ca-S-Ti,15.0,"Invalid WP multiplicities - A3B8C4_mC30_12_af_3i2j_hi:Ca-S-Ti, expected Ca3(Ti2S7)2 to be Ca3(TiS2)4" +mp-2713239,Na2CaTiP2SO12,-7.2916912537,-2.7196143116,0.1034865825,0.1034865825,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Ca-Na-O-P-S-Ti,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Ca-Na-O-P-S-Ti, expected Na2CaTiP7SO60 to be Na2CaTiP2SO12" +mp-2713742,CaTi(SO4)3,-7.191704547,-2.3875453686,0.0,-0.0095126463,GGA,R3c,AB12C3D_hR102_161_a_4b_b_a:Ca-O-S-Ti,102.0,"Invalid WP multiplicities - AB12C3D_hR102_161_a_12b_b_a:Ca-O-S-Ti, expected CaTi(SO12)3 to be CaTi(SO4)3" +mp-2716370,NaCaTi3P3(SO8)3,-7.6829015795,-2.7004905106,0.0258821695,0.0258821695,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Ti,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Ca-Na-O-P-S-Ti +mp-2716082,Na7Ca3TiP5SO24,-7.0296535937,-2.8078618819,0.0412170405,0.0412170405,GGA,P1,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Ti,123.0,A3B7C24D5EF_aP123_1_9a_21a_72a_15a_3a_3a:Ca-Na-O-P-S-Ti +mp-2716000,Na3CaTi3P5SO24,-7.7247578693,-2.8711594022,0.0488964083,0.0488964083,GGA,P1,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Ti,111.0,AB3C24D5EF3_aP111_1_3a_9a_72a_15a_3a_9a:Ca-Na-O-P-S-Ti +mp-2714177,Na2CaTi3P4(SO12)2,-7.7092340094,-2.7930183054,0.0418978396,0.0418978396,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Ti,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-P-S-Ti +mp-2714925,Na6Ca7Ti(SO4)12,-6.7450921982,-2.4620070701,0.019219404,0.019219404,GGA,P1,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Ti,222.0,A7B6C48D12E_aP222_1_21a_18a_144a_36a_3a:Ca-Na-O-S-Ti +mp-1048678,Ca7(TiS2)8,-6.4478537287,-1.8224881428,0.2023898611,0.2023898611,GGA,P-3m1,A7B16C8_hP31_164_aef_2d2i_ci:Ca-S-Ti,31.0,"Invalid WP multiplicities - A7B16C8_hP31_164_a3e3f_4d12i_ci:Ca-S-Ti, expected Ca19(TiS10)8 to be Ca7(TiS2)8" +mp-2714565,NaCaTiP(SO6)2,-7.2453269903,-2.5636556589,0.0837795198,0.0837795198,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Ca-Na-O-P-S-Ti,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Ca-Na-O-P-S-Ti, expected NaCaTiPS3O20 to be NaCaTiP(SO6)2" +mp-2714864,Na5Ca3TiP3(SO8)3,-6.9809277112,-2.6759352929,0.0551827318,0.0551827318,GGA,P1,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Ti,117.0,A3B5C24D3E3F_aP117_1_9a_15a_72a_9a_9a_3a:Ca-Na-O-P-S-Ti +mp-2714956,Na5Ca2Ti2P5SO24,-7.345512934,-2.8240180178000003,0.0593460686,0.0593460686,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Ti,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ca-Na-O-P-S-Ti +mp-1048666,Ca3(TiS2)8,-6.8282467033,-1.8147676795,0.0359571469,0.0359571469,GGA,C2/m,A3B16C8_mC54_12_af_4i2j_2ij:Ca-S-Ti,27.0,"Invalid WP multiplicities - A3B16C8_mC54_12_ae_8i8j_2ij:Ca-S-Ti, expected Ca3(TiS6)8 to be Ca3(TiS2)8" +mp-2712828,CaTi3P2(SO6)4,-7.6363875372,-2.5838872583,0.0148622079,0.0148622079,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Ti,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Ca-O-P-S-Ti +mp-1041194,CaTiS2,-6.334065435,-1.7905675274,0.2693171975,0.2693171975,GGA,P-3m1,AB2C_hP4_164_a_d_b:Ca-S-Ti,4.0,AB2C_hP4_164_a_d_b:Ca-S-Ti +mp-2713683,Na3Ca3TiPS5O24,-6.9227060647,-2.5255182688,0.0472463005,0.0472463005,GGA,P1,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Ti,111.0,A3B3C24DE5F_aP111_1_9a_9a_72a_3a_15a_3a:Ca-Na-O-P-S-Ti +mp-1048662,Ca(TiS2)4,-6.9178806723,-1.7887139891,0.0024161915,-0.0056921156,GGA,C2/m,AB8C4_mC26_12_a_2ij_hi:Ca-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_mC26_12_a_3i2j_hi:Ca-S-Ti, expected Ca(Ti2S7)2 to be Ca(TiS2)4" +mp-1405110,Ca(TiS2)4,-6.8556120046,-1.7264453214,0.0646848592,0.0565765521,GGA,R-3m,AB8C4_hR39_166_b_ch_ad:Ca-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_b_c2h_ad:Ca-S-Ti, expected Ca(Ti2S7)2 to be Ca(TiS2)4" +mp-1386933,Ca(TiS2)4,-6.9202968638,-1.7911301806000002,0.0,-0.0081083071,GGA,R-3m,AB8C4_hR39_166_a_ch_bd:Ca-S-Ti,13.0,"Invalid WP multiplicities - AB8C4_hR39_166_a_c2h_bd:Ca-S-Ti, expected Ca(Ti2S7)2 to be Ca(TiS2)4" +mp-1048589,Ca(TiS2)8,-6.9654174796,-1.7113081243,0.0,-0.0080104416,GGA,P-3m1,AB16C8_hP25_164_a_2d2i_ci:Ca-S-Ti,25.0,"Invalid WP multiplicities - AB16C8_hP25_164_a_4d12i_ci:Ca-S-Ti, expected Ca(TiS10)8 to be Ca(TiS2)8" +mp-2712597,Na6Ca3TiP4(SO12)2,-7.0066953391,-2.7443432829,0.0490333742,0.0490333742,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Ti,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-P-S-Ti +mp-2714212,Na2Ca3Ti(SO4)6,-6.8872302551,-2.4401032963,0.0191702424,0.0191702424,GGA,P3,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Ti,108.0,A3B2C24D6E_hP108_143_2a3b4c_2a2b2c_24d_6d_2ab:Ca-Na-O-S-Ti +mp-1368283,CaTi2S5,-6.4845558606,-1.6747017047,0.1313907931,0.1313907931,GGA,Pmmn,AB5C2_oP16_59_a_b2e_e:Ca-S-Ti,16.0,AB5C2_oP16_59_a_b2e_e:Ca-S-Ti +mp-2713380,Na4Ca3TiP2(SO6)4,-6.9473682547,-2.5974912447,0.0652806452,0.0652806452,GGA,P1,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Ti,114.0,A3B4C24D2E4F_aP114_1_9a_12a_72a_6a_12a_3a:Ca-Na-O-P-S-Ti +mp-24313,ZnH6(CO3)2,-5.950897622,-1.3006600798,0.076319518,0.076319518,GGA,P2_1/c,A2B6C6D_mP60_14_2e_6e_6e_ad:C-H-O-Zn,60.0,A2B6C6D_mP60_14_2e_6e_6e_ab:C-H-O-Zn +mp-1195353,NaZnH2C3O7,-6.7602932636,-1.6402548029,0.0377977458,0.0377977458,GGA,P2_1/c,A3B2CD7E_mP56_14_3e_2e_e_7e_e:C-H-Na-O-Zn,56.0,A3B2CD7E_mP56_14_3e_2e_e_7e_e:C-H-Na-O-Zn +mp-1207528,Zn7H10(CO8)2,-5.583599992,-1.5736052467,0.0100886924,0.0100886924,GGA,C2/c,A2B10C16D7_mC140_15_f_5f_8f_e3f:C-H-O-Zn,70.0,A2B10C16D7_mC140_15_f_5f_8f_e3f:C-H-O-Zn +mp-1204132,Zn3H14C10O13,-6.1829937015,-0.9862186107,0.1634630068,0.1634630068,GGA,P2_1/c,A10B14C13D3_mP160_14_10e_14e_13e_ab2e:C-H-O-Zn,160.0,A10B14C13D3_mP160_14_10e_14e_13e_ab2e:C-H-O-Zn +mp-1093996,ZnHC4O3,-7.1694522278,-0.9019858101,0.1711852974,0.1711852974,GGA,R-3,A4BC3D_hR162_148_4f_f_3f_f:C-H-O-Zn,54.0,"Invalid WP multiplicities - A4BC3D_hR162_148_11f_f_7f_f:C-H-O-Zn, expected ZnHC11O7 to be ZnHC4O3" +mp-1202110,Zn3H12C9O13,-6.2529116676,-1.0675904231,0.1459933697,0.1459933697,GGA,P2_1/c,A9B12C13D3_mP148_14_9e_12e_13e_ab2e:C-H-O-Zn,148.0,A9B12C13D3_mP148_14_9e_12e_13e_ab2e:C-H-O-Zn +mp-709039,ZnH2(CO2)2,-6.4616724299,-1.3184189266,0.1218443895,0.1218443895,GGA,P2_1,A2B2C4D_mP108_4_12a_12a_24a_6a:C-H-O-Zn,108.0,A2B2C4D_mP108_4_12a_12a_24a_6a:C-H-O-Zn +mp-557581,ZnH2(CO2)2,-6.4646319827,-1.3213784794,0.1188848368,0.1188848368,GGA,P2_1/c,A2B2C4D_mP108_14_6e_6e_12e_ab2e:C-H-O-Zn,108.0,"Invalid WP multiplicities - A2B2C4D_mP108_14_21e_22e_46e_2a2b6e:C-H-O-Zn, expected Zn8H22C21O46 to be ZnH2(CO2)2" +mp-1007768,ZnHCO4,-6.2810397264,-1.4713411561,0.1057001031,0.1057001031,GGA,P6_3/m,ABC4D_hP42_176_h_h_2hi_g:C-H-O-Zn,42.0,"Invalid WP multiplicities - ABC4D_hP42_176_h_h_11h4i_g:C-H-O-Zn, expected ZnHCO19 to be ZnHCO4" +mp-24714,ZnH4(CO3)2,-6.3144027465,-1.4707018971,0.0265325493,0.0265325493,GGA,C2/c,A2B4C6D_mC52_15_f_2f_3f_e:C-H-O-Zn,26.0,"Invalid WP multiplicities - A2B4C6D_mC52_15_f_4f_10f_e:C-H-O-Zn, expected ZnH8(CO10)2 to be ZnH4(CO3)2" +mp-1197486,Zn3H10C10O13,-6.4396384978,-1.0424135131,0.1747513748,0.1747513748,GGA,P2_1/c,A10B10C13D3_mP144_14_10e_10e_13e_ab2e:C-H-O-Zn,144.0,A10B10C13D3_mP144_14_10e_10e_13e_ab2e:C-H-O-Zn +mp-505772,Rb2NaH5(CO4)2,-6.1031723907,-1.7543910386,0.0,-0.0042445383,GGA,Pnma,A2B5CD8E2_oP72_62_2c_c2d_c_6cd_d:C-H-Na-O-Rb,72.0,A2B5CD8E2_oP72_62_2c_c2d_c_6cd_d:C-H-Na-O-Rb +mp-698274,ZnH8(CO2)4,-6.1478431733,-1.153094429,0.1400661389,0.1400661389,GGA,C2/c,A4B8C8D_mC84_15_2f_4f_4f_c:C-H-O-Zn,42.0,A4B8C8D_mC84_15_2f_4f_4f_c:C-H-O-Zn +mp-766230,Rb2NaZn2H5(C2O7)2,-6.4028019118,-1.7979799543,0.0,-0.0141904651,GGA,P2_1/c,A4B5CD14E2F2_mP56_14_2e_a2e_d_7e_e_e:C-H-Na-O-Rb-Zn,56.0,"Invalid WP multiplicities - A4B5CD14E2F2_mP56_14_5e_2a6e_d_25e_e_e:C-H-Na-O-Rb-Zn, expected Rb2NaZn2H14(CO5)10 to be Rb2NaZn2H5(C2O7)2" +mp-556641,Na2LiAlP2H2O9,-6.7101534575,-2.567106117,0.0046806799,0.0046806799,GGA,Pcca,AB2CD2E9F2_oP136_54_ad_2f_f_bcde_9f_2f:Al-H-Li-Na-O-P,136.0,"Invalid WP multiplicities - AB2CD2E9F2_oP136_54_3a2d_8f_f_4b4c3d2e_64f_8f:Al-H-Li-Na-O-P, expected Na13Li2Al5P16(HO8)16 to be Na2LiAlP2H2O9" +mp-24413,Na2LiAlH6,-3.1876903705,-0.3220998151,0.0,-0.0083861747,GGA,P2_1/c,AB6CD2_mP20_14_a_3e_d_e:Al-H-Li-Na,20.0,AB6CD2_mP20_14_a_3e_b_e:Al-H-Li-Na +mp-644092,Na2LiAlH6,-3.183728049,-0.3181374936,0.0039623215,-0.0044238532,GGA,Fm-3m,AB6CD2_cF40_225_a_e_b_c:Al-H-Li-Na,10.0,AB6CD2_cF40_225_a_e_b_c:Al-H-Li-Na +mp-757868,K2Li3CoO4,-5.2615731225,-1.7773092091,0.0,-0.0213044302,GGA+U,P2_1/c,AB2C3D4_mP40_14_e_2e_3e_4e:Co-K-Li-O,40.0,"Invalid WP multiplicities - AB2C3D4_mP40_14_e_7e_9e_15e:Co-K-Li-O, expected K7Li9CoO15 to be K2Li3CoO4" +mp-753408,KLiCoO2,-5.598306293,-1.5941028868,0.0092281304,0.0092281304,GGA+U,C2/m,ABCD2_mC20_12_i_i_i_2i:Co-K-Li-O,10.0,"Invalid WP multiplicities - ABCD2_mC20_12_i_i_i_3i:Co-K-Li-O, expected KLiCoO3 to be KLiCoO2" +mp-1235518,K2BaLiCo(NO2)6,-6.5320321596,-1.2043692213,0.1952302258,0.1952302258,GGA+U,P1,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O,23.0,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O +mp-1235524,K2BaLiCo(NO2)6,-6.5196120122,-1.1919490739,0.2076503732,0.2076503732,GGA+U,P1,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O,23.0,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O +mp-1236436,K2BaLiCo(NO2)6,-6.5415353522,-1.2138724139,0.1857270332,0.1857270332,GGA+U,P1,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O,23.0,ABC2DE6F12_aP23_1_a_a_2a_a_6a_12a:Ba-Co-K-Li-N-O +mp-1235514,K2BaLiCo(NO2)6,-6.5318502648,-1.2041873265,0.1954121206,0.1954121206,GGA+U,Cm,ABC2DE6F12_mC46_8_a_a_b_a_4ab_4a4b:Ba-Co-K-Li-N-O,23.0,"Invalid WP multiplicities - ABC2DE6F12_mC46_8_a_a_b_a_4ab_4a5b:Ba-Co-K-Li-N-O, expected K2BaLiCo(N3O7)2 to be K2BaLiCo(NO2)6" +mp-1236558,K2BaLiCo(NO2)6,-6.4282428048,-1.1005798665,0.2990195806,0.2990195806,GGA+U,Fmm2,ABC2DE6F12_oF92_42_a_a_b_a_2acd_2c2de:Ba-Co-K-Li-N-O,23.0,"Invalid WP multiplicities - ABC2DE6F12_oF92_42_a_a_b_a_2acd_3c3de:Ba-Co-K-Li-N-O, expected K2BaLiCo(N3O8)2 to be K2BaLiCo(NO2)6" +mp-757055,K2Li2CoO4,-5.3309651503,-1.6716633428,0.0384409151,0.0384409151,GGA+U,P1,AB2C2D4_aP36_1_4a_8a_8a_16a:Co-K-Li-O,36.0,AB2C2D4_aP36_1_4a_8a_8a_16a:Co-K-Li-O +mp-761245,K2Li2CoO4,-5.3497383908,-1.6904365834,0.0196676745,0.0196676745,GGA+U,P2_1/c,AB2C2D4_mP36_14_e_2e_2e_4e:Co-K-Li-O,36.0,"Invalid WP multiplicities - AB2C2D4_mP36_14_e_7e_5e_15e:Co-K-Li-O, expected K7Li5CoO15 to be K2Li2CoO4" +mp-772317,Li3Co(NO2)6,-6.614827035,-1.0596306495,0.1105797994,0.1105797994,GGA+U,R-3m,AB3C6D12_hR66_166_a_bc_h_2h:Co-Li-N-O,22.0,"Invalid WP multiplicities - AB3C6D12_hR66_166_a_b2c_h_5h:Co-Li-N-O, expected Li5Co(NO5)6 to be Li3Co(NO2)6" +mp-1195793,BaFePHO5,-7.3776655333,-2.4967246158,0.0237910094,0.0237910094,GGA+U,P2_12_12_1,ABCD5E_oP36_19_a_a_a_5a_a:Ba-Fe-H-O-P,36.0,ABCD5E_oP36_19_a_a_a_5a_a:Ba-Fe-H-O-P +mp-1173859,Na9Fe2P4HO18,-6.6089883222,-2.4051911771,0.0,-0.0054673707,GGA+U,Cc,A2BC9D18E4_mC136_9_2a_a_9a_18a_4a:Fe-H-Na-O-P,68.0,"Invalid WP multiplicities - A2BC9D18E4_mC136_9_4a_a_18a_36a_8a:Fe-H-Na-O-P, expected Na18Fe4P8HO36 to be Na9Fe2P4HO18" +mp-735530,Ba2Fe3P6HO22,-7.7462119085,-2.6301029014,0.0,-0.0073410146,GGA+U,P-1,A2B3CD22E6_aP34_2_i_bi_e_11i_3i:Ba-Fe-H-O-P,34.0,A2B3CD22E6_aP34_2_i_bi_e_11i_3i:Ba-Fe-H-O-P +mp-744713,NaFe3P2(H4O7)2,-6.6122842286,-1.8281897909,0.0160333733,0.0160333733,GGA+U,P4_12_12,A3B8CD14E2_tP112_92_ab_4b_a_7b_b:Fe-H-Na-O-P,112.0,A3B8CD14E2_tP112_92_ab_4b_a_7b_b:Fe-H-Na-O-P +mp-1201072,Na2FeP2(HO3)2,-6.5582771994,-2.0654109558,0.0293038818,0.0293038818,GGA+U,Pnma,AB2C2D6E2_oP52_62_c_2c_2c_2c2d_2c:Fe-H-Na-O-P,52.0,AB2C2D6E2_oP52_62_c_2c_2c_2c2d_2c:Fe-H-Na-O-P +mp-1228787,BaFe2P4H4O17,-7.0912265507,-2.1563394201,0.0992927892,0.0992927892,GGA+U,P2_1,AB2C4D17E4_mP56_4_a_2a_4a_17a_4a:Ba-Fe-H-O-P,56.0,AB2C4D17E4_mP56_4_a_2a_4a_17a_4a:Ba-Fe-H-O-P +mp-1228712,Ba2FeP4HO14,-7.6009354091,-2.7551377219,0.0128872411,0.0128872411,GGA+U,P1,A2BCD14E4_aP22_1_2a_a_a_14a_4a:Ba-Fe-H-O-P,22.0,A2BCD14E4_aP22_1_2a_a_a_14a_4a:Ba-Fe-H-O-P +mp-695982,BaNaP3(HO2)6,-6.5399187915,-2.2269610281,0.0390968715,0.0390968715,GGA,P-1,AB6CD12E3_aP46_2_i_6i_i_12i_3i:Ba-H-Na-O-P,46.0,AB6CD12E3_aP46_2_i_6i_i_12i_3i:Ba-H-Na-O-P +mp-735783,BaNaFe4P6H3O25,-7.361647249,-2.2754773483,0.0586119472,0.0586119472,GGA+U,P2_1/c,AB4C3DE25F6_mP160_14_e_4e_3e_e_25e_6e:Ba-Fe-H-Na-O-P,160.0,AB4C3DE25F6_mP160_14_e_4e_3e_e_25e_6e:Ba-Fe-H-Na-O-P +mp-1193301,NaFe2P2HO8,-7.4154341343,-2.2686192442,0.0184556575,0.0159257806,GGA+U,P-1,A2BCD8E2_aP28_2_2i_i_i_8i_2i:Fe-H-Na-O-P,28.0,A2BCD8E2_aP28_2_2i_i_i_8i_2i:Fe-H-Na-O-P +mp-1287635,NaFe2P2HO8,-7.4338897918,-2.2870749017,0.0,-0.0025298769,GGA+U,P-1,A2BCD8E2_aP28_2_2i_i_i_8i_2i:Fe-H-Na-O-P,28.0,"Invalid WP multiplicities - A2BCD8E2_aP28_2_4i_i_i_8i_2i:Fe-H-Na-O-P, expected NaFe4P2HO8 to be NaFe2P2HO8" +mp-1220899,Na6Fe2P4HO17,-6.8305500053,-2.3633887272000003,0.0221474309,0.0221474309,GGA+U,P1,A2BC6D17E4_aP60_1_4a_2a_12a_34a_8a:Fe-H-Na-O-P,60.0,A2BC6D17E4_aP60_1_4a_2a_12a_34a_8a:Fe-H-Na-O-P +mp-1228444,BaFeP3H2O11,-7.3875276336,-2.5081981012,0.0013931792,0.0013931792,GGA+U,P1,ABC2D11E3_aP36_1_2a_2a_4a_22a_6a:Ba-Fe-H-O-P,36.0,ABC2D11E3_aP36_1_2a_2a_4a_22a_6a:Ba-Fe-H-O-P +mp-707911,NaFeP3H7O13,-6.5733890284,-2.009849445,0.0050031178,0.0050031178,GGA+U,Pbcn,AB7CD13E3_oP200_60_d_7d_d_13d_2c2d:Fe-H-Na-O-P,200.0,AB7CD13E3_oP200_60_d_7d_d_13d_2c2d:Fe-H-Na-O-P +mp-1197635,NaFe2P2H5O11,-6.7453166093,-1.9612033343,0.0193025477,0.0193025477,GGA+U,P2_1/c,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Fe-H-Na-O-P,84.0,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Fe-H-Na-O-P +mp-1199184,Ba3Ti2(O3F5)2,-6.2475861839,-2.8979275746,0.3172106832,0.3172106832,GGA,P4_2/mbc,A3B10C6D2_tP84_135_bh_3hi_gi_h:Ba-F-O-Ti,84.0,A3B10C6D2_tP84_135_bh_3hi_gi_h:Ba-F-O-Ti +mp-1228335,Ba4TiAl3P4(O5F)4,-7.4933209269,-3.1866259439,0.0767564363,0.0767564363,GGA,P-1,A3B4C4D20E4F_aP36_2_acf_2i_2i_10i_2i_h:Al-Ba-F-O-P-Ti,36.0,"Invalid WP multiplicities - A3B4C4D20E4F_aP36_2_acf_4i_4i_20i_4i_h:Al-Ba-F-O-P-Ti, expected Ba8TiAl3P8(O5F)8 to be Ba4TiAl3P4(O5F)4" +mp-1044573,Ba2Ti2AlF11,-6.4355666808,-3.6605180317,0.1181656272,0.1181656272,GGA,P3_2,AB2C11D2_hP48_145_a_2a_11a_2a:Al-Ba-F-Ti,48.0,"Invalid WP multiplicities - AB2C11D2_hP48_145_a_5a_31a_5a:Al-Ba-F-Ti, expected Ba5Ti5AlF31 to be Ba2Ti2AlF11" +mp-1214467,BaAlPO5F,-7.3156978069,-3.1242782736,0.0881131734,0.0881131734,GGA,P2_1/c,ABCD5E_mP36_14_ad_e_e_5e_e:Al-Ba-F-O-P,36.0,ABCD5E_mP36_14_ad_e_e_5e_e:Al-Ba-F-O-P +mp-16915,BaTiOF4,-7.1314352961,-3.9304250764,0.0,-0.015169048,GGA,Pbcm,AB4CD_oP28_57_d_2de_c_d:Ba-F-O-Ti,28.0,AB4CD_oP28_57_d_2de_c_d:Ba-F-O-Ti +mp-561256,Ba2TiOF6,-6.804918677,-3.9900182357,0.0104745523,0.0104745523,GGA,Cc,A2B6CD_mC40_9_2a_6a_a_a:Ba-F-O-Ti,20.0,"Invalid WP multiplicities - A2B6CD_mC40_9_3a_11a_a_a:Ba-F-O-Ti, expected Ba3TiOF11 to be Ba2TiOF6" +mp-2712743,Na3CaYSi(SO6)2,-6.9356796972,-2.6607732385,0.0908499644,0.0908499644,GGA,Cc,AB3C12D2EF_mC240_9_3a_9a_36a_6a_3a_3a:Ca-Na-O-S-Si-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC240_9_3a_12a_60a_9a_3a_3a:Ca-Na-O-S-Si-Y, expected Na4CaYSiS3O20 to be Na3CaYSi(SO6)2" +mp-686346,Ca17(Y7S19)2,-6.2287955629,-2.1445797877,0.2456514794,0.2456514794,GGA,Cm,A17B38C14_mC138_8_17a_38a_14a:Ca-S-Y,69.0,A17B38C14_mC138_8_17a_38a_14a:Ca-S-Y +mp-2712575,Na6Ca4Y4SiS11O48,-7.0520522496,-2.5900149464,0.0357316698,0.0357316698,GGA,P1,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Ca-Na-O-S-Si-Y,222.0,A4B6C48D11EF4_aP222_1_12a_18a_144a_33a_3a_12a:Ca-Na-O-S-Si-Y +mp-2714757,NaCaY3(SO4)6,-7.3504642926,-2.5999852416,0.0116839299,0.0116839299,GGA,P3,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Ca-Na-O-S-Y,105.0,ABC24D6E3_hP105_143_2ab_a2b_24d_6d_2a3b4c:Ca-Na-O-S-Y +mp-2714206,Na7CaY3Si3(SO8)3,-7.1103150313,-2.7671803231,0.0990984385,0.0990984385,GGA,P1,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-S-Si-Y,123.0,AB7C24D3E3F3_aP123_1_3a_21a_72a_9a_9a_9a:Ca-Na-O-S-Si-Y +mp-2714937,Na3Ca3Y(SO4)6,-6.8406320062,-2.5165759277,0.0200208686,0.0200208686,GGA,P1,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ca-Na-O-S-Y,111.0,A3B3C24D6E_aP111_1_9a_9a_72a_18a_3a:Ca-Na-O-S-Y +mp-18642,Ca(YS2)2,-6.8840346371,-2.3862715551,0.0,-0.0034048921,GGA,Pnma,AB4C2_oP28_62_c_4c_2c:Ca-S-Y,28.0,AB4C2_oP28_62_c_4c_2c:Ca-S-Y +mp-2714189,NaCaY(SO4)3,-7.0867920398,-2.5554470163,0.0176432957,0.0176432957,GGA,R3c,ABC12D3E_hR108_161_a_a_4b_b_a:Ca-Na-O-S-Y,108.0,"Invalid WP multiplicities - ABC12D3E_hR108_161_a_a_12b_b_a:Ca-Na-O-S-Y, expected NaCaY(SO12)3 to be NaCaY(SO4)3" +mp-2715101,Na8Ca2Y2Si3(SO8)3,-6.8666553094000005,-2.7016510928,0.1022703876,0.1022703876,GGA,P1,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Ca-Na-O-S-Si-Y,126.0,A2B8C24D3E3F2_aP126_1_6a_24a_72a_9a_9a_6a:Ca-Na-O-S-Si-Y +mp-2714780,Na10Ca4Y4Si3(S3O16)3,-6.9681585797,-2.6340739907,0.0886461748,0.0886461748,GGA,P1,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Ca-Na-O-S-Si-Y,234.0,A4B10C48D9E3F4_aP234_1_12a_30a_144a_27a_9a_12a:Ca-Na-O-S-Si-Y +mp-2713192,Na4Ca2Y2SiS5O24,-7.0145166983,-2.6181393406,0.0574921953,0.0574921953,GGA,P1,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Ca-Na-O-S-Si-Y,114.0,A2B4C24D5EF2_aP114_1_6a_12a_72a_15a_3a_6a:Ca-Na-O-S-Si-Y +mp-2715853,Na14Ca4Y4Si5S7O48,-6.8995616953,-2.680946629,0.0980229148,0.0980229148,GGA,P1,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Ca-Na-O-S-Si-Y,246.0,A4B14C48D7E5F4_aP246_1_12a_42a_144a_21a_15a_12a:Ca-Na-O-S-Si-Y +mp-733858,CaH4Se2O7,-5.7145891804,-1.6292214665,0.0146891954,0.0146891954,GGA,P-1,AB4C7D2_aP28_2_i_4i_7i_2i:Ca-H-O-Se,28.0,AB4C7D2_aP28_2_i_4i_7i_2i:Ca-H-O-Se +mp-1233117,KCaNi2H3(SeO5)2,-5.7664032384,-1.4867632179,0.1516925633,0.1516925633,GGA+U,P1,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se,19.0,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se +mp-1233148,KCaNi2H3(SeO5)2,-5.7515256232,-1.4718856026,0.1665701786,0.1665701786,GGA+U,P1,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se,19.0,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se +mp-1234581,KCaNi2H3(SeO5)2,-5.7011788295,-1.421538809,0.2169169723,0.2169169723,GGA+U,P1,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se,19.0,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se +mp-1234797,KCaNi2H3(SeO5)2,-5.6457442632,-1.3661042426,0.2723515386,0.2723515386,GGA+U,P1,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se,19.0,AB3CD2E10F2_aP19_1_a_3a_a_2a_10a_2a:Ca-H-K-Ni-O-Se +mp-24534,CaH4SeO6,-5.7546713842,-1.6919590671,0.0061794552,0.0061794552,GGA,C2/c,AB4C6D_mC48_15_e_2f_3f_e:Ca-H-O-Se,24.0,"Invalid WP multiplicities - AB4C6D_mC48_15_e_2f_6f_e:Ca-H-O-Se, expected CaH4SeO12 to be CaH4SeO6" +mp-1197414,CaH4Se2O9,-5.7072402506,-1.5142074121,0.0082847266,0.0082847266,GGA,P2_1/c,AB4C9D2_mP64_14_e_4e_9e_2e:Ca-H-O-Se,64.0,AB4C9D2_mP64_14_e_4e_9e_2e:Ca-H-O-Se +mp-23657,Na6S2ClO8F,-5.5992354806,-2.2913701021,0.0,-0.0052077199,GGA,Fm-3m,ABC6D8E2_cF72_225_a_b_e_f_c:Cl-F-Na-O-S,18.0,ABC6D8E2_cF72_225_a_b_e_f_c:Cl-F-Na-O-S +mp-693393,Na13Ca7S12Cl2O48F,-6.3390628701,-2.4364238725,0.0231901482,0.0231901482,GGA,P1,A7B2CD13E48F12_aP83_1_7a_2a_a_13a_48a_12a:Ca-Cl-F-Na-O-S,83.0,A7B2CD13E48F12_aP83_1_7a_2a_a_13a_48a_12a:Ca-Cl-F-Na-O-S +mp-695559,Na13Ca7S12Cl2O48F,-6.3397301705,-2.4370911728,0.0225228478,0.0225228478,GGA,P1,A7B2CD13E48F12_aP83_1_7a_2a_a_13a_48a_12a:Ca-Cl-F-Na-O-S,83.0,A7B2CD13E48F12_aP83_1_7a_2a_a_13a_48a_12a:Ca-Cl-F-Na-O-S +mp-721012,Na13Ca7S12(ClO16)3,-6.3238521678,-2.4219715112,0.015269747,0.015269747,GGA,P1,A7B3C13D48E12_aP83_1_7a_3a_13a_48a_12a:Ca-Cl-Na-O-S,83.0,A7B3C13D48E12_aP83_1_7a_3a_13a_48a_12a:Ca-Cl-Na-O-S +mp-720360,Na13Ca7S12Cl(O24F)2,-6.3793470678,-2.4759497291,0.0060370539,0.0060370539,GGA,P1,A7BC2D13E48F12_aP83_1_7a_a_2a_13a_48a_12a:Ca-Cl-F-Na-O-S,83.0,A7BC2D13E48F12_aP83_1_7a_a_2a_13a_48a_12a:Ca-Cl-F-Na-O-S +mp-680169,Na21S7Cl(O14F3)2,-5.6659907944,-2.3556277053,0.0,-0.0010083605,GGA,P31m,AB6C21D28E7_hP189_157_ab_6c_7c7d_3a3b11c7d_3a3b4c:Cl-F-Na-O-S,189.0,"Invalid WP multiplicities - AB6C21D28E7_hP189_157_ab_18c_19c39d_3a6b32c40d_3a5b10c:Cl-F-Na-O-S, expected Na291S43Cl3(O13F2)27 to be Na21S7Cl(O14F3)2" +mp-554285,Na15S5Cl(O5F)4,-5.654532443,-2.3445689876,0.0007775012,0.0007775012,GGA,P31m,AB4C15D20E5_hP135_157_ab_4c_5c5d_2a2b8c5d_2a2b3c:Cl-F-Na-O-S,135.0,"Invalid WP multiplicities - AB4C15D20E5_hP135_157_ab_7c_15c23d_2a3b22c27d_2a3b8c:Cl-F-Na-O-S, expected Na183S32Cl3O236F21 to be Na15S5Cl(O5F)4" +mp-532575,Na13Ca7S12(O16F)3,-6.4063185677,-2.502162888,0.001972911,0.001972911,GGA,Pm,A7B3C13D48E12_mP83_6_2a5b_a2b_4ab4c_12a12b12c_6a6b:Ca-F-Na-O-S,83.0,"Invalid WP multiplicities - A7B3C13D48E12_mP83_6_2a5b_a2b_4ab6c_12a12b12c_6a6b:Ca-F-Na-O-S, expected Na17Ca7S12(O16F)3 to be Na13Ca7S12(O16F)3" +mp-1214204,Ca5S3O12F,-6.5283225126,-2.5421752506,0.3201067812,0.3201067812,GGA,P6_3/m,A5BC12D3_hP42_176_fh_a_2hi_h:Ca-F-O-S,42.0,A5BC12D3_hP42_176_fh_a_2hi_h:Ca-F-O-S +mp-775365,Al6H16C5(Cl2O)6,-5.2378227091,-1.3542011236,0.0716377566,0.0716377566,GGA,P-1,A6B5C12D16E6_aP90_2_6i_5i_12i_16i_6i:Al-C-Cl-H-O,90.0,"Invalid WP multiplicities - A6B5C12D16E6_aP90_2_11i_9i_23i_30i_11i:Al-C-Cl-H-O, expected Al11H30C9Cl23O11 to be Al6H16C5(Cl2O)6" +mp-1202994,AlSiH11C3O,-5.1226252897,-0.4682979048,0.080977424,0.080977424,GGA,C2/c,AB3C11DE_mC136_15_f_3f_11f_f_f:Al-C-H-O-Si,68.0,AB3C11DE_mC136_15_f_3f_11f_f_f:Al-C-H-O-Si +mp-24308,AlSiH9C3Cl2O,-5.2825565371,-0.8098984915,0.0,-0.0023397782,GGA,P2_1/c,AB3C2D9EF_mP68_14_e_3e_2e_9e_e_e:Al-C-Cl-H-O-Si,68.0,"Invalid WP multiplicities - AB3C2D9EF_mP68_14_e_3e_2e_13e_e_e:Al-C-Cl-H-O-Si, expected AlSiH13C3Cl2O to be AlSiH9C3Cl2O" +mp-780796,Li2Mn2P2(H4O5)3,-6.2731672145,-1.7919088952000002,0.0586274302,0.0586274302,GGA+U,P-1,A12B2C2D15E2_aP66_2_12i_2i_2i_15i_2i:H-Li-Mn-O-P,66.0,"Invalid WP multiplicities - A12B2C2D15E2_mC132_15_18f_f_f_2e26f_f:H-Li-Mn-O-P, expected LiMnP(H2O3)9 to be Li2Mn2P2(H4O5)3" +mp-849364,Li2Mn2P2(H4O5)3,-6.2624772126,-1.7812188932000002,0.0693174322,0.0693174322,GGA+U,Cc,A12B2C2D15E2_mC132_9_12a_2a_2a_15a_2a:H-Li-Mn-O-P,66.0,"Invalid WP multiplicities - A12B2C2D15E2_mC132_15_18f_f_f_2e26f_f:H-Li-Mn-O-P, expected LiMnP(H2O3)9 to be Li2Mn2P2(H4O5)3" +mp-1177931,Li2Mn2P2(H4O5)3,-6.273296043,-1.7920377236,0.0584986017,0.0584986017,GGA+U,C2/c,A12B2C2D15E2_mC132_15_6f_f_f_e7f_f:H-Li-Mn-O-P,66.0,"Invalid WP multiplicities - A12B2C2D15E2_mC132_15_18f_f_f_2e26f_f:H-Li-Mn-O-P, expected LiMnP(H2O3)9 to be Li2Mn2P2(H4O5)3" +mp-23871,CsMnP3HO10,-7.4356807994,-2.4883721530000003,0.0,-0.032744643,GGA+U,C2,ABCD10E3_mC32_5_a_b_b_5c_ac:Cs-H-Mn-O-P,16.0,"Invalid WP multiplicities - ABCD10E3_mC32_5_a_b_b_6c_ac:Cs-H-Mn-O-P, expected CsMnP3HO12 to be CsMnP3HO10" +mp-757231,LiMn2P2HO8,-7.7211519636,-2.4335952351,0.0367837737,0.0367837737,GGA+U,P-1,ABC2D8E2_aP28_2_i_i_2i_8i_2i:H-Li-Mn-O-P,28.0,ABC2D8E2_aP28_2_i_i_2i_8i_2i:H-Li-Mn-O-P +mp-755339,LiMn2P2HO8,-7.721568257499999,-2.434011529,0.0363674798,0.0363674798,GGA+U,P2_1,ABC2D8E2_mP28_4_a_a_2a_8a_2a:H-Li-Mn-O-P,28.0,ABC2D8E2_mP28_4_a_a_2a_8a_2a:H-Li-Mn-O-P +mp-780127,Li9Mn2P4HO18,-6.9199579991,-2.5202324327,0.0649486097,0.0649486097,GGA+U,Ima2,AB9C2D18E4_oI136_46_b_4a3bc_c_10b4c_4b:H-Li-Mn-O-P,68.0,"Invalid WP multiplicities - AB9C2D18E4_oI136_46_b_8a6b2c_c_20b13c_8b:H-Li-Mn-O-P, expected Li18Mn2P8HO46 to be Li9Mn2P4HO18" +mp-780733,LiMn2P2HO9,-7.6042097453,-2.3393775513,0.0301095938,0.0301095938,GGA+U,P2_1/m,ABC2D9E2_mP30_11_e_e_ae_5e2f_2e:H-Li-Mn-O-P,30.0,"Invalid WP multiplicities - ABC2D9E2_mP30_11_e_e_ae_9e4f_3e:H-Li-Mn-O-P, expected LiMn2P3HO17 to be LiMn2P2HO9" +mp-780897,Li2Mn2P4H6O17,-6.9729166037,-2.1908149681,0.0252663703,0.0252663703,GGA+U,P-1,A6B2C2D17E4_aP62_2_6i_2i_2i_17i_4i:H-Li-Mn-O-P,62.0,"Invalid WP multiplicities - A6B2C2D17E4_aP62_2_11i_3i_3i_33i_7i:H-Li-Mn-O-P, expected Li3Mn3P7(HO3)11 to be Li2Mn2P4H6O17" +mp-771909,Li4Mn2P4H3O16,-7.1286446,-2.4066401313,0.0307285305,0.0307285305,GGA+U,P1,A3B4C2D16E4_aP29_1_3a_4a_2a_16a_4a:H-Li-Mn-O-P,29.0,A3B4C2D16E4_aP29_1_3a_4a_2a_16a_4a:H-Li-Mn-O-P +mp-752778,CsLiMnP3HO10,-7.2642535004,-2.4956734294,0.0486752298,0.0486752298,GGA+U,C2,ABCDE10F3_mC34_5_b_a_a_a_5c_bc:Cs-H-Li-Mn-O-P,68.0,ABCDE10F3_mC34_5_b_a_a_a_5c_bc:Cs-H-Li-Mn-O-P +mp-850407,LiMnP(H6O5)2,-5.8893652802,-1.6228116675000002,0.0379176803,0.0379176803,GGA+U,Pmn2_1,A12BCD10E_oP50_31_2a5b_a_a_4a3b_a:H-Li-Mn-O-P,50.0,"Invalid WP multiplicities - A12BCD10E_oP50_31_4a18b_a_a_8a10b_a:H-Li-Mn-O-P, expected LiMnP(H10O7)4 to be LiMnP(H6O5)2" +mp-775205,Li3MnP2HO8,-7.0929818652,-2.5142068891,0.0353215593,0.0353215593,GGA+U,P-1,AB3CD8E2_aP15_2_d_ai_b_4i_i:H-Li-Mn-O-P,60.0,AB3CD8E2_aP15_2_d_ai_b_4i_i:H-Li-Mn-O-P +mp-759656,Li3MnP2HO8,-7.0874408723,-2.5086658963,0.0408625522,0.0408625522,GGA+U,P2_1,AB3CD8E2_mP30_4_a_3a_a_8a_2a:H-Li-Mn-O-P,30.0,"Invalid WP multiplicities - AB3CD8E2_mP30_4_a_4a_a_16a_2a:H-Li-Mn-O-P, expected Li4MnP2HO16 to be Li3MnP2HO8" +mp-778069,LiMnP2H5O9,-6.6339801506,-2.0016817173,0.0842666163,0.0842666163,GGA+U,P-1,A5BCD9E2_aP36_2_5i_i_i_9i_2i:H-Li-Mn-O-P,36.0,"Invalid WP multiplicities - A5BCD9E2_aP36_2_9i_i_i_17i_3i:H-Li-Mn-O-P, expected LiMnP3H9O17 to be LiMnP2H5O9" +mp-759026,LiMn3P2(HO3)4,-7.2268902374,-2.0835837614,0.0383503878,0.0383503878,GGA+U,P2_1/c,A4BC3D12E2_mP88_14_4e_e_3e_12e_2e:H-Li-Mn-O-P,88.0,"Invalid WP multiplicities - A4BC3D12E2_mP88_14_15e_e_9e_45e_7e:H-Li-Mn-O-P, expected LiMn9P7(HO3)15 to be LiMn3P2(HO3)4" +mp-755477,LiMnPHO5,-7.2770270786,-2.3203148268,0.0,-0.0007870111,GGA+U,P-1,ABCD5E_aP18_2_i_i_ab_5i_i:H-Li-Mn-O-P,36.0,"Invalid WP multiplicities - ABCD5E_aP18_2_i_i_2a2b_5i_i:H-Li-Mn-O-P, expected LiMn2PHO5 to be LiMnPHO5" +mp-803039,LiMnPHO5,-4.3769074456,0.5798048063,2.9001196331,2.8993326219,GGA+U,P-1,ABCD5E_aP18_2_i_i_be_5i_i:H-Li-Mn-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_i_i_be_9i_i:H-Li-Mn-O-P, expected LiMnPHO9 to be LiMnPHO5" +mp-1324942,LiMnPHO5,-4.238889225,0.7178230269,3.0381378536,3.0373508425,GGA+U,P-1,ABCD5E_aP18_2_i_i_ab_5i_i:H-Li-Mn-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_i_i_ab_9i_i:H-Li-Mn-O-P, expected LiMnPHO9 to be LiMnPHO5" +mp-759579,LiMnPH2O5,-6.9853720386,-2.1850584075,0.0436839314,0.0436839314,GGA+U,P1,A2BCD5E_aP80_1_16a_8a_8a_40a_8a:H-Li-Mn-O-P,80.0,A2BCD5E_aP80_1_16a_8a_8a_40a_8a:H-Li-Mn-O-P +mp-779907,LiMnPH2O5,-6.9893394042,-2.1890257731,0.0397165658,0.0397165658,GGA+U,Pca2_1,A2BCD5E_oP80_29_4a_2a_2a_10a_2a:H-Li-Mn-O-P,80.0,A2BCD5E_oP80_29_8a_4a_4a_20a_4a:H-Li-Mn-O-P +mp-758824,LiMnPH2O5,-7.007661724,-2.2073480928,0.021394246,0.021394246,GGA+U,Pca2_1,A2BCD5E_oP80_29_4a_2a_2a_10a_2a:H-Li-Mn-O-P,80.0,A2BCD5E_oP80_29_8a_4a_4a_20a_4a:H-Li-Mn-O-P +mp-780882,LiMnPH2O5,-6.9428865215,-2.1425728903,0.0861694485,0.0861694485,GGA+U,Pmn2_1,A2BCD5E_oP20_31_b_a_a_3ab_a:H-Li-Mn-O-P,20.0,A2BCD5E_oP20_31_b_a_a_3ab_a:H-Li-Mn-O-P +mp-831046,LiMnPH2O5,-6.9399108977,-2.1395972666,0.0891450723,0.0891450723,GGA+U,Pmn2_1,A2BCD5E_oP20_31_b_a_a_3ab_a:H-Li-Mn-O-P,40.0,A2BCD5E_oP20_31_b_a_a_3ab_a:H-Li-Mn-O-P +mp-780487,LiMnPH2O5,-6.9938649485,-2.1935513173,0.0351910215,0.0351910215,GGA+U,Pna2_1,A2BCD5E_oP40_33_2a_a_a_5a_a:H-Li-Mn-O-P,40.0,"Invalid WP multiplicities - A2BCD5E_oP40_33_5a_a_a_17a_a:H-Li-Mn-O-P, expected LiMnPH5O17 to be LiMnPH2O5" +mp-780580,LiMnPH2O5,-6.960583882,-2.1602702508,0.068472088,0.068472088,GGA+U,Pna2_1,A2BCD5E_oP40_33_2a_a_a_5a_a:H-Li-Mn-O-P,40.0,"Invalid WP multiplicities - A2BCD5E_oP40_33_5a_a_a_17a_a:H-Li-Mn-O-P, expected LiMnPH5O17 to be LiMnPH2O5" +mp-778123,Li2Mn3P4(HO4)4,-7.3503680426,-2.3270913117,0.0280677251,0.0280677251,GGA+U,P2_1/c,A4B2C3D16E4_mP58_14_2e_e_ae_8e_2e:H-Li-Mn-O-P,58.0,"Invalid WP multiplicities - A4B2C3D16E4_mP58_14_5e_e_2a2e_29e_5e:H-Li-Mn-O-P, expected LiMn3P5H5O29 to be Li2Mn3P4(HO4)4" +mp-763324,Li2Mn2P4H3O16,-7.1929486115,-2.2625677278,0.0560183597,0.0560183597,GGA+U,P1,A3B2C2D16E4_aP27_1_3a_2a_2a_16a_4a:H-Li-Mn-O-P,27.0,A3B2C2D16E4_aP27_1_3a_2a_2a_16a_4a:H-Li-Mn-O-P +mp-1664329,Li2Mn2P4H3O16,-7.2125868304,-2.2822059467,0.0363801408,0.0363801408,GGA+U,P1,A3B2C2D16E4_aP27_1_3a_2a_2a_16a_4a:H-Li-Mn-O-P,27.0,A3B2C2D16E4_aP27_1_3a_2a_2a_16a_4a:H-Li-Mn-O-P +mp-850441,LiMn2P2H9O13,-6.5034680856,-1.8404663776,0.0580983775,0.0580983775,GGA+U,Pba2,A9BC2D13E2_oP54_32_a4c_b_c_a6c_c:H-Li-Mn-O-P,54.0,"Invalid WP multiplicities - A9BC2D13E2_oP54_32_2a14c_b_c_2a22c_c:H-Li-Mn-O-P, expected LiMn2P2(H15O23)2 to be LiMn2P2H9O13" +mp-780864,LiMn2P2H5O11,-6.8892827207,-2.0113415534,0.0633691258,0.0633691258,GGA+U,P2_1/c,A5BC2D11E2_mP84_14_5e_e_2e_11e_2e:H-Li-Mn-O-P,84.0,"Invalid WP multiplicities - A5BC2D11E2_mP84_14_17e_e_7e_41e_7e:H-Li-Mn-O-P, expected LiMn7P7H17O41 to be LiMn2P2H5O11" +mp-779443,Li2MnP2HO8,-7.2336773954,-2.4641986972,0.0051882192,0.0051882192,GGA+U,P2_1,AB2CD8E2_mP28_4_a_2a_a_8a_2a:H-Li-Mn-O-P,28.0,"Invalid WP multiplicities - AB2CD8E2_mP28_4_a_2a_a_16a_2a:H-Li-Mn-O-P, expected Li2MnP2HO16 to be Li2MnP2HO8" +mp-759299,Li2MnP4(H4O5)4,-6.2564685662,-1.8878531709,0.0152881303,0.0152881303,GGA+U,P2_1/c,A16B2CD20E4_mP86_14_8e_e_a_10e_2e:H-Li-Mn-O-P,86.0,"Invalid WP multiplicities - A16B2CD20E4_mP86_14_31e_e_a_37e_3e:H-Li-Mn-O-P, expected Li2MnP6(H31O37)2 to be Li2MnP4(H4O5)4" +mp-780330,Li2MnP4H3O14,-7.0634523248,-2.3107485271,0.0631317018,0.0631317018,GGA+U,P2_1/c,A3B2CD14E4_mP48_14_ae_e_d_7e_2e:H-Li-Mn-O-P,48.0,"Invalid WP multiplicities - A3B2CD14E4_mP48_14_2a3e_e_d_25e_5e:H-Li-Mn-O-P, expected Li2MnP10(H4O25)2 to be Li2MnP4H3O14" +mp-780095,LiMnP3(HO5)2,-7.2457804363,-2.3302989727,0.0791695452,0.0791695452,GGA+U,P2_1/c,A2BCD10E3_mP68_14_2e_e_e_10e_3e:H-Li-Mn-O-P,68.0,"Invalid WP multiplicities - A2BCD10E3_mP68_14_7e_e_e_37e_11e:H-Li-Mn-O-P, expected LiMnP11H7O37 to be LiMnP3(HO5)2" +mp-780468,LiMn2P4H11O18,-6.6499672175,-1.9764520293,0.0430604086,0.0430604086,GGA+U,P1,A11BC2D18E4_aP36_1_11a_a_2a_18a_4a:H-Li-Mn-O-P,36.0,A11BC2D18E4_aP36_1_11a_a_2a_18a_4a:H-Li-Mn-O-P +mp-807588,Li3Mn2P4HO14,-5.3960397896,-0.4647740724,2.1116983508,2.1116983508,GGA+U,P-1,AB3C2D14E4_aP24_2_a_ei_i_7i_2i:H-Li-Mn-O-P,24.0,"Invalid WP multiplicities - AB3C2D14E4_aP24_2_a_e2i_i_13i_3i:H-Li-Mn-O-P, expected Li5Mn2P6HO26 to be Li3Mn2P4HO14" +mp-1337141,Li3Mn2P4HO14,-6.6627991458,-1.7315334286,0.8449389946,0.8449389946,GGA+U,P-1,AB3C2D14E4_aP24_2_a_ei_i_7i_2i:H-Li-Mn-O-P,24.0,"Invalid WP multiplicities - AB3C2D14E4_aP24_2_a_e2i_i_13i_3i:H-Li-Mn-O-P, expected Li5Mn2P6HO26 to be Li3Mn2P4HO14" +mp-1204876,LiMnP3(H5O7)2,-6.4173050267,-1.9175895755,0.0331859653,0.0331859653,GGA+U,P-1,A10BCD14E3_aP58_2_10i_i_i_14i_3i:H-Li-Mn-O-P,58.0,A10BCD14E3_aP58_2_10i_i_i_14i_3i:H-Li-Mn-O-P +mp-1238576,LiMnP3(H5O7)2,-6.2113431722,-1.7116277210000002,0.2391478198,0.2391478198,GGA+U,P-1,A10BCD14E3_aP58_2_10i_i_i_14i_3i:H-Li-Mn-O-P,58.0,A10BCD14E3_aP58_2_10i_i_i_14i_3i:H-Li-Mn-O-P +mp-1177930,Li2Mn2P3(HO4)3,-7.2139535357,-2.3084886944,0.0622189087,0.0622189087,GGA+U,P2_1/c,A3B2C2D12E3_mP88_14_3e_2e_2e_12e_3e:H-Li-Mn-O-P,88.0,"Invalid WP multiplicities - A3B2C2D12E3_mP88_14_5e_3e_3e_45e_5e:H-Li-Mn-O-P, expected Li3Mn3P5(HO9)5 to be Li2Mn2P3(HO4)3" +mp-1235619,LiMn2P2(H2O5)2,-7.0947553147,-2.1422632223,0.020460008,0.020460008,GGA+U,P1,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Li-Mn-O-P,19.0,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Li-Mn-O-P +mp-779055,Li4Mn3P4(HO8)2,-7.3860275195,-2.4650820423,0.0485057208,0.0485057208,GGA+U,P2_1/c,A2B4C3D16E4_mP58_14_e_2e_ae_8e_2e:H-Li-Mn-O-P,58.0,"Invalid WP multiplicities - A2B4C3D16E4_mP58_14_e_7e_2a2e_29e_3e:H-Li-Mn-O-P, expected Li7Mn3P3HO29 to be Li4Mn3P4(HO8)2" +mp-779351,Li4MnP6(H4O11)2,-6.7460462566,-2.2278393833,0.0568374032,0.0568374032,GGA+U,P-1,A8B4CD22E6_aP41_2_4i_2i_a_11i_3i:H-Li-Mn-O-P,41.0,"Invalid WP multiplicities - A8B4CD22E6_aP41_2_7i_3i_a_21i_5i:H-Li-Mn-O-P, expected Li6MnP10(HO3)14 to be Li4MnP6(H4O11)2" +mp-780879,LiMn3P3(HO6)2,-7.7293088326,-2.406423457,0.0092599201,0.0092599201,GGA+U,C2/c,A2BC3D12E3_mC84_15_f_e_ef_6f_ef:H-Li-Mn-O-P,42.0,"Invalid WP multiplicities - A2BC3D12E3_mC84_15_f_e_e2f_23f_e2f:H-Li-Mn-O-P, expected LiMn5P5(HO23)2 to be LiMn3P3(HO6)2" +mp-754235,LiMnP2HO7,-7.4465712642,-2.4534804145,0.0271159321,0.0271159321,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P,48.0,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P +mp-780113,LiMnP2HO7,-7.406400234999999,-2.4133093853,0.0672869612,0.0672869612,GGA+U,P-1,ABCD7E2_aP48_2_2i_2i_2i_14i_4i:H-Li-Mn-O-P,48.0,"Invalid WP multiplicities - ABCD7E2_aP48_2_4i_2i_4i_28i_6i:H-Li-Mn-O-P, expected LiMn2P3(HO7)2 to be LiMnP2HO7" +mp-778991,LiMnP2HO7,-7.4284026015,-2.4353117518,0.0452845948,0.0452845948,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P,48.0,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P +mp-1577040,LiMnP2HO7,-7.4299598558,-2.4368690062,0.0437273404,0.0437273404,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P,24.0,ABCD7E2_aP24_2_i_i_i_7i_2i:H-Li-Mn-O-P +mp-783907,LiMnP2HO7,-7.4369563256,-2.443865476,0.0367308706,0.0367308706,GGA+U,P2_1/c,ABCD7E2_mP48_14_e_e_e_7e_2e:H-Li-Mn-O-P,48.0,"Invalid WP multiplicities - ABCD7E2_mP48_14_e_e_e_25e_3e:H-Li-Mn-O-P, expected LiMnP3HO25 to be LiMnP2HO7" +mp-759055,Li3Mn4P3H12O19,-6.650213194,-1.9352245271,0.073567342,0.073567342,GGA+U,R3c,A12B3C4D19E3_hR246_161_4b_b_ab_a6b_b:H-Li-Mn-O-P,82.0,"Invalid WP multiplicities - A12B3C4D19E3_hR246_161_20b_b_a2b_a30b_b:H-Li-Mn-O-P, expected Li3Mn7P3H60O91 to be Li3Mn4P3H12O19" +mp-697181,CsLi2(HO)3,-5.0009627739,-1.6974636212,0.0,-0.0129930139,GGA,P2_1/m,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O,18.0,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O +mp-1182786,CsLi2(HO)3,-4.9978458806,-1.6943467279000002,0.0031168933,-0.0098761206,GGA,P2_1/m,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O,18.0,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O +mp-1239118,CsLi2(HO)3,-4.9638906722,-1.6603915195,0.0370721017,0.0240790878,GGA,P2_1/m,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O,18.0,AB3C2D3_mP18_11_e_3e_f_3e:Cs-H-Li-O +mp-1195536,CsLi5Mn(P2O7)2,-7.1223903673,-2.702035008,0.0,-0.0016839017,GGA+U,Pbcn,AB5CD14E4_oP100_60_c_a2d_c_2c6d_2d:Cs-Li-Mn-O-P,100.0,AB5CD14E4_oP100_60_c_a2d_c_2c6d_2d:Cs-Li-Mn-O-P +mp-780319,Li3MnP2H2O9,-6.8954503712,-2.3648009949,0.0373982781,0.0373982781,GGA+U,C2/m,A2B3CD9E2_mC68_12_2i_fgi_e_5i2j_2i:H-Li-Mn-O-P,34.0,"Invalid WP multiplicities - A2B3CD9E2_mC68_12_3i_eg2i_f_9i4j_3i:H-Li-Mn-O-P, expected Li4MnP3H3O17 to be Li3MnP2H2O9" +mp-780516,LiMnP2(HO4)2,-7.1532608291,-2.2777961897,0.0310568357,0.0310568357,GGA+U,Cc,A2BCD8E2_mC112_9_4a_2a_2a_16a_4a:H-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A2BCD8E2_mC112_9_8a_4a_2a_32a_7a:H-Li-Mn-O-P, expected Li4Mn2P7(HO4)8 to be LiMnP2(HO4)2" +mp-777578,LiMnP2(HO4)2,-7.1140639045,-2.238599265,0.0702537603,0.0702537603,GGA+U,P2_1/c,A2BCD8E2_mP56_14_2e_e_e_8e_2e:H-Li-Mn-O-P,56.0,"Invalid WP multiplicities - A2BCD8E2_mP56_14_7e_e_e_31e_7e:H-Li-Mn-O-P, expected LiMnP7H7O31 to be LiMnP2(HO4)2" +mp-755468,LiMnP2(HO4)2,-7.1730733048,-2.2976086654,0.0112443599,0.0112443599,GGA+U,P2_12_12,A2BCD8E2_oP28_18_c_a_b_4c_c:H-Li-Mn-O-P,56.0,A2BCD8E2_oP28_18_c_a_b_4c_c:H-Li-Mn-O-P +mp-1298635,LiMnP3HO10,-7.4069191556,-2.3962654784,0.0664135434,0.0664135434,GGA+U,P1,ABCD10E3_aP16_1_a_a_a_10a_3a:H-Li-Mn-O-P,32.0,ABCD10E3_aP16_1_a_a_a_10a_3a:H-Li-Mn-O-P +mp-753040,LiMnP3HO10,-7.3789452831,-2.3682916059,0.0943874159,0.0943874159,GGA+U,C2,ABCD10E3_mC32_5_a_b_a_5c_bc:H-Li-Mn-O-P,16.0,"Invalid WP multiplicities - ABCD10E3_mC32_5_a_b_a_9c_b2c:H-Li-Mn-O-P, expected LiMnP5HO18 to be LiMnP3HO10" +mp-780391,LiMnP3HO10,-7.4239562416,-2.4133025643,0.0493764574,0.0493764574,GGA+U,P2/c,ABCD10E3_mP32_13_a_e_b_5g_fg:H-Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABCD10E3_mP32_13_a_e_b_17g_2f3g:H-Li-Mn-O-P, expected LiMnP8HO34 to be LiMnP3HO10" +mp-780418,LiMnP3HO10,-7.395027465,-2.3843737877,0.078305234,0.078305234,GGA+U,C2/c,ABCD10E3_mC64_15_c_e_d_5f_ef:H-Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABCD10E3_mC64_15_a_e_b_17f_e2f:H-Li-Mn-O-P, expected LiMnP5HO34 to be LiMnP3HO10" +mp-849312,LiMnP3HO10,-7.4401462064,-2.4294925291,0.0331864926,0.0331864926,GGA+U,Pca2_1,ABCD10E3_oP64_29_a_a_a_10a_3a:H-Li-Mn-O-P,64.0,"Invalid WP multiplicities - ABCD10E3_oP64_29_a_a_a_37a_9a:H-Li-Mn-O-P, expected LiMnP9HO37 to be LiMnP3HO10" +mp-780204,LiMnP4(H2O7)2,-7.0711681288,-2.2566391986,0.0124501343,0.0124501343,GGA+U,P-1,A4BCD14E4_aP24_2_2i_a_e_7i_2i:H-Li-Mn-O-P,48.0,A4BCD14E4_aP24_2_2i_a_e_7i_2i:H-Li-Mn-O-P +mp-780729,LiMnP3H8O13,-6.5496539865,-1.9819767833,0.0456717161,0.0456717161,GGA+U,P-1,A8BCD13E3_aP52_2_8i_bc_i_13i_3i:H-Li-Mn-O-P,52.0,"Invalid WP multiplicities - A8BCD13E3_aP52_2_15i_bc_i_25i_5i:H-Li-Mn-O-P, expected LiMnP5(H3O5)5 to be LiMnP3H8O13" +mp-782660,LiMnP3H8O13,-6.5401508942,-1.972473691,0.0551748084,0.0551748084,GGA+U,P-1,A8BCD13E3_aP52_2_8i_i_bc_13i_3i:H-Li-Mn-O-P,52.0,"Invalid WP multiplicities - A8BCD13E3_aP52_2_15i_i_bc_25i_5i:H-Li-Mn-O-P, expected LiMnP5(H3O5)5 to be LiMnP3H8O13" +mp-754995,Li2MnPHO5,-7.0112223567,-2.3592890434,0.054721123,0.054721123,GGA+U,P1,AB2CD5E_aP20_1_2a_4a_2a_10a_2a:H-Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_aP20_1_2a_4a_4a_10a_2a:H-Li-Mn-O-P, expected Li2Mn2PHO5 to be Li2MnPHO5" +mp-776954,Li2MnPHO5,-7.0086057845,-2.3566724712,0.0573376953,0.0573376953,GGA+U,P-1,AB2CD5E_aP20_2_i_2i_ab_5i_i:H-Li-Mn-O-P,20.0,AB2CD5E_aP20_2_i_2i_ab_5i_i:H-Li-Mn-O-P +mp-782645,Li2MnPHO5,-7.008806506,-2.3568731927,0.0571369738,0.0571369738,GGA+U,P2_1/c,AB2CD5E_mP40_14_e_2e_e_5e_e:H-Li-Mn-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_mP40_14_e_7e_e_17e_e:H-Li-Mn-O-P, expected Li7MnPHO17 to be Li2MnPHO5" +mp-18722,Cs2LiMnO4,-5.9666755419,-1.8856133234,0.0,-0.0867329508,GGA+U,Cmc2_1,A2BCD4_oC32_36_2a_a_a_2ab:Cs-Li-Mn-O,32.0,A2BCD4_oC32_36_2a_a_a_2ab:Cs-Li-Mn-O +mp-2715048,Na5Al2Ga2P5SO24,-6.9983724113,-2.6372580102,0.0480841714,0.0480841714,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Ga-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-Ga-Na-O-P-S +mp-2714049,NaAl2Ga2PS5O24,-6.8118760355,-2.2494203238,0.0293670936,0.0293670936,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-Ga-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-Ga-Na-O-P-S +mp-2713852,Na3Al2Ga2P3(SO8)3,-6.9196285077,-2.4632851084,0.0509650701,0.0509650701,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-Ga-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-Ga-Na-O-P-S +mp-2715765,NaAlGaP(SO6)2,-6.8816081934,-2.37368242,0.0295439877,0.0295439877,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-Ga-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-Ga-Na-O-P-S +mp-2713329,Na2AlGaP2SO12,-6.9588327539,-2.5513568669,0.0680737261,0.0680737261,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-Ga-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-Ga-Na-O-P-S +mp-1195621,Rb2U(Si2O5)3,-8.2035751454,-3.2033786036,0.0,-0.0096700972,GGA,C2/c,A15B2C6D_mC192_15_15f_2f_6f_f:O-Rb-Si-U,96.0,A15B2C6D_mC192_15_15f_2f_6f_f:O-Rb-Si-U +mp-1199161,Na7U5(SiO6)4,-8.354055607,-3.2006423996,0.0005564574,0.0005564574,GGA,P-1,A7B24C4D5_aP40_2_a3i_12i_2i_d2i:Na-O-Si-U,40.0,A7B24C4D5_aP40_2_a3i_12i_2i_d2i:Na-O-Si-U +mp-1191243,Na3U2O10F7,-6.4748204791,-2.4112915798,0.0612351681,0.0612351681,GGA,P-1,A7B3C10D2_aP22_2_b3i_di_5i_i:F-Na-O-U,22.0,A7B3C10D2_aP22_2_b3i_di_5i_i:F-Na-O-U +mp-1193598,RbNaUSi2O9,-7.723804115,-2.7977109838,0.1470089179,0.1470089179,GGA,P-1,AB9CD2E_aP28_2_i_9i_i_2i_be:Na-O-Rb-Si-U,28.0,AB9CD2E_aP28_2_i_9i_i_2i_be:Na-O-Rb-Si-U +mp-1204232,Na9U3Si4(O10F)2,-7.5628911021,-3.0830236823,0.0,-0.0156827344,GGA,P2/m,A2B9C20D4E3_mP38_10_m_bjklm_2m2n3o_o_an:F-Na-O-Si-U,38.0,"Invalid WP multiplicities - A2B9C20D4E3_mP38_10_m_bjklm_2m2n6o_o_an:F-Na-O-Si-U, expected Na9U3Si4(O16F)2 to be Na9U3Si4(O10F)2" +mp-1197419,Rb6NaU3Si4O20F,-7.8371913507,-3.1621489201,0.0,-0.0266231615,GGA,Pnnm,ABC20D6E4F3_oP70_58_c_a_4g3h_gh_h_bg:F-Na-O-Rb-Si-U,70.0,ABC20D6E4F3_oP70_58_c_a_4g3h_gh_h_bg:F-Na-O-Rb-Si-U +mp-560004,Na2USiO6,-7.9733103816,-3.0691192922,0.0411026798,0.0411026798,GGA,I4_1/acd,A2B6CD_tI160_142_abf_3g_e_c:Na-O-Si-U,80.0,"Invalid WP multiplicities - A2B6CD_tI160_142_3a4b4f_35g_e_c:Na-O-Si-U, expected Na15U2(SiO70)2 to be Na2USiO6" +mp-560638,Na2U2Si(O4F)2,-8.3218676883,-3.3852239375,0.0,-0.0210093537,GGA,I4_1/amd,A2B2C8DE2_tI60_141_e_c_2h_b_e:F-Na-O-Si-U,30.0,"Invalid WP multiplicities - A2B2C8DE2_tI60_141_e_c_12h_b_e:F-Na-O-Si-U, expected Na2U2Si(O24F)2 to be Na2U2Si(O4F)2" +mp-1204174,Rb2USi2O9,-7.7339728313,-2.8323076445,0.1161839298,0.1161839298,GGA,P2_1/c,A9B2C2D_mP112_14_18e_4e_4e_ace:O-Rb-Si-U,112.0,A9B2C2D_mP112_14_18e_4e_4e_ace:O-Rb-Si-U +mp-555974,Rb2U(SiO3)4,-8.1875351858,-3.2236396695,0.0,-0.0300253823,GGA,P-1,A12B2C4D_aP38_2_12i_2i_4i_i:O-Rb-Si-U,38.0,"Invalid WP multiplicities - A12B2C4D_aP38_2_23i_4i_7i_i:O-Rb-Si-U, expected Rb4USi7O23 to be Rb2U(SiO3)4" +mp-1173652,NaMg2Fe3P4(H9O13)2,-6.0130293269,-1.5450786908,0.380548694,0.380548694,GGA+U,P2/c,A3B18C2DE26F4_mP108_13_ace_9g_bf_e_13g_2g:Fe-H-Mg-Na-O-P,108.0,"Invalid WP multiplicities - A3B18C2DE26F4_mP108_13_ac2e_17g_bf_e_25g_3g:Fe-H-Mg-Na-O-P, expected NaMg2Fe4P6(H17O25)2 to be NaMg2Fe3P4(H9O13)2" +mp-24752,MgFe2P2(HO)18,-6.0595099446,-1.6820369423,0.0140707914,0.0140707914,GGA+U,P-1,A2B18CD18E2_aP41_2_ac_9i_f_9i_i:Fe-H-Mg-O-P,41.0,"Invalid WP multiplicities - A2B18CD18E2_aP41_2_ac_11i_f_11i_i:Fe-H-Mg-O-P, expected MgFe2P2(HO)22 to be MgFe2P2(HO)18" +mp-1233436,Rb3TbMgV2O8,-7.0168721373,-2.5557007908,0.0980531444,0.0980531444,GGA+U,P1,AB8C3DE2_aP15_1_a_8a_3a_a_2a:Mg-O-Rb-Tb-V,15.0,AB8C3DE2_aP15_1_a_8a_3a_a_2a:Mg-O-Rb-Tb-V +mp-2220009,Tb2MgV2O8,-8.360293693100001,-3.0825756869,0.1357674946,0.1357674946,GGA+U,C2,AB8C2D2_mC26_5_a_4c_c_c:Mg-O-Tb-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_8c_c_c:Mg-O-Tb-V, expected Tb2MgV2O16 to be Tb2MgV2O8" +mp-2219204,Tb2MgV2O8,-8.3601377369,-3.0824197308,0.1359234508,0.1359234508,GGA+U,C2,AB8C2D2_mC26_5_a_4c_ab_ab:Mg-O-Tb-V,13.0,"Invalid WP multiplicities - AB8C2D2_mC26_5_a_7c_ab_ab:Mg-O-Tb-V, expected Tb2MgV2O14 to be Tb2MgV2O8" +mp-19428,K2RbTbV2O8,-7.4158562614,-2.7317834117,0.0,-0.0268622131,GGA+U,P-3m1,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Tb-V,14.0,A2B8CDE2_hP14_164_d_di_a_b_d:K-O-Rb-Tb-V +mp-2232285,K2RbTbMgV2O8,-7.010961918,-2.5324752549,0.1684543351,0.1684543351,GGA+U,Cm,A2BC8DEF2_mC30_8_2a_a_4a2b_a_a_2a:K-Mg-O-Rb-Tb-V,15.0,A2BC8DEF2_mC30_8_2a_a_4a2b_a_a_2a:K-Mg-O-Rb-Tb-V +mp-2232297,K2RbTbMgV2O8,-6.981640764,-2.5031541009,0.1977754891,0.1977754891,GGA+U,Cm,A2BC8DEF2_mC30_8_2a_a_4a2b_a_a_2a:K-Mg-O-Rb-Tb-V,15.0,A2BC8DEF2_mC30_8_2a_a_4a2b_a_a_2a:K-Mg-O-Rb-Tb-V +mp-2232136,K2RbTbMgV2O8,-7.0156883127,-2.5372016496,0.1637279405,0.1637279405,GGA+U,C2/m,A2BC8DEF2_mC30_12_i_b_2ij_c_a_i:K-Mg-O-Rb-Tb-V,15.0,"Invalid WP multiplicities - A2BC8DEF2_mC30_12_i_a_3i3j_c_b_i:K-Mg-O-Rb-Tb-V, expected K2RbTbMgV2O18 to be K2RbTbMgV2O8" +mp-2232388,K2RbTbMgV2O8,-6.8881448007,-2.4096581376,0.2912714525,0.2912714525,GGA+U,P3m1,A2BC8DEF2_hP15_156_ab_c_ab2d_c_c_ab:K-Mg-O-Rb-Tb-V,15.0,A2BC8DEF2_hP15_156_ab_c_ab2d_c_c_ab:K-Mg-O-Rb-Tb-V +mp-1111871,K2NaTiF6,-5.604618642,-3.3138497411,0.0,-0.012909962,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ti,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Ti +mp-42190,K2NaTiOF5,-5.920756867,-3.3264669917,0.0,-0.0029695083,GGA,I4mm,A5B2CDE_tI20_107_ac_b_a_a_a:F-K-Na-O-Ti,10.0,A5B2CDE_tI20_107_ac_b_a_a_a:F-K-Na-O-Ti +mp-2227211,K2NaMgTiOF5,-5.3173813918,-2.8134560461,0.4002229536,0.4002229536,GGA,Cm,A5B2CDEF_mC22_8_3ab_b_a_a_a_a:F-K-Mg-Na-O-Ti,11.0,A5B2CDEF_mC22_8_3ab_b_a_a_a_a:F-K-Mg-Na-O-Ti +mp-2240162,K2NaMgTiOF5,-5.3723034682,-2.8683781225,0.3453008773,0.3453008773,GGA,Cm,A5B2CDEF_mC22_8_a2b_2a_a_a_a_a:F-K-Mg-Na-O-Ti,11.0,A5B2CDEF_mC22_8_a2b_2a_a_a_a_a:F-K-Mg-Na-O-Ti +mp-2240085,K2NaMgTiOF5,-5.2934480764,-2.7895227306,0.4241562691,0.4241562691,GGA,Imm2,A5B2CDEF_oI22_44_ae_2b_b_a_a_a:F-K-Mg-Na-O-Ti,11.0,A5B2CDEF_oI22_44_ae_2b_b_a_a_a:F-K-Mg-Na-O-Ti +mp-1111003,KNa2TiF6,-5.407040466,-3.0950589304,0.193613519,0.193613519,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ti,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Ti +mp-1173615,NaMgTi3O7F,-8.0801857442,-3.2226794873,0.1484126204,0.1484126204,GGA,Pmc2_1,ABCD7E3_oP26_26_b_a_a_4a3b_a2b:F-Mg-Na-O-Ti,26.0,"Invalid WP multiplicities - ABCD7E3_oP26_26_b_a_a_8a5b_a3b:F-Mg-Na-O-Ti, expected NaMgTi4O13F to be NaMgTi3O7F" +mp-2218980,K2Na2MgTi2O6,-6.3701613677,-2.3749886883,0.2527047023,0.2527047023,GGA,P-1,A2BC2D6E2_aP13_2_i_a_i_3i_i:K-Mg-Na-O-Ti,13.0,"Invalid WP multiplicities - A2BC2D6E2_aP13_2_i_a_i_4i_i:K-Mg-Na-O-Ti, expected K2Na2MgTi2O8 to be K2Na2MgTi2O6" +mp-2218987,K2Na2MgTi2O6,-6.3218548262,-2.3266821468,0.3010112439,0.3010112439,GGA,Amm2,A2BC2D6E2_oC26_38_ab_a_ab_abf_ab:K-Mg-Na-O-Ti,13.0,A2BC2D6E2_oC26_38_ab_a_ab_abf_ab:K-Mg-Na-O-Ti +mp-1199019,AgSbS(OF3)2,-5.0950917868,-2.1441592107,0.0,-0.00502483,GGA,P2_1/c,AB6C2DE_mP44_14_e_6e_2e_e_e:Ag-F-O-S-Sb,44.0,AB6C2DE_mP44_14_e_6e_2e_e_e:Ag-F-O-S-Sb +mp-1201018,Ag3S4(O3F)4,-5.6431191779,-1.6409605743,0.0,-0.0076757667,GGA,P2_1/c,A3B4C12D4_mP92_14_3e_4e_12e_4e:Ag-F-O-S,92.0,A3B4C12D4_mP92_14_3e_4e_12e_4e:Ag-F-O-S +mp-559602,AgSb(S8F3)2,-4.6674939040000005,-1.1419260324,0.0,-0.1508211099,GGA,C2/c,AB6C16D_mC96_15_e_3f_8f_a:Ag-F-S-Sb,48.0,"Invalid WP multiplicities - AB6C16D_mC96_15_e_11f_27f_c:Ag-F-S-Sb, expected AgSb(S27F11)2 to be AgSb(S8F3)2" +mp-1199607,Ag4TeSO4,-4.8114716125,-0.9717981506,0.0,-0.0143572408,GGA,P2_13,A4B4CD_cP40_198_ab_ab_a_a:Ag-O-S-Te,40.0,A4B4CD_cP40_198_ab_ab_a_a:Ag-O-S-Te +mp-555028,AgSbTe6S16(OF5)6,-4.7421566615,-1.7583384654,0.1353980576,0.1353980576,GGA,P-1,AB30C6D16EF6_aP60_2_b_15i_3i_8i_e_3i:Ag-F-O-S-Sb-Te,60.0,"Invalid WP multiplicities - AB30C6D16EF6_aP60_2_b_29i_6i_15i_e_6i:Ag-F-O-S-Sb-Te, expected AgSbTe12S30(O6F29)2 to be AgSbTe6S16(OF5)6" +mp-1229086,AgSO3F,-5.547679475,-1.5942543131,0.0,-0.021667096,GGA,P2_1,ABC3D_mP24_4_2a_2a_6a_2a:Ag-F-O-S,24.0,ABC3D_mP24_4_2a_2a_6a_2a:Ag-F-O-S +mp-1202574,AgS2(O3F)2,-5.7311858870000005,-1.6758635289,0.0,-0.0266526665,GGA,P2_1/c,AB2C6D2_mP44_14_ad_2e_6e_2e:Ag-F-O-S,44.0,AB2C6D2_mP44_14_ad_2e_6e_2e:Ag-F-O-S +mp-2716441,NaMgGe3P3(SO8)3,-6.9120362418,-2.2217026676,0.0489976763,0.0489976763,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ge-Mg-Na-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:Ge-Mg-Na-O-P-S +mp-2713173,Na4Mg3GeP2(SO6)4,-6.6076335733,-2.3758729752,0.0481589289,0.0481589289,GGA,P1,AB3C4D24E2F4_aP114_1_3a_9a_12a_72a_6a_12a:Ge-Mg-Na-O-P-S,114.0,AB3C4D24E2F4_aP114_1_3a_9a_12a_72a_6a_12a:Ge-Mg-Na-O-P-S +mp-2714377,NaMgGeP(SO6)2,-6.7163502043,-2.2390002057,0.0573807406,0.0573807406,GGA,Cc,ABCD12EF2_mC216_9_3a_3a_3a_36a_3a_6a:Ge-Mg-Na-O-P-S,108.0,"Invalid WP multiplicities - ABCD12EF2_mC216_9_3a_3a_3a_60a_3a_9a:Ge-Mg-Na-O-P-S, expected NaMgGePS3O20 to be NaMgGeP(SO6)2" +mp-2716100,Na7Mg3GeP5SO24,-6.7317413535,-2.6194233894,0.0386858349,0.0386858349,GGA,P1,AB3C7D24E5F_aP123_1_3a_9a_21a_72a_15a_3a:Ge-Mg-Na-O-P-S,123.0,AB3C7D24E5F_aP123_1_3a_9a_21a_72a_15a_3a:Ge-Mg-Na-O-P-S +mp-2714216,NaMg2Ge2PS5O24,-6.6609555139,-2.1299491706,0.0444588089,0.0444588089,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ge-Mg-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Ge-Mg-Na-O-P-S +mp-2715032,Na5Mg2Ge2P5SO24,-6.8547097009,-2.521819092,0.0607074485,0.0607074485,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-Mg-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Ge-Mg-Na-O-P-S +mp-2714720,Na5Mg3GeP3(SO8)3,-6.6523970454,-2.462492413,0.0542865204,0.0542865204,GGA,P1,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-Mg-Na-O-P-S,117.0,AB3C5D24E3F3_aP117_1_3a_9a_15a_72a_9a_9a:Ge-Mg-Na-O-P-S +mp-2716027,Na3MgGe3P5SO24,-7.0215141455,-2.4442052005,0.0485461513,0.0485461513,GGA,P1,A3BC3D24E5F_aP111_1_9a_3a_9a_72a_15a_3a:Ge-Mg-Na-O-P-S,111.0,A3BC3D24E5F_aP111_1_9a_3a_9a_72a_15a_3a:Ge-Mg-Na-O-P-S +mp-2712676,Na2MgGe3P4(SO12)2,-6.9799807562,-2.3477292831,0.0407757283,0.0407757283,GGA,P1,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Ge-Mg-Na-O-P-S,108.0,A3BC2D24E4F2_aP108_1_9a_3a_6a_72a_12a_6a:Ge-Mg-Na-O-P-S +mp-2712962,MgGe3P2(SO6)4,-6.8316664057,-2.0798341361,0.0216353052,0.0216353052,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Ge-Mg-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:Ge-Mg-O-P-S +mp-2713737,Na3Mg2Ge2P3(SO8)3,-6.7926516341,-2.3660576373,0.0430087498,0.0430087498,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ge-Mg-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Ge-Mg-Na-O-P-S +mp-2712793,Na6Mg3GeP4(SO12)2,-6.6928429808,-2.5427015159,0.048115058,0.048115058,GGA,P1,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ge-Mg-Na-O-P-S,120.0,AB3C6D24E4F2_aP120_1_3a_9a_18a_72a_12a_6a:Ge-Mg-Na-O-P-S +mp-2713281,Na3Mg3GePS5O24,-6.5659854114,-2.2901063628,0.0297600681,0.0297600681,GGA,P1,AB3C3D24EF5_aP111_1_3a_9a_9a_72a_3a_15a:Ge-Mg-Na-O-P-S,111.0,AB3C3D24EF5_aP111_1_3a_9a_9a_72a_3a_15a:Ge-Mg-Na-O-P-S +mp-2713620,Na2MgGeP2SO12,-6.8089614988000005,-2.4304521352,0.0746291598,0.0746291598,GGA,Cc,ABC2D12E2F_mC76_9_a_a_2a_12a_2a_a:Ge-Mg-Na-O-P-S,114.0,"Invalid WP multiplicities - ABC2D12E2F_mC76_9_a_a_2a_60a_7a_a:Ge-Mg-Na-O-P-S, expected Na2MgGeP7SO60 to be Na2MgGeP2SO12" +mp-1246323,NbSeN,-8.17832742,-0.8670902724,0.187376035,0.187376035,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Nb-Se,6.0,ABC_tP6_129_a_c_c:N-Nb-Se +mp-560589,NbSe2SN2ClF6,-5.7063678181,-1.7663694968,0.1036981565,0.1036981565,GGA,P2_1/c,AB6C2DEF2_mP52_14_e_6e_2e_e_e_2e:Cl-F-N-Nb-S-Se,52.0,"Invalid WP multiplicities - AB6C2DEF2_mP52_14_e_23e_6e_e_e_5e:Cl-F-N-Nb-S-Se, expected NbSe5SN6ClF23 to be NbSe2SN2ClF6" +mp-608398,NbSNCl6,-4.9143528611,-1.1737451065,0.0935377419,0.0935377419,GGA,P-1,A6BCD_aP36_2_12i_2i_2i_2i:Cl-N-Nb-S,36.0,"Invalid WP multiplicities - A6BCD_aP36_2_24i_2i_3i_4i:Cl-N-Nb-S, expected Nb3S4(NCl12)2 to be NbSNCl6" +mp-649253,NbClF8,-5.1246142385,-2.4004468945,0.0,-0.0013670604,GGA,Pcca,AB8C_oP40_54_d_4f_c:Cl-F-Nb,40.0,"Invalid WP multiplicities - AB8C_oP40_54_d_25f_c:Cl-F-Nb, expected NbClF50 to be NbClF8" +mp-707060,NbCl4F,-5.3195546171,-2.0850661758,0.0,-0.0192583515,GGA,P-1,A4BC_aP24_2_8i_2i_2i:Cl-F-Nb,24.0,A4BC_aP24_2_8i_2i_2i:Cl-F-Nb +mp-1246457,NbSN,-8.5000350417,-0.9752850977,0.1420034303,0.1420034303,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Nb-S,6.0,ABC_tP6_129_a_c_c:N-Nb-S +mp-2712947,GaSnP(SO6)2,-6.7906392526,-2.0798078025,0.0238217359,0.0238217359,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ga-O-P-S-Sn,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ga-O-P-S-Sn, expected GaSnPS3O20 to be GaSnP(SO6)2" +mp-2712699,NaGaSnP2SO12,-6.9373199736,-2.3437914966,0.0343042754,0.0343042754,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ga-Na-O-P-S-Sn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Ga-Na-O-P-S-Sn, expected NaGaSnP7SO60 to be NaGaSnP2SO12" +mp-2716358,NaGa2Sn2P3(SO8)3,-6.86510178,-2.2145975732,0.0329331856,0.0329331856,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Sn,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ga-Na-O-P-S-Sn +mp-2716085,Na3Ga2Sn2P5SO24,-6.9839583616,-2.4443258453,0.0466002228,0.0466002228,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Sn,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ga-Na-O-P-S-Sn +mp-2714410,Na3YTiSi2SO12,-7.5033999727,-2.8695554991,0.1027885825,0.1027885825,GGA,Cc,A3B12CD2EF_mC80_9_3a_12a_a_2a_a_a:Na-O-S-Si-Ti-Y,120.0,"Invalid WP multiplicities - A3B12CD2EF_mC80_9_13a_72a_a_7a_a_a:Na-O-S-Si-Ti-Y, expected Na13YTiSi7SO72 to be Na3YTiSi2SO12" +mp-2714843,Na14Y4Ti4Si9(SO16)3,-7.479427972,-2.9106294764,0.080287829,0.080287829,GGA,P1,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Ti-Y,246.0,A14B48C3D9E4F4_aP246_1_42a_144a_9a_27a_12a_12a:Na-O-S-Si-Ti-Y +mp-2715888,Na10Y4Ti4Si7S5O48,-7.5232263192,-2.8210001764,0.125100264,0.125100264,GGA,P1,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Y,234.0,A10B48C5D7E4F4_aP234_1_30a_144a_15a_21a_12a_12a:Na-O-S-Si-Ti-Y +mp-2716166,Na8Y2Ti2Si5SO24,-7.4473222247,-2.9404722796,0.0674190691,0.0674190691,GGA,P1,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Ti-Y,126.0,A8B24CD5E2F2_aP126_1_24a_72a_3a_15a_6a_6a:Na-O-S-Si-Ti-Y +mp-2713411,Na5Y3TiSi3(SO8)3,-7.4595993028,-2.8105386724,0.1115026624,0.1115026624,GGA,P1,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-S-Si-Ti-Y,117.0,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-S-Si-Ti-Y +mp-2715901,Na6Y4Ti4Si5S7O48,-7.619152620699999,-2.7690742202000003,0.0894022854,0.0894022854,GGA,P1,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Y,222.0,A6B48C7D5E4F4_aP222_1_18a_144a_21a_15a_12a_12a:Na-O-S-Si-Ti-Y +mp-2712567,NaYTiSi(SO6)2,-7.6293565394,-2.6991914992,0.1118220417,0.1118220417,GGA,Cc,AB12C2DEF_mC216_9_3a_36a_6a_3a_3a_3a:Na-O-S-Si-Ti-Y,108.0,"Invalid WP multiplicities - AB12C2DEF_mC216_9_3a_60a_9a_3a_3a_3a:Na-O-S-Si-Ti-Y, expected NaYTiSiS3O20 to be NaYTiSi(SO6)2" +mp-2714839,Na3YTi3Si3(SO8)3,-7.6917658446,-2.7856481202000003,0.0981879832,0.0981879832,GGA,P1,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-S-Si-Ti-Y,111.0,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-S-Si-Ti-Y +mp-2713019,Y2Ti2SiS5O24,-7.7215300355,-2.6170587798,0.0446259562,0.0446259562,GGA,P1,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Ti-Y,102.0,A24B5CD2E2_aP102_1_72a_15a_3a_6a_6a:O-S-Si-Ti-Y +mp-2716308,Na2Y4Ti4Si3(S3O16)3,-7.6787438375,-2.6639157784,0.0745666287,0.0745666287,GGA,P1,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Ti-Y,210.0,A2B48C9D3E4F4_aP210_1_6a_144a_27a_9a_12a_12a:Na-O-S-Si-Ti-Y +mp-2713560,Na4Y2Ti2Si3(SO8)3,-7.5586809959,-2.7844741487,0.1189672709,0.1189672709,GGA,P1,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Y,114.0,A4B24C3D3E2F2_aP114_1_12a_72a_9a_9a_6a_6a:Na-O-S-Si-Ti-Y +mp-2715844,Na6Y4Hf4Si5S7O48,-7.8250121245,-2.8634906422,0.0825931947,0.0825931947,GGA,P1,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Hf-Na-O-S-Si-Y,222.0,A4B6C48D7E5F4_aP222_1_12a_18a_144a_21a_15a_12a:Hf-Na-O-S-Si-Y +mp-2714281,NaYHfSi(SO6)2,-7.8589092396,-2.8142054765,0.0871833603,0.0871833603,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Hf-Na-O-S-Si-Y,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Hf-Na-O-S-Si-Y, expected NaYHfSiS3O20 to be NaYHfSi(SO6)2" +mp-16919,Y2HfS5,-7.6347251172,-2.1881775433,0.0139810622,0.0139810622,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Hf-S-Y,32.0,AB5C2_oP32_62_c_3cd_d:Hf-S-Y +mp-2713162,Na5Y3HfSi3(SO8)3,-7.5574873637,-2.8555627073,0.1069554929,0.1069554929,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-S-Si-Y,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-S-Si-Y +mp-2716323,Na2Y4Hf4Si3(S3O16)3,-7.9042326592,-2.7715933422,0.0596958337,0.0596958337,GGA,P1,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Hf-Na-O-S-Si-Y,210.0,A4B2C48D9E3F4_aP210_1_12a_6a_144a_27a_9a_12a:Hf-Na-O-S-Si-Y +mp-2714719,Na3YHf3Si3(SO8)3,-8.0021409061,-2.928858559,0.0868766249,0.0868766249,GGA,P1,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Hf-Na-O-S-Si-Y,111.0,A3B3C24D3E3F_aP111_1_9a_9a_72a_9a_9a_3a:Hf-Na-O-S-Si-Y +mp-2713021,Y2Hf2SiS5O24,-7.9641253954,-2.7383778448,0.0186881608,0.0186881608,GGA,P1,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Hf-O-S-Si-Y,102.0,A2B24C5DE2_aP102_1_6a_72a_15a_3a_6a:Hf-O-S-Si-Y +mp-2715760,Na8Y2Hf2Si5SO24,-7.6319925326,-3.0269665393,0.0544339175,0.0544339175,GGA,P1,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Hf-Na-O-S-Si-Y,126.0,A2B8C24DE5F2_aP126_1_6a_24a_72a_3a_15a_6a:Hf-Na-O-S-Si-Y +mp-2714540,Na3YHfSi2SO12,-7.6961659175,-2.9592365932,0.0886409907,0.0886409907,GGA,Cc,AB3C12DE2F_mC80_9_a_3a_12a_a_2a_a:Hf-Na-O-S-Si-Y,120.0,"Invalid WP multiplicities - AB3C12DE2F_mC80_9_a_13a_72a_a_7a_a:Hf-Na-O-S-Si-Y, expected Na13YHfSi7SO72 to be Na3YHfSi2SO12" +mp-2714865,Na14Y4Hf4Si9(SO16)3,-7.6689032296,-2.999534148,0.0659034098,0.0659034098,GGA,P1,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Hf-Na-O-S-Si-Y,246.0,A4B14C48D3E9F4_aP246_1_12a_42a_144a_9a_27a_12a:Hf-Na-O-S-Si-Y +mp-2716090,Na10Y4Hf4Si7S5O48,-7.727877151599999,-2.9199229568,0.1086747264,0.1086747264,GGA,P1,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Hf-Na-O-S-Si-Y,234.0,A4B10C48D5E7F4_aP234_1_12a_30a_144a_15a_21a_12a:Hf-Na-O-S-Si-Y +mp-2713558,Na4Y2Hf2Si3(SO8)3,-7.7669949996,-2.8842777833,0.1041486853,0.1041486853,GGA,P1,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Hf-Na-O-S-Si-Y,114.0,A2B4C24D3E3F2_aP114_1_6a_12a_72a_9a_9a_6a:Hf-Na-O-S-Si-Y +mp-756691,Li6CoNiP2(CO7)2,-7.022700679,-2.2965633855,0.0381721563,0.0381721563,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Co-Li-Ni-O-P,52.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Co-Li-Ni-O-P +mp-766547,Li12CoNi3P4(CO7)4,-6.9735753567,-2.2729800078,0.0601685406,0.0601685406,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Co-Li-Ni-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Co-Li-Ni-O-P +mp-766567,Li12Co3NiP4(CO7)4,-7.0438227458,-2.2921435078,0.0441790277,0.0441790277,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Co-Li-Ni-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Co-Li-Ni-O-P +mp-2713497,ZrGeP2SO12,-7.7208360287,-2.5741273287,0.0224120567,0.0224120567,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Zr,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Zr +mp-2716181,NaZr2Ge2P5SO24,-7.7608786986,-2.6869508776,0.0352787184,0.0352787184,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Zr,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Zr +mp-2716157,NaSn2Ge2P5SO24,-7.1717770566,-2.3571708799,0.0335911846,0.0335911846,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Sn,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ge-Na-O-P-S-Sn +mp-2713462,SnGeP2SO12,-7.0997352657,-2.2199753171,0.0254659623,0.0254659623,GGA,P1,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Sn,102.0,AB12C2DE_aP102_1_6a_72a_12a_6a_6a:Ge-O-P-S-Sn +mp-1217853,SrZrCdH8(C4O11)2,-6.954136482,-1.5649079992,0.2815592502,0.2815592502,GGA,C2,A8BC8D22EF_mC82_5_4c_a_4c_2b10c_a_b:C-Cd-H-O-Sr-Zr,41.0,"Invalid WP multiplicities - A8BC8D22EF_mC82_5_8c_a_6c_2b19c_a_b:C-Cd-H-O-Sr-Zr, expected SrZrCdH12(C2O5)8 to be SrZrCdH8(C4O11)2" +mp-1203397,ZrCdH10C6O17,-6.8392944904,-1.6146215793,0.0448324647,0.0448324647,GGA,P2_1/c,A6BC10D17E_mP140_14_6e_e_10e_17e_e:C-Cd-H-O-Zr,140.0,A6BC10D17E_mP140_14_6e_e_10e_17e_e:C-Cd-H-O-Zr +mp-2715967,Na3NbIn3P5SO24,-7.1771369668,-2.5218011944,0.0217765763,0.0217765763,GGA,P1,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:In-Na-Nb-O-P-S,111.0,A3B3CD24E5F_aP111_1_9a_9a_3a_72a_15a_3a:In-Na-Nb-O-P-S +mp-2712877,NbIn3P2(SO6)4,-7.0297231368,-2.1929793197,0.0233781739,0.0233781739,GGA,P1,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:In-Nb-O-P-S,102.0,A3BC24D2E4_aP102_1_9a_3a_72a_6a_12a:In-Nb-O-P-S +mp-2713354,NbInP2SO12,-7.6054984648,-2.4774803363,0.0276481425,0.0276481425,GGA,Cc,ABC12D2E_mC68_9_a_a_12a_2a_a:In-Nb-O-P-S,102.0,"Invalid WP multiplicities - ABC12D2E_mC68_9_a_a_60a_7a_a:In-Nb-O-P-S, expected NbInP7SO60 to be NbInP2SO12" +mp-2716277,NaNb2In2P5SO24,-7.660160305,-2.6043890392,0.0111211551,0.0111211551,GGA,P1,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:In-Na-Nb-O-P-S,105.0,A2BC2D24E5F_aP105_1_6a_3a_6a_72a_15a_3a:In-Na-Nb-O-P-S +mp-2716429,NaNbIn3P3(SO8)3,-7.0886770502,-2.3158579726,0.0188270865,0.0188270865,GGA,P1,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:In-Na-Nb-O-P-S,105.0,A3BCD24E3F3_aP105_1_9a_3a_3a_72a_9a_9a:In-Na-Nb-O-P-S +mp-2712756,Na2NbIn3P4(SO12)2,-7.1411824378,-2.4287367254,0.0132959772,0.0132959772,GGA,P1,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:In-Na-Nb-O-P-S,108.0,A3B2CD24E4F2_aP108_1_9a_6a_3a_72a_12a_6a:In-Na-Nb-O-P-S +mp-542264,BaNaCe2C4O12F,-8.0977188593,-2.7027624776,0.0,-0.0017234413,GGA,P6_3/mmc,AB4C2DEF12_hP42_194_a_ef_f_c_d_2k:Ba-C-Ce-F-Na-O,42.0,AB4C2DEF12_hP42_194_a_ef_f_c_d_2k:Ba-C-Ce-F-Na-O +mp-556236,Na3Ce2C4O12F,-7.7184271936,-2.5356926635,0.0075581373,0.0075581373,GGA,P6_3/mmc,A4B2CD3E12_hP44_194_ef_f_c_bf_2k:C-Ce-F-Na-O,44.0,"Invalid WP multiplicities - A4B2CD3E12_hP44_194_3e3f_f_c_bf_10k:C-Ce-F-Na-O, expected Na3Ce2C12O60F to be Na3Ce2C4O12F" +mp-6850,Ba2CeC3O9F,-8.0632549647,-2.8202104096,0.0,-0.0008436831,GGA,P2_1/m,A2B3CDE9_mP32_11_2e_3e_e_e_3e3f:Ba-C-Ce-F-O,32.0,"Invalid WP multiplicities - A2B3CDE9_mP32_11_4e_4e_e_e_6e12f:Ba-C-Ce-F-O, expected Ba4CeC4O30F to be Ba2CeC3O9F" +mp-559451,BaCeC2O6F,-8.1307043873,-2.8669765405,0.0134393239,0.0134393239,GGA,P-3c1,AB2CDE6_hP66_165_bd_g_f_ad_3g:Ba-C-Ce-F-O,66.0,"Invalid WP multiplicities - AB2CDE6_hP66_165_2b2d_g_f_ad_23g:Ba-C-Ce-F-O, expected Ba2CeC2O46F to be BaCeC2O6F" +mp-649933,BaCeC2O6F,-7.8705563327,-2.6068284859,0.2735873785,0.2735873785,GGA,R-3m,AB2CDE6_hR66_166_ab_2c_c_c_2h:Ba-C-Ce-F-O,22.0,"Invalid WP multiplicities - AB2CDE6_hR66_166_ab_3c_c_c_8h:Ba-C-Ce-F-O, expected BaCeC3O24F to be BaCeC2O6F" +mp-541482,BaCeC2O6F,-8.141890305,-2.8781624582000003,0.0022534062,0.0022534062,GGA,R-3m,AB2CDE6_hR66_166_ab_2c_c_c_2h:Ba-C-Ce-F-O,22.0,AB2CDE6_hR66_166_ab_2c_c_c_2h:Ba-C-Ce-F-O +mp-667381,Ba3Ce2C5O15F2,-8.0679426465,-2.8164715651,0.0282669927,0.0282669927,GGA,P2,A3B5C2D2E15_mP108_3_abcd4e_10e_4e_4e_30e:Ba-C-Ce-F-O,108.0,"Invalid WP multiplicities - A3B5C2D2E15_mP108_3_abcd7e_18e_8e_8e_59e:Ba-C-Ce-F-O, expected Ba9Ce8C18O59F8 to be Ba3Ce2C5O15F2" +mp-617840,Ba3Ce2C5O15F2,-7.9852627822,-2.7337917009,0.110946857,0.110946857,GGA,Cm,A3B5C2D2E15_mC108_8_6a_10a_4a_4a_10a10b:Ba-C-Ce-F-O,54.0,"Invalid WP multiplicities - A3B5C2D2E15_mC108_8_6a_10a_4a_4a_10a20b:Ba-C-Ce-F-O, expected Ba3Ce2C5O25F2 to be Ba3Ce2C5O15F2" +mp-581090,Ba3Ce2C5O15F2,-8.0959045965,-2.8444335151,0.0003050427,0.0003050427,GGA,C2/m,A3B5C2D2E15_mC108_12_ad2i_5i_2i_2i_5i5j:Ba-C-Ce-F-O,54.0,"Invalid WP multiplicities - A3B5C2D2E15_mC108_12_ac4i_9i_2i_2i_10i19j:Ba-C-Ce-F-O, expected Ba5Ce2C9(O24F)2 to be Ba3Ce2C5O15F2" +mp-24142,MgAlH4O2F5,-5.6083674588,-2.6570188188,0.0092922535,0.0092922535,GGA,Imma,AB5C4DE2_oI52_74_c_ej_j_a_h:Al-F-H-Mg-O,26.0,"Invalid WP multiplicities - AB5C4DE2_oI52_74_c_e2j_j_a_h:Al-F-H-Mg-O, expected MgAlH4O2F9 to be MgAlH4O2F5" +mp-1233331,MgAl2H4Pb2(O2F3)2,-5.6320747411,-2.4034821789,0.1884424461,0.1884424461,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Mg-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Mg-O-Pb +mp-1234742,MgAl2H4Pb2(O2F3)2,-5.6262233411,-2.3976307789,0.1942938461,0.1942938461,GGA,P1,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Mg-O-Pb,19.0,A2B6C4DE4F2_aP19_1_2a_6a_4a_a_4a_2a:Al-F-H-Mg-O-Pb +mp-1234634,MgAl2H4Pb2(O2F3)2,-5.6432664658,-2.4146739037,0.1772507214,0.1772507214,GGA,P-1,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Mg-O-Pb,19.0,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Mg-O-Pb +mp-1234851,MgAl2H4Pb2(O2F3)2,-5.6185468674,-2.3899543053,0.2019703198,0.2019703198,GGA,P-1,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Mg-O-Pb,19.0,A2B6C4DE4F2_aP19_2_i_3i_2i_a_2i_i:Al-F-H-Mg-O-Pb +mp-1185742,Mg17Al11Pb,-2.4998461928,-0.0129930186,0.016918017,0.016918017,GGA,Cm,A11B17C_mC58_8_a5b_5a6b_a:Al-Mg-Pb,29.0,"Invalid WP multiplicities - A11B17C_mC58_8_a9b_5a11b_a:Al-Mg-Pb, expected Mg27Al19Pb to be Mg17Al11Pb" +mp-1185682,Mg16Al12Pb,-2.5717438231000003,-0.0109149324,0.0183042403,0.0183042403,GGA,Cm,A12B16C_mC58_8_2a5b_4a6b_a:Al-Mg-Pb,29.0,"Invalid WP multiplicities - A12B16C_mC58_8_2a9b_4a11b_a:Al-Mg-Pb, expected Mg26Al20Pb to be Mg16Al12Pb" +mp-1185678,Mg16Al12Pb,-2.5703500617,-0.009521171,0.0196980017,0.0196980017,GGA,R3m,A12B16C_hR87_160_2bc_a3bc_a:Al-Mg-Pb,29.0,"Invalid WP multiplicities - A12B16C_hR87_160_6b5c_a9b5c_a:Al-Mg-Pb, expected Mg58Al48Pb to be Mg16Al12Pb" +mp-1185677,Mg16Al12Pb,-2.5603538538,0.0004750369,0.0296942097,0.0296942097,GGA,I-43m,A12B16C_cI58_217_g_cg_a:Al-Mg-Pb,29.0,"Invalid WP multiplicities - A12B16C_cI58_217_g_3c4g_a:Al-Mg-Pb, expected Mg60Al12Pb to be Mg16Al12Pb" +mp-2715112,Na4YTa3Si5SO24,-8.2194694439,-3.0270095949,0.0650995732,0.0650995732,GGA,P1,A4B24CD5E3F_aP114_1_12a_72a_3a_15a_9a_3a:Na-O-S-Si-Ta-Y,114.0,A4B24CD5E3F_aP114_1_12a_72a_3a_15a_9a_3a:Na-O-S-Si-Ta-Y +mp-2713865,YTa3Si3(SO8)3,-8.3873380503,-2.8154075572,0.0593325296,0.0593325296,GGA,P1,A24B3C3D3E_aP102_1_72a_9a_9a_9a_3a:O-S-Si-Ta-Y,102.0,A24B3C3D3E_aP102_1_72a_9a_9a_9a_3a:O-S-Si-Ta-Y +mp-2712647,Na2YTaSi2SO12,-7.8851611435,-2.868495365,0.1522210594,0.1522210594,GGA,Cc,A2B12CD2EF_mC76_9_2a_12a_a_2a_a_a:Na-O-S-Si-Ta-Y,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC76_9_2a_72a_a_12a_a_a:Na-O-S-Si-Ta-Y, expected Na2YTaSi12SO72 to be Na2YTaSi2SO12" +mp-2714533,Na6Y3TaSi4(SO12)2,-7.6013308858,-2.9041547944,0.0990829043,0.0990829043,GGA,P1,A6B24C2D4EF3_aP120_1_18a_72a_6a_12a_3a_9a:Na-O-S-Si-Ta-Y,120.0,A6B24C2D4EF3_aP120_1_18a_72a_6a_12a_3a_9a:Na-O-S-Si-Ta-Y +mp-2712689,Na2Y3TaSi2(SO6)4,-7.7646456821,-2.7641121778,0.0827324735,0.0827324735,GGA,P1,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-S-Si-Ta-Y,108.0,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-S-Si-Ta-Y +mp-2714764,Na14Y6Ta2Si9(SO16)3,-7.5623500665,-2.9317646268,0.0883877617,0.0883877617,GGA,P1,A14B48C3D9E2F6_aP246_1_42a_144a_9a_27a_6a_18a:Na-O-S-Si-Ta-Y,246.0,A14B48C3D9E2F6_aP246_1_42a_144a_9a_27a_6a_18a:Na-O-S-Si-Ta-Y +mp-2714110,Na10Y4Ta4Si9(SO16)3,-7.8656724036,-2.9272042252,0.1215332469,0.1215332469,GGA,P1,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Y,234.0,A10B48C3D9E4F4_aP234_1_30a_144a_9a_27a_12a_12a:Na-O-S-Si-Ta-Y +mp-2716459,Na2Y6Ta2Si3(S3O16)3,-7.8140550259,-2.7268479751,0.0673111686,0.0673111686,GGA,P1,A2B48C9D3E2F6_aP210_1_6a_144a_27a_9a_6a_18a:Na-O-S-Si-Ta-Y,210.0,A2B48C9D3E2F6_aP210_1_6a_144a_27a_9a_6a_18a:Na-O-S-Si-Ta-Y +mp-2716406,Na10Y7TaSi6(SO8)6,-7.529458398,-2.8479200149,0.0906587555,0.0906587555,GGA,P1,A10B48C6D6EF7_aP234_1_30a_144a_18a_18a_3a_21a:Na-O-S-Si-Ta-Y,234.0,A10B48C6D6EF7_aP234_1_30a_144a_18a_18a_3a_21a:Na-O-S-Si-Ta-Y +mp-2713409,YTaSi(SO6)2,-8.07751196,-2.7020571928,0.0986086569,0.0986086569,GGA,Cc,A12B2CDE_mC204_9_36a_6a_3a_3a_3a:O-S-Si-Ta-Y,102.0,"Invalid WP multiplicities - A12B2CDE_mC204_9_60a_9a_3a_3a_3a:O-S-Si-Ta-Y, expected YTaSiS3O20 to be YTaSi(SO6)2" +mp-2713410,Na2Y2Ta2Si3(SO8)3,-7.9766753688,-2.7905814567,0.1373504679,0.1373504679,GGA,P1,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Ta-Y,108.0,A2B24C3D3E2F2_aP108_1_6a_72a_9a_9a_6a_6a:Na-O-S-Si-Ta-Y +mp-2715960,Na6Y6Ta2Si5S7O48,-7.7001878114,-2.7816427971,0.1116964105,0.1116964105,GGA,P1,A6B48C7D5E2F6_aP222_1_18a_144a_21a_15a_6a_18a:Na-O-S-Si-Ta-Y,222.0,A6B48C7D5E2F6_aP222_1_18a_144a_21a_15a_6a_18a:Na-O-S-Si-Ta-Y +mp-2713508,Na10YTa7(SiO4)12,-8.3226518122,-3.1272538384,0.0204068533,0.0204068533,GGA,P1,A10B48C12D7E_aP234_1_30a_144a_36a_21a_3a:Na-O-Si-Ta-Y,234.0,A10B48C12D7E_aP234_1_30a_144a_36a_21a_3a:Na-O-Si-Ta-Y +mp-2716130,Na2Y4Ta4Si5S7O48,-8.0499457696,-2.771876585,0.1052289086,0.1052289086,GGA,P1,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Ta-Y,210.0,A2B48C7D5E4F4_aP210_1_6a_144a_21a_15a_12a_12a:Na-O-S-Si-Ta-Y +mp-2715609,Na2YTa3Si4(SO12)2,-8.3094365447,-2.9377822249000003,0.0707919845,0.0707919845,GGA,P1,A2B24C2D4E3F_aP108_1_6a_72a_6a_12a_9a_3a:Na-O-S-Si-Ta-Y,108.0,A2B24C2D4E3F_aP108_1_6a_72a_6a_12a_9a_3a:Na-O-S-Si-Ta-Y +mp-2713097,Na6Y2Ta6Si9(SO16)3,-8.2574293889,-2.9777938513,0.0766798932,0.0766798932,GGA,P1,A6B48C3D9E6F2_aP222_1_18a_144a_9a_27a_18a_6a:Na-O-S-Si-Ta-Y,222.0,A6B48C3D9E6F2_aP222_1_18a_144a_9a_27a_18a_6a:Na-O-S-Si-Ta-Y +mp-2716575,Na10Y2Ta6Si11SO48,-8.1712072745,-3.0614525658,0.0532337194,0.0532337194,GGA,P1,A10B48CD11E6F2_aP234_1_30a_144a_3a_33a_18a_6a:Na-O-S-Si-Ta-Y,234.0,A10B48CD11E6F2_aP234_1_30a_144a_3a_33a_18a_6a:Na-O-S-Si-Ta-Y +mp-2712948,Na6Y4Ta4Si7S5O48,-7.9866835419,-2.887593266,0.0879847531,0.0879847531,GGA,P1,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Y,222.0,A6B48C5D7E4F4_aP222_1_18a_144a_15a_21a_12a_12a:Na-O-S-Si-Ta-Y +mp-2714749,Na6Y5Ta3Si6(SO8)6,-7.8361335417,-2.8273158966,0.1088142599,0.1088142599,GGA,P1,A6B48C6D6E3F5_aP222_1_18a_144a_18a_18a_9a_15a:Na-O-S-Si-Ta-Y,222.0,A6B48C6D6E3F5_aP222_1_18a_144a_18a_18a_9a_15a:Na-O-S-Si-Ta-Y +mp-2713835,Na6Y2Ta2Si5SO24,-7.8544623572,-2.9902818988,0.0776427169,0.0776427169,GGA,P1,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Y,120.0,A6B24CD5E2F2_aP120_1_18a_72a_3a_15a_6a_6a:Na-O-S-Si-Ta-Y +mp-2712893,Y3TaSiS5O24,-7.8501130279,-2.6711339866,0.055457626,0.055457626,GGA,P1,A24B5CDE3_aP102_1_72a_15a_3a_3a_9a:O-S-Si-Ta-Y,102.0,A24B5CDE3_aP102_1_72a_15a_3a_3a_9a:O-S-Si-Ta-Y +mp-2715822,Na10Y6Ta2Si7S5O48,-7.6379227211,-2.8707410729,0.1084342387,0.1084342387,GGA,P1,A10B48C5D7E2F6_aP234_1_30a_144a_15a_21a_6a_18a:Na-O-S-Si-Ta-Y,234.0,A10B48C5D7E2F6_aP234_1_30a_144a_15a_21a_6a_18a:Na-O-S-Si-Ta-Y +mp-2713027,Na14Y3Ta5(SiO4)12,-7.9409597073,-3.0659776329,0.0489223405,0.0489223405,GGA,P1,A14B48C12D5E3_aP246_1_42a_144a_36a_15a_9a:Na-O-Si-Ta-Y,246.0,A14B48C12D5E3_aP246_1_42a_144a_36a_15a_9a:Na-O-Si-Ta-Y +mp-2715258,Na6YTa3(SiO4)6,-8.1304090383,-3.0992242129,0.0333873198,0.0333873198,GGA,P1,A6B24C6D3E_aP120_1_18a_72a_18a_9a_3a:Na-O-Si-Ta-Y,120.0,A6B24C6D3E_aP120_1_18a_72a_18a_9a_3a:Na-O-Si-Ta-Y +mp-2715275,Na6YTa3(SiO4)6,-8.1369296942,-3.1057448689,0.0268666638,0.0268666638,GGA,P1,A6B24C6D3E_aP40_1_6a_24a_6a_3a_a:Na-O-Si-Ta-Y,80.0,"Invalid WP multiplicities - A6B24C6D3E_aP40_1_12a_48a_12a_6a_a:Na-O-Si-Ta-Y, expected Na12YTa6(SiO4)12 to be Na6YTa3(SiO4)6" +mp-2716521,Na4YTa(SiO4)3,-7.7587122542,-3.0324947046,0.065537117,0.065537117,GGA,R3c,A4B12C3DE_hR126_161_ab_4b_b_a_a:Na-O-Si-Ta-Y,126.0,"Invalid WP multiplicities - A4B12C3DE_hR126_161_ab_12b_b_a_a:Na-O-Si-Ta-Y, expected Na4YTa(SiO12)3 to be Na4YTa(SiO4)3" +mp-2715605,Na2Y2Ta6Si7S5O48,-8.3563587148,-2.8874273965,0.0620335077,0.0620335077,GGA,P1,A2B48C5D7E6F2_aP210_1_6a_144a_15a_21a_18a_6a:Na-O-S-Si-Ta-Y,210.0,A2B48C5D7E6F2_aP210_1_6a_144a_15a_21a_18a_6a:Na-O-S-Si-Ta-Y +mp-2713943,Na2Y3Ta5Si6(SO8)6,-8.1996265161,-2.8261262647,0.0871569342,0.0871569342,GGA,P1,A2B48C6D6E5F3_aP210_1_6a_144a_18a_18a_15a_9a:Na-O-S-Si-Ta-Y,210.0,A2B48C6D6E5F3_aP210_1_6a_144a_18a_18a_15a_9a:Na-O-S-Si-Ta-Y +mp-2715634,Na8Y3TaSi5SO24,-7.5308689581,-2.9637031866,0.0725038913,0.0725038913,GGA,P1,A8B24CD5EF3_aP126_1_24a_72a_3a_15a_3a_9a:Na-O-S-Si-Ta-Y,126.0,A8B24CD5EF3_aP126_1_24a_72a_3a_15a_3a_9a:Na-O-S-Si-Ta-Y +mp-2714481,Na14Y4Ta4Si11SO48,-7.8267466862,-3.0332301567,0.050115223,0.050115223,GGA,P1,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Y,246.0,A14B48CD11E4F4_aP246_1_42a_144a_3a_33a_12a_12a:Na-O-S-Si-Ta-Y +mp-2713559,Na4Y3TaSi3(SO8)3,-7.6798377671,-2.8389660591,0.0984206229,0.0984206229,GGA,P1,A4B24C3D3EF3_aP114_1_12a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Y,114.0,A4B24C3D3EF3_aP114_1_12a_72a_9a_9a_3a_9a:Na-O-S-Si-Ta-Y +mp-1210323,NaAl5FeP4(H5O12)2,-6.9366145778,-2.4294717956,0.0072644461,0.0072644461,GGA+U,C2/c,A5BC10DE24F4_mC180_15_a2f_c_5f_e_12f_2f:Al-Fe-H-Na-O-P,90.0,A5BC10DE24F4_mC180_15_c2f_a_5f_e_12f_2f:Al-Fe-H-Na-O-P +mp-2713526,TaGaP2SO12,-7.8239626669,-2.5763630746,0.019695623,0.019695623,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:Ga-O-P-S-Ta,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:Ga-O-P-S-Ta, expected TaGaP7SO60 to be TaGaP2SO12" +mp-2712671,Na2TaGa3P4(SO12)2,-7.2772769627,-2.4930059873,0.0381832878,0.0381832878,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ga-Na-O-P-S-Ta,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ga-Na-O-P-S-Ta +mp-2715902,Na3TaGa3P5SO24,-7.3072198768,-2.5820000646,0.0433357974,0.0433357974,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Ga-Na-O-P-S-Ta,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Ga-Na-O-P-S-Ta +mp-2716188,NaTa2Ga2P5SO24,-7.8726686336,-2.7007325174,0.0196174898,0.0196174898,GGA,P1,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ga-Na-O-P-S-Ta,105.0,A2BC24D5EF2_aP105_1_6a_3a_72a_15a_3a_6a:Ga-Na-O-P-S-Ta +mp-2712931,TaGa3P2(SO6)4,-7.1600152711,-2.2472211755,0.0242583786,0.0242583786,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Ga-O-P-S-Ta,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Ga-O-P-S-Ta +mp-2716410,NaTaGa3P3(SO8)3,-7.2202123171,-2.3735158262,0.0315749188,0.0315749188,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ga-Na-O-P-S-Ta,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ga-Na-O-P-S-Ta +mp-605173,As3H9RhC3(BrO)3,-5.1555867325,-0.6527983193,0.1518306609,0.1518306609,GGA,P2_1/c,A3B3C3D9E3F_mP88_14_3e_3e_3e_9e_3e_e:As-Br-C-H-O-Rh,88.0,"Invalid WP multiplicities - A3B3C3D9E3F_mP88_14_12e_7e_10e_35e_8e_e:As-Br-C-H-O-Rh, expected As12H35RhC10Br7O8 to be As3H9RhC3(BrO)3" +mp-1229322,BaCoH2C3ClO8,-7.0440448081,-1.7364955798,0.1389468619,0.1389468619,GGA+U,C2/c,AB3CDE2F8_mC128_15_f_3f_f_f_2f_2e7f:Ba-C-Cl-Co-H-O,64.0,AB3CDE2F8_mC128_15_f_3f_f_f_2f_2e7f:Ba-C-Cl-Co-H-O +mp-572271,Cs3P7Pb2O21,-7.1838825102,-2.5813042756,0.0,-0.0068799067,GGA,P-1,A3B21C7D2_aP66_2_3i_21i_7i_2i:Cs-O-P-Pb,66.0,"Invalid WP multiplicities - A3B21C7D2_aP66_2_6i_40i_14i_2i:Cs-O-P-Pb, expected Cs3P7PbO20 to be Cs3P7Pb2O21" +mp-1203380,LiBP2Pb4O11,-7.0052711374,-2.3379509398,0.0050771168,0.0050771168,GGA,Pbca,ABC11D2E4_oP152_61_c_c_11c_2c_4c:B-Li-O-P-Pb,152.0,ABC11D2E4_oP152_61_c_c_11c_2c_4c:B-Li-O-P-Pb +mp-1019606,Cs2Li2B2P4O15,-7.3513445576,-2.758505569,0.0,-0.0234371269,GGA,P-1,A2B2C2D15E4_aP50_2_2i_2i_2i_15i_4i:B-Cs-Li-O-P,50.0,A2B2C2D15E4_aP50_2_2i_2i_2i_15i_4i:B-Cs-Li-O-P +mp-22694,LiPPbO4,-6.9058420293000005,-2.5027524167,0.0,-0.0074030383,GGA,Pna2_1,AB4CD_oP56_33_2a_8a_2a_2a:Li-O-P-Pb,56.0,AB4CD_oP56_33_2a_8a_2a_2a:Li-O-P-Pb +mp-1196318,Cs2Li3B3P6(PbO12)2,-7.3394982387,-2.6849635661,0.0,-0.0122372957,GGA,P2_13,A3B2C3D24E6F2_cP160_198_b_2a_b_8b_2b_2a:B-Cs-Li-O-P-Pb,160.0,A3B2C3D24E6F2_cP160_198_b_2a_b_8b_2b_2a:B-Cs-Li-O-P-Pb +mp-559627,LiP3PbO9,-7.3003627782,-2.5588145026,0.010240808,0.010240808,GGA,P-1,AB9C3D_aP28_2_i_9i_3i_i:Li-O-P-Pb,28.0,"Invalid WP multiplicities - AB9C3D_aP28_2_i_17i_6i_i:Li-O-P-Pb, expected LiP6PbO17 to be LiP3PbO9" +mp-1213711,Cs2Li14Pb3O14,-5.2028592921,-1.9026378362,0.0,-0.0128831414,GGA,Immm,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:Cs-Li-O-Pb,,A2B14C14D3_oI66_71_f_hlo_e2lm_ai:Cs-Li-O-Pb +mp-1235527,Cs4Li(Pb2O3)2,-4.7048899073,-1.3701397138,0.1550292921,0.1550292921,GGA,C2,A4BC6D4_mC30_5_2c_a_ab2c_2c:Cs-Li-O-Pb,15.0,"Invalid WP multiplicities - A4BC6D4_mC30_5_4c_a_ab2c_4c:Cs-Li-O-Pb, expected Cs8Li(Pb4O3)2 to be Cs4Li(Pb2O3)2" +mp-1236465,Cs4Li(Pb2O3)2,-4.774615274,-1.4398650805,0.0853039255,0.0853039255,GGA,C2,A4BC6D4_mC30_5_2c_a_ab2c_2c:Cs-Li-O-Pb,15.0,"Invalid WP multiplicities - A4BC6D4_mC30_5_4c_a_ab2c_4c:Cs-Li-O-Pb, expected Cs8Li(Pb4O3)2 to be Cs4Li(Pb2O3)2" +mp-1222447,LiP5Pb2O15,-7.3484775887,-2.5397358405,0.0,-0.0045095206,GGA,Pc,AB15C5D2_mP46_7_a_15a_5a_2a:Li-O-P-Pb,46.0,"Invalid WP multiplicities - AB15C5D2_mP46_7_a_22a_7a_3a:Li-O-P-Pb, expected LiP7Pb3O22 to be LiP5Pb2O15" +mp-1192530,CsPPbO4,-6.6887056357,-2.4304046652,0.0,-0.0426858629,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:Cs-O-P-Pb,28.0,AB4CD_oP28_62_c_2cd_c_c:Cs-O-P-Pb +mp-1213704,Cs3LiPb4,-2.6826396175,-0.2519248346,0.0,-0.0701978733,GGA,Cmcm,A3BC4_oC32_63_cf_a_fg:Cs-Li-Pb,16.0,A3BC4_oC32_63_cf_a_fg:Cs-Li-Pb +mp-767262,Li12Mn3FeP4(CO7)4,-7.3165715067,-2.3946811722,0.0533629732,0.0533629732,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Fe-Li-Mn-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Fe-Li-Mn-O-P +mp-766510,Li12MnFe3P4(CO7)4,-7.252092935,-2.3568177574,0.048218237,0.048218237,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Fe-Li-Mn-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Fe-Li-Mn-O-P +mp-757146,Li6MnFeP2(CO7)2,-7.28945781,-2.3808750539,0.045665016,0.045665016,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Fe-Li-Mn-O-P,52.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Fe-Li-Mn-O-P +mp-2713780,Na3CaMgP(SO6)2,-6.5685573139,-2.5375611846,0.0512293531,0.0512293531,GGA,P1,ABC3D12EF2_aP120_1_6a_6a_18a_72a_6a_12a:Ca-Mg-Na-O-P-S,120.0,ABC3D12EF2_aP120_1_6a_6a_18a_72a_6a_12a:Ca-Mg-Na-O-P-S +mp-2713584,Na5Ca2Mg2PS5O24,-6.5336434432,-2.4659391551,0.049350323,0.049350323,GGA,P1,A2B2C5D24EF5_aP117_1_6a_6a_15a_72a_3a_15a:Ca-Mg-Na-O-P-S,117.0,A2B2C5D24EF5_aP117_1_6a_6a_15a_72a_3a_15a:Ca-Mg-Na-O-P-S +mp-2714599,Na7Ca2Mg2P3(SO8)3,-6.6053187133,-2.609240101,0.0464342665,0.0464342665,GGA,P1,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ca-Mg-Na-O-P-S,123.0,A2B2C7D24E3F3_aP123_1_6a_6a_21a_72a_9a_9a:Ca-Mg-Na-O-P-S +mp-2713117,Na4CaMgP2SO12,-6.634649501,-2.6718256667,0.0359980919,0.0359980919,GGA,P1,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ca-Mg-Na-O-P-S,126.0,ABC4D12E2F_aP126_1_6a_6a_24a_72a_12a_6a:Ca-Mg-Na-O-P-S +mp-558004,BaCaVP2O9,-7.948173595,-3.0656532875,0.0026175583,0.0026175583,GGA+U,P2_1/c,ABC9D2E_mP56_14_e_e_9e_2e_e:Ba-Ca-O-P-V,56.0,"Invalid WP multiplicities - ABC9D2E_mP56_14_e_e_32e_5e_e:Ba-Ca-O-P-V, expected BaCaVP5O32 to be BaCaVP2O9" +mp-759611,BaLiCaVP2O9,-7.6792933048,-2.9950128267,0.0604796616,0.0604796616,GGA+U,P2_1/c,ABCD9E2F_mP60_14_e_e_e_9e_2e_e:Ba-Ca-Li-O-P-V,60.0,"Invalid WP multiplicities - ABCD9E2F_mP60_14_e_e_e_35e_3e_e:Ba-Ca-Li-O-P-V, expected BaLiCaVP3O35 to be BaLiCaVP2O9" +mp-1363137,Ba2CaV2(P2O9)2,-7.8900235039,-2.900950588,0.0169246645,0.0169246645,GGA+U,Pc,A2BC18D4E2_mP54_7_2a_a_18a_4a_2a:Ba-Ca-O-P-V,54.0,"Invalid WP multiplicities - A2BC18D4E2_mP54_7_3a_a_33a_8a_4a:Ba-Ca-O-P-V, expected Ba3CaV4P8O33 to be Ba2CaV2(P2O9)2" +mp-1097520,BaLi2Ca,-0.6533106425,1.2822944958,1.29104195,1.29104195,GGA,Immm,ABC2_oI8_71_a_b_e:Ba-Ca-Li,4.0,ABC2_oI8_71_a_b_e:Ba-Ca-Li +mp-760067,Ba2LiVP2O9,-7.6319955213,-2.9534900392,0.092964302,0.092964302,GGA+U,Cc,A2BC9D2E_mC60_9_2a_a_9a_2a_a:Ba-Li-O-P-V,30.0,"Invalid WP multiplicities - A2BC9D2E_mC60_9_2a_a_16a_2a_a:Ba-Li-O-P-V, expected Ba2LiV(PO8)2 to be Ba2LiVP2O9" +mp-2714463,Na7Ca2Zn2P3(SO8)3,-6.428781712,-2.4493146334,0.0686672281,0.0686672281,GGA,P1,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ca-Na-O-P-S-Zn,123.0,A2B7C24D3E3F2_aP123_1_6a_21a_72a_9a_9a_6a:Ca-Na-O-P-S-Zn +mp-2713625,Na5Ca2Zn2PS5O24,-6.3375805592,-2.2873396782,0.0697776322,0.0697776322,GGA,P1,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Ca-Na-O-P-S-Zn,117.0,A2B5C24DE5F2_aP117_1_6a_15a_72a_3a_15a_6a:Ca-Na-O-P-S-Zn +mp-2712977,Na4CaZnP2SO12,-6.4613130877,-2.5147052744,0.0649376588,0.0649376588,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ca-Na-O-P-S-Zn,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ca-Na-O-P-S-Zn +mp-2714561,Na3CaZnP(SO6)2,-6.3857764153,-2.371807108,0.0761828206,0.0761828206,GGA,P1,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ca-Na-O-P-S-Zn,120.0,AB3C12DE2F_aP120_1_6a_18a_72a_6a_12a_6a:Ca-Na-O-P-S-Zn +mp-1247399,Na2IrN2,-5.506817066,0.1244778574,0.3226542323,0.3226542323,GGA,Immm,AB2C2_oI10_71_a_e_e:Ir-N-Na,5.0,AB2C2_oI10_71_a_e_e:Ir-N-Na +mp-1247413,Na2IrN2,-5.490434974,0.1408599494,0.3390363243,0.3390363243,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ir-N-Na,5.0,AB2C2_hP5_164_a_d_d:Ir-N-Na +mp-726216,NaIr(N2O3)4,-6.4015935132,-0.2100851764,0.6008625997,0.6008625997,GGA,Fm-3,AB8CD12_cF88_202_a_ce_b_h:Ir-N-Na-O,22.0,AB8CD12_cF88_202_a_ce_b_h:Ir-N-Na-O +mp-22102,Na3Ir(NO2)6,-6.6478787077,-1.0940039738,0.0577349249,0.0577349249,GGA,R-3m,AB6C3D12_hR66_166_a_h_bc_2h:Ir-N-Na-O,22.0,"Invalid WP multiplicities - AB6C3D12_hR66_166_a_h_bc_3h:Ir-N-Na-O, expected Na3Ir(NO3)6 to be Na3Ir(NO2)6" +mp-28211,IrS3Cl11,-3.5213107155,-0.7491982461000001,0.0,-0.0467832459,GGA,P2_1/c,A11BC3_mP60_14_11e_e_3e:Cl-Ir-S,60.0,"Invalid WP multiplicities - A11BC3_mP60_14_15e_e_4e:Cl-Ir-S, expected IrS4Cl15 to be IrS3Cl11" +mp-1181321,IrS2N5(Cl2O3)2,-5.300298005,0.0257068531,0.9688226058,0.9688226058,GGA,P2_1/c,A4BC5D6E2_mP36_14_2e_a_d2e_3e_e:Cl-Ir-N-O-S,36.0,A4BC5D6E2_mP36_14_2e_a_d2e_3e_e:Cl-Ir-N-O-S +mp-1204262,Na3IrS2N2(Cl2O5)2,-5.630325335,-1.3297374533,0.2077277651,0.2077277651,GGA,P2_1/c,A4BC2D3E10F2_mP44_14_2e_a_e_be_5e_e:Cl-Ir-N-Na-O-S,44.0,A4BC2D3E10F2_mP44_14_2e_a_e_de_5e_e:Cl-Ir-N-Na-O-S +mp-1246706,NaIrN2,-6.5322520095000005,0.1762353213,0.4239557899,0.4239557899,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Ir-N-Na,64.0,AB2C_oP64_61_2c_4c_2c:Ir-N-Na +mp-1181100,IrS2Cl3O7,-5.2782319427,-0.8717884910000001,0.4247473233,0.4247473233,GGA,P2_1/m,A3BC7D2_mP26_11_ef_e_3e2f_2e:Cl-Ir-O-S,26.0,A3BC7D2_mP26_11_ef_e_3e2f_2e:Cl-Ir-O-S +mp-1194026,IrS2Cl3O7,-5.6512981027,-1.244854651,0.0516811633,0.0516811633,GGA,P2_1/m,A3BC7D2_mP26_11_ef_e_3e2f_2e:Cl-Ir-O-S,26.0,A3BC7D2_mP26_11_ef_e_3e2f_2e:Cl-Ir-O-S +mp-1029569,Na3IrN2,-5.0392538317,-0.1260871799,0.0390597991,0.0390597991,GGA,P2_1/c,AB2C3_mP24_14_e_2e_3e:Ir-N-Na,24.0,AB2C3_mP24_14_e_2e_3e:Ir-N-Na +mp-14355,Cs2SrP2O7,-6.9837752521,-2.905964903,0.0,-0.0402181308,GGA,C2/c,A2B7C2D_mC48_15_f_e3f_f_c:Cs-O-P-Sr,24.0,A2B7C2D_mC48_15_f_e3f_f_c:Cs-O-P-Sr +mp-1019609,Cs2Sr2Li3B3(PO4)6,-7.4570418084,-2.9036648166,0.0,-0.006134511,GGA,P2_13,A3B2C3D24E6F2_cP160_198_b_2a_b_8b_2b_2a:B-Cs-Li-O-P-Sr,160.0,A3B2C3D24E6F2_cP160_198_b_2a_b_8b_2b_2a:B-Cs-Li-O-P-Sr +mp-1203903,Cs4Sr3(PO3)12,-7.3442219015,-2.7680307463,0.0,-0.0078570223,GGA,I-43d,A4B36C12D3_cI220_220_c_3e_e_a:Cs-O-P-Sr,110.0,A4B36C12D3_cI220_220_c_3e_e_a:Cs-O-P-Sr +mp-1177182,Li4VCo3(PO4)4,-7.3999174764,-2.4411753218,0.038804269,0.038804269,GGA+U,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Co-Li-O-P-V,28.0,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Co-Li-O-P-V +mp-760808,Li5V3Cu(PO4)4,-7.3805191305,-2.4944581436,0.1024856932,0.1024856932,GGA+U,Cm,AB5C16D4E3_mC116_8_2a_2a4b_8a12b_4a2b_2a2b:Cu-Li-O-P-V,58.0,"Invalid WP multiplicities - AB5C16D4E3_mC116_8_2a_2a5b_8a21b_4a3b_2a2b:Cu-Li-O-P-V, expected Li6V3Cu(PO5)5 to be Li5V3Cu(PO4)4" +mp-1177342,Li4V3CoCu2(PO4)6,-7.4632399465,-2.4283778235,0.0736564369,0.0736564369,GGA+U,P1,AB2C4D24E6F3_aP40_1_a_2a_4a_24a_6a_3a:Co-Cu-Li-O-P-V,40.0,AB2C4D24E6F3_aP40_1_a_2a_4a_24a_6a_3a:Co-Cu-Li-O-P-V +mp-757133,Li2VCu(PO4)2,-7.2567800729,-2.4424177031,0.0667484345,0.0667484345,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Cu-Li-O-P-V,28.0,"Invalid WP multiplicities - AB2C8D2E_mP28_11_e_ab_7e4f_3e_e:Cu-Li-O-P-V, expected Li2VCu(PO5)3 to be Li2VCu(PO4)2" +mp-765840,Li4V3Co(PO4)4,-7.6678745557,-2.5680189529,0.0464649342,0.0464649342,GGA+U,Pm,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Co-Li-O-P-V,28.0,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Co-Li-O-P-V +mp-1176990,Li6V3Cu(PO4)6,-7.3761943098,-2.526074155,0.1073494143,0.1073494143,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cu-Li-O-P-V,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Cu-Li-O-P-V +mp-1177267,Li4V3Cu(PO4)4,-7.5312509714,-2.5388636231,0.0710597054,0.0710597054,GGA+U,Pm,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Cu-Li-O-P-V,28.0,AB4C16D4E3_mP28_6_a_2c_4a4b4c_2a2b_a2b:Cu-Li-O-P-V +mp-759398,Li2V2Cu(PO4)3,-7.569070905,-2.4848190751,0.0821686337,0.0821686337,GGA+U,C2,AB2C12D3E2_mC80_5_c_abc_12c_ab2c_2c:Cu-Li-O-P-V,40.0,"Invalid WP multiplicities - AB2C12D3E2_mC80_5_c_abc_22c_ab2c_2c:Cu-Li-O-P-V, expected Li2V2CuP3O22 to be Li2V2Cu(PO4)3" +mp-760152,Li8VCo3(PO4)6,-6.9727232243,-2.2850902124,0.2768360504,0.2768360504,GGA+U,R3,A3B8C24D6E_hR126_146_3a_2a2b_8b_2b_a:Co-Li-O-P-V,42.0,"Invalid WP multiplicities - A3B8C24D6E_hR126_146_3a_2a2b_24b_2b_a:Co-Li-O-P-V, expected Li8VCo3(PO12)6 to be Li8VCo3(PO4)6" +mp-1177254,Li4V2Co3Cu3O16,-6.5570190289,-1.6079798724,0.1112350381,0.1112350381,GGA+U,P1,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cu-Li-O-V,28.0,A3B3C4D16E2_aP28_1_3a_3a_4a_16a_2a:Co-Cu-Li-O-V +mp-758266,Li4V2Co3Cu3O16,-6.589674205,-1.6406350485,0.078579862,0.078579862,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cu-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cu-Li-O-V, expected Li4V2Co3Cu3O20 to be Li4V2Co3Cu3O16" +mp-768928,LiVCo3(PO4)6,-7.3373882269,-2.094013186,0.126845819,0.126845819,GGA+U,R3,A3BC24D6E_hR105_146_3a_a_8b_2b_a:Co-Li-O-P-V,35.0,"Invalid WP multiplicities - A3BC24D6E_hR105_146_3a_a_20b_2b_a:Co-Li-O-P-V, expected LiVCo3(PO10)6 to be LiVCo3(PO4)6" +mp-2713495,Na2LaZnP(SO6)2,-6.7404313834,-2.4305751688,0.0944582948,0.0944582948,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:La-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:La-Na-O-P-S-Zn, expected Na2LaZnPS3O20 to be Na2LaZnP(SO6)2" +mp-7060,LaZnPO,-6.2059332063,-2.066997723,0.0,-0.0886987507,GGA,P4/nmm,ABCD_tP8_129_c_a_c_b:La-O-P-Zn,8.0,ABCD_tP8_129_c_a_c_b:La-O-P-Zn +mp-2712565,Na3LaZnP2SO12,-6.8008719719,-2.5765396714,0.1208604414,0.1208604414,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:La-Na-O-P-S-Zn,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:La-Na-O-P-S-Zn, expected Na8LaZnP7SO60 to be Na3LaZnP2SO12" +mp-2715910,Na7La2Zn2P5SO24,-6.842055628,-2.6573563609,0.0944104158,0.0944104158,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:La-Na-O-P-S-Zn,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:La-Na-O-P-S-Zn +mp-2715172,Na4LaZn(PO4)3,-6.8635623103,-2.7166087892,0.0869357627,0.0869357627,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:La-Na-O-P-Zn,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:La-Na-O-P-Zn, expected Na4LaZn(PO12)3 to be Na4LaZn(PO4)3" +mp-2713243,Na3La2Zn2PS5O24,-6.7219026132,-2.3658172559,0.0653017113,0.0653017113,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:La-Na-O-P-S-Zn,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:La-Na-O-P-S-Zn +mp-2714073,Na7La3Zn(PO4)6,-7.1948095395,-2.8893025617,0.0700706843,0.0700706843,GGA,P1,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:La-Na-O-P-Zn,123.0,A3B7C24D6E_aP123_1_9a_21a_72a_18a_3a:La-Na-O-P-Zn +mp-2714872,Na5La2Zn2P3(SO8)3,-6.7674032088,-2.5014054117,0.1121218181,0.1121218181,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:La-Na-O-P-S-Zn,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:La-Na-O-P-S-Zn +mp-1211255,La2ZnP2O,-4.8882532933,-0.4040780359,1.4966757158,1.4966757158,GGA,P4/mmm,A2BC2D_tP6_123_g_a_g_b:La-O-P-Zn,6.0,A2BC2D_tP6_123_g_a_g_b:La-O-P-Zn +mp-1195533,LiAlC16Cl12(OF6)4,-5.4930872603,-1.3351935264,0.3330472861,0.3330472861,GGA,P2_1,AB16C12D24EF4_mP116_4_a_16a_12a_24a_a_4a:Al-C-Cl-F-Li-O,116.0,AB16C12D24EF4_mP116_4_a_16a_12a_24a_a_4a:Al-C-Cl-F-Li-O +mp-1247034,CrSiN2,-8.6143119903,-0.6764731528,0.3234080007,0.3234080007,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cr-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:Cr-N-Si +mp-1182750,Cr3C8(NCl2)6,-5.6489515564,0.3851820926,1.1384993022,1.1384993022,GGA,Pnnm,A8B12C3D6_oP58_58_4g_2g2h_ag_3g:C-Cl-Cr-N,58.0,A8B12C3D6_oP58_58_4g_2g2h_ag_3g:C-Cl-Cr-N +mp-1245397,Cr3Si6N11,-8.38728828,-0.7266635417,0.390512441,0.390512441,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Cr-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Cr-N-Si +mp-1245536,Cr5(SiN3)3,-8.5856314725,-0.3756523099,0.566260446,0.566260446,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:Cr-N-Si,68.0,A5B9C3_oC136_64_d2fg_3f3g_e2f:Cr-N-Si +mp-1246251,CrSi7N10,-8.3256350864,-1.0481227014,0.1848675188,0.1848675188,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Cr-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Cr-N-Si +mp-1080816,Cr3PN,-9.049183827,-0.5073958587,0.01279957,0.01279957,GGA,Cmcm,A3BC_oC20_63_cf_a_c:Cr-N-P,10.0,A3BC_oC20_63_cf_a_c:Cr-N-P +mp-1246195,Cr5(SiN3)2,-8.879222070800001,-0.4842341508,0.3542638026,0.3542638026,GGA,C2/c,A5B6C2_mC52_15_e2f_3f_f:Cr-N-Si,26.0,A5B6C2_mC52_15_e2f_3f_f:Cr-N-Si +mp-556946,Rb2V2Cu(PO6)2,-7.3443664595,-2.3751582225,0.0038037583,0.0038037583,GGA+U,P2_1/c,AB12C2D2E2_mP38_14_a_6e_e_e_e:Cu-O-P-Rb-V,38.0,"Invalid WP multiplicities - AB12C2D2E2_mP38_14_a_22e_e_e_e:Cu-O-P-Rb-V, expected Rb2V2Cu(PO22)2 to be Rb2V2Cu(PO6)2" +mp-1234288,Rb4MgV4Cu2(PO6)4,-7.2424620038,-2.3596365409,0.1174848595,0.1174848595,GGA+U,P1,A2BC24D4E4F4_aP39_1_2a_a_24a_4a_4a_4a:Cu-Mg-O-P-Rb-V,39.0,A2BC24D4E4F4_aP39_1_2a_a_24a_4a_4a_4a:Cu-Mg-O-P-Rb-V +mp-1234713,Rb4MgV4Cu2(PO6)4,-7.2507827815,-2.3679573185,0.1091640818,0.1091640818,GGA+U,P1,A2BC24D4E4F4_aP39_1_2a_a_24a_4a_4a_4a:Cu-Mg-O-P-Rb-V,39.0,A2BC24D4E4F4_aP39_1_2a_a_24a_4a_4a_4a:Cu-Mg-O-P-Rb-V +mp-766470,Na6Ca3MnC6(O9F)2,-7.18785857,-2.4281553926,0.0,-0.0048767436,GGA+U,P1,A6B3C2DE6F18_aP36_1_6a_3a_2a_a_6a_18a:C-Ca-F-Mn-Na-O,36.0,A6B3C2DE6F18_aP36_1_6a_3a_2a_a_6a_18a:C-Ca-F-Mn-Na-O +mp-1210550,NaCa3C2O7F3,-6.8439518694,-2.7090822569,0.1320936207,0.1320936207,GGA,P3_1,A2B3C3DE7_hP48_144_2a_3a_3a_a_7a:C-Ca-F-Na-O,48.0,A2B3C3DE7_hP48_144_2a_3a_3a_a_7a:C-Ca-F-Na-O +mp-1180183,NaCa3C2O7F3,-6.8335456969,-2.6986760844,0.1424997932,0.1424997932,GGA,P3_221,A2B3C3DE7_hP48_154_c_ac_ac_b_b3c:C-Ca-F-Na-O,48.0,"Invalid WP multiplicities - A2B3C3DE7_hP48_154_c_ac_a2c_b_b6c:C-Ca-F-Na-O, expected NaCa3C2O13F5 to be NaCa3C2O7F3" +mp-866712,RbMnP3HO10,-7.43345143,-2.4808220524,0.0,-0.0215474305,GGA+U,C2,ABC10D3E_mC64_5_ab_ab_10c_3c_c:H-Mn-O-P-Rb,32.0,ABC10D3E_mC64_5_ab_ab_10c_3c_c:H-Mn-O-P-Rb +mp-24609,RbMnP3HO10,-7.4329001678,-2.4802707902,0.0005512622,-0.0209961683,GGA+U,C2/c,ABC10D3E_mC64_15_c_d_5f_ef_e:H-Mn-O-P-Rb,32.0,ABC10D3E_mC64_15_a_b_5f_ef_e:H-Mn-O-P-Rb +mp-760023,RbLiMnP3HO10,-7.2995343303,-2.5259465121,0.0184249306,0.0184249306,GGA+U,Cc,ABCD10E3F_mC68_9_a_a_a_10a_3a_a:H-Li-Mn-O-P-Rb,34.0,"Invalid WP multiplicities - ABCD10E3F_mC68_9_a_a_a_18a_6a_a:H-Li-Mn-O-P-Rb, expected RbLiMnP6HO18 to be RbLiMnP3HO10" +mp-1226983,In12Se19N2,-3.8313698679,-0.3127179683,0.416225709,0.416225709,GGA,R-3,A12B2C19_hR99_148_2f_c_a3f:In-N-Se,33.0,A12B2C19_hR99_148_2f_c_a3f:In-N-Se +mp-1078396,InSe2N,-3.70095614,0.8190442626000001,1.3201930407,1.3201930407,GGA,I4/mcm,ABC2_tI16_140_b_a_h:In-N-Se,8.0,ABC2_tI16_140_b_a_h:In-N-Se +mp-1205153,In2Sb2H16C4Se7N2,-4.8163752411,-0.3889807313,0.0129624567,0.0129624567,GGA,C2/c,A4B16C2D2E2F7_mC132_15_2f_8f_f_f_f_e3f:C-H-In-N-Sb-Se,66.0,A4B16C2D2E2F7_mC132_15_2f_8f_f_f_f_e3f:C-H-In-N-Sb-Se +mp-1246930,In4Se3N2,-4.460274705,-0.2194459047,0.2955900733,0.2955900733,GGA,Pnnm,A4B2C3_oP18_58_2g_g_ag:In-N-Se,18.0,A4B2C3_oP18_58_2g_g_ag:In-N-Se +mp-1246310,In4Se3N2,-4.6015687314,-0.3607399311,0.1542960469,0.1542960469,GGA,Pnma,A4B2C3_oP36_62_2cd_d_cd:In-N-Se,36.0,A4B2C3_oP36_62_2cd_d_cd:In-N-Se +mp-1202406,Ba3NaCaY(C2O7)3,-7.2295419677,-1.9324517557,0.4412256492,0.4412256492,GGA,Cc,A3B6CDE21F_mC132_9_3a_6a_a_a_21a_a:Ba-C-Ca-Na-O-Y,66.0,A3B6CDE21F_mC132_9_3a_6a_a_a_21a_a:Ba-C-Ca-Na-O-Y +mp-560919,Na5Y(CO3)4,-7.2734342501,-2.3027967917,0.0,-0.00503213,GGA,P2_1/c,A4B5C12D_mP88_14_4e_5e_12e_e:C-Na-O-Y,88.0,"Invalid WP multiplicities - A4B5C12D_mP88_14_13e_19e_42e_e:C-Na-O-Y, expected Na19YC13O42 to be Na5Y(CO3)4" +mp-1180560,NaY(C2O5)2,-8.0629040887,-2.1772449957,0.0258469176,0.0258469176,GGA,P2_1,A4BC10D_mP32_4_4a_a_10a_a:C-Na-O-Y,32.0,A4BC10D_mP32_4_4a_a_10a_a:C-Na-O-Y +mp-1199404,NaY(C2O5)2,-7.7381152453,-1.8524561522,0.350635761,0.350635761,GGA,P2_1,A4BC10D_mP32_4_4a_a_10a_a:C-Na-O-Y,32.0,A4BC10D_mP32_4_4a_a_10a_a:C-Na-O-Y +mp-1214430,CaY(CO4)2,-7.5115975917,-1.969688286,0.4206531101,0.4206531101,GGA,P4_12_12,A2BC8D_tP96_92_2b_b_8b_b:C-Ca-O-Y,96.0,A2BC8D_tP96_92_2b_b_8b_b:C-Ca-O-Y +mp-1194479,Na3Y(CO3)3,-7.5456843928,-2.3806692758,0.0,-0.0334680145,GGA,Ama2,A3B3C9D_oC64_40_bc_a2b_3b3c_b:C-Na-O-Y,32.0,A3B3C9D_oC64_40_bc_a2b_3b3c_b:C-Na-O-Y +mp-1212703,Na3Y(CO4)3,-6.6803051895,-1.5497626628,0.4550114641,0.4550114641,GGA,Pna2_1,A3B3C12D_oP76_33_3a_3a_12a_a:C-Na-O-Y,76.0,A3B3C12D_oP76_33_3a_3a_12a_a:C-Na-O-Y +mp-42458,SrAl3P2(HO2)7,-6.7811350367,-2.4568553985,0.0367454039,0.0367454039,GGA,R3m,A3B7C14D2E_hR81_160_b_a2b_2a4b_2a_a:Al-H-O-P-Sr,27.0,"Invalid WP multiplicities - A3B7C14D2E_hR81_160_b_a4b_2a6b_2a_a:Al-H-O-P-Sr, expected SrAl3P2H13O20 to be SrAl3P2(HO2)7" +mp-1209043,Sr2Al4Fe3P4(H2O13)2,-7.3198956021,-2.4917706124,0.096225743,0.096225743,GGA+U,P-1,A4B3C4D26E4F2_aP43_2_bci_di_2i_13i_2i_i:Al-Fe-H-O-P-Sr,43.0,A4B3C4D26E4F2_aP43_2_bci_di_2i_13i_2i_i:Al-Fe-H-O-P-Sr +mp-746739,SrFe3P4HO16,-7.7284206474,-2.476720146,0.0,-0.0050127944,GGA+U,P2_1/c,A3BC16D4E_mP100_14_3e_e_16e_4e_e:Fe-H-O-P-Sr,100.0,A3BC16D4E_mP100_14_3e_e_16e_4e_e:Fe-H-O-P-Sr +mp-760044,NaLiMnPCO7,-7.475923385,-2.3374023492,0.0,-0.0012623712,GGA+U,P2_1,ABCDE7F_mP24_4_a_a_a_a_7a_a:C-Li-Mn-Na-O-P,24.0,"Invalid WP multiplicities - ABCDE7F_mP24_4_a_a_a_a_13a_a:C-Li-Mn-Na-O-P, expected NaLiMnPCO13 to be NaLiMnPCO7" +mp-766935,NaMnPCO7,-7.6057792816,-2.1736584122,0.0092262966,0.0026866411,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-777065,NaMnPCO7,-7.6066728552,-2.1745519858,0.008332723,0.0017930675,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-769469,NaMnPCO7,-7.5956009909,-2.1634801215,0.0194045873,0.0128649318,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-769484,NaMnPCO7,-7.6057307766,-2.1736099072,0.0092748016,0.0027351461,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-1101650,NaMnPCO7,-7.5958732945,-2.1637524251,0.0191322836,0.0125926282,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-1101664,NaMnPCO7,-7.6102451736,-2.1781243042,0.0047604045,-0.0017792509,GGA+U,P1,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P,44.0,ABCD7E_aP44_1_4a_4a_4a_28a_4a:C-Mn-Na-O-P +mp-761016,NaMnPCO7,-7.6150055782,-2.1828847088,0.0,-0.0065396555,GGA+U,P-1,ABCD7E_aP22_2_i_i_i_7i_i:C-Mn-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_aP22_2_i_i_i_13i_i:C-Mn-Na-O-P, expected NaMnPCO13 to be NaMnPCO7" +mp-774775,NaMnPCO7,-7.604662452999999,-2.1725415836,0.0103431252,0.0038034698,GGA+U,P-1,ABCD7E_aP44_2_2i_2i_2i_14i_2i:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_aP44_2_4i_3i_3i_28i_4i:C-Mn-Na-O-P, expected Na3Mn3P4(CO7)4 to be NaMnPCO7" +mp-769500,NaMnPCO7,-7.602209198,-2.1700883286,0.0127963802,0.0062567248,GGA+U,P-1,ABCD7E_aP44_2_2i_2i_2i_14i_2i:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_aP44_2_3i_3i_3i_27i_3i:C-Mn-Na-O-P, expected NaMnPCO9 to be NaMnPCO7" +mp-769584,NaMnPCO7,-7.6064317341,-2.1743108647,0.0085738441,0.0020341886,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Mn-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Mn-Na-O-P, expected NaMnPCO13 to be NaMnPCO7" +mp-769517,NaMnPCO7,-7.5940946295,-2.1619737601,0.0209109486,0.0143712932,GGA+U,Cm,ABCD7E_mC88_8_2ab_2ab_2b_10a9b_2ab:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mC88_8_2ab_2ab_2b_10a11b_2ab:C-Mn-Na-O-P, expected NaMnPCO8 to be NaMnPCO7" +mp-1101480,NaMnPCO7,-7.5936079093,-2.1614870399,0.0213976689,0.0148580134,GGA+U,Cm,ABCD7E_mC88_8_2ab_2ab_2b_10a9b_2ab:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mC88_8_2ab_2ab_2b_10a11b_2ab:C-Mn-Na-O-P, expected NaMnPCO8 to be NaMnPCO7" +mp-768061,NaMnPCO7,-7.6054250305,-2.1733041611,0.0095805477,0.0030408923,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_19e_e:C-Mn-Na-O-P, expected NaMnPCO19 to be NaMnPCO7" +mp-768072,NaMnPCO7,-7.6084885139,-2.1763676445,0.0065170643,-2.25911e-05,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_19e_e:C-Mn-Na-O-P, expected NaMnPCO19 to be NaMnPCO7" +mp-767952,NaMnPCO7,-7.6064969161,-2.1743760467,0.008508662,0.0019690066,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_25e_e:C-Mn-Na-O-P, expected NaMnPCO25 to be NaMnPCO7" +mp-774606,NaMnPCO7,-7.6065746152,-2.1744537458,0.008430963,0.0018913075,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_19e_e:C-Mn-Na-O-P, expected NaMnPCO19 to be NaMnPCO7" +mp-774684,NaMnPCO7,-7.6076398345,-2.1755189651,0.0073657436,0.0008260882,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_25e_e:C-Mn-Na-O-P, expected NaMnPCO25 to be NaMnPCO7" +mp-1101667,NaMnPCO7,-7.6102745073,-2.1781536379,0.0047310709,-0.0018085845,GGA+U,P2_1/c,ABCD7E_mP44_14_e_e_e_7e_e:C-Mn-Na-O-P,44.0,"Invalid WP multiplicities - ABCD7E_mP44_14_e_e_e_19e_e:C-Mn-Na-O-P, expected NaMnPCO19 to be NaMnPCO7" +mp-780462,Na6Mn2P(CO4)4,-7.234262849,-2.1399812558,0.0248017183,0.0248017183,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Mn-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Mn-Na-O-P, expected Na6Mn2P(CO27)4 to be Na6Mn2P(CO4)4" +mp-782649,Na4Mn2P(CO4)4,-7.3847158754,-2.0110449267,0.07416264,0.07416264,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Mn-Na-O-P,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Mn-Na-O-P, expected Na10Mn2P(CO21)4 to be Na4Mn2P(CO4)4" +mp-772414,Na2LiMnPCO7,-7.2212619254,-2.3762790236,0.0238703074,0.0238703074,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772411,Na2LiMnPCO7,-7.2200108492,-2.3750279474,0.0251213836,0.0251213836,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772500,Na2LiMnPCO7,-7.2192810492,-2.3742981474,0.0258511836,0.0258511836,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772499,Na2LiMnPCO7,-7.2209750854,-2.3759921836,0.0241571474,0.0241571474,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772501,Na2LiMnPCO7,-7.2193653983,-2.3743824965,0.0257668346,0.0257668346,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772567,Na2LiMnPCO7,-7.2202642631,-2.3752813613,0.0248679697,0.0248679697,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-756734,Na2LiMnPCO7,-7.2266010992,-2.3816181974,0.0185311336,0.0185311336,GGA+U,P1,ABCD2E7F_aP26_1_2a_2a_2a_4a_14a_2a:C-Li-Mn-Na-O-P,26.0,ABCD2E7F_aP26_1_2a_2a_2a_4a_14a_2a:C-Li-Mn-Na-O-P +mp-1176546,Na2LiMnPCO7,-7.2242630362,-2.3792801343,0.0208691967,0.0208691967,GGA+U,P1,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P,52.0,ABCD2E7F_aP52_1_4a_4a_4a_8a_28a_4a:C-Li-Mn-Na-O-P +mp-772555,Na2LiMnPCO7,-7.2182073635,-2.3732244617,0.0269248694,0.0269248694,GGA+U,Pc,ABCD2E7F_mP52_7_2a_2a_2a_4a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - ABCD2E7F_mP52_7_2a_2a_2a_5a_20a_2a:C-Li-Mn-Na-O-P, expected Na5Li2Mn2P2(CO10)2 to be Na2LiMnPCO7" +mp-764273,Na2LiMnPCO7,-7.2220793346,-2.3770964328,0.0230528982,0.0230528982,GGA+U,P2_1/m,ABCD2E7F_mP26_11_e_e_e_f_5ef_e:C-Li-Mn-Na-O-P,26.0,ABCD2E7F_mP26_11_e_e_e_f_5ef_e:C-Li-Mn-Na-O-P +mp-768027,Na2MnPCO7,-7.3962366917,-2.3065821203,0.009036275,-0.0091598681,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-768058,Na2MnPCO7,-7.3947491944,-2.305094623,0.0105237723,-0.0076723708,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-768085,Na2MnPCO7,-7.3937629406,-2.3041083692,0.011510026,-0.0066861171,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-774642,Na2MnPCO7,-7.3941575685,-2.3045029971,0.0111153981,-0.007080745,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-769485,Na2MnPCO7,-7.3935438929,-2.3038893215,0.0117290738,-0.0064670694,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-774795,Na2MnPCO7,-7.3963056992,-2.3066511278,0.0089672675,-0.0092288756,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-774796,Na2MnPCO7,-7.3943557996,-2.3047012282,0.0109171671,-0.007278976,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-769474,Na2MnPCO7,-7.393272424,-2.3036178526,0.0120005427,-0.0061956004,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-867778,Na2MnPCO7,-7.3925175442,-2.3028629728,0.0127554225,-0.0054407206,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176385,Na2MnPCO7,-7.3939798679,-2.3043252965,0.0112930988,-0.0069030444,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176390,Na2MnPCO7,-7.396109531,-2.3064549596,0.0091634356,-0.0090327075,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176391,Na2MnPCO7,-7.3950188783,-2.3053643069,0.0102540883,-0.0079420548,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176394,Na2MnPCO7,-7.3942002654,-2.304545694,0.0110727013,-0.0071234419,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176395,Na2MnPCO7,-7.39596628,-2.3063117086,0.0093066867,-0.0088894565,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-1176409,Na2MnPCO7,-7.3945733567,-2.3049187853,0.01069961,-0.0074965331,GGA+U,P1,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P,48.0,ABC2D7E_aP48_1_4a_4a_8a_28a_4a:C-Mn-Na-O-P +mp-780530,Na2MnPCO7,-7.4052729667,-2.3156183953,0.0,-0.0181961431,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Mn-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Mn-Na-O-P, expected Na2MnPCO13 to be Na2MnPCO7" +mp-769477,Na3Mn2P2(CO7)2,-7.5017837967,-2.2483409959,0.0037960711,0.0037960711,GGA+U,P1,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Mn-Na-O-P,46.0,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Mn-Na-O-P +mp-774811,Na3Mn2P2(CO7)2,-7.4938570061,-2.2404142052,0.0117228617,0.0117228617,GGA+U,P1,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Mn-Na-O-P,23.0,A2B2C3D14E2_aP23_1_2a_2a_3a_14a_2a:C-Mn-Na-O-P +mp-774454,Na3Mn2P2(CO7)2,-7.5039943409,-2.25055154,0.001585527,0.001585527,GGA+U,P1,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Mn-Na-O-P,46.0,A2B2C3D14E2_aP46_1_4a_4a_6a_28a_4a:C-Mn-Na-O-P +mp-774641,Na3Mn2P2(CO7)2,-7.496637432,-2.2431946311,0.0089424359,0.0089424359,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,A2B2C3D14E2_aP46_2_4i_4i_6i_28i_4i:C-Mn-Na-O-P +mp-769482,Na3Mn2P2(CO7)2,-7.4961562993,-2.2427134985,0.0094235685,0.0094235685,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_3i_5i_27i_3i:C-Mn-Na-O-P, expected Na5Mn3P3(CO9)3 to be Na3Mn2P2(CO7)2" +mp-769518,Na3Mn2P2(CO7)2,-7.4980247663,-2.2445819654,0.0075551015,0.0075551015,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_4i_3i_5i_27i_3i:C-Mn-Na-O-P, expected Na5Mn3P3C4O27 to be Na3Mn2P2(CO7)2" +mp-769520,Na3Mn2P2(CO7)2,-7.5026213489,-2.249178548,0.0029585189,0.0029585189,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_4i_3i_6i_28i_4i:C-Mn-Na-O-P, expected Na6Mn3P4(CO7)4 to be Na3Mn2P2(CO7)2" +mp-769523,Na3Mn2P2(CO7)2,-7.5031220122,-2.2496792113,0.0024578557,0.0024578557,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_4i_4i_5i_28i_4i:C-Mn-Na-O-P, expected Na5Mn4P4(CO7)4 to be Na3Mn2P2(CO7)2" +mp-769531,Na3Mn2P2(CO7)2,-7.5014457009,-2.2480029,0.004134167,0.004134167,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_4i_5i_27i_3i:C-Mn-Na-O-P, expected Na5Mn4P3(CO9)3 to be Na3Mn2P2(CO7)2" +mp-1176372,Na3Mn2P2(CO7)2,-7.5026776448,-2.2492348439,0.002902223,0.002902223,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_aP46_2_3i_3i_5i_27i_3i:C-Mn-Na-O-P, expected Na5Mn3P3(CO9)3 to be Na3Mn2P2(CO7)2" +mp-1176422,Na3Mn2P2(CO7)2,-7.4975980024,-2.2441552015,0.0079818654,0.0079818654,GGA+U,P-1,A2B2C3D14E2_aP46_2_2i_2i_3i_14i_2i:C-Mn-Na-O-P,46.0,A2B2C3D14E2_aP46_2_4i_4i_6i_28i_4i:C-Mn-Na-O-P +mp-774611,Na3Mn2P2(CO7)2,-7.4956511476,-2.2422083467,0.0099287202,0.0099287202,GGA+U,P2_1,A2B2C3D14E2_mP46_4_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_4_3a_3a_6a_27a_3a:C-Mn-Na-O-P, expected Na2MnPCO9 to be Na3Mn2P2(CO7)2" +mp-774682,Na3Mn2P2(CO7)2,-7.4950920135,-2.2416492126,0.0104878543,0.0104878543,GGA+U,P2_1,A2B2C3D14E2_mP46_4_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_4_3a_3a_6a_27a_3a:C-Mn-Na-O-P, expected Na2MnPCO9 to be Na3Mn2P2(CO7)2" +mp-769540,Na3Mn2P2(CO7)2,-7.4960173009,-2.2425745,0.009562567,0.009562567,GGA+U,P2_1,A2B2C3D14E2_mP46_4_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,A2B2C3D14E2_mP46_4_4a_4a_6a_28a_4a:C-Mn-Na-O-P +mp-1176376,Na3Mn2P2(CO7)2,-7.4972453715,-2.2438025706,0.0083344963,0.0083344963,GGA+U,P2_1,A2B2C3D14E2_mP46_4_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,A2B2C3D14E2_mP46_4_4a_4a_6a_28a_4a:C-Mn-Na-O-P +mp-769534,Na3Mn2P2(CO7)2,-7.4947668304,-2.2413240296,0.0108130374,0.0108130374,GGA+U,Pc,A2B2C3D14E2_mP46_7_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_7_2a_2a_4a_20a_2a:C-Mn-Na-O-P, expected Na2MnPCO10 to be Na3Mn2P2(CO7)2" +mp-768086,Na3Mn2P2(CO7)2,-7.4949941761,-2.2415513752,0.0105856917,0.0105856917,GGA+U,Pc,A2B2C3D14E2_mP46_7_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,A2B2C3D14E2_mP46_7_4a_4a_6a_28a_4a:C-Mn-Na-O-P +mp-1176379,Na3Mn2P2(CO7)2,-7.4960944667,-2.2426516659,0.0094854011,0.0094854011,GGA+U,Pc,A2B2C3D14E2_mP46_7_2a_2a_3a_14a_2a:C-Mn-Na-O-P,46.0,"Invalid WP multiplicities - A2B2C3D14E2_mP46_7_2a_2a_4a_20a_2a:C-Mn-Na-O-P, expected Na2MnPCO10 to be Na3Mn2P2(CO7)2" +mp-754428,Na5LiMn2P2(CO7)2,-7.1945518913,-2.3721227424,0.0106768662,0.0106768662,GGA+U,P1,A2BC2D5E14F2_aP26_1_2a_a_2a_5a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_aP26_1_2a_a_4a_5a_14a_2a:C-Li-Mn-Na-O-P, expected Na5LiMn4P2(CO7)2 to be Na5LiMn2P2(CO7)2" +mp-772315,Na5LiMn2P2(CO7)2,-7.1894676087,-2.3670384597,0.0157611489,0.0157611489,GGA+U,P1,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P +mp-772518,Na5LiMn2P2(CO7)2,-7.1893731013,-2.3669439524,0.0158556562,0.0158556562,GGA+U,P1,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P +mp-772547,Na5LiMn2P2(CO7)2,-7.1891704588,-2.3667413099,0.0160582987,0.0160582987,GGA+U,P1,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P +mp-772546,Na5LiMn2P2(CO7)2,-7.1893752444,-2.3669460954,0.0158535131,0.0158535131,GGA+U,P1,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P +mp-772639,Na5LiMn2P2(CO7)2,-7.1883634142,-2.3659342652,0.0168653433,0.0168653433,GGA+U,P1,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2BC2D5E14F2_aP52_1_4a_2a_4a_10a_28a_4a:C-Li-Mn-Na-O-P +mp-772483,Na5LiMn2P2(CO7)2,-7.191632696,-2.369203547,0.0135960616,0.0135960616,GGA+U,P-1,A2BC2D5E14F2_aP52_2_2i_i_2i_5i_14i_2i:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_aP52_2_4i_i_4i_10i_28i_4i:C-Li-Mn-Na-O-P, expected Na10LiMn4P4(CO7)4 to be Na5LiMn2P2(CO7)2" +mp-772728,Na5LiMn2P2(CO7)2,-7.1910709046,-2.3686417556,0.0141578529,0.0141578529,GGA+U,P-1,A2BC2D5E14F2_aP52_2_2i_i_2i_5i_14i_2i:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_aP52_2_3i_i_3i_9i_27i_3i:C-Li-Mn-Na-O-P, expected Na9LiMn3P3(CO9)3 to be Na5LiMn2P2(CO7)2" +mp-772235,Na5LiMn2P2(CO7)2,-7.1920982735,-2.3696691245,0.0131304841,0.0131304841,GGA+U,P2_1,A2BC2D5E14F2_mP52_4_2a_a_2a_5a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_mP52_4_4a_a_4a_10a_28a_4a:C-Li-Mn-Na-O-P, expected Na10LiMn4P4(CO7)4 to be Na5LiMn2P2(CO7)2" +mp-772308,Na5LiMn2P2(CO7)2,-7.1906939052,-2.3682647562,0.0145348524,0.0145348524,GGA+U,P2_1,A2BC2D5E14F2_mP52_4_2a_a_2a_5a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_mP52_4_3a_a_3a_9a_27a_3a:C-Li-Mn-Na-O-P, expected Na9LiMn3P3(CO9)3 to be Na5LiMn2P2(CO7)2" +mp-754568,Na5LiMn2P2(CO7)2,-7.1964384827,-2.3740093337,0.0087902749,0.0087902749,GGA+U,Pm,A2BC2D5E14F2_mP26_6_ab_a_ab_b2c_5a5b2c_ab:C-Li-Mn-Na-O-P,26.0,A2BC2D5E14F2_mP26_6_ab_a_ab_b2c_5a5b2c_ab:C-Li-Mn-Na-O-P +mp-772311,Na5LiMn2P2(CO7)2,-7.1896458096,-2.3672166606,0.0155829479,0.0155829479,GGA+U,Pc,A2BC2D5E14F2_mP52_7_2a_a_2a_5a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2BC2D5E14F2_mP52_7_2a_a_2a_6a_20a_2a:C-Li-Mn-Na-O-P, expected Na6LiMn2P2(CO10)2 to be Na5LiMn2P2(CO7)2" +mp-774240,Na3Li3Mn2P2(CO7)2,-7.2521426731,-2.3846060184,0.032893035,0.032893035,GGA+U,P1,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P,26.0,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P +mp-772236,Na3Li3Mn2P2(CO7)2,-7.2501594325,-2.3826227779,0.0348762756,0.0348762756,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-772507,Na3Li3Mn2P2(CO7)2,-7.2538019033,-2.3862652486,0.0312338048,0.0312338048,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-772484,Na3Li3Mn2P2(CO7)2,-7.2485525402,-2.3810158856,0.0364831679,0.0364831679,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-772637,Na3Li3Mn2P2(CO7)2,-7.2497161525,-2.3821794979,0.0353195556,0.0353195556,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-770835,Na3Li3Mn2P2(CO7)2,-7.2466477246,-2.37911107,0.0383879835,0.0383879835,GGA+U,P1,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P,26.0,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P +mp-770929,Na3Li3Mn2P2(CO7)2,-7.2608977692,-2.3933611146,0.0241379388,0.0241379388,GGA+U,P1,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P,26.0,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P +mp-771021,Na3Li3Mn2P2(CO7)2,-7.2613468906,-2.3938102359,0.0236888175,0.0236888175,GGA+U,P1,A2B3C2D3E14F2_aP26_1_2a_3a_2a_3a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B3C2D3E14F2_aP26_1_2a_3a_4a_3a_14a_2a:C-Li-Mn-Na-O-P, expected Na3Li3Mn4P2(CO7)2 to be Na3Li3Mn2P2(CO7)2" +mp-1176367,Na3Li3Mn2P2(CO7)2,-7.2517763079,-2.3842396533,0.0332594002,0.0332594002,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-772498,Na3Li3Mn2P2(CO7)2,-7.2560690265,-2.3885323719,0.0289666815,0.0289666815,GGA+U,P1,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B3C2D3E14F2_aP52_1_4a_6a_4a_6a_28a_4a:C-Li-Mn-Na-O-P +mp-776602,Na5Mn2P(CO4)4,-7.3051045784,-2.0761174031,0.0509166907,0.0509166907,GGA+U,C2/c,A4B2C5D16E_mC112_15_2f_ac_e2f_8f_e:C-Mn-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_mC112_15_5f_a2c_2e7f_31f_e:C-Mn-Na-O-P, expected Na16Mn3P(C5O31)2 to be Na5Mn2P(CO4)4" +mp-771487,Na5Mn2P(CO4)4,-7.3030593055,-2.0740721302,0.0529619635,0.0529619635,GGA+U,F222,A4B2C5D16E_oF224_22_2k_k_efghi_8k_ac:C-Mn-Na-O-P,56.0,"Invalid WP multiplicities - A4B2C5D16E_oF224_22_4k_k_2e2f2g2h2i_20k_ac:C-Mn-Na-O-P, expected Na10Mn2P(CO5)8 to be Na5Mn2P(CO4)4" +mp-771385,Na3MnPCO7,-7.1560261985,-2.3561508023,0.0092990838,-0.0107014473,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Mn-Na-O-P,52.0,ABC3D7E_mP26_4_a_a_3a_7a_a:C-Mn-Na-O-P +mp-19261,Na3MnPCO7,-7.1653252823,-2.3654498861,0.0,-0.0200005311,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mn-Na-O-P,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Mn-Na-O-P +mp-772519,NaLi2MnPCO7,-7.2742952148,-2.3842048074,0.0506439685,0.0506439685,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772313,NaLi2MnPCO7,-7.2773319213,-2.3872415139,0.047607262,0.047607262,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772234,NaLi2MnPCO7,-7.2801189285,-2.390028521,0.0448202549,0.0448202549,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772558,NaLi2MnPCO7,-7.2822399287,-2.3921495212,0.0426992547,0.0426992547,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772618,NaLi2MnPCO7,-7.28249338,-2.3924029726,0.0424458033,0.0424458033,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772634,NaLi2MnPCO7,-7.2739774527,-2.3838870452,0.0509617306,0.0509617306,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-772651,NaLi2MnPCO7,-7.2784132173,-2.3883228099,0.046525966,0.046525966,GGA+U,P1,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP52_1_4a_8a_4a_4a_28a_4a:C-Li-Mn-Na-O-P +mp-771039,NaLi2MnPCO7,-7.2839086673,-2.3938182599,0.041030516,0.041030516,GGA+U,P1,AB2CDE7F_aP26_1_2a_4a_2a_2a_14a_2a:C-Li-Mn-Na-O-P,26.0,AB2CDE7F_aP26_1_2a_4a_2a_2a_14a_2a:C-Li-Mn-Na-O-P +mp-771003,NaLi2MnPCO7,-7.2989906546,-2.4089002472,0.0259485287,0.0259485287,GGA+U,P-1,AB2CDE7F_aP26_2_i_2i_i_i_7i_i:C-Li-Mn-Na-O-P,26.0,"Invalid WP multiplicities - AB2CDE7F_aP26_2_i_3i_i_i_13i_i:C-Li-Mn-Na-O-P, expected NaLi3MnPCO13 to be NaLi2MnPCO7" +mp-1667394,NaLi2MnPCO7,-7.3006116929,-2.4105212854,0.0243274904,0.0243274904,GGA+U,P-1,AB2CDE7F_aP26_2_i_2i_i_i_7i_i:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_aP26_2_i_2i_i_i_7i_i:C-Li-Mn-Na-O-P +mp-755754,NaLi2MnPCO7,-7.2919768142,-2.4018864068,0.0329623691,0.0329623691,GGA+U,P2_1,AB2CDE7F_mP26_4_a_2a_a_a_7a_a:C-Li-Mn-Na-O-P,52.0,AB2CDE7F_mP26_4_a_2a_a_a_7a_a:C-Li-Mn-Na-O-P +mp-772419,NaLi5Mn2P2(CO7)2,-7.3085982681,-2.3959541078,0.0562443905,0.0562443905,GGA+U,P1,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P +mp-772307,NaLi5Mn2P2(CO7)2,-7.3090066481,-2.3963624878,0.0558360105,0.0558360105,GGA+U,P1,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P +mp-772515,NaLi5Mn2P2(CO7)2,-7.311630805,-2.3989866447,0.0532118536,0.0532118536,GGA+U,P1,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P +mp-772559,NaLi5Mn2P2(CO7)2,-7.313337154,-2.4006929938,0.0515055046,0.0515055046,GGA+U,P1,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P +mp-773725,NaLi5Mn2P2(CO7)2,-7.3114464631,-2.3988023028,0.0533961955,0.0533961955,GGA+U,P1,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P,52.0,A2B5C2DE14F2_aP52_1_4a_10a_4a_2a_28a_4a:C-Li-Mn-Na-O-P +mp-772652,NaLi5Mn2P2(CO7)2,-7.3179247256,-2.4052805653,0.046917933,0.046917933,GGA+U,P-1,A2B5C2DE14F2_aP52_2_2i_5i_2i_i_14i_2i:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B5C2DE14F2_aP52_2_4i_10i_4i_i_28i_4i:C-Li-Mn-Na-O-P, expected NaLi10Mn4P4(CO7)4 to be NaLi5Mn2P2(CO7)2" +mp-772727,NaLi5Mn2P2(CO7)2,-7.31667749,-2.4040333297,0.0481651686,0.0481651686,GGA+U,P-1,A2B5C2DE14F2_aP52_2_2i_5i_2i_i_14i_2i:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B5C2DE14F2_aP52_2_3i_9i_3i_i_27i_3i:C-Li-Mn-Na-O-P, expected NaLi9Mn3P3(CO9)3 to be NaLi5Mn2P2(CO7)2" +mp-772418,NaLi5Mn2P2(CO7)2,-7.3158137798,-2.4031696195,0.0490288788,0.0490288788,GGA+U,P2_1,A2B5C2DE14F2_mP52_4_2a_5a_2a_a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B5C2DE14F2_mP52_4_4a_10a_4a_a_28a_4a:C-Li-Mn-Na-O-P, expected NaLi10Mn4P4(CO7)4 to be NaLi5Mn2P2(CO7)2" +mp-772615,NaLi5Mn2P2(CO7)2,-7.3151347744,-2.4024906142,0.0497078842,0.0497078842,GGA+U,P2_1,A2B5C2DE14F2_mP52_4_2a_5a_2a_a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B5C2DE14F2_mP52_4_3a_10a_3a_a_27a_3a:C-Li-Mn-Na-O-P, expected NaLi10Mn3P3(CO9)3 to be NaLi5Mn2P2(CO7)2" +mp-772444,NaLi5Mn2P2(CO7)2,-7.3144446162,-2.4018004559,0.0503980424,0.0503980424,GGA+U,Pc,A2B5C2DE14F2_mP52_7_2a_5a_2a_a_14a_2a:C-Li-Mn-Na-O-P,52.0,"Invalid WP multiplicities - A2B5C2DE14F2_mP52_7_2a_6a_2a_a_20a_2a:C-Li-Mn-Na-O-P, expected NaLi6Mn2P2(CO10)2 to be NaLi5Mn2P2(CO7)2" +mp-769461,Na5Mn2P2(CO7)2,-7.270811428,-2.3318420277,0.0096887428,0.0096887428,GGA+U,P1,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Mn-Na-O-P,50.0,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Mn-Na-O-P +mp-754356,Na5Mn2P2(CO7)2,-7.2669372272,-2.3279678269,0.0135629436,0.0135629436,GGA+U,P1,A2B2C5D14E2_aP25_1_2a_2a_5a_14a_2a:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP25_1_2a_4a_5a_14a_2a:C-Mn-Na-O-P, expected Na5Mn4P2(CO7)2 to be Na5Mn2P2(CO7)2" +mp-774692,Na5Mn2P2(CO7)2,-7.273887852,-2.3349184517,0.0066123188,0.0066123188,GGA+U,P1,A2B2C5D14E2_aP75_1_6a_6a_15a_42a_6a:C-Mn-Na-O-P,75.0,A2B2C5D14E2_aP75_1_6a_6a_15a_42a_6a:C-Mn-Na-O-P +mp-774630,Na5Mn2P2(CO7)2,-7.2732696956,-2.3343002953,0.0072304752,0.0072304752,GGA+U,P1,A2B2C5D14E2_aP75_1_6a_6a_15a_42a_6a:C-Mn-Na-O-P,75.0,A2B2C5D14E2_aP75_1_6a_6a_15a_42a_6a:C-Mn-Na-O-P +mp-1176341,Na5Mn2P2(CO7)2,-7.2727495812,-2.3337801809,0.0077505896,0.0077505896,GGA+U,P1,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Mn-Na-O-P,50.0,A2B2C5D14E2_aP50_1_4a_4a_10a_28a_4a:C-Mn-Na-O-P +mp-769465,Na5Mn2P2(CO7)2,-7.2764630796,-2.3374936793,0.0040370912,0.0040370912,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_4i_9i_27i_3i:C-Mn-Na-O-P, expected Na9Mn4P3(CO9)3 to be Na5Mn2P2(CO7)2" +mp-769529,Na5Mn2P2(CO7)2,-7.2779596522,-2.3389902519,0.0025405186,0.0025405186,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_3i_9i_27i_3i:C-Mn-Na-O-P, expected Na3MnPCO9 to be Na5Mn2P2(CO7)2" +mp-769536,Na5Mn2P2(CO7)2,-7.2795127076,-2.3405433073,0.0009874632,0.0009874632,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_3i_4i_10i_28i_4i:C-Mn-Na-O-P, expected Na10Mn4P4C3O28 to be Na5Mn2P2(CO7)2" +mp-1176352,Na5Mn2P2(CO7)2,-7.2790509244,-2.3400815241,0.0014492464,0.0014492464,GGA+U,P-1,A2B2C5D14E2_aP50_2_2i_2i_5i_14i_2i:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_aP50_2_4i_4i_9i_28i_4i:C-Mn-Na-O-P, expected Na9Mn4P4(CO7)4 to be Na5Mn2P2(CO7)2" +mp-753576,Na5Mn2P2(CO7)2,-7.2767916012,-2.3378222009,0.0037085696,0.0037085696,GGA+U,Pm,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Mn-Na-O-P,25.0,A2B2C5D14E2_mP25_6_ab_ab_a2c_5a5b2c_ab:C-Mn-Na-O-P +mp-1176357,Na5Mn2P2(CO7)2,-7.2780787772,-2.3391093769,0.0024213936,0.0024213936,GGA+U,Pm,A2B2C5D14E2_mP75_6_3a3b_3a3b_2ab6c_15a15b6c_3a3b:C-Mn-Na-O-P,75.0,A2B2C5D14E2_mP75_6_3a3b_3a3b_2ab6c_15a15b6c_3a3b:C-Mn-Na-O-P +mp-768003,Na5Mn2P2(CO7)2,-7.2759883326,-2.3370189323,0.0045118382,0.0045118382,GGA+U,P2_1/m,A2B2C5D14E2_mP50_11_2e_2e_e2f_10e2f_2e:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_11_3e_3e_2e3f_19e4f_3e:C-Mn-Na-O-P, expected Na8Mn3P3(CO9)3 to be Na5Mn2P2(CO7)2" +mp-774671,Na5Mn2P2(CO7)2,-7.2746746074,-2.3357052071,0.0058255634,0.0058255634,GGA+U,P2_1/m,A2B2C5D14E2_mP50_11_2e_2e_e2f_10e2f_2e:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_11_3e_3e_2e3f_19e4f_3e:C-Mn-Na-O-P, expected Na8Mn3P3(CO9)3 to be Na5Mn2P2(CO7)2" +mp-1176765,Na5Mn2P2(CO7)2,-7.2761040468,-2.3371346465,0.004396124,0.004396124,GGA+U,P2_1/m,A2B2C5D14E2_mP50_11_2e_2e_e2f_10e2f_2e:C-Mn-Na-O-P,50.0,A2B2C5D14E2_mP50_11_4e_4e_2e4f_20e4f_4e:C-Mn-Na-O-P +mp-766884,Na5Mn2P2(CO7)2,-7.2712159164,-2.3322465161,0.0092842544,0.0092842544,GGA+U,P2_1/m,A2B2C5D14E2_mP50_11_2e_2e_e2f_10e2f_2e:C-Mn-Na-O-P,50.0,"Invalid WP multiplicities - A2B2C5D14E2_mP50_11_2e_2e_2e2f_18e4f_2e:C-Mn-Na-O-P, expected Na3MnPCO13 to be Na5Mn2P2(CO7)2" +mp-774509,Na5Mn2P2(CO7)2,-7.2747613608,-2.3357919605,0.00573881,0.00573881,GGA+U,P2_1/m,A2B2C5D14E2_mP50_11_2e_2e_e2f_10e2f_2e:C-Mn-Na-O-P,50.0,A2B2C5D14E2_mP50_11_4e_4e_2e4f_20e4f_4e:C-Mn-Na-O-P +mp-1235141,RbLiCu2H3(SO5)2,-5.7933976053,-1.6351957495,0.0572680252,0.0572680252,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S +mp-1235164,RbLiCu2H3(SO5)2,-5.7950220732,-1.6368202173,0.0556435573,0.0556435573,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S +mp-1236531,RbLiCu2H3(SO5)2,-5.7749945474,-1.6167926916000002,0.0756710831,0.0756710831,GGA,P1,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_aP19_1_2a_3a_a_10a_a_2a:Cu-H-Li-O-Rb-S +mp-1235688,RbLiCu2H3(SO5)2,-5.7706691268,-1.612467271,0.0799965037,0.0799965037,GGA,Cm,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S +mp-1235974,RbLiCu2H3(SO5)2,-5.7947187832,-1.6365169273,0.0559468473,0.0559468473,GGA,Cm,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S +mp-1236071,RbLiCu2H3(SO5)2,-5.7935074168,-1.635305561,0.0571582137,0.0571582137,GGA,Cm,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S,19.0,A2B3CD10EF2_mC38_8_b_3a_a_6a2b_a_2a:Cu-H-Li-O-Rb-S +mp-738389,Rb4Li(SO4)4,-6.0548618936,-1.9939067734,0.0473924376,0.0473924376,GGA,P4_1,AB16C4D4_tP100_76_a_16a_4a_4a:Li-O-Rb-S,100.0,AB16C4D4_tP100_76_a_16a_4a_4a:Li-O-Rb-S +mp-726253,RbLi3S2O9,-5.61995994,-1.6532665528,0.4997378894,0.4997378894,GGA,P1,A3B9CD2_aP15_1_3a_9a_a_2a:Li-O-Rb-S,15.0,A3B9CD2_aP15_1_3a_9a_a_2a:Li-O-Rb-S +mp-1209228,RbLi3S2O9,-5.9744094713,-2.0077160842,0.1452883581,0.1452883581,GGA,P1,A3B9CD2_aP15_1_3a_9a_a_2a:Li-O-Rb-S,15.0,A3B9CD2_aP15_1_3a_9a_a_2a:Li-O-Rb-S +mp-1176743,LiCuHSO5,-5.9124937167,-1.6601882717,0.068984129,0.068984129,GGA,P2_1/m,ABCD5E_mP18_11_a_e_e_3ef_e:Cu-H-Li-O-S,18.0,"Invalid WP multiplicities - ABCD5E_mP18_11_a_e_e_5e2f_e:Cu-H-Li-O-S, expected LiCuHSO9 to be LiCuHSO5" +mp-709885,Rb4LiH3(SO4)4,-6.013200879,-2.0238417312,0.0226069003,0.0194190007,GGA,P2_1,A3BC16D4E4_mP112_4_6a_2a_32a_8a_8a:H-Li-O-Rb-S,112.0,A3BC16D4E4_mP112_4_6a_2a_32a_8a_8a:H-Li-O-Rb-S +mp-1198331,Rb4LiH3(SO4)4,-6.0358077793,-2.0464486315,0.0,-0.0031878996,GGA,P4_1,A3BC16D4E4_tP112_76_3a_a_16a_4a_4a:H-Li-O-Rb-S,112.0,A3BC16D4E4_tP112_76_3a_a_16a_4a_4a:H-Li-O-Rb-S +mp-709066,Rb4LiH3(SO4)4,-6.0347782012,-2.0454190533,0.0010295781,-0.0021583214,GGA,P4_3,A3BC16D4E4_tP112_78_3a_a_16a_4a_4a:H-Li-O-Rb-S,112.0,A3BC16D4E4_tP112_78_3a_a_16a_4a_4a:H-Li-O-Rb-S +mp-1199446,RbLiSO4,-6.120514059,-2.2901338231,0.0113154964,-0.0011070356,GGA,Pc,AB4CD_mP140_7_10a_40a_10a_10a:Li-O-Rb-S,140.0,AB4CD_mP140_7_10a_40a_10a_10a:Li-O-Rb-S +mp-6211,RbLiSO4,-6.1318295554,-2.3014493195,0.0,-0.012422532,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:Li-O-Rb-S,28.0,AB4CD_mP28_14_e_4e_e_e:Li-O-Rb-S +mp-1202217,RbLiSO4,-6.1297037577,-2.2993235218,0.0021257977,-0.0102967343,GGA,P2_1/c,AB4CD_mP56_14_2e_8e_2e_2e:Li-O-Rb-S,56.0,AB4CD_mP56_14_2e_8e_2e_2e:Li-O-Rb-S +mp-1199595,MnSn4H24C8(Se5N)2,-5.0604524737,-0.3239798949,0.0595099301,0.0595099301,GGA,I-4,A8B24CD2E10F4_tI98_82_2g_6g_a_bc_f2g_g:C-H-Mn-N-Se-Sn,49.0,A8B24CD2E10F4_tI98_82_2g_6g_a_bc_f2g_g:C-H-Mn-N-Se-Sn +mp-1205136,MnH30C6(Se2N3)2,-5.1871052623,-0.2867136654,0.0494758126,0.0494758126,GGA,C2/c,A6B30CD6E4_mC188_15_3f_15f_e_3f_2f:C-H-Mn-N-Se,94.0,A6B30CD6E4_mC188_15_3f_15f_e_3f_2f:C-H-Mn-N-Se +mp-1246771,Mn3Sn8N9,-6.5544896754,0.1750640767,0.3185167226,0.3185167226,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Sn,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Sn +mp-505571,Mn3SnN,-8.175002694,-0.2085801628,0.0357612413,0.0357612413,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Sn,5.0,A3BC_cP5_221_c_b_a:Mn-N-Sn +mp-1221763,Mn7SnN2,-8.630963646,-0.1492967711,0.0960764006,0.0960764006,GGA,P4/mmm,A7B2C_tP10_123_abci_g_d:Mn-N-Sn,10.0,A7B2C_tP10_123_abci_g_d:Mn-N-Sn +mp-1247106,MnSnN2,-7.4944280538,-0.0332838045,0.2058039387,0.2058039387,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Sn,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Sn +mp-1225968,MnH30C6Se5N6,-5.1637266376,-0.2925950431,0.0365904874,0.0365904874,GGA,Pnna,A6B30CD6E5_oP192_52_3e_15e_d_3e_c2e:C-H-Mn-N-Se,192.0,A6B30CD6E5_oP192_52_3e_15e_d_3e_c2e:C-H-Mn-N-Se +mp-1245392,Mn4SnN4,-8.3829442139,-0.160320578,0.2647242989,0.2647242989,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Mn-N-Sn,18.0,A4B4C_aP18_2_4i_4i_i:Mn-N-Sn +mp-1245689,Mn7SnN6,-8.659375953,-0.2191867781,0.2088949511,0.2088949511,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Mn-N-Sn,56.0,A7B6C_oP56_60_c3d_3d_c:Mn-N-Sn +mp-2713276,Na2ScGaP2SO12,-7.1912196728,-2.6475915081,0.0456948832,0.0456948832,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-P-S-Sc,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-P-S-Sc +mp-2715616,NaScGaP(SO6)2,-7.1294026254,-2.4777605589,0.0352322531,0.0352322531,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Ga-Na-O-P-S-Sc,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Ga-Na-O-P-S-Sc +mp-2714188,NaSc2Ga2PS5O24,-7.0672287205,-2.3569505359000003,0.0406187357,0.0406187357,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ga-Na-O-P-S-Sc,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ga-Na-O-P-S-Sc +mp-2714961,Na5Sc2Ga2P5SO24,-7.2160545761,-2.7222789814,0.0500348183,0.0500348183,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-S-Sc,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-S-Sc +mp-2713736,Na3Sc2Ga2P3(SO8)3,-7.1640466932,-2.567871225,0.0395518529,0.0395518529,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ga-Na-O-P-S-Sc,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ga-Na-O-P-S-Sc +mp-2714492,Na4YGaSi(PO6)2,-7.1034486217,-2.7988364365,0.0691287204,0.0691287204,GGA,P1,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ga-Na-O-P-Si-Y,126.0,AB4C12D2EF_aP126_1_6a_24a_72a_12a_6a_6a:Ga-Na-O-P-Si-Y +mp-2715516,Na3YGa(PO4)3,-7.2631929181,-2.8100771645,0.0469938877,0.0469938877,GGA,P1,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Ga-Na-O-P-Y,120.0,AB3C12D3E_aP120_1_6a_18a_72a_18a_6a:Ga-Na-O-P-Y +mp-2715363,Na3YGa(PO4)3,-7.2644977183,-2.8113819647,0.0456890875,0.0456890875,GGA,P1,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Ga-Na-O-P-Y,80.0,AB3C12D3E_aP80_1_4a_12a_48a_12a_4a:Ga-Na-O-P-Y +mp-2715570,Na7Y2Ga2SiP5O24,-7.1839364327,-2.8068834825,0.0564978785,0.0564978785,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ga-Na-O-P-Si-Y,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ga-Na-O-P-Si-Y +mp-14324,K2Na4Be2O5,-5.0752147458,-2.0195864108,0.0,-0.0366247399,GGA,P4_2/mnm,A2B2C4D5_tP26_136_f_g_de_aj:Be-K-Na-O,26.0,"Invalid WP multiplicities - A2B2C4D5_tP26_136_f_g_de_2a2j:Be-K-Na-O, expected KNa2BeO5 to be K2Na4Be2O5" +mp-684950,KNaZr2Be(PO4)4,-7.1466979736,-2.1839792627,0.9166037699,0.9166037699,GGA,P1,ABCD16E4F2_aP25_1_a_a_a_16a_4a_2a:Be-K-Na-O-P-Zr,25.0,ABCD16E4F2_aP25_1_a_a_a_16a_4a_2a:Be-K-Na-O-P-Zr +mp-1188011,ZrBeO3,-8.293399844,-2.8679639182,0.662112432,0.662112432,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Be-O-Zr,5.0,AB3C_cP5_221_b_c_a:Be-O-Zr +mp-1239170,ZrBeO3,-7.325005726,-1.8995698003,1.63050655,1.63050655,GGA,Pm-3m,AB3C_cP5_221_a_c_b:Be-O-Zr,5.0,AB3C_cP5_221_a_c_b:Be-O-Zr +mp-2714083,NaAl2In2PS5O24,-6.7686769177,-2.2220161942,0.0407904431,0.0407904431,GGA,P1,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-In-Na-O-P-S,105.0,A2B2CD24EF5_aP105_1_6a_6a_3a_72a_3a_15a:Al-In-Na-O-P-S +mp-2713966,Na3Al2In2P3(SO8)3,-6.8818314192,-2.4404292248,0.043585328,0.043585328,GGA,P1,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-In-Na-O-P-S,111.0,A2B2C3D24E3F3_aP111_1_6a_6a_9a_72a_9a_9a:Al-In-Na-O-P-S +mp-2714370,NaAlInP(SO6)2,-6.838095581,-2.3455260461,0.0352889048,0.0352889048,GGA,P1,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-In-Na-O-P-S,108.0,ABCD12EF2_aP108_1_6a_6a_6a_72a_6a_12a:Al-In-Na-O-P-S +mp-2714922,Na5Al2In2P5SO24,-6.9517428121,-2.6048034003,0.0597127699,0.0597127699,GGA,P1,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-In-Na-O-P-S,117.0,A2B2C5D24E5F_aP117_1_6a_6a_15a_72a_15a_3a:Al-In-Na-O-P-S +mp-2713612,Na2AlInP2SO12,-6.9188950201,-2.5259671484,0.0558154483,0.0558154483,GGA,P1,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-In-Na-O-P-S,114.0,ABC2D12E2F_aP114_1_6a_6a_12a_72a_12a_6a:Al-In-Na-O-P-S +mp-2716169,Na8Y3TaSi4(PO12)2,-7.6440944365,-3.0468134955,0.0431621556,0.0431621556,GGA,P1,A8B24C2D4EF3_aP126_1_24a_72a_6a_12a_3a_9a:Na-O-P-Si-Ta-Y,126.0,A8B24C2D4EF3_aP126_1_24a_72a_6a_12a_3a_9a:Na-O-P-Si-Ta-Y +mp-2715381,Na3YTaSi2PO12,-7.9363972885,-3.0405959022,0.0835073797,0.0835073797,GGA,Cc,A3B12CD2EF_mC240_9_9a_36a_3a_6a_3a_3a:Na-O-P-Si-Ta-Y,240.0,"Invalid WP multiplicities - A3B12CD2EF_mC240_9_30a_132a_10a_22a_10a_10a:Na-O-P-Si-Ta-Y, expected Na15Y5Ta5Si11P5O66 to be Na3YTaSi2PO12" +mp-2715321,Na3YTaSi2PO12,-7.9324677867,-3.0366664004,0.0874368815,0.0874368815,GGA,Cc,A3B12CD2EF_mC80_9_3a_12a_a_2a_a_a:Na-O-P-Si-Ta-Y,120.0,"Invalid WP multiplicities - A3B12CD2EF_mC80_9_13a_72a_a_12a_a_a:Na-O-P-Si-Ta-Y, expected Na13YTaSi12PO72 to be Na3YTaSi2PO12" +mp-2714091,Na5Y2Ta2Si3(PO8)3,-8.0292833242,-3.0421675643,0.0924035107,0.0924035107,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Y,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-Si-Ta-Y +mp-2712967,Na3YTa3Si3(PO8)3,-8.4368889457,-3.1059762277,0.0395649781,0.0395649781,GGA,P1,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-P-Si-Ta-Y,111.0,A3B24C3D3E3F_aP111_1_9a_72a_9a_9a_9a_3a:Na-O-P-Si-Ta-Y +mp-2713044,Na3Y2Ta2SiP5O24,-8.2404952053,-3.0559429621,0.0707939167,0.0707939167,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Y,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-Si-Ta-Y +mp-2715714,Na2YTa3Si2(PO6)4,-8.5512873656,-3.109364317,0.0277258934,0.0277258934,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-Si-Ta-Y,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-Si-Ta-Y +mp-2716316,Na5YTa3Si5PO24,-8.227514883,-3.1015443138,0.0417531724,0.0417531724,GGA,P1,A5B24CD5E3F_aP117_1_15a_72a_3a_15a_9a_3a:Na-O-P-Si-Ta-Y,117.0,A5B24CD5E3F_aP117_1_15a_72a_3a_15a_9a_3a:Na-O-P-Si-Ta-Y +mp-2716345,Na6Y5Ta3(PO4)12,-8.1881286579,-3.076756652,0.0350408181,0.0350408181,GGA,P1,A6B48C12D3E5_aP222_1_18a_144a_36a_9a_15a:Na-O-P-Ta-Y,222.0,A6B48C12D3E5_aP222_1_18a_144a_36a_9a_15a:Na-O-P-Ta-Y +mp-2715064,Na4YTa3Si4(PO12)2,-8.330486996,-3.1047419596,0.0441637987,0.0441637987,GGA,P1,A4B24C2D4E3F_aP114_1_12a_72a_6a_12a_9a_3a:Na-O-P-Si-Ta-Y,114.0,A4B24C2D4E3F_aP114_1_12a_72a_6a_12a_9a_3a:Na-O-P-Si-Ta-Y +mp-2713931,Na2Y3Ta5(PO4)12,-8.5629022993,-3.0809874379,0.012563383,0.012563383,GGA,P1,A2B48C12D5E3_aP210_1_6a_144a_36a_15a_9a:Na-O-P-Ta-Y,210.0,A2B48C12D5E3_aP210_1_6a_144a_36a_15a_9a:Na-O-P-Ta-Y +mp-2713662,Na4Y3Ta(PO4)6,-8.0247762723,-3.0840490024,0.0328794568,0.0328794568,GGA,P1,A4B24C6DE3_aP114_1_12a_72a_18a_3a_9a:Na-O-P-Ta-Y,114.0,A4B24C6DE3_aP114_1_12a_72a_18a_3a_9a:Na-O-P-Ta-Y +mp-2713510,Na10Y7Ta(PO4)12,-7.8672010298,-3.0883674839,0.0277232893,0.0277232893,GGA,P1,A10B48C12DE7_aP234_1_30a_144a_36a_3a_21a:Na-O-P-Ta-Y,234.0,A10B48C12DE7_aP234_1_30a_144a_36a_3a_21a:Na-O-P-Ta-Y +mp-2713925,YTa3(PO4)6,-8.756327812,-3.0727940439,0.0015696509,0.0015696509,GGA,P3,A24B6C3D_hP102_143_24d_6d_2a3b4c_2ab:O-P-Ta-Y,102.0,A24B6C3D_hP102_143_24d_6d_2a3b4c_2ab:O-P-Ta-Y +mp-2714660,Na7Y3TaSi3(PO8)3,-7.7319145357,-3.0550545673,0.0476340201,0.0476340201,GGA,P1,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-P-Si-Ta-Y,123.0,A7B24C3D3EF3_aP123_1_21a_72a_9a_9a_3a_9a:Na-O-P-Si-Ta-Y +mp-2714042,Na5Y3TaSiP5O24,-7.9226763379,-3.0744153874,0.049238596,0.049238596,GGA,P1,A5B24C5DEF3_aP117_1_15a_72a_15a_3a_3a_9a:Na-O-P-Si-Ta-Y,117.0,A5B24C5DEF3_aP117_1_15a_72a_15a_3a_3a_9a:Na-O-P-Si-Ta-Y +mp-2712613,Na2YTaSi(PO6)2,-8.1289368877,-3.0457007346,0.0886088702,0.0886088702,GGA,Cc,A2B12C2DEF_mC228_9_6a_36a_6a_3a_3a_3a:Na-O-P-Si-Ta-Y,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC228_9_6a_72a_10a_3a_3a_3a:Na-O-P-Si-Ta-Y, expected Na6Y3Ta3Si3(P5O36)2 to be Na2YTaSi(PO6)2" +mp-2715693,NaYTa3SiP5O24,-8.6671417189,-3.1078648923,0.0133055083,0.0133055083,GGA,P1,AB24C5DE3F_aP105_1_3a_72a_15a_3a_9a_3a:Na-O-P-Si-Ta-Y,105.0,AB24C5DE3F_aP105_1_3a_72a_15a_3a_9a_3a:Na-O-P-Si-Ta-Y +mp-2714543,Na7Y2Ta2Si5PO24,-7.847368523,-3.0384271506,0.0724023608,0.0724023608,GGA,P1,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Y,123.0,A7B24CD5E2F2_aP123_1_21a_72a_3a_15a_6a_6a:Na-O-P-Si-Ta-Y +mp-2713340,NaYTa(PO4)3,-8.3528313993,-3.0613343942,0.043825356,0.043825356,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-P-Ta-Y,108.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_12b_b_a_a:Na-O-P-Ta-Y, expected NaYTa(PO12)3 to be NaYTa(PO4)3" +mp-2715421,Na6Y3TaSi2(PO6)4,-7.8334874406,-3.0730694934,0.0425255377,0.0425255377,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-Si-Ta-Y,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-Si-Ta-Y +mp-2715280,Na6Y3TaSi2(PO6)4,-7.8318648406,-3.0714468934,0.0441481376,0.0441481376,GGA,P1,A6B24C4D2EF3_aP40_1_6a_24a_4a_2a_a_3a:Na-O-P-Si-Ta-Y,80.0,"Invalid WP multiplicities - A6B24C4D2EF3_aP40_1_12a_48a_8a_4a_a_6a:Na-O-P-Si-Ta-Y, expected Na12Y6TaSi4(PO6)8 to be Na6Y3TaSi2(PO6)4" +mp-772117,Na2CoCSO7,-6.7645369804,-1.9524282537,0.0342664358,0.0342664358,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Na-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Na-O-S +mp-651461,Co8C24(SO7)3,-7.6729379704,-0.6257178505000001,0.4841208542,0.4841208542,GGA+U,Cc,A24B8C21D3_mC224_9_24a_8a_21a_3a:C-Co-O-S,112.0,"Invalid WP multiplicities - A24B8C21D3_mC224_9_47a_16a_40a_5a:C-Co-O-S, expected Co16C47(SO8)5 to be Co8C24(SO7)3" +mp-780426,Li6Co2C4SO16,-7.0525741874,-2.0226326699,0.0425299751,0.0425299751,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Co-Li-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:C-Co-Li-O-S, expected Li6Co2C4SO20 to be Li6Co2C4SO16" +mp-1575892,Li2CoCSO7,-6.8927503483,-1.9829086928,0.0624809423,0.0624809423,GGA+U,P-1,ABC2D7E_aP48_2_2i_2i_4i_14i_2i:C-Co-Li-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Li-O-S +mp-1983876,Li2CoCSO7,-6.8907006637,-1.9808590082,0.0645306269,0.0645306269,GGA+U,P2_1,ABC2D7E_mP24_4_a_a_2a_7a_a:C-Co-Li-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Li-O-S +mp-771972,Li2CoCSO7,-6.8933126377,-1.9834709822,0.0619186529,0.0619186529,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Li-O-S,48.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Li-O-S +mp-1176378,Na4Co2C4SO16,-6.9918148848,-1.8175605152,0.0536819645,0.0536819645,GGA+U,P1,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Co-Na-O-S,54.0,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Co-Na-O-S +mp-771839,Na4Co2C4SO16,-6.9878182709,-1.8135639013,0.0576785784,0.0576785784,GGA+U,F222,A4B2C4D16E_oF216_22_2k_k_efgh_8k_ac:C-Co-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_22_4k_k_2e2fg2h_20k_ac:C-Co-Na-O-S, expected Na7Co2C8SO40 to be Na4Co2C4SO16" +mp-775781,Na4Co2C4SO16,-6.9568249713,-1.7825706016,0.088671878,0.088671878,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Co-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_27h_b:C-Co-Na-O-S, expected Na10Co2C4SO108 to be Na4Co2C4SO16" +mp-770820,NaCoCSO7,-6.9108263223,-1.781482738,0.0307860005,0.0307860005,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Co-Na-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Co-Na-O-S, expected NaCoCSO13 to be NaCoCSO7" +mp-780164,Na6Co2C4SO16,-6.8907284222000005,-1.9821105406,0.0,-0.0124443755,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Co-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Co-Na-O-S, expected Na6Co2C4SO108 to be Na6Co2C4SO16" +mp-707110,Co3C7S2O7,-7.4934839841,-0.7132033238000001,0.4408958931,0.4408958931,GGA+U,P-1,A7B3C7D2_aP76_2_14i_6i_14i_4i:C-Co-O-S,76.0,A7B3C7D2_aP76_2_14i_6i_14i_4i:C-Co-O-S +mp-704489,Co3C9SO9,-7.697113314,-0.7407682646,0.4482812714,0.4482812714,GGA+U,P-1,A9B3C9D_aP88_2_18i_6i_18i_2i:C-Co-O-S,88.0,"Invalid WP multiplicities - A9B3C9D_aP88_2_35i_12i_33i_4i:C-Co-O-S, expected Co12C35S4O33 to be Co3C9SO9" +mp-770944,Li4Co2C4SO16,-7.0989817481,-1.8378536639,0.0874436867,0.0874436867,GGA+U,P1,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Co-Li-O-S,54.0,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Co-Li-O-S +mp-776275,Li4Co2C4SO16,-7.087643972,-1.8265158878,0.0987814628,0.0987814628,GGA+U,F222,A4B2C4D16E_oF216_22_2k_k_efgh_8k_ac:C-Co-Li-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_22_2k_k_2e2f2g2h_18k_ac:C-Co-Li-O-S, expected Li8Co2C4SO36 to be Li4Co2C4SO16" +mp-770515,Li4Co2C4SO16,-7.0917149807,-1.8305868965,0.0947104541,0.0947104541,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Co-Li-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Co-Li-O-S, expected Li10Co2C4SO84 to be Li4Co2C4SO16" +mp-616444,Co2C5SO5,-7.6053693575,-0.741534244,0.4233749616,0.4233749616,GGA+U,P2_1/c,A5B2C5D_mP52_14_5e_2e_5e_e:C-Co-O-S,52.0,"Invalid WP multiplicities - A5B2C5D_mP52_14_16e_4e_16e_e:C-Co-O-S, expected Co4C16SO16 to be Co2C5SO5" +mp-773196,LiCoCSO7,-6.9623811714,-1.7797287168,0.0621670352,0.0621670352,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Co-Li-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Co-Li-O-S, expected LiCoCSO13 to be LiCoCSO7" +mp-760207,Na2Li4Co2C4SO16,-6.9742987757,-1.9847984702,0.0560766112,0.0560766112,GGA+U,Fddd,A4B2C4D2E16F_oF232_70_h_c_h_e_4h_b:C-Co-Li-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C4D2E16F_oF232_70_h_c_h_e_21h_b:C-Co-Li-Na-O-S, expected Na2Li4Co2C4SO84 to be Na2Li4Co2C4SO16" +mp-622901,Co6C13(SO6)2,-7.5741701077,-0.5967239731,0.5058543360000001,0.5058543360000001,GGA+U,Cc,A13B6C12D2_mC132_9_13a_6a_12a_2a:C-Co-O-S,66.0,"Invalid WP multiplicities - A13B6C12D2_mC132_9_25a_12a_24a_2a:C-Co-O-S, expected Co12C25(SO12)2 to be Co6C13(SO6)2" +mp-1040172,KMg30GaO32,-6.2307836622,-2.9426440492,0.0576034728,0.0576034728,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:Ga-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:Ga-K-Mg-O, expected KMg110GaO72 to be KMg30GaO32" +mp-1040209,KMg30GaO32,-6.2381246262,-2.9499850133,0.0502625087,0.0502625087,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:Ga-K-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:Ga-K-Mg-O, expected KMg90GaO80 to be KMg30GaO32" +mp-1021300,KMg6Ga,-1.5804770831,0.1370448256,0.2050474683,0.2050474683,GGA,Amm2,ABC6_oC16_38_a_b_abde:Ga-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_b_2a2b2d2e:Ga-K-Mg, expected KMg12Ga to be KMg6Ga" +mp-1021355,KMg6Ga,-1.5746797575,0.1428421512,0.210844794,0.210844794,GGA,Amm2,ABC6_oC16_38_a_a_2bde:Ga-K-Mg,16.0,"Invalid WP multiplicities - ABC6_oC16_38_a_a_4b2d2e:Ga-K-Mg, expected KMg12Ga to be KMg6Ga" +mp-1031243,KMg6GaO8,-5.8385548944,-2.5064495844,0.3324196055,0.3324196055,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:Ga-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:Ga-K-Mg-O, expected KMg6GaO12 to be KMg6GaO8" +mp-1031256,KMg6GaO8,-5.8865684331,-2.5544631232,0.2844060668,0.2844060668,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:Ga-K-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:Ga-K-Mg-O, expected KMg6GaO12 to be KMg6GaO8" +mp-1223547,KMg3GaSi3(HO6)2,-6.9782455382,-2.8254725457000003,0.0,-0.022700764,GGA,P1,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Ga-H-K-Mg-O-Si,22.0,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Ga-H-K-Mg-O-Si +mp-1035614,KMg14GaO16,-6.1248711997,-2.8220763544,0.1243783903,0.1243783903,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:Ga-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:Ga-K-Mg-O, expected KMg18GaO20 to be KMg14GaO16" +mp-1035588,KMg14GaO16,-6.1069428497,-2.8041480044,0.1423067403,0.1423067403,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:Ga-K-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:Ga-K-Mg-O, expected KMg30GaO32 to be KMg14GaO16" +mp-1026859,KMg14Ga,-1.5878037875,0.0710971918,0.1184388143,0.1184388143,GGA,Amm2,ABC14_oC32_38_a_a_2b2cdef:Ga-K-Mg,16.0,"Invalid WP multiplicities - ABC14_oC32_38_a_a_2b2c2d2ef:Ga-K-Mg, expected KMg18Ga to be KMg14Ga" +mp-1026826,KMg14Ga,-1.5739005631,0.0850004162,0.1323420386,0.1323420386,GGA,P-6m2,ABC14_hP16_187_a_b_hjkn:Ga-K-Mg,16.0,"Invalid WP multiplicities - ABC14_hP16_187_a_b_h3j3kn:Ga-K-Mg, expected KMg26Ga to be KMg14Ga" +mp-1233062,BaMgAl3P2(HO7)2,-7.0753369148,-2.6570029347,0.1553287546,0.1553287546,GGA,P1,A3BC2DE14F2_aP23_1_3a_a_2a_a_14a_2a:Al-Ba-H-Mg-O-P,23.0,A3BC2DE14F2_aP23_1_3a_a_2a_a_14a_2a:Al-Ba-H-Mg-O-P +mp-1233034,BaMgAl3P2(HO7)2,-7.0815149517,-2.6631809717,0.1491507176,0.1491507176,GGA,C2,A3BC2DE14F2_mC46_5_ac_b_c_a_7c_c:Al-Ba-H-Mg-O-P,23.0,"Invalid WP multiplicities - A3BC2DE14F2_mC46_5_ac_b_c_a_11c_c:Al-Ba-H-Mg-O-P, expected BaMgAl3P2(HO11)2 to be BaMgAl3P2(HO7)2" +mp-1233091,BaMgAl3P2(HO7)2,-6.9764081487,-2.5580741687,0.2542575206,0.2542575206,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P +mp-1233466,BaMgAl3P2(HO7)2,-7.0452515222,-2.6269175421,0.1854141472,0.1854141472,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P +mp-1233827,BaMgAl3P2(HO7)2,-7.1184222957,-2.7000883156,0.1122433737,0.1122433737,GGA,Cm,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P,23.0,A3BC2DE14F2_mC46_8_ab_a_2a_a_6a4b_2a:Al-Ba-H-Mg-O-P +mp-2714055,Na7CaSc3(PO4)6,-7.4305466006,-3.0046678601,0.0109115673,0.0109115673,GGA,P1,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Ca-Na-O-P-Sc,123.0,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Ca-Na-O-P-Sc +mp-2713279,Na3Ca2Sc2PS5O24,-7.0802691944,-2.6083828495,0.0244580906,0.0244580906,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ca-Na-O-P-S-Sc,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ca-Na-O-P-S-Sc +mp-2715952,Na7Ca2Sc2P5SO24,-7.1709189176,-2.8817163201,0.0330318773,0.0330318773,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-S-Sc,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-S-Sc +mp-2714777,Na5Ca2Sc2P3(SO8)3,-7.1100963599,-2.7342360874,0.0621920944,0.0621920944,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ca-Na-O-P-S-Sc,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ca-Na-O-P-S-Sc +mp-2715098,Na4CaSc(PO4)3,-7.1809776472,-2.9320089704,0.0259202333,0.0259202333,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Ca-Na-O-P-Sc,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Ca-Na-O-P-Sc, expected Na4CaSc(PO12)3 to be Na4CaSc(PO4)3" +mp-2712818,Na3CaScP2SO12,-7.1359427603,-2.8044945462,0.0554286842,0.0554286842,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ca-Na-O-P-S-Sc,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Ca-Na-O-P-S-Sc, expected Na8CaScP7SO60 to be Na3CaScP2SO12" +mp-2713499,Na2CaScP(SO6)2,-7.0848338845,-2.6622240767000003,0.056299995,0.056299995,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Ca-Na-O-P-S-Sc,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Ca-Na-O-P-S-Sc, expected Na2CaScPS3O20 to be Na2CaScP(SO6)2" +mp-1198211,Na2NiMo6H26(NO15)2,-6.3407029613,-1.4633355541,0.058021879,0.058021879,GGA+U,P2_1/c,A26B6C2D2EF30_mP134_14_13e_3e_e_e_a_15e:H-Mo-N-Na-Ni-O,134.0,A26B6C2D2EF30_mP134_14_13e_3e_e_e_a_15e:H-Mo-N-Na-Ni-O +mp-722891,Na2Ni(H7N3)2,-4.9974886639000005,-0.3913007749,0.0174689439,0.0174689439,GGA,I4/m,A14B6C2D_tI92_87_h3i_hi_h_e:H-N-Na-Ni,46.0,"Invalid WP multiplicities - A14B6C2D_tI92_87_4h15i_3h4i_h_e:H-N-Na-Ni, expected Na2Ni(H34N11)2 to be Na2Ni(H7N3)2" +mp-1210175,NaNi2(MoO5)2,-7.090050532,-1.4873181329,0.1481212429,0.1481212429,GGA+U,C2/m,A2BC2D10_mC30_12_i_a_f_3ij:Mo-Na-Ni-O,15.0,A2BC2D10_mC30_12_i_a_e_3ij:Mo-Na-Ni-O +mp-744187,Na2Ni4Mo4(HO4)5,-6.7126084446,-1.4255912389,0.2706040428,0.2706040428,GGA+U,P-1,A5B4C2D4E20_aP35_2_c2i_2i_i_bei_10i:H-Mo-Na-Ni-O,35.0,"Invalid WP multiplicities - A5B4C2D4E20_aP35_2_c4i_4i_i_bei_20i:H-Mo-Na-Ni-O, expected Na2Ni4Mo8H9O40 to be Na2Ni4Mo4(HO4)5" +mp-1173788,Na2Ni4Mo4(HO4)5,-6.9539716589000005,-1.6669544532,0.0292408285,0.0292408285,GGA+U,P-1,A5B4C2D4E20_aP35_2_c2i_2i_i_bei_10i:H-Mo-Na-Ni-O,35.0,"Invalid WP multiplicities - A5B4C2D4E20_aP35_2_c4i_4i_i_bei_20i:H-Mo-Na-Ni-O, expected Na2Ni4Mo8H9O40 to be Na2Ni4Mo4(HO4)5" +mp-693689,Na2Ni4Mo4(HO4)5,-6.52105512,-1.2340379144,0.4621573674,0.4621573674,GGA+U,P-1,A5B4C2D4E20_aP35_2_c2i_2i_i_bei_10i:H-Mo-Na-Ni-O,35.0,"Invalid WP multiplicities - A5B4C2D4E20_aP35_2_c4i_4i_i_bei_20i:H-Mo-Na-Ni-O, expected Na2Ni4Mo8H9O40 to be Na2Ni4Mo4(HO4)5" +mp-1220997,NaNi2Mo2H3O10,-6.9407192728,-1.7063212661,0.0,-0.0233121881,GGA+U,C2/m,A3B2CD2E10_mC36_12_ai_i_c_e_3ij:H-Mo-Na-Ni-O,18.0,A3B2CD2E10_mC36_12_ci_i_b_e_3ij:H-Mo-Na-Ni-O +mp-1195146,Na4NiMo6(H19O20)2,-6.0489542542,-1.5215915949,0.0255889973,0.0255889973,GGA+U,P-1,A38B6C4DE40_aP89_2_19i_3i_2i_a_20i:H-Mo-Na-Ni-O,89.0,A38B6C4DE40_aP89_2_19i_3i_2i_a_20i:H-Mo-Na-Ni-O +mp-1188137,CdHgSBr,-2.2379258394,-0.5089137589,0.3000319756,0.3000319756,GGA,Cmmm,ABCD_oC32_65_abg_p_hj_q:Br-Cd-Hg-S,16.0,ABCD_oC32_65_abg_p_hj_q:Br-Cd-Hg-S +mp-557580,CdHg4C6S6(Br2N3)2,-5.3327821611,-0.2009530409,0.1860916901,0.1860916901,GGA,Fmm2,A4B6CD4E6F6_oF108_42_e_ce_a_e_ce_ce:Br-C-Cd-Hg-N-S,27.0,"Invalid WP multiplicities - A4B6CD4E6F6_oF108_42_e_c2e_a_e_2c2e_c2e:Br-C-Cd-Hg-N-S, expected CdHg4C10S10(BrN3)4 to be CdHg4C6S6(Br2N3)2" +mp-1199939,Cd2C9Br7N3,-4.7094385079,1.0422020654,1.4626921529,1.4626921529,GGA,P6_3mc,A7B9C2D3_hP42_186_b2c_cd_ab_c:Br-C-Cd-N,42.0,A7B9C2D3_hP42_186_b2c_cd_ab_c:Br-C-Cd-N +mp-1102642,CdCBr3N,-3.7682514883,0.0896043729,0.7959238270000001,0.7959238270000001,GGA,Cmc2_1,A3BCD_oC24_36_ab_a_a_a:Br-C-Cd-N,12.0,A3BCD_oC24_36_ab_a_a_a:Br-C-Cd-N +mp-727059,CdC2(Br2N)2,-4.9239980144,-0.2278509128,0.2824129887,0.2824129887,GGA,P2_1/c,A4B2CD2_mP36_14_4e_2e_e_2e:Br-C-Cd-N,36.0,A4B2CD2_mP36_14_4e_2e_e_2e:Br-C-Cd-N +mp-29870,Ir(Cl2F3)2,-3.6936415918,-1.175327535,0.0,-0.0125350159,GGA,P2_1/c,A4B6C_mP22_14_2e_3e_a:Cl-F-Ir,22.0,A4B6C_mP22_14_2e_3e_a:Cl-F-Ir +mp-1203024,Sb2IrC3O3F13,-5.9314437305,-2.0918198282,0.1113185385,0.1113185385,GGA,P-1,A3B13CD3E2_aP44_2_3i_13i_i_3i_2i:C-F-Ir-O-Sb,44.0,A3B13CD3E2_aP44_2_3i_13i_i_3i_2i:C-F-Ir-O-Sb +mp-1202713,IrClOF6,-4.4354859879,-1.4240933928,0.0579658903,0.0579658903,GGA,P2_1/c,AB6CD_mP72_14_2e_12e_2e_2e:Cl-F-Ir-O,72.0,AB6CD_mP72_14_2e_12e_2e_2e:Cl-F-Ir-O +mp-555612,Sb4IrC5ClO5F22,-5.8129113108,-2.1252196238,0.1075154996,0.1075154996,GGA,P2_1,A5BC22DE5F4_mP76_4_5a_a_22a_a_5a_4a:C-Cl-F-Ir-O-Sb,76.0,"Invalid WP multiplicities - A5BC22DE5F4_mP76_4_9a_a_43a_a_9a_5a:C-Cl-F-Ir-O-Sb, expected Sb5IrC9ClO9F43 to be Sb4IrC5ClO5F22" +mp-557748,SbIrC2(OF3)2,-6.3310350509,-1.9321169149,0.0884864099,0.0884864099,GGA,P-4n2,A2B6CD2E_tP96_118_2i_ef5i_i_2i_i:C-F-Ir-O-Sb,96.0,"Invalid WP multiplicities - A2B6CD2E_tP96_118_8i_4e3f33i_i_11i_i:C-F-Ir-O-Sb, expected Sb2Ir2C16O22F73 to be SbIrC2(OF3)2" +mp-1220987,NaLiMnS2,-5.169233716,-1.0359610788,0.1244277375,0.1244277375,GGA,P3m1,ABCD2_hP5_156_a_b_c_ab:Li-Mn-Na-S,5.0,ABCD2_hP5_156_a_b_c_ab:Li-Mn-Na-S +mp-1176431,Na4Mn2C4SO16,-7.3033143328,-1.9769342226,0.0347071773,0.0347071773,GGA+U,P1,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Mn-Na-O-S,54.0,A4B2C4D16E_aP54_1_8a_4a_8a_32a_2a:C-Mn-Na-O-S +mp-1176548,Na4Mn2C4SO16,-7.2984117444,-1.9720316343,0.0396097656,0.0396097656,GGA+U,F222,A4B2C4D16E_oF216_22_2k_k_efgh_8k_ac:C-Mn-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_22_2k_k_2ef2g2h_18k_ac:C-Mn-Na-O-S, expected Na7Mn2C4SO36 to be Na4Mn2C4SO16" +mp-777623,Na4Mn2C4SO16,-7.3088995152,-1.982519405,0.0291219949,0.0291219949,GGA+U,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Mn-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_15h_b:C-Mn-Na-O-S, expected Na10Mn2C4SO60 to be Na4Mn2C4SO16" +mp-770761,Li2MnCSO7,-7.2002173535,-2.1192342399,0.0687639779,0.0687639779,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-S,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-S +mp-780526,Li2MnCSO7,-7.2008569358,-2.1198738222,0.0681243956,0.0681243956,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-S,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Li-Mn-O-S +mp-776592,Li19Mn8C16(SO16)4,-7.3671114586,-2.0485692813,0.0658791976,0.0658791976,GGA+U,P1,A16B19C8D64E4_aP111_1_16a_19a_8a_64a_4a:C-Li-Mn-O-S,111.0,A16B19C8D64E4_aP111_1_16a_19a_8a_64a_4a:C-Li-Mn-O-S +mp-759748,Na2Li4Mn2C4SO16,-7.2350752347,-2.103940619,0.0549553584,0.0549553584,GGA+U,Fddd,A4B4C2D2E16F_oF232_70_h_h_c_e_4h_b:C-Li-Mn-Na-O-S,58.0,"Invalid WP multiplicities - A4B4C2D2E16F_oF232_70_h_h_c_e_15h_b:C-Li-Mn-Na-O-S, expected Na2Li4Mn2C4SO60 to be Na2Li4Mn2C4SO16" +mp-771824,Na2MnCSO7,-7.0758335883,-2.0925834036,0.0367198687,0.0367198687,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Mn-Na-O-S,24.0,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Mn-Na-O-S +mp-754499,LiMnCSO7,-7.3514246955,-1.9820724685,0.0440590892,0.0440590892,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Li-Mn-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Li-Mn-O-S, expected LiMnCSO13 to be LiMnCSO7" +mp-770525,Na6Mn2C4SO16,-7.1538182878,-2.103566096,0.0,-0.0158790348,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Mn-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Mn-Na-O-S, expected Na6Mn2C4SO108 to be Na6Mn2C4SO16" +mp-771387,Li6Mn2C4SO16,-7.3037043233,-2.1321284957,0.0510550454,0.0510550454,GGA+U,Fd-3,A4B6C2D16E_cF232_203_e_f_c_eg_b:C-Li-Mn-O-S,58.0,"Invalid WP multiplicities - A4B6C2D16E_cF232_203_e_f_c_2eg_b:C-Li-Mn-O-S, expected Li6Mn2C4SO20 to be Li6Mn2C4SO16" +mp-776358,Li4Mn2C4SO16,-7.4154923557,-2.002238531,0.067914019,0.067914019,GGA+U,Fddd,A4B4C2D16E_oF216_70_h_ef_c_4h_b:C-Li-Mn-O-S,54.0,"Invalid WP multiplicities - A4B4C2D16E_oF216_70_h_3e4f_c_21h_b:C-Li-Mn-O-S, expected Li14Mn2C4SO84 to be Li4Mn2C4SO16" +mp-1211996,K2BaV2ClO7,-6.9096808788,-2.3879160625,0.1431716187,0.1431716187,GGA+U,P6_3/mmc,ABC2D7E2_hP26_194_c_d_f_bk_e:Ba-Cl-K-O-V,26.0,ABC2D7E2_hP26_194_c_d_f_bk_e:Ba-Cl-K-O-V +mp-1214680,Ba2V2CuClO7,-7.3444367558,-2.5305654997,0.0631888675,0.0631888675,GGA+U,P4bm,A2BCD7E2_tP26_100_c_a_a_bcd_c:Ba-Cl-Cu-O-V,26.0,A2BCD7E2_tP26_100_c_a_a_bcd_c:Ba-Cl-Cu-O-V +mp-1223573,KBaV2CuClO7,-7.0907420354,-2.3390689326,0.0221531208,0.0221531208,GGA+U,Cmm2,ABCDE7F2_oC52_35_d_c_c_e_abde2f_de:Ba-Cl-Cu-K-O-V,26.0,"Invalid WP multiplicities - ABCDE7F2_oC52_35_d_c_c_e_abde3f_de:Ba-Cl-Cu-K-O-V, expected KBaV2CuClO9 to be KBaV2CuClO7" +mp-560551,K4V5CuClO15,-7.2773414319,-2.2769875805,0.0054836177,0.0054836177,GGA+U,P4,ABC4D15E5_tP26_75_a_a_d_bc3d_bd:Cl-Cu-K-O-V,26.0,"Invalid WP multiplicities - ABC4D15E5_tP26_75_a_a_d_bc11d_b2d:Cl-Cu-K-O-V, expected K4V9CuClO47 to be K4V5CuClO15" +mp-1223502,KBa2V2ClO7,-7.38410267,-2.8001397003,0.0208845237,0.0208845237,GGA+U,P6_3mc,A2BCD7E2_hP26_186_2b_b_b_a2c_2a:Ba-Cl-K-O-V,26.0,"Invalid WP multiplicities - A2BCD7E2_hP26_186_2b_b_b_a4c_4a:Ba-Cl-K-O-V, expected KBa2V4ClO13 to be KBa2V2ClO7" +mp-1195300,Ba2V2CuClO8,-7.2725094779,-2.4491512607,0.0365155226,0.0365155226,GGA+U,Pnma,A2BCD8E2_oP56_62_2c_c_a_4c2d_2c:Ba-Cl-Cu-O-V,56.0,A2BCD8E2_oP56_62_2c_c_a_4c2d_2c:Ba-Cl-Cu-O-V +mp-1204881,CsMnGa2P3(H2O7)2,-6.8938560646,-2.2867335299,0.0,-0.0105491527,GGA+U,C2/c,AB2C4DE14F3_mC100_15_e_f_2f_e_7f_ef:Cs-Ga-H-Mn-O-P,50.0,AB2C4DE14F3_mC100_15_e_f_2f_e_7f_ef:Cs-Ga-H-Mn-O-P +mp-1200899,Cs2GaP4H3O14,-6.8274960898,-2.4148323029,0.0,-0.0008076166,GGA,P2_1/c,A2BC3D14E4_mP48_14_e_a_de_7e_2e:Cs-Ga-H-O-P,48.0,A2BC3D14E4_mP48_14_e_a_be_7e_2e:Cs-Ga-H-O-P +mp-758167,Mn3Ga4P6(H2O5)6,-6.8845470267,-2.1356085016,0.0177044375,0.0177044375,GGA+U,P2_1/c,A4B12C3D30E6_mP110_14_2e_6e_ae_15e_3e:Ga-H-Mn-O-P,110.0,"Invalid WP multiplicities - A4B12C3D30E6_mP110_14_7e_21e_2a3e_57e_7e:Ga-H-Mn-O-P, expected Mn4Ga7P7(H7O19)3 to be Mn3Ga4P6(H2O5)6" +mp-24181,CsGaP3HO10,-7.0918287638,-2.5278900717,7.25728e-05,-0.0126002335,GGA,C2,ABCD10E3_mC32_5_a_b_b_5c_ac:Cs-Ga-H-O-P,16.0,ABCD10E3_mC32_5_a_b_b_5c_ac:Cs-Ga-H-O-P +mp-1200666,CsGaP3HO10,-7.0919013366,-2.5279626446,0.0,-0.0126728064,GGA,P2/c,ABCD10E3_mP32_13_e_b_a_5g_fg:Cs-Ga-H-O-P,32.0,ABCD10E3_mP32_13_e_b_a_5g_fg:Cs-Ga-H-O-P +mp-703308,CsGaP3HO10,-7.0914549802,-2.5275162882,0.0004463564,-0.0122264499,GGA,Pca2_1,ABCD10E3_oP64_29_a_a_a_10a_3a:Cs-Ga-H-O-P,64.0,ABCD10E3_oP64_29_a_a_a_10a_3a:Cs-Ga-H-O-P +mp-1204228,NaLiCoPO4F,-6.6649700062,-2.503714198,0.0285549051,0.0285549051,GGA+U,Pnma,ABCDE4F_oP72_62_ab_2c_2c_d_4c2d_2c:Co-F-Li-Na-O-P,72.0,ABCDE4F_oP72_62_ab_2c_2c_d_4c2d_2c:Co-F-Li-Na-O-P +mp-759682,Li3Co2P2(O4F)2,-6.7775927509,-2.4148588198,0.0616109074,0.0616109074,GGA+U,Pca2_1,A2B2C3D8E2_oP68_29_2a_2a_3a_8a_2a:Co-F-Li-O-P,68.0,"Invalid WP multiplicities - A2B2C3D8E2_oP68_29_2a_6a_4a_14a_2a:Co-F-Li-O-P, expected Li2CoPO7F3 to be Li3Co2P2(O4F)2" +mp-25390,Li2CoPO4F,-6.7501884367,-2.5237773425,0.0532090967,0.0532090967,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Co-F-Li-O-P,18.0,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Co-F-Li-O-P +mp-770624,Li2CoPO4F,-6.7534872885,-2.5270761943,0.0499102449,0.0499102449,GGA+U,Pbcn,ABC2D4E_oP72_60_d_2c_2d_4d_d:Co-F-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_60_d_6c_5d_13d_d:Co-F-Li-O-P, expected Li5CoPO13F3 to be Li2CoPO4F" +mp-770853,Li2CoPO4F,-6.7674030087,-2.5409919146,0.0359945246,0.0359945246,GGA+U,Pnma,ABC2D4E_oP72_62_ab_2c_2cd_4c2d_2c:Co-F-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_62_2a2b_5c_7c2d_13c8d_5c:Co-F-Li-O-P, expected Li11Co4P5O29F5 to be Li2CoPO4F" +mp-776411,LiCoPO4F,-6.8103699077,-2.2942727851,0.0691156411,0.0691156411,GGA+U,P1,ABCD4E_aP64_1_8a_8a_8a_32a_8a:Co-F-Li-O-P,64.0,ABCD4E_aP64_1_8a_8a_8a_32a_8a:Co-F-Li-O-P +mp-818178,LiCoPO4F,-3.8045464056,0.711550717,3.0749391431,3.0749391431,GGA+U,P-1,ABCD4E_aP16_2_be_i_i_4i_i:Co-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_be_i_i_6i_i:Co-F-Li-O-P, expected LiCoPO6F to be LiCoPO4F" +mp-25465,LiCoPO4F,-6.8678391156,-2.351741993,0.0116464331,0.0116464331,GGA+U,P-1,ABCD4E_aP16_2_ab_i_i_4i_i:Co-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_be_i_i_6i_i:Co-F-Li-O-P, expected LiCoPO6F to be LiCoPO4F" +mp-758908,LiCoPO4F,-6.7941233722,-2.2780262496,0.0853621766,0.0853621766,GGA+U,Pc,ABCD4E_mP64_7_4a_4a_4a_16a_4a:Co-F-Li-O-P,64.0,"Invalid WP multiplicities - ABCD4E_mP64_7_4a_7a_4a_16a_4a:Co-F-Li-O-P, expected Li4Co4P4O16F7 to be LiCoPO4F" +mp-10537,Na2CoPO4F,-6.5652961661,-2.4691956438,0.0125332275,0.0125332275,GGA+U,Pbcn,ABC2D4E_oP72_60_d_2c_2d_4d_d:Co-F-Na-O-P,72.0,ABC2D4E_oP72_60_d_2c_2d_4d_d:Co-F-Na-O-P +mp-2230366,Na3MgTi2P2O10F,-7.2303235284,-2.8322282096,0.1605307298,0.1605307298,GGA,Cm,ABC3D10E2F2_mC38_8_a_a_3a_5b_b_b:F-Mg-Na-O-P-Ti,19.0,"Invalid WP multiplicities - ABC3D10E2F2_mC38_8_a_a_3a_10b_b_b:F-Mg-Na-O-P-Ti, expected Na3MgTi2P2O20F to be Na3MgTi2P2O10F" +mp-2230710,Na3MgTi2P2O10F,-7.2305042684,-2.8324089496,0.1603499898,0.1603499898,GGA,Fmm2,ABC3D10E2F2_oF76_42_a_a_ad_c2e_b_c:F-Mg-Na-O-P-Ti,19.0,"Invalid WP multiplicities - ABC3D10E2F2_oF76_42_a_a_a2d_2c6e_b_c:F-Mg-Na-O-P-Ti, expected Na5MgTi2P2O28F to be Na3MgTi2P2O10F" +mp-559314,Na5TiP2O9F,-6.8044085321,-2.8173862618000003,0.0,-0.0114884172,GGA,Pbca,AB5C9D2E_oP144_61_c_ab4c_9c_2c_c:F-Na-O-P-Ti,144.0,"Invalid WP multiplicities - AB5C9D2E_oP144_61_c_3a4b25c_58c_9c_c:F-Na-O-P-Ti, expected Na57Ti2P18(O58F)2 to be Na5TiP2O9F" +mp-2226777,MgTi2P2(O4F)2,-7.8620758573,-3.0877867426,0.1015981806,0.1015981806,GGA,P1,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:F-Mg-O-P-Ti,15.0,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:F-Mg-O-P-Ti +mp-41191,Na3Ti2P2O10F,-7.5489543967,-2.9954248963000003,0.0043393912,0.0043393912,GGA,Fmm2,AB3C10D2E2_oF72_42_a_ad_c2e_b_c:F-Na-O-P-Ti,18.0,"Invalid WP multiplicities - AB3C10D2E2_oF72_42_a_a2d_2c6e_b_c:F-Na-O-P-Ti, expected Na5Ti2P2O28F to be Na3Ti2P2O10F" +mp-1246662,CuSi7N10,-7.9553532892,-0.9863876153,0.1928725278,0.1928725278,GGA,Pc,AB10C7_mP36_7_a_10a_7a:Cu-N-Si,36.0,AB10C7_mP36_7_a_10a_7a:Cu-N-Si +mp-1078469,CuPN2,-6.8612344662,-0.3148597096,0.0340584154,0.0340584154,GGA,I-42d,AB2C_tI16_122_a_d_b:Cu-N-P,8.0,AB2C_tI16_122_a_d_b:Cu-N-P +mp-1246214,CuSiN2,-7.023677282,-0.4742986445,0.2837971617,0.2837971617,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Cu-N-Si,64.0,AB2C_oP64_61_2c_4c_2c:Cu-N-Si +mp-1247244,CuSi2N3,-7.5460398575,-0.88615194,0.1246424683,0.1246424683,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Cu-N-Si,12.0,AB3C2_oC24_36_a_ab_b:Cu-N-Si +mp-1202403,Na2U2ZnH8(C3O7)4,-7.4874383109,-1.7727082656,0.0850667881,0.0850667881,GGA,P-1,A12B8C2D28E2F_aP53_2_6i_4i_i_14i_i_a:C-H-Na-O-U-Zn,53.0,A12B8C2D28E2F_aP53_2_6i_4i_i_14i_i_a:C-H-Na-O-U-Zn +mp-1204626,NaU2H5C4O15,-7.7427478981,-2.1137120397,0.050015666,0.050015666,GGA,Pnma,A4B5CD15E2_oP108_62_2d_c2d_c_3c6d_d:C-H-Na-O-U,108.0,A4B5CD15E2_oP108_62_2d_c2d_c_3c6d_d:C-H-Na-O-U +mp-1201393,Na6UH24C5O27,-6.1026498429,-1.652556041,0.0564403235,0.0564403235,GGA,P-1,A5B24C6D27E_aP126_2_5i_24i_6i_27i_i:C-H-Na-O-U,126.0,A5B24C6D27E_aP126_2_5i_24i_6i_27i_i:C-H-Na-O-U +mp-2713252,Na2ZnSnP2SO12,-6.6232824218,-2.2949831866,0.0717751788,0.0717751788,GGA,Cc,A2B12C2DEF_mC76_9_2a_12a_2a_a_a_a:Na-O-P-S-Sn-Zn,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC76_9_2a_60a_7a_a_a_a:Na-O-P-S-Sn-Zn, expected Na2ZnSnP7SO60 to be Na2ZnSnP2SO12" +mp-2714831,Na5Zn3SnP3(SO8)3,-6.3696494805,-2.2216695999,0.0690728938,0.0690728938,GGA,P1,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-P-S-Sn-Zn,117.0,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-P-S-Sn-Zn +mp-2712526,Na3Zn3SnPS5O24,-6.2646773245,-2.0329892305,0.0333367138,0.0333367138,GGA,P1,A3B24CD5EF3_aP111_1_9a_72a_3a_15a_3a_9a:Na-O-P-S-Sn-Zn,111.0,A3B24CD5EF3_aP111_1_9a_72a_3a_15a_3a_9a:Na-O-P-S-Sn-Zn +mp-2712805,Na6Zn3SnP4(SO12)2,-6.4216701598,-2.3124053279,0.0713110441,0.0713110441,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-S-Sn-Zn,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-S-Sn-Zn +mp-2716041,Na3ZnSn3P5SO24,-6.9230442508,-2.404678669,0.0422045342,0.0422045342,GGA,P1,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Sn-Zn,111.0,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Sn-Zn +mp-2712540,Na2ZnSn3P4(SO12)2,-6.8733534963,-2.3016827021,0.0290651356,0.0290651356,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Sn-Zn,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Sn-Zn +mp-2713807,Na3Zn2Sn2P3(SO8)3,-6.5935949736,-2.2185681357,0.0426627803,0.0426627803,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Sn-Zn,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Sn-Zn +mp-2714503,NaZnSnP(SO6)2,-6.5231043977,-2.0987539791,0.0312822752,0.0312822752,GGA,Cc,AB12CD2EF_mC216_9_3a_36a_3a_6a_3a_3a:Na-O-P-S-Sn-Zn,108.0,"Invalid WP multiplicities - AB12CD2EF_mC216_9_3a_60a_3a_9a_3a_3a:Na-O-P-S-Sn-Zn, expected NaZnSnPS3O20 to be NaZnSnP(SO6)2" +mp-2716305,NaZnSn3P3(SO8)3,-6.8048247937,-2.1768027749,0.019776776,0.019776776,GGA,P1,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Sn-Zn,105.0,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Sn-Zn +mp-2712976,ZnSn3P2(SO6)4,-6.7280936647,-2.0404056434,0.0107741222,0.0107741222,GGA,P1,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Sn-Zn,102.0,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Sn-Zn +mp-2715146,Na5Zn2Sn2P5SO24,-6.6768752426,-2.392907323,0.0668065212,0.0668065212,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Zn,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Zn +mp-2714025,NaZn2Sn2PS5O24,-6.452861465,-1.9763689755,0.0137643754,0.0137643754,GGA,P1,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Sn-Zn,105.0,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Sn-Zn +mp-2716010,Na7Zn3SnP5SO24,-6.4698953915,-2.3974570693,0.0627625546,0.0627625546,GGA,P1,A7B24C5DEF3_aP123_1_21a_72a_15a_3a_3a_9a:Na-O-P-S-Sn-Zn,123.0,A7B24C5DEF3_aP123_1_21a_72a_15a_3a_3a_9a:Na-O-P-S-Sn-Zn +mp-2713137,Na4Zn3SnP2(SO6)4,-6.315764371,-2.1270318076,0.0622427864,0.0622427864,GGA,P1,A4B24C2D4EF3_aP114_1_12a_72a_6a_12a_3a_9a:Na-O-P-S-Sn-Zn,114.0,A4B24C2D4EF3_aP114_1_12a_72a_6a_12a_3a_9a:Na-O-P-S-Sn-Zn +mp-2229343,CsMgMnP3HO10,-7.0994414535,-2.3490168423,0.2550603374,0.2550603374,GGA+U,P1,ABCDE10F3_aP17_1_a_a_a_a_10a_3a:Cs-H-Mg-Mn-O-P,17.0,ABCDE10F3_aP17_1_a_a_a_a_10a_3a:Cs-H-Mg-Mn-O-P +mp-2229931,CsMgMnP3HO10,-7.1451729571,-2.3947483458,0.2093288339,0.2093288339,GGA+U,P1,ABCDE10F3_aP17_1_a_a_a_a_10a_3a:Cs-H-Mg-Mn-O-P,17.0,ABCDE10F3_aP17_1_a_a_a_a_10a_3a:Cs-H-Mg-Mn-O-P +mp-866620,Cs2MgP4(HO2)8,-6.4563678387,-2.219815498,0.0,-0.0006790776,GGA,P-1,A2B8CD16E4_aP31_2_i_4i_a_8i_2i:Cs-H-Mg-O-P,31.0,"Invalid WP multiplicities - A2B8CD16E4_aP31_2_i_7i_a_15i_3i:Cs-H-Mg-O-P, expected Cs2MgP6(H7O15)2 to be Cs2MgP4(HO2)8" +mp-761178,CsMgP(H6O5)2,-5.6647738256,-1.7412304424,0.0,-0.0022702813,GGA,F-43m,AB12CD10E_cF100_216_a_h_c_eg_b:Cs-H-Mg-O-P,25.0,"Invalid WP multiplicities - AB12CD10E_cF100_216_a_h_c_4e4g_b:Cs-H-Mg-O-P, expected CsMgP(H3O10)4 to be CsMgP(H6O5)2" +mp-2224767,MgMn2P2(HO5)2,-7.4569056865,-2.3390671659,0.0337049443,0.0337049443,GGA+U,P1,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:H-Mg-Mn-O-P,17.0,A2BC2D10E2_aP17_1_2a_a_2a_10a_2a:H-Mg-Mn-O-P +mp-1233746,MgMn2P2(H2O5)2,-7.1388846368,-2.2026369032,0.0642693755,0.0642693755,GGA+U,P1,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Mg-Mn-O-P,19.0,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Mg-Mn-O-P +mp-1233855,MgMn2P2(H2O5)2,-7.1577859374,-2.2215382037,0.045368075,0.045368075,GGA+U,P1,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Mg-Mn-O-P,19.0,A4BC2D10E2_aP19_1_4a_a_2a_10a_2a:H-Mg-Mn-O-P +mp-1215129,AlCu6SClO19,-4.9728045259,-0.3902013869,0.683320177,0.683320177,GGA,P31c,ABC6D19E_hP56_159_b_b_2c_a6c_a:Al-Cl-Cu-O-S,56.0,ABC6D19E_hP56_159_b_b_2c_a6c_a:Al-Cl-Cu-O-S +mp-706670,AlCuH28S2ClO22,-5.4819357369,-1.4493957405,0.0069232588,0.0069232588,GGA,P-1,ABCD28E22F2_aP55_2_b_c_d_14i_11i_i:Al-Cl-Cu-H-O-S,55.0,ABCD28E22F2_aP55_2_b_c_d_14i_11i_i:Al-Cl-Cu-H-O-S +mp-1201631,AlCu6H18SClO19,-5.430434028,-1.3134349693,0.0514202293,0.0514202293,GGA,P31c,ABC6D18E19F_hP92_159_b_b_2c_6c_a6c_a:Al-Cl-Cu-H-O-S,92.0,ABC6D18E19F_hP92_159_b_b_2c_6c_a6c_a:Al-Cl-Cu-H-O-S +mp-1229293,AlCu6H12SClO19,-5.4256463775,-1.2000063667,0.1107145728,0.1107145728,GGA,P31c,ABC6D12E19F_hP80_159_b_b_2c_4c_a6c_a:Al-Cl-Cu-H-O-S,80.0,ABC6D12E19F_hP80_159_b_b_2c_4c_a6c_a:Al-Cl-Cu-H-O-S +mp-1202430,Al2H15SClO13,-5.71237122,-1.6913092791,0.0015486576,0.0015486576,GGA,C2/c,A2BC15D13E_mC128_15_f_e_e7f_e6f_e:Al-Cl-H-O-S,64.0,A2BC15D13E_mC128_15_f_e_e7f_e6f_e:Al-Cl-H-O-S +mp-1199399,TiSi7H48(C8O)2,-5.2483194473,-0.2986492623,0.0829614938,0.0829614938,GGA,P-1,A16B48C2D7E_aP148_2_16i_48i_2i_7i_i:C-H-O-Si-Ti,148.0,A16B48C2D7E_aP148_2_16i_48i_2i_7i_i:C-H-O-Si-Ti +mp-1199188,Ti2Si7H42C14(Cl3O)2,-5.2537265958,-0.5078551107,0.0597170651,0.0597170651,GGA,P2_1/c,A14B6C42D2E7F2_mP292_14_14e_6e_42e_2e_7e_2e:C-Cl-H-O-Si-Ti,292.0,A14B6C42D2E7F2_mP292_14_14e_6e_42e_2e_7e_2e:C-Cl-H-O-Si-Ti +mp-1202315,TiSi7H42C14(ClO)2,-5.2463828996,-0.3763979032,0.0762743935,0.0762743935,GGA,P2_1,A14B2C42D2E7F_mP136_4_14a_2a_42a_2a_7a_a:C-Cl-H-O-Si-Ti,136.0,A14B2C42D2E7F_mP136_4_14a_2a_42a_2a_7a_a:C-Cl-H-O-Si-Ti +mp-1223621,KAlSi3Ni3(HO6)2,-7.1936282023,-2.4382620417,0.0,-0.0058333447,GGA+U,P1,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Al-H-K-Ni-O-Si,22.0,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Al-H-K-Ni-O-Si +mp-1195125,Na5UH3S4O19,-6.5263224045,-2.1946005422,0.0012340421,0.0012340421,GGA,P-1,A3B5C19D4E_aP64_2_3i_bc4i_19i_4i_i:H-Na-O-S-U,64.0,A3B5C19D4E_aP64_2_3i_bc4i_19i_4i_i:H-Na-O-S-U +mp-758635,UH12S2O15,-6.2161871687,-1.7336087369,0.0105417345,0.0105417345,GGA,C2/c,A12B15C2D_mC120_15_6f_e7f_f_e:H-O-S-U,60.0,A12B15C2D_mC120_15_6f_e7f_f_e:H-O-S-U +mp-1203294,UH2(SO5)2,-7.2255172175,-2.1710739544,0.005670352,0.005670352,GGA,P2_1/c,A2B10C2D_mP60_14_2e_10e_2e_e:H-O-S-U,60.0,A2B10C2D_mP60_14_2e_10e_2e_e:H-O-S-U +mp-1196696,Na7UH4S4ClO20,-6.2600528768,-2.1668609417,0.0077226353,0.0077226353,GGA,C2/c,AB4C7D20E4F_mC296_15_f_4f_ae6f_20f_4f_f:Cl-H-Na-O-S-U,148.0,AB4C7D20E4F_mC296_15_f_4f_ae6f_20f_4f_f:Cl-H-Na-O-S-U +mp-1204287,UH8(SO6)2,-6.4047571361,-1.7931752822,0.0408766085,0.0408766085,GGA,Pnma,A8B12C2D_oP92_62_4d_2c5d_d_c:H-O-S-U,92.0,A8B12C2D_oP92_62_4d_2c5d_d_c:H-O-S-U +mp-1210511,Na6UH2(S2O9)2,-6.2997924921,-2.0546889395,0.1997047223,0.1997047223,GGA,P-1,A2B6C18D4E_aP62_2_2i_be5i_18i_4i_i:H-Na-O-S-U,62.0,A2B6C18D4E_aP62_2_2i_be5i_18i_4i_i:H-Na-O-S-U +mp-706594,U2H14S2O19,-6.5587243541,-1.9008603028,0.0106056101,0.0106056101,GGA,Pca2_1,A14B19C2D2_oP148_29_14a_19a_2a_2a:H-O-S-U,148.0,A14B19C2D2_oP148_29_14a_19a_2a_2a:H-O-S-U +mp-1212137,K2Cu(HCl2)2,-3.2584985717,-0.9807648723,0.3854348617,0.3854348617,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-H-K,18.0,A4BC2D2_tP18_136_fg_a_e_d:Cl-Cu-H-K +mp-696384,K2CuH4(Cl2O)2,-4.3258208088,-1.4659413622000002,0.0359223823,0.0359223823,GGA,P4_2/mnm,A4BC4D2E2_tP26_136_fg_a_j_d_e:Cl-Cu-H-K-O,26.0,A4BC4D2E2_tP26_136_fg_a_j_d_e:Cl-Cu-H-K-O +mp-707879,K2Cu5H8(Cl4O3)2,-4.4706726421,-1.2180152231,0.0430867549,0.0430867549,GGA,P2_1/c,A8B5C8D2E6_mP58_14_4e_a2e_4e_e_3e:Cl-Cu-H-K-O,58.0,A8B5C8D2E6_mP58_14_4e_a2e_4e_e_3e:Cl-Cu-H-K-O +mp-42805,KCu2H20N3(Cl2O)4,-4.6140640603000005,-1.0154360053,0.015604295,0.015604295,GGA,P-4,A8B2C20DE3F4_tP38_81_2h_g_5h_a_bcd_2g:Cl-Cu-H-K-N-O,38.0,"Invalid WP multiplicities - A8B2C20DE3F4_tP38_81_5h_g_16h_a_bcd_4g:Cl-Cu-H-K-N-O, expected KCu2H64N3(Cl5O2)4 to be KCu2H20N3(Cl2O)4" +mp-866657,DyAgH2C2SO9,-7.0097262659,-1.9260528793,0.0603100778,0.0603100778,GGA,C2/m,AB2CD2E9F_mC64_12_i_gi_i_2i_5i2j_i:Ag-C-Dy-H-O-S,32.0,AB2CD2E9F_mC64_12_i_gi_i_2i_5i2j_i:Ag-C-Dy-H-O-S +mp-560182,AgH11C4(SO)3,-5.181583266,-0.4399187114,0.2218533356,0.2218533356,GGA,P2_1/c,AB4C11D3E3_mP88_14_e_4e_11e_3e_3e:Ag-C-H-O-S,88.0,"Invalid WP multiplicities - AB4C11D3E3_mP88_14_e_14e_43e_12e_6e:Ag-C-H-O-S, expected AgH43C14(SO2)6 to be AgH11C4(SO)3" +mp-24347,Be2CoH20N2(O3F4)2,-5.3310739545,-1.6365452806,0.0121441719,0.0121441719,GGA+U,P2_1/c,A2BC8D20E2F6_mP78_14_e_a_4e_10e_e_3e:Be-Co-F-H-N-O,78.0,A2BC8D20E2F6_mP78_14_e_a_4e_10e_e_3e:Be-Co-F-H-N-O +mp-1215013,Be2Co(NF7)2,-4.8296945037,-1.7759661395,0.0,-0.1982777932,GGA+U,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:Be-Co-F-N,38.0,A2BC14D2_mP38_14_e_a_7e_e:Be-Co-F-N +mp-1238119,Be2Co(NF7)2,-4.7800187332,-1.7262903689,0.0496757705,-0.1486020227,GGA+U,P2_1/c,A2BC14D2_mP38_14_e_a_7e_e:Be-Co-F-N,38.0,A2BC14D2_mP38_14_e_a_7e_e:Be-Co-F-N +mp-24614,BeH8(NF2)2,-5.2472779495,-1.5672694865,0.0,-0.0032420807,GGA,Pna2_1,AB4C8D2_oP120_33_2a_8a_16a_4a:Be-F-H-N,120.0,"Invalid WP multiplicities - AB4C8D2_oP120_33_4a_10a_19a_9a:Be-F-H-N, expected Be4H19N9F10 to be BeH8(NF2)2" +mp-1238445,BeH8(NF2)2,-5.2390044394,-1.5589959764,0.0082735101,0.0050314294,GGA,Pna2_1,AB4C8D2_oP120_33_2a_8a_16a_4a:Be-F-H-N,120.0,AB4C8D2_oP120_33_2a_8a_16a_4a:Be-F-H-N +mp-604245,BeH8(NF2)2,-5.2375454065,-1.5575369435000002,0.009732543,0.0064904623,GGA,Pnma,AB4C8D2_oP60_62_c_2cd_4c2d_2c:Be-F-H-N,60.0,"Invalid WP multiplicities - AB4C8D2_oP60_62_c_7c4d_13c14d_8c:Be-F-H-N, expected BeH41N8F15 to be BeH8(NF2)2" +mp-695866,BeH8(NF2)2,-5.1807367958,-1.5007283328,0.0665411537,0.0632990729,GGA,Pnma,AB4C8D2_oP60_62_c_2cd_4c2d_2c:Be-F-H-N,60.0,AB4C8D2_oP60_62_c_2cd_4c2d_2c:Be-F-H-N +mp-1214769,Be2CoH6(NF4)2,-4.9194102374,-1.3979196382,0.6788785265,0.6788785265,GGA+U,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-H-N,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-H-N +mp-1238037,Be2CoH6(NF4)2,-4.5568468639,-1.0353562647,1.0414418999,1.0414418999,GGA+U,P2_1/c,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-H-N,38.0,A2BC8D6E2_mP38_14_e_a_4e_3e_e:Be-Co-F-H-N +mp-707175,BeH6(NF2)2,-5.3120787933,-1.5878730352,0.0849185915,0.0849185915,GGA,P2_1/c,AB4C6D2_mP52_14_e_4e_6e_2e:Be-F-H-N,52.0,"Invalid WP multiplicities - AB4C6D2_mP52_14_e_13e_23e_3e:Be-F-H-N, expected BeH23N3F13 to be BeH6(NF2)2" +mp-1204927,BeH10(NF)3,-5.2587192107,-1.2345665641,0.0027850613,0.0027850613,GGA,P2_12_12_1,AB3C10D3_oP68_19_a_3a_10a_3a:Be-F-H-N,68.0,AB3C10D3_oP68_19_a_3a_10a_3a:Be-F-H-N +mp-818426,Be2CoN2(O3F4)2,-4.8910853084,-0.8788696567000001,0.969528791,0.969528791,GGA+U,P2_1/c,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-N-O,38.0,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-N-O +mp-1202073,Be2CoN2(O3F4)2,-4.8897228121000005,-0.8775071604,0.9708912873,0.9708912873,GGA+U,P2_1/c,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-N-O,38.0,A2BC8D2E6_mP38_14_e_a_4e_e_3e:Be-Co-F-N-O +mp-1214936,Be3Co2(NF6)2,-5.4006231862,-1.9771699417,0.6147136596,0.6147136596,GGA+U,P2_13,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-N,76.0,A3B2C12D2_cP76_198_b_2a_4b_2a:Be-Co-F-N +mp-1196899,CoH8N2(OF2)2,-5.2566073918,-1.2294068449,0.190803637,0.190803637,GGA+U,P2_1/c,AB4C8D2E2_mP34_14_a_2e_4e_e_e:Co-F-H-N-O,34.0,AB4C8D2E2_mP34_14_a_2e_4e_e_e:Co-F-H-N-O +mp-1200927,BeH6(NF)2,-5.3841341382,-1.3303416909,0.0,-0.0269522158,GGA,P2_1/c,AB2C6D2_mP44_14_e_2e_6e_2e:Be-F-H-N,44.0,AB2C6D2_mP44_14_e_2e_6e_2e:Be-F-H-N +mp-696961,BeH4NF3,-5.3624812422,-1.8756758119,0.0224917058,0.0224917058,GGA,Pc,AB3C4D_mP36_7_2a_6a_8a_2a:Be-F-H-N,36.0,"Invalid WP multiplicities - AB3C4D_mP36_14_e_6e_8e_e:Be-F-H-N, expected BeH8NF6 to be BeH4NF3" +mp-723049,BeH4NF3,-5.3076709028,-1.8208654725,0.0773020452,0.0773020452,GGA,P2_12_12_1,AB3C4D_oP36_19_a_3a_4a_a:Be-F-H-N,36.0,AB3C4D_oP36_19_a_3a_4a_a:Be-F-H-N +mp-2712696,Na3TiZn3PS5O24,-6.4977590827,-2.1610461195,0.0290489283,0.0290489283,GGA,P1,A3B24CD5EF3_aP111_1_9a_72a_3a_15a_3a_9a:Na-O-P-S-Ti-Zn,111.0,A3B24CD5EF3_aP111_1_9a_72a_3a_15a_3a_9a:Na-O-P-S-Ti-Zn +mp-2713812,Na3Ti2Zn2P3(SO8)3,-7.0534387811,-2.4683622047,0.0317032634,0.0317032634,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Ti-Zn,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Ti-Zn +mp-2714252,NaTi2Zn2PS5O24,-6.9437838307,-2.2452387604,0.0122283244,0.0122283244,GGA,P1,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Ti-Zn,105.0,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Ti-Zn +mp-2714975,Na5Ti2Zn2P5SO24,-7.1031423534,-2.6198964767,0.0664039938,0.0664039938,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Zn,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Zn +mp-2715975,Na7TiZn3P5SO24,-6.6755861859,-2.5083693231,0.0593774471,0.0593774471,GGA,P1,A7B24C5DEF3_aP123_1_21a_72a_15a_3a_3a_9a:Na-O-P-S-Ti-Zn,123.0,A7B24C5DEF3_aP123_1_21a_72a_15a_3a_3a_9a:Na-O-P-S-Ti-Zn +mp-2713111,Ti3ZnP2(SO6)4,-7.4907336982,-2.4601703685,0.0015753102,0.0015753102,GGA,P1,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Ti-Zn,102.0,A24B2C4D3E_aP102_1_72a_6a_12a_9a_3a:O-P-S-Ti-Zn +mp-2715915,Na3Ti3ZnP5SO24,-7.6010626703,-2.7676224808,0.0375125506,0.0375125506,GGA,P1,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Ti-Zn,111.0,A3B24C5DE3F_aP111_1_9a_72a_15a_3a_9a_3a:Na-O-P-S-Ti-Zn +mp-2713247,Na2TiZnP2SO12,-7.06301104,-2.5301896911,0.0691181066,0.0691181066,GGA,Cc,A2B12C2DEF_mC76_9_2a_12a_2a_a_a_a:Na-O-P-S-Ti-Zn,114.0,"Invalid WP multiplicities - A2B12C2DEF_mC76_9_2a_60a_7a_a_a_a:Na-O-P-S-Ti-Zn, expected Na2TiZnP7SO60 to be Na2TiZnP2SO12" +mp-2716446,NaTi3ZnP3(SO8)3,-7.541200795,-2.5800999052,0.0114273244,0.0114273244,GGA,P1,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Ti-Zn,105.0,AB24C3D3E3F_aP105_1_3a_72a_9a_9a_9a_3a:Na-O-P-S-Ti-Zn +mp-2714682,Na5TiZn3P3(SO8)3,-6.5856902917,-2.3380714326,0.0659643743,0.0659643743,GGA,P1,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-P-S-Ti-Zn,117.0,A5B24C3D3EF3_aP117_1_15a_72a_9a_9a_3a_9a:Na-O-P-S-Ti-Zn +mp-2712813,Na6TiZn3P4(SO12)2,-6.6318867963,-2.4254739603,0.068703392,0.068703392,GGA,P1,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-S-Ti-Zn,120.0,A6B24C4D2EF3_aP120_1_18a_72a_12a_6a_3a_9a:Na-O-P-S-Ti-Zn +mp-2713151,Na4TiZn3P2(SO6)4,-6.5382810635,-2.2472874432,0.0582618669,0.0582618669,GGA,P1,A4B24C2D4EF3_aP114_1_12a_72a_6a_12a_3a_9a:Na-O-P-S-Ti-Zn,114.0,A4B24C2D4EF3_aP114_1_12a_72a_6a_12a_3a_9a:Na-O-P-S-Ti-Zn +mp-2712748,Na2Ti3ZnP4(SO12)2,-7.579378143,-2.6838806686,0.0199357329,0.0199357329,GGA,P1,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Ti-Zn,108.0,A2B24C4D2E3F_aP108_1_6a_72a_12a_6a_9a_3a:Na-O-P-S-Ti-Zn +mp-2714585,NaTiZnP(SO6)2,-6.9873037323,-2.3470688603,0.0381668314,0.0381668314,GGA,Cc,AB12CD2EF_mC216_9_3a_36a_3a_6a_3a_3a:Na-O-P-S-Ti-Zn,108.0,"Invalid WP multiplicities - AB12CD2EF_mC216_9_3a_60a_3a_9a_3a_3a:Na-O-P-S-Ti-Zn, expected NaTiZnPS3O20 to be NaTiZnP(SO6)2" +mp-1199708,TbAgH10C20(N3O4)2,-7.4301020432,-0.5701026596000001,0.2120154793,0.2120154793,GGA,C2/c,AB20C10D6E8F_mC184_15_e_10f_5f_3f_4f_e:Ag-C-H-N-O-Tb,92.0,AB20C10D6E8F_mC184_15_e_10f_5f_3f_4f_e:Ag-C-H-N-O-Tb +mp-1202721,AgH6C2N5O4,-6.1841654272,-0.4555280534,0.3944010728,0.3944010728,GGA,P2_1/c,AB2C6D5E4_mP72_14_e_2e_6e_5e_4e:Ag-C-H-N-O,72.0,AB2C6D5E4_mP72_14_e_2e_6e_5e_4e:Ag-C-H-N-O +mp-1201826,AgH9C2(NO)2,-5.4993669209,-0.5999426293,0.0721401945,0.0721401945,GGA,P2_1/c,AB2C9D2E2_mP64_14_e_2e_9e_2e_2e:Ag-C-H-N-O,64.0,AB2C9D2E2_mP64_14_e_2e_9e_2e_2e:Ag-C-H-N-O +mp-642991,TbH3(CO2)3,-7.3069286785,-1.7547230646,0.0767303989,0.0767303989,GGA,R3m,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Tb,13.0,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Tb +mp-23772,TbAg3H6C6(N2O)3,-6.6267939528,-0.4780171921,0.2908920862,0.2908920862,GGA,P6_3/mcm,A3B6C6D6E3F_hP50_193_f_k_k_k_g_a:Ag-C-H-N-O-Tb,50.0,A3B6C6D6E3F_hP50_193_f_k_k_k_g_a:Ag-C-H-N-O-Tb +mp-1215103,AgH12C6N13O3,-6.7678401787,-0.4212184171,0.0938557839,0.0938557839,GGA,P-1,AB6C12D13E3_aP70_2_i_6i_12i_13i_3i:Ag-C-H-N-O,70.0,AB6C12D13E3_aP70_2_i_6i_12i_13i_3i:Ag-C-H-N-O +mp-1204011,AgH7CN8O7,-6.1197176319,-0.4060057906,0.4488349068,0.4488349068,GGA,P2_1/c,ABC7D8E7_mP96_14_e_e_7e_8e_7e:Ag-C-H-N-O,96.0,ABC7D8E7_mP96_14_e_e_7e_8e_7e:Ag-C-H-N-O +mp-1217856,TbAgH18C20(NO2)6,-6.9227711097,-0.6729687848,0.218480398,0.218480398,GGA,P-1,AB20C18D6E12F_aP116_2_i_20i_18i_6i_12i_i:Ag-C-H-N-O-Tb,116.0,AB20C18D6E12F_aP116_2_i_20i_18i_6i_12i_i:Ag-C-H-N-O-Tb +mp-707277,AgH2C2N3O,-6.8181403957,-0.3701945552,0.1510578577,0.1510578577,GGA,Pbca,AB2C2D3E_oP72_61_c_2c_2c_3c_c:Ag-C-H-N-O,72.0,AB2C2D3E_oP72_61_c_2c_2c_3c_c:Ag-C-H-N-O +mp-698351,AgH6C4(NO)2,-6.2209453465,-0.4429492454,0.2027172744,0.2027172744,GGA,P2/c,AB4C6D2E2_mP60_13_af_2e3g_6g_2g_2g:Ag-C-H-N-O,60.0,AB4C6D2E2_mP60_13_ae_2f3g_6g_2g_2g:Ag-C-H-N-O +mp-1194953,TbH(CO2)3,-8.0014118973,-2.0565736345,0.0,-0.0014767702,GGA,Pnma,A3BC6D_oP44_62_cd_c_2c2d_c:C-H-O-Tb,44.0,A3BC6D_oP44_62_cd_c_2c2d_c:C-H-O-Tb +mp-707364,AgH3CN3O4,-6.1974339959,-0.611130725,0.3644280279,0.3644280279,GGA,P2_1/c,ABC3D3E4_mP96_14_2e_2e_6e_6e_8e:Ag-C-H-N-O,96.0,ABC3D3E4_mP96_14_2e_2e_6e_6e_8e:Ag-C-H-N-O +mp-1190242,TbH9C5(NO4)2,-6.758470236,-1.2561211357,0.0988371746,0.0988371746,GGA,C2,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Tb,25.0,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Tb +mp-1196868,Ag2H2C2N6O13,-6.3533456977,-0.5439929826000001,0.3934081665,0.3934081665,GGA,Pna2_1,A2B2C2D6E13_oP100_33_2a_2a_2a_6a_13a:Ag-C-H-N-O,100.0,A2B2C2D6E13_oP100_33_2a_2a_2a_6a_13a:Ag-C-H-N-O +mp-1196220,TbH7C4O11,-6.9208212876,-1.7159653655,0.0002010675,0.0002010675,GGA,P4_2/n,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Tb,92.0,A4B7C11D_tP92_86_2g_f3g_e5g_e:C-H-O-Tb +mp-560619,AgH12C6N5O3,-5.998601905,-0.2415721918,0.3743405986,0.3743405986,GGA,Pna2_1,AB6C12D5E3_oP108_33_a_6a_12a_5a_3a:Ag-C-H-N-O,108.0,"Invalid WP multiplicities - AB6C12D5E3_oP108_33_a_19a_44a_16a_9a:Ag-C-H-N-O, expected AgH44C19N16O9 to be AgH12C6N5O3" +mp-1203711,Tb6H44N8O51,-6.1078067285,-1.5568046528,0.0,-0.0077579792,GGA,P-1,A44B8C51D6_aP218_2_44i_8i_bd50i_6i:H-N-O-Tb,218.0,A44B8C51D6_aP218_2_44i_8i_bd50i_6i:H-N-O-Tb +mp-1205052,Mo2P4C14SNCl4,-6.3766380069,1.0238588613,1.4447188278,1.4447188278,GGA,P-1,A14B4C2DE4F_aP52_2_14i_4i_2i_i_4i_i:C-Cl-Mo-N-P-S,52.0,A14B4C2DE4F_aP52_2_14i_4i_2i_i_4i_i:C-Cl-Mo-N-P-S +mp-582976,MoP2NCl12,-4.4417533766,-1.1798040035,0.0,-0.0320601459,GGA,P2_1/c,A12BCD2_mP64_14_12e_e_e_2e:Cl-Mo-N-P,64.0,"Invalid WP multiplicities - A12BCD2_mP64_14_47e_e_e_6e:Cl-Mo-N-P, expected MoP6NCl47 to be MoP2NCl12" +mp-652353,PC2S2N3,-7.3029946844,-0.1588674343,0.1245248809,0.1245248809,GGA,P-1,A2B3CD2_aP32_2_4i_6i_2i_4i:C-N-P-S,32.0,"Invalid WP multiplicities - A2B3CD2_aP32_2_7i_11i_3i_6i:C-N-P-S, expected P3C7S6N11 to be PC2S2N3" +mp-672315,PC2S2N3,-7.3003527827,-0.1562255327,0.1271667825,0.1271667825,GGA,P-1,A2B3CD2_aP48_2_6i_9i_3i_6i:C-N-P-S,48.0,"Invalid WP multiplicities - A2B3CD2_aP48_2_12i_17i_6i_11i:C-N-P-S, expected P6C12S11N17 to be PC2S2N3" +mp-680326,PC2S2N3,-7.2943692236,-0.1502419736,0.1331503416,0.1331503416,GGA,P2_1/c,A2B3CD2_mP192_14_12e_18e_6e_12e:C-N-P-S,192.0,"Invalid WP multiplicities - A2B3CD2_mP192_14_46e_70e_20e_45e:C-N-P-S, expected P20C46(S9N14)5 to be PC2S2N3" +mp-1203037,KTi2H2F11,-6.0008228516,-3.2062538695,0.0,-0.0280376675,GGA,P-1,A11B2CD2_aP64_2_22i_4i_2i_4i:F-H-K-Ti,64.0,A11B2CD2_aP64_2_22i_4i_2i_4i:F-H-K-Ti +mp-703589,K4Ti2H2O5F8,-5.963877896,-2.7713394575,0.0173299479,0.0173299479,GGA,C2/c,A8B2C4D5E2_mC84_15_4f_f_2f_e2f_f:F-H-K-O-Ti,42.0,A8B2C4D5E2_mC84_15_4f_f_2f_e2f_f:F-H-K-O-Ti +mp-703516,K2TiH2O3F4,-5.8768162244,-2.5945058907,0.0058365916,0.0058365916,GGA,P2_1/c,A4B2C2D3E_mP48_14_4e_2e_2e_3e_e:F-H-K-O-Ti,48.0,A4B2C2D3E_mP48_14_4e_2e_2e_3e_e:F-H-K-O-Ti +mp-1181798,KNaTiH2O3F4,-5.5542975942,-2.2543100649,0.3272127661,0.3272127661,GGA,P2_1/c,A4B2CDE3F_mP48_14_4e_2e_e_e_3e_e:F-H-K-Na-O-Ti,48.0,A4B2CDE3F_mP48_14_4e_2e_e_e_3e_e:F-H-K-Na-O-Ti +mp-1212264,KNaTiH2O3F4,-5.8593695885,-2.5593820593,0.0221407718,0.0221407718,GGA,P2_1/c,A4B2CDE3F_mP48_14_4e_2e_e_e_3e_e:F-H-K-Na-O-Ti,48.0,A4B2CDE3F_mP48_14_4e_2e_e_e_3e_e:F-H-K-Na-O-Ti +mp-1191204,K2TiHF7,-5.6860691114,-3.2415810452,0.0,-0.0124509728,GGA,P2_1/m,A7BC2D_mP22_11_3e2f_e_2e_e:F-H-K-Ti,22.0,A7BC2D_mP22_11_3e2f_e_2e_e:F-H-K-Ti +mp-777849,Nb3P6WO24,-8.5014230909,-2.7819410479,0.0,-0.0109530517,GGA+U,R3,A3B24C6D_hR102_146_3a_8b_2b_a:Nb-O-P-W,34.0,"Invalid WP multiplicities - A3B24C6D_hR102_146_3a_20b_2b_a:Nb-O-P-W, expected Nb3P6WO60 to be Nb3P6WO24" +mp-773089,K3Li2Nb6(PO8)3,-8.1946466042,-2.8599805673,0.0326534823,0.0326534823,GGA,R3,A3B2C6D24E3_hR114_146_b_2a_2b_8b_b:K-Li-Nb-O-P,38.0,"Invalid WP multiplicities - A3B2C6D24E3_hR114_146_b_2a_4b_24b_b:K-Li-Nb-O-P, expected K3Li2Nb12(PO24)3 to be K3Li2Nb6(PO8)3" +mp-695505,K2LiNb6(PO8)3,-8.4766476539,-2.9294813319,0.0,-0.0043742464,GGA,P1,A2BC6D24E3_aP36_1_2a_a_6a_24a_3a:K-Li-Nb-O-P,36.0,A2BC6D24E3_aP36_1_2a_a_6a_24a_3a:K-Li-Nb-O-P +mp-781788,K2LiNb6(PO8)3,-8.4761659147,-2.9289995928,0.0004817392,-0.0038925073,GGA,P1,A2BC6D24E3_aP72_1_4a_2a_12a_48a_6a:K-Li-Nb-O-P,72.0,A2BC6D24E3_aP72_1_4a_2a_12a_48a_6a:K-Li-Nb-O-P +mp-867642,NbP6(WO8)3,-8.4682668338,-2.5807362503,0.0200379095,0.0200379095,GGA+U,R3,AB24C6D3_hR102_146_a_8b_2b_3a:Nb-O-P-W,34.0,"Invalid WP multiplicities - AB24C6D3_hR102_146_a_20b_2b_3a:Nb-O-P-W, expected NbP6(WO20)3 to be NbP6(WO8)3" +mp-849406,K4Li3Nb18P12(WO42)2,-8.5573953986,-2.8794311922,0.003887856,0.003887856,GGA+U,Pm,A4B3C18D84E12F2_mP123_6_2a2b_3a_4a7c_8a8b34c_4a4c_c:K-Li-Nb-O-P-W,123.0,A4B3C18D84E12F2_mP123_6_2a2b_3a_4a7c_8a8b34c_4a4c_c:K-Li-Nb-O-P-W +mp-572284,SbXeOF9,-3.7494995862,-1.5565683505,0.0964590164,0.0964590164,GGA,P-1,A9BCD_aP48_2_18i_2i_2i_2i:F-O-Sb-Xe,48.0,"Invalid WP multiplicities - A9BCD_aP48_2_35i_3i_4i_4i:F-O-Sb-Xe, expected Sb4Xe4O3F35 to be SbXeOF9" +mp-1006611,Sb4S3N6(OF)12,-5.2045486263,-0.8466476464,0.9495965795,0.9495965795,GGA,P1,A12B6C12D3E4_aP111_1_36a_18a_36a_9a_12a:F-N-O-S-Sb,111.0,A12B6C12D3E4_aP111_1_36a_18a_36a_9a_12a:F-N-O-S-Sb +mp-1199815,SbSN2O4F3,-5.3121489953,-0.7249096586,0.956606949,0.956606949,GGA,Pbca,A3B2C4DE_oP88_61_3c_2c_4c_c_c:F-N-O-S-Sb,88.0,A3B2C4DE_oP88_61_3c_2c_4c_c_c:F-N-O-S-Sb +mp-1209560,Sb2SN2O5F6,-4.9730975989,-0.8937376265,1.0106563909,1.0106563909,GGA,P4_12_12,A6B2C5DE2_tP64_92_3b_b_a2b_a_b:F-N-O-S-Sb,64.0,A6B2C5DE2_tP64_92_3b_b_a2b_a_b:F-N-O-S-Sb +mp-554896,SbXe2OF15,-3.2727761368,-1.2822380945,0.0670879273,0.0670879273,GGA,P2_1/m,A15BCD2_mP38_11_5e5f_e_e_2e:F-O-Sb-Xe,38.0,"Invalid WP multiplicities - A15BCD2_mP38_11_10e17f_e_e_4e:F-O-Sb-Xe, expected SbXe4OF44 to be SbXe2OF15" +mp-650524,Sb3S2XeN(O2F9)2,-4.9365835584,-2.0667232547,0.1405830572,0.1405830572,GGA,P2_1/c,A18BC4D2E3F_mP116_14_18e_e_4e_2e_3e_e:F-N-O-S-Sb-Xe,116.0,"Invalid WP multiplicities - A18BC4D2E3F_mP116_14_68e_e_14e_4e_9e_e:F-N-O-S-Sb-Xe, expected Sb9S4XeN(O7F34)2 to be Sb3S2XeN(O2F9)2" +mp-1219569,SbXeO2F7,-3.9199819218,-1.4255359577,0.2361857568,0.2361857568,GGA,P1,A7B2CD_aP44_1_28a_8a_4a_4a:F-O-Sb-Xe,44.0,A7B2CD_aP44_1_28a_8a_4a_4a:F-O-Sb-Xe +mp-557823,SbXeO2F7,-3.9214969016,-1.4270509375,0.234670777,0.234670777,GGA,P2_1/c,A7B2CD_mP44_14_7e_2e_e_e:F-O-Sb-Xe,44.0,"Invalid WP multiplicities - A7B2CD_mP44_14_26e_8e_e_e:F-O-Sb-Xe, expected SbXe(O4F13)2 to be SbXeO2F7" +mp-560139,S2XeNO4F3,-5.0363873845,-1.203045514,0.3548074056,0.3548074056,GGA,P2_1/c,A3BC4D2E_mP44_14_3e_e_4e_2e_e:F-N-O-S-Xe,44.0,"Invalid WP multiplicities - A3BC4D2E_mP44_14_7e_e_14e_5e_e:F-N-O-S-Xe, expected S5XeN(O2F)7 to be S2XeNO4F3" +mp-1212712,FeS2NO8,-6.4421490942,-1.0544052976,0.5486564143,0.5486564143,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Fe-N-O-S,12.0,ABC8D2_hP12_150_a_b_dg_d:Fe-N-O-S +mp-1191504,FeS2NO8,-6.4701705362,-1.0824267397,0.5206349723,0.5206349723,GGA+U,P6_3,ABC8D2_hP24_173_b_b_ab2c_ab:Fe-N-O-S,24.0,ABC8D2_hP24_173_b_b_ab2c_ab:Fe-N-O-S +mp-1213516,FeS2(NO7)2,-5.9488131776,-0.5451525065,0.6816760593,0.6816760593,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Fe-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Fe-N-O-S +mp-540715,FeH20S2(NO7)2,-5.6707286296,-1.2983164847,0.0020616122,0.0020616122,GGA+U,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Fe-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Fe-H-N-O-S +mp-1181467,FeS6(NO2)9,-5.4857625909,0.3188718661,1.5353182838,1.5353182838,GGA+U,P-1,AB9C18D6_aP34_2_a_d4i_9i_3i:Fe-N-O-S,34.0,"Invalid WP multiplicities - AB9C18D6_aP34_2_a_d7i_18i_6i:Fe-N-O-S, expected FeS12(N5O12)3 to be FeS6(NO2)9" +mp-40778,Fe3H10S2NO14,-6.2996052003,-1.4595931771,0.0374654459,0.0374654459,GGA+U,R3m,A3B10CD14E2_hR90_160_b_a3b_a_2a4b_2a:Fe-H-N-O-S,30.0,"Invalid WP multiplicities - A3B10CD14E2_hR90_160_b_a6b_a_2a6b_2a:Fe-H-N-O-S, expected Fe3H19S2NO20 to be Fe3H10S2NO14" +mp-1194526,Mg2S3(NO6)2,-6.1133958409,-1.2900714154,0.6558462787,0.6558462787,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Mg-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Mg-N-O-S +mp-1213629,FeS2NO20,-5.0990271016,0.0681891523,0.9452644311,0.9452644311,GGA+U,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Fe-N-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Fe-N-O-S +mp-684724,FeH4S2NO8,-6.3867645291,-1.4977751704,0.0,-0.0027866763,GGA+U,R3,AB4CD8E2_hR48_146_a_ab_a_2a2b_2a:Fe-H-N-O-S,64.0,AB4CD8E2_hR48_146_a_ab_a_2a2b_2a:Fe-H-N-O-S +mp-1191501,FeH10S2(NO2)4,-6.0240910112,-1.0805041798,0.0817652534,0.0817652534,GGA+U,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S,25.0,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S +mp-1238696,FeH10S2(NO2)4,-6.0213768577,-1.0777900263,0.0844794069,0.0844794069,GGA+U,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S,100.0,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S +mp-1577282,FeH10S2(NO2)4,-6.0218409338,-1.0782541025,0.0840153308,0.0840153308,GGA+U,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S,100.0,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Fe-H-N-O-S +mp-1225445,FeH8S2NO10,-6.0446394618,-1.4224525827,0.0241438296,0.0241438296,GGA+U,P1,AB8CD10E2_aP22_1_a_8a_a_10a_2a:Fe-H-N-O-S,22.0,AB8CD10E2_aP22_1_a_8a_a_10a_2a:Fe-H-N-O-S +mp-1213033,Fe2S3(NO6)2,-6.6012996561,-1.0548445821,0.5835320047,0.5835320047,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Fe-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Fe-N-O-S +mp-23911,MgH20S2(NO7)2,-5.5816623146,-1.3853973789,0.0015503186,0.0015503186,GGA,P2_1/c,A20BC2D14E2_mP78_14_10e_a_e_7e_e:H-Mg-N-O-S,78.0,"Invalid WP multiplicities - A20BC2D14E2_mP78_14_10e_a_e_11e_e:H-Mg-N-O-S, expected MgH20S2(NO11)2 to be MgH20S2(NO7)2" +mp-1200159,MgFe4H42(S3O23)2,-5.8554252012,-1.5085440022,0.008891002,0.008891002,GGA+U,P-1,A4B42CD46E6_aP99_2_2i_21i_a_23i_3i:Fe-H-Mg-O-S,99.0,A4B42CD46E6_aP99_2_2i_21i_a_23i_3i:Fe-H-Mg-O-S +mp-2229742,MgFeH4S2NO8,-6.1470733918,-1.4515375218,0.2441178013,0.2441178013,GGA+U,P1,AB4CDE8F2_aP17_1_a_4a_a_a_8a_2a:Fe-H-Mg-N-O-S,17.0,AB4CDE8F2_aP17_1_a_4a_a_a_8a_2a:Fe-H-Mg-N-O-S +mp-622785,FeSNO,-6.6653116495,-0.1928979712,0.8078420043000001,0.8078420043000001,GGA+U,P2_1/c,ABCD_mP64_14_4e_4e_4e_4e:Fe-N-O-S,64.0,"Invalid WP multiplicities - ABCD_mP64_14_13e_12e_11e_14e:Fe-N-O-S, expected Fe13S14N12O11 to be FeSNO" +mp-746791,FeH10S2NO11,-5.4034136973,-0.8666036116,0.5626037917,0.5626037917,GGA+U,P2_1/c,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S,100.0,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S +mp-1182816,FeH10S2NO11,-5.7910753919,-1.2542653062,0.1749420971,0.1749420971,GGA+U,P2_1/c,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S,100.0,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S +mp-1205475,FeH10S2NO11,-5.9520792574,-1.4152691717,0.0139382316,0.0139382316,GGA+U,P2_1/c,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S,100.0,AB10CD11E2_mP100_14_e_10e_e_11e_2e:Fe-H-N-O-S +mp-1247820,As2S5N4(OF6)2,-4.9853109406,-1.1382073055,0.5356955201,0.5356955201,GGA,P1,A2B12C4D2E5_aP50_1_4a_24a_8a_4a_10a:As-F-N-O-S,50.0,A2B12C4D2E5_aP50_1_4a_24a_8a_4a_10a:As-F-N-O-S +mp-556837,AgAs(S8F3)2,-4.6361794548,-1.088523368,0.0,-0.2688516521,GGA,C2/c,ABC6D16_mC96_15_e_a_3f_8f:Ag-As-F-S,48.0,"Invalid WP multiplicities - ABC6D16_mC96_15_e_c_8f_28f:Ag-As-F-S, expected AgAs(S7F2)8 to be AgAs(S8F3)2" +mp-1204679,AsS(NO4)2,-5.1871173881,0.2330549295,1.4459540758,1.4459540758,GGA,P2_1/c,AB2C8D_mP48_14_e_2e_8e_e:As-N-O-S,48.0,AB2C8D_mP48_14_e_2e_8e_e:As-N-O-S +mp-649756,AgAsS6N4(OF3)2,-5.3449270789,-0.993996852,0.2627560186,0.2627560186,GGA,Pcca,ABC6D4E2F6_oP80_54_d_c_3f_2f_f_3f:Ag-As-F-N-O-S,80.0,"Invalid WP multiplicities - ABC6D4E2F6_oP80_54_d_c_18f_8f_f_15f:Ag-As-F-N-O-S, expected AgAsS30N16(OF18)2 to be AgAsS6N4(OF3)2" +mp-1196797,AgAsS16N16(O4F3)2,-5.7797862926,-0.402678489,0.4810688113,0.4810688113,GGA,P-1,ABC6D16E8F16_aP96_2_i_i_6i_16i_8i_16i:Ag-As-F-N-O-S,96.0,ABC6D16E8F16_aP96_2_i_i_6i_16i_8i_16i:Ag-As-F-N-O-S +mp-695196,AsS2N2OF9,-4.7520059033,-1.3016720762,0.5480607013000001,0.5480607013000001,GGA,P1,AB9C2DE2_aP30_1_2a_18a_4a_2a_4a:As-F-N-O-S,30.0,AB9C2DE2_aP30_1_2a_18a_4a_2a_4a:As-F-N-O-S +mp-23150,CS2NClO2,-6.0413939789,-0.6728262313000001,0.303896491,0.303896491,GGA,Pca2_1,ABCD2E2_oP28_29_a_a_a_2a_2a:C-Cl-N-O-S,28.0,ABCD2E2_oP28_29_a_a_a_2a_2a:C-Cl-N-O-S +mp-726331,CS4N4ClO2,-5.9659811856000005,-0.0607846237,0.5770986596000001,0.5770986596000001,GGA,P2_12_12_1,ABC4D2E4_oP48_19_a_a_4a_2a_4a:C-Cl-N-O-S,48.0,ABC4D2E4_oP48_19_a_a_4a_2a_4a:C-Cl-N-O-S +mp-1191171,CS(NO)2,-6.7966015429,-0.1413544376,0.8033549063000001,0.8033549063000001,GGA,Pnma,AB2C2D_oP24_62_c_d_d_c:C-N-O-S,24.0,AB2C2D_oP24_62_c_d_d_c:C-N-O-S +mp-1199733,IrCSN6(ClO4)2,-5.2494973405,0.8290869805000001,1.7684961,1.7684961,GGA,P2_1/c,AB2CD6E8F_mP76_14_e_2e_e_6e_8e_e:C-Cl-Ir-N-O-S,76.0,AB2CD6E8F_mP76_14_e_2e_e_6e_8e_e:C-Cl-Ir-N-O-S +mp-1204129,C5S2(NO)2,-6.4114583741,0.9505956685,1.5126409246,1.5126409246,GGA,P2_1/c,A5B2C2D2_mP44_14_5e_2e_2e_2e:C-N-O-S,44.0,A5B2C2D2_mP44_14_5e_2e_2e_2e:C-N-O-S +mp-1182525,CS2N2O,-6.4832278798,0.0369794181,0.6248097380000001,0.6248097380000001,GGA,P2_1/c,AB2CD2_mP48_14_2e_4e_2e_4e:C-N-O-S,48.0,AB2CD2_mP48_14_2e_4e_2e_4e:C-N-O-S +mp-1214254,CS2N2O,-6.5774890417,-0.0572817437,0.5305485761000001,0.5305485761000001,GGA,P2_12_12_1,AB2CD2_oP24_19_a_2a_a_2a:C-N-O-S,24.0,AB2CD2_oP24_19_a_2a_a_2a:C-N-O-S +mp-554110,CSNO3,-7.0921570617,-1.0018776586,0.293824135,0.293824135,GGA,C2/c,ABC3D_mC48_15_f_f_3f_f:C-N-O-S,24.0,"Invalid WP multiplicities - ABC3D_mC48_15_f_f_11f_f:C-N-O-S, expected CSNO11 to be CSNO3" +mp-561081,CuH10C2(NO)8,-6.2966734317,-0.6846297353,0.2678734965,0.2678734965,GGA,P2_1/c,A2BC10D8E8_mP58_14_e_a_5e_4e_4e:C-Cu-H-N-O,58.0,"Invalid WP multiplicities - A2BC10D8E8_mP58_14_e_a_18e_12e_11e:C-Cu-H-N-O, expected CuH36C2(N12O11)2 to be CuH10C2(NO)8" +mp-1203607,CuH5C3NO4,-6.329249971,-0.8383868894000001,0.1785082954,0.1785082954,GGA,P2_1/c,A3BC5DE4_mP112_14_6e_2e_10e_2e_8e:C-Cu-H-N-O,112.0,A3BC5DE4_mP112_14_6e_2e_10e_2e_8e:C-Cu-H-N-O +mp-559038,CuH12C4(NO)6,-6.4012067387,-0.8348038767,0.0427244102,0.0427244102,GGA,P-4n2,A4BC12D6E6_tP116_118_2i_ac_6i_3i_3i:C-Cu-H-N-O,116.0,"Invalid WP multiplicities - A4BC12D6E6_tP116_118_11i_a2c_39i_15i_17i:C-Cu-H-N-O, expected Cu3H156C44(N15O17)4 to be CuH12C4(NO)6" +mp-1201390,CuH12C2(NO2)6,-5.8872239941,-0.6554517432,0.4555250615,0.4555250615,GGA,P2_1/c,A2BC12D6E12_mP66_14_e_a_6e_3e_6e:C-Cu-H-N-O,66.0,A2BC12D6E12_mP66_14_e_a_6e_3e_6e:C-Cu-H-N-O +mp-1213385,Cu2H5C3N3O5,-6.5794082886,-0.8799100456000001,0.0899535633,0.0899535633,GGA,C2/c,A3B2C5D3E5_mC72_15_ef_f_e2f_ef_e2f:C-Cu-H-N-O,36.0,A3B2C5D3E5_mC72_15_ef_f_e2f_ef_e2f:C-Cu-H-N-O +mp-1226113,CuH18PdC4N4O11,-6.0087634908,-1.0081897784,0.0851194432,0.0851194432,GGA,C2,A4BC18D4E11F_mC78_5_2c_a_9c_2c_a5c_b:C-Cu-H-N-O-Pd,39.0,"Invalid WP multiplicities - A4BC18D4E11F_mC78_5_4c_a_17c_4c_a9c_b:C-Cu-H-N-O-Pd, expected CuH34PdC8N8O19 to be CuH18PdC4N4O11" +mp-556951,CuH3C2NO4,-6.5864135391000005,-1.0538712155,0.1243464146,0.1243464146,GGA,Pbca,A2BC3DE4_oP88_61_2c_c_3c_c_4c:C-Cu-H-N-O,88.0,"Invalid WP multiplicities - A2BC3DE4_oP88_61_8c_c_13c_c_23c:C-Cu-H-N-O, expected CuH13C8NO23 to be CuH3C2NO4" +mp-1201220,CuH9C5NO5,-6.1214026493,-0.7001166008,0.2176615331,0.2176615331,GGA,P-1,A5BC9DE5_aP42_2_5i_i_9i_i_5i:C-Cu-H-N-O,42.0,A5BC9DE5_aP42_2_5i_i_9i_i_5i:C-Cu-H-N-O +mp-686268,Cu2H4C4N3O,-6.0338855898,0.2975539085,0.7209102138,0.7209102138,GGA,P2_1,A4B2C4D3E_mP56_4_8a_4a_8a_6a_2a:C-Cu-H-N-O,56.0,"Invalid WP multiplicities - A4B2C4D3E_mP56_4_16a_8a_15a_12a_3a:C-Cu-H-N-O, expected Cu8H15C16(N4O)3 to be Cu2H4C4N3O" +mp-1195736,CuH11C6NO5,-6.0976939867,-0.6868137949,0.1559840027,0.1559840027,GGA,C2/c,A6BC11DE5_mC192_15_6f_f_11f_f_5f:C-Cu-H-N-O,96.0,A6BC11DE5_mC192_15_6f_f_11f_f_5f:C-Cu-H-N-O +mp-1195955,CuH7C3NO6,-6.2050808882,-1.0078079629,0.1443148451,0.1443148451,GGA,P2_12_12_1,A3BC7DE6_oP72_19_3a_a_7a_a_6a:C-Cu-H-N-O,72.0,A3BC7DE6_oP72_19_3a_a_7a_a_6a:C-Cu-H-N-O +mp-707973,CuH22C8N10O,-6.0181319262,-0.2828904604,0.1104885209,0.1104885209,GGA,C2/c,A8BC22D10E_mC336_15_8f_ce_22f_10f_f:C-Cu-H-N-O,168.0,A8BC22D10E_mC336_15_8f_ae_22f_10f_f:C-Cu-H-N-O +mp-1206517,Cu3PdN,-5.1306441,0.032155249,0.116097427,0.116097427,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cu-N-Pd,5.0,A3BC_cP5_221_c_b_a:Cu-N-Pd +mp-1200641,CuH9C4(NO2)3,-6.350419264,-0.861809695,0.1359331923,0.1359331923,GGA,Pna2_1,A4BC9D3E6_oP92_33_4a_a_9a_3a_6a:C-Cu-H-N-O,92.0,A4BC9D3E6_oP92_33_4a_a_9a_3a_6a:C-Cu-H-N-O +mp-1213145,H16PdC4(N5O)2,-6.2258144307,-0.4792542133,0.0298040538,0.0298040538,GGA,Pbca,A4B16C10D2E_oP132_61_2c_8c_5c_c_a:C-H-N-O-Pd,132.0,A4B16C10D2E_oP132_61_2c_8c_5c_c_a:C-H-N-O-Pd +mp-1105864,Cu11PdN4,-4.9952483788,0.2308225513,0.2570544819,0.2570544819,GGA,P4/mmm,A11B4C_tP16_123_beln_acf_d:Cu-N-Pd,16.0,A11B4C_tP16_123_beln_acf_d:Cu-N-Pd +mp-1181591,Cu11PdN4,-4.7721704162,0.4539005138,0.4801324444,0.4801324444,GGA,P4/mmm,A11B4C_tP16_123_afjm_bde_c:Cu-N-Pd,16.0,A11B4C_tP16_123_afjm_bde_c:Cu-N-Pd +mp-1188488,Cu11PdN4,-4.6903353963,0.5357355338,0.5619674644,0.5619674644,GGA,P4/mmm,A11B4C_tP16_123_cfjm_bde_a:Cu-N-Pd,16.0,A11B4C_tP16_123_cfjm_bde_a:Cu-N-Pd +mp-1202727,Cu11PdN4,-4.6912332628,0.5348376672,0.5610695978,0.5610695978,GGA,P4/mmm,A11B4C_tP32_123_hlmnr_abcdef_g:Cu-N-Pd,32.0,A11B4C_tP32_123_hlmnr_abcdef_g:Cu-N-Pd +mp-759393,CuH16C4(N5O)2,-6.1778485948,-0.464036109,0.0450221581,0.0450221581,GGA,Pbca,A4BC16D10E2_oP132_61_2c_a_8c_5c_c:C-Cu-H-N-O,132.0,"Invalid WP multiplicities - A4BC16D10E2_oP132_61_5c_a_29c_17c_c:C-Cu-H-N-O, expected CuH58C10(N17O)2 to be CuH16C4(N5O)2" +mp-698401,CuH11C5NO6,-5.9978075319,-0.7653430394,0.1979695803,0.1979695803,GGA,C2/c,A5BC11DE6_mC96_15_e2f_c_e5f_e_3f:C-Cu-H-N-O,48.0,A5BC11DE6_mC96_15_e2f_c_e5f_e_3f:C-Cu-H-N-O +mp-560533,CuH8C4(NO3)2,-6.3328883676,-0.8800884096,0.1620970533,0.1620970533,GGA,P2_1/c,A4BC8D2E6_mP42_14_2e_a_4e_e_3e:C-Cu-H-N-O,42.0,"Invalid WP multiplicities - A4BC8D2E6_mP42_14_4e_a_15e_e_9e:C-Cu-H-N-O, expected CuH30C8(NO9)2 to be CuH8C4(NO3)2" +mp-1212673,H12PdC4(NO5)2,-6.2644162147,-1.1283081704,0.0777174548,0.0777174548,GGA,P2_1/c,A4B12C2D10E_mP58_14_2e_6e_e_5e_a:C-H-N-O-Pd,58.0,A4B12C2D10E_mP58_14_2e_6e_e_5e_a:C-H-N-O-Pd +mp-1181627,CuH14C4(NO2)4,-5.9375009097,-0.7300324368000001,0.2932656232,0.2932656232,GGA,P2_1/c,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O,62.0,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O +mp-1181838,CuH14C4(NO2)4,-5.9870905527,-0.7796220798,0.2436759801,0.2436759801,GGA,P2_1/c,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O,62.0,"Invalid WP multiplicities - A4BC14D4E8_mP62_14_6e_a_27e_6e_12e:C-Cu-H-N-O, expected CuH54C12(NO2)12 to be CuH14C4(NO2)4" +mp-1182523,CuH14C4(NO2)4,-5.8348162239,-0.6273477510000001,0.395950309,0.395950309,GGA,P2_1/c,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O,62.0,"Invalid WP multiplicities - A4BC14D4E8_mP62_14_3e_a_15e_6e_9e:C-Cu-H-N-O, expected CuH30C6(N2O3)6 to be CuH14C4(NO2)4" +mp-1199425,CuH14C4(NO2)4,-6.1373637339,-0.929895261,0.093402799,0.093402799,GGA,P2_1/c,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O,62.0,A4BC14D4E8_mP62_14_2e_a_7e_2e_4e:C-Cu-H-N-O +mp-1213580,CuH8C2(N2O3)2,-6.2569697108,-0.8891383783000001,0.1368688354,0.1368688354,GGA,C2/c,A2BC8D4E6_mC168_15_2f_f_8f_4f_6f:C-Cu-H-N-O,,A2BC8D4E6_mC168_15_2f_f_8f_4f_6f:C-Cu-H-N-O +mp-1213640,CuH8C2(N2O3)2,-6.2549873938000005,-0.8871560613,0.1388511525,0.1388511525,GGA,C2/c,A2BC8D4E6_mC168_15_2f_f_8f_4f_6f:C-Cu-H-N-O,,A2BC8D4E6_mC168_15_2f_f_8f_4f_6f:C-Cu-H-N-O +mp-1225808,Cu31PdN8,-4.7523789348,0.2213022648,0.231795037,0.231795037,GGA,Pmmm,A31B8C_oP40_47_cdg2ij2klmoy2z_abefik_h:Cu-N-Pd,40.0,"Invalid WP multiplicities - A31B8C_oP40_47_cdg3ij3kl2m2oy5z_abefik_h:Cu-N-Pd, expected Cu51PdN8 to be Cu31PdN8" +mp-698361,CuH36C8(N5O4)2,-5.6784764449,-0.5514109343,0.1510985503,0.1510985503,GGA,C2/c,A8BC36D10E8_mC252_15_4f_e_18f_5f_4f:C-Cu-H-N-O,126.0,A8BC36D10E8_mC252_15_4f_e_18f_5f_4f:C-Cu-H-N-O +mp-698276,CuH11C4(NO5)2,-6.2226563229,-1.0628801765,0.1649562538,0.1649562538,GGA,P-1,A4BC11D2E10_aP56_2_4i_bd_11i_2i_10i:C-Cu-H-N-O,56.0,A4BC11D2E10_aP56_2_4i_bd_11i_2i_10i:C-Cu-H-N-O +mp-583429,CuH8C6(N3O)2,-6.5404110165,-0.1697434097,0.3456468751,0.3456468751,GGA,C2/m,A6BC8D6E2_mC46_12_ij_a_2ij_ij_i:C-Cu-H-N-O,23.0,"Invalid WP multiplicities - A6BC8D6E2_mC46_12_2i2j_a_4i3j_i2j_i:C-Cu-H-N-O, expected CuH20C12(N5O)2 to be CuH8C6(N3O)2" +mp-654900,CuH9C4NO6,-5.5871824915,-0.3698000993,0.6744311726000001,0.6744311726000001,GGA,Pnma,A4BC9DE6_oP84_62_2cd_a_3c3d_c_3d:C-Cu-H-N-O,84.0,"Invalid WP multiplicities - A4BC9DE6_oP84_62_6c4d_a_11c22d_c_14d:C-Cu-H-N-O, expected CuH55C14NO28 to be CuH9C4NO6" +mp-1182316,CuH9C4NO6,-5.8296867012,-0.6123043089,0.4319269629,0.4319269629,GGA,Pnma,A4BC9DE6_oP84_62_2cd_a_3c3d_c_3d:C-Cu-H-N-O,84.0,"Invalid WP multiplicities - A4BC9DE6_oP84_62_6c4d_a_11c22d_c_14d:C-Cu-H-N-O, expected CuH55C14NO28 to be CuH9C4NO6" +mp-1225725,Cu6PdN2,-5.0521013156,0.1087999822,0.1554345256,0.1554345256,GGA,P4/mmm,A6B2C_tP9_123_abi_g_c:Cu-N-Pd,9.0,A6B2C_tP9_123_abi_g_c:Cu-N-Pd +mp-697660,Cu2H6C3N4O,-6.1740154712,-0.2656758151,0.1888436152,0.1888436152,GGA,P2_1/c,A3B2C6D4E_mP64_14_3e_2e_6e_4e_e:C-Cu-H-N-O,64.0,A3B2C6D4E_mP64_14_3e_2e_6e_4e_e:C-Cu-H-N-O +mp-1188468,Cu12PdN4,-4.7930427776,0.3667420194,0.3914308953,0.3914308953,GGA,P4/mmm,A12B4C_tP17_123_kln_acf_b:Cu-N-Pd,17.0,A12B4C_tP17_123_kln_acf_b:Cu-N-Pd +mp-601396,CuH10C2(N2O5)2,-5.9941598257,-0.8350240881000001,0.3405216925,0.3405216925,GGA,P2_12_12_1,A2BC10D4E10_oP108_19_2a_a_10a_4a_10a:C-Cu-H-N-O,108.0,"Invalid WP multiplicities - A2BC10D4E10_oP108_19_3a_a_38a_14a_35a:C-Cu-H-N-O, expected CuH38C3(N2O5)7 to be CuH10C2(N2O5)2" +mp-1225855,Cu23PdN8,-4.9839525706,0.2083472613,0.2214632266,0.2214632266,GGA,I4/mmm,A23B8C_tI64_139_achkm_def_b:Cu-N-Pd,32.0,A23B8C_tI64_139_achkm_def_b:Cu-N-Pd +mp-24362,CuH6CN2O3,-5.896370704,-0.8811949797,0.0596561289,0.0596561289,GGA,P2_1/c,ABC6D2E3_mP52_14_e_e_6e_2e_3e:C-Cu-H-N-O,52.0,ABC6D2E3_mP52_14_e_e_6e_2e_3e:C-Cu-H-N-O +mp-1200474,BP4(HO2)3,-6.3529796823,-1.4822002395,0.2476370354,0.2476370354,GGA,Pbca,AB3C6D4_oP224_61_2c_6c_12c_8c:B-H-O-P,224.0,AB3C6D4_oP224_61_2c_6c_12c_8c:B-H-O-P +mp-1198577,In2B(PO4)3,-7.4474088486,-2.5705793327,0.0005175842,0.0005175842,GGA,P6_3/m,AB2C12D3_hP36_176_a_f_2hi_h:B-In-O-P,36.0,AB2C12D3_hP36_176_a_f_2hi_h:B-In-O-P +mp-757312,NaInBP2HO9,-7.1185414722,-2.4856661219,0.0135966057,0.0129604228,GGA,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-H-In-Na-O-P,60.0,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-H-In-Na-O-P +mp-1198616,NaInBP2HO9,-7.1321380778,-2.4992627276,0.0,-0.0006361829,GGA,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-H-In-Na-O-P,60.0,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-H-In-Na-O-P +mp-542843,MgB2P2H8O13,-6.6401315688,-2.1311150222,0.0090049745,0.0090049745,GGA,P2_1/c,A2B8CD13E2_mP104_14_2e_8e_e_13e_2e:B-H-Mg-O-P,104.0,A2B8CD13E2_mP104_14_2e_8e_e_13e_2e:B-H-Mg-O-P +mp-743656,Na2MgB12(H4O7)4,-6.2603172596,-1.5621997592,0.6580925225,0.6580925225,GGA,P2_1/c,A12B16CD2E28_mP118_14_6e_8e_a_e_14e:B-H-Mg-Na-O,118.0,"Invalid WP multiplicities - A12B16CD2E28_mP118_14_21e_29e_a_e_53e:B-H-Mg-Na-O, expected Na2MgB42(H29O53)2 to be Na2MgB12(H4O7)4" +mp-1221910,Na2MgB12(H4O7)4,-6.9032136032,-2.2050961028,0.0151961788,0.0151961788,GGA,P2_1/c,A12B16CD2E28_mP118_14_6e_8e_a_e_14e:B-H-Mg-Na-O,118.0,A12B16CD2E28_mP118_14_6e_8e_a_e_14e:B-H-Mg-Na-O +mp-1030730,NaMg6BO8,-6.2316048356,-2.6580356447,0.2858090563,0.2858090563,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:B-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:B-Mg-Na-O, expected NaMg6BO12 to be NaMg6BO8" +mp-1030755,NaMg6BO8,-6.0987319837,-2.5251627929,0.4186819081,0.4186819081,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:B-Mg-Na-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:B-Mg-Na-O, expected NaMg6BO12 to be NaMg6BO8" +mp-758868,MgBP(H3O4)2,-6.4005301396,-2.0697748286,0.0005753741,0.0005753741,GGA,R-3c,AB6CD8E_hR306_167_e_3f_e_4f_e:B-H-Mg-O-P,102.0,"Invalid WP multiplicities - AB6CD8E_hR306_167_e_19f_e_27f_e:B-H-Mg-O-P, expected MgBP(H19O27)2 to be MgBP(H3O4)2" +mp-553891,Mg2BP3(H3O7)2,-6.7951559849,-2.344007615,0.002570905,0.002570905,GGA,P2_12_12_1,AB6C2D14E3_oP104_19_a_6a_2a_14a_3a:B-H-Mg-O-P,104.0,"Invalid WP multiplicities - AB6C2D14E3_oP104_19_a_22a_6a_54a_11a:B-H-Mg-O-P, expected Mg6BP11(H11O27)2 to be Mg2BP3(H3O7)2" +mp-1034626,NaMg14BO16,-6.2800598337,-2.856533048,0.1424094522,0.1424094522,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:B-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:B-Mg-Na-O, expected NaMg18BO20 to be NaMg14BO16" +mp-1034600,NaMg14BO16,-6.2314638716,-2.8079370858,0.1910054144,0.1910054144,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:B-Mg-Na-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:B-Mg-Na-O, expected NaMg30BO32 to be NaMg14BO16" +mp-1039824,NaMg30BO31,-6.2252393684,-2.9021017714,0.0911886036,0.0911886036,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_a2b2c2d2e2f2g2h2i:B-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_a2b2c2d4e4f2g2h2i:B-Mg-Na-O, expected NaMg38BO39 to be NaMg30BO31" +mp-1039849,NaMg30BO31,-6.2275034914,-2.9043658944,0.0889244806,0.0889244806,GGA,Pmm2,AB30CD31_oP63_25_a_ab2c2d2e2f2g2h2i_b_2ab2c2d2e2f2g2h2i:B-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_ab2c2d4e4f2g2h2i_b_2ab2c2d4e4f2g2h2i:B-Mg-Na-O, expected NaMg38BO39 to be NaMg30BO31" +mp-1039855,NaMg30BO31,-6.2124064629,-2.8892688658,0.1040215091,0.1040215091,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:B-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2ab2c2d2e2f4g4h2i:B-Mg-Na-O, expected NaMg38BO39 to be NaMg30BO31" +mp-1098484,NaMg30BO31,-6.210699219,-2.887561622,0.1057287529,0.1057287529,GGA,Pmm2,AB30CD31_oP63_25_a_a2b2cd2e2f2g2h2i_d_2a2bc2d2e2f2g2h2i:B-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_oP63_25_a_a2b2cd2e2f4g4h2i_d_2ab2c2d2e2f4g4h2i:B-Mg-Na-O, expected NaMg38BO39 to be NaMg30BO31" +mp-1039838,NaMg30BO31,-6.1977983579,-2.8746607609,0.118629614,0.118629614,GGA,P4mm,AB30CD31_tP63_99_a_ab2c2d2e2f_b_2ab2c2d2e2f:B-Mg-Na-O,63.0,"Invalid WP multiplicities - AB30CD31_tP63_99_a_ab2c2d6e6f_b_2ab2c2d6e6f:B-Mg-Na-O, expected NaMg62BO63 to be NaMg30BO31" +mp-1198429,Na6Mg3B9P6H3O38,-7.239979333,-2.5710149938,0.0584458299,0.0584458299,GGA,P6_3,A9B3C3D6E38F6_hP130_173_3c_c_c_a2bc_ab12c_2c:B-H-Mg-Na-O-P,130.0,A9B3C3D6E38F6_hP130_173_3c_c_c_a2bc_ab12c_2c:B-H-Mg-Na-O-P +mp-561536,NaMgBO3,-6.8282433708,-2.7545328295,0.0056525408,0.0056525408,GGA,C2/c,ABCD3_mC24_15_e_a_e_ef:B-Mg-Na-O,12.0,"Invalid WP multiplicities - ABCD3_mC24_15_e_c_e_2e3f:B-Mg-Na-O, expected NaMgBO8 to be NaMgBO3" +mp-1034618,NaMg14BO15,-6.1155774787,-2.7411849486,0.1893958269,0.1893958269,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:B-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:B-Mg-Na-O +mp-1034638,NaMg14BO15,-6.1127079881,-2.738315458,0.1922653176,0.1922653176,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:B-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:B-Mg-Na-O +mp-1034649,NaMg14BO15,-6.0665537674,-2.6921612373,0.2384195382,0.2384195382,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:B-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_a2b2c2d2e2f:B-Mg-Na-O +mp-1034744,NaMg14BO15,-6.0901347948,-2.7157422647,0.2148385108,0.2148385108,GGA,Pmm2,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:B-Mg-Na-O,31.0,AB14CD15_oP31_25_a_a2bc2d2e2f_c_2a2bc2d2e2f:B-Mg-Na-O +mp-1030690,NaMg6BO7,-5.8554622253,-2.3734343358,0.425456281,0.425456281,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_a2b2c:B-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_a2b4c:B-Mg-Na-O, expected NaMg10BO11 to be NaMg6BO7" +mp-1030699,NaMg6BO7,-5.842061326,-2.3600334365,0.4388571803,0.4388571803,GGA,P4mm,AB6CD7_tP15_99_a_2b2c_a_2ab2c:B-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_2b4c_a_2ab4c:B-Mg-Na-O, expected NaMg10BO11 to be NaMg6BO7" +mp-1030738,NaMg6BO7,-5.7136849607,-2.2316570711,0.5672335457000001,0.5672335457000001,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_2ab2c:B-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_2ab4c:B-Mg-Na-O, expected NaMg10BO11 to be NaMg6BO7" +mp-1030743,NaMg6BO7,-5.7488025753,-2.2667746858,0.532115931,0.532115931,GGA,P4mm,AB6CD7_tP15_99_a_ab2c_b_a2b2c:B-Mg-Na-O,15.0,"Invalid WP multiplicities - AB6CD7_tP15_99_a_ab4c_b_a2b4c:B-Mg-Na-O, expected NaMg10BO11 to be NaMg6BO7" +mp-683990,Na3Mg(BO2)5,-7.4144020289,-2.760101929,0.0,-0.0049469205,GGA,Pbca,A5BC3D10_oP152_61_5c_c_3c_10c:B-Mg-Na-O,152.0,"Invalid WP multiplicities - A5BC3D10_oP152_61_36c_c_14c_75c:B-Mg-Na-O, expected Na14Mg(B12O25)3 to be Na3Mg(BO2)5" +mp-707392,Mg3B2P2(H9O10)2,-6.1670085791,-1.9672514293,0.0087294037,0.0087294037,GGA,P-1,A2B18C3D20E2_aP45_2_i_9i_ai_10i_i:B-H-Mg-O-P,45.0,A2B18C3D20E2_aP45_2_i_9i_ai_10i_i:B-H-Mg-O-P +mp-1213265,NaMgBP2O11,-6.5136882464,-1.8360396244,0.4686582589,0.4686582589,GGA,P6_122,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Mg-Na-O-P,96.0,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Mg-Na-O-P +mp-1039794,NaMg30BO32,-6.3049839859,-2.9564784027,0.070012997,0.070012997,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:B-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:B-Mg-Na-O, expected NaMg90BO80 to be NaMg30BO32" +mp-1039775,NaMg30BO32,-6.2822171283,-2.9337115451,0.0927798547,0.0927798547,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:B-Mg-Na-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:B-Mg-Na-O, expected NaMg110BO72 to be NaMg30BO32" +mp-1212586,HC4NCl2O3,-6.9575018395,-0.8501361674,0.1166322944,0.1166322944,GGA,P2_1/c,A4B2CDE3_mP44_14_4e_2e_e_e_3e:C-Cl-H-N-O,44.0,A4B2CDE3_mP44_14_4e_2e_e_e_3e:C-Cl-H-N-O +mp-1200973,H6CNClO,-5.0234980505,-0.5518238446,0.290426282,0.290426282,GGA,Pbcm,ABC6DE_oP40_57_d_d_2d2e_d_d:C-Cl-H-N-O,40.0,ABC6DE_oP40_57_d_d_2d2e_d_d:C-Cl-H-N-O +mp-1215066,Cd5H18C8N20(Cl2O)2,-5.9956907833,-0.3197212375,0.197514183,0.197514183,GGA,P2_1/c,A8B5C4D18E20F2_mP114_14_4e_a2e_2e_9e_10e_e:C-Cd-Cl-H-N-O,114.0,A8B5C4D18E20F2_mP114_14_4e_a2e_2e_9e_10e_e:C-Cd-Cl-H-N-O +mp-698392,CdH9C3NCl3,-4.7413049871,-0.4456858372,0.1851829529,0.1851829529,GGA,P6_3/m,A3BC3D9E_hP34_176_h_b_h_hi_c:C-Cd-Cl-H-N,34.0,A3BC3D9E_hP34_176_h_b_h_hi_c:C-Cd-Cl-H-N +mp-1195900,CdH9C4(N2O3)3,-6.4682340207,-0.8506045694000001,0.2447802066,0.2447802066,GGA,P2_1/c,A4BC9D6E9_mP116_14_4e_e_9e_6e_9e:C-Cd-H-N-O,116.0,A4BC9D6E9_mP116_14_4e_e_9e_6e_9e:C-Cd-H-N-O +mp-1195497,CdH7C3NO6,-6.1117234082,-1.0909125335,0.0953594176,0.0953594176,GGA,Pna2_1,A3BC7DE6_oP72_33_3a_a_7a_a_6a:C-Cd-H-N-O,72.0,A3BC7DE6_oP72_33_3a_a_7a_a_6a:C-Cd-H-N-O +mp-698468,CdH9C2(N2O5)2,-5.9644155683,-0.8595070313000001,0.3706579996,0.3706579996,GGA,P2_12_12_1,A2BC9D4E10_oP104_19_2a_a_9a_4a_10a:C-Cd-H-N-O,104.0,A2BC9D4E10_oP104_19_2a_a_9a_4a_10a:C-Cd-H-N-O +mp-1229317,Cd3H36C10N5Cl11,-4.7181537791,-0.4226177835,0.2180739138,0.2180739138,GGA,Cmc2_1,A10B3C11D36E5_oC260_36_2a4b_ab_5a3b_18b_a2b:C-Cd-Cl-H-N,130.0,"Invalid WP multiplicities - A10B3C11D36E5_oC260_36_3a12b_ab_7a7b_50b_a2b:C-Cd-Cl-H-N, expected Cd3H100C27N5Cl21 to be Cd3H36C10N5Cl11" +mp-1214359,Cd3H28C12(N15O)2,-6.4231275953,-0.1764981337,0.1872386704,0.1872386704,GGA,C2,A12B3C28D30E2_mC150_5_6c_ac_14c_ab14c_c:C-Cd-H-N-O,75.0,A12B3C28D30E2_mC150_5_6c_ac_14c_ab14c_c:C-Cd-H-N-O +mp-560730,H8CN2(ClO5)2,-5.1747085846,-0.5569944917,0.5588540286,0.5588540286,GGA,Pbcn,AB2C8D2E10_oP92_60_c_d_4d_d_5d:C-Cl-H-N-O,92.0,"Invalid WP multiplicities - AB2C8D2E10_oP92_60_c_d_23d_d_27d:C-Cl-H-N-O, expected H46CN2(ClO27)2 to be H8CN2(ClO5)2" +mp-1204636,H8CN5ClO3,-5.8731952399,-0.6097757248,0.2429695502,0.2429695502,GGA,P2_1/c,ABC8D5E3_mP72_14_e_e_8e_5e_3e:C-Cl-H-N-O,72.0,ABC8D5E3_mP72_14_e_e_8e_5e_3e:C-Cl-H-N-O +mp-570587,CdH8C2NCl3,-4.6590789158,-0.6321366485000001,0.0616497387,0.0616497387,GGA,P2_1/c,A2BC3D8E_mP60_14_2e_e_3e_8e_e:C-Cd-Cl-H-N,60.0,"Invalid WP multiplicities - A2BC3D8E_mP60_14_8e_e_10e_32e_e:C-Cd-Cl-H-N, expected CdH32C8NCl10 to be CdH8C2NCl3" +mp-1200968,H19C6N3ClO2,-5.4941006356,-0.4429655819,0.1143131806,0.1143131806,GGA,P-1,A6BC19D3E2_aP62_2_6i_i_19i_3i_2i:C-Cl-H-N-O,62.0,A6BC19D3E2_aP62_2_6i_i_19i_3i_2i:C-Cl-H-N-O +mp-863012,CdH10C3NCl3,-4.7860921399,-0.5406337181,0.0728520073,0.0728520073,GGA,Pnma,A3BC3D10E_oP72_62_cd_a_3c_2c4d_c:C-Cd-Cl-H-N,72.0,A3BC3D10E_oP72_62_cd_a_3c_2c4d_c:C-Cd-Cl-H-N +mp-554570,H10C3NClO4,-5.1894751837,-0.3692097438,0.6187029555,0.6187029555,GGA,P2_1,A3BC10DE4_mP38_4_3a_a_10a_a_4a:C-Cl-H-N-O,38.0,"Invalid WP multiplicities - A3BC10DE4_mP38_4_4a_a_17a_a_8a:C-Cl-H-N-O, expected H17C4NClO8 to be H10C3NClO4" +mp-560498,H10C3NClO4,-5.1899357666,-0.3696703267,0.6182423726,0.6182423726,GGA,P2_1/m,A3BC10DE4_mP38_11_ef_e_2e4f_e_2ef:C-Cl-H-N-O,38.0,"Invalid WP multiplicities - A3BC10DE4_mP38_11_2e3f_e_4e12f_e_4e3f:C-Cl-H-N-O, expected H28C8NClO10 to be H10C3NClO4" +mp-23909,H6CN3ClO,-5.7661349935,-0.6503240011,0.0953645779,0.0953645779,GGA,P2_12_12_1,ABC6D3E_oP48_19_a_a_6a_3a_a:C-Cl-H-N-O,48.0,"Invalid WP multiplicities - ABC6D3E_oP48_19_a_a_9a_3a_a:C-Cl-H-N-O, expected H9CN3ClO to be H6CN3ClO" +mp-1212546,H9C3N6ClO5,-6.1742898027,-0.556728109,0.3613503979,0.3613503979,GGA,P-1,A3BC9D6E5_aP48_2_3i_i_9i_6i_5i:C-Cl-H-N-O,48.0,A3BC9D6E5_aP48_2_3i_i_9i_6i_5i:C-Cl-H-N-O +mp-1238599,H9C3N6ClO5,-6.1704966958,-0.5529350021,0.3651435048,0.3651435048,GGA,P-1,A3BC9D6E5_aP48_2_3i_i_9i_6i_5i:C-Cl-H-N-O,48.0,A3BC9D6E5_aP48_2_3i_i_9i_6i_5i:C-Cl-H-N-O +mp-698416,CdH12C2(NCl2)2,-4.6786905948,-0.6710682245,0.0424143951,0.0424143951,GGA,Cmce,A2BC4D12E2_oC84_64_f_a_ef_2f2g_f:C-Cd-Cl-H-N,42.0,A2BC4D12E2_oC84_64_f_a_ef_2f2g_f:C-Cd-Cl-H-N +mp-697033,CdH4CN2Cl2O,-5.3919954782,-0.9338853588,0.0014206029,0.0014206029,GGA,P-1,ABC2D4E2F_aP22_2_i_i_2i_4i_2i_i:C-Cd-Cl-H-N-O,22.0,ABC2D4E2F_aP22_2_i_i_2i_4i_2i_i:C-Cd-Cl-H-N-O +mp-1195040,CdH14C5(NCl)3,-5.2476152645,-0.4353277027,0.122420462,0.122420462,GGA,C2/c,A5BC3D14E3_mC208_15_5f_f_2e2f_14f_3f:C-Cd-Cl-H-N,104.0,A5BC3D14E3_mC208_15_5f_f_2e2f_14f_3f:C-Cd-Cl-H-N +mp-1212587,H3C8N2Cl3O2,-6.8664112217,-0.4153290368,0.1817681451,0.1817681451,GGA,P-1,A8B3C3D2E2_aP36_2_8i_3i_3i_2i_2i:C-Cl-H-N-O,36.0,A8B3C3D2E2_aP36_2_8i_3i_3i_2i_2i:C-Cl-H-N-O +mp-1197532,Cd2H11C2NCl5O2,-4.5000025754,-0.8001915908,0.1680363969,0.1680363969,GGA,Cc,A2B2C5D11EF2_mC92_9_2a_2a_5a_11a_a_2a:C-Cd-Cl-H-N-O,46.0,A2B2C5D11EF2_mC92_9_2a_2a_5a_11a_a_2a:C-Cd-Cl-H-N-O +mp-1204467,CdH8C4(NCl)2,-5.2353881806,-0.2148338712,0.3315876482,0.3315876482,GGA,C2/c,A4BC2D8E2_mC68_15_2f_e_f_4f_f:C-Cd-Cl-H-N,34.0,A4BC2D8E2_mC68_15_2f_e_f_4f_f:C-Cd-Cl-H-N +mp-1195829,H9C6N10ClO5,-6.7598009971,-0.4419475511,0.3086042528,0.3086042528,GGA,P-1,A6BC9D10E5_aP62_2_6i_i_9i_10i_5i:C-Cl-H-N-O,62.0,A6BC9D10E5_aP62_2_6i_i_9i_10i_5i:C-Cl-H-N-O +mp-1354499,H9C6N10ClO5,-5.1382478268,1.1796056192,1.9301574231,1.9301574231,GGA,P-1,A6BC9D10E5_aP62_2_6i_i_9i_10i_5i:C-Cl-H-N-O,62.0,A6BC9D10E5_aP62_2_6i_i_9i_10i_5i:C-Cl-H-N-O +mp-554568,H10C3NClO,-5.1643346533,-0.3677735768,0.2381261584,0.2381261584,GGA,Pnma,A3BC10DE_oP64_62_cd_c_2c4d_c_c:C-Cl-H-N-O,64.0,"Invalid WP multiplicities - A3BC10DE_oP64_62_2c3d_c_8c23d_c_c:C-Cl-H-N-O, expected H54C8NClO to be H10C3NClO" +mp-1204503,CdH14C8(NO3)2,-6.0968194375,-0.6579968424,0.150701417,0.150701417,GGA,Pbcn,A8BC14D2E6_oP124_60_4d_c_7d_d_3d:C-Cd-H-N-O,124.0,A8BC14D2E6_oP124_60_4d_c_7d_d_3d:C-Cd-H-N-O +mp-568812,CdH16C4(NCl2)2,-4.870834719,-0.5675641656,0.0344739644,0.0344739644,GGA,Pbca,A4BC4D16E2_oP108_61_2c_a_2c_8c_c:C-Cd-Cl-H-N,108.0,"Invalid WP multiplicities - A4BC4D16E2_oP108_61_8c_a_9c_54c_c:C-Cd-Cl-H-N, expected CdH108C16(NCl9)2 to be CdH16C4(NCl2)2" +mp-1214331,CdHC2(NO)4,-7.0548611319,-0.7293876873,0.3152606195,0.3152606195,GGA,Pbcn,A2BCD4E4_oP48_60_d_c_c_2d_2d:C-Cd-H-N-O,48.0,A2BCD4E4_oP48_60_d_c_c_2d_2d:C-Cd-H-N-O +mp-1202388,H7C2N4ClO5,-5.990535827,-0.6150424998,0.4298262265,0.4298262265,GGA,P2_1/c,A2BC7D4E5_mP76_14_2e_e_7e_4e_5e:C-Cl-H-N-O,76.0,A2BC7D4E5_mP76_14_2e_e_7e_4e_5e:C-Cl-H-N-O +mp-1197214,H9C2N5(ClO4)2,-5.6803002656,-0.5285724569,0.5628193706,0.5628193706,GGA,P-1,A2B2C9D5E8_aP52_2_2i_2i_9i_5i_8i:C-Cl-H-N-O,52.0,A2B2C9D5E8_aP52_2_2i_2i_9i_5i_8i:C-Cl-H-N-O +mp-2714172,Na7Sc3Zn(PO4)6,-7.3116425215,-2.9039553974,0.0186988775,0.0186988775,GGA,P1,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-P-Sc-Zn,123.0,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-P-Sc-Zn +mp-2713709,Na3Sc2Zn2PS5O24,-6.7890437319,-2.3574739421,0.0273988849,0.0273988849,GGA,P1,A3B24CD5E2F2_aP111_1_9a_72a_3a_15a_6a_6a:Na-O-P-S-Sc-Zn,111.0,A3B24CD5E2F2_aP111_1_9a_72a_3a_15a_6a_6a:Na-O-P-S-Sc-Zn +mp-2713488,Na2ScZnP(SO6)2,-6.8191677676,-2.435813553,0.0445131141,0.0445131141,GGA,Cc,A2B12CD2EF_mC228_9_6a_36a_3a_6a_3a_3a:Na-O-P-S-Sc-Zn,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC228_9_6a_60a_3a_9a_3a_3a:Na-O-P-S-Sc-Zn, expected Na2ScZnPS3O20 to be Na2ScZnP(SO6)2" +mp-2714826,Na5Sc2Zn2P3(SO8)3,-6.8590516338,-2.5214404008,0.0487962475,0.0487962475,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Zn,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Zn +mp-2715019,Na4ScZn(PO4)3,-6.9641782644,-2.7507265528,0.0257773533,0.0257773533,GGA,R3c,A4B12C3DE_hR126_161_ab_4b_b_a_a:Na-O-P-Sc-Zn,126.0,"Invalid WP multiplicities - A4B12C3DE_hR126_161_ab_12b_b_a_a:Na-O-P-Sc-Zn, expected Na4ScZn(PO12)3 to be Na4ScZn(PO4)3" +mp-2712709,Na3ScZnP2SO12,-6.897315581,-2.6031601805,0.0495762764,0.0495762764,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-S-Sc-Zn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_8a_60a_7a_a_a_a:Na-O-P-S-Sc-Zn, expected Na8ScZnP7SO60 to be Na3ScZnP2SO12" +mp-2716110,Na7Sc2Zn2P5SO24,-6.9325475722,-2.6797282075,0.049169685,0.049169685,GGA,P1,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Zn,123.0,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Zn +mp-972112,Sr2MgUO6,-8.0783564965,-3.4832755731,0.0204056425,0.0204056425,GGA,P2_1/c,AB6C2D_mP20_14_a_3e_e_d:Mg-O-Sr-U,20.0,"Invalid WP multiplicities - AB6C2D_mP20_14_a_9e_e_b:Mg-O-Sr-U, expected Sr2MgUO18 to be Sr2MgUO6" +mp-1233630,Sr2Mg(H4O3)2,-5.2666588012,-1.6312936492,0.2049997265,0.2049997265,GGA,P1,A8BC6D2_aP17_1_8a_a_6a_2a:H-Mg-O-Sr,17.0,A8BC6D2_aP17_1_8a_a_6a_2a:H-Mg-O-Sr +mp-1234932,Sr2Mg(H4O3)2,-5.2428495953,-1.6074844433000002,0.2288089324,0.2288089324,GGA,Pm,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Mg-O-Sr,17.0,A8BC6D2_mP17_6_4a2c_a_4a2b_2b:H-Mg-O-Sr +mp-707710,SrMgUH24C3O23,-6.1944344831,-1.7139355127,0.0156469042,0.0156469042,GGA,P2_1/m,A3B24CD23EF_mP106_11_ef_4e10f_a_5e9f_e_e:C-H-Mg-O-Sr-U,106.0,A3B24CD23EF_mP106_11_ef_4e10f_a_5e9f_e_e:C-H-Mg-O-Sr-U +mp-1197741,MoP2H18(C3Cl)2,-5.1348494528,-0.2448359973,0.1073841365,0.1073841365,GGA,P4_32_12,A6B2C18DE2_tP232_96_6b_2b_18b_b_2b:C-Cl-H-Mo-P,232.0,A6B2C18DE2_tP232_96_6b_2b_18b_b_2b:C-Cl-H-Mo-P +mp-1196957,MoP4H36(C6Cl)2,-5.1460577307,-0.2537294219,0.0401676684,0.0401676684,GGA,I-42m,A12B2C36DE4_tI110_121_ij_e_i4j_a_i:C-Cl-H-Mo-P,55.0,A12B2C36DE4_tI110_121_ij_e_i4j_a_i:C-Cl-H-Mo-P +mp-24235,H6CSN4,-5.7850358429,-0.1960815655,0.1684492942,0.1684492942,GGA,P2_1/c,AB6C4D_mP48_14_e_6e_4e_e:C-H-N-S,48.0,"Invalid WP multiplicities - AB6C4D_mP48_14_e_9e_9e_e:C-H-N-S, expected H9CSN9 to be H6CSN4" +mp-738675,CuH9C4S4N,-5.2539879533,-0.1786880882,0.1514590686,0.1514590686,GGA,P-1,A4BC9DE4_aP76_2_8i_2i_18i_2i_8i:C-Cu-H-N-S,76.0,A4BC9DE4_aP76_2_8i_2i_18i_2i_8i:C-Cu-H-N-S +mp-23993,H4CSN2,-5.80649969,-0.3553735163,0.0307056288,0.027288743,GGA,P2_1/c,AB4C2D_mP32_14_e_4e_2e_e:C-H-N-S,32.0,"Invalid WP multiplicities - AB4C2D_mP32_14_e_7e_3e_e:C-H-N-S, expected H7CSN3 to be H4CSN2" +mp-721896,H4CSN2,-5.8309351488,-0.3798089751,0.00627017,0.0028532842,GGA,Pmc2_1,AB4C2D_oP32_26_ab_4c_2c_ab:C-H-N-S,32.0,AB4C2D_oP32_26_ab_4c_2c_ab:C-H-N-S +mp-634059,H4CSN2,-5.7831751031,-0.3320489295,0.0540302156,0.0506133299,GGA,Pmc2_1,AB4C2D_oP16_26_a_2c_c_a:C-H-N-S,16.0,AB4C2D_oP16_26_a_2c_c_a:C-H-N-S +mp-735023,H4CSN2,-5.8273844849,-0.3762583112,0.0098208339,0.0064039481,GGA,Pnma,AB4C2D_oP96_62_cd_6d_3d_cd:C-H-N-S,96.0,AB4C2D_oP96_62_cd_6d_3d_cd:C-H-N-S +mp-23930,H4CSN2,-5.8372053188,-0.3860791451,0.0,-0.0034168858,GGA,Pnma,AB4C2D_oP32_62_c_2d_d_c:C-H-N-S,32.0,AB4C2D_oP32_62_c_2d_d_c:C-H-N-S +mp-559836,H9C3S2BrN2,-5.0310946626,-0.0475976746,0.4134251696,0.4134251696,GGA,P-1,AB3C9D2E2_aP34_2_i_3i_9i_2i_2i:Br-C-H-N-S,34.0,"Invalid WP multiplicities - AB3C9D2E2_aP34_2_i_6i_16i_2i_4i:Br-C-H-N-S, expected H16C6S4BrN2 to be H9C3S2BrN2" +mp-1192713,CuH2CS2N,-5.5480331929,-0.3019304912,0.0835697872,0.0835697872,GGA,P2_12_12_1,ABC2DE2_oP28_19_a_a_2a_a_2a:C-Cu-H-N-S,28.0,ABC2DE2_oP28_19_a_a_2a_a_2a:C-Cu-H-N-S +mp-1197785,H6C(SN)2,-5.3417381661,-0.3843825892,0.0283222314,0.0283222314,GGA,Cc,AB6C2D2_mC88_9_2a_12a_4a_4a:C-H-N-S,44.0,AB6C2D2_mC88_9_2a_12a_4a_4a:C-H-N-S +mp-1197136,H6C(SN)2,-5.3488761764,-0.3915205994,0.0211842212,0.0211842212,GGA,Pca2_1,AB6C2D2_oP44_29_a_6a_2a_2a:C-H-N-S,44.0,AB6C2D2_oP44_29_a_6a_2a_2a:C-H-N-S +mp-1212559,HCSN,-6.5181433877,-0.2445593054,0.068327652,0.068327652,GGA,P-1,ABCD_aP48_2_6i_6i_6i_6i:C-H-N-S,48.0,ABCD_aP48_2_6i_6i_6i_6i:C-H-N-S +mp-1212623,H6C2SN4,-6.2081507162,-0.3392186529,0.0208265762,0.0208265762,GGA,C2/c,A2B6C4D_mC104_15_2f_6f_4f_f:C-H-N-S,,A2B6C4D_mC104_15_2f_6f_4f_f:C-H-N-S +mp-557333,H14C5(SN)2,-5.3659114968,-0.2099383805,0.1021464359,0.1021464359,GGA,P2_1/c,A5B14C2D2_mP92_14_5e_14e_2e_2e:C-H-N-S,92.0,"Invalid WP multiplicities - A5B14C2D2_mP92_14_18e_53e_7e_4e:C-H-N-S, expected H53C18S4N7 to be H14C5(SN)2" +mp-557980,CuS4BrN4,-5.3987865043,0.1556149125,0.3562174849,0.3562174849,GGA,P2_1/c,ABC4D4_mP40_14_e_e_4e_4e:Br-Cu-N-S,40.0,"Invalid WP multiplicities - ABC4D4_mP40_14_e_e_13e_15e:Br-Cu-N-S, expected CuS15BrN13 to be CuS4BrN4" +mp-600236,Cu2H10C6S3N4,-5.8694016935,-0.1392818517,0.1907594717,0.1907594717,GGA,P2_1,A6B2C10D4E3_mP100_4_12a_4a_20a_8a_6a:C-Cu-H-N-S,100.0,"Invalid WP multiplicities - A6B2C10D4E3_mP100_14_20e_4e_39e_10e_11e:C-Cu-H-N-S, expected Cu4H39C20S11N10 to be Cu2H10C6S3N4" +mp-555729,Cu2H10C6S3N4,-5.8818646943,-0.1517448525,0.1782964709,0.1782964709,GGA,P2_1/c,A6B2C10D4E3_mP100_14_6e_2e_10e_4e_3e:C-Cu-H-N-S,100.0,"Invalid WP multiplicities - A6B2C10D4E3_mP100_14_20e_6e_37e_14e_6e:C-Cu-H-N-S, expected Cu6H37C20(S3N7)2 to be Cu2H10C6S3N4" +mp-1193701,CuH2CBrN2,-5.7501126518,-0.2730637329,0.1379966096,0.1379966096,GGA,Pnma,ABCD2E2_oP28_62_c_c_c_2c_2c:Br-C-Cu-H-N,28.0,ABCD2E2_oP28_62_c_c_c_2c_2c:Br-C-Cu-H-N +mp-703380,H6CSBrN3,-5.3632513695,-0.3395859749,0.185176991,0.185176991,GGA,Pbca,ABC6D3E_oP96_61_c_c_6c_3c_c:Br-C-H-N-S,96.0,ABC6D3E_oP96_61_c_c_6c_3c_c:Br-C-H-N-S +mp-1212588,H4C2SN4,-6.549240515,-0.2300891757,0.1033550578,0.1033550578,GGA,P2_1/c,A2B4C4D_mP44_14_2e_4e_4e_e:C-H-N-S,44.0,A2B4C4D_mP44_14_2e_4e_4e_e:C-H-N-S +mp-1212553,H7C2SBrN4,-5.8546373147,-0.4385125682,0.0375662699,0.0375662699,GGA,P-1,AB2C7D4E_aP30_2_i_2i_7i_4i_i:Br-C-H-N-S,30.0,AB2C7D4E_aP30_2_i_2i_7i_4i_i:Br-C-H-N-S +mp-1238949,H7C2SBrN4,-5.8540210883,-0.4378963419,0.0381824963,0.0381824963,GGA,P-1,AB2C7D4E_aP30_2_i_2i_7i_4i_i:Br-C-H-N-S,30.0,AB2C7D4E_aP30_2_i_2i_7i_4i_i:Br-C-H-N-S +mp-1181569,H5C2S2N3,-5.4572657565,0.2680130534,0.6373355838,0.6373355838,GGA,P2_1,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S,48.0,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S +mp-1202433,H5C2S2N3,-6.0342425817,-0.3089637718,0.0603587586,0.0603587586,GGA,P2_1,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S,48.0,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S +mp-1237314,H5C2S2N3,-6.0297904308,-0.3045116209,0.0648109094,0.0648109094,GGA,P2_1,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S,48.0,A2B5C3D2_mP48_4_4a_10a_6a_4a:C-H-N-S +mp-1198480,CuH12C6(S2N)2,-5.5239502080000005,-0.1878421487,0.1345111638,0.1345111638,GGA,C2/c,A6BC12D2E4_mC200_15_6f_f_12f_2f_4f:C-Cu-H-N-S,100.0,A6BC12D2E4_mC200_15_6f_f_12f_2f_4f:C-Cu-H-N-S +mp-1202739,H6C2S(BrN)2,-4.7002637721,0.1250580457,0.6660045574,0.6660045574,GGA,P4_12_12,A2B2C6D2E_tP52_92_b_b_3b_b_a:Br-C-H-N-S,52.0,A2B2C6D2E_tP52_92_b_b_3b_b_a:Br-C-H-N-S +mp-1213538,Cu2H6C3(BrN3)2,-6.1460151337,-0.3899208022,0.0055068052,0.0055068052,GGA,P2_1/m,A2B3C2D6E6_mP38_11_f_ef_f_3f_2e2f:Br-C-Cu-H-N,38.0,A2B3C2D6E6_mP38_11_f_ef_f_3f_2e2f:Br-C-Cu-H-N +mp-600371,H8C3SN2,-5.6393118289,-0.2366515036,0.0950452053,0.0950452053,GGA,Pbca,A3B8C2D_oP112_61_3c_8c_2c_c:C-H-N-S,112.0,"Invalid WP multiplicities - A3B8C2D_oP112_61_19c_57c_10c_c:C-H-N-S, expected H57C19SN10 to be H8C3SN2" +mp-1199298,CuH6C3S(BrN)3,-5.3533391794,-0.2976580589,0.2165454153,0.2165454153,GGA,P2_1/c,A3B3CD6E3F_mP68_14_3e_3e_e_6e_3e_e:Br-C-Cu-H-N-S,68.0,A3B3CD6E3F_mP68_14_3e_3e_e_6e_3e_e:Br-C-Cu-H-N-S +mp-706559,H3CSN2,-5.8611379795000005,-0.1159546446,0.2577884712,0.2577884712,GGA,C2/c,AB3C2D_mC112_15_2f_6f_4f_2f:C-H-N-S,56.0,AB3C2D_mC112_15_2f_6f_4f_2f:C-H-N-S +mp-600172,CuH12C5S4N,-5.2380341658,-0.2016193369,0.1125857436,0.1125857436,GGA,Pbca,A5BC12DE4_oP184_61_5c_c_12c_c_4c:C-Cu-H-N-S,184.0,"Invalid WP multiplicities - A5BC12DE4_oP184_61_35c_c_92c_c_27c:C-Cu-H-N-S, expected CuH92C35S27N to be CuH12C5S4N" +mp-698375,CuH12C5S4N,-5.2408047907,-0.2043899617,0.1098151188,0.1098151188,GGA,P-42_1c,A5BC12DE4_tP184_114_5e_e_12e_e_4e:C-Cu-H-N-S,184.0,A5BC12DE4_tP184_114_5e_e_12e_e_4e:C-Cu-H-N-S +mp-1196757,H7C2SN5,-6.0574847613,-0.1891289085,0.1710544162,0.1710544162,GGA,Pbca,A2B7C5D_oP120_61_2c_7c_5c_c:C-H-N-S,120.0,A2B7C5D_oP120_61_2c_7c_5c_c:C-H-N-S +mp-729390,Cu2C3Br5N,-4.6174058865,0.108598331,0.5380149428000001,0.5380149428000001,GGA,P2_1/c,A5B3C2D_mP88_14_10e_6e_4e_2e:Br-C-Cu-N,88.0,A5B3C2D_mP88_14_10e_6e_4e_2e:Br-C-Cu-N +mp-1200376,CuH12C6(Br3N2)2,-5.2899880402,-0.3641928041,0.1660729011,0.1660729011,GGA,P-1,A6B6CD12E4_aP58_2_6i_6i_i_12i_4i:Br-C-Cu-H-N,58.0,A6B6CD12E4_aP58_2_6i_6i_i_12i_4i:Br-C-Cu-H-N +mp-1202278,Cu2H12C4Br3N,-4.8174172862,-0.3255369333,0.0853757667,0.0853757667,GGA,Pnma,A3B4C2D12E_oP88_62_3c_2cd_d_2c5d_c:Br-C-Cu-H-N,88.0,A3B4C2D12E_oP88_62_3c_2cd_d_2c5d_c:Br-C-Cu-H-N +mp-1203314,H10C4SN2,-5.5939647259,-0.2027081296,0.1078625277,0.1078625277,GGA,P2_1/c,A4B10C2D_mP68_14_4e_10e_2e_e:C-H-N-S,68.0,A4B10C2D_mP68_14_4e_10e_2e_e:C-H-N-S +mp-1203995,H10C4SN2,-5.5936195721,-0.2023629758,0.1082076814,0.1082076814,GGA,P2_1/c,A4B10C2D_mP136_14_8e_20e_4e_2e:C-H-N-S,136.0,A4B10C2D_mP136_14_8e_20e_4e_2e:C-H-N-S +mp-558354,H10C3S3N,-5.0996909856,-0.2550379589,0.0802735368,0.0802735368,GGA,P2/c,A3B10CD3_mP68_13_3g_10g_g_3g:C-H-N-S,68.0,"Invalid WP multiplicities - A3B10CD3_mP68_13_12g_40g_g_9g:C-H-N-S, expected H40C12S9N to be H10C3S3N" +mp-1197738,CuH12C3S3BrN6,-5.6746207984,-0.4254183689,0.0228065353,0.0228065353,GGA,P4_32_12,AB3CD12E6F3_tP208_96_b_3b_b_12b_6b_3b:Br-C-Cu-H-N-S,208.0,AB3CD12E6F3_tP208_96_b_3b_b_12b_6b_3b:Br-C-Cu-H-N-S +mp-1229304,Cu7H9(SN)4,-4.8359078717,-0.2892095274,0.0747336068,0.0747336068,GGA,P2_1,A7B9C4D4_mP48_4_7a_9a_4a_4a:Cu-H-N-S,48.0,A7B9C4D4_mP48_4_7a_9a_4a_4a:Cu-H-N-S +mp-698271,Ca3Ni2H8C10(S4O13)2,-6.3054246587,-1.0648800672,0.6129701192,0.6129701192,GGA+U,Ccce,A10B3C8D2E26F8_oC228_68_g2i_ae_2i_h_f6i_2i:C-Ca-H-Ni-O-S,114.0,A10B3C8D2E26F8_oC228_68_g2i_ae_2i_h_f6i_2i:C-Ca-H-Ni-O-S +mp-28742,Ca4Ni3C5,-6.1409212867,-0.1820765348,0.0,-0.1111462942,GGA,C2/m,A5B4C3_mC24_12_a2i_2i_bi:C-Ca-Ni,12.0,"Invalid WP multiplicities - A5B4C3_mC24_12_a3i_3i_b2i:C-Ca-Ni, expected Ca6Ni5C7 to be Ca4Ni3C5" +mp-1196609,CaH4C4(SO)4,-5.9541846176,-0.7292598916,0.4385364468,0.4385364468,GGA,P2_1/m,A4BC4D4E4_mP68_11_4f_2e_4f_4e2f_4f:C-Ca-H-O-S,68.0,A4BC4D4E4_mP68_11_4f_2e_4f_4e2f_4f:C-Ca-H-O-S +mp-2218200,MgAgH4WS4N,-5.1535493625,-0.4998689578,0.2961593883,0.2961593883,GGA,I-4,AB4CDE4F_tI24_82_a_g_c_d_g_b:Ag-H-Mg-N-S-W,12.0,AB4CDE4F_tI24_82_a_g_c_d_g_b:Ag-H-Mg-N-S-W +mp-990091,Ag2WS4,-5.5233200411,-0.4991712262,0.0929013049,0.0929013049,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Ag-S-W,28.0,A2B4C_oP28_62_2c_2cd_c:Ag-S-W +mp-697283,H8W(S2N)2,-5.4834189182,-0.5955037243,0.0,-0.0290179336,GGA,Pnma,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-S-W,60.0,A8B2C4D_oP60_62_4c2d_2c_2cd_c:H-N-S-W +mp-1245378,Ag15W7N19,-7.028894541,0.0830238794,0.3592331865,0.3592331865,GGA,P-1,A15B19C7_aP82_2_bd14i_19i_7i:Ag-N-W,82.0,A15B19C7_aP82_2_bd14i_19i_7i:Ag-N-W +mp-643431,AgH4WS4N,-5.5302111509,-0.5989488958,0.0208953549,0.0208953549,GGA,I-4,AB4CD4E_tI22_82_a_g_c_g_b:Ag-H-N-S-W,11.0,AB4CD4E_tI22_82_a_g_c_g_b:Ag-H-N-S-W +mp-1025333,AgWS4N,-5.5613530557,0.249072748,0.7923883933,0.7923883933,GGA,I-4,ABC4D_tI14_82_a_c_g_b:Ag-N-S-W,7.0,ABC4D_tI14_82_a_c_g_b:Ag-N-S-W +mp-1201143,AsClOF8,-4.2061937132,-1.7747232117,0.0,-0.0528288598,GGA,Pna2_1,ABC8D_oP44_33_a_a_8a_a:As-Cl-F-O,44.0,ABC8D_oP44_33_a_a_8a_a:As-Cl-F-O +mp-557360,AsPCl3OF5,-4.8133650048,-2.0749909647,0.0624462128,0.0624462128,GGA,P2_1/c,AB3C5DE_mP44_14_e_3e_5e_e_e:As-Cl-F-O-P,44.0,"Invalid WP multiplicities - AB3C5DE_mP44_14_e_8e_15e_e_e:As-Cl-F-O-P, expected AsPCl8OF15 to be AsPCl3OF5" +mp-1197012,AsPHCl3OF6,-4.7686058844,-2.043504388,0.0553311436,0.0553311436,GGA,Pnma,AB3C6DEF_oP52_62_c_cd_4cd_c_c_c:As-Cl-F-H-O-P,52.0,AB3C6DEF_oP52_62_c_cd_4cd_c_c_c:As-Cl-F-H-O-P +mp-557417,As2Cl3OF5,-4.5644905541,-1.8946787051,0.0,-0.0215461247,GGA,P2_1/c,A2B3C5D_mP44_14_2e_3e_5e_e:As-Cl-F-O,44.0,"Invalid WP multiplicities - A2B3C5D_mP44_14_6e_8e_17e_e:As-Cl-F-O, expected As6Cl8OF17 to be As2Cl3OF5" +mp-1203063,As2PHCl3F11,-4.5666999403,-2.0835808301,0.1654085581,0.1654085581,GGA,Pnma,A2B3C11DE_oP144_62_4c_2c2d_10c6d_2c_2c:As-Cl-F-H-P,144.0,A2B3C11DE_oP144_62_4c_2c2d_10c6d_2c_2c:As-Cl-F-H-P +mp-556333,K2ZnCu3P3O12F,-6.4358715139000005,-2.1954254895,0.0,-0.0064296095,GGA,P2_1/m,A3BC2D12E3F_mP44_11_af_e_ce_2e5f_ef_e:Cu-F-K-O-P-Zn,44.0,"Invalid WP multiplicities - A3BC2D12E3F_mP44_11_af_e_2d2e_4e19f_2e3f_e:Cu-F-K-O-P-Zn, expected K4ZnCu3P8O42F to be K2ZnCu3P3O12F" +mp-1198047,KCu3P3(O4F3)2,-6.1619746043,-2.3195788913,0.0150162386,0.0150162386,GGA,C2/c,A3B6CD8E3_mC84_15_cf_3f_e_4f_ef:Cu-F-K-O-P,42.0,A3B6CD8E3_mC84_15_af_3f_e_4f_ef:Cu-F-K-O-P +mp-1200535,AlB2P2H7O13,-6.6512782702,-2.0117982724,0.2284230206,0.2284230206,GGA,C2/c,AB2C7D13E2_mC100_15_c_f_e3f_e6f_f:Al-B-H-O-P,50.0,AB2C7D13E2_mC100_15_a_f_e3f_e6f_f:Al-B-H-O-P +mp-1203218,Rb9Al(HO2)4,-4.650531428,-1.6634952301,0.0147175718,0.0147175718,GGA,P2_1/c,AB4C8D9_mP88_14_e_4e_8e_9e:Al-H-O-Rb,88.0,AB4C8D9_mP88_14_e_4e_8e_9e:Al-H-O-Rb +mp-559284,Rb2Al2B2O7,-7.3983914262,-2.9800972473,0.0,-0.0385768836,GGA,P2_1/c,A2B2C7D2_mP52_14_2e_2e_7e_2e:Al-B-O-Rb,52.0,"Invalid WP multiplicities - A2B2C7D2_mP52_14_3e_7e_24e_4e:Al-B-O-Rb, expected Rb4Al3B7O24 to be Rb2Al2B2O7" +mp-758281,RbB2P2HO9,-7.492047635,-2.6201244968,0.0,-0.0006755033,GGA,P2_1/c,A2BC9D2E_mP60_14_2e_e_9e_2e_e:B-H-O-P-Rb,60.0,"Invalid WP multiplicities - A2BC9D2E_mP60_14_3e_e_33e_3e_e:B-H-O-P-Rb, expected RbB3P3HO33 to be RbB2P2HO9" +mp-1199312,RbAlP2(HO4)2,-7.0011365477,-2.5788739266,0.0102235105,0.0102235105,GGA,R-3c,AB2C8D2E_hR252_167_bc_f_4f_f_ac:Al-H-O-P-Rb,84.0,AB2C8D2E_hR252_167_bc_f_4f_f_ac:Al-H-O-P-Rb +mp-1199257,Rb3B2P3H2O13,-7.0720916877,-2.5663221827,0.0,-0.0163643395,GGA,P2_1/c,A2B2C13D3E3_mP92_14_2e_2e_13e_3e_3e:B-H-O-P-Rb,92.0,A2B2C13D3E3_mP92_14_2e_2e_13e_3e_3e:B-H-O-P-Rb +mp-542130,RbAlBP2HO9,-7.4423179628,-2.765982554,0.0,-0.0040450929,GGA,P2_1/c,ABCD9E2F_mP60_14_e_e_e_9e_2e_e:Al-B-H-O-P-Rb,60.0,ABCD9E2F_mP60_14_e_e_e_9e_2e_e:Al-B-H-O-P-Rb +mp-759553,As3H12C4S5N,-5.0892908776,-0.2643519182,0.0603066126,0.0603066126,GGA,P-1,A3B4C12DE5_aP100_2_6i_8i_24i_2i_10i:As-C-H-N-S,100.0,"Invalid WP multiplicities - A3B4C12DE5_aP100_2_11i_15i_47i_3i_19i:As-C-H-N-S, expected As11H47C15S19N3 to be As3H12C4S5N" +mp-677337,H12C4S3(N3Cl2)2,-5.3511479688,-0.266670717,0.2875032889,0.2875032889,GGA,P1,A4B4C12D6E3_aP58_1_8a_8a_24a_12a_6a:C-Cl-H-N-S,58.0,A4B4C12D6E3_aP58_1_8a_8a_24a_12a_6a:C-Cl-H-N-S +mp-1197935,As8H2CS10(N10Cl)2,-5.9660837319,0.1985333684,0.481632608,0.481632608,GGA,C2/c,A8BC2D2E20F10_mC172_15_4f_e_f_f_10f_5f:As-C-Cl-H-N-S,86.0,A8BC2D2E20F10_mC172_15_4f_e_f_f_10f_5f:As-C-Cl-H-N-S +mp-720300,H4CSN2Cl,-5.5663787711,-0.5155403212,0.0498756583,0.0498756583,GGA,Pbca,ABC4D2E_oP144_61_2c_2c_8c_4c_2c:C-Cl-H-N-S,144.0,ABC4D2E_oP144_61_2c_2c_8c_4c_2c:C-Cl-H-N-S +mp-1212759,H7C2SN4Cl,-5.9005963377,-0.4647710359,0.034892531,0.034892531,GGA,P2_1/c,A2BC7D4E_mP60_14_2e_e_7e_4e_e:C-Cl-H-N-S,60.0,A2BC7D4E_mP60_14_2e_e_7e_4e_e:C-Cl-H-N-S +mp-560045,H5CSN2Cl,-5.40123913,-0.5162119206,0.0677580106,0.0677580106,GGA,P4_12_12,ABC5D2E_tP80_92_b_b_5b_2b_b:C-Cl-H-N-S,80.0,"Invalid WP multiplicities - ABC5D2E_tP80_92_b_b_33b_9b_b:C-Cl-H-N-S, expected H33CSN9Cl to be H5CSN2Cl" +mp-782100,As4H24C8S7N2,-5.11897295,-0.2407649154,0.0718068254,0.0718068254,GGA,P2_1/c,A4B8C24D2E7_mP180_14_4e_8e_24e_2e_7e:As-C-H-N-S,180.0,"Invalid WP multiplicities - A4B8C24D2E7_mP180_14_13e_31e_95e_3e_25e:As-C-H-N-S, expected As13H95C31S25N3 to be As4H24C8S7N2" +mp-1207444,ZnCdB2O5,-6.7800203167,-2.3050358202,0.0197608664,0.0197608664,GGA,P2_12_12_1,A2BC5D_oP36_19_2a_a_5a_a:B-Cd-O-Zn,36.0,A2BC5D_oP36_19_2a_a_5a_a:B-Cd-O-Zn +mp-1196758,KCd(BO2)3,-7.2640762443,-2.5593856728,0.0,-0.0007078754,GGA,C2/c,A3BCD6_mC88_15_3f_f_f_6f:B-Cd-K-O,44.0,A3BCD6_mC88_15_3f_f_f_6f:B-Cd-K-O +mp-1215644,Zn3Cd3(BO3)4,-6.3851287141,-2.174868181,0.0191965031,0.0191965031,GGA,R3,A4B3C12D3_hR66_146_4a_b_4b_b:B-Cd-O-Zn,22.0,A4B3C12D3_hR66_146_4a_b_4b_b:B-Cd-O-Zn +mp-1215713,Zn2Cd(BO3)2,-6.424001535,-2.1984294633,0.0294106002,0.0294106002,GGA,P1,A2BC6D2_aP22_1_4a_2a_12a_4a:B-Cd-O-Zn,22.0,A2BC6D2_aP22_1_4a_2a_12a_4a:B-Cd-O-Zn +mp-1192840,KZn2CdB2O6F,-6.1653423977,-2.3574061897,0.0,-0.0126018858,GGA,P-31c,A2BCDE6F2_hP26_163_f_b_c_a_i_f:B-Cd-F-K-O-Zn,26.0,A2BCDE6F2_hP26_163_f_b_c_a_i_f:B-Cd-F-K-O-Zn +mp-1204785,K3Cd(BO2)5,-7.1973987888,-2.6122444431,0.0,-0.0115616378,GGA,P2_1/c,A5BC3D10_mP76_14_5e_e_3e_10e:B-Cd-K-O,76.0,A5BC3D10_mP76_14_5e_e_3e_10e:B-Cd-K-O +mp-9628,KCdF3,-4.267583105,-2.7140379831,0.0,-0.051241011,GGA,Pnma,AB3C_oP20_62_a_cd_c:Cd-F-K,20.0,AB3C_oP20_62_a_cd_c:Cd-F-K +mp-10175,KCdF3,-4.24200609,-2.6884609681,0.025577015,-0.025663996,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Cd-F-K,5.0,AB3C_cP5_221_b_c_a:Cd-F-K +mp-1204537,NaDyP2H2CO7,-6.8897515771,-2.0756904551,0.4159210624,0.4159210624,GGA,P2_1/c,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Dy-H-Na-O-P,56.0,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Dy-H-Na-O-P +mp-696155,Na4P2H4CO9,-6.1194753433,-1.9476516302,0.1354132642,0.1354132642,GGA,P-4,AB4C4D9E2_tP40_81_g_2h_2h_g4h_h:C-H-Na-O-P,40.0,AB4C4D9E2_tP40_81_g_2h_2h_g4h_h:C-H-Na-O-P +mp-774757,Na3PH12CO11,-5.6312763485,-1.5692823398,0.0839861003,0.0839861003,GGA,P2_1/c,AB12C3D11E_mP112_14_e_12e_3e_11e_e:C-H-Na-O-P,112.0,"Invalid WP multiplicities - AB12C3D11E_mP112_14_e_45e_11e_43e_e:C-H-Na-O-P, expected Na11PH45CO43 to be Na3PH12CO11" +mp-1180586,Na3PH12CO11,-5.6565786189,-1.5945846102,0.0586838299,0.0586838299,GGA,P2_1/c,AB12C3D11E_mP112_14_e_12e_3e_11e_e:C-H-Na-O-P,112.0,AB12C3D11E_mP112_14_e_12e_3e_11e_e:C-H-Na-O-P +mp-768141,Na2DyPCO7,-7.4768167325,-2.7667645321,0.0247353644,0.0247353644,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Dy-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Dy-Na-O-P, expected Na2DyPCO13 to be Na2DyPCO7" +mp-1200873,NaP2H5CO6,-6.2169063438,-1.682135791,0.0233382115,0.0233382115,GGA,P2_1/c,AB5CD6E2_mP60_14_e_5e_ad_6e_2e:C-H-Na-O-P,60.0,AB5CD6E2_mP60_14_e_5e_ad_6e_2e:C-H-Na-O-P +mp-1199944,BAsH13C3N,-4.9482395059,-0.1342163394,0.2204385843,0.2204385843,GGA,Pnma,ABC3D13E_oP76_62_c_c_cd_c6d_c:As-B-C-H-N,76.0,ABC3D13E_oP76_62_c_c_cd_c6d_c:As-B-C-H-N +mp-1203624,Si2BAsH29C9N,-5.1213657151,-0.1917683686,0.1084764128,0.1084764128,GGA,Cmc2_1,ABC9D29EF2_oC172_36_a_a_a4b_a14b_a_b:As-B-C-H-N-Si,86.0,ABC9D29EF2_oC172_36_a_a_a4b_a14b_a_b:As-B-C-H-N-Si +mp-1201331,Si2B2H37C12N5,-5.4973790178,-0.2876075729,0.1248219496,0.1248219496,GGA,P2_1/c,A2B12C37D5E2_mP232_14_2e_12e_37e_5e_2e:B-C-H-N-Si,232.0,A2B12C37D5E2_mP232_14_2e_12e_37e_5e_2e:B-C-H-N-Si +mp-1201311,SiB2H50C21N2,-5.4405536427,-0.1919303662,0.0995400777,0.0995400777,GGA,Pna2_1,A2B21C50D2E_oP304_33_2a_21a_50a_2a_a:B-C-H-N-Si,304.0,A2B21C50D2E_oP304_33_2a_21a_50a_2a_a:B-C-H-N-Si +mp-1201089,K2Cd(C2O5)2,-6.5974636341,-1.3312732379,0.5596927816,0.5596927816,GGA,Fdd2,A4BC2D10_oF136_43_2b_a_b_5b:C-Cd-K-O,34.0,A4BC2D10_oF136_43_2b_a_b_5b:C-Cd-K-O +mp-720082,KCd6H4C12ClO26,-6.5824894758,-1.3539880608,0.2684674843,0.2684674843,GGA,P1,A12B6CD4EF26_aP50_1_12a_6a_a_4a_a_26a:C-Cd-Cl-H-K-O,50.0,A12B6CD4EF26_aP50_1_12a_6a_a_4a_a_26a:C-Cd-Cl-H-K-O +mp-554483,KCd3H8Cl7O4,-4.2130042113,-1.4413786438,0.0136165739,0.0136165739,GGA,P2_1/m,A3B7C8DE4_mP46_11_af_e3f_2e3f_e_2ef:Cd-Cl-H-K-O,46.0,"Invalid WP multiplicities - A3B7C8DE4_mP46_11_2a2f_2e6f_3e9f_e_4e2f:Cd-Cl-H-K-O, expected KCd6H21(Cl7O4)2 to be KCd3H8Cl7O4" +mp-1192169,KCd(CO2)3,-6.6680206636,-1.2680736225,0.4732435835,0.4732435835,GGA,C2/c,A3BCD6_mC44_15_ef_c_e_3f:C-Cd-K-O,22.0,A3BCD6_mC44_15_ef_c_e_3f:C-Cd-K-O +mp-2716263,NaY2Nb2P5SO24,-8.1975004079,-2.9294555773,0.0235840609,0.0235840609,GGA,P1,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Y,105.0,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Y +mp-2713275,Na2Y2P2SO12,-7.6914816995,-2.9598336874,0.0562127358,0.0562127358,GGA,Cc,A2B12C2DE2_mC76_9_2a_12a_2a_a_2a:Na-O-P-S-Y,114.0,"Invalid WP multiplicities - A2B12C2DE2_mC76_9_2a_72a_12a_a_6a:Na-O-P-S-Y, expected Na2Y6P12SO72 to be Na2Y2P2SO12" +mp-2714931,Na5Y4P5SO24,-7.7048283216,-3.0278539013,0.0348798845,0.0348798845,GGA,P1,A5B24C5DE4_aP117_1_15a_72a_15a_3a_12a:Na-O-P-S-Y,117.0,A5B24C5DE4_aP117_1_15a_72a_15a_3a_12a:Na-O-P-S-Y +mp-2713871,Na3Y4P3(SO8)3,-7.6786638226,-2.8893868895,0.0431461038,0.0431461038,GGA,P1,A3B24C3D3E4_aP111_1_9a_72a_9a_9a_12a:Na-O-P-S-Y,111.0,A3B24C3D3E4_aP111_1_9a_72a_9a_9a_12a:Na-O-P-S-Y +mp-2712767,Na2Y3NbP4(SO12)2,-7.9291553428,-2.9071440151,0.0353574862,0.0353574862,GGA,P1,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-P-S-Y,108.0,A2BC24D4E2F3_aP108_1_6a_3a_72a_12a_6a_9a:Na-Nb-O-P-S-Y +mp-2713357,YNbP2SO12,-8.173241465,-2.8267064316,0.033597804,0.033597804,GGA,Cc,AB12C2DE_mC68_9_a_12a_2a_a_a:Nb-O-P-S-Y,102.0,"Invalid WP multiplicities - AB12C2DE_mC68_9_a_60a_7a_a_a:Nb-O-P-S-Y, expected YNbP7SO60 to be YNbP2SO12" +mp-2714544,NaY2P(SO6)2,-7.670093097,-2.8199856362,0.0243942923,0.0243942923,GGA,Cc,AB12CD2E2_mC216_9_3a_36a_3a_6a_6a:Na-O-P-S-Y,108.0,"Invalid WP multiplicities - AB12CD2E2_mC216_9_3a_60a_3a_9a_6a:Na-O-P-S-Y, expected NaY2PS3O20 to be NaY2P(SO6)2" +mp-2713121,Y3NbP2(SO6)4,-7.8994261399,-2.7349069655,0.0215038401,0.0215038401,GGA,P1,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Nb-O-P-S-Y,102.0,AB24C2D4E3_aP102_1_3a_72a_6a_12a_9a:Nb-O-P-S-Y +mp-2715939,Na3Y3NbP5SO24,-7.941516693,-2.9849819435,0.0404563689,0.0404563689,GGA,P1,A3BC24D5EF3_aP111_1_9a_3a_72a_15a_3a_9a:Na-Nb-O-P-S-Y,111.0,A3BC24D5EF3_aP111_1_9a_3a_72a_15a_3a_9a:Na-Nb-O-P-S-Y +mp-2716472,NaY3NbP3(SO8)3,-7.9143308168,-2.8231013921,0.0290131999,0.0290131999,GGA,P1,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-P-S-Y,105.0,ABC24D3E3F3_aP105_1_3a_3a_72a_9a_9a_9a:Na-Nb-O-P-S-Y +mp-2714315,NaY4PS5O24,-7.6451043012,-2.7306902824,0.0204992632,0.0204992632,GGA,P1,AB24CD5E4_aP105_1_3a_72a_3a_15a_12a:Na-O-P-S-Y,105.0,AB24CD5E4_aP105_1_3a_72a_3a_15a_12a:Na-O-P-S-Y +mp-1209104,SmH4(C3O4)2,-7.3400994578,-1.3803629862,0.2123423916,0.2123423916,GGA,P2_1/c,A6B4C8D_mP76_14_6e_4e_8e_e:C-H-O-Sm,76.0,A6B4C8D_mP76_14_6e_4e_8e_e:C-H-O-Sm +mp-1219040,SmHCO4,-7.8543002657,-2.5504813346,0.0,-0.1166983136,GGA,P2_12_12_1,ABC4D_oP28_19_a_a_4a_a:C-H-O-Sm,28.0,ABC4D_oP28_19_a_a_4a_a:C-H-O-Sm +mp-23771,SmH3(CO2)3,-7.3150971085,-1.7564130304,0.1170521466,0.1170521466,GGA,R3m,A3B3C6D_hR39_160_b_b_2b_a:C-H-O-Sm,13.0,"Invalid WP multiplicities - A3B3C6D_hR39_160_b_b_4b_a:C-H-O-Sm, expected SmH3(CO4)3 to be SmH3(CO2)3" +mp-1196380,SmAgH4C2SO10,-6.7106290861,-1.8062757028,0.0640231946,0.0640231946,GGA,P2_1/c,AB2C4D10EF_mP76_14_e_2e_4e_10e_e_e:Ag-C-H-O-S-Sm,76.0,AB2C4D10EF_mP76_14_e_2e_4e_10e_e_e:Ag-C-H-O-S-Sm +mp-1225269,Ge8H12C2N2O17,-6.167857677,-1.364907328,0.0878208023,0.0878208023,GGA,P2_1,A2B8C12D2E17_mP82_4_2a_8a_12a_2a_17a:C-Ge-H-N-O,82.0,A2B8C12D2E17_mP82_4_2a_8a_12a_2a_17a:C-Ge-H-N-O +mp-1197686,GaGe2H5CNO6,-6.1583576366,-1.3781654714,0.0206854375,0.0206854375,GGA,P-1,ABC2D5EF6_aP32_2_i_i_2i_5i_i_6i:C-Ga-Ge-H-N-O,32.0,ABC2D5EF6_aP32_2_i_i_2i_5i_i_6i:C-Ga-Ge-H-N-O +mp-1386711,GaGe2H5CNO6,-2.5433513719,2.2368407933,3.6356917021,3.6356917021,GGA,P-1,ABC2D5EF6_aP32_2_i_i_2i_5i_i_6i:C-Ga-Ge-H-N-O,32.0,ABC2D5EF6_aP32_2_i_i_2i_5i_i_6i:C-Ga-Ge-H-N-O +mp-1201671,Ge6C4NO13,-6.6327679251,-0.9120897055,0.7569975876,0.7569975876,GGA,P2_1/c,A4B6CD13_mP96_14_4e_6e_e_13e:C-Ge-N-O,96.0,A4B6CD13_mP96_14_4e_6e_e_13e:C-Ge-N-O +mp-1203731,GaH15(C2N)2,-5.0394068043,-0.1527414172,0.1572605381,0.1572605381,GGA,P2_1/c,A4BC15D2_mP88_14_4e_e_15e_2e:C-Ga-H-N,88.0,A4BC15D2_mP88_14_4e_e_15e_2e:C-Ga-H-N +mp-1194496,GeH3CNO,-5.7368008307,-0.4063643852,0.2891345278,0.2891345278,GGA,Pnma,ABC3DE_oP28_62_c_c_cd_c_c:C-Ge-H-N-O,28.0,ABC3DE_oP28_62_c_c_cd_c_c:C-Ge-H-N-O +mp-684743,GaGe5H6C4NO12,-6.3176229459,-1.1068983597,0.3315144486,0.3315144486,GGA,C2,A4BC5D6EF12_mC58_5_2c_a_a2c_3c_b_6c:C-Ga-Ge-H-N-O,29.0,"Invalid WP multiplicities - A4BC5D6EF12_mC58_5_2c_a_a3c_6c_b_11c:C-Ga-Ge-H-N-O, expected GaGe7H12C4NO22 to be GaGe5H6C4NO12" +mp-570588,GaH13(C2N)2,-5.1934275925,-0.1573682711,0.1518365172,0.1518365172,GGA,P-1,A4BC13D2_aP40_2_4i_i_13i_2i:C-Ga-H-N,40.0,"Invalid WP multiplicities - A4BC13D2_aP40_2_7i_i_26i_2i:C-Ga-H-N, expected GaH26C7N2 to be GaH13(C2N)2" +mp-1200504,Ga4H12C15O31,-6.9359649552,-1.3778612605,0.174345822,0.174345822,GGA,Im-3,A15B4C12D31_cI124_204_bg_c_g_aeh:C-Ga-H-O,62.0,A15B4C12D31_cI124_204_bg_c_g_aeh:C-Ga-H-O +mp-698313,Rb2CuH4(C2O5)2,-6.5988838629,-1.5506587163,0.0670347357,0.0670347357,GGA,P-1,A4BC4D10E2_aP42_2_4i_ae_4i_10i_2i:C-Cu-H-O-Rb,42.0,A4BC4D10E2_aP42_2_4i_ae_4i_10i_2i:C-Cu-H-O-Rb +mp-1201240,Rb2CuC2O7,-6.4979656115,-1.5692633799,0.0964075569,0.0964075569,GGA,P2_1/c,A2BC7D2_mP48_14_2e_e_7e_2e:C-Cu-O-Rb,48.0,A2BC7D2_mP48_14_2e_e_7e_2e:C-Cu-O-Rb +mp-1204475,RbCu2H2C3N3O,-6.4929020529,-0.3590212641,0.1860007102,0.1860007102,GGA,P2_1/c,A3B2C2D3EF_mP48_14_3e_2e_2e_3e_e_e:C-Cu-H-N-O-Rb,48.0,A3B2C2D3EF_mP48_14_3e_2e_2e_3e_e_e:C-Cu-H-N-O-Rb +mp-1195275,RbH3CN2O,-6.0722096723,-0.8213276397,0.0085516927,0.0085516927,GGA,Pbca,AB3C2DE_oP64_61_c_3c_2c_c_c:C-H-N-O-Rb,64.0,AB3C2DE_oP64_61_c_3c_2c_c_c:C-H-N-O-Rb +mp-2714586,NaHfZnP(SO6)2,-7.219802546,-2.4650289511,0.0370393829,0.0370393829,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Hf-Na-O-P-S-Zn,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Hf-Na-O-P-S-Zn, expected NaHfZnPS3O20 to be NaHfZnP(SO6)2" +mp-2713674,Na2HfZnP2SO12,-7.281496379,-2.640164661,0.0680420273,0.0680420273,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Hf-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Hf-Na-O-P-S-Zn, expected Na2HfZnP7SO60 to be Na2HfZnP2SO12" +mp-2712970,Hf3ZnP2(SO6)4,-7.859424084,-2.6469463119,0.0057903618,0.0057903618,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Hf-O-P-S-Zn,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Hf-O-P-S-Zn +mp-2715860,Na7HfZn3P5SO24,-6.7733454272,-2.5558432715,0.0589473751,0.0589473751,GGA,P1,AB7C24D5EF3_aP123_1_3a_21a_72a_15a_3a_9a:Hf-Na-O-P-S-Zn,123.0,AB7C24D5EF3_aP123_1_3a_21a_72a_15a_3a_9a:Hf-Na-O-P-S-Zn +mp-2714701,Na5HfZn3P3(SO8)3,-6.6879100902,-2.3874272051,0.0696619075,0.0696619075,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-P-S-Zn,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Hf-Na-O-P-S-Zn +mp-2714197,NaHf2Zn2PS5O24,-7.1815427958,-2.3651864677,0.0135304242,0.0135304242,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Hf-Na-O-P-S-Zn,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Hf-Na-O-P-S-Zn +mp-2716078,Na3Hf3ZnP5SO24,-7.9312046816,-2.9305998694,0.0422983177,0.0422983177,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Hf-Na-O-P-S-Zn,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Hf-Na-O-P-S-Zn +mp-2713194,Na4HfZn3P2(SO6)4,-6.6474673046,-2.3022184998,0.0577802556,0.0577802556,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Hf-Na-O-P-S-Zn,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Hf-Na-O-P-S-Zn +mp-2713988,Na3Hf2Zn2P3(SO8)3,-7.2712581561,-2.574738498,0.037169074,0.037169074,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Hf-Na-O-P-S-Zn,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Hf-Na-O-P-S-Zn +mp-2712546,Na2Hf3ZnP4(SO12)2,-7.9185189412,-2.8512133824,0.0259681692,0.0259681692,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Hf-Na-O-P-S-Zn,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Hf-Na-O-P-S-Zn +mp-2712668,Na6HfZn3P4(SO12)2,-6.7340896287,-2.4761343674000003,0.069769958,0.069769958,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Hf-Na-O-P-S-Zn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Hf-Na-O-P-S-Zn +mp-2716520,NaHf3ZnP3(SO8)3,-7.8963690452,-2.7585512686,0.0132320376,0.0132320376,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Hf-Na-O-P-S-Zn,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Hf-Na-O-P-S-Zn +mp-2715059,Na5Hf2Zn2P5SO24,-7.3166887486,-2.72771482,0.0646922619,0.0646922619,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Hf-Na-O-P-S-Zn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Hf-Na-O-P-S-Zn +mp-2712701,Na3HfZn3PS5O24,-6.6084897306,-2.2160552265,0.0308773229,0.0308773229,GGA,P1,AB3C24DE5F3_aP111_1_3a_9a_72a_3a_15a_9a:Hf-Na-O-P-S-Zn,111.0,AB3C24DE5F3_aP111_1_3a_9a_72a_3a_15a_9a:Hf-Na-O-P-S-Zn +mp-1212339,MnH12C4(N9O2)2,-7.0355640215,-0.4552293216,0.0935373444,0.0935373444,GGA+U,Pbca,A4B12CD18E4_oP156_61_2c_6c_a_9c_2c:C-H-Mn-N-O,156.0,A4B12CD18E4_oP156_61_2c_6c_a_9c_2c:C-H-Mn-N-O +mp-1211072,MnH3C2N9O,-7.7036012786,-0.3428095631,0.0684432282,0.0684432282,GGA+U,P2_1/c,A2B3CD9E_mP64_14_2e_3e_e_9e_e:C-H-Mn-N-O,64.0,A2B3CD9E_mP64_14_2e_3e_e_9e_e:C-H-Mn-N-O +mp-705911,MoH17C5(NO)4,-5.9222993669,-0.5094588868000001,0.1874616675,0.1874616675,GGA+U,P1,A5B17CD4E4_aP124_1_20a_68a_4a_16a_16a:C-H-Mo-N-O,124.0,A5B17CD4E4_aP124_1_20a_68a_4a_16a_16a:C-H-Mo-N-O +mp-1181051,Mo2H9C2NO7,-6.1669066668,-0.7551694518000001,0.4761106763,0.4761106763,GGA+U,C2/m,A2B9C2DE7_mC168_12_2j_2i8j_2ij_gh_6i4j:C-H-Mo-N-O,84.0,A2B9C2DE7_mC168_12_2j_2i8j_2ij_gh_6i4j:C-H-Mo-N-O +mp-1199739,Mo2H9C2NO7,-6.4511510637,-1.0394138487,0.1918662794,0.1918662794,GGA+U,C2/m,A2B9C2DE7_mC168_12_2j_2i8j_2ij_gh_6i4j:C-H-Mo-N-O,84.0,A2B9C2DE7_mC168_12_2j_2i8j_2ij_gh_6i4j:C-H-Mo-N-O +mp-1198270,MoH12C2(N3O2)2,-6.3678232938,-0.7749665726,0.0443825521,0.0443825521,GGA+U,P2_1/m,A2B12CD6E4_mP50_11_2e_6f_e_2e2f_2ef:C-H-Mo-N-O,50.0,A2B12CD6E4_mP50_11_2e_6f_e_2e2f_2ef:C-H-Mo-N-O +mp-1202547,MnH9C4(NO2)3,-6.7019782543,-0.9932465713,0.0762557727,0.0762557727,GGA+U,Pnna,A4B9CD3E6_oP92_52_2ce_c4e_d_ce_3e:C-H-Mn-N-O,92.0,A4B9CD3E6_oP92_52_2ce_c4e_d_ce_3e:C-H-Mn-N-O +mp-1202611,MnH20C22(N5O3)2,-6.8123071455,-0.1497264922,0.3987733488,0.3987733488,GGA+U,P2/c,A22B20CD10E6_mP118_13_2e10g_10g_e_2e4g_3g:C-H-Mn-N-O,118.0,A22B20CD10E6_mP118_13_2e10g_10g_e_2e4g_3g:C-H-Mn-N-O +mp-1199757,Mo6H24C8N2O19,-6.5657816294,-0.9558032388,0.2262287024,0.2262287024,GGA+U,P-3c1,A8B24C6D2E19_hP118_165_dg_4g_g_d_b3g:C-H-Mo-N-O,118.0,A8B24C6D2E19_hP118_165_dg_4g_g_d_b3g:C-H-Mo-N-O +mp-1222511,MnH3C5NO6,-7.1446933528,-0.6759340977,0.5975618554000001,0.5975618554000001,GGA+U,P1,A5B3CDE6_aP32_1_10a_6a_2a_2a_12a:C-H-Mn-N-O,32.0,A5B3CDE6_aP32_1_10a_6a_2a_2a_12a:C-H-Mn-N-O +mp-1238486,MnH3C5NO6,-7.1434431006,-0.6746838455,0.5988121076,0.5988121076,GGA+U,Cc,A5B3CDE6_mC64_9_5a_3a_a_a_6a:C-H-Mn-N-O,32.0,"Invalid WP multiplicities - A5B3CDE6_mC64_9_8a_6a_a_a_12a:C-H-Mn-N-O, expected MnH6C8NO12 to be MnH3C5NO6" +mp-1200380,MnHC4N3O5,-7.8672677665,-0.7806726495,0.4004571384,0.4004571384,GGA+U,I4_1/a,A4BCD3E5_tI224_88_4f_f_f_3f_5f:C-H-Mn-N-O,112.0,A4BCD3E5_tI224_88_4f_f_f_3f_5f:C-H-Mn-N-O +mp-1212163,MnH10C2N4O7,-6.4608045795,-1.0641626042,0.0795198598,0.0795198598,GGA+U,C2/c,A2B10CD4E7_mC192_15_2f_10f_f_4f_2e6f:C-H-Mn-N-O,96.0,A2B10CD4E7_mC192_15_2f_10f_f_4f_2e6f:C-H-Mn-N-O +mp-728420,Mo2H5C5N3O14,-6.6979168863,-0.5233863815,0.9451238432,0.9451238432,GGA+U,Pnma,A5B5C2D3E14_oP116_62_c2d_c2d_d_cd_2c6d:C-H-Mo-N-O,116.0,A5B5C2D3E14_oP116_62_c2d_c2d_d_cd_2c6d:C-H-Mo-N-O +mp-1202350,Mo2H13CN3O13,-5.9371066138,-0.8014240413,0.5507732328,0.5507732328,GGA+U,Pbcm,AB13C2D3E13_oP128_57_d_3d5e_e_de_d6e:C-H-Mo-N-O,128.0,AB13C2D3E13_oP128_57_d_3d5e_e_de_d6e:C-H-Mo-N-O +mp-1238333,MnH7C3NO6,-6.6470529546,-1.1685128837,0.0873693518,0.0873693518,GGA+U,P2_1,A3B7CDE6_mP108_4_9a_21a_3a_3a_18a:C-H-Mn-N-O,108.0,"Invalid WP multiplicities - A3B7CDE6_mP108_4_18a_39a_6a_3a_36a:C-H-Mn-N-O, expected Mn2H13C6NO12 to be MnH7C3NO6" +mp-1221775,MnH7C3NO6,-6.6358520378,-1.1573119668,0.0985702686,0.0985702686,GGA+U,C2,A3B7CDE6_mC72_5_ab2c_ab6c_c_c_6c:C-H-Mn-N-O,36.0,"Invalid WP multiplicities - A3B7CDE6_mC72_5_ab4c_ab12c_c_c_12c:C-H-Mn-N-O, expected MnH13C5NO12 to be MnH7C3NO6" +mp-1195289,MnH7C3NO6,-6.6350813013,-1.1565412303,0.0993410051,0.0993410051,GGA+U,Pna2_1,A3B7CDE6_oP72_33_3a_7a_a_a_6a:C-H-Mn-N-O,72.0,A3B7CDE6_oP72_33_3a_7a_a_a_6a:C-H-Mn-N-O +mp-1194724,MnH7C3NO6,-6.6482726225,-1.1697325516,0.0861496839,0.0861496839,GGA+U,P6_3,A3B7CDE6_hP108_173_3c_a2b6c_c_a2b_6c:C-H-Mn-N-O,108.0,A3B7CDE6_hP108_173_3c_a2b6c_c_a2b_6c:C-H-Mn-N-O +mp-1202049,Mo3H12C4NO10,-6.4979675013,-0.8990439387,0.3111432723,0.3111432723,GGA+U,Fm-3m,A4B12C3DE10_cF240_225_f_k_e_c_abeh:C-H-Mo-N-O,60.0,A4B12C3DE10_cF240_225_f_k_e_c_abeh:C-H-Mo-N-O +mp-867519,MoH18C5(NO)4,-5.918999022,-0.569287118,0.1157913448,0.1157913448,GGA+U,P2_13,A5B18CD4E4_cP128_198_2ab_6b_a_ab_ab:C-H-Mo-N-O,128.0,A5B18CD4E4_cP128_198_2ab_6b_a_ab_ab:C-H-Mo-N-O +mp-729824,Mn3Mo2H34C22N16O5,-6.5697707259,-0.1590629842,0.3354010573,0.3354010573,GGA+U,C2/c,A22B34C3D2E16F5_mC328_15_11f_17f_ef_f_8f_e2f:C-H-Mn-Mo-N-O,164.0,A22B34C3D2E16F5_mC328_15_11f_17f_ef_f_8f_e2f:C-H-Mn-Mo-N-O +mp-1211657,MnH7C4N3O7,-6.9818526205,-1.0972132872,0.0973606143,0.0973606143,GGA+U,P2_1/c,A4B7CD3E7_mP88_14_4e_7e_e_3e_7e:C-H-Mn-N-O,88.0,A4B7CD3E7_mP88_14_4e_7e_e_3e_7e:C-H-Mn-N-O +mp-9374,MnMoN2,-9.6958495513,-0.5256857382,0.0,-0.0130420806,GGA,P6_3/mmc,ABC2_hP8_194_a_b_f:Mn-Mo-N,8.0,ABC2_hP8_194_a_b_f:Mn-Mo-N +mp-1195584,MnH8C4(NO3)2,-6.7139821069,-1.0200960241,0.1038190748,0.1038190748,GGA+U,C2/c,A4B8CD2E6_mC84_15_2ef_2e3f_c_f_3f:C-H-Mn-N-O,42.0,A4B8CD2E6_mC84_15_2ef_2e3f_a_f_3f:C-H-Mn-N-O +mp-728793,MnH30C8(N13O9)2,-6.391907001,-0.4815168151,0.3895441881,0.3895441881,GGA+U,P-1,A8B30CD26E18_aP166_2_8i_30i_i_26i_18i:C-H-Mn-N-O,166.0,A8B30CD26E18_aP166_2_8i_30i_i_26i_18i:C-H-Mn-N-O +mp-600256,MnH9C4NO6,-6.4623147574,-1.0038462403,0.1102665614,0.1102665614,GGA+U,P-1,A4B9CDE6_aP84_2_8i_18i_abeh_2i_12i:C-H-Mn-N-O,84.0,"Invalid WP multiplicities - A4B9CDE6_aP84_2_15i_35i_abeh_4i_23i:C-H-Mn-N-O, expected Mn2H35C15N4O23 to be MnH9C4NO6" +mp-654897,MnH9C4NO6,-6.4671356331,-1.008667116,0.1054456857,0.1054456857,GGA+U,Pnma,A4B9CDE6_oP84_62_2cd_3c3d_a_c_3d:C-H-Mn-N-O,84.0,A4B9CDE6_oP84_62_2cd_3c3d_a_c_3d:C-H-Mn-N-O +mp-1199647,MoH4C(NO2)2,-6.9618243046,-1.1197439315,0.0839252483,0.0839252483,GGA+U,P2/c,AB4CD2E4_mP72_13_eg_6g_fg_3g_2e5g:C-H-Mo-N-O,72.0,AB4CD2E4_mP72_13_eg_6g_fg_3g_2e5g:C-H-Mo-N-O +mp-655025,Mo2H12C4N2O15,-5.9333761104,-0.4993191033,0.9225288776,0.9225288776,GGA+U,P2_1/c,A4B12C2D2E15_mP70_14_2e_6e_e_e_a7e:C-H-Mo-N-O,70.0,"Invalid WP multiplicities - A4B12C2D2E15_mP70_14_4e_20e_e_e_2a25e:C-H-Mo-N-O, expected MoH20C4NO26 to be Mo2H12C4N2O15" +mp-1181352,Mo2H12C4N2O15,-6.7626560624,-1.3285990553,0.0932489256,0.0932489256,GGA+U,P2_1/c,A4B12C2D2E15_mP70_14_2e_6e_e_e_a7e:C-H-Mo-N-O,70.0,"Invalid WP multiplicities - A4B12C2D2E15_mP70_14_4e_20e_e_e_2a25e:C-H-Mo-N-O, expected MoH20C4NO26 to be Mo2H12C4N2O15" +mp-1181609,Mo2H12C4N2O15,-6.3554470861,-0.921390079,0.5004579019000001,0.5004579019000001,GGA+U,P2_1/c,A4B12C2D2E15_mP70_14_2e_6e_e_e_a7e:C-H-Mo-N-O,70.0,"Invalid WP multiplicities - A4B12C2D2E15_mP70_14_4e_20e_e_e_2a25e:C-H-Mo-N-O, expected MoH20C4NO26 to be Mo2H12C4N2O15" +mp-1194711,MnH8C3(NO3)2,-6.5433131114,-1.026165999,0.1539448548,0.1539448548,GGA+U,Pna2_1,A3B8CD2E6_oP80_33_3a_8a_a_2a_6a:C-H-Mn-N-O,80.0,A3B8CD2E6_oP80_33_3a_8a_a_2a_6a:C-H-Mn-N-O +mp-1203596,MnH7C3NO7,-6.5921447632,-1.141596869,0.2004155503,0.2004155503,GGA+U,P2_12_12_1,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-Mn-N-O,76.0,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-Mn-N-O +mp-1104385,Mn2Mo2NO10,-7.7700395787,-1.2487920559,0.5497226852,0.5497226852,GGA+U,C2/m,A2B2CD10_mC30_12_f_i_a_3ij:Mn-Mo-N-O,15.0,A2B2CD10_mC30_12_e_i_a_3ij:Mn-Mo-N-O +mp-1198023,MnH14C8(NO3)2,-6.4033475548,-0.6987467168,0.1365891711,0.1365891711,GGA+U,Pbcn,A8B14CD2E6_oP124_60_4d_7d_c_d_3d:C-H-Mn-N-O,124.0,A8B14CD2E6_oP124_60_4d_7d_c_d_3d:C-H-Mn-N-O +mp-1222605,MnH8C4(NO2)3,-6.7183275273,-0.9043228607,0.1882297873,0.1882297873,GGA+U,Pna2_1,A4B8CD3E6_oP88_33_4a_8a_a_3a_6a:C-H-Mn-N-O,88.0,"Invalid WP multiplicities - A4B8CD3E6_oP88_33_8a_20a_a_7a_18a:C-H-Mn-N-O, expected MnH20C8N7O18 to be MnH8C4(NO2)3" +mp-1198801,MnH11C5NO6,-6.3240210198,-0.880606168,0.1271795582,0.1271795582,GGA+U,Cc,A5B11CDE6_mC96_9_5a_11a_a_a_6a:C-H-Mn-N-O,48.0,A5B11CDE6_mC96_9_5a_11a_a_a_6a:C-H-Mn-N-O +mp-557509,MnH11C5NO6,-6.3450135377,-0.901598686,0.1061870403,0.1061870403,GGA+U,Pna2_1,A5B11CDE6_oP96_33_5a_11a_a_a_6a:C-H-Mn-N-O,96.0,"Invalid WP multiplicities - A5B11CDE6_oP96_33_16a_40a_a_a_23a:C-H-Mn-N-O, expected MnH40C16NO23 to be MnH11C5NO6" +mp-753528,Li6FeNiP2(CO7)2,-7.0947192492,-2.3162087475,0.0413379894,0.0413379894,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Fe-Li-Ni-O-P,26.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Fe-Li-Ni-O-P +mp-766564,Li12Fe3NiP4(CO7)4,-7.1545532354,-2.324314185,0.046225143,0.046225143,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Fe-Li-Ni-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Fe-Li-Ni-O-P +mp-766539,Li12FeNi3P4(CO7)4,-7.0280372329,-2.3012552798,0.0432988661,0.0432988661,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Fe-Li-Ni-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Fe-Li-Ni-O-P +mp-1049199,KErP4(H2O9)2,-6.6211988907,-1.9803907205,0.1963646774,0.1963646774,GGA,P-1,AB4CD18E4_aP56_2_i_4i_i_18i_4i:Er-H-K-O-P,56.0,"Invalid WP multiplicities - AB4CD18E4_aP56_2_i_8i_i_36i_8i:Er-H-K-O-P, expected KErP8(H2O9)4 to be KErP4(H2O9)2" +mp-707511,KErP4(H2O9)2,-6.6329991057,-1.9921909355,0.1845644624,0.1845644624,GGA,C2/c,AB4CD18E4_mC112_15_e_2f_e_9f_2f:Er-H-K-O-P,56.0,AB4CD18E4_mC112_15_e_2f_e_9f_2f:Er-H-K-O-P +mp-698475,K4ErP6H6ClO21,-6.7372859763,-2.4405042967,0.0333747311,0.0333747311,GGA,P6_3/m,ABC6D4E21F6_hP78_176_a_c_i_bh_h3i_i:Cl-Er-H-K-O-P,78.0,ABC6D4E21F6_hP78_176_a_c_i_bh_h3i_i:Cl-Er-H-K-O-P +mp-1202664,ErH2Cl3O13,-5.3070056297,-1.0330196231,0.0,-0.0158572454,GGA,P-1,A3BC2D13_aP38_2_3i_i_2i_13i:Cl-Er-H-O,38.0,A3BC2D13_aP38_2_3i_i_2i_13i:Cl-Er-H-O +mp-1101811,ErH2ClO2,-6.281034395,-2.4318535646,0.0,-0.0256122887,GGA,P2_1/m,ABC2D2_mP12_11_e_e_2e_2e:Cl-Er-H-O,12.0,ABC2D2_mP12_11_e_e_2e_2e:Cl-Er-H-O +mp-1189912,PuCNO5,-8.6433750387,-1.5725697508,0.5891257884000001,0.5891257884000001,GGA,P6_3/mmc,ABC5D_hP16_194_c_a_fh_d:C-N-O-Pu,16.0,ABC5D_hP16_194_c_a_fh_d:C-N-O-Pu +mp-1210551,PuH16C3N4O11,-6.5575736417,-1.3005162974,0.0236247811,0.0236247811,GGA,C2/c,A3B16C4D11E_mC140_15_ef_8f_2f_e5f_e:C-H-N-O-Pu,70.0,A3B16C4D11E_mC140_15_ef_8f_2f_e5f_e:C-H-N-O-Pu +mp-1203606,PuH24C8N2(Cl2O)2,-5.5401863183,-0.5771838485,0.1190220009,0.1190220009,GGA,P4_2/mnm,A8B4C24D2E2F_tP82_136_k_ef_3k_d_g_a:C-Cl-H-N-O-Pu,82.0,A8B4C24D2E2F_tP82_136_k_ef_3k_d_g_a:C-Cl-H-N-O-Pu +mp-1194776,PuN2O11,-7.1181007204,-1.0213575772,0.0837647139,0.0837647139,GGA,P-1,A2B11C_aP28_2_2i_11i_bc:N-O-Pu,28.0,A2B11C_aP28_2_2i_11i_bc:N-O-Pu +mp-1201996,Pu(N4O9)2,-6.862703668,-0.5664001668,0.4500043124,0.4500043124,GGA,P2_1/c,A8B18C_mP54_14_4e_9e_a:N-O-Pu,54.0,A8B18C_mP54_14_4e_9e_a:N-O-Pu +mp-24761,RbGaBP2HO9,-7.1819420952,-2.5534386735,0.0,-0.0029136339,GGA,P2_1/c,ABCD9E2F_mP60_14_e_e_e_9e_2e_e:B-Ga-H-O-P-Rb,60.0,"Invalid WP multiplicities - ABCD9E2F_mP60_14_e_e_e_12e_2e_e:B-Ga-H-O-P-Rb, expected RbGaBP2HO12 to be RbGaBP2HO9" +mp-24729,RbGa2P2H5O11,-6.3686903712,-2.1191409817,0.0009393546,0.0009393546,GGA,P2_1/c,A2B5C11D2E_mP84_14_2e_5e_11e_2e_e:Ga-H-O-P-Rb,84.0,A2B5C11D2E_mP84_14_2e_5e_11e_2e_e:Ga-H-O-P-Rb +mp-1179785,Rb3GaP6(HO3)6,-6.0538819659,-1.7054623673,0.5111741757,0.5111741757,GGA,R-3,AB6C18D6E3_hR102_148_a_f_3f_f_d:Ga-H-O-P-Rb,34.0,AB6C18D6E3_hR102_148_a_f_3f_f_d:Ga-H-O-P-Rb +mp-1201112,Rb2GaB5(H4O7)2,-6.635936196,-2.1432170847,0.0044121681,0.0044121681,GGA,C222_1,A5BC8D14E2_oC120_20_a2c_b_4c_ab6c_c:B-Ga-H-O-Rb,60.0,A5BC8D14E2_oC120_20_a2c_b_4c_ab6c_c:B-Ga-H-O-Rb +mp-1191353,RbGaH4,-3.2304399204,-0.3005175412,0.0,-0.1007162021,GGA,Pnma,AB4C_oP24_62_c_2cd_c:Ga-H-Rb,24.0,AB4C_oP24_62_c_2cd_c:Ga-H-Rb +mp-1179380,Rb8(GaH3)5,-2.91510411,-0.2766882754,0.0096859076,0.0096859076,GGA,Fd-3,A5B15C8_cF224_203_ae_bdg_cf:Ga-H-Rb,56.0,A5B15C8_cF224_203_ae_bdg_cf:Ga-H-Rb +mp-974682,RbGaH2,-2.998222555,-0.2997020088,0.0,-0.0308688935,GGA,Pnma,AB2C_oP16_62_c_2c_c:Ga-H-Rb,16.0,"Invalid WP multiplicities - AB2C_oP16_62_c_5c_c:Ga-H-Rb, expected RbGaH5 to be RbGaH2" +mp-1223165,NaFe9H18(S3O22)2,-6.3955613288,-1.50973072,0.0598314926,0.0598314926,GGA+U,C2/m,A9B18CD44E6_mC156_12_aeij_3i3j_d_10i6j_3i:Fe-H-Na-O-S,78.0,"Invalid WP multiplicities - A9B18CD44E6_mC156_12_c2e2i3j_6i12j_a_19i24j_6i:Fe-H-Na-O-S, expected NaFe21H60(S6O67)2 to be NaFe9H18(S3O22)2" +mp-1238517,NaFe9H18(S3O22)2,-6.3937603535,-1.5079297446000002,0.061632468,0.061632468,GGA+U,C2/m,A9B18CD44E6_mC156_12_aeij_3i3j_d_10i6j_3i:Fe-H-Na-O-S,78.0,"Invalid WP multiplicities - A9B18CD44E6_mC156_12_c2e2i3j_6i12j_a_19i24j_6i:Fe-H-Na-O-S, expected NaFe21H60(S6O67)2 to be NaFe9H18(S3O22)2" +mp-1105952,NaFeSO4F,-6.6178699397,-2.1644661668,0.0,-0.0095222551,GGA+U,C2/c,ABCD4E_mC32_15_e_a_e_2f_e:F-Fe-Na-O-S,32.0,ABCD4E_mC32_15_e_a_e_2f_e:F-Fe-Na-O-S +mp-643794,HSO3F,-5.1902860054,-1.1434991699,0.5774860477,0.5774860477,GGA,P2_12_12_1,ABC3D_oP24_19_a_a_3a_a:F-H-O-S,24.0,ABC3D_oP24_19_a_a_3a_a:F-H-O-S +mp-24463,H3SO4F,-5.6189439100000005,-1.6175148195,0.0,-0.0190256548,GGA,Pnma,AB3C4D_oP36_62_c_cd_2cd_c:F-H-O-S,36.0,"Invalid WP multiplicities - AB3C4D_oP36_62_c_cd_2c2d_c:F-H-O-S, expected H3SO6F to be H3SO4F" +mp-1195527,Na2FeH4(SO5)2,-6.1501489513,-1.811950908,0.0037162107,0.0037162107,GGA+U,P2_1/c,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Fe-H-Na-O-S,38.0,AB4C2D10E2_mP38_14_a_2e_e_5e_e:Fe-H-Na-O-S +mp-1196027,Na2FeH8(SO6)2,-5.9186021138000005,-1.6830003368000002,0.0045996383,0.0045996383,GGA+U,P2_1/c,AB8C2D12E2_mP50_14_a_4e_e_6e_e:Fe-H-Na-O-S,50.0,AB8C2D12E2_mP50_14_a_4e_e_6e_e:Fe-H-Na-O-S +mp-1221452,NaFe6H12S4O29,-6.4084440967,-1.5458453047,0.0500963001,0.0500963001,GGA+U,P2/m,A6B12CD29E4_mP52_10_bgo_mn2o_c_e3m3n4o_mn:Fe-H-Na-O-S,52.0,"Invalid WP multiplicities - A6B12CD29E4_mP52_10_aeo_2m2n8o_c_h6m6n16o_2m2n:Fe-H-Na-O-S, expected NaFe6H40S8O89 to be NaFe6H12S4O29" +mp-1194982,Na3FeS2(O4F)2,-6.2509898753,-2.2443045972,0.0,-0.01496711,GGA+U,Pbcn,A2BC3D8E2_oP64_60_d_c_cd_4d_d:F-Fe-Na-O-S,64.0,A2BC3D8E2_oP64_60_d_c_cd_4d_d:F-Fe-Na-O-S +mp-1190551,Na2FeSO4F3,-6.0959418684,-2.3893315583,0.0049175669,0.0049175669,GGA+U,P2_1/m,A3BC2D4E_mP22_11_ef_a_de_2ef_e:F-Fe-Na-O-S,44.0,A3BC2D4E_mP22_11_ef_a_ce_2ef_e:F-Fe-Na-O-S +mp-695964,NaFe2H3(SO4)2,-6.4139275072,-1.6459803027,0.0510472127,0.0510472127,GGA+U,P-1,A2B3CD8E2_aP32_2_adi_3i_i_8i_2i:Fe-H-Na-O-S,64.0,"Invalid WP multiplicities - A2B3CD8E2_aP32_2_2adi_3i_i_8i_2i:Fe-H-Na-O-S, expected Na2Fe5H6(SO4)4 to be NaFe2H3(SO4)2" +mp-801887,NaFe2H3(SO4)2,-5.2220512109,-0.4541040064,1.2429235089,1.2429235089,GGA+U,P-1,A2B3CD8E2_aP32_2_aci_3i_i_8i_2i:Fe-H-Na-O-S,32.0,A2B3CD8E2_aP32_2_aci_3i_i_8i_2i:Fe-H-Na-O-S +mp-1193859,NaFeH4SO6F,-6.0005164461,-1.7796941757,0.006595357,0.006595357,GGA+U,P2_1/m,ABC4DE6F_mP28_11_e_a_2f_e_2e2f_e:F-Fe-H-Na-O-S,28.0,ABC4DE6F_mP28_11_e_a_2f_e_2e2f_e:F-Fe-H-Na-O-S +mp-1307582,NaFeH4SO6F,-5.9984768138,-1.7776545434000002,0.0086349893,0.0086349893,GGA+U,P2_1/m,ABC4DE6F_mP56_11_2e_ad_4f_2e_4e4f_2e:F-Fe-H-Na-O-S,56.0,"Invalid WP multiplicities - ABC4DE6F_mP56_11_4e_ab_16f_4e_8e16f_4e:F-Fe-H-Na-O-S, expected Na2FeH16S2(O10F)2 to be NaFeH4SO6F" +mp-604429,NaFe3H6(SO7)2,-6.4679831231,-1.6750797814,0.0,-0.0003862678,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-Na-O-S,26.0,"Invalid WP multiplicities - A3B6CD14E2_hR78_166_d_h_a_2c8h_c:Fe-H-Na-O-S, expected NaFe3H6(SO26)2 to be NaFe3H6(SO7)2" +mp-510606,NaFe3H6(SO7)2,-6.3585848146,-1.5656814729,0.1093983085,0.1090120407,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-Na-O-S,26.0,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-Na-O-S +mp-1196381,Na2FeH7(SO6)2,-5.970749878,-1.7000282788,0.0025790786,0.0025790786,GGA+U,P2_1/c,AB7C2D12E2_mP96_14_ab_7e_2e_12e_2e:Fe-H-Na-O-S,96.0,AB7C2D12E2_mP96_14_ad_7e_2e_12e_2e:Fe-H-Na-O-S +mp-1176951,Li6NbV3(PO4)6,-7.6753540245,-2.6751814105,0.0681363292,0.0681363292,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Nb-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Nb-O-P-V +mp-1246420,Li2NbV(PO5)2,-7.9398621683,-2.7338278577,0.0714441456,0.0714441456,GGA+U,Pna2_1,A2BC10D2E_oP64_33_2a_a_10a_2a_a:Li-Nb-O-P-V,64.0,A2BC10D2E_oP64_33_2a_a_10a_2a_a:Li-Nb-O-P-V +mp-757154,Li4Nb3V3Cr2O16,-8.4399157568,-2.5954715026,0.0588545501,0.0588545501,GGA+U,Cm,A2B4C3D16E3_mC56_8_2a_4a_ab_8a4b_ab:Cr-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A2B4C3D16E3_mC56_8_2a_4a_ab_8a6b_ab:Cr-Li-Nb-O-V, expected Li4Nb3V3Cr2O20 to be Li4Nb3V3Cr2O16" +mp-774893,NbV3Cr2(PO4)6,-8.4027330506,-2.6288590978,0.0633894728,0.0633894728,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Cr-Nb-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Cr-Nb-O-P-V, expected NbV3Cr2(PO10)6 to be NbV3Cr2(PO4)6" +mp-1220374,NbVCr,-9.7019025133,-0.0891496533,0.0,-0.0614432233,GGA,Imma,ABC_oI12_74_a_e_c:Cr-Nb-V,6.0,ABC_oI12_74_a_e_c:Cr-Nb-V +mp-770954,Li4Nb2V3Cr3O16,-8.4335466439,-2.6051115887,0.0095343101,0.0095343101,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Nb-O-V,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Cr-Li-Nb-O-V, expected Li4Nb2V3Cr3O20 to be Li4Nb2V3Cr3O16" +mp-1177323,Li4NbV3Cr2(PO4)6,-7.939118209,-2.5517393648,0.1024842891,0.1024842891,GGA+U,P1,A2B4CD24E6F3_aP40_1_2a_4a_a_24a_6a_3a:Cr-Li-Nb-O-P-V,40.0,A2B4CD24E6F3_aP40_1_2a_4a_a_24a_6a_3a:Cr-Li-Nb-O-P-V +mp-630760,KHgC3(SN)3,-6.2636619391,-0.2164882877,0.1427563165,0.1427563165,GGA,P2_1/m,A3BCD3E3_mP22_11_3e_e_e_3e_3e:C-Hg-K-N-S,22.0,"Invalid WP multiplicities - A3BCD3E3_mP22_11_5e_e_e_6e_6e:C-Hg-K-N-S, expected KHgC5(SN)6 to be KHgC3(SN)3" +mp-622196,KHgC3(SN)3,-6.2635161348,-0.2163424834,0.1429021209,0.1429021209,GGA,P2_1/c,A3BCD3E3_mP44_14_3e_e_e_3e_3e:C-Hg-K-N-S,44.0,"Invalid WP multiplicities - A3BCD3E3_mP44_14_9e_e_e_6e_8e:C-Hg-K-N-S, expected KHgC9(S4N3)2 to be KHgC3(SN)3" +mp-556327,K2HgC2S2(BrN)2,-5.1968012197,-0.7391870844,0.1222946642,0.1222946642,GGA,P6_3/m,A2B2CD2E2F2_hP66_176_2h_i_h_bfh_i_i:Br-C-Hg-K-N-S,66.0,"Invalid WP multiplicities - A2B2CD2E2F2_hP66_176_8h_i_h_2b4f4h_i_i:Br-C-Hg-K-N-S, expected K22Hg3C6S6(Br4N)6 to be K2HgC2S2(BrN)2" +mp-728443,RbC3S2(O2F3)2,-5.7227318025,-1.4605406191,0.4639916113,0.4639916113,GGA,C2/c,A3B6C4DE2_mC128_15_3f_6f_4f_f_2f:C-F-O-Rb-S,64.0,A3B6C4DE2_mC128_15_3f_6f_4f_f_2f:C-F-O-Rb-S +mp-636952,LiCS(OF)3,-5.9810633717,-1.9978921203,0.1643369124,0.1643369124,GGA,P2_1/c,AB3CD3E_mP36_14_e_3e_e_3e_e:C-F-Li-O-S,36.0,"Invalid WP multiplicities - AB3CD3E_mP36_14_e_10e_e_11e_e:C-F-Li-O-S, expected LiCSO11F10 to be LiCS(OF)3" +mp-555189,Rb2LiC3S3(OF)9,-5.9192976101,-2.004895899,0.1515802037,0.1515802037,GGA,P2_1/c,A3B9CD9E2F3_mP108_14_3e_9e_e_9e_2e_3e:C-F-Li-O-Rb-S,108.0,"Invalid WP multiplicities - A3B9CD9E2F3_mP108_14_8e_32e_e_30e_5e_8e:C-F-Li-O-Rb-S, expected Rb5LiC8S8(O15F16)2 to be Rb2LiC3S3(OF)9" +mp-6858,RbCS(OF)3,-5.8858892789,-2.005872338,0.1321688033,0.1321688033,GGA,P2_1,AB3C3DE_mP18_4_a_3a_3a_a_a:C-F-O-Rb-S,18.0,"Invalid WP multiplicities - AB3C3DE_mP18_4_a_5a_4a_a_a:C-F-O-Rb-S, expected RbCSO4F5 to be RbCS(OF)3" +mp-672209,RbCS(OF)3,-5.8771012449,-1.997084304,0.1409568373,0.1409568373,GGA,Cm,AB3C3DE_mC144_8_2a3b_2a11b_2a11b_2a3b_2a3b:C-F-O-Rb-S,72.0,"Invalid WP multiplicities - AB3C3DE_mC144_8_2a6b_2a21b_2a22b_2a5b_2a4b:C-F-O-Rb-S, expected Rb6C7S5O23F22 to be RbCS(OF)3" +mp-1179382,TeC4S4(N4Cl)2,-6.4340547653,0.2497768164,0.4996873077,0.4996873077,GGA,C2/c,A4B2C8D4E_mC76_15_2f_f_4f_2f_e:C-Cl-N-S-Te,38.0,A4B2C8D4E_mC76_15_2f_f_4f_2f_e:C-Cl-N-S-Te +mp-1179389,TeC4S4N8(ClO)2,-6.2670014314,0.2513879721,0.7304037402,0.7304037402,GGA,P2_1/c,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te,42.0,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te +mp-1196751,TeC4S4N8(ClO)2,-6.1309965729,0.3873928306,0.8664085987,0.8664085987,GGA,P2_1/c,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te,42.0,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te +mp-726682,TeC4S4N8(ClO)2,-6.2314404036,0.2869489999,0.765964768,0.765964768,GGA,P2_1/c,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te,42.0,A4B2C8D2E4F_mP42_14_2e_e_4e_e_2e_a:C-Cl-N-O-S-Te +mp-1179294,TeC2S2(N2Cl)2,-5.8113470895,0.2719792406,0.6128098413,0.6128098413,GGA,C2/c,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-Cl-N-S-Te,22.0,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-Cl-N-S-Te +mp-1191376,TeC2S2(N2Cl)2,-5.3657071582,0.717619172,1.0584497727,1.0584497727,GGA,C2/c,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-Cl-N-S-Te,22.0,A2B2C4D2E_mC44_15_f_f_2f_f_e:C-Cl-N-S-Te +mp-1179087,TeC2(NO2)4,-6.0674713017,0.2338704496,1.3785438661,1.3785438661,GGA,C2/c,A2B4C8D_mC60_15_f_2f_4f_e:C-N-O-Te,30.0,A2B4C8D_mC60_15_f_2f_4f_e:C-N-O-Te +mp-1194055,TeC2(NO2)4,-5.8119476353,0.4893941159,1.6340675324,1.6340675324,GGA,C2/c,A2B4C8D_mC60_15_f_2f_4f_e:C-N-O-Te,30.0,A2B4C8D_mC60_15_f_2f_4f_e:C-N-O-Te +mp-728499,TeS4(NO3)2,-5.0623155794,0.0178557651,1.089160864,1.089160864,GGA,P2_1/c,A2B6C4D_mP52_14_2e_6e_4e_e:N-O-S-Te,52.0,A2B6C4D_mP52_14_2e_6e_4e_e:N-O-S-Te +mp-1205055,TeC4S4N8(ClO4)2,-6.0946182906,0.0745042924,1.037186756,1.037186756,GGA,P-1,A4B2C8D8E4F_aP54_2_4i_2i_8i_8i_4i_i:C-Cl-N-O-S-Te,54.0,A4B2C8D8E4F_aP54_2_4i_2i_8i_8i_4i_i:C-Cl-N-O-S-Te +mp-1200814,BH12N4F3,-5.3715275273,-1.0479014816,0.0584193762,0.0584193762,GGA,Pna2_1,AB3C12D4_oP80_33_a_3a_12a_4a:B-F-H-N,80.0,AB3C12D4_oP80_33_a_3a_12a_4a:B-F-H-N +mp-697120,BH3NF4,-5.6528600878,-2.0039733432,0.0482433605,0.0482433605,GGA,P-1,AB4C3D_aP18_2_i_4i_3i_i:B-F-H-N,18.0,AB4C3D_aP18_2_i_4i_3i_i:B-F-H-N +mp-720847,BH2NCl2,-5.3474451593,-1.0977098083,0.0050901586,0.0050901586,GGA,Pnma,AB2C2D_oP72_62_cd_2c2d_2c2d_cd:B-Cl-H-N,72.0,AB2C2D_oP72_62_cd_2c2d_2c2d_cd:B-Cl-H-N +mp-720391,BH4NF4,-5.5951908632,-1.9719201887,0.0,-0.0508647009,GGA,Pnma,AB4C4D_oP40_62_c_2cd_2cd_c:B-F-H-N,40.0,AB4C4D_oP40_62_c_2cd_2cd_c:B-F-H-N +mp-706612,BH5(NF2)2,-5.5994874235,-1.6026601139,0.1037704723,0.1037704723,GGA,C2/c,AB4C5D2_mC96_15_f_4f_5f_2f:B-F-H-N,48.0,AB4C5D2_mC96_15_f_4f_5f_2f:B-F-H-N +mp-1106172,BH5NCl,-4.8214710713,-0.5929643736,0.0584226139,0.0584226139,GGA,Cmc2_1,ABC5D_oC32_36_a_a_a2b_a:B-Cl-H-N,16.0,ABC5D_oC32_36_a_a_a2b_a:B-Cl-H-N +mp-1201834,CoBH18N6(ClF2)2,-5.2795981394,-1.0227626045,0.0232286717,0.0232286717,GGA+U,P2_1/c,AB2CD4E18F6_mP128_14_e_2e_ad_4e_18e_6e:B-Cl-Co-F-H-N,128.0,AB2CD4E18F6_mP128_14_e_2e_ad_4e_18e_6e:B-Cl-Co-F-H-N +mp-24160,BH3NF3,-5.8150475036,-1.9489847869,0.0,-0.0089733582,GGA,Pbca,AB3C3D_oP64_61_c_3c_3c_c:B-F-H-N,64.0,AB3C3D_oP64_61_c_3c_3c_c:B-F-H-N +mp-1199782,CoH16C6(N3O4)2,-6.0922191978,-0.5150190165,0.391573647,0.391573647,GGA+U,P2_1/c,A6BC16D6E8_mP148_14_6e_ad_16e_6e_8e:C-Co-H-N-O,148.0,A6BC16D6E8_mP148_14_6e_ad_16e_6e_8e:C-Co-H-N-O +mp-1195455,CoH13C2N4O9,-6.0711136676,-0.983621755,0.14833922,0.14833922,GGA+U,P2_1/c,A2BC13D4E9_mP116_14_2e_e_13e_4e_9e:C-Co-H-N-O,116.0,A2BC13D4E9_mP116_14_2e_e_13e_4e_9e:C-Co-H-N-O +mp-1201582,CoH8C3(NO3)2,-6.3088041349,-0.8943418974,0.2065062809,0.2065062809,GGA+U,P2_12_12_1,A3BC8D2E6_oP80_19_3a_a_8a_2a_6a:C-Co-H-N-O,80.0,A3BC8D2E6_oP80_19_3a_a_8a_2a_6a:C-Co-H-N-O +mp-1203013,CoH7C3NO7,-6.3575951325,-1.0151365803,0.2368072604,0.2368072604,GGA+U,P2_12_12_1,A3BC7DE7_oP76_19_3a_a_7a_a_7a:C-Co-H-N-O,76.0,A3BC7DE7_oP76_19_3a_a_7a_a_7a:C-Co-H-N-O +mp-1197773,Pt2CN4O7,-6.7202179421,-0.3385227413,0.5119367066,0.5119367066,GGA,P2_1/c,AB4C7D2_mP56_14_e_4e_7e_2e:C-N-O-Pt,56.0,AB4C7D2_mP56_14_e_4e_7e_2e:C-N-O-Pt +mp-1226354,CoH4C4(NO3)2,-6.7128260362,-0.5982962678,0.5621051406,0.5621051406,GGA+U,C2/c,A4BC4D2E6_mC68_15_2f_c_2f_f_3f:C-Co-H-N-O,34.0,A4BC4D2E6_mC68_15_2f_a_2f_f_3f:C-Co-H-N-O +mp-1195103,CoH10C4(NO2)4,-6.515015286,-0.9272475229,0.1620792082,0.1620792082,GGA+U,Pna2_1,A4BC10D4E8_oP108_33_4a_a_10a_4a_8a:C-Co-H-N-O,108.0,A4BC10D4E8_oP108_33_4a_a_10a_4a_8a:C-Co-H-N-O +mp-698295,CoH14C10(N4O)2,-6.607168398,-0.2220691359,0.2190557253,0.2190557253,GGA+U,C2/m,A10BC14D8E2_mC70_12_3ij_a_3i2j_2ij_i:C-Co-H-N-O,35.0,A10BC14D8E2_mC70_12_3ij_a_3i2j_2ij_i:C-Co-H-N-O +mp-1204304,CoH20C22(N5O3)2,-6.7681465253,-0.1403743042,0.3898228271,0.3898228271,GGA+U,P2/c,A22BC20D10E6_mP118_13_2e10g_e_10g_2e4g_3g:C-Co-H-N-O,118.0,A22BC20D10E6_mP118_13_2e10g_e_10g_2e4g_3g:C-Co-H-N-O +mp-1226333,CoH8C6(N3O)2,-6.7012543443,-0.199755819,0.3156344658,0.3156344658,GGA+U,P-1,A6BC8D6E2_aP23_2_3i_a_4i_3i_i:C-Co-H-N-O,23.0,"Invalid WP multiplicities - A6BC8D6E2_aP23_2_5i_a_6i_5i_i:C-Co-H-N-O, expected CoH12C10(N5O)2 to be CoH8C6(N3O)2" +mp-1200629,CoH14C2(NO)12,-6.2192974902,-0.5494921965,0.4406034242,0.4406034242,GGA+U,P-1,A2BC14D12E12_aP41_2_i_a_7i_6i_6i:C-Co-H-N-O,41.0,A2BC14D12E12_aP41_2_i_a_7i_6i_6i:C-Co-H-N-O +mp-744002,CoH16C3N8O7,-6.1810964657,-0.7411904265,0.1280944927,0.1280944927,GGA+U,Cc,A3BC16D8E7_mC140_9_3a_a_16a_8a_7a:C-Co-H-N-O,70.0,A3BC16D8E7_mC140_9_3a_a_16a_8a_7a:C-Co-H-N-O +mp-1204121,CoH7C4(NO3)2,-6.556853048,-0.8505938381,0.2216275949,0.2216275949,GGA+U,Pnna,A4BC7D2E6_oP80_52_2ce_d_c3e_e_3e:C-Co-H-N-O,80.0,A4BC7D2E6_oP80_52_2ce_d_c3e_e_3e:C-Co-H-N-O +mp-698277,CoH10C4(N2O3)2,-6.5283059649,-0.8892518776,0.0651053526,0.0651053526,GGA+U,C2/c,A4BC10D4E6_mC400_15_8f_2f_20f_8f_12f:C-Co-H-N-O,200.0,A4BC10D4E6_mC400_15_8f_2f_20f_8f_12f:C-Co-H-N-O +mp-1197411,CoH20PtC4(NO3)4,-6.0741716724,-1.0585793338,0.0484559426,0.0484559426,GGA+U,I222,A4BC20D4E12F_oI84_23_k_a_5k_k_fg2k_b:C-Co-H-N-O-Pt,42.0,A4BC20D4E12F_oI84_23_k_a_5k_k_fg2k_b:C-Co-H-N-O-Pt +mp-746670,CoH22C3(N3O4)2,-5.8565730517,-0.8809038891000001,0.0377790488,0.0377790488,GGA+U,Pnnm,A3BC22D6E8_oP160_58_gh_ab_2g10h_2g2h_2g3h:C-Co-H-N-O,160.0,A3BC22D6E8_oP160_58_gh_ab_2g10h_2g2h_2g3h:C-Co-H-N-O +mp-734885,CoH17C(NO)8,-5.8924775531,-0.7416548348,0.1800505344,0.1800505344,GGA+U,Cc,ABC17D8E8_mC140_9_a_a_17a_8a_8a:C-Co-H-N-O,70.0,ABC17D8E8_mC140_9_a_a_17a_8a_8a:C-Co-H-N-O +mp-1198533,CoH12CN5O6,-5.9683454253,-0.8318533165,0.1248393265,0.1248393265,GGA+U,P2_1/c,ABC12D5E6_mP100_14_e_e_12e_5e_6e:C-Co-H-N-O,100.0,ABC12D5E6_mP100_14_e_e_12e_5e_6e:C-Co-H-N-O +mp-1200667,CoH9C3N7O2,-6.3653424334,-0.2936292255,0.2741678981,0.2741678981,GGA+U,P2_1/c,A3BC9D7E2_mP88_14_3e_e_9e_7e_2e:C-Co-H-N-O,88.0,A3BC9D7E2_mP88_14_3e_e_9e_7e_2e:C-Co-H-N-O +mp-1226146,CoH7C3NO6,-6.3738626336,-1.0094168681,0.1572691449,0.1572691449,GGA+U,C2,A3BC7DE6_mC72_5_ab2c_c_ab6c_c_6c:C-Co-H-N-O,36.0,"Invalid WP multiplicities - A3BC7DE6_mC72_5_ab4c_c_ab12c_c_12c:C-Co-H-N-O, expected CoH13C5NO12 to be CoH7C3NO6" +mp-1195522,CoH7C3NO6,-6.4418628202,-1.0774170546,0.0892689583,0.0892689583,GGA+U,P6_3,A3BC7DE6_hP108_173_3c_c_a2b6c_a2b_6c:C-Co-H-N-O,108.0,A3BC7DE6_hP108_173_3c_c_a2b6c_a2b_6c:C-Co-H-N-O +mp-1214088,CoH20C4(N5O6)2,-6.2515694572000005,-0.8344904264,0.1542719616,0.1542719616,GGA+U,P2_1/c,A4BC20D10E12_mP94_14_2e_a_10e_5e_6e:C-Co-H-N-O,94.0,A4BC20D10E12_mP94_14_2e_a_10e_5e_6e:C-Co-H-N-O +mp-1198550,Co2H22C(N2O3)4,-5.8548789259,-0.8740456368,0.144136599,0.144136599,GGA+U,P-1,AB2C22D8E12_aP90_2_i_2i_22i_8i_12i:C-Co-H-N-O,90.0,AB2C22D8E12_aP90_2_i_2i_22i_8i_12i:C-Co-H-N-O +mp-1195037,Co3H18C8(N3O4)2,-6.3097601933,-0.5931130915,0.2131362077,0.2131362077,GGA+U,R-3,A8B3C18D6E8_hR129_148_cf_ac_3f_f_cf:C-Co-H-N-O,43.0,A8B3C18D6E8_hR129_148_cf_ac_3f_f_cf:C-Co-H-N-O +mp-604702,H10PtC(N4O)2,-6.0501935707,-0.3314482941,0.2112471079,0.2112471079,GGA,P-1,AB10C8D2E_aP44_2_i_10i_8i_2i_i:C-H-N-O-Pt,44.0,"Invalid WP multiplicities - AB10C8D2E_aP44_2_i_19i_16i_2i_i:C-H-N-O-Pt, expected H19PtC(N8O)2 to be H10PtC(N4O)2" +mp-1209601,PtC2(NO2)2,-6.8773658611,-0.1008981944,1.0793310933,1.0793310933,GGA,P2_1/m,A2B2C4D_mP18_11_f_f_2f_e:C-N-O-Pt,18.0,A2B2C4D_mP18_11_f_f_2f_e:C-N-O-Pt +mp-850513,H12PtC6(N3O4)2,-6.6569121729,-0.8463570803,0.1019564324,0.1019564324,GGA,P2_1/c,A6B12C6D8E_mP66_14_3e_6e_3e_4e_a:C-H-N-O-Pt,66.0,"Invalid WP multiplicities - A6B12C6D8E_mP66_14_4e_23e_9e_13e_a:C-H-N-O-Pt, expected H46PtC8(N9O13)2 to be H12PtC6(N3O4)2" +mp-1198099,CoH18C2(NO)16,-6.1777860965,-0.533151082,0.4183170952,0.4183170952,GGA+U,P2_1/c,A2BC18D16E16_mP106_14_e_a_9e_8e_8e:C-Co-H-N-O,106.0,A2BC18D16E16_mP106_14_e_a_9e_8e_8e:C-Co-H-N-O +mp-728656,CoH16C4(NO)7,-5.9927449651,-0.5273483383,0.3552600596,0.3552600596,GGA+U,P2_1/c,A4BC16D7E7_mP140_14_4e_e_16e_7e_7e:C-Co-H-N-O,140.0,A4BC16D7E7_mP140_14_4e_e_16e_7e_7e:C-Co-H-N-O +mp-1226766,CoH8C4(NO2)3,-6.4818616773,-0.7612068969,0.2558636259,0.2558636259,GGA+U,Pna2_1,A4BC8D3E6_oP88_33_4a_a_8a_3a_6a:C-Co-H-N-O,88.0,"Invalid WP multiplicities - A4BC8D3E6_oP88_33_8a_a_20a_7a_18a:C-Co-H-N-O, expected CoH20C8N7O18 to be CoH8C4(NO2)3" +mp-1202804,CoH9C4(NO2)3,-6.4997454858,-0.8803049983000001,0.117437889,0.117437889,GGA+U,Pnna,A4BC9D3E6_oP92_52_2ce_d_c4e_ce_3e:C-Co-H-N-O,92.0,A4BC9D3E6_oP92_52_2ce_d_c4e_ce_3e:C-Co-H-N-O +mp-562903,CoH18C4N7O8,-5.8545713761,-0.5119128829,0.4046505806,0.4046505806,GGA+U,P2_1/m,A4BC18D7E8_mP76_11_2ef_a_2e8f_e3f_4f:C-Co-H-N-O,76.0,"Invalid WP multiplicities - A4BC18D7E8_mP76_11_3e3f_a_4e31f_2e9f_15f:C-Co-H-N-O, expected CoH66C9(N2O3)10 to be CoH18C4N7O8" +mp-728934,CoH9C4NO6,-6.2559379,-0.8952645018000001,0.1552081436,0.1552081436,GGA+U,Pnma,A4BC9DE6_oP84_62_2cd_a_3c3d_c_3d:C-Co-H-N-O,84.0,A4BC9DE6_oP84_62_2cd_a_3c3d_c_3d:C-Co-H-N-O +mp-2716056,Na7Zn3GeP5SO24,-6.4651905481,-2.3777898845,0.0732170034,0.0732170034,GGA,P1,AB7C24D5EF3_aP123_1_3a_21a_72a_15a_3a_9a:Ge-Na-O-P-S-Zn,123.0,AB7C24D5EF3_aP123_1_3a_21a_72a_15a_3a_9a:Ge-Na-O-P-S-Zn +mp-2715008,Na5Zn2Ge2P5SO24,-6.6657517037,-2.3503245019,0.0855171841,0.0855171841,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ge-Na-O-P-S-Zn,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ge-Na-O-P-S-Zn +mp-2714082,NaZn2Ge2PS5O24,-6.4384146935,-1.9268675754,0.0426515903,0.0426515903,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ge-Na-O-P-S-Zn,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ge-Na-O-P-S-Zn +mp-2713798,Na3Zn2Ge2P3(SO8)3,-6.5888136185,-2.1806269968,0.057569428,0.057569428,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ge-Na-O-P-S-Zn,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ge-Na-O-P-S-Zn +mp-2716314,NaZnGe3P3(SO8)3,-6.8028918022,-2.1222878405,0.0459680964,0.0459680964,GGA,P1,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ge-Na-O-P-S-Zn,105.0,A3BC24D3E3F_aP105_1_9a_3a_72a_9a_9a_3a:Ge-Na-O-P-S-Zn +mp-2714658,Na5Zn3GeP3(SO8)3,-6.364829314,-2.2011197924,0.0776866223,0.0776866223,GGA,P1,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-P-S-Zn,117.0,AB5C24D3E3F3_aP117_1_3a_15a_72a_9a_9a_9a:Ge-Na-O-P-S-Zn +mp-2713641,Na3Zn3GePS5O24,-6.2574372931,-2.0091693072,0.0494644797,0.0494644797,GGA,P1,AB3C24DE5F3_aP111_1_3a_9a_72a_3a_15a_9a:Ge-Na-O-P-S-Zn,111.0,AB3C24DE5F3_aP111_1_3a_9a_72a_3a_15a_9a:Ge-Na-O-P-S-Zn +mp-2715903,Na3ZnGe3P5SO24,-6.918142174,-2.3500369165,0.0591024692,0.0591024692,GGA,P1,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Ge-Na-O-P-S-Zn,111.0,A3B3C24D5EF_aP111_1_9a_9a_72a_15a_3a_3a:Ge-Na-O-P-S-Zn +mp-2713677,Na2ZnGeP2SO12,-6.6026933961,-2.2421070031,0.1001509896,0.1001509896,GGA,Cc,AB2C12D2EF_mC76_9_a_2a_12a_2a_a_a:Ge-Na-O-P-S-Zn,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC76_9_a_2a_60a_7a_a_a:Ge-Na-O-P-S-Zn, expected Na2ZnGeP7SO60 to be Na2ZnGeP2SO12" +mp-2712673,Na2ZnGe3P4(SO12)2,-6.8734866812,-2.2506945536,0.0506925313,0.0506925313,GGA,P1,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ge-Na-O-P-S-Zn,108.0,A3B2C24D4E2F_aP108_1_9a_6a_72a_12a_6a_3a:Ge-Na-O-P-S-Zn +mp-2712529,Na6Zn3GeP4(SO12)2,-6.4182883451,-2.2936871132,0.0783915818,0.0783915818,GGA,P1,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ge-Na-O-P-S-Zn,120.0,AB6C24D4E2F3_aP120_1_3a_18a_72a_12a_6a_9a:Ge-Na-O-P-S-Zn +mp-2712874,ZnGe3P2(SO6)4,-6.7211713022,-1.9793548102,0.0112018785,0.0112018785,GGA,P1,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Ge-O-P-S-Zn,102.0,A3B24C2D4E_aP102_1_9a_72a_6a_12a_3a:Ge-O-P-S-Zn +mp-2713189,Na4Zn3GeP2(SO6)4,-6.3130257598,-2.1081496175,0.0699650473,0.0699650473,GGA,P1,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Ge-Na-O-P-S-Zn,114.0,AB4C24D2E4F3_aP114_1_3a_12a_72a_6a_12a_9a:Ge-Na-O-P-S-Zn +mp-2715819,NaZnGeP(SO6)2,-6.4995410574,-2.04110975,0.0739000165,0.0739000165,GGA,Cc,ABC12DE2F_mC216_9_3a_3a_36a_3a_6a_3a:Ge-Na-O-P-S-Zn,108.0,"Invalid WP multiplicities - ABC12DE2F_mC216_9_3a_3a_60a_3a_9a_3a:Ge-Na-O-P-S-Zn, expected NaZnGePS3O20 to be NaZnGeP(SO6)2" +mp-1195646,NaVH2(OF2)2,-5.8704581688,-2.3973404942,0.0,-0.0192004117,GGA+U,Pna2_1,A4B2CD2E_oP40_33_4a_2a_a_2a_a:F-H-Na-O-V,40.0,A4B2CD2E_oP40_33_4a_2a_a_2a_a:F-H-Na-O-V +mp-1198199,Na2V2NiH4(OF)6,-6.1013040571,-2.22926074,0.0119837017,0.0119837017,GGA+U,P2_1/c,A6B4C2DE6F2_mP42_14_3e_2e_e_a_3e_e:F-H-Na-Ni-O-V,42.0,A6B4C2DE6F2_mP42_14_3e_2e_e_a_3e_e:F-H-Na-Ni-O-V +mp-1199615,VNiH14(O2F)4,-5.5342388871,-1.6206091392,0.0,-6.67235e-05,GGA+U,P-1,A4B14CD8E_aP112_2_8i_28i_abcg_16i_2i:F-H-Ni-O-V,112.0,A4B14CD8E_aP112_2_8i_28i_abcg_16i_2i:F-H-Ni-O-V +mp-1191842,Na2VNiF7,-5.7305480595,-2.9224165951,0.0,-0.0016100473,GGA+U,Imma,A7B2CD_oI44_74_ehj_ac_d_b:F-Na-Ni-V,22.0,A7B2CD_oI44_74_ehj_ac_d_b:F-Na-Ni-V +mp-1178079,Li12MnCr3P4(CO7)4,-7.3599573446,-2.3964306520000003,0.0700450421,0.0700450421,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Cr-Li-Mn-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Cr-Li-Mn-O-P +mp-753761,Li6MnCrP2(CO7)2,-7.3592378785,-2.4051541124,0.0623457573,0.0623457573,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Cr-Li-Mn-O-P,26.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Cr-Li-Mn-O-P +mp-766531,Li12Mn3CrP4(CO7)4,-7.351412456,-2.4067716164,0.0617524289,0.0617524289,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Cr-Li-Mn-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Cr-Li-Mn-O-P +mp-1194924,CaH12C2N7ClO6,-6.1223938128,-0.9134359918,0.1745417802,0.1745417802,GGA,P2_1/c,A2BCD12E7F6_mP116_14_2e_e_e_12e_7e_6e:C-Ca-Cl-H-N-O,116.0,A2BCD12E7F6_mP116_14_2e_e_e_12e_7e_6e:C-Ca-Cl-H-N-O +mp-720384,CaH6C2(NO)4,-6.6155834535,-1.0889939429,0.102262699,0.102262699,GGA,P2_1/c,A2BC6D4E4_mP68_14_2e_e_6e_4e_4e:C-Ca-H-N-O,68.0,A2BC6D4E4_mP68_14_2e_e_6e_4e_4e:C-Ca-H-N-O +mp-735603,CaH16C4N8(ClO2)2,-5.8352986783,-0.5958796459,0.304577257,0.304577257,GGA,P2_1/c,A4BC2D16E8F4_mP70_14_2e_a_e_8e_4e_2e:C-Ca-Cl-H-N-O,70.0,A4BC2D16E8F4_mP70_14_2e_a_e_8e_4e_2e:C-Ca-Cl-H-N-O +mp-1182729,CaH16C4N8(ClO2)2,-6.1380115909,-0.8985925584000001,0.0018643444,0.0018643444,GGA,P2_1/c,A4BC2D16E8F4_mP70_14_2e_a_e_8e_4e_2e:C-Ca-Cl-H-N-O,70.0,A4BC2D16E8F4_mP70_14_2e_a_e_8e_4e_2e:C-Ca-Cl-H-N-O +mp-1214267,CaH16C4(N7O2)2,-6.5660684824,-0.6762848321,0.0113234787,0.0113234787,GGA,C2/c,A4BC16D14E4_mC156_15_2f_e_8f_7f_2f:C-Ca-H-N-O,78.0,A4BC16D14E4_mC156_15_2f_e_8f_7f_2f:C-Ca-H-N-O +mp-720586,CaH4NClO5,-5.7714321599,-1.5635172265,0.0,-0.0006456878,GGA,Pbca,ABC4DE5_oP96_61_c_c_4c_c_5c:Ca-Cl-H-N-O,96.0,ABC4DE5_oP96_61_c_c_4c_c_5c:Ca-Cl-H-N-O +mp-644418,CaH2CClO3,-6.3352852412,-1.9967452092,0.0158916766,0.0158916766,GGA,C2/m,ABCD2E3_mC32_12_g_i_i_j_hj:C-Ca-Cl-H-O,16.0,ABCD2E3_mC32_12_g_i_i_j_hj:C-Ca-Cl-H-O +mp-1201531,CaH8C2N4O5,-6.3953217318,-1.1111136077,0.1016866245,0.1016866245,GGA,P-1,A2BC8D4E5_aP40_2_2i_i_8i_4i_5i:C-Ca-H-N-O,40.0,A2BC8D4E5_aP40_2_2i_i_8i_4i_5i:C-Ca-H-N-O +mp-1203505,CaC2ClO7,-6.2758181575,-1.0996101117,0.7077155576,0.7077155576,GGA,P2_1/c,A2BCD7_mP44_14_2e_e_e_7e:C-Ca-Cl-O,44.0,A2BCD7_mP44_14_2e_e_e_7e:C-Ca-Cl-O +mp-1214366,CaH6C6(ClO4)2,-6.3318869817,-1.070820368,0.3738126537,0.3738126537,GGA,C2/m,A6BC2D6E8_mC92_12_3j_i_j_3j_g3i2j:C-Ca-Cl-H-O,46.0,A6BC2D6E8_mC92_12_3j_i_j_3j_g3i2j:C-Ca-Cl-H-O +mp-721699,CaH16C4(NO)10,-6.4277126513,-0.9146464335,0.1516053564,0.1516053564,GGA,P2_1/c,A4BC16D10E10_mP82_14_2e_a_8e_5e_5e:C-Ca-H-N-O,82.0,A4BC16D10E10_mP82_14_2e_a_8e_5e_5e:C-Ca-H-N-O +mp-1212835,DyGa3(BO3)4,-7.774495639499999,-2.7860503132,0.0148406344,0.0148406344,GGA,R32,A4BC3D12_hR60_155_ad_b_e_2df:B-Dy-Ga-O,20.0,A4BC3D12_hR60_155_ad_b_e_2df:B-Dy-Ga-O +mp-1210126,NaSm(CO3)2,-7.9423577535,-2.5245002854000003,0.0,-0.139160848,GGA,Pmc2_1,A2BC6D_oP20_26_ab_a_ab2c_b:C-Na-O-Sm,20.0,A2BC6D_oP20_26_ab_a_ab2c_b:C-Na-O-Sm +mp-1203390,NaSmP2H4CO7,-6.7928689406,-2.1494872473,0.0569296573,0.0569296573,GGA,P2_1/c,AB4CD7E2F_mP64_14_e_4e_e_7e_2e_e:C-H-Na-O-P-Sm,64.0,AB4CD7E2F_mP64_14_e_4e_e_7e_2e_e:C-H-Na-O-P-Sm +mp-767523,Na2SmPCO7,-7.4655692262,-2.7462004179,0.0273129769,0.0273129769,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Sm,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Sm, expected Na2SmPCO13 to be Na2SmPCO7" +mp-1191715,SmP2H2CO6,-7.260326315,-2.1570395651,0.2333429647,0.2333429647,GGA,C2/m,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Sm,24.0,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Sm +mp-1097004,H6PbCNCl3,-4.7162487175,-0.7846009060000001,0.0421447266,0.0421447266,GGA,P1,AB3C6DE_aP48_1_4a_12a_24a_4a_4a:C-Cl-H-N-Pb,48.0,AB3C6DE_aP48_1_4a_12a_24a_4a_4a:C-Cl-H-N-Pb +mp-1021464,H6PbCNCl3,-4.7229246908,-0.7912768794,0.0354687532,0.0354687532,GGA,Pm,AB3C6DE_mP12_6_a_a2b_2a2c_a_b:C-Cl-H-N-Pb,12.0,AB3C6DE_mP12_6_a_a2b_2a2c_a_b:C-Cl-H-N-Pb +mp-1190823,PbS2N3,-5.2265615121,0.9392770844,1.2505594479,1.2505594479,GGA,P2_1/c,A3BC2_mP24_14_3e_e_2e:N-Pb-S,24.0,A3BC2_mP24_14_3e_e_2e:N-Pb-S +mp-1212614,H12PbN3Cl5,-4.6269941154000005,-0.8804451780000001,0.0,-0.0036907132,GGA,Pnma,A5B12C3D_oP84_62_c2d_2c5d_cd_c:Cl-H-N-Pb,84.0,A5B12C3D_oP84_62_c2d_2c5d_cd_c:Cl-H-N-Pb +mp-726750,Pb(SN)2,-5.5344563705,0.1972509602,0.5707897965000001,0.5707897965000001,GGA,P2_1/c,A2BC2_mP20_14_2e_e_2e:N-Pb-S,20.0,A2BC2_mP20_14_2e_e_2e:N-Pb-S +mp-614185,Pb(SN)2,-5.605964593,0.1257427378,0.499281574,0.499281574,GGA,P2_12_12_1,A2BC2_oP20_19_2a_a_2a:N-Pb-S,20.0,"Invalid WP multiplicities - A2BC2_oP20_19_6a_a_7a:N-Pb-S, expected PbS7N6 to be Pb(SN)2" +mp-2646973,H5PbCN2Cl3,-5.1225981375,-0.7789695860000001,0.061695994,0.061695994,GGA,Pmm2,AB3C5D2E_oP12_25_a_bcd_a2e_e_d:C-Cl-H-N-Pb,12.0,AB3C5D2E_oP12_25_a_bcd_a2e_e_d:C-Cl-H-N-Pb +mp-722351,H3PbS2N3,-5.3767537822,-0.1352860363,0.2855904848,0.2855904848,GGA,P2_1/c,A3B3CD2_mP36_14_3e_3e_e_2e:H-N-Pb-S,36.0,A3B3CD2_mP36_14_3e_3e_e_2e:H-N-Pb-S +mp-1213279,H5PbC2SN6Cl,-6.220595235,-0.2744974627,0.1921627091,0.1921627091,GGA,P2_1/c,A2BC5D6EF_mP64_14_2e_e_5e_6e_e_e:C-Cl-H-N-Pb-S,64.0,A2BC5D6EF_mP64_14_2e_e_5e_6e_e_e:C-Cl-H-N-Pb-S +mp-1198665,PbC2S2(N2Cl)2,-5.8956241355,0.2394604835,0.744396135,0.744396135,GGA,Pna2_1,A2B2C4DE2_oP44_33_2a_2a_4a_a_2a:C-Cl-N-Pb-S,44.0,A2B2C4DE2_oP44_33_2a_2a_4a_a_2a:C-Cl-N-Pb-S +mp-20605,PbC2(SN)2,-6.8708297329,-0.1399914988,0.1464058532,0.1464058532,GGA,C2/c,A2B2CD2_mC28_15_f_f_e_f:C-N-Pb-S,14.0,A2B2CD2_mC28_15_f_f_e_f:C-N-Pb-S +mp-672333,PbCSNCl,-6.015601002,-0.5630421991,0.1057185618,0.1057185618,GGA,Pnma,ABCDE_oP20_62_c_c_c_c_c:C-Cl-N-Pb-S,20.0,ABCDE_oP20_62_c_c_c_c_c:C-Cl-N-Pb-S +mp-1215839,ZnH7C3NO6,-6.14951025,-1.1099852725,0.1017426021,0.1017426021,GGA,C2,A3B7CD6E_mC72_5_ab2c_ab6c_c_6c_c:C-H-N-O-Zn,36.0,"Invalid WP multiplicities - A3B7CD6E_mC72_5_ab4c_ab12c_c_12c_c:C-H-N-O-Zn, expected ZnH13C5NO12 to be ZnH7C3NO6" +mp-1204510,ZnH7C3NO6,-6.1595003266,-1.1199753491,0.0917525255,0.0917525255,GGA,P6_3,A3B7CD6E_hP108_173_3c_a2b6c_a2b_6c_c:C-H-N-O-Zn,108.0,A3B7CD6E_hP108_173_3c_a2b6c_a2b_6c_c:C-H-N-O-Zn +mp-1201379,ZnH9C4NO6,-6.0499208196,-0.967750954,0.1239147132,0.1239147132,GGA,Pnma,A4B9CD6E_oP84_62_2cd_3c3d_c_3d_a:C-H-N-O-Zn,84.0,A4B9CD6E_oP84_62_2cd_3c3d_c_3d_a:C-H-N-O-Zn +mp-706627,ZnH6C2(NO)4,-6.3436346415,-0.8609190291000001,0.1045299552,0.1045299552,GGA,Pc,A2B6C4D4E_mP34_7_2a_6a_4a_4a_a:C-H-N-O-Zn,34.0,A2B6C4D4E_mP34_7_2a_6a_4a_4a_a:C-H-N-O-Zn +mp-1216298,ZnH8C4(NO2)3,-6.3141766788,-0.8593661795,0.2004501025,0.2004501025,GGA,Pna2_1,A4B8C3D6E_oP88_33_4a_8a_3a_6a_a:C-H-N-O-Zn,88.0,"Invalid WP multiplicities - A4B8C3D6E_oP88_33_8a_20a_7a_18a_a:C-H-N-O-Zn, expected ZnH20C8N7O18 to be ZnH8C4(NO2)3" +mp-1205040,ZnH22C5N18O17,-6.1491610892,-0.4952934574,0.4811623644,0.4811623644,GGA,P-1,A5B22C18D17E_aP126_2_5i_22i_18i_17i_i:C-H-N-O-Zn,126.0,A5B22C18D17E_aP126_2_5i_22i_18i_17i_i:C-H-N-O-Zn +mp-1195352,ZnH8C4(NO3)2,-6.107410269,-0.7898228377000001,0.3038680917,0.3038680917,GGA,P2_1/c,A4B8C2D6E_mP42_14_2e_4e_e_3e_a:C-H-N-O-Zn,42.0,A4B8C2D6E_mP42_14_2e_4e_e_3e_a:C-H-N-O-Zn +mp-601243,ZnH8C4(NO3)2,-5.8271701646,-0.5095827333,0.5841081961,0.5841081961,GGA,Pnna,A4B8C2D6E_oP84_52_2ce_2c3e_e_3e_d:C-H-N-O-Zn,84.0,"Invalid WP multiplicities - A4B8C2D6E_oP84_52_5c3e_7c20e_e_16e_d:C-H-N-O-Zn, expected ZnH47C11(NO16)2 to be ZnH8C4(NO3)2" +mp-1207713,ZnH7C4N3O7,-6.5848309406,-1.0593857747,0.0971188204,0.0971188204,GGA,P2_1/c,A4B7C3D7E_mP88_14_4e_7e_3e_7e_e:C-H-N-O-Zn,88.0,A4B7C3D7E_mP88_14_4e_7e_3e_7e_e:C-H-N-O-Zn +mp-1200249,ZnH24C6(N7O6)2,-6.2048233925,-0.6937996183,0.2032181136,0.2032181136,GGA,C2/c,A6B24C14D12E_mC228_15_3f_12f_7f_6f_e:C-H-N-O-Zn,114.0,A6B24C14D12E_mC228_15_3f_12f_7f_6f_e:C-H-N-O-Zn +mp-1203371,ZnH14C2(NO)12,-6.1158582593,-0.5887011163,0.4198445912,0.4198445912,GGA,P-1,A2B14C12D12E_aP41_2_i_7i_6i_6i_a:C-H-N-O-Zn,41.0,A2B14C12D12E_aP41_2_i_7i_6i_6i_a:C-H-N-O-Zn +mp-738612,ZnH16C3N8O7,-6.0545855044,-0.7817815848,0.1148949938,0.1148949938,GGA,Cc,A3B16C8D7E_mC140_9_3a_16a_8a_7a_a:C-H-N-O-Zn,70.0,A3B16C8D7E_mC140_9_3a_16a_8a_7a_a:C-H-N-O-Zn +mp-1208677,Zn2H16C4N18O7,-6.5271269153,-0.6036908400000001,0.0907309339,0.0907309339,GGA,P2_12_12,A4B16C18D7E2_oP188_18_4c_16c_18c_2a6c_2c:C-H-N-O-Zn,188.0,A4B16C18D7E2_oP188_18_4c_16c_18c_2a6c_2c:C-H-N-O-Zn +mp-540575,ZnHg2H14C4N6O13,-5.8326917256,-0.8175453822000001,0.3144945448,0.3144945448,GGA,C2/c,A4B14C2D6E13F_mC160_15_2f_7f_f_3f_e6f_a:C-H-Hg-N-O-Zn,80.0,A4B14C2D6E13F_mC160_15_2f_7f_f_3f_e6f_c:C-H-Hg-N-O-Zn +mp-1204620,ZnH9C4(NO2)3,-6.3167241588,-0.9515695054,0.086619793,0.086619793,GGA,Pnna,A4B9C3D6E_oP92_52_2ce_c4e_ce_3e_d:C-H-N-O-Zn,92.0,A4B9C3D6E_oP92_52_2ce_c4e_ce_3e_d:C-H-N-O-Zn +mp-1198633,ZnH20C4(N5O6)2,-6.1623176677,-0.8696763854,0.1394648559,0.1394648559,GGA,P2_1/c,A4B20C10D12E_mP94_14_2e_10e_5e_6e_a:C-H-N-O-Zn,94.0,A4B20C10D12E_mP94_14_2e_10e_5e_6e_a:C-H-N-O-Zn +mp-1198880,ZnH7C3NO7,-6.1298521195,-1.0952132613,0.1965439247,0.1965439247,GGA,P2_12_12_1,A3B7CD7E_oP76_19_3a_7a_a_7a_a:C-H-N-O-Zn,76.0,A3B7CD7E_oP76_19_3a_7a_a_7a_a:C-H-N-O-Zn +mp-1197145,HgH6C4(N2O)2,-6.272999155,-0.3427605828,0.2582218456,0.2582218456,GGA,P2_1/c,A4B6CD4E2_mP34_14_2e_3e_a_2e_e:C-H-Hg-N-O,34.0,A4B6CD4E2_mP34_14_2e_3e_a_2e_e:C-H-Hg-N-O +mp-1202589,ZnH5C9N4O5,-7.1127389167,-0.4727061448,0.3210169775,0.3210169775,GGA,P2_1/c,A9B5C4D5E_mP96_14_9e_5e_4e_5e_e:C-H-N-O-Zn,96.0,A9B5C4D5E_mP96_14_9e_5e_4e_5e_e:C-H-N-O-Zn +mp-1201835,ZnH8C3(NO3)2,-6.1040669714,-0.9820334431,0.1663420327,0.1663420327,GGA,Pna2_1,A3B8C2D6E_oP80_33_3a_8a_2a_6a_a:C-H-N-O-Zn,80.0,A3B8C2D6E_oP80_33_3a_8a_2a_6a_a:C-H-N-O-Zn +mp-1216152,ZnH9C5NO6,-5.9706339414,-0.6999870018000001,0.3420574987,0.3420574987,GGA,Cc,A5B9CD6E_mC88_9_5a_9a_a_6a_a:C-H-N-O-Zn,44.0,"Invalid WP multiplicities - A5B9CD6E_mC88_9_8a_18a_a_12a_a:C-H-N-O-Zn, expected ZnH18C8NO12 to be ZnH9C5NO6" +mp-698329,ZnH16C6(N3O5)2,-6.3829649479,-0.9880621288,0.0398333194,0.0398333194,GGA,C2/c,A6B16C6D10E_mC156_15_3f_8f_3f_5f_e:C-H-N-O-Zn,78.0,A6B16C6D10E_mC156_15_3f_8f_3f_5f_e:C-H-N-O-Zn +mp-698366,ZnH10C4(N2O3)2,-6.3303399766,-0.9252288567,0.0663390717,0.0663390717,GGA,C2/c,A4B10C4D6E_mC400_15_8f_20f_8f_12f_2f:C-H-N-O-Zn,200.0,A4B10C4D6E_mC400_15_8f_20f_8f_12f_2f:C-H-N-O-Zn +mp-604229,ZnH3CNO3,-6.1366267917,-1.2651658699,0.0,-0.0171177971,GGA,Pna2_1,AB3CD3E_oP36_33_a_3a_a_3a_a:C-H-N-O-Zn,36.0,"Invalid WP multiplicities - AB3CD3E_oP36_33_a_8a_a_9a_a:C-H-N-O-Zn, expected ZnH8CNO9 to be ZnH3CNO3" +mp-722315,ZnH3CNO3,-6.1223513658,-1.250890444,0.0142754258,-0.0028423713,GGA,Pna2_1,AB3CD3E_oP36_33_a_3a_a_3a_a:C-H-N-O-Zn,36.0,AB3CD3E_oP36_33_a_3a_a_3a_a:C-H-N-O-Zn +mp-1204092,Na6Zn3B9P6H3O38,-7.0782409542,-2.4249936815,0.0726225348,0.0726225348,GGA,P6_3,A9B3C6D38E6F3_hP130_173_3c_c_a2bc_ab12c_2c_c:B-H-Na-O-P-Zn,130.0,A9B3C6D38E6F3_hP130_173_3c_c_a2bc_ab12c_2c_c:B-H-Na-O-P-Zn +mp-1202725,NaZn(BH4)3,-3.9643416013,-0.2388617922,0.0377159958,0.0377159958,GGA,P2_1/c,A3B12CD_mP68_14_3e_12e_e_e:B-H-Na-Zn,68.0,A3B12CD_mP68_14_3e_12e_e_e:B-H-Na-Zn +mp-1203290,NaZn(BH4)3,-3.9858113294,-0.2603315202,0.0162462677,0.0162462677,GGA,P2_1/c,A3B12CD_mP68_14_3e_12e_e_e:B-H-Na-Zn,68.0,A3B12CD_mP68_14_3e_12e_e_e:B-H-Na-Zn +mp-1198157,ZnBP(HO3)2,-6.7506171964,-2.2217060832,0.0037159903,0.0037159903,GGA,Pbcn,AB2C6DE_oP88_60_d_2d_6d_d_2c:B-H-O-P-Zn,88.0,AB2C6DE_oP88_60_d_2d_6d_d_2c:B-H-O-P-Zn +mp-1210507,NaZnBP2O9,-6.8741982246,-2.2593079326,0.1716884685,0.1716884685,GGA,P6_122,ABC9D2E_hP84_178_b_b_a4c_c_b:B-Na-O-P-Zn,84.0,ABC9D2E_hP84_178_b_b_a4c_c_b:B-Na-O-P-Zn +mp-1211826,NaZnBP2O11,-6.3135466997,-1.6571816052,0.4699402457,0.4699402457,GGA,P6_122,ABC11D2E_hP96_178_b_b_a5c_c_b:B-Na-O-P-Zn,96.0,ABC11D2E_hP96_178_b_b_a5c_c_b:B-Na-O-P-Zn +mp-1201672,NaZn2(BH4)5,-3.9948625997,-0.2415235902,0.0,-0.0115490112,GGA,P2_1/c,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn,112.0,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn +mp-1203023,NaZn2(BH4)5,-3.9864375456,-0.2330985361,0.0084250541,-0.0031239571,GGA,P2_1/c,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn,112.0,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn +mp-1203686,NaZn2(BH4)5,-3.9737980254,-0.2204590159,0.0210645743,0.0095155631,GGA,P2_1/c,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn,112.0,A5B20CD2_mP112_14_5e_20e_e_2e:B-H-Na-Zn +mp-2713897,Na3La2Y2P3(SO8)3,-7.5860362006,-2.8794870518,0.0627298634,0.0627298634,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:La-Na-O-P-S-Y,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:La-Na-O-P-S-Y +mp-2713218,Na2LaYP2SO12,-7.5963881745,-2.9452908997,0.0767700531,0.0767700531,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-P-S-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:La-Na-O-P-S-Y +mp-2714582,NaLaYP(SO6)2,-7.5764885633,-2.8114068807,0.0465302169,0.0465302169,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:La-Na-O-P-S-Y,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:La-Na-O-P-S-Y +mp-2714977,Na5La2Y2P5SO24,-7.6050038385,-3.0065147519,0.0643762619,0.0643762619,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-S-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:La-Na-O-P-S-Y +mp-2714094,NaLa2Y2PS5O24,-7.5507455791,-2.7237866465,0.0376401879,0.0376401879,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:La-Na-O-P-S-Y,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:La-Na-O-P-S-Y +mp-767533,Na2LaPCO7,-7.4963551071,-2.7588678846,0.0362776735,0.0362776735,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-La-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-La-Na-O-P, expected Na2LaPCO13 to be Na2LaPCO7" +mp-1200522,Na2LaH2C5O11,-7.470536716,-1.9979932365,0.0344875134,0.0344875134,GGA,P2_1/c,A5B2CD2E11_mP84_14_5e_2e_e_2e_11e:C-H-La-Na-O,84.0,A5B2CD2E11_mP84_14_5e_2e_e_2e_11e:C-H-La-Na-O +mp-1195950,NaLaP2H4CO7,-6.7787214167,-2.1217509128,0.1019077731,0.1019077731,GGA,P2_1/c,AB4CDE7F2_mP64_14_e_4e_e_e_7e_2e:C-H-La-Na-O-P,64.0,AB4CDE7F2_mP64_14_e_4e_e_e_7e_2e:C-H-La-Na-O-P +mp-1191399,LaP2H2CO6,-7.2942893158,-2.1728841518,0.237208175,0.237208175,GGA,C2/m,AB2CD6E2_mC48_12_i_2i_g_3j_j:C-H-La-O-P,24.0,AB2CD6E2_mC48_12_i_2i_g_3j_j:C-H-La-O-P +mp-559868,NaLa(CO3)2,-8.0046047605,-2.5650051954,0.0,-0.099425873,GGA,Pmc2_1,A2BCD6_oP20_26_ab_a_b_ab2c:C-La-Na-O,20.0,"Invalid WP multiplicities - A2BCD6_oP20_26_2a2b_a_b_2ab6c:C-La-Na-O, expected NaLaC4O15 to be NaLa(CO3)2" +mp-505610,CeP3H8O7,-6.0452948082,-1.6273144916,0.0555532449,0.0555532449,GGA,P-1,AB8C7D3_aP38_2_i_8i_7i_3i:Ce-H-O-P,38.0,AB8C7D3_aP38_2_i_8i_7i_3i:Ce-H-O-P +mp-1196668,CeP4H50C12Cl3O11,-5.3230003475,-0.7807068518,0.0375167443,0.0375167443,GGA,P-1,A12BC3D50E11F4_aP162_2_12i_i_3i_50i_11i_4i:C-Ce-Cl-H-O-P,162.0,A12BC3D50E11F4_aP162_2_12i_i_3i_50i_11i_4i:C-Ce-Cl-H-O-P +mp-662607,CeP4(ClO)13,-5.0347517944,-1.295260536,0.3006083983,0.3006083983,GGA,P2_1/c,AB13C13D4_mP124_14_e_13e_13e_4e:Ce-Cl-O-P,124.0,"Invalid WP multiplicities - AB13C13D4_mP124_14_e_50e_52e_10e:Ce-Cl-O-P, expected CeP10(Cl25O26)2 to be CeP4(ClO)13" +mp-554484,CeH16C4Cl3O4,-5.2740425498,-0.9003378116,0.1266472368,0.1266472368,GGA,P2_1/c,A4BC3D16E4_mP112_14_4e_e_3e_16e_4e:C-Ce-Cl-H-O,112.0,"Invalid WP multiplicities - A4BC3D16E4_mP112_14_13e_e_9e_60e_14e:C-Ce-Cl-H-O, expected CeH60C13Cl9O14 to be CeH16C4Cl3O4" +mp-1190805,CeP2H2CO6,-7.4978167775,-2.2933214426,0.0698457939,0.0698457939,GGA,C2/m,ABC2D6E2_mC48_12_i_g_2i_3j_j:C-Ce-H-O-P,24.0,ABC2D6E2_mC48_12_i_g_2i_3j_j:C-Ce-H-O-P +mp-722790,CeP2(HO4)2,-6.6714376158,-1.816156389,0.8726628125,0.8726628125,GGA,P2_12_12_1,AB2C8D2_oP52_19_a_2a_8a_2a:Ce-H-O-P,52.0,AB2C8D2_oP52_19_a_2a_8a_2a:Ce-H-O-P +mp-1205066,K2Fe2H8C4Cl2O13,-6.3929114442,-1.5148037923,0.1074485784,0.1074485784,GGA+U,Fdd2,A4B2C2D8E2F13_oF248_43_2b_b_b_4b_b_a6b:C-Cl-Fe-H-K-O,62.0,A4B2C2D8E2F13_oF248_43_2b_b_b_4b_b_a6b:C-Cl-Fe-H-K-O +mp-24008,K2FeH2Cl5O,-4.5166596739,-1.6379648370000002,0.0147709611,0.0147709611,GGA+U,Pnma,A5BC2D2E_oP44_62_3cd_c_d_d_c:Cl-Fe-H-K-O,44.0,A5BC2D2E_oP44_62_3cd_c_d_d_c:Cl-Fe-H-K-O +mp-1212653,K3FeH3(CO2)6,-6.5899370434,-1.1214708964,0.5949225844,0.5949225844,GGA+U,P2_1/c,A6BC3D3E12_mP100_14_6e_e_3e_3e_12e:C-Fe-H-K-O,100.0,A6BC3D3E12_mP100_14_6e_e_3e_3e_12e:C-Fe-H-K-O +mp-1197490,KFe3H(CO)11,-7.4937301265,-0.6106899464000001,0.6927638077,0.6927638077,GGA+U,P2_1/c,A11B3CDE11_mP108_14_11e_3e_e_e_11e:C-Fe-H-K-O,108.0,A11B3CDE11_mP108_14_11e_3e_e_e_11e:C-Fe-H-K-O +mp-555975,NaH12C4S2BrO2,-4.9779832132,-0.4930193364,0.1833823407,0.1833823407,GGA,P2_1/c,AB4C12DE2F2_mP88_14_e_4e_12e_e_2e_2e:Br-C-H-Na-O-S,88.0,"Invalid WP multiplicities - AB4C12DE2F2_mP88_14_e_12e_43e_e_6e_5e:Br-C-H-Na-O-S, expected NaH43C12S5BrO6 to be NaH12C4S2BrO2" +mp-1199516,Na9H4S4BrO20,-5.6686274284,-1.9184633798,0.0361128539,0.0361128539,GGA,P4/n,AB4C9D20E4_tP152_85_ac_2g_bc4g_10g_2g:Br-H-Na-O-S,152.0,AB4C9D20E4_tP152_85_ac_2g_bc4g_10g_2g:Br-H-Na-O-S +mp-1211652,KRb(SO4)2,-6.0272425887,-1.8657973851,0.075929292,0.075929292,GGA,P2_1/c,AB8CD2_mP48_14_e_8e_e_2e:K-O-Rb-S,48.0,AB8CD2_mP48_14_e_8e_e_2e:K-O-Rb-S +mp-721552,Rb2TeH6SO10,-5.2887647094,-1.335561345,0.3220130415,0.3086520634,GGA,P2_1/c,A6B10C2DE_mP80_14_6e_10e_2e_e_ad:H-O-Rb-S-Te,80.0,A6B10C2DE_mP80_14_6e_10e_2e_e_ab:H-O-Rb-S-Te +mp-559096,Rb2TeH6SO10,-5.6107777509,-1.6575743865,0.0,-0.0133609781,GGA,P2_1/c,A6B10C2DE_mP80_14_6e_10e_2e_e_ad:H-O-Rb-S-Te,80.0,"Invalid WP multiplicities - A6B10C2DE_mP80_14_22e_38e_5e_e_2ad:H-O-Rb-S-Te, expected Rb10Te3H44(SO38)2 to be Rb2TeH6SO10" +mp-1211268,Rb4Te2H3(S2O3)4,-4.9590290662,-1.0680363186,0.4763372972,0.4763372972,GGA,Pbcn,A3B12C4D8E2_oP116_60_cd_6d_2d_4d_d:H-O-Rb-S-Te,116.0,A3B12C4D8E2_oP116_60_cd_6d_2d_4d_d:H-O-Rb-S-Te +mp-867999,Rb4Te2S8O15,-5.2272694376,-1.1755219314,0.5189824504,0.5189824504,GGA,Pbcn,A15B4C8D2_oP116_60_c7d_2d_4d_d:O-Rb-S-Te,116.0,A15B4C8D2_oP116_60_c7d_2d_4d_d:O-Rb-S-Te +mp-1211923,K2TeH6SO10,-5.6225501228,-1.6563602709,0.0,-0.0077053031,GGA,P-1,A6B2C10DE_aP40_2_6i_2i_10i_i_bd:H-K-O-S-Te,40.0,A6B2C10DE_aP40_2_6i_2i_10i_i_bd:H-K-O-S-Te +mp-1224636,K3Rb5Te4H24(SO10)4,-5.6147931402,-1.6567198431,0.0003992501,0.0003992501,GGA,P1,A24B3C40D5E4F4_aP80_1_24a_3a_40a_5a_4a_4a:H-K-O-Rb-S-Te,80.0,A24B3C40D5E4F4_aP80_1_24a_3a_40a_5a_4a_4a:H-K-O-Rb-S-Te +mp-1199634,Na2MgH32(SO12)2,-5.4188713777,-1.4876255928,0.0164180398,0.0164180398,GGA,P-1,A32BC2D24E2_aP61_2_16i_a_i_12i_i:H-Mg-Na-O-S,61.0,A32BC2D24E2_aP61_2_16i_a_i_12i_i:H-Mg-Na-O-S +mp-1204029,Na2MgH10S2O13,-5.712700776,-1.757256345,0.0084179018,0.0084179018,GGA,P2_1/c,A10BC2D13E2_mP112_14_10e_e_2e_13e_2e:H-Mg-Na-O-S,112.0,A10BC2D13E2_mP112_14_10e_e_2e_13e_2e:H-Mg-Na-O-S +mp-1210427,NaMgH2SO5,-5.5300451705,-1.6722300848,0.3979774992,0.3979774992,GGA,P2_1/m,A2BCD5E_mP20_11_f_a_e_3ef_e:H-Mg-Na-O-S,20.0,A2BCD5E_mP20_11_f_a_e_3ef_e:H-Mg-Na-O-S +mp-559135,Na2MgH8(SO6)2,-5.7799303796,-1.819118249,0.004590425,0.004590425,GGA,P2_1/c,A8BC2D12E2_mP50_14_4e_a_e_6e_e:H-Mg-Na-O-S,50.0,"Invalid WP multiplicities - A8BC2D12E2_mP50_14_12e_a_e_18e_e:H-Mg-Na-O-S, expected Na2MgH24(SO18)2 to be Na2MgH8(SO6)2" +mp-1201748,Na2MgH20(SO9)2,-5.5181305743,-1.5782899214,0.0186795952,0.0186795952,GGA,P2_1/c,A20BC2D18E2_mP86_14_10e_a_e_9e_e:H-Mg-Na-O-S,86.0,A20BC2D18E2_mP86_14_10e_a_e_9e_e:H-Mg-Na-O-S +mp-766031,NaMgH4SO6F,-5.7615456693,-2.031419196,0.0071864345,0.0071864345,GGA,P2_1/m,AB4CDE6F_mP28_11_e_2f_a_e_2e2f_e:F-H-Mg-Na-O-S,28.0,"Invalid WP multiplicities - AB4CDE6F_mP28_11_e_3f_a_e_3e4f_e:F-H-Mg-Na-O-S, expected NaMgH6SO11F to be NaMgH4SO6F" +mp-864766,NaMgSO4F,-6.1970518775,-2.6023657496,0.0,-0.0061678965,GGA,C2/c,ABCD4E_mC32_15_e_a_e_2f_e:F-Mg-Na-O-S,16.0,ABCD4E_mC32_15_e_c_e_2f_e:F-Mg-Na-O-S +mp-1394437,NaMg2H3(SO4)2,-5.94057214,-2.0313425805,0.0473964015,0.0473964015,GGA,P1,A3B2CD8E2_aP32_1_6a_4a_2a_16a_4a:H-Mg-Na-O-S,32.0,A3B2CD8E2_aP32_1_6a_4a_2a_16a_4a:H-Mg-Na-O-S +mp-1172939,NaMg2H3(SO4)2,-5.9428709547,-2.0336413952,0.0450975868,0.0450975868,GGA,P-1,A3B2CD8E2_aP32_2_3i_adi_i_8i_2i:H-Mg-Na-O-S,32.0,A3B2CD8E2_mC64_12_ij_ei_i_4i2j_2i:H-Mg-Na-O-S +mp-541081,NaMg2H3(SO4)2,-5.9464717241,-2.0372421646,0.0414968175,0.0414968175,GGA,C2/m,A3B2CD8E2_mC64_12_ij_ei_i_4i2j_2i:H-Mg-Na-O-S,32.0,A3B2CD8E2_mC64_12_ij_ei_i_4i2j_2i:H-Mg-Na-O-S +mp-722860,Na2MgH4(SO4)2,-5.7252726871,-1.8627642023,0.0474520581,0.0474520581,GGA,P-1,A4BC2D8E2_aP17_2_2i_a_i_4i_i:H-Mg-Na-O-S,17.0,A4BC2D8E2_aP17_2_2i_a_i_4i_i:H-Mg-Na-O-S +mp-731539,Na2MgH4(SO4)2,-3.6679606394,0.1945478453,2.1047641057,2.1047641057,GGA,P-1,A4BC2D8E2_aP17_2_2i_a_i_4i_i:H-Mg-Na-O-S,17.0,A4BC2D8E2_aP17_2_2i_a_i_4i_i:H-Mg-Na-O-S +mp-1202247,Na2Mg3H10(SO6)3,-5.8890711774,-1.9217684665,0.0336080342,0.0336080342,GGA,Cmc2_1,A10B3C2D18E3_oC144_36_2a4b_ab_b_4a7b_ab:H-Mg-Na-O-S,72.0,A10B3C2D18E3_oC144_36_2a4b_ab_b_4a7b_ab:H-Mg-Na-O-S +mp-1210388,NaH8CN5O3,-6.0314593853,-0.7972627239000001,0.0504513151,0.0504513151,GGA,P-1,AB8C5DE3_aP72_2_2i_16i_10i_2i_6i:C-H-N-Na-O,72.0,AB8C5DE3_aP72_2_2i_16i_10i_2i_6i:C-H-N-Na-O +mp-1210160,NaH4C3N3O4,-6.9355388057,-1.1104944343,0.0,-0.0101177495,GGA,P-1,A3B4C3DE4_aP30_2_3i_4i_3i_i_4i:C-H-N-Na-O,30.0,A3B4C3DE4_aP30_2_3i_4i_3i_i_4i:C-H-N-Na-O +mp-690653,NaH3CN4O,-6.4826450495,-0.5804413163000001,0.084499447,0.084499447,GGA,Pmma,AB3C4DE_oP20_51_e_ek_2k_b_f:C-H-N-Na-O,20.0,AB3C4DE_oP20_51_e_ek_2k_b_f:C-H-N-Na-O +mp-1202937,AlH8C2N,-4.9966087138,-0.1898412055,0.2862073783,0.2862073783,GGA,P2_1/c,AB2C8D_mP144_14_3e_6e_24e_3e:Al-C-H-N,144.0,AB2C8D_mP144_14_3e_6e_24e_3e:Al-C-H-N +mp-634434,NaHCN2,-6.5469624735,-0.4235811373,0.0354848695,0.0354848695,GGA,Pbcm,ABC2D_oP20_57_d_d_2d_c:C-H-N-Na,20.0,ABC2D_oP20_57_d_d_2d_c:C-H-N-Na +mp-758632,NaH2C2N3O,-6.9302319385,-0.650067288,0.0682717592,0.0682717592,GGA,P-62c,A2B2C3DE_hP54_190_2h_2h_3h_g_h:C-H-N-Na-O,54.0,"Invalid WP multiplicities - A2B2C3DE_hP54_190_9h_9h_17h_g_h:C-H-N-Na-O, expected NaH9C9N17O to be NaH2C2N3O" +mp-706281,NaH4CNO2,-5.6412819811,-0.9355078352,0.1592453362,0.1592453362,GGA,P2_1/c,AB4CDE2_mP36_14_e_4e_e_e_2e:C-H-N-Na-O,36.0,AB4CDE2_mP36_14_e_4e_e_e_2e:C-H-N-Na-O +mp-632685,NaH4CNO2,-5.5981228539,-0.8923487080000001,0.2024044634,0.2024044634,GGA,P2_1/c,AB4CDE2_mP36_14_e_4e_e_e_2e:C-H-N-Na-O,36.0,AB4CDE2_mP36_14_e_4e_e_e_2e:C-H-N-Na-O +mp-1199566,AlH10C3N,-5.0986311633,-0.1856093178,0.2376260324,0.2376260324,GGA,P2_1/c,AB3C10D_mP60_14_e_3e_10e_e:Al-C-H-N,60.0,AB3C10D_mP60_14_e_3e_10e_e:Al-C-H-N +mp-1200757,AlH10C3N,-5.1009110298,-0.1878891843,0.2353461659,0.2353461659,GGA,C2/c,AB3C10D_mC120_15_f_3f_10f_f:Al-C-H-N,60.0,AB3C10D_mC120_15_f_3f_10f_f:Al-C-H-N +mp-1202931,NaH3CN2O,-6.1019740903,-0.8083431550000001,0.0136922852,0.0136922852,GGA,P2_1/c,AB3C2DE_mP128_14_4e_12e_8e_4e_4e:C-H-N-Na-O,128.0,AB3C2DE_mP128_14_4e_12e_8e_4e_4e:C-H-N-Na-O +mp-1210486,NaH10C6(NO)7,-6.8171332481,-0.8944215012000001,0.0660039099,0.0660039099,GGA,P-1,A6B10C7DE7_aP62_2_6i_10i_7i_i_7i:C-H-N-Na-O,62.0,A6B10C7DE7_aP62_2_6i_10i_7i_i_7i:C-H-N-Na-O +mp-1204288,AlH12(CN)3,-5.3321505051,-0.2187942092,0.2263682816,0.2263682816,GGA,C2/c,AB3C12D3_mC304_15_2ef_6f_24f_6f:Al-C-H-N,152.0,AB3C12D3_mC304_15_2ef_6f_24f_6f:Al-C-H-N +mp-1245837,MnGe7N10,-7.0372950503,-0.0990639654,0.1708750848,0.1708750848,GGA,Pc,A7BC10_mP36_7_7a_a_10a:Ge-Mn-N,36.0,A7BC10_mP36_7_7a_a_10a:Ge-Mn-N +mp-1222504,Mn12Ge4N3,-8.3392098332,-0.2631161647,0.0,-0.0074678296,GGA,P4/m,A4B12C3_tP19_83_i_ghjk_abc:Ge-Mn-N,19.0,"Invalid WP multiplicities - A4B12C3_tP19_83_i_g2h4j4k_abc:Ge-Mn-N, expected Mn38Ge4N3 to be Mn12Ge4N3" +mp-20692,MnGeN2,-7.8382712769,-0.2237630276,0.1237289359,0.1237289359,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Ge-Mn-N,16.0,ABC2_oP16_33_a_a_2a:Ge-Mn-N +mp-1246919,Mn5(GeN3)2,-8.0905344765,-0.0078343442,0.3933480978,0.3933480978,GGA,C2/c,A2B5C6_mC52_15_f_e2f_3f:Ge-Mn-N,26.0,A2B5C6_mC52_15_f_e2f_3f:Ge-Mn-N +mp-654906,MnH21C7S3N,-3.3745004642,1.6484015118,1.9729217447,1.9729217447,GGA,P-1,A7B21CDE3_aP66_2_7i_21i_i_i_3i:C-H-Mn-N-S,66.0,"Invalid WP multiplicities - A7B21CDE3_aP66_2_13i_40i_i_i_6i:C-H-Mn-N-S, expected MnH40C13S6N to be MnH21C7S3N" +mp-557785,MnH21C7S3N,-5.2308318479,-0.2079298718,0.116590361,0.116590361,GGA,P-1,A7B21CDE3_aP66_2_7i_21i_i_i_3i:C-H-Mn-N-S,66.0,"Invalid WP multiplicities - A7B21CDE3_aP66_2_13i_40i_i_i_6i:C-H-Mn-N-S, expected MnH40C13S6N to be MnH21C7S3N" +mp-698410,MnGe4H24C8(S5N)2,-5.2622229873,-0.3449502475,0.0579369016,0.0579369016,GGA,I-4,A8B4C24DE2F10_tI98_82_2g_g_6g_a_bc_f2g:C-Ge-H-Mn-N-S,49.0,A8B4C24DE2F10_tI98_82_2g_g_6g_a_bc_f2g:C-Ge-H-Mn-N-S +mp-1245973,Mn4GeN4,-8.4195149806,-0.1287295669,0.29631531,0.29631531,GGA,Pnna,AB4C4_oP36_52_c_cde_2e:Ge-Mn-N,36.0,AB4C4_oP36_52_c_cde_2e:Ge-Mn-N +mp-22706,Mn3GeC,-8.351132623,-0.0835847783,0.0137329395,0.0137329395,GGA,I4/mcm,ABC3_tI20_140_c_b_ah:C-Ge-Mn,10.0,"Invalid WP multiplicities - ABC3_tI20_140_c_b_2a2h:C-Ge-Mn, expected Mn6GeC to be Mn3GeC" +mp-20180,Mn3GeC,-8.325291922,-0.0577440773,0.0395736405,0.0395736405,GGA,Pm-3m,ABC3_cP5_221_b_a_c:C-Ge-Mn,5.0,ABC3_cP5_221_b_a_c:C-Ge-Mn +mp-1205588,Mn3GeN,-8.373443921,-0.2843301898,0.0070517955,0.0070517955,GGA,I4/mcm,AB3C_tI20_140_b_ah_c:Ge-Mn-N,10.0,AB3C_tI20_140_b_ah_c:Ge-Mn-N +mp-1247750,Mn7GeN6,-8.6634422789,-0.1794348183,0.2486469109,0.2486469109,GGA,Pbcn,AB7C6_oP56_60_c_c3d_3d:Ge-Mn-N,56.0,AB7C6_oP56_60_c_c3d_3d:Ge-Mn-N +mp-736272,HgH16C6(N2Cl)2,-5.3650491666,-0.2960028541,0.15813774,0.15813774,GGA,C2/c,A6B2C16DE4_mC116_15_3f_f_8f_e_2f:C-Cl-H-Hg-N,58.0,A6B2C16DE4_mC116_15_3f_f_8f_e_2f:C-Cl-H-Hg-N +mp-736665,Hg2H2C2NCl5,-3.6189951167,0.0001150525,0.7324692067,0.7324692067,GGA,P2_1/c,A2B5C2D2E_mP48_14_2e_5e_2e_2e_e:C-Cl-H-Hg-N,48.0,A2B5C2D2E_mP48_14_2e_5e_2e_2e_e:C-Cl-H-Hg-N +mp-736545,HgH2C6(NCl2)2,-5.2452644542,0.5232863392,0.9659575147,0.9659575147,GGA,P2_1/c,A6B4C2DE2_mP60_14_6e_4e_2e_e_2e:C-Cl-H-Hg-N,60.0,A6B4C2DE2_mP60_14_6e_4e_2e_e_2e:C-Cl-H-Hg-N +mp-698360,HgH2C6(NCl2)2,-4.9841370888,0.7844137045,1.2270848801,1.2270848801,GGA,P2_1/c,A6B4C2DE2_mP60_14_6e_4e_2e_e_2e:C-Cl-H-Hg-N,60.0,A6B4C2DE2_mP60_14_6e_4e_2e_e_2e:C-Cl-H-Hg-N +mp-571435,Hg2H10C3NCl5,-4.3421034724,-0.5421131923,0.0551971904,0.0551971904,GGA,P-1,A3B5C10D2E_aP42_2_3i_5i_10i_2i_i:C-Cl-H-Hg-N,42.0,"Invalid WP multiplicities - A3B5C10D2E_aP42_2_3i_9i_19i_3i_i:C-Cl-H-Hg-N, expected Hg3H19C3NCl9 to be Hg2H10C3NCl5" +mp-1197209,HgH20C6(NCl2)2,-4.8749779126,-0.4023315274,0.0824572739,0.0824572739,GGA,P2_1/c,A6B4C20DE2_mP132_14_6e_4e_20e_e_2e:C-Cl-H-Hg-N,132.0,A6B4C20DE2_mP132_14_6e_4e_20e_e_2e:C-Cl-H-Hg-N +mp-1104235,HgH4C2(N2Cl)2,-5.7604092769,-0.4238732346,0.0888243903,0.0888243903,GGA,P1,A2B2C4DE4_aP13_1_2a_2a_4a_a_4a:C-Cl-H-Hg-N,13.0,A2B2C4DE4_aP13_1_2a_2a_4a_a_4a:C-Cl-H-Hg-N +mp-1201970,HgHC3NCl3,-4.7179068381,0.3114829167,0.8486904820000001,0.8486904820000001,GGA,C2/c,A3B3CDE_mC72_15_3f_3f_f_ce_f:C-Cl-H-Hg-N,36.0,A3B3CDE_mC72_15_3f_3f_f_ce_f:C-Cl-H-Hg-N +mp-1194654,Hg2H8C2NCl5,-4.167195074,-0.6235462796,0.0379854308,0.0379854308,GGA,P2_1/c,A2B5C8D2E_mP72_14_2e_5e_8e_2e_e:C-Cl-H-Hg-N,72.0,A2B5C8D2E_mP72_14_2e_5e_8e_2e_e:C-Cl-H-Hg-N +mp-973335,Hg2H6CN3Cl5,-4.5230143826,-0.7321584669,0.0006951659,0.0006951659,GGA,C222_1,AB5C6D2E3_oC68_20_a_b2c_3c_c_ac:C-Cl-H-Hg-N,34.0,AB5C6D2E3_oC68_20_a_b2c_3c_c_ac:C-Cl-H-Hg-N +mp-1202516,HgH4C2S2(N3Cl)2,-5.8240067172,-0.2757209446,0.1688933879,0.1688933879,GGA,Pbcn,A2B2C4DE6F2_oP68_60_d_d_2d_c_3d_d:C-Cl-H-Hg-N-S,68.0,A2B2C4DE6F2_oP68_60_d_d_2d_c_3d_d:C-Cl-H-Hg-N-S +mp-1196156,HgH8C2S2(NCl)4,-5.1147708604,-0.5949686802,0.0339435186,0.0339435186,GGA,P2_1/c,A2B4C8DE4F2_mP84_14_2e_4e_8e_e_4e_2e:C-Cl-H-Hg-N-S,84.0,A2B4C8DE4F2_mP84_14_2e_4e_8e_e_4e_2e:C-Cl-H-Hg-N-S +mp-41701,LiCo2P4H3O14,-7.1079700715,-2.2241955475,0.0024124583,0.0024124583,GGA+U,Cc,A2B3CD14E4_mC96_9_2a_3a_a_14a_4a:Co-H-Li-O-P,48.0,"Invalid WP multiplicities - A2B3CD14E4_mC96_9_3a_4a_a_26a_8a:Co-H-Li-O-P, expected LiCo3P8(H2O13)2 to be LiCo2P4H3O14" +mp-943466,Li2CoPHO5,-6.65050629,-2.2039427264,0.0615699727,0.0615699727,GGA+U,P-1,ABC2D5E_aP20_2_ab_i_2i_5i_i:Co-H-Li-O-P,40.0,"Invalid WP multiplicities - ABC2D5E_aP20_2_2a2b_i_2i_5i_i:Co-H-Li-O-P, expected Li2Co2PHO5 to be Li2CoPHO5" +mp-1565574,Li2CoPHO5,-6.6506488647,-2.2040853011,0.061427398,0.061427398,GGA+U,P-1,ABC2D5E_aP20_2_ab_i_2i_5i_i:Co-H-Li-O-P,40.0,"Invalid WP multiplicities - ABC2D5E_aP20_2_2a2b_i_2i_5i_i:Co-H-Li-O-P, expected Li2Co2PHO5 to be Li2CoPHO5" +mp-754793,LiCoPHO5,-6.7970995183,-2.0685758773,0.0251651056,0.0251651056,GGA+U,P-1,ABCD5E_aP18_2_ab_i_i_5i_i:Co-H-Li-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_ab_i_i_9i_i:Co-H-Li-O-P, expected LiCoPHO9 to be LiCoPHO5" +mp-752661,LiCo2P4H3O16,-6.8140255281,-1.9254114512,0.1407330549,0.1407330549,GGA+U,P1,A2B3CD16E4_aP26_1_2a_3a_a_16a_4a:Co-H-Li-O-P,26.0,A2B3CD16E4_aP26_1_2a_3a_a_16a_4a:Co-H-Li-O-P +mp-1214582,Co2BP3(H3O7)2,-6.9058646737,-2.0310210926,0.0223818803,0.0223818803,GGA+U,P2_12_12_1,AB2C6D14E3_oP104_19_a_2a_6a_14a_3a:B-Co-H-O-P,104.0,AB2C6D14E3_oP104_19_a_2a_6a_14a_3a:B-Co-H-O-P +mp-778187,Li4Co3P4(H3O4)6,-6.1631644941,-1.8159295364,0.0505331789,0.0505331789,GGA+U,P2_1/c,A3B18C4D24E4_mP106_14_ae_9e_2e_12e_2e:Co-H-Li-O-P,106.0,"Invalid WP multiplicities - A3B18C4D24E4_mP106_14_a2e_33e_3e_47e_3e:Co-H-Li-O-P, expected Li6Co5P6(H33O47)2 to be Li4Co3P4(H3O4)6" +mp-1204338,CoBP(HO3)2,-7.12709981,-2.0665001345,0.1101571521,0.1101571521,GGA+U,P3_1,ABC2D6E_hP66_144_2a_2a_4a_12a_2a:B-Co-H-O-P,66.0,ABC2D6E_hP66_144_2a_2a_4a_12a_2a:B-Co-H-O-P +mp-1238930,CoBP(HO3)2,-7.183707467,-2.1231077915,0.0535494952,0.0535494952,GGA+U,P3_121,ABC2D6E_hP66_152_c_ab_2c_6c_c:B-Co-H-O-P,66.0,ABC2D6E_hP66_152_c_ab_2c_6c_c:B-Co-H-O-P +mp-850414,LiB3P(HO3)3,-7.2307084773,-2.4037215819,0.0022070919,0.0022070919,GGA,Pbcn,A3B3CD9E_oP136_60_3d_3d_2c_9d_d:B-H-Li-O-P,136.0,"Invalid WP multiplicities - A3B3CD9E_oP136_60_9d_9d_6c_33d_d:B-H-Li-O-P, expected Li3B9P(H3O11)3 to be LiB3P(HO3)3" +mp-1238728,LiCoBP2H2O11,-6.5540455469,-1.6805863603,0.4074539118,0.4074539118,GGA+U,P6_122,ABC2DE11F2_hP108_178_b_b_c_b_b5c_c:B-Co-H-Li-O-P,108.0,ABC2DE11F2_hP108_178_b_b_c_b_b5c_c:B-Co-H-Li-O-P +mp-1190105,K3C6N9O,-7.7101072116,-0.4112475888,0.0968528212,0.0968528212,GGA,P1,A6B3C9D_aP19_1_6a_3a_9a_a:C-K-N-O,19.0,A6B3C9D_aP19_1_6a_3a_9a_a:C-K-N-O +mp-1223559,KCrCdC6N6O,-7.4140820675,0.2124171446,0.656259601,0.656259601,GGA+U,F-43m,A6BCDE6F_cF64_216_f_a_b_c_f_d:C-Cd-Cr-K-N-O,16.0,A6BCDE6F_cF64_216_f_a_b_c_f_d:C-Cd-Cr-K-N-O +mp-1223463,KCNO,-7.1471414725,-1.2415794536,0.0107948706,0.0107948706,GGA,Ima2,ABCD_oI16_46_b_a_b_b:C-K-N-O,8.0,ABCD_oI16_46_b_a_b_b:C-K-N-O +mp-1223461,KCNO,-6.9105296612,-1.0049676423,0.2474066818,0.2474066818,GGA,Fmmm,ABCD_oF32_69_ab_f_g_h:C-K-N-O,8.0,ABCD_oF32_69_ab_f_g_h:C-K-N-O +mp-557565,KC(NO2)3,-6.6891585123,-0.7774601957,0.4479023332,0.4479023332,GGA,P2_1/c,ABC3D6_mP44_14_e_e_3e_6e:C-K-N-O,44.0,"Invalid WP multiplicities - ABC3D6_mP44_14_e_e_10e_19e:C-K-N-O, expected KCN10O19 to be KC(NO2)3" +mp-669555,KC(NO2)3,-6.62363266,-0.7119343435000001,0.5134281855,0.5134281855,GGA,I4_1md,ABC3D6_tI88_109_b_b_bc_2b2c:C-K-N-O,44.0,"Invalid WP multiplicities - ABC3D6_tI88_109_b_b_3b4c_7b11c:C-K-N-O, expected KCN11O29 to be KC(NO2)3" +mp-555972,KC(NO2)3,-6.6948741009,-0.7831757844,0.4421867445,0.4421867445,GGA,I-42d,ABC3D6_tI88_122_d_d_de_3e:C-K-N-O,44.0,"Invalid WP multiplicities - ABC3D6_tI88_122_d_d_4d5e_16e:C-K-N-O, expected KC(N7O16)2 to be KC(NO2)3" +mp-554797,K3CrC3N3O4,-6.7316032405,-0.6268546399,0.7553625423,0.7553625423,GGA+U,P2/c,A3BC3D3E4_mP56_13_3g_g_ef2g_3g_4g:C-Cr-K-N-O,56.0,"Invalid WP multiplicities - A3BC3D3E4_mP56_13_9g_g_2e2f7g_10g_15g:C-Cr-K-N-O, expected K9CrC9(N2O3)5 to be K3CrC3N3O4" +mp-558995,KCN3O2,-7.1089039596,-0.6457715829,0.4515000271,0.4515000271,GGA,P2_1/c,ABC3D2_mP28_14_e_e_3e_2e:C-K-N-O,28.0,"Invalid WP multiplicities - ABC3D2_mP28_14_e_e_9e_4e:C-K-N-O, expected KCN9O4 to be KCN3O2" +mp-17799,KCdC3(NO)3,-7.3332490945,-1.0088094497,0.0039430363,0.0039430363,GGA,Pnma,A3BCD3E3_oP44_62_3c_c_c_3c_3c:C-Cd-K-N-O,44.0,"Invalid WP multiplicities - A3BCD3E3_oP44_62_3c_c_c_6c_9c:C-Cd-K-N-O, expected KCdC3(N2O3)3 to be KCdC3(NO)3" +mp-705039,K3CrC5N6O,-7.425341698,-0.2945148208,0.3465379355,0.3465379355,GGA+U,Pnc2,A5BC3D6E_oP64_30_5c_ab_ab2c_6c_c:C-Cr-K-N-O,64.0,"Invalid WP multiplicities - A5BC3D6E_oP64_30_18c_2a2b_2a2b5c_23c_c:C-Cr-K-N-O, expected K7Cr2C18N23O to be K3CrC5N6O" +mp-555541,KC(NO2)2,-6.7097921909,-0.8599410491,0.5241140561000001,0.5241140561000001,GGA,C2/c,ABC2D4_mC64_15_f_f_2f_4f:C-K-N-O,32.0,"Invalid WP multiplicities - ABC2D4_mC64_15_f_f_4f_12f:C-K-N-O, expected KC(NO3)4 to be KC(NO2)2" +mp-560982,K2Cd(NO2)4,-6.1747714737,-1.1038930041,0.1131341015,0.1131341015,GGA,Pnma,AB2C4D8_oP60_62_c_d_2cd_4d:Cd-K-N-O,60.0,"Invalid WP multiplicities - AB2C4D8_oP60_62_c_d_6c5d_21d:Cd-K-N-O, expected K2Cd(N8O21)2 to be K2Cd(NO2)4" +mp-1212134,K2C7N4O,-7.8116239957,-0.3034722277,0.2202208112,0.2202208112,GGA,P-1,A7B2C4D_aP28_2_7i_2i_4i_i:C-K-N-O,28.0,A7B2C4D_aP28_2_7i_2i_4i_i:C-K-N-O +mp-1212319,K2C7N4O,-7.8107133127,-0.3025615446,0.2211314942,0.2211314942,GGA,P2_1/c,A7B2C4D_mP56_14_7e_2e_4e_e:C-K-N-O,56.0,A7B2C4D_mP56_14_7e_2e_4e_e:C-K-N-O +mp-557553,K4Cr(NO5)2,-6.4061303568,-1.6864526967,0.0036920565,0.0036920565,GGA+U,P2_1/c,AB4C2D10_mP68_14_e_4e_2e_10e:Cr-K-N-O,68.0,"Invalid WP multiplicities - AB4C2D10_mP68_14_e_12e_4e_37e:Cr-K-N-O, expected K12CrN4O37 to be K4Cr(NO5)2" +mp-1201088,KCdN9O,-6.7173371435,0.1166988351,0.4835368048,0.4835368048,GGA,Pnma,ABC9D_oP48_62_c_c_9c_c:Cd-K-N-O,48.0,ABC9D_oP48_62_c_c_9c_c:Cd-K-N-O +mp-11017,KCd(NO2)3,-6.18229542,-1.0256676246,0.0987257722,0.0987257722,GGA,R3,ABC3D6_hR33_146_a_a_b_2b:Cd-K-N-O,11.0,"Invalid WP multiplicities - ABC3D6_hR33_146_a_a_b_3b:Cd-K-N-O, expected KCd(NO3)3 to be KCd(NO2)3" +mp-22770,KCd(NO2)3,-5.1513339027,0.0052938927,1.1296872895,1.1296872895,GGA,Pm-3,ABC3D6_cP11_200_b_a_c_f:Cd-K-N-O,11.0,ABC3D6_cP11_200_b_a_c_f:Cd-K-N-O +mp-1193987,VH6C2ClO3,-5.8599705654,-0.8918016332,0.2576952333,0.2576952333,GGA+U,P-1,A2BC6D3E_aP26_2_2i_i_6i_3i_i:C-Cl-H-O-V,26.0,A2BC6D3E_aP26_2_2i_i_6i_3i_i:C-Cl-H-O-V +mp-1201422,V2H28C12Cl2O7,-5.7245109026000005,-0.5827065573,0.1662066756,0.1662066756,GGA+U,P2_1/c,A12B2C28D7E2_mP204_14_12e_2e_28e_7e_2e:C-Cl-H-O-V,204.0,A12B2C28D7E2_mP204_14_12e_2e_28e_7e_2e:C-Cl-H-O-V +mp-1204914,V6SbH35C12Cl8O19,-5.8245325803,-0.9245669761,0.2629008269,0.2629008269,GGA+U,P-1,A12B8C35D19EF6_aP162_2_12i_8i_35i_19i_i_6i:C-Cl-H-O-Sb-V,162.0,A12B8C35D19EF6_aP162_2_12i_8i_35i_19i_i_6i:C-Cl-H-O-Sb-V +mp-696088,Sb2H20(Cl4O3)3,-4.5490911223,-1.2278082921,0.0,-0.0026703472,GGA,C2/c,A12B20C9D2_mC172_15_6f_10f_e4f_f:Cl-H-O-Sb,86.0,A12B20C9D2_mC172_15_6f_10f_e4f_f:Cl-H-O-Sb +mp-708066,Sb6H3CCl13O10,-4.8906557302,-1.3246340708,0.1156589604,0.1156589604,GGA,P2_1/c,AB13C3D10E6_mP132_14_e_13e_3e_10e_6e:C-Cl-H-O-Sb,132.0,AB13C3D10E6_mP132_14_e_13e_3e_10e_6e:C-Cl-H-O-Sb +mp-850732,SbH5(Cl3O)2,-4.1914107321,-1.1858943859,0.0087528043,-0.000711931,GGA,P1,A6B5C2D_aP28_1_12a_10a_4a_2a:Cl-H-O-Sb,28.0,A6B5C2D_aP28_1_12a_10a_4a_2a:Cl-H-O-Sb +mp-757924,SbH5(Cl3O)2,-4.1993721664,-1.1938558202,0.00079137,-0.0086733653,GGA,C2,A6B5C2D_mC56_5_6c_ab4c_2c_c:Cl-H-O-Sb,28.0,"Invalid WP multiplicities - A6B5C2D_mC56_5_10c_ab8c_2c_c:Cl-H-O-Sb, expected SbH9(Cl5O)2 to be SbH5(Cl3O)2" +mp-1192718,SbH5(Cl3O)2,-4.2001635364,-1.1946471902,0.0,-0.0094647353,GGA,C2/c,A6B5C2D_mC56_15_3f_e2f_f_c:Cl-H-O-Sb,28.0,A6B5C2D_mC56_15_3f_e2f_f_c:Cl-H-O-Sb +mp-1203718,VH11C3(ClO2)2,-5.4606342382,-0.8142667521,0.2127278904,0.2127278904,GGA+U,P2_1/c,A3B2C11D4E_mP84_14_3e_2e_11e_4e_e:C-Cl-H-O-V,84.0,A3B2C11D4E_mP84_14_3e_2e_11e_4e_e:C-Cl-H-O-V +mp-767419,NaPH2OF6,-5.2705280659,-2.5489969381,0.0216750074,0.0216750074,GGA,Pnna,A6B2CDE_oP44_52_3e_e_d_c_a:F-H-Na-O-P,44.0,"Invalid WP multiplicities - A6B2CDE_oP44_52_9e_e_d_c_a:F-H-Na-O-P, expected NaPH2OF18 to be NaPH2OF6" +mp-762852,Na2P2H12O11F2,-5.7119874459,-1.8354046218,0.0231938427,0.0231938427,GGA,C2,A2B12C2D11E2_mC116_5_2c_12c_2c_ab10c_2c:F-H-Na-O-P,58.0,"Invalid WP multiplicities - A2B12C2D11E2_mC116_15_f_23f_f_2e19f_f:F-H-Na-O-P, expected NaPH23O20F to be Na2P2H12O11F2" +mp-851402,Na2P2H12O11F2,-5.71206901,-1.8354861859,0.0231122785,0.0231122785,GGA,C2/c,A2B12C2D11E2_mC116_15_f_6f_f_e5f_f:F-H-Na-O-P,58.0,A2B12C2D11E2_mC116_15_f_6f_f_e5f_f:F-H-Na-O-P +mp-1202411,Fe2PHO3F2,-7.0889859625,-2.1546420691,0.003742826,0.003742826,GGA+U,Pnma,A2B2CD3E_oP36_62_d_d_c_cd_c:F-Fe-H-O-P,36.0,A2B2CD3E_oP36_62_d_d_c_cd_c:F-Fe-H-O-P +mp-1245945,K2SnN2,-4.404288916,0.1763830038,0.5158243235000001,0.5158243235000001,GGA,P-3m1,A2B2C_hP5_164_d_d_a:K-N-Sn,5.0,A2B2C_hP5_164_d_d_a:K-N-Sn +mp-1079672,KSnN3,-4.331909158,1.6939819574,2.028254001,2.028254001,GGA,P-3,AB3C_hP10_147_d_g_d:K-N-Sn,10.0,AB3C_hP10_147_d_g_d:K-N-Sn +mp-708999,KSn2H36C12(Se2N)3,-5.0582478943,-0.2583042305,0.0849534687,0.0849534687,GGA,P-1,A12B36CD3E6F2_aP120_2_12i_36i_i_3i_6i_2i:C-H-K-N-Se-Sn,120.0,A12B36CD3E6F2_aP120_2_12i_36i_i_3i_6i_2i:C-H-K-N-Se-Sn +mp-643371,K2Sn(H2N)6,-5.0292111095,-0.4119705458,0.0,-0.0010172629,GGA,R-3,A12B2C6D_hR63_148_2f_c_f_a:H-K-N-Sn,21.0,A12B2C6D_hR63_148_2f_c_f_a:H-K-N-Sn +mp-1080457,K2SnN6,-4.32819004,1.9217365488,2.2931499306,2.2931499306,GGA,R-3m,A2B6C_hR27_166_c_h_a:K-N-Sn,9.0,A2B6C_hR27_166_c_h_a:K-N-Sn +mp-1180839,K2SnN6,-4.3280014111,1.9219251777,2.2933385594,2.2933385594,GGA,Fm-3m,A2B6C_cF36_225_c_e_a:K-N-Sn,9.0,A2B6C_cF36_225_c_e_a:K-N-Sn +mp-1245821,KSnN,-4.4448859767,0.040602599,0.3684179573,0.3684179573,GGA,Cm,ABC_mC6_8_a_a_a:K-N-Sn,3.0,ABC_mC6_8_a_a_a:K-N-Sn +mp-1245826,KSnN,-4.621269465,-0.1357808893,0.192034469,0.192034469,GGA,P6_3mc,ABC_hP6_186_b_b_a:K-N-Sn,6.0,ABC_hP6_186_b_b_a:K-N-Sn +mp-1181719,NaZn4H6SClO16,-5.2350432443,-1.3781514543,0.0,-0.0071701787,GGA,P-1,AB6CD16EF4_aP58_2_i_6i_i_16i_i_4i:Cl-H-Na-O-S-Zn,58.0,"Invalid WP multiplicities - AB6CD16EF4_aP58_2_i_12i_i_31i_i_7i:Cl-H-Na-O-S-Zn, expected NaZn7H12SClO31 to be NaZn4H6SClO16" +mp-1205165,NaZn4H6SClO16,-5.1577614572,-1.3008696672,0.0772817871,0.0701116084,GGA,P-1,AB6CD16EF4_aP58_2_i_6i_i_16i_i_4i:Cl-H-Na-O-S-Zn,58.0,"Invalid WP multiplicities - AB6CD16EF4_aP58_2_i_12i_i_31i_i_7i:Cl-H-Na-O-S-Zn, expected NaZn7H12SClO31 to be NaZn4H6SClO16" +mp-849796,NaZn4H18SClO16,-5.2003312996,-1.4792928984,0.013092106,0.013092106,GGA,P-3,AB18CD16EF4_hP82_147_c_6g_d_d5g_d_cg:Cl-H-Na-O-S-Zn,82.0,"Invalid WP multiplicities - AB18CD16EF4_hP82_147_c_35g_d_2d27g_d_c2g:Cl-H-Na-O-S-Zn, expected NaZn7H105SClO83 to be NaZn4H18SClO16" +mp-1173865,Na21ZnS10Cl3O40,-5.7546950131,-2.1038892548,0.0799386805,0.0799386805,GGA,P1,A3B21C40D10E_aP150_1_6a_42a_80a_20a_2a:Cl-Na-O-S-Zn,150.0,A3B21C40D10E_aP150_1_6a_42a_80a_20a_2a:Cl-Na-O-S-Zn +mp-1223192,Na21ZnS10Cl3O40,-5.8226069675000005,-2.1718012092,0.0120267261,0.0120267261,GGA,Cc,A3B21C40D10E_mC300_9_3a_21a_40a_10a_a:Cl-Na-O-S-Zn,150.0,"Invalid WP multiplicities - A3B21C40D10E_mC300_9_4a_42a_80a_20a_a:Cl-Na-O-S-Zn, expected Na42ZnS20(ClO20)4 to be Na21ZnS10Cl3O40" +mp-559790,K2Nb3Cl7O5,-6.5784402926,-2.4491512815,0.0,-0.0372686016,GGA,C2/c,A7B2C3D5_mC68_15_e3f_f_ef_a2f:Cl-K-Nb-O,34.0,"Invalid WP multiplicities - A7B2C3D5_mC68_15_2e9f_f_e2f_2c5f:Cl-K-Nb-O, expected K2Nb5(Cl5O3)4 to be K2Nb3Cl7O5" +mp-1194979,K2Nb3H11C5(Cl3O4)2,-6.0304637177,-1.2689563857,0.2462087912,0.2462087912,GGA,P-1,A5B6C11D2E3F8_aP70_2_5i_6i_11i_2i_3i_8i:C-Cl-H-K-Nb-O,70.0,A5B6C11D2E3F8_aP70_2_5i_6i_11i_2i_3i_8i:C-Cl-H-K-Nb-O +mp-1110829,K2NaSbF6,-4.78458945,-2.8704696268000003,0.0579633185,0.0579633185,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Sb,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-Sb +mp-698134,K2Na2Sb2H6O3F10,-4.9989157408,-2.3015132192,0.0183491165,0.0183491165,GGA,P2_1/m,A10B6C2D2E3F2_mP50_11_5f_2e2f_f_f_3e_f:F-H-K-Na-O-Sb,50.0,A10B6C2D2E3F2_mP50_11_5f_2e2f_f_f_3e_f:F-H-K-Na-O-Sb +mp-1523138,KNa(SbO3)4,-5.9792482156,-1.6287374525,0.2313193458,0.2313193458,GGA,P4/mmm,ABC12D4_tP18_123_a_d_efr_i:K-Na-O-Sb,18.0,"Invalid WP multiplicities - ABC12D4_tP18_123_a_d_2e2fr_i:K-Na-O-Sb, expected KNa(SbO4)4 to be KNa(SbO3)4" +mp-1223796,K2Na(SbO3)3,-6.0711817575,-2.0411467369,0.0153880665,0.0153880665,GGA,Pnn2,A2BC9D3_oP60_34_2c_c_2a8c_2b2c:K-Na-O-Sb,60.0,"Invalid WP multiplicities - A2BC9D3_oP60_34_3c_c_4a22c_4b4c:K-Na-O-Sb, expected K3Na(SbO4)6 to be K2Na(SbO3)3" +mp-1201921,NaSb2H2OF7,-5.0891529663,-2.4204590166,0.0128655326,0.0128655326,GGA,P2_1/c,A7B2CDE2_mP52_14_7e_2e_e_e_2e:F-H-Na-O-Sb,52.0,A7B2CDE2_mP52_14_7e_2e_e_e_2e:F-H-Na-O-Sb +mp-1111407,KNa2SbF6,-4.578455612,-2.6431231541,0.2674831672,0.2674831672,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Sb,10.0,A6BC2D_cF40_225_e_a_c_b:F-K-Na-Sb +mp-505574,Co2Mo4C,-9.6087223014,-0.0618792268,0.0064205933,0.0064205933,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:C-Co-Mo,28.0,AB2C4_cF112_227_c_e_df:C-Co-Mo +mp-1194380,Co3Mo3C,-9.0239159496,-0.0109774914,0.0673545968,0.0673545968,GGA,Fd-3m,AB3C3_cF112_227_c_de_f:C-Co-Mo,28.0,AB3C3_cF112_227_c_de_f:C-Co-Mo +mp-1193869,Co6Mo6C,-9.0476319073,-0.0512878363,0.0070969519,0.0070969519,GGA,Fd-3m,AB6C6_cF104_227_a_de_f:C-Co-Mo,26.0,AB6C6_cF104_227_a_de_f:C-Co-Mo +mp-720809,CoMo8H36C8(NO16)2,-6.4412930327,-1.0986722414,0.204727699,0.204727699,GGA+U,C2/c,A8BC36D8E2F32_mC348_15_4f_c_18f_4f_2e_16f:C-Co-H-Mo-N-O,174.0,A8BC36D8E2F32_mC348_15_4f_a_18f_4f_2e_16f:C-Co-H-Mo-N-O +mp-2712556,Na3YMgP2SO12,-7.0886927678,-2.7708104448,0.0553787757,0.0553787757,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Mg-Na-O-P-S-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Mg-Na-O-P-S-Y, expected Na8YMgP7SO60 to be Na3YMgP2SO12" +mp-2713360,Na2YMgP(SO6)2,-7.034664954,-2.6263350316,0.0559320653,0.0559320653,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Mg-Na-O-P-S-Y,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Mg-Na-O-P-S-Y, expected Na2YMgPS3O20 to be Na2YMgP(SO6)2" +mp-2714278,Na7Y3Mg(PO4)6,-7.4209939237,-2.9951960077,0.0170570064,0.0170570064,GGA,P1,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Mg-Na-O-P-Y,123.0,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Mg-Na-O-P-Y +mp-2714855,Na5Y2Mg2P3(SO8)3,-7.0587807725,-2.6968342344,0.0688764282,0.0688764282,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Mg-Na-O-P-S-Y,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Mg-Na-O-P-S-Y +mp-2715220,Na4YMg(PO4)3,-7.1386346084,-2.9025858278000003,0.0193493138,0.0193493138,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Mg-Na-O-P-Y,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Mg-Na-O-P-Y, expected Na4YMg(PO12)3 to be Na4YMg(PO4)3" +mp-2713708,Na3Y2Mg2PS5O24,-7.0210266848,-2.5638061681,0.0242903992,0.0242903992,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Mg-Na-O-P-S-Y,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Mg-Na-O-P-S-Y +mp-1233278,Y3Mg(PO4)3,-8.2365449063,-3.1523414618,0.2398350665,0.2398350665,GGA,C222,AB12C3D3_oC38_21_a_3l_bk_ck:Mg-O-P-Y,19.0,"Invalid WP multiplicities - AB12C3D3_oC38_21_a_11l_bk_ck:Mg-O-P-Y, expected Y3MgP3O44 to be Y3Mg(PO4)3" +mp-2715999,Na7Y2Mg2P5SO24,-7.1153802274,-2.8394126457,0.0358171686,0.0358171686,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-S-Y,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Mg-Na-O-P-S-Y +mp-1213675,FeBP(HO3)2,-7.3652156052,-2.1808247102,0.0141743805,0.0141743805,GGA+U,P3_121,ABC2D6E_hP66_152_c_ab_2c_6c_c:B-Fe-H-O-P,66.0,ABC2D6E_hP66_152_c_ab_2c_6c_c:B-Fe-H-O-P +mp-1200024,FeBP(HO3)2,-7.3569117774,-2.1725208824,0.0224782082,0.0224782082,GGA+U,P3_221,ABC2D6E_hP66_154_c_ab_2c_6c_c:B-Fe-H-O-P,66.0,ABC2D6E_hP66_154_c_ab_2c_6c_c:B-Fe-H-O-P +mp-1202257,FeB2P2(HO4)3,-7.2205417655,-2.1108491438,0.0689161503,0.0689161503,GGA+U,C2/c,A2BC3D12E2_mC80_15_f_c_af_6f_f:B-Fe-H-O-P,40.0,A2BC3D12E2_mC80_15_f_a_cf_6f_f:B-Fe-H-O-P +mp-1202358,SrFeBP2(HO5)2,-7.4567067418,-2.5203625859,0.0041437557,0.0041437557,GGA+U,P-1,ABC2D10E2F_aP34_2_i_bd_2i_10i_2i_i:B-Fe-H-O-P-Sr,34.0,ABC2D10E2F_aP34_2_i_bd_2i_10i_2i_i:B-Fe-H-O-P-Sr +mp-1408232,SrFeBP2(HO5)2,-3.8512403676,1.0851037882,3.6096101298,3.6096101298,GGA+U,P-1,ABC2D10E2F_aP34_2_i_bc_2i_10i_2i_i:B-Fe-H-O-P-Sr,34.0,ABC2D10E2F_aP34_2_i_bc_2i_10i_2i_i:B-Fe-H-O-P-Sr +mp-735029,NiH10C2(N2O3)2,-6.2056148011,-0.936447841,0.0740517562,0.0740517562,GGA+U,C2/c,A2B10C4DE6_mC92_15_f_5f_2f_a_3f:C-H-N-Ni-O,46.0,A2B10C4DE6_mC92_15_f_5f_2f_c_3f:C-H-N-Ni-O +mp-559247,Ni3H12C10NO6,-6.1954073384,-0.3092696916,0.4281179971,0.4281179971,GGA+U,P-3,A10B12CD3E6_hP64_147_d3g_4g_d_g_2g:C-H-N-Ni-O,64.0,"Invalid WP multiplicities - A10B12CD3E6_hP64_147_2d12g_22g_d_g_6g:C-H-N-Ni-O, expected Ni3H66C38NO18 to be Ni3H12C10NO6" +mp-572503,NiH12C4(N2O3)2,-5.8862974704,-0.462829946,0.4624930936,0.4624930936,GGA+U,P-3m1,A4B12C4DE6_hP54_164_di_2ij_di_ab_2i:C-H-N-Ni-O,54.0,"Invalid WP multiplicities - A4B12C4DE6_hP54_164_di_10i7j_2d2i_ab_9i:C-H-N-Ni-O, expected NiH72C4N8O27 to be NiH12C4(N2O3)2" +mp-1197556,NiH16C4(N5O)2,-6.223977961,-0.4592282021,0.0522378637,0.0522378637,GGA+U,Pbca,A4B16C10DE2_oP132_61_2c_8c_5c_a_c:C-H-N-Ni-O,132.0,A4B16C10DE2_oP132_61_2c_8c_5c_a_c:C-H-N-Ni-O +mp-1197007,NiH20PtC4(NO3)4,-6.0398893371,-1.0559203585,0.0515629417,0.0515629417,GGA+U,I222,A4B20C4DE12F_oI84_23_k_5k_k_a_fg2k_b:C-H-N-Ni-O-Pt,42.0,A4B20C4DE12F_oI84_23_k_5k_k_a_fg2k_b:C-H-N-Ni-O-Pt +mp-1210542,NiH20C4(N5O6)2,-6.2390323394,-0.8502124812,0.1370965425,0.1370965425,GGA+U,P2_1/c,A4B20C10DE12_mP94_14_2e_10e_5e_a_6e:C-H-N-Ni-O,94.0,A4B20C10DE12_mP94_14_2e_10e_5e_a_6e:C-H-N-Ni-O +mp-1204939,NiH14C2(NO)12,-6.2082163451,-0.5708057127,0.4172771357,0.4172771357,GGA+U,P-1,A2B14C12DE12_aP41_2_i_7i_6i_a_6i:C-H-N-Ni-O,41.0,A2B14C12DE12_aP41_2_i_7i_6i_a_6i:C-H-N-Ni-O +mp-1220880,NiH8C4(NO2)3,-6.4828975043,-0.8226145928,0.1938307507,0.1938307507,GGA+U,Pna2_1,A4B8C3DE6_oP88_33_4a_8a_3a_a_6a:C-H-N-Ni-O,88.0,"Invalid WP multiplicities - A4B8C3DE6_oP88_33_8a_20a_7a_a_18a:C-H-N-Ni-O, expected NiH20C8N7O18 to be NiH8C4(NO2)3" +mp-1198045,NiH9C4(NO2)3,-6.4773459363,-0.9156524538,0.0820904335,0.0820904335,GGA+U,Pnna,A4B9C3DE6_oP92_52_2ce_c4e_ce_d_3e:C-H-N-Ni-O,92.0,A4B9C3DE6_oP92_52_2ce_c4e_ce_d_3e:C-H-N-Ni-O +mp-1210015,NiPt(CN)6,-8.1365043443,0.2379408346,0.2515288239,0.2515288239,GGA,Fm-3m,A6B6CD_cF56_225_e_e_a_b:C-N-Ni-Pt,14.0,A6B6CD_cF56_225_e_e_a_b:C-N-Ni-Pt +mp-1220171,NiH7C3NO6,-6.3549558361,-1.0642979103,0.0993316706,0.0993316706,GGA+U,C2,A3B7CDE6_mC72_5_ab2c_ab6c_c_c_6c:C-H-N-Ni-O,36.0,"Invalid WP multiplicities - A3B7CDE6_mC72_5_ab4c_ab12c_c_c_12c:C-H-N-Ni-O, expected NiH13C5NO12 to be NiH7C3NO6" +mp-746662,NiH44C12(N5O8)2,-5.7379232241,-0.577489041,0.2925613158,0.2925613158,GGA+U,P-1,A12B44C10DE16_aP83_2_6i_22i_5i_a_8i:C-H-N-Ni-O,83.0,A12B44C10DE16_aP83_2_6i_22i_5i_a_8i:C-H-N-Ni-O +mp-1195088,NiH8C4(NO3)2,-6.2502609995,-0.7174167554,0.3297001817,0.3297001817,GGA+U,P2_1/c,A4B8C2DE6_mP42_14_2e_4e_e_a_3e:C-H-N-Ni-O,42.0,A4B8C2DE6_mP42_14_2e_4e_e_a_3e:C-H-N-Ni-O +mp-698298,NiH14C10(N4O)2,-6.5685602014,-0.2214089712,0.21971589,0.21971589,GGA+U,C2/m,A10B14C8DE2_mC70_12_3ij_3i2j_2ij_a_i:C-H-N-Ni-O,35.0,A10B14C8DE2_mC70_12_3ij_3i2j_2ij_a_i:C-H-N-Ni-O +mp-1194435,NiH6C2(NO2)2,-6.392542107,-0.988970865,0.0309440864,0.0309440864,GGA+U,C2/c,A2B6C2DE4_mC60_15_f_3f_f_e_2f:C-H-N-Ni-O,60.0,A2B6C2DE4_mC60_15_f_3f_f_e_2f:C-H-N-Ni-O +mp-1220790,NiH3C5NO6,-6.7816273413,-0.5242354994,0.6371462876,0.6371462876,GGA+U,Cc,A5B3CDE6_mC64_9_5a_3a_a_a_6a:C-H-N-Ni-O,32.0,"Invalid WP multiplicities - A5B3CDE6_mC64_9_8a_6a_a_a_12a:C-H-N-Ni-O, expected NiH6C8NO12 to be NiH3C5NO6" +mp-1201597,NiH7C3NO7,-6.3255978318,-1.0530435489,0.1945569411,0.1945569411,GGA+U,P2_12_12_1,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-N-Ni-O,76.0,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-N-Ni-O +mp-2715777,Na3Nb2Zn4P3(SO6)6,-6.8323545225,-2.2333071016,0.0256521564,0.0256521564,GGA,P3c1,A3B2C36D3E6F4_hP108_158_abc_ab_12d_d_2d_ab2c:Na-Nb-O-P-S-Zn,108.0,A3B2C36D3E6F4_hP108_158_abc_ab_12d_d_2d_ab2c:Na-Nb-O-P-S-Zn +mp-2716206,Na3Nb8Zn4P15(SO24)3,-7.7763763242,-2.6374480856,0.0205696319,0.0205696319,GGA,P1,A3B8C72D15E3F4_aP105_1_3a_8a_72a_15a_3a_4a:Na-Nb-O-P-S-Zn,105.0,A3B8C72D15E3F4_aP105_1_3a_8a_72a_15a_3a_4a:Na-Nb-O-P-S-Zn +mp-2713537,Na6Nb2Zn4P6(SO12)3,-6.9075543224,-2.413752664,0.0602978713,0.0602978713,GGA,Cc,A6B2C36D6E3F4_mC228_9_6a_2a_36a_6a_3a_4a:Na-Nb-O-P-S-Zn,114.0,"Invalid WP multiplicities - A6B2C36D6E3F4_mC228_9_7a_2a_60a_9a_4a_4a:Na-Nb-O-P-S-Zn, expected Na7Nb2Zn4P9(SO15)4 to be Na6Nb2Zn4P6(SO12)3" +mp-2714276,Na3Nb4Zn8P3(S5O24)3,-6.7706154462,-2.1144346114,0.0113779381,0.0113779381,GGA,P1,A3B4C72D3E15F8_aP105_1_3a_4a_72a_3a_15a_8a:Na-Nb-O-P-S-Zn,105.0,A3B4C72D3E15F8_aP105_1_3a_4a_72a_3a_15a_8a:Na-Nb-O-P-S-Zn +mp-2713977,Na9Nb4Zn8P9(SO8)9,-6.874693967,-2.3296916675,0.0464631821,0.0464631821,GGA,P1,A9B4C72D9E9F8_aP111_1_9a_4a_72a_9a_9a_8a:Na-Nb-O-P-S-Zn,111.0,A9B4C72D9E9F8_aP111_1_9a_4a_72a_9a_9a_8a:Na-Nb-O-P-S-Zn +mp-2716106,Na3Nb2Zn2P5SO24,-7.3262167873,-2.552888013,0.0567644116,0.0567644116,GGA,P1,A3B2C24D5EF2_aP111_1_9a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Zn,111.0,A3B2C24D5EF2_aP111_1_9a_6a_72a_15a_3a_6a:Na-Nb-O-P-S-Zn +mp-2714813,Na15Nb2Zn10P9(SO8)9,-6.5168799468,-2.2882706805,0.0547423575,0.0547423575,GGA,P1,A15B2C72D9E9F10_aP117_1_15a_2a_72a_9a_9a_10a:Na-Nb-O-P-S-Zn,117.0,A15B2C72D9E9F10_aP117_1_15a_2a_72a_9a_9a_10a:Na-Nb-O-P-S-Zn +mp-2716428,NaNb2Zn2P3(SO8)3,-7.2546571287,-2.357102592,0.0374937182,0.0374937182,GGA,P1,AB2C24D3E3F2_aP105_1_3a_6a_72a_9a_9a_6a:Na-Nb-O-P-S-Zn,105.0,AB2C24D3E3F2_aP105_1_3a_6a_72a_9a_9a_6a:Na-Nb-O-P-S-Zn +mp-2712771,Na9Nb2Zn10P3(S5O24)3,-6.4117199586,-2.0950441338,0.0336191355,0.0336191355,GGA,P1,A9B2C72D3E15F10_aP111_1_9a_2a_72a_3a_15a_10a:Na-Nb-O-P-S-Zn,111.0,A9B2C72D3E15F10_aP111_1_9a_2a_72a_3a_15a_10a:Na-Nb-O-P-S-Zn +mp-2712679,Na9NbZn5P6(SO12)3,-6.5612165068,-2.3733380238,0.0609002391,0.0609002391,GGA,Cc,A9BC36D6E3F5_mC240_9_9a_a_36a_6a_3a_5a:Na-Nb-O-P-S-Zn,120.0,"Invalid WP multiplicities - A9BC36D6E3F5_mC240_9_14a_a_72a_12a_6a_5a:Na-Nb-O-P-S-Zn, expected Na14NbZn5P12(SO12)6 to be Na9NbZn5P6(SO12)3" +mp-2715951,Na21Nb2Zn10P15(SO24)3,-6.6004292616,-2.4512946945,0.0614707116,0.0614707116,GGA,P1,A21B2C72D15E3F10_aP123_1_21a_2a_72a_15a_3a_10a:Na-Nb-O-P-S-Zn,123.0,A21B2C72D15E3F10_aP123_1_21a_2a_72a_15a_3a_10a:Na-Nb-O-P-S-Zn +mp-2713073,NbZnP(SO6)2,-7.1952584495,-2.2301104833,0.0277323172,0.0277323172,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Nb-O-P-S-Zn,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Nb-O-P-S-Zn, expected NbZnPS3O20 to be NbZnP(SO6)2" +mp-2712539,NaNbZnP2SO12,-7.2925637758,-2.4588474781,0.0544781263,0.0544781263,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Na-Nb-O-P-S-Zn,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_72a_12a_a_a:Na-Nb-O-P-S-Zn, expected NaNbZnP12SO72 to be NaNbZnP2SO12" +mp-2713213,Nb4Zn2P6(SO12)3,-7.7416076749,-2.5279867803,0.0065451856,0.0065451856,GGA,P3c1,A4B36C6D3E2_hP102_158_ab2c_12d_2d_d_ab:Nb-O-P-S-Zn,102.0,A4B36C6D3E2_hP102_158_ab2c_12d_2d_d_ab:Nb-O-P-S-Zn +mp-2713159,Na6NbZn5P3(SO6)6,-6.4644259747,-2.1929421997,0.0532614083,0.0532614083,GGA,Cc,A6BC36D3E6F5_mC228_9_6a_a_36a_3a_6a_5a:Na-Nb-O-P-S-Zn,114.0,"Invalid WP multiplicities - A6BC36D3E6F5_mC228_9_7a_a_60a_4a_9a_5a:Na-Nb-O-P-S-Zn, expected Na7NbZn5P4(S3O20)3 to be Na6NbZn5P3(SO6)6" +mp-2715155,Na15Nb4Zn8P15(SO24)3,-6.9444729677,-2.4992462766,0.0623037875,0.0623037875,GGA,P1,A15B4C72D15E3F8_aP117_1_15a_4a_72a_15a_3a_8a:Na-Nb-O-P-S-Zn,117.0,A15B4C72D15E3F8_aP117_1_15a_4a_72a_15a_3a_8a:Na-Nb-O-P-S-Zn +mp-695398,Na3PH24SO15,-5.1128253974,-1.2686643973,0.1810154301,0.1810154301,GGA,R32,A24B3C15DE_hR264_155_8f_3c_5f_c_c:H-Na-O-P-S,88.0,"Invalid WP multiplicities - A24B3C15DE_hR264_155_40f_4c_19f_c_c:H-Na-O-P-S, expected Na4PH120SO57 to be Na3PH24SO15" +mp-540885,Na3PH16(SO2)4,-4.9734915556,-1.2302476724,0.0160360657,0.0160360657,GGA,P2_1/c,A16B3C8DE4_mP128_14_16e_ad2e_8e_e_4e:H-Na-O-P-S,128.0,A16B3C8DE4_mP128_14_16e_ad2e_8e_e_4e:H-Na-O-P-S +mp-1210903,Na2P2H3(SO2)2,-4.9729611031,-0.9953081558,0.6166682078,0.6166682078,GGA,P-1,A3B2C4D2E2_aP52_2_6i_4i_8i_4i_4i:H-Na-O-P-S,52.0,A3B2C4D2E2_aP52_2_6i_4i_8i_4i_4i:H-Na-O-P-S +mp-1201258,Na2CaP2H16(S3O4)2,-5.0934682807,-1.2605231067,0.0090871791,0.0090871791,GGA,C2/c,AB16C2D8E2F6_mC140_15_e_8f_ce_4f_f_3f:Ca-H-Na-O-P-S,70.0,AB16C2D8E2F6_mC140_15_e_8f_ae_4f_f_3f:Ca-H-Na-O-P-S +mp-757203,NaPH4SO8,-6.1594457863,-1.8916663505,0.0005257022,0.0005257022,GGA,P2_1,A4BC8DE_mP30_4_4a_a_8a_a_a:H-Na-O-P-S,30.0,"Invalid WP multiplicities - A4BC8DE_mP30_4_7a_a_15a_a_a:H-Na-O-P-S, expected NaPH7SO15 to be NaPH4SO8" +mp-761853,Na3PH22(SO4)3,-5.0816029731,-1.2818355216,0.0429548074,0.0429548074,GGA,Pna2_1,A22B3C12DE3_oP164_33_22a_3a_12a_a_3a:H-Na-O-P-S,164.0,"Invalid WP multiplicities - A22B3C12DE3_oP164_33_85a_9a_45a_a_9a:H-Na-O-P-S, expected Na9PH85(SO5)9 to be Na3PH22(SO4)3" +mp-1202262,NaCaPH18SO12,-5.4568176854,-1.5360173650000002,0.0247444579,0.0247444579,GGA,P2_13,AB18CD12EF_cP136_198_a_6b_a_4b_a_a:Ca-H-Na-O-P-S,136.0,AB18CD12EF_cP136_198_a_6b_a_4b_a_a:Ca-H-Na-O-P-S +mp-23660,KNa22C2S9ClO42,-6.0327614014,-2.1950887037,0.0,-0.0033752591,GGA,P6_3/m,A2BCD22E42F9_hP154_176_f_c_b_efgh2i_2h6i_hi:C-Cl-K-Na-O-S,154.0,A2BCD22E42F9_hP154_176_f_c_b_efgh2i_2h6i_hi:C-Cl-K-Na-O-S +mp-557645,K5NaS4(ClO6)2,-5.697673254,-2.094437531,0.0151425603,0.0151425603,GGA,P4/mnc,A2B5CD12E4_tP48_128_e_ag_b_hi_h:Cl-K-Na-O-S,48.0,A2B5CD12E4_tP48_128_e_ag_b_hi_h:Cl-K-Na-O-S +mp-1210318,NaCSCl3O4,-5.0019951833,-0.9999946355,0.5838639742,0.5838639742,GGA,P2_1/c,AB3CD4E_mP40_14_e_3e_e_4e_e:C-Cl-Na-O-S,40.0,AB3CD4E_mP40_14_e_3e_e_4e_e:C-Cl-Na-O-S +mp-560773,K2NaS2ClO6,-5.6989030892,-2.0868287684,0.0116589995,0.0116589995,GGA,P4/n,AB2CD6E2_tP48_85_ac_g_bc_3g_g:Cl-K-Na-O-S,48.0,"Invalid WP multiplicities - AB2CD6E2_tP48_85_2a2c_g_2b2c_15g_g:Cl-K-Na-O-S, expected KNaSClO15 to be K2NaS2ClO6" +mp-1182270,Cs2HgC2SI4O,-3.8277058241,-0.5978494539,0.5069071529,0.5069071529,GGA,P-1,A2B2CD4EF_aP22_2_2i_2i_i_4i_i_i:C-Cs-Hg-I-O-S,22.0,A2B2CD4EF_aP22_2_2i_2i_i_4i_i_i:C-Cs-Hg-I-O-S +mp-730258,Cs2HgC2SI4O,-3.7412141814,-0.5113578112,0.5933987956,0.5933987956,GGA,P-1,A2B2CD4EF_aP22_2_2i_2i_i_4i_i_i:C-Cs-Hg-I-O-S,22.0,A2B2CD4EF_aP22_2_2i_2i_i_4i_i_i:C-Cs-Hg-I-O-S +mp-24438,K2MgH12(SO7)2,-5.6707662881,-1.7333362179,0.0005236502,0.0005236502,GGA,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-K-Mg-O-S,62.0,"Invalid WP multiplicities - A12B2CD14E2_mP62_14_7e_e_a_12e_e:H-K-Mg-O-S, expected K2MgH14(SO12)2 to be K2MgH12(SO7)2" +mp-15600,K2Ca2(SO4)3,-6.6376090116,-2.5322610227,0.0,-0.0064932509,GGA,P2_12_12_1,A2B2C12D3_oP76_19_2a_2a_12a_3a:Ca-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_oP76_19_2a_5a_15a_3a:Ca-K-O-S, expected K5Ca2(SO5)3 to be K2Ca2(SO4)3" +mp-15599,K2Ca2(SO4)3,-6.6351025213,-2.5297545324,0.0025064903,-0.0039867607,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Ca-K-O-S,76.0,"Invalid WP multiplicities - A2B2C12D3_cP76_198_2a_5a_8b_b:Ca-K-O-S, expected K5Ca2(SO8)3 to be K2Ca2(SO4)3" +mp-1224238,K2MgH8(SO6)2,-5.7821392156,-1.8382971927,0.0039960788,0.0034407904,GGA,C2,A8B2CD12E2_mC100_5_8c_2c_ab_2a11c_2c:H-K-Mg-O-S,50.0,"Invalid WP multiplicities - A8B2CD12E2_mC100_5_11c_3c_ab_2a14c_2c:H-K-Mg-O-S, expected K3MgH11S2O15 to be K2MgH8(SO6)2" +mp-1224676,K2MgH8(SO6)2,-5.701292523,-1.7574505001,0.0848427714,0.084287483,GGA,C2,A8B2CD12E2_mC100_5_8c_2c_2a_2a11c_2c:H-K-Mg-O-S,50.0,"Invalid WP multiplicities - A8B2CD12E2_mC100_5_11c_3c_2a_2a14c_2c:H-K-Mg-O-S, expected K3MgH11S2O15 to be K2MgH8(SO6)2" +mp-24742,K2MgH8(SO6)2,-5.7861352944,-1.8422932715,0.0,-0.0005552884,GGA,P2_1/c,A8B2CD12E2_mP100_14_8e_2e_ad_12e_2e:H-K-Mg-O-S,100.0,"Invalid WP multiplicities - A8B2CD12E2_mP100_14_9e_2e_ab_18e_5e:H-K-Mg-O-S, expected K2MgH9S5O18 to be K2MgH8(SO6)2" +mp-699266,K2MgH8(SO6)2,-5.7829620792,-1.8391200563,0.0031732152,0.0026179268,GGA,C2/c,A8B2CD12E2_mC200_15_8f_2f_ce_2e11f_2f:H-K-Mg-O-S,100.0,A8B2CD12E2_mC200_15_8f_2f_ae_2e11f_2f:H-K-Mg-O-S +mp-734386,K2CaS2O9,-6.2039684314,-2.1311472951,0.1568257137,0.1568257137,GGA,P2_1,AB2C9D2_mP28_4_a_2a_9a_2a:Ca-K-O-S,28.0,AB2C9D2_mP28_4_a_2a_9a_2a:Ca-K-O-S +mp-1212016,K2CaS2O9,-6.2058400261,-2.1330188897,0.1549541191,0.1549541191,GGA,P2_1/m,AB2C9D2_mP28_11_e_f_5e2f_2e:Ca-K-O-S,28.0,AB2C9D2_mP28_11_e_f_5e2f_2e:Ca-K-O-S +mp-1193556,K2Ca2Mg(S2O9)2,-6.3589163152,-2.1582320939,0.1662294065,0.1662294065,GGA,P-1,A2B2CD18E4_aP27_2_i_i_a_9i_2i:Ca-K-Mg-O-S,27.0,A2B2CD18E4_aP27_2_i_i_a_9i_2i:Ca-K-Mg-O-S +mp-1212031,K2Ca2MgH2(SO4)4,-6.1924981837,-2.1069223081,0.262129633,0.262129633,GGA,P-1,A2B2C2DE16F4_aP27_2_i_i_i_a_8i_2i:Ca-H-K-Mg-O-S,27.0,A2B2C2DE16F4_aP27_2_i_i_i_a_8i_2i:Ca-H-K-Mg-O-S +mp-1199173,K2Ca5S6O25,-6.6968840942,-2.4670231922,0.063816642,0.063816642,GGA,C2/c,A5B2C25D6_mC152_15_e2f_f_e12f_3f:Ca-K-O-S,76.0,A5B2C25D6_mC152_15_e2f_f_e12f_3f:Ca-K-O-S +mp-684725,KMgH5(SO5)2,-5.2101518484,-1.1357257396,0.7587061682,0.7587061682,GGA,P1,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mg-O-S,19.0,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mg-O-S +mp-686527,K4Mg2H16S4O23,-5.6574746994,-1.7340989354,0.090634007,0.090634007,GGA,P1,A16B4C2D23E4_aP49_1_16a_4a_2a_23a_4a:H-K-Mg-O-S,49.0,A16B4C2D23E4_aP49_1_16a_4a_2a_23a_4a:H-K-Mg-O-S +mp-23723,K2CaH2S2O9,-6.2275455722,-2.2397363223,0.0026251893,0.0026251893,GGA,P2_1/m,AB2C2D9E2_mP32_11_e_f_f_5e2f_2e:Ca-H-K-O-S,32.0,AB2C2D9E2_mP32_11_e_f_f_5e2f_2e:Ca-H-K-O-S +mp-1196721,CoH20IN6(ClO2)2,-5.1184686763,-0.7084980068000001,0.1244478136,0.1244478136,GGA+U,P2_1/c,A2BC20DE6F4_mP136_14_2e_ac_20e_e_6e_4e:Cl-Co-H-I-N-O,136.0,A2BC20DE6F4_mP136_14_2e_ac_20e_e_6e_4e:Cl-Co-H-I-N-O +mp-759391,Co2H21I7(N2O)3,-4.7587944933,-0.6399103223,0.0514566514,0.0514566514,GGA+U,Pnma,A2B21C7D6E3_oP156_62_2c_3c9d_7c_2c2d_cd:Co-H-I-N-O,156.0,"Invalid WP multiplicities - A2B21C7D6E3_oP156_62_5c_11c34d_22c_7c6d_2c3d:Co-H-I-N-O, expected Co5H79I22N19O8 to be Co2H21I7(N2O)3" +mp-22934,K2PtCl4,-3.9278031214,-1.6869348566,0.0,-0.0057032643,GGA,P4/mmm,A4B2C_tP7_123_j_e_a:Cl-K-Pt,7.0,A4B2C_tP7_123_j_e_a:Cl-K-Pt +mp-1212425,K2P4PtWClO10,-7.0312910845,-2.0724123875,0.2605574582,0.2605574582,GGA+U,P-1,AB2C10D4EF_aP38_2_i_2i_10i_4i_i_i:Cl-K-O-P-Pt-W,38.0,AB2C10D4EF_aP38_2_i_2i_10i_4i_i_i:Cl-K-O-P-Pt-W +mp-23513,K2PtCl6,-3.7652729444,-1.6115894807000002,0.0,-0.2276122923,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Pt,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Pt +mp-734711,K2P4PtClO11,-6.5709566918,-2.0337328116,0.343164336,0.343164336,GGA,P-1,AB2C11D4E_aP38_2_i_2i_11i_4i_i:Cl-K-O-P-Pt,38.0,AB2C11D4E_aP38_2_i_2i_11i_4i_i:Cl-K-O-P-Pt +mp-728713,Na2NiH6C4N4O3,-6.2889204682,-0.5948079012,0.2321307066,0.2321307066,GGA+U,P-1,A4B6C4D2EF3_aP80_2_8i_12i_8i_bc3i_2i_6i:C-H-N-Na-Ni-O,80.0,A4B6C4D2EF3_aP80_2_8i_12i_8i_bc3i_2i_6i:C-H-N-Na-Ni-O +mp-761175,NaNi4H9(CO5)3,-6.3891210872,-1.4871231633,0.0109919638,0.0109919638,GGA+U,P6_3,A3B9CD4E15_hP64_173_c_3c_a_bc_5c:C-H-Na-Ni-O,64.0,"Invalid WP multiplicities - A3B9CD4E15_hP64_173_c_15c_a_2b3c_25c:C-H-Na-Ni-O, expected NaNi11H45(CO25)3 to be NaNi4H9(CO5)3" +mp-1210852,Na2NiH20C12(N2O3)6,-6.8348126292,-1.0486275526,0.0296359108,0.0296359108,GGA+U,P-1,A12B20C12D2EF18_aP65_2_6i_10i_6i_i_a_9i:C-H-N-Na-Ni-O,65.0,A12B20C12D2EF18_aP65_2_6i_10i_6i_i_a_9i:C-H-N-Na-Ni-O +mp-1197564,NpH28C12(N2O3)6,-6.6863281518,-0.9431389862,0.1222755433,0.1222755433,GGA,C2/c,A12B28C12DE18_mC284_15_6f_14f_6f_e_9f:C-H-N-Np-O,142.0,A12B28C12DE18_mC284_15_6f_14f_6f_e_9f:C-H-N-Np-O +mp-698125,NpH16C4N8ClO6,-6.5975506765,-0.9762538238,0.0094977304,0.0094977304,GGA,C2/c,A4BC16D8EF6_mC144_15_2f_e_8f_4f_e_3f:C-Cl-H-N-Np-O,72.0,A4BC16D8EF6_mC144_15_2f_e_8f_4f_e_3f:C-Cl-H-N-Np-O +mp-1210476,NpH16C3N4O11,-6.5375392999,-1.3181979169,0.001780795,0.001780795,GGA,C2/c,A3B16C4DE11_mC140_15_ef_8f_2f_e_e5f:C-H-N-Np-O,70.0,A3B16C4DE11_mC140_15_ef_8f_2f_e_e5f:C-H-N-Np-O +mp-1210566,Na2SnH14S3O7,-4.9690405267,-1.2213013544,0.0139898901,0.0139898901,GGA,P-1,A14B2C7D3E_aP54_2_14i_2i_7i_3i_i:H-Na-O-S-Sn,54.0,A14B2C7D3E_aP54_2_14i_2i_7i_3i_i:H-Na-O-S-Sn +mp-720670,Na10Zn7Sn7H24(S13O6)2,-4.6048238113,-1.1345465166,0.0011346878,0.0011346878,GGA,R3,A24B10C12D26E7F7_hR258_146_8b_4a2b_4b_2a8b_a2b_a2b:H-Na-O-S-Sn-Zn,86.0,"Invalid WP multiplicities - A24B10C12D26E7F7_hR258_146_20b_4a3b_6b_2a23b_a3b_a2b:H-Na-O-S-Sn-Zn, expected Na13Zn7Sn10H60S71O18 to be Na10Zn7Sn7H24(S13O6)2" +mp-1198262,BiH16C4N2Cl5,-4.8964986363000005,-0.576697173,0.0416477484,0.0416477484,GGA,P2_1/c,AB4C5D16E2_mP112_14_e_4e_5e_16e_2e:Bi-C-Cl-H-N,112.0,AB4C5D16E2_mP112_14_e_4e_5e_16e_2e:Bi-C-Cl-H-N +mp-1214376,BiH5(NO3)3,-5.0649932628,-0.0464486777,1.0240967343,1.0240967343,GGA,P-1,AB5C3D9_aP36_2_i_5i_3i_9i:Bi-H-N-O,36.0,AB5C3D9_aP36_2_i_5i_3i_9i:Bi-H-N-O +mp-1204099,BiH14C4N8Cl5O2,-5.8753160291,-0.7552767393,0.0011653666,0.0011653666,GGA,Pnma,AB4C5D14E8F2_oP136_62_c_2d_3cd_7d_4d_d:Bi-C-Cl-H-N-O,136.0,AB4C5D14E8F2_oP136_62_c_2d_3cd_7d_4d_d:Bi-C-Cl-H-N-O +mp-1182466,BiC8N4Cl7,-5.618473455,0.5793040145,1.0364607994,1.0364607994,GGA,P2_12_12,AB8C7D4_oP40_18_a_4c_b3c_2c:Bi-C-Cl-N,40.0,AB8C7D4_oP40_18_a_4c_b3c_2c:Bi-C-Cl-N +mp-743965,SiH12N2(O2F3)2,-4.9369238224,-1.1742578596,0.5263348062000001,0.5263348062000001,GGA,C2/c,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:F-H-N-O-Si,50.0,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:F-H-N-O-Si +mp-1179548,SiH12N2(O2F3)2,-5.3445011412,-1.5818351784,0.1187574874,0.1187574874,GGA,C2/c,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:F-H-N-O-Si,50.0,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:F-H-N-O-Si +mp-1196212,SiH6(NF3)2,-5.454543263,-1.8596407327,0.051725744,0.051725744,GGA,Pbca,A6B6C2D_oP60_61_3c_3c_c_a:F-H-N-Si,60.0,A6B6C2D_oP60_61_3c_3c_c_a:F-H-N-Si +mp-1195832,SiH12(NF)4,-5.3819194133,-1.2328753114,0.0120029746,0.0120029746,GGA,Cmce,A4B12C4D_oC84_64_g_2f2g_2f_a:F-H-N-Si,42.0,A4B12C4D_oC84_64_g_2f2g_2f_a:F-H-N-Si +mp-759722,SiH8(NF3)2,-5.3750048344,-1.8038877729,0.0,-0.0220561454,GGA,P6_3mc,A6B8C2D_hP34_186_2c_ab2c_ab_b:F-H-N-Si,34.0,"Invalid WP multiplicities - A6B8C2D_hP34_186_9c_a2b10c_ab_b:F-H-N-Si, expected SiH33N2F27 to be SiH8(NF3)2" +mp-1226454,CoSiH15N6(OF3)2,-5.5890006094,-1.2404281165,0.1028877063,0.1028877063,GGA+U,P-1,AB6C15D6E2F_aP62_2_i_6i_15i_6i_2i_i:Co-F-H-N-O-Si,62.0,"Invalid WP multiplicities - AB6C15D6E2F_aP62_2_i_10i_27i_10i_2i_i:Co-F-H-N-O-Si, expected CoSiH27N10(OF5)2 to be CoSiH15N6(OF3)2" +mp-24122,CoSiH12(OF)6,-5.4412552319,-1.8106646766,0.0256405181,0.0256405181,GGA+U,R-3,AB6C12D6E_hR78_148_a_f_2f_f_b:Co-F-H-O-Si,26.0,AB6C12D6E_hR78_148_a_f_2f_f_b:Co-F-H-O-Si +mp-643277,SiH6(NF2)2,-5.5769846927,-1.7230939219,0.0,-0.0228847724,GGA,P2_1/c,A4B6C2D_mP26_14_2e_3e_e_a:F-H-N-Si,26.0,A4B6C2D_mP26_14_2e_3e_e_a:F-H-N-Si +mp-1219374,SiH7N2F5,-5.463224059,-1.7695717235,0.0,-0.0006946193,GGA,Pc,A5B7C2D_mP30_7_5a_7a_2a_a:F-H-N-Si,30.0,"Invalid WP multiplicities - A5B7C2D_mP30_7_9a_14a_2a_a:F-H-N-Si, expected SiH14N2F9 to be SiH7N2F5" +mp-1226428,Eu2P3(HO3)3,-7.8284773271,-2.4489309943,0.0359073279,0.0359073279,GGA,P-1,A2B3C9D3_aP34_2_2i_3i_9i_3i:Eu-H-O-P,34.0,"Invalid WP multiplicities - A2B3C9D3_aP34_2_2i_3i_13i_3i:Eu-H-O-P, expected Eu2P3H3O13 to be Eu2P3(HO3)3" +mp-555522,EuPH5CO7,-6.961563417,-1.8622686835,0.116745761,0.116745761,GGA,P-1,ABC5D7E_aP30_2_i_i_5i_7i_i:C-Eu-H-O-P,30.0,"Invalid WP multiplicities - ABC5D7E_aP30_2_i_i_9i_13i_i:C-Eu-H-O-P, expected EuPH9CO13 to be EuPH5CO7" +mp-1199131,NaEuP2H4CO7,-7.0078065233,-2.0182738509,0.0879483203,0.0879483203,GGA,P2_1/c,ABC4DE7F2_mP64_14_e_e_4e_e_7e_2e:C-Eu-H-Na-O-P,64.0,ABC4DE7F2_mP64_14_e_e_4e_e_7e_2e:C-Eu-H-Na-O-P +mp-2230167,K2MgMn3V2(HO5)2,-7.3228496025,-2.0364858444,0.1532941384,0.1532941384,GGA+U,P-1,A2B2CD3E10F2_aP20_2_i_i_b_ei_5i_i:H-K-Mg-Mn-O-V,20.0,"Invalid WP multiplicities - A2B2CD3E10F2_aP20_2_i_i_b_ei_9i_i:H-K-Mg-Mn-O-V, expected K2MgMn3V2(HO9)2 to be K2MgMn3V2(HO5)2" +mp-2230132,K2MgMn3V2(HO5)2,-7.3557244565,-2.0693606984,0.1204192844,0.1204192844,GGA+U,Cm,A2B2CD3E10F2_mC40_8_2a_2a_a_ab_6a2b_2a:H-K-Mg-Mn-O-V,20.0,A2B2CD3E10F2_mC40_8_2a_2a_a_ab_6a2b_2a:H-K-Mg-Mn-O-V +mp-1204397,KMgV5(H8O11)2,-6.5004360116,-1.8061920623,0.0142699169,0.0142699169,GGA+U,P-1,A16BCD22E5_aP90_2_16i_i_i_22i_5i:H-K-Mg-O-V,90.0,A16BCD22E5_aP90_2_16i_i_i_22i_5i:H-K-Mg-O-V +mp-762295,K2Mn3V2(HO5)2,-7.6307392616,-2.1503710978,0.0,-0.0189858778,GGA+U,C2/m,A2B2C3D10E2_mC38_12_i_i_ah_3ij_i:H-K-Mn-O-V,38.0,"Invalid WP multiplicities - A2B2C3D10E2_mC38_12_i_i_a2h_3ij_i:H-K-Mn-O-V, expected K2Mn5V2(HO5)2 to be K2Mn3V2(HO5)2" +mp-766534,Li12CrFe3P4(CO7)4,-7.2542620554,-2.3495439513,0.054632408,0.054632408,GGA+U,Pm,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Cr-Fe-Li-O-P,52.0,A4BC3D12E28F4_mP52_6_2a2b_a_a2b_2a2b4c_10a10b4c_2a2b:C-Cr-Fe-Li-O-P +mp-766533,Li12Cr3FeP4(CO7)4,-7.3252331619,-2.3750140479,0.0704511921,0.0704511921,GGA+U,Pm,A4B3CD12E28F4_mP52_6_2a2b_a2b_a_2a2b4c_10a10b4c_2a2b:C-Cr-Fe-Li-O-P,52.0,A4B3CD12E28F4_mP52_6_2a2b_a2b_a_2a2b4c_10a10b4c_2a2b:C-Cr-Fe-Li-O-P +mp-704853,CrFe4P2(CO)18,-7.677157,-0.4791078607,0.9054466684,0.9054466684,GGA+U,P2_1/c,A18BC4D18E2_mP172_14_18e_e_4e_18e_2e:C-Cr-Fe-O-P,172.0,"Invalid WP multiplicities - A18BC4D18E2_mP172_14_68e_e_11e_71e_6e:C-Cr-Fe-O-P, expected CrFe11P6C68O71 to be CrFe4P2(CO)18" +mp-756846,Li6CrFeP2(CO7)2,-7.2951530481,-2.367684439,0.0571363606,0.0571363606,GGA+U,Pm,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Cr-Fe-Li-O-P,26.0,A2BCD6E14F2_mP26_6_ab_a_b_ab2c_5a5b2c_ab:C-Cr-Fe-Li-O-P +mp-1201462,H6AuC3O2,-5.5120193269,-0.4112183127,0.2828043016,0.2828043016,GGA,P2_1/c,AB3C6D2_mP96_14_2e_6e_12e_4e:Au-C-H-O,96.0,AB3C6D2_mP96_14_2e_6e_12e_4e:Au-C-H-O +mp-555921,PH9AuC3ClO3,-5.3227942687,-0.6785543696,0.1546499356,0.1546499356,GGA,Pbca,AB3CD9E3F_oP144_61_c_3c_c_9c_3c_c:Au-C-Cl-H-O-P,144.0,"Invalid WP multiplicities - AB3CD9E3F_oP144_61_c_17c_c_70c_18c_c:Au-C-Cl-H-O-P, expected PH70AuC17ClO18 to be PH9AuC3ClO3" +mp-1173427,P2H26AuC9Cl3O4,-4.969090304,-0.2868298942,0.3154487966,0.3154487966,GGA,Cmc2_1,AB9C3D26E4F2_oC180_36_a_a4b_ab_2a12b_2ab_b:Au-C-Cl-H-O-P,90.0,"Invalid WP multiplicities - AB9C3D26E4F2_oC180_36_a_2a11b_2a3b_4a34b_4a2b_b:Au-C-Cl-H-O-P, expected P2H72AuC24(ClO)8 to be P2H26AuC9Cl3O4" +mp-504426,LiH5S(NO2)2,-5.785647291,-1.2111282407,0.0861763736,0.0861763736,GGA,Pna2_1,A5BC2D4E_oP52_33_5a_a_2a_4a_a:H-Li-N-O-S,52.0,A5BC2D4E_oP52_33_5a_a_2a_4a_a:H-Li-N-O-S +mp-1203097,LiH4SNO5,-5.8007321993000005,-1.4102142497,0.1217144711,0.1217144711,GGA,Pbca,A4BCD5E_oP96_61_4c_c_c_5c_c:H-Li-N-O-S,96.0,A4BCD5E_oP96_61_4c_c_c_5c_c:H-Li-N-O-S +mp-1222478,Li3SNO3,-5.9481335162,-1.8181610755,0.0443825847,0.0443825847,GGA,Pmn2_1,A3BC3D_oP16_31_ab_a_ab_a:Li-N-O-S,16.0,A3BC3D_oP16_31_ab_a_ab_a:Li-N-O-S +mp-699447,RbLiH4S2(NO3)2,-5.9018257741,-1.4589268384,0.0649287393,0.0649287393,GGA,P-1,A4BC2D6EF2_aP64_2_8i_2i_4i_12i_2i_4i:H-Li-N-O-Rb-S,64.0,A4BC2D6EF2_aP64_2_8i_2i_4i_12i_2i_4i:H-Li-N-O-Rb-S +mp-773491,RbH2SNO3,-5.8386145005,-1.4537398645,0.0548676236,0.0548676236,GGA,Pbca,A2BC3DE_oP64_61_2c_c_3c_c_c:H-N-O-Rb-S,64.0,"Invalid WP multiplicities - A2BC3DE_oP64_61_5c_c_9c_c_c:H-N-O-Rb-S, expected RbH5SNO9 to be RbH2SNO3" +mp-1193559,RbSNO4,-5.5790821286,-0.8304773129,0.9061119195,0.9061119195,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:N-O-Rb-S,28.0,AB4CD_oP28_62_c_2cd_c_c:N-O-Rb-S +mp-1193297,LiS2N3O8,-5.9053947968,-0.5650507207000001,0.8201430826,0.8201430826,GGA,P2_1,AB3C8D2_mP28_4_a_3a_8a_2a:Li-N-O-S,28.0,AB3C8D2_mP28_4_a_3a_8a_2a:Li-N-O-S +mp-728777,Rb2S2NO6,-6.1168585018,-1.7304407681,0.1653252019,0.1653252019,GGA,C2/c,AB6C2D2_mC44_15_e_3f_f_f:N-O-Rb-S,22.0,AB6C2D2_mC44_15_e_3f_f_f:N-O-Rb-S +mp-1194292,LiSNO4,-5.6979507925,-0.8167190063,0.9044791807,0.9044791807,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:Li-N-O-S,28.0,ABC4D_mP28_4_2a_2a_8a_2a:Li-N-O-S +mp-1198004,LiSNO4,-5.7074000771,-0.8261682909,0.8950298961,0.8950298961,GGA,P2_1/c,ABC4D_mP56_14_2e_2e_8e_2e:Li-N-O-S,56.0,ABC4D_mP56_14_2e_2e_8e_2e:Li-N-O-S +mp-1192948,LiSNO4,-5.7131894518,-0.8319576656000001,0.8892405214,0.8892405214,GGA,Pna2_1,ABC4D_oP28_33_a_a_4a_a:Li-N-O-S,28.0,ABC4D_oP28_33_a_a_4a_a:Li-N-O-S +mp-740717,LiH4SNO4,-5.8174634319,-1.4775064607,0.0044376051,0.0003988817,GGA,P2_1/c,A4BCD4E_mP88_14_8e_2e_2e_8e_2e:H-Li-N-O-S,88.0,A4BCD4E_mP88_14_8e_2e_2e_8e_2e:H-Li-N-O-S +mp-1194832,LiH4SNO4,-5.821901037,-1.4819440658,0.0,-0.0040387234,GGA,Pca2_1,A4BCD4E_oP88_29_8a_2a_2a_8a_2a:H-Li-N-O-S,88.0,A4BCD4E_oP88_29_8a_2a_2a_8a_2a:H-Li-N-O-S +mp-557560,LiH4SNO4,-5.8170130068,-1.4770560356,0.0048880302,0.0008493068,GGA,Pna2_1,A4BCD4E_oP44_33_4a_a_a_4a_a:H-Li-N-O-S,44.0,"Invalid WP multiplicities - A4BCD4E_oP44_33_12a_a_a_13a_a:H-Li-N-O-S, expected LiH12SNO13 to be LiH4SNO4" +mp-555770,RbH4SNO4,-5.7135810889,-1.4580230989,0.0051791631,0.0051791631,GGA,Pnma,A4BC4DE_oP44_62_2cd_c_2cd_c_c:H-N-O-Rb-S,44.0,"Invalid WP multiplicities - A4BC4DE_oP44_62_8c4d_c_8c6d_c_c:H-N-O-Rb-S, expected RbH16SNO20 to be RbH4SNO4" +mp-699450,LiH2SNO3,-5.8898866964,-1.3889634611,0.1389896856,0.1389896856,GGA,Pca2_1,A2BCD3E_oP64_29_4a_2a_2a_6a_2a:H-Li-N-O-S,64.0,A2BCD3E_oP64_29_4a_2a_2a_6a_2a:H-Li-N-O-S +mp-1219615,RbSNO,-5.5977317231,-0.9976898292,0.333398085,0.333398085,GGA,P2_12_12_1,ABCD_oP16_19_a_a_a_a:N-O-Rb-S,16.0,ABCD_oP16_19_a_a_a_a:N-O-Rb-S +mp-1195524,SiH12C8(NO2)8,-6.6206833157,-0.7138759092,0.5505715724,0.5505715724,GGA,P-42_1c,A8B12C8D16E_tP90_114_2e_3e_2e_4e_a:C-H-N-O-Si,90.0,A8B12C8D16E_tP90_114_2e_3e_2e_4e_a:C-H-N-O-Si +mp-1194877,SiH16C8(NO2)4,-6.308700638,-0.7287615007,0.2676281205,0.2676281205,GGA,P2_1/c,A8B16C4D8E_mP148_14_8e_16e_4e_8e_e:C-H-N-O-Si,148.0,A8B16C4D8E_mP148_14_8e_16e_4e_8e_e:C-H-N-O-Si +mp-1194648,SiH12C6(NO2)4,-6.2089178097,-0.5821593285000001,0.5400283597000001,0.5400283597000001,GGA,P-1,A6B12C4D8E_aP62_2_6i_12i_4i_8i_i:C-H-N-O-Si,62.0,A6B12C4D8E_aP62_2_6i_12i_4i_8i_i:C-H-N-O-Si +mp-1193294,SiH3CNO,-5.9851169561,-0.5400676284,0.5552472115,0.5552472115,GGA,Pnma,AB3CDE_oP28_62_c_cd_c_c_c:C-H-N-O-Si,28.0,AB3CDE_oP28_62_c_cd_c_c_c:C-H-N-O-Si +mp-1195368,SiH14C6(NO2)2,-5.9343494919,-0.5730450359,0.2486373743,0.2486373743,GGA,P2_12_12_1,A6B14C2D4E_oP108_19_6a_14a_2a_4a_a:C-H-N-O-Si,108.0,A6B14C2D4E_oP108_19_6a_14a_2a_4a_a:C-H-N-O-Si +mp-1196362,Si5H15C4NO12,-6.4974634366,-1.5615471595,0.0861595851,0.0861595851,GGA,P2_1,A4B15CD12E5_mP74_4_4a_15a_a_12a_5a:C-H-N-O-Si,74.0,A4B15CD12E5_mP74_4_4a_15a_a_12a_5a:C-H-N-O-Si +mp-1202968,Si2H36C12N6O7,-5.5964193787,-0.3840614403,0.3327672081,0.3327672081,GGA,P-1,A12B36C6D7E2_aP126_2_12i_36i_6i_be6i_2i:C-H-N-O-Si,126.0,A12B36C6D7E2_aP126_2_12i_36i_6i_be6i_2i:C-H-N-O-Si +mp-1195418,SiH23C11N3O8,-6.0168167087,-0.5916790577000001,0.2483792285,0.2483792285,GGA,P-1,A11B23C3D8E_aP92_2_11i_23i_3i_8i_i:C-H-N-O-Si,92.0,A11B23C3D8E_aP92_2_11i_23i_3i_8i_i:C-H-N-O-Si +mp-1195132,Si4MoH36C12(NO)2,-5.4552237083,-0.3324971639,0.1433402779,0.1433402779,GGA+U,Pnma,A12B36CD2E2F4_oP228_62_2c5d_2c17d_c_2c_d_2cd:C-H-Mo-N-O-Si,228.0,A12B36CD2E2F4_oP228_62_2c5d_2c17d_c_2c_d_2cd:C-H-Mo-N-O-Si +mp-729152,SiMo12H24C6N3O40,-7.0953776935,-1.336685012,0.2445842367,0.2445842367,GGA+U,R-3m,A6B24C12D3E40F_hR516_166_2h_2h3i_2hi_h_c7h3i_c:C-H-Mo-N-O-Si,172.0,A6B24C12D3E40F_hR516_166_2h_2h3i_2hi_h_c7h3i_c:C-H-Mo-N-O-Si +mp-695963,K2NaH10IO10,-5.0646137427,-1.3808288635,0.0,-0.0036948441,GGA,P-1,A10BC2DE10_aP48_2_10i_i_2i_i_10i:H-I-K-Na-O,48.0,A10BC2DE10_aP48_2_10i_i_2i_i_10i:H-I-K-Na-O +mp-757218,K4Na2H18Pd(IO10)2,-5.0993203968,-1.3713181857,0.0,-0.0069189877,GGA,P-1,A18B2C4D2E20F_aP47_2_9i_i_2i_i_10i_a:H-I-K-Na-O-Pd,47.0,"Invalid WP multiplicities - A18B2C4D2E20F_aP47_2_17i_i_3i_i_19i_a:H-I-K-Na-O-Pd, expected K6Na2H34Pd(IO19)2 to be K4Na2H18Pd(IO10)2" +mp-1226380,HgAs3H12C4S6N,-4.9097158303,-0.2777304889,0.0509540536,0.0509540536,GGA,C2/c,A3B4C12DEF6_mC216_15_3f_4f_12f_f_f_6f:As-C-H-Hg-N-S,108.0,A3B4C12DEF6_mC216_15_3f_4f_12f_f_f_6f:As-C-H-Hg-N-S +mp-1198652,TeH18C9S6N3Cl,-5.4659362514,-0.2304866521,0.139752514,0.139752514,GGA,Pna2_1,A9BC18D3E6F_oP152_33_9a_a_18a_3a_6a_a:C-Cl-H-N-S-Te,152.0,A9BC18D3E6F_oP152_33_9a_a_18a_3a_6a_a:C-Cl-H-N-S-Te +mp-759637,Na2SrLiVP2O9,-7.1553836936,-2.7382476691,0.0789396393,0.0789396393,GGA+U,Pna2_1,AB2C9D2EF_oP64_33_a_2a_9a_2a_a_a:Li-Na-O-P-Sr-V,64.0,"Invalid WP multiplicities - AB2C9D2EF_oP64_33_a_7a_34a_5a_a_a:Li-Na-O-P-Sr-V, expected Na7SrLiVP5O34 to be Na2SrLiVP2O9" +mp-1097519,NaSr2Li,-0.657953475,0.9946552917,0.995698472,0.995698472,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Na-Sr,4.0,ABC2_oI8_71_a_b_e:Li-Na-Sr +mp-555920,Na2SrVP2O9,-7.4094131257,-2.8250628907,0.0,-0.0038150071,GGA+U,Pnma,A2B9C2DE_oP60_62_d_5c2d_2c_c_c:Na-O-P-Sr-V,60.0,"Invalid WP multiplicities - A2B9C2DE_oP60_62_d_18c11d_5c_c_c:Na-O-P-Sr-V, expected Na2SrV(PO8)5 to be Na2SrVP2O9" +mp-759976,SrLiVPO6,-7.6215816753,-2.8440059588,0.0738734941,0.0738734941,GGA+U,P2_1/c,AB6CDE_mP40_14_e_6e_e_e_e:Li-O-P-Sr-V,40.0,"Invalid WP multiplicities - AB6CDE_mP40_14_e_11e_e_e_e:Li-O-P-Sr-V, expected SrLiVPO11 to be SrLiVPO6" +mp-1211107,Li2H12C8N2O13,-6.5916981216,-1.2041352754,0.1057940911,0.1057940911,GGA,P2_1/m,A8B12C2D2E13_mP74_11_4f_6f_2e_2e_3e5f:C-H-Li-N-O,74.0,A8B12C2D2E13_mP74_11_4f_6f_2e_2e_3e5f:C-H-Li-N-O +mp-562139,LiCoH24C8(N2O3)4,-5.836511962,-0.4601376358,0.5121488642,0.5121488642,GGA+U,P-3m1,A8BC24DE8F12_hP54_164_di_a_2ij_b_di_2i:C-Co-H-Li-N-O,54.0,"Invalid WP multiplicities - A8BC24DE8F12_hP54_164_di_a_9i6j_b_2d2i_7i:C-Co-H-Li-N-O, expected LiCoH126C8(N8O21)2 to be LiCoH24C8(N2O3)4" +mp-759255,LiCoH8(CO5)2,-6.1847759759,-1.4537183796,0.0650636431,0.0650636431,GGA+U,Cc,A2BC8DE10_mC88_9_2a_a_8a_a_10a:C-Co-H-Li-O,44.0,"Invalid WP multiplicities - A2BC8DE10_mC88_9_2a_a_16a_a_18a:C-Co-H-Li-O, expected LiCoH16(CO9)2 to be LiCoH8(CO5)2" +mp-1180698,LiCoC8(N2O3)4,-6.668883643,0.2944093082,1.4618241472,1.4618241472,GGA+U,P-3m1,A8BCD8E12_hP30_164_di_a_b_di_2i:C-Co-Li-N-O,30.0,A8BCD8E12_hP30_164_di_a_b_di_2i:C-Co-Li-N-O +mp-1196577,LiH3CN2O,-6.2421655057,-0.8752348738,0.0133580007,0.0133580007,GGA,P2_1/c,AB3CD2E_mP96_14_3e_9e_3e_6e_3e:C-H-Li-N-O,96.0,AB3CD2E_mP96_14_3e_9e_3e_6e_3e:C-H-Li-N-O +mp-770604,Li2CoH8(CO5)2,-6.139611283,-1.5312551967,0.0877467989,0.0877467989,GGA+U,P2_1/c,A2BC8D2E10_mP46_14_e_a_4e_e_5e:C-Co-H-Li-O,46.0,"Invalid WP multiplicities - A2BC8D2E10_mP46_14_e_a_15e_e_17e:C-Co-H-Li-O, expected Li2CoH30(CO17)2 to be Li2CoH8(CO5)2" +mp-770598,Li2CoH8(CO5)2,-6.20199022,-1.5936341337000002,0.025367862,0.025367862,GGA+U,C2/c,A2BC8D2E10_mC92_15_f_e_4f_f_5f:C-Co-H-Li-O,46.0,"Invalid WP multiplicities - A2BC8D2E10_mC92_15_f_e_11f_f_19f:C-Co-H-Li-O, expected Li2CoH22(CO19)2 to be Li2CoH8(CO5)2" +mp-1223381,Li2Co2H24C6(N4O5)3,-6.242272512,-0.8476795755000001,0.1901889295,0.1901889295,GGA+U,P1,A6B2C24D2E12F15_aP61_1_6a_2a_24a_2a_12a_15a:C-Co-H-Li-N-O,61.0,A6B2C24D2E12F15_aP61_1_6a_2a_24a_2a_12a_15a:C-Co-H-Li-N-O +mp-1225498,ErCoC,-7.2499676833,-0.2817336508,0.0582462683,0.0381212724,GGA,P4/mmm,ABC_tP3_123_a_b_c:C-Co-Er,3.0,ABC_tP3_123_a_b_c:C-Co-Er +mp-8475,ErCoC,-7.3082139517,-0.3399799192,0.0,-0.020124996,GGA,P4_2/mmc,ABC_tP6_131_c_a_f:C-Co-Er,6.0,ABC_tP6_131_c_a_f:C-Co-Er +mp-1200936,ErCoH8C6(N3O2)2,-6.9807476571,-0.6732260296,0.2286260938,0.2286260938,GGA+U,Cmcm,A6BCD8E6F4_oC104_63_fh_a_c_2fh_fh_fg:C-Co-Er-H-N-O,52.0,A6BCD8E6F4_oC104_63_fh_a_c_2fh_fh_fg:C-Co-Er-H-N-O +mp-675944,ErH9C5(NO4)2,-6.7548512272,-1.2551680185,0.1046866088,0.1046866088,GGA,C2,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Er-H-N-O,25.0,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Er-H-N-O +mp-6185,ErCo(CN)6,-8.6102118846,-0.2482833768,0.0418364814,0.0418364814,GGA,P6_3/mmc,A6BCD6_hP28_194_k_a_c_k:C-Co-Er-N,28.0,A6BCD6_hP28_194_k_a_c_k:C-Co-Er-N +mp-1196832,Er6H40N8O49,-6.1571855917,-1.5727675246,0.0,-0.0064823348,GGA,P-1,A6B40C8D49_aP103_2_3i_20i_4i_a24i:Er-H-N-O,103.0,A6B40C8D49_aP103_2_3i_20i_4i_a24i:Er-H-N-O +mp-13501,ErCoC2,-7.89139933,-0.3580574325,0.0,-0.1030724931,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Er,4.0,A2BC_oC8_38_d_a_b:C-Co-Er +mp-644221,H3CSClO,-4.8952022293,-0.5611281056,0.3178537793,0.3178537793,GGA,P2_1/c,ABC3DE_mP28_14_e_e_3e_e_e:C-Cl-H-O-S,28.0,ABC3DE_mP28_14_e_e_3e_e_e:C-Cl-H-O-S +mp-1199462,TcC5ClO5,-8.0086283292,-1.0847994439,0.1704705613,0.1704705613,GGA,Pnma,A5BC5D_oP48_62_c2d_c_c2d_c:C-Cl-O-Tc,48.0,A5BC5D_oP48_62_c2d_c_c2d_c:C-Cl-O-Tc +mp-1204695,TcH12C4S2(Cl2O)2,-5.0971140659,-0.5551765758,0.1981546764,0.1981546764,GGA,P-1,A4B4C12D2E2F_aP75_2_6i_6i_18i_3i_3i_ai:C-Cl-H-O-S-Tc,75.0,A4B4C12D2E2F_aP75_2_6i_6i_18i_3i_3i_ai:C-Cl-H-O-S-Tc +mp-695635,Li3Al3P3H2O14F,-7.128583479,-2.8534305319,0.0069037812,0.0069037812,GGA,P1,A3BC2D3E14F3_aP52_1_6a_2a_4a_6a_28a_6a:Al-F-H-Li-O-P,52.0,A3BC2D3E14F3_aP52_1_6a_2a_4a_6a_28a_6a:Al-F-H-Li-O-P +mp-698160,Al3P2H14(O5F)3,-6.1830686908,-2.1426291042,0.0158681655,0.0158681655,GGA,P-1,A3B3C14D15E2_aP74_2_3i_3i_14i_15i_2i:Al-F-H-O-P,74.0,A3B3C14D15E2_aP74_2_3i_3i_14i_15i_2i:Al-F-H-O-P +mp-732346,Al3P2H14(O5F)3,-5.18180982,-1.1413702334,1.0171270363,1.0171270363,GGA,P-1,A3B3C14D15E2_aP74_2_3i_3i_14i_15i_2i:Al-F-H-O-P,74.0,A3B3C14D15E2_aP74_2_3i_3i_14i_15i_2i:Al-F-H-O-P +mp-1222822,Li2Al2P2O9F,-7.2126340644,-2.9271790784,0.0642223217,0.0642223217,GGA,P1,A2BC2D9E2_aP16_1_2a_a_2a_9a_2a:Al-F-Li-O-P,16.0,A2BC2D9E2_aP16_1_2a_a_2a_9a_2a:Al-F-Li-O-P +mp-1229117,AlP2H4O8F,-6.7040980691000005,-2.352343464,0.0045045085,0.0045045085,GGA,Pc,ABC4D8E2_mP64_7_2a_2a_8a_16a_4a:Al-F-H-O-P,64.0,"Invalid WP multiplicities - ABC4D8E2_mP64_7_3a_3a_11a_24a_6a:Al-F-H-O-P, expected Al3P6H11(O8F)3 to be AlP2H4O8F" +mp-1247815,AlP2H4O8F,-6.693138102,-2.341383497,0.0154644756,0.0154644756,GGA,P2_1/c,ABC4D8E2_mP64_14_e_e_4e_8e_2e:Al-F-H-O-P,64.0,"Invalid WP multiplicities - ABC4D8E2_mP64_14_e_e_13e_29e_5e:Al-F-H-O-P, expected AlP5H13O29F to be AlP2H4O8F" +mp-41795,LiAlPO4F,-7.2226687725,-3.1269143955,0.0086867906,0.0086867906,GGA,P-1,ABCD4E_aP16_2_ab_i_i_4i_i:Al-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_ab_i_i_7i_i:Al-F-Li-O-P, expected LiAlPO7F to be LiAlPO4F" +mp-2716342,NaY2Ti2P3(SO8)3,-7.8680579543,-2.7990225902,0.0437186495,0.0437186495,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Ti-Y,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Ti-Y +mp-2716073,Na3Y2Ti2P5SO24,-7.9132602232,-2.9777198553,0.0414160918,0.0414160918,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Y,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Ti-Y +mp-2712605,NaYTiP2SO12,-7.8613811336,-2.8609473648,0.0724411551,0.0724411551,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Ti-Y,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Ti-Y, expected NaYTiP7SO60 to be NaYTiP2SO12" +mp-2712963,YTiP(SO6)2,-7.8305382926,-2.6888659453,0.0423695244,0.0423695244,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Ti-Y,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Ti-Y, expected YTiPS3O20 to be YTiP(SO6)2" +mp-1199657,Ta3H20C4Br8NO4,-5.3667769586,-0.8445271543,0.1623920629,0.1623920629,GGA,C2/c,A8B4C20DE4F3_mC320_15_2e7f_4f_20f_f_4f_3f:Br-C-H-N-O-Ta,160.0,A8B4C20DE4F3_mC320_15_2e7f_4f_20f_f_4f_3f:Br-C-H-N-O-Ta +mp-725945,TaBr5N2,-4.1733525834,0.3636360578,1.4571086857,1.4571086857,GGA,P4/mnc,A5B2C_tP32_128_ei_abd_e:Br-N-Ta,32.0,A5B2C_tP32_128_ei_abd_e:Br-N-Ta +mp-1200933,H8CBrN5O3,-5.80617991,-0.5591775244,0.2758825228,0.2758825228,GGA,P2_1/c,ABC8D5E3_mP72_14_e_e_8e_5e_3e:Br-C-H-N-O,72.0,ABC8D5E3_mP72_14_e_e_8e_5e_3e:Br-C-H-N-O +mp-697676,H2Pb4SO8,-5.9841177913,-1.6277177962,0.0012866377,0.0012866377,GGA,P-1,A2B8C4D_aP30_2_2i_8i_4i_i:H-O-Pb-S,30.0,A2B8C4D_aP30_2_2i_8i_4i_i:H-O-Pb-S +mp-743742,Fe6H12Pb(SO7)4,-6.5362332029,-1.6284181,0.0,-0.0099120602,GGA+U,R-3m,A6B12C28DE4_hR153_166_h_2h_2c4h_a_2c:Fe-H-O-Pb-S,51.0,"Invalid WP multiplicities - A6B12C28DE4_hR153_166_h_3h_4c7h_a_3c:Fe-H-O-Pb-S, expected Fe6H18Pb(S3O25)2 to be Fe6H12Pb(SO7)4" +mp-1189324,Fe3Pb(SO7)2,-6.711714134,-1.3792515144,0.2092643433,0.2092643433,GGA+U,R-3m,A3B14CD2_hR60_166_d_c2h_a_c:Fe-O-Pb-S,20.0,A3B14CD2_hR60_166_d_c2h_a_c:Fe-O-Pb-S +mp-1201833,Fe6Pb(SO7)4,-6.6593094751,-1.2853131235,0.2438958156,0.2438958156,GGA+U,R-3m,A6B28CD4_hR117_166_h_2c4h_a_2c:Fe-O-Pb-S,39.0,A6B28CD4_hR117_166_h_2c4h_a_2c:Fe-O-Pb-S +mp-735523,Fe3PH6PbSO14,-6.6895028285,-1.7555620092000002,0.0,-0.0048821739,GGA+U,R3m,A3B6C14DEF_hR78_160_b_2b_2a4b_a_a_a:Fe-H-O-P-Pb-S,26.0,A3B6C14DEF_hR78_160_b_2b_2a4b_a_a_a:Fe-H-O-P-Pb-S +mp-1225140,FeH7C3NO6,-6.5380748294,-1.0979788742,0.0957804767,0.0957804767,GGA+U,C2,A3BC7DE6_mC72_5_ab2c_c_ab6c_c_6c:C-Fe-H-N-O,36.0,"Invalid WP multiplicities - A3BC7DE6_mC72_5_ab4c_c_ab12c_c_12c:C-Fe-H-N-O, expected FeH13C5NO12 to be FeH7C3NO6" +mp-1203197,FeH7C3NO6,-6.5479845111,-1.1078885558,0.085870795,0.085870795,GGA+U,P6_3,A3BC7DE6_hP108_173_3c_c_a2b6c_a2b_6c:C-Fe-H-N-O,108.0,A3BC7DE6_hP108_173_3c_c_a2b6c_a2b_6c:C-Fe-H-N-O +mp-1226448,FeH9C5NO6,-6.3367050384,-0.738318208,0.278731765,0.278731765,GGA+U,Cc,A5BC9DE6_mC88_9_5a_a_9a_a_6a:C-Fe-H-N-O,44.0,"Invalid WP multiplicities - A5BC9DE6_mC88_9_8a_a_18a_a_12a:C-Fe-H-N-O, expected FeH18C8NO12 to be FeH9C5NO6" +mp-1204423,FeH9C4(NO2)3,-6.6243276549,-0.9456826711,0.0752017633,0.0752017633,GGA+U,Pnna,A4BC9D3E6_oP92_52_2ce_d_c4e_ce_3e:C-Fe-H-N-O,92.0,A4BC9D3E6_oP92_52_2ce_d_c4e_ce_3e:C-Fe-H-N-O +mp-1212733,FeH12C2(N5O3)2,-6.5240136071,-0.6954605022,0.1139395784,0.1139395784,GGA+U,P-1,A2BC12D10E6_aP31_2_i_a_6i_5i_3i:C-Fe-H-N-O,31.0,A2BC12D10E6_aP31_2_i_a_6i_5i_3i:C-Fe-H-N-O +mp-558641,FeH44C12(N5O8)2,-5.7879835701,-0.5951411396,0.2749092171,0.2749092171,GGA+U,P-1,A12BC44D10E16_aP83_2_6i_a_22i_5i_8i:C-Fe-H-N-O,83.0,"Invalid WP multiplicities - A12BC44D10E16_aP83_2_11i_a_43i_10i_15i:C-Fe-H-N-O, expected FeH86C22(N2O3)10 to be FeH44C12(N5O8)2" +mp-866783,FeH6C2(NO2)2,-6.596231284,-1.0133344067,0.0319397347,0.0319397347,GGA+U,C2/c,A2BC6D2E4_mC60_15_f_e_3f_f_2f:C-Fe-H-N-O,30.0,A2BC6D2E4_mC60_15_f_e_3f_f_2f:C-Fe-H-N-O +mp-1191073,Pr2Fe17H3,-7.48041887,-0.0381302239,0.1101506067,0.1101506067,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Pr,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Pr +mp-1190963,Pr2Fe17N3,-8.3484016673,-0.2319627193,0.0629653311,0.0629653311,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Pr,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-N-Pr +mp-1213436,FeH12C4(N9O2)2,-6.9930058732,-0.4304146113,0.1012221399,0.1012221399,GGA+U,P2_1/c,A4BC12D18E4_mP78_14_2e_a_6e_9e_2e:C-Fe-H-N-O,78.0,A4BC12D18E4_mP78_14_2e_a_6e_9e_2e:C-Fe-H-N-O +mp-1194812,Fe2H14C8NO12,-6.5597360784,-0.9931336338,0.1534262402,0.1534262402,GGA+U,R-3c,A8B2C14DE12_hR666_167_4f_bce_7f_e_6f:C-Fe-H-N-O,222.0,A8B2C14DE12_hR666_167_4f_bce_7f_e_6f:C-Fe-H-N-O +mp-1201732,PrFeH8C6(N3O2)2,-6.9257318846,-0.557637551,0.3308085918,0.3308085918,GGA+U,Cmcm,A6BC8D6E4F_oC104_63_fh_a_2fh_fh_fg_c:C-Fe-H-N-O-Pr,52.0,A6BC8D6E4F_oC104_63_fh_a_2fh_fh_fg_c:C-Fe-H-N-O-Pr +mp-1213612,FeH18C6N6O13,-6.5258544050000005,-1.0886497284,0.0303341724,0.0303341724,GGA+U,P2_1/c,A6BC18D6E13_mP176_14_6e_e_18e_6e_13e:C-Fe-H-N-O,176.0,A6BC18D6E13_mP176_14_6e_e_18e_6e_13e:C-Fe-H-N-O +mp-1202369,PrH16C2N11O17,-6.303115148,-0.9133916219,0.2654793544,0.2654793544,GGA,C2/c,A2B16C11D17E_mC188_15_f_8f_e5f_e8f_e:C-H-N-O-Pr,94.0,A2B16C11D17E_mC188_15_f_8f_e5f_e8f_e:C-H-N-O-Pr +mp-510473,FeH9C3N7O2,-6.4835285149,-0.3499196972,0.2397641626,0.2397641626,GGA+U,P2_1/c,A3BC9D7E2_mP88_14_3e_e_9e_7e_2e:C-Fe-H-N-O,88.0,A3BC9D7E2_mP88_14_3e_e_9e_7e_2e:C-Fe-H-N-O +mp-707219,K2Zr2ZnH12(OF2)6,-5.6658140643,-2.4113416305,0.0,-0.0059508335,GGA,P2_1/c,A12B12C2D6EF2_mP70_14_6e_6e_e_3e_a_e:F-H-K-O-Zn-Zr,70.0,A12B12C2D6EF2_mP70_14_6e_6e_e_3e_a_e:F-H-K-O-Zn-Zr +mp-707782,K6Zr3H8(OF)12,-5.9006594814,-2.4434566503,0.0,-0.0141751225,GGA,Pnma,A12B8C6D12E3_oP164_62_2c5d_4c2d_3d_6c3d_cd:F-H-K-O-Zr,164.0,A12B8C6D12E3_oP164_62_2c5d_4c2d_3d_6c3d_cd:F-H-K-O-Zr +mp-1196802,K2ZrHF7,-5.8568977478,-3.3531179895,0.0,-0.0147150164,GGA,Pbca,A7BC2D_oP88_61_7c_c_2c_c:F-H-K-Zr,88.0,A7BC2D_oP88_61_7c_c_2c_c:F-H-K-Zr +mp-555482,KZrH2OF5,-6.1439849795,-3.0492214579,0.0005299129,0.0005299129,GGA,P2_1/c,A5B2CDE_mP80_14_10e_4e_2e_2e_2e:F-H-K-O-Zr,80.0,"Invalid WP multiplicities - A5B2CDE_mP80_14_35e_12e_6e_5e_6e:F-H-K-O-Zr, expected K6Zr6H12(OF7)5 to be KZrH2OF5" +mp-728736,Mn2PH9(C4O3)3,-6.9005962685,-0.551018941,0.5352777611,0.5352777611,GGA+U,P2_1/c,A12B9C2D9E_mP132_14_12e_9e_2e_9e_e:C-H-Mn-O-P,132.0,A12B9C2D9E_mP132_14_12e_9e_2e_9e_e:C-H-Mn-O-P +mp-1199960,MnP2H12(CO2)4,-6.2011605548,-1.1200677954,0.1332195799,0.1332195799,GGA+U,P-1,A4B12CD8E2_aP108_2_8i_24i_2i_16i_4i:C-H-Mn-O-P,108.0,A4B12CD8E2_aP108_2_8i_24i_2i_16i_4i:C-H-Mn-O-P +mp-1210269,NaMnH2C3O7,-7.3804744952,-1.6959880572,0.0502680224,0.0502680224,GGA+U,P2_1/c,A3B2CDE7_mP56_14_3e_2e_e_e_7e:C-H-Mn-Na-O,56.0,A3B2CDE7_mP56_14_3e_2e_e_e_7e:C-H-Mn-Na-O +mp-24493,Na3MnP3(H12O11)2,-5.8442211948,-1.700408451,0.0145707669,0.0145707669,GGA+U,P2_1/c,A24BC3D22E3_mP212_14_24e_e_3e_22e_3e:H-Mn-Na-O-P,212.0,A24BC3D22E3_mP212_14_24e_e_3e_22e_3e:H-Mn-Na-O-P +mp-758109,Mn2PH2CO7,-7.7662734398,-2.0448679281,0.0162762846,0.0162762846,GGA+U,P2_1/c,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-H-Mn-O-P,52.0,"Invalid WP multiplicities - AB2C2D7E_mP52_14_e_7e_3e_27e_e:C-H-Mn-O-P, expected Mn3PH7CO27 to be Mn2PH2CO7" +mp-1195148,NaMnH3(CO2)3,-7.0533045091,-1.4798154044,0.0966386942,0.0966386942,GGA+U,P2_13,A3B3CDE6_cP56_198_b_b_a_a_2b:C-H-Mn-Na-O,56.0,A3B3CDE6_cP56_198_b_b_a_a_2b:C-H-Mn-Na-O +mp-24586,NaMn3P3(HO6)2,-7.6969444338,-2.4019827522,0.0,-0.0051970517,GGA+U,C2/c,A2B3CD12E3_mC84_15_f_ef_e_6f_ef:H-Mn-Na-O-P,42.0,"Invalid WP multiplicities - A2B3CD12E3_mC84_15_f_e2f_e_11f_e2f:H-Mn-Na-O-P, expected NaMn5P5(HO11)2 to be NaMn3P3(HO6)2" +mp-760042,MnPH2CO6,-7.4623082059,-1.9832566015,0.020107187,0.020107187,GGA+U,C2/m,AB2CD6E_mC44_12_i_j_g_3j_h:C-H-Mn-O-P,44.0,AB2CD6E_mC44_12_i_j_g_3j_h:C-H-Mn-O-P +mp-1197360,Na2Mn3P2H2(C4O9)2,-7.4778859563,-1.4603752617,0.4271480269,0.4271480269,GGA+U,P2_1/c,A8B2C3D2E18F2_mP70_14_4e_e_ae_e_9e_e:C-H-Mn-Na-O-P,70.0,A8B2C3D2E18F2_mP70_14_4e_e_ae_e_9e_e:C-H-Mn-Na-O-P +mp-725508,MnPH5CO4,-6.4646875598,-1.4184901964,0.0316641017,0.0316641017,GGA+U,Pna2_1,AB5CD4E_oP48_33_a_5a_a_4a_a:C-H-Mn-O-P,48.0,AB5CD4E_oP48_33_a_5a_a_4a_a:C-H-Mn-O-P +mp-727956,MnPH2(CO)4,-7.1332385554,-0.6280563301000001,0.7426045619,0.7426045619,GGA+U,P2/c,A4B2CD4E_mP72_13_6g_3g_eg_6g_eg:C-H-Mn-O-P,72.0,A4B2CD4E_mP72_13_6g_3g_eg_6g_eg:C-H-Mn-O-P +mp-1192997,CsFeP(H6O5)2,-5.8010177188,-1.6026846892000002,0.0,-0.0094123191,GGA+U,F-43m,ABC12D10E_cF100_216_a_c_h_eg_b:Cs-Fe-H-O-P,25.0,ABC12D10E_cF100_216_a_c_h_eg_b:Cs-Fe-H-O-P +mp-1198124,CsB2P2HO9,-7.4924807825,-2.6262330909,0.0,-0.0140643015,GGA,P2_1/c,A2BCD9E2_mP60_14_2e_e_e_9e_2e:B-Cs-H-O-P,60.0,A2BCD9E2_mP60_14_2e_e_e_9e_2e:B-Cs-H-O-P +mp-757463,CsFeBP2HO9,-7.4546154652,-2.4689924777,0.0,-0.0120703268,GGA+U,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-Cs-Fe-H-O-P,60.0,"Invalid WP multiplicities - ABCDE9F2_mP60_14_e_e_e_e_35e_3e:B-Cs-Fe-H-O-P, expected CsFeBP3HO35 to be CsFeBP2HO9" +mp-1197350,CsFeBP3O11,-7.7069858207,-2.6070858974,0.0043267849,0.0043267849,GGA+U,Pnma,ABCD11E3_oP68_62_c_c_a_b2c4d_cd:B-Cs-Fe-O-P,68.0,ABCD11E3_oP68_62_c_c_a_b2c4d_cd:B-Cs-Fe-O-P +mp-1199679,K2Zr2NiH12(OF2)6,-5.7726981597,-2.3890716382,0.0,-0.0079937652,GGA+U,P2_1/c,A12B12C2DE6F2_mP70_14_6e_6e_e_a_3e_e:F-H-K-Ni-O-Zr,70.0,A12B12C2DE6F2_mP70_14_6e_6e_e_a_3e_e:F-H-K-Ni-O-Zr +mp-1104005,ZrNi(OF)6,-4.9782618057,-1.0156301355,0.9292484313,0.9292484313,GGA+U,R-3,A6BC6D_hR42_148_f_a_f_b:F-Ni-O-Zr,14.0,A6BC6D_hR42_148_f_a_f_b:F-Ni-O-Zr +mp-977569,NaH6CN2ClO2,-5.6151150119,-1.0518495513,0.017706676,0.017706676,GGA,C2,ABC6D2EF2_mC52_5_c_c_6c_2c_c_abc:C-Cl-H-N-Na-O,26.0,"Invalid WP multiplicities - ABC6D2EF2_mC52_5_c_c_11c_3c_c_abc:C-Cl-H-N-Na-O, expected NaH11CN3ClO2 to be NaH6CN2ClO2" +mp-1199928,NaH6CN2ClO2,-5.6168406208,-1.0535751601,0.0159810671,0.0159810671,GGA,Pmn2_1,ABC6D2EF2_oP52_31_b_b_6b_2b_2a_2ab:C-Cl-H-N-Na-O,52.0,ABC6D2EF2_oP52_31_b_b_6b_2b_2a_2ab:C-Cl-H-N-Na-O +mp-510467,K2CrH2Cl5O,-4.772005023,-1.7857623443,0.0,-0.0329651533,GGA+U,Pnma,A5BC2D2E_oP44_62_3cd_c_d_d_c:Cl-Cr-H-K-O,44.0,A5BC2D2E_oP44_62_3cd_c_d_d_c:Cl-Cr-H-K-O +mp-24100,KCrH18N6(ClO2)4,-5.2132224403,-0.7706134638000001,0.3766889114,0.3766889114,GGA+U,R-3,A4BC18DE6F8_hR114_148_2c_a_3f_b_f_cf:Cl-Cr-H-K-N-O,38.0,"Invalid WP multiplicities - A4BC18DE6F8_hR114_148_2c_a_7f_b_f_2c2f:Cl-Cr-H-K-N-O, expected KCrH42N6(ClO4)4 to be KCrH18N6(ClO2)4" +mp-24099,KCrH18N6(ClO2)4,-5.2122581274,-0.7696491509000001,0.3776532243,0.3776532243,GGA+U,R-3m,A4BC18DE6F8_hR114_166_2c_a_hi_b_h_ch:Cl-Cr-H-K-N-O,38.0,"Invalid WP multiplicities - A4BC18DE6F8_hR114_166_2c_a_h2i_b_h_2c2h:Cl-Cr-H-K-N-O, expected KCrH30N6(ClO4)4 to be KCrH18N6(ClO2)4" +mp-706605,K4ZrH10C8O21,-6.6921736935,-1.5870295175,0.2056963142,0.2056963142,GGA,P2_1/c,A8B10C4D21E_mP176_14_8e_10e_4e_21e_e:C-H-K-O-Zr,176.0,A8B10C4D21E_mP176_14_8e_10e_4e_21e_e:C-H-K-O-Zr +mp-698292,K2ZrCdH16(CO3)8,-6.5789452196,-1.6073133347000002,0.0418346316,0.0418346316,GGA,I-4,A8BC16D2E24F_tI104_82_2g_a_4g_bc_6g_d:C-Cd-H-K-O-Zr,52.0,A8BC16D2E24F_tI104_82_2g_a_4g_bc_6g_d:C-Cd-H-K-O-Zr +mp-556400,Cs2K2TeO5,-4.9778268365,-1.7889916277,0.0,-0.1536286755,GGA,P4_2/mnm,A2B2C5D_tP40_136_dg_j_fij_f:Cs-K-O-Te,40.0,"Invalid WP multiplicities - A2B2C5D_tP40_136_2d2g_j_4f6i6j_f:Cs-K-O-Te, expected Cs4K2TeO28 to be Cs2K2TeO5" +mp-1213764,Cs2TeSO10,-5.3625868473,-1.181340589,0.3334366787,0.3334366787,GGA,P2_1/c,A2B10CD_mP56_14_2e_10e_e_ad:Cs-O-S-Te,56.0,A2B10CD_mP56_14_2e_10e_e_ad:Cs-O-S-Te +mp-559375,CsKTeH6SO10,-5.6149128499,-1.6594728268,0.0,-0.0098138206,GGA,Pc,AB6CD10EF_mP80_7_2a_12a_2a_20a_2a_2a:Cs-H-K-O-S-Te,80.0,"Invalid WP multiplicities - AB6CD10EF_mP80_7_3a_22a_2a_39a_2a_3a:Cs-H-K-O-S-Te, expected Cs3K2Te3H22S2O39 to be CsKTeH6SO10" +mp-1200289,As2C4S2O,-5.9296441294,0.6761877844,1.1424498956,1.1424498956,GGA,C2/c,A2B4CD2_mC72_15_2f_4f_f_2f:As-C-O-S,,A2B4CD2_mC72_15_2f_4f_f_2f:As-C-O-S +mp-1237705,As2C4S2O,-6.0841902808,0.5216416331,0.9879037442,0.9879037442,GGA,C2/c,A2B4CD2_mC72_15_2f_4f_f_2f:As-C-O-S,36.0,A2B4CD2_mC72_15_2f_4f_f_2f:As-C-O-S +mp-1203137,Sn2As2H24C8S2O3,-5.1165451615,-0.3432501515,0.1450119573,0.1450119573,GGA,P-1,A2B8C24D3E2F2_aP82_2_2i_8i_24i_3i_2i_2i:As-C-H-O-S-Sn,82.0,A2B8C24D3E2F2_aP82_2_2i_8i_24i_3i_2i_2i:As-C-H-O-S-Sn +mp-39938,K2Re3CS5N,-7.3820588256,-0.8985763922000001,0.0,-0.0199504754,GGA,Pmna,AB2CD3E5_oP48_53_h_gh_h_hi_g2hi:C-K-N-Re-S,48.0,"Invalid WP multiplicities - AB2CD3E5_oP48_53_h_2gh_h_2hi_2g3h2i:C-K-N-Re-S, expected K3Re4CS9N to be K2Re3CS5N" +mp-1246820,ReTeN,-7.9142367233,0.0605392778,0.332376858,0.332376858,GGA,P4/nmm,ABC_tP6_129_a_c_c:N-Re-Te,6.0,ABC_tP6_129_a_c_c:N-Re-Te +mp-1213559,K2Re3TeC3(SN)3,-7.7843312919,-0.5974968789,0.0049242606,0.0049242606,GGA,Ia-3,A3B2C3D3E3F_cI240_206_e_ad_e_e_e_c:C-K-N-Re-S-Te,120.0,A3B2C3D3E3F_cI240_206_e_ad_e_e_e_c:C-K-N-Re-S-Te +mp-727071,Re3Te4(CN)3,-7.8029743279,0.0895092399,0.3197795683,0.3197795683,GGA,P2_1/c,A3B3C3D4_mP52_14_3e_3e_3e_4e:C-N-Re-Te,52.0,A3B3C3D4_mP52_14_3e_3e_3e_4e:C-N-Re-Te +mp-1226951,K4Re6TeC6S7N6,-7.8382366144,-0.6182974023000001,0.0102776019,0.0102776019,GGA,I2_13,A6B4C6D6E7F_cI240_199_2c_a2b_2c_2c_a2c_a:C-K-N-Re-S-Te,120.0,A6B4C6D6E7F_cI240_199_2c_a2b_2c_2c_a2c_a:C-K-N-Re-S-Te +mp-999290,PuCoC2,-10.09359614,-0.1352243625,0.0,-0.058982578,GGA,Amm2,A2BC_oC8_38_d_a_b:C-Co-Pu,4.0,A2BC_oC8_38_d_a_b:C-Co-Pu +mp-729906,PuCoH24C4N6O13,-6.2967216179,-1.1121876184,0.057813014,0.057813014,GGA+U,P-1,A4BC24D6E13F_aP98_2_4i_be_24i_6i_13i_i:C-Co-H-N-O-Pu,98.0,A4BC24D6E13F_aP98_2_4i_be_24i_6i_13i_i:C-Co-H-N-O-Pu +mp-1325679,PuCoH24C4N6O13,-5.3991950146,-0.2146610152,0.9553396173,0.9553396173,GGA+U,P-1,A4BC24D6E13F_aP98_2_4i_ab_24i_6i_13i_i:C-Co-H-N-O-Pu,98.0,A4BC24D6E13F_aP98_2_4i_ab_24i_6i_13i_i:C-Co-H-N-O-Pu +mp-744404,K2FeH4(SO5)2,-6.0587323839,-1.7428634297,0.0974187659,0.0974187659,GGA+U,P1,AB4C2D10E2_aP38_1_2a_8a_4a_20a_4a:Fe-H-K-O-S,38.0,AB4C2D10E2_aP38_1_2a_8a_4a_20a_4a:Fe-H-K-O-S +mp-697221,K2FeH4(SO5)2,-6.1532322387,-1.8373632845,0.0029189111,0.0029189111,GGA+U,P-1,AB4C2D10E2_aP38_2_i_4i_2i_10i_2i:Fe-H-K-O-S,38.0,"Invalid WP multiplicities - AB4C2D10E2_aP38_2_i_8i_4i_20i_4i:Fe-H-K-O-S, expected K4FeH8(SO5)4 to be K2FeH4(SO5)2" +mp-731953,K2FeH4(SO5)2,-4.8113748568,-0.4955059026,1.344776293,1.344776293,GGA+U,P-1,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Fe-H-K-O-S,19.0,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Fe-H-K-O-S +mp-644324,K2FeH4(SO5)2,-6.1511134471,-1.8352444929,0.0050377027,0.0050377027,GGA+U,P-1,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Fe-H-K-O-S,76.0,AB4C2D10E2_aP19_2_a_2i_i_5i_i:Fe-H-K-O-S +mp-764405,KFeH2S2O9,-6.45430567,-1.8437076445,0.0096571263,0.0096571263,GGA+U,P2_1/m,AB2CD9E2_mP30_11_e_f_e_5e2f_2e:Fe-H-K-O-S,60.0,AB2CD9E2_mP30_11_e_f_e_5e2f_2e:Fe-H-K-O-S +mp-1225282,K3TiFeH4S4O19,-6.5405982486,-2.0468326477,0.0013458261,0.0013458261,GGA+U,Cc,AB4C3D19E4F_mC128_9_a_4a_3a_19a_4a_a:Fe-H-K-O-S-Ti,64.0,"Invalid WP multiplicities - AB4C3D19E4F_mC128_9_a_6a_3a_28a_5a_a:Fe-H-K-O-S-Ti, expected K3TiFeH6S5O28 to be K3TiFeH4S4O19" +mp-1238434,K3TiFeH4S4O19,-6.2296584098,-1.7358928089,0.3122856649,0.3122856649,GGA+U,Cc,AB4C3D19E4F_mC128_9_a_4a_3a_19a_4a_a:Fe-H-K-O-S-Ti,64.0,"Invalid WP multiplicities - AB4C3D19E4F_mC128_9_a_6a_3a_28a_5a_a:Fe-H-K-O-S-Ti, expected K3TiFeH6S5O28 to be K3TiFeH4S4O19" +mp-24811,KTiH2S2O9,-6.665475765,-2.0931796858,0.0510072083,0.0510072083,GGA,P2_1/m,A2BC9D2E_mP30_11_2e_e_5e2f_2e_e:H-K-O-S-Ti,30.0,A2BC9D2E_mP30_11_2e_e_5e2f_2e_e:H-K-O-S-Ti +mp-603575,KFe3H6(SO7)2,-5.6075755777000005,-0.8228309416,0.8713828913,0.8713828913,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S,26.0,"Invalid WP multiplicities - A3B6CD14E2_hR78_166_d_h_a_2c5h_c:Fe-H-K-O-S, expected KFe3H6(SO17)2 to be KFe3H6(SO7)2" +mp-1180952,KFe3H6(SO7)2,-4.9373610158000005,-0.1526163797,1.5415974532,1.5415974532,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S,26.0,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S +mp-1192851,KFe3H6(SO7)2,-6.4779419231,-1.693197287,0.0010165459,0.0010165459,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S,26.0,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S +mp-563048,KFe3H6(SO7)2,-5.5487526008,-0.7640079647,0.9302058682,0.9302058682,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Fe-H-K-O-S,26.0,"Invalid WP multiplicities - A3B6CD14E2_hR78_166_d_h_a_2c5h_c:Fe-H-K-O-S, expected KFe3H6(SO17)2 to be KFe3H6(SO7)2" +mp-1223303,KTi3FeO8,-8.6022837785,-2.9991756325,0.0352212504,0.0352212504,GGA+U,Cm,ABC8D3_mC26_8_a_a_8a_3a:Fe-K-O-Ti,13.0,ABC8D3_mC26_8_a_a_8a_3a:Fe-K-O-Ti +mp-1224576,KFe6H12S4O29,-6.3958684212,-1.5373489819,0.0681596486,0.0681596486,GGA+U,P2/m,A6B12CD29E4_mP52_10_bgo_mn2o_c_e3m3n4o_mn:Fe-H-K-O-S,52.0,"Invalid WP multiplicities - A6B12CD29E4_mP52_10_aeo_2m2n8o_c_h6m6n16o_2m2n:Fe-H-K-O-S, expected KFe6H40S8O89 to be KFe6H12S4O29" +mp-510730,K2FeH12(SO7)2,-5.7836868558,-1.6246522321,0.0004432829,0.0004432829,GGA+U,P2_1/c,AB12C2D14E2_mP62_14_a_6e_e_7e_e:Fe-H-K-O-S,62.0,"Invalid WP multiplicities - AB12C2D14E2_mP62_14_a_19e_e_25e_e:Fe-H-K-O-S, expected K2FeH38(SO25)2 to be K2FeH12(SO7)2" +mp-1224572,K2FeH8(SO6)2,-5.9220690642000005,-1.7034373949,0.0039880788,0.0029874522,GGA+U,C2,AB8C2D12E2_mC100_5_ab_8c_2c_2a11c_2c:Fe-H-K-O-S,50.0,"Invalid WP multiplicities - AB8C2D12E2_mC100_5_ab_11c_3c_2a14c_2c:Fe-H-K-O-S, expected K3FeH11S2O15 to be K2FeH8(SO6)2" +mp-542146,K2FeH8(SO6)2,-5.926057143,-1.7074254737,0.0,-0.0010006266,GGA+U,P2_1/c,AB8C2D12E2_mP100_14_ad_8e_2e_12e_2e:Fe-H-K-O-S,100.0,AB8C2D12E2_mP100_14_ab_8e_2e_12e_2e:Fe-H-K-O-S +mp-1224807,K2Fe9H18S6O43,-6.4346438599,-1.6007160217,0.0343610096,0.0343610096,GGA+U,C2/m,A9B18C2D43E6_mC156_12_aeij_3i3j_i_d9i6j_3i:Fe-H-K-O-S,78.0,"Invalid WP multiplicities - A9B18C2D43E6_mC156_12_c2ei3j_6i12j_i_a18i24j_6i:Fe-H-K-O-S, expected K2Fe19H60S12O133 to be K2Fe9H18S6O43" +mp-694884,KFeH5(SO5)2,-5.7263253221,-1.290333889,0.4264025227,0.4264025227,GGA+U,P1,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Fe-H-K-O-S,19.0,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Fe-H-K-O-S +mp-1223582,KFeH5(SO5)2,-6.1493147643,-1.7133233313,0.0034130804,0.0034130804,GGA+U,P1,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Fe-H-K-O-S,76.0,AB5CD10E2_aP19_1_a_5a_a_10a_2a:Fe-H-K-O-S +mp-1207994,U2NCl2,-7.540014504,-0.6167368510000001,1.1356585993,1.1356585993,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Cl-N-U,5.0,A2BC2_tP5_123_g_a_g:Cl-N-U +mp-23019,UNCl,-9.0734502933,-1.9146364283,0.0,-0.0546989847,GGA,P4/nmm,ABC_tP6_129_c_a_c:Cl-N-U,6.0,ABC_tP6_129_c_a_c:Cl-N-U +mp-1196240,USi8H56(C4N)4,-5.2783980662,-0.2702658268,0.0710368253,0.0710368253,GGA,C2/c,A16B56C4D8E_mC340_15_8f_28f_2f_4f_e:C-H-N-Si-U,170.0,A16B56C4D8E_mC340_15_8f_28f_2f_4f_e:C-H-N-Si-U +mp-1216630,U4SiN3,-10.291848535,-0.8417931794,0.3443794319,0.3443794319,GGA,I4/mmm,A3BC4_tI16_139_ad_b_ce:N-Si-U,8.0,"Invalid WP multiplicities - A3BC4_tI16_139_a2d_b_2c2e:N-Si-U, expected U8SiN5 to be U4SiN3" +mp-1246839,Ca7SN6,-5.6340705348,-0.7630263508,0.3185166531,0.3185166531,GGA,Pbcn,A7B6C_oP56_60_c3d_3d_c:Ca-N-S,56.0,A7B6C_oP56_60_c3d_3d_c:Ca-N-S +mp-1246149,Ca4SN4,-5.9263283794,-0.8702362587,0.2936114843,0.2936114843,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Ca-N-S,18.0,A4B4C_aP18_2_4i_4i_i:Ca-N-S +mp-1246875,Ca4SN4,-5.9026908586,-0.8465987378000001,0.3172490051,0.3172490051,GGA,Pnma,A4B4C_oP36_62_4c_4c_c:Ca-N-S,36.0,A4B4C_oP36_62_4c_4c_c:Ca-N-S +mp-1198811,CaHgC4S4N4O3,-6.2962893997,-0.1812430752,0.7310554386,0.7310554386,GGA,P2_1/c,A4BCD4E3F4_mP68_14_4e_e_e_4e_3e_4e:C-Ca-Hg-N-O-S,68.0,A4BCD4E3F4_mP68_14_4e_e_e_4e_3e_4e:C-Ca-Hg-N-O-S +mp-11009,CaC2(SN)2,-7.1433175121,-0.6563431623,0.0915994282,0.0915994282,GGA,C2/c,A2BC2D2_mC28_15_f_e_f_f:C-Ca-N-S,14.0,A2BC2D2_mC28_15_f_e_f_f:C-Ca-N-S +mp-1214318,Ca2S3(NO6)2,-6.3136447842,-1.4476551134,0.6405925486,0.6405925486,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Ca-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Ca-N-O-S +mp-1201288,Cd2P2H10CCl2O11,-5.5738397943,-1.5045912364,0.1423198586,0.1423198586,GGA,P-1,AB2C2D10E11F2_aP56_2_i_2i_2i_10i_11i_2i:C-Cd-Cl-H-O-P,56.0,AB2C2D10E11F2_aP56_2_i_2i_2i_10i_11i_2i:C-Cd-Cl-H-O-P +mp-1194067,NaNiH4SO6F,-5.7610679071,-1.732380246,0.0,-0.001355153,GGA+U,P2_1/m,AB4CDE6F_mP28_11_e_2f_e_a_2e2f_e:F-H-Na-Ni-O-S,28.0,AB4CDE6F_mP28_11_e_2f_e_a_2e2f_e:F-H-Na-Ni-O-S +mp-542864,Na2NiH12(SO7)2,-5.6543455039,-1.5683957781,0.0171044811,0.0171044811,GGA+U,P2_1/c,A12B2CD14E2_mP62_14_6e_e_a_7e_e:H-Na-Ni-O-S,62.0,"Invalid WP multiplicities - A12B2CD14E2_mP62_14_20e_e_a_26e_e:H-Na-Ni-O-S, expected Na2NiH40(SO26)2 to be Na2NiH12(SO7)2" +mp-510526,Na2NiH8(SO6)2,-5.7863337524,-1.6583273566,0.0,-0.0013264153,GGA+U,P2_1/c,A8B2CD12E2_mP50_14_4e_e_a_6e_e:H-Na-Ni-O-S,50.0,A8B2CD12E2_mP50_14_4e_e_a_6e_e:H-Na-Ni-O-S +mp-1180853,Na2NiH8(SO6)2,-5.3395754942,-1.2115690984,0.4467582582,0.4454318429,GGA+U,P2_1/c,A8B2CD12E2_mP50_14_4e_e_a_6e_e:H-Na-Ni-O-S,50.0,"Invalid WP multiplicities - A8B2CD12E2_mP50_14_5e_e_a_10e_e:H-Na-Ni-O-S, expected Na2NiH10(SO10)2 to be Na2NiH8(SO6)2" +mp-1173544,NaNi2H3(SO5)2,-5.8416503556,-1.3527190425,0.3523512761,0.3455001474,GGA+U,Cm,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-S,18.0,"Invalid WP multiplicities - A3BC2D10E2_mC36_8_3a_a_b_6a4b_2a:H-Na-Ni-O-S, expected NaNi2H3(SO7)2 to be NaNi2H3(SO5)2" +mp-1173549,NaNi2H3(SO5)2,-5.6648634689,-1.1759321559,0.5291381628,0.522287034,GGA+U,Cm,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-S,18.0,"Invalid WP multiplicities - A3BC2D10E2_mC36_8_3a_a_b_6a4b_2a:H-Na-Ni-O-S, expected NaNi2H3(SO7)2 to be NaNi2H3(SO5)2" +mp-1221038,NaNi2H3(SO5)2,-6.1940016317,-1.7050703186,0.0,-0.0068511287,GGA+U,Cm,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-S,18.0,A3BC2D10E2_mC36_8_3a_a_b_6a2b_2a:H-Na-Ni-O-S +mp-1173649,NaNi2H3(SO5)2,-6.1935540056,-1.7046226925,0.0004476261,-0.0064035026,GGA+U,C2/m,A3BC2D10E2_mC36_12_ai_c_e_3ij_i:H-Na-Ni-O-S,18.0,"Invalid WP multiplicities - A3BC2D10E2_mC36_12_c2i_b_e_6ij_i:H-Na-Ni-O-S, expected NaNi2H5(SO8)2 to be NaNi2H3(SO5)2" +mp-1247527,Zn3Ga3N5,-5.1569377436,-0.1982110598,0.1745723959,0.1745723959,GGA,P-1,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Zn,22.0,A3B5C3_aP22_2_3i_5i_3i:Ga-N-Zn +mp-1190865,GaPH4NO5,-6.1434301521,-1.5532433862,0.1861769134,0.1861769134,GGA,P2_1/m,AB4CD5E_mP24_11_a_2ef_e_3ef_e:Ga-H-N-O-P,24.0,AB4CD5E_mP24_11_a_2ef_e_3ef_e:Ga-H-N-O-P +mp-554388,ZnGa3N3O,-5.9085994172,-0.8710737717,0.0694226947,0.0694226947,GGA,P1,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn,32.0,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn +mp-554674,ZnGa3N3O,-0.5770888416000001,4.4604368039,5.4009332703,5.4009332703,GGA,P1,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn,32.0,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn +mp-555777,ZnGa3N3O,-0.7283149134,4.309210732,5.2497071984,5.2497071984,GGA,P1,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn,32.0,A3B3CD_aP32_1_12a_12a_4a_4a:Ga-N-O-Zn +mp-1246049,Zn3(GaN2)2,-4.94828088,-0.1503472606,0.1593176589,0.1593176589,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Ga-N-Zn,18.0,A2B4C3_mC36_15_f_2f_ef:Ga-N-Zn +mp-1246054,Zn3(GaN2)2,-4.9247728511,-0.1268392317,0.1828256878,0.1828256878,GGA,Pnna,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Zn,36.0,A2B4C3_oP36_52_cd_2e_ce:Ga-N-Zn +mp-695873,ZnP3H12NO13,-6.0639008662,-1.7020404715000002,0.0319993977,0.0319993977,GGA,P-1,A12BC13D3E_aP60_2_12i_i_13i_3i_be:H-N-O-P-Zn,60.0,A12BC13D3E_aP60_2_12i_i_13i_3i_be:H-N-O-P-Zn +mp-1213475,Ga2P2H4NO8,-6.5471047304,-1.9374749744,0.0240544442,0.0240544442,GGA,C2/c,A2B4CD8E2_mC136_15_2f_4f_f_8f_2f:Ga-H-N-O-P,68.0,A2B4CD8E2_mC136_15_2f_4f_f_8f_2f:Ga-H-N-O-P +mp-1212950,Ga2P3H8(NO4)3,-6.3246789068,-1.5458340055000002,0.2538298894,0.2538298894,GGA,C2/c,A2B8C3D12E3_mC112_15_f_4f_ef_6f_ef:Ga-H-N-O-P,56.0,A2B8C3D12E3_mC112_15_f_4f_ef_6f_ef:Ga-H-N-O-P +mp-758996,Zn5P6H22(NO11)2,-5.7464255056,-1.554870285,0.0289824296,0.0289824296,GGA,P-1,A22B2C22D6E5_aP57_2_11i_i_11i_3i_a2i:H-N-O-P-Zn,57.0,"Invalid WP multiplicities - A22B2C22D6E5_aP57_2_21i_i_21i_5i_a3i:H-N-O-P-Zn, expected Zn7P10H42(NO21)2 to be Zn5P6H22(NO11)2" +mp-24267,ZnP4H16(NO8)2,-6.1236835333,-1.6873609798,0.002128744,0.002128744,GGA,P-1,A16B2C16D4E_aP39_2_8i_i_8i_2i_a:H-N-O-P-Zn,39.0,"Invalid WP multiplicities - A16B2C16D4E_aP39_2_11i_i_12i_2i_a:H-N-O-P-Zn, expected ZnP4H22(NO12)2 to be ZnP4H16(NO8)2" +mp-705497,Ga2P2H9NO11,-6.1279887689,-1.7212926804,0.0730337879,0.0730337879,GGA,P2_1/c,A2B9CD11E2_mP100_14_2e_9e_e_11e_2e:Ga-H-N-O-P,100.0,"Invalid WP multiplicities - A2B9CD11E2_mP100_14_7e_35e_e_41e_7e:Ga-H-N-O-P, expected Ga7P7H35NO41 to be Ga2P2H9NO11" +mp-1201544,Zn3P6H30(N3O13)2,-5.8739087238,-1.4137157201,0.1513364112,0.1513364112,GGA,P-1,A30B6C26D6E3_aP71_2_15i_3i_13i_3i_ai:H-N-O-P-Zn,71.0,A30B6C26D6E3_aP71_2_15i_3i_13i_3i_ai:H-N-O-P-Zn +mp-759413,ZnPH4NO4,-6.0193977782,-1.6223795903,0.0,-0.0085878037,GGA,P6_3,A4BC4DE_hP88_173_a5c_ac_b5c_bc_bc:H-N-O-P-Zn,88.0,"Invalid WP multiplicities - A4BC4DE_hP88_173_a27c_a2c_2b27c_2b3c_2b3c:H-N-O-P-Zn, expected Zn11P11H82N7O83 to be ZnPH4NO4" +mp-758916,Ga2P3H12(NO4)3,-6.2645402986,-1.6589602544000002,0.0039963433,0.0039963433,GGA,C2/c,A2B12C3D12E3_mC128_15_f_6f_ef_6f_ef:Ga-H-N-O-P,64.0,"Invalid WP multiplicities - A2B12C3D12E3_mC128_15_f_19f_2e3f_23f_e2f:Ga-H-N-O-P, expected Ga2P5H38(N4O23)2 to be Ga2P3H12(NO4)3" +mp-693503,Zn2GaP3H8(NO6)2,-6.0131502053,-1.5502018657,0.2816519404,0.2801930426,GGA,P1,AB8C2D12E3F2_aP112_1_4a_32a_8a_48a_12a_8a:Ga-H-N-O-P-Zn,112.0,AB8C2D12E3F2_aP112_1_4a_32a_8a_48a_12a_8a:Ga-H-N-O-P-Zn +mp-1216399,Zn2GaP3H8(NO6)2,-6.2948021456,-1.8318538061,0.0,-0.0014588978,GGA,P1,AB8C2D12E3F2_aP112_1_4a_32a_8a_48a_12a_8a:Ga-H-N-O-P-Zn,112.0,AB8C2D12E3F2_aP112_1_4a_32a_8a_48a_12a_8a:Ga-H-N-O-P-Zn +mp-758284,ZnP2H7NO8,-6.1512426333,-1.7435881305,0.0,-0.0056071604,GGA,P2_1/c,A7BC8D2E_mP76_14_7e_e_8e_2e_e:H-N-O-P-Zn,76.0,"Invalid WP multiplicities - A7BC8D2E_mP76_14_23e_e_31e_3e_e:H-N-O-P-Zn, expected ZnP3H23NO31 to be ZnP2H7NO8" +mp-1200255,Zn4P3H7(NO6)2,-6.1432803086,-1.8196653564,0.0,-0.008710575,GGA,P-1,A7B2C12D3E4_aP56_2_7i_2i_12i_3i_4i:H-N-O-P-Zn,56.0,A7B2C12D3E4_aP56_2_7i_2i_12i_3i_4i:H-N-O-P-Zn +mp-707891,Zn2P2HNO8,-6.2404450179,-1.622671954,0.4653697799,0.4653697799,GGA,P-1,ABC8D2E2_aP28_2_i_i_8i_2i_2i:H-N-O-P-Zn,28.0,ABC8D2E2_aP28_2_i_i_8i_2i_2i:H-N-O-P-Zn +mp-560887,ZnGaNO,-5.5450711725,-1.1523153553,0.0718607088,0.0718607088,GGA,P1,ABCD_aP32_1_8a_8a_8a_8a:Ga-N-O-Zn,32.0,ABCD_aP32_1_8a_8a_8a_8a:Ga-N-O-Zn +mp-558481,ZnGaNO,-5.5588825362000005,-1.1661267191,0.058049345,0.058049345,GGA,Pmc2_1,ABCD_oP8_26_a_a_b_b:Ga-N-O-Zn,8.0,ABCD_oP8_26_a_a_b_b:Ga-N-O-Zn +mp-558498,ZnGaNO,-5.5424957475,-1.1497399303,0.0744361337,0.0744361337,GGA,P3m1,ABCD_hP32_156_ab2d_ab2d_ab2d_ab2d:Ga-N-O-Zn,32.0,"Invalid WP multiplicities - ABCD_hP32_156_ab4d_ab4d_ab5d_ab5d:Ga-N-O-Zn, expected Zn17Ga14N14O17 to be ZnGaNO" +mp-1198219,Zn5P6H14(NO11)2,-5.6874391971,-1.3654628866,0.4654089533,0.4654089533,GGA,P-1,A14B2C22D6E5_aP49_2_7i_i_11i_3i_a2i:H-N-O-P-Zn,49.0,A14B2C22D6E5_aP49_2_7i_i_11i_3i_a2i:H-N-O-P-Zn +mp-721013,ZnGaP2H4NO8,-6.4630429516,-1.9574339257,0.0087605748,0.0087605748,GGA,P1,AB4CD8E2F_aP68_1_4a_16a_4a_32a_8a_4a:Ga-H-N-O-P-Zn,68.0,AB4CD8E2F_aP68_1_4a_16a_4a_32a_8a_4a:Ga-H-N-O-P-Zn +mp-693132,ZnGaP2H4NO8,-6.4397446368,-1.9341356108,0.0320588896,0.0320588896,GGA,P2_1,AB4CD8E2F_mP68_4_2a_8a_2a_16a_4a_2a:Ga-H-N-O-P-Zn,68.0,"Invalid WP multiplicities - AB4CD8E2F_mP68_4_3a_16a_4a_32a_8a_3a:Ga-H-N-O-P-Zn, expected Zn3Ga3P8H16(NO8)4 to be ZnGaP2H4NO8" +mp-558136,Te4W(OF4)5,-5.2029856315,-2.2531730745,0.0159780033,0.0159780033,GGA+U,P-1,A20B5C4D_aP60_2_20i_5i_4i_i:F-O-Te-W,60.0,"Invalid WP multiplicities - A20B5C4D_aP60_2_40i_9i_7i_i:F-O-Te-W, expected Te7WO9F40 to be Te4W(OF4)5" +mp-1179966,Sb2Te3WC4(OF3)4,-5.7828411655,-1.5411021341,0.4513402467,0.4513402467,GGA+U,Pnma,A4B12C4D2E3F_oP104_62_2cd_4c4d_2cd_2c_cd_c:C-F-O-Sb-Te-W,104.0,"Invalid WP multiplicities - A4B12C4D2E3F_oP104_62_7c4d_15c28d_6c4d_4c_3c2d_c:C-F-O-Sb-Te-W, expected Sb4Te7WC15O14F71 to be Sb2Te3WC4(OF3)4" +mp-1198791,Sb2Te3WC4(OF3)4,-6.0279406801,-1.7862016488,0.2062407321,0.2062407321,GGA+U,Pnma,A4B12C4D2E3F_oP104_62_2cd_4c4d_2cd_2c_cd_c:C-F-O-Sb-Te-W,104.0,A4B12C4D2E3F_oP104_62_2cd_4c4d_2cd_2c_cd_c:C-F-O-Sb-Te-W +mp-699606,Sb3WC6O6F17,-6.2742760611,-1.9442032847,0.2776598729,0.2776598729,GGA+U,P2_1,A6B17C6D3E_mP66_4_6a_17a_6a_3a_a:C-F-O-Sb-W,66.0,"Invalid WP multiplicities - A6B17C6D3E_mP66_4_12a_33a_12a_5a_a:C-F-O-Sb-W, expected Sb5WC12(O4F11)3 to be Sb3WC6O6F17" +mp-696616,MnH8(N2Cl)2,-5.4226590673,-0.5328672892,0.141068003,0.141068003,GGA,C2/m,A2B8CD4_mC30_12_i_2j_a_j:Cl-H-Mn-N,15.0,A2B8CD4_mC30_12_i_2j_a_j:Cl-H-Mn-N +mp-1079655,Mn(NCl3)2,-3.65823849,0.4446754102,0.9430137867,0.9430137867,GGA,Fm-3m,A6BC2_cF36_225_e_a_c:Cl-Mn-N,9.0,A6BC2_cF36_225_e_a_c:Cl-Mn-N +mp-1180720,MnC8(NCl2)2,-5.8686193798,1.268612335,1.6851468709,1.6851468709,GGA,Pnma,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Mn-N,60.0,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Mn-N +mp-568698,Mn2H30C9N3Cl7,-5.2107666599,-0.4830599391,0.0742466027,0.0742466027,GGA,P6_3mc,A9B7C30D2E3_hP102_186_cd_b2c_2c4d_ab_c:C-Cl-H-Mn-N,102.0,"Invalid WP multiplicities - A9B7C30D2E3_hP102_186_6c5d_2b7c_11c36d_2a2b_c:C-Cl-H-Mn-N, expected Mn4H249C48N3Cl23 to be Mn2H30C9N3Cl7" +mp-567451,MnH8C2NCl3,-5.2101877085,-0.6339704057000001,0.054914867,0.054914867,GGA,P2_1/c,A2B3C8DE_mP60_14_2e_3e_8e_e_e:C-Cl-H-Mn-N,60.0,"Invalid WP multiplicities - A2B3C8DE_mP60_14_3e_10e_30e_e_e:C-Cl-H-Mn-N, expected MnH30C3NCl10 to be MnH8C2NCl3" +mp-1221677,MnH6(NCl)2,-5.3222234336,-0.7869111853,0.0,-0.0116652549,GGA,C2,A2B6CD2_mC22_5_2a_3c_b_c:Cl-H-Mn-N,11.0,"Invalid WP multiplicities - A2B6CD2_mC22_5_2a_5c_b_c:Cl-H-Mn-N, expected MnH10(NCl)2 to be MnH6(NCl)2" +mp-568043,MnH16C4(NCl2)2,-5.1733661526,-0.5649428018,0.0343724869,0.0343724869,GGA,Pbca,A4B4C16DE2_oP108_61_2c_2c_8c_a_c:C-Cl-H-Mn-N,108.0,"Invalid WP multiplicities - A4B4C16DE2_oP108_61_11c_6c_59c_a_c:C-Cl-H-Mn-N, expected MnH118C22(NCl6)2 to be MnH16C4(NCl2)2" +mp-1190482,MnNCl3,-4.8045241935,-0.1957001541,0.7013089235000001,0.7013089235000001,GGA,Pnma,A3BC_oP20_62_cd_a_c:Cl-Mn-N,20.0,A3BC_oP20_62_cd_a_c:Cl-Mn-N +mp-1180177,MnNCl3,-4.5700135075,0.0388105319,0.9358196095,0.9358196095,GGA,Cmcm,A3BC_oC40_63_efg_d_2c:Cl-Mn-N,20.0,A3BC_oC40_63_efg_d_2c:Cl-Mn-N +mp-1069129,MnNCl3,-4.54820412,0.0606199194,0.957628997,0.957628997,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Cl-Mn-N,5.0,A3BC_cP5_221_c_b_a:Cl-Mn-N +mp-1025343,Mn(NCl2)2,-4.0440541671,0.7029675160000001,1.3436882857,1.3436882857,GGA,I4/mmm,A4BC2_tI14_139_ce_a_e:Cl-Mn-N,7.0,A4BC2_tI14_139_ce_a_e:Cl-Mn-N +mp-1199490,MnH16C4S4(N4Cl)2,-5.8376237248,-0.4863344057,0.0475591156,0.0475591156,GGA,P4_2/n,A4B2C16DE8F4_tP140_86_2g_g_8g_c_4g_2g:C-Cl-H-Mn-N-S,140.0,A4B2C16DE8F4_tP140_86_2g_g_8g_c_4g_2g:C-Cl-H-Mn-N-S +mp-600219,MnH12C2(NCl2)2,-5.0704801206,-0.6705184393,0.0394633843,0.0394633843,GGA,Pccn,A2B4C12DE2_oP84_56_e_cde_6e_a_e:C-Cl-H-Mn-N,84.0,"Invalid WP multiplicities - A2B4C12DE2_oP84_56_e_3c3d6e_40e_a_e:C-Cl-H-Mn-N, expected MnH80C2(NCl9)2 to be MnH12C2(NCl2)2" +mp-698417,MnH12C2(NCl2)2,-5.0609650733,-0.661003392,0.0489784315,0.0489784315,GGA,Cmce,A2B4C12DE2_oC84_64_f_ef_2f2g_a_f:C-Cl-H-Mn-N,42.0,A2B4C12DE2_oC84_64_f_ef_2f2g_a_f:C-Cl-H-Mn-N +mp-569124,MnH12C2(NCl2)2,-5.0718985951,-0.6719369138,0.0380449098,0.0380449098,GGA,P4_2/ncm,A2B4C12DE2_tP84_138_i_aei_2i2j_c_i:C-Cl-H-Mn-N,84.0,"Invalid WP multiplicities - A2B4C12DE2_tP84_138_i_3a3e4i_12i23j_c_i:C-Cl-H-Mn-N, expected MnH116C2(NCl7)2 to be MnH12C2(NCl2)2" +mp-1197204,MnC3NCl3,-5.7681425347,0.5731220496,1.2439385139,1.2439385139,GGA,Pnma,A3B3CD_oP32_62_cd_3c_a_c:C-Cl-Mn-N,32.0,A3B3CD_oP32_62_cd_3c_a_c:C-Cl-Mn-N +mp-1204183,Mo2H37C12N3Cl8,-5.1843563255,-0.3817123279,0.119208344,0.119208344,GGA,Pnma,A12B8C37D2E3_oP248_62_6c3d_2c3d_7c15d_2c_3c:C-Cl-H-Mo-N,248.0,A12B8C37D2E3_oP248_62_6c3d_2c3d_7c15d_2c_3c:C-Cl-H-Mo-N +mp-781992,PH8N4Cl,-5.4541872395,-0.6149281518,0.0054818079,0.0054818079,GGA,Pbcn,AB8C4D_oP56_60_c_4d_2d_c:Cl-H-N-P,56.0,"Invalid WP multiplicities - AB8C4D_oP56_60_c_13d_5d_c:Cl-H-N-P, expected PH26N10Cl to be PH8N4Cl" +mp-850829,P2H12N7Cl,-2.4496866202,2.6295551383,3.2111523959,3.2111523959,GGA,P-1,AB12C7D2_aP44_2_i_12i_7i_2i:Cl-H-N-P,44.0,"Invalid WP multiplicities - AB12C7D2_aP44_2_i_23i_13i_3i:Cl-H-N-P, expected P3H23N13Cl to be P2H12N7Cl" +mp-758356,P2H12N7Cl,-5.6521645348,-0.5729227762,0.0086744814,0.0086744814,GGA,P-1,AB12C7D2_aP44_2_i_12i_7i_2i:Cl-H-N-P,44.0,"Invalid WP multiplicities - AB12C7D2_aP44_2_i_23i_13i_3i:Cl-H-N-P, expected P3H23N13Cl to be P2H12N7Cl" +mp-1346482,P2H12N7Cl,-4.3297288259,0.7495129327000001,1.3311101902,1.3311101902,GGA,P-1,AB12C7D2_aP44_2_i_12i_7i_2i:Cl-H-N-P,44.0,"Invalid WP multiplicities - AB12C7D2_aP44_2_i_23i_13i_3i:Cl-H-N-P, expected P3H23N13Cl to be P2H12N7Cl" +mp-703293,P5HC(NCl6)3,-4.4617029058,-0.9627368799,0.0286482064,0.0286482064,GGA,Cmce,AB18CD3E5_oC224_64_f_2f8g_f_fg_c2fg:C-Cl-H-N-P,112.0,AB18CD3E5_oC224_64_f_2f8g_f_fg_c2fg:C-Cl-H-N-P +mp-1204629,P2H27C10N4Cl,-5.4112985527,-0.1860399274,0.148670034,0.148670034,GGA,Pbca,A10BC27D4E2_oP352_61_10c_c_27c_4c_2c:C-Cl-H-N-P,352.0,A10BC27D4E2_oP352_61_10c_c_27c_4c_2c:C-Cl-H-N-P +mp-1201431,P3H2CN2Cl11,-4.5356097042,-0.8902982193000001,0.0626919988,0.0626919988,GGA,P2_1/c,AB11C2D2E3_mP76_14_e_11e_2e_2e_3e:C-Cl-H-N-P,76.0,AB11C2D2E3_mP76_14_e_11e_2e_2e_3e:C-Cl-H-N-P +mp-705530,P3H4N5Cl4,-5.6735840513,-0.7431194910000001,0.0371167848,0.0371167848,GGA,P2_1/c,A4B4C5D3_mP128_14_8e_8e_10e_6e:Cl-H-N-P,128.0,A4B4C5D3_mP128_14_8e_8e_10e_6e:Cl-H-N-P +mp-1199686,MoP4H38C13(NCl)4,-5.3179077561,-0.284544825,0.13666978,0.13666978,GGA,P2_1/c,A13B4C38DE4F4_mP256_14_13e_4e_38e_e_4e_4e:C-Cl-H-Mo-N-P,256.0,A13B4C38DE4F4_mP256_14_13e_4e_38e_e_4e_4e:C-Cl-H-Mo-N-P +mp-777048,MnVP2(O4F)2,-7.7287822643,-2.55242555,0.0034915866,0.0034915866,GGA+U,P-1,A2BC8D2E_aP14_2_i_b_4i_i_e:F-Mn-O-P-V,28.0,A2BC8D2E_aP14_2_i_b_4i_i_e:F-Mn-O-P-V +mp-2224838,MgV2P2(O4F)2,-7.815358932,-2.8826146101,0.0447918767,0.0447918767,GGA+U,P1,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:F-Mg-O-P-V,15.0,A2BC8D2E2_aP15_1_2a_a_8a_2a_2a:F-Mg-O-P-V +mp-2232522,MgV2P2(O4F)2,-7.792409392,-2.8596650701,0.0677414167,0.0677414167,GGA+U,P-1,A2BC8D2E2_aP15_2_i_a_4i_i_cf:F-Mg-O-P-V,15.0,"Invalid WP multiplicities - A2BC8D2E2_aP15_2_i_a_8i_i_cf:F-Mg-O-P-V, expected MgV2P2(O8F)2 to be MgV2P2(O4F)2" +mp-2232324,MgMnVP2(O4F)2,-7.6860143093,-2.748062706,0.0902054448,0.0902054448,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V +mp-2232419,MgMnVP2(O4F)2,-7.6695958433,-2.73164424,0.1066239108,0.1066239108,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V +mp-2240846,MgMnVP2(O4F)2,-7.68314785,-2.7451962466,0.0930719041,0.0930719041,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Mg-Mn-O-P-V +mp-2240838,MgMnVP2(O4F)2,-7.7383530947,-2.8004014913,0.0378666595,0.0378666595,GGA+U,P-1,A2BCD8E2F_aP15_2_i_a_c_4i_i_f:F-Mg-Mn-O-P-V,15.0,"Invalid WP multiplicities - A2BCD8E2F_aP15_2_i_a_c_7i_i_f:F-Mg-Mn-O-P-V, expected MgMnVP2(O7F)2 to be MgMnVP2(O4F)2" +mp-541483,Rb3Sc(HO)6,-5.5510823553,-1.8441723641,0.0203816811,0.0203816811,GGA,R-3c,A6B6C3D_hR96_167_f_f_e_b:H-O-Rb-Sc,32.0,A6B6C3D_hR96_167_f_f_e_b:H-O-Rb-Sc +mp-1209202,ScB(PO5)2,-7.5438129376,-2.3077162946,0.3155771629,0.3155771629,GGA,P6_122,AB10C2D_hP84_178_b_5c_c_b:B-O-P-Sc,84.0,AB10C2D_hP84_178_b_5c_c_b:B-O-P-Sc +mp-1196883,RbSc(PO4)2,-7.5226551212,-2.7132286312,0.081112131,0.081112131,GGA,P2_1/c,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-Sc,48.0,A8B2CD_mP48_14_8e_2e_e_e:O-P-Rb-Sc +mp-23809,RbScBP2HO9,-7.7231102677,-2.8743153071,0.0,-0.0188271681,GGA,P-1,ABC9D2EF_aP30_2_i_i_9i_2i_i_i:B-H-O-P-Rb-Sc,30.0,"Invalid WP multiplicities - ABC9D2EF_aP30_2_i_i_11i_2i_i_i:B-H-O-P-Rb-Sc, expected RbScBP2HO11 to be RbScBP2HO9" +mp-30099,PdSCl,-4.4763567181,-0.7547339391,0.0204388705,-0.0069791906,GGA,P2_1/m,ABC_mP36_11_2e2f_2e2f_3f:Cl-Pd-S,36.0,"Invalid WP multiplicities - ABC_mP36_11_3e5f_2e2f_7f:Cl-Pd-S, expected Pd6S14Cl13 to be PdSCl" +mp-560901,PdSCl,-4.4967955885,-0.7751728096,0.0,-0.027418061,GGA,P2_1/c,ABC_mP48_14_4e_4e_4e:Cl-Pd-S,48.0,"Invalid WP multiplicities - ABC_mP48_14_11e_16e_11e:Cl-Pd-S, expected Pd16(SCl)11 to be PdSCl" +mp-697127,K3HPdS2(ClO3)2,-5.3991385643,-1.8288778965,0.0555466995,0.0555466995,GGA,Cmc2_1,A2BC3D6EF2_oC60_36_b_a_ab_3b_a_b:Cl-H-K-O-Pd-S,30.0,A2BC3D6EF2_oC60_36_b_a_ab_3b_a_b:Cl-H-K-O-Pd-S +mp-1195978,K2Pd(S2O7)3,-6.2928888617,-1.756227467,0.0,-0.0383129568,GGA,P-1,A2B21CD6_aP120_2_4i_42i_2i_12i:K-O-Pd-S,120.0,A2B21CD6_aP120_2_4i_42i_2i_12i:K-O-Pd-S +mp-28174,Pd(SCl3)2,-3.4279599078,-0.7008486296,0.0,-0.0092654434,GGA,P-1,A6BC2_aP9_2_3i_a_i:Cl-Pd-S,9.0,"Invalid WP multiplicities - A6BC2_aP9_2_4i_a_i:Cl-Pd-S, expected Pd(SCl4)2 to be Pd(SCl3)2" +mp-1203991,K2Pd(S4O13)2,-6.3030125595,-1.7325751235,0.0016060132,0.0016060132,GGA,P-1,A2B26CD8_aP37_2_i_13i_a_4i:K-O-Pd-S,37.0,A2B26CD8_aP37_2_i_13i_a_4i:K-O-Pd-S +mp-555741,RbAu(SO4)2,-6.0243354825,-1.6826000245,0.0,-0.0553841713,GGA,P-1,AB8CD2_aP12_2_b_4i_c_i:Au-O-Rb-S,12.0,"Invalid WP multiplicities - AB8CD2_aP12_2_b_5i_c_i:Au-O-Rb-S, expected RbAu(SO5)2 to be RbAu(SO4)2" +mp-1200298,RbAuC4S4(OF)12,-5.860347894,-1.7423217276,0.2084341047,0.2084341047,GGA,P2_1/c,AB4C12D12EF4_mP136_14_e_4e_12e_12e_e_4e:Au-C-F-O-Rb-S,136.0,AB4C12D12EF4_mP136_14_e_4e_12e_12e_e_4e:Au-C-F-O-Rb-S +mp-560021,AuS3(O3F)3,-5.7690925725,-1.6479758910000002,0.0,-0.0290123551,GGA,P2_1/c,AB3C9D3_mP64_14_e_3e_9e_3e:Au-F-O-S,64.0,"Invalid WP multiplicities - AB3C9D3_mP64_14_e_10e_35e_9e:Au-F-O-S, expected AuS9(O7F2)5 to be AuS3(O3F)3" +mp-735489,KCaCrH10C6O17,-6.7938490708,-1.6226821877000002,0.0821550517,0.0821550517,GGA+U,P2_1/c,A6BCD10EF17_mP144_14_6e_e_e_10e_e_17e:C-Ca-Cr-H-K-O,144.0,A6BCD10EF17_mP144_14_6e_e_e_10e_e_17e:C-Ca-Cr-H-K-O +mp-1212447,K3CrH3(CO2)6,-6.8693530656,-1.3535658682,0.4007798692,0.4007798692,GGA+U,C2/c,A6BC3D3E12_mC100_15_3f_e_ef_ef_6f:C-Cr-H-K-O,,A6BC3D3E12_mC100_15_3f_e_ef_ef_6f:C-Cr-H-K-O +mp-1189653,KCrH4(C2O5)2,-7.1894593685,-1.6536643845,0.0331497261,0.0331497261,GGA+U,C2/m,A4BC4DE10_mC40_12_j_a_j_d_i2j:C-Cr-H-K-O,40.0,A4BC4DE10_mC40_12_j_a_j_d_i2j:C-Cr-H-K-O +mp-743548,KCr2H(CO)10,-7.5735807053,-0.6751322899000001,0.7322767333,0.7322767333,GGA+U,P-1,A10B2CDE10_aP96_2_20i_4i_bci_2i_20i:C-Cr-H-K-O,96.0,A10B2CDE10_aP96_2_20i_4i_bci_2i_20i:C-Cr-H-K-O +mp-1203292,Na2Co7H16(CO2)16,-6.9300738114,-1.2774768455,0.1214220908,0.1214220908,GGA+U,P-1,A16B7C16D2E32_aP73_2_8i_a3i_8i_i_16i:C-Co-H-Na-O,73.0,A16B7C16D2E32_aP73_2_8i_a3i_8i_i_16i:C-Co-H-Na-O +mp-758128,NaCoH2C3O7,-7.1180419827,-1.5802482231,0.0437719284,0.0437719284,GGA+U,P2_1/c,A3BC2DE7_mP56_14_3e_e_2e_e_7e:C-Co-H-Na-O,56.0,"Invalid WP multiplicities - A3BC2DE7_mP56_14_5e_e_7e_e_27e:C-Co-H-Na-O, expected NaCoH7C5O27 to be NaCoH2C3O7" +mp-1203350,Na2CoH4(CO2)4,-6.6102064908,-1.3569199528,0.1632971334,0.1632971334,GGA+U,C2/c,A4BC4D2E8_mC76_15_2f_c_2f_f_4f:C-Co-H-Na-O,38.0,A4BC4D2E8_mC76_15_2f_a_2f_f_4f:C-Co-H-Na-O +mp-735556,Na2CoH8(CO5)2,-6.128729627,-1.5713646339,0.0095004761,0.0095004761,GGA+U,C2/c,A2BC8D2E10_mC92_15_f_e_4f_f_5f:C-Co-H-Na-O,46.0,A2BC8D2E10_mC92_15_f_e_4f_f_5f:C-Co-H-Na-O +mp-1201788,Na2U2CoH8(C3O7)4,-7.569190423,-1.7441099214,0.0993924237,0.0993924237,GGA+U,P-1,A12BC8D2E28F2_aP53_2_6i_a_4i_i_14i_i:C-Co-H-Na-O-U,53.0,A12BC8D2E28F2_aP53_2_6i_a_4i_i_14i_i:C-Co-H-Na-O-U +mp-1221138,NaCoH3(CO2)3,-6.7778619354,-1.351065509,0.1164359525,0.1164359525,GGA+U,C2,A3BC3DE6_mC56_5_ab2c_c_ab2c_c_6c:C-Co-H-Na-O,28.0,"Invalid WP multiplicities - A3BC3DE6_mC56_5_ab4c_c_ab4c_c_12c:C-Co-H-Na-O, expected NaCoH5C5O12 to be NaCoH3(CO2)3" +mp-707366,NdH12C2N7O13,-6.3897628715,-1.0583169093,0.2550325867,0.2550325867,GGA,P2_1/c,A2B12C7DE13_mP140_14_2e_12e_7e_e_13e:C-H-N-Nd-O,140.0,A2B12C7DE13_mP140_14_2e_12e_7e_e_13e:C-H-N-Nd-O +mp-1221003,NdAgH18C20(NO2)6,-6.9238395351,-0.6717306354,0.2232449271,0.2232449271,GGA,P-1,AB20C18D6EF12_aP116_2_i_20i_18i_6i_i_12i:Ag-C-H-N-Nd-O,116.0,AB20C18D6EF12_aP116_2_i_20i_18i_6i_i_12i:Ag-C-H-N-Nd-O +mp-1204019,NdAgH10C20(N3O4)2,-7.4298685463,-0.5669608729,0.2162213073,0.2162213073,GGA,C2/c,AB20C10D6EF8_mC184_15_e_10f_5f_3f_e_4f:Ag-C-H-N-Nd-O,92.0,AB20C10D6EF8_mC184_15_e_10f_5f_3f_e_4f:Ag-C-H-N-Nd-O +mp-1197778,Nd2H12C7N2O17,-7.0408802753,-1.6504711804,0.0178562671,0.0178562671,GGA,P-1,A7B12C2D2E17_aP80_2_7i_12i_2i_2i_17i:C-H-N-Nd-O,80.0,A7B12C2D2E17_aP80_2_7i_12i_2i_2i_17i:C-H-N-Nd-O +mp-1200221,Nd2H22C10(N2O7)3,-6.7741335864,-1.3583572706,0.0421729622,0.0421729622,GGA,C2/c,A10B22C6D2E21_mC244_15_5f_11f_3f_f_e10f:C-H-N-Nd-O,122.0,A10B22C6D2E21_mC244_15_5f_11f_3f_f_e10f:C-H-N-Nd-O +mp-1199409,Si2BPH28C9,-5.0998701009,-0.1974884173,0.0594223535,0.0594223535,GGA,P2_1/c,AB9C28DE2_mP164_14_e_9e_28e_e_2e:B-C-H-P-Si,164.0,AB9C28DE2_mP164_14_e_9e_28e_e_2e:B-C-H-P-Si +mp-1205289,RbSi2BP(H3C)9,-5.0485137928,-0.2049660597,0.0703455452,0.0703455452,GGA,P2_1/c,AB9C27DEF2_mP328_14_2e_18e_54e_2e_2e_4e:B-C-H-P-Rb-Si,328.0,AB9C27DEF2_mP328_14_2e_18e_54e_2e_2e_4e:B-C-H-P-Rb-Si +mp-1200370,MgB6H28(C2O)2,-4.7275185352,-0.2523722102,0.2280899525,0.2280899525,GGA,Pca2_1,A6B4C28DE2_oP164_29_6a_4a_28a_a_2a:B-C-H-Mg-O,164.0,A6B4C28DE2_oP164_29_6a_4a_28a_a_2a:B-C-H-Mg-O +mp-1038482,Mg30BCO32,-6.3121161792,-2.8400771554,0.16492875,0.16492875,GGA,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-C-Mg-O, expected Mg90BCO80 to be Mg30BCO32" +mp-1038423,Mg30BCO32,-6.2413066997,-2.7692676759,0.2357382295,0.2357382295,GGA,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-C-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-C-Mg-O, expected Mg110BCO72 to be Mg30BCO32" +mp-1228648,Ca24Mg8B16C8O73,-7.6784677212,-3.0060296924,0.0168113748,0.0168113748,GGA,C222,A16B8C24D8E73_oC258_21_4l_2l_efghij2k2l_2l_a18l:B-C-Ca-Mg-O,129.0,"Invalid WP multiplicities - A16B8C24D8E73_oC258_21_16l_8l_2e2f2g2h2i2j4k4l_6l_a72l:B-C-Ca-Mg-O, expected Ca48Mg24B64C32O289 to be Ca24Mg8B16C8O73" +mp-1193253,Ca4MgB4(CO9)2,-7.4299265483,-2.4699963951,0.1848638696,0.1848638696,GGA,C2/m,A4B2C4DE18_mC58_12_hi_i_j_a_3i3j:B-C-Ca-Mg-O,29.0,A4B2C4DE18_mC58_12_hi_i_j_a_3i3j:B-C-Ca-Mg-O +mp-1033731,Mg14BCO16,-6.2987824513,-2.6281887843,0.3277827272,0.3277827272,GGA,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-C-Mg-O, expected Mg18BCO20 to be Mg14BCO16" +mp-1033845,Mg14BCO16,-6.198120365,-2.527526698,0.4284448134,0.4284448134,GGA,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-C-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-C-Mg-O, expected Mg30BCO32 to be Mg14BCO16" +mp-697563,Ca4MgB4H6(CO9)2,-7.1767010871,-2.4854344954,0.0476334609,0.0476334609,GGA,C2/m,A4B2C4D6EF18_mC70_12_hi_i_j_ij_a_3i3j:B-C-Ca-H-Mg-O,35.0,A4B2C4D6EF18_mC70_12_hi_i_j_ij_a_3i3j:B-C-Ca-H-Mg-O +mp-1033291,Mg6BCO8,-6.27172067,-2.2040177167,0.6538850068000001,0.6538850068000001,GGA,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-C-Mg-O, expected Mg6BCO12 to be Mg6BCO8" +mp-1033312,Mg6BCO8,-6.0446763406,-1.9769733873,0.8809293362,0.8809293362,GGA,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-C-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-C-Mg-O, expected Mg6BCO12 to be Mg6BCO8" +mp-707983,Ca2MgB2H16(CO9)2,-6.3010147752,-1.8924389738,0.0238062571,0.0238062571,GGA,P2_1/c,A2B2C2D16EF18_mP82_14_e_e_e_8e_a_9e:B-C-Ca-H-Mg-O,82.0,A2B2C2D16EF18_mP82_14_e_e_e_8e_a_9e:B-C-Ca-H-Mg-O +mp-2218827,Na2MgV2(OF)4,-6.6444871508,-2.8101938052,0.1331415102,0.1331415102,GGA+U,Pm,A4BC2D4E2_mP13_6_2a2b_a_ab_2a2b_ab:F-Mg-Na-O-V,13.0,A4BC2D4E2_mP13_6_2a2b_a_ab_2a2b_ab:F-Mg-Na-O-V +mp-2218926,Na2MgV2(OF)4,-6.6487303592,-2.8144370137,0.1288983017,0.1288983017,GGA+U,Pm,A4BC2D4E2_mP13_6_2a2b_a_ab_2a2b_ab:F-Mg-Na-O-V,13.0,A4BC2D4E2_mP13_6_2a2b_a_ab_2a2b_ab:F-Mg-Na-O-V +mp-39843,K2NaVOF5,-5.7461583535,-3.0330270729,0.0,-0.030639545,GGA+U,I4mm,A5B2CDE_tI20_107_ac_b_a_a_a:F-K-Na-O-V,40.0,A5B2CDE_tI20_107_ac_b_a_a_a:F-K-Na-O-V +mp-1210449,Na2MgVF7,-5.7644708277,-3.3363263296,0.0,-0.0036842445,GGA+U,Imma,A7BC2D_oI44_74_ehj_c_ad_b:F-Mg-Na-V,22.0,"Invalid WP multiplicities - A7BC2D_oI44_74_2e2hj_c_ad_b:F-Mg-Na-V, expected Na2MgVF10 to be Na2MgVF7" +mp-1080537,K2NaVF6,-5.580629803,-3.1710194968,0.0,-0.0583654711,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Na-V,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Na-V +mp-2240744,K2NaMgVOF5,-5.3702675655,-2.7583045785,0.3106774755,0.3106774755,GGA+U,Cm,A5B2CDEF_mC22_8_3ab_b_a_a_a_a:F-K-Mg-Na-O-V,11.0,"Invalid WP multiplicities - A5B2CDEF_mC22_8_3a2b_b_a_a_a_a:F-K-Mg-Na-O-V, expected K2NaMgVOF7 to be K2NaMgVOF5" +mp-2241208,K2NaMgVOF5,-5.4538520464,-2.8418890594,0.2270929946,0.2270929946,GGA+U,Cm,A5B2CDEF_mC22_8_a2b_2a_a_a_a_a:F-K-Mg-Na-O-V,11.0,A5B2CDEF_mC22_8_a2b_2a_a_a_a_a:F-K-Mg-Na-O-V +mp-2240035,K2NaMgVOF5,-5.27208087,-2.6601178831,0.4088641709,0.4088641709,GGA+U,Imm2,A5B2CDEF_oI22_44_ae_2b_b_a_a_a:F-K-Mg-Na-O-V,11.0,A5B2CDEF_oI22_44_ae_2b_b_a_a_a:F-K-Mg-Na-O-V +mp-1211113,MnPNO5,-7.7912313075,-1.8355742725,0.1335716819,0.1335716819,GGA+U,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:Mn-N-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:Mn-N-O-P +mp-1204413,Mn3P4H12(NO8)2,-6.8753091847,-1.857147626,0.0,-0.0048601669,GGA+U,P2_1/c,A12B3C2D16E4_mP74_14_6e_ae_e_8e_2e:H-Mn-N-O-P,74.0,A12B3C2D16E4_mP74_14_6e_ae_e_8e_2e:H-Mn-N-O-P +mp-1200042,MnGa2P3H4NO14,-6.808179126,-1.9034128892,0.2473028284,0.2473028284,GGA+U,C2/c,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-Mn-N-O-P,50.0,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-Mn-N-O-P +mp-1210751,MnP3NO9,-7.5129692193,-1.9230680665,0.4123077656,0.4123077656,GGA+U,P-6c2,ABC9D3_hP28_188_a_c_kl_k:Mn-N-O-P,28.0,ABC9D3_hP28_188_a_c_kl_k:Mn-N-O-P +mp-559466,MnP3H12NO7,-5.7691203343,-1.2242056986,0.0536898894,0.0536898894,GGA+U,P2_1/c,A12BCD7E3_mP96_14_12e_e_e_7e_3e:H-Mn-N-O-P,96.0,"Invalid WP multiplicities - A12BCD7E3_mP96_14_47e_e_e_22e_8e:H-Mn-N-O-P, expected MnP8H47NO22 to be MnP3H12NO7" +mp-732315,MnPH6NO5,-6.4447048763,-1.587446837,0.000747465,0.000747465,GGA+U,Pmn2_1,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-Mn-N-O-P,56.0,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-Mn-N-O-P +mp-1195120,MnPH6NO5,-6.4429968004,-1.5857387611,0.0024555409,0.0024555409,GGA+U,Pnma,A6BCD5E_oP56_62_2c2d_c_c_3cd_c:H-Mn-N-O-P,56.0,A6BCD5E_oP56_62_2c2d_c_c_3cd_c:H-Mn-N-O-P +mp-1211766,MnP3H6NO7,-6.4182933911,-1.4893158919,0.1883161164,0.1883161164,GGA+U,P2_1/c,A6BCD7E3_mP72_14_6e_e_e_7e_3e:H-Mn-N-O-P,72.0,A6BCD7E3_mP72_14_6e_e_e_7e_3e:H-Mn-N-O-P +mp-1181262,MnP4(NO6)2,-7.3277366914,-1.7041324965,0.5032996837,0.5032996837,GGA+U,P2_1/c,AB2C12D4_mP76_14_e_2e_12e_4e:Mn-N-O-P,76.0,AB2C12D4_mP76_14_e_2e_12e_4e:Mn-N-O-P +mp-774928,Mn2P2H7NO10,-6.8332673966,-1.801308308,0.0537293394,0.0537293394,GGA+U,P2_12_12_1,A7B2CD10E2_oP88_19_7a_2a_a_10a_2a:H-Mn-N-O-P,88.0,"Invalid WP multiplicities - A7B2CD10E2_oP88_19_25a_5a_a_37a_5a:H-Mn-N-O-P, expected Mn5P5H25NO37 to be Mn2P2H7NO10" +mp-727750,Mn4P3NO12,-8.1145232696,-2.0852868622,0.3080536081,0.3080536081,GGA+U,Pnnm,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Mn-N-O-P,80.0,A4BC12D3_oP80_58_2gh_g_6g3h_3g:Mn-N-O-P +mp-510246,MnP4H16(NO8)2,-6.3502098721,-1.7112649677,0.0,-0.0007728491,GGA+U,P-1,A16BC2D16E4_aP39_2_8i_a_i_8i_2i:H-Mn-N-O-P,39.0,A16BC2D16E4_aP39_2_8i_a_i_8i_2i:H-Mn-N-O-P +mp-1106075,KAuC2N2Cl2O,-5.4917560817,-0.1408267691,0.7825542623,0.7825542623,GGA,C2/c,AB2C2DE2F_mC36_15_c_f_f_e_f_a:Au-C-Cl-K-N-O,18.0,AB2C2DE2F_mC36_15_a_f_f_e_f_c:Au-C-Cl-K-N-O +mp-555085,KAu(NO3)4,-6.3238444967,-0.929926431,0.0,-0.049578208,GGA,P2_1/c,ABC4D12_mP36_14_a_d_2e_6e:Au-K-N-O,36.0,"Invalid WP multiplicities - ABC4D12_mP36_14_a_d_4e_23e:Au-K-N-O, expected KAu(N4O23)2 to be KAu(NO3)4" +mp-1217481,Tl4P4N4O9,-6.4239092595,-1.2348635112,0.4630297738,0.4630297738,GGA,P1,A4B9C4D4_aP42_1_8a_18a_8a_8a:N-O-P-Tl,42.0,A4B9C4D4_aP42_1_8a_18a_8a_8a:N-O-P-Tl +mp-1197775,Na3P3H5N3O7,-6.3358132743,-1.725936161,0.0274600632,0.0274600632,GGA,C2,A5B3C3D7E3_mC84_5_5c_3c_2a2c_2b6c_3c:H-N-Na-O-P,42.0,A5B3C3D7E3_mC84_5_5c_3c_2a2c_2b6c_3c:H-N-Na-O-P +mp-758453,Na2P2H4N2O5,-6.2671001742,-1.7038339617,0.0349725524,0.0349725524,GGA,C2/c,A4B2C2D5E2_mC120_15_4f_2f_2f_5f_2f:H-N-Na-O-P,60.0,"Invalid WP multiplicities - A4B2C2D5E2_mC120_15_13f_5f_5f_17f_5f:H-N-Na-O-P, expected Na5P5H13N5O17 to be Na2P2H4N2O5" +mp-696189,TlH6(NO4)3,-5.8756995466,-1.0080291499,0.0,-0.0025500722,GGA,R-3,A6B3C12D_hR132_148_2f_f_4f_c:H-N-O-Tl,44.0,A6B3C12D_hR132_148_2f_f_4f_c:H-N-O-Tl +mp-1221322,Na4P4H10N4O11,-6.1609215347,-1.656978287,0.0632595053,0.0632595053,GGA,P-1,A10B4C4D11E4_aP66_2_10i_4i_4i_11i_4i:H-N-Na-O-P,66.0,A10B4C4D11E4_aP66_2_10i_4i_4i_11i_4i:H-N-Na-O-P +mp-1197622,Na2TlP3H7N3O8,-6.1552442931,-1.5894243751,0.0579999993,0.0579999993,GGA,P-1,A7B3C2D8E3F_aP48_2_7i_3i_2i_8i_3i_i:H-N-Na-O-P-Tl,48.0,A7B3C2D8E3F_aP48_2_7i_3i_2i_8i_3i_i:H-N-Na-O-P-Tl +mp-632684,NaPH3NO3,-6.1592713011,-1.7047638573,0.0,-0.0141188532,GGA,P6_3,A3BCD3E_hP18_173_c_b_a_c_b:H-N-Na-O-P,18.0,A3BCD3E_hP18_173_c_b_a_c_b:H-N-Na-O-P +mp-1217308,TlP3(NO6)2,-6.6108978108,-1.3533530857,0.454250889,0.454250889,GGA,I-42d,A2B12C3D_tI72_122_c_3e_ac_b:N-O-P-Tl,36.0,"Invalid WP multiplicities - A2B12C3D_tI72_122_c_20e_2ac_b:N-O-P-Tl, expected TlP4(NO40)2 to be TlP3(NO6)2" +mp-1200350,NaP3H24(N2O7)2,-5.7815095982,-1.3991730862,0.0139903185,0.0139903185,GGA,C2/c,A24B4CD14E3_mC184_15_12f_2f_a_7f_ef:H-N-Na-O-P,92.0,A24B4CD14E3_mC184_15_12f_2f_c_7f_ef:H-N-Na-O-P +mp-740736,NaP3H10(NO5)2,-6.2184645045,-1.6942502651,0.0193059947,0.0193059947,GGA,P2_1/c,A10B2CD10E3_mP104_14_10e_2e_e_10e_3e:H-N-Na-O-P,104.0,A10B2CD10E3_mP104_14_10e_2e_e_10e_3e:H-N-Na-O-P +mp-24764,AlH36C12S6(ClO2)3,-5.1183035869,-0.4828013867,0.1852373359,0.1852373359,GGA,R-3,AB12C3D36E6F6_hR192_148_a_2f_bc_6f_f_f:Al-C-Cl-H-O-S,64.0,"Invalid WP multiplicities - AB12C3D36E6F6_hR192_148_a_2f_bc_12f_f_f:Al-C-Cl-H-O-S, expected AlH72C12S6(ClO2)3 to be AlH36C12S6(ClO2)3" +mp-1201938,AlH21C3(SO5)3,-5.6387815181,-1.2367233897,0.1196062397,0.1196062397,GGA,P2_1/c,AB3C21D15E3_mP172_14_e_3e_21e_15e_3e:Al-C-H-O-S,172.0,AB3C21D15E3_mP172_14_e_3e_21e_15e_3e:Al-C-H-O-S +mp-1198123,AlH7C2SCl4,-4.6542125978,-0.822040222,0.0,-0.0328230718,GGA,P2_1/c,AB2C4D7E_mP120_14_2e_4e_8e_14e_2e:Al-C-Cl-H-S,120.0,AB2C4D7E_mP120_14_2e_4e_8e_14e_2e:Al-C-Cl-H-S +mp-728484,NiB12(H3O)12,-4.6868294066,-0.3027107167,0.662110065,0.662110065,GGA+U,F4_132,A12B36CD12_cF488_210_h_3h_a_fg:B-H-Ni-O,122.0,A12B36CD12_cF488_210_h_3h_a_fg:B-H-Ni-O +mp-1211194,NaNiBP2O11,-6.6263983726,-1.6875087113,0.3625788678,0.3625788678,GGA+U,P6_122,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Na-Ni-O-P,96.0,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Na-Ni-O-P +mp-695976,NiB6(H8O9)2,-6.4489393968,-1.8347808401,0.0318784316,0.0318784316,GGA+U,P2_1/c,A6B16CD18_mP164_14_6e_16e_e_18e:B-H-Ni-O,164.0,A6B16CD18_mP164_14_6e_16e_e_18e:B-H-Ni-O +mp-1205268,Na6Ni3B9P6H3O38,-7.2268034239,-2.3649226248,0.0755064112,0.0755064112,GGA+U,P6_3,A9B3C6D3E38F6_hP130_173_3c_c_a2bc_c_ab12c_2c:B-H-Na-Ni-O-P,130.0,A9B3C6D3E38F6_hP130_173_3c_c_a2bc_c_ab12c_2c:B-H-Na-Ni-O-P +mp-1198697,NiB10(H13O4)2,-5.1416301284,-0.6892203229,0.2137416823,0.2137416823,GGA+U,C2/c,A10B26CD8_mC180_15_5f_13f_c_4f:B-H-Ni-O,90.0,A10B26CD8_mC180_15_5f_13f_a_4f:B-H-Ni-O +mp-768540,Na3NiBPO7,-6.6299775023,-2.2863445933,0.0230084351,0.0230084351,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:B-Na-Ni-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_2ef_e_9e2f_e:B-Na-Ni-O-P, expected Na4NiBPO13 to be Na3NiBPO7" +mp-720901,Na3H6S2NO10,-5.6534617389,-1.5443611061,0.1587299016,0.1587299016,GGA,Cmc2_1,A6BC3D10E2_oC88_36_2a2b_a_ab_2a4b_b:H-N-Na-O-S,44.0,A6BC3D10E2_oC88_36_2a2b_a_ab_2a4b_b:H-N-Na-O-S +mp-1195704,CaH2S2N2O9,-5.8293518388,-0.9382805916,0.8098449860000001,0.8098449860000001,GGA,P2_1/m,AB2C2D9E2_mP32_11_e_f_f_5e2f_2e:Ca-H-N-O-S,32.0,AB2C2D9E2_mP32_11_e_f_f_5e2f_2e:Ca-H-N-O-S +mp-758221,CaH12S2(NO5)2,-5.746206363,-1.4080178772,0.074981074,0.074981074,GGA,C2/c,AB12C2D10E2_mC108_15_e_6f_f_5f_f:Ca-H-N-O-S,54.0,"Invalid WP multiplicities - AB12C2D10E2_mC108_15_e_17f_f_15f_f:Ca-H-N-O-S, expected CaH34S2(NO15)2 to be CaH12S2(NO5)2" +mp-1210467,Na3H2SNO8,-5.9295933143,-1.7429611509,0.0015404588,0.0015404588,GGA,P2_1/m,A2BC3D8E_mP30_11_2e_e_ef_6ef_e:H-N-Na-O-S,30.0,A2BC3D8E_mP30_11_2e_e_ef_6ef_e:H-N-Na-O-S +mp-1173840,NaCaH6S2NO9,-5.9562945781,-1.715590853,0.0734035497,0.0734035497,GGA,Pc,AB6CDE9F2_mP80_7_2a_12a_2a_2a_18a_4a:Ca-H-N-Na-O-S,80.0,"Invalid WP multiplicities - AB6CDE9F2_mP80_7_2a_22a_2a_2a_36a_6a:Ca-H-N-Na-O-S, expected NaCaH11S3NO18 to be NaCaH6S2NO9" +mp-540714,NaH8SNO6,-5.5369142616,-1.3829489256,0.0051165577,0.0051165577,GGA,P2_12_12_1,A8BCD6E_oP68_19_8a_a_a_6a_a:H-N-Na-O-S,68.0,A8BCD6E_oP68_19_8a_a_a_6a_a:H-N-Na-O-S +mp-1201618,Na2HSNO3,-5.7287442083,-1.5598957636000002,0.0772995226,0.0772995226,GGA,Pccn,ABC2D3E_oP64_56_e_e_2e_3e_e:H-N-Na-O-S,64.0,ABC2D3E_oP64_56_e_e_2e_3e_e:H-N-Na-O-S +mp-1180298,NaH2SNO3,-5.1263130337,-0.6986894951,0.7857462813,0.7857462813,GGA,P2_12_12_1,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S,96.0,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S +mp-1182445,NaH2SNO3,-5.7030634708,-1.2754399322,0.2089958442,0.2089958442,GGA,P2_12_12_1,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S,96.0,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S +mp-1204847,NaH2SNO3,-5.8486337588,-1.4210102201,0.0634255563,0.0634255563,GGA,P2_12_12_1,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S,96.0,A2BCD3E_oP96_19_6a_3a_3a_9a_3a:H-N-Na-O-S +mp-1214981,AlP2CN3O10,-6.4807684266,-0.69975559,1.3413322515,1.3413322515,GGA,Pnma,ABC3D10E2_oP68_62_a_c_cd_5d_d:Al-C-N-O-P,68.0,ABC3D10E2_oP68_62_a_c_cd_5d_d:Al-C-N-O-P +mp-1196097,P2C31N3O5,-7.5096628644,0.9454142969,1.3619601765,1.3619601765,GGA,P-1,A31B3C5D2_aP82_2_31i_3i_5i_2i:C-N-O-P,82.0,A31B3C5D2_aP82_2_31i_3i_5i_2i:C-N-O-P +mp-1229312,Al3P3C4NO13,-7.7593147305,-2.0495336826,0.4023494092,0.4023494092,GGA,P2_1/c,A3B4CD13E3_mP96_14_3e_4e_e_13e_3e:Al-C-N-O-P,96.0,A3B4CD13E3_mP96_14_3e_4e_e_13e_3e:Al-C-N-O-P +mp-1204101,Al3P3C4NO13,-7.6964206034,-1.9866395555,0.4652435363,0.4652435363,GGA,P2_12_12,A3B4CD13E3_oP96_18_3c_4c_ab_ab12c_3c:Al-C-N-O-P,96.0,A3B4CD13E3_oP96_18_3c_4c_ab_ab12c_3c:Al-C-N-O-P +mp-1202387,CoPN5O6,-7.1026864421,-0.650053581,0.5019027543,0.5019027543,GGA+U,P2_1/c,AB5C6D_mP52_14_e_5e_6e_e:Co-N-O-P,52.0,AB5C6D_mP52_14_e_5e_6e_e:Co-N-O-P +mp-1179967,PC2NO4,-7.618682426899999,-1.1194470192,0.4458610282,0.4458610282,GGA,P2_1/c,A2BC4D_mP32_14_2e_e_4e_e:C-N-O-P,32.0,A2BC4D_mP32_14_2e_e_4e_e:C-N-O-P +mp-1213809,Co2P2NO8,-7.1290958877,-1.5173077940000002,0.469468704,0.469468704,GGA+U,C2/c,A2BC8D2_mC104_15_2f_f_8f_2f:Co-N-O-P,52.0,A2BC8D2_mC104_15_2f_f_8f_2f:Co-N-O-P +mp-1181944,CoPNO10,-5.402210475,0.0074050896,1.1514133441,1.1514133441,GGA+U,P1,ABC10D_aP26_1_2a_2a_20a_2a:Co-N-O-P,26.0,ABC10D_aP26_1_2a_2a_20a_2a:Co-N-O-P +mp-1193391,CoPNO10,-5.6234802219,-0.2138646574,0.9301435972,0.9301435972,GGA+U,Pmn2_1,ABC10D_oP26_31_a_a_4a3b_a:Co-N-O-P,26.0,ABC10D_oP26_31_a_a_4a3b_a:Co-N-O-P +mp-1214243,CoPNO10,-5.9126671627,-0.5030515981,0.6409566564,0.6409566564,GGA+U,Pmn2_1,ABC10D_oP26_31_a_a_4a3b_a:Co-N-O-P,26.0,ABC10D_oP26_31_a_a_4a3b_a:Co-N-O-P +mp-727116,AlP3C3NO9,-7.460861105,-1.5474391548000002,0.6262639374,0.6262639374,GGA,P2_1/c,AB3CD9E3_mP68_14_e_3e_e_9e_3e:Al-C-N-O-P,68.0,AB3CD9E3_mP68_14_e_3e_e_9e_3e:Al-C-N-O-P +mp-1204067,Al2CoP3NO14,-7.0942604443,-1.9309502606,0.5635057225,0.5635057225,GGA+U,C2/c,A2BCD14E3_mC84_15_f_e_e_7f_ef:Al-Co-N-O-P,42.0,A2BCD14E3_mC84_15_f_e_e_7f_ef:Al-Co-N-O-P +mp-817993,CoPNO5,-6.4053590694,-0.7064142215,1.0366782533,1.0366782533,GGA+U,Pmn2_1,ABC5D_oP16_31_a_a_3ab_a:Co-N-O-P,16.0,ABC5D_oP16_31_a_a_3ab_a:Co-N-O-P +mp-1182419,CoP6(N2O11)2,-6.6677498265,-1.1598327301,0.7242838123,0.7242838123,GGA+U,P2_1/c,AB4C22D6_mP66_14_a_2e_11e_3e:Co-N-O-P,66.0,AB4C22D6_mP66_14_a_2e_11e_3e:Co-N-O-P +mp-1196580,AlCoP2C2(NO4)2,-7.7785668519,-1.7545462792,0.2746694664,0.2746694664,GGA+U,P2_1/c,AB2CD2E8F2_mP64_14_e_2e_e_2e_8e_2e:Al-C-Co-N-O-P,64.0,AB2CD2E8F2_mP64_14_e_2e_e_2e_8e_2e:Al-C-Co-N-O-P +mp-1229214,AlCoP2NO8,-7.338741888699999,-1.9856262538,0.4493768432,0.4493768432,GGA+U,P1,ABCD8E2_aP52_1_4a_4a_4a_32a_8a:Al-Co-N-O-P,52.0,ABCD8E2_aP52_1_4a_4a_4a_32a_8a:Al-Co-N-O-P +mp-863002,CoP3NO9,-7.2297723934,-1.786563919,0.3984684318,0.3984684318,GGA+U,Pbcm,ABC9D3_oP56_57_a_d_d4e_ce:Co-N-O-P,56.0,ABC9D3_oP56_57_a_d_d4e_ce:Co-N-O-P +mp-1200387,NaFePH2(CO3)2,-7.0863100938,-1.6917897590000002,0.1155525334,0.1155525334,GGA+U,Pbca,A2BC2DE6F_oP104_61_2c_c_2c_c_6c_c:C-Fe-H-Na-O-P,104.0,A2BC2DE6F_oP104_61_2c_c_2c_c_6c_c:C-Fe-H-Na-O-P +mp-1229091,Fe2P2H6C2O13,-6.7344575,-1.4989659826,0.3292565539,0.3292565539,GGA+U,P2_1,A2B2C6D13E2_mP50_4_2a_2a_6a_13a_2a:C-Fe-H-O-P,50.0,A2B2C6D13E2_mP50_4_2a_2a_6a_13a_2a:C-Fe-H-O-P +mp-1238703,Fe2P2H6C2O13,-6.676339033,-1.4408475156,0.3873750209,0.3873750209,GGA+U,P2_1,A2B2C6D13E2_mP50_4_2a_2a_6a_13a_2a:C-Fe-H-O-P,50.0,A2B2C6D13E2_mP50_4_2a_2a_6a_13a_2a:C-Fe-H-O-P +mp-510517,Fe2PH2CO7,-7.4935675498,-1.8786226661,0.0122227149,0.0122227149,GGA+U,P2_1/c,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-Fe-H-O-P,52.0,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-Fe-H-O-P +mp-1182554,Fe2PH2CO7,-7.3750826181,-1.7601377344,0.1307076466,0.1307076466,GGA+U,P2_1/c,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-Fe-H-O-P,52.0,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-Fe-H-O-P +mp-656859,FePH5CO8,-6.140465733,-1.1623951627,0.5892736945,0.5892736945,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,"Invalid WP multiplicities - ABC5D8E_mP64_14_e_e_20e_26e_e:C-Fe-H-O-P, expected FePH20CO26 to be FePH5CO8" +mp-1182417,FePH5CO8,-6.2213393034,-1.2432687332,0.5084001241,0.5084001241,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,"Invalid WP multiplicities - ABC5D8E_mP64_14_e_e_20e_26e_e:C-Fe-H-O-P, expected FePH20CO26 to be FePH5CO8" +mp-1182614,FePH5CO8,-6.2772225736,-1.2991520033,0.4525168539,0.4525168539,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,"Invalid WP multiplicities - ABC5D8E_mP64_14_e_e_20e_26e_e:C-Fe-H-O-P, expected FePH20CO26 to be FePH5CO8" +mp-1182735,FePH5CO8,-6.6835195205,-1.7054489502,0.046219907,0.046219907,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,"Invalid WP multiplicities - ABC5D8E_mP64_14_e_e_20e_26e_e:C-Fe-H-O-P, expected FePH20CO26 to be FePH5CO8" +mp-1237189,FePH5CO8,-6.6876149094,-1.7095443391,0.0421245181,0.0421245181,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P +mp-655003,FePH5CO8,-6.0751650105,-1.0970944402,0.6545744170000001,0.6545744170000001,GGA+U,P2_1/c,ABC5D8E_mP64_14_e_e_5e_8e_e:C-Fe-H-O-P,64.0,"Invalid WP multiplicities - ABC5D8E_mP64_14_e_e_20e_26e_e:C-Fe-H-O-P, expected FePH20CO26 to be FePH5CO8" +mp-1278612,FePH5CO4,-6.272098125,-1.2835669351,0.0725207684,0.0725207684,GGA+U,P1,ABC5D4E_aP48_1_4a_4a_20a_16a_4a:C-Fe-H-O-P,48.0,ABC5D4E_oP24_31_a_a_a2b_2ab_a:C-Fe-H-O-P +mp-1273841,FePH5CO4,-6.3155777925,-1.3270466026,0.0290411009,0.0290411009,GGA+U,P2_1,ABC5D4E_mP24_4_a_a_5a_4a_a:C-Fe-H-O-P,24.0,"Invalid WP multiplicities - ABC5D4E_mP24_4_a_a_10a_7a_a:C-Fe-H-O-P, expected FePH10CO7 to be FePH5CO4" +mp-1274499,FePH5CO4,-6.3162456379,-1.327714448,0.0283732555,0.0283732555,GGA+U,Pc,ABC5D4E_mP48_7_2a_2a_10a_8a_2a:C-Fe-H-O-P,48.0,"Invalid WP multiplicities - ABC5D4E_mP48_7_2a_4a_16a_11a_2a:C-Fe-H-O-P, expected Fe4P2H16C2O11 to be FePH5CO4" +mp-1284492,FePH5CO4,-6.3146050233,-1.3260738334,0.0300138701,0.0300138701,GGA+U,Pc,ABC5D4E_mP24_7_a_a_5a_4a_a:C-Fe-H-O-P,48.0,"Invalid WP multiplicities - ABC5D4E_mP24_7_a_a_7a_4a_a:C-Fe-H-O-P, expected FePH7CO4 to be FePH5CO4" +mp-601268,FePH5CO4,-6.3144268008,-1.3258956109,0.0301920926,0.0301920926,GGA+U,Pmn2_1,ABC5D4E_oP24_31_a_a_a2b_2ab_a:C-Fe-H-O-P,24.0,"Invalid WP multiplicities - ABC5D4E_mP24_7_a_a_7a_4a_a:C-Fe-H-O-P, expected FePH7CO4 to be FePH5CO4" +mp-1196129,Na2Fe3P2H2(C4O9)2,-7.3082981314,-1.3501012154,0.4423198137,0.4423198137,GGA+U,P2_1/c,A8B3C2D2E18F2_mP70_14_4e_ae_e_e_9e_e:C-Fe-H-Na-O-P,70.0,A8B3C2D2E18F2_mP70_14_4e_ae_e_e_9e_e:C-Fe-H-Na-O-P +mp-1201957,Na3FeH10C6O17,-6.5658226874,-1.543375158,0.0721587098,0.0721587098,GGA+U,C2/c,A6BC10D3E17_mC296_15_6f_f_10f_2e2f_17f:C-Fe-H-Na-O,148.0,A6BC10D3E17_mC296_15_6f_f_10f_2e2f_17f:C-Fe-H-Na-O +mp-1212774,FePH3CO7,-7.0248494712,-1.8004657540000002,0.0595757579,0.0595757579,GGA+U,P-1,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-H-O-P,26.0,ABC3D7E_aP26_2_i_i_3i_7i_i:C-Fe-H-O-P +mp-1195804,H10IrC2(ClO)3,-5.0621367187,-0.7669418909,0.1524999079,0.1524999079,GGA,P-1,A2B3C10DE3_aP38_2_2i_3i_10i_i_3i:C-Cl-H-Ir-O,38.0,A2B3C10DE3_aP38_2_2i_3i_10i_i_3i:C-Cl-H-Ir-O +mp-1195210,H18IrC6S3(ClO)3,-5.0804994562,-0.4312488191,0.2359534854,0.2359534854,GGA,P1,A6B3C18DE3F3_aP68_1_12a_6a_36a_2a_6a_6a:C-Cl-H-Ir-O-S,68.0,A6B3C18DE3F3_aP68_1_12a_6a_36a_2a_6a_6a:C-Cl-H-Ir-O-S +mp-604909,Ca4Si2H2CO11,-7.4048240169,-2.9397875676,0.0039881333,0.0039881333,GGA,P2_1/c,AB4C2D11E2_mP160_14_2e_8e_4e_22e_4e:C-Ca-H-O-Si,160.0,"Invalid WP multiplicities - AB4C2D11E2_mP160_14_7e_32e_12e_86e_15e:C-Ca-H-O-Si, expected Ca32Si15H12C7O86 to be Ca4Si2H2CO11" +mp-556661,Y2SiCO7,-8.9485326573,-3.2927375002,0.0,-0.0516461539,GGA,P-1,AB7CD2_aP22_2_i_7i_i_2i:C-O-Si-Y,22.0,"Invalid WP multiplicities - AB7CD2_aP22_2_i_14i_i_4i:C-O-Si-Y, expected Y4SiCO14 to be Y2SiCO7" +mp-1182411,Ca2Y2Si2CO16,-7.0256464213,-1.9747567292,0.6786700497,0.6786700497,GGA,Pnma,AB2C16D2E2_oP92_62_c_d_4c6d_d_d:C-Ca-O-Si-Y,92.0,AB2C16D2E2_oP92_62_c_d_4c6d_d_d:C-Ca-O-Si-Y +mp-1214510,Ca2Y2Si4C3O23,-7.7362588768,-2.4390456137,0.2821342084,0.2821342084,GGA,Cmc2_1,A3B2C23D4E2_oC136_36_ab_b_5a9b_2b_b:C-Ca-O-Si-Y,68.0,A3B2C23D4E2_oC136_36_ab_b_5a9b_2b_b:C-Ca-O-Si-Y +mp-720719,Ca2Y2Si4H2CO16,-8.0910772439,-3.1352790561,0.0059617354,0.0059617354,GGA,Pnma,AB2C2D16E4F2_oP108_62_c_d_2c_4c6d_2d_d:C-Ca-H-O-Si-Y,108.0,AB2C2D16E4F2_oP108_62_c_d_2c_4c6d_2d_d:C-Ca-H-O-Si-Y +mp-1197862,Ca2Y2Si4CO16,-8.2185253911,-3.1376814319,0.1010121405,0.1010121405,GGA,Pnma,AB2C16D4E2_oP100_62_c_d_4c6d_2d_d:C-Ca-O-Si-Y,100.0,AB2C16D4E2_oP100_62_c_d_4c6d_2d_d:C-Ca-O-Si-Y +mp-733443,Ca7Si6H4CO23,-7.4916905888,-3.0242633358,0.0147634909,0.0147634909,GGA,Cm,AB7C4D23E6_mC82_8_a_a3b_4a_5a9b_3b:C-Ca-H-O-Si,41.0,AB7C4D23E6_mC82_8_a_a3b_4a_5a9b_3b:C-Ca-H-O-Si +mp-1216414,VCrCo,-8.641060355,-0.02596991,0.0978972424,0.0978972424,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Co-Cr-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Co-Cr-V, expected V3(CrCo)2 to be VCrCo" +mp-774885,V3CrCo2(PO4)6,-8.0740315117,-2.4539830289,0.0662127849,0.0662127849,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Co-Cr-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Co-Cr-O-P-V, expected V3CrCo2(PO10)6 to be V3CrCo2(PO4)6" +mp-771298,Li4V3Cr2Co(PO4)6,-7.8431692345,-2.5306150715,0.0827715498,0.0827715498,GGA+U,P1,AB2C4D24E6F3_aP40_1_a_2a_4a_24a_6a_3a:Co-Cr-Li-O-P-V,40.0,AB2C4D24E6F3_aP40_1_a_2a_4a_24a_6a_3a:Co-Cr-Li-O-P-V +mp-755778,V4CrCoO12,-8.4579373067,-2.21031208,0.0605232856,0.0605232856,GGA+U,C2,ABC12D4_mC36_5_a_b_6c_2c:Co-Cr-O-V,18.0,"Invalid WP multiplicities - ABC12D4_mC36_5_a_b_12c_4c:Co-Cr-O-V, expected V8CrCoO24 to be V4CrCoO12" +mp-753635,Li4V2Cr3Co3O16,-7.5493420346,-2.0052485067,0.1307074673,0.1307074673,GGA+U,Cm,A3B3C4D16E2_mC56_8_ab_ab_4a_8a4b_2a:Co-Cr-Li-O-V,28.0,"Invalid WP multiplicities - A3B3C4D16E2_mC56_8_ab_ab_4a_8a6b_2a:Co-Cr-Li-O-V, expected Li4V2Cr3Co3O20 to be Li4V2Cr3Co3O16" +mp-1204176,In2Sb2H16C4S7N2,-4.96860844,-0.4053421507,0.0307903126,0.0307903126,GGA,C2/c,A4B16C2D2E7F2_mC132_15_2f_8f_f_f_e3f_f:C-H-In-N-S-Sb,66.0,A4B16C2D2E7F2_mC132_15_2f_8f_f_f_e3f_f:C-H-In-N-S-Sb +mp-736261,Sb4H8C2S7N,-4.9102107307,-0.3917203535,0.0399574173,0.0399574173,GGA,Cmce,A2B8CD7E4_oC176_64_g_2f3g_f_3f2g_2fg:C-H-N-S-Sb,88.0,A2B8CD7E4_oC176_64_g_2f3g_f_3f2g_2fg:C-H-N-S-Sb +mp-698424,SbH3CS2N,-4.9038041506,0.1143507902,0.5423921331,0.5423921331,GGA,P-1,AB3CD2E_aP32_2_2i_6i_2i_4i_2i:C-H-N-S-Sb,32.0,AB3CD2E_aP32_2_2i_6i_2i_4i_2i:C-H-N-S-Sb +mp-1179606,SbH3CS2N,-4.9439603772,0.0741945636,0.5022359065,0.5022359065,GGA,P-1,AB3CD2E_aP32_2_2i_6i_2i_4i_2i:C-H-N-S-Sb,32.0,AB3CD2E_aP32_2_2i_6i_2i_4i_2i:C-H-N-S-Sb +mp-1196932,Pb2C(SO3)2,-6.5558514136,-1.5915794469,0.0659697657,0.0659697657,GGA,Pnma,AB6C2D2_oP44_62_c_2c2d_d_2c:C-O-Pb-S,44.0,AB6C2D2_oP44_62_c_2c2d_d_2c:C-O-Pb-S +mp-1194046,CuH6Pb4(SO7)2,-5.8953632815,-1.568226507,0.0168802951,0.0168802951,GGA,P-1,AB6C14D4E2_aP27_2_a_3i_7i_2i_i:Cu-H-O-Pb-S,27.0,AB6C14D4E2_aP27_2_a_3i_7i_2i_i:Cu-H-O-Pb-S +mp-1202476,Cu2H6Pb5C(SO7)3,-6.1611045445,-1.6180392026,0.0,-0.000888092,GGA,Pmn2_1,AB2C6D21E5F3_oP76_31_a_b_3b_3a9b_a2b_ab:C-Cu-H-O-Pb-S,76.0,AB2C6D21E5F3_oP76_31_a_b_3b_3a9b_a2b_ab:C-Cu-H-O-Pb-S +mp-1195902,H6PbC2S2O7,-5.6245327742,-0.8786408276000001,0.4634153927,0.4634153927,GGA,P-1,A2B6C7DE2_aP72_2_4i_12i_14i_2i_4i:C-H-O-Pb-S,72.0,A2B6C7DE2_aP72_2_4i_12i_14i_2i_4i:C-H-O-Pb-S +mp-1232363,CuH5C6SO,-6.3070203473,-0.198594031,0.207874334,0.207874334,GGA,P2_12_12_1,A6BC5DE_oP56_19_6a_a_5a_a_a:C-Cu-H-O-S,56.0,A6BC5DE_oP56_19_6a_a_5a_a_a:C-Cu-H-O-S +mp-1191652,CuH2PbSO6,-5.9399975659,-1.5387350237,0.000781567,0.000781567,GGA,P2_1/m,AB2C6DE_mP22_11_a_2e_4ef_e_e:Cu-H-O-Pb-S,22.0,AB2C6DE_mP22_11_a_2e_4ef_e_e:Cu-H-O-Pb-S +mp-1200635,Pb4C2SO12,-6.6952731311,-1.6002924117,0.1472359537,0.1472359537,GGA,P3,A2B12C4D_hP57_143_2a2b2c_abc11d_4d_abc:C-O-Pb-S,57.0,A2B12C4D_hP57_143_2a2b2c_abc11d_4d_abc:C-O-Pb-S +mp-1198752,Cu2Pb5C(SO7)3,-6.2485699191,-1.4898159591,0.1041897006,0.1041897006,GGA,Pmn2_1,AB2C21D5E3_oP64_31_a_b_3a9b_a2b_ab:C-Cu-O-Pb-S,64.0,AB2C21D5E3_oP64_31_a_b_3a9b_a2b_ab:C-Cu-O-Pb-S +mp-1201449,CuH38C12(S4O7)2,-5.3129644305,-0.571703839,0.2634552069,0.2634552069,GGA,P-1,A12BC38D14E8_aP73_2_6i_a_19i_7i_4i:C-Cu-H-O-S,73.0,A12BC38D14E8_aP73_2_6i_a_19i_7i_4i:C-Cu-H-O-S +mp-709886,CuH5Pb4SO11,-5.7399594858,-1.4461662646,0.0417583518,0.0417583518,GGA,P2_1/c,AB5C11D4E_mP176_14_2e_10e_22e_8e_2e:Cu-H-O-Pb-S,176.0,AB5C11D4E_mP176_14_2e_10e_22e_8e_2e:Cu-H-O-Pb-S +mp-604583,RbH5C7SO5,-6.6788988037,-0.8149663738,0.1959538106,0.1959538106,GGA,Pbca,A7B5C5DE_oP152_61_7c_5c_5c_c_c:C-H-O-Rb-S,152.0,"Invalid WP multiplicities - A7B5C5DE_oP152_61_46c_31c_33c_c_c:C-H-O-Rb-S, expected RbH31C46SO33 to be RbH5C7SO5" +mp-1202779,RbH12AuC4(SO3)4,-5.6211064121,-0.9802871596,0.2965430167,0.2965430167,GGA,P-42_1c,AB4C12D12EF4_tP68_114_a_e_3e_3e_b_e:Au-C-H-O-Rb-S,68.0,AB4C12D12EF4_tP68_114_a_e_3e_3e_b_e:Au-C-H-O-Rb-S +mp-707323,LaH16C2N11O17,-6.3132353634000005,-0.9202118086,0.2706703639,0.2706703639,GGA,C2/c,A2B16CD11E17_mC188_15_f_8f_e_e5f_e8f:C-H-La-N-O,94.0,A2B16CD11E17_mC188_15_f_8f_e_e5f_e8f:C-H-La-N-O +mp-542688,LaH6Au3C6(N2O)3,-6.7528697892,-0.5390682686,0.2399743367,0.2399743367,GGA,P6_3/mcm,A3B6C6DE6F3_hP50_193_f_k_k_a_k_g:Au-C-H-La-N-O,50.0,A3B6C6DE6F3_hP50_193_f_k_k_a_k_g:Au-C-H-La-N-O +mp-1201215,H7AuN4O15,-5.9207959993,-0.9367487888,0.0,-0.0087591717,GGA,C2/c,AB7C4D15_mC108_15_c_a3f_2f_e7f:Au-H-N-O,54.0,AB7C4D15_mC108_15_c_a3f_2f_e7f:Au-H-N-O +mp-1212700,HAuC4(N2O)2,-6.5356976408000005,0.6993546206,1.2380846051,1.2380846051,GGA,P2_1/c,AB4CD4E2_mP24_14_a_2e_d_2e_e:Au-C-H-N-O,24.0,AB4CD4E2_mP24_14_a_2e_b_2e_e:Au-C-H-N-O +mp-1196856,H6AuC3NO,-5.6150955554,-0.2318106901,0.2575802082,0.2575802082,GGA,P-1,AB3C6DE_aP72_2_3i_9i_18i_3i_3i:Au-C-H-N-O,72.0,AB3C6DE_aP72_2_3i_9i_18i_3i_3i:Au-C-H-N-O +mp-1198469,LaH40C13N9O19,-5.7933236055,-0.5538938476,0.4776866838,0.4776866838,GGA,P2_1/c,A13B40CD9E19_mP328_14_13e_40e_e_9e_19e:C-H-La-N-O,328.0,A13B40CD9E19_mP328_14_13e_40e_e_9e_19e:C-H-La-N-O +mp-697715,H12AuC4N,-5.0219659392,-0.0643130817,0.1886029408,0.1886029408,GGA,P4/nmm,AB4C12D_tP36_129_c_i_ik_a:Au-C-H-N,36.0,AB4C12D_tP36_129_c_i_ik_a:Au-C-H-N +mp-557512,LaH4C4NO8,-7.4344969378,-1.6938537228,0.0115041362,0.0115041362,GGA,P2_1/c,A4B4CDE8_mP72_14_4e_4e_e_e_8e:C-H-La-N-O,72.0,"Invalid WP multiplicities - A4B4CDE8_mP72_14_13e_14e_e_e_31e:C-H-La-N-O, expected LaH14C13NO31 to be LaH4C4NO8" +mp-2712737,NaYZrP2SO12,-7.9958327996,-2.959165219,0.0476948364,0.0476948364,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Y-Zr,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Y-Zr, expected NaYZrP7SO60 to be NaYZrP2SO12" +mp-2716063,Na3Y2Zr2P5SO24,-8.0265634747,-3.0557685872,0.0348531783,0.0348531783,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Y-Zr,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Y-Zr +mp-2712896,YZrP(SO6)2,-7.9671494029,-2.787111843,0.0270863095,0.0270863095,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Y-Zr,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Y-Zr, expected YZrPS3O20 to be YZrP(SO6)2" +mp-2716561,NaY2Zr2P3(SO8)3,-7.9881233047,-2.8818188769,0.036493085,0.036493085,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Y-Zr,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Y-Zr +mp-1196255,GdH6C2ClO7,-7.0161249872,-1.7593504499,0.0178745051,0.0178745051,GGA,P2_1/c,A2BCD6E7_mP68_14_2e_e_e_6e_7e:C-Cl-Gd-H-O,68.0,A2BCD6E7_mP68_14_2e_e_e_6e_7e:C-Cl-Gd-H-O +mp-866789,Gd5(C2Cl)3,-10.4147346993,-1.0362908325,0.0,-0.0171593147,GGA,C2/m,A6B3C5_mC56_12_6i_3i_5i:C-Cl-Gd,28.0,A6B3C5_mC56_12_6i_3i_5i:C-Cl-Gd +mp-605688,GdH6C6Cl3(O3F2)3,-6.5083867723,-1.62647859,0.1817829411,0.1817829411,GGA,P2_1/c,A6B3C6DE6F9_mP124_14_6e_3e_6e_e_6e_9e:C-Cl-F-Gd-H-O,124.0,"Invalid WP multiplicities - A6B3C6DE6F9_mP124_14_20e_9e_24e_e_20e_35e:C-Cl-F-Gd-H-O, expected GdH20C20Cl9O35F24 to be GdH6C6Cl3(O3F2)3" +mp-1202378,H13C2Cl2O8F,-5.3935254108,-1.2494934282,0.0894033664,0.0894033664,GGA,P-1,A2B2CD13E8_aP52_2_2i_2i_i_13i_8i:C-Cl-F-H-O,52.0,A2B2CD13E8_aP52_2_2i_2i_i_13i_8i:C-Cl-F-H-O +mp-1238661,H13C2Cl2O8F,-5.0170131585,-0.8729811759,0.4659156187,0.4659156187,GGA,P-1,A2B2CD13E8_aP52_2_2i_2i_i_13i_8i:C-Cl-F-H-O,52.0,A2B2CD13E8_aP52_2_2i_2i_i_13i_8i:C-Cl-F-H-O +mp-1199531,Gd5C2Cl9,-8.81875149,-2.2265782322,0.0,-0.072192788,GGA,P2_1/c,A2B9C5_mP64_14_2e_9e_5e:C-Cl-Gd,64.0,A2B9C5_mP64_14_2e_9e_5e:C-Cl-Gd +mp-23989,GdH12(ClO2)3,-5.6462911102,-1.5547194272,0.0,-0.0146830173,GGA,P2/c,A3BC12D6_mP44_13_eg_f_6g_3g:Cl-Gd-H-O,44.0,A3BC12D6_mP44_13_eg_f_6g_3g:Cl-Gd-H-O +mp-1101836,GdH2ClO2,-7.829351555,-2.3954368196,0.0,-0.0150429137,GGA,P2_1/m,ABC2D2_mP12_11_e_e_2e_2e:Cl-Gd-H-O,12.0,ABC2D2_mP12_11_e_e_2e_2e:Cl-Gd-H-O +mp-28133,Gd3CCl3,-9.9501405546,-1.8069059557,0.0,-0.0409425225,GGA,I4_132,AB3C3_cI56_214_a_h_g:C-Cl-Gd,28.0,AB3C3_cI56_214_a_h_g:C-Cl-Gd +mp-1224646,GdHCO4,-9.1738056389,-2.5331958357,0.0,-0.0955860654,GGA,P2_12_12_1,ABCD4_oP28_19_a_a_a_4a:C-Gd-H-O,28.0,ABCD4_oP28_19_a_a_a_4a:C-Gd-H-O +mp-1203227,Gd4C2Cl3,-10.4445962556,-1.5215484861,0.0,-0.0084225072,GGA,Pnma,A2B3C4_oP36_62_2c_3c_4c:C-Cl-Gd,36.0,A2B3C4_oP36_62_2c_3c_4c:C-Cl-Gd +mp-28638,Gd2CCl,-11.0413011825,-1.2339395244,0.0,-0.02886703,GGA,R-3m,ABC2_hR12_166_a_b_c:C-Cl-Gd,4.0,ABC2_hR12_166_a_b_c:C-Cl-Gd +mp-29394,Gd2CCl2,-9.930597966,-1.7150013075,0.0070186353,0.0070186353,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-Cl-Gd,5.0,AB2C2_hP5_164_a_d_d:C-Cl-Gd +mp-621024,Gd6C3Cl5,-10.2632801957,-1.5928935373000002,0.0002518976,0.0002518976,GGA,C2/m,A3B5C6_mC28_12_ai_d2i_3i:C-Cl-Gd,14.0,"Invalid WP multiplicities - A3B5C6_mC28_12_ai_d4i_6i:C-Cl-Gd, expected Gd4CCl3 to be Gd6C3Cl5" +mp-767415,KNbPCO7,-7.9498178018,-2.4515911686000003,0.1262511619,0.1262511619,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-K-Nb-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-K-Nb-O-P, expected KNbPCO13 to be KNbPCO7" +mp-9987,Nb2PC,-9.4600797712,-0.7489352515000001,0.0,-0.0044539041,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:C-Nb-P,8.0,AB2C_hP8_194_a_f_c:C-Nb-P +mp-1026530,Mg14NbC,-2.2573353719,0.3510328302,0.4220631303,0.4220631303,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Nb, expected Mg18NbC to be Mg14NbC" +mp-1026534,Mg14NbC,-2.2850892988,0.3232789033,0.3943092035,0.3943092035,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Nb,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Nb, expected Mg26NbC to be Mg14NbC" +mp-768670,K3MgPCO7,-6.7136018150000005,-2.5443505943,0.0040512854,0.0040512854,GGA,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-K-Mg-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_2ef_e_9e2f_e:C-K-Mg-O-P, expected K4MgPCO13 to be K3MgPCO7" +mp-735580,K9Mg3Nb5(PO5)8,-6.6825712503,-1.9675724137,0.9043527144,0.9043527144,GGA,P1,A9B3C5D40E8_aP65_1_9a_3a_5a_40a_8a:K-Mg-Nb-O-P,65.0,A9B3C5D40E8_aP65_1_9a_3a_5a_40a_8a:K-Mg-Nb-O-P +mp-1016601,Mg6NbC,-3.3189809325,0.2974754216,0.4296748097,0.4296748097,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Nb,8.0,AB6C_oC16_38_a_abde_b:C-Mg-Nb +mp-1016630,Mg6NbC,-2.9715515338,0.6449048203000001,0.7771042084,0.7771042084,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Nb,8.0,AB6C_oC16_38_a_2bde_a:C-Mg-Nb +mp-1033892,Mg14NbCO16,-6.3834537081,-2.6059252515,0.3485742314,0.3485742314,GGA,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:C-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:C-Mg-Nb-O, expected Mg18NbCO20 to be Mg14NbCO16" +mp-1033806,Mg14NbCO16,-6.3827366534,-2.6052081968,0.3492912861,0.3492912861,GGA,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:C-Mg-Nb-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:C-Mg-Nb-O, expected Mg30NbCO32 to be Mg14NbCO16" +mp-1234075,K2MgNb2P2(CO7)2,-7.70438558,-2.3756348852,0.2762112432,0.2762112432,GGA,P1,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Mg-Nb-O-P,23.0,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Mg-Nb-O-P +mp-1234089,K2MgNb2P2(CO7)2,-7.6899052796,-2.3611545848,0.2906915436,0.2906915436,GGA,P1,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Mg-Nb-O-P,23.0,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Mg-Nb-O-P +mp-1033383,Mg6NbCO8,-6.4993502175,-2.2177776848,0.6371809815,0.6371809815,GGA,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:C-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:C-Mg-Nb-O, expected Mg6NbCO12 to be Mg6NbCO8" +mp-1033459,Mg6NbCO8,-6.4928601362,-2.2112876036,0.6436710628,0.6436710628,GGA,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:C-Mg-Nb-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:C-Mg-Nb-O, expected Mg6NbCO12 to be Mg6NbCO8" +mp-1038590,Mg30NbCO32,-6.3499510766,-2.8244446579,0.1798252332,0.1798252332,GGA,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:C-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:C-Mg-Nb-O, expected Mg110NbCO72 to be Mg30NbCO32" +mp-1038575,Mg30NbCO32,-6.3539854611,-2.8284790425,0.1757908487,0.1757908487,GGA,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:C-Mg-Nb-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:C-Mg-Nb-O, expected Mg90NbCO80 to be Mg30NbCO32" +mp-28837,K3RhCl6,-3.9843368927,-1.8056644256,0.0,-0.0184610062,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Rh,40.0,"Invalid WP multiplicities - A6B3C_mP40_14_10e_5e_ad:Cl-K-Rh, expected K5RhCl10 to be K3RhCl6" +mp-753955,K3H8RhC4(ClO6)2,-6.12936339,-1.5357196268000002,0.0782416685,0.0782416685,GGA,C2/m,A4B2C8D3E12F_mC60_12_j_i_2j_ah_3j_b:C-Cl-H-K-O-Rh,30.0,"Invalid WP multiplicities - A4B2C8D3E12F_mC60_12_j_i_3j_ah_5j_b:C-Cl-H-K-O-Rh, expected K3H12RhC4(ClO10)2 to be K3H8RhC4(ClO6)2" +mp-703299,K2H2RhCl5O,-3.9456710114,-1.1674955691,0.4074863534,0.4074863534,GGA,Pnma,A5B2C2DE_oP44_62_3cd_d_d_c_c:Cl-H-K-O-Rh,44.0,A5B2C2DE_oP44_62_3cd_d_d_c_c:Cl-H-K-O-Rh +mp-1227271,K6Rh2(C4O11)3,-6.5676103289,-0.9944834835,0.7700546102,0.7700546102,GGA,P1,A12B6C33D2_aP53_1_12a_6a_33a_2a:C-K-O-Rh,53.0,A12B6C33D2_aP53_1_12a_6a_33a_2a:C-K-O-Rh +mp-1202599,K3RhCl6O,-3.8344004808,-1.4040901733,0.2816797009,0.2816797009,GGA,Pbcn,A6B3CD_oP88_60_6d_3d_d_d:Cl-K-O-Rh,88.0,A6B3CD_oP88_60_6d_3d_d_d:Cl-K-O-Rh +mp-867518,CrH18C5(NO)4,-5.8491714009,-0.5367283294,0.1744566339,0.1744566339,GGA+U,P2_13,A5BC18D4E4_cP128_198_2ab_a_6b_ab_ab:C-Cr-H-N-O,128.0,A5BC18D4E4_cP128_198_2ab_a_6b_ab_ab:C-Cr-H-N-O +mp-706251,Cr4H67C20(NO)16,-5.7950460783,-0.4045657293,0.32229339,0.32229339,GGA+U,P1,A20B4C67D16E16_aP123_1_20a_4a_67a_16a_16a:C-Cr-H-N-O,123.0,A20B4C67D16E16_aP123_1_20a_4a_67a_16a_16a:C-Cr-H-N-O +mp-1211219,NpCrO11,-6.7041404294,-0.7799555852000001,0.6281645801,0.6281645801,GGA+U,P2_1/c,ABC11_mP52_14_e_e_11e:Cr-Np-O,52.0,ABC11_mP52_14_e_e_11e:Cr-Np-O +mp-1205162,NpCrH8C2(NO2)4,-7.1745867696,-1.294609441,0.1525774731,0.1525774731,GGA+U,P2_1/c,A2BC8D4EF8_mP96_14_2e_e_8e_4e_e_8e:C-Cr-H-N-Np-O,96.0,A2BC8D4EF8_mP96_14_2e_e_8e_4e_e_8e:C-Cr-H-N-Np-O +mp-1201225,Np2Cr3(NO4)4,-7.6474261678,-0.9535181337,0.9905074675,0.9905074675,GGA+U,P-1,A3B4C2D16_aP50_2_3i_4i_2i_16i:Cr-N-Np-O,50.0,A3B4C2D16_aP50_2_3i_4i_2i_16i:Cr-N-Np-O +mp-1106046,CrH4C4NO10,-7.0197257885,-1.1226260056,0.4539498364,0.4539498364,GGA+U,C2/m,A4BC4DE10_mC40_12_j_a_j_d_i2j:C-Cr-H-N-O,20.0,A4BC4DE10_mC40_12_j_a_j_c_i2j:C-Cr-H-N-O +mp-1226401,CrH8C4NO10,-6.853822,-1.3741178401,0.0424780624,0.0424780624,GGA+U,Cm,A4BC8DE10_mC48_8_2b_a_2a3b_a_2a4b:C-Cr-H-N-O,24.0,A4BC8DE10_mC48_8_2b_a_2a3b_a_2a4b:C-Cr-H-N-O +mp-1202459,CrH12C2(N3O2)2,-6.271168453,-0.7260158374,0.1140040521,0.1140040521,GGA+U,P-1,A2BC12D6E4_aP50_2_2i_i_12i_6i_4i:C-Cr-H-N-O,50.0,A2BC12D6E4_aP50_2_2i_i_12i_6i_4i:C-Cr-H-N-O +mp-1182589,CrH12C6(NO4)3,-6.3189433756,-0.7275462499,0.5311404552,0.5311404552,GGA+U,P1,A6BC12D3E12_aP34_1_6a_a_12a_3a_12a:C-Cr-H-N-O,34.0,A6BC12D3E12_aP34_1_6a_a_12a_3a_12a:C-Cr-H-N-O +mp-735510,CrH10C2(NO4)2,-6.1489995748,-1.0062109467,0.3113173904,0.3113173904,GGA+U,P2_1/c,A2BC10D2E8_mP92_14_2e_e_10e_2e_8e:C-Cr-H-N-O,92.0,A2BC10D2E8_mP92_14_2e_e_10e_2e_8e:C-Cr-H-N-O +mp-1227848,Cr2H28C10N6O7,-5.9316074574,-0.4366099167,0.2854730023,0.2854730023,GGA+U,P2_1,A10B2C28D6E7_mP106_4_10a_2a_28a_6a_7a:C-Cr-H-N-O,106.0,"Invalid WP multiplicities - A10B2C28D6E7_mP106_4_15a_3a_42a_9a_10a:C-Cr-H-N-O, expected Cr3H42C15N9O10 to be Cr2H28C10N6O7" +mp-728473,Cr3H24C8(NO5)2,-5.9342384391,-0.6075625159,0.3472194366,0.3472194366,GGA+U,P2_1/c,A8B3C24D2E10_mP188_14_8e_3e_24e_2e_10e:C-Cr-H-N-O,188.0,A8B3C24D2E10_mP188_14_8e_3e_24e_2e_10e:C-Cr-H-N-O +mp-744019,CrH9(CN2)3,-6.1148016639,0.0900692783,0.4665143957,0.4665143957,GGA,P-1,A3BC9D6_aP38_2_3i_ad_9i_6i:C-Cr-H-N,38.0,"Invalid WP multiplicities - A3BC9D6_aP38_2_6i_ad_18i_12i:C-Cr-H-N, expected CrH18(CN2)6 to be CrH9(CN2)3" +mp-504919,CrH9(CN2)3,-6.4817023147,-0.2768313725,0.0996137449,0.0996137449,GGA,R-3,A3BC9D6_hR114_148_f_ab_3f_2f:C-Cr-H-N,38.0,A3BC9D6_hR114_148_f_ab_3f_2f:C-Cr-H-N +mp-698454,DyH9C5(NO4)2,-6.7564766588000005,-1.2552307289,0.114814945,0.114814945,GGA,C2,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Dy-H-N-O,25.0,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Dy-H-N-O +mp-1200680,DyH9C5(NO4)2,-6.7677920876,-1.2665461577,0.1034995162,0.1034995162,GGA,C222_1,A5BC9D2E8_oC100_20_2abc_a_2ab3c_c_4c:C-Dy-H-N-O,50.0,A5BC9D2E8_oC100_20_2abc_a_2ab3c_c_4c:C-Dy-H-N-O +mp-745208,DyFeH8C6(N3O2)2,-6.9678903375,-0.6064928852,0.309740061,0.309740061,GGA+U,Cmcm,A6BCD8E6F4_oC104_63_fh_c_a_2fh_fh_fg:C-Dy-Fe-H-N-O,52.0,A6BCD8E6F4_oC104_63_fh_c_a_2fh_fh_fg:C-Dy-Fe-H-N-O +mp-1213248,Dy2Fe17H3,-7.5116232509,-0.085163597,0.0857403234,0.0857403234,GGA,P6_3/mmc,A2B17C3_hP44_194_bc_fgjk_h:Dy-Fe-H,44.0,A2B17C3_hP44_194_bc_fgjk_h:Dy-Fe-H +mp-1196453,Dy6H40N8O49,-6.1576394097,-1.570945535,0.0,-0.0092171182,GGA,P-1,A6B40C8D49_aP103_2_3i_20i_4i_a24i:Dy-H-N-O,103.0,A6B40C8D49_aP103_2_3i_20i_4i_a24i:Dy-H-N-O +mp-1213621,DyH13C8N6O13,-6.9014025226,-1.124147104,0.1387184588,0.1387184588,GGA,C2/c,A8BC13D6E13_mC328_15_8f_f_13f_6f_13f:C-Dy-H-N-O,,A8BC13D6E13_mC328_15_8f_f_13f_6f_13f:C-Dy-H-N-O +mp-23666,AsH8CN3O4,-5.9616536253,-0.9130752796,0.0463971654,0.0463971654,GGA,P2_1/c,ABC8D3E4_mP68_14_e_e_8e_3e_4e:As-C-H-N-O,68.0,"Invalid WP multiplicities - ABC8D3E4_mP68_14_e_e_11e_3e_7e:As-C-H-N-O, expected AsH11CN3O7 to be AsH8CN3O4" +mp-1214628,As4HN2(ClO3)2,-5.0566728607,-0.2513798538,1.0468417346,1.0468417346,GGA,P6/mmm,A4B2CD2E6_hP15_191_h_e_a_d_i:As-Cl-H-N-O,15.0,A4B2CD2E6_hP15_191_h_e_a_d_i:As-Cl-H-N-O +mp-690847,AsH2C2NCl2O,-5.6105678411,-0.401439126,0.4347992158,0.4347992158,GGA,Cmce,AB2C2D2EF_oC72_64_f_2f_2f_g_f_e:As-C-Cl-H-N-O,36.0,AB2C2D2EF_oC72_64_f_2f_2f_g_f_e:As-C-Cl-H-N-O +mp-1182363,As4N2Cl2O7,-5.109596288,-0.2007057701,1.0995075171,1.0995075171,GGA,Cmmm,A4B2C2D7_oC30_65_o_k_h_alm:As-Cl-N-O,15.0,"Invalid WP multiplicities - A4B2C2D7_oC30_65_o_k_h_a2l2m:As-Cl-N-O, expected As4N2Cl2O13 to be As4N2Cl2O7" +mp-1105031,As4N2Cl2O7,-5.1075018573,-0.1986113394,1.1016019477,1.1016019477,GGA,P6/mmm,A4B2C2D7_hP15_191_h_e_c_bi:As-Cl-N-O,15.0,A4B2C2D7_hP15_191_h_e_c_bi:As-Cl-N-O +mp-2714835,Na10Y4Zn4Si3(S3O16)3,-6.7032802418,-2.4074446923,0.0984169311,0.0984169311,GGA,P1,A10B48C9D3E4F4_aP234_1_30a_144a_27a_9a_12a_12a:Na-O-S-Si-Y-Zn,234.0,A10B48C9D3E4F4_aP234_1_30a_144a_27a_9a_12a_12a:Na-O-S-Si-Y-Zn +mp-2715067,Na3YZn3(SO4)6,-6.3900728143,-2.1264915685,0.0274357064,0.0274357064,GGA,P1,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-S-Y-Zn,111.0,A3B24C6DE3_aP111_1_9a_72a_18a_3a_9a:Na-O-S-Y-Zn +mp-2713653,Na6Y4Zn4SiS11O48,-6.7520392849,-2.3303185368,0.0565799099,0.0565799099,GGA,P1,A6B48C11DE4F4_aP222_1_18a_144a_33a_3a_12a_12a:Na-O-S-Si-Y-Zn,222.0,A6B48C11DE4F4_aP222_1_18a_144a_33a_3a_12a_12a:Na-O-S-Si-Y-Zn +mp-2714026,Na7Y3ZnSi3(SO8)3,-6.9951072771,-2.6701641852,0.1101026514,0.1101026514,GGA,P1,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-S-Si-Y-Zn,123.0,A7B24C3D3E3F_aP123_1_21a_72a_9a_9a_9a_3a:Na-O-S-Si-Y-Zn +mp-2714136,NaYZn(SO4)3,-6.7780022253,-2.2880936613,0.0227971639,0.0227971639,GGA,R3c,AB12C3DE_hR108_161_a_4b_b_a_a:Na-O-S-Y-Zn,108.0,"Invalid WP multiplicities - AB12C3DE_hR108_161_a_12b_b_a_a:Na-O-S-Y-Zn, expected NaYZn(SO12)3 to be NaYZn(SO4)3" +mp-2715185,Na8Y2Zn2Si3(SO8)3,-6.6365538048,-2.5070665535,0.1252702647,0.1252702647,GGA,P1,A8B24C3D3E2F2_aP126_1_24a_72a_9a_9a_6a_6a:Na-O-S-Si-Y-Zn,126.0,A8B24C3D3E2F2_aP126_1_24a_72a_9a_9a_6a_6a:Na-O-S-Si-Y-Zn +mp-2713447,Na4Y2Zn2SiS5O24,-6.7264379181,-2.3693161535,0.0830236553,0.0830236553,GGA,P1,A4B24C5DE2F2_aP114_1_12a_72a_15a_3a_6a_6a:Na-O-S-Si-Y-Zn,114.0,A4B24C5DE2F2_aP114_1_12a_72a_15a_3a_6a_6a:Na-O-S-Si-Y-Zn +mp-2715889,Na14Y4Zn4Si5S7O48,-6.6644665739,-2.4822347402,0.1228380516,0.1228380516,GGA,P1,A14B48C7D5E4F4_aP246_1_42a_144a_21a_15a_12a_12a:Na-O-S-Si-Y-Zn,246.0,A14B48C7D5E4F4_aP246_1_42a_144a_21a_15a_12a_12a:Na-O-S-Si-Y-Zn +mp-1216132,Y6Zn(SiS7)2,-6.618240233,-1.8869574293,0.0188990996,0.0188990996,GGA,P3,A14B2C6D_hP23_143_ab4d_ab_2d_c:S-Si-Y-Zn,23.0,A14B2C6D_hP23_143_ab4d_ab_2d_c:S-Si-Y-Zn +mp-2714889,NaY3Zn(SO4)6,-7.1898378887,-2.4606690168,0.0161547042,0.0161547042,GGA,P3,AB24C6D3E_hP105_143_2ab_24d_6d_3a2b4c_a2b:Na-O-S-Y-Zn,105.0,AB24C6D3E_hP105_143_2ab_24d_6d_3a2b4c_a2b:Na-O-S-Y-Zn +mp-1215676,YZnSi,-5.0062385333,-0.6223942822,0.0,-0.0491505418,GGA,P-6m2,ABC_hP3_187_a_d_e:Si-Y-Zn,3.0,ABC_hP3_187_a_d_e:Si-Y-Zn +mp-2712785,Na3YZnSi(SO6)2,-6.6812915588,-2.4436779137,0.1130294335,0.1130294335,GGA,Cc,A3B12C2DEF_mC240_9_9a_36a_6a_3a_3a_3a:Na-O-S-Si-Y-Zn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC240_9_12a_60a_9a_3a_3a_3a:Na-O-S-Si-Y-Zn, expected Na4YZnSiS3O20 to be Na3YZnSi(SO6)2" +mp-735584,Rb2FeH2C5(N3O)2,-7.0682787947,-0.2198223569,0.4689515421,0.4689515421,GGA+U,C2/c,A5BC2D6E2F2_mC144_15_5f_f_2f_6f_2f_2f:C-Fe-H-N-O-Rb,72.0,A5BC2D6E2F2_mC144_15_5f_f_2f_6f_2f_2f:C-Fe-H-N-O-Rb +mp-622613,Rb2FeC5N6O,-7.4385638175,-0.0025588123,0.5266658158,0.5266658158,GGA+U,P2_12_12_1,A5BC6DE2_oP60_19_5a_a_6a_a_2a:C-Fe-N-O-Rb,60.0,"Invalid WP multiplicities - A5BC6DE2_oP60_19_20a_a_20a_a_2a:C-Fe-N-O-Rb, expected Rb2FeC20N20O to be Rb2FeC5N6O" +mp-1203028,GaAsH5CNO5,-5.8097676379,-1.0276641646,0.3018803646,0.3018803646,GGA,P2_1/c,ABCD5EF5_mP56_14_e_e_e_5e_e_5e:As-C-Ga-H-N-O,56.0,ABCD5EF5_mP56_14_e_e_e_5e_e_5e:As-C-Ga-H-N-O +mp-706983,K3HPtS2(ClO3)2,-5.464565905,-1.8348884698,0.0453490271,0.0453490271,GGA,Cmc2_1,A2BC3D6EF2_oC60_36_b_a_ab_3b_a_b:Cl-H-K-O-Pt-S,30.0,A2BC3D6EF2_oC60_36_b_a_ab_3b_a_b:Cl-H-K-O-Pt-S +mp-1204733,GeBiH8C2S4N,-5.0451246879,-0.4013040572,0.0248849481,0.0248849481,GGA,P2_1,AB2CD8EF4_mP34_4_a_2a_a_8a_a_4a:Bi-C-Ge-H-N-S,34.0,AB2CD8EF4_mP34_4_a_2a_a_8a_a_4a:Bi-C-Ge-H-N-S +mp-1204400,BiH6C3(S2N)3,-5.6923085584,-0.3390966714,0.0681213012,0.0681213012,GGA,P-1,AB3C6D3E6_aP38_2_i_3i_6i_3i_6i:Bi-C-H-N-S,38.0,AB3C6D3E6_aP38_2_i_3i_6i_3i_6i:Bi-C-H-N-S +mp-600205,H10C5SeS2N3Cl,-5.5915552756,-0.1962179774,0.2181498513,0.2181498513,GGA,Pbca,A5BC10D3E2F_oP176_61_5c_c_10c_3c_2c_c:C-Cl-H-N-S-Se,176.0,"Invalid WP multiplicities - A5BC10D3E2F_oP176_61_33c_c_74c_13c_7c_c:C-Cl-H-N-S-Se, expected H74C33SeS7N13Cl to be H10C5SeS2N3Cl" +mp-707208,H8C2SeS2(N2Cl)2,-5.4549544808,-0.4859542926,0.0559308507,0.0559308507,GGA,P2_1/c,A2B2C8D4E2F_mP76_14_2e_2e_8e_4e_2e_e:C-Cl-H-N-S-Se,76.0,A2B2C8D4E2F_mP76_14_2e_2e_8e_4e_2e_e:C-Cl-H-N-S-Se +mp-558541,H9C3SeSN2Cl,-4.9983064732,-0.0351053711,0.4077985904,0.4077985904,GGA,P-1,A3BC9D2EF_aP34_2_3i_i_9i_2i_i_i:C-Cl-H-N-S-Se,34.0,"Invalid WP multiplicities - A3BC9D2EF_aP34_2_6i_i_16i_2i_i_i:C-Cl-H-N-S-Se, expected H16C6SeSN2Cl to be H9C3SeSN2Cl" +mp-774930,Li4Fe5P6WO24,-7.7278045115,-2.3741977151,0.0883541138,0.0883541138,GGA+U,P1,A5B4C24D6E_aP40_1_5a_4a_24a_6a_a:Fe-Li-O-P-W,40.0,A5B4C24D6E_aP40_1_5a_4a_24a_6a_a:Fe-Li-O-P-W +mp-764443,Li4Mn3Fe3(WO8)2,-7.9729520425,-2.0588420135,0.0629151982,0.0629151982,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Mn-O-W,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Fe-Li-Mn-O-W +mp-760290,Li4Mn3Fe3(WO8)2,-7.9258007993,-2.0116907703,0.1100664414,0.1100664414,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Fe-Li-Mn-O-W,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Fe-Li-Mn-O-W, expected Li4Mn3Fe3(WO10)2 to be Li4Mn3Fe3(WO8)2" +mp-757052,Mn2Fe3P6WO24,-8.2040114472,-2.4292178763,0.0085598839,0.0085598839,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Fe-Mn-O-P-W,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Fe-Mn-O-P-W, expected Mn2Fe3P6WO60 to be Mn2Fe3P6WO24" +mp-1176835,Li8Fe7P12WO48,-7.5953900472,-2.4648591281,0.0127647898,0.0127647898,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-W,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-W +mp-770860,Li4Mn2Fe3P6WO24,-7.821247832,-2.4330413315,0.0836835967,0.0836835967,GGA+U,P1,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-W,40.0,A3B4C2D24E6F_aP40_1_3a_4a_2a_24a_6a_a:Fe-Li-Mn-O-P-W +mp-771110,Li4Mn5P6WO24,-7.9565541925,-2.5164481358,0.0808814696,0.0808814696,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-W,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-W +mp-769612,Li6Mn3P6WO24,-7.6226447435,-2.5451933081,0.0791018244,0.0791018244,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-W,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-W +mp-771478,Mn3Fe2P6WO24,-8.1744532344,-2.3804376057,0.0799023064,0.0799023064,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Fe-Mn-O-P-W,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Fe-Mn-O-P-W, expected Mn3Fe2P6WO60 to be Mn3Fe2P6WO24" +mp-1214728,CoH3S2N5O6,-4.8623470012,0.8389472668,1.8945171811,1.8945171811,GGA+U,P2_12_12_1,AB3C5D6E2_oP68_19_a_3a_5a_6a_2a:Co-H-N-O-S,68.0,AB3C5D6E2_oP68_19_a_3a_5a_6a_2a:Co-H-N-O-S +mp-720863,CoH19S3N5O11,-5.6417874643,-1.0244666258,0.0867082131,0.0867082131,GGA+U,P2_1/c,AB19C5D11E3_mP156_14_e_19e_5e_11e_3e:Co-H-N-O-S,156.0,AB19C5D11E3_mP156_14_e_19e_5e_11e_3e:Co-H-N-O-S +mp-510449,CoH20S2(NO7)2,-5.6004115409,-1.2629148682,0.0208173569,0.0208173569,GGA+U,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Co-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Co-H-N-O-S +mp-1226417,CoH8S2(NO2)4,-6.0074707783,-0.9882309835,0.1801770823,0.1801770823,GGA+U,P1,AB8C4D8E2_aP23_1_a_8a_4a_8a_2a:Co-H-N-O-S,23.0,AB8C4D8E2_aP23_1_a_8a_4a_8a_2a:Co-H-N-O-S +mp-735625,CoH22S2N5O9,-4.9710000396,-0.4524394358,0.5551467259,0.5551467259,GGA+U,P2_12_12_1,AB22C5D9E2_oP156_19_a_22a_5a_9a_2a:Co-H-N-O-S,156.0,AB22C5D9E2_oP156_19_a_22a_5a_9a_2a:Co-H-N-O-S +mp-1196395,CoH18S2Br(N3O2)2,-5.2221250835,-0.6030926128,0.1908633672,0.1908633672,GGA+U,Pbam,ABC18D6E4F2_oP128_55_g_ad_gh8i_gh2i_ghi_2h:Br-Co-H-N-O-S,128.0,ABC18D6E4F2_oP128_55_g_ad_gh8i_gh2i_ghi_2h:Br-Co-H-N-O-S +mp-744397,Co2H21S3(NO2)6,-5.6363609854,-0.9260776622,0.1579135491,0.1579135491,GGA+U,P2_1/c,A2B21C6D12E3_mP176_14_2e_21e_6e_12e_3e:Co-H-N-O-S,176.0,A2B21C6D12E3_mP176_14_2e_21e_6e_12e_3e:Co-H-N-O-S +mp-1199194,CoH4S(NO2)2,-6.1474020108,-1.0411172994,0.1048084057,0.1048084057,GGA+U,Pccn,AB4C2D4E_oP48_56_a_2e_e_2e_c:Co-H-N-O-S,48.0,AB4C2D4E_oP48_56_a_2e_e_2e_c:Co-H-N-O-S +mp-734944,CoH2(SN)4,-5.487757621,0.3109286565,0.6846615518,0.6846615518,GGA,P2_1/c,AB2C4D4_mP88_14_2e_4e_8e_8e:Co-H-N-S,88.0,AB2C4D4_mP88_14_2e_4e_8e_8e:Co-H-N-S +mp-1227779,Co2H31S2N9O11,-5.563232426,-0.8885765557,0.0268672401,0.0268672401,GGA+U,P1,A2B31C9D11E2_aP55_1_2a_31a_9a_11a_2a:Co-H-N-O-S,55.0,A2B31C9D11E2_aP55_1_2a_31a_9a_11a_2a:Co-H-N-O-S +mp-675283,TlPF6,-5.2206531375,-2.8150507052,0.0008159437,-0.1317856128,GGA,R-3m,A6BC_hR24_166_h_a_b:F-P-Tl,8.0,A6BC_hR24_166_h_a_b:F-P-Tl +mp-540850,TlPF6,-5.2214690812,-2.815866649,0.0,-0.1326015566,GGA,Pa-3,A6BC_cP32_205_d_a_b:F-P-Tl,32.0,A6BC_cP32_205_d_a_b:F-P-Tl +mp-555863,P4PtF12,-5.59478028,-2.6146572825,0.0,-0.0413287808,GGA,I-43m,A12B4C_cI34_217_g_c_a:F-P-Pt,17.0,A12B4C_cI34_217_g_c_a:F-P-Pt +mp-1025383,TlPPt5,-5.6772388714,-0.2298656924,0.0,-0.0043398554,GGA,P4/mmm,AB5C_tP7_123_b_ai_c:P-Pt-Tl,7.0,AB5C_tP7_123_b_ai_c:P-Pt-Tl +mp-729102,Mo2AsH18C6NO12,-5.7418209326,-0.4796149364,0.6372064224,0.6372064224,GGA+U,P2_1/c,AB6C18D2EF12_mP160_14_e_6e_18e_2e_e_12e:As-C-H-Mo-N-O,160.0,AB6C18D2EF12_mP160_14_e_6e_18e_2e_e_12e:As-C-H-Mo-N-O +mp-729296,Ni5SbH17C15NO9,-6.1629661218,-0.2881181401,0.4503320765,0.4503320765,GGA+U,P-1,A15B17CD5E9F_aP96_2_15i_17i_i_5i_9i_i:C-H-N-Ni-O-Sb,96.0,A15B17CD5E9F_aP96_2_15i_17i_i_5i_9i_i:C-H-N-Ni-O-Sb +mp-1196541,K10LiZr6H4O2F35,-6.1058457873,-3.4392050704,0.0,-0.0044736833,GGA,P2_1,A35B4C10DE2F6_mP116_4_35a_4a_10a_a_2a_6a:F-H-K-Li-O-Zr,116.0,A35B4C10DE2F6_mP116_4_35a_4a_10a_a_2a_6a:F-H-K-Li-O-Zr +mp-2716005,Na3Y2Hf2P5SO24,-8.1360982177,-3.0891147681,0.0418632829,0.0418632829,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-S-Y,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Hf-Na-O-P-S-Y +mp-2712787,NaYHfP2SO12,-8.1115531672,-2.9965806754,0.0517566734,0.0517566734,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Hf-Na-O-P-S-Y,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Hf-Na-O-P-S-Y, expected NaYHfP7SO60 to be NaYHfP2SO12" +mp-2716546,NaY2Hf2P3(SO8)3,-8.1095973801,-2.9227507581000003,0.0382235628,0.0382235628,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Hf-Na-O-P-S-Y,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Hf-Na-O-P-S-Y +mp-2713004,YHfP(SO6)2,-8.0824277728,-2.8194791306,0.0354614897,0.0354614897,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Hf-O-P-S-Y,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Hf-O-P-S-Y, expected YHfPS3O20 to be YHfP(SO6)2" +mp-1203956,MnSnH16C6S3O11,-6.0346002223,-1.0438075316,0.0984642934,0.0984642934,GGA+U,P2_1/c,A6B16CD11E3F_mP152_14_6e_16e_e_11e_3e_e:C-H-Mn-O-S-Sn,152.0,A6B16CD11E3F_mP152_14_6e_16e_e_11e_3e_e:C-H-Mn-O-S-Sn +mp-1201441,CrP2H15O14,-6.0714936181,-1.6769878333,0.0013911161,0.0013911161,GGA+U,P-1,AB15C14D2_aP64_2_i_15i_14i_2i:Cr-H-O-P,64.0,AB15C14D2_aP64_2_i_15i_14i_2i:Cr-H-O-P +mp-605503,CrP3(HO5)2,-7.5061750786,-2.3720941916,0.0,-0.0007262682,GGA+U,P2_1/c,AB2C10D3_mP64_14_e_2e_10e_3e:Cr-H-O-P,64.0,"Invalid WP multiplicities - AB2C10D3_mP64_14_e_6e_39e_8e:Cr-H-O-P, expected CrP8(H2O13)3 to be CrP3(HO5)2" +mp-504967,CrP(HO)5,-6.3708823127,-1.6405969995,0.0128613188,0.0128613188,GGA+U,P2_12_12_1,AB5C5D_oP48_19_a_5a_5a_a:Cr-H-O-P,48.0,AB5C5D_oP48_19_a_5a_5a_a:Cr-H-O-P +mp-754797,CrPHO5,-7.559900055,-2.1608351078,0.0275868309,0.0275868309,GGA+U,P-1,ABC5D_aP16_2_ab_i_5i_i:Cr-H-O-P,16.0,"Invalid WP multiplicities - ABC5D_aP16_2_ab_i_9i_i:Cr-H-O-P, expected CrPHO9 to be CrPHO5" +mp-776748,Cr2P4H3O16,-7.3511951424,-2.1398150431,0.0789420834,0.0789420834,GGA+U,P1,A2B3C16D4_aP25_1_2a_3a_16a_4a:Cr-H-O-P,25.0,A2B3C16D4_aP25_1_2a_3a_16a_4a:Cr-H-O-P +mp-753596,VCrP2(HO5)2,-7.6263149916,-2.2628213818000003,0.0457565097,0.0457565097,GGA+U,P-1,AB2C10D2E_aP16_2_a_i_5i_i_b:Cr-H-O-P-V,32.0,AB2C10D2E_aP16_2_a_i_5i_i_b:Cr-H-O-P-V +mp-1412531,VCrP2(HO5)2,-2.1375143581,3.2259792516,5.5345571431,5.5345571431,GGA+U,P-1,AB2C10D2E_aP16_2_b_i_5i_i_e:Cr-H-O-P-V,16.0,"Invalid WP multiplicities - AB2C10D2E_aP16_2_b_i_9i_i_e:Cr-H-O-P-V, expected VCrP2(HO9)2 to be VCrP2(HO5)2" +mp-2229286,MgV2P2(HO5)2,-7.6236158047,-2.5149666044,0.0160076025,0.0160076025,GGA+U,P1,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-V,17.0,A2BC10D2E2_aP17_1_2a_a_10a_2a_2a:H-Mg-O-P-V +mp-2228946,MgV2P2(HO5)2,-7.6255106876,-2.5168614873,0.0141127195,0.0141127195,GGA+U,P-1,A2BC10D2E2_aP17_2_i_a_5i_i_cf:H-Mg-O-P-V,17.0,"Invalid WP multiplicities - A2BC10D2E2_aP17_2_i_a_9i_i_cf:H-Mg-O-P-V, expected MgV2P2(HO9)2 to be MgV2P2(HO5)2" +mp-1210781,MgV2P2(H4O7)2,-6.7823577444000005,-2.0790189474,0.0068205072,0.0068205072,GGA+U,P1,A8BC14D2E2_aP27_1_8a_a_14a_2a_2a:H-Mg-O-P-V,27.0,A8BC14D2E2_aP27_1_8a_a_14a_2a_2a:H-Mg-O-P-V +mp-2229489,MgVCrP2(HO5)2,-7.6544251653,-2.5122970591,0.0,-0.0081675032,GGA+U,P-1,AB2CD10E2F_aP17_2_c_i_a_5i_i_f:Cr-H-Mg-O-P-V,17.0,"Invalid WP multiplicities - AB2CD10E2F_aP17_2_c_i_a_9i_i_f:Cr-H-Mg-O-P-V, expected MgVCrP2(HO9)2 to be MgVCrP2(HO5)2" +mp-1199897,CaCoBP2H5O11,-6.8994904007,-2.2329608527,0.0317623816,0.0317623816,GGA+U,P-1,ABCD5E11F2_aP42_2_i_i_i_5i_11i_2i:B-Ca-Co-H-O-P,42.0,ABCD5E11F2_aP42_2_i_i_i_5i_11i_2i:B-Ca-Co-H-O-P +mp-6667,CaBPO5,-7.9410629817,-3.0870957674,0.0056390924,0.0056390924,GGA,P3_121,ABC5D_hP24_152_a_a_b2c_b:B-Ca-O-P,24.0,"Invalid WP multiplicities - ABC5D_hP24_152_a_a_b3c_b:B-Ca-O-P, expected CaBPO7 to be CaBPO5" +mp-707833,HRu6C16NO16,-8.1944494128,-0.8399168260000001,0.2488443251,0.2488443251,GGA,P2_1/c,A16BCD16E6_mP160_14_16e_e_e_16e_6e:C-H-N-O-Ru,160.0,A16BCD16E6_mP160_14_16e_e_e_16e_6e:C-H-N-O-Ru +mp-680280,Ru3C10(NO6)2,-8.1566959627,-0.8921360764,0.2880932114,0.2880932114,GGA,P2_1/c,A10B2C12D3_mP108_14_10e_2e_12e_3e:C-N-O-Ru,108.0,"Invalid WP multiplicities - A10B2C12D3_mP108_14_39e_6e_42e_7e:C-N-O-Ru, expected Ru7C39(NO7)6 to be Ru3C10(NO6)2" +mp-720439,H4Ru3C9N2O9,-7.6912657886,-0.8155143263,0.1956028998,0.1956028998,GGA,P-1,A9B4C2D9E3_aP108_2_18i_8i_4i_18i_6i:C-H-N-O-Ru,108.0,A9B4C2D9E3_aP108_2_18i_8i_4i_18i_6i:C-H-N-O-Ru +mp-1194938,NaH24Ru(C2N5)4,-6.2137151094,-0.0547970473,0.289526207,0.289526207,GGA,Pa-3,A8B24C20DE_cP216_205_cd_4d_c3d_a_b:C-H-N-Na-Ru,216.0,A8B24C20DE_cP216_205_cd_4d_c3d_a_b:C-H-N-Na-Ru +mp-695945,Na2H4RuC5(N2O)3,-7.0060431239,-0.506389769,0.2652384055,0.2652384055,GGA,Pnnm,A5B4C6D2E3F_oP84_58_g2h_2h_2g2h_ef_gh_g:C-H-N-Na-O-Ru,84.0,A5B4C6D2E3F_oP84_58_g2h_2h_2g2h_ef_gh_g:C-H-N-Na-O-Ru +mp-707955,Ru4C12N2O13,-8.2617383358,-0.8803983627,0.2332050782,0.2332050782,GGA,P-1,A12B2C13D4_aP124_2_24i_4i_26i_8i:C-N-O-Ru,124.0,A12B2C13D4_aP124_2_24i_4i_26i_8i:C-N-O-Ru +mp-1173843,Na3H12Ru2(C2O9)2,-6.399413036,-1.5485373367,0.0274944755,0.0274944755,GGA,P1,A4B12C3D18E2_aP78_1_8a_24a_6a_36a_4a:C-H-Na-O-Ru,78.0,A4B12C3D18E2_aP78_1_8a_24a_6a_36a_4a:C-H-Na-O-Ru +mp-709027,H20RuC6NO14,-6.0813726837,-1.0792047485,0.1046413893,0.1046413893,GGA,Cmcm,A6B20CD14E_oC168_63_gh_3fg3h_c_3f2h_a:C-H-N-O-Ru,84.0,A6B20CD14E_oC168_63_gh_3fg3h_c_3f2h_a:C-H-N-O-Ru +mp-974606,ReH6CN3O4,-6.8320454757,-1.0436595712,0.0119949719,0.0119949719,GGA,P-1,AB6C3D4E_aP30_2_i_6i_3i_4i_i:C-H-N-O-Re,30.0,"Invalid WP multiplicities - AB6C3D4E_aP30_2_i_11i_5i_7i_i:C-H-N-O-Re, expected ReH11CN5O7 to be ReH6CN3O4" +mp-696020,CaRe2H6C(NO5)2,-7.254693915,-1.6810778707,0.031845692,0.031845692,GGA,P-1,ABC6D2E10F2_aP44_2_i_i_6i_2i_10i_2i:C-Ca-H-N-O-Re,44.0,ABC6D2E10F2_aP44_2_i_i_6i_2i_10i_2i:C-Ca-H-N-O-Re +mp-683995,Re3C14NO16,-8.452205169700001,-0.9810753828,0.3196508244,0.3196508244,GGA,P2_1/c,A14BC16D3_mP136_14_14e_e_16e_3e:C-N-O-Re,136.0,"Invalid WP multiplicities - A14BC16D3_mP136_14_51e_e_61e_8e:C-N-O-Re, expected Re8C51NO61 to be Re3C14NO16" +mp-1199139,ReH12C4NO4,-6.0384180333,-0.6659111485,0.1274910662,0.1274910662,GGA,Pbcm,A4B12CD4E_oP88_57_2e_6e_c_2de_d:C-H-N-O-Re,88.0,"Invalid WP multiplicities - A4B12CD4E_oP88_57_2e_10e_c_3de_d:C-H-N-O-Re, expected ReH20C4NO5 to be ReH12C4NO4" +mp-1202419,CaRe2C5N10O13,-7.8294326429,-0.7097589588000001,0.6178745818,0.6178745818,GGA,P-1,A5BC10D13E2_aP62_2_5i_i_10i_13i_2i:C-Ca-N-O-Re,62.0,A5BC10D13E2_aP62_2_5i_i_10i_13i_2i:C-Ca-N-O-Re +mp-1201346,Na2U2FeH8(C3O7)4,-7.6204926589,-1.76971964,0.0849731026,0.0849731026,GGA+U,P-1,A12BC8D2E28F2_aP53_2_6i_a_4i_i_14i_i:C-Fe-H-Na-O-U,53.0,A12BC8D2E28F2_aP53_2_6i_a_4i_i_14i_i:C-Fe-H-Na-O-U +mp-766626,Li3VPCO7,-7.347832269,-2.4186427577,0.0825467531,0.0825467531,GGA+U,P1,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V,52.0,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V +mp-766599,Li3VPCO7,-7.3449307462,-2.4157412348,0.085448276,0.085448276,GGA+U,P1,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V,52.0,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V +mp-766612,Li3VPCO7,-7.3426521158,-2.4134626044,0.0877269063,0.0877269063,GGA+U,P1,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V,52.0,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V +mp-861720,Li3VPCO7,-7.3497749867,-2.4205854754,0.0806040354,0.0806040354,GGA+U,P1,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V,52.0,AB3C7DE_aP52_1_4a_12a_28a_4a_4a:C-Li-O-P-V +mp-756658,Li3VPCO7,-7.3487259379,-2.4195364265,0.0816530842,0.0816530842,GGA+U,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-V,52.0,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-V +mp-770938,Li3VPCO7,-7.3447005296,-2.4155110182,0.0856784925,0.0856784925,GGA+U,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-V,26.0,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Li-O-P-V +mp-25463,Li3VPCO7,-7.3618365187,-2.4326470073,0.0685425035,0.0685425035,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-P-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Li-O-P-V +mp-766584,Li3VPCO7,-7.3441236094,-2.414934098,0.0862554127,0.0862554127,GGA+U,P2_1/c,AB3C7DE_mP52_14_e_3e_7e_e_e:C-Li-O-P-V,52.0,"Invalid WP multiplicities - AB3C7DE_mP52_14_e_5e_23e_e_e:C-Li-O-P-V, expected Li5VPCO23 to be Li3VPCO7" +mp-766594,Li3VPCO7,-7.3429886152,-2.4137991038,0.0873904069,0.0873904069,GGA+U,P2_1/c,AB3C7DE_mP52_14_e_3e_7e_e_e:C-Li-O-P-V,52.0,"Invalid WP multiplicities - AB3C7DE_mP52_14_e_5e_26e_e_e:C-Li-O-P-V, expected Li5VPCO26 to be Li3VPCO7" +mp-766587,Li3VPCO7,-7.3427807356,-2.4135912242,0.0875982865,0.0875982865,GGA+U,P2_1/c,AB3C7DE_mP52_14_e_3e_7e_e_e:C-Li-O-P-V,52.0,"Invalid WP multiplicities - AB3C7DE_mP52_14_e_5e_23e_e_e:C-Li-O-P-V, expected Li5VPCO23 to be Li3VPCO7" +mp-766585,Li3VPCO7,-7.340771236,-2.4115817246,0.0896077862,0.0896077862,GGA+U,P2_1/c,AB3C7DE_mP52_14_e_3e_7e_e_e:C-Li-O-P-V,52.0,"Invalid WP multiplicities - AB3C7DE_mP52_14_e_5e_26e_e_e:C-Li-O-P-V, expected Li5VPCO26 to be Li3VPCO7" +mp-766677,Li12VNi3P4(CO7)4,-7.0634377885,-2.3248503573,0.0492239756,0.0492239756,GGA+U,Pm,A4B12C3D28E4F_mP52_6_2a2b_2a2b4c_a2b_10a10b4c_2a2b_a:C-Li-Ni-O-P-V,52.0,A4B12C3D28E4F_mP52_6_2a2b_2a2b4c_a2b_10a10b4c_2a2b_a:C-Li-Ni-O-P-V +mp-25421,LiVPCO7,-7.8540710625,-2.3757421612,0.0469784414,0.0469784414,GGA+U,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-V,44.0,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-V +mp-753805,LiVPCO7,-7.8576692043,-2.379340303,0.0433802995,0.0433802995,GGA+U,P2_1/m,ABC7DE_mP22_11_e_e_5ef_e_e:C-Li-O-P-V,44.0,ABC7DE_mP22_11_e_e_5ef_e_e:C-Li-O-P-V +mp-770949,Li2VPCO7,-7.6559319583,-2.4750535599,0.0135459326,0.0135459326,GGA+U,P2_1,AB2C7DE_mP24_4_a_2a_7a_a_a:C-Li-O-P-V,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_4_a_3a_13a_a_a:C-Li-O-P-V, expected Li3VPCO13 to be Li2VPCO7" +mp-25402,Li2VPCO7,-7.6389780263,-2.4580996278,0.0304998647,0.0304998647,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-V +mp-1178087,Li12V3NiP4(CO7)4,-7.25911321,-2.3934577254,0.0655363746,0.0655363746,GGA+U,Pm,A4B12CD28E4F3_mP52_6_2a2b_2a2b4c_a_10a10b4c_2a2b_a2b:C-Li-Ni-O-P-V,52.0,A4B12CD28E4F3_mP52_6_2a2b_2a2b4c_a_10a10b4c_2a2b_a2b:C-Li-Ni-O-P-V +mp-542129,CsAlBP2HO9,-7.4360012003,-2.7653412382,0.0,-0.0067618359,GGA,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:Al-B-Cs-H-O-P,60.0,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:Al-B-Cs-H-O-P +mp-643253,Ba2H6Pt,-4.0226236133,-0.6597970056,0.0,-0.2328782199,GGA,Cmce,A2B6C_oC36_64_d_def_a:Ba-H-Pt,18.0,A2B6C_oC36_64_d_def_a:Ba-H-Pt +mp-720842,BaH8PtC4(NO)4,-6.5220207836,-0.8320520048000001,0.1491793406,0.1491793406,GGA,C2/c,AB4C8D4E4F_mC88_15_e_2f_4f_2f_2f_a:Ba-C-H-N-O-Pt,44.0,AB4C8D4E4F_mC88_15_e_2f_4f_2f_2f_a:Ba-C-H-N-O-Pt +mp-720904,BaH8PtC4(NO)4,-6.4896716759,-0.7997028970000001,0.1815284484,0.1815284484,GGA,C2/c,AB4C8D4E4F_mC88_15_e_2f_4f_2f_2f_a:Ba-C-H-N-O-Pt,44.0,AB4C8D4E4F_mC88_15_e_2f_4f_2f_2f_a:Ba-C-H-N-O-Pt +mp-695996,BaH8C6(N3O4)2,-7.1590076976,-1.1581368184,0.0132844483,0.0132844483,GGA,P-1,AB6C8D6E8_aP58_2_i_6i_8i_6i_8i:Ba-C-H-N-O,58.0,AB6C8D6E8_aP58_2_i_6i_8i_6i_8i:Ba-C-H-N-O +mp-1200998,Ba2H8PtO8,-5.7113946411,-1.6785314174,0.0,-0.0348641311,GGA,Pbca,A2B8C8D_oP76_61_c_4c_4c_a:Ba-H-O-Pt,76.0,A2B8C8D_oP76_61_c_4c_4c_a:Ba-H-O-Pt +mp-1214846,BaH6C2N4O5,-6.6657705907,-1.1762102878,0.1074023864,0.1074023864,GGA,P2_1/c,AB2C6D4E5_mP72_14_e_2e_6e_4e_5e:Ba-C-H-N-O,72.0,AB2C6D4E5_mP72_14_e_2e_6e_4e_5e:Ba-C-H-N-O +mp-1193145,FeH12C4(S2O3)2,-5.7110636122,-0.8101996324,0.1710138858,0.1710138858,GGA+U,P-1,A4BC12D6E4_aP27_2_2i_a_6i_3i_2i:C-Fe-H-O-S,27.0,A4BC12D6E4_aP27_2_2i_a_6i_3i_2i:C-Fe-H-O-S +mp-1182632,FeH36C12S6(BrO2)3,-5.1003905783,-0.4049208721,0.1924548527,0.1924548527,GGA+U,R-3,A3B12CD36E6F6_hR192_148_ac_2f_b_6f_f_f:Br-C-Fe-H-O-S,64.0,A3B12CD36E6F6_hR192_148_ac_2f_b_6f_f_f:Br-C-Fe-H-O-S +mp-505246,NaCo3P3(HO6)2,-7.152687985,-2.1511116601,0.0086229281,0.0086229281,GGA+U,C2/c,A3B2CD12E3_mC84_15_ef_f_e_6f_ef:Co-H-Na-O-P,42.0,A3B2CD12E3_mC84_15_ef_f_e_6f_ef:Co-H-Na-O-P +mp-23823,Co2PH2CO7,-7.1841170992,-1.7786650486000002,0.0223144891,0.0223144891,GGA+U,P2_1/c,AB2C2D7E_mP52_14_e_2e_2e_7e_e:C-Co-H-O-P,52.0,"Invalid WP multiplicities - AB2C2D7E_mP52_14_e_2e_2e_12e_e:C-Co-H-O-P, expected Co2PH2CO12 to be Co2PH2CO7" +mp-698706,NaCoP2HO7,-7.0793670856,-2.3062841584,0.0008346949,-0.0027452645,GGA+U,P1,ABCD7E2_aP72_1_6a_6a_6a_42a_12a:Co-H-Na-O-P,72.0,ABCD7E2_aP72_1_6a_6a_6a_42a_12a:Co-H-Na-O-P +mp-1221116,NaCoP2HO7,-7.0802017804,-2.3071188533,0.0,-0.0035799593,GGA+U,P1,ABCD7E2_aP24_1_2a_2a_2a_14a_4a:Co-H-Na-O-P,48.0,"Invalid WP multiplicities - ABCD7E2_aP24_1_4a_2a_2a_14a_4a:Co-H-Na-O-P, expected NaCo2P2HO7 to be NaCoP2HO7" +mp-40668,NaCoP2HO7,-7.0786255844,-2.3055426572,0.001576196,-0.0020037633,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:Co-H-Na-O-P,48.0,ABCD7E2_aP24_2_i_i_i_7i_2i:Co-H-Na-O-P +mp-1197566,NaCoPH10CO10,-5.9782541073,-1.5421308302,0.0555716255,0.0555716255,GGA+U,P2_1/c,ABC10DE10F_mP96_14_e_e_10e_e_10e_e:C-Co-H-Na-O-P,96.0,ABC10DE10F_mP96_14_e_e_10e_e_10e_e:C-Co-H-Na-O-P +mp-1204708,CoPH3CO4,-6.2344853415,-1.0629634641,0.4505954428,0.4505954428,GGA+U,Pna2_1,ABC3D4E_oP40_33_a_a_3a_4a_a:C-Co-H-O-P,40.0,"Invalid WP multiplicities - ABC3D4E_oP40_62_c_c_c2d_2cd_c:C-Co-H-O-P, expected CoPH5CO4 to be CoPH3CO4" +mp-735568,Na4Co3P4(H3O4)6,-6.1128868691000005,-1.809908332,0.0268024213,0.0268024213,GGA+U,P2_1/c,A3B18C4D24E4_mP106_14_ae_9e_2e_12e_2e:Co-H-Na-O-P,106.0,A3B18C4D24E4_mP106_14_ae_9e_2e_12e_2e:Co-H-Na-O-P +mp-728306,NaCoP3(H4O5)2,-6.10350668,-1.7000525026000002,0.0869744453,0.0869744453,GGA+U,Pbca,AB8CD10E3_oP184_61_c_8c_c_10c_3c:Co-H-Na-O-P,184.0,AB8CD10E3_oP184_61_c_8c_c_10c_3c:Co-H-Na-O-P +mp-758936,Na2CoP4(H4O5)4,-6.114433067,-1.8208523843,0.0287212663,0.0287212663,GGA+U,P2_1/c,AB16C2D20E4_mP86_14_a_8e_e_10e_2e:Co-H-Na-O-P,86.0,"Invalid WP multiplicities - AB16C2D20E4_mP86_14_a_31e_e_37e_3e:Co-H-Na-O-P, expected Na2CoP6(H31O37)2 to be Na2CoP4(H4O5)4" +mp-1221695,Na4Co12P8H4O37,-7.0999431375,-2.0154089643,0.0829537468,0.0829537468,GGA+U,P-1,A12B4C4D37E8_aP65_2_6i_2i_2i_a18i_4i:Co-H-Na-O-P,65.0,"Invalid WP multiplicities - A12B4C4D37E8_aP65_2_12i_4i_4i_a36i_8i:Co-H-Na-O-P, expected Na8Co24P16H8O73 to be Na4Co12P8H4O37" +mp-1203473,Na2CoP4(H2O3)6,-6.2572353062,-1.9015680697,0.0400357913,0.0400357913,GGA+U,P2_1/m,AB12C2D18E4_mP74_11_e_2e5f_2e_4e7f_2f:Co-H-Na-O-P,74.0,AB12C2D18E4_mP74_11_e_2e5f_2e_4e7f_2f:Co-H-Na-O-P +mp-1203914,RbIn(PO4)2,-6.7725056227,-2.2614779139,0.1343249966,0.1343249966,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:In-O-P-Rb,48.0,AB8C2D_mP48_14_e_8e_2e_e:In-O-P-Rb +mp-557952,RbInP2O7,-7.0850253382,-2.613603175,0.0,-0.0461185635,GGA,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:In-O-P-Rb,44.0,"Invalid WP multiplicities - AB7C2D_mP44_14_e_24e_5e_e:In-O-P-Rb, expected RbInP5O24 to be RbInP2O7" +mp-733729,RbInPHO5,-6.4434513931,-2.3021525141,0.0,-0.0155210156,GGA,P4_32_12,ABC5DE_tP72_96_b_2a_5b_b_b:H-In-O-P-Rb,72.0,ABC5DE_tP72_96_b_2a_5b_b_b:H-In-O-P-Rb +mp-766175,RbInBP2HO9,-7.1315733833,-2.5214974478,0.0,-0.0021887208,GGA,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-H-In-O-P-Rb,30.0,"Invalid WP multiplicities - ABCD9E2F_aP30_2_i_i_i_17i_3i_i:B-H-In-O-P-Rb, expected RbInBP3HO17 to be RbInBP2HO9" +mp-557875,Rb3In(PO4)2,-6.5615256015,-2.5548541265,0.0,-0.0383820827,GGA,P2_1/c,AB8C2D3_mP112_14_2e_16e_4e_6e:In-O-P-Rb,112.0,"Invalid WP multiplicities - AB8C2D3_mP112_14_4e_61e_14e_22e:In-O-P-Rb, expected Rb22In4P14O61 to be Rb3In(PO4)2" +mp-774323,Li4MnV3(P2O7)4,-7.8263529989,-2.6931000685,0.0002306273,-0.0005417681,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-887457,Li4MnV3(P2O7)4,-0.2707185325,4.8625343979,7.5558650936,7.5550926983,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-774389,Li4MnV3(P2O7)4,-7.8262087655,-2.6929558351000003,0.0003748607,-0.0003975347,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-775256,Li4MnV3(P2O7)4,-7.8262577602,-2.6930048298,0.0003258659,-0.0004465294,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-777395,Li4MnV3(P2O7)4,-7.8265836261,-2.6933306957000003,0.0,-0.0007723953,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-850462,Li4MnV3(P2O7)4,-7.8264236857,-2.6931707553,0.0001599405,-0.0006124549,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-776134,Li4MnV3(P2O7)4,-7.8259242256,-2.6926712952000003,0.0006594006,-0.0001129948,GGA+U,P1,A4BC28D8E3_aP88_1_8a_2a_56a_16a_6a:Li-Mn-O-P-V,88.0,A4BC28D8E3_aP88_1_8a_2a_56a_16a_6a:Li-Mn-O-P-V +mp-1177349,Li4MnV3(P2O7)4,-7.8264173075,-2.6931643771,0.0001663186,-0.0006060767,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-1177364,Li4MnV3(P2O7)4,-7.8258555166,-2.6926025862,0.0007281095,-4.42858e-05,GGA+U,P1,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V,44.0,A4BC28D8E3_aP44_1_4a_a_28a_8a_3a:Li-Mn-O-P-V +mp-766112,Li4MnV3(P2O7)4,-7.8186827973,-2.6854298669,0.0079008289,0.0071284335,GGA+U,P2_1,A4BC28D8E3_mP88_4_4a_a_28a_8a_3a:Li-Mn-O-P-V,88.0,"Invalid WP multiplicities - A4BC28D8E3_mP88_4_7a_a_55a_15a_5a:Li-Mn-O-P-V, expected Li7MnV5(P3O11)5 to be Li4MnV3(P2O7)4" +mp-780005,Li4MnV3(P2O7)4,-7.825982862,-2.6927299317,0.0006007641,-0.0001716313,GGA+U,P2_1,A4BC28D8E3_mP88_4_4a_a_28a_8a_3a:Li-Mn-O-P-V,88.0,"Invalid WP multiplicities - A4BC28D8E3_mP88_4_7a_a_54a_15a_4a:Li-Mn-O-P-V, expected Li7MnV4(P5O18)3 to be Li4MnV3(P2O7)4" +mp-774458,Li4MnV3(P2O7)4,-7.825786972,-2.6925340417,0.0007966541,2.42587e-05,GGA+U,P2_1,A4BC28D8E3_mP88_4_4a_a_28a_8a_3a:Li-Mn-O-P-V,88.0,"Invalid WP multiplicities - A4BC28D8E3_mP88_4_8a_a_54a_16a_6a:Li-Mn-O-P-V, expected Li8MnV6(P8O27)2 to be Li4MnV3(P2O7)4" +mp-759208,Mn2VNi3(PO4)6,-7.6816801358,-2.2386609468,0.082955315,0.082955315,GGA+U,R3,A2B3C24D6E_hR108_146_2a_3a_8b_2b_a:Mn-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2B3C24D6E_hR108_146_2a_3a_20b_2b_a:Mn-Ni-O-P-V, expected Mn2VNi3(PO10)6 to be Mn2VNi3(PO4)6" +mp-775798,Li4Mn5V(PO4)6,-7.8888158795,-2.5455654268,0.0812763742,0.0812763742,GGA+U,P1,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-V,40.0,A4B5C24D6E_aP40_1_4a_5a_24a_6a_a:Li-Mn-O-P-V +mp-1178090,Li12Mn7V(PO4)12,-7.5636059827,-2.5820337861,0.0115198245,0.0115198245,GGA+U,P1,A12B7C48D12E_aP80_1_12a_7a_48a_12a_a:Li-Mn-O-P-V,80.0,A12B7C48D12E_aP80_1_12a_7a_48a_12a_a:Li-Mn-O-P-V +mp-1178138,Li12Mn7V(PO4)12,-7.5599433295,-2.5783711328,0.0151824777,0.0151824777,GGA+U,P1,A12B7C48D12E_aP160_1_24a_14a_96a_24a_2a:Li-Mn-O-P-V,160.0,A12B7C48D12E_aP160_1_24a_14a_96a_24a_2a:Li-Mn-O-P-V +mp-761266,Li6MnV3(PO4)6,-7.6264557054,-2.6497653351,0.0530444073,0.0530444073,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-777874,Li6MnV3(PO4)6,-7.6588908531,-2.6822004828,0.0206092595,0.0206092595,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-761204,Li6MnV3(PO4)6,-7.6263180226,-2.6496276523,0.05318209,0.05318209,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-761196,Li6MnV3(PO4)6,-7.6245458929,-2.6478555226,0.0549542198,0.0549542198,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-764740,Li6MnV3(PO4)6,-7.6269934591,-2.6503030888,0.0525066535,0.0525066535,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-764743,Li6MnV3(PO4)6,-7.6378726675,-2.6611822972,0.0416274451,0.0416274451,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-764856,Li6MnV3(PO4)6,-7.625733659,-2.6490432887,0.0537664536,0.0537664536,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V +mp-764886,Li6MnV3(PO4)6,-7.6260986015,-2.6494082312,0.0534015111,0.0534015111,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176964,Li6MnV3(PO4)6,-7.6269321787,-2.6502418084,0.0525679339,0.0525679339,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V +mp-1176973,Li6MnV3(PO4)6,-7.638362289,-2.6616719187,0.0411378236,0.0411378236,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V +mp-887337,Li6MnV3(PO4)6,-7.6241848385,-2.6474944682,0.0553152741,0.0553152741,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176976,Li6MnV3(PO4)6,-7.6622616956,-2.6855713253,0.017238417,0.017238417,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176977,Li6MnV3(PO4)6,-7.6613532475,-2.6846628772,0.0181468651,0.0181468651,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176981,Li6MnV3(PO4)6,-7.6229514526,-2.6462610823,0.05654866,0.05654866,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176982,Li6MnV3(PO4)6,-7.6613136244,-2.6846232541,0.0181864883,0.0181864883,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176983,Li6MnV3(PO4)6,-7.6586079081,-2.6819175378,0.0208922045,0.0208922045,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176984,Li6MnV3(PO4)6,-7.6275418945,-2.6508515242,0.0519582181,0.0519582181,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176988,Li6MnV3(PO4)6,-7.6587929417,-2.6821025714,0.0207071709,0.0207071709,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176989,Li6MnV3(PO4)6,-7.6398268427,-2.6631364724,0.0396732699,0.0396732699,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1176992,Li6MnV3(PO4)6,-7.6623469763,-2.6856566059,0.0171531364,0.0171531364,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-887424,Li6MnV3(PO4)6,-7.6583949214,-2.6817045511,0.0211051913,0.0211051913,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-887341,Li6MnV3(PO4)6,-7.6169211269,-2.6402307566000003,0.0625789858,0.0625789858,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177008,Li6MnV3(PO4)6,-7.6210482184,-2.6443578481000003,0.0584518943,0.0584518943,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177013,Li6MnV3(PO4)6,-7.6232069009,-2.6465165306,0.0562932118,0.0562932118,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-777372,Li6MnV3(PO4)6,-7.6380707915,-2.6613804212,0.0414293211,0.0414293211,GGA+U,P1,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V,40.0,A6BC24D6E3_aP40_1_6a_a_24a_6a_3a:Li-Mn-O-P-V +mp-777863,Li6MnV3(PO4)6,-7.6120442013,-2.6353538309,0.0674559114,0.0674559114,GGA+U,P1,A6BC24D6E3_aP160_1_24a_4a_96a_24a_12a:Li-Mn-O-P-V,160.0,A6BC24D6E3_aP160_1_24a_4a_96a_24a_12a:Li-Mn-O-P-V +mp-1177018,Li6MnV3(PO4)6,-7.6224443796,-2.6457540093,0.057055733,0.057055733,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177020,Li6MnV3(PO4)6,-7.6151184361,-2.6384280658,0.0643816765,0.0643816765,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177021,Li6MnV3(PO4)6,-7.6194121729,-2.6427218026,0.0600879398,0.0600879398,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177022,Li6MnV3(PO4)6,-7.6394778494,-2.6627874791,0.0400222633,0.0400222633,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177036,Li6MnV3(PO4)6,-7.6234441496,-2.6467537793,0.056055963,0.056055963,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177039,Li6MnV3(PO4)6,-7.6249601836,-2.6482698133,0.054539929,0.054539929,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177045,Li6MnV3(PO4)6,-7.6285528088,-2.6518624384,0.0509473039,0.0509473039,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-882809,Li6MnV3(PO4)6,-7.6427506071,-2.6660602368,0.0367495055,0.0367495055,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177066,Li6MnV3(PO4)6,-7.6147377794,-2.6380474091,0.0647623333,0.0647623333,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177078,Li6MnV3(PO4)6,-7.660034569,-2.6833441987,0.0194655436,0.0194655436,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-1177110,Li6MnV3(PO4)6,-7.6247051236,-2.6480147533,0.054794989,0.054794989,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-760349,Li6MnV3(PO4)6,-7.6569749275,-2.6802845572000003,0.0225251851,0.0225251851,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-777344,Li6MnV3(PO4)6,-7.6122676006,-2.6355772303,0.067232512,0.067232512,GGA+U,P1,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V,80.0,A6BC24D6E3_aP80_1_12a_2a_48a_12a_6a:Li-Mn-O-P-V +mp-778389,Li6MnV3(PO4)6,-7.6274211864,-2.6507308161000003,0.0520789263,0.0520789263,GGA+U,P-1,A6BC24D6E3_aP80_2_ab5i_i_24i_6i_3i:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_aP80_2_ab10i_i_48i_12i_4i:Li-Mn-O-P-V, expected Li11MnV4(PO4)12 to be Li6MnV3(PO4)6" +mp-775325,Li6MnV3(PO4)6,-7.658762677,-2.6820723067000003,0.0207374356,0.0207374356,GGA+U,P-1,A6BC24D6E3_aP80_2_6i_i_24i_6i_3i:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_aP80_2_12i_i_48i_12i_5i:Li-Mn-O-P-V, expected Li12MnV5(PO4)12 to be Li6MnV3(PO4)6" +mp-1176946,Li6MnV3(PO4)6,-7.626934392,-2.6502440217,0.0525657206,0.0525657206,GGA+U,P-1,A6BC24D6E3_aP80_2_be5i_i_24i_6i_3i:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_aP80_2_be9i_i_47i_11i_5i:Li-Mn-O-P-V, expected Li10MnV5P11O47 to be Li6MnV3(PO4)6" +mp-887374,Li6MnV3(PO4)6,-7.626356036,-2.6496656657,0.0531440766,0.0531440766,GGA+U,P-1,A6BC24D6E3_aP80_2_ab5i_i_24i_6i_3i:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_aP80_2_ab10i_i_47i_11i_5i:Li-Mn-O-P-V, expected Li11MnV5P11O47 to be Li6MnV3(PO4)6" +mp-761259,Li6MnV3(PO4)6,-7.6222416495,-2.6455512792,0.0572584631,0.0572584631,GGA+U,P2,A6BC24D6E3_mP80_3_abcd4e_e_24e_abcd4e_3e:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_3_abcd8e_e_48e_abcd8e_6e:Li-Mn-O-P-V, expected Li10MnV6(P5O24)2 to be Li6MnV3(PO4)6" +mp-777582,Li6MnV3(PO4)6,-7.6540211696,-2.6773307993,0.025478943,0.025478943,GGA+U,P2_1,A6BC24D6E3_mP80_4_6a_a_24a_6a_3a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_4_10a_a_46a_12a_5a:Li-Mn-O-P-V, expected Li10MnV5(P6O23)2 to be Li6MnV3(PO4)6" +mp-777835,Li6MnV3(PO4)6,-7.6628755361,-2.6861851658,0.0166245765,0.0166245765,GGA+U,P2_1,A6BC24D6E3_mP80_4_6a_a_24a_6a_3a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_4_10a_a_46a_12a_5a:Li-Mn-O-P-V, expected Li10MnV5(P6O23)2 to be Li6MnV3(PO4)6" +mp-777844,Li6MnV3(PO4)6,-7.6251171328,-2.6484267624,0.0543829799,0.0543829799,GGA+U,C2,A6BC24D6E3_mC160_5_2a2b4c_c_24c_ab5c_3c:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_2a2b6c_c_46c_ab10c_5c:Li-Mn-O-P-V, expected Li8MnV5P11O46 to be Li6MnV3(PO4)6" +mp-777577,Li6MnV3(PO4)6,-7.6255759173,-2.6488855469,0.0539241954,0.0539241954,GGA+U,C2,A6BC24D6E3_mC160_5_6c_c_24c_ab5c_3c:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_9c_c_47c_ab10c_5c:Li-Mn-O-P-V, expected Li9MnV5P11O47 to be Li6MnV3(PO4)6" +mp-764655,Li6MnV3(PO4)6,-7.5832228366,-2.6065324663,0.096277276,0.096277276,GGA+U,C2,A6BC24D6E3_mC160_5_6c_c_24c_6c_2a2bc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_10c_c_48c_10c_2a2b2c:Li-Mn-O-P-V, expected Li10MnV4(P5O24)2 to be Li6MnV3(PO4)6" +mp-887412,Li6MnV3(PO4)6,-7.6271724447,-2.6504820744,0.0523276679,0.0523276679,GGA+U,C2,A6BC24D6E3_mC160_5_6c_c_24c_ab5c_3c:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_11c_c_47c_ab10c_5c:Li-Mn-O-P-V, expected Li11MnV5P11O47 to be Li6MnV3(PO4)6" +mp-1176971,Li6MnV3(PO4)6,-7.6207374168,-2.6440470464,0.0587626959,0.0587626959,GGA+U,C2,A6BC24D6E3_mC160_5_6c_c_24c_6c_2a2bc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_12c_c_46c_10c_2a2b2c:Li-Mn-O-P-V, expected Li12MnV4(P5O23)2 to be Li6MnV3(PO4)6" +mp-1177094,Li6MnV3(PO4)6,-7.6272244223,-2.6505340519,0.0522756904,0.0522756904,GGA+U,C2,A6BC24D6E3_mC160_5_2a2b4c_c_24c_ab5c_3c:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_5_2a2b7c_c_46c_ab10c_6c:Li-Mn-O-P-V, expected Li9MnV6P11O46 to be Li6MnV3(PO4)6" +mp-1176959,Li6MnV3(PO4)6,-7.6590391657,-2.6823487954000003,0.0204609469,0.0204609469,GGA+U,Pc,A6BC24D6E3_mP80_7_6a_a_24a_6a_3a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_7_12a_a_48a_12a_6a:Li-Mn-O-P-V, expected Li12MnV6(PO4)12 to be Li6MnV3(PO4)6" +mp-1176965,Li6MnV3(PO4)6,-7.6232326971,-2.6465423268,0.0562674155,0.0562674155,GGA+U,Pc,A6BC24D6E3_mP80_7_6a_a_24a_6a_3a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_7_10a_a_32a_6a_3a:Li-Mn-O-P-V, expected Li10MnV3(P3O16)2 to be Li6MnV3(PO4)6" +mp-1176980,Li6MnV3(PO4)6,-7.6635862996,-2.6868959293,0.015913813,0.015913813,GGA+U,Pc,A6BC24D6E3_mP80_7_6a_a_24a_6a_3a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mP80_7_12a_a_48a_12a_6a:Li-Mn-O-P-V, expected Li12MnV6(PO4)12 to be Li6MnV3(PO4)6" +mp-1176955,Li6MnV3(PO4)6,-7.6167898639,-2.6400994936,0.0627102488,0.0627102488,GGA+U,C2/c,A6BC24D6E3_mC160_15_2e2f_a_12f_2e2f_bcd:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_15_4e7f_a_47f_4e5f_b2c2d:Li-Mn-O-P-V, expected Li18MnV5(P7O47)2 to be Li6MnV3(PO4)6" +mp-827710,Li6MnV3(PO4)6,-7.6156183824,-2.6389280121,0.0638817303,0.0638817303,GGA+U,C2/c,A6BC24D6E3_mC160_15_2e2f_c_12f_3f_abd:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_mC160_15_4e5f_a_45f_10f_b2cd:Li-Mn-O-P-V, expected Li14MnV4(P2O9)10 to be Li6MnV3(PO4)6" +mp-778215,Li6MnV3(PO4)6,-7.6493990065,-2.6727086362,0.0301011061,0.0301011061,GGA+U,R3,A6BC24D6E3_hR120_146_2b_a_8b_2b_3a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A6BC24D6E3_hR120_146_2b_a_20b_2b_3a:Li-Mn-O-P-V, expected Li6MnV3(PO10)6 to be Li6MnV3(PO4)6" +mp-777761,Li6MnV3(PO4)6,-7.6545214885,-2.6778311182,0.0249786241,0.0249786241,GGA+U,R3,A6BC24D6E3_hR120_146_2b_a_8b_2b_3a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A6BC24D6E3_hR120_146_2b_a_20b_2b_3a:Li-Mn-O-P-V, expected Li6MnV3(PO10)6 to be Li6MnV3(PO4)6" +mp-775157,Li6MnV3(PO4)6,-7.6108049441,-2.6341145738,0.0686951685,0.0686951685,GGA+U,R-3c,A6BC24D6E3_hR240_167_2e_b_4f_f_d:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6BC24D6E3_hR240_167_7e_b_39f_f_d:Li-Mn-O-P-V, expected Li21MnV3(PO39)6 to be Li6MnV3(PO4)6" +mp-867954,Mn3VNi2(PO4)6,-7.8788061508,-2.3418458893,0.0466775298,0.0466775298,GGA+U,R3,A3B2C24D6E_hR108_146_3a_2a_8b_2b_a:Mn-Ni-O-P-V,36.0,"Invalid WP multiplicities - A3B2C24D6E_hR108_146_3a_2a_20b_2b_a:Mn-Ni-O-P-V, expected Mn3VNi2(PO10)6 to be Mn3VNi2(PO4)6" +mp-768721,Li4MnV(PO4)3,-7.4984767326,-2.6660107858,0.0361203002,0.0361203002,GGA+U,P1,A4BC12D3E_aP42_1_8a_2a_24a_6a_2a:Li-Mn-O-P-V,42.0,A4BC12D3E_aP42_1_8a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768583,Li4MnV(PO4)3,-7.5064550807,-2.6739891339,0.0281419521,0.0281419521,GGA+U,P-1,A4BC12D3E_aP42_2_4i_i_12i_3i_i:Li-Mn-O-P-V,42.0,"Invalid WP multiplicities - A4BC12D3E_aP42_2_7i_i_23i_5i_i:Li-Mn-O-P-V, expected Li7MnVP5O23 to be Li4MnV(PO4)3" +mp-768584,Li4MnV(PO4)3,-7.5088421836,-2.6763762367,0.0257548493,0.0257548493,GGA+U,P-1,A4BC12D3E_aP42_2_4i_i_12i_3i_i:Li-Mn-O-P-V,42.0,"Invalid WP multiplicities - A4BC12D3E_aP42_2_7i_i_23i_5i_i:Li-Mn-O-P-V, expected Li7MnVP5O23 to be Li4MnV(PO4)3" +mp-803041,Li4MnV(PO4)3,-1.5913597371,3.2411062097,5.9432372957,5.9432372957,GGA+U,P-1,A4BC12D3E_aP42_2_4i_i_12i_3i_i:Li-Mn-O-P-V,42.0,"Invalid WP multiplicities - A4BC12D3E_aP42_2_7i_i_23i_5i_i:Li-Mn-O-P-V, expected Li7MnVP5O23 to be Li4MnV(PO4)3" +mp-752805,Li6Mn3V(PO4)6,-7.5380134447,-2.5574176133,0.0620360259,0.0620360259,GGA+U,P1,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-V,40.0,A6B3C24D6E_aP40_1_6a_3a_24a_6a_a:Li-Mn-O-P-V +mp-1177033,Li6Mn3V(PO4)6,-7.5719357616,-2.5913399302,0.028113709,0.028113709,GGA+U,P1,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V,80.0,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V +mp-1177037,Li6Mn3V(PO4)6,-7.5848145291,-2.6042186977,0.0152349415,0.0152349415,GGA+U,P1,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V,80.0,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V +mp-1177040,Li6Mn3V(PO4)6,-7.5792541486,-2.5986583172,0.020795322,0.020795322,GGA+U,P1,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V,80.0,A6B3C24D6E_aP80_1_12a_6a_48a_12a_2a:Li-Mn-O-P-V +mp-1177007,Li6Mn3V(PO4)6,-7.5799838167,-2.5993879853,0.0200656539,0.0200656539,GGA+U,P2_1,A6B3C24D6E_mP80_4_6a_3a_24a_6a_a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6B3C24D6E_mP80_4_10a_3a_46a_10a_a:Li-Mn-O-P-V, expected Li10Mn3V(P5O23)2 to be Li6Mn3V(PO4)6" +mp-1177014,Li6Mn3V(PO4)6,-7.5871733406,-2.6065775092,0.01287613,0.01287613,GGA+U,P2_1,A6B3C24D6E_mP80_4_6a_3a_24a_6a_a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A6B3C24D6E_mP80_4_10a_3a_46a_10a_a:Li-Mn-O-P-V, expected Li10Mn3V(P5O23)2 to be Li6Mn3V(PO4)6" +mp-780716,Li8Mn7V(PO4)12,-7.6488633941,-2.5055728116,0.0158613995,0.0158613995,GGA+U,P1,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-V,76.0,A8B7C48D12E_aP76_1_8a_7a_48a_12a_a:Li-Mn-O-P-V +mp-850939,Li2MnV(P2O7)2,-7.8005866586,-2.6655585187,0.0,-0.0106759233,GGA+U,P1,A2BC14D4E_aP22_1_2a_a_14a_4a_a:Li-Mn-O-P-V,22.0,A2BC14D4E_aP22_1_2a_a_14a_4a_a:Li-Mn-O-P-V +mp-780329,Li2MnV(P2O7)2,-7.7881432889,-2.6531151489,0.0124433698,0.0017674465,GGA+U,P1,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V,44.0,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-778108,Li2MnV(P2O7)2,-7.7884752814,-2.6534471414,0.0121113773,0.001435454,GGA+U,P1,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V,44.0,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-778486,Li2MnV(P2O7)2,-7.7883000041,-2.6532718641,0.0122866545,0.0016107312,GGA+U,P1,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V,44.0,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-807421,Li2MnV(P2O7)2,-0.1929964802,4.9420316598,7.6075901784,7.5969142551,GGA+U,P1,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V,44.0,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-778841,Li2MnV(P2O7)2,-7.7886160605,-2.6535879205,0.0119705982,0.0012946749,GGA+U,P1,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V,66.0,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-761238,Li2MnV(P2O7)2,-7.7889594298,-2.6539312899,0.0116272288,0.0009513055,GGA+U,P1,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V,66.0,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-1177896,Li2MnV(P2O7)2,-7.7883557648,-2.6533276249,0.0122308938,0.0015549705,GGA+U,P1,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V,66.0,A2BC14D4E_aP66_1_6a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-1177932,Li2MnV(P2O7)2,-7.7881727623,-2.6531446223,0.0124138964,0.0017379731,GGA+U,P1,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V,44.0,A2BC14D4E_aP44_1_4a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-774309,Li2MnV(P2O7)2,-7.788173053399999,-2.6531449134,0.0124136052,0.0017376819,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_2a_a_28a_6a_a:Li-Mn-O-P-V, expected Li2MnV(P3O14)2 to be Li2MnV(P2O7)2" +mp-774358,Li2MnV(P2O7)2,-7.7884271118,-2.6533989718,0.0121595468,0.0014836235,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_2a_a_26a_6a_a:Li-Mn-O-P-V, expected Li2MnV(P3O13)2 to be Li2MnV(P2O7)2" +mp-761240,Li2MnV(P2O7)2,-7.7886317282,-2.6536035882,0.0119549305,0.0012790071,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_2a_a_26a_6a_a:Li-Mn-O-P-V, expected Li2MnV(P3O13)2 to be Li2MnV(P2O7)2" +mp-777803,Li2MnV(P2O7)2,-7.7885223475,-2.6534942075,0.0120643111,0.0013883878,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_3a_a_27a_7a_a:Li-Mn-O-P-V, expected Li3MnVP7O27 to be Li2MnV(P2O7)2" +mp-778200,Li2MnV(P2O7)2,-7.7873969191,-2.6523687791,0.0131897395,0.0025138162,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_3a_a_27a_7a_a:Li-Mn-O-P-V, expected Li3MnVP7O27 to be Li2MnV(P2O7)2" +mp-779885,Li2MnV(P2O7)2,-7.7891617066,-2.6541335666,0.011424952,0.0007490287,GGA+U,P2_1,A2BC14D4E_mP44_4_2a_a_14a_4a_a:Li-Mn-O-P-V,44.0,"Invalid WP multiplicities - A2BC14D4E_mP44_4_3a_a_27a_7a_a:Li-Mn-O-P-V, expected Li3MnVP7O27 to be Li2MnV(P2O7)2" +mp-757262,Li2MnV2(PO4)3,-7.9356460168,-2.5982537557,0.0604952441,0.0604952441,GGA+U,C2,A2BC12D3E2_mC80_5_abc_c_12c_ab2c_2c:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A2BC12D3E2_mC80_5_abc_c_22c_ab2c_2c:Li-Mn-O-P-V, expected Li2MnV2P3O22 to be Li2MnV2(PO4)3" +mp-850951,Li3MnV(P2O7)2,-7.695284455,-2.7005217617,0.0,-0.005594766,GGA+U,P1,A3BC14D4E_aP23_1_3a_a_14a_4a_a:Li-Mn-O-P-V,46.0,A3BC14D4E_aP23_1_3a_a_14a_4a_a:Li-Mn-O-P-V +mp-768550,Li2MnV(PO4)3,-7.7260767674,-2.5858694437,0.0257664767,0.0257664767,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768596,Li2MnV(PO4)3,-7.7243838671,-2.5841765434,0.0274593769,0.0274593769,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-779088,Li2MnV(PO4)3,-7.7311012561,-2.5908939323,0.020741988,0.020741988,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768548,Li2MnV(PO4)3,-7.738305365,-2.5980980413,0.013537879,0.013537879,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768567,Li2MnV(PO4)3,-7.7234640587,-2.583256735,0.0283791854,0.0283791854,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768549,Li2MnV(PO4)3,-7.7370058682,-2.5967985445,0.0148373759,0.0148373759,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177895,Li2MnV(PO4)3,-7.72888444,-2.5886771163,0.022958804,0.022958804,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177909,Li2MnV(PO4)3,-7.7287610834,-2.5885537597,0.0230821606,0.0230821606,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177959,Li2MnV(PO4)3,-7.725719340499999,-2.5855120168,0.0261239035,0.0261239035,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177980,Li2MnV(PO4)3,-7.7380395318,-2.5978322081,0.0138037122,0.0138037122,GGA+U,P1,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V,38.0,A2BC12D3E_aP38_1_4a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-803159,Li2MnV(PO4)3,-2.3500085395,2.7901987842,5.4018347046,5.4018347046,GGA+U,P-1,A2BC12D3E_aP38_2_2i_i_12i_3i_i:Li-Mn-O-P-V,38.0,"Invalid WP multiplicities - A2BC12D3E_aP38_2_3i_i_23i_5i_i:Li-Mn-O-P-V, expected Li3MnVP5O23 to be Li2MnV(PO4)3" +mp-768547,Li2MnV(PO4)3,-7.7405740539,-2.6003667302,0.0112691901,0.0112691901,GGA+U,P-1,A2BC12D3E_aP38_2_2i_i_12i_3i_i:Li-Mn-O-P-V,38.0,"Invalid WP multiplicities - A2BC12D3E_aP38_2_3i_i_23i_5i_i:Li-Mn-O-P-V, expected Li3MnVP5O23 to be Li2MnV(PO4)3" +mp-768580,Li2MnV(PO4)3,-7.7271090837,-2.58690176,0.0247341604,0.0247341604,GGA+U,P-1,A2BC12D3E_aP38_2_2i_i_12i_3i_i:Li-Mn-O-P-V,38.0,"Invalid WP multiplicities - A2BC12D3E_aP38_2_3i_i_23i_5i_i:Li-Mn-O-P-V, expected Li3MnVP5O23 to be Li2MnV(PO4)3" +mp-770417,Li4Mn2VNi3(PO4)6,-7.501883947,-2.4122743902,0.0736676031,0.0736676031,GGA+U,P1,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-V,40.0,A4B2C3D24E6F_aP40_1_4a_2a_3a_24a_6a_a:Li-Mn-Ni-O-P-V +mp-757332,Li4Mn3V(PO4)4,-7.8123171771,-2.633536005,0.0031684191,0.0031684191,GGA+U,Pm,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-V,28.0,A4B3C16D4E_mP28_6_2c_a2b_4a4b4c_2a2b_a:Li-Mn-O-P-V +mp-779342,Li12MnV7(PO4)12,-7.6810045914,-2.7052905863000003,0.0104621174,0.0104621174,GGA+U,P1,A12BC48D12E7_aP80_1_12a_a_48a_12a_7a:Li-Mn-O-P-V,80.0,A12BC48D12E7_aP80_1_12a_a_48a_12a_7a:Li-Mn-O-P-V +mp-862462,Li2MnV4NiO12,-7.9734206155,-2.2506262895,0.0636277267,0.0636277267,GGA+U,C2,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Li-Mn-Ni-O-V,20.0,"Invalid WP multiplicities - A2BCD12E4_mC40_5_ab_a_b_12c_4c:Li-Mn-Ni-O-V, expected Li2MnV8NiO24 to be Li2MnV4NiO12" +mp-887443,Li12Mn3V5(PO4)12,-7.6442554639,-2.6665887283,0.0232780526,0.0232780526,GGA+U,P1,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V,80.0,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V +mp-779301,Li12Mn3V5(PO4)12,-7.6424942006,-2.664827465,0.0250393158,0.0250393158,GGA+U,P1,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V,80.0,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V +mp-779437,Li12Mn3V5(PO4)12,-7.6341052271,-2.6564384915,0.0334282893,0.0334282893,GGA+U,P1,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V,80.0,A12B3C48D12E5_aP80_1_12a_3a_48a_12a_5a:Li-Mn-O-P-V +mp-757080,MnV3Ni2(PO4)6,-7.9964232772,-2.4638024169,0.0299015589,0.0299015589,GGA+U,R3,AB2C24D6E3_hR108_146_a_2a_8b_2b_3a:Mn-Ni-O-P-V,36.0,"Invalid WP multiplicities - AB2C24D6E3_hR108_146_a_2a_20b_2b_3a:Mn-Ni-O-P-V, expected MnV3Ni2(PO10)6 to be MnV3Ni2(PO4)6" +mp-764622,LiMnV(P2O7)2,-7.8811680735,-2.5925158729,0.0034614098,0.0033560445,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-764462,LiMnV(P2O7)2,-7.8811726433,-2.5925204427,0.00345684,0.0033514746,GGA+U,P1,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Li-Mn-O-P-V,42.0,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-759232,LiMnV(P2O7)2,-7.8846294833,-2.5959772827,0.0,-0.0001053654,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Li-Mn-O-P-V,42.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Li-Mn-O-P-V +mp-764484,LiMnV(P2O7)2,-7.8808959257,-2.5922437251,0.0037335576,0.0036281923,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-764480,LiMnV(P2O7)2,-7.8807620419,-2.5921098413,0.0038674414,0.0037620761,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V +mp-764481,LiMnV(P2O7)2,-7.8804724323,-2.5918202316,0.0041570511,0.0040516857,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V +mp-764488,LiMnV(P2O7)2,-7.8808603677,-2.5922081671,0.0037691156,0.0036637502,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V +mp-761236,LiMnV(P2O7)2,-7.8809687057,-2.5923165051,0.0036607776,0.0035554123,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Li-Mn-O-P-V +mp-1176615,LiMnV(P2O7)2,-7.8815181226,-2.592865922,0.0031113607,0.0030059954,GGA+U,P1,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Li-Mn-O-P-V,42.0,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Li-Mn-O-P-V +mp-1176650,LiMnV(P2O7)2,-7.8810190112,-2.5923668106,0.0036104721,0.0035051068,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Li-Mn-O-P-V +mp-768587,Li3MnV(PO4)3,-7.603213835,-2.6245707341,0.0462017387,0.0462017387,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-775435,Li3MnV(PO4)3,-7.5919165008,-2.6132733999,0.0574990729,0.0574990729,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-779367,Li3MnV(PO4)3,-7.573658784,-2.5950156831,0.0757567897,0.0757567897,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-779368,Li3MnV(PO4)3,-7.5825798064,-2.6039367055,0.0668357673,0.0668357673,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768564,Li3MnV(PO4)3,-7.613697815,-2.6350547141,0.0357177587,0.0357177587,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-777839,Li3MnV(PO4)3,-7.5804993927,-2.6018562919,0.0689161809,0.0689161809,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778556,Li3MnV(PO4)3,-7.5919780985,-2.6133349976,0.0574374752,0.0574374752,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778508,Li3MnV(PO4)3,-7.5808822286,-2.6022391278,0.0685333451,0.0685333451,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-780675,Li3MnV(PO4)3,-7.6175537631,-2.6389106623,0.0318618106,0.0318618106,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-775267,Li3MnV(PO4)3,-7.6163769803,-2.6377338794,0.0330385934,0.0330385934,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-775374,Li3MnV(PO4)3,-7.5927044267,-2.6140613259,0.0567111469,0.0567111469,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177560,Li3MnV(PO4)3,-7.6187997849,-2.640156684,0.0306157888,0.0306157888,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778471,Li3MnV(PO4)3,-7.6183540745,-2.6397109736,0.0310614992,0.0310614992,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177562,Li3MnV(PO4)3,-7.5862091224,-2.6075660215000003,0.0632064513,0.0632064513,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177563,Li3MnV(PO4)3,-7.5979714029,-2.619328302,0.0514441708,0.0514441708,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177564,Li3MnV(PO4)3,-7.618113162,-2.6394700611,0.0313024117,0.0313024117,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-779038,Li3MnV(PO4)3,-7.6201366111,-2.6414935103,0.0292789626,0.0292789626,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778531,Li3MnV(PO4)3,-7.5801788836,-2.6015357828,0.0692366901,0.0692366901,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768577,Li3MnV(PO4)3,-7.6022145732,-2.6235714724,0.0472010004,0.0472010004,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177571,Li3MnV(PO4)3,-7.5943116277,-2.6156685269,0.0551039459,0.0551039459,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177572,Li3MnV(PO4)3,-7.6167802581,-2.6381371573,0.0326353156,0.0326353156,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177573,Li3MnV(PO4)3,-7.5963607648,-2.6177176639,0.0530548089,0.0530548089,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768560,Li3MnV(PO4)3,-7.6019041035,-2.6232610026,0.0475114702,0.0475114702,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-777866,Li3MnV(PO4)3,-7.5742671569,-2.595624056,0.0751484168,0.0751484168,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177577,Li3MnV(PO4)3,-7.6170286124,-2.6383855115,0.0323869613,0.0323869613,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-761261,Li3MnV(PO4)3,-7.5865388284,-2.6078957275,0.0628767453,0.0628767453,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177579,Li3MnV(PO4)3,-7.6203894366,-2.6417463358,0.0290261371,0.0290261371,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177580,Li3MnV(PO4)3,-7.593180886,-2.6145377851,0.0562346877,0.0562346877,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778303,Li3MnV(PO4)3,-7.5962171078,-2.6175740069,0.0531984659,0.0531984659,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177583,Li3MnV(PO4)3,-7.5843963145,-2.6057532136,0.0650192592,0.0650192592,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177585,Li3MnV(PO4)3,-7.5882676876,-2.6096245868,0.0611478861,0.0611478861,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177586,Li3MnV(PO4)3,-7.6188581884,-2.6402150875,0.0305573853,0.0305573853,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177587,Li3MnV(PO4)3,-7.5983144055,-2.6196713046,0.0511011682,0.0511011682,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177590,Li3MnV(PO4)3,-7.5991816835,-2.6205385826,0.0502338902,0.0502338902,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177591,Li3MnV(PO4)3,-7.5850012665,-2.6063581656,0.0644143072,0.0644143072,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177599,Li3MnV(PO4)3,-7.5830789301,-2.6044358293,0.0663366436,0.0663366436,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177600,Li3MnV(PO4)3,-7.5899939109,-2.61135081,0.0594216628,0.0594216628,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177601,Li3MnV(PO4)3,-7.6252136743,-2.6465705734,0.0242018994,0.0242018994,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177602,Li3MnV(PO4)3,-7.5991162234,-2.6204731225,0.0502993503,0.0502993503,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177603,Li3MnV(PO4)3,-7.5819847626,-2.6033416618,0.0674308111,0.0674308111,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177614,Li3MnV(PO4)3,-7.5866334519,-2.607990351,0.0627821218,0.0627821218,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177616,Li3MnV(PO4)3,-7.6210653764,-2.6424222755,0.0283501973,0.0283501973,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177619,Li3MnV(PO4)3,-7.5868761971,-2.6082330963,0.0625393766,0.0625393766,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768561,Li3MnV(PO4)3,-7.6129621117,-2.6343190109,0.0364534619,0.0364534619,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177636,Li3MnV(PO4)3,-7.5926470936,-2.6140039928,0.0567684801,0.0567684801,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768565,Li3MnV(PO4)3,-7.6055267605,-2.6268836596,0.0438888132,0.0438888132,GGA+U,P1,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V,40.0,A3BC12D3E_aP40_1_6a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1177669,Li3MnV(PO4)3,-7.6252495015,-2.6466064006,0.0241660722,0.0241660722,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177675,Li3MnV(PO4)3,-7.5960825941,-2.6174394933,0.0533329796,0.0533329796,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-1177684,Li3MnV(PO4)3,-7.6144115051,-2.6357684043000003,0.0350040686,0.0350040686,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-778607,Li3MnV(PO4)3,-7.6119432009,-2.6333001,0.0374723728,0.0374723728,GGA+U,P1,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V,80.0,A3BC12D3E_aP80_1_12a_4a_48a_12a_4a:Li-Mn-O-P-V +mp-768551,Li3MnV(PO4)3,-7.6043158935,-2.6256727926,0.0450996802,0.0450996802,GGA+U,P-1,A3BC12D3E_aP40_2_3i_i_12i_3i_i:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_aP40_2_5i_i_23i_5i_i:Li-Mn-O-P-V, expected Li5MnVP5O23 to be Li3MnV(PO4)3" +mp-777468,Li3MnV(PO4)3,-7.5900307848,-2.6113876839,0.0593847889,0.0593847889,GGA+U,P-1,A3BC12D3E_aP40_2_be2i_i_12i_3i_i:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_aP40_2_be3i_i_23i_5i_i:Li-Mn-O-P-V, expected Li4MnVP5O23 to be Li3MnV(PO4)3" +mp-768531,Li3MnV(PO4)3,-7.6232856135,-2.6446425126,0.0261299602,0.0261299602,GGA+U,P-1,A3BC12D3E_aP40_2_3i_i_12i_3i_i:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_aP40_2_5i_i_23i_5i_i:Li-Mn-O-P-V, expected Li5MnVP5O23 to be Li3MnV(PO4)3" +mp-768834,Li3MnV(PO4)3,-7.5972200003,-2.6185768994,0.0521955734,0.0521955734,GGA+U,P-1,A3BC12D3E_aP40_2_3i_i_12i_3i_i:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_aP40_2_5i_i_23i_5i_i:Li-Mn-O-P-V, expected Li5MnVP5O23 to be Li3MnV(PO4)3" +mp-887423,Li3MnV(PO4)3,-7.593224773,-2.6145816721,0.0561908007,0.0561908007,GGA+U,P-1,A3BC12D3E_aP40_2_ad2i_i_12i_3i_i:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_aP40_2_ad4i_i_23i_5i_i:Li-Mn-O-P-V, expected Li5MnVP5O23 to be Li3MnV(PO4)3" +mp-1177542,Li3MnV(PO4)3,-7.6176695441,-2.6390264433,0.0317460296,0.0317460296,GGA+U,P2_1,A3BC12D3E_mP80_4_6a_2a_24a_6a_2a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mP80_4_10a_4a_46a_12a_4a:Li-Mn-O-P-V, expected Li5Mn2V2P6O23 to be Li3MnV(PO4)3" +mp-1177546,Li3MnV(PO4)3,-7.6230667116,-2.6444236108,0.0263488621,0.0263488621,GGA+U,P2_1,A3BC12D3E_mP80_4_6a_2a_24a_6a_2a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mP80_4_10a_4a_46a_12a_4a:Li-Mn-O-P-V, expected Li5Mn2V2P6O23 to be Li3MnV(PO4)3" +mp-777834,Li3MnV(PO4)3,-7.5848801535,-2.6062370526,0.0645354202,0.0645354202,GGA+U,C2,A3BC12D3E_mC80_5_3c_c_12c_ab2c_c:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_5_6c_c_22c_ab4c_c:Li-Mn-O-P-V, expected Li6MnVP5O22 to be Li3MnV(PO4)3" +mp-780477,Li3MnV(PO4)3,-7.5905177602,-2.6118746594,0.0588978134,0.0588978134,GGA+U,C2,A3BC12D3E_mC80_5_2a2bc_c_12c_ab2c_c:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_5_2a2bc_c_22c_ab4c_c:Li-Mn-O-P-V, expected Li3MnVP5O22 to be Li3MnV(PO4)3" +mp-779876,Li3MnV(PO4)3,-7.5789269686,-2.6002838678,0.0704886051,0.0704886051,GGA+U,C2,A3BC12D3E_mC160_5_6c_abc_24c_6c_abc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_5_12c_ab2c_46c_10c_abc:Li-Mn-O-P-V, expected Li12Mn3V2(P5O23)2 to be Li3MnV(PO4)3" +mp-774311,Li3MnV(PO4)3,-7.5791564641,-2.6005133633,0.0702591096,0.0702591096,GGA+U,C2,A3BC12D3E_mC160_5_6c_2ac_24c_6c_2bc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_5_12c_2a2c_46c_10c_2b2c:Li-Mn-O-P-V, expected Li12Mn3V3(P5O23)2 to be Li3MnV(PO4)3" +mp-774954,Li3MnV(PO4)3,-7.5784439019,-2.599800801,0.0709716718,0.0709716718,GGA+U,C2,A3BC12D3E_mC160_5_6c_abc_24c_6c_abc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_5_12c_ab2c_46c_10c_ab2c:Li-Mn-O-P-V, expected Li12Mn3V3(P5O23)2 to be Li3MnV(PO4)3" +mp-887315,Li3MnV(PO4)3,-7.5778200157,-2.5991769149,0.0715955579,0.0715955579,GGA+U,C2,A3BC12D3E_mC160_5_6c_2ac_24c_6c_2bc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_5_10c_2a2c_48c_10c_2b2c:Li-Mn-O-P-V, expected Li10Mn3V3(P5O24)2 to be Li3MnV(PO4)3" +mp-777809,Li3MnV(PO4)3,-7.580725747,-2.6020826461,0.0686898267,0.0686898267,GGA+U,C2,A3BC12D3E_mC160_5_6c_abc_24c_6c_abc:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_5_10c_ab2c_48c_10c_ab2c:Li-Mn-O-P-V, expected Li10Mn3V3(P5O24)2 to be Li3MnV(PO4)3" +mp-775639,Li3MnV(PO4)3,-7.5782450419,-2.599601941,0.0711705318,0.0711705318,GGA+U,Pc,A3BC12D3E_mP80_7_6a_2a_24a_6a_2a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mP80_7_10a_2a_32a_6a_2a:Li-Mn-O-P-V, expected Li5MnVP3O16 to be Li3MnV(PO4)3" +mp-1177559,Li3MnV(PO4)3,-7.5868860642,-2.6082429634,0.0625295094,0.0625295094,GGA+U,Pc,A3BC12D3E_mP80_7_6a_2a_24a_6a_2a:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mP80_7_10a_2a_32a_6a_2a:Li-Mn-O-P-V, expected Li5MnVP3O16 to be Li3MnV(PO4)3" +mp-777828,Li3MnV(PO4)3,-7.5967117475,-2.6180686466000003,0.0527038262,0.0527038262,GGA+U,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_5a_a_24a_5a_a:Li-Mn-O-P-V, expected Li5MnVP5O24 to be Li3MnV(PO4)3" +mp-778002,Li3MnV(PO4)3,-7.5866860715,-2.6080429706,0.0627295022,0.0627295022,GGA+U,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_6a_a_24a_6a_a:Li-Mn-O-P-V, expected Li6MnV(PO4)6 to be Li3MnV(PO4)3" +mp-779239,Li3MnV(PO4)3,-7.5920812607,-2.6134381599000003,0.0573343129,0.0573343129,GGA+U,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_5a_a_24a_4a_a:Li-Mn-O-P-V, expected Li5MnV(PO6)4 to be Li3MnV(PO4)3" +mp-777882,Li3MnV(PO4)3,-7.5998219127,-2.6211788119,0.0495936609,0.0495936609,GGA+U,Cc,A3BC12D3E_mC80_9_3a_a_12a_3a_a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_mC80_9_5a_a_24a_5a_a:Li-Mn-O-P-V, expected Li5MnVP5O24 to be Li3MnV(PO4)3" +mp-829755,Li3MnV(PO4)3,-7.5625976057,-2.5839545049,0.0868179679,0.0868179679,GGA+U,C2/c,A3BC12D3E_mC160_15_2e2f_ab_12f_3f_cd:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_15_3e4f_2a2b_45f_7f_cd:Li-Mn-O-P-V, expected Li11Mn4V2(P7O45)2 to be Li3MnV(PO4)3" +mp-764911,Li3MnV(PO4)3,-7.5760976073,-2.5974545064,0.0733179664,0.0733179664,GGA+U,C2/c,A3BC12D3E_mC160_15_2e2f_ac_12f_3f_bd:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_mC160_15_4e7f_2a2c_45f_8f_bd:Li-Mn-O-P-V, expected Li9Mn2VP8O45 to be Li3MnV(PO4)3" +mp-778016,Li3MnV(PO4)3,-7.5611025504,-2.5824594495,0.0883130233,0.0883130233,GGA+U,Fddd,A3BC12D3E_oF320_70_abh_c_6h_eh_d:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_oF320_70_2a2b5h_c_43h_3e2h_d:Li-Mn-O-P-V, expected Li12MnVP7O86 to be Li3MnV(PO4)3" +mp-1177608,Li3MnV(PO4)3,-7.5769705406,-2.5983274398,0.0724450331,0.0724450331,GGA+U,I4_1/a,A3BC12D3E_tI160_88_ef_c_6f_abf_d:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_tI160_88_4e5f_c_41f_2a2b3f_d:Li-Mn-O-P-V, expected Li14MnV(P4O41)2 to be Li3MnV(PO4)3" +mp-774297,Li3MnV(PO4)3,-7.615773207,-2.6371301061,0.0336423667,0.0336423667,GGA+U,R3,A3BC12D3E_hR120_146_2b_2a_8b_2b_2a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_hR120_146_2b_2a_20b_2b_2a:Li-Mn-O-P-V, expected Li3MnV(PO10)3 to be Li3MnV(PO4)3" +mp-777816,Li3MnV(PO4)3,-7.6039570145,-2.6253139136,0.0454585592,0.0454585592,GGA+U,R3,A3BC12D3E_hR120_146_2b_2a_8b_2b_2a:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_hR120_146_2b_2a_20b_2b_2a:Li-Mn-O-P-V, expected Li3MnV(PO10)3 to be Li3MnV(PO4)3" +mp-778000,Li3MnV(PO4)3,-7.6347828815,-2.6561397806,0.0146326922,0.0146326922,GGA+U,R-3,A3BC12D3E_hR120_148_f_c_4f_f_c:Li-Mn-O-P-V,40.0,"Invalid WP multiplicities - A3BC12D3E_hR120_148_f_c_19f_f_c:Li-Mn-O-P-V, expected Li3MnV(PO19)3 to be Li3MnV(PO4)3" +mp-792807,Li3MnV(PO4)3,-7.5742254944,-2.5955823935,0.0751900793,0.0751900793,GGA+U,R-3,A3BC12D3E_hR240_148_2f_ad_8f_2f_be:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_hR240_148_7f_a2d_35f_7f_b2e:Li-Mn-O-P-V, expected Li6MnV(PO5)6 to be Li3MnV(PO4)3" +mp-777545,Li3MnV(PO4)3,-7.5639009416,-2.5852578408,0.0855146321,0.0855146321,GGA+U,Ia-3,A3BC12D3E_cI160_206_d_a_2e_d_b:Li-Mn-O-P-V,80.0,"Invalid WP multiplicities - A3BC12D3E_cI160_206_d_a_27e_d_b:Li-Mn-O-P-V, expected Li3MnV(PO54)3 to be Li3MnV(PO4)3" +mp-774572,Li4Mn3V3(NiO8)2,-7.5594044104,-2.0922348285,0.0801758148,0.0801758148,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Ni-O-V,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Ni-O-V, expected Li4Mn3V3(NiO10)2 to be Li4Mn3V3(NiO8)2" +mp-774360,Mn2V3Ni(PO4)6,-8.1667596656,-2.5401977327000003,0.0078029247,0.0078029247,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Mn-Ni-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Mn-Ni-O-P-V, expected Mn2V3Ni(PO10)6 to be Mn2V3Ni(PO4)6" +mp-768529,LiMnV(PO4)3,-7.8195346786,-2.4998115517,0.0412224142,0.0412224142,GGA+U,P1,ABC12D3E_aP36_1_2a_2a_24a_6a_2a:Li-Mn-O-P-V,36.0,ABC12D3E_aP36_1_2a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-1176624,LiMnV(PO4)3,-7.819424878299999,-2.4997017515,0.0413322144,0.0413322144,GGA+U,P1,ABC12D3E_aP36_1_2a_2a_24a_6a_2a:Li-Mn-O-P-V,36.0,ABC12D3E_aP36_1_2a_2a_24a_6a_2a:Li-Mn-O-P-V +mp-768544,LiMnV(PO4)3,-7.824478026099999,-2.5047548992,0.0362790667,0.0362790667,GGA+U,P-1,ABC12D3E_aP36_2_i_i_12i_3i_i:Li-Mn-O-P-V,36.0,"Invalid WP multiplicities - ABC12D3E_aP36_2_i_i_23i_5i_i:Li-Mn-O-P-V, expected LiMnVP5O23 to be LiMnV(PO4)3" +mp-771254,Li4Mn3V2Ni3O16,-7.3002177561,-1.9510399381,0.0810937034,0.0810937034,GGA+U,Cm,A4B3C3D16E2_mC56_8_4a_ab_ab_8a4b_2a:Li-Mn-Ni-O-V,28.0,"Invalid WP multiplicities - A4B3C3D16E2_mC56_8_4a_ab_ab_8a6b_2a:Li-Mn-Ni-O-V, expected Li4Mn3V2Ni3O20 to be Li4Mn3V2Ni3O16" +mp-757477,Li4MnV3(PO4)4,-7.8084650014,-2.6352630594,0.0059184052,0.0059184052,GGA+U,Pm,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Mn-O-P-V,28.0,A4BC16D4E3_mP28_6_2c_a_4a4b4c_2a2b_a2b:Li-Mn-O-P-V +mp-768534,Li8Mn3V(PO4)6,-7.4719982226,-2.6376725324,0.0371303426,0.0371303426,GGA+U,P1,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-V,42.0,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-V +mp-768511,Li8Mn3V(PO4)6,-7.4685791071,-2.6342534169,0.0405494581,0.0405494581,GGA+U,P1,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-V,42.0,A8B3C24D6E_aP42_1_8a_3a_24a_6a_a:Li-Mn-O-P-V +mp-757718,Li2MnV(PO4)2,-7.8115787743,-2.6355872172,0.0033557271,0.0033557271,GGA+U,P2_1/m,A2BC8D2E_mP28_11_ad_e_4e2f_2e_e:Li-Mn-O-P-V,28.0,A2BC8D2E_mP28_11_ab_e_4e2f_2e_e:Li-Mn-O-P-V +mp-3078,CdSiAs2,-4.03806948,-0.12145833,0.0,-0.0473684109,GGA,I-42d,A2BC_tI16_122_d_a_b:As-Cd-Si,8.0,A2BC_tI16_122_d_a_b:As-Cd-Si +mp-1198755,CdSi3AsH27C9I2,-4.9046877741,-0.2659368996,0.0184241631,0.0184241631,GGA,P2_12_12_1,AB9CD27E2F3_oP344_19_2a_18a_2a_54a_4a_6a:As-C-Cd-H-I-Si,344.0,AB9CD27E2F3_oP344_19_2a_18a_2a_54a_4a_6a:As-C-Cd-H-I-Si +mp-1205230,SiH8(CI)4,-4.5728957346,-0.1390572782,0.2226309797,0.2226309797,GGA,P2_12_12_1,A4B8C4D_oP136_19_8a_16a_8a_2a:C-H-I-Si,136.0,A4B8C4D_oP136_19_8a_16a_8a_2a:C-H-I-Si +mp-28538,SiH3I,-3.7088368375,-0.2934643345,0.0,-0.0105149666,GGA,P2_1/c,A3BC_mP20_14_3e_e_e:H-I-Si,20.0,A3BC_mP20_14_3e_e_e:H-I-Si +mp-1199791,BeH24C8S4(ClO2)2,-5.1129143423,-0.484454121,0.1862703501,0.1862703501,GGA,Pbca,AB8C2D24E4F4_oP344_61_c_8c_2c_24c_4c_4c:Be-C-Cl-H-O-S,344.0,AB8C2D24E4F4_oP344_61_c_8c_2c_24c_4c_4c:Be-C-Cl-H-O-S +mp-1202335,BeH16C4S2(ClO2)2,-5.1163328236,-0.7475597390000001,0.1291953382,0.1291953382,GGA,P-1,AB4C2D16E4F2_aP58_2_i_4i_2i_16i_4i_2i:Be-C-Cl-H-O-S,58.0,AB4C2D16E4F2_aP58_2_i_4i_2i_16i_4i_2i:Be-C-Cl-H-O-S +mp-1220108,NiH6(BrN)2,-4.7849115573,-0.6107716064000001,0.030348404,0.030348404,GGA,C2,A2B6C2D_mC22_5_2a_3c_c_b:Br-H-N-Ni,11.0,"Invalid WP multiplicities - A2B6C2D_mC22_5_2a_5c_c_b:Br-H-N-Ni, expected NiH10(BrN)2 to be NiH6(BrN)2" +mp-696193,NiH2(SN)4,-5.6545191157,0.0234234241,0.3697632076,0.3697632076,GGA,Pbca,A2B4CD4_oP88_61_2c_4c_c_4c:H-N-Ni-S,88.0,A2B4CD4_oP88_61_2c_4c_c_4c:H-N-Ni-S +mp-698358,NiH10C4(SN4)2,-6.385985096,-0.3225083667,0.0455583521,0.0455583521,GGA,C2/c,A4B10C8DE2_mC100_15_2f_5f_4f_e_f:C-H-N-Ni-S,50.0,A4B10C8DE2_mC100_15_2f_5f_4f_e_f:C-H-N-Ni-S +mp-600159,NiH4C2(S2N)2,-5.7975044071,-0.3338766254,0.0849201359,0.0849201359,GGA,P2_1/c,A2B4C2DE4_mP52_14_2e_4e_2e_e_4e:C-H-N-Ni-S,52.0,"Invalid WP multiplicities - A2B4C2DE4_mP52_14_6e_13e_7e_e_11e:C-H-N-Ni-S, expected NiH13C6S11N7 to be NiH4C2(S2N)2" +mp-1202956,NiH4C2(S2N)2,-5.7975535563000005,-0.3339257746,0.0848709867,0.0848709867,GGA,P2_1/c,A2B4C2DE4_mP52_14_2e_4e_2e_e_4e:C-H-N-Ni-S,52.0,A2B4C2DE4_mP52_14_2e_4e_2e_e_4e:C-H-N-Ni-S +mp-1202532,NiH24C6S6(BrN6)2,-5.7266185949,-0.4219078169,0.0374326335,0.0374326335,GGA,C2/c,A2B6C24D12EF6_mC204_15_f_3f_12f_6f_c_3f:Br-C-H-N-Ni-S,102.0,A2B6C24D12EF6_mC204_15_f_3f_12f_6f_a_3f:Br-C-H-N-Ni-S +mp-23975,NiH12C2(SN3)2,-5.7059073583,-0.3475573805,0.0611039197,0.0611039197,GGA,C2/m,A2B12C6DE2_mC46_12_i_3j_ij_a_i:C-H-N-Ni-S,23.0,"Invalid WP multiplicities - A2B12C6DE2_mC46_12_i_3j_i2j_a_i:C-H-N-Ni-S, expected NiH12C2(SN5)2 to be NiH12C2(SN3)2" +mp-41012,NiH6C2(SN2)2,-6.0213447407,-0.2738311828,0.1273527061,0.1273527061,GGA,Cm,A2B6C4DE2_mC30_8_2a_3b_2ab_a_2a:C-H-N-Ni-S,15.0,"Invalid WP multiplicities - A2B6C4DE2_mC30_8_2a_3b_2a2b_a_2a:C-H-N-Ni-S, expected NiH6C2(SN3)2 to be NiH6C2(SN2)2" +mp-698721,MnV2P2(H4O7)2,-6.4940832822,-1.5106802169,0.4919517287,0.4919517287,GGA+U,P-1,A8BC14D2E2_aP27_2_4i_a_7i_i_i:H-Mn-O-P-V,27.0,"Invalid WP multiplicities - A8BC14D2E2_aP27_2_7i_a_14i_i_i:H-Mn-O-P-V, expected MnV2P2(HO2)14 to be MnV2P2(H4O7)2" +mp-821974,MnV2P2(H4O7)2,-5.9313879904,-0.9479849251,1.0546470205,1.0546470205,GGA+U,P-1,A8BC14D2E2_aP27_2_4i_a_7i_i_i:H-Mn-O-P-V,27.0,"Invalid WP multiplicities - A8BC14D2E2_aP27_2_7i_a_14i_i_i:H-Mn-O-P-V, expected MnV2P2(HO2)14 to be MnV2P2(H4O7)2" +mp-1221778,MnV2P2(H4O7)2,-6.9742064107,-1.9908033454,0.0118286001,0.0118286001,GGA+U,I4/m,A8BC14D2E2_tI54_87_i_a_ehi_d_e:H-Mn-O-P-V,27.0,A8BC14D2E2_tI54_87_i_a_ehi_d_e:H-Mn-O-P-V +mp-802114,MnVP2(HO5)2,-4.5020559131,0.8307481855000001,3.1001924175,3.1001924175,GGA+U,P-1,A2BC10D2E_aP16_2_i_b_5i_i_e:H-Mn-O-P-V,16.0,"Invalid WP multiplicities - A2BC10D2E_aP16_2_i_b_9i_i_e:H-Mn-O-P-V, expected MnVP2(HO9)2 to be MnVP2(HO5)2" +mp-753350,MnVP2(HO5)2,-7.5563852897,-2.2235811911,0.0458630409,0.0458630409,GGA+U,P-1,A2BC10D2E_aP16_2_i_a_5i_i_b:H-Mn-O-P-V,32.0,A2BC10D2E_aP16_2_i_a_5i_i_b:H-Mn-O-P-V +mp-1383198,MnVP2(HO5)2,-4.5774779913,0.7553261074000001,3.0247703394,3.0247703394,GGA+U,P-1,A2BC10D2E_aP16_2_i_a_5i_i_b:H-Mn-O-P-V,16.0,"Invalid WP multiplicities - A2BC10D2E_aP16_2_i_a_9i_i_b:H-Mn-O-P-V, expected MnVP2(HO9)2 to be MnVP2(HO5)2" +mp-2215969,MgMnVP2(HO5)2,-7.5302060782,-2.4169622178,0.0540999955,0.0540999955,GGA+U,P1,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Mg-Mn-O-P-V,17.0,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Mg-Mn-O-P-V +mp-1233018,MgMnVP2(HO5)2,-7.5651953782,-2.4519515178,0.0191106955,0.0191106955,GGA+U,P-1,A2BCD10E2F_aP17_2_i_a_c_5i_i_f:H-Mg-Mn-O-P-V,17.0,"Invalid WP multiplicities - A2BCD10E2F_aP17_2_i_a_c_9i_i_f:H-Mg-Mn-O-P-V, expected MgMnVP2(HO9)2 to be MgMnVP2(HO5)2" +mp-697268,AgH2SNO3,-5.6357255967,-1.0193482193,0.0786326669,0.0786326669,GGA,Pbca,AB2CD3E_oP64_61_c_2c_c_3c_c:Ag-H-N-O-S,64.0,AB2CD3E_oP64_61_c_2c_c_3c_c:Ag-H-N-O-S +mp-1215046,Ag3HSN3O2,-4.9260427058000005,0.1669279062,0.7422048509,0.7422048509,GGA,Pbcm,A3BC3D2E_oP40_57_de_d_3d_e_d:Ag-H-N-O-S,40.0,A3BC3D2E_oP40_57_de_d_3d_e_d:Ag-H-N-O-S +mp-1199390,AgH20S6N5O9,-5.2811971473,-0.8492837538,0.1094528286,0.1094528286,GGA,P2_1/c,AB20C5D9E6_mP164_14_e_20e_5e_9e_6e:Ag-H-N-O-S,164.0,AB20C5D9E6_mP164_14_e_20e_5e_9e_6e:Ag-H-N-O-S +mp-1196105,H29Pd3S3N9O10,-5.4811217452,-0.8360589346,0.0382707272,0.0382707272,GGA,P-1,A29B9C10D3E3_aP108_2_29i_9i_10i_3i_3i:H-N-O-Pd-S,108.0,A29B9C10D3E3_aP108_2_29i_9i_10i_3i_3i:H-N-O-Pd-S +mp-1200371,AgH36S8N11O18,-5.398407385,-0.8199731480000001,0.183890854,0.183890854,GGA,I-42d,AB36C11D18E8_tI296_122_a_9e_bc2de_d4e_2e:Ag-H-N-O-S,148.0,AB36C11D18E8_tI296_122_a_9e_bc2de_d4e_2e:Ag-H-N-O-S +mp-1202149,Ag2H6PdS2(NO3)2,-5.4618937589,-0.944663657,0.1038621978,0.1038621978,GGA,P2_1/c,A2B6C2D6EF2_mP38_14_e_3e_e_3e_a_e:Ag-H-N-O-Pd-S,38.0,A2B6C2D6EF2_mP38_14_e_3e_e_3e_a_e:Ag-H-N-O-Pd-S +mp-1179965,PdS(NO)3,-5.4842081075,0.6615272157000001,1.4966898758,1.4966898758,GGA,P2_1/c,A3B3CD_mP32_14_3e_3e_e_e:N-O-Pd-S,32.0,A3B3CD_mP32_14_3e_3e_e_e:N-O-Pd-S +mp-1204172,PdS(NO)3,-5.4819605872,0.663774736,1.4989373961,1.4989373961,GGA,P2_1/c,A3B3CD_mP32_14_3e_3e_e_e:N-O-Pd-S,32.0,A3B3CD_mP32_14_3e_3e_e_e:N-O-Pd-S +mp-1194780,H8PdS8(NO13)2,-6.1057839151,-1.4235575718,0.0256714547,0.0256714547,GGA,P-1,A8B2C26DE8_aP45_2_4i_i_13i_a_4i:H-N-O-Pd-S,45.0,A8B2C26DE8_aP45_2_4i_i_13i_a_4i:H-N-O-Pd-S +mp-723002,Ag2H12S(NO)4,-5.2888131093,-0.7824214155,0.0255480272,0.0255480272,GGA,P-42_1c,A2B12C4D4E_tP46_114_d_3e_e_e_a:Ag-H-N-O-S,46.0,A2B12C4D4E_tP46_114_d_3e_e_e_a:Ag-H-N-O-S +mp-15999,Li3AuS2,-4.08575223,-1.2068271744,0.0,-0.0099870604,GGA,Ibam,AB3C2_oI24_72_c_bf_j:Au-Li-S,12.0,AB3C2_oI24_72_c_bf_j:Au-Li-S +mp-1211793,Li4AuS4,-3.8384752494,-0.7878782568,0.2673013989,0.2673013989,GGA,I4_1/amd,AB4C4_tI36_141_a_h_h:Au-Li-S,18.0,AB4C4_tI36_141_a_h_h:Au-Li-S +mp-1105750,LiAu(S2O7)2,-6.1942552825,-1.6451429679,0.0,-0.0428369843,GGA,P-1,ABC14D4_aP20_2_b_c_7i_2i:Au-Li-O-S,20.0,ABC14D4_aP20_2_b_c_7i_2i:Au-Li-O-S +mp-29829,LiAuS,-3.9963292358,-0.8899109913000001,0.0,-0.0054624064,GGA,Fddd,ABC_oF48_70_c_e_f:Au-Li-S,12.0,ABC_oF48_70_c_e_f:Au-Li-S +mp-29868,LiAuC2,-5.6823874100000005,0.2276465529,0.4987600862,0.4987600862,GGA,P-6m2,AB2C_hP4_187_a_g_d:Au-C-Li,4.0,AB2C_hP4_187_a_g_d:Au-C-Li +mp-1196087,LiH12AuC4(SO3)4,-5.6445361444,-0.9764113391,0.3076391982,0.3076391982,GGA,I-4,AB4C12DE12F4_tI68_82_a_g_3g_c_3g_g:Au-C-H-Li-O-S,34.0,AB4C12DE12F4_tI68_82_a_g_3g_c_3g_g:Au-C-H-Li-O-S +mp-707490,K8TeP8(H5O16)2,-6.0897016295,-1.8938674476,0.3675751889,0.3675751889,GGA,P-1,A10B8C32D8E_aP59_2_5i_4i_16i_4i_a:H-K-O-P-Te,59.0,A10B8C32D8E_aP59_2_5i_4i_16i_4i_a:H-K-O-P-Te +mp-1238531,K8TeP8(H5O16)2,-6.4288730329,-2.233038851,0.0284037855,0.0284037855,GGA,P-1,A10B8C32D8E_aP59_2_5i_4i_16i_4i_a:H-K-O-P-Te,59.0,A10B8C32D8E_aP59_2_5i_4i_16i_4i_a:H-K-O-P-Te +mp-1212547,K3NaP2H8O11,-5.8614472951,-1.9800188418,0.0105902168,0.0105902168,GGA,P2_1/c,A8B3CD11E2_mP100_14_8e_3e_e_11e_2e:H-K-Na-O-P,100.0,A8B3CD11E2_mP100_14_8e_3e_e_11e_2e:H-K-Na-O-P +mp-1180454,Na2TePO11,-5.32323781,-0.9488888226,0.5498022767,0.5498022767,GGA,P2_1,A2B11CD_mP30_4_2a_11a_a_a:Na-O-P-Te,30.0,"Invalid WP multiplicities - A2B11CD_mP30_4_2a_20a_a_a:Na-O-P-Te, expected Na2TePO20 to be Na2TePO11" +mp-1192905,KNaTe(HO)6,-5.218297806,-1.5107832279,0.0032860432,0.0032860432,GGA,P31c,A6BCD6E_hP30_159_2c_b_b_2c_a:H-K-Na-O-Te,30.0,A6BCD6E_hP30_159_2c_b_b_2c_a:H-K-Na-O-Te +mp-740739,K6Te2P6(H4O11)3,-6.0496671607,-1.8228491858,0.142701588,0.142701588,GGA,R-3c,A12B6C33D6E2_hR354_167_2f_de_e5f_f_c:H-K-O-P-Te,118.0,A12B6C33D6E2_hR354_167_2f_de_e5f_f_c:H-K-O-P-Te +mp-1197998,Na3Te(PO7)2,-5.786549088,-1.4269926508,0.3574621429,0.3574621429,GGA,P6_322,A3B14C2D_hP40_182_h_f2i_f_b:Na-O-P-Te,40.0,A3B14C2D_hP40_182_h_f2i_f_b:Na-O-P-Te +mp-707453,K5NaP3(HO4)3,-6.2525658909,-2.3920296318,0.0,-0.0007367268,GGA,Pna2_1,A3B5CD12E3_oP96_33_3a_5a_a_12a_3a:H-K-Na-O-P,96.0,A3B5CD12E3_oP96_33_3a_5a_a_12a_3a:H-K-Na-O-P +mp-707985,K3Na3TeP6(HO4)6,-6.440335395,-2.2078056509,0.0621928602,0.0621928602,GGA,C2/c,A6B3C3D24E6F_mC172_15_3f_ef_ef_12f_3f_c:H-K-Na-O-P-Te,86.0,A6B3C3D24E6F_mC172_15_3f_ef_ef_12f_3f_a:H-K-Na-O-P-Te +mp-720804,K3Na3TeP6(HO4)6,-6.4708919672,-2.2383622231,0.031636288,0.031636288,GGA,R-3c,A6B3C3D24E6F_hR258_167_f_e_e_4f_f_b:H-K-Na-O-P-Te,86.0,A6B3C3D24E6F_hR258_167_f_e_e_4f_f_b:H-K-Na-O-P-Te +mp-504943,KNaP2H2O7,-6.5489265198,-2.3434032642,0.0217094158,0.0217094158,GGA,P-1,A2BCD7E2_aP52_2_4i_2i_2i_14i_4i:H-K-Na-O-P,52.0,A2BCD7E2_aP52_2_4i_2i_2i_14i_4i:H-K-Na-O-P +mp-1210401,Na2TePH3O11,-5.4844765861,-1.2737314225,0.3037959871,0.3037959871,GGA,P6_3,A3B2C11DE_hP36_173_c_2b_ab3c_a_b:H-Na-O-P-Te,36.0,A3B2C11DE_hP36_173_c_2b_ab3c_a_b:H-Na-O-P-Te +mp-1224179,K3NaP4(H2O7)2,-6.5693610262,-2.3719964762,0.0025996482,0.0025996482,GGA,Cc,A4B3CD14E4_mC104_9_4a_3a_a_14a_4a:H-K-Na-O-P,52.0,"Invalid WP multiplicities - A4B3CD14E4_mC104_9_5a_4a_a_21a_6a:H-K-Na-O-P, expected K4NaP6H5O21 to be K3NaP4(H2O7)2" +mp-720379,K3NaP4(H2O7)2,-6.5209458804,-2.3235813304,0.0510147939,0.0510147939,GGA,C2/c,A4B3CD14E4_mC104_15_2f_ef_c_7f_2f:H-K-Na-O-P,52.0,A4B3CD14E4_mC104_15_2f_ef_a_7f_2f:H-K-Na-O-P +mp-1197343,Na6Te(PO5)6,-5.9697307436,-1.5055694871,0.4624053446,0.4624053446,GGA,P6_3/m,A6B30C6D_hP86_176_2h_2h4i_i_b:Na-O-P-Te,86.0,A6B30C6D_hP86_176_2h_2h4i_i_b:Na-O-P-Te +mp-720494,K4TeP4(HO2)10,-6.1582611717,-2.0018728029,0.0341675641,0.0341675641,GGA,C2/c,A10B4C20D4E_mC156_15_5f_2ef_10f_2f_a:H-K-O-P-Te,78.0,A10B4C20D4E_mC156_15_5f_2ef_10f_2f_c:H-K-O-P-Te +mp-1211028,Na6TeP6(H3O5)6,-6.1014202214,-1.9534201748,0.0175218899,0.0175218899,GGA,P6_3/m,A18B6C30D6E_hP122_176_3i_2h_2h4i_i_b:H-Na-O-P-Te,122.0,A18B6C30D6E_hP122_176_3i_2h_2h4i_i_b:H-Na-O-P-Te +mp-707787,Na6TeP6(H2O5)6,-6.0646368893,-1.8342433152,0.1398511005,0.1398511005,GGA,P6_3/m,A12B6C30D6E_hP110_176_2i_2h_2h4i_i_b:H-Na-O-P-Te,110.0,A12B6C30D6E_hP110_176_2i_2h_2h4i_i_b:H-Na-O-P-Te +mp-1201772,MoH12C4S2(BrO2)2,-5.3704759166,-0.5849264823,0.3118271776,0.3118271776,GGA+U,P2_1/c,A2B4C12DE4F2_mP100_14_2e_4e_12e_e_4e_2e:Br-C-H-Mo-O-S,100.0,A2B4C12DE4F2_mP100_14_2e_4e_12e_e_4e_2e:Br-C-H-Mo-O-S +mp-732271,SnCS(NCl)2,-5.4987729293,-0.1066657315,0.5565508711,0.5565508711,GGA,P2_1/c,AB2C2DE_mP28_14_e_2e_2e_e_e:C-Cl-N-S-Sn,28.0,AB2C2DE_mP28_14_e_2e_2e_e_e:C-Cl-N-S-Sn +mp-1193396,SnCS(NCl)2,-5.5319253071,-0.1398181094,0.5233984932,0.5233984932,GGA,P2_1/c,AB2C2DE_mP28_14_e_2e_2e_e_e:C-Cl-N-S-Sn,28.0,AB2C2DE_mP28_14_e_2e_2e_e_e:C-Cl-N-S-Sn +mp-1204716,SnH12C6(S2N)2,-5.5492736570000005,-0.2167509903,0.1301388561,0.1301388561,GGA,C2/c,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:C-H-N-S-Sn,50.0,A6B12C2D4E_mC100_15_3f_6f_f_2f_e:C-H-N-S-Sn +mp-1193781,SnH6C4(SN)2,-5.8570445907,-0.1086126121,0.258833668,0.258833668,GGA,Pmmn,A4B6C2D2E_oP30_59_ef_fg_e_e_a:C-H-N-S-Sn,30.0,A4B6C2D2E_oP30_59_ef_fg_e_e_a:C-H-N-S-Sn +mp-1179442,SnC8(S3N)2,-6.4165458425,0.6029003249,0.8307341293,0.8307341293,GGA,C2/m,A8B2C6D_mC136_12_4i6j_2ij_2i5j_abe:C-N-S-Sn,68.0,A8B2C6D_mC136_12_4i6j_2ij_2i5j_abf:C-N-S-Sn +mp-1198367,SnC8(S3N)2,-6.0618595207,0.9575866467,1.1854204511,1.1854204511,GGA,C2/m,A8B2C6D_mC136_12_4i6j_2ij_2i5j_abf:C-N-S-Sn,68.0,A8B2C6D_mC136_12_4i6j_2ij_2i5j_abe:C-N-S-Sn +mp-620404,SnC2(SN)2,-6.8732916607,-0.1000356002,0.2042847757,0.2042847757,GGA,P-1,A2B2C2D_aP14_2_2i_2i_2i_i:C-N-S-Sn,14.0,"Invalid WP multiplicities - A2B2C2D_aP14_2_2i_3i_3i_i:C-N-S-Sn, expected SnC2(SN)3 to be SnC2(SN)2" +mp-1179666,SnC2(SN)2,-5.6779542436,1.095301817,1.3996221929,1.3996221929,GGA,P-1,A2B2C2D_aP14_2_2i_2i_2i_i:C-N-S-Sn,14.0,"Invalid WP multiplicities - A2B2C2D_aP14_2_2i_3i_3i_i:C-N-S-Sn, expected SnC2(SN)3 to be SnC2(SN)2" +mp-1204699,SnH10C3SN3Cl2,-5.248815771,-0.3255239338,0.2635408874,0.2635408874,GGA,P2/c,A3B2C10D3EF_mP80_13_3g_2g_10g_3g_g_g:C-Cl-H-N-S-Sn,80.0,A3B2C10D3EF_mP80_13_3g_2g_10g_3g_g_g:C-Cl-H-N-S-Sn +mp-566296,SnS8(N2Cl)4,-5.374887115,-0.080254885,0.2595543271,0.2595543271,GGA,Pca2_1,A4B8C8D_oP84_29_4a_8a_8a_a:Cl-N-S-Sn,84.0,"Invalid WP multiplicities - A4B8C8D_oP84_29_11a_29a_28a_a:Cl-N-S-Sn, expected SnS28N29Cl11 to be SnS8(N2Cl)4" +mp-1204112,SnH4S6(NCl)6,-4.8945840824,-0.3941769195,0.1753274834,0.1753274834,GGA,P2_1/c,A6B4C6D6E_mP46_14_3e_2e_3e_3e_a:Cl-H-N-S-Sn,46.0,A6B4C6D6E_mP46_14_3e_2e_3e_3e_a:Cl-H-N-S-Sn +mp-707744,K2TeH10(NO7)2,-5.653357921,-1.3354959885,0.0089752386,0.0089752386,GGA,P2_1/c,A10B2C2D14E_mP58_14_5e_e_e_7e_a:H-K-N-O-Te,58.0,A10B2C2D14E_mP58_14_5e_e_e_7e_a:H-K-N-O-Te +mp-1228356,K5Te2Mo6H18NO36,-6.3114553154,-1.5408837783,0.133235912,0.133235912,GGA+U,Cc,A18B5C6DE36F2_mC272_9_18a_5a_6a_a_36a_2a:H-K-Mo-N-O-Te,136.0,"Invalid WP multiplicities - A18B5C6DE36F2_mC272_9_27a_7a_9a_a_54a_2a:H-K-Mo-N-O-Te, expected K7Te2Mo9H27NO54 to be K5Te2Mo6H18NO36" +mp-1196143,Na2U2MnH8(C3O7)4,-7.651452586,-1.787623075,0.0881680057,0.0881680057,GGA+U,P-1,A12B8CD2E28F2_aP53_2_6i_4i_a_i_14i_i:C-H-Mn-Na-O-U,53.0,A12B8CD2E28F2_aP53_2_6i_4i_a_i_14i_i:C-H-Mn-Na-O-U +mp-1180838,Na2VCoF7,-5.8114782307,-2.8826030285,0.0470081616,0.0470081616,GGA+U,C2/c,AB7C2D_mC176_15_2f_14f_abce2f_def:Co-F-Na-V,88.0,AB7C2D_mC176_15_2f_14f_abce2f_def:Co-F-Na-V +mp-1204582,Na2V2CoH4(OF)6,-6.134731401,-2.1994413641,0.0464150331,0.0464150331,GGA+U,P2_1/c,AB6C4D2E6F2_mP42_14_a_3e_2e_e_3e_e:Co-F-H-Na-O-V,42.0,AB6C4D2E6F2_mP42_14_a_3e_2e_e_3e_e:Co-F-H-Na-O-V +mp-1204593,VCoH14(O2F)4,-5.5826132954,-1.6215485078,0.0024528745,0.0024528745,GGA+U,P-1,AB4C14D8E_aP112_2_abcg_8i_28i_16i_2i:Co-F-H-O-V,112.0,AB4C14D8E_aP112_2_abcg_8i_28i_16i_2i:Co-F-H-O-V +mp-1224720,Na4V10Co(H11O13)4,-6.1762594541,-1.5839600069,0.0754027818,0.0754027818,GGA+U,P-1,AB44C4D52E10_aP111_2_c_22i_abi_26i_5i:Co-H-Na-O-V,111.0,AB44C4D52E10_aP111_2_c_22i_abi_26i_5i:Co-H-Na-O-V +mp-2715917,Na7Ca2Y2P5SO24,-7.1946002146,-2.8988609339,0.0309968333,0.0309968333,GGA,P1,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-S-Y,123.0,A2B7C24D5EF2_aP123_1_6a_21a_72a_15a_3a_6a:Ca-Na-O-P-S-Y +mp-2715036,Na4CaY(PO4)3,-7.2151802347,-2.9598305098,0.0154319192,0.0154319192,GGA,R3c,AB4C12D3E_hR126_161_a_ab_4b_b_a:Ca-Na-O-P-Y,126.0,"Invalid WP multiplicities - AB4C12D3E_hR126_161_a_ab_12b_b_a:Ca-Na-O-P-Y, expected Na4CaY(PO12)3 to be Na4CaY(PO4)3" +mp-2712535,Na3Ca2Y2PS5O24,-7.1134215666,-2.6342918699,0.0345346176,0.0345346176,GGA,P1,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ca-Na-O-P-S-Y,111.0,A2B3C24DE5F2_aP111_1_6a_9a_72a_3a_15a_6a:Ca-Na-O-P-S-Y +mp-2714123,Na7CaY3(PO4)6,-7.4573956418,-3.0217118763,0.0178551143,0.0178551143,GGA,P1,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Ca-Na-O-P-Y,123.0,AB7C24D6E3_aP123_1_3a_21a_72a_18a_9a:Ca-Na-O-P-Y +mp-1227362,CaYP7O20,-7.902643829,-2.8923347681,0.0,-0.0020621189,GGA,C2/c,AB20C7D_mC116_15_a_10f_e3f_c:Ca-O-P-Y,58.0,AB20C7D_mC116_15_c_10f_e3f_a:Ca-O-P-Y +mp-2713122,Na2CaYP(SO6)2,-7.1237919432,-2.6941293982000003,0.0653945186,0.0653945186,GGA,Cc,AB2C12DE2F_mC228_9_3a_6a_36a_3a_6a_3a:Ca-Na-O-P-S-Y,114.0,"Invalid WP multiplicities - AB2C12DE2F_mC228_9_3a_6a_60a_3a_9a_3a:Ca-Na-O-P-S-Y, expected Na2CaYPS3O20 to be Na2CaYP(SO6)2" +mp-1233576,CaY3(PO4)3,-8.2593847884,-3.1538487213,0.2902215041,0.2902215041,GGA,C222,AB12C3D3_oC38_21_a_3l_bk_ck:Ca-O-P-Y,19.0,"Invalid WP multiplicities - AB12C3D3_oC38_21_a_11l_bk_ck:Ca-O-P-Y, expected CaY3P3O44 to be CaY3(PO4)3" +mp-2712625,Na3CaYP2SO12,-7.1745580649,-2.8364097505,0.0457731218,0.0457731218,GGA,Cc,AB3C12D2EF_mC80_9_a_3a_12a_2a_a_a:Ca-Na-O-P-S-Y,120.0,"Invalid WP multiplicities - AB3C12D2EF_mC80_9_a_8a_60a_7a_a_a:Ca-Na-O-P-S-Y, expected Na8CaYP7SO60 to be Na3CaYP2SO12" +mp-2714850,Na5Ca2Y2P3(SO8)3,-7.1493502033,-2.7666180330000003,0.0584990956,0.0584990956,GGA,P1,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ca-Na-O-P-S-Y,117.0,A2B5C24D3E3F2_aP117_1_6a_15a_72a_9a_9a_6a:Ca-Na-O-P-S-Y +mp-766814,Li12MnCo3P4(CO7)4,-7.1404250088,-2.3237096437,0.0471095583,0.0471095583,GGA+U,Pm,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Co-Li-Mn-O-P,52.0,A4B3C12DE28F4_mP52_6_2a2b_a2b_2a2b4c_a_10a10b4c_2a2b:C-Co-Li-Mn-O-P +mp-757178,Li6MnCoP2(CO7)2,-7.2124368319,-2.3562272841,0.0475015908,0.0475015908,GGA+U,Pm,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Co-Li-Mn-O-P,52.0,A2BC6DE14F2_mP26_6_ab_a_ab2c_b_5a5b2c_ab:C-Co-Li-Mn-O-P +mp-1178081,Li12Mn3CoP4(CO7)4,-7.2795449256,-2.3838411951,0.0527973527,0.0527973527,GGA+U,Pm,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Co-Li-Mn-O-P,52.0,A4BC12D3E28F4_mP52_6_2a2b_a_2a2b4c_a2b_10a10b4c_2a2b:C-Co-Li-Mn-O-P +mp-559242,KNaMnO2,-5.984614904,-1.686951513,0.0,-0.0160711764,GGA+U,Cccm,ABCD2_oC40_66_ae_l_g_hl:K-Mn-Na-O,20.0,ABCD2_oC40_66_ae_l_g_hl:K-Mn-Na-O +mp-555116,K2NaMnO4,-5.889207165,-1.8276954994,0.0,-0.0460666004,GGA+U,Fddd,A2BCD4_oF128_70_ef_g_e_2h:K-Mn-Na-O,32.0,"Invalid WP multiplicities - A2BCD4_oF128_70_2e2f_g_e_8h:K-Mn-Na-O, expected K4NaMnO16 to be K2NaMnO4" +mp-766955,K6Na2MnH24(WO6)6,-6.5165884803,-1.7735956853,0.0075294646,0.0075294646,GGA+U,R-3m,A24B6CD2E36F6_hR225_166_2hi_h_a_c_4hi_f:H-K-Mn-Na-O-W,75.0,"Invalid WP multiplicities - A24B6CD2E36F6_hR225_166_7h4i_h_a_c_16h6i_f:H-K-Mn-Na-O-W, expected K6Na2MnH90(WO28)6 to be K6Na2MnH24(WO6)6" +mp-1181372,FeBr(NO)3,-6.4679250494,-0.2338499933,0.517385525,0.517385525,GGA+U,P6_3mc,ABC3D3_hP16_186_b_b_c_c:Br-Fe-N-O,16.0,ABC3D3_hP16_186_b_b_c_c:Br-Fe-N-O +mp-865922,FeH4Br3N,-4.6469840644,-0.7540390306,0.0032769756,0.0032769756,GGA,P6_3,A3BC4D_hP18_173_c_a_bc_b:Br-Fe-H-N,18.0,"Invalid WP multiplicities - A3BC4D_hP18_173_c_a_2b2c_b:Br-Fe-H-N, expected FeH8Br3N to be FeH4Br3N" +mp-648167,Fe3C8(Br2N)8,-5.680118296,-0.2292668603,0.1250153968,0.1250153968,GGA,P-1,A16B8C3D8_aP35_2_8i_4i_ai_4i:Br-C-Fe-N,35.0,"Invalid WP multiplicities - A16B8C3D8_aP35_2_15i_8i_ai_6i:Br-C-Fe-N, expected Fe3C16(Br5N2)6 to be Fe3C8(Br2N)8" +mp-600221,FeH14C3Br3NO2,-5.092679762,-0.6533822764,0.0425392633,0.0425392633,GGA+U,Pnma,A3B3CD14EF2_oP96_62_3c_cd_a_2c6d_c_d:Br-C-Fe-H-N-O,96.0,"Invalid WP multiplicities - A3B3CD14EF2_oP96_62_9c_3c3d_a_8c42d_c_d:Br-C-Fe-H-N-O, expected FeH92C9Br9NO2 to be FeH14C3Br3NO2" +mp-1198815,B8P2H18IrC8Cl,-5.3474099884,0.1748821898,0.4684911823,0.4684911823,GGA,P2_1/c,A8B8CD18EF2_mP304_14_16e_16e_2e_36e_2e_4e:B-C-Cl-H-Ir-P,304.0,A8B8CD18EF2_mP304_14_16e_16e_2e_36e_2e_4e:B-C-Cl-H-Ir-P +mp-631586,B2IrCl,-4.2438670175,1.7675715779,2.345699616,2.345699616,GGA,Fm-3m,A2BC_cF16_225_c_a_b:B-Cl-Ir,4.0,A2BC_cF16_225_c_a_b:B-Cl-Ir +mp-758806,B5PH4Cl,-5.2880212783000005,-0.3580483509,0.0268031869,0.0268031869,GGA,Pbca,A5BC4D_oP176_61_10c_2c_8c_2c:B-Cl-H-P,176.0,"Invalid WP multiplicities - A5BC4D_oP176_61_37c_5c_29c_5c:B-Cl-H-P, expected B37P5H29Cl5 to be B5PH4Cl" +mp-561205,AgC4OF9,-5.7682527937,-1.6417716342,0.1724185841,0.1724185841,GGA,P-1,AB4C9D_aP60_2_2i_8i_18i_2i:Ag-C-F-O,60.0,"Invalid WP multiplicities - AB4C9D_aP60_2_2i_12i_36i_3i:Ag-C-F-O, expected Ag2C12(OF12)3 to be AgC4OF9" +mp-566334,Sb3C2N(OF8)2,-5.5792825832,-2.2602046444,0.0785633386,0.0785633386,GGA,P2_1/c,A2B16CD2E3_mP96_14_2e_16e_e_2e_3e:C-F-N-O-Sb,96.0,"Invalid WP multiplicities - A2B16CD2E3_mP96_14_5e_63e_e_2e_9e:C-F-N-O-Sb, expected Sb9C5NO2F63 to be Sb3C2N(OF8)2" +mp-640564,AgSbC6N4(OF3)2,-6.7825483512,-0.930459295,0.2819026999,0.2819026999,GGA,C2/c,AB6C6D4E2F_mC80_15_e_3f_3f_2f_f_e:Ag-C-F-N-O-Sb,40.0,"Invalid WP multiplicities - AB6C6D4E2F_mC80_15_e_11f_9f_4f_f_e:Ag-C-F-N-O-Sb, expected AgSbC22N8(OF9)2 to be AgSbC6N4(OF3)2" +mp-1198449,SbCN2OF3,-6.3222110656,-1.2332382911,0.4425048183,0.4425048183,GGA,Pca2_1,AB3C2DE_oP32_29_a_3a_2a_a_a:C-F-N-O-Sb,32.0,AB3C2DE_oP32_29_a_3a_2a_a_a:C-F-N-O-Sb +mp-557600,SbC2N(OF3)2,-6.2932580729,-1.9361682081,0.0844351167,0.0844351167,GGA,P2_1/c,A2B6CD2E_mP48_14_2e_6e_e_2e_e:C-F-N-O-Sb,48.0,"Invalid WP multiplicities - A2B6CD2E_mP48_14_6e_19e_e_4e_e:C-F-N-O-Sb, expected SbC6NO4F19 to be SbC2N(OF3)2" +mp-1193084,BaY2Si2O7F2,-8.3502859914,-3.7679765528,0.0154057679,0.0154057679,GGA,P-1,AB2C7D2E2_aP28_2_i_2i_7i_2i_2i:Ba-F-O-Si-Y,28.0,AB2C7D2E2_aP28_2_i_2i_7i_2i_2i:Ba-F-O-Si-Y +mp-554918,BaY6Si3B6(O12F)2,-8.7420669821,-3.5131719026,0.0075877798,0.0075877798,GGA,P3m1,A6BC2D24E3F6_hP42_156_e_a_bc_4d2e_d_2d:B-Ba-F-O-Si-Y,42.0,"Invalid WP multiplicities - A6BC2D24E3F6_hP42_156_e_a_bc_12d10e_d_2d:B-Ba-F-O-Si-Y, expected BaY6Si3B6(O48F)2 to be BaY6Si3B6(O12F)2" +mp-1196983,Ba2Y3Si2O8F5,-8.0557200835,-3.8947748931,0.0139514924,0.0139514924,GGA,Pba2,A2B5C8D2E3_oP40_32_c_a2c_4c_c_bc:Ba-F-O-Si-Y,40.0,A2B5C8D2E3_oP40_32_c_a2c_4c_c_bc:Ba-F-O-Si-Y +mp-1200275,Be2AsH5O7,-6.1323234485,-1.8837637592,0.0,-0.015266856,GGA,P2_1/c,AB2C5D7_mP60_14_e_2e_5e_7e:As-Be-H-O,60.0,AB2C5D7_mP60_14_e_2e_5e_7e:As-Be-H-O +mp-1202034,Be3As2H10(NO5)2,-6.0593611591,-1.5925606844,0.0165408559,0.0165408559,GGA,P2_1/c,A2B3C10D2E10_mP108_14_2e_3e_10e_2e_10e:As-Be-H-N-O,108.0,A2B3C10D2E10_mP108_14_2e_3e_10e_2e_10e:As-Be-H-N-O +mp-35687,Be(CN)2,-8.001103139,-0.227156399,0.225915129,0.225915129,GGA,P4_2nm,AB2C2_tP10_102_a_c_c:Be-C-N,10.0,AB2C2_tP10_102_a_c_c:Be-C-N +mp-1201642,Be3As3H9C5NO13,-6.4219569492,-1.289106836,0.2240081613,0.2240081613,GGA,C2/c,A3B3C5D9EF13_mC272_15_3f_3f_5f_9f_f_13f:As-Be-C-H-N-O,136.0,A3B3C5D9EF13_mC272_15_3f_3f_5f_9f_f_13f:As-Be-C-H-N-O +mp-720433,Be2As(HO)9,-5.8560030673,-1.703970832,0.007875859,0.007875859,GGA,P2_1/c,AB2C9D9_mP84_14_e_2e_9e_9e:As-Be-H-O,84.0,AB2C9D9_mP84_14_e_2e_9e_9e:As-Be-H-O +mp-24570,Be3As2(H2O5)2,-6.4099099482,-2.0112643325,0.0,-0.0189958028,GGA,C2/c,A2B3C4D10_mC76_15_f_ef_2f_5f:As-Be-H-O,38.0,"Invalid WP multiplicities - A2B3C4D10_mC76_15_f_ef_3f_8f:As-Be-H-O, expected Be3As2(H3O8)2 to be Be3As2(H2O5)2" +mp-1189451,BeCN2,-7.9766064619,-0.56633941,0.0,-0.0588119406,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Be-C-N,16.0,ABC2_oP16_33_a_a_2a:Be-C-N +mp-15703,BeCN2,-7.9730017913,-0.5627347394000001,0.0036046706,-0.05520727,GGA,I-42d,ABC2_tI16_122_a_b_d:Be-C-N,8.0,ABC2_tI16_122_a_b_d:Be-C-N +mp-1199720,GeSb2H16C4(S3N)2,-5.053695974,-0.3578573264,0.0339324495,0.0339324495,GGA,P4_12_12,A4BC16D2E6F2_tP124_92_2b_a_8b_b_3b_b:C-Ge-H-N-S-Sb,124.0,A4BC16D2E6F2_tP124_92_2b_a_8b_b_3b_b:C-Ge-H-N-S-Sb +mp-736330,FeGe4H24C8(S5N)2,-5.2193912571,-0.3162408455,0.0841108964,0.0841108964,GGA,I-4,A8BC4D24E2F10_tI98_82_2g_a_g_6g_bc_f2g:C-Fe-Ge-H-N-S,49.0,A8BC4D24E2F10_tI98_82_2g_a_g_6g_bc_f2g:C-Fe-Ge-H-N-S +mp-1246992,FeGeN2,-7.4500591606,-0.0085494319,0.2589101453,0.2589101453,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Fe-Ge-N,16.0,ABC2_mP16_14_e_e_2e:Fe-Ge-N +mp-1246529,FeGeN2,-7.4167609881,0.0247487406,0.2922083178,0.2922083178,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Fe-Ge-N,64.0,ABC2_oP64_61_2c_2c_4c:Fe-Ge-N +mp-1245330,Fe7GeN6,-8.1104335427,0.027576877,0.3147149564,0.3147149564,GGA,Pbcn,A7BC6_oP56_60_c3d_c_3d:Fe-Ge-N,56.0,A7BC6_oP56_60_c3d_c_3d:Fe-Ge-N +mp-1201806,FeH21C7S3N,-5.1914864529,-0.1895539945,0.1312015429,0.1312015429,GGA,P2_1/c,A7BC21DE3_mP132_14_7e_e_21e_e_3e:C-Fe-H-N-S,132.0,A7BC21DE3_mP132_14_7e_e_21e_e_3e:C-Fe-H-N-S +mp-1246138,Fe3(GeN)8,-6.7130936084,0.0809193321,0.3006044492,0.3006044492,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Fe-Ge-N,19.0,A3B8C8_mC38_12_ai_4i_4i:Fe-Ge-N +mp-1225101,Fe6Ge2N,-7.6974257889,-0.097128245,0.056308822,0.056308822,GGA,P4/mmm,A6B2C_tP9_123_efg_h_a:Fe-Ge-N,9.0,"Invalid WP multiplicities - A6B2C_tP9_123_2e2fg_h_a:Fe-Ge-N, expected Fe10Ge2N to be Fe6Ge2N" +mp-1245701,FeGe7N10,-6.9319004044,-0.0321134353,0.2200406402,0.2200406402,GGA,Pc,AB7C10_mP36_7_a_7a_10a:Fe-Ge-N,36.0,AB7C10_mP36_7_a_7a_10a:Fe-Ge-N +mp-1204530,FeH12C4(S2N5)2,-6.1834856358,-0.183222912,0.2110569532,0.2110569532,GGA,P-1,A4BC12D10E4_aP31_2_2i_a_6i_5i_2i:C-Fe-H-N-S,31.0,A4BC12D10E4_aP31_2_2i_a_6i_5i_2i:C-Fe-H-N-S +mp-1245621,Fe5(GeN3)2,-7.7723947431,0.0441538192,0.322209513,0.322209513,GGA,C2/c,A5B2C6_mC52_15_e2f_f_3f:Fe-Ge-N,26.0,A5B2C6_mC52_15_e2f_f_3f:Fe-Ge-N +mp-540639,FeH8C4(S2N3)2,-6.3340364491,-0.2865903379,0.1211399549,0.1211399549,GGA,P-1,A4BC8D6E4_aP23_2_2i_a_4i_3i_2i:C-Fe-H-N-S,23.0,A4BC8D6E4_aP23_2_2i_a_4i_3i_2i:C-Fe-H-N-S +mp-560718,TeH12AuC4S3N,-4.9815614944,-0.2183611795,0.0981815155,0.0981815155,GGA,P2_1/c,AB4C12DE3F_mP88_14_e_4e_12e_e_3e_e:Au-C-H-N-S-Te,88.0,"Invalid WP multiplicities - AB4C12DE3F_mP88_14_e_10e_47e_e_10e_e:Au-C-H-N-S-Te, expected TeH47AuC10S10N to be TeH12AuC4S3N" +mp-1196128,LiAlH8C16(O2F9)4,-5.8985641637,-1.7722540572,0.1889690158,0.1889690158,GGA,I-4,AB16C36D8EF8_tI140_82_a_4g_9g_2g_c_2g:Al-C-F-H-Li-O,70.0,AB16C36D8EF8_tI140_82_a_4g_9g_2g_c_2g:Al-C-F-H-Li-O +mp-1204749,LiAl(H3C)4,-4.8278529631,-0.2010822294,0.0571677858,0.0571677858,GGA,P2_1/c,AB4C12D_mP72_14_e_4e_12e_e:Al-C-H-Li,72.0,AB4C12D_mP72_14_e_4e_12e_e:Al-C-H-Li +mp-1198761,LiH8C4O5F9,-5.6037592986,-1.6073834667,0.1834074739,0.1834074739,GGA,C2/c,A4B9C8DE5_mC216_15_4f_9f_8f_f_5f:C-F-H-Li-O,108.0,A4B9C8DE5_mC216_15_4f_9f_8f_f_5f:C-F-H-Li-O +mp-1199620,Li2H10C8O7F18,-5.6806098589000005,-1.6671015807,0.1941225442,0.1941225442,GGA,P2_1/c,A8B18C10D2E7_mP180_14_8e_18e_10e_2e_7e:C-F-H-Li-O,180.0,A8B18C10D2E7_mP180_14_8e_18e_10e_2e_7e:C-F-H-Li-O +mp-728532,Si6C8N2Cl4O3,-6.4699394111,-0.153050944,1.1047006158,1.1047006158,GGA,P2_1/c,A8B4C2D3E6_mP92_14_8e_4e_2e_3e_6e:C-Cl-N-O-Si,92.0,A8B4C2D3E6_mP92_14_8e_4e_2e_3e_6e:C-Cl-N-O-Si +mp-560249,SiH8C2NClO,-5.145715965,-0.4202747028,0.391228978,0.391228978,GGA,P-1,A2BC8DEF_aP28_2_2i_i_8i_i_i_i:C-Cl-H-N-O-Si,28.0,"Invalid WP multiplicities - A2BC8DEF_aP28_2_2i_i_16i_i_i_i:C-Cl-H-N-O-Si, expected SiH16C2NClO to be SiH8C2NClO" +mp-1200764,AlH8N2O2F5,-5.359466615,-1.6366251539,0.1775785604,0.1775785604,GGA,P2/c,AB5C8D2E2_mP72_13_ab_ef4g_8g_2g_2g:Al-F-H-N-O,72.0,AB5C8D2E2_mP72_13_ab_ef4g_8g_2g_2g:Al-F-H-N-O +mp-24618,AlH10N2OF5,-5.3272304238,-1.703550967,0.0,-0.0067138628,GGA,Pbcn,AB5C10D2E_oP76_60_c_c2d_5d_d_c:Al-F-H-N-O,76.0,"Invalid WP multiplicities - AB5C10D2E_oP76_60_c_2c4d_7d_d_c:Al-F-H-N-O, expected AlH14N2OF10 to be AlH10N2OF5" +mp-773092,AlNiH16N(OF)6,-5.3316225879,-1.6769506451,0.0016433848,0.0016433848,GGA+U,P2_1/c,AB6C16DEF6_mP124_14_ab_6e_16e_e_e_6e:Al-F-H-N-Ni-O,124.0,"Invalid WP multiplicities - AB6C16DEF6_mP124_14_ad_17e_61e_e_e_15e:Al-F-H-N-Ni-O, expected AlNiH61NO15F17 to be AlNiH16N(OF)6" +mp-1214060,CaMg5P3HCO16,-7.268349437,-2.8974117123000003,0.0039445723,0.0039445723,GGA,P-1,ABCD5E16F3_aP54_2_i_i_i_5i_16i_3i:C-Ca-H-Mg-O-P,54.0,ABCD5E16F3_aP54_2_i_i_i_5i_16i_3i:C-Ca-H-Mg-O-P +mp-1203091,CaP2H8(CO3)2,-6.1663680429,-1.528921911,0.013327754,0.013327754,GGA,C2/c,A2BC8D6E2_mC76_15_f_e_4f_3f_f:C-Ca-H-O-P,38.0,A2BC8D6E2_mC76_15_f_e_4f_3f_f:C-Ca-H-O-P +mp-1182830,KCaCoC6(S3O5)2,-6.1305046868,-0.5352288512,0.9975009064,0.9975009064,GGA+U,P2_12_12_1,A6BCDE10F6_oP100_19_6a_a_a_a_10a_6a:C-Ca-Co-K-O-S,100.0,A6BCDE10F6_oP100_19_6a_a_a_a_10a_6a:C-Ca-Co-K-O-S +mp-1197796,KCaCoC6(S3O5)2,-6.350215231,-0.7549393954,0.7777903622,0.7777903622,GGA+U,P2_12_12_1,A6BCDE10F6_oP100_19_6a_a_a_a_10a_6a:C-Ca-Co-K-O-S,100.0,A6BCDE10F6_oP100_19_6a_a_a_a_10a_6a:C-Ca-Co-K-O-S +mp-2714086,NaY2Sc2PS5O24,-7.6038120912,-2.6970553301,0.0191899557,0.0191899557,GGA,P1,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Sc-Y,105.0,AB24CD5E2F2_aP105_1_3a_72a_3a_15a_6a_6a:Na-O-P-S-Sc-Y +mp-2715020,Na5Y2Sc2P5SO24,-7.6759674062,-3.0058648838,0.0409844825,0.0409844825,GGA,P1,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Y,117.0,A5B24C5DE2F2_aP117_1_15a_72a_15a_3a_6a_6a:Na-O-P-S-Sc-Y +mp-2713970,Na3Y2Sc2P3(SO8)3,-7.6488707879,-2.8668372066,0.0299611982,0.0299611982,GGA,P1,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Y,111.0,A3B24C3D3E2F2_aP111_1_9a_72a_9a_9a_6a_6a:Na-O-P-S-Sc-Y +mp-2713240,Na2YScP2SO12,-7.6613293047,-2.93673403,0.0383125482,0.0383125482,GGA,P1,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-S-Sc-Y,114.0,A2B12C2DEF_aP114_1_12a_72a_12a_6a_6a_6a:Na-O-P-S-Sc-Y +mp-2714574,NaYScP(SO6)2,-7.6354158627,-2.7927529578,0.0176533847,0.0176533847,GGA,P1,AB12CD2EF_aP108_1_6a_72a_6a_12a_6a_6a:Na-O-P-S-Sc-Y,108.0,AB12CD2EF_aP108_1_6a_72a_6a_12a_6a_6a:Na-O-P-S-Sc-Y +mp-1228185,Ga8As16H102C32(S12O)3,-4.9070207421,-0.3187046185,0.0799032362,0.0799032362,GGA,P1,A16B32C8D102E3F36_aP197_1_16a_32a_8a_102a_3a_36a:As-C-Ga-H-O-S,197.0,A16B32C8D102E3F36_aP197_1_16a_32a_8a_102a_3a_36a:As-C-Ga-H-O-S +mp-605239,KCa4Si8H16O28F,-6.1060838215,-1.8433644713,0.6592087358000001,0.6592087358000001,GGA,P4/mnc,A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i:Ca-F-H-K-O-Si,116.0,"Invalid WP multiplicities - A4BC16DE28F8_tP116_128_h_a_20i_b_5g33i_i:Ca-F-H-K-O-Si, expected KCa4Si8H160O284F to be KCa4Si8H16O28F" +mp-1182518,KCa4Si8H16O28F,-6.137226674,-1.8745073238,0.6280658833,0.6280658833,GGA,P4/mnc,A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i:Ca-F-H-K-O-Si,116.0,"Invalid WP multiplicities - A4BC16DE28F8_tP116_128_h_a_20i_b_5g33i_i:Ca-F-H-K-O-Si, expected KCa4Si8H160O284F to be KCa4Si8H16O28F" +mp-1196532,KCa4Si8H16O28F,-6.7577290874,-2.4950097373,0.0075634699,0.0075634699,GGA,P4/mnc,A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i:Ca-F-H-K-O-Si,116.0,A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i:Ca-F-H-K-O-Si +mp-1248491,KCa4Si8H16O28F,-6.1784917285,-1.9157723784,0.5868008288000001,0.5868008288000001,GGA,P4/mnc,A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i:Ca-F-H-K-O-Si,116.0,"Invalid WP multiplicities - A4BC16DE28F8_tP116_128_h_a_20i_b_5g33i_i:Ca-F-H-K-O-Si, expected KCa4Si8H160O284F to be KCa4Si8H16O28F" +mp-1202104,KCa7Si3(O4F)3,-7.2126824081,-3.5003649606,0.0246015527,0.0246015527,GGA,P31c,A7B3CD12E3_hP52_159_a2c_c_b_4c_c:Ca-F-K-O-Si,52.0,A7B3CD12E3_hP52_159_a2c_c_b_4c_c:Ca-F-K-O-Si +mp-1181193,KCa4Si8O28F,-6.9800050599,-2.3858596887,0.3351324624,0.3351324624,GGA,P4/mnc,A4BCD28E8_tP84_128_h_a_b_g3i_i:Ca-F-K-O-Si,84.0,A4BCD28E8_tP84_128_h_a_b_g3i_i:Ca-F-K-O-Si +mp-601241,Na3YH12(CO5)3,-6.2857746724,-1.7848015347,0.0154982437,0.0154982437,GGA,P6_3,A3B12C3D15E_hP68_173_c_4c_c_5c_b:C-H-Na-O-Y,68.0,"Invalid WP multiplicities - A3B12C3D15E_hP68_173_c_17c_c_23c_b:C-H-Na-O-Y, expected Na3YH51(CO23)3 to be Na3YH12(CO5)3" +mp-1225039,DyYC4,-8.1867654083,-0.1887787544,0.0625272466,0.0625272466,GGA,Cmmm,A4BC_oC12_65_gh_a_c:C-Dy-Y,6.0,"Invalid WP multiplicities - A4BC_oC12_65_2gh_c_a:C-Dy-Y, expected DyYC6 to be DyYC4" +mp-1225321,Na12DyY3H48(CO5)12,-6.2686168084,-1.7813178198,0.0159752386,0.0159752386,GGA,P1,A12BC48D12E60F3_aP136_1_12a_a_48a_12a_60a_3a:C-Dy-H-Na-O-Y,136.0,A12BC48D12E60F3_aP136_1_12a_a_48a_12a_60a_3a:C-Dy-H-Na-O-Y +mp-1202901,Na2YHC2O7,-7.4050688863,-2.3598073703,0.0,-0.0020878765,GGA,C2/c,A2BC2D7E_mC104_15_2f_f_2f_7f_f:C-H-Na-O-Y,52.0,A2BC2D7E_mC104_15_2f_f_2f_7f_f:C-H-Na-O-Y +mp-734150,Na3YH6(CO4)3,-6.7003348223,-1.9868682513,0.0,-0.0017004674,GGA,Pna2_1,A3B6C3D12E_oP100_33_3a_6a_3a_12a_a:C-H-Na-O-Y,100.0,A3B6C3D12E_oP100_33_3a_6a_3a_12a_a:C-H-Na-O-Y +mp-758942,NaYH8(CO3)4,-6.7806034466,-1.734229167,0.0387369531,0.0387369531,GGA,Pc,A4B8CD12E_mP104_7_8a_16a_2a_24a_2a:C-H-Na-O-Y,104.0,A4B8CD12E_mP104_7_8a_16a_2a_24a_2a:C-H-Na-O-Y +mp-707239,H8C2SeS2(BrN2)2,-5.3374527766,-0.3995587283,0.112136859,0.112136859,GGA,P2_1/c,A2B2C8D4E2F_mP76_14_2e_2e_8e_4e_2e_e:Br-C-H-N-S-Se,76.0,A2B2C8D4E2F_mP76_14_2e_2e_8e_4e_2e_e:Br-C-H-N-S-Se +mp-600217,H10C5SeS2BrN3,-5.5687185857,-0.1868134844,0.2130846125,0.2130846125,GGA,Pbca,AB5C10D3E2F_oP176_61_c_5c_10c_3c_2c_c:Br-C-H-N-S-Se,176.0,"Invalid WP multiplicities - AB5C10D3E2F_oP176_61_c_33c_76c_15c_9c_c:Br-C-H-N-S-Se, expected H76C33SeS9BrN15 to be H10C5SeS2BrN3" +mp-1204113,H12C4Se3Br6N,-4.413710502,-0.345642277,0.0989798993,0.0989798993,GGA,P2_1/c,A6B4C12DE3_mP208_14_12e_8e_24e_2e_6e:Br-C-H-N-Se,208.0,A6B4C12DE3_mP208_14_12e_8e_24e_2e_6e:Br-C-H-N-Se +mp-1199113,NaTbP2H2CO7,-6.8908858977000005,-2.0748548285,0.4149357408,0.4149357408,GGA,P2_1/c,AB2CD7E2F_mP56_14_e_2e_e_7e_2e_e:C-H-Na-O-P-Tb,56.0,AB2CD7E2F_mP56_14_e_2e_e_7e_2e_e:C-H-Na-O-P-Tb +mp-767529,Na2TbPCO7,-7.4742429037,-2.7618924317,0.0274830252,0.0274830252,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Tb,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Tb, expected Na2TbPCO13 to be Na2TbPCO7" +mp-6726,CsLiSO4,-6.12221087,-2.3039923056,0.0,-0.016759328,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:Cs-Li-O-S,28.0,ABC4D_mP28_14_e_e_4e_e:Cs-Li-O-S +mp-6597,CsLiSO4,-6.1188946636,-2.3006760992,0.0033162064,-0.0134431216,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cs-Li-O-S,28.0,ABC4D_oP28_62_c_c_2cd_c:Cs-Li-O-S +mp-1178457,CsLiSO4,-6.0324510611,-2.2142324967,0.0897598089,0.0730004809,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:Cs-Li-O-S,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_5c4d_c:Cs-Li-O-S, expected CsLiSO13 to be CsLiSO4" +mp-1197853,CsH2SNO3,-5.8343473862,-1.4601142128,0.0482703445,0.0482703445,GGA,P2_1/c,AB2CD3E_mP32_14_e_2e_e_3e_e:Cs-H-N-O-S,32.0,AB2CD3E_mP32_14_e_2e_e_3e_e:Cs-H-N-O-S +mp-1202437,CsH2SNO3,-5.7941838312,-1.4199506578,0.0884338995,0.0884338995,GGA,Pnma,AB2CD3E_oP32_62_c_d_c_cd_c:Cs-H-N-O-S,32.0,AB2CD3E_oP32_62_c_d_c_cd_c:Cs-H-N-O-S +mp-699459,CsLiH4S2(NO3)2,-5.8979993522,-1.4604211478,0.0644478185,0.0644478185,GGA,P-1,AB4CD2E6F2_aP32_2_i_4i_i_2i_6i_2i:Cs-H-Li-N-O-S,32.0,AB4CD2E6F2_aP32_2_i_4i_i_2i_6i_2i:Cs-H-Li-N-O-S +mp-773494,CsH5S2(NO3)2,-5.8579927422,-1.3276768392,0.0460904671,0.0460904671,GGA,P2_12_12_1,AB5C2D6E2_oP64_19_a_5a_2a_6a_2a:Cs-H-N-O-S,64.0,"Invalid WP multiplicities - AB5C2D6E2_oP64_19_a_17a_5a_21a_5a:Cs-H-N-O-S, expected CsH17S5N5O21 to be CsH5S2(NO3)2" +mp-643288,CsLi2(H2N)3,-4.3043456271,-0.1310881979,0.4094074232,0.4094074232,GGA,Cmcm,AB6C2D3_oC48_63_c_3g_e_cg:Cs-H-Li-N,24.0,AB6C2D3_oC48_63_c_3g_e_cg:Cs-H-Li-N +mp-642740,CsLi(H2N)2,-4.6456700429,-0.5146426343,0.0,-0.03703265,GGA,P6_222,AB4CD2_hP24_180_c_k_b_i:Cs-H-Li-N,24.0,AB4CD2_hP24_180_c_k_b_i:Cs-H-Li-N +mp-556600,CsS2N3O4,-6.4319461838,-1.0354920112,0.232941737,0.232941737,GGA,P2_1/c,AB3C4D2_mP40_14_e_3e_4e_2e:Cs-N-O-S,40.0,"Invalid WP multiplicities - AB3C4D2_mP40_14_e_11e_15e_6e:Cs-N-O-S, expected CsS6N11O15 to be CsS2N3O4" +mp-755891,CsLiH4SO5,-5.4636072258,-1.6931803223,0.0475024656,0.0475024656,GGA,Cm,AB4CD5E_mC24_8_a_2ab_a_3ab_a:Cs-H-Li-O-S,12.0,AB4CD5E_mC24_8_a_2ab_a_3ab_a:Cs-H-Li-O-S +mp-1197013,B2AsH13C3Br3N,-4.7916632646,-0.3218842679,0.1540805626,0.1540805626,GGA,P2_1/c,AB2C3D3E13F_mP92_14_e_2e_3e_3e_13e_e:As-B-Br-C-H-N,92.0,AB2C3D3E13F_mP92_14_e_2e_3e_3e_13e_e:As-B-Br-C-H-N +mp-725081,KHgC2N2ClO,-5.4989937094,-0.0815405196,0.8149575280000001,0.8149575280000001,GGA,Pnma,A2BCDE2F_oP32_62_2c_c_c_c_2c_c:C-Cl-Hg-K-N-O,32.0,A2BCDE2F_oP32_62_2c_c_c_c_2c_c:C-Cl-Hg-K-N-O +mp-18376,KHgC3(NO)3,-7.1256821586,-0.8575342770000001,0.082140011,0.082140011,GGA,Pnma,A3BCD3E3_oP44_62_3c_c_c_3c_3c:C-Hg-K-N-O,44.0,"Invalid WP multiplicities - A3BCD3E3_oP44_62_3c_c_c_5c_5c:C-Hg-K-N-O, expected KHgC3(NO)5 to be KHgC3(NO)3" +mp-561386,K2Hg3C8(NO)8,-7.1112734559,-0.7931137311,0.1028816527,0.1028816527,GGA,P-1,A8B3C2D8E8_aP29_2_4i_ai_i_4i_4i:C-Hg-K-N-O,29.0,"Invalid WP multiplicities - A8B3C2D8E8_aP29_2_7i_a2i_i_6i_7i:C-Hg-K-N-O, expected K2Hg5C14(N6O7)2 to be K2Hg3C8(NO)8" +mp-644129,KNiPH2O5,-6.3952853205,-2.0130119425,0.0,-0.003980035,GGA+U,Pmn2_1,A2BCD5E_oP20_31_b_a_a_3ab_a:H-K-Ni-O-P,40.0,A2BCD5E_oP20_31_b_a_a_3ab_a:H-K-Ni-O-P +mp-734394,KAlP2H4O9,-6.6894402271,-2.3498118523,0.0098228704,0.0098228704,GGA,P2_1/c,AB4CD9E2_mP136_14_2e_8e_2e_18e_4e:Al-H-K-O-P,136.0,AB4CD9E2_mP136_14_2e_8e_2e_18e_4e:Al-H-K-O-P +mp-720723,KAl2NiP3(H2O7)2,-6.9962981726,-2.4584525348,0.0,-0.0007993913,GGA+U,C2/c,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Al-H-K-Ni-O-P,50.0,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Al-H-K-Ni-O-P +mp-1211858,KAl2NiP3O14,-7.1316063943,-2.3756427388,0.1838336642,0.1838336642,GGA+U,C2/c,A2BCD14E3_mC84_15_f_e_e_7f_ef:Al-K-Ni-O-P,42.0,A2BCD14E3_mC84_15_f_e_e_7f_ef:Al-K-Ni-O-P +mp-758536,KAl2P2H4O11,-6.7287677411,-2.3581359599,0.0909529555,0.0909529555,GGA,P2_12_12_1,A2B4CD11E2_oP80_19_2a_4a_a_11a_2a:Al-H-K-O-P,80.0,"Invalid WP multiplicities - A2B4CD11E2_oP80_19_5a_13a_a_41a_5a:Al-H-K-O-P, expected KAl5P5H13O41 to be KAl2P2H4O11" +mp-1256014,KAl2P2H4O11,-6.748192467,-2.3775606858,0.0715282297,0.0715282297,GGA,P2_12_12_1,A2B4CD11E2_oP80_19_2a_4a_a_11a_2a:Al-H-K-O-P,80.0,"Invalid WP multiplicities - A2B4CD11E2_oP80_19_5a_13a_a_41a_5a:Al-H-K-O-P, expected KAl5P5H13O41 to be KAl2P2H4O11" +mp-541870,KAl2P2H5O11,-6.739666585,-2.4156017436,0.0056414337,0.0056414337,GGA,P2_1/c,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Al-H-K-O-P,84.0,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Al-H-K-O-P +mp-730945,KAl2P2H5O11,-6.7384059469,-2.4143411055,0.0069020718,0.0069020718,GGA,P2_12_12_1,A2B5CD11E2_oP84_19_2a_5a_a_11a_2a:Al-H-K-O-P,84.0,A2B5CD11E2_oP84_19_2a_5a_a_11a_2a:Al-H-K-O-P +mp-1197829,KAl2P2H9O13,-6.3892517893,-2.1570427792,0.0110472521,0.0110472521,GGA,Pba2,A2B9CD13E2_oP54_32_c_a4c_b_a6c_c:Al-H-K-O-P,54.0,A2B9CD13E2_oP54_32_c_a4c_b_a6c_c:Al-H-K-O-P +mp-722684,KAlP4(H2O7)2,-7.0004630408,-2.4448909183,0.0,-0.0041866577,GGA,P-1,AB4CD14E4_aP24_2_a_2i_c_7i_2i:Al-H-K-O-P,24.0,AB4CD14E4_aP24_2_a_2i_c_7i_2i:Al-H-K-O-P +mp-1198719,K3Al5P8(H21O25)2,-6.2042962737,-1.9895330747,0.0057779189,0.0057779189,GGA,R-3c,A5B42C3D50E8_hR648_167_a2c_7f_e_c8f_cf:Al-H-K-O-P,216.0,A5B42C3D50E8_hR648_167_a2c_7f_e_c8f_cf:Al-H-K-O-P +mp-1246265,CoNi5N4,-6.8252794795,0.11021861,0.1647238372,0.1647238372,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Co-N-Ni,20.0,AB4C5_oP20_59_a_ef_bg:Co-N-Ni +mp-728693,CoNiH12C4(N2O3)2,-6.1185207747,-0.6348800264000001,0.258623781,0.258623781,GGA+U,Pnma,A4BC12D4EF6_oP112_62_2d_a_2c5d_2d_c_2c2d:C-Co-H-N-Ni-O,112.0,A4BC12D4EF6_oP112_62_2d_a_2c5d_2d_c_2c2d:C-Co-H-N-Ni-O +mp-1246020,CoNiN,-7.0431450733,0.03183806,0.0935923335,0.0935923335,GGA,P-6m2,ABC_hP3_187_c_a_b:Co-N-Ni,3.0,ABC_hP3_187_c_a_b:Co-N-Ni +mp-1247156,Co(NiN)2,-6.834893766,0.233422435,0.2947584743,0.2947584743,GGA,I4/mmm,AB2C2_tI10_139_a_e_e:Co-N-Ni,5.0,AB2C2_tI10_139_a_e_e:Co-N-Ni +mp-1245878,Co2NiN2,-7.24926122,0.084691204,0.1512968641,0.1512968641,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Co-N-Ni,5.0,A2B2C_tI10_139_e_e_a:Co-N-Ni +mp-1245646,Co2NiN2,-7.317159384,0.01679304,0.0833987001,0.0833987001,GGA,R-3m,A2B2C_hR15_166_c_c_a:Co-N-Ni,5.0,A2B2C_hR15_166_c_c_a:Co-N-Ni +mp-1246516,Co5NiN4,-7.3853196415,0.081450894,0.1464953627,0.1464953627,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Co-N-Ni,20.0,A5B4C_oP20_59_ag_ef_b:Co-N-Ni +mp-1190879,K5MoC7N7O,-7.1566267067,-0.2851763982,0.3177789354,0.3177789354,GGA+U,P1,A7B5CD7E_aP21_1_7a_5a_a_7a_a:C-K-Mo-N-O,21.0,A7B5CD7E_aP21_1_7a_5a_a_7a_a:C-K-Mo-N-O +mp-1181187,K4MoC4(NO2)4,-6.1979487893,-0.2397870151,1.2762766803,1.2762766803,GGA+U,P2_1/c,A4B4CD4E8_mP42_14_2e_2e_a_2e_4e:C-K-Mo-N-O,42.0,A4B4CD4E8_mP42_14_2e_2e_a_2e_4e:C-K-Mo-N-O +mp-1212303,K4MoC4(N2O)2,-7.0794499233,-0.716698924,0.2037868048,0.2037868048,GGA+U,P2_1/c,A4B4CD4E2_mP30_14_2e_2e_a_2e_e:C-K-Mo-N-O,30.0,A4B4CD4E2_mP30_14_2e_2e_a_2e_e:C-K-Mo-N-O +mp-705070,K4MoC5N6O,-7.2715364869,-0.4246993327,0.2294179545,0.2294179545,GGA+U,Pbca,A5B4CD6E_oP136_61_5c_4c_c_6c_c:C-K-Mo-N-O,136.0,"Invalid WP multiplicities - A5B4CD6E_oP136_61_35c_26c_c_43c_c:C-K-Mo-N-O, expected K26MoC35N43O to be K4MoC5N6O" +mp-1212132,K3NaMoC4(N2O)2,-6.9474920247,-0.5705992689,0.3470387601,0.3470387601,GGA+U,Pmna,A4B3CD4EF2_oP30_53_eh_bg_a_eh_c_h:C-K-Mo-N-Na-O,30.0,A4B3CD4EF2_oP30_53_eh_bg_a_eh_c_h:C-K-Mo-N-Na-O +mp-1190554,BaReH9,-4.2697012259000005,-0.1880615414,0.2326443759,0.0268355618,GGA,P2_1/m,AB9C_mP22_11_a_3e3f_e:Ba-H-Re,22.0,AB9C_mP22_11_a_3e3f_e:Ba-H-Re +mp-1191044,BaReH9,-4.2712993914,-0.1896597068,0.2310462105,0.0252373964,GGA,P2_1/m,AB9C_mP22_11_a_3e3f_e:Ba-H-Re,22.0,AB9C_mP22_11_a_3e3f_e:Ba-H-Re +mp-1191721,BaReH9,-4.4869798450000005,-0.4053401605,0.0153657568,-0.1904430573,GGA,P2_1/m,AB9C_mP22_11_a_3e3f_e:Ba-H-Re,22.0,AB9C_mP22_11_a_3e3f_e:Ba-H-Re +mp-1190967,BaReH9,-4.4808558373,-0.3992161527,0.0214897645,-0.1843190495,GGA,Cmcm,AB9C_oC44_63_a_cfgh_c:Ba-H-Re,22.0,AB9C_oC44_63_a_cfgh_c:Ba-H-Re +mp-1191062,BaReH9,-4.4968374109,-0.4151977264,0.0055081909,-0.2003006232,GGA,Cmcm,AB9C_oC44_63_a_cfgh_c:Ba-H-Re,22.0,AB9C_oC44_63_a_cfgh_c:Ba-H-Re +mp-1182236,BaReH9,-4.4284977967,-0.3468581121,0.0738478052,-0.1319610089,GGA,P3,AB9C_hP33_143_abc_9d_abc:Ba-H-Re,33.0,AB9C_hP33_143_abc_9d_abc:Ba-H-Re +mp-1095506,BaReH9,-4.4354334709,-0.3537937864,0.0669121309,-0.1388966832,GGA,R32,AB9C_hR33_155_b_df_a:Ba-H-Re,11.0,AB9C_hR33_155_b_df_a:Ba-H-Re +mp-28911,BaReH9,-4.5023456018,-0.4207059173,0.0,-0.2058088141,GGA,P6_3/mmc,AB9C_hP22_194_a_hk_c:Ba-H-Re,22.0,"Invalid WP multiplicities - AB9C_hP22_194_a_h2k_c:Ba-H-Re, expected BaReH15 to be BaReH9" +mp-740752,BaRe2(H2O3)4,-6.790267167,-1.8637409841,0.0116981526,0.0116981526,GGA,P2_1/c,AB8C12D2_mP92_14_e_8e_12e_2e:Ba-H-O-Re,92.0,AB8C12D2_mP92_14_e_8e_12e_2e:Ba-H-O-Re +mp-555095,Ba5Re3NO18,-7.9051133931,-2.5604708753,0.0,-0.0667070715,GGA,P6_3cm,A5BC18D3_hP54_185_bc_a_2c2d_c:Ba-N-O-Re,54.0,"Invalid WP multiplicities - A5BC18D3_hP54_185_3b4c_a_11c17d_c:Ba-N-O-Re, expected Ba18Re3NO135 to be Ba5Re3NO18" +mp-722880,BaRe2H12C3N6O11,-6.9854268301,-1.2814472957,0.0068288937,0.0068288937,GGA,P2_1/c,AB3C12D6E11F2_mP140_14_e_3e_12e_6e_11e_2e:Ba-C-H-N-O-Re,140.0,AB3C12D6E11F2_mP140_14_e_3e_12e_6e_11e_2e:Ba-C-H-N-O-Re +mp-1104571,Ba6Re2N6O,-7.1897227993,-1.0984853146,0.0,-0.0404746413,GGA,R-3,A6B6CD2_hR45_148_f_f_a_c:Ba-N-O-Re,15.0,A6B6CD2_hR45_148_f_f_a_c:Ba-N-O-Re +mp-1106001,BaReH7,-4.4919218083,-0.2571902039,0.1678426256,0.1678426256,GGA,P2_1/m,AB7C_mP18_11_a_3e2f_e:Ba-H-Re,18.0,AB7C_mP18_11_a_3e2f_e:Ba-H-Re +mp-1188671,BaReH7,-4.4973836194,-0.262652015,0.1623808144,0.1623808144,GGA,P2_1/m,AB7C_mP18_11_a_e3f_e:Ba-H-Re,18.0,AB7C_mP18_11_a_e3f_e:Ba-H-Re +mp-1215113,BaRe2C3N6O11,-7.865406101,-0.9555551809,0.6032628404,0.6032628404,GGA,P2_1/c,AB3C6D11E2_mP92_14_e_3e_6e_11e_2e:Ba-C-N-O-Re,92.0,AB3C6D11E2_mP92_14_e_3e_6e_11e_2e:Ba-C-N-O-Re +mp-695984,BaRe2H2O9,-7.8364495545,-2.2569009972,0.0,-0.1224256213,GGA,P-1,AB2C9D2_aP56_2_2i_4i_18i_4i:Ba-H-O-Re,56.0,AB2C9D2_aP56_2_2i_4i_18i_4i:Ba-H-O-Re +mp-1228940,Ba10Re6CO30,-7.9254688064,-2.5746977566,0.1128038805,0.1128038805,GGA,P31m,A10BC30D6_hP47_157_2b2c_a_2c4d_2c:Ba-C-O-Re,47.0,A10BC30D6_hP47_157_2b2c_a_2c4d_2c:Ba-C-O-Re +mp-633158,NaTeH6O6F,-5.2945938433,-1.5336739305,0.0,-0.0067337047,GGA,R3,AB6CD6E_hR45_146_a_2b_a_2b_a:F-H-Na-O-Te,15.0,AB6CD6E_hR45_146_a_2b_a_2b_a:F-H-Na-O-Te +mp-758235,Na2TeH5SO10,-5.5678707218,-1.5491694753,0.0603064524,0.0603064524,GGA,Cc,A5B2C10DE_mC76_9_5a_2a_10a_a_a:H-Na-O-S-Te,38.0,"Invalid WP multiplicities - A5B2C10DE_mC76_9_10a_4a_20a_a_a:H-Na-O-S-Te, expected Na4TeH10SO20 to be Na2TeH5SO10" +mp-1210414,Na2TeH6SO10,-5.613693809,-1.6262913225,0.0,-0.001121493,GGA,Cc,A6B2C10DE_mC80_9_6a_2a_10a_a_a:H-Na-O-S-Te,40.0,A6B2C10DE_mC80_9_6a_2a_10a_a_a:H-Na-O-S-Te +mp-29355,NaTeF5,-4.6862729189,-2.6829549155,0.0,-0.07965665,GGA,Pnma,A5BC_oP28_62_c2d_c_c:F-Na-Te,28.0,"Invalid WP multiplicities - A5BC_oP28_62_c6d_c_c:F-Na-Te, expected NaTeF13 to be NaTeF5" +mp-696485,Na2TeHSO5F3,-5.5136007154,-2.1454920345,0.0164789242,0.0164789242,GGA,P2_1/c,A3BC2D5EF_mP52_14_3e_e_2e_5e_e_e:F-H-Na-O-S-Te,52.0,A3BC2D5EF_mP52_14_3e_e_2e_5e_e_e:F-H-Na-O-S-Te +mp-1195112,Ba11B26P2(H3O29)2,-7.9057492196,-2.9264888611,0.0,-0.000991586,GGA,P2_1/c,A26B11C6D58E2_mP206_14_13e_a5e_3e_29e_e:B-Ba-H-O-P,206.0,A26B11C6D58E2_mP206_14_13e_a5e_3e_29e_e:B-Ba-H-O-P +mp-18735,Ba2Co(BO2)6,-8.1233577993,-2.8670300452,0.0606004352,0.0606004352,GGA+U,R-3,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Co-O,42.0,A6B2CD12_hR63_148_f_c_a_2f:B-Ba-Co-O +mp-644003,BaCo2P2H2O9,-7.2018677772,-2.31012615,0.0175035105,0.0175035105,GGA+U,C2,AB2C2D9E2_mC32_5_a_c_c_b4c_c:Ba-Co-H-O-P,32.0,AB2C2D9E2_mC32_5_a_c_c_b4c_c:Ba-Co-H-O-P +mp-24828,BaCoBP2HO9,-7.583138013,-2.620057082,0.0299788228,0.0299788228,GGA+U,P-1,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-Ba-Co-H-O-P,60.0,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-Ba-Co-H-O-P +mp-1199784,ZrC3(NO4)3,-7.4202358768,-1.0726860654,0.5851699074,0.5851699074,GGA,P2_1/c,A3B3C12D_mP76_14_3e_3e_12e_e:C-N-O-Zr,76.0,A3B3C12D_mP76_14_3e_3e_12e_e:C-N-O-Zr +mp-1246335,Zr(NiN)4,-7.4444082033,-0.2206051978,0.2503348641,0.2503348641,GGA,P-1,A4B4C_aP18_2_4i_4i_i:N-Ni-Zr,18.0,A4B4C_aP18_2_4i_4i_i:N-Ni-Zr +mp-1194181,Zr4Ni2N,-8.5498753896,-0.8230795604000001,0.0094726375,0.0094726375,GGA,Fd-3m,AB2C4_cF112_227_c_e_df:N-Ni-Zr,28.0,AB2C4_cF112_227_c_e_df:N-Ni-Zr +mp-600208,ZrH36C16(NO4)4,-6.1683053966,-0.8143672431000001,0.1541183812,0.1541183812,GGA,P2_1,A16B36C4D16E_mP146_4_16a_36a_4a_16a_a:C-H-N-O-Zr,146.0,"Invalid WP multiplicities - A16B36C4D16E_mP146_4_30a_72a_7a_31a_a:C-H-N-O-Zr, expected ZrH72C30N7O31 to be ZrH36C16(NO4)4" +mp-1192638,Cs4U3Si4O17,-8.3753748182,-3.2592741136,0.0,-0.0396127888,GGA,C2/m,A4B17C4D3_mC56_12_2i_a2i3j_j_ci:Cs-O-Si-U,28.0,A4B17C4D3_mC56_12_2i_a2i3j_j_di:Cs-O-Si-U +mp-1197866,Cs2U(Si2O5)3,-8.215845936000001,-3.2227437026,0.0,-0.0277902855,GGA,Cmc2_1,A2B15C6D_oC96_36_2a_5a5b_2a2b_a:Cs-O-Si-U,48.0,A2B15C6D_oC96_36_2a_5a5b_2a2b_a:Cs-O-Si-U +mp-862811,Cs2KU2(Si2O7)2,-8.3030176987,-3.2404551861,0.0,-0.0107521604,GGA,Cmmm,A2BC14D4E2_oC46_65_h_a_gjlr_n_e:Cs-K-O-Si-U,23.0,"Invalid WP multiplicities - A2BC14D4E2_oC46_65_h_a_2gjlr_n_e:Cs-K-O-Si-U, expected Cs2KU2(SiO4)4 to be Cs2KU2(Si2O7)2" +mp-1229170,Cs2KSiF7,-5.2927716814,-3.3194194547,0.0290811677,0.0290811677,GGA,Cmmm,A2B7CD_oC44_65_eh_fgino_j_ab:Cs-F-K-Si,22.0,"Invalid WP multiplicities - A2B7CD_oC44_65_eh_fgi2n2o_j_ab:Cs-F-K-Si, expected Cs2KSiF11 to be Cs2KSiF7" +mp-1200353,Cs4K3U3Si4O20F,-7.8378547579,-3.1711815672,0.0,-0.0122020118,GGA,Cmc2_1,A4BC3D20E4F3_oC140_36_2b_a_3a_8a6b_2b_3a:Cs-F-K-O-Si-U,70.0,A4BC3D20E4F3_oC140_36_2b_a_3a_8a6b_2b_3a:Cs-F-K-O-Si-U +mp-581584,Cs2U(SiO4)2,-8.086096862,-3.2009922079,0.0,-0.058804339,GGA,Ibca,A2B8C2D_oI208_73_cd2e_cd7f_2f_ab:Cs-O-Si-U,104.0,"Invalid WP multiplicities - A2B8C2D_oI208_73_3c4d7e_4c4d50f_10f_2a2b:Cs-O-Si-U, expected Cs7U2(Si5O27)2 to be Cs2U(SiO4)2" +mp-1202563,As2PHBr3F11,-4.4470132114,-2.0131454895,0.1554099708,0.1554099708,GGA,P2_1/m,A2B3C11DE_mP36_11_2e_ef_5e3f_e_e:As-Br-F-H-P,36.0,A2B3C11DE_mP36_11_2e_ef_5e3f_e_e:As-Br-F-H-P +mp-1203315,AsPHBr3OF6,-4.5934840238,-1.9365767575,0.0618212942,0.0618212942,GGA,Pnma,AB3C6DEF_oP52_62_c_cd_4cd_c_c_c:As-Br-F-H-O-P,52.0,AB3C6DEF_oP52_62_c_cd_4cd_c_c_c:As-Br-F-H-O-P +mp-1198272,TaH24C8N4Cl,-5.584763872,-0.2608943191,0.1419775593,0.1419775593,GGA,P2_1/c,A8BC24D4E_mP152_14_8e_e_24e_4e_e:C-Cl-H-N-Ta,152.0,A8BC24D4E_mP152_14_8e_e_24e_4e_e:C-Cl-H-N-Ta +mp-571507,TaH20C6N3Cl4,-5.401381569,-0.4752661896,0.100773266,0.100773266,GGA,P2_1/c,A6B4C20D3E_mP136_14_6e_4e_20e_3e_e:C-Cl-H-N-Ta,136.0,"Invalid WP multiplicities - A6B4C20D3E_mP136_14_20e_13e_78e_12e_e:C-Cl-H-N-Ta, expected TaH78C20N12Cl13 to be TaH20C6N3Cl4" +mp-734438,TaCN(ClO)2,-6.3852603607,-0.2404905336,1.5930452961,1.5930452961,GGA,F4_132,AB2CD2E_cF336_210_f_h_f_h_f:C-Cl-N-O-Ta,84.0,AB2CD2E_cF336_210_f_h_f_h_f:C-Cl-N-O-Ta +mp-1198552,Ta2H36C12N6Cl2O,-5.6959952926,-0.3525985066,0.1428892145,0.1428892145,GGA,P2_1/c,A12B2C36D6EF2_mP236_14_12e_2e_36e_6e_e_2e:C-Cl-H-N-O-Ta,236.0,A12B2C36D6EF2_mP236_14_12e_2e_36e_6e_e_2e:C-Cl-H-N-O-Ta +mp-777563,Ta2H15N6Cl7,-5.4601169095,-0.8746111727,0.0913058987,0.0913058987,GGA,Cmcm,A7B15C6D2_oC120_63_cefg_c2f3gh_2cfg_ac:Cl-H-N-Ta,60.0,"Invalid WP multiplicities - A7B15C6D2_oC120_63_2c2e2f3g_2c5f12g3h_4c3f3g_ac:Cl-H-N-Ta, expected TaH24(NCl)8 to be Ta2H15N6Cl7" +mp-505498,PH8BrN4,-4.7830550254,0.0350963244,0.6327681341,0.6327681341,GGA,P4/nbm,AB8C4D_tP28_125_a_n_m_d:Br-H-N-P,28.0,AB8C4D_tP28_125_a_n_m_d:Br-H-N-P +mp-758953,P2H12BrN7,-5.624776593,-0.5589670312,0.0081604945,0.0081604945,GGA,P-1,AB12C7D2_aP44_2_i_12i_7i_2i:Br-H-N-P,44.0,"Invalid WP multiplicities - AB12C7D2_aP44_2_i_23i_13i_3i:Br-H-N-P, expected P3H23BrN13 to be P2H12BrN7" +mp-24830,SiP3H29C10BrN,-5.1675258447,-0.2290711995,0.0632762108,0.0632762108,GGA,P2_1/c,AB10C29DE3F_mP180_14_e_10e_29e_e_3e_e:Br-C-H-N-P-Si,180.0,"Invalid WP multiplicities - AB10C29DE3F_mP180_14_e_12e_29e_e_5e_e:Br-C-H-N-P-Si, expected SiP5H29C12BrN to be SiP3H29C10BrN" +mp-567146,Si3PH27C9BrN2,-5.2308997719,-0.2407400643,0.1151532876,0.1151532876,GGA,P-1,AB9C27D2EF3_aP86_2_i_9i_27i_2i_i_3i:Br-C-H-N-P-Si,86.0,"Invalid WP multiplicities - AB9C27D2EF3_aP86_2_i_17i_53i_4i_i_6i:Br-C-H-N-P-Si, expected Si6PH53C17BrN4 to be Si3PH27C9BrN2" +mp-24283,PH9C3Br3N,-4.8513488176,-0.3437362703,0.1344353079,0.1344353079,GGA,P2_1/c,A3B3C9DE_mP68_14_3e_3e_9e_e_e:Br-C-H-N-P,68.0,"Invalid WP multiplicities - A3B3C9DE_mP68_14_3e_3e_13e_e_e:Br-C-H-N-P, expected PH13C3Br3N to be PH9C3Br3N" +mp-1209884,PH4BrN4,-4.5801397765,0.8081816952,1.3735494557,1.3735494557,GGA,P4/nbm,AB4C4D_tP40_125_e_n_n_f:Br-H-N-P,40.0,AB4C4D_tP40_125_e_n_n_f:Br-H-N-P +mp-995232,H6PbCBr3N,-4.5558873785,-0.6981166496,0.0470433597,0.0470433597,GGA,P1,A3BC6DE_aP48_1_12a_4a_24a_4a_4a:Br-C-H-N-Pb,48.0,A3BC6DE_aP48_1_12a_4a_24a_4a_4a:Br-C-H-N-Pb +mp-977012,H6PbCBr3N,-4.5655418458,-0.7077711169,0.0373888924,0.0373888924,GGA,Pm,A3BC6DE_mP12_6_a2b_a_2a2c_a_b:Br-C-H-N-Pb,12.0,"Invalid WP multiplicities - A3BC6DE_mP12_6_a2b_a_2a4c_a_b:Br-C-H-N-Pb, expected H10PbCBr3N to be H6PbCBr3N" +mp-732337,H6PbCBr3N,-4.5674075281,-0.7096367992,0.0355232101,0.0355232101,GGA,Pnma,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Pb,48.0,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Pb +mp-1239240,H6PbCBr3N,-4.5532262679,-0.695455539,0.0497044703,0.0497044703,GGA,Pnma,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Pb,48.0,A3BC6DE_oP48_62_cd_c_2c2d_c_a:Br-C-H-N-Pb +mp-1212907,H5PbC2SBrN6,-6.1171909237,-0.1895624221,0.2524121197,0.2524121197,GGA,P2_1/c,AB2C5D6EF_mP64_14_e_2e_5e_6e_e_e:Br-C-H-N-Pb-S,64.0,AB2C5D6EF_mP64_14_e_2e_5e_6e_e_e:Br-C-H-N-Pb-S +mp-1104819,PbCS(BrN)2,-5.4023616879,-0.1371032679,0.5034254132,0.5034254132,GGA,P2_1,A2BC2DE_mP14_4_2a_a_2a_a_a:Br-C-N-Pb-S,14.0,A2BC2DE_mP14_4_2a_a_2a_a_a:Br-C-N-Pb-S +mp-1179978,PbCS(BrN)2,-5.1226462986,0.1426121213,0.7831408025000001,0.7831408025000001,GGA,P2_1,A2BC2DE_mP14_4_2a_a_2a_a_a:Br-C-N-Pb-S,14.0,A2BC2DE_mP14_4_2a_a_2a_a_a:Br-C-N-Pb-S +mp-1192518,PbCBr3N,-4.7236498221000005,-0.4008344092,0.332903282,0.332903282,GGA,Pnma,A3BCD_oP24_62_cd_c_c_a:Br-C-N-Pb,24.0,A3BCD_oP24_62_cd_c_c_a:Br-C-N-Pb +mp-1192716,PbC2S2(BrN2)2,-5.9000175695,0.1813382622,0.6285595148,0.6285595148,GGA,P2_1,A2B2C4DE2_mP22_4_2a_2a_4a_a_2a:Br-C-N-Pb-S,22.0,A2B2C4DE2_mP22_4_2a_2a_4a_a_2a:Br-C-N-Pb-S +mp-733454,PbC2S2(BrN2)2,-5.7992496686,0.2821061631,0.7293274157,0.7293274157,GGA,P2_1,A2B2C4DE2_mP22_4_2a_2a_4a_a_2a:Br-C-N-Pb-S,22.0,A2B2C4DE2_mP22_4_2a_2a_4a_a_2a:Br-C-N-Pb-S +mp-2647056,H5PbCBr3N2,-4.9701323,-0.700380831,0.0585717928,0.0585717928,GGA,Pmm2,A3BC5D2E_oP12_25_abd_c_c2e_e_b:Br-C-H-N-Pb,12.0,A3BC5D2E_oP12_25_abd_c_c2e_e_b:Br-C-H-N-Pb +mp-738680,ZrH27C8N2Cl5O2,-5.2705267657,-0.6085339133000001,0.0886722593,0.0886722593,GGA,P2_12_12_1,A8B5C27D2E2F_oP180_19_8a_5a_27a_2a_2a_a:C-Cl-H-N-O-Zr,180.0,A8B5C27D2E2F_oP180_19_8a_5a_27a_2a_2a_a:C-Cl-H-N-O-Zr +mp-2712935,YSnP(SO6)2,-7.3319325751,-2.4188437666,0.0375942543,0.0375942543,GGA,Cc,A12BC2DE_mC204_9_36a_3a_6a_3a_3a:O-P-S-Sn-Y,102.0,"Invalid WP multiplicities - A12BC2DE_mC204_9_60a_3a_9a_3a_3a:O-P-S-Sn-Y, expected YSnPS3O20 to be YSnP(SO6)2" +mp-2716294,NaY2Sn2P3(SO8)3,-7.374007279,-2.5270244955,0.0632345034,0.0632345034,GGA,P1,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sn-Y,105.0,AB24C3D3E2F2_aP105_1_3a_72a_9a_9a_6a_6a:Na-O-P-S-Sn-Y +mp-2712801,NaYSnP2SO12,-7.4167396102,-2.6321902948,0.0557293799,0.0557293799,GGA,Cc,AB12C2DEF_mC72_9_a_12a_2a_a_a_a:Na-O-P-S-Sn-Y,108.0,"Invalid WP multiplicities - AB12C2DEF_mC72_9_a_60a_7a_a_a_a:Na-O-P-S-Sn-Y, expected NaYSnP7SO60 to be NaYSnP2SO12" +mp-2716093,Na3Y2Sn2P5SO24,-7.4581516772,-2.7326610478,0.0476403473,0.0476403473,GGA,P1,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Y,111.0,A3B24C5DE2F2_aP111_1_9a_72a_15a_3a_6a_6a:Na-O-P-S-Sn-Y +mp-2716284,NaY2Ge2P3(SO8)3,-7.3584676719,-2.4764302599,0.0872283343,0.0872283343,GGA,P1,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ge-Na-O-P-S-Y,105.0,A2BC24D3E3F2_aP105_1_6a_3a_72a_9a_9a_6a:Ge-Na-O-P-S-Y +mp-2715868,Na3Y2Ge2P5SO24,-7.4455560945,-2.6869056813,0.0682331687,0.0682331687,GGA,P1,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-S-Y,111.0,A2B3C24D5EF2_aP111_1_6a_9a_72a_15a_3a_6a:Ge-Na-O-P-S-Y +mp-2714155,NaYGeP2SO12,-7.3758266382,-2.557196434,0.1048617362,0.1048617362,GGA,Cc,ABC12D2EF_mC72_9_a_a_12a_2a_a_a:Ge-Na-O-P-S-Y,108.0,"Invalid WP multiplicities - ABC12D2EF_mC72_9_a_a_60a_7a_a_a:Ge-Na-O-P-S-Y, expected NaYGeP7SO60 to be NaYGeP2SO12" +mp-2712830,YGeP(SO6)2,-7.3150460214,-2.3658715659,0.0606840889,0.0606840889,GGA,Cc,AB12CD2E_mC204_9_3a_36a_3a_6a_3a:Ge-O-P-S-Y,102.0,"Invalid WP multiplicities - AB12CD2E_mC204_9_3a_60a_3a_9a_3a:Ge-O-P-S-Y, expected YGePS3O20 to be YGeP(SO6)2" +mp-24461,H12OsN5Cl3O,-5.4325562868,-0.7000629556,0.0223928742,0.0223928742,GGA,I4mm,A3B12C5DE_tI44_107_ab_ce_ac_a_a:Cl-H-N-O-Os,22.0,A3B12C5DE_tI44_107_ab_ce_ac_a_a:Cl-H-N-O-Os +mp-1106210,KOsN(Cl2O)2,-4.7124880617,-0.4945119101,0.7664573649,0.7664573649,GGA,Cmc2_1,A4BCD2E_oC36_36_2b_a_a_2a_a:Cl-K-N-O-Os,18.0,A4BCD2E_oC36_36_2b_a_a_2a_a:Cl-K-N-O-Os +mp-695694,KH18OsN6(ClO2)4,-5.0598790245,-0.5758405753,0.4946579618,0.4946579618,GGA,P1,A4B18CD6E8F_aP38_1_4a_18a_a_6a_8a_a:Cl-H-K-N-O-Os,38.0,A4B18CD6E8F_aP38_1_4a_18a_a_6a_8a_a:Cl-H-K-N-O-Os +mp-541901,KH18OsN6(ClO2)4,-5.1702618182,-0.686223369,0.3842751681,0.3842751681,GGA,R-3,A4B18CD6E8F_hR114_148_2c_3f_a_f_cf_b:Cl-H-K-N-O-Os,38.0,A4B18CD6E8F_hR114_148_2c_3f_a_f_cf_b:Cl-H-K-N-O-Os +mp-707822,H26Os2N12Cl4O9,-5.5741609592,-0.6191063145,0.2525202834,0.2525202834,GGA,C2/c,A4B26C12D9E2_mC212_15_2f_13f_6f_e4f_f:Cl-H-N-O-Os,106.0,A4B26C12D9E2_mC212_15_2f_13f_6f_e4f_f:Cl-H-N-O-Os +mp-1212248,K2H3OsN2O7,-5.6263493993,-0.6312724468,0.7689574148,0.7689574148,GGA,P2_1/c,A3B2C2D7E_mP60_14_3e_2e_2e_7e_e:H-K-N-O-Os,60.0,A3B2C2D7E_mP60_14_3e_2e_2e_7e_e:H-K-N-O-Os +mp-556774,K2OsN3Cl3O5,-6.1473980493,-1.2376335039,0.0569381381,0.0569381381,GGA,P-1,A3B2C3D5E_aP28_2_3i_2i_3i_5i_i:Cl-K-N-O-Os,28.0,"Invalid WP multiplicities - A3B2C3D5E_aP28_2_5i_4i_5i_9i_i:Cl-K-N-O-Os, expected K4OsN5Cl5O9 to be K2OsN3Cl3O5" +mp-23097,K2Os(Cl2O)2,-5.1193819678,-1.7043053693,0.0015611517,0.0015611517,GGA,I4/mmm,A4B2C2D_tI18_139_h_d_e_a:Cl-K-O-Os,9.0,A4B2C2D_tI18_139_h_d_e_a:Cl-K-O-Os +mp-1105096,K2H4OsO6,-5.6418278254,-1.280350766,0.2742908439,0.2742908439,GGA,I4/mmm,A4B2C6D_tI26_139_h_d_eh_a:H-K-O-Os,13.0,A4B2C6D_tI26_139_h_d_eh_a:H-K-O-Os +mp-1211579,KH2OsNCl4,-4.2225742567,-0.349923142,0.7444922615,0.7444922615,GGA,Cmc2_1,A4B2CDE_oC36_36_2b_2a_a_a_a:Cl-H-K-N-Os,18.0,A4B2CDE_oC36_36_2b_2a_a_a_a:Cl-H-K-N-Os +mp-706624,H9OsN7Cl2,-5.6818381143,-0.2179202391,0.2934615331,0.2934615331,GGA,Pnma,A2B9C7D_oP76_62_d_3c3d_5cd_c:Cl-H-N-Os,76.0,A2B9C7D_oP76_62_d_3c3d_5cd_c:Cl-H-N-Os +mp-569207,K2OsNCl5,-4.754271195,-1.3067885784,0.1132030269,0.1132030269,GGA,Cmc2_1,A5B2CD_oC36_36_a2b_2a_a_a:Cl-K-N-Os,18.0,"Invalid WP multiplicities - A5B2CD_oC36_36_2a7b_4a_a_a:Cl-K-N-Os, expected K4OsNCl16 to be K2OsNCl5" +mp-1205451,K2OsNCl5,-4.7274873778,-1.2800047612,0.1399868442,0.1399868442,GGA,Cmc2_1,A5B2CD_oC36_36_a2b_2a_a_a:Cl-K-N-Os,18.0,A5B2CD_oC36_36_a2b_2a_a_a:Cl-K-N-Os +mp-640057,K2OsNCl5,-4.8223221361,-1.3748395196,0.0451520858,0.0451520858,GGA,Pnma,A5B2CD_oP36_62_3cd_d_c_c:Cl-K-N-Os,36.0,"Invalid WP multiplicities - A5B2CD_oP36_62_11c5d_d_c_c:Cl-K-N-Os, expected K2OsNCl21 to be K2OsNCl5" +mp-1097067,CsReN2,-7.8820402419,-0.3788103901,0.0,-0.0046905819,GGA,Pbcm,AB2C_oP32_57_cd_ade_cd:Cs-N-Re,32.0,AB2C_oP32_57_cd_ade_cd:Cs-N-Re +mp-1247298,Cs6ReN4,-4.7403550709,-0.0891804239,0.175832263,0.175832263,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Cs-N-Re,22.0,A6B4C_tP22_137_df_g_a:Cs-N-Re +mp-555611,Cs3KRe6C6(S4N3)2,-7.8940637038,-0.6625193501000001,0.0033157526,0.0033157526,GGA,Ia-3,A6B3CD6E6F8_cI240_206_e_d_a_e_e_ce:C-Cs-K-N-Re-S,120.0,"Invalid WP multiplicities - A6B3CD6E6F8_cI240_206_e_d_a_e_e_6c6e:C-Cs-K-N-Re-S, expected Cs3KRe6C6(S8N)6 to be Cs3KRe6C6(S4N3)2" +mp-1118943,Cs3Re2N5,-7.341551047,-0.4157774359,0.0,-0.0569789654,GGA,I4_1,A3B5C2_tI80_80_2a2b_5b_2b:Cs-N-Re,40.0,A3B5C2_tI80_80_2a2b_5b_2b:Cs-N-Re +mp-1247393,CsRe2N3,-8.4072394912,0.0584174283,0.3646713844,0.3646713844,GGA,C2/c,AB3C2_mC48_15_2e_3f_2f:Cs-N-Re,24.0,AB3C2_mC48_15_2e_3f_2f:Cs-N-Re +mp-683929,Cs4Re6C4S9N4,-7.6616980346,-0.7825327357,0.0,-0.0760619767,GGA,P-1,A4B4C4D6E9_aP54_2_4i_4i_4i_6i_9i:C-Cs-N-Re-S,54.0,"Invalid WP multiplicities - A4B4C4D6E9_aP54_2_8i_7i_8i_12i_18i:C-Cs-N-Re-S, expected Cs7Re12C8(S9N4)2 to be Cs4Re6C4S9N4" +mp-1179428,SnN2Cl4O,-4.2940843497,-0.1661597177,0.8546760344000001,0.8546760344000001,GGA,Pna2_1,A4B2CD_oP32_33_4a_2a_a_a:Cl-N-O-Sn,32.0,A4B2CD_oP32_33_4a_2a_a_a:Cl-N-O-Sn +mp-722501,SnH3S4N4Cl5O,-4.9225516589,-0.5742793717,0.1743000925,0.1743000925,GGA,P2_1/c,A5B3C4DE4F_mP72_14_5e_3e_4e_e_4e_e:Cl-H-N-O-S-Sn,72.0,A5B3C4DE4F_mP72_14_5e_3e_4e_e_4e_e:Cl-H-N-O-S-Sn +mp-1201798,HS2N(ClO2)2,-5.453571521,-1.1049766341,0.0902626735,0.0902626735,GGA,P2_1/c,A2BCD4E2_mP40_14_2e_e_e_4e_2e:Cl-H-N-O-S,40.0,A2BCD4E2_mP40_14_2e_e_e_4e_2e:Cl-H-N-O-S +mp-1195064,Sn2H22S6N4O3,-4.9166577787,-0.7095263805,0.0,-0.0469855356,GGA,P4_12_12,A22B4C3D6E2_tP148_92_11b_2b_ab_2a2b_b:H-N-O-S-Sn,148.0,A22B4C3D6E2_tP148_92_11b_2b_ab_2a2b_b:H-N-O-S-Sn +mp-1205100,SnS6N2O21,-6.1173967843,-1.1380059896,0.4038307443,0.4038307443,GGA,P-3,A2B21C6D_hP60_147_2d_7g_2g_c:N-O-S-Sn,60.0,A2B21C6D_hP60_147_2d_7g_2g_c:N-O-S-Sn +mp-1199835,CsFeP2H3CO10,-7.0329946692,-2.0848969283,0.0198759549,0.0198759549,GGA+U,P2_1/c,ABCD3E10F2_mP72_14_e_e_e_3e_10e_2e:C-Cs-Fe-H-O-P,72.0,ABCD3E10F2_mP72_14_e_e_e_3e_10e_2e:C-Cs-Fe-H-O-P +mp-24132,KH18RuN6(ClO2)4,-5.1346246726,-0.7019800364000001,0.3794882735,0.3794882735,GGA,R-3m,A4B18CD6E8F_hR114_166_2c_hi_a_h_ch_b:Cl-H-K-N-O-Ru,38.0,"Invalid WP multiplicities - A4B18CD6E8F_hR114_166_2c_3h3i_a_h_2c2h_b:Cl-H-K-N-O-Ru, expected KH54RuN6(ClO4)4 to be KH18RuN6(ClO2)4" +mp-560966,K2RuNCl5O,-4.9053342582,-1.5032275212,0.0,-0.0058955086,GGA,P2_12_12_1,A5B2CDE_oP40_19_5a_2a_a_a_a:Cl-K-N-O-Ru,40.0,"Invalid WP multiplicities - A5B2CDE_oP40_62_11c6d_d_c_c_c:Cl-K-N-O-Ru, expected K2RuNCl23O to be K2RuNCl5O" +mp-541361,K2RuNCl5O,-4.9052083367,-1.5031015997,0.0001259215,-0.0057695871,GGA,Pnma,A5B2CDE_oP40_62_3cd_d_c_c_c:Cl-K-N-O-Ru,40.0,A5B2CDE_oP40_62_3cd_d_c_c_c:Cl-K-N-O-Ru +mp-1212065,K2HRuCl5,-4.0733615647,-1.3921827004,0.0934290564,0.0934290564,GGA,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-H-K-Ru,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-H-K-Ru +mp-710913,K2RuN3Cl3O5,-5.9790711771,-1.2088041239,0.0599040446,0.0599040446,GGA,P1,A3B2C3D5E_aP28_1_6a_4a_6a_10a_2a:Cl-K-N-O-Ru,28.0,"Invalid WP multiplicities - A3B2C3D5E_aP28_2_6i_3i_6i_10i_i:Cl-K-N-O-Ru, expected K3RuN6(Cl3O5)2 to be K2RuN3Cl3O5" +mp-560322,K2RuN3Cl3O5,-6.0140407211,-1.2437736678,0.0249345007,0.0249345007,GGA,P-1,A3B2C3D5E_aP28_2_3i_2i_3i_5i_i:Cl-K-N-O-Ru,28.0,"Invalid WP multiplicities - A3B2C3D5E_aP28_2_6i_3i_6i_10i_i:Cl-K-N-O-Ru, expected K3RuN6(Cl3O5)2 to be K2RuN3Cl3O5" +mp-1173851,Na2V9MoH35(N2O19)2,-6.4488622181,-1.5577226942,0.0863482676,0.0863482676,GGA+U,P1,A35BC4D2E38F9_aP89_1_35a_a_4a_2a_38a_9a:H-Mo-N-Na-O-V,89.0,A35BC4D2E38F9_aP89_1_35a_a_4a_2a_38a_9a:H-Mo-N-Na-O-V +mp-1246912,VMoN3,-9.447640695,-0.459832504,0.2997224217,0.2997224217,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Mo-N-V,20.0,AB3C_aP20_2_2i_6i_2i:Mo-N-V +mp-1198514,NaV5H18N2O19,-6.4377641574,-1.582848606,0.0670588772,0.0670588772,GGA+U,P-1,A18B2CD19E5_aP90_2_18i_2i_i_19i_5i:H-N-Na-O-V,90.0,A18B2CD19E5_aP90_2_18i_2i_i_19i_5i:H-N-Na-O-V +mp-1198491,Be2NiH20N2(O3F4)2,-5.3148639229,-1.6543911751,0.0,-0.0081850832,GGA+U,P2_1/c,A2B8C20D2EF6_mP78_14_e_4e_10e_e_a_3e:Be-F-H-N-Ni-O,78.0,A2B8C20D2EF6_mP78_14_e_4e_10e_e_a_3e:Be-F-H-N-Ni-O +mp-1215141,Be2Ni(NF7)2,-4.5559563545,-1.5721322595,0.2541283131,0.2541283131,GGA+U,P2_1/c,A2B14C2D_mP38_14_e_7e_e_a:Be-F-N-Ni,38.0,A2B14C2D_mP38_14_e_7e_e_a:Be-F-N-Ni +mp-1214968,Be2NiN2(O3F4)2,-4.7106541818,-0.7683427993,1.0258415894,1.0258415894,GGA+U,P2_1/c,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-N-Ni-O,38.0,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-N-Ni-O +mp-1237097,Be2NiN2(O3F4)2,-5.1827043737,-1.2403929912,0.5537913976000001,0.5537913976000001,GGA+U,P2_1/c,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-N-Ni-O,38.0,A2B8C2DE6_mP38_14_e_4e_e_a_3e:Be-F-N-Ni-O +mp-1212936,MnBP(HO3)2,-7.5353173312,-2.2880178833,0.0057423864,0.0057423864,GGA+U,P3_121,AB2CD6E_hP66_152_c_2c_ab_6c_c:B-H-Mn-O-P,66.0,AB2CD6E_hP66_152_c_2c_ab_6c_c:B-H-Mn-O-P +mp-1200751,MnBP(HO3)2,-7.536718867,-2.2894194191,0.0043408506,0.0043408506,GGA+U,P3_221,AB2CD6E_hP66_154_c_2c_ab_6c_c:B-H-Mn-O-P,66.0,AB2CD6E_hP66_154_c_2c_ab_6c_c:B-H-Mn-O-P +mp-1205341,NaCoSO4F,-6.3543135519,-2.0711227059,0.0,-0.005009698,GGA+U,C2/c,ABCD4E_mC32_15_a_e_e_2f_e:Co-F-Na-O-S,32.0,ABCD4E_mC32_15_c_e_e_2f_e:Co-F-Na-O-S +mp-1193789,NaCoH4SO6F,-5.8549766914,-1.7314189507000002,0.0045898098,0.0045898098,GGA+U,P2_1/m,ABC4DE6F_mP28_11_a_e_2f_e_2e2f_e:Co-F-H-Na-O-S,28.0,ABC4DE6F_mP28_11_a_e_2f_e_2e2f_e:Co-F-H-Na-O-S +mp-559182,P2IrClF6,-5.650171181,-2.3519262152,0.0,-0.0306869554,GGA,P2_1/c,AB6CD2_mP80_14_2e_12e_2e_4e:Cl-F-Ir-P,80.0,"Invalid WP multiplicities - AB6CD2_mP80_14_4e_47e_4e_14e:Cl-F-Ir-P, expected P14Ir4Cl4F47 to be P2IrClF6" +mp-1196516,P7H54Ir2C18ClF6,-5.1825572681,-0.4301642946,0.0780547619,0.0780547619,GGA,P-1,A18BC6D54E2F7_aP176_2_18i_i_6i_54i_2i_7i:C-Cl-F-H-Ir-P,176.0,A18BC6D54E2F7_aP176_2_18i_i_6i_54i_2i_7i:C-Cl-F-H-Ir-P +mp-23811,CaNiBP2H3O10,-7.1010857256,-2.3823746927,0.0063465427,0.0063465427,GGA+U,C2/c,ABC3DE10F2_mC72_15_e_e_cf_d_5f_f:B-Ca-H-Ni-O-P,36.0,"Invalid WP multiplicities - ABC3DE10F2_mC72_15_e_e_af_b_10f_f:B-Ca-H-Ni-O-P, expected CaNiBP2H3O20 to be CaNiBP2H3O10" +mp-1200198,Cd2Cu2P2SO17,-5.7477133717,-1.201840212,0.3563815661,0.3563815661,GGA,Pnma,A2B2C17D2E_oP96_62_d_d_3c7d_d_c:Cd-Cu-O-P-S,96.0,A2B2C17D2E_oP96_62_d_d_3c7d_d_c:Cd-Cu-O-P-S +mp-1201664,CdCu4H14(SO9)2,-5.4883336636,-1.3311239814,0.0252265942,0.0252265942,GGA,P2_1/m,AB4C14D18E2_mP78_11_e_acf_7f_2e8f_f:Cd-Cu-H-O-S,78.0,AB4C14D18E2_mP78_11_e_adf_7f_2e8f_f:Cd-Cu-H-O-S +mp-541773,Na2VCuF7,-5.430284777,-2.7749651316,0.0118001629,0.0118001629,GGA+U,Pnma,AB7C2D_oP44_62_a_3c2d_bc_c:Cu-F-Na-V,44.0,AB7C2D_oP44_62_a_3c2d_bc_c:Cu-F-Na-V +mp-1195387,V4Cu13(O13F2)2,-6.1743041228,-1.3682374557,0.0388632661,0.0388632661,GGA+U,P-1,A13B4C26D4_aP47_2_acd5i_2i_13i_2i:Cu-F-O-V,47.0,A13B4C26D4_aP47_2_acd5i_2i_13i_2i:Cu-F-O-V +mp-1203632,Na2V2CuH4(OF)6,-5.9623937267,-2.1703946957,0.0160009619,0.0160009619,GGA+U,P2_1/c,AB6C4D2E6F2_mP42_14_a_3e_2e_e_3e_e:Cu-F-H-Na-O-V,42.0,AB6C4D2E6F2_mP42_14_a_3e_2e_e_3e_e:Cu-F-H-Na-O-V +mp-504939,V2Cu3H24(OF)12,-5.3274005566,-1.663459625,0.021330317,0.021330317,GGA+U,P-1,A3B12C24D12E2_aP53_2_bcd_6i_12i_6i_ah:Cu-F-H-O-V,53.0,A3B12C24D12E2_aP53_2_bcd_6i_12i_6i_ah:Cu-F-H-O-V +mp-1019785,K2Si(S2O7)3,-6.5233308906000005,-1.9784882885,0.0,-0.006831307,GGA,P2_1/c,A2B21C6D_mP120_14_2e_21e_6e_e:K-O-S-Si,120.0,A2B21C6D_mP120_14_2e_21e_6e_e:K-O-S-Si +mp-555596,K6Si2S6O,-4.743288219,-1.5913937087,0.0,-0.2275860428,GGA,P2_1/c,A6BC6D2_mP30_14_3e_a_3e_e:K-O-S-Si,30.0,"Invalid WP multiplicities - A6BC6D2_mP30_14_9e_a_12e_e:K-O-S-Si, expected K18Si2S24O to be K6Si2S6O" +mp-1227873,Ca10Si3S3(O12F)2,-7.2426248976,-3.1644156239,0.0202587743,0.0202587743,GGA,P-6,A10B2C24D3E3_hP42_174_hijk_ab_2j2k2l_j_k:Ca-F-O-S-Si,42.0,"Invalid WP multiplicities - A10B2C24D3E3_hP42_174_2hijk_ab_2j2k3l_j_k:Ca-F-O-S-Si, expected Ca12Si3S3(O15F)2 to be Ca10Si3S3(O12F)2" +mp-557227,KCa12Si4S2O26F,-7.2746547048,-3.2381948174,0.0008353012,0.0008353012,GGA,R-3m,A12BCD26E2F4_hR138_166_2h_a_b_4c3h_c_2c:Ca-F-K-O-S-Si,46.0,"Invalid WP multiplicities - A12BCD26E2F4_hR138_166_7h_a_b_8c15h_c_3c:Ca-F-K-O-S-Si, expected KCa42Si6S2O106F to be KCa12Si4S2O26F" +mp-720279,Na4H20RuS4(NO9)2,-5.547516799,-1.3704104575,0.1005706666,0.1005706666,GGA,P2_1/c,A20B2C4D18EF4_mP98_14_10e_e_2e_9e_a_2e:H-N-Na-O-Ru-S,98.0,A20B2C4D18EF4_mP98_14_10e_e_2e_9e_a_2e:H-N-Na-O-Ru-S +mp-722271,H14RuS2(N2O3)2,-5.6490907857,-0.9056989757,0.0895343377,0.0895343377,GGA,P2_1/c,A14B4C6DE2_mP54_14_7e_2e_3e_a_e:H-N-O-Ru-S,54.0,"Invalid WP multiplicities - A14B4C6DE2_mP54_14_23e_7e_9e_a_e:H-N-O-Ru-S, expected H46RuS2(N7O9)2 to be H14RuS2(N2O3)2" +mp-850221,H28RuS2(N3O5)2,-5.4507356905,-0.9394699842,0.032297205,0.032297205,GGA,P2_1/c,A28B6C10DE2_mP94_14_14e_3e_5e_a_e:H-N-O-Ru-S,94.0,A28B6C10DE2_mP94_14_14e_3e_5e_a_e:H-N-O-Ru-S +mp-706921,H2RhN2Cl5O,-3.9041629689,0.1878481058,0.9757997664,0.9757997664,GGA,Pnma,A5B2C2DE_oP44_62_3cd_d_d_c_c:Cl-H-N-O-Rh,44.0,A5B2C2DE_oP44_62_3cd_d_d_c_c:Cl-H-N-O-Rh +mp-1203251,H9Rh(NCl)3,-5.0072944987,-0.7289234344000001,0.0,-0.0178346595,GGA,P2_1/m,A3B9C3D_mP32_11_ef_e4f_ef_e:Cl-H-N-Rh,32.0,A3B9C3D_mP32_11_ef_e4f_ef_e:Cl-H-N-Rh +mp-1180014,Rh6C19NO15,-7.8023958969,-0.4349003561,0.5366298503,0.5366298503,GGA,P2_1/c,A19BC15D6_mP164_14_19e_e_15e_6e:C-N-O-Rh,164.0,A19BC15D6_mP164_14_19e_e_15e_6e:C-N-O-Rh +mp-600156,H22RhC3(N3O4)2,-5.8740534441,-0.8919845297000001,0.0266984082,0.0266984082,GGA,Pnnm,A3B22C6D8E_oP160_58_gh_2g10h_2g2h_2g3h_ab:C-H-N-O-Rh,160.0,"Invalid WP multiplicities - A3B22C6D8E_oP160_58_4g4h_8g74h_8g13h_6g18h_ab:C-H-N-O-Rh, expected H156RhC12(N17O21)2 to be H22RhC3(N3O4)2" +mp-721049,H16RhN5(ClO4)2,-5.1337669209,-0.5524862263,0.4991090545,0.4991090545,GGA,P2_12_12_1,A2B16C5D8E_oP128_19_2a_16a_5a_8a_a:Cl-H-N-O-Rh,128.0,A2B16C5D8E_oP128_19_2a_16a_5a_8a_a:Cl-H-N-O-Rh +mp-1196715,H9RhC5NO5,-6.2787135852,-0.7019465272000001,0.2158316067,0.2158316067,GGA,P-1,A5B9CD5E_aP42_2_5i_9i_i_5i_i:C-H-N-O-Rh,42.0,A5B9CD5E_aP42_2_5i_9i_i_5i_i:C-H-N-O-Rh +mp-1191088,RhC4N(Cl2O)2,-5.2828739442,0.5423751248,1.4186373636,1.4186373636,GGA,Pmmn,A4B4CD2E_oP24_59_ef_2ae_b_f_a:C-Cl-N-O-Rh,24.0,A4B4CD2E_oP24_59_ef_2ae_b_f_a:C-Cl-N-O-Rh +mp-555813,H12RhC8NO6,-6.3408016843,-0.6292669863,0.2134618008,0.2134618008,GGA,Pnma,A8B12CD6E_oP112_62_6cd_2c5d_c_6c_c:C-H-N-O-Rh,112.0,"Invalid WP multiplicities - A8B12CD6E_oP112_62_23c6d_8c36d_c_22c_c:C-H-N-O-Rh, expected H80RhC35NO22 to be H12RhC8NO6" +mp-1196799,H24Rh2N8(ClO5)3,-5.1177055791,-0.452475947,0.6091926426000001,0.6091926426000001,GGA,P2_1/c,A3B24C8D15E2_mP208_14_3e_24e_8e_15e_2e:Cl-H-N-O-Rh,208.0,A3B24C8D15E2_mP208_14_3e_24e_8e_15e_2e:Cl-H-N-O-Rh +mp-1198867,H20RhC3N9Cl6O,-5.5283459999,-0.6790662938,0.0176648706,0.0176648706,GGA,P-1,A3B6C20D9EF_aP80_2_3i_6i_20i_9i_i_be:C-Cl-H-N-O-Rh,80.0,A3B6C20D9EF_aP80_2_3i_6i_20i_9i_i_be:C-Cl-H-N-O-Rh +mp-561074,H14RhC6NClO4,-5.8043435069,-0.6115193630000001,0.1513300703,0.1513300703,GGA,P-1,A6BC14DE4F_aP108_2_12i_2i_28i_2i_8i_2i:C-Cl-H-N-O-Rh,108.0,"Invalid WP multiplicities - A6BC14DE4F_aP108_2_23i_2i_56i_3i_14i_4i:C-Cl-H-N-O-Rh, expected H56Rh4C23N3(ClO7)2 to be H14RhC6NClO4" +mp-1194707,H18RhC4N7O8,-5.8892658343,-0.5398707603,0.3724639731,0.3724639731,GGA,P2/c,A4B18C7D8E_mP76_13_2g_9g_e3g_4g_b:C-H-N-O-Rh,76.0,A4B18C7D8E_mP76_13_2g_9g_e3g_4g_b:C-H-N-O-Rh +mp-866658,H16RhN5(Cl2O)3,-4.9930358616,-0.8233040775,0.0735816179,0.0735816179,GGA,R32,A6B16C5D3E_hR93_155_f_2c2f_a2c_d_b:Cl-H-N-O-Rh,31.0,"Invalid WP multiplicities - A6B16C5D3E_hR93_155_f_3c3f_a4c_d_b:Cl-H-N-O-Rh, expected H24RhN9(Cl2O)3 to be H16RhN5(Cl2O)3" +mp-1199826,RhC3(N2Cl)3,-6.3283819988,0.641993684,0.9745035875,0.9745035875,GGA,P2_1/c,A3B3C6D_mP52_14_3e_3e_6e_e:C-Cl-N-Rh,52.0,A3B3C6D_mP52_14_3e_3e_6e_e:C-Cl-N-Rh +mp-1179740,RhC8N4Cl7,-5.678746244,0.6952221625,1.0876508649,1.0876508649,GGA,P2_12_12,A8B7C4D_oP40_18_4c_a3c_2c_b:C-Cl-N-Rh,40.0,A8B7C4D_oP40_18_4c_a3c_2c_b:C-Cl-N-Rh +mp-1201578,RbUSeO8,-6.8851066875,-1.8540734829,0.2369777368,0.2369777368,GGA,P2_1/c,A8BCD_mP44_14_8e_e_e_e:O-Rb-Se-U,44.0,A8BCD_mP44_14_8e_e_e_e:O-Rb-Se-U +mp-1199982,Rb2U(SeO6)2,-6.3143178628,-1.6316963542,0.2242208632,0.2242208632,GGA,Pna2_1,A12B2C2D_oP68_33_12a_2a_2a_a:O-Rb-Se-U,68.0,A12B2C2D_oP68_33_12a_2a_2a_a:O-Rb-Se-U +mp-1179858,Rb2UH4(SeO6)2,-6.313991217,-1.8770640825,0.0,-0.001078255,GGA,Pna2_1,A4B12C2D2E_oP84_33_4a_12a_2a_2a_a:H-O-Rb-Se-U,84.0,A4B12C2D2E_oP84_33_4a_12a_2a_2a_a:H-O-Rb-Se-U +mp-1196487,RbUH2SeO7F,-6.7821468219,-2.2366385453,0.0,-0.0135385724,GGA,Pnma,AB2C7DEF_oP104_62_d_2d_2c6d_2c_d_d:F-H-O-Rb-Se-U,104.0,AB2C7DEF_oP104_62_d_2d_2c6d_2c_d_d:F-H-O-Rb-Se-U +mp-1210345,Rb2UH2(SeO5)2,-6.0974064499,-1.5976040785,0.4333972018,0.4333972018,GGA,Pna2_1,A2B10C2D2E_oP68_33_2a_10a_2a_2a_a:H-O-Rb-Se-U,68.0,A2B10C2D2E_oP68_33_2a_10a_2a_2a_a:H-O-Rb-Se-U +mp-1197695,RbU(SeO4)2,-7.0194716444,-2.1163652504,0.0646346506,0.0646346506,GGA,P2_1/c,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-Se-U,48.0,A8BC2D_mP48_14_8e_e_2e_e:O-Rb-Se-U +mp-1197963,K3SmGa3B12S12I,-5.6523209433,-1.0148979106,0.0,-0.1316274319,GGA,P6_322,A12B3CD3E12F_hP64_182_2i_g_b_g_2i_c:B-Ga-I-K-S-Sm,64.0,A12B3CD3E12F_hP64_182_2i_g_b_g_2i_c:B-Ga-I-K-S-Sm +mp-1211509,KSm2I5,-3.6837935872,-1.4444932163,0.1270144316,0.1270144316,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:I-K-Sm,32.0,A5BC2_mP32_14_5e_e_2e:I-K-Sm +mp-723020,Al2Si2H5C2NO10,-6.9063633055,-1.8351755342,0.3662411988,0.3662411988,GGA,Cc,A2B2C5DE10F2_mC88_9_2a_2a_5a_a_10a_2a:Al-C-H-N-O-Si,44.0,A2B2C5DE10F2_mC88_9_2a_2a_5a_a_10a_2a:Al-C-H-N-O-Si +mp-1223325,Li2Ni2H24C6(N4O5)3,-6.2259076238,-0.8748616091,0.160580852,0.160580852,GGA+U,P1,A6B24C2D12E2F15_aP61_1_6a_24a_2a_12a_2a_15a:C-H-Li-N-Ni-O,61.0,A6B24C2D12E2F15_aP61_1_6a_24a_2a_12a_2a_15a:C-H-Li-N-Ni-O +mp-771916,Li2NiH8(CO5)2,-6.1138311343,-1.563222053,0.0521919572,0.0521919572,GGA+U,P2_1/c,A2B8C2DE10_mP46_14_e_4e_e_a_5e:C-H-Li-Ni-O,46.0,"Invalid WP multiplicities - A2B8C2DE10_mP46_14_e_15e_e_a_17e:C-H-Li-Ni-O, expected Li2NiH30(CO17)2 to be Li2NiH8(CO5)2" +mp-603254,PH9AuC3S3Cl,-4.8239578746,-0.3147577829,0.0544975058,0.0544975058,GGA,Pbca,AB3CD9EF3_oP144_61_c_3c_c_9c_c_3c:Au-C-Cl-H-P-S,144.0,"Invalid WP multiplicities - AB3CD9EF3_oP144_61_c_22c_c_64c_c_16c:Au-C-Cl-H-P-S, expected PH64AuC22S16Cl to be PH9AuC3S3Cl" +mp-28192,AuSCl5,-3.0687692979,-0.6897671312,0.0,-0.0131340193,GGA,P2_1/c,AB5C_mP28_14_e_5e_e:Au-Cl-S,28.0,AB5C_mP28_14_e_5e_e:Au-Cl-S +mp-556112,AuCS2Cl3,-4.2675749743,-0.5074239448,0.0285294793,0.0285294793,GGA,C2/c,ABC3D2_mC56_15_f_f_3f_2f:Au-C-Cl-S,28.0,"Invalid WP multiplicities - ABC3D2_mC56_15_f_f_11f_4f:Au-C-Cl-S, expected AuCS4Cl11 to be AuCS2Cl3" +mp-652180,AuC5(SCl)4,-4.8469625379,0.3928342886,0.7804054915,0.7804054915,GGA,C2/m,AB5C4D4_mC56_12_i_i2j_2ij_2j:Au-C-Cl-S,28.0,"Invalid WP multiplicities - AB5C4D4_mC56_12_i_2i6j_4i3j_4j:Au-C-Cl-S, expected AuC14(S4Cl5)2 to be AuC5(SCl)4" +mp-559616,PH3CS3,-5.0099165884,-0.3562296216,0.020610951,0.020610951,GGA,P2_1/c,AB3CD3_mP32_14_e_3e_e_3e:C-H-P-S,32.0,"Invalid WP multiplicities - AB3CD3_mP32_14_e_8e_e_8e:C-H-P-S, expected PH8CS8 to be PH3CS3" +mp-556587,AuSCl7,-2.9801256536,-0.7190047106,0.0,-0.0443782565,GGA,P2_1/c,AB7C_mP36_14_e_7e_e:Au-Cl-S,36.0,"Invalid WP multiplicities - AB7C_mP36_14_e_27e_e:Au-Cl-S, expected AuSCl27 to be AuSCl7" +mp-558335,Na2Pd(NO2)4,-6.4122356862,-1.0292742337,0.0619555149,0.0619555149,GGA,Pna2_1,A4B2C8D_oP60_33_4a_2a_8a_a:N-Na-O-Pd,60.0,"Invalid WP multiplicities - A4B2C8D_oP60_33_13a_4a_28a_a:N-Na-O-Pd, expected Na4PdN13O28 to be Na2Pd(NO2)4" +mp-560120,Na2Pd(NO3)4,-6.3854456368,-1.0943310773,0.0,-0.0156171266,GGA,P2_1/c,A4B2C12D_mP38_14_2e_e_6e_a:N-Na-O-Pd,38.0,"Invalid WP multiplicities - A4B2C12D_mP38_14_6e_e_23e_a:N-Na-O-Pd, expected Na2Pd(N6O23)2 to be Na2Pd(NO3)4" +mp-1245500,NaPdN,-4.7749850983,0.1713155778,0.343035385,0.343035385,GGA,Pnma,ABC_oP12_62_c_c_c:N-Na-Pd,12.0,ABC_oP12_62_c_c_c:N-Na-Pd +mp-1246599,NaPdN,-4.7082678683,0.2380328078,0.409752615,0.409752615,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Pd,6.0,ABC_hP6_186_b_b_a:N-Na-Pd +mp-1245506,NaPdN,-4.77269442,0.1736062561,0.3453260633,0.3453260633,GGA,P-6m2,ABC_hP3_187_a_c_b:N-Na-Pd,3.0,ABC_hP3_187_a_c_b:N-Na-Pd +mp-1211023,Na2PdW6S2(NO3)2,-7.1477824158,0.2311510383,1.6700686186,1.6700686186,GGA+U,P-1,A2B2C6DE2F6_aP19_2_i_i_3i_a_i_3i:N-Na-O-Pd-S-W,19.0,A2B2C6DE2F6_aP19_2_i_i_3i_a_i_3i:N-Na-O-Pd-S-W +mp-1211815,KGa(PH)2,-3.7230042012,-0.0979121891,0.2307429273,0.2307429273,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_d:Ga-H-K-P,24.0,AB2CD2_oP24_62_c_2c_c_d:Ga-H-K-P +mp-1237028,KGa(PH)2,-3.8274858217,-0.2023938095,0.1262613068,0.1262613068,GGA,Pnma,AB2CD2_oP24_62_c_2c_c_d:Ga-H-K-P,24.0,AB2CD2_oP24_62_c_2c_c_d:Ga-H-K-P +mp-1197280,KGa2NiP3(H2O7)2,-6.6918388768,-2.2113916236,0.0,-0.0054612232,GGA+U,C2/c,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-K-Ni-O-P,50.0,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-K-Ni-O-P +mp-1212709,GaNi10P3,-5.9655461417,-0.4605911172,0.0,-0.0224855793,GGA,P-3m1,AB10C3_hP42_164_ad_c2dh3i_ei:Ga-Ni-P,42.0,AB10C3_hP42_164_ad_c2dh3i_ei:Ga-Ni-P +mp-2712598,Na2Y3TaP4(SO12)2,-8.0136174356,-2.9428152027000003,0.0347052218,0.0347052218,GGA,P1,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-P-S-Ta-Y,108.0,A2B24C4D2EF3_aP108_1_6a_72a_12a_6a_3a_9a:Na-O-P-S-Ta-Y +mp-2712973,Y3TaP2(SO6)4,-7.9795795392,-2.7633994063,0.0297334091,0.0297334091,GGA,P1,A24B2C4DE3_aP102_1_72a_6a_12a_3a_9a:O-P-S-Ta-Y,102.0,A24B2C4DE3_aP102_1_72a_6a_12a_3a_9a:O-P-S-Ta-Y +mp-2715940,Na3Y3TaP5SO24,-8.0193988786,-3.015391897,0.0440069555,0.0440069555,GGA,P1,A3B24C5DEF3_aP111_1_9a_72a_15a_3a_3a_9a:Na-O-P-S-Ta-Y,111.0,A3B24C5DEF3_aP111_1_9a_72a_15a_3a_3a_9a:Na-O-P-S-Ta-Y +mp-2716228,NaY2Ta2P5SO24,-8.3680749871,-2.9996602943,0.0254182715,0.0254182715,GGA,P1,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Ta-Y,105.0,AB24C5DE2F2_aP105_1_3a_72a_15a_3a_6a_6a:Na-O-P-S-Ta-Y +mp-2713186,YTaP2SO12,-8.3425428458,-2.8926858953,0.0410623598,0.0410623598,GGA,Cc,A12B2CDE_mC68_9_12a_2a_a_a_a:O-P-S-Ta-Y,102.0,"Invalid WP multiplicities - A12B2CDE_mC68_9_60a_7a_a_a_a:O-P-S-Ta-Y, expected YTaP7SO60 to be YTaP2SO12" +mp-2716572,NaY3TaP3(SO8)3,-7.9965239696,-2.8551096138,0.033024442,0.033024442,GGA,P1,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-P-S-Ta-Y,105.0,AB24C3D3EF3_aP105_1_3a_72a_9a_9a_3a_9a:Na-O-P-S-Ta-Y +mp-1193461,CdC4S2(NO)4,-6.9253757517,-0.3091633511,0.5458684028,0.5458684028,GGA,P2_12_12,A4BC4D4E2_oP30_18_2c_a_2c_2c_c:C-Cd-N-O-S,30.0,A4BC4D4E2_oP30_18_2c_a_2c_2c_c:C-Cd-N-O-S +mp-733551,Cd2S3(NO6)2,-5.6510847643,-0.8990645798,0.6685057318000001,0.6685057318000001,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Cd-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Cd-N-O-S +mp-1214110,CdC4S4(N5O3)2,-5.8898934008,0.8072439078,1.5675628728,1.5675628728,GGA,P2_1/c,A4BC10D6E4_mP100_14_4e_e_10e_6e_4e:C-Cd-N-O-S,100.0,A4BC10D6E4_mP100_14_4e_e_10e_6e_4e:C-Cd-N-O-S +mp-1214165,CdC2S2(NO)6,-6.3801465221,-0.0653099164,0.9574226657,0.9574226657,GGA,P2_1/c,A2BC6D6E2_mP34_14_e_a_3e_3e_e:C-Cd-N-O-S,34.0,A2BC6D6E2_mP34_14_e_a_3e_3e_e:C-Cd-N-O-S +mp-1106319,CdCSBr2N3O,-5.3319143872,-0.0707771355,0.704190336,0.704190336,GGA,Cc,A2BCD3EF_mC36_9_2a_a_a_3a_a_a:Br-C-Cd-N-O-S,18.0,A2BCD3EF_mC36_9_2a_a_a_3a_a_a:Br-C-Cd-N-O-S +mp-1201297,CdS2(NO7)2,-5.5061718974,-0.499728671,0.6730804538,0.6730804538,GGA,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Cd-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Cd-N-O-S +mp-998601,KCaCl3,-4.29763213,-2.5653103686,0.0456661785,0.020082094,GGA,Cm,AB3C_mC10_8_a_ab_a:Ca-Cl-K,5.0,"Invalid WP multiplicities - AB3C_mC10_8_a_a2b_a:Ca-Cl-K, expected KCaCl5 to be KCaCl3" +mp-1211643,KCaCl3,-4.3432983085,-2.6109765471,0.0,-0.0255840845,GGA,Pnma,AB3C_oP20_62_a_cd_c:Ca-Cl-K,20.0,AB3C_oP20_62_a_cd_c:Ca-Cl-K +mp-998421,KCaCl3,-4.339138677,-2.6068169156,0.0041596315,-0.021424453,GGA,R-3,AB3C_hR30_148_c_f_c:Ca-Cl-K,10.0,AB3C_hR30_148_c_f_c:Ca-Cl-K +mp-1211589,KCaCl3,-4.297565154,-2.5652433926,0.0457331545,0.02014907,GGA,Pm-3m,AB3C_cP5_221_b_c_a:Ca-Cl-K,5.0,AB3C_cP5_221_b_c_a:Ca-Cl-K +mp-555023,KCa4(BO3)3,-7.493010385,-3.1582355508,0.0,-0.0176023812,GGA,Ama2,A3B4CD9_oC68_40_a2b_abc_b_a2b3c:B-Ca-K-O,34.0,"Invalid WP multiplicities - A3B4CD9_oC68_40_a4b_2a2b3c_b_2a4b10c:B-Ca-K-O, expected KCa10B5O26 to be KCa4(BO3)3" +mp-722344,KCa4B22H18ClO46,-7.3314688337,-2.4777220553,0.0,-0.0002590825,GGA,P1,A22B4CD18EF46_aP92_1_22a_4a_a_18a_a_46a:B-Ca-Cl-H-K-O,92.0,A22B4CD18EF46_aP92_1_22a_4a_a_18a_a_46a:B-Ca-Cl-H-K-O +mp-720999,CaMgUH24C3O23,-6.1957603939,-1.7092971513,0.0199065563,0.0199065563,GGA,P2_1/m,A3BC24DE23F_mP106_11_ef_e_4e10f_a_5e9f_e:C-Ca-H-Mg-O-U,106.0,A3BC24DE23F_mP106_11_ef_e_4e10f_a_5e9f_e:C-Ca-H-Mg-O-U +mp-1182827,CaU3(CO10)2,-7.6980045418,-1.8029685757,0.5859733677,0.5859733677,GGA,P2_1/c,A2BC20D3_mP104_14_2e_e_20e_3e:C-Ca-O-U,104.0,A2BC20D3_mP104_14_2e_e_20e_3e:C-Ca-O-U +mp-779682,NaScP2(HO4)2,-7.3066451036,-2.675176447,0.0077367839,0.0077367839,GGA,Cc,A2BC8D2E_mC112_9_4a_2a_16a_4a_2a:H-Na-O-P-Sc,56.0,"Invalid WP multiplicities - A2BC8D2E_mC112_9_8a_4a_32a_7a_2a:H-Na-O-P-Sc, expected Na4Sc2P7(HO4)8 to be NaScP2(HO4)2" +mp-767518,Na2ScPCO7,-7.5965636817,-2.7427046258,0.0,-0.0176295648,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Sc,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Sc, expected Na2ScPCO13 to be Na2ScPCO7" +mp-1201367,Na5Sc(C2O7)2,-6.900047301,-1.9369889886,0.1158682164,0.1158682164,GGA,P-42_1c,A4B5C14D_tP48_114_e_ae_d3e_b:C-Na-O-Sc,48.0,A4B5C14D_tP48_114_e_ae_d3e_b:C-Na-O-Sc +mp-709352,Na2Sc2P4H12C4O13,-6.4905190858,-1.6554507999,0.1647447453,0.1647447453,GGA,P4_2/n,A4B12C2D13E4F2_tP148_86_2g_6g_g_e6g_2g_g:C-H-Na-O-P-Sc,148.0,A4B12C2D13E4F2_tP148_86_2g_6g_g_e6g_2g_g:C-H-Na-O-P-Sc +mp-24144,Na5ScH4(C2O7)2,-6.8179944823,-2.0792693509,0.0,-0.0169015579,GGA,P-42_1c,A4B4C5D14E_tP56_114_e_e_ae_d3e_b:C-H-Na-O-Sc,56.0,"Invalid WP multiplicities - A4B4C5D14E_tP56_114_e_e_ae_d8e_b:C-H-Na-O-Sc, expected Na5ScH4(C2O17)2 to be Na5ScH4(C2O7)2" +mp-1200576,NaSc3P8(H7O12)2,-6.7669065742,-2.170005647,0.0212081122,0.0212081122,GGA,P-1,A14BC24D8E3_aP50_2_7i_b_12i_4i_ci:H-Na-O-P-Sc,50.0,A14BC24D8E3_aP50_2_7i_b_12i_4i_ci:H-Na-O-P-Sc +mp-849424,LiCu2P3(HO5)2,-6.6113240394,-2.0224583212,0.0753418389,0.0753418389,GGA,P-1,A2B2CD10E3_aP36_2_2i_2i_i_10i_3i:Cu-H-Li-O-P,36.0,"Invalid WP multiplicities - A2B2CD10E3_aP36_2_3i_3i_i_19i_5i:Cu-H-Li-O-P, expected LiCu3P5H3O19 to be LiCu2P3(HO5)2" +mp-849277,Li2CuP3(HO5)2,-6.6724647425,-2.2052814577,0.0848262223,0.0848262223,GGA,P-1,AB2C2D10E3_aP36_2_i_2i_2i_10i_3i:Cu-H-Li-O-P,36.0,"Invalid WP multiplicities - AB2C2D10E3_aP36_2_i_3i_3i_19i_5i:Cu-H-Li-O-P, expected Li3CuP5H3O19 to be Li2CuP3(HO5)2" +mp-1200514,CuB2P2(HO2)6,-6.7070373749000005,-2.0113323301,0.016299452,0.016299452,GGA,Pbca,A2BC6D12E2_oP92_61_c_a_3c_6c_c:B-Cu-H-O-P,92.0,A2BC6D12E2_oP92_61_c_a_3c_6c_c:B-Cu-H-O-P +mp-781859,LiCu2P3H8O13,-6.0990117861,-1.7361967738,0.1019092973,0.1019092973,GGA,P-1,A2B8CD13E3_aP54_2_2i_8i_i_13i_3i:Cu-H-Li-O-P,54.0,"Invalid WP multiplicities - A2B8CD13E3_aP54_2_3i_15i_i_25i_5i:Cu-H-Li-O-P, expected LiCu3P5(H3O5)5 to be LiCu2P3H8O13" +mp-1202117,LiCu2BP2(HO5)2,-6.7487619225,-2.0895579118,0.0222578979,0.0222578979,GGA,C2/c,AB2C2DE10F2_mC72_15_e_f_f_c_5f_f:B-Cu-H-Li-O-P,36.0,AB2C2DE10F2_mC72_15_e_f_f_a_5f_f:B-Cu-H-Li-O-P +mp-1199484,LiCu2BP2(HO5)2,-6.7641997517,-2.1049957409,0.0068200688,0.0068200688,GGA,P2_12_12_1,AB2C2DE10F2_oP72_19_a_2a_2a_a_10a_2a:B-Cu-H-Li-O-P,72.0,AB2C2DE10F2_oP72_19_a_2a_2a_a_10a_2a:B-Cu-H-Li-O-P +mp-769159,LiCuPH2O5,-6.168237293,-1.874204524,0.0759615227,0.0759615227,GGA,P2_1/c,AB2CD5E_mP40_14_e_2e_e_5e_e:Cu-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_mP40_14_e_7e_e_9e_e:Cu-H-Li-O-P, expected LiCuPH7O9 to be LiCuPH2O5" +mp-773601,Li2CuP3H8O13,-6.1666256989,-1.8849323089,0.08167625,0.08167625,GGA,P-1,AB8C2D13E3_aP54_2_i_8i_2i_13i_3i:Cu-H-Li-O-P,54.0,"Invalid WP multiplicities - AB8C2D13E3_aP54_2_i_15i_3i_25i_5i:Cu-H-Li-O-P, expected Li3CuP5(H3O5)5 to be Li2CuP3H8O13" +mp-1176428,Na2CePCO7,-7.5407422046,-2.7201648113,0.0257158697,0.0257158697,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Ce-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Ce-Na-O-P, expected Na2CePCO13 to be Na2CePCO7" +mp-1204151,Na2CeH2C5O11,-7.4893094331,-1.969285856,0.0340136225,0.0340136225,GGA,P2_1/c,A5BC2D2E11_mP84_14_5e_e_2e_2e_11e:C-Ce-H-Na-O,84.0,A5BC2D2E11_mP84_14_5e_e_2e_2e_11e:C-Ce-H-Na-O +mp-767538,NaCePCO7,-7.8740214732,-2.7354393435,0.0293618328,0.0293618328,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Ce-Na-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Ce-Na-O-P, expected NaCePCO13 to be NaCePCO7" +mp-1196604,NaCeP2H2CO7,-7.0714667943,-2.1626697926,0.2886771196,0.2886771196,GGA,P2_1/c,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Ce-H-Na-O-P,56.0,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Ce-H-Na-O-P +mp-603946,AgMo4H22C8(NO5)3,-6.3771708011,-0.8319959178,0.2474105393,0.2474105393,GGA+U,P-1,AB8C22D4E3F15_aP106_2_i_8i_22i_4i_3i_15i:Ag-C-H-Mo-N-O,106.0,"Invalid WP multiplicities - AB8C22D4E3F15_aP106_2_i_16i_43i_7i_3i_29i:Ag-C-H-Mo-N-O, expected AgMo7H43C16N3O29 to be AgMo4H22C8(NO5)3" +mp-621092,Tl2Pt(CN)4,-7.32790648,0.040917273,0.0673608524,0.0673608524,GGA,P2_1/c,A4B4CD2_mP22_14_2e_2e_a_e:C-N-Pt-Tl,22.0,"Invalid WP multiplicities - A4B4CD2_mP22_14_6e_7e_a_e:C-N-Pt-Tl, expected Tl2Pt(C6N7)2 to be Tl2Pt(CN)4" +mp-601902,Tl2HPtC5N5O,-7.1707451623,-0.0399693985,0.2519277486,0.2519277486,GGA,P2_1/c,A5BC5DEF2_mP60_14_5e_e_5e_e_e_2e:C-H-N-O-Pt-Tl,60.0,"Invalid WP multiplicities - A5BC5DEF2_mP60_14_17e_e_16e_e_e_3e:C-H-N-O-Pt-Tl, expected Tl3HPtC17N16O to be Tl2HPtC5N5O" +mp-13801,Tl2Pt2O7,-5.8329176659,-1.1516109466,0.0,-0.1435773764,GGA,Fd-3m,A7B2C2_cF88_227_af_d_c:O-Pt-Tl,22.0,"Invalid WP multiplicities - A7B2C2_cF88_227_a2f_d_c:O-Pt-Tl, expected Tl2Pt2O13 to be Tl2Pt2O7" +mp-1208033,TlPt3O4,-5.9289024838,-0.8835527398,0.0,-0.0013113339,GGA,Fm-3m,A4B3C_cF64_225_f_d_ab:O-Pt-Tl,16.0,A4B3C_cF64_225_f_d_ab:O-Pt-Tl +mp-24376,CrCoH18(CN2)6,-6.3759506339,-0.2380462621,0.111175955,0.111175955,GGA,R-3,A6BCD18E12_hR114_148_f_a_b_3f_2f:C-Co-Cr-H-N,38.0,A6BCD18E12_hR114_148_f_a_b_3f_2f:C-Co-Cr-H-N +mp-744721,CrCo3H24C6(N10O11)3,-6.2567198197,-0.2658848289,0.7445359023,0.7445359023,GGA+U,R-3,A6B3CD24E30F33_hR582_148_2f_f_ab_8f_10f_11f:C-Co-Cr-H-N-O,194.0,A6B3CD24E30F33_hR582_148_2f_f_ab_8f_10f_11f:C-Co-Cr-H-N-O +mp-648394,CrCo3C16NO14,-7.9784932504,-0.6577279471,0.4944931609,0.4944931609,GGA+U,P2_1/m,A16B3CDE14_mP70_11_6e5f_ef_e_e_4e5f:C-Co-Cr-N-O,70.0,"Invalid WP multiplicities - A16B3CDE14_mP70_11_11e16f_2e2f_e_e_8e16f:C-Co-Cr-N-O, expected CrCo6C43NO40 to be CrCo3C16NO14" +mp-24129,MnH4(BrO)2,-5.2995366633,-1.3292751573,0.0,-0.0443032644,GGA+U,C2/m,A2B4CD2_mC18_12_i_j_a_g:Br-H-Mn-O,9.0,A2B4CD2_mC18_12_i_j_a_g:Br-H-Mn-O +mp-1180463,MnC8(Br2N)2,-5.6393688102,1.4190606833,1.7113175064,1.7113175064,GGA,P2_1/c,A4B8CD2_mP60_14_4e_8e_e_2e:Br-C-Mn-N,60.0,A4B8CD2_mP60_14_4e_8e_e_2e:Br-C-Mn-N +mp-739866,MnC8(Br2N)2,-5.5621609152,1.4962685783,1.7885254014,1.7885254014,GGA,Pnma,A4B8CD2_oP60_62_2cd_4c2d_c_2c:Br-C-Mn-N,60.0,A4B8CD2_oP60_62_2cd_4c2d_c_2c:Br-C-Mn-N +mp-540545,MnH8(BrO2)2,-5.2434129107,-1.2969705669,0.0134161357,0.0134161357,GGA+U,P2_1/c,A2B8CD4_mP60_14_2e_8e_e_4e:Br-H-Mn-O,60.0,A2B8CD4_mP60_14_2e_8e_e_4e:Br-H-Mn-O +mp-24824,MnH16C4(Br2N)2,-5.0518520348,-0.4872076958,0.0585232217,0.0585232217,GGA,P2_1/c,A4B4C16DE2_mP108_14_4e_4e_16e_e_2e:Br-C-H-Mn-N,108.0,"Invalid WP multiplicities - A4B4C16DE2_mP108_14_4e_4e_20e_e_2e:Br-C-H-Mn-N, expected MnH20C4(Br2N)2 to be MnH16C4(Br2N)2" +mp-1180139,MnC4Br3N,-5.56617586,0.9974082708,1.4451187105,1.4451187105,GGA,P2_1,A3B4CD_mP18_4_3a_4a_a_a:Br-C-Mn-N,18.0,"Invalid WP multiplicities - A3B4CD_mP18_4_6a_7a_a_a:Br-C-Mn-N, expected MnC7Br6N to be MnC4Br3N" +mp-1180510,MnC4Br3N,-6.1335661228,0.430018008,0.8777284477,0.8777284477,GGA,P2_1,A3B4CD_mP18_4_3a_4a_a_a:Br-C-Mn-N,18.0,"Invalid WP multiplicities - A3B4CD_mP18_4_6a_7a_a_a:Br-C-Mn-N, expected MnC7Br6N to be MnC4Br3N" +mp-1188776,MnC4Br3N,-5.6573721128,0.906212018,1.3539224577,1.3539224577,GGA,P6_3,A3B4CD_hP18_173_c_bc_a_b:Br-C-Mn-N,18.0,A3B4CD_hP18_173_c_bc_a_b:Br-C-Mn-N +mp-1197899,MnH28C12Br2(N4O)2,-5.8049608035,-0.2465886536,0.2531107157,0.2531107157,GGA+U,Pna2_1,A2B12C28DE8F2_oP212_33_2a_12a_28a_a_8a_2a:Br-C-H-Mn-N-O,212.0,A2B12C28DE8F2_oP212_33_2a_12a_28a_a_8a_2a:Br-C-H-Mn-N-O +mp-765139,VCrP2(O4F)2,-7.8111218671,-2.5996914258,0.0414655067,0.0414655067,GGA+U,P-1,AB2C8D2E_aP14_2_b_i_4i_i_e:Cr-F-O-P-V,28.0,AB2C8D2E_aP14_2_b_i_4i_i_e:Cr-F-O-P-V +mp-801251,VCrP2(O4F)2,-4.4482000821,0.7632303592,3.4043872917,3.4043872917,GGA+U,P-1,AB2C8D2E_aP14_2_b_i_4i_i_e:Cr-F-O-P-V,14.0,"Invalid WP multiplicities - AB2C8D2E_aP14_2_b_i_7i_i_e:Cr-F-O-P-V, expected VCrP2(O7F)2 to be VCrP2(O4F)2" +mp-1391114,VCrP2(O4F)2,-5.57918875,-0.3677583087,2.2733986239,2.2733986239,GGA+U,P-1,AB2C8D2E_aP14_2_a_i_4i_i_b:Cr-F-O-P-V,14.0,"Invalid WP multiplicities - AB2C8D2E_aP14_2_a_i_7i_i_b:Cr-F-O-P-V, expected VCrP2(O7F)2 to be VCrP2(O4F)2" +mp-2226708,MgVCrP2(O4F)2,-7.806919134,-2.8362320521,0.0493655167,0.0493655167,GGA+U,P1,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Mg-O-P-V,15.0,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Mg-O-P-V +mp-2226915,MgVCrP2(O4F)2,-7.812749416,-2.8420623341,0.0435352347,0.0435352347,GGA+U,P-1,AB2CD8E2F_aP15_2_c_i_a_4i_i_f:Cr-F-Mg-O-P-V,15.0,"Invalid WP multiplicities - AB2CD8E2F_aP15_2_c_i_a_7i_i_f:Cr-F-Mg-O-P-V, expected MgVCrP2(O7F)2 to be MgVCrP2(O4F)2" +mp-757387,NaNi3P4H8NO16,-6.5955691768,-1.9003731761,0.0,-0.0096946986,GGA+U,C2/c,A8BCD3E16F4_mC132_15_4f_e_e_cf_8f_2f:H-N-Na-Ni-O-P,66.0,"Invalid WP multiplicities - A8BCD3E16F4_mC132_15_15f_e_e_2a3f_29f_7f:H-N-Na-Ni-O-P, expected NaNi8P14H30NO58 to be NaNi3P4H8NO16" +mp-1211379,NiP6H4(N2O9)2,-6.3509115223,-1.0716014495,0.8856736296000001,0.8856736296000001,GGA+U,P2_1/c,A4B4CD18E6_mP66_14_2e_2e_a_9e_3e:H-N-Ni-O-P,66.0,A4B4CD18E6_mP66_14_2e_2e_a_9e_3e:H-N-Ni-O-P +mp-505449,NiPH16NO10,-5.6207513324,-1.3697017481,0.0,-0.0015924042,GGA+U,Pmn2_1,A16BCD10E_oP58_31_4a6b_a_a_4a3b_a:H-N-Ni-O-P,58.0,A16BCD10E_oP58_31_4a6b_a_a_4a3b_a:H-N-Ni-O-P +mp-1203628,Ni3P4H48(NO15)2,-5.5514556308,-1.3340059594,0.0489015781,0.0489015781,GGA+U,C2/m,A48B2C3D30E4_mC174_12_6i9j_i_ai_5i5j_2i:H-N-Ni-O-P,87.0,A48B2C3D30E4_mC174_12_6i9j_i_ai_5i5j_2i:H-N-Ni-O-P +mp-555959,NiP3H12NO7,-5.5495833791,-1.1455803522,0.1194356757,0.1194356757,GGA+U,P2_1/c,A12BCD7E3_mP96_14_12e_e_e_7e_3e:H-N-Ni-O-P,96.0,"Invalid WP multiplicities - A12BCD7E3_mP96_14_47e_e_e_25e_8e:H-N-Ni-O-P, expected NiP8H47NO25 to be NiP3H12NO7" +mp-735535,NiPH6NO5,-6.0760067575,-1.4603114762,0.0,-0.0016188496,GGA+U,Pmn2_1,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-N-Ni-O-P,28.0,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-N-Ni-O-P +mp-758839,NiP4H16(NO8)2,-6.2149391746,-1.6627091065,0.0,-0.0018516707,GGA+U,P-1,A16B2CD16E4_aP39_2_8i_i_a_8i_2i:H-N-Ni-O-P,39.0,"Invalid WP multiplicities - A16B2CD16E4_aP39_2_15i_i_a_15i_3i:H-N-Ni-O-P, expected NiP6H30(NO15)2 to be NiP4H16(NO8)2" +mp-559978,CuAs2S8N8(OF7)4,-5.1251051625,-1.4680626576,0.24120493,0.24120493,GGA,I4_1/a,A2BC28D8E4F8_tI204_88_e_a_2e6f_2f_f_2f:As-Cu-F-N-O-S,102.0,"Invalid WP multiplicities - A2BC28D8E4F8_tI204_88_e_a_8e43f_11f_f_8f:As-Cu-F-N-O-S, expected CuAs2S32N44(OF47)4 to be CuAs2S8N8(OF7)4" +mp-556926,CuAs2S4(O2F3)4,-5.4122204031,-1.9872389125,0.0311099332,0.0311099332,GGA,P2_1/c,A2BC12D8E4_mP54_14_e_a_6e_4e_2e:As-Cu-F-O-S,54.0,"Invalid WP multiplicities - A2BC12D8E4_mP54_14_e_a_20e_12e_5e:As-Cu-F-O-S, expected CuAs2S10(O3F5)8 to be CuAs2S4(O2F3)4" +mp-1204632,CdH8C4(BrN4)2,-6.255286783,-0.3954008635,0.0526365447,0.0526365447,GGA,P2_1/c,A2B4CD8E8_mP46_14_e_2e_a_4e_4e:Br-C-Cd-H-N,46.0,A2B4CD8E8_mP46_14_e_2e_a_4e_4e:Br-C-Cd-H-N +mp-567467,CdH12C4Br3N,-4.7792814929,-0.4199555793,0.0888659652,0.0888659652,GGA,P6_1,A3B4CD12E_hP126_169_3a_4a_a_12a_a:Br-C-Cd-H-N,126.0,"Invalid WP multiplicities - A3B4CD12E_hP126_169_13a_19a_a_66a_a:Br-C-Cd-H-N, expected CdH66C19Br13N to be CdH12C4Br3N" +mp-600182,CdH8C2Br3N,-4.5298115978,-0.5619709965,0.0655861993,0.0655861993,GGA,P2_1/c,A3B2CD8E_mP60_14_3e_2e_e_8e_e:Br-C-Cd-H-N,60.0,"Invalid WP multiplicities - A3B2CD8E_mP60_14_9e_4e_e_30e_e:Br-C-Cd-H-N, expected CdH30C4Br9N to be CdH8C2Br3N" +mp-1213951,CdH4C4(S2N3)2,-6.3982584476,-0.1891413462,0.1697510886,0.1697510886,GGA,C2/c,A4BC4D6E4_mC76_15_2f_e_2f_3f_2f:C-Cd-H-N-S,38.0,A4BC4D6E4_mC76_15_2f_e_2f_3f_2f:C-Cd-H-N-S +mp-707501,CdH24C4(BrN2)6,-5.4441013481,-0.5798654781,0.0021548853,0.0021548853,GGA,P2_1/c,A6B4CD24E12_mP188_14_6e_4e_e_24e_12e:Br-C-Cd-H-N,188.0,A6B4CD24E12_mP188_14_6e_4e_e_24e_12e:Br-C-Cd-H-N +mp-569847,CdH16C4(Br2N)2,-4.7513852909,-0.4918937494,0.0615602335,0.0615602335,GGA,P2_1/c,A4B4CD16E2_mP108_14_4e_4e_e_16e_2e:Br-C-Cd-H-N,108.0,"Invalid WP multiplicities - A4B4CD16E2_mP108_14_14e_14e_e_60e_4e:Br-C-Cd-H-N, expected CdH60C14(Br7N2)2 to be CdH16C4(Br2N)2" +mp-695891,CdH6C(BrN)3,-4.9977489939,-0.6994289020000001,0.0,-0.0036313935,GGA,C2/c,A3BCD6E3_mC56_15_ef_e_e_3f_ef:Br-C-Cd-H-N,28.0,"Invalid WP multiplicities - A3BCD6E3_mC56_15_e2f_e_e_5f_e2f:Br-C-Cd-H-N, expected CdH10C(BrN)5 to be CdH6C(BrN)3" +mp-697260,CdH8C2S2(BrN2)2,-5.3415481617000005,-0.5390763091,0.0420451561,0.0420451561,GGA,Pnma,A2B2CD8E4F2_oP76_62_2c_d_c_4d_2d_d:Br-C-Cd-H-N-S,76.0,A2B2CD8E4F2_oP76_62_2c_d_c_4d_2d_d:Br-C-Cd-H-N-S +mp-1199936,CdH2C4(S3N2)2,-6.2072278603,-0.1608935826,0.1910802393,0.1910802393,GGA,Pbcn,A4BC2D4E6_oP68_60_2d_c_d_2d_3d:C-Cd-H-N-S,68.0,A4BC2D4E6_oP68_60_2d_c_d_2d_3d:C-Cd-H-N-S +mp-24307,CdH8C4(S2N3)2,-6.0403973143,-0.3210873532,0.0738138442,0.0738138442,GGA,P-1,A4BC8D6E4_aP23_2_2i_a_4i_3i_2i:C-Cd-H-N-S,23.0,"Invalid WP multiplicities - A4BC8D6E4_aP23_2_2i_a_4i_4i_2i:C-Cd-H-N-S, expected CdH8C4(SN2)4 to be CdH8C4(S2N3)2" +mp-697087,SbH2(NF2)3,-5.1238727608,-1.1744717683,0.5315076202,0.5315076202,GGA,Pmc2_1,A6B2C3D_oP24_26_2a2c_c_3b_a:F-H-N-Sb,24.0,A6B2C3D_oP24_26_2a2c_c_3b_a:F-H-N-Sb +mp-1195631,SbH3NF6,-5.0438961589,-1.942755422,0.0188628362,0.0188628362,GGA,C2/c,A6B3CD_mC88_15_6f_3f_f_ae:F-H-N-Sb,44.0,A6B3CD_mC88_15_6f_3f_f_ce:F-H-N-Sb +mp-759408,AgH8C4N8F,-6.5263969786,-0.3676485831,0.1003275789,0.1003275789,GGA,P-1,AB4CD8E8_aP44_2_i_4i_i_8i_8i:Ag-C-F-H-N,44.0,"Invalid WP multiplicities - AB4CD8E8_aP44_2_i_7i_i_15i_15i:Ag-C-F-H-N, expected AgH15C7N15F to be AgH8C4N8F" +mp-1219526,SbH8N2F5,-5.0507056828,-1.4568810398,0.0151731503,0.0151731503,GGA,P2_1/m,A5B8C2D_mP32_11_e2f_4e2f_2e_e:F-H-N-Sb,32.0,"Invalid WP multiplicities - A5B8C2D_mP32_11_e8f_6e2f_2e_e:F-H-N-Sb, expected SbH10N2F17 to be SbH8N2F5" +mp-600218,SbH12C4NF4,-5.1705922459,-0.7279201302,0.1673270064,0.1673270064,GGA,P2_1/c,A4B4C12DE_mP88_14_4e_4e_12e_e_e:C-F-H-N-Sb,88.0,"Invalid WP multiplicities - A4B4C12DE_mP88_14_15e_15e_44e_e_e:C-F-H-N-Sb, expected SbH44C15NF15 to be SbH12C4NF4" +mp-1179670,SbH12C4NF4,-5.2442014917,-0.8015293760000001,0.0937177606,0.0937177606,GGA,P2_1/c,A4B4C12DE_mP88_14_4e_4e_12e_e_e:C-F-H-N-Sb,88.0,"Invalid WP multiplicities - A4B4C12DE_mP88_14_15e_15e_44e_e_e:C-F-H-N-Sb, expected SbH44C15NF15 to be SbH12C4NF4" +mp-697558,SbH12C2N6F5,-5.7658479471,-1.039870672,0.0,-0.0029284831,GGA,C2/m,A2B5C12D6E_mC104_12_2i_i2j_6j_2i2j_i:C-F-H-N-Sb,52.0,A2B5C12D6E_mC104_12_2i_i2j_6j_2i2j_i:C-F-H-N-Sb +mp-1195144,Sb2H3CNF14,-5.1644332452,-2.1757643606,0.0050321223,0.0050321223,GGA,P2_1/m,AB14C3DE2_mP42_11_e_6e4f_ef_e_2e:C-F-H-N-Sb,42.0,AB14C3DE2_mP42_11_e_6e4f_ef_e_2e:C-F-H-N-Sb +mp-690698,AgSbH2C2(NF3)2,-5.6471715796,-1.3367284387,0.1609159446,0.1609159446,GGA,Pnnm,AB2C6D2E2F_oP28_58_a_g_gh_g_g_c:Ag-C-F-H-N-Sb,28.0,AB2C6D2E2F_oP28_58_a_g_gh_g_g_c:Ag-C-F-H-N-Sb +mp-1203828,SbH6N2F5,-5.1113282359,-1.4887752218,0.0699773996,0.0699773996,GGA,Pnma,A5B6C2D_oP56_62_c2d_3d_d_c:F-H-N-Sb,56.0,A5B6C2D_oP56_62_c2d_3d_d_c:F-H-N-Sb +mp-722866,SbH6CN3F4,-5.6837243162,-1.259096073,0.0004728087,0.0004728087,GGA,P2_12_12_1,AB4C6D3E_oP60_19_a_4a_6a_3a_a:C-F-H-N-Sb,60.0,AB4C6D3E_oP60_19_a_4a_6a_3a_a:C-F-H-N-Sb +mp-1194805,Sb2H3NF11,-4.9795701726,-2.1678675737,0.0296893047,0.0296893047,GGA,P-1,A11B3CD2_aP34_2_11i_3i_i_2i:F-H-N-Sb,34.0,A11B3CD2_aP34_2_11i_3i_i_2i:F-H-N-Sb +mp-1201289,K2CaZrH16(CO3)8,-6.6883925827,-1.6959393493,0.0421660059,0.0421660059,GGA,I-4,A8BC16D2E24F_tI104_82_2g_a_4g_bc_6g_d:C-Ca-H-K-O-Zr,52.0,A8BC16D2E24F_tI104_82_2g_a_4g_bc_6g_d:C-Ca-H-K-O-Zr +mp-1235099,K4Li(CO3)2,-6.0753250077,-1.8839417841,0.1463976065,0.1463976065,GGA,C2/m,A2B4CD6_mC26_12_i_aci_b_ij:C-K-Li-O,13.0,"Invalid WP multiplicities - A2B4CD6_mC26_12_i_bci_a_2i3j:C-K-Li-O, expected K4Li(CO8)2 to be K4Li(CO3)2" +mp-1236223,K4Li(CO3)2,-6.0746670031,-1.8832837794,0.1470556111,0.1470556111,GGA,P-6m2,A2B4CD6_hP13_187_ad_bci_e_jk:C-K-Li-O,13.0,"Invalid WP multiplicities - A2B4CD6_hP13_187_ad_bci_e_2j2k:C-K-Li-O, expected K4Li(CO6)2 to be K4Li(CO3)2" +mp-562137,KLiCO3,-6.7085652942,-2.1938897208,0.0,-0.0106455481,GGA,P2_1/c,ABCD3_mP24_14_e_e_e_3e:C-K-Li-O,24.0,"Invalid WP multiplicities - ABCD3_mP24_14_e_e_e_8e:C-K-Li-O, expected KLiCO8 to be KLiCO3" +mp-1235408,K2LiNb2P2(CO7)2,-7.7606443409,-2.4184743932,0.1681348671,0.1681348671,GGA,P1,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Li-Nb-O-P,23.0,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Li-Nb-O-P +mp-1235953,K2LiNb2P2(CO7)2,-7.7634581883,-2.4212882406,0.1653210198,0.1653210198,GGA,P1,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Li-Nb-O-P,23.0,A2B2CD2E14F2_aP23_1_2a_2a_a_2a_14a_2a:C-K-Li-Nb-O-P +mp-1226397,CuH16PtC4N4O11,-6.0177349084,-0.9061626326,0.2060569568,0.2060569568,GGA,C2,A4BC16D4E11F_mC74_5_2c_a_8c_2c_a5c_b:C-Cu-H-N-O-Pt,37.0,"Invalid WP multiplicities - A4BC16D4E11F_mC74_5_4c_a_16c_4c_a9c_b:C-Cu-H-N-O-Pt, expected CuH32PtC8N8O19 to be CuH16PtC4N4O11" +mp-1196682,CuH12Pt(CN2)4,-6.1659387857,-0.2240282511,0.1019684998,0.1019684998,GGA,Pnma,A4BC12D8E_oP104_62_4c_c_6d_4c2d_c:C-Cu-H-N-Pt,104.0,A4BC12D8E_oP104_62_4c_c_6d_4c2d_c:C-Cu-H-N-Pt +mp-769604,K2MnPCO7,-7.3813952171,-2.3270950368,0.0,-0.0261134644,GGA+U,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-Mn-O-P,48.0,AB2CD7E_mP24_11_e_f_e_5ef_e:C-K-Mn-O-P +mp-761124,KLiMnPCO7,-7.46635363,-2.3455097897,0.0,-0.0026738944,GGA+U,P2_1,ABCDE7F_mP24_4_a_a_a_a_7a_a:C-K-Li-Mn-O-P,24.0,"Invalid WP multiplicities - ABCDE7F_mP24_4_a_a_a_a_13a_a:C-K-Li-Mn-O-P, expected KLiMnPCO13 to be KLiMnPCO7" +mp-761146,KLi2MnPCO7,-7.244216225,-2.3704432288,0.0699512234,0.0699512234,GGA+U,P2_1,ABC2DE7F_mP26_4_a_a_2a_a_7a_a:C-K-Li-Mn-O-P,26.0,"Invalid WP multiplicities - ABC2DE7F_mP26_4_a_a_3a_a_13a_a:C-K-Li-Mn-O-P, expected KLi3MnPCO13 to be KLi2MnPCO7" +mp-773432,KMnPCO7,-7.6159706545,-2.2031339985,0.0,-0.0043735311,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-K-Mn-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-K-Mn-O-P, expected KMnPCO13 to be KMnPCO7" +mp-1178149,K3MnPCO7,-7.1294544335,-2.3785312711,0.0,-0.0024484092,GGA+U,P2_1/m,AB3CD7E_mP26_11_e_ef_e_5ef_e:C-K-Mn-O-P,26.0,"Invalid WP multiplicities - AB3CD7E_mP26_11_e_2ef_e_9e2f_e:C-K-Mn-O-P, expected K4MnPCO13 to be K3MnPCO7" +mp-759934,K2LiMnPCO7,-7.1620653615,-2.3497172823,0.0615234013,0.0615234013,GGA+U,P2_1/m,AB2CDE7F_mP26_11_e_f_e_e_5ef_e:C-K-Li-Mn-O-P,52.0,AB2CDE7F_mP26_11_e_f_e_e_5ef_e:C-K-Li-Mn-O-P +mp-1228969,Ba16Ca2HC12N25O4,-7.4932620123,-1.2090847002,0.0187119461,0.0187119461,GGA,R-3,A16B12C2DE25F4_hR180_148_2c2f_2f_c_a_b4f_2c:Ba-C-Ca-H-N-O,60.0,"Invalid WP multiplicities - A16B12C2DE25F4_hR180_148_3c11f_11f_c_a_b22f_3c:Ba-C-Ca-H-N-O, expected Ba72Ca2HC66N133O6 to be Ba16Ca2HC12N25O4" +mp-559561,Na4MoS3O14,-6.5424385867,-2.0970411848,0.0,-0.0126145857,GGA+U,P2_12_12_1,AB4C14D3_oP88_19_a_4a_14a_3a:Mo-Na-O-S,88.0,"Invalid WP multiplicities - AB4C14D3_oP88_19_a_14a_51a_9a:Mo-Na-O-S, expected Na14Mo(S3O17)3 to be Na4MoS3O14" +mp-1224118,Na17(Mo15S19)4,-7.4651359535,-1.0102854537,0.0,-0.0099049904,GGA,Pm,A60B17C76_mP153_6_3a3b27c_2ab7c_3a3b35c:Mo-Na-S,153.0,"Invalid WP multiplicities - A60B17C76_mP153_6_3a3b51c_2ab10c_3a3b66c:Mo-Na-S, expected Na23(Mo18S23)6 to be Na17(Mo15S19)4" +mp-1222254,Mo3S13N2O,-5.5480349484,0.1325164811,0.8219147085,0.8219147085,GGA+U,P1,A3B2CD13_aP19_1_3a_2a_a_13a:Mo-N-O-S,19.0,A3B2CD13_aP19_1_3a_2a_a_13a:Mo-N-O-S +mp-1205248,K3H3PtS2Br2O7,-5.2774566697,-1.6337741326000002,0.1123229217,0.1123229217,GGA,P2_1/c,A2B3C3D7EF2_mP72_14_2e_3e_3e_7e_e_2e:Br-H-K-O-Pt-S,72.0,A2B3C3D7EF2_mP72_14_2e_3e_3e_7e_e_2e:Br-H-K-O-Pt-S +mp-572159,KFeC6(NO)3,-7.8175643143,-0.3317097414,0.4736510115,0.4736510115,GGA+U,R-3,A6BCD3E3_hR84_148_2f_c_c_f_f:C-Fe-K-N-O,28.0,"Invalid WP multiplicities - A6BCD3E3_hR84_148_7f_c_c_f_f:C-Fe-K-N-O, expected KFeC21(NO)3 to be KFeC6(NO)3" +mp-1224487,K2Fe2Co2C12N12O,-7.6950175026,0.3406628079,0.6301148298,0.6301148298,GGA+U,P1,A12B2C2D2E12F_aP31_1_12a_2a_2a_2a_12a_a:C-Co-Fe-K-N-O,31.0,A12B2C2D2E12F_aP31_1_12a_2a_2a_2a_12a_a:C-Co-Fe-K-N-O +mp-22776,K2FeCo(CN)6,-7.8610693094,-0.1616880966,0.1435378788,0.1435378788,GGA,Fm-3m,A6BCD2E6_cF64_225_e_a_b_c_e:C-Co-Fe-K-N,16.0,A6BCD2E6_cF64_225_e_a_b_c_e:C-Co-Fe-K-N +mp-706652,HOs3C10ClO10,-8.1816705664,-0.9545942851,0.1776128719,0.1776128719,GGA,P-1,A10BCD10E3_aP50_2_10i_i_i_10i_3i:C-Cl-H-O-Os,50.0,A10BCD10E3_aP50_2_10i_i_i_10i_3i:C-Cl-H-O-Os +mp-774223,K2H2OsCCl5O2,-5.1952799812,-1.4569458558,0.0276214685,0.0276214685,GGA,P2_1/c,AB5C2D2E2F_mP104_14_2e_10e_4e_4e_4e_2e:C-Cl-H-K-O-Os,104.0,"Invalid WP multiplicities - AB5C2D2E2F_mP104_14_3e_39e_15e_15e_15e_3e:C-Cl-H-K-O-Os, expected K5H5OsCCl13O5 to be K2H2OsCCl5O2" +mp-707931,H3Os4C12ClO12,-7.9874570959,-0.8924435034,0.1990507171,0.1990507171,GGA,P2_1/c,A12BC3D12E4_mP128_14_12e_e_3e_12e_4e:C-Cl-H-O-Os,128.0,A12BC3D12E4_mP128_14_12e_e_3e_12e_4e:C-Cl-H-O-Os +mp-561190,NaAu(SO4)2,-6.01998026,-1.6497455336,0.0,-0.0412177897,GGA,P2_1/c,ABC8D2_mP24_14_a_c_4e_e:Au-Na-O-S,24.0,"Invalid WP multiplicities - ABC8D2_mP24_14_a_c_12e_e:Au-Na-O-S, expected NaAu(SO12)2 to be NaAu(SO4)2" +mp-1198003,NaAu(S2O7)2,-6.16675326,-1.6469608241,0.0,-0.0257501663,GGA,P2_1/c,ABC14D4_mP40_14_a_d_7e_2e:Au-Na-O-S,40.0,ABC14D4_mP40_14_a_d_7e_2e:Au-Na-O-S +mp-734352,Na3Au(SO2)4,-5.5556490397000005,-1.5956010998,0.1791680808,0.1791680808,GGA,P2_1/c,AB3C8D4_mP64_14_e_3e_8e_4e:Au-Na-O-S,64.0,AB3C8D4_mP64_14_e_3e_8e_4e:Au-Na-O-S +mp-1204074,NaAuS,-3.7501974625,-0.8392450757000001,0.0,-0.0217651083,GGA,Ccce,ABC_oC96_68_cgi_efi_2i:Au-Na-S,48.0,ABC_oC96_68_cgi_efi_2i:Au-Na-S +mp-1199469,Na3H4Au(SO2)4,-5.3466231833,-1.5000396224,0.0748303342,0.0748303342,GGA,P2_1/c,AB4C3D8E4_mP80_14_e_4e_3e_8e_4e:Au-H-Na-O-S,80.0,AB4C3D8E4_mP80_14_e_4e_3e_8e_4e:Au-H-Na-O-S +mp-15567,Na3AuS2,-3.6566436233,-1.0709173543,0.0,-0.0300902569,GGA,R-3c,AB3C2_hR36_167_b_e_c:Au-Na-S,12.0,AB3C2_hR36_167_b_e_c:Au-Na-S +mp-28856,Na7Au5S6,-3.7163217418,-0.913778061,0.0026911076,0.0026911076,GGA,Pbcn,A5B7C6_oP72_60_a2d_c3d_3d:Au-Na-S,72.0,"Invalid WP multiplicities - A5B7C6_oP72_60_2a3d_c3d_4d:Au-Na-S, expected Na7(AuS)8 to be Na7Au5S6" +mp-1202992,NaH12AuC4(SO3)4,-5.6220802453,-0.9712024275,0.306988412,0.306988412,GGA,P-1,AB4C12DE12F4_aP34_2_a_2i_6i_c_6i_2i:Au-C-H-Na-O-S,34.0,AB4C12DE12F4_aP34_2_a_2i_6i_c_6i_2i:Au-C-H-Na-O-S +mp-757723,SrH4(SO4)3,-6.246761123,-1.8952605346,0.0,-0.0149603651,GGA,P-1,A4B12C3D_aP40_2_4i_12i_3i_i:H-O-S-Sr,40.0,"Invalid WP multiplicities - A4B12C3D_aP40_2_7i_23i_5i_i:H-O-S-Sr, expected SrH7S5O23 to be SrH4(SO4)3" +mp-697285,SrH10(SO4)2,-5.472689188,-1.4982528391,0.0590165097,0.0590165097,GGA,C2/c,A10B8C2D_mC168_15_10f_8f_2f_f:H-O-S-Sr,84.0,A10B8C2D_mC168_15_10f_8f_2f_f:H-O-S-Sr +mp-1201060,NaSrPH18SO12,-5.4547974803,-1.5432944078,0.0185243706,0.0185243706,GGA,P2_13,A18BC12DEF_cP136_198_6b_a_4b_a_a_a:H-Na-O-P-S-Sr,136.0,A18BC12DEF_cP136_198_6b_a_4b_a_a_a:H-Na-O-P-S-Sr +mp-1200274,Na2SrP2H16(S3O4)2,-5.0871358061,-1.2632222443,0.0089069927,0.0089069927,GGA,C2/c,A16B2C8D2E6F_mC140_15_8f_ce_4f_f_3f_e:H-Na-O-P-S-Sr,70.0,A16B2C8D2E6F_mC140_15_8f_ae_4f_f_3f_e:H-Na-O-P-S-Sr +mp-1201697,SrPH10S3O5,-5.2050938227,-1.2964513444,0.0248249806,0.0248249806,GGA,P-1,A10B5CD3E_aP80_2_20i_10i_2i_6i_2i:H-O-P-S-Sr,80.0,A10B5CD3E_aP80_2_20i_10i_2i_6i_2i:H-O-P-S-Sr +mp-541015,ScH13Cl2O7,-5.4027064348,-1.5434976527000002,0.0,-0.0136947659,GGA,Pnnm,A2B13C7D_oP92_58_2g_5g4h_3g2h_g:Cl-H-O-Sc,92.0,A2B13C7D_oP92_58_2g_5g4h_3g2h_g:Cl-H-O-Sc +mp-23414,Sc4NCl6,-6.3948233005,-2.3259513636,0.0,-0.0100968061,GGA,Pbam,A6BC4_oP22_55_g2h_a_gh:Cl-N-Sc,22.0,"Invalid WP multiplicities - A6BC4_oP22_55_g3h_a_gh:Cl-N-Sc, expected Sc4NCl8 to be Sc4NCl6" +mp-28480,Sc2NCl2,-7.240766126,-2.301064835,0.0,-0.0371685083,GGA,P-3m1,A2BC2_hP5_164_d_a_d:Cl-N-Sc,5.0,A2BC2_hP5_164_d_a_d:Cl-N-Sc +mp-31025,Sc5NCl8,-6.2258456143,-2.3124789193,0.011549786,0.011549786,GGA,C2/m,A8BC5_mC28_12_4i_a_c2i:Cl-N-Sc,14.0,A8BC5_mC28_12_4i_a_c2i:Cl-N-Sc +mp-756748,ScH3(ClO5)2,-5.5573773913,-1.2027144117,0.0,-0.0289033902,GGA,P2_1/c,A2B3C10D_mP64_14_2e_3e_10e_e:Cl-H-O-Sc,64.0,"Invalid WP multiplicities - A2B3C10D_mP64_14_5e_9e_39e_e:Cl-H-O-Sc, expected ScH9Cl5O39 to be ScH3(ClO5)2" +mp-24081,ScHCl,-5.4821014717,-1.6241908683,0.0,-0.0736644436,GGA,R-3m,ABC_hR18_166_c_c_c:Cl-H-Sc,6.0,ABC_hR18_166_c_c_c:Cl-H-Sc +mp-505794,ScH6N2Cl3,-5.3009439427,-1.2253251756,0.0,-0.0286374994,GGA,P-1,A3B6C2D_aP48_2_6i_12i_4i_2i:Cl-H-N-Sc,48.0,A3B6C2D_aP48_2_6i_12i_4i_2i:Cl-H-N-Sc +mp-24741,ScH3NCl3,-5.3719220669,-1.5728280487,0.0,-0.009186172,GGA,P-1,A3B3CD_aP32_2_6i_6i_2i_2i:Cl-H-N-Sc,32.0,"Invalid WP multiplicities - A3B3CD_aP32_2_9i_6i_3i_2i:Cl-H-N-Sc, expected Sc2H6(NCl3)3 to be ScH3NCl3" +mp-29579,Sc7NCl12,-6.0637116325,-2.3214007035,0.0005130775,0.0005130775,GGA,R-3,A12BC7_hR60_148_2f_a_bf:Cl-N-Sc,20.0,A12BC7_hR60_148_2f_a_bf:Cl-N-Sc +mp-1198947,FeHg2C6S2(NO2)2,-6.6869569646,-0.2644852396,0.510008301,0.510008301,GGA+U,I4_1/a,A6BC2D2E4F2_tI136_88_3f_e_f_f_2f_f:C-Fe-Hg-N-O-S,68.0,A6BC2D2E4F2_tI136_88_3f_e_f_f_2f_f:C-Fe-Hg-N-O-S +mp-541913,FeHgC4(SN)4,-6.87908836,-0.0519353091,0.215070333,0.215070333,GGA,I-4,A4BCD4E4_tI28_82_g_a_c_g_g:C-Fe-Hg-N-S,14.0,A4BCD4E4_tI28_82_g_a_c_g_g:C-Fe-Hg-N-S +mp-1181651,FeC4S2N3O5,-6.7818932757,0.1114741407,1.1662678799,1.1662678799,GGA+U,P-1,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S,30.0,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S +mp-1193023,FeC4S2N3O5,-6.7845102927,0.1088571237,1.1636508629,1.1636508629,GGA+U,P-1,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S,30.0,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S +mp-1238261,FeC4S2N3O5,-6.7854603703,0.107907046,1.1627007853,1.1627007853,GGA+U,P-1,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S,30.0,A4BC3D5E2_aP30_2_4i_i_3i_5i_2i:C-Fe-N-O-S +mp-1180947,KTbRuC6(N3O2)2,-7.6037322368,-0.2249488191,0.8156342308000001,0.8156342308000001,GGA,Cmcm,A6BC6D4EF_oC76_63_fh_c_fh_fg_a_c:C-K-N-O-Ru-Tb,38.0,A6BC6D4EF_oC76_63_fh_c_fh_fg_a_c:C-K-N-O-Ru-Tb +mp-1181143,KTb(N2O7)2,-6.4067328533,-0.989513518,0.3178643885,0.3178643885,GGA,Pna2_1,AB4C14D_oP80_33_a_4a_14a_a:K-N-O-Tb,80.0,AB4C14D_oP80_33_a_4a_14a_a:K-N-O-Tb +mp-1199289,K4RuC6(N3O)2,-6.9814108684,-0.1919193813,0.5387789325,0.5387789325,GGA,C2/c,A6B4C6D2E_mC76_15_2e2f_2f_2e2f_f_e:C-K-N-O-Ru,38.0,A6B4C6D2E_mC76_15_2e2f_2f_2e2f_f_e:C-K-N-O-Ru +mp-759759,NaGa3P2(HO3)4,-6.459578275,-2.1793697709,0.0080894125,0.0080894125,GGA,P2_1/c,A3B4CD12E2_mP88_14_3e_4e_e_12e_2e:Ga-H-Na-O-P,88.0,"Invalid WP multiplicities - A3B4CD12E2_mP88_14_9e_15e_e_45e_7e:Ga-H-Na-O-P, expected NaGa9P7(HO3)15 to be NaGa3P2(HO3)4" +mp-733844,Na3GaP2H2O9,-6.4311489838,-2.3648003128,0.0,-0.0074218946,GGA,C2/m,AB2C3D9E2_mC68_12_e_2i_fgi_5i2j_2i:Ga-H-Na-O-P,34.0,AB2C3D9E2_mC68_12_f_2i_egi_5i2j_2i:Ga-H-Na-O-P +mp-1199672,NaGaBP2H3O10,-6.8511354658,-2.3232641687,0.0017395058,0.0017395058,GGA,C2/c,ABC3DE10F2_mC72_15_e_c_df_e_5f_f:B-Ga-H-Na-O-P,36.0,ABC3DE10F2_mC72_15_e_a_bf_e_5f_f:B-Ga-H-Na-O-P +mp-1238646,NaGaBP2H3O10,-6.6261941033,-2.0983228062,0.2266808683,0.2266808683,GGA,C2/c,ABC3DE10F2_mC72_15_e_c_df_e_5f_f:B-Ga-H-Na-O-P,36.0,ABC3DE10F2_mC72_15_e_c_df_e_5f_f:B-Ga-H-Na-O-P +mp-2714035,NaY2In2PS5O24,-7.0844455026,-2.3823050485,0.0194368444,0.0194368444,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:In-Na-O-P-S-Y,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:In-Na-O-P-S-Y +mp-2714967,Na5Y2In2P5SO24,-7.2211558338,-2.7346833307,0.0417434665,0.0417434665,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-S-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:In-Na-O-P-S-Y +mp-2713791,Na3Y2In2P3(SO8)3,-7.1582768786,-2.5697992635,0.0346928933,0.0346928933,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:In-Na-O-P-S-Y,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:In-Na-O-P-S-Y +mp-2713274,Na2YInP2SO12,-7.1854235559,-2.6492906693,0.047347571,0.047347571,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-P-S-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:In-Na-O-P-S-Y +mp-2714426,NaYInP(SO6)2,-7.129073934,-2.48534355,0.0218832965,0.0218832965,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:In-Na-O-P-S-Y,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:In-Na-O-P-S-Y +mp-1199329,GdPH(CO3)2,-8.263012158,-1.8066836085,0.6166372343000001,0.6166372343000001,GGA,C2/m,A2BCD6E_mC88_12_2j_j_2i_2i5j_2i:C-Gd-H-O-P,44.0,A2BCD6E_mC88_12_2j_j_2i_2i5j_2i:C-Gd-H-O-P +mp-556657,GdPH5CO7,-7.351205125,-1.9973023621,0.1155868042,0.1155868042,GGA,P-1,ABC5D7E_aP30_2_i_i_5i_7i_i:C-Gd-H-O-P,30.0,"Invalid WP multiplicities - ABC5D7E_aP30_2_i_i_10i_13i_i:C-Gd-H-O-P, expected GdPH10CO13 to be GdPH5CO7" +mp-1194955,Na3Gd(CO3)3,-8.0165780222,-2.3759597097,0.0,-0.1011374079,GGA,Ama2,A3BC3D9_oC64_40_bc_b_a2b_3b3c:C-Gd-Na-O,32.0,A3BC3D9_oC64_40_bc_b_a2b_3b3c:C-Gd-Na-O +mp-1202938,NaGdP2H2CO7,-7.5480263193,-2.0575840973,0.4134766903,0.4134766903,GGA,P2_1/c,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Gd-H-Na-O-P,56.0,ABC2DE7F2_mP56_14_e_e_2e_e_7e_2e:C-Gd-H-Na-O-P +mp-1201334,NiH20PdC4(NO3)4,-6.0174872176,-1.054738513,0.0482154574,0.0482154574,GGA+U,I222,A4B20C4DE12F_oI84_23_k_5k_k_a_fg2k_b:C-H-N-Ni-O-Pd,42.0,A4B20C4DE12F_oI84_23_k_5k_k_a_fg2k_b:C-H-N-Ni-O-Pd +mp-1186345,NiPdO3,-5.303599806,-0.1435828812,0.780930656,0.780930656,GGA+U,Pm-3m,AB3C_cP5_221_b_c_a:Ni-O-Pd,5.0,AB3C_cP5_221_b_c_a:Ni-O-Pd +mp-1219420,SmB7H7O17,-7.1763490478,-2.197689081,0.1142485667,0.1142485667,GGA,P-1,A7B7C17D_aP64_2_7i_7i_17i_i:B-H-O-Sm,64.0,"Invalid WP multiplicities - A7B7C17D_aP64_2_11i_13i_31i_i:B-H-O-Sm, expected SmB11H13O31 to be SmB7H7O17" +mp-1199202,SmB7(HO2)8,-7.3040101383,-2.3739115048,0.0,-0.0014354031,GGA,P-1,A7B8C16D_aP64_2_7i_8i_16i_i:B-H-O-Sm,64.0,A7B8C16D_aP64_2_7i_8i_16i_i:B-H-O-Sm +mp-1194497,Sm(BH4)2,-4.4245314591,-0.3136970921,0.0544656336,0.0544656336,GGA,Pbcn,A2B8C_oP44_60_d_4d_c:B-H-Sm,44.0,A2B8C_oP44_60_d_4d_c:B-H-Sm +mp-1208640,SmGa3(BO3)4,-7.7742616575,-2.7802263665,0.0130119212,0.0130119212,GGA,R32,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Sm,20.0,A4B3C12D_hR60_155_ad_e_2df_b:B-Ga-O-Sm +mp-1201785,SmB9(HO3)6,-7.6575405507,-2.5331327523,0.0,-0.0016772325,GGA,P2_1/c,A9B6C18D_mP136_14_9e_6e_18e_e:B-H-O-Sm,136.0,A9B6C18D_mP136_14_9e_6e_18e_e:B-H-O-Sm +mp-1201408,CsGaBP2HO9,-7.1744325848,-2.5516046098,0.0,-0.0046209094,GGA,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-Cs-Ga-H-O-P,60.0,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-Cs-Ga-H-O-P +mp-556330,Cs2Ga2B2O7,-6.8119614325,-2.5171459471,0.0,-0.0404075552,GGA,P2_1/c,A2B2C2D7_mP52_14_2e_2e_2e_7e:B-Cs-Ga-O,52.0,"Invalid WP multiplicities - A2B2C2D7_mP52_14_4e_7e_6e_24e:B-Cs-Ga-O, expected Cs7Ga6(BO6)4 to be Cs2Ga2B2O7" +mp-1197384,CoH12PdC4(NO3)4,-6.0595258812,-0.6882959297,0.5081447014,0.5081447014,GGA+U,C2/m,A4BC12D4E12F_mC68_12_j_a_3j_j_hi2j_b:C-Co-H-N-O-Pd,34.0,A4BC12D4E12F_mC68_12_j_a_3j_j_hi2j_b:C-Co-H-N-O-Pd +mp-1204177,Na6Co3B9P6H3O38,-7.3059270005,-2.3827455345,0.0902642476,0.0902642476,GGA+U,P6_3,A9B3C3D6E38F6_hP130_173_3c_c_c_a2bc_ab12c_2c:B-Co-H-Na-O-P,130.0,A9B3C3D6E38F6_hP130_173_3c_c_c_a2bc_ab12c_2c:B-Co-H-Na-O-P +mp-1652832,Na3CoBPO7,-6.742336541,-2.2965358539,0.0899888144,0.0899888144,GGA+U,P1,ABC3D7E_aP52_1_4a_4a_12a_28a_4a:B-Co-Na-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_mP52_6_2a2b_2a2b_2a2b8c_10a10b8c_2a2b:B-Co-Na-O-P, expected Na5CoBPO9 to be Na3CoBPO7" +mp-1579081,Na3CoBPO7,-6.7530305152,-2.3072298281,0.0792948402,0.0792948402,GGA+U,P-1,ABC3D7E_aP52_2_2i_2i_6i_14i_2i:B-Co-Na-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_aP52_2_3i_3i_10i_22i_3i:B-Co-Na-O-P, expected Na10Co3B3P3O22 to be Na3CoBPO7" +mp-1651273,Na3CoBPO7,-6.7438840477,-2.2980833606,0.0884413077,0.0884413077,GGA+U,P2_1,ABC3D7E_mP26_4_a_a_3a_7a_a:B-Co-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-P +mp-1650881,Na3CoBPO7,-6.76349175,-2.317691063,0.0688336054,0.0688336054,GGA+U,Pm,ABC3D7E_mP26_6_ab_ab_ab2c_5a5b2c_ab:B-Co-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-P +mp-756305,Na3CoBPO7,-6.7705805423,-2.3247798553,0.0617448131,0.0617448131,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Co-Na-O-P +mp-562382,NaCoBP2H2O9,-7.1408032431,-2.3131475954000003,0.0145255683,0.0145255683,GGA+U,P2_1/c,ABC2DE9F2_mP64_14_e_e_2e_e_9e_2e:B-Co-H-Na-O-P,64.0,"Invalid WP multiplicities - ABC2DE9F2_mP64_14_e_e_4e_e_33e_5e:B-Co-H-Na-O-P, expected NaCoBP5H4O33 to be NaCoBP2H2O9" +mp-1211027,NaCoBP2H4O11,-6.6091999086,-1.9131339148,0.1512291726,0.1512291726,GGA+U,P6_122,ABC4DE11F2_hP120_178_b_b_2c_b_a5c_c:B-Co-H-Na-O-P,120.0,ABC4DE11F2_hP120_178_b_b_2c_b_a5c_c:B-Co-H-Na-O-P +mp-23973,KMnPH2O5,-6.9090862128,-2.1886249736,0.0142702887,0.0142702887,GGA+U,Pmn2_1,A2BCD5E_oP20_31_b_a_a_3ab_a:H-K-Mn-O-P,40.0,A2BCD5E_oP20_31_b_a_a_3ab_a:H-K-Mn-O-P +mp-1201463,K4Mn3P6(HO3)8,-6.9694985219,-2.29683643,0.0,-0.0019174228,GGA+U,P2_1/c,A8B4C3D24E6_mP90_14_4e_2e_ae_12e_3e:H-K-Mn-O-P,90.0,A8B4C3D24E6_mP90_14_4e_2e_ae_12e_3e:H-K-Mn-O-P +mp-758391,KMn2P2HO9,-7.5780618653,-2.3664645993,0.016161151,-0.0092604295,GGA+U,P2_1/m,ABC2D9E2_mP30_11_e_e_ae_5e2f_2e:H-K-Mn-O-P,30.0,"Invalid WP multiplicities - ABC2D9E2_mP30_11_e_e_ae_9e4f_3e:H-K-Mn-O-P, expected KMn2P3HO17 to be KMn2P2HO9" +mp-1193430,KMn2P2HO9,-7.5942230163,-2.3826257503,0.0,-0.0254215805,GGA+U,P2_1/m,ABC2D9E2_mP30_11_e_e_ae_5e2f_2e:H-K-Mn-O-P,30.0,ABC2D9E2_mP30_11_e_e_ae_5e2f_2e:H-K-Mn-O-P +mp-1224570,KMnP2H5O9,-6.6730546193,-2.085118626,4.21778e-05,4.21778e-05,GGA+U,Pna2_1,A5BCD9E2_oP72_33_5a_a_a_9a_2a:H-K-Mn-O-P,72.0,"Invalid WP multiplicities - A5BCD9E2_oP72_33_15a_a_a_24a_7a:H-K-Mn-O-P, expected KMnP7(H5O8)3 to be KMnP2H5O9" +mp-1640489,KMnP3HO10,-7.4360411264,-2.4752951941,0.0005548687,-0.0166365117,GGA+U,P1,ABCD10E3_aP32_1_2a_2a_2a_20a_6a:H-K-Mn-O-P,64.0,"Invalid WP multiplicities - ABCD10E3_aP32_1_2a_2a_4a_20a_6a:H-K-Mn-O-P, expected KMn2P3HO10 to be KMnP3HO10" +mp-762493,KMnP3HO10,-7.4353373281,-2.4745913958,0.001258667,-0.0159327134,GGA+U,P-1,ABCD10E3_aP32_2_ah_i_be_10i_3i:H-K-Mn-O-P,64.0,ABCD10E3_aP32_2_ah_i_be_10i_3i:H-K-Mn-O-P +mp-510562,KMnP3HO10,-7.4365959952,-2.4758500629,0.0,-0.0171913805,GGA+U,C2/c,ABCD10E3_mC64_15_c_e_d_5f_ef:H-K-Mn-O-P,64.0,ABCD10E3_mC64_15_a_e_b_5f_ef:H-K-Mn-O-P +mp-849787,K2MnP4(HO2)8,-6.6351686135,-2.1408185828,0.0021115923,0.0021115923,GGA+U,Pnma,A8B2CD16E4_oP124_62_4d_2c_c_2c7d_2d:H-K-Mn-O-P,124.0,"Invalid WP multiplicities - A8B2CD16E4_oP124_62_13d_5c_c_7c26d_5d:H-K-Mn-O-P, expected K5MnP10H26O59 to be K2MnP4(HO2)8" +mp-863756,K2Mn3P4(HO3)4,-7.114861442,-2.1432125415,0.0,-0.0108365249,GGA+U,R-3m,A4B2C3D12E4_hR75_166_2c_c_ac_2h_2c:H-K-Mn-O-P,50.0,"Invalid WP multiplicities - A4B2C3D12E4_hR75_166_2c_c_a2c_2h_2c:H-K-Mn-O-P, expected K2Mn5P4(HO3)4 to be K2Mn3P4(HO3)4" +mp-1224486,K3Mn4P5H3O20,-7.4702621987,-2.4371844015,0.0,-0.0063807071,GGA+U,Cc,A3B3C4D20E5_mC140_9_3a_3a_4a_20a_5a:H-K-Mn-O-P,70.0,"Invalid WP multiplicities - A3B3C4D20E5_mC140_9_4a_4a_5a_30a_7a:H-K-Mn-O-P, expected K4Mn5P7(H2O15)2 to be K3Mn4P5H3O20" +mp-758504,K2Mg3P4(H5O6)4,-6.0430062991,-1.9816874681,0.0127693732,0.0127693732,GGA,P2_1/c,A20B2C3D24E4_mP106_14_10e_e_ae_12e_2e:H-K-Mg-O-P,106.0,"Invalid WP multiplicities - A20B2C3D24E4_mP106_14_37e_e_ae_45e_3e:H-K-Mg-O-P, expected K2Mg3P6(H37O45)2 to be K2Mg3P4(H5O6)4" +mp-1233276,K2MgMn2P6(HO10)2,-7.3900449403,-2.5311313075,0.054852546,0.054852546,GGA+U,P1,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P,33.0,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P +mp-1233500,K2MgMn2P6(HO10)2,-7.3950311224,-2.5361174896,0.0498663639,0.0498663639,GGA+U,P1,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P,33.0,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P +mp-2216002,K2MgMn2P6(HO10)2,-7.3806762036,-2.5217625708,0.0642212826,0.0642212826,GGA+U,P1,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P,33.0,A2B2CD2E20F6_aP33_1_2a_2a_a_2a_20a_6a:H-K-Mg-Mn-O-P +mp-1233305,K2MgMn2P6(HO10)2,-7.3714536433,-2.5125400105,0.0734438429,0.0734438429,GGA+U,P-1,A2B2CD2E20F6_aP33_2_ah_i_c_be_10i_3i:H-K-Mg-Mn-O-P,33.0,"Invalid WP multiplicities - A2B2CD2E20F6_aP33_2_ah_i_c_be_19i_5i:H-K-Mg-Mn-O-P, expected K2MgMn2P10(HO19)2 to be K2MgMn2P6(HO10)2" +mp-721617,KMgP(H6O5)2,-5.6690329284,-1.7368896822000002,0.0031067243,0.0031067243,GGA,Pmn2_1,A12BCD10E_oP50_31_2a5b_a_a_4a3b_a:H-K-Mg-O-P,50.0,A12BCD10E_oP50_31_2a5b_a_a_4a3b_a:H-K-Mg-O-P +mp-1204159,K2MgP4(HO2)8,-6.4691645613,-2.2187414738,0.0,-0.0039851513,GGA,P-1,A8B2CD16E4_aP31_2_4i_i_a_8i_2i:H-K-Mg-O-P,31.0,A8B2CD16E4_aP31_2_4i_i_a_8i_2i:H-K-Mg-O-P +mp-677617,KMgP2H5O9,-5.9176241162,-1.7497845253,0.4619989203,0.459973114,GGA,Pna2_1,A5BCD9E2_oP72_33_5a_a_a_9a_2a:H-K-Mg-O-P,72.0,"Invalid WP multiplicities - A5BCD9E2_oP72_33_19a_a_a_34a_8a:H-K-Mg-O-P, expected KMgP8H19O34 to be KMgP2H5O9" +mp-1224014,KMgP2H5O9,-6.3796230365,-2.2117834456,0.0,-0.0020258063,GGA,Pna2_1,A5BCD9E2_oP72_33_5a_a_a_9a_2a:H-K-Mg-O-P,72.0,"Invalid WP multiplicities - A5BCD9E2_oP72_33_15a_a_a_24a_7a:H-K-Mg-O-P, expected KMgP7(H5O8)3 to be KMgP2H5O9" +mp-1224657,KMg2P2H31O23,-5.5447019324,-1.577144105,0.0602031854,0.0602031854,GGA,P1,A31BC2D23E2_aP59_1_31a_a_2a_23a_2a:H-K-Mg-O-P,59.0,A31BC2D23E2_aP59_1_31a_a_2a_23a_2a:H-K-Mg-O-P +mp-2714291,NaY2Ga2PS5O24,-7.0824454038,-2.3645099616,0.0680035698,0.0680035698,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ga-Na-O-P-S-Y,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Ga-Na-O-P-S-Y +mp-2713306,Na2YGaP2SO12,-7.2041433657,-2.6534624637,0.0808237727,0.0808237727,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-P-S-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Ga-Na-O-P-S-Y +mp-2713928,Na3Y2Ga2P3(SO8)3,-7.1794604966,-2.5760416765,0.0671159899,0.0671159899,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ga-Na-O-P-S-Y,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Ga-Na-O-P-S-Y +mp-2715189,Na5Y2Ga2P5SO24,-7.2203839235,-2.7197364310000003,0.0775163776,0.0775163776,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-S-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Ga-Na-O-P-S-Y +mp-2714445,NaYGaP(SO6)2,-7.1458167829,-2.4867301604,0.0602362376,0.0602362376,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Ga-Na-O-P-S-Y,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Ga-Na-O-P-S-Y +mp-1222075,MgC2S2(OF)2,-5.2669418244,-0.5950700326,1.3683453698,1.3683453698,GGA,P-1,A2B2CD2E2_aP9_2_i_i_a_i_i:C-F-Mg-O-S,9.0,A2B2CD2E2_aP9_2_i_i_a_i_i:C-F-Mg-O-S +mp-2229247,MgCuC2S2(OF)6,-5.6049758656,-1.5172690038,0.5962141363,0.5962141363,GGA,P-1,A2BC6DE6F2_aP18_2_i_b_3i_e_3i_i:C-Cu-F-Mg-O-S,18.0,"Invalid WP multiplicities - A2BC6DE6F2_aP18_2_i_b_5i_e_5i_i:C-Cu-F-Mg-O-S, expected MgCuC2S2(OF)10 to be MgCuC2S2(OF)6" +mp-684804,MgC2S2(OF3)2,-5.4717372865,-1.649217133,0.5421370848,0.5421370848,GGA,P-1,A2B6CD2E2_aP26_2_2i_6i_bd_2i_2i:C-F-Mg-O-S,26.0,"Invalid WP multiplicities - A2B6CD2E2_aP26_2_3i_11i_bd_3i_3i:C-F-Mg-O-S, expected MgC3S3O3F11 to be MgC2S2(OF3)2" +mp-555656,CuC2S2(OF)6,-5.9209937559,-1.6869676699,0.1774537113,0.1774537113,GGA,P-1,A2BC6D6E2_aP17_2_i_a_3i_3i_i:C-Cu-F-O-S,17.0,"Invalid WP multiplicities - A2BC6D6E2_aP17_2_i_a_5i_5i_i:C-Cu-F-O-S, expected CuC2S2(OF)10 to be CuC2S2(OF)6" +mp-767562,Na2LuPCO7,-7.4868133212,-2.7839141475,0.0148904252,0.0148904252,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Lu-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Lu-Na-O-P, expected Na2LuPCO13 to be Na2LuPCO7" +mp-1221113,NaLuP2H2CO7,-6.8717170425,-2.0637870862,0.4429598794,0.4429598794,GGA,P-1,AB2CDE7F2_aP28_2_i_2i_i_i_ab6i_2i:C-H-Lu-Na-O-P,28.0,AB2CDE7F2_aP28_2_i_2i_i_i_ab6i_2i:C-H-Lu-Na-O-P +mp-1195683,Na5LuH4(C2O7)2,-6.7749402396,-2.1009122005,0.0,-0.0244279881,GGA,P-42_1c,A4B4CD5E14_tP56_114_e_e_a_be_d3e:C-H-Lu-Na-O,56.0,A4B4CD5E14_tP56_114_e_e_a_be_d3e:C-H-Lu-Na-O +mp-1214973,AuC2S2BrN4,-5.944732501,0.5455795739,0.7248281984,0.7248281984,GGA,C2/c,ABC2D4E2_mC40_15_a_e_f_2f_f:Au-Br-C-N-S,20.0,ABC2D4E2_mC40_15_c_e_f_2f_f:Au-Br-C-N-S +mp-740707,H8AuC2S2BrN4,-5.5447813942,-0.4311742215,0.0285516746,0.0285516746,GGA,C2/c,ABC2D8E4F2_mC72_15_a_e_f_4f_2f_f:Au-Br-C-H-N-S,36.0,ABC2D8E4F2_mC72_15_c_e_f_4f_2f_f:Au-Br-C-H-N-S +mp-733613,H6AuBrN2,-4.6938305221,-0.5082048771000001,0.0303106857,0.0303106857,GGA,Pnma,ABC6D2_oP80_62_2c_d_2c5d_2cd:Au-Br-H-N,80.0,ABC6D2_oP80_62_2c_d_2c5d_2cd:Au-Br-H-N +mp-973694,H8PdC2NCl3,-4.8236294057,-0.5128876683,0.0550338335,0.0550338335,GGA,C2/c,A2B3C8DE_mC60_15_f_ef_4f_e_a:C-Cl-H-N-Pd,30.0,"Invalid WP multiplicities - A2B3C8DE_mC60_15_f_2ef_13f_e_a:C-Cl-H-N-Pd, expected H26PdC2NCl4 to be H8PdC2NCl3" +mp-1198297,H12PdC2(N3Cl2)2,-5.4886419545,-0.6181202935,0.0005126369,0.0005126369,GGA,P4_2/n,A2B4C12D6E_tP100_86_g_2g_6g_3g_c:C-Cl-H-N-Pd,100.0,A2B4C12D6E_tP100_86_g_2g_6g_3g_c:C-Cl-H-N-Pd +mp-707284,H24PdC8(NCl2)2,-5.0688674356,-0.338052889,0.0955585271,0.0955585271,GGA,P4_2/mnm,A8B4C24D2E_tP78_136_k_ef_3k_d_a:C-Cl-H-N-Pd,78.0,A8B4C24D2E_tP78_136_k_ef_3k_d_a:C-Cl-H-N-Pd +mp-766411,H16PdC4S4(N4Cl)2,-5.7118908133,-0.4743767365,0.0351561594,0.0351561594,GGA,C2/c,A4B2C16D8EF4_mC140_15_2f_f_8f_4f_e_2f:C-Cl-H-N-Pd-S,70.0,"Invalid WP multiplicities - A4B2C16D8EF4_mC140_15_3f_f_27f_7f_e_3f:C-Cl-H-N-Pd-S, expected H54PdC6S6(N7Cl)2 to be H16PdC4S4(N4Cl)2" +mp-1204275,H16PdC4S4(N4Cl)2,-5.7095175245,-0.4720034477,0.0375294482,0.0375294482,GGA,Pna2_1,A4B2C16D8EF4_oP140_33_4a_2a_16a_8a_a_4a:C-Cl-H-N-Pd-S,140.0,A4B2C16D8EF4_oP140_33_4a_2a_16a_8a_a_4a:C-Cl-H-N-Pd-S +mp-1215134,AlP2H12N3O8,-6.1823217749,-1.5720183961,0.0,-0.0075139411,GGA,P2_1/c,AB12C3D8E2_mP104_14_e_12e_3e_8e_2e:Al-H-N-O-P,104.0,AB12C3D8E2_mP104_14_e_12e_3e_8e_2e:Al-H-N-O-P +mp-693340,Al4Zn4P8H13N3O32,-6.7712413478,-2.2284810364,0.0190270088,0.0190270088,GGA,P1,A4B13C3D32E8F4_aP64_1_4a_13a_3a_32a_8a_4a:Al-H-N-O-P-Zn,64.0,A4B13C3D32E8F4_aP64_1_4a_13a_3a_32a_8a_4a:Al-H-N-O-P-Zn +mp-1246018,Al2Zn3N4,-5.5152530594,-0.5578794828,0.164043275,0.164043275,GGA,C2/c,A2B4C3_mC36_15_f_2f_ef:Al-N-Zn,18.0,A2B4C3_mC36_15_f_2f_ef:Al-N-Zn +mp-1215028,Al2P3H12(NO4)3,-6.5023811322,-1.8519586,0.0106154959,0.0106154959,GGA,C2/c,A2B12C3D12E3_mC128_15_f_6f_ef_6f_ef:Al-H-N-O-P,64.0,A2B12C3D12E3_mC128_15_f_6f_ef_6f_ef:Al-H-N-O-P +mp-1215089,Al2P2H6NO11,-6.5060047801,-1.8958146123,0.3313795568,0.3313795568,GGA,P2_12_12_1,A2B6CD11E2_oP88_19_2a_6a_a_11a_2a:Al-H-N-O-P,88.0,A2B6CD11E2_oP88_19_2a_6a_a_11a_2a:Al-H-N-O-P +mp-686801,Al6ZnP4(H4O7)4,-5.91258591,-1.5820893782,0.7241190789,0.7241190789,GGA,P-1,A6B16C28D4E_aP55_2_3i_8i_14i_2i_a:Al-H-O-P-Zn,55.0,"Invalid WP multiplicities - A6B16C28D4E_aP55_2_5i_15i_27i_3i_a:Al-H-O-P-Zn, expected Al10ZnP6(H5O9)6 to be Al6ZnP4(H4O7)4" +mp-1201890,Al4P5HN2O21,-7.1870119818,-2.1568606277,0.5119554118,0.5119554118,GGA,P2_1,A4BC2D21E5_mP66_4_4a_a_2a_21a_5a:Al-H-N-O-P,66.0,A4BC2D21E5_mP66_4_4a_a_2a_21a_5a:Al-H-N-O-P +mp-23819,Al2P2H9NO11,-6.4999724463,-2.0358779732,0.0089631896,0.0089631896,GGA,P2_1/c,A2B9CD11E2_mP100_14_2e_9e_e_11e_2e:Al-H-N-O-P,100.0,"Invalid WP multiplicities - A2B9CD11E2_mP100_14_2e_12e_e_15e_2e:Al-H-N-O-P, expected Al2P2H12NO15 to be Al2P2H9NO11" +mp-616625,MoPN(Cl3O)2,-5.3733989686,-1.229758521,0.2523667009,0.2523667009,GGA+U,P2_1/c,A6BCD2E_mP44_14_6e_e_e_2e_e:Cl-Mo-N-O-P,44.0,"Invalid WP multiplicities - A6BCD2E_mP44_14_18e_e_e_3e_e:Cl-Mo-N-O-P, expected MoPN(Cl6O)3 to be MoPN(Cl3O)2" +mp-649091,MoPNCl6O,-5.2384455371,-1.1751099158,0.178720391,0.178720391,GGA+U,P2_1/c,A6BCDE_mP80_14_12e_2e_2e_2e_2e:Cl-Mo-N-O-P,80.0,"Invalid WP multiplicities - A6BCDE_mP80_14_48e_6e_5e_4e_6e:Cl-Mo-N-O-P, expected Mo6P6N5(Cl12O)4 to be MoPNCl6O" +mp-1196628,Ca3SiCSO24,-5.4186644938,-0.6344057572,0.9225107202,0.9225107202,GGA,P2_1,AB3C24DE_mP60_4_a_3a_24a_a_a:C-Ca-O-S-Si,60.0,"Invalid WP multiplicities - AB3C24DE_mP60_4_a_6a_45a_a_a:C-Ca-O-S-Si, expected Ca6SiCSO45 to be Ca3SiCSO24" +mp-1199820,Ca3SiCSO25,-5.8047259871,-1.0152275739,0.4914657914,0.4914657914,GGA,P2_1,AB3C25DE_mP62_4_a_3a_25a_a_a:C-Ca-O-S-Si,62.0,"Invalid WP multiplicities - AB3C25DE_mP62_4_a_6a_49a_a_a:C-Ca-O-S-Si, expected Ca6SiCSO49 to be Ca3SiCSO25" +mp-541025,Ca3SiH30CSO25,-5.7968231232,-1.6942619402,0.017212244,0.017212244,GGA,P6_3,AB3C30D25EF_hP122_173_b_c_10c_b8c_b_a:C-Ca-H-O-S-Si,122.0,AB3C30D25EF_hP122_173_b_c_10c_b8c_b_a:C-Ca-H-O-S-Si +mp-1214820,Ca3SiH14CSO10,-5.3361618125,-1.2770856534,0.4847241398,0.4847241398,GGA,P6_3,AB3C14D10EF_hP60_173_b_c_2b4c_a3c_b_a:C-Ca-H-O-S-Si,60.0,AB3C14D10EF_hP60_173_b_c_2b4c_a3c_b_a:C-Ca-H-O-S-Si +mp-24456,SrH2N2O5,-6.4123572035,-1.4242193085,0.0804043639,0.0804043639,GGA,P2_1,A2B2C5D_mP40_4_4a_4a_10a_2a:H-N-O-Sr,40.0,A2B2C5D_mP40_4_4a_4a_10a_2a:H-N-O-Sr +mp-736225,Sr2Re4H16C3(N2O7)3,-7.1027804699,-1.5445854443,0.0211182096,0.0211182096,GGA,P1,A3B16C6D21E4F2_aP104_1_6a_32a_12a_42a_8a_4a:C-H-N-O-Re-Sr,104.0,A3B16C6D21E4F2_oF416_43_ab_8b_3b_a10b_2b_b:C-H-N-O-Re-Sr +mp-745984,Sr2Re4H16C3(N2O7)3,-7.1057228591,-1.5475278335,0.0181758204,0.0181758204,GGA,Fdd2,A3B16C6D21E4F2_oF416_43_ab_8b_3b_a10b_2b_b:C-H-N-O-Re-Sr,104.0,"Invalid WP multiplicities - A3B16C6D21E4F2_oF416_43_2a2b_29b_9b_2a38b_5b_b:C-H-N-O-Re-Sr, expected SrRe5H29C3(N3O13)3 to be Sr2Re4H16C3(N2O7)3" +mp-1095649,Sr2H3NO6,-6.2140245317,-1.9162085122,0.0,-0.003398949,GGA,P-62m,A3BC6D2_hP12_189_g_a_fg_c:H-N-O-Sr,12.0,A3BC6D2_hP12_189_g_a_fg_c:H-N-O-Sr +mp-24646,NaAlBP2H3O10,-7.0652685822,-2.4975372958,0.0036433966,0.0036433966,GGA,C2/c,ABC3DE10F2_mC72_15_c_e_df_e_5f_f:Al-B-H-Na-O-P,36.0,"Invalid WP multiplicities - ABC3DE10F2_mC72_15_a_e_bf_e_6f_f:Al-B-H-Na-O-P, expected NaAlBP2(HO4)3 to be NaAlBP2H3O10" +mp-2713456,Na2YZnP(SO6)2,-6.8426516576,-2.4522447058,0.0649568463,0.0649568463,GGA,Cc,A2B12CD2EF_mC228_9_6a_36a_3a_6a_3a_3a:Na-O-P-S-Y-Zn,114.0,"Invalid WP multiplicities - A2B12CD2EF_mC228_9_6a_60a_3a_9a_3a_3a:Na-O-P-S-Y-Zn, expected Na2YZnPS3O20 to be Na2YZnP(SO6)2" +mp-2713626,Na3Y2Zn2PS5O24,-6.8152558933,-2.3764427518,0.0430038698,0.0430038698,GGA,P1,A3B24CD5E2F2_aP111_1_9a_72a_3a_15a_6a_6a:Na-O-P-S-Y-Zn,111.0,A3B24CD5E2F2_aP111_1_9a_72a_3a_15a_6a_6a:Na-O-P-S-Y-Zn +mp-2714292,Na7Y3Zn(PO4)6,-7.3359204337,-2.9184282845,0.0282135536,0.0282135536,GGA,P1,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-P-Y-Zn,123.0,A7B24C6D3E_aP123_1_21a_72a_18a_9a_3a:Na-O-P-Y-Zn +mp-2712742,Na3YZnP2SO12,-6.9078630233,-2.6070075223,0.0846787874,0.0846787874,GGA,Cc,A3B12C2DEF_mC80_9_3a_12a_2a_a_a_a:Na-O-P-S-Y-Zn,120.0,"Invalid WP multiplicities - A3B12C2DEF_mC80_9_8a_60a_7a_a_a_a:Na-O-P-S-Y-Zn, expected Na8YZnP7SO60 to be Na3YZnP2SO12" +mp-2715991,Na7Y2Zn2P5SO24,-6.9344180076,-2.6750619595,0.0689455027,0.0689455027,GGA,P1,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-S-Y-Zn,123.0,A7B24C5DE2F2_aP123_1_21a_72a_15a_3a_6a_6a:Na-O-P-S-Y-Zn +mp-2714907,Na5Y2Zn2P3(SO8)3,-6.8752460516,-2.5307629207,0.076299396,0.076299396,GGA,P1,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-S-Y-Zn,117.0,A5B24C3D3E2F2_aP117_1_15a_72a_9a_9a_6a_6a:Na-O-P-S-Y-Zn +mp-2715137,Na4YZn(PO4)3,-6.9676495331,-2.7478167735,0.0460203579,0.0460203579,GGA,R3c,A4B12C3DE_hR126_161_ab_4b_b_a_a:Na-O-P-Y-Zn,126.0,"Invalid WP multiplicities - A4B12C3DE_hR126_161_ab_12b_b_a_a:Na-O-P-Y-Zn, expected Na4YZn(PO12)3 to be Na4YZn(PO4)3" +mp-12509,YZnPO,-6.5577155563,-2.0361640709,0.0,-0.0264299618,GGA,R-3m,ABCD_hR24_166_c_c_c_c:O-P-Y-Zn,8.0,ABCD_hR24_166_c_c_c_c:O-P-Y-Zn +mp-756481,Na2FeBPO7,-7.1376789079,-2.3181299868,0.0553455234,0.0553455234,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:B-Fe-Na-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:B-Fe-Na-O-P, expected Na2FeBPO13 to be Na2FeBPO7" +mp-1211025,NaFeBP2O11,-6.918983132,-1.8119756875,0.3523417543,0.3523417543,GGA+U,P6_122,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Fe-Na-O-P,96.0,ABCD11E2_hP96_178_b_b_b_a5c_c:B-Fe-Na-O-P +mp-505478,NaFeBP2H3O10,-7.0809232825,-2.2507228083,0.0024704933,0.0024704933,GGA+U,C2/c,ABC3DE10F2_mC72_15_e_c_df_e_5f_f:B-Fe-H-Na-O-P,36.0,ABC3DE10F2_mC72_15_e_a_bf_e_5f_f:B-Fe-H-Na-O-P +mp-772422,Na6Fe2B4PO16,-6.9721217722,-2.2771878705,0.0501880863,0.0501880863,GGA+U,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:B-Fe-Na-O-P,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_2eg_b:B-Fe-Na-O-P, expected Na6Fe2B4PO20 to be Na6Fe2B4PO16" +mp-756274,Na3FeBPO7,-6.9720877062,-2.4215406026,0.0233223156,0.0233223156,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Na-O-P,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Fe-Na-O-P, expected Na4FeBPO13 to be Na3FeBPO7" +mp-2714344,NaYAlP(SO6)2,-7.3534780808,-2.654531469,0.0686119469,0.0686119469,GGA,P1,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Al-Na-O-P-S-Y,108.0,ABC12DE2F_aP108_1_6a_6a_72a_6a_12a_6a:Al-Na-O-P-S-Y +mp-2714064,NaY2Al2PS5O24,-7.3116220808,-2.5526877924,0.0622281232,0.0622281232,GGA,P1,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Al-Na-O-P-S-Y,105.0,A2BC24DE5F2_aP105_1_6a_3a_72a_3a_15a_6a:Al-Na-O-P-S-Y +mp-2713630,Na2YAlP2SO12,-7.4043891499,-2.8159461528,0.0852446269,0.0852446269,GGA,P1,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-P-S-Y,114.0,AB2C12D2EF_aP114_1_6a_12a_72a_12a_6a_6a:Al-Na-O-P-S-Y +mp-2715125,Na5Y2Al2P5SO24,-7.4173127197,-2.8798713909,0.0723078573,0.0723078573,GGA,P1,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-S-Y,117.0,A2B5C24D5EF2_aP117_1_6a_15a_72a_15a_3a_6a:Al-Na-O-P-S-Y +mp-2713775,Na3Y2Al2P3(SO8)3,-7.3881973749,-2.7459958625,0.0685772808,0.0685772808,GGA,P1,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Al-Na-O-P-S-Y,111.0,A2B3C24D3E3F2_aP111_1_6a_9a_72a_9a_9a_6a:Al-Na-O-P-S-Y +mp-1200863,FeP2NO7,-7.2424929993,-1.5824982605,0.5668518257,0.5668518257,GGA+U,P2_1/c,ABC7D2_mP44_14_e_e_7e_2e:Fe-N-O-P,44.0,ABC7D2_mP44_14_e_e_7e_2e:Fe-N-O-P +mp-1202069,Fe2P2N2Cl2(O2F)3,-6.2340031768,-1.3192220136,0.6876875494,0.6876875494,GGA+U,Pca2_1,A2B3C2D2E6F2_oP68_29_2a_3a_2a_2a_6a_2a:Cl-F-Fe-N-O-P,68.0,A2B3C2D2E6F2_oP68_29_2a_3a_2a_2a_6a_2a:Cl-F-Fe-N-O-P +mp-1201744,Fe2P2NO11,-6.9304374194000005,-1.273142533,0.6196022768,0.6196022768,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-N-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-N-O-P +mp-1202592,Fe2P2NO11,-6.7287585163,-1.0714636299,0.8212811799,0.8212811799,GGA+U,P2_1/c,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-N-O-P,64.0,A2BC11D2_mP64_14_2e_e_11e_2e:Fe-N-O-P +mp-1212772,FePNO4F,-6.7443349516,-1.2545783948,0.8041485618,0.8041485618,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Fe-N-O-P,64.0,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Fe-N-O-P +mp-558146,FeN3ClO3,-6.5513703475,-0.2803567502,0.5373339525,0.5373339525,GGA+U,P6_3mc,ABC3D3_hP16_186_b_b_c_c:Cl-Fe-N-O,16.0,ABC3D3_hP16_186_b_b_c_c:Cl-Fe-N-O +mp-1181403,FeN2Cl5O,-4.1040050583,0.2662597274,0.9551000486,0.9551000486,GGA+U,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-N-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-N-O +mp-1201709,FeN2Cl5O,-4.0713254125,0.2989393732,0.9877796944,0.9877796944,GGA+U,Pnma,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-N-O,36.0,A5BC2D_oP36_62_3cd_c_d_c:Cl-Fe-N-O +mp-1196342,Fe4P2N3O8F9,-6.2619203294,-1.3968051361,0.7765271393000001,0.7765271393000001,GGA+U,P2_1/m,A9B4C3D8E2_mP52_11_3e3f_2ef_ef_4f_f:F-Fe-N-O-P,52.0,A9B4C3D8E2_mP52_11_3e3f_2ef_ef_4f_f:F-Fe-N-O-P +mp-554472,PNClF,-5.882770015,-1.5053167502,0.0084267205,0.0084267205,GGA,Cmc2_1,ABCD_oC48_36_ab_ab_ab_ab:Cl-F-N-P,24.0,"Invalid WP multiplicities - ABCD_oC48_36_2a2b_a2b_2a2b_2ab:Cl-F-N-P, expected P4N6Cl6F5 to be PNClF" +mp-707443,Na7AlH2C4(O3F)4,-6.44492968,-2.3212781017,0.0,-0.0171234657,GGA,P-1,AB4C4D2E7F12_aP30_2_a_2i_2i_i_cde2i_6i:Al-C-F-H-Na-O,30.0,AB4C4D2E7F12_aP30_2_a_2i_2i_i_cde2i_6i:Al-C-F-H-Na-O +mp-561162,CoBH18Br2(N3F2)2,-5.2439414934,-1.0055752291,0.0205201658,0.0205201658,GGA+U,P2_1/c,AB2CD4E18F6_mP128_14_e_2e_ad_4e_18e_6e:B-Br-Co-F-H-N,128.0,"Invalid WP multiplicities - AB2CD4E18F6_mP128_14_e_7e_2a2d_15e_69e_22e:B-Br-Co-F-H-N, expected Co2BH69Br7N22F15 to be CoBH18Br2(N3F2)2" +mp-1247292,Ga2NiN3,-6.2853093842,-0.1443404675,0.3067803381,0.3067803381,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Ga-N-Ni,12.0,A2B3C_oC24_36_b_ab_a:Ga-N-Ni +mp-23783,Ga2NiP3H8NO14,-6.4860079433,-1.9064154782,0.0045214723,0.0045214723,GGA+U,C2/c,A2B8CDE14F3_mC116_15_f_4f_e_e_7f_ef:Ga-H-N-Ni-O-P,58.0,"Invalid WP multiplicities - A2B8CDE14F3_mC116_15_f_4f_e_e_16f_e2f:Ga-H-N-Ni-O-P, expected Ga2NiP5H8NO32 to be Ga2NiP3H8NO14" +mp-1196697,SiH6C4N5F6,-6.1587788517,-0.8929750017,0.421962277,0.421962277,GGA,P2_1/c,A4B6C6D5E_mP88_14_4e_6e_6e_5e_e:C-F-H-N-Si,88.0,A4B6C6D5E_mP88_14_4e_6e_6e_5e_e:C-F-H-N-Si +mp-1213451,Cu2Si3H24C8(N10F9)2,-6.2984292396,-1.2202207547,0.0155891142,0.0155891142,GGA,P-1,A8B2C18D24E20F3_aP75_2_4i_i_9i_12i_10i_ai:C-Cu-F-H-N-Si,75.0,A8B2C18D24E20F3_aP75_2_4i_i_9i_12i_10i_ai:C-Cu-F-H-N-Si +mp-1219313,SiH8C4F3,-5.2415902256,-0.5405761467,0.4391088061,0.4391088061,GGA,P2_1,A4B3C8D_mP32_4_4a_3a_8a_a:C-F-H-Si,32.0,A4B3C8D_mP32_4_4a_3a_8a_a:C-F-H-Si +mp-1199180,SiH12C2(NF3)2,-5.3857733341,-1.3537200641,0.0348880505,0.0348880505,GGA,C2/c,A2B6C12D2E_mC92_15_f_2e2f_6f_f_e:C-F-H-N-Si,46.0,A2B6C12D2E_mC92_15_f_2e2f_6f_f_e:C-F-H-N-Si +mp-556298,SiH12C2(NF3)2,-5.389322932,-1.357269662,0.0313384527,0.0313384527,GGA,Pnnm,A2B6C12D2E_oP46_58_g_gh_2g2h_g_a:C-F-H-N-Si,46.0,"Invalid WP multiplicities - A2B6C12D2E_oP46_58_g_3g3h_7g8h_g_a:C-F-H-N-Si, expected SiH46C2(NF9)2 to be SiH12C2(NF3)2" +mp-1173435,SiH27C10N3F2,-5.4222980345,-0.3490882931,0.1525533334,0.1525533334,GGA,P6_3,A10B2C27D3E_hP86_173_a3c_2b_9c_c_b:C-F-H-N-Si,86.0,A10B2C27D3E_hP86_173_a3c_2b_9c_c_b:C-F-H-N-Si +mp-1203262,SiH12C4(N5F3)2,-6.4008549397,-1.0103544671,0.042929105,0.042929105,GGA,P-1,A4B6C12D10E_aP33_2_2i_3i_6i_5i_a:C-F-H-N-Si,33.0,A4B6C12D10E_aP33_2_2i_3i_6i_5i_a:C-F-H-N-Si +mp-697253,SiH12C2(NF)6,-5.9474162822,-1.2776679522,0.0,-0.0135066348,GGA,C2/m,A2B6C12D6E_mC54_12_i_ij_3j_ij_a:C-F-H-N-Si,27.0,A2B6C12D6E_mC54_12_i_ij_3j_ij_a:C-F-H-N-Si +mp-1208996,SiC2(NF)6,-5.876917812,-0.185551654,1.3364191649,1.3364191649,GGA,Cm,A2B6C6D_mC30_8_2a_2a2b_2a2b_a:C-F-N-Si,15.0,"Invalid WP multiplicities - A2B6C6D_mC30_12_i_ij_2i2j_a:C-F-N-Si, expected SiC2(N2F)6 to be SiC2(NF)6" +mp-1208917,SiC2(NF)6,-5.8758990220000005,-0.184532864,1.3374379549,1.3374379549,GGA,C2/m,A2B6C6D_mC30_12_i_ij_ij_a:C-F-N-Si,15.0,A2B6C6D_mC30_12_i_ij_ij_a:C-F-N-Si +mp-23750,SiH9C4F3,-5.2700834385,-0.6460274793,0.2947332777,0.2947332777,GGA,P2_1/m,A4B3C9D_mP34_11_2ef_ef_e4f_e:C-F-H-Si,34.0,A4B3C9D_mP34_11_2ef_ef_e4f_e:C-F-H-Si +mp-1199716,SiH8C(N2F3)2,-5.8132482433,-1.4827159739,0.054810737,0.054810737,GGA,Pccn,AB6C8D4E_oP160_56_e_6e_8e_4e_e:C-F-H-N-Si,160.0,AB6C8D4E_oP160_56_e_6e_8e_4e_e:C-F-H-N-Si +mp-1200724,Mg2P2H28C(ClO10)2,-5.5240183568,-1.5079636766,0.0710195918,0.0710195918,GGA,P2_1/m,AB2C28D2E20F2_mP220_11_2e_4e_28f_2ef_2e19f_2f:C-Cl-H-Mg-O-P,220.0,AB2C28D2E20F2_mP220_11_2e_4e_28f_2ef_2e19f_2f:C-Cl-H-Mg-O-P +mp-1214292,Ca2FeP3H4O13,-7.1123498748,-2.4776113567,0.0061542987,0.0061542987,GGA+U,C2/c,A2BC4D13E3_mC92_15_f_c_2f_e6f_ef:Ca-Fe-H-O-P,,A2BC4D13E3_mC92_15_f_a_2f_e6f_ef:Ca-Fe-H-O-P +mp-1214156,Ca2FeP2(H2O5)2,-6.9915006658,-2.4469944934,0.0025438556,0.0025438556,GGA+U,P-1,A2BC4D10E2_aP19_2_i_a_2i_5i_i:Ca-Fe-H-O-P,19.0,A2BC4D10E2_aP19_2_i_a_2i_5i_i:Ca-Fe-H-O-P +mp-728240,CaFe2P3HO12,-7.6537990536,-2.4991390325,0.0088969595,0.0088969595,GGA+U,P2_1/c,AB2CD12E3_mP76_14_e_2e_e_12e_3e:Ca-Fe-H-O-P,76.0,AB2CD12E3_mP76_14_e_2e_e_12e_3e:Ca-Fe-H-O-P +mp-1199046,CaFeBP2(HO5)2,-7.4732571574,-2.5183185058,0.0,-0.0052739411,GGA+U,C2/c,ABCD2E10F2_mC68_15_e_e_c_f_5f_f:B-Ca-Fe-H-O-P,34.0,ABCD2E10F2_mC68_15_e_e_a_f_5f_f:B-Ca-Fe-H-O-P +mp-1197792,CaFe3P3H2O13,-7.5792584954,-2.3634413878,0.0146811126,0.0146811126,GGA+U,Pbca,AB3C2D13E3_oP176_61_c_3c_2c_13c_3c:Ca-Fe-H-O-P,176.0,AB3C2D13E3_oP176_61_c_3c_2c_13c_3c:Ca-Fe-H-O-P +mp-1200109,CaFe2P2HO9,-7.6622025628,-2.4831911122,0.0,-0.0033252217,GGA+U,Pbam,AB2CD9E2_oP60_55_h_eg_g_3g2h2i_gh:Ca-Fe-H-O-P,60.0,AB2CD9E2_oP60_55_h_eg_g_3g2h2i_gh:Ca-Fe-H-O-P +mp-780739,Ca2FeP2(H2O3)4,-6.560343645,-2.1679476899,0.0013944203,0.0013944203,GGA+U,P-1,A2BC8D12E2_aP25_2_i_a_4i_6i_i:Ca-Fe-H-O-P,100.0,A2BC8D12E2_aP25_2_i_a_4i_6i_i:Ca-Fe-H-O-P +mp-706305,P6H26N7ClO19,-5.9504741442,-1.2914609432,0.1811444956,0.1811444956,GGA,P-1,AB26C7D19E6_aP118_2_i_26i_bd6i_19i_6i:Cl-H-N-O-P,118.0,AB26C7D19E6_aP118_2_i_26i_bd6i_19i_6i:Cl-H-N-O-P +mp-604773,Mo8P9H56N12ClO56,-6.4661155465,-1.5057026906000002,0.0418266578,0.0418266578,GGA+U,P-4,AB56C8D12E56F9_tP142_81_a_14h_2h_ef2h_2g13h_c2h:Cl-H-Mo-N-O-P,142.0,"Invalid WP multiplicities - AB56C8D12E56F9_tP142_81_a_51h_6h_2e2f7h_4g49h_c7h:Cl-H-Mo-N-O-P, expected Mo24P29H204N36ClO204 to be Mo8P9H56N12ClO56" +mp-707469,P5H5N6(Cl4O)2,-5.588554459,-1.0219858817,0.0207419941,0.0207419941,GGA,P-1,A8B5C6D2E5_aP52_2_8i_5i_6i_2i_5i:Cl-H-N-O-P,52.0,A8B5C6D2E5_aP52_2_8i_5i_6i_2i_5i:Cl-H-N-O-P +mp-707735,MgH12(I4O3)2,-4.2369517522,-1.1339867279,0.0,-0.1113734037,GGA,P-1,A12B8CD6_aP27_2_6i_4i_a_3i:H-I-Mg-O,27.0,A12B8CD6_aP27_2_6i_4i_a_3i:H-I-Mg-O +mp-1202346,MgH16(IO8)2,-5.1680779203,-1.2258593817,0.0164833968,0.0164833968,GGA,P2_1/c,A16B2CD16_mP70_14_8e_e_a_8e:H-I-Mg-O,70.0,A16B2CD16_mP70_14_8e_e_a_8e:H-I-Mg-O +mp-1294897,KMnIO6,-6.0633174889,-1.4604382826,0.0064298339,-0.0719415619,GGA+U,C2,ABCD6_mC72_5_abc_2c_abc_12c:I-K-Mn-O,36.0,"Invalid WP multiplicities - ABCD6_mC72_5_ab2c_3c_ab2c_23c:I-K-Mn-O, expected K3Mn3I3O23 to be KMnIO6" +mp-1205906,KMnIO6,-6.0697473228,-1.4668681165000002,0.0,-0.0783713958,GGA+U,P312,ABCD6_hP9_149_a_d_e_l:I-K-Mn-O,18.0,ABCD6_hP9_149_a_d_e_l:I-K-Mn-O +mp-24566,MgH8(IO5)2,-5.1911150952,-1.3265575608,0.0114114393,0.0114114393,GGA,P2_1/c,A8B2CD10_mP42_14_4e_e_a_5e:H-I-Mg-O,42.0,"Invalid WP multiplicities - A8B2CD10_mP42_14_5e_e_a_6e:H-I-Mg-O, expected MgH10(IO6)2 to be MgH8(IO5)2" +mp-1200673,MgH18I2O9,-4.9816094221,-1.31040009,0.0,-0.0005195838,GGA,P2_1/c,A18B2CD9_mP120_14_18e_2e_e_9e:H-I-Mg-O,120.0,A18B2CD9_mP120_14_18e_2e_e_9e:H-I-Mg-O +mp-1223747,K2MnH4(I2O7)2,-5.292777326,-1.2887443371,0.0,-0.0049929685,GGA+U,C2,A4B4C2DE14_mC50_5_2c_2c_2b_a_2a6c:H-I-K-Mn-O,50.0,A4B4C2DE14_mC50_5_2c_2c_2b_a_2a6c:H-I-K-Mn-O +mp-1233498,K2MgMnH4(I2O7)2,-5.2641147123,-1.3525337595,0.0949096128,0.0949096128,GGA+U,P1,A4B4C2DEF14_aP26_1_4a_4a_2a_a_a_14a:H-I-K-Mg-Mn-O,26.0,A4B4C2DEF14_aP26_1_4a_4a_2a_a_a_14a:H-I-K-Mg-Mn-O +mp-1223767,K2MgH4(I2O7)2,-5.0759316756,-1.3743680963,0.0,-0.0058668291,GGA,C2,A4B4C2DE14_mC50_5_2c_2c_2b_a_2a6c:H-I-K-Mg-O,25.0,A4B4C2DE14_mC50_5_2c_2c_2b_a_2a6c:H-I-K-Mg-O +mp-1203034,MgH16(IO4)2,-4.9575700846,-1.312972338,0.0,-0.0021129183,GGA,Cmce,A16B2CD8_oC108_64_2f3g_f_a_de2f:H-I-Mg-O,54.0,A16B2CD8_oC108_64_2f3g_f_a_de2f:H-I-Mg-O +mp-1211832,K2MnI4,-3.7713260886,-1.3032862906,0.0,-0.0113396014,GGA,P2_1/m,A4B2C_mP14_11_2ef_2e_e:I-K-Mn,14.0,A4B2C_mP14_11_2ef_2e_e:I-K-Mn +mp-866806,TbAgH2C2SO9,-7.0110097594,-1.925612669,0.0503765895,0.0503765895,GGA,C2/m,AB2C2D9EF_mC64_12_i_gi_2i_5i2j_i_i:Ag-C-H-O-S-Tb,32.0,AB2C2D9EF_mC64_12_i_gi_2i_5i2j_i_i:Ag-C-H-O-S-Tb +mp-1224736,MgNiB2P2(H3O4)4,-6.4013904117,-1.9476981409,0.0010720532,0.0010720532,GGA+U,R32,A2B12CDE16F2_hR306_155_de_6f_d_e_8f_de:B-H-Mg-Ni-O-P,102.0,"Invalid WP multiplicities - A2B12CDE16F2_hR306_155_de_9f_d_e_12f_de:B-H-Mg-Ni-O-P, expected MgNiB2P2(H3O4)6 to be MgNiB2P2(H3O4)4" +mp-744814,RbFeP2(HO4)2,-7.0257646829,-2.2660416774,0.0007401923,0.0007401923,GGA+U,R-3c,AB2C8D2E_hR252_167_bc_f_4f_f_ac:Fe-H-O-P-Rb,84.0,AB2C8D2E_hR252_167_bc_f_4f_f_ac:Fe-H-O-P-Rb +mp-1205043,Rb7Fe7P8(HO9)4,-7.1693082608,-2.3126630218,0.0,-0.0013182379,GGA+U,P2_1/c,A7B4C36D8E7_mP124_14_a3e_2e_18e_4e_b3e:Fe-H-O-P-Rb,124.0,A7B4C36D8E7_mP124_14_a3e_2e_18e_4e_d3e:Fe-H-O-P-Rb +mp-24648,RbFeBP2HO9,-7.4603556127,-2.4690571785,0.0,-0.0069203814,GGA+U,P2_1/c,ABCD9E2F_mP60_14_e_e_e_9e_2e_e:B-Fe-H-O-P-Rb,60.0,"Invalid WP multiplicities - ABCD9E2F_mP60_14_e_e_e_12e_2e_e:B-Fe-H-O-P-Rb, expected RbFeBP2HO12 to be RbFeBP2HO9" +mp-605302,DyH6C6Cl3(O3F2)3,-6.2291445587,-1.6526988087,0.1971266229,0.1971266229,GGA,P2_1/c,A6B3CD6E6F9_mP124_14_6e_3e_e_6e_6e_9e:C-Cl-Dy-F-H-O,124.0,A6B3CD6E6F9_mP124_14_6e_3e_e_6e_6e_9e:C-Cl-Dy-F-H-O +mp-683598,PWC5Br3O5,-7.0486059463,-0.78812003,0.5541494484,0.5541494484,GGA+U,P2_1/c,A3B5C5DE_mP60_14_3e_5e_5e_e_e:Br-C-O-P-W,60.0,"Invalid WP multiplicities - A3B5C5DE_mP60_14_8e_16e_17e_e_e:Br-C-O-P-W, expected PWC16Br8O17 to be PWC5Br3O5" +mp-704755,Fe3PWC15BrO15,-7.7868914718,-0.6212015342,0.7050474732,0.7050474732,GGA+U,P2_1/c,AB15C3D15EF_mP144_14_e_15e_3e_15e_e_e:Br-C-Fe-O-P-W,144.0,"Invalid WP multiplicities - AB15C3D15EF_mP144_14_e_58e_9e_58e_e_e:Br-C-Fe-O-P-W, expected Fe9PWC58BrO58 to be Fe3PWC15BrO15" +mp-1200546,KNaH12CO9,-5.5138027358,-1.4765318744,0.0098007763,0.0098007763,GGA,P2_1/c,AB12CDE9_mP96_14_e_12e_e_e_9e:C-H-K-Na-O,96.0,AB12CDE9_mP96_14_e_12e_e_e_9e:C-H-K-Na-O +mp-505771,K2NaH5(CO4)2,-6.1213485981,-1.7581378154,0.0,-0.002230448,GGA,Pnma,A2B5C2DE8_oP72_62_2c_c2d_d_c_6cd:C-H-K-Na-O,72.0,A2B5C2DE8_oP72_62_2c_c2d_d_c_6cd:C-H-K-Na-O +mp-766427,K2NaZn2H5(C2O7)2,-6.4135759125,-1.7994778925,0.0,-0.0023612623,GGA,P2_1/c,A4B5C2DE14F2_mP56_14_2e_a2e_e_d_7e_e:C-H-K-Na-O-Zn,56.0,"Invalid WP multiplicities - A4B5C2DE14F2_mP56_14_5e_2a6e_e_d_25e_e:C-H-K-Na-O-Zn, expected K2NaZn2H14(CO5)10 to be K2NaZn2H5(C2O7)2" +mp-1202473,Ga2Sb2H16C4S7N2,-5.0123258447,-0.4323072952,0.0214773765,0.0214773765,GGA,P2_1/c,A4B2C16D2E7F2_mP132_14_4e_2e_16e_2e_7e_2e:C-Ga-H-N-S-Sb,132.0,A4B2C16D2E7F2_mP132_14_4e_2e_16e_2e_7e_2e:C-Ga-H-N-S-Sb +mp-1204631,BaP6H16(N2O9)2,-6.4921449892,-1.8017275847,0.0068745488,0.0068745488,GGA,P31c,AB16C4D18E6_hP90_159_b_b5c_bc_6c_2c:Ba-H-N-O-P,90.0,AB16C4D18E6_hP90_159_b_b5c_bc_6c_2c:Ba-H-N-O-P +mp-866302,BaNaP3H3(NO2)3,-6.914449215,-1.9527313955,0.0,-0.0122423935,GGA,C2/m,AB3C3DE6F3_mC68_12_i_ij_ij_g_2i2j_ij:Ba-H-N-Na-O-P,34.0,AB3C3DE6F3_mC68_12_i_ij_ij_g_2i2j_ij:Ba-H-N-Na-O-P +mp-1019524,Ba3P6(N4O3)2,-7.7403559248,-1.8877980323,0.0,-0.0551961523,GGA,P-3,A3B8C6D6_hP23_147_ad_dg_g_g:Ba-N-O-P,23.0,A3B8C6D6_hP23_147_ad_dg_g_g:Ba-N-O-P +mp-1215026,BaP3HNO9,-6.9794511317,-2.0188976762,0.4949428871,0.4949428871,GGA,P2_1/c,ABCD9E3_mP60_14_e_e_e_9e_3e:Ba-H-N-O-P,60.0,ABCD9E3_mP60_14_e_e_e_9e_3e:Ba-H-N-O-P +mp-1236856,BaP3HNO9,-6.948581579,-1.9880281236,0.5258124398,0.5258124398,GGA,P2_1/c,ABCD9E3_mP60_14_e_e_e_9e_3e:Ba-H-N-O-P,60.0,ABCD9E3_mP60_14_e_e_e_9e_3e:Ba-H-N-O-P +mp-726673,BaP3NO10,-7.0926769057,-2.0285259392,0.4490552608,0.4490552608,GGA,P2_1/c,ABC10D3_mP60_14_e_e_10e_3e:Ba-N-O-P,60.0,ABC10D3_mP60_14_e_e_10e_3e:Ba-N-O-P +mp-1202402,BaP3NO11,-7.4007306966,-2.343921121,0.028397038,0.028397038,GGA,P2_1/c,ABC11D3_mP64_14_e_e_11e_3e:Ba-N-O-P,64.0,ABC11D3_mP64_14_e_e_11e_3e:Ba-N-O-P +mp-1203595,ZnH8N2(OF2)2,-4.9605043988,-1.2773376275,0.1872317528,0.1872317528,GGA,P2_1/c,A4B8C2D2E_mP34_14_2e_4e_e_e_a:F-H-N-O-Zn,34.0,A4B8C2D2E_mP34_14_2e_4e_e_e_a:F-H-N-O-Zn +mp-23768,AlZnH4O2F5,-5.3055915158,-2.3804379865,0.0028547342,0.0028547342,GGA,Imma,AB5C4D2E_oI52_74_c_ej_j_h_a:Al-F-H-O-Zn,26.0,"Invalid WP multiplicities - AB5C4D2E_oI52_74_c_e2j_j_h_a:Al-F-H-O-Zn, expected AlZnH4O2F9 to be AlZnH4O2F5" +mp-1193110,AlZnH4O2F5,-5.1953705223,-2.2702169931,0.1130757277,0.1130757277,GGA,Imma,AB5C4D2E_oI52_74_c_ej_j_h_a:Al-F-H-O-Zn,26.0,AB5C4D2E_oI52_74_c_ej_j_h_a:Al-F-H-O-Zn +mp-773079,AlZnH16N(OF)6,-5.2117043063,-1.7028514948,0.0031926106,0.0031926106,GGA,P2_1/c,AB6C16DE6F_mP124_14_ab_6e_16e_e_6e_e:Al-F-H-N-O-Zn,124.0,"Invalid WP multiplicities - AB6C16DE6F_mP124_14_ad_17e_61e_e_19e_e:Al-F-H-N-O-Zn, expected AlZnH61NO19F17 to be AlZnH16N(OF)6" +mp-1229294,AlZnH10O7F5,-5.2132410715,-1.7500412504,0.021679231,0.021679231,GGA,P-1,AB5C10D7E_aP48_2_bc_5i_10i_7i_dh:Al-F-H-O-Zn,48.0,"Invalid WP multiplicities - AB5C10D7E_aP48_2_bc_9i_20i_9i_dh:Al-F-H-O-Zn, expected AlZnH20(OF)9 to be AlZnH10O7F5" +mp-560243,Np2H12SO14,-6.7101162612,-1.8825864775,0.0,-0.0008634857,GGA,P2_1/c,A12B2C14D_mP116_14_12e_2e_14e_e:H-Np-O-S,116.0,"Invalid WP multiplicities - A12B2C14D_mP116_14_45e_5e_56e_e:H-Np-O-S, expected Np5H45SO56 to be Np2H12SO14" +mp-1199989,K3NaNp4H4(S2O13)2,-7.5823360923,-2.4591110685,0.0,-0.0178442477,GGA,C2/c,A4B3CD4E26F4_mC168_15_2f_af_e_2f_13f_2f:H-K-Na-Np-O-S,84.0,A4B3CD4E26F4_mC168_15_2f_cf_e_2f_13f_2f:H-K-Na-Np-O-S +mp-1204429,K11Np2H9(S5O22)2,-6.434463848,-2.1231048461,0.0,-0.0138940211,GGA,P2_1/c,A9B11C2D44E10_mP152_14_a4e_b5e_e_22e_5e:H-K-Np-O-S,152.0,A9B11C2D44E10_mP152_14_a4e_d5e_e_22e_5e:H-K-Np-O-S +mp-1173805,Na6Np2H10S4O25,-6.4770657762,-2.0521511204,0.0217279441,0.0217279441,GGA,P1,A10B6C2D25E4_aP47_1_10a_6a_2a_25a_4a:H-Na-Np-O-S,47.0,A10B6C2D25E4_aP47_1_10a_6a_2a_25a_4a:H-Na-Np-O-S +mp-555094,PrPH5CO7,-6.7292983677,-1.9950767038,0.1133014085,0.1133014085,GGA,P-1,AB5C7DE_aP30_2_i_5i_7i_i_i:C-H-O-P-Pr,30.0,"Invalid WP multiplicities - AB5C7DE_aP30_2_i_8i_12i_i_i:C-H-O-P-Pr, expected PrPH8CO12 to be PrPH5CO7" +mp-767717,NaPrPCO7,-7.6289497464,-2.5951115621,0.0998049373,0.0998049373,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Pr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Pr, expected NaPrPCO13 to be NaPrPCO7" +mp-1190971,PrP2H2CO6,-7.255063189999999,-2.1465831385,0.2347971977,0.2347971977,GGA,C2/m,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Pr,24.0,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Pr +mp-1199704,NaPrP2H4CO7,-6.7742119895,-2.12693532,0.0707604591,0.0707604591,GGA,P2_1/c,AB4CD7E2F_mP64_14_e_4e_e_7e_2e_e:C-H-Na-O-P-Pr,64.0,AB4CD7E2F_mP64_14_e_4e_e_7e_2e_e:C-H-Na-O-P-Pr +mp-1210844,Na3Pr(PO4)2,-7.1603255156,-2.9354257771,0.0,-0.014608556,GGA,Pca2_1,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Pr,112.0,A3B8C2D_oP112_29_6a_16a_4a_2a:Na-O-P-Pr +mp-1210097,NaPr(CO3)2,-7.950439186,-2.5263497559,0.0,-0.1727242727,GGA,Pmc2_1,A2BC6D_oP20_26_ab_a_ab2c_b:C-Na-O-Pr,20.0,A2BC6D_oP20_26_ab_a_ab2c_b:C-Na-O-Pr +mp-9006,Ho2CF2,-7.052530508,-2.6092422745,0.0,-0.080535869,GGA,P-3m1,AB2C2_hP5_164_a_d_d:C-F-Ho,5.0,AB2C2_hP5_164_a_d_d:C-F-Ho +mp-1212225,HoH12C2O4F,-5.01001473,-0.7374804196,0.5770685602,0.5770685602,GGA,C2/c,A2BC12DE4_mC80_15_f_a_6f_e_2f:C-F-H-Ho-O,40.0,A2BC12DE4_mC80_15_f_a_6f_e_2f:C-F-H-Ho-O +mp-976713,HoH2ClO2,-6.2811895125,-2.4295603388,0.0,-0.0317636138,GGA,P2_1/m,AB2CD2_mP12_11_e_2e_e_2e:Cl-H-Ho-O,12.0,"Invalid WP multiplicities - AB2CD2_mP12_11_e_3e_e_3e:Cl-H-Ho-O, expected HoH3ClO3 to be HoH2ClO2" +mp-1204761,HoH6C6Cl3(O3F2)3,-6.224783079,-1.6491237151,0.2003522242,0.2003522242,GGA,P2_1/c,A6B3C6D6EF9_mP124_14_6e_3e_6e_6e_e_9e:C-Cl-F-H-Ho-O,124.0,A6B3C6D6EF9_mP124_14_6e_3e_6e_6e_e_9e:C-Cl-F-H-Ho-O +mp-1200731,HoH8C2O8F,-6.3443833935,-1.7610565499000002,0.0565131199,0.0565131199,GGA,C2/c,A2BC8DE8_mC80_15_f_a_4f_e_4f:C-F-H-Ho-O,40.0,A2BC8DE8_mC80_15_f_a_4f_e_4f:C-F-H-Ho-O +mp-532755,K4MgFe3(PO4)5,-7.3321873832,-2.5609078006,0.0,-0.0018151173,GGA+U,Cc,A3B4CD20E5_mC132_9_3a_4a_a_20a_5a:Fe-K-Mg-O-P,66.0,"Invalid WP multiplicities - A3B4CD20E5_mC132_9_6a_8a_a_40a_10a:Fe-K-Mg-O-P, expected K8MgFe6(PO4)10 to be K4MgFe3(PO4)5" +mp-6834,KFePO4F,-6.9261484998,-2.3396539403,0.2002102228,0.2002102228,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Fe-K-O-P,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_2a_2a_3a_12a_2a:F-Fe-K-O-P, expected K3Fe2P2(O6F)2 to be KFePO4F" +mp-1223661,KMgFe(PO4)2,-7.3974718977,-2.6604861354,0.0091278156,0.005648095,GGA+U,Cc,ABCD8E2_mC52_9_a_a_a_8a_2a:Fe-K-Mg-O-P,26.0,"Invalid WP multiplicities - ABCD8E2_mC52_9_a_a_a_12a_3a:Fe-K-Mg-O-P, expected KMgFe(PO4)3 to be KMgFe(PO4)2" +mp-1194865,KMgFe(PO4)2,-7.4065997133,-2.6696139509,0.0,-0.0034797206,GGA+U,P2_1/c,ABCD8E2_mP52_14_e_e_e_8e_2e:Fe-K-Mg-O-P,52.0,ABCD8E2_mP52_14_e_e_e_8e_2e:Fe-K-Mg-O-P +mp-1233586,K2MgFe4P6(O4F3)4,-6.8786643251,-2.6770607931,0.0583753406,0.0583753406,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1233950,K2MgFe4P6(O4F3)4,-6.8817492605,-2.6801457284,0.0552904053,0.0552904053,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1233972,K2MgFe4P6(O4F3)4,-6.8840085402,-2.6824050082,0.0530311255,0.0530311255,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1234357,K2MgFe4P6(O4F3)4,-6.8806230107,-2.6790194787,0.056416655,0.056416655,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1234362,K2MgFe4P6(O4F3)4,-6.8821503359000005,-2.6805468038,0.0548893299,0.0548893299,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1234423,K2MgFe4P6(O4F3)4,-6.884811321,-2.6832077889,0.0522283448,0.0522283448,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1234508,K2MgFe4P6(O4F3)4,-6.8815434115,-2.6799398794,0.0554962543,0.0554962543,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1234647,K2MgFe4P6(O4F3)4,-6.881161392,-2.6795578599,0.0558782738,0.0558782738,GGA+U,P1,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_1_12a_4a_2a_a_16a_6a:F-Fe-K-Mg-O-P +mp-1233328,K2MgFe4P6(O4F3)4,-6.9274255351,-2.7258220031,0.0096141306,0.0096141306,GGA+U,P-1,A12B4C2DE16F6_aP41_2_6i_bdi_i_a_8i_3i:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_2_6i_bdi_i_a_8i_3i:F-Fe-K-Mg-O-P +mp-1233397,K2MgFe4P6(O4F3)4,-6.8470706649,-2.6454671328,0.0899690009,0.0899690009,GGA+U,P-1,A12B4C2DE16F6_aP41_2_6i_cfi_i_a_8i_3i:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_2_6i_cfi_i_a_8i_3i:F-Fe-K-Mg-O-P +mp-1233873,K2MgFe4P6(O4F3)4,-6.8376013529,-2.6359978209,0.0994383128,0.0994383128,GGA+U,P-1,A12B4C2DE16F6_aP41_2_6i_bei_i_a_8i_3i:F-Fe-K-Mg-O-P,41.0,A12B4C2DE16F6_aP41_2_6i_bei_i_a_8i_3i:F-Fe-K-Mg-O-P +mp-1205183,KFe2P3(O4F3)2,-6.9315092348,-2.6648726156,0.0,-0.0035156567,GGA+U,P-1,A6B2CD8E3_aP40_2_6i_bei_i_8i_3i:F-Fe-K-O-P,40.0,A6B2CD8E3_aP40_2_6i_bei_i_8i_3i:F-Fe-K-O-P +mp-651601,K2Fe2P2O7F2,-6.8534779912,-2.2909963751,0.2655726982,0.2655726982,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_ac_d_c3d_d:F-Fe-K-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_d_2a2c_d_3c16d_d:F-Fe-K-O-P, expected K2Fe4P2O35F2 to be K2Fe2P2O7F2" +mp-1181859,K2Fe2P2O7F2,-6.7749016028,-2.2124199868,0.3441490865,0.3441490865,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_ac_d_c3d_d:F-Fe-K-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_d_2a2c_d_3c16d_d:F-Fe-K-O-P, expected K2Fe4P2O35F2 to be K2Fe2P2O7F2" +mp-1182723,K2Fe2P2O7F2,-7.0458036122,-2.4833219961,0.0732470772,0.0732470772,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_ac_d_c3d_d:F-Fe-K-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_d_2a2c_d_3c16d_d:F-Fe-K-O-P, expected K2Fe4P2O35F2 to be K2Fe2P2O7F2" +mp-1205435,K2Fe2P2O7F2,-7.0014104318,-2.4389288158,0.1176402575,0.1176402575,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_ac_d_c3d_d:F-Fe-K-O-P,60.0,A2B2C2D7E2_oP60_60_d_ac_d_c3d_d:F-Fe-K-O-P +mp-1032067,Mg6CoBO8,-6.4156553681,-2.4804741459,0.3862691941,0.3862691941,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Co-Mg-O, expected Mg6CoBO12 to be Mg6CoBO8" +mp-1032059,Mg6CoBO8,-6.3184773206,-2.3832960984,0.4834472416,0.4834472416,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Co-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Co-Mg-O, expected Mg6CoBO12 to be Mg6CoBO8" +mp-2217796,MgCo2(BO3)2,-7.5868935645,-2.2363634328,0.2999091498,0.2999091498,GGA+U,P1,A2B2CD6_aP11_1_2a_2a_a_6a:B-Co-Mg-O,11.0,A2B2CD6_aP11_1_2a_2a_a_6a:B-Co-Mg-O +mp-1223058,Mg3CoB8P8(H8O13)4,-6.6536639631,-2.0916855151,0.0149475934,0.0149475934,GGA+U,P1,A8BC32D3E52F8_aP104_1_8a_a_32a_3a_52a_8a:B-Co-H-Mg-O-P,104.0,A8BC32D3E52F8_aP104_1_8a_a_32a_3a_52a_8a:B-Co-H-Mg-O-P +mp-1036995,Mg30CoBO32,-6.3481783898,-2.9092697988,0.0979462607,0.0979462607,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Co-Mg-O, expected Mg90CoBO80 to be Mg30CoBO32" +mp-1036968,Mg30CoBO32,-6.3324969967,-2.8935884057,0.1136276538,0.1136276538,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Co-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Co-Mg-O, expected Mg110CoBO72 to be Mg30CoBO32" +mp-1234270,MgCo12(BO5)4,-7.4371900814,-1.6925567057,0.2961460542,0.2961460542,GGA+U,Pm,A4B12CD20_mP37_6_4a_6a6b_b_12a8b:B-Co-Mg-O,37.0,A4B12CD20_mP37_6_4a_6a6b_b_12a8b:B-Co-Mg-O +mp-1035075,Mg14CoBO16,-6.3767150653,-2.7723822639,0.1880095558,0.1880095558,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Co-Mg-O, expected Mg18CoBO20 to be Mg14CoBO16" +mp-1035053,Mg14CoBO16,-6.3304182388,-2.7260854373,0.2343063824,0.2343063824,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Co-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Co-Mg-O, expected Mg30CoBO32 to be Mg14CoBO16" +mp-1204757,CsAlV(PO5)2,-7.5206500428,-2.5860916163,0.1042905168,0.1042905168,GGA+U,P2_1/c,ABC10D2E_mP60_14_e_e_10e_2e_e:Al-Cs-O-P-V,60.0,ABC10D2E_mP60_14_e_e_10e_2e_e:Al-Cs-O-P-V +mp-1195968,CsAlVP2(HO5)2,-7.3156319153,-2.5624655337,0.0152568935,0.0152568935,GGA+U,P2_1/c,ABC2D10E2F_mP68_14_e_e_2e_10e_2e_e:Al-Cs-H-O-P-V,68.0,ABC2D10E2F_mP68_14_e_e_2e_10e_2e_e:Al-Cs-H-O-P-V +mp-1197494,CsVP3HO10,-7.5364725642,-2.5940457442,0.0,-0.0169184767,GGA+U,C2/c,ABC10D3E_mC64_15_e_c_5f_ef_d:Cs-H-O-P-V,64.0,ABC10D3E_mC64_15_e_a_5f_ef_b:Cs-H-O-P-V +mp-1224323,KNa3Al12H24(SO7)8,-6.4477438971,-2.2020085449,0.0,-0.0192902407,GGA,P2/m,A12B24CD3E56F8_mP104_10_mn2o_2m2n4o_b_cdh_6m6n8o_2m2n:Al-H-K-Na-O-S,104.0,"Invalid WP multiplicities - A12B24CD3E56F8_mP104_10_2m2n4o_4m4n16o_b_ceg_12m12n32o_4m4n:Al-H-K-Na-O-S, expected KNa3Al24H80(SO11)16 to be KNa3Al12H24(SO7)8" +mp-1214678,CaH6C6(BrO4)2,-6.2607655722,-1.025395335,0.3742180129,0.3742180129,GGA,C2/m,A2B6CD6E8_mC92_12_j_3j_i_3j_g3i2j:Br-C-Ca-H-O,46.0,A2B6CD6E8_mC92_12_j_3j_i_3j_g3i2j:Br-C-Ca-H-O +mp-1196086,CaH24(BrN4)2,-5.0192333339,-0.6412607334,0.0,-0.0440936588,GGA,Pnma,A2BC24D8_oP140_62_2c_c_2c11d_2c3d:Br-Ca-H-N,140.0,A2BC24D8_oP140_62_2c_c_2c11d_2c3d:Br-Ca-H-N +mp-1202638,CaH24C6(BrO3)2,-5.1531570438,-0.7534337915,0.1252251108,0.1252251108,GGA,P-3,A2B6CD24E6_hP39_147_d_g_a_4g_g:Br-C-Ca-H-O,39.0,A2B6CD24E6_hP39_147_d_g_a_4g_g:Br-C-Ca-H-O +mp-1195960,CaH24C6Br2(N2O)6,-6.1540891514,-0.8280666819,0.0,-0.0002731756,GGA,P2_1/c,A2B6CD24E12F6_mP102_14_e_3e_a_12e_6e_3e:Br-C-Ca-H-N-O,102.0,A2B6CD24E12F6_mP102_14_e_3e_a_12e_6e_3e:Br-C-Ca-H-N-O +mp-759967,KLiMnP3HO10,-7.2851852862,-2.5039583578,0.0445310378,0.0445310378,GGA+U,P1,ABCDE10F3_aP34_1_2a_2a_2a_2a_20a_6a:H-K-Li-Mn-O-P,34.0,ABCDE10F3_aP34_1_2a_2a_2a_2a_20a_6a:H-K-Li-Mn-O-P +mp-1212200,K2LiP3HO9,-6.6290127825,-2.3613532371,0.1803388551,0.1803388551,GGA,P2_1/c,AB2CD9E3_mP64_14_e_2e_e_9e_3e:H-K-Li-O-P,64.0,AB2CD9E3_mP64_14_e_2e_e_9e_3e:H-K-Li-O-P +mp-753968,Li2WS4,-5.88457713,-1.124323497,0.0165632857,0.0147077924,GGA,Pnma,A2B4C_oP28_62_ac_2cd_c:Li-S-W,28.0,"Invalid WP multiplicities - A2B4C_oP28_62_2a2c_7c2d_c:Li-S-W, expected Li4WS11 to be Li2WS4" +mp-861184,Li2WS4,-5.8959563471,-1.1357027142,0.0051840686,0.0033285753,GGA,P-42m,A2B4C_tP7_111_e_n_a:Li-S-W,7.0,A2B4C_tP7_111_e_n_a:Li-S-W +mp-753195,Li2WS4,-5.9011404157000005,-1.1408867827,0.0,-0.0018554933,GGA,I-42m,A2B4C_tI14_121_c_i_a:Li-S-W,7.0,A2B4C_tI14_121_c_i_a:Li-S-W +mp-1213673,CsLiH4W2SO3,-5.3846101525,-0.2789429959,1.0368624646,1.0368624646,GGA+U,Cm,AB4CD3EF2_mC24_8_a_2ab_a_ab_a_2a:Cs-H-Li-O-S-W,12.0,AB4CD3EF2_mC24_8_a_2ab_a_ab_a_2a:Cs-H-Li-O-S-W +mp-17361,Cs2WS4,-5.7902198096,-1.3195434608,0.0,-0.1480586068,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Cs-S-W,28.0,A2B4C_oP28_62_2c_2cd_c:Cs-S-W +mp-1227891,Cs2W3(S2O)4,-5.9130992318,-0.4105375133,1.1433638353,1.1433638353,GGA+U,P2_1,A2B4C8D3_mP34_4_2a_4a_8a_3a:Cs-O-S-W,34.0,"Invalid WP multiplicities - A2B4C8D3_mP34_4_3a_6a_12a_4a:Cs-O-S-W, expected Cs3W4(S2O)6 to be Cs2W3(S2O)4" +mp-1101132,Te7As5I,-3.5697334954,0.0281203222,0.0947644317,0.0947644317,GGA,P1,A5BC7_aP13_1_5a_a_7a:As-I-Te,13.0,A5BC7_aP13_1_5a_a_7a:As-I-Te +mp-541032,Te7As5I,-3.6356610508,-0.0378072332,0.0288368763,0.0288368763,GGA,Cm,A5BC7_mC26_8_5a_a_7a:As-I-Te,13.0,A5BC7_mC26_8_5a_a_7a:As-I-Te +mp-1217385,Te7As5I,-3.6541910831,-0.0563372655,0.010306844,0.010306844,GGA,Cm,A5BC7_mC26_8_5a_a_7a:As-I-Te,13.0,A5BC7_mC26_8_5a_a_7a:As-I-Te +mp-1217461,Te4As2I2O,-3.5519794822,-0.2425481717,0.2159253677,0.2159253677,GGA,P1,A2B2CD4_aP9_1_2a_2a_a_4a:As-I-O-Te,9.0,A2B2CD4_aP9_1_2a_2a_a_4a:As-I-O-Te +mp-555034,TeAs(IF2)3,-3.9434879809,-1.7897246033,0.0105818537,0.0105818537,GGA,P2_1/c,AB6C3D_mP44_14_e_6e_3e_e:As-F-I-Te,44.0,"Invalid WP multiplicities - AB6C3D_mP44_14_e_19e_10e_e:As-F-I-Te, expected TeAsI10F19 to be TeAs(IF2)3" +mp-554957,Te3I(OF5)3,-4.574680944,-2.1012475496,0.0167940783,0.0167940783,GGA,P2_1/c,A15BC3D3_mP88_14_15e_e_3e_3e:F-I-O-Te,88.0,"Invalid WP multiplicities - A15BC3D3_mP88_14_60e_e_9e_9e:F-I-O-Te, expected Te9I(O3F20)3 to be Te3I(OF5)3" +mp-706456,Te2As2SI6(OF6)2,-3.8531471104,-1.3966422466,0.3811747483,0.3811747483,GGA,P1,A2B12C6D2EF2_aP100_1_8a_48a_24a_8a_4a_8a:As-F-I-O-S-Te,100.0,A2B12C6D2EF2_aP100_1_8a_48a_24a_8a_4a_8a:As-F-I-O-S-Te +mp-1101144,Te2As2SI6(OF6)2,-3.9054226095,-1.4489177457,0.3288992492,0.3288992492,GGA,P1,A2B12C6D2EF2_aP100_1_8a_48a_24a_8a_4a_8a:As-F-I-O-S-Te,100.0,A2B12C6D2EF2_aP100_1_8a_48a_24a_8a_4a_8a:As-F-I-O-S-Te +mp-1212004,LiNiBP2H6O11,-6.5668892283,-2.0230261181,0.0133275929,0.0133275929,GGA+U,P6_122,AB6CDE11F2_hP132_178_b_3c_b_b_b5c_c:B-H-Li-Ni-O-P,132.0,AB6CDE11F2_hP132_178_b_3c_b_b_b5c_c:B-H-Li-Ni-O-P +mp-1201845,LiAuC4S4(OF)12,-5.8711676118,-1.7258358927000002,0.2204343337,0.2204343337,GGA,P-1,AB4C12DE12F4_aP34_2_a_2i_6i_e_6i_2i:Au-C-F-Li-O-S,34.0,AB4C12DE12F4_aP34_2_a_2i_6i_e_6i_2i:Au-C-F-Li-O-S +mp-23830,CrH36C12S6(ClO2)3,-5.169943863,-0.4421374185,0.1808123847,0.1808123847,GGA+U,R-3,A12B3CD36E6F6_hR192_148_2f_ac_b_6f_f_f:C-Cl-Cr-H-O-S,64.0,"Invalid WP multiplicities - A12B3CD36E6F6_hR192_148_3f_ac_b_10f_f_f:C-Cl-Cr-H-O-S, expected CrH60C18S6(ClO2)3 to be CrH36C12S6(ClO2)3" +mp-698367,CrH9C6(S2O)3,-5.8312746584,-0.4225410518,0.2556917866,0.2556917866,GGA+U,P2_1/c,A6BC9D3E6_mP100_14_6e_e_9e_3e_6e:C-Cr-H-O-S,100.0,A6BC9D3E6_mP100_14_6e_e_9e_3e_6e:C-Cr-H-O-S +mp-1104828,PbS2(NO4)2,-5.7551568169,-0.5065378674000001,0.9492615366,0.9492615366,GGA,R-3m,A2B8CD2_hR39_166_c_ch_a_c:N-O-Pb-S,13.0,A2B8CD2_hR39_166_c_ch_a_c:N-O-Pb-S +mp-1180029,PbC6S6N12(ClO4)2,-6.0183453626,0.4734221042,1.2888892867,1.2888892867,GGA,P-1,A6B2C12D8EF6_aP35_2_3i_i_6i_4i_a_3i:C-Cl-N-O-Pb-S,35.0,A6B2C12D8EF6_aP35_2_3i_i_6i_4i_a_3i:C-Cl-N-O-Pb-S +mp-1198506,Cu4H18C6S3I4,-4.5933752788,-0.2750694661,0.0104680034,0.0104680034,GGA,Cmce,A6B4C18D4E3_oC280_64_3g_2fg_9g_2fg_e2f:C-Cu-H-I-S,140.0,A6B4C18D4E3_oC280_64_3g_2fg_9g_2fg_e2f:C-Cu-H-I-S +mp-1226404,CuSiH18C7S3I,-5.0252322267,-0.216297778,0.1065580626,0.1065580626,GGA,P2_1/c,A7BC18DE3F_mP124_14_7e_e_18e_e_3e_e:C-Cu-H-I-S-Si,124.0,A7BC18DE3F_mP124_14_7e_e_18e_e_3e_e:C-Cu-H-I-S-Si +mp-1007694,SnPO4F,-6.9802172654,-2.534344669,0.0,-0.0189914039,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:F-O-P-Sn,28.0,AB4CD_oP28_62_c_2cd_c_c:F-O-P-Sn +mp-766448,NaSnPHO4F,-6.3020782792,-2.3202605555,0.0150997986,0.0150997986,GGA,Pnma,ABCD4EF_oP36_62_c_c_c_2cd_c_c:F-H-Na-O-P-Sn,36.0,"Invalid WP multiplicities - ABCD4EF_oP36_62_c_c_c_5c4d_c_c:F-H-Na-O-P-Sn, expected NaSnPHO13F to be NaSnPHO4F" +mp-1203874,NaSnPHO4F,-6.3110765269,-2.3292588033,0.0061015508,0.0061015508,GGA,Pnma,ABCD4EF_oP36_62_c_c_c_2cd_c_c:F-H-Na-O-P-Sn,36.0,ABCD4EF_oP36_62_c_c_c_2cd_c_c:F-H-Na-O-P-Sn +mp-546757,Sn3PO4F3,-6.3191595055,-2.4134131583,0.0,-0.0045779711,GGA,R3,A3B4CD3_hR33_146_b_ab_a_b:F-O-P-Sn,11.0,A3B4CD3_hR33_146_b_ab_a_b:F-O-P-Sn +mp-1008228,SnPOF7,-5.5358947124,-2.7609031278,0.0137628711,0.0137628711,GGA,Pbca,A7BCD_oP80_61_7c_c_c_c:F-O-P-Sn,80.0,A7BCD_oP80_61_7c_c_c_c:F-O-P-Sn +mp-555838,SnPO3F,-6.8660277983,-2.5036245545,0.0,-0.0367404873,GGA,P2_1/c,AB3CD_mP24_14_e_3e_e_e:F-O-P-Sn,24.0,"Invalid WP multiplicities - AB3CD_mP24_14_e_8e_e_e:F-O-P-Sn, expected SnPO8F to be SnPO3F" +mp-1204652,B2H20C6N3Cl5,-5.1382290322,-0.3927438802,0.2079678503,0.2079678503,GGA,P3_121,A2B6C5D20E3_hP216_152_2c_6c_ab4c_20c_3c:B-C-Cl-H-N,216.0,A2B6C5D20E3_hP216_152_2c_6c_ab4c_20c_3c:B-C-Cl-H-N +mp-1199507,SiBH3CNCl3,-5.542707741,-1.0033419077,0.0477752685,0.0477752685,GGA,R3c,ABC3D3EF_hR180_161_b_b_3b_3b_b_b:B-C-Cl-H-N-Si,60.0,ABC3D3EF_hR180_161_b_b_3b_3b_b_b:B-C-Cl-H-N-Si +mp-698440,SiBHC3NCl2,-6.0930388656,0.0421834198,0.9088032386,0.9088032386,GGA,P2_1/c,AB3C2DEF_mP36_14_e_3e_2e_e_e_e:B-C-Cl-H-N-Si,36.0,AB3C2DEF_mP36_14_e_3e_2e_e_e_e:B-C-Cl-H-N-Si +mp-1204978,SiBH6C2NCl2,-5.5275063691,-0.6850474998,0.0372176149,0.0372176149,GGA,R3c,AB2C2D6EF_hR234_161_b_2b_2b_6b_b_b:B-C-Cl-H-N-Si,78.0,AB2C2D6EF_hR234_161_b_2b_2b_6b_b_b:B-C-Cl-H-N-Si +mp-1199287,B9H25C4NCl,-4.9694069439,-0.1685976785,0.173607906,0.173607906,GGA,P2_1/c,A9B4CD25E_mP160_14_9e_4e_e_25e_e:B-C-Cl-H-N,160.0,A9B4CD25E_mP160_14_9e_4e_e_25e_e:B-C-Cl-H-N +mp-1204476,BH17C6NCl,-5.2517247431000005,-0.2550801632,0.1240489875,0.1240489875,GGA,P2_1,AB6CD17E_mP52_4_a_6a_a_17a_a:B-C-Cl-H-N,52.0,AB6CD17E_mP52_4_a_6a_a_17a_a:B-C-Cl-H-N +mp-1214666,AsC2S3NF8,-5.363748285,-1.420139908,0.2370780732,0.2370780732,GGA,P-1,AB2C8DE3_aP30_2_i_2i_8i_i_3i:As-C-F-N-S,30.0,AB2C8DE3_aP30_2_i_2i_8i_i_3i:As-C-F-N-S +mp-554710,AgAsC4S8(N2F3)2,-5.85249049,-0.7561242892000001,0.1670361104,0.1670361104,GGA,P-4,ABC4D6E4F8_tP24_81_c_a_h_eh_h_2h:Ag-As-C-F-N-S,24.0,"Invalid WP multiplicities - ABC4D6E4F8_tP24_81_c_a_h_eh_h_6h:Ag-As-C-F-N-S, expected AgAsC4S24(N2F3)2 to be AgAsC4S8(N2F3)2" +mp-1204430,AsC3S3NF11,-5.4436934,-1.5427866605,0.1963738049,0.1963738049,GGA,P2_1/c,AB3C11DE3_mP76_14_e_3e_11e_e_3e:As-C-F-N-S,76.0,AB3C11DE3_mP76_14_e_3e_11e_e_3e:As-C-F-N-S +mp-555986,AsCS3N2F11,-5.1334540042,-1.5780988936,0.2006155106,0.2006155106,GGA,P-1,ABC11D2E3_aP36_2_i_i_11i_2i_3i:As-C-F-N-S,36.0,"Invalid WP multiplicities - ABC11D2E3_aP36_2_i_i_22i_4i_5i:As-C-F-N-S, expected AsCS5(N2F11)2 to be AsCS3N2F11" +mp-1214763,AsC3S3NF10,-5.490245495,-1.4788149904,0.2053769985,0.2053769985,GGA,P2_1/c,AB3C10DE3_mP72_14_e_3e_10e_e_3e:As-C-F-N-S,72.0,AB3C10DE3_mP72_14_e_3e_10e_e_3e:As-C-F-N-S +mp-1204310,TiH30C10S5(ClO3)2,-5.2652279695,-0.5240542063,0.1889255966,0.1889255966,GGA,P-1,A10B2C30D6E5F_aP108_2_10i_2i_30i_6i_5i_i:C-Cl-H-O-S-Ti,108.0,A10B2C30D6E5F_aP108_2_10i_2i_30i_6i_5i_i:C-Cl-H-O-S-Ti +mp-1196037,ZnH20PdC4(NO3)4,-5.9269569671,-1.0718366689,0.058559239,0.058559239,GGA,I222,A4B20C4D12EF_oI84_23_k_5k_k_fg2k_b_a:C-H-N-O-Pd-Zn,42.0,A4B20C4D12EF_oI84_23_k_5k_k_fg2k_b_a:C-H-N-O-Pd-Zn +mp-723034,Na2Mn(H2N)4,-5.1875576377,-0.3679007084,0.0677071843,0.0677071843,GGA,P2_1/c,A8BC4D2_mP60_14_8e_e_4e_2e:H-Mn-N-Na,60.0,A8BC4D2_mP60_14_8e_e_4e_2e:H-Mn-N-Na +mp-1193615,NaMnP2NO10,-6.572427689,-1.2981258466,0.7478320275,0.7478320275,GGA+U,Cc,ABCD10E2_mC60_9_a_a_a_10a_2a:Mn-N-Na-O-P,30.0,ABCD10E2_mC60_9_a_a_a_10a_2a:Mn-N-Na-O-P +mp-757398,NaMnP2H10NO10,-6.2422822868,-1.7206107633,0.0172247851,0.0172247851,GGA+U,Cc,A10BCDE10F2_mC100_9_10a_a_a_a_10a_2a:H-Mn-N-Na-O-P,50.0,"Invalid WP multiplicities - A10BCDE10F2_mC100_9_17a_a_a_a_19a_4a:H-Mn-N-Na-O-P, expected NaMnP4H17NO19 to be NaMnP2H10NO10" +mp-559223,GdH6C4NO9,-7.5417322745,-1.627263998,0.021517875,0.021517875,GGA,P2/c,A4BC6DE9_mP42_13_2g_e_3g_f_e4g:C-Gd-H-N-O,42.0,"Invalid WP multiplicities - A4BC6DE9_mP42_13_3g_e_10g_f_e15g:C-Gd-H-N-O, expected GdH20C6NO31 to be GdH6C4NO9" +mp-1213594,GdH18C4N6Cl3O8,-6.3251274498,-1.1451788937,0.0184752504,0.0184752504,GGA,C2/c,A4B3CD18E6F8_mC160_15_2f_ef_e_9f_3f_4f:C-Cl-Gd-H-N-O,80.0,A4B3CD18E6F8_mC160_15_2f_ef_e_9f_3f_4f:C-Cl-Gd-H-N-O +mp-1190565,GdH9C5(NO4)2,-7.128350302,-1.2483309561,0.1179045014,0.1179045014,GGA,C2,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Gd-H-N-O,25.0,A5BC9D2E8_mC50_5_a2c_b_a4c_c_4c:C-Gd-H-N-O +mp-1196098,GdH22C7NCl2O9,-5.9931855155,-0.996268365,0.1110659636,0.1110659636,GGA,P2_1/c,A7B2CD22EF9_mP168_14_7e_2e_e_22e_e_9e:C-Cl-Gd-H-N-O,168.0,A7B2CD22EF9_mP168_14_7e_2e_e_22e_e_9e:C-Cl-Gd-H-N-O +mp-1195779,NaNdP2H2CO7,-6.8785236889,-2.0529368103,0.4149848356,0.4149848356,GGA,P2_1/c,AB2CDE7F2_mP56_14_e_2e_e_e_7e_2e:C-H-Na-Nd-O-P,56.0,AB2CDE7F2_mP56_14_e_2e_e_e_7e_2e:C-H-Na-Nd-O-P +mp-1191082,NdP2H2CO6,-7.2578629512,-2.1504460933,0.2330077545,0.2330077545,GGA,C2/m,AB2CD6E2_mC48_12_i_2i_g_3j_j:C-H-Nd-O-P,24.0,AB2CD6E2_mC48_12_i_2i_g_3j_j:C-H-Nd-O-P +mp-767688,NaNdPCO7,-7.6346260391,-2.6019477024,0.0951249632,0.0951249632,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Na-Nd-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Na-Nd-O-P, expected NaNdPCO13 to be NaNdPCO7" +mp-767606,Na2NdPCO7,-7.4575297308,-2.7340308144,0.0327751,0.0327751,GGA,P2_1/m,AB2CD7E_mP24_11_e_f_e_5ef_e:C-Na-Nd-O-P,24.0,"Invalid WP multiplicities - AB2CD7E_mP24_11_e_f_e_9e2f_e:C-Na-Nd-O-P, expected Na2NdPCO13 to be Na2NdPCO7" +mp-556305,NdPH5CO7,-6.7309817973,-1.9976106883,0.1123486125,0.1123486125,GGA,P-1,AB5CD7E_aP30_2_i_5i_i_7i_i:C-H-Nd-O-P,30.0,"Invalid WP multiplicities - AB5CD7E_aP30_2_i_10i_i_14i_i:C-H-Nd-O-P, expected NdPH10CO14 to be NdPH5CO7" +mp-1197904,CdH12C2S2(N3Cl2)2,-5.2051785461,-0.5466989458,0.1219222582,0.1219222582,GGA,P2_1/c,A2BC4D12E6F2_mP54_14_e_a_2e_6e_3e_e:C-Cd-Cl-H-N-S,54.0,A2BC4D12E6F2_mP54_14_e_a_2e_6e_3e_e:C-Cd-Cl-H-N-S +mp-699261,CdH16C4S4(N4Cl)2,-5.6047662359,-0.4888805034,0.0335230179,0.0335230179,GGA,P4_2/n,A4BC2D16E8F4_tP140_86_2g_c_g_8g_4g_2g:C-Cd-Cl-H-N-S,140.0,A4BC2D16E8F4_tP140_86_2g_c_g_8g_4g_2g:C-Cd-Cl-H-N-S +mp-1200189,CdH12C2S2(N4Cl)2,-5.5053433637,-0.3662742623,0.1750457396,0.1750457396,GGA,P2_1/c,A2BC2D12E8F2_mP54_14_e_a_e_6e_4e_e:C-Cd-Cl-H-N-S,54.0,A2BC2D12E8F2_mP54_14_e_a_e_6e_4e_e:C-Cd-Cl-H-N-S +mp-1200842,CdH8C2S2(N2Cl)2,-5.4104652295,-0.5768872369,0.0408829294,0.0408829294,GGA,Pmn2_1,A2BC2D8E4F2_oP38_31_b_a_2a_4b_2b_b:C-Cd-Cl-H-N-S,38.0,A2BC2D8E4F2_oP38_31_b_a_2a_4b_2b_b:C-Cd-Cl-H-N-S +mp-1201659,MgH20C4(N5O6)2,-6.2389945432000005,-0.9391078048,0.1298233879,0.1298233879,GGA,P2_1/c,A4B20CD10E12_mP94_14_2e_10e_a_5e_6e:C-H-Mg-N-O,94.0,A4B20CD10E12_mP94_14_2e_10e_a_5e_6e:C-H-Mg-N-O +mp-1194681,MgH8C4(NO3)2,-6.4576738567,-1.1238704044,0.1036361305,0.1036361305,GGA,P2_1/c,A4B8CD2E6_mP84_14_4e_8e_ad_2e_6e:C-H-Mg-N-O,84.0,A4B8CD2E6_mP84_14_4e_8e_ab_2e_6e:C-H-Mg-N-O +mp-1199249,MgH11C2NO10,-5.8975491066,-1.2903099239,0.2135404929,0.2135404929,GGA,P2_1/c,A2B11CDE10_mP100_14_2e_11e_e_e_10e:C-H-Mg-N-O,100.0,A2B11CDE10_mP100_14_2e_11e_e_e_10e:C-H-Mg-N-O +mp-697170,MgH6(BrN)2,-4.7166408684,-0.9224878839,0.0,-0.0720119671,GGA,Pnma,A2B6CD2_oP44_62_d_2c2d_c_2c:Br-H-Mg-N,44.0,A2B6CD2_oP44_62_d_2c2d_c_2c:Br-H-Mg-N +mp-1233765,MgH20Br4(NO)4,-4.8208561645,-0.9178365035,0.0887281644,0.0887281644,GGA,P1,A4B20CD4E4_aP33_1_4a_20a_a_4a_4a:Br-H-Mg-N-O,33.0,A4B20CD4E4_aP33_1_4a_20a_a_4a_4a:Br-H-Mg-N-O +mp-1234392,MgH20Br4(NO)4,-4.8364707909,-0.9334511298,0.0731135381,0.0731135381,GGA,P1,A4B20CD4E4_aP33_1_4a_20a_a_4a_4a:Br-H-Mg-N-O,33.0,A4B20CD4E4_aP33_1_4a_20a_a_4a_4a:Br-H-Mg-N-O +mp-707720,MgH40C10Br2(N2O)10,-6.1755193796,-0.767099873,0.0009384809,0.0009384809,GGA,P2_1/c,A2B10C40DE20F10_mP166_14_e_5e_20e_a_10e_5e:Br-C-H-Mg-N-O,166.0,A2B10C40DE20F10_mP166_14_e_5e_20e_a_10e_5e:Br-C-H-Mg-N-O +mp-605684,Mg3H13C9NO13,-6.5164927001,-1.2701409991,0.1342241157,0.1342241157,GGA,P2_1/c,A9B13C3DE13_mP156_14_9e_13e_ab2e_e_13e:C-H-Mg-N-O,156.0,"Invalid WP multiplicities - A9B13C3DE13_mP156_14_33e_49e_2a2b5e_e_48e:C-H-Mg-N-O, expected Mg7H49C33NO48 to be Mg3H13C9NO13" +mp-1201936,MgH7C3NO7,-6.311660798,-1.2590989693,0.1974092478,0.1974092478,GGA,P2_12_12_1,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-Mg-N-O,76.0,A3B7CDE7_oP76_19_3a_7a_a_a_7a:C-H-Mg-N-O +mp-703426,MgH20C4Br2(N4O3)2,-5.2553652937,-0.2346918486,0.6873460973000001,0.6873460973000001,GGA,P2_1/c,A2B4C20DE8F6_mP82_14_e_2e_10e_a_4e_3e:Br-C-H-Mg-N-O,82.0,A2B4C20DE8F6_mP82_14_e_2e_10e_a_4e_3e:Br-C-H-Mg-N-O +mp-1199718,Mg6H12C14NO24,-6.8372957953,-1.4588267825,0.2442481347,0.2442481347,GGA,Pbcn,A14B12C6DE24_oP228_60_7d_6d_ac2d_c_12d:C-H-Mg-N-O,228.0,A14B12C6DE24_oP228_60_7d_6d_ac2d_c_12d:C-H-Mg-N-O +mp-1197765,MgH7C3NO6,-6.3504124994,-1.2919688308,0.08477008,0.08477008,GGA,P6_3,A3B7CDE6_hP108_173_3c_a2b6c_c_a2b_6c:C-H-Mg-N-O,108.0,A3B7CDE6_hP108_173_3c_a2b6c_c_a2b_6c:C-H-Mg-N-O +mp-560827,MgH8C4(N3O2)2,-6.6452575126,-0.7555846963,0.1639386412,0.1639386412,GGA,P2_1/c,A4B8CD6E4_mP46_14_2e_4e_a_3e_2e:C-H-Mg-N-O,46.0,"Invalid WP multiplicities - A4B8CD6E4_mP46_14_8e_12e_a_11e_5e:C-H-Mg-N-O, expected MgH24C16(N11O5)2 to be MgH8C4(N3O2)2" +mp-1198574,MgH8C3(NO3)2,-6.2771110404,-1.1380506901,0.1508311715,0.1508311715,GGA,P2_12_12_1,A3B8CD2E6_oP80_19_3a_8a_a_2a_6a:C-H-Mg-N-O,80.0,A3B8CD2E6_oP80_19_3a_8a_a_2a_6a:C-H-Mg-N-O +mp-698365,MgH10C4(N2O3)2,-6.470976044,-1.0522434665,0.052229783,0.052229783,GGA,C2/c,A4B10CD4E6_mC400_15_8f_20f_2f_8f_12f:C-H-Mg-N-O,200.0,A4B10CD4E6_mC400_15_8f_20f_2f_8f_12f:C-H-Mg-N-O +mp-559834,AgBTe4C(OF4)5,-5.1090848696,-2.1629330025,0.0852510424,0.0852510424,GGA,P2_1/c,ABCD20E5F4_mP128_14_e_e_e_20e_5e_4e:Ag-B-C-F-O-Te,128.0,"Invalid WP multiplicities - ABCD20E5F4_mP128_14_e_e_e_79e_20e_13e:Ag-B-C-F-O-Te, expected AgBTe13CO20F79 to be AgBTe4C(OF4)5" +mp-561226,BTe3(OF5)3,-5.0552948248,-2.3452239113,0.0,-0.0053373664,GGA,P6_3/m,AB15C3D3_hP44_176_c_h2i_h_h:B-F-O-Te,44.0,"Invalid WP multiplicities - AB15C3D3_hP44_176_c_5h11i_h_h:B-F-O-Te, expected BTe3(OF27)3 to be BTe3(OF5)3" +mp-557494,AgBTe4C2(O3F10)2,-5.2835916418,-2.0938206432,0.1609858005,0.1609858005,GGA,P-1,ABC2D20E6F4_aP136_2_aei_2i_4i_40i_12i_8i:Ag-B-C-F-O-Te,136.0,"Invalid WP multiplicities - ABC2D20E6F4_aP136_2_ae2i_3i_6i_79i_24i_15i:Ag-B-C-F-O-Te, expected Ag3B3Te15C6O24F79 to be AgBTe4C2(O3F10)2" +mp-1192471,PdC4(Br2N)2,-5.1461468932,0.7610937386000001,1.0302816585,1.0302816585,GGA,Cmce,A4B4C2D_oC44_64_df_g_d_a:Br-C-N-Pd,22.0,A4B4C2D_oC44_64_df_g_d_a:Br-C-N-Pd +mp-708969,P2H24PdC12(BrN3)2,-5.7221247038000005,-0.1625305757,0.2237657053,0.2237657053,GGA,P2_1/c,A2B12C24D6E2F_mP94_14_e_6e_12e_3e_e_a:Br-C-H-N-P-Pd,94.0,A2B12C24D6E2F_mP94_14_e_6e_12e_3e_e_a:Br-C-H-N-P-Pd +mp-1200227,LiSi4H27(C3O)3,-5.2486418754,-0.4051906534,0.1749932336,0.1749932336,GGA,P2_1/c,A9B27CD3E4_mP176_14_9e_27e_e_3e_4e:C-H-Li-O-Si,176.0,A9B27CD3E4_mP176_14_9e_27e_e_3e_4e:C-H-Li-O-Si +mp-707310,K2Zn3P4(HO3)4,-6.0939495633,-2.0705732647,0.0,-0.0187508624,GGA,P2_1/c,A4B2C12D4E3_mP100_14_4e_2e_12e_4e_3e:H-K-O-P-Zn,100.0,A4B2C12D4E3_mP100_14_4e_2e_12e_4e_3e:H-K-O-P-Zn +mp-1194104,K2ZnP4H8O15,-6.0495364103,-1.8336733917,0.2372113538,0.2372113538,GGA,C2/m,A8B2C15D4E_mC60_12_2j_i_ai3j_j_d:H-K-O-P-Zn,30.0,A8B2C15D4E_mC60_12_2j_i_ai3j_j_d:H-K-O-P-Zn +mp-1233329,K2MgZn2(PO3)6,-6.7510983034,-2.3421059929,0.2801347055,0.2801347055,GGA,P-6,A2BC18D6E2_hP29_174_g_a_jk2l_jk_h:K-Mg-O-P-Zn,29.0,"Invalid WP multiplicities - A2BC18D6E2_hP29_174_g_a_2j2k6l_2j2k_h:K-Mg-O-P-Zn, expected K2MgZn2(PO4)12 to be K2MgZn2(PO3)6" +mp-1233578,K2MgZn4P4(HO8)2,-6.2324521252,-2.2170819914,0.1785142474,0.1785142474,GGA,P1,A2B2CD16E4F4_aP29_1_2a_2a_a_16a_4a_4a:H-K-Mg-O-P-Zn,29.0,A2B2CD16E4F4_aP29_1_2a_2a_a_16a_4a_4a:H-K-Mg-O-P-Zn +mp-1233082,K2MgZn4P4(HO8)2,-6.2486102259,-2.233240092,0.1623561468,0.1623561468,GGA,P-1,A2B2CD16E4F4_aP29_2_i_i_a_8i_2i_2i:H-K-Mg-O-P-Zn,29.0,A2B2CD16E4F4_aP29_2_i_i_a_8i_2i_2i:H-K-Mg-O-P-Zn +mp-1234116,K2MgZn4P4(HO8)2,-6.2351691752,-2.2197990414,0.1757971974,0.1757971974,GGA,P-1,A2B2CD16E4F4_aP29_2_i_i_a_8i_2i_2i:H-K-Mg-O-P-Zn,29.0,A2B2CD16E4F4_aP29_2_i_i_a_8i_2i_2i:H-K-Mg-O-P-Zn +mp-24654,KZnP2H5O9,-6.1920632422,-2.0431423424,0.0050512576,0.0050512576,GGA,P-1,A5BC9D2E_aP36_2_5i_i_9i_2i_i:H-K-O-P-Zn,36.0,"Invalid WP multiplicities - A5BC9D2E_aP36_2_5i_i_12i_2i_i:H-K-O-P-Zn, expected KZnP2H5O12 to be KZnP2H5O9" +mp-1223616,KZnP2H5O9,-6.1806597367,-2.0317388369,0.0164547632,0.0164547632,GGA,Pna2_1,A5BC9D2E_oP72_33_5a_a_9a_2a_a:H-K-O-P-Zn,72.0,"Invalid WP multiplicities - A5BC9D2E_oP72_33_15a_a_24a_7a_a:H-K-O-P-Zn, expected KZnP7(H5O8)3 to be KZnP2H5O9" +mp-1193724,KZn2P2HO8,-6.4800906696,-2.3784673185000003,0.0,-0.0101314638,GGA,P-1,ABC8D2E2_aP28_2_i_i_8i_2i_2i:H-K-O-P-Zn,28.0,ABC8D2E2_aP28_2_i_i_8i_2i_2i:H-K-O-P-Zn +mp-1190204,MnPH4O5F,-6.5367166971,-1.9707879885,0.0253462627,0.0253462627,GGA+U,P-1,AB4CD5E_aP24_2_i_4i_i_5i_i:F-H-Mn-O-P,24.0,AB4CD5E_aP24_2_i_4i_i_5i_i:F-H-Mn-O-P +mp-1203159,Rb3Mn3P3O10F7,-6.95084885,-2.7387413308,0.0,-0.0093856233,GGA+U,Cc,A7B3C10D3E3_mC104_9_7a_3a_10a_3a_3a:F-Mn-O-P-Rb,52.0,A7B3C10D3E3_mC104_9_7a_3a_10a_3a_3a:F-Mn-O-P-Rb +mp-24036,Rb2MnH2OF5,-5.46221465,-2.5156129158,0.0,-0.0033325461,GGA+U,Cmcm,A5B2CDE2_oC44_63_cef_f_a_c_g:F-H-Mn-O-Rb,22.0,A5B2CDE2_oC44_63_cef_f_a_c_g:F-H-Mn-O-Rb +mp-677138,RbPHO3F,-6.2614683068,-2.4703100603,0.0236078032,0.0168107948,GGA,P2_1,ABC3DE_mP56_4_4a_4a_12a_4a_4a:F-H-O-P-Rb,56.0,"Invalid WP multiplicities - ABC3DE_mP56_4_6a_8a_22a_6a_6a:F-H-O-P-Rb, expected Rb3P3H4O11F3 to be RbPHO3F" +mp-774810,RbPHO3F,-6.28507611,-2.4939178635,0.0,-0.0067970084,GGA,P2_1/c,ABC3DE_mP56_14_2e_2e_6e_2e_2e:F-H-O-P-Rb,56.0,"Invalid WP multiplicities - ABC3DE_mP56_14_5e_5e_21e_5e_5e:F-H-O-P-Rb, expected Rb5P5H5O21F5 to be RbPHO3F" +mp-541374,RbMnH2OF4,-5.6646508664,-2.3845835291,0.0083081217,0.0083081217,GGA+U,C2/c,A4B2CDE_mC72_15_4f_2f_ce_f_f:F-H-Mn-O-Rb,36.0,A4B2CDE_mC72_15_4f_2f_ae_f_f:F-H-Mn-O-Rb +mp-1196691,Mn2PHO3F2,-7.4926247558,-2.4045043998,0.0,-0.0202199057,GGA+U,Pnma,A2BC2D3E_oP36_62_d_c_d_cd_c:F-H-Mn-O-P,36.0,A2BC2D3E_oP36_62_d_c_d_cd_c:F-H-Mn-O-P +mp-761252,RbPH3O4F,-5.9647501778,-2.1377253251,0.0,-0.0043396365,GGA,Pna2_1,AB3C4DE_oP40_33_a_3a_4a_a_a:F-H-O-P-Rb,40.0,"Invalid WP multiplicities - AB3C4DE_oP40_33_a_9a_13a_a_a:F-H-O-P-Rb, expected RbPH9O13F to be RbPH3O4F" +mp-1220230,Rb2MnP2H3(O4F)2,-6.5621114381,-2.366315093,0.0,-0.0026579849,GGA+U,P2_1,A2B3CD8E2F2_mP36_4_2a_3a_a_8a_2a_2a:F-H-Mn-O-P-Rb,36.0,A2B3CD8E2F2_mP36_4_2a_3a_a_8a_2a_2a:F-H-Mn-O-P-Rb +mp-1217323,ThUC2,-9.54672134,-0.2560715288,0.0,-0.05646764,GGA,R-3m,A2BC_hR12_166_c_a_b:C-Th-U,4.0,A2BC_hR12_166_c_a_b:C-Th-U +mp-1201340,UP2H2CO13,-6.4082117039,-1.0166808696,1.1931794612,1.1931794612,GGA,P2_1/m,AB2C13D2E_mP76_11_2e_4e_8e9f_2f_2e:C-H-O-P-U,76.0,AB2C13D2E_mP76_11_2e_4e_8e9f_2f_2e:C-H-O-P-U +mp-1199323,ThP2H2CO8,-7.1618397738,-1.8884047355,0.7290199021,0.7290199021,GGA,Pna2_1,AB2C8D2E_oP56_33_a_2a_8a_2a_a:C-H-O-P-Th,56.0,AB2C8D2E_oP56_33_a_2a_8a_2a_a:C-H-O-P-Th +mp-1217411,Th3U3P8,-8.249504645,-1.1479171569,0.0516232236,0.0516232236,GGA,C2,A8B3C3_mC28_5_4c_ac_bc:P-Th-U,14.0,"Invalid WP multiplicities - A8B3C3_mC28_5_7c_ac_bc:P-Th-U, expected Th3U3P14 to be Th3U3P8" +mp-1197788,UP2H2CO7,-7.8571375257,-2.2602949422,0.1557811675,0.1557811675,GGA,Pbca,AB2C7D2E_oP104_61_c_2c_7c_2c_c:C-H-O-P-U,104.0,AB2C7D2E_oP104_61_c_2c_7c_2c_c:C-H-O-P-U +mp-1203553,UP2H6CO10,-6.8300510117,-1.7715548168000002,0.3440216012,0.3440216012,GGA,Pna2_1,AB6C10D2E_oP80_33_a_6a_10a_2a_a:C-H-O-P-U,80.0,AB6C10D2E_oP80_33_a_6a_10a_2a_a:C-H-O-P-U +mp-1198873,U2P2H2CO14,-7.2609522656,-1.6096577621,1.0779555913,1.0779555913,GGA,P2_1/c,AB2C14D2E2_mP84_14_e_2e_14e_2e_2e:C-H-O-P-U,84.0,AB2C14D2E2_mP84_14_e_2e_14e_2e_2e:C-H-O-P-U +mp-1199367,UP2H2CO9,-7.2679997067,-1.7578443062,0.7271370362,0.7271370362,GGA,Pna2_1,AB2C9D2E_oP60_33_a_2a_9a_2a_a:C-H-O-P-U,60.0,AB2C9D2E_oP60_33_a_2a_9a_2a_a:C-H-O-P-U +mp-1203255,UPH3(CO5)2,-6.8980632729,-1.321174523,0.8958927574000001,0.8958927574000001,GGA,P2_1,A2B3C10DE_mP34_4_2a_3a_10a_a_a:C-H-O-P-U,34.0,A2B3C10DE_mP34_4_2a_3a_10a_a_a:C-H-O-P-U +mp-1217479,ThUH8(C2O5)4,-7.5720137297,-1.8191143933,0.0803957676,0.0803957676,GGA,C222,A8B8C20DE_oC76_21_2l_2l_ef4l_a_c:C-H-O-Th-U,38.0,A8B8C20DE_oC76_21_2l_2l_ef4l_a_c:C-H-O-Th-U +mp-1197197,ThP2(HO4)2,-6.9118112959,-1.9426247541,0.8761402403,0.8761402403,GGA,Pbca,A2B8C2D_oP104_61_2c_8c_2c_c:H-O-P-Th,104.0,A2B8C2D_oP104_61_2c_8c_2c_c:H-O-P-Th +mp-1200542,ThUP4H4(CO8)2,-7.3494172536,-1.9374982239,0.6076142463,0.6076142463,GGA,P2_1/m,A2B4C16D4EF_mP56_11_f_2f_2e7f_2f_e_a:C-H-O-P-Th-U,56.0,A2B4C16D4EF_mP56_11_f_2f_2e7f_2f_e_a:C-H-O-P-Th-U +mp-1203862,UP2H10CO11,-6.6084129483,-1.8209122767,0.0508332302,0.0508332302,GGA,Pnma,AB10C11D2E_oP100_62_c_2c4d_3c4d_d_c:C-H-O-P-U,100.0,AB10C11D2E_oP100_62_c_2c4d_3c4d_d_c:C-H-O-P-U +mp-706976,PH4N(OF)2,-5.8378761527,-1.7341724558,0.0,-0.0107046691,GGA,Pnma,A2B4CD2E_oP40_62_2c_2cd_c_d_c:F-H-N-O-P,40.0,A2B4CD2E_oP40_62_2c_2cd_c_d_c:F-H-N-O-P +mp-24712,PH5NO3F,-5.9144037130000005,-1.5994061895,0.0025208526,-0.0062772894,GGA,P-1,AB5CD3E_aP44_2_2i_10i_2i_6i_2i:F-H-N-O-P,44.0,"Invalid WP multiplicities - AB5CD3E_aP44_2_3i_10i_2i_9i_2i:F-H-N-O-P, expected P2H10N2(O3F)3 to be PH5NO3F" +mp-759962,PH5NO3F,-5.9169245656000005,-1.6019270421,0.0,-0.008798142,GGA,P2_1/c,AB5CD3E_mP88_14_2e_10e_2e_6e_2e:F-H-N-O-P,88.0,"Invalid WP multiplicities - AB5CD3E_mP88_14_5e_37e_3e_21e_3e:F-H-N-O-P, expected P3H37N3O21F5 to be PH5NO3F" +mp-24363,PH10N2O4F,-5.6439917157,-1.3266702369,0.0126814451,0.0126814451,GGA,P2_1/c,AB10C2D4E_mP72_14_e_10e_2e_4e_e:F-H-N-O-P,72.0,"Invalid WP multiplicities - AB10C2D4E_mP72_14_e_13e_2e_6e_e:F-H-N-O-P, expected PH13N2O6F to be PH10N2O4F" +mp-24157,PH8N2O3F,-5.737770255,-1.3391272005,0.0,-0.0032711232,GGA,Pna2_1,AB8C2D3E_oP60_33_a_8a_2a_3a_a:F-H-N-O-P,60.0,"Invalid WP multiplicities - AB8C2D3E_oP60_33_a_11a_3a_5a_a:F-H-N-O-P, expected PH11N3O5F to be PH8N2O3F" +mp-1203183,LiPH3NO3,-6.1904682731,-1.6708055434,0.0678705325,0.0678705325,GGA,P-1,A3BCD3E_aP36_2_6i_2i_2i_6i_2i:H-Li-N-O-P,36.0,A3BCD3E_aP36_2_6i_2i_2i_6i_2i:H-Li-N-O-P +mp-720554,LiPH4NO3F,-5.9818211168,-1.8017147914,0.0136680072,0.0136680072,GGA,P2_1/c,AB4CDE3F_mP44_14_e_4e_e_e_3e_e:F-H-Li-N-O-P,44.0,AB4CDE3F_mP44_14_e_4e_e_e_3e_e:F-H-Li-N-O-P +mp-734003,Li2P3NO9,-6.8511899373,-1.990226832,0.4160255378,0.4160255378,GGA,Pbca,A2BC9D3_oP120_61_2c_c_9c_3c:Li-N-O-P,120.0,A2BC9D3_oP120_61_2c_c_9c_3c:Li-N-O-P +mp-1195205,LiP2H8NO8,-6.1472509718,-1.757883929,0.0059846905,0.0059846905,GGA,P2_1/c,A8BCD8E2_mP80_14_8e_e_e_8e_2e:H-Li-N-O-P,80.0,A8BCD8E2_mP80_14_8e_e_e_8e_2e:H-Li-N-O-P +mp-1020011,Li14P2(N2O)3,-5.4115968984,-1.3151744652,0.0,-0.0137568058,GGA,P-3,A14B6C3D2_hP25_147_c2g_g_ad_d:Li-N-O-P,25.0,A14B6C3D2_hP25_147_c2g_g_ad_d:Li-N-O-P +mp-1181036,LiP3N2O11,-7.1418538076,-1.8927128629,0.0890567322,0.0890567322,GGA,P2_1/c,AB2C11D3_mP68_14_e_2e_11e_3e:Li-N-O-P,68.0,AB2C11D3_mP68_14_e_2e_11e_3e:Li-N-O-P +mp-1020019,Li2PNO2,-6.7509019458,-2.1740651812,0.0,-0.0078061279,GGA,Cmc2_1,A2BC2D_oC24_36_b_a_b_a:Li-N-O-P,12.0,A2BC2D_oC24_36_b_a_b_a:Li-N-O-P +mp-1199050,CuH20N6OF2,-5.0679063814,-0.7098282559,0.035587082,0.035587082,GGA,P3_221,AB2C20D6E_hP90_154_a_c_10c_3c_b:Cu-F-H-N-O,90.0,AB2C20D6E_hP90_154_a_c_10c_3c_b:Cu-F-H-N-O +mp-733866,CuPH6NO5,-5.8839968646,-1.3883680126,0.0246622366,0.0246622366,GGA,P2_1/c,AB6CD5E_mP56_14_e_6e_e_5e_e:Cu-H-N-O-P,56.0,AB6CD5E_mP56_14_e_6e_e_5e_e:Cu-H-N-O-P +mp-510292,CuPH6NO5,-5.8579067532,-1.3622779012,0.050752348,0.050752348,GGA,Pmn2_1,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Cu-H-N-O-P,28.0,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Cu-H-N-O-P +mp-1201294,CuPNO5,-6.7695544841,-1.4467485268,0.1420050095,0.1420050095,GGA,P2_1/c,ABC5D_mP32_14_e_e_5e_e:Cu-N-O-P,32.0,ABC5D_mP32_14_e_e_5e_e:Cu-N-O-P +mp-1197779,Cu3P8(NO12)2,-6.9791463843,-1.8170501956,0.3056971528,0.3056971528,GGA,P-1,A3B2C24D8_aP37_2_ai_i_12i_4i:Cu-N-O-P,37.0,A3B2C24D8_aP37_2_ai_i_12i_4i:Cu-N-O-P +mp-1198285,Cu3P4H8N2(O3F)4,-6.1899951435,-1.8029706389,0.0,-0.0121624311,GGA,P2_1/c,A3B4C8D2E12F4_mP66_14_ae_2e_4e_e_6e_2e:Cu-F-H-N-O-P,66.0,A3B4C8D2E12F4_mP66_14_ae_2e_4e_e_6e_2e:Cu-F-H-N-O-P +mp-707413,CuH12N2(OF2)2,-4.9779683474,-1.2149110925,0.0449814063,0.0449814063,GGA,P2_1/c,AB4C12D2E2_mP168_14_2e_8e_24e_4e_4e:Cu-F-H-N-O,168.0,AB4C12D2E2_mP168_14_2e_8e_24e_4e_4e:Cu-F-H-N-O +mp-850027,CuH12N2(OF2)2,-4.9392990358,-1.176241781,0.0836507178,0.0836507178,GGA,P2_1/c,AB4C12D2E2_mP168_14_2e_8e_24e_4e_4e:Cu-F-H-N-O,168.0,"Invalid WP multiplicities - AB4C12D2E2_mP168_14_7e_31e_95e_15e_15e:Cu-F-H-N-O, expected Cu7H95N15O15F31 to be CuH12N2(OF2)2" +mp-697008,CuH12N2(OF2)2,-4.9951597176,-1.2321024627,0.027790036,0.027790036,GGA,C2/c,AB4C12D2E2_mC84_15_e_2ef_6f_f_f:Cu-F-H-N-O,42.0,AB4C12D2E2_mC84_15_e_2ef_6f_f_f:Cu-F-H-N-O +mp-1182273,CuP3NO9,-6.9015656966000005,-1.6732937312,0.4137365695,0.4137365695,GGA,P2_1/c,ABC9D3_mP56_14_ac_e_9e_3e:Cu-N-O-P,56.0,ABC9D3_mP56_14_ac_e_9e_3e:Cu-N-O-P +mp-1197183,CuP3NO9,-6.9171895652,-1.6889175997,0.3981127009,0.3981127009,GGA,P2_1/c,ABC9D3_mP56_14_ac_e_9e_3e:Cu-N-O-P,56.0,ABC9D3_mP56_14_ac_e_9e_3e:Cu-N-O-P +mp-728378,Cu3P2NO6,-6.020328934,-0.925257916,0.7501423735,0.7501423735,GGA,Pna2_1,A3BC6D2_oP48_33_3a_a_6a_2a:Cu-N-O-P,48.0,A3BC6D2_oP48_33_3a_a_6a_2a:Cu-N-O-P +mp-1196599,CuH8N2(OF2)2,-4.9936080112,-1.143414001,0.194656671,0.194656671,GGA,P2_1/c,AB4C8D2E2_mP34_14_a_2e_4e_e_e:Cu-F-H-N-O,34.0,AB4C8D2E2_mP34_14_a_2e_4e_e_e:Cu-F-H-N-O +mp-721471,CuPH4O5F,-5.8815808,-1.73755281,0.0,-0.0002739935,GGA,P2_1/c,ABC4D5E_mP48_14_e_e_4e_5e_e:Cu-F-H-O-P,48.0,ABC4D5E_mP48_14_e_e_4e_5e_e:Cu-F-H-O-P +mp-695966,CuP3H12NO13,-5.7719125185,-1.3154033551,0.3471347301,0.3471347301,GGA,P-1,AB12CD13E3_aP60_2_be_12i_i_13i_3i:Cu-H-N-O-P,60.0,AB12CD13E3_aP60_2_be_12i_i_13i_3i:Cu-H-N-O-P +mp-690769,CuP2H12N2(O4F)2,-5.7737489367,-1.488268133,0.0395198769,0.0395198769,GGA,C2/m,AB2C12D2E8F2_mC54_12_a_i_2i2j_i_2ij_i:Cu-F-H-N-O-P,27.0,AB2C12D2E8F2_mC54_12_a_i_2i2j_i_2ij_i:Cu-F-H-N-O-P +mp-1221999,MgH6(NCl)2,-4.8519690018,-1.00408723,0.0025388464,-0.0775170764,GGA,C2,A2B6CD2_mC22_5_2a_3c_b_c:Cl-H-Mg-N,11.0,"Invalid WP multiplicities - A2B6CD2_mC22_5_2a_5c_b_c:Cl-H-Mg-N, expected MgH10(NCl)2 to be MgH6(NCl)2" +mp-697168,MgH6(NCl)2,-4.8545078482,-1.0066260764,0.0,-0.0800559228,GGA,Imma,A2B6CD2_oI44_74_i_hj_e_h:Cl-H-Mg-N,22.0,A2B6CD2_oI44_74_i_hj_e_h:Cl-H-Mg-N +mp-707907,MgH24C6N12(ClO6)2,-6.0622608973,-0.772910458,0.240246517,0.240246517,GGA,P2_1/c,A6B2C24DE12F12_mP114_14_3e_e_12e_a_6e_6e:C-Cl-H-Mg-N-O,114.0,A6B2C24DE12F12_mP114_14_3e_e_12e_a_6e_6e:C-Cl-H-Mg-N-O +mp-1180491,MgN(ClO2)3,-4.4041454036,-0.2984620198,0.7095441003,0.7095441003,GGA,P1,A3BCD6_aP22_1_6a_2a_2a_12a:Cl-Mg-N-O,22.0,A3BCD6_aP22_1_6a_2a_2a_12a:Cl-Mg-N-O +mp-1190969,MgN(ClO2)3,-4.2493835859,-0.143700202,0.864305918,0.864305918,GGA,P1,A3BCD6_aP22_1_6a_2a_2a_12a:Cl-Mg-N-O,22.0,A3BCD6_aP22_1_6a_2a_2a_12a:Cl-Mg-N-O +mp-1180425,MgN(ClO2)3,-4.2926982095,-0.1870148257,0.8209912944000001,0.8209912944000001,GGA,C2/c,A3BCD6_mC44_15_af_b_e_3f:Cl-Mg-N-O,22.0,A3BCD6_mC44_15_cf_d_e_3f:Cl-Mg-N-O +mp-1192273,MgN(ClO2)3,-4.2227979545,-0.1171145707,0.8908915494,0.8908915494,GGA,C2/c,A3BCD6_mC44_15_af_b_e_3f:Cl-Mg-N-O,22.0,A3BCD6_mC44_15_cf_d_e_3f:Cl-Mg-N-O +mp-1238935,MgN(ClO2)3,-4.2438619982,-0.1381786143,0.8698275057,0.8698275057,GGA,C2/c,A3BCD6_mC44_15_af_b_e_3f:Cl-Mg-N-O,22.0,A3BCD6_mC44_15_cf_d_e_3f:Cl-Mg-N-O +mp-1207887,Y3Al6Si6B3H3O31,-8.0644400875,-3.1031231645,0.1199649554,0.1199649554,GGA,R3m,A6B3C3D31E6F3_hR156_160_c_b_b_a4b3c_c_b:Al-B-H-O-Si-Y,52.0,A6B3C3D31E6F3_hR156_160_c_b_b_a4b3c_c_b:Al-B-H-O-Si-Y +mp-1178731,YB6(HO4)3,-7.9754930114,-2.6990719019,0.0,-0.027966461,GGA,R3c,A6B3C12D_hR132_161_2b_b_4b_a:B-H-O-Y,44.0,A6B3C12D_hR132_161_2b_b_4b_a:B-H-O-Y +mp-699469,AlH15N5Cl3,-5.0578703015,-0.8135140052000001,0.0,-0.0389916131,GGA,Pnma,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Cl-H-N,96.0,AB3C15D5_oP96_62_c_cd_3c6d_3cd:Al-Cl-H-N +mp-1229258,AlC4NCl2,-6.4619519463,0.1247738094,0.9120779077,0.9120779077,GGA,P2_1,AB4C2D_mP16_4_a_4a_2a_a:Al-C-Cl-N,16.0,AB4C2D_mP16_4_a_4a_2a_a:Al-C-Cl-N +mp-1193266,AlH8C3NCl2,-5.281416651,-0.5742867235,0.0978115693,0.0978115693,GGA,P-1,AB3C2D8E_aP30_2_i_3i_2i_8i_i:Al-C-Cl-H-N,30.0,AB3C2D8E_aP30_2_i_3i_2i_8i_i:Al-C-Cl-H-N +mp-1182913,AlC5NCl,-6.787244065,0.7219977947,1.3136994695,1.3136994695,GGA,P2_1/m,AB5CD_mP16_11_e_e2f_e_e:Al-C-Cl-N,16.0,AB5CD_mP16_11_e_e2f_e_e:Al-C-Cl-N +mp-1189041,AlC5NCl,-6.4263487331,1.0828931266,1.6745948014,1.6745948014,GGA,P2_1/m,AB5CD_mP16_11_e_e2f_e_e:Al-C-Cl-N,16.0,AB5CD_mP16_11_e_e2f_e_e:Al-C-Cl-N +mp-607454,AlC3(NCl2)3,-6.0051485902,-0.8103580485,0.0,-0.0020725752,GGA,P-1,AB3C6D3_aP52_2_2i_6i_12i_6i:Al-C-Cl-N,52.0,"Invalid WP multiplicities - AB3C6D3_aP52_2_4i_12i_23i_8i:Al-C-Cl-N, expected Al4C12N8Cl23 to be AlC3(NCl2)3" +mp-1105616,AlC3NCl3,-5.2565380519,0.4076715997,1.3905781216,1.3905781216,GGA,P2_1/m,AB3C3D_mP16_11_e_ef_ef_e:Al-C-Cl-N,16.0,AB3C3D_mP16_11_e_ef_ef_e:Al-C-Cl-N +mp-1197837,AlH18C6N2Cl3,-5.1984607813,-0.4516195338,0.1089342429,0.1089342429,GGA,Pnma,AB6C3D18E2_oP120_62_c_2c2d_cd_2c8d_2c:Al-C-Cl-H-N,120.0,AB6C3D18E2_oP120_62_c_2c2d_cd_2c8d_2c:Al-C-Cl-H-N +mp-740718,AlH6N2Cl3,-4.9434551449,-1.0834108174,0.0,-0.0094005671,GGA,Pnma,AB3C6D2_oP96_62_ac_2c2d_6d_2d:Al-Cl-H-N,96.0,AB3C6D2_oP96_62_ac_2c2d_6d_2d:Al-Cl-H-N +mp-759356,AlH3NCl3,-4.8102388542,-1.3345064955,0.0,-0.0304951215,GGA,Pbca,AB3C3D_oP64_61_c_3c_3c_c:Al-Cl-H-N,64.0,"Invalid WP multiplicities - AB3C3D_oP64_61_c_9c_9c_c:Al-Cl-H-N, expected AlH9NCl9 to be AlH3NCl3" +mp-806996,VFeP2(O4F)2,-4.3073628464,0.8195657192,3.3484041492,3.3484041492,GGA+U,P-1,A2BC8D2E_aP14_2_i_b_4i_i_e:F-Fe-O-P-V,14.0,"Invalid WP multiplicities - A2BC8D2E_aP14_2_i_b_7i_i_e:F-Fe-O-P-V, expected VFeP2(O7F)2 to be VFeP2(O4F)2" +mp-777408,VFeP2(O4F)2,-7.6175591904,-2.4906306248,0.0382078053,0.0382078053,GGA+U,P-1,A2BC8D2E_aP14_2_i_b_4i_i_e:F-Fe-O-P-V,28.0,A2BC8D2E_aP14_2_i_b_4i_i_e:F-Fe-O-P-V +mp-1405864,VFeP2(O4F)2,-5.2338884757,-0.1069599101,2.4218785199,2.4218785199,GGA+U,P-1,A2BC8D2E_aP14_2_i_a_4i_i_b:F-Fe-O-P-V,14.0,"Invalid WP multiplicities - A2BC8D2E_aP14_2_i_a_7i_i_b:F-Fe-O-P-V, expected VFeP2(O7F)2 to be VFeP2(O4F)2" +mp-2224790,MgVFeP2(O4F)2,-7.595735462,-2.7039167974,0.0768605027,0.0768605027,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Mg-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Mg-O-P-V +mp-2241265,MgVFeP2(O4F)2,-7.624468818,-2.7326501534,0.0481271467,0.0481271467,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Mg-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Mg-O-P-V +mp-2240896,MgVFeP2(O4F)2,-7.626224748,-2.7344060834,0.0463712167,0.0463712167,GGA+U,P-1,A2BCD8E2F_aP15_2_i_c_a_4i_i_f:F-Fe-Mg-O-P-V,15.0,"Invalid WP multiplicities - A2BCD8E2F_aP15_2_i_c_a_7i_i_f:F-Fe-Mg-O-P-V, expected MgVFeP2(O7F)2 to be MgVFeP2(O4F)2" +mp-738615,HgH3CSO3,-5.180841555,-0.8822815558,0.2855558127,0.2855558127,GGA,C2/c,AB3CD3E_mC72_15_f_3f_f_3f_f:C-H-Hg-O-S,36.0,AB3CD3E_mC72_15_f_3f_f_3f_f:C-H-Hg-O-S +mp-690771,H8CS(NO)4,-6.0565042472,-0.8543010103,0.0750619504,0.0750619504,GGA,P-1,AB8C4D4E_aP36_2_i_8i_4i_4i_i:C-H-N-O-S,36.0,AB8C4D4E_aP36_2_i_8i_4i_4i_i:C-H-N-O-S +mp-1197215,H12C2S(N5O4)2,-6.2962762086,-0.6524897743,0.2586869988,0.2586869988,GGA,Fdd2,A2B12C10D8E_oF264_43_b_6b_5b_4b_a:C-H-N-O-S,66.0,A2B12C10D8E_oF264_43_b_6b_5b_4b_a:C-H-N-O-S +mp-1200372,H4CS(NO)2,-6.1314962893,-0.7812576081,0.0955056465,0.0955056465,GGA,P-1,AB4C2D2E_aP40_2_2i_8i_4i_4i_2i:C-H-N-O-S,40.0,AB4C2D2E_aP40_2_2i_8i_4i_4i_2i:C-H-N-O-S +mp-706973,H4CS(NO)2,-6.0605122542,-0.7102735731,0.1664896815,0.1664896815,GGA,Pnma,AB4C2D2E_oP40_62_c_2d_d_d_c:C-H-N-O-S,40.0,AB4C2D2E_oP40_62_c_2d_d_d_c:C-H-N-O-S +mp-1212516,H6CS(NO)3,-6.1319057007,-0.8768326623,0.0337446891,0.0337446891,GGA,P6_3mc,AB6C3D3E_hP56_186_ab_2d_2c_2c_2b:C-H-N-O-S,56.0,AB6C3D3E_hP56_186_ab_2d_2c_2c_2b:C-H-N-O-S +mp-1205193,H7C2SNO2,-5.5014155723,-0.5342820712,0.2353216517,0.2353216517,GGA,P-1,A2B7CD2E_aP52_2_4i_14i_2i_4i_2i:C-H-N-O-S,52.0,A2B7CD2E_aP52_2_4i_14i_2i_4i_2i:C-H-N-O-S +mp-1201146,H6CSN2O,-5.6455677539,-0.6145541002,0.032372765,0.032372765,GGA,P2_1/c,AB6C2DE_mP44_14_e_6e_2e_e_e:C-H-N-O-S,44.0,AB6C2DE_mP44_14_e_6e_2e_e_e:C-H-N-O-S +mp-1205249,H13C4S2NO6,-5.6236607913,-0.7271366575,0.2331732868,0.2331732868,GGA,P2_1/c,A4B13CD6E2_mP104_14_4e_13e_e_6e_2e:C-H-N-O-S,104.0,A4B13CD6E2_mP104_14_4e_13e_e_6e_2e:C-H-N-O-S +mp-721301,H4CS(NO)3,-6.1106245304,-0.5451603264,0.3952230174,0.3952230174,GGA,C2/c,AB4C3D3E_mC96_15_f_4f_3f_3f_f:C-H-N-O-S,48.0,AB4C3D3E_mC96_15_f_4f_3f_3f_f:C-H-N-O-S +mp-1196312,H9C3S2NO3,-5.4557773560000005,-0.4741111518,0.3262589607,0.3262589607,GGA,P-1,A3B9CD3E2_aP72_2_6i_18i_2i_6i_4i:C-H-N-O-S,72.0,A3B9CD3E2_aP72_2_6i_18i_2i_6i_4i:C-H-N-O-S +mp-1196287,H12C6S(N5O3)2,-6.8138562952,-0.7205352415,0.0406373598,0.0406373598,GGA,P2_1/c,A6B12C10D6E_mP140_14_6e_12e_10e_6e_e:C-H-N-O-S,140.0,A6B12C10D6E_mP140_14_6e_12e_10e_6e_e:C-H-N-O-S +mp-735063,H7CSN3O4,-6.080772455,-0.9613701241,0.0426235459,0.0426235459,GGA,P2_1/c,AB7C3D4E_mP64_14_e_7e_3e_4e_e:C-H-N-O-S,64.0,AB7C3D4E_mP64_14_e_7e_3e_4e_e:C-H-N-O-S +mp-1204102,H12C4S2N2O5,-5.6529721892,-0.5607038832,0.3249567829,0.3249567829,GGA,P-1,A4B12C2D5E2_aP200_2_16i_48i_8i_20i_8i:C-H-N-O-S,200.0,A4B12C2D5E2_aP200_2_16i_48i_8i_20i_8i:C-H-N-O-S +mp-1197067,H7C2SNO,-5.2484523649,-0.2796151313,0.2878755176,0.2878755176,GGA,Pbca,A2B7CDE_oP96_61_2c_7c_c_c_c:C-H-N-O-S,96.0,A2B7CDE_oP96_61_2c_7c_c_c_c:C-H-N-O-S +mp-1194821,H12C2S(NO2)2,-5.5316035227,-0.7808302804,0.1093368318,0.1093368318,GGA,P2_1/c,A2B12C2D4E_mP168_14_4e_24e_4e_8e_2e:C-H-N-O-S,168.0,A2B12C2D4E_mP168_14_4e_24e_4e_8e_2e:C-H-N-O-S +mp-707928,H8C2S3(NO3)2,-5.7376429,-0.7680423732,0.3216374203,0.3216374203,GGA,P2/c,A2B8C2D6E3_mP84_13_2g_8g_2g_6g_ef2g:C-H-N-O-S,84.0,A2B8C2D6E3_mP84_13_2g_8g_2g_6g_ef2g:C-H-N-O-S +mp-1196498,H27C9S2N3O5,-5.5474961117,-0.4892913136,0.1224198026,0.1224198026,GGA,P2_1/c,A9B27C3D5E2_mP184_14_9e_27e_3e_5e_2e:C-H-N-O-S,184.0,A9B27C3D5E2_mP184_14_9e_27e_3e_5e_2e:C-H-N-O-S +mp-1200336,H9C3S3NO5,-5.5516875631,-0.6136009457,0.3664247611,0.3664247611,GGA,P2_1/c,A3B9CD5E3_mP84_14_3e_9e_e_5e_3e:C-H-N-O-S,84.0,A3B9CD5E3_mP84_14_3e_9e_e_5e_3e:C-H-N-O-S +mp-1190428,HgH10C2(SO4)2,-5.3699259726,-0.9988528759,0.2355432279,0.2355432279,GGA,P-1,A2B10CD8E2_aP23_2_i_5i_a_4i_i:C-H-Hg-O-S,23.0,A2B10CD8E2_aP23_2_i_5i_a_4i_i:C-H-Hg-O-S +mp-1212675,H7C2SN5O3,-6.2767770521,-0.5620323895,0.2051842784,0.2051842784,GGA,P2_1/c,A2B7C5D3E_mP72_14_2e_7e_5e_3e_e:C-H-N-O-S,72.0,A2B7C5D3E_mP72_14_2e_7e_5e_3e_e:C-H-N-O-S +mp-1196947,H12C5S2N2O5,-5.8200345594,-0.5686740539,0.2829227404,0.2829227404,GGA,P-1,A5B12C2D5E2_aP52_2_5i_12i_2i_5i_2i:C-H-N-O-S,52.0,A5B12C2D5E2_aP52_2_5i_12i_2i_5i_2i:C-H-N-O-S +mp-1197279,HgH12C12S2(NO2)2,-6.2701955302,-0.3158614925,0.2735787723,0.2735787723,GGA,I4_1/acd,A12B12CD2E4F2_tI528_142_6g_6g_c_g_2g_g:C-H-Hg-N-O-S,264.0,A12B12CD2E4F2_tI528_142_6g_6g_c_g_2g_g:C-H-Hg-N-O-S +mp-1203082,H16C3S3(N3O)2,-5.6882210313,-0.5451773723000001,0.0329541216,0.0329541216,GGA,C2/c,A3B16C6D2E3_mC120_15_ef_8f_3f_f_ef:C-H-N-O-S,60.0,A3B16C6D2E3_mC120_15_ef_8f_3f_f_ef:C-H-N-O-S +mp-1195319,H6C3S(NO)2,-6.2492199246,-0.6245649327,0.0983444107,0.0983444107,GGA,P2_1/c,A3B6C2D2E_mP56_14_3e_6e_2e_2e_e:C-H-N-O-S,56.0,A3B6C2D2E_mP56_14_3e_6e_2e_2e_e:C-H-N-O-S +mp-1203109,H8C3S3N4O5,-6.1020796704,-0.6535328142,0.2592259418,0.2592259418,GGA,Cc,A3B8C4D5E3_mC92_9_3a_8a_4a_5a_3a:C-H-N-O-S,46.0,A3B8C4D5E3_mC92_9_3a_8a_4a_5a_3a:C-H-N-O-S +mp-1203194,H19C6S2(NO2)5,-5.7619282546,-0.5415461289,0.4434029028,0.4434029028,GGA,P-1,A6B19C5D10E2_aP84_2_6i_ae18i_5i_10i_2i:C-H-N-O-S,84.0,A6B19C5D10E2_aP84_2_6i_ae18i_5i_10i_2i:C-H-N-O-S +mp-1212740,H8C3S(N3O2)2,-6.6280290966,-0.7748482284,0.0218612082,0.0218612082,GGA,C2/c,A3B8C6D4E_mC176_15_3f_8f_6f_4f_f:C-H-N-O-S,,A3B8C6D4E_mC176_15_3f_8f_6f_4f_f:C-H-N-O-S +mp-695436,H24C8S(NO2)2,-5.4433096623,-0.4214905961,0.1580149952,0.1580149952,GGA,P1,A8B24C2D4E_aP156_1_32a_96a_8a_16a_4a:C-H-N-O-S,156.0,A8B24C2D4E_aP156_1_32a_96a_8a_16a_4a:C-H-N-O-S +mp-707249,H24C8S(NO2)2,-5.4452134824,-0.4233944162,0.156111175,0.156111175,GGA,P4_2/nmc,A8B24C2D4E_tP78_137_2g_2g2h_d_g_a:C-H-N-O-S,78.0,A8B24C2D4E_tP78_137_2g_2g2h_d_g_a:C-H-N-O-S +mp-1200273,H21C7S3N3O8,-5.6288274792,-0.5612024921000001,0.2980632779,0.2980632779,GGA,P2_1/c,A7B21C3D8E3_mP168_14_7e_21e_3e_8e_3e:C-H-N-O-S,168.0,A7B21C3D8E3_mP168_14_7e_21e_3e_8e_3e:C-H-N-O-S +mp-1212569,H6C2SN3O2,-6.1765773823,-0.6156488595,0.1269363061,0.1269363061,GGA,C2/c,A2B6C3D2E_mC112_15_2f_6f_3f_2f_f:C-H-N-O-S,56.0,A2B6C3D2E_mC112_15_2f_6f_3f_2f_f:C-H-N-O-S +mp-1212610,H9C3SN4O3,-6.231179313,-0.7040279838,0.057906577,0.057906577,GGA,P-1,A3B9C4D3E_aP40_2_3i_9i_4i_3i_i:C-H-N-O-S,40.0,A3B9C4D3E_aP40_2_3i_9i_4i_3i_i:C-H-N-O-S +mp-1238409,H9C3SN4O3,-6.2276112625,-0.7004599333,0.0614746275,0.0614746275,GGA,P-1,A3B9C4D3E_aP40_2_3i_9i_4i_3i_i:C-H-N-O-S,40.0,A3B9C4D3E_aP40_2_3i_9i_4i_3i_i:C-H-N-O-S +mp-1192951,ReS2NO9,-6.7806091712,-1.12106146,0.5093340528,0.5093340528,GGA,P-1,AB9CD2_aP26_2_i_9i_i_2i:N-O-Re-S,26.0,AB9CD2_aP26_2_i_9i_i_2i:N-O-Re-S +mp-1225532,K2Re3S4O7,-6.4458167406,-0.7753792472000001,1.0740962182,1.0740962182,GGA,P-1,A2B7C3D4_aP32_2_2i_7i_3i_4i:K-O-Re-S,32.0,A2B7C3D4_aP32_2_2i_7i_3i_4i:K-O-Re-S +mp-680277,Re2C9S3O8,-8.1804663355,-0.9109252858,0.2527828824,0.2527828824,GGA,P-1,A9B8C2D3_aP44_2_9i_8i_2i_3i:C-O-Re-S,44.0,"Invalid WP multiplicities - A9B8C2D3_aP44_2_18i_14i_3i_4i:C-O-Re-S, expected Re3C18(S2O7)2 to be Re2C9S3O8" +mp-1219829,ReS8NO2,-5.14668554,0.1671476656,0.7739113824,0.7739113824,GGA,P-1,AB2CD8_aP24_2_i_2i_i_8i:N-O-Re-S,24.0,AB2CD8_aP24_2_i_2i_i_8i:N-O-Re-S +mp-540813,K3ReC4(N2O)2,-7.6040087971,-0.7518842887,0.1048873569,0.1048873569,GGA,P-1,A4B3C4D2E_aP14_2_2i_bi_2i_i_c:C-K-N-O-Re,14.0,A4B3C4D2E_aP14_2_2i_bi_2i_i_c:C-K-N-O-Re +mp-1105275,K3ReC4(N2O)2,-7.5179080386,-0.6657835301,0.1909881155,0.1909881155,GGA,P-1,A4B3C4D2E_aP14_2_2i_ai_2i_i_b:C-K-N-O-Re,14.0,A4B3C4D2E_aP14_2_2i_ai_2i_i_b:C-K-N-O-Re +mp-1180891,K3ReC4(N2O)2,-7.3457937571,-0.4936692487,0.3631023969,0.3631023969,GGA,P-1,A4B3C4D2E_aP14_2_2i_ai_2i_i_b:C-K-N-O-Re,14.0,"Invalid WP multiplicities - A4B3C4D2E_aP14_2_3i_ai_4i_i_b:C-K-N-O-Re, expected K3ReC6(N4O)2 to be K3ReC4(N2O)2" +mp-1180896,K3ReC4(N2O)2,-7.3745336943,-0.5224091858000001,0.3343624598,0.3343624598,GGA,P-1,A4B3C4D2E_aP14_2_2i_ai_2i_i_b:C-K-N-O-Re,14.0,"Invalid WP multiplicities - A4B3C4D2E_aP14_2_3i_ai_4i_i_b:C-K-N-O-Re, expected K3ReC6(N4O)2 to be K3ReC4(N2O)2" +mp-1331066,K3ReC4(N2O)2,-5.3254356486,1.5266888599,2.3834605055,2.3834605055,GGA,P-1,A4B3C4D2E_aP14_2_2i_bi_2i_i_e:C-K-N-O-Re,14.0,"Invalid WP multiplicities - A4B3C4D2E_aP14_2_3i_bi_4i_i_e:C-K-N-O-Re, expected K3ReC6(N4O)2 to be K3ReC4(N2O)2" +mp-731948,KReC3SN3O,-7.5513908358,-0.0180362395,0.6515511293,0.6515511293,GGA,I4_1/a,A3BC3DEF_tI160_88_3f_f_3f_f_f_f:C-K-N-O-Re-S,80.0,A3BC3DEF_tI160_88_3f_f_3f_f_f_f:C-K-N-O-Re-S +mp-1223731,KRe3(SO)4,-7.2122927842,-0.980914883,0.6481136433,0.6481136433,GGA,P-1,AB4C3D4_aP24_2_i_4i_3i_4i:K-O-Re-S,24.0,AB4C3D4_aP24_2_i_4i_3i_4i:K-O-Re-S +mp-1210354,SrC2S2N2O3,-7.0754785043,-1.0822004887,0.3553341193,0.3553341193,GGA,P2_1/c,A2B2C3D2E_mP40_14_2e_2e_3e_2e_e:C-N-O-S-Sr,40.0,A2B2C3D2E_mP40_14_2e_2e_3e_2e_e:C-N-O-S-Sr +mp-559027,SrH12C4S4(NO4)2,-5.7796364376,-0.8728891159000001,0.305074198,0.305074198,GGA,P2_1/c,A4B12C2D8E4F_mP124_14_4e_12e_2e_8e_4e_e:C-H-N-O-S-Sr,124.0,"Invalid WP multiplicities - A4B12C2D8E4F_mP124_14_13e_46e_4e_27e_16e_e:C-H-N-O-S-Sr, expected SrH46C13S16N4O27 to be SrH12C4S4(NO4)2" +mp-1209405,SrH6C6S2N2O7,-6.8173654829,-1.1094257645,0.1269938334,0.1269938334,GGA,P2_1/c,A6B6C2D7E2F_mP96_14_6e_6e_2e_7e_2e_e:C-H-N-O-S-Sr,96.0,A6B6C2D7E2F_mP96_14_6e_6e_2e_7e_2e_e:C-H-N-O-S-Sr +mp-707312,SrH6C2S2N2O3,-6.0380870287,-1.0200160021,0.1114927564,0.1114927564,GGA,P2_1/c,A2B6C2D3E2F_mP64_14_2e_6e_2e_3e_2e_e:C-H-N-O-S-Sr,64.0,A2B6C2D3E2F_mP64_14_2e_6e_2e_3e_2e_e:C-H-N-O-S-Sr +mp-1197447,SrC4(SO)4,-6.1451803881,-0.3808181007,0.996284053,0.996284053,GGA,Pnma,A4B4C4D_oP52_62_2d_2cd_2d_c:C-O-S-Sr,52.0,A4B4C4D_oP52_62_2d_2cd_2d_c:C-O-S-Sr +mp-1201750,B13H27C6S3F4,-5.3204027561,-0.530535687,0.0354882736,0.0354882736,GGA,P-1,A13B6C4D27E3_aP212_2_26i_12i_8i_54i_6i:B-C-F-H-S,212.0,A13B6C4D27E3_aP212_2_26i_12i_8i_54i_6i:B-C-F-H-S +mp-1247811,B2H24PdC8(SF2)4,-4.7530249028,-0.3778962734,0.5047444866,0.5047444866,GGA,P1,A2B8C8D24EF4_aP94_1_4a_16a_16a_48a_2a_8a:B-C-F-H-Pd-S,94.0,A2B8C8D24EF4_aP94_1_4a_16a_16a_48a_2a_8a:B-C-F-H-Pd-S +mp-763238,Li2Cr2P4H3O16,-7.3038513067,-2.3370976691,0.0566546441,0.0566546441,GGA+U,P1,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Cr-H-Li-O-P,27.0,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Cr-H-Li-O-P +mp-778184,Li2V2P7HO24,-7.5207126585,-2.4653784769,0.0432503973,0.0432503973,GGA+U,P2_1/m,AB2C24D7E2_mP72_11_e_2e_2e11f_e3f_f:H-Li-O-P-V,72.0,"Invalid WP multiplicities - AB2C24D7E2_mP72_11_e_3e_4e21f_2e5f_f:H-Li-O-P-V, expected Li3V2P12HO46 to be Li2V2P7HO24" +mp-780492,Li4VP6(H4O11)2,-6.7467634051,-2.2304616348,0.0609817278,0.0609817278,GGA+U,P-1,A8B4C22D6E_aP41_2_4i_2i_11i_3i_a:H-Li-O-P-V,41.0,"Invalid WP multiplicities - A8B4C22D6E_aP41_2_7i_3i_21i_5i_a:H-Li-O-P-V, expected Li6VP10(HO3)14 to be Li4VP6(H4O11)2" +mp-849336,Li2V3P4(HO4)4,-7.3597801598,-2.3445836933,0.0371399781,0.0371399781,GGA+U,P2_1/c,A4B2C16D4E3_mP58_14_2e_e_8e_2e_ae:H-Li-O-P-V,58.0,"Invalid WP multiplicities - A4B2C16D4E3_mP58_14_5e_e_29e_5e_2a2e:H-Li-O-P-V, expected LiV3P5H5O29 to be Li2V3P4(HO4)4" +mp-774186,LiVP2H5O9,-6.67997723,-2.052018198,0.0482211084,0.0482211084,GGA+U,Pna2_1,A5BC9D2E_oP72_33_5a_a_9a_2a_a:H-Li-O-P-V,72.0,"Invalid WP multiplicities - A5BC9D2E_oP72_33_19a_a_36a_8a_a:H-Li-O-P-V, expected LiVP8H19O36 to be LiVP2H5O9" +mp-1203841,LiVPH4O7,-6.651074505,-2.0365133191,0.0480925385,0.0480925385,GGA+U,Cmce,A4BC7DE_oC112_64_2g_f_d2f2g_e_f:H-Li-O-P-V,56.0,A4BC7DE_oC112_64_2g_f_d2f2g_e_f:H-Li-O-P-V +mp-753865,LiVP2HO7,-7.4501936954,-2.4636119476,0.0449529014,0.0449529014,GGA+U,P-1,ABC7D2E_aP24_2_i_i_7i_2i_i:H-Li-O-P-V,48.0,ABC7D2E_aP24_2_i_i_7i_2i_i:H-Li-O-P-V +mp-759865,LiVCrP2(HO5)2,-7.5632671825,-2.4029836165000003,0.0140808181,0.0140808181,GGA+U,P1,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Cr-H-Li-O-P-V,51.0,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Cr-H-Li-O-P-V +mp-759891,LiVCrP2(HO5)2,-7.5633177891,-2.4030342231,0.0140302116,0.0140302116,GGA+U,P1,AB2CD10E2F_aP68_1_4a_8a_4a_40a_8a_4a:Cr-H-Li-O-P-V,68.0,AB2CD10E2F_aP68_1_4a_8a_4a_40a_8a_4a:Cr-H-Li-O-P-V +mp-760186,LiVCrP2(HO5)2,-7.5624464463,-2.4021628802,0.0149015544,0.0149015544,GGA+U,P1,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Cr-H-Li-O-P-V,51.0,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Cr-H-Li-O-P-V +mp-765311,LiVCrP2(HO5)2,-7.5663585965,-2.4060750304000003,0.0109894042,0.0109894042,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V,34.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V +mp-801332,LiVCrP2(HO5)2,-4.3445255082,0.8157580578,3.2328224925,3.2328224925,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V,17.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V +mp-1386193,LiVCrP2(HO5)2,-4.4988347988,0.6614487672,3.0785132019,3.0785132019,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V,17.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Cr-H-Li-O-P-V +mp-759502,LiVCrP2(HO5)2,-7.5630259376,-2.4027423716,0.014322063,0.014322063,GGA+U,P-1,AB2CD10E2F_aP34_2_be_2i_i_10i_2i_i:Cr-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_be_3i_i_19i_3i_i:Cr-H-Li-O-P-V, expected LiVCrP3H3O19 to be LiVCrP2(HO5)2" +mp-759864,LiVCrP2(HO5)2,-7.5635009721,-2.403217406,0.0138470286,0.0138470286,GGA+U,P-1,AB2CD10E2F_aP34_2_i_2i_i_10i_2i_be:Cr-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_i_2i_i_16i_4i_be:Cr-H-Li-O-P-V, expected LiVCrP4(HO8)2 to be LiVCrP2(HO5)2" +mp-759013,LiVCrP2(HO5)2,-7.5610772709,-2.4007937049,0.0162707298,0.0162707298,GGA+U,P-1,AB2CD10E2F_aP34_2_ah_2i_i_10i_2i_cf:Cr-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_ah_3i_i_19i_3i_cf:Cr-H-Li-O-P-V, expected LiVCrP3H3O19 to be LiVCrP2(HO5)2" +mp-780488,LiCrP2H5O9,-6.6920256553,-2.0324476566,0.0356139027,0.0356139027,GGA+U,Pna2_1,AB5CD9E2_oP72_33_a_5a_a_9a_2a:Cr-H-Li-O-P,72.0,"Invalid WP multiplicities - AB5CD9E2_oP72_33_a_19a_a_36a_8a:Cr-H-Li-O-P, expected LiCrP8H19O36 to be LiCrP2H5O9" +mp-1177876,Li2V2P4H6O17,-7.0717578181,-2.2946954871,0.0137465126,0.0137465126,GGA+U,P-1,A6B2C17D4E2_aP62_2_6i_2i_17i_4i_2i:H-Li-O-P-V,62.0,"Invalid WP multiplicities - A6B2C17D4E2_aP62_2_11i_3i_33i_7i_3i:H-Li-O-P-V, expected Li3V3P7(HO3)11 to be Li2V2P4H6O17" +mp-778204,LiV3P3(HO6)2,-7.7314658981,-2.4197389828,0.0237076759,0.0237076759,GGA+U,C2/c,A2BC12D3E3_mC84_15_f_e_6f_ef_ef:H-Li-O-P-V,42.0,"Invalid WP multiplicities - A2BC12D3E3_mC84_15_f_e_21f_e2f_e2f:H-Li-O-P-V, expected LiV5P5(HO21)2 to be LiV3P3(HO6)2" +mp-756092,Li4Cr2P4H3O16,-7.1862985421,-2.4304297852,0.0334629784,0.0334629784,GGA+U,P1,A2B3C4D16E4_aP29_1_2a_3a_4a_16a_4a:Cr-H-Li-O-P,29.0,A2B3C4D16E4_aP29_1_2a_3a_4a_16a_4a:Cr-H-Li-O-P +mp-778976,LiVP4(H2O3)6,-6.4434021674,-1.9323147144,0.0577912065,0.0577912065,GGA+U,C2/c,A12BC18D4E_mC144_15_6f_e_9f_2f_e:H-Li-O-P-V,72.0,"Invalid WP multiplicities - A12BC18D4E_mC144_15_15f_e_25f_3f_e:H-Li-O-P-V, expected LiVP6(H3O5)10 to be LiVP4(H2O3)6" +mp-775207,Li4CrP6(H4O11)2,-6.7469374137,-2.2167541458,0.061319226,0.061319226,GGA+U,P-1,AB8C4D22E6_aP41_2_a_4i_2i_11i_3i:Cr-H-Li-O-P,41.0,"Invalid WP multiplicities - AB8C4D22E6_aP41_2_a_7i_3i_21i_5i:Cr-H-Li-O-P, expected Li6CrP10(HO3)14 to be Li4CrP6(H4O11)2" +mp-759402,Li4CrP6(H4O11)2,-6.727996938,-2.1978136701,0.0802597016,0.0802597016,GGA+U,P2_1/c,AB8C4D22E6_mP82_14_a_4e_2e_11e_3e:Cr-H-Li-O-P,82.0,"Invalid WP multiplicities - AB8C4D22E6_mP82_14_a_13e_5e_41e_9e:Cr-H-Li-O-P, expected Li10CrP18(H13O41)2 to be Li4CrP6(H4O11)2" +mp-766011,Li3VCrP2(HO5)2,-7.2313832813,-2.41334821,0.0373939542,0.0373939542,GGA+U,P1,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V,38.0,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V +mp-802414,Li3VCrP2(HO5)2,-4.0830064911,0.7350285803000001,3.1857707445,3.1857707445,GGA+U,P1,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V,19.0,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V +mp-1374975,Li3VCrP2(HO5)2,-4.7452562205,0.0727788508,2.523521015,2.523521015,GGA+U,P1,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V,19.0,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Cr-H-Li-O-P-V +mp-780662,LiCrP3H8O13,-6.5045867673,-1.918023711,0.0924365813,0.0924365813,GGA+U,P-1,AB8CD13E3_aP52_2_be_8i_i_13i_3i:Cr-H-Li-O-P,52.0,"Invalid WP multiplicities - AB8CD13E3_aP52_2_be_15i_i_25i_5i:Cr-H-Li-O-P, expected LiCrP5(H3O5)5 to be LiCrP3H8O13" +mp-849450,LiCrP3H8O13,-6.547568269,-1.9610052128,0.0494550796,0.0494550796,GGA+U,P-1,AB8CD13E3_aP52_2_i_8i_bc_13i_3i:Cr-H-Li-O-P,52.0,"Invalid WP multiplicities - AB8CD13E3_aP52_2_i_15i_bc_25i_5i:Cr-H-Li-O-P, expected LiCrP5(H3O5)5 to be LiCrP3H8O13" +mp-779915,LiVPH2O5,-6.9488270966000005,-2.1563243877,0.0928104105,0.0928104105,GGA+U,Pca2_1,A2BC5DE_oP80_29_4a_2a_10a_2a_2a:H-Li-O-P-V,80.0,A2BC5DE_oP80_29_8a_4a_20a_4a_4a:H-Li-O-P-V +mp-780300,Li2VP4(H2O3)6,-6.4190742686,-1.9783155883,0.0292403681,0.0292403681,GGA+U,P2_1/m,A12B2C18D4E_mP74_11_6f_2e_4e7f_2f_e:H-Li-O-P-V,74.0,"Invalid WP multiplicities - A12B2C18D4E_mP74_11_11f_3e_7e14f_3f_e:H-Li-O-P-V, expected Li3VP6H22O35 to be Li2VP4(H2O3)6" +mp-850740,Li2V3P4H4O19,-7.3681237905,-2.359349926,0.0603725204,0.0603725204,GGA+U,Pc,A4B2C19D4E3_mP64_7_4a_2a_19a_4a_3a:H-Li-O-P-V,64.0,"Invalid WP multiplicities - A4B2C19D4E3_mP64_7_8a_2a_38a_8a_3a:H-Li-O-P-V, expected Li2V3P8(H4O19)2 to be Li2V3P4H4O19" +mp-759803,Li2VCrP2(HO5)2,-7.4468963409,-2.4672439249,0.001232968,-0.0017169072,GGA+U,P1,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Cr-H-Li-O-P-V,54.0,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Cr-H-Li-O-P-V +mp-759811,Li2VCrP2(HO5)2,-7.4461826442,-2.4665302281,0.0019466647,-0.0010032104,GGA+U,P-1,AB2C2D10E2F_aP36_2_ah_2i_2i_10i_2i_cf:Cr-H-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C2D10E2F_aP36_2_ah_3i_3i_19i_3i_cf:Cr-H-Li-O-P-V, expected Li3VCrP3H3O19 to be Li2VCrP2(HO5)2" +mp-758399,Li2VCrP2(HO5)2,-7.4468697493,-2.4672173332,0.0012595596,-0.0016903155,GGA+U,P-1,AB2C2D10E2F_aP54_2_ai_3i_3i_15i_3i_ci:Cr-H-Li-O-P-V,54.0,"Invalid WP multiplicities - AB2C2D10E2F_aP54_2_ai_5i_5i_29i_5i_ci:Cr-H-Li-O-P-V, expected Li10V3Cr3P10(H5O29)2 to be Li2VCrP2(HO5)2" +mp-753446,Li2VCrP2(HO5)2,-7.4453760261,-2.46572361,0.0027532828,-0.0001965924,GGA+U,P-1,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Cr-H-Li-O-P-V,36.0,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Cr-H-Li-O-P-V +mp-753660,Li2VCrP2(HO5)2,-7.4481293089,-2.4684768928,0.0,-0.0029498751,GGA+U,P-1,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Cr-H-Li-O-P-V,18.0,"Invalid WP multiplicities - AB2C2D10E2F_aP18_2_a_i_i_9i_i_b:Cr-H-Li-O-P-V, expected Li2VCrP2(HO9)2 to be Li2VCrP2(HO5)2" +mp-759948,Li2VCrP2(HO5)2,-7.4420785422,-2.4624261262,0.0060507667,0.0031008915,GGA+U,P-1,AB2C2D10E2F_aP36_2_af_2i_2i_10i_2i_ch:Cr-H-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C2D10E2F_aP36_2_af_3i_3i_19i_3i_ch:Cr-H-Li-O-P-V, expected Li3VCrP3H3O19 to be Li2VCrP2(HO5)2" +mp-759005,Li2VCrP2(HO5)2,-7.4368051054,-2.4571526893,0.0113242035,0.0083743284,GGA+U,P-1,AB2C2D10E2F_aP54_2_ai_3i_3i_15i_3i_ci:Cr-H-Li-O-P-V,54.0,"Invalid WP multiplicities - AB2C2D10E2F_aP54_2_ai_5i_5i_29i_5i_ci:Cr-H-Li-O-P-V, expected Li10V3Cr3P10(H5O29)2 to be Li2VCrP2(HO5)2" +mp-760167,Li2VCrP2(HO5)2,-7.4458822965,-2.4662298804,0.0022470124,-0.0007028627,GGA+U,P-1,AB2C2D10E2F_aP54_2_ai_3i_3i_15i_3i_ci:Cr-H-Li-O-P-V,54.0,"Invalid WP multiplicities - AB2C2D10E2F_aP54_2_a2i_5i_4i_29i_4i_c2i:Cr-H-Li-O-P-V, expected Li8V5Cr5P8(H5O29)2 to be Li2VCrP2(HO5)2" +mp-850399,LiVPHO5,-7.3637933644,-2.415759915,0.0758524931,0.0581340131,GGA+U,P-1,ABC5DE_aP18_2_i_ab_5i_i_i:H-Li-O-P-V,36.0,ABC5DE_aP18_2_i_ab_5i_i_i:H-Li-O-P-V +mp-753560,LiVPHO5,-7.4396458575,-2.4916124081,0.0,-0.01771848,GGA+U,P-1,ABC5DE_aP18_2_i_i_5i_i_ab:H-Li-O-P-V,36.0,"Invalid WP multiplicities - ABC5DE_aP18_2_i_i_5i_i_2ab:H-Li-O-P-V, expected Li2V3P2(HO5)2 to be LiVPHO5" +mp-781014,LiVP2HO8,-7.4631588662,-2.4796458135,0.0501406133,0.0501406133,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-775948,LiVP2HO8,-7.4667105773,-2.4831975246,0.0465889022,0.0465889022,GGA+U,P1,ABC8D2E_aP26_1_2a_2a_16a_4a_2a:H-Li-O-P-V,26.0,ABC8D2E_aP26_1_2a_2a_16a_4a_2a:H-Li-O-P-V +mp-808857,LiVP2HO8,-6.3028253575,-1.3193123048,1.210474122,1.210474122,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-780482,LiVP2HO8,-7.4641106377,-2.480597585,0.0491888418,0.0491888418,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-780485,LiVP2HO8,-7.4671002521,-2.4835871994,0.0461992274,0.0461992274,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-780630,LiVP2HO8,-7.4656482206,-2.4821351679,0.0476512589,0.0476512589,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-779449,LiVP2HO8,-7.4629028546,-2.4793898019,0.0503966249,0.0503966249,GGA+U,P1,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V,52.0,ABC8D2E_aP52_1_4a_4a_32a_8a_4a:H-Li-O-P-V +mp-779447,LiVP2HO8,-7.4452749608,-2.4617619081,0.0680245187,0.0680245187,GGA+U,P2_1,ABC8D2E_mP52_4_2a_2a_16a_4a_2a:H-Li-O-P-V,52.0,"Invalid WP multiplicities - ABC8D2E_mP52_4_3a_3a_32a_6a_3a:H-Li-O-P-V, expected Li3V3P6H3O32 to be LiVP2HO8" +mp-780110,LiVP2HO8,-7.4671715177,-2.483658465,0.0461279618,0.0461279618,GGA+U,P2_1,ABC8D2E_mP52_4_2a_2a_16a_4a_2a:H-Li-O-P-V,52.0,"Invalid WP multiplicities - ABC8D2E_mP52_4_3a_4a_32a_6a_3a:H-Li-O-P-V, expected Li4V3P6H3O32 to be LiVP2HO8" +mp-779021,LiVP2HO8,-7.4649443008,-2.4814312481,0.0483551787,0.0483551787,GGA+U,P2_1,ABC8D2E_mP52_4_2a_2a_16a_4a_2a:H-Li-O-P-V,52.0,"Invalid WP multiplicities - ABC8D2E_mP52_4_4a_2a_32a_8a_2a:H-Li-O-P-V, expected LiVP4(HO8)2 to be LiVP2HO8" +mp-775930,LiVP2HO8,-7.4680197635,-2.4845067108,0.045279716,0.045279716,GGA+U,P2_1,ABC8D2E_mP26_4_a_a_8a_2a_a:H-Li-O-P-V,26.0,"Invalid WP multiplicities - ABC8D2E_mP26_4_a_a_16a_2a_a:H-Li-O-P-V, expected LiVP2HO16 to be LiVP2HO8" +mp-1576561,LiVP2HO8,-7.4693749873,-2.4858619346,0.0439244922,0.0439244922,GGA+U,Pc,ABC8D2E_mP26_7_a_a_8a_2a_a:H-Li-O-P-V,26.0,"Invalid WP multiplicities - ABC8D2E_mP26_7_a_a_16a_4a_a:H-Li-O-P-V, expected LiVP4HO16 to be LiVP2HO8" +mp-780313,LiVP3(H7O8)2,-6.1995472456,-1.8030352322,0.0366691458,0.0366691458,GGA+U,P1,A14BC16D3E_aP70_1_28a_2a_32a_6a_2a:H-Li-O-P-V,70.0,A14BC16D3E_aP70_1_28a_2a_32a_6a_2a:H-Li-O-P-V +mp-758903,Li2VP4(H4O5)4,-6.2583408587000005,-1.891541957,0.0147811712,0.0147811712,GGA+U,P2_1/c,A16B2C20D4E_mP86_14_8e_e_10e_2e_a:H-Li-O-P-V,86.0,"Invalid WP multiplicities - A16B2C20D4E_mP86_14_31e_e_37e_3e_a:H-Li-O-P-V, expected Li2VP6(H31O37)2 to be Li2VP4(H4O5)4" +mp-755739,Li3VP2HO8,-7.0992870257,-2.5257193311,0.040697833,0.040697833,GGA+U,P-1,AB3C8D2E_aP15_2_c_ai_4i_i_b:H-Li-O-P-V,60.0,AB3C8D2E_aP15_2_c_ai_4i_i_b:H-Li-O-P-V +mp-831190,Li2V2P2(H4O5)3,-6.3815119867,-1.9049875595,0.0368255814,0.0368255814,GGA+U,C2/c,A12B2C15D2E2_mC132_15_6f_f_e7f_f_f:H-Li-O-P-V,66.0,"Invalid WP multiplicities - A12B2C15D2E2_mC132_15_18f_f_2e26f_f_f:H-Li-O-P-V, expected LiVP(H2O3)9 to be Li2V2P2(H4O5)3" +mp-780941,LiV2P4(HO8)2,-7.5102426568,-2.4037459967,0.0512295134,0.0512295134,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-807825,LiV2P4(HO8)2,-1.076841416,4.0296552441,6.4846307542,6.4846307542,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-850750,LiV2P4(HO8)2,-7.509414486,-2.4029178259,0.0520576842,0.0520576842,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-778672,LiV2P4(HO8)2,-7.5077973306,-2.4013006705,0.0536748396,0.0536748396,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-780471,LiV2P4(HO8)2,-7.5070890346,-2.4005923745,0.0543831356,0.0543831356,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-780479,LiV2P4(HO8)2,-7.5082275447,-2.4017308845,0.0532446255,0.0532446255,GGA+U,P1,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V,75.0,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V +mp-779002,LiV2P4(HO8)2,-7.5104030088,-2.4039063487,0.0510691614,0.0510691614,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-807730,LiV2P4(HO8)2,-1.0506134414,4.0558832187,6.5108587288,6.5108587288,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-850229,LiV2P4(HO8)2,-7.5051108884,-2.3986142283,0.0563612818,0.0563612818,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-779208,LiV2P4(HO8)2,-7.5078948563,-2.4013981961,0.0535773139,0.0535773139,GGA+U,P1,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V,75.0,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V +mp-850888,LiV2P4(HO8)2,-7.5070450373,-2.4005483772,0.0544271328,0.0544271328,GGA+U,P1,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V,75.0,A2BC16D4E2_aP75_1_6a_3a_48a_12a_6a:H-Li-O-P-V +mp-1176644,LiV2P4(HO8)2,-7.505864039,-2.3993673789,0.0556081312,0.0556081312,GGA+U,P1,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V,50.0,A2BC16D4E2_aP50_1_4a_2a_32a_8a_4a:H-Li-O-P-V +mp-779485,LiV2P4(HO8)2,-7.507438703,-2.4009420429,0.0540334672,0.0540334672,GGA+U,P2_1,A2BC16D4E2_mP50_4_2a_a_16a_4a_2a:H-Li-O-P-V,50.0,"Invalid WP multiplicities - A2BC16D4E2_mP50_4_3a_a_32a_6a_3a:H-Li-O-P-V, expected LiV3P6H3O32 to be LiV2P4(HO8)2" +mp-779883,LiV2P4(HO8)2,-7.508585953,-2.4020892929,0.0528862172,0.0528862172,GGA+U,P2_1,A2BC16D4E2_mP50_4_2a_a_16a_4a_2a:H-Li-O-P-V,50.0,"Invalid WP multiplicities - A2BC16D4E2_mP50_4_2a_a_32a_6a_2a:H-Li-O-P-V, expected LiV2P6(HO16)2 to be LiV2P4(HO8)2" +mp-779314,Li2CrPHO5,-7.029933922,-2.3288973909,0.0811953564,0.0811953564,GGA+U,P-1,ABC2D5E_aP20_2_ab_i_2i_5i_i:Cr-H-Li-O-P,40.0,"Invalid WP multiplicities - ABC2D5E_aP20_2_2ab_i_2i_5i_i:Cr-H-Li-O-P, expected Li4Cr3P2(HO5)2 to be Li2CrPHO5" +mp-753051,LiCrPHO5,-7.45071301,-2.4394416273,0.0,-0.0255550989,GGA+U,P-1,ABCD5E_aP18_2_ab_i_i_5i_i:Cr-H-Li-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_ab_i_i_9i_i:Cr-H-Li-O-P, expected LiCrPHO9 to be LiCrPHO5" +mp-802351,Li3Cr2P4HO14,-6.0064474225,-1.0342623571,1.5264137634,1.5264137634,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Cr-H-Li-O-P,24.0,"Invalid WP multiplicities - A2BC3D14E4_aP24_2_i_a_e2i_13i_3i:Cr-H-Li-O-P, expected Li5Cr2P6HO26 to be Li3Cr2P4HO14" +mp-1348170,Li3Cr2P4HO14,-6.8649339471,-1.8927488817,0.6679272388,0.6679272388,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Cr-H-Li-O-P,24.0,"Invalid WP multiplicities - A2BC3D14E4_aP24_2_i_a_e2i_13i_3i:Cr-H-Li-O-P, expected Li5Cr2P6HO26 to be Li3Cr2P4HO14" +mp-755618,LiVP4(H2O7)2,-7.1364918442,-2.325217465,0.0153936269,0.0153936269,GGA+U,P-1,A4BC14D4E_aP24_2_2i_a_7i_2i_c:H-Li-O-P-V,24.0,"Invalid WP multiplicities - A4BC14D4E_aP24_2_3i_a_13i_3i_c:H-Li-O-P-V, expected LiVP6(H3O13)2 to be LiVP4(H2O7)2" +mp-755531,LiVP4(H2O7)2,-7.1180038162,-2.306729437,0.0338816548,0.0338816548,GGA+U,P-1,A4BC14D4E_aP24_2_2i_a_7i_2i_c:H-Li-O-P-V,48.0,A4BC14D4E_aP24_2_2i_a_7i_2i_c:H-Li-O-P-V +mp-1580008,LiVP4(H2O7)2,-7.1052049513,-2.293930572,0.0466805198,0.0466805198,GGA+U,P-1,A4BC14D4E_aP48_2_4i_i_14i_4i_be:H-Li-O-P-V,48.0,"Invalid WP multiplicities - A4BC14D4E_aP48_2_8i_i_28i_8i_be:H-Li-O-P-V, expected LiVP8(H2O7)4 to be LiVP4(H2O7)2" +mp-1647971,LiVP4(H2O7)2,-7.1056056144,-2.2943312352,0.0462798567,0.0462798567,GGA+U,P-1,A4BC14D4E_aP48_2_4i_i_14i_4i_bc:H-Li-O-P-V,48.0,"Invalid WP multiplicities - A4BC14D4E_aP48_2_6i_i_21i_6i_bc:H-Li-O-P-V, expected LiVP6(H2O7)3 to be LiVP4(H2O7)2" +mp-755270,LiCrP2HO7,-7.4597746762,-2.4257644784,0.0349498997,0.0349498997,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:Cr-H-Li-O-P,24.0,"Invalid WP multiplicities - ABCD7E2_aP24_2_i_i_i_13i_3i:Cr-H-Li-O-P, expected LiCrP3HO13 to be LiCrP2HO7" +mp-778168,LiV2P2HO9,-7.7601685393,-2.5057509082,0.0699784198,0.0699784198,GGA+U,P2_1/m,ABC9D2E2_mP30_11_e_e_5e2f_2e_ae:H-Li-O-P-V,30.0,"Invalid WP multiplicities - ABC9D2E2_mP30_11_e_e_9e4f_3e_ae:H-Li-O-P-V, expected LiV2P3HO17 to be LiV2P2HO9" +mp-752967,Li4V2P4H3O16,-7.1906338152,-2.4740161894,0.0268779411,0.0268779411,GGA+U,P1,A3B4C16D4E2_aP29_1_3a_4a_16a_4a_2a:H-Li-O-P-V,29.0,A3B4C16D4E2_aP29_1_3a_4a_16a_4a_2a:H-Li-O-P-V +mp-778901,LiCr3P3(HO6)2,-7.719148844,-2.3261160144,0.0462415452,0.0462415452,GGA+U,C2/c,A3B2CD12E3_mC84_15_ef_f_e_6f_ef:Cr-H-Li-O-P,42.0,"Invalid WP multiplicities - A3B2CD12E3_mC84_15_e2f_f_e_23f_e2f:Cr-H-Li-O-P, expected LiCr5P5(HO23)2 to be LiCr3P3(HO6)2" +mp-758721,LiV2P2H5O11,-7.038269435,-2.1677672413,0.0402520073,0.0402520073,GGA+U,P2_1/c,A5BC11D2E2_mP84_14_5e_e_11e_2e_2e:H-Li-O-P-V,84.0,"Invalid WP multiplicities - A5BC11D2E2_mP84_14_17e_e_41e_7e_7e:H-Li-O-P-V, expected LiV7P7H17O41 to be LiV2P2H5O11" +mp-774317,Li3VP2H2O9,-6.9817396788,-2.4556849627,0.0304130184,0.0304130184,GGA+U,C2/m,A2B3C9D2E_mC68_12_2i_fgi_5i2j_2i_e:H-Li-O-P-V,34.0,"Invalid WP multiplicities - A2B3C9D2E_mC68_12_3i_eg2i_9i4j_3i_f:H-Li-O-P-V, expected Li4VP3H3O17 to be Li3VP2H2O9" +mp-759552,Li2CrP4(H4O5)4,-6.2573836787,-1.8773489305,0.0152258354,0.0152258354,GGA+U,P2_1/c,AB16C2D20E4_mP86_14_a_8e_e_10e_2e:Cr-H-Li-O-P,86.0,"Invalid WP multiplicities - AB16C2D20E4_mP86_14_a_31e_e_37e_3e:Cr-H-Li-O-P, expected Li2CrP6(H31O37)2 to be Li2CrP4(H4O5)4" +mp-762840,Li3CrP2HO8,-7.09718935,-2.4856788954,0.0472319056,0.0472319056,GGA+U,P-1,ABC3D8E2_aP15_2_b_d_ai_4i_i:Cr-H-Li-O-P,60.0,ABC3D8E2_aP15_2_b_d_ai_4i_i:Cr-H-Li-O-P +mp-781961,LiCrPH2O5,-6.9645577728,-2.1151409238,0.0859022102,0.0859022102,GGA+U,P2_1/c,AB2CD5E_mP40_14_e_2e_e_5e_e:Cr-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_mP40_14_e_7e_e_9e_e:Cr-H-Li-O-P, expected LiCrPH7O9 to be LiCrPH2O5" +mp-780670,LiCrPH2O5,-6.971147801,-2.121730952,0.0793121819,0.0793121819,GGA+U,Pca2_1,AB2CD5E_oP80_29_2a_4a_2a_10a_2a:Cr-H-Li-O-P,80.0,AB2CD5E_oP80_29_4a_8a_4a_20a_4a:Cr-H-Li-O-P +mp-849467,LiCrPH2O5,-6.981350455,-2.131933606,0.0691095279,0.0691095279,GGA+U,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Cr-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Cr-H-Li-O-P, expected LiCrPH5O17 to be LiCrPH2O5" +mp-781013,Li3V2P4(HO8)2,-7.4019462754,-2.5323069333,0.0667488609,0.0195803774,GGA+U,P1,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V,54.0,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V +mp-777491,Li3V2P4(HO8)2,-7.4036476699,-2.5340083278,0.0650474664,0.0178789829,GGA+U,P1,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V,81.0,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V +mp-779902,Li3V2P4(HO8)2,-7.4044689967,-2.5348296546,0.0642261396,0.0170576561,GGA+U,P1,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V,54.0,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V +mp-850257,Li3V2P4(HO8)2,-7.4028474448,-2.5332081027,0.0658476915,0.018679208,GGA+U,P1,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V,54.0,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V +mp-857092,Li3V2P4(HO8)2,-2.2902595331,2.579379809,5.1784356031,5.1312671196,GGA+U,P1,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V,54.0,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V +mp-775982,Li3V2P4(HO8)2,-7.4686951363,-2.5990557942,0.0,-0.0471684835,GGA+U,P1,A2B3C16D4E2_aP27_1_2a_3a_16a_4a_2a:H-Li-O-P-V,54.0,"Invalid WP multiplicities - A2B3C16D4E2_aP27_1_2a_3a_16a_4a_4a:H-Li-O-P-V, expected Li3V4P4(HO8)2 to be Li3V2P4(HO8)2" +mp-1177492,Li3V2P4(HO8)2,-7.403805077,-2.5341657349,0.0648900593,0.0177215757,GGA+U,P1,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V,81.0,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V +mp-1177498,Li3V2P4(HO8)2,-7.3997645465,-2.5301252044,0.0689305898,0.0217621063,GGA+U,P1,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V,54.0,A2B3C16D4E2_aP54_1_4a_6a_32a_8a_4a:H-Li-O-P-V +mp-753630,Li3V2P4(HO8)2,-7.4005709974,-2.5309316553,0.0681241389,0.0209556554,GGA+U,P1,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V,81.0,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V +mp-1177507,Li3V2P4(HO8)2,-7.4044117821,-2.53477244,0.0642833542,0.0171148707,GGA+U,P1,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V,81.0,A2B3C16D4E2_aP81_1_6a_9a_48a_12a_6a:H-Li-O-P-V +mp-781078,Li3V2P4(HO8)2,-7.4050769552,-2.5354376131,0.0636181811,0.0164496976,GGA+U,P2_1,A2B3C16D4E2_mP54_4_2a_3a_16a_4a_2a:H-Li-O-P-V,54.0,"Invalid WP multiplicities - A2B3C16D4E2_mP54_4_2a_4a_32a_6a_2a:H-Li-O-P-V, expected Li2VP3HO16 to be Li3V2P4(HO8)2" +mp-780314,Li3V2P4(HO8)2,-7.404544128,-2.5349047859,0.0641510083,0.0169825248,GGA+U,P2_1,A2B3C16D4E2_mP54_4_2a_3a_16a_4a_2a:H-Li-O-P-V,54.0,"Invalid WP multiplicities - A2B3C16D4E2_mP54_4_3a_6a_32a_6a_3a:H-Li-O-P-V, expected Li6V3P6H3O32 to be Li3V2P4(HO8)2" +mp-780522,LiVP3H8O13,-6.5426504379,-1.9779774355,0.0547597587,0.0547597587,GGA+U,P-1,A8BC13D3E_aP52_2_8i_bc_13i_3i_i:H-Li-O-P-V,52.0,"Invalid WP multiplicities - A8BC13D3E_aP52_2_15i_bc_25i_5i_i:H-Li-O-P-V, expected LiVP5(H3O5)5 to be LiVP3H8O13" +mp-1210973,Li3Cr4PH3O16,-6.5716071352,-1.4205901536,0.5387221761000001,0.5387221761000001,GGA+U,Cm,A4B3C3D16E_mC54_8_2ab_ab_ab_4a6b_a:Cr-H-Li-O-P,27.0,A4B3C3D16E_mC54_8_2ab_ab_ab_4a6b_a:Cr-H-Li-O-P +mp-778674,Li2CrP4(H2O3)6,-6.4138220251,-1.9576811448,0.0338969852,0.0338969852,GGA+U,P2_1/m,AB12C2D18E4_mP74_11_e_6f_2e_4e7f_2f:Cr-H-Li-O-P,74.0,"Invalid WP multiplicities - AB12C2D18E4_mP74_11_e_11f_3e_7e14f_3f:Cr-H-Li-O-P, expected Li3CrP6H22O35 to be Li2CrP4(H2O3)6" +mp-849392,Li9V2P4HO18,-6.9778307641,-2.5826998578,0.0887223914,0.0887223914,GGA+U,Ima2,AB9C18D4E2_oI136_46_b_4a3bc_10b4c_4b_c:H-Li-O-P-V,68.0,"Invalid WP multiplicities - AB9C18D4E2_oI136_46_b_8a6b2c_20b9c_7b_c:H-Li-O-P-V, expected Li18V2P7HO38 to be Li9V2P4HO18" +mp-850751,LiVP2(HO4)2,-7.2695345811,-2.3996491718,0.0184072299,0.0184072299,GGA+U,Cc,A2BC8D2E_mC112_9_4a_2a_16a_4a_2a:H-Li-O-P-V,56.0,"Invalid WP multiplicities - A2BC8D2E_mC112_9_8a_4a_32a_7a_2a:H-Li-O-P-V, expected Li4V2P7(HO4)8 to be LiVP2(HO4)2" +mp-851103,LiVP2(HO4)2,-7.2088196875,-2.3389342782,0.0791221235,0.0791221235,GGA+U,Cc,A2BC8D2E_mC112_9_4a_2a_16a_4a_2a:H-Li-O-P-V,56.0,"Invalid WP multiplicities - A2BC8D2E_mC112_9_8a_2a_32a_7a_4a:H-Li-O-P-V, expected Li2V4P7(HO4)8 to be LiVP2(HO4)2" +mp-997534,LiVP2(HO4)2,-7.2318862544,-2.3620008451,0.0560555566,0.0560555566,GGA+U,C2/c,A2BC8D2E_mC168_15_3f_ef_12f_3f_cf:H-Li-O-P-V,84.0,"Invalid WP multiplicities - A2BC8D2E_hR252_167_f_2ac_27f_f_2b2c:H-Li-O-P-V, expected Li2V3P3(HO27)3 to be LiVP2(HO4)2" +mp-753087,LiVP2(HO4)2,-7.2847046121,-2.4148192029,0.0032371989,0.0032371989,GGA+U,P2_12_12,A2BC8D2E_oP28_18_c_a_4c_c_b:H-Li-O-P-V,28.0,"Invalid WP multiplicities - A2BC8D2E_oP28_18_c_a_8c_c_b:H-Li-O-P-V, expected LiVP2(HO8)2 to be LiVP2(HO4)2" +mp-759010,LiVP2(HO4)2,-7.2308564133,-2.360971004,0.0570853977,0.0570853977,GGA+U,R-3c,A2BC8D2E_hR252_167_f_ac_4f_f_bc:H-Li-O-P-V,84.0,"Invalid WP multiplicities - A2BC8D2E_hR252_167_f_2ac_27f_f_2b2c:H-Li-O-P-V, expected Li2V3P3(HO27)3 to be LiVP2(HO4)2" +mp-780736,Li2VP2HO8,-7.3102242095,-2.5463247415,0.0410743991,0.0410743991,GGA+U,P-1,AB2C8D2E_aP28_2_i_2i_8i_2i_i:H-Li-O-P-V,56.0,AB2C8D2E_aP28_2_i_2i_8i_2i_i:H-Li-O-P-V +mp-754990,Li2VP2HO8,-7.3503323016,-2.5864328336,0.000966307,0.000966307,GGA+U,P2_1,AB2C8D2E_mP28_4_a_2a_8a_2a_a:H-Li-O-P-V,56.0,AB2C8D2E_mP28_4_a_2a_8a_2a_a:H-Li-O-P-V +mp-778891,Li2VP4(HO2)8,-6.639139201,-2.0957911503,0.0521845357,0.0521845357,GGA+U,P-1,A8B2C16D4E_aP31_2_4i_i_8i_2i_a:H-Li-O-P-V,31.0,"Invalid WP multiplicities - A8B2C16D4E_aP31_2_7i_i_15i_3i_a:H-Li-O-P-V, expected Li2VP6(H7O15)2 to be Li2VP4(HO2)8" +mp-774386,Li2Cr3P4(HO4)4,-7.3658320191,-2.291758856,0.0320751486,0.0320751486,GGA+U,P2_1/c,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Cr-H-Li-O-P,58.0,"Invalid WP multiplicities - A3B4C2D16E4_mP58_14_2a2e_5e_e_29e_5e:Cr-H-Li-O-P, expected LiCr3P5H5O29 to be Li2Cr3P4(HO4)4" +mp-777547,Li2VPHO5,-7.018574901,-2.3744525099,0.0788472702,0.0788472702,GGA+U,P-1,AB2C5DE_aP20_2_i_2i_5i_i_ab:H-Li-O-P-V,20.0,"Invalid WP multiplicities - AB2C5DE_aP20_2_i_3i_9i_i_ab:H-Li-O-P-V, expected Li3VPHO9 to be Li2VPHO5" +mp-1275571,Li2VPHO5,-7.033575457,-2.3894530659,0.0638467142,0.0638467142,GGA+U,P-1,AB2C5DE_aP20_2_i_2i_5i_i_be:H-Li-O-P-V,40.0,"Invalid WP multiplicities - AB2C5DE_aP20_2_i_2i_5i_i_2be:H-Li-O-P-V, expected Li4V3P2(HO5)2 to be Li2VPHO5" +mp-759104,LiV3P2(HO3)4,-7.4240144483,-2.2913592299,0.0187409113,0.0187409113,GGA+U,P2_1/c,A4BC12D2E3_mP88_14_4e_e_12e_2e_3e:H-Li-O-P-V,88.0,"Invalid WP multiplicities - A4BC12D2E3_mP88_14_15e_e_45e_7e_9e:H-Li-O-P-V, expected LiV9P7(HO3)15 to be LiV3P2(HO3)4" +mp-1304966,LiVP3HO10,-7.5185907394,-2.5128188885,0.0523486316,0.0523486316,GGA+U,P1,ABC10D3E_aP16_1_a_a_10a_3a_a:H-Li-O-P-V,16.0,ABC10D3E_aP16_1_a_a_10a_3a_a:H-Li-O-P-V +mp-849441,LiVP3HO10,-7.4914045003,-2.4856326494,0.0795348707,0.0795348707,GGA+U,P-1,ABC10D3E_aP32_2_i_i_10i_3i_i:H-Li-O-P-V,32.0,"Invalid WP multiplicities - ABC10D3E_aP32_2_i_i_19i_5i_i:H-Li-O-P-V, expected LiVP5HO19 to be LiVP3HO10" +mp-780195,LiVP3HO10,-7.4816839131,-2.4759120622,0.0892554579,0.0892554579,GGA+U,P-1,ABC10D3E_aP32_2_i_i_10i_3i_i:H-Li-O-P-V,32.0,"Invalid WP multiplicities - ABC10D3E_aP32_2_i_i_19i_5i_i:H-Li-O-P-V, expected LiVP5HO19 to be LiVP3HO10" +mp-753170,LiVP3HO10,-7.4821987075,-2.4764268566,0.0887406635,0.0887406635,GGA+U,C2,ABC10D3E_mC32_5_a_b_5c_bc_a:H-Li-O-P-V,16.0,"Invalid WP multiplicities - ABC10D3E_mC32_5_a_b_9c_b2c_a:H-Li-O-P-V, expected LiVP5HO18 to be LiVP3HO10" +mp-849322,LiVP3HO10,-7.5292847366,-2.5235128857,0.0416546344,0.0416546344,GGA+U,P2/c,ABC10D3E_mP32_13_a_e_5g_fg_b:H-Li-O-P-V,32.0,"Invalid WP multiplicities - ABC10D3E_mP32_13_a_e_17g_2f3g_b:H-Li-O-P-V, expected LiVP8HO34 to be LiVP3HO10" +mp-774404,LiVP3HO10,-7.5045840209,-2.4988121701,0.0663553501,0.0663553501,GGA+U,C2/c,ABC10D3E_mC64_15_c_e_5f_ef_d:H-Li-O-P-V,32.0,"Invalid WP multiplicities - ABC10D3E_mC64_15_a_e_17f_e2f_b:H-Li-O-P-V, expected LiVP5HO34 to be LiVP3HO10" +mp-849372,LiVP3HO10,-7.5343971414,-2.5286252905,0.0365422296,0.0365422296,GGA+U,Pca2_1,ABC10D3E_oP64_29_a_a_10a_3a_a:H-Li-O-P-V,64.0,"Invalid WP multiplicities - ABC10D3E_oP64_29_a_a_37a_9a_a:H-Li-O-P-V, expected LiVP9HO37 to be LiVP3HO10" +mp-707039,ZnH20S2(NO7)2,-5.3258741694000005,-1.1383409373,0.1643861555,0.1643861555,GGA,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn,78.0,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn +mp-706284,ZnH20S2(NO7)2,-5.4899443644,-1.3024111323,0.0003159605,0.0003159605,GGA,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn,78.0,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn +mp-759665,ZnH20S2(NO7)2,-5.4168617663,-1.2293285342,0.0733985586,0.0733985586,GGA,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn,78.0,"Invalid WP multiplicities - A20B2C14D2E_mP78_14_37e_e_25e_e_a:H-N-O-S-Zn, expected ZnH74S2(NO25)2 to be ZnH20S2(NO7)2" +mp-696089,ZnH20S2(NO7)2,-5.4746678535,-1.2871346214,0.0155924714,0.0155924714,GGA,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn,78.0,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-Zn +mp-798760,CrH10S2(NO2)4,-5.3513510748,-0.360443193,0.8447672181,0.8447672181,GGA+U,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Cr-H-N-O-S,25.0,"Invalid WP multiplicities - AB10C4D8E2_aP25_2_a_9i_3i_7i_i:Cr-H-N-O-S, expected CrH18S2(N3O7)2 to be CrH10S2(NO2)4" +mp-1213738,CrS2NO8,-6.658443545,-1.1721142268,0.5614354204,0.5614354204,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Cr-N-O-S,12.0,ABC8D2_hP12_150_a_b_dg_d:Cr-N-O-S +mp-728691,CrH20S2(NO7)2,-5.7182553359,-1.3155091843,0.0116434519,0.0116434519,GGA+U,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cr-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cr-H-N-O-S +mp-1178614,ZnS2(NO2)4,-6.5950969933,-1.0982881444,0.1369732398,0.1369732398,GGA,P-1,A4B8C2D_aP15_2_2i_4i_i_a:N-O-S-Zn,15.0,A4B8C2D_aP15_2_2i_4i_i_a:N-O-S-Zn +mp-1246454,Cr2SN2,-8.501983918,-0.4788769866,0.2212580023,0.2212580023,GGA,P-3m1,A2B2C_hP5_164_d_d_a:Cr-N-S,5.0,A2B2C_hP5_164_d_d_a:Cr-N-S +mp-1216219,Zn3CrH80S8(NO7)8,-5.5385428154,-1.2972063535,0.0120727406,0.0120727406,GGA+U,P-1,AB80C8D56E8F3_aP156_2_b_40i_4i_28i_4i_cdh:Cr-H-N-O-S-Zn,156.0,"Invalid WP multiplicities - AB80C8D56E8F3_aP156_2_b_80i_8i_56i_8i_cdh:Cr-H-N-O-S-Zn, expected Zn3CrH160S16(NO7)16 to be Zn3CrH80S8(NO7)8" +mp-721082,CrH10SNO10,-5.9498781108,-1.3620459445,0.0875091843,0.0875091843,GGA+U,P2_1/c,AB10CD10E_mP92_14_e_10e_e_10e_e:Cr-H-N-O-S,92.0,AB10CD10E_mP92_14_e_10e_e_10e_e:Cr-H-N-O-S +mp-1246741,Cr4S3N2,-8.1406172756,-0.6190029055,0.2405390906,0.2405390906,GGA,C2/m,A4B2C3_mC18_12_2i_i_ai:Cr-N-S,9.0,A4B2C3_mC18_12_2i_i_ai:Cr-N-S +mp-1201663,ZnH12S2(NO2)4,-5.5054674292,-0.9438064931,0.1975896341,0.1975896341,GGA,Pna2_1,A12B4C8D2E_oP108_33_12a_4a_8a_2a_a:H-N-O-S-Zn,108.0,A12B4C8D2E_oP108_33_12a_4a_8a_2a_a:H-N-O-S-Zn +mp-1245739,VCoN2,-8.6755703725,-0.4592669438,0.2486849525,0.2486849525,GGA,P6_3/mmc,AB2C_hP8_194_a_f_c:Co-N-V,8.0,AB2C_hP8_194_a_f_c:Co-N-V +mp-1194044,V4Co2N,-8.9884037093,-0.5757244529000001,0.0,-0.0030538336,GGA,Fd-3m,A2BC4_cF112_227_e_c_df:Co-N-V,28.0,A2BC4_cF112_227_e_c_df:Co-N-V +mp-1178881,VCo2P2NO12,-7.0683502703,-1.4114665962,0.5734695786,0.5734695786,GGA+U,P1,A2BC12D2E_aP36_1_4a_2a_24a_4a_2a:Co-N-O-P-V,36.0,A2BC12D2E_aP36_1_4a_2a_24a_4a_2a:Co-N-O-P-V +mp-1203604,VCo2P2NO12,-7.513604415,-1.8567207409,0.1282154339,0.1282154339,GGA+U,Pmc2_1,A2BC12D2E_oP36_26_c_a_2a4b3c_ab_b:Co-N-O-P-V,36.0,A2BC12D2E_oP36_26_c_a_2a4b3c_ab_b:Co-N-O-P-V +mp-1246838,V2Co3N4,-8.4997333778,-0.4065394639,0.2239697783,0.2239697783,GGA,C2/c,A3B4C2_mC36_15_ef_2f_f:Co-N-V,18.0,A3B4C2_mC36_15_ef_2f_f:Co-N-V +mp-1182136,CoPH14N4O7,-5.2722393509,-0.5317732172,0.6199019229,0.6199019229,GGA+U,P2_1,AB14C4D7E_mP54_4_a_14a_4a_7a_a:Co-H-N-O-P,54.0,AB14C4D7E_mP54_4_a_14a_4a_7a_a:Co-H-N-O-P +mp-1245557,VCo7N4,-7.5751920171,0.1071505108,0.3705040587,0.3705040587,GGA,P-43n,A7B4C_cP96_218_bcefi_ei_ad:Co-N-V,96.0,A7B4C_cP96_218_bcefi_ei_ad:Co-N-V +mp-758833,CoPH16NO10,-5.6381699326,-1.3413209995,0.0331392304,0.0331392304,GGA+U,Pmn2_1,AB16CD10E_oP58_31_a_4a6b_a_4a3b_a:Co-H-N-O-P,58.0,"Invalid WP multiplicities - AB16CD10E_oP58_31_a_8a22b_a_8a10b_a:Co-H-N-O-P, expected CoPH52NO28 to be CoPH16NO10" +mp-1246063,V(CoN)4,-8.0227787783,-0.1490946728,0.1996060556,0.1996060556,GGA,P-1,A4B4C_aP18_2_4i_4i_i:Co-N-V,18.0,A4B4C_aP18_2_4i_4i_i:Co-N-V +mp-1199644,V3P6H14(NO8)3,-6.8794456768,-1.8602514423,0.1043438421,0.1043438421,GGA+U,P-1,A14B3C24D6E3_aP50_2_7i_bi_12i_3i_ei:H-N-O-P-V,50.0,A14B3C24D6E3_aP50_2_7i_bi_12i_3i_ei:H-N-O-P-V +mp-1216864,V2PH8(NO4)2,-6.6943197429,-1.6005377168,0.0413716708,0.0413716708,GGA+U,P1,A8B2C8DE2_aP42_1_16a_4a_16a_2a_4a:H-N-O-P-V,42.0,A8B2C8DE2_aP42_1_16a_4a_16a_2a_4a:H-N-O-P-V +mp-24300,CoP4H16(NO8)2,-6.2545892133,-1.6683032192,0.0,-0.0052280463,GGA+U,P-1,AB16C2D16E4_aP39_2_a_8i_i_8i_2i:Co-H-N-O-P,39.0,"Invalid WP multiplicities - AB16C2D16E4_aP39_2_a_11i_i_15i_2i:Co-H-N-O-P, expected CoP4H22(NO15)2 to be CoP4H16(NO8)2" +mp-728003,CoP2H17N4O9,-5.8705529444,-1.2197213179,0.0567064099,0.0567064099,GGA+U,P2_1/c,AB17C4D9E2_mP132_14_e_17e_4e_9e_2e:Co-H-N-O-P,132.0,AB17C4D9E2_mP132_14_e_17e_4e_9e_2e:Co-H-N-O-P +mp-1197105,VP2H4NO7,-7.0935531457,-1.9972377345,0.0,-0.0073677095,GGA+U,P2_1/c,A4BC7D2E_mP60_14_4e_e_7e_2e_e:H-N-O-P-V,60.0,A4BC7D2E_mP60_14_4e_e_7e_2e_e:H-N-O-P-V +mp-1272341,CoPH6NO5,-6.1757633034,-1.4651979425,0.0082689404,0.0082689404,GGA+U,Pm,AB6CD5E_mP56_6_2a2b_4a4b8c_2a2b_6a6b4c_2a2b:Co-H-N-O-P,56.0,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Co-H-N-O-P +mp-697560,CoPH6NO5,-6.1764139357,-1.4658485748,0.0076183081,0.0076183081,GGA+U,Pmn2_1,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Co-H-N-O-P,56.0,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Co-H-N-O-P +mp-1202160,CoPH6NO5,-6.1738995863,-1.4633342253,0.0101326576,0.0101326576,GGA+U,Pnma,AB6CD5E_oP56_62_c_2c2d_c_3cd_c:Co-H-N-O-P,56.0,AB6CD5E_oP56_62_c_2c2d_c_3cd_c:Co-H-N-O-P +mp-801544,VP2H8(NO4)2,-5.0379293279,-0.1189379477,1.5708051197,1.5708051197,GGA+U,Pba2,A8B2C8D2E_oP42_32_4c_c_ab3c_c_a:H-N-O-P-V,42.0,"Invalid WP multiplicities - A8B2C8D2E_oP42_32_13c_c_2a2b10c_c_a:H-N-O-P-V, expected VP2H26(NO12)2 to be VP2H8(NO4)2" +mp-765665,VP2H8(NO4)2,-6.5525258186,-1.6335344384,0.056208629,0.056208629,GGA+U,P4bm,A8B2C8D2E_tP42_100_2cd_c_abcd_c_a:H-N-O-P-V,42.0,"Invalid WP multiplicities - A8B2C8D2E_tP42_100_7c6d_c_2a2b4c6d_c_a:H-N-O-P-V, expected VP2H38(NO18)2 to be VP2H8(NO4)2" +mp-1182189,CoP3H16N4O11,-5.8142594726,-1.0887909709,0.3326621209,0.3326621209,GGA+U,P2_1,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P,70.0,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P +mp-1197638,CoP3H16N4O11,-6.0898097744,-1.3643412727,0.057111819,0.057111819,GGA+U,P2_1,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P,70.0,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P +mp-1238928,CoP3H16N4O11,-5.8447432169,-1.1192747152,0.3021783766,0.3021783766,GGA+U,P2_1,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P,70.0,AB16C4D11E3_mP70_4_a_16a_4a_11a_3a:Co-H-N-O-P +mp-727407,CoP3H16N4O11,-6.0895836405,-1.3641151388,0.057337953,0.057337953,GGA+U,P2_1/c,AB16C4D11E3_mP140_14_e_16e_4e_11e_3e:Co-H-N-O-P,140.0,AB16C4D11E3_mP140_14_e_16e_4e_11e_3e:Co-H-N-O-P +mp-1226671,Co2P3H11N2O9,-6.1345632672,-1.3579070503,0.1104645128,0.1104645128,GGA+U,P31c,A2B11C2D9E3_hP54_159_2b_2a3b2c_2b_3c_2ab:Co-H-N-O-P,54.0,A2B11C2D9E3_hP54_159_2b_2a3b2c_2b_3c_2ab:Co-H-N-O-P +mp-1208085,VCo2P2H3NO9,-6.7694083581,-1.3715184617,0.5780643384,0.5780643384,GGA+U,Pmc2_1,A2B3CD9E2F_oP36_26_c_ac_b_3a2b2c_ab_a:Co-H-N-O-P-V,36.0,A2B3CD9E2F_oP36_26_c_ac_b_3a2b2c_ab_a:Co-H-N-O-P-V +mp-1196775,CoP2H10(NO4)2,-6.1032076582,-1.4028301452,0.0992642531,0.0992642531,GGA+U,P2_1/c,AB10C2D8E2_mP92_14_e_10e_2e_8e_2e:Co-H-N-O-P,92.0,AB10C2D8E2_mP92_14_e_10e_2e_8e_2e:Co-H-N-O-P +mp-561736,CoP3H12NO7,-5.6087992828,-1.1494553762,0.1357310492,0.1357310492,GGA+U,P2_1/c,AB12CD7E3_mP96_14_e_12e_e_7e_3e:Co-H-N-O-P,96.0,"Invalid WP multiplicities - AB12CD7E3_mP96_14_e_45e_e_23e_11e:Co-H-N-O-P, expected CoP11H45NO23 to be CoP3H12NO7" +mp-1246070,VCo2N3,-8.4176588292,-0.3659877567,0.1306077542,0.1306077542,GGA,Cmc2_1,A2B3C_oC24_36_b_ab_a:Co-N-V,12.0,A2B3C_oC24_36_b_ab_a:Co-N-V +mp-1217404,V3P4H8N2O17,-7.1610692008,-1.9606740673,0.104256172,0.104256172,GGA+U,Pna2_1,A8B2C17D4E3_oP136_33_8a_2a_17a_4a_3a:H-N-O-P-V,136.0,"Invalid WP multiplicities - A8B2C17D4E3_oP136_33_18a_2a_47a_14a_3a:H-N-O-P-V, expected V3P14H18N2O47 to be V3P4H8N2O17" +mp-24174,V2CoP2(H4O7)2,-6.8525479919,-1.9452077968,0.001697775,0.001697775,GGA+U,I4/m,AB8C14D2E2_tI54_87_a_i_ehi_d_e:Co-H-O-P-V,27.0,AB8C14D2E2_tI54_87_a_i_ehi_d_e:Co-H-O-P-V +mp-775736,CoPH21N5O7,-5.5662327646000005,-0.9925709689,0.0175816184,0.0175816184,GGA+U,P2_1/c,AB21C5D7E_mP140_14_e_21e_5e_7e_e:Co-H-N-O-P,140.0,"Invalid WP multiplicities - AB21C5D7E_mP140_14_e_79e_17e_25e_e:Co-H-N-O-P, expected CoPH79N17O25 to be CoPH21N5O7" +mp-731924,VPH5NO6,-6.6521875796,-1.6895114372000002,0.0735326389,0.0735326389,GGA+U,Pca2_1,A5BC6DE_oP56_29_5a_a_6a_a_a:H-N-O-P-V,56.0,A5BC6DE_oP56_29_5a_a_6a_a_a:H-N-O-P-V +mp-1182407,CoP2H15N5O8,-5.5934853537,-0.7521370376000001,0.4817073421,0.4817073421,GGA+U,Cc,AB15C5D8E2_mC124_9_a_15a_5a_8a_2a:Co-H-N-O-P,62.0,AB15C5D8E2_mC124_9_a_15a_5a_8a_2a:Co-H-N-O-P +mp-759514,V2PH10NO11,-6.4372479397,-1.6269101059,0.0901199106,0.0901199106,GGA+U,P2_12_12_1,A10BC11DE2_oP100_19_10a_a_11a_a_2a:H-N-O-P-V,100.0,"Invalid WP multiplicities - A10BC11DE2_oP100_19_37a_a_41a_a_5a:H-N-O-P-V, expected V5PH37NO41 to be V2PH10NO11" +mp-1200029,Co3P4H48(NO15)2,-5.5801804494,-1.3169314292,0.0661719566,0.0661719566,GGA+U,C2/m,A3B48C2D30E4_mC174_12_ai_6i9j_i_5i5j_2i:Co-H-N-O-P,87.0,A3B48C2D30E4_mC174_12_ai_6i9j_i_5i5j_2i:Co-H-N-O-P +mp-1213814,CoPHNO4,-6.3670994181000005,-0.8623999035000001,0.9361306494,0.9361306494,GGA+U,Pmn2_1,ABCD4E_oP16_31_a_a_a_2ab_a:Co-H-N-O-P,16.0,ABCD4E_oP16_31_a_a_a_2ab_a:Co-H-N-O-P +mp-758131,VPH7N2O5,-6.4319842078,-1.4536889392,0.0306331633,0.0306331633,GGA+U,P2_1,A7B2C5DE_mP32_4_7a_2a_5a_a_a:H-N-O-P-V,32.0,"Invalid WP multiplicities - A7B2C5DE_mP32_4_13a_3a_9a_a_a:H-N-O-P-V, expected VPH13(NO3)3 to be VPH7N2O5" +mp-753646,VFeP2(HO5)2,-7.4483497613,-2.1587952928,0.0546787377,0.0546787377,GGA+U,P-1,AB2C10D2E_aP16_2_b_i_5i_i_e:Fe-H-O-P-V,32.0,AB2C10D2E_aP16_2_b_i_5i_i_e:Fe-H-O-P-V +mp-1200689,KFeP4(HO3)4,-6.3361102448,-1.6013466585,0.5676789335,0.5676789335,GGA+U,P2_1/c,AB4CD12E4_mP44_14_a_2e_c_6e_2e:Fe-H-K-O-P,44.0,AB4CD12E4_mP44_14_a_2e_c_6e_2e:Fe-H-K-O-P +mp-643841,KV2P2H4O13,-6.9347579573,-2.0264546152,0.1144248436,0.1144248436,GGA+U,P-1,A4BC13D2E2_aP22_2_2i_a_c6i_i_i:H-K-O-P-V,22.0,A4BC13D2E2_aP22_2_2i_a_c6i_i_i:H-K-O-P-V +mp-735046,KVPHO6,-7.2503781111,-2.3823315275,0.0,-0.0074488422,GGA+U,Pbca,ABC6DE_oP80_61_c_c_6c_c_c:H-K-O-P-V,80.0,ABC6DE_oP80_61_c_c_6c_c_c:H-K-O-P-V +mp-735566,KFe2P2H5O11,-6.7688156038,-1.9948035834,0.0006885062,0.0006885062,GGA+U,P2_1/c,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Fe-H-K-O-P,84.0,A2B5CD11E2_mP84_14_2e_5e_e_11e_2e:Fe-H-K-O-P +mp-720729,K3Fe3P4H2O17,-7.2180619076,-2.3465574014,0.0,-0.0060985295,GGA+U,Pnna,A3B2C3D17E4_oP116_52_de_e_ce_c8e_2e:Fe-H-K-O-P,116.0,A3B2C3D17E4_oP116_52_de_e_ce_c8e_2e:Fe-H-K-O-P +mp-1200218,K2Fe3P4(HO4)4,-7.136455505,-2.2398349839,0.0,-0.0006361735,GGA+U,P2_1/c,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Fe-H-K-O-P,58.0,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Fe-H-K-O-P +mp-758349,KFeP4(H2O7)2,-7.0152186127,-2.2627945993,0.0,-0.0130400998,GGA+U,P-1,AB4CD14E4_aP24_2_a_2i_c_7i_2i:Fe-H-K-O-P,96.0,AB4CD14E4_aP24_2_a_2i_c_7i_2i:Fe-H-K-O-P +mp-743881,K2V3P4H4O19,-7.3608657406,-2.4019996211,0.0,-0.0021041261,GGA+U,P-1,A4B2C19D4E3_aP64_2_4i_2i_19i_4i_3i:H-K-O-P-V,64.0,"Invalid WP multiplicities - A4B2C19D4E3_aP64_2_7i_4i_37i_7i_5i:H-K-O-P-V, expected K4V5P7H7O37 to be K2V3P4H4O19" +mp-735701,KFe3P8(H11O18)2,-6.5237006454,-1.9158770851,0.0219565746,0.0219565746,GGA+U,C2/c,A3B22CD36E8_mC280_15_ef_11f_e_18f_4f:Fe-H-K-O-P,140.0,A3B22CD36E8_mC280_15_ef_11f_e_18f_4f:Fe-H-K-O-P +mp-1224302,KVFeP2H5O11,-6.9023995181,-2.0991548853,0.0013370882,0.0013370882,GGA+U,P2_1/c,AB5CD11E2F_mP84_14_e_5e_e_11e_2e_e:Fe-H-K-O-P-V,84.0,AB5CD11E2F_mP84_14_e_5e_e_11e_2e_e:Fe-H-K-O-P-V +mp-867987,MnS2(NO7)2,-6.0830612295,-0.6429798172,0.6065775806,0.6065775806,GGA+U,P2_1/c,AB2C14D2_mP38_14_a_e_7e_e:Mn-N-O-S,38.0,AB2C14D2_mP38_14_a_e_7e_e:Mn-N-O-S +mp-1105944,HS2N(O2F)2,-5.8366525405,-1.4754691921,0.0767092492,0.0767092492,GGA,P2_1,A2BCD4E2_mP20_4_2a_a_a_4a_2a:F-H-N-O-S,20.0,A2BCD4E2_mP20_4_2a_a_a_4a_2a:F-H-N-O-S +mp-1194998,MnH8N2(OF2)2,-5.4894258106,-1.3414195286,0.187619867,0.187619867,GGA+U,P2_1/c,A4B8CD2E2_mP34_14_2e_4e_a_e_e:F-H-Mn-N-O,34.0,A4B8CD2E2_mP34_14_2e_4e_a_e_e:F-H-Mn-N-O +mp-1196995,MnH4S(NO2)2,-6.457828529,-1.1804023595,0.076311802,0.076311802,GGA+U,Pccn,A4BC2D4E_oP48_56_2e_a_e_2e_c:H-Mn-N-O-S,48.0,A4BC2D4E_oP48_56_2e_a_e_2e_c:H-Mn-N-O-S +mp-1203692,MnH8SN2O4F3,-5.807351537,-1.4581696887,0.0226822639,0.0226822639,GGA+U,P2_1/c,A3B8CD2E4F_mP76_14_3e_8e_ab_2e_4e_e:F-H-Mn-N-O-S,76.0,A3B8CD2E4F_mP76_14_3e_8e_ad_2e_4e_e:F-H-Mn-N-O-S +mp-1210871,MnH20S2(NO7)2,-5.7147130749,-1.324557492,0.0039531383,0.0039531383,GGA+U,P2_1/c,A20BC2D14E2_mP78_14_10e_a_e_7e_e:H-Mn-N-O-S,78.0,A20BC2D14E2_mP78_14_10e_a_e_7e_e:H-Mn-N-O-S +mp-759076,Mn2H8S3(NO6)2,-6.4722433002,-1.5126713398,0.0011618264,0.0011618264,GGA+U,P2_13,A8B2C2D12E3_cP108_198_2a2b_2a_2a_4b_b:H-Mn-N-O-S,108.0,"Invalid WP multiplicities - A8B2C2D12E3_cP108_198_7a6b_5a_5a_37b_b:H-Mn-N-O-S, expected Mn5H25S3N5O111 to be Mn2H8S3(NO6)2" +mp-1212181,MnSN2O4F3,-6.0617243077,-1.016938239,0.6854548274000001,0.6854548274000001,GGA+U,P2_1/c,A3BC2D4E_mP44_14_3e_ab_2e_4e_e:F-Mn-N-O-S,44.0,A3BC2D4E_mP44_14_3e_ad_2e_4e_e:F-Mn-N-O-S +mp-831268,MnH12S2(NO5)2,-5.8892483352,-1.2860074267,0.0631505857,0.0631505857,GGA+U,P2_1/c,A12BC2D10E2_mP54_14_6e_a_e_5e_e:H-Mn-N-O-S,54.0,"Invalid WP multiplicities - A12BC2D10E2_mP54_14_19e_a_e_13e_e:H-Mn-N-O-S, expected MnH38S2(NO13)2 to be MnH12S2(NO5)2" +mp-1211110,Mn2S3(NO6)2,-6.712457713,-1.0931611567,0.5906730941,0.5906730941,GGA+U,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Mn-N-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Mn-N-O-S +mp-561026,MnH10S2(NO2)4,-6.0951344595,-1.1238678649,0.0775129337,0.0775129337,GGA+U,P-1,A10BC4D8E2_aP25_2_5i_a_2i_4i_i:H-Mn-N-O-S,100.0,A10BC4D8E2_aP25_2_5i_a_2i_4i_i:H-Mn-N-O-S +mp-1196243,B8PH24RhC7,-5.3255173777,-0.1489605955,0.1082227214,0.1082227214,GGA,P-1,A8B7C24DE_aP164_2_16i_14i_48i_2i_2i:B-C-H-P-Rh,164.0,A8B7C24DE_aP164_2_16i_14i_48i_2i_2i:B-C-H-P-Rh +mp-1199795,B8P2H39RhC13,-5.3049159975,-0.1634078355,0.095667965,0.095667965,GGA,P2_1/c,A8B13C39D2E_mP252_14_8e_13e_39e_2e_e:B-C-H-P-Rh,252.0,A8B13C39D2E_mP252_14_8e_13e_39e_2e_e:B-C-H-P-Rh +mp-1202148,BP4H36Rh(C9F5)4,-5.9323651407,-0.5415836675,0.3224685717,0.3224685717,GGA,P-1,AB36C20D36E4F_aP196_2_i_36i_20i_36i_4i_i:B-C-F-H-P-Rh,196.0,AB36C20D36E4F_aP196_2_i_36i_20i_36i_4i_i:B-C-F-H-P-Rh +mp-25403,Li2VPO4F,-7.1729545672,-2.7270336647,0.0365417708,0.0365417708,GGA+U,P1,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C4DE_aP18_1_2a_4a_8a_2a_4a:F-Li-O-P-V, expected Li2V2PO4F to be Li2VPO4F" +mp-1173008,Li2VPO4F,-7.1540912,-2.7081702975,0.055405138,0.055405138,GGA+U,P1,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-V,18.0,AB2C4DE_aP18_1_2a_4a_8a_2a_2a:F-Li-O-P-V +mp-1222675,Li2VPO4F,-7.1743021378,-2.7283812353,0.0351942002,0.0351942002,GGA+U,C2,AB2C4DE_mC36_5_ab_2c_4c_ab_c:F-Li-O-P-V,36.0,AB2C4DE_mC36_5_ab_2c_4c_ab_c:F-Li-O-P-V +mp-831264,Li2VPO4F,-7.1744294247,-2.7285085222000003,0.0350669133,0.0350669133,GGA+U,P2_1/c,AB2C4DE_mP72_14_2e_4e_8e_2e_2e:F-Li-O-P-V,72.0,"Invalid WP multiplicities - AB2C4DE_mP72_14_3e_11e_29e_5e_3e:F-Li-O-P-V, expected Li11V3P5O29F3 to be Li2VPO4F" +mp-759147,Li2VPO4F,-7.1565034017,-2.7105824992,0.0529929363,0.0529929363,GGA+U,Pbcn,AB2C4DE_oP72_60_2c_2d_4d_d_d:F-Li-O-P-V,72.0,"Invalid WP multiplicities - AB2C4DE_oP72_60_6c_5d_13d_d_d:F-Li-O-P-V, expected Li5VPO13F3 to be Li2VPO4F" +mp-776064,Li2VPO4F,-7.1924918262,-2.7465709237,0.0170045118,0.0170045118,GGA+U,Pnma,AB2C4DE_oP72_62_2c_2cd_4c2d_2c_ab:F-Li-O-P-V,72.0,"Invalid WP multiplicities - AB2C4DE_oP72_62_5c_7c2d_13c8d_5c_2a2b:F-Li-O-P-V, expected Li11V4P5O29F5 to be Li2VPO4F" +mp-759300,Li7V7P6(O8F)3,-7.6503697604,-2.6741020249,0.0219119958,0.0219119958,GGA+U,P6_3,A3B7C24D6E7_hP94_173_c_b2c_8c_2c_a2c:F-Li-O-P-V,94.0,"Invalid WP multiplicities - A3B7C24D6E7_hP94_173_c_b8c_37c_5c_a10c:F-Li-O-P-V, expected Li25V31P15(O37F)3 to be Li7V7P6(O8F)3" +mp-758610,Li3V4P2O8F9,-7.1136931067,-2.8957770186,0.0902368365,0.0902368365,GGA+U,P2_1/m,A9B3C8D2E4_mP52_11_3e3f_ef_4f_f_2ef:F-Li-O-P-V,52.0,"Invalid WP multiplicities - A9B3C8D2E4_mP52_11_6e5f_2ef_7f_f_4ef:F-Li-O-P-V, expected Li2V3PO7F8 to be Li3V4P2O8F9" +mp-758819,Li3V2P2O8F3,-7.2612567251,-2.815193817,0.0600999607,0.0600999607,GGA+U,Pnnm,A3B3C8D2E2_oP72_58_gh_3g_4h_ef_h:F-Li-O-P-V,72.0,"Invalid WP multiplicities - A3B3C8D2E2_oP72_58_2g3h_9g_13h_3e4f_h:F-Li-O-P-V, expected Li9V2P7(O13F4)2 to be Li3V2P2O8F3" +mp-776659,LiVPO4F,-7.5406972372,-2.7776515802,0.061310845,0.0419083861,GGA+U,P1,ABC4DE_aP64_1_8a_8a_32a_8a_8a:F-Li-O-P-V,64.0,ABC4DE_aP64_1_8a_8a_32a_8a_8a:F-Li-O-P-V +mp-25423,LiVPO4F,-7.6020080822,-2.8389624252,0.0,-0.0194024589,GGA+U,P-1,ABC4DE_aP16_2_i_i_4i_i_ab:F-Li-O-P-V,32.0,"Invalid WP multiplicities - ABC4DE_aP16_2_i_i_4i_i_2a2b:F-Li-O-P-V, expected LiV2PO4F to be LiVPO4F" +mp-1247560,LiVPO4F,-7.5673019119,-2.8042562549000003,0.0347061703,0.0153037114,GGA+U,Pc,ABC4DE_mP64_7_4a_4a_16a_4a_4a:F-Li-O-P-V,64.0,ABC4DE_aP64_1_8a_8a_32a_8a_8a:F-Li-O-P-V +mp-782668,Li4VP2(O4F)2,-6.9490315294,-2.7759332838,0.0244746815,0.0244746815,GGA+U,Pc,A2B4C8D2E_mP68_7_4a_8a_16a_4a_2a:F-Li-O-P-V,68.0,"Invalid WP multiplicities - A2B4C8D2E_mP68_7_4a_9a_16a_4a_3a:F-Li-O-P-V, expected Li9V3P4(O4F)4 to be Li4VP2(O4F)2" +mp-554656,Li5VP2(O4F)2,-6.8787886217,-2.8314778971,0.0061142279,0.0061142279,GGA+U,P2_1/c,A2B5C8D2E_mP72_14_2e_ac4e_8e_2e_bd:F-Li-O-P-V,72.0,"Invalid WP multiplicities - A2B5C8D2E_mP72_14_5e_2a2c14e_28e_5e_bd:F-Li-O-P-V, expected Li16VP5O28F5 to be Li5VP2(O4F)2" +mp-758318,Li5VP2(O4F)2,-6.8328372467000005,-2.7855265221,0.0520656029,0.0520656029,GGA+U,P3,A2B5C8D2E_hP54_143_2d_2a2b2c3d_8d_2d_d:F-Li-O-P-V,54.0,"Invalid WP multiplicities - A2B5C8D2E_hP54_143_5d_2a2b2c6d_22d_4d_d:F-Li-O-P-V, expected Li8VP4O22F5 to be Li5VP2(O4F)2" +mp-760793,Li10Cr3P6(O4F)6,-6.8786426751,-2.5782837161,0.0844626892,0.0844626892,GGA+U,P3,A3B6C10D24E6_hP49_143_d_2d_2abc2d_8d_2d:Cr-F-Li-O-P,49.0,"Invalid WP multiplicities - A3B6C10D24E6_hP49_143_d_5d_2abc4d_19d_2d:Cr-F-Li-O-P, expected Li16Cr3P6(O19F5)3 to be Li10Cr3P6(O4F)6" +mp-759310,Li3Cr2P2(O4F)2,-7.3782349571,-2.7161210642,0.0144606787,0.0144606787,GGA+U,P-1,A2B2C3D8E2_aP17_2_ab_i_ci_4i_i:Cr-F-Li-O-P,34.0,"Invalid WP multiplicities - A2B2C3D8E2_aP17_2_2ab_i_ci_4i_i:Cr-F-Li-O-P, expected Li3Cr3P2(O4F)2 to be Li3Cr2P2(O4F)2" +mp-770679,Li5CrP2(O4F)2,-6.8368994911000005,-2.7579697999,0.0438346892,0.0438346892,GGA+U,P3,AB2C5D8E2_hP54_143_d_2d_2a2b2c3d_8d_2d:Cr-F-Li-O-P,54.0,"Invalid WP multiplicities - AB2C5D8E2_hP54_143_d_5d_2a2b2c6d_22d_4d:Cr-F-Li-O-P, expected Li8CrP4O22F5 to be Li5CrP2(O4F)2" +mp-776662,LiCrPO4F,-7.5163130028,-2.6821246708,0.0763155734,0.060981954,GGA+U,P1,ABCD4E_aP64_1_8a_8a_8a_32a_8a:Cr-F-Li-O-P,64.0,ABCD4E_aP64_1_8a_8a_8a_32a_8a:Cr-F-Li-O-P +mp-25448,LiCrPO4F,-7.5926285763,-2.7584402443,0.0,-0.0153336195,GGA+U,P-1,ABCD4E_aP16_2_ab_i_i_4i_i:Cr-F-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_ab_i_i_6i_i:Cr-F-Li-O-P, expected LiCrPO6F to be LiCrPO4F" +mp-758681,LiCrPO4F,-7.5206469366,-2.6864586046000003,0.0719816397,0.0566480202,GGA+U,Cc,ABCD4E_mC64_9_2a_2a_2a_8a_2a:Cr-F-Li-O-P,32.0,"Invalid WP multiplicities - ABCD4E_mC64_9_4a_4a_4a_16a_3a:Cr-F-Li-O-P, expected Li4Cr4P3(O4F)4 to be LiCrPO4F" +mp-770575,LiCrPO4F,-7.538298432,-2.7041101001000003,0.0543301442,0.0389965248,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:Cr-F-Li-O-P,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_5a_5a_5a_29a_5a:Cr-F-Li-O-P, expected Li5Cr5P5O29F5 to be LiCrPO4F" +mp-759852,LiVCrP2(O4F)2,-7.718105486,-2.7268422163,0.0080329685,0.0080329685,GGA+U,P1,AB2CD8E2F_aP45_1_3a_6a_3a_24a_6a_3a:Cr-F-Li-O-P-V,45.0,AB2CD8E2F_aP45_1_3a_6a_3a_24a_6a_3a:Cr-F-Li-O-P-V +mp-760187,LiVCrP2(O4F)2,-7.718956453,-2.7276931833,0.0071820015,0.0071820015,GGA+U,P1,AB2CD8E2F_aP60_1_4a_8a_4a_32a_8a_4a:Cr-F-Li-O-P-V,60.0,AB2CD8E2F_aP60_1_4a_8a_4a_32a_8a_4a:Cr-F-Li-O-P-V +mp-760317,LiVCrP2(O4F)2,-7.7185036873,-2.7272404177,0.0076347672,0.0076347672,GGA+U,P1,AB2CD8E2F_aP45_1_3a_6a_3a_24a_6a_3a:Cr-F-Li-O-P-V,45.0,AB2CD8E2F_aP45_1_3a_6a_3a_24a_6a_3a:Cr-F-Li-O-P-V +mp-861525,LiVCrP2(O4F)2,-4.1538365447,0.837426725,3.5723019098,3.5723019098,GGA+U,P1,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V,15.0,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V +mp-867682,LiVCrP2(O4F)2,-7.7206665097,-2.72940324,0.0054719448,0.0054719448,GGA+U,P1,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V,30.0,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V +mp-760260,LiVCrP2(O4F)2,-7.7189503999,-2.7276871302,0.0071880546,0.0071880546,GGA+U,P1,AB2CD8E2F_aP75_1_5a_10a_5a_40a_10a_5a:Cr-F-Li-O-P-V,75.0,AB2CD8E2F_aP75_1_5a_10a_5a_40a_10a_5a:Cr-F-Li-O-P-V +mp-1386918,LiVCrP2(O4F)2,-5.3098361207,-0.318572851,2.4163023338,2.4163023338,GGA+U,P1,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V,15.0,AB2CD8E2F_aP15_1_a_2a_a_8a_2a_a:Cr-F-Li-O-P-V +mp-767223,LiVCrP2(O4F)2,-7.7178747467,-2.726611477,0.0082637078,0.0082637078,GGA+U,P-1,AB2CD8E2F_aP30_2_i_2i_i_8i_2i_be:Cr-F-Li-O-P-V,30.0,"Invalid WP multiplicities - AB2CD8E2F_aP30_2_i_3i_i_15i_3i_be:Cr-F-Li-O-P-V, expected LiVCrP3(O5F)3 to be LiVCrP2(O4F)2" +mp-766092,LiVCrP2(O4F)2,-7.7158364763,-2.7245732067,0.0103019782,0.0103019782,GGA+U,P-1,AB2CD8E2F_aP30_2_ah_2i_i_8i_2i_cf:Cr-F-Li-O-P-V,30.0,"Invalid WP multiplicities - AB2CD8E2F_aP30_2_ah_3i_i_15i_3i_cf:Cr-F-Li-O-P-V, expected LiVCrP3(O5F)3 to be LiVCrP2(O4F)2" +mp-766001,LiVCrP2(O4F)2,-7.7169881363,-2.7257248667,0.0091503182,0.0091503182,GGA+U,P-1,AB2CD8E2F_aP30_2_i_2i_i_8i_2i_be:Cr-F-Li-O-P-V,30.0,"Invalid WP multiplicities - AB2CD8E2F_aP30_2_i_3i_i_15i_3i_be:Cr-F-Li-O-P-V, expected LiVCrP3(O5F)3 to be LiVCrP2(O4F)2" +mp-766016,LiVCrP2(O4F)2,-7.7150299403,-2.7237666707,0.0111085142,0.0111085142,GGA+U,P-1,AB2CD8E2F_aP30_2_bd_2i_i_8i_2i_ch:Cr-F-Li-O-P-V,30.0,"Invalid WP multiplicities - AB2CD8E2F_aP30_2_bd_3i_i_15i_3i_ch:Cr-F-Li-O-P-V, expected LiVCrP3(O5F)3 to be LiVCrP2(O4F)2" +mp-758993,Li2Cr2P2O7F2,-7.372176152,-2.5454878453000003,0.152543232,0.152543232,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_ac_d_d_c3d_d:Cr-F-Li-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_2a2c_d_d_4c9d_d:Cr-F-Li-O-P, expected LiCr2PO11F to be Li2Cr2P2O7F2" +mp-759336,Li7Cr7P6(O8F)3,-7.6519898789,-2.590956403,0.0263103623,0.0263103623,GGA+U,P1,A7B3C7D24E6_aP94_1_14a_6a_14a_48a_12a:Cr-F-Li-O-P,94.0,A7B3C7D24E6_aP94_1_14a_6a_14a_48a_12a:Cr-F-Li-O-P +mp-759783,Li2VCrP2(O4F)2,-7.5967978456,-2.7981808511,0.0012920658,0.0005204836,GGA+U,P1,AB2C2D8E2F_aP48_1_3a_6a_6a_24a_6a_3a:Cr-F-Li-O-P-V,48.0,AB2C2D8E2F_aP48_1_3a_6a_6a_24a_6a_3a:Cr-F-Li-O-P-V +mp-760236,Li2VCrP2(O4F)2,-7.5980899115,-2.799472917,0.0,-0.0007715822,GGA+U,P-1,AB2C2D8E2F_aP48_2_ai_3i_3i_12i_3i_ci:Cr-F-Li-O-P-V,48.0,"Invalid WP multiplicities - AB2C2D8E2F_aP48_2_a2i_4i_5i_24i_4i_c2i:Cr-F-Li-O-P-V, expected Li10V5Cr5P8(O6F)8 to be Li2VCrP2(O4F)2" +mp-753686,Li2VCrP2(O4F)2,-7.5963596247,-2.7977426302,0.0017302868,0.0009587045,GGA+U,P-1,AB2C2D8E2F_aP16_2_a_i_i_4i_i_b:Cr-F-Li-O-P-V,32.0,AB2C2D8E2F_aP16_2_a_i_i_4i_i_b:Cr-F-Li-O-P-V +mp-760143,Li2VCrP2(O4F)2,-7.5867397597,-2.7881227652,0.0113501518,0.0105785695,GGA+U,P-1,AB2C2D8E2F_aP32_2_ah_2i_2i_8i_2i_cf:Cr-F-Li-O-P-V,32.0,"Invalid WP multiplicities - AB2C2D8E2F_aP32_2_ah_3i_3i_15i_3i_cf:Cr-F-Li-O-P-V, expected Li3VCrP3(O5F)3 to be Li2VCrP2(O4F)2" +mp-759082,Li2VCrP2(O4F)2,-7.5971348829,-2.7985178884,0.0009550285,0.0001834463,GGA+U,P-1,AB2C2D8E2F_aP48_2_ai_3i_3i_12i_3i_ci:Cr-F-Li-O-P-V,48.0,"Invalid WP multiplicities - AB2C2D8E2F_aP48_2_ai_5i_5i_23i_5i_ci:Cr-F-Li-O-P-V, expected Li10V3Cr3P10(O23F5)2 to be Li2VCrP2(O4F)2" +mp-861714,Li2VCrP2(O4F)2,-7.5977667059,-2.7991497115,0.0003232055,-0.0004483767,GGA+U,P-1,AB2C2D8E2F_aP32_2_af_2i_2i_8i_2i_ch:Cr-F-Li-O-P-V,32.0,"Invalid WP multiplicities - AB2C2D8E2F_aP32_2_af_3i_3i_15i_3i_ch:Cr-F-Li-O-P-V, expected Li3VCrP3(O5F)3 to be Li2VCrP2(O4F)2" +mp-758264,Li3Cr4P2O8F9,-7.109488716,-2.8040124125,0.0778193169,0.0778193169,GGA+U,P2_1/m,A4B9C3D8E2_mP52_11_2ef_3e3f_ef_4f_f:Cr-F-Li-O-P,52.0,"Invalid WP multiplicities - A4B9C3D8E2_mP52_11_4ef_6e5f_2ef_7f_f:Cr-F-Li-O-P, expected Li2Cr3PO7F8 to be Li3Cr4P2O8F9" +mp-753680,Li3VCrP2(O4F)2,-7.3693320112,-2.7406970242,0.0269841541,0.0269841541,GGA+U,P1,AB2C3D8E2F_aP17_1_a_2a_3a_8a_2a_a:Cr-F-Li-O-P-V,17.0,AB2C3D8E2F_aP17_1_a_2a_3a_8a_2a_a:Cr-F-Li-O-P-V +mp-752727,Li2CrPO4F,-7.1461971744,-2.6370383386,0.0672817313,0.0672817313,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Cr-F-Li-O-P,18.0,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Cr-F-Li-O-P +mp-25391,Li2CrPO4F,-7.1725654233,-2.6634065875,0.0409134824,0.0409134824,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Cr-F-Li-O-P,18.0,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Cr-F-Li-O-P +mp-1172979,Li2CrPO4F,-7.1588674931,-2.6497086572,0.0546114127,0.0546114127,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:Cr-F-Li-O-P,36.0,"Invalid WP multiplicities - ABC2D4E_aP18_1_4a_2a_4a_8a_2a:Cr-F-Li-O-P, expected Li2Cr2PO4F to be Li2CrPO4F" +mp-759293,Li2CrPO4F,-7.1867577014,-2.6775988656000003,0.0267212044,0.0267212044,GGA+U,P2_1/c,ABC2D4E_mP72_14_2e_2e_4e_8e_2e:Cr-F-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_mP72_14_3e_3e_11e_29e_5e:Cr-F-Li-O-P, expected Li11Cr3P5O29F3 to be Li2CrPO4F" +mp-759202,Li2CrPO4F,-7.1617482975,-2.6525894617,0.0517306083,0.0517306083,GGA+U,Pbcn,ABC2D4E_oP72_60_d_2c_2d_4d_d:Cr-F-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_60_d_6c_5d_13d_d:Cr-F-Li-O-P, expected Li5CrPO13F3 to be Li2CrPO4F" +mp-770894,Li2CrPO4F,-7.199495384,-2.6903365482,0.0139835217,0.0139835217,GGA+U,Pnma,ABC2D4E_oP72_62_ab_2c_2cd_4c2d_2c:Cr-F-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_62_2a2b_5c_7c2d_13c8d_5c:Cr-F-Li-O-P, expected Li11Cr4P5O29F5 to be Li2CrPO4F" +mp-759047,Li4CrP2(O4F)2,-6.8659987292,-2.6594215777,0.0632224054,0.0632224054,GGA+U,P1,AB2C4D8E2_aP51_1_3a_6a_12a_24a_6a:Cr-F-Li-O-P,51.0,AB2C4D8E2_aP51_1_3a_6a_12a_24a_6a:Cr-F-Li-O-P +mp-759194,Li19Cr4P8O35F,-7.0278771521,-2.6512543422,0.061769195,0.061769195,GGA+U,P1,A4BC19D35E8_aP67_1_4a_a_19a_35a_8a:Cr-F-Li-O-P,67.0,A4BC19D35E8_aP67_1_4a_a_19a_35a_8a:Cr-F-Li-O-P +mp-766881,H7SIO10,-5.3580065411,-1.2092809808,0.0211637702,0.0211637702,GGA,P-1,A7BC10D_aP38_2_7i_ab_10i_i:H-I-O-S,38.0,"Invalid WP multiplicities - A7BC10D_aP38_2_13i_ab_19i_i:H-I-O-S, expected H13SIO19 to be H7SIO10" +mp-849800,H7SIO10,-5.3589739939,-1.2102484337,0.0201963174,0.0201963174,GGA,I4_1/a,A7BC10D_tI304_88_7f_f_10f_f:H-I-O-S,152.0,"Invalid WP multiplicities - A7BC10D_tI304_88_41f_f_53f_f:H-I-O-S, expected H41SIO53 to be H7SIO10" +mp-765597,HS2IO8,-5.8192644802,-1.4265559953,0.0,-0.0062459426,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:H-I-O-S,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_31e_3e:H-I-O-S, expected HS3IO31 to be HS2IO8" +mp-557396,Ag2INO3,-4.9599673091,-0.6292473926000001,0.000900283,0.000900283,GGA,P2_12_12_1,A2BCD3_oP56_19_4a_2a_2a_6a:Ag-I-N-O,56.0,"Invalid WP multiplicities - A2BCD3_oP56_19_11a_5a_5a_19a:Ag-I-N-O, expected Ag11I5N5O19 to be Ag2INO3" +mp-1196199,AgH36S8I2(N3O4)3,-5.1726680445,-0.8285835722,0.0629800374,0.0629800374,GGA,I-42d,AB36C2D9E12F8_tI272_122_a_9e_d_bcde_3e_2e:Ag-H-I-N-O-S,136.0,AB36C2D9E12F8_tI272_122_a_9e_d_bcde_3e_2e:Ag-H-I-N-O-S +mp-653562,Ag3I(NO3)2,-5.1122407733,-0.4185610669,0.2339666692,0.2339666692,GGA,P2_12_12_1,A3BC2D6_oP48_19_3a_a_2a_6a:Ag-I-N-O,48.0,"Invalid WP multiplicities - A3BC2D6_oP48_19_11a_a_4a_23a:Ag-I-N-O, expected Ag11IN4O23 to be Ag3I(NO3)2" +mp-1194352,AgI3N2O,-3.1229237154,1.0016953724,1.39822336,1.39822336,GGA,Pnma,AB3C2D_oP28_62_c_3c_2c_c:Ag-I-N-O,28.0,AB3C2D_oP28_62_c_3c_2c_c:Ag-I-N-O +mp-1213751,Cs2B12HF12,-5.9422678644,-1.9321204699,0.1747277739,0.1747277739,GGA,P2_12_12_1,A12B2C12D_oP108_19_12a_2a_12a_a:B-Cs-F-H,108.0,A12B2C12D_oP108_19_12a_2a_12a_a:B-Cs-F-H +mp-1199273,CsBHC3OF9,-5.7399819025,-1.9397621472,0.3750450076,0.3750450076,GGA,P6_3/m,AB3CD9EF_hP96_176_h_hi_bf_h4i_h_h:B-C-Cs-F-H-O,96.0,AB3CD9EF_hP96_176_h_hi_bf_h4i_h_h:B-C-Cs-F-H-O +mp-1213928,Cs2B12H4F9,-5.7178371032,-1.5431067002,0.1547996237,0.1547996237,GGA,P2_12_12_1,A12B2C9D4_oP108_19_12a_2a_9a_4a:B-Cs-F-H,108.0,A12B2C9D4_oP108_19_12a_2a_9a_4a:B-Cs-F-H +mp-759303,CsB10H13C,-5.1534370138,-0.3125000475,0.0337056118,0.0337056118,GGA,P2_1/c,A10BCD13_mP100_14_10e_e_e_13e:B-C-Cs-H,100.0,"Invalid WP multiplicities - A10BCD13_mP100_14_37e_e_e_49e:B-C-Cs-H, expected CsB37H49C to be CsB10H13C" +mp-1198494,Cs2B12H2OF12,-6.0263105969,-2.0051590657,0.1669919788,0.1669919788,GGA,P2_12_12_1,A12B2C12D2E_oP116_19_12a_2a_12a_2a_a:B-Cs-F-H-O,116.0,A12B2C12D2E_oP116_19_12a_2a_12a_2a_a:B-Cs-F-H-O +mp-505375,CsB(CF4)2,-5.7239952675,-2.2803321952,0.2882199679,0.2882199679,GGA,P2_1/m,AB2CD8_mP24_11_e_2e_e_2e3f:B-C-Cs-F,24.0,"Invalid WP multiplicities - AB2CD8_mP24_11_e_4e_e_4e10f:B-C-Cs-F, expected CsB(CF6)4 to be CsB(CF4)2" +mp-27938,Tl6SI4,-2.9934233555,-0.7928984330000001,0.0,-0.0018972734,GGA,P4/mnc,A4BC6_tP22_128_g_a_eh:I-S-Tl,22.0,A4BC6_tP22_128_g_a_eh:I-S-Tl +mp-1202038,TlH12C4S2I3O2,-4.6782880002,-0.4042715893,0.1693601029,0.1693601029,GGA,C2/c,A4B12C3D2E2F_mC96_15_2f_6f_ef_f_f_e:C-H-I-O-S-Tl,48.0,A4B12C3D2E2F_mC96_15_2f_6f_ef_f_f_e:C-H-I-O-S-Tl +mp-1207211,Tl2SI2,-2.533283442,-0.17158967,0.5769593768,0.5769593768,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:I-S-Tl,5.0,A2BC2_tP5_123_g_a_g:I-S-Tl +mp-557251,Tl2CS3,-4.7286823875,-0.3347988231,0.0856802064,0.0856802064,GGA,C2/c,AB3C2_mC24_15_e_ef_f:C-S-Tl,12.0,"Invalid WP multiplicities - AB3C2_mC24_15_e_2e2f_f:C-S-Tl, expected Tl2CS6 to be Tl2CS3" +mp-2679737,Tl2CS3,-4.7398746808,-0.3459911164,0.0744879131,0.0744879131,GGA,C2/c,AB3C2_mC24_15_e_ef_f:C-S-Tl,12.0,"Invalid WP multiplicities - AB3C2_mC24_15_e_2e2f_f:C-S-Tl, expected Tl2CS6 to be Tl2CS3" +mp-738633,AgB10H26C6N,-5.1710288376,-0.1358961385,0.1432734395,0.1432734395,GGA,P2_1/c,AB10C6D26E_mP176_14_e_10e_6e_26e_e:Ag-B-C-H-N,176.0,AB10C6D26E_mP176_14_e_10e_6e_26e_e:Ag-B-C-H-N +mp-10413,AgB(CN)4,-7.832814264,0.1444446804,0.4367206863,0.4367206863,GGA,P-43m,ABC4D4_cP10_215_a_b_e_e:Ag-B-C-N,10.0,ABC4D4_cP10_215_a_b_e_e:Ag-B-C-N +mp-759882,AgBH8C4(N2F)4,-6.5204552602,-0.8317516689000001,0.0779089517,0.0779089517,GGA,P-1,ABC4D4E8F8_aP52_2_i_i_4i_4i_8i_8i:Ag-B-C-F-H-N,52.0,"Invalid WP multiplicities - ABC4D4E8F8_aP52_2_i_i_7i_7i_15i_15i:Ag-B-C-F-H-N, expected AgBH15C7N15F7 to be AgBH8C4(N2F)4" +mp-1204293,BH10C3NF4,-5.5013934979,-1.0658640509,0.0724014035,0.0724014035,GGA,P2_1/m,AB3C4D10E_mP38_11_e_ef_2ef_2e4f_e:B-C-F-H-N,38.0,AB3C4D10E_mP38_11_e_ef_2ef_2e4f_e:B-C-F-H-N +mp-1215142,AgBHC12(NF2)9,-6.704606193,-1.1549934438,0.1505336707,0.1505336707,GGA,P2_12_12_1,ABC12D18EF9_oP168_19_a_a_12a_18a_a_9a:Ag-B-C-F-H-N,168.0,ABC12D18EF9_oP168_19_a_a_12a_18a_a_9a:Ag-B-C-F-H-N +mp-1199055,BH6C2N5F4,-6.431676785,-1.1638173672,0.0412645937,0.0412645937,GGA,P-1,AB2C4D6E5_aP36_2_i_2i_4i_6i_5i:B-C-F-H-N,36.0,AB2C4D6E5_aP36_2_i_2i_4i_6i_5i:B-C-F-H-N +mp-862539,BH6CN3F4,-6.0295798773,-1.4349255988,0.0,-0.0048768543,GGA,R3m,ABC4D6E3_hR45_160_a_a_ab_c_b:B-C-F-H-N,15.0,ABC4D6E3_hR45_160_a_a_ab_c_b:B-C-F-H-N +mp-726274,YBCO7,-7.4561508252,-1.7560158897,0.5408608428,0.5408608428,GGA,Pbca,ABC7D_oP80_61_c_c_7c_c:B-C-O-Y,80.0,ABC7D_oP80_61_c_c_7c_c:B-C-O-Y +mp-24279,AlH36C12S6(IO2)3,-5.0637242978,-0.445808206,0.1508591581,0.1508591581,GGA,R-3,AB12C36D3E6F6_hR192_148_a_2f_6f_bc_f_f:Al-C-H-I-O-S,64.0,"Invalid WP multiplicities - AB12C36D3E6F6_hR192_148_a_6f_10f_b2c_f_f:Al-C-H-I-O-S, expected AlH60C36S6I5O6 to be AlH36C12S6(IO2)3" +mp-1202384,UH4(NO5)2,-6.9662828974,-1.6132128296,0.0,-0.0038987027,GGA,P2_1/c,A4B2C10D_mP68_14_4e_2e_10e_ad:H-N-O-U,68.0,A4B2C10D_mP68_14_4e_2e_10e_ab:H-N-O-U +mp-696181,UH12(NO4)2,-6.0781228422,-1.3715740557,0.1443910778,0.1443910778,GGA,P-1,A12B2C8D_aP23_2_6i_i_4i_a:H-N-O-U,23.0,A12B2C8D_aP23_2_6i_i_4i_a:H-N-O-U +mp-1213344,Na3U2H28S10N9O44,-6.0692115427,-1.3234409026,0.2617338415,0.2617338415,GGA,P-1,A28B9C3D44E10F2_aP96_2_14i_b4i_ei_22i_5i_i:H-N-Na-O-S-U,96.0,A28B9C3D44E10F2_aP96_2_14i_b4i_ei_22i_5i_i:H-N-Na-O-S-U +mp-1202445,NaUN3O11,-7.4025090381,-1.6501967942,0.0,-0.0492820848,GGA,P2_13,A3BC11D_cP64_198_b_a_2a3b_a:N-Na-O-U,64.0,A3BC11D_cP64_198_b_a_2a3b_a:N-Na-O-U +mp-766134,UH12(NO7)2,-6.2283464898,-1.4721135809,0.0066253347,0.0066253347,GGA,Cmc2_1,A12B2C14D_oC116_36_6b_2a_4a5b_a:H-N-O-U,58.0,"Invalid WP multiplicities - A12B2C14D_oC116_36_11b_2a_8a10b_a:H-N-O-U, expected UH22(NO14)2 to be UH12(NO7)2" +mp-720789,UH12(NO7)2,-6.2325705172,-1.4763376084,0.0024013073,0.0024013073,GGA,Cmc2_1,A12B2C14D_oC116_36_6b_2a_4a5b_a:H-N-O-U,58.0,A12B2C14D_oC116_36_6b_2a_4a5b_a:H-N-O-U +mp-721180,UH14(NO2)4,-5.9767734524,-1.0986599698,0.234904282,0.234904282,GGA,Pbca,A14B4C8D_oP108_61_7c_2c_4c_a:H-N-O-U,108.0,A14B4C8D_oP108_61_7c_2c_4c_a:H-N-O-U +mp-720295,UH10N2O7,-6.2255049185,-1.3995808541,0.1514709463,0.1514709463,GGA,Pbcn,A10B2C7D_oP80_60_5d_d_c3d_a:H-N-O-U,80.0,A10B2C7D_oP80_60_5d_d_c3d_a:H-N-O-U +mp-1198997,C2SNOF,-7.1076578831,-0.8095839739,0.1603896845,0.1603896845,GGA,Pca2_1,A2BCDE_oP48_29_4a_2a_2a_2a_2a:C-F-N-O-S,48.0,A2BCDE_oP48_29_4a_2a_2a_2a_2a:C-F-N-O-S +mp-1191868,C2SNOF,-6.9903323446000005,-0.6922584353,0.2777152231,0.2777152231,GGA,Pnma,A2BCDE_oP24_62_2c_c_c_c_c:C-F-N-O-S,24.0,A2BCDE_oP24_62_2c_c_c_c_c:C-F-N-O-S +mp-555309,CS4N2(OF)3,-5.8383256402,-0.9904827289,0.3054457178,0.3054457178,GGA,P2_1/c,AB3C2D3E4_mP52_14_e_3e_2e_3e_4e:C-F-N-O-S,52.0,"Invalid WP multiplicities - AB3C2D3E4_mP52_14_e_7e_4e_10e_10e:C-F-N-O-S, expected CS10N4O10F7 to be CS4N2(OF)3" +mp-559873,CSNO2F3,-6.1275116059,-1.4613335298,0.210152054,0.210152054,GGA,P2_1/c,AB3CD2E_mP96_14_3e_9e_3e_6e_3e:C-F-N-O-S,96.0,"Invalid WP multiplicities - AB3CD2E_mP96_14_9e_31e_10e_22e_9e:C-F-N-O-S, expected C9S9N10O22F31 to be CSNO2F3" +mp-1192972,PbC3S2N(O2F)2,-5.0797973196,0.4292604486,1.9323953437,1.9323953437,GGA,P-1,A3B2CD4EF2_aP26_2_3i_2i_i_4i_i_2i:C-F-N-O-Pb-S,26.0,A3B2CD4EF2_aP26_2_3i_2i_i_4i_i_2i:C-F-N-O-Pb-S +mp-672266,CSNOF5,-5.5570077808,-1.5341529105,0.2629087402,0.2629087402,GGA,P-1,AB5CDE_aP36_2_2i_10i_2i_2i_2i:C-F-N-O-S,36.0,AB5CDE_aP36_2_2i_10i_2i_2i_2i:C-F-N-O-S +mp-1182745,CSNOF5,-5.3517114431,-1.3288565727,0.468205078,0.468205078,GGA,P-1,AB5CDE_aP36_2_2i_10i_2i_2i_2i:C-F-N-O-S,36.0,"Invalid WP multiplicities - AB5CDE_aP36_2_3i_19i_3i_2i_4i:C-F-N-O-S, expected C3S4N3O2F19 to be CSNOF5" +mp-1210853,PbC12(SF5)2,-6.5572481419,-0.8834752463000001,0.3464221289,0.3464221289,GGA,P2_1/c,A12B10CD2_mP150_14_18e_15e_ae_3e:C-F-Pb-S,150.0,A12B10CD2_mP150_14_18e_15e_ae_3e:C-F-Pb-S +mp-648193,CSN2OF2,-6.4846033733,-0.9406388225,0.2736014651,0.2736014651,GGA,P-1,AB2C2DE_aP168_2_12i_24i_24i_12i_12i:C-F-N-O-S,168.0,"Invalid WP multiplicities - AB2C2DE_aP168_2_22i_48i_47i_21i_23i:C-F-N-O-S, expected C22S23N47(O7F16)3 to be CSN2OF2" +mp-555016,CS3NO2F3,-5.6586484364,-1.0984160021,0.3161684712,0.3161684712,GGA,C2/c,AB3CD2E3_mC160_15_2f_6f_2f_4f_6f:C-F-N-O-S,80.0,"Invalid WP multiplicities - AB3CD2E3_mC160_15_5f_24f_5f_15f_22f:C-F-N-O-S, expected C5S22N5(O5F8)3 to be CS3NO2F3" +mp-1206156,Pb(NF3)2,-3.5933571522000003,-0.0539670717,1.1677398583,1.1677398583,GGA,P-3m1,A6B2C_hP9_164_i_d_a:F-N-Pb,9.0,A6B2C_hP9_164_i_d_a:F-N-Pb +mp-557531,Pb2S(O2F)2,-6.0829634617,-2.1750238187,0.0,-0.0362591206,GGA,C2/c,A2B4C2D_mC36_15_f_2f_f_e:F-O-Pb-S,18.0,"Invalid WP multiplicities - A2B4C2D_mC36_15_f_4f_f_e:F-O-Pb-S, expected Pb2S(O4F)2 to be Pb2S(O2F)2" +mp-1179999,Pb10SO13F2,-5.8906590248,-1.6832424191,0.0365381419,0.0365381419,GGA,P-1,A2B13C10D_aP52_2_2i_13i_10i_i:F-O-Pb-S,52.0,A2B13C10D_aP52_2_2i_13i_10i_i:F-O-Pb-S +mp-558959,CS5N5O3F,-6.33945786,-0.4497955565,0.3422103437,0.3422103437,GGA,P-1,ABC5D3E5_aP30_2_i_i_5i_3i_5i:C-F-N-O-S,30.0,"Invalid WP multiplicities - ABC5D3E5_aP30_2_i_i_9i_5i_6i:C-F-N-O-S, expected CS6N9O5F to be CS5N5O3F" +mp-1204119,C2S2N(O2F3)2,-5.7813786167,-1.3598883304,0.4230296256,0.4230296256,GGA,Pccn,A2B6CD4E2_oP60_56_e_3e_c_2e_e:C-F-N-O-S,60.0,A2B6CD4E2_oP60_56_e_3e_c_2e_e:C-F-N-O-S +mp-696078,K3ZrH2S(OF)5,-6.0974109072000005,-2.7390792706,0.0,-0.0055972967,GGA,P2_1/c,A5B2C3D5EF_mP68_14_5e_2e_3e_5e_e_e:F-H-K-O-S-Zr,68.0,A5B2C3D5EF_mP68_14_5e_2e_3e_5e_e_e:F-H-K-O-S-Zr +mp-1196465,K2ZrS2(O5F)2,-6.3481734384,-2.0933944204,0.2099981987,0.2099981987,GGA,P2_1/c,A2B2C10D2E_mP68_14_2e_2e_10e_2e_e:F-K-O-S-Zr,68.0,A2B2C10D2E_mP68_14_2e_2e_10e_2e_e:F-K-O-S-Zr +mp-698122,K3H3S2(O4F)2,-5.0873807658,-1.466339525,0.6033723803000001,0.6033723803000001,GGA,C2,A2B3C3D8E2_mC72_5_2c_3c_ab2c_8c_2c:F-H-K-O-S,36.0,A2B3C3D8E2_mC72_5_2c_3c_ab2c_8c_2c:F-H-K-O-S +mp-1203851,K2ZrS3O14,-6.4735893007,-1.8520147966,0.2475221099,0.2475221099,GGA,P2_1/c,A2B14C3D_mP80_14_2e_14e_3e_e:K-O-S-Zr,80.0,A2B14C3D_mP80_14_2e_14e_3e_e:K-O-S-Zr +mp-1211985,K3Zr2S(O2F3)3,-6.2195350512,-2.8173211968,0.1792779409,0.1792779409,GGA,C2/m,A9B3C6DE2_mC84_12_e2i3j_h2i_2i2j_i_j:F-K-O-S-Zr,42.0,A9B3C6DE2_mC84_12_e2i3j_g2i_2i2j_i_j:F-K-O-S-Zr +mp-707845,K3ZrHS(OF)5,-6.0812376583,-2.7250556722,0.0614552117,0.0614552117,GGA,Cmc2_1,A5BC3D5EF_oC128_36_6a2b_b_2a2b_6a2b_2a_2a:F-H-K-O-S-Zr,64.0,A5BC3D5EF_oC128_36_6a2b_b_2a2b_6a2b_2a_2a:F-H-K-O-S-Zr +mp-720461,P3H22C3N9O11,-6.2745332956,-1.107701897,0.0272143174,0.0272143174,GGA,P2_1/c,A3B22C9D11E3_mP192_14_3e_22e_9e_11e_3e:C-H-N-O-P,192.0,A3B22C9D11E3_mP192_14_3e_22e_9e_11e_3e:C-H-N-O-P +mp-695113,P4H35C4(NO)16,-6.0907441973,-0.8928212406,0.1800896565,0.1800896565,GGA,P-1,A4B35C16D16E4_aP75_2_2i_a17i_8i_8i_2i:C-H-N-O-P,75.0,"Invalid WP multiplicities - A4B35C16D16E4_aP75_2_4i_a32i_14i_16i_4i:C-H-N-O-P, expected P8H65C8(N7O8)4 to be P4H35C4(NO)16" +mp-777777,PH18C6N3O,-5.5402747371,-0.3054286075,0.1243319058,0.1243319058,GGA,P2_1/m,A6B18C3DE_mP58_11_3f_9f_ef_e_e:C-H-N-O-P,58.0,"Invalid WP multiplicities - A6B18C3DE_mP58_11_5f_17f_e2f_e_e:C-H-N-O-P, expected PH34C10N5O to be PH18C6N3O" +mp-1220124,PH9C(NO)4,-6.1716158729,-0.9974455071,0.0710419997,0.0710419997,GGA,P1,AB9C4D4E_aP38_1_2a_18a_8a_8a_2a:C-H-N-O-P,38.0,AB9C4D4E_aP38_1_2a_18a_8a_8a_2a:C-H-N-O-P +mp-604964,PH9C(NO)4,-6.1720153462,-0.9978449804,0.0706425264,0.0706425264,GGA,P-1,AB9C4D4E_aP76_2_2i_18i_8i_8i_2i:C-H-N-O-P,76.0,"Invalid WP multiplicities - AB9C4D4E_aP76_2_4i_36i_14i_16i_4i:C-H-N-O-P, expected P2H18C2N7O8 to be PH9C(NO)4" +mp-555108,PH9C(NO)4,-6.1720955155,-0.9979251498,0.070562357,0.070562357,GGA,P-1,AB9C4D4E_aP38_2_i_ad8i_4i_4i_i:C-H-N-O-P,38.0,"Invalid WP multiplicities - AB9C4D4E_aP38_2_i_ad15i_8i_7i_i:C-H-N-O-P, expected PH16CN8O7 to be PH9C(NO)4" +mp-557521,PH8C2NO4,-6.007376205,-1.0613954786,0.0850456771,0.0850456771,GGA,P2_1/c,A2B8CD4E_mP64_14_2e_8e_e_4e_e:C-H-N-O-P,64.0,"Invalid WP multiplicities - A2B8CD4E_mP64_14_4e_29e_e_12e_e:C-H-N-O-P, expected PH29C4NO12 to be PH8C2NO4" +mp-708955,PH8C2NO4,-5.9879155289,-1.0419348026,0.1045063532,0.1045063532,GGA,I-4,A2B8CD4E_tI128_82_2g_8g_g_4g_g:C-H-N-O-P,64.0,A2B8CD4E_tI128_82_2g_8g_g_4g_g:C-H-N-O-P +mp-1204242,NpP2H9C2NO11,-6.6606673794,-1.4485011935,0.3293294901,0.3293294901,GGA,Pca2_1,A2B9CDE11F2_oP104_29_2a_9a_a_a_11a_2a:C-H-N-Np-O-P,104.0,A2B9CDE11F2_oP104_29_2a_9a_a_a_11a_2a:C-H-N-Np-O-P +mp-707958,PH9C2N4O5,-6.4481791507,-1.0917700482,0.0169079034,0.0169079034,GGA,P-1,A2B9C4D5E_aP42_2_2i_9i_4i_5i_i:C-H-N-O-P,42.0,A2B9C4D5E_aP42_2_2i_9i_4i_5i_i:C-H-N-O-P +mp-542041,PH7CN2O5,-6.3012088288,-1.3138660962,0.0251850804,0.0251850804,GGA,Pbca,AB7C2D5E_oP128_61_c_7c_2c_5c_c:C-H-N-O-P,128.0,AB7C2D5E_oP128_61_c_7c_2c_5c_c:C-H-N-O-P +mp-554756,PH6CNO3,-5.9886434314,-1.1407363207,0.0486444606,0.0486444606,GGA,P2_1/c,AB6CD3E_mP144_14_3e_18e_3e_9e_3e:C-H-N-O-P,144.0,"Invalid WP multiplicities - AB6CD3E_mP144_14_11e_69e_12e_36e_7e:C-H-N-O-P, expected P7H69C11(NO3)12 to be PH6CNO3" +mp-542745,PH6CNO3,-5.962305396,-1.1143982854,0.0749824959,0.0749824959,GGA,Pbca,AB6CD3E_oP96_61_c_6c_c_3c_c:C-H-N-O-P,96.0,AB6CD3E_oP96_61_c_6c_c_3c_c:C-H-N-O-P +mp-1198875,P2H32C9(N3O2)6,-6.4921960757,-0.8501549651,0.0173216874,0.0173216874,GGA,P-1,A9B32C18D12E2_aP146_2_9i_32i_18i_12i_2i:C-H-N-O-P,146.0,A9B32C18D12E2_aP146_2_9i_32i_18i_12i_2i:C-H-N-O-P +mp-1201894,P2H17C6NO2,-5.4909168402,-0.4157449444,0.0857990645,0.0857990645,GGA,P-1,A6B17CD2E2_aP56_2_6i_17i_i_2i_2i:C-H-N-O-P,56.0,A6B17CD2E2_aP56_2_6i_17i_i_2i_2i:C-H-N-O-P +mp-1173605,PH10C2NO4,-5.7659587458,-0.9925618729,0.0618273349,0.0618273349,GGA,P1,A2B10CD4E_aP144_1_16a_80a_8a_32a_8a:C-H-N-O-P,144.0,A2B10CD4E_aP144_1_16a_80a_8a_32a_8a:C-H-N-O-P +mp-1220474,PH10C2NO4,-5.7664283274,-0.9930314545,0.0613577533,0.0613577533,GGA,P2_1,A2B10CD4E_mP72_4_4a_20a_2a_8a_2a:C-H-N-O-P,72.0,"Invalid WP multiplicities - A2B10CD4E_mP72_4_6a_29a_3a_12a_3a:C-H-N-O-P, expected P3H29C6(NO4)3 to be PH10C2NO4" +mp-1197359,PH10C2NO4,-5.7659171796,-0.9925203067,0.0618689011,0.0618689011,GGA,Pc,A2B10CD4E_mP72_7_4a_20a_2a_8a_2a:C-H-N-O-P,72.0,A2B10CD4E_mP72_7_4a_20a_2a_8a_2a:C-H-N-O-P +mp-1200282,PH10C2NO4,-5.7376672118,-0.9642703389,0.0901188689,0.0901188689,GGA,Pc,A2B10CD4E_mP72_7_4a_20a_2a_8a_2a:C-H-N-O-P,72.0,A2B10CD4E_mP72_7_4a_20a_2a_8a_2a:C-H-N-O-P +mp-556431,PH10C2NO4,-5.7632721844,-0.9898753116,0.0645138963,0.0645138963,GGA,P2_1/c,A2B10CD4E_mP72_14_2e_ab9e_e_4e_e:C-H-N-O-P,72.0,"Invalid WP multiplicities - A2B10CD4E_mP72_14_5e_2a2b32e_e_13e_e:C-H-N-O-P, expected PH34C5NO13 to be PH10C2NO4" +mp-559679,P2H17C4NO8,-5.798954013,-1.0074660641,0.0958374905,0.0958374905,GGA,P2_1/c,A4B17CD8E2_mP128_14_4e_17e_e_8e_2e:C-H-N-O-P,128.0,"Invalid WP multiplicities - A4B17CD8E2_mP128_14_14e_65e_e_29e_5e:C-H-N-O-P, expected P5H65C14NO29 to be P2H17C4NO8" +mp-561521,PH8C2NO2,-5.6832440305,-0.7373644449000001,0.0613119574,0.0613119574,GGA,P2_1/c,A2B8CD2E_mP56_14_2e_8e_e_2e_e:C-H-N-O-P,56.0,"Invalid WP multiplicities - A2B8CD2E_mP56_14_4e_23e_e_6e_e:C-H-N-O-P, expected PH23C4NO6 to be PH8C2NO2" +mp-1209891,PH5CN2O3,-6.3816918708,-1.1218040202,0.0838895995,0.0838895995,GGA,P-1,AB5C2D3E_aP24_2_i_5i_2i_3i_i:C-H-N-O-P,24.0,AB5C2D3E_aP24_2_i_5i_2i_3i_i:C-H-N-O-P +mp-722382,PH11C(NO2)2,-5.5289177291,-0.8751440875000001,0.2139167482,0.2139167482,GGA,P2_1/c,AB11C2D4E_mP76_14_e_11e_2e_4e_e:C-H-N-O-P,76.0,AB11C2D4E_mP76_14_e_11e_2e_4e_e:C-H-N-O-P +mp-1203912,PH14C4NO4,-5.7076306443,-0.7930731911000001,0.0507143189,0.0507143189,GGA,P-1,A4B14CD4E_aP96_2_8i_28i_2i_8i_2i:C-H-N-O-P,96.0,A4B14CD4E_aP96_2_8i_28i_2i_8i_2i:C-H-N-O-P +mp-1191468,NpPH3CO5,-7.6751492782,-1.993206608,0.0418049528,0.0418049528,GGA,P-1,AB3CD5E_aP22_2_i_3i_i_5i_i:C-H-Np-O-P,22.0,AB3CD5E_aP22_2_i_3i_i_5i_i:C-H-Np-O-P +mp-1198291,NpP2H2CO8,-7.5742340143,-1.9055188738,0.3961228542,0.3961228542,GGA,Pna2_1,AB2CD8E2_oP56_33_a_2a_a_8a_2a:C-H-Np-O-P,56.0,AB2CD8E2_oP56_33_a_2a_a_8a_2a:C-H-Np-O-P +mp-1203680,KH5C3N2O5,-6.6354577547,-1.1875540637,0.054896169,0.054896169,GGA,Pnnm,A3B5CD2E5_oP64_58_3g_5g_e_2g_5g:C-H-K-N-O,64.0,A3B5CD2E5_oP64_58_3g_5g_e_2g_5g:C-H-K-N-O +mp-24055,KCoH6(N3O4)2,-6.1398980663,-0.7686456912,0.2562709285,0.2562709285,GGA+U,P2_12_12_1,AB6CD6E8_oP88_19_a_6a_a_6a_8a:Co-H-K-N-O,88.0,"Invalid WP multiplicities - AB6CD6E8_oP88_19_a_7a_a_7a_10a:Co-H-K-N-O, expected KCoH7N7O10 to be KCoH6(N3O4)2" +mp-973926,KCoH3(CO2)3,-6.7148914604000005,-1.3032469159,0.178062283,0.178062283,GGA+U,C2/c,A3BC3DE6_mC56_15_ef_c_ef_e_3f:C-Co-H-K-O,28.0,"Invalid WP multiplicities - A3BC3DE6_mC56_15_2ef_c_2e3f_e_11f:C-Co-H-K-O, expected KCoH8(C2O11)2 to be KCoH3(CO2)3" +mp-1193315,KCoH3(CO2)3,-6.7816125861,-1.3699680416,0.1113411573,0.1113411573,GGA+U,P6_322,A3BC3DE6_hP28_182_g_c_g_b_i:C-Co-H-K-O,28.0,A3BC3DE6_hP28_182_g_c_g_b_i:C-Co-H-K-O +mp-1201889,KH13C4(NO)2,-5.2889261051,-0.3481594335,0.2688602175,0.2688602175,GGA,P2_1/c,A4B13CD2E2_mP88_14_4e_13e_e_2e_2e:C-H-K-N-O,88.0,A4B13CD2E2_mP88_14_4e_13e_e_2e_2e:C-H-K-N-O +mp-1204164,KH3CN2O,-6.0939109014,-0.8267957594,0.0107321257,0.0107321257,GGA,Pbca,AB3CD2E_oP64_61_c_3c_c_2c_c:C-H-K-N-O,64.0,AB3CD2E_oP64_61_c_3c_c_2c_c:C-H-K-N-O +mp-1192729,KHC(NO)2,-6.3630903521,-0.6062106726000001,0.6155081743,0.6155081743,GGA,I-42d,ABCD2E2_tI56_122_d_d_d_e_e:C-H-K-N-O,28.0,ABCD2E2_tI56_122_d_d_d_e_e:C-H-K-N-O +mp-24350,K2CoH8(CO5)2,-6.1063874548,-1.567468231,0.0302062985,0.0302062985,GGA+U,P2_1/c,A2BC8D2E10_mP46_14_e_a_4e_e_5e:C-Co-H-K-O,46.0,"Invalid WP multiplicities - A2BC8D2E10_mP46_14_e_a_5e_e_14e:C-Co-H-K-O, expected K2CoH10(CO14)2 to be K2CoH8(CO5)2" +mp-1212361,KH2C4N3O4,-6.7146941591,-0.3142118286,0.7687942144000001,0.7687942144000001,GGA,P2_1/c,A4B2CD3E4_mP56_14_4e_2e_e_3e_4e:C-H-K-N-O,56.0,A4B2CD3E4_mP56_14_4e_2e_e_3e_4e:C-H-K-N-O +mp-1211566,KHCN4O5,-6.7432940225,-0.7590262108,0.3877154957,0.3877154957,GGA,Cc,ABCD4E5_mC48_9_a_a_a_4a_5a:C-H-K-N-O,24.0,ABCD4E5_mC48_9_a_a_a_4a_5a:C-H-K-N-O +mp-1212205,KCoH2CN4O7,-5.8260089294,-0.0631567417,1.1457919925,1.1457919925,GGA+U,P2_1/c,ABC2DE4F7_mP64_14_e_e_2e_e_4e_7e:C-Co-H-K-N-O,64.0,ABC2DE4F7_mP64_14_e_e_2e_e_4e_7e:C-Co-H-K-N-O +mp-1196190,KH25C13(NO4)2,-5.7917533432,-0.4418002612,0.3069744226,0.3069744226,GGA,Pc,A13B25CD2E8_mP98_7_13a_25a_a_2a_8a:C-H-K-N-O,98.0,A13B25CD2E8_mP98_7_13a_25a_a_2a_8a:C-H-K-N-O +mp-1196673,K2CoH12(C2O7)2,-6.1850045944,-1.451364226,0.0707133198,0.0707133198,GGA+U,P2_1/c,A4BC12D2E14_mP66_14_2e_a_6e_e_7e:C-Co-H-K-O,66.0,A4BC12D2E14_mP66_14_2e_a_6e_e_7e:C-Co-H-K-O +mp-560575,V2B(PO4)3,-8.2453324277,-2.6649226518,0.0581780129,0.0581780129,GGA+U,P6_3/m,AB12C3D2_hP108_176_acd_6h3i_3h_i:B-O-P-V,108.0,"Invalid WP multiplicities - AB12C3D2_hP108_176_a2cd_33h27i_9h_i:B-O-P-V, expected V6B4(P3O29)9 to be V2B(PO4)3" +mp-767613,RbVBP2HO9,-7.6520761795,-2.619852088,0.0,-0.0078373899,GGA+U,P2_1/c,ABC9D2EF_mP60_14_e_e_9e_2e_e_e:B-H-O-P-Rb-V,60.0,"Invalid WP multiplicities - ABC9D2EF_mP60_14_e_e_35e_3e_e_e:B-H-O-P-Rb-V, expected RbVBP3HO35 to be RbVBP2HO9" +mp-1201601,RbVPHO6,-7.23876753,-2.3837074338,0.0,-0.0183254813,GGA+U,Pbca,AB6CDE_oP80_61_c_6c_c_c_c:H-O-P-Rb-V,80.0,AB6CDE_oP80_61_c_6c_c_c_c:H-O-P-Rb-V +mp-20230,PuOF,-10.793272215,-3.7512702121,0.0,-0.0417664839,GGA,P4/nmm,ABC_tP6_129_a_b_c:F-O-Pu,6.0,ABC_tP6_129_a_b_c:F-O-Pu +mp-35612,PuOF,-10.6988912867,-3.6568892837,0.0943809283,0.0526144444,GGA,F-43m,ABC_cF12_216_a_b_c:F-O-Pu,3.0,ABC_cF12_216_a_b_c:F-O-Pu +mp-505716,PuH18C3S3(O2F)9,-5.890452903,-1.6274536582,0.1486208481,0.1486208481,GGA,P6_3/m,A3B9C18D18EF3_hP104_176_h_hi_3i_2h2i_c_h:C-F-H-O-Pu-S,104.0,A3B9C18D18EF3_hP104_176_h_hi_3i_2h2i_c_h:C-F-H-O-Pu-S +mp-1209707,Pu2OF,-10.926545325,-2.0780842403,0.7353684187,0.7353684187,GGA,P4/mmm,ABC2_tP4_123_a_b_g:F-O-Pu,4.0,ABC2_tP4_123_a_b_g:F-O-Pu +mp-706514,H5CSO5F3,-5.5941272413,-1.5410188385,0.1218255542,0.1218255542,GGA,P2_1/c,AB3C5D5E_mP60_14_e_3e_5e_5e_e:C-F-H-O-S,60.0,AB3C5D5E_mP60_14_e_3e_5e_5e_e:C-F-H-O-S +mp-1181304,H5CSO5F3,-5.3577631953,-1.3046547925,0.3581896002,0.3581896002,GGA,P2_1/c,AB3C5D5E_mP60_14_e_3e_5e_5e_e:C-F-H-O-S,60.0,AB3C5D5E_mP60_14_e_3e_5e_5e_e:C-F-H-O-S +mp-720860,H9CSO7F3,-5.4713375321,-1.4589133585,0.1167046101,0.1167046101,GGA,P2_1/c,AB3C9D7E_mP84_14_e_3e_9e_7e_e:C-F-H-O-S,84.0,AB3C9D7E_mP84_14_e_3e_9e_7e_e:C-F-H-O-S +mp-1201933,HCS(OF)3,-5.82077877,-1.6727404988,0.1813644701,0.1813644701,GGA,P2_1/c,AB3CD3E_mP36_14_e_3e_e_3e_e:C-F-H-O-S,36.0,AB3CD3E_mP36_14_e_3e_e_3e_e:C-F-H-O-S +mp-24478,PuH8(SO6)2,-6.5097283475,-1.7687365667,0.0,-0.0068786734,GGA,Pnma,A8B12CD2_oP92_62_4d_2c5d_c_d:H-O-Pu-S,92.0,A8B12CD2_oP92_62_4d_2c5d_c_d:H-O-Pu-S +mp-1181494,H11CSO8F3,-5.2755936813,-1.2758833293,0.267795514,0.267795514,GGA,P-1,AB3C11D8E_aP48_2_i_3i_11i_8i_i:C-F-H-O-S,48.0,AB3C11D8E_aP48_2_i_3i_11i_8i_i:C-F-H-O-S +mp-1202796,H11CSO8F3,-5.4409812358,-1.4412708839,0.1024079594,0.1024079594,GGA,P-1,AB3C11D8E_aP48_2_i_3i_11i_8i_i:C-F-H-O-S,48.0,AB3C11D8E_aP48_2_i_3i_11i_8i_i:C-F-H-O-S +mp-24357,H3CSO4F3,-5.690573179,-1.6018660755,0.1351084074,0.1351084074,GGA,P2_1/c,AB3C3D4E_mP48_14_e_3e_3e_4e_e:C-F-H-O-S,48.0,"Invalid WP multiplicities - AB3C3D4E_mP48_14_e_6e_7e_11e_e:C-F-H-O-S, expected H7CSO11F6 to be H3CSO4F3" +mp-1200644,CaH36W6C12S6O25,-6.3001872188,-0.9382985936,0.2887826884,0.2887826884,GGA+U,P-1,A12BC36D25E6F6_aP86_2_6i_b_18i_e12i_3i_3i:C-Ca-H-O-S-W,86.0,A12BC36D25E6F6_aP86_2_6i_b_18i_e12i_3i_3i:C-Ca-H-O-S-W +mp-1215054,CaH6W3(CO2)2,-6.4052453372,-0.1877182953,1.00041034,1.00041034,GGA+U,P-1,A2BC6D4E3_aP32_2_2i_i_6i_4i_3i:C-Ca-H-O-W,32.0,A2BC6D4E3_aP32_2_2i_i_6i_4i_3i:C-Ca-H-O-W +mp-541353,K2(TcS2)3,-6.39786903,-1.1141041273,0.0,-0.1296788007,GGA,C2/c,A2B6C3_mC88_15_2ef_6f_3f:K-S-Tc,44.0,A2B6C3_mC88_15_2ef_6f_3f:K-S-Tc +mp-1179090,TcC4NO4,-7.4144772072,0.1253778613,1.2221432489,1.2221432489,GGA,P2_12_12,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc,40.0,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc +mp-1199543,TcC4NO4,-7.4683068845,0.071548184,1.1683135717,1.1683135717,GGA,P2_12_12,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc,40.0,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc +mp-1237438,TcC4NO4,-7.657254006,-0.1173989375,0.9793664502,0.9793664502,GGA,P2_12_12,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc,40.0,A4BC4D_oP40_18_4c_ab_4c_c:C-N-O-Tc +mp-1181454,K2TcC2S4NO4,-6.3038805575,-0.8961793388,0.4788394918,0.4788394918,GGA,P2_1/c,A2B2CD4E4F_mP56_14_2e_2e_e_4e_4e_e:C-K-N-O-S-Tc,56.0,A2B2CD4E4F_mP56_14_2e_2e_e_4e_4e_e:C-K-N-O-S-Tc +mp-1103993,K3TcC4(N2O)2,-7.3951968621,-0.6919215137,0.1722383525,0.1722383525,GGA,P-1,A4B3C4D2E_aP14_2_2i_bi_2i_i_c:C-K-N-O-Tc,14.0,A4B3C4D2E_aP14_2_2i_bi_2i_i_c:C-K-N-O-Tc +mp-766538,Li12V3CrP4(CO7)4,-7.3575206829,-2.4173861446,0.0757283698,0.0757283698,GGA+U,Pm,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Cr-Li-O-P-V,52.0,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Cr-Li-O-P-V +mp-756728,Li6VCrP2(CO7)2,-7.3560398842,-2.404960319,0.080079199,0.080079199,GGA+U,Pm,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Cr-Li-O-P-V,26.0,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Cr-Li-O-P-V +mp-766537,Li12VCr3P4(CO7)4,-7.3567654681,-2.3947408759,0.081089594,0.081089594,GGA+U,Pm,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Cr-Li-O-P-V,52.0,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Cr-Li-O-P-V +mp-560159,B6H21C5N2O,-5.4027060573,-0.2859459546,0.2215598493,0.2215598493,GGA,P-1,A6B5C21D2E_aP70_2_6i_5i_21i_2i_i:B-C-H-N-O,70.0,"Invalid WP multiplicities - A6B5C21D2E_aP70_2_12i_10i_40i_2i_i:B-C-H-N-O, expected B12H40C10N2O to be B6H21C5N2O" +mp-723094,B5H12C2NO10,-6.6184782992,-1.6061321519,0.0172514353,0.0172514353,GGA,C2/c,A5B2C12DE10_mC240_15_5f_2f_12f_f_10f:B-C-H-N-O,120.0,A5B2C12DE10_mC240_15_5f_2f_12f_f_10f:B-C-H-N-O +mp-1200331,MgB2H4C8(N4O)2,-7.5198688516,-0.3620837102,0.3950465993,0.3950465993,GGA,I-42d,A2B8C4DE8F2_tI100_122_d_2e_e_a_2e_c:B-C-H-Mg-N-O,50.0,A2B8C4DE8F2_tI100_122_d_2e_e_a_2e_c:B-C-H-Mg-N-O +mp-699412,B3H52C16(NO)12,-5.7221111109,-0.4219344671,0.3292560234,0.3292560234,GGA,Cmm2,A3B16C52D12E12_oC190_35_ac_2d2e2f_de12f_de2f_de2f:B-C-H-N-O,95.0,"Invalid WP multiplicities - A3B16C52D12E12_oC190_35_a2c_2d3e2f_de12f_de4f_de2f:B-C-H-N-O, expected B5H52C18(N5O3)4 to be B3H52C16(NO)12" +mp-1199767,MgB2H42C26(N7O3)2,-6.2511814952,-0.275468072,0.2829493934,0.2829493934,GGA,P-1,A2B26C42DE14F6_aP91_2_i_13i_21i_a_7i_3i:B-C-H-Mg-N-O,91.0,A2B26C42DE14F6_aP91_2_i_13i_21i_a_7i_3i:B-C-H-Mg-N-O +mp-558377,B2H12C3(NO)6,-6.6424846760000005,-1.0750159044,0.0045343001,0.0045343001,GGA,P2_1/c,A2B3C12D6E6_mP116_14_2e_3e_12e_6e_6e:B-C-H-N-O,116.0,"Invalid WP multiplicities - A2B3C12D6E6_mP116_14_8e_11e_45e_22e_24e:B-C-H-N-O, expected B8H45C11(N11O12)2 to be B2H12C3(NO)6" +mp-706227,BH5C4(N2O)2,-6.3837637229,0.1035513451,0.8803660201,0.8803660201,GGA,Pnn2,AB4C5D4E2_oP96_34_2ab_6c_a2b6c_6c_3c:B-C-H-N-O,96.0,"Invalid WP multiplicities - AB4C5D4E2_oP96_34_2a3b_21c_4a2b22c_21c_9c:B-C-H-N-O, expected B5H50C42(N7O3)6 to be BH5C4(N2O)2" +mp-699467,B3H12CN4O,-5.4079199018,-0.2520998182,0.4969544121,0.4969544121,GGA,P-1,A3BC12D4E_aP84_2_6i_2i_24i_8i_2i:B-C-H-N-O,84.0,A3BC12D4E_aP84_2_6i_2i_24i_8i_2i:B-C-H-N-O +mp-677715,B3H60C16(NO)12,-5.7043648634,-0.5523397224000001,0.1652028562,0.1652028562,GGA,P-43m,A3B16C60D12E12_cP103_215_c_ei_i2j_i_i:B-C-H-N-O,103.0,"Invalid WP multiplicities - A3B16C60D12E12_cP103_215_c_e2i_6i9j_i_i:B-C-H-N-O, expected B3H288C28(NO)12 to be B3H60C16(NO)12" +mp-734069,BH10C2N5O3,-6.3640171935,-0.8598970047000001,0.0109655631,0.0109655631,GGA,P2_12_12_1,AB2C10D5E3_oP84_19_a_2a_10a_5a_3a:B-C-H-N-O,84.0,AB2C10D5E3_oP84_19_a_2a_10a_5a_3a:B-C-H-N-O +mp-1200021,Co3P4H8N2(O3F)4,-6.3895013474,-1.728921286,0.175159185,0.175159185,GGA+U,P2_1/c,A3B4C8D2E12F4_mP66_14_ae_2e_4e_e_6e_2e:Co-F-H-N-O-P,66.0,A3B4C8D2E12F4_mP66_14_ae_2e_4e_e_6e_2e:Co-F-H-N-O-P +mp-695928,CoPH6O6F,-6.019744908,-1.7217723876000002,0.0107288618,0.0107288618,GGA+U,P-1,ABC6D6E_aP30_2_bd_i_6i_6i_i:Co-F-H-O-P,60.0,"Invalid WP multiplicities - ABC6D6E_aP30_2_2b2d_i_6i_6i_i:Co-F-H-O-P, expected Co2PH6O6F to be CoPH6O6F" +mp-694992,CoP2H18(NF2)6,-5.3275305826,-1.4311021524,0.0373399884,0.0373399884,GGA+U,P1,AB12C18D6E2_aP39_1_a_12a_18a_6a_2a:Co-F-H-N-P,39.0,AB12C18D6E2_aP39_1_a_12a_18a_6a_2a:Co-F-H-N-P +mp-1199673,Co5P4H12(O8F)2,-6.2680228215,-1.6301384919,0.1031245141,0.1031245141,GGA+U,Aea2,A5B2C12D16E4_oC156_41_a2b_b_6b_8b_2b:Co-F-H-O-P,78.0,A5B2C12D16E4_oC156_41_a2b_b_6b_8b_2b:Co-F-H-O-P +mp-1203204,UC3N4O11,-6.9616383274,-0.2912719057,1.4164657071,1.4164657071,GGA,C2/c,A3B4C11D_mC76_15_ef_2f_e5f_e:C-N-O-U,38.0,A3B4C11D_mC76_15_ef_2f_e5f_e:C-N-O-U +mp-726441,UC3NO8,-8.3036444225,-1.6199974146,0.5152123836,0.5152123836,GGA,P2_1/c,A3BC8D_mP52_14_3e_e_8e_e:C-N-O-U,52.0,A3BC8D_mP52_14_3e_e_8e_e:C-N-O-U +mp-1195416,Cs2UC2S2(NO2)4,-7.2736876074,-1.3404278777,0.4506599009,0.4506599009,GGA,Pnma,A2B2C4D8E2F_oP76_62_d_2c_2d_2c3d_d_c:C-Cs-N-O-S-U,76.0,A2B2C4D8E2F_oP76_62_d_2c_2d_2c3d_d_c:C-Cs-N-O-S-U +mp-1197465,UC4S2(NO5)2,-6.8079485145,-0.3543248999,1.4320027418,1.4320027418,GGA,C2/c,A4B2C10D2E_mC76_15_2f_f_5f_f_c:C-N-O-S-U,38.0,A4B2C10D2E_mC76_15_2f_f_5f_f_a:C-N-O-S-U +mp-1204041,U2C4NO15,-8.0801046091,-1.6239997189,0.7023588272,0.7023588272,GGA,P2_1/m,A4BC15D2_mP44_11_2f_e_3e6f_f:C-N-O-U,44.0,A4BC15D2_mP44_11_2f_e_3e6f_f:C-N-O-U +mp-728536,UC5N12O13,-7.2894247563,-0.1352431492,1.1875856608,1.1875856608,GGA,P2_1/c,A5B12C13D_mP124_14_5e_12e_13e_e:C-N-O-U,124.0,A5B12C13D_mP124_14_5e_12e_13e_e:C-N-O-U +mp-1202911,U2C6NO14,-8.2232307412,-1.4604068343,0.7223941638,0.7223941638,GGA,P2_1/c,A6BC14D2_mP92_14_6e_e_14e_2e:C-N-O-U,92.0,A6BC14D2_mP92_14_6e_e_14e_2e:C-N-O-U +mp-1203409,UC2S(NO2)4,-7.6807994233,-1.0055069075,0.7331707192,0.7331707192,GGA,P2_1/c,A2B4C8DE_mP64_14_2e_4e_8e_e_e:C-N-O-S-U,64.0,A2B4C8DE_mP64_14_2e_4e_8e_e_e:C-N-O-S-U +mp-1204770,UC2S(NO2)4,-7.6879296683,-1.0126371525,0.7260404742000001,0.7260404742000001,GGA,P2_1/c,A2B4C8DE_mP64_14_2e_4e_8e_e_e:C-N-O-S-U,64.0,A2B4C8DE_mP64_14_2e_4e_8e_e_e:C-N-O-S-U +mp-1193465,UC3S(NO4)2,-7.3594377593,-0.7354140330000001,1.1441499928,1.1441499928,GGA,C2/c,A3B2C8DE_mC60_15_ef_2e_4f_e_e:C-N-O-S-U,30.0,A3B2C8DE_mC60_15_ef_2e_4f_e_e:C-N-O-S-U +mp-1208253,UC3S(NO4)2,-7.449706383,-0.8256826567000001,1.0538813691,1.0538813691,GGA,C2/c,A3B2C8DE_mC60_15_ef_2e_4f_e_e:C-N-O-S-U,30.0,A3B2C8DE_mC60_15_ef_2e_4f_e_e:C-N-O-S-U +mp-1203334,BP(H3N)3,-5.1985699025,-0.3673760841,0.0829247465,0.0829247465,GGA,P2_1/c,AB9C3D_mP56_14_e_9e_3e_e:B-H-N-P,56.0,AB9C3D_mP56_14_e_9e_3e_e:B-H-N-P +mp-752709,InBP2H5NO9,-6.7370481087,-1.9961005263,0.0,-0.0125887268,GGA,P-1,AB5CDE9F2_aP38_2_i_5i_i_i_9i_2i:B-H-In-N-O-P,38.0,"Invalid WP multiplicities - AB5CDE9F2_aP38_2_i_9i_i_i_17i_3i:B-H-In-N-O-P, expected InBP3H9NO17 to be InBP2H5NO9" +mp-778840,InP2H6NO8,-6.3468123003,-1.7998873209,0.0084741103,0.0084741103,GGA,P2_1/c,A6BCD8E2_mP72_14_6e_e_e_8e_2e:H-In-N-O-P,72.0,"Invalid WP multiplicities - A6BCD8E2_mP72_14_21e_e_e_31e_3e:H-In-N-O-P, expected InP3H21NO31 to be InP2H6NO8" +mp-1201067,InP2H6NO8,-6.3547331435,-1.8078081641,0.0005532671,0.0005532671,GGA,P2_1/c,A6BCD8E2_mP72_14_6e_e_e_8e_2e:H-In-N-O-P,72.0,A6BCD8E2_mP72_14_6e_e_e_8e_2e:H-In-N-O-P +mp-764968,InPH5NO5,-6.0897737738,-1.6129618552,0.0,-0.0032055911,GGA,P4_32_12,A5BCD5E_tP104_96_5b_2a_b_5b_b:H-In-N-O-P,104.0,"Invalid WP multiplicities - A5BCD5E_tP104_96_37b_5a_b_29b_b:H-In-N-O-P, expected In5P2H74(NO29)2 to be InPH5NO5" +mp-707924,InPH4NO5,-6.0475092898,-1.4803568816,0.2038818199,0.2038818199,GGA,P4_32_12,A4BCD5E_tP96_96_4b_2a_b_5b_b:H-In-N-O-P,96.0,A4BCD5E_tP96_96_4b_2a_b_5b_b:H-In-N-O-P +mp-698151,InP2H4NO8,-6.3772082792,-1.6860084331,0.2377200636,0.2377200636,GGA,P2_1/c,A4BCD8E2_mP64_14_4e_e_e_8e_2e:H-In-N-O-P,64.0,A4BCD8E2_mP64_14_4e_e_e_8e_2e:H-In-N-O-P +mp-773646,InP2H9(NO4)2,-6.1390610659,-1.577273671,0.0090719266,0.0090719266,GGA,Cc,A9BC2D8E2_mC88_9_9a_a_2a_8a_2a:H-In-N-O-P,44.0,"Invalid WP multiplicities - A9BC2D8E2_mC88_9_16a_a_2a_14a_2a:H-In-N-O-P, expected InP2H16(NO7)2 to be InP2H9(NO4)2" +mp-1205181,InP2H9(NO4)2,-6.1388459648,-1.5770585698,0.0092870278,0.0092870278,GGA,Fdd2,A9BC2D8E2_oF176_43_a4b_a_b_4b_b:H-In-N-O-P,44.0,A9BC2D8E2_oF176_43_a4b_a_b_4b_b:H-In-N-O-P +mp-1246039,InBN2,-6.9813473,-0.4553309623,0.31478364,0.31478364,GGA,R-3m,ABC2_hR12_166_a_b_c:B-In-N,4.0,ABC2_hR12_166_a_b_c:B-In-N +mp-1246811,InBN2,-6.9746876788000005,-0.448671341,0.3214432612,0.3214432612,GGA,P6_3/mmc,ABC2_hP8_194_c_a_f:B-In-N,8.0,ABC2_hP8_194_c_a_f:B-In-N +mp-1197636,B6P2H14N2O19,-6.6969682088,-1.8350799383,0.1244045281,0.1244045281,GGA,P-1,A6B14C2D19E2_aP43_2_3i_7i_i_a9i_i:B-H-N-O-P,43.0,A6B14C2D19E2_aP43_2_3i_7i_i_a9i_i:B-H-N-O-P +mp-720519,KCd2H8C10N15O4,-6.9462675983,-0.2657970865,0.2771526871,0.2771526871,GGA,P1,A10B2C8DE15F4_aP80_1_20a_4a_16a_2a_30a_8a:C-Cd-H-K-N-O,80.0,A10B2C8DE15F4_aP80_1_20a_4a_16a_2a_30a_8a:C-Cd-H-K-N-O +mp-1212169,K2CdH2C8(N3O4)2,-7.4215371013,-1.0011318078,0.0782328801,0.0782328801,GGA,P-1,A8BC2D2E6F8_aP54_2_8i_i_2i_2i_6i_8i:C-Cd-H-K-N-O,54.0,A8BC2D2E6F8_aP54_2_8i_i_2i_2i_6i_8i:C-Cd-H-K-N-O +mp-1200478,AsH9C2S(NO)4,-6.0636068662,-0.7816940944,0.0812487594,0.0812487594,GGA,P-1,AB2C9D4E4F_aP42_2_i_2i_9i_4i_4i_i:As-C-H-N-O-S,42.0,AB2C9D4E4F_aP42_2_i_2i_9i_4i_4i_i:As-C-H-N-O-S +mp-1233682,MgP4H24(NO)8,-5.6402195364,-0.9525665532,0.1313714548,0.1313714548,GGA,P1,A24BC8D8E4_aP45_1_24a_a_8a_8a_4a:H-Mg-N-O-P,45.0,A24BC8D8E4_aP45_1_24a_a_8a_8a_4a:H-Mg-N-O-P +mp-1234393,MgP4H24(NO)8,-5.6439971147,-0.9563441314,0.1275938766,0.1275938766,GGA,P1,A24BC8D8E4_aP45_1_24a_a_8a_8a_4a:H-Mg-N-O-P,45.0,A24BC8D8E4_aP45_1_24a_a_8a_8a_4a:H-Mg-N-O-P +mp-1202715,MgP6H24(N2O11)2,-6.194273242,-1.6735951452000002,0.0192802037,0.0192802037,GGA,P2_1/c,A24BC4D22E6_mP114_14_12e_a_2e_11e_3e:H-Mg-N-O-P,114.0,A24BC4D22E6_mP114_14_12e_a_2e_11e_3e:H-Mg-N-O-P +mp-504807,MgP2H20C4(N2O3)4,-6.3767316311,-1.2012360594,0.0247335012,0.0247335012,GGA,P2_1/c,A4B20CD8E12F2_mP94_14_2e_10e_a_4e_6e_e:C-H-Mg-N-O-P,94.0,A4B20CD8E12F2_mP94_14_2e_10e_a_4e_6e_e:C-H-Mg-N-O-P +mp-728943,Mg3P4H28(NO12)2,-4.2483832648,-0.037827554,1.7006144815000002,1.7006144815000002,GGA,P-1,A28B3C2D24E4_aP61_2_14i_ai_i_12i_2i:H-Mg-N-O-P,61.0,A28B3C2D24E4_aP61_2_14i_ai_i_12i_2i:H-Mg-N-O-P +mp-706335,Mg3P4H28(NO12)2,-5.9454161111,-1.7348604004,0.0035816351,0.0035816351,GGA,P-1,A28B3C2D24E4_aP61_2_14i_ai_i_12i_2i:H-Mg-N-O-P,61.0,A28B3C2D24E4_aP61_2_14i_ai_i_12i_2i:H-Mg-N-O-P +mp-721161,MgPH16NO10,-5.6133026247,-1.5063860276,0.0014077936,0.0014077936,GGA,Pmn2_1,A16BCD10E_oP58_31_4a6b_a_a_4a3b_a:H-Mg-N-O-P,58.0,A16BCD10E_oP58_31_4a6b_a_a_4a3b_a:H-Mg-N-O-P +mp-1210838,MgPH6NO5,-5.6270064964,-1.309872403,0.4397854905,0.4397854905,GGA,Pmn2_1,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-Mg-N-O-P,28.0,A6BCD5E_oP28_31_2a2b_a_a_3ab_a:H-Mg-N-O-P +mp-1195623,MgP6(HN3)4,-7.0953626452,-0.6741044552000001,0.0,-0.0532538409,GGA,Cmce,A4BC12D6_oC92_64_g_a_2f2g_fg:H-Mg-N-P,46.0,A4BC12D6_oC92_64_g_a_2f2g_fg:H-Mg-N-P +mp-1202408,MgP3H16C3NO12,-6.0301303117,-1.3771703054,0.0965802535,0.0965802535,GGA,P2_1/c,A3B16CDE12F3_mP144_14_3e_16e_e_e_12e_3e:C-H-Mg-N-O-P,144.0,A3B16CDE12F3_mP144_14_3e_16e_e_e_12e_3e:C-H-Mg-N-O-P +mp-24303,Mg3P4H48(NO15)2,-5.5465706576,-1.4732539734,0.011212359,0.011212359,GGA,C2/m,A48B3C2D30E4_mC174_12_6i9j_ai_i_5i5j_2i:H-Mg-N-O-P,87.0,"Invalid WP multiplicities - A48B3C2D30E4_mC174_12_6i12j_ai_i_5i5j_2i:H-Mg-N-O-P, expected Mg3P4H60(NO15)2 to be Mg3P4H48(NO15)2" +mp-1204422,MgP2H10(NO4)2,-6.041970058,-1.581072447,0.0912186389,0.0912186389,GGA,P2_1/c,A10BC2D8E2_mP92_14_10e_e_2e_8e_2e:H-Mg-N-O-P,92.0,A10BC2D8E2_mP92_14_10e_e_2e_8e_2e:H-Mg-N-O-P +mp-707929,LiBH2C4O9,-7.44745645,-1.7528313265,0.0746393044,0.0746393044,GGA,Pbca,AB4C2DE9_oP136_61_c_4c_2c_c_9c:B-C-H-Li-O,136.0,AB4C2DE9_oP136_61_c_4c_2c_c_9c:B-C-H-Li-O +mp-1196081,LiBH4C2(O3F)2,-6.5183488198,-1.8858713195,0.0642935609,0.0642935609,GGA,P2_1/c,AB2C2D4EF6_mP64_14_e_2e_2e_4e_e_6e:B-C-F-H-Li-O,64.0,AB2C2D4EF6_mP64_14_e_2e_2e_4e_e_6e:B-C-F-H-Li-O +mp-1105683,LiBC2(O2F)2,-7.3338058735,-2.2682700332,0.075965395,0.075965395,GGA,Cmcm,AB2C2DE4_oC40_63_c_f_g_c_2f:B-C-F-Li-O,20.0,AB2C2DE4_oC40_63_c_f_g_c_2f:B-C-F-Li-O +mp-730585,LiBH2OF4,-5.692487959,-2.5851133692,0.0117142687,0.0117142687,GGA,Pnna,AB4C2DE_oP72_52_e_4e_2e_cd_e:B-F-H-Li-O,72.0,AB4C2DE_oP72_52_e_4e_2e_cd_e:B-F-H-Li-O +mp-1196309,Cr3P2H40(C8O5)2,-5.7178406471,-0.4696670666,0.2559472943,0.2559472943,GGA+U,P2_1/c,A16B3C40D10E2_mP284_14_16e_3e_40e_10e_2e:C-Cr-H-O-P,284.0,A16B3C40D10E2_mP284_14_16e_3e_40e_10e_2e:C-Cr-H-O-P +mp-735484,CrP2H17N4O9,-6.0312197494,-1.3032751024,0.0302838106,0.0302838106,GGA+U,P2_1/c,AB17C4D9E2_mP132_14_e_17e_4e_9e_2e:Cr-H-N-O-P,132.0,AB17C4D9E2_mP132_14_e_17e_4e_9e_2e:Cr-H-N-O-P +mp-698227,CrP2H13(NO5)2,-6.1918691375,-1.5231202793,0.0255683567,0.0255683567,GGA+U,P-1,AB13C2D10E2_aP56_2_i_13i_2i_10i_2i:Cr-H-N-O-P,56.0,AB13C2D10E2_aP56_2_i_13i_2i_10i_2i:Cr-H-N-O-P +mp-558884,CrP3H17N3O13,-6.0178672141,-1.3452797607,0.2009095285,0.2009095285,GGA+U,P2_1/c,AB17C3D13E3_mP148_14_ad_17e_3e_13e_3e:Cr-H-N-O-P,148.0,"Invalid WP multiplicities - AB17C3D13E3_mP148_14_2ab_66e_9e_49e_9e:Cr-H-N-O-P, expected Cr3P18H132(N9O49)2 to be CrP3H17N3O13" +mp-734315,Cr4PN3O16,-6.7883810875,-0.6141312316,1.0610934085,1.0610934085,GGA+U,R3m,A4B3C16D_hR72_160_ab_b_a3bc_a:Cr-N-O-P,24.0,A4B3C16D_hR72_160_ab_b_a3bc_a:Cr-N-O-P +mp-720256,CrP2H14(NO3)3,-6.152206111,-1.41056817,0.0325694108,0.0325694108,GGA+U,P2_1/c,AB14C3D9E2_mP116_14_e_14e_3e_9e_2e:Cr-H-N-O-P,116.0,AB14C3D9E2_mP116_14_e_14e_3e_9e_2e:Cr-H-N-O-P +mp-1196509,CrP3H16C3NO12,-6.1754034133,-1.2987554231,0.1060233158,0.1060233158,GGA+U,P2_1/c,A3BC16DE12F3_mP144_14_3e_e_16e_e_12e_3e:C-Cr-H-N-O-P,144.0,A3BC16DE12F3_mP144_14_3e_e_16e_e_12e_3e:C-Cr-H-N-O-P +mp-1198661,CrP2H14C9O4,-6.0680553338,-0.3739699541,0.3013761077,0.3013761077,GGA+U,P2_1/c,A9BC14D4E2_mP120_14_9e_e_14e_4e_2e:C-Cr-H-O-P,120.0,A9BC14D4E2_mP120_14_9e_e_14e_4e_2e:C-Cr-H-O-P +mp-1196337,CrPH12(CO)4,-5.5562131044,-0.4434640439,0.4383531366,0.4383531366,GGA+U,Pbca,A4BC12D4E_oP176_61_4c_c_12c_4c_c:C-Cr-H-O-P,176.0,A4BC12D4E_oP176_61_4c_c_12c_4c_c:C-Cr-H-O-P +mp-698222,CrP2H15N2O11,-6.0961916163,-1.5008010088,0.0220842773,0.0220842773,GGA+U,C2/m,AB15C2D11E2_mC124_12_i_g2i6j_2i_i5j_j:Cr-H-N-O-P,62.0,AB15C2D11E2_mC124_12_i_g2i6j_2i_i5j_j:Cr-H-N-O-P +mp-720258,CrP2H16N3O10,-5.6989722153,-1.0352334312,0.3932784186,0.3932784186,GGA+U,P2_1/c,AB16C3D10E2_mP128_14_e_16e_3e_10e_2e:Cr-H-N-O-P,128.0,AB16C3D10E2_mP128_14_e_16e_3e_10e_2e:Cr-H-N-O-P +mp-1182808,CrP2H16N3O10,-6.0650065286,-1.4012677445,0.0272441053,0.0272441053,GGA+U,P2_1/c,AB16C3D10E2_mP128_14_e_16e_3e_10e_2e:Cr-H-N-O-P,128.0,AB16C3D10E2_mP128_14_e_16e_3e_10e_2e:Cr-H-N-O-P +mp-1197675,H6PdC2(SO3)2,-5.7076299047,-0.8872416067000001,0.3669333076,0.3669333076,GGA,P2_1/c,A2B6C6DE2_mP34_14_e_3e_3e_a_e:C-H-O-Pd-S,34.0,A2B6C6DE2_mP34_14_e_3e_3e_a_e:C-H-O-Pd-S +mp-1213275,H10PdC2S2(N4O3)2,-6.1427995882,-0.5493697728,0.3119396425,0.3119396425,GGA,P2_1/c,A2B10C8D6EF2_mP116_14_2e_10e_8e_6e_e_2e:C-H-N-O-Pd-S,116.0,A2B10C8D6EF2_mP116_14_2e_10e_8e_6e_e_2e:C-H-N-O-Pd-S +mp-1212583,H16PdC4S4(N5O3)2,-6.0565074149,-0.5450673787,0.2049028631,0.2049028631,GGA,P-1,A4B16C10D6EF4_aP41_2_2i_8i_5i_3i_a_2i:C-H-N-O-Pd-S,41.0,A4B16C10D6EF4_aP41_2_2i_8i_5i_3i_a_2i:C-H-N-O-Pd-S +mp-1200471,CsV3B2P4(H4O11)2,-7.3002644918,-2.3220626378,0.0,-0.0138142741,GGA+U,C2/m,A2BC8D22E4F3_mC80_12_g_c_2j_i5j_j_bf:B-Cs-H-O-P-V,40.0,A2BC8D22E4F3_mC80_12_g_c_2j_i5j_j_ae:B-Cs-H-O-P-V +mp-510020,NaVBP2H3O10,-7.243804255,-2.3794990664,0.0004954467,0.0004954467,GGA+U,C2/c,AB3CD10E2F_mC72_15_e_cf_e_5f_f_d:B-H-Na-O-P-V,36.0,AB3CD10E2F_mC72_15_e_af_e_5f_f_b:B-H-Na-O-P-V +mp-1640545,Na2VBPO7,-7.4280940735,-2.5573880808,0.086687961,0.086687961,GGA+U,P-1,AB2C7DE_aP48_2_2i_4i_14i_2i_2i:B-Na-O-P-V,48.0,"Invalid WP multiplicities - AB2C7DE_aP48_2_4i_8i_28i_4i_2i:B-Na-O-P-V, expected Na4VB2(PO7)2 to be Na2VBPO7" +mp-1644086,Na2VBPO7,-7.4272446379,-2.5565386452,0.0875373966,0.0875373966,GGA+U,Cm,AB2C7DE_mC96_8_2ab_4b_10a9b_2ab_2ab:B-Na-O-P-V,48.0,"Invalid WP multiplicities - AB2C7DE_mC96_8_2ab_7b_10a12b_2ab_2a2b:B-Na-O-P-V, expected Na7V3B2P2O17 to be Na2VBPO7" +mp-768554,Na2VBPO7,-7.4296517573,-2.5589457645,0.0851302772,0.0851302772,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Na-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Na-O-P-V +mp-780410,Na6V2B4PO16,-7.2653915783,-2.5281207896,0.0716763016,0.0716763016,GGA+U,Fd-3,A4B6C16DE2_cF232_203_e_f_eg_a_d:B-Na-O-P-V,58.0,"Invalid WP multiplicities - A4B6C16DE2_cF232_203_e_f_6e7g_a_d:B-Na-O-P-V, expected Na6V2B4PO108 to be Na6V2B4PO16" +mp-746817,NaV2P2(H4O7)2,-6.6644198204,-1.9713682365,0.0271254033,0.0271254033,GGA+U,P-1,A8BC14D2E2_aP54_2_8i_i_14i_2i_2i:H-Na-O-P-V,54.0,A8BC14D2E2_aP54_2_8i_i_14i_2i_2i:H-Na-O-P-V +mp-756707,Na3VBPO7,-7.1881448394,-2.5903758235,0.0136133139,0.0136133139,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-P-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-P-V +mp-707177,HC5N3(OF4)2,-6.6878538357,-1.438867128,0.0502646693,0.0502646693,GGA,P2_1/c,A5B8CD3E2_mP76_14_5e_8e_e_3e_2e:C-F-H-N-O,76.0,A5B8CD3E2_mP76_14_5e_8e_e_3e_2e:C-F-H-N-O +mp-720721,SiH18C4N8(O2F3)2,-6.105582686,-1.1944452016,0.0295516532,0.0295516532,GGA,P4_12_12,A4B6C18D8E4F_tP164_92_2b_3b_2a8b_4b_2b_a:C-F-H-N-O-Si,164.0,A4B6C18D8E4F_tP164_92_2b_3b_2a8b_4b_2b_a:C-F-H-N-O-Si +mp-849790,SiH21C6N2OF5,-5.3707277153,-0.8367935117,0.1184833553,0.1184833553,GGA,P2_1/c,A6B5C21D2EF_mP144_14_6e_5e_21e_2e_e_e:C-F-H-N-O-Si,144.0,"Invalid WP multiplicities - A6B5C21D2EF_mP144_14_19e_17e_81e_7e_e_e:C-F-H-N-O-Si, expected SiH81C19N7OF17 to be SiH21C6N2OF5" +mp-722686,SiH10C2N4(OF3)2,-5.9997408964000005,-1.4990152807,0.0250450115,0.0250450115,GGA,Pbca,A2B6C10D4E2F_oP100_61_c_3c_5c_2c_c_a:C-F-H-N-O-Si,100.0,A2B6C10D4E2F_oP100_61_c_3c_5c_2c_c_a:C-F-H-N-O-Si +mp-766429,SiH18C2N8(OF3)2,-5.7832213949,-1.1073854907,0.0898425833,0.0898425833,GGA,P-1,A2B6C18D8E2F_aP37_2_i_3i_9i_4i_i_a:C-F-H-N-O-Si,37.0,"Invalid WP multiplicities - A2B6C18D8E2F_aP37_2_i_5i_17i_7i_i_a:C-F-H-N-O-Si, expected SiH34C2N14(OF5)2 to be SiH18C2N8(OF3)2" +mp-728079,ZrN3O3F7,-6.3013037171,-1.8886176949,0.0757781571,0.0757781571,GGA,P-1,A7B3C3D_aP28_2_7i_3i_3i_i:F-N-O-Zr,28.0,A7B3C3D_aP28_2_7i_3i_3i_i:F-N-O-Zr +mp-1193031,ZrP2N3O8F,-7.193306215,-1.4687209433,0.8205815542,0.8205815542,GGA,C2,AB3C8D2E_mC60_5_c_ab2c_8c_2c_c:F-N-O-P-Zr,30.0,AB3C8D2E_mC60_5_c_ab2c_8c_2c_c:F-N-O-P-Zr +mp-1105376,ZrPCN(OF)3,-7.437243872,-2.227177213,0.4988291971,0.4988291971,GGA,P-1,AB3CD3EF_aP20_2_i_3i_i_3i_i_bd:C-F-N-O-P-Zr,20.0,AB3CD3EF_aP20_2_i_3i_i_3i_i_bd:C-F-N-O-P-Zr +mp-1207474,Zr4N3OF5,-8.800746739200001,-3.1311797512,0.0,-0.0198308564,GGA,P2_1/c,A5B3CD4_mP52_14_5e_3e_e_4e:F-N-O-Zr,52.0,A5B3CD4_mP52_14_5e_3e_e_4e:F-N-O-Zr +mp-1189360,ZrP2N4(O4F)2,-6.8441035406,-1.1901768954,0.9609428994,0.9609428994,GGA,P-1,A2B4C8D2E_aP17_2_i_2i_4i_i_a:F-N-O-P-Zr,17.0,A2B4C8D2E_aP17_2_i_2i_4i_i_a:F-N-O-P-Zr +mp-1195139,ScH4(SO5)2,-6.4432012591,-1.8759565455,0.0802377411,0.0802377411,GGA,P2_1/c,A4B10C2D_mP68_14_4e_10e_2e_e:H-O-S-Sc,68.0,A4B10C2D_mP68_14_4e_10e_2e_e:H-O-S-Sc +mp-1209008,ScS2NO8,-6.7907261992,-1.5811117447,0.5528079314000001,0.5528079314000001,GGA,P321,AB8C2D_hP12_150_a_dg_d_b:N-O-S-Sc,12.0,AB8C2D_hP12_150_a_dg_d_b:N-O-S-Sc +mp-1246833,Sc4S3N2,-8.1644343222,-2.1186325588,0.0420544031,0.0420544031,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Sc,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Sc +mp-1246111,Sc4S3N2,-8.0929257722,-2.0471240088,0.1135629531,0.1135629531,GGA,Pnnm,A2B3C4_oP18_58_g_ag_2g:N-S-Sc,18.0,A2B3C4_oP18_58_g_ag_2g:N-S-Sc +mp-559113,ScH24C3S3(N3O5)3,-6.1732620822,-1.1354070775,0.0298941723,0.0298941723,GGA,R-3,A3B24C9D15E3F_hR330_148_f_8f_3f_5f_f_ab:C-H-N-O-S-Sc,110.0,"Invalid WP multiplicities - A3B24C9D15E3F_hR330_148_f_41f_11f_25f_f_ab:C-H-N-O-S-Sc, expected ScH123C3S3(N11O25)3 to be ScH24C3S3(N3O5)3" +mp-1201714,ScH15C3(SO4)3,-5.8761514021,-1.2679463905,0.1452143547,0.1452143547,GGA,R-3,A3B15C12D3E_hR408_148_2f_10f_8f_2f_abc:C-H-O-S-Sc,136.0,A3B15C12D3E_hR408_148_2f_10f_8f_2f_abc:C-H-O-S-Sc +mp-656207,Sc2H10S3O17,-6.0361756737,-1.5644489128,0.4074434809,0.4074434809,GGA,P-1,A10B17C3D2_aP64_2_10i_17i_3i_abi:H-O-S-Sc,64.0,"Invalid WP multiplicities - A10B17C3D2_aP64_2_19i_34i_6i_ab2i:H-O-S-Sc, expected Sc3H19(S3O17)2 to be Sc2H10S3O17" +mp-1179577,Sc2H10S3O17,-5.8986841991,-1.4269574381,0.5449349555,0.5449349555,GGA,P-1,A10B17C3D2_aP64_2_10i_17i_3i_abi:H-O-S-Sc,64.0,"Invalid WP multiplicities - A10B17C3D2_aP64_2_19i_34i_6i_ab2i:H-O-S-Sc, expected Sc3H19(S3O17)2 to be Sc2H10S3O17" +mp-1179624,Sc2H10S3O17,-5.9359400141,-1.4642132531,0.5076791405000001,0.5076791405000001,GGA,P-1,A10B17C3D2_aP64_2_10i_17i_3i_aci:H-O-S-Sc,64.0,"Invalid WP multiplicities - A10B17C3D2_aP64_2_19i_34i_6i_ac2i:H-O-S-Sc, expected Sc3H19(S3O17)2 to be Sc2H10S3O17" +mp-1237677,Sc2H10S3O17,-5.8936839009,-1.4219571399,0.5499352537000001,0.5499352537000001,GGA,P-1,A10B17C3D2_aP64_2_10i_17i_3i_abi:H-O-S-Sc,64.0,A10B17C3D2_aP64_2_10i_17i_3i_abi:H-O-S-Sc +mp-1173398,Sc2H14S4N2O21,-6.2642988537,-1.6768022236,0.0911392833,0.0911392833,GGA,P1,A14B2C21D4E2_aP43_1_14a_2a_21a_4a_2a:H-N-O-S-Sc,43.0,A14B2C21D4E2_aP43_1_14a_2a_21a_4a_2a:H-N-O-S-Sc +mp-1225639,FeP2H6NO8,-6.5609018928000005,-1.6962914979,0.0731361667,0.0731361667,GGA+U,P-1,AB6CD8E2_aP54_2_bi_9i_ei_12i_3i:Fe-H-N-O-P,54.0,AB6CD8E2_aP54_2_bi_9i_ei_12i_3i:Fe-H-N-O-P +mp-1194931,FePH4(NO2)2,-6.6612597077,-1.3350953251,0.1096313418,0.1096313418,GGA+U,Pccn,AB4C2D4E_oP48_56_a_2e_e_2e_c:Fe-H-N-O-P,48.0,AB4C2D4E_oP48_56_a_2e_e_2e_c:Fe-H-N-O-P +mp-1181488,FePH6(NO2)2,-6.3537689612,-1.3038100554,0.0316952857,0.0316952857,GGA+U,P2_1/c,AB6C2D4E_mP56_14_e_6e_2e_4e_e:Fe-H-N-O-P,56.0,AB6C2D4E_mP56_14_e_6e_2e_4e_e:Fe-H-N-O-P +mp-1181336,FePH6(NO2)2,-6.3507411377,-1.3007822318,0.0347231092,0.0347231092,GGA+U,Pnma,AB6C2D4E_oP56_62_c_2c2d_2c_2cd_c:Fe-H-N-O-P,56.0,AB6C2D4E_oP56_62_c_2c2d_2c_2cd_c:Fe-H-N-O-P +mp-23881,Fe2P2H9NO11,-6.5261560408,-1.6841059373,0.01312588,0.01312588,GGA+U,P2_1/c,A2B9CD11E2_mP100_14_2e_9e_e_11e_2e:Fe-H-N-O-P,100.0,A2B9CD11E2_mP100_14_2e_9e_e_11e_2e:Fe-H-N-O-P +mp-743549,Fe3P8H26NO36,-6.2400516599,-1.6002591006,0.2381169176,0.2381169176,GGA+U,C2/c,A3B26CD36E8_mC296_15_ef_13f_e_18f_4f:Fe-H-N-O-P,148.0,A3B26CD36E8_mC296_15_ef_13f_e_18f_4f:Fe-H-N-O-P +mp-1288991,FePH6NO5,-6.3156040636,-1.507774173,0.003794877,0.003794877,GGA+U,P1,AB6CD5E_aP56_1_4a_24a_4a_20a_4a:Fe-H-N-O-P,56.0,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Fe-H-N-O-P +mp-1281631,FePH6NO5,-6.3160240375,-1.5081941469,0.003374903,0.003374903,GGA+U,P2_1,AB6CD5E_mP28_4_a_6a_a_5a_a:Fe-H-N-O-P,56.0,"Invalid WP multiplicities - AB6CD5E_mP28_4_a_10a_a_7a_a:Fe-H-N-O-P, expected FePH10NO7 to be FePH6NO5" +mp-1273743,FePH6NO5,-6.3157601957,-1.5079303051,0.0036387448,0.0036387448,GGA+U,Pc,AB6CD5E_mP28_7_a_6a_a_5a_a:Fe-H-N-O-P,28.0,"Invalid WP multiplicities - AB6CD5E_mP28_7_a_8a_a_6a_a:Fe-H-N-O-P, expected FePH8NO6 to be FePH6NO5" +mp-1274025,FePH6NO5,-6.3154021784,-1.5075722878,0.0039967621,0.0039967621,GGA+U,Cc,AB6CD5E_mC112_9_2a_12a_2a_10a_2a:Fe-H-N-O-P,56.0,"Invalid WP multiplicities - AB6CD5E_mP28_7_a_8a_a_6a_a:Fe-H-N-O-P, expected FePH8NO6 to be FePH6NO5" +mp-735529,FePH6NO5,-6.3156016711,-1.5077717805000002,0.0037972695,0.0037972695,GGA+U,Pmn2_1,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Fe-H-N-O-P,28.0,AB6CD5E_oP28_31_a_2a2b_a_3ab_a:Fe-H-N-O-P +mp-1273649,FePH6NO5,-6.3159679357,-1.5081380451,0.0034310048,0.0034310048,GGA+U,Pna2_1,AB6CD5E_oP56_33_a_6a_a_5a_a:Fe-H-N-O-P,56.0,"Invalid WP multiplicities - AB6CD5E_oP56_33_a_14a_a_9a_a:Fe-H-N-O-P, expected FePH14NO9 to be FePH6NO5" +mp-1197292,Fe4P3H4NO12,-7.4241820087,-1.9496963421,0.0160161258,0.0160161258,GGA+U,Pnnm,A4B4CD12E3_oP96_58_2gh_2gh_g_6g3h_3g:Fe-H-N-O-P,96.0,A4B4CD12E3_oP96_58_2gh_2gh_g_6g3h_3g:Fe-H-N-O-P +mp-1212760,FeBP2NO9,-7.3199011186,-1.6889931671,0.5706952955,0.5706952955,GGA+U,P2_1/c,ABCD9E2_mP56_14_e_e_e_9e_2e:B-Fe-N-O-P,56.0,ABCD9E2_mP56_14_e_e_e_9e_2e:B-Fe-N-O-P +mp-696483,FeP3H5NO10,-6.9291597098,-1.9553126601,0.0,-0.0018232554,GGA+U,C2/c,AB5CD10E3_mC80_15_c_d2f_e_5f_ef:Fe-H-N-O-P,40.0,AB5CD10E3_mC80_15_a_b2f_e_5f_ef:Fe-H-N-O-P +mp-745200,Fe2P2H4NO8,-7.0266973246,-1.7768410759000002,0.0900958007,0.0900958007,GGA+U,C2/c,A2B4CD8E2_mC272_15_2e3f_8f_2f_16f_4f:Fe-H-N-O-P,136.0,A2B4CD8E2_mC272_15_2e3f_8f_2f_16f_4f:Fe-H-N-O-P +mp-1182833,Fe2P2H4NO8,-7.1007795004,-1.8509232517,0.0160136249,0.0160136249,GGA+U,C2/c,A2B4CD8E2_mC272_15_2e3f_8f_2f_16f_4f:Fe-H-N-O-P,136.0,A2B4CD8E2_mC272_15_2e3f_8f_2f_16f_4f:Fe-H-N-O-P +mp-1205149,Fe3P4H12(NO8)2,-6.7283373389,-1.7662834085,0.0,-0.0020802442,GGA+U,P2_1/c,A3B12C2D16E4_mP74_14_ae_6e_e_8e_2e:Fe-H-N-O-P,74.0,A3B12C2D16E4_mP74_14_ae_6e_e_8e_2e:Fe-H-N-O-P +mp-766957,FeBP2H5NO9,-6.9934985571,-1.9515858442,0.0050590157,0.0050590157,GGA+U,P2_1/c,ABC5DE9F2_mP76_14_e_e_5e_e_9e_2e:B-Fe-H-N-O-P,76.0,"Invalid WP multiplicities - ABC5DE9F2_mP76_14_e_e_17e_e_35e_3e:B-Fe-H-N-O-P, expected FeBP3H17NO35 to be FeBP2H5NO9" +mp-1204707,Fe3P4H8NO12,-6.7495585652,-1.6816356553,0.065704177,0.065704177,GGA+U,P2_1/c,A3B8CD12E4_mP112_14_3e_8e_e_12e_4e:Fe-H-N-O-P,112.0,A3B8CD12E4_mP112_14_3e_8e_e_12e_4e:Fe-H-N-O-P +mp-1213484,Fe3P6H14(NO8)3,-6.6846438066000005,-1.7022826637,0.1389454913,0.1389454913,GGA+U,P-1,A3B14C3D24E6_aP50_2_bi_7i_ei_12i_3i:Fe-H-N-O-P,50.0,A3B14C3D24E6_aP50_2_bi_7i_ei_12i_3i:Fe-H-N-O-P +mp-1202621,K3BP3(HO4)3,-6.7767225168,-2.422679844,0.0154783182,0.0154783182,GGA,C2/c,AB3C3D12E3_mC176_15_f_3f_3f_12f_3f:B-H-K-O-P,88.0,AB3C3D12E3_mC176_15_f_3f_3f_12f_3f:B-H-K-O-P +mp-1193408,KInBP2HO9,-7.1438028013,-2.5250692075,0.0,-0.0036810061,GGA,P-1,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-H-In-K-O-P,30.0,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-H-In-K-O-P +mp-758840,KB6P(H2O7)2,-7.4506612966,-2.4727921345,0.0,-0.0056107999,GGA,P4/ncc,A6B4CD14E_tP104_130_fg_g_c_f3g_b:B-H-K-O-P,104.0,"Invalid WP multiplicities - A6B4CD14E_tP104_130_2f3g_g_c_4f21g_b:B-H-K-O-P, expected KB16P(HO23)4 to be KB6P(H2O7)2" +mp-733854,K2In2P2HO10,-6.481044449,-2.2804336534,0.0375410268,0.0375410268,GGA,P2_12_12_1,AB2C2D10E2_oP68_19_a_2a_2a_10a_2a:H-In-K-O-P,68.0,AB2C2D10E2_oP68_19_a_2a_2a_10a_2a:H-In-K-O-P +mp-1224640,K3B5PH2O13,-7.2461487692,-2.5280711217,0.0146703342,0.0146703342,GGA,P2/c,A5B2C3D13E_mP48_13_e2g_g_eg_f6g_f:B-H-K-O-P,48.0,A5B2C3D13E_mP48_13_e2g_g_eg_f6g_f:B-H-K-O-P +mp-1202331,MoP3H27C9I2O,-5.1360468812,-0.2606847489,0.0820288808,0.0820288808,GGA+U,P2_12_12_1,A9B27C2DEF3_oP172_19_9a_27a_2a_a_a_3a:C-H-I-Mo-O-P,172.0,A9B27C2DEF3_oP172_19_9a_27a_2a_a_a_3a:C-H-I-Mo-O-P +mp-1201209,MoC4IO4,-7.6689524695,-0.766909142,0.4346385393,0.4346385393,GGA+U,P-1,A4BCD4_aP40_2_8i_2i_2i_8i:C-I-Mo-O,40.0,A4BCD4_aP40_2_8i_2i_2i_8i:C-I-Mo-O +mp-722272,Li2H12C3SN6O7,-6.2639915202,-1.0704819993,0.0027126196,0.0027126196,GGA,C2/c,A3B12C2D6E7F_mC124_15_ef_6f_f_3f_e3f_e:C-H-Li-N-O-S,62.0,A3B12C2D6E7F_mC124_15_ef_6f_f_3f_e3f_e:C-H-Li-N-O-S +mp-1198353,Li2C3SN6O7,-6.4773438763,-0.1464974233,1.1446765234,1.1446765234,GGA,C2/c,A3B2C6D7E_mC76_15_ef_f_3f_e3f_e:C-Li-N-O-S,38.0,A3B2C6D7E_mC76_15_ef_f_3f_e3f_e:C-Li-N-O-S +mp-605006,LiH8C2S2NO5,-5.5873115093,-0.9109483289,0.2521556244,0.2521556244,GGA,Pnna,A2B8CDE5F2_oP152_52_2e_8e_cd_e_5e_2e:C-H-Li-N-O-S,152.0,"Invalid WP multiplicities - A2B8CDE5F2_oP152_52_8e_51e_3c3d_e_34e_9e:C-H-Li-N-O-S, expected Li3H51C8S9NO34 to be LiH8C2S2NO5" +mp-1203010,LiH4CSNO2,-5.7061922502,-0.9987107749,0.0993036341,0.0993036341,GGA,Pnma,AB4CDE2F_oP40_62_c_2d_c_c_d_c:C-H-Li-N-O-S,40.0,AB4CDE2F_oP40_62_c_2d_c_c_d_c:C-H-Li-N-O-S +mp-1211742,KTbH(SO4)2,-6.556542284,-2.1731653213,0.2250125201,0.2250125201,GGA,P2_1/c,ABC8D2E_mP52_14_e_e_8e_2e_e:H-K-O-S-Tb,52.0,ABC8D2E_mP52_14_e_e_8e_2e_e:H-K-O-S-Tb +mp-555919,KH3C2S2O,-5.3913313763,-0.6173873194,0.1837417633,0.1837417633,GGA,P-1,A2B3CDE2_aP54_2_6i_9i_3i_3i_6i:C-H-K-O-S,54.0,"Invalid WP multiplicities - A2B3CDE2_aP54_2_12i_17i_5i_5i_12i:C-H-K-O-S, expected K5H17C12S12O5 to be KH3C2S2O" +mp-1205216,KTbS2O9,-6.7184324696,-2.2155199172,0.1369751632,0.1369751632,GGA,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:K-O-S-Tb,52.0,AB9C2D_mP52_14_e_9e_2e_e:K-O-S-Tb +mp-1199480,KTbH2C2SO9,-7.1244167612,-2.1466544869,0.0339861979,0.0339861979,GGA,P2_1/c,A2B2CD9EF_mP64_14_2e_2e_e_9e_e_e:C-H-K-O-S-Tb,64.0,A2B2CD9EF_mP64_14_2e_2e_e_9e_e_e:C-H-K-O-S-Tb +mp-1198963,K5TbH8(CO2)8,-6.6463721358,-1.6383586486,0.1144296184,0.1144296184,GGA,C2/c,A8B8C5D16E_mC152_15_4f_4f_a2f_8f_e:C-H-K-O-Tb,76.0,A8B8C5D16E_mC152_15_4f_4f_c2f_8f_e:C-H-K-O-Tb +mp-1220289,Nd3SOF5,-7.3148685355,-4.0203709642,0.0309203243,0.0309203243,GGA,Pm,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Nd-O-S,20.0,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Nd-O-S +mp-1212507,NdH10C21O11F15,-6.6787624554,-1.2376737733,0.2829443486,0.2829443486,GGA,P-1,A21B15C10DE11_aP116_2_21i_15i_10i_i_11i:C-F-H-Nd-O,116.0,A21B15C10DE11_aP116_2_21i_15i_10i_i_11i:C-F-H-Nd-O +mp-1197612,NdH3CSO7,-6.8656397477,-2.0242349857,0.0519795276,0.0519795276,GGA,P4_1,AB3CD7E_tP52_76_a_3a_a_7a_a:C-H-Nd-O-S,52.0,AB3CD7E_tP52_76_a_3a_a_7a_a:C-H-Nd-O-S +mp-1202500,NdH3CSO7,-6.8647121262,-2.0233073642,0.0529071491,0.0529071491,GGA,P4_3,AB3CD7E_tP52_78_a_3a_a_7a_a:C-H-Nd-O-S,52.0,AB3CD7E_tP52_78_a_3a_a_7a_a:C-H-Nd-O-S +mp-5760,NdSF,-6.9195330167,-3.314174261,0.0,-0.0090754147,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Nd-S,6.0,ABC_tP6_129_a_c_c:F-Nd-S +mp-1211666,NdC3S3(O2F)9,-5.4983955153,-1.0540660735,0.8158453924,0.8158453924,GGA,P6_3/m,A3B9CD18E3_hP68_176_h_hi_c_2h2i_h:C-F-Nd-O-S,68.0,A3B9CD18E3_hP68_176_h_hi_c_2h2i_h:C-F-Nd-O-S +mp-1220263,Nd6S3(OF4)2,-7.3019551366,-3.8175633809,0.0260200224,0.0260200224,GGA,Pm,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-Nd-O-S,38.0,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-Nd-O-S +mp-1206470,Nd2S2F,-5.092944338,-1.1488096248,1.749965492,1.749965492,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Nd-S,5.0,AB2C2_tP5_123_a_g_g:F-Nd-S +mp-543032,NdH18C3S3(O2F)9,-5.7421933823,-1.6618805009000002,0.1482299564,0.1482299564,GGA,P6_3/m,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Nd-O-S,104.0,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Nd-O-S +mp-1208457,TeH6S(NO5)2,-5.2757405514,-0.5869411017,0.688944317,0.688944317,GGA,P2_1/c,A6B2C10DE_mP80_14_6e_2e_10e_e_ad:H-N-O-S-Te,80.0,A6B2C10DE_mP80_14_6e_2e_10e_e_ad:H-N-O-S-Te +mp-1208940,TeH6S(NO5)2,-5.2570278986,-0.568228449,0.7076569698,0.7076569698,GGA,P2_1/c,A6B2C10DE_mP80_14_6e_2e_10e_e_ad:H-N-O-S-Te,80.0,A6B2C10DE_mP80_14_6e_2e_10e_e_ad:H-N-O-S-Te +mp-707276,TeH9SN2O5F3,-5.4158220481,-1.370338216,0.0,-0.0048623609,GGA,P1,A3B9C2D5EF_aP42_1_6a_18a_4a_10a_2a_2a:F-H-N-O-S-Te,42.0,A3B9C2D5EF_aP42_1_6a_18a_4a_10a_2a_2a:F-H-N-O-S-Te +mp-1198846,TeH3N(OF)2,-4.8776942875,-0.9472149196,0.5175789948,0.5175789948,GGA,P2_1/c,A2B3CD2E_mP36_14_2e_3e_e_2e_e:F-H-N-O-Te,36.0,A2B3CD2E_mP36_14_2e_3e_e_2e_e:F-H-N-O-Te +mp-20364,K3Rh(NO2)6,-4.7148429005,0.7430997721,1.9295493957,1.9295493957,GGA,Fm-3m,A3B6C12D_cF88_225_bc_e_h_a:K-N-O-Rh,22.0,A3B6C12D_cF88_225_bc_e_h_a:K-N-O-Rh +mp-697108,K3HRhC5N5O,-7.1592635278,-0.4804684306,0.1012392614,0.1012392614,GGA,P-1,A5BC3D5EF_aP32_2_5i_i_3i_5i_i_i:C-H-K-N-O-Rh,32.0,A5BC3D5EF_aP32_2_5i_i_3i_5i_i_i:C-H-K-N-O-Rh +mp-1195179,KH6Rh(N3O4)2,-6.1880191733,-0.8051308857,0.2101035878,0.2101035878,GGA,P2_12_12_1,A6BC6D8E_oP88_19_6a_a_6a_8a_a:H-K-N-O-Rh,88.0,A6BC6D8E_oP88_19_6a_a_6a_8a_a:H-K-N-O-Rh +mp-1224748,K2H14Rh2N12O17,-6.1164219931,-0.8275023025,0.2047632059,0.2047632059,GGA,P-1,A14B2C12D17E2_aP94_2_14i_2i_12i_17i_2i:H-K-N-O-Rh,94.0,A14B2C12D17E2_aP94_2_14i_2i_12i_17i_2i:H-K-N-O-Rh +mp-1195588,SmH9C5(NO4)2,-6.7668736566,-1.2611557549,0.1099196423,0.1099196423,GGA,C222_1,A5B9C2D8E_oC100_20_2abc_2ab3c_c_4c_a:C-H-N-O-Sm,50.0,A5B9C2D8E_oC100_20_2abc_2ab3c_c_4c_a:C-H-N-O-Sm +mp-1210344,SmH13C8N6O13,-6.9021263955,-1.1221441649,0.1450406765,0.1450406765,GGA,P2_1/c,A8B13C6D13E_mP164_14_8e_13e_6e_13e_e:C-H-N-O-Sm,164.0,A8B13C6D13E_mP164_14_8e_13e_6e_13e_e:C-H-N-O-Sm +mp-1197878,SmP2H16C6NO13,-6.3920834835,-1.3191540221,0.1618708021,0.1618708021,GGA,P2_1/c,A6B16CD13E2F_mP156_14_6e_16e_e_13e_2e_e:C-H-N-O-P-Sm,156.0,A6B16CD13E2F_mP156_14_6e_16e_e_13e_2e_e:C-H-N-O-P-Sm +mp-697974,SmP3H5NO10,-7.0701176132,-2.2838423174,0.0,-0.0073134655,GGA,P-1,A5BC10D3E_aP40_2_5i_i_10i_3i_i:H-N-O-P-Sm,40.0,A5BC10D3E_aP40_2_5i_i_10i_3i_i:H-N-O-P-Sm +mp-1219664,Rb2WSO4,-6.3246174838,-1.4693170979,0.6480084319,0.6480084319,GGA+U,R-3m,A4B2CD_hR48_166_ch_2c_c_c:O-Rb-S-W,16.0,A4B2CD_hR48_166_ch_2c_c_c:O-Rb-S-W +mp-1210766,Rb5HW3S4(NO7)2,-6.1661252528,-1.0060487572,0.9339083106,0.9339083106,GGA+U,P-1,AB2C14D5E4F3_aP58_2_bc_2i_14i_5i_4i_3i:H-N-O-Rb-S-W,58.0,AB2C14D5E4F3_aP58_2_bc_2i_14i_5i_4i_3i:H-N-O-Rb-S-W +mp-1197102,Rb4WS3O14,-6.653488474,-2.1742494704,0.0034900581,0.0034900581,GGA+U,P2_1/c,A14B4C3D_mP88_14_14e_4e_3e_e:O-Rb-S-W,88.0,A14B4C3D_mP88_14_14e_4e_3e_e:O-Rb-S-W +mp-560254,RbH3WO7,-6.3958975838,-1.5005922991,0.0239737691,0.0239737691,GGA+U,P-1,A3B7CD_aP48_2_6i_14i_2i_2i:H-O-Rb-W,48.0,"Invalid WP multiplicities - A3B7CD_aP48_2_11i_27i_4i_3i:H-O-Rb-W, expected Rb4H11(WO9)3 to be RbH3WO7" +mp-17048,Rb2WS4,-5.7776921132,-1.2826924214,0.0,-0.1253114185,GGA,Pnma,A2B4C_oP28_62_2c_2cd_c:Rb-S-W,28.0,A2B4C_oP28_62_2c_2cd_c:Rb-S-W +mp-560409,P3S3N6F5,-6.3246327013,-1.1348902597,0.1494103875,0.1494103875,GGA,Pbca,A5B6C3D3_oP136_61_5c_6c_3c_3c:F-N-P-S,136.0,"Invalid WP multiplicities - A5B6C3D3_oP136_61_31c_40c_18c_17c:F-N-P-S, expected P18S17N40F31 to be P3S3N6F5" +mp-559089,PS2N3(Cl2O)2,-5.3533653285,-0.6880977387,0.2500743686,0.2500743686,GGA,P2_1/c,A4B3C2DE2_mP48_14_4e_3e_2e_e_2e:Cl-N-O-P-S,48.0,"Invalid WP multiplicities - A4B3C2DE2_mP48_14_12e_11e_5e_e_5e:Cl-N-O-P-S, expected PS5N11Cl12O5 to be PS2N3(Cl2O)2" +mp-662720,P2SN3Cl5O,-5.3393509732,-0.8258583343,0.1675501927,0.1675501927,GGA,P-1,A5B3CD2E_aP72_2_15i_9i_3i_6i_3i:Cl-N-O-P-S,72.0,"Invalid WP multiplicities - A5B3CD2E_aP72_2_28i_18i_5i_11i_6i:Cl-N-O-P-S, expected P11S6N18Cl28O5 to be P2SN3Cl5O" +mp-556186,P2SN3Cl5O,-5.3413975929,-0.8279049540000001,0.165503573,0.165503573,GGA,P2_12_12_1,A5B3CD2E_oP48_19_5a_3a_a_2a_a:Cl-N-O-P-S,48.0,"Invalid WP multiplicities - A5B3CD2E_oP48_19_18a_10a_a_6a_a:Cl-N-O-P-S, expected P6SN10Cl18O to be P2SN3Cl5O" +mp-556050,P4S(NF)6,-6.6076478071,-1.4736770278,0.0767459416,0.0767459416,GGA,P2_1/c,A6B6C4D_mP136_14_12e_12e_8e_2e:F-N-P-S,136.0,"Invalid WP multiplicities - A6B6C4D_mP136_14_43e_45e_30e_4e:F-N-P-S, expected P30S4N45F43 to be P4S(NF)6" +mp-1200341,PSN(Cl2O)2,-5.0243716087,-1.1161747908,0.1347213523,0.1347213523,GGA,P2_1/c,A4BC2DE_mP216_14_24e_6e_12e_6e_6e:Cl-N-O-P-S,216.0,A4BC2DE_mP216_14_24e_6e_12e_6e_6e:Cl-N-O-P-S +mp-557775,PSN(Cl2O)2,-5.0293417826,-1.1211449647,0.1297511783,0.1297511783,GGA,Pbca,A4BC2DE_oP72_61_4c_c_2c_c_c:Cl-N-O-P-S,72.0,"Invalid WP multiplicities - A4BC2DE_oP72_61_28c_c_8c_c_c:Cl-N-O-P-S, expected PSN(Cl7O2)4 to be PSN(Cl2O)2" +mp-624218,P3SN4Cl5O,-5.7075252434,-0.8566888792,0.1131366753,0.1131366753,GGA,Pnma,A5B4CD3E_oP56_62_c2d_2cd_c_cd_c:Cl-N-O-P-S,56.0,"Invalid WP multiplicities - A5B4CD3E_oP56_62_3c7d_7c7d_c_2c3d_c:Cl-N-O-P-S, expected P8SN21Cl17O to be P3SN4Cl5O" +mp-1197977,P2SN2(Cl3O)2,-5.0904687227,-1.0427270217,0.1785917798,0.1785917798,GGA,P2_1/c,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:Cl-N-O-P-S,52.0,A6B2C2D2E_mP52_14_6e_2e_2e_2e_e:Cl-N-O-P-S +mp-559879,PS2N(Cl3O2)2,-4.9146306018,-1.1360111753,0.1305401774,0.1305401774,GGA,Pnma,A6BC4DE2_oP56_62_2c2d_c_2d_c_d:Cl-N-O-P-S,56.0,"Invalid WP multiplicities - A6BC4DE2_oP56_62_7c12d_c_7d_c_d:Cl-N-O-P-S, expected PS2NCl31O14 to be PS2N(Cl3O2)2" +mp-559593,PS3N5F2,-6.14574027,-0.3886416639,0.3745799927,0.3745799927,GGA,R3m,A2B5CD3_hR99_160_2b_b2c_b_bc:F-N-P-S,33.0,"Invalid WP multiplicities - A2B5CD3_hR99_160_5b_3b11c_b_2b2c:F-N-P-S, expected PS6(N5F)5 to be PS3N5F2" +mp-558888,PS2N3Cl2(OF)2,-5.6739986365,-0.998240662,0.2877282004,0.2877282004,GGA,P2_1/c,A2B2C3D2EF2_mP48_14_2e_2e_3e_2e_e_2e:Cl-F-N-O-P-S,48.0,"Invalid WP multiplicities - A2B2C3D2EF2_mP48_14_2e_5e_10e_4e_e_5e:Cl-F-N-O-P-S, expected PS5N10Cl2O4F5 to be PS2N3Cl2(OF)2" +mp-728403,CrP3H18C6(SO)6,-5.615169173,-0.6943479674,0.1184322152,0.1184322152,GGA+U,C2/c,A6BC18D6E3F6_mC160_15_3f_e_9f_3f_ef_3f:C-Cr-H-O-P-S,80.0,A6BC18D6E3F6_mC160_15_3f_e_9f_3f_ef_3f:C-Cr-H-O-P-S +mp-650978,Ru5C14(SO7)2,-8.1836433934,-0.9522184995,0.1858532985,0.1858532985,GGA,P2_1/c,A14B14C5D2_mP140_14_14e_14e_5e_2e:C-O-Ru-S,140.0,"Invalid WP multiplicities - A14B14C5D2_mP140_14_56e_53e_15e_4e:C-O-Ru-S, expected Ru15C56S4O53 to be Ru5C14(SO7)2" +mp-650996,Ru7C20(SO10)2,-8.2156848991,-0.9360767034,0.2019969357,0.2019969357,GGA,P2_12_12_1,A20B20C7D2_oP196_19_20a_20a_7a_2a:C-O-Ru-S,196.0,"Invalid WP multiplicities - A20B20C7D2_oP196_19_77a_79a_25a_6a:C-O-Ru-S, expected Ru25C77S6O79 to be Ru7C20(SO10)2" +mp-650984,Ru6C17S2O17,-7.7646653906,-0.5051335707,0.6329393013,0.6329393013,GGA,P2_12_12_1,A17B17C6D2_oP168_19_17a_17a_6a_2a:C-O-Ru-S,168.0,"Invalid WP multiplicities - A17B17C6D2_oP168_19_68a_65a_17a_6a:C-O-Ru-S, expected Ru17C68S6O65 to be Ru6C17S2O17" +mp-698364,P3H18RuC6(SO)6,-5.5676520576,-0.6562969753,0.15485342,0.15485342,GGA,C2/c,A6B18C6D3EF6_mC160_15_3f_9f_3f_ef_e_3f:C-H-O-P-Ru-S,80.0,A6B18C6D3EF6_mC160_15_3f_9f_3f_ef_e_3f:C-H-O-P-Ru-S +mp-707792,H2Ru3C8SO8,-7.8099581836,-0.8941425833000001,0.1859673497,0.1859673497,GGA,P-1,A8B2C8D3E_aP132_2_24i_6i_24i_9i_3i:C-H-O-Ru-S,132.0,A8B2C8D3E_aP132_2_24i_6i_24i_9i_3i:C-H-O-Ru-S +mp-1095584,PRuS,-7.0165321417,-0.7418138372,0.0053534229,0.0053534229,GGA,P2_1/c,ABC_mP12_14_e_e_e:P-Ru-S,12.0,ABC_mP12_14_e_e_e:P-Ru-S +mp-720807,H2Ru6C18SO20,-8.0638355151,-1.008131892,0.1754555398,0.1754555398,GGA,P-1,A18B2C20D6E_aP94_2_18i_2i_20i_6i_i:C-H-O-Ru-S,94.0,A18B2C20D6E_aP94_2_18i_2i_20i_6i_i:C-H-O-Ru-S +mp-1205073,CeH3CSO7,-6.9297394996,-1.9987238359,0.0642029567,0.0642029567,GGA,P4_1,ABC3D7E_tP52_76_a_a_3a_7a_a:C-Ce-H-O-S,52.0,ABC3D7E_tP52_76_a_a_3a_7a_a:C-Ce-H-O-S +mp-1200235,CeH3CSO7,-6.9305538337,-1.99953817,0.0633886226,0.0633886226,GGA,P4_3,ABC3D7E_tP52_78_a_a_3a_7a_a:C-Ce-H-O-S,52.0,ABC3D7E_tP52_78_a_a_3a_7a_a:C-Ce-H-O-S +mp-728267,CeS4(N2O9)2,-5.6810983292,-0.3157181394,1.2947530764,1.2947530764,GGA,P2_1/c,AB4C18D4_mP108_14_e_4e_18e_4e:Ce-N-O-S,108.0,AB4C18D4_mP108_14_e_4e_18e_4e:Ce-N-O-S +mp-1213833,CeS2NO8,-6.9445308771,-1.7681980851,0.4595257339,0.4595257339,GGA,P2_1/m,ABC8D2_mP24_11_e_e_4e2f_2e:Ce-N-O-S,24.0,ABC8D2_mP24_11_e_e_4e2f_2e:Ce-N-O-S +mp-1202043,CeH2C2SNO9,-7.0980055787,-1.5874421148,0.381721586,0.381721586,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Ce-H-N-O-S,64.0,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Ce-H-N-O-S +mp-706608,KPH3O3F,-5.6634000983,-1.9463529106,0.0095982815,0.0095982815,GGA,P2_1/c,AB3CD3E_mP36_14_e_3e_e_3e_e:F-H-K-O-P,36.0,AB3CD3E_mP36_14_e_3e_e_3e_e:F-H-K-O-P +mp-24608,K2AlH2OF5,-5.3807773032,-2.9029673611,0.0038401361,0.0038401361,GGA,Cmcm,AB5C2D2E_oC44_63_a_cef_f_g_c:Al-F-H-K-O,22.0,AB5C2D2E_oC44_63_a_cef_f_g_c:Al-F-H-K-O +mp-558240,K3Al4P2O8F9,-6.6859210671,-3.3814239297,0.0,-0.0157125594,GGA,P2_1/m,A4B9C3D8E2_mP52_11_2ef_3e3f_ef_4f_f:Al-F-K-O-P,52.0,"Invalid WP multiplicities - A4B9C3D8E2_mP52_11_4e2f_6e9f_2e2f_14f_f:Al-F-K-O-P, expected K3Al4P(O7F6)2 to be K3Al4P2O8F9" +mp-698033,KAl2P2H8O12F,-6.4115285106,-2.2637705305,0.0069781254,0.0069781254,GGA,Pba2,A2BC8DE12F2_oP52_32_c_a_4c_b_6c_c:Al-F-H-K-O-P,52.0,A2BC8DE12F2_oP52_32_c_a_4c_b_6c_c:Al-F-H-K-O-P +mp-723378,KAlH6(OF3)2,-5.2515682819,-2.3406568897,0.0,-0.0090553625,GGA,Pa-3,AB6C6DE2_cP64_205_a_d_d_b_c:Al-F-H-K-O,64.0,AB6C6DE2_cP64_205_a_d_d_b_c:Al-F-H-K-O +mp-761185,KPH3O4F,-5.980479397,-2.1404680569,0.0,-0.0032837565,GGA,P2_1/c,AB3CD4E_mP40_14_e_3e_e_4e_e:F-H-K-O-P,40.0,"Invalid WP multiplicities - AB3CD4E_mP40_14_e_7e_e_13e_e:F-H-K-O-P, expected KPH7O13F to be KPH3O4F" +mp-24214,KPH3O4F,-5.9783245425,-2.1383132024,0.0021548545,-0.001128902,GGA,P2_1/c,AB3CD4E_mP40_14_e_3e_e_4e_e:F-H-K-O-P,40.0,"Invalid WP multiplicities - AB3CD4E_mP40_14_e_3e_e_7e_e:F-H-K-O-P, expected KPH3O7F to be KPH3O4F" +mp-758619,KPHO3F,-6.3028105864,-2.493100215,0.0,-0.0064491705,GGA,P2_1,ABCD3E_mP56_4_4a_4a_4a_12a_4a:F-H-K-O-P,56.0,"Invalid WP multiplicities - ABCD3E_mP56_4_7a_7a_7a_23a_7a:F-H-K-O-P, expected K7P7H7O23F7 to be KPHO3F" +mp-684767,K3P2H(O3F)2,-6.2715643664,-2.6248773592,0.0115641311,0.0115641311,GGA,Cc,A2BC3D6E2_mC56_9_2a_a_3a_6a_2a:F-H-K-O-P,28.0,"Invalid WP multiplicities - A2BC3D6E2_mC56_15_f_c_2ef_9f_f:F-H-K-O-P, expected K4P2H(O9F)2 to be K3P2H(O3F)2" +mp-770640,Li4Mn3NbV2(PO4)6,-7.9398173,-2.5750373342,0.0981607574,0.0981607574,GGA+U,P1,A4B3CD24E6F2_aP40_1_4a_3a_a_24a_6a_2a:Li-Mn-Nb-O-P-V,40.0,A4B3CD24E6F2_aP40_1_4a_3a_a_24a_6a_2a:Li-Mn-Nb-O-P-V +mp-759695,Mn2NbV3(PO4)6,-8.4094277711,-2.6628333838,0.0478826332,0.0478826332,GGA+U,R3,A2BC24D6E3_hR108_146_2a_a_8b_2b_3a:Mn-Nb-O-P-V,36.0,"Invalid WP multiplicities - A2BC24D6E3_hR108_146_2a_a_20b_2b_3a:Mn-Nb-O-P-V, expected Mn2NbV3(PO10)6 to be Mn2NbV3(PO4)6" +mp-775656,Li4Mn3Nb2V3O16,-8.2916849757,-2.515860511,0.0452267464,0.0452267464,GGA+U,P1,A4B3C2D16E3_aP28_1_4a_3a_2a_16a_3a:Li-Mn-Nb-O-V,28.0,A4B3C2D16E3_aP28_1_4a_3a_2a_16a_3a:Li-Mn-Nb-O-V +mp-774826,Li4Mn3Nb2V3O16,-8.2650607293,-2.4892362645,0.0718509929,0.0718509929,GGA+U,Cm,A4B3C2D16E3_mC56_8_4a_ab_2a_8a4b_ab:Li-Mn-Nb-O-V,28.0,"Invalid WP multiplicities - A4B3C2D16E3_mC56_8_4a_ab_2a_8a6b_ab:Li-Mn-Nb-O-V, expected Li4Mn3Nb2V3O20 to be Li4Mn3Nb2V3O16" +mp-1096096,Mn2NbV,-5.78198371,3.5953267135,3.7909729159,3.7909729159,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Nb-V,4.0,A2BC_oI8_71_e_a_b:Mn-Nb-V +mp-762830,Li4Mn2Nb3V3O16,-8.4067779439,-2.5974074168,0.0600591256,0.0600591256,GGA+U,Cm,A4B2C3D16E3_mC56_8_4a_2a_ab_8a4b_ab:Li-Mn-Nb-O-V,28.0,"Invalid WP multiplicities - A4B2C3D16E3_mC56_8_4a_2a_ab_8a6b_ab:Li-Mn-Nb-O-V, expected Li4Mn2Nb3V3O20 to be Li4Mn2Nb3V3O16" +mp-707811,ZrH6NOF5,-5.8745946913,-2.1785493074,0.0,-0.0163027051,GGA,P2_1/c,A5B6CDE_mP56_14_5e_6e_e_e_e:F-H-N-O-Zr,56.0,A5B6CDE_mP56_14_5e_6e_e_e_e:F-H-N-O-Zr +mp-696994,Zr2H16SN3(O2F3)3,-5.8925389785,-1.9085282867,0.0022533306,0.0022533306,GGA,C2/m,A9B16C3D6EF2_mC148_12_e2i3j_4i6j_h2i_2i2j_i_j:F-H-N-O-S-Zr,74.0,A9B16C3D6EF2_mC148_12_e2i3j_4i6j_g2i_2i2j_i_j:F-H-N-O-S-Zr +mp-707889,Zr4H22N4O3F20,-5.6703678982,-1.9864735455,0.2382956386,0.2382956386,GGA,Cc,A20B22C4D3E4_mC212_9_20a_22a_4a_3a_4a:F-H-N-O-Zr,106.0,A20B22C4D3E4_mC212_9_20a_22a_4a_3a_4a:F-H-N-O-Zr +mp-556018,LiBH15C5NO3,-5.399664731,-0.4458534297,0.3114142685,0.3114142685,GGA,P2_1/c,AB5C15DEF3_mP104_14_e_5e_15e_e_e_3e:B-C-H-Li-N-O,104.0,"Invalid WP multiplicities - AB5C15DEF3_mP104_14_e_16e_56e_e_e_11e:B-C-H-Li-N-O, expected LiBH56C16NO11 to be LiBH15C5NO3" +mp-13590,LiB(CN)4,-8.045262299000001,-0.1603666683,0.3383295139,0.3383295139,GGA,P-43m,AB4CD4_cP10_215_a_e_b_e:B-C-Li-N,10.0,AB4CD4_cP10_215_a_e_b_e:B-C-Li-N +mp-1195276,LiBH34(C3N)4,-5.3216847922,-0.1672431426,0.1649044511,0.1649044511,GGA,P6_3,AB12C34DE4_hP104_173_b_4c_b11c_b_bc:B-C-H-Li-N,104.0,AB12C34DE4_hP104_173_b_4c_b11c_b_bc:B-C-H-Li-N +mp-647096,Gd3S3N,-11.2420637011,-2.2457478088,0.0,-0.042164115,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Gd-N-S,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_8c_c_10c:Gd-N-S, expected Gd8S10N to be Gd3S3N" +mp-559733,GdH7C2SO8,-6.8800268095,-1.6172639096,0.0860048242,0.0860048242,GGA,P-1,A2BC7D8E_aP38_2_2i_i_7i_8i_i:C-Gd-H-O-S,38.0,"Invalid WP multiplicities - A2BC7D8E_aP38_2_3i_i_13i_14i_i:C-Gd-H-O-S, expected GdH13C3SO14 to be GdH7C2SO8" +mp-1200033,GdH2C2SNO9,-7.5307097937,-1.511206762,0.456159934,0.456159934,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Gd-H-N-O-S,64.0,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Gd-H-N-O-S +mp-707824,GdH18C3S3(O2F)9,-5.9185146921000005,-1.6592022952,0.1352816588,0.1352816588,GGA,P6_3/m,A3B9CD18E18F3_hP104_176_h_hi_c_3i_2h2i_h:C-F-Gd-H-O-S,104.0,A3B9CD18E18F3_hP104_176_h_hi_c_3i_2h2i_h:C-F-Gd-H-O-S +mp-16801,GdSO4F,-8.6683376071,-2.9667939044,0.0,-0.2709608176,GGA,Pnma,ABC4D_oP28_62_c_c_2cd_c:F-Gd-O-S,28.0,"Invalid WP multiplicities - ABC4D_oP28_62_c_c_4c4d_c:F-Gd-O-S, expected GdSO12F to be GdSO4F" +mp-1224731,Gd6S3(OF4)2,-10.1484308605,-3.7246786393,0.0884900168,0.0884900168,GGA,Pm,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-Gd-O-S,38.0,A8B6C2D3_mP38_6_7a9b_6a6b_3ab_3a3b:F-Gd-O-S +mp-3799,GdSF,-10.0027739517,-3.2947569269,0.0,-0.1438075058,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Gd-S,6.0,ABC_tP6_129_a_c_c:F-Gd-S +mp-1224717,Gd3SOF5,-10.0922366245,-4.0053466109,0.0,-0.116079488,GGA,Pm,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Gd-O-S,20.0,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Gd-O-S +mp-1213638,H6C8I3NO5,-6.3338051657,-0.6087739596,0.2141975265,0.2141975265,GGA,Pbca,A8B6C3DE5_oP184_61_8c_6c_3c_c_5c:C-H-I-N-O,184.0,A8B6C3DE5_oP184_61_8c_6c_3c_c_5c:C-H-I-N-O +mp-1202123,H8CIN5O3,-5.7843502733,-0.5417735533,0.2799912843,0.2799912843,GGA,P-1,AB8CD5E3_aP36_2_i_8i_i_5i_3i:C-H-I-N-O,36.0,AB8CD5E3_aP36_2_i_8i_i_5i_3i:C-H-I-N-O +mp-1212542,H9C3IN6O,-6.2452490382,-0.5122712636,0.0122630456,0.0122630456,GGA,P-1,A3B9CD6E_aP40_2_3i_9i_i_6i_i:C-H-I-N-O,40.0,A3B9CD6E_aP40_2_3i_9i_i_6i_i:C-H-I-N-O +mp-554527,H12C4INO3,-5.2171763101,-0.3468285997,0.3994981383,0.3994981383,GGA,Pnma,A4B12CDE3_oP84_62_2cd_2c5d_c_c_cd:C-H-I-N-O,84.0,"Invalid WP multiplicities - A4B12CDE3_oP84_62_7c5d_8c29d_c_c_3c3d:C-H-I-N-O, expected H66C17INO9 to be H12C4INO3" +mp-1205257,CdSi3PH27C9I2,-4.9287322915,-0.2724422518,0.0147662582,0.0147662582,GGA,P2_12_12_1,A9BC27D2EF3_oP344_19_18a_2a_54a_4a_2a_6a:C-Cd-H-I-P-Si,344.0,A9BC27D2EF3_oP344_19_18a_2a_54a_4a_2a_6a:C-Cd-H-I-P-Si +mp-693773,ScH16C3S3O17F9,-5.7766499647,-1.6540285218,0.1689437704,0.1689437704,GGA,Pm,A3B9C16D17E3F_mP98_6_3a3b_3a3b6c_16c_4a6b12c_3a3b_ab:C-F-H-O-S-Sc,98.0,A3B9C16D17E3F_mP98_6_3a3b_3a3b6c_16c_4a6b12c_3a3b_ab:C-F-H-O-S-Sc +mp-1200245,HgH4C2S2(O4F3)2,-5.5663801928000005,-1.5817193772,0.155912472,0.155912472,GGA,P-1,A2B6C4DE8F2_aP46_2_2i_6i_4i_i_8i_2i:C-F-H-Hg-O-S,46.0,A2B6C4DE8F2_aP46_2_2i_6i_4i_i_8i_2i:C-F-H-Hg-O-S +mp-1212320,HgH4C12O3F8,-6.4115084843,-0.8847060440000001,0.3019593182,0.3019593182,GGA,P-1,A12B8C4DE3_aP56_2_12i_8i_4i_i_3i:C-F-H-Hg-O,56.0,A12B8C4DE3_aP56_2_12i_8i_4i_i_3i:C-F-H-Hg-O +mp-1238117,HgH4C12O3F8,-6.4082495239,-0.8814470836,0.3052182785,0.3052182785,GGA,P-1,A12B8C4DE3_aP56_2_12i_8i_4i_i_3i:C-F-H-Hg-O,56.0,A12B8C4DE3_aP56_2_12i_8i_4i_i_3i:C-F-H-Hg-O +mp-1198517,Hg4H9C4S3O14F9,-5.2787910531,-1.3827394229,0.2225477731,0.2225477731,GGA,P2_1/c,A4B9C9D4E14F3_mP172_14_4e_9e_9e_4e_14e_3e:C-F-H-Hg-O-S,172.0,A4B9C9D4E14F3_mP172_14_4e_9e_9e_4e_14e_3e:C-F-H-Hg-O-S +mp-1196633,HgH36C14S8(O2F)6,-5.2759148051,-0.6582021797000001,0.3151727401,0.3151727401,GGA,P-3,A14B6C36DE12F8_hP77_147_d2g_g_6g_a_2g_dg:C-F-H-Hg-O-S,77.0,A14B6C36DE12F8_hP77_147_d2g_g_6g_a_2g_dg:C-F-H-Hg-O-S +mp-560125,HgCS(OF)3,-5.4195579033,-1.6147469299,0.1594069513,0.1594069513,GGA,P-1,AB3CD3E_aP18_2_i_3i_i_3i_i:C-F-Hg-O-S,18.0,"Invalid WP multiplicities - AB3CD3E_aP18_2_i_6i_i_4i_i:C-F-Hg-O-S, expected HgCS(O2F3)2 to be HgCS(OF)3" +mp-559063,CsBC3NO2F9,-5.9362737165,-1.7778046767,0.5082100758,0.5082100758,GGA,P-1,AB3CD9EF2_aP34_2_i_3i_i_9i_i_2i:B-C-Cs-F-N-O,34.0,"Invalid WP multiplicities - AB3CD9EF2_aP34_2_i_3i_i_16i_i_3i:B-C-Cs-F-N-O, expected CsBC3NO3F16 to be CsBC3NO2F9" +mp-1196353,Cs2B6NO2,-5.2588853532,0.2044808029,1.4460229593,1.4460229593,GGA,P2_1/c,A6B2CD2_mP44_14_6e_2e_e_2e:B-Cs-N-O,44.0,A6B2CD2_mP44_14_6e_2e_e_2e:B-Cs-N-O +mp-13588,CsB(CN)4,-7.9392362225,-0.1556926412,0.30383384,0.30383384,GGA,I4_1/a,AB4CD4_tI40_88_a_f_b_f:B-C-Cs-N,20.0,AB4CD4_tI40_88_a_f_b_f:B-C-Cs-N +mp-555532,CsBC3NOF9,-5.8731173848000005,-1.7639120746,0.4990088564,0.4990088564,GGA,P2_1/c,AB3CD9EF_mP64_14_e_3e_e_9e_e_e:B-C-Cs-F-N-O,64.0,"Invalid WP multiplicities - AB3CD9EF_mP64_14_e_9e_e_33e_e_e:B-C-Cs-F-N-O, expected CsBC9NOF33 to be CsBC3NOF9" +mp-540626,NiH8(IO5)2,-5.2008183531,-1.1372200268,0.0097483144,0.0097483144,GGA+U,P2_1/c,A8B2CD10_mP42_14_4e_e_a_5e:H-I-Ni-O,42.0,A8B2CD10_mP42_14_4e_e_a_5e:H-I-Ni-O +mp-540624,NiH4(IO4)2,-5.2133208362,-1.0885686195,0.00436545,0.00436545,GGA+U,Pbca,A4B2CD8_oP60_61_2c_c_a_4c:H-I-Ni-O,60.0,A4B2CD8_oP60_61_2c_c_a_4c:H-I-Ni-O +mp-1204231,NiH15IO12,-5.2317713503,-1.1798865834,0.0069794693,0.0069794693,GGA+U,Pc,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O,58.0,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O +mp-1211334,NiH15IO12,-5.0769425803,-1.0250578134,0.1618082393,0.1618082393,GGA+U,Pc,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O,58.0,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O +mp-1238159,NiH15IO12,-4.9961884476,-0.9443036807,0.242562372,0.242562372,GGA+U,Pc,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O,58.0,A15BCD12_mP58_7_15a_a_a_12a:H-I-Ni-O +mp-766473,NiH36C12S6(I2O3)2,-4.9521463497,-0.35130701,0.1888411827,0.1888411827,GGA+U,R-3,A12B36C4DE6F6_hR195_148_2f_6f_2c_a_f_f:C-H-I-Ni-O-S,65.0,"Invalid WP multiplicities - A12B36C4DE6F6_hR195_148_9f_35f_2c_a_f_f:C-H-I-Ni-O-S, expected NiH210C54S6(I2O3)2 to be NiH36C12S6(I2O3)2" +mp-1196639,KSi2BP(H3C)9,-5.0506431834,-0.2039280143,0.0716612335,0.0716612335,GGA,P2_1/c,AB9C27DEF2_mP328_14_2e_18e_54e_2e_2e_4e:B-C-H-K-P-Si,328.0,AB9C27DEF2_mP328_14_2e_18e_54e_2e_2e_4e:B-C-H-K-P-Si +mp-1019743,Ga3BN4,-6.7731761388,-0.6344686965,0.2234889625,0.2234889625,GGA,P-43m,AB3C4_cP8_215_a_c_e:B-Ga-N,8.0,AB3C4_cP8_215_a_c_e:B-Ga-N +mp-1198425,GaBP2H5NO9,-6.7739953699,-2.0184997721,0.0026600236,0.0026600236,GGA,P2_1/c,ABC5DE9F2_mP76_14_e_e_5e_e_9e_2e:B-Ga-H-N-O-P,76.0,ABC5DE9F2_mP76_14_e_e_5e_e_9e_2e:B-Ga-H-N-O-P +mp-1019740,GaB3N4,-7.9120458938,-0.8605145144,0.399724725,0.399724725,GGA,P-43m,A3BC4_cP8_215_c_a_e:B-Ga-N,8.0,A3BC4_cP8_215_c_a_e:B-Ga-N +mp-1007823,GaBN2,-7.2698540475,-0.6747346367,0.3843638125,0.3843638125,GGA,P-4m2,ABC2_tP4_115_a_c_g:B-Ga-N,4.0,ABC2_tP4_115_a_c_g:B-Ga-N +mp-1245554,GaB2N3,-7.7418906025,-0.842496546,0.3506957633,0.3506957633,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:B-Ga-N,24.0,A2BC3_mC48_15_2f_f_2e2f:B-Ga-N +mp-555299,SrC4S4N2(O2F3)4,-6.0529348077,-1.7195734516,0.2504039291,0.2504039291,GGA,P2/c,A4B12C2D8E4F_mP62_13_2g_6g_g_4g_2g_e:C-F-N-O-S-Sr,62.0,"Invalid WP multiplicities - A4B12C2D8E4F_mP62_13_7g_18g_g_13g_5g_e:C-F-N-O-S-Sr, expected SrC14S10N2(O13F18)2 to be SrC4S4N2(O2F3)4" +mp-557080,SiH17S3N5,-5.057556364,-0.5501146325,0.0,-0.0717734906,GGA,P-1,A17B5C3D_aP52_2_17i_5i_3i_i:H-N-S-Si,52.0,"Invalid WP multiplicities - A17B5C3D_aP52_2_33i_10i_6i_i:H-N-S-Si, expected SiH33(S3N5)2 to be SiH17S3N5" +mp-1212674,H2C8SN3F5,-6.9011087172,-0.6212084273,0.2303006347,0.2303006347,GGA,P2_1/c,A8B5C2D3E_mP76_14_8e_5e_2e_3e_e:C-F-H-N-S,76.0,A8B5C2D3E_mP76_14_8e_5e_2e_3e_e:C-F-H-N-S +mp-1247315,Si2SN2,-6.554005693,-0.2219905376,0.991116069,0.991116069,GGA,Cm,A2BC2_mC20_8_2b_2a_2b:N-S-Si,10.0,A2BC2_mC20_8_2b_2a_2b:N-S-Si +mp-680462,SiC4(SN)4,-7.3492881012,-0.2545373961,0.1131253895,0.1131253895,GGA,I4_1/a,A4B4C4D_tI208_88_4f_4f_4f_f:C-N-S-Si,104.0,"Invalid WP multiplicities - A4B4C4D_tI208_88_27f_27f_27f_f:C-N-S-Si, expected SiC27(SN)27 to be SiC4(SN)4" +mp-1209137,SiH14C4S2(N4F3)2,-6.0579409574,-1.0216015983,0.0358630814,0.0358630814,GGA,P-1,A4B6C14D8E2F_aP35_2_2i_3i_7i_4i_i_a:C-F-H-N-S-Si,35.0,A4B6C14D8E2F_aP35_2_2i_3i_7i_4i_i_a:C-F-H-N-S-Si +mp-1238618,SiH14C4S2(N4F3)2,-6.0538173783,-1.0174780192,0.0399866605,0.0399866605,GGA,P-1,A4B6C14D8E2F_aP35_2_2i_3i_7i_4i_i_a:C-F-H-N-S-Si,35.0,A4B6C14D8E2F_aP35_2_2i_3i_7i_4i_i_a:C-F-H-N-S-Si +mp-1199579,BiH14C4S8N5O,-5.5396470958,-0.44952352,0.0509274903,0.0509274903,GGA,P2_1/c,AB4C14D5EF8_mP132_14_e_4e_14e_5e_e_8e:Bi-C-H-N-O-S,132.0,AB4C14D5EF8_mP132_14_e_4e_14e_5e_e_8e:Bi-C-H-N-O-S +mp-1200655,BiH25C8(SO2)6,-5.4357536284,-0.6921588605,0.2711522079,0.2711522079,GGA,P-1,AB8C25D12E6_aP104_2_i_8i_25i_12i_6i:Bi-C-H-O-S,104.0,AB8C25D12E6_aP104_2_i_8i_25i_12i_6i:Bi-C-H-O-S +mp-1200048,BiC3S3(NO)9,-6.6094108909,-0.0700313735,0.9422269072,0.9422269072,GGA,P2_1/c,AB3C9D9E3_mP100_14_e_3e_9e_9e_3e:Bi-C-N-O-S,100.0,AB3C9D9E3_mP100_14_e_3e_9e_9e_3e:Bi-C-N-O-S +mp-1203119,H12OsC4NO4F,-5.7804732554000005,-0.6113658347,0.3358457861,0.3358457861,GGA,Aem2,A4BC12DE4F_oC92_39_2d_c_6d_a_2cd_c:C-F-H-N-O-Os,46.0,A4BC12DE4F_oC92_39_2d_c_6d_a_2cd_c:C-F-H-N-O-Os +mp-709068,H21OsC9NO7,-5.8523656434,-0.50631642,0.2604421446,0.2604421446,GGA,P2_1/c,A9B21CD7E_mP156_14_9e_21e_e_7e_e:C-H-N-O-Os,156.0,A9B21CD7E_mP156_14_9e_21e_e_7e_e:C-H-N-O-Os +mp-738695,H12OsC4N(OF)3,-5.6443082051,-0.7374023759,0.330639951,0.330639951,GGA,C2/c,A4B3C12DE3F_mC192_15_4f_3f_12f_2e_3f_f:C-F-H-N-O-Os,96.0,A4B3C12DE3F_mC192_15_4f_3f_12f_2e_3f_f:C-F-H-N-O-Os +mp-732241,Os4C16NO12,-8.165607545,-0.2787930886,0.6868490559,0.6868490559,GGA,Pccn,A16BC12D4_oP132_56_8e_c_6e_2e:C-N-O-Os,132.0,A16BC12D4_oP132_56_8e_c_6e_2e:C-N-O-Os +mp-555945,H24OsC8(NF3)2,-5.3327524037,-0.5858260596,0.1856344396,0.1856344396,GGA,R-3,A8B6C24D2E_hR123_148_cf_f_4f_c_a:C-F-H-N-Os,41.0,"Invalid WP multiplicities - A8B6C24D2E_hR123_148_2c2f_f_19f_c_a:C-F-H-N-Os, expected H114OsC16(NF3)2 to be H24OsC8(NF3)2" +mp-616160,MnC6S2NO5F6,-6.6766078976,-1.0887164563,0.5288268851,0.5288268851,GGA+U,Pnma,A6B6CDE5F2_oP84_62_2c2d_2c2d_c_c_c2d_2c:C-F-Mn-N-O-S,84.0,"Invalid WP multiplicities - A6B6CDE5F2_oP84_62_4c12d_7c12d_c_c_4c10d_5c:C-F-Mn-N-O-S, expected MnC28S5NO24F31 to be MnC6S2NO5F6" +mp-1189676,MnC2S2(NO6)2,-6.4464805521,-0.5556647418,1.0385800972,1.0385800972,GGA+U,P-1,A2BC2D12E2_aP19_2_i_a_i_6i_i:C-Mn-N-O-S,19.0,A2BC2D12E2_aP19_2_i_a_i_6i_i:C-Mn-N-O-S +mp-24657,ZnBP2H4NO8,-6.7544645597,-2.0340734309,0.0,-0.008242198,GGA,P-1,AB4CD8E2F_aP34_2_i_4i_i_8i_2i_i:B-H-N-O-P-Zn,34.0,"Invalid WP multiplicities - AB4CD8E2F_aP34_2_i_6i_i_11i_3i_i:B-H-N-O-P-Zn, expected ZnBP3H6NO11 to be ZnBP2H4NO8" +mp-720897,ZnB8(H2N)4,-4.5962751102,0.8886137391000001,1.5885106051,1.5885106051,GGA,P4_2/nmc,A8B8C4D_tP42_137_2g_2g_g_a:B-H-N-Zn,42.0,A8B8C4D_tP42_137_2g_2g_g_a:B-H-N-Zn +mp-1204596,BaP3H10C3NO9,-6.3705730624,-1.458394073,0.1114233853,0.1114233853,GGA,P-1,AB3C10DE9F3_aP54_2_i_3i_10i_i_9i_3i:Ba-C-H-N-O-P,54.0,AB3C10DE9F3_aP54_2_i_3i_10i_i_9i_3i:Ba-C-H-N-O-P +mp-743577,FeH12C2S2(O2F)6,-5.7363544794,-1.5437229706,0.1296139088,0.1296139088,GGA+U,C2/m,A2B6CD12E12F2_mC70_12_i_ij_a_3j_2i2j_i:C-F-Fe-H-O-S,35.0,A2B6CD12E12F2_mC70_12_i_ij_a_3j_2i2j_i:C-F-Fe-H-O-S +mp-738726,ZrH16C5N2O3F4,-5.8567232486,-1.0782194852,0.1351518121,0.1351518121,GGA,Aea2,A5B4C16D2E3F_oC248_41_5b_4b_16b_2b_3b_b:C-F-H-N-O-Zr,124.0,A5B4C16D2E3F_oC248_41_5b_4b_16b_2b_3b_b:C-F-H-N-O-Zr +mp-709143,ZrH11C4NOF5,-5.5676326341,-0.9753314355,0.4198667569,0.4198667569,GGA,Pbca,A4B5C11DEF_oP184_61_4c_5c_11c_c_c_c:C-F-H-N-O-Zr,184.0,A4B5C11DEF_oP184_61_4c_5c_11c_c_c_c:C-F-H-N-O-Zr +mp-722270,ZrH7CN4F5,-6.2501023908,-1.5596122256,0.0547337602,0.0547337602,GGA,Pnma,AB5C7D4E_oP72_62_c_3cd_5cd_4c_c:C-F-H-N-Zr,72.0,AB5C7D4E_oP72_62_c_3cd_5cd_4c_c:C-F-H-N-Zr +mp-1203669,ZrH24C8(NF3)2,-5.5151542127,-0.8335855955,0.0908654501,0.0908654501,GGA,R-3,A8B6C24D2E_hR123_148_cf_f_4f_c_a:C-F-H-N-Zr,41.0,A8B6C24D2E_hR123_148_cf_f_4f_c_a:C-F-H-N-Zr +mp-707343,ZrH12C2(NF)6,-6.1424591157,-1.3570669857,0.0,-0.0153924226,GGA,P-1,A2B6C12D6E_aP54_2_2i_6i_12i_6i_i:C-F-H-N-Zr,54.0,A2B6C12D6E_aP54_2_2i_6i_12i_6i_i:C-F-H-N-Zr +mp-722263,ZrH14C2(N4F3)2,-6.0781152139,-1.1534691026,0.0652910045,0.0652910045,GGA,P2_1/c,A2B6C14D8E_mP62_14_e_3e_7e_4e_a:C-F-H-N-Zr,62.0,A2B6C14D8E_mP62_14_e_3e_7e_4e_a:C-F-H-N-Zr +mp-760787,Li10Mn2V3Cr3O16,-7.3528812812,-2.2713771856,0.0570455902,0.0570455902,GGA+U,P1,A3B10C2D16E3_aP34_1_3a_10a_2a_16a_3a:Cr-Li-Mn-O-V,34.0,A3B10C2D16E3_aP34_1_3a_10a_2a_16a_3a:Cr-Li-Mn-O-V +mp-770036,Li4Mn3V2Cr3O16,-8.0387039279,-2.2745713824,0.0599816395,0.0599816395,GGA+U,P1,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cr-Li-Mn-O-V,28.0,A3B4C3D16E2_aP28_1_3a_4a_3a_16a_2a:Cr-Li-Mn-O-V +mp-754762,Li4Mn3V2Cr3O16,-8.0229692479,-2.2588367024,0.0757163195,0.0757163195,GGA+U,Cm,A3B4C3D16E2_mC56_8_ab_4a_ab_8a4b_2a:Cr-Li-Mn-O-V,28.0,"Invalid WP multiplicities - A3B4C3D16E2_mC56_8_ab_4a_ab_8a6b_2a:Cr-Li-Mn-O-V, expected Li4Mn3V2Cr3O20 to be Li4Mn3V2Cr3O16" +mp-1177396,Li4Mn3V2Cr(PO4)6,-7.9073284045,-2.5537548779,0.0908233396,0.0908233396,GGA+U,P1,AB4C3D24E6F2_aP40_1_a_4a_3a_24a_6a_2a:Cr-Li-Mn-O-P-V,40.0,AB4C3D24E6F2_aP40_1_a_4a_3a_24a_6a_2a:Cr-Li-Mn-O-P-V +mp-773000,Li4Mn2V3Cr3O16,-8.0890604221,-2.3277174918,0.0746299206,0.0746299206,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Cr-Li-Mn-O-V,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_a2b:Cr-Li-Mn-O-V, expected Li4Mn2V5Cr3O20 to be Li4Mn2V3Cr3O16" +mp-866638,KSc(BH4)4,-4.4283656957,-0.4081815204,0.0,-0.0723562331,GGA,Pnma,A4B16CD_oP88_62_2cd_4c6d_c_c:B-H-K-Sc,88.0,A4B16CD_oP88_62_2cd_4c6d_c_c:B-H-K-Sc +mp-1199838,KSc(BH4)4,-4.4156501735,-0.3954659983,0.0127155222,-0.0596407109,GGA,Pnma,A4B16CD_oP88_62_2cd_4c6d_c_c:B-H-K-Sc,88.0,A4B16CD_oP88_62_2cd_4c6d_c_c:B-H-K-Sc +mp-23808,KScBP2HO9,-7.734586243,-2.8771336242,0.0,-0.0251604167,GGA,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-H-K-O-P-Sc,30.0,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-H-K-O-P-Sc +mp-1217501,V2C12(NF3)3,-6.2408812271,0.3408339088,1.647072698,1.647072698,GGA+U,P2_1,A12B9C3D2_mP52_4_12a_9a_3a_2a:C-F-N-V,52.0,"Invalid WP multiplicities - A12B9C3D2_mP52_4_21a_18a_3a_2a:C-F-N-V, expected V2C21(NF6)3 to be V2C12(NF3)3" +mp-560484,VP2C4N3(ClF6)2,-5.9977126533,-1.4781510384,0.480026706,0.480026706,GGA+U,C2/c,A4B2C12D3E2F_mC96_15_2f_f_6f_ef_f_e:C-Cl-F-N-P-V,48.0,"Invalid WP multiplicities - A4B2C12D3E2F_mC96_15_5f_f_20f_2e2f_f_e:C-Cl-F-N-P-V, expected VP2C10N6(ClF20)2 to be VP2C4N3(ClF6)2" +mp-24280,GaH36C12S6(IO2)3,-5.0047985517,-0.3980930819,0.1739567791,0.1739567791,GGA,R-3,A12BC36D3E6F6_hR192_148_2f_a_6f_bc_f_f:C-Ga-H-I-O-S,64.0,"Invalid WP multiplicities - A12BC36D3E6F6_hR192_148_6f_a_10f_bc_f_f:C-Ga-H-I-O-S, expected GaH60C36S6(IO2)3 to be GaH36C12S6(IO2)3" +mp-644442,SnH2N2O3F2,-5.4551998525,-0.8420960661,0.6470794794,0.6470794794,GGA,C2,A2B2C2D3E_mC40_5_2ac_2c_2c_3c_c:F-H-N-O-Sn,20.0,A2B2C2D3E_mC40_5_2ac_2c_2c_3c_c:F-H-N-O-Sn +mp-698068,SnPH5NO4F,-5.9848052877,-1.6447104166000002,0.0058021865,0.0058021865,GGA,Pnma,AB5CD4EF_oP52_62_c_3cd_c_2cd_c_c:F-H-N-O-P-Sn,52.0,AB5CD4EF_oP52_62_c_3cd_c_2cd_c_c:F-H-N-O-P-Sn +mp-1203414,Sn6P3NO14,-6.6800314207,-1.7680532735,0.3684801288,0.3684801288,GGA,Pbcn,AB14C3D6_oP96_60_c_7d_cd_3d:N-O-P-Sn,96.0,AB14C3D6_oP96_60_c_7d_cd_3d:N-O-P-Sn +mp-603633,SnP4H8N2O13,-6.6446666104,-1.8666475626,0.0102063054,0.0102063054,GGA,P-1,A8B2C13D4E_aP56_2_8i_2i_13i_4i_i:H-N-O-P-Sn,56.0,"Invalid WP multiplicities - A8B2C13D4E_aP56_2_15i_4i_25i_6i_i:H-N-O-P-Sn, expected SnP6H15N4O25 to be SnP4H8N2O13" +mp-1194268,SnPNO4,-7.2459047304,-1.8821727115,0.1832979116,0.1832979116,GGA,P2_1/c,AB4CD_mP28_14_e_4e_e_e:N-O-P-Sn,28.0,AB4CD_mP28_14_e_4e_e_e:N-O-P-Sn +mp-1198015,Sn4P3NO12,-6.8657592717,-1.8670115517,0.3492755401,0.3492755401,GGA,P6_3,AB12C3D4_hP40_173_a_4c_c_bc:N-O-P-Sn,40.0,AB12C3D4_hP40_173_a_4c_c_bc:N-O-P-Sn +mp-1200976,Sn3P2(NO5)2,-6.6964072135,-1.4613955935,0.6116384846,0.6116384846,GGA,Cmc2_1,A2B10C2D3_oC68_36_b_6a2b_2a_ab:N-O-P-Sn,34.0,A2B10C2D3_oC68_36_b_6a2b_2a_ab:N-O-P-Sn +mp-726086,SnP2(NO3)2,-6.3183811682,-0.7557176240000001,1.260837359,1.260837359,GGA,P-1,A2B6C2D_aP22_2_2i_6i_2i_i:N-O-P-Sn,22.0,A2B6C2D_aP22_2_2i_6i_2i_i:N-O-P-Sn +mp-1207264,Ho2S2F,-5.014555856,-1.1447165678,1.7293977703,1.7293977703,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-Ho-S,5.0,AB2C2_tP5_123_a_g_g:F-Ho-S +mp-10931,HoSF,-6.8503797167,-3.3069338152,0.0,-0.0055083546,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-Ho-S,6.0,ABC_tP6_129_a_c_c:F-Ho-S +mp-1212475,HoC3S3(O2F)9,-5.4084679668,-0.9696014239,0.8979814878,0.8979814878,GGA,P6_3/m,A3B9CD18E3_hP68_176_h_hi_c_2h2i_h:C-F-Ho-O-S,68.0,A3B9CD18E3_hP68_176_h_hi_c_2h2i_h:C-F-Ho-O-S +mp-541101,HoH18C3S3(O2F)9,-5.7402371274,-1.6634961415,0.1450917997,0.1450917997,GGA,P6_3/m,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Ho-O-S,104.0,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Ho-O-S +mp-1224058,Ho3SOF5,-7.3036496,-4.0648735974,0.010228224,0.010228224,GGA,Pm,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Ho-O-S,20.0,A5B3CD_mP20_6_4a6b_3a3b_2a_ab:F-Ho-O-S +mp-1194934,AgH6CSN3,-5.4310418527,-0.3007491521,0.0636106792,0.0636106792,GGA,C2/c,ABC6D3E_mC96_15_f_f_6f_3f_f:Ag-C-H-N-S,48.0,ABC6D3E_mC96_15_f_f_6f_3f_f:Ag-C-H-N-S +mp-1215034,AgH4C2S2N3,-5.944613126,-0.266015153,0.0672200234,0.0672200234,GGA,P2_1/c,AB2C4D3E2_mP48_14_e_2e_4e_3e_2e:Ag-C-H-N-S,48.0,AB2C4D3E2_mP48_14_e_2e_4e_3e_2e:Ag-C-H-N-S +mp-1181731,H4CSIN2,-4.7746192008,0.2345336591,0.69195171,0.69195171,GGA,C2/c,AB4CD2E_mC72_15_f_4f_ce_2f_f:C-H-I-N-S,36.0,AB4CD2E_mC72_15_f_4f_ae_2f_f:C-H-I-N-S +mp-1204670,H4CSIN2,-5.4027069856,-0.3935541256,0.0638639253,0.0638639253,GGA,C2/c,AB4CD2E_mC72_15_f_4f_ce_2f_f:C-H-I-N-S,36.0,AB4CD2E_mC72_15_f_4f_ae_2f_f:C-H-I-N-S +mp-1238470,H4CSIN2,-5.4090258997,-0.3998730398,0.0575450111,0.0575450111,GGA,C2/c,AB4CD2E_mC72_15_f_4f_ce_2f_f:C-H-I-N-S,36.0,AB4CD2E_mC72_15_f_4f_ae_2f_f:C-H-I-N-S +mp-698405,AgH12C4S5N,-4.99688527,-0.2369428886,0.0818023459,0.0818023459,GGA,Cc,AB4C12DE5_mC92_9_a_4a_12a_a_5a:Ag-C-H-N-S,46.0,AB4C12DE5_mC92_9_a_4a_12a_a_5a:Ag-C-H-N-S +mp-1212742,H7C2SIN4,-5.8024814273,-0.3916674795,0.0337728893,0.0337728893,GGA,P2_1/c,A2B7CD4E_mP60_14_2e_7e_e_4e_e:C-H-I-N-S,60.0,A2B7CD4E_mP60_14_2e_7e_e_4e_e:C-H-I-N-S +mp-1192660,AgH2CS2N,-5.3313004693,-0.2661478629,0.0720224912,0.0720224912,GGA,I-42d,ABC2DE2_tI56_122_c_d_e_d_e:Ag-C-H-N-S,28.0,ABC2DE2_tI56_122_c_d_e_d_e:Ag-C-H-N-S +mp-1212322,KGdH2C2SO9,-7.7015356153,-2.1336635822,0.0350514999,0.0350514999,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Gd-H-K-O-S,64.0,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Gd-H-K-O-S +mp-738657,K3GdH6(C2O5)3,-7.2324767198,-1.834541269,0.0541666316,0.0541666316,GGA,P-1,A6BC6D3E15_aP62_2_6i_i_6i_3i_15i:C-Gd-H-K-O,62.0,A6BC6D3E15_aP62_2_6i_i_6i_3i_15i:C-Gd-H-K-O +mp-1198535,KGdH2S2O9,-7.2677040132,-2.283365919,0.0,-0.0376963829,GGA,P2_1/c,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Gd-H-K-O-S,60.0,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Gd-H-K-O-S +mp-1198531,UC4SNClO8,-7.1287582984,-0.7474418533,1.0968021878,1.0968021878,GGA,P2_1,A4BCD8EF_mP32_4_4a_a_a_8a_a_a:C-Cl-N-O-S-U,32.0,A4BCD8EF_mP32_4_4a_a_a_8a_a_a:C-Cl-N-O-S-U +mp-555133,AsC2N(OF3)2,-6.2364856433,-1.8352193481,0.1151903515,0.1151903515,GGA,P2_1/c,AB2C6DE2_mP48_14_e_2e_6e_e_2e:As-C-F-N-O,48.0,"Invalid WP multiplicities - AB2C6DE2_mP48_14_e_2e_20e_e_6e:As-C-F-N-O, expected AsC2N(O3F10)2 to be AsC2N(OF3)2" +mp-1197870,AsH3C(OF3)2,-5.3891049713,-1.8946270282,0.0973310593,0.0973310593,GGA,Pbca,ABC6D3E2_oP104_61_c_c_6c_3c_2c:As-C-F-H-O,104.0,ABC6D3E2_oP104_61_c_c_6c_3c_2c:As-C-F-H-O +mp-1238590,AsH3C(OF3)2,-5.3729247734,-1.8784468303,0.1135112572,0.1135112572,GGA,Pbca,ABC6D3E2_oP104_61_c_c_6c_3c_2c:As-C-F-H-O,104.0,ABC6D3E2_oP104_61_c_c_6c_3c_2c:As-C-F-H-O +mp-1182587,AsC3OF6,-5.2374128695,-0.8046240151,1.0816851211,1.0816851211,GGA,Cm,AB3C6D_mC44_8_2a_2a2b_4a4b_2a:As-C-F-O,22.0,AB3C6D_mC44_8_2a_2a2b_4a4b_2a:As-C-F-O +mp-557908,AsH5COF6,-4.9878032586,-1.6115906415,0.163382494,0.163382494,GGA,P2_1/m,ABC6D5E_mP28_11_e_e_2e2f_e2f_e:As-C-F-H-O,28.0,"Invalid WP multiplicities - ABC6D5E_mP28_11_e_e_4e8f_2e5f_e:As-C-F-H-O, expected AsH12COF20 to be AsH5COF6" +mp-555110,AsH5C2(OF3)2,-5.3831685427,-1.5430228650000002,0.1760483722,0.1760483722,GGA,P2_1/c,AB2C6D5E2_mP64_14_e_2e_6e_5e_2e:As-C-F-H-O,64.0,"Invalid WP multiplicities - AB2C6D5E2_mP64_14_e_4e_20e_18e_3e:As-C-F-H-O, expected AsH18C4O3F20 to be AsH5C2(OF3)2" +mp-1197342,AsH5C2(OF3)2,-5.2976000834,-1.4574544058,0.2616168314,0.2616168314,GGA,P2_1/c,AB2C6D5E2_mP64_14_e_2e_6e_5e_2e:As-C-F-H-O,64.0,AB2C6D5E2_mP64_14_e_2e_6e_5e_2e:As-C-F-H-O +mp-697077,AsH3CNOF9,-5.2288330616,-1.819304538,0.1261826212,0.1261826212,GGA,P-1,ABC9D3EF_aP32_2_i_i_9i_3i_i_i:As-C-F-H-N-O,32.0,ABC9D3EF_aP32_2_i_i_9i_3i_i_i:As-C-F-H-N-O +mp-1182438,AsCOF4,-5.5217742868,-1.738861647,0.4457404122,0.4457404122,GGA,P2_1/c,ABC4D_mP28_14_e_e_4e_e:As-C-F-O,28.0,ABC4D_mP28_14_e_e_4e_e:As-C-F-O +mp-1194818,AsH4CNF8,-5.1668812218,-1.761080239,0.0659341029,0.0659341029,GGA,P-1,ABC8D4E_aP60_2_2i_2i_16i_8i_2i:As-C-F-H-N,60.0,ABC8D4E_aP60_2_2i_2i_16i_8i_2i:As-C-F-H-N +mp-1190837,AsC2(OF3)2,-5.5912559777,-1.5477377398,0.5799819326,0.5799819326,GGA,P-1,AB2C6D2_aP22_2_i_2i_6i_2i:As-C-F-O,22.0,AB2C6D2_aP22_2_i_2i_6i_2i:As-C-F-O +mp-562248,Ag3CS(NO2)3,-5.9222198593,-0.4541912584,0.5553888663000001,0.5553888663000001,GGA,P-1,A3BC3D6E_aP28_2_ad2i_i_3i_6i_i:Ag-C-N-O-S,28.0,"Invalid WP multiplicities - A3BC3D6E_aP28_2_ad2i_i_5i_11i_i:Ag-C-N-O-S, expected Ag3CSN5O11 to be Ag3CS(NO2)3" +mp-1201087,AgWC9S4N3,-7.0551227619,0.7450972330000001,0.9926977348,0.9926977348,GGA,P2_1,AB9C3D4E_mP36_4_a_9a_3a_4a_a:Ag-C-N-S-W,36.0,AB9C3D4E_mP36_4_a_9a_3a_4a_a:Ag-C-N-S-W +mp-725545,AgWC9S4N3,-6.6023420944,1.1978779005,1.4454784023,1.4454784023,GGA,P2_1,AB9C3D4E_mP36_4_a_9a_3a_4a_a:Ag-C-N-S-W,36.0,AB9C3D4E_mP36_4_a_9a_3a_4a_a:Ag-C-N-S-W +mp-571309,Nd12C6I17,-5.2892307211,-1.3567452899,0.0,-0.15562365,GGA,C2/c,A6B17C12_mC140_15_3f_a8f_6f:C-I-Nd,70.0,"Invalid WP multiplicities - A6B17C12_mC140_15_8f_2c31f_20f:C-I-Nd, expected Nd5(CI4)2 to be Nd12C6I17" +mp-1198292,NdH24C4I3(NO)8,-5.8344189825,-0.9637147612,0.0233811566,0.0233811566,GGA,P2/c,A4B24C3D8EF8_mP96_13_2g_12g_eg_4g_f_4g:C-H-I-N-Nd-O,96.0,A4B24C3D8EF8_mP96_13_2g_12g_eg_4g_f_4g:C-H-I-N-Nd-O +mp-1197754,NpUP4H4(CO8)2,-7.5570934666,-1.9475343858,0.4619724111,0.4619724111,GGA,P2_1/m,A2B4CD16E4F_mP56_11_f_2f_e_2e7f_2f_a:C-H-Np-O-P-U,56.0,A2B4CD16E4F_mP56_11_f_2f_e_2e7f_2f_a:C-H-Np-O-P-U +mp-541750,CsS2N(O2F)2,-5.8975208777,-1.7860698967,0.0771334389,0.0771334389,GGA,P2_1/c,AB2CD4E2_mP40_14_e_2e_e_4e_2e:Cs-F-N-O-S,40.0,AB2CD4E2_mP40_14_e_2e_e_4e_2e:Cs-F-N-O-S +mp-554592,CsCS(OF)3,-5.8838826611,-2.013324798,0.1269072671,0.1269072671,GGA,P2_1,ABC3D3E_mP18_4_a_a_3a_3a_a:C-Cs-F-O-S,18.0,"Invalid WP multiplicities - ABC3D3E_mP18_4_a_a_6a_4a_a:C-Cs-F-O-S, expected CsCS(O2F3)2 to be CsCS(OF)3" +mp-723282,CsC4S4N8O2F,-6.3569950748,0.2856389052,0.9225955007,0.9225955007,GGA,Ibam,A4BCD8E2F4_oI80_72_2j_a_d_2k_j_2j:C-Cs-F-N-O-S,40.0,A4BCD8E2F4_oI80_72_2j_a_d_2k_j_2j:C-Cs-F-N-O-S +mp-573066,CsC2S2N(O2F3)2,-5.8847436784,-1.6836338868,0.2160720428,0.2160720428,GGA,C2/c,A2BC6DE4F2_mC128_15_2f_f_6f_f_4f_2f:C-Cs-F-N-O-S,64.0,"Invalid WP multiplicities - A2BC6DE4F2_mC128_15_6f_f_18f_f_12f_3f:C-Cs-F-N-O-S, expected CsC6S3N(O2F3)6 to be CsC2S2N(O2F3)2" +mp-1204276,Zn3H6C6(IO6)2,-6.1415035848,-1.2513457472,0.1436636228,0.1436636228,GGA,P2_1/c,A6B6C2D12E3_mP116_14_6e_6e_2e_12e_ab2e:C-H-I-O-Zn,116.0,A6B6C2D12E3_mP116_14_6e_6e_2e_12e_ab2e:C-H-I-O-Zn +mp-697957,ZnH8C2I2(N2O)2,-5.5741245157,-0.6770206853,0.0639548105,0.0639548105,GGA,P2_1/c,A2B8C2D4E2F_mP76_14_2e_8e_2e_4e_2e_e:C-H-I-N-O-Zn,76.0,A2B8C2D4E2F_mP76_14_2e_8e_2e_4e_2e_e:C-H-I-N-O-Zn +mp-707471,ZnH12(IN2)2,-4.05627423,0.0629451674,0.587278591,0.587278591,GGA,Pnma,A12B2C4D_oP76_62_2c5d_2c_2cd_c:H-I-N-Zn,76.0,A12B2C4D_oP76_62_2c5d_2c_2cd_c:H-I-N-Zn +mp-1197645,Si2BPH29C9N,-5.1465972516,-0.19946074,0.1017265279,0.1017265279,GGA,Cmc2_1,AB9C29DEF2_oC172_36_a_a4b_a14b_a_a_b:B-C-H-N-P-Si,86.0,AB9C29DEF2_oC172_36_a_a4b_a14b_a_a_b:B-C-H-N-P-Si +mp-1203791,B2PH20C5N,-5.0676710243,-0.2019320817,0.1462475,0.1462475,GGA,Pca2_1,A2B5C20DE_oP116_29_2a_5a_20a_a_a:B-C-H-N-P,116.0,A2B5C20DE_oP116_29_2a_5a_20a_a_a:B-C-H-N-P +mp-542611,Tl2S7N8,-5.603913194,0.3003453214,0.5069214068,0.5069214068,GGA,Pnma,A8B7C2_oP68_62_4c2d_5cd_d:N-S-Tl,68.0,A8B7C2_oP68_62_4c2d_5cd_d:N-S-Tl +mp-1208022,TlS2NO8,-5.8075311558,-0.9287355312,0.5120041078,0.5120041078,GGA,R32,AB8C2D_hR36_155_a_cf_c_b:N-O-S-Tl,12.0,AB8C2D_hR36_155_a_cf_c_b:N-O-S-Tl +mp-1208088,TlCSN,-6.1975823119,-0.1815189541,0.0720328633,0.0720328633,GGA,Pbcm,ABCD_oP16_57_d_d_d_c:C-N-S-Tl,16.0,ABCD_oP16_57_d_d_d_c:C-N-S-Tl +mp-1179159,TlC4S4N,-6.125713733,0.2902462179,0.5311958422,0.5311958422,GGA,P-1,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl,20.0,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl +mp-1179193,TlC4S4N,-6.009870046,0.4060899049,0.6470395292000001,0.6470395292000001,GGA,P-1,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl,20.0,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl +mp-1189292,TlC4S4N,-5.7517199285,0.6642400224,0.9051896467,0.9051896467,GGA,P-1,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl,20.0,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl +mp-1368835,TlC4S4N,-5.369377337,1.0465826139,1.2875322382,1.2875322382,GGA,P-1,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl,20.0,A4BC4D_aP20_2_4i_i_4i_i:C-N-S-Tl +mp-1208264,TlPC4S4(N2O)4,-6.021427923,0.6928957741,1.4066188805,1.4066188805,GGA,Cccm,A4B8C4DE4F_oC88_66_2l_2m_m_c_2l_b:C-N-O-P-S-Tl,44.0,A4B8C4DE4F_oC88_66_2l_2m_m_c_2l_b:C-N-O-P-S-Tl +mp-1199821,PCSN3O2,-6.9407045734,-0.2305445655,0.7207115766000001,0.7207115766000001,GGA,P2_1/c,AB3C2DE_mP64_14_2e_6e_4e_2e_2e:C-N-O-P-S,64.0,AB3C2DE_mP64_14_2e_6e_4e_2e_2e:C-N-O-P-S +mp-17769,YSO4F,-7.5982107243,-2.9837600396,0.0069396636,0.0069396636,GGA,Pnma,AB4CD_oP28_62_c_2cd_c_c:F-O-S-Y,28.0,AB4CD_oP28_62_c_2cd_c_c:F-O-S-Y +mp-10086,YSF,-7.46793589,-3.2964692408,0.0,-0.0084581408,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-S-Y,6.0,ABC_tP6_129_a_c_c:F-S-Y +mp-3632,YSF,-7.4414377475,-3.2699710983,0.0264981425,0.0180400017,GGA,P6_3/mmc,ABC_hP12_194_bc_f_ad:F-S-Y,12.0,"Invalid WP multiplicities - ABC_hP12_194_b2c_f_ad:F-S-Y, expected Y2S2F3 to be YSF" +mp-1216106,Y3SOF5,-7.8338546325,-4.0298599569,0.0091989736,0.0091989736,GGA,Pm,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Y,20.0,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Y +mp-746580,Y2CuH5S2O12F,-6.5512054955,-2.0494480017,0.1618731432,0.1618731432,GGA,P2_1/c,ABC5D12E2F2_mP92_14_e_e_5e_12e_2e_2e:Cu-F-H-O-S-Y,92.0,ABC5D12E2F2_mP92_14_e_e_5e_12e_2e_2e:Cu-F-H-O-S-Y +mp-1206456,Y2S2F,-5.761970706,-1.1385065204,1.73753576,1.73753576,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-S-Y,5.0,AB2C2_tP5_123_a_g_g:F-S-Y +mp-662802,Os6C19SO19,-8.5040388598,-0.9299858749,0.2143029694,0.2143029694,GGA,P-1,A19B19C6D_aP90_2_19i_19i_6i_i:C-O-Os-S,90.0,"Invalid WP multiplicities - A19B19C6D_aP90_2_37i_36i_12i_i:C-O-Os-S, expected Os12C37SO36 to be Os6C19SO19" +mp-649945,Os4C13SO13,-8.4772778662,-0.9506480522,0.1964455804,0.1964455804,GGA,P-1,A13B13C4D_aP124_2_26i_26i_8i_2i:C-O-Os-S,124.0,"Invalid WP multiplicities - A13B13C4D_aP124_2_52i_51i_14i_4i:C-O-Os-S, expected Os14C52S4O51 to be Os4C13SO13" +mp-1102534,POsS,-7.5527167392,-0.627010138,0.0,-0.0205473825,GGA,P2_1/c,ABC_mP12_14_e_e_e:Os-P-S,12.0,ABC_mP12_14_e_e_e:Os-P-S +mp-653602,Os3C8SO8,-8.4723694593,-0.91130017,0.2028159862,0.2028159862,GGA,P2_1/c,A8B8C3D_mP160_14_16e_16e_6e_2e:C-O-Os-S,160.0,"Invalid WP multiplicities - A8B8C3D_mP160_14_62e_62e_23e_5e:C-O-Os-S, expected Os23C62S5O62 to be Os3C8SO8" +mp-648289,Os3C8SO8,-8.4801522366,-0.9190829473,0.1950332089,0.1950332089,GGA,P2_1/c,A8B8C3D_mP160_14_16e_16e_6e_2e:C-O-Os-S,160.0,"Invalid WP multiplicities - A8B8C3D_mP160_14_61e_57e_19e_4e:C-O-Os-S, expected Os19C61S4O57 to be Os3C8SO8" +mp-707923,HOs6C18S2O19,-8.3238872438,-0.9514330104,0.2034912727,0.2034912727,GGA,P-1,A18BC19D6E2_aP92_2_18i_i_19i_6i_2i:C-H-O-Os-S,92.0,A18BC19D6E2_aP92_2_18i_i_19i_6i_2i:C-H-O-Os-S +mp-729593,HOs6C18S2O19,-6.3458338587,1.0266203747,2.1815446578,2.1815446578,GGA,P-1,A18BC19D6E2_aP92_2_18i_i_19i_6i_2i:C-H-O-Os-S,92.0,A18BC19D6E2_aP92_2_18i_i_19i_6i_2i:C-H-O-Os-S +mp-662792,Os2C6SO6,-8.4052120795,-0.9623247495,0.1690946723,0.1690946723,GGA,P-1,A6B6C2D_aP60_2_12i_12i_4i_2i:C-O-Os-S,60.0,"Invalid WP multiplicities - A6B6C2D_aP60_2_22i_24i_7i_4i:C-O-Os-S, expected Os7C22(SO6)4 to be Os2C6SO6" +mp-667495,Os4C12SO12,-8.4994100505,-0.9425076356,0.192126389,0.192126389,GGA,P1,A12B12C4D_aP116_1_48a_48a_16a_4a:C-O-Os-S,116.0,"Invalid WP multiplicities - A12B12C4D_mC232_9_47a_48a_16a_2a:C-O-Os-S, expected Os16C47(SO24)2 to be Os4C12SO12" +mp-726915,Os4C12SO12,-8.4182713717,-0.8613689568,0.2732650678,0.2732650678,GGA,P2_1/m,A12B12C4D_mP58_11_2e5f_2e5f_2ef_e:C-O-Os-S,58.0,A12B12C4D_mP58_11_2e5f_2e5f_2ef_e:C-O-Os-S +mp-621927,Os3C10SO10,-8.4466108367,-0.9644402452,0.1852828764,0.1852828764,GGA,P-1,A10B10C3D_aP48_2_10i_10i_3i_i:C-O-Os-S,48.0,"Invalid WP multiplicities - A10B10C3D_aP48_2_19i_17i_5i_i:C-O-Os-S, expected Os5C19SO17 to be Os3C10SO10" +mp-1203196,H2Os3C8(SO4)2,-7.957396398,-0.9076882353,0.1580146008,0.1580146008,GGA,C2/c,A8B2C8D3E2_mC92_15_4f_f_4f_ef_f:C-H-O-Os-S,46.0,A8B2C8D3E2_mC92_15_4f_f_4f_ef_f:C-H-O-Os-S +mp-608431,Os3C9S2O9,-8.3552357365,-0.9842274818,0.1451653427,0.1451653427,GGA,P-1,A9B9C3D2_aP46_2_9i_9i_3i_2i:C-O-Os-S,46.0,"Invalid WP multiplicities - A9B9C3D2_aP46_2_16i_18i_4i_2i:C-O-Os-S, expected Os2C8SO9 to be Os3C9S2O9" +mp-648263,Os4C13S2O13,-8.3936041746,-0.9729174839,0.1707730959,0.1707730959,GGA,P2_1/c,A13B13C4D2_mP128_14_13e_13e_4e_2e:C-O-Os-S,128.0,"Invalid WP multiplicities - A13B13C4D2_mP128_14_49e_50e_14e_5e:C-O-Os-S, expected Os14C49(SO10)5 to be Os4C13S2O13" +mp-649186,Os10C23S2O23,-8.3977668563,-0.6981164991000001,0.3907327687,0.3907327687,GGA,C2/c,A23B23C10D2_mC232_15_e11f_e11f_2e4f_f:C-O-Os-S,116.0,"Invalid WP multiplicities - A23B23C10D2_mC232_15_2e42f_2e41f_4e12f_f:C-O-Os-S, expected Os14C43SO42 to be Os10C23S2O23" +mp-648912,Os5C15SO15,-8.5124969199,-0.9318413623,0.2034623711,0.2034623711,GGA,Pna2_1,A15B15C5D_oP144_33_15a_15a_5a_a:C-O-Os-S,144.0,"Invalid WP multiplicities - A15B15C5D_oP144_33_56a_57a_17a_a:C-O-Os-S, expected Os17C56SO57 to be Os5C15SO15" +mp-679948,Os3C8(SO4)2,-8.3473011565,-0.9493089825,0.1611919254,0.1611919254,GGA,P2_1/c,A8B8C3D2_mP168_14_16e_16e_6e_4e:C-O-Os-S,168.0,"Invalid WP multiplicities - A8B8C3D2_mP168_14_64e_59e_20e_13e:C-O-Os-S, expected Os20C64S13O59 to be Os3C8(SO4)2" +mp-698354,P3H18OsC6(SO)6,-5.5966047667000005,-0.6364255622,0.1602523712,0.1602523712,GGA,C2/c,A6B18C6DE3F6_mC160_15_3f_9f_3f_e_ef_3f:C-H-O-Os-P-S,80.0,A6B18C6DE3F6_mC160_15_3f_9f_3f_e_ef_3f:C-H-O-Os-P-S +mp-648805,Os7C19SO19,-8.5593978703,-0.9059250062,0.2134879937,0.2134879937,GGA,P2_1,A19B19C7D_mP92_4_19a_19a_7a_a:C-O-Os-S,92.0,"Invalid WP multiplicities - A19B19C7D_mP92_4_38a_37a_13a_a:C-O-Os-S, expected Os13C38SO37 to be Os7C19SO19" +mp-662796,Os4C13(SO6)2,-8.380522985,-0.8800299079,0.2148921133,0.2148921133,GGA,P-1,A13B12C4D2_aP62_2_13i_12i_4i_2i:C-O-Os-S,62.0,"Invalid WP multiplicities - A13B12C4D2_aP62_2_25i_23i_7i_2i:C-O-Os-S, expected Os7C25S2O23 to be Os4C13(SO6)2" +mp-667389,Os6C17SO17,-8.5320539583,-0.9105496678,0.2158397517,0.2158397517,GGA,Pna2_1,A17B17C6D_oP164_33_17a_17a_6a_a:C-O-Os-S,164.0,"Invalid WP multiplicities - A17B17C6D_oP164_33_63a_63a_21a_a:C-O-Os-S, expected Os21C63SO63 to be Os6C17SO17" +mp-648264,Os6C17S2O17,-8.4662509815,-0.9277241773,0.1965653975,0.1965653975,GGA,P2_12_12_1,A17B17C6D2_oP168_19_17a_17a_6a_2a:C-O-Os-S,168.0,"Invalid WP multiplicities - A17B17C6D2_oP168_19_65a_64a_22a_8a:C-O-Os-S, expected Os22C65(SO8)8 to be Os6C17S2O17" +mp-1204647,Os3C9SO9,-8.4219263519,-0.903892716,0.2296454213,0.2296454213,GGA,P-1,A9B9C3D_aP88_2_18i_18i_6i_2i:C-O-Os-S,88.0,A9B9C3D_aP88_2_18i_18i_6i_2i:C-O-Os-S +mp-733755,Os3C9SO13,-8.1709175664,-1.0484754574,0.3192131046,0.3192131046,GGA,C2/c,A9B13C3D_mC208_15_9f_13f_3f_f:C-O-Os-S,104.0,A9B13C3D_mC208_15_9f_13f_3f_f:C-O-Os-S +mp-1211893,InH3(IO4)2,-5.1385240604,-1.1778023279,0.0068144499,0.0068144499,GGA,P-1,A3B2CD8_aP28_2_3i_2i_ac_8i:H-I-In-O,28.0,A3B2CD8_aP28_2_3i_2i_ac_8i:H-I-In-O +mp-24281,InH36C12S6(IO2)3,-4.9910074386000005,-0.3886209108,0.1833512658,0.1833512658,GGA,R-3,A12B36C3DE6F6_hR192_148_2f_6f_ac_b_f_f:C-H-I-In-O-S,64.0,"Invalid WP multiplicities - A12B36C3DE6F6_hR192_148_6f_10f_ac_b_f_f:C-H-I-In-O-S, expected InH60C36S6(IO2)3 to be InH36C12S6(IO2)3" +mp-723175,K4CuP6(H4O11)2,-6.4961718738,-2.1793529102,0.0263867788,0.0263867788,GGA,P2_1/c,AB8C4D22E6_mP82_14_a_4e_2e_11e_3e:Cu-H-K-O-P,82.0,AB8C4D22E6_mP82_14_a_4e_2e_11e_3e:Cu-H-K-O-P +mp-642804,KCu2P2H3(O4F)2,-6.1039833517,-2.0089798483,0.0140187948,0.0140187948,GGA,C2/m,A2B2C3DE8F2_mC36_12_e_i_ai_c_2ij_i:Cu-F-H-K-O-P,18.0,A2B2C3DE8F2_mC36_12_e_i_ci_a_2ij_i:Cu-F-H-K-O-P +mp-695887,K3Cu2P4HO14,-6.7315234887,-2.32197398,0.0,-0.004487003,GGA,P-1,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Cu-H-K-O-P,24.0,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Cu-H-K-O-P +mp-1193339,K2CuP4H8O15,-6.059958439,-1.7494466517,0.292095398,0.292095398,GGA,C2/m,AB8C2D15E4_mC60_12_a_2j_i_di3j_j:Cu-H-K-O-P,30.0,AB8C2D15E4_mC60_12_a_2j_i_di3j_j:Cu-H-K-O-P +mp-706287,KCuPH2O5,-6.1324786365,-1.9182982595,0.024161504,0.024161504,GGA,P2_1/c,AB2CD5E_mP40_14_e_2e_e_5e_e:Cu-H-K-O-P,40.0,AB2CD5E_mP40_14_e_2e_e_5e_e:Cu-H-K-O-P +mp-555996,CIN2(O2F)3,-5.8677651219,-1.037796594,0.2541362246,0.2541362246,GGA,P2_1/c,AB3CD2E6_mP52_14_e_3e_e_2e_6e:C-F-I-N-O,52.0,"Invalid WP multiplicities - AB3CD2E6_mP52_14_e_9e_e_5e_21e:C-F-I-N-O, expected CIN5(O7F3)3 to be CIN2(O2F)3" +mp-723625,HfNF4,-6.8316850817,-2.5084184442,0.9308735631,0.9308735631,GGA,P-1,A4BC_aP24_2_8i_2i_2i:F-Hf-N,24.0,A4BC_aP24_2_8i_2i_2i:F-Hf-N +mp-1204663,HfH14C4NOF5,-5.7291997122,-1.2210999389,0.0654282479,0.0654282479,GGA,Pbca,A4B5C14DEF_oP208_61_4c_5c_14c_c_c_c:C-F-H-Hf-N-O,208.0,A4B5C14DEF_oP208_61_4c_5c_14c_c_c_c:C-F-H-Hf-N-O +mp-1212491,HfNF5,-6.5857782804,-2.6070527386,0.340911839,0.340911839,GGA,P2_1/c,A5BC_mP28_14_5e_e_e:F-Hf-N,28.0,A5BC_mP28_14_5e_e_e:F-Hf-N +mp-1193753,HfNF5,-6.5838666464,-2.6051411046,0.342823473,0.342823473,GGA,Cmce,A5BC_oC56_64_d2fg_f_d:F-Hf-N,28.0,A5BC_oC56_64_d2fg_f_d:F-Hf-N +mp-1194811,UAg2P2H2CO8,-7.1797285961,-1.9690564522,0.1946438128,0.1946438128,GGA,P2_1/c,A2BC2D8E2F_mP64_14_2e_e_2e_8e_2e_e:Ag-C-H-O-P-U,64.0,A2BC2D8E2F_mP64_14_2e_e_2e_8e_2e_e:Ag-C-H-O-P-U +mp-1196270,UH18C7(N2O3)4,-6.8272331833,-1.109551418,0.0367757216,0.0367757216,GGA,P-1,A7B18C8D12E_aP92_2_7i_18i_8i_12i_i:C-H-N-O-U,92.0,A7B18C8D12E_aP92_2_7i_18i_8i_12i_i:C-H-N-O-U +mp-1195272,UH12C6N3O8,-6.8591111965,-1.1271408642,0.0836691605,0.0836691605,GGA,P2_1/c,A6B12C3D8E_mP120_14_6e_12e_3e_8e_e:C-H-N-O-U,120.0,A6B12C3D8E_mP120_14_6e_12e_3e_8e_e:C-H-N-O-U +mp-558003,UH12C4N4O11,-6.4317896581,-0.9105915318,0.497220427,0.497220427,GGA,P2_1/c,A4B12C4D11E_mP128_14_4e_12e_4e_11e_e:C-H-N-O-U,128.0,"Invalid WP multiplicities - A4B12C4D11E_mP128_14_14e_43e_15e_41e_e:C-H-N-O-U, expected UH43C14N15O41 to be UH12C4N4O11" +mp-1197122,UH24C8N2(Cl2O)2,-5.5160019389,-0.6255952818,0.0778123259,0.0778123259,GGA,P4_2/mnm,A8B4C24D2E2F_tP82_136_k_ef_3k_d_g_a:C-Cl-H-N-O-U,82.0,A8B4C24D2E2F_tP82_136_k_ef_3k_d_g_a:C-Cl-H-N-O-U +mp-738654,UH16C4(NO3)4,-6.5403685559,-1.2648028009,0.0925175676,0.0925175676,GGA,P2_1/c,A4B16C4D12E_mP148_14_4e_16e_4e_12e_e:C-H-N-O-U,148.0,A4B16C4D12E_mP148_14_4e_16e_4e_12e_e:C-H-N-O-U +mp-1217415,UH14C6(NO2)6,-6.8374838249,-1.1056683972,0.1710741591,0.1710741591,GGA,Pc,A6B14C6D12E_mP78_7_6a_14a_6a_12a_a:C-H-N-O-U,78.0,"Invalid WP multiplicities - A6B14C6D12E_mP78_7_9a_21a_9a_17a_a:C-H-N-O-U, expected UH21C9N9O17 to be UH14C6(NO2)6" +mp-1203169,UH13C3N6ClO10,-6.4697666921,-1.0457302687,0.2586734786,0.2586734786,GGA,P-1,A3BC13D6E10F_aP68_2_3i_i_13i_6i_10i_i:C-Cl-H-N-O-U,68.0,A3BC13D6E10F_aP68_2_3i_i_13i_6i_10i_i:C-Cl-H-N-O-U +mp-1202470,UH16C3N4O11,-6.5282603559,-1.3562438207,0.0,-0.0048276689,GGA,C2/c,A3B16C4D11E_mC140_15_ef_8f_2f_e5f_e:C-H-N-O-U,70.0,A3B16C4D11E_mC140_15_ef_8f_2f_e5f_e:C-H-N-O-U +mp-1196522,UH17C10N3O10,-6.6866765132,-0.9371453037,0.1477365225,0.1477365225,GGA,P-3,A10B17C3D10E_hP246_147_10g_17g_3g_10g_g:C-H-N-O-U,246.0,A10B17C3D10E_hP246_147_10g_17g_3g_10g_g:C-H-N-O-U +mp-1201731,UH16C4(NO3)2,-5.9974080852,-0.8648973673,0.2003625774,0.2003625774,GGA,P2_1/c,A4B16C2D6E_mP58_14_2e_8e_e_3e_a:C-H-N-O-U,58.0,A4B16C2D6E_mP58_14_2e_8e_e_3e_a:C-H-N-O-U +mp-1197493,UH25C12NO8,-6.1635743343,-0.7430732351,0.0956522206,0.0956522206,GGA,Pna2_1,A12B25CD8E_oP188_33_12a_25a_a_8a_a:C-H-N-O-U,188.0,A12B25CD8E_oP188_33_12a_25a_a_8a_a:C-H-N-O-U +mp-1199760,UH18C4N10O13,-6.6217128688,-1.03590758,0.1463321556,0.1463321556,GGA,P2_1/c,A4B18C10D13E_mP184_14_4e_18e_10e_13e_e:C-H-N-O-U,184.0,A4B18C10D13E_mP184_14_4e_18e_10e_13e_e:C-H-N-O-U +mp-1200079,AlB5H16(NO7)2,-6.4278514771,-1.7606729715,0.019599395,0.019599395,GGA,C222_1,AB5C16D2E14_oC152_20_a_b2c_8c_c_ab6c:Al-B-H-N-O,76.0,AB5C16D2E14_oC152_20_a_b2c_8c_c_ab6c:Al-B-H-N-O +mp-24757,AlBP2H5NO9,-6.9819365971,-2.1886789042,0.0,-0.0006145653,GGA,P2_1/c,ABC5DE9F2_mP76_14_e_e_5e_e_9e_2e:Al-B-H-N-O-P,76.0,"Invalid WP multiplicities - ABC5DE9F2_mP76_14_e_e_6e_e_20e_2e:Al-B-H-N-O-P, expected AlBP2H6NO20 to be AlBP2H5NO9" +mp-1181887,K3Mo4CSNO16,-6.9294085953,-1.2539306359,0.7540643625,0.7540643625,GGA+U,P2_1/c,AB3C4DE16F_mP104_14_e_3e_4e_e_16e_e:C-K-Mo-N-O-S,104.0,AB3C4DE16F_mP104_14_e_3e_4e_e_16e_e:C-K-Mo-N-O-S +mp-1211906,K5Zn4Sn5H4S17N,-4.3672218131000005,-0.9542808327,0.0,-0.010068646,GGA,I-4m2,A4B5CD17E5F4_tI72_119_i_ag_c_b2ij_di_i:H-K-N-S-Sn-Zn,36.0,A4B5CD17E5F4_tI72_119_i_ag_c_b2ij_di_i:H-K-N-S-Sn-Zn +mp-722979,K2Zn(H2N)4,-4.7096820487,-0.4451267444,0.0,-0.0184291994,GGA,P-1,A8B2C4D_aP30_2_8i_2i_4i_i:H-K-N-Zn,30.0,A8B2C4D_aP30_2_8i_2i_4i_i:H-K-N-Zn +mp-1201394,K2Zn(H2N)4,-4.7061562085,-0.4416009042,0.0035258402,-0.0149033592,GGA,P2_1/c,A8B2C4D_mP60_14_8e_2e_4e_e:H-K-N-Zn,60.0,A8B2C4D_mP60_14_8e_2e_4e_e:H-K-N-Zn +mp-1202707,B5H5CI,-5.332608937,-0.2440571935,0.0,-0.022416382,GGA,P2_1/c,A5BC5D_mP96_14_10e_2e_10e_2e:B-C-H-I,96.0,A5BC5D_mP96_14_10e_2e_10e_2e:B-C-H-I +mp-1195030,B10H33C10I,-5.2013628955,-0.1548092201,0.0759149162,0.0759149162,GGA,P-1,A10B10C33D_aP108_2_10i_10i_33i_i:B-C-H-I,108.0,A10B10C33D_aP108_2_10i_10i_33i_i:B-C-H-I +mp-1178630,Zr6BH42C12I13O12,-5.236144962,-0.7045391197,0.3269461431,0.3269461431,GGA,R-3,AB12C42D13E12F6_hR258_148_a_2f_7f_b2f_2f_f:B-C-H-I-O-Zr,86.0,AB12C42D13E12F6_hR258_148_a_2f_7f_b2f_2f_f:B-C-H-I-O-Zr +mp-1191059,Zr(BH4)4,-4.5672607719,-0.3030281798,0.0,-0.0822018038,GGA,P-43m,A4B16C_cP21_215_e_ei_a:B-H-Zr,21.0,A4B16C_cP21_215_e_ei_a:B-H-Zr +mp-1199921,Zr6C(I7O5)2,-5.2910644706,-1.0778746227,0.9791738746,0.9791738746,GGA,P-1,AB14C10D6_aP31_2_a_7i_5i_3i:C-I-O-Zr,31.0,AB14C10D6_aP31_2_a_7i_5i_3i:C-I-O-Zr +mp-1352297,Zr6C(I7O5)2,-3.2285321948,0.9846576531,3.0417061504,3.0417061504,GGA,P-1,AB14C10D6_aP31_2_a_7i_5i_3i:C-I-O-Zr,31.0,AB14C10D6_aP31_2_a_7i_5i_3i:C-I-O-Zr +mp-553984,AsP3H18C6(SO)6,-5.4527648927,-0.6567919138,0.1220733011,0.1220733011,GGA,P-1,AB6C18D6E3F6_aP80_2_i_6i_18i_6i_3i_6i:As-C-H-O-P-S,80.0,"Invalid WP multiplicities - AB6C18D6E3F6_aP80_2_i_10i_35i_11i_4i_8i:As-C-H-O-P-S, expected AsP4H35C10S8O11 to be AsP3H18C6(SO)6" +mp-567268,GdH8C10N(O2F3)4,-6.654820386,-1.5460119423,0.2001290428,0.2001290428,GGA,P-1,A10B12CD8EF8_aP80_2_10i_12i_i_8i_i_8i:C-F-Gd-H-N-O,80.0,"Invalid WP multiplicities - A10B12CD8EF8_aP80_2_20i_24i_i_16i_i_15i:C-F-Gd-H-N-O, expected GdH16C20N(O5F8)3 to be GdH8C10N(O2F3)4" +mp-1196643,LiC2S2NO5F6,-5.7341160279,-1.4295298001,0.5017611389000001,0.5017611389000001,GGA,P-1,A2B6CDE5F2_aP136_2_8i_24i_abdf2i_4i_20i_8i:C-F-Li-N-O-S,136.0,A2B6CDE5F2_aP136_2_8i_24i_abdf2i_4i_20i_8i:C-F-Li-N-O-S +mp-559971,LiS2N(O2F)2,-5.9576675223,-1.7448644918,0.095363363,0.095363363,GGA,P6_3/m,A2BCD4E2_hP60_176_i_cf_h_2i_i:F-Li-N-O-S,60.0,"Invalid WP multiplicities - A2BCD4E2_hP60_176_i_cf_h_14i_i:F-Li-N-O-S, expected LiS2N(O14F)2 to be LiS2N(O2F)2" +mp-557395,LiC2S2N(O2F3)2,-5.9297377497,-1.6652829272,0.2420733804,0.2420733804,GGA,Pccn,A2B6CDE4F2_oP64_56_e_3e_c_d_2e_e:C-F-Li-N-O-S,64.0,"Invalid WP multiplicities - A2B6CDE4F2_oP64_56_e_15e_c_d_10e_e:C-F-Li-N-O-S, expected LiC2S2N(O2F3)10 to be LiC2S2N(O2F3)2" +mp-698262,VH16C4(NO4)3,-6.3339877699,-1.204767379,0.0651936487,0.0651936487,GGA+U,P2_12_12_1,A4B16C3D12E_oP144_19_4a_16a_3a_12a_a:C-H-N-O-V,144.0,A4B16C3D12E_oP144_19_4a_16a_3a_12a_a:C-H-N-O-V +mp-1197450,V3C4NO7,-7.8359237615,-0.6939440226,1.0382333803,1.0382333803,GGA+U,P2_1/c,A4BC7D3_mP60_14_4e_e_7e_3e:C-N-O-V,60.0,A4BC7D3_mP60_14_4e_e_7e_3e:C-N-O-V +mp-1195643,VH12C6NO4,-6.1243152417,-0.570487686,0.2353700159,0.2353700159,GGA+U,P2_1,A6B12CD4E_mP48_4_6a_12a_a_4a_a:C-H-N-O-V,48.0,A6B12CD4E_mP48_4_6a_12a_a_4a_a:C-H-N-O-V +mp-1202853,V7C2(NO8)2,-8.4391458213,-1.8515649804,0.3127198278,0.3127198278,GGA+U,P-1,A2B2C16D7_aP54_2_2i_2i_16i_7i:C-N-O-V,54.0,A2B2C16D7_aP54_2_2i_2i_16i_7i:C-N-O-V +mp-1247806,VH6CNO3,-6.1855000346,-1.0317092937,0.153501397,0.153501397,GGA+U,Pna2_1,AB6CD3E_oP192_33_4a_24a_4a_12a_4a:C-H-N-O-V,192.0,AB6CD3E_oP192_33_4a_24a_4a_12a_4a:C-H-N-O-V +mp-1197334,V2H6C8N2O13,-6.5403470795,-0.3037846458,1.1136420373,1.1136420373,GGA+U,Cc,A8B6C2D13E2_mC124_9_8a_6a_2a_13a_2a:C-H-N-O-V,62.0,A8B6C2D13E2_mC124_9_8a_6a_2a_13a_2a:C-H-N-O-V +mp-1202513,VC4N2O11,-7.08400034,-0.5792706892,1.0748532305,1.0748532305,GGA+U,P2_1/c,A4B2C11D_mP72_14_4e_2e_11e_e:C-N-O-V,72.0,A4B2C11D_mP72_14_4e_2e_11e_e:C-N-O-V +mp-560592,V3H8C2NO7,-6.8110862295,-1.2961255886,0.1735215713,0.1735215713,GGA+U,P2_1,A2B8CD7E3_mP42_4_2a_8a_a_7a_3a:C-H-N-O-V,42.0,"Invalid WP multiplicities - A2B8CD7E3_mP42_4_2a_13a_a_13a_6a:C-H-N-O-V, expected V6H13C2NO13 to be V3H8C2NO7" +mp-1201428,V5H28C8N13O17,-6.6571268581,-0.9287701586,0.1933643975,0.1933643975,GGA+U,P-1,A8B28C13D17E5_aP142_2_8i_28i_13i_17i_5i:C-H-N-O-V,142.0,A8B28C13D17E5_aP142_2_8i_28i_13i_17i_5i:C-H-N-O-V +mp-746681,VH8C2NO3,-6.0539261213,-0.8632856898,0.1272793461,0.1272793461,GGA+U,P-1,A2B8CD3E_aP120_2_8i_32i_4i_12i_4i:C-H-N-O-V,120.0,A2B8CD3E_aP120_2_8i_32i_4i_12i_4i:C-H-N-O-V +mp-819752,VH8C2NO3,-3.4229559633,1.7676844682,2.7582495041,2.7582495041,GGA+U,P-1,A2B8CD3E_aP120_2_8i_32i_4i_12i_4i:C-H-N-O-V,120.0,A2B8CD3E_aP120_2_8i_32i_4i_12i_4i:C-H-N-O-V +mp-746324,V2As3H17C4N8O17,-6.5837916987,-1.1421870011,0.0913831452,0.0913831452,GGA+U,P-1,A3B4C17D8E17F2_aP102_2_3i_4i_17i_8i_17i_2i:As-C-H-N-O-V,102.0,A3B4C17D8E17F2_aP102_2_3i_4i_17i_8i_17i_2i:As-C-H-N-O-V +mp-600200,V3H6CNO7,-7.0505439285,-1.5060963798,0.1525529544,0.1525529544,GGA+U,P2_1/c,AB6CD7E3_mP72_14_e_6e_e_7e_3e:C-H-N-O-V,72.0,"Invalid WP multiplicities - AB6CD7E3_mP72_14_e_22e_e_24e_8e:C-H-N-O-V, expected V8H22CNO24 to be V3H6CNO7" +mp-698522,Sb3P2H6C2NO9,-6.0733799328,-1.0784238757,0.4367609237,0.4367609237,GGA,P-1,A2B6CD9E2F3_aP46_2_2i_6i_i_9i_2i_3i:C-H-N-O-P-Sb,46.0,A2B6CD9E2F3_aP46_2_2i_6i_i_9i_2i_3i:C-H-N-O-P-Sb +mp-720401,B10H13CSN,-5.2932344273,-0.1931972512,0.1632189496,0.1632189496,GGA,P2_1/c,A10BC13DE_mP104_14_10e_e_13e_e_e:B-C-H-N-S,104.0,A10BC13DE_mP104_14_10e_e_13e_e_e:B-C-H-N-S +mp-720402,B10H13CSN,-5.2928779594,-0.1928407834,0.1635754175,0.1635754175,GGA,P2_1/c,A10BC13DE_mP104_14_10e_e_13e_e_e:B-C-H-N-S,104.0,A10BC13DE_mP104_14_10e_e_13e_e_e:B-C-H-N-S +mp-758974,FeB18H32(C4S)2,-5.3852945189,-0.1497448435,0.1007197768,0.1007197768,GGA,P2_12_12,A18B8CD32E2_oP122_18_9c_4c_a_16c_c:B-C-Fe-H-S,122.0,"Invalid WP multiplicities - A18B8CD32E2_oP122_18_33c_10c_a_58c_c:B-C-Fe-H-S, expected FeB66H116(C10S)2 to be FeB18H32(C4S)2" +mp-1226982,FeB18H42C8(SN)2,-5.1968638892,-0.1287984029,0.2007279655,0.2007279655,GGA,C2/c,A18B8CD42E2F2_mC292_15_9f_4f_c_21f_2e_f:B-C-Fe-H-N-S,146.0,"Invalid WP multiplicities - A18B8CD42E2F2_mC292_15_18f_10f_c_48f_4e_f:B-C-Fe-H-N-S, expected FeB36H96C20(SN2)2 to be FeB18H42C8(SN)2" +mp-706606,BH5CSN2,-5.721724211,-0.3536114905,0.2339673294,0.2339673294,GGA,Pnma,ABC5D2E_oP40_62_c_c_c2d_2c_c:B-C-H-N-S,40.0,ABC5D2E_oP40_62_c_c_c2d_2c_c:B-C-H-N-S +mp-8845,SeS2(NO)2,-5.8844914829,-0.4080374137,0.3122973652,0.3122973652,GGA,C2/c,A2B2C2D_mC28_15_f_f_f_e:N-O-S-Se,14.0,A2B2C2D_mC28_15_f_f_f_e:N-O-S-Se +mp-683911,C7SeNF5,-6.7974135276,-0.6552378356,0.3192596793,0.3192596793,GGA,P2_1/c,A7B5CD_mP112_14_14e_10e_2e_2e:C-F-N-Se,112.0,"Invalid WP multiplicities - A7B5CD_mP112_14_52e_38e_4e_3e:C-F-N-Se, expected C52Se3(N2F19)2 to be C7SeNF5" +mp-1197802,Se2S8N4O15,-5.2078238166,-0.1171433938,1.0726878953,1.0726878953,GGA,Pbcn,A4B15C8D2_oP116_60_2d_c7d_4d_d:N-O-S-Se,116.0,A4B15C8D2_oP116_60_2d_c7d_4d_d:N-O-S-Se +mp-555329,CSe2S2N2(OF)3,-5.7364126352,-0.9871140915,0.2584796376,0.2584796376,GGA,P2_1/c,AB3C2D3E2F2_mP52_14_e_3e_2e_3e_2e_2e:C-F-N-O-S-Se,52.0,"Invalid WP multiplicities - AB3C2D3E2F2_mP52_14_e_8e_5e_7e_8e_6e:C-F-N-O-S-Se, expected CSe6S8N5O7F8 to be CSe2S2N2(OF)3" +mp-557877,C2SeS2O7F6,-5.8701986311,-1.6300965767000002,0.2325543819,0.2325543819,GGA,P2_1/c,A2B6C7D2E_mP72_14_2e_6e_7e_2e_e:C-F-O-S-Se,72.0,"Invalid WP multiplicities - A2B6C7D2E_mP72_14_7e_22e_26e_4e_e:C-F-O-S-Se, expected C7SeS4(O13F11)2 to be C2SeS2O7F6" +mp-603612,TiP4H8N2O13,-6.923118508,-2.0063165973,0.0257479238,0.0257479238,GGA,P-1,A8B2C13D4E_aP56_2_8i_2i_13i_4i_i:H-N-O-P-Ti,56.0,"Invalid WP multiplicities - A8B2C13D4E_aP56_2_16i_4i_26i_7i_i:H-N-O-P-Ti, expected TiP7H16(N2O13)2 to be TiP4H8N2O13" +mp-1201103,TiC7(NO)12,-6.6693980186,0.577300547,1.7355073509,1.7355073509,GGA,P2_1,A7B12C12D_mP64_4_7a_12a_12a_a:C-N-O-Ti,64.0,A7B12C12D_mP64_4_7a_12a_12a_a:C-N-O-Ti +mp-1217444,Ti7P12C6(NO24)2,-7.9394842344,-2.2099626992,0.4422173932,0.4422173932,GGA,R-3,A6B2C48D12E7_hR225_148_f_c_8f_2f_af:C-N-O-P-Ti,75.0,A6B2C48D12E7_hR225_148_f_c_8f_2f_af:C-N-O-P-Ti +mp-557853,TiH8C4NO10,-6.8762896239,-1.4698169412,0.078184066,0.078184066,GGA,P6_222,A4B8CD10E_hP72_180_2i_2k_b_g2k_d:C-H-N-O-Ti,72.0,"Invalid WP multiplicities - A4B8CD10E_hP72_180_8i_14k_b_5g15k_d:C-H-N-O-Ti, expected TiH56C16NO70 to be TiH8C4NO10" +mp-557562,TiH8C4NO10,-6.8762542808,-1.4697815982,0.078219409,0.078219409,GGA,P6_422,A4B8CD10E_hP72_181_2i_2k_b_g2k_d:C-H-N-O-Ti,72.0,"Invalid WP multiplicities - A4B8CD10E_hP72_181_9i_13k_b_5g15k_d:C-H-N-O-Ti, expected TiH52C18NO70 to be TiH8C4NO10" +mp-1205176,Ti2P3H7NO13,-7.1585493467,-2.2191869606,0.0143730565,0.0143730565,GGA,P2_13,A7BC13D3E2_cP104_198_a2b_a_a4b_b_2a:H-N-O-P-Ti,104.0,A7BC13D3E2_cP104_198_a2b_a_a4b_b_2a:H-N-O-P-Ti +mp-709069,Ti2P4H9C2NO16,-7.1377734307,-2.0224918496,0.0386362727,0.0386362727,GGA,P2_1/c,A2B9CD16E4F2_mP136_14_2e_9e_e_16e_4e_2e:C-H-N-O-P-Ti,136.0,A2B9CD16E4F2_mP136_14_2e_9e_e_16e_4e_2e:C-H-N-O-P-Ti +mp-1208388,TiC4NO10,-7.290147274,-0.8768012724,1.1076728482,1.1076728482,GGA,P6_222,A4BC10D_hP48_180_2i_b_g2k_d:C-N-O-Ti,48.0,A4BC10D_hP48_180_2i_b_g2k_d:C-N-O-Ti +mp-540955,LuH18C3S3(O2F)9,-5.7371416893,-1.6615825947,0.1460926328,0.1460926328,GGA,P6_3/m,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Lu-O-S,104.0,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-Lu-O-S +mp-1199761,Lu2H16S3O20,-6.100310737,-1.8400999666,0.0229470321,0.0229470321,GGA,C2/c,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Lu-O-S,82.0,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Lu-O-S +mp-1238443,Lu2H16S3O20,-5.790408288,-1.5301975177,0.332849481,0.332849481,GGA,C2/c,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Lu-O-S,82.0,A16B2C20D3_mC164_15_8f_f_10f_ef:H-Lu-O-S +mp-555850,LuSF,-6.7968341867,-3.2738744019,0.0104344889,0.0104344889,GGA,R-3m,ABC_hR18_166_c_ab_c:F-Lu-S,6.0,ABC_hR18_166_c_ab_c:F-Lu-S +mp-1190566,TlSO3F,-5.7677733658,-1.8926670134,0.0,-0.09057136,GGA,Pnma,AB3CD_oP24_62_c_cd_c_c:F-O-S-Tl,24.0,AB3CD_oP24_62_c_cd_c_c:F-O-S-Tl +mp-1198235,TlH6C3S3(O4F3)3,-5.7141058709,-1.614755261,0.193313669,0.193313669,GGA,C2/c,A3B9C6D12E3F_mC272_15_3f_9f_6f_12f_3f_f:C-F-H-O-S-Tl,136.0,A3B9C6D12E3F_mC272_15_3f_9f_6f_12f_3f_f:C-F-H-O-S-Tl +mp-24180,RbH6C2S2NO4,-5.6132315584,-0.8513333815,0.2752369161,0.2752369161,GGA,P2_1/c,A2B6CD4EF2_mP64_14_2e_6e_e_4e_e_2e:C-H-N-O-Rb-S,64.0,"Invalid WP multiplicities - A2B6CD4EF2_mP64_14_4e_6e_e_7e_e_2e:C-H-N-O-Rb-S, expected RbH6C4S2NO7 to be RbH6C2S2NO4" +mp-562114,V2CoH4C4(NO3)2,-7.4278826412,-1.0007869463,0.2776298412,0.2776298412,GGA+U,Pnna,A4BC4D2E6F2_oP76_52_2e_d_2e_e_cd2e_e:C-Co-H-N-O-V,76.0,"Invalid WP multiplicities - A4BC4D2E6F2_oP76_52_7e_d_11e_e_3c3d14e_e:C-Co-H-N-O-V, expected V2CoH22C14(NO17)2 to be V2CoH4C4(NO3)2" +mp-1217511,V4CoH12C2(N3O10)2,-6.3238328662,-0.7334611023000001,0.7713846092000001,0.7713846092000001,GGA+U,P-1,A2BC12D6E20F4_aP45_2_i_a_6i_3i_10i_2i:C-Co-H-N-O-V,45.0,"Invalid WP multiplicities - A2BC12D6E20F4_aP45_2_i_a_12i_5i_18i_4i:C-Co-H-N-O-V, expected V8CoH24C2(N5O18)2 to be V4CoH12C2(N3O10)2" +mp-1201666,V12CoH24C8(NO16)2,-6.9194979116,-1.2696628703,0.3714990209,0.3714990209,GGA+U,P-1,A8BC24D2E32F12_aP79_2_4i_a_12i_i_16i_6i:C-Co-H-N-O-V,79.0,A8BC24D2E32F12_aP79_2_4i_a_12i_i_16i_6i:C-Co-H-N-O-V +mp-1201407,V4CoH4C4(NO5)2,-7.7628002058,-1.3600247983,0.2288390824,0.2288390824,GGA+U,Cmcm,A4BC4D2E10F4_oC100_63_2f_c_2f_2c_g2h_h:C-Co-H-N-O-V,50.0,A4BC4D2E10F4_oC100_63_2f_c_2f_2c_g2h_h:C-Co-H-N-O-V +mp-699555,Cr2C13SN3(O2F)5,-7.4964802468,-0.8068048663,0.6024478443,0.6024478443,GGA+U,P-1,A13B2C5D3E10F_aP68_2_13i_2i_5i_3i_10i_i:C-Cr-F-N-O-S,68.0,"Invalid WP multiplicities - A13B2C5D3E10F_aP68_2_26i_4i_9i_4i_18i_i:C-Cr-F-N-O-S, expected Cr4C26SN4(O2F)9 to be Cr2C13SN3(O2F)5" +mp-1211962,KDyS2O9,-6.7134997025,-2.2127086316,0.1423124915,0.1423124915,GGA,P2_1/c,ABC9D2_mP52_14_e_e_9e_2e:Dy-K-O-S,52.0,ABC9D2_mP52_14_e_e_9e_2e:Dy-K-O-S +mp-1197688,KDyH2S2O9,-6.6155741927000005,-2.2625251252,0.0349039856,0.0349039856,GGA,P2_1/c,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Dy-H-K-O-S,60.0,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Dy-H-K-O-S +mp-1237296,KDyH2S2O9,-6.6488279587,-2.2957788912,0.0016502196,0.0016502196,GGA,P2_1/c,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Dy-H-K-O-S,60.0,AB2CD9E2_mP60_14_e_2e_e_9e_2e:Dy-H-K-O-S +mp-605166,KDyH2C2SO9,-7.1232864153,-2.1472478447,0.0352147385,0.0352147385,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Dy-H-K-O-S,64.0,"Invalid WP multiplicities - A2BC2DE9F_mP64_14_5e_e_6e_e_32e_e:C-Dy-H-K-O-S, expected KDyH6C5SO32 to be KDyH2C2SO9" +mp-1188352,AlV4N3,-9.1490401113,-1.0127045006,0.2012166927,0.2012166927,GGA,P6_3/mmc,AB3C4_hP16_194_c_af_ef:Al-N-V,16.0,AB3C4_hP16_194_c_af_ef:Al-N-V +mp-1189472,AlV4N3,-9.1660056113,-1.0296700006,0.1842511927,0.1842511927,GGA,P6_3/mmc,AB3C4_hP16_194_c_ae_2f:Al-N-V,16.0,AB3C4_hP16_194_c_ae_2f:Al-N-V +mp-1247742,AlVN2,-8.4667579781,-1.0911400406,0.3720689881,0.3720689881,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Al-N-V,16.0,AB2C_oP16_33_a_2a_a:Al-N-V +mp-735041,AlVP2CNO9,-7.8412564483,-2.1251600662,0.3812957281,0.3812957281,GGA+U,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:Al-C-N-O-P-V,30.0,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:Al-C-N-O-P-V +mp-1199918,V3P2C2(N3O7)2,-7.3803371907,-0.868919942,1.0010167902,1.0010167902,GGA+U,C2/c,A2B6C14D2E3_mC108_15_f_3f_7f_f_ef:C-N-O-P-V,54.0,A2B6C14D2E3_mC108_15_f_3f_7f_f_ef:C-N-O-P-V +mp-735184,AlVP2C2N2O9,-8.0343889866,-1.9575298013,0.2540488407,0.2540488407,GGA+U,P2_1/c,AB2C2D9E2F_mP68_14_e_2e_2e_9e_2e_e:Al-C-N-O-P-V,68.0,AB2C2D9E2F_mP68_14_e_2e_2e_9e_2e_e:Al-C-N-O-P-V +mp-695655,KGaBP2H3O10,-5.5579707369,-1.0418842369,1.3019151741,1.3019151741,GGA,P1,ABC3DE10F2_aP36_1_2a_2a_6a_2a_20a_4a:B-Ga-H-K-O-P,36.0,ABC3DE10F2_aP36_1_2a_2a_6a_2a_20a_4a:B-Ga-H-K-O-P +mp-561525,K2Ga2B2O7,-6.8576063,-2.5297144185,0.0,-0.0259849981,GGA,P321,A2B2C2D7_hP39_150_g_c2d_ef_ad3g:B-Ga-K-O,39.0,"Invalid WP multiplicities - A2B2C2D7_hP39_150_g_2c3d_2e3f_a2d15g:B-Ga-K-O, expected K15Ga10B6O95 to be K2Ga2B2O7" +mp-1196254,K2GaB5(H4O7)2,-6.6391280538,-2.1377512842,0.0161376705,0.0161376705,GGA,C222_1,A5BC8D2E14_oC120_20_a2c_b_4c_c_ab6c:B-Ga-H-K-O,60.0,A5BC8D2E14_oC120_20_a2c_b_4c_c_ab6c:B-Ga-H-K-O +mp-1225681,Dy(SN)3,-6.7377333514,-0.7340731778,0.1212543103,0.1212543103,GGA,Pm,AB3C3_mP7_6_a_3a_3b:Dy-N-S,7.0,AB3C3_mP7_6_a_3a_3b:Dy-N-S +mp-556247,Dy3S3N,-7.190021265,-2.2519919728,0.0,-0.0222659364,GGA,Pnma,A3BC3_oP28_62_3c_c_3c:Dy-N-S,28.0,"Invalid WP multiplicities - A3BC3_oP28_62_11c_c_9c:Dy-N-S, expected Dy11S9N to be Dy3S3N" +mp-1198602,DyH2C2SNO9,-6.9615882228,-1.5339186536,0.4606426158,0.4606426158,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Dy-H-N-O-S,64.0,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Dy-H-N-O-S +mp-707334,K7P6H2NO22,-6.7216112866,-2.4005137515,0.019262396,0.019262396,GGA,P1,A2B7CD22E6_aP38_1_2a_7a_a_22a_6a:H-K-N-O-P,38.0,A2B7CD22E6_aP38_1_2a_7a_a_22a_6a:H-K-N-O-P +mp-14565,K3P6N11,-7.186160207,-0.8105374042,0.0,-0.1685971252,GGA,P4_132,A3B11C6_cP80_213_ac_cde_e:K-N-P,80.0,"Invalid WP multiplicities - A3B11C6_cP80_213_ac_c2d2e_e:K-N-P, expected K3(P3N10)2 to be K3P6N11" +mp-1223550,KP4N3O16,-5.9748893733,-0.6865513263,1.1776853246,1.1776853246,GGA,P-4,AB3C16D4_tP24_81_a_dg_4h_bcg:K-N-O-P,24.0,"Invalid WP multiplicities - AB3C16D4_tP24_81_a_dg_16h_bcg:K-N-O-P, expected KP4N3O64 to be KP4N3O16" +mp-1223360,KP2NO8,-6.1424425292,-1.1551918146,0.8627785627000001,0.8627785627000001,GGA,I-4,ABC8D2_tI24_82_a_c_2g_bd:K-N-O-P,12.0,"Invalid WP multiplicities - ABC8D2_tI24_82_a_c_8g_bd:K-N-O-P, expected KP2NO32 to be KP2NO8" +mp-1196851,K4TmP8(N4O17)2,-6.2262831537,-1.0062244838,1.0421912253,1.0421912253,GGA,C2/c,A4B8C34D8E_mC220_15_cef_4f_17f_4f_e:K-N-O-P-Tm,110.0,A4B8C34D8E_mC220_15_aef_4f_17f_4f_e:K-N-O-P-Tm +mp-696528,KPH3NO3,-6.1508506847,-1.719912835,0.0,-0.0146304214,GGA,P2_1/c,A3BCD3E_mP36_14_3e_e_e_3e_e:H-K-N-O-P,36.0,A3BCD3E_mP36_14_3e_e_e_3e_e:H-K-N-O-P +mp-706676,KPH3NO3,-6.0800278551,-1.6490900054000002,0.0708228296,0.0561924082,GGA,P2_1/c,A3BCD3E_mP72_14_6e_2e_2e_6e_2e:H-K-N-O-P,72.0,A3BCD3E_mP72_14_6e_2e_2e_6e_2e:H-K-N-O-P +mp-505495,KP4N7,-7.4577142065,-0.6977914191,0.0,-0.0148807778,GGA,Pnma,AB7C4_oP48_62_c_c3d_2d:K-N-P,48.0,AB7C4_oP48_62_c_c3d_2d:K-N-P +mp-1180955,K4P3NO13,-6.0444641417,-1.6004188331,0.6616364180000001,0.6616364180000001,GGA,P-1,A4BC13D3_aP42_2_4i_i_13i_3i:K-N-O-P,42.0,A4BC13D3_aP42_2_4i_i_13i_3i:K-N-O-P +mp-23942,KPHNO2,-6.5291754356,-1.8381254612,0.0,-0.0279936685,GGA,R-3,ABCD2E_hR108_148_f_f_f_2f_f:H-K-N-O-P,36.0,ABCD2E_hR108_148_f_f_f_2f_f:H-K-N-O-P +mp-1212649,K4TmP8H18(NO2)8,-5.0046533587,-0.2931642886,1.3231523793,1.3231523793,GGA,C2/c,A18B4C8D16E8F_mC220_15_9f_cef_4f_8f_4f_e:H-K-N-O-P-Tm,110.0,A18B4C8D16E8F_mC220_15_9f_aef_4f_8f_4f_e:H-K-N-O-P-Tm +mp-1224262,K2P3NO12,-6.2351700983,-1.448644272,0.6463404206000001,0.6463404206000001,GGA,I-42d,A2BC12D3_tI72_122_c_a_3e_bc:K-N-O-P,36.0,"Invalid WP multiplicities - A2BC12D3_tI72_122_c_a_21e_b2c:K-N-O-P, expected K2P5NO84 to be K2P3NO12" +mp-1191775,BAsH4NO4F,-6.1920857983,-1.6134072072,0.0459720891,0.0459720891,GGA,Cc,ABCD4EF4_mC48_9_a_a_a_4a_a_4a:As-B-F-H-N-O,24.0,ABCD4EF4_mC48_9_a_a_a_4a_a_4a:As-B-F-H-N-O +mp-734296,K5Au5C10I2(N5O)2,-4.7432384538,1.4453826942,2.0149220928,2.0149220928,GGA,P-1,A5B10C2D5E10F2_aP34_2_acdi_5i_i_b2i_5i_i:Au-C-I-K-N-O,34.0,A5B10C2D5E10F2_aP34_2_acdi_5i_i_b2i_5i_i:Au-C-I-K-N-O +mp-1211983,K2MoH(OF2)2,-5.6128413362,-2.2129946021,0.2875214101,0.2875214101,GGA+U,P2_1/c,A4BC2DE2_mP40_14_4e_e_2e_e_2e:F-H-K-Mo-O,40.0,A4BC2DE2_mP40_14_4e_e_2e_e_2e:F-H-K-Mo-O +mp-1196293,K5Mo3H2S4O2F11,-5.4367089057,-2.0167147321,0.3543388636,0.3543388636,GGA+U,Cmc2_1,A11B2C5D3E2F4_oC108_36_a5b_b_a2b_ab_b_2ab:F-H-K-Mo-O-S,54.0,A11B2C5D3E2F4_oC108_36_a5b_b_a2b_ab_b_2ab:F-H-K-Mo-O-S +mp-1212078,K2MoHO3F4,-5.4209926468,-1.8805239148,0.4367857875,0.4367857875,GGA+U,P2_1/c,A4BC2DE3_mP44_14_4e_e_2e_e_3e:F-H-K-Mo-O,44.0,A4BC2DE3_mP44_14_4e_e_2e_e_3e:F-H-K-Mo-O +mp-744317,K2MoH2S2O9,-6.3629477967,-1.8226354074,0.1241464365,0.1241464365,GGA+U,C2/c,A2B2CD9E2_mC128_15_2f_2ef_f_9f_2f:H-K-Mo-O-S,64.0,A2B2CD9E2_mC128_15_2f_2ef_f_9f_2f:H-K-Mo-O-S +mp-1203753,K4Mo2H6S2O9,-5.9713309665,-1.6547070355,0.0642292196,0.0642292196,GGA+U,C2/c,A6B4C2D9E2_mC92_15_3f_2f_f_e4f_f:H-K-Mo-O-S,46.0,A6B4C2D9E2_mC92_15_3f_2f_f_e4f_f:H-K-Mo-O-S +mp-1205247,MoSF4,-5.8892026098,-2.1178666353,0.1439036925,0.1439036925,GGA+U,Pca2_1,A4BC_oP144_29_24a_6a_6a:F-Mo-S,144.0,A4BC_oP144_29_24a_6a_6a:F-Mo-S +mp-1211865,K2MoHOF5,-5.45887779,-2.3625520302,0.2479336404,0.2479336404,GGA+U,C2,A5BC2DE_mC40_5_5c_2a_2bc_c_c:F-H-K-Mo-O,20.0,A5BC2DE_mC40_5_5c_2a_2bc_c_c:F-H-K-Mo-O +mp-1189247,K3MoHS4O,-5.089267261,-1.1830611435,0.1476615016,0.1476615016,GGA+U,Pmn2_1,AB3CDE4_oP20_31_a_ab_a_a_2ab:H-K-Mo-O-S,20.0,AB3CDE4_oP20_31_a_ab_a_a_2ab:H-K-Mo-O-S +mp-744188,K3Mo4H6O16F,-6.803399667,-1.8657779371,0.0325081711,0.0325081711,GGA+U,P-1,AB6C3D4E16_aP60_2_i_6i_3i_4i_16i:F-H-K-Mo-O,60.0,AB6C3D4E16_aP60_2_i_6i_3i_4i_16i:F-H-K-Mo-O +mp-556589,GaH20C2S2NO14,-5.5967187548,-1.2166441417,0.0887623702,0.0887623702,GGA,P2_1,A2BC20DE14F2_mP80_4_2a_a_20a_a_14a_2a:C-Ga-H-N-O-S,80.0,"Invalid WP multiplicities - A2BC20DE14F2_mP80_4_3a_a_39a_a_27a_4a:C-Ga-H-N-O-S, expected GaH39C3S4NO27 to be GaH20C2S2NO14" +mp-554951,GaH20C2S2NO14,-5.6007875853,-1.2207129722,0.0846935397,0.0846935397,GGA,Pc,A2BC20DE14F2_mP80_7_2a_a_20a_a_14a_2a:C-Ga-H-N-O-S,80.0,"Invalid WP multiplicities - A2BC20DE14F2_mP80_7_2a_a_40a_a_27a_3a:C-Ga-H-N-O-S, expected GaH40C2S3NO27 to be GaH20C2S2NO14" +mp-766588,Li12V3CoP4(CO7)4,-7.286542945,-2.3953455158,0.0664702283,0.0664702283,GGA+U,Pm,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Co-Li-O-P-V,52.0,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Co-Li-O-P-V +mp-757109,Li6VCoP2(CO7)2,-7.2181124858,-2.3649071388,0.0559971551,0.0559971551,GGA+U,Pm,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Co-Li-O-P-V,52.0,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Co-Li-O-P-V +mp-766565,Li12VCo3P4(CO7)4,-7.1391920646,-2.3239787999,0.0554281116,0.0554281116,GGA+U,Pm,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Co-Li-O-P-V,52.0,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Co-Li-O-P-V +mp-1179346,TeC4S4(N2F)4,-5.9244101869,0.3109061274,0.9818105461,0.9818105461,GGA,C2/c,A4B4C8D4E_mC84_15_2f_2f_4f_2f_c:C-F-N-S-Te,42.0,A4B4C8D4E_mC84_15_2f_2f_4f_2f_c:C-F-N-S-Te +mp-1194984,Te2C4S3(O2F3)3,-5.6882375750000005,-1.4176514778,0.4432238954,0.4432238954,GGA,P2_1/c,A4B9C6D3E2_mP96_14_4e_9e_6e_3e_2e:C-F-O-S-Te,96.0,A4B9C6D3E2_mP96_14_4e_9e_6e_3e_2e:C-F-O-S-Te +mp-1194943,Te3C2S2(OF)6,-5.5749018134,-1.5059989465,0.3103800544,0.3103800544,GGA,C2,A2B6C6D2E3_mC76_5_2c_6c_6c_2c_3c:C-F-O-S-Te,38.0,A2B6C6D2E3_mC76_5_2c_6c_6c_2c_3c:C-F-O-S-Te +mp-773453,K2FePCO7,-7.2517721562,-2.2551381494,0.0,-0.0040095323,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Fe-K-O-P,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Fe-K-O-P, expected K2FePCO13 to be K2FePCO7" +mp-769579,KFePCO7,-7.4495646059,-2.0996365027,0.0220722938,0.0220722938,GGA+U,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Fe-K-O-P,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Fe-K-O-P, expected KFePCO13 to be KFePCO7" +mp-1575580,K3FePCO7,-6.9889744388,-2.2912815905,0.0019295273,0.0019295273,GGA+U,P-1,ABC3D7E_aP52_2_2i_2i_6i_14i_2i:C-Fe-K-O-P,52.0,"Invalid WP multiplicities - ABC3D7E_aP52_2_4i_2i_12i_28i_4i:C-Fe-K-O-P, expected K6FeP2(CO7)2 to be K3FePCO7" +mp-755476,K3FePCO7,-6.9875822635,-2.2898894151,0.0033217027,0.0033217027,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-K-O-P,52.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Fe-K-O-P +mp-604071,K2FePH5(CO5)2,-6.5345800835,-1.7254386581,0.1262879921,0.1262879921,GGA+U,Pbca,A2BC5D2E10F_oP168_61_2c_c_5c_2c_10c_c:C-Fe-H-K-O-P,168.0,"Invalid WP multiplicities - A2BC5D2E10F_oP168_61_7c_c_30c_7c_75c_c:C-Fe-H-K-O-P, expected K7FePH30C7O75 to be K2FePH5(CO5)2" +mp-559235,BH11C4NClF4,-5.4322946027,-0.9438860713,0.1133172902,0.1133172902,GGA,P2_1/m,AB4CD4E11F_mP44_11_e_2ef_e_2ef_e5f_e:B-C-Cl-F-H-N,44.0,"Invalid WP multiplicities - AB4CD4E11F_mP44_11_e_3e3f_e_3e2f_2e16f_e:B-C-Cl-F-H-N, expected BH34C9NClF7 to be BH11C4NClF4" +mp-1214900,BC12ClF10,-6.7212593922,-0.9551467249,0.3928670882,0.3928670882,GGA,P2_1/c,AB12CD10_mP96_14_e_12e_e_10e:B-C-Cl-F,96.0,AB12CD10_mP96_14_e_12e_e_10e:B-C-Cl-F +mp-1212621,H2C3NClOF4,-6.0191495958,-1.2483925347,0.1160562178,0.1160562178,GGA,P2_1/c,A3BC4D2EF_mP48_14_3e_e_4e_2e_e_e:C-Cl-F-H-N-O,48.0,A3BC4D2EF_mP48_14_3e_e_4e_2e_e_e:C-Cl-F-H-N-O +mp-1200586,UH12N5F4,-5.634131361,-1.0281080408,0.2333705999999999,0.2333705999999999,GGA,P4/ncc,A4B12C5D_tP88_130_g_3g_cg_a:F-H-N-U,88.0,A4B12C5D_tP88_130_g_3g_cg_a:F-H-N-U +mp-1204210,UH18N5F7,-5.484709581,-1.3742803482,0.0011481096,0.0011481096,GGA,P2_1/c,A7B18C5D_mP124_14_7e_18e_5e_e:F-H-N-U,124.0,A7B18C5D_mP124_14_7e_18e_5e_e:F-H-N-U +mp-1195463,USi6H54C18N3F,-5.3828874762,-0.3215926904,0.0551786348,0.0551786348,GGA,P2_1/c,A18BC54D3E6F_mP332_14_18e_e_54e_3e_6e_e:C-F-H-N-Si-U,332.0,A18BC54D3E6F_mP332_14_18e_e_54e_3e_6e_e:C-F-H-N-Si-U +mp-1198154,B11H18C4S2NCl,-5.3557013809,-0.2228643113,0.1560794064,0.1560794064,GGA,P2_1/c,A11B4CD18EF2_mP296_14_22e_8e_2e_36e_2e_4e:B-C-Cl-H-N-S,296.0,A11B4CD18EF2_mP296_14_22e_8e_2e_36e_2e_4e:B-C-Cl-H-N-S +mp-1182547,CrH20N2O6F5,-4.9628194522,-1.0387581191,0.3798030465,0.3771109155,GGA+U,C2/c,AB5C20D2E6_mC136_15_a_e2f_10f_f_3f:Cr-F-H-N-O,68.0,AB5C20D2E6_mC136_15_c_e2f_10f_f_3f:Cr-F-H-N-O +mp-1197595,CrH20N2O6F5,-5.3424660663,-1.4184047332,0.0001564324,-0.0025356986,GGA+U,C2/c,AB5C20D2E6_mC136_15_a_e2f_10f_f_3f:Cr-F-H-N-O,68.0,AB5C20D2E6_mC136_15_c_e2f_10f_f_3f:Cr-F-H-N-O +mp-1203990,CrH20N2O6F5,-5.3426224987,-1.4185611656,0.0,-0.002692131,GGA+U,P-3c1,AB5C20D2E6_hP68_165_b_df_d3g_d_g:Cr-F-H-N-O,68.0,"Invalid WP multiplicities - AB5C20D2E6_hP68_165_b_df_d6g_d_g:Cr-F-H-N-O, expected CrH38N2O6F5 to be CrH20N2O6F5" +mp-1213766,CrH12(CF)8,-4.3610038448,0.4488897997,1.5402561293,1.5402561293,GGA+U,Fm-3m,A8BC8D12_cF116_225_ce_a_f_h:C-Cr-F-H,29.0,A8BC8D12_cF116_225_ce_a_f_h:C-Cr-F-H +mp-730887,CrH12N3(OF2)3,-5.37820751,-1.310840121,0.2023982842,0.2023982842,GGA+U,P-1,AB6C12D3E3_aP50_2_be_6i_12i_3i_3i:Cr-F-H-N-O,50.0,AB6C12D3E3_aP50_2_be_6i_12i_3i_3i:Cr-F-H-N-O +mp-1182011,CrH12N3(OF2)3,-5.4019430968,-1.3345757078,0.1786626974,0.1786626974,GGA+U,P-1,AB6C12D3E3_aP50_2_be_6i_12i_3i_3i:Cr-F-H-N-O,50.0,AB6C12D3E3_aP50_2_be_6i_12i_3i_3i:Cr-F-H-N-O +mp-1197579,CrHC7NO5F2,-7.552262945,-0.8146553933,0.5439488447,0.5439488447,GGA+U,P-1,A7BC2DEF5_aP34_2_7i_i_2i_i_i_5i:C-Cr-F-H-N-O,34.0,A7BC2DEF5_aP34_2_7i_i_2i_i_i_5i:C-Cr-F-H-N-O +mp-3048,U2SeN2,-10.277299576,-1.7269553065,0.0,-0.1648930893,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-Se-U,5.0,A2BC2_hP5_164_d_a_d:N-Se-U +mp-1203395,UH12C4Se(NO4)2,-6.2678590252,-0.9585306131,0.3197370268,0.3197370268,GGA,C2/m,A4B12C2D8EF_mC112_12_2ij_2i5j_2i_4i2j_i_i:C-H-N-O-Se-U,56.0,A4B12C2D8EF_mC112_12_2ij_2i5j_2i_4i2j_i_i:C-H-N-O-Se-U +mp-1203577,UC2Se2N2O11,-6.5536341908,-0.5632381006,1.2303842054,1.2303842054,GGA,P2_1/c,A2B2C11D2E_mP72_14_2e_2e_11e_2e_e:C-N-O-Se-U,72.0,A2B2C11D2E_mP72_14_2e_2e_11e_2e_e:C-N-O-Se-U +mp-1196277,UH4C2SeN4O7,-7.0653062608,-1.0238137697,0.4599952574,0.4599952574,GGA,P2_1/m,A2B4C4D7EF_mP38_11_f_2f_2f_3e2f_e_e:C-H-N-O-Se-U,38.0,A2B4C4D7EF_mP38_11_f_2f_2f_3e2f_e_e:C-H-N-O-Se-U +mp-1195839,H12C4Se(NO)2,-5.3564492979,-0.2283705712,0.3309333126,0.3309333126,GGA,C2/c,A4B12C2D2E_mC84_15_2f_6f_f_f_e:C-H-N-O-Se,42.0,A4B12C2D2E_mC84_15_2f_6f_f_f_e:C-H-N-O-Se +mp-1195410,U2H18C4Se3N2O17,-6.2420816688,-1.202495078,0.3227765154,0.3227765154,GGA,P2_12_12_1,A4B18C2D17E3F2_oP184_19_4a_18a_2a_17a_3a_2a:C-H-N-O-Se-U,184.0,A4B18C2D17E3F2_oP184_19_4a_18a_2a_17a_3a_2a:C-H-N-O-Se-U +mp-601383,H7CSeN3O4,-5.559207207,-0.4798385255,0.4843601464,0.4843601464,GGA,P2_1/c,AB7C3D4E_mP64_14_e_7e_3e_4e_e:C-H-N-O-Se,64.0,"Invalid WP multiplicities - AB7C3D4E_mP64_14_e_27e_9e_12e_e:C-H-N-O-Se, expected H27CSe(N3O4)3 to be H7CSeN3O4" +mp-1200356,H7CSeN3O4,-5.8470116381,-0.7676429566,0.1965557153,0.1965557153,GGA,P2_1/c,AB7C3D4E_mP64_14_e_7e_3e_4e_e:C-H-N-O-Se,64.0,AB7C3D4E_mP64_14_e_7e_3e_4e_e:C-H-N-O-Se +mp-1199440,U2H12C2Se3(N3O8)2,-6.7232724015,-1.3231117452,0.2038176263,0.2038176263,GGA,P2,A2B12C6D16E3F2_mP82_3_abcd_12e_abcd4e_16e_ad2e_2e:C-H-N-O-Se-U,82.0,A2B12C6D16E3F2_mP82_3_abcd_12e_abcd4e_16e_ac2e_2e:C-H-N-O-Se-U +mp-1203047,UH6C2SeN3O7,-7.0572754625,-1.3954097377,0.0921531827,0.0921531827,GGA,P-1,A2B6C3D7EF_aP40_2_2i_6i_3i_7i_i_i:C-H-N-O-Se-U,40.0,A2B6C3D7EF_aP40_2_2i_6i_3i_7i_i_i:C-H-N-O-Se-U +mp-1203601,USe2NO8,-6.7619804165,-1.2458772848,0.6452752552000001,0.6452752552000001,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:N-O-Se-U,48.0,AB8C2D_mP48_14_e_8e_2e_e:N-O-Se-U +mp-677203,H24C8Se(NO2)2,-5.3480635851,-0.3426685802,0.2209594884,0.2209594884,GGA,P1,A8B24C2D4E_aP78_1_16a_48a_4a_8a_2a:C-H-N-O-Se,78.0,A8B24C2D4E_aP78_1_16a_48a_4a_8a_2a:C-H-N-O-Se +mp-1203533,UH6C3SeN2O7,-7.0508557634,-1.3443815102,0.1445620979,0.1445620979,GGA,P2_1/c,A3B6C2D7EF_mP80_14_3e_6e_2e_7e_e_e:C-H-N-O-Se-U,80.0,A3B6C2D7EF_mP80_14_3e_6e_2e_7e_e_e:C-H-N-O-Se-U +mp-1205231,UC2Se2(NO6)2,-6.3415096679000005,-0.406045545,1.3474225639,1.3474225639,GGA,Pnma,A2B2C12D2E_oP76_62_d_d_4c4d_d_c:C-N-O-Se-U,76.0,A2B2C12D2E_oP76_62_d_d_4c4d_d_c:C-N-O-Se-U +mp-1195161,UH18C4Se2N2O11,-5.890446329,-0.9600902917,0.2854355004,0.2854355004,GGA,P2_12_12_1,A4B18C2D11E2F_oP152_19_4a_18a_2a_11a_2a_a:C-H-N-O-Se-U,152.0,A4B18C2D11E2F_oP152_19_4a_18a_2a_11a_2a_a:C-H-N-O-Se-U +mp-1196281,UH16C6Se(NO2)4,-6.3572608276,-0.8749713678000001,0.1963619592,0.1963619592,GGA,P2_1/c,A6B16C4D8EF_mP144_14_6e_16e_4e_8e_e_e:C-H-N-O-Se-U,144.0,A6B16C4D8EF_mP144_14_6e_16e_4e_8e_e_e:C-H-N-O-Se-U +mp-1208798,UH10CSe2(NO2)4,-6.3975924725,-1.2299521534,0.0943649803,0.0943649803,GGA,P-1,AB10C4D8E2F_aP52_2_i_10i_4i_8i_2i_i:C-H-N-O-Se-U,52.0,AB10C4D8E2F_aP52_2_i_10i_4i_8i_2i_i:C-H-N-O-Se-U +mp-1214883,AlS2NO8,-6.41801498,-1.4239749651,0.5367211737,0.5367211737,GGA,P321,ABC8D2_hP12_150_a_b_dg_d:Al-N-O-S,12.0,ABC8D2_hP12_150_a_b_dg_d:Al-N-O-S +mp-708992,AlH20C2S2NO14,-5.6981957735,-1.3001841652,0.0801724933,0.0801724933,GGA,Pc,AB2C20DE14F2_mP80_7_a_2a_20a_a_14a_2a:Al-C-H-N-O-S,80.0,AB2C20DE14F2_mP80_7_a_2a_20a_a_14a_2a:Al-C-H-N-O-S +mp-1229242,AlH16C2S2NO14,-5.7738641964,-1.2641541922,0.1919193845,0.1919193845,GGA,Pc,AB2C16DE14F2_mP72_7_a_2a_16a_a_14a_2a:Al-C-H-N-O-S,72.0,"Invalid WP multiplicities - AB2C16DE14F2_mP72_7_a_3a_24a_a_21a_3a:Al-C-H-N-O-S, expected AlH24C3S3NO21 to be AlH16C2S2NO14" +mp-1229335,AlH16C2S2NO14,-5.8208980907,-1.3111880865,0.1448854902,0.1448854902,GGA,Pc,AB2C16DE14F2_mP72_7_a_2a_16a_a_14a_2a:Al-C-H-N-O-S,72.0,AB2C16DE14F2_mP72_7_a_2a_16a_a_14a_2a:Al-C-H-N-O-S +mp-1238525,AlS2NO20,-5.2585141211,-0.2881497581,0.7677427341,0.7677427341,GGA,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Al-N-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Al-N-O-S +mp-721813,AlH18CS2N3O14,-5.8914816932,-1.3638063958,0.0177919878,0.0177919878,GGA,P31m,ABC18D3E14F2_hP117_157_ab_ab_9d_cd_6c4d_2c:Al-C-H-N-O-S,117.0,ABC18D3E14F2_hP117_157_ab_ab_9d_cd_6c4d_2c:Al-C-H-N-O-S +mp-1200046,Li3V2BP4H2O17,-7.5284105514,-2.5937090783,0.0065741236,0.0065741236,GGA+U,P2_1/c,AB2C3D17E4F2_mP116_14_e_2e_3e_17e_4e_2e:B-H-Li-O-P-V,116.0,AB2C3D17E4F2_mP116_14_e_2e_3e_17e_4e_2e:B-H-Li-O-P-V +mp-768575,Li3VBPO7,-7.388753345,-2.6556618122,0.0881907158,0.0881907158,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Li-O-P-V,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:B-Li-O-P-V, expected Li4VBPO13 to be Li3VBPO7" +mp-771701,Li2VBPO7,-7.5870133246,-2.618574403,0.0914175841,0.0914175841,GGA+U,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Li-O-P-V,48.0,AB2C7DE_mP24_11_e_f_5ef_e_e:B-Li-O-P-V +mp-1203215,K2Mn(BH4)4,-4.3394372164,-0.3227416951,0.015849089,0.015849089,GGA,P2_1/c,A4B16C2D_mP92_14_4e_16e_2e_e:B-H-K-Mn,92.0,A4B16C2D_mP92_14_4e_16e_2e_e:B-H-K-Mn +mp-1197780,KMnBP2H2O9,-7.379986065,-2.4372322203,0.0,-0.0050384053,GGA+U,P2_1/c,AB2CDE9F2_mP64_14_e_2e_e_e_9e_2e:B-H-K-Mn-O-P,64.0,AB2CDE9F2_mP64_14_e_2e_e_e_9e_2e:B-H-K-Mn-O-P +mp-1226339,K5Mn2B2P5O21,-7.439817859,-2.634624021,0.0,-0.0097081599,GGA+U,Pc,A2B5C2D21E5_mP140_7_4a_10a_4a_42a_10a:B-K-Mn-O-P,140.0,A2B5C2D21E5_mP140_7_4a_10a_4a_42a_10a:B-K-Mn-O-P +mp-1197191,MnPH4N(OF)3,-6.3243140988,-1.9352971804,0.0320043333,0.0320043333,GGA+U,P2_1/c,A3B4CDE3F_mP52_14_3e_4e_ad_e_3e_e:F-H-Mn-N-O-P,52.0,A3B4CDE3F_mP52_14_3e_4e_ad_e_3e_e:F-H-Mn-N-O-P +mp-773133,K3CuB2P4H3O17,-6.9699578504,-2.4128150736,0.0,-0.0050133794,GGA,P2_1/c,A2BC3D3E17F4_mP120_14_2e_e_3e_3e_17e_4e:B-Cu-H-K-O-P,120.0,"Invalid WP multiplicities - A2BC3D3E17F4_mP120_14_3e_e_11e_7e_65e_15e:B-Cu-H-K-O-P, expected K7CuB3P15H11O65 to be K3CuB2P4H3O17" +mp-1199109,KCuB7O13,-7.5280342243,-2.2429296216,0.2894787636,0.2894787636,GGA,Pnnm,A7BCD13_oP88_58_g3h_e_g_e2g5h:B-Cu-K-O,88.0,A7BCD13_oP88_58_g3h_e_g_e2g5h:B-Cu-K-O +mp-849783,TeH14C3S3(N3F2)2,-5.5132307231,-0.7260790450000001,0.098121765,0.098121765,GGA,P2_1/c,A3B4C14D6E3F_mP124_14_3e_4e_14e_6e_3e_e:C-F-H-N-S-Te,124.0,"Invalid WP multiplicities - A3B4C14D6E3F_mP124_14_5e_11e_55e_23e_5e_e:C-F-H-N-S-Te, expected TeH55C5S5N23F11 to be TeH14C3S3(N3F2)2" +mp-1201486,SnH12C6(NO2)2,-6.0659264321,-0.6037655503,0.1248853885,0.1248853885,GGA,C2/c,A6B12C2D4E_mC200_15_6f_12f_2f_4f_f:C-H-N-O-Sn,100.0,A6B12C2D4E_mC200_15_6f_12f_2f_4f_f:C-H-N-O-Sn +mp-1198359,SnH18W3C4(NO2)6,-6.5784007566,-0.8909705882000001,0.2321864538,0.2321864538,GGA+U,C2/c,A4B18C6D12EF3_mC352_15_4f_18f_6f_12f_f_3f:C-H-N-O-Sn-W,176.0,A4B18C6D12EF3_mC352_15_4f_18f_6f_12f_f_3f:C-H-N-O-Sn-W +mp-1203996,Sn2H10C8N2O13,-6.6361033334,-1.0145127278,0.2363033372,0.2363033372,GGA,P2/c,A8B10C2D13E2_mP70_13_4g_5g_g_e6g_g:C-H-N-O-Sn,70.0,A8B10C2D13E2_mP70_13_4g_5g_g_e6g_g:C-H-N-O-Sn +mp-601190,H7WC7NO5,-6.9074509339,-0.5085076257,0.388307507,0.388307507,GGA+U,P2_1/c,A7B7CD5E_mP84_14_7e_7e_e_5e_e:C-H-N-O-W,84.0,"Invalid WP multiplicities - A7B7CD5E_mP84_14_26e_23e_e_18e_e:C-H-N-O-W, expected H23WC26NO18 to be H7WC7NO5" +mp-985670,SnH16C4(NO4)3,-6.0834257049,-1.0951590423,0.1359209479,0.1359209479,GGA,P2_12_12_1,A4B16C3D12E_oP144_19_4a_16a_3a_12a_a:C-H-N-O-Sn,144.0,A4B16C3D12E_oP144_19_4a_16a_3a_12a_a:C-H-N-O-Sn +mp-1016213,Sn3H8C2NO7,-5.655436455,-0.8653807020000001,0.3624360972,0.3624360972,GGA,P2_1,A2B8CD7E3_mP42_4_2a_8a_a_7a_3a:C-H-N-O-Sn,42.0,"Invalid WP multiplicities - A2B8CD7E3_mP42_4_2a_13a_a_13a_6a:C-H-N-O-Sn, expected Sn6H13C2NO13 to be Sn3H8C2NO7" +mp-1016212,Sn3H6CNO7,-5.7461406514,-1.0474154719,0.34143392,0.34143392,GGA,P2_1/c,AB6CD7E3_mP72_14_e_6e_e_7e_3e:C-H-N-O-Sn,72.0,"Invalid WP multiplicities - AB6CD7E3_mP72_14_e_22e_e_24e_8e:C-H-N-O-Sn, expected Sn8H22CNO24 to be Sn3H6CNO7" +mp-1224650,HW2C9NO10,-8.0866052461,-0.6878940298,0.5867333402,0.5867333402,GGA+U,P-1,A9BCD10E2_aP46_2_9i_i_i_10i_2i:C-H-N-O-W,46.0,A9BCD10E2_aP46_2_9i_i_i_10i_2i:C-H-N-O-W +mp-1224668,HW2C9NO10,-8.0676927517,-0.6689815354,0.6056458346,0.6056458346,GGA+U,C2,A9BCD10E2_mC92_5_9c_ab_c_10c_2c:C-H-N-O-W,46.0,A9BCD10E2_mC92_5_9c_ab_c_10c_2c:C-H-N-O-W +mp-728878,BRu6(CO)17,-8.2844120386,-0.8866845148,0.2878897688,0.2878897688,GGA,P2_12_12_1,AB17C17D6_oP164_19_a_17a_17a_6a:B-C-O-Ru,164.0,AB17C17D6_oP164_19_a_17a_17a_6a:B-C-O-Ru +mp-699265,BH6Ru3C6O19F4,-6.5343094204,-1.101900446,0.6454879758000001,0.6454879758000001,GGA,Pmn2_1,AB6C4D6E19F3_oP78_31_a_2a2b_2ab_2a2b_3a8b_ab:B-C-F-H-O-Ru,78.0,AB6C4D6E19F3_oP78_31_a_2a2b_2ab_2a2b_3a8b_ab:B-C-F-H-O-Ru +mp-2646917,NaB9H10C,-5.2673542421,-0.2867362815,0.0444443514,0.0444443514,GGA,Pna2_1,A9BC10D_oP84_33_9a_a_10a_a:B-C-H-Na,84.0,A9BC10D_oP84_33_9a_a_10a_a:B-C-H-Na +mp-2646947,NaB11H12C,-5.2416243374,-0.2521358252,0.0589105643,0.0589105643,GGA,Pca2_1,A11BC12D_oP100_29_11a_a_12a_a:B-C-H-Na,100.0,A11BC12D_oP100_29_11a_a_12a_a:B-C-H-Na +mp-1195917,NaB7H14C2(NO7)2,-6.7013048146,-1.7022949368,0.0420810146,0.0420810146,GGA,P-1,A7B2C14D2EF14_aP80_2_7i_2i_14i_2i_i_14i:B-C-H-N-Na-O,80.0,A7B2C14D2EF14_aP80_2_7i_2i_14i_2i_i_14i:B-C-H-N-Na-O +mp-1201362,NaB6NO10,-7.7587557733,-2.2475192202,0.3514483511,0.3514483511,GGA,Pa-3,A6BCD10_cP144_205_2d_ab_c_c3d:B-N-Na-O,144.0,A6BCD10_cP144_205_2d_ab_c_c3d:B-N-Na-O +mp-1195859,NaBH34(C3N)4,-5.3082533061,-0.1650885329,0.1561965774,0.1561965774,GGA,P6_3,AB12C34D4E_hP104_173_b_4c_b11c_bc_b:B-C-H-N-Na,104.0,AB12C34D4E_hP104_173_b_4c_b11c_bc_b:B-C-H-N-Na +mp-571433,NaB(CN)4,-7.949822379,-0.1235665056,0.37098315,0.37098315,GGA,Fd-3m,AB4C4D_cF80_227_a_e_e_b:B-C-N-Na,20.0,AB4C4D_cF80_227_a_e_e_b:B-C-N-Na +mp-558548,Na3B6NO13,-7.5595203195,-2.4861562031,0.0,-0.0072505587,GGA,Pnma,A6BC3D13_oP92_62_2c2d_c_abc_3c5d:B-N-Na-O,92.0,"Invalid WP multiplicities - A6BC3D13_oP92_62_8c8d_c_2a2b4c_12c34d:B-N-Na-O, expected Na8B24NO80 to be Na3B6NO13" +mp-1203260,KH2SNO3,-5.8611553447,-1.4600475994,0.0532665918,0.0532665918,GGA,Pbcm,A2BCD3E_oP32_57_e_c_d_de_d:H-K-N-O-S,32.0,A2BCD3E_oP32_57_e_c_d_de_d:H-K-N-O-S +mp-720529,KH28S4N7O16,-4.8364905454,-0.369436768,0.7935387477,0.7935387477,GGA,P1,A28BC7D16E4_aP56_1_28a_a_7a_16a_4a:H-K-N-O-S,56.0,A28BC7D16E4_aP56_1_28a_a_7a_16a_4a:H-K-N-O-S +mp-733624,K3H2S2NO7,-5.1408432553,-1.0506522841,0.8198009390000001,0.8198009390000001,GGA,P-1,A2B3CD7E2_aP30_2_2i_3i_i_7i_2i:H-K-N-O-S,30.0,A2B3CD7E2_aP30_2_2i_3i_i_7i_2i:H-K-N-O-S +mp-720710,K3H2S2NO7,-5.875265284,-1.7850743128,0.0853789103,0.0853789103,GGA,P-1,A2B3CD7E2_aP30_2_2i_3i_i_7i_2i:H-K-N-O-S,30.0,A2B3CD7E2_aP30_2_2i_3i_i_7i_2i:H-K-N-O-S +mp-1204851,K2HS2NO7,-6.0992953729,-1.7262384824,0.1311030535,0.1311030535,GGA,P2_1/c,AB2CD7E2_mP52_14_e_2e_e_7e_2e:H-K-N-O-S,52.0,AB2CD7E2_mP52_14_e_2e_e_7e_2e:H-K-N-O-S +mp-720810,K5H3S4N2O15,-5.9361295202,-1.6896021804,0.1929867729,0.1929867729,GGA,P-1,A3B5C2D15E4_aP174_2_9i_15i_6i_45i_12i:H-K-N-O-S,174.0,A3B5C2D15E4_aP174_2_9i_15i_6i_45i_12i:H-K-N-O-S +mp-706366,K6H6S6N2O23,-5.9790430033,-1.7398737158,0.110279163,0.110279163,GGA,C2/c,A6B6C2D23E6_mC172_15_3f_3f_f_e11f_3f:H-K-N-O-S,86.0,A6B6C2D23E6_mC172_15_3f_3f_f_e11f_3f:H-K-N-O-S +mp-709186,K4LiH3(SO4)4,-6.0540154827,-2.0461042099,0.0,-0.0105149916,GGA,P4_1,A3B4CD16E4_tP112_76_3a_4a_a_16a_4a:H-K-Li-O-S,112.0,A3B4CD16E4_tP112_76_3a_4a_a_16a_4a:H-K-Li-O-S +mp-1196827,K4LiH3(SO4)4,-6.0264607409,-2.0185494681,0.0275547418,0.0170397502,GGA,P4_1,A3B4CD16E4_tP112_76_3a_4a_a_16a_4a:H-K-Li-O-S,112.0,A3B4CD16E4_tP112_76_3a_4a_a_16a_4a:H-K-Li-O-S +mp-679406,K2HS2NO6,-6.0604810583,-1.7352268196,0.0774897334,0.0774897334,GGA,Pc,AB2CD6E2_mP24_7_a_2a_a_6a_2a:H-K-N-O-S,24.0,"Invalid WP multiplicities - AB2CD6E2_mP24_7_a_4a_a_12a_4a:H-K-N-O-S, expected K4HS4NO12 to be K2HS2NO6" +mp-1223877,K2HS2NO6,-6.0697294529,-1.7444752141,0.0682413388,0.0682413388,GGA,Pc,AB2CD6E2_mP24_7_a_2a_a_6a_2a:H-K-N-O-S,24.0,"Invalid WP multiplicities - AB2CD6E2_mP24_7_a_3a_a_9a_3a:H-K-N-O-S, expected K3HS3NO9 to be K2HS2NO6" +mp-695383,K2HS2NO6,-6.1041222758,-1.7788680371,0.0338485159,0.0338485159,GGA,Cc,AB2CD6E2_mC48_9_a_2a_a_6a_2a:H-K-N-O-S,24.0,"Invalid WP multiplicities - AB2CD6E2_mC48_9_a_4a_a_12a_4a:H-K-N-O-S, expected K4HS4NO12 to be K2HS2NO6" +mp-706912,K2HS2NO6,-6.0986338846,-1.7733796458,0.0393369071,0.0393369071,GGA,C2/c,AB2CD6E2_mC48_15_e_f_e_3f_f:H-K-N-O-S,24.0,AB2CD6E2_mC48_15_e_f_e_3f_f:H-K-N-O-S +mp-699460,KLiH4S2(NO3)2,-5.9131223044,-1.4621068141,0.0634498006,0.0634498006,GGA,P2_1,A4BCD2E6F2_mP32_4_4a_a_a_2a_6a_2a:H-K-Li-N-O-S,32.0,A4BCD2E6F2_mP32_4_4a_a_a_2a_6a_2a:H-K-Li-N-O-S +mp-1198663,K2Li(H2N)3,-4.6200024152,-0.4953722647,0.0,-0.0078064585,GGA,P4_2/m,A6B2CD3_tP48_84_3k_afi_j_jk:H-K-Li-N,48.0,A6B2CD3_tP48_84_3k_afi_j_jk:H-K-Li-N +mp-707956,KLi7(H2N)8,-4.7852301485,-0.5524665506,0.0215795446,0.0215795446,GGA,I4_1/a,A16BC7D8_tI256_88_8f_c_5ef_4f:H-K-Li-N,128.0,A16BC7D8_tI256_88_8f_c_5ef_4f:H-K-Li-N +mp-554037,KU2H5C4O15,-7.7439075304,-2.1227282033,0.0487789449,0.0487789449,GGA,P2_1/m,A4B5CD15E2_mP54_11_2f_e2f_e_3e6f_f:C-H-K-O-U,54.0,"Invalid WP multiplicities - A4B5CD15E2_mP54_11_6f_2e7f_e_6e21f_f:C-H-K-O-U, expected KU2H16(CO4)12 to be KU2H5C4O15" +mp-1201982,K2UH6C4SeO15,-6.9502283059,-1.8302466407,0.0832963851,0.0832963851,GGA,P-1,A4B6C2D15EF_aP58_2_4i_6i_2i_15i_i_i:C-H-K-O-Se-U,58.0,A4B6C2D15EF_aP58_2_4i_6i_2i_15i_i_i:C-H-K-O-Se-U +mp-1196442,KUSeO8,-6.8959698750000005,-1.8531307728,0.2384493034,0.2384493034,GGA,P2_1/c,AB8CD_mP44_14_e_8e_e_e:K-O-Se-U,44.0,AB8CD_mP44_14_e_8e_e_e:K-O-Se-U +mp-1205024,K4UC2Se2O15,-6.7085547361,-1.9009509692,0.2007945048,0.2007945048,GGA,P2_1/c,A2B4C15D2E_mP96_14_2e_4e_15e_2e_e:C-K-O-Se-U,96.0,A2B4C15D2E_mP96_14_2e_4e_15e_2e_e:C-K-O-Se-U +mp-1211927,KUHSeO7,-6.7134464864000005,-1.8118767174,0.4614981553,0.4614981553,GGA,P2_1/c,ABC7DE_mP44_14_e_e_7e_e_e:H-K-O-Se-U,44.0,ABC7DE_mP44_14_e_e_7e_e_e:H-K-O-Se-U +mp-1202130,KU(SeO4)2,-7.0280026769,-2.11407421,0.0687147553,0.0687147553,GGA,P2_1/c,AB8C2D_mP48_14_e_8e_2e_e:K-O-Se-U,48.0,AB8C2D_mP48_14_e_8e_2e_e:K-O-Se-U +mp-1212323,K3UH5C5O12,-6.7676435696,-1.494957836,0.4180738019,0.4180738019,GGA,P-1,A5B5C3D12E_aP52_2_5i_5i_3i_12i_i:C-H-K-O-U,52.0,A5B5C3D12E_aP52_2_5i_5i_3i_12i_i:C-H-K-O-U +mp-1190571,YH9C5(NO4)2,-6.8286295728,-1.252996272,0.1141954209,0.1141954209,GGA,C2,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Y,25.0,A5B9C2D8E_mC50_5_a2c_a4c_c_4c_b:C-H-N-O-Y +mp-708135,YH16C4N9O16,-6.5110500883,-1.0362626207,0.2538066173,0.2538066173,GGA,Cm,A4B16C9D16E_mC92_8_2b_8b_a4b_2a7b_a:C-H-N-O-Y,46.0,A4B16C9D16E_mC92_8_2b_8b_a4b_2a7b_a:C-H-N-O-Y +mp-1178797,YH16C4N9O16,-6.538143565,-1.0633560974,0.2267131406,0.2267131406,GGA,Cm,A4B16C9D16E_mC92_8_2b_8b_a4b_2a7b_a:C-H-N-O-Y,46.0,A4B16C9D16E_mC92_8_2b_8b_a4b_2a7b_a:C-H-N-O-Y +mp-1206889,YCCl,-7.2906769333,-1.4427858447,0.0,-0.0566530149,GGA,C2/m,ABC_mC12_12_i_i_i:C-Cl-Y,6.0,ABC_mC12_12_i_i_i:C-Cl-Y +mp-707981,Y4H9NO13,-7.0317793133,-2.2523768308,0.0,-0.0218235907,GGA,P2_1,A9BC13D4_mP54_4_9a_a_13a_4a:H-N-O-Y,54.0,A9BC13D4_mP54_4_9a_a_13a_4a:H-N-O-Y +mp-28580,Y2NCl3,-6.9473597267,-2.4781852047,0.0,-0.0263656383,GGA,C2/m,A3BC2_mC24_12_3i_i_2i:Cl-N-Y,12.0,A3BC2_mC24_12_3i_i_2i:Cl-N-Y +mp-1205880,Y(NCl2)3,-3.607107382,0.6496102028,1.7472324735,1.7472324735,GGA,Fm-3m,A6B3C_cF40_225_e_ac_b:Cl-N-Y,10.0,A6B3C_cF40_225_e_ac_b:Cl-N-Y +mp-1201093,YH24C9(N3O4)3,-6.2029203813,-0.6513093906,0.3697286699,0.3697286699,GGA,Cc,A9B24C9D12E_mC220_9_9a_24a_9a_12a_a:C-H-N-O-Y,110.0,A9B24C9D12E_mC220_9_9a_24a_9a_12a_a:C-H-N-O-Y +mp-558263,YH24C9N6(ClO)3,-5.9008693117,-0.654031675,0.0975878282,0.0975878282,GGA,R-3,A9B3C24D6E3F_hR276_148_3f_f_8f_2f_f_ab:C-Cl-H-N-O-Y,92.0,"Invalid WP multiplicities - A9B3C24D6E3F_hR276_148_13f_f_42f_7f_f_ab:C-Cl-H-N-O-Y, expected YH126C39N21(ClO)3 to be YH24C9N6(ClO)3" +mp-23958,YH12(ClO2)3,-5.3050366105,-1.5593581604,0.0,-0.011485657,GGA,P2/c,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-Y,44.0,A3B12C6D_mP44_13_eg_6g_3g_f:Cl-H-O-Y +mp-773025,H48PtW6C8(NO)24,-6.5848990377,-0.8254711452,0.1434955171,0.1434955171,GGA+U,R-3,A8B48C24D24EF6_hR333_148_cf_8f_4f_4f_a_f:C-H-N-O-Pt-W,111.0,"Invalid WP multiplicities - A8B48C24D24EF6_hR333_148_c2f_47f_21f_17f_a_f:C-H-N-O-Pt-W, expected H282PtW6C14(N21O17)6 to be H48PtW6C8(NO)24" +mp-1196853,UH6C2(SO4)2,-6.6533164203,-1.497973963,0.1968224522,0.1968224522,GGA,P2_1/c,A2B6C8D2E_mP152_14_4e_12e_16e_4e_2e:C-H-O-S-U,152.0,A2B6C8D2E_mP152_14_4e_12e_16e_4e_2e:C-H-O-S-U +mp-1204634,UH42C14S7Cl4O7,-5.2019751062,-0.4824639397,0.1869802565,0.1869802565,GGA,P2_1/c,A14B4C42D7E7F_mP300_14_14e_4e_42e_7e_7e_e:C-Cl-H-O-S-U,300.0,A14B4C42D7E7F_mP300_14_14e_4e_42e_7e_7e_e:C-Cl-H-O-S-U +mp-1203496,UH12C4S3O8,-6.0862361563,-1.0540345917,0.225929841,0.225929841,GGA,P2_1/c,A4B12C8D3E_mP112_14_4e_12e_8e_3e_e:C-H-O-S-U,112.0,A4B12C8D3E_mP112_14_4e_12e_8e_3e_e:C-H-O-S-U +mp-1204894,P3PbNO9,-6.9342036399,-1.7335430745,0.5128731619,0.5128731619,GGA,P2_1/c,AB9C3D_mP112_14_2e_18e_6e_2e:N-O-P-Pb,112.0,AB9C3D_mP112_14_2e_18e_6e_2e:N-O-P-Pb +mp-559039,PH3PbCO3,-6.1840889098,-1.3648823167,0.0080087325,0.0080087325,GGA,R-3,AB3C3DE_hR162_148_f_3f_3f_f_f:C-H-O-P-Pb,54.0,"Invalid WP multiplicities - AB3C3DE_hR162_148_f_14f_14f_f_f:C-H-O-P-Pb, expected PH14PbCO14 to be PH3PbCO3" +mp-1195389,P2H16PbC6(NO3)2,-5.5855804571,-0.4174597336,0.4916888133,0.4916888133,GGA,P4_12_12,A6B16C2D6E2F_tP132_92_3b_8b_b_3b_b_a:C-H-N-O-P-Pb,132.0,A6B16C2D6E2F_tP132_92_3b_8b_b_3b_b_a:C-H-N-O-P-Pb +mp-1193857,PHPb2N2O9,-6.5765017207,-1.4148676578,0.1647544068,0.1647544068,GGA,Pmn2_1,AB2C9DE2_oP30_31_a_2a_3a3b_a_2a:H-N-O-P-Pb,30.0,AB2C9DE2_oP30_31_a_2a_3a3b_a_2a:H-N-O-P-Pb +mp-1197521,H6PbC10N8O7,-7.4466239828,-0.6442977752,0.1668893511,0.1668893511,GGA,P-1,A10B6C8D7E_aP64_2_10i_6i_8i_7i_i:C-H-N-O-Pb,64.0,A10B6C8D7E_aP64_2_10i_6i_8i_7i_i:C-H-N-O-Pb +mp-696630,K2MnH2OF5,-5.4915789068,-2.5213653773,0.0,-0.0231631087,GGA+U,P2_1/m,A5B2C2DE_mP22_11_e2f_f_2e_a_e:F-H-K-Mn-O,22.0,A5B2C2DE_mP22_11_e2f_f_2e_a_e:F-H-K-Mn-O +mp-1199919,K2MnP2H2(O4F)2,-6.5833750618,-2.3250610668,0.0614809872,0.0614809872,GGA+U,P-1,A2B2C2DE8F2_aP34_2_2i_2i_2i_bc_8i_2i:F-H-K-Mn-O-P,34.0,A2B2C2DE8F2_aP34_2_2i_2i_2i_bc_8i_2i:F-H-K-Mn-O-P +mp-558599,K2Mn2P2O7F2,-7.3891275228,-2.7343800292,0.0,-0.0193438338,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_d_ac_c3d_d:F-K-Mn-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_d_d_3a3c_4c19d_d:F-K-Mn-O-P, expected KMn3PO21F to be K2Mn2P2O7F2" +mp-1198325,KMnP(OF)3,-6.8176516361,-2.788738327,0.0,-0.0288441845,GGA+U,P2_1/c,A3BCD3E_mP36_14_3e_e_ad_3e_e:F-K-Mn-O-P,36.0,A3BCD3E_mP36_14_3e_e_ad_3e_e:F-K-Mn-O-P +mp-505401,KMnH2OF4,-5.6778757053,-2.3833789375,0.0129399156,0.0129399156,GGA+U,C2/c,A4B2CDE_mC72_15_4f_2f_f_ce_f:F-H-K-Mn-O,36.0,A4B2CDE_mC72_15_4f_2f_f_ae_f:F-H-K-Mn-O +mp-1200698,P4H36W(C6Cl)2,-5.1729008544,-0.2421638161,0.0429209269,0.0429209269,GGA,I-42m,A12B2C36D4E_tI110_121_ij_e_i4j_i_a:C-Cl-H-P-W,55.0,A12B2C36D4E_tI110_121_ij_e_i4j_i_a:C-Cl-H-P-W +mp-1201006,P2H18WC6(ClO2)2,-5.618977348,-0.6580796154,0.0676783419,0.0676783419,GGA+U,P2_1/c,A6B2C18D4E2F_mP132_14_6e_2e_18e_4e_2e_e:C-Cl-H-O-P-W,132.0,A6B2C18D4E2F_mP132_14_6e_2e_18e_4e_2e_e:C-Cl-H-O-P-W +mp-605052,PH3W(CO)5,-7.2630544592,-0.6346289998,0.5999821035,0.5999821035,GGA+U,P2_1/c,A5B3C5DE_mP60_14_5e_3e_5e_e_e:C-H-O-P-W,60.0,"Invalid WP multiplicities - A5B3C5DE_mP60_14_16e_7e_19e_e_e:C-H-O-P-W, expected PH7WC16O19 to be PH3W(CO)5" +mp-601227,H12W3C4S2Cl9O2,-5.2509649694,-0.5226877101,0.3752547744,0.3752547744,GGA+U,P2_1/c,A4B9C12D2E2F3_mP128_14_4e_9e_12e_2e_2e_3e:C-Cl-H-O-S-W,128.0,"Invalid WP multiplicities - A4B9C12D2E2F3_mP128_14_13e_33e_46e_2e_4e_8e:C-Cl-H-O-S-W, expected H46W8C13S4Cl33O2 to be H12W3C4S2Cl9O2" +mp-1215033,BC24Br(NF2)6,-7.4960940605,-0.6170688541,0.2320474899,0.2320474899,GGA,P2_1/c,ABC24D12E6_mP176_14_e_e_24e_12e_6e:B-Br-C-F-N,176.0,ABC24D12E6_mP176_14_e_e_24e_12e_6e:B-Br-C-F-N +mp-1214918,BC6BrNF5,-6.7910661835,-0.9697588393,0.3345960067,0.3345960067,GGA,C2/c,ABC6D5E_mC168_15_ef_ef_2e8f_e7f_ef:B-Br-C-F-N,84.0,ABC6D5E_mC168_15_ef_ef_2e8f_e7f_ef:B-Br-C-F-N +mp-554318,BH11C4BrNF4,-5.3976628741,-0.9226865395,0.1113164829,0.1113164829,GGA,P2_1/m,ABC4D4E11F_mP44_11_e_e_2ef_2ef_e5f_e:B-Br-C-F-H-N,44.0,"Invalid WP multiplicities - ABC4D4E11F_mP44_11_e_e_4e3f_3e2f_2e17f_e:B-Br-C-F-H-N, expected BH36C10BrNF7 to be BH11C4BrNF4" +mp-600224,Mo12PH24C6N3O40,-7.1235174855,-1.3649645194,0.197498141,0.197498141,GGA+U,R-3,A6B24C12D3E40F_hR516_148_2f_8f_4f_f_c13f_c:C-H-Mo-N-O-P,172.0,"Invalid WP multiplicities - A6B24C12D3E40F_hR516_148_9f_43f_21f_f_2c73f_c:C-H-Mo-N-O-P, expected Mo63PH129C27N3O221 to be Mo12PH24C6N3O40" +mp-720800,Mo12PH24C6N3O40,-7.1243474017,-1.3657944356,0.1966682248,0.1966682248,GGA+U,R-3m,A6B24C12D3E40F_hR516_166_2h_2h3i_2hi_h_c7h3i_c:C-H-Mo-N-O-P,172.0,A6B24C12D3E40F_hR516_166_2h_2h3i_2hi_h_c7h3i_c:C-H-Mo-N-O-P +mp-1195714,CaP6(HN3)4,-7.1784478176,-0.7395670263,0.0,-0.0954224866,GGA,Cmce,AB4C12D6_oC92_64_a_g_2f2g_fg:Ca-H-N-P,46.0,AB4C12D6_oC92_64_a_g_2f2g_fg:Ca-H-N-P +mp-540920,CaP2H20C4(N2O3)4,-6.4120057224,-1.2278863246,0.0229634477,0.0229634477,GGA,P2_1/c,A4BC20D8E12F2_mP94_14_2e_a_10e_4e_6e_e:C-Ca-H-N-O-P,94.0,A4BC20D8E12F2_mP94_14_2e_a_10e_4e_6e_e:C-Ca-H-N-O-P +mp-1214543,CaP2H5NO7,-6.6400053868,-2.0925584479,0.0,-0.0080628081,GGA,P2_1/c,AB5CD7E2_mP128_14_2e_10e_2e_14e_4e:Ca-H-N-O-P,128.0,AB5CD7E2_mP128_14_2e_10e_2e_14e_4e:Ca-H-N-O-P +mp-1201590,CaP2H10(NO4)2,-6.0966630599,-1.6181428476000002,0.1064274257,0.1064274257,GGA,Pbcn,AB10C2D8E2_oP184_60_d_10d_2d_8d_2cd:Ca-H-N-O-P,184.0,AB10C2D8E2_oP184_60_d_10d_2d_8d_2cd:Ca-H-N-O-P +mp-1229244,Ca2P4H11NO18,-6.4586175919,-2.0041373695,0.1069948679,0.1069948679,GGA,P1,A2B11CD18E4_aP36_1_2a_11a_a_18a_4a:Ca-H-N-O-P,36.0,A2B11CD18E4_aP36_1_2a_11a_a_18a_4a:Ca-H-N-O-P +mp-707856,CaP3H16(NO4)3,-5.9549971825,-1.4721722274,0.1673507971,0.1673507971,GGA,P2_1/c,AB16C3D12E3_mP140_14_e_16e_3e_12e_3e:Ca-H-N-O-P,140.0,AB16C3D12E3_mP140_14_e_16e_3e_12e_3e:Ca-H-N-O-P +mp-849799,CaP3H16(NO4)3,-6.1057502696,-1.6229253145,0.01659771,0.01659771,GGA,P2_1/c,AB16C3D12E3_mP140_14_e_16e_3e_12e_3e:Ca-H-N-O-P,140.0,"Invalid WP multiplicities - AB16C3D12E3_mP140_14_e_61e_9e_43e_9e:Ca-H-N-O-P, expected CaP9H61N9O43 to be CaP3H16(NO4)3" +mp-707081,Ca3P4H20(NO10)2,-6.2162528204,-1.9074508889,0.0163772711,0.0163772711,GGA,P2_1/c,A3B20C2D20E4_mP98_14_ae_10e_e_10e_2e:Ca-H-N-O-P,98.0,A3B20C2D20E4_mP98_14_ae_10e_e_10e_2e:Ca-H-N-O-P +mp-705854,CaP3H10NO12,-6.3323657606,-1.8927536381,0.053734283,0.053734283,GGA,P2_12_12,AB10CD12E3_oP108_18_c_10c_ab_12c_3c:Ca-H-N-O-P,108.0,AB10CD12E3_oP108_18_c_10c_ab_12c_3c:Ca-H-N-O-P +mp-728538,BaS2(NO3)2,-6.4261288291,-1.2856745753,0.6068568995,0.6068568995,GGA,Pna2_1,AB2C6D2_oP44_33_a_2a_6a_2a:Ba-N-O-S,44.0,AB2C6D2_oP44_33_a_2a_6a_2a:Ba-N-O-S +mp-1245788,Ba(ZnN)2,-4.5151407720000005,-0.29285037,0.1829777614,0.1829777614,GGA,I4/mcm,AB2C2_tI20_140_a_h_h:Ba-N-Zn,10.0,AB2C2_tI20_140_a_h_h:Ba-N-Zn +mp-1247526,Ba(ZnN)2,-4.490611776,-0.268321374,0.2075067574,0.2075067574,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Ba-N-Zn,5.0,AB2C2_hP5_164_a_d_d:Ba-N-Zn +mp-733972,BaC2S2(NO)2,-6.6710242206,-0.5359605615,0.7577279436000001,0.7577279436000001,GGA,C2/m,AB2C2D2E2_mC36_12_i_2i_2i_2i_2i:Ba-C-N-O-S,18.0,AB2C2D2E2_mC36_12_i_2i_2i_2i_2i:Ba-C-N-O-S +mp-740871,BaZnC4S4N4O7,-6.1157063361,-0.1818024948,1.1277183851,1.1277183851,GGA,I-4,AB4C4D7E4F_tI168_82_g_4g_4g_7g_4g_ef:Ba-C-N-O-S-Zn,84.0,AB4C4D7E4F_tI168_82_g_4g_4g_7g_4g_ef:Ba-C-N-O-S-Zn +mp-9307,Ba2ZnN2,-4.922035324,-0.567898656,0.0,-0.0154119983,GGA,I4/mmm,A2B2C_tI10_139_e_e_a:Ba-N-Zn,5.0,A2B2C_tI10_139_e_e_a:Ba-N-Zn +mp-10928,BaC2(SN)2,-7.2026114036,-0.7280120452000001,0.0234902186,0.0234902186,GGA,C2/c,AB2C2D2_mC28_15_e_f_f_f:Ba-C-N-S,14.0,AB2C2D2_mC28_15_e_f_f_f:Ba-C-N-S +mp-545788,Ba3ZnN2O,-5.2958877571,-1.2049810441,0.0075976686,0.0075976686,GGA,P4/mmm,A3B2CD_tP7_123_ah_g_c_b:Ba-N-O-Zn,7.0,A3B2CD_tP7_123_ah_g_c_b:Ba-N-O-Zn +mp-1178764,ZnC4S4(NO6)2,-6.0202139439,-0.3352809251,1.1212579797,1.1212579797,GGA,P-1,A4B2C12D4E_aP23_2_2i_i_6i_2i_a:C-N-O-S-Zn,23.0,A4B2C12D4E_aP23_2_2i_i_6i_2i_a:C-N-O-S-Zn +mp-1190562,HoH9C5(NO4)2,-6.7564002648,-1.2561294537,0.1173097131,0.1173097131,GGA,C2,A5B9CD2E8_mC50_5_a2c_a4c_b_c_4c:C-H-Ho-N-O,25.0,A5B9CD2E8_mC50_5_a2c_a4c_b_c_4c:C-H-Ho-N-O +mp-1195209,HoH9C5(NO4)2,-6.7661333462,-1.2658625351,0.1075766317,0.1075766317,GGA,C222_1,A5B9CD2E8_oC100_20_2abc_2ab3c_a_c_4c:C-H-Ho-N-O,50.0,A5B9CD2E8_oC100_20_2abc_2ab3c_a_c_4c:C-H-Ho-N-O +mp-1199465,Ho6H40N8O49,-6.1565572509,-1.5712834521,0.0,-0.0063828532,GGA,P-1,A40B6C8D49_aP103_2_20i_3i_4i_a24i:H-Ho-N-O,103.0,A40B6C8D49_aP103_2_20i_3i_4i_a24i:H-Ho-N-O +mp-555297,HoH16C2S2NO12,-5.8706505003,-1.3620323894,0.0926128651,0.0926128651,GGA,Pnma,A2B16CDE12F2_oP136_62_d_2c7d_c_c_2c5d_d:C-H-Ho-N-O-S,136.0,"Invalid WP multiplicities - A2B16CDE12F2_oP136_62_d_8c48d_c_c_8c34d_d:C-H-Ho-N-O-S, expected HoH104C2S2NO76 to be HoH16C2S2NO12" +mp-1199714,HgP5H27C11(OF)6,-5.3837080221,-0.7115986899000001,0.2037124207,0.2037124207,GGA,P-1,A11B6C27DE6F5_aP112_2_11i_6i_27i_i_6i_5i:C-F-H-Hg-O-P,112.0,A11B6C27DE6F5_aP112_2_11i_6i_27i_i_6i_5i:C-F-H-Hg-O-P +mp-561472,Hg2PO3F,-5.1448832021,-1.8917105824,0.0,-0.0413947783,GGA,Ibam,AB2C3D_oI56_72_j_k_jk_j:F-Hg-O-P,28.0,"Invalid WP multiplicities - AB2C3D_oI56_72_j_k_3j3k_j:F-Hg-O-P, expected Hg2PO9F to be Hg2PO3F" +mp-707774,Mg3B2H9SO13F,-5.8679609872,-1.7628216707000002,0.3720442507,0.3720442507,GGA,Pnma,A2BC9D3E13F_oP116_62_d_c_c4d_cd_3c5d_c:B-F-H-Mg-O-S,116.0,A2BC9D3E13F_oP116_62_d_c_c4d_cd_3c5d_c:B-F-H-Mg-O-S +mp-1181947,Mg3B2H9SO13F,-6.1499262347,-2.0447869183,0.0900790031,0.0900790031,GGA,Pnma,A2BC9D3E13F_oP116_62_d_c_c4d_cd_3c5d_c:B-F-H-Mg-O-S,116.0,A2BC9D3E13F_oP116_62_d_c_c4d_cd_3c5d_c:B-F-H-Mg-O-S +mp-677193,Mg3BH2O5F,-6.4576940708,-2.7151435263,0.0038650429,0.0028536722,GGA,Pm,ABC2D3E5_mP24_6_ab_ab_2a2b_3a3b_5a5b:B-F-H-Mg-O,24.0,ABC2D3E5_mP24_6_ab_ab_2a2b_3a3b_5a5b:B-F-H-Mg-O +mp-1222264,Mg3BH2O5F,-6.4615591137,-2.7190085692,0.0,-0.0010113707,GGA,Pm,ABC2D3E5_mP24_6_ab_2a_a3b_3a3b_4a6b:B-F-H-Mg-O,24.0,ABC2D3E5_mP24_6_ab_2a_a3b_3a3b_4a6b:B-F-H-Mg-O +mp-1196808,Mg3B2SO14,-6.2419595514,-1.6644737756,0.4182148851,0.4182148851,GGA,Pnma,A2B3C14D_oP80_62_d_cd_4c5d_c:B-Mg-O-S,80.0,A2B3C14D_oP80_62_d_cd_4c5d_c:B-Mg-O-S +mp-1200187,BHS3O11,-6.5912533744,-1.7853131719,0.0,-0.0084587867,GGA,P2_1/c,ABC11D3_mP128_14_2e_2e_22e_6e:B-H-O-S,128.0,ABC11D3_mP128_14_2e_2e_22e_6e:B-H-O-S +mp-1190526,PuPO4,-9.7663312237,-3.1883486101,0.0,-0.2244832129,GGA,P2_1/c,A4BC_mP24_14_4e_e_e:O-P-Pu,24.0,A4BC_mP24_14_4e_e_e:O-P-Pu +mp-1200008,PuP2H4CO7,-7.5174783385,-2.0160894055,0.0572991874,0.0572991874,GGA,P-1,AB4C7D2E_aP60_2_2i_8i_14i_4i_2i:C-H-O-P-Pu,60.0,AB4C7D2E_aP60_2_2i_8i_14i_4i_2i:C-H-O-P-Pu +mp-1200565,PuP2H4CO7,-7.5185358226,-2.0171468896,0.0562417033,0.0562417033,GGA,Pbca,AB4C7D2E_oP120_61_c_4c_7c_2c_c:C-H-O-P-Pu,120.0,AB4C7D2E_oP120_61_c_4c_7c_2c_c:C-H-O-P-Pu +mp-1191555,PuP2H2CO6,-8.0895795729,-2.1905218068,0.0469286117,0.0469286117,GGA,C2/m,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Pu,24.0,AB2C6D2E_mC48_12_i_2i_3j_j_g:C-H-O-P-Pu +mp-1198593,PuUP4H4(CO8)2,-7.555222363,-1.8985183305,0.5372256821,0.5372256821,GGA,P2_1/m,A2B4C16D4EF_mP56_11_f_2f_2e7f_2f_e_a:C-H-O-P-Pu-U,56.0,A2B4C16D4EF_mP56_11_f_2f_2e7f_2f_e_a:C-H-O-P-Pu-U +mp-1199114,PuP2H6CO8,-7.1193723711,-1.8830959936,0.0686191213,0.0686191213,GGA,P2_1/c,AB6C8D2E_mP72_14_e_6e_8e_2e_e:C-H-O-P-Pu,72.0,AB6C8D2E_mP72_14_e_6e_8e_2e_e:C-H-O-P-Pu +mp-1204667,PuP2H6(CO3)2,-7.1710735666,-1.6658816333000002,0.0,-0.0058998133,GGA,P2_1/c,A2B6C6D2E_mP68_14_2e_6e_6e_2e_e:C-H-O-P-Pu,68.0,A2B6C6D2E_mP68_14_2e_6e_6e_2e_e:C-H-O-P-Pu +mp-1219882,PuP2CO7,-8.2994384841,-2.0312630464,0.6048315120000001,0.6048315120000001,GGA,P2_1,AB7C2D_mP22_4_a_7a_2a_a:C-O-P-Pu,22.0,AB7C2D_mP22_11_e_3e2f_2e_e:C-O-P-Pu +mp-1120805,H12PbC2(I3N)2,-4.2843290463,-0.4410299791,0.0848384621,0.0848384621,GGA,P1,A2B12C6D2E_aP46_1_4a_24a_12a_4a_2a:C-H-I-N-Pb,46.0,A2B12C6D2E_aP46_1_4a_24a_12a_4a_2a:C-H-I-N-Pb +mp-1232356,H3PbCI3N2,-4.772497413,-0.3512394533,0.2363939477,0.2363939477,GGA,Pnma,AB3C3D2E_oP40_62_c_cd_cd_2c_a:C-H-I-N-Pb,40.0,"Invalid WP multiplicities - AB3C3D2E_oP40_62_c_3c2d_3c2d_5c_a:C-H-I-N-Pb, expected H7PbCI7N5 to be H3PbCI3N2" +mp-977014,H5PbCI3N2,-4.7875548425000005,-0.5377188685000001,0.0598586613,0.0598586613,GGA,Pmm2,AB5C3D2E_oP12_25_a_a2e_bcd_e_d:C-H-I-N-Pb,12.0,AB5C3D2E_oP12_25_a_a2e_bcd_e_d:C-H-I-N-Pb +mp-1194995,H36Pb3C10(I5N2)2,-4.7533488513,-0.4098190583,0.0496537023,0.0496537023,GGA,Aea2,A10B36C10D4E3_oC252_41_5b_18b_5b_2b_ab:C-H-I-N-Pb,126.0,A10B36C10D4E3_oC252_41_5b_18b_5b_2b_ab:C-H-I-N-Pb +mp-990432,H6PbCI3N,-4.3671320256,-0.5292767917,0.0539655726,0.0539655726,GGA,P1,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Pb,48.0,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Pb +mp-977013,H6PbCI3N,-4.3739675025,-0.5361122685,0.0471300957,0.0471300957,GGA,Pm,AB6C3DE_mP12_6_a_2a2c_a2b_a_b:C-H-I-N-Pb,12.0,"Invalid WP multiplicities - AB6C3DE_mP12_6_a_2a4c_a2b_a_b:C-H-I-N-Pb, expected H10PbCI3N to be H6PbCI3N" +mp-995227,H6PbCI3N,-4.3802306202,-0.5423753863,0.040866978,0.040866978,GGA,Cc,AB6C3DE_mC96_9_2a_12a_6a_2a_2a:C-H-I-N-Pb,48.0,"Invalid WP multiplicities - AB6C3DE_mC96_9_3a_24a_9a_3a_2a:C-H-I-N-Pb, expected H24Pb2C3(I3N)3 to be H6PbCI3N" +mp-995203,H6PbCI3N,-4.3686731304,-0.5308178965,0.0524244678,0.0524244678,GGA,Pnma,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb,48.0,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb +mp-995214,H6PbCI3N,-4.3805029765,-0.5426477425,0.0405946218,0.0405946218,GGA,Pnma,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb,48.0,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb +mp-1194604,H6PbCI3N,-4.3799583013,-0.5421030673,0.041139297,0.041139297,GGA,Pnma,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb,48.0,AB6C3DE_oP48_62_c_2c2d_cd_c_a:C-H-I-N-Pb +mp-760193,H9PbC3I,-4.6290528066,-0.1000139279,0.2067024399,0.2067024399,GGA,P2_12_12_1,A3B9CD_oP56_19_3a_9a_a_a:C-H-I-Pb,56.0,"Invalid WP multiplicities - A3B9CD_oP56_19_9a_33a_a_a:C-H-I-Pb, expected H33PbC9I to be H9PbC3I" +mp-1040455,H4PbI3N,-3.9896183756,-0.6518244617,0.0551712186,0.0551712186,GGA,Cm,A4B3CD_mC18_8_2ab_ab_a_a:H-I-N-Pb,9.0,"Invalid WP multiplicities - A4B3CD_mC18_8_2a2b_ab_a_a:H-I-N-Pb, expected H6PbI3N to be H4PbI3N" +mp-1200366,H4PbI3N,-4.0307561756,-0.6929622617,0.0140334186,0.0140334186,GGA,Pnma,A4B3CD_oP36_62_2cd_3c_c_c:H-I-N-Pb,36.0,A4B3CD_oP36_62_2cd_3c_c_c:H-I-N-Pb +mp-1097019,H6PbCNF3,-5.1026939798,-1.1553105915,0.1017219341,0.1017219341,GGA,P1,AB3C6DE_aP48_1_4a_12a_24a_4a_4a:C-F-H-N-Pb,48.0,AB3C6DE_aP48_1_4a_12a_24a_4a_4a:C-F-H-N-Pb +mp-977011,H3PbCI3NF3,-4.5449689625000005,-1.0774254979,0.1143116728,0.1143116728,GGA,Pm,AB3C3D3EF_mP12_6_a_ac_ac_a2b_a_b:C-F-H-I-N-Pb,12.0,"Invalid WP multiplicities - AB3C3D3EF_mP12_6_a_a2c_ac_a2b_a_b:C-F-H-I-N-Pb, expected H3PbCI3NF5 to be H3PbCI3NF3" +mp-1198273,SrP11H28N9,-5.1030787052,-0.3834745295,0.0,-0.0190058203,GGA,Pna2_1,A28B9C11D_oP196_33_28a_9a_11a_a:H-N-P-Sr,196.0,A28B9C11D_oP196_33_28a_9a_11a_a:H-N-P-Sr +mp-1203893,SrP3H15(N2O5)2,-6.0692858145,-1.4743416188,0.0853576129,0.0853576129,GGA,P2_1/c,A15B4C10D3E_mP132_14_15e_4e_10e_3e_e:H-N-O-P-Sr,132.0,A15B4C10D3E_mP132_14_15e_4e_10e_3e_e:H-N-O-P-Sr +mp-1194627,H10PbC6S2IN,-5.5336705907,-0.2434486153,0.1094585883,0.1094585883,GGA,P-1,A6B10CDEF2_aP42_2_6i_10i_i_i_i_2i:C-H-I-N-Pb-S,42.0,A6B10CDEF2_aP42_2_6i_10i_i_i_i_2i:C-H-I-N-Pb-S +mp-1194969,H8PbC5S2IN,-5.5403175047,-0.2580650658,0.1183296024,0.1183296024,GGA,P2_1/c,A5B8CDEF2_mP72_14_5e_8e_e_e_e_2e:C-H-I-N-Pb-S,72.0,A5B8CDEF2_mP72_14_5e_8e_e_e_e_2e:C-H-I-N-Pb-S +mp-1194606,H6PbC3S2IN,-5.2906306779,-0.3022191903,0.1362920081,0.1362920081,GGA,P2_1/c,A3B6CDEF2_mP56_14_3e_6e_e_e_e_2e:C-H-I-N-Pb-S,56.0,A3B6CDEF2_mP56_14_3e_6e_e_e_e_2e:C-H-I-N-Pb-S +mp-1213452,H5PbC2SIN6,-6.1161250391,-0.1934754111,0.2191537292,0.2191537292,GGA,P2_1/c,A2B5CD6EF_mP64_14_2e_5e_e_6e_e_e:C-H-I-N-Pb-S,64.0,A2B5CD6EF_mP64_14_2e_5e_e_6e_e_e:C-H-I-N-Pb-S +mp-1200557,CsV(NO4)2,-7.011453705,-1.4926363732,0.0,-0.0196072351,GGA+U,P2_12_12_1,AB2C8D_oP48_19_a_2a_8a_a:Cs-N-O-V,48.0,AB2C8D_oP48_19_a_2a_8a_a:Cs-N-O-V +mp-1029293,CsVN2,-7.5789456788,-0.9158711057,0.0,-0.1054851834,GGA,Fd-3m,AB2C_cF32_227_b_c_a:Cs-N-V,8.0,AB2C_cF32_227_b_c_a:Cs-N-V +mp-723109,BeH14(I2O9)2,-5.1461579672,-1.1955785159,0.0,-0.0001350241,GGA,Pnma,AB14C4D18_oP148_62_c_7d_2d_2c8d:Be-H-I-O,148.0,AB14C4D18_oP148_62_c_7d_2d_2c8d:Be-H-I-O +mp-1201870,BeH48C20I6(N2O)4,-5.438644401,-0.3066618122,0.2246137899,0.2246137899,GGA,C2/c,AB20C48D6E8F4_mC348_15_e_10f_24f_3f_4f_2f:Be-C-H-I-N-O,174.0,AB20C48D6E8F4_mC348_15_e_10f_24f_3f_4f_2f:Be-C-H-I-N-O +mp-734194,BeH8(IO5)2,-5.2659464569,-1.2995254551,0.0,-0.0069170968,GGA,Pccn,AB8C2D10_oP84_56_c_4e_e_5e:Be-H-I-O,84.0,AB8C2D10_oP84_56_c_4e_e_5e:Be-H-I-O +mp-1203957,La2C2S2O15,-7.1247458867,-1.848432763,0.4235171318,0.4235171318,GGA,P2_1/c,A2B2C15D2_mP84_14_2e_2e_15e_2e:C-La-O-S,84.0,A2B2C15D2_mP84_14_2e_2e_15e_2e:C-La-O-S +mp-698218,LaH13C3S3O11,-5.917770025,-1.2871130059,0.1558866258,0.1558866258,GGA,P-1,A3B13CD11E3_aP62_2_3i_13i_i_11i_3i:C-H-La-O-S,62.0,A3B13CD11E3_aP62_2_3i_13i_i_11i_3i:C-H-La-O-S +mp-1196054,LaH3CSO7,-6.9012889677,-2.0469719232,0.0353414104,0.0353414104,GGA,P4_1,AB3CD7E_tP52_76_a_3a_a_7a_a:C-H-La-O-S,52.0,AB3CD7E_tP52_76_a_3a_a_7a_a:C-H-La-O-S +mp-1203848,LaH3CSO7,-6.9013594183,-2.0470423738,0.0352709598,0.0352709598,GGA,P4_3,AB3CD7E_tP52_78_a_3a_a_7a_a:C-H-La-O-S,52.0,AB3CD7E_tP52_78_a_3a_a_7a_a:C-H-La-O-S +mp-540953,LaH18C3S3(O2F)9,-5.7497289438,-1.6661879918,0.1444705574,0.1444705574,GGA,P6_3/m,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-La-O-S,104.0,A3B9C18DE18F3_hP104_176_h_hi_3i_c_2h2i_h:C-F-H-La-O-S +mp-1202607,LaH4C2SO8,-6.8445765769,-1.8024389627,0.1020748302,0.1020748302,GGA,P2_1/c,A2B4CD8E_mP64_14_2e_4e_e_8e_e:C-H-La-O-S,64.0,A2B4CD8E_mP64_14_2e_4e_e_8e_e:C-H-La-O-S +mp-559029,RbC2S2N(OF)4,-6.0248250137,-1.4905442686,0.3047475326,0.3047475326,GGA,P2_1/c,A2B4CD4EF2_mP112_14_4e_8e_2e_8e_2e_4e:C-F-N-O-Rb-S,112.0,"Invalid WP multiplicities - A2B4CD4EF2_mP112_14_15e_30e_4e_29e_6e_12e:C-F-N-O-Rb-S, expected Rb6C15S12N4O29F30 to be RbC2S2N(OF)4" +mp-1204843,RbC2S2NO5F6,-5.6937800837,-1.4438049615000002,0.4829174744,0.4829174744,GGA,I-4,A2B6CD5EF2_tI136_82_2g_6g_g_5g_g_2g:C-F-N-O-Rb-S,68.0,A2B6CD5EF2_tI136_82_2g_6g_g_5g_g_2g:C-F-N-O-Rb-S +mp-1199274,UAsC2N2(O2F)2,-7.5881481113,-1.3639346088,0.6304639526,0.6304639526,GGA,Fddd,AB2C2D2E4F_oF192_70_e_h_h_h_2h_f:As-C-F-N-O-U,48.0,AB2C2D2E4F_oF192_70_e_h_h_h_2h_f:As-C-F-N-O-U +mp-3583,U2AsN2,-10.23567674,-1.452691085,0.0,-0.1239703419,GGA,P-3m1,AB2C2_hP5_164_a_d_d:As-N-U,5.0,AB2C2_hP5_164_a_d_d:As-N-U +mp-705014,Ni2P4C11S2(OF8)3,-5.8510396207,-1.4224034274,0.5968167710000001,0.5968167710000001,GGA+U,Pbcn,A11B24C2D3E4F2_oP184_60_c5d_12d_d_cd_2d_d:C-F-Ni-O-P-S,184.0,"Invalid WP multiplicities - A11B24C2D3E4F2_oP184_60_4c35d_88d_d_3c4d_11d_d:C-F-Ni-O-P-S, expected Ni2P22C74S2(OF16)11 to be Ni2P4C11S2(OF8)3" +mp-1199850,BiH18C3S3(O2F)9,-5.6003603166,-1.5378870180000002,0.1419147568,0.1419147568,GGA,P6_3/m,AB3C9D18E18F3_hP104_176_c_h_hi_3i_2h2i_h:Bi-C-F-H-O-S,104.0,AB3C9D18E18F3_hP104_176_c_h_hi_3i_2h2i_h:Bi-C-F-H-O-S +mp-1195992,KUCrNO9,-7.9288965217,-2.1664696176,0.0,-0.0176466574,GGA+U,P2_1/c,ABCD9E_mP52_14_e_e_e_9e_e:Cr-K-N-O-U,52.0,ABCD9E_mP52_14_e_e_e_9e_e:Cr-K-N-O-U +mp-554783,KUN3O11,-7.4415311406,-1.7024767934,0.0002904125,-0.0830318696,GGA,C2/c,AB3C11D_mC64_15_c_ef_e5f_e:K-N-O-U,32.0,"Invalid WP multiplicities - AB3C11D_mC64_15_c_ef_2e14f_e:K-N-O-U, expected KU(NO10)3 to be KUN3O11" +mp-1199439,KUN3O11,-7.4418215531,-1.7027672059,0.0,-0.0833222821,GGA,Pbca,AB3C11D_oP128_61_c_3c_11c_c:K-N-O-U,128.0,AB3C11D_oP128_61_c_3c_11c_c:K-N-O-U +mp-1213511,K5UCr3H3NO17,-6.6118141014,-1.6647831579,0.4178258934,0.4178258934,GGA+U,P2_12_12_1,A3B3C5DE17F_oP120_19_3a_3a_5a_a_17a_a:Cr-H-K-N-O-U,120.0,A3B3C5DE17F_oP120_19_3a_3a_5a_a_17a_a:Cr-H-K-N-O-U +mp-1181919,K2U2Cr2H2O17,-7.4135146975,-2.0139597761,0.1457937112,0.1457937112,GGA+U,P2_1/c,A2B2C2D17E2_mP100_14_2e_2e_2e_17e_2e:Cr-H-K-O-U,100.0,A2B2C2D17E2_mP100_14_2e_2e_2e_17e_2e:Cr-H-K-O-U +mp-561037,K8UCr4(NO12)2,-7.0141704621,-2.0351881445,0.0,-0.0119006603,GGA+U,P-1,A4B8C2D24E_aP39_2_2i_4i_i_12i_a:Cr-K-N-O-U,39.0,"Invalid WP multiplicities - A4B8C2D24E_aP39_2_4i_7i_i_24i_a:Cr-K-N-O-U, expected K14UCr8(NO24)2 to be K8UCr4(NO12)2" +mp-695948,PH4SNO2,-5.7758820284,-1.1813788172,0.0004649229,0.0004649229,GGA,Pnma,A4BC2DE_oP108_62_2c5d_cd_2c2d_cd_cd:H-N-O-P-S,108.0,A4BC2DE_oP108_62_2c5d_cd_2c2d_cd_cd:H-N-O-P-S +mp-1173354,PH11S(NO4)2,-5.854312185,-1.3709974716,0.0,-0.0050370608,GGA,Pc,A11B2C8DE_mP46_7_11a_2a_8a_a_a:H-N-O-P-S,46.0,"Invalid WP multiplicities - A11B2C8DE_mP46_7_22a_4a_16a_a_a:H-N-O-P-S, expected PH22S(NO4)4 to be PH11S(NO4)2" +mp-1173409,PH11S(NO4)2,-5.494588803,-1.0112740896,0.359723382,0.3546863211,GGA,Pc,A11B2C8DE_mP46_7_11a_2a_8a_a_a:H-N-O-P-S,46.0,"Invalid WP multiplicities - A11B2C8DE_mP46_7_22a_4a_16a_a_a:H-N-O-P-S, expected PH22S(NO4)4 to be PH11S(NO4)2" +mp-1198119,PH10S3N2O,-4.981133302,-0.6652750009,0.0,-0.0448036758,GGA,P2_1/c,A10B2CDE3_mP136_14_20e_4e_2e_2e_6e:H-N-O-P-S,136.0,A10B2CDE3_mP136_14_20e_4e_2e_2e_6e:H-N-O-P-S +mp-1238312,P2H19S6N5O2,-4.5996139166,-0.1383506485,0.5328345699,0.5328345699,GGA,P2_1/c,A19B5C2D2E6_mP136_14_19e_5e_2e_2e_6e:H-N-O-P-S,136.0,A19B5C2D2E6_mP136_14_19e_5e_2e_2e_6e:H-N-O-P-S +mp-707041,PH10SN3O2,-5.4273209926,-0.8167401091000001,0.034343861,0.034343861,GGA,P-1,A10B3C2DE_aP34_2_10i_3i_2i_i_i:H-N-O-P-S,34.0,A10B3C2DE_aP34_2_10i_3i_2i_i_i:H-N-O-P-S +mp-703393,PH8SN3O,-5.1234896907,-0.3629372464,0.3568164317,0.3568164317,GGA,P2_1,A8B3CDE_mP28_4_8a_3a_a_a_a:H-N-O-P-S,28.0,A8B3CDE_mP28_4_8a_3a_a_a_a:H-N-O-P-S +mp-696992,AgP2H8SN7O2,-5.9181607963000005,-0.5283388372,0.1985111934,0.1985111934,GGA,P2_1/c,AB8C7D2E2F_mP84_14_e_8e_7e_2e_2e_e:Ag-H-N-O-P-S,84.0,AB8C7D2E2F_mP84_14_e_8e_7e_2e_2e_e:Ag-H-N-O-P-S +mp-1183028,AgP2H8SN7O2,-5.9320661169,-0.5422441578,0.1846058729,0.1846058729,GGA,P2_1/c,AB8C7D2E2F_mP84_14_e_8e_7e_2e_2e_e:Ag-H-N-O-P-S,84.0,AB8C7D2E2F_mP84_14_e_8e_7e_2e_2e_e:Ag-H-N-O-P-S +mp-1201487,AgPHNO2,-6.2460442399,-1.2679680894,0.083274481,0.083274481,GGA,P2_1/c,ABCD2E_mP72_14_3e_3e_3e_6e_3e:Ag-H-N-O-P,72.0,ABCD2E_mP72_14_3e_3e_3e_6e_3e:Ag-H-N-O-P +mp-1204090,P6H17S6(NO)7,-5.7080394648,-0.8718268494,0.1373402563,0.1373402563,GGA,P-1,A17B7C7D6E6_aP86_2_17i_7i_7i_6i_6i:H-N-O-P-S,86.0,A17B7C7D6E6_aP86_2_17i_7i_7i_6i_6i:H-N-O-P-S +mp-707014,P2H10S4N2O,-4.9875915903,-0.623415617,0.0148756067,0.0148756067,GGA,Pbam,A10B2CD2E4_oP76_55_2g2h3i_gh_g_i_2i:H-N-O-P-S,76.0,A10B2CD2E4_oP76_55_2g2h3i_gh_g_i_2i:H-N-O-P-S +mp-695967,Ag3P6H12N3O19,-6.248292617,-1.5811585268,0.1094795621,0.1094795621,GGA,R-3,A3B12C3D19E6_hR258_148_f_4f_f_c6f_2f:Ag-H-N-O-P,86.0,A3B12C3D19E6_hR258_148_f_4f_f_c6f_2f:Ag-H-N-O-P +mp-1196083,KH2AuC4N4O,-6.823534671,-0.1791451773,0.3502037502,0.3502037502,GGA,P2_12_12_1,AB4C2DE4F_oP52_19_a_4a_2a_a_4a_a:Au-C-H-K-N-O,52.0,AB4C2DE4F_oP52_19_a_4a_2a_a_4a_a:Au-C-H-K-N-O +mp-1200086,Rb3P3H5N,-4.1446739332,-0.4378710259,0.0,-0.0772875303,GGA,Pbca,A5BC3D3_oP96_61_5c_c_3c_3c:H-N-P-Rb,96.0,A5BC3D3_oP96_61_5c_c_3c_3c:H-N-P-Rb +mp-16107,Rb3P6N11,-7.1576382321,-0.8014951605,0.0,-0.1677313038,GGA,P4_132,A11B6C3_cP80_213_cde_e_ac:N-P-Rb,80.0,"Invalid WP multiplicities - A11B6C3_cP80_213_c2d2e_e_ac:N-P-Rb, expected Rb3(P3N10)2 to be Rb3P6N11" +mp-1200508,RbPH6C2(NO)4,-6.6015473161,-1.1381996284,0.0162949688,0.0162949688,GGA,Fdd2,A2B6C4D4EF_oF144_43_b_3b_2b_2b_a_a:C-H-N-O-P-Rb,36.0,A2B6C4D4EF_oF144_43_b_3b_2b_2b_a_a:C-H-N-O-P-Rb +mp-505496,RbP4N7,-7.4380127248,-0.6889120103,0.0,-0.0110248378,GGA,Pnma,A7B4C_oP48_62_c3d_2d_c:N-P-Rb,48.0,A7B4C_oP48_62_c3d_2d_c:N-P-Rb +mp-729553,RbPNO2,-6.6893341603,-1.764592375,0.2549264173,0.2549264173,GGA,R-3,AB2CD_hR90_148_f_2f_f_f:N-O-P-Rb,30.0,AB2CD_hR90_148_f_2f_f_f:N-O-P-Rb +mp-1181350,K2CoC4S4N4O3,-6.4479246356,-0.2826122489,0.5921811976,0.5921811976,GGA+U,P2_12_12,A4BC2D4E3F4_oP36_18_2c_a_c_2c_ac_2c:C-Co-K-N-O-S,36.0,A4BC2D4E3F4_oP36_18_2c_a_c_2c_ac_2c:C-Co-K-N-O-S +mp-1181726,K2CoC4S4N4O3,-6.2539362197,-0.088623833,0.7861696134,0.7861696134,GGA+U,P2_12_12,A4BC2D4E3F4_oP36_18_2c_a_c_2c_ac_2c:C-Co-K-N-O-S,36.0,A4BC2D4E3F4_oP36_18_2c_a_c_2c_ac_2c:C-Co-K-N-O-S +mp-1196601,K2CoC4S4N4O3,-6.4822727708,-0.3169603842,0.5578330623000001,0.5578330623000001,GGA+U,P2_12_12,A4BC2D4E3F4_oP36_18_2c_a_c_2c_bc_2c:C-Co-K-N-O-S,36.0,A4BC2D4E3F4_oP36_18_2c_a_c_2c_bc_2c:C-Co-K-N-O-S +mp-1204154,K2CoC4S4N4O3,-6.4015705044,-0.2362581178,0.6385353287000001,0.6385353287000001,GGA+U,P2_12_12,A4BC2D4E3F4_oP36_18_2c_a_c_2c_bc_2c:C-Co-K-N-O-S,36.0,A4BC2D4E3F4_oP36_18_2c_a_c_2c_bc_2c:C-Co-K-N-O-S +mp-1201348,ThH18S2O17,-5.8724185036000005,-1.6395360066,0.0231847126,0.0231847126,GGA,P2_1/m,A18B17C2D_mP76_11_9f_3e7f_f_e:H-O-S-Th,76.0,A18B17C2D_mP76_11_9f_3e7f_f_e:H-O-S-Th +mp-7769,Th2SN2,-9.3704457,-2.2430144566,0.0,-0.2763989915,GGA,P-3m1,A2BC2_hP5_164_d_a_d:N-S-Th,5.0,A2BC2_hP5_164_d_a_d:N-S-Th +mp-1208149,ThH6(NO5)2,-6.5146609855,-1.5720245917,0.0193269849,0.0193269849,GGA,C2/c,A6B2C10D_mC76_15_3f_f_5f_e:H-N-O-Th,38.0,A6B2C10D_mC76_15_3f_f_5f_e:H-N-O-Th +mp-1200732,ThH28C12(N2O3)6,-6.7136592261,-1.0484126159,0.0493928711,0.0493928711,GGA,C2/c,A12B28C12D18E_mC284_15_6f_14f_6f_9f_e:C-H-N-O-Th,142.0,A12B28C12D18E_mC284_15_6f_14f_6f_9f_e:C-H-N-O-Th +mp-1204445,ThH2(SO4)3,-6.9584191828,-2.182367823,0.0019955771,0.0019955771,GGA,P-1,A2B12C3D_aP36_2_2i_12i_3i_i:H-O-S-Th,36.0,A2B12C3D_aP36_2_2i_12i_3i_i:H-O-S-Th +mp-707467,ThH20C4S2N8O15,-6.3704589445,-1.1434943261,0.1167246209,0.1167246209,GGA,C2/c,A4B20C8D15E2F_mC400_15_4f_20f_8f_15f_2f_f:C-H-N-O-S-Th,200.0,A4B20C8D15E2F_mC400_15_4f_20f_8f_15f_2f_f:C-H-N-O-S-Th +mp-1019323,Th2HN3,-8.6854472617,-1.480459375,0.0253057064,0.0253057064,GGA,P3m1,AB3C2_hP6_156_a_abc_bc:H-N-Th,6.0,AB3C2_hP6_156_a_abc_bc:H-N-Th +mp-762082,ThH10N4O17,-6.3218777886,-1.3599775857,0.0,-0.0192235432,GGA,Fdd2,A10B4C17D_oF256_43_5b_2b_a8b_a:H-N-O-Th,64.0,"Invalid WP multiplicities - A10B4C17D_oF256_43_16b_5b_2a31b_a:H-N-O-Th, expected ThH32(N5O32)2 to be ThH10N4O17" +mp-1203348,ThH2SO6,-7.2720425533,-2.4704533058,0.0,-0.0021449054,GGA,Pnma,A2B6CD_oP40_62_d_2c2d_c_c:H-O-S-Th,40.0,A2B6CD_oP40_62_d_2c2d_c_c:H-O-S-Th +mp-22310,UCrC2,-9.7754327206,0.0750143956,0.2804391644,0.2239698114,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Cr-U,16.0,A2BC_oP16_62_2c_c_c:C-Cr-U +mp-1190293,UCrC2,-10.055871885,-0.2054247688,0.0,-0.056469353,GGA,Pnma,A2BC_oP16_62_2c_c_c:C-Cr-U,16.0,A2BC_oP16_62_2c_c_c:C-Cr-U +mp-2971,U(CrC)4,-9.8150946489,-0.1686211089,0.0,-0.0220361708,GGA,I4/m,A4B4C_tI18_87_h_h_a:C-Cr-U,9.0,A4B4C_tI18_87_h_h_a:C-Cr-U +mp-1208461,UCr4H48C14(N15O11)2,-6.6987430417,-0.8090139128,0.1134500222,0.1134500222,GGA+U,P-1,A14B4C48D30E22F_aP119_2_7i_2i_24i_15i_11i_a:C-Cr-H-N-O-U,119.0,A14B4C48D30E22F_aP119_2_7i_2i_24i_15i_11i_a:C-Cr-H-N-O-U +mp-698289,BH11AuC4IN2,-5.3179068907,-0.201192969,0.2311572058,0.2311572058,GGA,P-1,ABC4D11EF2_aP40_2_ad_i_4i_11i_i_2i:Au-B-C-H-I-N,40.0,ABC4D11EF2_aP40_2_ad_i_4i_11i_i_2i:Au-B-C-H-I-N +mp-1211545,KLiPH3O3F,-5.220168231,-1.6839334753,0.3143193825,0.3143193825,GGA,P2_1/c,AB3CDE3F_mP40_14_e_3e_e_e_3e_e:F-H-K-Li-O-P,40.0,AB3CDE3F_mP40_14_e_3e_e_e_3e_e:F-H-K-Li-O-P +mp-690708,KLiPH2O4F,-6.0404289763,-2.348797954,0.0381645113,0.0381645113,GGA,P2_1/c,AB2CDE4F_mP40_14_e_2e_e_e_4e_e:F-H-K-Li-O-P,40.0,AB2CDE4F_mP40_14_e_2e_e_e_4e_e:F-H-K-Li-O-P +mp-1211997,K2GaOF5,-4.6673835794,-2.4726083055,0.2401668822,0.2401668822,GGA,C2/c,A5BC2D_mC36_15_e2f_e_f_e:F-Ga-K-O,18.0,A5BC2D_mC36_15_e2f_e_f_e:F-Ga-K-O +mp-1224478,K2GaP2H3(O4F)2,-6.2785058794,-2.4090533967,0.0,-0.0066441466,GGA,P2_1,A2BC3D2E8F2_mP36_4_2a_a_3a_2a_8a_2a:F-Ga-H-K-O-P,36.0,A2BC3D2E8F2_mP36_4_2a_a_3a_2a_8a_2a:F-Ga-H-K-O-P +mp-9332,KGaPO4F,-6.6271995191,-2.720945608,0.0,-0.0154696129,GGA,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Ga-K-O-P,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_2a_3a_3a_12a_2a:F-Ga-K-O-P, expected K3Ga3P2(O6F)2 to be KGaPO4F" +mp-1197093,K4Ga8P8O32F,-6.8887672107,-2.5080445362,0.0734885915,0.0734885915,GGA,P4_2/n,AB8C4D32E8_tP106_86_a_2g_g_8g_2g:F-Ga-K-O-P,106.0,AB8C4D32E8_tP106_86_a_2g_g_8g_2g:F-Ga-K-O-P +mp-727111,MnH16C4N(OF2)2,-5.4226792466,-0.9142477395,0.1240024867,0.1240024867,GGA+U,C2/c,A4B4C16DEF2_mC112_15_2f_2f_8f_c_e_f:C-F-H-Mn-N-O,56.0,A4B4C16DEF2_mC112_15_2f_2f_8f_a_e_f:C-F-H-Mn-N-O +mp-1215373,ZrH8C2S(OF2)2,-5.7484427878,-1.5360770581,0.099235025,0.099235025,GGA,Aea2,A2B4C8D2EF_oC144_41_2b_2a3b_8b_2b_b_b:C-F-H-O-S-Zr,72.0,A2B4C8D2EF_oC144_41_2b_2a3b_8b_2b_b_b:C-F-H-O-S-Zr +mp-5025,Zr2CS,-9.0778444437,-1.4627152889,0.0,-0.2098432586,GGA,P6_3/mmc,ABC2_hP8_194_a_c_f:C-S-Zr,8.0,ABC2_hP8_194_a_c_f:C-S-Zr +mp-540956,YH18C3S3(O2F)9,-5.7748261803,-1.6618532281,0.1438655848,0.1438655848,GGA,P6_3/m,A3B9C18D18E3F_hP104_176_h_hi_3i_2h2i_h_c:C-F-H-O-S-Y,104.0,A3B9C18D18E3F_hP104_176_h_hi_3i_2h2i_h_c:C-F-H-O-S-Y +mp-1205285,H6CIN3(OF)2,-5.5133578462,-0.8610772965,0.28321362,0.28321362,GGA,P-1,AB2C6DE3F2_aP60_2_2i_4i_12i_2i_6i_4i:C-F-H-I-N-O,60.0,AB2C6DE3F2_aP60_2_2i_4i_12i_2i_6i_4i:C-F-H-I-N-O +mp-1199286,H25C8IN2(OF2)2,-5.1551657306,-0.5281865745000001,0.2401644163,0.2401644163,GGA,C2/m,A8B4C25DE2F2_mC168_12_4i2j_2ij_g4i10j_i_2i_j:C-F-H-I-N-O,84.0,A8B4C25DE2F2_mC168_12_4i2j_2ij_g4i10j_i_2i_j:C-F-H-I-N-O +mp-1195695,H12C4IN(OF)2,-5.1268025636,-0.5289129663000001,0.3583602186,0.3583602186,GGA,C2/m,A4B2C12DEF2_mC88_12_2j_j_6j_i_g_2i:C-F-H-I-N-O,44.0,A4B2C12DEF2_mC88_12_2j_j_6j_i_g_2i:C-F-H-I-N-O +mp-1216322,WN2(OF2)2,-5.717334345,-0.4761773036,1.4282005264,1.4282005264,GGA+U,P2_1,A4B2C2D_mP18_4_4a_2a_2a_a:F-N-O-W,18.0,"Invalid WP multiplicities - A4B2C2D_mP18_4_7a_2a_2a_a:F-N-O-W, expected WN2O2F7 to be WN2(OF2)2" +mp-1179379,WN2(OF4)2,-5.5494523127,-1.3328116017,0.5650826965,0.5650826965,GGA+U,Pnma,A8B2C2D_oP52_62_2c3d_2c_2c_c:F-N-O-W,52.0,"Invalid WP multiplicities - A8B2C2D_oP52_62_8c18d_4c_4c_c:F-N-O-W, expected WN4(OF11)4 to be WN2(OF4)2" +mp-836221,WN2(OF4)2,-6.0694089698,-1.8527682588,0.0451260394,0.0451260394,GGA+U,Pnma,A8B2C2D_oP52_62_2c3d_2c_2c_c:F-N-O-W,52.0,A8B2C2D_oP52_62_2c3d_2c_2c_c:F-N-O-W +mp-1207791,WN2OF5,-5.5747911678,-0.6708796535,1.3746379171,1.3746379171,GGA+U,Cmcm,A5B2CD_oC36_63_ch_2c_c_c:F-N-O-W,,A5B2CD_oC36_63_ch_2c_c_c:F-N-O-W +mp-726858,K6W2N4O3,-6.3269268747,-0.942613543,0.2561470376,0.2561470376,GGA+U,P2_1/c,A6B4C3D2_mP30_14_3e_2e_ae_e:K-N-O-W,30.0,A6B4C3D2_mP30_14_3e_2e_ae_e:K-N-O-W +mp-651173,K3WC4N4OF,-7.4397329961,-0.7677232518,0.2491508993,0.2491508993,GGA+U,P-1,A4BC3D4EF_aP28_2_4i_i_3i_4i_i_i:C-F-K-N-O-W,28.0,"Invalid WP multiplicities - A4BC3D4EF_aP28_2_7i_i_3i_7i_i_i:C-F-K-N-O-W, expected K3WC7N7OF to be K3WC4N4OF" +mp-558968,Mn2P2C12S(O2F3)4,-6.8148264605,-1.2326013612,0.6178311868,0.6178311868,GGA+U,Pna2_1,A12B12C2D8E2F_oP148_33_12a_12a_2a_8a_2a_a:C-F-Mn-O-P-S,148.0,"Invalid WP multiplicities - A12B12C2D8E2F_oP148_33_42a_44a_6a_29a_7a_a:C-F-Mn-O-P-S, expected Mn6P7C42SO29F44 to be Mn2P2C12S(O2F3)4" +mp-699914,Mn2PC11SO8F9,-6.9942912198,-1.1766061019,0.605342307,0.605342307,GGA+U,P2_1/c,A11B9C2D8EF_mP128_14_11e_9e_2e_8e_e_e:C-F-Mn-O-P-S,128.0,"Invalid WP multiplicities - A11B9C2D8EF_mP128_14_38e_32e_5e_29e_e_e:C-F-Mn-O-P-S, expected Mn5PC38SO29F32 to be Mn2PC11SO8F9" +mp-1203131,SrPH7CO6,-5.7286239862,-1.3685817341,0.3851471841,0.3851471841,GGA,Pbca,AB7C6DE_oP128_61_c_7c_6c_c_c:C-H-O-P-Sr,128.0,AB7C6DE_oP128_61_c_7c_6c_c_c:C-H-O-P-Sr +mp-1202041,SrP3H10C3NO9,-6.3615572857,-1.4578776107,0.1161335263,0.1161335263,GGA,P2_1/c,A3B10CD9E3F_mP108_14_3e_10e_e_9e_3e_e:C-H-N-O-P-Sr,108.0,A3B10CD9E3F_mP108_14_3e_10e_e_9e_3e_e:C-H-N-O-P-Sr +mp-559393,K2CS2(O3F)2,-6.0428833275,-1.9486176873,0.1713091564,0.1713091564,GGA,P2_1/c,AB2C2D6E2_mP52_14_e_2e_2e_6e_2e:C-F-K-O-S,52.0,"Invalid WP multiplicities - AB2C2D6E2_mP52_14_e_5e_5e_18e_5e:C-F-K-O-S, expected K5CS5O18F5 to be K2CS2(O3F)2" +mp-1211718,KH4C6O3F5,-6.2096877218,-1.2385952454,0.2914409616,0.2914409616,GGA,C2/c,A6B5C4DE3_mC76_15_2e2f_e2f_2f_e_ef:C-F-H-K-O,38.0,A6B5C4DE3_mC76_15_2e2f_e2f_2f_e_ef:C-F-H-K-O +mp-1191702,K2H3CO4F,-5.8525124055,-1.913796466,0.0,-0.0013418889,GGA,P2_1/m,ABC3D2E4_mP22_11_e_e_3e_f_4e:C-F-H-K-O,22.0,ABC3D2E4_mP22_11_e_e_3e_f_4e:C-F-H-K-O +mp-559646,KCS(OF)3,-5.8983472211,-2.0039008497,0.1335114356,0.1335114356,GGA,P2_1,AB3CD3E_mP54_4_3a_9a_3a_9a_3a:C-F-K-O-S,54.0,"Invalid WP multiplicities - AB3CD3E_mP54_4_6a_16a_4a_18a_5a:C-F-K-O-S, expected K4C6S5(O9F8)2 to be KCS(OF)3" +mp-699253,K2H2C3S2O7F6,-5.8931763676,-1.7540472322,0.2532316949,0.2532316949,GGA,P2_1/c,A3B6C2D2E7F2_mP88_14_3e_6e_2e_2e_7e_2e:C-F-H-K-O-S,88.0,A3B6C2D2E7F2_mP88_14_3e_6e_2e_2e_7e_2e:C-F-H-K-O-S +mp-6902,KC2S2N(O2F3)2,-5.8883509893,-1.6738039117,0.2240310522,0.2240310522,GGA,Pbcn,A2B6CDE4F2_oP256_60_4d_12d_2d_2d_8d_4d:C-F-K-N-O-S,256.0,A2B6CDE4F2_oP256_60_4d_12d_2d_2d_8d_4d:C-F-K-N-O-S +mp-555146,KCS2N(O2F)2,-6.0098032723,-1.4136058288,0.3546657398,0.3546657398,GGA,Pna2_1,AB2CDE4F2_oP88_33_2a_4a_2a_2a_8a_4a:C-F-K-N-O-S,88.0,"Invalid WP multiplicities - AB2CDE4F2_oP88_33_6a_13a_5a_2a_29a_14a:C-F-K-N-O-S, expected K5C6S14N2O29F13 to be KCS2N(O2F)2" +mp-1199269,KS2N(O2F)2,-5.9027424085,-1.7697917699,0.0901648296,0.0901648296,GGA,P2_1/c,A2BCD4E2_mP80_14_4e_2e_2e_8e_4e:F-K-N-O-S,80.0,A2BCD4E2_mP80_14_4e_2e_2e_8e_4e:F-K-N-O-S +mp-652068,KS2N(O2F)2,-5.9023368191,-1.7693861805000002,0.090570419,0.090570419,GGA,Pbca,A2BCD4E2_oP160_61_4c_2c_2c_8c_4c:F-K-N-O-S,160.0,"Invalid WP multiplicities - A2BCD4E2_oP160_61_22c_10c_6c_58c_23c:F-K-N-O-S, expected K10S23N6(O29F11)2 to be KS2N(O2F)2" +mp-27848,TiIN,-7.3161894667,-1.4144050361,0.0,-0.000178488,GGA,Pmmn,ABC_oP6_59_a_a_b:I-N-Ti,6.0,ABC_oP6_59_a_a_b:I-N-Ti +mp-1203248,TiH24C6I3(N2O)6,-6.1345742539,-0.7724380911000001,0.0291537882,0.0291537882,GGA,R-3c,A6B24C3D12E6F_hR312_167_f_4f_e_2f_f_a:C-H-I-N-O-Ti,104.0,A6B24C3D12E6F_hR312_167_f_4f_e_2f_f_a:C-H-I-N-O-Ti +mp-1181216,LaH2SNO7,-6.4570798942,-1.555311147,0.4559837629,0.4559837629,GGA,P4_1,A2BCD7E_tP48_76_2a_a_a_7a_a:H-La-N-O-S,48.0,A2BCD7E_tP48_76_2a_a_a_7a_a:H-La-N-O-S +mp-1182804,LaH2SNO7,-6.2059594902,-1.3041907431,0.7071041668,0.7071041668,GGA,P4_1,A2BCD7E_tP48_76_2a_a_a_7a_a:H-La-N-O-S,48.0,"Invalid WP multiplicities - A2BCD7E_tP48_76_6a_a_a_27a_a:H-La-N-O-S, expected LaH6SNO27 to be LaH2SNO7" +mp-1203814,LaH2SNO7,-6.7019988767,-1.8002301295,0.2110647804,0.2110647804,GGA,P4_1,A2BCD7E_tP48_76_2a_a_a_7a_a:H-La-N-O-S,48.0,A2BCD7E_tP48_76_2a_a_a_7a_a:H-La-N-O-S +mp-1019896,La5S4NO2,-7.7835235654,-2.8288812871,0.0043873808,0.0043873808,GGA,C2/m,A5BC2D4_mC48_12_5i_i_2i_4i:La-N-O-S,24.0,A5BC2D4_mC48_12_5i_i_2i_4i:La-N-O-S +mp-707989,LaH12S2NO12,-5.5541004553,-1.2105869253,0.4423772463,0.4423772463,GGA,P2_1/c,A12BCD12E2_mP112_14_12e_e_e_12e_2e:H-La-N-O-S,112.0,A12BCD12E2_mP112_14_12e_e_e_12e_2e:H-La-N-O-S +mp-759211,La2H22S6N6O23,-6.0776671777,-1.4484553758,0.0839364881,0.0839364881,GGA,C2/c,A22B2C6D23E6_mC236_15_11f_f_3f_e11f_3f:H-La-N-O-S,118.0,"Invalid WP multiplicities - A22B2C6D23E6_mC236_15_39f_f_11f_2e43f_11f:H-La-N-O-S, expected LaH39S11(NO4)11 to be La2H22S6N6O23" +mp-695536,LaH6S3(NO3)3,-6.3753101618,-1.5011557913,0.0933534039,0.0933534039,GGA,P1,A6BC3D9E3_aP44_1_12a_2a_6a_18a_6a:H-La-N-O-S,44.0,A6BC3D9E3_aP44_1_12a_2a_6a_18a_6a:H-La-N-O-S +mp-1223775,LaH6S3(NO3)3,-6.3800440075,-1.505889637,0.0886195582,0.0886195582,GGA,P6_3,A6BC3D9E3_hP44_173_2c_b_c_3c_c:H-La-N-O-S,44.0,A6BC3D9E3_hP44_173_2c_b_c_3c_c:H-La-N-O-S +mp-558126,LaH4S2NO8,-6.5992602622,-1.9311467851,0.0,-0.0091738483,GGA,P2_1/m,A4BCD8E2_mP32_11_2ef_e_e_4e2f_2e:H-La-N-O-S,32.0,"Invalid WP multiplicities - A4BCD8E2_mP32_11_4e2f_e_e_8e8f_3e:H-La-N-O-S, expected LaH8S3NO24 to be LaH4S2NO8" +mp-1199356,LaH6C2SNO9,-6.7570653579,-1.7199234802,0.020322918,0.020322918,GGA,P2_1/c,A2B6CDE9F_mP80_14_2e_6e_e_e_9e_e:C-H-La-N-O-S,80.0,A2B6CDE9F_mP80_14_2e_6e_e_e_9e_e:C-H-La-N-O-S +mp-736245,LaS4N5O16,-5.8788239927,-0.405312432,1.1696061743,1.1696061743,GGA,C2/c,AB5C16D4_mC104_15_e_e2f_8f_2f:La-N-O-S,52.0,"Invalid WP multiplicities - AB5C16D4_mC104_15_e_e2f_16f_4f:La-N-O-S, expected LaS8N5O32 to be LaS4N5O16" +mp-732121,LaS2NO8,-6.7422702062,-1.6490275851,0.539241739,0.539241739,GGA,Pc,ABC8D2_mP24_7_a_a_8a_2a:La-N-O-S,24.0,ABC8D2_mP24_7_a_a_8a_2a:La-N-O-S +mp-1195376,LaH2S2NO9,-6.4668010905,-1.6100642735,0.4229449331,0.4229449331,GGA,P2_1/c,A2BCD9E2_mP60_14_2e_e_e_9e_2e:H-La-N-O-S,60.0,A2BCD9E2_mP60_14_2e_e_e_9e_2e:H-La-N-O-S +mp-735597,K4H4WC8(N4O)2,-7.1144931507,-0.3965194115,0.2490475975,0.2490475975,GGA+U,Pnma,A8B4C4D8E2F_oP108_62_4c2d_2d_2cd_4c2d_d_c:C-H-K-N-O-W,108.0,A8B4C4D8E2F_oP108_62_4c2d_2d_2cd_4c2d_d_c:C-H-K-N-O-W +mp-1197598,YH6C2SNO9,-6.8265554886,-1.7128904106,0.0356079126,0.0356079126,GGA,P2_1/c,A2B6CD9EF_mP80_14_2e_6e_e_9e_e_e:C-H-N-O-S-Y,80.0,A2B6CD9EF_mP80_14_2e_6e_e_9e_e_e:C-H-N-O-S-Y +mp-1246909,Y4S3N2,-8.2858177489,-2.1804595373,0.0,-0.0305049928,GGA,C2/m,A2B3C4_mC18_12_i_ai_2i:N-S-Y,9.0,A2B3C4_mC18_12_i_ai_2i:N-S-Y +mp-1246514,Y4S3N2,-8.24436658,-2.1390083684,0.0414511689,0.0109461761,GGA,Pnnm,A2B3C4_oP18_58_g_ag_2g:N-S-Y,18.0,A2B3C4_oP18_58_g_ag_2g:N-S-Y +mp-1246598,Y4S3N2,-8.2055778289,-2.1002196173,0.08023992,0.0497349272,GGA,Pnma,A2B3C4_oP36_62_d_cd_2cd:N-S-Y,36.0,A2B3C4_oP36_62_d_cd_2cd:N-S-Y +mp-709428,YH8C2S2NO9,-6.0657169012,-1.1441863134,0.4490579147,0.4490579147,GGA,P2_1/c,A2B8CD9E2F_mP92_14_2e_8e_e_9e_2e_e:C-H-N-O-S-Y,92.0,A2B8CD9E2F_mP92_14_2e_8e_e_9e_2e_e:C-H-N-O-S-Y +mp-1196729,PH30W12C9N3O40,-7.3225418865,-1.3369874731,0.1218961415,0.1218961415,GGA+U,R-3,A9B30C3D40EF12_hR570_148_3f_10f_f_c13f_c_4f:C-H-N-O-P-W,190.0,A9B30C3D40EF12_hR570_148_3f_10f_f_c13f_c_4f:C-H-N-O-P-W +mp-1180044,PH24W12C6N3O40,-7.5246907629,-1.4713731289,0.1004323662,0.1004323662,GGA+U,R-3m,A6B24C3D40EF12_hR516_166_2h_2h3i_h_c7h3i_c_2hi:C-H-N-O-P-W,172.0,A6B24C3D40EF12_hR516_166_2h_2h3i_h_c7h3i_c_2hi:C-H-N-O-P-W +mp-1207936,VBP2NO9,-7.7004921423,-2.0257352723,0.4099608129,0.4099608129,GGA+U,P2_1/c,ABC9D2E_mP56_14_e_e_9e_2e_e:B-N-O-P-V,56.0,ABC9D2E_mP56_14_e_e_9e_2e_e:B-N-O-P-V +mp-24710,VBP2H5NO9,-7.1463349957,-2.0721125533,0.0,-0.0165989785,GGA+U,P2_1/c,AB5CD9E2F_mP76_14_e_5e_e_9e_2e_e:B-H-N-O-P-V,76.0,"Invalid WP multiplicities - AB5CD9E2F_mP76_14_e_7e_e_14e_2e_e:B-H-N-O-P-V, expected VBP2H7NO14 to be VBP2H5NO9" +mp-1223712,KH8WN2(OF)3,-5.8311078511000005,-1.4723394943,0.0574247714,0.0574247714,GGA+U,Pc,A3B8CD2E3F_mP36_7_3a_8a_a_2a_3a_a:F-H-K-N-O-W,36.0,A3B8CD2E3F_mP36_7_3a_8a_a_2a_3a_a:F-H-K-N-O-W +mp-1223558,KH8WN2(OF)3,-5.8042443622,-1.4454760054,0.0842882603,0.0842882603,GGA+U,Fmm2,A3B8CD2E3F_oF72_42_ac_2e_a_b_ad_a:F-H-K-N-O-W,18.0,"Invalid WP multiplicities - A3B8CD2E3F_oF72_42_a2c_7e_a_b_a2d_a:F-H-K-N-O-W, expected KH28WN2(OF)5 to be KH8WN2(OF)3" +mp-1211841,KH8W(NF3)2,-5.4970174989,-1.6441174327,0.0,-0.0383837243,GGA+U,P2_1/c,A6B8CD2E_mP36_14_3e_4e_a_e_d:F-H-K-N-W,36.0,A6B8CD2E_mP36_14_3e_4e_a_e_d:F-H-K-N-W +mp-1211501,KH8W(NF3)2,-5.44337599,-1.5904759238,0.0536415089,0.0152577846,GGA+U,Fm-3m,A6B8CD2E_cF72_225_e_f_a_c_b:F-H-K-N-W,18.0,A6B8CD2E_cF72_225_e_f_a_c_b:F-H-K-N-W +mp-726011,H12WN3(OF)3,-5.6243008473,-1.112717639,0.1586876521,0.1586876521,GGA+U,P1,A3B12C3D3E_aP22_1_3a_12a_3a_3a_a:F-H-N-O-W,22.0,A3B12C3D3E_aP22_1_3a_12a_3a_3a_a:F-H-N-O-W +mp-735688,H12WN3O3F5,-5.4958644406,-1.2009565857,0.2092965115,0.2092965115,GGA+U,Pbca,A5B12C3D3E_oP192_61_5c_12c_3c_3c_c:F-H-N-O-W,192.0,A5B12C3D3E_oP192_61_5c_12c_3c_3c_c:F-H-N-O-W +mp-1218785,Sr8Ca3NdTl2Cu8(PbO14)2,-6.1188421113,-2.1236034112,0.021767631,0.021767631,GGA,Fmmm,A3B8CD28E2F8G2_oF208_69_ae_mn_b_fimn2p_c_2ij_d:Ca-Cu-Nd-O-Pb-Sr-Tl,52.0,"Invalid WP multiplicities - A3B8CD28E2F8G2_oF208_69_ae_2m3n_b_f2i2m3n11p_d_3i2j_c:Ca-Cu-Nd-O-Pb-Sr-Tl, expected Sr14Ca3NdTl2Cu20(PbO57)2 to be Sr8Ca3NdTl2Cu8(PbO14)2" +mp-1227788,Ca2(TlPb)3,-3.0704728825,-0.2908390812,0.0,-0.0223127937,GGA,Pmmm,A2B3C3_oP8_47_i_cl_def:Ca-Pb-Tl,8.0,A2B3C3_oP8_47_i_cl_def:Ca-Pb-Tl +mp-1096691,Sr2TlPb,-1.2234519175,1.1401173633,1.63226536,1.6278608363,GGA,Immm,AB2C_oI8_71_a_e_b:Pb-Sr-Tl,4.0,AB2C_oI8_71_a_e_b:Pb-Sr-Tl +mp-1187124,Sr2TlPb,-2.8557172775,-0.4921479967,0.0,-0.0044045237,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Pb-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Pb-Sr-Tl +mp-861604,Ca2TlPb,-3.019008095,-0.4973856008,0.0,-0.01424871,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Ca-Pb-Tl,4.0,A2BC_cF16_225_c_a_b:Ca-Pb-Tl +mp-1173221,Sr4Ca2TlCu4PbO14,-6.019611945,-2.0774991593,0.0256734232,0.0256734232,GGA,I4/mmm,A2B4C14DE4F_tI52_139_d_2e_c2em_a_g_b:Ca-Cu-O-Pb-Sr-Tl,26.0,"Invalid WP multiplicities - A2B4C14DE4F_tI52_139_d_3e_c3em_a_g_b:Ca-Cu-O-Pb-Sr-Tl, expected Sr4Ca2TlCu6PbO16 to be Sr4Ca2TlCu4PbO14" +mp-1218759,Sr2NdTlCu2O7,-6.3243354954,-2.2216422796,0.0043511971,0.0043511971,GGA,Pmm2,A2BC7D2E_oP13_25_f_c_ae2f_e_b:Cu-Nd-O-Sr-Tl,13.0,"Invalid WP multiplicities - A2BC7D2E_oP13_25_f_c_a2e3f_e_b:Cu-Nd-O-Sr-Tl, expected Sr2NdTlCu2O11 to be Sr2NdTlCu2O7" +mp-1097156,CaTl2Pb,-1.49813715,1.1127461608,1.3888787042,1.3888787042,GGA,Immm,ABC2_oI8_71_a_b_e:Ca-Pb-Tl,4.0,ABC2_oI8_71_a_b_e:Ca-Pb-Tl +mp-862746,Sr2LiTl,-2.148401835,-0.235763605,0.0,-0.0157923106,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Li-Sr-Tl,4.0,AB2C_cF16_225_a_c_b:Li-Sr-Tl +mp-1228286,Ba3SrNd2(Cu3O7)2,-6.4218154373,-2.159061779,0.0269844637,0.0269844637,GGA,Pmm2,A3B6C2D14E_oP26_25_3a_6d_2a_5b5c4d_a:Ba-Cu-Nd-O-Sr,26.0,A3B6C2D14E_oP26_25_3a_6d_2a_5b5c4d_a:Ba-Cu-Nd-O-Sr +mp-1235507,BaSrLiNdTlCu2O7,-6.0025951179,-2.0402082494,0.1770840508,0.1770840508,GGA,P1,AB2CDE7FG_aP14_1_a_2a_a_a_7a_a_a:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_aP14_1_a_2a_a_a_7a_a_a:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1235732,BaSrLiNdTlCu2O7,-6.0853029964,-2.122916128,0.0943761722,0.0943761722,GGA,P1,AB2CDE7FG_aP14_1_a_2a_a_a_7a_a_a:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_aP14_1_a_2a_a_a_7a_a_a:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1235195,BaSrLiNdTlCu2O7,-6.0351233464,-2.072736478,0.1445558222,0.1445558222,GGA,Pm,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1235341,BaSrLiNdTlCu2O7,-5.9951918964,-2.032805028,0.1844872722,0.1844872722,GGA,Pm,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1235631,BaSrLiNdTlCu2O7,-6.0656654971,-2.1032786287,0.1140136715,0.1140136715,GGA,Pm,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1235697,BaSrLiNdTlCu2O7,-6.0717504757,-2.1093636073,0.1079286929,0.1079286929,GGA,Pm,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1236476,BaSrLiNdTlCu2O7,-6.0304855514,-2.068098683,0.1491936172,0.1491936172,GGA,Pm,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl,14.0,AB2CDE7FG_mP14_6_a_2b_a_a_3a4b_a_b:Ba-Cu-Li-Nd-O-Sr-Tl +mp-1097176,SrLiTl2,-0.9978864575,1.0830391958,1.4130688425,1.4130688425,GGA,Immm,ABC2_oI8_71_a_b_e:Li-Sr-Tl,4.0,ABC2_oI8_71_a_b_e:Li-Sr-Tl +mp-756531,LiNd6(CuO6)2,-7.7246042643,-3.0542954387,0.025656944,0.025656944,GGA,C2/m,A2BC6D12_mC42_12_i_a_3i_fh2j:Cu-Li-Nd-O,21.0,"Invalid WP multiplicities - A2BC6D12_mC42_12_i_a_5i_2e2h8j:Cu-Li-Nd-O, expected LiNd10(CuO20)2 to be LiNd6(CuO6)2" +mp-1097264,BaSrLi2,-0.6368023425,1.2197761892,1.2221261304,1.2221261304,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Li-Sr,4.0,AB2C_oI8_71_a_e_b:Ba-Li-Sr +mp-1096688,Ba2LiTl,-1.010216145,1.0171628283,1.1913886583,1.1913886583,GGA,Immm,A2BC_oI8_71_e_a_b:Ba-Li-Tl,4.0,A2BC_oI8_71_e_a_b:Ba-Li-Tl +mp-532816,Ba5Sr2Nd8(CuO5)5,-7.2087751428,-2.8691686495,0.0057079413,0.0057079413,GGA,Pbam,A5B5C8D25E2_oP90_55_a2g_c2g_4h_b2h5i_h:Ba-Cu-Nd-O-Sr,90.0,"Invalid WP multiplicities - A5B5C8D25E2_oP90_55_2a7g_2c5g_13h_2b5h34i_h:Ba-Cu-Nd-O-Sr, expected Ba8SrNd13(Cu3O37)2 to be Ba5Sr2Nd8(CuO5)5" +mp-1227498,BaSrNdCu3O7,-6.4217751785,-2.1678477312,0.0299344052,0.0299344052,GGA,Pmm2,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Nd-O-Sr,13.0,AB3CD7E_oP13_25_a_3d_a_2b3c2d_a:Ba-Cu-Nd-O-Sr +mp-1228402,Ba2NdTlCu2O7,-6.3197864108,-2.1817883509,0.0,-0.003398188,GGA,Pmm2,A2B2CD7E_oP13_25_e_f_c_ae2f_b:Ba-Cu-Nd-O-Tl,13.0,"Invalid WP multiplicities - A2B2CD7E_oP13_25_e_f_c_a2e3f_b:Ba-Cu-Nd-O-Tl, expected Ba2NdTlCu2O11 to be Ba2NdTlCu2O7" +mp-1227445,BaSrNdTlCu2O7,-6.3218638262,-2.2015181884,0.0031775259,0.0031775259,GGA,Pm,AB2CD7EF_mP13_6_a_2b_a_3a4b_a_b:Ba-Cu-Nd-O-Sr-Tl,13.0,AB2CD7EF_mP13_6_a_2b_a_3a4b_a_b:Ba-Cu-Nd-O-Sr-Tl +mp-766561,LiNd14(Cu3O14)2,-7.7412492333,-3.0113408484,0.0093425136,0.0093425136,GGA,C2/m,A6BC14D28_mC98_12_3i_c_h3j_abg6i3j:Cu-Li-Nd-O,49.0,"Invalid WP multiplicities - A6BC14D28_mC98_12_6i_c_h5j_ab2g11i9j:Cu-Li-Nd-O, expected LiNd22(Cu3O16)4 to be LiNd14(Cu3O14)2" +mp-1095765,SrLi2Tl,-0.90580747,1.0616881133,1.29429204,1.29429204,GGA,Immm,A2BC_oI8_71_e_a_b:Li-Sr-Tl,4.0,A2BC_oI8_71_e_a_b:Li-Sr-Tl +mp-1096003,BaLi2Tl,-0.907987695,1.11687826,1.3187132992,1.3187132992,GGA,Immm,AB2C_oI8_71_a_e_b:Ba-Li-Tl,4.0,AB2C_oI8_71_a_e_b:Ba-Li-Tl +mp-1195775,BPH4NO4F,-6.5636462396,-1.9221189733,0.0,-0.005937765,GGA,P2_13,ABC4DE4F_cP48_198_a_a_ab_a_ab_a:B-F-H-N-O-P,48.0,ABC4DE4F_cP48_198_a_a_ab_a_ab_a:B-F-H-N-O-P +mp-1224741,Gd2TiCuO6,-10.151818449,-3.1691109056,0.0829125515,0.0829125515,GGA,P2_1/c,AB2C6D_mP20_14_a_e_3e_d:Cu-Gd-O-Ti,20.0,"Invalid WP multiplicities - AB2C6D_mP20_14_a_e_5e_b:Cu-Gd-O-Ti, expected Gd2TiCuO10 to be Gd2TiCuO6" +mp-677234,Ce8Gd2O19,-9.7437661166,-3.8953508326,0.0282473391,0.0282473391,GGA,P-4m2,A8B2C19_tP29_115_4g_g_abc4e4f:Ce-Gd-O,29.0,"Invalid WP multiplicities - A8B2C19_tP29_115_7g_g_abc8e8f:Ce-Gd-O, expected Ce14Gd2O35 to be Ce8Gd2O19" +mp-753088,Ce5Gd2O13,-9.9927614055,-3.8865292304,0.0344980347,0.0344980347,GGA,R3m,A5B2C13_hR60_160_5a_2a_13a:Ce-Gd-O,20.0,A5B2C13_hR60_160_5a_2a_13a:Ce-Gd-O +mp-1229315,Ce2Gd2O7,-10.636456797,-3.8505255453,0.0637238752,0.0637238752,GGA,C2,A2B2C7_mC88_5_ab3c_ab3c_14c:Ce-Gd-O,44.0,"Invalid WP multiplicities - A2B2C7_mC88_5_ab5c_ab5c_26c:Ce-Gd-O, expected Ce3Gd3O13 to be Ce2Gd2O7" +mp-1226218,Gd2Ti12(CuO4)9,-8.4423367181,-2.7156960009,0.0503578679,0.0503578679,GGA,P-3,A9B2C36D12_hP59_147_fg_d_6g_adeg:Cu-Gd-O-Ti,59.0,"Invalid WP multiplicities - A9B2C36D12_hP59_147_3f4g_d_32g_ad3e3g:Cu-Gd-O-Ti, expected Gd2Ti30(Cu11O64)3 to be Gd2Ti12(CuO4)9" +mp-997498,Ce4GdO9,-9.78374764,-3.9031278356,0.0274107834,0.0274107834,GGA,Imm2,A4BC9_oI28_44_2c_a_b4c:Ce-Gd-O,14.0,"Invalid WP multiplicities - A4BC9_oI28_44_3c_a_b8c:Ce-Gd-O, expected Ce6GdO17 to be Ce4GdO9" +mp-1521898,BaCaCeTiO6,-8.181050932,-3.4377221061,0.1508858541,0.1508858541,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Ti,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ba-Ca-Ce-O-Ti +mp-675102,Ce9GdO20,-9.3945934593,-3.847670164,0.0133912678,0.0133912678,GGA,P-1,A9BC20_aP30_2_a4i_c_10i:Ce-Gd-O,30.0,"Invalid WP multiplicities - A9BC20_aP30_2_a7i_c_18i:Ce-Gd-O, expected Ce15GdO36 to be Ce9GdO20" +mp-685970,Ce14Gd18O55,-10.8516428883,-3.8573747548,0.0547971655,0.0547971655,GGA,P1,A14B18C55_aP87_1_14a_18a_55a:Ce-Gd-O,87.0,A14B18C55_aP87_1_14a_18a_55a:Ce-Gd-O +mp-1229095,Ba2CaCeGd2Ti2(CuO7)2,-8.710533528300001,-3.1617034148,0.0365399058,0.0365399058,GGA,P4mm,A2BCD2E2F14G2_tP24_99_ab_a_b_ab_ab_2a2b5c_ab:Ba-Ca-Ce-Cu-Gd-O-Ti,24.0,A2BCD2E2F14G2_tP24_99_ab_a_b_ab_ab_2a2b5c_ab:Ba-Ca-Ce-Cu-Gd-O-Ti +mp-1207872,VH4C4O6F,-7.0595775113,-1.3620097953,0.1550775111,0.1550775111,GGA+U,P2_1/c,A4BC4D6E_mP32_14_2e_a_2e_3e_b:C-F-H-O-V,32.0,A4BC4D6E_mP32_14_2e_a_2e_3e_b:C-F-H-O-V +mp-1198308,V2H12C4S4O15,-6.2067037658,-1.1650465554,0.2987833257,0.2987833257,GGA+U,C2/c,A4B12C15D4E2_mC148_15_2f_6f_e7f_2f_f:C-H-O-S-V,74.0,A4B12C15D4E2_mC148_15_2f_6f_e7f_2f_f:C-H-O-S-V +mp-699429,VH12C2S2(O2F)6,-5.7885701063,-1.57839903,0.1599732072,0.1599732072,GGA+U,C2/m,A2B6C12D12E2F_mC70_12_i_ij_3j_2i2j_i_a:C-F-H-O-S-V,35.0,A2B6C12D12E2F_mC70_12_i_ij_3j_2i2j_i_a:C-F-H-O-S-V +mp-1200671,VH10C2S2(O2F)6,-5.884024472,-1.6243112726,0.1650534544,0.1650534544,GGA+U,P2_1/m,A2B6C10D12E2F_mP66_11_2e_2e2f_5f_4e4f_2e_e:C-F-H-O-S-V,66.0,A2B6C10D12E2F_mP66_11_2e_2e2f_5f_4e4f_2e_e:C-F-H-O-S-V +mp-1202628,VH6C2S2O7,-6.2232105725,-1.1789153482,0.2524959951,0.2524959951,GGA+U,P2_1/c,A2B6C7D2E_mP72_14_2e_6e_7e_2e_e:C-H-O-S-V,72.0,A2B6C7D2E_mP72_14_2e_6e_7e_2e_e:C-H-O-S-V +mp-1197884,VH17C4S4(O5F3)4,-5.7906318019,-1.6166277999999998,0.1387037423,0.1387037423,GGA+U,P-1,A4B12C17D20E4F_aP58_2_2i_6i_a8i_10i_2i_e:C-F-H-O-S-V,58.0,A4B12C17D20E4F_aP58_2_2i_6i_a8i_10i_2i_e:C-F-H-O-S-V +mp-1201380,VH17C4S4(O5F3)4,-5.7815160476,-1.6075120457,0.1478194966,0.1478194966,GGA+U,P-1,A4B12C17D20E4F_aP58_2_2i_6i_a8i_10i_2i_e:C-F-H-O-S-V,58.0,A4B12C17D20E4F_aP58_2_2i_6i_a8i_10i_2i_e:C-F-H-O-S-V +mp-1198829,BH7C2N4OF4,-6.3046601207,-1.3139027863,0.0146020329,0.0146020329,GGA,P2_1/c,AB2C4D7E4F_mP76_14_e_2e_4e_7e_4e_e:B-C-F-H-N-O,76.0,AB2C4D7E4F_mP76_14_e_2e_4e_7e_4e_e:B-C-F-H-N-O +mp-722910,K2B6H5NO2,-5.3605769038,-0.5174112105,0.6180429376000001,0.6180429376000001,GGA,Cmcm,A6B5C2DE2_oC64_63_2ch_ch_ac_c_g:B-H-K-N-O,32.0,A6B5C2DE2_oC64_63_2ch_ch_ac_c_g:B-H-K-N-O +mp-1199292,KBH4C4(N2O)4,-7.0136416627,-0.4339111576,0.4822834759,0.4822834759,GGA,P2_1/c,AB4C4DE8F4_mP88_14_e_4e_4e_e_8e_4e:B-C-H-K-N-O,88.0,AB4C4DE8F4_mP88_14_e_4e_4e_e_8e_4e:B-C-H-K-N-O +mp-1195330,KB11H13C2NO,-5.6080135776,-0.4207838661,0.1430205983,0.1430205983,GGA,C2/m,A11B2C13DEF_mC116_12_3i4j_2i_5i4j_i_i_i:B-C-H-K-N-O,58.0,A11B2C13DEF_mC116_12_3i4j_2i_5i4j_i_i_i:B-C-H-K-N-O +mp-559030,KB(CO2)4,-7.8846034589,-1.8647490034,0.0540689855,0.0540689855,GGA,Cmcm,AB4CD8_oC56_63_c_fg_c_2f2g:B-C-K-O,28.0,"Invalid WP multiplicities - AB4CD8_oC56_63_c_3f2g_c_7f6g:B-C-K-O, expected KB(C5O13)2 to be KB(CO2)4" +mp-567593,KBH4(CN4)2,-6.8885312778,-0.2316571976,0.2544696719,0.2544696719,GGA,P2_1/c,AB2C4DE8_mP64_14_e_2e_4e_e_8e:B-C-H-K-N,64.0,"Invalid WP multiplicities - AB2C4DE8_mP64_14_e_6e_15e_e_29e:B-C-H-K-N, expected KBH15C6N29 to be KBH4(CN4)2" +mp-1203671,KBH5N,-4.5749676811,-0.4387281976,0.1025129349,0.1025129349,GGA,Pbca,AB5CD_oP128_61_2c_10c_2c_2c:B-H-K-N,128.0,AB5CD_oP128_61_2c_10c_2c_2c:B-H-K-N +mp-1219942,Sr2YCu2BiPbO8,-6.6003865803,-2.2556854303,0.0,-0.0071462486,GGA,P2_1/c,AB2C8DE2F_mP60_14_e_2e_8e_e_2e_e:Bi-Cu-O-Pb-Sr-Y,60.0,"Invalid WP multiplicities - AB2C8DE2F_mP60_14_e_5e_20e_e_5e_e:Bi-Cu-O-Pb-Sr-Y, expected Sr5YCu5BiPbO20 to be Sr2YCu2BiPbO8" +mp-1218640,Sr2YCu2BiPbO8,-6.5119378827,-2.1672367327,0.0884486977,0.0813024491,GGA,I4mm,AB2C8DE2F_tI30_107_a_2a_4a2b_a_2a_a:Bi-Cu-O-Pb-Sr-Y,15.0,"Invalid WP multiplicities - AB2C8DE2F_tI30_107_a_2a_4a3b_a_2a_a:Bi-Cu-O-Pb-Sr-Y, expected Sr2YCu2BiPbO10 to be Sr2YCu2BiPbO8" +mp-1234001,CaY4(BiO3)4,-7.5464621262,-2.6610475839000003,0.2124687579,0.2124687579,GGA,P1,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Ca-O-Y,21.0,A4BC12D4_aP21_1_4a_a_12a_4a:Bi-Ca-O-Y +mp-1233241,CaY4(BiO3)4,-7.4433076219,-2.5578930796,0.3156232621,0.3156232621,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Bi-Ca-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Bi-Ca-O-Y, expected CaY4(BiO3)6 to be CaY4(BiO3)4" +mp-1233469,CaY4(BiO3)4,-7.452386661,-2.5669721187,0.3065442231,0.3065442231,GGA,Pm,A4BC12D4_mP21_6_2c_a_2a2b4c_2a2b:Bi-Ca-O-Y,21.0,"Invalid WP multiplicities - A4BC12D4_mP21_6_3c_a_2a2b7c_2a2b:Bi-Ca-O-Y, expected CaY4(BiO3)6 to be CaY4(BiO3)4" +mp-1218734,Sr4CaYCu6(PbO4)4,-6.1755628781,-1.9935974879,0.0222568173,0.0222568173,GGA,P-1,AB6C16D4E4F_aP32_2_a_bh2i_8i_2i_2i_e:Ca-Cu-O-Pb-Sr-Y,32.0,AB6C16D4E4F_aP32_2_a_bh2i_8i_2i_2i_e:Ca-Cu-O-Pb-Sr-Y +mp-1218685,Sr4CaYCu6(PbO4)4,-6.17056524,-1.9885998498,0.0272544554,0.0272544554,GGA,I4/mmm,AB6C16D4E4F_tI64_139_a_eg_2egm_g_2e_b:Ca-Cu-O-Pb-Sr-Y,32.0,"Invalid WP multiplicities - AB6C16D4E4F_tI64_139_a_eg_3egm_g_3e_b:Ca-Cu-O-Pb-Sr-Y, expected Sr6CaYCu6(Pb2O9)2 to be Sr4CaYCu6(PbO4)4" +mp-1521109,SrCaYBiO6,-7.2162077765,-2.8479891921,0.0,-0.043083832,GGA,P-1,ABC6DE_aP20_2_ah_i_6i_i_be:Bi-Ca-O-Sr-Y,20.0,"Invalid WP multiplicities - ABC6DE_aP20_2_ah_i_12i_i_be:Bi-Ca-O-Sr-Y, expected SrCaYBiO12 to be SrCaYBiO6" +mp-1521259,SrCaYBiO6,-7.1485884377,-2.7803698533,0.0676193388,0.0245355067,GGA,P222,ABC6DE_oP40_16_u_abch_6u_defg_u:Bi-Ca-O-Sr-Y,40.0,ABC6DE_oP40_16_u_abch_6u_defg_u:Bi-Ca-O-Sr-Y +mp-1521123,SrCaYBiO6,-7.1469857735,-2.7787671891,0.069222003,0.026138171,GGA,P-4n2,ABC6DE_tP20_118_a_c_ei_d_b:Bi-Ca-O-Sr-Y,20.0,ABC6DE_tP20_118_a_c_ei_d_b:Bi-Ca-O-Sr-Y +mp-1521165,SrCaYBiO6,-7.043600193,-2.6753816086,0.1726075835,0.1295237515,GGA,F-43m,ABC6DE_cF40_216_a_c_f_d_b:Bi-Ca-O-Sr-Y,10.0,ABC6DE_cF40_216_a_c_f_d_b:Bi-Ca-O-Sr-Y +mp-1218870,Sr4CaYCu4Bi2(PbO8)2,-6.3497502133,-2.1537447711,0.0175150494,0.0175150494,GGA,P2/c,A2BC4D16E2F4G_mP60_13_g_e_2g_8g_g_2g_f:Bi-Ca-Cu-O-Pb-Sr-Y,60.0,"Invalid WP multiplicities - A2BC4D16E2F4G_mP60_13_g_e_8g_32g_g_8g_f:Bi-Ca-Cu-O-Pb-Sr-Y, expected Sr16CaYCu16Bi2(PbO32)2 to be Sr4CaYCu4Bi2(PbO8)2" +mp-1347575,Ca2YBiO5,-7.21367735,-2.8746102878,0.1689636159,0.1689636159,GGA,Cc,AB2C5D_mC36_9_a_2a_5a_a:Bi-Ca-O-Y,18.0,"Invalid WP multiplicities - AB2C5D_mC36_9_a_3a_8a_a:Bi-Ca-O-Y, expected Ca3YBiO8 to be Ca2YBiO5" +mp-1096135,CaYPb2,-2.48509309,1.4892481933,2.0021486727,2.0021486727,GGA,Immm,AB2C_oI8_71_a_e_b:Ca-Pb-Y,4.0,AB2C_oI8_71_a_e_b:Ca-Pb-Y +mp-1218823,Sr8CaY3Cu12(PbO4)8,-6.2833566509,-2.0316901477,0.0207406829,0.0207406829,GGA,P-1,AB12C32D8E8F3_aP64_2_a_6i_16i_4i_4i_cde:Ca-Cu-O-Pb-Sr-Y,64.0,"Invalid WP multiplicities - AB12C32D8E8F3_aP64_2_a_10i_26i_8i_6i_cde:Ca-Cu-O-Pb-Sr-Y, expected Sr12CaY3Cu20(Pb4O13)4 to be Sr8CaY3Cu12(PbO4)8" +mp-1518059,Ca2YBiO6,-7.1435823525,-2.7437531254,0.0483921162,0.0483921162,GGA,P4/mnc,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-Y,20.0,AB2C6D_tP20_128_a_d_eh_b:Bi-Ca-O-Y +mp-1518224,Ca2YBiO6,-7.1908979395,-2.7910687124,0.0010765292,0.0010765292,GGA,Pn-3,AB2C6D_cP40_201_b_ad_h_c:Bi-Ca-O-Y,,AB2C6D_cP40_201_b_ad_h_c:Bi-Ca-O-Y +mp-1518070,Ca2YBiO6,-7.001071336,-2.6012421089,0.1909031327,0.1909031327,GGA,Fm-3m,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-Y,10.0,AB2C6D_cF40_225_a_c_e_b:Bi-Ca-O-Y +mp-686764,Ca5FePb3,-3.5382858778,-0.2454012311,0.2376430378,0.2376430378,GGA,P6_3/mcm,A5BC3_hP18_193_dg_b_g:Ca-Fe-Pb,18.0,"Invalid WP multiplicities - A5BC3_hP18_193_3d3g_b_g:Ca-Fe-Pb, expected Ca15FePb3 to be Ca5FePb3" +mp-1218684,Sr4CaYFeCu4PbO14,-6.5250851831,-2.1765012706,0.082332958,0.082332958,GGA+U,I-4m2,AB4CD14EF4G_tI52_119_a_2f_c_e2fj_d_2e_b:Ca-Cu-Fe-O-Pb-Sr-Y,26.0,"Invalid WP multiplicities - AB4CD14EF4G_tI52_119_a_3f_c_e3fj_d_4e_b:Ca-Cu-Fe-O-Pb-Sr-Y, expected Sr8CaYFeCu6PbO16 to be Sr4CaYFeCu4PbO14" +mp-1218844,Sr2FeCu(PbO3)2,-6.4085564908,-1.9874197247,0.0047350396,0.0023335655,GGA+U,P2/m,ABC6D2E2_mP12_10_c_e_bdmn_n_m:Cu-Fe-O-Pb-Sr,12.0,ABC6D2E2_mP12_10_b_d_cemn_m_n:Cu-Fe-O-Pb-Sr +mp-1192353,Sr2FeCu(PbO3)2,-6.4088533075,-1.9877165413,0.0044382229,0.0020367488,GGA+U,Pmc2_1,ABC6D2E2_oP24_26_b_a_2a2c_c_c:Cu-Fe-O-Pb-Sr,24.0,ABC6D2E2_oP24_26_b_a_2a2c_c_c:Cu-Fe-O-Pb-Sr +mp-1191264,Sr2FeCu(PbO3)2,-6.4132915304,-1.9921547642,0.0,-0.0024014741,GGA+U,Pnc2,ABC6D2E2_oP24_30_a_b_3c_c_c:Cu-Fe-O-Pb-Sr,24.0,ABC6D2E2_oP24_30_a_b_3c_c_c:Cu-Fe-O-Pb-Sr +mp-1187205,Sr2FeCu(PbO3)2,-6.4120981471,-1.9909613809,0.0011933833,-0.0012080908,GGA+U,Pmna,ABC6D2E2_oP24_53_a_c_g2h_h_h:Cu-Fe-O-Pb-Sr,24.0,ABC6D2E2_oP24_53_a_c_g2h_h_h:Cu-Fe-O-Pb-Sr +mp-866223,CaYHg2,-2.8078941175,-0.5380361867,0.0,-0.003833395,GGA,Fm-3m,AB2C_cF16_225_a_c_b:Ca-Hg-Y,4.0,AB2C_cF16_225_a_c_b:Ca-Hg-Y +mp-1218668,Sr6CaY2TiCu6(HgO10)2,-6.4577117008,-2.3233072319,0.0821074567,0.0821074567,GGA,Pmmm,AB6C2D20E6FG2_oP38_47_f_jz_n_ijlmy2z_ky_c_o:Ca-Cu-Hg-O-Sr-Ti-Y,38.0,"Invalid WP multiplicities - AB6C2D20E6FG2_oP38_47_f_2j2z_n_2i2j2lm2y4z_2k2y_c_o:Ca-Cu-Hg-O-Sr-Ti-Y, expected Sr12CaY2TiCu12(HgO19)2 to be Sr6CaY2TiCu6(HgO10)2" +mp-11882,TiCuHg2,-2.9672698850000003,0.1832449692,0.251147665,0.251147665,GGA,F-43m,AB2C_cF16_216_a_bc_d:Cu-Hg-Ti,4.0,AB2C_cF16_216_a_bc_d:Cu-Hg-Ti +mp-1046088,Sr2YTiCu2O7,-7.4021543269,-2.7432170688,0.10121436,0.10121436,GGA,Ima2,A2B7C2DE_oI52_46_c_b3c_c_b_a:Cu-O-Sr-Ti-Y,26.0,A2B7C2DE_oI52_46_c_b3c_c_b_a:Cu-O-Sr-Ti-Y +mp-24827,KVBP2HO9,-7.6593794467,-2.6184976968,0.0,-0.0028531753,GGA+U,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-H-K-O-P-V,60.0,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-H-K-O-P-V +mp-505803,MnFeAs,-7.5723743017,-0.1419893326,0.0568866017,0.0383924117,GGA,P4/nmm,ABC_tP6_129_c_a_c:As-Fe-Mn,6.0,ABC_tP6_129_c_a_c:As-Fe-Mn +mp-4238,MnFeAs,-7.6292609033,-0.1988759343,0.0,-0.01849419,GGA,P-62m,ABC_hP9_189_ad_g_f:As-Fe-Mn,9.0,ABC_hP9_189_ad_g_f:As-Fe-Mn +mp-24020,KVH24(SO10)2,-5.6374786361,-1.4952618849,0.0126173128,0.0126173128,GGA+U,Pa-3,A24BC20D2E_cP192_205_4d_a_c3d_c_b:H-K-O-S-V,192.0,"Invalid WP multiplicities - A24BC20D2E_cP192_205_6d_a_c3d_c_b:H-K-O-S-V, expected KVH36(SO10)2 to be KVH24(SO10)2" +mp-728123,KVH2SO7,-6.5982711827,-1.9530188533,0.0196188974,0.0196188974,GGA+U,P2_12_12_1,A2BC7DE_oP48_19_2a_a_7a_a_a:H-K-O-S-V,48.0,A2BC7DE_oP48_19_2a_a_7a_a_a:H-K-O-S-V +mp-601242,K2VH4C4O9,-6.8909092752,-1.5753858494,0.1350573755,0.1350573755,GGA+U,Pbca,A4B4C2D9E_oP160_61_4c_4c_2c_9c_c:C-H-K-O-V,160.0,"Invalid WP multiplicities - A4B4C2D9E_oP160_61_24c_24c_11c_68c_c:C-H-K-O-V, expected K11VH24(C6O17)4 to be K2VH4C4O9" +mp-559433,K3VH2(CO5)2,-6.5953079817,-1.7550428095,0.1725204335,0.1725204335,GGA+U,P2_1/c,A2B2C3D10E_mP72_14_2e_2e_3e_10e_e:C-H-K-O-V,72.0,"Invalid WP multiplicities - A2B2C3D10E_mP72_14_6e_5e_8e_36e_e:C-H-K-O-V, expected K8VH5(CO6)6 to be K3VH2(CO5)2" +mp-560059,KVH6SO9,-6.1205009006,-1.7200948142,0.0223483598,0.0223483598,GGA+U,P2_1,A6BC9DE_mP36_4_6a_a_9a_a_a:H-K-O-S-V,36.0,"Invalid WP multiplicities - A6BC9DE_mP36_4_10a_a_17a_a_a:H-K-O-S-V, expected KVH10SO17 to be KVH6SO9" +mp-698305,K3VH6C4O13,-6.674957287,-1.7122508279000002,0.0943677173,0.0943677173,GGA+U,P-1,A4B6C3D13E_aP54_2_4i_6i_3i_13i_i:C-H-K-O-V,54.0,A4B6C3D13E_aP54_2_4i_6i_3i_13i_i:C-H-K-O-V +mp-1202363,V3S2NO12,-7.1963191842,-1.4617982173,0.5849691426,0.5849691426,GGA+U,P2_1,AB12C2D3_mP72_4_2a_24a_4a_6a:N-O-S-V,72.0,AB12C2D3_mP72_4_2a_24a_4a_6a:N-O-S-V +mp-24377,VH20S2(NO7)2,-5.7188863317,-1.3307335493,0.0171557214,0.0171557214,GGA+U,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-V,78.0,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-V +mp-1179039,VH20S2(NO7)2,-5.5194056786,-1.1312528963,0.2166363745,0.2166363745,GGA+U,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-V,78.0,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-S-V +mp-1100935,V2H38S4(N2O9)3,-5.7471265501,-1.2378178999,0.0768718093,0.0768718093,GGA+U,P-1,A38B6C27D4E2_aP77_2_19i_3i_a13i_2i_i:H-N-O-S-V,77.0,"Invalid WP multiplicities - A38B6C27D4E2_aP77_2_37i_5i_a25i_3i_i:H-N-O-S-V, expected V2H74S6N10O51 to be V2H38S4(N2O9)3" +mp-555799,VH10SNO9,-5.9563064459,-1.4106560044,0.0590908095,0.0590908095,GGA+U,P2_1,A10BC9DE_mP44_4_10a_a_9a_a_a:H-N-O-S-V,44.0,"Invalid WP multiplicities - A10BC9DE_mP44_4_19a_a_18a_a_a:H-N-O-S-V, expected VH19SNO18 to be VH10SNO9" +mp-721235,VH24C8S2N2O9,-5.779710407,-0.696998601,0.2081627717,0.2081627717,GGA+U,P2_1/c,A8B24C2D9E2F_mP184_14_8e_24e_2e_9e_2e_e:C-H-N-O-S-V,184.0,A8B24C2D9E2F_mP184_14_8e_24e_2e_9e_2e_e:C-H-N-O-S-V +mp-727288,VH20C2S2N6O13,-6.0637385676,-1.1093162839,0.0626302975,0.0626302975,GGA+U,P-1,A2B20C6D13E2F_aP176_2_4i_40i_12i_26i_4i_2i:C-H-N-O-S-V,176.0,A2B20C6D13E2F_aP176_2_4i_40i_12i_26i_4i_2i:C-H-N-O-S-V +mp-735027,VS2NO9,-6.6161464285000005,-1.2151080338,0.5124777256,0.5124777256,GGA+U,P2_12_12_1,AB9C2D_oP52_19_a_9a_2a_a:N-O-S-V,52.0,AB9C2D_oP52_19_a_9a_2a_a:N-O-S-V +mp-743676,VH10S2(NO4)2,-5.741641072,-1.0663990809,0.2659892335,0.2659892335,GGA+U,P2_1/c,A10B2C8D2E_mP46_14_5e_e_4e_e_a:H-N-O-S-V,46.0,"Invalid WP multiplicities - A10B2C8D2E_mP46_14_20e_e_13e_e_a:H-N-O-S-V, expected VH40S2(NO13)2 to be VH10S2(NO4)2" +mp-1100920,VH10S2(NO4)2,-5.9252418387,-1.2499998477,0.0823884667,0.0823884667,GGA+U,P2_1/c,A10B2C8D2E_mP46_14_5e_e_4e_e_a:H-N-O-S-V,46.0,"Invalid WP multiplicities - A10B2C8D2E_mP46_14_20e_e_13e_e_a:H-N-O-S-V, expected VH40S2(NO13)2 to be VH10S2(NO4)2" +mp-695007,VH10S2(NO4)2,-5.7006232441,-1.0253812531,0.3070070613,0.3070070613,GGA+U,P2_1/c,A10B2C8D2E_mP46_14_5e_e_4e_e_a:H-N-O-S-V,46.0,"Invalid WP multiplicities - A10B2C8D2E_mP46_14_20e_e_13e_e_a:H-N-O-S-V, expected VH40S2(NO13)2 to be VH10S2(NO4)2" +mp-1208097,V2S3(NO6)2,-6.8775274507,-1.2664529177,0.6025743816,0.6025743816,GGA+U,P2_13,A2B12C3D2_cP76_198_2a_4b_b_2a:N-O-S-V,76.0,A2B12C3D2_cP76_198_2a_4b_b_2a:N-O-S-V +mp-1207838,VS2NO8,-6.70671785,-1.2678169818,0.5178432109000001,0.5178432109000001,GGA+U,P321,AB8C2D_hP12_150_a_dg_d_b:N-O-S-V,12.0,AB8C2D_hP12_150_a_dg_d_b:N-O-S-V +mp-1202300,VH15C4S2(NO5)2,-6.0744694204,-1.0361683789,0.1510541735,0.1510541735,GGA+U,P2_1/c,A4B15C2D10E2F_mP136_14_4e_15e_2e_10e_2e_e:C-H-N-O-S-V,136.0,A4B15C2D10E2F_mP136_14_4e_15e_2e_10e_2e_e:C-H-N-O-S-V +mp-1147601,CuPb2(SCl)2,-4.1199670329,-0.7636136237000001,0.2567219155,0.2567219155,GGA,I4/mmm,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-Pb-S,7.0,A2BC2D2_tI14_139_c_a_e_e:Cl-Cu-Pb-S +mp-554291,CuSb2ClO3,-5.5895876957,-1.4401859895,0.0366055556,0.0366055556,GGA,Cmc2_1,ABC3D2_oC112_36_2ab_2ab_4a4b_4a2b:Cl-Cu-O-Sb,56.0,"Invalid WP multiplicities - ABC3D2_oC112_36_4a2b_4a3b_8a14b_8a5b:Cl-Cu-O-Sb, expected Cu5Sb9(Cl2O9)2 to be CuSb2ClO3" +mp-1228843,AlSb3Pb4O13,-6.5181619462,-1.980537133,0.0045118694,0.0045118694,GGA,R3m,AB13C4D3_hR63_160_a_a4b_ab_b:Al-O-Pb-Sb,21.0,"Invalid WP multiplicities - AB13C4D3_hR63_160_a_a10b_ab_b:Al-O-Pb-Sb, expected AlSb3Pb4O31 to be AlSb3Pb4O13" +mp-572131,SbS8Cl5O,-4.0254323912,-0.5981009121,0.2777026875,0.2777026875,GGA,Pnma,A5BC8D_oP60_62_3cd_c_2c3d_c:Cl-O-S-Sb,60.0,"Invalid WP multiplicities - A5BC8D_oP60_62_7c5d_c_6c18d_c:Cl-O-S-Sb, expected SbS42Cl17O to be SbS8Cl5O" +mp-1103722,Al2PbS4,-5.1983002486,-1.2340719346,0.0,-0.0396762948,GGA,Cccm,A2BC4_oC28_66_l_a_kl:Al-Pb-S,14.0,A2BC4_oC28_66_l_a_kl:Al-Pb-S +mp-23138,SbPbClO2,-5.628151793,-1.7114393145,0.0,-0.0507539067,GGA,Cmcm,AB2CD_oC20_63_c_e_c_c:Cl-O-Pb-Sb,10.0,AB2CD_oC20_63_c_e_c_c:Cl-O-Pb-Sb +mp-1199988,AlPb3SO11,-6.0633442881,-1.4737478675,0.2692883009,0.2692883009,GGA,R3c,AB11C3D_hR96_161_a_2a3b_b_a:Al-O-Pb-S,32.0,AB11C3D_hR96_161_a_2a3b_b_a:Al-O-Pb-S +mp-1202327,AlCu4SbPb6S2(Cl2O13)2,-5.5907881150000005,-1.2537826824,0.217031697,0.217031697,GGA,C2/m,AB4C4D26E6F2G_mC88_12_a_2i_ei_5i4j_ij_i_c:Al-Cl-Cu-O-Pb-S-Sb,44.0,AB4C4D26E6F2G_mC88_12_c_2i_ei_5i4j_ij_i_b:Al-Cl-Cu-O-Pb-S-Sb +mp-1190199,CuSb6(SO8)2,-6.4050161496,-1.7532908206000002,0.0,-0.0079558053,GGA,P-1,AB16C2D6_aP25_2_a_8i_i_3i:Cu-O-S-Sb,25.0,AB16C2D6_aP25_2_a_8i_i_3i:Cu-O-S-Sb +mp-649774,CuSbPbS3,-4.6462233721,-0.587855942,0.0031494554,0.0031494554,GGA,Pmn2_1,ABC3D_oP24_31_b_2a_2a2b_2a:Cu-Pb-S-Sb,24.0,"Invalid WP multiplicities - ABC3D_oP24_31_b_2a_4a8b_2a:Cu-Pb-S-Sb, expected CuSbPbS10 to be CuSbPbS3" +mp-1209339,Sb10Pb10(S8Cl)3,-4.60694613,-0.7082888984,0.0260294014,0.0260294014,GGA,P2/m,A3B10C24D10_mP47_10_am_5n_5m7n_5m:Cl-Pb-S-Sb,47.0,A3B10C24D10_mP47_10_am_5n_5m7n_5m:Cl-Pb-S-Sb +mp-1211842,K2PbCl5,-3.6557677909,-1.7587517579,0.0503975478,0.0503975478,GGA,Pnma,A5B2C_oP32_62_3cd_d_c:Cl-K-Pb,32.0,A5B2C_oP32_62_3cd_d_c:Cl-K-Pb +mp-24053,AgH2ClO5,-4.7253201961,-0.7030992728000001,0.0020165797,0.0020165797,GGA,Pbca,ABC2D5_oP72_61_c_c_2c_5c:Ag-Cl-H-O,72.0,ABC2D5_oP72_61_c_c_2c_5c:Ag-Cl-H-O +mp-607267,KPb2Cl5,-3.9733843263,-1.7510872779,0.0,-0.0158221813,GGA,P2_1/c,A5BC2_mP32_14_5e_e_2e:Cl-K-Pb,32.0,A5BC2_mP32_14_5e_e_2e:Cl-K-Pb +mp-674993,KPb2Cl5,-3.9600100041,-1.7377129557000002,0.0133743222,-0.0024478591,GGA,Pna2_1,A5BC2_oP32_33_5a_a_2a:Cl-K-Pb,32.0,"Invalid WP multiplicities - A5BC2_oP32_33_17a_a_5a:Cl-K-Pb, expected KPb5Cl17 to be KPb2Cl5" +mp-1226080,CuAg10(PbO4)3,-4.6922247781,-0.7336489147,0.0191868789,0.0191868789,GGA,C2,A10BC12D3_mC52_5_5c_a_6c_a2b:Ag-Cu-O-Pb,26.0,"Invalid WP multiplicities - A10BC12D3_mC52_5_8c_a_12c_a2b:Ag-Cu-O-Pb, expected CuAg16(PbO8)3 to be CuAg10(PbO4)3" +mp-1211440,K2PbCl6,-3.5768891089,-1.6852596729,0.0,-0.0662855139,GGA,P2_1/c,A6B2C_mP18_14_3e_e_a:Cl-K-Pb,18.0,A6B2C_mP18_14_3e_e_a:Cl-K-Pb +mp-1196871,KCu24Ag9H48Pb26(Cl31O24)2,-4.6187044728,-1.2406569127,0.0308980915,0.0308980915,GGA,Pm-3m,A9B62C24D48EF48G26_cP218_221_cf_fg2im_m_lm_a_lm_egh:Ag-Cl-Cu-H-K-O-Pb,218.0,A9B62C24D48EF48G26_cP218_221_cf_fg2im_m_lm_a_lm_egh:Ag-Cl-Cu-H-K-O-Pb +mp-1104301,K3(PbCl4)2,-3.7543770531,-1.7893936484,0.0364354131,0.0364354131,GGA,P-1,A8B3C2_aP13_2_4i_bce_ad:Cl-K-Pb,13.0,A8B3C2_aP13_2_4i_bce_ad:Cl-K-Pb +mp-1196830,Cu24Ag9Pb26(Cl31O24)2,-4.157315684,-0.770019122,0.3537461147,0.3537461147,GGA,Pm-3m,A9B62C24D48E26_cP169_221_cf_fg2im_m_lm_egh:Ag-Cl-Cu-O-Pb,169.0,A9B62C24D48E26_cP169_221_cf_fg2im_m_lm_egh:Ag-Cl-Cu-O-Pb +mp-6903,Na2Ca4ZrNbSi4O17F,-7.9318986808,-3.3644681823,0.0,-0.0118864925,GGA,P2_1,A4BC2DE17F4G_mP60_4_4a_a_2a_a_17a_4a_a:Ca-F-Na-Nb-O-Si-Zr,60.0,"Invalid WP multiplicities - A4BC2DE17F4G_mP60_4_6a_a_2a_a_20a_4a_a:Ca-F-Na-Nb-O-Si-Zr, expected Na2Ca6ZrNbSi4O20F to be Na2Ca4ZrNbSi4O17F" +mp-1221911,Na2Ca4ZrNbSi4O17F,-7.8592541648,-3.2918236663,0.072644516,0.0607580235,GGA,P2_1,A4BC2DE17F4G_mP60_4_4a_a_2a_a_17a_4a_a:Ca-F-Na-Nb-O-Si-Zr,60.0,A4BC2DE17F4G_mP60_4_4a_a_2a_a_17a_4a_a:Ca-F-Na-Nb-O-Si-Zr +mp-1210579,Na2CaZrSi2O7F2,-7.535625816,-3.3690414113,0.0,-0.0035599703,GGA,P2_1/c,AB2C2D7E2F_mP60_14_e_2e_2e_7e_2e_e:Ca-F-Na-O-Si-Zr,60.0,AB2C2D7E2F_mP60_14_e_2e_2e_7e_2e_e:Ca-F-Na-O-Si-Zr +mp-705559,Na3Ca3Zr2Si4(O5F)3,-7.1353513077,-2.8448240919,0.5682986471,0.5682986471,GGA,P-1,A3B3C3D15E4F2_aP60_2_3i_3i_3i_15i_4i_2i:Ca-F-Na-O-Si-Zr,60.0,"Invalid WP multiplicities - A3B3C3D15E4F2_aP60_2_5i_5i_5i_29i_7i_3i:Ca-F-Na-O-Si-Zr, expected Na5Ca5Zr3Si7O29F5 to be Na3Ca3Zr2Si4(O5F)3" +mp-1248208,Na3Ca3Zr2Si4(O5F)3,-7.1506314163,-2.8601042006,0.5530185384,0.5530185384,GGA,P-1,A3B3C3D15E4F2_aP60_2_3i_3i_3i_15i_4i_2i:Ca-F-Na-O-Si-Zr,60.0,"Invalid WP multiplicities - A3B3C3D15E4F2_aP60_2_5i_5i_5i_29i_7i_3i:Ca-F-Na-O-Si-Zr, expected Na5Ca5Zr3Si7O29F5 to be Na3Ca3Zr2Si4(O5F)3" +mp-42255,NaCaNb2O6F,-8.2006142609,-3.1894918529,0.0051047726,0.0051047726,GGA,Imma,ABCD2E6_oI44_74_a_e_c_bd_2ej:Ca-F-Na-Nb-O,22.0,"Invalid WP multiplicities - ABCD2E6_oI44_74_a_e_c_2b2d_4e4j:Ca-F-Na-Nb-O, expected NaCaNb4O20F to be NaCaNb2O6F" +mp-1518125,NaCaZrNbO6,-8.32781832,-3.1620920089,0.0965188682,0.0965188682,GGA,F-43m,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-Zr,10.0,ABCD6E_cF40_216_c_d_a_f_b:Ca-Na-Nb-O-Zr +mp-1210786,Na2Ca4ZrNbSi4(O8F)2,-7.8211916392,-3.3549347988,0.0264137583,0.0264137583,GGA,P2_1,A4B2C2DE16F4G_mP60_4_4a_2a_2a_a_16a_4a_a:Ca-F-Na-Nb-O-Si-Zr,60.0,A4B2C2DE16F4G_mP60_4_4a_2a_2a_a_16a_4a_a:Ca-F-Na-Nb-O-Si-Zr +mp-542863,Ca7NbSi4O17F,-7.8756698988,-3.4807711195,0.0,-0.0073713239,GGA,Pc,A7BCD17E4_mP60_7_7a_a_a_17a_4a:Ca-F-Nb-O-Si,60.0,A7BCD17E4_mP60_7_7a_a_a_17a_4a:Ca-F-Nb-O-Si +mp-1209318,SbTe8Cl6O6F31,-4.4941037485,-2.0075143522,0.0719642001,0.0719642001,GGA,P-1,A6B31C6DE8_aP52_2_3i_b15i_3i_e_4i:Cl-F-O-Sb-Te,52.0,A6B31C6DE8_aP52_2_3i_b15i_3i_e_4i:Cl-F-O-Sb-Te +mp-1199772,Sb2XeClF11,-4.254202209,-2.1762700788,0.0,-0.0173897263,GGA,Pna2_1,AB11C2D_oP120_33_2a_22a_4a_2a:Cl-F-Sb-Xe,120.0,AB11C2D_oP120_33_2a_22a_4a_2a:Cl-F-Sb-Xe +mp-555629,SbTe(ClF2)3,-4.3268020223,-2.1189119388,0.0,-0.0336824682,GGA,Pnma,A3B6CD_oP44_62_cd_4cd_c_c:Cl-F-Sb-Te,44.0,"Invalid WP multiplicities - A3B6CD_oP44_62_3c3d_14c5d_c_c:Cl-F-Sb-Te, expected SbTe(Cl3F8)3 to be SbTe(ClF2)3" +mp-581488,SbTe7SXeCl(OF4)9,-4.6804248388000005,-2.0824472599,0.0431997377,0.0431997377,GGA,P-1,AB36C9DEF7G_aP112_2_i_36i_9i_i_bd_7i_i:Cl-F-O-S-Sb-Te-Xe,112.0,"Invalid WP multiplicities - AB36C9DEF7G_aP112_2_i_70i_17i_i_bd_12i_i:Cl-F-O-S-Sb-Te-Xe, expected SbTe12SXeClO17F70 to be SbTe7SXeCl(OF4)9" +mp-560359,SbTe7SXeCl(OF4)9,-4.6804042887,-2.0824267097,0.0432202879,0.0432202879,GGA,P-1,AB36C9DEF7G_aP112_2_i_36i_9i_i_be_7i_i:Cl-F-O-S-Sb-Te-Xe,112.0,"Invalid WP multiplicities - AB36C9DEF7G_aP112_2_i_70i_15i_i_be_11i_i:Cl-F-O-S-Sb-Te-Xe, expected SbTe11SXeCl(O3F14)5 to be SbTe7SXeCl(OF4)9" +mp-24229,Na2CaH10C2O11,-6.0207995302,-1.7343065407,0.0037122412,0.0037122412,GGA,C2/c,A2BC10D2E11_mC104_15_f_e_5f_f_e5f:C-Ca-H-Na-O,52.0,"Invalid WP multiplicities - A2BC10D2E11_mC104_15_f_e_9f_f_2e9f:C-Ca-H-Na-O, expected Na2CaH18(CO10)2 to be Na2CaH10C2O11" +mp-1227540,Ca2AlH10ClO8,-5.7116463727,-1.9340971732,0.014381661,0.014381661,GGA,Cc,AB2CD10E8_mC88_9_a_2a_a_10a_8a:Al-Ca-Cl-H-O,44.0,"Invalid WP multiplicities - AB2CD10E8_mC88_9_a_2a_a_19a_14a:Al-Ca-Cl-H-O, expected Ca2AlH19ClO14 to be Ca2AlH10ClO8" +mp-695927,Ca2AlH10ClO8,-5.2144566398,-1.4369074402,0.5115713939000001,0.5115713939000001,GGA,C2/c,AB2CD10E8_mC88_15_c_f_e_5f_4f:Al-Ca-Cl-H-O,44.0,AB2CD10E8_mC88_15_a_f_e_5f_4f:Al-Ca-Cl-H-O +mp-42175,Ca2AlH10ClO8,-5.713610487,-1.9360612875,0.0124175467,0.0124175467,GGA,C2/c,AB2CD10E8_mC88_15_c_f_e_5f_4f:Al-Ca-Cl-H-O,44.0,"Invalid WP multiplicities - AB2CD10E8_mC88_15_a_f_e_17f_15f:Al-Ca-Cl-H-O, expected Ca2AlH34ClO30 to be Ca2AlH10ClO8" +mp-1250606,Ca2AlH10ClO8,-5.2578757448,-1.4803265452,0.4681522889,0.4681522889,GGA,C2/c,AB2CD10E8_mC88_15_c_f_e_5f_4f:Al-Ca-Cl-H-O,44.0,AB2CD10E8_mC88_15_a_f_e_5f_4f:Al-Ca-Cl-H-O +mp-1195650,Na2CaH4(CO4)2,-6.4586873968,-1.9732523778,0.0061595132,0.0061595132,GGA,Fdd2,A2BC4D2E8_oF136_43_b_a_2b_b_4b:C-Ca-H-Na-O,34.0,A2BC4D2E8_oF136_43_b_a_2b_b_4b:C-Ca-H-Na-O +mp-698491,NaCa2Al4H8C4ClO20,-6.9303852781,-2.3015150384,0.0,-0.0061325968,GGA,P4/nmm,A4B4C2DE8FG20_tP80_129_g_i_e_c_ij_c_2ijk:Al-C-Ca-Cl-H-Na-O,80.0,A4B4C2DE8FG20_tP80_129_g_i_e_c_ij_c_2ijk:Al-C-Ca-Cl-H-Na-O +mp-1197055,CdH12C4I2(NO)4,-5.6930219404,-0.706735588,0.1076574883,0.1076574883,GGA,Fdd2,A4BC12D2E4F4_oF216_43_2b_a_6b_b_2b_2b:C-Cd-H-I-N-O,54.0,A4BC12D2E4F4_oF216_43_2b_a_6b_b_2b_2b:C-Cd-H-I-N-O +mp-1104248,CdH6C2I2(NO)2,-5.3641549707,-0.7475098382,0.0727311793,0.0727311793,GGA,P-1,A2BC6D2E2F2_aP15_2_i_a_3i_i_i_i:C-Cd-H-I-N-O,15.0,A2BC6D2E2F2_aP15_2_i_a_3i_i_i_i:C-Cd-H-I-N-O +mp-1191621,CdI3NO,-2.6802457767,0.4241162977,1.1046882516,1.1046882516,GGA,Pmc2_1,AB3CD_oP24_26_ab_2a2bc_c_c:Cd-I-N-O,24.0,AB3CD_oP24_26_ab_2a2bc_c_c:Cd-I-N-O +mp-1192575,CdH6C(IN)3,-4.8518215343,-0.5705718666,0.0,-0.0182158665,GGA,Cc,ABC6D3E3_mC56_9_a_a_6a_3a_3a:C-Cd-H-I-N,28.0,ABC6D3E3_mC56_9_a_a_6a_3a_3a:C-Cd-H-I-N +mp-1204973,Cd3H6C2I6(NO)2,-4.4472464448,-0.7811073063,0.0541712743,0.0541712743,GGA,Pnn2,A2B3C6D6E2F2_oP42_34_c_ac_3c_3c_c_c:C-Cd-H-I-N-O,42.0,A2B3C6D6E2F2_oP42_34_c_ac_3c_3c_c_c:C-Cd-H-I-N-O +mp-1181679,GaSiC4N,-6.6500537637,1.0220278002,1.3614814457,1.3614814457,GGA,C2/c,A4BCD_mC112_15_8f_2f_2f_2f:C-Ga-N-Si,56.0,A4BCD_mC112_15_8f_2f_2f_2f:C-Ga-N-Si +mp-1182730,GaSiC4N,-6.9705164371,0.7015651268,1.0410187723,1.0410187723,GGA,C2/c,A4BCD_mC112_15_8f_2f_2f_2f:C-Ga-N-Si,56.0,A4BCD_mC112_15_8f_2f_2f_2f:C-Ga-N-Si +mp-1198245,GaSi6BiH54C18(NCl)4,-5.1567351630000005,-0.2762373792,0.1322484693,0.1322484693,GGA,P1,AB18C4DE54F4G6_aP88_1_a_18a_4a_a_54a_4a_6a:Bi-C-Cl-Ga-H-N-Si,88.0,AB18C4DE54F4G6_aP88_1_a_18a_4a_a_54a_4a_6a:Bi-C-Cl-Ga-H-N-Si +mp-1202913,GaH15N5Cl3,-4.933283856,-0.7188225518,0.0,-0.0215985044,GGA,Pnma,A3BC15D5_oP96_62_cd_c_3c6d_3cd:Cl-Ga-H-N,96.0,A3BC15D5_oP96_62_cd_c_3c6d_3cd:Cl-Ga-H-N +mp-1224866,Ga2BiN,-4.6752209425,-0.1169269175,0.2114815169,0.2114815169,GGA,R3m,AB2C_hR12_160_a_2a_a:Bi-Ga-N,4.0,AB2C_hR12_160_a_2a_a:Bi-Ga-N +mp-1200151,Ga4HCl6,-3.5738444891,-1.1559962986,0.0178561775,0.0178561775,GGA,Pmn2_1,A6B4C_oP44_31_2a5b_4a2b_b:Cl-Ga-H,44.0,A6B4C_oP44_31_2a5b_4a2b_b:Cl-Ga-H +mp-1246627,GaBiN2,-5.8945890275,-0.0091952769,0.3192131575,0.3192131575,GGA,P2_1/c,ABC2_mP16_14_e_e_2e:Bi-Ga-N,16.0,ABC2_mP16_14_e_e_2e:Bi-Ga-N +mp-1246447,GaBiN2,-5.8762578366,0.0091359141,0.3375443484,0.3375443484,GGA,Pbca,ABC2_oP64_61_2c_2c_4c:Bi-Ga-N,64.0,ABC2_oP64_61_2c_2c_4c:Bi-Ga-N +mp-1224888,Ga4Bi3N,-3.8534499125,0.1428433881,0.3070476053,0.3070476053,GGA,Amm2,A3B4C_oC16_38_ae_2bd_a:Bi-Ga-N,8.0,A3B4C_oC16_38_ae_2bd_a:Bi-Ga-N +mp-569854,Ga3Bi5Cl12,-3.7654297217,-1.2419710399,0.0,-0.0009113241,GGA,R3c,A5B12C3_hR120_161_2ab_4b_b:Bi-Cl-Ga,40.0,"Invalid WP multiplicities - A5B12C3_hR120_167_2c3e_10f_e:Bi-Cl-Ga, expected Ga3Bi13Cl60 to be Ga3Bi5Cl12" +mp-29075,Ga3Bi5Cl12,-3.7642070172,-1.2407483354,0.0012227045,0.0003113804,GGA,R-3c,A5B12C3_hR120_167_ce_2f_e:Bi-Cl-Ga,40.0,A5B12C3_hR120_167_ce_2f_e:Bi-Cl-Ga +mp-1246267,Si3Bi5N9,-6.6336445712,-0.1332413909,0.4018850606,0.4018850606,GGA,Cmce,A5B9C3_oC136_64_d2fg_3f3g_e2f:Bi-N-Si,68.0,A5B9C3_oC136_64_d2fg_3f3g_e2f:Bi-N-Si +mp-1190111,GaHCl2,-3.6124547494,-1.0829809025,0.0,-0.0104241991,GGA,C2/c,A2BC_mC32_15_2f_f_f:Cl-Ga-H,16.0,A2BC_mC32_15_2f_f_f:Cl-Ga-H +mp-600257,GaH12C4NCl3,-4.9651244488,-0.4633351423,0.0800150965,0.0800150965,GGA,Pa-3,A4B3CD12E_cP168_205_cd_d_c_4d_c:C-Cl-Ga-H-N,168.0,"Invalid WP multiplicities - A4B3CD12E_cP168_205_6c6d_d_c_76d_c:C-Cl-Ga-H-N, expected GaH228C24NCl3 to be GaH12C4NCl3" +mp-1247410,Si6Bi3N11,-7.5223451395,-0.7336041522000001,0.1761108153,0.1761108153,GGA,P4bm,A3B11C6_tP40_100_ac_bc2d_cd:Bi-N-Si,40.0,A3B11C6_tP40_100_ac_bc2d_cd:Bi-N-Si +mp-1224974,Ga4BiN3,-5.4535920862000005,-0.3332973369,0.1593153147,0.1593153147,GGA,R3m,AB4C3_hR24_160_a_4a_3a:Bi-Ga-N,,AB4C3_hR24_160_a_4a_3a:Bi-Ga-N +mp-1079836,GaSi3C3N,-7.2468989812,-0.3310812919,0.0678287475,0.0678287475,GGA,Pm,A3BCD3_mP8_6_2ab_a_b_a2b:C-Ga-N-Si,8.0,A3BCD3_mP8_6_2ab_a_b_a2b:C-Ga-N-Si +mp-604970,GaSi4H30C10Cl,-5.029210088,-0.2325504994,0.0443108913,0.0443108913,GGA,P2_1/c,A10BCD30E4_mP184_14_10e_e_e_30e_4e:C-Cl-Ga-H-Si,184.0,"Invalid WP multiplicities - A10BCD30E4_mP184_14_37e_e_e_117e_14e:C-Cl-Ga-H-Si, expected GaSi14H117C37Cl to be GaSi4H30C10Cl" +mp-1202078,Si6BiH54C18N4Cl,-5.2209140166,-0.2100795051,0.1418970274,0.1418970274,GGA,C2/c,AB18CD54E4F6_mC672_15_f_18f_f_54f_4f_6f:Bi-C-Cl-H-N-Si,336.0,AB18CD54E4F6_mC672_15_f_18f_f_54f_4f_6f:Bi-C-Cl-H-N-Si +mp-1246363,GaBi2N3,-5.7382275771,0.2148655992,0.4338045554,0.4338045554,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Bi-Ga-N,24.0,A2BC3_mC48_15_2f_f_2e2f:Bi-Ga-N +mp-1181463,GaC2NCl4,-4.8656521081,-0.2136435366,0.6804805420000001,0.6804805420000001,GGA,Pnma,A2B4CD_oP32_62_2c_2cd_c_c:C-Cl-Ga-N,32.0,A2B4CD_oP32_62_2c_2cd_c_c:C-Cl-Ga-N +mp-569237,Ga(BiCl)4,-3.8094589124,-0.9445478921,0.0,-0.0245693441,GGA,P6_3,A4B4C_hP108_173_8c_a2b7c_a2bc:Bi-Cl-Ga,108.0,"Invalid WP multiplicities - A4B4C_hP108_173_44c_2a4b40c_a3b3c:Bi-Cl-Ga, expected Ga13(Bi22Cl21)6 to be Ga(BiCl)4" +mp-1092268,GaSiCN,-6.7158411125,-0.211197495,0.3828463846,0.3828463846,GGA,Pmn2_1,ABCD_oP8_31_a_a_a_a:C-Ga-N-Si,8.0,ABCD_oP8_31_a_a_a_a:C-Ga-N-Si +mp-1210262,Na4Ca4Be4AlSi7(O6F)4,-7.3352709075,-3.2444500922,0.0166812566,0.0166812566,GGA,I-4,AB4C4D4E4F24G7_tI96_82_a_g_g_g_g_6g_bfg:Al-Be-Ca-F-Na-O-Si,48.0,AB4C4D4E4F24G7_tI96_82_a_g_g_g_g_6g_bfg:Al-Be-Ca-F-Na-O-Si +mp-560721,NaCaBeSi2O6F,-7.4118084219,-3.2859929774,0.0,-0.0114295171,GGA,P2_12_12_1,ABCDE6F2_oP48_19_a_a_a_a_6a_2a:Be-Ca-F-Na-O-Si,48.0,"Invalid WP multiplicities - ABCDE6F2_oP48_19_a_a_a_a_23a_6a:Be-Ca-F-Na-O-Si, expected NaCaBeSi6O23F to be NaCaBeSi2O6F" +mp-759761,LiVFe(P2O7)2,-7.8225326374,-2.5668325359,0.0083146007,0.0083146007,GGA+U,P1,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Fe-Li-O-P-V,42.0,ABC14D4E_aP42_1_2a_2a_28a_8a_2a:Fe-Li-O-P-V +mp-759820,LiVFe(P2O7)2,-7.822565774,-2.5668656725,0.0082814641,0.0082814641,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Fe-Li-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Fe-Li-O-P-V +mp-765981,LiVFe(P2O7)2,-7.8250805169,-2.5693804154,0.0057667212,0.0057667212,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V,42.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V +mp-759903,LiVFe(P2O7)2,-7.8227230519,-2.5670229504,0.0081241862,0.0081241862,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V +mp-759801,LiVFe(P2O7)2,-7.8226343733,-2.5669342719,0.0082128648,0.0082128648,GGA+U,P1,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Fe-Li-O-P-V,63.0,ABC14D4E_aP63_1_3a_3a_42a_12a_3a:Fe-Li-O-P-V +mp-759529,LiVFe(P2O7)2,-7.8219075598,-2.5662074583,0.0089396783,0.0089396783,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V +mp-801254,LiVFe(P2O7)2,-4.1418319468,1.1138681547,3.6890152913,3.6890152913,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V +mp-1176547,LiVFe(P2O7)2,-7.8225856892,-2.5668855877,0.0082615489,0.0082615489,GGA+U,P1,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V,84.0,ABC14D4E_aP84_1_4a_4a_56a_16a_4a:Fe-Li-O-P-V +mp-1235226,LiVFe(P2O7)2,-7.803549269999999,-2.5478491685,0.0272979681,0.0272979681,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V +mp-1235295,LiVFe(P2O7)2,-7.8094680267,-2.5537679252,0.0213792114,0.0213792114,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V +mp-1235847,LiVFe(P2O7)2,-7.816212039,-2.5605119376000003,0.014635199,0.014635199,GGA+U,P1,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V,21.0,ABC14D4E_aP21_1_a_a_14a_4a_a:Fe-Li-O-P-V +mp-766535,Li12V3FeP4(CO7)4,-7.3225452175,-2.4051611842,0.0672851067,0.0672851067,GGA+U,Pm,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Fe-Li-O-P-V,52.0,A4BC12D28E4F3_mP52_6_2a2b_a_2a2b4c_10a10b4c_2a2b_a2b:C-Fe-Li-O-P-V +mp-1222547,Li4VFe3(PO4)4,-7.6228177096,-2.5181787606,0.0077512164,0.0077512164,GGA+U,Pm,A3B4C16D4E_mP28_6_a2b_2c_4a4b4c_2a2b_a:Fe-Li-O-P-V,28.0,"Invalid WP multiplicities - A3B4C16D4E_mP28_6_a2b_4c_4a4b8c_2a2b_a:Fe-Li-O-P-V, expected Li8VFe3(PO6)4 to be Li4VFe3(PO4)4" +mp-766566,Li12VFe3P4(CO7)4,-7.2543847879,-2.3606117107,0.0525583322,0.0525583322,GGA+U,Pm,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Fe-Li-O-P-V,52.0,A4B3C12D28E4F_mP52_6_2a2b_a2b_2a2b4c_10a10b4c_2a2b_a:C-Fe-Li-O-P-V +mp-764299,Li2VFe(P2O7)2,-7.7336000826,-2.6300262191,0.0001901411,-0.0067653022,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V +mp-764318,Li2VFe(P2O7)2,-7.7330872826,-2.6295134191,0.0007029411,-0.0062525022,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V +mp-1177778,Li2VFe(P2O7)2,-7.7330728005,-2.6294989369,0.0007174232,-0.0062380201,GGA+U,P1,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V,66.0,AB2C14D4E_aP66_1_3a_6a_42a_12a_3a:Fe-Li-O-P-V +mp-1177780,Li2VFe(P2O7)2,-7.7330204357,-2.6294465722,0.000769788,-0.0061856553,GGA+U,P1,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Fe-Li-O-P-V,44.0,AB2C14D4E_aP44_1_2a_4a_28a_8a_2a:Fe-Li-O-P-V +mp-1177781,Li2VFe(P2O7)2,-7.7337902236,-2.6302163601,0.0,-0.0069554433,GGA+U,P1,AB2C14D4E_aP22_1_a_2a_14a_4a_a:Fe-Li-O-P-V,44.0,AB2C14D4E_aP22_1_a_2a_14a_4a_a:Fe-Li-O-P-V +mp-759523,Li2VFe(P2O7)2,-7.7332885589,-2.6297146953,0.0005016648,-0.0064537785,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Fe-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_3a_27a_7a_a:Fe-Li-O-P-V, expected Li3VFeP7O27 to be Li2VFe(P2O7)2" +mp-759760,Li2VFe(P2O7)2,-7.7326937059,-2.6291198424,0.0010965177,-0.0058589256,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Fe-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_2a_26a_6a_a:Fe-Li-O-P-V, expected Li2VFe(P3O13)2 to be Li2VFe(P2O7)2" +mp-760164,Li2VFe(P2O7)2,-7.7329043595,-2.629330496,0.0008858641,-0.0060695792,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Fe-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_2a_26a_6a_a:Fe-Li-O-P-V, expected Li2VFe(P3O13)2 to be Li2VFe(P2O7)2" +mp-1177776,Li2VFe(P2O7)2,-7.7328067864,-2.6292329228,0.0009834373,-0.005972006,GGA+U,P2_1,AB2C14D4E_mP44_4_a_2a_14a_4a_a:Fe-Li-O-P-V,44.0,"Invalid WP multiplicities - AB2C14D4E_mP44_4_a_3a_27a_7a_a:Fe-Li-O-P-V, expected Li3VFeP7O27 to be Li2VFe(P2O7)2" +mp-1177512,Li3VFe(P2O7)2,-7.609036333,-2.6443603389,0.0002882958,0.0002882958,GGA+U,P1,AB3C14D4E_aP23_1_a_3a_14a_4a_a:Fe-Li-O-P-V,46.0,AB3C14D4E_aP23_1_a_3a_14a_4a_a:Fe-Li-O-P-V +mp-1176939,Li6V3Fe(PO4)6,-7.6588636255,-2.6994731073,0.0,-0.0235315907,GGA+U,P1,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-V,40.0,AB6C24D6E3_aP40_1_a_6a_24a_6a_3a:Fe-Li-O-P-V +mp-757753,Li6VFe3(PO4)6,-7.447152896,-2.5184566207,0.0533246105,0.0533246105,GGA+U,P1,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-V,40.0,A3B6C24D6E_aP40_1_3a_6a_24a_6a_a:Fe-Li-O-P-V +mp-861602,Li2VFe(PO4)2,-7.685105487499999,-2.5585420792,0.0123846896,0.0123846896,GGA+U,P2_1/m,AB2C8D2E_mP28_11_e_ad_4e2f_2e_e:Fe-Li-O-P-V,28.0,AB2C8D2E_mP28_11_e_ab_4e2f_2e_e:Fe-Li-O-P-V +mp-756847,Li6VFeP2(CO7)2,-7.2929678592,-2.387389304,0.0554188629,0.0554188629,GGA+U,Pm,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Fe-Li-O-P-V,52.0,A2BC6D14E2F_mP26_6_ab_a_ab2c_5a5b2c_ab_b:C-Fe-Li-O-P-V +mp-758577,Li8VFe7(PO4)12,-7.5344044479,-2.4548501625,0.0147628331,0.0147628331,GGA+U,P1,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-V,76.0,A7B8C48D12E_aP76_1_7a_8a_48a_12a_a:Fe-Li-O-P-V +mp-1200390,Zn3Si14H90(C15O2)2,-5.1114158607,-0.2764814854,0.0872239168,0.0872239168,GGA,P-1,A30B90C4D14E3_aP282_2_30i_90i_4i_14i_3i:C-H-O-Si-Zn,282.0,A30B90C4D14E3_aP282_2_30i_90i_4i_14i_3i:C-H-O-Si-Zn +mp-28369,GeH3Cl,-3.735963525,-0.406014995,0.0,-0.0227760551,GGA,Cmc2_1,ABC3_oC20_36_a_a_ab:Cl-Ge-H,10.0,ABC3_oC20_36_a_a_ab:Cl-Ge-H +mp-1199669,ZnSi3GeH35C13ClO,-5.1093582795,-0.2425943904,0.1098666218,0.1098666218,GGA,P2_1/c,A13BCD35EF3G_mP220_14_13e_e_e_35e_e_3e_e:C-Cl-Ge-H-O-Si-Zn,220.0,A13BCD35EF3G_mP220_14_13e_e_e_35e_e_3e_e:C-Cl-Ge-H-O-Si-Zn +mp-1199342,Si4Ge(H3C)11,-5.0868893207,-0.1930203436,0.0439979972,0.0439979972,GGA,P-1,A11BC33D4_aP98_2_11i_i_33i_4i:C-Ge-H-Si,98.0,A11BC33D4_aP98_2_11i_i_33i_4i:C-Ge-H-Si +mp-1203427,Zn3Si12H78(C13O2)2,-5.1138888666,-0.2907365385,0.0918587934,0.0918587934,GGA,P-1,A26B78C4D12E3_aP123_2_13i_39i_2i_6i_ai:C-H-O-Si-Zn,123.0,A26B78C4D12E3_aP123_2_13i_39i_2i_6i_ai:C-H-O-Si-Zn +mp-1196440,ZnSi4H35C13ClO,-5.1226967981,-0.2413458148,0.1185252409,0.1185252409,GGA,P2_1/c,A13BC35DE4F_mP220_14_13e_e_35e_e_4e_e:C-Cl-H-O-Si-Zn,220.0,A13BC35DE4F_mP220_14_13e_e_35e_e_4e_e:C-Cl-H-O-Si-Zn +mp-1204200,Si3Ge2(H3C)11,-5.061253795,-0.1837580868,0.053260254,0.053260254,GGA,P-1,A11B2C33D3_aP98_2_11i_2i_33i_3i:C-Ge-H-Si,98.0,A11B2C33D3_aP98_2_11i_2i_33i_3i:C-Ge-H-Si +mp-1173853,Na3Ca2Mg10Si16(O11F)4,-6.9045484016,-2.6502840499,0.6037790829,0.6037790829,GGA,P1,A2B4C10D3E44F16_aP79_1_2a_4a_10a_3a_44a_16a:Ca-F-Mg-Na-O-Si,79.0,A2B4C10D3E44F16_aP79_1_2a_4a_10a_3a_44a_16a:Ca-F-Mg-Na-O-Si +mp-1221470,Na2CaMg5Si8(O11F)2,-7.4749746875,-3.257357074,0.0,-0.0101425302,GGA,P1,AB2C5D2E22F8_aP40_1_a_2a_5a_2a_22a_8a:Ca-F-Mg-Na-O-Si,40.0,AB2C5D2E22F8_aP40_1_a_2a_5a_2a_22a_8a:Ca-F-Mg-Na-O-Si +mp-557662,Ca2Mg5Si8(O11F)2,-7.6657207638,-3.356355281,0.0,-0.0085963428,GGA,C2/m,A2B2C5D22E8_mC78_12_h_i_agh_i5j_2j:Ca-F-Mg-O-Si,39.0,"Invalid WP multiplicities - A2B2C5D22E8_mC78_12_h_i_ag2h_2i18j_7j:Ca-F-Mg-O-Si, expected Ca2Mg7Si28(O38F)2 to be Ca2Mg5Si8(O11F)2" +mp-1221090,NaCaMg2F7,-5.5913827732,-3.7814702236,0.0058636598,0.0058636598,GGA,Imma,AB7C2D_oI44_74_a_3ej_bc_d:Ca-F-Mg-Na,22.0,"Invalid WP multiplicities - AB7C2D_oI44_74_a_5e2j_bc_d:Ca-F-Mg-Na, expected NaCaMg2F13 to be NaCaMg2F7" +mp-1224270,KNaCa3Mg10(SiO3)16,-7.4376659751,-3.0237587472,0.1420884056,0.1420884056,GGA,P1,A3BC10DE48F16_aP79_1_3a_a_10a_a_48a_16a:Ca-K-Mg-Na-O-Si,79.0,A3BC10DE48F16_aP79_1_3a_a_10a_a_48a_16a:Ca-K-Mg-Na-O-Si +mp-1224991,K2Na2Ca4Mg15(SiO3)24,-7.5111542414,-3.1139973618,0.0355228388,0.0355228388,GGA,Cm,A4B2C15D2E72F24_mC238_8_2b_2a_3a6b_b_12a30b_12b:Ca-K-Mg-Na-O-Si,119.0,"Invalid WP multiplicities - A4B2C15D2E72F24_mC238_8_3b_2a_3a12b_b_12a55b_22b:Ca-K-Mg-Na-O-Si, expected K2Na2Ca6Mg27(Si22O61)2 to be K2Na2Ca4Mg15(SiO3)24" +mp-1223552,KNaCaMg5(SiO3)8,-7.4472203222,-3.0831453802,0.0332248794,0.0332248794,GGA,P1,ABC5DE24F8_aP40_1_a_a_5a_a_24a_8a:Ca-K-Mg-Na-O-Si,40.0,ABC5DE24F8_aP40_1_a_a_5a_a_24a_8a:Ca-K-Mg-Na-O-Si +mp-1223435,KNaCaMg5Si8(O11F)2,-7.4794141987,-3.2670997439,0.0,-0.0068997992,GGA,P1,AB2CD5EF22G8_aP40_1_a_2a_a_5a_a_22a_8a:Ca-F-K-Mg-Na-O-Si,40.0,AB2CD5EF22G8_aP40_1_a_2a_a_5a_a_22a_8a:Ca-F-K-Mg-Na-O-Si +mp-561491,KNaMg2Si4(O5F)2,-7.2578324915,-3.2266024161,0.0,-0.021226546,GGA,C2/m,A2BC2DE10F4_mC40_12_i_c_g_b_i2j_j:F-K-Mg-Na-O-Si,20.0,"Invalid WP multiplicities - A2BC2DE10F4_mC40_12_i_c_g_a_2i7j_j:F-K-Mg-Na-O-Si, expected KNaMg2Si4(O16F)2 to be KNaMg2Si4(O5F)2" +mp-1207624,YZrF7,-7.3728575617,-4.2179103932,0.0,-0.012315538,GGA,P2_1,A7BC_mP18_4_7a_a_a:F-Y-Zr,18.0,A7BC_mP18_4_7a_a_a:F-Y-Zr +mp-530429,YZr3F15,-7.3110011497,-4.1119612805,0.0,-0.0074272192,GGA,P-1,A15BC3_aP76_2_30i_2i_6i:F-Y-Zr,76.0,"Invalid WP multiplicities - A15BC3_aP76_2_59i_3i_11i:F-Y-Zr, expected Y3Zr11F59 to be YZr3F15" +mp-1215803,YZr3F15,-7.3093067776,-4.1102669084,0.0016943721,-0.0057328471,GGA,C2/c,A15BC3_mC76_15_e7f_e_ef:F-Y-Zr,38.0,"Invalid WP multiplicities - A15BC3_mC76_15_2e19f_e_ef:F-Y-Zr, expected YZr3F40 to be YZr3F15" +mp-557696,Na5Y4Si4O16F,-7.8171036867,-3.3091609737,0.0188363943,0.0188363943,GGA,I-4,AB5C16D4E4_tI60_82_a_bg_4g_g_g:F-Na-O-Si-Y,30.0,"Invalid WP multiplicities - AB5C16D4E4_tI60_82_a_b2g_12g_g_g:F-Na-O-Si-Y, expected Na9Y4Si4O48F to be Na5Y4Si4O16F" +mp-1210816,Na2Ca4YZrSi4(O5F)3,-7.7595285087,-3.5156064573,0.0,-0.0056936596,GGA,P-1,A4B3C2D15E4FG_aP60_2_4i_3i_2i_15i_4i_i_i:Ca-F-Na-O-Si-Y-Zr,60.0,A4B3C2D15E4FG_aP60_2_4i_3i_2i_15i_4i_i_i:Ca-F-Na-O-Si-Y-Zr +mp-2219435,MgMn3SnO8,-7.6625538131,-2.0725993922,0.101333339,0.101333339,GGA+U,P1,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mn-O-Sn,13.0,AB3C8D_aP13_1_a_3a_8a_a:Mg-Mn-O-Sn +mp-2220058,MgMn3SnO8,-7.6494083315,-2.0594539107,0.1144788205,0.1144788205,GGA+U,C2/m,AB3C8D_mC26_12_b_ce_2ij_a:Mg-Mn-O-Sn,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_b_ce_3i2j_a:Mg-Mn-O-Sn, expected MgMn3SnO14 to be MgMn3SnO8" +mp-2233657,MgMn3SnO8,-7.6283194946,-2.0383650738,0.1355676575,0.1355676575,GGA+U,C2/m,AB3C8D_mC26_12_b_ae_2ij_c:Mg-Mn-O-Sn,13.0,"Invalid WP multiplicities - AB3C8D_mC26_12_a_bf_4ij_c:Mg-Mn-O-Sn, expected MgMn3SnO12 to be MgMn3SnO8" +mp-2219567,MgMn3SnO8,-7.6009428538,-2.010988433,0.1629442982,0.1629442982,GGA+U,R-3m,AB3C8D_hR39_166_b_d_ch_a:Mg-Mn-O-Sn,13.0,"Invalid WP multiplicities - AB3C8D_hR39_166_b_d_2ch_a:Mg-Mn-O-Sn, expected MgMn3SnO10 to be MgMn3SnO8" +mp-1036309,Mg14MnSnO16,-6.3661574156,-2.7810784398,0.1177478184,0.1177478184,GGA+U,Pmmm,A14BC16D_oP32_47_abjlnpy_e_cdghikmoz_f:Mg-Mn-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_oP32_47_abjl2n2py_e_cdghik2m2oz_f:Mg-Mn-O-Sn, expected Mg18MnSnO20 to be Mg14MnSnO16" +mp-1036224,Mg14MnSnO16,-6.3703700931,-2.7852911173,0.1135351409,0.1135351409,GGA+U,P4/mmm,A14BC16D_tP32_123_ekln_b_acfjmo_d:Mg-Mn-O-Sn,32.0,"Invalid WP multiplicities - A14BC16D_tP32_123_ek3l3n_b_acfj3m3o_d:Mg-Mn-O-Sn, expected Mg30MnSnO32 to be Mg14MnSnO16" +mp-1221913,Na3Mg2Mn4Be6Si9(SnO13)3,-7.4658758316,-2.616934742,0.2177456635,0.2177456635,GGA+U,C2,A6B2C4D3E39F9G3_mC264_5_6c_abc_ab3c_3c_39c_2a2b7c_3c:Be-Mg-Mn-Na-O-Si-Sn,132.0,"Invalid WP multiplicities - A6B2C4D3E39F9G3_mC264_5_12c_abc_ab5c_6c_76c_2a2b12c_6c:Be-Mg-Mn-Na-O-Si-Sn, expected Na3MgMn3Be6Si7Sn3O38 to be Na3Mg2Mn4Be6Si9(SnO13)3" +mp-1038158,Mg30MnSnO32,-6.3504056409,-2.9211239627000003,0.0553093161,0.0553093161,GGA+U,P4/mmm,A30BC32D_tP64_123_abefjkst_c_ghilmnor_d:Mg-Mn-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_ab2e2f4j4k3s3t_c_ghi4l4m4n4or_d:Mg-Mn-O-Sn, expected Mg90MnSnO80 to be Mg30MnSnO32" +mp-1038154,Mg30MnSnO32,-6.3520887019,-2.9228070236,0.0536262552,0.0536262552,GGA+U,P4/mmm,A30BC32D_tP64_123_acefjkst_b_ghilmnor_d:Mg-Mn-O-Sn,64.0,"Invalid WP multiplicities - A30BC32D_tP64_123_acefjk6s6t_b_2g2h2i3l3m3n3or_d:Mg-Mn-O-Sn, expected Mg110MnSnO72 to be Mg30MnSnO32" +mp-1031945,Mg6MnSnO8,-6.4119956056,-2.5153220346,0.2282901825,0.2282901825,GGA+U,P4/mmm,A6BC8D_tP16_123_abi_c_efgh_d:Mg-Mn-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_abi_c_2e2fgh_d:Mg-Mn-O-Sn, expected Mg6MnSnO12 to be Mg6MnSnO8" +mp-1099241,Mg6MnSnO8,-6.4320272669000005,-2.5353536958,0.2082585212,0.2082585212,GGA+U,P4/mmm,A6BC8D_tP16_123_aci_b_efgh_d:Mg-Mn-O-Sn,16.0,"Invalid WP multiplicities - A6BC8D_tP16_123_aci_b_2e2fgh_d:Mg-Mn-O-Sn, expected Mg6MnSnO12 to be Mg6MnSnO8" +mp-2715657,Na14Ca4Ti4Si7S5O48,-7.0467522382,-2.7269930262,0.0951295827,0.0951295827,GGA,P1,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Ti,246.0,A4B14C48D5E7F4_aP246_1_12a_42a_144a_15a_21a_12a:Ca-Na-O-S-Si-Ti +mp-2713148,Na10Ca3Ti5Si6(SO8)6,-7.2181220032,-2.6856710009,0.1324295542,0.1324295542,GGA,P1,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Ti,234.0,A3B10C48D6E6F5_aP234_1_9a_30a_144a_18a_18a_15a:Ca-Na-O-S-Si-Ti +mp-2713228,Na4CaTi3Si3(SO8)3,-7.4141775698,-2.7197562576000003,0.1206135195,0.1206135195,GGA,P1,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Ti,114.0,AB4C24D3E3F3_aP114_1_3a_12a_72a_9a_9a_9a:Ca-Na-O-S-Si-Ti +mp-2714789,Na6CaTi7Si6(SO8)6,-7.6224367382,-2.7572899642,0.0730104312,0.0730104312,GGA,P1,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Ti,222.0,AB6C48D6E6F7_aP222_1_3a_18a_144a_18a_18a_21a:Ca-Na-O-S-Si-Ti +mp-2714520,Na2Ca2Ti2SiS5O24,-7.1660048632,-2.5194678962,0.0622804784,0.0622804784,GGA,P1,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Ti,108.0,A2B2C24D5EF2_aP108_1_6a_6a_72a_15a_3a_6a:Ca-Na-O-S-Si-Ti +mp-2713689,Na2CaTiSi(SO6)2,-7.0702685135,-2.564761946,0.1631517089,0.1631517089,GGA,Cc,AB2C12D2EF_mC228_9_3a_6a_36a_6a_3a_3a:Ca-Na-O-S-Si-Ti,114.0,"Invalid WP multiplicities - AB2C12D2EF_mC228_9_3a_6a_60a_9a_3a_3a:Ca-Na-O-S-Si-Ti, expected Na2CaTiSiS3O20 to be Na2CaTiSi(SO6)2" +mp-2714964,Na10Ca4Ti4Si5S7O48,-7.0438215287,-2.6034059149,0.1599083242,0.1599083242,GGA,P1,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Ti,234.0,A4B10C48D7E5F4_aP234_1_12a_30a_144a_21a_15a_12a:Ca-Na-O-S-Si-Ti +mp-2716037,Na6Ca2Ti6Si5S7O48,-7.4335255672,-2.6653890674,0.1071635894,0.1071635894,GGA,P1,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Ti,222.0,A2B6C48D7E5F6_aP222_1_6a_18a_144a_21a_15a_18a:Ca-Na-O-S-Si-Ti +mp-2714360,Na4CaTiSi2SO12,-6.9871499074,-2.7234097392,0.1209035413,0.1209035413,GGA,Cc,AB4C12DE2F_mC84_9_a_4a_12a_a_2a_a:Ca-Na-O-S-Si-Ti,126.0,"Invalid WP multiplicities - AB4C12DE2F_mC84_9_a_14a_60a_a_7a_a:Ca-Na-O-S-Si-Ti, expected Na14CaTiSi7SO60 to be Na4CaTiSi2SO12" +mp-2715906,Na14Ca6Ti2Si5S7O48,-6.7539746091,-2.6093071118,0.1100650066,0.1100650066,GGA,P1,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Ti,246.0,A6B14C48D7E5F2_aP246_1_18a_42a_144a_21a_15a_6a:Ca-Na-O-S-Si-Ti +mp-2713108,CaTi3SiS5O24,-7.5258080896,-2.5105089024,0.01868983,0.01868983,GGA,P1,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Ti,102.0,AB24C5DE3_aP102_1_3a_72a_15a_3a_9a:Ca-O-S-Si-Ti +mp-2713886,Na6Ca4Ti4Si3(S3O16)3,-7.1528553552,-2.5787394041,0.0780668171,0.0780668171,GGA,P1,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Ti,222.0,A4B6C48D9E3F4_aP222_1_12a_18a_144a_27a_9a_12a:Ca-Na-O-S-Si-Ti +mp-2714815,Na14Ca2Ti6Si9(SO16)3,-7.3302553757,-2.8354044491,0.087281333,0.087281333,GGA,P1,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Ti,246.0,A2B14C48D3E9F6_aP246_1_6a_42a_144a_9a_27a_18a:Ca-Na-O-S-Si-Ti +mp-2716221,Na6Ca2Ti2Si3(SO8)3,-7.0193463961,-2.6407671882,0.1561776059,0.1561776059,GGA,P1,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Ti,120.0,A2B6C24D3E3F2_aP120_1_6a_18a_72a_9a_9a_6a:Ca-Na-O-S-Si-Ti +mp-2715855,Na10Ca2Ti6Si7S5O48,-7.3927083665,-2.7682219757,0.1046648953,0.1046648953,GGA,P1,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Ti,234.0,A2B10C48D5E7F6_aP234_1_6a_30a_144a_15a_21a_18a:Ca-Na-O-S-Si-Ti +mp-2712680,Na2CaTi3Si2(SO6)4,-7.4822534344,-2.636306459,0.0646614598,0.0646614598,GGA,P1,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Ti,108.0,AB2C24D4E2F3_aP108_1_3a_6a_72a_12a_6a_9a:Ca-Na-O-S-Si-Ti +mp-2713352,Na4Ca3TiSiS5O24,-6.84389445,-2.5273026272,0.0876661962,0.0876661962,GGA,P1,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Ti,114.0,A3B4C24D5EF_aP114_1_9a_12a_72a_15a_3a_3a:Ca-Na-O-S-Si-Ti +mp-2714952,Na8Ca3TiSi3(SO8)3,-6.7281209865000005,-2.6353036826,0.1044205669,0.1044205669,GGA,P1,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Ti,126.0,A3B8C24D3E3F_aP126_1_9a_24a_72a_9a_9a_3a:Ca-Na-O-S-Si-Ti +mp-561052,Ba4Na2CaTi3Si4(SO13)2,-7.758176565,-3.1248169311,0.0203433548,0.0203433548,GGA,P1,A4BC2D26E2F4G3_aP42_1_4a_a_2a_26a_2a_4a_3a:Ba-Ca-Na-O-S-Si-Ti,42.0,A4BC2D26E2F4G3_aP42_1_4a_a_2a_26a_2a_4a_3a:Ba-Ca-Na-O-S-Si-Ti +mp-2714024,Na2Ca4Ti4SiS11O48,-7.1928632907,-2.4697669639,0.0234702404,0.0234702404,GGA,P1,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Ti,210.0,A4B2C48D11EF4_aP210_1_12a_6a_144a_33a_3a_12a:Ca-Na-O-S-Si-Ti +mp-2714254,Na14Ca5Ti3Si6(SO8)6,-6.8791194336,-2.6469060789,0.1244769898,0.1244769898,GGA,P1,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Ti,246.0,A5B14C48D6E6F3_aP246_1_15a_42a_144a_18a_18a_9a:Ca-Na-O-S-Si-Ti +mp-2712659,Na6Ca3TiSi2(SO6)4,-6.7794252473,-2.5803150469,0.1081831975,0.1081831975,GGA,P1,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Ti,120.0,A3B6C24D4E2F_aP120_1_9a_18a_72a_12a_6a_3a:Ca-Na-O-S-Si-Ti +mp-2716191,Na8CaTi3Si5SO24,-7.3062775111,-2.8716144786,0.069973514,0.069973514,GGA,P1,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Ti,126.0,AB8C24DE5F3_aP126_1_3a_24a_72a_3a_15a_9a:Ca-Na-O-S-Si-Ti +mp-2714702,Na10Ca6Ti2Si3(S3O16)3,-6.8120035134,-2.5556586765,0.0980829307,0.0980829307,GGA,P1,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Ti,234.0,A6B10C48D9E3F2_aP234_1_18a_30a_144a_27a_9a_6a:Ca-Na-O-S-Si-Ti +mp-2713611,Na6Ca6Ti2SiS11O48,-6.8671782075,-2.487082805,0.0537260217,0.0537260217,GGA,P1,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Ti,222.0,A6B6C48D11EF2_aP222_1_18a_18a_144a_33a_3a_6a:Ca-Na-O-S-Si-Ti +mp-2714514,Na6CaTi3Si4(SO12)2,-7.3574912048,-2.7994429895,0.101517862,0.101517862,GGA,P1,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Ti,120.0,AB6C24D2E4F3_aP120_1_3a_18a_72a_6a_12a_9a:Ca-Na-O-S-Si-Ti +mp-2716475,Na2Ca2Ti6Si3(S3O16)3,-7.5050645489,-2.5768607849,0.0481665402,0.0481665402,GGA,P1,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Ti,210.0,A2B2C48D9E3F6_aP210_1_6a_6a_144a_27a_9a_18a:Ca-Na-O-S-Si-Ti +mp-568270,KTiCl3,-4.92270948,-2.0124092913,0.0119125757,0.0119125757,GGA,P6_3,A3BC_hP30_173_3c_c_a2b:Cl-K-Ti,30.0,"Invalid WP multiplicities - A3BC_hP30_173_11c_c_2a4b:Cl-K-Ti, expected KTi2Cl11 to be KTiCl3" +mp-1203502,KTi4Cl11,-5.3480276884,-2.0338857963,0.0,-0.0197501114,GGA,Pnma,A11BC4_oP64_62_5c3d_c_2cd:Cl-K-Ti,64.0,A11BC4_oP64_62_5c3d_c_2cd:Cl-K-Ti +mp-657234,K3TiCl6,-4.2831874757,-2.051396594,0.1401016277,0.1321087913,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ab:Cl-K-Ti,40.0,"Invalid WP multiplicities - A6B3C_mP40_14_22e_11e_ab:Cl-K-Ti, expected K11TiCl22 to be K3TiCl6" +mp-628784,K3TiCl6,-4.299665159,-2.0678742772,0.1236239445,0.115631108,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Ti,40.0,"Invalid WP multiplicities - A6B3C_mP40_14_22e_11e_ab:Cl-K-Ti, expected K11TiCl22 to be K3TiCl6" +mp-1205449,K3TiCl6,-4.4232891035,-2.1914982217,0.0,-0.0079928365,GGA,P2_1/c,A6B3C_mP40_14_6e_3e_ad:Cl-K-Ti,40.0,A6B3C_mP40_14_6e_3e_ad:Cl-K-Ti +mp-23149,K4Al3Si3ClO12,-7.1622411893,-3.1116725562,0.0,-0.0028949249,GGA,P-43n,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-K-O-Si,46.0,A3BC4D12E3_cP46_218_c_a_e_i_d:Al-Cl-K-O-Si +mp-1223736,K6Na3Ti2Al2Si8Cl3O26,-7.2675505172,-3.0380671978,0.0050760784,0.0050760784,GGA,P-1,A2B3C6D3E26F8G2_aP50_2_i_bi_3i_ci_13i_4i_dh:Al-Cl-K-Na-O-Si-Ti,50.0,"Invalid WP multiplicities - A2B3C6D3E26F8G2_aP50_2_i_bi_5i_ci_25i_8i_dh:Al-Cl-K-Na-O-Si-Ti, expected K10Na3Ti2Al2Si16Cl3O50 to be K6Na3Ti2Al2Si8Cl3O26" +mp-2716502,K3NaTi2(SiO4)3,-7.5557487119,-2.9804665789,0.066809195,0.066809195,GGA,R-3c,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Ti,126.0,A3BC12D3E2_hR126_167_e_b_2f_e_c:K-Na-O-Si-Ti +mp-27839,K2TiCl6,-4.5407290167,-2.184339031,0.0,-0.0244693211,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Cl-K-Ti,9.0,A6B2C_cF36_225_e_c_a:Cl-K-Ti +mp-1111652,K2NaAlCl6,-3.959690018,-2.1216781203,0.022366059,0.022366059,GGA,Fm-3m,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Na,10.0,AB6C2D_cF40_225_a_e_c_b:Al-Cl-K-Na +mp-1223704,KAlCl2O,-5.207511425,-2.5075640634000003,0.067098055,0.067098055,GGA,P2_1,AB2CD_mP10_4_a_2a_a_a:Al-Cl-K-O,10.0,AB2CD_mP10_4_a_2a_a_a:Al-Cl-K-O +mp-1200564,ZnSi3GeH35C13BrO,-5.0988281793,-0.2374371688,0.1086612529,0.1086612529,GGA,P-1,AB13CD35EF3G_aP110_2_i_13i_i_35i_i_3i_i:Br-C-Ge-H-O-Si-Zn,110.0,AB13CD35EF3G_aP110_2_i_13i_i_35i_i_3i_i:Br-C-Ge-H-O-Si-Zn +mp-1194720,Zn3H24C12Br11O6,-4.8119635981,-0.4778192103,0.3113646916,0.3113646916,GGA,P-1,A11B12C24D6E3_aP112_2_11i_12i_24i_6i_3i:Br-C-H-O-Zn,112.0,A11B12C24D6E3_aP112_2_11i_12i_24i_6i_3i:Br-C-H-O-Zn +mp-1195346,Zn2H24C12Br7O6,-5.075489186,-0.4629356803,0.2835492825,0.2835492825,GGA,P-1,A7B12C24D6E2_aP102_2_7i_12i_24i_6i_2i:Br-C-H-O-Zn,102.0,A7B12C24D6E2_aP102_2_7i_12i_24i_6i_2i:Br-C-H-O-Zn +mp-1194806,Zn3H24C12(Br4O3)2,-4.9879311249,-0.4963650734,0.276562701,0.276562701,GGA,P-1,A8B12C24D6E3_aP106_2_8i_12i_24i_6i_3i:Br-C-H-O-Zn,106.0,A8B12C24D6E3_aP106_2_8i_12i_24i_6i_3i:Br-C-H-O-Zn +mp-1223588,KFe4(SiO4)3,-7.9384228805,-2.4070877599,0.0317526789,0.0317526789,GGA+U,P1,A4BC12D3_aP20_1_4a_a_12a_3a:Fe-K-O-Si,20.0,A4BC12D3_aP20_1_4a_a_12a_3a:Fe-K-O-Si +mp-743972,K2NaNb2Fe7Si8H4O31,-7.8525225684,-2.5187611101,0.0130588161,0.0130588161,GGA+U,P-1,A7B4C2DE2F31G8_aP55_2_b3i_2i_i_e_i_c15i_4i:Fe-H-K-Na-Nb-O-Si,55.0,A7B4C2DE2F31G8_aP55_2_b3i_2i_i_e_i_c15i_4i:Fe-H-K-Na-Nb-O-Si +mp-19130,KNaFe(Si2O5)2,-7.7353815021,-2.9076694619000003,0.0,-0.023068458,GGA+U,P-1,ABCD10E4_aP34_2_i_i_i_10i_4i:Fe-K-Na-O-Si,34.0,ABCD10E4_aP34_2_i_i_i_10i_4i:Fe-K-Na-O-Si +mp-560716,Cs2Cr(NO3)5,-6.7866770036,-1.2507353728,0.0,-0.0832552859,GGA+U,P3_221,AB2C5D15_hP69_154_a_ab_a2c_a7c:Cr-Cs-N-O,69.0,"Invalid WP multiplicities - AB2C5D15_hP69_154_a_3a2b_3a6c_3a35c:Cr-Cs-N-O, expected Cs5CrN15O73 to be Cs2Cr(NO3)5" +mp-560270,CsCrClO3,-6.3607471121,-1.8212383394,0.0500567707,0.0500567707,GGA+U,Pnma,ABCD3_oP24_62_c_c_c_cd:Cl-Cr-Cs-O,24.0,"Invalid WP multiplicities - ABCD3_oP24_62_c_c_c_3c3d:Cl-Cr-Cs-O, expected CsCrClO9 to be CsCrClO3" +mp-1105257,CsCrH8(NO4)2,-5.3929251845,-0.6960872974,0.6890017111000001,0.6890017111000001,GGA+U,I-42m,ABC8D2E8_tI40_121_a_b_j_d_2i:Cr-Cs-H-N-O,20.0,ABC8D2E8_tI40_121_a_b_j_d_2i:Cr-Cs-H-N-O +mp-27179,CsCrBr3,-4.544500072,-1.5029931056,0.0667030093,0.0667030093,GGA,P6_3mc,A3BC_hP10_186_c_a_b:Br-Cr-Cs,10.0,A3BC_hP10_194_h_a_c:Br-Cr-Cs +mp-23451,Cs3Cr2Br9,-4.2510713393,-1.681817266,0.0,-0.0524007043,GGA,P6_3/mmc,A9B2C3_hP28_194_hk_f_bf:Br-Cr-Cs,28.0,"Invalid WP multiplicities - A9B2C3_hP28_194_3h4k_f_bf:Br-Cr-Cs, expected Cs3Cr2Br33 to be Cs3Cr2Br9" +mp-24682,CsCrH18Br2N6(ClO4)2,-5.147195905,-0.7257978031,0.4046178829,0.4046178829,GGA+U,R-3,A2B2CDE18F6G8_hR114_148_c_c_a_b_3f_f_cf:Br-Cl-Cr-Cs-H-N-O,38.0,"Invalid WP multiplicities - A2B2CDE18F6G8_hR114_148_c_c_a_b_7f_f_c2f:Br-Cl-Cr-Cs-H-N-O, expected CsCrH42Br2N6(ClO7)2 to be CsCrH18Br2N6(ClO4)2" +mp-1202581,Cs2CrH8Cl5O4,-4.9426328815,-1.5618779455,0.0055546737,0.0055546737,GGA+U,C2/c,A5BC2D8E4_mC80_15_e2f_a_f_4f_2f:Cl-Cr-Cs-H-O,40.0,A5BC2D8E4_mC80_15_e2f_a_f_4f_2f:Cl-Cr-Cs-H-O +mp-542535,Cs2CrH2Cl5O,-4.7344430786,-1.7872906863,0.0136335139,0.0136335139,GGA+U,Cmcm,A5BC2D2E_oC44_63_ch_c_2c_f_c:Cl-Cr-Cs-H-O,44.0,A5BC2D2E_oC44_63_ch_c_2c_f_c:Cl-Cr-Cs-H-O +mp-727262,Cs2CrCl5O4,-4.4210609917,-1.0482867951,0.4439495391,0.4439495391,GGA+U,P1,A5BC2D4_aP12_1_5a_a_2a_4a:Cl-Cr-Cs-O,12.0,A5BC2D4_aP12_1_5a_a_2a_4a:Cl-Cr-Cs-O +mp-1103456,Cs2CrCl5O4,-4.0694093792,-0.6966351826,0.7956011516,0.7956011516,GGA+U,C2/m,A5BC2D4_mC24_12_a2i_d_i_j:Cl-Cr-Cs-O,12.0,A5BC2D4_mC24_12_a2i_c_i_j:Cl-Cr-Cs-O +mp-24681,CsCrH18N6(ClO2)4,-5.2153984329,-0.7784472610000001,0.37274394,0.37274394,GGA+U,R-3,A4BCD18E6F8_hR114_148_2c_a_b_3f_f_cf:Cl-Cr-Cs-H-N-O,38.0,"Invalid WP multiplicities - A4BCD18E6F8_hR114_148_2c_a_b_7f_f_2c2f:Cl-Cr-Cs-H-N-O, expected CsCrH42N6(ClO4)4 to be CsCrH18N6(ClO2)4" +mp-1199528,H18AuN6Cl,-4.9238553317,-0.4542223694,0.0252542794,0.0252542794,GGA,Pbcn,ABC18D6_oP104_60_a_c_9d_3d:Au-Cl-H-N,104.0,ABC18D6_oP104_60_a_c_9d_3d:Au-Cl-H-N +mp-569084,H3AuC2NCl,-5.4399547787,-0.1781519406,0.2865948858,0.2865948858,GGA,P2_1,AB2CD3E_mP16_4_a_2a_a_3a_a:Au-C-Cl-H-N,16.0,"Invalid WP multiplicities - AB2CD3E_mP16_4_a_2a_a_6a_a:Au-C-Cl-H-N, expected H6AuC2NCl to be H3AuC2NCl" +mp-568534,P4C2Se3N2,-6.1030871352,0.012482437,0.3312172183,0.3312172183,GGA,P2_1/c,A2B2C4D3_mP44_14_2e_2e_4e_3e:C-N-P-Se,44.0,"Invalid WP multiplicities - A2B2C4D3_mP44_14_6e_7e_15e_9e:C-N-P-Se, expected P15C6Se9N7 to be P4C2Se3N2" +mp-2715767,NaTi2Nb2SiP5O24,-8.3741541186,-2.987626146,0.0191783269,0.0191783269,GGA,P1,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Ti,105.0,AB2C24D5EF2_aP105_1_3a_6a_72a_15a_3a_6a:Na-Nb-O-P-Si-Ti +mp-2712999,Na3Ti2Nb2Si3(PO8)3,-8.1840008183,-3.0164991785,0.0208598279,0.0208598279,GGA,P1,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Ti,111.0,A3B2C24D3E3F2_aP111_1_9a_6a_72a_9a_9a_6a:Na-Nb-O-P-Si-Ti +mp-1221506,Na11TiNb2Si4(PO13)2,-7.2087003078,-2.7785337002,0.0184192113,0.0184192113,GGA,P1,A11B2C26D2E4F_aP46_1_11a_2a_26a_2a_4a_a:Na-Nb-O-P-Si-Ti,46.0,A11B2C26D2E4F_aP46_1_11a_2a_26a_2a_4a_a:Na-Nb-O-P-Si-Ti +mp-2716518,Na5Ti2Nb2Si5PO24,-7.9782040574,-3.007264511,0.0434050809,0.0434050809,GGA,P1,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Ti,117.0,A5B2C24DE5F2_aP117_1_15a_6a_72a_3a_15a_6a:Na-Nb-O-P-Si-Ti +mp-2715783,NaTiNbSi(PO6)2,-8.2808341439,-3.0068613701,0.0176882865,0.0176882865,GGA,Cc,ABC12D2EF_mC216_9_3a_3a_36a_6a_3a_3a:Na-Nb-O-P-Si-Ti,108.0,"Invalid WP multiplicities - ABC12D2EF_mC216_9_3a_3a_60a_9a_3a_3a:Na-Nb-O-P-Si-Ti, expected NaTiNbSiP3O20 to be NaTiNbSi(PO6)2" +mp-2713786,NaTi3Nb(PO4)6,-8.3112123065,-2.9880508638,0.0068311864,0.0068311864,GGA,P3,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Ti,105.0,ABC24D6E3_hP105_143_a2b_2ac_24d_6d_2a4b3c:Na-Nb-O-P-Ti +mp-2713031,Na2TiNbSi2PO12,-8.0768492423,-3.0102149925,0.0371732438,0.0371732438,GGA,Cc,A2BC12DE2F_mC76_9_2a_a_12a_a_2a_a:Na-Nb-O-P-Si-Ti,114.0,"Invalid WP multiplicities - A2BC12DE2F_mC76_9_2a_a_72a_a_12a_a:Na-Nb-O-P-Si-Ti, expected Na2TiNbSi12PO72 to be Na2TiNbSi2PO12" +mp-1221508,Na11TiNb2Si4P2O25F,-7.22409454,-2.8599107529000003,0.0,-0.0021485608,GGA,P1,AB11C2D25E2F4G_aP46_1_a_11a_2a_25a_2a_4a_a:F-Na-Nb-O-P-Si-Ti,46.0,AB11C2D25E2F4G_aP46_1_a_11a_2a_25a_2a_4a_a:F-Na-Nb-O-P-Si-Ti +mp-1200090,Na7TiNb2Si4P2O29F,-7.0115341657,-2.3322057335,0.2415371114,0.2415371114,GGA,P1,AB7C2D29E2F4G_aP46_1_a_7a_2a_29a_2a_4a_a:F-Na-Nb-O-P-Si-Ti,46.0,AB7C2D29E2F4G_aP46_1_a_7a_2a_29a_2a_4a_a:F-Na-Nb-O-P-Si-Ti +mp-1210688,Na11TiNb2Si4P2(O12F)2,-7.1612709241,-2.8630699575,0.0107117929,0.0107117929,GGA,P-1,A2B11C2D24E2F4G_aP46_2_i_a5i_i_12i_i_2i_c:F-Na-Nb-O-P-Si-Ti,46.0,A2B11C2D24E2F4G_aP46_2_i_a5i_i_12i_i_2i_c:F-Na-Nb-O-P-Si-Ti +mp-1227599,CdH9C3SBrCl2O,-4.6339889062,-0.5519521912,0.1284085206,0.1284085206,GGA,P2_12_12_1,AB3CD2E9FG_oP72_19_a_3a_a_2a_9a_a_a:Br-C-Cd-Cl-H-O-S,72.0,AB3CD2E9FG_oP72_19_a_3a_a_2a_9a_a_a:Br-C-Cd-Cl-H-O-S +mp-698349,CdH6C4(S2O)2,-5.4087374924,-0.4303207341,0.2404528019,0.2404528019,GGA,C2/c,A4BC6D2E4_mC68_15_2f_c_3f_f_2f:C-Cd-H-O-S,34.0,A4BC6D2E4_mC68_15_2f_a_3f_f_2f:C-Cd-H-O-S +mp-1221089,NaCaMgAl(SiO3)4,-7.7381459615,-3.2513700761,0.0185374248,0.0185374248,GGA,C2,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Al-Ca-Mg-Na-O-Si,20.0,ABCDE12F4_mC40_5_a_a_b_b_6c_2c:Al-Ca-Mg-Na-O-Si +mp-720244,NaCaMgAl(SiO3)4,-7.4447001357,-2.9579242503,0.3119832505,0.3119832505,GGA,Pc,ABCDE12F4_mP40_7_a_a_a_a_12a_4a:Al-Ca-Mg-Na-O-Si,40.0,"Invalid WP multiplicities - ABCDE12F4_mP40_7_a_a_a_a_22a_6a:Al-Ca-Mg-Na-O-Si, expected NaCaMgAl(Si3O11)2 to be NaCaMgAl(SiO3)4" +mp-1256265,NaCaMgAl(SiO3)4,-7.471736164,-2.9849602786,0.2849472223,0.2849472223,GGA,Pc,ABCDE12F4_mP40_7_a_a_a_a_12a_4a:Al-Ca-Mg-Na-O-Si,40.0,"Invalid WP multiplicities - ABCDE12F4_mP40_7_a_a_a_a_22a_6a:Al-Ca-Mg-Na-O-Si, expected NaCaMgAl(Si3O11)2 to be NaCaMgAl(SiO3)4" +mp-1191931,Na3CaMg3AlF14,-5.5690313814,-3.692654232,0.0,-0.0069155598,GGA,R-3m,ABC14D3E3_hR66_166_a_b_c2h_d_e:Al-Ca-F-Mg-Na,22.0,ABC14D3E3_hR66_166_a_b_c2h_d_e:Al-Ca-F-Mg-Na +mp-19931,Na2MgAlF7,-5.5241685982,-3.5813268491,6.60445e-05,-0.007260844,GGA,Ima2,AB7CD2_oI44_46_a_b3c_b_ab:Al-F-Mg-Na,22.0,AB7CD2_oI44_46_a_b3c_b_ab:Al-F-Mg-Na +mp-6319,Na2MgAlF7,-5.5242346427,-3.5813928937,0.0,-0.0073268885,GGA,Imma,AB7CD2_oI44_74_a_ehj_c_bd:Al-F-Mg-Na,22.0,AB7CD2_oI44_74_a_ehj_c_bd:Al-F-Mg-Na +mp-1221134,NaCa2Mg5AlSi7(O11F)2,-7.521270464,-3.3285695409,8.97656e-05,8.97656e-05,GGA,P1,AB2C2D5EF22G7_aP40_1_a_2a_2a_5a_a_22a_7a:Al-Ca-F-Mg-Na-O-Si,40.0,AB2C2D5EF22G7_aP40_1_a_2a_2a_5a_a_22a_7a:Al-Ca-F-Mg-Na-O-Si +mp-707888,RbAs7H24C8N3,-4.9737779473,-0.00032221,0.2585302681,0.2585302681,GGA,P2_1/c,A7B8C24D3E_mP172_14_7e_8e_24e_3e_e:As-C-H-N-Rb,172.0,A7B8C24D3E_mP172_14_7e_8e_24e_3e_e:As-C-H-N-Rb +mp-647987,RbBiC4(SN)4,-6.7464924007,-0.2016735193,0.1582873623,0.1582873623,GGA,P2_12_12,AB4C4DE4_oP28_18_a_2c_2c_b_2c:Bi-C-N-Rb-S,28.0,"Invalid WP multiplicities - AB4C4DE4_oP28_18_a_6c_4c_b_5c:Bi-C-N-Rb-S, expected RbBiC12(S5N4)2 to be RbBiC4(SN)4" +mp-556621,RbBiAs6H24C8(S6N)2,-5.0366332048,-0.3266170769,0.0503121024,0.0503121024,GGA,R-3,A6BC8D24E2FG12_hR162_148_f_a_cf_4f_c_b_2f:As-Bi-C-H-N-Rb-S,54.0,"Invalid WP multiplicities - A6BC8D24E2FG12_hR162_148_f_a_2c3f_22f_c_b_5f:As-Bi-C-H-N-Rb-S, expected RbBiAs6H132C22(S15N)2 to be RbBiAs6H24C8(S6N)2" +mp-1223527,KMg3AlGe3(O5F)2,-6.6523265810000005,-2.811539404,0.0,-0.0193100123,GGA,P1,AB2C3DE3F10_aP20_1_a_2a_3a_a_3a_10a:Al-F-Ge-K-Mg-O,20.0,AB2C3DE3F10_aP20_1_a_2a_3a_a_3a_10a:Al-F-Ge-K-Mg-O +mp-20757,MnAlGe,-6.0511592033,-0.2076195443,0.0,-0.026095715,GGA,P4/nmm,ABC_tP6_129_c_c_a:Al-Ge-Mn,6.0,ABC_tP6_129_c_c_a:Al-Ge-Mn +mp-706448,Mn14Al56Ge3,-5.0461829818,-0.2257782676,0.0,-0.0135042945,GGA,P-3,A56B3C14_hP73_147_c9g_ad_d2g:Al-Ge-Mn,73.0,"Invalid WP multiplicities - A56B3C14_hP73_147_2c52g_ad_d10g:Al-Ge-Mn, expected Mn62Al316Ge3 to be Mn14Al56Ge3" +mp-1223590,KMgMn2AlGe3(O5F)2,-7.1759159765,-2.5789552753,0.0,-0.002996668,GGA+U,P1,AB2C3DEF2G10_aP20_1_a_2a_3a_a_a_2a_10a:Al-F-Ge-K-Mg-Mn-O,20.0,AB2C3DEF2G10_aP20_1_a_2a_3a_a_a_2a_10a:Al-F-Ge-K-Mg-Mn-O +mp-1033146,Mg6MnAlO8,-6.6223105494,-2.7421367299,0.2195471968,0.2195471968,GGA+U,P4/mmm,AB6CD8_tP16_123_a_cdi_b_efgh:Al-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_cdi_b_2e2fgh:Al-Mg-Mn-O, expected Mg6MnAlO12 to be Mg6MnAlO8" +mp-1033174,Mg6MnAlO8,-6.6094003756,-2.7292265561,0.2324573705,0.2324573705,GGA+U,P4/mmm,AB6CD8_tP16_123_a_bdi_c_efgh:Al-Mg-Mn-O,16.0,"Invalid WP multiplicities - AB6CD8_tP16_123_a_bdi_c_2e2fgh:Al-Mg-Mn-O, expected Mg6MnAlO12 to be Mg6MnAlO8" +mp-2217675,MgMn2Al2O6,-7.8947758909,-2.7042672944,0.1634335559,0.1634335559,GGA+U,P1,A2BC2D6_aP11_1_2a_a_2a_6a:Al-Mg-Mn-O,11.0,A2BC2D6_aP11_1_2a_a_2a_6a:Al-Mg-Mn-O +mp-2217878,MgMn2Al2O6,-7.9596292764,-2.7691206799,0.0985801705,0.0985801705,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Al-Mg-Mn-O,11.0,A2BC2D6_hR33_148_c_a_c_f:Al-Mg-Mn-O +mp-2217896,MgMn2Al2O6,-7.9046333836,-2.7141247871000003,0.1535760632,0.1535760632,GGA+U,R-3,A2BC2D6_hR33_148_c_a_c_f:Al-Mg-Mn-O,11.0,"Invalid WP multiplicities - A2BC2D6_aP11_2_i_a_i_5i:Al-Mg-Mn-O, expected MgMn2Al2O10 to be MgMn2Al2O6" +mp-1211470,Mn3Al2(GeO4)3,-7.8650265127,-2.4546992309,0.0,-0.0045186847,GGA+U,Ia-3d,A2B3C3D12_cI160_230_a_d_c_h:Al-Ge-Mn-O,80.0,A2B3C3D12_cI160_230_a_d_c_h:Al-Ge-Mn-O +mp-7825,K2GeF6,-5.0687610378,-3.0340166429,0.0035157944,-0.2347475567,GGA,P-3m1,A6BC2_hP9_164_i_a_d:F-Ge-K,9.0,A6BC2_hP9_164_i_a_d:F-Ge-K +mp-14168,K2GeF6,-5.0722768322,-3.0375324373,0.0,-0.2382633511,GGA,P6_3mc,A6BC2_hP18_186_2c_b_ab:F-Ge-K,18.0,A6BC2_hP18_186_2c_b_ab:F-Ge-K +mp-1212053,K2MgGeO4,-5.8908687856,-2.3620112051,0.0,-0.0567929756,GGA,Pca2_1,AB2CD4_oP64_29_2a_4a_2a_8a:Ge-K-Mg-O,64.0,AB2CD4_oP64_29_2a_4a_2a_8a:Ge-K-Mg-O +mp-1036650,Mg14MnAlO16,-6.4819129525,-2.9050838524,0.1027782606,0.1027782606,GGA+U,Pmmm,AB14CD16_oP32_47_a_bfjlnpy_e_cdghikmoz:Al-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_oP32_47_a_bf2j2lnpy_e_cdgh2i2kmoz:Al-Mg-Mn-O, expected Mg18MnAlO20 to be Mg14MnAlO16" +mp-1036637,Mg14MnAlO16,-6.4771837787,-2.9003546787000003,0.1075074343,0.1075074343,GGA+U,P4/mmm,AB14CD16_tP32_123_a_fjmo_c_bdekln:Al-Mg-Mn-O,32.0,"Invalid WP multiplicities - AB14CD16_tP32_123_a_fj3m3o_c_bdek3l3n:Al-Mg-Mn-O, expected Mg30MnAlO32 to be Mg14MnAlO16" +mp-1038365,Mg30MnAlO32,-6.4066768253,-2.981520085,0.0494311212,0.0494311212,GGA+U,P4/mmm,AB30CD32_tP64_123_a_bdefjkst_c_ghilmnor:Al-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_bdefjk6s6t_c_2g2h2i3l3m3n3or:Al-Mg-Mn-O, expected Mg110MnAlO72 to be Mg30MnAlO32" +mp-1038409,Mg30MnAlO32,-6.4079220445,-2.9827653042,0.048185902,0.048185902,GGA+U,P4/mmm,AB30CD32_tP64_123_a_cdefjkst_b_ghilmnor:Al-Mg-Mn-O,64.0,"Invalid WP multiplicities - AB30CD32_tP64_123_a_cd2e2f4j4k3s3t_b_ghi4l4m4n4or:Al-Mg-Mn-O, expected Mg90MnAlO80 to be Mg30MnAlO32" +mp-561437,Al2Ge(O2F)2,-7.1423908575,-3.1730694914,0.0,-0.0570078629,GGA,Pnma,A2B2CD4_oP36_62_d_d_c_2cd:Al-F-Ge-O,36.0,"Invalid WP multiplicities - A2B2CD4_oP36_62_d_d_c_7c6d:Al-F-Ge-O, expected Al2GeO19F2 to be Al2Ge(O2F)2" +mp-1227900,BaLiMg2AlSi3(O5F)2,-7.3751695245,-3.3581778808,0.0156147305,0.0156147305,GGA,P1,ABC2DE2F10G3_aP20_1_a_a_2a_a_2a_10a_3a:Al-Ba-F-Li-Mg-O-Si,20.0,ABC2DE2F10G3_aP20_1_a_a_2a_a_2a_10a_3a:Al-Ba-F-Li-Mg-O-Si +mp-1193222,LiMgAlF6,-5.7999933533,-3.7195875143,0.0,-0.0064762594,GGA,P321,AB6CD_hP27_150_ad_3g_f_e:Al-F-Li-Mg,27.0,AB6CD_hP27_150_ad_3g_f_e:Al-F-Li-Mg +mp-570771,BaLi2(MgSi)2,-3.1149209357,-0.2880613881,0.0,-0.0021882025,GGA,R-3m,AB2C2D2_hR21_166_a_c_c_c:Ba-Li-Mg-Si,7.0,AB2C2D2_hR21_166_a_c_c_c:Ba-Li-Mg-Si +mp-543044,BaLiAlF6,-5.9774461053,-3.8616297229,0.0,-0.0063906704,GGA,P2_1/c,ABC6D_mP36_14_e_e_6e_e:Al-Ba-F-Li,36.0,ABC6D_mP36_14_e_e_6e_e:Al-Ba-F-Li +mp-694056,BaMg2Al6(Si3O10)3,-8.0149238658,-3.3311423319,0.0272998956,0.0272998956,GGA,P1,A6BC2D30E9_aP96_1_12a_2a_4a_60a_18a:Al-Ba-Mg-O-Si,96.0,A6BC2D30E9_aP96_1_12a_2a_4a_60a_18a:Al-Ba-Mg-O-Si +mp-1227048,CaLaAl4,-4.0482620967,-0.3942770458,0.022610505,0.022610505,GGA,F-43m,A4BC_cF24_216_e_a_c:Al-Ca-La,6.0,A4BC_cF24_216_e_a_c:Al-Ca-La +mp-1227186,CaLaAl3O7,-7.9757883038,-3.5753586826,0.0,-0.0081946137,GGA,P2_1,A3BCD7_mP24_4_3a_a_a_7a:Al-Ca-La-O,24.0,A3BCD7_mP24_4_3a_a_a_7a:Al-Ca-La-O +mp-1227111,CaLaAl3O7,-7.9736023392,-3.573172718,0.0021859646,-0.0060086492,GGA,Cmm2,A3BCD7_oC48_35_cde_d_e_abde2f:Al-Ca-La-O,24.0,"Invalid WP multiplicities - A3BCD7_oC48_35_c2d2e_d_e_ab2d2e7f:Al-Ca-La-O, expected CaLaAl5O19 to be CaLaAl3O7" +mp-1195311,CaLaMgAl2Si3HO13,-7.8672060484,-3.3213573177,0.0028034339,0.0028034339,GGA,P2_1/m,A2BCDEF13G3_mP44_11_ac_e_e_e_e_7e3f_3e:Al-Ca-H-La-Mg-O-Si,44.0,A2BCDEF13G3_mP44_11_ac_e_e_e_e_7e3f_3e:Al-Ca-H-La-Mg-O-Si +mp-744386,Al9Fe2Si4HO24,-7.9254300915,-3.0638112884,0.0621409434,0.0621409434,GGA+U,C2/m,A9B2CD24E4_mC80_12_aghj_i_c_2i5j_j:Al-Fe-H-O-Si,40.0,A9B2CD24E4_mC80_12_aghj_i_d_2i5j_j:Al-Fe-H-O-Si +mp-734098,Ca2Al2FeSi4BO16,-8.0369877663,-3.1331394625,0.063922652,0.063922652,GGA+U,P-1,A2BC2DE16F4_aP52_2_2i_i_2i_i_16i_4i:Al-B-Ca-Fe-O-Si,52.0,A2BC2DE16F4_aP52_2_2i_i_2i_i_16i_4i:Al-B-Ca-Fe-O-Si +mp-1227544,Ca8Al9Fe3Si12(HO13)4,-7.7992813265,-3.1280588416,0.0132193521,0.0132193521,GGA+U,Pm,A9B8C3D4E52F12_mP88_6_a4c_4a4b_a2b_2a2b_14a14b12c_6a6b:Al-Ca-Fe-H-O-Si,88.0,"Invalid WP multiplicities - A9B8C3D4E52F12_mP88_6_a6c_4a4b_a2b_2a2b_14a14b24c_6a6b:Al-Ca-Fe-H-O-Si, expected Ca8Al13Fe3Si12(HO19)4 to be Ca8Al9Fe3Si12(HO13)4" +mp-1227584,Ca8Al9Fe3Si12(HO13)4,-7.7990917245,-3.1278692397,0.013408954,0.013408954,GGA+U,Pm,A9B8C3D4E52F12_mP88_6_a4c_4a4b_a2b_2a2b_14a14b12c_6a6b:Al-Ca-Fe-H-O-Si,88.0,"Invalid WP multiplicities - A9B8C3D4E52F12_mP88_6_a7c_4a4b_a2b_2a2b_14a14b24c_6a6b:Al-Ca-Fe-H-O-Si, expected Ca8Al15Fe3Si12(HO19)4 to be Ca8Al9Fe3Si12(HO13)4" +mp-1227188,Ca4Si3B5(HO4)5,-7.52132548,-2.8296304283,0.008709681,0.008709681,GGA,P1,A5B4C5D20E3_aP37_1_5a_4a_5a_20a_3a:B-Ca-H-O-Si,37.0,A5B4C5D20E3_aP37_1_5a_4a_5a_20a_3a:B-Ca-H-O-Si +mp-24392,Ca2Al2FeSi4BHO16,-7.9538116872,-3.1059308744,0.0024515336,0.0024515336,GGA+U,P-1,A2BC2DEF16G4_aP54_2_2i_i_2i_i_i_16i_4i:Al-B-Ca-Fe-H-O-Si,54.0,"Invalid WP multiplicities - A2BC2DEF16G4_aP54_2_3i_i_2i_i_i_20i_7i:Al-B-Ca-Fe-H-O-Si, expected Ca2Al3FeSi7BHO20 to be Ca2Al2FeSi4BHO16" +mp-554371,CaSiBHO5,-7.6264789028,-2.9335367603,0.0012780593,0.0012780593,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:B-Ca-H-O-Si,36.0,"Invalid WP multiplicities - ABCD5E_mP36_14_e_e_e_18e_e:B-Ca-H-O-Si, expected CaSiBHO18 to be CaSiBHO5" +mp-1201830,CaSiBHO5,-7.5035922344,-2.810650092,0.1241647277,0.1241647277,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:B-Ca-H-O-Si,36.0,ABCD5E_mP36_14_e_e_e_5e_e:B-Ca-H-O-Si +mp-1238309,CaSiBHO5,-7.4691378775,-2.776195735,0.1586190846,0.1586190846,GGA,P2_1/c,ABCD5E_mP36_14_e_e_e_5e_e:B-Ca-H-O-Si,36.0,ABCD5E_mP36_14_e_e_e_5e_e:B-Ca-H-O-Si +mp-1228294,Ca4Al5FeSi6(HO13)2,-7.7936894916,-3.1761538861,0.0148135959,0.0148135959,GGA+U,Pm,A5B4CD2E26F6_mP44_6_a2c_2a2b_b_ab_7a7b6c_3a3b:Al-Ca-Fe-H-O-Si,44.0,"Invalid WP multiplicities - A5B4CD2E26F6_mP44_6_a2c_2a2b_b_ab_7a7b9c_3a3b:Al-Ca-Fe-H-O-Si, expected Ca4Al5FeSi6(HO16)2 to be Ca4Al5FeSi6(HO13)2" +mp-696825,Ca2Al2FeSi3HO13,-7.8052167366,-3.0803073724,0.01113737,0.01113737,GGA+U,P2_1/m,A2B2CDE13F3_mP44_11_ac_2e_e_e_7e3f_3e:Al-Ca-Fe-H-O-Si,44.0,A2B2CDE13F3_mP44_11_ac_2e_e_e_7e3f_3e:Al-Ca-Fe-H-O-Si +mp-850516,Ca2SiB5H5O14,-7.3901120077,-2.6104546437,0.0017902041,0.0017902041,GGA,P2_1/c,A5B2C5D14E_mP108_14_5e_2e_5e_14e_e:B-Ca-H-O-Si,108.0,"Invalid WP multiplicities - A5B2C5D14E_mP108_14_17e_3e_13e_55e_e:B-Ca-H-O-Si, expected Ca3SiB17H13O55 to be Ca2SiB5H5O14" +mp-1188245,Nb2S4Cl9O5,-4.303319029,-0.3973848768,1.1671950723,1.1671950723,GGA,Immm,A9B2C5D4_oI40_71_aln_g_bl_m:Cl-Nb-O-S,20.0,A9B2C5D4_oI40_71_aln_g_bl_m:Cl-Nb-O-S +mp-1223113,Na2Nb2C8S4N3ClO19,-7.0505150359,-1.0487742404,0.6648373968,0.6648373968,GGA,P-1,A8BC3D2E2F19G4_aP78_2_8i_i_3i_2i_2i_19i_4i:C-Cl-N-Na-Nb-O-S,78.0,A8BC3D2E2F19G4_aP78_2_8i_i_3i_2i_2i_19i_4i:C-Cl-N-Na-Nb-O-S +mp-1247478,Na3NbN2,-5.5377915517,-0.4141464233,0.1879951377,0.1879951377,GGA,P2_1/c,A2B3C_mP24_14_2e_3e_e:N-Na-Nb,24.0,A2B3C_mP24_14_2e_3e_e:N-Na-Nb +mp-734271,NbS2NO9,-6.8934432294,-1.4141433756,0.4731974932,0.4731974932,GGA,Pnma,ABC9D2_oP52_62_c_c_5c2d_2c:N-Nb-O-S,52.0,ABC9D2_oP52_62_c_c_5c2d_2c:N-Nb-O-S +mp-28178,NaNbCl6,-4.6544844087,-1.8401031221,0.0,-0.0055109723,GGA,P2_1/c,A6BC_mP32_14_6e_e_e:Cl-Na-Nb,32.0,A6BC_mP32_14_6e_e_e:Cl-Na-Nb +mp-1198278,Nb3N2Cl7O5,-6.2069420647,-1.2275241149,0.7129519084,0.7129519084,GGA,C2/c,A7B2C3D5_mC68_15_e3f_f_ef_a2f:Cl-N-Nb-O,34.0,A7B2C3D5_mC68_15_e3f_f_ef_c2f:Cl-N-Nb-O +mp-1210540,Nb3N2Cl7O5,-6.5283397303,-1.5489217805000002,0.3915542428,0.3915542428,GGA,C2/c,A7B2C3D5_mC68_15_e3f_f_ef_a2f:Cl-N-Nb-O,34.0,A7B2C3D5_mC68_15_e3f_f_ef_c2f:Cl-N-Nb-O +mp-1030657,NaNbN2,-7.9274173873,-0.9032123415,0.0,-0.1400706898,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Na-Nb,64.0,A2BC_oP64_61_4c_2c_2c:N-Na-Nb +mp-7017,NaNbN2,-7.914036375,-0.8898313291000001,0.0133810123,-0.1266896775,GGA,R-3m,A2BC_hR12_166_c_a_b:N-Na-Nb,4.0,A2BC_hR12_166_c_a_b:N-Na-Nb +mp-1221107,Na8Ti3Fe(Si4O11)4,-7.8455318863,-3.0233639504,0.0245577297,0.0245577297,GGA+U,P4,AB8C44D16E3_tP72_75_a_2d_2a2b10d_4d_a2b:Fe-Na-O-Si-Ti,72.0,"Invalid WP multiplicities - AB8C44D16E3_tP72_75_a_7d_2a2b35d_14d_a2b:Fe-Na-O-Si-Ti, expected Na28Ti3Fe(Si7O18)8 to be Na8Ti3Fe(Si4O11)4" +mp-1212364,KNaTiSi3(HO5)2,-7.4131906361,-2.8100401056,0.0106500069,0.0106500069,GGA,P2_1/c,A2BCD10E3F_mP72_14_2e_e_e_10e_3e_e:H-K-Na-O-Si-Ti,72.0,A2BCD10E3F_mP72_14_2e_e_e_10e_3e_e:H-K-Na-O-Si-Ti +mp-557596,Na2TiFe5(Si3O10)2,-8.129911991,-2.7070787246,0.0,-0.0069985339,GGA+U,P-1,A5B2C20D6E_aP68_2_be4i_2i_20i_6i_i:Fe-Na-O-Si-Ti,68.0,"Invalid WP multiplicities - A5B2C20D6E_aP68_2_be8i_2i_37i_12i_i:Fe-Na-O-Si-Ti, expected Na2TiFe9Si12O37 to be Na2TiFe5(Si3O10)2" +mp-1212500,K2NaTi2Fe7Si8H4O31,-7.8136255507,-2.5600754751,0.0060208066,0.0060208066,GGA+U,P-1,A7B4C2DE31F8G2_aP55_2_b3i_2i_i_e_c15i_4i_i:Fe-H-K-Na-O-Si-Ti,55.0,A7B4C2DE31F8G2_aP55_2_b3i_2i_i_e_c15i_4i_i:Fe-H-K-Na-O-Si-Ti +mp-758597,K2TiSi3(HO5)2,-7.429392355,-2.8380266215,0.0,-0.0030098207,GGA,P2_12_12_1,A2B2C10D3E_oP72_19_2a_2a_10a_3a_a:H-K-O-Si-Ti,72.0,"Invalid WP multiplicities - A2B2C10D3E_oP72_19_5a_5a_37a_9a_a:H-K-O-Si-Ti, expected K5TiSi9H5O37 to be K2TiSi3(HO5)2" +mp-1195057,K3Ba3Li2Al4B6O20F,-7.4008434273,-3.072385106,0.0,-0.0009272508,GGA,P-62c,A4B6C3DE3F2G20_hP78_190_2f_i_h_a_g_e_f3i:Al-B-Ba-F-K-Li-O,78.0,A4B6C3DE3F2G20_hP78_190_2f_i_h_a_g_e_f3i:Al-B-Ba-F-K-Li-O +mp-561447,K3AlB8O15,-7.8661397803,-2.8767976504,0.0,-0.0082250689,GGA,P2_1/c,AB8C3D15_mP108_14_e_8e_3e_15e:Al-B-K-O,108.0,"Invalid WP multiplicities - AB8C3D15_mP108_14_e_26e_8e_56e:Al-B-K-O, expected K8Al(B13O28)2 to be K3AlB8O15" +mp-1223739,K2Al2B2O7,-7.4327781172,-2.9945047268,0.0005297305,-0.0362719841,GGA,C2,A2B2C2D7_mC78_5_3c_3c_ab2c_a10c:Al-B-K-O,39.0,"Invalid WP multiplicities - A2B2C2D7_mC78_5_3c_5c_ab2c_a16c:Al-B-K-O, expected K6Al6B10O33 to be K2Al2B2O7" +mp-560217,K2Al2B2O7,-7.4333078477,-2.9950344574,0.0,-0.0368017146,GGA,P321,A2B2C2D7_hP39_150_c2d_g_ef_ad3g:Al-B-K-O,39.0,"Invalid WP multiplicities - A2B2C2D7_hP39_150_2c2d_g_3e2f_a2d14g:Al-B-K-O, expected K15Al8B6O89 to be K2Al2B2O7" +mp-10510,BaAlBO3F2,-7.4192658956,-3.5433950694,0.0001493525,-0.0040121239,GGA,P6_3/m,ABCD2E3_hP16_176_c_d_b_f_h:Al-B-Ba-F-O,16.0,ABCD2E3_hP16_176_c_d_b_f_h:Al-B-Ba-F-O +mp-558491,BaAlBO3F2,-7.4194152481,-3.5435444219,0.0,-0.0041614764,GGA,P-62c,ABCD2E3_hP16_190_c_d_a_f_h:Al-B-Ba-F-O,16.0,ABCD2E3_hP16_190_c_d_a_f_h:Al-B-Ba-F-O +mp-1197321,K2AlB5O14,-6.8515710602,-1.9144358541,0.4618082025,0.4618082025,GGA,P2_1,AB5C2D14_mP44_4_a_5a_2a_14a:Al-B-K-O,44.0,AB5C2D14_mP44_4_a_5a_2a_14a:Al-B-K-O +mp-1224633,K2AlB5O14,-6.8054776998,-1.8683424936,0.507901563,0.507901563,GGA,C222_1,AB5C2D14_oC88_20_a_b2c_c_ab6c:Al-B-K-O,44.0,AB5C2D14_oC88_20_a_b2c_c_ab6c:Al-B-K-O +mp-697072,CuHIO4,-5.0454746568,-0.9380383839,0.0103334009,0.0103334009,GGA,Pnma,ABCD4_oP28_62_a_c_c_2cd:Cu-H-I-O,28.0,ABCD4_oP28_62_a_c_c_2cd:Cu-H-I-O +mp-1197759,CuAs2H6C2IO2,-5.061232149,-0.5185268271,0.128977727,0.128977727,GGA,C2/c,A2B2CD6EF2_mC224_15_4f_4f_2f_12f_2f_4f:As-C-Cu-H-I-O,112.0,A2B2CD6EF2_mC224_15_4f_4f_2f_12f_2f_4f:As-C-Cu-H-I-O +mp-756758,CuH4(IO4)2,-5.019353174,-1.006662958,0.0091040333,0.0091040333,GGA,P2_1/c,AB4C2D8_mP30_14_a_2e_e_4e:Cu-H-I-O,30.0,"Invalid WP multiplicities - AB4C2D8_mP30_14_a_3e_e_15e:Cu-H-I-O, expected CuH6(IO15)2 to be CuH4(IO4)2" +mp-1205250,CuH5IO7,-5.0813083862,-0.9982352274,0.0429715003,0.0429715003,GGA,P2_12_12_1,AB5CD7_oP56_19_a_5a_a_7a:Cu-H-I-O,56.0,AB5CD7_oP56_19_a_5a_a_7a:Cu-H-I-O +mp-707285,CuH16(IO8)2,-5.0800020811,-1.0663856391,0.0316780681,0.0316780681,GGA,P2_1/c,AB16C2D16_mP70_14_a_8e_e_8e:Cu-H-I-O,70.0,AB16C2D16_mP70_14_a_8e_e_8e:Cu-H-I-O +mp-605196,CsCu3As8H24C8(IO2)4,-5.0474487536,-0.5619542226,0.1367647838,0.1367647838,GGA,P-1,A8B8CD3E24F4G8_aP112_2_8i_8i_i_3i_24i_4i_8i:As-C-Cs-Cu-H-I-O,112.0,"Invalid WP multiplicities - A8B8CD3E24F4G8_aP112_2_15i_15i_i_4i_47i_7i_15i:As-C-Cs-Cu-H-I-O, expected CsCu4As15H47C15I7O15 to be CsCu3As8H24C8(IO2)4" +mp-1202945,K2NaCa2TiSi7O20,-7.764028353,-3.1470278864,0.0210794615,0.0210794615,GGA,P1,A2B2CD20E7F_aP66_1_4a_4a_2a_40a_14a_2a:Ca-K-Na-O-Si-Ti,66.0,A2B2CD20E7F_aP66_1_4a_4a_2a_40a_14a_2a:Ca-K-Na-O-Si-Ti +mp-728519,K2NaCa2TiSi7O20,-4.2527613326,0.3642391341,3.532346482,3.532346482,GGA,P1,A2B2CD20E7F_aP66_1_4a_4a_2a_40a_14a_2a:Ca-K-Na-O-Si-Ti,66.0,A2B2CD20E7F_aP66_1_4a_4a_2a_40a_14a_2a:Ca-K-Na-O-Si-Ti +mp-720410,K2NaCa2TiSi7HO20,-7.7204345879,-3.1394421925,0.0,-0.0018308949,GGA,P-1,A2BC2DE20F7G_aP68_2_2i_i_2i_i_20i_7i_i:Ca-H-K-Na-O-Si-Ti,68.0,A2BC2DE20F7G_aP68_2_2i_i_2i_i_20i_7i_i:Ca-H-K-Na-O-Si-Ti +mp-734213,K2NaCa2TiSi7HO20,-4.1907847378,0.3902076576,3.5296498501,3.5278189552,GGA,P-1,A2BC2DE20F7G_aP68_2_2i_i_2i_i_20i_7i_i:Ca-H-K-Na-O-Si-Ti,68.0,A2BC2DE20F7G_aP68_2_2i_i_2i_i_20i_7i_i:Ca-H-K-Na-O-Si-Ti +mp-705528,NaCaB5H8O13,-6.7987703263,-2.2211329822,0.0101920717,0.0101920717,GGA,P2_1/c,A5BC8DE13_mP112_14_5e_e_8e_e_13e:B-Ca-H-Na-O,112.0,A5BC8DE13_mP112_14_5e_e_8e_e_13e:B-Ca-H-Na-O +mp-1203101,NaB6H8S3O7,-5.5588085794,-0.9357343851,0.6013073129000001,0.6013073129000001,GGA,P-1,A6B8CD7E3_aP50_2_6i_8i_i_7i_3i:B-H-Na-O-S,50.0,A6B8CD7E3_aP50_2_6i_8i_i_7i_3i:B-H-Na-O-S +mp-690684,Na2BH4ClO4,-5.5753089954,-1.8644224919,0.0056365436,0.0056365436,GGA,P4/nmm,ABC4D2E4_tP24_129_a_c_i_e_i:B-Cl-H-Na-O,24.0,ABC4D2E4_tP24_129_a_c_i_e_i:B-Cl-H-Na-O +mp-722342,NaCa2B9(H2O5)4,-7.2530669951,-2.4649711557,0.0077832573,0.0077832573,GGA,P2_1/c,A9B2C8DE20_mP160_14_9e_2e_8e_e_20e:B-Ca-H-Na-O,160.0,A9B2C8DE20_mP160_14_9e_2e_8e_e_20e:B-Ca-H-Na-O +mp-707645,Na2Ca3B5H2S2ClO18,-7.1259713129,-2.6409381502,0.001693217,0.001693217,GGA,C2/c,A5B3CD2E2F18G2_mC132_15_e2f_ef_a_f_f_9f_f:B-Ca-Cl-H-Na-O-S,66.0,A5B3CD2E2F18G2_mC132_15_e2f_ef_c_f_f_9f_f:B-Ca-Cl-H-Na-O-S +mp-698191,NaCaB5H16O17,-6.071532192,-1.693971971,0.2525717728,0.2525717728,GGA,P-1,A5BC16DE17_aP80_2_5i_i_16i_i_17i:B-Ca-H-Na-O,80.0,A5BC16DE17_aP80_2_5i_i_16i_i_17i:B-Ca-H-Na-O +mp-707788,NaCaB5(H5O7)2,-6.645269904,-2.1321735674,0.0072865477,0.0072865477,GGA,P2_1/c,A5BC10DE14_mP124_14_5e_e_10e_e_14e:B-Ca-H-Na-O,124.0,A5BC10DE14_mP124_14_5e_e_10e_e_14e:B-Ca-H-Na-O +mp-1210880,NaCaB5(H7O4)3,-5.404752014,-1.2214371263,0.2443363599,0.2443363599,GGA,P-1,A5BC21DE12_aP80_2_5i_i_21i_i_12i:B-Ca-H-Na-O,80.0,A5BC21DE12_aP80_2_5i_i_21i_i_12i:B-Ca-H-Na-O +mp-30958,Ca(BS2)2,-5.7269258637,-1.1683283081,0.0426269946,0.0426269946,GGA,Pa-3,A2BC4_cP84_205_d_ac_2d:B-Ca-S,84.0,A2BC4_cP84_205_d_ac_2d:B-Ca-S +mp-1203519,KMnGa2P3(H2O7)2,-6.9009813556,-2.2852589579,0.0,-0.0038752069,GGA+U,C2/c,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-K-Mn-O-P,50.0,A2B4CDE14F3_mC100_15_f_2f_e_e_7f_ef:Ga-H-K-Mn-O-P +mp-1223701,KRbMn2Ga4P6(H2O7)4,-6.8990296656000005,-2.2859045654,0.0,-0.0040352738,GGA+U,C2,A4B8CD2E28F6G_mC100_5_2c_4c_a_ab_14c_ab2c_b:Ga-H-K-Mn-O-P-Rb,50.0,A4B8CD2E28F6G_mC100_5_2c_4c_a_ab_14c_ab2c_b:Ga-H-K-Mn-O-P-Rb +mp-753649,LiZrPCO7,-8.1846011659,-2.7550182137,0.0527685417,0.0527685417,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Li-O-P-Zr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Li-O-P-Zr, expected LiZrPCO13 to be LiZrPCO7" +mp-556861,LiY(PO3)4,-7.8909132539,-2.9248650016,0.0046906438,0.0046906438,GGA,C2/c,AB12C4D_mC72_15_e_6f_2f_e:Li-O-P-Y,36.0,"Invalid WP multiplicities - AB12C4D_mC72_15_e_23f_6f_e:Li-O-P-Y, expected LiY(P6O23)2 to be LiY(PO3)4" +mp-1180616,Na2ZrPCO10,-6.8320936937,-1.8119866051,0.4629761134,0.4629761134,GGA,C2/m,AB2C10DE_mC60_12_i_j_8ij_i_i:C-Na-O-P-Zr,30.0,AB2C10DE_mC60_12_i_j_8ij_i_i:C-Na-O-P-Zr +mp-1235558,LiY3(PO4)3,-8.2697655816,-3.1693177783,0.2108526327,0.2108526327,GGA,C2,AB12C3D3_mC38_5_a_6c_ac_bc:Li-O-P-Y,19.0,"Invalid WP multiplicities - AB12C3D3_mC38_5_a_12c_a2c_b2c:Li-O-P-Y, expected LiY5P5O24 to be LiY3(PO4)3" +mp-1235146,LiY3(PO4)3,-8.286268357400001,-3.1858205541,0.1943498569,0.1943498569,GGA,C222,AB12C3D3_oC38_21_a_3l_bk_ck:Li-O-P-Y,19.0,"Invalid WP multiplicities - AB12C3D3_oC38_21_a_11l_bk_ck:Li-O-P-Y, expected LiY3P3O44 to be LiY3(PO4)3" +mp-1202345,Na6Li2Y3Zr3P6(CO17)2,-7.9033483389,-2.9762041437,0.0146539645,0.0146539645,GGA,P1,A2B2C6D34E6F3G3_aP112_1_4a_4a_12a_68a_12a_6a_6a:C-Li-Na-O-P-Y-Zr,112.0,A2B2C6D34E6F3G3_aP112_1_4a_4a_12a_68a_12a_6a_6a:C-Li-Na-O-P-Y-Zr +mp-767462,Na2YPCO7,-7.6235295175,-2.7585036277,0.0272341852,0.0272341852,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Na-O-P-Y,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Na-O-P-Y, expected Na2YPCO13 to be Na2YPCO7" +mp-768152,NaZrPCO7,-8.1122368427,-2.7359627608,0.038997811,0.038997811,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-P-Zr,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-P-Zr, expected NaZrPCO13 to be NaZrPCO7" +mp-1177138,Li4Y3ZrO8,-7.818232115,-3.1209624196,0.0886248084,0.0886248084,GGA,C222,A4B8C3D_oC32_21_ack_efl_bk_d:Li-O-Y-Zr,16.0,"Invalid WP multiplicities - A4B8C3D_oC32_21_ac2k_ef2l_b2k_d:Li-O-Y-Zr, expected Li6Y5ZrO12 to be Li4Y3ZrO8" +mp-755289,Li3Y3ZrO8,-8.257736856,-3.374577372,0.0442694545,0.0442694545,GGA,C222,A3B8C3D_oC30_21_bk_efl_ak_c:Li-O-Y-Zr,15.0,"Invalid WP multiplicities - A3B8C3D_oC30_21_b2k_ef2l_a2k_c:Li-O-Y-Zr, expected Li5Y5ZrO12 to be Li3Y3ZrO8" +mp-768220,Li2YPCO7,-7.7348212771,-2.7720624584,0.0950036604,0.0950036604,GGA,P2_1/m,AB2C7DE_mP24_11_e_f_5ef_e_e:C-Li-O-P-Y,24.0,"Invalid WP multiplicities - AB2C7DE_mP24_11_e_f_9e2f_e_e:C-Li-O-P-Y, expected Li2YPCO13 to be Li2YPCO7" +mp-653758,Ru2S4Cl13,-3.8067831051,-0.6949104142,0.0668335444,0.0668335444,GGA,P2_1/c,A13B2C4_mP152_14_26e_4e_8e:Cl-Ru-S,152.0,"Invalid WP multiplicities - A13B2C4_mP152_14_102e_16e_29e:Cl-Ru-S, expected Ru16S29Cl102 to be Ru2S4Cl13" +mp-759409,H18RuC6(SCl)3,-4.9889116471,-0.3543818443,0.057067146,0.057067146,GGA,Pna2_1,A6B3C18DE3_oP124_33_6a_3a_18a_a_3a:C-Cl-H-Ru-S,124.0,A6B3C18DE3_oP124_33_6a_3a_18a_a_3a:C-Cl-H-Ru-S +mp-605665,H24RuC8(S2Cl)2,-5.0349478429,-0.2972036288,0.0562588522,0.0562588522,GGA,Pbca,A8B2C24DE4_oP156_61_4c_c_12c_a_2c:C-Cl-H-Ru-S,156.0,"Invalid WP multiplicities - A8B2C24DE4_oP156_61_26c_c_91c_a_8c:C-Cl-H-Ru-S, expected H182RuC52(S8Cl)2 to be H24RuC8(S2Cl)2" +mp-624474,Ru(SCl3)4,-3.4771176224,-0.6534328031000001,0.0442199386,0.0442199386,GGA,P2_1/c,A12BC4_mP68_14_12e_e_4e:Cl-Ru-S,68.0,"Invalid WP multiplicities - A12BC4_mP68_14_46e_e_10e:Cl-Ru-S, expected Ru(S5Cl23)2 to be Ru(SCl3)4" +mp-758573,H16Ru3C6(Cl3O7)2,-5.9885384031,-1.1480121984,0.0685077822,0.0685077822,GGA,P-1,A6B6C16D14E3_aP45_2_3i_3i_8i_7i_ai:C-Cl-H-O-Ru,45.0,A6B6C16D14E3_aP45_2_3i_3i_8i_7i_ai:C-Cl-H-O-Ru +mp-29568,RuS3Cl8,-3.7617259908,-0.7223888724,0.0,-0.0003720565,GGA,P-1,A8BC3_aP24_2_8i_i_3i:Cl-Ru-S,24.0,"Invalid WP multiplicities - A8BC3_aP24_2_10i_i_4i:Cl-Ru-S, expected Ru(S2Cl5)2 to be RuS3Cl8" +mp-707771,H3Ru3C10ClO9,-7.5991706115,-0.8046792369,0.2347738477,0.2347738477,GGA,Pnma,A10BC3D9E3_oP104_62_2c4d_c_cd_c4d_cd:C-Cl-H-O-Ru,104.0,A10BC3D9E3_oP104_62_2c4d_c_cd_c4d_cd:C-Cl-H-O-Ru +mp-1202543,NaH12RuC4S2(Cl2O)2,-4.9867805825,-0.6104449617000001,0.2176358971,0.2176358971,GGA,P2_1/c,A4B4C12DE2FG2_mP104_14_4e_4e_12e_e_2e_ad_2e:C-Cl-H-Na-O-Ru-S,104.0,A4B4C12DE2FG2_mP104_14_4e_4e_12e_e_2e_ab_2e:C-Cl-H-Na-O-Ru-S +mp-758659,H2RuC3(ClO2)2,-6.7575862779,-1.1551130052,0.0526407868,0.0526407868,GGA,P2_1/c,A3B2C2D4E_mP48_14_3e_2e_2e_4e_e:C-Cl-H-O-Ru,48.0,"Invalid WP multiplicities - A3B2C2D4E_mP48_14_9e_5e_7e_13e_e:C-Cl-H-O-Ru, expected H7RuC9Cl5O13 to be H2RuC3(ClO2)2" +mp-1179746,Ru2C10S5Cl4O5,-5.7896077409,0.5044422413,1.3596468809,1.3596468809,GGA,P2_1/c,A10B4C5D2E5_mP104_14_10e_4e_5e_2e_5e:C-Cl-O-Ru-S,104.0,A10B4C5D2E5_mP104_14_10e_4e_5e_2e_5e:C-Cl-O-Ru-S +mp-1200316,Sn4HgB44H124C24(N4Cl)2,-5.1144404096,-0.1733281399,0.1712448512,0.1712448512,GGA,I-42m,A44B24C2D124EF8G4_tI414_121_3i4j_3j_d_3i14j_a_j_i:B-C-Cl-H-Hg-N-Sn,207.0,A44B24C2D124EF8G4_tI414_121_3i4j_3j_d_3i14j_a_j_i:B-C-Cl-H-Hg-N-Sn +mp-567699,HgB2(CN)8,-7.9037748163,0.2111592493,0.5188182029,0.5188182029,GGA,P-3m1,A2B8CD8_hP19_164_d_di_a_di:B-C-Hg-N,19.0,"Invalid WP multiplicities - A2B8CD8_hP19_164_d_2d3i_a_d2i:B-C-Hg-N, expected HgB2(C11N7)2 to be HgB2(CN)8" +mp-631530,Hg2BCl,-1.4606466125,0.8231756777,1.301050706,1.301050706,GGA,F-43m,ABC2_cF16_216_a_c_bd:B-Cl-Hg,4.0,ABC2_cF16_216_a_c_bd:B-Cl-Hg +mp-669526,HgB(CN)4,-7.5306912085,0.1936801721,0.485956178,0.485956178,GGA,Pbcm,AB4CD4_oP80_57_2d_4d2e_2d_4d2e:B-C-Hg-N,80.0,"Invalid WP multiplicities - AB4CD4_oP80_57_6d_14d11e_6d_16d15e:B-C-Hg-N, expected Hg3B3C18N23 to be HgB(CN)4" +mp-620569,K2Zn(CN)4,-6.9619707839,-0.258226859,0.113814192,0.113814192,GGA,R-3c,A4B2C4D_hR132_167_cf_be_cf_c:C-K-N-Zn,44.0,"Invalid WP multiplicities - A4B2C4D_hR132_167_4c5f_2b3e_3c4f_c:C-K-N-Zn, expected K11Zn2(C19N15)2 to be K2Zn(CN)4" +mp-6424,K2Zn(CN)4,-6.9742303709,-0.270486446,0.101554605,0.101554605,GGA,Fd-3m,A4B2C4D_cF88_227_e_c_e_b:C-K-N-Zn,22.0,A4B2C4D_cF88_227_e_c_e_b:C-K-N-Zn +mp-505659,Rb2NaMn(CN)6,-7.6081387172,-0.243353015,0.1429222766,0.1429222766,GGA,P2_1/c,A6BC6DE2_mP32_14_3e_a_3e_d_e:C-Mn-N-Na-Rb,32.0,A6BC6DE2_mP32_14_3e_a_3e_b_e:C-Mn-N-Na-Rb +mp-1196770,Rb4Na2Mn2H12C10N11O6,-6.4878717012,-0.545910821,0.260454936,0.260454936,GGA+U,Cmce,A10B12C2D11E2F6G4_oC188_64_f2g_3g_f_af2g_c_eg_df:C-H-Mn-N-Na-O-Rb,94.0,A10B12C2D11E2F6G4_oC188_64_f2g_3g_f_af2g_c_eg_df:C-H-Mn-N-Na-O-Rb +mp-643446,Ca2AlH8S2Cl(O6F)2,-6.0388263032,-2.1744247742,0.0009580137,0.0009580137,GGA,I4/m,AB2CD2E8F12G2_tI56_87_a_e_b_e_i_hi_d:Al-Ca-Cl-F-H-O-S,28.0,AB2CD2E8F12G2_tI56_87_a_e_b_e_i_hi_d:Al-Ca-Cl-F-H-O-S +mp-1198254,Ca3Al2S(OF)8,-6.0401885984,-2.7442912076,0.3478842566,0.3478842566,GGA,C2/c,A2B3C8D8E_mC88_15_f_ef_4f_4f_e:Al-Ca-F-O-S,44.0,A2B3C8D8E_mC88_15_f_ef_4f_4f_e:Al-Ca-F-O-S +mp-1194752,CaAl6H12(SO7)4,-6.5591891302,-2.2406626443,0.0,-0.0086925363,GGA,R-3m,A6BC12D28E4_hR153_166_h_a_2h_2c4h_2c:Al-Ca-H-O-S,51.0,A6BC12D28E4_hR153_166_h_a_2h_2c4h_2c:Al-Ca-H-O-S +mp-23872,Ca3Al2H6S(OF)8,-6.1536896204,-2.8370432323,0.0004153808,0.0004153808,GGA,C2/c,A2B3C8D6E8F_mC112_15_f_ef_4f_3f_4f_e:Al-Ca-F-H-O-S,56.0,"Invalid WP multiplicities - A2B3C8D6E8F_mC112_15_f_ef_6f_3f_7f_e:Al-Ca-F-H-O-S, expected Ca3Al2H6S(O7F6)2 to be Ca3Al2H6S(OF)8" +mp-730446,AlH10SO9F,-5.739556461,-1.7286035739,0.0,-0.006671131,GGA,Pbca,ABC10D9E_oP176_61_ab_c_10c_9c_c:Al-F-H-O-S,176.0,ABC10D9E_oP176_61_ab_c_10c_9c_c:Al-F-H-O-S +mp-558893,SbCSF11,-4.9505154864000005,-2.1990593977,0.0835143491,0.0835143491,GGA,C2/c,AB11CD_mC112_15_f_11f_f_f:C-F-S-Sb,56.0,"Invalid WP multiplicities - AB11CD_mC112_15_f_39f_f_f:C-F-S-Sb, expected SbCSF39 to be SbCSF11" +mp-1219560,SbC6S2F19,-5.4991274391000005,-1.7815562137,0.1954860469,0.1954860469,GGA,Cc,A6B19C2D_mC112_9_6a_19a_2a_a:C-F-S-Sb,56.0,"Invalid WP multiplicities - A6B19C2D_mC112_9_9a_28a_3a_a:C-F-S-Sb, expected SbC9S3F28 to be SbC6S2F19" +mp-19466,FeSb2C6(OF2)6,-6.3958895365,-1.7767081838,0.303822327,0.303822327,GGA+U,P4/mnc,A6B12CD6E2_tP54_128_eh_gi_a_eh_d:C-F-Fe-O-Sb,54.0,"Invalid WP multiplicities - A6B12CD6E2_tP54_128_e2h_4g3i_a_e2h_d:C-F-Fe-O-Sb, expected FeSb2C10(OF4)10 to be FeSb2C6(OF2)6" +mp-19590,FeSb4C6(O3F11)2,-5.9347210176,-2.0349597694,0.236567254,0.236567254,GGA+U,P2_1/c,A6B22CD6E4_mP78_14_3e_11e_a_3e_2e:C-F-Fe-O-Sb,78.0,"Invalid WP multiplicities - A6B22CD6E4_mP78_14_5e_16e_a_4e_2e:C-F-Fe-O-Sb, expected FeSb4C10(OF4)8 to be FeSb4C6(O3F11)2" +mp-1111107,K2LiTiF6,-5.692630284,-3.3432216258,0.003204362,0.003204362,GGA,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ti,10.0,A6B2CD_cF40_225_e_c_a_b:F-K-Li-Ti +mp-641919,KLi3Ca7Ti2Si12(O18F)2,-7.8599568732,-3.3571803868,0.0,-0.0073445576,GGA,C2/c,A7B2CD3E36F12G2_mC252_15_a3f_f_e_ef_18f_6f_f:Ca-F-K-Li-O-Si-Ti,126.0,"Invalid WP multiplicities - A7B2CD3E36F12G2_mC252_15_2a8f_f_e_2e2f_68f_22f_f:Ca-F-K-Li-O-Si-Ti, expected KLi6Ca18Ti2Si44(O68F)2 to be KLi3Ca7Ti2Si12(O18F)2" +mp-1197175,KLi3Ca7Ti2(Si6O19)2,-7.8370070914,-3.2378747402,0.0290595514,0.0290595514,GGA,C2/c,A7BC3D38E12F2_mC252_15_a3f_e_ef_19f_6f_f:Ca-K-Li-O-Si-Ti,126.0,"Invalid WP multiplicities - A7BC3D38E12F2_mC252_15_c6f_e_ef_37f_12f_f:Ca-K-Li-O-Si-Ti, expected KLi3Ca13Ti2(Si12O37)2 to be KLi3Ca7Ti2(Si6O19)2" +mp-1223658,KAl3Fe2Si2(HO6)2,-7.5609361382,-2.7298669772,0.0,-0.0200180672,GGA+U,P1,A3B2C2DE12F2_aP22_1_3a_2a_2a_a_12a_2a:Al-Fe-H-K-O-Si,22.0,A3B2C2DE12F2_aP22_1_3a_2a_2a_a_12a_2a:Al-Fe-H-K-O-Si +mp-1224578,K2MgFe(SiO3)8,-7.2396481158,-2.3948099918,0.2754859844,0.2754859844,GGA+U,P1,AB2CD24E8_aP36_1_a_2a_a_24a_8a:Fe-K-Mg-O-Si,36.0,AB2CD24E8_aP36_1_a_2a_a_24a_8a:Fe-K-Mg-O-Si +mp-1223700,MgAl8Fe3Si8(H2O5)8,-7.1877411597,-2.5492061633,0.01315033,0.01315033,GGA+U,C2,A8B3C16DE40F8_mC152_5_2a2b2c_a2b_8c_a_20c_4c:Al-Fe-H-Mg-O-Si,76.0,"Invalid WP multiplicities - A8B3C16DE40F8_mC152_5_2a2b3c_a2b_16c_a_40c_8c:Al-Fe-H-Mg-O-Si, expected MgAl10Fe3Si16(H2O5)16 to be MgAl8Fe3Si8(H2O5)8" +mp-1223578,KMg2AlFe(SiO4)3,-7.5336809298,-2.9255421941,0.0294069465,0.0294069465,GGA+U,P1,ABCD2E12F3_aP20_1_a_a_a_2a_12a_3a:Al-Fe-K-Mg-O-Si,80.0,ABCD2E12F3_aP20_1_a_a_a_2a_12a_3a:Al-Fe-K-Mg-O-Si +mp-685130,K2Al4Fe5Si5(HO6)4,-7.1789238455,-2.2023049667,0.4198622047,0.4198622047,GGA+U,P1,A4B5C4D2E24F5_aP44_1_4a_5a_4a_2a_24a_5a:Al-Fe-H-K-O-Si,44.0,A4B5C4D2E24F5_aP44_1_4a_5a_4a_2a_24a_5a:Al-Fe-H-K-O-Si +mp-1223564,KMg3AlSi3(HO6)2,-7.1478759986,-2.9624902876,0.0,-0.0046327829,GGA,P1,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Al-H-K-Mg-O-Si,22.0,AB2CD3E12F3_aP22_1_a_2a_a_3a_12a_3a:Al-H-K-Mg-O-Si +mp-743959,Mg21FeSi12(HO16)3,-7.0711161891,-2.8970108374,0.1839677345,0.1839677345,GGA+U,P1,AB3C21D48E12_aP85_1_a_3a_21a_48a_12a:Fe-H-Mg-O-Si,85.0,AB3C21D48E12_aP85_1_a_3a_21a_48a_12a:Fe-H-Mg-O-Si +mp-695496,Mg21FeSi12(HO16)3,-7.0527392999,-2.8786339482,0.2023446237,0.2023446237,GGA+U,P1,AB3C21D48E12_aP85_1_a_3a_21a_48a_12a:Fe-H-Mg-O-Si,85.0,AB3C21D48E12_aP85_1_a_3a_21a_48a_12a:Fe-H-Mg-O-Si +mp-1212100,KAl4Fe3(HO6)2,-7.2867670777,-2.3936542358,0.073807144,0.073807144,GGA+U,C2/m,A4B3C2DE12_mC44_12_j_ag_i_d_2i2j:Al-Fe-H-K-O,22.0,A4B3C2DE12_mC44_12_j_ag_i_c_2i2j:Al-Fe-H-K-O +mp-1223617,KMg2AlFeSi3(HO6)2,-7.3102127144,-2.8125660416,0.0005832721,0.0005832721,GGA+U,P1,ABC2DE2F12G3_aP22_1_a_a_2a_a_2a_12a_3a:Al-Fe-H-K-Mg-O-Si,88.0,ABC2DE2F12G3_aP22_1_a_a_2a_a_2a_12a_3a:Al-Fe-H-K-Mg-O-Si +mp-1183871,CoBP2HPbO9,-7.4052739413,-2.3226148683,0.0296012772,0.0296012772,GGA+U,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-Co-H-O-P-Pb,30.0,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-Co-H-O-P-Pb +mp-1193243,CoBP2HPbO9,-7.4054294373,-2.3227703643,0.0294457812,0.0294457812,GGA+U,P-1,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-Co-H-O-P-Pb,30.0,ABCD9E2F_aP30_2_i_i_i_9i_2i_i:B-Co-H-O-P-Pb +mp-23578,Co3B7ClO13,-8.0136734915,-2.4204990878,0.0687844597,0.0687844597,GGA+U,R3c,A7BC3D13_hR144_161_a2b_a_b_a4b:B-Cl-Co-O,48.0,"Invalid WP multiplicities - A7BC3D13_hR144_161_a3b_a_b_a10b:B-Cl-Co-O, expected Co3B10ClO31 to be Co3B7ClO13" +mp-1201187,Co2P2H4PbO10,-6.73757957,-1.9063333086,0.0179120796,0.0179120796,GGA+U,P2_1/m,A2B4C10D2E_mP38_11_ac_4e_6e2f_2e_e:Co-H-O-P-Pb,38.0,A2B4C10D2E_mP38_11_ac_4e_6e2f_2e_e:Co-H-O-P-Pb +mp-562742,Co3P4PbO14,-7.5794855382,-2.3092831546,0.0,-0.005294389,GGA+U,P2_1/c,A3B14C4D_mP44_14_ae_7e_2e_b:Co-O-P-Pb,44.0,"Invalid WP multiplicities - A3B14C4D_mP44_14_ae_23e_6e_b:Co-O-P-Pb, expected Co3P12PbO46 to be Co3P4PbO14" +mp-728709,CoPH4ClO3,-5.5461067865,-1.267994059,0.1170885126,0.1170885126,GGA+U,Pbca,ABC4D3E_oP80_61_c_c_4c_3c_c:Cl-Co-H-O-P,80.0,ABC4D3E_oP80_61_c_c_4c_3c_c:Cl-Co-H-O-P +mp-505235,CoP2PbO7,-7.4695219807,-2.3536682664,0.0,-0.0079818689,GGA+U,P2_1/c,AB7C2D_mP44_14_e_7e_2e_e:Co-O-P-Pb,44.0,AB7C2D_mP44_14_e_7e_2e_e:Co-O-P-Pb +mp-1199458,Co2BP4H2Pb4ClO18,-7.0502670414,-2.2041979408,0.0349696522,0.0349696522,GGA+U,R-3c,ABC2D2E18F4G4_hR576_167_e_bc_f_f_9f_2f_3cf:B-Cl-Co-H-O-P-Pb,192.0,ABC2D2E18F4G4_hR576_167_e_bc_f_f_9f_2f_3cf:B-Cl-Co-H-O-P-Pb +mp-622183,Co2PClO4,-7.1243641591,-1.9662104589,0.0,-0.0247563438,GGA+U,C2/c,AB2C4D_mC64_15_f_aef_4f_f:Cl-Co-O-P,32.0,"Invalid WP multiplicities - AB2C4D_mC64_15_f_2a2e2f_12f_f:Cl-Co-O-P, expected Co4PClO12 to be Co2PClO4" +mp-1200530,ZnH4C2(N2Cl)2,-5.9916056502,-0.5815262813000001,0.0344386485,0.0344386485,GGA,Pca2_1,A2B2C4D4E_oP52_29_2a_2a_4a_4a_a:C-Cl-H-N-Zn,52.0,A2B2C4D4E_oP52_29_2a_2a_4a_4a_a:C-Cl-H-N-Zn +mp-698419,ZnH6C2(NCl2)2,-4.329439639,-0.0534018153,0.7538670607,0.7538670607,GGA,P2_1/c,A2B4C6D2E_mP60_14_2e_4e_6e_2e_e:C-Cl-H-N-Zn,60.0,A2B4C6D2E_mP60_14_2e_4e_6e_2e_e:C-Cl-H-N-Zn +mp-707960,ZnH12C2(N3Cl2)2,-5.4140161272,-0.7002999942,0.0,-0.0081940985,GGA,P-1,A2B4C12D6E_aP50_2_2i_4i_12i_6i_i:C-Cl-H-N-Zn,50.0,A2B4C12D6E_aP50_2_2i_4i_12i_6i_i:C-Cl-H-N-Zn +mp-603910,ZnH14C2(N2Cl)4,-5.454608824,-0.5821486424,0.0615320287,0.0615320287,GGA,P2_1/c,A2B4C14D8E_mP116_14_2e_4e_14e_8e_e:C-Cl-H-N-Zn,116.0,"Invalid WP multiplicities - A2B4C14D8E_mP116_14_4e_11e_55e_31e_e:C-Cl-H-N-Zn, expected ZnH55C4N31Cl11 to be ZnH14C2(N2Cl)4" +mp-1200128,ZnH12C4N5Cl3,-5.5664136578,-0.5218055488000001,0.0697676141,0.0697676141,GGA,P2_1/c,A4B3C12D5E_mP100_14_4e_3e_12e_5e_e:C-Cl-H-N-Zn,100.0,A4B3C12D5E_mP100_14_4e_3e_12e_5e_e:C-Cl-H-N-Zn +mp-600171,ZnH8C4(N4Cl)2,-6.342575641,-0.4423475253,0.0508867706,0.0508867706,GGA,P2_1/c,A4B2C8D8E_mP92_14_4e_2e_8e_8e_e:C-Cl-H-N-Zn,92.0,"Invalid WP multiplicities - A4B2C8D8E_mP92_14_11e_4e_31e_27e_e:C-Cl-H-N-Zn, expected ZnH31C11N27Cl4 to be ZnH8C4(N4Cl)2" +mp-707071,ZnH10C4N6(ClO2)2,-6.2592888376,-0.8665309211000001,0.0135131907,0.0135131907,GGA,P2_1/c,A4B2C10D6E4F_mP54_14_2e_e_5e_3e_2e_a:C-Cl-H-N-O-Zn,54.0,A4B2C10D6E4F_mP54_14_2e_e_5e_3e_2e_a:C-Cl-H-N-O-Zn +mp-1198181,ZnH14C2N10(ClO3)2,-5.9008329907,-0.6449074461000001,0.234514194,0.234514194,GGA,P2_1/c,A2B2C14D10E6F_mP70_14_e_e_7e_5e_3e_a:C-Cl-H-N-O-Zn,70.0,A2B2C14D10E6F_mP70_14_e_e_7e_5e_3e_a:C-Cl-H-N-O-Zn +mp-24664,ZnH8C2N4(ClO)2,-5.7958468026,-0.8592513607000001,0.0,-0.0010487221,GGA,P-1,A2B2C8D4E2F_aP38_2_2i_2i_8i_4i_2i_i:C-Cl-H-N-O-Zn,38.0,"Invalid WP multiplicities - A2B2C8D4E2F_aP38_2_3i_3i_11i_4i_3i_i:C-Cl-H-N-O-Zn, expected ZnH11C3N4(ClO)3 to be ZnH8C2N4(ClO)2" +mp-1200184,ZnH14C2N10(ClO7)2,-5.7459129443,-0.5475198338,0.5089511109,0.5089511109,GGA,P2_1/c,A2B2C14D10E14F_mP86_14_e_e_7e_5e_7e_a:C-Cl-H-N-O-Zn,86.0,A2B2C14D10E14F_mP86_14_e_e_7e_5e_7e_a:C-Cl-H-N-O-Zn +mp-728213,ZnCrH28C6N12Cl5O8,-5.9547371861,-0.8705528356000001,0.0312746361,0.0312746361,GGA+U,P-1,A6B5CD28E12F8G_aP122_2_6i_5i_i_28i_12i_8i_i:C-Cl-Cr-H-N-O-Zn,122.0,A6B5CD28E12F8G_aP122_2_6i_5i_i_28i_12i_8i_i:C-Cl-Cr-H-N-O-Zn +mp-1193600,ZnC2N6(ClO)2,-6.8436627638,-0.4339323879,0.3338930863,0.3338930863,GGA,P2_1/c,A2B2C6D2E_mP26_14_e_e_3e_e_a:C-Cl-N-O-Zn,26.0,A2B2C6D2E_mP26_14_e_e_3e_e_a:C-Cl-N-O-Zn +mp-1214013,CrH6CN3ClO3,-6.2342798243,-0.8385360376000001,0.2443377029,0.2443377029,GGA+U,Pnma,ABCD6E3F3_oP60_62_c_c_c_3d_cd_cd:C-Cl-Cr-H-N-O,60.0,ABCD6E3F3_oP60_62_c_c_c_3d_cd_cd:C-Cl-Cr-H-N-O +mp-1204712,CrC6N12(ClO3)3,-6.7918812313,0.1477570883,1.1244152151,1.1244152151,GGA+U,R-3,A6B3CD12E9_hR186_148_2f_f_ab_4f_3f:C-Cl-Cr-N-O,62.0,A6B3CD12E9_hR186_148_2f_f_ab_4f_3f:C-Cl-Cr-N-O +mp-753451,LiFe2P2HO8,-7.4763976414,-2.2876972104,0.0265202195,0.0265202195,GGA+U,P-1,A2BCD8E2_aP28_2_2i_i_i_8i_2i:Fe-H-Li-O-P,28.0,"Invalid WP multiplicities - A2BCD8E2_aP28_2_4i_i_i_8i_2i:Fe-H-Li-O-P, expected LiFe4P2HO8 to be LiFe2P2HO8" +mp-756333,LiFe2P2HO8,-7.4675374889,-2.2788370579,0.035380372,0.035380372,GGA+U,P2_1,A2BCD8E2_mP28_4_2a_a_a_8a_2a:Fe-H-Li-O-P,28.0,"Invalid WP multiplicities - A2BCD8E2_mP28_4_4a_a_a_8a_2a:Fe-H-Li-O-P, expected LiFe4P2HO8 to be LiFe2P2HO8" +mp-850747,LiFe2P2HO8,-7.4379414602,-2.2492410291,0.0649764007,0.0649764007,GGA+U,P2/c,A2BCD8E2_mP56_13_2g_g_ef_8g_2g:Fe-H-Li-O-P,56.0,"Invalid WP multiplicities - A2BCD8E2_mP56_13_3g_g_ef_29g_3g:Fe-H-Li-O-P, expected LiFe3P3HO29 to be LiFe2P2HO8" +mp-780175,Li4Fe3P4(HO8)2,-7.2080663924,-2.3587065099,0.0437023879,0.0437023879,GGA+U,P2_1/c,A3B2C4D16E4_mP58_14_ae_e_2e_8e_2e:Fe-H-Li-O-P,58.0,"Invalid WP multiplicities - A3B2C4D16E4_mP58_14_2a2e_e_7e_29e_3e:Fe-H-Li-O-P, expected Li7Fe3P3HO29 to be Li4Fe3P4(HO8)2" +mp-759083,Li3VFeP2(HO5)2,-7.0210408453,-2.2652703139,0.1388570286,0.1388570286,GGA+U,P1,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Fe-H-Li-O-P-V,19.0,AB2C3D10E2F_aP19_1_a_2a_3a_10a_2a_a:Fe-H-Li-O-P-V +mp-758760,LiFeP2HO8,-7.1498503931,-2.2135592527,0.0725701548,0.0725701548,GGA+U,P2_1,ABCD8E2_mP26_4_a_a_a_8a_2a:Fe-H-Li-O-P,26.0,"Invalid WP multiplicities - ABCD8E2_mP26_4_a_a_a_16a_2a:Fe-H-Li-O-P, expected LiFeP2HO16 to be LiFeP2HO8" +mp-850955,LiFeP3(H7O8)2,-6.1470188379,-1.768046392,0.0372964079,0.0372964079,GGA+U,P1,AB14CD16E3_aP70_1_2a_28a_2a_32a_6a:Fe-H-Li-O-P,70.0,AB14CD16E3_aP70_1_2a_28a_2a_32a_6a:Fe-H-Li-O-P +mp-705884,LiFePHO5,-7.1186160153,-2.2387919948,0.0020354592,-0.0069761449,GGA+U,P1,ABCD5E_aP36_1_4a_4a_4a_20a_4a:Fe-H-Li-O-P,36.0,ABCD5E_aP36_1_4a_4a_4a_20a_4a:Fe-H-Li-O-P +mp-756507,LiFePHO5,-7.1206514744,-2.2408274539,0.0,-0.0090116041,GGA+U,P-1,ABCD5E_aP18_2_ab_i_i_5i_i:Fe-H-Li-O-P,18.0,"Invalid WP multiplicities - ABCD5E_aP18_2_ab_i_i_9i_i:Fe-H-Li-O-P, expected LiFePHO9 to be LiFePHO5" +mp-766101,Li2FeP2HO8,-7.1431551848,-2.4231046354,0.0,-0.0029005729,GGA+U,P2_1,ABC2D8E2_mP28_4_a_a_2a_8a_2a:Fe-H-Li-O-P,56.0,ABC2D8E2_mP28_4_a_a_2a_8a_2a:Fe-H-Li-O-P +mp-684770,Li2FeP2HO8,-6.9627244446,-2.2426738952,0.1804307402,0.1775301673,GGA+U,Pc,ABC2D8E2_mP28_7_a_a_2a_8a_2a:Fe-H-Li-O-P,28.0,"Invalid WP multiplicities - ABC2D8E2_mP28_7_a_a_4a_16a_4a:Fe-H-Li-O-P, expected Li4FeP4HO16 to be Li2FeP2HO8" +mp-1638522,LiFePH2O5,-6.7628067185,-2.0316924955,0.0895769402,0.0895769402,GGA+U,P2_1,AB2CD5E_mP20_4_a_2a_a_5a_a:Fe-H-Li-O-P,20.0,AB2CD5E_mP20_4_a_2a_a_5a_a:Fe-H-Li-O-P +mp-1651026,LiFePH2O5,-6.811507247,-2.080393024,0.0408764117,0.0408764117,GGA+U,P2_1,AB2CD5E_mP20_4_a_2a_a_5a_a:Fe-H-Li-O-P,20.0,AB2CD5E_mP20_4_a_2a_a_5a_a:Fe-H-Li-O-P +mp-780200,LiFePH2O5,-6.7765525225,-2.0454382995,0.0758311362,0.0758311362,GGA+U,P2_1/c,AB2CD5E_mP40_14_e_2e_e_5e_e:Fe-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_mP40_14_e_7e_e_9e_e:Fe-H-Li-O-P, expected LiFePH7O9 to be LiFePH2O5" +mp-780206,LiFePH2O5,-6.824306991,-2.093192768,0.0280766677,0.0280766677,GGA+U,Pca2_1,AB2CD5E_oP80_29_2a_4a_2a_10a_2a:Fe-H-Li-O-P,80.0,AB2CD5E_oP80_29_4a_8a_4a_20a_4a:Fe-H-Li-O-P +mp-780431,LiFePH2O5,-6.8170976946,-2.0859834717,0.0352859641,0.0352859641,GGA+U,Pca2_1,AB2CD5E_oP80_29_2a_4a_2a_10a_2a:Fe-H-Li-O-P,80.0,AB2CD5E_oP80_29_4a_8a_4a_20a_4a:Fe-H-Li-O-P +mp-756078,LiFePH2O5,-6.7538535395,-2.0227393165,0.0985301192,0.0985301192,GGA+U,Pmn2_1,AB2CD5E_oP20_31_a_b_a_3ab_a:Fe-H-Li-O-P,20.0,"Invalid WP multiplicities - AB2CD5E_oP20_31_a_b_a_6a2b_a:Fe-H-Li-O-P, expected LiFeP(HO5)2 to be LiFePH2O5" +mp-780629,LiFePH2O5,-6.8203939685,-2.0892797455,0.0319896902,0.0319896902,GGA+U,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Fe-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Fe-H-Li-O-P, expected LiFePH5O17 to be LiFePH2O5" +mp-831073,LiFePH2O5,-6.8241862232,-2.0930720003,0.0281974355,0.0281974355,GGA+U,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Fe-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Fe-H-Li-O-P, expected LiFePH5O17 to be LiFePH2O5" +mp-780423,LiFePH2O5,-6.7832334455000005,-2.0521192225,0.0691502132,0.0691502132,GGA+U,Pna2_1,AB2CD5E_oP40_33_a_2a_a_5a_a:Fe-H-Li-O-P,40.0,"Invalid WP multiplicities - AB2CD5E_oP40_33_a_5a_a_17a_a:Fe-H-Li-O-P, expected LiFePH5O17 to be LiFePH2O5" +mp-756776,Li2FePHO5,-6.8333606935,-2.2506267884,0.0598769656,0.0598769656,GGA+U,P-1,ABC2D5E_aP20_2_ab_i_2i_5i_i:Fe-H-Li-O-P,20.0,"Invalid WP multiplicities - ABC2D5E_aP20_2_ab_i_3i_9i_i:Fe-H-Li-O-P, expected Li3FePHO9 to be Li2FePHO5" +mp-1638898,Li2FePHO5,-6.846431694,-2.2636977889,0.0468059651,0.0468059651,GGA+U,P-1,ABC2D5E_aP20_2_ab_i_2i_5i_i:Fe-H-Li-O-P,20.0,"Invalid WP multiplicities - ABC2D5E_aP20_2_ab_i_3i_9i_i:Fe-H-Li-O-P, expected Li3FePHO9 to be Li2FePHO5" +mp-851030,Li2FePHO5,-6.8365986895,-2.2538647844,0.0566389696,0.0566389696,GGA+U,P2_1/c,ABC2D5E_mP40_14_e_e_2e_5e_e:Fe-H-Li-O-P,40.0,"Invalid WP multiplicities - ABC2D5E_mP40_14_e_e_7e_17e_e:Fe-H-Li-O-P, expected Li7FePHO17 to be Li2FePHO5" +mp-755383,Li3FeP2HO8,-6.9763608467000005,-2.4437188094,0.034161037,0.034161037,GGA+U,P-1,ABC3D8E2_aP15_2_b_c_ai_4i_i:Fe-H-Li-O-P,15.0,"Invalid WP multiplicities - ABC3D8E2_aP15_2_b_c_a2i_7i_i:Fe-H-Li-O-P, expected Li5FeP2HO14 to be Li3FeP2HO8" +mp-781053,LiFeP3(HO5)2,-7.1430909572,-2.2683150278,0.0738636335,0.0738636335,GGA+U,P2_1/c,AB2CD10E3_mP68_14_e_2e_e_10e_3e:Fe-H-Li-O-P,68.0,"Invalid WP multiplicities - AB2CD10E3_mP68_14_e_7e_e_37e_11e:Fe-H-Li-O-P, expected LiFeP11H7O37 to be LiFeP3(HO5)2" +mp-1177403,Li4FeP6(H4O11)2,-6.7040984676,-2.2027694987,0.0540066155,0.0540066155,GGA+U,P-1,AB8C4D22E6_aP41_2_a_4i_2i_11i_3i:Fe-H-Li-O-P,41.0,"Invalid WP multiplicities - AB8C4D22E6_aP41_2_a_7i_3i_21i_5i:Fe-H-Li-O-P, expected Li6FeP10(HO3)14 to be Li4FeP6(H4O11)2" +mp-850255,LiFeP3H8O13,-6.4280600944,-1.8869980482,0.0966659793,0.0966659793,GGA+U,P-1,AB8CD13E3_aP52_2_be_8i_i_13i_3i:Fe-H-Li-O-P,52.0,"Invalid WP multiplicities - AB8CD13E3_aP52_2_be_15i_i_25i_5i:Fe-H-Li-O-P, expected LiFeP5(H3O5)5 to be LiFeP3H8O13" +mp-777764,LiFeP3H8O13,-6.4717467962,-1.9306847499,0.0529792776,0.0529792776,GGA+U,P-1,AB8CD13E3_aP52_2_i_8i_bc_13i_3i:Fe-H-Li-O-P,52.0,"Invalid WP multiplicities - AB8CD13E3_aP52_2_i_15i_bc_25i_5i:Fe-H-Li-O-P, expected LiFeP5(H3O5)5 to be LiFeP3H8O13" +mp-849293,LiFeP3H8O13,-6.4733900731,-1.9323280268,0.0513360006,0.0513360006,GGA+U,P-1,AB8CD13E3_aP52_2_bc_8i_i_13i_3i:Fe-H-Li-O-P,52.0,"Invalid WP multiplicities - AB8CD13E3_aP52_2_bc_15i_i_25i_5i:Fe-H-Li-O-P, expected LiFeP5(H3O5)5 to be LiFeP3H8O13" +mp-782655,LiFeP(H6O5)2,-5.8149391672,-1.5760653178,0.0416748688,0.0416748688,GGA+U,Pmn2_1,AB12CD10E_oP50_31_a_2a5b_a_4a3b_a:Fe-H-Li-O-P,50.0,"Invalid WP multiplicities - AB12CD10E_oP50_31_a_4a18b_a_8a10b_a:Fe-H-Li-O-P, expected LiFeP(H10O7)4 to be LiFeP(H6O5)2" +mp-780853,LiFe3P3(HO6)2,-7.474547674,-2.2505185959,0.0081269155,0.0081269155,GGA+U,C2/c,A3B2CD12E3_mC84_15_ef_f_e_6f_ef:Fe-H-Li-O-P,42.0,"Invalid WP multiplicities - A3B2CD12E3_mC84_15_e2f_f_e_23f_e2f:Fe-H-Li-O-P, expected LiFe5P5(HO23)2 to be LiFe3P3(HO6)2" +mp-759228,Li2FeP4(H4O5)4,-6.2156089345,-1.8630864249,0.0149893691,0.0149893691,GGA+U,P2_1/c,AB16C2D20E4_mP86_14_a_8e_e_10e_2e:Fe-H-Li-O-P,86.0,"Invalid WP multiplicities - AB16C2D20E4_mP86_14_a_29e_e_37e_3e:Fe-H-Li-O-P, expected Li2FeP6(H29O37)2 to be Li2FeP4(H4O5)4" +mp-1177405,Li4FeP6(HO2)12,-6.5127498647,-2.0868186024,0.0486418018,0.0486418018,GGA+U,P-1,AB12C4D24E6_aP47_2_a_6i_2i_12i_3i:Fe-H-Li-O-P,47.0,"Invalid WP multiplicities - AB12C4D24E6_aP47_2_a_11i_3i_23i_5i:Fe-H-Li-O-P, expected Li6FeP10(H11O23)2 to be Li4FeP6(HO2)12" +mp-778046,LiFeP2H5O9,-6.5460188564,-1.9521645388,0.0722670726,0.0722670726,GGA+U,P-1,AB5CD9E2_aP36_2_i_5i_i_9i_2i:Fe-H-Li-O-P,36.0,"Invalid WP multiplicities - AB5CD9E2_aP36_2_i_9i_i_17i_3i:Fe-H-Li-O-P, expected LiFeP3H9O17 to be LiFeP2H5O9" +mp-779003,LiFeP2H5O9,-6.5791779249,-1.9853236073,0.0391080042,0.0391080042,GGA+U,Pna2_1,AB5CD9E2_oP72_33_a_5a_a_9a_2a:Fe-H-Li-O-P,72.0,"Invalid WP multiplicities - AB5CD9E2_oP72_33_a_19a_a_36a_8a:Fe-H-Li-O-P, expected LiFeP8H19O36 to be LiFeP2H5O9" +mp-753272,Li3Fe2P4HO14,-7.3095120604,-2.4359125167,0.0449955124,0.0449955124,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ci_7i_2i:Fe-H-Li-O-P,24.0,"Invalid WP multiplicities - A2BC3D14E4_aP24_2_i_a_c2i_13i_3i:Fe-H-Li-O-P, expected Li5Fe2P6HO26 to be Li3Fe2P4HO14" +mp-800105,Li3Fe2P4HO14,-5.9416221438,-1.0680226,1.412885429,1.412885429,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Fe-H-Li-O-P,24.0,"Invalid WP multiplicities - A2BC3D14E4_aP24_2_i_a_e2i_13i_3i:Fe-H-Li-O-P, expected Li5Fe2P6HO26 to be Li3Fe2P4HO14" +mp-1378966,Li3Fe2P4HO14,-6.7683425058,-1.8947429621,0.5861650669,0.5861650669,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ei_7i_2i:Fe-H-Li-O-P,24.0,"Invalid WP multiplicities - A2BC3D14E4_aP24_2_i_a_e2i_13i_3i:Fe-H-Li-O-P, expected Li5Fe2P6HO26 to be Li3Fe2P4HO14" +mp-1638873,Li3Fe2P4HO14,-7.3150960883,-2.4414965446,0.0394114844,0.0394114844,GGA+U,P-1,A2BC3D14E4_aP24_2_i_a_ci_7i_2i:Fe-H-Li-O-P,48.0,A2BC3D14E4_aP24_2_i_a_ci_7i_2i:Fe-H-Li-O-P +mp-1177422,Li4Fe2P4H3O16,-7.0273455355,-2.3530647966,0.0214268703,0.0214268703,GGA+U,P1,A2B3C4D16E4_aP29_1_2a_3a_4a_16a_4a:Fe-H-Li-O-P,29.0,A2B3C4D16E4_aP29_1_2a_3a_4a_16a_4a:Fe-H-Li-O-P +mp-752522,Li2Fe2P4H3O16,-7.0898180393,-2.2106959765,0.0619871948,0.0619871948,GGA+U,P1,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Fe-H-Li-O-P,27.0,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Fe-H-Li-O-P +mp-1662213,Li2Fe2P4H3O16,-7.1060627419,-2.2269406791,0.0457424922,0.0457424922,GGA+U,P1,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Fe-H-Li-O-P,27.0,A2B3C2D16E4_aP27_1_2a_3a_2a_16a_4a:Fe-H-Li-O-P +mp-1663191,Li2Fe2P4H3O16,-7.10464415,-2.2255220872,0.0471610841,0.0471610841,GGA+U,P1,A2B3C2D16E4_aP54_1_4a_6a_4a_32a_8a:Fe-H-Li-O-P,54.0,A2B3C2D16E4_aP54_1_4a_6a_4a_32a_8a:Fe-H-Li-O-P +mp-759221,Li3Fe4P3H12O19,-6.4609427284,-1.8134656793,0.0924094506,0.0924094506,GGA+U,R3c,A4B12C3D19E3_hR246_161_ab_4b_b_a6b_b:Fe-H-Li-O-P,82.0,"Invalid WP multiplicities - A4B12C3D19E3_hR246_161_a2b_20b_b_a30b_b:Fe-H-Li-O-P, expected Li3Fe7P3H60O91 to be Li3Fe4P3H12O19" +mp-1195117,LiFeP2(HO3)2,-6.8496651150000005,-2.0437373277,0.0849046009,0.0849046009,GGA+U,I-42d,AB2CD6E2_tI96_122_d_e_d_3e_e:Fe-H-Li-O-P,48.0,AB2CD6E2_tI96_122_d_e_d_3e_e:Fe-H-Li-O-P +mp-760258,Li2VFeP2(HO5)2,-7.2812631261,-2.3673343912,0.0083198417,0.0083198417,GGA+U,P1,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Fe-H-Li-O-P-V,54.0,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Fe-H-Li-O-P-V +mp-1177765,Li2VFeP2(HO5)2,-7.2798849176,-2.3659561826,0.0096980503,0.0096980503,GGA+U,P1,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Fe-H-Li-O-P-V,54.0,AB2C2D10E2F_aP54_1_3a_6a_6a_30a_6a_3a:Fe-H-Li-O-P-V +mp-1177766,Li2VFeP2(HO5)2,-7.2774974611,-2.3635687262,0.0120855067,0.0120855067,GGA+U,P1,AB2C2D10E2F_aP36_1_2a_4a_4a_20a_4a_2a:Fe-H-Li-O-P-V,36.0,AB2C2D10E2F_aP36_1_2a_4a_4a_20a_4a_2a:Fe-H-Li-O-P-V +mp-760034,Li2VFeP2(HO5)2,-7.2813061689,-2.3673774339,0.008276799,0.008276799,GGA+U,P-1,AB2C2D10E2F_aP54_2_ai_3i_3i_15i_3i_ci:Fe-H-Li-O-P-V,54.0,"Invalid WP multiplicities - AB2C2D10E2F_aP54_2_a2i_5i_4i_29i_4i_c2i:Fe-H-Li-O-P-V, expected Li8V5Fe5P8(H5O29)2 to be Li2VFeP2(HO5)2" +mp-760822,Li2VFeP2(HO5)2,-7.2764273236,-2.3624985887,0.0131556442,0.0131556442,GGA+U,P-1,AB2C2D10E2F_aP36_2_ah_2i_2i_10i_2i_cf:Fe-H-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C2D10E2F_aP36_2_ah_3i_3i_19i_3i_cf:Fe-H-Li-O-P-V, expected Li3VFeP3H3O19 to be Li2VFeP2(HO5)2" +mp-1177767,Li2VFeP2(HO5)2,-7.2845919506,-2.3706632156,0.0049910173,0.0049910173,GGA+U,P-1,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Fe-H-Li-O-P-V,36.0,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Fe-H-Li-O-P-V +mp-1177768,Li2VFeP2(HO5)2,-7.2828025825,-2.3688738475,0.0067803854,0.0067803854,GGA+U,P-1,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Fe-H-Li-O-P-V,36.0,AB2C2D10E2F_aP18_2_a_i_i_5i_i_b:Fe-H-Li-O-P-V +mp-1177777,Li2VFeP2(HO5)2,-7.2766742386,-2.3627455037,0.0129087292,0.0129087292,GGA+U,P-1,AB2C2D10E2F_aP36_2_af_2i_2i_10i_2i_ch:Fe-H-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C2D10E2F_aP36_2_af_3i_3i_19i_3i_ch:Fe-H-Li-O-P-V, expected Li3VFeP3H3O19 to be Li2VFeP2(HO5)2" +mp-1177823,Li2VFeP2(HO5)2,-7.2775769544,-2.3636482195,0.0120060134,0.0120060134,GGA+U,P-1,AB2C2D10E2F_aP36_2_af_2i_2i_10i_2i_ch:Fe-H-Li-O-P-V,36.0,"Invalid WP multiplicities - AB2C2D10E2F_aP36_2_af_3i_3i_19i_3i_ch:Fe-H-Li-O-P-V, expected Li3VFeP3H3O19 to be Li2VFeP2(HO5)2" +mp-760297,LiVFeP2(HO5)2,-7.3873788286,-2.2966850426,0.0276961789,0.0276961789,GGA+U,P1,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V,51.0,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V +mp-759855,LiVFeP2(HO5)2,-7.3908783657,-2.3001845797,0.0241966419,0.0241966419,GGA+U,P1,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V,51.0,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V +mp-759528,LiVFeP2(HO5)2,-7.3897668778,-2.2990730918,0.0253081297,0.0253081297,GGA+U,P1,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V,51.0,AB2CD10E2F_aP51_1_3a_6a_3a_30a_6a_3a:Fe-H-Li-O-P-V +mp-765988,LiVFeP2(HO5)2,-7.3945511426,-2.3038573566,0.0205238649,0.0205238649,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V,34.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V +mp-802313,LiVFeP2(HO5)2,-4.2736368147,0.8170569713,3.1414381928,3.1414381928,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V,17.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V +mp-1404407,LiVFeP2(HO5)2,-4.3131661165,0.7775276696000001,3.1019088911,3.1019088911,GGA+U,P1,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V,17.0,AB2CD10E2F_aP17_1_a_2a_a_10a_2a_a:Fe-H-Li-O-P-V +mp-760163,LiVFeP2(HO5)2,-7.3894873353,-2.2987935493,0.0255876722,0.0255876722,GGA+U,P-1,AB2CD10E2F_aP34_2_be_2i_i_10i_2i_i:Fe-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_be_3i_i_19i_3i_i:Fe-H-Li-O-P-V, expected LiVFeP3H3O19 to be LiVFeP2(HO5)2" +mp-760016,LiVFeP2(HO5)2,-7.3883364668,-2.2976426807,0.0267385408,0.0267385408,GGA+U,P-1,AB2CD10E2F_aP34_2_ah_2i_i_10i_2i_cf:Fe-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_ah_3i_i_19i_3i_cf:Fe-H-Li-O-P-V, expected LiVFeP3H3O19 to be LiVFeP2(HO5)2" +mp-760043,LiVFeP2(HO5)2,-7.3909608138,-2.3002670278,0.0241141937,0.0241141937,GGA+U,P-1,AB2CD10E2F_aP34_2_i_2i_i_10i_2i_ab:Fe-H-Li-O-P-V,34.0,"Invalid WP multiplicities - AB2CD10E2F_aP34_2_i_2i_i_16i_4i_ab:Fe-H-Li-O-P-V, expected LiVFeP4(HO8)2 to be LiVFeP2(HO5)2" +mp-849240,Li2Fe3P4(HO4)4,-7.1717961569,-2.2201050207,0.0213369409,0.0213369409,GGA+U,P2_1/c,A3B4C2D16E4_mP58_14_ae_2e_e_8e_2e:Fe-H-Li-O-P,58.0,"Invalid WP multiplicities - A3B4C2D16E4_mP58_14_2a2e_5e_e_29e_5e:Fe-H-Li-O-P, expected LiFe3P5H5O29 to be Li2Fe3P4(HO4)4" +mp-781683,LiFeP2HO7,-7.3009127017,-2.3654880255,0.0203463913,0.0203463913,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:Fe-H-Li-O-P,48.0,ABCD7E2_aP24_2_i_i_i_7i_2i:Fe-H-Li-O-P +mp-850985,LiFeP2HO7,-7.2592471227,-2.3238224466,0.0620119702,0.0620119702,GGA+U,P-1,ABCD7E2_aP48_2_2i_2i_2i_14i_4i:Fe-H-Li-O-P,48.0,"Invalid WP multiplicities - ABCD7E2_aP48_2_4i_4i_2i_28i_6i:Fe-H-Li-O-P, expected LiFe2P3(HO7)2 to be LiFeP2HO7" +mp-754533,LiFeP2HO7,-7.2689045817,-2.3334799055,0.0523545113,0.0523545113,GGA+U,P-1,ABCD7E2_aP24_2_i_i_i_7i_2i:Fe-H-Li-O-P,48.0,ABCD7E2_aP24_2_i_i_i_7i_2i:Fe-H-Li-O-P +mp-1199124,NaAl2H18S4N4ClO18,-5.9115283415,-1.5227062916,0.0,-0.0001969489,GGA,I4_1/acd,A2BC18D4EF18G4_tI384_142_f_b_e4g_g_a_e4g_g:Al-Cl-H-N-Na-O-S,192.0,A2BC18D4EF18G4_tI384_142_f_b_e4g_g_a_e4g_g:Al-Cl-H-N-Na-O-S +mp-648140,Na2Al2S3(Cl4O3)2,-5.0428154965,-1.8516737158,0.0201354779,0.0201354779,GGA,P2_1/c,A2B8C2D6E3_mP84_14_2e_8e_2e_6e_3e:Al-Cl-Na-O-S,84.0,"Invalid WP multiplicities - A2B8C2D6E3_mP84_14_6e_30e_3e_22e_9e:Al-Cl-Na-O-S, expected Na3Al6S9(Cl15O11)2 to be Na2Al2S3(Cl4O3)2" +mp-4366,Na2PtC2,-5.486982656,-0.0522796776,0.057394362,0.057394362,GGA,P-3m1,A2B2C_hP5_164_c_d_a:C-Na-Pt,5.0,A2B2C_hP5_164_c_d_a:C-Na-Pt +mp-706285,Na2H4PtC4Br2(N2O)2,-6.1814459171,-0.6263320308,0.248363019,0.248363019,GGA,Pnma,A2B4C4D4E2F2G_oP76_62_2c_2d_2d_2d_d_d_c:Br-C-H-N-Na-O-Pt,76.0,A2B4C4D4E2F2G_oP76_62_2c_2d_2d_2d_d_d_c:Br-C-H-N-Na-O-Pt +mp-849764,H28Pt2Br5N9O2,-4.9756441464000005,-0.6316100312,0.0479643841,0.0479643841,GGA,P2_1/c,A5B28C9D2E2_mP184_14_5e_28e_9e_2e_2e:Br-H-N-O-Pt,184.0,"Invalid WP multiplicities - A5B28C9D2E2_mP184_14_19e_111e_35e_7e_7e:Br-H-N-O-Pt, expected H111Pt7Br19(N5O)7 to be H28Pt2Br5N9O2" +mp-720849,Na2H6PtC4N4O3,-6.4180809774,-0.7094185783,0.1175200295,0.1175200295,GGA,P-1,A4B6C4D2E3F_aP80_2_8i_12i_8i_bc3i_6i_2i:C-H-N-Na-O-Pt,80.0,A4B6C4D2E3F_aP80_2_8i_12i_8i_bc3i_6i_2i:C-H-N-Na-O-Pt +mp-1180513,Na2Pt(CO4)4,-6.0129135813,-0.5877890049,0.7742789676,0.7742789676,GGA,Cmce,A4B2C16D_oC92_64_g_e_df3g_a:C-Na-O-Pt,46.0,A4B2C16D_oC92_64_g_e_df3g_a:C-Na-O-Pt +mp-1199369,H9PtC3Br,-4.8728412677,-0.1696489439,0.1034001719,0.1034001719,GGA,C2/m,AB3C9D_mC224_12_2ij_2i5j_2i17j_2ij:Br-C-H-Pt,112.0,AB3C9D_mC224_12_2ij_2i5j_2i17j_2ij:Br-C-H-Pt +mp-1205203,Si3PH27C9(NCl)2,-5.2138547998,-0.2883795176,0.1183587456,0.1183587456,GGA,P2_1/c,A9B2C27D2EF3_mP176_14_9e_2e_27e_2e_e_3e:C-Cl-H-N-P-Si,176.0,A9B2C27D2EF3_mP176_14_9e_2e_27e_2e_e_3e:C-Cl-H-N-P-Si +mp-1200604,SiP4H28(C5Cl2)2,-5.0501495928,-0.3319440846,0.042809074,0.042809074,GGA,P-1,A10B4C28D4E_aP47_2_5i_2i_14i_2i_a:C-Cl-H-P-Si,47.0,A10B4C28D4E_aP47_2_5i_2i_14i_2i_a:C-Cl-H-P-Si +mp-1200839,SiP2H18(C3Cl2)2,-4.9636349918,-0.4446952676,0.0209067392,0.0209067392,GGA,P2_1/c,A6B4C18D2E_mP62_14_3e_2e_9e_e_a:C-Cl-H-P-Si,62.0,A6B4C18D2E_mP62_14_3e_2e_9e_e_a:C-Cl-H-P-Si +mp-669508,TaP2NCl12,-4.7264861984,-1.4012788554,0.0,-0.0197187891,GGA,C2/c,A12BC2D_mC64_15_6f_e_f_a:Cl-N-P-Ta,32.0,"Invalid WP multiplicities - A12BC2D_mC64_15_20f_e_f_c:Cl-N-P-Ta, expected TaP2NCl40 to be TaP2NCl12" +mp-1208335,Ta5Si3N,-10.0264926767,-0.7041218806,0.0422728852,0.0422728852,GGA,P6_3/mcm,AB3C5_hP18_193_b_g_dg:N-Si-Ta,18.0,AB3C5_hP18_193_b_g_dg:N-Si-Ta +mp-570489,TaPNCl7,-5.3261579138,-1.4714247456,0.0297872726,0.0297872726,GGA,P2_1/c,A7BCD_mP40_14_7e_e_e_e:Cl-N-P-Ta,40.0,"Invalid WP multiplicities - A7BCD_mP40_14_24e_e_e_e:Cl-N-P-Ta, expected TaPNCl24 to be TaPNCl7" +mp-1246418,Ta3Si6N11,-8.7662296855,-0.7748954233,0.5405942075,0.5405942075,GGA,P4bm,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Ta,40.0,A11B6C3_tP40_100_bc2d_cd_ac:N-Si-Ta +mp-1197423,TaSi2H36C12N4Cl,-5.4406616603,-0.2480714178,0.1559000341,0.1559000341,GGA,P2_1/c,A12BC36D4E2F_mP224_14_12e_e_36e_4e_2e_e:C-Cl-H-N-Si-Ta,224.0,A12BC36D4E2F_mP224_14_12e_e_36e_4e_2e_e:C-Cl-H-N-Si-Ta +mp-568259,TaSi2PH18C6(NCl3)2,-5.3694301266,-0.5825693552,0.0859683909,0.0859683909,GGA,P2_1/c,A6B6C18D2EF2G_mP144_14_6e_6e_18e_2e_e_2e_e:C-Cl-H-N-P-Si-Ta,144.0,"Invalid WP multiplicities - A6B6C18D2EF2G_mP144_14_21e_21e_67e_7e_e_3e_e:C-Cl-H-N-P-Si-Ta, expected TaSi3PH67C21(NCl3)7 to be TaSi2PH18C6(NCl3)2" +mp-1203768,TaSiH33C11N5Cl,-5.5232516581,-0.2484557572,0.1545764656,0.1545764656,GGA,P2_1/c,A11BC33D5EF_mP208_14_11e_e_33e_5e_e_e:C-Cl-H-N-Si-Ta,208.0,A11BC33D5EF_mP208_14_11e_e_33e_5e_e_e:C-Cl-H-N-Si-Ta +mp-657794,TaSi2H35(C3N)4,-4.4334393483,0.8544086308000001,1.2293683621,1.2293683621,GGA,P-1,A12B35C4D2E_aP108_2_12i_35i_4i_2i_i:C-H-N-Si-Ta,108.0,"Invalid WP multiplicities - A12B35C4D2E_aP108_2_23i_68i_8i_2i_i:C-H-N-Si-Ta, expected TaSi2H68C23N8 to be TaSi2H35(C3N)4" +mp-570584,TaSi2H35(C3N)4,-5.5139554694,-0.2261074902,0.1488522411,0.1488522411,GGA,P-1,A12B35C4D2E_aP108_2_12i_35i_4i_2i_i:C-H-N-Si-Ta,108.0,"Invalid WP multiplicities - A12B35C4D2E_aP108_2_23i_68i_8i_2i_i:C-H-N-Si-Ta, expected TaSi2H68C23N8 to be TaSi2H35(C3N)4" +mp-1196107,TaP2H27C9Cl2,-5.1642741363,-0.2607851458,0.0847322227,0.0847322227,GGA,C2/c,A9B2C27D2E_mC328_15_9f_2f_27f_2f_f:C-Cl-H-P-Ta,164.0,A9B2C27D2E_mC328_15_9f_2f_27f_2f_f:C-Cl-H-P-Ta +mp-556725,CuH8C2Br3NO,-4.8221969391,-0.5946585240000001,0.0888947806,0.0888947806,GGA,P-1,A3B2CD8EF_aP32_2_3i_2i_i_8i_i_i:Br-C-Cu-H-N-O,32.0,"Invalid WP multiplicities - A3B2CD8EF_aP32_2_4i_4i_i_13i_i_i:Br-C-Cu-H-N-O, expected CuH13C4Br4NO to be CuH8C2Br3NO" +mp-1213405,CuBr4(NO)2,-3.2342148683,0.8633059386,1.33507786,1.33507786,GGA,P4_2/mnm,A4BC2D2_tP18_136_fg_a_d_e:Br-Cu-N-O,18.0,A4BC2D2_tP18_136_fg_a_d_e:Br-Cu-N-O +mp-1080538,CuBr4(NO)2,-3.2553341289,0.8421866781,1.3139585994,1.3139585994,GGA,I4/mmm,A4BC2D2_tI18_139_h_a_d_e:Br-Cu-N-O,9.0,A4BC2D2_tI18_139_h_a_d_e:Br-Cu-N-O +mp-1103461,As4BrNO6,-5.7166527967,-0.8661420348000001,0.539707963,0.539707963,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-Br-N-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-Br-N-O +mp-1193617,CuH8(BrO2)2,-4.7512350873,-1.1423133183,0.028967376,0.028967376,GGA,P2_1/c,A2BC8D4_mP30_14_e_a_4e_2e:Br-Cu-H-O,30.0,A2BC8D4_mP30_14_e_a_4e_2e:Br-Cu-H-O +mp-542553,Cu3As4H18C8Br3(NO2)2,-5.3535337143,-0.426121427,0.1874803936,0.1874803936,GGA,C2/c,A4B3C8D3E18F2G4_mC168_15_2f_ef_4f_ef_9f_f_2f:As-Br-C-Cu-H-N-O,84.0,A4B3C8D3E18F2G4_mC168_15_2f_ef_4f_ef_9f_f_2f:As-Br-C-Cu-H-N-O +mp-24103,CuH12Br4(NO)2,-4.5431791414,-0.8483981985,0.027454016,0.027454016,GGA,P4_2/mnm,A4BC12D2E2_tP42_136_fg_a_jk_d_e:Br-Cu-H-N-O,42.0,"Invalid WP multiplicities - A4BC12D2E2_tP42_136_2fg_a_jk_d_e:Br-Cu-H-N-O, expected CuH12Br6(NO)2 to be CuH12Br4(NO)2" +mp-1193718,Cu4Br6N4O,-3.6645001957,0.6026774758,1.1653807217,1.1653807217,GGA,P-42_1c,A6B4C4D_tP30_114_ce_e_e_a:Br-Cu-N-O,30.0,A6B4C4D_tP30_114_ce_e_e_a:Br-Cu-N-O +mp-740737,CuH12(BrO6)2,-4.5253490031,-0.55208084,0.4229870231,0.4229870231,GGA,Pa-3,A2BC12D12_cP108_205_c_a_2d_2d:Br-Cu-H-O,108.0,A2BC12D12_cP108_205_c_a_2d_2d:Br-Cu-H-O +mp-605172,Cu3As2H16C16Br3(NO)2,-6.009061444,-0.2185256785,0.2068129487,0.2068129487,GGA,P-1,A2B3C16D3E16F2G2_aP88_2_2i_3i_16i_3i_16i_2i_2i:As-Br-C-Cu-H-N-O,88.0,"Invalid WP multiplicities - A2B3C16D3E16F2G2_aP88_2_3i_5i_32i_6i_31i_2i_3i:As-Br-C-Cu-H-N-O, expected Cu6As3H31C32Br5N2O3 to be Cu3As2H16C16Br3(NO)2" +mp-684828,NaCeH2S2O9,-6.7046778804,-2.2490669022,0.0,-0.0210274711,GGA,P3_2,AB2CD9E2_hP45_145_a_2a_a_9a_2a:Ce-H-Na-O-S,45.0,"Invalid WP multiplicities - AB2CD9E2_hP45_145_a_4a_a_26a_2a:Ce-H-Na-O-S, expected NaCeH4(SO13)2 to be NaCeH2S2O9" +mp-1221085,NaCe(MoO4)2,-8.2004759425,-2.4904405793,0.032806951,0.032806951,GGA+U,I-4,AB2CD8_tI24_82_a_bc_d_2g:Ce-Mo-Na-O,12.0,"Invalid WP multiplicities - AB2CD8_tI24_82_a_bc_d_3g:Ce-Mo-Na-O, expected NaCe(MoO6)2 to be NaCe(MoO4)2" +mp-1204389,NaCeMo8H40C12(S3O17)2,-6.2561514524,-1.0259557816,0.3229814755,0.3229814755,GGA+U,C2/c,A12BC40D8EF34G6_mC408_15_6f_e_20f_4f_c_17f_3f:C-Ce-H-Mo-Na-O-S,204.0,A12BC40D8EF34G6_mC408_15_6f_e_20f_4f_a_17f_3f:C-Ce-H-Mo-Na-O-S +mp-698470,LiAlH16(CN)4,-5.3447039273,-0.337059424,0.1165630216,0.1165630216,GGA,I4_1,AB4C16DE4_tI208_80_b_4b_16b_b_4b:Al-C-H-Li-N,104.0,AB4C16DE4_tI208_80_b_4b_16b_b_4b:Al-C-H-Li-N +mp-1195591,LiAlH34(C3N)4,-5.2510973773,-0.1530752651,0.1838037508,0.1838037508,GGA,P6_3,AB12C34DE4_hP104_173_b_4c_b11c_b_bc:Al-C-H-Li-N,104.0,AB12C34DE4_hP104_173_b_4c_b11c_b_bc:Al-C-H-Li-N +mp-643158,PH8IN4,-5.3553914368,-0.5429302285000001,0.0004860784,0.0004860784,GGA,P4/nbm,A8BC4D_tP28_125_n_a_m_d:H-I-N-P,28.0,A8BC4D_tP28_125_n_a_m_d:H-I-N-P +mp-1193609,PH8IN4,-4.8186085143,-0.006147306,0.5372690009000001,0.5372690009000001,GGA,P4/nbm,A8BC4D_tP28_125_n_a_m_d:H-I-N-P,28.0,A8BC4D_tP28_125_n_a_m_d:H-I-N-P +mp-1210525,PH4IN4,-5.2986452807,0.0817099929,0.6015788796,0.6015788796,GGA,P4/nbm,A4BC4D_tP40_125_n_e_n_f:H-I-N-P,40.0,A4BC4D_tP40_125_n_e_n_f:H-I-N-P +mp-601200,PH15C18INCl2,-6.2522707598,-0.0436626903,0.2232972902,0.2232972902,GGA,Pna2_1,A18B2C15DEF_oP152_33_18a_2a_15a_a_a_a:C-Cl-H-I-N-P,152.0,"Invalid WP multiplicities - A18B2C15DEF_oP152_33_70a_5a_58a_a_a_a:C-Cl-H-I-N-P, expected PH58C70INCl5 to be PH15C18INCl2" +mp-573373,PICl8,-3.1355839955,-0.9680877818,0.0,-0.18084276,GGA,Imma,A8BC_oI80_74_2eh2i2j_2e_f:Cl-I-P,40.0,"Invalid WP multiplicities - A8BC_oI80_74_4e4h8i15j_3e_f:Cl-I-P, expected P2I3Cl88 to be PICl8" +mp-1196394,P2H19C6I7N,-4.5897218297,-0.3237089098,0.0,-0.0003634272,GGA,P-1,A6B19C7DE2_aP140_2_12i_38i_14i_2i_4i:C-H-I-N-P,140.0,A6B19C7DE2_aP140_2_12i_38i_14i_2i_4i:C-H-I-N-P +mp-995237,SiH6CI3N,-4.3823518142,-0.4017740002,0.1325028212,0.1325028212,GGA,P1,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Si,48.0,AB6C3DE_aP48_1_4a_24a_12a_4a_4a:C-H-I-N-Si +mp-27824,PICl6,-3.2312923794,-0.9840562773,0.0,-0.0257022508,GGA,P-42_1m,A6BC_tP16_113_ef_c_a:Cl-I-P,16.0,"Invalid WP multiplicities - A6BC_tP16_113_3e3f_c_a:Cl-I-P, expected PICl18 to be PICl6" +mp-738707,SiPH18C6INCl,-5.0689291629,-0.2779608789,0.0958090978,0.0958090978,GGA,Iba2,A6BC18DEFG_oI232_45_6c_c_18c_c_c_c_c:C-Cl-H-I-N-P-Si,116.0,A6BC18DEFG_oI232_45_6c_c_18c_c_c_c_c:C-Cl-H-I-N-P-Si +mp-567256,P2H19C6I2NCl4,-4.7779814379,-0.3856941706,0.0565232374,0.0565232374,GGA,P2_1/c,A6B4C19D2EF2_mP136_14_6e_4e_19e_2e_e_2e:C-Cl-H-I-N-P,136.0,"Invalid WP multiplicities - A6B4C19D2EF2_mP136_14_23e_15e_73e_6e_e_5e:C-Cl-H-I-N-P, expected P5H73C23I6NCl15 to be P2H19C6I2NCl4" +mp-683949,AlP3(NCl3)3,-5.0701888914,-1.2182015123,0.0,-6.6941e-06,GGA,Pmn2_1,AB9C3D3_oP64_31_2a_6a6b_2a2b_2a2b:Al-Cl-N-P,64.0,"Invalid WP multiplicities - AB9C3D3_oP64_31_2a_10a24b_4a4b_4a5b:Al-Cl-N-P, expected AlP7N6Cl29 to be AlP3(NCl3)3" +mp-710380,AlSi2HC6NCl3,-6.1294727149,0.102172699,0.8853836788,0.8853836788,GGA,Pbca,AB6C3DEF2_oP112_61_c_6c_3c_c_c_2c:Al-C-Cl-H-N-Si,112.0,AB6C3DEF2_oP112_61_c_6c_3c_c_c_2c:Al-C-Cl-H-N-Si +mp-1248231,AlSi2HC6NCl3,-6.1713469361,0.0602984779,0.8435094576000001,0.8435094576000001,GGA,Pbca,AB6C3DEF2_oP112_61_c_6c_3c_c_c_2c:Al-C-Cl-H-N-Si,112.0,AB6C3DEF2_oP112_61_c_6c_3c_c_c_2c:Al-C-Cl-H-N-Si +mp-1197294,AlSiPH9C3NCl6,-4.9492903551000005,-0.7569066217,0.1242662906,0.1242662906,GGA,P2_1/c,AB3C6D9EFG_mP176_14_2e_6e_12e_18e_2e_2e_2e:Al-C-Cl-H-N-P-Si,176.0,AB3C6D9EFG_mP176_14_2e_6e_12e_18e_2e_2e_2e:Al-C-Cl-H-N-P-Si +mp-567975,AlPNCl5,-4.7975946356,-1.4553375654,0.0120677907,0.0120677907,GGA,P-1,AB5CD_aP16_2_i_5i_i_i:Al-Cl-N-P,16.0,"Invalid WP multiplicities - AB5CD_aP16_2_i_9i_i_i:Al-Cl-N-P, expected AlPNCl9 to be AlPNCl5" +mp-556467,Rb4Nb2S10O,-5.5210957831,-1.3778055625,0.0,-0.0040628413,GGA,Pca2_1,A2BC4D10_oP68_29_2a_a_4a_10a:Nb-O-Rb-S,68.0,"Invalid WP multiplicities - A2BC4D10_oP68_29_6a_a_12a_39a:Nb-O-Rb-S, expected Rb12Nb6S39O to be Rb4Nb2S10O" +mp-1220771,Rb2Nb3C3S3N3(Cl3O)2,-6.2177866561,-0.8380406788,0.628240511,0.628240511,GGA,P-1,A3B6C3D3E2F2G3_aP44_2_3i_6i_3i_3i_2i_2i_3i:C-Cl-N-Nb-O-Rb-S,44.0,A3B6C3D3E2F2G3_aP44_2_3i_6i_3i_3i_2i_2i_3i:C-Cl-N-Nb-O-Rb-S +mp-562977,RbNbS2O9,-7.1837092115,-2.2702525002,0.0,-0.0325147852,GGA,Pnma,AB9CD2_oP52_62_c_5c2d_c_2c:Nb-O-Rb-S,52.0,"Invalid WP multiplicities - AB9CD2_oP52_62_c_18c15d_c_5c:Nb-O-Rb-S, expected RbNbS5O48 to be RbNbS2O9" +mp-1029493,RbNbN2,-7.8602013361,-0.9214940955,0.0,-0.1474962514,GGA,Pbca,A2BC_oP64_61_4c_2c_2c:N-Nb-Rb,64.0,A2BC_oP64_61_4c_2c_2c:N-Nb-Rb +mp-1205154,GaSi3PH30C10(NCl2)2,-5.1260915043,-0.364269438,0.1028166256,0.1028166256,GGA,P2_1,A10B4CD30E2FG3_mP102_4_10a_4a_a_30a_2a_a_3a:C-Cl-Ga-H-N-P-Si,102.0,A10B4CD30E2FG3_mP102_4_10a_4a_a_30a_2a_a_3a:C-Cl-Ga-H-N-P-Si +mp-1195290,Ga3Si5P10H36C12N4Cl11,-5.1313333764,-0.4781739964,0.0909077519,0.0909077519,GGA,P2_1/c,A12B11C3D36E4F10G5_mP324_14_12e_11e_3e_36e_4e_10e_5e:C-Cl-Ga-H-N-P-Si,324.0,A12B11C3D36E4F10G5_mP324_14_12e_11e_3e_36e_4e_10e_5e:C-Cl-Ga-H-N-P-Si +mp-683966,GaP3(NCl3)3,-4.9218061623,-1.1146612712,0.00404943,0.00404943,GGA,P2_1/c,A9BC3D3_mP128_14_18e_2e_6e_6e:Cl-Ga-N-P,128.0,"Invalid WP multiplicities - A9BC3D3_mP128_14_68e_4e_24e_20e:Cl-Ga-N-P, expected GaP5N6Cl17 to be GaP3(NCl3)3" +mp-1224931,GaPH11C3Cl,-4.7114911885,-0.282319532,0.0785436231,0.0785436231,GGA,P-1,A3BCD11E_aP34_2_3i_i_i_11i_i:C-Cl-Ga-H-P,34.0,"Invalid WP multiplicities - A3BCD11E_aP34_2_5i_i_i_19i_i:C-Cl-Ga-H-P, expected GaPH19C5Cl to be GaPH11C3Cl" +mp-1199354,ZnH20PtC4(NO3)4,-5.9507246433,-1.0743840711,0.0554881679,0.0554881679,GGA,I222,A4B20C4D12EF_oI84_23_k_5k_k_fg2k_b_a:C-H-N-O-Pt-Zn,42.0,A4B20C4D12EF_oI84_23_k_5k_k_fg2k_b_a:C-H-N-O-Pt-Zn +mp-1029265,Mg2ZnN2,-2.880644986,1.346013726,1.9536754065,1.9536754065,GGA,P-43m,A2B2C_cP10_215_e_e_ab:Mg-N-Zn,10.0,A2B2C_cP10_215_e_e_ab:Mg-N-Zn +mp-1207449,ZnPt(CN)6,-7.8865487107,0.1650112489,0.2457660546,0.2457660546,GGA,Fm-3m,A6B6CD_cF56_225_e_e_a_b:C-N-Pt-Zn,14.0,A6B6CD_cF56_225_e_e_a_b:C-N-Pt-Zn +mp-1095741,MgZn2Pt,-1.34163676,1.2060883875,1.676349712,1.676349712,GGA,Immm,ABC2_oI8_71_a_b_e:Mg-Pt-Zn,4.0,ABC2_oI8_71_a_b_e:Mg-Pt-Zn +mp-1185617,MgZn2Pt,-3.00202828,-0.4543031325,0.015958192,0.015958192,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mg-Pt-Zn,4.0,ABC2_cF16_225_a_b_c:Mg-Pt-Zn +mp-1097532,MgZnPt2,-2.15109373,1.599478845,2.2379146638,2.2379146638,GGA,Immm,AB2C_oI8_71_a_e_b:Mg-Pt-Zn,4.0,AB2C_oI8_71_a_e_b:Mg-Pt-Zn +mp-1246995,MgZn5N4,-4.276188991,-0.151691211,0.0241817291,0.0241817291,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Mg-N-Zn,20.0,AB4C5_oP20_59_a_ef_bg:Mg-N-Zn +mp-1032475,Mg6ZnCO8,-5.982579995,-2.2536050517,0.4526919795,0.4526919795,GGA,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:C-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:C-Mg-O-Zn, expected Mg6ZnCO12 to be Mg6ZnCO8" +mp-1032503,Mg6ZnCO8,-5.9711329712,-2.242158028,0.4641390032,0.4641390032,GGA,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:C-Mg-O-Zn,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:C-Mg-O-Zn, expected Mg6ZnCO12 to be Mg6ZnCO8" +mp-1022551,Mg6ZnC,-2.2134777762,0.2977833991,0.3445848211,0.3445848211,GGA,Amm2,AB6C_oC16_38_a_2bde_a:C-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_4b2d2e_a:C-Mg-Zn, expected Mg12ZnC to be Mg6ZnC" +mp-1022576,Mg6ZnC,-2.2664871644,0.2447740109,0.291575433,0.291575433,GGA,Amm2,AB6C_oC16_38_a_abde_b:C-Mg-Zn,16.0,"Invalid WP multiplicities - AB6C_oC16_38_a_2a2b2d2e_b:C-Mg-Zn, expected Mg12ZnC to be Mg6ZnC" +mp-1245625,Mg(ZnN)2,-4.472258204,-0.31370678,0.0060957402,0.0060957402,GGA,P-3m1,AB2C2_hP5_164_a_d_d:Mg-N-Zn,5.0,AB2C2_hP5_164_a_d_d:Mg-N-Zn +mp-1233282,MgZnH20PtC4(NO3)4,-5.8617158109,-1.0615626927,0.1250429869,0.1250429869,GGA,Imm2,A4B20CD4E12FG_oI86_44_2c_2c4d2e_a_2d_2b4cd_a_a:C-H-Mg-N-O-Pt-Zn,43.0,"Invalid WP multiplicities - A4B20CD4E12FG_oI86_44_2c_2c4d4e_a_2d_2b4cd_a_a:C-H-Mg-N-O-Pt-Zn, expected MgZnH28PtC4(NO3)4 to be MgZnH20PtC4(NO3)4" +mp-1235008,MgZnH20PtC4(NO3)4,-5.7782689323,-0.9781158141,0.2084898655,0.2084898655,GGA,Immm,A4B20CD4E12FG_oI86_71_l_l2no_a_n_fg2l_b_c:C-H-Mg-N-O-Pt-Zn,43.0,"Invalid WP multiplicities - A4B20CD4E12FG_oI86_71_l_l2n2o_a_n_fg2l_b_c:C-H-Mg-N-O-Pt-Zn, expected MgZnH28PtC4(NO3)4 to be MgZnH20PtC4(NO3)4" +mp-10185,Mg3ZnC,-2.883171018,0.1746788325,0.2336839175,0.2336839175,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Mg-Zn,5.0,AB3C_cP5_221_b_c_a:C-Mg-Zn +mp-1028019,Mg14ZnC,-1.8924055712,0.1633650414,0.1999967443,0.1999967443,GGA,Amm2,AB14C_oC32_38_a_2b2cdef_a:C-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_oC32_38_a_2b2c2d2ef_a:C-Mg-Zn, expected Mg18ZnC to be Mg14ZnC" +mp-1027903,Mg14ZnC,-1.7856148375,0.2701557752,0.306787478,0.306787478,GGA,P-6m2,AB14C_hP16_187_a_hjkn_b:C-Mg-Zn,16.0,"Invalid WP multiplicities - AB14C_hP16_187_a_h3j3kn_b:C-Mg-Zn, expected Mg26ZnC to be Mg14ZnC" +mp-978266,Mg2ZnPt,-3.1560872525,-0.5232279950000001,0.0177453214,0.0177453214,GGA,Fm-3m,A2BC_cF16_225_c_a_b:Mg-Pt-Zn,4.0,A2BC_cF16_225_c_a_b:Mg-Pt-Zn +mp-1222198,MgZnH12(CO3)4,-6.0647900762,-1.4032013193,0.0781205982,0.0781205982,GGA,P2_1/c,A4B12CD12E_mP60_14_2e_6e_a_6e_d:C-H-Mg-O-Zn,60.0,A4B12CD12E_mP60_14_2e_6e_a_6e_b:C-H-Mg-O-Zn +mp-1035738,Mg14ZnCO16,-6.1494221569,-2.6481924949,0.2319761704,0.2319761704,GGA,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:C-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:C-Mg-O-Zn, expected Mg18ZnCO20 to be Mg14ZnCO16" +mp-1035725,Mg14ZnCO16,-6.1466553347,-2.6454256727,0.2347429925,0.2347429925,GGA,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:C-Mg-O-Zn,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:C-Mg-O-Zn, expected Mg30ZnCO32 to be Mg14ZnCO16" +mp-1189491,ZnPt(CN)4,-7.7806445355,-0.0214926755,0.0915640525,0.0915640525,GGA,P4_2/mcm,A4B4CD_tP20_132_o_o_a_d:C-N-Pt-Zn,20.0,A4B4CD_tP20_132_o_o_a_d:C-N-Pt-Zn +mp-1246773,Mg5ZnN4,-4.945063608,-0.684351252,0.0672400086,0.0672400086,GGA,Pmmn,A5B4C_oP20_59_ag_ef_b:Mg-N-Zn,20.0,A5B4C_oP20_59_ag_ef_b:Mg-N-Zn +mp-1222377,Mg3ZnH24(CO3)8,-6.122858305,-1.4555939408,0.0778991365,0.0778991365,GGA,P-1,A8B24C3D24E_aP60_2_4i_12i_bcd_12i_h:C-H-Mg-O-Zn,60.0,"Invalid WP multiplicities - A8B24C3D24E_aP60_2_8i_24i_bcd_24i_h:C-H-Mg-O-Zn, expected Mg3ZnH48(CO3)16 to be Mg3ZnH24(CO3)8" +mp-1037463,Mg30ZnCO32,-6.2355911981,-2.8482341768,0.1188703055,0.1188703055,GGA,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:C-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:C-Mg-O-Zn, expected Mg90ZnCO80 to be Mg30ZnCO32" +mp-1037091,Mg30ZnCO32,-6.2342937677,-2.8469367464,0.120167736,0.120167736,GGA,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:C-Mg-O-Zn,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:C-Mg-O-Zn, expected Mg110ZnCO72 to be Mg30ZnCO32" +mp-651106,FeSb2WC8Se2(O2F3)4,-6.6262532715,-1.5374721505,0.3599870063,0.3599870063,GGA+U,P2_1/c,A8B12CD8E2F2G_mP136_14_8e_12e_e_8e_2e_2e_e:C-F-Fe-O-Sb-Se-W,136.0,"Invalid WP multiplicities - A8B12CD8E2F2G_mP136_14_28e_44e_e_30e_8e_5e_e:C-F-Fe-O-Sb-Se-W, expected FeSb8WC28Se5(O15F22)2 to be FeSb2WC8Se2(O2F3)4" +mp-691076,Ba2Al4Si6H14O27,-6.2741917874,-1.8887027079,0.6841934839,0.6841934839,GGA,P1,A4B2C14D27E6_aP53_1_4a_2a_14a_27a_6a:Al-Ba-H-O-Si,53.0,A4B2C14D27E6_aP53_1_4a_2a_14a_27a_6a:Al-Ba-H-O-Si +mp-571093,BaAlSiH,-4.081088935,-0.4604402238,0.0,-0.0644994291,GGA,P3m1,ABCD_hP4_156_a_b_a_c:Al-Ba-H-Si,4.0,ABCD_hP4_156_a_b_a_c:Al-Ba-H-Si +mp-759312,MgSiH12(OF)6,-5.4199566612,-2.0012137114,0.0056045542,0.0056045542,GGA,P2_1/c,A6B12CD6E_mP52_14_3e_6e_a_3e_d:F-H-Mg-O-Si,52.0,"Invalid WP multiplicities - A6B12CD6E_mP52_14_5e_21e_a_9e_b:F-H-Mg-O-Si, expected MgSiH42(O9F5)2 to be MgSiH12(OF)6" +mp-1195110,NaFeH22C10(NO6)2,-6.1242328074,-0.8585572073000001,0.1464504849,0.1464504849,GGA+U,P-1,A10BC22D2EF12_aP96_2_10i_i_22i_2i_i_12i:C-Fe-H-N-Na-O,96.0,A10BC22D2EF12_aP96_2_10i_i_22i_2i_i_12i:C-Fe-H-N-Na-O +mp-1198412,SmFeH8C6(N3O2)2,-6.9274261133,-0.5617286881,0.3427891729,0.3427891729,GGA+U,Cmcm,A6BC8D6E4F_oC104_63_fh_a_2fh_fh_fg_c:C-Fe-H-N-O-Sm,52.0,A6BC8D6E4F_oC104_63_fh_a_2fh_fh_fg_c:C-Fe-H-N-O-Sm +mp-1219260,Sm2Fe17CN,-8.2483580952,-0.1058488925,0.0788288926,0.0788288926,GGA,P-1,AB17CD2_aP21_2_e_bch7i_a_i:C-Fe-N-Sm,21.0,"Invalid WP multiplicities - AB17CD2_aP21_2_e_bch13i_a_i:C-Fe-N-Sm, expected Sm2Fe29CN to be Sm2Fe17CN" +mp-818592,SmFeC6(N3O2)2,-7.4631734533,0.2238445853,1.191445812,1.191445812,GGA+U,Cmcm,A6BC6D4E_oC72_63_fh_a_fh_fg_c:C-Fe-N-O-Sm,36.0,A6BC6D4E_oC72_63_fh_a_fh_fg_c:C-Fe-N-O-Sm +mp-1190514,Sm2Fe17H3,-7.5014286295,-0.0648054034,0.0922054163,0.0922054163,GGA,R-3m,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Sm,22.0,A17B3C2_hR66_166_cdfh_e_c:Fe-H-Sm +mp-698430,MnH9CNCl3O2,-5.1636294166,-0.887117798,0.1604139881,0.1604139881,GGA+U,P2_1/c,AB3C9DEF2_mP68_14_e_3e_9e_e_e_2e:C-Cl-H-Mn-N-O,68.0,AB3C9DEF2_mP68_14_e_3e_9e_e_e_2e:C-Cl-H-Mn-N-O +mp-1245537,MnZnN2,-7.0020594013,-0.2283722132,0.0453143187,0.0453143187,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Mn-N-Zn,16.0,AB2C_oP16_33_a_2a_a:Mn-N-Zn +mp-1245494,MnZnN2,-6.9332738052,-0.1595866171,0.1140999148,0.1140999148,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:Mn-N-Zn,64.0,AB2C_oP64_61_2c_4c_2c:Mn-N-Zn +mp-1245538,MnZnN2,-7.01534142,-0.241654232,0.0320323,0.0320323,GGA,I-42d,AB2C_tI16_122_a_d_b:Mn-N-Zn,8.0,AB2C_tI16_122_a_d_b:Mn-N-Zn +mp-1221658,Mn6Zn2CN,-7.65098844,-0.145314501,0.029779524,0.029779524,GGA,P4/mmm,AB6CD2_tP10_123_a_efg_b_h:C-Mn-N-Zn,10.0,"Invalid WP multiplicities - AB6CD2_tP10_123_a_2e2fg_b_h:C-Mn-N-Zn, expected Mn10Zn2CN to be Mn6Zn2CN" +mp-600189,MnH14C3NCl3O2,-5.2563508303,-0.7512817167,0.0569644702,0.0569644702,GGA+U,Pnma,A3B3C14DEF2_oP96_62_cd_3c_2c6d_a_c_d:C-Cl-H-Mn-N-O,96.0,"Invalid WP multiplicities - A3B3C14DEF2_oP96_62_2c2d_10c_8c39d_a_c_d:C-Cl-H-Mn-N-O, expected MnH86C6N(Cl5O)2 to be MnH14C3NCl3O2" +mp-1029354,MnZn2N3,-6.320688095,-0.2055235472,0.0,-0.0283854072,GGA,Cmc2_1,AB3C2_oC24_36_a_ab_b:Mn-N-Zn,12.0,AB3C2_oC24_36_a_ab_b:Mn-N-Zn +mp-726558,MnH12C2NCl3O2,-5.2341093246,-0.8480359368,0.0453907887,0.0453907887,GGA+U,C2/c,A2B3C12DEF2_mC168_15_2f_3f_12f_f_f_2f:C-Cl-H-Mn-N-O,84.0,A2B3C12DEF2_mC168_15_2f_3f_12f_f_f_2f:C-Cl-H-Mn-N-O +mp-744831,MnH12C2NCl3O2,-4.7929592946,-0.4068859068,0.4865408187,0.4865408187,GGA+U,Cmce,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O,84.0,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O +mp-1180863,MnH12C2NCl3O2,-5.2341492643,-0.8480758764,0.045350849,0.045350849,GGA+U,Cmce,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O,84.0,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O +mp-1238663,MnH12C2NCl3O2,-4.805848611,-0.4197752231,0.4736515024,0.4736515024,GGA+U,Cmce,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O,84.0,A2B3C12DEF2_oC168_64_g_fg_6g_f_d_g:C-Cl-H-Mn-N-O +mp-1200531,MnH44C12N8(ClO5)2,-5.6263936686000005,-0.5739018892000001,0.179074446,0.179074446,GGA+U,P-1,A12B2C44DE8F10_aP77_2_6i_i_22i_a_4i_5i:C-Cl-H-Mn-N-O,77.0,A12B2C44DE8F10_aP77_2_6i_i_22i_a_4i_5i:C-Cl-H-Mn-N-O +mp-1394183,Mn(ZnN)2,-5.716515393,-0.0456169206,0.173332305,0.173332305,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Mn-N-Zn,10.0,AB2C2_mC20_12_i_2i_2i:Mn-N-Zn +mp-1246028,Mn3(ZnN)8,-5.4798368668,0.0073186151,0.1947411779,0.1947411779,GGA,C2/m,A3B8C8_mC38_12_ai_4i_4i:Mn-N-Zn,19.0,A3B8C8_mC38_12_ai_4i_4i:Mn-N-Zn +mp-510620,Mn2ZnH12(NO2)4,-5.7377896396,-0.8038645980000001,0.3769679949,0.3769679949,GGA+U,F-43m,A12B2C4D8E_cF108_216_h_ac_e_2e_b:H-Mn-N-O-Zn,27.0,A12B2C4D8E_cF108_216_h_ac_e_2e_b:H-Mn-N-O-Zn +mp-1201453,MnZnH22C5N10(Cl2O3)2,-6.0104158973,-0.8748181930000001,0.0015881526,0.0015881526,GGA+U,P-1,A5B4C22DE10F6G_aP98_2_5i_4i_22i_i_10i_6i_i:C-Cl-H-Mn-N-O-Zn,98.0,A5B4C22DE10F6G_aP98_2_5i_4i_22i_i_10i_6i_i:C-Cl-H-Mn-N-O-Zn +mp-703684,MnH12N2(Cl2O)2,-5.0390695671,-1.0469151984,0.003866037,0.003866037,GGA+U,I-42m,A4B12CD2E2_tI42_121_i_ij_a_d_e:Cl-H-Mn-N-O,42.0,A4B12CD2E2_tI42_121_i_ij_a_d_e:Cl-H-Mn-N-O +mp-735514,MnH18C4N8(ClO)4,-5.9875375764,-0.8332143211,0.0224215991,0.0224215991,GGA+U,P2_1/c,A4B4C18DE8F4_mP78_14_2e_2e_9e_a_4e_2e:C-Cl-H-Mn-N-O,78.0,A4B4C18DE8F4_mP78_14_2e_2e_9e_a_4e_2e:C-Cl-H-Mn-N-O +mp-1435683,Mn2ZnN2,-7.000421474,0.2509313348,0.6334717240000001,0.6334717240000001,GGA,P-4m2,A2B2C_tP5_115_e_g_b:Mn-N-Zn,5.0,A2B2C_tP5_115_e_g_b:Mn-N-Zn +mp-1246513,Mn3Zn8N9,-5.630624398,-0.0010019439,0.1839692485,0.1839692485,GGA,P2_1/c,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Zn,80.0,A3B9C8_mP80_14_3e_9e_8e:Mn-N-Zn +mp-1210812,Mn4Zn3H10(CO8)2,-6.5695674571,-1.6564559482,0.0027435521,0.0027435521,GGA+U,C2/c,A2B10C4D16E3_mC140_15_f_5f_2f_8f_ef:C-H-Mn-O-Zn,70.0,A2B10C4D16E3_mC140_15_f_5f_2f_8f_ef:C-H-Mn-O-Zn +mp-15805,Mn3ZnN,-7.692660998,-0.2762041158,0.0,-0.0242676543,GGA,Pm-3m,A3BC_cP5_221_c_b_a:Mn-N-Zn,5.0,A3BC_cP5_221_c_b_a:Mn-N-Zn +mp-1246273,MnZn5N4,-4.8542219725,0.0264493317,0.1577492999999999,0.1577492999999999,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Mn-N-Zn,20.0,AB4C5_oP20_59_a_ef_bg:Mn-N-Zn +mp-600202,MnH10CNCl3O2,-5.2034156567,-0.9760032366,0.0309975405,0.0309975405,GGA+U,P2_1/c,AB3C10DEF2_mP72_14_e_3e_10e_e_e_2e:C-Cl-H-Mn-N-O,72.0,"Invalid WP multiplicities - AB3C10DEF2_mP72_14_e_9e_38e_e_e_4e:C-Cl-H-Mn-N-O, expected MnH38CNCl9O4 to be MnH10CNCl3O2" +mp-1222039,Mn12Zn4CN3,-7.664077012,-0.2030116014,0.022637469,0.022637469,GGA,P4/mmm,AB12C3D4_tP20_123_a_ef2gi_bg_2h:C-Mn-N-Zn,20.0,"Invalid WP multiplicities - AB12C3D4_tP20_123_a_2e2f3g4i_b2g_3h:C-Mn-N-Zn, expected Mn30Zn6CN5 to be Mn12Zn4CN3" +mp-1246108,Mn10ZnN8,-8.6492605332,-0.2507418,0.1789665033,0.1789665033,GGA,C2/m,A10B8C_mC38_12_5i_4i_a:Mn-N-Zn,19.0,A10B8C_mC38_12_5i_4i_a:Mn-N-Zn +mp-23718,Ca2MnP2(H2O5)2,-7.0857097984,-2.5047828848,0.0019329889,0.0019329889,GGA+U,P-1,A2B4CD10E2_aP19_2_i_2i_a_5i_i:Ca-H-Mn-O-P,38.0,A2B4CD10E2_aP19_2_i_2i_a_5i_i:Ca-H-Mn-O-P +mp-707875,Mn9Al2Si8(HO4)8,-7.9247950997,-2.5216140717,0.0014086986,0.0014086986,GGA+U,P-1,A2B8C9D32E8_aP59_2_i_4i_a4i_16i_4i:Al-H-Mn-O-Si,59.0,A2B8C9D32E8_aP59_2_i_4i_a4i_16i_4i:Al-H-Mn-O-Si +mp-735626,Ca2Mn3P3H6O17,-7.0365999616,-2.1273348804,0.200195429,0.1986991013,GGA+U,P2_1/c,A2B6C3D17E3_mP124_14_2e_6e_ac2e_17e_3e:Ca-H-Mn-O-P,124.0,A2B6C3D17E3_mP124_14_2e_6e_ac2e_17e_3e:Ca-H-Mn-O-P +mp-1182836,Ca2Mn3P3H6O17,-7.2367953906,-2.3275303094,0.0,-0.0014963277,GGA+U,P2_1/c,A2B6C3D17E3_mP124_14_2e_6e_ac2e_17e_3e:Ca-H-Mn-O-P,124.0,A2B6C3D17E3_mP124_14_2e_6e_ac2e_17e_3e:Ca-H-Mn-O-P +mp-745107,Ca2MnAl2Si3HO13,-7.8757595548,-3.1193959142,0.0078866114,0.0078866114,GGA+U,P2_1/m,A2B2CDE13F3_mP44_11_ac_2e_e_e_7e3f_3e:Al-Ca-H-Mn-O-Si,44.0,A2B2CDE13F3_mP44_11_ac_2e_e_e_7e3f_3e:Al-Ca-H-Mn-O-Si +mp-1233173,CaMn2P2(H2O5)2,-7.2351118905,-2.2775315342,0.0498458138,0.0498458138,GGA+U,P1,AB4C2D10E2_aP19_1_a_4a_2a_10a_2a:Ca-H-Mn-O-P,19.0,AB4C2D10E2_aP19_1_a_4a_2a_10a_2a:Ca-H-Mn-O-P +mp-1182654,CaMnAl4SiP3(HO4)5,-6.6634887637,-1.9859873782,0.767226434,0.767226434,GGA+U,C2/m,A4BC5DE20F3G_mC140_12_2j_g_3ij_i_6i7j_ij_i:Al-Ca-H-Mn-O-P-Si,70.0,A4BC5DE20F3G_mC140_12_2j_g_3ij_i_6i7j_ij_i:Al-Ca-H-Mn-O-P-Si +mp-1199709,CaMnAl4SiP3(HO4)5,-7.4182039863,-2.7407026008,0.0125112114,0.0125112114,GGA+U,C2/m,A4BC5DE20F3G_mC140_12_2j_g_3ij_i_6i7j_ij_i:Al-Ca-H-Mn-O-P-Si,70.0,A4BC5DE20F3G_mC140_12_2j_g_3ij_i_6i7j_ij_i:Al-Ca-H-Mn-O-P-Si +mp-600233,CoH14C3NCl3O2,-5.0989681809,-0.6794697964,0.0547909746,0.0547909746,GGA+U,Pnma,A3B3CD14EF2_oP96_62_cd_3c_a_2c6d_c_d:C-Cl-Co-H-N-O,96.0,"Invalid WP multiplicities - A3B3CD14EF2_oP96_62_3c4d_6c_a_7c40d_c_d:C-Cl-Co-H-N-O, expected CoH87C11N(Cl3O)2 to be CoH14C3NCl3O2" +mp-1245979,ZnCoN2,-6.1560960119,0.1041668019,0.1635264639,0.1635264639,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Co-N-Zn,16.0,AB2C_oP16_33_a_2a_a:Co-N-Zn +mp-706995,ZnCoH18N6Cl5,-4.8981261842,-0.7465525369,0.0,-0.0245914491,GGA,Pnma,A5BC18D6E_oP124_62_3cd_c_2c8d_2c2d_c:Cl-Co-H-N-Zn,124.0,A5BC18D6E_oP124_62_3cd_c_2c8d_2c2d_c:Cl-Co-H-N-Zn +mp-1200994,CoH8C2N4(ClO2)2,-5.7836549581,-0.5675947198,0.4030571949,0.4030571949,GGA+U,P2_1/c,A2B2CD8E4F4_mP42_14_e_e_a_4e_2e_2e:C-Cl-Co-H-N-O,42.0,A2B2CD8E4F4_mP42_14_e_e_a_4e_2e_2e:C-Cl-Co-H-N-O +mp-1216211,Zn3Co2(CN)12,-7.6027117683,0.2861775914,0.4006767953,0.4006767953,GGA,P-4m2,A12B2C12D3_tP29_115_2gl_g_2gl_ag:C-Co-N-Zn,29.0,"Invalid WP multiplicities - A12B2C12D3_tP29_115_4g2l_g_4g2l_ag:C-Co-N-Zn, expected Zn3Co2(CN)24 to be Zn3Co2(CN)12" +mp-542858,Zn3Co2(CN)12,-7.8596336029,0.0292557567,0.1437549606,0.1437549606,GGA,R-3c,A12B2C12D3_hR174_167_2f_c_2f_e:C-Co-N-Zn,58.0,A12B2C12D3_hR174_167_2f_c_2f_e:C-Co-N-Zn +mp-1203219,CoH12CN4ClO7,-5.6468514552,-0.7671963334,0.3220629617,0.3220629617,GGA+U,Pnma,ABCD12E4F7_oP104_62_c_c_c_2c5d_2cd_3c2d:C-Cl-Co-H-N-O,104.0,ABCD12E4F7_oP104_62_c_c_c_2c5d_2cd_3c2d:C-Cl-Co-H-N-O +mp-1202003,CoC12N8(ClO5)2,-6.8454612521,0.357818249,1.2517743423,1.2517743423,GGA+U,P-1,A12B2CD8E10_aP33_2_6i_i_a_4i_5i:C-Cl-Co-N-O,33.0,A12B2CD8E10_aP33_2_6i_i_a_4i_5i:C-Cl-Co-N-O +mp-1204050,CoC8(NCl2)2,-5.841418031,1.1589005173,1.4727915011,1.4727915011,GGA,Pnma,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Co-N,60.0,A8B4CD2_oP60_62_4c2d_2cd_c_2c:C-Cl-Co-N +mp-1195495,CoH12C2(NCl2)2,-4.9119811629,-0.6098146005,0.0268504001,0.0268504001,GGA,P2_1/c,A2B4CD12E2_mP84_14_2e_4e_e_12e_2e:C-Cl-Co-H-N,84.0,A2B4CD12E2_mP84_14_2e_4e_e_12e_2e:C-Cl-Co-H-N +mp-1182699,Co2CN9(Cl2O3)2,-5.5448867894,0.6163874976,1.3129595999,1.3129595999,GGA+U,Pnma,AB4C2D9E6_oP88_62_c_2cd_d_c4d_3d:C-Cl-Co-N-O,88.0,AB4C2D9E6_oP88_62_c_2cd_d_c4d_3d:C-Cl-Co-N-O +mp-603406,CoH21C2N6Cl2O5,-5.5604303314,-0.8236091922000001,0.0350853891,0.0350853891,GGA+U,P2_12_12_1,A2B2CD21E6F5_oP148_19_2a_2a_a_21a_6a_5a:C-Cl-Co-H-N-O,148.0,"Invalid WP multiplicities - A2B2CD21E6F5_oP148_19_5a_4a_a_77a_23a_18a:C-Cl-Co-H-N-O, expected CoH77C5N23(Cl2O9)2 to be CoH21C2N6Cl2O5" +mp-1190433,CoH5CN(ClO)2,-5.6158783294,-1.013581731,0.0128821617,0.0128821617,GGA+U,C2/c,AB2CD5EF2_mC48_15_e_f_a_e2f_e_f:C-Cl-Co-H-N-O,48.0,AB2CD5EF2_mC48_15_e_f_c_e2f_e_f:C-Cl-Co-H-N-O +mp-1430957,Zn(CoN)2,-6.092819878,0.337053932,0.4140947576,0.4140947576,GGA,P-4m2,A2B2C_tP5_115_e_g_b:Co-N-Zn,5.0,A2B2C_tP5_115_e_g_b:Co-N-Zn +mp-1204043,CoH18CN6ClO3,-5.5369051288,-0.7331176475000001,0.0,-0.0112994667,GGA+U,P2_13,ABCD18E6F3_cP120_198_a_a_a_6b_2b_b:C-Cl-Co-H-N-O,120.0,ABCD18E6F3_cP120_198_a_a_a_6b_2b_b:C-Cl-Co-H-N-O +mp-709540,CoH4C4(NCl2)2,-4.850731143,0.593336886,1.1535513951,1.1535513951,GGA,P2_1/c,A4B4CD4E2_mP60_14_4e_4e_e_4e_2e:C-Cl-Co-H-N,60.0,A4B4CD4E2_mP60_14_4e_4e_e_4e_2e:C-Cl-Co-H-N +mp-1247475,Zn5CoN4,-4.5453843775,0.129917177,0.1895303091,0.1895303091,GGA,Pmmn,AB4C5_oP20_59_a_ef_bg:Co-N-Zn,20.0,AB4C5_oP20_59_a_ef_bg:Co-N-Zn +mp-10271,ZnCo3C,-6.379973716,-0.0173012185,0.0060067053,0.0060067053,GGA,Pm-3m,AB3C_cP5_221_b_c_a:C-Co-Zn,5.0,AB3C_cP5_221_b_c_a:C-Co-Zn +mp-1399347,Zn2CoN2,-5.168009685,0.092149288,0.1575716513,0.1575716513,GGA,C2/m,AB2C2_mC20_12_i_2i_2i:Co-N-Zn,10.0,AB2C2_mC20_12_i_2i_2i:Co-N-Zn +mp-1201753,ZnCoH22C5N10(Cl2O3)2,-5.932748314,-0.8390628035000001,0.0104856865,0.0104856865,GGA+U,P-1,A5B4CD22E10F6G_aP98_2_5i_4i_i_22i_10i_6i_i:C-Cl-Co-H-N-O-Zn,98.0,A5B4CD22E10F6G_aP98_2_5i_4i_i_22i_10i_6i_i:C-Cl-Co-H-N-O-Zn +mp-568314,CoH16C4(NCl2)2,-5.0232981631,-0.4909376825,0.0513534105,0.0513534105,GGA,P2_1/c,A4B4CD16E2_mP108_14_4e_4e_e_16e_2e:C-Cl-Co-H-N,108.0,"Invalid WP multiplicities - A4B4CD16E2_mP108_14_13e_10e_e_61e_6e:C-Cl-Co-H-N, expected CoH61C13(N3Cl5)2 to be CoH16C4(NCl2)2" +mp-1181833,CoC(N3Cl)2,-5.621311639,1.3839909768,1.6785301872,1.6785301872,GGA,Cmcm,AB2CD6_oC40_63_c_e_c_2cfg:C-Cl-Co-N,20.0,AB2CD6_oC40_63_c_e_c_2cfg:C-Cl-Co-N +mp-1203919,CoC4(NCl2)2,-5.9205196484,0.2694909202,0.6975240799,0.6975240799,GGA,P2_1/c,A4B4CD2_mP44_14_4e_4e_e_2e:C-Cl-Co-N,44.0,A4B4CD2_mP44_14_4e_4e_e_2e:C-Cl-Co-N +mp-728733,CoH18C4N8(ClO)4,-5.8946403031,-0.7929759579000001,0.0198699476,0.0198699476,GGA+U,P2_1/c,A4B4CD18E8F4_mP78_14_2e_2e_a_9e_4e_2e:C-Cl-Co-H-N-O,78.0,A4B4CD18E8F4_mP78_14_2e_2e_a_9e_4e_2e:C-Cl-Co-H-N-O +mp-1197397,CoH14C2N10(ClO3)2,-6.0286564574,-0.6056287932000001,0.2448642043,0.2448642043,GGA+U,P2_1/c,A2B2CD14E10F6_mP70_14_e_e_a_7e_5e_3e:C-Cl-Co-H-N-O,70.0,A2B2CD14E10F6_mP70_14_e_e_a_7e_5e_3e:C-Cl-Co-H-N-O +mp-1096963,CuH6CI3N,-4.2542495031,-0.3841809692,0.0618201083,0.0618201083,GGA,Pnma,ABC6D3E_oP48_62_c_a_2c2d_cd_c:C-Cu-H-I-N,48.0,ABC6D3E_oP48_62_c_a_2c2d_cd_c:C-Cu-H-I-N +mp-1197496,Cu2I4N2O,-3.6848286042,0.2831222071,0.6587643729,0.6587643729,GGA,P2_12_12_1,A2B4C2D_oP36_19_2a_4a_2a_a:Cu-I-N-O,36.0,A2B4C2D_oP36_19_2a_4a_2a_a:Cu-I-N-O +mp-542554,Cu3As4H18C8I3(NO2)2,-5.3129902339,-0.3912680881,0.1743091502,0.1743091502,GGA,C2/c,A4B8C3D18E3F2G4_mC168_15_2f_4f_ef_9f_ef_f_2f:As-C-Cu-H-I-N-O,84.0,A4B8C3D18E3F2G4_mC168_15_2f_4f_ef_9f_ef_f_2f:As-C-Cu-H-I-N-O +mp-634716,CuH12(IN)4,-4.4946447433,-0.4921988238,0.0501920353,0.0501920353,GGA,C2/m,AB12C4D4_mC42_12_a_3j_2i_j:Cu-H-I-N,21.0,AB12C4D4_mC42_12_a_3j_2i_j:Cu-H-I-N +mp-1095503,As4INO6,-5.6851575875,-0.841285324,0.5472959387,0.5472959387,GGA,P6/mmm,A4BCD6_hP12_191_h_a_b_i:As-I-N-O,12.0,A4BCD6_hP12_191_h_a_b_i:As-I-N-O +mp-554876,AsCS2N2OF5,-5.8237569821,-1.3789438962,0.1895962078,0.1895962078,GGA,P2_1/c,ABC5D2EF2_mP48_14_e_e_5e_2e_e_2e:As-C-F-N-O-S,48.0,"Invalid WP multiplicities - ABC5D2EF2_mP48_14_e_e_16e_6e_e_6e:As-C-F-N-O-S, expected AsCS6N6OF16 to be AsCS2N2OF5" +mp-1247925,AsCS2NOF8,-5.2703239314,-1.6463454309,0.2497916427,0.2497916427,GGA,P2_1,ABC8DEF2_mP56_4_2a_2a_16a_2a_2a_4a:As-C-F-N-O-S,56.0,"Invalid WP multiplicities - ABC8DEF2_mP56_4_4a_4a_32a_4a_4a_7a:As-C-F-N-O-S, expected As4C4S7N4(OF8)4 to be AsCS2NOF8" +mp-559097,NiAs2S6(OF)12,-5.6487145106,-1.9452270913,0.0200218748,0.0200218748,GGA+U,P2_1/c,A2B12CD12E6_mP66_14_e_6e_a_6e_3e:As-F-Ni-O-S,66.0,"Invalid WP multiplicities - A2B12CD12E6_mP66_14_e_20e_a_21e_8e:As-F-Ni-O-S, expected NiAs2S16(O21F20)2 to be NiAs2S6(OF)12" +mp-560084,NiAs2S6N4(OF2)8,-5.4969507596,-1.6207284471,0.1949766715,0.1949766715,GGA+U,P2_1/c,A2B16C4DE8F6_mP148_14_2e_16e_4e_e_8e_6e:As-F-N-Ni-O-S,148.0,"Invalid WP multiplicities - A2B16C4DE8F6_mP148_14_6e_64e_12e_e_29e_17e:As-F-N-Ni-O-S, expected NiAs6S17N12O29F64 to be NiAs2S6N4(OF2)8" +mp-1201562,NiC14S2N2O3,-7.2854572591,0.6585158906,1.1037363471,1.1037363471,GGA+U,P2_1/c,A14B2CD3E2_mP88_14_14e_2e_e_3e_2e:C-N-Ni-O-S,88.0,A14B2CD3E2_mP88_14_14e_2e_e_3e_2e:C-N-Ni-O-S +mp-1211733,NiAs3NF18,-4.6906291021,-1.9732113527,0.2354690908,0.2354690908,GGA+U,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-N-Ni,92.0,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-N-Ni +mp-1193000,NiC4S4(NO6)2,-6.1909997239,-0.309527876,1.1074291041,1.1074291041,GGA+U,P-1,A4B2CD12E4_aP23_2_2i_i_a_6i_2i:C-N-Ni-O-S,23.0,A4B2CD12E4_aP23_2_2i_i_a_6i_2i:C-N-Ni-O-S +mp-1377654,NiC4S4(NO6)2,-3.9057796874,1.9756921605,3.3926491407,3.3926491407,GGA+U,P-1,A4B2CD12E4_aP23_2_2i_i_a_6i_2i:C-N-Ni-O-S,23.0,A4B2CD12E4_aP23_2_2i_i_a_6i_2i:C-N-Ni-O-S +mp-558687,AsC2S2(OF3)3,-5.4416201668,-1.7102833453,0.3132138727,0.3132138727,GGA,Pnma,AB2C9D3E2_oP68_62_c_d_c4d_3c_2c:As-C-F-O-S,68.0,"Invalid WP multiplicities - AB2C9D3E2_oP68_62_c_d_3c25d_8c_4c:As-C-F-O-S, expected AsC2S4O8F53 to be AsC2S2(OF3)3" +mp-558770,NiAs2S6(NF3)6,-5.1935214905,-1.4255619857,0.2071649268,0.2071649268,GGA+U,P2_1/c,A2B18C6DE6_mP66_14_e_9e_3e_a_3e:As-F-N-Ni-S,66.0,"Invalid WP multiplicities - A2B18C6DE6_mP66_14_e_34e_11e_a_10e:As-F-N-Ni-S, expected NiAs2S20(N11F34)2 to be NiAs2S6(NF3)6" +mp-1200704,H14C5SN3ClO2,-5.6113453484,-0.4371399324,0.1893886329,0.1893886329,GGA,Pbcn,A5BC14D3E2F_oP208_60_5d_d_14d_3d_2d_d:C-Cl-H-N-O-S,208.0,A5BC14D3E2F_oP208_60_5d_d_14d_3d_2d_d:C-Cl-H-N-O-S +mp-1204138,Ru2C2N8Cl3O5,-7.0744318035,-0.3755743534,0.4659422644,0.4659422644,GGA,Pnn2,A2B3C8D5E2_oP40_34_c_ac_4c_a2c_c:C-Cl-N-O-Ru,40.0,A2B3C8D5E2_oP40_34_c_ac_4c_a2c_c:C-Cl-N-O-Ru +mp-1201712,H7C2S2N4ClO3,-5.9139635962,-0.6237585684,0.2180108029,0.2180108029,GGA,P2_12_12_1,A2BC7D4E3F2_oP76_19_2a_a_7a_4a_3a_2a:C-Cl-H-N-O-S,76.0,A2BC7D4E3F2_oP76_19_2a_a_7a_4a_3a_2a:C-Cl-H-N-O-S +mp-706304,H18RuC6S3N3ClO3,-5.4726532791,-0.3348560941,0.3349266651,0.3349266651,GGA,P2_1/c,A6BC18D3E3FG3_mP140_14_6e_e_18e_3e_3e_e_3e:C-Cl-H-N-O-Ru-S,140.0,A6BC18D3E3FG3_mP140_14_6e_e_18e_3e_3e_e_3e:C-Cl-H-N-O-Ru-S +mp-735424,Ru2C7S10N10(Cl4O3)2,-6.2009736171,-0.3324308963,0.375608091,0.375608091,GGA,C2/c,A7B8C10D6E2F10_mC172_15_e3f_4f_5f_3f_f_5f:C-Cl-N-O-Ru-S,86.0,A7B8C10D6E2F10_mC172_15_e3f_4f_5f_3f_f_5f:C-Cl-N-O-Ru-S +mp-571170,H32RuC8N4Cl7,-5.0287985938,-0.4527082815,0.0744732268,0.0744732268,GGA,P2_12_12,A8B7C32D4E_oP104_18_4c_a3c_16c_2c_b:C-Cl-H-N-Ru,104.0,"Invalid WP multiplicities - A8B7C32D4E_oP104_18_11c_a10c_61c_3c_b:C-Cl-H-N-Ru, expected H122RuC22(N2Cl7)3 to be H32RuC8N4Cl7" +mp-1204771,H13RuC5SN2(ClO)3,-5.5523246082,-0.5266715933,0.2863160699,0.2863160699,GGA,P-1,A5B3C13D2E3FG_aP56_2_5i_3i_13i_2i_3i_i_i:C-Cl-H-N-O-Ru-S,56.0,A5B3C13D2E3FG_aP56_2_5i_3i_13i_2i_3i_i_i:C-Cl-H-N-O-Ru-S +mp-773113,H12RuSN4(ClO)2,-5.3636275653,-0.7699914113,0.0560380303,0.0560380303,GGA,Pnma,A2B12C4D2EF_oP88_62_2c_6d_2d_2c_c_c:Cl-H-N-O-Ru-S,88.0,"Invalid WP multiplicities - A2B12C4D2EF_oP88_62_5c_21d_5d_5c_c_c:Cl-H-N-O-Ru-S, expected H42RuSN10(ClO)5 to be H12RuSN4(ClO)2" +mp-1204845,H7C2SN4ClO4,-5.8020941787,-0.4692450012,0.4773686684,0.4773686684,GGA,P-1,A2BC7D4E4F_aP38_2_2i_i_7i_4i_4i_i:C-Cl-H-N-O-S,38.0,A2BC7D4E4F_aP38_2_2i_i_7i_4i_4i_i:C-Cl-H-N-O-S +mp-1198427,RuSN4(ClO)2,-5.5862936483,0.4484346367,1.2048745506,1.2048745506,GGA,Pnma,A2B4C2DE_oP40_62_2c_2d_2c_c_c:Cl-N-O-Ru-S,40.0,A2B4C2DE_oP40_62_2c_2d_2c_c_c:Cl-N-O-Ru-S +mp-600228,H8RuC5N(ClO)3,-6.029491027,-0.7303620079,0.107948229,0.107948229,GGA,P2_1/c,A5B3C8DE3F_mP84_14_5e_3e_8e_e_3e_e:C-Cl-H-N-O-Ru,84.0,"Invalid WP multiplicities - A5B3C8DE3F_mP84_14_19e_12e_30e_e_9e_e:C-Cl-H-N-O-Ru, expected H30RuC19N(Cl4O3)3 to be H8RuC5N(ClO)3" +mp-698381,H12RuC4S2N2Cl2O5,-5.5217603942,-0.5118252688,0.4691333236,0.4691333236,GGA,P2_1/c,A4B2C12D2E5FG2_mP112_14_4e_2e_12e_2e_5e_e_2e:C-Cl-H-N-O-Ru-S,112.0,A4B2C12D2E5FG2_mP112_14_4e_2e_12e_2e_5e_e_2e:C-Cl-H-N-O-Ru-S +mp-707816,H5CSN2ClO4,-5.3945340814,-0.4918893,0.6175657831,0.6175657831,GGA,P-1,ABC5D2E4F_aP28_2_i_i_5i_2i_4i_i:C-Cl-H-N-O-S,28.0,ABC5D2E4F_aP28_2_i_i_5i_2i_4i_i:C-Cl-H-N-O-S +mp-738597,H24RuC7S3NCl3O4,-5.139599854,-0.4563743792,0.241277956,0.241277956,GGA,P2_1/c,A7B3C24DE4FG3_mP172_14_7e_3e_24e_e_4e_e_3e:C-Cl-H-N-O-Ru-S,172.0,A7B3C24DE4FG3_mP172_14_7e_3e_24e_e_4e_e_3e:C-Cl-H-N-O-Ru-S +mp-711343,H2RuC8S3N(ClO)3,-5.6553756875,0.5837052272000001,1.3185669825,1.3185669825,GGA,Pna2_1,A8B3C2DE3FG3_oP168_33_16a_6a_4a_2a_6a_2a_6a:C-Cl-H-N-O-Ru-S,168.0,A8B3C2DE3FG3_oP168_33_16a_6a_4a_2a_6a_2a_6a:C-Cl-H-N-O-Ru-S +mp-1204316,H12RuC4S2N(ClO)3,-5.2724015964,-0.5071382187,0.3591981486,0.3591981486,GGA,P2_1/c,A4B3C12DE3FG2_mP104_14_4e_3e_12e_e_3e_e_2e:C-Cl-H-N-O-Ru-S,104.0,A4B3C12DE3FG2_mP104_14_4e_3e_12e_e_3e_e_2e:C-Cl-H-N-O-Ru-S +mp-1204531,H23RuS2N5ClO12,-5.4996422938,-0.9889314499,0.1273285189,0.1273285189,GGA,P-1,AB23C5D12EF2_aP88_2_i_23i_5i_12i_i_2i:Cl-H-N-O-Ru-S,88.0,AB23C5D12EF2_aP88_2_i_23i_5i_12i_i_2i:Cl-H-N-O-Ru-S +mp-558736,H3CSN(ClO)2,-5.0448191263,-0.4977952101,0.5059712915,0.5059712915,GGA,Pnma,AB2C3DE2F_oP40_62_c_d_cd_c_d_c:C-Cl-H-N-O-S,40.0,"Invalid WP multiplicities - AB2C3DE2F_oP40_62_c_d_3c4d_c_d_c:C-Cl-H-N-O-S, expected H11CSN(ClO)2 to be H3CSN(ClO)2" +mp-1204839,H6C3S3NCl3O5,-5.3837844462,-0.6662963124,0.4015121812,0.4015121812,GGA,P2_1/c,A3B3C6DE5F3_mP84_14_3e_3e_6e_e_5e_3e:C-Cl-H-N-O-S,84.0,A3B3C6DE5F3_mP84_14_3e_3e_6e_e_5e_3e:C-Cl-H-N-O-S +mp-1202744,H9C3S2N2ClO4,-5.5711343923,-0.5805766793,0.3567727403,0.3567727403,GGA,P-1,A3BC9D2E4F2_aP84_2_6i_2i_18i_4i_8i_4i:C-Cl-H-N-O-S,84.0,A3BC9D2E4F2_aP84_2_6i_2i_18i_4i_8i_4i:C-Cl-H-N-O-S +mp-1219814,Re3PbS6,-7.3867422003,-0.8002494176,0.0346631617,0.0346631617,GGA,Cc,AB3C6_mC80_9_2a_6a_12a:Pb-Re-S,40.0,"Invalid WP multiplicities - AB3C6_mC80_9_2a_9a_18a:Pb-Re-S, expected Re9(PbS9)2 to be Re3PbS6" +mp-557822,H12PbC4S4(NO4)2,-5.696673166,-0.7246628245000001,0.3250132665,0.3250132665,GGA,P2_1/c,A4B12C2D8EF4_mP124_14_4e_12e_2e_8e_e_4e:C-H-N-O-Pb-S,124.0,"Invalid WP multiplicities - A4B12C2D8EF4_mP124_14_15e_46e_6e_28e_e_13e:C-H-N-O-Pb-S, expected H46PbC15S13(N3O14)2 to be H12PbC4S4(NO4)2" +mp-1203823,ReH3CSO6,-6.794180057,-1.3218506447,0.2607594614,0.2607594614,GGA,P-1,AB3C6DE_aP96_2_4i_12i_bd23i_4i_4i:C-H-O-Re-S,96.0,AB3C6DE_aP96_2_4i_12i_bd23i_4i_4i:C-H-O-Re-S +mp-1247324,Re2Pb3N4,-7.4937431678,0.2143651967,0.2740400174,0.2740400174,GGA,Pnna,A4B3C2_oP36_52_2e_ce_cd:N-Pb-Re,36.0,A4B3C2_oP36_52_2e_ce_cd:N-Pb-Re +mp-1200727,H19PbC15S2N3O5,-6.2330670032,-0.3526169504,0.2369273434,0.2369273434,GGA,P-1,A15B19C3D5EF2_aP90_2_15i_19i_3i_5i_i_2i:C-H-N-O-Pb-S,90.0,A15B19C3D5EF2_aP90_2_15i_19i_3i_5i_i_2i:C-H-N-O-Pb-S +mp-774283,Re2H6PbC(NO5)2,-7.0892781134,-1.438069015,0.0758043224,0.0758043224,GGA,P2_1/c,AB6C2D10EF2_mP88_14_e_6e_2e_10e_e_2e:C-H-N-O-Pb-Re,88.0,"Invalid WP multiplicities - AB6C2D10EF2_mP88_14_e_23e_7e_39e_e_3e:C-H-N-O-Pb-Re, expected Re3H23PbCN7O39 to be Re2H6PbC(NO5)2" +mp-720266,Re2H6PbC(NO5)2,-7.1356224247,-1.4844133262,0.0294600112,0.0294600112,GGA,P2_1/c,AB6C2D10EF2_mP88_14_e_6e_2e_10e_e_2e:C-H-N-O-Pb-Re,88.0,AB6C2D10EF2_mP88_14_e_6e_2e_10e_e_2e:C-H-N-O-Pb-Re +mp-643306,HPbCSNO,-6.2980022708,-0.6723902524,0.2087357536,0.2087357536,GGA,Pnma,ABCDEF_oP24_62_c_c_c_c_c_c:C-H-N-O-Pb-S,24.0,ABCDEF_oP24_62_c_c_c_c_c_c:C-H-N-O-Pb-S +mp-559034,H18PbC6S4N2O9,-5.6141237331,-0.6668063193,0.2970400983,0.2970400983,GGA,P-1,A6B18C2D9EF4_aP80_2_6i_18i_2i_9i_i_4i:C-H-N-O-Pb-S,80.0,"Invalid WP multiplicities - A6B18C2D9EF4_aP80_2_11i_34i_2i_17i_i_8i:C-H-N-O-Pb-S, expected H34PbC11S8N2O17 to be H18PbC6S4N2O9" +mp-1247434,Re(PbN)3,-6.6840457193,0.2576618764,0.2960242612,0.2960242612,GGA,P2_1/m,A3B3C_mP14_11_3e_3e_e:N-Pb-Re,14.0,"Invalid WP multiplicities - A3B3C_mP14_11_6e_6e_e:N-Pb-Re, expected Re(PbN)6 to be Re(PbN)3" +mp-1211989,Re2PbC(NO5)2,-7.4747713853,-0.9766311419,0.8052569572,0.8052569572,GGA,P2_1/c,AB2C10DE2_mP64_14_e_2e_10e_e_2e:C-N-O-Pb-Re,64.0,AB2C10DE2_mP64_14_e_2e_10e_e_2e:C-N-O-Pb-Re +mp-1209809,Re3(PbS3)2,-7.0032179039,-0.6779838224,0.1003942484,0.1003942484,GGA,C2/c,A2B3C6_mC88_15_2ef_3f_6f:Pb-Re-S,44.0,A2B3C6_mC88_15_2ef_3f_6f:Pb-Re-S +mp-707491,Re6H12Pb3C2S2(N2O13)2,-7.2546820006,-1.5236286593,0.0528369587,0.0528369587,GGA,P-42_1m,A2B12C4D26E3F6G2_tP110_113_e_3f_f_3e5f_ae_ef_e:C-H-N-O-Pb-Re-S,110.0,A2B12C4D26E3F6G2_tP110_113_e_3f_f_3e5f_ae_ef_e:C-H-N-O-Pb-Re-S +mp-1210434,Re6Pb3C2S2(N2O13)2,-7.5829725588,-1.1993627628,0.5835738295,0.5835738295,GGA,P-42_1m,A2B4C26D3E6F2_tP86_113_e_f_3e5f_ae_ef_e:C-N-O-Pb-Re-S,86.0,A2B4C26D3E6F2_tP86_113_e_f_3e5f_ae_ef_e:C-N-O-Pb-Re-S +mp-1246364,Re3Pb3N5,-8.0203739459,0.1754439986,0.2486812786,0.2486812786,GGA,P-1,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Re,22.0,A5B3C3_aP22_2_5i_3i_3i:N-Pb-Re +mp-601924,BiH24C6(I2N)3,-4.7316651669,-0.3694754159,0.0699745674,0.0699745674,GGA,R-3,AB6C24D6E3_hR480_148_ae_4f_16f_4f_2f:Bi-C-H-I-N,160.0,"Invalid WP multiplicities - AB6C24D6E3_hR480_148_a2e_18f_90f_22f_4f:Bi-C-H-I-N, expected Bi7H540C108(I11N2)12 to be BiH24C6(I2N)3" +mp-738637,Na3Bi2H42C18I9(N2O3)3,-5.1741131781,-0.3644672007,0.3604295035,0.3604295035,GGA,P-1,A2B18C42D9E6F3G9_aP178_2_2i_18i_42i_9i_6i_bc2i_9i:Bi-C-H-I-N-Na-O,178.0,A2B18C42D9E6F3G9_aP178_2_2i_18i_42i_9i_6i_bc2i_9i:Bi-C-H-I-N-Na-O +mp-1050641,Na3Bi2H42C18I9(N2O3)3,-5.1916926456,-0.3820466681,0.3428500361,0.3428500361,GGA,P-1,A2B18C42D9E6F3G9_aP178_2_2i_18i_42i_9i_6i_bc2i_9i:Bi-C-H-I-N-Na-O,178.0,A2B18C42D9E6F3G9_aP178_2_2i_18i_42i_9i_6i_bc2i_9i:Bi-C-H-I-N-Na-O +mp-1190848,NaH4C2I(NO)2,-5.7578904033,-0.6420158966,0.3215579016,0.3215579016,GGA,P2_1/c,A2B4CD2EF2_mP24_14_e_2e_a_e_b_e:C-H-I-N-Na-O,24.0,A2B4CD2EF2_mP24_14_e_2e_a_e_b_e:C-H-I-N-Na-O +mp-1245776,Na3BiN2,-3.9069088565,0.1732669536,0.5432959285,0.5432959285,GGA,Ia-3,AB2C3_cI96_206_c_ad_e:Bi-N-Na,48.0,AB2C3_cI96_206_c_ad_e:Bi-N-Na +mp-720100,NaH18C9I(NO)3,-5.3383126377,-0.0019554722,0.5874953608,0.5874953608,GGA,P1,A9B18CD3EF3_aP70_1_18a_36a_2a_6a_2a_6a:C-H-I-N-Na-O,70.0,A9B18CD3EF3_aP70_1_18a_36a_2a_6a_2a_6a:C-H-I-N-Na-O +mp-1016214,Bi2H18C3(IN)9,-5.0497991779,-0.5443163725,0.0,-0.0107270335,GGA,Cmcm,A2B3C18D9E9_oC164_63_f_cf_3g3h_cfgh_cfgh:Bi-C-H-I-N,82.0,A2B3C18D9E9_oC164_63_f_cf_3g3h_cfgh_cfgh:Bi-C-H-I-N +mp-1202144,Na3BiH8O7,-5.1381292924,-1.4761980108,0.00600446,0.00600446,GGA,P-1,AB8C3D7_aP38_2_i_8i_3i_7i:Bi-H-Na-O,38.0,AB8C3D7_aP38_2_i_8i_3i_7i:Bi-H-Na-O +mp-1220823,NaBi3(IO2)2,-5.137671399,-1.5799233762,0.0,-0.0298228966,GGA,Amm2,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-I-Na-O,10.0,A3B2CD4_oC20_38_a2b_ab_a_f:Bi-I-Na-O +mp-1199737,K6Al4Si6BH4ClO24,-7.1083767011,-2.8688991606,0.0042059768,0.0042059768,GGA,P-42_1c,A4BCD4E6F24G6_tP92_114_e_a_b_e_ce_6e_de:Al-B-Cl-H-K-O-Si,92.0,A4BCD4E6F24G6_tP92_114_e_a_b_e_ce_6e_de:Al-B-Cl-H-K-O-Si +mp-1195284,KAl(BH4)4,-4.22075355,-0.3181554327,0.0,-0.0219562836,GGA,Fddd,AB4C16D_oF176_70_a_h_4h_b:Al-B-H-K,44.0,AB4C16D_oF176_70_a_h_4h_b:Al-B-H-K +mp-557379,P2H6C4N2Cl2O,-5.8718628222,-0.376899579,0.3071728665,0.3071728665,GGA,P-1,A4B2C6D2EF2_aP68_2_8i_4i_12i_4i_2i_4i:C-Cl-H-N-O-P,68.0,"Invalid WP multiplicities - A4B2C6D2EF2_aP68_2_16i_7i_22i_8i_4i_7i:C-Cl-H-N-O-P, expected P7H22C16N8Cl7O4 to be P2H6C4N2Cl2O" +mp-605047,P2H6C5N2Cl4O,-5.6521387191,-0.3351330218,0.4011873503,0.4011873503,GGA,P2_1/c,A5B4C6D2EF2_mP80_14_5e_4e_6e_2e_e_2e:C-Cl-H-N-O-P,80.0,A5B4C6D2EF2_mP80_14_5e_4e_6e_2e_e_2e:C-Cl-H-N-O-P +mp-1225035,LaP2H44C14N7(Cl2O)2,-5.469116474,-0.4706453452,0.1071369337,0.1071369337,GGA,Cc,A14B4C44DE7F2G2_mC296_9_14a_4a_44a_a_7a_2a_2a:C-Cl-H-La-N-O-P,148.0,"Invalid WP multiplicities - A14B4C44DE7F2G2_mC296_9_21a_6a_65a_a_10a_3a_3a:C-Cl-H-La-N-O-P, expected LaP3H65C21N10(Cl2O)3 to be LaP2H44C14N7(Cl2O)2" +mp-600190,LaH24C3N3(Cl2O)3,-5.0498260039,-0.9251210156,0.0409859115,0.0409859115,GGA,Pnma,A3B6C24DE3F3_oP160_62_3c_3d_6c9d_c_3c_3c:C-Cl-H-La-N-O,160.0,"Invalid WP multiplicities - A3B6C24DE3F3_oP160_62_8c_16d_22c62d_c_8c_9c:C-Cl-H-La-N-O, expected LaH146C8N8Cl32O9 to be LaH24C3N3(Cl2O)3" +mp-1198888,LaH16C4Cl3O4,-5.2651153192,-0.9270206542,0.1228853737,0.1228853737,GGA,P2_1/c,A4B3C16DE4_mP112_14_4e_3e_16e_e_4e:C-Cl-H-La-O,112.0,A4B3C16DE4_mP112_14_4e_3e_16e_e_4e:C-Cl-H-La-O +mp-1212771,LaH23C4N6(Cl2O5)2,-5.8678679408,-1.1436310364,0.0394851947,0.0394851947,GGA,Cmc2_1,A4B4C23DE6F10_oC192_36_2b_2b_a11b_a_3b_4a3b:C-Cl-H-La-N-O,,A4B4C23DE6F10_oC192_36_2b_2b_a11b_a_3b_4a3b:C-Cl-H-La-N-O +mp-1204443,PH18PtC6S3BrF6,-5.086454851,-0.8265451474000001,0.0,-0.0020361485,GGA,P2_1/c,AB6C6D18EFG3_mP144_14_e_6e_6e_18e_e_e_3e:Br-C-F-H-P-Pt-S,144.0,AB6C6D18EFG3_mP144_14_e_6e_6e_18e_e_e_3e:Br-C-F-H-P-Pt-S +mp-642795,PHSF2,-4.9833017955,-1.6302145248,0.0,-0.0198053472,GGA,P2_1/c,A2BCD_mP20_14_2e_e_e_e:F-H-P-S,20.0,A2BCD_mP20_14_2e_e_e_e:F-H-P-S +mp-1228916,Ca4AlSiH24SO16F13,-5.6500012902,-2.2041443854,0.0209387352,0.0209387352,GGA,C2/c,AB4C13D24E16FG_mC240_15_a_2f_e6f_12f_8f_e_c:Al-Ca-F-H-O-S-Si,120.0,"Invalid WP multiplicities - AB4C13D24E16FG_mC240_15_a_4f_e18f_36f_22f_e_c:Al-Ca-F-H-O-S-Si, expected Ca8AlSiH72SO44F37 to be Ca4AlSiH24SO16F13" +mp-709326,Zn3P3H10C2NO13,-5.9421167927,-1.4093924816,0.2497675021,0.2497675021,GGA,P2_1/c,A2B10CD13E3F3_mP128_14_2e_10e_e_13e_3e_3e:C-H-N-O-P-Zn,128.0,A2B10CD13E3F3_mP128_14_2e_10e_e_13e_3e_3e:C-H-N-O-P-Zn +mp-23838,Zn2PH2CO7,-6.4203756969,-1.9147042902,0.0210380495,0.0210380495,GGA,P2_1/c,AB2C7DE2_mP52_14_e_2e_7e_e_2e:C-H-O-P-Zn,52.0,"Invalid WP multiplicities - AB2C7DE2_mP52_14_e_2e_11e_e_2e:C-H-O-P-Zn, expected Zn2PH2CO11 to be Zn2PH2CO7" +mp-707953,ZnP2H11C2NO8,-5.9517204693,-1.3207736406,0.0552291185,0.0552291185,GGA,Cc,A2B11CD8E2F_mC200_9_4a_22a_2a_16a_4a_2a:C-H-N-O-P-Zn,100.0,"Invalid WP multiplicities - A2B11CD8E2F_mC200_9_6a_43a_2a_32a_4a_2a:C-H-N-O-P-Zn, expected Zn2P4H43C6(NO16)2 to be ZnP2H11C2NO8" +mp-1199092,ZnPH5CNClO3,-5.677999691,-1.2248889561,0.0499077703,0.0499077703,GGA,P2_1/c,ABC5DE3FG_mP52_14_e_e_5e_e_3e_e_e:C-Cl-H-N-O-P-Zn,52.0,ABC5DE3FG_mP52_14_e_e_5e_e_3e_e_e:C-Cl-H-N-O-P-Zn +mp-1178650,ZnP2C4NO8,-6.56942954,-0.5124910895,1.2197450017,1.2197450017,GGA,Fdd2,A4BC8D2E_oF128_43_2b_a_4b_b_a:C-N-O-P-Zn,32.0,A4BC8D2E_oF128_43_2b_a_4b_b_a:C-N-O-P-Zn +mp-1215763,Zn3P6N12Cl,-6.9149372091,-0.6355953168,0.0,-0.039350817,GGA,R3m,AB12C6D3_hR66_160_a_2bc_c_b:Cl-N-P-Zn,22.0,"Invalid WP multiplicities - AB12C6D3_hR66_160_a_4b3c_c_b:Cl-N-P-Zn, expected Zn3P6N30Cl to be Zn3P6N12Cl" +mp-1200588,Zn3P4H24C6(NO6)2,-5.6750162429,-1.0031904924,0.096249697,0.096249697,GGA,C2/c,A6B24C2D12E4F3_mC204_15_3f_12f_f_6f_2f_ef:C-H-N-O-P-Zn,102.0,A6B24C2D12E4F3_mC204_15_3f_12f_f_6f_2f_ef:C-H-N-O-P-Zn +mp-1207595,ZnP2H13C2(N3O4)2,-6.2609494994,-1.1283995796,0.0711088275,0.0711088275,GGA,Pna2_1,A2B13C6D8E2F_oP128_33_2a_13a_6a_8a_2a_a:C-H-N-O-P-Zn,128.0,A2B13C6D8E2F_oP128_33_2a_13a_6a_8a_2a_a:C-H-N-O-P-Zn +mp-699466,ZnPH7C2N4O5,-6.4895826962,-1.1416385626,0.0184193546,0.0184193546,GGA,P2_1/c,A2B7C4D5EF_mP80_14_2e_7e_4e_5e_e_e:C-H-N-O-P-Zn,80.0,A2B7C4D5EF_mP80_14_2e_7e_4e_5e_e_e:C-H-N-O-P-Zn +mp-766204,ZnPH5C2N4O3,-6.6042505613,-0.9617472387,0.0279145666,0.0279145666,GGA,P2_1/c,A2B5C4D3EF_mP64_14_2e_5e_4e_3e_e_e:C-H-N-O-P-Zn,64.0,"Invalid WP multiplicities - A2B5C4D3EF_mP64_14_7e_17e_13e_11e_e_e:C-H-N-O-P-Zn, expected ZnPH17C7N13O11 to be ZnPH5C2N4O3" +mp-766269,ZnPH5C2N4O3,-6.5975106405,-0.9550073179,0.0346544874,0.0346544874,GGA,C2/c,A2B5C4D3EF_mC128_15_2f_5f_4f_3f_f_f:C-H-N-O-P-Zn,64.0,"Invalid WP multiplicities - A2B5C4D3EF_mC128_15_3f_19f_13f_11f_f_f:C-H-N-O-P-Zn, expected ZnPH19C3N13O11 to be ZnPH5C2N4O3" +mp-1199010,ZnP2H3C4NO8,-6.4531339871,-0.8168606532,0.7759792087,0.7759792087,GGA,Fdd2,A4B3CD8E2F_oF152_43_2b_ab_a_4b_b_a:C-H-N-O-P-Zn,38.0,A4B3CD8E2F_oF152_43_2b_ab_a_4b_b_a:C-H-N-O-P-Zn +mp-757310,ZnP2H14C2(NO)6,-6.0911120929,-1.0026944782,0.0503291417,0.0503291417,GGA,Fdd2,A2B14C6D6E2F_oF248_43_b_7b_3b_3b_b_a:C-H-N-O-P-Zn,62.0,"Invalid WP multiplicities - A2B14C6D6E2F_oF248_43_b_22b_9b_10b_b_a:C-H-N-O-P-Zn, expected ZnP2H44C2(N9O10)2 to be ZnP2H14C2(NO)6" +mp-1201966,Zn3P4H20C4(NO6)2,-5.7351667357,-1.1521694443,0.0655984482,0.0655984482,GGA,C2/c,A4B20C2D12E4F3_mC180_15_2f_10f_f_6f_2f_ef:C-H-N-O-P-Zn,90.0,A4B20C2D12E4F3_mC180_15_2f_10f_f_6f_2f_ef:C-H-N-O-P-Zn +mp-1178695,ZnP3C4NO12,-6.4487285079,-0.6339155288,1.2871032008,1.2871032008,GGA,P-1,A4BC12D3E_aP42_2_4i_i_12i_3i_i:C-N-O-P-Zn,42.0,A4BC12D3E_aP42_2_4i_i_12i_3i_i:C-N-O-P-Zn +mp-535004,Zn2P3H19C4(NO6)2,-5.912119018,-1.2414260192,0.0328153848,0.0328153848,GGA,P-1,A4B19C2D12E3F2_aP168_2_8i_38i_4i_24i_6i_4i:C-H-N-O-P-Zn,168.0,"Invalid WP multiplicities - A4B19C2D12E3F2_aP168_2_14i_74i_6i_46i_10i_6i:C-H-N-O-P-Zn, expected Zn3P5H37C7N3O23 to be Zn2P3H19C4(NO6)2" +mp-1207539,Zn2P3H10C(NO4)3,-6.3411216123,-1.6222483867,0.010745332,0.010745332,GGA,P2_1,AB10C3D12E3F2_mP62_4_a_10a_3a_12a_3a_2a:C-H-N-O-P-Zn,62.0,AB10C3D12E3F2_mP62_4_a_10a_3a_12a_3a_2a:C-H-N-O-P-Zn +mp-707294,ZnP2H15C5NO9,-5.9892470058,-1.080845185,0.0974026419,0.0974026419,GGA,P2_12_12_1,A5B15CD9E2F_oP132_19_5a_15a_a_9a_2a_a:C-H-N-O-P-Zn,132.0,A5B15CD9E2F_oP132_19_5a_15a_a_9a_2a_a:C-H-N-O-P-Zn +mp-1199347,Zn3P4H28C8(NO6)2,-5.6275224567,-0.8855689752,0.1204546065,0.1204546065,GGA,Fddd,A8B28C2D12E4F3_oF456_70_2h_7h_e_3h_h_ae:C-H-N-O-P-Zn,114.0,A8B28C2D12E4F3_oF456_70_2h_7h_e_3h_h_ae:C-H-N-O-P-Zn +mp-849786,ZnP2H15C4NO8,-5.8524797929,-1.0846763773,0.0660321219,0.0660321219,GGA,Pc,A4B15CD8E2F_mP124_7_8a_30a_2a_16a_4a_2a:C-H-N-O-P-Zn,124.0,"Invalid WP multiplicities - A4B15CD8E2F_mP124_7_12a_42a_2a_22a_4a_2a:C-H-N-O-P-Zn, expected ZnP2H21C6NO11 to be ZnP2H15C4NO8" +mp-1203969,ZnP3H16C3NO12,-5.9287495880000005,-1.2852489272,0.1059420661,0.1059420661,GGA,P2_1/c,A3B16CD12E3F_mP144_14_3e_16e_e_12e_3e_e:C-H-N-O-P-Zn,144.0,A3B16CD12E3F_mP144_14_3e_16e_e_12e_3e_e:C-H-N-O-P-Zn +mp-1199569,Zn2P3C(NO4)3,-6.4446972726,-1.0943253896,0.8874926703,0.8874926703,GGA,P2_1,AB3C12D3E2_mP42_4_a_3a_12a_3a_2a:C-N-O-P-Zn,42.0,AB3C12D3E2_mP42_4_a_3a_12a_3a_2a:C-N-O-P-Zn +mp-1199842,Zn4P3C3N3O13,-6.4193243271,-1.1008121556,0.7544025518,0.7544025518,GGA,P2_1,A3B3C13D3E4_mP52_4_3a_3a_13a_3a_4a:C-N-O-P-Zn,52.0,A3B3C13D3E4_mP52_4_3a_3a_13a_3a_4a:C-N-O-P-Zn +mp-1216088,Zn8P18(N12Cl)3,-6.7361434172,-0.379576936,0.2456508486,0.2456508486,GGA,C2,A3B36C18D8_mC130_5_ac_18c_2b8c_4c:Cl-N-P-Zn,65.0,"Invalid WP multiplicities - A3B36C18D8_mC130_5_ac_36c_2b14c_8c:Cl-N-P-Zn, expected Zn16P30(N24Cl)3 to be Zn8P18(N12Cl)3" +mp-1204953,ZnP3C6(NO6)2,-6.482563659,-0.2781928894,1.402698499,1.402698499,GGA,P2_12_12_1,A6B2C12D3E_oP96_19_6a_2a_12a_3a_a:C-N-O-P-Zn,96.0,A6B2C12D3E_oP96_19_6a_2a_12a_3a_a:C-N-O-P-Zn +mp-736581,Zn4P3H10C2NO13,-6.035680702,-1.6021376243,0.0290588933,0.0290588933,GGA,P2_1/c,A2B10CD13E3F4_mP132_14_2e_10e_e_13e_3e_4e:C-H-N-O-P-Zn,132.0,A2B10CD13E3F4_mP132_14_2e_10e_e_13e_3e_4e:C-H-N-O-P-Zn +mp-730292,Zn4P5C2(N3O10)2,-6.4886612923,-1.096348813,0.8458192374,0.8458192374,GGA,C2/c,A2B6C20D5E4_mC148_15_f_3f_10f_e2f_2f:C-N-O-P-Zn,74.0,A2B6C20D5E4_mC148_15_f_3f_10f_e2f_2f:C-N-O-P-Zn +mp-1199786,Zn5P4H12C2(NO8)2,-6.0881334574,-1.6261339249,0.0282440876,0.0282440876,GGA,P2_12_12_1,A2B12C2D16E4F5_oP164_19_2a_12a_2a_16a_4a_5a:C-H-N-O-P-Zn,164.0,A2B12C2D16E4F5_oP164_19_2a_12a_2a_16a_4a_5a:C-H-N-O-P-Zn +mp-559833,Na2YC(OF)3,-6.9511691543000005,-3.0597001314,0.0065562575,0.0065562575,GGA,Pbca,AB3C2D3E_oP80_61_c_3c_2c_3c_c:C-F-Na-O-Y,80.0,"Invalid WP multiplicities - AB3C2D3E_oP80_61_c_17c_9c_16c_c:C-F-Na-O-Y, expected Na9YCO16F17 to be Na2YC(OF)3" +mp-555625,C2SClO4F3,-6.1037088805,-1.5615716751000002,0.2092068653,0.2092068653,GGA,P2_1/c,A2BC3D4E_mP88_14_4e_2e_6e_8e_2e:C-Cl-F-O-S,88.0,"Invalid WP multiplicities - A2BC3D4E_mP88_14_10e_6e_23e_31e_4e:C-Cl-F-O-S, expected C10S4Cl6O31F23 to be C2SClO4F3" +mp-555503,C3S2ClO2F3,-6.0925483323,-1.2347985872,0.144395394,0.144395394,GGA,P2_1/c,A3BC3D2E2_mP44_14_3e_e_3e_2e_2e:C-Cl-F-O-S,44.0,"Invalid WP multiplicities - A3BC3D2E2_mP44_14_9e_e_9e_6e_4e:C-Cl-F-O-S, expected C9S4Cl(O2F3)3 to be C3S2ClO2F3" +mp-558160,NaYCO3F2,-7.5582778434,-3.0981920974,0.0,-0.0350877151,GGA,Pnma,AB2CD3E_oP32_62_c_d_c_3c_c:C-F-Na-O-Y,32.0,"Invalid WP multiplicities - AB2CD3E_oP32_62_c_d_c_11c_c:C-F-Na-O-Y, expected NaYCO11F2 to be NaYCO3F2" +mp-1222063,Na15Y2C9SClO30F,-6.8558673415,-2.2435633094,0.0369677907,0.0369677907,GGA,P3,A9BCD15E30FG2_hP59_143_3d_a_a_b2c4d_10d_a_2b:C-Cl-F-Na-O-S-Y,59.0,A9BCD15E30FG2_hP59_143_3d_a_a_b2c4d_10d_a_2b:C-Cl-F-Na-O-S-Y +mp-1221283,Na3YC2(O3F)2,-7.1217664402,-2.6650187130000003,0.0013302679,0.0013302679,GGA,P2_1/c,A2B2C3D6E_mP56_14_2e_2e_ad2e_6e_e:C-F-Na-O-Y,56.0,A2B2C3D6E_mP56_14_2e_2e_ad2e_6e_e:C-F-Na-O-Y +mp-558648,CSCl(OF)3,-5.6993240083,-1.7228623355,0.0801809011,0.0801809011,GGA,P2_1/c,ABC3D3E_mP36_14_e_e_3e_3e_e:C-Cl-F-O-S,36.0,"Invalid WP multiplicities - ABC3D3E_mP36_14_e_e_10e_10e_e:C-Cl-F-O-S, expected CSCl(OF)10 to be CSCl(OF)3" +mp-695305,NaCS(OF)3,-5.8830753894,-1.965059424,0.1466293768,0.1466293768,GGA,P1,AB3CD3E_aP72_1_8a_24a_8a_24a_8a:C-F-Na-O-S,72.0,AB3CD3E_aP72_1_8a_24a_8a_24a_8a:C-F-Na-O-S +mp-1219545,Re4(As2S)3,-7.3376390869,-0.4036261046,0.0,-0.0176916137,GGA,R3m,A6B4C3_hR39_160_3ab_ab_b:As-Re-S,13.0,A6B4C3_hR39_160_3ab_ab_b:As-Re-S +mp-1198019,ReN2(OF2)4,-5.9203349706,-1.6405947293,0.0,-0.0415427194,GGA,Pbca,A8B2C4D_oP120_61_8c_2c_4c_c:F-N-O-Re,120.0,A8B2C4D_oP120_61_8c_2c_4c_c:F-N-O-Re +mp-565400,ReAsC5SNO5F7,-6.9386836949,-1.518030639,0.1952692965,0.1952692965,GGA,P2_12_12_1,AB5C7DE5FG_oP84_19_a_5a_7a_a_5a_a_a:As-C-F-N-O-Re-S,84.0,"Invalid WP multiplicities - AB5C7DE5FG_oP84_19_a_17a_24a_a_19a_a_a:As-C-F-N-O-Re-S, expected ReAsC17SNO19F24 to be ReAsC5SNO5F7" +mp-667305,ReN(OF2)3,-6.1768652742,-1.8959596334,0.0,-0.0641570668,GGA,P2_1/c,A6BC3D_mP88_14_12e_ace_6e_2e:F-N-O-Re,88.0,"Invalid WP multiplicities - A6BC3D_mP88_14_43e_2a2c2e_19e_3e:F-N-O-Re, expected Re3N4O19F43 to be ReN(OF2)3" +mp-623064,ReN2(OF4)2,-5.8825833156,-1.7054505312,0.0418467939,0.0418467939,GGA,Pnma,A8B2C2D_oP52_62_2c3d_2c_2c_c:F-N-O-Re,52.0,"Invalid WP multiplicities - A8B2C2D_oP52_62_8c22d_4c_6c_c:F-N-O-Re, expected ReN4(O3F26)2 to be ReN2(OF4)2" +mp-1203853,ReC3O4F,-7.8614679247,-0.9916059831,0.5691027756,0.5691027756,GGA,I-4,A3BC4D_tI72_82_3g_g_4g_g:C-F-O-Re,36.0,A3BC4D_tI72_82_3g_g_4g_g:C-F-O-Re +mp-560960,ReSF4,-6.1150482008,-2.0772327138,0.0063341208,0.0063341208,GGA,Pca2_1,A4BC_oP144_29_24a_6a_6a:F-Re-S,144.0,"Invalid WP multiplicities - A4BC_oP144_29_90a_23a_19a:F-Re-S, expected Re23S19F90 to be ReSF4" +mp-1209063,Re4As5S4,-7.3828594985,-0.4890517883,0.0007433068,0.0007433068,GGA,F-43m,A5B4C4_cF52_216_ae_e_e:As-Re-S,13.0,A5B4C4_cF52_216_ae_e_e:As-Re-S +mp-1220058,Re3S4O8F,-6.3189102981,-0.3586371931,1.3511641955,1.3511641955,GGA,C2,AB8C3D4_mC64_5_c_8c_3c_4c:F-O-Re-S,32.0,"Invalid WP multiplicities - AB8C3D4_mC64_5_c_15c_6c_7c:F-O-Re-S, expected Re6S7O15F to be Re3S4O8F" +mp-1183030,AgS8N9(ClO6)2,-5.452025248,-0.0142144005,0.9197400814,0.9197400814,GGA,I-42d,AB2C9D12E8_tI128_122_a_d_bcde_3e_2e:Ag-Cl-N-O-S,64.0,AB2C9D12E8_tI128_122_a_d_bcde_3e_2e:Ag-Cl-N-O-S +mp-1204181,AgS8N9(ClO6)2,-5.1914802303,0.2463306171,1.180285099,1.180285099,GGA,I-42d,AB2C9D12E8_tI128_122_a_d_bcde_3e_2e:Ag-Cl-N-O-S,64.0,AB2C9D12E8_tI128_122_a_d_bcde_3e_2e:Ag-Cl-N-O-S +mp-680067,Ag2CSNClO4,-5.1497311575,-0.2495297779,0.8957524008000001,0.8957524008000001,GGA,C2/c,A2BCDE4F_mC80_15_cef_f_f_f_4f_f:Ag-C-Cl-N-O-S,40.0,"Invalid WP multiplicities - A2BCDE4F_mC80_15_2cef_f_f_f_12f_f:Ag-C-Cl-N-O-S, expected Ag5C2S2N2(ClO12)2 to be Ag2CSNClO4" +mp-1205047,AgH36C15S3N6Cl,-5.5016455465,-0.2165240655,0.1115840911,0.1115840911,GGA,P-1,AB15CD36E6F3_aP248_2_2i_30i_2i_72i_12i_6i:Ag-C-Cl-H-N-S,248.0,AB15CD36E6F3_aP248_2_2i_30i_2i_72i_12i_6i:Ag-C-Cl-H-N-S +mp-686742,Ag2H21N7(ClO4)2,-4.76694918,-0.3034890191,0.6362745838,0.6362745838,GGA,P1,A2B2C21D7E8_aP40_1_2a_2a_21a_7a_8a:Ag-Cl-H-N-O,40.0,A2B2C21D7E8_aP40_1_2a_2a_21a_7a_8a:Ag-Cl-H-N-O +mp-1198516,Ag3CN(ClO5)2,-4.6509103668,0.0094889779,0.7725206991,0.7725206991,GGA,P2_1,A3BC2DE10_mP34_4_3a_a_2a_a_10a:Ag-C-Cl-N-O,34.0,A3BC2DE10_mP34_4_3a_a_2a_a_10a:Ag-C-Cl-N-O +mp-1215002,Ag2H8C2S2N5ClO3,-5.6829427252,-0.5564980076,0.1858903363,0.1858903363,GGA,P-1,A2B2CD8E5F3G2_aP46_2_2i_2i_i_8i_5i_3i_2i:Ag-C-Cl-H-N-O-S,46.0,A2B2CD8E5F3G2_aP46_2_2i_2i_i_8i_5i_3i_2i:Ag-C-Cl-H-N-O-S +mp-567645,Ag2H12C6N3Cl,-5.478490774,-0.1198308183,0.2382415994,0.2382415994,GGA,Pna2_1,A2B6CD12E3_oP96_33_2a_6a_a_12a_3a:Ag-C-Cl-H-N,96.0,"Invalid WP multiplicities - A2B6CD12E3_oP96_33_4a_23a_a_46a_11a:Ag-C-Cl-H-N, expected Ag4H46C23N11Cl to be Ag2H12C6N3Cl" +mp-1215161,AgC2S2N4Cl,-5.8546350626,0.6210952456000001,0.8550183304000001,0.8550183304000001,GGA,P2_1/c,AB2CD4E2_mP80_14_2e_4e_2e_8e_4e:Ag-C-Cl-N-S,80.0,AB2CD4E2_mP80_14_2e_4e_2e_8e_4e:Ag-C-Cl-N-S +mp-557303,Ag2NClO3,-5.0778581093,-0.6935424342000001,0.0046095557,0.0046095557,GGA,Pnma,A2BCD3_oP28_62_2c_c_c_cd:Ag-Cl-N-O,28.0,"Invalid WP multiplicities - A2BCD3_oP28_62_6c_c_c_4c4d:Ag-Cl-N-O, expected Ag6NClO12 to be Ag2NClO3" +mp-1196463,AgH12C4S2N5O3,-5.8056332349,-0.4258046791,0.231500552,0.231500552,GGA,C2/c,AB4C12D5E3F2_mC216_15_2e_4f_12f_5f_3f_2f:Ag-C-H-N-O-S,108.0,AB4C12D5E3F2_mC216_15_2e_4f_12f_5f_3f_2f:Ag-C-H-N-O-S +mp-1199373,AgH8C3S2ClO4,-4.952506082,-0.34363492,0.5892008218,0.5892008218,GGA,P2_1/c,AB3CD8E4F2_mP152_14_2e_6e_2e_16e_8e_4e:Ag-C-Cl-H-O-S,152.0,AB3CD8E4F2_mP152_14_2e_6e_2e_16e_8e_4e:Ag-C-Cl-H-O-S +mp-1205234,AgH8C3S2ClO4,-4.9531716703,-0.3443005082,0.5885352335,0.5885352335,GGA,Pca2_1,AB3CD8E4F2_oP152_29_2a_6a_2a_16a_8a_4a:Ag-C-Cl-H-O-S,152.0,AB3CD8E4F2_oP152_29_2a_6a_2a_16a_8a_4a:Ag-C-Cl-H-O-S +mp-1183000,AgC8S4N4Cl,-6.3644073039,0.7690480167,0.947420065,0.947420065,GGA,I-4,AB8CD4E4_tI36_82_a_2g_c_g_g:Ag-C-Cl-N-S,18.0,AB8CD4E4_tI36_82_a_2g_c_g_g:Ag-C-Cl-N-S +mp-1183010,AgC8S4N4Cl,-6.3987491233,0.7347061973,0.9130782456,0.9130782456,GGA,I-4,AB8CD4E4_tI36_82_a_2g_c_g_g:Ag-C-Cl-N-S,18.0,AB8CD4E4_tI36_82_a_2g_c_g_g:Ag-C-Cl-N-S +mp-1202929,AgH8C2S2N4Cl,-5.5602214236,-0.4547152324,0.0230358769,0.0230358769,GGA,P2_1/c,AB2CD8E4F2_mP144_14_2e_4e_2e_16e_8e_4e:Ag-C-Cl-H-N-S,144.0,AB2CD8E4F2_mP144_14_2e_4e_2e_16e_8e_4e:Ag-C-Cl-H-N-S +mp-1201812,AgH4CSN2Cl,-5.3155441486,-0.4865339434,0.0413469392,0.0413469392,GGA,Pbca,ABCD4E2F_oP80_61_c_c_c_4c_2c_c:Ag-C-Cl-H-N-S,80.0,ABCD4E2F_oP80_61_c_c_c_4c_2c_c:Ag-C-Cl-H-N-S +mp-1200476,AgH14C3S3N6ClO,-5.5928095803,-0.5155591792,0.0289970638,0.0289970638,GGA,P-1,AB3CD14E6FG3_aP58_2_i_3i_i_14i_6i_i_3i:Ag-C-Cl-H-N-O-S,58.0,AB3CD14E6FG3_aP58_2_i_3i_i_14i_6i_i_3i:Ag-C-Cl-H-N-O-S +mp-1204763,AgN2ClO4,-4.1286323681,1.0139723017,1.7127891856000002,1.7127891856000002,GGA,P2/m,ABC2D4_mP32_10_abgh_mn_2m2n_2m2n2o:Ag-Cl-N-O,32.0,ABC2D4_mP32_10_abde_mn_2m2n_2m2n2o:Ag-Cl-N-O +mp-1196722,AgN2ClO4,-4.1439167137,0.998687956,1.69750484,1.69750484,GGA,Pnnm,ABC2D4_oP32_58_ab_g_2g_2gh:Ag-Cl-N-O,32.0,ABC2D4_oP32_58_ab_g_2g_2gh:Ag-Cl-N-O +mp-1204384,AgH10S8N8ClO6,-5.1235748868,-0.1802794834,0.5524580697,0.5524580697,GGA,P2_1/c,ABC10D8E6F8_mP136_14_e_e_10e_8e_6e_8e:Ag-Cl-H-N-O-S,136.0,ABC10D8E6F8_mP136_14_e_e_10e_8e_6e_8e:Ag-Cl-H-N-O-S +mp-1202475,AgH24C9S3N6ClO4,-5.5468445035,-0.3097698958,0.3003687852,0.3003687852,GGA,P-1,AB9CD24E6F4G3_aP96_2_i_9i_i_24i_6i_4i_3i:Ag-C-Cl-H-N-O-S,96.0,AB9CD24E6F4G3_aP96_2_i_9i_i_24i_6i_4i_3i:Ag-C-Cl-H-N-O-S +mp-1200006,AgH8C3S2NO3,-5.3297694297,-0.3792237834,0.4008622661,0.4008622661,GGA,Pbca,AB3C8DE3F2_oP288_61_2c_6c_16c_2c_6c_4c:Ag-C-H-N-O-S,288.0,AB3C8DE3F2_oP288_61_2c_6c_16c_2c_6c_4c:Ag-C-H-N-O-S +mp-1238260,CsMoH2C2SO7,-6.8097622486,-1.3992546484,0.3462235976,0.3462235976,GGA+U,P2_1/c,A2BC2DE7F_mP112_14_4e_2e_4e_2e_14e_2e:C-Cs-H-Mo-O-S,112.0,A2BC2DE7F_mP112_14_4e_2e_4e_2e_14e_2e:C-Cs-H-Mo-O-S +mp-1204705,Cs6Mo4C10S2O27,-7.4523707954,-1.6794082539,0.1813889462,0.1813889462,GGA+U,Cmc2_1,A10B6C4D27E2_oC196_36_2a4b_2a2b_2b_3a12b_2a:C-Cs-Mo-O-S,98.0,A10B6C4D27E2_oC196_36_2a4b_2a2b_2b_3a12b_2a:C-Cs-Mo-O-S +mp-1226414,Cs3H(SF6)2,-4.4331088064,-2.361465445,0.0,-0.0681130607,GGA,Pba2,A3B12CD2_oP36_32_ac_6c_a_c:Cs-F-H-S,36.0,A3B12CD2_oP36_32_ac_6c_a_c:Cs-F-H-S +mp-643586,CsHS2(O3F)2,-5.8527295537,-2.0140530243,0.0,-0.0211245752,GGA,C2/c,AB2CD6E2_mC48_15_e_f_c_3f_f:Cs-F-H-O-S,24.0,AB2CD6E2_mC48_15_e_f_c_3f_f:Cs-F-H-O-S +mp-1198212,CsMo2H2C7S7(OF)21,-6.1273908916,-1.7511698514,0.2586111031,0.2586111031,GGA+U,P2_1/m,A7BC21D2E2F21G7_mP122_11_3e2f_e_3e9f_f_f_3e9f_3e2f:C-Cs-F-H-Mo-O-S,122.0,A7BC21D2E2F21G7_mP122_11_3e2f_e_3e9f_f_f_3e9f_3e2f:C-Cs-F-H-Mo-O-S +mp-1194231,Na2Co2Si8H72C24N4O,-5.25168433,-0.2576918885,0.1094993887,0.1094993887,GGA+U,P-1,A24B2C72D4E2FG8_aP113_2_12i_i_36i_2i_i_a_4i:C-Co-H-N-Na-O-Si,113.0,A24B2C72D4E2FG8_aP113_2_12i_i_36i_2i_i_a_4i:C-Co-H-N-Na-O-Si +mp-771041,Na3CoSiCO7,-6.79822785,-2.1554049133,0.0548791806,0.0548791806,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Co-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Co-Na-O-Si, expected Na4CoSiCO13 to be Na3CoSiCO7" +mp-1647864,Na2CoSiCO7,-6.9830765596,-2.0635621527,0.0762902878,0.0762902878,GGA+U,P-1,ABC2D7E_aP48_2_2i_2i_4i_14i_2i:C-Co-Na-O-Si,48.0,"Invalid WP multiplicities - ABC2D7E_aP48_2_4i_2i_8i_28i_4i:C-Co-Na-O-Si, expected Na4CoSi2(CO7)2 to be Na2CoSiCO7" +mp-1652312,Na2CoSiCO7,-6.9823691708,-2.0628547639,0.0769976766,0.0769976766,GGA+U,Cm,ABC2D7E_mC96_8_2ab_2ab_4b_10a9b_2ab:C-Co-Na-O-Si,48.0,"Invalid WP multiplicities - ABC2D7E_mC96_8_2ab_2a2b_7b_10a12b_2ab:C-Co-Na-O-Si, expected Na7Co3Si2C2O17 to be Na2CoSiCO7" +mp-1666497,Na2CoSiCO7,-6.9815995848,-2.0620851779,0.0777672626,0.0777672626,GGA+U,Cm,ABC2D7E_mC96_8_2ab_2ab_4b_10a9b_2ab:C-Co-Na-O-Si,48.0,"Invalid WP multiplicities - ABC2D7E_mC96_8_2ab_2a2b_7b_10a12b_2ab:C-Co-Na-O-Si, expected Na7Co3Si2C2O17 to be Na2CoSiCO7" +mp-771009,Na2CoSiCO7,-6.9861268192,-2.0666124122,0.0732400282,0.0732400282,GGA+U,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Co-Na-O-Si,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Co-Na-O-Si, expected Na2CoSiCO13 to be Na2CoSiCO7" +mp-1577488,Na2CoSiCO7,-6.9799291479,-2.060414741,0.0794376995,0.0794376995,GGA+U,P2_1/m,ABC2D7E_mP48_11_2e_2e_2f_10e2f_2e:C-Co-Na-O-Si,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_11_4e_2e_8f_20e8f_4e:C-Co-Na-O-Si, expected Na8CoSi2(CO9)2 to be Na2CoSiCO7" +mp-1577058,Na2CoSiCO7,-6.9805762444,-2.0610618374,0.078790603,0.078790603,GGA+U,P2_1/m,ABC2D7E_mP48_11_2e_2e_2f_10e2f_2e:C-Co-Na-O-Si,48.0,"Invalid WP multiplicities - ABC2D7E_mP48_11_3e_2e_7f_15e7f_3e:C-Co-Na-O-Si, expected Na14Co2Si3C3O29 to be Na2CoSiCO7" +mp-866641,K2Na(H2N)3,-4.5200319387,-0.4442682527,0.0,-0.0058847598,GGA,P4_2/m,A6B2C3D_tP48_84_3k_afi_jk_j:H-K-N-Na,48.0,A6B2C3D_tP48_84_3k_afi_jk_j:H-K-N-Na +mp-1181575,K3Na8FeH12S6(NO18)2,-5.9743085572,-1.8174465632,0.0,-0.0052680779,GGA+U,R-3,AB12C3D2E8F36G6_hR204_148_a_2f_e_c_cf_6f_f:Fe-H-K-N-Na-O-S,68.0,AB12C3D2E8F36G6_hR204_148_a_2f_e_c_cf_6f_f:Fe-H-K-N-Na-O-S +mp-731921,LiBeNF4,-5.1642255125,-2.0741188658,0.3702284696,0.3702284696,GGA,Pna2_1,AB4CD_oP28_33_a_4a_a_a:Be-F-Li-N,28.0,AB4CD_oP28_33_a_4a_a_a:Be-F-Li-N +mp-721303,LiBeH5(NF2)2,-5.3828426267000005,-1.7727755747,0.0880314803,0.0880314803,GGA,Pna2_1,AB4C5DE2_oP52_33_a_4a_5a_a_2a:Be-F-H-Li-N,52.0,AB4C5DE2_oP52_33_a_4a_5a_a_2a:Be-F-H-Li-N +mp-24817,LiBeH3,-3.4941901993,-0.328887426,0.0020359016,0.0020359016,GGA,P-1,AB3C_aP30_2_3i_9i_3i:Be-H-Li,30.0,AB3C_aP30_2_3i_9i_3i:Be-H-Li +mp-24818,LiBeH3,-3.490937505,-0.3256347317,0.005288596,0.005288596,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Be-H-Li,20.0,"Invalid WP multiplicities - AB3C_aP20_2_4i_12i_3i:Be-H-Li, expected Li3(BeH3)4 to be LiBeH3" +mp-1079676,LiBeH3,-3.488323453,-0.3230206797,0.007902648,0.007902648,GGA,C2,AB3C_mC20_5_c_3c_c:Be-H-Li,10.0,AB3C_mC20_5_c_3c_c:Be-H-Li +mp-570218,LiBeH3,-3.4942290168,-0.3289262435,0.0019970841,0.0019970841,GGA,P2_1/c,AB3C_mP60_14_3e_9e_3e:Be-H-Li,60.0,"Invalid WP multiplicities - AB3C_mP60_14_9e_36e_8e:Be-H-Li, expected Li8(BeH4)9 to be LiBeH3" +mp-977298,LiBeH3,-3.478912668,-0.3136098947,0.017313433,0.017313433,GGA,C2/c,AB3C_mC40_15_f_3f_2e:Be-H-Li,20.0,"Invalid WP multiplicities - AB3C_mC40_15_f_9f_3e:Be-H-Li, expected Li3(BeH9)2 to be LiBeH3" +mp-24342,LiBeH3,-3.3899778135,-0.2246750402,0.1062482875,0.1062482875,GGA,Pnma,AB3C_oP20_62_a_cd_c:Be-H-Li,20.0,AB3C_oP20_62_a_cd_c:Be-H-Li +mp-977148,LiBeH3,-3.4892464823,-0.323943709,0.0069796186,0.0069796186,GGA,Cmcm,AB3C_oC60_63_cg_cfgh_ae:Be-H-Li,30.0,"Invalid WP multiplicities - AB3C_oC60_63_2c2g_2c3f2g4h_2a2e:Be-H-Li, expected Li3Be3H14 to be LiBeH3" +mp-1197133,Li2Be2H4NF7,-5.4495953927,-2.5380689339,0.0023308996,0.0023308996,GGA,Pnma,A2B7C4D2E_oP64_62_d_c3d_2cd_d_c:Be-F-H-Li-N,64.0,A2B7C4D2E_oP64_62_d_c3d_2cd_d_c:Be-F-H-Li-N +mp-706611,LiBeH4NF4,-5.3151673061,-2.1150172419,0.0246160296,0.0246160296,GGA,Pca2_1,AB4C4DE_oP44_29_a_4a_4a_a_a:Be-F-H-Li-N,44.0,AB4C4DE_oP44_29_a_4a_4a_a_a:Be-F-H-Li-N +mp-722623,Li66Be24H35,-2.726023209,-0.0501813728,0.2273155304,0.2273155304,GGA,P1,A24B35C66_aP125_1_24a_35a_66a:Be-H-Li,125.0,A24B35C66_aP125_1_24a_35a_66a:Be-H-Li +mp-29463,LiBeN,-5.6561034858,-0.9944932669,0.0,-0.1147710783,GGA,P2_1/c,ABC_mP12_14_e_e_e:Be-Li-N,12.0,ABC_mP12_14_e_e_e:Be-Li-N +mp-560581,LiBeH8CNOF4,-5.3125038069,-1.6096856251,0.0384364511,0.0384364511,GGA,P2_1/c,ABC4D8EFG_mP68_14_e_e_4e_8e_e_e_e:Be-C-F-H-Li-N-O,68.0,"Invalid WP multiplicities - ABC4D8EFG_mP68_14_e_e_14e_31e_e_e_e:Be-C-F-H-Li-N-O, expected LiBeH31CNOF14 to be LiBeH8CNOF4" +mp-30535,Li2BeH4,-3.1644528738,-0.1461439055,0.2552473028,0.2303834639,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Be-H-Li,42.0,AB4C2_aP42_1_6a_24a_12a:Be-H-Li +mp-1200545,Li2BeH4,-3.1571544833,-0.138845515,0.2625456933,0.2376818544,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Be-H-Li,42.0,AB4C2_aP42_1_6a_24a_12a:Be-H-Li +mp-1238195,Li2BeH4,-3.1534549464,-0.1351459781,0.2662452302,0.2413813913,GGA,P1,AB4C2_aP42_1_6a_24a_12a:Be-H-Li,42.0,AB4C2_aP42_1_6a_24a_12a:Be-H-Li +mp-1180666,Li2BeH4,-3.4197001766,-0.4013912083,0.0,-0.0248638389,GGA,P2_1/c,AB4C2_mP56_14_2e_8e_4e:Be-H-Li,56.0,AB4C2_mP56_14_2e_8e_4e:Be-H-Li +mp-1204777,ZnH12C6(S2N)2,-5.456212561,-0.2336830241,0.1381018345,0.1381018345,GGA,C2/c,A6B12C2D4E_mC200_15_6f_12f_2f_4f_f:C-H-N-S-Zn,100.0,A6B12C2D4E_mC200_15_6f_12f_2f_4f_f:C-H-N-S-Zn +mp-696420,ZnH8C2(SN3)2,-5.7872349234,-0.2529848056,0.1729408766,0.1729408766,GGA,P2_1/c,A2B8C6D2E_mP38_14_e_4e_3e_e_a:C-H-N-S-Zn,38.0,A2B8C6D2E_mP38_14_e_4e_3e_e_a:C-H-N-S-Zn +mp-1204018,ZnH8C2S2(IN2)2,-5.2984247812,-0.4866092502,0.0357094201,0.0357094201,GGA,P2_1/c,A2B8C2D4E2F_mP76_14_2e_8e_2e_4e_2e_e:C-H-I-N-S-Zn,76.0,A2B8C2D4E2F_mP76_14_2e_8e_2e_4e_2e_e:C-H-I-N-S-Zn +mp-1207565,ZnH2C4(S3N2)2,-6.2466485607,-0.1804993507,0.192567596,0.192567596,GGA,Pbcn,A4B2C4D6E_oP68_60_2d_d_2d_3d_c:C-H-N-S-Zn,68.0,A4B2C4D6E_oP68_60_2d_d_2d_3d_c:C-H-N-S-Zn +mp-1194655,AlB2H18C4N,-4.9282016707,-0.1811022446,0.1680063884,0.1680063884,GGA,C2/c,AB2C4D18E_mC208_15_f_2f_4f_18f_f:Al-B-C-H-N,104.0,AB2C4D18E_mC208_15_f_2f_4f_18f_f:Al-B-C-H-N +mp-1195904,AlZnB5H21C6(NO2)5,-6.3892156057000005,-1.1612384643,0.0406379132,0.0406379132,GGA,Cc,AB5C6D21E5F10G_mC196_9_a_5a_6a_21a_5a_10a_a:Al-B-C-H-N-O-Zn,98.0,AB5C6D21E5F10G_mC196_9_a_5a_6a_21a_5a_10a_a:Al-B-C-H-N-O-Zn +mp-1195007,AlZnB5H16C4(N2O5)2,-6.5257008119,-1.3448855973,0.0347551212,0.0347551212,GGA,Pbca,AB5C4D16E4F10G_oP328_61_c_5c_4c_16c_4c_10c_c:Al-B-C-H-N-O-Zn,328.0,AB5C4D16E4F10G_oP328_61_c_5c_4c_16c_4c_10c_c:Al-B-C-H-N-O-Zn +mp-569303,ZnB2(CN)8,-8.0861077442,0.0791454396,0.4398736204,0.4398736204,GGA,P-3m1,A2B8C8D_hP19_164_d_di_di_a:B-C-N-Zn,19.0,"Invalid WP multiplicities - A2B8C8D_hP19_164_d_2di_2d2i_a:B-C-N-Zn, expected ZnB2(C5N8)2 to be ZnB2(CN)8" +mp-1195233,AlZnB5H20C5(NO2)5,-6.3899357154,-1.208031707,0.0382229498,0.0382229498,GGA,P1,AB5C5D20E5F10G_aP94_1_2a_10a_10a_40a_10a_20a_2a:Al-B-C-H-N-O-Zn,94.0,AB5C5D20E5F10G_aP94_1_2a_10a_10a_40a_10a_20a_2a:Al-B-C-H-N-O-Zn +mp-1209817,ReHCSN2Cl3O,-5.9411960888,-0.3044303757,0.5847625465,0.5847625465,GGA,Pca2_1,AB3CD2EFG_oP40_29_a_3a_a_2a_a_a_a:C-Cl-H-N-O-Re-S,40.0,AB3CD2EFG_oP40_29_a_3a_a_2a_a_a_a:C-Cl-H-N-O-Re-S +mp-1198926,ReH12C3S3(NCl)6,-5.5782246634,-0.5987802984,0.0572290787,0.0572290787,GGA,Pbca,A3B6C12D6EF3_oP248_61_3c_6c_12c_6c_c_3c:C-Cl-H-N-Re-S,248.0,A3B6C12D6EF3_oP248_61_3c_6c_12c_6c_c_3c:C-Cl-H-N-Re-S +mp-1202145,ReC2NCl4,-5.7082277634,0.1208347034,0.8081962163,0.8081962163,GGA,P-1,A2B4CD_aP32_2_4i_8i_2i_2i:C-Cl-N-Re,32.0,A2B4CD_aP32_2_4i_8i_2i_2i:C-Cl-N-Re +mp-720895,ReH22C4S4N8Cl8O3,-5.4503782151,-0.7130726066,0.0854093302,0.0854093302,GGA,Pnma,A4B8C22D8E3FG4_oP200_62_2d_2c3d_4c9d_4d_3c_c_2d:C-Cl-H-N-O-Re-S,200.0,A4B8C22D8E3FG4_oP200_62_2d_2c3d_4c9d_4d_3c_c_2d:C-Cl-H-N-O-Re-S +mp-707926,ReH22C4S4N8Cl8O3,-5.454145987,-0.7168403785,0.0816415583,0.0816415583,GGA,Cmcm,A4B8C22D8E3FG4_oC200_63_h_3fg_f2g4h_2h_cg_c_h:C-Cl-H-N-O-Re-S,100.0,A4B8C22D8E3FG4_oC200_63_h_3fg_f2g4h_2h_cg_c_h:C-Cl-H-N-O-Re-S +mp-1200983,Re2S(ClO2)4,-6.7373440378,-1.6711333334,0.0,-0.0115074615,GGA,C2/c,A4B8C2D_mC120_15_4f_8f_2f_f:Cl-O-Re-S,60.0,A4B8C2D_mC120_15_4f_8f_2f_f:Cl-O-Re-S +mp-1179387,ReH12N3Cl4O3,-5.372746482,-1.0074883396,0.0004342815,0.0004342815,GGA,P6_3mc,A4B12C3D3E_hP46_186_ac_2cd_c_c_b:Cl-H-N-O-Re,46.0,A4B12C3D3E_hP46_186_ac_2cd_c_c_b:Cl-H-N-O-Re +mp-1179444,ReCSN2Cl3O2,-6.1245248073,-0.3323628276,0.7161625158,0.7161625158,GGA,Pca2_1,AB3C2D2EF_oP40_29_a_3a_2a_2a_a_a:C-Cl-N-O-Re-S,40.0,AB3C2D2EF_oP40_29_a_3a_2a_2a_a_a:C-Cl-N-O-Re-S +mp-1204366,ReCSN2Cl3O2,-6.4124114485,-0.6202494688,0.4282758746,0.4282758746,GGA,Pca2_1,AB3C2D2EF_oP40_29_a_3a_2a_2a_a_a:C-Cl-N-O-Re-S,40.0,AB3C2D2EF_oP40_29_a_3a_2a_2a_a_a:C-Cl-N-O-Re-S +mp-1201283,ReCNCl3O2,-6.1192977284,-0.4382133528,0.7923783968,0.7923783968,GGA,C2/c,AB3CD2E_mC64_15_f_3f_f_2f_f:C-Cl-N-O-Re,32.0,AB3CD2E_mC64_15_f_3f_f_2f_f:C-Cl-N-O-Re +mp-555493,Re2S2NCl11,-4.708718785,-0.844196767,0.0727160295,0.0727160295,GGA,C2/c,A11BC2D2_mC64_15_e5f_e_f_f:Cl-N-Re-S,32.0,"Invalid WP multiplicities - A11BC2D2_mC64_15_2e19f_e_f_f:Cl-N-Re-S, expected Re2S2NCl40 to be Re2S2NCl11" +mp-1210407,ReC4S4N8Cl8O3,-5.588051317,0.2057096629,0.8811449807,0.8811449807,GGA,Cmcm,A4B8C8D3EF4_oC112_63_h_3fg_2h_cg_c_h:C-Cl-N-O-Re-S,56.0,A4B8C8D3EF4_oC112_63_h_3fg_2h_cg_c_h:C-Cl-N-O-Re-S +mp-1193300,ReS2ClO9,-6.8712171131,-1.7107431146,0.0,-0.0134557757,GGA,P-1,AB9CD2_aP26_2_i_9i_i_2i:Cl-O-Re-S,26.0,AB9CD2_aP26_2_i_9i_i_2i:Cl-O-Re-S +mp-720928,ReH12C2S2N4Cl5O3,-5.5540519716,-0.8190106068,0.1031147804,0.1031147804,GGA,P2_1/c,A2B5C12D4E3FG2_mP116_14_2e_5e_12e_4e_3e_e_2e:C-Cl-H-N-O-Re-S,116.0,A2B5C12D4E3FG2_mP116_14_2e_5e_12e_4e_3e_e_2e:C-Cl-H-N-O-Re-S +mp-554716,NaSbCO2F3,-6.1088100394,-2.3203092455,0.0310951297,0.0310951297,GGA,Cc,AB3CD2E_mC64_9_2a_6a_2a_4a_2a:C-F-Na-O-Sb,32.0,"Invalid WP multiplicities - AB3CD2E_mC64_15_f_11f_f_4f_f:C-F-Na-O-Sb, expected NaSbCO4F11 to be NaSbCO2F3" +mp-554239,NaSbCO2F3,-6.1084971837,-2.3199963899,0.0314079853,0.0314079853,GGA,C2/c,AB3CD2E_mC64_15_f_3f_f_2f_f:C-F-Na-O-Sb,32.0,"Invalid WP multiplicities - AB3CD2E_mC64_15_f_10f_f_6f_f:C-F-Na-O-Sb, expected NaSbC(O3F5)2 to be NaSbCO2F3" +mp-775978,Na4Sb2C4SO16,-6.8260855333,-1.8725212789,0.0769711646,0.0769711646,GGA,P1,A4B4C16DE2_aP108_1_16a_16a_64a_4a_8a:C-Na-O-S-Sb,108.0,A4B4C16DE2_aP108_1_16a_16a_64a_4a_8a:C-Na-O-S-Sb +mp-776293,Na4Sb2C4SO16,-6.8289893506,-1.8754250961,0.0740673473,0.0740673473,GGA,F222,A4B4C16DE2_oF216_22_2k_efgh_8k_ac_k:C-Na-O-S-Sb,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_22_4k_2e2fg2h_20k_ac_k:C-Na-O-S-Sb, expected Na7Sb2C8SO40 to be Na4Sb2C4SO16" +mp-768959,Na4Sb2C4SO16,-6.8439206794,-1.890356425,0.0591360184,0.0591360184,GGA,Fddd,A4B4C16DE2_oF216_70_h_ef_4h_a_d:C-Na-O-S-Sb,54.0,"Invalid WP multiplicities - A4B4C16DE2_oF216_70_h_2e3f_21h_a_d:C-Na-O-S-Sb, expected Na10Sb2C4SO84 to be Na4Sb2C4SO16" +mp-768656,NaSbCSO7,-6.7501015309,-1.8916049062,0.035948307,0.035948307,GGA,P2_1,ABC7DE_mP22_4_a_a_7a_a_a:C-Na-O-S-Sb,22.0,"Invalid WP multiplicities - ABC7DE_mP22_4_a_a_13a_a_a:C-Na-O-S-Sb, expected NaSbCSO13 to be NaSbCSO7" +mp-557006,Na2SbSO4F3,-5.719762978,-2.4077908469,0.0,-0.0198424184,GGA,Cmce,A3B2C4DE_oC88_64_fg_de_2g_d_f:F-Na-O-S-Sb,44.0,"Invalid WP multiplicities - A3B2C4DE_oC88_64_4f5g_3d3e_8g_d_f:F-Na-O-S-Sb, expected Na6SbS(O8F7)2 to be Na2SbSO4F3" +mp-1200283,NaSbNO4F3,-5.462896451,-1.5319751304,0.3662151269,0.3662151269,GGA,Pbca,A3BCD4E_oP80_61_3c_c_c_4c_c:F-N-Na-O-Sb,80.0,A3BCD4E_oP80_61_3c_c_c_4c_c:F-N-Na-O-Sb +mp-1195293,Na2Sb5C2S2N2(OF3)3,-5.8159323282,-1.8664661603,0.0560557665,0.0560557665,GGA,P-1,A2B9C2D2E3F2G5_aP50_2_2i_9i_2i_2i_3i_2i_5i:C-F-N-Na-O-S-Sb,50.0,A2B9C2D2E3F2G5_aP50_2_2i_9i_2i_2i_3i_2i_5i:C-F-N-Na-O-S-Sb +mp-1196019,NaS2N(O2F)2,-5.8890520245,-1.7348887513,0.0852698789,0.0852698789,GGA,P2_1/c,A2BCD4E2_mP40_14_2e_e_e_4e_2e:F-N-Na-O-S,40.0,A2BCD4E2_mP40_14_2e_e_e_4e_2e:F-N-Na-O-S +mp-1201634,NaS2N(O2F)2,-5.8850697865,-1.7309065133,0.0892521169,0.0892521169,GGA,P2_1/c,A2BCD4E2_mP80_14_4e_2e_2e_8e_4e:F-N-Na-O-S,80.0,A2BCD4E2_mP80_14_4e_2e_2e_8e_4e:F-N-Na-O-S +mp-1195079,NaC2S2N(O2F3)2,-5.8788053684,-1.6510003942,0.227927033,0.227927033,GGA,P2_1/c,A2B6CDE4F2_mP128_14_4e_12e_2e_2e_8e_4e:C-F-N-Na-O-S,128.0,A2B6CDE4F2_mP128_14_4e_12e_2e_2e_8e_4e:C-F-N-Na-O-S +mp-556856,BaCSNCl,-6.497241759,-1.4034173821,0.0131057765,0.0131057765,GGA,P2_1/m,ABCDE_mP10_11_e_e_e_e_e:Ba-C-Cl-N-S,10.0,ABCDE_mP10_11_e_e_e_e_e:Ba-C-Cl-N-S +mp-1215051,Ba2H14C12S4N4O15,-6.7233632435,-1.1121434346,0.1253486403,0.1253486403,GGA,C2/c,A2B12C14D4E15F4_mC204_15_f_6f_7f_2f_e7f_2f:Ba-C-H-N-O-S,102.0,A2B12C14D4E15F4_mC204_15_f_6f_7f_2f_e7f_2f:Ba-C-H-N-O-S +mp-556567,BaH16C4S4(NO5)2,-5.6793074096,-0.9278768674,0.2646998119,0.2646998119,GGA,P2_1/c,AB4C16D2E10F4_mP148_14_e_4e_16e_2e_10e_4e:Ba-C-H-N-O-S,148.0,"Invalid WP multiplicities - AB4C16D2E10F4_mP148_14_e_12e_62e_6e_40e_15e:Ba-C-H-N-O-S, expected BaH62C12S15(N3O20)2 to be BaH16C4S4(NO5)2" +mp-1202239,BaH6C2SNO5,-6.2240262356,-1.3528355767,0.0874525984,0.0874525984,GGA,P-1,AB2C6DE5F_aP32_2_i_2i_6i_i_5i_i:Ba-C-H-N-O-S,32.0,AB2C6DE5F_aP32_2_i_2i_6i_i_5i_i:Ba-C-H-N-O-S +mp-643643,BaH2CSNClO,-5.9916484806,-1.3414906449,0.0896136211,0.0896136211,GGA,Pnma,ABCD2EFG_oP32_62_c_c_c_d_c_c_c:Ba-C-Cl-H-N-O-S,32.0,ABCD2EFG_oP32_62_c_c_c_d_c_c_c:Ba-C-Cl-H-N-O-S +mp-707729,BaH6C2S2N2O3,-6.0466834175,-1.014269798,0.1123014861,0.1123014861,GGA,C2/m,AB2C6D2E3F2_mC64_12_i_2i_2i2j_2i_3i_2i:Ba-C-H-N-O-S,32.0,AB2C6D2E3F2_mC64_12_i_2i_2i2j_2i_3i_2i:Ba-C-H-N-O-S +mp-1177545,Li3VFeP2(O4F)2,-7.4118756585,-2.8528304516,0.0,-0.1228233402,GGA+U,P1,A2BC3D8E2F_aP17_1_2a_a_3a_8a_2a_a:F-Fe-Li-O-P-V,34.0,A2BC3D8E2F_aP17_1_2a_a_3a_8a_2a_a:F-Fe-Li-O-P-V +mp-761208,Li2VFeP2(O4F)2,-7.4089851284,-2.6843072752,0.0740255034,0.0740255034,GGA+U,P1,A2BC2D8E2F_aP32_1_4a_2a_4a_16a_4a_2a:F-Fe-Li-O-P-V,32.0,A2BC2D8E2F_aP32_1_4a_2a_4a_16a_4a_2a:F-Fe-Li-O-P-V +mp-764571,Li2VFeP2(O4F)2,-7.4204205928,-2.6957427396,0.062590039,0.062590039,GGA+U,P-1,A2BC2D8E2F_aP32_2_2i_af_2i_8i_2i_ch:F-Fe-Li-O-P-V,32.0,"Invalid WP multiplicities - A2BC2D8E2F_aP32_2_3i_af_3i_15i_3i_ch:F-Fe-Li-O-P-V, expected Li3VFeP3(O5F)3 to be Li2VFeP2(O4F)2" +mp-756057,Li2VFeP2(O4F)2,-7.4209014934,-2.6962236402,0.0621091384,0.0621091384,GGA+U,P-1,A2BC2D8E2F_aP16_2_i_a_i_4i_i_b:F-Fe-Li-O-P-V,32.0,A2BC2D8E2F_aP16_2_i_a_i_4i_i_b:F-Fe-Li-O-P-V +mp-764581,Li2VFeP2(O4F)2,-7.4195315048,-2.6948536516,0.0634791271,0.0634791271,GGA+U,P-1,A2BC2D8E2F_aP48_2_3i_ai_3i_12i_3i_ci:F-Fe-Li-O-P-V,48.0,"Invalid WP multiplicities - A2BC2D8E2F_aP48_2_5i_ai_5i_23i_5i_ci:F-Fe-Li-O-P-V, expected Li10V3Fe3P10(O23F5)2 to be Li2VFeP2(O4F)2" +mp-1177762,Li2VFeP2(O4F)2,-7.4090096256,-2.6843317724,0.0740010062,0.0740010062,GGA+U,P-1,A2BC2D8E2F_aP32_2_2i_ah_2i_8i_2i_cf:F-Fe-Li-O-P-V,32.0,"Invalid WP multiplicities - A2BC2D8E2F_aP32_2_3i_ah_3i_15i_3i_cf:F-Fe-Li-O-P-V, expected Li3VFeP3(O5F)3 to be Li2VFeP2(O4F)2" +mp-1177665,Li3Fe2P2(O4F)2,-7.0915835429,-2.5686492101,0.0257681891,0.0257681891,GGA+U,P-1,A2B2C3D8E2_aP17_2_i_ab_di_4i_i:F-Fe-Li-O-P,34.0,"Invalid WP multiplicities - A2B2C3D8E2_aP17_2_i_2a2b_di_4i_i:F-Fe-Li-O-P, expected Li3Fe4P2(O4F)2 to be Li3Fe2P2(O4F)2" +mp-760108,Li7Fe7P6(O8F)3,-7.3660015385,-2.481163463,0.0386537045,0.0386537045,GGA+U,P6_3,A3B7C7D24E6_hP94_173_c_a2c_b2c_8c_2c:F-Fe-Li-O-P,94.0,"Invalid WP multiplicities - A3B7C7D24E6_hP94_173_c_a10c_b8c_37c_5c:F-Fe-Li-O-P, expected Li25Fe31P15(O37F)3 to be Li7Fe7P6(O8F)3" +mp-1205186,Li2Fe2P2O8F,-7.2883361587,-2.4170373704,0.1011764023,0.1011764023,GGA+U,Pbcn,AB2C2D8E2_oP60_60_c_d_d_4d_d:F-Fe-Li-O-P,60.0,AB2C2D8E2_oP60_60_c_d_d_4d_d:F-Fe-Li-O-P +mp-777388,LiVFeP2(O4F)2,-7.536085982,-2.6236911297,0.0275442863,0.0275442863,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V,30.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V +mp-806951,LiVFeP2(O4F)2,-4.18863968,0.7237551723,3.3749905883,3.3749905883,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V +mp-1446650,LiVFeP2(O4F)2,-5.1451219507,-0.2327270983,2.4185083176,2.4185083176,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Fe-Li-O-P-V +mp-759015,Li5Fe4P4O16F,-7.3192233363,-2.4480097514,0.0785908613,0.0785908613,GGA+U,I-4,AB4C5D16E4_tI60_82_a_g_bg_4g_g:F-Fe-Li-O-P,30.0,"Invalid WP multiplicities - AB4C5D16E4_tI60_82_a_g_bg_11g_g:F-Fe-Li-O-P, expected Li5Fe4P4O44F to be Li5Fe4P4O16F" +mp-25393,Li2FePO4F,-6.9704687025,-2.5927572289,0.0404007147,0.0404007147,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:F-Fe-Li-O-P,36.0,"Invalid WP multiplicities - ABC2D4E_aP18_1_2a_4a_4a_8a_2a:F-Fe-Li-O-P, expected Li2Fe2PO4F to be Li2FePO4F" +mp-1172969,Li2FePO4F,-6.9523722644,-2.5746607908,0.0584971528,0.0584971528,GGA+U,P1,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:F-Fe-Li-O-P,18.0,ABC2D4E_aP18_1_2a_2a_4a_8a_2a:F-Fe-Li-O-P +mp-759229,Li2FePO4F,-6.9791227208,-2.6014112472,0.0317466964,0.0317466964,GGA+U,P2_1/c,ABC2D4E_mP72_14_2e_2e_4e_8e_2e:F-Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_mP72_14_3e_3e_11e_29e_5e:F-Fe-Li-O-P, expected Li11Fe3P5O29F3 to be Li2FePO4F" +mp-758798,Li2FePO4F,-6.9720984725,-2.5943869989,0.0387709447,0.0387709447,GGA+U,Pbcn,ABC2D4E_oP72_60_2c_d_2d_4d_d:F-Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_60_7c_d_5d_13d_d:F-Fe-Li-O-P, expected Li10Fe2P2O26F7 to be Li2FePO4F" +mp-776062,Li2FePO4F,-6.7512018393,-2.3734903657,0.2596675779,0.2596675779,GGA+U,Pnma,ABC2D4E_oP72_62_2c_ab_2cd_4c2d_2c:F-Fe-Li-O-P,72.0,"Invalid WP multiplicities - ABC2D4E_oP72_62_5c_2a2b_7c2d_13c8d_5c:F-Fe-Li-O-P, expected Li11Fe4P5O29F5 to be Li2FePO4F" +mp-25407,LiFePO4F,-7.2371443363,-2.5508342868,0.0,-0.0078493312,GGA+U,P-1,ABCD4E_aP16_2_i_ab_i_4i_i:F-Fe-Li-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_ab_i_6i_i:F-Fe-Li-O-P, expected LiFePO6F to be LiFePO4F" +mp-771908,LiFePO4F,-7.2040686408,-2.5177585913,0.0330756955,0.0252263642,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Fe-Li-O-P,64.0,"Invalid WP multiplicities - ABCD4E_oP64_33_5a_5a_5a_29a_5a:F-Fe-Li-O-P, expected Li5Fe5P5O29F5 to be LiFePO4F" +mp-758540,Li7FeP4O14F,-6.8829640881,-2.6366377093,0.0642386894,0.0642386894,GGA+U,Cc,ABC7D14E4_mC108_9_a_a_7a_14a_4a:F-Fe-Li-O-P,54.0,"Invalid WP multiplicities - ABC7D14E4_mC108_9_a_a_12a_26a_4a:F-Fe-Li-O-P, expected Li12FeP4O26F to be Li7FeP4O14F" +mp-1222971,Li2Fe2P2O9F,-7.2386644612,-2.3626538028,0.0466871466,0.0466871466,GGA+U,P1,AB2C2D9E2_aP16_1_a_2a_2a_9a_2a:F-Fe-Li-O-P,16.0,AB2C2D9E2_aP16_1_a_2a_2a_9a_2a:F-Fe-Li-O-P +mp-759070,Li4Fe3P3O12F,-7.2861978067,-2.4793540624,0.0611453326,0.0611453326,GGA+U,P-43n,AB3C4D12E3_cP46_218_a_c_e_i_d:F-Fe-Li-O-P,46.0,AB3C4D12E3_cP46_218_a_c_e_i_d:F-Fe-Li-O-P +mp-704608,Mo2C3S2(Cl5O)2,-5.4787905016,-0.9509515304,0.2019100795,0.2019100795,GGA+U,P2_1/c,A3B10C2D2E2_mP152_14_6e_20e_4e_4e_4e:C-Cl-Mo-O-S,152.0,"Invalid WP multiplicities - A3B10C2D2E2_mP152_14_21e_78e_14e_12e_15e:C-Cl-Mo-O-S, expected Mo14C21S15(Cl13O2)6 to be Mo2C3S2(Cl5O)2" +mp-698272,Mo3H8C4SN2Cl6O7,-6.2921152329,-1.0301506743,0.1964708363,0.1964708363,GGA+U,P2_1/c,A4B6C8D3E2F7G_mP124_14_4e_6e_8e_3e_2e_7e_e:C-Cl-H-Mo-N-O-S,124.0,A4B6C8D3E2F7G_mP124_14_4e_6e_8e_3e_2e_7e_e:C-Cl-H-Mo-N-O-S +mp-1205118,MoH12C2(S2N)2,-5.3483724706,-0.432444711,0.0507300522,0.0507300522,GGA,Pnma,A2B12CD2E4_oP84_62_2c_4c4d_c_2c_2cd:C-H-Mo-N-S,84.0,A2B12CD2E4_oP84_62_2c_4c4d_c_2c_2cd:C-H-Mo-N-S +mp-1221927,Mo3H20C8S13N2,-5.5086000972,-0.1897385039,0.3026598298,0.3026598298,GGA,Cm,A8B20C3D2E13_mC92_8_4b_10b_ab_b_5a4b:C-H-Mo-N-S,46.0,"Invalid WP multiplicities - A8B20C3D2E13_mC92_8_6b_16b_ab_b_5a4b:C-H-Mo-N-S, expected Mo3H32C12S13N2 to be Mo3H20C8S13N2" +mp-1195191,Mo2H33C13S2N4Cl3O5,-5.6660290585,-0.4156767346,0.2481366193,0.2481366193,GGA+U,P-1,A13B3C33D2E4F5G2_aP124_2_13i_3i_33i_2i_4i_5i_2i:C-Cl-H-Mo-N-O-S,124.0,A13B3C33D2E4F5G2_aP124_2_13i_3i_33i_2i_4i_5i_2i:C-Cl-H-Mo-N-O-S +mp-555254,MoC3S2Cl7O,-5.4085187071,-0.7877335891,0.1486350197,0.1486350197,GGA+U,Pc,A3B7CDE2_mP28_7_3a_7a_a_a_2a:C-Cl-Mo-O-S,28.0,"Invalid WP multiplicities - A3B7CDE2_mP28_7_6a_14a_a_a_3a:C-Cl-Mo-O-S, expected MoC6S3Cl14O to be MoC3S2Cl7O" +mp-1200340,MoH20C7NClO6,-5.593801139,-0.5058568803,0.3023106075,0.3023106075,GGA+U,P2_12_12_1,A7BC20DEF6_oP144_19_7a_a_20a_a_a_6a:C-Cl-H-Mo-N-O,144.0,A7BC20DEF6_oP144_19_7a_a_20a_a_a_6a:C-Cl-H-Mo-N-O +mp-40157,Mo3H24C8S13N2,-5.541655588,-0.3768848386,0.1015595184,0.1015595184,GGA,P31m,A8B24C3D2E13_hP50_157_bd_4d_c_b_a4c:C-H-Mo-N-S,50.0,"Invalid WP multiplicities - A8B24C3D2E13_hP50_157_2b3d_13d_c_b_a8c:C-H-Mo-N-S, expected Mo3H78C22S25N2 to be Mo3H24C8S13N2" +mp-24234,MoH8S2(NO)2,-5.6263854217,-0.7712703899000001,0.1337338819,0.1337338819,GGA+U,C2/c,A8BC2D2E2_mC60_15_4f_e_f_f_f:H-Mo-N-O-S,30.0,A8BC2D2E2_mC60_15_4f_e_f_f_f:H-Mo-N-O-S +mp-1203951,Mo2H18C6NClO7,-5.9088714085,-0.68189385,0.2277381678,0.2277381678,GGA+U,P2_1/c,A6BC18D2EF7_mP140_14_6e_e_18e_2e_e_7e:C-Cl-H-Mo-N-O,140.0,A6BC18D2EF7_mP140_14_6e_e_18e_2e_e_7e:C-Cl-H-Mo-N-O +mp-1201166,MoH9S2(ClO)4,-4.9730357955,-1.1313365088,0.0777715403,0.0777715403,GGA+U,P2_1/c,A4B9CD4E2_mP80_14_4e_9e_e_4e_2e:Cl-H-Mo-O-S,80.0,A4B9CD4E2_mP80_14_4e_9e_e_4e_2e:Cl-H-Mo-O-S +mp-1198257,AsCClO2F3,-5.3011714822,-1.3806546219,0.6101388275,0.6101388275,GGA,P2_1/c,ABCD3E2_mP32_14_e_e_e_3e_2e:As-C-Cl-F-O,32.0,ABCD3E2_mP32_14_e_e_e_3e_2e:As-C-Cl-F-O +mp-555067,AsC4S4N4Cl2O2F5,-6.1203661674,-0.9106659345,0.1989315604,0.1989315604,GGA,P2_1/c,AB4C2D5E4F2G4_mP88_14_e_4e_2e_5e_4e_2e_4e:As-C-Cl-F-N-O-S,88.0,"Invalid WP multiplicities - AB4C2D5E4F2G4_mP88_14_e_15e_5e_14e_13e_7e_12e:As-C-Cl-F-N-O-S, expected AsC15S12N13Cl5(OF2)7 to be AsC4S4N4Cl2O2F5" +mp-561244,AsCSCl2F9,-4.682535313,-1.9022054708,0.0858393556,0.0858393556,GGA,P2_1/c,ABC2D9E_mP56_14_e_e_2e_9e_e:As-C-Cl-F-S,56.0,"Invalid WP multiplicities - ABC2D9E_mP56_14_e_e_2e_33e_e:As-C-Cl-F-S, expected AsCSCl2F33 to be AsCSCl2F9" +mp-560424,AsC4S2Cl2O2F13,-5.3024988315,-1.6239006053,0.2635423519,0.2635423519,GGA,P2_1/c,AB4C2D13E2F2_mP96_14_e_4e_2e_13e_2e_2e:As-C-Cl-F-O-S,96.0,"Invalid WP multiplicities - AB4C2D13E2F2_mP96_14_e_16e_2e_51e_6e_5e:As-C-Cl-F-O-S, expected AsC16S5Cl2(O2F17)3 to be AsC4S2Cl2O2F13" +mp-1214114,CSNCl2F5,-4.8062117010000005,-1.3106038568,0.1987156447,0.1987156447,GGA,P-1,AB2C5DE_aP20_2_i_2i_5i_i_i:C-Cl-F-N-S,20.0,AB2C5DE_aP20_2_i_2i_5i_i_i:C-Cl-F-N-S +mp-1229176,AsSClOF8,-4.6441408075,-2.0705886922,0.0255615792,0.0255615792,GGA,P2_1,ABC8DE_mP48_4_2a_2a_16a_2a_2a:As-Cl-F-O-S,48.0,"Invalid WP multiplicities - ABC8DE_mP48_4_3a_3a_23a_2a_3a:As-Cl-F-O-S, expected As3S3Cl3O2F23 to be AsSClOF8" +mp-41092,AsSClOF8,-4.6418344306,-2.0682823154,0.027867956,0.027867956,GGA,P2_1/c,ABC8DE_mP48_14_e_e_8e_e_e:As-Cl-F-O-S,48.0,"Invalid WP multiplicities - ABC8DE_mP48_14_e_e_31e_e_e:As-Cl-F-O-S, expected AsSClOF31 to be AsSClOF8" +mp-559455,C2SNCl2F5,-5.3229841202,-1.3061892171,0.1213683489,0.1213683489,GGA,P2_1/c,A2B2C5DE_mP88_14_4e_4e_10e_2e_2e:C-Cl-F-N-S,88.0,"Invalid WP multiplicities - A2B2C5DE_mP88_14_14e_13e_36e_7e_4e:C-Cl-F-N-S, expected C14S4N7Cl13F36 to be C2SNCl2F5" +mp-1228966,AsC3N3Cl3F7,-5.6863550497,-1.1992631432,0.201343438,0.201343438,GGA,C2,AB3C3D7E3_mC68_5_c_ab2c_ab2c_7c_ab2c:As-C-Cl-F-N,34.0,"Invalid WP multiplicities - AB3C3D7E3_mC68_5_c_ab2c_ab2c_13c_ab2c:As-C-Cl-F-N, expected AsC3N3Cl3F13 to be AsC3N3Cl3F7" +mp-1222907,LiPH22(C2O)4,-5.2549131194,-0.3777387542,0.286976069,0.286976069,GGA,C2/c,A8B22CD4E_mC144_15_4f_11f_e_2f_e:C-H-Li-O-P,72.0,A8B22CD4E_mC144_15_4f_11f_e_2f_e:C-H-Li-O-P +mp-1199239,CuP2H7C2NO6,-6.1782560967,-1.1704217717,0.1583248907,0.1583248907,GGA,P2_1/c,A2BC7DE6F2_mP76_14_2e_e_7e_e_6e_2e:C-Cu-H-N-O-P,76.0,A2BC7DE6F2_mP76_14_2e_e_7e_e_6e_2e:C-Cu-H-N-O-P +mp-769075,Li2CuH14C4(N3O4)2,-6.1611854717,-0.9634038076,0.1004408429,0.1004408429,GGA,P2_1/c,A4BC14D2E6F8_mP70_14_2e_a_7e_e_3e_4e:C-Cu-H-Li-N-O,70.0,"Invalid WP multiplicities - A4BC14D2E6F8_mP70_14_5e_a_23e_e_9e_13e:C-Cu-H-Li-N-O, expected Li2CuH46C10(N9O13)2 to be Li2CuH14C4(N3O4)2" +mp-1197453,Cu3P4C4(NO6)2,-6.9542665688,-1.0783167131,0.5300675648000001,0.5300675648000001,GGA,Pbca,A4B3C2D12E4_oP100_61_2c_ac_c_6c_2c:C-Cu-N-O-P,100.0,A4B3C2D12E4_oP100_61_2c_ac_c_6c_2c:C-Cu-N-O-P +mp-24145,CuP2H8CN2O5,-5.8484895792,-0.9693991086,0.2734169426,0.2734169426,GGA,C2/c,ABC8D2E5F2_mC76_15_e_a_4f_f_e2f_f:C-Cu-H-N-O-P,38.0,ABC8D2E5F2_mC76_15_e_c_4f_f_e2f_f:C-Cu-H-N-O-P +mp-769201,LiCuHCO4,-6.365468186,-1.5634336961000002,0.0880389066,0.0880389066,GGA,P6_3/m,ABCDE4_hP48_176_h_g_h_h_2hi:C-Cu-H-Li-O,48.0,"Invalid WP multiplicities - ABCDE4_hP48_176_h_g_h_h_11h4i:C-Cu-H-Li-O, expected LiCuHCO19 to be LiCuHCO4" +mp-1235090,LiCu4H8(CO5)2,-5.651637908,-1.1167668678,0.2032211548,0.2032211548,GGA,P1,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Li-O,25.0,A2B4C8DE10_aP25_1_2a_4a_8a_a_10a:C-Cu-H-Li-O +mp-1198038,LiPH4CO3,-5.9612975117,-1.4651113938,0.0140404927,0.0140404927,GGA,P2_1/c,AB4CD3E_mP40_14_e_4e_e_3e_e:C-H-Li-O-P,40.0,AB4CD3E_mP40_14_e_4e_e_3e_e:C-H-Li-O-P +mp-1196158,CuP3H16C3NO12,-5.9439292506,-1.2215546159,0.1417975725,0.1417975725,GGA,P2_1/c,A3BC16DE12F3_mP144_14_3e_e_16e_e_12e_3e:C-Cu-H-N-O-P,144.0,A3BC16DE12F3_mP144_14_3e_e_16e_e_12e_3e:C-Cu-H-N-O-P +mp-1199099,Cu3P4H24C6(NO8)2,-5.8976525384,-1.0509569511,0.1750737989,0.1750737989,GGA,P-1,A6B3C24D2E16F4_aP55_2_3i_ai_12i_i_8i_2i:C-Cu-H-N-O-P,55.0,A6B3C24D2E16F4_aP55_2_3i_ai_12i_i_8i_2i:C-Cu-H-N-O-P +mp-721086,Li2CuP6H20C2(N3O11)2,-6.4116917336,-1.5717791823,0.0470460274,0.0470460274,GGA,P-1,A2BC20D2E6F22G6_aP59_2_i_a_10i_i_3i_11i_3i:C-Cu-H-Li-N-O-P,59.0,A2BC20D2E6F22G6_aP59_2_i_a_10i_i_3i_11i_3i:C-Cu-H-Li-N-O-P +mp-1212142,KCu2H2C2BrN2O,-5.8300042395,-0.5823403983000001,0.2065340234,0.2065340234,GGA,Pnma,AB2C2D2EF2G_oP44_62_c_d_d_d_c_d_c:Br-C-Cu-H-K-N-O,44.0,AB2C2D2EF2G_oP44_62_c_d_d_d_c_d_c:Br-C-Cu-H-K-N-O +mp-1202524,K2CuH14C4(N3O4)2,-6.1473107396,-0.9951590137,0.047812255,0.047812255,GGA,P2_1/c,A4BC14D2E6F8_mP70_14_2e_a_7e_e_3e_4e:C-Cu-H-K-N-O,70.0,A4BC14D2E6F8_mP70_14_2e_a_7e_e_3e_4e:C-Cu-H-K-N-O +mp-558178,KCBr(NO2)2,-6.15943019,-0.7870038051,0.493972538,0.493972538,GGA,P-1,ABCD2E4_aP18_2_i_i_i_2i_4i:Br-C-K-N-O,18.0,"Invalid WP multiplicities - ABCD2E4_aP18_2_i_i_i_2i_7i:Br-C-K-N-O, expected KCBrN2O7 to be KCBr(NO2)2" +mp-1429979,KCBr(NO2)2,-3.8797490261,1.4926773588,2.7736537019,2.7736537019,GGA,P-1,ABCD2E4_aP18_2_i_i_i_2i_4i:Br-C-K-N-O,18.0,"Invalid WP multiplicities - ABCD2E4_aP18_2_i_i_i_2i_7i:Br-C-K-N-O, expected KCBrN2O7 to be KCBr(NO2)2" +mp-600177,KH13CBrNO7,-5.1850362991,-1.0616676633,0.2344547682,0.2344547682,GGA,P2_1/c,ABC13DEF7_mP96_14_e_e_13e_e_e_7e:Br-C-H-K-N-O,96.0,"Invalid WP multiplicities - ABC13DEF7_mP96_14_e_e_48e_e_e_25e:Br-C-H-K-N-O, expected KH48CBrNO25 to be KH13CBrNO7" +mp-600154,K2CuH8(CO3)4,-6.2927586481,-1.4876942249,0.0731586774,0.0731586774,GGA,P2_1/c,A4BC8D2E12_mP54_14_2e_a_4e_e_6e:C-Cu-H-K-O,54.0,"Invalid WP multiplicities - A4BC8D2E12_mP54_14_5e_a_12e_e_23e:C-Cu-H-K-O, expected K2CuH24(C5O23)2 to be K2CuH8(CO3)4" +mp-1200256,AgCS2(O2F)3,-5.876124979,-1.5877641791,0.1579048961,0.1579048961,GGA,P2_1/c,ABC3D6E2_mP52_14_e_e_3e_6e_2e:Ag-C-F-O-S,52.0,ABC3D6E2_mP52_14_e_e_3e_6e_2e:Ag-C-F-O-S +mp-605676,AgH8C7S2O2F7,-5.6001323765,-0.9289600528,0.2579850379,0.2579850379,GGA,Pca2_1,AB7C7D8E2F2_oP108_29_a_7a_7a_8a_2a_2a:Ag-C-F-H-O-S,108.0,"Invalid WP multiplicities - AB7C7D8E2F2_oP108_29_a_27a_27a_30a_4a_6a:Ag-C-F-H-O-S, expected AgH30C27S6O4F27 to be AgH8C7S2O2F7" +mp-1204104,SiAgH16C7S3(OF)3,-5.2725290888,-0.5629407995,0.3253072067,0.3253072067,GGA,C2/c,AB7C3D16E3F3G_mC272_15_2e_7f_3f_16f_3f_3f_f:Ag-C-F-H-O-S-Si,136.0,AB7C3D16E3F3G_mC272_15_2e_7f_3f_16f_3f_3f_f:Ag-C-F-H-O-S-Si +mp-1215075,AgH2C7O3F5,-6.5241203568,-1.0454466061,0.247324064,0.247324064,GGA,P2_1/c,AB7C5D2E3_mP72_14_e_7e_5e_2e_3e:Ag-C-F-H-O,72.0,AB7C5D2E3_mP72_14_e_7e_5e_2e_3e:Ag-C-F-H-O +mp-605808,AgH8C4S3(OF)3,-5.2896949844,-0.7500186675,0.332256745,0.332256745,GGA,P2_1/c,AB4C3D8E3F3_mP176_14_2e_8e_6e_16e_6e_6e:Ag-C-F-H-O-S,176.0,"Invalid WP multiplicities - AB4C3D8E3F3_mP176_14_6e_28e_20e_60e_22e_20e:Ag-C-F-H-O-S, expected Ag3H30C14S10O11F10 to be AgH8C4S3(OF)3" +mp-555250,AgH9C7S2(OF)4,-5.7980991407,-0.8472354628000001,0.2516199403,0.2516199403,GGA,P-1,AB7C4D9E4F2_aP54_2_i_7i_4i_9i_4i_2i:Ag-C-F-H-O-S,54.0,"Invalid WP multiplicities - AB7C4D9E4F2_aP54_2_i_14i_7i_16i_7i_3i:Ag-C-F-H-O-S, expected AgH16C14S3(OF)7 to be AgH9C7S2(OF)4" +mp-559423,AgH8C5S2O2F3,-5.4916995982,-0.7289183656,0.2395463969,0.2395463969,GGA,Pca2_1,AB5C3D8E2F2_oP84_29_a_5a_3a_8a_2a_2a:Ag-C-F-H-O-S,84.0,"Invalid WP multiplicities - AB5C3D8E2F2_oP84_29_a_17a_9a_31a_4a_6a:Ag-C-F-H-O-S, expected AgH31C17S6O4F9 to be AgH8C5S2O2F3" +mp-1188917,AgCS(OF)3,-5.6702517917,-1.5844546362,0.1527080398,0.1527080398,GGA,R-3,ABC3D3E_hR54_148_c_c_f_f_c:Ag-C-F-O-S,18.0,ABC3D3E_hR54_148_c_c_f_f_c:Ag-C-F-O-S +mp-1201229,SiH2CS(OF)3,-5.6153699441,-1.419880079,0.7452133058,0.7452133058,GGA,P2_1/c,AB3C2D3EF_mP44_14_e_3e_2e_3e_e_e:C-F-H-O-S-Si,44.0,AB3C2D3EF_mP44_14_e_3e_2e_3e_e_e:C-F-H-O-S-Si +mp-557010,CdAs2S18N12(OF2)6,-5.4189291251,-0.7649478868,0.3006853702,0.3006853702,GGA,P-1,A2BC12D12E6F18_aP51_2_i_a_6i_6i_3i_9i:As-Cd-F-N-O-S,51.0,"Invalid WP multiplicities - A2BC12D12E6F18_aP51_2_i_a_8i_11i_6i_17i:As-Cd-F-N-O-S, expected CdAs2S34N22(O3F4)4 to be CdAs2S18N12(OF2)6" +mp-1013726,Cd4SF6,-3.9361883645,-2.1819262998,0.0084474414,0.0084474414,GGA,P4_2/nmc,A4B6C_tP22_137_g_df_a:Cd-F-S,22.0,A4B6C_tP22_137_g_df_a:Cd-F-S +mp-1021492,Cd4SF6,-3.9169293618,-2.1626672971,0.0277064441,0.0277064441,GGA,R-3m,A4B6C_hR33_166_2c_3c_a:Cd-F-S,11.0,A4B6C_hR33_166_2c_3c_a:Cd-F-S +mp-541677,Cd2AsO4F,-5.3799111953,-1.8545197281,0.0,-0.0351111545,GGA,C2/c,AB2CD4_mC64_15_f_2f_f_4f:As-Cd-F-O,32.0,AB2CD4_mC64_15_f_2f_f_4f:As-Cd-F-O +mp-651073,CdAs2C4SN4(OF6)2,-5.9791849422,-1.461133283,0.2280779377,0.2280779377,GGA,Pnma,A2B4CD12E4F2G_oP104_62_2c_2cd_c_4c4d_2cd_2c_c:As-C-Cd-F-N-O-S,104.0,"Invalid WP multiplicities - A2B4CD12E4F2G_oP104_62_3c_6c3d_c_16c24d_7c4d_6c_c:As-C-Cd-F-N-O-S, expected CdAs3C12SN15(O3F32)2 to be CdAs2C4SN4(OF6)2" +mp-558288,CdAs2S2(OF3)4,-5.1191672476,-2.2030468305,0.0379424619,0.0379424619,GGA,Fdd2,A2BC12D4E2_oF168_43_b_a_6b_2b_b:As-Cd-F-O-S,42.0,"Invalid WP multiplicities - A2BC12D4E2_oF168_43_b_a_23b_4b_b:As-Cd-F-O-S, expected CdAs2S2(O4F23)2 to be CdAs2S2(OF3)4" +mp-1205035,AgH28S8Br2(N3O4)3,-5.1452470485,-0.6716593865,0.2508583555,0.2508583555,GGA,I-42d,AB2C28D9E12F8_tI240_122_a_d_7e_bcde_3e_2e:Ag-Br-H-N-O-S,120.0,AB2C28D9E12F8_tI240_122_a_d_7e_bcde_3e_2e:Ag-Br-H-N-O-S +mp-1214977,AgC4(BrO)2,-6.3509692178,-0.4902301005,0.2983955625,0.2983955625,GGA,P2_1/c,AB2C4D2_mP36_14_e_2e_4e_2e:Ag-Br-C-O,36.0,AB2C4D2_mP36_14_e_2e_4e_2e:Ag-Br-C-O +mp-1202797,Ag2H12C3S3(BrN3)2,-5.4277853073,-0.4421354204,0.0340550049,0.0340550049,GGA,P2/c,A2B2C3D12E6F3_mP56_13_g_g_eg_6g_3g_eg:Ag-Br-C-H-N-S,56.0,A2B2C3D12E6F3_mP56_13_g_g_eg_6g_3g_eg:Ag-Br-C-H-N-S +mp-1196575,H8C2SBrNO,-5.0090438022,-0.3967722895,0.2586453838,0.2586453838,GGA,Pbcn,AB2C8DEF_oP112_60_2c_2d_8d_d_d_d:Br-C-H-N-O-S,112.0,AB2C8DEF_oP112_60_2c_2d_8d_d_d_d:Br-C-H-N-O-S +mp-1202066,AgH8C2S2BrN4,-5.5252271075,-0.4361380457,0.0225745777,0.0225745777,GGA,P2_1/c,ABC2D8E4F2_mP144_14_2e_2e_4e_16e_8e_4e:Ag-Br-C-H-N-S,144.0,ABC2D8E4F2_mP144_14_2e_2e_4e_16e_8e_4e:Ag-Br-C-H-N-S +mp-1102571,AgH3BrN,-4.36180275,-0.5450931844,0.043512921,0.043512921,GGA,P2_1/m,ABC3D_mP12_11_e_e_ef_e:Ag-Br-H-N,12.0,ABC3D_mP12_11_e_e_ef_e:Ag-Br-H-N +mp-556345,Ag2BrNO3,-5.0129250793,-0.6708248799000001,0.0108651657,0.0108651657,GGA,Pnma,A2BCD3_oP28_62_2c_c_c_cd:Ag-Br-N-O,28.0,"Invalid WP multiplicities - A2BCD3_oP28_62_5c_c_c_3c3d:Ag-Br-N-O, expected Ag5BrNO9 to be Ag2BrNO3" +mp-1224979,H12C4S2BrNO,-5.0410924938,-0.24411696,0.2741437511,0.2741437511,GGA,Pnma,AB4C12DEF2_oP84_62_c_2d_6d_c_c_2c:Br-C-H-N-O-S,84.0,AB4C12DEF2_oP84_62_c_2d_6d_c_c_2c:Br-C-H-N-O-S +mp-849798,AgH36S8Br2(N3O4)3,-5.1889119548,-0.842484483,0.0696909427,0.0696909427,GGA,I-42d,AB2C36D9E12F8_tI272_122_a_d_9e_bcde_3e_2e:Ag-Br-H-N-O-S,136.0,"Invalid WP multiplicities - AB2C36D9E12F8_tI272_122_a_d_46e_2b3c3d3e_16e_2e:Ag-Br-H-N-O-S, expected AgH184S8Br2(N13O32)2 to be AgH36S8Br2(N3O4)3" +mp-1200682,AgH18C4S4BrN8O,-5.6285535122,-0.4784518178,0.0227359178,0.0227359178,GGA,P2_1/c,ABC4D18E8FG4_mP148_14_e_e_4e_18e_8e_e_4e:Ag-Br-C-H-N-O-S,148.0,ABC4D18E8FG4_mP148_14_e_e_4e_18e_8e_e_4e:Ag-Br-C-H-N-O-S +mp-725087,Ag2C4Br3N,-4.504890189,1.0526452002,1.3745191955,1.3745191955,GGA,Pnma,A2B3C4D_oP40_62_d_3c_2cd_c:Ag-Br-C-N,40.0,A2B3C4D_oP40_62_d_3c_2cd_c:Ag-Br-C-N +mp-729907,NiH48C16S8(NO7)2,-5.3034350446000005,-0.4123354327,0.3413180737,0.3413180737,GGA+U,P-1,A16B48C2DE14F8_aP89_2_8i_24i_i_a_7i_4i:C-H-N-Ni-O-S,89.0,A16B48C2DE14F8_aP89_2_8i_24i_i_a_7i_4i:C-H-N-Ni-O-S +mp-1190493,NiH5CN(ClO)2,-5.494437575,-1.0028227363,0.0137881245,0.0137881245,GGA+U,C2/c,AB2C5DEF2_mC48_15_e_f_e2f_e_a_f:C-Cl-H-N-Ni-O,48.0,AB2C5DEF2_mC48_15_e_f_e2f_e_a_f:C-Cl-H-N-Ni-O +mp-695946,NiH16C4S4(N4Cl)2,-5.7070831609,-0.4524189449,0.0586890758,0.0586890758,GGA,I4,A4B2C16D8EF4_tI70_79_c_2a_4c_2c_a_c:C-Cl-H-N-Ni-S,35.0,A4B2C16D8EF4_tI70_79_c_2a_4c_2c_a_c:C-Cl-H-N-Ni-S +mp-1195490,NiH32C4S2(NO8)2,-5.4847328526,-1.0048216061,0.1253763745,0.1253763745,GGA+U,Pbca,A4B32C2DE16F2_oP228_61_2c_16c_c_a_8c_c:C-H-N-Ni-O-S,228.0,A4B32C2DE16F2_oP228_61_2c_16c_c_a_8c_c:C-H-N-Ni-O-S +mp-728396,NiH24C2S2(N3O7)2,-5.8457619537,-1.0864067703,0.0297687814,0.0297687814,GGA+U,P2_1/c,A2B24C6DE14F2_mP98_14_e_12e_3e_a_7e_e:C-H-N-Ni-O-S,98.0,A2B24C6DE14F2_mP98_14_e_12e_3e_a_7e_e:C-H-N-Ni-O-S +mp-1220589,NiH8S2(NO2)4,-5.9158085413,-0.9543157516,0.2089445487,0.2089445487,GGA+U,P-1,A8B4CD8E2_aP23_2_4i_2i_a_4i_i:H-N-Ni-O-S,23.0,A8B4CD8E2_aP23_2_4i_2i_a_4i_i:H-N-Ni-O-S +mp-554559,NiH32C8S4(NO5)2,-5.3973968784,-0.6454254663,0.1787087193,0.1787087193,GGA+U,P2_1/c,A8B32C2DE10F4_mP114_14_4e_16e_e_a_5e_2e:C-H-N-Ni-O-S,114.0,"Invalid WP multiplicities - A8B32C2DE10F4_mP114_14_14e_60e_e_a_15e_7e:C-H-N-Ni-O-S, expected NiH120C28S14(NO15)2 to be NiH32C8S4(NO5)2" +mp-818718,NiH44C12N8(ClO5)2,-3.2361152962,1.7724559817,2.5147080769,2.5147080769,GGA+U,P-1,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O,77.0,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O +mp-1180427,NiH44C12N8(ClO5)2,-5.4411917909,-0.432620513,0.3096315822,0.3096315822,GGA+U,P-1,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O,77.0,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O +mp-1196382,NiH44C12N8(ClO5)2,-5.4294039934,-0.4208327154,0.3214193798,0.3214193798,GGA+U,P-1,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O,77.0,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O +mp-1348675,NiH44C12N8(ClO5)2,-3.8696697325,1.1389015455,1.8811536407,1.8811536407,GGA+U,P-1,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O,77.0,A12B2C44D8EF10_aP77_2_6i_i_22i_4i_a_5i:C-Cl-H-N-Ni-O +mp-1196356,NiH24C6S6(N7O3)2,-5.9090552761,-0.4040146597,0.2542457164,0.2542457164,GGA+U,C2/c,A6B24C14DE6F6_mC228_15_3f_12f_7f_c_3f_3f:C-H-N-Ni-O-S,114.0,A6B24C14DE6F6_mC228_15_3f_12f_7f_a_3f_3f:C-H-N-Ni-O-S +mp-696909,NiH16C2S3N6O7,-5.7778781849000005,-0.7614146273,0.1586784651,0.1586784651,GGA+U,P2_1/m,A2B16C6DE7F3_mP70_11_f_2e7f_3f_a_3e2f_ef:C-H-N-Ni-O-S,70.0,A2B16C6DE7F3_mP70_11_f_2e7f_3f_a_3e2f_ef:C-H-N-Ni-O-S +mp-783904,NiH20S2(NO7)2,-5.5648601601,-1.2614194134,0.0221017249,0.0197539645,GGA+U,P2_1/c,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-S,78.0,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-S +mp-23912,NiH20S2(NO7)2,-5.586961885,-1.2835211383,0.0,-0.0023477604,GGA+U,P2_1/c,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-S,78.0,A20B2CD14E2_mP78_14_10e_e_a_7e_e:H-N-Ni-O-S +mp-600212,NiH14C3NCl3O2,-5.0370545498,-0.672897045,0.0484260099,0.0484260099,GGA+U,Pnma,A3B3C14DEF2_oP96_62_cd_3c_2c6d_c_a_d:C-Cl-H-N-Ni-O,96.0,"Invalid WP multiplicities - A3B3C14DEF2_oP96_62_3c4d_8c_8c45d_c_a_d:C-Cl-H-N-Ni-O, expected NiH98C11N(Cl4O)2 to be NiH14C3NCl3O2" +mp-1180373,NiH14C3NCl3O2,-4.81441267,-0.4502551652,0.2710678897,0.2710678897,GGA+U,Pnma,A3B3C14DEF2_oP96_62_cd_3c_2c6d_c_a_d:C-Cl-H-N-Ni-O,96.0,"Invalid WP multiplicities - A3B3C14DEF2_oP96_62_3c4d_8c_8c45d_c_a_d:C-Cl-H-N-Ni-O, expected NiH98C11N(Cl4O)2 to be NiH14C3NCl3O2" +mp-1211120,NiH6S2(NO4)2,-5.2714835647000005,-0.5001208161,0.8133030547000001,0.8133030547000001,GGA+U,P2_1/c,A6B2CD8E2_mP38_14_3e_e_a_4e_e:H-N-Ni-O-S,38.0,A6B2CD8E2_mP38_14_3e_e_a_4e_e:H-N-Ni-O-S +mp-1180042,Ni2C5(Cl2O)2,-5.996662425,-0.2281143569,0.658877475,0.658877475,GGA+U,P-1,A5B4C2D2_aP52_2_10i_8i_4i_4i:C-Cl-Ni-O,52.0,"Invalid WP multiplicities - A5B4C2D2_aP52_2_19i_13i_8i_7i:C-Cl-Ni-O, expected Ni8C19Cl13O7 to be Ni2C5(Cl2O)2" +mp-1205229,NiH24C4S4N8(ClO4)2,-5.4915810682,-0.5772954681,0.3082611126,0.3082611126,GGA+U,P-1,A4B2C24D8EF8G4_aP51_2_2i_i_12i_4i_a_4i_2i:C-Cl-H-N-Ni-O-S,51.0,A4B2C24D8EF8G4_aP51_2_2i_i_12i_4i_a_4i_2i:C-Cl-H-N-Ni-O-S +mp-849432,NiH12S2(NO5)2,-5.7039926583,-1.2260065133,0.0554537099,0.0554537099,GGA+U,P-1,A12B2CD10E2_aP27_2_6i_i_a_5i_i:H-N-Ni-O-S,108.0,A12B2CD10E2_aP27_2_6i_i_a_5i_i:H-N-Ni-O-S +mp-604327,NiH18C4S6(N2O)4,-5.693261488,-0.4478643928,0.2202069157,0.2202069157,GGA+U,P2_12_12_1,A4B18C8DE4F6_oP164_19_4a_18a_8a_a_4a_6a:C-H-N-Ni-O-S,164.0,"Invalid WP multiplicities - A4B18C8DE4F6_oP164_19_15a_70a_26a_a_12a_22a:C-H-N-Ni-O-S, expected NiH70C15S22(N13O6)2 to be NiH18C4S6(N2O)4" +mp-744395,NiH18C4S6(N2O)4,-5.7536679281000005,-0.5082708328000001,0.1598004756,0.1598004756,GGA+U,P2_12_12_1,A4B18C8DE4F6_oP164_19_4a_18a_8a_a_4a_6a:C-H-N-Ni-O-S,164.0,A4B18C8DE4F6_oP164_19_4a_18a_8a_a_4a_6a:C-H-N-Ni-O-S +mp-1202313,NiH14C2N10(ClO3)2,-6.0055754927,-0.6204958604,0.2277205498,0.2277205498,GGA+U,P2_1/c,A2B2C14D10EF6_mP70_14_e_e_7e_5e_a_3e:C-Cl-H-N-Ni-O,70.0,A2B2C14D10EF6_mP70_14_e_e_7e_5e_a_3e:C-Cl-H-N-Ni-O +mp-1197156,NiH20C12S2(NO4)2,-6.098016464,-0.566948847,0.2200433356,0.2200433356,GGA+U,P2_1/c,A12B20C2DE8F2_mP90_14_6e_10e_e_a_4e_e:C-H-N-Ni-O-S,90.0,A12B20C2DE8F2_mP90_14_6e_10e_e_a_4e_e:C-H-N-Ni-O-S +mp-1199814,NiH48C18S6(N7O3)2,-5.708449227,-0.2680543224,0.2599787135,0.2599787135,GGA+U,R-3c,A18B48C14DE6F6_hR558_167_3f_8f_c2f_a_f_f:C-H-N-Ni-O-S,186.0,A18B48C14DE6F6_hR558_167_3f_8f_c2f_a_f_f:C-H-N-Ni-O-S +mp-720215,K7H12Pt4C16(N8O3)2,-6.6045343467,-0.3177681599,0.3410499029,0.3410499029,GGA,P1,A16B12C7D16E6F4_aP61_1_16a_12a_7a_16a_6a_4a:C-H-K-N-O-Pt,61.0,A16B12C7D16E6F4_aP61_1_16a_12a_7a_16a_6a_4a:C-H-K-N-O-Pt +mp-720283,K2H6PtC4N4O3,-6.4188249508,-0.7313751864,0.1078720463,0.1078720463,GGA,Pbcn,A4B6C2D4E3F_oP80_60_2d_3d_d_2d_cd_a:C-H-K-N-O-Pt,80.0,A4B6C2D4E3F_oP80_60_2d_3d_d_2d_cd_a:C-H-K-N-O-Pt +mp-1178176,HgPtO2,-4.7437051,-0.6766573231,0.0290657506,0.0290657506,GGA,C2/m,AB2C_mC8_12_a_i_d:Hg-O-Pt,4.0,AB2C_mC8_12_a_i_c:Hg-O-Pt +mp-754538,HgPtO2,-4.7491410175,-0.6820932406,0.0236298331,0.0236298331,GGA,R-3m,AB2C_hR12_166_a_c_b:Hg-O-Pt,4.0,AB2C_hR12_166_a_c_b:Hg-O-Pt +mp-1200735,K2HgH4PtC6(N3O)2,-6.6228918727,-0.3751257052,0.230356602,0.230356602,GGA,P2_1/c,A6B4CD2E6F2G_mP44_14_3e_2e_a_e_3e_e_c:C-H-Hg-K-N-O-Pt,44.0,A6B4CD2E6F2G_mP44_14_3e_2e_a_e_3e_e_c:C-H-Hg-K-N-O-Pt +mp-755465,Hg2Pt2O7,-5.15279554,-0.8458456901,0.0,-0.1077124376,GGA,Fd-3m,A2B7C2_cF88_227_c_af_d:Hg-O-Pt,22.0,"Invalid WP multiplicities - A2B7C2_cF88_227_c_2a3f_d:Hg-O-Pt, expected HgPtO10 to be Hg2Pt2O7" +mp-1197648,K2Pt(C2O5)2,-6.7658235629,-1.1967953102,0.5730590491,0.5730590491,GGA,P2_1/c,A4B2C10D_mP34_14_2e_e_5e_a:C-K-O-Pt,34.0,A4B2C10D_mP34_14_2e_e_5e_a:C-K-O-Pt +mp-561470,AuS5N5Cl4,-4.8208369837,0.0480131896,0.3247934217,0.3247934217,GGA,P2_1/m,AB4C5D5_mP30_11_e_2f_e2f_e2f:Au-Cl-N-S,30.0,"Invalid WP multiplicities - AB4C5D5_mP30_11_e_5f_2e7f_2e6f:Au-Cl-N-S, expected AuS14(N8Cl5)2 to be AuS5N5Cl4" +mp-1200739,H8AuC2S2N4Cl,-5.5807862561,-0.450761954,0.0280024281,0.0280024281,GGA,C2/c,AB2CD8E4F2_mC72_15_a_f_e_4f_2f_f:Au-C-Cl-H-N-S,36.0,AB2CD8E4F2_mC72_15_c_f_e_4f_2f_f:Au-C-Cl-H-N-S +mp-721059,H8AuC2S2N4ClO4,-5.578442424,-0.4817518656,0.3973653388,0.3973653388,GGA,Pcca,AB2CD8E4F4G2_oP88_54_d_f_c_4f_2f_2f_f:Au-C-Cl-H-N-O-S,88.0,AB2CD8E4F4G2_oP88_54_d_f_c_4f_2f_2f_f:Au-C-Cl-H-N-O-S +mp-1201227,H24AuC16S2N3O4,-5.9790474016,-0.2705055153,0.2099845063,0.2099845063,GGA,P-1,AB16C24D3E4F2_aP100_2_i_16i_24i_3i_4i_2i:Au-C-H-N-O-S,100.0,AB16C24D3E4F2_aP100_2_i_16i_24i_3i_4i_2i:Au-C-H-N-O-S +mp-705526,H16AuC6S2N4ClO4,-5.5199293136000005,-0.3380568838,0.3817949615,0.3817949615,GGA,Pbcn,AB6CD16E4F4G2_oP136_60_c_3d_c_8d_2d_2d_d:Au-C-Cl-H-N-O-S,136.0,AB6CD16E4F4G2_oP136_60_c_3d_c_8d_2d_2d_d:Au-C-Cl-H-N-O-S +mp-1224626,H6AuN2ClO4,-4.9408926502,-0.516712677,0.4585513908,0.4585513908,GGA,P-1,ABC6D2E4_aP56_2_bci_2i_12i_4i_8i:Au-Cl-H-N-O,56.0,ABC6D2E4_aP56_2_bci_2i_12i_4i_8i:Au-Cl-H-N-O +mp-1199405,H16AuC12S2N3O4,-6.1720661471,-0.3465234107,0.2171527809,0.2171527809,GGA,P-1,AB12C16D3E4F2_aP76_2_i_12i_16i_3i_4i_2i:Au-C-H-N-O-S,76.0,AB12C16D3E4F2_aP76_2_i_12i_16i_3i_4i_2i:Au-C-H-N-O-S +mp-1238563,H16AuC12S2N3O4,-6.1683736966,-0.3428309602,0.2208452314,0.2208452314,GGA,P-1,AB12C16D3E4F2_aP76_2_i_12i_16i_3i_4i_2i:Au-C-H-N-O-S,76.0,AB12C16D3E4F2_aP76_2_i_12i_16i_3i_4i_2i:Au-C-H-N-O-S +mp-1197042,NaPH6C2(NO)4,-6.6062637025,-1.1239165025,0.031511215,0.031511215,GGA,C2/c,A2B6C4DE4F_mC72_15_f_3f_2f_a_2f_e:C-H-N-Na-O-P,36.0,A2B6C4DE4F_mC72_15_f_3f_2f_a_2f_e:C-H-N-Na-O-P +mp-1202889,NaZnPH2(CO3)2,-6.5262139678,-1.6863303714,0.1589655677,0.1589655677,GGA,Pbca,A2B2CD6EF_oP104_61_2c_2c_c_6c_c_c:C-H-Na-O-P-Zn,104.0,A2B2CD6EF_oP104_61_2c_2c_c_6c_c_c:C-H-Na-O-P-Zn +mp-1197223,Na4ZnP4H16C2(NO8)2,-5.9474016504,-1.5748680561,0.0890750644,0.0890750644,GGA,P-1,A2B16C2D4E16F4G_aP45_2_i_8i_i_2i_8i_2i_a:C-H-N-Na-O-P-Zn,45.0,A2B16C2D4E16F4G_aP45_2_i_8i_i_2i_8i_2i_a:C-H-N-Na-O-P-Zn +mp-771264,Na3ZnPCO7,-6.4826835692,-2.2906752255,0.0094100277,0.0094100277,GGA,P2_1,AB3C7DE_mP26_4_a_3a_7a_a_a:C-Na-O-P-Zn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_4_a_5a_13a_a_a:C-Na-O-P-Zn, expected Na5ZnPCO13 to be Na3ZnPCO7" +mp-767545,Na3ZnPCO7,-6.4916791585,-2.2996708147,0.0004144385,0.0004144385,GGA,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:C-Na-O-P-Zn,26.0,"Invalid WP multiplicities - AB3C7DE_mP26_11_e_2ef_9e2f_e_e:C-Na-O-P-Zn, expected Na4ZnPCO13 to be Na3ZnPCO7" +mp-772852,Na3Zn4P4H4NO16,-6.3017883781,-2.1857202896,0.0070658959,0.0070658959,GGA,Pbcn,A4BC3D16E4F4_oP128_60_2d_c_cd_8d_2d_2d:H-N-Na-O-P-Zn,128.0,"Invalid WP multiplicities - A4BC3D16E4F4_oP128_60_5d_c_2c2d_29d_5d_5d:H-N-Na-O-P-Zn, expected Na6Zn10P10H10NO58 to be Na3Zn4P4H4NO16" +mp-1029357,NaZnN,-3.7497751167,-0.1101871739,0.0742348555,0.0742348555,GGA,P6_3mc,ABC_hP6_186_b_b_a:N-Na-Zn,6.0,ABC_hP6_186_b_b_a:N-Na-Zn +mp-1200262,Na4ZnP3H32C3NO22,-5.5755822233,-1.3906333022,0.0669411325,0.0669411325,GGA,P-1,A3B32CD4E22F3G_aP132_2_3i_32i_i_4i_22i_3i_i:C-H-N-Na-O-P-Zn,132.0,A3B32CD4E22F3G_aP132_2_3i_32i_i_4i_22i_3i_i:C-H-N-Na-O-P-Zn +mp-696990,NaPH3C2N3O4,-6.6439343238,-0.9176788566,0.4126372544,0.4126372544,GGA,P2_1/c,A2B3C3DE4F_mP56_14_2e_3e_3e_e_4e_e:C-H-N-Na-O-P,56.0,A2B3C3DE4F_mP56_14_2e_3e_3e_e_4e_e:C-H-N-Na-O-P +mp-765959,NaPH3C2N3O4,-7.0233091946,-1.2970537275,0.0332623835,0.0332623835,GGA,P2_1/c,A2B3C3DE4F_mP56_14_2e_3e_3e_e_4e_e:C-H-N-Na-O-P,56.0,"Invalid WP multiplicities - A2B3C3DE4F_mP56_14_5e_10e_9e_e_15e_e:C-H-N-Na-O-P, expected NaPH10C5(N3O5)3 to be NaPH3C2N3O4" +mp-1196491,SbHSF10,-4.645454885,-2.2783035906,0.0,-0.0227879068,GGA,P2_1/c,A10BCD_mP52_14_10e_e_e_e:F-H-S-Sb,52.0,A10BCD_mP52_14_10e_e_e_e:F-H-S-Sb +mp-1200711,Sb2H8C3SCl6O5,-5.0454991934,-0.9236223654,0.2435084354,0.2435084354,GGA,P2_1/c,A3B6C8D5EF2_mP100_14_3e_6e_8e_5e_e_2e:C-Cl-H-O-S-Sb,100.0,A3B6C8D5EF2_mP100_14_3e_6e_8e_5e_e_2e:C-Cl-H-O-S-Sb +mp-1204034,SbC2SCl3O,-4.8026697233,-0.1507846254,0.908781489,0.908781489,GGA,P2_1/c,A2B3CDE_mP64_14_4e_6e_2e_2e_2e:C-Cl-O-S-Sb,64.0,A2B3CDE_mP64_14_4e_6e_2e_2e_2e:C-Cl-O-S-Sb +mp-695900,SbHCSO3F8,-5.4441364727,-2.0428871048,0.1247848347,0.1247848347,GGA,P2_1/c,AB8CD3EF_mP60_14_e_8e_e_3e_e_e:C-F-H-O-S-Sb,60.0,AB8CD3EF_mP60_14_e_8e_e_3e_e_e:C-F-H-O-S-Sb +mp-557900,SbCSCl2F9,-4.735625472,-1.9931611415,0.0495943069,0.0495943069,GGA,P2_1/c,AB2C9DE_mP56_14_e_2e_9e_e_e:C-Cl-F-S-Sb,56.0,"Invalid WP multiplicities - AB2C9DE_mP56_14_e_8e_34e_e_e:C-Cl-F-S-Sb, expected SbCS(Cl4F17)2 to be SbCSCl2F9" +mp-1203356,HC2SClOF2,-5.6799197784,-1.104333503,0.1683504249,0.1683504249,GGA,C2/c,A2BC2DEF_mC64_15_2f_f_2f_f_f_f:C-Cl-F-H-O-S,32.0,A2BC2DEF_mC64_15_2f_f_2f_f_f_f:C-Cl-F-H-O-S +mp-1196706,SbH2CS(OF3)3,-5.3409513565,-2.0278369135,0.0990713321,0.0990713321,GGA,P-1,AB9C2D3EF_aP34_2_i_9i_2i_3i_i_i:C-F-H-O-S-Sb,34.0,AB9C2D3EF_aP34_2_i_9i_2i_3i_i_i:C-F-H-O-S-Sb +mp-727099,SbC4S2Cl3O2,-5.7070430848,-0.3107472226,0.6589165249000001,0.6589165249000001,GGA,P2_1/c,A4B3C2D2E_mP48_14_4e_3e_2e_2e_e:C-Cl-O-S-Sb,48.0,A4B3C2D2E_mP48_14_4e_3e_2e_2e_e:C-Cl-O-S-Sb +mp-1204218,Sb2H6CS(ClO)6,-4.9699319048,-1.2085307076,0.1677365935,0.1677365935,GGA,P-1,AB6C6D6EF2_aP88_2_2i_12i_12i_12i_2i_4i:C-Cl-H-O-S-Sb,88.0,AB6C6D6EF2_aP88_2_2i_12i_12i_12i_2i_4i:C-Cl-H-O-S-Sb +mp-1219693,Sb2H3C3SCl6O5F3,-5.2019262528,-1.2098511494,0.3158881215,0.3158881215,GGA,P-1,A3B6C3D3E5FG2_aP46_2_3i_6i_3i_3i_5i_i_2i:C-Cl-F-H-O-S-Sb,46.0,"Invalid WP multiplicities - A3B6C3D3E5FG2_aP46_2_3i_12i_5i_3i_7i_i_4i:C-Cl-F-H-O-S-Sb, expected Sb4H3C3SCl12O7F5 to be Sb2H3C3SCl6O5F3" +mp-1179614,SbH3S(O2F3)2,-5.3364621547,-2.0231782952,0.0,-0.0098685959,GGA,P-1,A6B3C4DE_aP30_2_6i_3i_4i_i_i:F-H-O-S-Sb,30.0,A6B3C4DE_aP30_2_6i_3i_4i_i_i:F-H-O-S-Sb +mp-1197346,SbH2SO3F7,-5.2154060688,-2.1245973471,0.0056863651,0.0056863651,GGA,P2_1/c,A7B2C3DE_mP56_14_7e_2e_3e_e_e:F-H-O-S-Sb,56.0,A7B2C3DE_mP56_14_7e_2e_3e_e_e:F-H-O-S-Sb +mp-1201024,Sb2HCSCl6O5F3,-5.0242020522,-1.5202576152,0.1437015192,0.1437015192,GGA,P2_1/c,AB6C3DE5FG2_mP76_14_e_6e_3e_e_5e_e_2e:C-Cl-F-H-O-S-Sb,76.0,AB6C3DE5FG2_mP76_14_e_6e_3e_e_5e_e_2e:C-Cl-F-H-O-S-Sb +mp-1202925,Sb2H5C3SCl6O5F3,-5.1241072788,-1.1799801001,0.2880874155,0.2880874155,GGA,P2_1/m,A3B6C3D5E5FG2_mP50_11_3e_3f_ef_e2f_3ef_e_f:C-Cl-F-H-O-S-Sb,50.0,A3B6C3D5E5FG2_mP50_11_3e_3f_ef_e2f_3ef_e_f:C-Cl-F-H-O-S-Sb +mp-561214,SbH3CSCl6O,-4.2340884473,-0.8717651084,0.1567594974,0.1567594974,GGA,P2_1/c,AB6C3DEF_mP52_14_e_6e_3e_e_e_e:C-Cl-H-O-S-Sb,52.0,"Invalid WP multiplicities - AB6C3DEF_mP52_14_e_23e_10e_e_e_e:C-Cl-H-O-S-Sb, expected SbH10CSCl23O to be SbH3CSCl6O" +mp-698527,SbH3C2(O2F3)2,-5.9161256906,-1.9148670025,0.0881836497,0.0881836497,GGA,Cc,A2B6C3D4E_mC64_9_2a_6a_3a_4a_a:C-F-H-O-Sb,32.0,A2B6C3D4E_mC64_9_2a_6a_3a_4a_a:C-F-H-O-Sb +mp-1179607,SbH2C(O2F3)2,-5.5412587934,-1.8699196882,0.0473591347,0.0473591347,GGA,C2/c,AB6C2D4E_mC112_15_f_6f_2f_4f_f:C-F-H-O-Sb,56.0,AB6C2D4E_mC112_15_f_6f_2f_4f_f:C-F-H-O-Sb +mp-1195948,AgHPbC2SN2O,-6.3675146103,-0.3506936623,0.2454562076,0.2454562076,GGA,Pnma,AB2CD2EFG_oP36_62_c_2c_c_2c_c_c_c:Ag-C-H-N-O-Pb-S,36.0,AB2CD2EFG_oP36_62_c_2c_c_2c_c_c_c:Ag-C-H-N-O-Pb-S +mp-759183,K2Mg(H2N)4,-4.8243594403,-0.5371017067,0.0,-0.0092819418,GGA,P2_1/c,A8B2CD4_mP60_14_8e_2e_e_4e:H-K-Mg-N,60.0,"Invalid WP multiplicities - A8B2CD4_mP60_14_29e_3e_e_15e:H-K-Mg-N, expected K3MgH29N15 to be K2Mg(H2N)4" +mp-1224548,K3Na7Mg2H12S6(NO18)2,-5.9581487935,-1.898227776,0.0,-0.0004372033,GGA,R3,A12B3C2D2E7F36G6_hR204_146_4b_b_2a_2a_a2b_12b_2b:H-K-Mg-N-Na-O-S,68.0,A12B3C2D2E7F36G6_hR204_146_4b_b_2a_2a_a2b_12b_2b:H-K-Mg-N-Na-O-S +mp-780565,Na6Cu2C4SO16,-6.5753794819,-1.8742865054,0.0435520519,0.0435520519,GGA,Fd-3,A4B2C6D16E_cF232_203_e_c_f_eg_b:C-Cu-Na-O-S,58.0,"Invalid WP multiplicities - A4B2C6D16E_cF232_203_e_c_f_6e7g_b:C-Cu-Na-O-S, expected Na6Cu2C4SO108 to be Na6Cu2C4SO16" +mp-772726,Na3CuCSO7,-6.1853212338,-1.8731120886,0.0895622252,0.0895622252,GGA,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:C-Cu-Na-O-S,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:C-Cu-Na-O-S, expected Na4CuCSO13 to be Na3CuCSO7" +mp-772118,NaCuCSO7,-6.5366188741,-1.6808308467000002,0.0294363787,0.0294363787,GGA,P2_1,ABCD7E_mP22_4_a_a_a_7a_a:C-Cu-Na-O-S,22.0,"Invalid WP multiplicities - ABCD7E_mP22_4_a_a_a_13a_a:C-Cu-Na-O-S, expected NaCuCSO13 to be NaCuCSO7" +mp-779142,Na4Cu2C4SO16,-6.6903182285,-1.7389609792,0.0516034754,0.0516034754,GGA,Fddd,A4B2C4D16E_oF216_70_h_c_ef_4h_b:C-Cu-Na-O-S,54.0,"Invalid WP multiplicities - A4B2C4D16E_oF216_70_h_c_2e3f_21h_b:C-Cu-Na-O-S, expected Na10Cu2C4SO84 to be Na4Cu2C4SO16" +mp-1176404,Na2CuCSO7,-6.425391545,-1.8640420787,0.0258309233,0.0258309233,GGA,P2_1/m,ABC2D7E_mP24_11_e_e_f_5ef_e:C-Cu-Na-O-S,24.0,"Invalid WP multiplicities - ABC2D7E_mP24_11_e_e_f_9e2f_e:C-Cu-Na-O-S, expected Na2CuCSO13 to be Na2CuCSO7" +mp-722243,Na2CuH4(C2O5)2,-6.6166105119,-1.5358147729,0.0862846361,0.0862846361,GGA,P-1,A4BC4D2E10_aP21_2_2i_a_2i_i_5i:C-Cu-H-Na-O,21.0,A4BC4D2E10_aP21_2_2i_a_2i_i_5i:C-Cu-H-Na-O +mp-1414227,Na2CuH4(C2O5)2,-6.1983403014,-1.1175445624,0.5045548466,0.5045548466,GGA,P-1,A4BC4D2E10_aP21_2_2i_a_2i_i_5i:C-Cu-H-Na-O,21.0,A4BC4D2E10_aP21_2_2i_a_2i_i_5i:C-Cu-H-Na-O +mp-510474,Na2Cu3H8(CO2)8,-6.5048780257,-1.2329639101,0.1826705575,0.1826705575,GGA,P-1,A8B3C8D2E16_aP37_2_4i_ai_4i_i_8i:C-Cu-H-Na-O,37.0,A8B3C8D2E16_aP37_2_4i_ai_4i_i_8i:C-Cu-H-Na-O +mp-1412519,Na2Cu3H8(CO2)8,-4.1356445059,1.1362696096,2.5519040773,2.5519040773,GGA,P-1,A8B3C8D2E16_aP37_2_4i_ai_4i_i_8i:C-Cu-H-Na-O,37.0,A8B3C8D2E16_aP37_2_4i_ai_4i_i_8i:C-Cu-H-Na-O +mp-24228,Na2CuH6C2O9,-6.0762009148,-1.5722937691,0.0192344377,0.0192344377,GGA,P2_1/c,A2BC6D2E9_mP80_14_2e_e_6e_2e_9e:C-Cu-H-Na-O,80.0,A2BC6D2E9_mP80_14_2e_e_6e_2e_9e:C-Cu-H-Na-O +mp-1195054,Na4Cu4H18C8O23,-5.9970220529,-1.2538788781,0.1855589059,0.1855589059,GGA,P4_2/n,A8B4C18D4E23_tP114_86_2g_g_f4g_2e_af5g:C-Cu-H-Na-O,114.0,A8B4C18D4E23_tP114_86_2g_g_f4g_2e_af5g:C-Cu-H-Na-O +mp-1198442,Cu2PC2SO13,-5.8490733268,-0.5589443824,1.0707752891,1.0707752891,GGA,P2_1/c,A2B2C13DE_mP76_14_2e_2e_13e_e_e:C-Cu-O-P-S,76.0,A2B2C13DE_mP76_14_2e_2e_13e_e_e:C-Cu-O-P-S +mp-1198405,NaCuPH8C2SO8,-5.8288103149,-1.2768042525,0.191376813,0.191376813,GGA,P2_1/c,A2BC8DE8FG_mP88_14_2e_e_8e_e_8e_e_e:C-Cu-H-Na-O-P-S,88.0,A2BC8DE8FG_mP88_14_2e_e_8e_e_8e_e_e:C-Cu-H-Na-O-P-S +mp-1179994,NaH6CSNO3,-5.2047052188,-0.7262007587,0.3757363469,0.3757363469,GGA,R-3,AB6CDE3F_hR234_148_f_6f_f_f_3f_f:C-H-N-Na-O-S,78.0,AB6CDE3F_hR234_148_f_6f_f_f_3f_f:C-H-N-Na-O-S +mp-1199991,NaH6CSNO3,-5.534863275,-1.0563588149,0.0455782907,0.0455782907,GGA,R-3,AB6CDE3F_hR234_148_f_6f_f_f_3f_f:C-H-N-Na-O-S,78.0,AB6CDE3F_hR234_148_f_6f_f_f_3f_f:C-H-N-Na-O-S +mp-1203484,NaH4CS2N3O2,-5.8290526954,-0.6522944725,0.2136801342,0.2136801342,GGA,P2_1/c,AB4C3DE2F2_mP52_14_e_4e_3e_e_2e_2e:C-H-N-Na-O-S,52.0,AB4C3DE2F2_mP52_14_e_4e_3e_e_2e_2e:C-H-N-Na-O-S +mp-1198497,NaH8C2S2NO5,-5.5416238442,-0.896123694,0.2452546682,0.2452546682,GGA,C2/c,A2B8CDE5F2_mC304_15_4f_16f_2f_cef_10f_4f:C-H-N-Na-O-S,152.0,A2B8CDE5F2_mC304_15_4f_16f_2f_aef_10f_4f:C-H-N-Na-O-S +mp-1197676,NaH6C4SN3O5,-6.5361812669,-0.9125351803,0.1388967406,0.1388967406,GGA,C2/c,A4B6C3DE5F_mC160_15_4f_6f_3f_ae_5f_f:C-H-N-Na-O-S,80.0,A4B6C3DE5F_mC160_15_4f_6f_3f_ae_5f_f:C-H-N-Na-O-S +mp-721712,NaH4CSNO2,-5.631791078,-0.98294936,0.0649526712,0.0649526712,GGA,C2/c,AB4CDE2F_mC80_15_f_4f_f_2e_2f_f:C-H-N-Na-O-S,40.0,AB4CDE2F_mC80_15_f_4f_f_2e_2f_f:C-H-N-Na-O-S +mp-1211315,NaH6C2S2N3O2,-5.8822275034,-0.6752290984,0.1213842489,0.1213842489,GGA,P2_1/c,A2B6C3DE2F2_mP128_14_4e_12e_6e_2e_4e_4e:C-H-N-Na-O-S,128.0,A2B6C3DE2F2_mP128_14_4e_12e_6e_2e_4e_4e:C-H-N-Na-O-S +mp-1193229,MnH12C8S2(NO)2,-6.23778113,-0.3658063604,0.1680433845,0.1680433845,GGA+U,P-1,A8B12CD2E2F2_aP27_2_4i_6i_a_i_i_i:C-H-Mn-N-O-S,27.0,A8B12CD2E2F2_aP27_2_4i_6i_a_i_i_i:C-H-Mn-N-O-S +mp-1197034,NaMnH6C3S3(NO)3,-6.3150031755,-0.7757134834,0.1190830517,0.1190830517,GGA+U,P-3,A3B6CD3EF3G3_hP40_147_g_2g_d_g_ab_g_g:C-H-Mn-N-Na-O-S,40.0,A3B6CD3EF3G3_hP40_147_g_2g_d_g_ab_g_g:C-H-Mn-N-Na-O-S +mp-767297,MnH8C2S2(NO2)2,-6.1327781595,-0.8962624192,0.1085837462,0.1085837462,GGA+U,P2_1/c,A2B8CD2E4F2_mP38_14_e_4e_a_e_2e_e:C-H-Mn-N-O-S,38.0,"Invalid WP multiplicities - A2B8CD2E4F2_mP38_14_e_13e_a_e_7e_e:C-H-Mn-N-O-S, expected MnH26C2S2(NO7)2 to be MnH8C2S2(NO2)2" +mp-1201200,MnH20C2S2(NO2)6,-6.0503120495,-1.0938934217,0.0327689456,0.0327689456,GGA+U,P-1,A2B20CD6E12F2_aP43_2_i_10i_a_3i_6i_i:C-H-Mn-N-O-S,43.0,A2B20CD6E12F2_aP43_2_i_10i_a_3i_6i_i:C-H-Mn-N-O-S +mp-1224608,H10PtC4(NCl3)2,-4.8465299983,-0.2953445396,0.3611228752,0.3611228752,GGA,C2,A4B6C10D2E_mC46_5_2c_3c_5c_c_a:C-Cl-H-N-Pt,,"Invalid WP multiplicities - A4B6C10D2E_mC46_5_4c_5c_9c_c_a:C-Cl-H-N-Pt, expected H18PtC8(NCl5)2 to be H10PtC4(NCl3)2" +mp-1198949,P2H24PtC12(IN3)2,-5.7191082316,-0.1439411768,0.2255966535,0.2255966535,GGA,P2_1/c,A12B24C2D6E2F_mP94_14_6e_12e_e_3e_e_a:C-H-I-N-P-Pt,94.0,A12B24C2D6E2F_mP94_14_6e_12e_e_3e_e_a:C-H-I-N-P-Pt +mp-1200217,PH9PtC3Cl2,-4.9865883545,-0.3989608527,0.0127193529,0.0127193529,GGA,P2_1/c,A3B2C9DE_mP64_14_3e_2e_9e_e_e:C-Cl-H-P-Pt,64.0,A3B2C9DE_mP64_14_3e_2e_9e_e_e:C-Cl-H-P-Pt +mp-1196358,PH30Pt2C10I2NCl2,-4.9228185885,-0.2018955392,0.1440214463,0.1440214463,GGA,P2_1/c,A10B2C30D2EFG2_mP192_14_10e_2e_30e_2e_e_e_2e:C-Cl-H-I-N-P-Pt,192.0,A10B2C30D2EFG2_mP192_14_10e_2e_30e_2e_e_e_2e:C-Cl-H-I-N-P-Pt +mp-1195182,P2H38Pt(C2N)6,-5.3589513946,-0.1626076064,0.1518440479,0.1518440479,GGA,P-1,A12B38C6D2E_aP59_2_6i_19i_3i_i_a:C-H-N-P-Pt,59.0,A12B38C6D2E_aP59_2_6i_19i_3i_i_a:C-H-N-P-Pt +mp-684919,H16PtC4(NCl3)2,-4.8337083407,-0.52220414,0.0642300767,0.0642300767,GGA,C2/m,A4B6C16D2E_mC58_12_j_ij_2i3j_i_a:C-Cl-H-N-Pt,29.0,"Invalid WP multiplicities - A4B6C16D2E_mC58_12_j_ij_4i4j_i_a:C-Cl-H-N-Pt, expected H24PtC4(NCl3)2 to be H16PtC4(NCl3)2" +mp-1194093,H16PtC4(NCl3)2,-4.8396136586,-0.5281094579,0.0583247588,0.0583247588,GGA,Immm,A4B6C16D2E_oI58_71_m_el_mno_f_a:C-Cl-H-N-Pt,29.0,A4B6C16D2E_oI58_71_m_el_mno_f_a:C-Cl-H-N-Pt +mp-1198826,H10PtC2(NCl)2,-5.0733692924,-0.4365582379,0.1392432714,0.1392432714,GGA,P2_1/c,A2B2C10D2E_mP68_14_2e_2e_10e_2e_e:C-Cl-H-N-Pt,68.0,A2B2C10D2E_mP68_14_2e_2e_10e_2e_e:C-Cl-H-N-Pt +mp-1202301,PH18PtC6S3ClF6,-5.1034486542,-0.8353303860000001,0.0033565979,0.0033565979,GGA,P2_1/c,A6BC6D18EFG3_mP144_14_6e_e_6e_18e_e_e_3e:C-Cl-F-H-P-Pt-S,144.0,A6BC6D18EFG3_mP144_14_6e_e_6e_18e_e_e_3e:C-Cl-F-H-P-Pt-S +mp-1147740,Pt3Cl3F,-3.8029281,-0.1357153989,0.6470006041,0.6470006041,GGA,Pm-3m,A3BC3_cP7_221_c_a_d:Cl-F-Pt,7.0,A3BC3_cP7_221_c_a_d:Cl-F-Pt +mp-1204309,SbH8C2S2Br3N4O,-5.2189306507,-0.4116547593,0.2792520599,0.2792520599,GGA,Cmce,A3B2C8D4EF2G_oC168_64_d2f_g_4g_2g_f_g_f:Br-C-H-N-O-S-Sb,84.0,A3B2C8D4EF2G_oC168_64_d2f_g_4g_2g_f_g_f:Br-C-H-N-O-S-Sb +mp-695843,SbH7(Br2O)3,-4.1466745443,-1.0857145638,0.0,-0.0452370809,GGA,P2_1/c,A6B7C3D_mP68_14_6e_7e_3e_e:Br-H-O-Sb,68.0,A6B7C3D_mP68_14_6e_7e_3e_e:Br-H-O-Sb +mp-1201593,Sb2H42C15(BrN)9,-5.2198421889,-0.3083072791,0.2141587948,0.2141587948,GGA,P-1,A9B15C42D9E2_aP154_2_9i_15i_42i_9i_2i:Br-C-H-N-Sb,154.0,A9B15C42D9E2_aP154_2_9i_15i_42i_9i_2i:Br-C-H-N-Sb +mp-1203982,Sb(Br3N)2,-2.8622306764000003,0.4844538869,1.0124117703,1.0124117703,GGA,I4_1/amd,A6B2C_tI72_141_2e2h_f_ab:Br-N-Sb,36.0,A6B2C_tI72_141_2e2h_f_ab:Br-N-Sb +mp-1209055,Sb(Br3N)2,-2.8667070622,0.4799775011,1.0079353844,1.0079353844,GGA,Fm-3m,A6B2C_cF36_225_e_c_a:Br-N-Sb,9.0,A6B2C_cF36_225_e_c_a:Br-N-Sb +mp-1220030,Sb2C6(Br3N)3,-4.836641882,0.294194877,0.7760148381,0.7760148381,GGA,P2_1,A9B6C3D2_mP40_4_9a_6a_3a_2a:Br-C-N-Sb,40.0,A9B6C3D2_mP40_4_9a_6a_3a_2a:Br-C-N-Sb +mp-1220257,Sb2C6(Br3N)3,-4.8557273678,0.2751093913,0.7569293524,0.7569293524,GGA,P2_1,A9B6C3D2_mP40_4_9a_6a_3a_2a:Br-C-N-Sb,40.0,A9B6C3D2_mP40_4_9a_6a_3a_2a:Br-C-N-Sb +mp-1213503,CuH6S2(NO4)2,-5.1277752921,-0.444882544,0.8173324758,0.8173324758,GGA,P2_1/c,AB6C2D8E2_mP38_14_a_3e_e_4e_e:Cu-H-N-O-S,38.0,AB6C2D8E2_mP38_14_a_3e_e_4e_e:Cu-H-N-O-S +mp-1238512,CuH6S2(NO4)2,-5.3883755342,-0.7054827861,0.5567322337,0.5567322337,GGA,P2_1/c,AB6C2D8E2_mP38_14_a_3e_e_4e_e:Cu-H-N-O-S,38.0,AB6C2D8E2_mP38_14_a_3e_e_4e_e:Cu-H-N-O-S +mp-1213584,Cu3H8S4(NO8)2,-5.9208960143,-1.3207373153,0.024678664,0.024678664,GGA,Pnma,A3B8C2D16E4_oP132_62_cd_4d_d_4c6d_2cd:Cu-H-N-O-S,132.0,A3B8C2D16E4_oP132_62_cd_4d_d_4c6d_2cd:Cu-H-N-O-S +mp-1199734,CuH36S8N11O18,-5.4167862717,-0.8212351338,0.1924213932,0.1924213932,GGA,I-42d,AB36C11D18E8_tI296_122_a_9e_bc2de_d4e_2e:Cu-H-N-O-S,148.0,AB36C11D18E8_tI296_122_a_9e_bc2de_d4e_2e:Cu-H-N-O-S +mp-1198893,CuH16C6S4(NO)6,-5.7546601086,-0.3700519642,0.4024576585,0.4024576585,GGA,P-1,A6BC16D6E6F4_aP156_2_12i_2i_32i_12i_12i_8i:C-Cu-H-N-O-S,156.0,A6BC16D6E6F4_aP156_2_12i_2i_32i_12i_12i_8i:C-Cu-H-N-O-S +mp-722275,CuH20S2(NO7)2,-5.5065723359,-1.2462323587,0.0072557713,0.0072557713,GGA,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S +mp-504531,CuH20S2(NO7)2,-5.5057189353,-1.245378958,0.0081091719,0.0081091719,GGA,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S +mp-722963,CuH20S2(NO7)2,-5.2319435759,-0.9716035987,0.2818845313,0.2818845313,GGA,P2_1/c,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S,78.0,AB20C2D14E2_mP78_14_a_10e_e_7e_e:Cu-H-N-O-S +mp-705524,CuH7C3SN3O4,-5.965762822,-0.4675009825,0.4325012698,0.4325012698,GGA,P2_1/c,A3BC7D3E4F_mP76_14_3e_e_7e_3e_4e_e:C-Cu-H-N-O-S,76.0,A3BC7D3E4F_mP76_14_3e_e_7e_3e_4e_e:C-Cu-H-N-O-S +mp-1182659,CuH7C3SN3O4,-6.0078971199,-0.5096352804000001,0.3903669719,0.3903669719,GGA,P2_1/c,A3BC7D3E4F_mP76_14_3e_e_7e_3e_4e_e:C-Cu-H-N-O-S,76.0,A3BC7D3E4F_mP76_14_3e_e_7e_3e_4e_e:C-Cu-H-N-O-S +mp-1213674,CuHS(NO)4,-6.4157910089,-0.5284167246,0.4031729599,0.4031729599,GGA,Pnma,ABC4D4E_oP44_62_c_c_2d_2cd_c:Cu-H-N-O-S,44.0,ABC4D4E_oP44_62_c_c_2d_2cd_c:Cu-H-N-O-S +mp-708015,Na2CuH20C12(N2O3)6,-6.8139251605,-1.0536005455,0.0234139722,0.0234139722,GGA,P-1,A12BC20D12E2F18_aP65_2_6i_a_10i_6i_i_9i:C-Cu-H-N-Na-O,65.0,A12BC20D12E2F18_aP65_2_6i_a_10i_6i_i_9i:C-Cu-H-N-Na-O +mp-1203898,CuH4C2S2(NO)2,-5.9590675898,-0.5000899866,0.2604033725,0.2604033725,GGA,Pnma,A2BC4D2E2F2_oP52_62_2c_c_2d_2c_2c_2c:C-Cu-H-N-O-S,52.0,A2BC4D2E2F2_oP52_62_2c_c_2d_2c_2c_2c:C-Cu-H-N-O-S +mp-1203070,Na4Cu3S8N5O12,-5.2350605228,-0.4937461704,0.8782534979000001,0.8782534979000001,GGA,I4/m,A3B5C4D12E8_tI64_87_ad_bh_h_hi_2h:Cu-N-Na-O-S,32.0,A3B5C4D12E8_tI64_87_ad_bh_h_hi_2h:Cu-N-Na-O-S +mp-1192156,CuC4S4(NO6)2,-6.1266937617,-0.3183058273,1.0731256088,1.0731256088,GGA,P-1,A4BC2D12E4_aP23_2_2i_a_i_6i_2i:C-Cu-N-O-S,23.0,A4BC2D12E4_aP23_2_2i_a_i_6i_2i:C-Cu-N-O-S +mp-1201766,NaCuH28CS6(N2O7)2,-5.28826262,-0.9779890277,0.1188707834,0.1188707834,GGA,Pc,ABC28D4EF14G6_mP110_7_a_a_28a_4a_a_14a_6a:C-Cu-H-N-Na-O-S,110.0,ABC28D4EF14G6_mP110_7_a_a_28a_4a_a_14a_6a:C-Cu-H-N-Na-O-S +mp-1196454,Cu2H13C2S2NO11,-5.6275877581,-1.0539053906,0.1890962815,0.1890962815,GGA,P2_1/c,A2B2C13DE11F2_mP124_14_2e_abe_13e_e_11e_2e:C-Cu-H-N-O-S,124.0,A2B2C13DE11F2_mP124_14_2e_abe_13e_e_11e_2e:C-Cu-H-N-O-S +mp-696200,CuH20C2S3(NO)8,-5.6871780955,-0.7089429230000001,0.1719383733,0.1719383733,GGA,P2_1/c,A2BC20D8E8F3_mP168_14_2e_e_20e_8e_8e_3e:C-Cu-H-N-O-S,168.0,A2BC20D8E8F3_mP168_14_2e_e_20e_8e_8e_3e:C-Cu-H-N-O-S +mp-774723,CuH12C3SN6O7,-6.2529396274,-0.8769344246,0.0713575873,0.0713575873,GGA,Pbcn,A3BC12D6E7F_oP120_60_cd_a_6d_3d_c3d_c:C-Cu-H-N-O-S,120.0,"Invalid WP multiplicities - A3BC12D6E7F_oP120_60_2c2d_a_21d_9d_2c10d_c:C-Cu-H-N-O-S, expected CuH42C6S(N9O11)2 to be CuH12C3SN6O7" +mp-1199156,Na2Cu(NO3)4,-6.34331768,-1.1090807594,0.0,-0.0083510879,GGA,P2_1/c,AB4C2D12_mP38_14_a_2e_e_6e:Cu-N-Na-O,38.0,AB4C2D12_mP38_14_a_2e_e_6e:Cu-N-Na-O +mp-1200812,Na5CuS4(NO6)2,-5.8187885515,-1.5150015936,0.3289690546,0.3289690546,GGA,P-4,AB2C5D12E4_tP48_81_ab_h_g2h_6h_2h:Cu-N-Na-O-S,48.0,AB2C5D12E4_tP48_81_ab_h_g2h_6h_2h:Cu-N-Na-O-S +mp-774726,Cu2H26C6S7N12O5,-5.7203368765,-0.4529607525,0.1715037845,0.1715037845,GGA,P-1,A6B2C26D12E5F7_aP116_2_6i_2i_26i_12i_5i_7i:C-Cu-H-N-O-S,116.0,"Invalid WP multiplicities - A6B2C26D12E5F7_aP116_2_11i_3i_51i_23i_9i_12i:C-Cu-H-N-O-S, expected Cu3H51C11S12N23O9 to be Cu2H26C6S7N12O5" +mp-1195799,K2Fe2B2O7,-7.4276589567,-2.2625478156,0.0250641756,0.0250641756,GGA+U,P321,A2B2C2D7_hP39_150_g_c2d_ef_ad3g:B-Fe-K-O,39.0,A2B2C2D7_hP39_150_g_c2d_ef_ad3g:B-Fe-K-O +mp-541794,KFeBP2HO9,-7.4546467383,-2.4546906458,0.0125334248,0.0103028964,GGA+U,P-1,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-Fe-H-K-O-P,30.0,ABCDE9F2_aP30_2_i_i_i_i_9i_2i:B-Fe-H-K-O-P +mp-1204854,KFeBP2HO9,-7.4671801632,-2.4672240707,0.0,-0.0022305284,GGA+U,P2_1/c,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-Fe-H-K-O-P,60.0,ABCDE9F2_mP60_14_e_e_e_e_9e_2e:B-Fe-H-K-O-P +mp-1223878,K2AlFeB2P4(HO9)2,-7.4528544547,-2.6103798748,0.0048884943,0.0048884943,GGA+U,P1,AB2CD2E2F18G4_aP30_1_a_2a_a_2a_2a_18a_4a:Al-B-Fe-H-K-O-P,30.0,AB2CD2E2F18G4_aP30_1_a_2a_a_2a_2a_18a_4a:Al-B-Fe-H-K-O-P +mp-1204336,KAlBP2O9,-7.5453580111,-2.7680601566,0.0491775092,0.0491775092,GGA,P2_1/c,ABCD9E2_mP56_14_e_e_e_9e_2e:Al-B-K-O-P,56.0,ABCD9E2_mP56_14_e_e_e_9e_2e:Al-B-K-O-P +mp-1205167,Na3LiY3P3CO15F2,-7.7307682094,-3.1319191485,0.0,-0.0043984401,GGA,P-43m,AB2CD3E15F3G3_cP112_215_e_2e_e_i_3ij_i_fg:C-F-Li-Na-O-P-Y,112.0,"Invalid WP multiplicities - AB2CD3E15F3G3_cP112_215_e_2e_e_i_6i2j_i_fg:C-F-Li-Na-O-P-Y, expected Na3LiY3P3C(O15F)2 to be Na3LiY3P3CO15F2" +mp-1110628,Na2LiYF6,-5.696339391,-3.4474075538,0.154150042,0.154150042,GGA,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Y,10.0,A6BC2D_cF40_225_e_a_c_b:F-Li-Na-Y +mp-10804,NaYPO4F,-7.7080696112,-3.3455030205,0.0031441175,0.0031441175,GGA,C2/m,ABC4DE_mC32_12_i_g_2ij_i_i:F-Na-O-P-Y,16.0,ABC4DE_mC32_12_i_g_2ij_i_i:F-Na-O-P-Y +mp-558597,NaLiY2F8,-6.6210410167,-3.9996891728,0.0042662863,0.0042662863,GGA,Cmcm,A8BCD2_oC48_63_2cgh_a_c_g:F-Li-Na-Y,24.0,"Invalid WP multiplicities - A8BCD2_oC48_63_4c3g5h_a_c_g:F-Li-Na-Y, expected NaLiY2F30 to be NaLiY2F8" +mp-698518,HgTe3H12C4N,-4.7485327559,-0.1915104949,0.0614137258,0.0614137258,GGA,P2_1/c,A4B12CDE3_mP168_14_8e_24e_2e_2e_6e:C-H-Hg-N-Te,168.0,A4B12CDE3_mP168_14_8e_24e_2e_2e_6e:C-H-Hg-N-Te +mp-1179213,TeH15C5NOF6,-5.1742872792,-0.8663706767,0.1753955377,0.1753955377,GGA,P2_1/c,A5B6C15DEF_mP116_14_5e_6e_15e_e_e_e:C-F-H-N-O-Te,116.0,"Invalid WP multiplicities - A5B6C15DEF_mP116_14_19e_23e_53e_e_e_e:C-F-H-N-O-Te, expected TeH53C19NOF23 to be TeH15C5NOF6" +mp-1179533,TeH15C5NOF6,-4.9673744897,-0.6594578873,0.3823083272,0.3823083272,GGA,P2_1/c,A5B6C15DEF_mP116_14_5e_6e_15e_e_e_e:C-F-H-N-O-Te,116.0,"Invalid WP multiplicities - A5B6C15DEF_mP116_14_19e_23e_53e_e_e_e:C-F-H-N-O-Te, expected TeH53C19NOF23 to be TeH15C5NOF6" +mp-1194814,HgTe5H36C12N3(OF5)5,-5.0537037689,-1.0717240461,0.2700793089,0.2700793089,GGA,Cc,A12B25C36DE3F5G5_mC348_9_12a_25a_36a_a_3a_5a_5a:C-F-H-Hg-N-O-Te,174.0,A12B25C36DE3F5G5_mC348_9_12a_25a_36a_a_3a_5a_5a:C-F-H-Hg-N-O-Te +mp-558806,HgTe2C2(NF8)2,-4.9897426839,-1.8460784897,0.181377407,0.181377407,GGA,Pbca,A2B16CD2E2_oP92_61_c_8c_a_c_c:C-F-Hg-N-Te,92.0,"Invalid WP multiplicities - A2B16CD2E2_oP92_61_c_58c_a_c_c:C-F-Hg-N-Te, expected HgTe2C2(NF58)2 to be HgTe2C2(NF8)2" +mp-605347,HgTe(H2O3)2,-5.081385859,-1.1898839668,0.040393801,0.040393801,GGA,Pna2_1,A4BC6D_oP48_33_4a_a_6a_a:H-Hg-O-Te,48.0,"Invalid WP multiplicities - A4BC6D_oP48_33_13a_a_23a_a:H-Hg-O-Te, expected HgTeH13O23 to be HgTe(H2O3)2" +mp-758675,TeH14C2(NO2)4,-5.8763077891,-0.9791253444,0.0848180177,0.0848180177,GGA,C2/c,A2B14C4D8E_mC116_15_f_7f_2f_4f_e:C-H-N-O-Te,58.0,"Invalid WP multiplicities - A2B14C4D8E_mC116_15_f_27f_7f_13f_e:C-H-N-O-Te, expected TeH54C2(N7O13)2 to be TeH14C2(NO2)4" +mp-757360,HgTe(HO)7,-5.0792424888,-1.2153118917,0.0371697724,0.0371697724,GGA,P-1,A7BC7D_aP32_2_7i_i_7i_bc:H-Hg-O-Te,32.0,"Invalid WP multiplicities - A7BC7D_aP32_2_13i_i_13i_bc:H-Hg-O-Te, expected HgTe(HO)13 to be HgTe(HO)7" +mp-861267,Li12MnV3P4(CO7)4,-7.3556778144,-2.4249862026,0.0682929856,0.0682929856,GGA+U,Pm,A4B12CD28E4F3_mP52_6_2a2b_2a2b4c_a_10a10b4c_2a2b_a2b:C-Li-Mn-O-P-V,52.0,A4B12CD28E4F3_mP52_6_2a2b_2a2b4c_a_10a10b4c_2a2b_a2b:C-Li-Mn-O-P-V +mp-766509,Li12Mn3VP4(CO7)4,-7.3512881348,-2.4175923222,0.0598662211,0.0598662211,GGA+U,Pm,A4B12C3D28E4F_mP52_6_2a2b_2a2b4c_a2b_10a10b4c_2a2b_a:C-Li-Mn-O-P-V,52.0,A4B12C3D28E4F_mP52_6_2a2b_2a2b4c_a2b_10a10b4c_2a2b_a:C-Li-Mn-O-P-V +mp-753882,Li6MnVP2(CO7)2,-7.3221799096,-2.3899861974,0.0953826684,0.0953826684,GGA+U,Pm,A2B6CD14E2F_mP26_6_ab_ab2c_a_5a5b2c_ab_b:C-Li-Mn-O-P-V,26.0,A2B6CD14E2F_mP26_6_ab_ab2c_a_5a5b2c_ab_b:C-Li-Mn-O-P-V +mp-24765,KHoH8RuC6(N3O2)2,-7.0012764069,-0.8054713673,0.1316948056,0.1316948056,GGA,Cmcm,A6B8CDE6F4G_oC108_63_fh_2fh_c_c_fh_fg_a:C-H-Ho-K-N-O-Ru,54.0,"Invalid WP multiplicities - A6B8CDE6F4G_oC108_63_f2h_3fh_c_c_f2h_3f2g_a:C-H-Ho-K-N-O-Ru, expected KHoH10RuC10(NO)10 to be KHoH8RuC6(N3O2)2" +mp-1198149,MnP3C(NO7)2,-6.7991805826,-1.0583605773,0.8987047146,0.8987047146,GGA+U,P-1,ABC2D14E3_aP42_2_i_i_2i_14i_3i:C-Mn-N-O-P,42.0,ABC2D14E3_aP42_2_i_i_2i_14i_3i:C-Mn-N-O-P +mp-729136,MnP3H10C3NO9,-6.5088327447,-1.3283930015,0.1128835642,0.1128835642,GGA+U,P2_1/c,A3B10CDE9F3_mP108_14_3e_10e_e_e_9e_3e:C-H-Mn-N-O-P,108.0,A3B10CDE9F3_mP108_14_3e_10e_e_e_9e_3e:C-H-Mn-N-O-P +mp-1200911,MnPH15C3N(ClO)3,-5.3449016889,-0.8310359115,0.0472781836,0.0472781836,GGA+U,P2_1,A3B3C15DEF3G_mP54_4_3a_3a_15a_a_a_3a_a:C-Cl-H-Mn-N-O-P,54.0,A3B3C15DEF3G_mP54_4_3a_3a_15a_a_a_3a_a:C-Cl-H-Mn-N-O-P +mp-1180719,Mn2PC5NO11,-7.9840959822,-1.3525594171,0.4587593513,0.4587593513,GGA+U,P-1,A5B2CD11E_aP40_2_5i_2i_i_11i_i:C-Mn-N-O-P,40.0,A5B2CD11E_aP40_2_5i_2i_i_11i_i:C-Mn-N-O-P +mp-698303,MnP2H36C12N6(ClO)2,-5.5303701541,-0.3421707422,0.1605662808,0.1605662808,GGA+U,C2/c,A12B2C36DE6F2G2_mC244_15_6f_f_18f_e_3f_f_f:C-Cl-H-Mn-N-O-P,122.0,A12B2C36DE6F2G2_mC244_15_6f_f_18f_e_3f_f_f:C-Cl-H-Mn-N-O-P +mp-1204234,MnP2H9C2NO7,-6.4054679011,-1.317113283,0.0987620714,0.0987620714,GGA+U,Cc,A2B9CDE7F2_mC88_9_2a_9a_a_a_7a_2a:C-H-Mn-N-O-P,44.0,A2B9CDE7F2_mC88_9_2a_9a_a_a_7a_2a:C-H-Mn-N-O-P +mp-728651,SbPC(ClO)3,-5.2429312382,-0.8921928656,0.794922839,0.794922839,GGA,P2_1/c,AB3C3DE_mP144_14_4e_12e_12e_4e_4e:C-Cl-O-P-Sb,144.0,AB3C3DE_mP144_14_4e_12e_12e_4e_4e:C-Cl-O-P-Sb +mp-726922,SbPC3Cl5O,-4.9515747243,-0.2772408847,0.7963470220000001,0.7963470220000001,GGA,P1,A3B5CDE_aP44_1_12a_20a_4a_4a_4a:C-Cl-O-P-Sb,44.0,A3B5CDE_aP44_1_12a_20a_4a_4a_4a:C-Cl-O-P-Sb +mp-1196365,SbPC3Cl5O,-4.4422455161,0.2320883234,1.3056762302,1.3056762302,GGA,Pnma,A3B5CDE_oP44_62_cd_3cd_c_c_c:C-Cl-O-P-Sb,44.0,A3B5CDE_oP44_62_cd_3cd_c_c_c:C-Cl-O-P-Sb +mp-734008,Sb2N3Cl7O,-3.7272603777,0.2076575136,1.190610478,1.190610478,GGA,Pnnm,A7B3CD2_oP52_58_f2g2h_ab2g_g_h:Cl-N-O-Sb,52.0,A7B3CD2_oP52_58_f2g2h_ab2g_g_h:Cl-N-O-Sb +mp-648469,SbP2SN3Cl10,-4.5725785866,-0.8909957928000001,0.0717557393,0.0717557393,GGA,Pnma,A10B3C2DE_oP68_62_5d_3c_2c_c_a:Cl-N-P-S-Sb,68.0,"Invalid WP multiplicities - A10B3C2DE_oP68_62_35d_7c_4c_c_a:Cl-N-P-S-Sb, expected SbP4S(NCl10)7 to be SbP2SN3Cl10" +mp-572601,SbPC3S3N3Cl3O,-6.3110031277,-0.6350409083,0.116520468,0.116520468,GGA,I-43m,A3B3C3DEF3G_cI120_217_g_g_g_c_c_g_c:C-Cl-N-O-P-S-Sb,60.0,A3B3C3DEF3G_cI120_217_g_g_g_c_c_g_c:C-Cl-N-O-P-S-Sb +mp-1197652,SbNCl8O,-3.761257736,-0.83394154,0.0,-0.091684419,GGA,P2_1/c,A8BCD_mP88_14_16e_2e_2e_2e:Cl-N-O-Sb,88.0,A8BCD_mP88_14_16e_2e_2e_2e:Cl-N-O-Sb +mp-557961,SbCNCl4O,-5.3131174231,-1.058742797,0.0440571855,0.0440571855,GGA,P6_3/m,AB4CDE_hP48_176_h_2hi_h_h_h:C-Cl-N-O-Sb,48.0,"Invalid WP multiplicities - AB4CDE_hP48_176_h_9h5i_h_h_h:C-Cl-N-O-Sb, expected SbCNCl19O to be SbCNCl4O" +mp-647342,SbP3C(NCl5)3,-4.5793506976,-0.9995633529,0.0,-0.0222591948,GGA,P-1,AB15C3D3E_aP46_2_i_15i_3i_3i_i:C-Cl-N-P-Sb,46.0,"Invalid WP multiplicities - AB15C3D3E_aP46_2_i_29i_6i_6i_i:C-Cl-N-P-Sb, expected SbP6CN6Cl29 to be SbP3C(NCl5)3" +mp-648363,SbP3C(NCl5)3,-4.3917370839,-0.8119497392,0.1876136137,0.1653544189,GGA,P-1,AB15C3D3E_aP46_2_i_15i_3i_3i_i:C-Cl-N-P-Sb,46.0,"Invalid WP multiplicities - AB15C3D3E_aP46_2_i_30i_6i_6i_i:C-Cl-N-P-Sb, expected SbP6C(NCl5)6 to be SbP3C(NCl5)3" +mp-696179,KNaH6PtC4N4O3,-6.4187927925,-0.7207367108,0.1123562094,0.1123562094,GGA,Cc,A4B6CD4EF3G_mC80_9_4a_6a_a_4a_a_3a_a:C-H-K-N-Na-O-Pt,40.0,A4B6CD4EF3G_mC80_9_4a_6a_a_4a_a_3a_a:C-H-K-N-Na-O-Pt +mp-1198428,SbTe(N3F2)3,-6.4258294438,-0.909968546,0.2670887799,0.2670887799,GGA,P2_1/c,A6B9CD_mP68_14_6e_9e_e_e:F-N-Sb-Te,68.0,A6B9CD_mP68_14_6e_9e_e_e:F-N-Sb-Te +mp-709549,SbTe6H12C4N(OF5)6,-4.961879613,-1.6955928242,0.281160197,0.281160197,GGA,C2/c,A4B30C12DE6FG6_mC240_15_2f_15f_6f_e_3f_c_3f:C-F-H-N-O-Sb-Te,120.0,A4B30C12DE6FG6_mC240_15_2f_15f_6f_e_3f_c_3f:C-F-H-N-O-Sb-Te +mp-1196552,H26OsC6S6Br3N12O,-5.6281159397,-0.3686132205,0.1705474863,0.1705474863,GGA,Pccn,A3B6C26D12EFG6_oP220_56_ce_3e_13e_6e_d_a_3e:Br-C-H-N-O-Os-S,220.0,A3B6C26D12EFG6_oP220_56_ce_3e_13e_6e_d_a_3e:Br-C-H-N-O-Os-S +mp-1197449,H16OsC4S4Br8N8O3,-5.1371153094,-0.2978494512,0.385393495,0.385393495,GGA,Cmcm,A8B4C16D8E3FG4_oC176_63_3fg_h_4h_2h_cg_c_h:Br-C-H-N-O-Os-S,88.0,A8B4C16D8E3FG4_oC176_63_3fg_h_4h_2h_cg_c_h:Br-C-H-N-O-Os-S +mp-1197750,H12OsSN4O7,-5.7719263248,-0.8099531042,0.2391402219,0.2391402219,GGA,P2_1/c,A12B4C7DE_mP100_14_12e_4e_7e_ab_e:H-N-O-Os-S,100.0,A12B4C7DE_mP100_14_12e_4e_7e_ab_e:H-N-O-Os-S +mp-1195729,MnB2P3H10N2ClO13,-6.7408145556,-1.8809256006,0.001517531,0.001517531,GGA+U,P2_1/c,A2BC10DE2F13G3_mP128_14_2e_e_10e_e_2e_13e_3e:B-Cl-H-Mn-N-O-P,128.0,A2BC10DE2F13G3_mP128_14_2e_e_10e_e_2e_13e_3e:B-Cl-H-Mn-N-O-P +mp-556656,Mn3B7ClO13,-8.516882996,-2.6669964053,0.0,-0.0349179128,GGA+U,Pca2_1,A7BC3D13_oP96_29_7a_a_3a_13a:B-Cl-Mn-O,96.0,"Invalid WP multiplicities - A7BC3D13_oP96_29_25a_a_10a_48a:B-Cl-Mn-O, expected Mn10B25ClO48 to be Mn3B7ClO13" +mp-1198870,CdH4CS2(NO3)2,-5.3782799046,-0.4814998244,0.7714411425000001,0.7714411425000001,GGA,Pbca,ABC4D2E6F2_oP128_61_c_c_4c_2c_6c_2c:C-Cd-H-N-O-S,128.0,ABC4D2E6F2_oP128_61_c_c_4c_2c_6c_2c:C-Cd-H-N-O-S +mp-1214657,CdRe2C6(N6O7)2,-7.6098381533,-0.4533947778,0.6662158345,0.6662158345,GGA,P2_1/c,A6BC12D14E2_mP70_14_3e_a_6e_7e_e:C-Cd-N-O-Re,70.0,A6BC12D14E2_mP70_14_3e_a_6e_7e_e:C-Cd-N-O-Re +mp-1191972,CdH10S2(NO2)4,-5.7151031036,-1.0734015302,0.0834655044,0.0834655044,GGA,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Cd-H-N-O-S,25.0,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Cd-H-N-O-S +mp-1213973,CdH10S2(NO2)4,-5.5834916384,-0.941790065,0.2150769696,0.2150769696,GGA,P-1,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Cd-H-N-O-S,25.0,AB10C4D8E2_aP25_2_a_5i_2i_4i_i:Cd-H-N-O-S +mp-1215040,CdRe2C4S4(NO)8,-7.2354299324,-0.3636567969,0.6555918497000001,0.6555918497000001,GGA,P2_1/c,A4BC8D8E2F4_mP54_14_2e_a_4e_4e_e_2e:C-Cd-N-O-Re-S,54.0,A4BC8D8E2F4_mP54_14_2e_a_4e_4e_e_2e:C-Cd-N-O-Re-S +mp-733848,CdRe2H8C2(N2O5)2,-6.9831166194000005,-1.2711184606,0.0164333348,0.0164333348,GGA,P2_1/c,A2BC8D4E10F2_mP108_14_2e_e_8e_4e_10e_2e:C-Cd-H-N-O-Re,108.0,A2BC8D4E10F2_mP108_14_2e_e_8e_4e_10e_2e:C-Cd-H-N-O-Re +mp-690848,CdH20C2S2(NO2)6,-5.0328299179,-0.2680188606,0.8370165529,0.8370165529,GGA,P-1,A2BC20D6E12F2_aP43_2_i_a_10i_3i_6i_i:C-Cd-H-N-O-S,43.0,A2BC20D6E12F2_aP43_2_i_a_10i_3i_6i_i:C-Cd-H-N-O-S +mp-1204215,CdH20C2S2(NO2)6,-5.8274565877,-1.0626455304,0.0423898831,0.0423898831,GGA,P-1,A2BC20D6E12F2_aP43_2_i_a_10i_3i_6i_i:C-Cd-H-N-O-S,43.0,A2BC20D6E12F2_aP43_2_i_a_10i_3i_6i_i:C-Cd-H-N-O-S +mp-1214630,CdRe2C2(N2O5)2,-7.7856023638,-1.0970685782,0.4063160449,0.4063160449,GGA,P2_1/c,A2BC4D10E2_mP76_14_2e_e_4e_10e_2e:C-Cd-N-O-Re,76.0,A2BC4D10E2_mP76_14_2e_e_4e_10e_2e:C-Cd-N-O-Re +mp-1203521,CdRe2H8C2S2(NO2)4,-6.74426638,-1.0922859134,0.0894312338,0.0894312338,GGA,P2_1/c,A2BC8D4E8F2G2_mP54_14_e_a_4e_2e_4e_e_e:C-Cd-H-N-O-Re-S,54.0,A2BC8D4E8F2G2_mP54_14_e_a_4e_2e_4e_e_e:C-Cd-H-N-O-Re-S +mp-707538,CdRe2(H2O5)2,-6.8082289159,-1.581773891,0.1106064624,0.1106064624,GGA,P-1,AB4C10D2_aP68_2_2i_8i_20i_4i:Cd-H-O-Re,68.0,AB4C10D2_aP68_2_2i_8i_20i_4i:Cd-H-O-Re +mp-733747,CdRe2H16C4S4(NO)8,-6.4098834036,-0.8326394181000001,0.0919393668,0.0919393668,GGA,P2_1/c,A4BC16D8E8F2G4_mP86_14_2e_a_8e_4e_4e_e_2e:C-Cd-H-N-O-Re-S,86.0,A4BC16D8E8F2G4_mP86_14_2e_a_8e_4e_4e_e_2e:C-Cd-H-N-O-Re-S +mp-24273,CdH20C4S4(NO6)2,-5.4818782979,-0.8709218681,0.2482232092,0.2482232092,GGA,P-1,A4BC20D2E12F4_aP43_2_2i_a_10i_i_6i_2i:C-Cd-H-N-O-S,43.0,"Invalid WP multiplicities - A4BC20D2E12F4_aP43_2_3i_a_15i_i_9i_2i:C-Cd-H-N-O-S, expected CdH30C6S4(NO9)2 to be CdH20C4S4(NO6)2" +mp-1197049,CdH8C2S2(NO)6,-6.0407103536,-0.6609491273,0.2966150254,0.2966150254,GGA,P2_1/c,A2BC8D6E6F2_mP50_14_e_a_4e_3e_3e_e:C-Cd-H-N-O-S,50.0,A2BC8D6E6F2_mP50_14_e_a_4e_3e_3e_e:C-Cd-H-N-O-S +mp-1104869,CdRe2(NO2)4,-6.4762136733,0.1058818947,1.5106551949,1.5106551949,GGA,F-43m,AB4C8D2_cF60_216_a_e_2e_bc:Cd-N-O-Re,15.0,AB4C8D2_cF60_216_a_e_2e_bc:Cd-N-O-Re +mp-1192898,CdRe2C4(N2O3)4,-7.5410704537,-0.5492619339,0.7053802748,0.7053802748,GGA,P-1,A4BC8D12E2_aP27_2_2i_a_4i_6i_i:C-Cd-N-O-Re,27.0,A4BC8D12E2_aP27_2_2i_a_4i_6i_i:C-Cd-N-O-Re +mp-1203976,CdRe2H26C6S6(N4O3)3,-6.2038787651,-0.7398198787,0.0840581392,0.0840581392,GGA,C2/c,A6BC26D12E9F2G6_mC248_15_3f_c_13f_6f_e4f_f_3f:C-Cd-H-N-O-Re-S,124.0,A6BC26D12E9F2G6_mC248_15_3f_a_13f_6f_e4f_f_3f:C-Cd-H-N-O-Re-S +mp-1198960,Cd3H14S3(NO8)2,-5.5568883942,-1.3859359537,0.0130821367,0.0130821367,GGA,Cmc2_1,A3B14C2D16E3_oC152_36_ab_2a6b_b_4a6b_ab:Cd-H-N-O-S,76.0,A3B14C2D16E3_oC152_36_ab_2a6b_b_4a6b_ab:Cd-H-N-O-S +mp-1202482,Cd3H18S4N2O21,-5.6075305408,-1.421343242,0.0115358706,0.0115358706,GGA,P2_1/c,A3B18C2D21E4_mP192_14_3e_18e_2e_21e_4e:Cd-H-N-O-S,192.0,A3B18C2D21E4_mP192_14_3e_18e_2e_21e_4e:Cd-H-N-O-S +mp-1191672,U2AsPNO19,-7.053770895,-1.4296533379,0.4718235023,0.4718235023,GGA,P1,ABC19DE2_aP24_1_a_a_19a_a_2a:As-N-O-P-U,24.0,ABC19DE2_aP24_1_a_a_19a_a_2a:As-N-O-P-U +mp-1216555,U2AsP,-8.9871922875,-0.8233820546,0.02134434,0.02134434,GGA,P4/mmm,ABC2_tP4_123_a_d_bc:As-P-U,4.0,ABC2_tP4_123_a_d_bc:As-P-U +mp-1077201,UAsP,-7.8993712,-0.7780942261,0.0,-0.0484021842,GGA,P4/nmm,ABC_tP6_129_a_c_c:As-P-U,6.0,ABC_tP6_129_a_c_c:As-P-U +mp-560585,P3IrO9,-7.6024335985,-2.2486997445,0.0,-0.0597390574,GGA,P-1,AB9C3_aP26_2_bc_9i_3i:Ir-O-P,26.0,AB9C3_aP26_2_bc_9i_3i:Ir-O-P +mp-554749,P3IrO9,-7.5861122528,-2.2323783989,0.0163213456,-0.0434177118,GGA,Cc,AB9C3_mC156_9_3a_27a_9a:Ir-O-P,78.0,"Invalid WP multiplicities - AB9C3_mC156_9_6a_53a_18a:Ir-O-P, expected P18Ir6O53 to be P3IrO9" +mp-1229246,B2P6H60Ir2C18O3F8,-5.2855344129,-0.6054646515000001,0.0712604627,0.0712604627,GGA,P1,A2B18C8D60E2F3G6_aP99_1_2a_18a_8a_60a_2a_3a_6a:B-C-F-H-Ir-O-P,99.0,A2B18C8D60E2F3G6_aP99_1_2a_18a_8a_60a_2a_3a_6a:B-C-F-H-Ir-O-P +mp-1183221,BIrO3,-6.365849548,-0.2942711311,1.6729221789,1.6729221789,GGA,Pm-3m,ABC3_cP5_221_b_a_c:B-Ir-O,5.0,ABC3_cP5_221_b_a_c:B-Ir-O +mp-13589,CuB(CN)4,-8.037376147,0.0665478641,0.35882387,0.35882387,GGA,P-43m,AB4CD4_cP10_215_a_e_b_e:B-C-Cu-N,10.0,AB4CD4_cP10_215_a_e_b_e:B-C-Cu-N +mp-568532,CuB2(CN)8,-8.1250757695,0.1896228385,0.4972817921,0.4972817921,GGA,C2/m,A2B8CD8_mC38_12_i_2ij_a_2ij:B-C-Cu-N,19.0,"Invalid WP multiplicities - A2B8CD8_mC38_12_i_4i3j_a_4i2j:B-C-Cu-N, expected CuB2(C5N4)4 to be CuB2(CN)8" +mp-1232413,Na3CuP2H6NO13,-6.1003784869,-1.796794179,0.0119757539,0.0119757539,GGA,P2_1/m,AB6CD3E13F2_mP52_11_a_2e2f_e_ef_7e3f_2e:Cu-H-N-Na-O-P,52.0,AB6CD3E13F2_mP52_11_a_2e2f_e_ef_7e3f_2e:Cu-H-N-Na-O-P +mp-1197210,KNa2P3H7N3O8,-6.1885668106,-1.6749237342,0.0631805241,0.0631805241,GGA,P-1,A7BC3D2E8F3_aP48_2_7i_i_3i_2i_8i_3i:H-K-N-Na-O-P,48.0,A7BC3D2E8F3_aP48_2_7i_i_3i_2i_8i_3i:H-K-N-Na-O-P +mp-1205271,Na2CuP4H18N4O15,-5.9356089783,-1.458044286,0.1102625195,0.1102625195,GGA,Pnma,AB18C4D2E15F4_oP176_62_c_9d_2d_2c_3c6d_2d:Cu-H-N-Na-O-P,176.0,AB18C4D2E15F4_oP176_62_c_9d_2d_2c_3c6d_2d:Cu-H-N-Na-O-P +mp-1180606,Na4CuP6H22(N3O11)2,-5.9942111562,-1.4801912042,0.1760499674,0.1760499674,GGA,P-1,AB22C6D4E22F6_aP61_2_a_11i_3i_2i_11i_3i:Cu-H-N-Na-O-P,61.0,AB22C6D4E22F6_aP61_2_a_11i_3i_2i_11i_3i:Cu-H-N-Na-O-P +mp-1213094,KNaCuP4H18N4O15,-5.936267403,-1.463523764,0.11131299,0.11131299,GGA,Pnma,AB18CD4EF15G4_oP176_62_c_9d_c_2d_c_3c6d_2d:Cu-H-K-N-Na-O-P,176.0,AB18CD4EF15G4_oP176_62_c_9d_c_2d_c_3c6d_2d:Cu-H-K-N-Na-O-P +mp-1196080,CoP3H15C3NO12,-6.0610124067,-1.2146732088,0.1833310151,0.1833310151,GGA+U,P2_1/c,A3BC15DE12F3_mP140_14_3e_e_15e_e_12e_3e:C-Co-H-N-O-P,140.0,A3BC15DE12F3_mP140_14_3e_e_15e_e_12e_3e:C-Co-H-N-O-P +mp-1199420,CoP2H36C12Br2(N3O)2,-5.4932672501,-0.3484238079,0.1428032824,0.1428032824,GGA+U,C2/c,A2B12CD36E6F2G2_mC244_15_f_6f_e_18f_3f_f_f:Br-C-Co-H-N-O-P,122.0,A2B12CD36E6F2G2_mC244_15_f_6f_e_18f_3f_f_f:Br-C-Co-H-N-O-P +mp-1195995,CoH12C2(Br2N)2,-4.7843124899,-0.5384332285,0.032239985,0.032239985,GGA,P2_1/c,A4B2CD12E2_mP84_14_4e_2e_e_12e_2e:Br-C-Co-H-N,84.0,A4B2CD12E2_mP84_14_4e_2e_e_12e_2e:Br-C-Co-H-N +mp-1201319,CoCBrN4O3,-5.984305622,0.6233001231,1.4694263296,1.4694263296,GGA+U,Pnma,ABCD4E3_oP40_62_c_c_c_2cd_cd:Br-C-Co-N-O,40.0,ABCD4E3_oP40_62_c_c_c_2cd_cd:Br-C-Co-N-O +mp-1202336,CoCBrN4O3,-6.585829772,0.0217759731,0.8679021796,0.8679021796,GGA+U,Pnma,ABCD4E3_oP40_62_c_c_c_2cd_cd:Br-C-Co-N-O,40.0,ABCD4E3_oP40_62_c_c_c_2cd_cd:Br-C-Co-N-O +mp-1202935,CoP2H13C2NO9,-6.0081474056,-1.2454907733,0.090437746,0.090437746,GGA+U,P2_1/c,A2BC13DE9F2_mP112_14_2e_e_13e_e_9e_2e:C-Co-H-N-O-P,112.0,A2BC13DE9F2_mP112_14_2e_e_13e_e_9e_2e:C-Co-H-N-O-P +mp-1195446,CoH24C6Br2(N2O3)2,-5.5272520421,-0.6426496128,0.1549753757,0.1549753757,GGA+U,Cmcm,A2B6CD24E4F6_oC172_63_g_eh_a_2g5h_2e_2fg:Br-C-Co-H-N-O,86.0,A2B6CD24E4F6_oC172_63_g_eh_a_2g5h_2e_2fg:Br-C-Co-H-N-O +mp-1214998,CoH40C10Br2(N2O)10,-6.1938388558,-0.7190574486,0.0060992731,0.0060992731,GGA+U,P2_1/c,A2B10CD40E20F10_mP166_14_e_5e_a_20e_10e_5e:Br-C-Co-H-N-O,166.0,A2B10CD40E20F10_mP166_14_e_5e_a_20e_10e_5e:Br-C-Co-H-N-O +mp-1204541,CoPH8C3N3O7,-6.6601951523,-1.1390764178,0.0861282577,0.0861282577,GGA+U,P2_1/c,A3BC8D3E7F_mP92_14_3e_e_8e_3e_7e_e:C-Co-H-N-O-P,92.0,A3BC8D3E7F_mP92_14_3e_e_8e_3e_7e_e:C-Co-H-N-O-P +mp-1195164,CuBP4H24C8(SF)4,-5.2189201457,-0.6128707364,0.0,-0.0208679511,GGA,P2_1/c,AB8CD4E24F4G4_mP184_14_e_8e_e_4e_24e_4e_4e:B-C-Cu-F-H-P-S,184.0,AB8CD4E24F4G4_mP184_14_e_8e_e_4e_24e_4e_4e:B-C-Cu-F-H-P-S +mp-723065,H2C2S3N2(OF)6,-5.9138643267,-1.3674772506,0.2454168874,0.2454168874,GGA,C2/c,A2B6C2D2E6F3_mC84_15_f_3f_f_f_3f_ef:C-F-H-N-O-S,42.0,A2B6C2D2E6F3_mC84_15_f_3f_f_f_3f_ef:C-F-H-N-O-S +mp-23777,H8C3SN(OF)3,-5.5982249962,-0.973211698,0.2713422353,0.2713422353,GGA,P2_1/c,A3B3C8DE3F_mP76_14_3e_3e_8e_e_3e_e:C-F-H-N-O-S,76.0,"Invalid WP multiplicities - A3B3C8DE3F_mP76_14_4e_3e_11e_e_7e_e:C-F-H-N-O-S, expected H11C4SNO7F3 to be H8C3SN(OF)3" +mp-1105350,H3CSNOF2,-5.3456431822,-0.8290392860000001,0.4460427654,0.4460427654,GGA,P-1,AB2C3DEF_aP18_2_i_2i_3i_i_i_i:C-F-H-N-O-S,18.0,AB2C3DEF_aP18_2_i_2i_3i_i_i_i:C-F-H-N-O-S +mp-1195326,H3CSNOF2,-5.3473937506,-0.8307898544000001,0.444292197,0.444292197,GGA,C2/c,AB2C3DEF_mC72_15_f_2f_3f_f_f_f:C-F-H-N-O-S,36.0,AB2C3DEF_mC72_15_f_2f_3f_f_f_f:C-F-H-N-O-S +mp-555728,H6C3SN3O2F3,-5.864178725,-0.7077286298000001,0.3984420228,0.3984420228,GGA,Pnma,A3B3C6D3E2F_oP72_62_cd_cd_3d_3c_d_c:C-F-H-N-O-S,72.0,"Invalid WP multiplicities - A3B3C6D3E2F_oP72_62_3c3d_3c4d_16d_8c_d_c:C-F-H-N-O-S, expected H32C9SN8O2F11 to be H6C3SN3O2F3" +mp-707466,HC2S2N(O2F3)2,-5.8563614141,-1.4991688929,0.2383022359,0.2383022359,GGA,Pccn,A2B6CDE4F2_oP64_56_e_3e_c_c_2e_e:C-F-H-N-O-S,64.0,A2B6CDE4F2_oP64_56_e_3e_c_c_2e_e:C-F-H-N-O-S +mp-708184,H10C5S2N2(O2F3)2,-5.6454318023,-0.9463936594,0.3466083635,0.3466083635,GGA,P2_1/c,A5B6C10D2E4F2_mP116_14_5e_6e_10e_2e_4e_2e:C-F-H-N-O-S,116.0,A5B6C10D2E4F2_mP116_14_5e_6e_10e_2e_4e_2e:C-F-H-N-O-S +mp-1203926,H13RuC6SN4O8F9,-6.0923708752,-1.2587736361,0.1656052291,0.1656052291,GGA,Cc,A6B9C13D4E8FG_mC168_9_6a_9a_13a_4a_8a_a_a:C-F-H-N-O-Ru-S,84.0,A6B9C13D4E8FG_mC168_9_6a_9a_13a_4a_8a_a_a:C-F-H-N-O-Ru-S +mp-1198838,CuH9C3N(ClO)2,-5.3039323344,-0.6235610444,0.1626786778,0.1626786778,GGA,P2_1/c,A3B2CD9EF2_mP72_14_3e_2e_e_9e_e_2e:C-Cl-Cu-H-N-O,72.0,A3B2CD9EF2_mP72_14_3e_2e_e_9e_e_2e:C-Cl-Cu-H-N-O +mp-721604,CuH4C2S2N2Cl,-5.6301647951,-0.3866757885,0.11425561,0.11425561,GGA,Pbca,A2BCD4E2F2_oP96_61_2c_c_c_4c_2c_2c:C-Cl-Cu-H-N-S,96.0,A2BCD4E2F2_oP96_61_2c_c_c_4c_2c_2c:C-Cl-Cu-H-N-S +mp-707169,CuH4C3ClO2,-5.8638725527,-0.6731433336,0.1511783811,0.1511783811,GGA,Pbca,A3BCD4E2_oP88_61_3c_c_c_4c_2c:C-Cl-Cu-H-O,88.0,A3BCD4E2_oP88_61_3c_c_c_4c_2c:C-Cl-Cu-H-O +mp-1199348,CuH44C12N8(ClO5)2,-5.5138094104,-0.5270683923,0.2151837029,0.2151837029,GGA,P-1,A12B2CD44E8F10_aP77_2_6i_i_a_22i_4i_5i:C-Cl-Cu-H-N-O,77.0,A12B2CD44E8F10_aP77_2_6i_i_a_22i_4i_5i:C-Cl-Cu-H-N-O +mp-1351567,CuH44C12N8(ClO5)2,-3.492420363,1.4943206551,2.2365727503,2.2365727503,GGA,P-1,A12B2CD44E8F10_aP77_2_6i_i_a_22i_4i_5i:C-Cl-Cu-H-N-O,77.0,A12B2CD44E8F10_aP77_2_6i_i_a_22i_4i_5i:C-Cl-Cu-H-N-O +mp-706528,CuH9CSN4Cl3O,-4.8729797088,-0.2811229675,0.4636076371,0.4636076371,GGA,P-1,AB3CD9E4FG_aP40_2_i_3i_i_9i_4i_i_i:C-Cl-Cu-H-N-O-S,40.0,AB3CD9E4FG_aP40_2_i_3i_i_9i_4i_i_i:C-Cl-Cu-H-N-O-S +mp-728315,CuH9CSN4Cl3O,-4.2818451255,0.3100116158,1.0547422203,1.0547422203,GGA,P-1,AB3CD9E4FG_aP40_2_i_3i_i_9i_4i_i_i:C-Cl-Cu-H-N-O-S,40.0,AB3CD9E4FG_aP40_2_i_3i_i_9i_4i_i_i:C-Cl-Cu-H-N-O-S +mp-561308,CuH14C3NCl3O2,-4.928461328,-0.6343425736,0.0857621793,0.0857621793,GGA,P2_1/c,A3B3CD14EF2_mP96_14_3e_3e_ab_14e_e_2e:C-Cl-Cu-H-N-O,96.0,"Invalid WP multiplicities - A3B3CD14EF2_mP96_14_6e_7e_2ab_52e_e_6e:C-Cl-Cu-H-N-O, expected Cu3H104C12N2(Cl7O6)2 to be CuH14C3NCl3O2" +mp-721789,CuH18C4N10(ClO)2,-5.9312397523,-0.5518252268,0.0572402913,0.0572402913,GGA,P-1,A4B2CD18E10F2_aP74_2_4i_2i_i_18i_10i_2i:C-Cl-Cu-H-N-O,74.0,A4B2CD18E10F2_aP74_2_4i_2i_i_18i_10i_2i:C-Cl-Cu-H-N-O +mp-1196734,CuH8C2S2N4Cl,-5.637401392,-0.4615257193,0.0328815041,0.0328815041,GGA,P2_1/c,A2BCD8E4F2_mP144_14_4e_2e_2e_16e_8e_4e:C-Cl-Cu-H-N-S,144.0,A2BCD8E4F2_mP144_14_4e_2e_2e_16e_8e_4e:C-Cl-Cu-H-N-S +mp-698396,CuH4C2NCl3O,-4.8598262925,-0.2801400049,0.5517170436000001,0.5517170436000001,GGA,P-1,A2B3CD4EF_aP24_2_2i_3i_i_4i_i_i:C-Cl-Cu-H-N-O,24.0,A2B3CD4EF_aP24_2_2i_3i_i_4i_i_i:C-Cl-Cu-H-N-O +mp-1196726,CuH14C3S3N6ClO,-5.6410909527,-0.5201629423,0.033654751,0.033654751,GGA,P2/c,A3BCD14E6FG3_mP116_13_3g_g_g_14g_6g_g_3g:C-Cl-Cu-H-N-O-S,116.0,A3BCD14E6FG3_mP116_13_3g_g_g_14g_6g_g_3g:C-Cl-Cu-H-N-O-S +mp-696290,CuH8C4N8(ClO)2,-6.1402826432,-0.2027591575,0.4168442975,0.4168442975,GGA,P-1,A4B2CD8E8F2_aP25_2_2i_i_a_4i_4i_i:C-Cl-Cu-H-N-O,25.0,A4B2CD8E8F2_aP25_2_2i_i_a_4i_4i_i:C-Cl-Cu-H-N-O +mp-1198264,CuH14C2N10(ClO3)2,-5.9341731449,-0.5971200842000001,0.2346966964,0.2346966964,GGA,P2_1/c,A2B2CD14E10F6_mP70_14_e_e_a_7e_5e_3e:C-Cl-Cu-H-N-O,70.0,A2B2CD14E10F6_mP70_14_e_e_a_7e_5e_3e:C-Cl-Cu-H-N-O +mp-1199816,CuH12CN6Cl4O,-5.2199480887,-0.5639325046,0.1569338483,0.1569338483,GGA,Pbca,AB4CD12E6F_oP200_61_c_4c_c_12c_6c_c:C-Cl-Cu-H-N-O,200.0,AB4CD12E6F_oP200_61_c_4c_c_12c_6c_c:C-Cl-Cu-H-N-O +mp-1199396,CuH12C3S3N6Cl,-5.6996208959,-0.4390527614,0.0221266808,0.0221266808,GGA,P4_32_12,A3BCD12E6F3_tP208_96_3b_b_b_12b_6b_3b:C-Cl-Cu-H-N-S,208.0,A3BCD12E6F3_tP208_96_3b_b_b_12b_6b_3b:C-Cl-Cu-H-N-S +mp-3931,SmSF,-6.9076704533,-3.3188321302,0.0,-0.0275460647,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-S-Sm,6.0,ABC_tP6_129_a_c_c:F-S-Sm +mp-1196568,SmH10C6S6N3O17F18,-5.8848416298,-1.5840817442,0.2577637534,0.2577637534,GGA,P2_1/c,A6B18C10D3E17F6G_mP244_14_6e_18e_10e_3e_17e_6e_e:C-F-H-N-O-S-Sm,244.0,A6B18C10D3E17F6G_mP244_14_6e_18e_10e_3e_17e_6e_e:C-F-H-N-O-S-Sm +mp-781997,SmH10S3N3O11,-6.117095153,-1.4571574107,0.0695591983,0.0695591983,GGA,P-1,A10B3C11D3E_aP56_2_10i_3i_11i_3i_i:H-N-O-S-Sm,56.0,"Invalid WP multiplicities - A10B3C11D3E_aP56_2_19i_5i_21i_5i_i:H-N-O-S-Sm, expected SmH19S5N5O21 to be SmH10S3N3O11" +mp-1205082,SmH6C2SNO9,-6.7329991148,-1.7067282856,0.0313170449,0.0313170449,GGA,P2_1/c,A2B6CD9EF_mP80_14_2e_6e_e_9e_e_e:C-H-N-O-S-Sm,80.0,A2B6CD9EF_mP80_14_2e_6e_e_9e_e_e:C-H-N-O-S-Sm +mp-1219205,Sm3SOF5,-7.3203423625,-4.0407131804,0.0007968967,0.0007968967,GGA,Pm,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Sm,20.0,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Sm +mp-1207299,Sm2S2F,-5.074983202,-1.1506730078,1.750356026,1.750356026,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-S-Sm,5.0,AB2C2_tP5_123_a_g_g:F-S-Sm +mp-782002,SmH8S3N3O10,-6.2248024174,-1.4749577781,0.0732220472,0.0732220472,GGA,P-1,A8B3C10D3E_aP50_2_8i_3i_10i_3i_i:H-N-O-S-Sm,50.0,"Invalid WP multiplicities - A8B3C10D3E_aP50_2_15i_5i_19i_5i_i:H-N-O-S-Sm, expected SmH15S5N5O19 to be SmH8S3N3O10" +mp-985610,NaAg(CO2)2,-6.7745085806,-1.4746126898,0.1339931622,0.1339931622,GGA,P-1,AB2CD4_aP16_2_i_2i_i_4i:Ag-C-Na-O,16.0,AB2CD4_aP16_2_i_2i_i_4i:Ag-C-Na-O +mp-985593,NaAg(CO2)2,-6.7748634638,-1.4749675729,0.1336382791,0.1336382791,GGA,P2_1,AB2CD4_mP16_4_a_2a_a_4a:Ag-C-Na-O,16.0,AB2CD4_mP16_4_a_2a_a_4a:Ag-C-Na-O +mp-985594,NaAg(CO2)2,-6.7739781262,-1.4740822354,0.1345236166,0.1345236166,GGA,Pc,AB2CD4_mP16_7_a_2a_a_4a:Ag-C-Na-O,16.0,AB2CD4_mP16_7_a_2a_a_4a:Ag-C-Na-O +mp-605018,NaAgH16C4S4(NO5)2,-5.5064826652,-0.8212448648,0.2699625716,0.2699625716,GGA,Pnna,AB4C16D2EF10G4_oP152_52_d_2e_8e_e_c_5e_2e:Ag-C-H-N-Na-O-S,152.0,"Invalid WP multiplicities - AB4C16D2EF10G4_oP152_52_d_7e_56e_e_c_36e_7e:Ag-C-H-N-Na-O-S, expected NaAgH112C14S14(NO36)2 to be NaAgH16C4S4(NO5)2" +mp-1196131,NaAgH2(SO2)2,-5.263868549,-1.3638497524,0.078783889,0.078783889,GGA,Pc,AB2CD4E2_mP40_7_2a_4a_2a_8a_4a:Ag-H-Na-O-S,40.0,AB2CD4E2_mP40_7_2a_4a_2a_8a_4a:Ag-H-Na-O-S +mp-765463,ErH3(SO4)3,-6.585071198,-2.0316232464,0.0122830201,0.0122830201,GGA,P2_1/c,AB3C12D3_mP76_14_e_3e_12e_3e:Er-H-O-S,76.0,"Invalid WP multiplicities - AB3C12D3_mP76_14_e_9e_45e_7e:Er-H-O-S, expected ErH9S7O45 to be ErH3(SO4)3" +mp-24640,ErH3(SO4)3,-6.5932385818,-2.0397906302,0.0041156363,0.0041156363,GGA,Pbca,AB3C12D3_oP152_61_c_3c_12c_3c:Er-H-O-S,152.0,AB3C12D3_oP152_61_c_3c_12c_3c:Er-H-O-S +mp-860971,ErH(SO4)2,-6.9761171502,-2.3255459603,0.014754593,0.014754593,GGA,P2_1/c,ABC8D2_mP48_14_e_e_8e_2e:Er-H-O-S,48.0,"Invalid WP multiplicities - ABC8D2_mP48_14_e_e_27e_3e:Er-H-O-S, expected ErH(SO9)3 to be ErH(SO4)2" +mp-1195359,ErH10C6S6N3O17F18,-5.8828078557,-1.5845212049,0.2589886391,0.2589886391,GGA,P2_1/c,A6BC18D10E3F17G6_mP244_14_6e_e_18e_10e_3e_17e_6e:C-Er-F-H-N-O-S,244.0,A6BC18D10E3F17G6_mP244_14_6e_e_18e_10e_3e_17e_6e:C-Er-F-H-N-O-S +mp-1198224,ErHSO5,-7.1491923633,-2.5454000785,0.0117177015,0.0117177015,GGA,P2_1/c,ABC5D_mP64_14_2e_2e_10e_2e:Er-H-O-S,64.0,ABC5D_mP64_14_2e_2e_10e_2e:Er-H-O-S +mp-1201685,Er2H8S3O16,-6.4795468862,-2.0714911979,0.0251035987,0.0251035987,GGA,P-1,A2B8C16D3_aP58_2_2i_8i_16i_3i:Er-H-O-S,58.0,A2B8C16D3_aP58_2_2i_8i_16i_3i:Er-H-O-S +mp-1199285,ErH2C2SNO9,-6.9521575533,-1.5269297359,0.4660044375,0.4660044375,GGA,P2_1/c,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Er-H-N-O-S,64.0,A2BC2DE9F_mP64_14_2e_e_2e_e_9e_e:C-Er-H-N-O-S +mp-766250,Er2H16S3O20,-6.1040278588,-1.8415357084,0.0166569098,0.0166569098,GGA,C2/c,A2B16C20D3_mC164_15_f_8f_10f_ef:Er-H-O-S,82.0,"Invalid WP multiplicities - A2B16C20D3_mC164_15_f_29f_37f_ef:Er-H-O-S, expected Er2H58S3O74 to be Er2H16S3O20" +mp-727994,Sn4P3C(NO4)3,-6.9717949277,-1.498898852,0.4283073148,0.4283073148,GGA,P4_3,AB3C12D3E4_tP92_78_a_3a_12a_3a_4a:C-N-O-P-Sn,92.0,AB3C12D3E4_tP92_78_a_3a_12a_3a_4a:C-N-O-P-Sn +mp-1196439,Sn2PH32C11N3Cl2O,-5.1899219729,-0.2443787636,0.1723887267,0.1723887267,GGA,Pnma,A11B2C32D3EFG2_oP208_62_c5d_2c_16d_cd_c_c_2c:C-Cl-H-N-O-P-Sn,208.0,A11B2C32D3EFG2_oP208_62_c5d_2c_16d_cd_c_c_2c:C-Cl-H-N-O-P-Sn +mp-726684,Ba3U2(PO5)4,-8.2642947847,-3.1288903332,0.0212446006,0.0212446006,GGA,P2_1/c,A3B20C4D2_mP58_14_ae_10e_2e_e:Ba-O-P-U,58.0,A3B20C4D2_mP58_14_ae_10e_2e_e:Ba-O-P-U +mp-1203328,Ba4P3HF24,-5.6597588303,-3.3727579383,0.0,-0.050580879,GGA,P-1,A4B24CD3_aP32_2_2i_12i_a_ei:Ba-F-H-P,32.0,A4B24CD3_aP32_2_2i_12i_a_ei:Ba-F-H-P +mp-1201878,BaU2P2O19,-7.3252386092,-1.9370933805,0.3856431101,0.3856431101,GGA,P2_1,AB19C2D2_mP48_4_a_19a_2a_2a:Ba-O-P-U,48.0,AB19C2D2_mP48_4_a_19a_2a_2a:Ba-O-P-U +mp-1192547,Ba2U(PO5)2,-8.3655748973,-3.3373847629,0.0,-0.0093849737,GGA,P-1,A2B10C2D_aP30_2_2i_10i_2i_i:Ba-O-P-U,30.0,A2B10C2D_aP30_2_2i_10i_2i_i:Ba-O-P-U +mp-1103801,Ba2U(PO5)2,-8.3630567493,-3.3348666149,0.002518148,-0.0068668257,GGA,C2/m,A2B10C2D_mC30_12_i_3ij_i_a:Ba-O-P-U,15.0,A2B10C2D_mC30_12_i_3ij_i_a:Ba-O-P-U +mp-1200440,UH2C(OF)3,-7.3079099153,-2.5199068524,0.0530384997,0.0530384997,GGA,C2/c,AB3C2D3E_mC80_15_f_3f_2f_3f_f:C-F-H-O-U,40.0,AB3C2D3E_mC80_15_f_3f_2f_3f_f:C-F-H-O-U +mp-1203857,BaUPO6F,-8.4746786642,-3.4531487951,0.0,-0.0309975448,GGA,P2_1/c,ABC6DE_mP40_14_e_e_6e_e_e:Ba-F-O-P-U,40.0,ABC6DE_mP40_14_e_e_6e_e_e:Ba-F-O-P-U +mp-1196078,PH18C6NF4,-5.230460132,-0.6359009631,0.0849349111,0.0849349111,GGA,Pnma,A6B4C18DE_oP120_62_4cd_2cd_4c7d_c_c:C-F-H-N-P,120.0,A6B4C18DE_oP120_62_4cd_2cd_4c7d_c_c:C-F-H-N-P +mp-1199154,PH12C3N6O5F,-6.3914959287,-1.0173565145,0.0262982596,0.0262982596,GGA,P1,A3BC12D6E5F_aP56_1_6a_2a_24a_12a_10a_2a:C-F-H-N-O-P,56.0,A3BC12D6E5F_aP56_1_6a_2a_24a_12a_10a_2a:C-F-H-N-O-P +mp-558845,PH10C3N2O4F,-6.0331995446,-1.0142574924,0.133758235,0.133758235,GGA,P2_1/c,A3BC10D2E4F_mP84_14_3e_e_10e_2e_4e_e:C-F-H-N-O-P,84.0,"Invalid WP multiplicities - A3BC10D2E4F_mP84_14_12e_e_37e_2e_13e_e:C-F-H-N-O-P, expected PH37C12N2O13F to be PH10C3N2O4F" +mp-555080,PH7CN3O3F,-6.2119216294,-1.2024166175,0.0133863116,0.0133863116,GGA,P2_1/c,ABC7D3E3F_mP64_14_e_e_7e_3e_3e_e:C-F-H-N-O-P,64.0,"Invalid WP multiplicities - ABC7D3E3F_mP64_14_e_e_23e_10e_7e_e:C-F-H-N-O-P, expected PH23CN10O7F to be PH7CN3O3F" +mp-1193739,NaPH6NO4F,-5.7434097139,-1.662915942,0.0229407914,0.0229407914,GGA,Pc,AB6CDE4F_mP28_7_a_6a_a_a_4a_a:F-H-N-Na-O-P,28.0,AB6CDE4F_mP28_7_a_6a_a_a_4a_a:F-H-N-Na-O-P +mp-698449,PH12C2N6O3F,-6.186637727,-0.9324832997,0.0027567809,0.0027567809,GGA,Cm,A2BC12D6E3F_mC100_8_2ab_2a_12b_2a5b_2a2b_2a:C-F-H-N-O-P,50.0,A2BC12D6E3F_mC100_8_2ab_2a_12b_2a5b_2a2b_2a:C-F-H-N-O-P +mp-600215,PH9C2NO3F,-5.633950067,-0.9578790127,0.1534793379,0.1534793379,GGA,Pbca,A2BC9DE3F_oP136_61_2c_c_9c_c_3c_c:C-F-H-N-O-P,136.0,"Invalid WP multiplicities - A2BC9DE3F_oP136_61_9c_c_68c_c_17c_c:C-F-H-N-O-P, expected PH68C9NO17F to be PH9C2NO3F" +mp-738718,Na5P3H48C4N(O9F)3,-5.4476191964,-1.3789425684,0.0495609357,0.0495609357,GGA,P-1,A4B3C48DE5F27G3_aP182_2_4i_3i_48i_i_5i_27i_3i:C-F-H-N-Na-O-P,182.0,A4B3C48DE5F27G3_aP182_2_4i_3i_48i_i_5i_27i_3i:C-F-H-N-Na-O-P +mp-1204896,PH6C(NF2)3,-5.7592914015000005,-1.5547806456000002,0.0,-0.0179248047,GGA,R-3m,AB6C6D3E_hR102_166_c_2h_i_h_ab:C-F-H-N-P,34.0,AB6C6D3E_hR102_166_c_2h_i_h_ab:C-F-H-N-P +mp-697910,K2SiH4(NO)2,-5.6710621818,-1.3271178749,0.0,-0.0108181187,GGA,P2_1/c,A4B2C2D2E_mP44_14_4e_2e_2e_2e_e:H-K-N-O-Si,44.0,A4B2C2D2E_mP44_14_4e_2e_2e_2e_e:H-K-N-O-Si +mp-1198916,KSi2H14C4N,-5.046194279,-0.2866326184,0.0467542237,0.0467542237,GGA,Pnma,A4B14CDE2_oP88_62_2d_7d_c_c_d:C-H-K-N-Si,88.0,A4B14CDE2_oP88_62_2d_7d_c_c_d:C-H-K-N-Si +mp-1212001,K3Si6H6N11,-6.6382376294,-0.9482028038,0.0,-0.0475384079,GGA,P4_132,A6B3C11D6_cP104_213_e_ac_cde_e:H-K-N-Si,104.0,A6B3C11D6_cP104_213_e_ac_cde_e:H-K-N-Si +mp-1199586,KSi7H62C25O6,-5.3129144845,-0.2650589447,0.2478924382,0.2478924382,GGA,P2_1/c,A25B62CD6E7_mP404_14_25e_62e_e_6e_7e:C-H-K-O-Si,404.0,A25B62CD6E7_mP404_14_25e_62e_e_6e_7e:C-H-K-O-Si +mp-1197910,KSi4H27(C3O)3,-5.225489626,-0.4001866749,0.1694128345,0.1694128345,GGA,R-3,A9B27CD3E4_hR1056_148_12f_36f_cf_4f_c5f:C-H-K-O-Si,352.0,A9B27CD3E4_hR1056_148_12f_36f_cf_4f_c5f:C-H-K-O-Si +mp-560223,K2Se(SO3)2,-5.8249343991,-1.8549579106,0.0574066301,0.0574066301,GGA,P2_1/c,A2B6C2D_mP44_14_2e_6e_2e_e:K-O-S-Se,44.0,"Invalid WP multiplicities - A2B6C2D_mP44_14_6e_22e_8e_e:K-O-S-Se, expected K6Se(S4O11)2 to be K2Se(SO3)2" +mp-1212185,K2UC2S2NO8,-7.5268698209,-2.0173421186,0.1167290028,0.1167290028,GGA,P2_1/c,A2B2CD8E2F_mP64_14_2e_2e_e_8e_2e_e:C-K-N-O-S-U,64.0,A2B2CD8E2F_mP64_14_2e_2e_e_8e_2e_e:C-K-N-O-S-U +mp-1212071,K2UC2SeSNO8,-7.339213515,-1.869719462,0.2491456735,0.2491456735,GGA,P2_1/c,A2B2CD8EFG_mP64_14_2e_2e_e_8e_e_e_e:C-K-N-O-S-Se-U,64.0,A2B2CD8EFG_mP64_14_2e_2e_e_8e_e_e_e:C-K-N-O-S-Se-U +mp-733782,K2C6Se2S6N6O,-6.3227521793,-0.0458403851,0.4182082746,0.4182082746,GGA,P-1,A6B2C6DE6F2_aP46_2_6i_2i_6i_i_6i_2i:C-K-N-O-S-Se,46.0,A6B2C6DE6F2_aP46_2_6i_2i_6i_i_6i_2i:C-K-N-O-S-Se +mp-1204915,K2SeS3O7,-5.4581179308,-1.4002040884,0.4300338613,0.4300338613,GGA,P2_1/c,A2B7C3D_mP52_14_2e_7e_3e_e:K-O-S-Se,52.0,A2B7C3D_mP52_14_2e_7e_3e_e:K-O-S-Se +mp-1205251,Si2BH18C31SO3F23,-6.2133773159,-0.8003613772,0.5070146409,0.5070146409,GGA,P-1,AB31C23D18E3FG2_aP158_2_i_31i_23i_18i_3i_i_2i:B-C-F-H-O-S-Si,158.0,AB31C23D18E3FG2_aP158_2_i_31i_23i_18i_3i_i_2i:B-C-F-H-O-S-Si +mp-1194781,B10H14C10S(OF2)3,-5.9719297874,-0.5850178085000001,0.4500609255,0.4500609255,GGA,P2_1/c,A10B10C6D14E3F_mP176_14_10e_10e_6e_14e_3e_e:B-C-F-H-O-S,176.0,A10B10C6D14E3F_mP176_14_10e_10e_6e_14e_3e_e:B-C-F-H-O-S +mp-559162,SiB11H10C4F11,-5.8857072066,-1.2703877857,0.09917483,0.09917483,GGA,P2_1/c,A11B4C11D10E_mP148_14_11e_4e_11e_10e_e:B-C-F-H-Si,148.0,"Invalid WP multiplicities - A11B4C11D10E_mP148_14_43e_14e_40e_38e_e:B-C-F-H-Si, expected SiB43H38(C7F20)2 to be SiB11H10C4F11" +mp-1188087,PtS(NO)4,-5.2168120415,1.1172197317,1.8933972774,1.8933972774,GGA,I4_1/amd,A4B4CD_tI40_141_g_h_a_b:N-O-Pt-S,20.0,A4B4CD_tI40_141_g_h_a_b:N-O-Pt-S +mp-1194493,PtS2NO9,-5.8424949104,-0.6732082658,0.5943588506,0.5943588506,GGA,P-1,AB9CD2_aP26_2_i_9i_i_2i:N-O-Pt-S,26.0,AB9CD2_aP26_2_i_9i_i_2i:N-O-Pt-S +mp-1104583,PtS2(NO2)4,-5.570304516,0.2472636469,1.277108977,1.277108977,GGA,C2/m,A4B8CD2_mC30_12_gi_2ij_a_i:N-O-Pt-S,15.0,A4B8CD2_mC30_12_gi_2ij_a_i:N-O-Pt-S +mp-1180048,Pt3S3NO14,-6.2014090446,-1.0484144521,0.1929095521,0.1929095521,GGA,R-3,AB14C3D3_hR252_148_2c_c9f_2f_2f:N-O-Pt-S,84.0,AB14C3D3_hR252_148_2c_c9f_2f_2f:N-O-Pt-S +mp-616240,K2PtC4(SN)4,-6.4651337887,-0.1252422986,0.3774532459,0.3774532459,GGA,P2_1/c,A4B2C4DE4_mP30_14_2e_e_2e_a_2e:C-K-N-Pt-S,30.0,"Invalid WP multiplicities - A4B2C4DE4_mP30_14_4e_e_3e_a_3e:C-K-N-Pt-S, expected K2PtC8(SN)6 to be K2PtC4(SN)4" +mp-1197127,PtC2(SN2)2,-6.4158534875,0.9338513724,1.1620918631,1.1620918631,GGA,P2_1/c,A2B4CD2_mP36_14_2e_4e_e_2e:C-N-Pt-S,36.0,A2B4CD2_mP36_14_2e_4e_e_2e:C-N-Pt-S +mp-680247,K3P6S6N7,-6.2112975106,-0.8028804398,0.0152304457,0.0152304457,GGA,R-3c,A3B7C6D6_hR264_167_f_c2f_2f_2f:K-N-P-S,88.0,"Invalid WP multiplicities - A3B7C6D6_hR264_167_f_3c15f_14f_16f:K-N-P-S, expected KP14(SN)16 to be K3P6S6N7" +mp-1197039,K2P4PtCSNO11,-6.5887414914,-1.5382497129,0.6191907082,0.6191907082,GGA,P-1,AB2CD11E4FG_aP42_2_i_2i_i_11i_4i_i_i:C-K-N-O-P-Pt-S,42.0,AB2CD11E4FG_aP42_2_i_2i_i_11i_4i_i_i:C-K-N-O-P-Pt-S +mp-1200993,MoH14C6N2(O2F)2,-6.0452247378,-0.7349312783,0.2133005205,0.2133005205,GGA+U,C2/c,A6B2C14DE2F4_mC116_15_3f_f_7f_e_f_2f:C-F-H-Mo-N-O,58.0,A6B2C14DE2F4_mC116_15_3f_f_7f_e_f_2f:C-F-H-Mo-N-O +mp-1106163,MoN2OF5,-5.2003560994,-0.5311645985,1.3694572813,1.3694572813,GGA+U,Cmc2_1,A5BC2D_oC36_36_a2b_a_2a_a:F-Mo-N-O,18.0,A5BC2D_oC36_36_a2b_a_2a_a:F-Mo-N-O +mp-744190,K2Mo2H12C4N(OF3)3,-5.6245951088,-1.3240089151,0.2790110446,0.2790110446,GGA+U,Aem2,A4B9C12D2E2FG3_oC132_39_2d_c4d_6d_2c_d_a_cd:C-F-H-K-Mo-N-O,66.0,A4B9C12D2E2FG3_oC132_39_2d_c4d_6d_2c_d_a_cd:C-F-H-K-Mo-N-O +mp-1199601,K3Mo2HCO13,-6.3601228965,-1.2625808043,0.4831143307,0.4831143307,GGA+U,Pca2_1,ABC3D2E13_oP80_29_a_a_3a_2a_13a:C-H-K-Mo-O,80.0,ABC3D2E13_oP80_29_a_a_3a_2a_13a:C-H-K-Mo-O +mp-698406,MoH12N3O5F3,-5.4715966288,-1.0117746336,0.3184203672,0.3184203672,GGA+U,P2_12_12_1,A3B12CD3E5_oP96_19_3a_12a_a_3a_5a:F-H-Mo-N-O,96.0,A3B12CD3E5_oP96_19_3a_12a_a_3a_5a:F-H-Mo-N-O +mp-1196938,K2Mo2H4C4O15,-7.2286444852,-1.7250150432,0.0987123805,0.0987123805,GGA+U,P2_1/c,A4B4C2D2E15_mP54_14_2e_2e_e_e_a7e:C-H-K-Mo-O,54.0,A4B4C2D2E15_mP54_14_2e_2e_e_e_a7e:C-H-K-Mo-O +mp-600211,Mo2H26C8N2O5F6,-5.6701610865,-0.8414507081,0.1676060269,0.1676060269,GGA+U,Pca2_1,A8B6C26D2E2F5_oP196_29_8a_6a_26a_2a_2a_5a:C-F-H-Mo-N-O,196.0,"Invalid WP multiplicities - A8B6C26D2E2F5_oP196_29_29a_21a_101a_5a_5a_18a:C-F-H-Mo-N-O, expected Mo5H101C29N5(O6F7)3 to be Mo2H26C8N2O5F6" +mp-732039,MoH8N2O5F2,-5.5753574386,-0.9521991158,0.4551580215,0.4551580215,GGA+U,P-1,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O,36.0,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O +mp-1180509,MoH8N2O5F2,-5.6140602164,-0.9909018935,0.4164552438,0.4164552438,GGA+U,P-1,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O,36.0,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O +mp-1238493,MoH8N2O5F2,-5.4361086111,-0.8129502883,0.5944068490000001,0.5944068490000001,GGA+U,P-1,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O,36.0,A2B8CD2E5_aP36_2_2i_8i_i_2i_5i:F-H-Mo-N-O +mp-1221541,MoN3(OF)3,-5.750034845,-0.1070710529,1.3684699909,1.3684699909,GGA+U,Fmm2,A3BC3D3_oF40_42_ac_a_ab_ad:F-Mo-N-O,10.0,A3BC3D3_oF40_42_ac_a_ab_ad:F-Mo-N-O +mp-1203895,KMo2H29C9O11,-5.6651269148,-0.6908515354,0.2018576375,0.2018576375,GGA+U,P-1,A9B29CD2E11_aP104_2_9i_29i_i_2i_11i:C-H-K-Mo-O,104.0,A9B29CD2E11_aP104_2_9i_29i_i_2i_11i:C-H-K-Mo-O +mp-1199664,MoN2O3F2,-6.4291425272,-0.6564345236,0.8941040416,0.8941040416,GGA+U,P2_12_12_1,A2BC2D3_oP32_19_2a_a_2a_3a:F-Mo-N-O,32.0,A2BC2D3_oP32_19_2a_a_2a_3a:F-Mo-N-O +mp-1196295,Mo2N3O4F5,-5.952366027,-0.5205849786,1.2721531526,1.2721531526,GGA+U,Pnnm,A5B2C3D4_oP56_58_g2h_2g_3g_2gh:F-Mo-N-O,56.0,A5B2C3D4_oP56_58_g2h_2g_3g_2gh:F-Mo-N-O +mp-1210624,MoH8(NF2)3,-5.3055535572,-1.1685637211,0.3208052596,0.3208052596,GGA+U,Fm-3m,A6B8CD3_cF72_225_e_f_a_bc:F-H-Mo-N,18.0,A6B8CD3_cF72_225_e_f_a_bc:F-H-Mo-N +mp-728891,MoH6NO3F2,-5.9236931858,-1.4466527724,0.0502211765,0.0502211765,GGA+U,C2/c,A2B6CDE3_mC104_15_2f_6f_f_2e_3f:F-H-Mo-N-O,52.0,A2B6CDE3_mC104_15_2f_6f_f_2e_3f:F-H-Mo-N-O +mp-728422,MoH12N3O3F5,-5.4396662276,-1.2327783778,0.1715352478,0.1715352478,GGA+U,Pbca,A5B12CD3E3_oP192_61_5c_12c_c_3c_3c:F-H-Mo-N-O,192.0,A5B12CD3E3_oP192_61_5c_12c_c_3c_3c:F-H-Mo-N-O +mp-557603,K2MoH2(CO4)2,-7.0110293697,-1.8188466517,0.0948336573,0.0948336573,GGA+U,P2_1/c,A2B2C2DE8_mP60_14_2e_2e_2e_e_8e:C-H-K-Mo-O,60.0,"Invalid WP multiplicities - A2B2C2DE8_mP60_14_5e_4e_5e_e_29e:C-H-K-Mo-O, expected K5MoH4C5O29 to be K2MoH2(CO4)2" +mp-1211490,KMoH8(NF3)2,-5.3724534817,-1.6369134221,0.0277777539,0.0277777539,GGA+U,Fm-3m,A6B8CDE2_cF72_225_e_f_a_b_c:F-H-K-Mo-N,18.0,A6B8CDE2_cF72_225_e_f_a_b_c:F-H-K-Mo-N +mp-698397,SnH24C6N2(OF3)2,-5.2384313332,-0.8764256998000001,0.0766666077,0.0766666077,GGA,C2/m,A6B6C24D2E2F_mC82_12_ij_ij_2i5j_i_i_a:C-F-H-N-O-Sn,41.0,A6B6C24D2E2F_mC82_12_ij_ij_2i5j_i_i_a:C-F-H-N-O-Sn +mp-558106,SnH58C16S4(N11O9)2,-5.9648184804,-0.6082183547000001,0.177648179,0.177648179,GGA,P-1,A16B58C22D18E4F_aP119_2_8i_29i_11i_9i_2i_a:C-H-N-O-S-Sn,119.0,"Invalid WP multiplicities - A16B58C22D18E4F_aP119_2_16i_56i_21i_18i_4i_a:C-H-N-O-S-Sn, expected SnH112C32S8(N7O6)6 to be SnH58C16S4(N11O9)2" +mp-738663,Sn2H10C4N2O9F2,-6.2916205347,-1.3303373514,0.0462366114,0.0462366114,GGA,P2_1/c,A4B2C10D2E9F2_mP116_14_4e_2e_10e_2e_9e_2e:C-F-H-N-O-Sn,116.0,A4B2C10D2E9F2_mP116_14_4e_2e_10e_2e_9e_2e:C-F-H-N-O-Sn +mp-696993,Sn2H2SO5F2,-5.8423541837,-1.8842335872,0.0233250558,0.0233250558,GGA,P2_1/c,A2B2C5DE2_mP48_14_2e_2e_5e_e_2e:F-H-O-S-Sn,48.0,A2B2C5DE2_mP48_14_2e_2e_5e_e_2e:F-H-O-S-Sn +mp-556146,SnCSNF,-6.3824420435,-0.8579098221,0.1260119958,0.1260119958,GGA,Pnma,ABCDE_oP20_62_c_c_c_c_c:C-F-N-S-Sn,20.0,ABCDE_oP20_62_c_c_c_c_c:C-F-N-S-Sn +mp-1198138,SnH4SNO4F,-5.7829584473,-1.4703205607,0.0024042552,0.0024042552,GGA,P2_1/c,AB4CD4EF_mP48_14_e_4e_e_4e_e_e:F-H-N-O-S-Sn,48.0,AB4CD4EF_mP48_14_e_4e_e_4e_e_e:F-H-N-O-S-Sn +mp-1238095,SnH4SNO4F,-5.6468878490000005,-1.3342499623,0.1384748535,0.1384748535,GGA,P2_1/c,AB4CD4EF_mP48_14_e_4e_e_4e_e_e:F-H-N-O-S-Sn,48.0,AB4CD4EF_mP48_14_e_4e_e_4e_e_e:F-H-N-O-S-Sn +mp-561270,SnH4C2NO4F,-6.4180421592,-1.3355394087,0.0519407013,0.0519407013,GGA,P2_1/c,A2BC4DE4F_mP52_14_2e_e_4e_e_4e_e:C-F-H-N-O-Sn,52.0,"Invalid WP multiplicities - A2BC4DE4F_mP52_14_7e_e_14e_e_14e_e:C-F-H-N-O-Sn, expected SnH14C7NO14F to be SnH4C2NO4F" +mp-554187,SnH21C7S4N(O3F)2,-5.2901124644,-0.5700443253,0.325156862,0.325156862,GGA,P-1,A7B2C21DE6F4G_aP84_2_7i_2i_21i_i_6i_4i_i:C-F-H-N-O-S-Sn,84.0,"Invalid WP multiplicities - A7B2C21DE6F4G_aP84_2_14i_3i_42i_i_12i_7i_i:C-F-H-N-O-S-Sn, expected SnH42C14S7N(O4F)3 to be SnH21C7S4N(O3F)2" +mp-1202452,SnH12C6S2(NO)2,-5.8081983603000005,-0.4108565861,0.1526047769,0.1526047769,GGA,P2_1/c,A6B12C2D2E2F_mP100_14_6e_12e_2e_2e_2e_e:C-H-N-O-S-Sn,100.0,A6B12C2D2E2F_mP100_14_6e_12e_2e_2e_2e_e:C-H-N-O-S-Sn +mp-1199360,SnH7C3NO5F,-6.1600927,-1.1364222502,0.1123958927,0.1123958927,GGA,P-1,A3BC7DE5F_aP36_2_3i_i_7i_i_5i_i:C-F-H-N-O-Sn,36.0,A3BC7DE5F_aP36_2_3i_i_7i_i_5i_i:C-F-H-N-O-Sn +mp-1209071,SnC2(NF)6,-5.5449477133,0.0520353663,1.3323203202,1.3323203202,GGA,Cm,A2B6C6D_mC30_8_2a_2a2b_2a2b_a:C-F-N-Sn,15.0,"Invalid WP multiplicities - A2B6C6D_mC30_12_i_ij_2i2j_a:C-F-N-Sn, expected SnC2(N2F)6 to be SnC2(NF)6" +mp-729075,Sn5C6S9(NO)2,-5.9417518853,-0.1411573726,0.500680254,0.500680254,GGA,P-4n2,A6B2C2D9E5_tP96_118_3i_i_i_f4i_e2i:C-N-O-S-Sn,96.0,A6B2C2D9E5_tP96_118_3i_i_i_f4i_e2i:C-N-O-S-Sn +mp-1210798,PrS2NO12,-5.644343378,-0.5974330687,1.1369948849,1.1369948849,GGA,P2_1/c,AB12CD2_mP64_14_e_12e_e_2e:N-O-Pr-S,64.0,AB12CD2_mP64_14_e_12e_e_2e:N-O-Pr-S +mp-735777,PrC19S6N9O2,-7.3206550918,0.5135633153,0.8835267928,0.8835267928,GGA,P2_1,A19B9C2DE6_mP74_4_19a_9a_2a_a_6a:C-N-O-Pr-S,74.0,A19B9C2DE6_mP74_4_19a_9a_2a_a_6a:C-N-O-Pr-S +mp-1197717,PrH8C2S2I3N4O9,-5.6094152398,-0.7494420679,0.5789512216,0.5789512216,GGA,C2/c,A2B8C3D4E9FG2_mC116_15_f_4f_cf_2f_e4f_e_f:C-H-I-N-O-Pr-S,,A2B8C3D4E9FG2_mC116_15_f_4f_af_2f_e4f_e_f:C-H-I-N-O-Pr-S +mp-1209390,PrS2NO8,-6.7409357996,-1.6606182909,0.5008634683000001,0.5008634683000001,GGA,P2_1/m,AB8CD2_mP24_11_e_4e2f_e_2e:N-O-Pr-S,24.0,AB8CD2_mP24_11_e_4e2f_e_2e:N-O-Pr-S +mp-1209394,PrS3(NO3)3,-6.6286311522,-1.2086349939,0.6113224211,0.6113224211,GGA,P6_3/m,A3B9CD3_hP32_176_h_hi_c_h:N-O-Pr-S,32.0,A3B9CD3_hP32_176_h_hi_c_h:N-O-Pr-S +mp-1202097,PrH3CSO7,-6.8663878681,-2.0240016967,0.0313868115,0.0313868115,GGA,P4_1,AB3C7DE_tP52_76_a_3a_7a_a_a:C-H-O-Pr-S,52.0,AB3C7DE_tP52_76_a_3a_7a_a_a:C-H-O-Pr-S +mp-1202833,PrH3CSO7,-6.8660479185,-2.0236617471,0.0317267611,0.0317267611,GGA,P4_3,AB3C7DE_tP52_78_a_3a_7a_a_a:C-H-O-Pr-S,52.0,AB3C7DE_tP52_78_a_3a_7a_a_a:C-H-O-Pr-S +mp-1205148,PrH20S4N5O16,-5.9315881603000005,-1.3661377228,0.0053428964,0.0053428964,GGA,Cc,A20B5C16DE4_mC184_9_20a_5a_16a_a_4a:H-N-O-Pr-S,92.0,A20B5C16DE4_mC184_9_20a_5a_16a_a_4a:H-N-O-Pr-S +mp-707900,PrH20S4N5O16,-5.9280482051,-1.3625977676,0.0088828516,0.0088828516,GGA,C2/c,A20B5C16DE4_mC184_15_10f_e2f_8f_e_2f:H-N-O-Pr-S,92.0,A20B5C16DE4_mC184_15_10f_e2f_8f_e_2f:H-N-O-Pr-S +mp-1217635,Tb3SOF5,-7.322341317,-4.0679781454,0.0053680628,0.0053680628,GGA,Pm,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Tb,20.0,A5BCD3_mP20_6_4a6b_2a_ab_3a3b:F-O-S-Tb +mp-1195523,TbH10C6S6N3O17F18,-5.8846132661,-1.5852340368,0.2580145464,0.2580145464,GGA,P2_1/c,A6B18C10D3E17F6G_mP244_14_6e_18e_10e_3e_17e_6e_e:C-F-H-N-O-S-Tb,244.0,A6B18C10D3E17F6G_mP244_14_6e_18e_10e_3e_17e_6e_e:C-F-H-N-O-S-Tb +mp-18164,Tb3S3N,-7.1982045,-2.2483555249,0.0,-0.0267479068,GGA,Pnma,AB3C3_oP28_62_c_3c_3c:N-S-Tb,28.0,"Invalid WP multiplicities - AB3C3_oP28_62_c_5c_3c:N-S-Tb, expected Tb3S5N to be Tb3S3N" +mp-1203992,TbH2C2SNO9,-6.9592738866,-1.5298806136,0.4562603209,0.4562603209,GGA,P2_1/c,A2B2CD9EF_mP64_14_2e_2e_e_9e_e_e:C-H-N-O-S-Tb,64.0,A2B2CD9EF_mP64_14_2e_2e_e_9e_e_e:C-H-N-O-S-Tb +mp-1207254,Tb2S2F,-4.802063744,-0.9114415638,1.984997817,1.984997817,GGA,P4/mmm,AB2C2_tP5_123_a_g_g:F-S-Tb,5.0,AB2C2_tP5_123_a_g_g:F-S-Tb +mp-10930,TbSF,-6.8826856083,-3.3219206302,0.0,-0.0163379003,GGA,P4/nmm,ABC_tP6_129_a_c_c:F-S-Tb,6.0,ABC_tP6_129_a_c_c:F-S-Tb +mp-1209730,TbH8C21(O2F3)5,-6.7583431444,-1.2362118457,0.2876133101,0.2876133101,GGA,P-1,A21B15C8D10E_aP110_2_21i_15i_8i_10i_i:C-F-H-O-Tb,110.0,A21B15C8D10E_aP110_2_21i_15i_8i_10i_i:C-F-H-O-Tb +mp-733998,TbH12S2NO12,-5.9645872984,-1.6318466615,0.0165976224,0.0165976224,GGA,P2_1/c,A12BC12D2E_mP112_14_12e_e_12e_2e_e:H-N-O-S-Tb,112.0,A12BC12D2E_mP112_14_12e_e_12e_2e_e:H-N-O-S-Tb +mp-1200643,KHCS2N,-5.5673835746,-0.5105193840000001,0.1256382618,0.1256382618,GGA,Pbcn,ABCDE2_oP48_60_d_d_d_d_2d:C-H-K-N-S,48.0,ABCDE2_oP48_60_d_d_d_d_2d:C-H-K-N-S +mp-24179,KH6C2S2NO4,-5.619967868,-0.8499531364,0.2789185074,0.2789185074,GGA,P2_1/c,A2B6CDE4F2_mP64_14_2e_6e_e_e_4e_2e:C-H-K-N-O-S,64.0,"Invalid WP multiplicities - A2B6CDE4F2_mP64_14_4e_6e_e_e_7e_2e:C-H-K-N-O-S, expected KH6C4S2NO7 to be KH6C2S2NO4" +mp-722245,K2H2C2S2N2O,-5.9848557043,-0.7706594076000001,0.0907539197,0.0907539197,GGA,Pnma,A2B2C2D2EF2_oP44_62_2c_2c_d_2c_c_2c:C-H-K-N-O-S,44.0,A2B2C2D2EF2_oP44_62_2c_2c_d_2c_c_2c:C-H-K-N-O-S +mp-1212156,KH3CSN2O,-5.4352849633,-0.2937992964,0.539666858,0.539666858,GGA,P2_1/c,AB3CD2EF_mP36_14_e_3e_e_2e_e_e:C-H-K-N-O-S,36.0,AB3CD2EF_mP36_14_e_3e_e_2e_e_e:C-H-K-N-O-S +mp-696056,K2H4PtC6S6(N3O)2,-6.4473489357,-0.4486128423,0.2072383968,0.2072383968,GGA,P2_1/c,A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e:C-H-K-N-O-Pt-S,54.0,A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e:C-H-K-N-O-Pt-S +mp-1202135,H48PtC32S4(N3O4)2,-6.0130154981,-0.2516260239,0.2409484102,0.2409484102,GGA,P2_1/c,A32B48C6D8EF4_mP198_14_16e_24e_3e_4e_a_2e:C-H-N-O-Pt-S,198.0,A32B48C6D8EF4_mP198_14_16e_24e_3e_4e_a_2e:C-H-N-O-Pt-S +mp-1204319,H22Pt2C6SO6,-5.2659668778,-0.5099989124000001,0.2352437501,0.2352437501,GGA,P2_1,A6B22C6D2E_mP74_4_6a_22a_6a_2a_a:C-H-O-Pt-S,74.0,A6B22C6D2E_mP74_4_6a_22a_6a_2a_a:C-H-O-Pt-S +mp-1237358,H22Pt2C6SO6,-5.1073608447,-0.3513928793,0.3938497832,0.3938497832,GGA,P2_1,A6B22C6D2E_mP74_4_6a_22a_6a_2a_a:C-H-O-Pt-S,74.0,A6B22C6D2E_mP74_4_6a_22a_6a_2a_a:C-H-O-Pt-S +mp-698312,K4H4PtC6S2(NO6)2,-6.3824572532,-1.099819177,0.4320961973,0.4320961973,GGA,P-1,A6B4C4D2E12FG2_aP31_2_3i_2i_2i_i_6i_a_i:C-H-K-N-O-Pt-S,31.0,A6B4C4D2E12FG2_aP31_2_3i_2i_2i_i_6i_a_i:C-H-K-N-O-Pt-S +mp-1233983,MgH4C4S4(OF)12,-5.7372380281,-1.6580580872,0.3181609522,0.3181609522,GGA,P1,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S,37.0,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S +mp-1234282,MgH4C4S4(OF)12,-5.7806921973000005,-1.7015122564,0.274706783,0.274706783,GGA,P1,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S,37.0,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S +mp-1234857,MgH4C4S4(OF)12,-5.7439873005,-1.6648073597000002,0.3114116798,0.3114116798,GGA,P1,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S,37.0,A4B12C4DE12F4_aP37_1_4a_12a_4a_a_12a_4a:C-F-H-Mg-O-S +mp-1180975,MgC4S4N2(O4F3)4,-5.3541445249,-0.8972599524,1.0558059831,1.0558059831,GGA,P2_1/c,A4B12CD2E16F4_mP78_14_2e_6e_a_e_8e_2e:C-F-Mg-N-O-S,78.0,A4B12CD2E16F4_mP78_14_2e_6e_a_e_8e_2e:C-F-Mg-N-O-S +mp-697653,MgH8(NF2)2,-5.1263641817,-1.5889645730000002,0.0304140183,0.0304140183,GGA,P2_1/c,A4B8CD2_mP60_14_4e_8e_ad_2e:F-H-Mg-N,60.0,A4B8CD2_mP60_14_4e_8e_ab_2e:F-H-Mg-N +mp-556025,MgH8C2S2(NO2)2,-5.8516116684,-1.0130819935,0.0820676007,0.0820676007,GGA,P2_1/c,A2B8CD2E4F2_mP38_14_e_4e_a_e_2e_e:C-H-Mg-N-O-S,38.0,"Invalid WP multiplicities - A2B8CD2E4F2_mP38_14_e_14e_a_e_5e_e:C-H-Mg-N-O-S, expected MgH28C2S2(NO5)2 to be MgH8C2S2(NO2)2" +mp-707938,MgH18C4SN8O9,-6.2480741424,-1.0058151546,0.0113977305,0.0113977305,GGA,P2_1/c,A4B18CD8E9F_mP164_14_4e_18e_e_8e_9e_e:C-H-Mg-N-O-S,164.0,A4B18CD8E9F_mP164_14_4e_18e_e_8e_9e_e:C-H-Mg-N-O-S +mp-1210735,MgH8C6S2(NO4)2,-6.5900490174,-1.08510529,0.1129807181,0.1129807181,GGA,P-1,A6B8CD2E8F2_aP27_2_3i_4i_a_i_4i_i:C-H-Mg-N-O-S,27.0,A6B8CD2E8F2_aP27_2_3i_4i_a_i_4i_i:C-H-Mg-N-O-S +mp-1202028,MgH12C4(S2O3)2,-5.5785151672,-0.9320860452,0.0980497002,0.0980497002,GGA,C2/c,A4B12CD6E4_mC108_15_2f_6f_e_3f_2f:C-H-Mg-O-S,54.0,A4B12CD6E4_mC108_15_2f_6f_e_3f_2f:C-H-Mg-O-S +mp-1204393,MgH12C3SO7,-5.5886585461,-1.0568977164,0.1812973213,0.1812973213,GGA,P2_1/c,A3B12CD7E_mP96_14_3e_12e_e_7e_e:C-H-Mg-O-S,96.0,A3B12CD7E_mP96_14_3e_12e_e_7e_e:C-H-Mg-O-S +mp-1195604,MgH30C2(SO9)2,-5.4044166323,-1.2694602375,0.0665845609,0.0665845609,GGA,R-3,A2B30CD18E2_hR159_148_c_5f_a_3f_c:C-H-Mg-O-S,53.0,A2B30CD18E2_hR159_148_c_5f_a_3f_c:C-H-Mg-O-S +mp-1211267,MgC2S2(N3O7)2,-5.5094397134,0.3946851777,1.8029495311,1.8029495311,GGA,P2_1/c,A2BC6D14E2_mP50_14_e_a_3e_7e_e:C-Mg-N-O-S,50.0,A2BC6D14E2_mP50_14_e_a_3e_7e_e:C-Mg-N-O-S +mp-1202086,Mg3H43C12O12F,-5.3118631935,-0.7667393978,0.1554964673,0.1554964673,GGA,P2_1/c,A12BC43D3E12_mP284_14_12e_e_43e_3e_12e:C-F-H-Mg-O,284.0,A12BC43D3E12_mP284_14_12e_e_43e_3e_12e:C-F-H-Mg-O +mp-606304,MgH16C4S4N2(O4F3)4,-5.2446684989,-1.0973573162,0.6081355819,0.6081355819,GGA,P2_1/c,A4B12C16DE2F16G4_mP110_14_2e_6e_8e_a_e_8e_2e:C-F-H-Mg-N-O-S,110.0,"Invalid WP multiplicities - A4B12C16DE2F16G4_mP110_14_5e_22e_31e_a_e_28e_6e:C-F-H-Mg-N-O-S, expected MgH62C10S12N2(O14F11)4 to be MgH16C4S4N2(O4F3)4" +mp-1181934,MgH16C4S4N2(O4F3)4,-5.3200453742,-1.1727341915,0.5327587066,0.5327587066,GGA,P2_1/c,A4B12C16DE2F16G4_mP110_14_2e_6e_8e_a_e_8e_2e:C-F-H-Mg-N-O-S,110.0,"Invalid WP multiplicities - A4B12C16DE2F16G4_mP110_14_5e_22e_31e_a_e_28e_6e:C-F-H-Mg-N-O-S, expected MgH62C10S12N2(O14F11)4 to be MgH16C4S4N2(O4F3)4" +mp-1182733,MgH16C4S4N2(O4F3)4,-5.1642088203,-1.0168976376,0.6885952605,0.6885952605,GGA,P2_1/c,A4B12C16DE2F16G4_mP110_14_2e_6e_8e_a_e_8e_2e:C-F-H-Mg-N-O-S,110.0,"Invalid WP multiplicities - A4B12C16DE2F16G4_mP110_14_5e_22e_31e_a_e_28e_6e:C-F-H-Mg-N-O-S, expected MgH62C10S12N2(O14F11)4 to be MgH16C4S4N2(O4F3)4" +mp-1247505,CoWN3,-9.0522036695,-0.0370171095,0.3160954605,0.3160954605,GGA,P-1,AB3C_aP20_2_2i_6i_2i:Co-N-W,20.0,AB3C_aP20_2_2i_6i_2i:Co-N-W +mp-1203870,CoH12C8S2(N3O)2,-6.2798043787,-0.1560753148,0.3581858974,0.3581858974,GGA+U,P2_1/c,A8BC12D6E2F2_mP62_14_4e_a_6e_3e_e_e:C-Co-H-N-O-S,62.0,A8BC12D6E2F2_mP62_14_4e_a_6e_3e_e_e:C-Co-H-N-O-S +mp-1200270,CoH20C4SO10,-5.5009136746,-0.9042237401,0.2041029033,0.2041029033,GGA+U,R-3c,A4BC20D10E_hR648_167_2f_e_10f_5f_e:C-Co-H-O-S,216.0,A4BC20D10E_hR648_167_2f_e_10f_5f_e:C-Co-H-O-S +mp-1247444,Co6WN4,-8.0794518295,0.0072769614,0.1904252427,0.1904252427,GGA,P4_2/nmc,A6B4C_tP22_137_df_g_a:Co-N-W,22.0,A6B4C_tP22_137_df_g_a:Co-N-W +mp-600168,CoH9C6(S2O)3,-5.7182385252,-0.4112941056,0.2412314399,0.2412314399,GGA+U,P2_1/c,A6BC9D3E6_mP100_14_6e_e_9e_3e_6e:C-Co-H-O-S,100.0,"Invalid WP multiplicities - A6BC9D3E6_mP100_14_21e_e_33e_9e_21e:C-Co-H-O-S, expected CoH33C21(S7O3)3 to be CoH9C6(S2O)3" +mp-1198207,H12WC2(S2N)2,-5.4627489893,-0.4462269382,0.0396992695,0.0396992695,GGA,Pnma,A2B12C2D4E_oP84_62_2c_4c4d_2c_2cd_c:C-H-N-S-W,84.0,A2B12C2D4E_oP84_62_2c_4c4d_2c_2cd_c:C-H-N-S-W +mp-600234,CoH32C8S4(NO5)2,-5.2557867379,-0.4805139027,0.3463497904,0.3463497904,GGA+U,P2_1/c,A8BC32D2E10F4_mP114_14_4e_a_16e_e_5e_2e:C-Co-H-N-O-S,114.0,"Invalid WP multiplicities - A8BC32D2E10F4_mP114_14_13e_a_60e_e_17e_5e:C-Co-H-N-O-S, expected CoH120C26S10(NO17)2 to be CoH32C8S4(NO5)2" +mp-654887,CoH32C8S4(NO5)2,-5.1259872424,-0.3507144072,0.4761492859,0.4761492859,GGA+U,P2_1/c,A8BC32D2E10F4_mP114_14_4e_a_16e_e_5e_2e:C-Co-H-N-O-S,114.0,"Invalid WP multiplicities - A8BC32D2E10F4_mP114_14_13e_a_60e_e_17e_5e:C-Co-H-N-O-S, expected CoH120C26S10(NO17)2 to be CoH32C8S4(NO5)2" +mp-1182055,CoH32C8S4(NO5)2,-5.2351192195,-0.4598463843,0.3670173088,0.3670173088,GGA+U,P2_1/c,A8BC32D2E10F4_mP114_14_4e_a_16e_e_5e_2e:C-Co-H-N-O-S,114.0,"Invalid WP multiplicities - A8BC32D2E10F4_mP114_14_13e_a_60e_e_17e_5e:C-Co-H-N-O-S, expected CoH120C26S10(NO17)2 to be CoH32C8S4(NO5)2" +mp-1182596,CoH32C8S4(NO5)2,-5.4226558811,-0.6473830460000001,0.1794806472,0.1794806472,GGA+U,P2_1/c,A8BC32D2E10F4_mP114_14_4e_a_16e_e_5e_2e:C-Co-H-N-O-S,114.0,A8BC32D2E10F4_mP114_14_4e_a_16e_e_5e_2e:C-Co-H-N-O-S +mp-743619,CoH6C2S2N2O3,-6.0429147934,-0.6861672455000001,0.2244365402,0.2244365402,GGA+U,C2/c,A2BC6D2E3F2_mC64_15_f_c_3f_f_ef_f:C-Co-H-N-O-S,32.0,A2BC6D2E3F2_mC64_15_f_a_3f_f_ef_f:C-Co-H-N-O-S +mp-744689,CoH18C6SO10,-5.4549195124,-0.5340107197,0.5412424191,0.5412424191,GGA+U,P2_1/c,A6BC18D10E_mP144_14_6e_e_18e_10e_e:C-Co-H-O-S,144.0,A6BC18D10E_mP144_14_6e_e_18e_10e_e:C-Co-H-O-S +mp-541595,Co3W3N,-9.9228257939,-0.1319916511,0.0702843068,0.0702843068,GGA,Fd-3m,A3BC3_cF112_227_ce_d_f:Co-N-W,28.0,A3BC3_cF112_227_ce_d_f:Co-N-W +mp-1198847,CoH24C2S2(N3O7)2,-5.8717414754,-1.085280555,0.0338969996,0.0338969996,GGA+U,P2_1/c,A2BC24D6E14F2_mP98_14_e_a_12e_3e_7e_e:C-Co-H-N-O-S,98.0,A2BC24D6E14F2_mP98_14_e_a_12e_3e_7e_e:C-Co-H-N-O-S +mp-1203105,UH4(BrO2)2,-6.2618565177,-1.9204814545,0.0,-0.0023540976,GGA,P2_1/c,A2B4C4D_mP44_14_2e_4e_4e_e:Br-H-O-U,44.0,A2B4C4D_mP44_14_2e_4e_4e_e:Br-H-O-U +mp-1198886,UP2H15C5NO13,-6.3927149992,-1.2090479362,0.3088965219,0.3088965219,GGA,P2_1/c,A5B15CD13E2F_mP148_14_5e_15e_e_13e_2e_e:C-H-N-O-P-U,148.0,A5B15CD13E2F_mP148_14_5e_15e_e_13e_2e_e:C-H-N-O-P-U +mp-27762,UBrN,-8.8714513633,-1.811140275,0.0,-0.1280245377,GGA,P4/nmm,ABC_tP6_129_c_a_c:Br-N-U,6.0,ABC_tP6_129_c_a_c:Br-N-U +mp-1203960,UH6Br2O5,-6.0395794743,-1.7904890103,0.0,-0.0068134345,GGA,P2_1/c,A2B6C5D_mP56_14_2e_6e_5e_e:Br-H-O-U,56.0,A2B6C5D_mP56_14_2e_6e_5e_e:Br-H-O-U +mp-1217208,UPBrO6,-7.832770938899999,-2.5063405929,0.0881067735,0.0881067735,GGA,I-4,AB6CD_tI72_82_g_6g_g_g:Br-O-P-U,36.0,"Invalid WP multiplicities - AB6CD_tI72_82_g_7g_g_g:Br-O-P-U, expected UPBrO7 to be UPBrO6" +mp-740732,UP3H10BrO8,-5.990296846,-1.5300744112,0.0755611537,0.0755611537,GGA,Pbcm,AB10C8D3E_oP92_57_c_5e_2d3e_de_d:Br-H-O-P-U,92.0,AB10C8D3E_oP92_57_c_5e_2d3e_de_d:Br-H-O-P-U +mp-1207983,U2Br2N,-7.20433476,-0.399260439,1.1555898823,1.1555898823,GGA,P4/mmm,A2BC2_tP5_123_g_a_g:Br-N-U,5.0,A2BC2_tP5_123_g_a_g:Br-N-U +mp-1216960,UP2C2(NO4)2,-8.4128891293,-1.9580994261,0.2704711122,0.2704711122,GGA,P-1,A2B2C8D2E_aP15_2_i_i_4i_i_a:C-N-O-P-U,15.0,"Invalid WP multiplicities - A2B2C8D2E_aP15_2_i_i_6i_i_a:C-N-O-P-U, expected UP2C2(NO6)2 to be UP2C2(NO4)2" +mp-1383162,UP2C2(NO4)2,-6.8448776933,-0.3900879901,1.8384825482,1.8384825482,GGA,P-1,A2B2C8D2E_aP15_2_i_i_4i_i_a:C-N-O-P-U,15.0,"Invalid WP multiplicities - A2B2C8D2E_aP15_2_i_i_6i_i_a:C-N-O-P-U, expected UP2C2(NO6)2 to be UP2C2(NO4)2" +mp-1200002,UP2H8C2NO8,-6.5612990918000005,-1.305519138,0.416619749,0.416619749,GGA,P2_1/c,A2B8CD8E2F_mP88_14_2e_8e_e_8e_2e_e:C-H-N-O-P-U,88.0,A2B8CD8E2F_mP88_14_2e_8e_e_8e_2e_e:C-H-N-O-P-U +mp-1100964,UPH10C4(NO4)2,-6.5951071308,-1.0646019586,0.3899492376,0.3899492376,GGA,P-1,A4B10C2D8EF_aP52_2_4i_10i_2i_8i_i_i:C-H-N-O-P-U,52.0,"Invalid WP multiplicities - A4B10C2D8EF_aP52_2_7i_19i_3i_15i_i_i:C-H-N-O-P-U, expected UPH19C7(NO5)3 to be UPH10C4(NO4)2" +mp-1103931,UBr4(NO2)2,-5.5522333009,-0.6464816623,0.7610844011,0.7610844011,GGA,P-1,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U,11.0,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U +mp-1103945,UBr4(NO2)2,-5.7852668382,-0.8795151995,0.5280508639,0.5280508639,GGA,P-1,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U,11.0,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U +mp-726167,UBr4(NO2)2,-6.0511930345,-1.1454413959,0.2621246675,0.2621246675,GGA,P-1,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U,11.0,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U +mp-1237608,UBr4(NO2)2,-6.2776404845,-1.3718888459,0.0356772175,0.0356772175,GGA,P-1,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U,11.0,A4B2C4D_aP11_2_2i_i_2i_a:Br-N-O-U +mp-1202468,UP2H36C12Br2(N3O2)2,-5.7249051103,-0.5199540054,0.1195012269,0.1195012269,GGA,P4_12_12,A2B12C36D6E4F2G_tP252_92_2a_6b_18b_3b_2b_b_a:Br-C-H-N-O-P-U,252.0,A2B12C36D6E4F2G_tP252_92_2a_6b_18b_3b_2b_b_a:Br-C-H-N-O-P-U +mp-1197893,Ga2P2N2O8F3,-5.9974867524,-1.3584436052,0.8649559624000001,0.8649559624000001,GGA,Pna2_1,A3B2C2D8E2_oP68_33_3a_2a_2a_8a_2a:F-Ga-N-O-P,68.0,A3B2C2D8E2_oP68_33_3a_2a_2a_8a_2a:F-Ga-N-O-P +mp-23984,GaH18C3(N3F2)3,-5.7996540206,-0.9812624141,0.0,-0.0002713032,GGA,Pa-3,A3B6CD18E9_cP296_205_d_2d_ab_6d_3d:C-F-Ga-H-N,296.0,A3B6CD18E9_cP296_205_d_2d_ab_6d_3d:C-F-Ga-H-N +mp-733840,GaH12N3(OF2)3,-5.1021539116,-1.2997845805,0.1942471859,0.1942471859,GGA,P-1,A6BC12D3E3_aP50_2_6i_be_12i_3i_3i:F-Ga-H-N-O,50.0,A6BC12D3E3_aP50_2_6i_be_12i_3i_3i:F-Ga-H-N-O +mp-720727,GaH15N4(OF3)2,-4.7947948532,-0.9152513666,0.4334000011,0.4334000011,GGA,C2/c,A6BC15D4E2_mC112_15_3f_c_a7f_2f_f:F-Ga-H-N-O,56.0,A6BC15D4E2_mC112_15_3f_c_a7f_2f_f:F-Ga-H-N-O +mp-1199371,GaP2H15C5(NO4)2,-6.1119045496,-1.0471948916,0.0898583454,0.0898583454,GGA,P2_1/c,A5BC15D2E8F2_mP132_14_5e_e_15e_2e_8e_2e:C-Ga-H-N-O-P,132.0,A5BC15D2E8F2_mP132_14_5e_e_15e_2e_8e_2e:C-Ga-H-N-O-P +mp-1202565,GaP2H15C5(NO4)2,-6.1121813261,-1.0474716681,0.0895815689,0.0895815689,GGA,Pnnm,A5BC15D2E8F2_oP132_58_g2h_e_5g5h_2g_4g2h_2g:C-Ga-H-N-O-P,132.0,A5BC15D2E8F2_oP132_58_g2h_e_5g5h_2g_4g2h_2g:C-Ga-H-N-O-P +mp-1202559,Ga6P8H56C14N7O32F,-6.0098685706,-1.1773689432,0.0553013444,0.0553013444,GGA,P-1,A14BC6D56E7F32G8_aP248_2_14i_i_6i_56i_7i_32i_8i:C-F-Ga-H-N-O-P,248.0,A14BC6D56E7F32G8_aP248_2_14i_i_6i_56i_7i_32i_8i:C-F-Ga-H-N-O-P +mp-1197441,GaN2OF5,-4.1043103822,-0.3037360021,1.2756121483,1.2756121483,GGA,Pbcn,A5BC2D_oP36_60_c2d_c_d_c:F-Ga-N-O,36.0,A5BC2D_oP36_60_c2d_c_d_c:F-Ga-N-O +mp-1203908,Ga3P3H6CNO13,-6.5621475285,-1.8379747314,0.1265629595,0.1265629595,GGA,Pbca,AB3C6DE13F3_oP216_61_c_3c_6c_c_13c_3c:C-Ga-H-N-O-P,216.0,AB3C6DE13F3_oP216_61_c_3c_6c_c_13c_3c:C-Ga-H-N-O-P +mp-1213331,Ga2P2H9N2O9F,-6.156269637,-1.7353896897,0.007292575,0.007292575,GGA,P2_12_12_1,AB2C9D2E9F2_oP100_19_a_2a_9a_2a_9a_2a:F-Ga-H-N-O-P,100.0,AB2C9D2E9F2_oP100_19_a_2a_9a_2a_9a_2a:F-Ga-H-N-O-P +mp-1225237,GaP2C3N2O8F,-6.8678932232,-1.003265222,0.8502089161,0.8502089161,GGA,Cmcm,A3BCD2E8F2_oC68_63_cg_c_a_g_2cgh_g:C-F-Ga-N-O-P,34.0,A3BCD2E8F2_oC68_63_cg_c_a_g_2cgh_g:C-F-Ga-N-O-P +mp-1182033,Ga2P4C6NO14,-6.823852195,-0.8730547169,1.0382409166,1.0382409166,GGA,C2/c,A6B2CD14E4_mC108_15_3f_f_e_7f_2f:C-Ga-N-O-P,54.0,A6B2CD14E4_mC108_15_3f_f_e_7f_2f:C-Ga-N-O-P +mp-1197790,GaH8N2OF5,-5.1348992598,-1.5262535079,0.0421780193,0.0421780193,GGA,Pbca,A5BC8D2E_oP136_61_5c_c_8c_2c_c:F-Ga-H-N-O,136.0,A5BC8D2E_oP136_61_5c_c_8c_2c_c:F-Ga-H-N-O +mp-721128,Ga3P3H6C2NO13,-6.5589364788,-1.6738889426,0.2204866879,0.2204866879,GGA,P2_1/c,A2B3C6DE13F3_mP112_14_2e_3e_6e_e_13e_3e:C-Ga-H-N-O-P,112.0,A2B3C6DE13F3_mP112_14_2e_3e_6e_e_13e_3e:C-Ga-H-N-O-P +mp-1203795,B11H10SI,-5.189670636,-0.2761755862,0.0,-0.0511384811,GGA,P2_1/c,A11B10CD_mP92_14_11e_10e_e_e:B-H-I-S,92.0,A11B10CD_mP92_14_11e_10e_e_e:B-H-I-S +mp-849805,B12H21C4S2I,-5.1931661144,-0.2416442082,0.036782181,0.036782181,GGA,P2_1/c,A12B4C21DE2_mP160_14_12e_4e_21e_e_2e:B-C-H-I-S,160.0,"Invalid WP multiplicities - A12B4C21DE2_mP160_14_47e_13e_83e_e_7e:B-C-H-I-S, expected B47H83C13S7I to be B12H21C4S2I" +mp-1105132,BH2S3N3F4,-5.6893640685,-1.1870875987,0.1490038696,0.1490038696,GGA,P1,AB4C2D3E3_aP13_1_a_4a_2a_3a_3a:B-F-H-N-S,13.0,AB4C2D3E3_aP13_1_a_4a_2a_3a_3a:B-F-H-N-S +mp-1214776,BH2S3N3F4,-5.7146835042,-1.2124070345,0.1236844338,0.1236844338,GGA,P-1,AB4C2D3E3_aP26_2_i_4i_2i_3i_3i:B-F-H-N-S,26.0,AB4C2D3E3_aP26_2_i_4i_2i_3i_3i:B-F-H-N-S +mp-1199984,B11H11C4SI10NF,-4.9427781366,-0.4087769775,0.0511055858,0.0511055858,GGA,P2_1/c,A11B4CD11E10FG_mP156_14_11e_4e_e_11e_10e_e_e:B-C-F-H-I-N-S,156.0,A11B4CD11E10FG_mP156_14_11e_4e_e_11e_10e_e_e:B-C-F-H-I-N-S +mp-638469,BaC2S2(OF)6,-6.2133620091,-2.1075848485,0.1717267128,0.1717267128,GGA,C2/c,AB2C6D6E2_mC68_15_e_f_3f_3f_f:Ba-C-F-O-S,34.0,"Invalid WP multiplicities - AB2C6D6E2_mC68_15_e_f_11f_8f_f:Ba-C-F-O-S, expected BaC2S2(O8F11)2 to be BaC2S2(OF)6" +mp-554761,BaH2C4S4N2(O3F4)3,-5.980345624,-1.6775272614,0.2504314212,0.2504314212,GGA,P2_1/c,AB4C12D2E2F9G4_mP136_14_e_4e_12e_2e_2e_9e_4e:Ba-C-F-H-N-O-S,136.0,"Invalid WP multiplicities - AB4C12D2E2F9G4_mP136_14_e_15e_45e_5e_4e_32e_15e:Ba-C-F-H-N-O-S, expected BaH5C15S15N4O32F45 to be BaH2C4S4N2(O3F4)3" +mp-24528,CrH8C4(S2N3)2,-6.4295841383,-0.3307021027,0.0865474785,0.0865474785,GGA,P-1,A4BC8D6E4_aP23_2_2i_a_4i_3i_2i:C-Cr-H-N-S,23.0,A4BC8D6E4_aP23_2_2i_a_4i_3i_2i:C-Cr-H-N-S +mp-1196508,CrH6C3(S2N)3,-6.0558649766,-0.3967289664,0.0548656751,0.0548656751,GGA,R-3,A3BC6D3E6_hR114_148_f_c_2f_f_2f:C-Cr-H-N-S,38.0,A3BC6D3E6_hR114_148_f_c_2f_f_2f:C-Cr-H-N-S +mp-24009,KCr3H6(SO7)2,-6.8232261015,-1.9019784355,0.0,-0.0126860327,GGA+U,R-3m,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Cr-H-K-O-S,52.0,A3B6CD14E2_hR78_166_d_h_a_c2h_c:Cr-H-K-O-S +mp-1211677,KCr(SO4)2,-6.9752537483,-2.0910990949,0.0364975475,0.0010321722,GGA+U,P321,ABC8D2_hP12_150_a_b_dg_d:Cr-K-O-S,24.0,ABC8D2_hP12_150_a_b_dg_d:Cr-K-O-S +mp-1211656,KCr(SO4)2,-7.0117512958,-2.1275966424,0.0,-0.0354653753,GGA+U,P-3c1,ABC8D2_hP24_165_b_a_dg_d:Cr-K-O-S,48.0,ABC8D2_hP24_165_b_a_dg_d:Cr-K-O-S +mp-729028,KCrH24(SO10)2,-5.630573492,-1.4764996284,0.0169400476,0.0169400476,GGA+U,Pa-3,AB24CD20E2_cP192_205_a_4d_b_c3d_c:Cr-H-K-O-S,192.0,AB24CD20E2_cP192_205_a_4d_b_c3d_c:Cr-H-K-O-S +mp-1194277,CrH12C8S2(NO)2,-6.2513273167,-0.3611661701,0.1773471187,0.1773471187,GGA+U,P-1,A8BC12D2E2F2_aP27_2_4i_a_6i_i_i_i:C-Cr-H-N-O-S,27.0,A8BC12D2E2F2_aP27_2_4i_a_6i_i_i_i:C-Cr-H-N-O-S +mp-1212822,KCr(SO10)2,-5.5554575696,-0.6400358873,0.423762434,0.423762434,GGA+U,Pa-3,ABC20D2_cP96_205_a_b_c3d_c:Cr-K-O-S,96.0,ABC20D2_cP96_205_a_b_c3d_c:Cr-K-O-S +mp-1195334,K2CrH5C4S4N4O3,-6.463191339,-0.7899746929,0.1050083683,0.1050083683,GGA+U,P-1,A4BC5D2E4F3G4_aP92_2_8i_2i_10i_4i_8i_6i_8i:C-Cr-H-K-N-O-S,92.0,A4BC5D2E4F3G4_aP92_2_8i_2i_10i_4i_8i_6i_8i:C-Cr-H-K-N-O-S +mp-561541,K2CrSO7,-6.6417454223,-2.0383712214,0.0,-0.0089248665,GGA+U,P2_1/c,AB2C7D_mP44_14_e_2e_7e_e:Cr-K-O-S,44.0,"Invalid WP multiplicities - AB2C7D_mP44_14_e_5e_28e_e:Cr-K-O-S, expected K5CrSO28 to be K2CrSO7" +mp-746688,K4MnH6(S2O9)2,-6.0520941774,-1.8234225526,0.0965680052,0.0965680052,GGA+U,Pccn,A6B4CD18E4_oP132_56_3e_2e_c_9e_2e:H-K-Mn-O-S,132.0,A6B4CD18E4_oP132_56_3e_2e_c_9e_2e:H-K-Mn-O-S +mp-1224065,K2MnH8(SO6)2,-5.993605473,-1.7472940404,0.0042616307,0.0042616307,GGA+U,P1,A8B2CD12E2_aP50_1_16a_4a_2a_24a_4a:H-K-Mn-O-S,50.0,A8B2CD12E2_aP50_1_16a_4a_2a_24a_4a:H-K-Mn-O-S +mp-542145,K2MnH8(SO6)2,-5.9964284811,-1.7501170485,0.0014386226,0.0014386226,GGA+U,P2_1/c,A8B2CD12E2_mP100_14_8e_2e_ad_12e_2e:H-K-Mn-O-S,100.0,A8B2CD12E2_mP100_14_8e_2e_ab_12e_2e:H-K-Mn-O-S +mp-727702,K2MnH8(SO6)2,-5.9949338611,-1.7486224285,0.0029332426,0.0029332426,GGA+U,C2/c,A8B2CD12E2_mC200_15_8f_2f_ce_2e11f_2f:H-K-Mn-O-S,100.0,A8B2CD12E2_mC200_15_8f_2f_ae_2e11f_2f:H-K-Mn-O-S +mp-1197395,K2Mn3H6S3O16,-6.6026776882,-1.8820253875,0.0002332177,0.0002332177,GGA+U,Cmc2_1,A6B2C3D16E3_oC120_36_2a2b_b_ab_4a6b_ab:H-K-Mn-O-S,60.0,A6B2C3D16E3_oC120_36_2a2b_b_ab_4a6b_ab:H-K-Mn-O-S +mp-850535,K2Mn3H10S4O21,-6.3968328201,-1.7953236545,0.0170503113,0.0170503113,GGA+U,P2_1/c,A10B2C3D21E4_mP160_14_10e_2e_3e_21e_4e:H-K-Mn-O-S,160.0,"Invalid WP multiplicities - A10B2C3D21E4_mP160_14_37e_5e_9e_81e_13e:H-K-Mn-O-S, expected K5Mn9H37S13O81 to be K2Mn3H10S4O21" +mp-698214,KMnH24(C7N4)2,-6.0612881692,-0.0698065939,0.2337009417,0.2337009417,GGA,I4/m,A14B24CDE8_tI96_87_ehi_3i_a_b_deh:C-H-K-Mn-N,48.0,A14B24CDE8_tI96_87_ehi_3i_a_b_deh:C-H-K-Mn-N +mp-698687,K4Mn2H16S4O23,-5.8859901627,-1.6539721439,0.080360797,0.080360797,GGA+U,P1,A16B4C2D23E4_aP49_1_16a_4a_2a_23a_4a:H-K-Mn-O-S,49.0,A16B4C2D23E4_aP49_1_16a_4a_2a_23a_4a:H-K-Mn-O-S +mp-728768,K3Mn3H2C12O13,-7.3120903075,-0.8680407935000001,0.6032016697,0.6032016697,GGA+U,P2_1/c,A12B2C3D3E13_mP132_14_12e_2e_3e_3e_13e:C-H-K-Mn-O,132.0,A12B2C3D3E13_mP132_14_12e_2e_3e_3e_13e:C-H-K-Mn-O +mp-746793,K2Mn7H18(C9O20)2,-7.0950515912,-1.3137868728,0.3001221975,0.3001221975,GGA+U,P-1,A18B18C2D7E40_aP85_2_9i_9i_i_a3i_20i:C-H-K-Mn-O,85.0,A18B18C2D7E40_aP85_2_9i_9i_i_a3i_20i:C-H-K-Mn-O +mp-1328759,K2Mn7H18(C9O20)2,-5.474129274,0.3071354444,1.9210445147,1.9210445147,GGA+U,P-1,A18B18C2D7E40_aP85_2_9i_9i_i_a3i_20i:C-H-K-Mn-O,85.0,A18B18C2D7E40_aP85_2_9i_9i_i_a3i_20i:C-H-K-Mn-O +mp-697984,K2MnH4(SO5)2,-6.2459545539,-1.8936648586,0.0061544916,0.0061544916,GGA+U,P-1,A4B2CD10E2_aP38_2_4i_2i_i_10i_2i:H-K-Mn-O-S,38.0,A4B2CD10E2_aP38_2_4i_2i_i_10i_2i:H-K-Mn-O-S +mp-1192422,KMnH3(CO2)3,-7.0415144993,-1.4831772765,0.1029123296,0.1029123296,GGA+U,C2/c,A3B3CDE6_mC56_15_ef_ef_e_c_3f:C-H-K-Mn-O,28.0,A3B3CDE6_mC56_15_ef_ef_e_c_3f:C-H-K-Mn-O +mp-725076,KMnH5(SO5)2,-5.6699379242,-1.19752575,0.5773077752,0.5773077752,GGA+U,P1,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mn-O-S,19.0,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mn-O-S +mp-1223556,KMnH5(SO5)2,-6.2417737289,-1.7693615547,0.0054719705,0.0054719705,GGA+U,P1,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mn-O-S,38.0,A5BCD10E2_aP19_1_5a_a_a_10a_2a:H-K-Mn-O-S +mp-1215048,AlH10C3N6OF5,-6.2608699088,-1.2654127604,0.0140171827,0.0140171827,GGA,P2_1/c,AB3C5D10E6F_mP104_14_e_3e_5e_10e_6e_e:Al-C-F-H-N-O,104.0,AB3C5D10E6F_mP104_14_e_3e_5e_10e_6e_e:Al-C-F-H-N-O +mp-693763,Al8P8H34N7O36F5,-6.4721991537,-2.0373280808,0.0185433503,0.0185433503,GGA,P1,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P,98.0,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P +mp-1247898,Al8P8H34N7O36F5,-6.4793163148,-2.0444452419,0.0114261892,0.0114261892,GGA,P1,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P,98.0,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P +mp-1267554,Al8P8H34N7O36F5,-6.4814925353,-2.0466214624,0.0092499687,0.0092499687,GGA,P1,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P,98.0,A8B5C34D7E36F8_aP98_1_8a_5a_34a_7a_36a_8a:Al-F-H-N-O-P +mp-1229326,Al8P8H22C14N4O33F2,-6.9908532318,-1.7433589276,0.1526492164,0.1526492164,GGA,C2/c,A8B14C2D22E4F33G8_mC364_15_4f_7f_f_11f_2f_e16f_4f:Al-C-F-H-N-O-P,182.0,A8B14C2D22E4F33G8_mC364_15_4f_7f_f_11f_2f_e16f_4f:Al-C-F-H-N-O-P +mp-1192890,Al5C2N6F17,-6.039045404,-2.0490679996,0.7130847053,0.7130847053,GGA,Cmmm,A5B2C17D6_oC60_65_ap_h_dgi2pq_hq:Al-C-F-N,30.0,A5B2C17D6_oC60_65_ap_h_dgi2pq_hq:Al-C-F-N +mp-699455,Al3P3H9C3NO14,-6.9025712026,-1.9544711185,0.0649442459,0.0649442459,GGA,Cc,A3B3C9DE14F3_mC132_9_3a_3a_9a_a_14a_3a:Al-C-H-N-O-P,66.0,"Invalid WP multiplicities - A3B3C9DE14F3_mC132_9_3a_3a_12a_a_21a_3a:Al-C-H-N-O-P, expected Al3P3H12C3NO21 to be Al3P3H9C3NO14" +mp-1204696,Al3P3H8C2NO13,-6.8265622573,-1.9692548398,0.1344957799,0.1344957799,GGA,Pbca,A3B2C8DE13F3_oP240_61_3c_2c_8c_c_13c_3c:Al-C-H-N-O-P,240.0,A3B2C8DE13F3_oP240_61_3c_2c_8c_c_13c_3c:Al-C-H-N-O-P +mp-24554,AlH18C3(N3F2)3,-5.9139007394,-1.0761177867,0.0,-0.0034635283,GGA,Pa-3,AB3C6D18E9_cP296_205_ab_d_2d_6d_3d:Al-C-F-H-N,296.0,AB3C6D18E9_cP296_205_ab_d_2d_6d_3d:Al-C-F-H-N +mp-738697,Al3P4H18C3N3O16,-6.4818554182,-1.6775680361,0.0296682529,0.0296682529,GGA,P-1,A3B3C18D3E16F4_aP94_2_3i_3i_18i_3i_16i_4i:Al-C-H-N-O-P,94.0,A3B3C18D3E16F4_aP94_2_3i_3i_18i_3i_16i_4i:Al-C-H-N-O-P +mp-709723,Al2P3H17C4(NO6)2,-6.3035486845,-1.444665727,0.056828852,0.056828852,GGA,C2/c,A2B4C17D2E12F3_mC320_15_2f_4f_17f_2f_12f_3f:Al-C-H-N-O-P,160.0,A2B4C17D2E12F3_mC320_15_2f_4f_17f_2f_12f_3f:Al-C-H-N-O-P +mp-1228596,AlH12C4NF4,-5.4334492668,-1.0082055789,0.1070813703,0.1070813703,GGA,P1,AB4C4D12E_aP22_1_a_4a_4a_12a_a:Al-C-F-H-N,22.0,AB4C4D12E_aP22_1_a_4a_4a_12a_a:Al-C-F-H-N +mp-1263648,Al3H36C12N3F4,-5.0817890169,-0.3098191606,0.3580943918,0.3580943918,GGA,Cm,A3B12C4D36E3_mC116_8_ab_2a5b_2ab_2a17b_ab:Al-C-F-H-N,58.0,"Invalid WP multiplicities - A3B12C4D36E3_mC116_8_ab_2a8b_2ab_2a30b_ab:Al-C-F-H-N, expected Al3H62C18N3F4 to be Al3H36C12N3F4" +mp-686547,Al3H36C12N3F4,-5.100383699,-0.3284138427,0.3394997097,0.3394997097,GGA,Cmm2,A3B12C4D36E3_oC116_35_ad_3def_de_3de7f_bd:Al-C-F-H-N,58.0,"Invalid WP multiplicities - A3B12C4D36E3_oC116_35_ad_4def_de_4de15f_bd:Al-C-F-H-N, expected Al3H70C14N3F4 to be Al3H36C12N3F4" +mp-572874,AlH14C4NOF4,-5.318591343,-0.9550912655,0.1805624832,0.1805624832,GGA,P-1,AB4C4D14EF_aP50_2_i_4i_4i_14i_i_i:Al-C-F-H-N-O,50.0,"Invalid WP multiplicities - AB4C4D14EF_aP50_2_i_8i_6i_28i_i_i:Al-C-F-H-N-O, expected AlH28C8NOF6 to be AlH14C4NOF4" +mp-1182914,AlH14C4NOF4,-5.1636747246,-0.8001746471000001,0.3354791016,0.3354791016,GGA,P-1,AB4C4D14EF_aP50_2_i_4i_4i_14i_i_i:Al-C-F-H-N-O,50.0,"Invalid WP multiplicities - AB4C4D14EF_aP50_2_i_8i_6i_28i_i_i:Al-C-F-H-N-O, expected AlH28C8NOF6 to be AlH14C4NOF4" +mp-772922,Al3P3H9C2NO13,-6.8204877677,-2.0104249106,0.0357199995,0.0357199995,GGA,P2_1/c,A3B2C9DE13F3_mP124_14_3e_2e_9e_e_13e_3e:Al-C-H-N-O-P,124.0,"Invalid WP multiplicities - A3B2C9DE13F3_mP124_14_11e_5e_32e_e_49e_7e:Al-C-H-N-O-P, expected Al11P7H32C5NO49 to be Al3P3H9C2NO13" +mp-709031,Al4P4H11C3NO18,-6.7955186698,-1.9414116442,0.1563090153,0.1563090153,GGA,P-1,A4B3C11DE18F4_aP82_2_4i_3i_11i_i_18i_4i:Al-C-H-N-O-P,82.0,A4B3C11DE18F4_aP82_2_4i_3i_11i_i_18i_4i:Al-C-H-N-O-P +mp-708964,Al2P2H8C2NO8F,-6.5699797358000005,-1.8308805858,0.0496568753,0.0496568753,GGA,P2_1/c,A2B2CD8EF8G2_mP96_14_2e_2e_e_8e_e_8e_2e:Al-C-F-H-N-O-P,96.0,A2B2CD8EF8G2_mP96_14_2e_2e_e_8e_e_8e_2e:Al-C-F-H-N-O-P +mp-1202100,Al3P3H7CNO13,-6.9665846475,-2.2130906837,0.0295716365,0.0295716365,GGA,Pbca,A3BC7DE13F3_oP224_61_3c_c_7c_c_13c_3c:Al-C-H-N-O-P,224.0,A3BC7DE13F3_oP224_61_3c_c_7c_c_13c_3c:Al-C-H-N-O-P +mp-1197634,AlP2H16C2N3O8,-6.0325243827,-1.2857705385,0.0312411114,0.0312411114,GGA,P2_12_12_1,AB2C16D3E8F2_oP256_19_2a_4a_32a_6a_16a_4a:Al-C-H-N-O-P,256.0,AB2C16D3E8F2_oP256_19_2a_4a_32a_6a_16a_4a:Al-C-H-N-O-P +mp-556858,Al2P3H9(CO3)3,-6.5552801084,-1.6909805521,2.56062e-05,2.56062e-05,GGA,P31c,A2B3C9D9E3_hP104_159_bc_2c_6c_6c_2c:Al-C-H-O-P,104.0,"Invalid WP multiplicities - A2B3C9D9E3_hP104_159_2b2c_5c_35c_34c_7c:Al-C-H-O-P, expected Al8P21H105(C5O34)3 to be Al2P3H9(CO3)3" +mp-559674,PH16C6S2NO4,-5.4838112154,-0.4349758259,0.2903012911,0.2903012911,GGA,P2_1/c,A6B16CD4EF2_mP120_14_6e_16e_e_4e_e_2e:C-H-N-O-P-S,120.0,"Invalid WP multiplicities - A6B16CD4EF2_mP120_14_17e_60e_e_15e_e_4e:C-H-N-O-P-S, expected PH60C17S4NO15 to be PH16C6S2NO4" +mp-559120,NiP2H24(C2O7)2,-5.6780415371,-1.1402532993,0.0874958551,0.0874958551,GGA+U,P2_1/c,A4B24CD14E2_mP90_14_2e_12e_a_7e_e:C-H-Ni-O-P,90.0,"Invalid WP multiplicities - A4B24CD14E2_mP90_14_5e_42e_a_26e_e:C-H-Ni-O-P, expected NiP2H84(C5O26)2 to be NiP2H24(C2O7)2" +mp-1197228,NiP4H18C2N2O15,-6.072833445,-1.3625223255,0.125124392,0.125124392,GGA+U,P-1,A2B18C2DE15F4_aP84_2_2i_18i_2i_ae_15i_4i:C-H-N-Ni-O-P,84.0,A2B18C2DE15F4_aP84_2_2i_18i_2i_ae_15i_4i:C-H-N-Ni-O-P +mp-1200614,PH9C2S(NO)4,-6.2799949838,-0.9621686834,0.0309461305,0.0309461305,GGA,P-1,A2B9C4D4EF_aP42_2_2i_9i_4i_4i_i_i:C-H-N-O-P-S,42.0,A2B9C4D4EF_aP42_2_2i_9i_4i_4i_i_i:C-H-N-O-P-S +mp-1210347,PH17C4S2(N2O)4,-6.0934123246,-0.683525624,0.0671660583,0.0671660583,GGA,P-1,A4B17C8D4EF2_aP72_2_4i_17i_8i_4i_i_2i:C-H-N-O-P-S,72.0,A4B17C8D4EF2_aP72_2_4i_17i_8i_4i_i_2i:C-H-N-O-P-S +mp-1196294,PH15C3SN6,-5.4946131785,-0.1813205217,0.2320131347,0.2320131347,GGA,P6_3,A3B15C6DE_hP52_173_c_5c_2c_b_b:C-H-N-P-S,52.0,A3B15C6DE_hP52_173_c_5c_2c_b_b:C-H-N-P-S +mp-561476,PH8C2SNO2,-5.5666978662,-0.6747802618000001,0.1192674844,0.1192674844,GGA,P2_1/c,A2B8CD2EF_mP60_14_2e_8e_e_2e_e_e:C-H-N-O-P-S,60.0,"Invalid WP multiplicities - A2B8CD2EF_mP60_14_7e_25e_e_5e_e_e:C-H-N-O-P-S, expected PH25C7SNO5 to be PH8C2SNO2" +mp-1202667,NiP2H26C8S4(NO)2,-5.3536239631,-0.425643751,0.0554288374,0.0554288374,GGA+U,P2_1/c,A8B26C2DE2F2G4_mP180_14_8e_26e_2e_e_2e_2e_4e:C-H-N-Ni-O-P-S,180.0,A8B26C2DE2F2G4_mP180_14_8e_26e_2e_e_2e_2e_4e:C-H-N-Ni-O-P-S +mp-1212545,Na3PH3S2N3O8,-5.9486490056,-1.3279014696,0.3594481621,0.3594481621,GGA,P2_1/c,A3B3C3D8EF2_mP80_14_3e_3e_3e_8e_e_2e:H-N-Na-O-P-S,80.0,A3B3C3D8EF2_mP80_14_3e_3e_3e_8e_e_2e:H-N-Na-O-P-S +mp-696989,NaPH5C2SN3O4,-6.4779467829,-1.1197421655,0.0793424011,0.0793424011,GGA,P-1,A2B5C3DE4FG_aP34_2_2i_5i_3i_i_4i_i_i:C-H-N-Na-O-P-S,34.0,A2B5C3DE4FG_aP34_2_2i_5i_3i_i_4i_i_i:C-H-N-Na-O-P-S +mp-1195824,VH8N2OF4,-5.594865447,-1.5016586432,0.0426174795,0.0426174795,GGA+U,Pna2_1,A4B8C2DE_oP64_33_4a_8a_2a_a_a:F-H-N-O-V,64.0,A4B8C2DE_oP64_33_4a_8a_2a_a_a:F-H-N-O-V +mp-1203102,V2CuH18(N3O5)2,-5.6428625151,-0.7017288859,0.4458066464,0.4458066464,GGA+U,P-1,AB18C6D10E2_aP37_2_a_9i_3i_5i_i:Cu-H-N-O-V,37.0,AB18C6D10E2_aP37_2_a_9i_3i_5i_i:Cu-H-N-O-V +mp-558613,VH16C6N6O7F2,-6.4150178563,-0.9621687982,0.1045488537,0.1045488537,GGA+U,P-1,A6B2C16D6E7F_aP76_2_6i_2i_16i_6i_7i_i:C-F-H-N-O-V,76.0,"Invalid WP multiplicities - A6B2C16D6E7F_aP76_2_11i_2i_32i_12i_13i_i:C-F-H-N-O-V, expected VH32C11N12O13F2 to be VH16C6N6O7F2" +mp-1195565,V2CuH14C2N2(OF2)4,-5.7169565385,-1.4753174215,0.1287531875,0.1287531875,GGA+U,P-1,A2BC8D14E2F4G2_aP33_2_i_a_4i_7i_i_2i_i:C-Cu-F-H-N-O-V,33.0,A2BC8D14E2F4G2_aP33_2_i_a_4i_7i_i_2i_i:C-Cu-F-H-N-O-V +mp-728290,VH12N3O5F2,-5.4663082707,-0.9722863195,0.3494698703,0.3494698703,GGA+U,P2_12_12_1,A2B12C3D5E_oP92_19_2a_12a_3a_5a_a:F-H-N-O-V,92.0,A2B12C3D5E_oP92_19_2a_12a_3a_5a_a:F-H-N-O-V +mp-1245539,VCuN2,-7.99642503,-0.5323993825000001,0.1386111438,0.1386111438,GGA,Pna2_1,AB2C_oP16_33_a_2a_a:Cu-N-V,16.0,AB2C_oP16_33_a_2a_a:Cu-N-V +mp-1245533,VCuN2,-7.1360441888,0.3279814587,0.998991985,0.998991985,GGA,Cmcm,AB2C_oC16_63_a_f_c:Cu-N-V,8.0,AB2C_oC16_63_a_f_c:Cu-N-V +mp-560363,VH14C4NO2F3,-5.5896127582,-0.8911710814,0.1165288203,0.1165288203,GGA+U,P-1,A4B3C14DE2F_aP50_2_4i_3i_14i_i_2i_i:C-F-H-N-O-V,50.0,"Invalid WP multiplicities - A4B3C14DE2F_aP50_2_7i_6i_27i_i_2i_i:C-F-H-N-O-V, expected VH27C7N(OF3)2 to be VH14C4NO2F3" +mp-720829,VH8C2N2O6F,-6.4469032352,-1.2995209102,0.0889141633,0.0889141633,GGA+U,P2_1/c,A2BC8D2E6F_mP80_14_2e_e_8e_2e_6e_e:C-F-H-N-O-V,80.0,A2BC8D2E6F_mP80_14_2e_e_8e_2e_6e_e:C-F-H-N-O-V +mp-559248,VH10N2(OF2)2,-5.5489880545,-1.484595967,0.0211093072,0.0211093072,GGA+U,P2_1/c,A4B10C2D2E_mP76_14_4e_10e_2e_2e_e:F-H-N-O-V,76.0,"Invalid WP multiplicities - A4B10C2D2E_mP76_14_12e_37e_4e_7e_e:F-H-N-O-V, expected VH37N4O7F12 to be VH10N2(OF2)2" +mp-1194544,VH4N(OF2)2,-5.7990909738,-1.7548744348,0.1659813441,0.1659813441,GGA+U,P2_1/c,A4B4CD2E_mP48_14_4e_4e_e_2e_e:F-H-N-O-V,48.0,A4B4CD2E_mP48_14_4e_4e_e_2e_e:F-H-N-O-V +mp-729018,V2CuH6(NO3)2,-6.549941615,-1.3160300151,0.1152868197,0.1152868197,GGA+U,Pc,AB6C2D6E2_mP34_7_a_6a_2a_6a_2a:Cu-H-N-O-V,34.0,AB6C2D6E2_mP34_7_a_6a_2a_6a_2a:Cu-H-N-O-V +mp-727978,VH8N2O5F,-5.6191555762,-0.9401187054,0.471597373,0.471597373,GGA+U,P2_1/c,AB8C2D5E_mP68_14_e_8e_2e_5e_e:F-H-N-O-V,68.0,AB8C2D5E_mP68_14_e_8e_2e_5e_e:F-H-N-O-V +mp-722353,UH12C2S2N6O13,-6.341576854,-0.9787914078,0.4035494435,0.4035494435,GGA,C2/c,A2B12C6D13E2F_mC144_15_f_6f_3f_e6f_f_e:C-H-N-O-S-U,72.0,A2B12C6D13E2F_mC144_15_f_6f_3f_e6f_f_e:C-H-N-O-S-U +mp-1200392,U6H24C8S7(NO21)2,-6.9816767188,-1.6289545405,0.2706092637,0.2706092637,GGA,C222_1,A8B24C2D42E7F6_oC356_20_4c_12c_c_21c_a3c_3c:C-H-N-O-S-U,178.0,A8B24C2D42E7F6_oC356_20_4c_12c_c_21c_a3c_3c:C-H-N-O-S-U +mp-1199632,U2H12C2S3(NO8)2,-6.7756197786,-1.6409651198,0.0977691231,0.0977691231,GGA,P1,A2B12C2D16E3F2_aP74_1_4a_24a_4a_32a_6a_4a:C-H-N-O-S-U,74.0,A2B12C2D16E3F2_aP74_1_4a_24a_4a_32a_6a_4a:C-H-N-O-S-U +mp-1204315,UH10C4S(NO3)3,-6.8699389891,-1.3056723651,0.0688241575,0.0688241575,GGA,P-1,A4B10C3D9EF_aP56_2_4i_10i_3i_9i_i_i:C-H-N-O-S-U,56.0,A4B10C3D9EF_aP56_2_4i_10i_3i_9i_i_i:C-H-N-O-S-U +mp-698296,UH12C4SN2O9,-6.3658797384,-1.046968613,0.3025358849,0.3025358849,GGA,C2/m,A4B12C2D9EF_mC116_12_2ij_2i5j_2i_5i2j_i_i:C-H-N-O-S-U,58.0,A4B12C2D9EF_mC116_12_2ij_2i5j_2i_5i2j_i_i:C-H-N-O-S-U +mp-1209450,UH12W3C2S2(N3O5)2,-6.5921664231,-0.5617608502,0.7761227153,0.7761227153,GGA+U,C2/c,A2B12C6D10E2FG3_mC144_15_f_6f_3f_5f_f_e_ef:C-H-N-O-S-U-W,72.0,A2B12C6D10E2FG3_mC144_15_f_6f_3f_5f_f_e_ef:C-H-N-O-S-U-W +mp-643033,KPH2SO3,-5.8712635675,-1.8355548745,0.0,-0.011336063,GGA,Cm,A2BC3DE_mC16_8_b_a_ab_a_a:H-K-O-P-S,8.0,A2BC3DE_mC16_8_b_a_ab_a_a:H-K-O-P-S +mp-722316,KPH5C2SN3O4,-6.494032235,-1.1483056379,0.0589245324,0.0589245324,GGA,P-1,A2B5CD3E4FG_aP34_2_2i_5i_i_3i_4i_i_i:C-H-K-N-O-P-S,34.0,A2B5CD3E4FG_aP34_2_2i_5i_i_3i_4i_i_i:C-H-K-N-O-P-S +mp-707368,KP2H8SN7O2,-6.0416396711,-0.7338251909,0.0976347443,0.0976347443,GGA,Pbca,A8BC7D2E2F_oP168_61_8c_c_7c_2c_2c_c:H-K-N-O-P-S,168.0,A8BC7D2E2F_oP168_61_8c_c_7c_2c_2c_c:H-K-N-O-P-S +mp-1224943,K2PH3SO8,-6.1861305803,-2.0846480408,0.0007150286,0.0007150286,GGA,P-1,A3B2C8DE_aP60_2_bcdh4i_4i_16i_2i_2i:H-K-O-P-S,60.0,"Invalid WP multiplicities - A3B2C8DE_aP60_2_bcdh8i_8i_32i_2i_2i:H-K-O-P-S, expected K4PH5SO16 to be K2PH3SO8" +mp-1199891,K2PH4S3O2,-4.8457766544,-1.2201323541,0.0194306226,0.0194306226,GGA,P2_1/c,A4B2C2DE3_mP48_14_4e_2e_2e_e_3e:H-K-O-P-S,48.0,A4B2C2DE3_mP48_14_4e_2e_2e_e_3e:H-K-O-P-S +mp-541083,KPH5C2S2(NO)3,-6.2795153782,-0.9814498896,0.0767256054,0.0767256054,GGA,P-1,A2B5CD3E3FG2_aP34_2_2i_5i_i_3i_3i_i_2i:C-H-K-N-O-P-S,34.0,A2B5CD3E3FG2_aP34_2_2i_5i_i_3i_3i_i_2i:C-H-K-N-O-P-S +mp-677192,K4PH5S3O16,-6.1083022314,-2.0264092141,0.0,-0.0090470948,GGA,P1,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-K-O-P-S,29.0,A5B4C16DE3_aP29_1_5a_4a_16a_a_3a:H-K-O-P-S +mp-1202391,KPH6C2(NO)4,-6.6077658561,-1.1372034531,0.0237580312,0.0237580312,GGA,Fdd2,A2B6CD4E4F_oF144_43_b_3b_a_2b_2b_a:C-H-K-N-O-P,36.0,A2B6CD4E4F_oF144_43_b_3b_a_2b_2b_a:C-H-K-N-O-P +mp-1198363,K2UH4C4SNO10,-7.2197048721,-1.7441567869,0.0849375315,0.0849375315,GGA,P2_1/c,A4B4C2DE10FG_mP92_14_4e_4e_2e_e_10e_e_e:C-H-K-N-O-S-U,92.0,A4B4C2DE10FG_mP92_14_4e_4e_2e_e_10e_e_e:C-H-K-N-O-S-U +mp-1197429,K2UH4C5(NO6)2,-7.3428763327,-1.6021188738,0.2197499903,0.2197499903,GGA,P2_1/c,A5B4C2D2E12F_mP104_14_5e_4e_2e_2e_12e_e:C-H-K-N-O-U,104.0,A5B4C2D2E12F_mP104_14_5e_4e_2e_2e_12e_e:C-H-K-N-O-U +mp-766416,K2UH6C2SO13,-6.8006492582,-1.9698773273,0.0372628153,0.0372628153,GGA,P-1,A2B6C2D13EF_aP50_2_2i_6i_2i_13i_i_i:C-H-K-O-S-U,50.0,"Invalid WP multiplicities - A2B6C2D13EF_aP50_2_3i_11i_3i_25i_i_i:C-H-K-O-S-U, expected K3UH11C3SO25 to be K2UH6C2SO13" +mp-605461,K3UH6C5SNO13,-6.9866548718,-1.7232485844,0.0788596877,0.0788596877,GGA,P2_1/c,A5B6C3DE13FG_mP120_14_5e_6e_3e_e_13e_e_e:C-H-K-N-O-S-U,120.0,"Invalid WP multiplicities - A5B6C3DE13FG_mP120_14_17e_21e_9e_e_50e_e_e:C-H-K-N-O-S-U, expected K9UH21C17SNO50 to be K3UH6C5SNO13" +mp-1196741,KUH3SO8,-6.9741769405,-2.2391807513,0.048780138,0.048780138,GGA,P2_1/c,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U,56.0,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U +mp-1204032,KUH3SO8,-7.0133248596,-2.2783286704,0.0096322189,0.0096322189,GGA,P2_1/c,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U,56.0,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U +mp-1238290,KUH3SO8,-6.9947962191,-2.2598000299,0.0281608594,0.0281608594,GGA,P2_1/c,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U,56.0,A3BC8DE_mP56_14_3e_e_8e_e_e:H-K-O-S-U +mp-1205215,KUHSO7,-7.5182117582,-2.5584112266,0.0038878997,0.0038878997,GGA,Pbca,ABC7DE_oP88_61_c_c_7c_c_c:H-K-O-S-U,88.0,ABC7DE_oP88_61_c_c_7c_c_c:H-K-O-S-U +mp-1196925,FeH12N3(OF2)3,-5.2983408438,-1.2782945053,0.1778907781,0.1778907781,GGA+U,R3c,A6BC12D3E3_hR150_161_2b_a_4b_b_b:F-Fe-H-N-O,50.0,A6BC12D3E3_hR150_161_2b_a_4b_b_b:F-Fe-H-N-O +mp-684942,FePH5NO4F,-5.6809317677,-0.9977254078,0.6577860259,0.6577860259,GGA+U,P1,ABC5DE4F_aP26_1_2a_2a_10a_2a_8a_2a:F-Fe-H-N-O-P,26.0,"Invalid WP multiplicities - ABC5DE4F_mP26_7_a_a_10a_a_8a_a:F-Fe-H-N-O-P, expected FePH10NO8F to be FePH5NO4F" +mp-1225015,FePH5NO4F,-6.2700927562,-1.5868863962000002,0.0686250374,0.0686250374,GGA+U,Pc,ABC5DE4F_mP26_7_a_a_5a_a_4a_a:F-Fe-H-N-O-P,26.0,"Invalid WP multiplicities - ABC5DE4F_mP26_7_a_a_6a_a_5a_a:F-Fe-H-N-O-P, expected FePH6NO5F to be FePH5NO4F" +mp-1225303,KFe8P8H16N7(O4F)8,-6.7231033719,-1.7430791172,0.1969760841,0.1969760841,GGA+U,P1,A8B8C16DE7F32G8_aP80_1_8a_8a_16a_a_7a_32a_8a:F-Fe-H-K-N-O-P,80.0,A8B8C16DE7F32G8_aP80_1_8a_8a_16a_a_7a_32a_8a:F-Fe-H-K-N-O-P +mp-744554,K2FeP2H3(O4F)2,-5.7725887297,-1.6008070699,0.7417759142,0.7310853247,GGA+U,P1,A2BC3D2E8F2_aP36_1_4a_2a_6a_4a_16a_4a:F-Fe-H-K-O-P,36.0,A2BC3D2E8F2_aP36_1_4a_2a_6a_4a_16a_4a:F-Fe-H-K-O-P +mp-720424,K2FeP2H3(O4F)2,-5.6547772417,-1.4829955818,0.8595874022000001,0.8488968128000001,GGA+U,P1,A2BC3D2E8F2_aP36_1_4a_2a_6a_4a_16a_4a:F-Fe-H-K-O-P,36.0,A2BC3D2E8F2_aP36_1_4a_2a_6a_4a_16a_4a:F-Fe-H-K-O-P +mp-1224019,K2FeP2H3(O4F)2,-6.5143646439000005,-2.342582984,0.0,-0.0106905894,GGA+U,P2_1,A2BC3D2E8F2_mP36_4_2a_a_3a_2a_8a_2a:F-Fe-H-K-O-P,36.0,A2BC3D2E8F2_mP36_4_2a_a_3a_2a_8a_2a:F-Fe-H-K-O-P +mp-24619,FeH10N2OF5,-5.3176598501,-1.4453253734,0.0,-0.0028747881,GGA+U,Pbcn,A5BC10D2E_oP76_60_c2d_c_5d_d_c:F-Fe-H-N-O,76.0,"Invalid WP multiplicities - A5BC10D2E_oP76_60_c5d_c_8d_d_c:F-Fe-H-N-O, expected FeH16N2OF11 to be FeH10N2OF5" +mp-541423,FePH4NO4F,-6.3442381664,-1.5534917802,0.1722210069,0.1722210069,GGA+U,Pna2_1,ABC4DE4F_oP96_33_2a_2a_8a_2a_8a_2a:F-Fe-H-N-O-P,96.0,ABC4DE4F_oP96_33_2a_2a_8a_2a_8a_2a:F-Fe-H-N-O-P +mp-696335,K2FeH2OF5,-5.3818454998,-2.4745405232,0.0,-0.0080447166,GGA+U,C2/c,A5BC2D2E_mC44_15_e2f_e_f_f_e:F-Fe-H-K-O,44.0,A5BC2D2E_mC44_15_e2f_e_f_f_e:F-Fe-H-K-O +mp-23839,K2VH2OF5,-5.6426893236,-2.6795766325,0.0,-0.0345152499,GGA+U,C2/c,A5B2C2DE_mC44_15_e2f_f_f_e_e:F-H-K-O-V,22.0,A5B2C2DE_mC44_15_e2f_f_f_e_e:F-H-K-O-V +mp-705009,K3VC5N5O,-7.483456906,-0.4709506587,0.2735656218,0.2735656218,GGA+U,Pna2_1,A5B3C5DE_oP60_33_5a_3a_5a_a_a:C-K-N-O-V,60.0,"Invalid WP multiplicities - A5B3C5DE_oP60_33_15a_9a_16a_a_a:C-K-N-O-V, expected K9VC15N16O to be K3VC5N5O" +mp-1080848,KVN2,-7.6451640409,-0.9283403242,0.0,-0.1180497798,GGA,Pbca,AB2C_oP64_61_2c_4c_2c:K-N-V,64.0,AB2C_oP64_61_2c_4c_2c:K-N-V +mp-1245353,K7VN4,-4.2472478064,-0.0636912731,0.3386088471,0.3386088471,GGA,Pa-3,A7B4C_cP96_205_c2d_cd_c:K-N-V,96.0,A7B4C_cP96_205_c2d_cd_c:K-N-V +mp-698252,KV2H2C8N2(OF)5,-6.5064347648,-0.4721621504,1.154335518,1.154335518,GGA+U,Pnma,A8B5C2DE2F5G2_oP100_62_4d_3cd_2c_c_d_c2d_d:C-F-H-K-N-O-V,100.0,A8B5C2DE2F5G2_oP100_62_4d_3cd_2c_c_d_c2d_d:C-F-H-K-N-O-V +mp-707264,NaCa3UH16C3SO25F,-6.4312369235,-1.9152468303,0.0382627981,0.0382627981,GGA,P-1,A3B3CD16EF25GH_aP102_2_3i_3i_i_16i_i_25i_i_i:C-Ca-F-H-Na-O-S-U,102.0,A3B3CD16EF25GH_aP102_2_3i_3i_i_16i_i_25i_i_i:C-Ca-F-H-Na-O-S-U +mp-1220825,Na6Ca3U2O12,-7.1126859522,-2.9433365628,0.0282782303,0.0282782303,GGA,C2,A3B6C12D2_mC46_5_2ab_3a3b_6c_ab:Ca-Na-O-U,23.0,"Invalid WP multiplicities - A3B6C12D2_mC46_5_2ab_3a3b_8c_ab:Ca-Na-O-U, expected Na6Ca3U2O16 to be Na6Ca3U2O12" +mp-601228,NaH2CSO4F3,-5.1514663194,-1.2352759452,0.72477925,0.72477925,GGA,P2_1/c,AB3C2DE4F_mP48_14_e_3e_2e_e_4e_e:C-F-H-Na-O-S,48.0,"Invalid WP multiplicities - AB3C2DE4F_mP48_14_e_10e_7e_e_14e_e:C-F-H-Na-O-S, expected NaH7CS(O7F5)2 to be NaH2CSO4F3" +mp-601202,NaH2CSO4F3,-5.706806029,-1.7906156548,0.1694395404,0.1694395404,GGA,Pnma,AB3C2DE4F_oP48_62_c_cd_d_c_2cd_c:C-F-H-Na-O-S,48.0,AB3C2DE4F_oP48_62_c_cd_d_c_2cd_c:C-F-H-Na-O-S +mp-1227460,CaC2S2(OF)2,-5.4767418378,-0.7598345093000001,1.3352033909,1.3352033909,GGA,P-1,A2BC2D2E2_aP9_2_i_a_i_i_i:C-Ca-F-O-S,9.0,A2BC2D2E2_aP9_2_i_a_i_i_i:C-Ca-F-O-S +mp-709432,NaH3C4S4(OF)12,-5.8485892399,-1.7580565451,0.1732929997,0.1732929997,GGA,I2_13,A4B12C3DE12F4_cI288_199_ac_4c_c_a_4c_ac:C-F-H-Na-O-S,144.0,A4B12C3DE12F4_cI288_199_ac_4c_c_a_4c_ac:C-F-H-Na-O-S +mp-39536,CaC2S2(OF)6,-6.2248753959,-2.1140026505,0.1759495543,0.1759495543,GGA,R-3,A2BC6D6E2_hR51_148_c_a_f_f_c:C-Ca-F-O-S,17.0,A2BC6D6E2_hR51_148_c_a_f_f_c:C-Ca-F-O-S +mp-1213952,CaU2S5,-7.4389026322,-1.7800689779,0.0989429791,0.0989429791,GGA,Pnma,AB5C2_oP32_62_c_3cd_d:Ca-S-U,32.0,AB5C2_oP32_62_c_3cd_d:Ca-S-U +mp-33320,CaUS2,-6.8158056006,-1.4233281947,0.5885956444,0.5885956444,GGA,I-42d,AB2C_tI32_122_d_e_d:Ca-S-U,16.0,AB2C_tI32_122_d_e_d:Ca-S-U +mp-720703,NaUHOF5,-6.3928216797,-3.0027389134,0.3331547359,0.3331547359,GGA,Pbcn,A5BCDE_oP72_60_5d_d_d_2c_d:F-H-Na-O-U,72.0,A5BCDE_oP72_60_5d_d_d_2c_d:F-H-Na-O-U +mp-24056,FeH18C3(N3F2)3,-5.9110154502,-0.9455447846,0.014148165,0.014148165,GGA+U,Pa-3,A3B6CD18E9_cP296_205_d_2d_ab_6d_3d:C-F-Fe-H-N,296.0,A3B6CD18E9_cP296_205_d_2d_ab_6d_3d:C-F-Fe-H-N +mp-1225274,FePHC4(OF)3,-6.6710017137,-0.9198313469,0.7573731979,0.7573731979,GGA+U,P-1,A4B3CDE3F_aP52_2_8i_6i_2i_2i_6i_2i:C-F-Fe-H-O-P,52.0,A4B3CDE3F_aP52_2_8i_6i_2i_2i_6i_2i:C-F-Fe-H-O-P +mp-560849,FeH14C4NOF4,-5.406743254,-0.8542653614,0.1095875438,0.1095875438,GGA+U,P-1,A4B4CD14EF_aP50_2_4i_4i_i_14i_i_i:C-F-Fe-H-N-O,50.0,"Invalid WP multiplicities - A4B4CD14EF_aP50_2_8i_8i_i_27i_i_i:C-F-Fe-H-N-O, expected FeH27C8NOF8 to be FeH14C4NOF4" +mp-559629,FeH12C2N2F5,-5.3404501406,-1.0736115305,0.0781408925,0.0781408925,GGA+U,Pnma,A2B5CD12E2_oP88_62_2c_c2d_a_4c4d_2c:C-F-Fe-H-N,88.0,"Invalid WP multiplicities - A2B5CD12E2_oP88_62_6c_4c10d_a_14c28d_5c:C-F-Fe-H-N, expected FeH70C6N5F24 to be FeH12C2N2F5" +mp-1201707,Fe3P3H12C2N2O13F2,-6.3419041095,-1.3250685498,0.3347845815,0.3347845815,GGA+U,P2_1/c,A2B2C3D12E2F13G3_mP148_14_2e_2e_3e_12e_2e_13e_3e:C-F-Fe-H-N-O-P,148.0,A2B2C3D12E2F13G3_mP148_14_2e_2e_3e_12e_2e_13e_3e:C-F-Fe-H-N-O-P +mp-5669,Ca19Ag8N7,-4.1233921144,-0.619794755,0.0396437074,0.0396437074,GGA,Fm-3m,A8B19C7_cF136_225_f_aeh_be:Ag-Ca-N,34.0,"Invalid WP multiplicities - A8B19C7_cF136_225_f_ae2h_be:Ag-Ca-N, expected Ca31Ag8N7 to be Ca19Ag8N7" +mp-542496,Ca6Ag16N,-3.1859821787,-0.3298521675,0.0,-0.0222560207,GGA,Im-3m,A16B6C_cI46_229_ch_e_a:Ag-Ca-N,23.0,A16B6C_cI46_229_ch_e_a:Ag-Ca-N +mp-1203517,CsH6C2S2NO4,-5.6085242766,-0.8519468309,0.2795702029,0.2795702029,GGA,P2_1/c,A2BC6DE4F2_mP64_14_2e_e_6e_e_4e_2e:C-Cs-H-N-O-S,64.0,A2BC6DE4F2_mP64_14_2e_e_6e_e_4e_2e:C-Cs-H-N-O-S +mp-1193261,CsHC(NO)2,-6.3292469439,-0.6030810608,0.6000412189000001,0.6000412189000001,GGA,P2_1/c,ABCD2E2_mP28_14_e_e_e_2e_2e:C-Cs-H-N-O,28.0,ABCD2E2_mP28_14_e_e_e_2e_2e:C-Cs-H-N-O +mp-757826,CsCa(NO2)3,-6.6511442118,-1.4156333669,0.0884069617,0.0884069617,GGA,R3,ABC3D6_hR33_146_a_a_b_2b:Ca-Cs-N-O,11.0,"Invalid WP multiplicities - ABC3D6_hR33_146_a_a_b_4b:Ca-Cs-N-O, expected CsCa(NO4)3 to be CsCa(NO2)3" +mp-1199489,CsAgH12C4S4(NO4)2,-5.5660118117,-0.7488983151,0.3142796952,0.3142796952,GGA,C2/c,AB4CD12E2F8G4_mC128_15_a_2f_e_6f_f_4f_2f:Ag-C-Cs-H-N-O-S,64.0,AB4CD12E2F8G4_mC128_15_a_2f_e_6f_f_4f_2f:Ag-C-Cs-H-N-O-S +mp-1246949,CaAgN,-4.6691552367,-0.2776049672,0.2969359734,0.2969359734,GGA,P-6m2,ABC_hP3_187_b_c_a:Ag-Ca-N,3.0,ABC_hP3_187_b_c_a:Ag-Ca-N +mp-1214326,CaH8C6S2(NO4)2,-6.6350871646,-1.1151315917,0.127301785,0.127301785,GGA,P-1,A6BC8D2E8F2_aP54_2_6i_i_8i_2i_8i_2i:C-Ca-H-N-O-S,54.0,A6BC8D2E8F2_aP54_2_6i_i_8i_2i_8i_2i:C-Ca-H-N-O-S +mp-1193607,CsCaH2N9O,-7.0321207861,-0.6277209733,0.0446337663,0.0446337663,GGA,P-1,ABC2D9E_aP28_2_i_i_2i_9i_i:Ca-Cs-H-N-O,28.0,ABC2D9E_aP28_2_i_i_2i_9i_i:Ca-Cs-H-N-O +mp-558217,CsAg(NO3)2,-6.07152504,-1.0634169907,0.0,-0.0123923778,GGA,C2/m,ABC2D6_mC40_12_i_i_2i_4ij:Ag-Cs-N-O,20.0,"Invalid WP multiplicities - ABC2D6_mC40_12_i_i_2i_7i3j:Ag-Cs-N-O, expected CsAgN2O13 to be CsAg(NO3)2" +mp-1245411,Ca5(AgN2)2,-5.1514118518,-0.6933126603,0.0443435225,0.0443435225,GGA,P4/ncc,A2B5C4_tP44_130_f_cg_g:Ag-Ca-N,44.0,A2B5C4_tP44_130_f_cg_g:Ag-Ca-N +mp-1201374,Cs2CaAg2H4C6S6(N3O)2,-6.2591509945,-0.6337903069,0.1125993531,0.1125993531,GGA,P2_1/c,A2B6CD2E4F6G2H6_mP58_14_e_3e_a_e_2e_3e_e_3e:Ag-C-Ca-Cs-H-N-O-S,58.0,A2B6CD2E4F6G2H6_mP58_14_e_3e_a_e_2e_3e_e_3e:Ag-C-Ca-Cs-H-N-O-S +mp-1213739,Cs2Ca2(SO4)3,-6.6199787829,-2.5372620124000003,0.0,-0.0174913211,GGA,P2_13,A2B2C12D3_cP76_198_2a_2a_4b_b:Ca-Cs-O-S,76.0,A2B2C12D3_cP76_198_2a_2a_4b_b:Ca-Cs-O-S +mp-24272,CaH20C4S4(NO6)2,-5.6180368393,-0.9819011044,0.223714878,0.223714878,GGA,P-1,A4BC20D2E12F4_aP43_2_2i_a_10i_i_6i_2i:C-Ca-H-N-O-S,43.0,"Invalid WP multiplicities - A4BC20D2E12F4_aP43_2_3i_a_15i_i_9i_2i:C-Ca-H-N-O-S, expected CaH30C6S4(NO9)2 to be CaH20C4S4(NO6)2" +mp-1247417,Cs2Ca5N4,-4.5932231791,-0.4873337387,0.2535712615,0.2535712615,GGA,P4/ncc,A5B2C4_tP44_130_cg_f_g:Ca-Cs-N,44.0,A5B2C4_tP44_130_cg_f_g:Ca-Cs-N +mp-1194650,CsH3CN2O,-6.06888025,-0.8286396799,0.0037466306,0.0037466306,GGA,P2_12_12_1,ABC3D2E_oP32_19_a_a_3a_2a_a:C-Cs-H-N-O,32.0,ABC3D2E_oP32_19_a_a_3a_2a_a:C-Cs-H-N-O +mp-735553,V3P2H12C3N2O15,-6.6417086274,-1.3079153095,0.3600327647,0.3600327647,GGA+U,Pnma,A3B12C2D15E2F3_oP148_62_cd_2c5d_d_c7d_d_cd:C-H-N-O-P-V,148.0,A3B12C2D15E2F3_oP148_62_cd_2c5d_d_c7d_d_cd:C-H-N-O-P-V +mp-698293,VPH6C2N3O7,-6.9960543128,-1.3486942335,0.1028419099,0.1028419099,GGA+U,P-1,A2B6C3D7EF_aP40_2_2i_6i_3i_7i_i_i:C-H-N-O-P-V,40.0,A2B6C3D7EF_aP40_2_2i_6i_3i_7i_i_i:C-H-N-O-P-V +mp-1100919,VP2H13CN3O11,-6.3936157841,-1.4688520499,0.0493937922,0.0493937922,GGA+U,C2/c,AB13C3D11E2F_mC248_15_f_13f_3f_11f_2f_f:C-H-N-O-P-V,124.0,"Invalid WP multiplicities - AB13C3D11E2F_mC248_15_f_47f_11f_41f_7f_f:C-H-N-O-P-V, expected VP7H47CN11O41 to be VP2H13CN3O11" +mp-728749,V2PH10C2N2O8F,-6.5347822474,-1.376178994,0.1532206027,0.1532206027,GGA+U,P2_12_12_1,A2BC10D2E8FG2_oP104_19_2a_a_10a_2a_8a_a_2a:C-F-H-N-O-P-V,104.0,A2BC10D2E8FG2_oP104_19_2a_a_10a_2a_8a_a_2a:C-F-H-N-O-P-V +mp-1193348,PPtN5ClO6,-5.5244074718,0.5252767696,1.5428313880000002,1.5428313880000002,GGA,P2_1/m,AB5C6DE_mP28_11_e_e2f_2e2f_e_e:Cl-N-O-P-Pt,28.0,AB5C6DE_mP28_11_e_e2f_2e2f_e_e:Cl-N-O-P-Pt +mp-558532,K2PtN3(ClO2)3,-5.7636601363,-1.1951829206,0.0,-0.0057177055,GGA,P2_1/m,A3B2C3D6E_mP30_11_ef_2e_ef_2e2f_e:Cl-K-N-O-Pt,30.0,"Invalid WP multiplicities - A3B2C3D6E_mP30_11_2e3f_4e_2e2f_3e7f_e:Cl-K-N-O-Pt, expected K4PtN6Cl8O17 to be K2PtN3(ClO2)3" +mp-1203899,K2P4H6PtO11,-6.2973201935,-1.9341921379,0.0538248439,0.0538248439,GGA,P4/mbm,A6B2C11D4E_tP96_127_kl_gh_gi2l_l_e:H-K-O-P-Pt,96.0,A6B2C11D4E_tP96_127_kl_gh_gi2l_l_e:H-K-O-P-Pt +mp-1193616,K2PtC4(N2Cl)2,-6.7646020869,-0.4377062251,0.25713508,0.25713508,GGA,P2_1/c,A4B2C2D4E_mP26_14_2e_e_e_2e_a:C-Cl-K-N-Pt,26.0,A4B2C2D4E_mP26_14_2e_e_e_2e_a:C-Cl-K-N-Pt +mp-1195234,KP2H4PtO9,-6.4172611803,-1.9408353061,0.0,-0.0094575873,GGA,P-1,A4BC9D2E_aP68_2_8i_2i_18i_4i_2i:H-K-O-P-Pt,68.0,A4BC9D2E_aP68_2_8i_2i_18i_4i_2i:H-K-O-P-Pt +mp-669540,K2PtN4(ClO4)2,-6.0666391868,-1.0720218971,0.0463141567,0.0463141567,GGA,P2_1/c,A2B2C4D8E_mP34_14_e_e_2e_4e_a:Cl-K-N-O-Pt,34.0,"Invalid WP multiplicities - A2B2C4D8E_mP34_14_e_e_4e_14e_a:Cl-K-N-O-Pt, expected K2PtN8(ClO14)2 to be K2PtN4(ClO4)2" +mp-618423,PtC2(ClO)2,-6.4407585096,-0.9951992171,0.0983958574,0.0983958574,GGA,P2_1/c,A2B2C2D_mP28_14_2e_2e_2e_e:C-Cl-O-Pt,28.0,"Invalid WP multiplicities - A2B2C2D_mP28_14_6e_7e_3e_e:C-Cl-O-Pt, expected PtC6Cl7O3 to be PtC2(ClO)2" +mp-1103104,KPtNCl3,-4.1506749158,-0.6400687205000001,0.5686233900000001,0.5686233900000001,GGA,Cmcm,A3BCD_oC24_63_cf_a_c_c:Cl-K-N-Pt,12.0,A3BCD_oC24_63_cf_a_c_c:Cl-K-N-Pt +mp-1200075,H13PtC3N3Cl2O,-5.3669419739,-0.5184282701,0.1217407768,0.1217407768,GGA,P-1,A3B2C13D3EF_aP46_2_3i_2i_13i_3i_i_i:C-Cl-H-N-O-Pt,46.0,A3B2C13D3EF_aP46_2_3i_2i_13i_3i_i_i:C-Cl-H-N-O-Pt +mp-1201468,KPH12PtC2N2(ClO2)2,-5.426209271,-0.9493414185,0.1480932287,0.1480932287,GGA,P-1,A2B2C12DE2F4GH_aP50_2_2i_2i_12i_i_2i_4i_i_i:C-Cl-H-K-N-O-P-Pt,50.0,A2B2C12DE2F4GH_aP50_2_2i_2i_12i_i_2i_4i_i_i:C-Cl-H-K-N-O-P-Pt +mp-1191429,K2PtC2Cl2O5,-5.9225567067,-1.3242417837,0.434353436,0.434353436,GGA,P-1,A2B2C2D5E_aP24_2_2i_2i_2i_5i_i:C-Cl-K-O-Pt,24.0,A2B2C2D5E_aP24_2_2i_2i_2i_5i_i:C-Cl-K-O-Pt +mp-1197502,CuH36S8I2(N3O4)3,-5.190736881,-0.8280251929,0.0693341244,0.0693341244,GGA,I-42d,AB36C2D9E12F8_tI272_122_a_9e_d_bcde_3e_2e:Cu-H-I-N-O-S,136.0,AB36C2D9E12F8_tI272_122_a_9e_d_bcde_3e_2e:Cu-H-I-N-O-S +mp-1204081,Cu3MoH24C8S3I3N2O,-5.1382360107,-0.3194105362,0.1372944034,0.1372944034,GGA+U,P2_1/c,A8B3C24D3EF2GH3_mP180_14_8e_3e_24e_3e_e_2e_e_3e:C-Cu-H-I-Mo-N-O-S,180.0,A8B3C24D3EF2GH3_mP180_14_8e_3e_24e_3e_e_2e_e_3e:C-Cu-H-I-Mo-N-O-S +mp-1226426,Cu12Mo3S5O36,-6.4437004107,-1.4349419588,0.0225178918,0.0225178918,GGA+U,Pm,A12B3C36D5_mP56_6_4a4b2c_2ab_10a10b8c_2a3b:Cu-Mo-O-S,56.0,"Invalid WP multiplicities - A12B3C36D5_mP56_6_4a4b4c_2ab_10a10b16c_2a3b:Cu-Mo-O-S, expected Cu16Mo3S5O52 to be Cu12Mo3S5O36" +mp-1213388,Cu3MoSO9,-6.5766481529,-1.4480825537,0.0188109826,0.0188109826,GGA+U,Pnma,A3BC9D_oP56_62_a2c_c_5c2d_c:Cu-Mo-O-S,56.0,A3BC9D_oP56_62_a2c_c_5c2d_c:Cu-Mo-O-S +mp-1196314,CuH24C9S3IN6,-5.5432657378,-0.259531495,0.1002187646,0.1002187646,GGA,P-1,A9BC24DE6F3_aP88_2_9i_i_24i_i_6i_3i:C-Cu-H-I-N-S,88.0,A9BC24DE6F3_aP88_2_9i_i_24i_i_6i_3i:C-Cu-H-I-N-S +mp-1210554,MoSI,-6.4023434642,-0.9171880219,0.0220310756,0.0220310756,GGA,F-43m,ABC_cF48_216_e_e_e:I-Mo-S,12.0,ABC_cF48_216_e_e_e:I-Mo-S +mp-1205799,Mo(SI)2,-5.034047859,-0.6209913502000001,0.099941949,0.099941949,GGA,C2/m,A2BC2_mC20_12_j_g_2i:I-Mo-S,10.0,A2BC2_mC20_12_j_g_2i:I-Mo-S +mp-1199530,CuH12C3S3IN6,-5.6451870552,-0.399048548,0.0221068488,0.0221068488,GGA,P4_32_12,A3BC12DE6F3_tP208_96_3b_b_12b_b_6b_3b:C-Cu-H-I-N-S,208.0,A3BC12DE6F3_tP208_96_3b_b_12b_b_6b_3b:C-Cu-H-I-N-S +mp-656345,B2H10C2NClO3,-3.2430434937,1.5342445429,2.6120487209,2.6120487209,GGA,P-1,A2B2CD10EF3_aP38_2_2i_2i_i_10i_i_3i:B-C-Cl-H-N-O,38.0,"Invalid WP multiplicities - A2B2CD10EF3_aP38_2_4i_3i_i_19i_i_4i:B-C-Cl-H-N-O, expected B4H19C3NClO4 to be B2H10C2NClO3" +mp-554977,B2H10C2NClO3,-5.6969697876000005,-0.919681751,0.158122427,0.158122427,GGA,P-1,A2B2CD10EF3_aP38_2_2i_2i_i_10i_i_3i:B-C-Cl-H-N-O,38.0,"Invalid WP multiplicities - A2B2CD10EF3_aP38_2_3i_3i_i_18i_i_5i:B-C-Cl-H-N-O, expected B3H18C3NClO5 to be B2H10C2NClO3" +mp-554598,B2H10C2NClO3,-5.6989188945,-0.9216308579,0.1561733202,0.1561733202,GGA,P-1,A2B2CD10EF3_aP38_2_2i_2i_i_10i_i_3i:B-C-Cl-H-N-O,38.0,"Invalid WP multiplicities - A2B2CD10EF3_aP38_2_4i_3i_i_19i_i_4i:B-C-Cl-H-N-O, expected B4H19C3NClO4 to be B2H10C2NClO3" +mp-1194697,AgB5H6N2Cl5,-5.0698568028,-0.7276702619000001,0.1553537999,0.1553537999,GGA,Pbcn,AB5C5D6E2_oP152_60_d_5d_5d_6d_2d:Ag-B-Cl-H-N,152.0,AB5C5D6E2_oP152_60_d_5d_5d_6d_2d:Ag-B-Cl-H-N +mp-567334,Ag(BCl)6,-5.1074885103,-0.9536326189,0.0,-0.0714017975,GGA,Pa-3,AB6C6_cP104_205_c_2d_2d:Ag-B-Cl,104.0,"Invalid WP multiplicities - AB6C6_cP104_205_c_24d_20d:Ag-B-Cl, expected Ag(B6Cl5)12 to be Ag(BCl)6" +mp-1204048,B2H26C8N20Cl2O,-6.4958880685,-0.5505889976,0.0,-0.0102935826,GGA,Pbcn,A2B8C2D26E20F_oP236_60_d_4d_d_13d_10d_c:B-C-Cl-H-N-O,236.0,A2B8C2D26E20F_oP236_60_d_4d_d_13d_10d_c:B-C-Cl-H-N-O +mp-545479,B4CCl6O,-5.3834691775,-1.0514574069,0.3132984613,0.3132984613,GGA,R3m,A4BC6D_hR36_160_ab_a_2b_a:B-C-Cl-O,12.0,"Invalid WP multiplicities - A4BC6D_hR36_160_a2b_a_3b_a:B-C-Cl-O, expected B7CCl9O to be B4CCl6O" +mp-1204520,AgB10P2H40C15NCl2O3,-5.3446548927,-0.1897124969,0.298710879,0.298710879,GGA,P2_1/c,AB10C15D2E40FG3H2_mP296_14_e_10e_15e_2e_40e_e_3e_2e:Ag-B-C-Cl-H-N-O-P,296.0,AB10C15D2E40FG3H2_mP296_14_e_10e_15e_2e_40e_e_3e_2e:Ag-B-C-Cl-H-N-O-P +mp-1194676,ZnH24Au2C12S8(NCl)4,-5.2735436772,-0.2952046976,0.1831385919,0.1831385919,GGA,C2/c,A2B12C4D24E4F8G_mC220_15_f_6f_2f_12f_2f_4f_e:Au-C-Cl-H-N-S-Zn,110.0,A2B12C4D24E4F8G_mC220_15_f_6f_2f_12f_2f_4f_e:Au-C-Cl-H-N-S-Zn +mp-722401,ZnH16C6S2(N2Cl)2,-5.4349450145,-0.3952254649,0.118409863,0.118409863,GGA,C2/c,A6B2C16D4E2F_mC124_15_3f_f_8f_2f_f_e:C-Cl-H-N-S-Zn,62.0,A6B2C16D4E2F_mC124_15_3f_f_8f_2f_f_e:C-Cl-H-N-S-Zn +mp-647252,ZnAu2(CN)4,-6.9864549503,0.1106495297,0.2023145586,0.2023145586,GGA,P6_222,A2B4C4D_hP66_180_k_2k_2k_f:Au-C-N-Zn,66.0,"Invalid WP multiplicities - A2B4C4D_hP66_180_k_11k_10k_f:Au-C-N-Zn, expected ZnAu2(C11N10)2 to be ZnAu2(CN)4" +mp-542891,ZnAu2(CN)4,-6.9899744417,0.1071300383,0.1987950672,0.1987950672,GGA,P6_422,A2B4C4D_hP66_181_k_2k_2k_f:Au-C-N-Zn,66.0,A2B4C4D_hP66_181_k_2k_2k_f:Au-C-N-Zn +mp-23707,ReH12C4O5F,-5.8633434209,-0.7886988896,0.2303928933,0.2303928933,GGA,P-1,A4BC12D5E_aP46_2_4i_i_12i_5i_i:C-F-H-O-Re,46.0,"Invalid WP multiplicities - A4BC12D5E_aP46_2_7i_i_12i_7i_i:C-F-H-O-Re, expected ReH12C7O7F to be ReH12C4O5F" +mp-1194856,P3H21C9S2(OF)6,-5.4631469252,-0.7829969315,0.2821054009,0.2821054009,GGA,P2_1/c,A9B6C21D6E3F2_mP188_14_9e_6e_21e_6e_3e_2e:C-F-H-O-P-S,188.0,A9B6C21D6E3F2_mP188_14_9e_6e_21e_6e_3e_2e:C-F-H-O-P-S +mp-1245644,GaCo2N3,-6.7837515625,0.2586178354,0.5268119517000001,0.5268119517000001,GGA,C2/c,A2BC3_mC48_15_2f_f_2e2f:Co-Ga-N,24.0,A2BC3_mC48_15_2f_f_2e2f:Co-Ga-N +mp-1245747,Ga2CoN3,-6.5760492617,-0.2137168258,0.2487886667,0.2487886667,GGA,Cmc2_1,AB2C3_oC24_36_a_b_ab:Co-Ga-N,12.0,AB2C3_oC24_36_a_b_ab:Co-Ga-N +mp-562835,GaCoPH18C9NCl2O3,-5.6328536108,-0.4508978068,0.1903935942,0.1903935942,GGA+U,P2_1/m,A9B2CDE18FG3H_mP72_11_3e3f_f_e_e_2e8f_e_ef_e:C-Cl-Co-Ga-H-N-O-P,72.0,"Invalid WP multiplicities - A9B2CDE18FG3H_mP72_11_6e10f_f_e_e_4e28f_e_2ef_e:C-Cl-Co-Ga-H-N-O-P, expected GaCoPH60C26N(ClO2)2 to be GaCoPH18C9NCl2O3" +mp-1245681,GaCoN2,-6.7569095913,-0.0545586744,0.31079113,0.31079113,GGA,Pna2_1,ABC2_oP16_33_a_a_2a:Co-Ga-N,16.0,ABC2_oP16_33_a_a_2a:Co-Ga-N +mp-1200913,Ga2CoP3NO14,-6.7251996395,-1.6302208661000002,0.5572982412,0.5572982412,GGA+U,C2/c,AB2CD14E3_mC84_15_e_f_e_7f_ef:Co-Ga-N-O-P,42.0,AB2CD14E3_mC84_15_e_f_e_7f_ef:Co-Ga-N-O-P +mp-1198682,GaPH9C3Cl3O,-5.0408564706,-0.7545104648000001,0.0,-0.047613371,GGA,Cc,A3B3CD9EF_mC72_9_3a_3a_a_9a_a_a:C-Cl-Ga-H-O-P,36.0,A3B3CD9EF_mC72_9_3a_3a_a_9a_a_a:C-Cl-Ga-H-O-P +mp-849682,Li2MnVP2(HO5)2,-7.3563119678,-2.4039391172,0.030921306,0.030921306,GGA+U,P1,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V,54.0,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-776553,Li2MnVP2(HO5)2,-7.3571464056,-2.4047735549,0.0300868682,0.0300868682,GGA+U,P1,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V,36.0,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V +mp-778728,Li2MnVP2(HO5)2,-7.3583257497,-2.4059528991,0.028907524,0.028907524,GGA+U,P1,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V,36.0,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V +mp-776591,Li2MnVP2(HO5)2,-7.3490708189,-2.3966979683,0.0381624548,0.0381624548,GGA+U,P1,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V,54.0,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-849423,Li2MnVP2(HO5)2,-7.3573215256,-2.4049486749,0.0299117482,0.0299117482,GGA+U,P1,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V,54.0,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-849523,Li2MnVP2(HO5)2,-7.358477005,-2.4061041544,0.0287562687,0.0287562687,GGA+U,P1,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V,54.0,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-1177882,Li2MnVP2(HO5)2,-7.3542790625,-2.4019062119,0.0329542112,0.0329542112,GGA+U,P1,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V,36.0,A2B2CD10E2F_aP36_1_4a_4a_2a_20a_4a_2a:H-Li-Mn-O-P-V +mp-1177933,Li2MnVP2(HO5)2,-7.3566641757,-2.4042913251,0.030569098,0.030569098,GGA+U,P1,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V,54.0,A2B2CD10E2F_aP54_1_6a_6a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-778070,Li2MnVP2(HO5)2,-7.3543385467,-2.401965696,0.0328947271,0.0328947271,GGA+U,P-1,A2B2CD10E2F_aP36_2_2i_2i_ac_10i_2i_fh:H-Li-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B2CD10E2F_aP36_2_3i_3i_ac_19i_3i_fh:H-Li-Mn-O-P-V, expected Li3MnVP3H3O19 to be Li2MnVP2(HO5)2" +mp-754810,Li2MnVP2(HO5)2,-7.3609351167,-2.408562266,0.0262981571,0.0262981571,GGA+U,P-1,A2B2CD10E2F_aP18_2_i_i_a_5i_i_b:H-Li-Mn-O-P-V,18.0,"Invalid WP multiplicities - A2B2CD10E2F_aP18_2_i_i_a_9i_i_b:H-Li-Mn-O-P-V, expected Li2MnVP2(HO9)2 to be Li2MnVP2(HO5)2" +mp-849542,Li2MnVP2(HO5)2,-7.3514693681,-2.3990965174,0.0357639057,0.0357639057,GGA+U,P-1,A2B2CD10E2F_aP36_2_2i_2i_af_10i_2i_ch:H-Li-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B2CD10E2F_aP36_2_3i_3i_af_19i_3i_ch:H-Li-Mn-O-P-V, expected Li3MnVP3H3O19 to be Li2MnVP2(HO5)2" +mp-776451,Li2MnVP2(HO5)2,-7.3575461104,-2.4051732597,0.0296871634,0.0296871634,GGA+U,P-1,A2B2CD10E2F_aP54_2_3i_3i_ai_15i_3i_ei:H-Li-Mn-O-P-V,54.0,"Invalid WP multiplicities - A2B2CD10E2F_aP54_2_5i_5i_a2i_28i_5i_e2i:H-Li-Mn-O-P-V, expected Li10Mn5V5P10(H5O28)2 to be Li2MnVP2(HO5)2" +mp-776482,Li2MnVP2(HO5)2,-7.3572177181,-2.4048448675,0.0300155556,0.0300155556,GGA+U,P-1,A2B2CD10E2F_aP54_2_3i_3i_ai_15i_3i_ei:H-Li-Mn-O-P-V,54.0,"Invalid WP multiplicities - A2B2CD10E2F_aP54_2_5i_5i_ai_29i_5i_ei:H-Li-Mn-O-P-V, expected Li10Mn3V3P10(H5O29)2 to be Li2MnVP2(HO5)2" +mp-849539,Li2MnVP2(HO5)2,-7.3539040267,-2.401531176,0.0333292471,0.0333292471,GGA+U,P-1,A2B2CD10E2F_aP36_2_2i_2i_af_10i_2i_ch:H-Li-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B2CD10E2F_aP36_2_3i_3i_af_19i_3i_ch:H-Li-Mn-O-P-V, expected Li3MnVP3H3O19 to be Li2MnVP2(HO5)2" +mp-776556,Li2MnVP2(HO5)2,-7.3580352708,-2.4056624202,0.0291980029,0.0291980029,GGA+U,P-1,A2B2CD10E2F_aP36_2_2i_2i_ah_10i_2i_cf:H-Li-Mn-O-P-V,36.0,"Invalid WP multiplicities - A2B2CD10E2F_aP36_2_3i_3i_ah_19i_3i_cf:H-Li-Mn-O-P-V, expected Li3MnVP3H3O19 to be Li2MnVP2(HO5)2" +mp-849445,Li2MnVP2(HO5)2,-7.3717469361,-2.4193740855,0.0154863376,0.0154863376,GGA+U,P-1,A2B2CD10E2F_aP18_2_i_i_a_5i_i_b:H-Li-Mn-O-P-V,36.0,A2B2CD10E2F_aP18_2_i_i_a_5i_i_b:H-Li-Mn-O-P-V +mp-776506,Li2MnVP2(HO5)2,-7.3526216541,-2.4002488034,0.0346116197,0.0346116197,GGA+U,P-1,A2B2CD10E2F_aP54_2_3i_3i_ai_15i_3i_ci:H-Li-Mn-O-P-V,54.0,"Invalid WP multiplicities - A2B2CD10E2F_aP54_2_5i_5i_ai_29i_5i_ci:H-Li-Mn-O-P-V, expected Li10Mn3V3P10(H5O29)2 to be Li2MnVP2(HO5)2" +mp-1177881,Li2MnVP2(HO5)2,-7.3585443293,-2.4061714786,0.0286889445,0.0286889445,GGA+U,P-1,A2B2CD10E2F_aP54_2_3i_3i_ai_15i_3i_ci:H-Li-Mn-O-P-V,54.0,"Invalid WP multiplicities - A2B2CD10E2F_aP54_2_5i_4i_a2i_29i_4i_c2i:H-Li-Mn-O-P-V, expected Li8Mn5V5P8(H5O29)2 to be Li2MnVP2(HO5)2" +mp-753439,Li3MnVP2(HO5)2,-7.20741862,-2.4152273475,0.0454646809,0.0454646809,GGA+U,P1,A2B3CD10E2F_aP19_1_2a_3a_a_10a_2a_a:H-Li-Mn-O-P-V,38.0,A2B3CD10E2F_aP19_1_2a_3a_a_10a_2a_a:H-Li-Mn-O-P-V +mp-760158,LiMnVP2(HO5)2,-7.4626428414,-2.3312435211,0.0412687155,0.0412687155,GGA+U,P1,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V,51.0,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-760245,LiMnVP2(HO5)2,-7.4621726025,-2.3307732823,0.0417389543,0.0417389543,GGA+U,P1,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V,51.0,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-802127,LiMnVP2(HO5)2,-4.2180467447,0.9133525756,3.2858648121,3.2858648121,GGA+U,P1,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V,17.0,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V +mp-760055,LiMnVP2(HO5)2,-7.4627422069,-2.3313428866,0.04116935,0.04116935,GGA+U,P1,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V,51.0,A2BCD10E2F_aP51_1_6a_3a_3a_30a_6a_3a:H-Li-Mn-O-P-V +mp-1235750,LiMnVP2(HO5)2,-7.4396800971,-2.3082807768,0.0642314598,0.0642314598,GGA+U,P1,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V,17.0,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V +mp-1391247,LiMnVP2(HO5)2,-3.4506638012,1.6807355191000002,4.0532477557,4.0532477557,GGA+U,P1,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V,17.0,A2BCD10E2F_aP17_1_2a_a_a_10a_2a_a:H-Li-Mn-O-P-V +mp-759884,LiMnVP2(HO5)2,-7.4618529682,-2.330453648,0.0420585886,0.0420585886,GGA+U,P-1,A2BCD10E2F_aP34_2_2i_i_bd_10i_2i_ch:H-Li-Mn-O-P-V,34.0,"Invalid WP multiplicities - A2BCD10E2F_aP34_2_3i_i_bd_19i_3i_ch:H-Li-Mn-O-P-V, expected LiMnVP3H3O19 to be LiMnVP2(HO5)2" +mp-759379,LiMnVP2(HO5)2,-7.4629265844,-2.3315272641,0.0409849724,0.0409849724,GGA+U,P-1,A2BCD10E2F_aP34_2_2i_i_be_10i_2i_i:H-Li-Mn-O-P-V,34.0,"Invalid WP multiplicities - A2BCD10E2F_aP34_2_3i_i_be_19i_3i_i:H-Li-Mn-O-P-V, expected LiMnVP3H3O19 to be LiMnVP2(HO5)2" +mp-759828,LiMnVP2(HO5)2,-7.4624650594,-2.3310657391,0.0414464974,0.0414464974,GGA+U,P-1,A2BCD10E2F_aP34_2_2i_i_be_10i_2i_i:H-Li-Mn-O-P-V,34.0,"Invalid WP multiplicities - A2BCD10E2F_aP34_2_3i_i_be_19i_3i_i:H-Li-Mn-O-P-V, expected LiMnVP3H3O19 to be LiMnVP2(HO5)2" +mp-760191,LiMnVP2(HO5)2,-7.4633247732,-2.331925453,0.0405867836,0.0405867836,GGA+U,P-1,A2BCD10E2F_aP34_2_2i_i_i_10i_2i_be:H-Li-Mn-O-P-V,34.0,"Invalid WP multiplicities - A2BCD10E2F_aP34_2_4i_i_i_18i_4i_be:H-Li-Mn-O-P-V, expected LiMnVP4(H2O9)2 to be LiMnVP2(HO5)2" +mp-1176607,LiMnVP2(HO5)2,-7.4607921879,-2.3293928677,0.0431193689,0.0431193689,GGA+U,P-1,A2BCD10E2F_aP34_2_2i_i_ah_10i_2i_cf:H-Li-Mn-O-P-V,34.0,"Invalid WP multiplicities - A2BCD10E2F_aP34_2_3i_i_ah_19i_3i_cf:H-Li-Mn-O-P-V, expected LiMnVP3H3O19 to be LiMnVP2(HO5)2" +mp-1227780,Ce2Ti2Fe22H,-8.1325701844,-0.0810755545,0.0302248529,0.0302248529,GGA,Cm,A2B22CD2_mC54_8_2a_14a4b_a_2a:Ce-Fe-H-Ti,27.0,"Invalid WP multiplicities - A2B22CD2_mC54_8_2a_14a8b_a_2a:Ce-Fe-H-Ti, expected Ce2Ti2Fe30H to be Ce2Ti2Fe22H" +mp-1190701,Ce2Fe17H3,-7.6184430591,-0.0714104675,0.0619905033,0.0619905033,GGA,R-3m,A2B17C3_hR66_166_c_cdfh_e:Ce-Fe-H,22.0,A2B17C3_hR66_166_c_cdfh_e:Ce-Fe-H +mp-818286,BaTiFe2(SiO5)2,-8.2117163227,-2.7697142883,0.1094789475,0.1094789475,GGA+U,Cm,AB2C10D2E_mC128_8_2ab_2a3b_8a16b_4b_2ab:Ba-Fe-O-Si-Ti,64.0,AB2C10D2E_mC128_8_2ab_2a3b_8a16b_4b_2ab:Ba-Fe-O-Si-Ti +mp-1202235,BaTiFe2(SiO5)2,-8.2136955944,-2.7716935601,0.1074996758,0.1074996758,GGA+U,P2_1/m,AB2C10D2E_mP32_11_e_ae_4e3f_f_e:Ba-Fe-O-Si-Ti,32.0,AB2C10D2E_mP32_11_e_ae_4e3f_f_e:Ba-Fe-O-Si-Ti +mp-1214504,Ce3Ti6Fe23,-8.2365014937,-0.1120418877,0.070321153,0.070321153,GGA,C2/m,A3B23C6_mC64_12_ai_de2i4j_g2i:Ce-Fe-Ti,32.0,A3B23C6_mC64_12_ai_cf2i4j_g2i:Ce-Fe-Ti +mp-1214950,Ba2NaCe2Ti2FeSi8HO27,-8.2037581325,-3.1664053094,0.0877870516,0.0877870516,GGA+U,C2,A2B2CDEF27G8H2_mC88_5_c_c_a_b_a_a2b12c_4c_c:Ba-Ce-Fe-H-Na-O-Si-Ti,44.0,A2B2CDEF27G8H2_mC88_5_c_c_a_b_a_a2b12c_4c_c:Ba-Ce-Fe-H-Na-O-Si-Ti +mp-1519179,BaNaCeFeO6,-7.171568894,-2.4390946074,0.11233482,0.11233482,GGA+U,F-43m,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Fe-Na-O,10.0,ABCDE6_cF40_216_c_a_b_d_f:Ba-Ce-Fe-Na-O +mp-1226803,CeTiFe11,-8.2888112515,-0.0581332145,0.026101405,0.026101405,GGA,Imm2,AB11C_oI26_44_a_a2b2ce_a:Ce-Fe-Ti,13.0,AB11C_oI26_44_a_a2b2ce_a:Ce-Fe-Ti +mp-1229035,Ba2Ce2Ti2Fe(Si4O13)2,-8.51173948,-3.3414569394,0.0242786793,0.0242786793,GGA+U,C2,A2B2CD26E8F2_mC82_5_c_c_a_2b12c_4c_c:Ba-Ce-Fe-O-Si-Ti,41.0,"Invalid WP multiplicities - A2B2CD26E8F2_mC82_5_c_c_a_2b16c_5c_c:Ba-Ce-Fe-O-Si-Ti, expected Ba2Ce2Ti2Fe(Si5O17)2 to be Ba2Ce2Ti2Fe(Si4O13)2" +mp-720855,CoH17S2N5ClO4,-5.3114310783,-0.7655868641,0.0731248091,0.0731248091,GGA+U,Pnma,ABC17D5E4F2_oP120_62_c_c_3c7d_c2d_2cd_2c:Cl-Co-H-N-O-S,120.0,ABC17D5E4F2_oP120_62_c_c_3c7d_c2d_2cd_2c:Cl-Co-H-N-O-S +mp-1226135,Co4P6SN12,-6.6484842148,0.5292320977,0.9767156853,0.9767156853,GGA,I-42m,A4B12C6D_tI46_121_i_ij_ci_a:Co-N-P-S,23.0,"Invalid WP multiplicities - A4B12C6D_tI46_121_i_4i4j_ci_a:Co-N-P-S, expected Co4P6SN48 to be Co4P6SN12" +mp-555563,PH6C2S2N(ClO2)2,-5.4392421712,-0.7547859164,0.3997002808,0.3997002808,GGA,P2_1/c,A2B2C6DE4FG2_mP144_14_4e_4e_12e_2e_8e_2e_4e:C-Cl-H-N-O-P-S,144.0,"Invalid WP multiplicities - A2B2C6DE4FG2_mP144_14_12e_13e_44e_4e_28e_4e_14e:C-Cl-H-N-O-P-S, expected P4H44C12S14N4Cl13O28 to be PH6C2S2N(ClO2)2" +mp-1095455,CoCS(N3Cl)2,-5.4107593873,1.3337384331,1.6430270525,1.6430270525,GGA,I4mm,AB2CD6E_tI22_107_a_b_a_2ac_a:C-Cl-Co-N-S,11.0,AB2CD6E_tI22_107_a_b_a_2ac_a:C-Cl-Co-N-S +mp-746679,CoP2H24C8S4NClO4,-5.3859348958,-0.5035513908,0.1353596189,0.1353596189,GGA+U,P-1,A8BCD24EF4G2H4_aP90_2_8i_i_i_24i_i_4i_2i_4i:C-Cl-Co-H-N-O-P-S,90.0,A8BCD24EF4G2H4_aP90_2_8i_i_i_24i_i_4i_2i_4i:C-Cl-Co-H-N-O-P-S +mp-735513,CoH20S2N6ClO4,-5.3000591196,-0.7444708994,0.0452960412,0.0452960412,GGA+U,P2_1/c,ABC20D6E4F2_mP136_14_e_ad_20e_6e_4e_2e:Cl-Co-H-N-O-S,136.0,ABC20D6E4F2_mP136_14_e_ab_20e_6e_4e_2e:Cl-Co-H-N-O-S +mp-1199171,CoH24C4S4N8(ClO4)2,-5.5008451747,-0.5605168076,0.3302469386,0.3302469386,GGA+U,P-1,A4B2CD24E8F8G4_aP51_2_2i_i_a_12i_4i_4i_2i:C-Cl-Co-H-N-O-S,51.0,A4B2CD24E8F8G4_aP51_2_2i_i_a_12i_4i_4i_2i:C-Cl-Co-H-N-O-S +mp-559704,PH9C3S2NClO4,-5.4700069289,-0.618648855,0.3875707645,0.3875707645,GGA,P2_1/c,A3BC9DE4FG2_mP84_14_3e_e_9e_e_4e_e_2e:C-Cl-H-N-O-P-S,84.0,"Invalid WP multiplicities - A3BC9DE4FG2_mP84_14_10e_e_35e_e_14e_e_5e:C-Cl-H-N-O-P-S, expected PH35C10S5NClO14 to be PH9C3S2NClO4" +mp-1196906,CoS2N5ClO4,-5.8506271092,0.2031408645,1.0991481843,1.0991481843,GGA+U,Pnma,ABC5D4E2_oP52_62_c_c_c2d_2cd_2c:Cl-Co-N-O-S,52.0,ABC5D4E2_oP52_62_c_c_c2d_2cd_2c:Cl-Co-N-O-S +mp-1199306,CoH16C4S4(N4Cl)2,-5.7338819508,-0.441269703,0.0757449035,0.0757449035,GGA,P4_2/n,A4B2CD16E8F4_tP140_86_2g_g_c_8g_4g_2g:C-Cl-Co-H-N-S,140.0,A4B2CD16E8F4_tP140_86_2g_g_c_8g_4g_2g:C-Cl-Co-H-N-S +mp-1194875,FePH12(CCl)4,-5.0235212005,-0.5278464338000001,0.0,-0.0517752284,GGA,P6_3mc,A4B4CD12E_hP44_186_bc_ac_a_2cd_b:C-Cl-Fe-H-P,44.0,A4B4CD12E_hP44_186_bc_ac_a_2cd_b:C-Cl-Fe-H-P +mp-723036,FeH16C4S4(N4Cl)2,-5.7609113916,-0.4293933319,0.1009506192,0.1009506192,GGA,P4_2/n,A4B2CD16E8F4_tP140_86_2g_g_c_8g_4g_2g:C-Cl-Fe-H-N-S,140.0,A4B2CD16E8F4_tP140_86_2g_g_c_8g_4g_2g:C-Cl-Fe-H-N-S +mp-690844,FeH2C4N4Cl6O,-5.0238074264,0.6180827759,1.28167288,1.28167288,GGA+U,Pba2,A4B6CD2E4F_oP36_32_2c_3c_a_c_2c_b:C-Cl-Fe-H-N-O,36.0,A4B6CD2E4F_oP36_32_2c_3c_a_c_2c_b:C-Cl-Fe-H-N-O +mp-849222,FeH10N2Cl5O,-4.8001987687,-0.944428057,0.0,-0.0090995413,GGA+U,Pnma,A5BC10D2E_oP76_62_3cd_c_5d_d_c:Cl-Fe-H-N-O,76.0,"Invalid WP multiplicities - A5BC10D2E_oP76_62_9c4d_c_17d_d_c:Cl-Fe-H-N-O, expected FeH34N2Cl17O to be FeH10N2Cl5O" +mp-603940,FeH12C4NCl4,-5.079162818,-0.4506156686,0.0862463039,0.0862463039,GGA,Pma2,A4B4CD12E_oP44_28_2d_2cd_c_6d_a:C-Cl-Fe-H-N,44.0,"Invalid WP multiplicities - A4B4CD12E_oP44_28_4d_3c2d_c_22d_a:C-Cl-Fe-H-N, expected FeH44C8NCl7 to be FeH12C4NCl4" +mp-1195083,FeH12C2(NCl2)2,-4.977155612,-0.6101460299,0.0470897514,0.0470897514,GGA,Pccn,A2B4CD12E2_oP84_56_e_cde_a_6e_e:C-Cl-Fe-H-N,84.0,A2B4CD12E2_oP84_56_e_cde_a_6e_e:C-Cl-Fe-H-N +mp-1194613,FeH12C2(NCl2)2,-4.9771415604,-0.6101319782,0.0471038031,0.0471038031,GGA,P4_2/ncm,A2B4CD12E2_tP84_138_i_aei_c_2i2j_i:C-Cl-Fe-H-N,84.0,A2B4CD12E2_tP84_138_i_aei_c_2i2j_i:C-Cl-Fe-H-N +mp-1200723,FeH24C2S2(N3O7)2,-5.9120672885,-1.0978165024,0.0279413666,0.0279413666,GGA+U,P2_1/c,A2BC24D6E14F2_mP98_14_e_a_12e_3e_7e_e:C-Fe-H-N-O-S,98.0,A2BC24D6E14F2_mP98_14_e_a_12e_3e_7e_e:C-Fe-H-N-O-S +mp-1203520,FeH12C5NCl2O5,-5.8322158062,-0.7517129979,0.2090361087,0.2090361087,GGA+U,P2_1/c,A5B2CD12EF5_mP104_14_5e_2e_e_12e_e_5e:C-Cl-Fe-H-N-O,104.0,A5B2CD12EF5_mP104_14_5e_2e_e_12e_e_5e:C-Cl-Fe-H-N-O +mp-746355,FeP3H18C6(SO)6,-5.5423857469,-0.6511401978,0.1572361034,0.1572361034,GGA+U,C2/c,A6BC18D6E3F6_mC160_15_3f_e_9f_3f_ef_3f:C-Fe-H-O-P-S,80.0,A6BC18D6E3F6_mC160_15_3f_e_9f_3f_ef_3f:C-Fe-H-O-P-S +mp-705041,Fe2P3C8N3(ClO2)4,-7.0880861929,-0.6957142291,0.5744862906,0.5744862906,GGA+U,P2_1,A8B4C2D3E8F3_mP112_4_16a_8a_4a_6a_16a_6a:C-Cl-Fe-N-O-P,112.0,"Invalid WP multiplicities - A8B4C2D3E8F3_mP112_4_31a_15a_6a_9a_30a_12a:C-Cl-Fe-N-O-P, expected Fe6P12C31N9(ClO2)15 to be Fe2P3C8N3(ClO2)4" +mp-1193721,FeH12C8S2(NO)2,-6.1709940367,-0.3246486775,0.2045997728,0.2045997728,GGA+U,P-1,A8BC12D2E2F2_aP27_2_4i_a_6i_i_i_i:C-Fe-H-N-O-S,27.0,A8BC12D2E2F2_aP27_2_4i_a_6i_i_i_i:C-Fe-H-N-O-S +mp-744001,Fe2H13C6NCl2O11,-6.3355056246,-1.1108022523,0.1080141984,0.1080141984,GGA+U,Cc,A6B2C2D13EF11_mC140_9_6a_2a_2a_13a_a_11a:C-Cl-Fe-H-N-O,70.0,A6B2C2D13EF11_mC140_9_6a_2a_2a_13a_a_11a:C-Cl-Fe-H-N-O +mp-1199675,FePH6C2SO7,-6.0666578551,-0.9855310875,0.4998048915,0.4998048915,GGA+U,P2_1/c,A2BC6D7EF_mP72_14_2e_e_6e_7e_e_e:C-Fe-H-O-P-S,72.0,A2BC6D7EF_mP72_14_2e_e_6e_7e_e_e:C-Fe-H-O-P-S +mp-1197408,FeH12C6N(ClO2)2,-5.9220397989,-0.6768455761000001,0.1691234627,0.1691234627,GGA+U,P2_1/c,A6B2CD12EF4_mP104_14_6e_2e_e_12e_e_4e:C-Cl-Fe-H-N-O,104.0,A6B2CD12EF4_mP104_14_6e_2e_e_12e_e_4e:C-Cl-Fe-H-N-O +mp-1225202,Fe4P6SN12,-6.9332589157,0.481275382,0.9798470488,0.9798470488,GGA,I-42m,A4B12C6D_tI46_121_i_ij_ci_a:Fe-N-P-S,23.0,"Invalid WP multiplicities - A4B12C6D_tI46_121_i_4i4j_ci_a:Fe-N-P-S, expected Fe4P6SN48 to be Fe4P6SN12" +mp-1194614,FeH20C8NCl4,-5.2071843822,-0.3282282759,0.0939703238,0.0939703238,GGA,Pca2_1,A8B4CD20E_oP136_29_8a_4a_a_20a_a:C-Cl-Fe-H-N,136.0,A8B4CD20E_oP136_29_8a_4a_a_20a_a:C-Cl-Fe-H-N +mp-728472,FeP2H24C8S4NClO4,-5.4261259103,-0.5134823294,0.1357959484,0.1357959484,GGA+U,P-1,A8BCD24EF4G2H4_aP90_2_8i_i_i_24i_i_4i_2i_4i:C-Cl-Fe-H-N-O-P-S,90.0,A8BCD24EF4G2H4_aP90_2_8i_i_i_24i_i_4i_2i_4i:C-Cl-Fe-H-N-O-P-S +mp-634187,Fe3H6C6(N3Cl4)2,-6.1329387503,-0.4106740716,0.2175595401,0.2175595401,GGA,P-3,A6B8C3D6E6_hP29_147_g_dg_ad_g_g:C-Cl-Fe-H-N,29.0,A6B8C3D6E6_hP29_147_g_dg_ad_g_g:C-Cl-Fe-H-N +mp-600165,FeH24C8(NCl2)2,-5.1273727253,-0.3121956299,0.1395385983,0.1395385983,GGA,Pnma,A8B4CD24E2_oP156_62_4c2d_2cd_c_4c10d_2c:C-Cl-Fe-H-N,156.0,"Invalid WP multiplicities - A8B4CD24E2_oP156_62_16c12d_8c4d_c_16c73d_6c:C-Cl-Fe-H-N, expected FeH162C40(N3Cl8)2 to be FeH24C8(NCl2)2" +mp-1198805,FeH12C8S2(N3O)2,-6.3678934723000005,-0.2002384917,0.3285273769,0.3285273769,GGA+U,P2_1/c,A8BC12D6E2F2_mP62_14_4e_a_6e_3e_e_e:C-Fe-H-N-O-S,62.0,A8BC12D6E2F2_mP62_14_4e_a_6e_3e_e_e:C-Fe-H-N-O-S +mp-1196821,Fe2H54N18Cl4O,-5.1377363624,-0.5485592377,0.0048155086,0.0048155086,GGA+U,P-1,A4B2C54D18E_aP79_2_2i_i_27i_9i_a:Cl-Fe-H-N-O,79.0,A4B2C54D18E_aP79_2_2i_i_27i_9i_a:Cl-Fe-H-N-O +mp-1204478,FeH16C4N2Cl5,-5.0288888491,-0.5437469545,0.0415138527,0.0415138527,GGA,P2_1/c,A4B5CD16E2_mP112_14_4e_5e_e_16e_2e:C-Cl-Fe-H-N,112.0,A4B5CD16E2_mP112_14_4e_5e_e_16e_2e:C-Cl-Fe-H-N +mp-1190513,FeH5CN(ClO)2,-5.7773645233,-1.0615926404,0.0081816334,0.0081816334,GGA+U,C2/c,AB2CD5EF2_mC48_15_e_f_a_e2f_e_f:C-Cl-Fe-H-N-O,48.0,AB2CD5EF2_mC48_15_e_f_a_e2f_e_f:C-Cl-Fe-H-N-O +mp-709074,FeH16C4(NCl2)2,-5.0296946334,-0.4469006931,0.111389896,0.111389896,GGA,P2_1/c,A4B4CD16E2_mP108_14_4e_4e_e_16e_2e:C-Cl-Fe-H-N,108.0,A4B4CD16E2_mP108_14_4e_4e_e_16e_2e:C-Cl-Fe-H-N +mp-1202060,FeC3NCl3O2,-5.5715246102,0.4216253913,1.4186027801,1.4186027801,GGA+U,Pnma,A3B3CDE2_oP40_62_cd_3c_a_c_d:C-Cl-Fe-N-O,40.0,A3B3CDE2_oP40_62_cd_3c_a_c_d:C-Cl-Fe-N-O +mp-40374,Na6TiMn(SiO3)6,-7.4595119528,-2.8787318262,0.0360159825,0.0360159825,GGA+U,R3m,AB6C18D6E_hR96_160_a_2b_4bc_2b_a:Mn-Na-O-Si-Ti,32.0,"Invalid WP multiplicities - AB6C18D6E_hR96_160_a_4b_8b3c_4b_a:Mn-Na-O-Si-Ti, expected Na12TiMn(Si2O7)6 to be Na6TiMn(SiO3)6" +mp-1210900,Na2Ti3Mn(Si2O11)2,-7.2318616253,-2.0436751973,0.5519250043,0.5519250043,GGA+U,P1,AB2C22D4E3_aP32_1_a_2a_22a_4a_3a:Mn-Na-O-Si-Ti,32.0,AB2C22D4E3_aP32_1_a_2a_22a_4a_3a:Mn-Na-O-Si-Ti +mp-1238298,Na2Ti3Mn(Si2O11)2,-7.2868136634,-2.0986272354,0.4969729662,0.4969729662,GGA+U,P1,AB2C22D4E3_aP32_1_a_2a_22a_4a_3a:Mn-Na-O-Si-Ti,32.0,AB2C22D4E3_aP32_1_a_2a_22a_4a_3a:Mn-Na-O-Si-Ti +mp-554248,KNaMn(Si2O5)2,-7.8374056647,-2.9689880903,0.0,-0.0240752435,GGA+U,P-1,ABCD10E4_aP34_2_i_i_i_10i_4i:K-Mn-Na-O-Si,34.0,"Invalid WP multiplicities - ABCD10E4_aP34_2_i_i_i_19i_6i:K-Mn-Na-O-Si, expected KNaMnSi6O19 to be KNaMn(Si2O5)2" +mp-1200158,K2BaNa2Ti4(SiO4)8,-7.6037332618,-2.7044807213,0.1944353887,0.1944353887,GGA,Cm,AB2C2D32E8F4_mC98_8_a_2a_b_4a14b_4b_2b:Ba-K-Na-O-Si-Ti,49.0,AB2C2D32E8F4_mC98_8_a_2a_b_4a14b_4b_2b:Ba-K-Na-O-Si-Ti +mp-1217077,Ti2Si6W,-7.2630722956,-0.4518475796,0.0061860744,0.0061860744,GGA,C222,A6B2C_oC18_21_el_k_a:Si-Ti-W,9.0,"Invalid WP multiplicities - A6B2C_oC18_21_2e2l_k_a:Si-Ti-W, expected Ti2Si12W to be Ti2Si6W" +mp-1212630,K2BaNa2Ti4Si8(WO7)4,-8.1026472196,-2.549399453,0.4118895566,0.4118895566,GGA+U,Cm,AB2C2D28E8F4G4_mC98_8_a_2a_b_4a12b_4b_2b_2b:Ba-K-Na-O-Si-Ti-W,49.0,AB2C2D28E8F4G4_mC98_8_a_2a_b_4a12b_4b_2b_2b:Ba-K-Na-O-Si-Ti-W +mp-1213587,K4Ba2Na4Ti8MnSi16(W4O29)2,-8.1140525122,-2.5370854445,0.4081611899,0.4081611899,GGA+U,C2/m,A2B4CD4E58F16G8H8_mC202_12_i_2i_a_j_5i12j_4j_ghj_2j:Ba-K-Mn-Na-O-Si-Ti-W,101.0,A2B4CD4E58F16G8H8_mC202_12_i_2i_a_j_5i12j_4j_ghj_2j:Ba-K-Mn-Na-O-Si-Ti-W +mp-1200379,K4Ba2Na4Ti8Mn(Si8O33)2,-7.333468415,-2.3910709725,0.4761303788,0.4761303788,GGA+U,C2/m,A2B4CD4E66F16G8_mC202_12_i_2i_a_j_5i14j_4j_ghj:Ba-K-Mn-Na-O-Si-Ti,101.0,A2B4CD4E66F16G8_mC202_12_i_2i_a_j_5i14j_4j_ghj:Ba-K-Mn-Na-O-Si-Ti +mp-1215159,Ba3NaMn4Si6O23,-7.8360891255,-2.6995145357,0.1595854165,0.1595854165,GGA+U,Pnma,A3B4CD23E6_oP148_62_cd_2d_c_5c9d_2c2d:Ba-Mn-Na-O-Si,148.0,A3B4CD23E6_oP148_62_cd_2d_c_5c9d_2c2d:Ba-Mn-Na-O-Si +mp-1197723,ZrMnSi2,-7.7931625927,-0.6530745972,0.0136067592,0.0136067592,GGA,Pbam,AB2C_oP48_55_ei_2g2hi_gi:Mn-Si-Zr,48.0,AB2C_oP48_55_ei_2g2hi_gi:Mn-Si-Zr +mp-18059,ZrMnSi2,-7.7979146929,-0.6578266974,0.008854659,0.008854659,GGA,Immm,AB2C_oI48_71_ik_efghl_gl:Mn-Si-Zr,24.0,AB2C_oI48_71_ik_efghl_gl:Mn-Si-Zr +mp-1215733,Zr3Mn8Si,-8.8631742758,-0.1661290878,0.0952817376,0.0952817376,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Mn-Si-Zr,12.0,A8BC3_hP12_156_2b2d_a_a2c:Mn-Si-Zr +mp-22227,ZrMnSi,-8.382490815,-0.670812831,0.0,-0.0562497683,GGA,Pnma,ABC_oP12_62_c_c_c:Mn-Si-Zr,12.0,ABC_oP12_62_c_c_c:Mn-Si-Zr +mp-31310,Zr3(Mn2Si3)2,-7.9233775361,-0.6277566716,0.0041278595,0.0041278595,GGA,P4_2/mbc,A4B6C3_tP104_135_ghi_g5h_3h:Mn-Si-Zr,104.0,A4B6C3_tP104_135_ghi_g5h_3h:Mn-Si-Zr +mp-554429,Mn3Si(O2F)2,-8.3742795453,-2.7221718766,0.0,-0.0151533392,GGA+U,Pnma,A2B3C4D_oP40_62_d_cd_2cd_c:F-Mn-O-Si,40.0,"Invalid WP multiplicities - A2B3C4D_oP40_62_d_4c3d_6c5d_c:F-Mn-O-Si, expected Mn10Si(O8F)2 to be Mn3Si(O2F)2" +mp-1211039,MnSi(OF)6,-5.1419399095,-1.1607728099,0.7361331882000001,0.7361331882000001,GGA+U,P-3,A6BC6D_hP42_147_3g_ad_3g_bd:F-Mn-O-Si,42.0,A6BC6D_hP42_147_3g_ad_3g_bd:F-Mn-O-Si +mp-561353,NaZr2MnF11,-6.963540372,-3.7231263395,0.0,-0.0124426297,GGA+U,C2/m,A11BCD2_mC30_12_bh2ij_a_c_i:F-Mn-Na-Zr,15.0,A11BCD2_mC30_12_ah2ij_b_c_i:F-Mn-Na-Zr +mp-560480,Na5Zr2MnF15,-6.1664991824,-3.4907501593,0.0060965172,0.0060965172,GGA+U,Cmcm,A15BC5D2_oC92_63_c3g2h_a_beg_g:F-Mn-Na-Zr,46.0,A15BC5D2_oC92_63_c3g2h_a_beg_g:F-Mn-Na-Zr +mp-1210304,Na2MnFeF7,-5.9279095341,-2.868142274,0.0253626834,0.0253626834,GGA+U,Imma,A7BCD2_oI44_74_ehj_a_c_bd:F-Fe-Mn-Na,22.0,"Invalid WP multiplicities - A7BCD2_oI44_74_2e2hj_a_c_bd:F-Fe-Mn-Na, expected Na2MnFeF10 to be Na2MnFeF7" +mp-1221376,Na2MnFeF7,-5.9352006383,-2.8754333782,0.0180715792,0.0180715792,GGA+U,P3_1,A7BCD2_hP66_144_14a_2a_2a_4a:F-Fe-Mn-Na,66.0,A7BCD2_hP66_144_14a_2a_2a_4a:F-Fe-Mn-Na +mp-1209999,NaMnFeF6,-6.2423752311,-2.8619934977,0.0,-0.0098157542,GGA+U,P321,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Mn-Na,27.0,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Mn-Na +mp-1215517,Zr2MnFe3,-8.8672038433,-0.2559571463,0.00140923,0.00140923,GGA,R-3m,A3BC2_hR18_166_d_a_c:Fe-Mn-Zr,6.0,A3BC2_hR18_166_d_a_c:Fe-Mn-Zr +mp-22242,NaZr2FeF11,-6.8350338547,-3.6407527609,0.0,-0.0172456031,GGA+U,C2/m,A11BCD2_mC30_12_bh2ij_a_c_i:F-Fe-Na-Zr,15.0,A11BCD2_mC30_12_ah2ij_b_c_i:F-Fe-Na-Zr +mp-562418,ZrFeF6,-7.060955065,-3.5001306094,0.0,-0.0265121516,GGA+U,R-3,A6BC_hR24_148_f_a_b:F-Fe-Zr,8.0,A6BC_hR24_148_f_a_b:F-Fe-Zr +mp-554971,ZrFeF6,-6.8872519387,-3.3264274831,0.1737031263,0.1471909747,GGA+U,Fm-3m,A6BC_cF32_225_e_a_b:F-Fe-Zr,8.0,A6BC_cF32_225_e_a_b:F-Fe-Zr +mp-1206115,Zr3FeF6,-6.511804731,-1.9536050405,1.0910428047,1.0910428047,GGA+U,P-1,A6BC3_aP10_2_3i_a_bce:F-Fe-Zr,10.0,A6BC3_aP10_2_3i_a_bce:F-Fe-Zr +mp-1237309,Zr3FeF6,-6.411522543,-1.8533228525,1.1913249927,1.1913249927,GGA+U,P-1,A6BC3_aP10_2_3i_c_abd:F-Fe-Zr,10.0,A6BC3_aP10_2_3i_c_abd:F-Fe-Zr +mp-1207483,Zr3FeF6,-6.283520686,-1.7253209955000002,1.3193268497,1.3193268497,GGA+U,C2/m,A6BC3_mC20_12_ij_a_ce:F-Fe-Zr,10.0,"Invalid WP multiplicities - A6BC3_mC20_12_i2j_c_be:F-Fe-Zr, expected Zr3FeF10 to be Zr3FeF6" +mp-1221915,Na2Ca2Zr2MnFeSi4O17F,-8.097847192,-3.1281756157,0.0364791517,0.0364791517,GGA+U,P1,A2BCDE2F17G4H2_aP60_1_4a_2a_2a_2a_4a_34a_8a_4a:Ca-F-Fe-Mn-Na-O-Si-Zr,60.0,A2BCDE2F17G4H2_aP60_1_4a_2a_2a_2a_4a_34a_8a_4a:Ca-F-Fe-Mn-Na-O-Si-Zr +mp-743864,Zr2Fe2F3,-6.9009565943,-1.2195450825,1.0451824038,1.0451824038,GGA+U,Cm,A3B2C2_mC28_8_2a2b_2ab_2ab:F-Fe-Zr,14.0,"Invalid WP multiplicities - A3B2C2_mC28_8_2a2b_2a2b_2ab:F-Fe-Zr, expected Zr2Fe3F3 to be Zr2Fe2F3" +mp-1100822,Zr2Fe2F3,-6.7415630307,-1.0601515189,1.2045759673,1.2045759673,GGA+U,Cm,A3B2C2_mC28_8_2a2b_2ab_2ab:F-Fe-Zr,14.0,"Invalid WP multiplicities - A3B2C2_mC28_8_2a2b_2a2b_2ab:F-Fe-Zr, expected Zr2Fe3F3 to be Zr2Fe2F3" +mp-1210430,Na2ZrFeSi2O8F,-7.7704590515,-2.9705659085,0.0075691507,0.0075691507,GGA+U,P2_1/c,ABC2D8E2F_mP60_14_e_e_2e_8e_2e_e:F-Fe-Na-O-Si-Zr,60.0,ABC2D8E2F_mP60_14_e_e_2e_8e_2e_e:F-Fe-Na-O-Si-Zr +mp-1215286,ZrMnFe,-8.9466951542,-0.2201161101,0.0139332192,0.0139332192,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Fe-Mn-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Fe-Mn-Zr, expected Zr3(MnFe)2 to be ZrMnFe" +mp-1215321,ZrMnFe,-8.9175988975,-0.1910198535,0.0430294758,0.0430294758,GGA,Amm2,ABC_oC24_38_abd_ce_2c:Fe-Mn-Zr,12.0,"Invalid WP multiplicities - ABC_oC24_38_abd_ce_3c:Fe-Mn-Zr, expected Zr3(MnFe)2 to be ZrMnFe" +mp-1210421,NaCaZrFeSi2O8F,-8.0170228075,-3.1715913588,0.0063285018,0.0063285018,GGA+U,P2_1/c,ABCDE8F2G_mP60_14_e_e_e_e_8e_2e_e:Ca-F-Fe-Na-O-Si-Zr,60.0,ABCDE8F2G_mP60_14_e_e_e_e_8e_2e_e:Ca-F-Fe-Na-O-Si-Zr +mp-1198250,Zn4As3C3N3O13,-5.8627122519,-0.6312213229,0.8841973426,0.8841973426,GGA,P2_1,A3B3C3D13E4_mP52_4_3a_3a_3a_13a_4a:As-C-N-O-Zn,52.0,A3B3C3D13E4_mP52_4_3a_3a_3a_13a_4a:As-C-N-O-Zn +mp-1193565,ZnAsNO4,-5.3518608004,-0.4887019739,0.9590290613,0.9590290613,GGA,P2_1,ABC4D_mP28_4_2a_2a_8a_2a:As-N-O-Zn,28.0,ABC4D_mP28_4_2a_2a_8a_2a:As-N-O-Zn +mp-555971,ZnAs2C12(NF)12,-6.9262981623,-0.6622557767,0.3259387196,0.3259387196,GGA,R-3,A2B12C12D12E_hR117_148_c_2f_2f_2f_a:As-C-F-N-Zn,39.0,"Invalid WP multiplicities - A2B12C12D12E_hR117_148_c_6f_8f_7f_a:As-C-F-N-Zn, expected ZnAs2C36(N7F8)6 to be ZnAs2C12(NF)12" +mp-1215742,ZnC2S2(OF)2,-4.9723786911,-0.3383442815,1.2162668353,1.2162668353,GGA,P-1,A2B2C2D2E_aP9_2_i_i_i_i_a:C-F-O-S-Zn,9.0,A2B2C2D2E_aP9_2_i_i_i_i_a:C-F-O-S-Zn +mp-1201031,ZnAs2S4(O2F3)4,-5.3831709098000005,-2.0633547177,0.0316786487,0.0316786487,GGA,P2_1/c,A2B12C8D4E_mP108_14_2e_12e_8e_4e_e:As-F-O-S-Zn,108.0,A2B12C8D4E_mP108_14_2e_12e_8e_4e_e:As-F-O-S-Zn +mp-556173,ZnAs2C6S12N12(OF2)6,-6.1839462137,-0.9242758068,0.2463413867,0.2463413867,GGA,P-3,A2B6C12D12E6F12G_hP51_147_d_g_2g_2g_g_2g_a:As-C-F-N-O-S-Zn,51.0,"Invalid WP multiplicities - A2B6C12D12E6F12G_hP51_147_d_g_7g_7g_g_7g_a:As-C-F-N-O-S-Zn, expected ZnAs2C6S42N42(OF7)6 to be ZnAs2C6S12N12(OF2)6" +mp-727270,Zn4As3NO13,-5.412113121,-1.0473617959,0.5830833368,0.5830833368,GGA,I2_13,A3BC13D4_cI168_199_c_a_a4c_ac:As-N-O-Zn,84.0,A3BC13D4_cI168_199_c_a_a4c_ac:As-N-O-Zn +mp-40886,ZnC2S2(OF)6,-5.8918205976,-1.8248217505,0.1790221572,0.1790221572,GGA,R-3,A2B6C6D2E_hR51_148_c_f_f_c_a:C-F-O-S-Zn,17.0,A2B6C6D2E_hR51_148_c_f_f_c_a:C-F-O-S-Zn +mp-1207554,ZnAs2C4(NF9)2,-5.548425963,-1.8976017535,0.1361443059,0.1361443059,GGA,P2_1/c,A2B4C18D2E_mP54_14_e_2e_9e_e_a:As-C-F-N-Zn,54.0,A2B4C18D2E_mP54_14_e_2e_9e_e_a:As-C-F-N-Zn +mp-1200652,ZnAs3OF18,-4.5396699351,-2.1661738938,0.0770685543,0.0770685543,GGA,Pnma,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-O-Zn,92.0,A3B18CD_oP92_62_cd_4c7d_c_a:As-F-O-Zn +mp-1211060,Na5Ca7Zr2Ti2Si8(O5F)6,-7.6878138972,-3.4076423921,0.0056711085,0.0056711085,GGA,P-1,A7B6C5D30E8F2G2_aP60_2_a3i_3i_b2i_15i_4i_df_i:Ca-F-Na-O-Si-Ti-Zr,60.0,A7B6C5D30E8F2G2_aP60_2_a3i_3i_b2i_15i_4i_df_i:Ca-F-Na-O-Si-Ti-Zr +mp-1210589,Na2Ca5TiSi4(O8F)2,-7.4186637853,-3.2440040707,0.0464406847,0.0464406847,GGA,P1,A5B2C2D16E4F_aP30_1_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti,30.0,A5B2C2D16E4F_aP30_1_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti +mp-1221464,Na2Ca5TiSi4(O8F)2,-7.4074924857,-3.232832771,0.0576119843,0.0576119843,GGA,P1,A5B2C2D16E4F_aP30_1_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti,30.0,A5B2C2D16E4F_aP30_1_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti +mp-1210862,Na2Ca5TiSi4(O8F)2,-7.4060895568,-3.2314298422,0.0590149132,0.0590149132,GGA,P2_1,A5B2C2D16E4F_mP60_4_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti,60.0,A5B2C2D16E4F_mP60_4_5a_2a_2a_16a_4a_a:Ca-F-Na-O-Si-Ti +mp-1210426,Na4Ca4Ti4Si4O22F3,-7.5971247715,-3.1786533219,0.0479930135,0.0479930135,GGA,C2/c,A4B3C4D22E4F4_mC164_15_2f_ef_2f_2e10f_2f_2f:Ca-F-Na-O-Si-Ti,82.0,A4B3C4D22E4F4_mC164_15_2f_ef_2f_2e10f_2f_2f:Ca-F-Na-O-Si-Ti +mp-1221189,Na5Ca7Zr2TiMnSi8(O8F)4,-7.6619929307,-3.2595390462,0.0197657643,0.0197657643,GGA+U,P-1,A7B4CD5E32F8GH2_aP60_2_a3i_2i_d_b2i_16i_4i_f_i:Ca-F-Mn-Na-O-Si-Ti-Zr,60.0,A7B4CD5E32F8GH2_aP60_2_a3i_2i_d_b2i_16i_4i_f_i:Ca-F-Mn-Na-O-Si-Ti-Zr +mp-1215398,Zr3TiMn8,-9.09949759,-0.1966045697,0.0119964665,0.0119964665,GGA,P3m1,A8BC3_hP12_156_2b2d_a_a2c:Mn-Ti-Zr,12.0,A8BC3_hP12_156_2b2d_a_a2c:Mn-Ti-Zr +mp-667200,NaCa2TiSi2O8F,-7.5738658537,-3.2028764012,0.1965503112,0.1965503112,GGA,P1,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti,60.0,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti +mp-647450,NaCa2TiSi2O8F,-7.5773058838,-3.2063164313,0.1931102811,0.1931102811,GGA,P1,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti,60.0,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti +mp-1263670,NaCa2TiSi2O8F,-7.5945345928,-3.2235451403,0.1758815721,0.1758815721,GGA,P1,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti,60.0,A2BCD8E2F_aP60_1_8a_4a_4a_32a_8a_4a:Ca-F-Na-O-Si-Ti +mp-16548,ZrTiF6,-7.1949256987,-3.7059173923,0.0194170143,0.0194170143,GGA,Fm-3m,A6BC_cF32_225_e_a_b:F-Ti-Zr,8.0,A6BC_cF32_225_e_a_b:F-Ti-Zr +mp-1227154,Ca4ZrTi3(SiO5)4,-8.5207740438,-3.4929108392,0.0113175496,0.0113175496,GGA,P-1,A4B20C4D3E_aP32_2_2i_10i_2i_acf_h:Ca-O-Si-Ti-Zr,32.0,"Invalid WP multiplicities - A4B20C4D3E_aP32_2_4i_20i_4i_acf_h:Ca-O-Si-Ti-Zr, expected Ca8ZrTi3(SiO5)8 to be Ca4ZrTi3(SiO5)4" +mp-1227178,Ca4ZrTi3(SiO5)4,-8.5229816281,-3.4951184236,0.0091099653,0.0091099653,GGA,P-1,A4B20C4D3E_aP32_2_2i_10i_2i_bi_e:Ca-O-Si-Ti-Zr,32.0,"Invalid WP multiplicities - A4B20C4D3E_aP32_2_3i_19i_3i_bi_e:Ca-O-Si-Ti-Zr, expected Ca6ZrTi3(Si3O19)2 to be Ca4ZrTi3(SiO5)4" +mp-1210325,Na4Zr2TiMnSi4(O8F)2,-7.9932787153,-3.1894700761,0.0,-0.0040096472,GGA+U,P2/c,A2BC4D16E4FG2_mP60_13_g_e_efg_8g_2g_f_g:F-Mn-Na-O-Si-Ti-Zr,60.0,A2BC4D16E4FG2_mP60_13_g_e_efg_8g_2g_f_g:F-Mn-Na-O-Si-Ti-Zr +mp-15056,NaZr2TiF11,-6.894521842,-3.7385426945,0.0050731552,0.0050731552,GGA,C2/m,A11BCD2_mC30_12_bh2ij_c_a_i:F-Na-Ti-Zr,15.0,A11BCD2_mC30_12_ah2ij_c_b_i:F-Na-Ti-Zr +mp-1211154,Na3Ca4TiSi4(O8F)2,-7.2294917027,-3.0776011409,0.0758216402,0.0758216402,GGA,P2_1,A4B2C3D16E4F_mP60_4_4a_2a_3a_16a_4a_a:Ca-F-Na-O-Si-Ti,60.0,A4B2C3D16E4F_mP60_4_4a_2a_3a_16a_4a_a:Ca-F-Na-O-Si-Ti +mp-1227799,Ca2ZrTi(SiO5)2,-8.5649039944,-3.5166592707,0.014800673,0.014800673,GGA,P-1,A2B10C2DE_aP16_2_i_5i_i_a_b:Ca-O-Si-Ti-Zr,16.0,"Invalid WP multiplicities - A2B10C2DE_aP16_2_i_9i_i_a_b:Ca-O-Si-Ti-Zr, expected Ca2ZrTi(SiO9)2 to be Ca2ZrTi(SiO5)2" +mp-1210416,Na4CaZr2TiSi4(O8F)2,-7.8629761897,-3.2977147308,0.0,-0.0010720892,GGA,P2/c,AB2C4D16E4FG2_mP60_13_e_g_efg_8g_2g_f_g:Ca-F-Na-O-Si-Ti-Zr,60.0,AB2C4D16E4FG2_mP60_13_e_g_efg_8g_2g_f_g:Ca-F-Na-O-Si-Ti-Zr +mp-1215230,ZrTiMn4,-9.0639799842,-0.2154376817,0.0143491554,0.0143491554,GGA,P-3m1,A4BC_hP12_164_abi_d_d:Mn-Ti-Zr,12.0,A4BC_hP12_164_abi_d_d:Mn-Ti-Zr +mp-1220956,Na8Zr3Ti3Mn2Si8(O17F)2,-7.9682542142,-3.0741420603,0.038146295,0.038146295,GGA+U,P1,A2B2C8D34E8F3G3_aP60_1_2a_2a_8a_34a_8a_3a_3a:F-Mn-Na-O-Si-Ti-Zr,60.0,A2B2C8D34E8F3G3_aP60_1_2a_2a_8a_34a_8a_3a_3a:F-Mn-Na-O-Si-Ti-Zr +mp-1210891,Na3Ti2Mn3Si4(O8F)2,-8.0137408522,-2.9498790113,0.016131867,0.016131867,GGA+U,P2_1/c,A2B3C3D16E4F2_mP120_14_2e_3e_3e_16e_4e_2e:F-Mn-Na-O-Si-Ti,120.0,A2B3C3D16E4F2_mP120_14_2e_3e_3e_16e_4e_2e:F-Mn-Na-O-Si-Ti +mp-1210293,NaCaTiMnSi2O8F,-8.0330620678,-3.1849782545,0.0,-0.0003375293,GGA+U,P2_1/c,ABCDE8F2G_mP60_14_e_e_e_e_8e_2e_e:Ca-F-Mn-Na-O-Si-Ti,60.0,ABCDE8F2G_mP60_14_e_e_e_e_8e_2e_e:Ca-F-Mn-Na-O-Si-Ti +mp-1199368,ZnH10C2S2(N4O3)2,-6.0365672169,-0.5783145808,0.3144672857,0.3144672857,GGA,C2/c,A2B10C8D6E2F_mC116_15_f_5f_4f_3f_f_e:C-H-N-O-S-Zn,58.0,A2B10C8D6E2F_mC116_15_f_5f_4f_3f_f_e:C-H-N-O-S-Zn +mp-1198643,ZnH12C3SeS3(N3O2)2,-5.7892146758,-0.6102334057000001,0.1576570595,0.1576570595,GGA,Pca2_1,A3B12C6D4E3FG_oP120_29_3a_12a_6a_4a_3a_a_a:C-H-N-O-S-Se-Zn,120.0,A3B12C6D4E3FG_oP120_29_3a_12a_6a_4a_3a_a_a:C-H-N-O-S-Se-Zn +mp-774708,ZnH12C3S4(N3O2)2,-5.8645996725,-0.6642671228,0.1054674165,0.1054674165,GGA,Pca2_1,A3B12C6D4E4F_oP120_29_3a_12a_6a_4a_4a_a:C-H-N-O-S-Zn,120.0,"Invalid WP multiplicities - A3B12C6D4E4F_oP120_29_9a_45a_21a_13a_10a_a:C-H-N-O-S-Zn, expected ZnH45C9S10N21O13 to be ZnH12C3S4(N3O2)2" +mp-696851,ZnH12C2S2(N3O4)2,-6.1126712303,-1.0063755494,0.0321759455,0.0321759455,GGA,I-42d,A2B12C6D8E2F_tI124_122_d_3e_de_2e_d_a:C-H-N-O-S-Zn,62.0,A2B12C6D8E2F_tI124_122_d_3e_de_2e_d_a:C-H-N-O-S-Zn +mp-734836,ZnH12C6S2(N5O)2,-6.4592902986,-0.4327546771,0.1033217752,0.1033217752,GGA,C2/c,A6B12C10D2E2F_mC132_15_3f_6f_5f_f_f_e:C-H-N-O-S-Zn,66.0,A6B12C10D2E2F_mC132_15_3f_6f_5f_f_f_e:C-H-N-O-S-Zn +mp-1198217,Zn3H24C4Se5(N4O5)3,-5.8234851154000005,-0.8419431307,0.1429966686,0.1429966686,GGA,Pbcm,A4B24C12D15E5F3_oP252_57_2de_12e_2d5e_d7e_d2e_ce:C-H-N-O-Se-Zn,252.0,A4B24C12D15E5F3_oP252_57_2de_12e_2d5e_d7e_d2e_ce:C-H-N-O-Se-Zn +mp-698301,ZnH6C2(SO3)2,-5.5684350738,-0.9786431405,0.319417431,0.319417431,GGA,Cc,A2B6C6D2E_mC68_9_2a_6a_6a_2a_a:C-H-O-S-Zn,34.0,A2B6C6D2E_mC68_9_2a_6a_6a_2a_a:C-H-O-S-Zn +mp-706601,ZnH16C4S4(N5O3)2,-5.6837470509,-0.2679201415,0.4996067282,0.4996067282,GGA,Pccn,A4B16C10D6E4F_oP164_56_2e_8e_5e_3e_2e_c:C-H-N-O-S-Zn,164.0,A4B16C10D6E4F_oP164_56_2e_8e_5e_3e_2e_c:C-H-N-O-S-Zn +mp-1179600,ZnH16C4S4(N5O3)2,-5.7132443252,-0.2974174159,0.4701094538,0.4701094538,GGA,Pccn,A4B16C10D6E4F_oP164_56_2e_8e_5e_3e_2e_c:C-H-N-O-S-Zn,164.0,A4B16C10D6E4F_oP164_56_2e_8e_5e_3e_2e_c:C-H-N-O-S-Zn +mp-1198862,ZnH10C2S3(N3O2)2,-5.8768182133,-0.6514563271,0.1557008965,0.1557008965,GGA,P-1,A2B10C6D4E3F_aP52_2_2i_10i_6i_4i_3i_i:C-H-N-O-S-Zn,52.0,A2B10C6D4E3F_aP52_2_2i_10i_6i_4i_3i_i:C-H-N-O-S-Zn +mp-24759,ZnH20Se2(NO7)2,-5.2980007021,-1.1433155925,0.0801279155,0.0801279155,GGA,P2_1/c,A20B2C14D2E_mP78_14_10e_e_7e_e_a:H-N-O-Se-Zn,78.0,"Invalid WP multiplicities - A20B2C14D2E_mP78_14_14e_e_14e_e_a:H-N-O-Se-Zn, expected ZnH28Se2(NO14)2 to be ZnH20Se2(NO7)2" +mp-1198883,ZnH10C2(Se2N)2,-4.8086514183,-0.371758218,0.0580005926,0.0580005926,GGA,Pna2_1,A2B10C2D4E_oP152_33_4a_20a_4a_8a_2a:C-H-N-Se-Zn,152.0,A2B10C2D4E_oP152_33_4a_20a_4a_8a_2a:C-H-N-Se-Zn +mp-1033898,Mg14CrBO16,-6.4267304391,-2.7428748353,0.2293571687,0.2293571687,GGA+U,Pmmm,ABC14D16_oP32_47_a_b_efjlnpy_cdghikmoz:B-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_oP32_47_a_b_efjl2n2py_cdghik2m2oz:B-Cr-Mg-O, expected Mg18CrBO20 to be Mg14CrBO16" +mp-1033868,Mg14CrBO16,-6.4223917622,-2.7385361584,0.2336958455,0.2336958455,GGA+U,P4/mmm,ABC14D16_tP32_123_a_c_fjmo_bdekln:B-Cr-Mg-O,32.0,"Invalid WP multiplicities - ABC14D16_tP32_123_a_c_fj3m3o_bdek3l3n:B-Cr-Mg-O, expected Mg30CrBO32 to be Mg14CrBO16" +mp-1221204,NaMg3Si4HO12,-7.3464164155,-3.0331960277,2.2603e-05,2.2603e-05,GGA,P2_1,AB3CD12E4_mP84_4_2a_6a_2a_24a_8a:H-Mg-Na-O-Si,84.0,AB3CD12E4_mP84_4_2a_6a_2a_24a_8a:H-Mg-Na-O-Si +mp-1173602,NaMg3Si4HO12,-7.3461921357,-3.0329717479,0.0002468828,0.0002468828,GGA,C2/c,AB3CD12E4_mC168_15_f_a3ef_be_12f_4f:H-Mg-Na-O-Si,84.0,"Invalid WP multiplicities - AB3CD12E4_mC168_15_f_2c6e3f_2d2e_47f_15f:H-Mg-Na-O-Si, expected Na2Mg7Si15HO47 to be NaMg3Si4HO12" +mp-1216398,VCrB2,-8.710192275,-0.6862580046,0.0020678131,0.0020678131,GGA,Amm2,A2BC_oC8_38_ab_a_b:B-Cr-V,4.0,A2BC_oC8_38_ab_a_b:B-Cr-V +mp-1211019,Na3Mg5Si8(HO12)2,-7.2575187839,-2.9509116046,0.0079473311,0.0079473311,GGA,P2_1/m,A2B5C3D24E8_mP84_11_2e_e2f_ef_4e10f_4f:H-Mg-Na-O-Si,84.0,A2B5C3D24E8_mP84_11_2e_e2f_ef_4e10f_4f:H-Mg-Na-O-Si +mp-1221556,Na4MgV10(H11O13)4,-6.1764313332,-1.6337538477,0.0558888586,0.0558888586,GGA+U,P-1,A44BC4D52E10_aP111_2_22i_c_abi_26i_5i:H-Mg-Na-O-V,111.0,A44BC4D52E10_aP111_2_22i_c_abi_26i_5i:H-Mg-Na-O-V +mp-771269,Na3CrSiBO7,-7.1457355542,-2.5032621596,0.0499156838,0.0499156838,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Na-O-Si,26.0,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Cr-Na-O-Si +mp-1216493,V3Cr3B8,-8.4966108779,-0.6647541074000001,0.0055727116,0.0055727116,GGA,Pmm2,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Cr-V,14.0,A8B3C3_oP14_25_2a2b2c2d_a2d_abc:B-Cr-V +mp-1210338,NaMg3Si3HO10,-7.0818642431,-2.9008124269,0.0895654234,0.0895654234,GGA,P-1,AB3CD10E3_aP72_2_2i_6i_bei_20i_6i:H-Mg-Na-O-Si,72.0,AB3CD10E3_aP72_2_2i_6i_bei_20i_6i:H-Mg-Na-O-Si +mp-1233229,MgV12(BO5)4,-8.7226234416,-2.3372587336,0.1398597669,0.1398597669,GGA+U,Pm,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V,37.0,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V +mp-1233792,MgV12(BO5)4,-8.6962104292,-2.3108457211,0.1662727794,0.1662727794,GGA+U,Pm,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V,37.0,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V +mp-1234588,MgV12(BO5)4,-8.7042916189,-2.3189269109,0.1581915896,0.1581915896,GGA+U,Pm,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V,37.0,A4BC20D12_mP37_6_4a_b_12a8b_6a6b:B-Mg-O-V +mp-1234667,MgV12(BO5)4,-8.7088620778,-2.3234973698,0.1536211307,0.1536211307,GGA+U,Pm,A4BC20D12_mP37_6_4a_a_12a8b_6a6b:B-Mg-O-V,37.0,A4BC20D12_mP37_6_4a_a_12a8b_6a6b:B-Mg-O-V +mp-1038513,Mg30CrBO32,-6.3765502236,-2.8978802314000003,0.1152559203,0.1152559203,GGA+U,P4/mmm,ABC30D32_tP64_123_a_b_cdefjkst_ghilmnor:B-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_b_cd2e2f4j4k3s3t_ghi4l4m4n4or:B-Cr-Mg-O, expected Mg90CrBO80 to be Mg30CrBO32" +mp-1038543,Mg30CrBO32,-6.3704158591,-2.8917458669,0.1213902848,0.1213902848,GGA+U,P4/mmm,ABC30D32_tP64_123_a_c_bdefjkst_ghilmnor:B-Cr-Mg-O,64.0,"Invalid WP multiplicities - ABC30D32_tP64_123_a_c_bdefjk6s6t_2g2h2i3l3m3n3or:B-Cr-Mg-O, expected Mg110CrBO72 to be Mg30CrBO32" +mp-1216481,V3Cr3Si2,-8.824710345,-0.44202326,0.0,-0.0579677538,GGA,R32,A3B2C3_hR24_155_d_c_e:Cr-Si-V,8.0,A3B2C3_hR24_155_d_c_e:Cr-Si-V +mp-1216382,VCrSi,-8.2557252083,-0.201634685,0.2460743356,0.2460743356,GGA,Amm2,ABC_oC24_38_cd_abe_2c:Cr-Si-V,12.0,"Invalid WP multiplicities - ABC_oC24_38_cd_abe_3c:Cr-Si-V, expected V3(CrSi)2 to be VCrSi" +mp-1221086,NaMg3V3Cr3Si6B3H3O31,-8.0398415108,-2.7860709874,0.0,-0.0045098937,GGA+U,P1,A3B3C3D3EF31G6H3_aP53_1_3a_3a_3a_3a_a_31a_6a_3a:B-Cr-H-Mg-Na-O-Si-V,53.0,A3B3C3D3EF31G6H3_aP53_1_3a_3a_3a_3a_a_31a_6a_3a:B-Cr-H-Mg-Na-O-Si-V +mp-1221605,Na3Mg5Si8(HO8)3,-7.2198274794,-2.9344733497,0.0015791656,0.0015791656,GGA,P1,A3B5C3D24E8_aP129_1_9a_15a_9a_72a_24a:H-Mg-Na-O-Si,129.0,A3B5C3D24E8_aP129_1_9a_15a_9a_72a_24a:H-Mg-Na-O-Si +mp-1033299,Mg6CrBO8,-6.5283619612,-2.4341351343,0.4562885742,0.4562885742,GGA+U,P4/mmm,ABC6D8_tP16_123_a_c_bdi_efgh:B-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_c_bdi_2e2fgh:B-Cr-Mg-O, expected Mg6CrBO12 to be Mg6CrBO8" +mp-1099233,Mg6CrBO8,-6.6115564294,-2.5173296024000003,0.3730941061,0.3730941061,GGA+U,P4/mmm,ABC6D8_tP16_123_a_b_cdi_efgh:B-Cr-Mg-O,16.0,"Invalid WP multiplicities - ABC6D8_tP16_123_a_b_cdi_2e2fgh:B-Cr-Mg-O, expected Mg6CrBO12 to be Mg6CrBO8" +mp-1216375,VCrB4,-8.1128290617,-0.5370756244,0.0358493725,0.0358493725,GGA,P6/mmm,A4BC_hP6_191_h_a_b:B-Cr-V,6.0,A4BC_hP6_191_h_a_b:B-Cr-V +mp-1216445,V9Cr3B8,-8.910467201,-0.7029956407,0.0,-0.0140107868,GGA,P2/m,A8B3C9_mP20_10_4m_am_c4n:B-Cr-V,20.0,"Invalid WP multiplicities - A8B3C9_mP20_10_8m_am_c8n:B-Cr-V, expected V17Cr3B16 to be V9Cr3B8" +mp-771154,Na3VSiBO7,-7.2177884223,-2.6190951354000003,0.0257282599,0.0257282599,GGA+U,P2_1/m,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-Si-V,52.0,AB3C7DE_mP26_11_e_ef_5ef_e_e:B-Na-O-Si-V +mp-1216681,V2(CrSi)3,-8.327347325,-0.401983745,0.0148245546,0.0148245546,GGA,Ibam,A3B3C2_oI32_72_aj_bj_j:Cr-Si-V,16.0,A3B3C2_oI32_72_aj_bj_j:Cr-Si-V +mp-1216378,VCrSi4,-7.1026748694,-0.3629705928,0.0178437217,0.0178437217,GGA,P2,AB4C_mP18_3_2bc_6e_2ac:Cr-Si-V,18.0,"Invalid WP multiplicities - AB4C_mP18_3_a2b_12e_a2c:Cr-Si-V, expected VCrSi8 to be VCrSi4" +mp-1216563,V(CrSi3)2,-7.1150253078,-0.3437020644,0.0184767941,0.0184767941,GGA,C222,A2B6C_oC18_21_k_el_a:Cr-Si-V,9.0,"Invalid WP multiplicities - A2B6C_oC18_21_k_2e2l_a:Cr-Si-V, expected V(CrSi6)2 to be V(CrSi3)2" +mp-2228859,Na3MgVH6O7,-5.5569972717,-1.6883895356,0.1340222229,0.1340222229,GGA+U,P1,A6BC3D7E_aP18_1_6a_a_3a_7a_a:H-Mg-Na-O-V,18.0,A6BC3D7E_aP18_1_6a_a_3a_7a_a:H-Mg-Na-O-V +mp-698046,Na3VSi4(HO6)2,-7.2907475455,-2.7044534229,0.0,-0.0016406931,GGA+U,P-1,A2B3C12D4E_aP44_2_2i_3i_12i_4i_ae:H-Na-O-Si-V,44.0,A2B3C12D4E_aP44_2_2i_3i_12i_4i_ae:H-Na-O-Si-V +mp-1204868,NaCaMn2P3(HO6)2,-7.5261378464,-2.5719578511,0.0,-0.0079059325,GGA+U,C2/c,AB2C2DE12F3_mC84_15_e_f_f_e_6f_ef:Ca-H-Mn-Na-O-P,42.0,AB2C2DE12F3_mC84_15_e_f_f_e_6f_ef:Ca-H-Mn-Na-O-P +mp-1210199,NaCaAlPHO5F2,-6.7848391408,-3.0818282203,0.0,-0.0047512296,GGA,P2_1/m,ABC2DEF5G_mP24_11_a_d_f_e_e_3ef_e:Al-Ca-F-H-Na-O-P,24.0,ABC2DEF5G_mP24_11_a_c_f_e_e_3ef_e:Al-Ca-F-H-Na-O-P +mp-1205264,Na7Mn5P3H6O15F13,-6.3623518881,-2.4702381218,0.0,-0.0001564366,GGA+U,C2/c,A13B6C5D7E15F3_mC392_15_13f_6f_5f_a3e5f_15f_3f:F-H-Mn-Na-O-P,196.0,"Invalid WP multiplicities - A13B6C5D7E15F3_mC392_15_49f_24f_14f_c5e16f_60f_12f:F-H-Mn-Na-O-P, expected Na19Mn14P12H24O60F49 to be Na7Mn5P3H6O15F13" +mp-1221604,Na2CaMnAl2P2H2(O5F2)2,-6.9368577746,-2.9356628786,0.0,-0.0008237785,GGA+U,P-1,A2BC4D2EF2G10H2_aP24_2_ab_e_2i_i_h_i_5i_i:Al-Ca-F-H-Mn-Na-O-P,48.0,"Invalid WP multiplicities - A2BC4D2EF2G10H2_aP24_2_ab_e_4i_i_h_i_7i_i:Al-Ca-F-H-Mn-Na-O-P, expected Na2CaMnAl2P2H2(O7F4)2 to be Na2CaMnAl2P2H2(O5F2)2" +mp-1204548,Ca4Al2P2H10O13F8,-6.3196708819000005,-2.7333580196,0.0200258004,0.0200258004,GGA,P-1,A2B4C8D10E13F2_aP78_2_2i_4i_8i_10i_13i_2i:Al-Ca-F-H-O-P,78.0,A2B4C8D10E13F2_aP78_2_2i_4i_8i_10i_13i_2i:Al-Ca-F-H-O-P +mp-721347,CaPH4O5F,-6.2280566558,-2.2584958983,0.042055353,0.042055353,GGA,P-1,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P,24.0,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P +mp-733994,CaPH4O5F,-2.1866036804,1.7829570771,4.0835083284,4.0835083284,GGA,P-1,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P,24.0,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P +mp-1417095,CaPH4O5F,-4.4728166246,-0.503255867,1.7972953843,1.7972953843,GGA,P-1,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P,24.0,ABC4D5E_aP24_2_i_i_4i_5i_i:Ca-F-H-O-P +mp-1201658,MnAl2P2H10O13F2,-6.498038821,-2.1801407011,0.009244134,0.009244134,GGA+U,P-1,A2B2C10DE13F2_aP60_2_aei_2i_10i_i_13i_2i:Al-F-H-Mn-O-P,60.0,A2B2C10DE13F2_aP60_2_aei_2i_10i_i_13i_2i:Al-F-H-Mn-O-P +mp-1228737,Ca14MnP9(O12F)3,-7.6437674149,-3.3616187375,0.0046350729,0.0046350729,GGA+U,P3,A14B3CD36E9_hP126_143_4a6b6d_6c_2a_24d_6d:Ca-F-Mn-O-P,126.0,"Invalid WP multiplicities - A14B3CD36E9_hP126_143_4a6b18d_6c_2a_72d_18d:Ca-F-Mn-O-P, expected Ca32MnP27(O36F)3 to be Ca14MnP9(O12F)3" +mp-1191084,Na2MnPHO3F4,-6.2253530646,-2.6337633617,0.0339092927,0.0339092927,GGA+U,P2_1/m,A4BCD2E3F_mP24_11_2ef_e_a_de_ef_e:F-H-Mn-Na-O-P,24.0,A4BCD2E3F_mP24_11_2ef_e_a_ce_ef_e:F-H-Mn-Na-O-P +mp-697278,NaCaAlH2OF6,-5.6975177373,-3.1746247698,0.0214044768,0.0214044768,GGA,P2_1/c,ABC6D2EF_mP48_14_e_e_6e_2e_e_e:Al-Ca-F-H-Na-O,48.0,ABC6D2EF_mP48_14_e_e_6e_2e_e_e:Al-Ca-F-H-Na-O +mp-722997,NaCaAlH2OF6,-5.6968573171,-3.1739643496,0.022064897,0.022064897,GGA,C2/c,ABC6D2EF_mC96_15_f_2e_6f_2f_f_f:Al-Ca-F-H-Na-O,48.0,"Invalid WP multiplicities - ABC6D2EF_mC96_15_f_2e_12f_4f_f_f:Al-Ca-F-H-Na-O, expected NaCaAlH4OF12 to be NaCaAlH2OF6" +mp-16553,NaCa9Mn(PO4)7,-7.6801300626,-3.2250139546,0.0,-0.0122557062,GGA+U,R3c,A9BCD28E7_hR276_161_3b_a_a_a9b_a2b:Ca-Mn-Na-O-P,92.0,"Invalid WP multiplicities - A9BCD28E7_hR276_161_8b_a_a_a12b_a6b:Ca-Mn-Na-O-P, expected NaCa24MnP19O37 to be NaCa9Mn(PO4)7" +mp-707176,NaCa2Al2P2H5O11F4,-6.618778505,-2.816015407,0.0016512159,0.0016512159,GGA,P2_1/m,A2B2C4D5EF11G2_mP54_11_f_f_2f_e2f_e_5e3f_2e:Al-Ca-F-H-Na-O-P,54.0,A2B2C4D5EF11G2_mP54_11_f_f_2f_e2f_e_5e3f_2e:Al-Ca-F-H-Na-O-P +mp-694981,Na4Al3Si3B(HO3)4,-6.7378682493,-2.5744110922,0.0,-0.0259803726,GGA,P-43n,A3BC4D4E12F3_cP54_218_c_a_e_e_i_d:Al-B-H-Na-O-Si,54.0,A3BC4D4E12F3_cP54_218_c_a_e_e_i_d:Al-B-H-Na-O-Si +mp-534773,Na2Al17Si11B7(H3O31)2,-7.8313670478,-3.071318126,0.0191168872,0.0191168872,GGA,P1,A17B7C6D2E62F11_aP105_1_17a_7a_6a_2a_62a_11a:Al-B-H-Na-O-Si,105.0,A17B7C6D2E62F11_aP105_1_17a_7a_6a_2a_62a_11a:Al-B-H-Na-O-Si +mp-1210493,NaFe9Si6B3H3O31,-7.9050269134,-2.364115067,0.0126769726,0.0126769726,GGA+U,R3m,A3B9C3DE31F6_hR159_160_b_bc_b_a_a4b3c_c:B-Fe-H-Na-O-Si,53.0,A3B9C3DE31F6_hR159_160_b_bc_b_a_a4b3c_c:B-Fe-H-Na-O-Si +mp-1121875,NaFe9Si6B3H2O31,-7.9818577729,-2.3996346611,0.0069714642,0.0069714642,GGA+U,P1,A3B9C2DE31F6_aP52_1_3a_9a_2a_a_31a_6a:B-Fe-H-Na-O-Si,52.0,A3B9C2DE31F6_aP52_1_3a_9a_2a_a_31a_6a:B-Fe-H-Na-O-Si +mp-721034,NaFe9Si6B3H2O31,-7.9771237537,-2.3949006418,0.0117054835,0.0117054835,GGA+U,Cm,A3B9C2DE31F6_mC104_8_ab_a4b_b_a_5a13b_3b:B-Fe-H-Na-O-Si,52.0,"Invalid WP multiplicities - A3B9C2DE31F6_mC104_8_a2b_a8b_b_a_5a26b_6b:B-Fe-H-Na-O-Si, expected NaFe17Si12B5H2O57 to be NaFe9Si6B3H2O31" +mp-771318,Na3FeSiBO7,-6.9073409004,-2.3558695258,0.0227421512,0.0227421512,GGA+U,P2_1/m,ABC3D7E_mP26_11_e_e_ef_5ef_e:B-Fe-Na-O-Si,26.0,"Invalid WP multiplicities - ABC3D7E_mP26_11_e_e_2ef_9e2f_e:B-Fe-Na-O-Si, expected Na4FeSiBO13 to be Na3FeSiBO7" +mp-818418,NaAl6Fe3Si6B3O31,-8.0559701572,-2.9531006083,0.0351925898,0.0351925898,GGA+U,R3m,A6B3C3DE31F6_hR150_160_c_b_b_a_a4b3c_c:Al-B-Fe-Na-O-Si,50.0,A6B3C3DE31F6_hR150_160_c_b_b_a_a4b3c_c:Al-B-Fe-Na-O-Si +mp-699582,Na2AlFeF7,-5.7928023403,-3.2254386677,0.0111937052,0.0111937052,GGA+U,C2/c,AB7CD2_mC176_15_cef_14f_2f_abde2f:Al-F-Fe-Na,88.0,"Invalid WP multiplicities - AB7CD2_mC176_15_ae2f_51f_6f_2b2c2d2e8f:Al-F-Fe-Na, expected Na4AlFe2F17 to be Na2AlFeF7" +mp-863003,NaAl6Fe3Si6B3H3O30F,-7.8417799851,-2.8929791203,0.0084026208,0.0084026208,GGA+U,R3m,A6B3CD3E3FG30H6_hR159_160_c_b_a_b_b_a_4b3c_c:Al-B-F-Fe-H-Na-O-Si,53.0,A6B3CD3E3FG30H6_hR159_160_c_b_a_b_b_a_4b3c_c:Al-B-F-Fe-H-Na-O-Si +mp-18401,NaAl6Fe3Si6B3O30F,-8.0463116762,-3.0041463222,0.0197334988,0.0197334988,GGA+U,R3m,A6B3CD3EF30G6_hR150_160_c_b_a_b_a_4b3c_c:Al-B-F-Fe-Na-O-Si,50.0,"Invalid WP multiplicities - A6B3CD3EF30G6_hR150_160_c_b_a_b_a_4b4c_c:Al-B-F-Fe-Na-O-Si, expected NaAl6Fe3Si6B3O36F to be NaAl6Fe3Si6B3O30F" +mp-1173755,Na4Al3Si3B(O3F)4,-6.9374509269,-2.9934377813,0.2171293818,0.2171293818,GGA,P1,A3BC4D4E12F3_aP54_1_6a_2a_8a_8a_24a_6a:Al-B-F-Na-O-Si,54.0,A3BC4D4E12F3_aP54_1_6a_2a_8a_8a_24a_6a:Al-B-F-Na-O-Si +mp-1221055,NaMg2Al6VSi6B3H3O31,-7.8013589738,-3.0429427828,0.0069103374,0.0069103374,GGA+U,Cm,A6B3C3D2EF31G6H_mC106_8_3b_ab_ab_b_a_5a13b_3b_a:Al-B-H-Mg-Na-O-Si-V,53.0,"Invalid WP multiplicities - A6B3C3D2EF31G6H_mC106_8_6b_a2b_ab_b_a_5a24b_6b_a:Al-B-H-Mg-Na-O-Si-V, expected NaMg2Al12VSi12B5H3O53 to be NaMg2Al6VSi6B3H3O31" +mp-1221241,NaMg6Al3Si6(BO10)3,-7.4030823473,-2.8489664716,0.1881088629,0.1881088629,GGA,R3,A3B3C6DE30F6_hR147_146_b_b_2b_a_10b_2b:Al-B-Mg-Na-O-Si,49.0,A3B3C6DE30F6_hR147_146_b_b_2b_a_10b_2b:Al-B-Mg-Na-O-Si +mp-728227,NaMg3Al6Si6B3O31,-7.7287715258,-3.0380864465,0.0860488113,0.0860488113,GGA,R3m,A6B3C3DE31F6_hR150_160_c_b_b_a_a4b3c_c:Al-B-Mg-Na-O-Si,50.0,A6B3C3DE31F6_hR150_160_c_b_b_a_a4b3c_c:Al-B-Mg-Na-O-Si +mp-1221236,Na4Mg11AlSi12(HO10)4,-7.1597808975,-2.9489333066,0.051140865,0.051140865,GGA,P1,AB4C11D4E40F12_aP72_1_a_4a_11a_4a_40a_12a:Al-H-Mg-Na-O-Si,72.0,AB4C11D4E40F12_aP72_1_a_4a_11a_4a_40a_12a:Al-H-Mg-Na-O-Si +mp-1033116,Mg6AlVO8,-6.6184231381,-2.743131145,0.2285497682,0.2285497682,GGA+U,P4/mmm,AB6C8D_tP16_123_a_bdi_efgh_c:Al-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_bdi_2e2fgh_c:Al-Mg-O-V, expected Mg6AlVO12 to be Mg6AlVO8" +mp-1033159,Mg6AlVO8,-6.6303568725,-2.7550648794,0.2166160339,0.2166160339,GGA+U,P4/mmm,AB6C8D_tP16_123_a_cdi_efgh_b:Al-Mg-O-V,16.0,"Invalid WP multiplicities - AB6C8D_tP16_123_a_cdi_2e2fgh_b:Al-Mg-O-V, expected Mg6AlVO12 to be Mg6AlVO8" +mp-1036641,Mg14AlVO16,-6.4832260031,-2.9088378163,0.1040227901,0.1040227901,GGA+U,Pmmm,AB14C16D_oP32_47_a_bfjlnpy_cdghikmoz_e:Al-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_oP32_47_a_bf2j2lnpy_cdgh2i2kmoz_e:Al-Mg-O-V, expected Mg18AlVO20 to be Mg14AlVO16" +mp-1036617,Mg14AlVO16,-6.4816374538,-2.9072492669,0.1056113394,0.1056113394,GGA+U,P4/mmm,AB14C16D_tP32_123_a_fjmo_bdekln_c:Al-Mg-O-V,32.0,"Invalid WP multiplicities - AB14C16D_tP32_123_a_fj3m3o_bdek3l3n_c:Al-Mg-O-V, expected Mg30AlVO32 to be Mg14AlVO16" +mp-1094103,NaMgAl3Si8(HO6)4,-7.5910261366,-2.9604527141,0.0269100889,0.0269100889,GGA,P1,A3B4CDE24F8_aP41_1_3a_4a_a_a_24a_8a:Al-H-Mg-Na-O-Si,41.0,A3B4CDE24F8_aP41_1_3a_4a_a_a_24a_8a:Al-H-Mg-Na-O-Si +mp-1038339,Mg30AlVO32,-6.4095478897,-2.9856116059,0.0478388469,0.0478388469,GGA+U,P4/mmm,AB30C32D_tP64_123_a_bdefjkst_ghilmnor_c:Al-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_bdefjk6s6t_2g2h2i3l3m3n3or_c:Al-Mg-O-V, expected Mg110AlVO72 to be Mg30AlVO32" +mp-1038408,Mg30AlVO32,-6.4095469241,-2.9856106403,0.0478398125,0.0478398125,GGA+U,P4/mmm,AB30C32D_tP64_123_a_cdefjkst_ghilmnor_b:Al-Mg-O-V,64.0,"Invalid WP multiplicities - AB30C32D_tP64_123_a_cd2e2f4j4k3s3t_ghi4l4m4n4or_b:Al-Mg-O-V, expected Mg90AlVO80 to be Mg30AlVO32" +mp-557968,Ba2Ti2Si2O9F2,-8.1963479623,-3.5597170029000003,0.0013872937,0.0013872937,GGA,Pbca,A2B2C9D2E2_oP136_61_2c_2c_9c_2c_2c:Ba-F-O-Si-Ti,136.0,"Invalid WP multiplicities - A2B2C9D2E2_oP136_61_8c_11c_66c_8c_10c:Ba-F-O-Si-Ti, expected Ba8Ti10Si8(O6F)11 to be Ba2Ti2Si2O9F2" +mp-1215092,BaNaTiF6,-6.1981673089,-3.6864044139,0.0040113189,0.0040113189,GGA,Pna2_1,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Na-Ti,72.0,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Na-Ti +mp-505405,TiMnH12(OF)6,-5.7608400956,-1.9562544832,0.0,-0.0103234742,GGA+U,R-3,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Mn-O-Ti,104.0,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Mn-O-Ti +mp-866804,TiMnH12(OF)6,-5.7530030038,-1.9484173915,0.0078370917,-0.0024863824,GGA+U,R-3,A6B12CD6E_hR78_148_f_2f_a_f_b:F-H-Mn-O-Ti,26.0,"Invalid WP multiplicities - A6B12CD6E_hR78_148_f_4f_a_f_b:F-H-Mn-O-Ti, expected TiMnH24(OF)6 to be TiMnH12(OF)6" +mp-1228567,Ba2NaMn3F11,-6.5401498741,-3.382926951,0.0076925859,0.0076925859,GGA+U,R3c,A2B11C3D_hR102_161_2a_2a3b_b_a:Ba-F-Mn-Na,34.0,A2B11C3D_hR102_161_2a_2a3b_b_a:Ba-F-Mn-Na +mp-1096158,TiMn2Re,-5.8831449325000005,3.782867514,4.0117225008,4.0117225008,GGA,Immm,A2BC_oI8_71_e_a_b:Mn-Re-Ti,4.0,A2BC_oI8_71_e_a_b:Mn-Re-Ti +mp-1197574,Ba3NaMn4Si6O22F,-7.8103581581,-2.7558162641,0.1596682515,0.1596682515,GGA+U,Pnma,A3BC4DE22F6_oP148_62_cd_c_2d_c_4c9d_2c2d:Ba-F-Mn-Na-O-Si,148.0,A3BC4DE22F6_oP148_62_cd_c_2d_c_4c9d_2c2d:Ba-F-Mn-Na-O-Si +mp-1181030,MnSiH12(OF)6,-5.615775854,-1.9061969334,0.0012656279,0.0012656279,GGA+U,P-3,A6B12CD6E_hP78_147_3g_6g_ad_3g_bd:F-H-Mn-O-Si,78.0,A6B12CD6E_hP78_147_3g_6g_ad_3g_bd:F-H-Mn-O-Si +mp-20813,Ba2MnReO6,-8.15144151,-2.6389790475,0.0,-0.0493523045,GGA+U,Fm-3m,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Re,10.0,A2BC6D_cF40_225_c_a_e_b:Ba-Mn-O-Re +mp-972396,Ti2MnRe,-9.648959095,-0.2995774674,0.0228985784,0.0228985784,GGA,Fm-3m,ABC2_cF16_225_a_b_c:Mn-Re-Ti,4.0,ABC2_cF16_225_a_b_c:Mn-Re-Ti +mp-1215061,Ba2NaTi2MnRe2Si8HO26F,-8.0799529285,-2.7998805509,0.2399785962,0.2399785962,GGA+U,Ama2,A2BCDEF26G2H8I2_oC176_40_2b_a_b_a_a_2b12c_c_4c_c:Ba-F-H-Mn-Na-O-Re-Si-Ti,88.0,A2BCDEF26G2H8I2_oC176_40_2b_a_b_a_a_2b12c_c_4c_c:Ba-F-H-Mn-Na-O-Re-Si-Ti +mp-1095145,TiReSi,-9.30198871,-0.7135429661,0.0,-0.1961055141,GGA,P-62m,ABC_hP9_189_f_bc_g:Re-Si-Ti,9.0,ABC_hP9_189_f_bc_g:Re-Si-Ti +mp-1199187,ZnH12C2S2N4(ClO2)2,-5.305482772,-0.6561311152,0.2901464625,0.2901464625,GGA,Pmn2_1,A2B2C12D4E4F2G_oP54_31_b_2a_6b_2b_2b_b_a:C-Cl-H-N-O-S-Zn,54.0,A2B2C12D4E4F2G_oP54_31_b_2a_6b_2b_2b_b_a:C-Cl-H-N-O-S-Zn +mp-1173807,NaCaTiFe3O8,-7.8001862368,-2.3568154861,0.0386676652,0.0386676652,GGA+U,Pmn2_1,AB3CD8E_oP28_31_a_3a_a_8a_a:Ca-Fe-Na-O-Ti,28.0,"Invalid WP multiplicities - AB3CD8E_oP28_31_a_4a_a_12a_a:Ca-Fe-Na-O-Ti, expected NaCaTi(FeO3)4 to be NaCaTiFe3O8" +mp-40677,KBa4Ti5O14F,-8.1963240076,-3.419168819,0.0430829609,0.0430829609,GGA,P4/mmm,A4BCD14E5_tP25_123_2h_a_c_e2g2i_b2g:Ba-F-K-O-Ti,25.0,"Invalid WP multiplicities - A4BCD14E5_tP25_123_3h_a_c_2e3g6i_b2g:Ba-F-K-O-Ti, expected KBa6Ti5O34F to be KBa4Ti5O14F" +mp-554149,BaNaFe2F9,-5.9649245223000005,-3.0891665715,0.0020432381,0.0020432381,GGA+U,P2_1/c,AB9C2D_mP52_14_e_9e_2e_e:Ba-F-Fe-Na,52.0,"Invalid WP multiplicities - AB9C2D_mP52_14_e_9e_5e_e:Ba-F-Fe-Na, expected BaNaFe5F9 to be BaNaFe2F9" +mp-1214635,BaNaFeF6,-5.8532622172,-3.2776627452,0.0,-0.006241705,GGA+U,Pna2_1,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Fe-Na,72.0,AB6CD_oP72_33_2a_12a_2a_2a:Ba-F-Fe-Na +mp-1212124,KCaFe2F9,-5.9641708672,-3.0980668707,0.0070401934,0.0070401934,GGA+U,C222_1,AB9C2D_oC156_20_bc_a13c_3c_ac:Ca-F-Fe-K,78.0,AB9C2D_oC156_20_bc_a13c_3c_ac:Ca-F-Fe-K +mp-1223630,KBaNa2Ti3Fe(Si2O9)2,-8.0397460283,-3.0873263398,0.0049158291,0.0049158291,GGA+U,P1,ABCD2E18F4G3_aP30_1_a_a_a_2a_18a_4a_3a:Ba-Fe-K-Na-O-Si-Ti,30.0,ABCD2E18F4G3_aP30_1_a_a_a_2a_18a_4a_3a:Ba-Fe-K-Na-O-Si-Ti +mp-1227924,BaNa2Fe4F12,-6.1237980568,-2.8931739528,0.0262887529,0.0262887529,GGA+U,Cm,AB12C4D2_mC38_8_a_4a4b_2b_2a:Ba-F-Fe-Na,19.0,"Invalid WP multiplicities - AB12C4D2_mC38_8_a_4a7b_3b_2a:Ba-F-Fe-Na, expected BaNa2Fe6F18 to be BaNa2Fe4F12" +mp-1173821,Na3CaTi3Fe5O16,-7.5802987282,-2.1818423982,0.299727097,0.299727097,GGA+U,Pm,AB5C3D16E3_mP28_6_a_3a2b_a2b_8a8b_a2b:Ca-Fe-Na-O-Ti,28.0,AB5C3D16E3_mP28_6_a_3a2b_a2b_8a8b_a2b:Ca-Fe-Na-O-Ti +mp-39699,K3Ba7Ti10(O9F)3,-8.0837133648,-3.3834338909,0.063443597,0.063443597,GGA,P4mm,A7B3C3D27E10_tP50_99_7b_3a_3b_7a10c_10a:Ba-F-K-O-Ti,50.0,"Invalid WP multiplicities - A7B3C3D27E10_tP50_99_7b_3a_3b_7a20c_10a:Ba-F-K-O-Ti, expected K3Ba7Ti10O47F3 to be K3Ba7Ti10(O9F)3" +mp-1213447,KBaNaCaTi4Fe8Si8(O19F)2,-7.8117260966,-2.4851743777,0.3566492358,0.3566492358,GGA+U,P2/m,ABC2D8EFG38H8I4_mP64_10_a_c_m_mno_h_e_bdfg2m3n6o_2o_mn:Ba-Ca-F-Fe-K-Na-O-Si-Ti,64.0,ABC2D8EFG38H8I4_mP64_10_a_g_m_mno_e_f_bcdh2m3n6o_2o_mn:Ba-Ca-F-Fe-K-Na-O-Si-Ti +mp-770546,Li2Mn2P2O7F2,-7.4042867268,-2.6430693772,0.0965983207,0.0965983207,GGA+U,Pbcn,A2B2C2D7E2_oP60_60_d_d_ac_c3d_d:F-Li-Mn-O-P,60.0,"Invalid WP multiplicities - A2B2C2D7E2_oP60_60_d_d_2a2c_4c9d_d:F-Li-Mn-O-P, expected LiMn2PO11F to be Li2Mn2P2O7F2" +mp-758807,Li5MnP2(O4F)2,-6.7542537396,-2.7026036139,0.0412513284,0.0412513284,GGA+U,P3,A2B5CD8E2_hP54_143_2d_2a2b2c3d_d_8d_2d:F-Li-Mn-O-P,54.0,"Invalid WP multiplicities - A2B5CD8E2_hP54_143_5d_2a2b2c6d_d_22d_4d:F-Li-Mn-O-P, expected Li8MnP4O22F5 to be Li5MnP2(O4F)2" +mp-758947,Li7Mn7P6(O8F)3,-7.5977833664,-2.6098823425,0.075188661,0.075188661,GGA+U,P6_3,A3B7C7D24E6_hP94_173_c_a2c_b2c_8c_2c:F-Li-Mn-O-P,94.0,"Invalid WP multiplicities - A3B7C7D24E6_hP94_173_c_a10c_b8c_37c_5c:F-Li-Mn-O-P, expected Li31Mn25P15(O37F)3 to be Li7Mn7P6(O8F)3" +mp-758877,Li7Mn7P6(O8F)3,-7.6404164221,-2.6525153982000003,0.0325556053,0.0325556053,GGA+U,P6_3,A3B7C7D24E6_hP94_173_c_b2c_a2c_8c_2c:F-Li-Mn-O-P,94.0,"Invalid WP multiplicities - A3B7C7D24E6_hP94_173_c_b8c_a10c_37c_5c:F-Li-Mn-O-P, expected Li25Mn31P15(O37F)3 to be Li7Mn7P6(O8F)3" +mp-758227,Li7MnP4O14F,-6.9471965748,-2.6752407855,0.0684300711,0.0684300711,GGA+U,Cc,AB7CD14E4_mC108_9_a_7a_a_14a_4a:F-Li-Mn-O-P,54.0,"Invalid WP multiplicities - AB7CD14E4_mC108_9_a_12a_a_26a_4a:F-Li-Mn-O-P, expected Li12MnP4O26F to be Li7MnP4O14F" +mp-759154,Li5Mn4P4O16F,-7.5569650593,-2.5934855968,0.0780445527,0.0780445527,GGA+U,I-4,AB5C4D16E4_tI60_82_a_bg_g_4g_g:F-Li-Mn-O-P,30.0,"Invalid WP multiplicities - AB5C4D16E4_tI60_82_a_bg_g_11g_g:F-Li-Mn-O-P, expected Li5Mn4P4O44F to be Li5Mn4P4O16F" +mp-1199210,Li3MnP2(O3F2)2,-6.7441153817,-2.8040255665,0.0,-0.0110909101,GGA+U,P2_1/c,A4B3CD6E2_mP32_14_2e_ae_b_3e_e:F-Li-Mn-O-P,64.0,A4B3CD6E2_mP32_14_2e_ae_b_3e_e:F-Li-Mn-O-P +mp-776483,Li2MnPO4F,-7.1394308131,-2.6848311081,0.0704617267,0.0704617267,GGA+U,P1,AB2CD4E_aP36_1_4a_8a_4a_16a_4a:F-Li-Mn-O-P,36.0,AB2CD4E_aP36_1_4a_8a_4a_16a_4a:F-Li-Mn-O-P +mp-25395,Li2MnPO4F,-7.1620108294,-2.7074111245,0.0478817103,0.0478817103,GGA+U,P1,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Mn-O-P,18.0,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Mn-O-P +mp-1172968,Li2MnPO4F,-7.1443351861,-2.6897354812,0.0655573536,0.0655573536,GGA+U,P1,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Mn-O-P,18.0,AB2CD4E_aP18_1_2a_4a_2a_8a_2a:F-Li-Mn-O-P +mp-771918,Li2MnPO4F,-7.1804572832,-2.7258575782000003,0.0294352565,0.0294352565,GGA+U,P2_1/c,AB2CD4E_mP72_14_2e_4e_2e_8e_2e:F-Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB2CD4E_mP72_14_3e_11e_3e_29e_5e:F-Li-Mn-O-P, expected Li11Mn3P5O29F3 to be Li2MnPO4F" +mp-759220,Li2MnPO4F,-7.1685723336,-2.7139726287,0.0413202061,0.0413202061,GGA+U,Pbcn,AB2CD4E_oP72_60_2c_2d_d_4d_d:F-Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB2CD4E_oP72_60_6c_5d_d_13d_d:F-Li-Mn-O-P, expected Li5MnPO13F3 to be Li2MnPO4F" +mp-776063,Li2MnPO4F,-7.182733765,-2.72813406,0.0271587747,0.0271587747,GGA+U,Pnma,AB2CD4E_oP72_62_2c_2cd_ab_4c2d_2c:F-Li-Mn-O-P,72.0,"Invalid WP multiplicities - AB2CD4E_oP72_62_5c_7c2d_2a2b_13c8d_5c:F-Li-Mn-O-P, expected Li11Mn4P5O29F5 to be Li2MnPO4F" +mp-1290947,Li3Mn2P2O8F3,-7.0754073311,-2.6206656206,0.0671537917,0.0671537917,GGA+U,Cm,A3B3C2D8E2_mC36_8_3a_ab_2a_4b_b:F-Li-Mn-O-P,18.0,"Invalid WP multiplicities - A3B3C2D8E2_mC36_8_3a_a2b_2a_8b_b:F-Li-Mn-O-P, expected Li5Mn2P2O16F3 to be Li3Mn2P2O8F3" +mp-758713,Li3Mn2P2O8F3,-7.07371044,-2.6189687294,0.0688506828,0.0688506828,GGA+U,Fmm2,A3B3C2D8E2_oF72_42_ac_ad_c_2e_b:F-Li-Mn-O-P,36.0,A3B3C2D8E2_oF72_42_ac_ad_c_2e_b:F-Li-Mn-O-P +mp-759148,Li3Mn2P2O8F3,-7.0711446861,-2.6164029756,0.0714164367,0.0714164367,GGA+U,Pnnm,A3B3C2D8E2_oP72_58_gh_3g_h_4h_ef:F-Li-Mn-O-P,72.0,"Invalid WP multiplicities - A3B3C2D8E2_oP72_58_2g3h_9g_h_13h_2e3f:F-Li-Mn-O-P, expected Li9Mn2P5(O13F4)2 to be Li3Mn2P2O8F3" +mp-759732,Li15Mn8P8(O4F)8,-7.1989124396,-2.7084581313,0.0324979068,0.0324979068,GGA+U,P1,A8B15C8D32E8_aP71_1_8a_15a_8a_32a_8a:F-Li-Mn-O-P,71.0,A8B15C8D32E8_aP71_1_8a_15a_8a_32a_8a:F-Li-Mn-O-P +mp-1178065,Li19Mn4P8O35F,-6.9451662588000005,-2.5978588028000003,0.0590096137,0.0590096137,GGA+U,P1,AB19C4D35E8_aP67_1_a_19a_4a_35a_8a:F-Li-Mn-O-P,67.0,AB19C4D35E8_aP67_1_a_19a_4a_35a_8a:F-Li-Mn-O-P +mp-759107,Li4Mn3P3O12F,-7.505934661499999,-2.6088308195,0.0739797525,0.0739797525,GGA+U,P-43n,AB4C3D12E3_cP46_218_a_e_c_i_d:F-Li-Mn-O-P,46.0,AB4C3D12E3_cP46_218_a_e_c_i_d:F-Li-Mn-O-P +mp-759719,LiMn2P2(O4F)2,-7.4263014898,-2.4625664172,0.0449284343,0.0449284343,GGA+U,P1,A2BC2D8E2_aP60_1_8a_4a_8a_32a_8a:F-Li-Mn-O-P,60.0,A2BC2D8E2_aP60_1_8a_4a_8a_32a_8a:F-Li-Mn-O-P +mp-759712,LiMnPO4F,-7.3708467088,-2.598037399,0.030016365,0.0258829675,GGA+U,P1,ABCD4E_aP64_1_8a_8a_8a_32a_8a:F-Li-Mn-O-P,64.0,ABCD4E_aP64_1_8a_8a_8a_32a_8a:F-Li-Mn-O-P +mp-1176649,LiMnPO4F,-7.3468357717,-2.574026462,0.054027302,0.0498939045,GGA+U,P1,ABCD4E_aP64_1_8a_8a_8a_32a_8a:F-Li-Mn-O-P,64.0,ABCD4E_aP64_1_8a_8a_8a_32a_8a:F-Li-Mn-O-P +mp-818167,LiMnPO4F,-1.3480638138,3.424745496,6.05279926,6.0486658625,GGA+U,P-1,ABCD4E_aP16_2_i_i_be_4i_i:F-Li-Mn-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_be_6i_i:F-Li-Mn-O-P, expected LiMnPO6F to be LiMnPO4F" +mp-25410,LiMnPO4F,-7.4008630738,-2.628053764,0.0,-0.0041333975,GGA+U,P-1,ABCD4E_aP16_2_i_i_be_4i_i:F-Li-Mn-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_be_6i_i:F-Li-Mn-O-P, expected LiMnPO6F to be LiMnPO4F" +mp-1444833,LiMnPO4F,-4.83539711,-0.0625878003,2.5654659638,2.5613325662,GGA+U,P-1,ABCD4E_aP16_2_i_i_ab_4i_i:F-Li-Mn-O-P,16.0,"Invalid WP multiplicities - ABCD4E_aP16_2_i_i_ab_6i_i:F-Li-Mn-O-P, expected LiMnPO6F to be LiMnPO4F" +mp-758683,LiMnPO4F,-7.3813225869,-2.6085132771,0.0195404869,0.0154070894,GGA+U,Cc,ABCD4E_mC64_9_2a_2a_2a_8a_2a:F-Li-Mn-O-P,32.0,"Invalid WP multiplicities - ABCD4E_mC64_9_4a_4a_4a_16a_3a:F-Li-Mn-O-P, expected Li4Mn4P3(O4F)4 to be LiMnPO4F" +mp-759123,LiMnPO4F,-7.0812123303,-2.3084030206,0.3196507434,0.3155173459,GGA+U,Pna2_1,ABCD4E_oP64_33_2a_2a_2a_8a_2a:F-Li-Mn-O-P,64.0,ABCD4E_oP64_33_4a_4a_4a_16a_4a:F-Li-Mn-O-P +mp-759305,Li3Mn2P2(O4F)2,-7.2772697134,-2.6729243121,0.0224913129,0.0224913129,GGA+U,Pc,A2B3C2D8E2_mP68_7_4a_6a_4a_16a_4a:F-Li-Mn-O-P,68.0,"Invalid WP multiplicities - A2B3C2D8E2_mP68_7_6a_11a_6a_32a_8a:F-Li-Mn-O-P, expected Li11Mn6P8(O16F3)2 to be Li3Mn2P2(O4F)2" +mp-555333,LiMnFeF6,-6.3280128952,-2.8824758759,0.0001540404,-0.0055487869,GGA+U,P321,A6BCD_hP27_150_3g_f_ad_e:F-Fe-Li-Mn,27.0,"Invalid WP multiplicities - A6BCD_hP27_150_16g_f_a2d_e:F-Fe-Li-Mn, expected Li5Mn3Fe3F96 to be LiMnFeF6" +mp-22200,LiMnFeF6,-6.3281669356,-2.8826299163,0.0,-0.0057028272,GGA+U,P321,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Li-Mn,27.0,A6BCD_hP27_150_3g_ad_f_e:F-Fe-Li-Mn +mp-6247,Na3Li3Fe2F12,-5.4380892889,-2.9594825634,0.0,-0.0171302452,GGA+U,Ia-3d,A12B2C3D3_cI160_230_h_a_d_c:F-Fe-Li-Na,80.0,A12B2C3D3_cI160_230_h_a_d_c:F-Fe-Li-Na +mp-776529,NaLiMn2Fe4(PO4)6,-7.8561590508,-2.4183720062000003,0.0211539818,0.0211539818,GGA+U,P1,A4BC2DE24F6_aP38_1_4a_a_2a_a_24a_6a:Fe-Li-Mn-Na-O-P,38.0,A4BC2DE24F6_aP38_1_4a_a_2a_a_24a_6a:Fe-Li-Mn-Na-O-P +mp-1114240,Na2LiMnF6,-5.396558792,-2.8780725369,0.1046147468,0.1046147468,GGA+U,Fm-3m,A6BCD2_cF40_225_e_a_b_c:F-Li-Mn-Na,10.0,A6BCD2_cF40_225_e_a_b_c:F-Li-Mn-Na +mp-1111348,NaLi2FeF6,-5.201531944,-2.6936053398,0.2744787449,0.2744787449,GGA+U,Fm-3m,A6BC2D_cF40_225_e_a_c_b:F-Fe-Li-Na,10.0,A6BC2D_cF40_225_e_a_c_b:F-Fe-Li-Na +mp-1198378,NaLiFePO4F,-6.8909070293,-2.5783508416,0.0095124387,0.0095124387,GGA+U,Pnma,ABCDE4F_oP72_62_2c_ab_2c_d_4c2d_2c:F-Fe-Li-Na-O-P,72.0,ABCDE4F_oP72_62_2c_ab_2c_d_4c2d_2c:F-Fe-Li-Na-O-P +mp-1111191,NaLi2MnF6,-5.26320136,-2.6860753476,0.326371677,0.326371677,GGA+U,Fm-3m,A6B2CD_cF40_225_e_c_a_b:F-Li-Mn-Na,10.0,A6B2CD_cF40_225_e_c_a_b:F-Li-Mn-Na +mp-1221200,Na4Li4MnFe3P4(O4F)4,-6.9487019485,-2.6169237029,0.002187737,0.002187737,GGA+U,P2_1/c,A4B3C4DE4F16G4_mP72_14_2e_abc_2e_d_2e_8e_2e:F-Fe-Li-Mn-Na-O-P,72.0,"Invalid WP multiplicities - A4B3C4DE4F16G4_mP72_14_2e_abc_2e_d_4e_12e_2e:F-Fe-Li-Mn-Na-O-P, expected Na8Li4MnFe3P4(O6F)4 to be Na4Li4MnFe3P4(O4F)4" +mp-770371,Li4Ti3Mn2Fe3O16,-7.9446782525,-2.4374182128,0.0611244509,0.0611244509,GGA+U,Cm,A3B4C2D16E3_mC56_8_ab_4a_2a_8a4b_ab:Fe-Li-Mn-O-Ti,28.0,"Invalid WP multiplicities - A3B4C2D16E3_mC56_8_ab_4a_2a_8a6b_ab:Fe-Li-Mn-O-Ti, expected Li4Ti3Mn2Fe3O20 to be Li4Ti3Mn2Fe3O16" +mp-767370,Li4Ti2Mn3(Fe2O9)2,-7.7790709176,-2.1715482396,0.0845862167,0.0845862167,GGA+U,Pbam,A4B4C3D18E2_oP62_55_gh_2g_ah_4g5h_g:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4C3D18E2_oP62_55_3g2h_5g_2a2h_12g20h_g:Fe-Li-Mn-O-Ti, expected Li5TiMn3Fe5O32 to be Li4Ti2Mn3(Fe2O9)2" +mp-1177270,Li4Ti3Mn2(Fe2O9)2,-7.8901173027,-2.3234502142,0.0893639259,0.0893639259,GGA+U,Pmc2_1,A4B4C2D18E3_oP62_26_2a2b_4a_ab_8a10b_2ab:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4C2D18E3_oP62_26_4a2b_6a_2ab_14a20b_3ab:Fe-Li-Mn-O-Ti, expected Li6Ti4Mn3(Fe3O17)2 to be Li4Ti3Mn2(Fe2O9)2" +mp-774578,Li4Ti4Mn4FeO18,-8.1590763152,-2.566297647,0.0797144425,0.0797144425,GGA+U,Pbam,AB4C4D18E4_oP62_55_a_2g_gh_4g5h_gh:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - AB4C4D18E4_oP62_55_a_5g_3g2h_12g20h_3g2h:Fe-Li-Mn-O-Ti, expected Li10Ti10Mn10FeO64 to be Li4Ti4Mn4FeO18" +mp-768043,Li4TiMn4(Fe2O9)2,-7.642039376,-1.9936611084,0.1057936639,0.1057936639,GGA+U,Pmc2_1,A4B4C4D18E_oP62_26_2a2b_4a_2a2b_8a10b_a:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4C4D18E_oP62_26_4a2b_6a_4a2b_14a20b_a:Fe-Li-Mn-O-Ti, expected Li6TiMn6(Fe3O17)2 to be Li4TiMn4(Fe2O9)2" +mp-767373,Li4Ti4Mn(Fe2O9)2,-8.0060510456,-2.4802395467,0.0892542773,0.0892542773,GGA+U,Pbam,A4B4CD18E4_oP62_55_gh_2g_a_4g5h_gh:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A4B4CD18E4_oP62_55_3g2h_5g_a_12g20h_3g2h:Fe-Li-Mn-O-Ti, expected Li10Ti10Mn(Fe5O32)2 to be Li4Ti4Mn(Fe2O9)2" +mp-1224604,K2Na4Li2Ti4Mn3Fe(SiO3)16,-8.0746081424,-3.0356965602,0.0058121785,0.0058121785,GGA+U,P1,AB2C2D3E4F48G16H4_aP80_1_a_2a_2a_3a_4a_48a_16a_4a:Fe-K-Li-Mn-Na-O-Si-Ti,80.0,AB2C2D3E4F48G16H4_aP80_1_a_2a_2a_3a_4a_48a_16a_4a:Fe-K-Li-Mn-Na-O-Si-Ti +mp-775132,NaLi3Fe4(SiO3)8,-7.8238182897,-2.7475069887,0.0091581771,0.0091581771,GGA+U,P1,A4B3CD24E8_aP80_1_8a_6a_2a_48a_16a:Fe-Li-Na-O-Si,80.0,A4B3CD24E8_aP80_1_8a_6a_2a_48a_16a:Fe-Li-Na-O-Si +mp-1220801,NaLi3Fe4(SiO3)8,-7.8225843545,-2.7462730534,0.0103921123,0.0103921123,GGA+U,P1,A4B3CD24E8_aP40_1_4a_3a_a_24a_8a:Fe-Li-Na-O-Si,40.0,A4B3CD24E8_aP40_1_4a_3a_a_24a_8a:Fe-Li-Na-O-Si +mp-775021,NaLi3Fe4(SiO3)8,-7.8236395238,-2.7473282227,0.0093369431,0.0093369431,GGA+U,P-1,A4B3CD24E8_aP80_2_4i_3i_i_24i_8i:Fe-Li-Na-O-Si,80.0,"Invalid WP multiplicities - A4B3CD24E8_aP80_2_7i_5i_i_47i_15i:Fe-Li-Na-O-Si, expected NaLi5Fe7Si15O47 to be NaLi3Fe4(SiO3)8" +mp-1220832,NaLi3Fe4(SiO3)8,-7.8228685828,-2.7465572817,0.0101078841,0.0101078841,GGA+U,P2,A4B3CD24E8_mP40_3_abcd_abc_d_12e_4e:Fe-Li-Na-O-Si,40.0,"Invalid WP multiplicities - A4B3CD24E8_mP40_3_abcd_abc_d_24e_8e:Fe-Li-Na-O-Si, expected NaLi3Fe4(SiO3)16 to be NaLi3Fe4(SiO3)8" +mp-775329,Na3Li2Fe5(SiO3)10,-7.7933697891,-2.7375824031,0.0076212929,0.0076212929,GGA+U,P1,A5B2C3D30E10_aP100_1_10a_4a_6a_60a_20a:Fe-Li-Na-O-Si,100.0,A5B2C3D30E10_aP100_1_10a_4a_6a_60a_20a:Fe-Li-Na-O-Si +mp-775490,NaLi7Fe8(SiO3)16,-7.8354855916,-2.7518443209,0.0089142269,0.0089142269,GGA+U,P1,A8B7CD48E16_aP80_1_8a_7a_a_48a_16a:Fe-Li-Na-O-Si,80.0,A8B7CD48E16_aP80_1_8a_7a_a_48a_16a:Fe-Li-Na-O-Si +mp-510635,KNa2LiTi2Fe2(SiO3)8,-8.016652952,-3.0036911479,0.0,-0.0019476971,GGA+U,Cc,A2BCD2E24F8G2_mC160_9_2a_a_a_2a_24a_8a_2a:Fe-K-Li-Na-O-Si-Ti,80.0,A2BCD2E24F8G2_mC160_9_2a_a_a_2a_24a_8a_2a:Fe-K-Li-Na-O-Si-Ti +mp-766215,Na5LiFe6(SiO3)12,-7.7744312297,-2.7323264537,0.0052362625,0.0052362625,GGA+U,C2,A6BC5D36E12_mC120_5_ab2c_a_b2c_18c_6c:Fe-Li-Na-O-Si,60.0,"Invalid WP multiplicities - A6BC5D36E12_mC120_5_ab4c_a_b3c_36c_12c:Fe-Li-Na-O-Si, expected Na7LiFe10(SiO3)24 to be Na5LiFe6(SiO3)12" +mp-774494,Li4Ti2Mn4(FeO6)3,-7.8167853208,-2.186940253,0.0997662491,0.0997662491,GGA+U,Pbam,A3B4C4D18E2_oP62_55_ah_2g_gh_4g5h_g:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A3B4C4D18E2_oP62_55_2a2h_5g_3g2h_12g20h_g:Fe-Li-Mn-O-Ti, expected Li5TiMn5Fe3O32 to be Li4Ti2Mn4(FeO6)3" +mp-1189006,KLiMn2(SiO3)4,-7.9493893575,-2.8291449049,0.0,-0.0008554514,GGA+U,C2/m,ABC2D12E4_mC40_12_c_b_g_2i2j_j:K-Li-Mn-O-Si,20.0,ABC2D12E4_mC40_12_c_a_g_2i2j_j:K-Li-Mn-O-Si +mp-774626,Li4Ti3Mn4(FeO9)2,-8.001531624,-2.3902197561,0.0766539825,0.0766539825,GGA+U,Pmc2_1,A2B4C4D18E3_oP62_26_ab_4a_2a2b_8a10b_2ab:Fe-Li-Mn-O-Ti,62.0,"Invalid WP multiplicities - A2B4C4D18E3_oP62_26_2ab_6a_4a2b_14a20b_3ab:Fe-Li-Mn-O-Ti, expected Li6Ti4Mn6Fe3O34 to be Li4Ti3Mn4(FeO9)2" +mp-1223707,KNa2LiTi2MnFe(SiO3)8,-8.0577576407,-3.0274959846,0.0014068905,0.0014068905,GGA+U,Cc,ABCDE2F24G8H2_mC160_9_a_a_a_a_2a_24a_8a_2a:Fe-K-Li-Mn-Na-O-Si-Ti,80.0,"Invalid WP multiplicities - ABCDE2F24G8H2_mC160_9_a_a_a_a_3a_36a_12a_2a:Fe-K-Li-Mn-Na-O-Si-Ti, expected KNa3LiTi2MnFe(SiO3)12 to be KNa2LiTi2MnFe(SiO3)8" +mp-775304,Na9LiFe10(SiO3)20,-7.7697751537,-2.7315796949,0.0037998842,0.0037998842,GGA+U,P1,A10BC9D60E20_aP100_1_10a_a_9a_60a_20a:Fe-Li-Na-O-Si,100.0,A10BC9D60E20_aP100_1_10a_a_9a_60a_20a:Fe-Li-Na-O-Si +mp-6838,Na2LiFe(Si2O5)3,-7.7339487932,-2.9428994527,7.43968e-05,7.43968e-05,GGA+U,Cmce,ABC2D15E6_oC200_64_e_d_ef_3f6g_3g:Fe-Li-Na-O-Si,100.0,"Invalid WP multiplicities - ABC2D15E6_oC200_64_e_d_ef_4f11g_9g:Fe-Li-Na-O-Si, expected Na2LiFe(Si9O13)2 to be Na2LiFe(Si2O5)3" +mp-1101479,NaLi9Fe10(SiO3)20,-7.8372785355,-2.7521712708,0.0094059534,0.0094059534,GGA+U,C2,A10B9CD60E20_mC200_5_ab4c_a4c_b_30c_10c:Fe-Li-Na-O-Si,100.0,"Invalid WP multiplicities - A10B9CD60E20_mC200_5_ab7c_a6c_b_59c_18c:Fe-Li-Na-O-Si, expected NaLi13Fe16(Si18O59)2 to be NaLi9Fe10(SiO3)20" +mp-850191,NaLiFe2(SiO3)4,-7.801231217,-2.7395798552,0.0088985464,0.0088985464,GGA+U,C2,A2BCD12E4_mC40_5_ab_a_b_6c_2c:Fe-Li-Na-O-Si,20.0,"Invalid WP multiplicities - A2BCD12E4_mC40_5_ab_a_b_12c_4c:Fe-Li-Na-O-Si, expected NaLiFe2(SiO3)8 to be NaLiFe2(SiO3)4" +mp-1221254,Na3LiFe4(SiO3)8,-7.7807663448,-2.7337749223000003,0.0065167152,0.0065167152,GGA+U,P2,A4BC3D24E8_mP40_3_abcd_a_bcd_12e_4e:Fe-Li-Na-O-Si,40.0,"Invalid WP multiplicities - A4BC3D24E8_mP40_3_abcd_a_bcd_24e_8e:Fe-Li-Na-O-Si, expected Na3LiFe4(SiO3)16 to be Na3LiFe4(SiO3)8" +mp-16283,KNa2Li3Fe2(Si2O5)6,-7.76116535,-2.9626305850000003,0.0,-0.0062404899,GGA+U,P6/mcc,A2BC3D2E30F12_hP100_192_c_a_f_d_l2m_m:Fe-K-Li-Na-O-Si,100.0,"Invalid WP multiplicities - A2BC3D2E30F12_hP100_192_c_a_f_d_3l4m_m:Fe-K-Li-Na-O-Si, expected KNa2Li3Fe2(Si2O11)6 to be KNa2Li3Fe2(Si2O5)6" +mp-1188440,LiMnVF6,-6.6553752667,-3.1416288185,0.0006393915,-0.0049911267,GGA+U,P4_2nm,A6BCD_tP18_102_3c_a_a_a:F-Li-Mn-V,18.0,A6BCD_tP18_102_3c_a_a_a:F-Li-Mn-V +mp-1193542,LiMnVF6,-6.6560146581,-3.14226821,0.0,-0.0056305181,GGA+U,P321,A6BCD_hP27_150_3g_ad_e_f:F-Li-Mn-V,27.0,A6BCD_hP27_150_3g_ad_e_f:F-Li-Mn-V +mp-752825,Li3MnVP2(O4F)2,-7.359117035,-2.7593662938,0.0353004659,0.0353004659,GGA+U,P1,A2B3CD8E2F_aP17_1_2a_3a_a_8a_2a_a:F-Li-Mn-O-P-V,34.0,A2B3CD8E2F_aP17_1_2a_3a_a_8a_2a_a:F-Li-Mn-O-P-V +mp-777400,LiMnVP2(O4F)2,-7.631529284,-2.6730014929,0.0,-0.0007790221,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Li-Mn-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Li-Mn-O-P-V +mp-1391284,LiMnVP2(O4F)2,-4.4296272747,0.5289005165,3.2019020093,3.2011229872,GGA+U,P1,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Li-Mn-O-P-V,15.0,A2BCD8E2F_aP15_1_2a_a_a_8a_2a_a:F-Li-Mn-O-P-V +mp-775972,Li2MnVP2(O4F)2,-7.5020252597,-2.7340977763,0.0281830306,0.0170745378,GGA+U,P1,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V,32.0,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V +mp-890597,Li2MnVP2(O4F)2,-3.8727727541,0.8951547293000001,3.6574355362,3.6463270434,GGA+U,P1,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V,32.0,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V +mp-776087,Li2MnVP2(O4F)2,-7.5024596456,-2.7345321623,0.0277486447,0.0166401519,GGA+U,P1,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V,32.0,A2B2CD8E2F_aP32_1_4a_4a_2a_16a_4a_2a:F-Li-Mn-O-P-V +mp-776588,Li2MnVP2(O4F)2,-7.5018142048,-2.7338867214,0.0283940855,0.0172855927,GGA+U,P1,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V,48.0,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V +mp-776481,Li2MnVP2(O4F)2,-7.4922143865,-2.7242869031,0.0379939039,0.026885411,GGA+U,P1,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V,48.0,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V +mp-775946,Li2MnVP2(O4F)2,-7.5033033725,-2.7353758891,0.0269049178,0.015796425,GGA+U,P1,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V,48.0,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V +mp-776560,Li2MnVP2(O4F)2,-7.4955564681,-2.7276289848,0.0346518222,0.0235433294,GGA+U,P1,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V,48.0,A2B2CD8E2F_aP48_1_6a_6a_3a_24a_6a_3a:F-Li-Mn-O-P-V +mp-776480,Li2MnVP2(O4F)2,-7.4998813319,-2.7319538485,0.0303269584,0.0192184656,GGA+U,P-1,A2B2CD8E2F_aP32_2_2i_2i_af_8i_2i_ch:F-Li-Mn-O-P-V,32.0,"Invalid WP multiplicities - A2B2CD8E2F_aP32_2_3i_3i_af_15i_3i_ch:F-Li-Mn-O-P-V, expected Li3MnVP3(O5F)3 to be Li2MnVP2(O4F)2" +mp-776449,Li2MnVP2(O4F)2,-7.4997739766,-2.7318464932,0.0304343137,0.0193258209,GGA+U,P-1,A2B2CD8E2F_aP32_2_2i_2i_bh_8i_2i_cd:F-Li-Mn-O-P-V,32.0,"Invalid WP multiplicities - A2B2CD8E2F_aP32_2_3i_3i_bh_15i_3i_cd:F-Li-Mn-O-P-V, expected Li3MnVP3(O5F)3 to be Li2MnVP2(O4F)2" +mp-776477,Li2MnVP2(O4F)2,-7.5021705181,-2.7342430348,0.0280377722,0.0169292794,GGA+U,P-1,A2B2CD8E2F_aP48_2_3i_3i_bi_12i_3i_di:F-Li-Mn-O-P-V,48.0,"Invalid WP multiplicities - A2B2CD8E2F_aP48_2_4i_5i_b2i_23i_4i_d2i:F-Li-Mn-O-P-V, expected Li10Mn5V5P8(O23F4)2 to be Li2MnVP2(O4F)2" +mp-776501,Li2MnVP2(O4F)2,-7.5051346469,-2.7372071635,0.0250736434,0.0139651506,GGA+U,P-1,A2B2CD8E2F_aP32_2_2i_2i_bc_8i_2i_dh:F-Li-Mn-O-P-V,32.0,"Invalid WP multiplicities - A2B2CD8E2F_aP32_2_3i_3i_bc_15i_3i_dh:F-Li-Mn-O-P-V, expected Li3MnVP3(O5F)3 to be Li2MnVP2(O4F)2" +mp-776446,Li2MnVP2(O4F)2,-7.5023273125,-2.7343998291,0.0278809778,0.016772485,GGA+U,P-1,A2B2CD8E2F_aP48_2_3i_3i_bi_12i_3i_di:F-Li-Mn-O-P-V,48.0,"Invalid WP multiplicities - A2B2CD8E2F_aP48_2_5i_5i_bi_23i_5i_di:F-Li-Mn-O-P-V, expected Li10Mn3V3P10(O23F5)2 to be Li2MnVP2(O4F)2" +mp-1177877,Li2MnVP2(O4F)2,-7.5302082903,-2.762280807,0.0,-0.0111084928,GGA+U,P-1,A2B2CD8E2F_aP16_2_i_i_b_4i_i_e:F-Li-Mn-O-P-V,32.0,A2B2CD8E2F_aP16_2_i_i_b_4i_i_e:F-Li-Mn-O-P-V +mp-776578,Li2MnVP2(O4F)2,-7.5038558925,-2.7359284091,0.0263523978,0.015243905,GGA+U,P-1,A2B2CD8E2F_aP48_2_3i_3i_ai_12i_3i_ci:F-Li-Mn-O-P-V,48.0,"Invalid WP multiplicities - A2B2CD8E2F_aP48_2_5i_5i_ai_23i_5i_ci:F-Li-Mn-O-P-V, expected Li10Mn3V3P10(O23F5)2 to be Li2MnVP2(O4F)2" +mp-776504,Li2MnVP2(O4F)2,-7.5051946087,-2.7372671254,0.0250136816,0.0139051887,GGA+U,P-1,A2B2CD8E2F_aP48_2_3i_3i_ai_12i_3i_ci:F-Li-Mn-O-P-V,48.0,"Invalid WP multiplicities - A2B2CD8E2F_aP48_2_4i_5i_a2i_24i_4i_c2i:F-Li-Mn-O-P-V, expected Li10Mn5V5P8(O6F)8 to be Li2MnVP2(O4F)2" +mp-1393717,Li2MnVP2(O4F)2,-4.9967612831,-0.2288337998,2.5334470072,2.5223385144,GGA+U,P-1,A2B2CD8E2F_aP16_2_i_i_a_4i_i_b:F-Li-Mn-O-P-V,16.0,"Invalid WP multiplicities - A2B2CD8E2F_aP16_2_i_i_a_7i_i_b:F-Li-Mn-O-P-V, expected Li2MnVP2(O7F)2 to be Li2MnVP2(O4F)2" diff --git a/data/systems_10_mp_20/systems_quaternary_n10_maxatoms20_intermetallic_smact.json b/data/systems_10_mp_20/systems_quaternary_n10_maxatoms20_intermetallic_smact.json new file mode 100644 index 0000000..8e72fee --- /dev/null +++ b/data/systems_10_mp_20/systems_quaternary_n10_maxatoms20_intermetallic_smact.json @@ -0,0 +1,62 @@ +[ + [ + "Ba", + "Nd", + "Ni", + "W" + ], + [ + "Eu", + "Nb", + "Sn", + "Tl" + ], + [ + "Ce", + "Er", + "Pb", + "Rh" + ], + [ + "Dy", + "K", + "Pd", + "Sm" + ], + [ + "Co", + "Dy", + "Ta", + "Y" + ], + [ + "Au", + "Cr", + "Cs", + "Dy" + ], + [ + "Ca", + "Pd", + "Sn", + "W" + ], + [ + "Au", + "Tb", + "V", + "Y" + ], + [ + "Ce", + "Ir", + "Pt", + "Sn" + ], + [ + "Ba", + "Be", + "Hf", + "Li" + ] +] \ No newline at end of file diff --git a/data/systems_10_mp_20/systems_quinary_n10_maxatoms20_intermetallic_smact.json b/data/systems_10_mp_20/systems_quinary_n10_maxatoms20_intermetallic_smact.json new file mode 100644 index 0000000..bd258f2 --- /dev/null +++ b/data/systems_10_mp_20/systems_quinary_n10_maxatoms20_intermetallic_smact.json @@ -0,0 +1,72 @@ +[ + [ + "Cd", + "Li", + "Nd", + "Ti", + "W" + ], + [ + "Cd", + "Gd", + "Mn", + "Na", + "Ta" + ], + [ + "Co", + "Hg", + "Mg", + "Sr", + "W" + ], + [ + "Ca", + "Fe", + "Gd", + "Pb", + "Tb" + ], + [ + "Al", + "Hg", + "K", + "Mg", + "W" + ], + [ + "Ag", + "Nd", + "Pd", + "Pt", + "Tb" + ], + [ + "Al", + "Lu", + "Pt", + "Rb", + "Sm" + ], + [ + "Co", + "Hf", + "In", + "Ru", + "Tm" + ], + [ + "Ho", + "In", + "Mg", + "Pd", + "Zr" + ], + [ + "Cr", + "Fe", + "Lu", + "Pt", + "Sc" + ] +] \ No newline at end of file diff --git a/data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json b/data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json new file mode 100644 index 0000000..f426ef1 --- /dev/null +++ b/data/systems_10_mp_20/systems_ternary_n10_maxatoms20_intermetallic_smact.json @@ -0,0 +1,52 @@ +[ + [ + "Mg", + "Sn", + "Sr" + ], + [ + "Au", + "K", + "Tb" + ], + [ + "Co", + "Mg", + "Na" + ], + [ + "Hf", + "Ni", + "Zr" + ], + [ + "Co", + "Dy", + "W" + ], + [ + "Ga", + "Pt", + "Tm" + ], + [ + "Ga", + "Ho", + "Lu" + ], + [ + "Al", + "Li", + "V" + ], + [ + "Al", + "V", + "Zn" + ], + [ + "Co", + "Pd", + "Tl" + ] +] \ No newline at end of file diff --git a/made/__init__.py b/made/__init__.py new file mode 100644 index 0000000..2c4f336 --- /dev/null +++ b/made/__init__.py @@ -0,0 +1,9 @@ +from . import agents, data, envs, evaluation, oracles + +__all__ = [ + "agents", + "data", + "envs", + "evaluation", + "oracles", +] diff --git a/made/agents/README.md b/made/agents/README.md new file mode 100644 index 0000000..e77fe5c --- /dev/null +++ b/made/agents/README.md @@ -0,0 +1,393 @@ +# Agents Overview + +Agents are organized into two main categories: + +1. **Workflow Agents**: Use a standard planner → generator → filter → scorer workflow + - These agents orchestrate four components in a loop: + 1. **Planner** proposes a `Plan` (compositions to explore and number of candidates). + 2. **Generator** produces candidate `Structure`s for those compositions. + 3. **Filter** validates and filters candidate structures (optional, defaults to NoOpFilter). + 4. **Scorer** selects one winning structure from the candidates for evaluation. + +2. **Orchestrator/Specialized Agents**: Use custom logic to orchestrate components or perform specialized tasks + - These agents may use components (generators, filters, scorers) but with custom orchestration logic + - Examples: `LLMReActOrchestratorAgent` + +## Core interfaces + +Defined in `made.agents.base`: + +- `Plan` – contains `compositions: list[Composition]`, `num_candidates: int`, and optional `constraints`. +- `Planner.propose(state, previous=None) -> Plan`. +- `Generator.generate(plan, state) -> list[Structure]`. +- `Filter.filter(candidates, state) -> list[Structure]`. +- `Scorer.select(candidates, state) -> Structure`. + +## Available implementations + +- Planners: `GridSearchPlanner`, `LLMPlanner` +- Generators: `RandomGenerator`, `ChemeleonGenerator`, `CachedGenerator`. +- Filters: `NoOpFilter`, `SMACTValidityFilter`, `MinDistanceFilter`, `UniquenessFilter`, `FilterChain`. +- Scorers: `RandomSelector`, `CompositionDiversity`, `LLMScorer`, `OracleScorer`, `ScorerChain`. + +## Component details + +### Planners + +Planners decide compositions and candidate counts: + +- LLMPlanner + - Uses an LLM to propose the next compositions given experiment context. + - Key params: `max_stoichiometry`, `num_compositions`, `num_candidates`, plus `llm_config` and `context_config`. + - `llm_config` fields: + - `model` (e.g. `anthropic/claude-sonnet-4-20250514`), `max_output_tokens`, `temperature`, `cache` (caching via dspy). + - `context_config` fields: + - `objective_prompt` (system instructions), toggles for `include_structure_info`, `include_composition_counter`, `include_recent_trial`, and `previous_observations` window. + - Requires: `state['elements']`, convex-hull related context is summarized automatically from state. + +- GridSearchPlanner (recommended) + - Enumerates all stoichiometric compositions up to `max_stoichiometry` over `state['elements']`, and selects a batch each step using a pluggable selection strategy. + - Out-of-the-box strategies include: `random`, `ucb`, `unexplored`, `iterative`, and `diversity` (vectorized, distance- and weight-based with reduced-formula masking and elemental references). + - Key params: `max_stoichiometry`, `num_compositions`, `num_candidates`, `seed`, `selection_strategy`, `selection_strategy_kwargs`, `score_function`, `filter_by_smact_validity`, `return_all_compositions`. + - Selection strategy params (via `selection_strategy_kwargs`): + - UCB: `exploration_factor`, `ucb_reward` ("success_rate", "failure_rate", "best_score") + - Random/Iterative: `max_attempts_per_composition`, `move_on_success` + - Diversity: `distance_metric`, `unattempted_weight`, `attempt_weight_factor`, `failure_weight_factor`, `mask_same_reduced_formula` + - `score_function`: One of "energy_per_atom", "formation_energy_per_atom", "e_above_hull" (used for tracking composition statistics). + - `filter_by_smact_validity`: If True, only enumerate compositions that pass SMACT validity checks. + - `return_all_compositions`: If True, return all valid compositions in plan (useful with cached generator, ignores selection strategy). + - Requires: `state['elements']`. Centralizes composition enumeration and selection logic with a single consistent API. + +### Generators + +Generators produce structures for the planned compositions: + +- RandomGenerator + - Creates random lattices and places atoms per composition. Falls back to one-atom-per-element from `state['elements']` if `plan.compositions` empty. + - Params: `seed`, `lattice_length_range`, `lattice_angle_range`. + - Requires: `state['elements']` when `plan.compositions` is empty. + +- ChemeleonGenerator + - Uses Chemeleon-DNG library directly for crystal structure generation. + - Primarily uses CSP (Crystal Structure Prediction) mode to generate structures for given compositions. + - Params: `task` ("csp" or "dng"), `batch_size`, `device` ("cpu" or "cuda"), `num_atom_distribution` (for DNG only, e.g., "mp-20"), `output_dir`. + - CSP mode (default): Uses `plan.compositions` as formulas to predict stable structures for given compositions. + - DNG mode (optional): Generates novel crystal structures without predefined compositions based on atom number distribution. + - Installation: Installed directly from GitHub (`chemeleon-dng @ git+https://github.com/hspark1212/chemeleon-dng.git`). + - Checkpoints are automatically downloaded from Figshare on first use via the `download_util` module. + - Notes: + - Structures are generated in CIF format and converted to pymatgen Structure objects. + - Model is lazy-loaded in `setup()` method to avoid initialization overhead. + - Currently generates structures in P1 space group (symmetry detection may be needed for other space groups). + +- CachedGenerator + - Generates candidates once and caches them for reuse, avoiding redundant generation. + - Generates candidates only on the first call per composition (or globally), then returns cached candidates on subsequent calls (excluding already-selected ones). + - Params: `base_generator` (generator to use for creating candidates), `num_initial_candidates` (number to generate and cache initially), `cache_by_composition` (if True, maintain separate cache per composition; if False, single global cache). + - Useful when: Using expensive generators (e.g., Chemeleon) with planners that revisit compositions, or when using `GridSearchPlanner` with `return_all_compositions=True`. + +### Scorers + +Scorers pick one structure from candidates: + +- LLMScorer + - Uses an LLM to select one candidate structure to evaluate next, balancing likelihood of stability (low E_hull) and diversity. + - Key params: `llm_config`, `context_config` with an `objective_prompt` and the same context toggles as above. + - Input/Output: returns a single `Structure` from a list of candidates; falls back to the first candidate if the LLM returns an invalid index. + +- RandomSelector + - Uniform random choice. + - Params: `seed`. + +- CompositionDiversity + - Chooses candidate farthest in composition space from observed. + - Params: `distance_metric` (euclidean|manhattan|cosine), `seed`. + - Requires: `state['phase_diagram_all_entries']`. + +- OracleScorer + - Wraps any `Oracle` to score candidate structures using oracle evaluation (relaxations, calculators, etc.). + - Supports caching and reranking when state changes (for e_above_hull scoring). + - Params: `oracle` (Oracle instance), `score_function` ("energy_per_atom", "formation_energy_per_atom", "e_above_hull"), `enable_cache` (default: True), `rerank_on_state_change` (default: False, only relevant for e_above_hull). + - Batching is handled internally by the oracle. Caching avoids redundant oracle evaluations for identical structures. + - Requires: `state['phase_diagram_all_entries']` for formation_energy_per_atom or e_above_hull scoring. + +- ScorerChain + - Chains multiple scorers together for multiobjective optimization. + - Combines scores from multiple scorers using weighted sum or Pareto dominance. + - Params: `scorers` (list of scorers), `weights` (optional list of weights, default: equal weights), `combination_method` ("weighted_sum" or "pareto"), `normalize_scores` (default: True, normalizes each scorer's scores to [0, 1] before combination). + - Useful for: Combining multiple objectives (e.g., stability + diversity, energy + properties). + +### Filters + +Filters validate candidate structures between generation and scoring, removing invalid structures: + +- NoOpFilter + - Pass-through filter that returns all candidates unchanged. + - Use this when no filtering is desired (default). + +- SMACTValidityFilter + - Filters structures based on SMACT chemical validity checks. + - Removes structures that fail charge balance and electronegativity constraints. + - Uses the same validity logic as the evaluation metrics. + +- MinDistanceFilter + - Filters structures based on minimum interatomic distance. + - Removes structures where atoms are too close together (below threshold). + - Params: `min_distance_threshold` (default: 0.5 Angstroms). + +- UniquenessFilter + - Filters structures that are unique compared to already attempted structures. + - Removes structures that match (via StructureMatcher) any structure that has already been attempted. + - Params: `ltol` (fractional length tolerance, default: 0.2), `stol` (site tolerance, default: 0.3), `angle_tol` (angle tolerance in degrees, default: 5.0), `primitive_cell` (use primitive cell for matching, default: True). + - Requires: `state['phase_diagram_all_entries']` to extract reference structures from attempted entries. + - Useful for: Avoiding redundant evaluation of structures that are structurally equivalent to previously attempted ones. + +- FilterChain + - Chains multiple filters together, applying them sequentially. + - Each filter receives the output of the previous filter. + - Params: `filters` (list of Filter instances). + - Example: Apply min-distance filtering first, then SMACT validity. + +**Filter Chaining:** + +Filters can be chained together to apply multiple validation criteria. You can either: + +1. Use a pre-made chain config (e.g., `chain` with custom filters) +2. Use FilterChain directly in your config: + +```yaml +filter: + _target_: made.agents.filters.FilterChain + filters: + - _target_: made.agents.filters.MinDistanceFilter + min_distance_threshold: 0.5 + - _target_: made.agents.filters.SMACTValidityFilter +``` + +When using defaults, the WorkflowAgent constructor accepts either a single Filter or a list of Filters, automatically wrapping lists in a FilterChain. + +## Configuration + +Hydra-style configs live under `configs/agent/`. For example, `random_generator_baseline.yaml`: + +```yaml +_target_: made.agents.OneShotWorkflowAgent + +defaults: + - planner: random + - generator: cached + - filter: noop # Options: noop, smact, min_distance, chain (or custom FilterChain) + - scorer: random +``` + +Switch components by changing the defaults, e.g. use `planner: diversity` and `scorer: diversity` with `generator: chemeleon` and `filter: smact` to explore diverse compositions, validate with SMACT, and select diverse candidates using Chemeleon for structure generation. + +## Agent Hierarchy + +- **Agent** (base): Minimal abstract base class defining the interface for all agents + +### Workflow Agents + +- **WorkflowAgent**: Base class for planner → generator → filter → scorer workflow agents + - **OneShotWorkflowAgent**: One-shot strategy (plan once, generate once, select once) + - Uses the standard workflow with pluggable components (planners, generators, filters, scorers) + +### Orchestrator/Specialized Agents + +- **LLMReActOrchestratorAgent**: LLM ReAct agent that orchestrates generators/filters/scorers using LLM decision-making + - Uses DSPy ReAct to decide actions (generate, score, query, select) + - Maintains a buffer of pre-validated structures + - Can use multiple generators and scorers as tools + +## Extending + +### Creating a New Agent + +To create a completely new agent with custom logic: + +1. Subclass `Agent` from `made.agents.base`: + +```python +from made.agents.base import Agent +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +class MyCustomAgent(Agent): + def __init__(self, my_param: str): + super().__init__() + self.my_param = my_param + + def propose_composition_and_structure(self, state: dict) -> tuple[Composition, Structure]: + """Propose a structure for oracle evaluation.""" + # Your custom logic here + composition = Composition("Li2O") + structure = ... # Generate or select a structure + return composition, structure + + def get_state(self) -> dict: + """Return agent state for checkpointing.""" + return {"my_param": self.my_param, "last_step": self.last_step} + + def load_state(self, state: dict) -> None: + """Load agent state from checkpoint.""" + self.my_param = state.get("my_param", self.my_param) + self.last_step = state.get("last_step", 0) + + def update_state(self, state: dict) -> None: + """Update agent based on environment feedback.""" + action = self._update_last_step(state) + if action == "skip": + return + # Process new observations from state["last_observation"] +``` + +2. Create a Hydra config in `configs/agent/my_agent.yaml`: + +```yaml +_target_: my_module.MyCustomAgent +my_param: "value" +``` + +3. Use it: `uv run scripts/run_benchmark.py agent=my_agent` + +### Creating a Workflow Agent + +For agents that follow the planner → generator → filter → scorer workflow: + +```python +from made.agents.base import WorkflowAgent + +class MyWorkflowAgent(WorkflowAgent): + def propose_composition_and_structure(self, state: dict) -> tuple[Composition, Structure]: + # 1. Plan: decide which compositions to explore + plan = self.planner.propose(state) + + # 2. Generate: create candidate structures + candidates = self.generator.generate(plan, state) + + # 3. Filter: remove invalid candidates + candidates = self.filter.filter(candidates, state) + + # 4. Score: select the best candidate + selected = self.scorer.select(candidates, state) + + return selected.composition, selected +``` + +### Creating New Components + +Each component type has an abstract base class in `made.agents.base`. Implement the required methods and document any state requirements. + +#### New Planner + +```python +from made.agents.base import Planner, Plan + +class MyPlanner(Planner): + def propose(self, state: dict, previous: dict | None = None) -> Plan: + """Return compositions to explore and number of candidates.""" + compositions = [Composition("Li2O"), Composition("LiO2")] + return Plan(compositions=compositions, num_candidates=10) + + def get_state(self) -> dict: + return {} + + def update_state(self, state: dict) -> None: + pass +``` + +#### New Generator + +```python +from made.agents.base import Generator, Plan +from pymatgen.core.structure import Structure + +class MyGenerator(Generator): + def generate(self, plan: Plan, state: dict) -> list[Structure]: + """Generate candidate structures for the given plan.""" + structures = [] + for composition in plan.compositions: + for _ in range(plan.num_candidates): + structure = ... # Your generation logic + structures.append(structure) + return structures + + def get_state(self) -> dict: + return {} + + def update_state(self, state: dict) -> None: + pass +``` + +#### New Filter + +```python +from made.agents.base import Filter, FilterResult +from pymatgen.core.structure import Structure + +class MyFilter(Filter): + filter_name = "MyFilter" + + def _filter_with_results( + self, candidates: list[Structure], state: dict + ) -> tuple[list[Structure], list[FilterResult]]: + """Filter candidates and return detailed results.""" + passed = [] + results = [] + for structure in candidates: + is_valid = ... # Your validation logic + results.append(FilterResult( + passed=is_valid, + filter_name=self.filter_name, + rejection_reason=None if is_valid else "Reason for rejection" + )) + if is_valid: + passed.append(structure) + return passed, results + + def get_state(self) -> dict: + return {} + + def update_state(self, state: dict) -> None: + pass +``` + +#### New Scorer + +```python +from made.agents.base import Scorer, ScoreResult +from pymatgen.core.structure import Structure + +class MyScorer(Scorer): + scorer_name = "MyScorer" + + def _score_with_results( + self, candidates: list[Structure], state: dict + ) -> tuple[list[float], list[ScoreResult]]: + """Score candidates (higher is better).""" + scores = [] + results = [] + for structure in candidates: + score = ... # Your scoring logic (higher = better) + scores.append(score) + results.append(ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={"additional_info": "..."} + )) + return scores, results + + def get_state(self) -> dict: + return {} + + def update_state(self, state: dict) -> None: + pass +``` + +### Registering Components + +After implementing a component: + +1. Add it to the appropriate `__init__.py` (e.g., `made/agents/planners/__init__.py`) +2. Create a Hydra config under `configs/agent//my_component.yaml` +3. Reference it in your agent config using Hydra defaults diff --git a/made/agents/__init__.py b/made/agents/__init__.py new file mode 100644 index 0000000..e4a5646 --- /dev/null +++ b/made/agents/__init__.py @@ -0,0 +1,17 @@ +from . import filters, generators, planners, scorers +from .base import Agent, FilterResult, ScoreResult, WorkflowAgent +from .llm_react_orchestrator import LLMReActOrchestratorAgent +from .workflow import OneShotWorkflowAgent + +__all__ = [ + "Agent", + "WorkflowAgent", + "FilterResult", + "ScoreResult", + "LLMReActOrchestratorAgent", + "OneShotWorkflowAgent", + "filters", + "planners", + "generators", + "scorers", +] diff --git a/made/agents/base.py b/made/agents/base.py new file mode 100644 index 0000000..21c3f68 --- /dev/null +++ b/made/agents/base.py @@ -0,0 +1,453 @@ +""" +Base class for all agents +Separated composition and structure prediction. +""" + +import logging +from abc import ABC, abstractmethod +from typing import Any, overload + +from pydantic import BaseModel, Field +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from made.utils.agent_utils import normalize_component_list + +logger = logging.getLogger(__name__) + + +class FilterResult(BaseModel): + """Result of applying a filter to a single structure.""" + + passed: bool = Field(description="Whether the structure passed this filter") + filter_name: str = Field(description="Name of the filter") + rejection_reason: str | None = Field( + default=None, description="Reason for rejection" + ) + details: dict[str, Any] = Field( + default_factory=dict, description="Additional details" + ) + + class Config: + arbitrary_types_allowed = True + + +class ScoreResult(BaseModel): + """Result of scoring a single structure.""" + + score: float = Field(description="The score (higher is better)") + scorer_name: str = Field(description="Name of the scorer") + details: dict[str, Any] = Field( + default_factory=dict, description="Additional scoring details" + ) + + class Config: + arbitrary_types_allowed = True + + +class Plan(BaseModel): + compositions: list[Composition] = Field( + default_factory=list, + description="List of compositions to generate structures for.", + ) + num_candidates: int = 1 # number of structures to generate for each composition + constraints: dict[str, Any] = Field( + default_factory=dict, description="Constraints on the structures to generate." + ) + + +class Planner(ABC): + @abstractmethod + def propose( + self, state: dict[str, Any], previous: dict[str, Any] | None = None + ) -> Plan: + """Produce a Plan given the current environment state and optional prior loop context.""" + + @abstractmethod + def get_state(self) -> dict[str, Any]: + """Return the current state of the planner.""" + + @abstractmethod + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the planner.""" + + +class Generator(ABC): + @abstractmethod + def generate(self, plan: Plan, state: dict[str, Any]) -> list[Structure]: + """Generate candidate structures from the provided plan and environment state.""" + + @abstractmethod + def get_state(self) -> dict[str, Any]: + """Return the current state of the generator.""" + + @abstractmethod + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the generator.""" + + +class Scorer(ABC): + """Base class for structure scorers. + + Scorers evaluate candidate structures and can optionally provide + detailed score information when return_results=True. + """ + + # Override this in subclasses to set a human-readable scorer name + scorer_name: str = "Scorer" + + @overload + def score_candidates( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> list[float]: ... + + @overload + def score_candidates( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = True, + ) -> tuple[list[float], list[ScoreResult]]: ... + + def score_candidates( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> list[float] | tuple[list[float], list[ScoreResult]]: + """ + Score all candidates and return scores in the same order. + + All scores should follow the convention that higher values are better. + For metrics where lower is better (e.g., energy), negate the values. + + Args: + candidates: List of candidate structures to score + state: Current environment state + return_results: If True, also return ScoreResult for each candidate + with detailed scoring information. + + Returns: + If return_results=False: List of scores (higher = better). + If return_results=True: Tuple of (scores, results_per_candidate). + """ + scores, results = self._score_with_results(candidates, state) + if return_results: + return scores, results + return scores + + @abstractmethod + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """Internal method that does the actual scoring with results. + + Subclasses must implement this to provide detailed score information. + """ + + @overload + def select( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> Structure: ... + + @overload + def select( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = True, + ) -> tuple[Structure, list[ScoreResult]]: ... + + def select( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> Structure | tuple[Structure, list[ScoreResult]]: + """ + Choose a winning structure from candidates. + + Default implementation scores all candidates and selects the best. + All scorers should return scores where higher values are better. + State change detection and reranking (if needed) should be handled + internally by score_candidates. + + Args: + candidates: List of candidate structures to select from. + state: Current environment state. + return_results: If True, also return ScoreResult for each candidate. + + Returns: + If return_results=False: The selected Structure. + If return_results=True: Tuple of (selected_structure, results_per_candidate). + """ + if not candidates: + raise ValueError("No candidates provided") + + logger.info( + f"Scorer.select(): Evaluating {len(candidates)} candidates for selection" + ) + + # Score candidates (handles state changes internally if needed) + scores, results = self.score_candidates(candidates, state, return_results=True) + + # Explicitly validate that scores length matches candidates length + if len(scores) != len(candidates): + raise ValueError( + f"score_candidates returned {len(scores)} scores for {len(candidates)} candidates. " + f"Scores and candidates must have the same length." + ) + + # Compute score statistics + max_score = max(scores) + min_score = min(scores) + mean_score = sum(scores) / len(scores) if scores else 0.0 + + # Select best candidate + best_index = int(max(range(len(scores)), key=lambda i: scores[i])) + selected = candidates[best_index] + + logger.info( + f"Scorer.select(): Selected candidate {best_index}/{len(candidates) - 1} " + f"(composition: {selected.composition.formula}, " + f"score: {max_score:.6f}, " + f"score range: [{min_score:.6f}, {max_score:.6f}], " + f"mean: {mean_score:.6f})" + ) + + if return_results: + return selected, results + return selected + + @abstractmethod + def get_state(self) -> dict[str, Any]: + """Return the current state of the scorer.""" + + @abstractmethod + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the scorer.""" + + +class Filter(ABC): + """Base class for structure filters. + + Filters validate candidate structures and can optionally provide + detailed rejection reasons when return_results=True. + """ + + # Override this in subclasses to set a human-readable filter name + filter_name: str = "Filter" + + @overload + def filter( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> list[Structure]: ... + + @overload + def filter( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = True, + ) -> tuple[list[Structure], list[FilterResult]]: ... + + def filter( + self, + candidates: list[Structure], + state: dict[str, Any], + return_results: bool = False, + ) -> list[Structure] | tuple[list[Structure], list[FilterResult]]: + """Filter candidate structures based on validity criteria. + + Args: + candidates: List of candidate structures to filter. + state: Current environment state. + return_results: If True, also return FilterResult for each candidate + with detailed rejection reasons. + + Returns: + If return_results=False: Filtered list of structures. + If return_results=True: Tuple of (filtered_structures, results_per_candidate). + """ + passed, results = self._filter_with_results(candidates, state) + if return_results: + return passed, results + return passed + + @abstractmethod + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Internal method that does the actual filtering with results. + + Subclasses must implement this to provide detailed rejection reasons. + """ + + @abstractmethod + def get_state(self) -> dict[str, Any]: + """Return the current state of the filter.""" + + @abstractmethod + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the filter.""" + + +class Agent(ABC): + """ + Base class for agents. + + This is a minimal abstract base class that defines the interface for all agents. + Agents must implement propose_composition_and_structure() to return a structure + for oracle evaluation. + + For agents using the planner → generator → filter → scorer workflow, + see WorkflowAgent. + """ + + def __init__(self): + """Initialize base agent state.""" + self.last_step = 0 # track the last step of the environment the agent has seen + + def _update_last_step(self, state: dict[str, Any]) -> str: + """ + Update last_step based on environment state. + + Args: + state: Environment state containing 'query_count' and optionally 'last_observation' + + Returns: + Action to take: 'init' (no observation yet), 'update' (new step), 'skip' (already processed) + + Raises: + ValueError: If step is out of sequence + """ + # Check if there's an observation to process + if not state.get("last_observation"): + # No observation yet - first call, initialize + return "init" + + # query_count is at top level of state, not inside last_observation + env_last_step = state.get("query_count", 0) + + if env_last_step == self.last_step + 1: + # New step - update + self.last_step = env_last_step + return "update" + elif env_last_step == self.last_step: + # Already processed this step + logger.debug(f"Step {env_last_step} already processed, skipping update") + return "skip" + else: + raise ValueError( + f"Last observation step {env_last_step} does not match expected step {self.last_step + 1}" + ) + + @abstractmethod + def propose_composition_and_structure( + self, state: dict[str, Any] + ) -> tuple[Composition, Structure]: + """Propose a composition and structure given the environment state.""" + + @abstractmethod + def get_state(self) -> dict[str, Any]: + """Get full agent state for checkpointing.""" + + @abstractmethod + def load_state(self, state: dict[str, Any]) -> None: + """Load full agent state from checkpoint.""" + + @abstractmethod + def update_state(self, state: dict[str, Any]) -> None: + """Update the agent state based on environment feedback.""" + + def step(self, state: dict[str, Any]) -> tuple[Composition, Structure]: + """Step the agent given the environment state.""" + # update the agent state given the environment state (e.g. last observation) + self.update_state(state) + # propose a composition and structure + return self.propose_composition_and_structure(state) + + def __call__(self, state: dict[str, Any]) -> tuple[Composition, Structure]: + """Call the agent given the environment state.""" + return self.step(state) + + +class WorkflowAgent(Agent): + """ + Agent using the planner → generator → filter → scorer workflow. + + This is the standard workflow for agents that: + 1. Plan which compositions to explore (Planner) + 2. Generate candidate structures (Generator) + 3. Filter invalid candidates (Filter) + 4. Score and select the best candidate (Scorer) + """ + + def __init__( + self, + planner: Planner, + generator: Generator, + scorer: Scorer | list[Scorer], + filter: Filter | list[Filter], + **kwargs: Any, + ): + super().__init__() + self.planner = planner + self.generator = generator + self.filter = normalize_component_list( + filter, "Filter", "FilterChain", "made.agents.filters.chain" + ) + self.scorer = normalize_component_list( + scorer, "Scorer", "ScorerChain", "made.agents.scorers.chain" + ) + + def get_state(self) -> dict[str, Any]: + """Get full agent state including all caches.""" + state = { + "planner": self.planner.get_state(), + "generator": self.generator.get_state(), + "filter": self.filter.get_state(), + "scorer": self.scorer.get_state(), + "last_step": self.last_step, + } + return state + + def load_state(self, state: dict[str, Any]) -> None: + """Load full agent state including all caches.""" + if "planner" in state and hasattr(self.planner, "load_state"): + self.planner.load_state(state["planner"]) + if "generator" in state and hasattr(self.generator, "load_state"): + self.generator.load_state(state["generator"]) + if "filter" in state and hasattr(self.filter, "load_state"): + self.filter.load_state(state["filter"]) + if "scorer" in state and hasattr(self.scorer, "load_state"): + self.scorer.load_state(state["scorer"]) + if "last_step" in state: + self.last_step = state["last_step"] + + def update_state(self, state: dict[str, Any]) -> None: + """Update the agent state.""" + action = self._update_last_step(state) + if action == "skip": + return + + # Update all components (on init or new step) + self.planner.update_state(state) + self.generator.update_state(state) + self.filter.update_state(state) + self.scorer.update_state(state) + + @abstractmethod + def propose_composition_and_structure( + self, state: dict[str, Any] + ) -> tuple[Composition, Structure]: + """Propose a composition and structure given the environment state.""" diff --git a/made/agents/filters/__init__.py b/made/agents/filters/__init__.py new file mode 100644 index 0000000..6a0842a --- /dev/null +++ b/made/agents/filters/__init__.py @@ -0,0 +1,13 @@ +from .chain import FilterChain +from .min_distance import MinDistanceFilter +from .noop import NoOpFilter +from .smact import SMACTValidityFilter +from .uniqueness import UniquenessFilter + +__all__ = [ + "FilterChain", + "MinDistanceFilter", + "NoOpFilter", + "SMACTValidityFilter", + "UniquenessFilter", +] diff --git a/made/agents/filters/chain.py b/made/agents/filters/chain.py new file mode 100644 index 0000000..dcabb2c --- /dev/null +++ b/made/agents/filters/chain.py @@ -0,0 +1,131 @@ +from typing import Any + +from pymatgen.core.structure import Structure + +from made.agents.base import Filter, FilterResult + + +class FilterChain(Filter): + """Chain multiple filters together, applying them sequentially. + + Filters are applied in the order they are provided. Each filter receives + the output of the previous filter as its input. + """ + + filter_name = "FilterChain" + + def __init__(self, filters: list[Filter]) -> None: + """Initialize the filter chain. + + Args: + filters: List of filters to apply in sequence. + """ + if not filters: + raise ValueError("FilterChain requires at least one filter") + self.filters = filters + + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Apply all filters and collect detailed results from each. + + Returns aggregated results showing which filter(s) rejected each structure. + A structure passes only if it passes ALL filters in the chain. + """ + # Track results per structure index across all filters + all_results_by_idx: dict[int, list[FilterResult]] = { + i: [] for i in range(len(candidates)) + } + + current_candidates = candidates + current_indices = list(range(len(candidates))) # Track original indices + + for filter_obj in self.filters: + # Get results from this filter + passed, filter_results = filter_obj.filter( + current_candidates, state, return_results=True + ) + + # Record results for structures that were tested + for idx, result in zip(current_indices, filter_results, strict=True): + all_results_by_idx[idx].append(result) + + # Track which structures pass to next filter + passed_set = {id(s) for s in passed} + new_candidates = [] + new_indices = [] + for cand, idx in zip(current_candidates, current_indices, strict=True): + if id(cand) in passed_set: + new_candidates.append(cand) + new_indices.append(idx) + + current_candidates = new_candidates + current_indices = new_indices + + # Build final results + final_passed = [] + final_results = [] + passed_indices = set(current_indices) + + for i, cand in enumerate(candidates): + filter_results = all_results_by_idx[i] + + if i in passed_indices: + final_passed.append(cand) + final_results.append( + FilterResult( + passed=True, + filter_name=self.filter_name, + details={ + "filter_results": [ + {"filter": r.filter_name, "passed": r.passed} + for r in filter_results + ] + }, + ) + ) + else: + rejection_reasons = [ + f"{r.filter_name}: {r.rejection_reason}" + for r in filter_results + if not r.passed and r.rejection_reason + ] + final_results.append( + FilterResult( + passed=False, + filter_name=self.filter_name, + rejection_reason=" | ".join(rejection_reasons) + if rejection_reasons + else "Rejected", + details={ + "filter_results": [ + { + "filter": r.filter_name, + "passed": r.passed, + "reason": r.rejection_reason, + } + for r in filter_results + ] + }, + ) + ) + + return final_passed, final_results + + def get_state(self) -> dict[str, Any]: + """Return the current state of all filters in the chain.""" + return {"filters": [f.get_state() for f in self.filters]} + + def load_state(self, state: dict[str, Any]) -> None: + """Load the state of all filters in the chain.""" + if "filters" in state: + for filter_obj, filter_state in zip( + self.filters, state["filters"], strict=True + ): + if hasattr(filter_obj, "load_state"): + filter_obj.load_state(filter_state) + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of all filters in the chain.""" + for filter_obj in self.filters: + filter_obj.update_state(state) diff --git a/made/agents/filters/min_distance.py b/made/agents/filters/min_distance.py new file mode 100644 index 0000000..5b0d3e6 --- /dev/null +++ b/made/agents/filters/min_distance.py @@ -0,0 +1,73 @@ +from typing import Any + +from pymatgen.core.structure import Structure + +from made.agents.base import Filter, FilterResult +from made.evaluation.metrics import is_min_distance_valid + + +class MinDistanceFilter(Filter): + """Filter that keeps only structures with minimum interatomic distance above threshold. + + This filter removes structures where atoms are too close together, which is + typically a sign of invalid or unrealistic structures. + """ + + filter_name = "MinDistance" + + def __init__(self, min_distance_threshold: float = 0.5) -> None: + """Initialize the min distance filter. + + Args: + min_distance_threshold: Minimum allowed interatomic distance in Angstroms. + Structures with minimum distance below this threshold are filtered out. + Default is 0.5 Angstroms. + """ + self.min_distance_threshold = min_distance_threshold + + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Filter with detailed min distance results.""" + passed = [] + results = [] + + for cand in candidates: + # Use existing function with return_distance=True + is_valid, min_dist = is_min_distance_valid( + cand, self.min_distance_threshold, return_distance=True + ) + + if is_valid: + passed.append(cand) + results.append( + FilterResult( + passed=True, + filter_name=self.filter_name, + details={ + "min_distance": min_dist, + "threshold": self.min_distance_threshold, + }, + ) + ) + else: + results.append( + FilterResult( + passed=False, + filter_name=self.filter_name, + rejection_reason=f"Min distance {min_dist:.3f} Å < threshold {self.min_distance_threshold:.3f} Å", + details={ + "min_distance": min_dist, + "threshold": self.min_distance_threshold, + }, + ) + ) + + return passed, results + + def get_state(self) -> dict[str, Any]: + """Return the current state of the filter.""" + return {"min_distance_threshold": self.min_distance_threshold} + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the filter (no-op for min distance filter).""" diff --git a/made/agents/filters/noop.py b/made/agents/filters/noop.py new file mode 100644 index 0000000..ad3f11b --- /dev/null +++ b/made/agents/filters/noop.py @@ -0,0 +1,34 @@ +from typing import Any + +from pymatgen.core.structure import Structure + +from made.agents.base import Filter, FilterResult + + +class NoOpFilter(Filter): + """No-op filter that returns all candidates unchanged. + + This filter does nothing - it's a pass-through filter for cases where + no filtering is desired. All candidate structures are returned as-is. + """ + + filter_name = "NoOp" + + def __init__(self) -> None: + """Initialize the no-op filter.""" + + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Return all candidates with passing results.""" + results = [ + FilterResult(passed=True, filter_name=self.filter_name) for _ in candidates + ] + return candidates, results + + def get_state(self) -> dict[str, Any]: + """Return the current state of the filter.""" + return {} + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the filter (no-op).""" diff --git a/made/agents/filters/smact.py b/made/agents/filters/smact.py new file mode 100644 index 0000000..439dff5 --- /dev/null +++ b/made/agents/filters/smact.py @@ -0,0 +1,58 @@ +from typing import Any + +from pymatgen.core.structure import Structure + +from made.agents.base import Filter, FilterResult +from made.evaluation.metrics import is_smact_valid + + +class SMACTValidityFilter(Filter): + """Filter that keeps only structures valid according to SMACT validity checks. + + This filter removes structures that fail chemical sanity checks such as + charge balance and electronegativity constraints. + """ + + filter_name = "SMACTValidity" + + def __init__(self) -> None: + """Initialize the SMACT validity filter.""" + + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Filter with detailed SMACT validity results.""" + passed = [] + results = [] + + for cand in candidates: + is_valid = is_smact_valid(cand) + comp = cand.composition.reduced_formula + + if is_valid: + passed.append(cand) + results.append( + FilterResult( + passed=True, + filter_name=self.filter_name, + details={"composition": comp}, + ) + ) + else: + results.append( + FilterResult( + passed=False, + filter_name=self.filter_name, + rejection_reason=f"SMACT invalid: {comp} fails charge balance or electronegativity checks", + details={"composition": comp}, + ) + ) + + return passed, results + + def get_state(self) -> dict[str, Any]: + """Return the current state of the filter.""" + return {} + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the filter (no-op for SMACT filter).""" diff --git a/made/agents/filters/uniqueness.py b/made/agents/filters/uniqueness.py new file mode 100644 index 0000000..57182d7 --- /dev/null +++ b/made/agents/filters/uniqueness.py @@ -0,0 +1,124 @@ +import logging +from typing import Any + +from pymatgen.analysis.phase_diagram import PDEntry +from pymatgen.analysis.structure_matcher import StructureMatcher +from pymatgen.core.structure import Structure + +from made.agents.base import Filter, FilterResult +from made.utils.convex_hull_utils import extract_structure_from_entry + +logger = logging.getLogger(__name__) + + +class UniquenessFilter(Filter): + """Filter that keeps only structures that are unique compared to already attempted structures. + + This filter removes structures that match (via StructureMatcher) any structure that has + already been attempted. All attempted structures are found in the observed phase diagram + entries in the state. + + Args: + ltol: Fractional length tolerance for structure matching (default: 0.2). + stol: Site tolerance for structure matching (default: 0.3). + angle_tol: Angle tolerance for structure matching in degrees (default: 5.0). + primitive_cell: If True, use primitive cell for matching (default: True). + """ + + filter_name = "Uniqueness" + + def __init__( + self, + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + primitive_cell: bool = True, + ) -> None: + """Initialize the uniqueness filter.""" + self.structure_matcher = StructureMatcher( + ltol=ltol, + stol=stol, + angle_tol=angle_tol, + primitive_cell=primitive_cell, + ) + + def _filter_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[Structure], list[FilterResult]]: + """Filter with detailed uniqueness results.""" + reference_structures = self._get_reference_structures(state) + + if not reference_structures: + results = [ + FilterResult( + passed=True, + filter_name=self.filter_name, + details={"num_references": 0}, + ) + for _ in candidates + ] + return candidates, results + + passed = [] + results = [] + + for candidate in candidates: + matching_ref = None + for ref_struct in reference_structures: + try: + if self.structure_matcher.fit(candidate, ref_struct): + matching_ref = ref_struct + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {candidate.composition} and {ref_struct.composition}: {e}" + ) + + if matching_ref is None: + passed.append(candidate) + results.append( + FilterResult( + passed=True, + filter_name=self.filter_name, + details={"num_references": len(reference_structures)}, + ) + ) + else: + ref_comp = matching_ref.composition.reduced_formula + cand_comp = candidate.composition.reduced_formula + results.append( + FilterResult( + passed=False, + filter_name=self.filter_name, + rejection_reason=f"Matches existing structure ({cand_comp} ~ {ref_comp})", + details={ + "num_references": len(reference_structures), + "matching_composition": ref_comp, + }, + ) + ) + + return passed, results + + def _get_reference_structures(self, state: dict[str, Any]) -> list[Structure]: + """Extract reference structures from state.""" + reference_structures = [] + + phase_diagram_entries = state.get("phase_diagram_all_entries", []) + if not phase_diagram_entries: + return reference_structures + + entries = [PDEntry.from_dict(e) for e in phase_diagram_entries] + for entry in entries: + structure = extract_structure_from_entry(entry) + if structure is not None: + reference_structures.append(structure) + + return reference_structures + + def get_state(self) -> dict[str, Any]: + """Return the current state of the filter.""" + return {} + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of the filter (no-op for uniqueness filter).""" diff --git a/made/agents/generators/__init__.py b/made/agents/generators/__init__.py new file mode 100644 index 0000000..3d9df68 --- /dev/null +++ b/made/agents/generators/__init__.py @@ -0,0 +1,9 @@ +from .cached import CachedGenerator +from .chemeleon import ChemeleonGenerator +from .random import RandomGenerator + +__all__ = [ + "RandomGenerator", + "ChemeleonGenerator", + "CachedGenerator", +] diff --git a/made/agents/generators/cached.py b/made/agents/generators/cached.py new file mode 100644 index 0000000..5c81145 --- /dev/null +++ b/made/agents/generators/cached.py @@ -0,0 +1,290 @@ +""" +Cached Generator that generates and caches candidates upfront. + +On first generation, generates many candidates using a base generator and caches them. +Subsequent calls return the same cached candidates (excluding already-selected ones). +""" + +import logging +import random +from typing import Any + +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from ...utils.structure_hash import structure_hash +from ..base import Generator, Plan + +logger = logging.getLogger(__name__) + + +class CachedGenerator(Generator): + """ + Generator that generates candidates once and caches them for reuse. + + Generates candidates only on the first call, then returns the same cached candidates + on subsequent calls (excluding already-selected ones that have been removed from cache). + + Supports two modes: + - Per-composition: Separate candidate cache per composition + - Global: Single candidate cache across all compositions + + Args: + base_generator: Base generator to use for creating candidates de novo + num_initial_candidates: Number of candidates to generate and cache initially + cache_by_composition: If True, maintain separate cache per composition. + If False, maintain single global cache. + """ + + def __init__( + self, + base_generator: Generator, + num_initial_candidates: int = 100, + cache_by_composition: bool = True, + **kwargs, # Absorb extra parameters from Hydra config merging + ) -> None: + self.base_generator = base_generator + self.num_initial_candidates = num_initial_candidates + self.cache_by_composition = cache_by_composition + + # Cache: composition formula -> list[tuple[Structure, str]] (per-composition mode) + # or None -> list[tuple[Structure, str]] (global mode) + # Each tuple contains (structure, precomputed_hash) to avoid redundant hash computations + self._cached_candidates: dict[str | None, list[tuple[Structure, str]]] = {} + + # Track selected structures: set of structure hashes + # Used to filter out already-selected structures from cache + self._selected_hashes: set[str] = set() + + def get_state(self) -> dict[str, Any]: + """Return generator state including full cache.""" + # Serialize cached candidates: convert Structure objects to dicts + cached_candidates_serialized: dict[ + str | None, list[tuple[dict[str, Any], str]] + ] = {} + for key, candidates in self._cached_candidates.items(): + cached_candidates_serialized[key] = [ + (struct.as_dict(), hash_val) for struct, hash_val in candidates + ] + + state: dict[str, Any] = { + "cached_candidates": cached_candidates_serialized, # Full cache for checkpointing + "selected_hashes": list( + self._selected_hashes + ), # Convert set to list for JSON serialization + } + + # Include base generator state + base_state = self.base_generator.get_state() + if base_state: + state["base_generator"] = base_state + + return state + + def load_state(self, state: dict[str, Any]) -> None: + """Load generator state including full cache.""" + if "cached_candidates" in state: + # Deserialize cached candidates: convert dicts back to Structure objects + from pymatgen.core.structure import Structure + + cached_candidates_serialized = state["cached_candidates"] + self._cached_candidates = {} + for key, candidates_serialized in cached_candidates_serialized.items(): + self._cached_candidates[key] = [ + (Structure.from_dict(struct_dict), hash_val) + for struct_dict, hash_val in candidates_serialized + ] + if "selected_hashes" in state: + self._selected_hashes = set(state["selected_hashes"]) + + # Load base generator state if present + if "base_generator" in state and hasattr(self.base_generator, "load_state"): + self.base_generator.load_state(state["base_generator"]) + + def update_state(self, state: dict[str, Any]) -> None: + """Update generator state and remove selected structures from cache.""" + self.base_generator.update_state(state) + + # Remove selected structure from cache if present + last_obs = state.get("last_observation") + if last_obs: + structure = Structure.from_dict(last_obs["proposal"]) + structure_hash_key = structure_hash(structure) + + # Add to selected set + self._selected_hashes.add(structure_hash_key) + + # Remove from all caches + removed_count = 0 + for cache_key in list(self._cached_candidates.keys()): + candidates = self._cached_candidates[cache_key] + original_count = len(candidates) + + # Filter out structures matching the selected hash using precomputed hashes + remaining = [ + (s, hash_val) + for s, hash_val in candidates + if hash_val != structure_hash_key + ] + + if len(remaining) < original_count: + removed_count += original_count - len(remaining) + if remaining: + self._cached_candidates[cache_key] = remaining + else: + # Cache exhausted for this key + del self._cached_candidates[cache_key] + logger.info( + f"Cache exhausted for {cache_key or 'global mode'} " + f"after removing selected structure" + ) + + if removed_count > 0: + logger.info( + f"Removed {removed_count} selected structure(s) from cache " + f"(selected hash: {structure_hash_key[:8]}...)" + ) + + def generate(self, plan: Plan, state: dict[str, Any]) -> list[Structure]: + """ + Generate candidates from cache, or generate and cache if first time. + + Returns all remaining cached candidates (excluding already-selected ones). + Selected structures are removed from cache in update_state(). + + Returns: + List of all remaining structures in cache (excluding selected ones) + """ + if not plan.compositions: + return [] + + structures: list[Structure] = [] + + if self.cache_by_composition: + # Per-composition mode: cache separately for each composition + for composition in plan.compositions: + comp_formula = composition.formula + cached = self._get_or_generate_candidates( + composition, comp_formula, state, plan + ) + + # Return all remaining candidates (excluding selected ones) + remaining = self._get_remaining_candidates(cached) + structures.extend(remaining) + else: + # Global mode: single cache for all compositions + # Use None as the key for global cache + cached = self._get_or_generate_candidates(None, None, state, plan) + + # Return all remaining candidates (excluding selected ones) + remaining = self._get_remaining_candidates(cached) + structures.extend(remaining) + + return structures + + def _get_or_generate_candidates( + self, + composition: Composition | None, + cache_key: str | None, + state: dict[str, Any], + plan: Plan, + ) -> list[tuple[Structure, str]]: + """ + Get cached candidates or generate and cache if first time. + + Args: + composition: Composition to generate for (or None for global mode) + cache_key: Key for cache (composition formula or None) + state: Current state + plan: Current plan (needed for global mode to get compositions) + + Returns: + List of cached candidates as tuples of (structure, precomputed_hash) + """ + if cache_key in self._cached_candidates: + return self._cached_candidates[cache_key] + + # First time: generate candidates using base generator + logger.info( + f"Generating {self.num_initial_candidates} initial candidates" + f"{f' for {composition.formula}' if composition else ' (global mode)'}" + ) + + # Create a plan for the base generator + if composition: + base_plan = Plan( + compositions=[composition], + num_candidates=self.num_initial_candidates, + ) + else: + # Global mode: generate candidates for all compositions in the plan + # Distribute num_initial_candidates across all compositions + if not plan.compositions: + raise ValueError( + "Global mode requires compositions to be specified in the plan" + ) + + # If more compositions than initial candidates, randomly sample compositions + if len(plan.compositions) > self.num_initial_candidates: + logger.info( + f"More compositions ({len(plan.compositions)}) than initial candidates " + f"({self.num_initial_candidates}). Randomly sampling compositions." + ) + sampled_compositions = random.sample( + plan.compositions, self.num_initial_candidates + ) + base_plan = Plan( + compositions=sampled_compositions, + num_candidates=1, # Generate 1 candidate per sampled composition + ) + else: + # Distribute num_initial_candidates across all compositions + num_per_composition = max( + 1, self.num_initial_candidates // len(plan.compositions) + ) + base_plan = Plan( + compositions=plan.compositions, + num_candidates=num_per_composition, + ) + + candidates = self.base_generator.generate(base_plan, state) + + if not candidates: + raise RuntimeError( + f"Base generator produced no candidates for {composition.formula if composition else 'global mode'}" + ) + + # Pre-compute hashes and cache candidates with their hashes + cached_with_hashes = [(s, structure_hash(s)) for s in candidates] + self._cached_candidates[cache_key] = cached_with_hashes + + logger.info( + f"Cached {len(candidates)} candidates" + f"{f' for {composition.formula}' if composition else ' (global mode)'}" + ) + + return cached_with_hashes + + def _get_remaining_candidates( + self, cached: list[tuple[Structure, str]] + ) -> list[Structure]: + """ + Get all remaining candidates from cache (excluding already-selected ones). + + Args: + cached: List of cached candidates as tuples of (structure, precomputed_hash) + + Returns: + List of remaining candidates (excluding selected ones) + """ + remaining = [ + s for s, hash_val in cached if hash_val not in self._selected_hashes + ] + + if len(remaining) < len(cached): + logger.info( + f"Filtered out {len(cached) - len(remaining)} already-selected candidates " + f"from {len(cached)} total cached" + ) + + return remaining diff --git a/made/agents/generators/chemeleon.py b/made/agents/generators/chemeleon.py new file mode 100644 index 0000000..5ee084d --- /dev/null +++ b/made/agents/generators/chemeleon.py @@ -0,0 +1,148 @@ +from __future__ import annotations + +import logging +import tempfile +from pathlib import Path +from typing import Any + +from pymatgen.core.structure import Structure + +from ..base import Generator, Plan + +logger = logging.getLogger(__name__) + + +class ChemeleonGenerator(Generator): + def __init__( + self, + task: str = "csp", + batch_size: int = 32, + device: str = "cuda", + num_atom_distribution: str | dict[int, float] | None = None, + output_dir: str | None = None, + **kwargs, # Absorb extra parameters from Hydra config merging + ) -> None: + """ + Initialize ChemeleonGenerator. + + Args: + task: Task type - "csp" (Crystal Structure Prediction) or "dng" (De Novo Generation) + batch_size: Batch size for generation + device: Device to use ("cpu" or "cuda") + num_atom_distribution: Distribution for number of atoms (DNG only), e.g., "mp-20" + output_dir: Optional output directory for CIF files + """ + self.task = task + self.batch_size = batch_size + self.device = device + self.num_atom_distribution = num_atom_distribution + self.output_dir = output_dir + self.dm = None + + def get_state(self) -> dict[str, Any]: + return {} + + def update_state(self, state: dict[str, Any]) -> None: + pass + + def setup(self) -> None: + """Initialize the diffusion model.""" + if self.dm is not None: + return + + from chemeleon_dng import sample + from chemeleon_dng.diffusion.diffusion_module import DiffusionModule + from chemeleon_dng.download_util import get_checkpoint_path + + model_path = get_checkpoint_path(self.task, sample.DEFAULT_MODEL_PATH) + self.dm = DiffusionModule.load_from_checkpoint( + model_path, map_location=self.device + ) + logger.info(f"Loaded Chemeleon model from {model_path}") + + def generate(self, plan: Plan, state: dict[str, Any]) -> list[Structure]: + """ + Generate crystal structures using Chemeleon. + + Args: + plan: Plan containing compositions and number of candidates + state: Current state dictionary + + Returns: + List of pymatgen Structure objects + """ + # Ensure model is loaded + if self.dm is None: + self.setup() + + from chemeleon_dng import sample as sample_mod + + with tempfile.TemporaryDirectory(prefix="chemeleon_samples_") as tmpdir: + out_dir = Path(tmpdir) if self.output_dir is None else Path(self.output_dir) + out_dir.mkdir(parents=True, exist_ok=True) + + num_samples = max(int(plan.num_candidates), 1) + + if self.task == "csp": + if not hasattr(sample_mod, "sample_csp"): + raise RuntimeError( + "chemeleon_dng.sample.sample_csp not available in this version" + ) + + if not plan.compositions: + raise ValueError("CSP task requires compositions in the plan") + + formulas = [str(c) for c in plan.compositions] + samples_per_formula = num_samples // len(formulas) or 1 + + logger.info( + f"Running Chemeleon CSP with formulas: {formulas}, " + f"{samples_per_formula} samples per formula" + ) + + sample_mod.sample_csp( + dm=self.dm, + formulas=formulas, + num_samples=samples_per_formula, + batch_size=self.batch_size, + output_path=out_dir, + ) + + elif self.task == "dng": + if not hasattr(sample_mod, "sample_dng"): + raise RuntimeError( + "chemeleon_dng.sample.sample_dng not available in this version" + ) + + logger.info( + f"Running Chemeleon DNG with {num_samples} samples, " + f"batch_size={self.batch_size}" + ) + + sample_mod.sample_dng( + dm=self.dm, + num_samples=num_samples, + batch_size=self.batch_size, + output_path=out_dir, + num_atom_distribution=self.num_atom_distribution or "mp-20", + ) + + else: + raise ValueError(f"Unknown task: {self.task}. Must be 'csp' or 'dng'") + + # Read generated CIF files + cif_paths = sorted(out_dir.rglob("*.cif")) + if not cif_paths: + raise RuntimeError(f"No CIF files found in {out_dir}") + + structures = [] + for cif in cif_paths: + try: + structure = Structure.from_file(str(cif)) + structures.append(structure) + except Exception as e: + logger.warning(f"Failed to read {cif} as a CIF file: {e}") + continue + + logger.info(f"Loaded {len(structures)} structures from {out_dir}") + return structures diff --git a/made/agents/generators/random.py b/made/agents/generators/random.py new file mode 100644 index 0000000..1dc954d --- /dev/null +++ b/made/agents/generators/random.py @@ -0,0 +1,89 @@ +""" +Random Structure Generator +""" + +import random +from collections.abc import Sequence +from typing import Any + +from pymatgen.core.composition import Composition +from pymatgen.core.lattice import Lattice +from pymatgen.core.structure import Structure + +from ..base import Generator, Plan + + +class RandomGenerator(Generator): + """Generate random crystal structures for provided compositions. + + If the `Plan` includes compositions, one structure is generated per requested + candidate by cycling through provided compositions. If no compositions are + given, a fallback composition is constructed using one atom of each element + provided by the environment state under key `elements`. + """ + + def __init__( + self, + seed: int | None = None, + lattice_length_range: tuple[float, float] = (3.0, 15.0), + lattice_angle_range: tuple[float, float] = (60.0, 120.0), + **kwargs, # Absorb extra parameters from Hydra config merging + ) -> None: + self._rng = random.Random(seed) + self._len_range = lattice_length_range + self._ang_range = lattice_angle_range + + def get_state(self) -> dict[str, Any]: + """Get state for checkpointing.""" + return {} + + def load_state(self, state: dict[str, Any]) -> None: + """Load state from checkpoint.""" + + def update_state(self, state: dict[str, Any]) -> None: + pass + + def generate(self, plan: Plan, state: dict[str, Any]) -> list[Structure]: + num = max(int(plan.num_candidates), 1) + compositions: list[Composition] = list(plan.compositions) + + # Fallback composition if none provided in plan + if not compositions: + elements: Sequence[str] = state.get("elements", []) + if not elements: + raise ValueError( + "RandomGenerator requires 'elements' in state when plan.compositions is empty" + ) + fallback = Composition(dict.fromkeys(elements, 1)) + compositions = [fallback] + + structures: list[Structure] = [] + for comp in compositions: + for _ in range(num): + structures.append(self._random_structure_from_composition(comp)) + return structures + + def _random_structure_from_composition(self, composition: Composition) -> Structure: + a = self._rng.uniform(*self._len_range) + b = self._rng.uniform(*self._len_range) + c = self._rng.uniform(*self._len_range) + alpha = self._rng.uniform(*self._ang_range) + beta = self._rng.uniform(*self._ang_range) + gamma = self._rng.uniform(*self._ang_range) + + lattice = Lattice.from_parameters(a, b, c, alpha, beta, gamma) + + species: list[str] = [] + coords: list[list[float]] = [] + for element, amount in composition.items(): + for _ in range(int(amount)): + species.append(str(element)) + coords.append( + [ + self._rng.random(), + self._rng.random(), + self._rng.random(), + ] + ) + + return Structure(lattice, species, coords) diff --git a/made/agents/llm_react_orchestrator.py b/made/agents/llm_react_orchestrator.py new file mode 100644 index 0000000..d1d83ce --- /dev/null +++ b/made/agents/llm_react_orchestrator.py @@ -0,0 +1,1378 @@ +""" +LLM ReAct Orchestrator Agent - Flexible LLM agent that orchestrates generators, filters, and scorers. + +This agent uses DSPy's ReAct to decide what actions to take at each iteration: +- Generate structures using various generators (with filtering) +- Score structures using various scorers +- Query buffer for candidates (topk, diverse, by composition) +- Select structures for oracle evaluation + +Key features: +- Maintains a buffer of pre-validated structures from generators +- All generated structures are filtered before adding to buffer +- Uniqueness filter is always re-run on new generations +- Full history of oracle evaluations available to LLM +- Caching of structure hashes to avoid duplicate processing +- Flexible buffer queries (topk, bottomk, diverse compositions) +""" + +import logging +from typing import Any + +import dspy +import numpy as np +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from made.agents.base import Agent, Filter, Generator, Plan, Scorer +from made.utils.structure_hash import structure_hash + +logger = logging.getLogger(__name__) + + +# ============================================================================ +# DSPy Signature for ReAct Orchestration (default, can be overridden via config) +# ============================================================================ + + +class OrchestratorReActSignature(dspy.Signature): + """ + You are an autonomous materials discovery agent. + + OBJECTIVE: Find as many NOVEL, UNIQUE, STABLE (or metastable) structures as possible. Use the available tools, then select ONE composition + structure for oracle evaluation. + + - Structures with e_above_hull <= stability_tolerance are stable/metastable (SUCCESS!) + - Entries marked [STABLE, NOVEL] in evaluation_history are successful discoveries + - We want to MAXIMIZE the number of novel stable structures found + + IMPORTANT: Different structures for the SAME composition can have DIFFERENT stabilities. + - One unstable structure for a composition does NOT mean all structures for that composition are unstable. + - Generators produce many different structures for the same composition + + UNIT CELL SIZE MATTERS: + - Compositions are stored by REDUCED formula (e.g., Li2O) + - But you can generate different UNIT CELL SIZES: Li2O, Li4O2, Li6O3, etc. + - These occupy the same position on the phase diagram but are different structures + - Different unit cell sizes often have different stabilities + + BUFFER ORGANIZATION: + - Buffer is organized by reduced formula: {composition: [structures]} + - Each structure shows its full formula (unit cell size) and index + - Selection is two-step: pick composition, then pick structure index + + WORKFLOW: + 1. Decide which composition(s) to explore based on evaluation history + 2. Generate/create candidate structures for those compositions + 3. Score candidates if needed to prioritize within each composition + 4. List compositions and query structures to decide what to evaluate + 5. Select ONE composition + structure for oracle evaluation + + STRATEGY GUIDANCE: + - If buffer empty/small: Generate more structures (diverse compositions OR more for promising ones) + - If buffer has candidates: Score them, query compositions, select best + - Balance exploration (new compositions) vs exploitation (more structures for successful compositions) + """ + + chemical_system: str = dspy.InputField(desc="Allowed elements (e.g., 'Li, O')") + stability_tolerance: float = dspy.InputField( + desc="e_above_hull threshold for stability" + ) + max_stoichiometry: int = dspy.InputField(desc="Maximum atoms per structure") + buffer_summary: str = dspy.InputField( + desc="Summary of unevaluated candidate buffer" + ) + evaluation_history: str = dspy.InputField( + desc="History of oracle evaluations with results" + ) + known_stable_materials: str = dspy.InputField( + desc="Known stable materials from phase diagram" + ) + + answer: str = dspy.OutputField( + desc="Summary of actions taken and final selection rationale" + ) + + +# ============================================================================ +# Tool Classes for the Orchestrator +# ============================================================================ + + +class OrchestratorTools: + """Tools for the LLM ReAct Orchestrator to use. + + Buffer is organized by composition: {composition: [structure_entries]} + This enables natural two-step selection: pick composition, then pick structure. + """ + + def __init__( + self, + generators: dict[str, Generator], + static_filter: Filter | None, + uniqueness_filter: Filter | None, + scorers: dict[str, Scorer], + chemical_system_elements: list[str], + max_stoichiometry: int, + buffer: dict[ + str, list[dict[str, Any]] + ], # composition -> list of structure entries + structure_cache: dict[str, dict[str, Any]], + state: dict[str, Any], + ): + self.generators = generators + self.static_filter = static_filter + self.uniqueness_filter = uniqueness_filter + self.scorers = scorers + self.chemical_system_elements = chemical_system_elements + self.max_stoichiometry = max_stoichiometry + self.buffer = buffer # Now a dict: composition -> list of entries + self.structure_cache = structure_cache + self.state = state + self._selected_structure: Structure | None = None + self._selection_reason: str = "" + + def generate_structures( + self, + generator_name: str, + compositions: str = "", + num_candidates: int = 10, + ) -> str: + """Generate new candidate structures using a specified generator. + + Structures are automatically filtered (distance, SMACT, etc.) before adding to buffer. + Uniqueness filter is always applied to remove duplicates of existing structures. + + Args: + generator_name: Name of generator to use - one of 'chemeleon' (a generative model trained on stable structures), 'random' (a random structure generator) + compositions: Comma-separated compositions with unit cell size (e.g., 'Li2O, Li4O2, LiO2'). + Different unit cell sizes (Li2O vs Li4O2) represent different structure sizes + but occupy the same position on the phase diagram (both reduce to Li2O). + Generators create different structures for different unit cell sizes. + num_candidates: Number of candidates to generate per composition + + Returns: + Summary of generated and filtered structures + """ + if generator_name not in self.generators: + available = list(self.generators.keys()) + return ( + f"Error: Generator '{generator_name}' not found. Available: {available}" + ) + + generator = self.generators[generator_name] + + # Parse compositions + comp_list = [] + if compositions.strip(): + for comp_str in compositions.split(","): + comp_str = comp_str.strip() + if comp_str: + try: + comp = Composition(comp_str) + for el in comp.elements: + if str(el) not in self.chemical_system_elements: + return f"Error: Element {el} not in allowed elements {self.chemical_system_elements}" + comp_list.append(comp) + except Exception as e: + return f"Error parsing composition '{comp_str}': {e}" + + if not comp_list: + logger.warning(f"No compositions provided for generator {generator_name}") + + return f"No compositions provided for generator {generator_name}" + + plan = Plan( + compositions=comp_list, + num_candidates=num_candidates, + constraints={ + "elements": self.chemical_system_elements, + "max_stoichiometry": self.max_stoichiometry, + }, + ) + + try: + structures = generator.generate(plan, self.state) + + if not structures: + return f"Generator {generator_name} produced no structures." + + # Filter and add to buffer + added_count = 0 + filtered_out = {"duplicate": 0, "cached": 0, "static_filter": 0} + + for structure in structures: + struct_hash = structure_hash(structure) + + # Check cache + if struct_hash in self.structure_cache: + filtered_out["cached"] += 1 + continue + + # Run static filter chain + if self.static_filter is not None: + try: + passed, _ = self.static_filter.filter( + [structure], self.state, return_results=True + ) + if not passed: + filtered_out["static_filter"] += 1 + continue + except Exception as e: + logger.warning(f"Static filter failed: {e}") + filtered_out["static_filter"] += 1 + continue + + # Run uniqueness filter (always re-run) + if self.uniqueness_filter is not None: + try: + passed, _ = self.uniqueness_filter.filter( + [structure], self.state, return_results=True + ) + if not passed: + filtered_out["duplicate"] += 1 + continue + except Exception as e: + logger.warning(f"Uniqueness filter failed: {e}") + + # Add to buffer and cache + comp = structure.composition.reduced_formula + full_formula = structure.composition.formula.replace(" ", "") + entry = { + "structure": structure, + "hash": struct_hash, + "composition": comp, # Reduced formula (e.g., Li2O) + "full_formula": full_formula, # Full formula (e.g., Li4O2) + "source": generator_name, + "scores": {}, + "num_sites": len(structure), + } + # Add to composition-based buffer (keyed by reduced formula) + if comp not in self.buffer: + self.buffer[comp] = [] + self.buffer[comp].append(entry) + self.structure_cache[struct_hash] = entry + added_count += 1 + + # Build summary + total_count = sum(len(entries) for entries in self.buffer.values()) + msg_parts = [f"Generated {len(structures)} using {generator_name}."] + msg_parts.append( + f"Added {added_count} to buffer ({total_count} total, {len(self.buffer)} compositions)." + ) + + if filtered_out["cached"]: + msg_parts.append(f"Cached: {filtered_out['cached']}.") + if filtered_out["duplicate"]: + msg_parts.append(f"Duplicates: {filtered_out['duplicate']}.") + if filtered_out["static_filter"]: + msg_parts.append(f"Filter failures: {filtered_out['static_filter']}.") + + msg = " ".join(msg_parts) + logger.info(f"[Tool] {msg}") + return msg + + except Exception as e: + logger.error(f"[Tool] Generation failed: {e}") + return f"Error during generation: {e}" + + def score_buffer(self, scorer_name: str, composition: str = "") -> str: + """Score candidates in the buffer using a specified scorer. + + Args: + scorer_name: Name of scorer to use (e.g., 'diversity', 'oracle') + composition: Optional composition to score (if empty, scores all) + + Returns: + Summary of scoring results with top candidates per composition + """ + if scorer_name not in self.scorers: + available = list(self.scorers.keys()) + return f"Error: Scorer '{scorer_name}' not found. Available: {available}" + + if not self.buffer: + return "Buffer is empty, nothing to score." + + scorer = self.scorers[scorer_name] + + try: + # Collect structures to score + to_score_comps = [composition] if composition else list(self.buffer.keys()) + total_scored = 0 + + for comp in to_score_comps: + if comp not in self.buffer: + continue + + entries = self.buffer[comp] + structures = [e["structure"] for e in entries] + + scores, results = scorer.score_candidates( + structures, self.state, return_results=True + ) + + # Store scores in entries + for entry, score in zip(entries, scores, strict=True): + entry["scores"][scorer_name] = score + + # Sort entries by score (descending) within composition + self.buffer[comp].sort( + key=lambda e: e["scores"].get(scorer_name, float("-inf")), + reverse=True, + ) + total_scored += len(entries) + + # Build summary showing top structures per composition + lines = [f"Scored {total_scored} structures with '{scorer_name}'."] + lines.append("Top structures per composition:") + for comp in sorted(to_score_comps): + if comp not in self.buffer: + continue + entries = self.buffer[comp] + if entries and scorer_name in entries[0].get("scores", {}): + top_score = entries[0]["scores"][scorer_name] + lines.append( + f" {comp}: {len(entries)} structures, best score={top_score:.4f}" + ) + + msg = "\n".join(lines) + logger.info(f"[Tool] {msg}") + return msg + + except Exception as e: + logger.error(f"[Tool] Scoring failed: {e}") + return f"Error during scoring: {e}" + + def list_compositions( + self, + k: int = 10, + mode: str = "top", + scorer_name: str = "", + ) -> str: + """List compositions in the buffer with structure counts and optional scoring. + + Use this to see what compositions are available and their characteristics. + + Args: + k: Number of compositions to show + mode: Query mode: + - 'top': Highest scoring compositions (requires scorer_name, default) + - 'bottom': Lowest scoring compositions (requires scorer_name) + - 'random': Random sample (no scorer needed) + - 'count': By structure count (most structures first) + scorer_name: Scorer to rank compositions by best structure score (required for top/bottom) + + Returns: + List of compositions with counts and optional best scores + + Examples: + - list_compositions(k=5, mode='count') + → Top 5 compositions by structure count + - list_compositions(k=10, mode='top', scorer_name='oracle') + → Top 10 compositions by best oracle score + - list_compositions(k=3, mode='bottom', scorer_name='diversity') + → Bottom 3 (least diverse) compositions + - list_compositions(k=5, mode='random') + → Random 5 compositions + """ + if not self.buffer: + return "Buffer is empty." + + comp_info = [] + for comp, entries in self.buffer.items(): + info = { + "composition": comp, + "count": len(entries), + "best_score": None, + } + + if scorer_name and entries: + # Get best score for this composition + scores = [ + e["scores"].get(scorer_name) + for e in entries + if scorer_name in e.get("scores", {}) + ] + if scores: + info["best_score"] = max(scores) + + comp_info.append(info) + + # Sort or sample based on mode + if mode in ["top", "bottom"]: + if not scorer_name: + return f"Error: mode '{mode}' requires scorer_name." + # Check if any composition has scores + if not any(info["best_score"] is not None for info in comp_info): + return f"No compositions scored with '{scorer_name}'. Run score_buffer first." + reverse = mode == "top" + comp_info.sort( + key=lambda x: x["best_score"] + if x["best_score"] is not None + else float("-inf"), + reverse=reverse, + ) + elif mode == "random": + np.random.shuffle(comp_info) + else: # mode == "count" or any other value + comp_info.sort(key=lambda x: x["count"], reverse=True) + + # Format output + total_structures = sum(info["count"] for info in comp_info) + mode_desc = f"by {mode}" if mode != "count" else "by count" + if mode in ["top", "bottom"] and scorer_name: + mode_desc = f"{mode} by {scorer_name}" + + lines = [ + f"Buffer: {total_structures} structures across {len(self.buffer)} compositions" + ] + lines.append(f"Showing {min(k, len(comp_info))} compositions ({mode_desc}):") + + for i, info in enumerate(comp_info[:k]): + score_str = ( + f", best_{scorer_name}={info['best_score']:.4f}" + if info["best_score"] is not None + else "" + ) + lines.append( + f" {i + 1}. {info['composition']}: {info['count']} structures{score_str}" + ) + + msg = "\n".join(lines) + logger.info(f"[Tool] {msg}") + return msg + + def query_structures( + self, + composition: str, + k: int = 5, + mode: str = "top", + scorer_name: str = "", + include_structure_details: bool = False, + ) -> str: + """Query structures within a specific composition. + + Retrieve structures to help decide which one to select for evaluation. + The index shown can be used directly in select_for_evaluation. + + Args: + composition: Composition to query (e.g., 'Li2O') + k: Number of structures to return + mode: Query mode: + - 'top': Highest scores (requires scorer_name, default) + - 'bottom': Lowest scores (requires scorer_name) + - 'random': Random sample (no scorer needed) + - 'all': All structures in order (no sorting) + scorer_name: Scorer to use for ranking (required for top/bottom modes) + include_structure_details: If True, includes full structure (lattice, species, positions) + + Returns: + List of structures with indices, scores, and optional structural details + + Examples: + - query_structures('Li2O', k=3, mode='top', scorer_name='oracle') + → Top 3 structures for Li2O by oracle score + - query_structures('Li2O', k=5, mode='bottom', scorer_name='diversity') + → Bottom 5 (least diverse) Li2O structures + - query_structures('LiO2', k=2, mode='random') + → Random 2 structures from LiO2 + - query_structures('Li2O', k=10, mode='all', include_structure_details=True) + → All Li2O structures with lattice info + """ + if not self.buffer: + return "Buffer is empty." + + comp = composition.strip() + if comp not in self.buffer: + available = list(self.buffer.keys())[:10] + return f"No structures for composition '{comp}'. Available: {available}" + + entries = self.buffer[comp].copy() + + # Sort or sample based on mode + if mode in ["top", "bottom"]: + if not scorer_name: + return f"Error: mode '{mode}' requires scorer_name." + if not entries[0].get("scores", {}).get(scorer_name): + return f"Structures not scored with '{scorer_name}'. Run score_buffer first." + # Sort by score + reverse = mode == "top" + sorted_entries = sorted( + entries, + key=lambda e: e["scores"].get(scorer_name, float("-inf")), + reverse=reverse, + ) + elif mode == "random": + sorted_entries = entries.copy() + np.random.shuffle(sorted_entries) + else: # mode == "all" or any other value + sorted_entries = entries + + # Format output - show full formula to indicate unit cell size + lines = [f"Structures for {comp} (reduced formula): {len(entries)} total"] + for i, entry in enumerate(sorted_entries[:k]): + full_formula = entry.get("full_formula", comp) + score_str = ", ".join( + f"{s}={v:.4f}" for s, v in entry.get("scores", {}).items() + ) + + structure_info = f" {i}. {full_formula} [{entry['num_sites']} sites, {entry['source']}]{': ' + score_str if score_str else ''}" + + # Add full structural details if requested + if include_structure_details: + structure = entry["structure"] + # Use pymatgen's string representation for complete structural info + struct_str = str(structure) + # Indent each line for better formatting + indented_struct = "\n ".join(struct_str.split("\n")) + structure_info += f"\n {indented_struct}" + + lines.append(structure_info) + + msg = "\n".join(lines) + logger.info(f"[Tool] {msg}") + return msg + + def get_buffer_stats(self) -> str: + """Get detailed statistics about the current buffer. + + Returns: + Summary: total count, compositions, sources, score ranges + """ + if not self.buffer: + return "Buffer is empty. Use generate_structures or create_structure to add candidates." + + # Count totals + total_structures = sum(len(entries) for entries in self.buffer.values()) + num_compositions = len(self.buffer) + + # Sources + sources = {} + for entries in self.buffer.values(): + for entry in entries: + src = entry.get("source", "unknown") + sources[src] = sources.get(src, 0) + 1 + + # Score stats + score_stats = {} + for entries in self.buffer.values(): + for entry in entries: + for scorer_name, score in entry.get("scores", {}).items(): + if scorer_name not in score_stats: + score_stats[scorer_name] = [] + score_stats[scorer_name].append(score) + + lines = [ + f"Buffer: {total_structures} structures across {num_compositions} compositions", + f" Sources: {sources}", + " Top compositions by count:", + ] + + # Sort compositions by count + sorted_comps = sorted( + self.buffer.items(), key=lambda x: len(x[1]), reverse=True + )[:5] + for comp, entries in sorted_comps: + lines.append(f" {comp}: {len(entries)} structures") + if len(self.buffer) > 5: + lines.append(f" ... +{len(self.buffer) - 5} more compositions") + + if score_stats: + lines.append(" Score ranges:") + for scorer_name, scores in score_stats.items(): + lines.append( + f" {scorer_name}: min={min(scores):.4f}, max={max(scores):.4f}, mean={np.mean(scores):.4f}" + ) + + msg = "\n".join(lines) + logger.info(f"[Tool] {msg}") + return msg + + def select_for_evaluation( + self, + composition: str, + structure_index: int = 0, + scorer_name: str = "", + reason: str = "", + ) -> str: + """Select a structure for oracle evaluation (two-step: composition then structure). + + This is the final action - selects ONE structure for ground-truth evaluation. + + Args: + composition: Composition to select from (e.g., 'Li2O'). Required. + structure_index: Index within the composition's structures (0-based). + If scorer_name provided, 0 = best scored structure. + scorer_name: Optional scorer to use for ranking structures within composition. + If provided, structure_index refers to rank (0=best). + reason: Reason for selection (for logging) + + Returns: + Confirmation of selection with composition and scores + """ + if not self.buffer: + return "Error: Buffer is empty. Use generate_structures or create_structure first." + + comp = composition.strip() + if not comp: + return "Error: Must provide composition. Use list_compositions to see available." + + if comp not in self.buffer: + available = list(self.buffer.keys())[:10] + return ( + f"Error: No structures for composition '{comp}'. Available: {available}" + ) + + entries = self.buffer[comp] + + # Sort by scorer if specified + if scorer_name: + # Check if structures are scored + if not entries[0].get("scores", {}).get(scorer_name): + return f"Error: Structures for '{comp}' not scored with '{scorer_name}'. Run score_buffer first." + # Already sorted by score_buffer, but ensure correct order + entries = sorted( + entries, + key=lambda e: e["scores"].get(scorer_name, float("-inf")), + reverse=True, + ) + + # Check index bounds + if structure_index < 0 or structure_index >= len(entries): + return f"Error: Index {structure_index} out of range for {comp} (has {len(entries)} structures)." + + # Select structure + entry = entries[structure_index] + self._selected_structure = entry["structure"] + rank_str = ( + f"rank {structure_index} by {scorer_name}" + if scorer_name + else f"index {structure_index}" + ) + self._selection_reason = reason or f"Selected {comp} ({rank_str})" + + # Remove from buffer + self.buffer[comp].pop(structure_index) + if not self.buffer[comp]: # Remove composition if no more structures + del self.buffer[comp] + + # Remove from cache + if entry["hash"] in self.structure_cache: + del self.structure_cache[entry["hash"]] + + # Format message + full_formula = entry.get("full_formula", entry["composition"]) + score_str = ", ".join( + f"{s}={v:.4f}" for s, v in entry.get("scores", {}).items() + ) + total_remaining = sum(len(e) for e in self.buffer.values()) + msg = ( + f"SELECTED: {full_formula} (reduced: {entry['composition']}, {entry['num_sites']} sites, {entry['source']})" + f"{': ' + score_str if score_str else ''}. " + f"{self._selection_reason}. " + f"Buffer: {total_remaining} structures remaining." + ) + logger.info(f"[Tool] {msg}") + return msg + + def create_structure( + self, + a: float, + b: float, + c: float, + alpha: float = 90.0, + beta: float = 90.0, + gamma: float = 90.0, + species: str = "", + frac_coords: str = "", + ) -> str: + """Create a new structure from scratch with specified lattice and sites. + + This allows direct structure creation without using a generator. + The structure is validated and added to the buffer if it passes filters. + + Args: + a: Lattice parameter a (Angstroms) + b: Lattice parameter b (Angstroms) + c: Lattice parameter c (Angstroms) + alpha: Lattice angle alpha (degrees, default 90) + beta: Lattice angle beta (degrees, default 90) + gamma: Lattice angle gamma (degrees, default 90) + species: Comma-separated element symbols for each site (e.g., "Li, Li, O") + frac_coords: Semicolon-separated fractional coordinates, each as "x,y,z" + (e.g., "0,0,0; 0.5,0.5,0.5; 0.25,0.25,0.25") + + Returns: + Result message indicating success or failure + """ + from pymatgen.core.lattice import Lattice + + # Parse species + if not species.strip(): + return "Error: Must provide species (comma-separated element symbols)" + species_list = [s.strip() for s in species.split(",") if s.strip()] + + # Parse fractional coordinates + if not frac_coords.strip(): + return ( + "Error: Must provide frac_coords (semicolon-separated, each as 'x,y,z')" + ) + + coords_list = [] + for coord_str in frac_coords.split(";"): + coord_str = coord_str.strip() + if not coord_str: + continue + parts = [float(x.strip()) for x in coord_str.split(",")] + if len(parts) != 3: + return f"Error: Each coordinate must be 'x,y,z', got '{coord_str}'" + coords_list.append(parts) + + # Validate lengths match + if len(species_list) != len(coords_list): + return f"Error: species count ({len(species_list)}) != coords count ({len(coords_list)})" + + # Validate elements + for element in species_list: + if element not in self.chemical_system_elements: + return f"Error: Element {element} not in allowed elements: {self.chemical_system_elements}" + + # Check stoichiometry + if len(species_list) > self.max_stoichiometry: + return f"Error: Too many atoms ({len(species_list)}), max is {self.max_stoichiometry}" + + try: + lattice = Lattice.from_parameters(a, b, c, alpha, beta, gamma) + structure = Structure(lattice, species_list, coords_list) + + # Check for duplicates + struct_hash = structure_hash(structure) + if struct_hash in self.structure_cache: + return f"Structure already in buffer (composition: {structure.composition.reduced_formula})" + + # Run static filter + if self.static_filter is not None: + try: + passed, results = self.static_filter.filter( + [structure], self.state, return_results=True + ) + if not passed: + reasons = [ + r.rejection_reason + for r in results + if not r.passed and r.rejection_reason + ] + return f"Structure failed filters: {'; '.join(reasons) if reasons else 'failed validation'}" + except Exception as e: + return f"Filter error: {e}" + + # Run uniqueness filter + if self.uniqueness_filter is not None: + try: + passed, results = self.uniqueness_filter.filter( + [structure], self.state, return_results=True + ) + if not passed: + return ( + "Structure is not unique (duplicate of existing structure)" + ) + except Exception as e: + logger.warning(f"Uniqueness filter error: {e}") + + # Add to buffer + comp = structure.composition.reduced_formula + full_formula = structure.composition.formula.replace(" ", "") + entry = { + "structure": structure, + "hash": struct_hash, + "composition": comp, # Reduced formula + "full_formula": full_formula, # Full formula + "source": "llm_created", + "scores": {}, + "num_sites": len(structure), + } + # Add to composition-based buffer (keyed by reduced formula) + if comp not in self.buffer: + self.buffer[comp] = [] + comp_idx = len(self.buffer[comp]) + self.buffer[comp].append(entry) + self.structure_cache[struct_hash] = entry + + total_count = sum(len(entries) for entries in self.buffer.values()) + msg = f"Created and added: {full_formula} (reduced: {comp}, {len(structure)} sites). Buffer: {total_count} structures, {len(self.buffer)} compositions. {comp}: {comp_idx + 1} structures." + logger.info(f"[Tool] {msg}") + return msg + + except Exception as e: + return f"Error creating structure: {e}" + + def get_selected_structure(self) -> Structure | None: + """Get the selected structure (internal use).""" + return self._selected_structure + + +# ============================================================================ +# Main Agent Class +# ============================================================================ + + +class LLMReActOrchestratorAgent(Agent): + """ + LLM ReAct Orchestrator Agent that uses DSPy ReAct to decide actions. + + Maintains a buffer of pre-validated structures and uses an LLM + to decide: generate, score, query, or select. + """ + + def __init__( + self, + # LLM configuration + llm_config: dict[str, Any] | None = None, + # Tool components + generators: dict[str, Generator] | None = None, + static_filters: Filter | None = None, # FilterChain or single filter + uniqueness_filter: Filter | None = None, # Separate uniqueness filter + scorers: dict[str, Scorer] | None = None, + # Context and prompts (from config) + context_config: dict[str, Any] | None = None, + # Tool access + enabled_tools: list[str] | None = None, + # ReAct config + max_iters: int = 10, + # Constraints + max_stoichiometry: int = 20, + # History + max_history_length: int = 20, + **kwargs: Any, + ): + """ + Initialize the LLM ReAct Orchestrator Agent. + + Args: + llm_config: DSPy LM configuration (model, cache, etc.) + generators: Dict of named generators + static_filters: Filter or FilterChain for static filtering (cached) + uniqueness_filter: Uniqueness filter (always re-run) + scorers: Dict of named scorers + context_config: Prompts and context configuration + - orchestration_prompt: Custom prompt (overrides default) + - include_structure_in_history: Include full structure (lattice, species, positions) in evaluation history + - include_structure_in_known_materials: Include full structure in known stable materials + enabled_tools: List of tool names to enable + max_iters: Maximum ReAct iterations per step + max_stoichiometry: Maximum atoms per structure + max_history_length: Maximum evaluation history entries + """ + # Initialize base Agent (sets self.last_step = 0) + super().__init__() + + # Store components + self.generators = generators or {} + self.static_filter = static_filters + self.uniqueness_filter = uniqueness_filter + self.scorers_dict = scorers or {} + + # Context and prompts + self.context_config = context_config or {} + + # Configuration + self.max_iters = max_iters + self.max_stoichiometry = max_stoichiometry + self.max_history_length = max_history_length + + # Enabled tools + all_tools = [ + "generate_structures", + "create_structure", + "score_buffer", + "list_compositions", + "query_structures", + "get_buffer_stats", + "select_for_evaluation", + ] + self.enabled_tools = enabled_tools or all_tools + + # State - buffer is now composition-based: {composition: [entries]} + self.buffer: dict[str, list[dict[str, Any]]] = {} + self.structure_cache: dict[str, dict[str, Any]] = {} + self.evaluation_history: list[dict[str, Any]] = [] + self.chemical_system_elements: list[str] = [] + + # Initialize DSPy LM + self.llm_config = llm_config or {} + self._setup_dspy() + + # Prepare signature with optional prompt override (mirrors LLMScorer/LLMPlanner approach) + signature = OrchestratorReActSignature + if self.context_config.get("orchestration_prompt"): + # Override the signature instructions with custom prompt from config + signature.instructions = self.context_config["orchestration_prompt"] + self.signature_class = signature + + logger.info( + f"[LLMReActOrchestrator] Initialized with generators={list(self.generators.keys())}, " + f"static_filter={self.static_filter is not None}, uniqueness_filter={self.uniqueness_filter is not None}, " + f"scorers={list(self.scorers_dict.keys())}" + ) + + def _setup_dspy(self): + """Setup DSPy LM.""" + try: + model = self.llm_config.get("model", "anthropic/claude-sonnet-4-20250514") + cache = self.llm_config.get("cache", True) + max_tokens = self.llm_config.get("max_output_tokens") + temperature = self.llm_config.get("temperature") + + kwargs = {"cache": cache} + if max_tokens: + kwargs["max_tokens"] = max_tokens + if temperature is not None: + kwargs["temperature"] = temperature + + self.lm = dspy.LM(model, **kwargs) + logger.info(f"[LLMReActOrchestrator] DSPy LM: {model}") + except Exception as e: + logger.error(f"[LLMReActOrchestrator] Failed to initialize DSPy LM: {e}") + raise + + def propose_composition_and_structure( + self, state: dict[str, Any] + ) -> tuple[Composition, Structure]: + """ + Propose a structure using the ReAct loop. + """ + self.chemical_system_elements = state.get("elements", []) + stability_tolerance = state.get("stability_tolerance", 1e-8) + + logger.info( + f"[LLMReActOrchestrator] Starting proposal (buffer={len(self.buffer)}, history={len(self.evaluation_history)})" + ) + + # Build context + buffer_summary = self._format_buffer_summary() + history_str = self._format_evaluation_history(stability_tolerance) + stable_materials_str = self._format_known_stable_materials(state) + + # Create tools + tools = OrchestratorTools( + generators=self.generators, + static_filter=self.static_filter, + uniqueness_filter=self.uniqueness_filter, + scorers=self.scorers_dict, + chemical_system_elements=self.chemical_system_elements, + max_stoichiometry=self.max_stoichiometry, + buffer=self.buffer, + structure_cache=self.structure_cache, + state=state, + ) + + # Build tool list + tool_map = { + "generate_structures": tools.generate_structures, + "create_structure": tools.create_structure, + "score_buffer": tools.score_buffer, + "list_compositions": tools.list_compositions, + "query_structures": tools.query_structures, + "get_buffer_stats": tools.get_buffer_stats, + "select_for_evaluation": tools.select_for_evaluation, + } + enabled_tool_functions = [ + tool_map[name] for name in self.enabled_tools if name in tool_map + ] + + # Create ReAct module + react_module = dspy.ReAct( + self.signature_class, + tools=enabled_tool_functions, + max_iters=self.max_iters, + ) + + logger.info( + f"[LLMReActOrchestrator] ReAct: elements={self.chemical_system_elements}, tools={self.enabled_tools}" + ) + + # Run ReAct + try: + with dspy.context(lm=self.lm): + result = react_module( + chemical_system=", ".join(self.chemical_system_elements), + stability_tolerance=stability_tolerance, + max_stoichiometry=self.max_stoichiometry, + buffer_summary=buffer_summary, + evaluation_history=history_str, + known_stable_materials=stable_materials_str, + ) + + logger.info(f"[LLMReActOrchestrator] Result: {result.answer}") + + selected = tools.get_selected_structure() + + if selected is None: + logger.warning( + "[LLMReActOrchestrator] No structure selected. Falling back." + ) + selected = self._fallback_selection(state) + + return selected.composition, selected + + except Exception as e: + logger.error(f"[LLMReActOrchestrator] ReAct failed: {e}") + selected = self._fallback_selection(state) + return selected.composition, selected + + def _fallback_selection(self, state: dict[str, Any]) -> Structure: + """Fallback selection if ReAct fails.""" + if self.buffer: + # Pick first composition and first structure from it + comp = next(iter(self.buffer.keys())) + entry = self.buffer[comp].pop(0) + if not self.buffer[comp]: # Remove composition if empty + del self.buffer[comp] + logger.info(f"[LLMReActOrchestrator] Fallback: {entry['composition']}") + return entry["structure"] + + if self.generators: + gen_name, generator = next(iter(self.generators.items())) + plan = Plan( + compositions=[ + Composition(dict.fromkeys(self.chemical_system_elements, 1)) + ], + num_candidates=1, + constraints={"elements": self.chemical_system_elements}, + ) + try: + structures = generator.generate(plan, state) + if structures: + logger.info( + f"[LLMReActOrchestrator] Fallback: generated via {gen_name}" + ) + return structures[0] + except Exception as e: + logger.error(f"[LLMReActOrchestrator] Fallback generation failed: {e}") + + raise RuntimeError("No structure available") + + def _format_buffer_summary(self) -> str: + """Format buffer summary for LLM context.""" + if not self.buffer: + return "Buffer is empty. Use generate_structures or create_structure to add candidates." + + total_structures = sum(len(entries) for entries in self.buffer.values()) + num_compositions = len(self.buffer) + + sources = {} + for entries in self.buffer.values(): + for entry in entries: + src = entry.get("source", "unknown") + sources[src] = sources.get(src, 0) + 1 + + lines = [ + f"Buffer: {total_structures} structures across {num_compositions} compositions", + f" Sources: {sources}", + " Top compositions:", + ] + + # Sort compositions by count + sorted_comps = sorted( + self.buffer.items(), key=lambda x: len(x[1]), reverse=True + )[:3] + for comp, entries in sorted_comps: + lines.append(f" {comp}: {len(entries)} structures") + + return "\n".join(lines) + + def _format_evaluation_history(self, stability_tolerance: float) -> str: + """Format evaluation history for LLM context.""" + if not self.evaluation_history: + return "No evaluations yet." + + include_structures = self.context_config.get( + "include_structure_in_history", False + ) + + lines = [] + recent = self.evaluation_history[-self.max_history_length :] + for i, entry in enumerate(recent, 1): + comp = entry.get("composition", "?") + e_hull = entry.get("e_above_hull", float("inf")) + is_stable = entry.get("is_stable", False) + is_novel = entry.get("is_newly_discovered", False) + + status = [] + if is_stable: + status.append("STABLE") + elif e_hull <= stability_tolerance: + status.append("METASTABLE") + if is_novel: + status.append("NOVEL") + status_str = ", ".join(status) if status else "unstable" + + line = f"{i}. {comp} [{status_str}, e_above_hull={e_hull:.4f}]" + + # Optionally add full structure info + if include_structures and entry.get("structure"): + structure = entry["structure"] + struct_str = str(structure) + # Indent each line for better formatting + indented_struct = "\n ".join(struct_str.split("\n")) + line += f"\n {indented_struct}" + + lines.append(line) + + return "\n".join(lines) + + def _format_known_stable_materials(self, state: dict[str, Any]) -> str: + """Format known stable materials from phase diagram.""" + entries_raw = state.get("phase_diagram_all_entries", []) + if not entries_raw: + return "No known materials." + + include_structures = self.context_config.get( + "include_structure_in_known_materials", False + ) + + entries = [] + for e in entries_raw: + if isinstance(e, dict): + entries.append(PDEntry.from_dict(e)) + elif isinstance(e, PDEntry): + entries.append(e) + + if not entries: + return "No known materials." + + try: + pd = PhaseDiagram(entries) + stable = pd.stable_entries + + # Filter to compounds only + stable_compounds = [e for e in stable if len(e.composition.elements) >= 2] + + if not stable_compounds: + return "No known compound stable materials." + + if not include_structures: + # Simple format - just formulas + formulas = [e.composition.reduced_formula for e in stable_compounds] + return f"Known stable: {', '.join(sorted(set(formulas)))}" + else: + # Detailed format with structure info + lines = ["Known stable materials:"] + for entry in stable_compounds: + comp = entry.composition.reduced_formula + e_form = pd.get_form_energy_per_atom(entry) + + line = f" {comp} (formation_energy={e_form:.4f} eV/atom)" + + # Add full structure info if available + structure = None + if hasattr(entry, "structure") and entry.structure: + structure = entry.structure + elif hasattr(entry, "attribute") and entry.attribute: + structure = entry.attribute.get("structure") + + if structure: + struct_str = str(structure) + # Indent each line for better formatting + indented_struct = "\n ".join(struct_str.split("\n")) + line += f"\n {indented_struct}" + + lines.append(line) + + return "\n".join(lines) + except Exception as e: + logger.warning( + f"[LLMReActOrchestrator] Failed to compute stable materials: {e}" + ) + return "Unable to compute stable materials." + + def update_state(self, state: dict[str, Any]) -> None: + """Update agent state from environment observation (uses base Agent step tracking).""" + action = self._update_last_step(state) + + # Update chemical system on init + if action == "init": + self.chemical_system_elements = state.get("elements", []) + logger.info( + f"[LLMReActOrchestrator] Initialized: {self.chemical_system_elements}" + ) + + if action == "skip": + return + + # Update component states (on init or update) + for gen in self.generators.values(): + gen.update_state(state) + if self.static_filter: + self.static_filter.update_state(state) + if self.uniqueness_filter: + self.uniqueness_filter.update_state(state) + for scorer in self.scorers_dict.values(): + scorer.update_state(state) + + # Only record evaluation on update (not init) + if action != "update": + return + + last_obs = state.get("last_observation") + e_hull = last_obs.get("e_above_hull", float("inf")) + stability_tolerance = state.get("stability_tolerance", 1e-8) + + # Store structure for optional context inclusion + structure = None + if "proposal" in last_obs: + try: + proposal = last_obs["proposal"] + if isinstance(proposal, dict): + structure = Structure.from_dict(proposal) + else: + structure = proposal + except Exception: + pass + + history_entry = { + "composition": last_obs.get("reduced_formula", "?"), + "e_above_hull": e_hull, + "is_stable": last_obs.get("is_stable", e_hull <= stability_tolerance), + "is_newly_discovered": last_obs.get("is_newly_discovered", False), + "energy_per_atom": last_obs.get("energy_per_atom"), + "structure": structure, # Store for optional context + } + self.evaluation_history.append(history_entry) + + # Remove from cache + if "proposal" in last_obs: + try: + proposal = last_obs["proposal"] + if isinstance(proposal, dict): + proposal = Structure.from_dict(proposal) + proposal_hash = structure_hash(proposal) + if proposal_hash in self.structure_cache: + del self.structure_cache[proposal_hash] + except Exception: + pass + + status = "STABLE" if history_entry["is_stable"] else "unstable" + if history_entry["is_newly_discovered"]: + status += ", NOVEL" + + logger.info( + f"[LLMReActOrchestrator] Recorded: {history_entry['composition']} [{status}, e={e_hull:.4f}]" + ) + + def get_state(self) -> dict[str, Any]: + """Get agent state for checkpointing.""" + # Serialize composition-based buffer + buffer_dict = {} + for comp, entries in self.buffer.items(): + buffer_dict[comp] = [ + { + "structure_dict": entry["structure"].as_dict(), + "hash": entry["hash"], + "composition": entry["composition"], + "full_formula": entry.get("full_formula", entry["composition"]), + "source": entry.get("source"), + "scores": entry.get("scores", {}), + "num_sites": entry.get("num_sites", 0), + } + for entry in entries + ] + + # Serialize evaluation history with structures + serialized_history = [] + for entry in self.evaluation_history: + serialized_entry = { + "composition": entry["composition"], + "e_above_hull": entry["e_above_hull"], + "is_stable": entry["is_stable"], + "is_newly_discovered": entry["is_newly_discovered"], + "energy_per_atom": entry.get("energy_per_atom"), + } + if entry.get("structure"): + serialized_entry["structure_dict"] = entry["structure"].as_dict() + serialized_history.append(serialized_entry) + + return { + "buffer": buffer_dict, + "structure_cache_hashes": list(self.structure_cache.keys()), + "evaluation_history": serialized_history, + "chemical_system_elements": self.chemical_system_elements, + "last_step": self.last_step, + } + + def load_state(self, state: dict[str, Any]) -> None: + """Load agent state from checkpoint.""" + if "buffer" in state: + self.buffer = {} + self.structure_cache = {} + buffer_data = state["buffer"] + + # Handle both old (list) and new (dict) formats + if isinstance(buffer_data, list): + # Old format - convert to new format + for entry_dict in buffer_data: + structure = Structure.from_dict(entry_dict["structure_dict"]) + comp = entry_dict["composition"] + full_formula = entry_dict.get( + "full_formula", structure.composition.formula.replace(" ", "") + ) + entry = { + "structure": structure, + "hash": entry_dict["hash"], + "composition": comp, + "full_formula": full_formula, + "source": entry_dict.get("source"), + "scores": entry_dict.get("scores", {}), + "num_sites": entry_dict.get("num_sites", len(structure)), + } + if comp not in self.buffer: + self.buffer[comp] = [] + self.buffer[comp].append(entry) + self.structure_cache[entry["hash"]] = entry + else: + # New format (dict of compositions) + for comp, entries_list in buffer_data.items(): + self.buffer[comp] = [] + for entry_dict in entries_list: + structure = Structure.from_dict(entry_dict["structure_dict"]) + full_formula = entry_dict.get( + "full_formula", + structure.composition.formula.replace(" ", ""), + ) + entry = { + "structure": structure, + "hash": entry_dict["hash"], + "composition": entry_dict["composition"], + "full_formula": full_formula, + "source": entry_dict.get("source"), + "scores": entry_dict.get("scores", {}), + "num_sites": entry_dict.get("num_sites", len(structure)), + } + self.buffer[comp].append(entry) + self.structure_cache[entry["hash"]] = entry + + if "evaluation_history" in state: + # Deserialize structures in history + self.evaluation_history = [] + for entry_dict in state["evaluation_history"]: + entry = { + "composition": entry_dict["composition"], + "e_above_hull": entry_dict["e_above_hull"], + "is_stable": entry_dict["is_stable"], + "is_newly_discovered": entry_dict["is_newly_discovered"], + "energy_per_atom": entry_dict.get("energy_per_atom"), + } + # Deserialize structure if present + if "structure_dict" in entry_dict: + entry["structure"] = Structure.from_dict( + entry_dict["structure_dict"] + ) + else: + entry["structure"] = None + self.evaluation_history.append(entry) + + if "chemical_system_elements" in state: + self.chemical_system_elements = state["chemical_system_elements"] + + if "last_step" in state: + self.last_step = state["last_step"] diff --git a/made/agents/planners/__init__.py b/made/agents/planners/__init__.py new file mode 100644 index 0000000..50ff8a9 --- /dev/null +++ b/made/agents/planners/__init__.py @@ -0,0 +1,7 @@ +from .grid_search import GridSearchPlanner +from .llm import LLMPlanner + +__all__ = [ + "GridSearchPlanner", + "LLMPlanner", +] diff --git a/made/agents/planners/grid_search.py b/made/agents/planners/grid_search.py new file mode 100644 index 0000000..6c949c0 --- /dev/null +++ b/made/agents/planners/grid_search.py @@ -0,0 +1,787 @@ +""" +Grid search planner that enumerates all compositions and iterates over them. + +Supports multiple selection strategies: +- Sequential iteration +- Random selection +- UCB (Upper Confidence Bound) selection +- Diversity-based selection +""" + +import logging +from abc import ABC, abstractmethod +from dataclasses import dataclass +from itertools import combinations_with_replacement, product +from typing import Any + +import numpy as np +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from made.evaluation.metrics import is_smact_valid +from made.utils.convex_hull_utils import safe_e_above_hull + +from ..base import Plan, Planner + +logger = logging.getLogger(__name__) + + +# Base Selection Strategy Class +class SelectionStrategy(ABC): + """Base class for composition selection strategies.""" + + @abstractmethod + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + """Select compositions based on the strategy. + + Args: + composition_stats: Dictionary mapping formula -> CompositionStats + num_compositions: Number of compositions to select + rng: Random number generator + **kwargs: Strategy-specific parameters + + Returns: + List of selected Composition objects + """ + + +class RandomSelectionStrategy(SelectionStrategy): + """Randomly select compositions each time, filtering out those that have reached max attempts or success criteria.""" + + def __init__( + self, + max_attempts_per_composition: int = 5, + move_on_success: bool = True, + **kwargs, + ): + self.max_attempts_per_composition = max_attempts_per_composition + self.move_on_success = move_on_success + + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + all_stats = list(composition_stats.values()) + + # Filter out compositions that have reached their limits + available_stats = [] + for stats in all_stats: + should_include = stats.num_attempts < self.max_attempts_per_composition + if self.move_on_success: + should_include = should_include and stats.num_successes == 0 + + if should_include: + available_stats.append(stats) + + # If no compositions are available, fall back to all compositions + if not available_stats: + available_stats = all_stats + + # Randomly select from available compositions + selected_compositions = [] + for _ in range(min(num_compositions, len(available_stats))): + selected_idx = rng.choice(len(available_stats)) + selected_compositions.append(available_stats[selected_idx].composition) + + return selected_compositions + + +class UCBSelectionStrategy(SelectionStrategy): + """Select compositions using Upper Confidence Bound strategy.""" + + def __init__( + self, + exploration_factor: float = 1.0, + ucb_reward: str = "success_rate", + **kwargs, + ): + self.ucb_reward = ucb_reward + self.exploration_factor = exploration_factor + + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + total_attempts = sum(stats.num_attempts for stats in composition_stats.values()) + + # Calculate UCB scores for all compositions + all_stats = list(composition_stats.values()) + ucb_scores = [] + for stats in all_stats: + if self.ucb_reward == "success_rate": + exploitation = stats.success_rate + elif self.ucb_reward == "failure_rate": + exploitation = 1.0 - stats.success_rate + elif self.ucb_reward == "best_score": + exploitation = stats.best_score + else: + raise ValueError( + f"Invalid ucb_reward: {self.ucb_reward}. Expected 'success_rate', 'failure_rate', or 'best_score'" + ) + exploration = self.exploration_factor * np.sqrt( + np.log(total_attempts) / stats.num_attempts + ) + score = exploitation + exploration + ucb_scores.append(score) + + # Convert to numpy array for easier manipulation + ucb_scores = np.array(ucb_scores) + + # Select compositions, handling ties by random sampling + selected_indices = [] + available_indices = set(range(len(all_stats))) + + for _ in range(num_compositions): + if not available_indices: + break + + # Find the maximum score among remaining compositions + available_mask = np.zeros(len(ucb_scores), dtype=bool) + available_mask[list(available_indices)] = True + masked_scores = np.where(available_mask, ucb_scores, -np.inf) + max_score = np.max(masked_scores) + + # Find all indices with the maximum score (ties) + tied_indices = [i for i in available_indices if ucb_scores[i] == max_score] + + # Randomly sample from tied indices + selected_idx = rng.choice(tied_indices) + selected_indices.append(selected_idx) + available_indices.remove(selected_idx) + + return [all_stats[i].composition for i in selected_indices] + + +class UnexploredSelectionStrategy(SelectionStrategy): + """Select compositions that haven't been tried yet, then fall back to least tried.""" + + def __init__(self, **kwargs): + # UnexploredSelectionStrategy doesn't use any initialization parameters + pass + + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + all_stats = list(composition_stats.values()) + unexplored = [stats for stats in all_stats if stats.num_attempts == 0] + + if len(unexplored) >= num_compositions: + # Randomly sample from unexplored + selected_indices = rng.choice( + len(unexplored), size=num_compositions, replace=False + ) + return [unexplored[i].composition for i in selected_indices] + else: + # Take all unexplored, then fill with least attempted + selected_compositions = [stats.composition for stats in unexplored] + remaining_needed = num_compositions - len(selected_compositions) + + if remaining_needed > 0: + # Sort by number of attempts (ascending) and take the least tried + explored = [stats for stats in all_stats if stats.num_attempts > 0] + explored.sort(key=lambda x: x.num_attempts) + selected_compositions.extend( + [stats.composition for stats in explored[:remaining_needed]] + ) + + return selected_compositions + + +class IterativeSelectionStrategy(SelectionStrategy): + """Iteratively go through each composition until max attempts or optionally until success is achieved.""" + + def __init__( + self, + max_attempts_per_composition: int = 5, + move_on_success: bool = True, + **kwargs, + ): + self.current_composition_index = 0 + self.composition_order = None # Will be set on first use + self.max_attempts_per_composition = max_attempts_per_composition + self.move_on_success = move_on_success + + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + all_stats = list(composition_stats.values()) + + # Initialize composition order on first use (deterministic ordering) + if self.composition_order is None: + # Sort by formula for deterministic ordering + self.composition_order = sorted( + all_stats, key=lambda x: x.composition.formula + ) + + selected_compositions = [] + + for _ in range(num_compositions): + if not self.composition_order: + break + + # Get current composition + current_stats = self.composition_order[self.current_composition_index] + + # Check if we should continue with this composition + should_continue = ( + current_stats.num_attempts < self.max_attempts_per_composition + ) + if self.move_on_success: + should_continue = should_continue and current_stats.num_successes == 0 + + if should_continue: + # Continue with current composition + selected_compositions.append(current_stats.composition) + else: + # Move to next composition + self.current_composition_index = ( + self.current_composition_index + 1 + ) % len(self.composition_order) + current_stats = self.composition_order[self.current_composition_index] + selected_compositions.append(current_stats.composition) + + return selected_compositions + + +class DiversitySelectionStrategy(SelectionStrategy): + """Select compositions that are maximally distant from previously attempted compositions.""" + + def __init__( + self, + distance_metric: str = "euclidean", + unattempted_weight: float = 2.0, + attempt_weight_factor: float = 0.7, + failure_weight_factor: float = 0.3, + mask_same_reduced_formula: bool = True, + **kwargs, + ): + self.distance_metric = distance_metric + self.unattempted_weight = unattempted_weight + self.attempt_weight_factor = attempt_weight_factor + self.failure_weight_factor = failure_weight_factor + self.mask_same_reduced_formula = mask_same_reduced_formula + self.distance_matrix = None + self.ref_compositions = None # list of reference compositions (all compositions + elemental references) + + def select( + self, + composition_stats: dict[str, "CompositionStats"], + num_compositions: int, + rng: np.random.RandomState, + ) -> list[Composition]: + all_stats = list(composition_stats.values()) + all_compositions = [stats.composition for stats in all_stats] + # Create mapping from composition to stats for easy lookup + comp_to_stats = {stats.composition.formula: stats for stats in all_stats} + + # Build elemental reference compositions from the element set present + if self.distance_matrix is None: + unique_element_symbols: set[str] = set() + for comp in all_compositions: + for el in comp.elements: + unique_element_symbols.add(el.symbol) + elemental_refs: list[Composition] = [ + Composition(sym) for sym in sorted(unique_element_symbols) + ] + # Candidates are all_compositions (rows); references are candidates + elemental references (cols) + self.ref_compositions: list[Composition] = all_compositions + elemental_refs + cand_mat = self._compositions_to_matrix(all_compositions) + ref_mat = self._compositions_to_matrix(self.ref_compositions) + self.distance_matrix = self._compute_vectorized_distances(cand_mat, ref_mat) + + # Compute weights for all compositions (unattempted are given high weight via config) + weights = self._compute_composition_weights(all_compositions, comp_to_stats) + + # Create cross mask for candidate-to-reference comparisons to block same/reduced comparisons among candidates + cand_formulas = np.array([c.formula for c in all_compositions]) + ref_formulas = np.array([c.formula for c in self.ref_compositions]) + formula_mask = cand_formulas[:, None] == ref_formulas[None, :] + if self.mask_same_reduced_formula: + cand_reduced = np.array([c.reduced_formula for c in all_compositions]) + ref_reduced = np.array([c.reduced_formula for c in self.ref_compositions]) + reduced_mask = cand_reduced[:, None] == ref_reduced[None, :] + cross_mask = formula_mask | reduced_mask + else: + cross_mask = formula_mask + + # Create mask for attempted compositions (initially based on num_attempts > 0) + attempted_mask = np.array([stats.num_attempts > 0 for stats in all_stats]) + + # Initialize list of compositions to select and a set of chosen indices for this batch + selected_compositions = [] + selected_indices: set[int] = set() + + for _ in range(num_compositions): + # References: first N columns correspond to candidates; remaining are elemental references (always active) + num_candidates = len(all_compositions) + num_refs = self.distance_matrix.shape[1] + attempted_cols = np.zeros(num_refs, dtype=bool) + attempted_cols[:num_candidates] = attempted_mask + if num_refs > num_candidates: + attempted_cols[num_candidates:] = True + + # Valid references exclude cross-comparisons blocked by cross_mask + valid_ref_mask = attempted_cols[None, :] & (~cross_mask) + + # Apply the valid mask to the distance matrix; invalid entries become +inf + distances_masked = np.where(valid_ref_mask, self.distance_matrix, np.inf) + # Take the minimum along attempted columns for each candidate row + min_distances = np.min(distances_masked, axis=1) + # Rows with no valid attempted references will be +inf → treat as not selectable now + # so that unattempted (with finite distances) are prioritized via weights + min_distances = np.where(np.isinf(min_distances), -np.inf, min_distances) + # Combine with weights (higher weight = higher priority) + weighted_scores = min_distances * weights + # Avoid reselection within the same batch + if selected_indices: + for idx in selected_indices: + weighted_scores[idx] = -np.inf + + # Additionally, if configured, mask any candidates that share the + # same reduced formula as compositions already selected in this batch + if self.mask_same_reduced_formula and selected_compositions: + selected_reduced = { + c.reduced_formula for c in selected_compositions + } + cand_reduced_arr = np.array( + [c.reduced_formula for c in all_compositions] + ) + same_reduced_mask = np.isin( + cand_reduced_arr, list(selected_reduced) + ) + weighted_scores[same_reduced_mask] = -np.inf + # Select composition with highest weighted score + best_idx = np.argmax(weighted_scores) + selected_compositions.append(all_compositions[best_idx]) + + # Update attempted mask to include the newly selected composition + attempted_mask[best_idx] = True + + selected_indices.add(best_idx) + + return selected_compositions + + # utils for distance computation + def _compositions_to_matrix(self, compositions: list[Composition]) -> np.ndarray: + """Convert list of compositions to a matrix representation.""" + all_elements = set() + for comp in compositions: + all_elements.update(comp.elements) + sorted_elements = sorted(all_elements, key=lambda x: x.symbol) + element_to_idx = {el: i for i, el in enumerate(sorted_elements)} + + mat = np.zeros((len(compositions), len(sorted_elements))) + for i, comp in enumerate(compositions): + fractional = comp.fractional_composition + for el, frac in fractional.items(): + j = element_to_idx[el] + mat[i, j] = frac + return mat + + def _compute_vectorized_distances( + self, candidate_matrix: np.ndarray, reference_matrix: np.ndarray + ) -> np.ndarray: + """Compute pairwise distances between candidate and reference compositions. + Args: + candidate_matrix: matrix of candidate compositions, shape: (n_candidates, n_elements) + reference_matrix: matrix of reference compositions, shape: (n_references, n_elements) + Returns: + distances: matrix of distances, shape: (n_candidates, n_references) + """ + if self.distance_metric == "euclidean": + diff = candidate_matrix[:, None, :] - reference_matrix[None, :, :] + distances = np.sqrt(np.sum(diff**2, axis=2)) + elif self.distance_metric == "manhattan": + diff = candidate_matrix[:, None, :] - reference_matrix[None, :, :] + distances = np.sum(np.abs(diff), axis=2) + elif self.distance_metric == "cosine": + cand_norms = np.linalg.norm(candidate_matrix, axis=1, keepdims=True) + ref_norms = np.linalg.norm(reference_matrix, axis=1, keepdims=True) + cand_norms = np.where(cand_norms == 0, 1, cand_norms) + ref_norms = np.where(ref_norms == 0, 1, ref_norms) + cand_norm = candidate_matrix / cand_norms + ref_norm = reference_matrix / ref_norms + cos_sim = np.dot(cand_norm, ref_norm.T) + distances = 1.0 - cos_sim + else: + raise ValueError(f"Unknown distance metric: {self.distance_metric}") + + return distances + + def _create_comparison_mask(self, compositions: list[Composition]) -> np.ndarray: + """Create mask matrix for compositions that should not be compared. + + Args: + compositions: List of all compositions + + Returns: + Boolean mask matrix, shape (n_compositions, n_compositions) + True means compositions should be excluded from distance comparison + """ + formulas = np.array([comp.formula for comp in compositions]) + + # Create formula comparison mask + formula_mask = formulas[:, None] == formulas[None, :] + + # Optionally add reduced formula mask + if self.mask_same_reduced_formula: + reduced_formulas = np.array([comp.reduced_formula for comp in compositions]) + reduced_mask = reduced_formulas[:, None] == reduced_formulas[None, :] + return formula_mask | reduced_mask + else: + return formula_mask + + def _compute_composition_weights( + self, + compositions: list[Composition], + comp_to_stats: dict[str, "CompositionStats"], + ) -> np.ndarray: + """Compute weights for compositions based on attempt history and success rate.""" + weights = [] + + for comp in compositions: + stats = comp_to_stats[comp.formula] + + # Weight based on: 1) fewer attempts, 2) lower success rate (explore failures) + attempt_weight = 1.0 / ( + stats.num_attempts + 1 + ) # +1 to avoid division by zero + failure_weight = ( + 1.0 - stats.success_rate + ) # Higher weight for compositions with more failures + + # For unattempted compositions, give them high priority + if stats.num_attempts == 0: + combined_weight = ( + self.unattempted_weight + ) # High base weight for unattempted + else: + # Combine weights for attempted compositions + combined_weight = ( + attempt_weight * self.attempt_weight_factor + + failure_weight * self.failure_weight_factor + ) + + weights.append(combined_weight) + + return np.array(weights) + + +# Strategy registry for class-based strategies +SELECTION_STRATEGIES = { + "random": RandomSelectionStrategy, + "ucb": UCBSelectionStrategy, + "unexplored": UnexploredSelectionStrategy, + "iterative": IterativeSelectionStrategy, + "diversity": DiversitySelectionStrategy, +} + + +@dataclass +class CompositionStats: + """Statistics for a composition in the grid search.""" + + composition: Composition + num_attempts: int = 0 + num_successes: int = 0 + best_score: float = -10000000 + last_score: float = -10000000 + last_attempted_step: int = -1 + + @property + def success_rate(self) -> float: + """Success rate (0-1) for this composition.""" + return self.num_successes / max(self.num_attempts, 1) + + +class GridSearchPlanner(Planner): + def __init__( + self, + max_stoichiometry: int = 20, + num_compositions: int = 8, + num_candidates: int = 1, + seed: int | None = None, + selection_strategy: str | SelectionStrategy = "random", + selection_strategy_kwargs: dict[str, Any] | None = None, + score_function: str = "e_above_hull", + filter_by_smact_validity: bool = True, + return_all_compositions: bool = False, + ): + self.max_stoichiometry = max_stoichiometry + self.num_compositions = num_compositions + self.num_candidates = num_candidates + self.rng = np.random.RandomState(seed) + self.composition_stats: dict[str, CompositionStats] = {} + self.selection_strategy_kwargs = selection_strategy_kwargs or {} + self.current_step = 0 + self.score_function = score_function + self.filter_by_smact_validity = filter_by_smact_validity + self.return_all_compositions = return_all_compositions + + # Initialize selection strategy + if isinstance(selection_strategy, str): + if selection_strategy not in SELECTION_STRATEGIES: + raise ValueError( + f"Unknown selection strategy: {selection_strategy}. Available: {list(SELECTION_STRATEGIES.keys())}" + ) + # Instantiate strategy class with kwargs + self.selection_strategy = SELECTION_STRATEGIES[selection_strategy]( + **self.selection_strategy_kwargs + ) + elif isinstance(selection_strategy, SelectionStrategy): + self.selection_strategy = selection_strategy + else: + raise ValueError( + "selection_strategy must be a string or SelectionStrategy instance" + ) + + def get_state(self) -> dict[str, Any]: + """Get full state including composition stats for checkpointing.""" + composition_stats_state = { + formula: { + "composition": stats.composition.formula, # Save composition formula + "num_attempts": int(stats.num_attempts), + "num_successes": int(stats.num_successes), + "success_rate": float( + stats.success_rate + ), # Convert numpy float to Python float + "best_score": float(stats.best_score) + if stats.best_score is not None + else None, + "last_score": float(stats.last_score) + if stats.last_score is not None + else None, + "last_attempted_step": int(stats.last_attempted_step), + } + for formula, stats in self.composition_stats.items() + } + + return { + "current_step": int(self.current_step), + "composition_stats": composition_stats_state, + } + + def load_state(self, state: dict[str, Any]) -> None: + """Load full state including composition stats from checkpoint.""" + if "current_step" in state: + self.current_step = state["current_step"] + + if "composition_stats" in state: + from pymatgen.core.composition import Composition + + self.composition_stats = {} + for formula, stats_dict in state["composition_stats"].items(): + comp_formula = stats_dict.get("composition", formula) + composition = Composition(comp_formula) + self.composition_stats[formula] = CompositionStats( + composition=composition, + num_attempts=stats_dict.get("num_attempts", 0), + num_successes=stats_dict.get("num_successes", 0), + best_score=stats_dict.get("best_score", None), + last_score=stats_dict.get("last_score", None), + last_attempted_step=stats_dict.get("last_attempted_step", 0), + ) + + def update_state(self, state: dict[str, Any]) -> None: + """Update composition statistics based on the last observation from the environment state.""" + + # Initialize composition stats if first time + if not self.composition_stats: + elems = state.get("elements", []) + if not elems: + raise ValueError("GridSearchPlanner requires 'elements' in state") + self.composition_stats = self._init_composition_stats(elems) + # Update statistics based on initial state + self._update_stats_from_state(state) + logger.info(f"Initialized composition stats with {self.composition_stats}") + + if state.get("last_observation"): + # make structure from dict + obs = state.get("last_observation") + structure = Structure.from_dict(obs["proposal"]) + if structure.composition.formula in self.composition_stats: + stats = self.composition_stats[structure.composition.formula] + stats.num_attempts += 1 + if self.score_function == "energy_per_atom": + score = -float(obs["energy_per_atom"]) # lower is better + elif self.score_function == "formation_energy_per_atom": + score = -float(obs["formation_energy_per_atom"]) # lower is better + elif self.score_function == "e_above_hull": + score = -float(obs["e_above_hull"]) # lower is better + else: + raise ValueError( + f"Invalid score_function: {self.score_function}. Expected 'energy_per_atom', 'formation_energy_per_atom', or 'e_above_hull'" + ) + if obs["is_stable"]: + stats.num_successes += 1 + + stats.best_score = max(stats.best_score, score) + stats.last_score = score + stats.last_attempted_step = self.current_step + else: + logger.warning( + f"Composition {structure.composition.formula} not found in composition stats, skipping (probably over the max stoichiometry or elemental: {self.max_stoichiometry})" + ) + + def propose( + self, state: dict[str, Any], previous: dict[str, Any] | None = None + ) -> Plan: + # If return_all_compositions is enabled, return all valid compositions + if self.return_all_compositions: + all_compositions = [ + stats.composition for stats in self.composition_stats.values() + ] + logger.info(f"Returning all {len(all_compositions)} compositions in plan") + self.current_step += 1 + return Plan( + compositions=all_compositions, num_candidates=self.num_candidates + ) + + # Otherwise, select compositions based on strategy + selected_compositions = self.selection_strategy.select( + composition_stats=self.composition_stats, + num_compositions=self.num_compositions, + rng=self.rng, + ) + + # Update step counter + self.current_step += 1 + + return Plan( + compositions=selected_compositions, num_candidates=self.num_candidates + ) + + def _init_composition_stats(self, elems: list[str]) -> dict[str, CompositionStats]: + """ + Enumerate all compositions and create CompositionStats objects for each. + Returns a dictionary mapping formula -> CompositionStats for O(1) lookup. + e.g. with max stoichiometry 2, and elements A, B, C, the result will be: + {"A": CompositionStats(A), "B": CompositionStats(B), "C": CompositionStats(C), + "A2": CompositionStats(A2), "B2": CompositionStats(B2), "C2": CompositionStats(C2), + "AB": CompositionStats(AB), "AC": CompositionStats(AC), "BC": CompositionStats(BC)} + + If filter_by_smact_validity is True, only compositions that pass SMACT validity + checks will be included. When SMACT filtering is enabled, the enumeration approach: + - Uses itertools.product to generate all stoichiometry combinations (0 to max_stoichiometry) + - Filters by SMACT validity (which internally uses reduced composition for the check) + - Keeps all unique compositions by their full formula + """ + composition_stats: dict[str, CompositionStats] = {} + + if self.filter_by_smact_validity: + # Reference implementation approach: enumerate all stoichiometry combinations + # Generate all combinations where the sum of atoms is at most max_stoichiometry + all_compositions = [] + for amt_list in product( + range(self.max_stoichiometry + 1), repeat=len(elems) + ): + # Skip the all-zeros combination + if max(amt_list) == 0: + continue + + # Constrain total atoms to be at most max_stoichiometry + total_atoms = sum(amt_list) + if total_atoms > self.max_stoichiometry: + continue + + # Create composition from stoichiometry amounts (keep full composition, not reduced) + comp_dict = dict(zip(elems, amt_list, strict=True)) + composition = Composition(comp_dict) + + # Skip elemental proposals (compositions with only one element) + if len(composition.elements) == 1: + continue + + all_compositions.append(composition) + + # Filter by SMACT validity using metrics utility + valid_compositions = [ + comp for comp in all_compositions if is_smact_valid(comp) + ] + + for comp in valid_compositions: + formula = comp.formula + # Use full formula as key to keep all unique compositions + if formula not in composition_stats: + composition_stats[formula] = CompositionStats(composition=comp) + + logger.info( + f"Enumerated {len(composition_stats)} SMACT-valid compositions " + f"from {len(all_compositions)} total compositions" + ) + else: + # Original approach: enumerate by total atoms + # Generate all possible compositions for each total number of atoms from 1 to max_stoichiometry + for total_atoms in range(1, self.max_stoichiometry + 1): + # Use combinations_with_replacement to generate all ways to select total_atoms elements + # This gives us all multisets of size total_atoms from the element list + for element_combination in combinations_with_replacement( + elems, total_atoms + ): + # Count occurrences of each element in the combination + comp_dict = {} + for elem in element_combination: + comp_dict[elem] = comp_dict.get(elem, 0) + 1 + + # Create composition from the counts + composition = Composition(comp_dict) + + # Skip elemental proposals (compositions with only one element) + if len(composition.elements) == 1: + continue + + formula = composition.formula + composition_stats[formula] = CompositionStats( + composition=composition + ) + + return composition_stats + + def _update_stats_from_state(self, state: dict[str, Any]) -> None: + """Update composition statistics based on observed results from the environment state.""" + + phase_diagram = PhaseDiagram( + [PDEntry.from_dict(e) for e in state.get("phase_diagram_all_entries", [])] + ) + for entry in phase_diagram.all_entries: + composition = entry.composition + formula = composition.formula + if formula in self.composition_stats: + stats = self.composition_stats[formula] + stats.num_attempts += 1 + if entry in phase_diagram.stable_entries: + stats.num_successes += 1 + # score per configured score_function + if self.score_function == "energy_per_atom": + score = -entry.energy_per_atom + elif self.score_function == "formation_energy_per_atom": + score = -phase_diagram.get_form_energy_per_atom(entry) + elif self.score_function == "e_above_hull": + score = -safe_e_above_hull(phase_diagram, entry) + else: + raise ValueError( + f"Invalid score_function: {self.score_function}. Expected 'energy_per_atom', 'formation_energy_per_atom', or 'e_above_hull'" + ) + stats.best_score = max(stats.best_score, score) + stats.last_score = score + stats.last_attempted_step = self.current_step + else: + logger.warning( + f"Composition {formula} not found in composition stats, skipping (probably over the max stoichiometry or elemental: {self.max_stoichiometry})" + ) diff --git a/made/agents/planners/llm.py b/made/agents/planners/llm.py new file mode 100644 index 0000000..410bc01 --- /dev/null +++ b/made/agents/planners/llm.py @@ -0,0 +1,198 @@ +""" +LLM planner. +""" + +import logging +from typing import Any + +import dspy +from pymatgen.core.composition import Composition + +from ...utils.llm import summarize_context_for_llm +from ..base import Plan, Planner + +logger = logging.getLogger(__name__) + + +class CompositionPlannerSignature(dspy.Signature): + """You are a planner for a material discovery experiment. Your goal is to discover as many NOVEL, UNIQUE, STABLE (or metastable) structures as possible. + + CRITICAL CONSTRAINT: You MUST ONLY use elements from the provided 'elements' list in your compositions. And you MUST ONLY propose compositions that are within the max_stoichiometry. + - Example: If elements=['Li', 'O'], you can propose Li2O, LiO2, etc., but NOT Na2O, Fe2O3, etc. + - Example: If max_stoichiometry=20, you can propose Li2O, LiO2, etc., but NOT Li19O19. + + DEFINITIONS: + - STABLE/METASTABLE: Structures with e_above_hull <= stability_tolerance. + - NOVEL: Not already known on the convex hull (is_newly_discovered=True). + - UNIQUE: Structurally distinct from previously evaluated structures. + - Entries marked is_stable_or_metastable=True with is_newly_discovered=True are successful discoveries. + + PHASE DIAGRAM CONCEPTS: + - Reduced formulas (e.g., Li2O) represent UNIQUE POINTS on the phase diagram. + - Different reduced compositions = different phase diagram points → PRIORITIZE DIVERSE reduced compositions for broad coverage. + + STRUCTURE DIVERSITY AT SAME COMPOSITION: + - Multiple DIFFERENT structures can exist at the SAME reduced composition (same phase diagram point) + - Different structures for the SAME composition can have DIFFERENT stabilities (one unstable doesn't mean all are!) + - Different unit cell sizes (Li2O vs Li4O2) create different structures but occupy the SAME phase diagram point + + STRATEGY: + - Explore diverse reduced compositions (different phase diagram points) to maximize phase diagram coverage. + - If a reduced composition has yielded stable/metastable NOVEL structures, consider proposing MORE unit cell sizes for it as additional stable polymorphs may exist. + - Compositions with only [unstable] entries may still have stable structures. + - Balance exploration (new reduced compositions) vs exploitation (trying to find stable structures for compositions with only [unstable] entries) + + Propose FULL formulas with specific unit cell sizes (e.g., Li2O, Li4O2, LiO2) not just reduced formulas. + """ + + context: dict[str, Any] = dspy.InputField( + desc=( + "State of the current experiment, including known stable/metastable structures (energies, e_above_hull), " + "stability threshold, composition trial counts, recent trials, etc." + ) + ) + elements: list[str] = dspy.InputField( + desc="List of elements in the chemical system. You MUST ONLY use these elements in your proposed compositions. Any composition containing elements not in this list will be rejected." + ) + max_stoichiometry: int = dspy.InputField( + desc="Maximum stoichiometry to consider. e.g. 4 means consider compositions up to 4 atoms." + ) + num_compositions: int = dspy.InputField( + desc="Number of compositions to return. e.g. 3 means return a list of 3 compositions." + ) + stability_tolerance: float = dspy.InputField( + desc="e_above_hull threshold for stability. Structures with e_above_hull <= this are stable/metastable." + ) + + compositions: list[str] = dspy.OutputField( + desc="List of compositions to explore next. e.g. ['Na2O', 'NaO3']. These should be unique from each other." + ) + + +class LLMPlanner(Planner): + def __init__( + self, + llm_config: dict[str, Any], + context_config: dict[str, Any], + max_stoichiometry: int = 12, + num_compositions: int = 1, + num_candidates: int = 8, + max_context_entries: int | None = None, + ) -> None: + """Initialize LLM Planner. + + Args: + llm_config: LLM configuration (model, temperature, etc.) + context_config: Context configuration (include_structure_info, etc.) + max_stoichiometry: Maximum atoms per unit cell + num_compositions: Number of compositions to propose per call + num_candidates: Number of candidates to generate per composition + max_context_entries: Maximum context entries to show LLM. If exceeded, + randomly samples while prioritizing stable/metastable entries. + """ + self.llm_config = llm_config + self.context_config = context_config + self.max_stoichiometry = max_stoichiometry + self.num_compositions = num_compositions + self.num_candidates = num_candidates + self.max_context_entries = max_context_entries + signature = CompositionPlannerSignature + # override the signature to include the prompt in the config if provided + if self.context_config.objective_prompt: + signature.instructions = self.context_config.objective_prompt + self.planner = dspy.ChainOfThought(signature) + self.history = [] + + def propose( + self, state: dict[str, Any], previous: dict[str, Any] | None = None + ) -> Plan: + with dspy.settings.context( + lm=dspy.LM( + model=self.llm_config.model, + max_tokens=self.llm_config.max_output_tokens, + temperature=self.llm_config.temperature, + cache=self.llm_config.cache, + ) + ): + stability_tolerance = state.get("stability_tolerance", 1e-8) + context = summarize_context_for_llm( + state, + stability_tolerance=stability_tolerance, + include_structures=self.context_config.include_structure_info, + include_composition_counter=self.context_config.include_composition_counter, + include_recent_trial=self.context_config.include_recent_trial, + max_entries=self.max_context_entries, + ) + pred = self.planner( + context=context, + elements=state.get("elements", []), + max_stoichiometry=self.max_stoichiometry, + num_compositions=self.num_compositions, + stability_tolerance=stability_tolerance, + ) + self.history.append(pred.toDict()) + logger.info( + f"LLMPlanner proposed compositions: {pred.compositions}, reasoning: {pred.reasoning}" + ) + + # Parse compositions and validate against constraints + allowed_elements = set(state.get("elements", [])) + valid_compositions = [] + for comp_str in pred.compositions: + try: + comp = Composition(comp_str) + + # Check that all elements are in the allowed chemical system + comp_elements = {str(el) for el in comp.elements} + invalid_elements = comp_elements - allowed_elements + if invalid_elements: + logger.warning( + f"LLMPlanner: Skipping composition {comp_str} with invalid elements {invalid_elements}. " + f"Allowed elements: {allowed_elements}" + ) + continue + + # Check that total number of atoms is at most max_stoichiometry + total_atoms = sum(comp.values()) + if total_atoms > self.max_stoichiometry: + logger.warning( + f"LLMPlanner: Skipping composition {comp_str} with {total_atoms} atoms " + f"(exceeds max_stoichiometry={self.max_stoichiometry})" + ) + continue + + valid_compositions.append(comp) + except Exception as e: + logger.warning( + f"LLMPlanner: Failed to parse composition {comp_str}: {e}" + ) + continue + + if not valid_compositions: + logger.error( + f"LLMPlanner: No valid compositions after filtering. " + f"Original proposals: {pred.compositions}" + f"defaulting to equal composition plan" + ) + # Fallback: return default equal composition plan + return Plan( + compositions=[Composition(dict.fromkeys(allowed_elements, 1))], + num_candidates=self.num_candidates, + ) + + return Plan( + compositions=valid_compositions, + num_candidates=self.num_candidates, + ) + + def get_state(self) -> dict[str, Any]: + """Get full state including history for checkpointing.""" + return {"history": self.history} # Full history + + def load_state(self, state: dict[str, Any]) -> None: + """Load full state including history from checkpoint.""" + if "history" in state: + self.history = state["history"] + + def update_state(self, state: dict[str, Any]) -> None: + pass diff --git a/made/agents/scorers/__init__.py b/made/agents/scorers/__init__.py new file mode 100644 index 0000000..95b104b --- /dev/null +++ b/made/agents/scorers/__init__.py @@ -0,0 +1,13 @@ +from .chain import ScorerChain +from .diversity import CompositionDiversity +from .llm import LLMScorer +from .oracle import OracleScorer +from .random import RandomSelector + +__all__ = [ + "RandomSelector", + "CompositionDiversity", + "OracleScorer", + "LLMScorer", + "ScorerChain", +] diff --git a/made/agents/scorers/chain.py b/made/agents/scorers/chain.py new file mode 100644 index 0000000..a433702 --- /dev/null +++ b/made/agents/scorers/chain.py @@ -0,0 +1,246 @@ +""" +Multiobjective Scorer that chains multiple scorers together. + +Combines scores from multiple scorers to enable multiobjective optimization. +Supports weighted combination and Pareto-based selection. +""" + +from typing import Any + +import numpy as np +from pymatgen.core.structure import Structure + +from made.agents.base import Scorer, ScoreResult + + +class ScorerChain(Scorer): + """ + Chain multiple scorers together for multiobjective scoring. + + Combines scores from multiple scorers using weighted sum or Pareto dominance. + Optionally normalizes scorer scores to [0, 1] before combination. + + Args: + scorers: List of scorers to combine + weights: Optional list of weights for each scorer (default: equal weights) + combination_method: "weighted_sum" or "pareto" (default: "weighted_sum") + - "weighted_sum": Combine scores using weighted sum + - "pareto": Select from Pareto-optimal candidates (all objectives maximized) + normalize_scores: Whether to normalize each scorer's scores to [0, 1] before + combination (default: True). If False, scores are used as-is (may need + manual scaling to ensure comparable ranges). + """ + + scorer_name = "ScorerChain" + + def __init__( + self, + scorers: list[Scorer], + weights: list[float] | None = None, + combination_method: str = "weighted_sum", + normalize_scores: bool = True, + ) -> None: + if not scorers: + raise ValueError("ScorerChain requires at least one scorer") + self.scorers = scorers + + # Normalize weights + if weights is None: + weights = [1.0] * len(scorers) + if len(weights) != len(scorers): + raise ValueError( + f"Number of weights ({len(weights)}) must match number of scorers ({len(scorers)})" + ) + # Normalize weights to sum to 1 + weight_sum = sum(weights) + if weight_sum == 0: + raise ValueError("Weights cannot all be zero") + self.weights = [w / weight_sum for w in weights] + + if combination_method not in ["weighted_sum", "pareto"]: + raise ValueError( + f"combination_method must be 'weighted_sum' or 'pareto', got '{combination_method}'" + ) + self.combination_method = combination_method + self.normalize_scores = normalize_scores + + def get_state(self) -> dict[str, Any]: + """Return the current state of all scorers in the chain.""" + return { + "scorers": [s.get_state() for s in self.scorers], + "weights": self.weights, + "combination_method": self.combination_method, + "normalize_scores": self.normalize_scores, + } + + def load_state(self, state: dict[str, Any]) -> None: + """Load the state of all scorers in the chain.""" + if "scorers" in state: + for scorer, scorer_state in zip( + self.scorers, state["scorers"], strict=True + ): + if hasattr(scorer, "load_state"): + scorer.load_state(scorer_state) + if "weights" in state: + self.weights = state["weights"] + if "combination_method" in state: + self.combination_method = state["combination_method"] + if "normalize_scores" in state: + self.normalize_scores = state["normalize_scores"] + + def update_state(self, state: dict[str, Any]) -> None: + """Update the state of all scorers in the chain.""" + for scorer in self.scorers: + scorer.update_state(state) + + def _normalize_scores(self, scores: list[float]) -> list[float]: + """ + Normalize scores to [0, 1] range. + + Args: + scores: List of scores to normalize + + Returns: + Normalized scores + """ + if not self.normalize_scores: + return scores + + scores_array = np.array(scores) + score_min = scores_array.min() + score_max = scores_array.max() + if score_max == score_min: + # All scores are the same, set to 0.5 + return np.full_like(scores_array, 0.5).tolist() + else: + normalized = (scores_array - score_min) / (score_max - score_min) + return normalized.tolist() + + def _combine_scores( + self, normalized_scores: list[list[float]], num_candidates: int + ) -> list[float]: + """ + Combine normalized scores using the configured combination method. + + Args: + normalized_scores: List of normalized score lists (one per scorer) + num_candidates: Number of candidates + + Returns: + Combined scores + """ + if self.combination_method == "weighted_sum": + # Weighted sum of normalized scores + combined_scores = [0.0] * num_candidates + for i, normalized in enumerate(normalized_scores): + weight = self.weights[i] + for j, score in enumerate(normalized): + combined_scores[j] += weight * score + return combined_scores + + elif self.combination_method == "pareto": + # Pareto dominance: count how many objectives each candidate dominates + # Candidates on the Pareto frontier get higher scores + num_objectives = len(normalized_scores) + + # For each candidate, count how many other candidates it dominates + # A candidate dominates another if it's better in at least one objective + # and not worse in any objective + dominance_scores = [0.0] * num_candidates + for i in range(num_candidates): + for j in range(num_candidates): + if i == j: + continue + # Check if candidate i dominates candidate j + better_in_any = False + worse_in_any = False + for obj_idx in range(num_objectives): + if ( + normalized_scores[obj_idx][i] + > normalized_scores[obj_idx][j] + ): + better_in_any = True + elif ( + normalized_scores[obj_idx][i] + < normalized_scores[obj_idx][j] + ): + worse_in_any = True + + if better_in_any and not worse_in_any: + dominance_scores[i] += 1.0 + + # Normalize dominance scores to [0, 1] + dominance_array = np.array(dominance_scores) + if dominance_array.max() == dominance_array.min(): + return [1.0] * num_candidates # All equal + normalized_dominance = (dominance_array - dominance_array.min()) / ( + dominance_array.max() - dominance_array.min() + ) + return normalized_dominance.tolist() + + else: + raise ValueError(f"Unknown combination method: {self.combination_method}") + + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """ + Score candidates using all scorers and combine the scores. + + Returns combined scores where higher values are better, plus detailed results. + """ + if not candidates: + raise ValueError("No candidates provided") + + # Score with each scorer, collecting results + all_scores: list[list[float]] = [] + all_scorer_results: list[list[ScoreResult]] = [] + for scorer in self.scorers: + scores, results = scorer.score_candidates( + candidates, state, return_results=True + ) + if len(scores) != len(candidates): + raise ValueError( + f"Scorer {scorer} returned {len(scores)} scores for {len(candidates)} candidates" + ) + all_scores.append(scores) + all_scorer_results.append(results) + + # Normalize each scorer's scores + normalized_scores: list[list[float]] = [ + self._normalize_scores(scores) for scores in all_scores + ] + + # Combine scores + combined_scores = self._combine_scores(normalized_scores, len(candidates)) + + # Build combined results + score_results = [] + for i in range(len(candidates)): + # Collect per-scorer info for this candidate + scorer_details = [] + for j, scorer in enumerate(self.scorers): + scorer_details.append( + { + "scorer": getattr(scorer, "scorer_name", type(scorer).__name__), + "raw_score": all_scores[j][i], + "normalized_score": normalized_scores[j][i], + "weight": self.weights[j], + "details": all_scorer_results[j][i].details + if all_scorer_results[j][i].details + else {}, + } + ) + + score_results.append( + ScoreResult( + score=combined_scores[i], + scorer_name=self.scorer_name, + details={ + "combination_method": self.combination_method, + "scorer_breakdown": scorer_details, + }, + ) + ) + + return combined_scores, score_results diff --git a/made/agents/scorers/diversity.py b/made/agents/scorers/diversity.py new file mode 100644 index 0000000..f6cbceb --- /dev/null +++ b/made/agents/scorers/diversity.py @@ -0,0 +1,134 @@ +from typing import Any + +import numpy as np +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from ..base import Scorer, ScoreResult + + +class CompositionDiversity(Scorer): + scorer_name = "CompositionDiversity" + + def __init__( + self, distance_metric: str = "euclidean", seed: int | None = None + ) -> None: + self.distance_metric = distance_metric + self.rng = np.random.RandomState(seed) + + def get_state(self) -> dict[str, Any]: + """Get state for checkpointing.""" + return {} + + def load_state(self, state: dict[str, Any]) -> None: + """Load state from checkpoint.""" + + def update_state(self, state: dict[str, Any]) -> None: + pass + + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """ + Score candidates based on diversity from observed compositions. + + Returns scores where higher = more diverse (better). + """ + if not candidates: + raise ValueError("No candidates provided") + if len(candidates) == 1: + return [1.0], [ + ScoreResult( + score=1.0, + scorer_name=self.scorer_name, + details={"reason": "single candidate"}, + ) + ] + + observed = self._extract_observed_compositions(state) + if not observed: + # No observed compositions, return random scores + scores = [float(self.rng.rand()) for _ in candidates] + results = [ + ScoreResult( + score=s, + scorer_name=self.scorer_name, + details={"reason": "no observed compositions, random"}, + ) + for s in scores + ] + return scores, results + + all_comps = observed + [s.composition for s in candidates] + mat = self._compositions_to_matrix(all_comps) + n_obs = len(observed) + obs_mat = mat[:n_obs] + cand_mat = mat[n_obs:] + min_dists = self._compute_vectorized_distances(cand_mat, obs_mat) + # Return distances as scores (higher distance = more diverse = better) + scores = [float(d) for d in min_dists] + results = [ + ScoreResult( + score=s, + scorer_name=self.scorer_name, + details={ + "min_distance_to_observed": s, + "distance_metric": self.distance_metric, + }, + ) + for s in scores + ] + return scores, results + + def _extract_observed_compositions( + self, state: dict[str, Any] + ) -> list[Composition]: + compositions: list[Composition] = [] + if "phase_diagram_all_entries" in state: + for e in state["phase_diagram_all_entries"]: + if "composition" in e: + try: + compositions.append(Composition(e["composition"])) + except Exception: + continue + else: + raise ValueError( + "CompositionDiversity requires 'phase_diagram_all_entries' in state" + ) + return compositions + + def _compositions_to_matrix(self, compositions: list[Composition]) -> np.ndarray: + all_elements = set() + for comp in compositions: + all_elements.update(comp.elements) + sorted_elements = sorted(all_elements, key=lambda x: x.symbol) + element_to_idx = {el: i for i, el in enumerate(sorted_elements)} + mat = np.zeros((len(compositions), len(sorted_elements))) + for i, comp in enumerate(compositions): + fractional = comp.fractional_composition + for el, frac in fractional.items(): + j = element_to_idx[el] + mat[i, j] = frac + return mat + + def _compute_vectorized_distances( + self, candidate_matrix: np.ndarray, observed_matrix: np.ndarray + ) -> np.ndarray: + if self.distance_metric == "euclidean": + diff = candidate_matrix[:, None, :] - observed_matrix[None, :, :] + distances = np.sqrt(np.sum(diff**2, axis=2)) + elif self.distance_metric == "manhattan": + diff = candidate_matrix[:, None, :] - observed_matrix[None, :, :] + distances = np.sum(np.abs(diff), axis=2) + elif self.distance_metric == "cosine": + cand_norms = np.linalg.norm(candidate_matrix, axis=1, keepdims=True) + obs_norms = np.linalg.norm(observed_matrix, axis=1, keepdims=True) + cand_norms = np.where(cand_norms == 0, 1, cand_norms) + obs_norms = np.where(obs_norms == 0, 1, obs_norms) + cand_norm = candidate_matrix / cand_norms + obs_norm = observed_matrix / obs_norms + cos_sim = np.dot(cand_norm, obs_norm.T) + distances = 1.0 - cos_sim + else: + raise ValueError(f"Unknown distance metric: {self.distance_metric}") + return np.min(distances, axis=1) diff --git a/made/agents/scorers/llm.py b/made/agents/scorers/llm.py new file mode 100644 index 0000000..b452215 --- /dev/null +++ b/made/agents/scorers/llm.py @@ -0,0 +1,186 @@ +""" +LLM-based scorer that selects which candidate structure to evaluate next. +""" + +import logging +from typing import Any + +import dspy +from pymatgen.core.structure import Structure + +from ...utils.llm import ( + summarize_candidates_for_llm, + summarize_context_for_llm, +) +from ..base import Scorer, ScoreResult + +logger = logging.getLogger(__name__) + + +class CandidateScorerSignature(dspy.Signature): + """Choose the best candidate structure index based on the experiment context. + + OBJECTIVE: Find NOVEL, STABLE (or metastable) structures. + - Structures with e_above_hull <= stability_tolerance are stable/metastable (SUCCESS!) + - We want to MAXIMIZE the number of novel stable structures discovered + + KEY INSIGHT: Different structures for the SAME composition can have DIFFERENT stabilities! + - One unstable structure for a composition does NOT mean all structures for that composition are unstable + - Multiple different structures can exist as stable/metastable polymorphs at the same composition + - Don't dismiss a composition just because one structure was unstable - try different structures! + + SELECTION STRATEGY: + - Prioritize structures likely to be stable/metastable (within stability_tolerance) + - Consider both: new compositions (exploration) AND different structures for promising compositions (exploitation) + - Balance diversity across reduced compositions with depth at successful compositions + """ + + context: dict[str, Any] = dspy.InputField( + desc=( + "State of the current experiment, including stable/metastable structures (e_above_hull), " + "stability threshold, recent trials, composition trial counts, etc." + ) + ) + candidates: list[dict[str, Any]] = dspy.InputField( + desc=("List of candidate structures with their compositions and properties") + ) + stability_tolerance: float = dspy.InputField( + desc="e_above_hull threshold for stability. Structures with e_above_hull <= this are stable/metastable." + ) + + selected_index: int = dspy.OutputField( + desc="Zero-based index of the chosen candidate to evaluate next." + ) + + +class LLMScorer(Scorer): + scorer_name = "LLMScorer" + + def __init__( + self, + llm_config: dict[str, Any], + context_config: dict[str, Any], + max_candidates: int | None = None, + max_context_entries: int | None = None, + ) -> None: + """Initialize LLM Scorer. + + Args: + llm_config: LLM configuration (model, temperature, etc.) + context_config: Context configuration (include_structure_info, etc.) + max_candidates: Maximum candidates to show LLM. If exceeded, randomly samples. + max_context_entries: Maximum context entries to show LLM. If exceeded, + randomly samples while prioritizing stable/metastable entries. + """ + self.llm_config = llm_config + self.context_config = context_config + self.max_candidates = max_candidates + self.max_context_entries = max_context_entries + + signature = CandidateScorerSignature + # Allow overriding the tool instructions from config + if self.context_config.objective_prompt: + signature.instructions = self.context_config.objective_prompt + self.selector = dspy.ChainOfThought(signature) + self.history = [] + + # ---- Scorer API ---- + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """ + Score candidates using LLM selection. + + Returns scores where the selected candidate has score 1.0 (best) and + others have 0.0 (worst). Higher scores are better. + """ + if not candidates: + raise ValueError("No candidates provided") + + with dspy.settings.context( + lm=dspy.LM( + model=self.llm_config.model, + max_tokens=self.llm_config.max_output_tokens, + temperature=self.llm_config.temperature, + cache=self.llm_config.cache, + ) + ): + stability_tolerance = state.get("stability_tolerance", 1e-8) + context = summarize_context_for_llm( + state, + stability_tolerance=stability_tolerance, + include_structures=self.context_config.include_structure_info, + include_composition_counter=self.context_config.include_composition_counter, + include_recent_trial=self.context_config.include_recent_trial, + max_entries=self.max_context_entries, + ) + + # Get summaries with index mapping (for handling random sampling) + summaries, original_indices = summarize_candidates_for_llm( + candidates, + include_structures=self.context_config.include_structure_info, + max_candidates=self.max_candidates, + ) + + pred = self.selector( + context=context, + candidates=summaries, + stability_tolerance=stability_tolerance, + ) + self.history.append(pred.toDict()) + + # Map LLM's selected index back to original candidate index + llm_selected_index = pred.selected_index + if llm_selected_index < 0 or llm_selected_index >= len(summaries): + logger.warning( + f"LLMScorer selected index {llm_selected_index} out of range " + f"(summaries has {len(summaries)} items), using first" + ) + llm_selected_index = 0 + + # Map back to original candidate index + original_selected_index = original_indices[llm_selected_index] + + logger.info( + f"LLMScorer selected display_index={llm_selected_index} -> " + f"original_index={original_selected_index}, " + f"structure: {candidates[original_selected_index]}, " + f"reasoning: {pred.reasoning}" + ) + + # Return scores: selected has 1.0 (best), others have 0.0 (worst) + # Higher scores are better to match base class max() selection + scores = [0.0] * len(candidates) + scores[original_selected_index] = 1.0 + + # Build results with reasoning + reasoning = getattr(pred, "reasoning", None) + results = [] + for i, score in enumerate(scores): + results.append( + ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={ + "selected": i == original_selected_index, + "reasoning": reasoning + if i == original_selected_index + else None, + "was_shown_to_llm": i in original_indices, + }, + ) + ) + + return scores, results + + def get_state(self) -> dict[str, Any]: + """Get full state including history for checkpointing.""" + return {"history": self.history} # Full history + + def load_state(self, state: dict[str, Any]) -> None: + """Load full state including history from checkpoint.""" + if "history" in state: + self.history = state["history"] + + def update_state(self, state: dict[str, Any]) -> None: + pass diff --git a/made/agents/scorers/oracle.py b/made/agents/scorers/oracle.py new file mode 100644 index 0000000..821fd28 --- /dev/null +++ b/made/agents/scorers/oracle.py @@ -0,0 +1,321 @@ +""" +Surrogate Scorer - uses an oracle (MLIP) to evaluate structures and score them. + +This scorer acts as a surrogate model for pre-ranking candidates before ground-truth +oracle evaluation. It wraps any Oracle implementation (MACE, ORB, CHGNet, etc.) and +converts evaluation results into scores for selection. + +Key features: +- Batching: Evaluates multiple structures efficiently +- Caching: Avoids redundant surrogate evaluations +- Reranking: Can recompute e_above_hull scores when phase diagram changes (using cached energies) + +Note: This is NOT the ground-truth oracle - it's a surrogate model for candidate ranking. +""" + +import hashlib +import logging +from typing import Any + +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.structure import Structure + +from made.agents.base import Scorer, ScoreResult +from made.oracles.base import Oracle +from made.utils.convex_hull_utils import ( + safe_e_above_hull, + structure_result_to_entry, +) +from made.utils.structure_hash import structure_hash + +logger = logging.getLogger(__name__) + + +class OracleScorer(Scorer): + """ + Wrap any `Oracle` to score candidate structures (acts as a surrogate model). + + Supports caching and reranking when state changes. + Batching is handled internally by the oracle. + + Args: + oracle: Oracle instance used to evaluate structures (e.g., MACE, ORB, CHGNet) + score_function: One of "energy_per_atom", "formation_energy_per_atom", "e_above_hull" + enable_cache: Whether to cache oracle results (default: True) + rerank_on_state_change: Whether to recompute scores when state changes (default: False) + Only relevant for e_above_hull scoring. + """ + + scorer_name = "SurrogateScorer" # Default, overridden in __init__ + + def __init__( + self, + oracle: Oracle, + score_function: str = "energy_per_atom", + enable_cache: bool = True, + rerank_on_state_change: bool = False, + ) -> None: + self.oracle = oracle + self.score_function = score_function + self.enable_cache = enable_cache + self.rerank_on_state_change = rerank_on_state_change + + # Set scorer name to include oracle type for clarity + oracle_name = getattr(oracle, "name", oracle.__class__.__name__) + self.scorer_name = f"surrogate_{oracle_name}" + + logger.info( + f"[SurrogateScorer] Initialized with oracle={oracle_name}, score_function={score_function}, cache={enable_cache}" + ) + + # Cache: structure_hash -> oracle_result + self._cache: dict[str, dict[str, Any]] = {} + + # Track last phase diagram state for reranking detection + self._last_pd_state_hash: str | None = None + + def get_state(self) -> dict[str, Any]: + """Return scorer state including full cache.""" + return { + "cache": self._cache.copy(), # Full cache for checkpointing + "last_pd_state_hash": self._last_pd_state_hash, + } + + def load_state(self, state: dict[str, Any]) -> None: + """Load scorer state including full cache.""" + if "cache" in state: + self._cache = state["cache"].copy() + if "last_pd_state_hash" in state: + self._last_pd_state_hash = state["last_pd_state_hash"] + + def update_state(self, state: dict[str, Any]) -> None: + """Update scorer state.""" + # State tracking for reranking is now handled in score_candidates + + # ---- Scorer API ---- + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """ + Score all candidates with caching and return detailed results. + + Returns scores in the same order as candidates. + Batching is handled by the oracle internally. + """ + if not candidates: + raise ValueError("No candidates provided") + + # Hash all candidates + candidate_hashes = [structure_hash(c) for c in candidates] + + # Find uncached structures + uncached_indices: list[int] = [] + uncached_structures: list[Structure] = [] + + if not self.enable_cache: + uncached_indices = list(range(len(candidates))) + uncached_structures = candidates + logger.info( + f"[{self.scorer_name}] Cache disabled: evaluating all {len(candidates)} candidates" + ) + else: + for i, hash_key in enumerate(candidate_hashes): + if hash_key not in self._cache: + uncached_indices.append(i) + uncached_structures.append(candidates[i]) + + cached_count = len(candidates) - len(uncached_structures) + if cached_count > 0: + logger.info( + f"[{self.scorer_name}] Cache hit: {cached_count}/{len(candidates)} candidates" + ) + if uncached_structures: + logger.info( + f"[{self.scorer_name}] Evaluating {len(uncached_structures)}/{len(candidates)} candidates" + ) + + # Evaluate uncached structures (oracle handles batching internally) + if uncached_structures: + logger.info( + f"[{self.scorer_name}] Calling batch_evaluate for {len(uncached_structures)} structures" + ) + results = self.oracle.batch_evaluate(uncached_structures) + + # Store results in cache + if self.enable_cache: + for i, hash_key in enumerate( + [candidate_hashes[idx] for idx in uncached_indices] + ): + self._cache[hash_key] = results[i] + logger.info( + f"[{self.scorer_name}] Cached {len(uncached_indices)} evaluations " + f"(total cache size: {len(self._cache)})" + ) + + # For e_above_hull with reranking enabled, check if we can skip oracle evaluation + # and recompute using cache (when state changed and all candidates are cached) + if ( + self.score_function == "e_above_hull" + and self.rerank_on_state_change + and self.enable_cache + ): + pd_entries_dicts = state.get("phase_diagram_all_entries") + if pd_entries_dicts: + pd_state_str = str(sorted(str(e) for e in pd_entries_dicts)) + current_pd_state_hash = hashlib.sha256( + pd_state_str.encode("utf-8") + ).hexdigest() + + # If state changed and all candidates are cached, recompute e_above_hull using cache + if ( + self._last_pd_state_hash is not None + and current_pd_state_hash != self._last_pd_state_hash + ): + missing_from_cache = [ + i + for i, hash_key in enumerate(candidate_hashes) + if hash_key not in self._cache + ] + if not missing_from_cache: + # Fast path: recompute e_above_hull using cached energies (no surrogate evaluation needed) + logger.info( + f"[{self.scorer_name}] Phase diagram updated: recomputing e_above_hull for " + f"{len(candidates)} candidates using cached energies (fast reranking)" + ) + pd = PhaseDiagram( + [PDEntry.from_dict(e) for e in pd_entries_dicts] + ) + scores = [] + score_results = [] + for structure in candidates: + hash_key = structure_hash(structure) + result = self._cache[hash_key] + candidate_entry = structure_result_to_entry( + structure, result + ) + e_hull = float(safe_e_above_hull(pd, candidate_entry)) + # Negate so lower e_above_hull → higher score (better) + score = -e_hull + scores.append(score) + score_results.append( + ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={ + "score_function": self.score_function, + "e_above_hull": e_hull, + "energy_per_atom": result.get( + "energy_per_atom" + ), + "cached": True, + "reranked": True, + }, + ) + ) + # Update state hash + self._last_pd_state_hash = current_pd_state_hash + return scores, score_results + else: + logger.warning( + f"[{self.scorer_name}] Phase diagram updated but {len(missing_from_cache)}/{len(candidates)} " + f"candidates missing from cache. Falling back to normal evaluation." + ) + + # Update state hash (first time or no change) + self._last_pd_state_hash = current_pd_state_hash + + # Collect all surrogate results (normal path or first time with reranking) + oracle_results = [] + cache_failures = [] + for i, hash_key in enumerate(candidate_hashes): + if self.enable_cache and hash_key in self._cache: + oracle_results.append(self._cache[hash_key]) + else: + # Shouldn't happen if caching worked, but fallback + if self.enable_cache: + cache_failures.append(i) + result = self.oracle.evaluate(candidates[i]) + if self.enable_cache: + self._cache[hash_key] = result + oracle_results.append(result) + + if cache_failures: + logger.warning( + f"[{self.scorer_name}] Cache failure: {len(cache_failures)} candidates not in cache. " + f"Evaluated individually as fallback." + ) + + # Compute scores from surrogate results + # Note: We negate energy-based scores so that higher scores = better + # (lower energy → higher negated score → better) + scores = [] + score_results = [] + if self.score_function == "energy_per_atom": + for result in oracle_results: + if "energy_per_atom" not in result: + raise KeyError( + f"[{self.scorer_name}] Result missing required key 'energy_per_atom' for score_function='{self.score_function}'. Available: {list(result.keys())}" + ) + energy = float(result["energy_per_atom"]) + # Negate so lower energy → higher score (better) + score = -energy + scores.append(score) + score_results.append( + ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={ + "score_function": self.score_function, + "energy_per_atom": energy, + }, + ) + ) + elif self.score_function in ["formation_energy_per_atom", "e_above_hull"]: + # Build PD from observed entries in state + pd_entries_dicts = state.get("phase_diagram_all_entries") + if not pd_entries_dicts: + raise ValueError( + "State must provide 'phase_diagram_all_entries' to compute formation energy or e_above_hull." + ) + pd = PhaseDiagram([PDEntry.from_dict(e) for e in pd_entries_dicts]) + + for structure, result in zip(candidates, oracle_results, strict=True): + # Create PDEntry for candidate from oracle results + candidate_entry = structure_result_to_entry(structure, result) + + if self.score_function == "formation_energy_per_atom": + form_energy = float(pd.get_form_energy_per_atom(candidate_entry)) + # Negate so lower formation energy → higher score (better) + score = -form_energy + scores.append(score) + score_results.append( + ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={ + "score_function": self.score_function, + "formation_energy_per_atom": form_energy, + "energy_per_atom": result.get("energy_per_atom"), + }, + ) + ) + else: + e_hull = float(safe_e_above_hull(pd, candidate_entry)) + # Negate so lower e_above_hull → higher score (better) + score = -e_hull + scores.append(score) + score_results.append( + ScoreResult( + score=score, + scorer_name=self.scorer_name, + details={ + "score_function": self.score_function, + "e_above_hull": e_hull, + "energy_per_atom": result.get("energy_per_atom"), + }, + ) + ) + else: + raise ValueError(f"Invalid score function: {self.score_function}") + + return scores, score_results diff --git a/made/agents/scorers/random.py b/made/agents/scorers/random.py new file mode 100644 index 0000000..8f52445 --- /dev/null +++ b/made/agents/scorers/random.py @@ -0,0 +1,34 @@ +from typing import Any + +import numpy as np +from pymatgen.core.structure import Structure + +from ..base import Scorer, ScoreResult + + +class RandomSelector(Scorer): + scorer_name = "RandomSelector" + + def __init__(self, seed: int | None = None) -> None: + self.rng = np.random.RandomState(seed) + + def get_state(self) -> dict[str, Any]: + """Get state for checkpointing.""" + return {} + + def load_state(self, state: dict[str, Any]) -> None: + """Load state from checkpoint.""" + + def update_state(self, state: dict[str, Any]) -> None: + pass + + def _score_with_results( + self, candidates: list[Structure], state: dict[str, Any] + ) -> tuple[list[float], list[ScoreResult]]: + """Score candidates with random values.""" + if not candidates: + raise ValueError("No candidates provided") + + scores = [float(self.rng.rand()) for _ in candidates] + results = [ScoreResult(score=s, scorer_name=self.scorer_name) for s in scores] + return scores, results diff --git a/made/agents/workflow.py b/made/agents/workflow.py new file mode 100644 index 0000000..5c394e3 --- /dev/null +++ b/made/agents/workflow.py @@ -0,0 +1,53 @@ +""" +Workflow Agent - One-shot strategy for materials discovery. + +Uses the standard workflow: plan → generate → filter → score → select +""" + +import logging +from typing import Any + +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +from made.agents.base import Plan, WorkflowAgent + +logger = logging.getLogger(__name__) + + +class OneShotWorkflowAgent(WorkflowAgent): + """ + Workflow agent with one-shot strategy: plan once, generate once, select once. + + This is the standard agent for the planner → generator → filter → scorer workflow. + """ + + def propose_composition_and_structure( + self, state: dict[str, Any] + ) -> tuple[Composition, Structure]: + logger.info("Proposing compositions") + plan: Plan = self.planner.propose(state) + logger.info(f"Proposed {len(plan.compositions)} compositions") + logger.info(f"Generating candidates for {plan.compositions}") + candidates = self.generator.generate(plan, state) + logger.info(f"Generated {len(candidates)} candidates") + if not candidates: + raise RuntimeError("No candidate structures generated") + + # Apply filter + logger.info(f"Filtering {len(candidates)} candidates") + filtered_candidates = self.filter.filter(candidates, state) + logger.info(f"Filtered to {len(filtered_candidates)} candidates") + if not filtered_candidates: + # Fallback: if all candidates are filtered out, use original candidates + logger.warning( + "All candidate structures were filtered out. " + "Falling back to unfiltered candidates." + ) + filtered_candidates = candidates + + logger.info(f"Selecting from {len(filtered_candidates)} candidates") + struct = self.scorer.select(filtered_candidates, state) + logger.info(f"Selected {struct.composition.formula}") + logger.info(f"Selected structure: {struct}") + return struct.composition, struct diff --git a/made/data/__init__.py b/made/data/__init__.py new file mode 100644 index 0000000..883d285 --- /dev/null +++ b/made/data/__init__.py @@ -0,0 +1,5 @@ +from .chemical_system import PhaseDiagramDataset + +__all__ = [ + "PhaseDiagramDataset", +] diff --git a/made/data/chemical_system.py b/made/data/chemical_system.py new file mode 100644 index 0000000..a82fffe --- /dev/null +++ b/made/data/chemical_system.py @@ -0,0 +1,168 @@ +""" +Data utilities for generating and serving Phase Diagram ground-truth datasets. +""" + +import logging +import os + +from mp_api.client import MPRester +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.structure import Structure + +from made.utils.convex_hull_utils import ( + extract_structure_from_entry, + safe_e_above_hull, +) + +logger = logging.getLogger(__name__) + + +class PhaseDiagramDataset: + """ + Ground-truth phase diagram for a chemical system pulled from Materials Project. + + Provides the Materials Project `PhaseDiagram` and convenience accessors for + elemental references and stable entries. + + IMPORTANT: This dataset is intentionally unfiltered (except for thermo_types). + It provides the raw Materials Project data. Task-specific filtering (SMACT, + max_stoichiometry, energy-above-hull) is applied at the Environment level to + define the "effective ground truth" for discovery tasks. This separation allows + the same dataset to be reused for different task difficulties. + """ + + def __init__( + self, + elements: list[str], + thermo_types: list[str] | None = None, + ): + self.elements = list(elements) + self.thermo_types = thermo_types or ["GGA_GGA+U"] + self.dataset = self._load_dataset() + self._ground_truth_pd: PhaseDiagram = self.dataset + + def _load_dataset(self) -> PhaseDiagram: + api_key = os.environ.get("MATERIALS_PROJECT_API_KEY") + if not api_key: + raise RuntimeError( + "Environment variable MATERIALS_PROJECT_API_KEY must be set with a valid Materials Project API key." + ) + + with MPRester(api_key) as mpr: + entries = mpr.get_entries_in_chemsys( + elements=self.elements, + additional_criteria={"thermo_types": self.thermo_types}, + ) + + # Ensure all entries have structures properly attached in attributes + entries_with_structures = [] + for entry in entries: + if hasattr(entry, "structure") and entry.structure is not None: + # Create new PDEntry with structure in attribute for consistency with oracle entries + new_entry = PDEntry( + composition=entry.composition, + energy=entry.energy, + attribute={ + "structure": entry.structure.as_dict(), + }, + ) + entries_with_structures.append(new_entry) + else: + logger.warning(f"Entry {entry} does not have a structure, skipping") + + logger.info( + f"Loaded {len(entries_with_structures)} entries with structures from Materials Project" + ) + return PhaseDiagram(entries_with_structures) + + def get_ground_truth_pd(self) -> PhaseDiagram: + return self._ground_truth_pd + + def get_all_entries(self): + return self._ground_truth_pd.all_entries + + def get_elemental_reference_entries(self) -> list[PDEntry]: + # Pymatgen exposes elemental references for the PD + return list(self._ground_truth_pd.el_refs.values()) + + def get_stable_entries(self, epsilon: float | None = None) -> list[PDEntry]: + """Return entries that are on or within epsilon of the convex hull. + + Args: + epsilon: Energy-above-hull threshold (eV/atom). If None or <= 0, + returns strictly stable entries on the hull. + """ + if epsilon is None or epsilon <= 0: + return list(self._ground_truth_pd.stable_entries) + + near_stable: list[PDEntry] = [] + for entry in self._ground_truth_pd.all_entries: + try: + if float(safe_e_above_hull(self._ground_truth_pd, entry)) <= float( + epsilon + ): + near_stable.append(entry) + except Exception: + # If e_above_hull fails for any entry, skip it for robustness + continue + return near_stable + + def get_stable_structures(self, epsilon: float | None = None) -> list[Structure]: + """Get structures from (near-)stable entries for oracle evaluation. + + Args: + epsilon: Energy-above-hull threshold (eV/atom). If None or <= 0, + uses strictly stable entries. + """ + structures = [] + for entry in self.get_stable_entries(epsilon=epsilon): + structure = extract_structure_from_entry(entry) + if structure is not None: + structures.append(structure) + else: + raise ValueError(f"Entry {entry} does not have an accessible structure") + return structures + + def get_elemental_structures(self) -> list[Structure]: + """Get structures from elemental reference entries for oracle evaluation.""" + structures = [] + for entry in self.get_elemental_reference_entries(): + structure = extract_structure_from_entry(entry) + if structure is not None: + structures.append(structure) + else: + raise ValueError( + f"Elemental entry {entry} does not have an accessible structure" + ) + return structures + + def get_stable_entries_with_structures( + self, epsilon: float | None = None + ) -> list[tuple[PDEntry, Structure]]: + """Get both PDEntry and Structure objects for (near-)stable entries. + + Args: + epsilon: Energy-above-hull threshold (eV/atom). If None or <= 0, + uses strictly stable entries. + """ + entries_with_structures = [] + for entry in self.get_stable_entries(epsilon=epsilon): + structure = extract_structure_from_entry(entry) + if structure is not None: + entries_with_structures.append((entry, structure)) + else: + raise ValueError(f"Entry {entry} does not have an accessible structure") + return entries_with_structures + + def get_elemental_entries_with_structures(self) -> list[tuple[PDEntry, Structure]]: + """Get both PDEntry and Structure objects for elemental reference entries.""" + entries_with_structures = [] + for entry in self.get_elemental_reference_entries(): + structure = extract_structure_from_entry(entry) + if structure is not None: + entries_with_structures.append((entry, structure)) + else: + raise ValueError( + f"Elemental entry {entry} does not have an accessible structure" + ) + return entries_with_structures diff --git a/made/envs/__init__.py b/made/envs/__init__.py new file mode 100644 index 0000000..d0c3e5f --- /dev/null +++ b/made/envs/__init__.py @@ -0,0 +1,5 @@ +from .convex_hull import ConvexHullEnvironment + +__all__ = [ + "ConvexHullEnvironment", +] diff --git a/made/envs/base.py b/made/envs/base.py new file mode 100644 index 0000000..45d5fd5 --- /dev/null +++ b/made/envs/base.py @@ -0,0 +1,52 @@ +""" +Base environment for experimental design benchmarks +""" + +from abc import ABC, abstractmethod +from typing import Any + +from made.data.chemical_system import PhaseDiagramDataset +from made.oracles.base import Oracle + + +class Environment(ABC): + """ + Base environment for experimental design benchmarks. + + Key components: + - budget: the maximum number of queries to make + - dataset: the dataset of structures to query + - oracle: the oracle to use for querying the structures + - history: the history of queries and their results + - done: whether the environment is done + """ + + def __init__(self, dataset: PhaseDiagramDataset, oracle: Oracle, budget: int): + self.budget = budget + self.query_count = 0 + self.dataset = dataset + self.oracle = oracle + self.history = [] + self.done = False + + def is_done(self) -> bool: + """Check if budget is exhausted or objective is met.""" + return self.done or self.query_count >= self.budget + + @abstractmethod + def reset(self): + """ + Reset the environment + """ + + @abstractmethod + def step(self, query: Any) -> Any: + """ + Step the environment + """ + + @abstractmethod + def get_state(self): + """ + Get the state of the environment + """ diff --git a/made/envs/convex_hull.py b/made/envs/convex_hull.py new file mode 100644 index 0000000..7c09277 --- /dev/null +++ b/made/envs/convex_hull.py @@ -0,0 +1,841 @@ +""" +Convex hull exploration environment. + +Maintains an observed phase diagram that starts from elemental references and +is updated with each oracle-evaluated proposal. Computes formation energies and +energy-above-hull relative to both the observed PD and the ground-truth PD from +the dataset, and tracks discovery metrics against the ground truth. + +IMPORTANT: Dataset vs Environment Filtering +------------------------------------------- +The PhaseDiagramDataset provides raw, unfiltered data from Materials Project (only +thermo_types filtering). The ConvexHullEnvironment applies task-specific filters to +define the "effective ground truth" for discovery: + - filter_by_smact: Exclude chemically implausible phases + - max_stoichiometry: Exclude phases with too many atoms per unit cell + - stability_tolerance + include_near_stable_from_ground_truth: Include/exclude + phases near the convex hull + +All discovery metrics (recall, precision, novelty) are computed against this +filtered ground truth, not the raw dataset. This allows the same dataset to be +reused for different discovery task difficulties. +""" + +import logging +from typing import Any + +import matplotlib.pyplot as plt +from pymatgen.analysis.phase_diagram import PDEntry, PDPlotter, PhaseDiagram +from pymatgen.analysis.structure_matcher import StructureMatcher +from pymatgen.core.structure import Structure + +from made.data.chemical_system import PhaseDiagramDataset +from made.envs.base import Environment +from made.evaluation import ( + CompositionDiversityMetrics, + ConvexHullMetrics, + DiscoveryCurveMetrics, + NoveltyMetrics, + ReferenceMetrics, + StructureDiversityMetrics, + ValidityMetrics, +) +from made.evaluation.metrics import is_smact_valid +from made.oracles.base import Oracle +from made.utils.convex_hull_utils import ( + extract_structure_from_entry, + formulas_within_epsilon, + safe_e_above_hull, + structure_result_to_entry, +) + +logger = logging.getLogger(__name__) + + +class ConvexHullEnvironment(Environment): + """Environment for phase-diagram (convex hull) discovery. + + Tracks both formula-based and structure-based discovery metrics: + - Formula-based: Traditional phase diagram metrics (recall, precision) + - Structure-based: Structural novelty using pymatgen StructureMatcher + + Args: + budget: Maximum number of oracle queries allowed + dataset: PhaseDiagramDataset containing ground truth phase diagram + oracle: Oracle for energy evaluation + start_with_all_stable: If True, start with all stable entries re-evaluated by oracle. + If False, start with elemental references only (default) + compute_elemental_from_oracle: If True, compute elemental reference energies + using oracle from dataset structures (default) + stability_tolerance: Energy tolerance (eV/atom) for considering a phase stable + relative to the convex hull (default: 1e-8). Also used as the + epsilon for near-stable inclusion when the flag below is true. + include_near_stable_from_ground_truth: If true, treat ground-truth entries within + stability_tolerance of the hull as part of the stable set for + initialization and target metrics; if false, use strictly stable only. + structure_matcher_ltol: The maximum absolute length difference for matching two structures. + structure_matcher_stol: The maximum absolute site tolerance for matching two structures. + structure_matcher_angle_tol: The maximum absolute angle difference for matching two structures. + structure_matcher_primitive_cell: If True, use the primitive cell for matching two structures. + filter_by_smact: If True, filter out entries that don't pass SMACT validity checks + from the ground truth phase diagram on initialization. + max_stoichiometry: If specified, filter out entries with number of atoms in the unit cell + greater than this value (default: None, no filtering). + """ + + def __init__( + self, + dataset: PhaseDiagramDataset, + oracle: Oracle, + budget: int, + start_with_all_stable: bool = False, + compute_elemental_from_oracle: bool = True, + stability_tolerance: float = 1e-8, + include_near_stable_from_ground_truth: bool = False, + structure_matcher_ltol: float = 0.2, + structure_matcher_stol: float = 0.3, + structure_matcher_angle_tol: float = 5, + structure_matcher_primitive_cell: bool = True, + filter_by_smact: bool = False, + max_stoichiometry: int | None = None, + ): + super().__init__(dataset, oracle, budget) + + if not isinstance(dataset, PhaseDiagramDataset): + raise TypeError( + "ConvexHullEnvironment requires a PhaseDiagramDataset as the dataset." + ) + + self.start_with_all_stable = start_with_all_stable + self.compute_elemental_from_oracle = compute_elemental_from_oracle + self.stability_tolerance = stability_tolerance + self.include_near_stable_from_ground_truth = bool( + include_near_stable_from_ground_truth + ) + self.filter_by_smact = filter_by_smact + self.max_stoichiometry = max_stoichiometry + # Initialize structure matcher for novelty detection + self.structure_matcher = StructureMatcher( + ltol=structure_matcher_ltol, + stol=structure_matcher_stol, + angle_tol=structure_matcher_angle_tol, + primitive_cell=structure_matcher_primitive_cell, + ) + # Persist matcher parameters for use in other metrics + self.structure_matcher_ltol = structure_matcher_ltol + self.structure_matcher_stol = structure_matcher_stol + self.structure_matcher_angle_tol = structure_matcher_angle_tol + + # Ground-truth PD from dataset + ground_truth_pd = dataset.get_ground_truth_pd() + + # Filter by SMACT validity and/or max stoichiometry if requested + if self.filter_by_smact or self.max_stoichiometry is not None: + filtered_entries = [] + for entry in ground_truth_pd.all_entries: + structure = extract_structure_from_entry(entry) + + # Apply max stoichiometry filter (number of atoms in unit cell) + if self.max_stoichiometry is not None and structure is not None: + num_atoms = structure.num_sites + if num_atoms > self.max_stoichiometry: + continue + + # Apply SMACT filter + if self.filter_by_smact: + if structure is not None and is_smact_valid(structure): + filtered_entries.append(entry) + elif structure is None: + # Keep entries without structures (e.g., elemental references) + filtered_entries.append(entry) + else: + filtered_entries.append(entry) + + filter_msg = [] + if self.filter_by_smact: + filter_msg.append("SMACT-valid") + if self.max_stoichiometry is not None: + filter_msg.append(f"num_atoms<={self.max_stoichiometry}") + logger.info( + f"Filtered ground truth PD from {len(ground_truth_pd.all_entries)} to " + f"{len(filtered_entries)} entries ({', '.join(filter_msg)})" + ) + self.ground_truth_pd: PhaseDiagram = PhaseDiagram(filtered_entries) + else: + self.ground_truth_pd: PhaseDiagram = ground_truth_pd + + # Extract ground-truth stable structures and formulas from the filtered PD + # (optionally include near-stable entries within stability_tolerance) + epsilon_gt = ( + self.stability_tolerance + if self.include_near_stable_from_ground_truth + else 0.0 + ) + self.ground_truth_stable_structures: list[Structure] = [] + self.ground_truth_stable_formulas: set[str] = set() + + # Compute stable entries from the already-filtered ground truth PD + for entry in self.ground_truth_pd.all_entries: + e_above_hull = safe_e_above_hull(self.ground_truth_pd, entry) + if e_above_hull <= epsilon_gt: + structure = extract_structure_from_entry(entry) + self.ground_truth_stable_formulas.add( + entry.composition.reduced_composition.alphabetical_formula + ) + if structure is not None: + self.ground_truth_stable_structures.append(structure) + # Compute elemental energies using oracle if requested + if self.compute_elemental_from_oracle: + self._compute_elemental_energies_with_oracle() + + # Initialize observed PD - either with elemental references only or all stable entries + if self.start_with_all_stable: + # Include (near-)stable entries from ground truth, re-evaluated with oracle + self.observed_entries: list[PDEntry] = ( + self._get_oracle_evaluated_stable_entries() + ) + logger.info( + f"Starting PD with {len(self.observed_entries)} oracle-evaluated (near-)stable entries (epsilon={epsilon_gt})" + ) + else: + # Start with elemental references only, + self.observed_entries: list[PDEntry] = ( + self._get_oracle_evaluated_elemental_entries() + ) + logger.info( + f"Starting PD with {len(self.observed_entries)} elemental reference entries" + ) + + self.observed_pd: PhaseDiagram = PhaseDiagram(self.observed_entries) + + # Store initial structures for novelty comparison + self.initial_structures: list[Structure] = self._get_initial_structures() + + # Track formulas within the observed stability tolerance at initialization + self.initial_observed_stable_formulas: set[str] = formulas_within_epsilon( + self.observed_pd, self.stability_tolerance + ) + # Cache GT items missing at initialization (formulas and structures) + self.gt_formulas_missing_initial: set[str] = ( + self.ground_truth_stable_formulas - self.initial_observed_stable_formulas + ) + # Precompute ground-truth stable structures that were not present initially + self.gt_structures_missing_initial: list[Structure] = [] + for gt_struct in self.ground_truth_stable_structures: + matches_initial = False + for init_struct in self.initial_structures: + try: + if self.structure_matcher.fit(gt_struct, init_struct): + matches_initial = True + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {gt_struct.composition} and {init_struct.composition}: {e}" + ) + # Treat as non-matching on error + if not matches_initial: + self.gt_structures_missing_initial.append(gt_struct) + + # Track metrics over time + self.metrics_history: list[dict[str, Any]] = [] + + # Track proposed structures and metrics + self.proposed_entries: list[PDEntry] = [] + + # Track newly discovered entries (structures are in PDEntry attributes) + self.newly_discovered_entries: list[PDEntry] = [] + + # ---- Lifecycle ---- + def reset(self) -> dict[str, Any]: + self.query_count = 0 + self.history = [] + + # Reset observed PD based on initialization setting + if self.start_with_all_stable: + self.observed_entries = self._get_oracle_evaluated_stable_entries() + message = f"Environment reset: {len(self.observed_entries)} oracle-evaluated (near-)stable entries." + else: + self.observed_entries = self._get_oracle_evaluated_elemental_entries() + message = "Environment reset: elemental references only." + + self.observed_pd = PhaseDiagram(self.observed_entries) + self.initial_observed_stable_formulas = formulas_within_epsilon( + self.observed_pd, self.stability_tolerance + ) + self.metrics_history = [] + + # Reset proposal tracking + self.proposed_entries = [] + + # Reset novelty tracking + self.initial_structures = self._get_initial_structures() + # Recompute caches for GT items missing at initialization + self.gt_formulas_missing_initial = ( + self.ground_truth_stable_formulas - self.initial_observed_stable_formulas + ) + self.gt_structures_missing_initial = [] + for gt_struct in self.ground_truth_stable_structures: + matches_initial = False + for init_struct in self.initial_structures: + try: + if self.structure_matcher.fit(gt_struct, init_struct): + matches_initial = True + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {gt_struct.composition} and {init_struct.composition}: {e}" + ) + # Treat as non-matching on error + if not matches_initial: + self.gt_structures_missing_initial.append(gt_struct) + self.newly_discovered_entries: list[PDEntry] = [] + + self.done = False + return {"message": message} + + # ---- Interaction ---- + def step(self, proposal: Structure) -> tuple[dict[str, Any], bool]: + if self.is_done(): + raise RuntimeError("Environment is done. Reset required.") + + oracle_result = self.oracle.evaluate(proposal) + self.query_count += 1 + + # Convert oracle result to PDEntry + pd_entry = structure_result_to_entry(proposal, oracle_result) + + # Add to proposed entries list for tracking + self.proposed_entries.append(pd_entry) + + # Update observed PD with new entry + self.observed_entries.append(pd_entry) + self.observed_pd = PhaseDiagram(self.observed_entries) + + # Compute energies and stabilities vs observed PD only for the observation + obs_e_form_pa = self.observed_pd.get_form_energy_per_atom(pd_entry) + obs_ehull = self._safe_e_above_hull(self.observed_pd, pd_entry) + is_obs_stable = obs_ehull <= self.stability_tolerance + + reduced_formula = pd_entry.composition.reduced_composition.alphabetical_formula + + # Check if this is a newly discovered structure (structurally novel) and add to newly_discovered_entries + is_newly_discovered = self._check_structural_novelty(pd_entry) + + # Compute validity metrics for this individual proposal + proposal_validity = ValidityMetrics.calculate(structures=[proposal]) + + # Update top-line discovery metrics (internal) and add to metrics_history + self._compute_metrics() + + # Do not include any ground-truth-derived values in the observation + obs = { + "proposal": proposal, + "oracle_result": oracle_result, + "reduced_formula": str(reduced_formula), + "formation_energy_per_atom": float(obs_e_form_pa), + "energy_per_atom": float(oracle_result["energy_per_atom"]), + "e_above_hull": float(obs_ehull), + "is_stable": bool(is_obs_stable), + "is_newly_discovered": bool(is_newly_discovered), + **{f"validity_{k}": v for k, v in proposal_validity.items()}, + } + + self.history.append(obs) + + # Stop when budget exhausted + done = self.is_done() + return obs, done + + # ---- Accessors ---- + def get_state(self) -> dict[str, Any]: + """Return the current state of the environment.""" + last_observation = self.history[-1] if self.history else None + if last_observation and isinstance(last_observation["proposal"], Structure): + last_observation["proposal"] = last_observation["proposal"].as_dict() + return { + "query_count": self.query_count, + "elements": [str(e) for e in self.dataset.elements], + "phase_diagram_all_entries": [ + e.as_dict() for e in self.observed_pd.all_entries + ], + "last_observation": last_observation, + "stability_tolerance": self.stability_tolerance, + } + + def get_pd_plot( + self, + ground_truth: bool = False, + show_unstable: float = 1.0, + backend: str = "plotly", + show: bool = False, + ): + """Get a plot of the phase diagram. + + Args: + ground_truth: Whether to plot the ground truth PD. If False, plots the observed PD. + show_unstable: The energy above hull threshold for showing unstable phases. + backend: The backend to use for plotting. + show: Whether to show the plot. + """ + fig = PDPlotter( + self.ground_truth_pd if ground_truth else self.observed_pd, + show_unstable=show_unstable, + backend=backend, + ).get_plot() + if show: + if backend == "plotly": + fig.show() + elif backend == "matplotlib": + plt.show() + return fig + + def get_stable_entries(self, epsilon: float | None = None) -> list[PDEntry]: + """Return observed entries on or within epsilon of the hull. + + Args: + epsilon: eV/atom threshold. If None or <= 0, returns strictly stable entries. + """ + if epsilon is None or epsilon <= 0: + return list(self.observed_pd.stable_entries) + entries: list[PDEntry] = [] + for e in self.observed_pd.all_entries: + try: + if float(self._safe_e_above_hull(self.observed_pd, e)) <= float( + epsilon + ): + entries.append(e) + except Exception: + continue + return entries + + # ---- Evaluation-only accessors (may include ground-truth-derived metrics) ---- + def get_metrics_history(self) -> list[dict[str, Any]]: + return list(self.metrics_history) + + def get_latest_metrics(self) -> dict[str, Any]: + return self.metrics_history[-1] if self.metrics_history else {} + + def get_proposal_structures(self) -> list[Structure]: + """Get all proposed structures. + + Returns a list of all structures that were proposed, excluding initial structures. + """ + structures = [] + for entry in self.proposed_entries: + struct = extract_structure_from_entry(entry) + if struct is not None: + structures.append(struct) + return structures + + # ---- Helpers ---- + + def _compute_metrics(self) -> dict[str, Any]: + """Compute comprehensive discovery metrics including structural novelty.""" + + ##### deprecated metrics, kept for backwards compatibility + observed_stable_formulas = formulas_within_epsilon( + self.observed_pd, self.stability_tolerance + ) + gt_stable = self.ground_truth_stable_formulas + # Only count newly observed stable formulas that were not present at initialization + new_observed_stable_formulas = ( + observed_stable_formulas - self.initial_observed_stable_formulas + ) + correct_new = new_observed_stable_formulas & gt_stable + + num_obs = len(observed_stable_formulas) + num_gt = len(gt_stable) + num_correct_new = len(correct_new) + # Denominator is the number of ground-truth stable formulas that were NOT present initially (cached) + num_gt_missing_initial = len(self.gt_formulas_missing_initial) + recall_formula = ( + num_correct_new / num_gt_missing_initial + if num_gt_missing_initial > 0 + else 0.0 + ) + # precision is the number of correct new formulas divided by the number of queries used + precision_formula = ( + num_correct_new / self.query_count if self.query_count > 0 else 0.0 + ) + + # New structure-based novelty metrics + num_newly_discovered = len(self.newly_discovered_entries) + discovery_efficiency = ( + num_newly_discovered / self.query_count if self.query_count > 0 else 0.0 + ) + + # Stable newly discovered structures + num_newly_discovered_stable = len( + [ + entry + for entry in self.newly_discovered_entries + if self._safe_e_above_hull(self.observed_pd, entry) + <= self.stability_tolerance + ] + ) + + stable_discovery_efficiency = ( + num_newly_discovered_stable / self.query_count + if self.query_count > 0 + else 0.0 + ) + + # Ground-truth structure-based precision/recall using cached missing-initial set + # Count how many unique GT structures (from the missing-initial set) have been discovered + matched_gt_indices: set[int] = set() + for discovered_entry in self.newly_discovered_entries: + disc_struct = extract_structure_from_entry(discovered_entry) + if disc_struct is None: + continue + for idx, gt_struct in enumerate(self.gt_structures_missing_initial): + if idx in matched_gt_indices: + continue + try: + if self.structure_matcher.fit(disc_struct, gt_struct): + matched_gt_indices.add(idx) + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {disc_struct.composition} and {gt_struct.composition}: {e}" + ) + # Treat as non-matching on error, continue to next structure + + num_gt_structures_missing_initial = len(self.gt_structures_missing_initial) + num_correct_structures = len(matched_gt_indices) + recall_structure = ( + num_correct_structures / num_gt_structures_missing_initial + if num_gt_structures_missing_initial > 0 + else 0.0 + ) + precision_structure = ( + num_correct_structures / self.query_count if self.query_count > 0 else 0.0 + ) + + metrics = { + "queries_used": self.query_count, + # Formula-based metrics + "num_observed_stable_formulas": num_obs, + "num_ground_truth_stable_formulas": num_gt, + "num_gt_formulas_missing_initial": num_gt_missing_initial, + "num_correct_stable_formulas": num_correct_new, + "recall_formula": recall_formula, + "precision_formula": precision_formula, + # Structure-based novelty metrics + "num_newly_discovered_structures": num_newly_discovered, + "num_newly_discovered_stable": num_newly_discovered_stable, + "discovery_efficiency": discovery_efficiency, + "stable_discovery_efficiency": stable_discovery_efficiency, + "num_initial_structures": len(self.initial_structures), + # Ground-truth structure-based metrics (excluding initial) + "num_ground_truth_stable_structures": len( + self.ground_truth_stable_structures + ), + "num_gt_structures_missing_initial": num_gt_structures_missing_initial, + "num_correct_stable_structures": num_correct_structures, + "recall_structure": recall_structure, + "precision_structure": precision_structure, + } + + ####### new metrics + + # Extract structures from proposed entries for metrics + proposed_structures: list[Structure] = [] + stable_proposed_structures: list[Structure] = [] + newly_discovered_structures: list[Structure] = [] + stable_flags: list[bool] = [] + + for entry in self.proposed_entries: + structure = extract_structure_from_entry(entry) + if structure is None: + continue + + proposed_structures.append(structure) + + hull_dist = self._safe_e_above_hull(self.observed_pd, entry) + is_stable_flag = hull_dist <= self.stability_tolerance + stable_flags.append(bool(is_stable_flag)) + if is_stable_flag: + stable_proposed_structures.append(structure) + + for entry in self.newly_discovered_entries: + structure = extract_structure_from_entry(entry) + if structure is not None: + newly_discovered_structures.append(structure) + + # Validity metrics for proposed structures + validity_metrics = ValidityMetrics.calculate( + structures=proposed_structures, + ) + + # Diversity metrics (composition + structure) for proposed structures + composition_metrics_all = CompositionDiversityMetrics.calculate( + proposed_structures, + ) + structure_metrics_all = StructureDiversityMetrics.calculate( + proposed_structures, + ltol=self.structure_matcher_ltol, + stol=self.structure_matcher_stol, + angle_tol=self.structure_matcher_angle_tol, + ) + + composition_metrics_stable: dict[str, float] = {} + structure_metrics_stable: dict[str, float] = {} + if stable_proposed_structures: + composition_metrics_stable = CompositionDiversityMetrics.calculate( + stable_proposed_structures + ) + structure_metrics_stable = StructureDiversityMetrics.calculate( + stable_proposed_structures, + ltol=self.structure_matcher_ltol, + stol=self.structure_matcher_stol, + angle_tol=self.structure_matcher_angle_tol, + ) + + # Novelty/uniqueness metrics over ALL proposed structures vs initial references + novelty_metrics: dict[str, float] = {} + if proposed_structures and self.initial_structures: + novelty_metrics = NoveltyMetrics.calculate( + candidate_structures=proposed_structures, + reference_structures=self.initial_structures, + stable_flags=stable_flags, + ltol=self.structure_matcher_ltol, + stol=self.structure_matcher_stol, + angle_tol=self.structure_matcher_angle_tol, + ) + + # Reference metrics + reference_metrics = ReferenceMetrics.calculate( + structures=proposed_structures, + reference_structures=self.gt_structures_missing_initial, + ltol=self.structure_matcher_ltol, + stol=self.structure_matcher_stol, + angle_tol=self.structure_matcher_angle_tol, + ) + + # Convex-hull metrics + convex_hull_metrics = ConvexHullMetrics.calculate( + environment=self, + proposed_entries=self.proposed_entries, + ) + + metrics.update({f"reference_{k}": v for k, v in reference_metrics.items()}) + metrics.update({f"validity_{k}": v for k, v in validity_metrics.items()}) + metrics.update( + { + f"diversity_all_composition_{k}": v + for k, v in composition_metrics_all.items() + } + ) + metrics.update( + { + f"diversity_all_structure_{k}": v + for k, v in structure_metrics_all.items() + } + ) + metrics.update( + { + f"diversity_stable_composition_{k}": v + for k, v in composition_metrics_stable.items() + } + ) + metrics.update( + { + f"diversity_stable_structure_{k}": v + for k, v in structure_metrics_stable.items() + } + ) + metrics.update({f"novelty_{k}": v for k, v in novelty_metrics.items()}) + metrics.update({f"convex_hull_{k}": v for k, v in convex_hull_metrics.items()}) + + self.metrics_history.append(metrics) + + # Compute discovery curve metrics using the full history (including current step) + # This includes area under discovery curve, enhancement factor, and acceleration factor + # Note: baseline_metrics_history can be provided if baseline comparison is needed + # Use num_newly_discovered_stable as the metric key (y-axis) for discovery curve + discovery_curve_metrics = DiscoveryCurveMetrics.calculate( + metrics_history=self.metrics_history, + metric_key="num_newly_discovered_stable", + ) + # Add discovery curve metrics to both the current metrics dict and the history entry + metrics.update( + {f"discovery_curve_{k}": v for k, v in discovery_curve_metrics.items()} + ) + # Update the last entry in metrics_history to include discovery curve metrics + if self.metrics_history: + self.metrics_history[-1].update( + {f"discovery_curve_{k}": v for k, v in discovery_curve_metrics.items()} + ) + + return metrics + + def _safe_e_above_hull(self, phase_diagram: PhaseDiagram, entry: PDEntry) -> float: + """Return e_above_hull with robust handling for elemental duplicates. + + If a valid decomposition is not found (commonly when the proposal is an + elemental entry conflicting with the current elemental reference), warn + and fall back to a manual computation for elemental compositions. + + Additionally, if this situation occurs on the observed PD and the new + elemental entry has a lower energy-per-atom than the existing elemental + reference, replace the observed reference and rebuild the observed PD + before returning the e_above_hull. + """ + comp = entry.composition + # Special handling: if operating on observed PD and this is an elemental entry + # check if we need to update the PD before computing e_above_hull + if len(comp.elements) == 1 and phase_diagram is self.observed_pd: + elem = list(comp.elements)[0] + try: + ref_entry = phase_diagram.el_refs[elem] + entry_e_pa = entry.energy_per_atom + ref_e_pa = ref_entry.energy_per_atom + # If new elemental energy is lower, update the PD + if entry_e_pa < ref_e_pa - 1e-12: + # Remove any existing elemental entries for this element that have higher energy + new_entries: list[PDEntry] = [] + for e in self.observed_entries: + if ( + len(e.composition.elements) == 1 + and list(e.composition.elements)[0] == elem + ): + # keep only the better (lower) energy entry; prefer the new 'entry' + continue + new_entries.append(e) + # Keep the new elemental entry + new_entries.append(entry) + self.observed_entries = new_entries + # Rebuild observed PD + self.observed_pd = PhaseDiagram(self.observed_entries) + # Now use utility function on updated PD + return safe_e_above_hull(self.observed_pd, entry) + except Exception: + pass # If update check fails, continue with normal computation + + # Use utility function for safe computation + return safe_e_above_hull(phase_diagram, entry) + + def _compute_elemental_energies_with_oracle(self) -> None: + """Compute elemental reference energies using the oracle from dataset structures.""" + # Check if oracle already has elemental energies computed + # if hasattr(self.oracle, 'element_reference_energies') and self.oracle.element_reference_energies: + # print(f"Oracle already has elemental energies: {list(self.oracle.element_reference_energies.keys())}") + # return + + # Check if oracle has the method to compute from structures + if hasattr(self.oracle, "compute_elemental_energies_from_structures"): + logger.info( + "Computing elemental energies using oracle from dataset structures..." + ) + elemental_entries_with_structures = ( + self.dataset.get_elemental_entries_with_structures() + ) # type: ignore[attr-defined] + computed_energies = self.oracle.compute_elemental_energies_from_structures( + elemental_entries_with_structures + ) + logger.info(f"Computed elemental energies: {computed_energies}") + else: + logger.warning( + "Oracle does not support computing elemental energies from structures" + ) + + def _get_oracle_evaluated_elemental_entries(self) -> list[PDEntry]: + """Get all elemental entries from ground truth, re-evaluated with the oracle.""" + elemental_entries_with_structures = ( + self.dataset.get_elemental_entries_with_structures() + ) # type: ignore[attr-defined] + oracle_evaluated_entries = [] + for entry, structure in elemental_entries_with_structures: + # Apply SMACT filter if enabled + if ( + self.filter_by_smact + and structure is not None + and not is_smact_valid(structure) + ): + continue + + oracle_result = { + "energy_per_atom": self.oracle.get_element_reference_energy( + str(entry.composition.elements[0]) + ) + } + oracle_entry = structure_result_to_entry(structure, oracle_result) + oracle_evaluated_entries.append(oracle_entry) + return oracle_evaluated_entries + + def _get_oracle_evaluated_stable_entries(self) -> list[PDEntry]: + """Get all stable entries from filtered ground truth PD, re-evaluated with the oracle. + + Note: This uses the ground_truth_stable_structures which have already been + filtered by SMACT, max_stoichiometry, and stability tolerance. + """ + oracle_evaluated_entries = [] + + logger.info( + f"Re-evaluating {len(self.ground_truth_stable_structures)} filtered (near-)stable entries with oracle..." + ) + + # Use the already-filtered ground truth stable structures + for structure in self.ground_truth_stable_structures: + # skip oracle evaluation for elemental entries + composition = structure.composition + if len(composition.elements) == 1: + oracle_result = { + "energy_per_atom": self.oracle.get_element_reference_energy( + str(composition.elements[0]) + ) + } + else: + oracle_result = self.oracle.evaluate(structure) + + # Create new PDEntry with oracle energy + oracle_entry = structure_result_to_entry(structure, oracle_result) + oracle_evaluated_entries.append(oracle_entry) + + logger.info(f"Created {len(oracle_evaluated_entries)} oracle-evaluated entries") + return oracle_evaluated_entries + + def _get_initial_structures(self) -> list[Structure]: + """Get all structures from the initial observed phase diagram.""" + initial_structures = [] + for entry in self.observed_entries: + structure = extract_structure_from_entry(entry) + if structure is not None: + initial_structures.append(structure) + return initial_structures + + def _check_structural_novelty(self, pd_entry: PDEntry) -> bool: + """Check if the proposed structure is structurally novel compared to initial structures.""" + structure = extract_structure_from_entry(pd_entry) + # Check against all initial structures + for initial_structure in self.initial_structures: + try: + if self.structure_matcher.fit(structure, initial_structure): + return False # Not novel, matches an existing structure + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {structure.composition} and {initial_structure.composition}: {e}" + ) + # Treat as non-matching on error, continue checking + + # Check against previously discovered novel structures + for discovered_entry in self.newly_discovered_entries: + discovered_structure = extract_structure_from_entry(discovered_entry) + if discovered_structure is None: + continue + try: + if self.structure_matcher.fit(structure, discovered_structure): + return False # Not novel, matches a previously discovered structure + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {structure.composition} and {discovered_structure.composition}: {e}" + ) + # Treat as non-matching on error, continue checking + + # This is a novel structure! + self.newly_discovered_entries.append(pd_entry) + return True + + def get_newly_discovered_entries(self) -> list[PDEntry]: + """Get all PDEntries for newly discovered structures.""" + return list(self.newly_discovered_entries) diff --git a/made/evaluation/__init__.py b/made/evaluation/__init__.py new file mode 100644 index 0000000..6338232 --- /dev/null +++ b/made/evaluation/__init__.py @@ -0,0 +1,19 @@ +from .metrics import ( + CompositionDiversityMetrics, + ConvexHullMetrics, + DiscoveryCurveMetrics, + NoveltyMetrics, + ReferenceMetrics, + StructureDiversityMetrics, + ValidityMetrics, +) + +__all__ = [ + "ValidityMetrics", + "NoveltyMetrics", + "ConvexHullMetrics", + "CompositionDiversityMetrics", + "ReferenceMetrics", + "StructureDiversityMetrics", + "DiscoveryCurveMetrics", +] diff --git a/made/evaluation/metrics.py b/made/evaluation/metrics.py new file mode 100644 index 0000000..d102ffe --- /dev/null +++ b/made/evaluation/metrics.py @@ -0,0 +1,1575 @@ +"""Evaluation utilities for materials discovery. + +This module provides modular metric calculators inspired by Microsoft's +`mattergen` repository. Metrics are grouped into logical categories +(validity, diversity, novelty, stability, convex hull) and exposed via both +individual helper functions and a high-level `MaterialsMetrics` façade. + +Each calculator exposes a static `calculate` method that accepts the minimal +data required for the metric family, making it easy to reuse components in +custom workflows while still offering a batteries-included pipeline. +""" + +import itertools +import logging +from collections import Counter +from typing import Any + +import amd +import numpy as np +import smact +from amd.io import periodicset_from_pymatgen_structure +from pymatgen.analysis.structure_matcher import StructureMatcher +from pymatgen.core.composition import Composition +from pymatgen.core.periodic_table import Element +from pymatgen.core.structure import Structure +from pymatgen.symmetry.analyzer import SpacegroupAnalyzer +from scipy.spatial.distance import pdist as scipy_pdist +from smact.screening import pauling_test + +from made.utils.convex_hull_utils import safe_e_above_hull + +# ----------------------------------------------------------------------------- +# Validity metrics (chemical sanity checks) +# ----------------------------------------------------------------------------- + +logger = logging.getLogger(__name__) + + +# Ref: https://github.com/microsoft/mattergen/blob/main/mattergen/evaluation/metrics/structure.py +def is_smact_valid(structure_or_composition: Structure | Composition) -> bool: + """ + Returns True if the structure or composition is valid according to the + smact validity checker else False. + + Args: + structure_or_composition: pymatgen Structure or Composition object to check + + Returns: + True if the structure/composition is SMACT-valid, False otherwise + """ + # Extract atomic_numbers from either Structure or Composition + if isinstance(structure_or_composition, Structure): + atomic_numbers = structure_or_composition.atomic_numbers + elif isinstance(structure_or_composition, Composition): + # Use reduced composition to normalize stoichiometry + reduced_comp = structure_or_composition.reduced_composition + # Build atomic_numbers list from composition (mirroring structure.atomic_numbers) + atomic_numbers = [] + for element, amount in reduced_comp.items(): + element_z = Element(element).Z + atomic_numbers.extend([element_z] * int(round(amount))) + else: + raise TypeError( + f"Expected Structure or Composition, got {type(structure_or_composition)}" + ) + + # Common validation logic (same for both Structure and Composition) + elem_counter = Counter(atomic_numbers) + composition_list = [ + (elem, elem_counter[elem]) for elem in sorted(elem_counter.keys()) + ] + elems, counts = list(zip(*composition_list, strict=True)) + counts = np.array(counts) + counts = counts / np.gcd.reduce(counts) + comps: tuple[int, ...] = tuple(np.array(counts).astype("int")) + return smact_validity( + comp=elems, count=comps, use_pauling_test=True, include_alloys=True + ) + + +# Ref: https://github.com/microsoft/mattergen/blob/main/mattergen/evaluation/metrics/structure.py +def smact_validity( + comp: tuple[int, ...] | tuple[str, ...], + count: tuple[int, ...], + use_pauling_test: bool = True, + include_alloys: bool = True, + include_cutoff: bool = True, + use_element_symbol: bool = False, +) -> bool: + """Computes SMACT validity. + + Args: + comp: Tuple of atomic number or element names of elements in a crystal. + count: Tuple of counts of elements in a crystal. + use_pauling_test: Whether to use electronegativity test. That is, at least in one + combination of oxidation states, the more positive the oxidation state of a site, + the lower the electronegativity of the element for all pairs of sites. + include_alloys: if True, returns True without checking charge balance or electronegativity + if the crystal is an alloy (consisting only of metals) (default: True). + include_cutoff: assumes valid crystal if the combination of oxidation states is more + than 10^6 (default: True). + + Returns: + True if the crystal is valid, False otherwise. + """ + assert len(comp) == len(count) + if use_element_symbol: + elem_symbols = comp + else: + elem_symbols = tuple([str(Element.from_Z(Z=elem)) for elem in comp]) # type:ignore + space = smact.element_dictionary(elem_symbols) + smact_elems = [e[1] for e in space.items()] + electronegs = [e.pauling_eneg for e in smact_elems] + ox_combos = [e.oxidation_states for e in smact_elems] + if len(set(elem_symbols)) == 1: + return True + if include_alloys: + is_metal_list = [elem_s in smact.metals for elem_s in elem_symbols] + if all(is_metal_list): + return True + + threshold = np.max(count) + compositions = [] + n_comb = np.prod([len(ls) for ls in ox_combos]) + # If the number of possible combinations is big, it'd take too much time to run the smact checker + # In this case, we assume that at least one of the combinations is valid + if n_comb > 1e6 and include_cutoff: + return True + for ox_states in itertools.product(*ox_combos): + stoichs = [(c,) for c in count] + # Test for charge balance + cn_e, cn_r = smact.neutral_ratios( + ox_states, stoichs=stoichs, threshold=threshold + ) + # Electronegativity test + if cn_e: + if use_pauling_test: + try: + electroneg_0k = pauling_test(ox_states, electronegs) + except TypeError: + # if no electronegativity data, assume it is okay + electroneg_0k = True + else: + electroneg_0k = True + if electroneg_0k: + for ratio in cn_r: + compositions.append((elem_symbols, ox_states, ratio)) + compositions = [(i[0], i[2]) for i in compositions] + compositions = list(set(compositions)) + return len(compositions) > 0 + + +def is_min_distance_valid( + structure: Structure, + min_distance_threshold: float = 0.5, + return_distance: bool = False, +) -> bool | tuple[bool, float]: + """ + Returns True if the minimum interatomic distance in the structure is greater than the threshold. + """ + distance = get_min_interatomic_distance(structure) + if return_distance: + return distance >= min_distance_threshold, distance + else: + return distance >= min_distance_threshold + + +# Ref: https://github.com/microsoft/mattergen/blob/main/mattergen/evaluation/metrics/structure.py +def get_min_interatomic_distance(structure: Structure) -> float: + """ + Calculate the minimum interatomic distance in a structure. + + Args: + structure: The crystal structure to analyze. + + Returns: + The minimum distance between any pair of atoms in Angstroms. + """ + all_distances = structure.distance_matrix + # Set diagonal elements (self-distances) to infinity + np.fill_diagonal(all_distances, np.inf) + return float(np.min(all_distances)) + + +class ValidityMetrics: + """Distance and SMACT-based validity checks.""" + + @classmethod + def distance_validity( + cls, + structures: list[Structure], + *, + min_distance_threshold: float = 0.5, + ) -> dict[str, float]: + """ + Compute distance-based validity metrics. + + Args: + structures: List of crystal structures to analyze. + min_distance_threshold: Minimum interatomic distance threshold in Angstroms. + + Returns: + Dictionary with distance validity counts, fractions, and statistics. + """ + if not structures: + return { + "distance_valid_count": 0, + "distance_valid_fraction": 0.0, + "min_interatomic_distance_min": 0.0, + "min_interatomic_distance_mean": 0.0, + "min_interatomic_distance_std": 0.0, + } + + output = [ + is_min_distance_valid( + structure, min_distance_threshold, return_distance=True + ) + for structure in structures + ] + distance_valid_flags = np.array([flag for flag, _ in output]) + distances = np.array([distance for _, distance in output]) + + return { + "distance_valid_count": float(np.sum(distance_valid_flags)), + "distance_valid_fraction": float(np.mean(distance_valid_flags)), + "min_interatomic_distance_min": float(np.min(distances)), + "min_interatomic_distance_mean": float(np.mean(distances)), + "min_interatomic_distance_std": float(np.std(distances)), + } + + @classmethod + def smact_validity(cls, structures: list[Structure]) -> dict[str, float]: + """ + Compute SMACT-based validity metrics. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with SMACT validity counts and fractions. + """ + if not structures: + return { + "smact_valid_count": 0.0, + "smact_valid_fraction": 0.0, + } + + smact_flags = [is_smact_valid(structure) for structure in structures] + total = len(structures) + + return { + "smact_valid_count": float(np.sum(smact_flags)), + "smact_valid_fraction": float(np.sum(smact_flags)) / total, + } + + @classmethod + def calculate( + cls, + structures: list[Structure] | None, + *, + min_distance_threshold: float = 0.5, + ) -> dict[str, float]: + """ + Calculate all validity metrics including distance and SMACT checks. + + Args: + structures: List of crystal structures to analyze. + min_distance_threshold: Minimum interatomic distance threshold in Angstroms. + + Returns: + Dictionary containing all validity metrics. + """ + if structures is None: + structures = [] + + total = len(structures) + if total == 0: + return { + "distance_valid_count": 0, + "distance_valid_fraction": 0.0, + "min_interatomic_distance_min": 0.0, + "min_interatomic_distance_mean": 0.0, + "min_interatomic_distance_std": 0.0, + "smact_valid_count": 0.0, + "smact_valid_fraction": 0.0, + "distance_and_smact_valid_count": 0.0, + "distance_and_smact_valid_fraction": 0.0, + } + + distance_metrics = cls.distance_validity( + structures, min_distance_threshold=min_distance_threshold + ) + smact_metrics = cls.smact_validity(structures) + + # Combine distance and SMACT validity + distance_valid_flags = np.array( + [is_min_distance_valid(s, min_distance_threshold) for s in structures] + ) + smact_flags = np.array([is_smact_valid(s) for s in structures]) + combined_valid = distance_valid_flags & smact_flags + + results = {**distance_metrics, **smact_metrics} + results.update( + { + "distance_and_smact_valid_count": float(np.sum(combined_valid)), + "distance_and_smact_valid_fraction": float(np.sum(combined_valid)) + / total, + } + ) + + return results + + +class CompositionDiversityMetrics: + """Metrics for compositional diversity in a set of structures.""" + + @staticmethod + def _build_composition_matrix( + compositions: list[Composition], + ) -> tuple[np.ndarray, dict[str, int]]: + """ + Build a composition matrix where each row is a composition vector. + + Args: + compositions: List of Composition objects. + + Returns: + Tuple of (composition_matrix, element_index_map). + """ + all_elements = sorted( + {el.symbol for comp in compositions for el in comp.elements} + ) + + if not all_elements: + return np.zeros((len(compositions), 0), dtype=float), {} + + comp_matrix = np.zeros((len(compositions), len(all_elements)), dtype=float) + elem_index = {elem: i for i, elem in enumerate(all_elements)} + + for row_idx, comp in enumerate(compositions): + for el, amt in comp.get_el_amt_dict().items(): + comp_matrix[row_idx, elem_index[el]] = float(amt) + + return comp_matrix, elem_index + + @classmethod + def unique_compositions(cls, structures: list[Structure]) -> dict[str, float]: + """ + Compute unique composition metrics. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with unique composition counts and fractions. + """ + if not structures: + return { + "unique_composition_count": 0.0, + "unique_composition_fraction": 0.0, + } + + compositions = [ + struct.composition.fractional_composition for struct in structures + ] + unique_compositions = {comp.reduced_formula for comp in compositions} + stoich_diversity = len(unique_compositions) / len(structures) + + return { + "unique_composition_count": float(len(unique_compositions)), + "unique_composition_fraction": float(stoich_diversity), + } + + @classmethod + def _pairwise_distance_metrics( + cls, + structures: list[Structure], + metric: str, + prefix: str, + ) -> dict[str, float]: + """ + Compute pairwise distance metrics between compositions. + + Args: + structures: List of crystal structures to analyze. + metric: Distance metric to use (e.g., "cityblock", "euclidean"). + prefix: Prefix for the metric keys (e.g., "l1_distance", "l2_distance"). + + Returns: + Dictionary with distance statistics (min, mean, max, std). + """ + if not structures: + return { + f"{prefix}_min": 0.0, + f"{prefix}_mean": 0.0, + f"{prefix}_max": 0.0, + f"{prefix}_std": 0.0, + } + + compositions = [ + struct.composition.fractional_composition for struct in structures + ] + comp_matrix, _ = cls._build_composition_matrix(compositions) + + if len(compositions) < 2 or comp_matrix.shape[1] == 0: + return { + f"{prefix}_min": 0.0, + f"{prefix}_mean": 0.0, + f"{prefix}_max": 0.0, + f"{prefix}_std": 0.0, + } + + dists_array = scipy_pdist(comp_matrix, metric=metric) + if dists_array.size == 0: + return { + f"{prefix}_min": 0.0, + f"{prefix}_mean": 0.0, + f"{prefix}_max": 0.0, + f"{prefix}_std": 0.0, + } + + return { + f"{prefix}_min": float(np.min(dists_array)), + f"{prefix}_mean": float(np.mean(dists_array)), + f"{prefix}_max": float(np.max(dists_array)), + f"{prefix}_std": float(np.std(dists_array)), + } + + @classmethod + def l1_distances(cls, structures: list[Structure]) -> dict[str, float]: + """ + Compute L1 (Manhattan) distance metrics between compositions. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with L1 distance statistics (min, mean, max, std). + """ + return cls._pairwise_distance_metrics(structures, "cityblock", "l1_distance") + + @classmethod + def l2_distances(cls, structures: list[Structure]) -> dict[str, float]: + """ + Compute L2 (Euclidean) distance metrics between compositions. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with L2 distance statistics (min, mean, max, std). + """ + return cls._pairwise_distance_metrics(structures, "euclidean", "l2_distance") + + @classmethod + def calculate(cls, structures: list[Structure]) -> dict[str, float]: + """ + Calculate all composition diversity metrics. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary containing all composition diversity metrics. + """ + unique_metrics = cls.unique_compositions(structures) + l1_metrics = cls.l1_distances(structures) + l2_metrics = cls.l2_distances(structures) + + return {**unique_metrics, **l1_metrics, **l2_metrics} + + +class StructureDiversityMetrics: + """Metrics for structural diversity in a set of structures.""" + + @classmethod + def unique_structures( + cls, + structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> dict[str, float]: + """ + Compute unique structure metrics using structure matching. + + Args: + structures: List of crystal structures to analyze. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Dictionary with unique structure counts and fractions. + """ + if not structures: + return { + "unique_structure_count": 0.0, + "unique_structure_fraction": 0.0, + } + + matcher = StructureMatcher(ltol=ltol, stol=stol, angle_tol=angle_tol) + unique_structures = [] + for struct in structures: + is_unique = True + for unique in unique_structures: + try: + if matcher.fit(struct, unique): + is_unique = False + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {struct.composition} and {unique.composition}: {e}" + ) + # Treat as non-matching on error, continue checking + if is_unique: + unique_structures.append(struct) + + return { + "unique_structure_count": float(len(unique_structures)), + "unique_structure_fraction": float( + len(unique_structures) / len(structures) + ), + } + + @classmethod + def spacegroup_diversity(cls, structures: list[Structure]) -> dict[str, float]: + """ + Compute spacegroup diversity metrics. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with spacegroup entropy, counts, and fractions. + """ + if not structures: + return { + "spacegroup_entropy": 0.0, + "unique_spacegroups_count": 0.0, + "unique_spacegroups_fraction": 0.0, + } + + spacegroups = [] + for struct in structures: + try: + sg_num = SpacegroupAnalyzer(struct).get_space_group_number() + spacegroups.append(sg_num) + except Exception: + # Skip structures where spacegroup analysis fails + # (e.g., invalid structures, symmetry issues) + logger.warning(f"Failed to analyze spacegroup for {struct}") + continue + + # If all structures failed spacegroup analysis, return default values + if not spacegroups: + return { + "spacegroup_entropy": 0.0, + "unique_spacegroups_count": 0.0, + "unique_spacegroups_fraction": 0.0, + } + + spacegroup_counts = {} + for sg in spacegroups: + spacegroup_counts[sg] = spacegroup_counts.get(sg, 0) + 1 + + # Calculate entropy of spacegroup distribution + sg_probabilities = ( + np.array([count / len(spacegroups) for count in spacegroup_counts.values()]) + if spacegroups + else np.array([]) + ) + spacegroup_entropy = ( + -np.sum(sg_probabilities * np.log(sg_probabilities)) + if len(sg_probabilities) > 0 + else 0.0 + ) + + return { + "spacegroup_entropy": float(spacegroup_entropy), + "unique_spacegroups_count": float(len(set(spacegroups))), + "unique_spacegroups_fraction": float( + len(set(spacegroups)) / len(spacegroups) + ) + if spacegroups + else 0.0, + } + + @classmethod + def lattice_parameter_variance( + cls, structures: list[Structure] + ) -> dict[str, float]: + """ + Compute lattice parameter variance metrics. + + Args: + structures: List of crystal structures to analyze. + + Returns: + Dictionary with lattice parameter variance. + """ + if not structures: + return {"lattice_parameter_variance": 0.0} + + lattice_params = np.array([list(struct.lattice.abc) for struct in structures]) + lattice_param_variance = ( + float(np.mean(np.var(lattice_params, axis=0))) + if len(lattice_params) > 0 + else 0.0 + ) + + return {"lattice_parameter_variance": float(lattice_param_variance)} + + @classmethod + def amd_distances( + cls, structures: list[Structure], k: int = 100 + ) -> dict[str, float]: + """ + Compute AMD (Average Minimum Distance) metrics. + + Args: + structures: List of crystal structures to analyze. + k: Number of nearest neighbors for AMD calculation. + + Returns: + Dictionary with AMD distance statistics (min, mean, max). + """ + if not structures or len(structures) < 2: + return { + "amd_distance_min": 0.0, + "amd_distance_mean": 0.0, + "amd_distance_max": 0.0, + } + + crystals = [ + periodicset_from_pymatgen_structure(struct) for struct in structures + ] + amds = [amd.AMD(cr, k) for cr in crystals] + cdm = amd.AMD_pdist(amds) + + if hasattr(cdm, "__len__") and len(cdm) > 0: + return { + "amd_distance_min": float(np.min(cdm)), + "amd_distance_mean": float(np.mean(cdm)), + "amd_distance_max": float(np.max(cdm)), + } + else: + return { + "amd_distance_min": 0.0, + "amd_distance_mean": 0.0, + "amd_distance_max": 0.0, + } + + @classmethod + def calculate( + cls, + structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> dict[str, float]: + """ + Calculate all structural diversity metrics. + + Args: + structures: List of crystal structures to analyze. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Dictionary containing all structural diversity metrics. + """ + unique_metrics = cls.unique_structures(structures, ltol, stol, angle_tol) + spacegroup_metrics = cls.spacegroup_diversity(structures) + lattice_metrics = cls.lattice_parameter_variance(structures) + amd_metrics = cls.amd_distances(structures) + + return { + **unique_metrics, + **spacegroup_metrics, + **lattice_metrics, + **amd_metrics, + } + + +class NoveltyMetrics: + """Metrics for novelty/uniqueness and stability filtered counts/fractions.""" + + @classmethod + def uniqueness( + cls, + candidate_structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> tuple[np.ndarray, dict[str, float]]: + """ + Compute uniqueness among candidate structures. + + Args: + candidate_structures: List of candidate structures to analyze. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Tuple of (is_unique_array, metrics_dict) where is_unique is a boolean array. + """ + total = len(candidate_structures) + if total == 0: + return np.array([], dtype=bool), { + "unique_structure_count": 0.0, + "unique_structure_fraction": 0.0, + } + + matcher = StructureMatcher(ltol=ltol, stol=stol, angle_tol=angle_tol) + unique_indices: list[int] = [] + for i, s in enumerate(candidate_structures): + is_unique = True + for j in unique_indices: + try: + if matcher.fit(s, candidate_structures[j]): + is_unique = False + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {s.composition} and {candidate_structures[j].composition}: {e}" + ) + # Treat as non-matching on error, continue checking + if is_unique: + unique_indices.append(i) + + is_unique = np.zeros(total, dtype=bool) + is_unique[unique_indices] = True + + return is_unique, { + "unique_structure_count": float(is_unique.sum()), + "unique_structure_fraction": float(is_unique.sum() / total), + } + + @classmethod + def novelty( + cls, + candidate_structures: list[Structure], + reference_structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> tuple[np.ndarray, dict[str, float]]: + """ + Compute novelty vs reference structures. + + Args: + candidate_structures: List of candidate structures to analyze. + reference_structures: List of reference structures to compare against. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Tuple of (is_novel_array, metrics_dict) where is_novel is a boolean array. + """ + total = len(candidate_structures) + if total == 0: + return np.array([], dtype=bool), { + "novel_structure_count": 0.0, + "novel_structure_fraction": 0.0, + } + + matcher = StructureMatcher(ltol=ltol, stol=stol, angle_tol=angle_tol) + novel_flags: list[bool] = [] + for s in candidate_structures: + is_novel = True + for ref in reference_structures: + try: + if matcher.fit(s, ref): + is_novel = False + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {s.composition} and {ref.composition}: {e}" + ) + # Treat as non-matching on error, continue checking + novel_flags.append(is_novel) + + is_novel = np.array(novel_flags, dtype=bool) + + return is_novel, { + "novel_structure_count": float(is_novel.sum()), + "novel_structure_fraction": float(is_novel.sum() / total), + } + + @classmethod + def calculate( + cls, + candidate_structures: list[Structure], + reference_structures: list[Structure], + stable_flags: list[bool] | None = None, + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> dict[str, float]: + """ + Compute counts and fractions for stable/unique/novel proposals. + + - unique: distinct among all proposed structures (by StructureMatcher) + - novel: does not match any reference structure (e.g., initial structures) + - stable: provided via stable_flags for each candidate + """ + total = len(candidate_structures) + if total == 0: + return { + "novel_structure_count": 0.0, + "novel_structure_fraction": 0.0, + "unique_structure_count": 0.0, + "unique_structure_fraction": 0.0, + "stable_count": 0.0, + "stable_unique_count": 0.0, + "stable_novel_count": 0.0, + "stable_unique_novel_count": 0.0, + "stable_fraction": 0.0, + "stable_unique_fraction": 0.0, + "stable_novel_fraction": 0.0, + "stable_unique_novel_fraction": 0.0, + } + + is_unique, unique_metrics = cls.uniqueness( + candidate_structures, ltol, stol, angle_tol + ) + is_novel, novel_metrics = cls.novelty( + candidate_structures, reference_structures, ltol, stol, angle_tol + ) + is_stable = ( + np.array(stable_flags, dtype=bool) + if stable_flags is not None + else np.zeros(total, dtype=bool) + ) + + stable_count = int(is_stable.sum()) + stable_unique = int((is_stable & is_unique).sum()) + stable_novel = int((is_stable & is_novel).sum()) + stable_unique_novel = int((is_stable & is_unique & is_novel).sum()) + + results = {**unique_metrics, **novel_metrics} + results.update( + { + "stable_count": float(stable_count), + "stable_unique_count": float(stable_unique), + "stable_novel_count": float(stable_novel), + "stable_unique_novel_count": float(stable_unique_novel), + "stable_fraction": float(stable_count / total), + "stable_unique_fraction": float(stable_unique / total), + "stable_novel_fraction": float(stable_novel / total), + "stable_unique_novel_fraction": float(stable_unique_novel / total), + } + ) + + return results + + +class ReferenceMetrics: + """Metrics for comparing compositions and structures with reference compositions and structures.""" + + @classmethod + def composition_metrics( + cls, + structures: list[Structure], + reference_structures: list[Structure], + ) -> dict[str, float]: + """ + Compute composition-based precision and recall metrics. + + Args: + structures: List of structures to evaluate. + reference_structures: List of reference structures. + + Returns: + Dictionary with composition precision and recall. + """ + if not structures or not reference_structures: + return { + "composition_precision": 0.0, + "composition_recall": 0.0, + } + + compositions = [struct.composition.reduced_formula for struct in structures] + reference_compositions = [ + struct.composition.reduced_formula for struct in reference_structures + ] + reference_unique = set(reference_compositions) + overlap = set(compositions).intersection(reference_unique) + + return { + "composition_precision": float(len(overlap) / len(compositions)), + "composition_recall": float(len(overlap) / len(reference_unique)), + } + + @classmethod + def structure_metrics( + cls, + structures: list[Structure], + reference_structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> dict[str, float]: + """ + Compute structure-based precision and recall metrics. + + Args: + structures: List of structures to evaluate. + reference_structures: List of reference structures. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Dictionary with structure precision and recall. + """ + if not structures or not reference_structures: + return { + "structure_precision": 0.0, + "structure_recall": 0.0, + } + + matcher = StructureMatcher(ltol=ltol, stol=stol, angle_tol=angle_tol) + matched_structures_indices = set() + for i, struct in enumerate(structures): + matches = False + for ref in reference_structures: + try: + if matcher.fit(struct, ref): + matches = True + break + except Exception as e: + logger.warning( + f"StructureMatcher.fit() failed for structures {struct.composition} and {ref.composition}: {e}" + ) + # Treat as non-matching on error, continue checking + if matches: + matched_structures_indices.add(i) + + return { + "structure_precision": float( + len(matched_structures_indices) / len(structures) + ), + "structure_recall": float( + len(matched_structures_indices) / len(reference_structures) + ), + } + + @classmethod + def calculate( + cls, + structures: list[Structure], + reference_structures: list[Structure], + ltol: float = 0.2, + stol: float = 0.3, + angle_tol: float = 5.0, + ) -> dict[str, float]: + """ + Calculate all reference comparison metrics. + + Args: + structures: List of structures to evaluate. + reference_structures: List of reference structures. + ltol: Fractional length tolerance for structure matching. + stol: Site tolerance for structure matching. + angle_tol: Angle tolerance for structure matching in degrees. + + Returns: + Dictionary containing all reference metrics. + """ + comp_metrics = cls.composition_metrics(structures, reference_structures) + struct_metrics = cls.structure_metrics( + structures, reference_structures, ltol, stol, angle_tol + ) + + return {**comp_metrics, **struct_metrics} + + +class ConvexHullMetrics: + """Metrics for assessing the convex hull properties of proposed materials.""" + + @classmethod + def energy_above_hull( + cls, + environment, # ConvexHullEnvironment instance + proposed_entries, # List of PDEntries + ) -> dict[str, float]: + """ + Compute energy above hull metrics. + + Args: + environment: A ConvexHullEnvironment instance. + proposed_entries: List of PDEntries to evaluate. + + Returns: + Dictionary with energy above hull statistics. + """ + if not proposed_entries: + return { + "e_above_hull_min": 0.0, + "e_above_hull_mean": 0.0, + "e_above_hull_max": 0.0, + "e_above_hull_std": 0.0, + } + + hull_distances = [ + safe_e_above_hull(environment.observed_pd, entry) + for entry in proposed_entries + ] + hull_distances_array = np.array(hull_distances, dtype=float) + + return { + "e_above_hull_min": float(np.min(hull_distances_array)), + "e_above_hull_mean": float(np.mean(hull_distances_array)), + "e_above_hull_max": float(np.max(hull_distances_array)), + "e_above_hull_std": float(np.std(hull_distances_array)), + } + + @classmethod + def energy_per_atom(cls, proposed_entries) -> dict[str, float]: + """ + Compute energy per atom metrics. + + Args: + proposed_entries: List of PDEntries to evaluate. + + Returns: + Dictionary with energy per atom statistics. + """ + if not proposed_entries: + return { + "energy_per_atom_min": 0.0, + "energy_per_atom_max": 0.0, + "energy_per_atom_mean": 0.0, + "energy_per_atom_std": 0.0, + } + + energies_array = np.array( + [entry.energy_per_atom for entry in proposed_entries], dtype=float + ) + + return { + "energy_per_atom_min": float(np.min(energies_array)), + "energy_per_atom_max": float(np.max(energies_array)), + "energy_per_atom_mean": float(np.mean(energies_array)), + "energy_per_atom_std": float(np.std(energies_array)), + } + + @classmethod + def formation_energy_per_atom( + cls, + environment, # ConvexHullEnvironment instance + proposed_entries, # List of PDEntries + ) -> dict[str, float]: + """ + Compute formation energy per atom metrics. + + Args: + environment: A ConvexHullEnvironment instance. + proposed_entries: List of PDEntries to evaluate. + + Returns: + Dictionary with formation energy per atom statistics. + """ + if not proposed_entries: + return { + "formation_energy_per_atom_min": 0.0, + "formation_energy_per_atom_max": 0.0, + "formation_energy_per_atom_mean": 0.0, + "formation_energy_per_atom_std": 0.0, + } + + formation_energies_array = np.array( + [ + environment.observed_pd.get_form_energy_per_atom(entry) + for entry in proposed_entries + ], + dtype=float, + ) + + return { + "formation_energy_per_atom_min": float(np.min(formation_energies_array)), + "formation_energy_per_atom_max": float(np.max(formation_energies_array)), + "formation_energy_per_atom_mean": float(np.mean(formation_energies_array)), + "formation_energy_per_atom_std": float(np.std(formation_energies_array)), + } + + @classmethod + def stability_metrics( + cls, + environment, # ConvexHullEnvironment instance + proposed_entries, # List of PDEntries + ) -> dict[str, float]: + """ + Compute stability metrics based on energy above hull. + + Args: + environment: A ConvexHullEnvironment instance. + proposed_entries: List of PDEntries to evaluate. + + Returns: + Dictionary with stability counts and fractions. + """ + if not proposed_entries: + return { + "stable_fraction": 0.0, + "stable_count": 0.0, + } + + stable_count = sum( + 1 + for entry in proposed_entries + if safe_e_above_hull(environment.observed_pd, entry) + <= environment.stability_tolerance + ) + entries_count = len(proposed_entries) + + return { + "stable_fraction": float(stable_count / entries_count), + "stable_count": float(stable_count), + } + + @classmethod + def calculate( + cls, + environment, # ConvexHullEnvironment instance + proposed_entries=None, # List of PDEntries to evaluate, or None to use env.proposed_entries + ) -> dict[str, float]: + """ + Calculate all convex hull metrics. + + Args: + environment: A ConvexHullEnvironment instance. + proposed_entries: Optional list of PDEntries to evaluate. If None, + uses env.proposed_entries. + + Returns: + Dictionary containing all convex hull metrics. + """ + if proposed_entries is None: + proposed_entries = environment.proposed_entries + + if not proposed_entries: + return { + "e_above_hull_min": 0.0, + "e_above_hull_mean": 0.0, + "e_above_hull_max": 0.0, + "e_above_hull_std": 0.0, + "energy_per_atom_min": 0.0, + "energy_per_atom_max": 0.0, + "energy_per_atom_mean": 0.0, + "energy_per_atom_std": 0.0, + "formation_energy_per_atom_min": 0.0, + "formation_energy_per_atom_max": 0.0, + "formation_energy_per_atom_mean": 0.0, + "formation_energy_per_atom_std": 0.0, + "stable_fraction": 0.0, + "stable_count": 0.0, + } + + hull_metrics = cls.energy_above_hull(environment, proposed_entries) + energy_metrics = cls.energy_per_atom(proposed_entries) + formation_metrics = cls.formation_energy_per_atom(environment, proposed_entries) + stability_metrics = cls.stability_metrics(environment, proposed_entries) + + return { + **hull_metrics, + **energy_metrics, + **formation_metrics, + **stability_metrics, + } + + +class DiscoveryCurveMetrics: + """Metrics for evaluating discovery performance over time.""" + + @staticmethod + def compute_area_under_curve( + discoveries: np.ndarray, + queries: np.ndarray | None = None, + normalize: bool = False, + ) -> float: + """ + Compute the area under the discovery curve from arrays. + + Args: + discoveries: Array of cumulative discoveries at each step. + queries: Optional array of query counts. If None, assumes discoveries represents + step-by-step discoveries and queries will be [0, 1, 2, ..., len(discoveries)-1]. + normalize: If True, normalize by queries^2 / 2, which is the maximum area for + 1 discovery per query (linear growth). This gives a value representing + efficiency relative to the ideal 1 discovery/query rate. + + Returns: + Area under the discovery curve using trapezoidal integration. + If normalize=True, returns normalized value. + """ + discoveries = np.array(discoveries, dtype=float) + + if queries is None: + # Assume discoveries represents step-by-step discoveries + queries = np.arange(len(discoveries), dtype=float) + else: + queries = np.array(queries, dtype=float) + + if len(queries) == 0 or len(discoveries) == 0: + return 0.0 + + audc = float(np.trapezoid(discoveries, queries)) + + if normalize: + # Normalize by queries^2 / 2, which is the maximum area under curve for + # 1 discovery per query (linear growth from 0 to queries[-1] discoveries) + max_area = (queries[-1] ** 2) / 2.0 + if max_area > 0: + return audc / max_area + else: + return 0.0 + + return audc + + @staticmethod + def _extract_discovery_curve( + metrics_history: list[dict[str, Any]], + metric_key: str = "num_newly_discovered_structures", + query_key: str = "queries_used", + ) -> tuple[np.ndarray, np.ndarray]: + """ + Extract queries and cumulative discoveries from metrics history. + + Args: + metrics_history: List of metric dictionaries from each step of an episode. + Each dictionary should contain at least the specified metric_key and query_key. + Queries should be in order (not sorted). + metric_key: Key to extract discoveries from metrics dictionary + (default: 'num_newly_discovered_structures'). + query_key: Key to extract query counts from metrics dictionary + (default: 'queries_used'). + + Returns: + Tuple of (queries_unique, discoveries_unique) arrays, with duplicates removed + and starting from query 0 with 0 discoveries. + """ + if not metrics_history: + return np.array([0.0]), np.array([0.0]) + + queries = [] + cumulative_discoveries = [] + + for metrics in metrics_history: + query_count = metrics.get(query_key, 0) + num_discovered = metrics.get(metric_key, 0) + queries.append(query_count) + cumulative_discoveries.append(num_discovered) + + if not queries: + return np.array([0.0]), np.array([0.0]) + + queries = np.array(queries, dtype=float) + cumulative_discoveries = np.array(cumulative_discoveries, dtype=float) + + # Remove duplicates (queries are assumed to be in order) + unique_indices = np.concatenate(([True], np.diff(queries) > 0)) + queries_unique = queries[unique_indices] + discoveries_unique = cumulative_discoveries[unique_indices] + + # Ensure we start from query 0 with 0 discoveries + if queries_unique[0] > 0: + queries_unique = np.concatenate([[0.0], queries_unique]) + discoveries_unique = np.concatenate([[0.0], discoveries_unique]) + + return queries_unique, discoveries_unique + + @classmethod + def area_under_discovery_curve( + cls, + metrics_history: list[dict[str, Any]] | None = None, + metric_key: str = "num_newly_discovered_structures", + query_key: str = "queries_used", + normalize: bool = False, + discoveries: np.ndarray | None = None, + queries: np.ndarray | None = None, + ) -> float: + """ + Compute the area under the discovery curve (discoveries vs queries). + + Can be called with either: + 1. metrics_history (from episode) - extracts queries and discoveries from dicts + 2. discoveries array (and optional queries array) - computes directly from arrays + + Args: + metrics_history: Optional list of metric dictionaries from each step of an episode. + If provided, extracts queries and discoveries from these dicts. + metric_key: Key to extract discoveries from metrics dictionary + (default: 'num_newly_discovered_structures'). + query_key: Key to extract query counts from metrics dictionary + (default: 'queries_used'). + normalize: If True, normalize by queries^2 / 2, which is the maximum area for + 1 discovery per query (linear growth). This gives a value representing + efficiency relative to the ideal 1 discovery/query rate. + discoveries: Optional array of cumulative discoveries. If provided, uses this directly + instead of extracting from metrics_history. + queries: Optional array of query counts. If provided with discoveries, uses these + directly. If None and discoveries provided, assumes step-by-step (0, 1, 2, ...). + + Returns: + Area under the discovery curve using trapezoidal integration. + If normalize=True, returns normalized value between 0 and 1. + """ + if discoveries is not None: + # Direct array computation + return cls.compute_area_under_curve(discoveries, queries, normalize) + elif metrics_history is not None: + # Extract from metrics history + queries_array, discoveries_array = cls._extract_discovery_curve( + metrics_history, metric_key, query_key + ) + return cls.compute_area_under_curve( + discoveries_array, queries_array, normalize + ) + else: + raise ValueError("Must provide either metrics_history or discoveries array") + + @classmethod + def enhancement_factor( + cls, + proposal_metrics_history: list[dict[str, Any]], + baseline_metrics_history: list[dict[str, Any]], + cap: float = 100.0, + return_array: bool = False, + metric_key: str = "num_newly_discovered_structures", + query_key: str = "queries_used", + ) -> float | np.ndarray: + """ + Compute enhancement factor: ratio of proposal discoveries to baseline discoveries. + + Args: + proposal_metrics_history: List of metric dictionaries for the proposal method. + baseline_metrics_history: List of metric dictionaries for the baseline method. + cap: Maximum value for the enhancement factor (default: 10.0). + return_array: If True, returns array of enhancement factors at each query point. + If False, returns only the final enhancement factor. + metric_key: Key to extract discoveries from metrics dictionary + (default: 'num_newly_discovered_structures'). + query_key: Key to extract query counts from metrics dictionary + (default: 'queries_used'). + + Returns: + If return_array=False: Single enhancement factor at final query. + If return_array=True: Array of enhancement factors at each query point. + """ + proposal_queries, proposal_discoveries = cls._extract_discovery_curve( + proposal_metrics_history, metric_key, query_key + ) + baseline_queries, baseline_discoveries = cls._extract_discovery_curve( + baseline_metrics_history, metric_key, query_key + ) + + if len(proposal_queries) == 0 or len(baseline_queries) == 0: + if return_array: + return np.array([]) + return 0.0 + + if return_array: + # Compute enhancement factor at each query point + # Interpolate baseline discoveries to match proposal query points + baseline_at_proposal_queries = np.interp( + proposal_queries, + baseline_queries, + baseline_discoveries, + left=0.0, + right=baseline_discoveries[-1] + if len(baseline_discoveries) > 0 + else 0.0, + ) + # Match notebook pattern: use safe baseline and cap result + baseline_safe = np.maximum(baseline_at_proposal_queries, 1e-8) + enhancement_factors = np.minimum(proposal_discoveries / baseline_safe, cap) + return enhancement_factors.astype(float) + else: + # Return only final enhancement factor (backward compatibility) + final_query = proposal_queries[-1] + final_proposal_discoveries = proposal_discoveries[-1] + + baseline_at_final_query = np.interp( + final_query, + baseline_queries, + baseline_discoveries, + left=0.0, + right=baseline_discoveries[-1] + if len(baseline_discoveries) > 0 + else 0.0, + ) + + baseline_safe = max(baseline_at_final_query, 1e-8) + return float(min(final_proposal_discoveries / baseline_safe, cap)) + + @classmethod + def acceleration_factor( + cls, + proposal_metrics_history: list[dict[str, Any]], + baseline_metrics_history: list[dict[str, Any]], + performance_bins: np.ndarray | list[float] | None = None, + percentage: bool = False, + target_discoveries: int | None = None, + metric_key: str = "num_newly_discovered_structures", + query_key: str = "queries_used", + ) -> float | np.ndarray: + """ + Compute acceleration factor: ratio of baseline queries to proposal queries needed + to reach target performance levels. + + Args: + proposal_metrics_history: List of metric dictionaries for the proposal method. + baseline_metrics_history: List of metric dictionaries for the baseline method. + performance_bins: Array of performance levels to evaluate. If None and target_discoveries + is None, uses final baseline discoveries as single target. + percentage: If True, performance_bins are interpreted as percentages (0.0-1.0) of max + baseline performance. If False, they are interpreted as absolute discovery counts. + target_discoveries: Deprecated. Use performance_bins instead. If provided and + performance_bins is None, uses this as a single target. + metric_key: Key to extract discoveries from metrics dictionary + (default: 'num_newly_discovered_structures'). + query_key: Key to extract query counts from metrics dictionary + (default: 'queries_used'). + + Returns: + If performance_bins is None and target_discoveries is provided: Single acceleration factor. + If performance_bins is provided: Array of acceleration factors for each performance bin. + """ + proposal_queries, proposal_discoveries = cls._extract_discovery_curve( + proposal_metrics_history, metric_key, query_key + ) + baseline_queries, baseline_discoveries = cls._extract_discovery_curve( + baseline_metrics_history, metric_key, query_key + ) + + if len(proposal_queries) == 0 or len(baseline_queries) == 0: + if performance_bins is not None: + return np.array([0.0] * len(performance_bins)) + return 0.0 + + # Handle backward compatibility: if target_discoveries provided and no performance_bins + if performance_bins is None and target_discoveries is not None: + performance_bins = [target_discoveries] + percentage = False + + # Determine performance levels to evaluate + if performance_bins is None: + # Default: use final baseline discoveries as single target + performance_levels = np.array([baseline_discoveries[-1]]) + else: + performance_bins = np.array(performance_bins) + if percentage: + max_baseline = np.max(baseline_discoveries) + performance_levels = performance_bins * max_baseline + else: + performance_levels = performance_bins + + accel_factors = [] + for target_performance in performance_levels: + # Find first index where performance >= target_performance + proposal_reaches_target = np.where( + proposal_discoveries >= target_performance + )[0] + baseline_reaches_target = np.where( + baseline_discoveries >= target_performance + )[0] + + # If target performance is never achieved, set to inf or 0 + if len(proposal_reaches_target) == 0: + proposal_queries_needed = float("inf") + else: + proposal_query_idx = proposal_reaches_target[0] + proposal_queries_needed = proposal_queries[proposal_query_idx] + + if len(baseline_reaches_target) == 0: + baseline_queries_needed = float("inf") + else: + baseline_query_idx = baseline_reaches_target[0] + baseline_queries_needed = baseline_queries[baseline_query_idx] + + # Calculate acceleration factor (baseline_queries / proposal_queries) + if proposal_queries_needed == 0 and baseline_queries_needed == 0: + accel_factor_val = 1.0 + elif proposal_queries_needed == 0: + accel_factor_val = float("inf") + elif baseline_queries_needed == float( + "inf" + ) or proposal_queries_needed == float("inf"): + accel_factor_val = 0.0 + else: + accel_factor_val = baseline_queries_needed / proposal_queries_needed + + accel_factors.append(accel_factor_val) + + result = np.array(accel_factors, dtype=float) + + # Return single value if only one target (backward compatibility) + if len(result) == 1: + return float(result[0]) + return result + + @classmethod + def calculate( + cls, + metrics_history: list[dict[str, Any]], + *, + baseline_metrics_history: list[dict[str, Any]] | None = None, + metric_key: str = "num_newly_discovered_structures", + query_key: str = "queries_used", + ) -> dict[str, float]: + """ + Calculate discovery curve metrics including area under curve, enhancement factor, + and acceleration factor. + + Note: This method returns final values only. To get enhancement factors at each + query point, use `enhancement_factor(..., return_array=True)`. To get acceleration + factors for multiple performance bins, use `acceleration_factor(..., performance_bins=...)`. + + Args: + metrics_history: List of metric dictionaries from each step of an episode. + Each dictionary should contain at least the specified metric_key and query_key. + Queries should be in order (not sorted). + baseline_metrics_history: Optional list of baseline metric dictionaries with + the same structure as metrics_history. If provided, enhancement and + acceleration factors will be computed against this baseline. + metric_key: Key to extract discoveries from metrics dictionary + (default: 'num_newly_discovered_structures'). + Common options: 'num_newly_discovered_structures', 'num_newly_discovered_stable'. + query_key: Key to extract query counts from metrics dictionary + (default: 'queries_used'). + + Returns: + Dictionary containing: + - area_under_discovery_curve: Area under the cumulative discoveries vs queries curve (unnormalized) + - area_under_discovery_curve_normalized: Normalized area under curve (divided by queries^2/2) + - enhancement_factor: Final enhancement factor (actual/baseline discoveries at final query) + - acceleration_factor: Final acceleration factor (baseline queries / actual queries for final discoveries) + """ + audc = cls.area_under_discovery_curve( + metrics_history, metric_key=metric_key, query_key=query_key, normalize=False + ) + audc_normalized = cls.area_under_discovery_curve( + metrics_history, metric_key=metric_key, query_key=query_key, normalize=True + ) + + enhancement_factor = 0.0 + acceleration_factor = 0.0 + + if baseline_metrics_history is not None: + enhancement_factor = cls.enhancement_factor( + metrics_history, + baseline_metrics_history, + return_array=False, + metric_key=metric_key, + query_key=query_key, + ) + acceleration_factor = cls.acceleration_factor( + metrics_history, + baseline_metrics_history, + metric_key=metric_key, + query_key=query_key, + ) + + return { + "area_under_discovery_curve": audc, + "area_under_discovery_curve_normalized": audc_normalized, + "enhancement_factor": enhancement_factor, + "acceleration_factor": acceleration_factor, + } diff --git a/made/oracles/__init__.py b/made/oracles/__init__.py new file mode 100644 index 0000000..1657cb2 --- /dev/null +++ b/made/oracles/__init__.py @@ -0,0 +1,11 @@ +from .ase_potential import ASEPotentialOracle +from .classic.analytic import AnalyticOracle +from .mace.mace_oracle import MACEOracle +from .orb.orb_oracle import ORBOracle + +__all__ = [ + "ASEPotentialOracle", + "ORBOracle", + "AnalyticOracle", + "MACEOracle", +] diff --git a/made/oracles/ase_potential.py b/made/oracles/ase_potential.py new file mode 100644 index 0000000..96cd2c0 --- /dev/null +++ b/made/oracles/ase_potential.py @@ -0,0 +1,231 @@ +""" +ASE-based oracle that reports potential energy from an attached ASE calculator. + +Intended for use with MLIPs (e.g., MACE, NequIP, CHGNet-ASE wrappers) or DFT +calculators. It converts `pymatgen` Structures to ASE `Atoms`, evaluates the +potential energy, and returns both total and per-atom energies. +""" + +import copy +import json +import logging +import threading +from collections.abc import Callable +from typing import Any + +from ase import Atoms +from ase.calculators.calculator import Calculator +from ase.filters import FrechetCellFilter +from ase.optimize import BFGS, FIRE, LBFGS +from pymatgen.core.structure import Structure +from pymatgen.io.ase import AseAtomsAdaptor + +from made.oracles.base import Oracle + +logger = logging.getLogger(__name__) + + +class ASEPotentialOracle(Oracle): + """Oracle that evaluates energy using an ASE calculator. + + Parameters + - calculator: An ASE `Calculator` instance, or a callable returning one. + - element_reference_energies: Optional map of elemental symbol to reference energy per atom (e.g. from materials project) + - element_reference_energies_path: Optional path to a JSON file containing elemental reference energies. + If provided and `element_reference_energies` is not passed, this file will be loaded. + - relax: Whether to relax the structure using ASE. + - relax_kwargs: Keyword arguments to pass to the ASE structure optimizer (e.g. optimizer, maxstep, alpha, fmax, steps) + """ + + def __init__( + self, + calculator: Calculator | Callable[[], Calculator], + element_reference_energies_path: str | None = None, + relax: bool = True, + relax_kwargs: dict[str, Any] | None = None, + num_workers: int = 1, + ) -> None: + super().__init__(num_workers=num_workers) + # Store calculator factory for thread-safe creation + if callable(calculator): + self._calculator_factory = calculator + # Create initial calculator for single-threaded case + self.calculator: Calculator = calculator() + else: + # For non-callable calculators, try to create copies for thread-safety + calc_instance = calculator + + # Try to use copy.deepcopy if the calculator supports it + # Some calculators (like ORB) may have complex state that can't be easily copied + def create_calc_copy(): + try: + # Attempt deep copy + return copy.deepcopy(calc_instance) + except (TypeError, AttributeError, ValueError) as e: + logger.warning( + f"Could not copy calculator for thread-local use: {e}. " + "Using same instance - this may cause thread-safety issues with num_workers > 1. " + "Consider passing a callable factory instead." + ) + return calc_instance + + self._calculator_factory = create_calc_copy + self.calculator: Calculator = calc_instance + self._thread_local = threading.local() + self._element_reference_energies: dict[str, float] = {} + self._adaptor = AseAtomsAdaptor() + self.relax = relax + self.relax_kwargs = relax_kwargs or {} + + if element_reference_energies_path is not None: + logger.info( + f"Loading elemental reference energies from {element_reference_energies_path}" + ) + self._element_reference_energies.update( + self._load_element_reference_energies_from_file( + element_reference_energies_path + ) + ) + else: + logger.warning( + "No elemental reference energies provided, make sure to compute them using compute_elemental_energies_from_structures using the oracle" + ) + self._element_reference_energies = {} + + def _get_thread_calculator(self) -> Calculator: + """Get a thread-local calculator instance.""" + if not hasattr(self._thread_local, "calculator"): + self._thread_local.calculator = self._calculator_factory() + return self._thread_local.calculator + + # ---- Public API ---- + def evaluate(self, structure: Structure) -> dict[str, Any]: + # Use thread-local calculator if using multiple workers, otherwise use shared one + if self.num_workers > 1: + calc = self._get_thread_calculator() + else: + calc = self.calculator + + atoms = self._adaptor.get_atoms(structure) + atoms.calc = calc + if self.relax: + atoms = self.relax_structure(atoms, calc=calc, **self.relax_kwargs) + + total_energy = float(atoms.get_potential_energy()) + num_atoms = int(len(atoms)) + energy_per_atom = ( + total_energy / float(num_atoms) if num_atoms > 0 else float("nan") + ) + + return { + "energy": total_energy, + "energy_per_atom": energy_per_atom, + "natoms": num_atoms, + "formula": structure.composition.formula, + } + + def relax_structure( + self, atoms: Atoms, calc: Calculator | None = None, **kwargs + ) -> Atoms: + """Relax a structure using ASE.""" + # Create a copy to avoid modifying input + atoms = atoms.copy() + if kwargs.get("perturb_structure"): + atoms.rattle(stdev=kwargs.get("perturb_structure", 0.05)) + + # Set up calculator (use provided calc or fall back to default) + atoms.calc = calc if calc is not None else self.calculator + + ecf = FrechetCellFilter(atoms) if kwargs.get("relax_unit_cell", True) else atoms + + optimizer_type = kwargs.get("optimizer", "fire") + + if optimizer_type == "fire": + optimizer = FIRE(ecf) + elif optimizer_type == "bfgs": + optimizer = BFGS( + ecf, + maxstep=kwargs.get("maxstep", 0.04), + alpha=kwargs.get("alpha", 70.0), + ) + elif optimizer_type == "lbfgs": + optimizer = LBFGS(ecf) + else: + raise ValueError(f"Unknown optimizer: {optimizer}") + + optimizer.run(fmax=kwargs.get("fmax", 0.02), steps=kwargs.get("steps", 500)) + return atoms + + # Optional helpers used by environments for seeding elemental references + @property + def element_reference_energies(self) -> dict[str, float]: + return dict(self._element_reference_energies) + + def get_element_reference_energy(self, symbol: str) -> float: + if symbol not in self._element_reference_energies: + raise KeyError(f"No reference energy available for element '{symbol}'.") + return float(self._element_reference_energies[symbol]) + + def compute_elemental_energies_from_structures( + self, elemental_entries_with_structures: list[tuple[Any, Structure]] + ) -> dict[str, float]: + """ + Compute elemental reference energies using the oracle from stable elemental structures. + + Args: + elemental_entries_with_structures: List of (PDEntry, Structure) tuples for elemental entries + + Returns: + Dictionary mapping element symbols to energy per atom + """ + computed_energies = {} + + for entry, structure in elemental_entries_with_structures: + # Get the element symbol from the entry's composition + composition = entry.composition + if len(composition.elements) != 1: + raise ValueError(f"Expected elemental composition, got {composition}") + + element_symbol = str(composition.elements[0]) + + # Evaluate the structure using the oracle + oracle_result = self.evaluate(structure) + + # Extract energy per atom + if "energy_per_atom" in oracle_result: + energy_per_atom = float(oracle_result["energy_per_atom"]) + elif "energy" in oracle_result: + energy_per_atom = float(oracle_result["energy"]) / float( + structure.num_sites + ) + else: + raise ValueError( + "Oracle result must contain 'energy' or 'energy_per_atom'" + ) + + computed_energies[element_symbol] = energy_per_atom + logger.info( + f"Computed elemental energy for {element_symbol}: {energy_per_atom:.6f} eV/atom" + ) + + # Update the oracle's internal reference energies + self._element_reference_energies.update(computed_energies) + + return computed_energies + + def set_element_reference_energies(self, energies: dict[str, float]) -> None: + """Set elemental reference energies directly.""" + self._element_reference_energies.update(energies) + + # ---- Internals ---- + @staticmethod + def _load_element_reference_energies_from_file(path: str) -> dict[str, float]: + """Load elemental reference energies from a JSON file.""" + with open( + path, + ) as f: + ref_energies = json.load(f) + ref_energies = { + k: v["energy"] / v["composition"][k] for k, v in ref_energies.items() + } + return ref_energies diff --git a/made/oracles/base.py b/made/oracles/base.py new file mode 100644 index 0000000..4c27231 --- /dev/null +++ b/made/oracles/base.py @@ -0,0 +1,96 @@ +""" +Base class for all oracles +""" + +import logging +from abc import ABC, abstractmethod +from concurrent.futures import ThreadPoolExecutor, as_completed +from typing import Any + +from pymatgen.core.structure import Structure + +logger = logging.getLogger(__name__) + + +class Oracle(ABC): + """ + Base class for all oracles + """ + + def __init__(self, num_workers: int = 1) -> None: + """ + Initialize oracle. + + Args: + num_workers: Number of worker threads for parallel evaluation (default: 1). + If > 1, structures will be split into batches and processed in parallel. + """ + self.num_workers = num_workers + + @abstractmethod + def evaluate(self, structure: Structure) -> dict[str, Any]: + """ + Evaluate the structure and return a dict with evaluation results. + """ + + def batch_evaluate(self, structures: list[Structure]) -> list[dict[str, Any]]: + """ + Evaluate multiple structures in batch using threading. + + Structures are automatically split into batches based on `num_workers`. + Results are returned in the same order as input structures. + + Args: + structures: List of structures to evaluate + + Returns: + List of evaluation results, one per structure (same order) + """ + if not structures: + return [] + + # If single worker, process sequentially + if self.num_workers == 1: + return [self.evaluate(structure) for structure in structures] + + # Calculate number of batches based on num_workers + # Split structures as evenly as possible across num_workers + num_structures = len(structures) + num_batches = min(self.num_workers, num_structures) + batch_size = ( + num_structures + num_batches - 1 + ) // num_batches # Ceiling division + + # Split structures into batches + batches = [] + for i in range(0, num_structures, batch_size): + batch = structures[i : i + batch_size] + batches.append((i, batch)) + + results = [None] * num_structures + + # Process batches in parallel using ThreadPoolExecutor + def evaluate_batch(batch: list[Structure]) -> list[dict[str, Any]]: + """Helper function to evaluate a batch of structures.""" + return [self.evaluate(structure) for structure in batch] + + logger.info( + f"Evaluating {num_structures} structures in {num_batches} batches with {self.num_workers} workers" + ) + + with ThreadPoolExecutor(max_workers=self.num_workers) as executor: + # Submit all batch evaluation tasks + future_to_batch = { + executor.submit(evaluate_batch, batch): (start_idx, batch) + for start_idx, batch in batches + } + + # Collect results as they complete (maintaining order) + for future in as_completed(future_to_batch): + start_idx, batch = future_to_batch[future] + batch_results = future.result() + # Store results at correct indices + for j, result in enumerate(batch_results): + results[start_idx + j] = result + + return results diff --git a/made/oracles/classic/__init__.py b/made/oracles/classic/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/made/oracles/classic/analytic.py b/made/oracles/classic/analytic.py new file mode 100644 index 0000000..b90ea25 --- /dev/null +++ b/made/oracles/classic/analytic.py @@ -0,0 +1,46 @@ +""" +Analytic oracle that uses a pre-computed formula to score structures. +""" + +from typing import Any + +from ase.calculators.lj import LennardJones + +from made.oracles.ase_potential import ASEPotentialOracle + + +class AnalyticOracle(ASEPotentialOracle): + """ORB-based atomic simulator - only handles ORB calculator setup.""" + + def __init__( + self, + model_name: str, + element_reference_energies_path: str | None = None, + relax: bool = True, + relax_kwargs: dict[str, Any] | None = None, + num_workers: int = 1, + ): + """Initialize Analytic atomic simulator. + + Args: + model_name: Analytic model to use + element_reference_energies_path: Path to a JSON file containing elemental reference energies. + relax: Whether to relax the structure using ASE. + relax_kwargs: Keyword arguments to pass to the ASE structure optimizer. + num_workers: Number of worker threads for parallel evaluation (default: 1) + """ + model_name = model_name.lower() + + if model_name == "lj": + calculator = LennardJones() + else: + raise ValueError(f"Unknown analytic model: {model_name}") + + # Initialize parent class with calculator + super().__init__( + calculator=calculator, + element_reference_energies_path=element_reference_energies_path, + relax=relax, + relax_kwargs=relax_kwargs or {}, + num_workers=num_workers, + ) diff --git a/made/oracles/mace/__init__.py b/made/oracles/mace/__init__.py new file mode 100644 index 0000000..ac3ba99 --- /dev/null +++ b/made/oracles/mace/__init__.py @@ -0,0 +1,3 @@ +from .mace_oracle import MACEOracle + +__all__ = ["MACEOracle"] diff --git a/made/oracles/mace/mace_oracle.py b/made/oracles/mace/mace_oracle.py new file mode 100644 index 0000000..b1d6f63 --- /dev/null +++ b/made/oracles/mace/mace_oracle.py @@ -0,0 +1,117 @@ +""" +MACE-based oracle - handles MACE calculator setup +""" + +from enum import Enum +from typing import Any + +import torch +from mace.calculators import mace_mp, mace_off + +from made.oracles.ase_potential import ASEPotentialOracle + + +class MACEModelName(str, Enum): + """Available MACE model types.""" + + MP = "mp" # Materials Project models + OFF = "off" # Organic Force Field models + CUSTOM = "custom" # Custom model from file path + + +class DeviceType(str, Enum): + """Available device types for computation.""" + + AUTO = "auto" + CPU = "cpu" + CUDA = "cuda" + + +class MACEOracle(ASEPotentialOracle): + """MACE-based atomic simulator - handles MACE calculator setup.""" + + def __init__( + self, + model_name: MACEModelName | str = MACEModelName.MP, + model: str = "medium", + device: DeviceType | str = DeviceType.AUTO, + default_dtype: str = "float32", + dispersion: bool = False, + model_path: str | None = None, + element_reference_energies_path: str | None = None, + relax: bool = True, + relax_kwargs: dict[str, Any] | None = None, + num_workers: int = 1, + ): + """Initialize MACE atomic simulator. + + Args: + model_name: Type of MACE model to use ("mp", "off", or "custom") + model: Model size/name ("small", "medium", "large", or custom model name) + device: Device to run on ("auto", "cpu", or "cuda") + default_dtype: Default dtype for calculations ("float32" or "float64") + dispersion: Whether to include dispersion correction (for mace_mp) + model_path: Path to custom model file (required if model_type is "custom") + element_reference_energies_path: Optional path to JSON file containing elemental reference energies + relax: Whether to relax the structure using ASE + relax_kwargs: Keyword arguments to pass to the ASE structure optimizer + num_workers: Number of worker threads for parallel evaluation (default: 1) + """ + + # Allow passing strings via Hydra config and convert to enums + self.model_name = ( + MACEModelName(model_name) if isinstance(model_name, str) else model_name + ) + self.device = DeviceType(device) if isinstance(device, str) else device + if self.device == DeviceType.AUTO: + self.device = ( + DeviceType.CUDA if torch.cuda.is_available() else DeviceType.CPU + ) + self.model = model + self.default_dtype = default_dtype + self.dispersion = dispersion + self.model_path = model_path + + # Validate model_name and model_path + if self.model_name == MACEModelName.CUSTOM and model_path is None: + raise ValueError("model_path must be provided when model_name is 'custom'") + + device_value = self.device.value + + # Create a factory function that creates a new calculator instance + # This ensures thread-safety when using multiple workers + def create_mace_calculator(): + if self.model_name == MACEModelName.MP: + return mace_mp( + model=self.model, + device=device_value, + default_dtype=self.default_dtype, + dispersion=self.dispersion, + ) + elif self.model_name == MACEModelName.OFF: + return mace_off( + model=self.model, + device=device_value, + default_dtype=self.default_dtype, + ) + elif self.model_name == MACEModelName.CUSTOM: + # For custom models, we need to load from file + # MACE custom models are typically loaded using MACECalculator + from mace.calculators import MACECalculator + + return MACECalculator( + model_paths=self.model_path, + device=device_value, + default_dtype=self.default_dtype, + ) + else: + raise ValueError(f"Unknown model_name: {self.model_name}") + + # Initialize parent class with calculator factory + super().__init__( + calculator=create_mace_calculator, + element_reference_energies_path=element_reference_energies_path, + relax=relax, + relax_kwargs=relax_kwargs or {}, + num_workers=num_workers, + ) diff --git a/made/oracles/orb/__init__.py b/made/oracles/orb/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/made/oracles/orb/orb_oracle.py b/made/oracles/orb/orb_oracle.py new file mode 100644 index 0000000..0df3776 --- /dev/null +++ b/made/oracles/orb/orb_oracle.py @@ -0,0 +1,138 @@ +""" +ORB-based oracle - only handles ORB calculator setup +""" + +from enum import Enum +from typing import Any + +import torch +from orb_models.forcefield.calculator import ORBCalculator + +from made.oracles.ase_potential import ASEPotentialOracle + + +class ORBModelName(str, Enum): + """Available ORB model names.""" + + # ORB v3 Conservative models + ORB_V3_CONSERVATIVE_INF_OMAT = "orb-v3-conservative-inf-omat" + ORB_V3_CONSERVATIVE_20_OMAT = "orb-v3-conservative-20-omat" + ORB_V3_CONSERVATIVE_INF_MPA = "orb-v3-conservative-inf-mpa" + ORB_V3_CONSERVATIVE_20_MPA = "orb-v3-conservative-20-mpa" + + # ORB v3 Direct models + ORB_V3_DIRECT_INF_OMAT = "orb-v3-direct-inf-omat" + ORB_V3_DIRECT_20_OMAT = "orb-v3-direct-20-omat" + ORB_V3_DIRECT_INF_MPA = "orb-v3-direct-inf-mpa" + ORB_V3_DIRECT_20_MPA = "orb-v3-direct-20-mpa" + + # ORB v2 models + ORB_V2 = "orb-v2" + ORB_D3_V2 = "orb-d3-v2" + ORB_D3_SM_V2 = "orb-d3-sm-v2" + ORB_D3_XS_V2 = "orb-d3-xs-v2" + ORB_MPTRAJ_ONLY_V2 = "orb-mptraj-only-v2" + + # ORB v1 models + ORB_V1 = "orb-v1" + ORB_D3_V1 = "orb-d3-v1" + ORB_D3_SM_V1 = "orb-d3-sm-v1" + ORB_D3_XS_V1 = "orb-d3-xs-v1" + ORB_V1_MPTRAJ_ONLY = "orb-v1-mptraj-only" + + @classmethod + def get_function_mapping(cls): + """Get mapping from model names to pretrained function names.""" + return { + cls.ORB_V3_CONSERVATIVE_INF_OMAT: "orb_v3_conservative_inf_omat", + cls.ORB_V3_CONSERVATIVE_20_OMAT: "orb_v3_conservative_20_omat", + cls.ORB_V3_CONSERVATIVE_INF_MPA: "orb_v3_conservative_inf_mpa", + cls.ORB_V3_CONSERVATIVE_20_MPA: "orb_v3_conservative_20_mpa", + cls.ORB_V3_DIRECT_INF_OMAT: "orb_v3_direct_inf_omat", + cls.ORB_V3_DIRECT_20_OMAT: "orb_v3_direct_20_omat", + cls.ORB_V3_DIRECT_INF_MPA: "orb_v3_direct_inf_mpa", + cls.ORB_V3_DIRECT_20_MPA: "orb_v3_direct_20_mpa", + cls.ORB_V2: "orb_v2", + cls.ORB_D3_V2: "orb_d3_v2", + cls.ORB_D3_SM_V2: "orb_d3_sm_v2", + cls.ORB_D3_XS_V2: "orb_d3_xs_v2", + cls.ORB_MPTRAJ_ONLY_V2: "orb_mptraj_only_v2", + cls.ORB_V1: "orb_v1", + cls.ORB_D3_V1: "orb_d3_v1", + cls.ORB_D3_SM_V1: "orb_d3_sm_v1", + cls.ORB_D3_XS_V1: "orb_d3_xs_v1", + cls.ORB_V1_MPTRAJ_ONLY: "orb_v1_mptraj_only", + } + + @property + def function_name(self) -> str: + """Get the corresponding pretrained function name.""" + mapping = self.get_function_mapping() + if self in mapping: + return mapping[self] + # Fallback: replace hyphens with underscores + return self.value.replace("-", "_") + + +class DeviceType(str, Enum): + """Available device types for computation.""" + + AUTO = "auto" + CPU = "cpu" + CUDA = "cuda" + + +class ORBOracle(ASEPotentialOracle): + """ORB-based atomic simulator - only handles ORB calculator setup.""" + + def __init__( + self, + model_name: ORBModelName | str, + device: DeviceType | str = DeviceType.AUTO, + element_reference_energies_path: str | None = None, + relax: bool = True, + relax_kwargs: dict[str, Any] | None = None, + num_workers: int = 1, + ): + """Initialize ORB atomic simulator. + + Args: + model_name: ORB model to use + device: Device to run on + element_reference_energies: Optional map of elemental symbol to reference energy per atom (e.g. from materials project) + relax: Whether to relax the structure using ASE. + relax_kwargs: Keyword arguments to pass to the ASE structure optimizer. + num_workers: Number of worker threads for parallel evaluation (default: 1) + """ + + # Allow passing strings via Hydra config and convert to enums + self.model_name = ( + ORBModelName(model_name) if isinstance(model_name, str) else model_name + ) + self.device = DeviceType(device) if isinstance(device, str) else device + if device == DeviceType.AUTO: + self.device = ( + DeviceType.CUDA if torch.cuda.is_available() else DeviceType.CPU + ) + + # Store model configuration for factory function + func_name = self.model_name.function_name + device_value = self.device.value + + # Create a factory function that creates a new calculator instance + # This ensures thread-safety when using multiple workers + def create_orb_calculator(): + from orb_models.forcefield import pretrained + + model_func = getattr(pretrained, func_name) + model = model_func(device=device_value, compile=False) + return ORBCalculator(model, device=device_value) + + # Initialize parent class with calculator factory + super().__init__( + calculator=create_orb_calculator, + element_reference_energies_path=element_reference_energies_path, + relax=relax, + relax_kwargs=relax_kwargs or {}, + num_workers=num_workers, + ) diff --git a/made/oracles/qe/__init__.py b/made/oracles/qe/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/made/oracles/qe/qe_oracle.py b/made/oracles/qe/qe_oracle.py new file mode 100644 index 0000000..05613aa --- /dev/null +++ b/made/oracles/qe/qe_oracle.py @@ -0,0 +1,3 @@ +""" +DFT oracle using Quantum ESPRESSO. +""" diff --git a/made/utils/__init__.py b/made/utils/__init__.py new file mode 100644 index 0000000..f902d0d --- /dev/null +++ b/made/utils/__init__.py @@ -0,0 +1,5 @@ +"""Utility functions for MADE.""" + +from made.utils.agent_utils import normalize_component_list + +__all__ = ["normalize_component_list"] diff --git a/made/utils/agent_utils.py b/made/utils/agent_utils.py new file mode 100644 index 0000000..0af9afc --- /dev/null +++ b/made/utils/agent_utils.py @@ -0,0 +1,51 @@ +"""Utility functions for agents.""" + +from __future__ import annotations + +from typing import TYPE_CHECKING + +if TYPE_CHECKING: + from made.agents.base import Filter, Scorer + + +def normalize_component_list( + component: Filter | list[Filter] | Scorer | list[Scorer], + component_name: str, + chain_class_name: str, + chain_module_path: str, +) -> Filter | Scorer: + """ + Normalize a component that can be a single instance or a list. + + If a list with one item, unwrap it. If a list with multiple items, + wrap in the appropriate Chain class. + + Args: + component: Single component or list of components + component_name: Name for error messages (e.g., "Filter", "Scorer") + chain_class_name: Name of the Chain class to import + chain_module_path: Module path to import the Chain class from + + Returns: + Single component instance (or Chain instance if multiple) + + Examples: + >>> # Single filter + >>> normalize_component_list(filter, "Filter", "FilterChain", "made.agents.filters.chain") + + >>> # List of filters + >>> normalize_component_list([f1, f2], "Filter", "FilterChain", "made.agents.filters.chain") + """ + if isinstance(component, list): + if len(component) == 1: + # Single component in list - unwrap it + return component[0] + elif len(component) == 0: + raise ValueError(f"{component_name} list cannot be empty") + else: + # Multiple components - wrap in Chain + module = __import__(chain_module_path, fromlist=[chain_class_name]) + chain_class = getattr(module, chain_class_name) + return chain_class(component) + else: + return component diff --git a/made/utils/convex_hull_utils.py b/made/utils/convex_hull_utils.py new file mode 100644 index 0000000..d131a91 --- /dev/null +++ b/made/utils/convex_hull_utils.py @@ -0,0 +1,134 @@ +"""Utility functions for convex hull calculations and phase diagram operations.""" + +import logging +from typing import Any + +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.composition import Composition +from pymatgen.core.structure import Structure + +logger = logging.getLogger(__name__) + + +def safe_e_above_hull(phase_diagram: PhaseDiagram, entry: PDEntry) -> float: + """Return e_above_hull with robust handling for elemental duplicates. + + If a valid decomposition is not found (commonly when the proposal is an + elemental entry conflicting with the current elemental reference), warn + and fall back to a manual computation for elemental compositions. + + This function is side-effect-free and does not modify the phase diagram. + + Args: + phase_diagram: The phase diagram to compute e_above_hull against. + entry: The PDEntry to compute e_above_hull for. + + Returns: + Energy above hull in eV/atom. Returns float("inf") if computation fails + for non-elemental compositions, or if no elemental reference is available. + """ + try: + return phase_diagram.get_e_above_hull(entry) + except ValueError as exc: # pragma: no cover - resilience path + comp = entry.composition + logger.warning( + f"Phase diagram decomposition failed for {comp}: {exc}. " + "Falling back to safe handling." + ) + + # Only special-case single-element compositions + if len(comp.elements) == 1: + elem = list(comp.elements)[0] + # Try to obtain the current elemental reference from the PD + try: + ref_entry = phase_diagram.el_refs[elem] + except Exception: + # If we cannot obtain a reference, treat as undefined + return float("inf") + + entry_e_pa = entry.energy_per_atom + ref_e_pa = ref_entry.energy_per_atom + + # Compute a non-negative difference relative to the reference + return max(0.0, entry_e_pa - ref_e_pa) + + # For non-elemental cases where decomposition failed, return +inf to mark unstable + return float("inf") + + +def formulas_within_epsilon(phase_diagram: PhaseDiagram, epsilon: float) -> set[str]: + """Get formulas of entries within epsilon of the convex hull for a given PD. + + Args: + phase_diagram: The phase diagram to analyze. + epsilon: Energy tolerance in eV/atom. + + Returns: + Set of reduced alphabetical formulas for entries within epsilon of the hull. + """ + formulas: set[str] = set() + for e in phase_diagram.all_entries: + try: + if float(safe_e_above_hull(phase_diagram, e)) <= float(epsilon): + formulas.add(e.composition.reduced_composition.alphabetical_formula) + except Exception: + continue + return formulas + + +def structure_result_to_entry( + structure: Structure, oracle_result: dict[str, Any] +) -> PDEntry: + """Create a PDEntry from a structure and oracle result. + + Expected oracle outputs: + - energy_per_atom (float) OR energy (float): If both present, energy takes precedence. + + Args: + structure: The structure to create an entry for. + oracle_result: Dictionary containing energy information from oracle. + + Returns: + A PDEntry with the structure attached as an attribute. + + Raises: + ValueError: If oracle result doesn't contain required energy information. + """ + composition: Composition = structure.composition + num_atoms = structure.num_sites + + if "energy" in oracle_result and isinstance(oracle_result["energy"], (int | float)): + total_energy = float(oracle_result["energy"]) + elif "energy_per_atom" in oracle_result: + total_energy = float(oracle_result["energy_per_atom"]) * float(num_atoms) + else: + raise ValueError( + "Oracle result must contain 'energy' or 'energy_per_atom' to build a PDEntry." + ) + + # Attach structure as attribute for later access/serialization + return PDEntry( + composition=composition, + energy=total_energy, + attribute={"structure": structure.as_dict()}, + ) + + +def extract_structure_from_entry(entry: PDEntry) -> Structure | None: + """Extract structure from PDEntry. + + Args: + entry: The PDEntry to extract structure from. + + Returns: + The Structure if found in entry attributes, None otherwise. + """ + if ( + hasattr(entry, "attribute") + and entry.attribute is not None + and "structure" in entry.attribute + ): + structure_dict = entry.attribute["structure"] + return Structure.from_dict(structure_dict) + + return None diff --git a/made/utils/llm.py b/made/utils/llm.py new file mode 100644 index 0000000..436d633 --- /dev/null +++ b/made/utils/llm.py @@ -0,0 +1,200 @@ +""" +Shared utilities for LLM-based components +""" + +import random +from collections import Counter +from typing import Any + +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.structure import Structure + +from made.utils.convex_hull_utils import safe_e_above_hull + + +def pd_from_state(state: dict[str, Any]) -> PhaseDiagram | None: + entries_raw = state.get("phase_diagram_all_entries", []) + if not entries_raw: + return None + entries = [PDEntry.from_dict(e) for e in entries_raw] + return PhaseDiagram(entries) + + +def summarize_context_for_llm( + state: dict[str, Any], + stability_tolerance: float | None = None, + include_structures: bool = True, + include_composition_counter: bool = True, + include_recent_trial: bool = True, + max_entries: int | None = None, +) -> dict[str, Any]: + """Summarize experiment context for LLM consumption. + + Args: + state: Current experiment state + stability_tolerance: e_above_hull threshold for stability + include_structures: Include full structure info (pymatgen string representation) + include_composition_counter: Include composition trial counts + include_recent_trial: Include most recent trial info + max_entries: Maximum number of entries to include. If exceeded, randomly + samples entries while always including stable/metastable ones first. + """ + pd = pd_from_state(state) + elements = state.get("elements", []) + + # Get stability tolerance from parameter or state + if stability_tolerance is None: + stability_tolerance = state.get("stability_tolerance", 1e-8) + + if pd is None: + return { + "query_count": state.get("query_count", 0), + "chemical_space": elements, + "stability_tolerance": stability_tolerance, + } + + entries = sorted(pd.all_entries, key=lambda e: float(safe_e_above_hull(pd, e))) + + # Apply max_entries limit with random sampling if needed + total_entries = len(entries) + sampled = False + if max_entries is not None and len(entries) > max_entries: + # Prioritize stable/metastable entries, then randomly sample the rest + stable_entries = [ + e for e in entries if float(safe_e_above_hull(pd, e)) <= stability_tolerance + ] + unstable_entries = [ + e for e in entries if float(safe_e_above_hull(pd, e)) > stability_tolerance + ] + + # Always include all stable entries (up to max_entries) + if len(stable_entries) >= max_entries: + entries = random.sample(stable_entries, max_entries) + else: + # Fill remaining slots with random unstable entries + remaining_slots = max_entries - len(stable_entries) + sampled_unstable = random.sample( + unstable_entries, min(remaining_slots, len(unstable_entries)) + ) + entries = stable_entries + sampled_unstable + + # Re-sort by e_above_hull + entries = sorted(entries, key=lambda e: float(safe_e_above_hull(pd, e))) + sampled = True + + entries_summary = [] + for e in entries: + e_hull = float(safe_e_above_hull(pd, e)) + is_stable_metastable = e_hull <= stability_tolerance + + entry_summary: dict[str, Any] = { + "full_formula": e.composition.formula, # Full formula (e.g., Li4O2) + "reduced_formula": e.composition.reduced_formula, # Reduced (e.g., Li2O) + "energy_per_atom": f"{e.energy_per_atom:.4f}", + "formation_energy_per_atom": f"{pd.get_form_energy_per_atom(e):.4f}", + "e_above_hull": f"{e_hull:.4f}", + "is_stable_or_metastable": is_stable_metastable, + } + if include_structures: + # Use pymatgen's string representation for complete structural info + entry_summary["structure"] = str( + Structure.from_dict(e.attribute["structure"]) + ) + entries_summary.append(entry_summary) + + context: dict[str, Any] = { + "query_count": state.get("query_count", 0), + "chemical_space": elements, + "stability_tolerance": stability_tolerance, + "state": { + "evaluated_entries_summary": entries_summary, + "total_entries": total_entries, + }, + } + + # Note if we sampled + if sampled: + context["state"]["entries_sampled"] = True + context["state"]["entries_shown"] = len(entries) + + if include_composition_counter: + # Use full entries list for accurate counts (not sampled) + all_entries = pd.all_entries + # Count by reduced formula (phase diagram points) + reduced_counts = Counter( + e.composition.reduced_formula for e in all_entries + ).most_common() + context["state"]["reduced_composition_trial_counts"] = dict(reduced_counts) + + # Also count by full formula (different structure sizes) + full_counts = Counter(e.composition.formula for e in all_entries).most_common() + context["state"]["full_composition_trial_counts"] = dict(full_counts) + + last = state.get("last_observation") + if last and include_recent_trial: + structure = Structure.from_dict(state["last_observation"]["proposal"]) + e_hull_last = last.get("e_above_hull", float("inf")) + context["recent_trial"] = { + "full_formula": structure.composition.formula, + "reduced_formula": structure.composition.reduced_formula, + "formation_energy_per_atom": f"{last.get('formation_energy_per_atom'):.4f}", + "energy_per_atom": f"{last.get('energy_per_atom'):.4f}", + "e_above_hull": f"{e_hull_last:.4f}", + "is_stable_or_metastable": e_hull_last <= stability_tolerance, + "is_newly_discovered": bool(last.get("is_newly_discovered", False)), + } + + return context + + +def summarize_candidates_for_llm( + candidates: list[Structure], + include_structures: bool = True, + max_candidates: int | None = None, +) -> tuple[list[dict[str, Any]], list[int]]: + """Summarize candidate structures for LLM consumption. + + Args: + candidates: List of candidate structures + include_structures: Include full structure info (pymatgen string representation) + max_candidates: Maximum number of candidates to include. If exceeded, + randomly samples candidates. + + Returns: + Tuple of (summaries, original_indices) where: + - summaries: List of candidate summaries for LLM + - original_indices: List mapping summary index to original candidate index + (needed to map LLM selection back to original candidates) + """ + # Build list of (original_index, structure) pairs + indexed_candidates = list(enumerate(candidates)) + + # Apply max_candidates limit with random sampling if needed + total_candidates = len(candidates) + sampled = False + if max_candidates is not None and len(indexed_candidates) > max_candidates: + indexed_candidates = random.sample(indexed_candidates, max_candidates) + sampled = True + + summaries = [] + original_indices = [] + for display_idx, (orig_idx, s) in enumerate(indexed_candidates): + item: dict[str, Any] = { + "index": display_idx, # Index in the displayed list (for LLM selection) + "full_formula": s.composition.formula, + "reduced_formula": s.composition.reduced_formula, + "num_sites": len(s), + } + if include_structures: + # Use pymatgen's string representation for complete structural info + item["structure"] = str(s) + summaries.append(item) + original_indices.append(orig_idx) + + # Add metadata about sampling + if sampled and summaries: + summaries[0]["_note"] = ( + f"Showing {len(summaries)} of {total_candidates} candidates (randomly sampled)" + ) + + return summaries, original_indices diff --git a/made/utils/structure_hash.py b/made/utils/structure_hash.py new file mode 100644 index 0000000..d6ce786 --- /dev/null +++ b/made/utils/structure_hash.py @@ -0,0 +1,59 @@ +""" +Structure hashing utility for caching. + +Creates a hash key from composition + simplified structure representation. +Simplified representation: primitive cell, normalized (volume-normalized). +""" + +import hashlib + +from pymatgen.core.structure import Structure + + +def structure_hash(structure: Structure) -> str: + """ + Create a hash key from composition + simplified structure representation. + + The simplified representation: + - Gets primitive structure + - Normalizes to a canonical form for hashing + + Args: + structure: The structure to hash + + Returns: + A string hash key + """ + # Create a copy to avoid modifying the original + simplified = structure.copy() + + # Get primitive structure + simplified = simplified.get_primitive_structure() + + # Get reduced structure (Niggli reduction) for canonical form + simplified = simplified.get_reduced_structure(reduction_algo="LLL") + + # Create hash components + # 1. Composition (reduced formula) + composition_str = simplified.composition.reduced_formula + + # 2. Structure features: lattice parameters, species, fractional coordinates + lattice_params = simplified.lattice.abc + simplified.lattice.angles + lattice_str = ",".join(f"{v:.6f}" for v in lattice_params) + + # Species as atomic numbers (sorted by fractional coordinates) + species = [s.Z for s in simplified.species] + species_str = ",".join(str(z) for z in species) + + # Fractional coordinates (rounded to reasonable precision) + frac_coords = simplified.frac_coords + # Sort by species then coordinates for consistency (if same composition) + # Round to 6 decimal places for hashing + frac_coords_str = ",".join(f"{c:.6f}" for coord in frac_coords for c in coord) + + # Combine all components + hash_input = f"{composition_str}|{lattice_str}|{species_str}|{frac_coords_str}" + + # Create SHA256 hash + hash_obj = hashlib.sha256(hash_input.encode("utf-8")) + return hash_obj.hexdigest() diff --git a/notebooks/basic_analysis.ipynb b/notebooks/basic_analysis.ipynb new file mode 100644 index 0000000..7229779 --- /dev/null +++ b/notebooks/basic_analysis.ipynb @@ -0,0 +1,158 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# MADE Results Analysis\n", + "\n", + "This notebook demonstrates how to load and analyze results from MADE benchmark runs." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "from pathlib import Path\n", + "import matplotlib.pyplot as plt\n", + "\n", + "from results_analysis_utils import (\n", + " load_single_run_results,\n", + " load_baseline_results,\n", + " load_baseline_overall_summary,\n", + " load_baseline_per_system_summary,\n", + " load_experiment_metadata,\n", + " load_experiment_progress,\n", + " load_summary,\n", + " plot_discovery_curves,\n", + " plot_final_metrics_comparison,\n", + " results_to_dataframe,\n", + " STRATEGY_LABELS,\n", + ")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## 1. Loading Results from a Single Run\n", + "\n", + "Results from `run_benchmark.py` are saved in a timestamped directory." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Find the most recent results directory\n", + "results_base = Path(\"../results\")\n", + "run_dirs = sorted([d for d in results_base.iterdir() if d.is_dir() and not d.name.startswith(\"baselines\")])\n", + "\n", + "if run_dirs:\n", + " latest_run = run_dirs[-1]\n", + " print(f\"Loading results from: {latest_run.name}\")\n", + "else:\n", + " print(\"No results found. Run a benchmark first with: uv run scripts/run_benchmark.py\")\n", + " latest_run = None" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "if latest_run:\n", + " # Load episode trajectories\n", + " metrics_histories, final_metrics_list = load_single_run_results(latest_run, verbose=True)\n", + " print(f\"Loaded {len(metrics_histories)} episodes\")\n", + " \n", + " # Load summary statistics\n", + " summary = load_summary(latest_run)\n", + " if summary:\n", + " print(f\"\\nSummary metrics (showing key discovery metrics):\")\n", + " key_metrics = [\n", + " \"final/novelty_stable_unique_novel_count\",\n", + " \"final/novelty_stable_unique_novel_fraction\",\n", + " \"final/recall_formula\",\n", + " \"final/precision_formula\",\n", + " \"final/area_under_discovery_curve_normalized\",\n", + " ]\n", + " for key in key_metrics:\n", + " if key in summary:\n", + " value = summary[key]\n", + " clean_key = key.replace(\"final/\", \"\")\n", + " print(f\" {clean_key}: {value['mean']:.3f} \u00b1 {value.get('sem', 0):.3f}\")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## 2. Plot Discovery Curves\n", + "\n", + "Discovery curves show the cumulative number of stable structures discovered vs oracle queries." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "if latest_run and metrics_histories:\n", + " fig, ax = plt.subplots(figsize=(8, 6))\n", + " plot_discovery_curves(metrics_histories, label=\"Agent\", ax=ax)\n", + " ax.set_title(f\"Discovery Curve - {latest_run.name}\")\n", + " plt.show()" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## 3. Final Metrics Comparison\n", + "\n", + "Compare final metrics across episodes." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "if latest_run and final_metrics_list:\n", + " fig, ax = plt.subplots(figsize=(10, 6))\n", + " plot_final_metrics_comparison(final_metrics_list, ax=ax)\n", + " ax.set_title(\"Final Metrics (Mean \u00b1 Std across Episodes)\")\n", + " plt.show()" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": ".venv", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.7" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/notebooks/results_analysis_utils.py b/notebooks/results_analysis_utils.py new file mode 100644 index 0000000..6c7b6ba --- /dev/null +++ b/notebooks/results_analysis_utils.py @@ -0,0 +1,536 @@ +""" +Results Analysis Utilities for MADE + +This module provides functions for loading, processing, and visualizing +experimental results from MADE benchmark runs. +""" + +import json +from pathlib import Path +from typing import Any + +import matplotlib.pyplot as plt +import numpy as np +import pandas as pd + +from made.evaluation.metrics import DiscoveryCurveMetrics + +# Set default matplotlib parameters +plt.rcParams.update({ + "figure.dpi": 150, + "font.size": 12, + "axes.labelsize": 12, + "axes.titlesize": 14, + "xtick.labelsize": 10, + "ytick.labelsize": 10, + "legend.fontsize": 10, + "lines.markersize": 6, + "lines.linewidth": 1.5, +}) + + +# ============================================================================ +# Label Dictionaries +# ============================================================================ + +STRATEGY_LABELS = { + "random_generator_baseline": "Random", + "random_generator_baseline_no_smact": "Random (no SMACT)", + "random_generator_diversity_planner": "Random + Diversity", + "random_generator_mlip_ranking": "Random + MLIP", + "random_generator_ucb_planner": "Random + UCB", + "chemeleon_generative_baseline": "Chemeleon", + "chemeleon_diversity_planner": "Chemeleon + Diversity", + "chemeleon_mlip_ranking": "Chemeleon + MLIP", + "chemeleon_mlip_ranking_chain_filter": "Chemeleon + MLIP + Filter", + "llm_react_orchestrator": "LLM Orchestrator", +} + +METRIC_LABELS = { + "acceleration_factor": "Acceleration Factor (AF)", + "enhancement_factor": "Enhancement Factor (EF)", + "area_under_discovery_curve": "Area Under Discovery Curve (AUDC)", + "area_under_discovery_curve_normalized": "AUDC (Normalized)", + "novelty_stable_unique_novel_fraction": "mSUN Fraction", + "novelty_stable_unique_novel_count": "mSUN Count", + "num_newly_discovered_stable": "Stable Discoveries", + "recall_formula": "Formula Recall", + "precision_formula": "Formula Precision", +} + + +# ============================================================================ +# Data Loading Functions +# ============================================================================ + +def load_episode_trajectory(trajectory_file: Path) -> dict[str, Any] | None: + """Load an episode trajectory JSON file.""" + try: + with open(trajectory_file) as f: + return json.load(f) + except Exception as e: + print(f"Warning: Failed to load {trajectory_file}: {e}") + return None + + +def extract_metrics_history(trajectory: dict[str, Any]) -> list[dict[str, Any]] | None: + """ + Extract per-step metrics history from a trajectory. + + Returns a list of dicts, one per query, containing metrics like: + - queries_used: number of oracle queries so far + - num_newly_discovered_stable: cumulative stable discoveries + """ + # Try to get metrics_history from final_env_state (preferred) + if "final_env_state" in trajectory: + final_state = trajectory["final_env_state"] + if isinstance(final_state, dict) and "metrics_history" in final_state: + metrics_history = final_state["metrics_history"] + if isinstance(metrics_history, list) and len(metrics_history) > 0: + return metrics_history + + # Try top-level metrics_history + if "metrics_history" in trajectory: + metrics_history = trajectory["metrics_history"] + if isinstance(metrics_history, list) and len(metrics_history) > 0: + return metrics_history + + # Fallback: reconstruct from trajectory observations + if "trajectory" in trajectory: + observations = trajectory["trajectory"] + if not observations or not isinstance(observations, list): + return None + + metrics_list = [] + num_newly_discovered_stable = 0 + query_count = 0 + + for obs in observations: + if not isinstance(obs, dict): + continue + query_count += 1 + if obs.get("is_newly_discovered", False) and obs.get("is_stable", False): + num_newly_discovered_stable += 1 + metrics_list.append({ + "queries_used": query_count, + "num_newly_discovered_stable": num_newly_discovered_stable, + }) + + if metrics_list: + return metrics_list + + return None + + +def extract_final_metrics(trajectory: dict[str, Any]) -> dict[str, Any] | None: + """ + Extract final metrics from trajectory JSON. + + Returns a dict of final metrics (keys like 'acceleration_factor', etc.) + """ + if "metrics" in trajectory and isinstance(trajectory["metrics"], dict): + final_metrics = {} + for key, value in trajectory["metrics"].items(): + if isinstance(value, (int, float, str, bool)): + clean_key = key.replace("final/", "") if key.startswith("final/") else key + final_metrics[clean_key] = value + if final_metrics: + return final_metrics + return None + + +def load_single_run_results( + results_dir: Path, + verbose: bool = False +) -> tuple[list[list[dict]], list[dict]]: + """ + Load results from a single benchmark run (run_benchmark.py output). + + Args: + results_dir: Path to results directory (e.g., results/20260125-224513-orb-random/) + verbose: Print debug information + + Returns: + Tuple of: + - List of metrics_history lists (one per episode) + - List of final_metrics dicts (one per episode) + """ + trajectories_dir = results_dir / "trajectories" + if not trajectories_dir.exists(): + if verbose: + print(f"Warning: Trajectories directory not found: {trajectories_dir}") + return [], [] + + metrics_histories = [] + final_metrics_list = [] + + for traj_file in sorted(trajectories_dir.glob("episode_*.json")): + trajectory = load_episode_trajectory(traj_file) + if trajectory is None: + continue + + metrics_history = extract_metrics_history(trajectory) + if metrics_history: + metrics_histories.append(metrics_history) + + final_metrics = extract_final_metrics(trajectory) + if final_metrics: + final_metrics_list.append(final_metrics) + + return metrics_histories, final_metrics_list + + +def load_baseline_results( + experiment_dir: Path, + verbose: bool = False +) -> tuple[dict[str, list[list[dict]]], dict[str, list[dict]]]: + """ + Load results from a baseline experiment (run_baseline_experiments.py output). + + Args: + experiment_dir: Path to experiment directory containing systems/ subdirectory + verbose: Print debug information + + Returns: + Tuple of: + - Dict mapping system_id -> list of metrics_history lists (one per episode) + - Dict mapping system_id -> list of final_metrics dicts (one per episode) + """ + systems_dir = experiment_dir / "systems" + if not systems_dir.exists(): + if verbose: + print(f"Warning: Systems directory not found: {systems_dir}") + return {}, {} + + all_metrics_histories: dict[str, list[list[dict]]] = {} + all_final_metrics: dict[str, list[dict]] = {} + + for system_dir in systems_dir.iterdir(): + if not system_dir.is_dir(): + continue + + system_id = system_dir.name + metrics_histories, final_metrics_list = load_single_run_results(system_dir, verbose) + + if metrics_histories: + all_metrics_histories[system_id] = metrics_histories + if final_metrics_list: + all_final_metrics[system_id] = final_metrics_list + + return all_metrics_histories, all_final_metrics + + +def load_summary(results_dir: Path) -> dict[str, Any] | None: + """ + Load summary.json from a results directory. + + Returns the nested 'summary' dict containing metric statistics (mean/std/sem). + """ + summary_file = results_dir / "summary" / "summary.json" + if summary_file.exists(): + with open(summary_file) as f: + data = json.load(f) + # Summary stats are nested under 'summary' key + return data.get("summary", data) + return None + + +def load_baseline_overall_summary(experiment_dir: Path) -> dict[str, Any] | None: + """ + Load overall_summary/summary.json from a baseline experiment directory. + + Args: + experiment_dir: Path to experiment directory (e.g., baselines_080126/_...) + + Returns: + Dict with 'systems' list and 'summary' dict containing aggregated metrics. + """ + summary_file = experiment_dir / "overall_summary" / "summary.json" + if summary_file.exists(): + with open(summary_file) as f: + return json.load(f) + return None + + +def load_baseline_per_system_summary(experiment_dir: Path) -> pd.DataFrame | None: + """ + Load overall_summary/per_system_summary.csv from a baseline experiment directory. + + Args: + experiment_dir: Path to experiment directory + + Returns: + DataFrame with per-system metrics breakdown. + """ + csv_file = experiment_dir / "overall_summary" / "per_system_summary.csv" + if csv_file.exists(): + return pd.read_csv(csv_file) + return None + + +def load_experiment_metadata(experiment_dir: Path) -> dict[str, Any] | None: + """ + Load experiment_metadata.json from a baseline experiment directory. + + Args: + experiment_dir: Path to experiment directory + + Returns: + Dict with experiment configuration (agent_config, systems_file, budget, etc.) + """ + metadata_file = experiment_dir / "experiment_metadata.json" + if metadata_file.exists(): + with open(metadata_file) as f: + return json.load(f) + return None + + +def load_experiment_progress(experiment_dir: Path) -> dict[str, Any] | None: + """ + Load progress.json from a baseline experiment directory. + + Args: + experiment_dir: Path to experiment directory + + Returns: + Dict with status, completed_systems, total_systems, progress_percent. + """ + progress_file = experiment_dir / "progress.json" + if progress_file.exists(): + with open(progress_file) as f: + return json.load(f) + return None + + +# ============================================================================ +# Metrics Computation +# ============================================================================ + +def compute_discovery_curve_metrics( + metrics_histories: list[list[dict]], + baseline_histories: list[list[dict]] | None = None, + budget: int | None = None, +) -> dict[str, dict[str, float]]: + """ + Compute discovery curve metrics (AF, EF, AUDC) from metrics histories. + + Args: + metrics_histories: List of metrics_history lists (one per episode) + baseline_histories: Optional baseline for AF/EF computation + budget: Total query budget (auto-detected if None) + + Returns: + Dict with mean/std for each metric + """ + if not metrics_histories: + return {} + + # Extract discovery curves (queries_used, num_discoveries) + curves = [] + for history in metrics_histories: + queries = [h.get("queries_used", i+1) for i, h in enumerate(history)] + discoveries = [h.get("num_newly_discovered_stable", 0) for h in history] + curves.append((queries, discoveries)) + + if budget is None: + budget = max(max(q) for q, _ in curves) + + # Compute metrics for each episode + audc_values = [] + for queries, discoveries in curves: + audc = DiscoveryCurveMetrics.area_under_discovery_curve( + queries, discoveries, budget + ) + audc_values.append(audc) + + n = len(audc_values) + results = { + "area_under_discovery_curve": { + "mean": float(np.mean(audc_values)), + "std": float(np.std(audc_values)), + "sem": float(np.std(audc_values) / np.sqrt(n)) if n > 0 else 0.0, + }, + "area_under_discovery_curve_normalized": { + "mean": float(np.mean(audc_values)) / budget, + "std": float(np.std(audc_values)) / budget, + "sem": float(np.std(audc_values) / np.sqrt(n) / budget) if n > 0 else 0.0, + }, + } + + # Compute AF/EF if baseline provided + if baseline_histories: + baseline_curves = [] + for history in baseline_histories: + queries = [h.get("queries_used", i+1) for i, h in enumerate(history)] + discoveries = [h.get("num_newly_discovered_stable", 0) for h in history] + baseline_curves.append((queries, discoveries)) + + # Average baseline curve + baseline_discoveries = np.mean([d for _, d in baseline_curves], axis=0) + + af_values = [] + ef_values = [] + for queries, discoveries in curves: + af = DiscoveryCurveMetrics.acceleration_factor( + queries, discoveries, list(range(1, len(baseline_discoveries)+1)), + list(baseline_discoveries), k=max(discoveries) // 2 or 1 + ) + ef = DiscoveryCurveMetrics.enhancement_factor( + queries, discoveries, list(range(1, len(baseline_discoveries)+1)), + list(baseline_discoveries), t=budget // 2 + ) + af_values.append(af) + ef_values.append(ef) + + n_af = len(af_values) + results["acceleration_factor"] = { + "mean": float(np.mean(af_values)), + "std": float(np.std(af_values)), + "sem": float(np.std(af_values) / np.sqrt(n_af)) if n_af > 0 else 0.0, + } + results["enhancement_factor"] = { + "mean": float(np.mean(ef_values)), + "std": float(np.std(ef_values)), + "sem": float(np.std(ef_values) / np.sqrt(n_af)) if n_af > 0 else 0.0, + } + + return results + + +# ============================================================================ +# Visualization Functions +# ============================================================================ + +def plot_discovery_curves( + metrics_histories: list[list[dict]], + label: str = "Agent", + ax: plt.Axes | None = None, + color: str | None = None, + show_error: bool = True, +) -> plt.Axes: + """ + Plot discovery curves with mean and standard error. + + Args: + metrics_histories: List of metrics_history lists (one per episode) + label: Legend label + ax: Matplotlib axes (creates new figure if None) + color: Line color + show_error: Show standard error band + + Returns: + Matplotlib axes + """ + if ax is None: + _, ax = plt.subplots(figsize=(8, 6)) + + if not metrics_histories: + return ax + + # Extract curves + max_len = max(len(h) for h in metrics_histories) + n_episodes = len(metrics_histories) + curves = np.full((n_episodes, max_len), np.nan) + + for i, history in enumerate(metrics_histories): + discoveries = [h.get("num_newly_discovered_stable", 0) for h in history] + curves[i, :len(discoveries)] = discoveries + + # Compute mean and SEM + mean_curve = np.nanmean(curves, axis=0) + sem_curve = np.nanstd(curves, axis=0) / np.sqrt(n_episodes) + queries = np.arange(1, max_len + 1) + + # Plot + line, = ax.plot(queries, mean_curve, label=label, color=color) + if show_error: + ax.fill_between( + queries, + mean_curve - sem_curve, + mean_curve + sem_curve, + alpha=0.2, + color=line.get_color(), + ) + + ax.set_xlabel("Oracle Queries") + ax.set_ylabel("Stable Discoveries") + ax.legend() + ax.grid(True, alpha=0.3) + + return ax + + +def plot_final_metrics_comparison( + final_metrics_list: list[dict[str, Any]], + metrics: list[str] | None = None, + ax: plt.Axes | None = None, +) -> plt.Axes: + """ + Plot bar chart comparing final metrics across episodes. + + Args: + final_metrics_list: List of final_metrics dicts (one per episode) + metrics: List of metric names to plot (default: common metrics) + ax: Matplotlib axes + + Returns: + Matplotlib axes + """ + if not final_metrics_list: + return ax + + if metrics is None: + metrics = [ + "novelty_stable_unique_novel_count", + "discovery_curve_area_under_discovery_curve_normalized", + "acceleration_factor", + "enhancement_factor", + ] + + df = pd.DataFrame(final_metrics_list) + available_metrics = [m for m in metrics if m in df.columns] + + if not available_metrics: + return ax + + if ax is None: + _, ax = plt.subplots(figsize=(10, 6)) + + means = df[available_metrics].mean() + sems = df[available_metrics].sem() # Standard error of the mean + + x = np.arange(len(available_metrics)) + ax.bar(x, means, yerr=sems, capsize=5, alpha=0.7) + ax.set_xticks(x) + ax.set_xticklabels([METRIC_LABELS.get(m, m) for m in available_metrics], rotation=45, ha="right") + ax.set_ylabel("Value") + ax.grid(True, alpha=0.3, axis="y") + + plt.tight_layout() + return ax + + +def results_to_dataframe( + final_metrics_by_system: dict[str, list[dict]], + strategy_name: str | None = None, +) -> pd.DataFrame: + """ + Convert final metrics to a pandas DataFrame for analysis. + + Args: + final_metrics_by_system: Dict mapping system_id -> list of final_metrics dicts + strategy_name: Optional strategy name to add as column + + Returns: + DataFrame with one row per (system, episode) + """ + rows = [] + for system_id, metrics_list in final_metrics_by_system.items(): + for ep_idx, metrics in enumerate(metrics_list): + row = {"system": system_id, "episode": ep_idx} + if strategy_name: + row["strategy"] = strategy_name + row.update(metrics) + rows.append(row) + + return pd.DataFrame(rows) diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..527f5fd --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,97 @@ +[project] +name = "made" +authors = [ + { name="Shreshth Malik", email="shreshth@diffractive.ai" } +] +version = "0.1.0" +description = "Benchmark environments for closed-loop materials discovery" +readme = "README.md" +requires-python = ">=3.12" +dependencies = [ + "ase>=3.25.0", + "ase-ga>=0.2.0", + "average-minimum-distance>=1.6.0", + "chemeleon-dng @ git+https://github.com/hspark1212/chemeleon-dng.git", + "dspy>=3.0.3", + "hydra-core>=1.3.1", + "kaleido>=1.0.0", + "mace-torch>=0.3.14", + "modal>=1.1.1", + "mp-api>=0.45.8", + "orb-models>=0.5.4", + "pydantic>=2.0.0", + "pymatgen>=2025.6.14", + "scipy>=1.16.1", + "smact>=3.2.0", + "wandb>=0.21.1", +] + +[build-system] +requires = ["setuptools>=61.0", "wheel"] +build-backend = "setuptools.build_meta" + +[tool.setuptools.packages.find] +where = ["src"] + +[tool.setuptools.package-dir] +"" = "src" + +[dependency-groups] +dev = [ + "ruff>=0.7.0", + "black>=24.0.0", + "isort>=5.13.0", + "pytest>=8.0.0", + "pytest-cov>=5.0.0", + "pytest-asyncio>=0.24.0", + "jupyter>=1.1.1", + "seaborn>=0.13.2", +] + +[tool.ruff] +line-length = 88 +target-version = "py312" + + +[tool.ruff.lint] +select = ["E", "W", "F", "I", "N", "B", "UP", "C4", "SIM", "PIE"] +ignore = ["E501"] + +[tool.ruff.format] +quote-style = "double" +indent-style = "space" +skip-magic-trailing-comma = false +line-ending = "auto" + +[tool.black] +line-length = 88 +target-version = ["py312"] +include = '\\.pyi?$' + +[tool.isort] +profile = "black" +multi_line_output = 3 +line_length = 88 +known_first_party = ["made"] + +[tool.pytest.ini_options] +testpaths = ["tests", "src"] +python_files = ["test_*.py", "*_test.py"] +python_classes = ["Test*"] +python_functions = ["test_*"] +addopts = "--cov=src --cov-report=html --cov-report=term-missing --cov-report=xml" + +[tool.coverage.run] +source = ["src"] +omit = [ + "*/tests/*", + "*/test_*", +] + +[tool.coverage.report] +exclude_lines = [ + "pragma: no cover", + "def __repr__", + "raise AssertionError", + "raise NotImplementedError", +] diff --git a/scripts/generate_systems.py b/scripts/generate_systems.py new file mode 100644 index 0000000..98d4fb9 --- /dev/null +++ b/scripts/generate_systems.py @@ -0,0 +1,445 @@ +""" +Generate lists of chemical systems (binary, ternary, quaternary) from Materials Project. + +Outputs JSON files containing lists of element lists, e.g., [[Co, Nb], [Li, O], ...]. +Filters systems to those with at least a minimum number of stable structures (per size). +To reproduce +""" + +import itertools +import json +import logging +import os +import random +from pathlib import Path + +import dotenv +import fire +from ase.data import atomic_numbers, chemical_symbols +from mp_api.client import MPRester + +from made.evaluation.metrics import is_smact_valid + +logger = logging.getLogger(__name__) + +# Default excluded elements: radioactive elements and noble gases +DEFAULT_EXCLUDED_ELEMENTS = { + # Radioactive elements (all isotopes are radioactive) + "Tc", # Technetium (43) + "Pm", # Promethium (61) + "Po", # Polonium (84) + # Noble gas elements + "He", # Helium + "Ne", # Neon + "Ar", # Argon + "Kr", # Krypton + "Xe", # Xenon + "Rn", # Radon + # problematic elements + "Yb", +} + +# Metallic elements (including alkali, alkaline earth, transition, post-transition, lanthanides, actinides) +METAL_ELEMENTS = { + # Alkali metals + "Li", "Na", "K", "Rb", "Cs", "Fr", + # Alkaline earth metals + "Be", "Mg", "Ca", "Sr", "Ba", "Ra", + # Transition metals + "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", + "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", + "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", + "Rf", "Db", "Sg", "Bh", "Hs", + # Post-transition metals + "Al", "Ga", "In", "Sn", "Tl", "Pb", "Bi", + # Lanthanides + "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", + # Actinides + "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", +} + + +def get_all_elements_from_ase( + max_atomic_number: int = 84, + excluded_elements: set[str] | None = None, +) -> list[str]: + """Return list of element symbols from ASE periodic table. + + Filters out: + - The placeholder 'X' and any non-standard entries + - Elements with atomic numbers > max_atomic_number + - Excluded elements (default: radioactive elements and noble gases) + + Args: + max_atomic_number: Maximum atomic number to include (default: 84) + excluded_elements: Set of element symbols to exclude. + If None, uses DEFAULT_EXCLUDED_ELEMENTS (Tc, Pm, Po, He, Ne, Ar, Kr, Xe, Rn). + + Returns: + List of filtered element symbols. + """ + if excluded_elements is None: + excluded_elements = DEFAULT_EXCLUDED_ELEMENTS + + elems = [sym for sym in chemical_symbols if sym and sym != "X"] + # Filter to valid element symbols + valid_elems = [e for e in elems if e.isalpha() and e[0].isupper()] + + # Filter out elements with atomic numbers > max_atomic_number and excluded elements + filtered = [] + for elem in valid_elems: + if elem in atomic_numbers: + z = atomic_numbers[elem] + if z <= max_atomic_number and elem not in excluded_elements: + filtered.append(elem) + + return filtered + + +def is_binary_metal_oxide(system: list[str]) -> bool: + """Check if a binary system is a metal oxide (one metal + oxygen). + + Args: + system: List of element symbols + + Returns: + True if the system is a binary metal oxide, False otherwise + """ + if len(system) != 2: + return False + + # Check if one element is O and the other is a metal + has_oxygen = "O" in system + if not has_oxygen: + return False + + other_elem = [e for e in system if e != "O"][0] + return other_elem in METAL_ELEMENTS + + +def is_intermetallic(system: list[str]) -> bool: + """Check if a system is intermetallic (all elements are metals). + + Args: + system: List of element symbols + + Returns: + True if all elements are metals, False otherwise + """ + return all(elem in METAL_ELEMENTS for elem in system) + + +def generate_systems( + elements: list[str], + size: int, + shuffle: bool = True, + seed: int = 123, + only_binary_metal_oxides: bool = False, + only_intermetallics: bool = False, +) -> list[list[str]]: + """Generate chemical systems of a given size. + + Args: + elements: List of element symbols to use + size: Size of the chemical system (2 for binary, 3 for ternary, etc.) + shuffle: Whether to shuffle the systems + seed: Random seed for shuffling (ensures reproducibility) + only_binary_metal_oxides: If True and size==2, only include metal oxide systems + only_intermetallics: If True, only include intermetallic systems (all metals) + + Returns: + List of chemical systems (each system is a list of element symbols) + """ + systems = [list(comb) for comb in itertools.combinations(sorted(elements), size)] + + # Apply filters if requested + if only_binary_metal_oxides and size == 2: + systems = [sys for sys in systems if is_binary_metal_oxide(sys)] + + if only_intermetallics: + systems = [sys for sys in systems if is_intermetallic(sys)] + + # Shuffle using a seeded random generator for reproducibility + if shuffle: + rng = random.Random(seed) + rng.shuffle(systems) + + return systems + + +def count_stable_entries_for_system( + elements: list[str], + mpr: MPRester, + thermo_types: list[str] | None = None, + max_atoms_per_unit_cell: int | None = None, + energy_above_hull_threshold: float | None = None, + filter_by_smact: bool = False, +) -> int: + """Return number of stable entries for the given chemical system according to MP Summary API. + + Uses mpr.summary.search() with num_sites and energy_above_hull filtering for efficient API-level filtering when possible. + Falls back to get_entries_in_chemsys() when thermo_types filtering is needed. + Reference: https://github.com/hspark1212/chemeleon/blob/main/data/mp-40/data_preparation.ipynb + + Args: + elements: List of element symbols in the chemical system + mpr: MPRester instance + thermo_types: List of thermo types to filter by. If specified, uses get_entries_in_chemsys() + instead of summary.search() since thermo_types filtering is not directly supported. + max_atoms_per_unit_cell: Maximum number of atoms per unit cell to include. + If None, no filtering by atom count is applied. + energy_above_hull_threshold: Maximum energy above hull (eV/atom) to include. + If None, no filtering by energy above hull is applied. + filter_by_smact: If True, filter entries by SMACT validity. + + Returns: + Number of stable entries matching the criteria. + """ + try: + # If thermo_types is specified, use get_entries_in_chemsys() which supports it + # Note: entries with is_stable=True have e_above_hull <= 0, so energy_above_hull_threshold + # filtering is not directly supported with thermo_types filtering + if thermo_types is not None: + entries = mpr.get_entries_in_chemsys( + elements=elements, + additional_criteria={"thermo_types": thermo_types, "is_stable": True}, + ) + + filtered_entries = [] + for entry in entries: + # Filter by number of atoms in unit cell if specified + if max_atoms_per_unit_cell is not None: + if hasattr(entry, "structure") and entry.structure is not None: + num_atoms = len(entry.structure) + if num_atoms > max_atoms_per_unit_cell: + continue + else: + continue + + # Filter by SMACT validity if specified + if filter_by_smact: + if hasattr(entry, "structure") and entry.structure is not None: + if not is_smact_valid(entry.structure): + continue + else: + continue + + filtered_entries.append(entry) + + return len(filtered_entries) + + # Otherwise, use summary.search() for efficient API-level filtering + search_criteria = { + "elements": elements, + } + + # If energy_above_hull_threshold is specified, use it to filter + # Otherwise, use is_stable=True to get only stable entries + if energy_above_hull_threshold is not None: + search_criteria["energy_above_hull"] = [0, energy_above_hull_threshold] + else: + search_criteria["is_stable"] = True + + # Add num_sites filter if specified (more efficient than filtering in Python) + if max_atoms_per_unit_cell is not None: + search_criteria["num_sites"] = [0, max_atoms_per_unit_cell] + + # Use summary.search() for efficient API-level filtering + # If SMACT filtering is needed, we need structure data, so fetch it + fields = ["material_id", "structure"] if filter_by_smact else ["material_id"] + docs = mpr.summary.search( + **search_criteria, + fields=fields, + ) + + # If SMACT filtering is needed, check each document + if filter_by_smact: + count = 0 + for doc in docs: + if hasattr(doc, "structure") and doc.structure is not None: + if is_smact_valid(doc.structure): + count += 1 + return count + else: + # Count the results (docs is a generator/iterator) + count = sum(1 for _ in docs) + return count + except Exception as e: + logger.warning(f"Error counting entries for {elements}: {e}") + return 0 + + +def filter_systems_by_min_stable( + systems: list[list[str]], + min_stable: int, + mpr: MPRester, + thermo_types: list[str] | None = None, + max_entries: int | None = None, + max_atoms_per_unit_cell: int | None = None, + energy_above_hull_threshold: float | None = None, + filter_by_smact: bool = False, +) -> list[list[str]]: + kept: list[list[str]] = [] + for sys in systems: + cnt = count_stable_entries_for_system( + sys, + mpr, + thermo_types=thermo_types, + max_atoms_per_unit_cell=max_atoms_per_unit_cell, + energy_above_hull_threshold=energy_above_hull_threshold, + filter_by_smact=filter_by_smact, + ) + logger.info(f"Found {cnt} stable entries for {sys}") + if cnt >= int(min_stable): + kept.append(sys) + if max_entries is not None and len(kept) >= int(max_entries): + break + return kept + + +def main( + output_dir: str = "./data/systems", + elements: list[str] | None = None, + exclude_elements: list[str] | None = None, + min_stable: int = 2, + thermo_types: list[str] | None = None, + max_systems_per_size: int = 10, + seed: int = 123, + max_atomic_number: int = 84, + excluded_elements: list[str] | None = None, + max_atoms_per_unit_cell: int = 20, + filter_by_smact: bool = False, + energy_above_hull_threshold: float = 0.1, + only_binary_metal_oxides: bool = False, + only_intermetallics: bool = False, + system_sizes: list[int] | None = None, + log_level: str = "INFO", +) -> None: + """Generate chemical systems with stability filtering from Materials Project. + + Args: + output_dir: Directory to save output JSON files (default: ./data/systems) + elements: List of element symbols to include (default: all up to max_atomic_number) + exclude_elements: List of element symbols to exclude + min_stable: Minimum number of stable structures required for each system (default: 4) + thermo_types: MP thermo_types filter (default: ['GGA_GGA+U']) + max_systems_per_size: Cap on number of systems per size (default: 20) + seed: Random seed for shuffling systems (default: 123) + max_atomic_number: Maximum atomic number to include (default: 84) + excluded_elements: Element symbols to exclude (default: Tc, Pm, Po, He, Ne, Ar, Kr, Xe, Rn) + max_atoms_per_unit_cell: Maximum atoms per unit cell (default: 20) + filter_by_smact: Filter entries by SMACT validity (default: False) + energy_above_hull_threshold: Maximum energy above hull in eV/atom (default: 0.1) + only_binary_metal_oxides: Only generate binary metal oxide systems (default: False) + only_intermetallics: Only generate intermetallic systems (default: False) + system_sizes: Sizes of systems to generate, e.g., [2, 3, 4] (default: [2, 3, 4]) + log_level: Logging level (default: INFO) + """ + # Setup logging + logging.basicConfig(level=getattr(logging, log_level.upper(), logging.INFO)) + + dotenv.load_dotenv() + api_key = os.environ.get("MATERIALS_PROJECT_API_KEY") + if not api_key: + raise RuntimeError("Set MATERIALS_PROJECT_API_KEY env var") + + output_path = Path(output_dir) + output_path.mkdir(parents=True, exist_ok=True) + random.seed(seed) + + # Convert excluded_elements list to set if provided + excluded_elements_set = set(excluded_elements) if excluded_elements else None + + # Default thermo_types + if thermo_types is None: + thermo_types = ["GGA_GGA+U"] + + # Default to generating binaries, ternaries, and quaternaries if not specified + if system_sizes is None: + system_sizes = [2, 3, 4] + + # Mapping from size to name for output files + size_names = { + 1: "unary", + 2: "binary", + 3: "ternary", + 4: "quaternary", + 5: "quinary", + 6: "senary", + 7: "septenary", + 8: "octonary", + } + + with MPRester(api_key) as mpr: + all_elems = ( + get_all_elements_from_ase( + max_atomic_number=max_atomic_number, + excluded_elements=excluded_elements_set, + ) + if elements is None + else elements + ) + if exclude_elements is not None: + all_elems = [e for e in all_elems if e not in exclude_elements] + + # Generate and process systems for each requested size + for size in system_sizes: + # Get the name for this size + size_name = size_names.get(size, f"{size}-component") + + # Use a deterministic seed for each size (combine main seed with size) + # This ensures reproducibility while giving different shuffles per size + size_seed = int(seed) + size + + # Generate systems of this size + systems = generate_systems( + all_elems, + size, + shuffle=True, + seed=size_seed, + only_binary_metal_oxides=only_binary_metal_oxides if size == 2 else False, + only_intermetallics=only_intermetallics, + ) + logger.info(f"Generated {len(systems)} {size_name} systems") + + # Keep only systems with sufficient number of stable structures + filtered_systems = filter_systems_by_min_stable( + systems, + min_stable, + mpr, + thermo_types=thermo_types, + max_entries=max_systems_per_size, + max_atoms_per_unit_cell=max_atoms_per_unit_cell, + energy_above_hull_threshold=energy_above_hull_threshold, + filter_by_smact=filter_by_smact, + ) + + # Build filename with metadata + filename_parts = [f"systems_{size_name}"] + + # Add number of systems + filename_parts.append(f"n{len(filtered_systems)}") + + # Add max atoms per unit cell if specified + if max_atoms_per_unit_cell is not None: + filename_parts.append(f"maxatoms{max_atoms_per_unit_cell}") + + # Add filter flags + if only_binary_metal_oxides and size == 2: + filename_parts.append("metaloxides") + if only_intermetallics: + filename_parts.append("intermetallic") + if filter_by_smact: + filename_parts.append("smact") + + filename = "_".join(filename_parts) + ".json" + output_file = output_path / filename + + # Write to file + with open(output_file, "w") as f: + json.dump(filtered_systems, f, indent=2) + logger.info(f"Wrote {len(filtered_systems)} {size_name} systems to {output_file}") + + +if __name__ == "__main__": + fire.Fire(main) diff --git a/scripts/run_baseline_experiments.py b/scripts/run_baseline_experiments.py new file mode 100644 index 0000000..1989079 --- /dev/null +++ b/scripts/run_baseline_experiments.py @@ -0,0 +1,479 @@ +""" +Baseline experiment runner script. + +Runs experiments for multiple agent configs across multiple datasets. +Supports running experiments sequentially or in parallel, with error handling. +""" + +import argparse +import json +import logging +import subprocess +import sys +from datetime import datetime +from pathlib import Path + +import dotenv + +logger = logging.getLogger(__name__) + + +def save_progress( + output_dir: Path, + completed_systems: list[str], + total_systems: int, + status: str = "in_progress", +) -> None: + """Save progress tracking file.""" + progress_file = output_dir / "progress.json" + progress = { + "status": status, + "completed_systems": completed_systems, + "total_systems": total_systems, + "progress_percent": len(completed_systems) / total_systems * 100 if total_systems > 0 else 0.0, + "timestamp": datetime.now().isoformat(), + } + with open(progress_file, "w") as f: + json.dump(progress, f, indent=2) + + +def get_completed_systems(output_dir: Path) -> list[str]: + """Get list of systems that have completed (have summary.json).""" + systems_dir = output_dir / "systems" + if not systems_dir.exists(): + return [] + + completed = [] + for system_dir in systems_dir.iterdir(): + if system_dir.is_dir(): + summary_file = system_dir / "summary" / "summary.json" + if summary_file.exists(): + completed.append(system_dir.name) + return completed + + +def run_single_baseline_experiment( + agent_config: str, + systems_file: str, + max_systems: int = 20, + budget: int = 50, + num_episodes: int = 1, + infra: str = "local", + output_base_dir: str = "./results/baselines", + seed: int | None = None, + max_stoichiometry: int = 20, + stability_tolerance: float = 0.1, + use_wandb: bool = False, + wandb_project: str = "made-baselines", + wandb_tags: list[str] | None = None, + resume: bool = True, +) -> Path: + """ + Run a single baseline experiment. + + Args: + agent_config: Name of agent config (e.g., "generative_baseline") + systems_file: Path to systems JSON file + max_systems: Number of systems to run (default: 20) + budget: Queries per system (default: 50) + num_episodes: Episodes per system (default: 1) + infra: "local" or "modal" + output_base_dir: Base directory for results + seed: Random seed for reproducibility + use_wandb: Whether to use wandb logging + wandb_project: Wandb project name + wandb_tags: List of wandb tags + + Returns: + Path to output directory + """ + # Create output directory (timestamp is already in output_base_dir) + output_dir = Path(output_base_dir) / f"{agent_config}_{Path(systems_file).stem}_{max_systems}systems_{budget}queries_{int(stability_tolerance * 1000)}stabilitymeV" + output_dir.mkdir(parents=True, exist_ok=True) + + logger.info(f"Running experiment: {agent_config}") + logger.info(f" Systems file: {systems_file}") + logger.info(f" Max systems: {max_systems}") + logger.info(f" Budget: {budget}") + logger.info(f" Stability tolerance: {stability_tolerance}") + logger.info(f" Output dir: {output_dir}") + + # Create a temporary config file for this experiment + # We'll use Hydra's programmatic API to override config + config_overrides = [ + f"agent={agent_config}", + f"experiment.systems_file={systems_file}", + f"experiment.max_systems={max_systems}", + f"environment.budget={budget}", + f"experiment.num_episodes={num_episodes}", + f"experiment.infra={infra}", + f"experiment.output_dir={output_dir}", + f"logger.use_wandb={use_wandb}", + f"logger.wandb_project={wandb_project}", + # stability tolerance and max stoichiometry overrides + f"environment.stability_tolerance={stability_tolerance}", + f"++agent.max_stoichiometry={max_stoichiometry}", + f"++agent.planner.max_stoichiometry={max_stoichiometry}", + f"environment.max_stoichiometry={max_stoichiometry}", + ] + + if seed is not None: + config_overrides.append(f"experiment.seed={seed}") + + if wandb_tags: + tags_str = ",".join(wandb_tags) + config_overrides.append(f"logger.wandb_tags=[{tags_str}]") + + # Save experiment metadata + metadata = { + "agent_config": agent_config, + "systems_file": str(systems_file), + "max_systems": max_systems, + "budget": budget, + "num_episodes": num_episodes, + "infra": infra, + "seed": seed, + "max_stoichiometry": max_stoichiometry, + "config_overrides": config_overrides, + } + with open(output_dir / "experiment_metadata.json", "w") as f: + json.dump(metadata, f, indent=2) + + # Check for existing progress + completed_systems = [] + if resume: + completed_systems = get_completed_systems(output_dir) + if completed_systems: + logger.info(f"Found {len(completed_systems)} completed systems, will resume from existing results") + + # Initialize progress tracking + save_progress(output_dir, completed_systems, max_systems, status="starting") + + # Run the experiment using run_multi_systems via subprocess + # Since run_multi_systems is a Hydra main, we call it via command line + # Note: run_multi_systems already saves results incrementally per system + try: + script_path = Path(__file__).parent / "run_multi_systems.py" + cmd = [ + sys.executable, + str(script_path), + ] + config_overrides + + logger.info(f"Running command: {' '.join(cmd)}") + + # Start subprocess and monitor progress + process = subprocess.Popen( + cmd, + cwd=Path(__file__).parent.parent, + stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, + text=True, + bufsize=1, + ) + + # Monitor output and update progress + last_completed_count = len(completed_systems) + last_progress_update = datetime.now() + for line in process.stdout: + print(line, end='') # Print to console + # Check for completed systems periodically (every 30 seconds or on system completion) + current_time = datetime.now() + time_since_update = (current_time - last_progress_update).total_seconds() + if "Running system" in line or time_since_update > 30: + current_completed = get_completed_systems(output_dir) + if len(current_completed) > last_completed_count or time_since_update > 30: + last_completed_count = len(current_completed) + last_progress_update = current_time + save_progress(output_dir, current_completed, max_systems, status="in_progress") + logger.info(f"Progress: {len(current_completed)}/{max_systems} systems completed") + + # Wait for process to complete + return_code = process.wait() + + if return_code != 0: + raise subprocess.CalledProcessError(return_code, cmd) + + # Final progress update + final_completed = get_completed_systems(output_dir) + save_progress(output_dir, final_completed, max_systems, status="completed") + logger.info(f"Experiment completed: {len(final_completed)}/{max_systems} systems finished") + + except KeyboardInterrupt: + # Handle keyboard interrupt gracefully + logger.warning("Experiment interrupted by user") + current_completed = get_completed_systems(output_dir) + save_progress(output_dir, current_completed, max_systems, status="interrupted") + logger.info(f"Saved progress: {len(current_completed)}/{max_systems} systems completed") + raise + except subprocess.CalledProcessError as e: + logger.error(f"Error running experiment {agent_config}: {e}", exc_info=True) + # Save current progress even on error + current_completed = get_completed_systems(output_dir) + save_progress(output_dir, current_completed, max_systems, status="failed") + # Save error info + with open(output_dir / "error.log", "w") as f: + f.write(f"Error: {str(e)}\n") + import traceback + f.write(traceback.format_exc()) + logger.info(f"Saved partial results: {len(current_completed)}/{max_systems} systems completed") + raise + except Exception as e: + logger.error(f"Error running experiment {agent_config}: {e}", exc_info=True) + # Save current progress even on error + current_completed = get_completed_systems(output_dir) + save_progress(output_dir, current_completed, max_systems, status="failed") + # Save error info + with open(output_dir / "error.log", "w") as f: + f.write(f"Error: {str(e)}\n") + import traceback + f.write(traceback.format_exc()) + logger.info(f"Saved partial results: {len(current_completed)}/{max_systems} systems completed") + raise + + logger.info(f"Completed experiment: {agent_config}") + return output_dir + + +def run_multiple_baseline_experiments( + agent_configs: list[str], + systems_files: list[str] | None = None, + max_systems: int = 10, + budget: int = 50, + num_episodes: int = 5, + infra: str = "local", + output_base_dir: str = "./results/baselines", + seed: int | None = None, + max_stoichiometry: int = 20, + stability_tolerance: float = 0.1, + use_wandb: bool = False, + wandb_project: str = "made-baselines", + wandb_tags: list[str] | None = None, + continue_on_error: bool = True, + resume: bool = True, +) -> dict[str, Path | None]: + """ + Run multiple baseline experiments. + + Args: + agent_configs: List of agent config names + systems_files: List of systems files (if None, uses default from config) + max_systems: Number of systems per experiment + budget: Queries per system + num_episodes: Episodes per system + infra: "local" or "modal" + output_base_dir: Base directory for results + seed: Random seed + use_wandb: Whether to use wandb + wandb_project: Wandb project name + wandb_tags: List of wandb tags + continue_on_error: If True, continue with remaining experiments on error + + Returns: + Dictionary mapping agent_config -> output_dir (or None if failed) + """ + results: dict[str, Path | None] = {} + + for agent_config in agent_configs: + logger.info(f"\n{'='*80}") + logger.info(f"Running experiment: {agent_config}") + logger.info(f"{'='*80}") + + # Use first systems_file if provided, otherwise None (will use config default) + systems_file = systems_files[0] if systems_files else None + + try: + output_dir = run_single_baseline_experiment( + agent_config=agent_config, + systems_file=systems_file or "", # Will use config default if empty + max_systems=max_systems, + budget=budget, + num_episodes=num_episodes, + infra=infra, + output_base_dir=output_base_dir, # Use provided directory (may already be timestamped) + seed=seed, + max_stoichiometry=max_stoichiometry, + stability_tolerance=stability_tolerance, + use_wandb=use_wandb, + wandb_project=wandb_project, + wandb_tags=wandb_tags, + resume=resume, + ) + results[agent_config] = output_dir + except Exception as e: + logger.error(f"Failed to run experiment {agent_config}: {e}") + results[agent_config] = None + if not continue_on_error: + raise + + return results + + +def main(): + """CLI entry point.""" + parser = argparse.ArgumentParser( + description="Run baseline experiments for materials discovery" + ) + parser.add_argument( + "--agent-configs", + nargs="+", + required=True, + help="List of agent config names (e.g., generative_baseline mlip_baseline)", + ) + parser.add_argument( + "--systems-file", + type=str, + help="Path to systems JSON file (default: from config)", + ) + parser.add_argument( + "--max-systems", + type=int, + default=20, + help="Number of systems to run (default: 20)", + ) + parser.add_argument( + "--budget", + type=int, + default=50, + help="Queries per system (default: 50)", + ) + parser.add_argument( + "--num-episodes", + type=int, + default=1, + help="Episodes per system (default: 1)", + ) + parser.add_argument( + "--infra", + type=str, + default="local", + choices=["local", "modal"], + help="Infrastructure to use (default: local)", + ) + parser.add_argument( + "--output-dir", + type=str, + default="./results/baselines", + help="Base output directory (default: ./results/baselines)", + ) + parser.add_argument( + "--seed", + type=int, + default=None, + help="Random seed for reproducibility", + ) + parser.add_argument( + "--max-stoichiometry", + type=int, + default=20, + help="Maximum stoichiometry for planner (default: 20)", + ) + parser.add_argument( + "--stability-tolerance", + type=float, + default=0.1, + help="Stability tolerance in eV (default: 0.1)", + ) + parser.add_argument( + "--use-wandb", + action="store_true", + help="Enable wandb logging", + ) + parser.add_argument( + "--wandb-project", + type=str, + default="made-baselines", + help="Wandb project name", + ) + parser.add_argument( + "--wandb-tags", + nargs="+", + default=None, + help="Wandb tags", + ) + parser.add_argument( + "--stop-on-error", + action="store_true", + help="Stop on first error instead of continuing", + ) + parser.add_argument( + "--resume", + action="store_true", + default=True, + help="Resume from existing results if available (default: True)", + ) + parser.add_argument( + "--no-resume", + dest="resume", + action="store_false", + help="Do not resume from existing results", + ) + + args = parser.parse_args() + + # Configure logging + logging.basicConfig( + level=logging.INFO, + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + ) + + dotenv.load_dotenv() + + # Create timestamped base directory for this run + timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") + timestamped_output_dir = f"{args.output_dir}/{timestamp}" + Path(timestamped_output_dir).mkdir(parents=True, exist_ok=True) + + logger.info(f"Created timestamped output directory: {timestamped_output_dir}") + + # Run experiments with timestamped directory + results = run_multiple_baseline_experiments( + agent_configs=args.agent_configs, + systems_files=[args.systems_file] if args.systems_file else None, + max_systems=args.max_systems, + budget=args.budget, + num_episodes=args.num_episodes, + infra=args.infra, + output_base_dir=timestamped_output_dir, # Use timestamped directory + seed=args.seed, + max_stoichiometry=args.max_stoichiometry, + stability_tolerance=args.stability_tolerance, + use_wandb=args.use_wandb, + wandb_project=args.wandb_project, + wandb_tags=args.wandb_tags, + continue_on_error=not args.stop_on_error, + resume=args.resume, + ) + + # Print summary + logger.info("\n" + "="*80) + logger.info("Experiment Summary") + logger.info("="*80) + for agent_config, output_dir in results.items(): + status = "SUCCESS" if output_dir else "FAILED" + logger.info(f" {agent_config}: {status}") + if output_dir: + logger.info(f" Output: {output_dir}") + # Check progress if available + progress_file = output_dir / "progress.json" + if progress_file.exists(): + with open(progress_file) as f: + progress = json.load(f) + logger.info(f" Progress: {progress.get('status', 'unknown')} - {len(progress.get('completed_systems', []))}/{progress.get('total_systems', 0)} systems") + + # Save summary + summary_file = Path(timestamped_output_dir) / "experiments_summary.json" + summary_file.parent.mkdir(parents=True, exist_ok=True) + summary = { + "results": { + k: str(v) if v else None for k, v in results.items() + }, + "args": vars(args), + } + with open(summary_file, "w") as f: + json.dump(summary, f, indent=2) + logger.info(f"\nSummary saved to: {summary_file}") + + +if __name__ == "__main__": + main() diff --git a/scripts/run_baseline_experiments_modal.py b/scripts/run_baseline_experiments_modal.py new file mode 100644 index 0000000..730fdd2 --- /dev/null +++ b/scripts/run_baseline_experiments_modal.py @@ -0,0 +1,533 @@ +""" +Baseline experiment runner script for Modal. + +Runs experiments for multiple agent configs across multiple datasets on Modal. +This allows you to close your laptop while experiments run. + +Run on Modal: + uv run modal run --detach scripts/run_baseline_experiments_modal.py \\ + --agent-configs "generative_baseline mlip_baseline" \\ + --systems-file ./data/systems_binary.json \\ + --max-systems 20 \\ + --budget 50 \\ + --max-stoichiometry 20 + +Results are stored in Modal volume 'baseline-results'. Download with: + modal volume download baseline-results /results/baselines/... +""" + +import json +import logging +from datetime import datetime +from pathlib import Path +from typing import Any + +import dotenv +import modal + +logger = logging.getLogger(__name__) + +# Create Modal image with dependencies +image = ( + modal.Image.debian_slim(python_version="3.12") + .apt_install( + "git", # needed to install packages from GitHub + "wget", + "gnupg", + "ca-certificates", + ) + .run_commands( + # Install Google Chrome for Kaleido (plotly image export) + "wget -q -O - https://dl.google.com/linux/linux_signing_key.pub | gpg --dearmor -o /usr/share/keyrings/google-chrome.gpg", + "echo 'deb [arch=amd64 signed-by=/usr/share/keyrings/google-chrome.gpg] http://dl.google.com/linux/chrome/deb/ stable main' > /etc/apt/sources.list.d/google-chrome.list", + "apt-get update", + "apt-get install -y google-chrome-stable", + ) + .pip_install( + "ase>=3.25.0", + "ase-ga>=0.2.0", + "average-minimum-distance>=1.6.0", + "dspy>=3.0.3", + "hydra-core>=1.3.1", + "kaleido>=1.0.0", + "mace-torch>=0.3.14", + "modal>=1.1.1", + "mp-api>=0.45.8", + "orb-models>=0.5.4", + "pydantic>=2.0.0", + "pymatgen>=2025.6.14", + "scipy>=1.16.1", + "smact>=3.2.0", + "wandb>=0.21.1", + "uv", + ) + .pip_install( + "chemeleon-dng @ git+https://github.com/hspark1212/chemeleon-dng.git" + ) + .run_commands( + "ln -sf /ckpts/chemeleon/ckpts /root/ckpts" + ) + .add_local_dir("./data", "/root/data") + .add_local_dir("./src", "/root/src") + .add_local_dir("./configs", "/root/configs") + .add_local_dir("./scripts", "/root/scripts") + .add_local_python_source("made") +) + +# Create Modal app +app = modal.App("baseline-experiments-runner", image=image) + +# Create a volume for persistent storage of results +results_volume = modal.Volume.from_name("made-benchmark-results", create_if_missing=True) + +# Create a volume for model checkpoints (e.g., Chemeleon) +model_checkpoints_volume = modal.Volume.from_name("matopt-checkpoints", create_if_missing=True) + +# Configure retries for handling timeouts and preemptions +retries = modal.Retries(initial_delay=0.0, max_retries=10) + + +def save_progress( + output_dir: Path, + completed_systems: list[str], + total_systems: int, + status: str = "in_progress", +) -> None: + """Save progress tracking file.""" + progress_file = output_dir / "progress.json" + progress = { + "status": status, + "completed_systems": completed_systems, + "total_systems": total_systems, + "progress_percent": len(completed_systems) / total_systems * 100 if total_systems > 0 else 0.0, + "timestamp": datetime.now().isoformat(), + } + with open(progress_file, "w") as f: + json.dump(progress, f, indent=2) + + +def get_completed_systems(output_dir: Path) -> list[str]: + """Get list of systems that have completed (have summary.json).""" + systems_dir = output_dir / "systems" + if not systems_dir.exists(): + return [] + + completed = [] + for system_dir in systems_dir.iterdir(): + if system_dir.is_dir(): + summary_file = system_dir / "summary" / "summary.json" + if summary_file.exists(): + completed.append(system_dir.name) + return completed + + +def get_remaining_systems( + systems_file: Path, completed_systems: list[str], max_systems: int | None +) -> list[list[str]]: + """ + Get list of systems that still need to be evaluated. + + Args: + systems_file: Path to JSON file containing list of element lists + completed_systems: List of completed system IDs (e.g., ["Co-Nb-Sn", "Li-O"]) + max_systems: Optional maximum number of systems to process + + Returns: + List of remaining systems as element lists (e.g., [["Co", "Nb", "Sn"], ["Li", "O"]]) + """ + # Load all systems from file + with open(systems_file) as f: + all_systems = [list(s) for s in json.load(f)] + + # Apply max_systems limit if specified + if max_systems is not None: + all_systems = all_systems[:max_systems] + + # Convert completed system IDs to element lists for comparison + # Completed systems are stored as "Co-Nb-Sn" format + completed_as_elements = [] + for completed_id in completed_systems: + completed_as_elements.append(completed_id.split("-")) + + # Find remaining systems + remaining = [] + for system in all_systems: + system_id = "-".join(system) + if system_id not in completed_systems: + remaining.append(system) + + return remaining + + +@app.function( + volumes={"/results": results_volume, "/ckpts": model_checkpoints_volume}, + secrets=[ + modal.Secret.from_name("materials-project-api-key"), + modal.Secret.from_name("wandb-api-key"), + modal.Secret.from_name("anthropic-api-key"), + modal.Secret.from_name("openai-api-key"), + ], + timeout=60 * 60 * 24, # 24 hour timeout for long-running experiments + cpu=2, + memory=4096, + max_inputs=1, # Ensures retries kick off in a fresh container + retries=retries, # Handle timeouts and preemptions automatically +) +def run_single_baseline_experiment_modal_wrapper( + args_tuple: tuple, +) -> dict[str, Any]: + """Wrapper function to unpack tuple arguments for spawn_map.""" + ( + agent_config, + systems_file, + max_systems, + budget, + num_episodes, + infra, + output_base_dir, + seed, + use_wandb, + wandb_project, + wandb_tags, + resume, + max_stoichiometry, + stability_tolerance, + ) = args_tuple + return run_single_baseline_experiment_modal( + agent_config=agent_config, + systems_file=systems_file, + max_systems=max_systems, + budget=budget, + num_episodes=num_episodes, + infra=infra, + output_base_dir=output_base_dir, + seed=seed, + use_wandb=use_wandb, + wandb_project=wandb_project, + wandb_tags=wandb_tags, + resume=resume, + max_stoichiometry=max_stoichiometry, + stability_tolerance=stability_tolerance, + ) + + +def run_single_baseline_experiment_modal( + agent_config: str, + systems_file: str, + max_systems: int, + budget: int, + num_episodes: int, + infra: str, + output_base_dir: str, + seed: int | None, + use_wandb: bool, + wandb_project: str, + wandb_tags: list[str] | None, + resume: bool, + max_stoichiometry: int = 20, + stability_tolerance: float = 0.1, +) -> dict[str, Any]: + """ + Run a single baseline experiment on Modal. + + Returns a dict with 'output_dir' (str) and 'success' (bool). + """ + import sys + from pathlib import Path + + import hydra + + # Set up logging + logging.basicConfig( + level=logging.INFO, + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + ) + + # Mount volume path + volume_path = Path("/results") + # output_base_dir already includes timestamp from main() + output_dir = volume_path / output_base_dir.lstrip("./") / f"{agent_config}_{Path(systems_file).stem}_{max_systems}systems_{budget}queries_{int(stability_tolerance * 1000)}stabilitymeV" + output_dir.mkdir(parents=True, exist_ok=True) + + logger.info(f"Running experiment on Modal: {agent_config}") + logger.info(f" Stability tolerance: {stability_tolerance}") + logger.info(f" Output dir: {output_dir}") + + # Convert systems_file path to Modal path if it's a local path + # If it starts with ./data, convert to /root/data + modal_systems_file = systems_file + if systems_file.startswith("./data/"): + modal_systems_file = systems_file.replace("./data/", "/root/data/") + elif systems_file.startswith("data/"): + modal_systems_file = f"/root/{systems_file}" + elif not systems_file.startswith("/"): + # Relative path, assume it's in data directory + modal_systems_file = f"/root/data/{systems_file}" + + # Check for existing progress and determine remaining systems + completed_systems = [] + remaining_systems = None + if resume: + completed_systems = get_completed_systems(output_dir) + if completed_systems: + logger.info(f"Found {len(completed_systems)} completed systems, will resume") + + # Load remaining systems that need to be evaluated + systems_file_path = Path(modal_systems_file) + if systems_file_path.exists(): + remaining_systems = get_remaining_systems( + systems_file_path, completed_systems, max_systems + ) + if remaining_systems: + logger.info(f"Will evaluate {len(remaining_systems)} remaining systems") + else: + logger.info("All systems already completed, nothing to do") + return { + "output_dir": str(output_dir), + "success": True, + "completed_systems": len(completed_systems), + "total_systems": max_systems or len(completed_systems), + } + else: + logger.warning(f"Systems file not found: {systems_file_path}, cannot resume") + + # Build config overrides list for Hydra compose + config_overrides = [ + f"agent={agent_config}", + f"environment.budget={budget}", + f"experiment.num_episodes={num_episodes}", + f"experiment.infra={infra}", + f"experiment.output_dir={output_dir}", + f"logger.use_wandb={use_wandb}", + f"logger.wandb_project={wandb_project}", + # stability tolerance and max stoichiometry overrides + f"environment.stability_tolerance={stability_tolerance}", + f"++agent.max_stoichiometry={max_stoichiometry}", + f"++agent.planner.max_stoichiometry={max_stoichiometry}", + f"environment.max_stoichiometry={max_stoichiometry}", + ] + + + # Handle systems: if resuming with remaining systems, set systems_file=null and systems explicitly + if remaining_systems is not None: + # Convert remaining systems to Hydra format: [[Co,Nb,Sn],[Li,O]] + systems_str = ",".join([f"[{','.join(s)}]" for s in remaining_systems]) + config_overrides.append("experiment.systems_file=null") + config_overrides.append(f"experiment.systems=[{systems_str}]") + config_overrides.append(f"experiment.max_systems={len(remaining_systems)}") + logger.info(f"Resuming with explicit systems: [{systems_str}]") + else: + # Normal case: use systems_file + config_overrides.append(f"experiment.systems_file={modal_systems_file}") + if max_systems is not None: + config_overrides.append(f"experiment.max_systems={max_systems}") + + if seed is not None: + config_overrides.append(f"experiment.seed={seed}") + + + if wandb_tags: + tags_str = ",".join(wandb_tags) + config_overrides.append(f"logger.wandb_tags=[{tags_str}]") + + # Save experiment metadata + metadata = { + "agent_config": agent_config, + "systems_file": str(systems_file), + "max_systems": max_systems, + "budget": budget, + "num_episodes": num_episodes, + "infra": infra, + "seed": seed, + "max_stoichiometry": max_stoichiometry, + "completed_systems": completed_systems, + "remaining_systems": remaining_systems if remaining_systems else None, + "config_overrides": config_overrides, + } + with open(output_dir / "experiment_metadata.json", "w") as f: + json.dump(metadata, f, indent=2) + + # Initialize progress tracking + save_progress(output_dir, completed_systems, max_systems, status="starting") + + # Commit volume before starting + results_volume.commit() + + # Run the experiment by calling run_multi_systems directly with Hydra compose + try: + logger.info(f"Running run_multi_systems with config overrides: {config_overrides}") + + # Set up a custom logging handler to track progress + class ProgressTrackingHandler(logging.Handler): + def __init__(self, output_dir, max_systems, volume): + super().__init__() + self.output_dir = output_dir + self.max_systems = max_systems + self.volume = volume + self.last_completed_count = len(completed_systems) + self.last_progress_update = datetime.now() + + def emit(self, record): + msg = self.format(record) + # Check for completed systems periodically + current_time = datetime.now() + time_since_update = (current_time - self.last_progress_update).total_seconds() + if "Running system" in msg or time_since_update > 30: + current_completed = get_completed_systems(self.output_dir) + if len(current_completed) > self.last_completed_count or time_since_update > 30: + self.last_completed_count = len(current_completed) + self.last_progress_update = current_time + save_progress(self.output_dir, current_completed, self.max_systems, status="in_progress") + self.volume.commit() + logger.info(f"Progress: {len(current_completed)}/{self.max_systems} systems completed") + + # Add progress tracking handler + progress_handler = ProgressTrackingHandler(output_dir, max_systems, results_volume) + progress_handler.setLevel(logging.INFO) + root_logger = logging.getLogger() + root_logger.addHandler(progress_handler) + + try: + # Import run_multi_systems inside the try block to ensure fresh import for each call + # This is important for parallel execution via spawn_map + sys.path.insert(0, "/root/scripts") + from run_multi_systems import run_multi_systems + + # Use Hydra's compose API to create config and call run_multi_systems + # Keep Hydra context active during the call + with hydra.initialize(config_path="./configs", version_base=None): + config = hydra.compose(config_name="config", overrides=config_overrides) + run_multi_systems(config) + finally: + # Remove progress handler + root_logger.removeHandler(progress_handler) + + # Final progress update + final_completed = get_completed_systems(output_dir) + save_progress(output_dir, final_completed, max_systems, status="completed") + results_volume.commit() + logger.info(f"Experiment completed: {len(final_completed)}/{max_systems} systems finished") + + return { + "output_dir": str(output_dir), + "success": True, + "completed_systems": len(final_completed), + "total_systems": max_systems, + } + + except Exception as e: + logger.error(f"Error running experiment {agent_config}: {e}", exc_info=True) + # Save current progress even on error + current_completed = get_completed_systems(output_dir) + save_progress(output_dir, current_completed, max_systems, status="failed") + # Save error info with full traceback + with open(output_dir / "error.log", "w") as f: + f.write(f"Error: {str(e)}\n\n") + import traceback + f.write("=" * 80 + "\n") + f.write("Exception traceback:\n") + f.write("=" * 80 + "\n") + f.write(traceback.format_exc()) + results_volume.commit() + logger.info(f"Saved partial results: {len(current_completed)}/{max_systems} systems completed") + return { + "output_dir": str(output_dir), + "success": False, + "error": str(e), + "completed_systems": len(current_completed), + "total_systems": max_systems, + } + + +@app.local_entrypoint() +def main( + agent_configs: str, + systems_file: str | None = None, + max_systems: int = 10, + budget: int = 50, + num_episodes: int = 5, + infra: str = "modal", + output_dir: str = "./results/baselines", + seed: int | None = None, + max_stoichiometry: int = 20, + stability_tolerance: float = 0.1, + use_wandb: bool = False, + wandb_project: str = "made-baselines", + wandb_tags: str | None = None, + resume: bool = True, + add_timestamp: str = "true", +): + """ + CLI entry point for Modal. + + Usage: + uv run modal run scripts/run_baseline_experiments_modal.py \\ + --agent-configs "generative_baseline mlip_baseline" \\ + --systems-file ./data/systems_binary.json \\ + --max-systems 20 \\ + --budget 50 \\ + --max-stoichiometry 20 \\ + --stability-tolerance 0.1 + """ + # Configure logging + logging.basicConfig( + level=logging.INFO, + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + ) + + dotenv.load_dotenv() + + # Parse agent_configs (space-separated string) + agent_config_list = agent_configs.split() + + # Parse wandb_tags if provided + wandb_tags_list = wandb_tags.split() if wandb_tags else None + + # Parse add_timestamp string to boolean + add_timestamp_bool = add_timestamp.lower() in ("true", "1", "yes", "on") + + # Create timestamped base directory for this run (if enabled) + if add_timestamp_bool: + timestamp = datetime.now().strftime("%Y%m%d-%H%M%S") + final_output_dir = f"{output_dir}/{timestamp}" + else: + final_output_dir = output_dir + + logger.info("Running experiments on Modal") + logger.info(f" Agent configs: {agent_config_list}") + logger.info(f" Systems file: {systems_file}") + logger.info(f" Max systems: {max_systems}") + logger.info(f" Budget: {budget}") + logger.info(f" Max stoichiometry: {max_stoichiometry}") + logger.info(f" Stability tolerance: {stability_tolerance} eV") + logger.info(f" Output dir: {final_output_dir} (stored in Modal volume)") + if add_timestamp_bool: + logger.info(f" Timestamp: {timestamp}") + + # Prepare arguments for all experiments + experiment_args = [] + for agent_config in agent_config_list: + experiment_args.append(( + agent_config, + systems_file or "", # Will use config default if empty + max_systems, + budget, + num_episodes, + infra, + final_output_dir, + seed, + use_wandb, + wandb_project, + wandb_tags_list, + resume, + max_stoichiometry, + stability_tolerance, + )) + + logger.info(f"\n{'='*80}") + logger.info(f"Running {len(experiment_args)} experiments in parallel on Modal") + logger.info(f"{'='*80}") + + run_single_baseline_experiment_modal_wrapper.spawn_map(experiment_args) diff --git a/scripts/run_benchmark.py b/scripts/run_benchmark.py new file mode 100644 index 0000000..1412320 --- /dev/null +++ b/scripts/run_benchmark.py @@ -0,0 +1,635 @@ +""" +Basic benchmark runner. +""" + +import collections +import csv +import json +import logging +import os +import random +from datetime import datetime +from pathlib import Path +from typing import Any + +import dotenv +import hydra +import modal +import numpy as np +import tqdm.auto as tqdm +from hydra.utils import instantiate +from omegaconf import DictConfig, OmegaConf + +import wandb + +logger = logging.getLogger(__name__) + +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram +from pymatgen.core.structure import Structure + +# install requirements and port local code to modal +image = ( + modal.Image.debian_slim(python_version="3.12") + .apt_install("git") # needed to install packages from GitHub + .pip_install( + "ase>=3.25.0", + "ase-ga>=0.2.0", + "average-minimum-distance>=1.6.0", + "dspy>=3.0.3", + "hydra-core>=1.3.1", + "kaleido>=1.0.0", + "mace-torch>=0.3.14", + "modal>=1.1.1", + "mp-api>=0.45.8", + "orb-models>=0.5.4", + "pydantic>=2.0.0", + "pymatgen>=2025.6.14", + "scipy>=1.16.1", + "smact>=3.2.0", + "wandb>=0.21.1", + "uv", + ) + .pip_install( + "chemeleon-dng @ git+https://github.com/hspark1212/chemeleon-dng.git" + ) + .run_commands( + "ln -sf /ckpts/chemeleon/ckpts /root/ckpts" + ) + .add_local_dir("./data", "/root/data") + .add_local_dir("./src", "/root/src") + .add_local_python_source("made") +) + +app = modal.App("benchmark-runner", image=image) + +# Create a volume for checkpointing episodes +checkpoint_volume = modal.Volume.from_name("benchmark-checkpoints", create_if_missing=True) + +model_checkpoints_volume = modal.Volume.from_name("matopt-checkpoints", create_if_missing=True) + + +def flatten_dict(d, parent_key="", sep="_"): + """ + Flattens a nested dictionary by concatenating keys (for wandb logging of config) + """ + items = [] + for k, v in d.items(): + new_key = parent_key + sep + k if parent_key else k + if isinstance(v, collections.abc.MutableMapping): + items.extend(flatten_dict(v, new_key, sep=sep).items()) + else: + items.append((new_key, v)) + return dict(items) + + +def get_checkpoint_dir() -> Path: + """Get the base checkpoint directory.""" + # Use /checkpoints on Modal, or local ./checkpoints for local execution + if Path("/checkpoints").exists(): + checkpoint_dir = Path("/checkpoints") + else: + checkpoint_dir = Path("./checkpoints") + checkpoint_dir.mkdir(parents=True, exist_ok=True) + return checkpoint_dir + + +def get_checkpoint_path( + episode_id: int, + run_name: str, + system_id: str | None = None +) -> Path: + """Get the checkpoint file path for an episode. + + Structure: /checkpoints/{run_name}/{system_id}/episode_{episode_id:03d}/checkpoint.json + + Checkpoints are organized by run name (top-level), system_id (second level), + and episode ID (subfolder) to prevent conflicts and ensure correct config loading. + """ + checkpoint_dir = get_checkpoint_dir() + if system_id: + episode_dir = checkpoint_dir / run_name / system_id / f"episode_{episode_id:03d}" + else: + episode_dir = checkpoint_dir / run_name / f"episode_{episode_id:03d}" + episode_dir.mkdir(parents=True, exist_ok=True) + checkpoint_file = episode_dir / "checkpoint.json" + return checkpoint_file + + +def find_checkpoint_by_episode( + episode_id: int, + run_name: str, + system_id: str | None = None +) -> tuple[Path | None, dict[str, Any] | None]: + """Find checkpoint by episode_id in the specified run_name folder. + + Returns: + Tuple of (checkpoint_path, checkpoint_data) or (None, None) if not found. + """ + checkpoint_path = get_checkpoint_path(episode_id, run_name, system_id) + if checkpoint_path.exists(): + checkpoint = load_checkpoint(checkpoint_path) + if checkpoint: + return checkpoint_path, checkpoint + return None, None + + +def save_checkpoint( + checkpoint_path: Path, + agent_state: dict[str, Any], + env_state: dict[str, Any], + trajectory: list[dict[str, Any]], + query_count: int, + wandb_run_id: str | None = None, + metrics_history: list[dict[str, Any]] | None = None, + config: DictConfig | None = None, +) -> None: + """Save checkpoint with agent state, env state, trajectory, wandb run ID, metrics history, and config.""" + checkpoint = { + "agent_state": agent_state, + "env_state": env_state, + "trajectory": trajectory, + "query_count": query_count, + "wandb_run_id": wandb_run_id, + "metrics_history": metrics_history or [], + } + # Save config if provided (convert DictConfig to dict for JSON serialization) + if config is not None: + checkpoint["config"] = OmegaConf.to_container(config, resolve=False) + # Write atomically by writing to temp file first, then renaming + temp_path = checkpoint_path.with_suffix(".tmp.json") + with open(temp_path, "w") as f: + json.dump(checkpoint, f, indent=2) + temp_path.replace(checkpoint_path) + logger.info(f"Saved checkpoint to {checkpoint_path} (query_count={query_count})") + + +def load_checkpoint(checkpoint_path: Path) -> dict[str, Any] | None: + """Load checkpoint if it exists.""" + if not checkpoint_path.exists(): + return None + try: + with open(checkpoint_path) as f: + checkpoint = json.load(f) + logger.info( + f"Loaded checkpoint from {checkpoint_path} (query_count={checkpoint.get('query_count', 0)})" + ) + return checkpoint + except Exception as e: + logger.warning(f"Failed to load checkpoint from {checkpoint_path}: {e}") + return None + + +def restore_environment_from_trajectory( + env, trajectory: list[dict[str, Any]] +) -> None: + """Restore environment state by replaying trajectory. + + Note: The environment's oracle will be called again during replay. + If the oracle is deterministic and/or has caching, results should match. + """ + logger.info(f"Restoring environment from trajectory with {len(trajectory)} steps") + # Reset environment first + env.reset() + + # Replay each step in the trajectory + for obs_dict in trajectory: + # Reconstruct Structure from dict + proposal_dict = obs_dict["proposal"] + if isinstance(proposal_dict, dict): + proposal = Structure.from_dict(proposal_dict) + else: + proposal = proposal_dict + + # Step the environment with the proposal + # The environment will call oracle.evaluate again, but if the oracle + # is deterministic or has caching, results should match the original trajectory. + env.step(proposal) + + logger.info(f"Environment restored: query_count={env.query_count}") + + +@app.function( + gpu="T4", + volumes={"/checkpoints": checkpoint_volume, "/ckpts": model_checkpoints_volume}, + secrets=[ + modal.Secret.from_name("materials-project-api-key"), + modal.Secret.from_name("wandb-api-key"), + modal.Secret.from_name("anthropic-api-key"), + modal.Secret.from_name("openai-api-key"), + ], + timeout=60 * 60 * 24, +) +def run_episode( + config: DictConfig, + episode_id: int = 0, + wandb_run_name: str = "benchmark", + system_id: str | None = None, +) -> None: + """Run a single episode on a modal cluster. + + Args: + config: Hydra config + episode_id: Episode number + wandb_run_name: Wandb run name (or timestamp when wandb is disabled) + system_id: System identifier (e.g., "Co-Nb-Sn") + """ + + # Configure logging level from config + log_level = config.experiment.get("logging_level", "INFO") + logging.basicConfig( + level=getattr(logging, log_level.upper(), logging.INFO), + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + force=True, # Override any existing handlers + ) + + # Check for existing checkpoint first to get wandb run ID if resuming + checkpoint_path, checkpoint = find_checkpoint_by_episode(episode_id, wandb_run_name, system_id) + wandb_run_id = None + + if checkpoint is not None: + # Found a checkpoint + if checkpoint.get("wandb_run_id"): + wandb_run_id = checkpoint["wandb_run_id"] + + # Initialize wandb for this episode if enabled + if config.logger.get("use_wandb", False): + # Finish any active run before starting/resuming + if wandb.run is not None: + wandb.finish() + + if wandb_run_id: + # Resume existing wandb run + logger.info(f"Resuming wandb run with ID: {wandb_run_id}") + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + resume="must", + id=wandb_run_id, + settings=wandb.Settings(code_dir="."), + ) + else: + # Start new wandb run + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + group=wandb_run_name, + name=f"{wandb_run_name}_ep_{episode_id}" + if system_id is None + else f"{wandb_run_name}_{system_id}_ep_{episode_id}", + tags=config.logger.get("wandb_tags", ["benchmark", "episode"]), + reinit=True, + settings=wandb.Settings(code_dir="."), + ) + wandb_run_id = wandb.run.id + wandb.config.update(flatten_dict(OmegaConf.to_container(config, resolve=False))) + + # Set checkpoint_path if not already set (for new episodes or when no checkpoint found) + if checkpoint_path is None: + checkpoint_path = get_checkpoint_path(episode_id, wandb_run_name, system_id) + + # Build components via Hydra + dataset = instantiate(config.dataset) + oracle = instantiate(config.oracle) + env = instantiate(config.environment, dataset=dataset, oracle=oracle) + agent = instantiate(config.agent) + results = { + "metrics": {}, + "trajectory": [], + "phase_diagram_gt": [e.as_dict() for e in env.ground_truth_pd.all_entries], + } + + if checkpoint is not None: + # Resume from checkpoint + logger.info(f"Resuming episode {episode_id} from checkpoint") + trajectory = checkpoint["trajectory"] + query_count = checkpoint["query_count"] + + # Restore environment by replaying trajectory + restore_environment_from_trajectory(env, trajectory) + + # Restore agent state + agent.load_state(checkpoint["agent_state"]) + logger.info(f"Restored agent state: last_step={agent.last_step}") + + # Note: Metrics don't need to be re-logged to wandb as they are already saved + # when we resume the wandb run, it will have all previously logged metrics + else: + # Start fresh + logger.info(f"Starting new episode {episode_id}") + trajectory: list[dict[str, Any]] = [] + query_count = 0 + + tmp_trajectory_file = Path(f"./trajectory_episode_{episode_id:03d}.json") + try: + while not env.is_done(): + state = env.get_state() + _, struct = agent(state) + obs, _ = env.step(struct) + obs["proposal"] = obs["proposal"].as_dict() + trajectory.append(obs) + query_count += 1 + + # Save checkpoint after each step + agent_state = agent.get_state() + env_state = env.get_state() + # Get metrics history from environment if available + metrics_history = None + if hasattr(env, "get_metrics_history"): + metrics_history = env.get_metrics_history() + save_checkpoint(checkpoint_path, agent_state, env_state, trajectory, query_count, wandb_run_id, metrics_history, config) + # Commit volume to persist checkpoint (only on Modal) + try: + checkpoint_volume.commit() + except NameError: + # checkpoint_volume not available (local execution) + pass + + with open(tmp_trajectory_file, "w") as f: + json.dump(trajectory, f, indent=2) + if config.experiment.verbose: + logger.info(f"Observation: {obs}") + logger.info( + f"Metrics: {json.dumps(env.get_latest_metrics(), indent=2)}" + ) + + # Log step-level metrics to wandb + if config.logger.get("use_wandb", False): + step_metrics = {"episode_id": episode_id, "query_count": query_count} + # Log any numeric values from the observation, convert bool to int + for k, v in obs.items(): + if isinstance(v, (int, float)): + step_metrics[f"obs/{k}"] = float(v) + elif isinstance(v, bool): + step_metrics[f"obs/{k}"] = int(v) + # log overall metrics + for k, v in env.get_latest_metrics().items(): + if isinstance(v, (int, float)): + step_metrics[f"overall/{k}"] = float(v) + elif isinstance(v, bool): + step_metrics[f"overall/{k}"] = int(v) + wandb.log(step_metrics) + wandb.save(tmp_trajectory_file, policy="live") + except KeyboardInterrupt: + import traceback + logger.warning( + f"Keyboard interrupt, stopping episode part way through. Stack trace: {traceback.format_exc()}" + ) + # Save checkpoint before exiting + agent_state = agent.get_state() + env_state = env.get_state() + metrics_history = None + if hasattr(env, "get_metrics_history"): + metrics_history = env.get_metrics_history() + save_checkpoint(checkpoint_path, agent_state, env_state, trajectory, query_count, wandb_run_id, metrics_history, config) + try: + checkpoint_volume.commit() + except NameError: + pass + logger.info("Checkpoint saved before exit") + + final_metrics = {"episode_id": episode_id} + final_metrics.update( + { + f"final/{k}": v + for k, v in env.get_latest_metrics().items() + if isinstance(v, (int, float)) + } + ) + logger.info(f"Final metrics: {json.dumps(final_metrics, indent=2)}") + results["metrics"] = final_metrics + results["trajectory"] = trajectory + results["final_env_state"] = ( + env.get_state() + ) # final state is the final phase diagram + # results["final_agent_state"] = agent.get_state() + + # Log final episode metrics to wandb + if config.logger.get("use_wandb", False): + wandb.log(final_metrics) + wandb.finish() + + # Clean up checkpoint file after successful completion + if checkpoint_path.exists(): + checkpoint_path.unlink() + logger.info(f"Removed checkpoint file {checkpoint_path} after successful completion") + try: + checkpoint_volume.commit() + except NameError: + pass + + return results + + +@hydra.main(version_base=None, config_path="../configs", config_name="config") +def run_benchmark(config: DictConfig) -> None: + """Run benchmark defined by Hydra config. + Args: + config: Hydra DictConfig with groups: dataset, oracle, env, agent, experiment + """ + dotenv.load_dotenv() + + # Configure logging level from config + log_level = config.experiment.get("logging_level", "INFO") + logging.basicConfig( + level=getattr(logging, log_level.upper(), logging.INFO), + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + ) + + if config.experiment.get("seed", None): + random.seed(int(config.experiment.seed)) + np.random.seed(int(config.experiment.seed)) + + # Initialize main wandb run for the entire benchmark + if config.logger.get("use_wandb", False): + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + tags=config.logger.get("wandb_tags", ["benchmark"]), + name=config.logger.get("wandb_run_name", None), + ) + wandb.config.update(flatten_dict(OmegaConf.to_container(config, resolve=False))) + wandb_run_name = wandb.run.name + wandb_run_id = wandb.run.id + else: + # Use timestamp as run name for checkpoint path when wandb is disabled + wandb_run_name = datetime.now().strftime("%Y%m%d_%H%M%S") + + out_dir = Path(config.experiment.output_dir) + os.makedirs(out_dir, exist_ok=True) + + # Run episodes + num_episodes = int(config.experiment.get("num_episodes", 1)) + per_episode: list[dict[str, Any]] = [] + trajectories_dir = out_dir / "trajectories" + trajectories_dir.mkdir(parents=True, exist_ok=True) + summary_dir = out_dir / "summary" + summary_dir.mkdir(parents=True, exist_ok=True) + + try: + # run episodes in parallel + if config.experiment.infra == "modal": + with modal.enable_output(): + with app.run(): + # Create arguments with episode IDs for each episode + episode_args = [ + (config, ep, wandb_run_name, None) for ep in range(num_episodes) + ] + for ep, result in enumerate(run_episode.starmap(episode_args)): + per_episode.append(result.get("metrics", {})) + # Save trajectory and phase diagram per episode + with open( + trajectories_dir / f"episode_{ep:03d}.json", "w" + ) as f_traj: + json.dump(result, f_traj, indent=2) + # can load phase diagram from the final state + phase_diagram = PhaseDiagram( + [ + PDEntry.from_dict(e) + for e in result["final_env_state"][ + "phase_diagram_all_entries" + ] + ] + ) + # Only plot phase diagrams with 4 or fewer elements + num_elements = len(result["final_env_state"].get("elements", [])) + if num_elements <= 4: + fig = phase_diagram.get_plot( + backend="plotly", show_unstable=1.0 + ) + fig.write_image( + trajectories_dir / f"phase_diagram_episode_{ep:03d}.png" + ) + else: + for ep in tqdm.trange(num_episodes, desc="Running episodes"): + result = run_episode.local( + config, ep, wandb_run_name=wandb_run_name, system_id=None + ) + per_episode.append(result.get("metrics", {})) + # Save trajectory and phase diagram per episode + with open(trajectories_dir / f"episode_{ep:03d}.json", "w") as f_traj: + json.dump(result, f_traj, indent=2) + # can load phase diagram from the final state + phase_diagram = PhaseDiagram( + [ + PDEntry.from_dict(e) + for e in result["final_env_state"]["phase_diagram_all_entries"] + ] + ) + # Only plot phase diagrams with 4 or fewer elements + num_elements = len(result["final_env_state"].get("elements", [])) + if num_elements <= 4: + fig = phase_diagram.get_plot(backend="plotly", show_unstable=1.0) + fig.write_image( + trajectories_dir / f"phase_diagram_episode_{ep:03d}.png" + ) + except KeyboardInterrupt: + import traceback + + logger.warning( + f"Keyboard interrupt, stopping benchmark part way through. Stack trace: {traceback.format_exc()}" + ) + + # save ground truth phase diagram too (only for systems with 4 or fewer elements) + num_elements = len(result["final_env_state"].get("elements", [])) + if num_elements <= 4: + phase_diagram_gt = PhaseDiagram( + [PDEntry.from_dict(e) for e in result["phase_diagram_gt"]] + ) + fig = phase_diagram_gt.get_plot(backend="plotly", show_unstable=1.0) + fig.write_image(summary_dir / "phase_diagram_gt.png") + + # Write episodes metrics to JSON (array) + with open(summary_dir / "episodes.json", "w") as f_json: + json.dump(per_episode, f_json, indent=2) + + # Also write episodes metrics to CSV + # Determine all keys present across episodes for consistent columns + all_keys: list[str] = sorted({k for m in per_episode for k in m.keys()}) + with open(summary_dir / "episodes.csv", "w", newline="") as f_csv: + writer = csv.DictWriter(f_csv, fieldnames=all_keys) + writer.writeheader() + for row in per_episode: + writer.writerow(row) + + # Aggregate metrics: automatically include all numeric final/* keys across episodes + def collect(name: str) -> list[float]: + vals: list[float] = [] + for m in per_episode: + if name in m and isinstance(m[name], (int, float)): + vals.append(float(m[name])) + return vals + + all_final_keys = sorted( + {k for m in per_episode for k in m.keys() if k.startswith("final/")} + ) + summary: dict[str, dict[str, float]] = {} + for k in all_final_keys: + values = collect(k) + if values: + arr = np.array(values, dtype=float) + n = len(arr) + summary[k] = { + "mean": float(np.mean(arr)), + "std": float(np.std(arr)), + "sem": float(np.std(arr) / np.sqrt(n)) if n > 0 else 0.0, + } + + with open(summary_dir / "summary.json", "w") as f: + json.dump({"episodes": len(per_episode), "summary": summary}, f, indent=2) + + # Log summary statistics and phase diagram images to wandb + if config.logger.get("use_wandb", False): + # Finish any active run before resuming the overall run + if wandb.run is not None: + wandb.finish() + + # resume the overall run + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + resume="must", + id=wandb_run_id, + ) + wandb.log( + { + f"phase_diagram/episode_{ep:03d}": wandb.Image( + str(trajectories_dir / f"phase_diagram_episode_{ep:03d}.png") + ) + for ep in range(num_episodes) + if os.path.exists( + trajectories_dir / f"phase_diagram_episode_{ep:03d}.png" + ) + } + ) + if os.path.exists(summary_dir / "phase_diagram_gt.png"): + wandb.log( + { + "phase_diagram/ground_truth": wandb.Image( + str(summary_dir / "phase_diagram_gt.png") + ) + } + ) + + # Create summary table for wandb + summary_table = wandb.Table( + columns=["metric", "mean", "std", "sem"], + data=[[k, v["mean"], v["std"], v["sem"]] for k, v in summary.items()], + ) + wandb.log({"summary_table": summary_table}) + # save all files in output directory to wandb + wandb.save(f"{str(trajectories_dir)}/*", base_path=str(out_dir), policy="live") + wandb.save(f"{str(summary_dir)}/*", base_path=str(out_dir), policy="live") + + wandb.finish() + + logger.info(f"Summary results: {json.dumps(summary, indent=2)}") + logger.info( + f"Saved results to {config.experiment.output_dir} (episodes.json, episodes.csv, summary.json, trajectories/*.json)" + ) + + +if __name__ == "__main__": + os.environ["HYDRA_FULL_ERROR"] = "1" + run_benchmark() diff --git a/scripts/run_multi_systems.py b/scripts/run_multi_systems.py new file mode 100644 index 0000000..641a888 --- /dev/null +++ b/scripts/run_multi_systems.py @@ -0,0 +1,340 @@ +""" +Multi-system benchmark runner. + +Reads a list of chemical systems from config.experiment.systems (list of lists of elements), +runs the existing benchmark episode loop per system via the run_benchmark.run_episode function +on local or Modal infra, saves per-system outputs, and aggregates metrics across systems. +""" + +import csv +import importlib.util +import json +import logging +import os +from datetime import datetime +from pathlib import Path +from typing import Any + +import dotenv +import hydra +import modal +import numpy as np +import tqdm.auto as tqdm +from omegaconf import DictConfig, OmegaConf +from pymatgen.analysis.phase_diagram import PDEntry, PhaseDiagram + +import wandb + +logger = logging.getLogger(__name__) + + +def _import_run_benchmark(): + """Dynamically import run_benchmark.py so script can be invoked directly.""" + script_path = Path(__file__).resolve().parent / "run_benchmark.py" + spec = importlib.util.spec_from_file_location("run_benchmark", str(script_path)) + if spec is None or spec.loader is None: + raise ImportError("Could not load run_benchmark.py") + module = importlib.util.module_from_spec(spec) + spec.loader.exec_module(module) # type: ignore + return module + + +def flatten_dict(d, parent_key="", sep="_"): + items = [] + for k, v in d.items(): + new_key = parent_key + sep + k if parent_key else k + if isinstance(v, dict): + items.extend(flatten_dict(v, new_key, sep=sep).items()) + else: + items.append((new_key, v)) + return dict(items) + + +def aggregate_metrics(per_episode: list[dict[str, Any]]) -> dict[str, dict[str, float]]: + def collect(name: str) -> list[float]: + vals: list[float] = [] + for m in per_episode: + if name in m and isinstance(m[name], (int, float)): + vals.append(float(m[name])) + return vals + + all_final_keys = sorted( + {k for m in per_episode for k in m.keys() if k.startswith("final/")} + ) + summary: dict[str, dict[str, float]] = {} + for k in all_final_keys: + values = collect(k) + if values: + arr = np.array(values, dtype=float) + n = len(arr) + summary[k] = { + "mean": float(np.mean(arr)), + "std": float(np.std(arr)), + "sem": float(np.std(arr) / np.sqrt(n)) if n > 0 else 0.0, + } + return summary + + +@hydra.main(version_base=None, config_path="../configs", config_name="config") +def run_multi_systems(config: DictConfig) -> None: + dotenv.load_dotenv() + + # Configure logging level from config + log_level = config.experiment.get("logging_level", "INFO") + logging.basicConfig( + level=getattr(logging, log_level.upper(), logging.INFO), + format="[%(asctime)s] [%(levelname)s] [%(name)s] %(message)s", + datefmt="%Y-%m-%d %H:%M:%S", + ) + + # clear elements from config + config.dataset.elements = [] + + rb = _import_run_benchmark() + + if config.logger.get("use_wandb", False): + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + tags=config.logger.get("wandb_tags", ["benchmark", "multi-system"]), + ) + wandb.config.update(flatten_dict(OmegaConf.to_container(config, resolve=False))) + wandb_run_name = wandb.run.name + wandb_run_id = wandb.run.id + else: + wandb_run_id = None + # Use timestamp as run name for checkpoint path when wandb is disabled + wandb_run_name = datetime.now().strftime("%Y%m%d_%H%M%S") + + out_dir = Path(config.experiment.output_dir) + os.makedirs(out_dir, exist_ok=True) + + # Load systems either directly from config or from systems_file (JSON) + systems: list[list[str]] = [] + if config.experiment.get("systems_file", None): + systems_file = Path(config.experiment.systems_file) + with open(systems_file) as f: + systems = [list(s) for s in json.load(f)] + else: + systems = [list(s) for s in config.experiment.get("systems", [])] + + # Optional cap on number of systems + max_systems = config.experiment.get("max_systems", None) + if max_systems is not None: + systems = systems[: int(max_systems)] + if not systems: + raise ValueError( + "experiment.systems must be a non-empty list of element lists, e.g., [[Co, Nb, Sn], [Li, O]]" + ) + + systems_dir = out_dir / "systems" + systems_dir.mkdir(parents=True, exist_ok=True) + + all_episodes_across_systems: list[dict[str, Any]] = [] + per_system_summaries: dict[str, dict[str, dict[str, float]]] = {} + + # Iterate systems and run episodes per system using run_episode + try: + for sys_idx, elements in enumerate(systems): + system_id = "-".join(elements) + logger.info(f"Running system {sys_idx + 1}/{len(systems)}: {system_id}") + + # Duplicate config and override dataset elements + cfg_this = OmegaConf.create(OmegaConf.to_container(config, resolve=False)) + cfg_this.dataset.elements = list(elements) + + # Prepare directories + system_dir = systems_dir / system_id + trajectories_dir = system_dir / "trajectories" + summary_dir = system_dir / "summary" + trajectories_dir.mkdir(parents=True, exist_ok=True) + summary_dir.mkdir(parents=True, exist_ok=True) + + num_episodes = int(cfg_this.experiment.get("num_episodes", 1)) + per_episode: list[dict[str, Any]] = [] + + try: + if cfg_this.experiment.infra == "modal": + with modal.enable_output(): + with rb.app.run(): + episode_args = [ + (cfg_this, ep, wandb_run_name, system_id) + for ep in range(num_episodes) + ] + for ep, result in enumerate( + rb.run_episode.starmap(episode_args) + ): + per_episode.append(result.get("metrics", {})) + # Save trajectory and per-episode PD image + with open( + trajectories_dir / f"episode_{ep:03d}.json", "w" + ) as f_traj: + json.dump(result, f_traj, indent=2) + # Only plot phase diagrams with 4 or fewer elements + num_elements = len(result["final_env_state"].get("elements", [])) + if num_elements <= 4: + phase_diagram = PhaseDiagram( + [ + PDEntry.from_dict(e) + for e in result["final_env_state"][ + "phase_diagram_all_entries" + ] + ] + ) + fig = phase_diagram.get_plot( + backend="plotly", show_unstable=1.0 + ) + fig.write_image( + trajectories_dir + / f"phase_diagram_episode_{ep:03d}.png" + ) + else: + for ep in tqdm.trange(num_episodes, desc=f"Episodes ({system_id})"): + result = rb.run_episode.local( + cfg_this, + ep, + wandb_run_name=wandb_run_name, + system_id=system_id, + ) + per_episode.append(result.get("metrics", {})) + with open( + trajectories_dir / f"episode_{ep:03d}.json", "w" + ) as f_traj: + json.dump(result, f_traj, indent=2) + # Only plot phase diagrams with 4 or fewer elements + num_elements = len(result["final_env_state"].get("elements", [])) + if num_elements <= 4: + phase_diagram = PhaseDiagram( + [ + PDEntry.from_dict(e) + for e in result["final_env_state"][ + "phase_diagram_all_entries" + ] + ] + ) + fig = phase_diagram.get_plot( + backend="plotly", show_unstable=1.0 + ) + fig.write_image( + trajectories_dir / f"phase_diagram_episode_{ep:03d}.png" + ) + except KeyboardInterrupt: + import traceback + + logger.warning( + f"Keyboard interrupt, stopping benchmark part way through. Stack trace: {traceback.format_exc()}" + ) + + # Save ground truth phase diagram image from any episode's stored GT entries + # Only plot phase diagrams with 4 or fewer elements + if len(elements) <= 4: + with open(trajectories_dir / f"episode_{0:03d}.json") as f_first: + first_result = json.load(f_first) + phase_diagram_gt = PhaseDiagram( + [PDEntry.from_dict(e) for e in first_result["phase_diagram_gt"]] + ) + fig_gt = phase_diagram_gt.get_plot(backend="plotly", show_unstable=1.0) + fig_gt.write_image(summary_dir / "phase_diagram_gt.png") + + # Write per-system episodes metrics + with open(summary_dir / "episodes.json", "w") as f_json: + json.dump(per_episode, f_json, indent=2) + all_keys: list[str] = sorted({k for m in per_episode for k in m.keys()}) + with open(summary_dir / "episodes.csv", "w", newline="") as f_csv: + writer = csv.DictWriter(f_csv, fieldnames=all_keys) + writer.writeheader() + for row in per_episode: + writer.writerow(row) + + # Per-system summary + system_summary = aggregate_metrics(per_episode) + with open(summary_dir / "summary.json", "w") as f_sum: + json.dump( + {"episodes": len(per_episode), "summary": system_summary}, + f_sum, + indent=2, + ) + + # Track for overall aggregation + all_episodes_across_systems.extend(per_episode) + per_system_summaries[system_id] = system_summary + + # Minimal wandb logging + if config.logger.get("use_wandb", False): + if os.path.exists(summary_dir / "phase_diagram_gt.png"): + wandb.log( + { + f"{system_id}/phase_diagram/ground_truth": wandb.Image( + str(summary_dir / "phase_diagram_gt.png") + ) + } + ) + except KeyboardInterrupt: + import traceback + + logger.warning( + f"Keyboard interrupt, stopping benchmark part way through. Stack trace: {traceback.format_exc()}" + ) + + # Overall aggregation across systems + overall_summary = aggregate_metrics(all_episodes_across_systems) + overall_dir = out_dir / "overall_summary" + overall_dir.mkdir(parents=True, exist_ok=True) + with open(overall_dir / "summary.json", "w") as f_overall: + json.dump( + { + "systems": ["-".join(s) for s in systems], + "episodes_total": len(all_episodes_across_systems), + "summary": overall_summary, + }, + f_overall, + indent=2, + ) + + # Per-system summary CSV + per_system_csv = overall_dir / "per_system_summary.csv" + metric_keys = sorted({k for s in per_system_summaries.values() for k in s.keys()}) + with open(per_system_csv, "w", newline="") as f_csv: + writer = csv.writer(f_csv) + writer.writerow(["system", "metric", "mean", "std", "sem"]) + for sys_id, metrics in per_system_summaries.items(): + for k in metric_keys: + if k in metrics: + v = metrics[k] + writer.writerow( + [ + sys_id, + k, + v.get("mean", ""), + v.get("std", ""), + v.get("sem", ""), + ] + ) + + if config.logger.get("use_wandb", False): + # resume overall run to add an overall table + wandb.init( + project=config.logger.get("wandb_project", "made-benchmark"), + entity=config.logger.get("wandb_entity", None), + resume="must", + id=wandb_run_id, + ) + overall_table = wandb.Table( + columns=["metric", "mean", "std", "sem"], + data=[ + [k, v["mean"], v["std"], v["sem"]] for k, v in overall_summary.items() + ], + ) + wandb.log({"overall_summary_table": overall_table}) + # save recursively + wandb.save(f"{str(systems_dir)}/*/*/*", base_path=str(out_dir), policy="live") + wandb.save(f"{str(overall_dir)}/*", base_path=str(out_dir), policy="live") + wandb.finish() + + logger.info(f"Overall summary: {json.dumps(overall_summary, indent=2)}") + logger.info(f"Saved per-system and overall results under {str(out_dir)}") + + +if __name__ == "__main__": + os.environ["HYDRA_FULL_ERROR"] = "1" + run_multi_systems() diff --git a/tests/dummy_test.py 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